***************** * O R C A * ***************** --- An Ab Initio, DFT and Semiempirical electronic structure package --- ######################################################## # -***- # # Developed by Frank Neese # # Lehrstuhl fuer Theoretische Chemie # # Institut fuer Physikalische und Theoretische Chemie # # Universitaet Bonn # # Germany # # theochem@thch.uni-bonn.de # # # # All rights reserved # # -***- # ######################################################## Program Version 2.8 - STABLE - With contributions from (in alphabetic order): Ute Becker : Parallelization Dmitry Ganyushin : Spin-Orbit,Spin-Spin,Magnetic field MRCI Andreas Hansen : Spin unrestricted coupled pair/coupled cluster methods Dimitrios Liakos : Parallel MDCI Christian Kollmar : KDIIS, orbital optimized coupled pair methods Simone Kossmann : meta GGA functionals, improved MP2 methods Taras Petrenko : TD-DFT gradient, Resonance Raman, ABS, fluorescence, XAS, NRVS Christoph Reimann : Effective Core Potentials Christoph Riplinger : Improved optimizer, TS searches, QM/MM Kantharuban Sivalingam : CASSCF and multireference perturbation theory Boris Wezisla : Elementary symmetry handling Frank Wennmohs : Technical directorship We gratefully acknowledge several collegues who have allowed us to interface, adapt or use parts of their codes: Stefan Grimme : VdW corrections, initial TS optimization and many helpful discussions Ed Valeev : LibInt (2-el integral package) Andreas Klamt, Michael Diedenhofen : otool_cosmo (COSMO solvation model) Frank Weinhold : gennbo (NPA and NBO analysis) Your calculation utilizes the basis: Ahlrichs-TZV Cite in your paper: H - Kr: A. Schaefer, H. Horn and R. Ahlrichs, J. Chem. Phys. 97, 2571 (1992). The def2-TZV basis will be loaded Cite in your paper: F. Weigend, R. Ahlrichs, Phys. Chem. Chem. Phys. 2005, 7, 3297. Your calculation utilizes the basis: Ahlrichs-TZV Cite in your paper: H - Kr: A. Schaefer, H. Horn and R. Ahlrichs, J. Chem. Phys. 97, 2571 (1992). The def2-TZV basis will be loaded Cite in your paper: F. Weigend, R. Ahlrichs, Phys. Chem. Chem. Phys. 2005, 7, 3297. Your calculation utilizes empirical Van der Waals Correction Cite in your paper: S.Grimme, J.Comput.Chem., 27, (2006), 1787-1799 ================================================================================ WARNINGS Please study these warnings very carefully! ================================================================================ INFO : the flag for use of LIBINT has been found! ================================================================================ INPUT FILE ================================================================================ NAME = 2rh2acetate2aq_bs.inp | 1> ! uks tpssh rijcosx def2-tzvp def2-tzvp/j tightscf vdw cosmo(water) | 2> ! PrintBasis def2-tzvp | 3> %scf | 4> flipspin 1 | 5> finalms 0 | 6> end | 7> %output | 8> print[p_mos] 1 | 9> end | 10> * xyz 0 3 | 11> Rh 1.1403420000 0.2067990000 -0.3649840000 | 12> Rh -1.1392410000 -0.2083020000 0.3677180000 | 13> C -0.6662860000 -2.3272410000 -3.4080760000 | 14> C -1.2975980000 3.3973890000 -2.0601600000 | 15> C -0.4121300000 -1.5017710000 -2.1706790000 | 16> C -0.8275170000 2.1591680000 -1.3374950000 | 17> C 0.8286500000 -2.1608640000 1.3397680000 | 18> C 0.4122800000 1.5017370000 2.1724180000 | 19> C 1.2989600000 -3.3990680000 2.0623410000 | 20> C 0.6647980000 2.3311750000 3.4075240000 | 21> H 0.2666370000 -2.5004190000 -3.9586710000 | 22> H -1.3792170000 -1.7900000000 -4.0537310000 | 23> H -1.1243770000 -3.2854460000 -3.1248220000 | 24> H -0.5351980000 3.7470620000 -2.7672530000 | 25> H -2.2407440000 3.1896610000 -2.5848700000 | 26> H -1.4911840000 4.1869610000 -1.3166860000 | 27> H 3.4133720000 0.1496600000 -1.9928390000 | 28> H 3.9436050000 0.0172180000 -0.5535320000 | 29> H -3.9439490000 -0.0371440000 0.5403490000 | 30> H -3.4194420000 -0.1330600000 1.9846170000 | 31> H 1.5000450000 -4.1860550000 1.3181860000 | 32> H 2.2381800000 -3.1888280000 2.5931550000 | 33> H 0.5337220000 -3.7531350000 2.7641740000 | 34> H 1.1092470000 3.2946020000 3.1198070000 | 35> H 1.3887870000 1.8038720000 4.0488710000 | 36> H -0.2664270000 2.4942240000 3.9637520000 | 37> O 0.7514960000 -0.9802910000 -2.0324790000 | 38> O 0.4215400000 1.8779390000 -1.3919210000 | 39> O -1.3878740000 -1.3729700000 -1.3499000000 | 40> O 3.3561730000 0.5611900000 -1.1103140000 | 41> O -1.7159270000 1.4858270000 -0.7030170000 | 42> O 1.7170570000 -1.4876660000 0.7050610000 | 43> O -3.3550820000 -0.5639370000 1.1118560000 | 44> O 1.3886650000 1.3716930000 1.3526220000 | 45> O -0.4203200000 -1.8794320000 1.3945630000 | 46> O -0.7510460000 0.9794660000 2.0346440000 | 47> * | 48> | 49> ****END OF INPUT**** ================================================================================ **************************** * Single Point Calculation * **************************** --------------------------------- CARTESIAN COORDINATES (ANGSTROEM) --------------------------------- Rh 1.140342 0.206799 -0.364984 Rh -1.139241 -0.208302 0.367718 C -0.666286 -2.327241 -3.408076 C -1.297598 3.397389 -2.060160 C -0.412130 -1.501771 -2.170679 C -0.827517 2.159168 -1.337495 C 0.828650 -2.160864 1.339768 C 0.412280 1.501737 2.172418 C 1.298960 -3.399068 2.062341 C 0.664798 2.331175 3.407524 H 0.266637 -2.500419 -3.958671 H -1.379217 -1.790000 -4.053731 H -1.124377 -3.285446 -3.124822 H -0.535198 3.747062 -2.767253 H -2.240744 3.189661 -2.584870 H -1.491184 4.186961 -1.316686 H 3.413372 0.149660 -1.992839 H 3.943605 0.017218 -0.553532 H -3.943949 -0.037144 0.540349 H -3.419442 -0.133060 1.984617 H 1.500045 -4.186055 1.318186 H 2.238180 -3.188828 2.593155 H 0.533722 -3.753135 2.764174 H 1.109247 3.294602 3.119807 H 1.388787 1.803872 4.048871 H -0.266427 2.494224 3.963752 O 0.751496 -0.980291 -2.032479 O 0.421540 1.877939 -1.391921 O -1.387874 -1.372970 -1.349900 O 3.356173 0.561190 -1.110314 O -1.715927 1.485827 -0.703017 O 1.717057 -1.487666 0.705061 O -3.355082 -0.563937 1.111856 O 1.388665 1.371693 1.352622 O -0.420320 -1.879432 1.394563 O -0.751046 0.979466 2.034644 ---------------------------- CARTESIAN COORDINATES (A.U.) ---------------------------- NO LB ZA FRAG MASS X Y Z 0 Rh 45.0000 0 102.910 2.154934 0.390793 -0.689720 1 Rh 45.0000 0 102.910 -2.152853 -0.393634 0.694886 2 C 6.0000 0 12.011 -1.259098 -4.397848 -6.440330 3 C 6.0000 0 12.011 -2.452105 6.420135 -3.893138 4 C 6.0000 0 12.011 -0.778813 -2.837936 -4.101989 5 C 6.0000 0 12.011 -1.563781 4.080236 -2.527499 6 C 6.0000 0 12.011 1.565922 -4.083441 2.531795 7 C 6.0000 0 12.011 0.779096 2.837872 4.105275 8 C 6.0000 0 12.011 2.454679 -6.423308 3.897260 9 C 6.0000 0 12.011 1.256286 4.405282 6.439287 10 H 1.0000 0 1.008 0.503871 -4.725107 -7.480804 11 H 1.0000 0 1.008 -2.606342 -3.382610 -7.660441 12 H 1.0000 0 1.008 -2.124765 -6.208593 -5.905058 13 H 1.0000 0 1.008 -1.011378 7.080921 -5.229350 14 H 1.0000 0 1.008 -4.234392 6.027586 -4.884696 15 H 1.0000 0 1.008 -2.817929 7.912210 -2.488176 16 H 1.0000 0 1.008 6.450338 0.282816 -3.765920 17 H 1.0000 0 1.008 7.452333 0.032537 -1.046024 18 H 1.0000 0 1.008 -7.452983 -0.070192 1.021112 19 H 1.0000 0 1.008 -6.461809 -0.251447 3.750383 20 H 1.0000 0 1.008 2.834674 -7.910498 2.491011 21 H 1.0000 0 1.008 4.229547 -6.026012 4.900353 22 H 1.0000 0 1.008 1.008588 -7.092397 5.223532 23 H 1.0000 0 1.008 2.096173 6.225896 5.895581 24 H 1.0000 0 1.008 2.624427 3.408824 7.651257 25 H 1.0000 0 1.008 -0.503474 4.713400 7.490406 26 O 8.0000 0 15.999 1.420122 -1.852482 -3.840829 27 O 8.0000 0 15.999 0.796595 3.548790 -2.630349 28 O 8.0000 0 15.999 -2.622702 -2.594537 -2.550941 29 O 8.0000 0 15.999 6.342248 1.060495 -2.098189 30 O 8.0000 0 15.999 -3.242632 2.807806 -1.328510 31 O 8.0000 0 15.999 3.244767 -2.811281 1.332372 32 O 8.0000 0 15.999 -6.340186 -1.065686 2.101103 33 O 8.0000 0 15.999 2.624197 2.592124 2.556085 34 O 8.0000 0 15.999 -0.794290 -3.551612 2.635342 35 O 8.0000 0 15.999 -1.419271 1.850922 3.844920 -------------------------------- INTERNAL COORDINATES (ANGSTROEM) -------------------------------- Rh 0 0 0 0.000000 0.000 0.000 Rh 1 0 0 2.430156 0.000 0.000 C 1 2 0 4.352663 73.859 0.000 C 2 1 3 4.349790 73.994 269.963 C 3 1 2 1.509022 15.916 357.357 C 4 2 1 1.508778 16.469 3.180 C 1 2 3 2.934137 65.628 269.539 C 2 1 3 2.930596 65.756 180.452 C 7 1 2 1.508792 155.142 176.667 C 8 2 1 1.509046 155.971 182.436 H 3 1 2 1.097037 95.153 188.149 H 3 1 2 1.101712 113.230 74.400 H 3 1 2 1.099198 120.021 305.117 H 4 2 1 1.097044 126.775 17.176 H 4 2 1 1.099089 98.108 140.300 H 4 2 1 1.101659 102.934 250.832 H 1 2 3 2.796398 159.148 3.509 H 17 1 2 1.539575 74.781 217.686 H 2 1 3 2.815224 160.500 283.195 H 19 2 1 1.539551 73.401 220.516 H 9 7 1 1.101613 108.643 288.358 H 9 7 1 1.099135 109.918 46.181 H 9 7 1 1.097052 110.721 168.440 H 10 8 2 1.099321 109.581 227.710 H 10 8 2 1.101605 108.868 110.001 H 10 8 2 1.096884 110.774 349.536 O 5 3 1 1.282601 117.617 357.751 O 6 4 2 1.281482 117.609 183.526 O 5 3 1 1.281540 116.867 177.178 O 18 17 1 0.975186 37.888 309.365 O 6 4 2 1.282662 116.869 2.592 O 7 1 2 1.282699 38.319 180.348 O 19 2 1 0.975139 53.235 184.151 O 8 2 1 1.281524 87.146 0.207 O 7 1 2 1.281457 87.201 359.757 O 8 2 1 1.282605 38.377 179.611 --------------------------- INTERNAL COORDINATES (A.U.) --------------------------- Rh 0 0 0 0.000000 0.000 0.000 Rh 1 0 0 4.592330 0.000 0.000 C 1 2 0 8.225340 73.859 0.000 C 2 1 3 8.219913 73.994 269.963 C 3 1 2 2.851638 15.916 357.357 C 4 2 1 2.851178 16.469 3.180 C 1 2 3 5.544715 65.628 269.539 C 2 1 3 5.538024 65.756 180.452 C 7 1 2 2.851203 155.142 176.667 C 8 2 1 2.851683 155.971 182.436 H 3 1 2 2.073100 95.153 188.149 H 3 1 2 2.081934 113.230 74.400 H 3 1 2 2.077184 120.021 305.117 H 4 2 1 2.073113 126.775 17.176 H 4 2 1 2.076977 98.108 140.300 H 4 2 1 2.081834 102.934 250.832 H 1 2 3 5.284427 159.148 3.509 H 17 1 2 2.909376 74.781 217.686 H 2 1 3 5.320001 160.500 283.195 H 19 2 1 2.909330 73.401 220.516 H 9 7 1 2.081746 108.643 288.358 H 9 7 1 2.077065 109.918 46.181 H 9 7 1 2.073127 110.721 168.440 H 10 8 2 2.077416 109.581 227.710 H 10 8 2 2.081733 108.868 110.001 H 10 8 2 2.072810 110.774 349.536 O 5 3 1 2.423765 117.617 357.751 O 6 4 2 2.421649 117.609 183.526 O 5 3 1 2.421759 116.867 177.178 O 18 17 1 1.842835 37.888 309.365 O 6 4 2 2.423881 116.869 2.592 O 7 1 2 2.423949 38.319 180.348 O 19 2 1 1.842745 53.235 184.151 O 8 2 1 2.421730 87.146 0.207 O 7 1 2 2.421603 87.201 359.757 O 8 2 1 2.423773 38.377 179.611 --------------------- BASIS SET INFORMATION --------------------- There are 4 groups of distinct atoms Group 1 Type Rh : 19s14p9d1f contracted to 8s6p5d1f pattern {84211111/641111/51111/1} Group 2 Type C : 11s6p2d1f contracted to 5s3p2d1f pattern {62111/411/11/1} Group 3 Type H : 5s1p contracted to 3s1p pattern {311/1} Group 4 Type O : 11s6p2d1f contracted to 5s3p2d1f pattern {62111/411/11/1} Atom 0Rh basis set group => 1 Atom 1Rh basis set group => 1 Atom 2C basis set group => 2 Atom 3C basis set group => 2 Atom 4C basis set group => 2 Atom 5C basis set group => 2 Atom 6C basis set group => 2 Atom 7C basis set group => 2 Atom 8C basis set group => 2 Atom 9C basis set group => 2 Atom 10H basis set group => 3 Atom 11H basis set group => 3 Atom 12H basis set group => 3 Atom 13H basis set group => 3 Atom 14H basis set group => 3 Atom 15H basis set group => 3 Atom 16H basis set group => 3 Atom 17H basis set group => 3 Atom 18H basis set group => 3 Atom 19H basis set group => 3 Atom 20H basis set group => 3 Atom 21H basis set group => 3 Atom 22H basis set group => 3 Atom 23H basis set group => 3 Atom 24H basis set group => 3 Atom 25H basis set group => 3 Atom 26O basis set group => 4 Atom 27O basis set group => 4 Atom 28O basis set group => 4 Atom 29O basis set group => 4 Atom 30O basis set group => 4 Atom 31O basis set group => 4 Atom 32O basis set group => 4 Atom 33O basis set group => 4 Atom 34O basis set group => 4 Atom 35O basis set group => 4 ------------------------- BASIS SET IN INPUT FORMAT ------------------------- # Basis set for element : H NewGTO H S 3 1 34.0613410000 0.0254393072 2 5.1235746000 0.1900859489 3 1.1646626000 0.8524411301 S 1 1 0.3272304100 1.0000000000 S 1 1 0.1030724100 1.0000000000 P 1 1 0.8000000000 1.0000000000 end; # Basis set for element : C NewGTO C S 6 1 13575.3496820000 0.0006064549 2 2035.2333680000 0.0046979088 3 463.2256235900 0.0243324776 4 131.2001959800 0.0973999683 5 42.8530158910 0.3019558425 6 15.5841857660 0.6623360915 S 2 1 6.2067138508 0.6559530854 2 2.5764896527 0.3758563329 S 1 1 0.5769633942 1.0000000000 S 1 1 0.2297283136 1.0000000000 S 1 1 0.0951644400 1.0000000000 P 4 1 34.6972322440 0.0113272200 2 7.9582622826 0.0761696592 3 2.3780826883 0.3019225220 4 0.8143320818 0.7278502735 P 1 1 0.2888754725 1.0000000000 P 1 1 0.1005682367 1.0000000000 D 1 1 1.0970000000 1.0000000000 D 1 1 0.3180000000 1.0000000000 F 1 1 0.7610000000 1.0000000000 end; # Basis set for element : O NewGTO O S 6 1 27032.3826310000 0.0005722733 2 4052.3871392000 0.0044353233 3 922.3272271000 0.0230201076 4 261.2407098900 0.0928224906 5 85.3546413510 0.2937850002 6 31.0350352450 0.6740160450 S 2 1 12.2608607280 0.6383993702 2 4.9987076005 0.3953458713 S 1 1 1.1703108158 1.0000000000 S 1 1 0.4647474099 1.0000000000 S 1 1 0.1850453636 1.0000000000 P 4 1 63.2749548010 0.0120183321 2 14.6270493790 0.0830054217 3 4.4501223456 0.3199174393 4 1.5275799647 0.7071554292 P 1 1 0.5293511794 1.0000000000 P 1 1 0.1747842127 1.0000000000 D 1 1 2.3140000000 1.0000000000 D 1 1 0.6450000000 1.0000000000 F 1 1 1.4280000000 1.0000000000 end; # Basis set for element : Rh NewGTO Rh S 8 1 979022.5326700000 0.0002189635 2 146754.5010900000 0.0016982759 3 33398.4116710000 0.0088417258 4 9454.1599138000 0.0360845777 5 3079.3778361000 0.1187632687 6 1109.9164284000 0.2873384474 7 432.5753088700 0.4354470338 8 171.4922805100 0.2553587840 S 4 1 1003.6316452000 -0.0265400221 2 313.5096284800 -0.1234337994 3 55.3944392220 0.5189687153 4 25.4863781440 0.5697547968 S 2 1 37.5066845800 -0.8110250794 2 7.9414647953 1.3307714708 S 1 1 4.8583113217 1.0000000000 S 1 1 1.7382814040 1.0000000000 S 1 1 0.7283215260 1.0000000000 S 1 1 0.1060525093 1.0000000000 S 1 1 0.0415014916 1.0000000000 P 6 1 5565.2128960000 0.0023476598 2 1319.1427258000 0.0194423110 3 425.2233332000 0.0945340737 4 160.2464521100 0.2851569271 5 65.0109204900 0.4807899170 6 26.9474620280 0.2892229215 P 4 1 101.1467150900 -0.0218330360 2 16.4618495420 0.3048033262 3 7.7561637111 0.5283676871 4 3.8896172657 0.2458674486 P 1 1 2.0463449864 1.0000000000 P 1 1 0.9745080065 1.0000000000 P 1 1 0.4326754219 1.0000000000 P 1 1 0.0900000000 1.0000000000 D 5 1 506.7900064800 0.0046645208 2 152.1987165300 0.0380407822 3 57.7633438820 0.1607506109 4 24.3871815040 0.3970397409 5 10.6905742030 0.5577615493 D 1 1 4.7314142091 1.0000000000 D 1 1 1.8440068412 1.0000000000 D 1 1 0.7015456814 1.0000000000 D 1 1 0.2364715872 1.0000000000 F 1 1 1.0949900000 1.0000000000 end; ------------------------------- AUXILIARY BASIS SET INFORMATION ------------------------------- There are 4 groups of distinct atoms Group 1 Type Rh : 24s7p6d3f4g contracted to 24s7p6d3f4g pattern {111111111111111111111111/1111111/111111/111/1111} Group 2 Type C : 12s5p4d2f1g contracted to 6s4p3d1f1g pattern {711111/2111/211/2/1} Group 3 Type H : 5s2p1d contracted to 3s1p1d pattern {311/2/1} Group 4 Type O : 12s5p4d2f1g contracted to 6s4p3d1f1g pattern {711111/2111/211/2/1} Atom 0Rh basis set group => 1 Atom 1Rh basis set group => 1 Atom 2C basis set group => 2 Atom 3C basis set group => 2 Atom 4C basis set group => 2 Atom 5C basis set group => 2 Atom 6C basis set group => 2 Atom 7C basis set group => 2 Atom 8C basis set group => 2 Atom 9C basis set group => 2 Atom 10H basis set group => 3 Atom 11H basis set group => 3 Atom 12H basis set group => 3 Atom 13H basis set group => 3 Atom 14H basis set group => 3 Atom 15H basis set group => 3 Atom 16H basis set group => 3 Atom 17H basis set group => 3 Atom 18H basis set group => 3 Atom 19H basis set group => 3 Atom 20H basis set group => 3 Atom 21H basis set group => 3 Atom 22H basis set group => 3 Atom 23H basis set group => 3 Atom 24H basis set group => 3 Atom 25H basis set group => 3 Atom 26O basis set group => 4 Atom 27O basis set group => 4 Atom 28O basis set group => 4 Atom 29O basis set group => 4 Atom 30O basis set group => 4 Atom 31O basis set group => 4 Atom 32O basis set group => 4 Atom 33O basis set group => 4 Atom 34O basis set group => 4 Atom 35O basis set group => 4 ----------------------------------- AUXILIARY BASIS SET IN INPUT FORMAT ----------------------------------- # Auxiliary basis set for element : H NewAuxGTO H S 3 1 15.6752927000 0.1007184237 2 3.6063578000 0.3404257499 3 1.2080016000 0.6491996172 S 1 1 0.4726794000 1.0000000000 S 1 1 0.2018100000 1.0000000000 P 2 1 2.0281365000 0.5596620919 2 0.5358730000 0.5596620919 D 1 1 2.2165124000 1.0000000000 end; # Auxiliary basis set for element : C NewAuxGTO C S 7 1 1861.0916300000 0.0134602335 2 642.9939760000 0.0299160374 3 235.1105720000 0.1008649584 4 90.7028894000 0.2370970547 5 36.7794552000 0.3924037254 6 15.6046273000 0.3195862153 7 6.8907294000 0.0530104441 S 1 1 3.1478850000 -1.0000000000 S 1 1 1.4777287000 1.0000000000 S 1 1 0.7076466000 1.0000000000 S 1 1 0.3430122000 1.0000000000 S 1 1 0.1669453000 1.0000000000 P 2 1 13.5472892000 -0.6769313712 2 5.4669419000 -0.3779500978 P 1 1 2.1751721000 1.0000000000 P 1 1 0.8582194000 1.0000000000 P 1 1 0.3376720000 1.0000000000 D 2 1 5.9287253000 -0.3533329857 2 1.9809209000 -0.7456525731 D 1 1 0.8055417000 -1.0000000000 D 1 1 0.3531244000 -1.0000000000 F 2 1 1.6755626000 0.6311076882 2 0.5997536000 0.4968166032 G 1 1 1.0024600000 -1.0000000000 end; # Auxiliary basis set for element : O NewAuxGTO O S 7 1 2876.8216600000 0.0168151159 2 1004.7443000000 0.0340137547 3 369.7579950000 0.1194951308 4 142.9442400000 0.2664627623 5 57.8366425000 0.4202764046 6 24.3864983000 0.2765077334 7 10.6622662000 0.0057008815 S 1 1 4.8070437000 -1.0000000000 S 1 1 2.2210770000 1.0000000000 S 1 1 1.0447795000 1.0000000000 S 1 1 0.4968425000 1.0000000000 S 1 1 0.2371384000 1.0000000000 P 2 1 64.2613382000 -0.2731534179 2 16.3006076000 -0.8168011598 P 1 1 4.3550542000 1.0000000000 P 1 1 1.2019554000 1.0000000000 P 1 1 0.3354196000 1.0000000000 D 2 1 9.2146611000 -0.4661230638 2 2.8435251000 -0.6600908911 D 1 1 0.9955759000 -1.0000000000 D 1 1 0.3649441000 -1.0000000000 F 2 1 2.6420115000 0.5931563945 2 0.7345613000 0.5931563945 G 1 1 1.3931000000 -1.0000000000 end; # Auxiliary basis set for element : Rh NewAuxGTO Rh S 1 1 360000.0000000000 1.0000000000 S 1 1 180000.0000000000 1.0000000000 S 1 1 93000.0000000000 1.0000000000 S 1 1 46280.0000000000 1.0000000000 S 1 1 23140.0000000000 1.0000000000 S 1 1 11520.0000000000 1.0000000000 S 1 1 5760.0000000000 1.0000000000 S 1 1 2880.0000000000 1.0000000000 S 1 1 1480.0000000000 1.0000000000 S 1 1 740.0000000000 1.0000000000 S 1 1 320.0000000000 1.0000000000 S 1 1 160.0000000000 1.0000000000 S 1 1 80.0000000000 1.0000000000 S 1 1 40.0000000000 1.0000000000 S 1 1 20.0000000000 1.0000000000 S 1 1 10.0000000000 1.0000000000 S 1 1 5.0000000000 1.0000000000 S 1 1 2.5000000000 1.0000000000 S 1 1 1.2500000000 1.0000000000 S 1 1 0.6250000000 1.0000000000 S 1 1 0.3100000000 1.0000000000 S 1 1 0.1500000000 1.0000000000 S 1 1 0.0700000000 1.0000000000 S 1 1 0.0350000000 1.0000000000 P 1 1 15.0000000000 1.0000000000 P 1 1 6.0000000000 1.0000000000 P 1 1 2.5000000000 1.0000000000 P 1 1 1.3532130000 1.0000000000 P 1 1 0.5070490000 1.0000000000 P 1 1 0.2055160000 1.0000000000 P 1 1 0.8563170000 1.0000000000 D 1 1 20.0000000000 1.0000000000 D 1 1 10.0000000000 1.0000000000 D 1 1 4.0285210000 1.0000000000 D 1 1 1.9702850000 1.0000000000 D 1 1 1.0205320000 1.0000000000 D 1 1 0.5392090000 1.0000000000 F 1 1 1.8136450000 1.0000000000 F 1 1 0.6975560000 1.0000000000 F 1 1 0.2790220000 1.0000000000 G 1 1 7.6977520000 -1.0000000000 G 1 1 2.7964810000 -1.0000000000 G 1 1 1.0825330000 -1.0000000000 G 1 1 0.4284180000 -1.0000000000 end; ------------------------------------------------------------------------------ ORCA GTO INTEGRAL CALCULATION -- RI-GTO INTEGRALS CHOSEN -- ------------------------------------------------------------------------------ BASIS SET STATISTICS AND STARTUP INFO Gaussian basis set: # of primitive gaussian shells ... 542 # of primitive gaussian functions ... 1182 # of contracted shells ... 302 # of contracted basis functions ... 770 Highest angular momentum ... 3 Maximum contraction depth ... 8 Auxiliary gaussian basis set: # of primitive gaussian shells ... 648 # of primitive gaussian functions ... 1780 # of contracted shells ... 438 # of contracted aux-basis functions ... 1322 Highest angular momentum ... 4 Maximum contraction depth ... 7 Ratio of auxiliary to basis functions ... 1.72 Integral package used ... LIBINT One Electron integrals ... done Ordering auxiliary basis shells ... done Integral threshhold Thresh ... 2.500e-011 Primitive cut-off TCut ... 2.500e-012 Pre-screening matrix ... done Shell pair data ... Ordering of the shell pairs ... done ( 0.016 sec) 31961 of 45753 pairs Determination of significant pairs ... done ( 0.000 sec) Creation of shell pair data ... done ( 0.000 sec) Storage of shell pair data ... done ( 0.016 sec) Shell pair data done in ( 0.032 sec) Computing two index integrals ... done Choleksy decomposition of the V-matrix ... done Timings: Total evaluation time ... 5.600 sec ( 0.093 min) One electron matrix time ... 0.795 sec ( 0.013 min) = 14.2% Schwartz matrix evaluation time ... 3.666 sec ( 0.061 min) = 65.5% Two index repulsion integral time ... 0.187 sec ( 0.003 min) = 3.3% Cholesky decomposition of V ... 0.889 sec ( 0.015 min) = 15.9% ------------------------------------------------------------------------------- ORCA SCF ------------------------------------------------------------------------------- ------------ SCF SETTINGS ------------ Hamiltonian: Density Functional Method .... DFT(GTOs) Exchange Functional Exchange .... TPSS Correlation Functional Correlation .... TPSS LDA part of GGA corr. LDAOpt .... PW91-LDA Gradients option PostSCFGGA .... off Hybrid DFT is turned on Fraction HF Exchange ScalHFX .... 0.100000 Scaling of DF-GGA-X ScalDFX .... 0.900000 Scaling of DF-GGA-C ScalDFC .... 1.000000 Scaling of DF-LDA-C ScalLDAC .... 1.000000 Perturbative correction .... 0.000000 RI-approximation to the Coulomb term is turned on Number of auxiliary basis functions .... 1322 RIJ-COSX (HFX calculated with COS-X)).... on General Settings: Integral files IntName .... 2rh2acetate2aq_bs Hartree-Fock type HFTyp .... UHF Total Charge Charge .... 0 Multiplicity Mult .... 3 Number of Electrons NEL .... 234 Basis Dimension Dim .... 770 Nuclear Repulsion ENuc .... 4159.8301644049 Eh Convergence Acceleration: DIIS CNVDIIS .... on Start iteration DIISMaxIt .... 12 Startup error DIISStart .... 0.200000 # of expansion vecs DIISMaxEq .... 5 Bias factor DIISBfac .... 1.050 Max. coefficient DIISMaxC .... 10.000 Newton-Raphson CNVNR .... off SOSCF CNVSOSCF .... off Level Shifting CNVShift .... on Level shift para. LevelShift .... 0.2500 Turn off err/grad. ShiftErr .... 0.0010 Zerner damping CNVZerner .... off Static damping CNVDamp .... on Fraction old density DampFac .... 0.7000 Max. Damping (<1) DampMax .... 0.9800 Min. Damping (>=0) DampMin .... 0.0000 Turn off err/grad. DampErr .... 0.1000 Fernandez-Rico CNVRico .... off SCF Procedure: Maximum # iterations MaxIter .... 125 SCF integral mode SCFMode .... Direct Integral package .... LIBINT Reset frequeny DirectResetFreq .... 20 Integral Threshold Thresh .... 2.500e-011 Eh Primitive CutOff TCut .... 2.500e-012 Eh Convergence Tolerance: Convergence Check Mode ConvCheckMode .... Total+1el-Energy Energy Change TolE .... 1.000e-008 Eh 1-El. energy change .... 1.000e-005 Eh DIIS Error TolErr .... 5.000e-007 The Flip-Spin feature is operative for generating broken symmetry solutions Rh1 We will no do a high-spin calculation with Ms= 1.0 and then try to converge to the broken symmetry state with Ms= 0.0 Diagonalization of the overlap matrix: Smallest eigenvalue ... 2.163e-004 Time for diagonalization ... 1.420 sec Time for construction of square roots ... 0.593 sec Total time needed ... 2.013 sec ------------------- DFT GRID GENERATION ------------------- General Integration Accuracy IntAcc ... 4.340 Radial Grid Type RadialGrid ... Gauss-Chebyshev Angular Grid (max. acc.) AngularGrid ... Lebedev-110 Angular grid pruning method GridPruning ... 3 (G Style) Weight generation scheme WeightScheme... Becke Basis function cutoff BFCut ... 1.0000e-011 Integration weight cutoff WCut ... 1.0000e-014 Grids for H and He will be reduced by one unit # of grid points (after initial pruning) ... 49672 ( 0.1 sec) # of grid points (after weights+screening) ... 44754 ( 0.7 sec) nearest neighbour list constructed ... 0.0 sec Grid point re-assignment to atoms done ... 0.0 sec Grid point division into batches done ... 0.1 sec Reduced shell lists constructed in 2.5 sec Total number of grid points ... 44754 Total number of batches ... 718 Average number of points per batch ... 62 Average number of grid points per atom ... 1243 Average number of shells per batch ... 127.75 (42.30%) Average number of basis functions per batch ... 311.72 (40.48%) Average number of large shells per batch ... 82.38 (64.48%) Average number of large basis fcns per batch ... 199.59 (64.03%) Maximum spatial batch extension ... 21.70, 20.16, 21.16 au Average spatial batch extension ... 3.25, 3.27, 3.31 au Time for grid setup = 3.322 sec ------------------------------ INITIAL GUESS: MODEL POTENTIAL ------------------------------ Loading Hartree-Fock densities ... done Calculating cut-offs ... done Setting up the integral package ... done Initializing the effective Hamiltonian ... done Starting the Coulomb interaction ... done ( 4.5 sec) Reading the grid ... done Mapping shells ... done Starting the XC term evaluation ... done ( 10.1 sec) promolecular density results # of electrons = 233.988196843 EX = -394.136703622 EC = -9.565913448 EX+EC = -403.702617070 Transforming the Hamiltonian ... done ( 0.3 sec) Diagonalizing the Hamiltonian ... done ( 1.2 sec) Back transforming the eigenvectors ... done ( 0.1 sec) Now organizing SCF variables ... done ------------------ INITIAL GUESS DONE ( 15.1 sec) ------------------ -------------------- COSX GRID GENERATION -------------------- General Integration Accuracy IntAcc ... 3.340 Radial Grid Type RadialGrid ... Gauss-Chebyshev Angular Grid (max. acc.) AngularGrid ... Lebedev-50 Angular grid pruning method GridPruning ... 3 (G Style) Weight generation scheme WeightScheme... Becke Basis function cutoff BFCut ... 1.0000e-011 Integration weight cutoff WCut ... 1.0000e-014 Grids for H and He will be reduced by one unit # of grid points (after initial pruning) ... 18068 ( 0.0 sec) # of grid points (after weights+screening) ... 16449 ( 0.3 sec) nearest neighbour list constructed ... 0.0 sec Grid point re-assignment to atoms done ... 0.0 sec Grid point division into batches done ... 0.0 sec Reduced shell lists constructed in 1.1 sec Total number of grid points ... 16449 Total number of batches ... 272 Average number of points per batch ... 60 Average number of grid points per atom ... 457 Average number of shells per batch ... 139.88 (46.32%) Average number of basis functions per batch ... 345.89 (44.92%) Average number of large shells per batch ... 90.92 (65.00%) Average number of large basis fcns per batch ... 222.28 (64.26%) Maximum spatial batch extension ... 17.62, 17.44, 16.58 au Average spatial batch extension ... 4.37, 4.47, 4.40 au General Integration Accuracy IntAcc ... 4.010 Radial Grid Type RadialGrid ... Gauss-Chebyshev Angular Grid (max. acc.) AngularGrid ... Lebedev-50 Angular grid pruning method GridPruning ... 3 (G Style) Weight generation scheme WeightScheme... Becke Basis function cutoff BFCut ... 1.0000e-011 Integration weight cutoff WCut ... 1.0000e-014 Grids for H and He will be reduced by one unit # of grid points (after initial pruning) ... 27100 ( 0.0 sec) # of grid points (after weights+screening) ... 24544 ( 0.4 sec) nearest neighbour list constructed ... 0.0 sec Grid point re-assignment to atoms done ... 0.0 sec Grid point division into batches done ... 0.0 sec Reduced shell lists constructed in 1.5 sec Total number of grid points ... 24544 Total number of batches ... 402 Average number of points per batch ... 61 Average number of grid points per atom ... 682 Average number of shells per batch ... 132.78 (43.97%) Average number of basis functions per batch ... 325.22 (42.24%) Average number of large shells per batch ... 85.32 (64.25%) Average number of large basis fcns per batch ... 207.00 (63.65%) Maximum spatial batch extension ... 20.11, 19.95, 19.32 au Average spatial batch extension ... 3.89, 3.99, 3.90 au General Integration Accuracy IntAcc ... 4.340 Radial Grid Type RadialGrid ... Gauss-Chebyshev Angular Grid (max. acc.) AngularGrid ... Lebedev-194 Angular grid pruning method GridPruning ... 3 (G Style) Weight generation scheme WeightScheme... Becke Basis function cutoff BFCut ... 1.0000e-011 Integration weight cutoff WCut ... 1.0000e-014 Grids for H and He will be reduced by one unit # of grid points (after initial pruning) ... 96380 ( 0.1 sec) # of grid points (after weights+screening) ... 86026 ( 1.4 sec) nearest neighbour list constructed ... 0.0 sec Grid point re-assignment to atoms done ... 0.0 sec Grid point division into batches done ... 0.2 sec Reduced shell lists constructed in 4.7 sec Total number of grid points ... 86026 Total number of batches ... 1360 Average number of points per batch ... 63 Average number of grid points per atom ... 2390 Average number of shells per batch ... 121.51 (40.24%) Average number of basis functions per batch ... 294.63 (38.26%) Average number of large shells per batch ... 77.42 (63.72%) Average number of large basis fcns per batch ... 186.19 (63.20%) Maximum spatial batch extension ... 21.98, 18.77, 19.42 au Average spatial batch extension ... 2.73, 2.76, 2.75 au Time for X-Grid setup = 11.154 sec Time for 1-center integral setup = 21.715 sec Time for 1-center integral setup = 20.436 sec -------------------- COSMO INITIALIZATION -------------------- Epsilon ... 80.4000 Refractive Index ... 1.3300 Potential Evaluation ... ANALYTIC Technical COSMO parameters: rsolv ... 1.3000 routf ... 0.8500 disex ... 10.0000 nppa ... 1082 nspa ... 92 Radii: Radius for Rh used is 4.2009 Bohr (= 2.2230 Ang.) Radius for C used is 3.7795 Bohr (= 2.0000 Ang.) Radius for H used is 2.4566 Bohr (= 1.3000 Ang.) Radius for O used is 3.2503 Bohr (= 1.7200 Ang.) Initializing COSMO package ... done Setting COSMO radii ... done Setting atoms and making cavity ... USING 1082 GRID done Cholesky decomposition of A ... done -------------- SCF ITERATIONS -------------- ITER Energy Delta-E Max-DP RMS-DP [F,P] Damp *** Starting incremental Fock matrix formation *** 0 -10442.3391476671 0.000000000000 0.05431701 0.00046693 0.2794891 0.7000 1 -10442.8525008951 -0.513353227943 0.01310198 0.00023764 0.0977766 0.7000 ***Turning on DIIS*** 2 -10442.9751472027 -0.122646307589 0.05114110 0.00042605 0.0419853 0.0000 3 -10443.2952290327 -0.320081830030 0.00952556 0.00017653 0.0474924 0.0000 4 -10443.3288196927 -0.033590660061 0.01138798 0.00011282 0.0411224 0.0000 5 -10443.3414664467 -0.012646753950 0.00637663 0.00006038 0.0099020 0.0000 6 -10443.3431515853 -0.001685138557 0.00141202 0.00002290 0.0036980 0.0000 7 -10443.3436227899 -0.000471204688 0.00137676 0.00001614 0.0018706 0.0000 8 -10443.3438519395 -0.000229149544 0.00090306 0.00001300 0.0030632 0.0000 9 -10443.3440777155 -0.000225776041 0.00110048 0.00001404 0.0010964 0.0000 10 -10443.3442783620 -0.000200646433 0.01352895 0.00018514 0.0008193 0.0000 *** Restarting incremental Fock matrix formation *** *** Resetting DIIS *** 11 -10443.3469523976 -0.002674035637 0.00277258 0.00003406 0.0054608 0.0000 12 -10443.3475353607 -0.000582963065 0.00225484 0.00002289 0.0051764 0.0000 13 -10443.3481464707 -0.000611110008 0.00250524 0.00002164 0.0024453 0.0000 14 -10443.3486244795 -0.000478008802 0.00229674 0.00002125 0.0021962 0.0000 15 -10443.3491276015 -0.000503121997 0.00217442 0.00002077 0.0018141 0.0000 16 -10443.3496108365 -0.000483235024 0.00163905 0.00001670 0.0017413 0.0000 17 -10443.3499712929 -0.000360456419 0.00148044 0.00001491 0.0018485 0.0000 18 -10443.3502976589 -0.000326366029 0.00202444 0.00001773 0.0024541 0.0000 19 -10443.3507149018 -0.000417242898 0.00170040 0.00001585 0.0023121 0.0000 20 -10443.3510896951 -0.000374793250 0.00160574 0.00001489 0.0025135 0.0000 21 -10443.3514399618 -0.000350266761 0.00199508 0.00001635 0.0028000 0.0000 22 -10443.3518252100 -0.000385248170 0.00239181 0.00002108 0.0024060 0.0000 23 -10443.3523415385 -0.000516328506 0.00258505 0.00002356 0.0018223 0.0000 24 -10443.3529088269 -0.000567288344 0.00302247 0.00002620 0.0017725 0.0000 25 -10443.3535274833 -0.000618656468 0.00258412 0.00002337 0.0019230 0.0000 26 -10443.3540655142 -0.000538030881 0.00306507 0.00002767 0.0017354 0.0000 27 -10443.3546806410 -0.000615126772 0.00210559 0.00002111 0.0017058 0.0000 28 -10443.3551338463 -0.000453205290 0.00318552 0.00003010 0.0016656 0.0000 29 -10443.3557443373 -0.000610491019 0.00233399 0.00002302 0.0015604 0.0000 30 -10443.3562134611 -0.000469123797 0.00243481 0.00002495 0.0014191 0.0000 *** Restarting incremental Fock matrix formation *** *** Resetting DIIS *** 31 -10443.3566822044 -0.000468743327 0.00194384 0.00001915 0.0015547 0.0000 32 -10443.3570113283 -0.000329123872 0.00154674 0.00001663 0.0018523 0.0000 33 -10443.3573099779 -0.000298649598 0.00126615 0.00001477 0.0013136 0.0000 34 -10443.3575541581 -0.000244180239 0.00114283 0.00001351 0.0012662 0.0000 35 -10443.3577675386 -0.000213380514 0.00111034 0.00001331 0.0012141 0.0000 36 -10443.3579712621 -0.000203723461 0.00205043 0.00002476 0.0012307 0.0000 37 -10443.3582766581 -0.000305396014 0.00098189 0.00001413 0.0014894 0.0000 38 -10443.3584774170 -0.000200758866 0.00116361 0.00001416 0.0010464 0.0000 39 -10443.3586569443 -0.000179527307 0.00112865 0.00001421 0.0010647 0.0000 40 -10443.3588267731 -0.000169828842 0.00781966 0.00009706 0.0009254 0.0000 41 -10443.3596375442 -0.000810771100 0.00021938 0.00000309 0.0022438 0.0000 42 -10443.3596137754 0.000023768875 0.00024379 0.00000295 0.0023226 0.0000 43 -10443.3595874670 0.000026308362 0.00022940 0.00000265 0.0025688 0.0000 44 -10443.3595667030 0.000020763953 0.00014869 0.00000177 0.0026175 0.0000 45 -10443.3595596992 0.000007003857 0.00135315 0.00001559 0.0024658 0.0000 46 -10443.3595972134 -0.000037514241 0.00082101 0.00000913 0.0036156 0.0000 47 -10443.3597014377 -0.000104224227 0.00246503 0.00002809 0.0008047 0.0000 48 -10443.3598191103 -0.000117672631 0.00025639 0.00000338 0.0015820 0.0000 49 -10443.3598422208 -0.000023110520 0.00161810 0.00001741 0.0008192 0.0000 50 -10443.3599022615 -0.000060040684 0.00060758 0.00000637 0.0009134 0.0000 *** Restarting incremental Fock matrix formation *** *** Resetting DIIS *** 51 -10443.3598807626 0.000021498887 0.00130406 0.00001506 0.0009479 0.0000 52 -10443.3598956543 -0.000014891737 0.00051194 0.00000352 0.0023125 0.0000 53 -10443.3599262047 -0.000030550351 0.00088968 0.00000933 0.0005270 0.0000 54 -10443.3599446208 -0.000018416114 0.00101824 0.00001127 0.0008258 0.0000 55 -10443.3599628620 -0.000018241228 0.00050725 0.00000521 0.0006843 0.0000 56 -10443.3599719842 -0.000009122121 0.00075624 0.00000913 0.0002785 0.0000 57 -10443.3599793844 -0.000007400253 0.00025849 0.00000279 0.0001792 0.0000 58 -10443.3599807473 -0.000001362934 0.00023475 0.00000208 0.0001357 0.0000 59 -10443.3599817256 -0.000000978302 0.00018454 0.00000157 0.0000660 0.0000 60 -10443.3599822770 -0.000000551390 0.00023921 0.00000177 0.0000492 0.0000 61 -10443.3599828510 -0.000000574004 0.00022012 0.00000172 0.0000427 0.0000 62 -10443.3599833815 -0.000000530454 0.00004887 0.00000049 0.0000457 0.0000 63 -10443.3599835000 -0.000000118536 0.00020460 0.00000158 0.0000315 0.0000 64 -10443.3599840237 -0.000000523682 0.00023979 0.00000196 0.0000552 0.0000 65 -10443.3599845720 -0.000000548251 0.00011780 0.00000103 0.0000284 0.0000 66 -10443.3599848380 -0.000000266058 0.00029101 0.00000247 0.0000255 0.0000 67 -10443.3599854408 -0.000000602804 0.00009660 0.00000072 0.0000245 0.0000 68 -10443.3599856399 -0.000000199096 0.00010968 0.00000093 0.0000459 0.0000 69 -10443.3599858231 -0.000000183152 0.00009073 0.00000073 0.0000266 0.0000 70 -10443.3599859423 -0.000000119271 0.00004163 0.00000025 0.0000388 0.0000 *** Restarting incremental Fock matrix formation *** *** Resetting DIIS *** 71 -10443.3599860299 -0.000000087601 0.00011636 0.00000071 0.0000251 0.0000 72 -10443.3599861942 -0.000000164240 0.00005021 0.00000025 0.0001231 0.0000 73 -10443.3599863543 -0.000000160153 0.00003238 0.00000025 0.0000185 0.0000 74 -10443.3599863754 -0.000000021077 0.00008491 0.00000073 0.0000156 0.0000 75 -10443.3599864637 -0.000000088321 0.00010719 0.00000096 0.0000142 0.0000 76 -10443.3599865074 -0.000000043696 0.00018474 0.00000160 0.0000126 0.0000 77 -10443.3599867156 -0.000000208223 0.00028778 0.00000250 0.0000101 0.0000 78 -10443.3599868345 -0.000000118878 0.00019468 0.00000162 0.0000091 0.0000 79 -10443.3599869099 -0.000000075324 0.00015039 0.00000123 0.0000171 0.0000 80 -10443.3599869339 -0.000000024036 0.00009374 0.00000078 0.0000066 0.0000 81 -10443.3599869068 0.000000027092 0.00002662 0.00000020 0.0000061 0.0000 82 -10443.3599868056 0.000000101185 0.00005066 0.00000043 0.0000055 0.0000 83 -10443.3599867408 0.000000064765 0.00002169 0.00000018 0.0000025 0.0000 84 -10443.3599867081 0.000000032745 0.00000695 0.00000006 0.0000018 0.0000 85 -10443.3599866833 0.000000024782 0.00000673 0.00000005 0.0000017 0.0000 86 -10443.3599866855 -0.000000002186 0.00000270 0.00000003 0.0000015 0.0000 87 -10443.3599868930 -0.000000207481 0.00000524 0.00000004 0.0000012 0.0000 88 -10443.3599868491 0.000000043865 0.00000138 0.00000001 0.0000025 0.0000 89 -10443.3599865973 0.000000251834 0.00000370 0.00000003 0.0000010 0.0000 90 -10443.3599863529 0.000000244372 0.00000179 0.00000001 0.0000011 0.0000 *** Restarting incremental Fock matrix formation *** *** Resetting DIIS *** 91 -10443.3599870104 -0.000000657466 0.00000980 0.00000011 0.0000025 0.0000 92 -10443.3599872918 -0.000000281460 0.00000344 0.00000002 0.0000048 0.0000 93 -10443.3599872961 -0.000000004251 0.00000314 0.00000002 0.0000038 0.0000 94 -10443.3599873676 -0.000000071528 0.00000226 0.00000002 0.0000013 0.0000 ***DIIS convergence achieved*** ***************************************************** * SUCCESS * * SCF CONVERGED AFTER 95 CYCLES * ***************************************************** Setting up the final grid: General Integration Accuracy IntAcc ... 4.670 Radial Grid Type RadialGrid ... Gauss-Chebyshev Angular Grid (max. acc.) AngularGrid ... Lebedev-302 Angular grid pruning method GridPruning ... 3 (G Style) Weight generation scheme WeightScheme... Becke Basis function cutoff BFCut ... 1.0000e-011 Integration weight cutoff WCut ... 1.0000e-014 Grids for H and He will be reduced by one unit # of grid points (after initial pruning) ... 187316 ( 0.3 sec) # of grid points (after weights+screening) ... 165646 ( 2.8 sec) nearest neighbour list constructed ... 0.0 sec Grid point re-assignment to atoms done ... 0.1 sec Grid point division into batches done ... 0.8 sec Reduced shell lists constructed in 8.4 sec Total number of grid points ... 165646 Total number of batches ... 2603 Average number of points per batch ... 63 Average number of grid points per atom ... 4601 Average number of shells per batch ... 114.29 (37.84%) Average number of basis functions per batch ... 274.55 (35.66%) Average number of large shells per batch ... 72.24 (63.21%) Average number of large basis fcns per batch ... 172.43 (62.80%) Maximum spatial batch extension ... 22.87, 19.54, 19.25 au Average spatial batch extension ... 2.24, 2.24, 2.24 au Final grid set up in 11.5 sec Final integration ... done ( 96.6 sec) Change in XC energy ... 0.006047901 Integrated number of electrons ... 233.999850958 Previous integrated no of electrons ... 234.000151758 Old exchange energy = -39.705788667 Eh New exchange energy = -39.705411056 Eh Exchange energy change after final integration = 0.000377611 Eh Total energy after final integration = -10443.353561984 Eh Final COS-X integration done in = 1165.639 sec otool_cosmo 2rh2acetate2aq_bs tmp -7.288173352708164E-003 -4.19548471551130 -3.68266448440510 5.221391449521134E-004 0.278736501612404 1.873235625516219E-003 Total Energy after outlying charge correction = -10443.353867319 Eh ---------------- TOTAL SCF ENERGY ---------------- Total Energy : -10443.35356198 Eh -284178.09776 eV Components: Nuclear Repulsion : 4159.83016440 Eh 113194.73348 eV Electronic Energy : -14603.18372639 Eh -397372.83124 eV COSMO(ediel) : -0.04342562 Eh -1.18167 eV One Electron Energy: -22723.84645258 Eh -618347.29814 eV Two Electron Energy: 8120.66272619 Eh 220974.46690 eV Virial components: Potential Energy : -20873.36407475 Eh -567993.11269 eV Kinetic Energy : 10430.01051276 Eh 283815.01493 eV Virial Ratio : 2.00127929 DFT components: N(Alpha) : 117.999931224444 electrons N(Beta) : 115.999919733343 electrons N(Total) : 233.999850957787 electrons E(X) : -358.211101525604 Eh E(C) : -9.623438288033 Eh E(XC) : -367.834539813637 Eh --------------- SCF CONVERGENCE --------------- Last Energy change ... -1.2904e-007 Tolerance : 1.0000e-008 Last MAX-Density change ... 0.0000e+000 Tolerance : 1.0000e-007 Last RMS-Density change ... 0.0000e+000 Tolerance : 5.0000e-009 Last DIIS Error ... 6.2950e-007 Tolerance : 5.0000e-007 **** THE GBW FILE WAS UPDATED (2rh2acetate2aq_bs.gbw) **** **** DENSITY FILE WAS UPDATED (2rh2acetate2aq_bs.scfp.tmp) **** **** ENERGY FILE WAS UPDATED (2rh2acetate2aq_bs.en.tmp) **** ---------------------- UHF SPIN CONTAMINATION ---------------------- Warning: in a DFT calculation there is little theoretical justification to calculate as in Hartree-Fock theory. We will do it anyways but you should keep in mind that the values have only limited relevance Expectation value of : 2.009932 Ideal value S*(S+1) for S=1.0 : 2.000000 Deviation : 0.009932 ---------------- ORBITAL ENERGIES ---------------- SPIN UP ORBITALS NO OCC E(Eh) E(eV) 0 1.0000 -824.225472 -22428.3153 1 1.0000 -824.225416 -22428.3138 2 1.0000 -117.551427 -3198.7369 3 1.0000 -117.551364 -3198.7352 4 1.0000 -108.882844 -2962.8528 5 1.0000 -108.882782 -2962.8511 6 1.0000 -108.881011 -2962.8029 7 1.0000 -108.880948 -2962.8012 8 1.0000 -108.879632 -2962.7654 9 1.0000 -108.879572 -2962.7638 10 1.0000 -21.103631 -574.2590 11 1.0000 -21.103566 -574.2572 12 1.0000 -19.075480 -519.0702 13 1.0000 -19.075428 -519.0688 14 1.0000 -19.067387 -518.8500 15 1.0000 -19.067348 -518.8489 16 1.0000 -19.066507 -518.8260 17 1.0000 -19.066498 -518.8258 18 1.0000 -19.065574 -518.8006 19 1.0000 -19.065553 -518.8001 20 1.0000 -19.065245 -518.7917 21 1.0000 -19.065146 -518.7890 22 1.0000 -17.664065 -480.6637 23 1.0000 -17.664009 -480.6621 24 1.0000 -17.658016 -480.4991 25 1.0000 -17.657957 -480.4974 26 1.0000 -17.653294 -480.3706 27 1.0000 -17.653227 -480.3687 28 1.0000 -11.346680 -308.7589 29 1.0000 -11.346620 -308.7572 30 1.0000 -11.345289 -308.7210 31 1.0000 -11.345226 -308.7193 32 1.0000 -11.344754 -308.7064 33 1.0000 -11.344692 -308.7048 34 1.0000 -11.340168 -308.5817 35 1.0000 -11.340105 -308.5799 36 1.0000 -11.337503 -308.5091 37 1.0000 -11.337437 -308.5073 38 1.0000 -10.242230 -278.7052 39 1.0000 -10.242212 -278.7048 40 1.0000 -10.242003 -278.6991 41 1.0000 -10.241918 -278.6968 42 1.0000 -10.118526 -275.3391 43 1.0000 -10.118476 -275.3377 44 1.0000 -10.118366 -275.3347 45 1.0000 -10.118351 -275.3343 46 1.0000 -2.938195 -79.9523 47 1.0000 -2.935024 -79.8661 48 1.0000 -1.900259 -51.7087 49 1.0000 -1.898168 -51.6518 50 1.0000 -1.893458 -51.5236 51 1.0000 -1.879239 -51.1367 52 1.0000 -1.876920 -51.0736 53 1.0000 -1.873157 -50.9712 54 1.0000 -1.057921 -28.7875 55 1.0000 -1.053050 -28.6549 56 1.0000 -1.052518 -28.6405 57 1.0000 -1.052076 -28.6284 58 1.0000 -1.006253 -27.3815 59 1.0000 -1.006198 -27.3800 60 1.0000 -0.974588 -26.5199 61 1.0000 -0.970122 -26.3984 62 1.0000 -0.969531 -26.3823 63 1.0000 -0.968221 -26.3466 64 1.0000 -0.721745 -19.6397 65 1.0000 -0.720271 -19.5996 66 1.0000 -0.719242 -19.5716 67 1.0000 -0.719230 -19.5713 68 1.0000 -0.549914 -14.9639 69 1.0000 -0.544302 -14.8112 70 1.0000 -0.535728 -14.5779 71 1.0000 -0.533882 -14.5277 72 1.0000 -0.521172 -14.1818 73 1.0000 -0.518707 -14.1147 74 1.0000 -0.496526 -13.5112 75 1.0000 -0.490995 -13.3607 76 1.0000 -0.469580 -12.7779 77 1.0000 -0.467168 -12.7123 78 1.0000 -0.460190 -12.5224 79 1.0000 -0.457195 -12.4409 80 1.0000 -0.454699 -12.3730 81 1.0000 -0.453734 -12.3467 82 1.0000 -0.445724 -12.1288 83 1.0000 -0.443030 -12.0555 84 1.0000 -0.442863 -12.0509 85 1.0000 -0.435176 -11.8417 86 1.0000 -0.409731 -11.1493 87 1.0000 -0.404655 -11.0112 88 1.0000 -0.388022 -10.5586 89 1.0000 -0.387398 -10.5416 90 1.0000 -0.387225 -10.5369 91 1.0000 -0.386860 -10.5270 92 1.0000 -0.380812 -10.3624 93 1.0000 -0.367470 -9.9994 94 1.0000 -0.367358 -9.9963 95 1.0000 -0.357700 -9.7335 96 1.0000 -0.351359 -9.5610 97 1.0000 -0.349188 -9.5019 98 1.0000 -0.343113 -9.3366 99 1.0000 -0.337332 -9.1793 100 1.0000 -0.332738 -9.0543 101 1.0000 -0.312234 -8.4963 102 1.0000 -0.310532 -8.4500 103 1.0000 -0.304663 -8.2903 104 1.0000 -0.303125 -8.2484 105 1.0000 -0.303009 -8.2453 106 1.0000 -0.302650 -8.2355 107 1.0000 -0.291482 -7.9316 108 1.0000 -0.287999 -7.8369 109 1.0000 -0.282862 -7.6971 110 1.0000 -0.265327 -7.2199 111 1.0000 -0.261063 -7.1039 112 1.0000 -0.255152 -6.9430 113 1.0000 -0.253010 -6.8848 114 1.0000 -0.221712 -6.0331 115 1.0000 -0.213247 -5.8027 116 1.0000 -0.206132 -5.6091 117 1.0000 -0.141507 -3.8506 118 0.0000 -0.091378 -2.4865 119 0.0000 -0.077659 -2.1132 120 0.0000 -0.016781 -0.4566 121 0.0000 -0.016487 -0.4486 122 0.0000 -0.011233 -0.3057 123 0.0000 -0.004235 -0.1152 124 0.0000 0.007582 0.2063 125 0.0000 0.020080 0.5464 126 0.0000 0.046953 1.2776 127 0.0000 0.054348 1.4789 128 0.0000 0.054849 1.4925 129 0.0000 0.072498 1.9728 130 0.0000 0.104307 2.8383 131 0.0000 0.106888 2.9086 132 0.0000 0.110743 3.0135 133 0.0000 0.112191 3.0529 134 0.0000 0.118063 3.2127 135 0.0000 0.118807 3.2329 136 0.0000 0.121344 3.3019 137 0.0000 0.123463 3.3596 138 0.0000 0.125257 3.4084 139 0.0000 0.129946 3.5360 140 0.0000 0.134197 3.6517 141 0.0000 0.134835 3.6691 142 0.0000 0.138689 3.7739 143 0.0000 0.147835 4.0228 144 0.0000 0.148983 4.0540 145 0.0000 0.149792 4.0760 146 0.0000 0.159373 4.3368 147 0.0000 0.162408 4.4193 148 0.0000 0.163138 4.4392 149 0.0000 0.185909 5.0588 150 0.0000 0.195726 5.3260 151 0.0000 0.197297 5.3687 152 0.0000 0.204920 5.5761 153 0.0000 0.212431 5.7805 154 0.0000 0.218704 5.9512 155 0.0000 0.220870 6.0102 156 0.0000 0.227405 6.1880 157 0.0000 0.230869 6.2823 158 0.0000 0.235657 6.4125 159 0.0000 0.244609 6.6562 160 0.0000 0.254566 6.9271 161 0.0000 0.254902 6.9362 162 0.0000 0.260572 7.0905 163 0.0000 0.262466 7.1421 164 0.0000 0.272272 7.4089 165 0.0000 0.277576 7.5532 166 0.0000 0.289780 7.8853 167 0.0000 0.302062 8.2195 168 0.0000 0.314845 8.5674 169 0.0000 0.318142 8.6571 170 0.0000 0.320482 8.7208 171 0.0000 0.320752 8.7281 172 0.0000 0.350884 9.5480 173 0.0000 0.362373 9.8607 174 0.0000 0.365156 9.9364 175 0.0000 0.373620 10.1667 176 0.0000 0.385092 10.4789 177 0.0000 0.389541 10.6000 178 0.0000 0.389706 10.6044 179 0.0000 0.393099 10.6968 180 0.0000 0.394114 10.7244 181 0.0000 0.395654 10.7663 182 0.0000 0.397503 10.8166 183 0.0000 0.399345 10.8667 184 0.0000 0.402072 10.9409 185 0.0000 0.403393 10.9769 186 0.0000 0.404014 10.9938 187 0.0000 0.406191 11.0530 188 0.0000 0.409995 11.1565 189 0.0000 0.412192 11.2163 190 0.0000 0.413311 11.2468 191 0.0000 0.419811 11.4237 192 0.0000 0.436160 11.8685 193 0.0000 0.440040 11.9741 194 0.0000 0.443569 12.0701 195 0.0000 0.445938 12.1346 196 0.0000 0.447313 12.1720 197 0.0000 0.455856 12.4045 198 0.0000 0.457347 12.4450 199 0.0000 0.461799 12.5662 200 0.0000 0.465424 12.6648 201 0.0000 0.480518 13.0756 202 0.0000 0.494666 13.4606 203 0.0000 0.499228 13.5847 204 0.0000 0.504176 13.7193 205 0.0000 0.504393 13.7252 206 0.0000 0.507507 13.8100 207 0.0000 0.510288 13.8857 208 0.0000 0.510732 13.8977 209 0.0000 0.516971 14.0675 210 0.0000 0.520698 14.1689 211 0.0000 0.530921 14.4471 212 0.0000 0.538469 14.6525 213 0.0000 0.544683 14.8216 214 0.0000 0.551825 15.0159 215 0.0000 0.561837 15.2884 216 0.0000 0.575152 15.6507 217 0.0000 0.581386 15.8203 218 0.0000 0.585215 15.9245 219 0.0000 0.590881 16.0787 220 0.0000 0.608317 16.5532 221 0.0000 0.611429 16.6378 222 0.0000 0.615093 16.7375 223 0.0000 0.625876 17.0309 224 0.0000 0.638248 17.3676 225 0.0000 0.648114 17.6361 226 0.0000 0.650669 17.7056 227 0.0000 0.653103 17.7718 228 0.0000 0.658092 17.9076 229 0.0000 0.659221 17.9383 230 0.0000 0.666211 18.1285 231 0.0000 0.667244 18.1566 232 0.0000 0.682536 18.5727 233 0.0000 0.697874 18.9901 234 0.0000 0.714578 19.4447 235 0.0000 0.728192 19.8151 236 0.0000 0.742340 20.2001 237 0.0000 0.750490 20.4219 238 0.0000 0.751083 20.4380 239 0.0000 0.766466 20.8566 240 0.0000 0.767405 20.8821 241 0.0000 0.773524 21.0487 242 0.0000 0.779406 21.2087 243 0.0000 0.782031 21.2802 244 0.0000 0.794587 21.6218 245 0.0000 0.809047 22.0153 246 0.0000 0.812021 22.0962 247 0.0000 0.817632 22.2489 248 0.0000 0.821020 22.3411 249 0.0000 0.828732 22.5509 250 0.0000 0.840673 22.8759 251 0.0000 0.846381 23.0312 252 0.0000 0.849368 23.1125 253 0.0000 0.861117 23.4322 254 0.0000 0.863015 23.4838 255 0.0000 0.891626 24.2624 256 0.0000 0.896302 24.3896 257 0.0000 0.905679 24.6448 258 0.0000 0.913479 24.8570 259 0.0000 0.914491 24.8846 260 0.0000 0.933684 25.4068 261 0.0000 0.941263 25.6131 262 0.0000 0.942472 25.6460 263 0.0000 0.949914 25.8485 264 0.0000 0.961051 26.1515 265 0.0000 0.965639 26.2764 266 0.0000 0.969199 26.3732 267 0.0000 0.972173 26.4542 268 0.0000 0.980052 26.6686 269 0.0000 0.999286 27.1919 270 0.0000 1.004510 27.3341 271 0.0000 1.011780 27.5319 272 0.0000 1.022455 27.8224 273 0.0000 1.026585 27.9348 274 0.0000 1.032844 28.1051 275 0.0000 1.038911 28.2702 276 0.0000 1.039295 28.2807 277 0.0000 1.043003 28.3816 278 0.0000 1.062621 28.9154 279 0.0000 1.066580 29.0231 280 0.0000 1.076290 29.2873 281 0.0000 1.078130 29.3374 282 0.0000 1.084178 29.5020 283 0.0000 1.094648 29.7869 284 0.0000 1.099923 29.9304 285 0.0000 1.141434 31.0600 286 0.0000 1.144536 31.1444 287 0.0000 1.147723 31.2311 288 0.0000 1.159113 31.5411 289 0.0000 1.176784 32.0219 290 0.0000 1.214012 33.0349 291 0.0000 1.221123 33.2284 292 0.0000 1.240497 33.7557 293 0.0000 1.250122 34.0175 294 0.0000 1.251976 34.0680 295 0.0000 1.258967 34.2582 296 0.0000 1.290199 35.1081 297 0.0000 1.297658 35.3111 298 0.0000 1.315873 35.8067 299 0.0000 1.326831 36.1049 300 0.0000 1.350500 36.7490 301 0.0000 1.382273 37.6136 302 0.0000 1.387287 37.7500 303 0.0000 1.407307 38.2948 304 0.0000 1.422011 38.6949 305 0.0000 1.427461 38.8432 306 0.0000 1.432780 38.9879 307 0.0000 1.440416 39.1957 308 0.0000 1.442086 39.2412 309 0.0000 1.445041 39.3216 310 0.0000 1.452941 39.5365 311 0.0000 1.457568 39.6624 312 0.0000 1.465767 39.8855 313 0.0000 1.471844 40.0509 314 0.0000 1.472282 40.0628 315 0.0000 1.477403 40.2022 316 0.0000 1.488258 40.4976 317 0.0000 1.494415 40.6651 318 0.0000 1.511541 41.1311 319 0.0000 1.521650 41.4062 320 0.0000 1.522299 41.4239 321 0.0000 1.528678 41.5974 322 0.0000 1.532326 41.6967 323 0.0000 1.536123 41.8000 324 0.0000 1.537507 41.8377 325 0.0000 1.539755 41.8989 326 0.0000 1.541981 41.9594 327 0.0000 1.549611 42.1671 328 0.0000 1.554372 42.2966 329 0.0000 1.556331 42.3499 330 0.0000 1.561780 42.4982 331 0.0000 1.569077 42.6968 332 0.0000 1.572176 42.7811 333 0.0000 1.579453 42.9791 334 0.0000 1.583655 43.0934 335 0.0000 1.595861 43.4256 336 0.0000 1.599920 43.5360 337 0.0000 1.601975 43.5919 338 0.0000 1.610029 43.8111 339 0.0000 1.610325 43.8192 340 0.0000 1.634393 44.4741 341 0.0000 1.640543 44.6414 342 0.0000 1.644984 44.7623 343 0.0000 1.646113 44.7930 344 0.0000 1.650797 44.9205 345 0.0000 1.717071 46.7239 346 0.0000 1.722736 46.8780 347 0.0000 1.742670 47.4205 348 0.0000 1.743579 47.4452 349 0.0000 1.753910 47.7263 350 0.0000 1.787838 48.6496 351 0.0000 1.791980 48.7623 352 0.0000 1.802241 49.0415 353 0.0000 1.808501 49.2118 354 0.0000 1.813484 49.3474 355 0.0000 1.819751 49.5179 356 0.0000 1.828721 49.7620 357 0.0000 1.831446 49.8362 358 0.0000 1.852966 50.4218 359 0.0000 1.861794 50.6620 360 0.0000 1.862384 50.6780 361 0.0000 1.866286 50.7842 362 0.0000 1.877308 51.0841 363 0.0000 1.884490 51.2796 364 0.0000 1.890237 51.4360 365 0.0000 1.892749 51.5043 366 0.0000 1.894521 51.5525 367 0.0000 1.898881 51.6712 368 0.0000 1.912344 52.0375 369 0.0000 1.924402 52.3657 370 0.0000 1.942482 52.8576 371 0.0000 1.952332 53.1257 372 0.0000 1.961486 53.3747 373 0.0000 1.966725 53.5173 374 0.0000 1.979214 53.8572 375 0.0000 1.979940 53.8769 376 0.0000 1.986277 54.0493 377 0.0000 2.001562 54.4653 378 0.0000 2.013474 54.7894 379 0.0000 2.030756 55.2597 380 0.0000 2.041257 55.5454 381 0.0000 2.049246 55.7628 382 0.0000 2.066638 56.2361 383 0.0000 2.072114 56.3851 384 0.0000 2.072219 56.3879 385 0.0000 2.076239 56.4973 386 0.0000 2.087191 56.7954 387 0.0000 2.089104 56.8474 388 0.0000 2.095087 57.0102 389 0.0000 2.097838 57.0851 390 0.0000 2.110308 57.4244 391 0.0000 2.112478 57.4834 392 0.0000 2.115945 57.5778 393 0.0000 2.125194 57.8295 394 0.0000 2.128219 57.9118 395 0.0000 2.142042 58.2879 396 0.0000 2.143606 58.3305 397 0.0000 2.154945 58.6390 398 0.0000 2.162332 58.8400 399 0.0000 2.164916 58.9104 400 0.0000 2.167243 58.9737 401 0.0000 2.172693 59.1220 402 0.0000 2.175377 59.1950 403 0.0000 2.197836 59.8062 404 0.0000 2.210333 60.1462 405 0.0000 2.213506 60.2326 406 0.0000 2.217535 60.3422 407 0.0000 2.226303 60.5808 408 0.0000 2.231888 60.7328 409 0.0000 2.233719 60.7826 410 0.0000 2.241154 60.9849 411 0.0000 2.241566 60.9961 412 0.0000 2.251146 61.2568 413 0.0000 2.253036 61.3082 414 0.0000 2.274473 61.8916 415 0.0000 2.274679 61.8972 416 0.0000 2.280868 62.0656 417 0.0000 2.298371 62.5418 418 0.0000 2.312496 62.9262 419 0.0000 2.313249 62.9467 420 0.0000 2.314579 62.9829 421 0.0000 2.318554 63.0911 422 0.0000 2.337016 63.5934 423 0.0000 2.338611 63.6368 424 0.0000 2.346200 63.8434 425 0.0000 2.353238 64.0349 426 0.0000 2.358608 64.1810 427 0.0000 2.376453 64.6666 428 0.0000 2.387739 64.9737 429 0.0000 2.389540 65.0227 430 0.0000 2.395871 65.1950 431 0.0000 2.421573 65.8944 432 0.0000 2.422230 65.9122 433 0.0000 2.429763 66.1172 434 0.0000 2.429918 66.1214 435 0.0000 2.436142 66.2908 436 0.0000 2.450872 66.6916 437 0.0000 2.452354 66.7320 438 0.0000 2.463492 67.0350 439 0.0000 2.507839 68.2418 440 0.0000 2.512015 68.3554 441 0.0000 2.517646 68.5086 442 0.0000 2.545357 69.2627 443 0.0000 2.549176 69.3666 444 0.0000 2.555420 69.5365 445 0.0000 2.559458 69.6464 446 0.0000 2.559861 69.6574 447 0.0000 2.584928 70.3395 448 0.0000 2.598708 70.7144 449 0.0000 2.606322 70.9216 450 0.0000 2.607532 70.9546 451 0.0000 2.614813 71.1527 452 0.0000 2.625558 71.4451 453 0.0000 2.634582 71.6906 454 0.0000 2.641540 71.8800 455 0.0000 2.642350 71.9020 456 0.0000 2.664902 72.5157 457 0.0000 2.677589 72.8609 458 0.0000 2.689623 73.1884 459 0.0000 2.694503 73.3212 460 0.0000 2.708601 73.7048 461 0.0000 2.710132 73.7464 462 0.0000 2.713508 73.8383 463 0.0000 2.718292 73.9685 464 0.0000 2.723899 74.1211 465 0.0000 2.750135 74.8350 466 0.0000 2.750920 74.8563 467 0.0000 2.756175 74.9993 468 0.0000 2.758196 75.0543 469 0.0000 2.771973 75.4292 470 0.0000 2.775316 75.5202 471 0.0000 2.785747 75.8040 472 0.0000 2.793507 76.0152 473 0.0000 2.802792 76.2679 474 0.0000 2.808422 76.4211 475 0.0000 2.822473 76.8034 476 0.0000 2.893986 78.7494 477 0.0000 2.915637 79.3385 478 0.0000 2.926194 79.6258 479 0.0000 2.928924 79.7001 480 0.0000 2.937444 79.9319 481 0.0000 2.947476 80.2049 482 0.0000 2.978744 81.0557 483 0.0000 2.983724 81.1913 484 0.0000 2.996645 81.5429 485 0.0000 3.000545 81.6490 486 0.0000 3.009233 81.8854 487 0.0000 3.009798 81.9008 488 0.0000 3.012627 81.9777 489 0.0000 3.014878 82.0390 490 0.0000 3.049208 82.9732 491 0.0000 3.050636 83.0120 492 0.0000 3.051540 83.0366 493 0.0000 3.061231 83.3003 494 0.0000 3.073520 83.6347 495 0.0000 3.087044 84.0027 496 0.0000 3.092133 84.1412 497 0.0000 3.096508 84.2603 498 0.0000 3.104490 84.4775 499 0.0000 3.113714 84.7285 500 0.0000 3.125597 85.0518 501 0.0000 3.130866 85.1952 502 0.0000 3.137187 85.3672 503 0.0000 3.139828 85.4391 504 0.0000 3.141107 85.4739 505 0.0000 3.144176 85.5574 506 0.0000 3.148005 85.6616 507 0.0000 3.167243 86.1851 508 0.0000 3.185440 86.6802 509 0.0000 3.198971 87.0484 510 0.0000 3.199234 87.0556 511 0.0000 3.212129 87.4065 512 0.0000 3.221451 87.6601 513 0.0000 3.245919 88.3259 514 0.0000 3.252205 88.4970 515 0.0000 3.255496 88.5866 516 0.0000 3.268255 88.9337 517 0.0000 3.271306 89.0168 518 0.0000 3.277162 89.1761 519 0.0000 3.281708 89.2998 520 0.0000 3.286641 89.4340 521 0.0000 3.292257 89.5869 522 0.0000 3.293639 89.6245 523 0.0000 3.294753 89.6548 524 0.0000 3.296106 89.6916 525 0.0000 3.308608 90.0318 526 0.0000 3.326527 90.5194 527 0.0000 3.350707 91.1774 528 0.0000 3.356254 91.3283 529 0.0000 3.380812 91.9966 530 0.0000 3.382015 92.0293 531 0.0000 3.397702 92.4562 532 0.0000 3.399243 92.4981 533 0.0000 3.420251 93.0698 534 0.0000 3.432862 93.4129 535 0.0000 3.441180 93.6393 536 0.0000 3.442991 93.6886 537 0.0000 3.455683 94.0339 538 0.0000 3.468539 94.3838 539 0.0000 3.479636 94.6857 540 0.0000 3.495225 95.1099 541 0.0000 3.505696 95.3948 542 0.0000 3.510286 95.5197 543 0.0000 3.527992 96.0015 544 0.0000 3.529240 96.0355 545 0.0000 3.542938 96.4082 546 0.0000 3.570917 97.1696 547 0.0000 3.586213 97.5858 548 0.0000 3.624020 98.6146 549 0.0000 3.632056 98.8333 550 0.0000 3.666303 99.7652 551 0.0000 3.672487 99.9334 552 0.0000 3.678614 100.1002 553 0.0000 3.693551 100.5066 554 0.0000 3.700661 100.7001 555 0.0000 3.712020 101.0092 556 0.0000 3.727461 101.4294 557 0.0000 3.742279 101.8326 558 0.0000 3.746425 101.9454 559 0.0000 3.747371 101.9712 560 0.0000 3.759085 102.2899 561 0.0000 3.809528 103.6625 562 0.0000 3.810126 103.6788 563 0.0000 3.823963 104.0553 564 0.0000 3.832683 104.2926 565 0.0000 3.842312 104.5546 566 0.0000 3.856452 104.9394 567 0.0000 3.865304 105.1803 568 0.0000 3.870526 105.3224 569 0.0000 3.893228 105.9401 570 0.0000 3.894305 105.9694 571 0.0000 3.920931 106.6940 572 0.0000 3.924225 106.7836 573 0.0000 3.930430 106.9525 574 0.0000 3.937591 107.1473 575 0.0000 3.944699 107.3407 576 0.0000 3.949311 107.4662 577 0.0000 3.981828 108.3510 578 0.0000 3.995986 108.7363 579 0.0000 3.997623 108.7808 580 0.0000 4.036561 109.8404 581 0.0000 4.041544 109.9760 582 0.0000 4.080884 111.0465 583 0.0000 4.114727 111.9674 584 0.0000 4.139250 112.6347 585 0.0000 4.140074 112.6571 586 0.0000 4.159523 113.1864 587 0.0000 4.178388 113.6997 588 0.0000 4.192125 114.0735 589 0.0000 4.269384 116.1758 590 0.0000 4.397908 119.6732 591 0.0000 4.399891 119.7271 592 0.0000 4.408958 119.9738 593 0.0000 4.415654 120.1560 594 0.0000 4.448248 121.0430 595 0.0000 4.450981 121.1173 596 0.0000 4.452303 121.1533 597 0.0000 4.463165 121.4489 598 0.0000 4.468434 121.5923 599 0.0000 4.478873 121.8763 600 0.0000 4.481467 121.9469 601 0.0000 4.486735 122.0903 602 0.0000 4.524090 123.1067 603 0.0000 4.531465 123.3074 604 0.0000 4.545213 123.6815 605 0.0000 4.546738 123.7230 606 0.0000 4.572909 124.4352 607 0.0000 4.591895 124.9518 608 0.0000 4.614049 125.5546 609 0.0000 4.633062 126.0720 610 0.0000 4.762684 129.5992 611 0.0000 4.764234 129.6414 612 0.0000 4.829559 131.4190 613 0.0000 4.861104 132.2774 614 0.0000 5.126038 139.4866 615 0.0000 5.129685 139.5858 616 0.0000 5.152022 140.1936 617 0.0000 5.152318 140.2017 618 0.0000 5.153045 140.2215 619 0.0000 5.167708 140.6205 620 0.0000 5.169669 140.6738 621 0.0000 5.170081 140.6851 622 0.0000 5.175806 140.8408 623 0.0000 5.178304 140.9088 624 0.0000 5.179595 140.9440 625 0.0000 5.191369 141.2643 626 0.0000 5.202010 141.5539 627 0.0000 5.203233 141.5872 628 0.0000 5.208110 141.7199 629 0.0000 5.219312 142.0247 630 0.0000 5.227749 142.2543 631 0.0000 5.229037 142.2893 632 0.0000 5.264777 143.2619 633 0.0000 5.279544 143.6637 634 0.0000 5.303677 144.3204 635 0.0000 5.307605 144.4273 636 0.0000 5.314352 144.6109 637 0.0000 5.387804 146.6096 638 0.0000 5.407871 147.1557 639 0.0000 5.411387 147.2513 640 0.0000 5.440597 148.0462 641 0.0000 5.447625 148.2374 642 0.0000 5.469101 148.8218 643 0.0000 5.470026 148.8470 644 0.0000 5.472715 148.9201 645 0.0000 5.477266 149.0440 646 0.0000 5.488278 149.3436 647 0.0000 5.489184 149.3683 648 0.0000 5.492557 149.4601 649 0.0000 5.498821 149.6305 650 0.0000 5.529911 150.4765 651 0.0000 5.533817 150.5828 652 0.0000 5.565253 151.4382 653 0.0000 5.566959 151.4847 654 0.0000 5.580602 151.8559 655 0.0000 5.602572 152.4537 656 0.0000 5.700944 155.1306 657 0.0000 5.703256 155.1935 658 0.0000 5.781835 157.3317 659 0.0000 5.815871 158.2579 660 0.0000 5.918562 161.0523 661 0.0000 5.973400 162.5445 662 0.0000 5.978238 162.6761 663 0.0000 5.990056 162.9977 664 0.0000 5.990613 163.0129 665 0.0000 5.991614 163.0401 666 0.0000 6.005426 163.4160 667 0.0000 6.008788 163.5074 668 0.0000 6.015993 163.7035 669 0.0000 6.018682 163.7767 670 0.0000 6.028579 164.0460 671 0.0000 6.048556 164.5896 672 0.0000 6.048662 164.5925 673 0.0000 6.049204 164.6072 674 0.0000 6.052630 164.7004 675 0.0000 6.076043 165.3375 676 0.0000 6.081580 165.4882 677 0.0000 6.088907 165.6876 678 0.0000 6.094943 165.8518 679 0.0000 6.104534 166.1128 680 0.0000 6.238755 169.7652 681 0.0000 6.240051 169.8004 682 0.0000 6.289607 171.1489 683 0.0000 6.304089 171.5430 684 0.0000 6.307984 171.6490 685 0.0000 6.310121 171.7071 686 0.0000 6.348708 172.7571 687 0.0000 6.377378 173.5373 688 0.0000 6.379771 173.6024 689 0.0000 6.407094 174.3459 690 0.0000 6.414969 174.5602 691 0.0000 6.422593 174.7676 692 0.0000 6.423561 174.7940 693 0.0000 6.428312 174.9233 694 0.0000 6.452664 175.5859 695 0.0000 6.488867 176.5710 696 0.0000 6.497808 176.8143 697 0.0000 6.502676 176.9468 698 0.0000 6.508133 177.0953 699 0.0000 6.516995 177.3364 700 0.0000 6.550038 178.2356 701 0.0000 6.561295 178.5419 702 0.0000 6.570270 178.7861 703 0.0000 6.610396 179.8780 704 0.0000 6.711738 182.6357 705 0.0000 6.724093 182.9719 706 0.0000 6.724203 182.9749 707 0.0000 6.728104 183.0810 708 0.0000 6.775899 184.3816 709 0.0000 6.780693 184.5120 710 0.0000 6.781122 184.5237 711 0.0000 6.782830 184.5702 712 0.0000 6.787957 184.7097 713 0.0000 6.788515 184.7249 714 0.0000 6.790107 184.7682 715 0.0000 6.790712 184.7847 716 0.0000 6.843981 186.2342 717 0.0000 6.868214 186.8936 718 0.0000 6.871155 186.9736 719 0.0000 6.890235 187.4928 720 0.0000 6.938198 188.7980 721 0.0000 6.940851 188.8702 722 0.0000 7.004277 190.5961 723 0.0000 7.012987 190.8331 724 0.0000 7.018352 190.9791 725 0.0000 7.019160 191.0011 726 0.0000 7.058720 192.0775 727 0.0000 7.078152 192.6063 728 0.0000 7.106381 193.3744 729 0.0000 7.111587 193.5161 730 0.0000 7.126737 193.9284 731 0.0000 7.159536 194.8209 732 0.0000 7.164945 194.9681 733 0.0000 7.168169 195.0558 734 0.0000 7.185048 195.5151 735 0.0000 7.227840 196.6795 736 0.0000 7.229801 196.7329 737 0.0000 7.231395 196.7763 738 0.0000 7.233194 196.8252 739 0.0000 7.237131 196.9323 740 0.0000 14.108459 383.9107 741 0.0000 14.140373 384.7791 742 0.0000 14.184633 385.9835 743 0.0000 14.205452 386.5500 744 0.0000 14.206951 386.5908 745 0.0000 14.222183 387.0053 746 0.0000 14.351278 390.5181 747 0.0000 14.409440 392.1008 748 0.0000 14.430064 392.6620 749 0.0000 14.502951 394.6454 750 0.0000 22.341185 607.9346 751 0.0000 22.346322 608.0743 752 0.0000 22.347787 608.1142 753 0.0000 22.349794 608.1688 754 0.0000 23.304729 634.1539 755 0.0000 23.319425 634.5538 756 0.0000 23.321635 634.6139 757 0.0000 23.371790 635.9787 758 0.0000 43.522481 1184.3069 759 0.0000 43.666558 1188.2275 760 0.0000 43.849413 1193.2032 761 0.0000 43.918146 1195.0735 762 0.0000 43.921409 1195.1623 763 0.0000 43.942617 1195.7394 764 0.0000 43.966806 1196.3976 765 0.0000 44.151925 1201.4350 766 0.0000 44.158314 1201.6088 767 0.0000 44.178662 1202.1625 768 0.0000 45.323352 1233.3111 769 0.0000 45.938954 1250.0625 SPIN DOWN ORBITALS NO OCC E(Eh) E(eV) 0 1.0000 -824.225545 -22428.3173 1 1.0000 -824.225488 -22428.3158 2 1.0000 -117.545041 -3198.5632 3 1.0000 -117.544983 -3198.5616 4 1.0000 -108.877860 -2962.7172 5 1.0000 -108.877800 -2962.7156 6 1.0000 -108.876713 -2962.6860 7 1.0000 -108.876660 -2962.6845 8 1.0000 -108.873608 -2962.6015 9 1.0000 -108.873548 -2962.5999 10 1.0000 -21.100735 -574.1802 11 1.0000 -21.100673 -574.1785 12 1.0000 -19.074191 -519.0351 13 1.0000 -19.074135 -519.0336 14 1.0000 -19.067535 -518.8540 15 1.0000 -19.067498 -518.8530 16 1.0000 -19.065409 -518.7962 17 1.0000 -19.065353 -518.7946 18 1.0000 -19.065341 -518.7943 19 1.0000 -19.065309 -518.7934 20 1.0000 -19.064392 -518.7685 21 1.0000 -19.064375 -518.7680 22 1.0000 -17.659957 -480.5519 23 1.0000 -17.659904 -480.5504 24 1.0000 -17.656078 -480.4463 25 1.0000 -17.656021 -480.4448 26 1.0000 -17.647852 -480.2225 27 1.0000 -17.647788 -480.2207 28 1.0000 -11.341593 -308.6204 29 1.0000 -11.341537 -308.6189 30 1.0000 -11.339617 -308.5667 31 1.0000 -11.339565 -308.5653 32 1.0000 -11.336175 -308.4730 33 1.0000 -11.336112 -308.4713 34 1.0000 -11.333665 -308.4047 35 1.0000 -11.333612 -308.4033 36 1.0000 -11.328031 -308.2514 37 1.0000 -11.327970 -308.2497 38 1.0000 -10.242204 -278.7045 39 1.0000 -10.242186 -278.7041 40 1.0000 -10.242052 -278.7004 41 1.0000 -10.241968 -278.6981 42 1.0000 -10.118567 -275.3402 43 1.0000 -10.118518 -275.3389 44 1.0000 -10.118420 -275.3362 45 1.0000 -10.118404 -275.3358 46 1.0000 -2.906543 -79.0910 47 1.0000 -2.903270 -79.0020 48 1.0000 -1.867594 -50.8198 49 1.0000 -1.865199 -50.7547 50 1.0000 -1.859416 -50.5973 51 1.0000 -1.856710 -50.5237 52 1.0000 -1.844363 -50.1877 53 1.0000 -1.822290 -49.5870 54 1.0000 -1.057211 -28.7682 55 1.0000 -1.052403 -28.6373 56 1.0000 -1.051768 -28.6201 57 1.0000 -1.051312 -28.6077 58 1.0000 -1.004183 -27.3252 59 1.0000 -1.004120 -27.3235 60 1.0000 -0.973587 -26.4927 61 1.0000 -0.969117 -26.3710 62 1.0000 -0.968590 -26.3567 63 1.0000 -0.967266 -26.3206 64 1.0000 -0.721682 -19.6380 65 1.0000 -0.720135 -19.5959 66 1.0000 -0.719401 -19.5759 67 1.0000 -0.719035 -19.5659 68 1.0000 -0.548459 -14.9243 69 1.0000 -0.542715 -14.7680 70 1.0000 -0.535108 -14.5610 71 1.0000 -0.533213 -14.5095 72 1.0000 -0.520344 -14.1593 73 1.0000 -0.517984 -14.0951 74 1.0000 -0.493853 -13.4384 75 1.0000 -0.488022 -13.2797 76 1.0000 -0.468254 -12.7418 77 1.0000 -0.466859 -12.7039 78 1.0000 -0.459506 -12.5038 79 1.0000 -0.454705 -12.3732 80 1.0000 -0.453597 -12.3430 81 1.0000 -0.452784 -12.3209 82 1.0000 -0.444874 -12.1056 83 1.0000 -0.442963 -12.0536 84 1.0000 -0.442777 -12.0486 85 1.0000 -0.435169 -11.8415 86 1.0000 -0.403945 -10.9919 87 1.0000 -0.400821 -10.9069 88 1.0000 -0.387628 -10.5479 89 1.0000 -0.386948 -10.5294 90 1.0000 -0.386721 -10.5232 91 1.0000 -0.386137 -10.5073 92 1.0000 -0.379887 -10.3373 93 1.0000 -0.367339 -9.9958 94 1.0000 -0.367059 -9.9882 95 1.0000 -0.357561 -9.7297 96 1.0000 -0.346895 -9.4395 97 1.0000 -0.337225 -9.1764 98 1.0000 -0.334760 -9.1093 99 1.0000 -0.330478 -8.9928 100 1.0000 -0.329107 -8.9554 101 1.0000 -0.306593 -8.3428 102 1.0000 -0.302307 -8.2262 103 1.0000 -0.301736 -8.2107 104 1.0000 -0.301571 -8.2062 105 1.0000 -0.299570 -8.1517 106 1.0000 -0.298398 -8.1198 107 1.0000 -0.287392 -7.8203 108 1.0000 -0.283832 -7.7235 109 1.0000 -0.282289 -7.6815 110 1.0000 -0.246299 -6.7021 111 1.0000 -0.239179 -6.5084 112 1.0000 -0.228179 -6.2091 113 1.0000 -0.224298 -6.1035 114 1.0000 -0.199562 -5.4304 115 1.0000 -0.193021 -5.2524 116 0.0000 -0.145119 -3.9489 117 0.0000 -0.072346 -1.9686 118 0.0000 -0.066438 -1.8079 119 0.0000 -0.058653 -1.5960 120 0.0000 -0.016858 -0.4587 121 0.0000 -0.016515 -0.4494 122 0.0000 -0.010220 -0.2781 123 0.0000 -0.004276 -0.1164 124 0.0000 0.008472 0.2305 125 0.0000 0.021246 0.5781 126 0.0000 0.047474 1.2918 127 0.0000 0.054359 1.4792 128 0.0000 0.054956 1.4954 129 0.0000 0.072638 1.9766 130 0.0000 0.104680 2.8485 131 0.0000 0.107264 2.9188 132 0.0000 0.112475 3.0606 133 0.0000 0.113743 3.0951 134 0.0000 0.118467 3.2237 135 0.0000 0.118943 3.2366 136 0.0000 0.121634 3.3098 137 0.0000 0.123830 3.3696 138 0.0000 0.125346 3.4108 139 0.0000 0.130056 3.5390 140 0.0000 0.134445 3.6584 141 0.0000 0.135540 3.6882 142 0.0000 0.141500 3.8504 143 0.0000 0.148131 4.0309 144 0.0000 0.149146 4.0585 145 0.0000 0.149894 4.0788 146 0.0000 0.162469 4.4210 147 0.0000 0.162571 4.4238 148 0.0000 0.163976 4.4620 149 0.0000 0.187237 5.0950 150 0.0000 0.197698 5.3796 151 0.0000 0.200965 5.4685 152 0.0000 0.205819 5.6006 153 0.0000 0.213221 5.8020 154 0.0000 0.219341 5.9686 155 0.0000 0.221181 6.0186 156 0.0000 0.227493 6.1904 157 0.0000 0.231144 6.2898 158 0.0000 0.236158 6.4262 159 0.0000 0.250671 6.8211 160 0.0000 0.255294 6.9469 161 0.0000 0.256688 6.9848 162 0.0000 0.261356 7.1119 163 0.0000 0.263039 7.1576 164 0.0000 0.272424 7.4130 165 0.0000 0.278359 7.5745 166 0.0000 0.290490 7.9046 167 0.0000 0.303291 8.2530 168 0.0000 0.316014 8.5992 169 0.0000 0.318722 8.6729 170 0.0000 0.321129 8.7384 171 0.0000 0.323131 8.7928 172 0.0000 0.352253 9.5853 173 0.0000 0.364803 9.9268 174 0.0000 0.366737 9.9794 175 0.0000 0.374104 10.1799 176 0.0000 0.385443 10.4884 177 0.0000 0.390724 10.6321 178 0.0000 0.390823 10.6348 179 0.0000 0.393594 10.7102 180 0.0000 0.394651 10.7390 181 0.0000 0.395858 10.7718 182 0.0000 0.397864 10.8264 183 0.0000 0.399811 10.8794 184 0.0000 0.402650 10.9567 185 0.0000 0.403756 10.9868 186 0.0000 0.404617 11.0102 187 0.0000 0.406675 11.0662 188 0.0000 0.410757 11.1773 189 0.0000 0.412827 11.2336 190 0.0000 0.413605 11.2548 191 0.0000 0.420296 11.4368 192 0.0000 0.436939 11.8897 193 0.0000 0.440673 11.9913 194 0.0000 0.444108 12.0848 195 0.0000 0.446387 12.1468 196 0.0000 0.447489 12.1768 197 0.0000 0.455889 12.4054 198 0.0000 0.457757 12.4562 199 0.0000 0.462171 12.5763 200 0.0000 0.465788 12.6747 201 0.0000 0.480897 13.0859 202 0.0000 0.496338 13.5060 203 0.0000 0.499721 13.5981 204 0.0000 0.504997 13.7417 205 0.0000 0.505343 13.7511 206 0.0000 0.508035 13.8243 207 0.0000 0.510992 13.9048 208 0.0000 0.511832 13.9277 209 0.0000 0.517967 14.0946 210 0.0000 0.521209 14.1828 211 0.0000 0.531486 14.4625 212 0.0000 0.539739 14.6870 213 0.0000 0.545429 14.8419 214 0.0000 0.555780 15.1235 215 0.0000 0.562519 15.3069 216 0.0000 0.575790 15.6680 217 0.0000 0.581694 15.8287 218 0.0000 0.586677 15.9643 219 0.0000 0.592316 16.1177 220 0.0000 0.609682 16.5903 221 0.0000 0.612395 16.6641 222 0.0000 0.615859 16.7584 223 0.0000 0.627482 17.0746 224 0.0000 0.638988 17.3877 225 0.0000 0.649190 17.6653 226 0.0000 0.652175 17.7466 227 0.0000 0.653916 17.7939 228 0.0000 0.659429 17.9440 229 0.0000 0.659906 17.9569 230 0.0000 0.667364 18.1599 231 0.0000 0.668012 18.1775 232 0.0000 0.684253 18.6195 233 0.0000 0.698679 19.0120 234 0.0000 0.716376 19.4936 235 0.0000 0.728619 19.8267 236 0.0000 0.744040 20.2464 237 0.0000 0.751131 20.4393 238 0.0000 0.752913 20.4878 239 0.0000 0.767631 20.8883 240 0.0000 0.768601 20.9147 241 0.0000 0.775036 21.0898 242 0.0000 0.781746 21.2724 243 0.0000 0.783686 21.3252 244 0.0000 0.795257 21.6400 245 0.0000 0.812679 22.1141 246 0.0000 0.813582 22.1387 247 0.0000 0.819172 22.2908 248 0.0000 0.822407 22.3788 249 0.0000 0.831100 22.6154 250 0.0000 0.841432 22.8965 251 0.0000 0.848141 23.0791 252 0.0000 0.850068 23.1315 253 0.0000 0.863345 23.4928 254 0.0000 0.864868 23.5343 255 0.0000 0.893251 24.3066 256 0.0000 0.896808 24.4034 257 0.0000 0.906433 24.6653 258 0.0000 0.915073 24.9004 259 0.0000 0.915990 24.9254 260 0.0000 0.935602 25.4590 261 0.0000 0.943526 25.6746 262 0.0000 0.943993 25.6874 263 0.0000 0.951766 25.8989 264 0.0000 0.962825 26.1998 265 0.0000 0.967093 26.3159 266 0.0000 0.969787 26.3893 267 0.0000 0.974866 26.5275 268 0.0000 0.983175 26.7536 269 0.0000 0.999983 27.2109 270 0.0000 1.006187 27.3797 271 0.0000 1.013425 27.5767 272 0.0000 1.024082 27.8667 273 0.0000 1.028584 27.9892 274 0.0000 1.036079 28.1932 275 0.0000 1.039920 28.2977 276 0.0000 1.040784 28.3212 277 0.0000 1.044942 28.4343 278 0.0000 1.063660 28.9437 279 0.0000 1.068744 29.0820 280 0.0000 1.077066 29.3085 281 0.0000 1.084720 29.5167 282 0.0000 1.086628 29.5687 283 0.0000 1.096209 29.8294 284 0.0000 1.101409 29.9709 285 0.0000 1.144244 31.1365 286 0.0000 1.147258 31.2185 287 0.0000 1.151592 31.3364 288 0.0000 1.160279 31.5728 289 0.0000 1.182852 32.1870 290 0.0000 1.215960 33.0880 291 0.0000 1.222611 33.2689 292 0.0000 1.243210 33.8295 293 0.0000 1.252737 34.0887 294 0.0000 1.253842 34.1188 295 0.0000 1.261753 34.3341 296 0.0000 1.291721 35.1495 297 0.0000 1.301506 35.4158 298 0.0000 1.318961 35.8908 299 0.0000 1.328940 36.1623 300 0.0000 1.352540 36.8045 301 0.0000 1.387107 37.7451 302 0.0000 1.388912 37.7942 303 0.0000 1.412244 38.4291 304 0.0000 1.424771 38.7700 305 0.0000 1.429259 38.8921 306 0.0000 1.434681 39.0397 307 0.0000 1.440924 39.2095 308 0.0000 1.442570 39.2543 309 0.0000 1.447209 39.3806 310 0.0000 1.453849 39.5612 311 0.0000 1.460078 39.7307 312 0.0000 1.466114 39.8950 313 0.0000 1.472327 40.0641 314 0.0000 1.472457 40.0676 315 0.0000 1.481010 40.3003 316 0.0000 1.489249 40.5245 317 0.0000 1.497098 40.7381 318 0.0000 1.512665 41.1617 319 0.0000 1.522211 41.4215 320 0.0000 1.523610 41.4595 321 0.0000 1.529217 41.6121 322 0.0000 1.532724 41.7075 323 0.0000 1.536303 41.8049 324 0.0000 1.538008 41.8513 325 0.0000 1.540351 41.9151 326 0.0000 1.542298 41.9681 327 0.0000 1.551287 42.2127 328 0.0000 1.554592 42.3026 329 0.0000 1.557018 42.3686 330 0.0000 1.562417 42.5155 331 0.0000 1.569870 42.7183 332 0.0000 1.572694 42.7952 333 0.0000 1.579819 42.9891 334 0.0000 1.585113 43.1331 335 0.0000 1.597958 43.4826 336 0.0000 1.600368 43.5482 337 0.0000 1.602872 43.6164 338 0.0000 1.610328 43.8192 339 0.0000 1.611068 43.8394 340 0.0000 1.636028 44.5186 341 0.0000 1.641841 44.6768 342 0.0000 1.647607 44.8337 343 0.0000 1.648289 44.8522 344 0.0000 1.653640 44.9978 345 0.0000 1.720987 46.8304 346 0.0000 1.726692 46.9857 347 0.0000 1.745674 47.5022 348 0.0000 1.746901 47.5356 349 0.0000 1.755815 47.7782 350 0.0000 1.793561 48.8053 351 0.0000 1.794266 48.8245 352 0.0000 1.805114 49.1196 353 0.0000 1.811528 49.2942 354 0.0000 1.815424 49.4002 355 0.0000 1.822466 49.5918 356 0.0000 1.831973 49.8505 357 0.0000 1.834348 49.9152 358 0.0000 1.854960 50.4760 359 0.0000 1.863138 50.6986 360 0.0000 1.865049 50.7506 361 0.0000 1.869714 50.8775 362 0.0000 1.879826 51.1527 363 0.0000 1.890299 51.4376 364 0.0000 1.895971 51.5920 365 0.0000 1.897399 51.6309 366 0.0000 1.900187 51.7067 367 0.0000 1.903881 51.8072 368 0.0000 1.914393 52.0933 369 0.0000 1.928312 52.4720 370 0.0000 1.946402 52.9643 371 0.0000 1.954303 53.1793 372 0.0000 1.964581 53.4590 373 0.0000 1.973089 53.6905 374 0.0000 1.982734 53.9529 375 0.0000 1.984315 53.9959 376 0.0000 1.988935 54.1217 377 0.0000 2.006641 54.6035 378 0.0000 2.016229 54.8644 379 0.0000 2.033950 55.3466 380 0.0000 2.042511 55.5796 381 0.0000 2.051439 55.8225 382 0.0000 2.070285 56.3353 383 0.0000 2.074329 56.4454 384 0.0000 2.074962 56.4626 385 0.0000 2.081514 56.6409 386 0.0000 2.096414 57.0463 387 0.0000 2.104290 57.2606 388 0.0000 2.110883 57.4400 389 0.0000 2.114439 57.5368 390 0.0000 2.115180 57.5570 391 0.0000 2.123068 57.7716 392 0.0000 2.123485 57.7830 393 0.0000 2.127970 57.9050 394 0.0000 2.133030 58.0427 395 0.0000 2.146437 58.4075 396 0.0000 2.153926 58.6113 397 0.0000 2.162891 58.8552 398 0.0000 2.171034 59.0768 399 0.0000 2.173254 59.1373 400 0.0000 2.181061 59.3497 401 0.0000 2.186166 59.4886 402 0.0000 2.191661 59.6381 403 0.0000 2.203378 59.9570 404 0.0000 2.213707 60.2380 405 0.0000 2.220759 60.4299 406 0.0000 2.221425 60.4481 407 0.0000 2.233681 60.7815 408 0.0000 2.235921 60.8425 409 0.0000 2.239789 60.9478 410 0.0000 2.245601 61.1059 411 0.0000 2.248945 61.1969 412 0.0000 2.259986 61.4973 413 0.0000 2.262037 61.5531 414 0.0000 2.277365 61.9702 415 0.0000 2.281093 62.0717 416 0.0000 2.281886 62.0933 417 0.0000 2.303807 62.6898 418 0.0000 2.316451 63.0338 419 0.0000 2.319322 63.1120 420 0.0000 2.319703 63.1223 421 0.0000 2.333722 63.5038 422 0.0000 2.339121 63.6507 423 0.0000 2.345849 63.8338 424 0.0000 2.347073 63.8671 425 0.0000 2.353515 64.0424 426 0.0000 2.361033 64.2470 427 0.0000 2.377757 64.7021 428 0.0000 2.389036 65.0090 429 0.0000 2.390350 65.0447 430 0.0000 2.397303 65.2339 431 0.0000 2.423252 65.9400 432 0.0000 2.425389 65.9982 433 0.0000 2.432020 66.1786 434 0.0000 2.432505 66.1918 435 0.0000 2.438960 66.3675 436 0.0000 2.454606 66.7932 437 0.0000 2.461954 66.9932 438 0.0000 2.467664 67.1486 439 0.0000 2.513760 68.4029 440 0.0000 2.514268 68.4167 441 0.0000 2.521897 68.6243 442 0.0000 2.545719 69.2725 443 0.0000 2.550188 69.3941 444 0.0000 2.555728 69.5449 445 0.0000 2.560333 69.6702 446 0.0000 2.560952 69.6870 447 0.0000 2.585365 70.3514 448 0.0000 2.599706 70.7416 449 0.0000 2.608401 70.9782 450 0.0000 2.609851 71.0176 451 0.0000 2.616149 71.1890 452 0.0000 2.627547 71.4992 453 0.0000 2.637539 71.7711 454 0.0000 2.645413 71.9853 455 0.0000 2.646248 72.0081 456 0.0000 2.666512 72.5595 457 0.0000 2.679627 72.9164 458 0.0000 2.691478 73.2388 459 0.0000 2.695522 73.3489 460 0.0000 2.709570 73.7312 461 0.0000 2.712194 73.8026 462 0.0000 2.715870 73.9026 463 0.0000 2.719949 74.0136 464 0.0000 2.726322 74.1870 465 0.0000 2.750986 74.8581 466 0.0000 2.751834 74.8812 467 0.0000 2.757270 75.0291 468 0.0000 2.758764 75.0698 469 0.0000 2.772718 75.4495 470 0.0000 2.777931 75.5913 471 0.0000 2.787575 75.8538 472 0.0000 2.795464 76.0685 473 0.0000 2.803329 76.2825 474 0.0000 2.810676 76.4824 475 0.0000 2.824585 76.8609 476 0.0000 2.894424 78.7613 477 0.0000 2.916459 79.3609 478 0.0000 2.926771 79.6415 479 0.0000 2.929431 79.7139 480 0.0000 2.938033 79.9479 481 0.0000 2.947930 80.2172 482 0.0000 2.979642 81.0802 483 0.0000 2.984098 81.2014 484 0.0000 2.997358 81.5623 485 0.0000 3.000986 81.6610 486 0.0000 3.009544 81.8939 487 0.0000 3.010357 81.9160 488 0.0000 3.013438 81.9998 489 0.0000 3.015597 82.0586 490 0.0000 3.049514 82.9815 491 0.0000 3.051601 83.0383 492 0.0000 3.051954 83.0479 493 0.0000 3.061901 83.3186 494 0.0000 3.075124 83.6784 495 0.0000 3.087439 84.0135 496 0.0000 3.092709 84.1569 497 0.0000 3.097514 84.2877 498 0.0000 3.105002 84.4914 499 0.0000 3.113826 84.7315 500 0.0000 3.125981 85.0623 501 0.0000 3.132029 85.2268 502 0.0000 3.137798 85.3838 503 0.0000 3.140241 85.4503 504 0.0000 3.141481 85.4840 505 0.0000 3.144515 85.5666 506 0.0000 3.148484 85.6746 507 0.0000 3.168092 86.2082 508 0.0000 3.187338 86.7319 509 0.0000 3.199661 87.0672 510 0.0000 3.199928 87.0745 511 0.0000 3.212461 87.4155 512 0.0000 3.222223 87.6811 513 0.0000 3.246449 88.3404 514 0.0000 3.253419 88.5300 515 0.0000 3.256356 88.6099 516 0.0000 3.268582 88.9426 517 0.0000 3.271992 89.0354 518 0.0000 3.278490 89.2123 519 0.0000 3.282042 89.3089 520 0.0000 3.287390 89.4544 521 0.0000 3.293527 89.6214 522 0.0000 3.293700 89.6261 523 0.0000 3.295083 89.6638 524 0.0000 3.296931 89.7140 525 0.0000 3.309130 90.0460 526 0.0000 3.327704 90.5514 527 0.0000 3.351988 91.2122 528 0.0000 3.357244 91.3553 529 0.0000 3.381515 92.0157 530 0.0000 3.382704 92.0481 531 0.0000 3.398271 92.4717 532 0.0000 3.400203 92.5242 533 0.0000 3.421523 93.1044 534 0.0000 3.433188 93.4218 535 0.0000 3.441958 93.6605 536 0.0000 3.443565 93.7042 537 0.0000 3.456890 94.0668 538 0.0000 3.469856 94.4196 539 0.0000 3.480690 94.7144 540 0.0000 3.495999 95.1310 541 0.0000 3.506844 95.4261 542 0.0000 3.510555 95.5271 543 0.0000 3.528396 96.0125 544 0.0000 3.529567 96.0444 545 0.0000 3.544787 96.4586 546 0.0000 3.571893 97.1961 547 0.0000 3.586536 97.5946 548 0.0000 3.624765 98.6349 549 0.0000 3.632850 98.8549 550 0.0000 3.671571 99.9085 551 0.0000 3.676517 100.0431 552 0.0000 3.681343 100.1744 553 0.0000 3.695772 100.5671 554 0.0000 3.701909 100.7341 555 0.0000 3.713927 101.0611 556 0.0000 3.733994 101.6071 557 0.0000 3.744872 101.9031 558 0.0000 3.749599 102.0318 559 0.0000 3.755435 102.1906 560 0.0000 3.761117 102.3452 561 0.0000 3.815459 103.8239 562 0.0000 3.818498 103.9066 563 0.0000 3.827698 104.1570 564 0.0000 3.834602 104.3448 565 0.0000 3.847466 104.6949 566 0.0000 3.864178 105.1496 567 0.0000 3.869182 105.2858 568 0.0000 3.875691 105.4629 569 0.0000 3.901423 106.1631 570 0.0000 3.906812 106.3098 571 0.0000 3.921827 106.7183 572 0.0000 3.924383 106.7879 573 0.0000 3.932368 107.0052 574 0.0000 3.937634 107.1485 575 0.0000 3.949401 107.4687 576 0.0000 3.953201 107.5721 577 0.0000 3.983595 108.3991 578 0.0000 3.998801 108.8129 579 0.0000 4.000531 108.8600 580 0.0000 4.039913 109.9316 581 0.0000 4.061336 110.5146 582 0.0000 4.087232 111.2192 583 0.0000 4.121883 112.1621 584 0.0000 4.141107 112.6852 585 0.0000 4.148665 112.8909 586 0.0000 4.165497 113.3489 587 0.0000 4.197066 114.2080 588 0.0000 4.197272 114.2136 589 0.0000 4.284255 116.5805 590 0.0000 4.397790 119.6700 591 0.0000 4.399894 119.7272 592 0.0000 4.409270 119.9823 593 0.0000 4.416753 120.1860 594 0.0000 4.449204 121.0690 595 0.0000 4.451074 121.1199 596 0.0000 4.452727 121.1649 597 0.0000 4.463287 121.4522 598 0.0000 4.468817 121.6027 599 0.0000 4.479131 121.8834 600 0.0000 4.481991 121.9612 601 0.0000 4.487647 122.1151 602 0.0000 4.527416 123.1973 603 0.0000 4.532150 123.3261 604 0.0000 4.546005 123.7031 605 0.0000 4.547094 123.7327 606 0.0000 4.573512 124.4516 607 0.0000 4.592023 124.9553 608 0.0000 4.615909 125.6053 609 0.0000 4.633512 126.0843 610 0.0000 4.762782 129.6019 611 0.0000 4.764937 129.6605 612 0.0000 4.830937 131.4565 613 0.0000 4.861428 132.2862 614 0.0000 5.128637 139.5573 615 0.0000 5.132314 139.6574 616 0.0000 5.152995 140.2201 617 0.0000 5.153567 140.2357 618 0.0000 5.155197 140.2800 619 0.0000 5.169279 140.6632 620 0.0000 5.170828 140.7054 621 0.0000 5.172179 140.7421 622 0.0000 5.176660 140.8641 623 0.0000 5.179165 140.9322 624 0.0000 5.181447 140.9943 625 0.0000 5.193374 141.3189 626 0.0000 5.202906 141.5783 627 0.0000 5.205280 141.6429 628 0.0000 5.209158 141.7484 629 0.0000 5.221623 142.0876 630 0.0000 5.229392 142.2990 631 0.0000 5.229994 142.3154 632 0.0000 5.267295 143.3304 633 0.0000 5.282644 143.7481 634 0.0000 5.304541 144.3439 635 0.0000 5.308984 144.4648 636 0.0000 5.315357 144.6382 637 0.0000 5.388904 146.6395 638 0.0000 5.410860 147.2370 639 0.0000 5.414208 147.3281 640 0.0000 5.443391 148.1222 641 0.0000 5.450357 148.3118 642 0.0000 5.471242 148.8801 643 0.0000 5.472184 148.9057 644 0.0000 5.477907 149.0614 645 0.0000 5.478781 149.0852 646 0.0000 5.489500 149.3769 647 0.0000 5.491222 149.4238 648 0.0000 5.492721 149.4645 649 0.0000 5.499561 149.6507 650 0.0000 5.533354 150.5702 651 0.0000 5.534781 150.6090 652 0.0000 5.567142 151.4896 653 0.0000 5.568267 151.5203 654 0.0000 5.581558 151.8819 655 0.0000 5.603767 152.4862 656 0.0000 5.703894 155.2108 657 0.0000 5.705729 155.2608 658 0.0000 5.783038 157.3645 659 0.0000 5.817216 158.2945 660 0.0000 5.941714 161.6823 661 0.0000 5.980259 162.7311 662 0.0000 5.982357 162.7882 663 0.0000 5.990627 163.0133 664 0.0000 5.991600 163.0397 665 0.0000 5.993761 163.0985 666 0.0000 6.007689 163.4775 667 0.0000 6.011341 163.5769 668 0.0000 6.019433 163.7971 669 0.0000 6.027473 164.0159 670 0.0000 6.030318 164.0933 671 0.0000 6.048921 164.5995 672 0.0000 6.051196 164.6614 673 0.0000 6.051865 164.6796 674 0.0000 6.053079 164.7126 675 0.0000 6.082462 165.5122 676 0.0000 6.086387 165.6190 677 0.0000 6.097051 165.9092 678 0.0000 6.107365 166.1898 679 0.0000 6.111051 166.2901 680 0.0000 6.242163 169.8579 681 0.0000 6.243892 169.9050 682 0.0000 6.290986 171.1864 683 0.0000 6.306991 171.6220 684 0.0000 6.309230 171.6829 685 0.0000 6.311232 171.7373 686 0.0000 6.349652 172.7828 687 0.0000 6.378392 173.5649 688 0.0000 6.381715 173.6553 689 0.0000 6.409823 174.4202 690 0.0000 6.417395 174.6262 691 0.0000 6.423839 174.8016 692 0.0000 6.426754 174.8809 693 0.0000 6.431059 174.9980 694 0.0000 6.454272 175.6297 695 0.0000 6.494268 176.7180 696 0.0000 6.499011 176.8471 697 0.0000 6.504833 177.0055 698 0.0000 6.510420 177.1575 699 0.0000 6.520886 177.4423 700 0.0000 6.551531 178.2762 701 0.0000 6.565216 178.6486 702 0.0000 6.571823 178.8284 703 0.0000 6.615638 180.0207 704 0.0000 6.713625 182.6870 705 0.0000 6.725787 183.0180 706 0.0000 6.729122 183.1087 707 0.0000 6.730266 183.1398 708 0.0000 6.777067 184.4134 709 0.0000 6.781598 184.5367 710 0.0000 6.781935 184.5458 711 0.0000 6.784797 184.6237 712 0.0000 6.789877 184.7619 713 0.0000 6.790443 184.7773 714 0.0000 6.791636 184.8098 715 0.0000 6.793152 184.8511 716 0.0000 6.844770 186.2557 717 0.0000 6.870306 186.9505 718 0.0000 6.873121 187.0271 719 0.0000 6.891067 187.5155 720 0.0000 6.941026 188.8749 721 0.0000 6.943819 188.9509 722 0.0000 7.006203 190.6485 723 0.0000 7.015231 190.8941 724 0.0000 7.019456 191.0091 725 0.0000 7.019862 191.0202 726 0.0000 7.061448 192.1518 727 0.0000 7.080407 192.6677 728 0.0000 7.108281 193.4262 729 0.0000 7.112011 193.5277 730 0.0000 7.128115 193.9659 731 0.0000 7.160954 194.8595 732 0.0000 7.167389 195.0346 733 0.0000 7.169717 195.0979 734 0.0000 7.186445 195.5531 735 0.0000 7.230414 196.7496 736 0.0000 7.231627 196.7826 737 0.0000 7.232353 196.8023 738 0.0000 7.234058 196.8487 739 0.0000 7.238142 196.9598 740 0.0000 14.121933 384.2773 741 0.0000 14.153869 385.1464 742 0.0000 14.208865 386.6429 743 0.0000 14.221415 386.9844 744 0.0000 14.230069 387.2199 745 0.0000 14.236227 387.3874 746 0.0000 14.376118 391.1940 747 0.0000 14.424688 392.5157 748 0.0000 14.445217 393.0743 749 0.0000 14.527467 395.3125 750 0.0000 22.341126 607.9329 751 0.0000 22.346261 608.0727 752 0.0000 22.347728 608.1126 753 0.0000 22.349736 608.1672 754 0.0000 23.304755 634.1546 755 0.0000 23.319530 634.5567 756 0.0000 23.321574 634.6123 757 0.0000 23.371809 635.9792 758 0.0000 43.524261 1184.3553 759 0.0000 43.668171 1188.2713 760 0.0000 43.850125 1193.2226 761 0.0000 43.919255 1195.1037 762 0.0000 43.921593 1195.1673 763 0.0000 43.943747 1195.7701 764 0.0000 43.967450 1196.4151 765 0.0000 44.153216 1201.4701 766 0.0000 44.158287 1201.6081 767 0.0000 44.179293 1202.1797 768 0.0000 45.337053 1233.6839 769 0.0000 45.953440 1250.4567 ------------------ MOLECULAR ORBITALS ------------------ 0 1 2 3 4 5 -824.22547 -824.22542 -117.55143 -117.55136 -108.88284 -108.88278 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s -0.017592 -0.996251 -0.002897 -0.333049 -0.000000 -0.000006 0Rh 2s -0.000094 -0.006073 0.009253 1.060416 -0.000003 0.000015 0Rh 3s 0.000134 0.006525 0.000618 0.067671 -0.000004 -0.000001 0Rh 4s -0.000181 -0.007718 -0.000398 -0.037280 0.000011 0.000005 0Rh 5s 0.000107 0.002807 0.000170 0.007542 -0.000015 -0.000009 0Rh 6s -0.000093 -0.001357 -0.000159 -0.003012 0.000015 0.000016 0Rh 7s 0.000244 0.001175 0.000483 0.002321 0.000078 -0.000061 0Rh 8s 0.000174 0.000122 0.000337 0.000250 -0.000021 0.000057 0Rh 1pz 0.000000 -0.000000 0.000001 0.000077 -0.003017 -0.237063 0Rh 1px -0.000001 0.000000 -0.000003 -0.000222 -0.003803 -0.290340 0Rh 1py -0.000000 0.000000 -0.000001 -0.000067 0.011744 0.915638 0Rh 2pz -0.000001 -0.000001 -0.000002 0.000004 -0.000084 -0.006542 0Rh 2px 0.000004 0.000001 0.000007 -0.000011 -0.000107 -0.008012 0Rh 2py 0.000001 0.000000 0.000001 -0.000004 0.000328 0.025263 0Rh 3pz 0.000006 0.000003 0.000011 0.000001 0.000042 0.002875 0Rh 3px -0.000019 -0.000008 -0.000037 -0.000003 0.000057 0.003528 0Rh 3py -0.000004 -0.000001 -0.000007 0.000001 -0.000167 -0.011105 0Rh 4pz -0.000012 -0.000006 -0.000023 -0.000006 -0.000043 -0.002047 0Rh 4px 0.000041 0.000014 0.000081 0.000014 -0.000059 -0.002528 0Rh 4py 0.000007 0.000002 0.000015 0.000000 0.000172 0.007925 0Rh 5pz 0.000008 0.000003 0.000018 0.000002 0.000046 0.000934 0Rh 5px -0.000033 -0.000005 -0.000070 0.000004 0.000050 0.001188 0Rh 5py -0.000006 0.000002 -0.000013 0.000006 -0.000176 -0.003655 0Rh 6pz 0.000138 0.000082 0.000269 0.000173 -0.000187 -0.000285 0Rh 6px -0.000390 -0.000271 -0.000763 -0.000567 -0.000307 -0.000667 0Rh 6py -0.000055 -0.000109 -0.000106 -0.000219 0.000835 0.001488 0Rh 1dz2 -0.000000 0.000000 -0.000000 -0.000017 -0.000001 -0.000002 0Rh 1dxz -0.000000 0.000000 -0.000000 -0.000001 0.000001 0.000003 0Rh 1dyz -0.000000 0.000000 -0.000000 -0.000014 0.000002 0.000006 0Rh 1dx2y2 0.000000 -0.000000 0.000000 -0.000014 0.000002 0.000009 0Rh 1dxy 0.000000 -0.000000 0.000000 -0.000012 -0.000005 -0.000014 0Rh 2dz2 0.000001 -0.000001 0.000001 0.000009 0.000002 0.000002 0Rh 2dxz 0.000001 -0.000001 0.000001 0.000001 -0.000005 -0.000004 0Rh 2dyz 0.000000 -0.000000 0.000000 0.000008 -0.000008 -0.000006 0Rh 2dx2y2 -0.000001 0.000001 -0.000001 0.000006 -0.000008 -0.000008 0Rh 2dxy -0.000000 0.000001 -0.000000 0.000007 0.000019 0.000015 0Rh 3dz2 -0.000002 0.000002 -0.000002 -0.000002 -0.000005 -0.000002 0Rh 3dxz -0.000002 0.000002 -0.000003 0.000002 0.000012 0.000006 0Rh 3dyz -0.000000 0.000001 -0.000001 -0.000003 0.000019 0.000007 0Rh 3dx2y2 0.000003 -0.000004 0.000004 -0.000009 0.000018 0.000010 0Rh 3dxy 0.000001 -0.000003 0.000002 -0.000008 -0.000046 -0.000023 0Rh 4dz2 0.000005 -0.000006 0.000008 -0.000007 0.000007 0.000001 0Rh 4dxz 0.000007 -0.000007 0.000012 -0.000010 -0.000025 -0.000009 0Rh 4dyz 0.000001 -0.000002 0.000002 -0.000001 -0.000036 -0.000005 0Rh 4dx2y2 -0.000011 0.000011 -0.000017 0.000020 -0.000030 -0.000007 0Rh 4dxy -0.000004 0.000007 -0.000006 0.000014 0.000088 0.000024 0Rh 5dz2 -0.000026 0.000029 -0.000049 0.000050 -0.000001 0.000014 0Rh 5dxz -0.000036 0.000035 -0.000068 0.000062 0.000043 0.000005 0Rh 5dyz -0.000006 0.000009 -0.000011 0.000012 0.000055 -0.000033 0Rh 5dx2y2 0.000054 -0.000055 0.000100 -0.000100 0.000028 -0.000044 0Rh 5dxy 0.000020 -0.000025 0.000037 -0.000048 -0.000120 0.000047 0Rh 1f0 -0.000002 -0.000000 -0.000004 -0.000000 0.000004 -0.000027 0Rh 1f+1 0.000002 -0.000000 0.000003 -0.000000 -0.000000 -0.000002 0Rh 1f-1 0.000000 -0.000000 0.000001 -0.000001 0.000002 -0.000020 0Rh 1f+2 0.000003 -0.000000 0.000005 -0.000001 0.000002 -0.000023 0Rh 1f-2 0.000001 -0.000000 0.000002 -0.000000 0.000002 -0.000029 0Rh 1f+3 0.000003 -0.000000 0.000006 -0.000000 -0.000003 0.000021 0Rh 1f-3 0.000002 0.000000 0.000004 0.000000 -0.000000 -0.000011 1Rh 1s 0.996251 -0.017595 0.333049 -0.002902 0.000006 0.000000 1Rh 2s 0.006073 -0.000120 -1.060416 0.009212 -0.000015 0.000003 1Rh 3s -0.006525 0.000096 -0.067672 0.000561 0.000001 0.000004 1Rh 4s 0.007719 -0.000091 0.037282 -0.000251 -0.000005 -0.000010 1Rh 5s -0.002809 -0.000008 -0.007544 -0.000039 0.000009 0.000014 1Rh 6s 0.001359 0.000045 0.003014 0.000107 -0.000016 -0.000014 1Rh 7s -0.001183 -0.000203 -0.002329 -0.000442 0.000056 -0.000080 1Rh 8s -0.000128 -0.000169 -0.000255 -0.000333 -0.000054 0.000023 1Rh 1pz -0.000000 0.000000 0.000077 -0.000000 -0.237000 0.003074 1Rh 1px 0.000000 -0.000001 -0.000222 0.000001 -0.290794 0.003658 1Rh 1py 0.000000 -0.000000 -0.000067 0.000000 0.915510 -0.011778 1Rh 2pz -0.000001 -0.000001 0.000004 -0.000002 -0.006540 0.000084 1Rh 2px 0.000001 0.000004 -0.000011 0.000007 -0.008025 0.000099 1Rh 2py 0.000000 0.000001 -0.000004 0.000001 0.025260 -0.000321 1Rh 3pz 0.000003 0.000005 0.000002 0.000011 0.002874 -0.000032 1Rh 3px -0.000008 -0.000019 -0.000004 -0.000037 0.003533 -0.000034 1Rh 3py -0.000001 -0.000003 0.000001 -0.000007 -0.011104 0.000118 1Rh 4pz -0.000006 -0.000011 -0.000007 -0.000023 -0.002047 0.000010 1Rh 4px 0.000016 0.000040 0.000015 0.000081 -0.002532 0.000007 1Rh 4py 0.000002 0.000007 0.000000 0.000015 0.007926 -0.000032 1Rh 5pz 0.000004 0.000008 0.000003 0.000018 0.000935 0.000022 1Rh 5px -0.000006 -0.000033 0.000003 -0.000070 0.001190 0.000019 1Rh 5py 0.000001 -0.000006 0.000006 -0.000013 -0.003658 -0.000082 1Rh 6pz 0.000086 0.000134 0.000176 0.000265 -0.000289 -0.000178 1Rh 6px -0.000285 -0.000380 -0.000581 -0.000753 -0.000673 -0.000289 1Rh 6py -0.000110 -0.000051 -0.000219 -0.000103 0.001507 0.000795 1Rh 1dz2 -0.000000 0.000000 0.000017 0.000000 0.000002 0.000000 1Rh 1dxz -0.000000 0.000000 0.000001 0.000000 -0.000003 -0.000001 1Rh 1dyz -0.000000 0.000000 0.000014 -0.000000 -0.000006 -0.000002 1Rh 1dx2y2 0.000000 -0.000000 0.000014 -0.000000 -0.000009 -0.000002 1Rh 1dxy 0.000000 -0.000000 0.000012 -0.000000 0.000014 0.000004 1Rh 2dz2 0.000001 -0.000001 -0.000009 -0.000001 -0.000002 -0.000002 1Rh 2dxz 0.000001 -0.000001 -0.000001 -0.000001 0.000004 0.000005 1Rh 2dyz 0.000000 -0.000000 -0.000008 -0.000000 0.000006 0.000008 1Rh 2dx2y2 -0.000001 0.000001 -0.000006 0.000001 0.000008 0.000007 1Rh 2dxy -0.000001 0.000000 -0.000007 0.000001 -0.000016 -0.000019 1Rh 3dz2 -0.000002 0.000002 0.000002 0.000002 0.000002 0.000004 1Rh 3dxz -0.000002 0.000002 -0.000002 0.000003 -0.000007 -0.000012 1Rh 3dyz -0.000001 0.000000 0.000003 0.000001 -0.000008 -0.000019 1Rh 3dx2y2 0.000004 -0.000003 0.000009 -0.000004 -0.000011 -0.000018 1Rh 3dxy 0.000003 -0.000001 0.000008 -0.000002 0.000024 0.000046 1Rh 4dz2 0.000006 -0.000005 0.000007 -0.000009 -0.000001 -0.000007 1Rh 4dxz 0.000007 -0.000008 0.000010 -0.000012 0.000010 0.000024 1Rh 4dyz 0.000002 -0.000001 0.000001 -0.000002 0.000006 0.000036 1Rh 4dx2y2 -0.000011 0.000011 -0.000020 0.000017 0.000008 0.000030 1Rh 4dxy -0.000007 0.000004 -0.000014 0.000007 -0.000026 -0.000087 1Rh 5dz2 -0.000028 0.000027 -0.000049 0.000050 -0.000015 0.000001 1Rh 5dxz -0.000033 0.000038 -0.000061 0.000069 -0.000006 -0.000042 1Rh 5dyz -0.000008 0.000006 -0.000012 0.000012 0.000030 -0.000056 1Rh 5dx2y2 0.000053 -0.000055 0.000098 -0.000102 0.000043 -0.000029 1Rh 5dxy 0.000025 -0.000020 0.000047 -0.000037 -0.000044 0.000121 1Rh 1f0 -0.000000 -0.000002 -0.000000 -0.000004 -0.000027 0.000004 1Rh 1f+1 -0.000000 0.000002 -0.000000 0.000003 -0.000002 -0.000000 1Rh 1f-1 -0.000000 0.000000 -0.000001 0.000001 -0.000020 0.000003 1Rh 1f+2 -0.000000 0.000003 -0.000001 0.000005 -0.000023 0.000002 1Rh 1f-2 -0.000000 0.000001 -0.000000 0.000002 -0.000029 0.000003 1Rh 1f+3 -0.000000 0.000003 -0.000000 0.000006 0.000021 -0.000003 1Rh 1f-3 0.000000 0.000002 0.000000 0.000004 -0.000011 -0.000000 2C 1s -0.000000 0.000000 -0.000000 0.000001 -0.000000 0.000000 2C 2s -0.000000 -0.000001 0.000000 -0.000002 0.000001 -0.000000 2C 3s 0.000023 -0.000020 0.000047 -0.000042 0.000004 0.000004 2C 4s -0.000137 0.000136 -0.000286 0.000281 -0.000062 -0.000018 2C 5s 0.000123 -0.000057 0.000268 -0.000134 0.000237 0.000383 2C 1pz 0.000001 -0.000001 0.000002 -0.000002 -0.000001 -0.000005 2C 1px 0.000000 0.000001 0.000000 0.000002 -0.000002 -0.000001 2C 1py 0.000001 -0.000001 0.000002 -0.000002 0.000004 0.000007 2C 2pz -0.000058 0.000060 -0.000124 0.000124 -0.000072 0.000012 2C 2px -0.000010 0.000004 -0.000022 0.000011 -0.000019 -0.000001 2C 2py -0.000042 0.000042 -0.000088 0.000087 -0.000055 -0.000058 2C 3pz 0.000021 -0.000005 0.000047 -0.000015 0.000090 0.000068 2C 3px -0.000031 0.000003 -0.000058 0.000004 0.000055 0.000007 2C 3py 0.000013 -0.000013 0.000030 -0.000028 -0.000044 0.000024 2C 1dz2 -0.000003 0.000001 -0.000005 0.000002 -0.000004 -0.000006 2C 1dxz 0.000001 0.000002 0.000001 0.000003 -0.000004 -0.000001 2C 1dyz -0.000003 0.000004 -0.000006 0.000007 0.000001 0.000004 2C 1dx2y2 0.000001 0.000000 0.000002 0.000001 -0.000004 -0.000003 2C 1dxy 0.000000 0.000002 0.000000 0.000004 -0.000001 0.000001 2C 2dz2 -0.000010 0.000016 -0.000023 0.000032 0.000011 0.000021 2C 2dxz -0.000013 0.000009 -0.000026 0.000018 0.000021 0.000011 2C 2dyz -0.000020 0.000013 -0.000042 0.000029 -0.000056 -0.000038 2C 2dx2y2 0.000003 -0.000013 0.000007 -0.000025 0.000035 0.000013 2C 2dxy -0.000006 -0.000000 -0.000011 0.000000 -0.000012 -0.000001 2C 1f0 -0.000001 0.000002 -0.000001 0.000003 0.000009 0.000004 2C 1f+1 -0.000002 0.000001 -0.000004 0.000002 0.000000 0.000005 2C 1f-1 -0.000004 0.000005 -0.000009 0.000010 -0.000004 0.000001 2C 1f+2 0.000002 -0.000003 0.000005 -0.000006 0.000002 0.000003 2C 1f-2 -0.000003 0.000002 -0.000006 0.000004 0.000005 -0.000002 2C 1f+3 -0.000001 -0.000000 -0.000002 -0.000000 0.000003 -0.000004 2C 1f-3 -0.000000 0.000000 -0.000000 0.000001 -0.000004 -0.000003 3C 1s -0.000000 0.000000 -0.000000 0.000001 0.000003 0.000002 3C 2s 0.000000 -0.000001 0.000000 -0.000001 -0.000008 -0.000005 3C 3s 0.000021 -0.000021 0.000045 -0.000044 0.000026 -0.000005 3C 4s -0.000133 0.000141 -0.000281 0.000293 -0.000019 0.000121 3C 5s 0.000127 -0.000050 0.000277 -0.000122 -0.000420 -0.000879 3C 1pz 0.000001 -0.000002 0.000002 -0.000003 0.000005 0.000006 3C 1px 0.000000 0.000000 0.000001 0.000000 0.000000 -0.000002 3C 1py -0.000001 0.000001 -0.000002 0.000002 0.000001 0.000001 3C 2pz -0.000037 0.000044 -0.000080 0.000091 0.000003 0.000019 3C 2px -0.000021 0.000018 -0.000045 0.000041 0.000050 0.000041 3C 2py 0.000055 -0.000061 0.000120 -0.000129 -0.000083 -0.000128 3C 3pz 0.000031 -0.000012 0.000062 -0.000026 -0.000007 -0.000115 3C 3px -0.000016 -0.000011 -0.000028 -0.000023 -0.000177 0.000048 3C 3py -0.000016 -0.000002 -0.000036 0.000001 0.000068 0.000187 3C 1dz2 0.000000 -0.000001 0.000001 -0.000003 -0.000000 0.000004 3C 1dxz -0.000001 0.000001 -0.000001 0.000001 -0.000000 0.000001 3C 1dyz 0.000003 -0.000003 0.000006 -0.000005 0.000003 -0.000001 3C 1dx2y2 0.000002 -0.000001 0.000005 -0.000001 0.000007 -0.000005 3C 1dxy -0.000000 -0.000003 0.000000 -0.000006 -0.000006 0.000008 3C 2dz2 0.000004 -0.000001 0.000009 -0.000003 -0.000021 -0.000038 3C 2dxz -0.000005 0.000011 -0.000010 0.000022 0.000001 -0.000002 3C 2dyz 0.000012 -0.000012 0.000028 -0.000028 -0.000057 -0.000066 3C 2dx2y2 0.000013 -0.000021 0.000028 -0.000042 -0.000031 -0.000001 3C 2dxy 0.000017 -0.000007 0.000035 -0.000017 0.000008 -0.000046 3C 1f0 0.000003 -0.000003 0.000006 -0.000005 -0.000003 -0.000001 3C 1f+1 0.000000 0.000000 0.000000 0.000001 -0.000000 -0.000004 3C 1f-1 -0.000000 -0.000000 -0.000001 -0.000000 -0.000001 0.000001 3C 1f+2 0.000003 -0.000004 0.000006 -0.000009 -0.000002 -0.000001 3C 1f-2 0.000003 -0.000002 0.000007 -0.000005 0.000004 -0.000003 3C 1f+3 -0.000003 0.000002 -0.000006 0.000005 -0.000005 0.000003 3C 1f-3 0.000001 -0.000002 0.000002 -0.000004 -0.000002 0.000003 4C 1s -0.000000 0.000000 -0.000001 0.000001 -0.000001 -0.000001 4C 2s 0.000001 -0.000001 0.000002 -0.000003 0.000004 0.000003 4C 3s -0.000033 0.000032 -0.000072 0.000069 -0.000115 -0.000108 4C 4s 0.000129 -0.000112 0.000275 -0.000240 0.000499 0.000532 4C 5s -0.000059 0.000025 -0.000127 0.000058 0.000247 0.000198 4C 1pz 0.000006 -0.000004 0.000011 -0.000008 -0.000004 0.000000 4C 1px -0.000003 -0.000005 -0.000005 -0.000009 0.000008 -0.000009 4C 1py 0.000002 -0.000004 0.000005 -0.000007 -0.000009 -0.000012 4C 2pz -0.000084 0.000038 -0.000172 0.000081 0.000052 0.000000 4C 2px 0.000063 0.000101 0.000118 0.000198 -0.000145 0.000203 4C 2py -0.000026 0.000059 -0.000058 0.000120 0.000050 0.000148 4C 3pz -0.000016 0.000048 -0.000012 0.000075 0.000253 0.000274 4C 3px -0.000021 -0.000028 -0.000040 -0.000060 -0.000008 0.000040 4C 3py -0.000024 0.000023 -0.000035 0.000031 0.000413 0.000402 4C 1dz2 -0.000002 0.000000 -0.000004 0.000001 -0.000011 -0.000013 4C 1dxz 0.000001 0.000002 0.000002 0.000004 -0.000012 -0.000004 4C 1dyz -0.000001 0.000001 -0.000003 0.000003 -0.000006 0.000002 4C 1dx2y2 0.000001 -0.000001 0.000002 -0.000001 0.000004 0.000008 4C 1dxy 0.000001 0.000002 0.000002 0.000003 0.000006 -0.000000 4C 2dz2 0.000001 -0.000033 0.000006 -0.000068 0.000057 -0.000002 4C 2dxz 0.000021 0.000024 0.000043 0.000047 -0.000021 0.000002 4C 2dyz 0.000030 -0.000034 0.000067 -0.000072 0.000089 0.000005 4C 2dx2y2 0.000005 0.000004 0.000009 0.000008 0.000070 0.000057 4C 2dxy 0.000028 0.000009 0.000058 0.000017 -0.000036 0.000126 4C 1f0 -0.000004 0.000003 -0.000007 0.000005 -0.000012 -0.000001 4C 1f+1 -0.000005 0.000007 -0.000010 0.000015 -0.000008 -0.000016 4C 1f-1 -0.000008 0.000003 -0.000015 0.000006 0.000006 -0.000005 4C 1f+2 0.000005 -0.000009 0.000010 -0.000017 0.000014 -0.000007 4C 1f-2 0.000002 0.000005 0.000003 0.000010 -0.000010 0.000006 4C 1f+3 -0.000001 -0.000002 -0.000002 -0.000003 0.000008 -0.000003 4C 1f-3 -0.000008 0.000002 -0.000015 0.000003 -0.000003 -0.000021 5C 1s -0.000000 0.000000 -0.000001 0.000001 0.000004 0.000004 5C 2s 0.000001 -0.000001 0.000002 -0.000003 -0.000012 -0.000011 5C 3s -0.000031 0.000033 -0.000069 0.000071 0.000350 0.000348 5C 4s 0.000116 -0.000115 0.000255 -0.000249 -0.001570 -0.001534 5C 5s -0.000054 0.000040 -0.000115 0.000086 -0.000938 -0.000782 5C 1pz 0.000004 -0.000002 0.000007 -0.000004 0.000023 0.000001 5C 1px -0.000002 -0.000005 -0.000004 -0.000010 -0.000022 0.000036 5C 1py -0.000005 0.000004 -0.000011 0.000009 -0.000030 -0.000018 5C 2pz -0.000064 0.000015 -0.000129 0.000033 -0.000346 0.000049 5C 2px 0.000065 0.000106 0.000120 0.000210 0.000473 -0.000625 5C 2py 0.000077 -0.000054 0.000160 -0.000113 0.000398 0.000140 5C 3pz -0.000004 0.000040 0.000003 0.000069 -0.000616 -0.000658 5C 3px -0.000036 0.000005 -0.000068 0.000001 -0.000280 -0.000537 5C 3py 0.000008 -0.000052 -0.000001 -0.000085 0.001096 0.001205 5C 1dz2 -0.000001 -0.000001 -0.000001 -0.000002 0.000011 0.000015 5C 1dxz 0.000000 0.000002 0.000000 0.000004 0.000027 0.000021 5C 1dyz 0.000002 -0.000000 0.000005 -0.000001 -0.000008 -0.000013 5C 1dx2y2 0.000001 -0.000000 0.000003 -0.000000 -0.000032 -0.000036 5C 1dxy -0.000001 -0.000002 -0.000002 -0.000005 -0.000020 -0.000017 5C 2dz2 -0.000021 0.000003 -0.000043 0.000008 0.000084 0.000186 5C 2dxz 0.000017 0.000003 0.000034 0.000006 0.000145 0.000004 5C 2dyz -0.000018 0.000041 -0.000043 0.000088 0.000278 0.000151 5C 2dx2y2 0.000010 0.000027 0.000017 0.000056 -0.000006 -0.000183 5C 2dxy -0.000039 -0.000006 -0.000081 -0.000010 -0.000147 0.000206 5C 1f0 0.000003 0.000001 0.000005 0.000002 0.000049 -0.000007 5C 1f+1 -0.000006 0.000001 -0.000012 0.000002 -0.000002 0.000050 5C 1f-1 0.000003 0.000001 0.000005 0.000002 0.000010 -0.000012 5C 1f+2 0.000004 -0.000003 0.000008 -0.000006 -0.000009 0.000018 5C 1f-2 0.000001 -0.000010 0.000003 -0.000020 -0.000054 0.000014 5C 1f+3 -0.000008 0.000006 -0.000015 0.000012 -0.000001 0.000045 5C 1f-3 0.000007 -0.000004 0.000015 -0.000008 -0.000033 -0.000033 6C 1s -0.000000 0.000000 -0.000001 0.000001 -0.000004 -0.000004 6C 2s 0.000001 -0.000001 0.000003 -0.000003 0.000012 0.000012 6C 3s -0.000032 0.000033 -0.000070 0.000071 -0.000357 -0.000340 6C 4s 0.000111 -0.000121 0.000245 -0.000262 0.001574 0.001528 6C 5s -0.000038 0.000055 -0.000084 0.000116 0.000803 0.000918 6C 1pz -0.000002 0.000004 -0.000003 0.000007 0.000002 0.000023 6C 1px -0.000005 -0.000002 -0.000010 -0.000004 0.000036 -0.000023 6C 1py 0.000004 -0.000005 0.000008 -0.000011 -0.000019 -0.000030 6C 2pz 0.000012 -0.000064 0.000030 -0.000129 0.000040 -0.000347 6C 2px 0.000108 0.000060 0.000211 0.000115 -0.000612 0.000488 6C 2py -0.000051 0.000078 -0.000110 0.000161 0.000151 0.000394 6C 3pz 0.000040 -0.000005 0.000069 0.000004 -0.000676 -0.000598 6C 3px 0.000004 -0.000037 -0.000001 -0.000068 -0.000544 -0.000265 6C 3py -0.000052 0.000009 -0.000086 -0.000001 0.001236 0.001065 6C 1dz2 0.000001 0.000001 0.000002 0.000001 -0.000015 -0.000011 6C 1dxz -0.000002 -0.000000 -0.000004 0.000000 -0.000021 -0.000027 6C 1dyz 0.000000 -0.000002 0.000001 -0.000005 0.000013 0.000007 6C 1dx2y2 -0.000000 -0.000001 0.000000 -0.000003 0.000037 0.000032 6C 1dxy 0.000002 0.000001 0.000005 0.000001 0.000017 0.000020 6C 2dz2 -0.000002 0.000021 -0.000007 0.000043 -0.000188 -0.000079 6C 2dxz -0.000004 -0.000016 -0.000006 -0.000034 -0.000008 -0.000145 6C 2dyz -0.000041 0.000020 -0.000087 0.000045 -0.000158 -0.000274 6C 2dx2y2 -0.000027 -0.000010 -0.000057 -0.000016 0.000184 0.000001 6C 2dxy 0.000008 0.000039 0.000011 0.000081 -0.000202 0.000152 6C 1f0 0.000001 0.000003 0.000002 0.000005 -0.000006 0.000049 6C 1f+1 0.000001 -0.000006 0.000002 -0.000012 0.000050 -0.000003 6C 1f-1 0.000001 0.000003 0.000002 0.000005 -0.000011 0.000010 6C 1f+2 -0.000003 0.000004 -0.000006 0.000008 0.000018 -0.000009 6C 1f-2 -0.000010 0.000002 -0.000020 0.000004 0.000013 -0.000054 6C 1f+3 0.000006 -0.000008 0.000012 -0.000015 0.000045 -0.000002 6C 1f-3 -0.000004 0.000007 -0.000008 0.000015 -0.000034 -0.000032 7C 1s -0.000000 0.000000 -0.000001 0.000001 0.000001 0.000001 7C 2s 0.000001 -0.000001 0.000003 -0.000002 -0.000003 -0.000004 7C 3s -0.000031 0.000035 -0.000069 0.000073 0.000110 0.000111 7C 4s 0.000109 -0.000134 0.000238 -0.000280 -0.000542 -0.000481 7C 5s -0.000023 0.000061 -0.000054 0.000128 -0.000207 -0.000246 7C 1pz -0.000004 0.000006 -0.000008 0.000011 0.000000 -0.000004 7C 1px -0.000005 -0.000002 -0.000009 -0.000005 -0.000009 0.000009 7C 1py -0.000004 0.000002 -0.000007 0.000005 -0.000013 -0.000008 7C 2pz 0.000035 -0.000085 0.000078 -0.000173 0.000003 0.000054 7C 2px 0.000102 0.000059 0.000199 0.000114 0.000202 -0.000150 7C 2py 0.000058 -0.000029 0.000118 -0.000060 0.000151 0.000047 7C 3pz 0.000047 -0.000017 0.000074 -0.000013 0.000280 0.000248 7C 3px -0.000029 -0.000021 -0.000061 -0.000040 0.000042 -0.000010 7C 3py 0.000021 -0.000025 0.000030 -0.000035 0.000413 0.000404 7C 1dz2 -0.000000 0.000002 -0.000001 0.000004 0.000013 0.000011 7C 1dxz -0.000002 -0.000001 -0.000004 -0.000002 0.000004 0.000012 7C 1dyz -0.000001 0.000001 -0.000003 0.000003 -0.000002 0.000006 7C 1dx2y2 0.000001 -0.000001 0.000002 -0.000002 -0.000008 -0.000004 7C 1dxy -0.000002 -0.000001 -0.000003 -0.000002 -0.000000 -0.000006 7C 2dz2 0.000033 -0.000002 0.000068 -0.000007 0.000001 -0.000057 7C 2dxz -0.000025 -0.000020 -0.000047 -0.000041 -0.000001 0.000022 7C 2dyz 0.000033 -0.000032 0.000071 -0.000068 -0.000007 -0.000089 7C 2dx2y2 -0.000004 -0.000005 -0.000008 -0.000009 -0.000059 -0.000069 7C 2dxy -0.000010 -0.000028 -0.000018 -0.000058 -0.000125 0.000040 7C 1f0 0.000003 -0.000004 0.000005 -0.000007 -0.000002 -0.000012 7C 1f+1 0.000007 -0.000005 0.000014 -0.000010 -0.000016 -0.000008 7C 1f-1 0.000003 -0.000008 0.000006 -0.000015 -0.000005 0.000006 7C 1f+2 -0.000009 0.000005 -0.000017 0.000010 -0.000006 0.000014 7C 1f-2 0.000005 0.000001 0.000011 0.000003 0.000005 -0.000010 7C 1f+3 -0.000002 -0.000001 -0.000003 -0.000002 -0.000003 0.000008 7C 1f-3 0.000001 -0.000008 0.000003 -0.000015 -0.000021 -0.000002 8C 1s -0.000000 0.000000 -0.000001 0.000000 -0.000002 -0.000003 8C 2s 0.000001 -0.000000 0.000001 -0.000000 0.000005 0.000008 8C 3s 0.000020 -0.000022 0.000043 -0.000046 0.000004 -0.000027 8C 4s -0.000136 0.000138 -0.000288 0.000286 -0.000121 0.000025 8C 5s 0.000045 -0.000131 0.000116 -0.000282 0.000897 0.000395 8C 1pz -0.000001 0.000001 -0.000003 0.000002 0.000006 0.000005 8C 1px 0.000000 0.000000 0.000000 0.000001 -0.000002 0.000000 8C 1py 0.000001 -0.000001 0.000002 -0.000002 0.000001 0.000001 8C 2pz 0.000043 -0.000039 0.000089 -0.000081 0.000019 0.000003 8C 2px 0.000017 -0.000021 0.000040 -0.000045 0.000043 0.000049 8C 2py -0.000059 0.000057 -0.000127 0.000122 -0.000129 -0.000079 8C 3pz -0.000011 0.000031 -0.000025 0.000063 -0.000116 -0.000004 8C 3px -0.000011 -0.000016 -0.000022 -0.000028 0.000042 -0.000179 8C 3py -0.000003 -0.000016 0.000001 -0.000037 0.000190 0.000062 8C 1dz2 0.000001 -0.000001 0.000003 -0.000001 -0.000004 0.000001 8C 1dxz -0.000001 0.000001 -0.000001 0.000001 -0.000001 0.000000 8C 1dyz 0.000003 -0.000003 0.000005 -0.000006 0.000001 -0.000003 8C 1dx2y2 0.000000 -0.000002 0.000001 -0.000005 0.000004 -0.000007 8C 1dxy 0.000003 -0.000000 0.000006 -0.000000 -0.000008 0.000007 8C 2dz2 0.000001 -0.000004 0.000003 -0.000009 0.000039 0.000020 8C 2dxz -0.000010 0.000005 -0.000021 0.000011 0.000002 -0.000000 8C 2dyz 0.000012 -0.000013 0.000027 -0.000029 0.000068 0.000055 8C 2dx2y2 0.000020 -0.000013 0.000042 -0.000028 0.000001 0.000031 8C 2dxy 0.000007 -0.000018 0.000016 -0.000036 0.000045 -0.000009 8C 1f0 -0.000002 0.000003 -0.000005 0.000006 -0.000001 -0.000003 8C 1f+1 0.000000 0.000000 0.000001 0.000000 -0.000004 -0.000000 8C 1f-1 -0.000000 -0.000000 -0.000000 -0.000001 0.000001 -0.000001 8C 1f+2 -0.000004 0.000003 -0.000009 0.000006 -0.000001 -0.000001 8C 1f-2 -0.000002 0.000003 -0.000005 0.000007 -0.000003 0.000005 8C 1f+3 0.000002 -0.000003 0.000004 -0.000006 0.000003 -0.000005 8C 1f-3 -0.000002 0.000001 -0.000004 0.000002 0.000003 -0.000002 9C 1s -0.000000 0.000000 -0.000001 0.000000 0.000000 0.000000 9C 2s 0.000001 -0.000000 0.000002 -0.000000 0.000000 -0.000001 9C 3s 0.000019 -0.000023 0.000041 -0.000048 -0.000003 -0.000002 9C 4s -0.000132 0.000142 -0.000276 0.000291 0.000017 0.000057 9C 5s 0.000052 -0.000126 0.000129 -0.000272 -0.000383 -0.000220 9C 1pz -0.000001 0.000001 -0.000002 0.000002 -0.000005 -0.000001 9C 1px 0.000001 -0.000000 0.000002 0.000000 -0.000001 -0.000002 9C 1py -0.000001 0.000001 -0.000002 0.000002 0.000007 0.000004 9C 2pz 0.000058 -0.000060 0.000122 -0.000126 0.000013 -0.000069 9C 2px 0.000004 -0.000010 0.000011 -0.000022 0.000000 -0.000019 9C 2py 0.000040 -0.000043 0.000085 -0.000090 -0.000059 -0.000053 9C 3pz -0.000005 0.000022 -0.000015 0.000048 0.000070 0.000087 9C 3px 0.000002 -0.000032 0.000004 -0.000058 0.000006 0.000057 9C 3py -0.000012 0.000013 -0.000027 0.000029 0.000023 -0.000044 9C 1dz2 -0.000001 0.000003 -0.000002 0.000005 0.000006 0.000004 9C 1dxz -0.000002 -0.000000 -0.000003 -0.000001 0.000001 0.000004 9C 1dyz -0.000003 0.000003 -0.000007 0.000006 -0.000004 -0.000001 9C 1dx2y2 -0.000000 -0.000001 -0.000001 -0.000002 0.000003 0.000004 9C 1dxy -0.000002 -0.000000 -0.000004 -0.000000 -0.000001 0.000002 9C 2dz2 -0.000015 0.000011 -0.000031 0.000023 -0.000022 -0.000011 9C 2dxz -0.000008 0.000013 -0.000017 0.000025 -0.000011 -0.000022 9C 2dyz -0.000012 0.000020 -0.000028 0.000043 0.000038 0.000053 9C 2dx2y2 0.000013 -0.000004 0.000025 -0.000008 -0.000014 -0.000035 9C 2dxy 0.000001 0.000006 -0.000000 0.000012 0.000002 0.000011 9C 1f0 0.000002 -0.000001 0.000003 -0.000001 0.000004 0.000009 9C 1f+1 0.000001 -0.000002 0.000002 -0.000004 0.000005 0.000000 9C 1f-1 0.000005 -0.000005 0.000010 -0.000009 0.000001 -0.000004 9C 1f+2 -0.000003 0.000003 -0.000006 0.000005 0.000003 0.000002 9C 1f-2 0.000002 -0.000003 0.000003 -0.000006 -0.000002 0.000005 9C 1f+3 -0.000000 -0.000001 -0.000000 -0.000002 -0.000004 0.000003 9C 1f-3 0.000000 -0.000000 0.000001 -0.000000 -0.000003 -0.000004 10H 1s -0.000001 -0.000000 -0.000002 -0.000001 0.000000 -0.000000 10H 2s 0.000002 0.000012 0.000003 0.000023 -0.000004 0.000012 10H 3s -0.000001 -0.000004 -0.000005 -0.000006 -0.000016 -0.000046 10H 1pz 0.000002 -0.000001 0.000005 -0.000002 -0.000002 0.000000 10H 1px 0.000000 -0.000000 0.000001 -0.000000 0.000002 0.000000 10H 1py 0.000001 -0.000000 0.000002 -0.000001 0.000001 -0.000001 11H 1s 0.000003 -0.000001 0.000006 -0.000002 -0.000004 0.000002 11H 2s -0.000006 -0.000009 -0.000012 -0.000017 -0.000043 -0.000010 11H 3s -0.000034 0.000024 -0.000068 0.000046 0.000048 -0.000057 11H 1pz 0.000000 -0.000002 0.000000 -0.000005 -0.000002 0.000003 11H 1px 0.000001 -0.000003 0.000003 -0.000006 -0.000008 -0.000002 11H 1py -0.000001 0.000001 -0.000002 0.000001 0.000009 0.000000 12H 1s 0.000002 -0.000000 0.000005 -0.000000 0.000000 -0.000001 12H 2s -0.000012 -0.000007 -0.000025 -0.000013 0.000013 -0.000031 12H 3s -0.000024 0.000012 -0.000048 0.000024 -0.000047 -0.000003 12H 1pz -0.000001 -0.000001 -0.000001 -0.000002 -0.000002 0.000000 12H 1px 0.000001 -0.000003 0.000001 -0.000005 0.000000 -0.000004 12H 1py -0.000000 -0.000002 -0.000000 -0.000004 -0.000000 -0.000008 13H 1s -0.000001 -0.000001 -0.000001 -0.000002 0.000002 0.000006 13H 2s 0.000001 0.000013 0.000003 0.000024 -0.000034 -0.000065 13H 3s -0.000002 -0.000000 -0.000007 0.000001 0.000068 0.000025 13H 1pz 0.000001 -0.000000 0.000002 -0.000000 -0.000006 -0.000008 13H 1px 0.000000 -0.000000 0.000001 -0.000000 0.000001 -0.000002 13H 1py -0.000003 0.000000 -0.000005 0.000001 0.000002 0.000007 14H 1s 0.000002 0.000000 0.000004 0.000000 0.000014 0.000001 14H 2s -0.000014 -0.000005 -0.000028 -0.000010 -0.000043 -0.000012 14H 3s -0.000019 0.000008 -0.000039 0.000017 -0.000050 0.000092 14H 1pz -0.000001 -0.000000 -0.000001 -0.000001 -0.000006 -0.000009 14H 1px 0.000000 -0.000003 0.000001 -0.000005 0.000002 0.000000 14H 1py 0.000000 0.000002 0.000000 0.000004 0.000008 0.000000 15H 1s 0.000003 -0.000002 0.000006 -0.000003 0.000015 0.000009 15H 2s -0.000003 -0.000008 -0.000007 -0.000014 -0.000004 0.000029 15H 3s -0.000036 0.000025 -0.000072 0.000050 -0.000045 0.000026 15H 1pz -0.000002 0.000002 -0.000003 0.000003 -0.000008 -0.000008 15H 1px 0.000001 -0.000002 0.000001 -0.000003 0.000002 0.000003 15H 1py -0.000001 0.000003 -0.000002 0.000006 0.000001 -0.000002 16H 1s -0.000002 -0.000005 -0.000003 -0.000009 0.000003 0.000002 16H 2s 0.000003 0.000060 0.000003 0.000116 -0.000043 -0.000073 16H 3s 0.000001 -0.000014 0.000003 -0.000027 0.000006 0.000003 16H 1pz 0.000001 0.000012 0.000002 0.000024 -0.000010 -0.000016 16H 1px -0.000002 -0.000005 -0.000003 -0.000009 -0.000002 -0.000010 16H 1py 0.000000 0.000001 0.000001 0.000001 0.000001 0.000006 17H 1s -0.000002 -0.000005 -0.000003 -0.000009 0.000004 0.000004 17H 2s 0.000003 0.000057 0.000003 0.000111 -0.000072 -0.000085 17H 3s 0.000001 -0.000015 0.000002 -0.000029 0.000030 0.000014 17H 1pz -0.000000 -0.000006 -0.000000 -0.000012 0.000013 0.000017 17H 1px -0.000002 -0.000011 -0.000004 -0.000022 0.000002 -0.000020 17H 1py 0.000001 0.000002 0.000001 0.000004 -0.000004 0.000006 18H 1s 0.000005 0.000002 0.000009 0.000003 -0.000004 -0.000004 18H 2s -0.000057 -0.000001 -0.000111 -0.000002 0.000084 0.000068 18H 3s 0.000015 -0.000001 0.000029 -0.000003 -0.000015 -0.000029 18H 1pz -0.000006 0.000000 -0.000012 0.000000 0.000017 0.000013 18H 1px -0.000011 -0.000002 -0.000022 -0.000003 -0.000020 0.000003 18H 1py 0.000002 0.000001 0.000003 0.000001 0.000007 -0.000003 19H 1s 0.000005 0.000002 0.000009 0.000003 -0.000002 -0.000003 19H 2s -0.000060 -0.000000 -0.000116 -0.000001 0.000072 0.000040 19H 3s 0.000014 -0.000002 0.000027 -0.000003 -0.000004 -0.000007 19H 1pz 0.000012 0.000001 0.000024 0.000002 -0.000015 -0.000009 19H 1px -0.000005 -0.000001 -0.000010 -0.000003 -0.000011 -0.000002 19H 1py 0.000001 0.000000 0.000002 0.000001 0.000005 0.000000 20H 1s 0.000002 -0.000003 0.000003 -0.000006 -0.000010 -0.000015 20H 2s 0.000008 0.000003 0.000015 0.000007 -0.000029 0.000005 20H 3s -0.000024 0.000037 -0.000048 0.000073 -0.000026 0.000047 20H 1pz 0.000002 -0.000002 0.000003 -0.000003 -0.000008 -0.000008 20H 1px -0.000002 0.000001 -0.000003 0.000001 0.000004 0.000002 20H 1py 0.000003 -0.000001 0.000005 -0.000002 -0.000002 0.000001 21H 1s -0.000000 -0.000002 -0.000001 -0.000004 -0.000002 -0.000014 21H 2s 0.000005 0.000014 0.000010 0.000027 0.000012 0.000042 21H 3s -0.000007 0.000020 -0.000016 0.000041 -0.000091 0.000053 21H 1pz -0.000000 -0.000001 -0.000001 -0.000001 -0.000009 -0.000006 21H 1px -0.000003 0.000000 -0.000005 0.000001 0.000001 0.000003 21H 1py 0.000002 0.000000 0.000004 0.000000 0.000001 0.000008 22H 1s 0.000001 0.000001 0.000002 0.000001 -0.000006 -0.000002 22H 2s -0.000013 -0.000001 -0.000024 -0.000002 0.000066 0.000033 22H 3s 0.000001 0.000002 -0.000001 0.000007 -0.000028 -0.000067 22H 1pz -0.000000 0.000001 -0.000000 0.000002 -0.000008 -0.000005 22H 1px -0.000000 0.000000 -0.000000 0.000001 -0.000002 0.000001 22H 1py 0.000000 -0.000003 0.000001 -0.000005 0.000008 0.000001 23H 1s 0.000000 -0.000002 0.000000 -0.000005 0.000001 0.000000 23H 2s 0.000007 0.000012 0.000014 0.000024 0.000030 -0.000015 23H 3s -0.000011 0.000025 -0.000024 0.000050 0.000004 0.000045 23H 1pz -0.000001 -0.000001 -0.000002 -0.000001 0.000000 -0.000002 23H 1px -0.000003 0.000001 -0.000005 0.000001 -0.000004 0.000000 23H 1py -0.000002 -0.000000 -0.000005 -0.000000 -0.000008 -0.000000 24H 1s 0.000001 -0.000003 0.000002 -0.000006 -0.000001 0.000004 24H 2s 0.000009 0.000006 0.000017 0.000012 0.000009 0.000041 24H 3s -0.000022 0.000035 -0.000044 0.000069 0.000056 -0.000052 24H 1pz -0.000002 0.000000 -0.000005 0.000000 0.000003 -0.000002 24H 1px -0.000003 0.000002 -0.000006 0.000003 -0.000002 -0.000008 24H 1py 0.000000 -0.000001 0.000001 -0.000002 0.000000 0.000009 25H 1s 0.000000 0.000001 0.000001 0.000002 0.000001 -0.000000 25H 2s -0.000012 -0.000001 -0.000022 -0.000003 -0.000013 0.000003 25H 3s 0.000004 0.000001 0.000006 0.000004 0.000044 0.000015 25H 1pz -0.000001 0.000002 -0.000002 0.000005 0.000000 -0.000002 25H 1px -0.000000 0.000000 -0.000000 0.000001 0.000000 0.000002 25H 1py -0.000000 0.000001 -0.000001 0.000002 -0.000001 0.000001 26O 1s 0.000001 -0.000000 0.000001 -0.000001 0.000000 0.000002 26O 2s -0.000003 0.000001 -0.000005 0.000002 -0.000001 -0.000007 26O 3s 0.000022 -0.000010 0.000043 -0.000020 0.000011 0.000051 26O 4s -0.000073 0.000078 -0.000142 0.000148 -0.000017 -0.000096 26O 5s -0.000004 -0.000343 -0.000013 -0.000655 -0.000125 -0.000448 26O 1pz 0.000002 0.000003 0.000004 0.000004 0.000003 0.000022 26O 1px -0.000002 -0.000003 -0.000005 -0.000005 0.000002 0.000004 26O 1py 0.000000 0.000001 0.000000 0.000001 -0.000005 -0.000017 26O 2pz -0.000004 0.000000 -0.000009 0.000001 -0.000022 -0.000033 26O 2px 0.000030 0.000020 0.000059 0.000037 -0.000002 0.000067 26O 2py 0.000008 0.000007 0.000016 0.000014 0.000026 0.000111 26O 3pz 0.000012 -0.000162 0.000021 -0.000309 0.000066 0.000088 26O 3px 0.000042 0.000007 0.000083 0.000015 0.000128 0.000399 26O 3py 0.000023 -0.000092 0.000043 -0.000174 -0.000055 -0.000211 26O 1dz2 0.000001 0.000002 0.000002 0.000004 -0.000006 0.000017 26O 1dxz -0.000002 0.000001 -0.000003 0.000002 -0.000002 0.000008 26O 1dyz 0.000000 0.000005 0.000001 0.000009 0.000001 0.000017 26O 1dx2y2 0.000000 0.000000 0.000000 0.000000 -0.000003 0.000010 26O 1dxy -0.000001 0.000002 -0.000002 0.000004 0.000002 0.000002 26O 2dz2 0.000002 -0.000009 0.000005 -0.000015 0.000019 -0.000027 26O 2dxz 0.000004 -0.000005 0.000008 -0.000010 0.000011 -0.000030 26O 2dyz -0.000001 -0.000021 -0.000003 -0.000037 -0.000002 -0.000058 26O 2dx2y2 -0.000007 0.000000 -0.000014 -0.000000 0.000004 -0.000049 26O 2dxy -0.000003 -0.000009 -0.000006 -0.000017 -0.000012 -0.000024 26O 1f0 -0.000000 0.000000 -0.000000 0.000000 0.000004 -0.000018 26O 1f+1 -0.000000 -0.000002 -0.000001 -0.000003 -0.000002 -0.000010 26O 1f-1 -0.000000 -0.000002 -0.000001 -0.000003 -0.000000 -0.000016 26O 1f+2 -0.000000 0.000001 -0.000000 0.000002 0.000000 0.000002 26O 1f-2 0.000001 -0.000002 0.000001 -0.000003 -0.000001 -0.000008 26O 1f+3 -0.000001 -0.000001 -0.000001 -0.000001 -0.000001 -0.000008 26O 1f-3 -0.000001 -0.000001 -0.000002 -0.000001 -0.000001 0.000000 27O 1s 0.000001 -0.000000 0.000001 -0.000000 -0.000001 -0.000006 27O 2s -0.000003 0.000001 -0.000005 0.000002 0.000002 0.000021 27O 3s 0.000023 -0.000008 0.000045 -0.000016 -0.000019 -0.000138 27O 4s -0.000077 0.000072 -0.000150 0.000137 0.000021 0.000209 27O 5s -0.000013 -0.000321 -0.000032 -0.000615 0.000345 0.001396 27O 1pz 0.000001 0.000002 0.000003 0.000004 0.000000 -0.000029 27O 1px -0.000003 -0.000002 -0.000005 -0.000004 -0.000001 0.000008 27O 1py -0.000001 -0.000003 -0.000003 -0.000004 -0.000003 0.000024 27O 2pz -0.000006 -0.000003 -0.000013 -0.000006 0.000012 0.000044 27O 2px 0.000034 0.000017 0.000068 0.000032 -0.000010 -0.000308 27O 2py -0.000000 -0.000001 0.000000 -0.000002 0.000005 0.000078 27O 3pz -0.000002 -0.000089 -0.000007 -0.000172 -0.000028 0.000219 27O 3px 0.000044 -0.000007 0.000086 -0.000012 -0.000292 -0.000681 27O 3py -0.000014 0.000139 -0.000024 0.000267 0.000060 -0.000319 27O 1dz2 0.000000 -0.000002 0.000001 -0.000004 0.000004 0.000017 27O 1dxz -0.000001 0.000001 -0.000002 0.000001 0.000001 -0.000010 27O 1dyz -0.000001 -0.000005 -0.000002 -0.000008 -0.000005 0.000066 27O 1dx2y2 -0.000001 -0.000001 -0.000001 -0.000002 -0.000007 0.000021 27O 1dxy 0.000001 -0.000003 0.000003 -0.000005 0.000003 0.000024 27O 2dz2 0.000004 0.000008 0.000008 0.000014 -0.000018 -0.000105 27O 2dxz 0.000005 -0.000005 0.000009 -0.000008 -0.000016 0.000021 27O 2dyz 0.000002 0.000019 0.000005 0.000033 0.000015 -0.000198 27O 2dx2y2 -0.000007 0.000005 -0.000014 0.000009 0.000034 0.000018 27O 2dxy -0.000001 0.000012 -0.000002 0.000022 -0.000002 -0.000107 27O 1f0 0.000000 0.000001 0.000001 0.000002 -0.000004 -0.000031 27O 1f+1 -0.000001 -0.000000 -0.000002 -0.000001 0.000001 0.000010 27O 1f-1 0.000000 -0.000000 0.000001 -0.000000 0.000003 -0.000014 27O 1f+2 -0.000000 0.000001 -0.000000 0.000001 0.000005 -0.000033 27O 1f-2 -0.000000 0.000002 -0.000001 0.000003 -0.000003 -0.000031 27O 1f+3 -0.000001 -0.000002 -0.000001 -0.000004 0.000008 0.000038 27O 1f-3 0.000001 0.000000 0.000001 0.000000 0.000005 -0.000013 28O 1s 0.000000 -0.000001 0.000000 -0.000001 0.000002 0.000000 28O 2s -0.000001 0.000003 -0.000002 0.000005 -0.000006 -0.000000 28O 3s 0.000009 -0.000023 0.000018 -0.000044 0.000038 0.000003 28O 4s -0.000075 0.000077 -0.000145 0.000147 -0.000049 -0.000005 28O 5s 0.000298 0.000002 0.000569 0.000022 -0.000375 -0.000119 28O 1pz -0.000001 -0.000000 -0.000002 -0.000000 0.000019 0.000002 28O 1px -0.000003 -0.000003 -0.000005 -0.000006 0.000015 0.000001 28O 1py -0.000002 -0.000001 -0.000003 -0.000003 -0.000015 -0.000005 28O 2pz -0.000006 -0.000015 -0.000011 -0.000028 0.000009 -0.000011 28O 2px 0.000011 0.000030 0.000020 0.000061 -0.000098 -0.000013 28O 2py 0.000001 0.000003 0.000001 0.000006 0.000078 0.000026 28O 3pz 0.000125 -0.000034 0.000238 -0.000059 0.000182 0.000129 28O 3px 0.000060 0.000029 0.000116 0.000059 -0.000088 -0.000031 28O 3py 0.000105 -0.000012 0.000202 -0.000018 -0.000350 -0.000059 28O 1dz2 -0.000002 0.000001 -0.000004 0.000002 0.000019 -0.000005 28O 1dxz -0.000000 -0.000001 0.000000 -0.000003 0.000005 -0.000004 28O 1dyz -0.000005 0.000000 -0.000009 -0.000000 0.000012 0.000002 28O 1dx2y2 0.000000 -0.000000 -0.000000 -0.000001 0.000003 -0.000001 28O 1dxy -0.000002 -0.000001 -0.000003 -0.000002 0.000013 -0.000003 28O 2dz2 0.000010 -0.000003 0.000018 -0.000005 -0.000057 0.000020 28O 2dxz 0.000001 -0.000005 0.000001 -0.000010 0.000015 0.000013 28O 2dyz 0.000021 0.000000 0.000037 0.000001 -0.000040 -0.000005 28O 2dx2y2 -0.000002 0.000007 -0.000003 0.000015 -0.000021 -0.000002 28O 2dxy 0.000005 0.000003 0.000009 0.000006 -0.000041 0.000011 28O 1f0 0.000001 0.000000 0.000002 0.000001 -0.000012 0.000000 28O 1f+1 0.000000 0.000001 0.000000 0.000001 -0.000013 0.000003 28O 1f-1 0.000002 -0.000000 0.000004 -0.000001 -0.000019 0.000000 28O 1f+2 -0.000002 -0.000001 -0.000003 -0.000002 0.000002 0.000003 28O 1f-2 -0.000000 0.000001 -0.000000 0.000001 -0.000004 0.000002 28O 1f+3 -0.000000 -0.000000 -0.000001 -0.000001 0.000003 0.000000 28O 1f-3 0.000000 -0.000000 0.000001 -0.000001 0.000007 -0.000000 29O 1s 0.000001 -0.000001 0.000002 -0.000001 0.000000 0.000001 29O 2s -0.000004 0.000002 -0.000006 0.000003 -0.000000 -0.000004 29O 3s 0.000022 -0.000009 0.000042 -0.000015 -0.000001 0.000023 29O 4s -0.000062 0.000043 -0.000121 0.000076 -0.000008 -0.000087 29O 5s 0.000115 -0.000139 0.000227 -0.000260 0.000104 0.000263 29O 1pz 0.000001 -0.000000 0.000003 -0.000001 0.000001 0.000005 29O 1px -0.000004 0.000000 -0.000007 -0.000000 -0.000002 -0.000003 29O 1py -0.000000 -0.000002 -0.000000 -0.000004 -0.000003 -0.000007 29O 2pz -0.000004 0.000008 -0.000008 0.000015 -0.000007 -0.000028 29O 2px 0.000012 -0.000017 0.000024 -0.000031 0.000014 0.000007 29O 2py 0.000002 0.000015 0.000004 0.000028 0.000005 0.000028 29O 3pz 0.000014 -0.000013 0.000029 -0.000023 0.000027 0.000059 29O 3px -0.000043 0.000052 -0.000086 0.000097 0.000001 0.000009 29O 3py -0.000006 0.000038 -0.000013 0.000075 -0.000105 -0.000224 29O 1dz2 -0.000001 -0.000001 -0.000001 -0.000002 -0.000000 -0.000001 29O 1dxz -0.000001 -0.000002 -0.000002 -0.000004 0.000000 -0.000001 29O 1dyz -0.000000 -0.000000 -0.000000 -0.000001 0.000002 0.000002 29O 1dx2y2 0.000001 0.000004 0.000002 0.000008 0.000000 0.000003 29O 1dxy 0.000001 0.000001 0.000001 0.000002 -0.000001 -0.000002 29O 2dz2 0.000002 -0.000002 0.000003 -0.000003 0.000002 0.000003 29O 2dxz 0.000002 0.000002 0.000004 0.000004 0.000002 -0.000002 29O 2dyz 0.000001 0.000000 0.000001 0.000001 -0.000005 -0.000002 29O 2dx2y2 -0.000004 -0.000009 -0.000006 -0.000019 -0.000001 -0.000010 29O 2dxy -0.000002 0.000000 -0.000003 0.000001 -0.000000 0.000010 29O 1f0 0.000000 0.000001 0.000001 0.000003 -0.000001 -0.000000 29O 1f+1 -0.000000 -0.000000 -0.000001 -0.000001 0.000000 -0.000001 29O 1f-1 -0.000000 0.000002 -0.000000 0.000005 -0.000001 0.000000 29O 1f+2 -0.000001 -0.000001 -0.000001 -0.000002 0.000002 0.000003 29O 1f-2 -0.000000 0.000001 -0.000000 0.000002 -0.000001 0.000000 29O 1f+3 -0.000001 -0.000002 -0.000002 -0.000004 0.000002 0.000001 29O 1f-3 -0.000000 -0.000000 -0.000001 -0.000001 0.000001 0.000001 30O 1s 0.000000 -0.000001 0.000001 -0.000001 -0.000006 -0.000001 30O 2s -0.000001 0.000003 -0.000002 0.000005 0.000022 0.000002 30O 3s 0.000010 -0.000022 0.000020 -0.000042 -0.000150 -0.000022 30O 4s -0.000079 0.000072 -0.000152 0.000138 0.000241 0.000035 30O 5s 0.000337 -0.000011 0.000645 -0.000004 0.001399 0.000371 30O 1pz -0.000000 0.000000 -0.000000 0.000000 -0.000017 0.000000 30O 1px -0.000004 -0.000003 -0.000006 -0.000006 -0.000029 0.000001 30O 1py 0.000001 0.000001 0.000001 0.000002 0.000018 -0.000003 30O 2pz -0.000008 -0.000010 -0.000016 -0.000020 -0.000128 0.000002 30O 2px 0.000015 0.000027 0.000027 0.000054 0.000232 0.000020 30O 2py 0.000009 0.000007 0.000016 0.000014 0.000174 0.000005 30O 3pz 0.000084 -0.000032 0.000163 -0.000058 -0.000292 -0.000176 30O 3px 0.000094 0.000020 0.000181 0.000043 0.000811 0.000183 30O 3py -0.000142 0.000035 -0.000274 0.000062 -0.000008 0.000155 30O 1dz2 0.000001 0.000001 0.000002 0.000001 0.000018 0.000000 30O 1dxz -0.000001 -0.000001 -0.000001 -0.000001 -0.000010 0.000006 30O 1dyz 0.000005 -0.000001 0.000009 -0.000001 0.000062 -0.000002 30O 1dx2y2 0.000002 -0.000001 0.000002 -0.000002 0.000017 0.000000 30O 1dxy 0.000002 0.000001 0.000003 0.000003 0.000033 -0.000009 30O 2dz2 -0.000004 -0.000004 -0.000007 -0.000008 -0.000072 -0.000009 30O 2dxz 0.000002 -0.000005 0.000003 -0.000009 -0.000033 -0.000026 30O 2dyz -0.000021 -0.000002 -0.000038 -0.000004 -0.000236 0.000005 30O 2dx2y2 -0.000007 0.000007 -0.000013 0.000013 -0.000029 0.000016 30O 2dxy -0.000007 0.000002 -0.000012 0.000003 -0.000036 0.000032 30O 1f0 -0.000001 0.000001 -0.000001 0.000001 -0.000024 0.000003 30O 1f+1 0.000000 -0.000000 0.000001 -0.000000 0.000005 -0.000001 30O 1f-1 -0.000001 0.000000 -0.000001 0.000001 -0.000012 -0.000002 30O 1f+2 -0.000002 -0.000000 -0.000004 -0.000000 -0.000041 -0.000006 30O 1f-2 -0.000001 -0.000001 -0.000002 -0.000002 -0.000041 0.000002 30O 1f+3 0.000001 -0.000000 0.000001 -0.000000 0.000026 -0.000005 30O 1f-3 -0.000002 -0.000000 -0.000003 -0.000001 -0.000020 -0.000007 31O 1s 0.000001 -0.000000 0.000001 -0.000001 0.000001 0.000006 31O 2s -0.000003 0.000001 -0.000005 0.000002 -0.000003 -0.000022 31O 3s 0.000022 -0.000011 0.000042 -0.000021 0.000026 0.000150 31O 4s -0.000069 0.000082 -0.000136 0.000156 -0.000041 -0.000241 31O 5s -0.000000 -0.000336 -0.000007 -0.000642 -0.000408 -0.001388 31O 1pz 0.000000 -0.000000 0.000000 -0.000000 -0.000000 -0.000017 31O 1px -0.000003 -0.000003 -0.000007 -0.000006 0.000000 -0.000029 31O 1py 0.000001 0.000001 0.000002 0.000001 -0.000002 0.000018 31O 2pz -0.000010 -0.000008 -0.000020 -0.000015 -0.000001 -0.000128 31O 2px 0.000027 0.000014 0.000055 0.000025 0.000026 0.000231 31O 2py 0.000008 0.000008 0.000015 0.000016 0.000009 0.000173 31O 3pz -0.000029 0.000086 -0.000055 0.000165 -0.000185 -0.000287 31O 3px 0.000023 0.000092 0.000046 0.000179 0.000205 0.000806 31O 3py 0.000030 -0.000144 0.000057 -0.000277 0.000155 -0.000011 31O 1dz2 -0.000001 -0.000001 -0.000001 -0.000002 -0.000000 -0.000018 31O 1dxz 0.000001 0.000001 0.000001 0.000001 -0.000006 0.000011 31O 1dyz 0.000000 -0.000005 0.000001 -0.000009 0.000000 -0.000062 31O 1dx2y2 0.000001 -0.000002 0.000002 -0.000002 -0.000001 -0.000017 31O 1dxy -0.000001 -0.000002 -0.000003 -0.000003 0.000008 -0.000033 31O 2dz2 0.000004 0.000004 0.000008 0.000007 0.000011 0.000072 31O 2dxz 0.000005 -0.000002 0.000009 -0.000003 0.000027 0.000032 31O 2dyz 0.000003 0.000021 0.000005 0.000038 0.000001 0.000236 31O 2dx2y2 -0.000006 0.000008 -0.000013 0.000013 -0.000015 0.000030 31O 2dxy -0.000002 0.000007 -0.000003 0.000012 -0.000031 0.000037 31O 1f0 0.000001 -0.000001 0.000001 -0.000001 0.000002 -0.000024 31O 1f+1 -0.000000 0.000000 -0.000000 0.000001 -0.000001 0.000005 31O 1f-1 0.000000 -0.000001 0.000001 -0.000001 -0.000002 -0.000012 31O 1f+2 -0.000000 -0.000002 -0.000000 -0.000004 -0.000007 -0.000041 31O 1f-2 -0.000001 -0.000001 -0.000002 -0.000002 0.000001 -0.000041 31O 1f+3 -0.000000 0.000001 -0.000000 0.000001 -0.000005 0.000026 31O 1f-3 -0.000000 -0.000002 -0.000001 -0.000003 -0.000007 -0.000019 32O 1s 0.000001 -0.000001 0.000001 -0.000002 -0.000001 -0.000000 32O 2s -0.000002 0.000004 -0.000002 0.000006 0.000004 0.000000 32O 3s 0.000009 -0.000022 0.000014 -0.000042 -0.000023 0.000001 32O 4s -0.000041 0.000064 -0.000074 0.000123 0.000088 0.000006 32O 5s 0.000135 -0.000119 0.000256 -0.000232 -0.000261 -0.000094 32O 1pz -0.000000 0.000001 -0.000000 0.000003 0.000005 0.000001 32O 1px 0.000000 -0.000004 -0.000000 -0.000007 -0.000003 -0.000002 32O 1py -0.000002 -0.000000 -0.000004 -0.000000 -0.000007 -0.000003 32O 2pz 0.000008 -0.000005 0.000014 -0.000009 -0.000027 -0.000005 32O 2px -0.000017 0.000013 -0.000031 0.000024 0.000007 0.000014 32O 2py 0.000015 0.000002 0.000028 0.000004 0.000029 0.000004 32O 3pz -0.000013 0.000015 -0.000024 0.000029 0.000060 0.000026 32O 3px 0.000050 -0.000045 0.000095 -0.000088 0.000009 0.000001 32O 3py 0.000038 -0.000008 0.000074 -0.000014 -0.000225 -0.000098 32O 1dz2 0.000001 0.000001 0.000002 0.000001 0.000001 -0.000000 32O 1dxz 0.000002 0.000001 0.000004 0.000002 0.000001 -0.000000 32O 1dyz 0.000000 0.000000 0.000001 0.000000 -0.000002 -0.000002 32O 1dx2y2 -0.000004 -0.000001 -0.000008 -0.000002 -0.000003 0.000000 32O 1dxy -0.000001 -0.000001 -0.000002 -0.000001 0.000002 0.000001 32O 2dz2 0.000002 -0.000002 0.000003 -0.000003 -0.000002 -0.000001 32O 2dxz -0.000002 -0.000002 -0.000004 -0.000004 0.000003 -0.000002 32O 2dyz 0.000000 -0.000001 -0.000000 -0.000001 0.000003 0.000005 32O 2dx2y2 0.000010 0.000003 0.000019 0.000006 0.000010 0.000000 32O 2dxy -0.000000 0.000002 -0.000001 0.000003 -0.000010 0.000000 32O 1f0 0.000001 0.000000 0.000003 0.000001 -0.000000 -0.000001 32O 1f+1 -0.000000 -0.000000 -0.000001 -0.000001 -0.000001 0.000001 32O 1f-1 0.000002 -0.000000 0.000005 -0.000000 0.000001 -0.000000 32O 1f+2 -0.000001 -0.000001 -0.000003 -0.000001 0.000003 0.000002 32O 1f-2 0.000001 -0.000000 0.000002 -0.000000 0.000000 -0.000001 32O 1f+3 -0.000002 -0.000001 -0.000004 -0.000002 0.000001 0.000002 32O 1f-3 -0.000000 -0.000000 -0.000001 -0.000001 0.000001 0.000000 33O 1s 0.000001 -0.000000 0.000001 -0.000001 -0.000000 -0.000002 33O 2s -0.000003 0.000001 -0.000005 0.000002 0.000000 0.000006 33O 3s 0.000022 -0.000010 0.000043 -0.000019 -0.000004 -0.000038 33O 4s -0.000074 0.000078 -0.000144 0.000148 0.000006 0.000049 33O 5s -0.000013 -0.000297 -0.000032 -0.000567 0.000127 0.000374 33O 1pz -0.000000 -0.000001 -0.000000 -0.000002 0.000002 0.000019 33O 1px -0.000003 -0.000003 -0.000006 -0.000005 0.000001 0.000015 33O 1py -0.000001 -0.000002 -0.000003 -0.000003 -0.000005 -0.000015 33O 2pz -0.000015 -0.000005 -0.000029 -0.000010 -0.000011 0.000009 33O 2px 0.000031 0.000010 0.000062 0.000019 -0.000015 -0.000098 33O 2py 0.000003 0.000001 0.000006 0.000001 0.000027 0.000078 33O 3pz -0.000029 0.000126 -0.000055 0.000240 0.000133 0.000178 33O 3px 0.000031 0.000058 0.000062 0.000114 -0.000033 -0.000088 33O 3py -0.000008 0.000106 -0.000014 0.000203 -0.000068 -0.000349 33O 1dz2 -0.000001 0.000002 -0.000002 0.000004 0.000004 -0.000020 33O 1dxz 0.000001 0.000000 0.000003 -0.000000 0.000004 -0.000005 33O 1dyz 0.000000 0.000005 0.000000 0.000009 -0.000002 -0.000012 33O 1dx2y2 0.000000 -0.000000 0.000001 0.000000 0.000001 -0.000004 33O 1dxy 0.000001 0.000001 0.000002 0.000003 0.000003 -0.000013 33O 2dz2 0.000003 -0.000010 0.000005 -0.000018 -0.000018 0.000057 33O 2dxz 0.000005 -0.000001 0.000010 -0.000002 -0.000013 -0.000014 33O 2dyz -0.000001 -0.000021 -0.000002 -0.000037 0.000006 0.000040 33O 2dx2y2 -0.000007 0.000002 -0.000015 0.000003 0.000003 0.000021 33O 2dxy -0.000003 -0.000005 -0.000006 -0.000009 -0.000009 0.000041 33O 1f0 0.000000 0.000001 0.000001 0.000002 -0.000000 -0.000012 33O 1f+1 0.000001 0.000000 0.000001 0.000000 0.000003 -0.000013 33O 1f-1 -0.000000 0.000002 -0.000001 0.000004 -0.000000 -0.000019 33O 1f+2 -0.000001 -0.000002 -0.000002 -0.000003 0.000003 0.000002 33O 1f-2 0.000001 -0.000000 0.000001 -0.000000 0.000001 -0.000004 33O 1f+3 -0.000001 -0.000000 -0.000001 -0.000001 0.000000 0.000003 33O 1f-3 -0.000000 0.000000 -0.000001 0.000001 -0.000000 0.000007 34O 1s 0.000000 -0.000001 0.000000 -0.000002 0.000006 0.000000 34O 2s -0.000001 0.000003 -0.000002 0.000005 -0.000021 -0.000002 34O 3s 0.000008 -0.000023 0.000016 -0.000045 0.000138 0.000015 34O 4s -0.000070 0.000080 -0.000135 0.000153 -0.000210 -0.000015 34O 5s 0.000321 0.000002 0.000616 0.000022 -0.001406 -0.000309 34O 1pz 0.000002 0.000001 0.000004 0.000003 -0.000029 0.000001 34O 1px -0.000002 -0.000002 -0.000004 -0.000005 0.000008 -0.000001 34O 1py -0.000003 -0.000001 -0.000004 -0.000003 0.000024 -0.000004 34O 2pz -0.000004 -0.000006 -0.000006 -0.000013 0.000044 0.000011 34O 2px 0.000018 0.000034 0.000033 0.000068 -0.000309 -0.000002 34O 2py -0.000001 -0.000000 -0.000002 -0.000000 0.000079 0.000003 34O 3pz -0.000089 0.000001 -0.000172 -0.000004 0.000220 -0.000033 34O 3px -0.000006 0.000044 -0.000011 0.000086 -0.000688 -0.000273 34O 3py 0.000139 -0.000018 0.000268 -0.000028 -0.000318 0.000067 34O 1dz2 0.000002 -0.000000 0.000004 -0.000001 -0.000017 -0.000004 34O 1dxz -0.000001 0.000001 -0.000001 0.000002 0.000010 -0.000001 34O 1dyz 0.000005 0.000001 0.000008 0.000002 -0.000066 0.000007 34O 1dx2y2 0.000001 0.000001 0.000002 0.000001 -0.000021 0.000007 34O 1dxy 0.000003 -0.000001 0.000005 -0.000003 -0.000024 -0.000003 34O 2dz2 -0.000008 -0.000004 -0.000015 -0.000008 0.000106 0.000015 34O 2dxz 0.000004 -0.000005 0.000008 -0.000009 -0.000020 0.000016 34O 2dyz -0.000019 -0.000002 -0.000033 -0.000004 0.000197 -0.000020 34O 2dx2y2 -0.000005 0.000007 -0.000009 0.000014 -0.000019 -0.000034 34O 2dxy -0.000012 0.000001 -0.000022 0.000002 0.000107 -0.000001 34O 1f0 0.000001 0.000000 0.000002 0.000001 -0.000031 -0.000003 34O 1f+1 -0.000000 -0.000001 -0.000001 -0.000002 0.000010 0.000001 34O 1f-1 -0.000000 0.000000 -0.000000 0.000001 -0.000014 0.000003 34O 1f+2 0.000001 -0.000000 0.000001 -0.000000 -0.000033 0.000006 34O 1f-2 0.000002 -0.000000 0.000003 -0.000001 -0.000031 -0.000002 34O 1f+3 -0.000002 -0.000001 -0.000004 -0.000001 0.000038 0.000007 34O 1f-3 0.000000 0.000001 0.000000 0.000001 -0.000013 0.000006 35O 1s 0.000000 -0.000001 0.000001 -0.000001 -0.000002 -0.000000 35O 2s -0.000001 0.000003 -0.000002 0.000005 0.000007 0.000001 35O 3s 0.000009 -0.000023 0.000019 -0.000043 -0.000052 -0.000010 35O 4s -0.000075 0.000076 -0.000146 0.000145 0.000097 0.000014 35O 5s 0.000342 -0.000008 0.000652 0.000001 0.000455 0.000114 35O 1pz 0.000003 0.000002 0.000005 0.000004 0.000022 0.000002 35O 1px -0.000003 -0.000002 -0.000006 -0.000005 0.000004 0.000002 35O 1py 0.000001 0.000000 0.000001 0.000000 -0.000017 -0.000004 35O 2pz -0.000000 -0.000004 0.000001 -0.000009 -0.000034 -0.000021 35O 2px 0.000020 0.000029 0.000038 0.000058 0.000067 -0.000004 35O 2py 0.000007 0.000008 0.000014 0.000016 0.000112 0.000023 35O 3pz -0.000161 0.000018 -0.000309 0.000026 0.000089 0.000063 35O 3px 0.000008 0.000042 0.000015 0.000083 0.000403 0.000118 35O 3py -0.000091 0.000026 -0.000174 0.000046 -0.000212 -0.000050 35O 1dz2 -0.000002 -0.000001 -0.000004 -0.000002 -0.000017 0.000006 35O 1dxz -0.000001 0.000002 -0.000002 0.000003 -0.000008 0.000002 35O 1dyz -0.000005 -0.000000 -0.000009 -0.000001 -0.000017 -0.000001 35O 1dx2y2 -0.000000 -0.000000 -0.000000 -0.000000 -0.000010 0.000003 35O 1dxy -0.000002 0.000001 -0.000004 0.000002 -0.000002 -0.000002 35O 2dz2 0.000009 -0.000003 0.000016 -0.000005 0.000027 -0.000020 35O 2dxz 0.000005 -0.000004 0.000010 -0.000008 0.000030 -0.000012 35O 2dyz 0.000021 0.000001 0.000037 0.000002 0.000059 0.000001 35O 2dx2y2 -0.000000 0.000007 0.000000 0.000014 0.000049 -0.000006 35O 2dxy 0.000009 0.000003 0.000017 0.000006 0.000025 0.000012 35O 1f0 0.000000 -0.000000 0.000000 -0.000000 -0.000018 0.000004 35O 1f+1 -0.000002 -0.000000 -0.000003 -0.000001 -0.000010 -0.000002 35O 1f-1 -0.000002 -0.000000 -0.000003 -0.000001 -0.000016 0.000000 35O 1f+2 0.000001 -0.000000 0.000002 -0.000000 0.000002 0.000000 35O 1f-2 -0.000001 0.000001 -0.000003 0.000001 -0.000008 -0.000001 35O 1f+3 -0.000001 -0.000001 -0.000001 -0.000001 -0.000008 -0.000001 35O 1f-3 -0.000001 -0.000001 -0.000001 -0.000002 0.000000 -0.000001 6 7 8 9 10 11 -108.88101 -108.88095 -108.87963 -108.87957 -21.10363 -21.10357 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s -0.000005 0.000078 -0.000000 -0.000000 0.026145 -0.139044 0Rh 2s -0.000063 -0.000295 -0.000001 0.000003 -0.101725 0.541916 0Rh 3s -0.000079 -0.000059 -0.000001 0.000002 0.061148 -0.324530 0Rh 4s 0.000202 0.000127 0.000002 -0.000006 0.130542 -0.697229 0Rh 5s -0.000268 -0.000208 -0.000004 0.000010 0.027713 -0.142658 0Rh 6s 0.000262 0.000365 0.000006 -0.000013 -0.007184 0.031494 0Rh 7s 0.001102 -0.002083 -0.000078 0.000040 0.008960 -0.023002 0Rh 8s 0.000005 0.001134 -0.000004 -0.000042 0.003958 -0.001878 0Rh 1pz 0.008337 0.294354 -0.012269 -0.914327 -0.000021 0.000131 0Rh 1px -0.025803 -0.919393 -0.003020 -0.220889 0.000051 -0.000337 0Rh 1py -0.006115 -0.215320 -0.004129 -0.306767 0.000018 -0.000107 0Rh 2pz 0.000232 0.008118 -0.000343 -0.025206 0.000038 -0.000297 0Rh 2px -0.000719 -0.025351 -0.000084 -0.006088 -0.000083 0.000767 0Rh 2py -0.000170 -0.005936 -0.000115 -0.008455 -0.000035 0.000245 0Rh 3pz -0.000110 -0.003571 0.000175 0.011073 0.000108 -0.000057 0Rh 3px 0.000339 0.011136 0.000041 0.002668 -0.000363 0.000125 0Rh 3py 0.000076 0.002600 0.000058 0.003711 -0.000067 0.000029 0Rh 4pz 0.000071 0.002565 -0.000177 -0.007906 -0.000226 0.000064 0Rh 4px -0.000214 -0.007973 -0.000041 -0.001892 0.000772 -0.000107 0Rh 4py -0.000046 -0.001848 -0.000059 -0.002647 0.000137 -0.000010 0Rh 5pz 0.000046 -0.001253 0.000176 0.003654 0.000165 -0.000020 0Rh 5px -0.000153 0.003855 0.000041 0.000855 -0.000623 -0.000083 0Rh 5py -0.000027 0.000863 0.000060 0.001220 -0.000106 -0.000065 0Rh 6pz -0.000253 0.001067 -0.000868 -0.001532 0.003078 -0.001227 0Rh 6px 0.000712 -0.002920 -0.000120 -0.000212 -0.008854 0.004248 0Rh 6py 0.000052 -0.000279 -0.000275 -0.000476 -0.001471 0.002010 0Rh 1dz2 0.000002 -0.000006 -0.000003 -0.000009 -0.000010 0.000048 0Rh 1dxz 0.000003 -0.000008 0.000004 0.000014 0.000020 -0.000118 0Rh 1dyz 0.000000 -0.000003 0.000000 0.000003 -0.000013 0.000065 0Rh 1dx2y2 -0.000005 0.000012 0.000001 0.000002 -0.000060 0.000334 0Rh 1dxy -0.000001 0.000007 0.000002 0.000006 -0.000031 0.000171 0Rh 2dz2 -0.000012 0.000003 0.000011 0.000009 0.000004 0.000019 0Rh 2dxz -0.000016 0.000003 -0.000018 -0.000015 0.000030 -0.000100 0Rh 2dyz -0.000002 0.000002 -0.000001 -0.000003 -0.000000 0.000010 0Rh 2dx2y2 0.000024 -0.000005 -0.000005 -0.000003 -0.000065 0.000267 0Rh 2dxy 0.000007 -0.000005 -0.000007 -0.000006 -0.000027 0.000112 0Rh 3dz2 0.000034 0.000000 -0.000028 -0.000013 -0.000025 -0.000005 0Rh 3dxz 0.000047 0.000002 0.000042 0.000022 -0.000030 -0.000041 0Rh 3dyz 0.000006 -0.000001 0.000003 0.000005 -0.000013 0.000037 0Rh 3dx2y2 -0.000070 -0.000003 0.000012 0.000005 0.000033 0.000099 0Rh 3dxy -0.000021 0.000004 0.000018 0.000009 0.000005 0.000082 0Rh 4dz2 -0.000096 -0.000012 0.000053 0.000013 0.000072 0.000124 0Rh 4dxz -0.000131 -0.000019 -0.000078 -0.000022 0.000107 0.000147 0Rh 4dyz -0.000020 -0.000002 -0.000005 -0.000005 0.000017 0.000029 0Rh 4dx2y2 0.000198 0.000027 -0.000024 -0.000005 -0.000145 -0.000247 0Rh 4dxy 0.000063 0.000004 -0.000034 -0.000008 -0.000045 -0.000145 0Rh 5dz2 0.000244 0.000082 -0.000075 0.000030 -0.000411 -0.000639 0Rh 5dxz 0.000335 0.000113 0.000102 -0.000053 -0.000589 -0.000790 0Rh 5dyz 0.000054 0.000020 0.000007 -0.000002 -0.000091 -0.000167 0Rh 5dx2y2 -0.000504 -0.000166 0.000038 -0.000008 0.000853 0.001241 0Rh 5dxy -0.000167 -0.000060 0.000048 -0.000024 0.000293 0.000559 0Rh 1f0 0.000020 0.000010 0.000000 -0.000002 -0.000037 -0.000002 0Rh 1f+1 -0.000016 -0.000006 -0.000000 0.000008 0.000030 0.000006 0Rh 1f-1 -0.000003 0.000002 -0.000004 0.000041 0.000005 0.000010 0Rh 1f+2 -0.000025 -0.000009 0.000003 -0.000032 0.000047 0.000013 0Rh 1f-2 -0.000010 -0.000001 -0.000001 0.000007 0.000019 0.000006 0Rh 1f+3 -0.000030 -0.000013 -0.000001 0.000013 0.000055 0.000012 0Rh 1f-3 -0.000018 -0.000007 0.000000 0.000001 0.000034 0.000005 1Rh 1s -0.000078 0.000009 0.000000 0.000000 -0.139049 -0.026120 1Rh 2s 0.000298 0.000046 -0.000002 0.000001 0.541871 0.101963 1Rh 3s 0.000063 0.000076 -0.000002 0.000001 -0.324586 -0.060848 1Rh 4s -0.000138 -0.000194 0.000006 -0.000002 -0.697049 -0.131501 1Rh 5s 0.000223 0.000256 -0.000009 0.000004 -0.142984 -0.025971 1Rh 6s -0.000379 -0.000241 0.000013 -0.000006 0.031952 0.004740 1Rh 7s 0.002017 -0.001216 -0.000037 0.000079 -0.024681 -0.000001 1Rh 8s -0.001133 0.000058 0.000045 0.000005 -0.003186 0.003004 1Rh 1pz 0.295131 -0.008226 -0.914093 0.012296 -0.000129 -0.000028 1Rh 1px -0.919094 0.025869 -0.221532 0.002931 0.000333 0.000075 1Rh 1py -0.215533 0.006000 -0.307000 0.004119 0.000107 0.000022 1Rh 2pz 0.008139 -0.000224 -0.025200 0.000335 0.000289 0.000072 1Rh 2px -0.025343 0.000706 -0.006106 0.000080 -0.000747 -0.000202 1Rh 2py -0.005942 0.000164 -0.008461 0.000112 -0.000241 -0.000056 1Rh 3pz -0.003581 0.000091 0.011071 -0.000123 0.000092 -0.000080 1Rh 3px 0.011134 -0.000287 0.002676 -0.000031 -0.000248 0.000293 1Rh 3py 0.002603 -0.000070 0.003715 -0.000041 -0.000052 0.000052 1Rh 4pz 0.002572 -0.000073 -0.007906 0.000035 -0.000141 0.000187 1Rh 4px -0.007970 0.000234 -0.001898 0.000010 0.000380 -0.000681 1Rh 4py -0.001849 0.000058 -0.002650 0.000012 0.000060 -0.000123 1Rh 5pz -0.001251 0.000116 0.003657 0.000078 0.000078 -0.000146 1Rh 5px 0.003839 -0.000369 0.000859 0.000019 -0.000147 0.000611 1Rh 5py 0.000862 -0.000076 0.001222 0.000027 0.000021 0.000121 1Rh 6pz 0.001050 -0.000312 -0.001556 -0.000827 0.002246 -0.002414 1Rh 6px -0.002875 0.000876 -0.000219 -0.000114 -0.007181 0.006707 1Rh 6py -0.000282 0.000068 -0.000486 -0.000263 -0.002394 0.000645 1Rh 1dz2 0.000006 -0.000003 0.000009 0.000003 0.000048 0.000008 1Rh 1dxz 0.000008 -0.000004 -0.000014 -0.000004 -0.000117 -0.000024 1Rh 1dyz 0.000003 -0.000001 -0.000003 -0.000000 0.000065 0.000012 1Rh 1dx2y2 -0.000011 0.000006 -0.000002 -0.000001 0.000332 0.000065 1Rh 1dxy -0.000007 0.000002 -0.000006 -0.000002 0.000171 0.000033 1Rh 2dz2 -0.000002 0.000012 -0.000009 -0.000011 0.000017 0.000011 1Rh 2dxz -0.000002 0.000016 0.000015 0.000017 -0.000104 -0.000008 1Rh 2dyz -0.000001 0.000002 0.000003 0.000001 0.000009 0.000004 1Rh 2dx2y2 0.000003 -0.000024 0.000003 0.000005 0.000272 0.000036 1Rh 2dxy 0.000004 -0.000007 0.000006 0.000007 0.000114 0.000016 1Rh 3dz2 -0.000002 -0.000034 0.000014 0.000028 0.000005 -0.000025 1Rh 3dxz -0.000005 -0.000046 -0.000023 -0.000042 -0.000027 -0.000043 1Rh 3dyz 0.000001 -0.000007 -0.000005 -0.000003 0.000040 0.000001 1Rh 3dx2y2 0.000006 0.000070 -0.000005 -0.000012 0.000080 0.000067 1Rh 3dxy -0.000002 0.000021 -0.000009 -0.000018 0.000074 0.000034 1Rh 4dz2 0.000018 0.000095 -0.000015 -0.000053 0.000089 0.000112 1Rh 4dxz 0.000027 0.000130 0.000024 0.000077 0.000099 0.000153 1Rh 4dyz 0.000003 0.000020 0.000006 0.000005 0.000020 0.000027 1Rh 4dx2y2 -0.000038 -0.000196 0.000006 0.000024 -0.000177 -0.000224 1Rh 4dxy -0.000008 -0.000063 0.000009 0.000034 -0.000118 -0.000094 1Rh 5dz2 -0.000095 -0.000240 -0.000027 0.000076 -0.000446 -0.000615 1Rh 5dxz -0.000131 -0.000328 0.000050 -0.000103 -0.000522 -0.000835 1Rh 5dyz -0.000023 -0.000053 0.000002 -0.000007 -0.000123 -0.000146 1Rh 5dx2y2 0.000194 0.000494 0.000007 -0.000039 0.000845 0.001245 1Rh 5dxy 0.000070 0.000163 0.000023 -0.000048 0.000412 0.000474 1Rh 1f0 0.000011 0.000019 -0.000002 0.000001 -0.000011 0.000035 1Rh 1f+1 -0.000007 -0.000016 0.000008 -0.000000 0.000005 -0.000030 1Rh 1f-1 0.000002 -0.000004 0.000041 -0.000005 -0.000007 -0.000009 1Rh 1f+2 -0.000011 -0.000025 -0.000032 0.000004 0.000006 -0.000048 1Rh 1f-2 -0.000002 -0.000010 0.000007 -0.000001 0.000001 -0.000020 1Rh 1f+3 -0.000015 -0.000029 0.000013 -0.000002 0.000008 -0.000056 1Rh 1f-3 -0.000008 -0.000018 0.000001 0.000000 0.000008 -0.000034 2C 1s -0.000001 0.000001 0.000003 0.000001 0.000001 -0.000003 2C 2s 0.000004 -0.000004 -0.000009 -0.000004 -0.000004 0.000011 2C 3s 0.000043 -0.000042 0.000020 -0.000001 0.000373 0.000474 2C 4s -0.000465 0.000472 0.000042 0.000068 -0.002221 -0.003128 2C 5s 0.000360 -0.000196 -0.000467 -0.000882 0.002528 0.001907 2C 1pz 0.000003 -0.000003 -0.000001 0.000001 0.000017 0.000025 2C 1px -0.000002 -0.000003 -0.000002 -0.000005 0.000003 -0.000017 2C 1py 0.000001 -0.000003 0.000003 0.000004 0.000017 0.000019 2C 2pz -0.000346 0.000376 0.000114 0.000074 -0.000927 -0.001341 2C 2px -0.000075 0.000070 0.000070 0.000042 -0.000169 -0.000126 2C 2py -0.000231 0.000244 0.000063 0.000016 -0.000667 -0.000944 2C 3pz 0.000129 -0.000115 -0.000066 -0.000184 0.000470 0.000253 2C 3px 0.000101 -0.000048 -0.000166 0.000072 -0.000597 -0.000152 2C 3py 0.000087 -0.000055 -0.000101 -0.000075 0.000264 0.000361 2C 1dz2 -0.000009 0.000008 -0.000006 0.000002 -0.000045 -0.000024 2C 1dxz -0.000005 0.000007 0.000005 -0.000006 0.000016 -0.000028 2C 1dyz -0.000011 0.000010 0.000002 -0.000003 -0.000039 -0.000073 2C 1dx2y2 0.000007 -0.000007 0.000003 -0.000005 0.000022 -0.000004 2C 1dxy -0.000000 0.000002 0.000004 -0.000005 0.000008 -0.000034 2C 2dz2 -0.000085 0.000071 0.000056 0.000016 -0.000157 -0.000336 2C 2dxz 0.000002 0.000048 -0.000016 0.000006 -0.000214 -0.000214 2C 2dyz -0.000123 0.000117 0.000059 0.000059 -0.000339 -0.000320 2C 2dx2y2 0.000020 -0.000042 -0.000005 0.000029 0.000022 0.000258 2C 2dxy -0.000002 0.000036 0.000007 0.000036 -0.000105 -0.000018 2C 1f0 -0.000010 -0.000002 0.000004 -0.000003 -0.000009 -0.000030 2C 1f+1 -0.000005 0.000013 -0.000004 0.000001 -0.000033 -0.000023 2C 1f-1 -0.000008 0.000005 0.000003 0.000001 -0.000066 -0.000110 2C 1f+2 0.000011 -0.000004 0.000001 0.000001 0.000038 0.000059 2C 1f-2 0.000005 0.000009 -0.000003 0.000003 -0.000045 -0.000043 2C 1f+3 0.000001 0.000004 0.000001 -0.000000 -0.000019 -0.000003 2C 1f-3 -0.000009 0.000004 -0.000000 -0.000004 -0.000001 -0.000007 3C 1s -0.000001 0.000001 0.000000 -0.000000 0.000000 -0.000002 3C 2s 0.000004 -0.000004 -0.000000 0.000001 -0.000001 0.000009 3C 3s 0.000045 -0.000039 -0.000003 -0.000011 0.000348 0.000492 3C 4s -0.000469 0.000468 0.000044 0.000064 -0.002155 -0.003204 3C 5s 0.000254 -0.000196 -0.000356 -0.000338 0.002642 0.001815 3C 1pz 0.000002 -0.000001 -0.000004 -0.000006 0.000015 0.000032 3C 1px -0.000001 -0.000003 0.000000 -0.000003 0.000008 -0.000004 3C 1py -0.000004 0.000003 -0.000002 -0.000004 -0.000010 -0.000022 3C 2pz -0.000199 0.000215 0.000043 0.000062 -0.000590 -0.000968 3C 2px -0.000146 0.000135 0.000024 0.000044 -0.000336 -0.000433 3C 2py 0.000357 -0.000367 -0.000061 -0.000031 0.000874 0.001360 3C 3pz 0.000015 -0.000043 0.000036 -0.000000 0.000601 0.000403 3C 3px 0.000091 -0.000032 -0.000015 -0.000022 -0.000334 0.000186 3C 3py -0.000129 0.000135 0.000114 0.000060 -0.000375 -0.000094 3C 1dz2 -0.000000 -0.000001 -0.000005 -0.000005 0.000005 0.000027 3C 1dxz -0.000005 0.000007 -0.000002 -0.000002 -0.000009 -0.000014 3C 1dyz 0.000009 -0.000008 0.000002 0.000002 0.000050 0.000058 3C 1dx2y2 0.000011 -0.000010 -0.000003 -0.000005 0.000042 0.000016 3C 1dxy 0.000007 -0.000009 -0.000003 0.000001 -0.000010 0.000058 3C 2dz2 0.000015 -0.000028 0.000022 0.000022 0.000076 0.000036 3C 2dxz -0.000011 0.000058 0.000028 0.000014 -0.000055 -0.000222 3C 2dyz 0.000124 -0.000090 -0.000058 -0.000049 0.000204 0.000285 3C 2dx2y2 0.000076 -0.000065 0.000011 0.000007 0.000185 0.000441 3C 2dxy 0.000044 -0.000080 -0.000006 -0.000016 0.000305 0.000205 3C 1f0 0.000001 -0.000002 0.000002 -0.000004 0.000044 0.000058 3C 1f+1 -0.000007 0.000001 0.000002 0.000005 0.000004 -0.000004 3C 1f-1 0.000004 0.000002 -0.000011 -0.000005 -0.000008 0.000003 3C 1f+2 0.000008 0.000002 -0.000001 0.000002 0.000039 0.000091 3C 1f-2 0.000004 -0.000010 0.000002 -0.000004 0.000054 0.000057 3C 1f+3 -0.000004 0.000015 0.000003 -0.000002 -0.000047 -0.000053 3C 1f-3 0.000016 -0.000001 0.000002 0.000002 0.000015 0.000041 4C 1s -0.000002 0.000003 0.000004 0.000003 -0.000003 -0.000005 4C 2s 0.000008 -0.000009 -0.000013 -0.000011 0.000014 0.000026 4C 3s 0.000056 -0.000040 0.000355 0.000344 -0.000553 -0.000755 4C 4s -0.000899 0.000837 -0.001550 -0.001564 0.002189 0.002692 4C 5s -0.000191 0.000144 -0.000917 -0.000786 -0.001221 -0.000881 4C 1pz 0.000012 -0.000007 0.000032 0.000015 0.000092 0.000091 4C 1px -0.000005 -0.000004 -0.000023 0.000036 -0.000065 0.000084 4C 1py 0.000004 -0.000004 0.000007 0.000020 0.000030 0.000080 4C 2pz -0.000604 0.000441 -0.000412 -0.000107 -0.001490 -0.001028 4C 2px 0.000208 0.000282 0.000492 -0.000633 0.001508 -0.001723 4C 2py -0.000279 0.000362 -0.000042 -0.000283 -0.000322 -0.001232 4C 3pz 0.000472 -0.000347 -0.001152 -0.001155 0.000016 -0.000794 4C 3px -0.000037 -0.000099 -0.000146 -0.000338 -0.000521 0.000541 4C 3py 0.000280 -0.000260 -0.000693 -0.000767 -0.000305 -0.000392 4C 1dz2 -0.000019 0.000016 0.000021 0.000021 -0.000029 -0.000010 4C 1dxz 0.000001 0.000011 0.000024 0.000016 0.000022 -0.000030 4C 1dyz -0.000033 0.000033 0.000020 0.000017 -0.000019 -0.000034 4C 1dx2y2 0.000001 -0.000006 -0.000035 -0.000031 0.000013 0.000015 4C 1dxy -0.000005 0.000011 -0.000005 -0.000012 0.000017 -0.000027 4C 2dz2 0.000206 -0.000277 -0.000133 0.000101 -0.000094 0.000638 4C 2dxz 0.000284 -0.000196 0.000244 -0.000065 0.000478 -0.000412 4C 2dyz 0.000263 -0.000281 -0.000201 -0.000168 0.000482 0.000759 4C 2dx2y2 -0.000262 0.000289 -0.000111 -0.000190 0.000127 -0.000033 4C 2dxy 0.000029 0.000041 -0.000012 -0.000234 0.000591 -0.000075 4C 1f0 0.000030 0.000016 0.000022 0.000007 -0.000058 -0.000063 4C 1f+1 -0.000007 -0.000036 0.000034 0.000036 -0.000073 -0.000152 4C 1f-1 -0.000005 0.000012 -0.000022 0.000009 -0.000130 -0.000080 4C 1f+2 -0.000034 -0.000007 -0.000054 0.000005 0.000060 0.000183 4C 1f-2 -0.000024 -0.000019 0.000014 -0.000022 0.000043 -0.000090 4C 1f+3 -0.000034 -0.000022 -0.000034 0.000026 -0.000032 0.000031 4C 1f-3 0.000003 -0.000022 -0.000001 0.000062 -0.000137 -0.000057 5C 1s -0.000003 0.000002 0.000001 0.000001 -0.000003 -0.000005 5C 2s 0.000009 -0.000008 -0.000004 -0.000003 0.000014 0.000027 5C 3s 0.000023 -0.000074 0.000108 0.000114 -0.000515 -0.000758 5C 4s -0.000737 0.001016 -0.000480 -0.000553 0.001948 0.002718 5C 5s -0.000159 0.000142 -0.000173 -0.000177 -0.001061 -0.001149 5C 1pz 0.000003 -0.000003 0.000012 0.000006 0.000065 0.000045 5C 1px -0.000000 -0.000010 -0.000004 0.000014 -0.000060 0.000094 5C 1py -0.000008 0.000009 -0.000003 0.000000 -0.000086 -0.000099 5C 2pz -0.000339 0.000224 -0.000118 -0.000021 -0.001180 -0.000497 5C 2px 0.000035 0.000488 0.000111 -0.000238 0.001558 -0.001810 5C 2py 0.000509 -0.000488 0.000034 -0.000007 0.001324 0.001304 5C 3pz 0.000271 -0.000188 -0.000414 -0.000342 0.000160 -0.000690 5C 3px 0.000095 -0.000240 -0.000169 -0.000154 -0.000693 -0.000126 5C 3py -0.000394 0.000338 0.000281 0.000207 -0.000170 0.000852 5C 1dz2 0.000005 -0.000012 0.000001 -0.000002 -0.000011 0.000014 5C 1dxz -0.000005 0.000007 0.000000 0.000008 0.000006 -0.000032 5C 1dyz 0.000031 -0.000029 -0.000000 -0.000000 0.000037 0.000020 5C 1dx2y2 0.000018 -0.000010 -0.000015 -0.000015 0.000026 0.000009 5C 1dxy 0.000014 -0.000022 -0.000009 0.000000 -0.000020 0.000039 5C 2dz2 0.000034 -0.000088 0.000023 0.000113 -0.000401 -0.000143 5C 2dxz 0.000218 -0.000198 0.000089 -0.000041 0.000329 -0.000026 5C 2dyz -0.000180 0.000216 0.000078 0.000032 -0.000232 -0.000879 5C 2dx2y2 -0.000323 0.000418 0.000034 -0.000050 0.000298 -0.000467 5C 2dxy -0.000254 0.000166 0.000013 0.000033 -0.000787 -0.000003 5C 1f0 0.000026 0.000002 0.000011 0.000001 0.000055 -0.000013 5C 1f+1 0.000003 -0.000025 0.000003 0.000015 -0.000111 -0.000042 5C 1f-1 -0.000012 -0.000006 0.000009 -0.000001 0.000053 -0.000009 5C 1f+2 -0.000023 -0.000033 -0.000004 0.000002 0.000059 0.000075 5C 1f-2 -0.000000 0.000010 -0.000016 0.000008 -0.000001 0.000195 5C 1f+3 -0.000023 -0.000042 -0.000002 0.000021 -0.000124 -0.000135 5C 1f-3 -0.000037 -0.000007 -0.000010 -0.000009 0.000120 0.000106 6C 1s -0.000002 0.000003 -0.000001 -0.000001 -0.000004 -0.000005 6C 2s 0.000008 -0.000009 0.000003 0.000004 0.000020 0.000023 6C 3s 0.000073 -0.000028 -0.000117 -0.000104 -0.000520 -0.000760 6C 4s -0.000973 0.000796 0.000565 0.000462 0.001825 0.002833 6C 5s -0.000132 0.000169 0.000179 0.000168 -0.000683 -0.001407 6C 1pz -0.000003 0.000003 0.000007 0.000012 -0.000018 -0.000077 6C 1px -0.000010 0.000000 0.000014 -0.000004 -0.000109 0.000021 6C 1py 0.000009 -0.000008 0.000000 -0.000003 0.000061 0.000116 6C 2pz 0.000204 -0.000352 -0.000023 -0.000117 0.000036 0.001272 6C 2px 0.000491 0.000008 -0.000234 0.000115 0.002245 -0.000783 6C 2py -0.000458 0.000536 -0.000007 0.000034 -0.000736 -0.001697 6C 3pz -0.000173 0.000279 -0.000352 -0.000405 0.000709 0.000088 6C 3px -0.000233 0.000109 -0.000157 -0.000164 -0.000140 0.000696 6C 3py 0.000317 -0.000411 0.000213 0.000277 -0.000868 -0.000136 6C 1dz2 0.000011 -0.000006 0.000002 -0.000001 0.000017 -0.000006 6C 1dxz -0.000007 0.000005 -0.000008 -0.000000 -0.000033 -0.000006 6C 1dyz 0.000028 -0.000032 0.000000 0.000000 0.000005 0.000042 6C 1dx2y2 0.000008 -0.000019 0.000015 0.000014 -0.000001 0.000027 6C 1dxy 0.000021 -0.000015 -0.000000 0.000009 0.000044 -0.000004 6C 2dz2 0.000086 -0.000039 -0.000114 -0.000020 0.000013 -0.000428 6C 2dxz 0.000185 -0.000229 0.000039 -0.000090 -0.000143 0.000292 6C 2dyz -0.000206 0.000191 -0.000034 -0.000077 -0.000734 -0.000538 6C 2dx2y2 -0.000399 0.000346 0.000049 -0.000035 -0.000544 0.000112 6C 2dxy -0.000151 0.000263 -0.000034 -0.000013 0.000282 -0.000730 6C 1f0 0.000003 0.000026 0.000001 0.000011 0.000032 -0.000046 6C 1f+1 -0.000025 0.000004 0.000015 0.000003 -0.000001 0.000119 6C 1f-1 -0.000007 -0.000011 -0.000001 0.000009 0.000028 -0.000046 6C 1f+2 -0.000035 -0.000022 0.000001 -0.000004 -0.000049 -0.000082 6C 1f-2 0.000010 -0.000001 0.000007 -0.000016 -0.000182 -0.000071 6C 1f+3 -0.000044 -0.000021 0.000021 -0.000002 0.000081 0.000165 6C 1f-3 -0.000009 -0.000036 -0.000010 -0.000010 -0.000055 -0.000151 7C 1s -0.000003 0.000003 -0.000003 -0.000004 -0.000004 -0.000004 7C 2s 0.000009 -0.000009 0.000011 0.000013 0.000019 0.000022 7C 3s 0.000038 -0.000058 -0.000354 -0.000346 -0.000507 -0.000792 7C 4s -0.000790 0.000944 0.001607 0.001506 0.001734 0.003037 7C 5s -0.000133 0.000200 0.000807 0.000894 -0.000362 -0.001463 7C 1pz -0.000006 0.000012 0.000016 0.000031 -0.000052 -0.000119 7C 1px -0.000004 -0.000004 0.000036 -0.000024 -0.000102 0.000030 7C 1py -0.000004 0.000005 0.000020 0.000007 -0.000063 -0.000057 7C 2pz 0.000406 -0.000628 -0.000118 -0.000407 0.000416 0.001753 7C 2px 0.000295 0.000195 -0.000619 0.000508 0.002142 -0.000779 7C 2py 0.000349 -0.000300 -0.000284 -0.000035 0.001029 0.000749 7C 3pz -0.000320 0.000494 -0.001187 -0.001118 0.000741 0.000266 7C 3px -0.000100 -0.000032 -0.000341 -0.000138 -0.000704 0.000293 7C 3py -0.000245 0.000297 -0.000789 -0.000672 0.000245 0.000418 7C 1dz2 -0.000015 0.000020 -0.000021 -0.000021 0.000000 -0.000031 7C 1dxz -0.000011 -0.000000 -0.000017 -0.000023 -0.000036 0.000010 7C 1dyz -0.000031 0.000034 -0.000018 -0.000020 -0.000025 -0.000030 7C 1dx2y2 0.000006 -0.000002 0.000032 0.000034 0.000010 0.000017 7C 1dxy -0.000011 0.000006 0.000012 0.000004 -0.000031 0.000006 7C 2dz2 0.000265 -0.000220 -0.000098 0.000135 0.000625 0.000141 7C 2dxz 0.000180 -0.000294 0.000058 -0.000245 -0.000558 0.000292 7C 2dyz 0.000266 -0.000279 0.000173 0.000197 0.000535 0.000725 7C 2dx2y2 -0.000275 0.000278 0.000193 0.000105 -0.000074 0.000109 7C 2dxy -0.000043 -0.000028 0.000234 0.000005 -0.000283 0.000525 7C 1f0 0.000018 0.000029 0.000008 0.000022 0.000037 0.000076 7C 1f+1 -0.000036 -0.000005 0.000037 0.000032 0.000115 0.000123 7C 1f-1 0.000011 -0.000006 0.000008 -0.000023 0.000028 0.000150 7C 1f+2 -0.000009 -0.000033 0.000004 -0.000054 -0.000149 -0.000123 7C 1f-2 -0.000020 -0.000022 -0.000021 0.000015 0.000099 -0.000008 7C 1f+3 -0.000024 -0.000033 0.000025 -0.000035 -0.000040 0.000019 7C 1f-3 -0.000022 0.000004 0.000063 -0.000003 0.000005 0.000149 8C 1s -0.000001 0.000001 0.000000 -0.000000 -0.000002 -0.000001 8C 2s 0.000004 -0.000004 -0.000001 0.000000 0.000009 0.000002 8C 3s 0.000037 -0.000047 0.000011 0.000003 0.000331 0.000503 8C 4s -0.000440 0.000495 -0.000066 -0.000042 -0.002203 -0.003171 8C 5s 0.000182 -0.000263 0.000347 0.000345 0.000712 0.003152 8C 1pz -0.000001 0.000002 -0.000007 -0.000004 -0.000025 -0.000025 8C 1px -0.000003 -0.000001 -0.000003 0.000000 0.000007 -0.000006 8C 1py 0.000002 -0.000004 -0.000004 -0.000002 0.000017 0.000018 8C 2pz 0.000203 -0.000211 0.000064 0.000040 0.000687 0.000899 8C 2px 0.000126 -0.000153 0.000045 0.000023 0.000279 0.000468 8C 2py -0.000346 0.000377 -0.000033 -0.000060 -0.000950 -0.001309 8C 3pz -0.000042 0.000017 -0.000000 0.000037 -0.000155 -0.000707 8C 3px -0.000028 0.000093 -0.000022 -0.000015 -0.000287 0.000250 8C 3py 0.000128 -0.000135 0.000063 0.000112 -0.000048 0.000394 8C 1dz2 0.000001 -0.000000 0.000005 0.000005 0.000024 0.000014 8C 1dxz -0.000007 0.000006 0.000002 0.000002 -0.000010 -0.000013 8C 1dyz 0.000008 -0.000009 -0.000002 -0.000002 0.000037 0.000068 8C 1dx2y2 0.000009 -0.000011 0.000005 0.000002 -0.000001 0.000045 8C 1dxy 0.000008 -0.000007 -0.000001 0.000003 0.000057 0.000011 8C 2dz2 0.000027 -0.000017 -0.000022 -0.000022 0.000004 0.000085 8C 2dxz -0.000057 0.000014 -0.000015 -0.000028 -0.000186 -0.000133 8C 2dyz 0.000083 -0.000129 0.000050 0.000057 0.000190 0.000295 8C 2dx2y2 0.000061 -0.000079 -0.000007 -0.000011 0.000344 0.000330 8C 2dxy 0.000077 -0.000049 0.000016 0.000005 0.000082 0.000359 8C 1f0 -0.000002 0.000001 -0.000003 0.000002 -0.000038 -0.000062 8C 1f+1 0.000001 -0.000007 0.000005 0.000002 0.000005 -0.000003 8C 1f-1 0.000002 0.000003 -0.000005 -0.000011 -0.000005 0.000006 8C 1f+2 0.000002 0.000008 0.000002 -0.000001 -0.000071 -0.000069 8C 1f-2 -0.000010 0.000005 -0.000004 0.000002 -0.000034 -0.000071 8C 1f+3 0.000015 -0.000005 -0.000002 0.000003 0.000033 0.000063 8C 1f-3 0.000000 0.000016 0.000002 0.000002 -0.000032 -0.000028 9C 1s -0.000001 0.000001 -0.000001 -0.000003 -0.000003 -0.000000 9C 2s 0.000004 -0.000004 0.000004 0.000008 0.000012 0.000000 9C 3s 0.000040 -0.000046 0.000001 -0.000020 0.000306 0.000520 9C 4s -0.000445 0.000491 -0.000071 -0.000040 -0.002108 -0.003206 9C 5s 0.000177 -0.000376 0.000902 0.000441 0.000852 0.003073 9C 1pz -0.000003 0.000004 0.000001 -0.000001 -0.000017 -0.000025 9C 1px -0.000003 -0.000002 -0.000005 -0.000002 0.000017 0.000004 9C 1py -0.000003 0.000001 0.000004 0.000003 -0.000011 -0.000023 9C 2pz 0.000355 -0.000366 0.000076 0.000112 0.000913 0.001351 9C 2px 0.000065 -0.000078 0.000044 0.000069 0.000054 0.000201 9C 2py 0.000232 -0.000245 0.000019 0.000065 0.000637 0.000964 9C 3pz -0.000107 0.000135 -0.000186 -0.000059 -0.000071 -0.000541 9C 3px -0.000042 0.000104 0.000067 -0.000167 -0.000071 0.000616 9C 3py -0.000052 0.000093 -0.000080 -0.000101 -0.000232 -0.000366 9C 1dz2 -0.000008 0.000009 -0.000002 0.000006 -0.000006 -0.000051 9C 1dxz -0.000007 0.000005 0.000006 -0.000005 -0.000031 0.000005 9C 1dyz -0.000010 0.000012 0.000003 -0.000002 -0.000054 -0.000063 9C 1dx2y2 0.000007 -0.000007 0.000005 -0.000003 -0.000011 0.000020 9C 1dxy -0.000002 0.000000 0.000006 -0.000005 -0.000035 -0.000004 9C 2dz2 -0.000065 0.000088 -0.000018 -0.000056 -0.000252 -0.000264 9C 2dxz -0.000048 0.000000 -0.000005 0.000016 -0.000123 -0.000273 9C 2dyz -0.000110 0.000130 -0.000061 -0.000058 -0.000177 -0.000436 9C 2dx2y2 0.000042 -0.000022 -0.000029 0.000005 0.000233 0.000117 9C 2dxy -0.000035 0.000005 -0.000036 -0.000005 0.000025 -0.000109 9C 1f0 -0.000003 -0.000010 -0.000003 0.000004 0.000024 0.000018 9C 1f+1 0.000013 -0.000006 0.000001 -0.000004 0.000009 0.000039 9C 1f-1 0.000004 -0.000008 0.000001 0.000003 0.000078 0.000102 9C 1f+2 -0.000004 0.000011 0.000001 0.000001 -0.000042 -0.000057 9C 1f-2 0.000009 0.000005 0.000003 -0.000004 0.000024 0.000057 9C 1f+3 0.000005 0.000001 0.000000 0.000001 -0.000004 0.000019 9C 1f-3 0.000003 -0.000009 -0.000004 -0.000000 0.000006 0.000004 10H 1s 0.000008 -0.000006 0.000001 0.000006 -0.000017 0.000005 10H 2s 0.000008 0.000067 -0.000038 -0.000070 0.000064 -0.000232 10H 3s -0.000016 -0.000057 0.000070 0.000040 -0.000048 0.000055 10H 1pz 0.000004 0.000006 -0.000004 -0.000008 0.000044 0.000022 10H 1px -0.000004 -0.000008 0.000003 0.000002 0.000007 0.000007 10H 1py 0.000002 0.000002 -0.000004 -0.000006 0.000019 0.000012 11H 1s -0.000001 0.000003 0.000015 0.000007 0.000050 0.000034 11H 2s -0.000036 0.000011 -0.000007 0.000027 -0.000152 0.000143 11H 3s 0.000084 -0.000083 -0.000055 0.000048 -0.000630 -0.000612 11H 1pz 0.000004 -0.000006 -0.000004 0.000001 -0.000006 0.000044 11H 1px -0.000007 0.000004 0.000007 0.000008 0.000018 0.000062 11H 1py 0.000011 -0.000011 -0.000007 -0.000002 -0.000016 -0.000014 12H 1s 0.000002 -0.000000 0.000014 0.000002 0.000044 0.000010 12H 2s -0.000053 0.000004 -0.000028 -0.000001 -0.000273 0.000081 12H 3s 0.000073 -0.000050 -0.000060 0.000090 -0.000457 -0.000343 12H 1pz 0.000010 -0.000008 -0.000011 -0.000001 -0.000014 0.000020 12H 1px -0.000005 0.000002 0.000005 0.000006 0.000003 0.000050 12H 1py -0.000005 -0.000002 -0.000002 -0.000005 -0.000010 0.000041 13H 1s 0.000007 -0.000006 -0.000001 -0.000001 -0.000017 0.000012 13H 2s 0.000012 0.000071 0.000013 -0.000005 0.000063 -0.000250 13H 3s -0.000009 -0.000073 0.000021 0.000058 -0.000067 -0.000026 13H 1pz 0.000005 0.000006 0.000002 0.000002 0.000014 0.000004 13H 1px -0.000002 -0.000008 -0.000004 0.000000 0.000006 0.000006 13H 1py -0.000003 -0.000003 -0.000003 -0.000001 -0.000047 -0.000018 14H 1s 0.000002 -0.000002 -0.000001 -0.000000 0.000040 0.000003 14H 2s -0.000049 0.000000 -0.000007 0.000035 -0.000297 0.000040 14H 3s 0.000072 -0.000039 0.000062 0.000001 -0.000381 -0.000243 14H 1pz -0.000000 -0.000004 0.000002 0.000005 -0.000012 0.000007 14H 1px -0.000009 -0.000000 0.000001 0.000009 -0.000004 0.000050 14H 1py -0.000007 0.000006 -0.000003 0.000000 0.000008 -0.000033 15H 1s -0.000004 0.000003 0.000003 -0.000002 0.000050 0.000041 15H 2s -0.000028 0.000006 0.000050 0.000026 -0.000098 0.000127 15H 3s 0.000102 -0.000088 -0.000027 0.000040 -0.000654 -0.000657 15H 1pz 0.000015 -0.000012 -0.000012 -0.000005 -0.000028 -0.000040 15H 1px 0.000001 -0.000003 0.000001 0.000002 0.000008 0.000031 15H 1py -0.000004 0.000006 -0.000006 -0.000001 -0.000006 -0.000054 16H 1s 0.000017 -0.000031 -0.000004 -0.000005 -0.000049 0.000081 16H 2s -0.000048 -0.000099 0.000068 0.000061 0.000228 -0.001153 16H 3s -0.000017 0.000048 -0.000038 -0.000009 -0.000017 0.000287 16H 1pz -0.000005 -0.000010 0.000009 -0.000014 0.000062 -0.000227 16H 1px 0.000010 -0.000012 0.000007 0.000025 -0.000043 0.000087 16H 1py 0.000003 0.000002 0.000005 -0.000002 0.000008 -0.000011 17H 1s 0.000017 -0.000031 0.000000 0.000003 -0.000049 0.000081 17H 2s -0.000050 -0.000110 0.000006 0.000024 0.000223 -0.001109 17H 3s -0.000017 0.000047 0.000017 0.000009 -0.000023 0.000305 17H 1pz -0.000002 0.000016 -0.000003 -0.000013 -0.000020 0.000115 17H 1px 0.000013 0.000003 -0.000008 -0.000023 -0.000071 0.000204 17H 1py 0.000002 -0.000001 -0.000002 0.000000 0.000016 -0.000034 18H 1s 0.000030 -0.000019 -0.000003 -0.000000 0.000093 -0.000016 18H 2s 0.000110 0.000045 -0.000026 -0.000007 -0.001111 -0.000192 18H 3s -0.000046 0.000019 -0.000010 -0.000017 0.000293 0.000089 18H 1pz 0.000016 -0.000003 -0.000014 -0.000003 -0.000115 -0.000023 18H 1px 0.000003 0.000013 -0.000025 -0.000008 -0.000215 -0.000007 18H 1py 0.000000 0.000002 0.000000 -0.000002 0.000033 -0.000003 19H 1s 0.000030 -0.000019 0.000005 0.000003 0.000093 -0.000016 19H 2s 0.000102 0.000042 -0.000065 -0.000067 -0.001160 -0.000207 19H 3s -0.000047 0.000020 0.000010 0.000037 0.000273 0.000088 19H 1pz -0.000010 -0.000005 -0.000013 0.000010 0.000233 0.000025 19H 1px -0.000011 0.000011 0.000024 0.000006 -0.000099 0.000008 19H 1py 0.000002 0.000003 -0.000002 0.000005 0.000019 -0.000002 20H 1s -0.000003 0.000004 0.000002 -0.000003 0.000019 0.000061 20H 2s -0.000004 0.000029 -0.000027 -0.000049 0.000157 -0.000050 20H 3s 0.000082 -0.000107 -0.000040 0.000029 -0.000371 -0.000850 20H 1pz -0.000011 0.000015 -0.000005 -0.000011 0.000027 0.000040 20H 1px -0.000003 0.000001 0.000002 0.000001 -0.000027 -0.000019 20H 1py 0.000006 -0.000004 -0.000001 -0.000005 0.000049 0.000024 21H 1s 0.000001 -0.000002 0.000000 0.000001 -0.000012 0.000039 21H 2s 0.000002 0.000049 -0.000035 0.000008 0.000147 -0.000262 21H 3s 0.000036 -0.000075 -0.000002 -0.000061 -0.000090 -0.000454 21H 1pz -0.000004 0.000000 0.000005 0.000002 -0.000011 0.000008 21H 1px -0.000001 -0.000008 0.000009 0.000001 -0.000048 -0.000015 21H 1py 0.000006 -0.000008 -0.000000 -0.000003 0.000034 0.000004 22H 1s 0.000005 -0.000007 0.000001 0.000001 0.000017 -0.000011 22H 2s -0.000072 -0.000008 0.000005 -0.000012 -0.000255 -0.000033 22H 3s 0.000073 0.000005 -0.000058 -0.000020 0.000005 -0.000070 22H 1pz 0.000007 0.000005 0.000002 0.000001 0.000001 -0.000014 22H 1px -0.000008 -0.000002 0.000000 -0.000004 -0.000003 -0.000008 22H 1py -0.000004 -0.000003 -0.000001 -0.000003 0.000000 0.000050 23H 1s 0.000000 -0.000002 -0.000002 -0.000014 -0.000006 0.000045 23H 2s -0.000001 0.000052 0.000000 0.000026 0.000177 -0.000223 23H 3s 0.000047 -0.000076 -0.000088 0.000064 -0.000159 -0.000565 23H 1pz -0.000008 0.000010 -0.000001 -0.000011 -0.000023 0.000006 23H 1px 0.000002 -0.000005 0.000006 0.000005 -0.000045 -0.000021 23H 1py -0.000003 -0.000005 -0.000004 -0.000002 -0.000043 -0.000005 24H 1s -0.000003 0.000001 -0.000007 -0.000015 0.000013 0.000059 24H 2s -0.000009 0.000037 -0.000027 0.000009 0.000191 -0.000098 24H 3s 0.000077 -0.000088 -0.000048 0.000056 -0.000335 -0.000806 24H 1pz -0.000006 0.000005 0.000001 -0.000004 -0.000043 -0.000010 24H 1px 0.000004 -0.000007 0.000008 0.000006 -0.000053 -0.000039 24H 1py -0.000010 0.000012 -0.000002 -0.000006 0.000005 0.000019 25H 1s 0.000006 -0.000008 -0.000006 -0.000001 0.000010 -0.000013 25H 2s -0.000068 -0.000004 0.000071 0.000036 -0.000237 -0.000025 25H 3s 0.000058 0.000014 -0.000044 -0.000069 0.000073 -0.000024 25H 1pz 0.000006 0.000003 -0.000008 -0.000004 -0.000005 -0.000048 25H 1px -0.000008 -0.000003 0.000002 0.000003 -0.000004 -0.000010 25H 1py 0.000002 0.000002 -0.000006 -0.000003 -0.000005 -0.000022 26O 1s 0.000001 0.000003 -0.000001 -0.000006 0.000005 0.000004 26O 2s -0.000004 -0.000010 0.000003 0.000022 -0.000032 -0.000022 26O 3s 0.000028 0.000101 -0.000024 -0.000147 0.000363 0.000270 26O 4s -0.000044 -0.000404 0.000026 0.000235 -0.001105 -0.001779 26O 5s 0.000276 -0.000133 0.000353 0.001436 -0.001280 0.006682 26O 1pz 0.000007 -0.000014 0.000002 -0.000028 0.000041 -0.000039 26O 1px -0.000001 0.000010 -0.000000 0.000017 -0.000053 0.000043 26O 1py 0.000004 -0.000005 -0.000001 -0.000021 0.000005 -0.000008 26O 2pz -0.000058 0.000069 0.000007 -0.000039 -0.000077 -0.000020 26O 2px 0.000001 0.000062 -0.000014 -0.000306 0.000624 -0.000265 26O 2py -0.000034 0.000066 0.000010 -0.000104 0.000184 -0.000105 26O 3pz -0.000191 0.000310 -0.000027 0.000387 -0.000330 0.003241 26O 3px -0.000449 0.000741 -0.000257 -0.000736 0.000883 0.000035 26O 3py -0.000282 0.000454 -0.000153 -0.000164 0.000135 0.001898 26O 1dz2 0.000001 -0.000014 0.000005 -0.000031 0.000021 -0.000035 26O 1dxz 0.000009 0.000018 -0.000004 0.000000 -0.000022 -0.000021 26O 1dyz -0.000002 -0.000005 0.000003 -0.000066 0.000021 -0.000083 26O 1dx2y2 -0.000009 0.000000 -0.000005 0.000004 0.000003 -0.000002 26O 1dxy -0.000001 0.000013 -0.000004 -0.000020 -0.000009 -0.000037 26O 2dz2 -0.000017 0.000058 -0.000021 0.000045 0.000021 0.000172 26O 2dxz -0.000019 -0.000084 -0.000002 0.000015 0.000053 0.000109 26O 2dyz -0.000005 -0.000004 -0.000012 0.000210 -0.000091 0.000375 26O 2dx2y2 0.000033 -0.000012 0.000030 0.000049 -0.000134 -0.000029 26O 2dxy 0.000011 -0.000076 0.000016 0.000128 -0.000095 0.000156 26O 1f0 -0.000001 -0.000006 -0.000004 0.000002 -0.000004 -0.000003 26O 1f+1 -0.000003 -0.000008 0.000006 0.000018 -0.000011 0.000027 26O 1f-1 0.000004 0.000005 0.000001 0.000056 -0.000012 0.000028 26O 1f+2 0.000001 0.000011 0.000003 -0.000031 0.000001 -0.000019 26O 1f-2 0.000000 0.000002 0.000007 0.000017 0.000005 0.000028 26O 1f+3 0.000002 0.000006 0.000006 0.000012 -0.000011 0.000009 26O 1f-3 -0.000002 -0.000007 0.000002 0.000016 -0.000019 0.000007 27O 1s 0.000001 0.000003 -0.000000 -0.000002 0.000005 0.000003 27O 2s -0.000004 -0.000010 0.000001 0.000007 -0.000034 -0.000018 27O 3s 0.000024 0.000102 -0.000007 -0.000049 0.000382 0.000243 27O 4s -0.000022 -0.000390 0.000006 0.000087 -0.001191 -0.001691 27O 5s 0.000303 -0.000455 0.000140 0.000431 -0.001415 0.006215 27O 1pz 0.000004 -0.000010 0.000005 0.000015 0.000033 -0.000034 27O 1px 0.000002 0.000003 0.000001 0.000007 -0.000052 0.000028 27O 1py -0.000007 0.000012 0.000003 0.000023 -0.000033 0.000038 27O 2pz -0.000033 0.000040 -0.000025 -0.000064 -0.000132 0.000040 27O 2px -0.000027 0.000138 -0.000011 -0.000114 0.000703 -0.000191 27O 2py 0.000062 -0.000091 -0.000020 -0.000029 -0.000010 0.000016 27O 3pz -0.000042 0.000003 0.000106 0.000366 -0.000375 0.001758 27O 3px -0.000490 0.000841 -0.000081 -0.000212 0.000861 0.000329 27O 3py 0.000209 -0.000303 0.000078 0.000137 0.000231 -0.002815 27O 1dz2 0.000003 -0.000006 -0.000003 0.000013 0.000000 0.000035 27O 1dxz 0.000009 0.000010 -0.000003 0.000007 -0.000012 -0.000016 27O 1dyz 0.000006 0.000008 0.000001 0.000014 -0.000029 0.000076 27O 1dx2y2 -0.000005 0.000013 -0.000005 0.000013 -0.000014 0.000018 27O 1dxy -0.000007 -0.000018 -0.000000 0.000013 0.000013 0.000048 27O 2dz2 -0.000014 0.000049 0.000004 -0.000048 0.000106 -0.000128 27O 2dxz -0.000025 -0.000044 0.000009 -0.000027 0.000070 0.000099 27O 2dyz -0.000003 -0.000019 -0.000005 -0.000044 0.000103 -0.000335 27O 2dx2y2 0.000031 -0.000074 0.000022 -0.000008 -0.000120 -0.000125 27O 2dxy 0.000014 0.000101 0.000006 -0.000054 0.000025 -0.000223 27O 1f0 -0.000004 -0.000009 -0.000000 -0.000015 0.000010 -0.000017 27O 1f+1 -0.000002 -0.000007 0.000001 -0.000001 -0.000015 0.000002 27O 1f-1 -0.000001 0.000001 -0.000002 0.000011 0.000007 0.000002 27O 1f+2 -0.000003 0.000002 0.000001 -0.000007 -0.000001 -0.000015 27O 1f-2 0.000001 0.000010 -0.000001 -0.000007 -0.000001 -0.000033 27O 1f+3 -0.000001 -0.000005 0.000003 0.000011 -0.000017 0.000034 27O 1f-3 0.000001 0.000012 0.000002 -0.000014 0.000014 -0.000002 28O 1s -0.000002 -0.000001 -0.000006 -0.000000 0.000001 0.000006 28O 2s 0.000009 0.000003 0.000021 0.000002 -0.000006 -0.000038 28O 3s -0.000097 -0.000014 -0.000142 -0.000018 0.000115 0.000440 28O 4s 0.000373 -0.000018 0.000220 0.000031 -0.001254 -0.001692 28O 5s 0.000447 -0.000366 0.001350 0.000369 0.005845 0.000859 28O 1pz 0.000007 -0.000007 -0.000016 0.000003 -0.000022 -0.000002 28O 1px 0.000009 -0.000001 -0.000019 0.000002 -0.000057 0.000048 28O 1py 0.000009 -0.000005 -0.000028 0.000001 -0.000037 0.000018 28O 2pz -0.000129 0.000078 -0.000207 -0.000013 -0.000153 0.000260 28O 2px 0.000078 -0.000011 0.000233 0.000014 0.000296 -0.000547 28O 2py -0.000052 0.000044 -0.000002 0.000006 0.000018 -0.000054 28O 3pz -0.000598 0.000431 -0.000046 -0.000206 0.002385 0.001081 28O 3px 0.000575 -0.000377 0.000784 0.000217 0.001265 -0.000401 28O 3py -0.000164 0.000127 0.000144 -0.000074 0.002060 0.000575 28O 1dz2 -0.000012 -0.000006 -0.000025 -0.000001 -0.000034 -0.000020 28O 1dxz 0.000019 -0.000001 -0.000008 0.000009 -0.000005 0.000020 28O 1dyz 0.000001 0.000001 -0.000067 0.000005 -0.000086 -0.000015 28O 1dx2y2 0.000000 0.000009 0.000002 -0.000004 0.000000 0.000006 28O 1dxy 0.000015 0.000008 -0.000022 0.000004 -0.000028 0.000015 28O 2dz2 0.000063 0.000016 0.000085 -0.000004 0.000173 0.000081 28O 2dxz -0.000108 0.000027 -0.000060 -0.000035 0.000004 0.000105 28O 2dyz 0.000019 0.000005 0.000211 -0.000020 0.000379 0.000060 28O 2dx2y2 0.000012 -0.000036 0.000050 0.000026 -0.000009 -0.000144 28O 2dxy -0.000063 -0.000011 0.000055 -0.000006 0.000104 -0.000036 28O 1f0 0.000004 0.000001 0.000010 0.000006 0.000017 -0.000002 28O 1f+1 0.000013 0.000001 0.000012 -0.000004 0.000006 -0.000009 28O 1f-1 -0.000001 -0.000003 0.000052 0.000002 0.000041 0.000015 28O 1f+2 -0.000004 -0.000000 -0.000042 -0.000003 -0.000032 0.000011 28O 1f-2 -0.000001 -0.000003 0.000018 -0.000006 0.000000 -0.000010 28O 1f+3 0.000001 -0.000001 0.000002 -0.000005 -0.000005 0.000008 28O 1f-3 0.000013 0.000003 0.000007 -0.000001 0.000008 0.000006 29O 1s -0.000002 0.000009 -0.000000 -0.000001 0.000007 0.000005 29O 2s 0.000007 -0.000029 0.000001 0.000002 -0.000041 -0.000028 29O 3s -0.000042 0.000171 -0.000002 -0.000013 0.000364 0.000229 29O 4s 0.000096 -0.000626 0.000012 0.000049 -0.001051 -0.001032 29O 5s -0.000181 0.001668 -0.000084 -0.000160 0.001856 0.003112 29O 1pz -0.000006 0.000010 0.000001 0.000009 0.000023 0.000011 29O 1px 0.000015 -0.000023 0.000002 0.000005 -0.000065 -0.000016 29O 1py -0.000000 0.000009 0.000001 0.000002 -0.000010 0.000037 29O 2pz 0.000015 -0.000022 -0.000001 -0.000054 -0.000058 -0.000165 29O 2px -0.000034 0.000052 -0.000013 -0.000028 0.000181 0.000366 29O 2py -0.000002 -0.000040 0.000002 -0.000004 0.000086 -0.000265 29O 3pz -0.000023 0.000203 0.000075 0.000182 0.000252 0.000303 29O 3px 0.000052 -0.000602 0.000041 0.000074 -0.000709 -0.001175 29O 3py -0.000032 -0.000148 0.000045 0.000085 -0.000005 -0.000782 29O 1dz2 0.000006 -0.000013 -0.000000 -0.000000 -0.000014 0.000013 29O 1dxz 0.000010 -0.000014 0.000001 0.000004 -0.000022 0.000031 29O 1dyz 0.000002 -0.000003 0.000002 0.000003 -0.000005 0.000007 29O 1dx2y2 -0.000015 0.000016 0.000000 -0.000001 0.000033 -0.000066 29O 1dxy -0.000006 0.000013 0.000001 0.000001 0.000015 -0.000018 29O 2dz2 -0.000018 0.000025 -0.000004 0.000009 0.000024 0.000041 29O 2dxz -0.000028 0.000020 -0.000004 -0.000017 0.000051 -0.000030 29O 2dyz -0.000007 0.000005 -0.000007 0.000002 0.000013 -0.000005 29O 2dx2y2 0.000043 -0.000012 -0.000000 -0.000000 -0.000096 0.000168 29O 2dxy 0.000017 -0.000033 -0.000001 0.000001 -0.000031 -0.000016 29O 1f0 -0.000003 0.000002 0.000002 0.000002 0.000012 -0.000026 29O 1f+1 0.000002 -0.000004 -0.000001 -0.000003 -0.000006 0.000005 29O 1f-1 0.000000 -0.000011 0.000002 0.000000 0.000005 -0.000042 29O 1f+2 0.000006 -0.000011 0.000000 0.000004 -0.000017 0.000018 29O 1f-2 0.000002 -0.000010 -0.000001 -0.000001 -0.000000 -0.000024 29O 1f+3 0.000008 -0.000013 -0.000001 -0.000003 -0.000025 0.000035 29O 1f-3 0.000002 -0.000005 0.000001 0.000001 -0.000007 0.000008 30O 1s -0.000003 -0.000001 -0.000002 -0.000000 0.000002 0.000006 30O 2s 0.000009 0.000003 0.000006 0.000000 -0.000009 -0.000038 30O 3s -0.000096 -0.000018 -0.000037 -0.000003 0.000135 0.000428 30O 4s 0.000388 0.000002 0.000044 -0.000002 -0.001332 -0.001622 30O 5s 0.000152 -0.000351 0.000402 0.000094 0.006561 0.001253 30O 1pz 0.000003 -0.000004 0.000018 0.000004 -0.000004 -0.000002 30O 1px 0.000015 -0.000004 -0.000004 0.000002 -0.000071 0.000047 30O 1py -0.000007 0.000007 0.000022 0.000003 0.000018 -0.000012 30O 2pz -0.000062 0.000042 -0.000113 -0.000024 -0.000190 0.000167 30O 2px 0.000022 0.000016 0.000050 -0.000003 0.000354 -0.000463 30O 2py 0.000082 -0.000065 -0.000008 -0.000019 0.000187 -0.000112 30O 3pz -0.000520 0.000353 0.000251 0.000040 0.001583 0.000925 30O 3px 0.000413 -0.000315 0.000266 0.000052 0.001912 -0.000114 30O 3py 0.000584 -0.000409 0.000177 0.000119 -0.002721 -0.001174 30O 1dz2 -0.000007 -0.000007 0.000019 -0.000006 0.000021 -0.000009 30O 1dxz 0.000011 -0.000004 -0.000004 0.000001 -0.000009 0.000008 30O 1dyz 0.000002 -0.000002 0.000014 0.000002 0.000085 0.000023 30O 1dx2y2 0.000011 0.000010 0.000012 -0.000003 0.000021 0.000020 30O 1dxy -0.000021 -0.000001 0.000007 -0.000002 0.000035 -0.000017 30O 2dz2 0.000024 0.000015 -0.000058 0.000018 -0.000090 0.000058 30O 2dxz -0.000055 0.000028 0.000002 -0.000008 0.000018 0.000094 30O 2dyz -0.000044 0.000007 -0.000056 -0.000006 -0.000396 -0.000028 30O 2dx2y2 -0.000052 -0.000032 -0.000025 0.000014 -0.000114 -0.000143 30O 2dxy 0.000090 -0.000021 -0.000000 0.000005 -0.000123 -0.000061 30O 1f0 0.000005 0.000003 -0.000007 0.000000 -0.000011 -0.000015 30O 1f+1 0.000011 0.000002 -0.000010 0.000001 0.000006 0.000005 30O 1f-1 0.000001 -0.000000 0.000008 -0.000003 -0.000012 -0.000008 30O 1f+2 0.000007 0.000002 -0.000013 -0.000001 -0.000038 -0.000005 30O 1f-2 -0.000001 0.000001 -0.000005 -0.000001 -0.000021 0.000016 30O 1f+3 0.000009 0.000000 0.000015 -0.000003 0.000013 0.000004 30O 1f-3 -0.000008 -0.000002 -0.000013 -0.000001 -0.000030 0.000000 31O 1s 0.000001 0.000003 0.000000 0.000002 0.000005 0.000004 31O 2s -0.000004 -0.000009 -0.000000 -0.000006 -0.000032 -0.000022 31O 3s 0.000023 0.000095 0.000004 0.000037 0.000350 0.000284 31O 4s -0.000024 -0.000389 0.000001 -0.000043 -0.001027 -0.001841 31O 5s 0.000339 -0.000174 -0.000103 -0.000397 -0.001202 0.006546 31O 1pz -0.000003 0.000003 0.000005 0.000018 0.000000 0.000004 31O 1px -0.000003 0.000015 0.000001 -0.000004 -0.000069 0.000049 31O 1py 0.000006 -0.000007 0.000003 0.000022 0.000017 -0.000012 31O 2pz 0.000038 -0.000064 -0.000027 -0.000112 -0.000224 0.000114 31O 2px 0.000018 0.000021 -0.000002 0.000050 0.000559 -0.000157 31O 2py -0.000060 0.000086 -0.000020 -0.000008 0.000172 -0.000131 31O 3pz 0.000323 -0.000541 0.000048 0.000251 -0.000284 -0.001826 31O 3px -0.000290 0.000432 0.000058 0.000263 0.000797 -0.001729 31O 3py -0.000375 0.000607 0.000123 0.000172 0.000100 0.002980 31O 1dz2 0.000007 0.000007 0.000005 -0.000019 -0.000016 0.000016 31O 1dxz 0.000003 -0.000011 -0.000001 0.000004 0.000011 -0.000006 31O 1dyz 0.000002 -0.000003 -0.000003 -0.000014 -0.000010 0.000087 31O 1dx2y2 -0.000011 -0.000011 0.000003 -0.000012 0.000011 0.000027 31O 1dxy 0.000002 0.000021 0.000002 -0.000007 -0.000029 0.000027 31O 2dz2 -0.000016 -0.000023 -0.000016 0.000059 0.000087 -0.000062 31O 2dxz -0.000024 0.000056 0.000008 -0.000003 0.000081 0.000054 31O 2dyz -0.000004 0.000044 0.000008 0.000056 0.000117 -0.000377 31O 2dx2y2 0.000035 0.000050 -0.000014 0.000026 -0.000092 -0.000159 31O 2dxy 0.000016 -0.000092 -0.000005 0.000001 -0.000012 -0.000140 31O 1f0 0.000003 0.000005 0.000000 -0.000007 0.000010 0.000015 31O 1f+1 0.000002 0.000011 0.000001 -0.000010 -0.000002 -0.000007 31O 1f-1 -0.000000 0.000001 -0.000002 0.000008 0.000003 0.000015 31O 1f+2 0.000003 0.000007 -0.000002 -0.000013 -0.000009 0.000037 31O 1f-2 0.000001 -0.000001 -0.000001 -0.000005 -0.000023 0.000014 31O 1f+3 0.000001 0.000009 -0.000003 0.000015 0.000001 -0.000013 31O 1f-3 -0.000002 -0.000008 -0.000001 -0.000012 -0.000011 0.000027 32O 1s -0.000008 0.000003 0.000001 0.000000 0.000002 0.000008 32O 2s 0.000029 -0.000009 -0.000002 -0.000001 -0.000011 -0.000049 32O 3s -0.000168 0.000052 0.000012 0.000002 0.000081 0.000422 32O 4s 0.000620 -0.000132 -0.000047 -0.000011 -0.000581 -0.001354 32O 5s -0.001654 0.000274 0.000163 0.000082 0.002225 0.002856 32O 1pz 0.000009 -0.000006 0.000009 0.000001 -0.000001 -0.000025 32O 1px -0.000022 0.000016 0.000005 0.000002 -0.000009 0.000067 32O 1py 0.000009 -0.000001 0.000002 0.000000 -0.000038 -0.000004 32O 2pz -0.000020 0.000016 -0.000054 -0.000000 0.000127 0.000114 32O 2px 0.000050 -0.000036 -0.000028 -0.000013 -0.000277 -0.000301 32O 2py -0.000040 0.000000 -0.000004 0.000003 0.000278 0.000016 32O 3pz 0.000201 -0.000033 0.000184 0.000070 -0.000199 -0.000346 32O 3px -0.000598 0.000086 0.000073 0.000039 0.000835 0.001087 32O 3py -0.000149 -0.000024 0.000088 0.000043 0.000728 0.000288 32O 1dz2 0.000013 -0.000007 0.000000 0.000000 0.000018 -0.000008 32O 1dxz 0.000014 -0.000011 -0.000004 -0.000001 0.000036 -0.000009 32O 1dyz 0.000003 -0.000002 -0.000003 -0.000002 0.000008 -0.000002 32O 1dx2y2 -0.000015 0.000016 0.000001 -0.000000 -0.000074 0.000007 32O 1dxy -0.000012 0.000007 -0.000001 -0.000001 -0.000023 0.000007 32O 2dz2 -0.000024 0.000019 -0.000008 0.000004 0.000029 0.000037 32O 2dxz -0.000019 0.000029 0.000018 0.000003 -0.000046 0.000037 32O 2dyz -0.000006 0.000007 -0.000002 0.000007 -0.000003 0.000012 32O 2dx2y2 0.000009 -0.000044 0.000000 -0.000000 0.000192 -0.000029 32O 2dxy 0.000032 -0.000018 -0.000001 0.000001 -0.000001 -0.000034 32O 1f0 0.000003 -0.000003 0.000002 0.000002 0.000027 -0.000002 32O 1f+1 -0.000004 0.000002 -0.000003 -0.000001 -0.000009 0.000004 32O 1f-1 -0.000011 0.000001 0.000001 0.000002 0.000042 0.000011 32O 1f+2 -0.000010 0.000006 0.000004 0.000000 -0.000025 0.000009 32O 1f-2 -0.000010 0.000002 -0.000001 -0.000001 0.000022 0.000009 32O 1f+3 -0.000013 0.000009 -0.000003 -0.000001 -0.000041 0.000010 32O 1f-3 -0.000005 0.000003 0.000001 0.000001 -0.000010 0.000003 33O 1s 0.000001 0.000002 0.000001 0.000006 0.000005 0.000003 33O 2s -0.000003 -0.000009 -0.000002 -0.000021 -0.000033 -0.000019 33O 3s 0.000020 0.000096 0.000022 0.000142 0.000368 0.000268 33O 4s -0.000003 -0.000374 -0.000037 -0.000218 -0.001119 -0.001787 33O 5s 0.000342 -0.000469 -0.000407 -0.001338 -0.001329 0.005743 33O 1pz -0.000007 0.000008 0.000003 -0.000016 -0.000006 0.000021 33O 1px -0.000000 0.000009 0.000001 -0.000019 -0.000066 0.000036 33O 1py -0.000004 0.000009 0.000001 -0.000028 -0.000030 0.000027 33O 2pz 0.000071 -0.000134 -0.000019 -0.000206 -0.000298 0.000047 33O 2px -0.000007 0.000079 0.000021 0.000233 0.000618 -0.000075 33O 2py 0.000041 -0.000054 0.000006 -0.000003 0.000055 0.000004 33O 3pz 0.000396 -0.000620 -0.000207 -0.000037 -0.000137 -0.002622 33O 3px -0.000344 0.000596 0.000238 0.000776 0.000834 -0.001024 33O 3py 0.000118 -0.000172 -0.000071 0.000147 0.000216 -0.002136 33O 1dz2 0.000006 0.000012 0.000002 0.000025 -0.000007 -0.000039 33O 1dxz -0.000000 -0.000019 -0.000008 0.000008 0.000021 0.000002 33O 1dyz -0.000001 -0.000001 -0.000004 0.000067 0.000018 -0.000085 33O 1dx2y2 -0.000009 0.000000 0.000004 -0.000002 0.000005 0.000002 33O 1dxy -0.000009 -0.000015 -0.000004 0.000022 0.000025 -0.000021 33O 2dz2 -0.000020 -0.000062 0.000002 -0.000085 0.000013 0.000190 33O 2dxz -0.000021 0.000109 0.000036 0.000059 0.000096 0.000043 33O 2dyz -0.000006 -0.000019 0.000014 -0.000212 -0.000082 0.000374 33O 2dx2y2 0.000035 -0.000014 -0.000027 -0.000049 -0.000131 -0.000061 33O 2dxy 0.000015 0.000062 0.000004 -0.000055 -0.000071 0.000085 33O 1f0 0.000001 0.000004 0.000006 0.000010 0.000008 -0.000015 33O 1f+1 0.000002 0.000013 -0.000004 0.000012 0.000011 -0.000002 33O 1f-1 -0.000003 -0.000001 0.000003 0.000052 0.000001 -0.000044 33O 1f+2 -0.000000 -0.000004 -0.000004 -0.000041 -0.000022 0.000026 33O 1f-2 -0.000003 -0.000001 -0.000005 0.000019 0.000009 0.000003 33O 1f+3 -0.000001 0.000001 -0.000005 0.000002 -0.000010 0.000002 33O 1f-3 0.000003 0.000013 -0.000001 0.000007 -0.000003 -0.000010 34O 1s -0.000003 -0.000001 0.000002 0.000000 0.000001 0.000006 34O 2s 0.000010 0.000003 -0.000007 -0.000001 -0.000005 -0.000038 34O 3s -0.000104 -0.000018 0.000049 0.000006 0.000090 0.000445 34O 4s 0.000392 0.000001 -0.000087 -0.000003 -0.001149 -0.001728 34O 5s 0.000437 -0.000329 -0.000432 -0.000129 0.006310 0.000937 34O 1pz -0.000009 0.000004 0.000015 0.000005 0.000044 -0.000018 34O 1px 0.000003 0.000002 0.000007 0.000001 -0.000045 0.000039 34O 1py 0.000012 -0.000007 0.000023 0.000002 -0.000047 0.000017 34O 2pz 0.000037 -0.000036 -0.000065 -0.000023 -0.000084 0.000108 34O 2px 0.000137 -0.000035 -0.000114 -0.000008 0.000434 -0.000587 34O 2py -0.000087 0.000067 -0.000030 -0.000020 -0.000020 0.000005 34O 3pz 0.000001 -0.000042 0.000369 0.000097 -0.001777 -0.000287 34O 3px 0.000814 -0.000536 -0.000212 -0.000075 -0.000001 -0.000923 34O 3py -0.000291 0.000225 0.000138 0.000074 0.002713 0.000803 34O 1dz2 0.000005 -0.000003 -0.000012 0.000003 0.000033 0.000013 34O 1dxz -0.000011 -0.000008 -0.000007 0.000003 -0.000010 -0.000017 34O 1dyz -0.000008 -0.000006 -0.000014 -0.000001 0.000081 0.000001 34O 1dx2y2 -0.000013 0.000005 -0.000013 0.000006 0.000022 -0.000006 34O 1dxy 0.000019 0.000006 -0.000013 0.000001 0.000040 0.000030 34O 2dz2 -0.000048 0.000017 0.000048 -0.000006 -0.000158 0.000052 34O 2dxz 0.000046 0.000023 0.000027 -0.000010 0.000067 0.000101 34O 2dyz 0.000019 0.000002 0.000044 0.000004 -0.000349 -0.000025 34O 2dx2y2 0.000072 -0.000035 0.000007 -0.000022 -0.000074 -0.000157 34O 2dxy -0.000102 -0.000008 0.000054 -0.000007 -0.000217 -0.000057 34O 1f0 -0.000009 -0.000004 -0.000015 0.000000 0.000019 -0.000003 34O 1f+1 -0.000007 -0.000001 -0.000001 0.000001 -0.000008 0.000013 34O 1f-1 0.000001 -0.000002 0.000011 -0.000002 0.000000 -0.000007 34O 1f+2 0.000002 -0.000003 -0.000007 0.000002 0.000014 0.000006 34O 1f-2 0.000010 0.000001 -0.000007 -0.000001 0.000030 0.000013 34O 1f+3 -0.000005 -0.000001 0.000011 0.000003 -0.000038 0.000003 34O 1f-3 0.000012 0.000000 -0.000014 0.000003 0.000007 -0.000012 35O 1s -0.000003 -0.000001 0.000006 0.000001 0.000001 0.000006 35O 2s 0.000010 0.000003 -0.000022 -0.000002 -0.000009 -0.000038 35O 3s -0.000103 -0.000022 0.000148 0.000020 0.000122 0.000437 35O 4s 0.000406 0.000022 -0.000236 -0.000019 -0.001261 -0.001676 35O 5s 0.000122 -0.000281 -0.001445 -0.000315 0.006666 0.001224 35O 1pz -0.000014 0.000008 -0.000028 0.000002 0.000051 -0.000024 35O 1px 0.000010 -0.000002 0.000017 -0.000001 -0.000059 0.000033 35O 1py -0.000004 0.000004 -0.000021 -0.000001 0.000010 -0.000002 35O 2pz 0.000066 -0.000062 -0.000038 0.000008 -0.000010 0.000078 35O 2px 0.000063 -0.000002 -0.000306 -0.000006 0.000470 -0.000486 35O 2py 0.000065 -0.000037 -0.000104 0.000013 0.000163 -0.000135 35O 3pz 0.000298 -0.000208 0.000386 -0.000038 -0.003141 -0.000864 35O 3px 0.000716 -0.000489 -0.000742 -0.000237 0.000276 -0.000838 35O 3py 0.000438 -0.000308 -0.000168 -0.000149 -0.001729 -0.000814 35O 1dz2 0.000014 -0.000001 0.000030 -0.000006 -0.000041 0.000007 35O 1dxz -0.000018 -0.000008 -0.000000 0.000004 -0.000011 -0.000028 35O 1dyz 0.000005 0.000002 0.000066 -0.000005 -0.000084 -0.000011 35O 1dx2y2 0.000000 0.000009 -0.000004 0.000005 -0.000003 0.000002 35O 1dxy -0.000013 0.000002 0.000020 0.000004 -0.000032 -0.000022 35O 2dz2 -0.000057 0.000020 -0.000044 0.000022 0.000154 0.000082 35O 2dxz 0.000085 0.000014 -0.000014 0.000002 0.000081 0.000089 35O 2dyz 0.000004 0.000005 -0.000209 0.000018 0.000382 0.000052 35O 2dx2y2 0.000010 -0.000034 -0.000050 -0.000029 0.000020 -0.000135 35O 2dxy 0.000076 -0.000015 -0.000129 -0.000012 0.000178 -0.000032 35O 1f0 -0.000006 -0.000000 0.000002 -0.000004 0.000001 0.000004 35O 1f+1 -0.000008 -0.000002 0.000019 0.000006 -0.000029 0.000001 35O 1f-1 0.000006 0.000004 0.000056 -0.000001 -0.000031 0.000001 35O 1f+2 0.000011 0.000000 -0.000031 0.000004 0.000018 0.000005 35O 1f-2 0.000002 0.000000 0.000017 0.000006 -0.000024 -0.000015 35O 1f+3 0.000006 0.000001 0.000012 0.000006 -0.000012 0.000007 35O 1f-3 -0.000007 -0.000002 0.000016 0.000002 -0.000013 0.000016 12 13 14 15 16 17 -19.07548 -19.07543 -19.06739 -19.06735 -19.06651 -19.06650 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s -0.000002 0.000004 -0.000001 -0.000003 -0.000000 -0.000003 0Rh 2s -0.000021 0.000046 -0.000008 -0.000036 -0.000003 -0.000037 0Rh 3s -0.000025 0.000056 -0.000009 -0.000044 -0.000002 -0.000044 0Rh 4s 0.000088 -0.000185 0.000027 0.000143 0.000005 0.000146 0Rh 5s -0.000201 0.000342 -0.000016 -0.000252 0.000022 -0.000256 0Rh 6s 0.000415 -0.000514 0.000021 0.000356 -0.000032 0.000362 0Rh 7s -0.001195 0.002976 -0.000191 -0.001307 -0.000106 -0.001233 0Rh 8s 0.002081 0.000734 0.000060 -0.000245 0.000285 -0.000321 0Rh 1pz -0.000003 0.000001 -0.000005 0.000001 -0.000003 0.000000 0Rh 1px 0.000009 -0.000002 0.000001 -0.000001 -0.000000 -0.000001 0Rh 1py 0.000001 -0.000001 -0.000003 0.000000 0.000005 -0.000000 0Rh 2pz 0.000015 -0.000003 0.000025 -0.000003 0.000016 -0.000001 0Rh 2px -0.000042 0.000012 -0.000005 0.000004 0.000001 0.000004 0Rh 2py -0.000002 0.000004 0.000014 -0.000000 -0.000023 0.000000 0Rh 3pz -0.000084 0.000016 -0.000142 0.000019 -0.000093 0.000007 0Rh 3px 0.000231 -0.000068 0.000030 -0.000028 -0.000006 -0.000024 0Rh 3py 0.000012 -0.000022 -0.000080 0.000002 0.000129 -0.000004 0Rh 4pz 0.000199 -0.000038 0.000287 -0.000044 0.000188 -0.000018 0Rh 4px -0.000543 0.000161 -0.000086 0.000074 -0.000010 0.000064 0Rh 4py -0.000021 0.000054 0.000153 -0.000001 -0.000254 0.000008 0Rh 5pz -0.000332 0.000032 -0.000203 0.000040 -0.000141 0.000018 0Rh 5px 0.000902 -0.000168 0.000196 -0.000113 0.000118 -0.000098 0Rh 5py 0.000024 -0.000073 -0.000065 -0.000016 0.000148 -0.000001 0Rh 6pz 0.002733 0.000991 0.003381 -0.000324 0.002170 -0.000038 0Rh 6px -0.007493 -0.003149 -0.001373 0.000584 -0.000492 0.000349 0Rh 6py -0.000456 -0.000506 0.001668 0.000079 -0.002827 0.000098 0Rh 1dz2 -0.000002 -0.000000 -0.000001 -0.000002 0.000000 0.000002 0Rh 1dxz -0.000003 -0.000001 -0.000001 0.000001 -0.000001 -0.000000 0Rh 1dyz -0.000001 0.000000 -0.000003 -0.000005 0.000001 0.000005 0Rh 1dx2y2 0.000004 0.000001 0.000000 -0.000000 0.000001 0.000002 0Rh 1dxy 0.000004 -0.000000 -0.000001 -0.000001 0.000002 0.000001 0Rh 2dz2 0.000010 0.000002 0.000001 0.000012 0.000001 -0.000007 0Rh 2dxz 0.000012 0.000004 0.000006 -0.000003 0.000005 -0.000000 0Rh 2dyz 0.000006 0.000000 0.000006 0.000022 -0.000001 -0.000024 0Rh 2dx2y2 -0.000020 -0.000006 -0.000002 0.000001 -0.000003 -0.000007 0Rh 2dxy -0.000017 0.000000 0.000002 0.000006 -0.000006 -0.000005 0Rh 3dz2 -0.000029 -0.000006 0.000008 -0.000033 -0.000006 0.000021 0Rh 3dxz -0.000034 -0.000009 -0.000012 0.000006 -0.000010 0.000000 0Rh 3dyz -0.000018 0.000000 0.000001 -0.000063 -0.000013 0.000065 0Rh 3dx2y2 0.000057 0.000016 -0.000000 -0.000002 0.000001 0.000020 0Rh 3dxy 0.000049 -0.000002 -0.000001 -0.000017 0.000008 0.000015 0Rh 4dz2 0.000065 0.000011 -0.000070 0.000072 0.000031 -0.000049 0Rh 4dxz 0.000074 0.000019 -0.000008 0.000002 -0.000014 0.000007 0Rh 4dyz 0.000037 -0.000000 -0.000099 0.000146 0.000109 -0.000141 0Rh 4dx2y2 -0.000121 -0.000033 0.000029 -0.000000 0.000050 -0.000042 0Rh 4dxy -0.000105 0.000005 -0.000023 0.000046 0.000042 -0.000046 0Rh 5dz2 -0.000103 -0.000080 0.000039 -0.000226 -0.000048 0.000163 0Rh 5dxz -0.000093 -0.000113 0.000047 -0.000183 0.000025 -0.000157 0Rh 5dyz -0.000062 -0.000017 0.000054 -0.000511 -0.000072 0.000434 0Rh 5dx2y2 0.000159 0.000179 -0.000044 0.000084 -0.000007 0.000175 0Rh 5dxy 0.000199 0.000033 0.000041 -0.000210 -0.000075 0.000319 0Rh 1f0 -0.000030 -0.000005 0.000002 -0.000003 0.000008 0.000002 0Rh 1f+1 0.000023 0.000004 -0.000007 -0.000011 0.000001 -0.000002 0Rh 1f-1 0.000008 0.000001 -0.000012 -0.000008 -0.000001 -0.000001 0Rh 1f+2 0.000043 0.000008 0.000008 0.000013 0.000003 0.000007 0Rh 1f-2 0.000013 0.000003 -0.000011 -0.000009 0.000011 0.000017 0Rh 1f+3 0.000049 0.000009 -0.000004 0.000001 -0.000011 -0.000011 0Rh 1f-3 0.000021 0.000004 -0.000000 -0.000002 -0.000003 0.000005 1Rh 1s -0.000004 0.000002 -0.000003 -0.000001 -0.000003 -0.000001 1Rh 2s -0.000045 0.000024 -0.000036 -0.000009 -0.000036 -0.000008 1Rh 3s -0.000054 0.000028 -0.000043 -0.000010 -0.000044 -0.000008 1Rh 4s 0.000179 -0.000101 0.000142 0.000031 0.000144 0.000025 1Rh 5s -0.000327 0.000224 -0.000252 -0.000023 -0.000257 -0.000013 1Rh 6s 0.000485 -0.000450 0.000356 0.000032 0.000362 0.000018 1Rh 7s -0.002887 0.001398 -0.001302 -0.000232 -0.001205 -0.000276 1Rh 8s -0.000875 -0.002028 -0.000246 0.000065 -0.000352 0.000252 1Rh 1pz 0.000000 -0.000003 -0.000001 0.000005 -0.000001 0.000003 1Rh 1px -0.000002 0.000009 0.000001 -0.000001 0.000001 0.000000 1Rh 1py -0.000001 0.000001 -0.000000 0.000003 0.000001 -0.000004 1Rh 2pz -0.000002 0.000015 0.000004 -0.000024 0.000003 -0.000016 1Rh 2px 0.000009 -0.000043 -0.000005 0.000005 -0.000004 -0.000002 1Rh 2py 0.000004 -0.000003 0.000001 -0.000014 -0.000004 0.000022 1Rh 3pz 0.000011 -0.000085 -0.000023 0.000142 -0.000020 0.000091 1Rh 3px -0.000052 0.000235 0.000028 -0.000029 0.000023 0.000009 1Rh 3py -0.000021 0.000014 -0.000005 0.000080 0.000021 -0.000128 1Rh 4pz -0.000025 0.000201 0.000052 -0.000286 0.000043 -0.000184 1Rh 4px 0.000124 -0.000553 -0.000076 0.000084 -0.000065 0.000002 1Rh 4py 0.000052 -0.000025 0.000006 -0.000153 -0.000042 0.000250 1Rh 5pz 0.000010 -0.000333 -0.000046 0.000202 -0.000037 0.000138 1Rh 5px -0.000106 0.000912 0.000118 -0.000193 0.000113 -0.000105 1Rh 5py -0.000071 0.000030 0.000014 0.000066 0.000021 -0.000147 1Rh 6pz 0.001172 0.002662 0.000420 -0.003375 0.000323 -0.002148 1Rh 6px -0.003653 -0.007260 -0.000621 0.001357 -0.000411 0.000445 1Rh 6py -0.000541 -0.000433 -0.000032 -0.001674 -0.000473 0.002782 1Rh 1dz2 0.000001 0.000002 -0.000002 -0.000001 0.000001 0.000000 1Rh 1dxz 0.000001 0.000003 0.000001 -0.000001 0.000000 -0.000001 1Rh 1dyz 0.000000 0.000001 -0.000005 -0.000003 0.000005 0.000002 1Rh 1dx2y2 -0.000002 -0.000004 -0.000000 0.000000 0.000002 0.000001 1Rh 1dxy -0.000000 -0.000004 -0.000001 -0.000001 0.000001 0.000002 1Rh 2dz2 -0.000003 -0.000010 0.000012 0.000001 -0.000008 -0.000000 1Rh 2dxz -0.000004 -0.000012 -0.000003 0.000006 -0.000001 0.000005 1Rh 2dyz -0.000000 -0.000006 0.000022 0.000007 -0.000023 -0.000004 1Rh 2dx2y2 0.000007 0.000019 0.000001 -0.000001 -0.000007 -0.000004 1Rh 2dxy 0.000001 0.000017 0.000006 0.000002 -0.000004 -0.000007 1Rh 3dz2 0.000008 0.000029 -0.000033 0.000007 0.000022 -0.000003 1Rh 3dxz 0.000012 0.000034 0.000006 -0.000012 0.000002 -0.000010 1Rh 3dyz 0.000001 0.000018 -0.000063 -0.000001 0.000066 -0.000004 1Rh 3dx2y2 -0.000020 -0.000055 -0.000002 -0.000000 0.000020 0.000003 1Rh 3dxy -0.000002 -0.000049 -0.000017 -0.000001 0.000014 0.000010 1Rh 4dz2 -0.000015 -0.000063 0.000074 -0.000069 -0.000053 0.000024 1Rh 4dxz -0.000024 -0.000073 0.000003 -0.000008 0.000009 -0.000014 1Rh 4dyz -0.000002 -0.000037 0.000149 -0.000094 -0.000154 0.000090 1Rh 4dx2y2 0.000041 0.000118 -0.000001 0.000030 -0.000048 0.000044 1Rh 4dxy 0.000002 0.000106 0.000046 -0.000022 -0.000051 0.000036 1Rh 5dz2 0.000086 0.000097 -0.000227 0.000034 0.000169 -0.000026 1Rh 5dxz 0.000120 0.000086 -0.000184 0.000042 -0.000158 0.000005 1Rh 5dyz 0.000020 0.000061 -0.000512 0.000040 0.000440 -0.000014 1Rh 5dx2y2 -0.000190 -0.000146 0.000085 -0.000043 0.000174 0.000014 1Rh 5dxy -0.000047 -0.000197 -0.000211 0.000035 0.000326 -0.000032 1Rh 1f0 -0.000007 -0.000029 0.000003 -0.000002 -0.000001 -0.000009 1Rh 1f+1 0.000006 0.000023 0.000010 0.000008 0.000002 -0.000001 1Rh 1f-1 0.000002 0.000008 0.000008 0.000012 0.000001 0.000001 1Rh 1f+2 0.000011 0.000043 -0.000013 -0.000008 -0.000006 -0.000004 1Rh 1f-2 0.000004 0.000013 0.000009 0.000011 -0.000015 -0.000014 1Rh 1f+3 0.000012 0.000048 -0.000001 0.000004 0.000010 0.000012 1Rh 1f-3 0.000006 0.000021 0.000002 0.000000 -0.000006 0.000003 2C 1s -0.000000 -0.000000 0.000013 0.000001 -0.000000 -0.000001 2C 2s 0.000003 0.000000 -0.000063 -0.000004 0.000002 0.000005 2C 3s -0.000178 0.000126 0.000301 0.000063 -0.000024 -0.000079 2C 4s 0.000933 -0.000770 0.000928 -0.000257 0.000221 0.000462 2C 5s -0.001816 0.002192 -0.005761 -0.003340 0.000374 0.000160 2C 1pz -0.000010 0.000010 0.000116 0.000019 0.000000 -0.000008 2C 1px -0.000017 -0.000003 0.000071 0.000001 0.000001 0.000001 2C 1py -0.000006 0.000001 0.000072 0.000011 -0.000006 0.000007 2C 2pz 0.000414 -0.000401 0.000700 -0.000129 0.000050 0.000185 2C 2px 0.000126 -0.000185 -0.000117 -0.000013 -0.000008 0.000020 2C 2py 0.000232 -0.000267 0.000597 -0.000097 0.000165 -0.000039 2C 3pz -0.000321 0.000523 -0.001498 -0.000724 0.000118 -0.000069 2C 3px -0.000232 0.000208 0.000310 -0.000182 0.000028 -0.000024 2C 3py -0.000239 0.000317 -0.000621 -0.000503 -0.000134 0.000191 2C 1dz2 0.000012 -0.000007 0.000041 0.000001 -0.000005 0.000011 2C 1dxz -0.000001 -0.000014 -0.000018 -0.000003 0.000003 0.000001 2C 1dyz 0.000015 -0.000014 0.000053 -0.000003 0.000007 -0.000001 2C 1dx2y2 -0.000006 0.000008 0.000005 0.000000 -0.000011 -0.000003 2C 1dxy -0.000002 -0.000007 0.000018 -0.000002 -0.000003 0.000006 2C 2dz2 0.000105 -0.000092 0.000128 -0.000006 0.000001 0.000025 2C 2dxz -0.000016 0.000021 0.000647 -0.000032 0.000016 -0.000001 2C 2dyz 0.000149 -0.000188 0.000059 0.000013 0.000027 0.000000 2C 2dx2y2 -0.000023 -0.000015 -0.000486 0.000025 -0.000008 0.000004 2C 2dxy 0.000030 -0.000027 0.000026 0.000002 -0.000009 0.000003 2C 1f0 0.000017 -0.000001 0.000032 0.000000 -0.000005 0.000011 2C 1f+1 0.000001 -0.000017 0.000075 -0.000006 -0.000005 0.000013 2C 1f-1 0.000030 -0.000018 0.000020 0.000005 -0.000001 0.000001 2C 1f+2 -0.000023 0.000015 -0.000040 0.000001 -0.000009 0.000000 2C 1f-2 -0.000001 -0.000015 0.000004 -0.000007 -0.000004 0.000005 2C 1f+3 -0.000009 -0.000006 0.000001 0.000002 0.000004 -0.000002 2C 1f-3 0.000005 -0.000008 0.000045 -0.000002 0.000009 -0.000000 3C 1s 0.000001 0.000000 -0.000000 -0.000001 0.000013 0.000002 3C 2s -0.000002 -0.000001 0.000002 0.000005 -0.000063 -0.000008 3C 3s -0.000115 0.000160 -0.000031 -0.000095 0.000304 0.000078 3C 4s 0.000731 -0.000847 0.000248 0.000550 0.000921 -0.000210 3C 5s -0.001866 0.001918 0.000618 -0.000126 -0.005694 -0.003398 3C 1pz 0.000002 0.000004 0.000006 -0.000009 0.000036 0.000013 3C 1px -0.000013 -0.000001 -0.000004 -0.000001 0.000074 0.000008 3C 1py 0.000007 -0.000016 0.000007 -0.000001 -0.000132 -0.000024 3C 2pz 0.000204 -0.000164 -0.000062 0.000214 0.000676 -0.000064 3C 2px 0.000121 -0.000216 0.000064 0.000074 0.000220 -0.000032 3C 2py -0.000424 0.000425 -0.000150 -0.000083 -0.000554 0.000094 3C 3pz -0.000256 0.000208 0.000223 -0.000193 -0.000778 -0.000435 3C 3px -0.000153 0.000120 -0.000035 -0.000005 0.000236 -0.000300 3C 3py 0.000466 -0.000469 0.000010 -0.000112 0.001433 0.000752 3C 1dz2 0.000004 0.000002 -0.000007 0.000014 -0.000031 -0.000001 3C 1dxz 0.000004 -0.000011 -0.000000 0.000002 -0.000000 -0.000002 3C 1dyz -0.000014 0.000009 -0.000001 -0.000005 -0.000065 -0.000002 3C 1dx2y2 -0.000017 0.000010 -0.000006 -0.000005 -0.000020 -0.000001 3C 1dxy -0.000001 0.000013 -0.000003 -0.000006 0.000002 0.000004 3C 2dz2 -0.000049 0.000048 -0.000027 0.000009 0.000117 0.000003 3C 2dxz 0.000053 -0.000009 -0.000006 0.000011 0.000457 -0.000003 3C 2dyz -0.000139 0.000175 -0.000005 -0.000025 0.000196 -0.000009 3C 2dx2y2 -0.000065 0.000033 -0.000007 -0.000030 -0.000390 0.000002 3C 2dxy -0.000065 0.000078 -0.000001 -0.000021 -0.000474 -0.000008 3C 1f0 -0.000008 0.000011 0.000004 -0.000001 0.000017 -0.000004 3C 1f+1 0.000001 -0.000004 -0.000002 0.000007 0.000027 -0.000002 3C 1f-1 -0.000007 -0.000001 0.000008 -0.000006 0.000007 -0.000005 3C 1f+2 -0.000026 0.000012 0.000002 -0.000004 -0.000004 -0.000003 3C 1f-2 -0.000009 0.000025 0.000005 -0.000012 -0.000036 0.000002 3C 1f+3 0.000009 -0.000023 0.000006 0.000005 0.000062 -0.000002 3C 1f-3 -0.000016 -0.000001 -0.000015 0.000003 -0.000074 -0.000007 4C 1s 0.000001 -0.000001 0.000034 -0.000000 0.000001 0.000001 4C 2s -0.000007 0.000005 -0.000191 0.000001 -0.000003 -0.000004 4C 3s 0.000284 -0.000157 -0.000051 0.000082 -0.000132 -0.000159 4C 4s -0.001033 0.000375 0.003561 -0.000412 0.000667 0.000854 4C 5s 0.000943 -0.000909 -0.000427 -0.000343 0.001853 0.002268 4C 1pz -0.000002 0.000038 -0.000003 -0.000006 -0.000008 -0.000035 4C 1px -0.000038 -0.000035 0.000274 0.000009 -0.000039 0.000026 4C 1py -0.000017 0.000005 0.000107 -0.000001 -0.000022 -0.000009 4C 2pz 0.000087 -0.000638 0.000906 -0.000116 0.000085 0.000601 4C 2px 0.000594 0.000515 0.005934 0.000076 0.000863 -0.000620 4C 2py 0.000275 -0.000163 0.002753 -0.000041 0.000339 0.000163 4C 3pz -0.001003 0.001464 -0.004624 -0.003193 0.000982 0.001646 4C 3px 0.000232 0.000252 -0.003448 -0.000003 0.000388 0.000201 4C 3py -0.000493 0.001050 -0.004173 -0.001934 0.001144 0.000739 4C 1dz2 -0.000002 -0.000032 -0.000173 -0.000008 0.000016 -0.000018 4C 1dxz 0.000045 0.000018 0.000086 0.000007 0.000027 -0.000039 4C 1dyz 0.000012 -0.000029 0.000101 0.000011 -0.000020 0.000013 4C 1dx2y2 -0.000023 0.000013 0.000247 0.000013 0.000028 -0.000014 4C 1dxy 0.000014 0.000025 0.000303 0.000018 0.000028 -0.000002 4C 2dz2 -0.000109 0.000160 -0.002214 0.000105 -0.000345 0.000128 4C 2dxz -0.000059 0.000117 0.000972 0.000110 0.000011 -0.000292 4C 2dyz -0.000269 0.000311 -0.000513 -0.000026 0.000104 -0.000029 4C 2dx2y2 0.000004 -0.000072 0.001826 -0.000221 0.000133 0.000357 4C 2dxy -0.000109 0.000058 0.002155 -0.000120 0.000219 -0.000054 4C 1f0 0.000005 -0.000014 -0.000039 0.000007 -0.000013 -0.000017 4C 1f+1 0.000043 -0.000011 -0.000000 0.000027 -0.000024 -0.000051 4C 1f-1 0.000024 -0.000025 -0.000043 -0.000009 -0.000019 0.000010 4C 1f+2 -0.000029 0.000017 -0.000103 -0.000012 -0.000006 0.000057 4C 1f-2 0.000024 -0.000000 0.000200 -0.000002 0.000002 -0.000000 4C 1f+3 0.000010 -0.000003 -0.000087 -0.000000 0.000001 0.000012 4C 1f-3 0.000029 -0.000015 -0.000225 0.000024 -0.000062 -0.000001 5C 1s 0.000001 -0.000001 0.000001 0.000001 0.000033 0.000002 5C 2s -0.000005 0.000006 -0.000003 -0.000004 -0.000189 -0.000009 5C 3s 0.000171 -0.000303 -0.000171 -0.000133 -0.000084 0.000076 5C 4s -0.000505 0.001133 0.000935 0.000713 0.003727 -0.000215 5C 5s 0.000560 -0.000839 0.002038 0.002324 -0.000397 -0.000436 5C 1pz -0.000002 0.000018 0.000002 -0.000029 -0.000028 -0.000005 5C 1px -0.000050 -0.000027 -0.000046 0.000027 0.000295 0.000020 5C 1py 0.000013 -0.000022 0.000014 0.000034 -0.000032 0.000001 5C 2pz 0.000044 -0.000265 -0.000038 0.000495 -0.000188 -0.000124 5C 2px 0.000733 0.000331 0.000999 -0.000657 0.006400 0.000470 5C 2py -0.000268 0.000325 -0.000180 -0.000602 -0.001632 0.000041 5C 3pz -0.000805 0.000657 0.000566 0.001143 -0.002415 -0.002042 5C 3px -0.000465 0.000675 0.000836 0.000258 -0.004585 -0.000709 5C 3py 0.001430 -0.001095 -0.001589 -0.001194 0.004706 0.003204 5C 1dz2 -0.000010 -0.000019 0.000020 -0.000021 -0.000243 -0.000026 5C 1dxz 0.000025 -0.000004 0.000012 -0.000037 -0.000023 0.000001 5C 1dyz -0.000005 0.000020 -0.000010 0.000003 -0.000056 -0.000010 5C 1dx2y2 -0.000003 0.000043 0.000041 -0.000025 0.000313 0.000034 5C 1dxy -0.000047 -0.000006 -0.000023 0.000016 -0.000192 -0.000027 5C 2dz2 0.000061 -0.000097 -0.000381 0.000057 -0.001498 0.000036 5C 2dxz -0.000073 -0.000018 -0.000081 -0.000182 -0.000052 0.000130 5C 2dyz 0.000255 -0.000296 0.000091 -0.000230 0.000975 0.000122 5C 2dx2y2 0.000157 -0.000089 0.000268 0.000216 0.003059 -0.000048 5C 2dxy 0.000170 -0.000087 -0.000141 0.000319 -0.001360 -0.000118 5C 1f0 -0.000006 -0.000004 0.000011 -0.000040 0.000050 0.000019 5C 1f+1 0.000010 -0.000018 -0.000035 -0.000021 -0.000186 0.000008 5C 1f-1 0.000002 0.000007 0.000024 -0.000023 0.000092 0.000007 5C 1f+2 -0.000008 0.000031 -0.000022 0.000020 -0.000047 0.000008 5C 1f-2 -0.000027 0.000034 0.000003 0.000048 -0.000213 -0.000025 5C 1f+3 0.000025 -0.000026 -0.000043 -0.000011 -0.000069 0.000014 5C 1f-3 -0.000011 0.000051 0.000051 0.000020 0.000122 -0.000011 6C 1s 0.000001 -0.000001 0.000001 0.000001 -0.000003 0.000033 6C 2s -0.000006 0.000005 -0.000004 -0.000004 0.000016 -0.000189 6C 3s 0.000287 -0.000192 -0.000129 -0.000176 0.000087 -0.000073 6C 4s -0.001070 0.000582 0.000695 0.000959 -0.000707 0.003667 6C 5s 0.000805 -0.000606 0.002273 0.002095 -0.000375 -0.000459 6C 1pz 0.000018 -0.000003 0.000029 -0.000001 0.000001 0.000029 6C 1px -0.000031 -0.000048 -0.000028 0.000045 0.000019 -0.000295 6C 1py -0.000022 0.000014 -0.000034 -0.000015 -0.000006 0.000032 6C 2pz -0.000269 0.000062 -0.000498 0.000024 0.000097 0.000204 6C 2px 0.000390 0.000704 0.000687 -0.000981 0.000384 -0.006405 6C 2py 0.000314 -0.000290 0.000599 0.000196 -0.000257 0.001613 6C 3pz 0.000581 -0.000849 -0.001129 -0.000600 0.001701 0.002659 6C 3px 0.000640 -0.000513 -0.000234 -0.000842 0.000094 0.004639 6C 3py -0.000966 0.001504 0.001152 0.001623 -0.002547 -0.005088 6C 1dz2 0.000019 0.000008 -0.000021 0.000020 0.000007 -0.000244 6C 1dxz 0.000002 -0.000025 -0.000037 0.000011 0.000004 -0.000022 6C 1dyz -0.000019 0.000006 0.000004 -0.000010 -0.000002 -0.000057 6C 1dx2y2 -0.000043 0.000006 -0.000026 0.000041 -0.000008 0.000314 6C 1dxy 0.000010 0.000046 0.000016 -0.000022 -0.000001 -0.000194 6C 2dz2 0.000090 -0.000068 0.000067 -0.000379 0.000234 -0.001480 6C 2dxz 0.000019 0.000072 -0.000181 -0.000087 0.000136 -0.000038 6C 2dyz 0.000275 -0.000275 -0.000234 0.000084 -0.000009 0.000983 6C 2dx2y2 0.000082 -0.000162 0.000209 0.000275 -0.000453 0.003025 6C 2dxy 0.000080 -0.000177 0.000324 -0.000133 0.000064 -0.001363 6C 1f0 -0.000003 -0.000006 0.000041 -0.000010 -0.000012 -0.000053 6C 1f+1 -0.000017 0.000012 0.000020 0.000036 -0.000033 0.000183 6C 1f-1 0.000007 0.000002 0.000023 -0.000024 0.000005 -0.000093 6C 1f+2 0.000030 -0.000010 -0.000020 0.000021 -0.000014 0.000046 6C 1f-2 0.000032 -0.000029 -0.000048 -0.000004 -0.000004 0.000214 6C 1f+3 -0.000024 0.000027 0.000010 0.000043 -0.000023 0.000067 6C 1f-3 0.000049 -0.000015 -0.000019 -0.000052 0.000027 -0.000119 7C 1s 0.000001 -0.000001 -0.000001 0.000034 0.000001 0.000001 7C 2s -0.000005 0.000008 0.000006 -0.000191 -0.000004 -0.000004 7C 3s 0.000137 -0.000289 0.000082 -0.000050 -0.000140 -0.000152 7C 4s -0.000301 0.001027 -0.000508 0.003554 0.000754 0.000777 7C 5s 0.000839 -0.001014 -0.000324 -0.000449 0.002017 0.002130 7C 1pz 0.000038 -0.000005 0.000006 0.000004 0.000034 0.000013 7C 1px -0.000038 -0.000036 -0.000002 -0.000274 -0.000031 0.000035 7C 1py 0.000004 -0.000017 0.000004 -0.000106 0.000006 0.000023 7C 2pz -0.000630 0.000133 0.000140 -0.000901 -0.000586 -0.000163 7C 2px 0.000556 0.000574 0.000091 -0.005932 0.000728 -0.000774 7C 2py -0.000146 0.000296 0.000118 -0.002758 -0.000119 -0.000358 7C 3pz 0.001405 -0.001085 0.003059 0.004698 -0.001491 -0.001202 7C 3px 0.000262 0.000224 -0.000093 0.003440 -0.000144 -0.000411 7C 3py 0.001026 -0.000554 0.001822 0.004223 -0.000575 -0.001238 7C 1dz2 0.000032 -0.000000 -0.000003 -0.000174 -0.000020 0.000014 7C 1dxz -0.000021 -0.000044 0.000004 0.000086 -0.000043 0.000021 7C 1dyz 0.000028 -0.000014 0.000008 0.000102 0.000015 -0.000018 7C 1dx2y2 -0.000011 0.000023 0.000006 0.000247 -0.000018 0.000026 7C 1dxy -0.000026 -0.000013 0.000010 0.000304 -0.000006 0.000027 7C 2dz2 -0.000151 0.000124 0.000166 -0.002205 0.000173 -0.000326 7C 2dxz -0.000112 0.000067 0.000082 0.000971 -0.000290 -0.000028 7C 2dyz -0.000292 0.000291 -0.000010 -0.000518 -0.000041 0.000098 7C 2dx2y2 0.000072 -0.000015 -0.000272 0.001820 0.000336 0.000180 7C 2dxy -0.000052 0.000107 -0.000180 0.002155 -0.000083 0.000211 7C 1f0 -0.000013 0.000006 -0.000009 0.000039 0.000015 0.000015 7C 1f+1 -0.000008 0.000042 -0.000027 0.000000 0.000047 0.000031 7C 1f-1 -0.000023 0.000025 0.000008 0.000043 -0.000013 0.000017 7C 1f+2 0.000015 -0.000030 0.000009 0.000104 -0.000057 -0.000001 7C 1f-2 0.000001 0.000024 0.000007 -0.000200 0.000001 -0.000002 7C 1f+3 -0.000002 0.000010 -0.000002 0.000087 -0.000011 -0.000003 7C 1f-3 -0.000013 0.000029 -0.000030 0.000223 -0.000007 0.000062 8C 1s -0.000000 -0.000000 -0.000001 -0.000000 -0.000000 0.000013 8C 2s 0.000001 0.000002 0.000005 0.000002 0.000001 -0.000063 8C 3s -0.000151 0.000125 -0.000094 -0.000034 0.000037 0.000312 8C 4s 0.000795 -0.000784 0.000545 0.000261 -0.000330 0.000883 8C 5s -0.001752 0.001987 -0.000146 0.000621 -0.002613 -0.006079 8C 1pz 0.000005 0.000002 0.000009 -0.000006 -0.000008 -0.000038 8C 1px -0.000001 -0.000013 0.000001 0.000004 0.000002 -0.000075 8C 1py -0.000015 0.000008 0.000002 -0.000007 0.000006 0.000134 8C 2pz -0.000152 0.000215 -0.000216 0.000055 0.000153 -0.000661 8C 2px -0.000208 0.000136 -0.000071 -0.000065 0.000060 -0.000203 8C 2py 0.000395 -0.000452 0.000079 0.000152 -0.000167 0.000541 8C 3pz 0.000187 -0.000269 0.000200 -0.000216 0.000327 0.000830 8C 3px 0.000107 -0.000161 0.000004 0.000034 0.000328 -0.000191 8C 3py -0.000429 0.000496 0.000112 -0.000006 -0.000555 -0.001517 8C 1dz2 -0.000003 -0.000003 0.000014 -0.000007 0.000003 -0.000031 8C 1dxz 0.000011 -0.000005 0.000002 -0.000000 -0.000002 -0.000001 8C 1dyz -0.000008 0.000015 -0.000005 -0.000001 0.000007 -0.000064 8C 1dx2y2 -0.000009 0.000017 -0.000005 -0.000006 0.000001 -0.000020 8C 1dxy -0.000013 0.000001 -0.000006 -0.000003 0.000004 0.000002 8C 2dz2 -0.000045 0.000052 0.000010 -0.000027 -0.000013 0.000117 8C 2dxz 0.000006 -0.000054 0.000011 -0.000005 -0.000063 0.000456 8C 2dyz -0.000165 0.000150 -0.000025 -0.000005 -0.000035 0.000195 8C 2dx2y2 -0.000029 0.000068 -0.000029 -0.000008 0.000053 -0.000385 8C 2dxy -0.000073 0.000071 -0.000021 -0.000001 0.000055 -0.000472 8C 1f0 0.000010 -0.000009 0.000001 -0.000004 0.000006 -0.000016 8C 1f+1 -0.000004 0.000001 -0.000007 0.000002 0.000005 -0.000027 8C 1f-1 -0.000002 -0.000007 0.000006 -0.000007 0.000006 -0.000007 8C 1f+2 0.000010 -0.000027 0.000004 -0.000002 0.000002 0.000004 8C 1f-2 0.000024 -0.000010 0.000012 -0.000004 -0.000007 0.000036 8C 1f+3 -0.000023 0.000010 -0.000005 -0.000006 0.000010 -0.000061 8C 1f-3 -0.000002 -0.000016 -0.000004 0.000015 -0.000003 0.000073 9C 1s 0.000000 0.000000 0.000001 0.000013 -0.000001 -0.000000 9C 2s -0.000001 -0.000003 -0.000003 -0.000064 0.000004 0.000002 9C 3s -0.000113 0.000187 0.000054 0.000304 -0.000076 -0.000034 9C 4s 0.000702 -0.000987 -0.000284 0.000919 0.000433 0.000279 9C 5s -0.002073 0.001949 -0.003184 -0.005823 0.000082 0.000413 9C 1pz 0.000010 -0.000011 -0.000016 -0.000116 0.000008 0.000001 9C 1px -0.000004 -0.000017 0.000001 -0.000072 -0.000001 -0.000001 9C 1py 0.000001 -0.000007 -0.000009 -0.000074 -0.000007 0.000005 9C 2pz -0.000369 0.000440 0.000150 -0.000706 -0.000177 -0.000074 9C 2px -0.000176 0.000139 0.000009 0.000126 -0.000021 0.000004 9C 2py -0.000253 0.000256 0.000113 -0.000583 0.000060 -0.000159 9C 3pz 0.000500 -0.000351 0.000681 0.001506 0.000090 -0.000111 9C 3px 0.000195 -0.000247 0.000189 -0.000308 0.000029 -0.000022 9C 3py 0.000304 -0.000261 0.000488 0.000647 -0.000205 0.000104 9C 1dz2 0.000006 -0.000012 -0.000000 0.000040 0.000012 -0.000004 9C 1dxz 0.000014 -0.000000 -0.000002 -0.000018 0.000000 0.000003 9C 1dyz 0.000012 -0.000016 -0.000005 0.000054 -0.000002 0.000007 9C 1dx2y2 -0.000007 0.000006 0.000000 0.000005 -0.000002 -0.000011 9C 1dxy 0.000007 0.000002 -0.000003 0.000017 0.000007 -0.000002 9C 2dz2 0.000084 -0.000111 -0.000009 0.000126 0.000024 0.000004 9C 2dxz -0.000022 0.000016 -0.000050 0.000647 -0.000003 0.000015 9C 2dyz 0.000177 -0.000163 0.000011 0.000058 -0.000002 0.000028 9C 2dx2y2 0.000016 0.000023 0.000039 -0.000489 0.000004 -0.000008 9C 2dxy 0.000026 -0.000031 0.000002 0.000028 0.000004 -0.000008 9C 1f0 -0.000000 0.000017 0.000000 -0.000031 -0.000011 0.000003 9C 1f+1 -0.000017 0.000002 0.000008 -0.000074 -0.000013 0.000003 9C 1f-1 -0.000016 0.000031 -0.000005 -0.000020 -0.000001 0.000001 9C 1f+2 0.000013 -0.000024 -0.000002 0.000040 -0.000001 0.000008 9C 1f-2 -0.000015 0.000000 0.000007 -0.000005 -0.000006 0.000003 9C 1f+3 -0.000006 -0.000009 -0.000002 -0.000002 0.000002 -0.000004 9C 1f-3 -0.000007 0.000006 0.000003 -0.000045 0.000002 -0.000009 10H 1s -0.000026 0.000008 0.000067 -0.000005 -0.000015 -0.000009 10H 2s -0.000008 0.000113 0.000653 -0.000007 0.000079 0.000019 10H 3s 0.000190 -0.000241 0.000084 0.000153 -0.000079 0.000072 10H 1pz -0.000012 0.000021 0.000070 -0.000008 0.000006 -0.000002 10H 1px 0.000019 -0.000020 -0.000090 -0.000003 -0.000007 0.000008 10H 1py -0.000007 0.000012 0.000057 -0.000005 0.000004 0.000001 11H 1s 0.000002 0.000003 -0.000035 -0.000002 -0.000005 -0.000007 11H 2s 0.000047 -0.000112 -0.000398 0.000081 -0.000008 0.000055 11H 3s 0.000082 0.000011 0.000380 0.000194 0.000044 -0.000074 11H 1pz -0.000008 0.000005 -0.000053 0.000009 -0.000013 0.000004 11H 1px 0.000002 -0.000016 -0.000081 0.000008 -0.000006 0.000007 11H 1py -0.000008 0.000013 -0.000023 -0.000004 -0.000001 0.000000 12H 1s -0.000000 0.000014 0.000005 -0.000002 0.000003 -0.000010 12H 2s -0.000020 -0.000111 -0.000171 0.000060 0.000066 -0.000034 12H 3s 0.000150 -0.000026 0.000464 0.000187 -0.000060 0.000123 12H 1pz -0.000007 0.000011 -0.000027 -0.000000 0.000003 -0.000006 12H 1px 0.000000 -0.000012 -0.000099 0.000006 0.000007 -0.000008 12H 1py -0.000017 -0.000001 -0.000014 0.000006 0.000014 -0.000024 13H 1s -0.000022 0.000006 -0.000014 -0.000006 0.000062 -0.000001 13H 2s 0.000069 0.000103 0.000009 0.000035 0.000569 0.000015 13H 3s 0.000004 -0.000197 0.000006 0.000077 0.000108 0.000149 13H 1pz -0.000006 0.000023 -0.000009 -0.000001 0.000103 0.000001 13H 1px -0.000003 -0.000010 0.000003 0.000004 -0.000036 -0.000005 13H 1py 0.000002 -0.000014 0.000005 -0.000003 -0.000031 0.000007 14H 1s 0.000002 0.000015 -0.000006 -0.000016 0.000020 -0.000000 14H 2s -0.000056 -0.000048 0.000015 0.000092 -0.000046 0.000045 14H 3s 0.000145 -0.000095 -0.000004 -0.000043 0.000493 0.000187 14H 1pz -0.000017 0.000013 -0.000006 0.000006 0.000054 0.000003 14H 1px -0.000012 0.000000 -0.000005 0.000009 -0.000071 0.000003 14H 1py 0.000007 -0.000003 0.000002 -0.000002 0.000040 0.000002 15H 1s 0.000005 0.000001 0.000005 -0.000008 -0.000045 -0.000003 15H 2s 0.000038 -0.000103 0.000063 -0.000052 -0.000430 0.000053 15H 3s 0.000043 -0.000012 -0.000135 0.000194 0.000369 0.000192 15H 1pz -0.000011 0.000017 -0.000007 0.000007 0.000017 -0.000005 15H 1px -0.000003 -0.000005 0.000003 -0.000007 -0.000053 -0.000001 15H 1py 0.000009 -0.000003 -0.000016 0.000026 0.000074 -0.000006 16H 1s 0.000654 -0.000029 0.000018 -0.000005 -0.000009 0.000005 16H 2s 0.000198 -0.000030 -0.000418 0.000060 0.000095 -0.000016 16H 3s -0.001137 0.000140 0.000259 0.000027 0.000034 0.000018 16H 1pz 0.000577 -0.000014 -0.000108 0.000008 0.000042 -0.000001 16H 1px 0.000049 -0.000007 -0.000008 -0.000005 -0.000007 0.000000 16H 1py 0.000305 -0.000008 -0.000038 0.000001 0.000016 0.000002 17H 1s 0.000657 -0.000029 -0.000005 0.000003 0.000001 0.000001 17H 2s 0.000242 -0.000043 -0.000120 -0.000013 0.000147 -0.000017 17H 3s -0.001100 0.000139 -0.000020 0.000008 -0.000048 0.000093 17H 1pz -0.000415 0.000015 0.000020 -0.000003 -0.000036 0.000002 17H 1px -0.000324 0.000005 0.000024 0.000002 -0.000008 -0.000003 17H 1py 0.000405 -0.000012 0.000006 -0.000006 0.000010 -0.000001 18H 1s -0.000016 -0.000657 0.000003 -0.000004 0.000001 0.000001 18H 2s 0.000024 -0.000247 -0.000010 -0.000130 -0.000037 0.000133 18H 3s -0.000064 0.001105 0.000009 -0.000023 0.000098 -0.000036 18H 1pz -0.000014 -0.000425 0.000003 -0.000022 -0.000007 0.000035 18H 1px -0.000018 -0.000326 -0.000002 -0.000027 0.000002 0.000006 18H 1py 0.000015 0.000394 0.000007 -0.000006 0.000002 -0.000007 19H 1s -0.000015 -0.000654 -0.000005 0.000018 0.000006 -0.000008 19H 2s 0.000017 -0.000195 0.000072 -0.000424 -0.000030 0.000079 19H 3s -0.000062 0.001147 0.000019 0.000259 0.000013 0.000032 19H 1pz 0.000025 0.000569 -0.000011 0.000109 0.000007 -0.000037 19H 1px -0.000003 0.000045 0.000005 0.000007 -0.000001 0.000005 19H 1py 0.000013 0.000317 -0.000002 0.000042 0.000000 -0.000016 20H 1s -0.000001 -0.000005 -0.000008 0.000005 0.000003 -0.000045 20H 2s 0.000099 -0.000044 -0.000055 0.000062 0.000110 -0.000419 20H 3s 0.000006 -0.000044 0.000199 -0.000130 0.000142 0.000391 20H 1pz 0.000016 -0.000013 -0.000007 0.000006 0.000008 -0.000016 20H 1px -0.000005 -0.000002 0.000008 -0.000002 -0.000007 0.000054 20H 1py -0.000003 0.000009 -0.000027 0.000015 0.000016 -0.000072 21H 1s -0.000015 -0.000001 -0.000016 -0.000006 -0.000003 0.000018 21H 2s 0.000052 0.000052 0.000091 0.000017 0.000052 -0.000049 21H 3s 0.000081 -0.000149 -0.000043 -0.000006 0.000121 0.000511 21H 1pz 0.000012 -0.000018 -0.000006 0.000006 0.000004 -0.000052 21H 1px -0.000001 -0.000011 -0.000009 0.000005 -0.000013 0.000072 21H 1py -0.000003 0.000008 0.000002 -0.000002 0.000004 -0.000040 22H 1s -0.000004 0.000023 -0.000006 -0.000014 -0.000009 0.000061 22H 2s -0.000108 -0.000062 0.000035 0.000012 -0.000061 0.000574 22H 3s 0.000195 -0.000016 0.000078 0.000005 0.000134 0.000123 22H 1pz 0.000022 -0.000007 0.000001 0.000009 0.000013 -0.000102 22H 1px -0.000010 -0.000002 -0.000004 -0.000003 0.000001 0.000039 22H 1py -0.000014 0.000003 0.000004 -0.000005 -0.000011 0.000032 23H 1s -0.000013 0.000001 -0.000002 0.000003 -0.000010 0.000002 23H 2s 0.000112 0.000009 0.000066 -0.000184 -0.000044 0.000060 23H 3s 0.000015 -0.000149 0.000175 0.000463 0.000135 -0.000047 23H 1pz 0.000011 -0.000008 -0.000000 0.000027 0.000006 -0.000002 23H 1px -0.000012 0.000001 -0.000009 0.000099 0.000008 -0.000006 23H 1py -0.000003 -0.000016 -0.000007 0.000018 0.000026 -0.000011 24H 1s -0.000004 -0.000002 -0.000001 -0.000034 -0.000007 -0.000006 24H 2s 0.000109 -0.000053 0.000092 -0.000392 0.000057 0.000001 24H 3s -0.000017 -0.000082 0.000184 0.000386 -0.000077 0.000029 24H 1pz 0.000005 -0.000009 -0.000010 0.000051 -0.000006 0.000012 24H 1px -0.000016 0.000003 -0.000011 0.000082 -0.000008 0.000005 24H 1py 0.000012 -0.000008 0.000003 0.000025 -0.000001 0.000001 25H 1s -0.000006 0.000027 -0.000007 0.000068 -0.000007 -0.000016 25H 2s -0.000113 0.000016 -0.000025 0.000662 0.000009 0.000080 25H 3s 0.000230 -0.000207 0.000151 0.000082 0.000084 -0.000068 25H 1pz 0.000020 -0.000013 0.000010 -0.000073 0.000003 -0.000005 25H 1px -0.000019 0.000021 0.000001 0.000091 -0.000008 0.000005 25H 1py 0.000011 -0.000008 0.000007 -0.000055 -0.000000 -0.000003 26O 1s -0.000004 0.000010 0.435604 0.006063 0.000507 0.000136 26O 2s -0.000007 0.000013 0.639942 0.008914 0.000759 0.000204 26O 3s 0.000006 0.000021 0.032472 0.000401 -0.000014 -0.000016 26O 4s -0.000083 0.000039 -0.025042 -0.000276 0.000045 0.000139 26O 5s 0.000303 -0.000896 0.011783 0.001611 -0.002183 -0.001061 26O 1pz -0.000004 0.000005 0.000304 -0.000007 -0.000018 0.000010 26O 1px 0.000003 -0.000010 -0.001603 -0.000014 -0.000041 -0.000005 26O 1py -0.000000 -0.000003 -0.000412 -0.000009 -0.000018 -0.000002 26O 2pz -0.000003 -0.000010 -0.000134 0.000002 0.000126 -0.000040 26O 2px -0.000122 0.000088 0.004338 -0.000074 0.000375 0.000028 26O 2py -0.000045 0.000043 0.001544 -0.000030 0.000164 0.000031 26O 3pz 0.000497 -0.000224 0.001940 0.000578 -0.000257 -0.000097 26O 3px 0.001168 0.000457 0.000206 -0.000277 0.000779 0.000163 26O 3py 0.000664 -0.000003 0.001272 0.000256 0.000480 0.000032 26O 1dz2 -0.000002 0.000001 -0.000136 -0.000013 -0.000001 -0.000002 26O 1dxz -0.000022 -0.000006 0.000055 0.000001 0.000000 -0.000003 26O 1dyz -0.000003 0.000006 -0.000013 -0.000016 -0.000003 0.000004 26O 1dx2y2 0.000005 0.000002 0.000133 0.000006 0.000016 -0.000007 26O 1dxy -0.000009 -0.000000 0.000154 0.000002 -0.000003 -0.000001 26O 2dz2 -0.000000 0.000015 0.000742 0.000042 0.000051 0.000004 26O 2dxz 0.000072 0.000024 -0.000274 0.000006 -0.000023 0.000015 26O 2dyz 0.000018 -0.000020 0.000007 0.000072 0.000011 -0.000022 26O 2dx2y2 -0.000003 -0.000036 -0.000771 -0.000012 -0.000135 0.000029 26O 2dxy 0.000043 -0.000025 -0.000872 0.000013 -0.000047 -0.000016 26O 1f0 -0.000007 -0.000002 -0.000018 0.000002 -0.000006 0.000007 26O 1f+1 0.000004 -0.000007 -0.000096 -0.000000 -0.000010 0.000001 26O 1f-1 -0.000003 -0.000002 -0.000043 0.000009 -0.000000 -0.000006 26O 1f+2 0.000006 0.000001 0.000020 -0.000005 0.000002 -0.000002 26O 1f-2 0.000008 0.000003 0.000021 0.000002 0.000005 -0.000003 26O 1f+3 0.000005 -0.000002 -0.000048 -0.000000 -0.000004 0.000002 26O 1f-3 -0.000004 -0.000009 -0.000132 -0.000002 -0.000009 -0.000001 27O 1s 0.000011 0.000004 -0.000517 -0.000114 0.434672 0.028931 27O 2s 0.000011 0.000006 -0.000746 -0.000164 0.638584 0.042509 27O 3s 0.000055 0.000020 -0.000083 -0.000035 0.032459 0.002112 27O 4s -0.000223 0.000055 0.000083 0.000154 -0.025042 -0.001601 27O 5s 0.000120 -0.001227 -0.002622 -0.000849 0.011580 0.002087 27O 1pz -0.000003 0.000005 -0.000011 0.000010 0.000369 0.000017 27O 1px -0.000002 -0.000013 -0.000043 -0.000001 -0.001624 -0.000103 27O 1py -0.000003 -0.000005 0.000015 -0.000003 -0.000052 0.000007 27O 2pz 0.000017 -0.000013 0.000059 -0.000051 -0.000595 -0.000024 27O 2px -0.000038 0.000140 0.000445 -0.000004 0.004578 0.000180 27O 2py 0.000028 -0.000008 -0.000126 -0.000001 -0.000469 -0.000022 27O 3pz 0.000020 -0.000186 -0.000478 -0.000086 0.001138 0.000441 27O 3px 0.001105 0.000555 0.001022 0.000022 0.000508 -0.000096 27O 3py -0.000591 0.000078 -0.000176 0.000106 -0.001773 -0.000603 27O 1dz2 0.000005 -0.000003 -0.000001 -0.000003 -0.000108 -0.000006 27O 1dxz -0.000008 -0.000003 0.000002 -0.000002 -0.000014 -0.000004 27O 1dyz -0.000001 -0.000009 -0.000003 0.000001 0.000017 0.000017 27O 1dx2y2 0.000004 0.000001 0.000014 -0.000009 0.000192 0.000024 27O 1dxy 0.000014 0.000000 0.000008 0.000000 -0.000086 -0.000001 27O 2dz2 -0.000013 0.000040 0.000059 0.000005 0.000655 0.000024 27O 2dxz 0.000022 0.000019 -0.000007 0.000021 0.000081 0.000020 27O 2dyz -0.000003 0.000033 0.000014 0.000003 -0.000142 -0.000074 27O 2dx2y2 -0.000021 -0.000053 -0.000159 0.000042 -0.001126 -0.000100 27O 2dxy -0.000032 0.000012 0.000004 0.000013 0.000510 -0.000003 27O 1f0 -0.000004 0.000001 -0.000004 0.000009 0.000018 -0.000004 27O 1f+1 -0.000006 -0.000009 -0.000014 0.000004 -0.000102 -0.000008 27O 1f-1 0.000004 0.000002 0.000003 -0.000003 0.000015 -0.000001 27O 1f+2 0.000003 -0.000002 -0.000000 -0.000002 -0.000023 -0.000009 27O 1f-2 -0.000001 -0.000001 0.000001 0.000002 0.000009 -0.000004 27O 1f+3 0.000003 -0.000010 -0.000009 0.000001 -0.000116 -0.000005 27O 1f-3 0.000013 0.000006 0.000007 -0.000000 0.000076 0.000003 28O 1s -0.000004 -0.000009 0.000145 -0.000130 -0.000036 -0.000363 28O 2s -0.000005 -0.000008 0.000183 -0.000185 -0.000051 -0.000519 28O 3s -0.000021 -0.000055 0.000110 -0.000070 -0.000021 -0.000075 28O 4s -0.000057 0.000225 0.000204 0.000236 0.000132 0.000079 28O 5s 0.001206 0.000066 0.002797 0.000614 -0.000669 -0.002444 28O 1pz 0.000001 0.000003 -0.000018 -0.000006 0.000006 -0.000032 28O 1px -0.000015 -0.000001 -0.000002 0.000003 0.000003 0.000030 28O 1py -0.000005 -0.000004 -0.000009 -0.000001 0.000010 -0.000016 28O 2pz -0.000058 0.000005 -0.000203 -0.000020 -0.000027 0.000301 28O 2px 0.000116 -0.000015 0.000548 0.000041 0.000013 -0.000313 28O 2py 0.000012 0.000021 0.000071 -0.000002 -0.000057 0.000113 28O 3pz -0.000307 -0.000902 0.001088 -0.000784 -0.000091 0.000535 28O 3px 0.000579 0.000828 0.001278 0.000463 -0.000043 -0.000753 28O 3py 0.000015 -0.000394 0.001184 -0.000283 -0.000065 -0.000313 28O 1dz2 -0.000001 0.000009 0.000022 0.000001 0.000007 -0.000012 28O 1dxz 0.000000 -0.000004 -0.000022 0.000009 0.000008 -0.000004 28O 1dyz -0.000006 0.000008 0.000044 0.000003 -0.000002 0.000002 28O 1dx2y2 -0.000005 -0.000009 0.000017 -0.000005 0.000001 0.000008 28O 1dxy -0.000005 -0.000007 0.000011 0.000002 0.000003 -0.000003 28O 2dz2 0.000004 -0.000024 -0.000147 -0.000001 -0.000037 0.000050 28O 2dxz -0.000050 -0.000006 -0.000024 -0.000061 -0.000031 0.000113 28O 2dyz 0.000024 -0.000023 -0.000196 -0.000010 0.000006 -0.000025 28O 2dx2y2 0.000053 0.000035 0.000068 0.000033 0.000010 -0.000084 28O 2dxy 0.000018 0.000010 -0.000010 -0.000014 -0.000028 0.000030 28O 1f0 0.000005 -0.000000 0.000012 -0.000001 -0.000000 -0.000003 28O 1f+1 0.000008 0.000011 0.000007 0.000003 -0.000000 -0.000006 28O 1f-1 -0.000002 -0.000005 0.000057 0.000001 -0.000006 0.000003 28O 1f+2 -0.000011 -0.000003 -0.000003 -0.000002 -0.000002 0.000011 28O 1f-2 0.000002 0.000009 -0.000019 0.000003 0.000004 -0.000004 28O 1f+3 -0.000007 0.000003 0.000024 0.000001 0.000000 0.000007 28O 1f-3 0.000001 0.000006 0.000041 0.000000 0.000008 -0.000006 29O 1s 0.435361 -0.014835 0.000005 0.000010 -0.000010 0.000004 29O 2s 0.639756 -0.021824 0.000006 0.000016 -0.000020 0.000007 29O 3s 0.031203 -0.000891 0.000001 -0.000014 0.000068 -0.000002 29O 4s -0.020210 0.000133 -0.000174 0.000066 -0.000319 0.000007 29O 5s 0.012467 0.000692 0.001147 -0.000196 0.000613 -0.000025 29O 1pz -0.000339 0.000021 0.000013 0.000002 -0.000004 -0.000001 29O 1px 0.000606 -0.000045 0.000013 -0.000002 0.000024 -0.000004 29O 1py -0.001253 0.000046 0.000015 0.000000 0.000000 0.000001 29O 2pz 0.000367 -0.000052 -0.000115 -0.000002 0.000036 0.000003 29O 2px -0.000574 0.000122 -0.000001 0.000005 -0.000078 0.000019 29O 2py 0.001712 -0.000068 -0.000088 -0.000002 0.000012 -0.000004 29O 3pz 0.000386 0.000162 -0.000091 0.000053 -0.000044 -0.000012 29O 3px -0.001627 -0.000410 -0.000383 0.000057 -0.000342 -0.000040 29O 3py -0.001491 0.000014 -0.000287 0.000042 0.000246 -0.000001 29O 1dz2 0.000064 -0.000004 0.000008 -0.000002 0.000008 0.000000 29O 1dxz 0.000056 -0.000004 -0.000006 0.000002 0.000001 0.000001 29O 1dyz 0.000012 -0.000001 0.000002 0.000000 -0.000011 0.000002 29O 1dx2y2 -0.000045 0.000003 -0.000009 0.000001 -0.000017 0.000001 29O 1dxy -0.000073 0.000005 -0.000008 0.000002 0.000008 -0.000002 29O 2dz2 -0.000375 0.000018 0.000012 0.000004 -0.000043 -0.000000 29O 2dxz -0.000308 0.000015 0.000020 -0.000002 -0.000012 -0.000002 29O 2dyz -0.000079 0.000004 0.000027 -0.000006 0.000028 -0.000006 29O 2dx2y2 0.000184 -0.000011 0.000023 -0.000005 0.000063 -0.000005 29O 2dxy 0.000393 -0.000022 0.000021 -0.000008 -0.000017 0.000005 29O 1f0 0.000126 -0.000003 -0.000011 0.000001 0.000004 -0.000000 29O 1f+1 -0.000056 0.000001 0.000007 -0.000001 0.000003 -0.000001 29O 1f-1 0.000126 -0.000006 -0.000012 0.000001 0.000002 -0.000000 29O 1f+2 -0.000055 -0.000001 0.000002 0.000000 -0.000004 0.000000 29O 1f-2 0.000079 -0.000005 0.000003 -0.000001 0.000001 0.000002 29O 1f+3 -0.000038 -0.000003 0.000007 -0.000001 0.000001 -0.000001 29O 1f-3 -0.000049 0.000000 0.000000 -0.000001 -0.000004 0.000001 30O 1s -0.000005 0.000005 -0.000056 -0.000240 0.000298 -0.000258 30O 2s -0.000006 0.000008 -0.000078 -0.000341 0.000407 -0.000374 30O 3s -0.000015 -0.000002 -0.000033 -0.000058 0.000124 -0.000075 30O 4s -0.000068 0.000078 0.000166 0.000051 0.000200 0.000249 30O 5s 0.001009 -0.000621 -0.000850 -0.002429 0.002654 0.000857 30O 1pz 0.000002 0.000001 -0.000001 -0.000021 -0.000007 -0.000003 30O 1px -0.000012 0.000007 0.000005 0.000024 -0.000003 0.000002 30O 1py -0.000000 0.000001 -0.000009 0.000034 0.000017 0.000006 30O 2pz -0.000029 0.000083 0.000016 0.000206 -0.000211 -0.000039 30O 2px 0.000078 -0.000129 -0.000007 -0.000262 0.000531 0.000075 30O 2py 0.000033 -0.000086 0.000049 -0.000294 0.000128 0.000027 30O 3pz -0.000213 -0.000798 -0.000019 0.000673 0.000642 -0.000512 30O 3px 0.000550 0.000579 -0.000108 -0.000864 0.001523 0.000505 30O 3py 0.000099 0.000824 0.000070 -0.000194 -0.001289 0.000641 30O 1dz2 0.000006 0.000011 0.000007 -0.000014 -0.000018 0.000000 30O 1dxz 0.000001 -0.000001 0.000005 -0.000003 -0.000013 0.000006 30O 1dyz 0.000003 -0.000014 -0.000004 0.000004 -0.000053 -0.000002 30O 1dx2y2 -0.000003 -0.000015 0.000002 0.000007 -0.000006 -0.000005 30O 1dxy 0.000005 0.000011 -0.000005 0.000007 0.000001 -0.000008 30O 2dz2 -0.000033 -0.000029 -0.000033 0.000082 0.000017 -0.000007 30O 2dxz -0.000030 0.000024 -0.000011 0.000079 -0.000048 -0.000047 30O 2dyz -0.000026 0.000067 0.000021 0.000026 0.000193 -0.000006 30O 2dx2y2 0.000028 0.000041 -0.000003 -0.000043 0.000151 0.000029 30O 2dxy 0.000009 -0.000054 0.000036 -0.000104 0.000068 0.000058 30O 1f0 0.000007 -0.000002 0.000005 -0.000008 -0.000041 -0.000003 30O 1f+1 0.000001 0.000002 -0.000003 -0.000000 0.000030 0.000002 30O 1f-1 0.000001 0.000005 0.000001 -0.000003 -0.000024 -0.000001 30O 1f+2 -0.000001 0.000007 0.000006 -0.000001 -0.000025 -0.000001 30O 1f-2 -0.000009 -0.000005 0.000001 0.000010 0.000015 -0.000004 30O 1f+3 0.000002 0.000008 0.000006 -0.000005 0.000035 0.000006 30O 1f-3 -0.000006 0.000004 -0.000004 0.000011 -0.000029 -0.000002 31O 1s -0.000004 0.000005 -0.000230 -0.000064 -0.000288 0.000257 31O 2s -0.000007 0.000006 -0.000326 -0.000090 -0.000414 0.000348 31O 3s 0.000005 0.000014 -0.000056 -0.000035 -0.000090 0.000112 31O 4s -0.000079 0.000075 0.000044 0.000170 0.000221 0.000231 31O 5s 0.000517 -0.001051 -0.002413 -0.000922 0.000491 0.002740 31O 1pz 0.000001 0.000001 0.000021 0.000002 0.000002 0.000008 31O 1px 0.000006 -0.000013 -0.000023 -0.000006 -0.000002 0.000003 31O 1py 0.000001 -0.000001 -0.000034 0.000008 -0.000004 -0.000018 31O 2pz 0.000079 -0.000034 -0.000206 -0.000022 0.000010 0.000214 31O 2px -0.000120 0.000086 0.000262 0.000014 -0.000003 -0.000535 31O 2py -0.000081 0.000038 0.000296 -0.000040 -0.000009 -0.000131 31O 3pz -0.000822 -0.000158 -0.000676 -0.000000 0.000593 -0.000567 31O 3px 0.000629 0.000510 0.000864 0.000133 -0.000297 -0.001575 31O 3py 0.000839 0.000041 0.000198 -0.000066 -0.000807 0.001194 31O 1dz2 -0.000012 -0.000005 -0.000014 0.000006 0.000003 -0.000018 31O 1dxz 0.000001 -0.000001 -0.000003 0.000005 0.000007 -0.000012 31O 1dyz 0.000013 -0.000004 0.000004 -0.000004 0.000005 -0.000053 31O 1dx2y2 0.000015 0.000002 0.000007 0.000002 -0.000004 -0.000007 31O 1dxy -0.000011 -0.000004 0.000007 -0.000005 -0.000008 -0.000000 31O 2dz2 0.000031 0.000031 0.000082 -0.000030 -0.000009 0.000016 31O 2dxz -0.000020 0.000031 0.000080 -0.000008 -0.000040 -0.000054 31O 2dyz -0.000063 0.000031 0.000026 0.000022 -0.000032 0.000190 31O 2dx2y2 -0.000044 -0.000025 -0.000043 -0.000004 0.000009 0.000153 31O 2dxy 0.000051 -0.000012 -0.000106 0.000033 0.000048 0.000075 31O 1f0 -0.000001 0.000007 0.000008 -0.000004 -0.000003 0.000041 31O 1f+1 0.000002 0.000000 0.000000 0.000003 0.000002 -0.000030 31O 1f-1 0.000005 0.000001 0.000003 -0.000001 -0.000002 0.000023 31O 1f+2 0.000007 -0.000002 0.000001 -0.000006 -0.000002 0.000025 31O 1f-2 -0.000006 -0.000009 -0.000010 -0.000001 0.000006 -0.000014 31O 1f+3 0.000008 0.000002 0.000005 -0.000006 -0.000001 -0.000036 31O 1f-3 0.000004 -0.000006 -0.000011 0.000004 -0.000002 0.000029 32O 1s -0.014840 -0.435361 0.000010 0.000004 0.000005 -0.000010 32O 2s -0.021784 -0.639757 0.000016 0.000006 0.000009 -0.000020 32O 3s -0.001236 -0.031191 -0.000014 0.000000 -0.000010 0.000066 32O 4s 0.001243 0.020172 0.000070 -0.000171 0.000048 -0.000313 32O 5s -0.001539 -0.012394 -0.000227 0.001155 -0.000104 0.000624 32O 1pz -0.000001 -0.000308 -0.000001 -0.000013 0.000001 0.000004 32O 1px -0.000003 0.000619 0.000002 -0.000012 0.000007 -0.000024 32O 1py -0.000039 -0.001256 0.000000 -0.000016 -0.000001 -0.000001 32O 2pz -0.000027 0.000327 -0.000002 0.000113 0.000002 -0.000033 32O 2px 0.000082 -0.000596 -0.000005 -0.000003 -0.000029 0.000074 32O 2py 0.000050 0.001716 -0.000000 0.000093 0.000005 -0.000008 32O 3pz 0.000186 0.000395 -0.000055 0.000088 0.000006 0.000049 32O 3px -0.000520 -0.001588 -0.000067 0.000379 -0.000006 0.000344 32O 3py -0.000087 -0.001492 -0.000051 0.000292 0.000035 -0.000236 32O 1dz2 0.000000 -0.000065 -0.000002 0.000008 -0.000001 0.000008 32O 1dxz -0.000000 -0.000057 0.000002 -0.000006 0.000001 0.000001 32O 1dyz 0.000000 -0.000014 0.000000 0.000002 0.000004 -0.000010 32O 1dx2y2 -0.000000 0.000044 0.000001 -0.000008 0.000003 -0.000017 32O 1dxy -0.000000 0.000072 0.000002 -0.000008 -0.000003 0.000008 32O 2dz2 0.000007 0.000375 0.000004 0.000011 0.000005 -0.000040 32O 2dxz 0.000006 0.000313 -0.000002 0.000021 -0.000000 -0.000011 32O 2dyz 0.000002 0.000089 -0.000007 0.000028 -0.000009 0.000027 32O 2dx2y2 -0.000002 -0.000181 -0.000005 0.000022 -0.000013 0.000061 32O 2dxy -0.000005 -0.000390 -0.000008 0.000019 0.000007 -0.000017 32O 1f0 0.000005 0.000118 -0.000001 0.000010 0.000001 -0.000004 32O 1f+1 -0.000003 -0.000062 0.000001 -0.000007 0.000001 -0.000002 32O 1f-1 0.000003 0.000131 -0.000001 0.000013 0.000000 -0.000002 32O 1f+2 -0.000005 -0.000061 -0.000000 -0.000002 -0.000001 0.000004 32O 1f-2 0.000001 0.000077 0.000001 -0.000003 -0.000001 -0.000001 32O 1f+3 -0.000005 -0.000035 0.000001 -0.000008 0.000001 -0.000001 32O 1f-3 -0.000003 -0.000047 0.000001 -0.000000 -0.000001 0.000004 33O 1s 0.000010 0.000003 -0.000125 0.000138 -0.000326 -0.000078 33O 2s 0.000009 0.000004 -0.000176 0.000172 -0.000465 -0.000111 33O 3s 0.000057 0.000017 -0.000072 0.000108 -0.000069 -0.000030 33O 4s -0.000226 0.000073 0.000228 0.000209 0.000059 0.000141 33O 5s -0.000138 -0.001192 0.000536 0.002807 -0.002329 -0.000990 33O 1pz 0.000003 0.000000 0.000006 0.000018 0.000032 -0.000001 33O 1px -0.000002 -0.000015 -0.000004 0.000002 -0.000029 -0.000007 33O 1py -0.000004 -0.000005 0.000001 0.000009 0.000017 -0.000008 33O 2pz 0.000002 -0.000058 0.000014 0.000203 -0.000301 -0.000014 33O 2px -0.000007 0.000116 -0.000026 -0.000548 0.000312 0.000028 33O 2py 0.000022 0.000011 0.000004 -0.000071 -0.000120 0.000042 33O 3pz -0.000921 -0.000244 0.000810 -0.001066 -0.000543 0.000017 33O 3px 0.000863 0.000518 -0.000425 -0.001288 0.000741 0.000144 33O 3py -0.000394 0.000041 0.000316 -0.001175 0.000301 0.000105 33O 1dz2 -0.000009 0.000002 0.000001 0.000022 -0.000013 0.000006 33O 1dxz 0.000004 -0.000001 0.000009 -0.000022 -0.000005 0.000007 33O 1dyz -0.000008 0.000006 0.000002 0.000044 0.000002 -0.000002 33O 1dx2y2 0.000009 0.000004 -0.000005 0.000016 0.000008 0.000002 33O 1dxy 0.000007 0.000005 0.000002 0.000011 -0.000003 0.000002 33O 2dz2 0.000023 -0.000005 0.000003 -0.000146 0.000055 -0.000030 33O 2dxz 0.000010 0.000050 -0.000059 -0.000025 0.000116 -0.000016 33O 2dyz 0.000021 -0.000025 -0.000005 -0.000197 -0.000025 0.000002 33O 2dx2y2 -0.000039 -0.000051 0.000031 0.000069 -0.000085 -0.000001 33O 2dxy -0.000011 -0.000017 -0.000014 -0.000010 0.000033 -0.000023 33O 1f0 0.000000 0.000005 0.000001 -0.000012 0.000003 0.000001 33O 1f+1 0.000011 0.000007 -0.000003 -0.000007 0.000006 0.000001 33O 1f-1 -0.000006 -0.000002 0.000000 -0.000057 -0.000004 0.000006 33O 1f+2 -0.000004 -0.000011 0.000002 0.000003 -0.000011 0.000000 33O 1f-2 0.000009 0.000001 -0.000004 0.000019 0.000004 -0.000003 33O 1f+3 0.000002 -0.000007 -0.000001 -0.000024 -0.000007 -0.000001 33O 1f-3 0.000006 0.000001 0.000001 -0.000041 0.000007 -0.000007 34O 1s -0.000005 -0.000011 -0.000095 -0.000539 -0.028932 0.434672 34O 2s -0.000007 -0.000011 -0.000137 -0.000778 -0.042498 0.638585 34O 3s -0.000024 -0.000054 -0.000033 -0.000085 -0.002209 0.032452 34O 4s -0.000037 0.000230 0.000152 0.000088 0.001732 -0.025032 34O 5s 0.001202 -0.000220 -0.000780 -0.002648 0.000532 0.011752 34O 1pz 0.000004 -0.000003 -0.000010 0.000011 0.000032 -0.000368 34O 1px -0.000014 -0.000001 0.000000 0.000043 -0.000114 0.001624 34O 1py -0.000005 -0.000003 0.000004 -0.000015 -0.000014 0.000050 34O 2pz -0.000012 0.000017 0.000052 -0.000057 -0.000055 0.000593 34O 2px 0.000136 -0.000049 0.000016 -0.000446 0.000428 -0.004561 34O 2py -0.000005 0.000030 -0.000002 0.000127 -0.000040 0.000469 34O 3pz -0.000180 0.000036 0.000073 0.000483 -0.000286 -0.001184 34O 3px 0.000627 0.001062 0.000005 -0.001022 0.000162 -0.000488 34O 3py 0.000034 -0.000597 -0.000111 0.000173 0.000363 0.001835 34O 1dz2 0.000002 -0.000006 -0.000003 -0.000001 0.000008 -0.000108 34O 1dxz 0.000003 0.000008 -0.000003 0.000002 -0.000002 -0.000015 34O 1dyz 0.000009 0.000000 0.000001 -0.000003 0.000014 0.000019 34O 1dx2y2 -0.000001 -0.000004 -0.000010 0.000014 -0.000002 0.000194 34O 1dxy -0.000001 -0.000014 -0.000000 0.000008 0.000011 -0.000086 34O 2dz2 -0.000039 0.000016 0.000003 0.000059 -0.000063 0.000652 34O 2dxz -0.000021 -0.000020 0.000021 -0.000006 0.000009 0.000083 34O 2dyz -0.000033 0.000005 0.000003 0.000014 -0.000055 -0.000150 34O 2dx2y2 0.000054 0.000017 0.000046 -0.000158 0.000051 -0.001129 34O 2dxy -0.000010 0.000032 0.000013 0.000005 -0.000071 0.000506 34O 1f0 0.000001 -0.000004 -0.000009 0.000003 0.000006 -0.000018 34O 1f+1 -0.000009 -0.000005 -0.000004 0.000013 -0.000006 0.000102 34O 1f-1 0.000002 0.000004 0.000003 -0.000003 0.000003 -0.000015 34O 1f+2 -0.000002 0.000003 0.000002 0.000001 0.000006 0.000024 34O 1f-2 -0.000001 -0.000001 -0.000002 -0.000001 0.000005 -0.000008 34O 1f+3 -0.000010 0.000003 -0.000001 0.000009 -0.000011 0.000116 34O 1f-3 0.000007 0.000013 0.000000 -0.000007 0.000007 -0.000076 35O 1s -0.000010 0.000004 -0.006065 0.435604 0.000071 0.000540 35O 2s -0.000012 0.000008 -0.008904 0.639942 0.000106 0.000808 35O 3s -0.000022 -0.000007 -0.000503 0.032471 -0.000013 -0.000015 35O 4s -0.000035 0.000093 0.000421 -0.025041 0.000130 0.000061 35O 5s 0.000880 -0.000326 0.001282 0.011821 -0.000758 -0.002304 35O 1pz 0.000005 -0.000004 0.000015 -0.000304 -0.000012 0.000017 35O 1px -0.000010 0.000003 -0.000031 0.001602 -0.000000 0.000041 35O 1py -0.000003 -0.000000 -0.000003 0.000412 -0.000000 0.000018 35O 2pz -0.000010 -0.000002 -0.000006 0.000135 0.000057 -0.000120 35O 2px 0.000080 -0.000121 0.000195 -0.004333 0.000022 -0.000376 35O 2py 0.000040 -0.000044 0.000073 -0.001546 -0.000009 -0.000167 35O 3pz -0.000194 0.000514 -0.000523 -0.001954 0.000062 0.000268 35O 3px 0.000536 0.001152 0.000283 -0.000199 -0.000057 -0.000795 35O 3py 0.000041 0.000669 -0.000221 -0.001279 0.000032 -0.000481 35O 1dz2 -0.000001 0.000002 -0.000009 -0.000136 -0.000002 -0.000002 35O 1dxz 0.000007 0.000021 -0.000000 0.000055 -0.000003 -0.000000 35O 1dyz -0.000005 0.000003 -0.000016 -0.000014 0.000005 -0.000003 35O 1dx2y2 -0.000003 -0.000005 0.000002 0.000133 -0.000009 0.000015 35O 1dxy 0.000001 0.000008 -0.000002 0.000155 -0.000001 -0.000004 35O 2dz2 -0.000015 -0.000001 0.000021 0.000742 -0.000003 0.000051 35O 2dxz -0.000029 -0.000069 0.000013 -0.000273 0.000018 -0.000020 35O 2dyz 0.000019 -0.000019 0.000071 0.000009 -0.000023 0.000008 35O 2dx2y2 0.000036 0.000003 0.000009 -0.000770 0.000046 -0.000130 35O 2dxy 0.000022 -0.000042 0.000037 -0.000873 -0.000010 -0.000049 35O 1f0 -0.000002 -0.000007 -0.000002 0.000018 -0.000008 0.000005 35O 1f+1 -0.000006 0.000004 -0.000002 0.000096 -0.000002 0.000010 35O 1f-1 -0.000002 -0.000003 -0.000010 0.000042 0.000005 0.000001 35O 1f+2 0.000001 0.000006 0.000006 -0.000020 0.000002 -0.000002 35O 1f-2 0.000004 0.000008 -0.000002 -0.000021 0.000003 -0.000004 35O 1f+3 -0.000002 0.000005 -0.000001 0.000048 -0.000003 0.000004 35O 1f-3 -0.000010 -0.000003 -0.000002 0.000132 0.000000 0.000010 18 19 20 21 22 23 -19.06557 -19.06555 -19.06525 -19.06515 -17.66407 -17.66401 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s -0.000003 -0.000001 0.000003 -0.000000 0.000000 -0.000013 0Rh 2s -0.000035 -0.000011 0.000037 -0.000006 -0.000001 0.000050 0Rh 3s -0.000043 -0.000012 0.000044 -0.000007 -0.000000 -0.000032 0Rh 4s 0.000140 0.000037 -0.000145 0.000019 0.000002 -0.000068 0Rh 5s -0.000250 -0.000036 0.000256 -0.000005 -0.000003 -0.000008 0Rh 6s 0.000354 0.000054 -0.000362 0.000011 0.000003 0.000003 0Rh 7s -0.001277 -0.000294 0.001201 -0.000247 0.000027 -0.000000 0Rh 8s -0.000224 -0.000048 0.000334 0.000148 -0.000011 0.000014 0Rh 1pz 0.000000 0.000002 -0.000000 0.000004 0.000249 -0.078075 0Rh 1px -0.000001 0.000003 0.000001 0.000002 0.000353 -0.113427 0Rh 1py 0.000000 -0.000004 0.000000 0.000003 -0.001359 0.437563 0Rh 2pz -0.000001 -0.000010 0.000000 -0.000020 -0.000577 0.180665 0Rh 2px 0.000005 -0.000017 -0.000004 -0.000010 -0.000817 0.262474 0Rh 2py -0.000001 0.000021 -0.000001 -0.000016 0.003145 -1.012543 0Rh 3pz 0.000005 0.000059 -0.000002 0.000114 -0.000026 0.008458 0Rh 3px -0.000033 0.000096 0.000025 0.000060 -0.000034 0.012303 0Rh 3py 0.000008 -0.000119 0.000008 0.000092 0.000135 -0.047469 0Rh 4pz -0.000018 -0.000105 0.000014 -0.000214 -0.000002 -0.000718 0Rh 4px 0.000082 -0.000213 -0.000067 -0.000135 -0.000008 -0.001090 0Rh 4py -0.000010 0.000229 -0.000016 -0.000181 0.000022 0.004240 0Rh 5pz 0.000052 0.000004 -0.000051 0.000082 0.000009 0.000369 0Rh 5px -0.000107 0.000252 0.000094 0.000173 0.000018 0.000570 0Rh 5py -0.000020 -0.000109 0.000003 0.000112 -0.000060 -0.002172 0Rh 6pz -0.000093 -0.000892 -0.000191 -0.002114 -0.000062 -0.000053 0Rh 6px 0.000706 -0.002769 -0.000437 -0.001921 -0.000164 -0.000279 0Rh 6py -0.000247 0.002435 -0.000202 -0.002007 0.000442 0.000794 0Rh 1dz2 0.000002 0.000000 0.000002 -0.000002 -0.000000 0.000011 0Rh 1dxz -0.000001 -0.000000 0.000001 -0.000000 0.000000 -0.000018 0Rh 1dyz 0.000004 0.000003 0.000005 -0.000002 0.000001 -0.000090 0Rh 1dx2y2 0.000001 0.000002 0.000000 0.000001 0.000001 -0.000112 0Rh 1dxy 0.000003 0.000001 0.000002 -0.000000 -0.000002 0.000185 0Rh 2dz2 -0.000009 0.000000 -0.000008 0.000006 0.000000 0.000006 0Rh 2dxz 0.000003 0.000000 -0.000004 0.000001 -0.000001 -0.000009 0Rh 2dyz -0.000021 -0.000007 -0.000022 0.000005 -0.000003 -0.000044 0Rh 2dx2y2 -0.000004 -0.000007 -0.000002 -0.000006 -0.000003 -0.000055 0Rh 2dxy -0.000012 -0.000001 -0.000011 -0.000001 0.000007 0.000085 0Rh 3dz2 0.000024 -0.000004 0.000023 -0.000007 -0.000001 0.000000 0Rh 3dxz -0.000009 0.000004 0.000011 0.000000 0.000003 -0.000000 0Rh 3dyz 0.000059 0.000003 0.000064 0.000004 0.000008 -0.000003 0Rh 3dx2y2 0.000012 0.000011 0.000007 0.000011 0.000008 -0.000004 0Rh 3dxy 0.000035 -0.000004 0.000032 0.000007 -0.000020 0.000005 0Rh 4dz2 -0.000050 0.000021 -0.000062 -0.000046 0.000002 -0.000000 0Rh 4dxz 0.000021 -0.000036 -0.000017 -0.000016 -0.000007 -0.000002 0Rh 4dyz -0.000146 0.000082 -0.000150 -0.000102 -0.000017 -0.000000 0Rh 4dx2y2 -0.000044 0.000039 -0.000009 0.000004 -0.000015 -0.000001 0Rh 4dxy -0.000073 0.000053 -0.000063 -0.000027 0.000041 0.000007 0Rh 5dz2 0.000090 0.000013 0.000337 0.000039 -0.000002 0.000006 0Rh 5dxz -0.000073 0.000008 -0.000002 -0.000051 0.000015 0.000003 0Rh 5dyz 0.000544 -0.000035 0.000541 0.000054 0.000028 -0.000018 0Rh 5dx2y2 0.000305 -0.000036 -0.000077 0.000023 0.000021 -0.000021 0Rh 5dxy 0.000167 0.000019 0.000084 -0.000021 -0.000062 0.000027 0Rh 1f0 -0.000006 -0.000008 -0.000006 0.000007 0.000002 -0.000033 0Rh 1f+1 0.000007 0.000001 -0.000007 -0.000003 0.000000 -0.000008 0Rh 1f-1 -0.000005 -0.000004 -0.000015 0.000016 0.000001 0.000010 0Rh 1f+2 -0.000009 -0.000014 0.000010 -0.000008 0.000001 -0.000037 0Rh 1f-2 -0.000005 -0.000003 0.000001 -0.000003 0.000001 -0.000035 0Rh 1f+3 0.000011 0.000003 -0.000003 -0.000002 -0.000001 0.000045 0Rh 1f-3 -0.000012 -0.000009 -0.000009 0.000002 0.000000 -0.000040 1Rh 1s -0.000001 -0.000003 0.000000 -0.000003 0.000013 0.000000 1Rh 2s -0.000009 -0.000036 0.000006 -0.000037 -0.000050 0.000000 1Rh 3s -0.000009 -0.000043 0.000006 -0.000044 0.000032 0.000001 1Rh 4s 0.000028 0.000142 -0.000017 0.000145 0.000068 -0.000001 1Rh 5s -0.000020 -0.000252 0.000001 -0.000256 0.000008 0.000003 1Rh 6s 0.000031 0.000356 -0.000006 0.000362 -0.000002 -0.000003 1Rh 7s -0.000213 -0.001295 0.000228 -0.001203 -0.000001 -0.000027 1Rh 8s -0.000045 -0.000230 -0.000141 -0.000336 -0.000013 0.000010 1Rh 1pz -0.000002 -0.000000 0.000004 -0.000000 -0.077909 -0.000235 1Rh 1px -0.000003 0.000001 0.000002 0.000001 -0.113468 -0.000352 1Rh 1py 0.000004 -0.000000 0.000003 0.000000 0.437582 0.001360 1Rh 2pz 0.000010 0.000001 -0.000020 0.000000 0.180281 0.000545 1Rh 2px 0.000017 -0.000004 -0.000010 -0.000004 0.262569 0.000814 1Rh 2py -0.000021 0.000000 -0.000016 -0.000001 -1.012587 -0.003147 1Rh 3pz -0.000059 -0.000008 0.000114 -0.000003 0.008439 0.000027 1Rh 3px -0.000097 0.000027 0.000060 0.000025 0.012307 0.000043 1Rh 3py 0.000119 -0.000001 0.000092 0.000007 -0.047471 -0.000160 1Rh 4pz 0.000105 0.000024 -0.000215 0.000016 -0.000716 -0.000006 1Rh 4px 0.000217 -0.000070 -0.000136 -0.000065 -0.001090 -0.000015 1Rh 4py -0.000228 -0.000002 -0.000181 -0.000014 0.004239 0.000049 1Rh 5pz -0.000002 -0.000052 0.000081 -0.000052 0.000368 0.000011 1Rh 5px -0.000257 0.000093 0.000174 0.000092 0.000570 0.000021 1Rh 5py 0.000106 0.000026 0.000113 0.000001 -0.002172 -0.000073 1Rh 6pz 0.000890 0.000141 -0.002123 -0.000170 -0.000052 -0.000062 1Rh 6px 0.002797 -0.000549 -0.001927 -0.000412 -0.000277 -0.000165 1Rh 6py -0.002432 0.000108 -0.002018 -0.000181 0.000791 0.000446 1Rh 1dz2 0.000000 0.000002 0.000002 -0.000002 -0.000011 0.000000 1Rh 1dxz -0.000000 -0.000001 0.000000 -0.000001 0.000018 -0.000000 1Rh 1dyz 0.000002 0.000004 0.000002 -0.000005 0.000090 -0.000000 1Rh 1dx2y2 0.000002 0.000001 -0.000001 -0.000000 0.000112 -0.000000 1Rh 1dxy 0.000001 0.000003 0.000000 -0.000002 -0.000185 0.000001 1Rh 2dz2 0.000001 -0.000009 -0.000006 0.000008 -0.000006 -0.000001 1Rh 2dxz 0.000000 0.000003 -0.000001 0.000004 0.000009 0.000001 1Rh 2dyz -0.000006 -0.000021 -0.000004 0.000022 0.000044 0.000003 1Rh 2dx2y2 -0.000007 -0.000004 0.000006 0.000002 0.000055 0.000003 1Rh 2dxy -0.000001 -0.000012 0.000001 0.000012 -0.000085 -0.000007 1Rh 3dz2 -0.000006 0.000024 0.000007 -0.000023 -0.000000 0.000001 1Rh 3dxz 0.000004 -0.000009 -0.000000 -0.000011 0.000000 -0.000003 1Rh 3dyz -0.000001 0.000059 -0.000005 -0.000064 0.000004 -0.000008 1Rh 3dx2y2 0.000010 0.000013 -0.000011 -0.000006 0.000004 -0.000008 1Rh 3dxy -0.000006 0.000034 -0.000007 -0.000032 -0.000006 0.000020 1Rh 4dz2 0.000024 -0.000048 0.000046 0.000062 0.000001 -0.000002 1Rh 4dxz -0.000036 0.000019 0.000016 0.000017 0.000002 0.000007 1Rh 4dyz 0.000090 -0.000141 0.000104 0.000150 0.000000 0.000017 1Rh 4dx2y2 0.000041 -0.000042 -0.000003 0.000009 0.000001 0.000015 1Rh 4dxy 0.000057 -0.000070 0.000028 0.000063 -0.000007 -0.000041 1Rh 5dz2 0.000007 0.000090 -0.000041 -0.000337 -0.000006 0.000002 1Rh 5dxz 0.000010 -0.000073 0.000052 0.000001 -0.000002 -0.000015 1Rh 5dyz -0.000065 0.000541 -0.000060 -0.000542 0.000017 -0.000028 1Rh 5dx2y2 -0.000051 0.000304 -0.000024 0.000078 0.000021 -0.000020 1Rh 5dxy 0.000010 0.000168 0.000020 -0.000085 -0.000027 0.000061 1Rh 1f0 0.000008 0.000007 0.000007 -0.000006 -0.000033 0.000002 1Rh 1f+1 -0.000001 -0.000007 -0.000004 -0.000007 -0.000008 0.000000 1Rh 1f-1 0.000004 0.000005 0.000015 -0.000015 0.000010 0.000001 1Rh 1f+2 0.000014 0.000009 -0.000008 0.000010 -0.000037 0.000001 1Rh 1f-2 0.000002 0.000005 -0.000003 0.000001 -0.000035 0.000001 1Rh 1f+3 -0.000003 -0.000011 -0.000002 -0.000003 0.000045 -0.000001 1Rh 1f-3 0.000009 0.000012 0.000002 -0.000010 -0.000040 -0.000000 2C 1s -0.000001 -0.000001 -0.000012 0.000001 -0.000000 -0.000000 2C 2s 0.000005 0.000003 0.000057 -0.000007 0.000001 0.000000 2C 3s -0.000094 -0.000038 -0.000235 0.000060 0.000001 0.000003 2C 4s 0.000541 0.000282 -0.001288 -0.000248 -0.000028 -0.000022 2C 5s -0.000189 0.000628 0.007564 -0.002648 0.000142 0.000251 2C 1pz 0.000002 -0.000007 -0.000121 0.000016 -0.000000 -0.000002 2C 1px 0.000005 -0.000007 -0.000067 0.000006 -0.000001 -0.000000 2C 1py -0.000009 0.000003 -0.000077 0.000011 0.000002 0.000003 2C 2pz 0.000074 0.000159 -0.000894 -0.000171 -0.000039 -0.000007 2C 2px -0.000043 0.000100 0.000607 -0.000021 -0.000014 -0.000003 2C 2py 0.000214 -0.000015 -0.000486 -0.000119 -0.000026 -0.000032 2C 3pz 0.000087 0.000037 0.001155 -0.000647 0.000049 0.000049 2C 3px 0.000129 -0.000148 0.001405 -0.000021 0.000039 0.000000 2C 3py -0.000185 0.000169 0.001036 -0.000398 -0.000021 0.000014 2C 1dz2 -0.000003 0.000008 0.000000 -0.000003 -0.000002 -0.000003 2C 1dxz 0.000003 0.000005 -0.000026 0.000002 -0.000002 -0.000000 2C 1dyz 0.000010 0.000001 -0.000060 -0.000004 0.000000 0.000002 2C 1dx2y2 -0.000008 0.000001 -0.000034 0.000002 -0.000002 -0.000001 2C 1dxy -0.000010 0.000003 -0.000053 0.000001 -0.000001 0.000001 2C 2dz2 0.000011 0.000032 -0.000422 -0.000031 0.000003 0.000007 2C 2dxz 0.000014 -0.000004 -0.000222 -0.000017 0.000011 0.000005 2C 2dyz 0.000030 0.000007 -0.000091 -0.000030 -0.000029 -0.000024 2C 2dx2y2 -0.000017 0.000011 0.000587 0.000019 0.000017 0.000006 2C 2dxy -0.000009 0.000015 0.000264 0.000009 -0.000007 -0.000004 2C 1f0 -0.000007 0.000014 -0.000008 -0.000004 0.000004 0.000002 2C 1f+1 0.000001 0.000012 -0.000105 -0.000004 0.000000 0.000002 2C 1f-1 0.000004 0.000001 -0.000015 0.000003 -0.000002 0.000000 2C 1f+2 -0.000013 0.000003 0.000034 0.000003 0.000001 0.000002 2C 1f-2 0.000008 -0.000007 -0.000040 0.000005 0.000002 -0.000001 2C 1f+3 0.000000 -0.000002 -0.000023 0.000000 0.000001 -0.000002 2C 1f-3 0.000007 0.000002 -0.000052 -0.000005 -0.000002 -0.000001 3C 1s 0.000012 0.000002 0.000001 -0.000001 0.000001 0.000000 3C 2s -0.000058 -0.000008 -0.000004 0.000003 -0.000003 -0.000002 3C 3s 0.000247 0.000066 0.000064 -0.000045 0.000009 -0.000006 3C 4s 0.001236 -0.000219 -0.000385 0.000329 0.000010 0.000070 3C 5s -0.007367 -0.003017 -0.000228 0.000264 -0.000244 -0.000496 3C 1pz 0.000044 0.000011 -0.000006 -0.000007 0.000002 0.000003 3C 1px 0.000069 0.000010 -0.000005 -0.000001 0.000000 -0.000001 3C 1py -0.000134 -0.000020 -0.000007 -0.000000 0.000001 0.000001 3C 2pz 0.000821 -0.000098 0.000053 0.000177 0.000006 0.000008 3C 2px -0.000275 -0.000056 0.000033 0.000067 0.000031 0.000022 3C 2py -0.000710 0.000147 0.000159 -0.000072 -0.000053 -0.000070 3C 3pz -0.000337 -0.000431 -0.000185 -0.000112 -0.000005 -0.000063 3C 3px -0.001510 -0.000204 -0.000095 -0.000056 -0.000102 0.000023 3C 3py 0.001329 0.000695 -0.000075 -0.000120 0.000039 0.000103 3C 1dz2 -0.000045 -0.000002 0.000009 0.000010 -0.000000 0.000002 3C 1dxz -0.000002 -0.000001 -0.000004 0.000009 0.000000 0.000001 3C 1dyz -0.000048 0.000003 0.000001 -0.000004 0.000001 -0.000001 3C 1dx2y2 0.000020 0.000004 0.000006 -0.000002 0.000003 -0.000002 3C 1dxy -0.000057 -0.000002 -0.000003 -0.000005 -0.000004 0.000004 3C 2dz2 0.000235 -0.000001 0.000021 0.000015 -0.000013 -0.000022 3C 2dxz 0.000333 -0.000005 0.000006 0.000009 0.000001 -0.000002 3C 2dyz -0.000036 0.000013 -0.000005 -0.000021 -0.000032 -0.000036 3C 2dx2y2 -0.000666 0.000025 0.000011 -0.000023 -0.000020 -0.000002 3C 2dxy -0.000048 0.000019 -0.000005 -0.000026 0.000002 -0.000024 3C 1f0 0.000006 -0.000004 -0.000003 -0.000002 -0.000002 -0.000001 3C 1f+1 0.000035 -0.000002 0.000001 0.000008 -0.000000 -0.000002 3C 1f-1 0.000021 0.000001 -0.000014 -0.000011 -0.000000 0.000000 3C 1f+2 0.000022 -0.000002 -0.000001 -0.000001 -0.000001 -0.000002 3C 1f-2 -0.000061 -0.000001 0.000003 -0.000005 0.000002 -0.000001 3C 1f+3 0.000097 0.000002 -0.000009 -0.000002 -0.000002 0.000001 3C 1f-3 -0.000045 0.000006 0.000009 -0.000002 -0.000001 0.000001 4C 1s 0.000001 0.000001 -0.000033 -0.000000 -0.000000 -0.000000 4C 2s -0.000004 -0.000004 0.000190 0.000001 0.000002 0.000002 4C 3s -0.000131 -0.000180 0.000097 0.000086 -0.000076 -0.000073 4C 4s 0.000709 0.000974 -0.003746 -0.000395 0.000338 0.000345 4C 5s 0.002172 0.002254 -0.000541 -0.000606 0.000177 0.000147 4C 1pz -0.000038 -0.000013 -0.000167 -0.000002 -0.000004 -0.000001 4C 1px 0.000033 -0.000040 0.000254 -0.000004 0.000006 -0.000007 4C 1py -0.000013 -0.000018 -0.000009 -0.000004 -0.000005 -0.000007 4C 2pz 0.000696 0.000129 -0.004499 -0.000103 0.000054 -0.000003 4C 2px -0.000731 0.000858 0.004917 -0.000113 -0.000107 0.000134 4C 2py 0.000105 0.000426 -0.000846 -0.000101 0.000028 0.000084 4C 3pz 0.001157 0.001630 0.006756 -0.002504 0.000185 0.000209 4C 3px -0.000191 0.000776 -0.001780 -0.001107 -0.000002 0.000043 4C 3py 0.001026 0.000951 0.003515 -0.001926 0.000249 0.000263 4C 1dz2 0.000036 -0.000048 -0.000075 0.000008 -0.000005 -0.000007 4C 1dxz -0.000009 0.000005 0.000343 -0.000018 -0.000006 -0.000002 4C 1dyz -0.000011 0.000020 -0.000114 0.000012 -0.000004 -0.000001 4C 1dx2y2 0.000034 -0.000006 -0.000219 0.000007 0.000004 0.000006 4C 1dxy -0.000016 0.000012 0.000021 -0.000003 0.000003 0.000000 4C 2dz2 -0.000109 -0.000068 -0.000345 0.000070 0.000032 -0.000006 4C 2dxz -0.000451 0.000072 0.003490 0.000185 -0.000030 0.000008 4C 2dyz 0.000074 -0.000067 0.000365 -0.000017 0.000054 0.000018 4C 2dx2y2 0.000101 0.000369 -0.001575 -0.000216 0.000041 0.000032 4C 2dxy -0.000047 0.000308 0.001175 -0.000067 -0.000021 0.000077 4C 1f0 -0.000023 -0.000016 -0.000010 0.000014 -0.000007 -0.000001 4C 1f+1 -0.000026 -0.000046 0.000123 0.000021 -0.000005 -0.000009 4C 1f-1 0.000012 -0.000012 -0.000175 -0.000011 0.000004 -0.000003 4C 1f+2 0.000040 0.000023 -0.000151 -0.000019 0.000010 -0.000004 4C 1f-2 -0.000033 0.000031 0.000168 -0.000006 -0.000006 0.000004 4C 1f+3 0.000037 -0.000029 -0.000119 -0.000009 0.000007 -0.000002 4C 1f-3 -0.000021 -0.000045 -0.000104 0.000020 -0.000001 -0.000013 5C 1s 0.000033 0.000001 -0.000001 0.000001 0.000001 0.000001 5C 2s -0.000190 -0.000004 0.000004 -0.000004 -0.000006 -0.000006 5C 3s -0.000087 0.000080 0.000161 -0.000147 0.000179 0.000185 5C 4s 0.003654 -0.000283 -0.000857 0.000763 -0.000786 -0.000817 5C 5s 0.000421 -0.000509 -0.002121 0.002068 -0.000462 -0.000394 5C 1pz 0.000142 0.000002 0.000019 -0.000006 0.000012 0.000001 5C 1px -0.000234 -0.000015 -0.000023 -0.000042 -0.000012 0.000019 5C 1py -0.000127 -0.000000 -0.000029 0.000016 -0.000016 -0.000010 5C 2pz 0.003337 0.000010 -0.000460 -0.000016 -0.000162 0.000027 5C 2px -0.004394 -0.000138 0.000566 0.000867 0.000249 -0.000313 5C 2py -0.003697 0.000030 0.000472 -0.000272 0.000184 0.000071 5C 3pz -0.004509 -0.001613 -0.000666 0.000947 -0.000324 -0.000357 5C 3px 0.000595 -0.001557 -0.000246 0.000835 -0.000156 -0.000278 5C 3py 0.006256 0.002870 0.001580 -0.001112 0.000593 0.000663 5C 1dz2 -0.000092 -0.000006 -0.000026 -0.000046 0.000005 0.000007 5C 1dxz -0.000243 -0.000016 -0.000005 -0.000004 0.000012 0.000010 5C 1dyz -0.000251 -0.000024 0.000028 0.000021 -0.000006 -0.000006 5C 1dx2y2 0.000062 0.000001 -0.000022 0.000002 -0.000015 -0.000016 5C 1dxy 0.000229 0.000013 -0.000028 -0.000013 -0.000008 -0.000009 5C 2dz2 0.000066 0.000098 0.000201 -0.000046 0.000040 0.000094 5C 2dxz -0.002342 0.000119 0.000352 -0.000018 0.000065 0.000005 5C 2dyz -0.001012 0.000076 0.000098 -0.000065 0.000146 0.000079 5C 2dx2y2 0.000499 -0.000164 -0.000008 0.000426 0.000006 -0.000096 5C 2dxy 0.002981 -0.000052 -0.000229 -0.000119 -0.000073 0.000106 5C 1f0 -0.000196 0.000018 0.000029 -0.000007 0.000024 -0.000004 5C 1f+1 0.000082 0.000017 -0.000007 -0.000053 -0.000003 0.000024 5C 1f-1 -0.000098 -0.000001 -0.000007 -0.000002 0.000004 -0.000005 5C 1f+2 -0.000043 0.000003 0.000006 0.000012 -0.000005 0.000011 5C 1f-2 0.000246 -0.000010 -0.000054 -0.000007 -0.000026 0.000007 5C 1f+3 0.000024 0.000009 0.000020 -0.000041 -0.000003 0.000023 5C 1f-3 -0.000030 -0.000024 -0.000044 0.000027 -0.000016 -0.000014 6C 1s -0.000001 0.000033 -0.000001 0.000001 -0.000001 -0.000001 6C 2s 0.000007 -0.000190 0.000004 -0.000004 0.000006 0.000006 6C 3s 0.000085 -0.000083 0.000145 -0.000161 -0.000184 -0.000180 6C 4s -0.000491 0.003635 -0.000753 0.000858 0.000812 0.000790 6C 5s -0.000532 0.000409 -0.002046 0.002145 0.000390 0.000464 6C 1pz 0.000006 -0.000142 -0.000006 0.000019 0.000001 0.000012 6C 1px 0.000002 0.000234 -0.000042 -0.000022 0.000019 -0.000012 6C 1py -0.000007 0.000127 0.000016 -0.000029 -0.000010 -0.000016 6C 2pz 0.000179 -0.003335 -0.000022 -0.000457 0.000028 -0.000163 6C 2px -0.000111 0.004390 0.000875 0.000549 -0.000314 0.000247 6C 2py -0.000239 0.003690 -0.000267 0.000472 0.000071 0.000185 6C 3pz 0.001351 0.004595 0.000936 -0.000678 -0.000356 -0.000326 6C 3px 0.001579 -0.000510 0.000834 -0.000258 -0.000277 -0.000157 6C 3py -0.002501 -0.006413 -0.001091 0.001594 0.000661 0.000597 6C 1dz2 -0.000001 -0.000092 0.000046 0.000026 -0.000007 -0.000005 6C 1dxz -0.000002 -0.000243 0.000004 0.000005 -0.000010 -0.000012 6C 1dyz -0.000010 -0.000252 -0.000022 -0.000028 0.000006 0.000006 6C 1dx2y2 -0.000002 0.000062 -0.000001 0.000022 0.000016 0.000016 6C 1dxy -0.000000 0.000229 0.000013 0.000027 0.000009 0.000009 6C 2dz2 0.000094 0.000071 0.000044 -0.000202 -0.000093 -0.000041 6C 2dxz 0.000250 -0.002333 0.000015 -0.000350 -0.000005 -0.000066 6C 2dyz 0.000133 -0.001006 0.000064 -0.000097 -0.000078 -0.000146 6C 2dx2y2 -0.000191 0.000492 -0.000426 0.000013 0.000096 -0.000006 6C 2dxy -0.000219 0.002975 0.000122 0.000225 -0.000107 0.000072 6C 1f0 -0.000029 0.000195 -0.000006 0.000029 -0.000005 0.000024 6C 1f+1 -0.000012 -0.000083 -0.000053 -0.000006 0.000024 -0.000003 6C 1f-1 -0.000005 0.000098 -0.000002 -0.000007 -0.000005 0.000004 6C 1f+2 -0.000005 0.000043 0.000012 0.000006 0.000011 -0.000005 6C 1f-2 0.000024 -0.000245 -0.000008 -0.000054 0.000007 -0.000026 6C 1f+3 -0.000008 -0.000024 -0.000041 0.000020 0.000023 -0.000003 6C 1f-3 0.000022 0.000031 0.000026 -0.000044 -0.000014 -0.000016 7C 1s 0.000001 0.000001 0.000001 0.000033 0.000000 0.000000 7C 2s -0.000004 -0.000004 -0.000003 -0.000190 -0.000002 -0.000002 7C 3s -0.000173 -0.000141 -0.000087 -0.000097 0.000073 0.000076 7C 4s 0.000934 0.000768 0.000439 0.003742 -0.000342 -0.000338 7C 5s 0.002136 0.002285 0.000611 0.000543 -0.000148 -0.000180 7C 1pz 0.000011 0.000039 -0.000004 -0.000167 -0.000001 -0.000004 7C 1px 0.000042 -0.000031 -0.000001 0.000255 -0.000007 0.000006 7C 1py 0.000017 0.000013 -0.000004 -0.000009 -0.000007 -0.000005 7C 2pz -0.000090 -0.000703 -0.000155 -0.004493 -0.000003 0.000055 7C 2px -0.000898 0.000686 -0.000055 0.004919 0.000136 -0.000106 7C 2py -0.000421 -0.000130 -0.000111 -0.000855 0.000085 0.000029 7C 3pz -0.001551 -0.001250 -0.002422 0.006794 0.000208 0.000187 7C 3px -0.000784 0.000142 -0.001125 -0.001781 0.000044 -0.000002 7C 3py -0.000886 -0.001082 -0.001889 0.003549 0.000262 0.000252 7C 1dz2 -0.000050 0.000033 -0.000007 0.000074 0.000007 0.000005 7C 1dxz 0.000005 -0.000009 0.000014 -0.000343 0.000002 0.000006 7C 1dyz 0.000020 -0.000010 -0.000010 0.000114 0.000001 0.000004 7C 1dx2y2 -0.000008 0.000033 -0.000005 0.000219 -0.000006 -0.000004 7C 1dxy 0.000012 -0.000015 0.000002 -0.000021 -0.000000 -0.000003 7C 2dz2 -0.000061 -0.000113 -0.000066 0.000344 0.000006 -0.000031 7C 2dxz 0.000097 -0.000450 -0.000226 -0.003487 -0.000009 0.000030 7C 2dyz -0.000069 0.000069 0.000013 -0.000364 -0.000018 -0.000054 7C 2dx2y2 0.000362 0.000123 0.000235 0.001580 -0.000032 -0.000041 7C 2dxy 0.000310 -0.000031 0.000052 -0.001182 -0.000077 0.000021 7C 1f0 0.000015 0.000024 0.000014 -0.000008 -0.000001 -0.000007 7C 1f+1 0.000044 0.000028 0.000022 0.000123 -0.000009 -0.000005 7C 1f-1 0.000013 -0.000011 -0.000014 -0.000175 -0.000003 0.000004 7C 1f+2 -0.000021 -0.000041 -0.000020 -0.000150 -0.000004 0.000010 7C 1f-2 -0.000033 0.000031 -0.000004 0.000169 0.000004 -0.000006 7C 1f+3 0.000031 -0.000036 -0.000011 -0.000118 -0.000002 0.000007 7C 1f-3 0.000044 0.000023 0.000019 -0.000104 -0.000014 -0.000001 8C 1s 0.000001 0.000012 0.000001 -0.000001 -0.000000 -0.000001 8C 2s -0.000005 -0.000058 -0.000003 0.000004 0.000002 0.000003 8C 3s 0.000052 0.000249 0.000044 -0.000066 0.000006 -0.000009 8C 4s -0.000286 0.001229 -0.000322 0.000392 -0.000069 -0.000009 8C 5s -0.002583 -0.007546 -0.000258 0.000229 0.000498 0.000246 8C 1pz -0.000008 -0.000044 -0.000007 -0.000006 0.000003 0.000002 8C 1px -0.000006 -0.000070 -0.000001 -0.000005 -0.000001 0.000000 8C 1py 0.000012 0.000135 -0.000000 -0.000007 0.000001 0.000001 8C 2pz 0.000143 -0.000813 0.000177 0.000051 0.000008 0.000006 8C 2px 0.000040 0.000286 0.000068 0.000031 0.000022 0.000031 8C 2py -0.000186 0.000706 -0.000070 0.000161 -0.000069 -0.000053 8C 3pz 0.000409 0.000363 -0.000114 -0.000184 -0.000063 -0.000005 8C 3px 0.000118 0.001525 -0.000059 -0.000094 0.000023 -0.000102 8C 3py -0.000616 -0.001366 -0.000120 -0.000073 0.000104 0.000039 8C 1dz2 0.000001 -0.000046 -0.000010 -0.000009 -0.000002 0.000000 8C 1dxz -0.000001 -0.000002 -0.000009 0.000004 -0.000001 -0.000000 8C 1dyz 0.000006 -0.000047 0.000004 -0.000001 0.000001 -0.000001 8C 1dx2y2 0.000002 0.000021 0.000001 -0.000006 0.000002 -0.000003 8C 1dxy 0.000001 -0.000057 0.000005 0.000003 -0.000004 0.000004 8C 2dz2 -0.000014 0.000236 -0.000016 -0.000021 0.000022 0.000013 8C 2dxz -0.000024 0.000334 -0.000009 -0.000006 0.000002 -0.000001 8C 2dyz 0.000015 -0.000035 0.000021 0.000005 0.000036 0.000032 8C 2dx2y2 0.000062 -0.000664 0.000023 -0.000011 0.000002 0.000020 8C 2dxy 0.000022 -0.000049 0.000026 0.000005 0.000024 -0.000002 8C 1f0 0.000004 -0.000006 -0.000002 -0.000003 -0.000001 -0.000002 8C 1f+1 0.000004 -0.000035 0.000008 0.000001 -0.000002 -0.000000 8C 1f-1 0.000001 -0.000021 -0.000011 -0.000014 0.000000 -0.000000 8C 1f+2 0.000004 -0.000022 -0.000001 -0.000001 -0.000002 -0.000001 8C 1f-2 -0.000003 0.000061 -0.000005 0.000003 -0.000001 0.000002 8C 1f+3 0.000004 -0.000098 -0.000002 -0.000009 0.000001 -0.000002 8C 1f-3 -0.000008 0.000044 -0.000002 0.000009 0.000001 -0.000001 9C 1s -0.000000 -0.000001 -0.000001 0.000012 0.000000 0.000000 9C 2s 0.000002 0.000005 0.000006 -0.000057 -0.000000 -0.000001 9C 3s -0.000032 -0.000097 -0.000057 0.000235 -0.000003 -0.000000 9C 4s 0.000247 0.000557 0.000262 0.001290 0.000021 0.000026 9C 5s 0.000622 -0.000140 0.002560 -0.007620 -0.000248 -0.000140 9C 1pz 0.000007 -0.000001 0.000015 -0.000120 -0.000002 -0.000000 9C 1px 0.000007 -0.000004 0.000005 -0.000067 -0.000000 -0.000000 9C 1py -0.000004 0.000008 0.000011 -0.000079 0.000003 0.000002 9C 2pz -0.000154 -0.000084 -0.000182 -0.000899 -0.000006 -0.000037 9C 2px -0.000101 0.000040 -0.000013 0.000614 -0.000003 -0.000014 9C 2py 0.000026 -0.000213 -0.000124 -0.000476 -0.000031 -0.000026 9C 3pz -0.000028 -0.000091 -0.000632 0.001156 0.000048 0.000049 9C 3px 0.000156 -0.000120 -0.000002 0.001407 -0.000001 0.000040 9C 3py -0.000176 0.000171 -0.000388 0.001059 0.000015 -0.000021 9C 1dz2 0.000009 -0.000003 0.000003 -0.000001 0.000003 0.000002 9C 1dxz 0.000005 0.000003 -0.000001 0.000026 0.000000 0.000002 9C 1dyz 0.000000 0.000010 0.000005 0.000060 -0.000002 -0.000001 9C 1dx2y2 0.000001 -0.000008 -0.000002 0.000033 0.000001 0.000002 9C 1dxy 0.000003 -0.000010 -0.000001 0.000054 -0.000001 0.000001 9C 2dz2 0.000031 0.000012 0.000036 0.000420 -0.000008 -0.000003 9C 2dxz -0.000006 0.000013 0.000019 0.000224 -0.000005 -0.000011 9C 2dyz 0.000006 0.000031 0.000031 0.000093 0.000024 0.000029 9C 2dx2y2 0.000011 -0.000017 -0.000026 -0.000588 -0.000006 -0.000017 9C 2dxy 0.000016 -0.000008 -0.000011 -0.000268 0.000004 0.000006 9C 1f0 -0.000014 0.000006 -0.000004 -0.000007 0.000002 0.000004 9C 1f+1 -0.000012 -0.000002 -0.000005 -0.000104 0.000002 0.000000 9C 1f-1 -0.000001 -0.000004 0.000003 -0.000015 0.000000 -0.000002 9C 1f+2 -0.000004 0.000013 0.000003 0.000035 0.000002 0.000001 9C 1f-2 0.000008 -0.000007 0.000004 -0.000041 -0.000001 0.000002 9C 1f+3 0.000002 0.000000 -0.000000 -0.000024 -0.000002 0.000001 9C 1f-3 -0.000002 -0.000007 -0.000005 -0.000053 -0.000001 -0.000002 10H 1s -0.000006 -0.000016 -0.000068 0.000004 0.000000 -0.000001 10H 2s 0.000031 0.000024 -0.000613 -0.000030 0.000000 0.000009 10H 3s 0.000077 0.000012 -0.000829 0.000081 -0.000013 -0.000026 10H 1pz 0.000001 -0.000003 -0.000059 -0.000008 -0.000001 0.000000 10H 1px 0.000005 0.000006 0.000049 0.000003 0.000001 -0.000000 10H 1py 0.000001 -0.000004 -0.000062 -0.000007 0.000001 -0.000000 11H 1s -0.000009 0.000005 0.000035 0.000003 -0.000003 0.000000 11H 2s -0.000063 0.000072 0.000299 -0.000015 -0.000021 -0.000008 11H 3s 0.000213 -0.000122 -0.000457 0.000139 0.000029 -0.000030 11H 1pz -0.000026 0.000015 0.000027 -0.000010 -0.000001 0.000001 11H 1px -0.000017 0.000010 0.000086 -0.000001 -0.000004 -0.000002 11H 1py 0.000004 -0.000004 0.000021 -0.000000 0.000005 0.000000 12H 1s -0.000014 -0.000007 0.000004 0.000002 -0.000001 -0.000000 12H 2s 0.000078 0.000019 0.000122 -0.000039 0.000010 -0.000014 12H 3s -0.000032 -0.000005 -0.000454 0.000132 -0.000024 -0.000008 12H 1pz 0.000001 -0.000004 0.000011 -0.000006 -0.000001 0.000000 12H 1px 0.000004 -0.000001 0.000090 -0.000002 0.000000 -0.000002 12H 1py 0.000008 -0.000008 0.000009 -0.000012 0.000000 -0.000003 13H 1s 0.000063 0.000004 0.000007 -0.000016 0.000001 0.000003 13H 2s 0.000535 -0.000018 -0.000009 0.000091 -0.000019 -0.000036 13H 3s 0.000790 0.000123 -0.000068 -0.000056 0.000042 0.000018 13H 1pz 0.000086 -0.000008 0.000005 0.000009 -0.000003 -0.000004 13H 1px -0.000005 0.000000 -0.000007 -0.000004 0.000001 -0.000001 13H 1py -0.000024 0.000006 -0.000002 -0.000005 0.000001 0.000004 14H 1s 0.000009 0.000001 0.000009 0.000001 0.000007 0.000001 14H 2s -0.000010 -0.000035 0.000040 0.000065 -0.000023 -0.000007 14H 3s 0.000412 0.000148 -0.000108 -0.000025 -0.000029 0.000054 14H 1pz 0.000051 -0.000008 0.000017 0.000007 -0.000004 -0.000005 14H 1px -0.000059 -0.000008 0.000019 0.000011 0.000001 -0.000000 14H 1py 0.000025 0.000007 -0.000006 -0.000004 0.000005 0.000000 15H 1s -0.000042 0.000003 0.000003 -0.000007 0.000007 0.000005 15H 2s -0.000335 -0.000006 -0.000045 -0.000013 -0.000004 0.000015 15H 3s 0.000453 0.000160 0.000088 0.000078 -0.000025 0.000014 15H 1pz 0.000023 -0.000002 0.000002 0.000002 -0.000004 -0.000004 15H 1px -0.000069 -0.000000 -0.000006 -0.000004 0.000001 0.000002 15H 1py 0.000048 0.000008 0.000007 0.000016 0.000001 -0.000001 16H 1s 0.000002 -0.000004 -0.000000 -0.000001 0.000001 0.000002 16H 2s 0.000008 -0.000062 0.000021 0.000209 -0.000024 -0.000043 16H 3s 0.000005 0.000007 -0.000102 -0.000023 0.000005 0.000003 16H 1pz 0.000004 -0.000002 -0.000001 0.000047 -0.000005 -0.000008 16H 1px 0.000004 0.000000 0.000006 0.000011 -0.000001 -0.000006 16H 1py -0.000006 0.000008 0.000002 0.000013 0.000000 0.000003 17H 1s -0.000005 0.000013 -0.000003 -0.000005 0.000002 0.000002 17H 2s 0.000075 -0.000293 0.000003 0.000124 -0.000037 -0.000043 17H 3s 0.000021 0.000241 -0.000019 0.000064 0.000014 0.000005 17H 1pz -0.000007 0.000060 -0.000000 -0.000031 0.000007 0.000009 17H 1px -0.000010 0.000029 -0.000002 -0.000047 0.000002 -0.000008 17H 1py 0.000003 -0.000037 -0.000001 0.000025 -0.000002 0.000003 18H 1s 0.000013 -0.000004 0.000005 0.000003 -0.000002 -0.000002 18H 2s -0.000280 0.000058 -0.000134 -0.000000 0.000041 0.000036 18H 3s 0.000238 0.000035 -0.000067 0.000021 -0.000005 -0.000014 18H 1pz -0.000059 0.000004 -0.000033 0.000000 0.000009 0.000007 18H 1px -0.000026 0.000008 -0.000050 -0.000002 -0.000008 0.000001 18H 1py 0.000033 -0.000000 0.000025 -0.000001 0.000004 -0.000002 19H 1s -0.000004 0.000002 0.000001 0.000000 -0.000002 -0.000001 19H 2s -0.000048 0.000005 -0.000214 -0.000018 0.000042 0.000024 19H 3s 0.000011 0.000006 0.000024 0.000103 -0.000003 -0.000005 19H 1pz -0.000003 -0.000004 0.000048 -0.000002 -0.000007 -0.000005 19H 1px 0.000002 -0.000004 0.000011 0.000005 -0.000006 -0.000002 19H 1py -0.000009 0.000005 0.000015 0.000002 0.000003 0.000000 20H 1s 0.000005 -0.000042 0.000007 -0.000003 -0.000005 -0.000007 20H 2s 0.000012 -0.000333 0.000014 0.000045 -0.000015 0.000004 20H 3s 0.000133 0.000462 -0.000077 -0.000087 -0.000015 0.000026 20H 1pz 0.000003 -0.000022 0.000002 0.000002 -0.000004 -0.000004 20H 1px -0.000004 0.000070 -0.000004 -0.000006 0.000002 0.000001 20H 1py -0.000005 -0.000048 0.000016 0.000006 -0.000001 0.000001 21H 1s 0.000001 0.000008 -0.000001 -0.000009 -0.000001 -0.000007 21H 2s -0.000034 -0.000021 -0.000066 -0.000039 0.000007 0.000022 21H 3s 0.000124 0.000424 0.000027 0.000109 -0.000054 0.000030 21H 1pz 0.000011 -0.000050 0.000007 0.000017 -0.000005 -0.000004 21H 1px 0.000005 0.000061 0.000011 0.000019 0.000000 0.000001 21H 1py -0.000006 -0.000025 -0.000004 -0.000006 0.000000 0.000005 22H 1s 0.000000 0.000063 0.000016 -0.000008 -0.000003 -0.000001 22H 2s -0.000049 0.000539 -0.000089 0.000009 0.000036 0.000019 22H 3s 0.000079 0.000799 0.000056 0.000068 -0.000018 -0.000042 22H 1pz 0.000013 -0.000086 0.000009 0.000005 -0.000004 -0.000003 22H 1px -0.000001 0.000006 -0.000004 -0.000007 -0.000001 0.000001 22H 1py -0.000008 0.000025 -0.000005 -0.000002 0.000004 0.000001 23H 1s -0.000006 -0.000014 -0.000002 -0.000006 0.000000 0.000001 23H 2s 0.000015 0.000077 0.000037 -0.000132 0.000013 -0.000011 23H 3s -0.000003 -0.000032 -0.000127 0.000457 0.000007 0.000022 23H 1pz 0.000004 -0.000001 -0.000006 0.000011 0.000000 -0.000001 23H 1px 0.000001 -0.000004 -0.000001 0.000090 -0.000002 0.000000 23H 1py 0.000008 -0.000007 -0.000012 0.000012 -0.000003 0.000000 24H 1s 0.000006 -0.000008 -0.000004 -0.000034 -0.000000 0.000003 24H 2s 0.000077 -0.000058 0.000014 -0.000295 0.000007 0.000020 24H 3s -0.000132 0.000203 -0.000134 0.000461 0.000031 -0.000030 24H 1pz -0.000016 0.000025 -0.000010 0.000025 0.000001 -0.000001 24H 1px -0.000012 0.000016 -0.000000 0.000087 -0.000002 -0.000004 24H 1py 0.000004 -0.000003 0.000000 0.000022 0.000000 0.000005 25H 1s -0.000016 -0.000007 -0.000003 0.000068 0.000001 0.000000 25H 2s 0.000024 0.000031 0.000038 0.000620 -0.000010 -0.000001 25H 3s 0.000006 0.000077 -0.000071 0.000835 0.000024 0.000013 25H 1pz 0.000003 -0.000001 -0.000009 -0.000062 0.000000 -0.000000 25H 1px -0.000005 -0.000006 0.000004 0.000050 -0.000000 0.000001 25H 1py 0.000003 -0.000001 -0.000007 -0.000060 0.000000 0.000001 26O 1s 0.000052 0.000230 0.000137 0.000122 0.000000 0.000000 26O 2s 0.000080 0.000351 0.000231 0.000186 -0.000000 -0.000004 26O 3s -0.000025 -0.000022 -0.000092 -0.000052 0.000005 0.000031 26O 4s 0.000158 0.000031 -0.000264 0.000209 -0.000004 -0.000054 26O 5s -0.000770 -0.002559 -0.002541 0.000654 -0.000082 -0.000306 26O 1pz 0.000005 -0.000009 0.000017 -0.000002 0.000001 0.000013 26O 1px -0.000005 -0.000036 0.000007 -0.000006 0.000001 0.000001 26O 1py 0.000008 -0.000029 0.000010 -0.000004 -0.000002 -0.000007 26O 2pz -0.000006 0.000075 -0.000162 -0.000002 -0.000010 -0.000016 26O 2px 0.000012 0.000369 0.000562 -0.000038 -0.000003 0.000047 26O 2py -0.000053 0.000245 0.000127 -0.000012 0.000010 0.000061 26O 3pz -0.000139 0.000077 -0.001931 -0.000349 0.000036 0.000021 26O 3px 0.000004 0.001185 0.000703 -0.000708 0.000081 0.000239 26O 3py -0.000078 0.000101 -0.000971 -0.000494 -0.000017 -0.000105 26O 1dz2 0.000009 -0.000009 -0.000005 0.000006 -0.000003 0.000009 26O 1dxz 0.000003 -0.000012 -0.000013 0.000000 -0.000001 0.000004 26O 1dyz -0.000000 -0.000002 -0.000045 0.000002 0.000000 0.000011 26O 1dx2y2 0.000001 0.000002 -0.000015 -0.000006 -0.000001 0.000004 26O 1dxy -0.000004 0.000008 -0.000036 -0.000004 0.000001 0.000002 26O 2dz2 -0.000039 0.000102 0.000104 -0.000037 0.000010 -0.000017 26O 2dxz -0.000020 0.000037 0.000137 0.000007 0.000006 -0.000015 26O 2dyz -0.000013 -0.000002 0.000213 -0.000009 0.000000 -0.000039 26O 2dx2y2 -0.000010 -0.000068 -0.000079 0.000039 0.000001 -0.000028 26O 2dxy 0.000029 -0.000110 0.000088 0.000036 -0.000006 -0.000017 26O 1f0 -0.000002 -0.000001 -0.000000 0.000002 0.000002 -0.000008 26O 1f+1 0.000001 -0.000007 -0.000026 -0.000000 -0.000001 -0.000006 26O 1f-1 -0.000003 -0.000002 -0.000018 0.000004 0.000000 -0.000011 26O 1f+2 -0.000001 0.000004 0.000047 -0.000002 -0.000000 0.000003 26O 1f-2 -0.000003 0.000003 -0.000052 -0.000002 -0.000001 -0.000005 26O 1f+3 -0.000008 -0.000000 0.000013 -0.000001 -0.000001 -0.000004 26O 1f-3 0.000006 -0.000016 0.000025 0.000002 -0.000001 -0.000000 27O 1s -0.000281 0.000260 -0.000057 0.000328 -0.000000 -0.000001 27O 2s -0.000443 0.000387 -0.000086 0.000495 0.000000 0.000008 27O 3s 0.000083 -0.000035 0.000010 -0.000025 -0.000005 -0.000063 27O 4s 0.000248 0.000196 -0.000111 0.000056 -0.000005 0.000077 27O 5s 0.002599 0.000609 0.000917 -0.002330 0.000179 0.000780 27O 1pz -0.000006 -0.000001 -0.000002 0.000002 0.000000 -0.000016 27O 1px -0.000008 -0.000009 0.000005 -0.000041 -0.000000 0.000003 27O 1py 0.000019 0.000002 0.000010 0.000024 -0.000002 0.000013 27O 2pz 0.000148 0.000008 -0.000010 -0.000020 0.000007 0.000024 27O 2px -0.000565 -0.000037 -0.000030 0.000396 0.000001 -0.000152 27O 2py -0.000092 0.000007 -0.000045 -0.000174 0.000000 0.000043 27O 3pz 0.001365 -0.000139 0.000071 0.000057 -0.000016 0.000117 27O 3px -0.000391 -0.000727 -0.000126 0.000958 -0.000142 -0.000355 27O 3py -0.001734 0.000352 -0.000072 0.000175 0.000025 -0.000199 27O 1dz2 -0.000030 0.000003 -0.000007 -0.000006 0.000002 0.000008 27O 1dxz 0.000007 0.000002 -0.000005 -0.000014 0.000001 -0.000006 27O 1dyz -0.000039 -0.000004 0.000006 0.000004 -0.000003 0.000032 27O 1dx2y2 0.000011 -0.000007 -0.000000 0.000005 -0.000003 0.000010 27O 1dxy -0.000033 0.000001 -0.000001 -0.000000 0.000001 0.000013 27O 2dz2 0.000051 -0.000024 0.000012 0.000081 -0.000007 -0.000052 27O 2dxz -0.000114 -0.000009 0.000036 0.000077 -0.000009 0.000016 27O 2dyz 0.000157 0.000019 -0.000033 -0.000025 0.000009 -0.000106 27O 2dx2y2 0.000104 0.000049 0.000003 -0.000098 0.000015 0.000005 27O 2dxy 0.000177 -0.000011 0.000008 0.000042 0.000001 -0.000058 27O 1f0 0.000002 -0.000001 -0.000001 0.000000 -0.000002 -0.000015 27O 1f+1 -0.000021 -0.000000 0.000000 -0.000007 0.000000 0.000005 27O 1f-1 0.000013 -0.000002 -0.000003 0.000000 0.000002 -0.000007 27O 1f+2 -0.000025 -0.000004 -0.000005 -0.000004 0.000003 -0.000017 27O 1f-2 -0.000071 -0.000001 0.000001 -0.000000 -0.000001 -0.000016 27O 1f+3 0.000016 0.000001 0.000005 -0.000009 0.000003 0.000018 27O 1f-3 0.000003 -0.000003 0.000007 0.000011 0.000003 -0.000006 28O 1s -0.001313 -0.000318 -0.435636 0.002535 0.000000 0.000000 28O 2s -0.001916 -0.000464 -0.639990 0.003730 -0.000003 -0.000000 28O 3s -0.000139 -0.000045 -0.032507 0.000136 0.000027 0.000002 28O 4s 0.000118 0.000144 0.025248 -0.000066 -0.000041 -0.000000 28O 5s -0.002485 -0.000978 -0.011737 0.001392 -0.000266 -0.000078 28O 1pz -0.000037 0.000005 0.000709 -0.000011 0.000011 0.000001 28O 1px 0.000021 0.000007 -0.001536 -0.000003 0.000008 0.000000 28O 1py -0.000006 0.000001 -0.000160 -0.000008 -0.000006 -0.000002 28O 2pz 0.000338 -0.000016 -0.002559 -0.000048 0.000015 -0.000007 28O 2px -0.000276 -0.000042 0.003989 0.000095 -0.000061 -0.000006 28O 2py 0.000048 0.000018 -0.000024 0.000010 0.000041 0.000011 28O 3pz 0.000303 -0.000040 -0.001808 0.000309 0.000107 0.000071 28O 3px -0.001001 -0.000180 -0.000496 0.000372 -0.000097 -0.000022 28O 3py 0.000167 -0.000068 -0.001330 0.000325 -0.000185 -0.000032 28O 1dz2 0.000003 -0.000006 -0.000021 -0.000008 0.000010 -0.000002 28O 1dxz -0.000006 0.000002 0.000219 -0.000008 0.000002 -0.000002 28O 1dyz -0.000009 0.000006 0.000004 -0.000016 0.000008 0.000000 28O 1dx2y2 0.000010 -0.000006 -0.000116 0.000005 0.000002 -0.000000 28O 1dxy 0.000009 -0.000000 0.000052 -0.000006 0.000007 -0.000001 28O 2dz2 -0.000031 0.000022 0.000118 0.000040 -0.000035 0.000009 28O 2dxz 0.000117 -0.000011 -0.001229 0.000008 0.000012 0.000007 28O 2dyz 0.000033 -0.000039 0.000026 0.000071 -0.000030 -0.000002 28O 2dx2y2 -0.000099 0.000012 0.000690 -0.000010 -0.000013 -0.000002 28O 2dxy -0.000028 0.000012 -0.000251 0.000018 -0.000023 0.000005 28O 1f0 -0.000007 -0.000000 0.000060 -0.000000 -0.000006 -0.000000 28O 1f+1 -0.000012 0.000009 0.000074 0.000001 -0.000007 0.000001 28O 1f-1 0.000003 -0.000003 -0.000004 0.000009 -0.000012 -0.000000 28O 1f+2 0.000010 0.000003 -0.000128 -0.000003 0.000003 0.000001 28O 1f-2 -0.000000 -0.000004 0.000018 0.000003 -0.000003 0.000001 28O 1f+3 0.000004 -0.000000 -0.000067 0.000003 0.000001 0.000000 28O 1f-3 -0.000001 -0.000002 0.000021 0.000000 0.000003 0.000000 29O 1s 0.000005 0.000005 -0.000004 -0.000009 0.000000 0.000000 29O 2s 0.000008 0.000005 -0.000006 -0.000018 -0.000000 -0.000001 29O 3s -0.000007 0.000022 0.000002 0.000075 0.000000 0.000009 29O 4s 0.000050 -0.000227 -0.000015 -0.000332 -0.000006 -0.000036 29O 5s -0.000208 0.001019 0.000054 0.000513 0.000060 0.000120 29O 1pz -0.000000 -0.000012 -0.000004 -0.000011 0.000001 0.000002 29O 1px -0.000003 0.000005 0.000004 0.000020 -0.000001 -0.000001 29O 1py 0.000000 0.000015 -0.000001 0.000000 -0.000001 -0.000004 29O 2pz -0.000001 0.000061 0.000012 0.000023 -0.000004 -0.000011 29O 2px 0.000003 0.000041 -0.000019 -0.000084 0.000008 0.000004 29O 2py -0.000001 -0.000067 0.000004 0.000027 0.000002 0.000015 29O 3pz -0.000061 0.000224 0.000007 0.000342 0.000011 0.000013 29O 3px 0.000006 -0.000275 0.000036 -0.000224 -0.000002 0.000009 29O 3py 0.000089 -0.000300 0.000003 0.000214 -0.000056 -0.000119 29O 1dz2 0.000001 -0.000002 -0.000002 0.000000 -0.000000 -0.000000 29O 1dxz -0.000002 0.000010 0.000003 0.000021 -0.000000 -0.000001 29O 1dyz -0.000002 0.000006 0.000002 0.000005 0.000001 0.000001 29O 1dx2y2 -0.000001 -0.000003 0.000001 -0.000008 0.000000 0.000001 29O 1dxy 0.000004 -0.000013 0.000003 0.000009 -0.000001 -0.000001 29O 2dz2 -0.000002 0.000003 0.000004 -0.000018 0.000001 0.000001 29O 2dxz 0.000003 -0.000017 -0.000011 -0.000086 0.000002 -0.000000 29O 2dyz 0.000010 -0.000042 -0.000005 -0.000014 -0.000002 -0.000000 29O 2dx2y2 0.000001 0.000015 -0.000000 0.000035 -0.000001 -0.000005 29O 2dxy -0.000007 0.000023 -0.000010 -0.000011 -0.000000 0.000005 29O 1f0 0.000000 -0.000004 -0.000001 0.000004 -0.000001 -0.000000 29O 1f+1 -0.000000 -0.000001 -0.000002 -0.000007 0.000000 -0.000000 29O 1f-1 0.000001 0.000000 -0.000001 0.000006 -0.000000 0.000000 29O 1f+2 -0.000002 0.000007 0.000002 0.000002 0.000001 0.000001 29O 1f-2 0.000001 -0.000006 -0.000000 0.000002 -0.000001 0.000000 29O 1f+3 -0.000001 0.000003 -0.000000 -0.000004 0.000001 0.000001 29O 1f-3 -0.000003 0.000009 -0.000001 -0.000002 0.000000 0.000001 30O 1s 0.435457 0.012276 -0.001317 0.000207 -0.000001 -0.000000 30O 2s 0.639741 0.018042 -0.001948 0.000307 0.000008 0.000001 30O 3s 0.032547 0.000865 -0.000052 -0.000005 -0.000066 -0.000008 30O 4s -0.025242 -0.000636 0.000020 0.000116 0.000082 0.000005 30O 5s 0.011896 0.001808 0.002263 -0.000869 0.000771 0.000229 30O 1pz -0.000621 -0.000020 0.000032 0.000005 -0.000011 -0.000000 30O 1px 0.001459 0.000025 -0.000026 0.000009 -0.000015 0.000000 30O 1py 0.000510 0.000022 -0.000027 -0.000001 0.000010 -0.000001 30O 2pz 0.002053 0.000001 -0.000269 -0.000031 -0.000058 0.000002 30O 2px -0.003706 0.000024 0.000253 -0.000037 0.000113 0.000010 30O 2py -0.001970 -0.000003 0.000242 -0.000011 0.000087 0.000003 30O 3pz 0.001152 0.000143 -0.000143 -0.000033 -0.000138 -0.000101 30O 3px 0.000871 0.000524 0.000829 -0.000158 0.000420 0.000112 30O 3py -0.001828 -0.000373 0.000487 0.000083 -0.000053 0.000082 30O 1dz2 -0.000024 0.000004 -0.000006 -0.000007 0.000008 0.000001 30O 1dxz -0.000148 -0.000011 0.000009 0.000001 -0.000006 0.000003 30O 1dyz -0.000095 0.000010 0.000002 0.000003 0.000031 -0.000000 30O 1dx2y2 0.000046 0.000008 -0.000012 -0.000006 0.000009 -0.000000 30O 1dxy 0.000163 0.000016 -0.000000 -0.000004 0.000017 -0.000004 30O 2dz2 0.000133 -0.000019 0.000020 0.000038 -0.000034 -0.000006 30O 2dxz 0.000853 0.000031 -0.000103 -0.000018 -0.000011 -0.000012 30O 2dyz 0.000525 -0.000056 -0.000058 -0.000002 -0.000125 0.000002 30O 2dx2y2 -0.000255 -0.000035 0.000079 0.000023 -0.000019 0.000008 30O 2dxy -0.000962 -0.000052 0.000068 0.000007 -0.000025 0.000015 30O 1f0 -0.000073 -0.000008 0.000010 0.000003 -0.000012 0.000001 30O 1f+1 -0.000017 -0.000000 0.000006 0.000009 0.000003 -0.000001 30O 1f-1 -0.000012 -0.000002 0.000001 0.000002 -0.000006 -0.000001 30O 1f+2 0.000044 -0.000004 -0.000003 0.000004 -0.000020 -0.000003 30O 1f-2 0.000119 -0.000002 -0.000011 -0.000002 -0.000020 0.000001 30O 1f+3 -0.000024 0.000005 0.000002 -0.000002 0.000013 -0.000003 30O 1f-3 0.000092 0.000001 -0.000005 0.000002 -0.000009 -0.000003 31O 1s -0.012279 0.435457 -0.000274 0.001068 0.000000 0.000001 31O 2s -0.018033 0.639742 -0.000405 0.001582 -0.000001 -0.000008 31O 3s -0.000970 0.032544 -0.000000 0.000033 0.000008 0.000066 31O 4s 0.000787 -0.025240 -0.000112 -0.000003 -0.000004 -0.000082 31O 5s 0.001134 0.011984 0.000838 -0.002272 -0.000225 -0.000772 31O 1pz -0.000015 0.000622 0.000005 0.000032 -0.000000 -0.000011 31O 1px 0.000057 -0.001458 0.000009 -0.000026 0.000000 -0.000015 31O 1py 0.000006 -0.000510 -0.000002 -0.000027 -0.000001 0.000010 31O 2pz 0.000115 -0.002051 -0.000034 -0.000267 0.000003 -0.000058 31O 2px -0.000233 0.003699 -0.000034 0.000251 0.000009 0.000113 31O 2py -0.000108 0.001966 -0.000008 0.000240 0.000003 0.000087 31O 3pz -0.000076 -0.001160 -0.000035 -0.000141 -0.000101 -0.000139 31O 3px -0.000474 -0.000900 -0.000146 0.000829 0.000109 0.000421 31O 3py 0.000268 0.001849 0.000088 0.000483 0.000083 -0.000052 31O 1dz2 0.000005 -0.000023 0.000007 0.000006 -0.000000 -0.000008 31O 1dxz -0.000002 -0.000148 -0.000001 -0.000009 -0.000003 0.000006 31O 1dyz 0.000015 -0.000094 -0.000003 -0.000002 0.000001 -0.000031 31O 1dx2y2 0.000006 0.000046 0.000006 0.000012 0.000000 -0.000009 31O 1dxy 0.000007 0.000163 0.000004 0.000000 0.000004 -0.000017 31O 2dz2 -0.000027 0.000131 -0.000038 -0.000020 0.000006 0.000034 31O 2dxz -0.000017 0.000854 0.000019 0.000101 0.000012 0.000011 31O 2dyz -0.000086 0.000521 0.000002 0.000057 -0.000002 0.000125 31O 2dx2y2 -0.000020 -0.000257 -0.000024 -0.000079 -0.000009 0.000019 31O 2dxy 0.000002 -0.000963 -0.000008 -0.000066 -0.000015 0.000025 31O 1f0 0.000004 0.000074 0.000003 0.000010 0.000001 -0.000012 31O 1f+1 -0.000001 0.000017 0.000009 0.000006 -0.000001 0.000003 31O 1f-1 0.000001 0.000013 0.000002 0.000001 -0.000001 -0.000006 31O 1f+2 0.000006 -0.000043 0.000004 -0.000003 -0.000003 -0.000020 31O 1f-2 0.000009 -0.000119 -0.000002 -0.000010 0.000001 -0.000020 31O 1f+3 -0.000006 0.000024 -0.000002 0.000002 -0.000003 0.000013 31O 1f-3 0.000004 -0.000092 0.000002 -0.000005 -0.000003 -0.000009 32O 1s 0.000005 0.000005 0.000008 0.000003 -0.000000 -0.000000 32O 2s 0.000006 0.000008 0.000017 0.000005 0.000001 0.000000 32O 3s 0.000024 -0.000006 -0.000076 -0.000001 -0.000009 -0.000000 32O 4s -0.000232 0.000037 0.000332 0.000011 0.000036 0.000007 32O 5s 0.001006 -0.000150 -0.000502 -0.000049 -0.000118 -0.000059 32O 1pz 0.000013 0.000001 -0.000011 -0.000004 0.000002 0.000001 32O 1px -0.000005 0.000002 0.000020 0.000004 -0.000001 -0.000001 32O 1py -0.000014 -0.000001 0.000000 -0.000001 -0.000004 -0.000001 32O 2pz -0.000064 -0.000002 0.000022 0.000011 -0.000011 -0.000003 32O 2px -0.000037 -0.000006 -0.000086 -0.000018 0.000004 0.000008 32O 2py 0.000060 0.000005 0.000030 0.000004 0.000015 0.000003 32O 3pz -0.000229 0.000048 0.000338 0.000003 0.000014 0.000012 32O 3px 0.000275 0.000010 -0.000227 0.000040 0.000009 -0.000001 32O 3py 0.000296 -0.000071 0.000220 -0.000001 -0.000118 -0.000056 32O 1dz2 -0.000002 0.000001 -0.000000 0.000002 0.000000 0.000000 32O 1dxz 0.000011 -0.000001 -0.000022 -0.000003 0.000001 0.000000 32O 1dyz 0.000006 -0.000002 -0.000005 -0.000002 -0.000001 -0.000001 32O 1dx2y2 -0.000003 -0.000001 0.000008 -0.000001 -0.000001 -0.000000 32O 1dxy -0.000014 0.000003 -0.000009 -0.000003 0.000001 0.000001 32O 2dz2 0.000002 -0.000002 0.000019 -0.000004 -0.000001 -0.000001 32O 2dxz -0.000018 0.000002 0.000088 0.000010 0.000000 -0.000002 32O 2dyz -0.000043 0.000007 0.000014 0.000005 0.000001 0.000002 32O 2dx2y2 0.000016 0.000001 -0.000035 0.000001 0.000005 0.000001 32O 2dxy 0.000027 -0.000006 0.000010 0.000010 -0.000005 0.000000 32O 1f0 0.000004 0.000000 0.000003 -0.000001 -0.000000 -0.000001 32O 1f+1 0.000000 0.000000 -0.000007 -0.000001 -0.000000 0.000000 32O 1f-1 -0.000001 -0.000001 0.000007 -0.000001 0.000000 -0.000000 32O 1f+2 -0.000007 0.000001 0.000001 0.000002 0.000001 0.000001 32O 1f-2 0.000006 -0.000000 0.000002 -0.000000 0.000000 -0.000001 32O 1f+3 -0.000002 0.000001 -0.000004 -0.000000 0.000001 0.000001 32O 1f-3 -0.000009 0.000002 -0.000002 -0.000001 0.000001 0.000000 33O 1s -0.000170 -0.001075 0.002538 0.435637 -0.000000 -0.000000 33O 2s -0.000247 -0.001566 0.003721 0.639991 0.000000 0.000003 33O 3s -0.000031 -0.000123 0.000242 0.032507 -0.000002 -0.000027 33O 4s 0.000133 0.000110 -0.000229 -0.025251 -0.000000 0.000041 33O 5s -0.000830 -0.002535 -0.001255 0.011758 0.000076 0.000267 33O 1pz -0.000007 0.000037 -0.000003 0.000708 0.000001 0.000011 33O 1px -0.000006 -0.000023 -0.000021 -0.001537 0.000000 0.000008 33O 1py -0.000001 0.000006 -0.000010 -0.000158 -0.000002 -0.000006 33O 2pz 0.000036 -0.000339 -0.000078 -0.002556 -0.000007 0.000015 33O 2px 0.000027 0.000282 0.000142 0.003991 -0.000005 -0.000061 33O 2py -0.000015 -0.000049 0.000009 -0.000028 0.000011 0.000041 33O 3pz 0.000057 -0.000298 0.000288 -0.001807 0.000070 0.000106 33O 3px 0.000122 0.001011 0.000366 -0.000503 -0.000021 -0.000098 33O 3py 0.000077 -0.000165 0.000309 -0.001333 -0.000031 -0.000185 33O 1dz2 -0.000006 0.000002 0.000008 0.000021 0.000002 -0.000010 33O 1dxz 0.000002 -0.000006 0.000005 -0.000219 0.000002 -0.000002 33O 1dyz 0.000007 -0.000009 0.000016 -0.000004 -0.000000 -0.000008 33O 1dx2y2 -0.000006 0.000010 -0.000004 0.000116 0.000000 -0.000002 33O 1dxy -0.000001 0.000009 0.000005 -0.000052 0.000001 -0.000007 33O 2dz2 0.000024 -0.000030 -0.000041 -0.000116 -0.000009 0.000035 33O 2dxz -0.000017 0.000117 0.000006 0.001228 -0.000007 -0.000011 33O 2dyz -0.000041 0.000031 -0.000071 -0.000026 0.000002 0.000030 33O 2dx2y2 0.000017 -0.000099 0.000002 -0.000691 0.000002 0.000013 33O 2dxy 0.000013 -0.000026 -0.000015 0.000253 -0.000005 0.000023 33O 1f0 -0.000000 0.000007 0.000000 0.000060 -0.000000 -0.000006 33O 1f+1 -0.000010 0.000011 0.000002 0.000073 0.000001 -0.000007 33O 1f-1 0.000003 -0.000003 0.000009 -0.000004 -0.000000 -0.000012 33O 1f+2 -0.000002 -0.000010 -0.000004 -0.000128 0.000001 0.000003 33O 1f-2 0.000004 0.000001 0.000004 0.000018 0.000001 -0.000003 33O 1f+3 0.000000 -0.000004 0.000002 -0.000067 0.000000 0.000001 33O 1f-3 0.000001 0.000001 0.000001 0.000022 -0.000000 0.000003 34O 1s 0.000282 -0.000262 -0.000357 0.000057 0.000001 0.000000 34O 2s 0.000422 -0.000415 -0.000537 0.000087 -0.000008 -0.000001 34O 3s -0.000039 0.000082 0.000023 -0.000011 0.000063 0.000005 34O 4s 0.000181 0.000257 -0.000054 0.000112 -0.000077 0.000004 34O 5s 0.000459 0.002620 0.002320 -0.000948 -0.000779 -0.000185 34O 1pz 0.000001 0.000006 0.000002 -0.000002 -0.000016 -0.000000 34O 1px 0.000008 0.000009 -0.000042 0.000005 0.000003 -0.000000 34O 1py -0.000001 -0.000019 0.000024 0.000010 0.000013 -0.000002 34O 2pz 0.000000 -0.000149 -0.000020 -0.000010 0.000024 0.000007 34O 2px 0.000006 0.000564 0.000396 -0.000035 -0.000152 0.000001 34O 2py -0.000012 0.000092 -0.000174 -0.000043 0.000043 0.000001 34O 3pz 0.000213 -0.001356 0.000059 0.000072 0.000117 -0.000015 34O 3px 0.000700 0.000428 0.000959 -0.000139 -0.000354 -0.000144 34O 3py -0.000448 0.001715 0.000174 -0.000074 -0.000199 0.000024 34O 1dz2 0.000004 -0.000029 0.000006 0.000007 -0.000008 -0.000002 34O 1dxz 0.000002 0.000007 0.000015 0.000005 0.000006 -0.000001 34O 1dyz -0.000002 -0.000039 -0.000004 -0.000006 -0.000032 0.000003 34O 1dx2y2 -0.000007 0.000011 -0.000005 0.000000 -0.000010 0.000003 34O 1dxy 0.000002 -0.000033 0.000000 0.000001 -0.000013 -0.000001 34O 2dz2 -0.000026 0.000050 -0.000081 -0.000011 0.000052 0.000007 34O 2dxz -0.000003 -0.000115 -0.000078 -0.000034 -0.000016 0.000009 34O 2dyz 0.000010 0.000157 0.000025 0.000033 0.000106 -0.000008 34O 2dx2y2 0.000043 0.000106 0.000098 -0.000005 -0.000005 -0.000015 34O 2dxy -0.000021 0.000177 -0.000042 -0.000007 0.000058 -0.000001 34O 1f0 0.000001 -0.000002 0.000000 -0.000001 -0.000015 -0.000002 34O 1f+1 -0.000001 0.000021 -0.000007 0.000000 0.000005 0.000000 34O 1f-1 0.000002 -0.000013 0.000000 -0.000003 -0.000007 0.000002 34O 1f+2 0.000003 0.000025 -0.000004 -0.000005 -0.000017 0.000003 34O 1f-2 -0.000003 0.000071 -0.000000 0.000001 -0.000016 -0.000001 34O 1f+3 0.000000 -0.000016 -0.000009 0.000005 0.000018 0.000003 34O 1f-3 0.000003 -0.000003 0.000011 0.000007 -0.000006 0.000003 35O 1s 0.000235 0.000067 -0.000133 -0.000131 -0.000000 -0.000000 35O 2s 0.000358 0.000102 -0.000202 -0.000224 0.000004 0.000000 35O 3s -0.000020 -0.000026 0.000053 0.000092 -0.000031 -0.000005 35O 4s 0.000024 0.000162 -0.000207 0.000265 0.000054 0.000004 35O 5s -0.002513 -0.000916 -0.000620 0.002544 0.000307 0.000084 35O 1pz 0.000009 -0.000004 -0.000002 0.000017 0.000013 0.000001 35O 1px 0.000035 0.000007 -0.000006 0.000007 0.000001 0.000001 35O 1py 0.000030 -0.000007 -0.000004 0.000010 -0.000007 -0.000002 35O 2pz -0.000075 0.000001 -0.000004 -0.000163 -0.000016 -0.000010 35O 2px -0.000368 -0.000032 -0.000031 0.000562 0.000048 -0.000003 35O 2py -0.000248 0.000039 -0.000011 0.000126 0.000061 0.000010 35O 3pz -0.000084 0.000133 -0.000373 -0.001932 0.000020 0.000036 35O 3px -0.001181 -0.000073 -0.000700 0.000710 0.000239 0.000082 35O 3py -0.000105 0.000071 -0.000506 -0.000969 -0.000105 -0.000018 35O 1dz2 -0.000010 0.000009 -0.000006 0.000005 -0.000009 0.000003 35O 1dxz -0.000012 0.000003 -0.000000 0.000013 -0.000004 0.000001 35O 1dyz -0.000002 -0.000000 -0.000002 0.000045 -0.000011 -0.000000 35O 1dx2y2 0.000002 0.000002 0.000006 0.000015 -0.000004 0.000001 35O 1dxy 0.000008 -0.000003 0.000005 0.000036 -0.000002 -0.000001 35O 2dz2 0.000104 -0.000033 0.000036 -0.000104 0.000017 -0.000010 35O 2dxz 0.000038 -0.000018 -0.000008 -0.000137 0.000015 -0.000006 35O 2dyz -0.000001 -0.000013 0.000007 -0.000213 0.000039 0.000000 35O 2dx2y2 -0.000067 -0.000014 -0.000038 0.000080 0.000028 -0.000001 35O 2dxy -0.000111 0.000023 -0.000037 -0.000088 0.000017 0.000006 35O 1f0 0.000001 0.000002 0.000002 -0.000000 -0.000008 0.000002 35O 1f+1 0.000007 -0.000001 -0.000000 -0.000026 -0.000006 -0.000001 35O 1f-1 0.000002 0.000003 0.000004 -0.000018 -0.000011 -0.000000 35O 1f+2 -0.000004 0.000001 -0.000002 0.000048 0.000003 -0.000000 35O 1f-2 -0.000003 0.000003 -0.000003 -0.000052 -0.000005 -0.000001 35O 1f+3 -0.000000 0.000008 -0.000000 0.000012 -0.000004 -0.000001 35O 1f-3 0.000016 -0.000005 0.000002 0.000025 -0.000000 -0.000001 24 25 26 27 28 29 -17.65802 -17.65796 -17.65329 -17.65323 -11.34668 -11.34662 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s 0.000000 -0.000003 0.000001 -0.000117 0.000001 0.000079 0Rh 2s 0.000000 0.000013 -0.000024 0.000482 0.000007 -0.000392 0Rh 3s 0.000001 -0.000009 -0.000012 -0.000259 0.000010 0.000160 0Rh 4s -0.000002 -0.000018 0.000071 -0.000684 -0.000036 0.000828 0Rh 5s 0.000004 0.000000 -0.000101 0.000019 0.000111 -0.000418 0Rh 6s -0.000005 -0.000002 0.000109 -0.000172 -0.000274 0.000147 0Rh 7s 0.000031 0.000002 0.000603 0.001034 0.001123 -0.000831 0Rh 8s 0.000006 -0.000013 0.000020 -0.000629 0.000269 0.000696 0Rh 1pz 0.000061 -0.429760 0.002627 -0.140189 0.000001 0.000019 0Rh 1px 0.000018 -0.119103 -0.008021 0.428199 -0.000003 -0.000062 0Rh 1py 0.000009 -0.107557 -0.001612 0.085986 0.000000 -0.000010 0Rh 2pz -0.000141 0.994551 -0.006078 0.324438 -0.000004 -0.000048 0Rh 2px -0.000043 0.275628 0.018562 -0.990977 0.000015 0.000160 0Rh 2py -0.000020 0.248914 0.003731 -0.198998 -0.000001 0.000023 0Rh 3pz -0.000019 0.046462 -0.000286 0.015072 0.000026 0.000005 0Rh 3px -0.000005 0.012870 0.000872 -0.046027 -0.000098 -0.000031 0Rh 3py -0.000004 0.011639 0.000173 -0.009241 0.000000 0.000019 0Rh 4pz 0.000036 -0.004170 0.000022 -0.001286 -0.000081 -0.000001 0Rh 4px 0.000008 -0.001142 -0.000061 0.003915 0.000288 0.000031 0Rh 4py 0.000010 -0.001080 -0.000009 0.000784 0.000012 -0.000052 0Rh 5pz -0.000067 0.002140 0.000029 0.000702 0.000125 -0.000003 0Rh 5px -0.000014 0.000579 -0.000096 -0.002121 -0.000411 -0.000014 0Rh 5py -0.000017 0.000547 -0.000022 -0.000412 -0.000042 0.000099 0Rh 6pz 0.000458 -0.000793 -0.000119 -0.000575 0.000155 0.000014 0Rh 6px 0.000068 -0.000142 0.000336 0.001563 -0.000761 -0.000310 0Rh 6py 0.000101 -0.000226 0.000033 0.000120 0.000180 -0.000447 0Rh 1dz2 0.000001 0.000116 0.000003 -0.000104 0.001629 0.387722 0Rh 1dxz -0.000001 -0.000158 0.000004 -0.000153 -0.000067 -0.046686 0Rh 1dyz -0.000000 -0.000042 0.000001 -0.000044 0.001405 0.344994 0Rh 1dx2y2 -0.000000 -0.000035 -0.000005 0.000191 0.001690 0.430493 0Rh 1dxy -0.000000 -0.000058 -0.000002 0.000106 0.001481 0.398526 0Rh 2dz2 -0.000004 0.000047 -0.000003 -0.000079 0.000580 0.141996 0Rh 2dxz 0.000006 -0.000061 -0.000004 -0.000107 -0.000037 -0.017043 0Rh 2dyz 0.000001 -0.000022 -0.000000 -0.000033 0.000505 0.126649 0Rh 2dx2y2 0.000002 -0.000014 0.000006 0.000136 0.000630 0.157399 0Rh 2dxy 0.000002 -0.000023 0.000001 0.000070 0.000545 0.145827 0Rh 3dz2 0.000012 0.000002 0.000015 -0.000003 0.000164 0.027802 0Rh 3dxz -0.000018 -0.000004 0.000019 -0.000009 0.000029 -0.003477 0Rh 3dyz -0.000002 -0.000000 0.000003 -0.000003 0.000134 0.025145 0Rh 3dx2y2 -0.000005 0.000001 -0.000029 0.000006 0.000088 0.030944 0Rh 3dxy -0.000006 -0.000001 -0.000009 0.000003 0.000099 0.028743 0Rh 4dz2 -0.000024 0.000004 -0.000045 0.000007 -0.000118 -0.003151 0Rh 4dxz 0.000037 -0.000007 -0.000058 0.000010 -0.000067 0.000640 0Rh 4dyz 0.000004 -0.000002 -0.000012 0.000004 -0.000103 -0.003606 0Rh 4dx2y2 0.000011 -0.000002 0.000087 -0.000012 0.000041 -0.003680 0Rh 4dxy 0.000011 -0.000002 0.000029 -0.000002 -0.000002 -0.003555 0Rh 5dz2 0.000036 0.000016 0.000119 -0.000046 0.000103 0.002126 0Rh 5dxz -0.000055 -0.000027 0.000158 -0.000057 -0.000052 -0.000856 0Rh 5dyz -0.000007 -0.000003 0.000031 -0.000022 0.000242 0.003911 0Rh 5dx2y2 -0.000018 -0.000007 -0.000236 0.000081 0.000205 0.002735 0Rh 5dxy -0.000016 -0.000010 -0.000079 0.000024 0.000082 0.002881 0Rh 1f0 -0.000001 -0.000009 0.000010 -0.000024 -0.000007 -0.000001 0Rh 1f+1 -0.000000 0.000040 -0.000008 0.000028 0.000007 -0.000006 0Rh 1f-1 0.000002 0.000000 -0.000002 -0.000012 0.000007 0.000007 0Rh 1f+2 -0.000001 -0.000064 -0.000012 -0.000012 0.000028 0.000020 0Rh 1f-2 0.000000 -0.000025 -0.000004 0.000017 -0.000005 -0.000010 0Rh 1f+3 0.000001 0.000020 -0.000014 -0.000033 0.000039 0.000016 0Rh 1f-3 -0.000000 0.000025 -0.000008 -0.000044 0.000020 0.000029 1Rh 1s -0.000003 0.000000 -0.000117 -0.000004 -0.000079 -0.000000 1Rh 2s 0.000012 0.000000 0.000483 -0.000006 0.000392 -0.000010 1Rh 3s -0.000008 0.000001 -0.000259 -0.000022 -0.000160 -0.000009 1Rh 4s -0.000018 -0.000002 -0.000687 0.000046 -0.000827 0.000043 1Rh 5s 0.000001 0.000004 0.000023 -0.000100 0.000416 -0.000115 1Rh 6s -0.000002 -0.000005 -0.000175 0.000103 -0.000145 0.000276 1Rh 7s 0.000003 0.000030 0.001010 0.000641 0.000820 -0.001132 1Rh 8s -0.000015 0.000007 -0.000630 -0.000003 -0.000698 -0.000263 1Rh 1pz 0.429849 0.000060 0.140008 0.002623 0.000019 0.000001 1Rh 1px 0.118944 0.000015 -0.428232 -0.008024 -0.000063 -0.000003 1Rh 1py 0.107376 0.000021 -0.086117 -0.001612 -0.000010 0.000000 1Rh 2pz -0.994758 -0.000140 -0.324018 -0.006071 -0.000048 -0.000003 1Rh 2px -0.275261 -0.000035 0.991053 0.018572 0.000161 0.000014 1Rh 2py -0.248494 -0.000050 0.199300 0.003731 0.000025 -0.000001 1Rh 3pz -0.046472 0.000006 -0.015053 -0.000278 0.000005 0.000026 1Rh 3px -0.012853 0.000001 0.046031 0.000853 -0.000032 -0.000098 1Rh 3py -0.011620 0.000001 0.009255 0.000173 0.000018 -0.000000 1Rh 4pz 0.004171 -0.000035 0.001284 0.000026 -0.000001 -0.000081 1Rh 4px 0.001141 -0.000008 -0.003915 -0.000085 0.000033 0.000288 1Rh 4py 0.001079 -0.000010 -0.000785 -0.000021 -0.000052 0.000013 1Rh 5pz -0.002140 0.000066 -0.000700 -0.000055 -0.000003 0.000125 1Rh 5px -0.000578 0.000014 0.002116 0.000175 -0.000018 -0.000411 1Rh 5py -0.000547 0.000017 0.000412 0.000037 0.000099 -0.000044 1Rh 6pz 0.000794 -0.000458 0.000568 0.000140 0.000015 0.000154 1Rh 6px 0.000143 -0.000067 -0.001549 -0.000395 -0.000310 -0.000758 1Rh 6py 0.000227 -0.000101 -0.000122 -0.000038 -0.000454 0.000179 1Rh 1dz2 0.000115 0.000001 -0.000105 -0.000001 -0.387560 0.001436 1Rh 1dxz -0.000158 -0.000001 -0.000153 -0.000002 0.047148 -0.000310 1Rh 1dyz -0.000042 -0.000000 -0.000044 -0.000000 -0.344358 0.001323 1Rh 1dx2y2 -0.000035 -0.000000 0.000191 0.000002 -0.429874 0.001710 1Rh 1dxy -0.000058 -0.000000 0.000107 0.000002 -0.399847 0.001688 1Rh 2dz2 0.000047 -0.000004 -0.000079 -0.000006 -0.141936 0.000542 1Rh 2dxz -0.000062 0.000006 -0.000107 -0.000008 0.017212 -0.000101 1Rh 2dyz -0.000023 0.000001 -0.000033 -0.000002 -0.126415 0.000496 1Rh 2dx2y2 -0.000014 0.000002 0.000136 0.000011 -0.157172 0.000613 1Rh 2dxy -0.000023 0.000002 0.000070 0.000004 -0.146309 0.000615 1Rh 3dz2 0.000002 0.000012 -0.000004 0.000015 -0.027791 0.000056 1Rh 3dxz -0.000004 -0.000018 -0.000010 0.000019 0.003510 -0.000057 1Rh 3dyz -0.000000 -0.000002 -0.000003 0.000003 -0.025100 0.000065 1Rh 3dx2y2 0.000001 -0.000005 0.000007 -0.000028 -0.030900 0.000156 1Rh 3dxy -0.000001 -0.000006 0.000003 -0.000009 -0.028837 0.000129 1Rh 4dz2 0.000004 -0.000024 0.000009 -0.000044 0.003150 0.000093 1Rh 4dxz -0.000007 0.000037 0.000012 -0.000058 -0.000643 0.000072 1Rh 4dyz -0.000002 0.000004 0.000005 -0.000012 0.003601 0.000075 1Rh 4dx2y2 -0.000002 0.000011 -0.000016 0.000086 0.003675 -0.000070 1Rh 4dxy -0.000002 0.000011 -0.000003 0.000029 0.003565 -0.000026 1Rh 5dz2 0.000015 0.000037 -0.000050 0.000118 -0.002123 -0.000087 1Rh 5dxz -0.000027 -0.000055 -0.000063 0.000156 0.000859 0.000046 1Rh 5dyz -0.000003 -0.000007 -0.000023 0.000031 -0.003907 -0.000212 1Rh 5dx2y2 -0.000007 -0.000018 0.000090 -0.000233 -0.002734 -0.000184 1Rh 5dxy -0.000010 -0.000016 0.000027 -0.000077 -0.002886 -0.000060 1Rh 1f0 0.000009 0.000001 0.000024 -0.000009 -0.000001 -0.000007 1Rh 1f+1 -0.000039 0.000000 -0.000028 0.000007 -0.000006 0.000007 1Rh 1f-1 -0.000000 -0.000002 0.000012 0.000002 0.000007 0.000007 1Rh 1f+2 0.000064 0.000001 0.000012 0.000012 0.000020 0.000028 1Rh 1f-2 0.000025 -0.000000 -0.000017 0.000004 -0.000010 -0.000005 1Rh 1f+3 -0.000020 -0.000001 0.000033 0.000015 0.000016 0.000039 1Rh 1f-3 -0.000025 0.000000 0.000044 0.000010 0.000029 0.000020 2C 1s -0.000001 0.000000 -0.000000 -0.000000 -0.000000 0.000001 2C 2s 0.000003 -0.000002 0.000001 0.000002 0.000000 -0.000006 2C 3s -0.000007 -0.000004 0.000019 0.000018 0.000325 -0.000367 2C 4s -0.000031 0.000053 -0.000215 -0.000213 -0.001933 0.002267 2C 5s 0.000265 -0.000502 0.000276 0.000160 0.000032 0.000235 2C 1pz 0.000001 0.000000 0.000001 0.000001 0.000039 -0.000049 2C 1px 0.000001 -0.000003 -0.000001 0.000001 0.000017 0.000000 2C 1py -0.000001 0.000002 0.000000 0.000001 0.000023 -0.000017 2C 2pz -0.000061 0.000050 -0.000165 -0.000174 -0.001088 0.001253 2C 2px -0.000039 0.000023 -0.000037 -0.000032 -0.000259 0.000223 2C 2py -0.000037 0.000015 -0.000110 -0.000111 -0.000698 0.000729 2C 3pz 0.000033 -0.000104 0.000089 0.000077 -0.000173 0.000105 2C 3px 0.000094 0.000038 0.000060 0.000026 -0.000181 0.000166 2C 3py 0.000060 -0.000045 0.000059 0.000038 0.000015 0.000147 2C 1dz2 0.000003 0.000001 -0.000004 -0.000004 -0.000021 0.000016 2C 1dxz -0.000003 -0.000003 -0.000003 -0.000003 0.000001 0.000013 2C 1dyz -0.000001 -0.000002 -0.000005 -0.000005 -0.000033 0.000037 2C 1dx2y2 -0.000001 -0.000003 0.000003 0.000003 0.000013 -0.000009 2C 1dxy -0.000002 -0.000003 -0.000000 -0.000001 -0.000001 0.000016 2C 2dz2 -0.000031 0.000012 -0.000041 -0.000033 -0.000276 0.000313 2C 2dxz 0.000006 0.000003 0.000002 -0.000023 -0.000170 0.000118 2C 2dyz -0.000032 0.000036 -0.000061 -0.000054 -0.000357 0.000379 2C 2dx2y2 0.000003 0.000015 0.000009 0.000019 0.000058 -0.000116 2C 2dxy -0.000004 0.000019 -0.000001 -0.000018 -0.000106 0.000066 2C 1f0 -0.000002 -0.000001 -0.000005 0.000001 -0.000021 0.000024 2C 1f+1 0.000002 0.000000 -0.000002 -0.000006 -0.000021 0.000022 2C 1f-1 -0.000002 0.000002 -0.000004 -0.000003 -0.000059 0.000071 2C 1f+2 -0.000000 0.000000 0.000005 0.000002 0.000024 -0.000036 2C 1f-2 0.000001 0.000001 0.000002 -0.000004 -0.000027 0.000030 2C 1f+3 -0.000001 -0.000000 0.000000 -0.000002 -0.000014 -0.000001 2C 1f-3 0.000000 -0.000002 -0.000004 -0.000002 0.000002 0.000002 3C 1s -0.000000 -0.000000 -0.000000 -0.000000 0.000000 -0.000001 3C 2s 0.000000 0.000000 0.000001 0.000002 0.000000 0.000006 3C 3s 0.000002 -0.000008 0.000023 0.000020 -0.000180 0.000264 3C 4s -0.000026 0.000049 -0.000230 -0.000230 0.001148 -0.001766 3C 5s 0.000224 -0.000236 0.000053 0.000034 0.000015 0.000287 3C 1pz 0.000002 -0.000003 0.000001 0.000001 -0.000007 0.000011 3C 1px -0.000000 -0.000002 -0.000000 0.000002 -0.000013 -0.000010 3C 1py 0.000000 -0.000001 -0.000002 -0.000002 0.000013 -0.000029 3C 2pz -0.000020 0.000034 -0.000099 -0.000106 0.000370 -0.000461 3C 2px -0.000014 0.000027 -0.000073 -0.000065 0.000122 -0.000312 3C 2py 0.000037 -0.000030 0.000176 0.000180 -0.000546 0.000892 3C 3pz -0.000020 -0.000004 -0.000001 0.000017 -0.000215 0.000083 3C 3px 0.000018 -0.000012 0.000041 0.000005 0.000324 -0.000019 3C 3py -0.000068 0.000046 -0.000049 -0.000053 -0.000149 0.000022 3C 1dz2 0.000003 -0.000002 0.000000 0.000000 -0.000000 0.000012 3C 1dxz 0.000001 -0.000001 -0.000003 -0.000003 0.000000 -0.000013 3C 1dyz -0.000002 0.000001 0.000004 0.000004 -0.000029 0.000026 3C 1dx2y2 0.000001 -0.000003 0.000005 0.000005 -0.000018 0.000001 3C 1dxy 0.000002 0.000001 0.000003 0.000004 0.000010 0.000031 3C 2dz2 -0.000009 0.000008 0.000007 0.000014 -0.000076 0.000077 3C 2dxz -0.000014 0.000008 -0.000006 -0.000029 0.000079 -0.000066 3C 2dyz 0.000033 -0.000031 0.000061 0.000043 -0.000061 0.000209 3C 2dx2y2 -0.000004 0.000002 0.000037 0.000032 -0.000151 0.000256 3C 2dxy 0.000002 -0.000012 0.000022 0.000040 -0.000173 0.000128 3C 1f0 -0.000001 -0.000002 0.000000 0.000001 -0.000028 0.000030 3C 1f+1 -0.000001 0.000002 -0.000003 -0.000000 -0.000014 0.000003 3C 1f-1 0.000005 -0.000002 0.000002 -0.000001 0.000008 -0.000010 3C 1f+2 0.000001 0.000001 0.000004 -0.000001 -0.000024 0.000043 3C 1f-2 -0.000001 -0.000002 0.000002 0.000005 -0.000012 0.000026 3C 1f+3 -0.000002 -0.000001 -0.000002 -0.000007 0.000015 -0.000029 3C 1f-3 -0.000001 0.000001 0.000007 -0.000000 -0.000009 0.000021 4C 1s -0.000001 0.000001 -0.000000 -0.000001 -0.000004 0.000005 4C 2s 0.000006 -0.000005 0.000003 0.000003 0.000026 -0.000031 4C 3s -0.000184 0.000183 0.000036 0.000036 -0.000765 0.000838 4C 4s 0.000803 -0.000821 -0.000487 -0.000485 0.003106 -0.003243 4C 5s 0.000460 -0.000405 -0.000108 -0.000095 0.000690 -0.000881 4C 1pz -0.000017 0.000008 0.000006 0.000004 0.000007 -0.000036 4C 1px 0.000013 0.000020 -0.000003 0.000003 0.000039 0.000030 4C 1py -0.000003 0.000010 0.000002 0.000003 0.000024 -0.000020 4C 2pz 0.000206 -0.000042 -0.000302 -0.000218 -0.000550 0.000867 4C 2px -0.000264 -0.000324 0.000101 -0.000154 -0.000401 -0.000085 4C 2py 0.000012 -0.000135 -0.000140 -0.000186 -0.000523 0.000540 4C 3pz 0.000621 -0.000649 0.000325 0.000224 -0.000191 0.000514 4C 3px 0.000081 -0.000186 -0.000017 0.000067 -0.000481 -0.000543 4C 3py 0.000362 -0.000419 0.000199 0.000166 -0.000465 0.000175 4C 1dz2 -0.000011 0.000010 -0.000009 -0.000007 -0.000019 0.000020 4C 1dxz -0.000010 0.000009 0.000001 -0.000005 -0.000004 0.000023 4C 1dyz -0.000010 0.000009 -0.000016 -0.000016 -0.000042 0.000059 4C 1dx2y2 0.000016 -0.000014 0.000000 0.000002 0.000038 -0.000029 4C 1dxy 0.000002 -0.000005 -0.000003 -0.000006 -0.000011 -0.000001 4C 2dz2 0.000075 0.000048 0.000100 0.000133 0.000271 -0.000306 4C 2dxz -0.000129 -0.000042 0.000138 0.000092 -0.000084 -0.000066 4C 2dyz 0.000102 -0.000093 0.000128 0.000132 0.000662 -0.000808 4C 2dx2y2 0.000054 -0.000096 -0.000126 -0.000141 0.000001 -0.000016 4C 2dxy 0.000003 -0.000122 0.000014 -0.000025 0.000287 -0.000242 4C 1f0 -0.000012 0.000003 0.000014 -0.000007 -0.000041 0.000027 4C 1f+1 -0.000015 0.000018 -0.000002 0.000018 -0.000073 0.000095 4C 1f-1 0.000011 0.000005 -0.000002 -0.000004 -0.000073 0.000064 4C 1f+2 0.000028 0.000004 -0.000016 0.000003 0.000101 -0.000082 4C 1f-2 -0.000006 -0.000010 -0.000010 0.000008 -0.000011 0.000049 4C 1f+3 0.000018 0.000014 -0.000016 0.000010 0.000040 0.000018 4C 1f-3 0.000003 0.000031 0.000002 0.000012 -0.000070 0.000097 5C 1s -0.000000 0.000000 -0.000001 -0.000001 0.000003 -0.000004 5C 2s 0.000003 -0.000002 0.000003 0.000003 -0.000016 0.000023 5C 3s -0.000073 0.000078 0.000011 0.000028 0.000369 -0.000476 5C 4s 0.000323 -0.000358 -0.000365 -0.000461 -0.001269 0.001459 5C 5s 0.000117 -0.000116 -0.000066 -0.000031 -0.000318 0.000009 5C 1pz -0.000007 0.000003 0.000000 0.000001 -0.000010 0.000035 5C 1px 0.000004 0.000009 -0.000000 0.000003 -0.000035 0.000003 5C 1py 0.000003 -0.000001 -0.000003 -0.000003 0.000015 -0.000044 5C 2pz 0.000074 -0.000006 -0.000154 -0.000107 0.000399 -0.000486 5C 2px -0.000081 -0.000141 0.000004 -0.000208 -0.000006 -0.000644 5C 2py -0.000033 -0.000005 0.000238 0.000224 -0.000520 0.000836 5C 3pz 0.000251 -0.000225 0.000104 0.000062 0.000549 -0.000451 5C 3px 0.000113 -0.000104 0.000019 0.000119 0.000445 0.000117 5C 3py -0.000206 0.000178 -0.000139 -0.000129 -0.000721 0.000404 5C 1dz2 -0.000001 -0.000001 0.000002 0.000004 -0.000002 -0.000004 5C 1dxz -0.000001 0.000005 -0.000003 -0.000004 0.000017 -0.000009 5C 1dyz 0.000001 -0.000001 0.000014 0.000014 -0.000034 0.000051 5C 1dx2y2 0.000008 -0.000008 0.000010 0.000007 0.000001 0.000008 5C 1dxy 0.000005 -0.000001 0.000007 0.000010 -0.000007 0.000036 5C 2dz2 -0.000013 0.000064 0.000020 0.000038 0.000218 -0.000011 5C 2dxz -0.000052 -0.000024 0.000105 0.000099 -0.000146 -0.000079 5C 2dyz -0.000053 0.000028 -0.000092 -0.000107 0.000242 -0.000648 5C 2dx2y2 -0.000015 -0.000030 -0.000166 -0.000199 -0.000194 -0.000258 5C 2dxy 0.000000 0.000027 -0.000120 -0.000090 0.000294 -0.000060 5C 1f0 -0.000008 -0.000000 0.000012 -0.000001 0.000009 0.000005 5C 1f+1 -0.000001 0.000010 0.000002 0.000010 0.000045 -0.000052 5C 1f-1 -0.000005 -0.000001 -0.000006 0.000003 -0.000027 -0.000014 5C 1f+2 0.000004 0.000002 -0.000011 0.000016 -0.000053 0.000016 5C 1f-2 0.000010 0.000005 0.000001 -0.000005 -0.000017 0.000093 5C 1f+3 0.000003 0.000012 -0.000011 0.000019 0.000043 -0.000069 5C 1f-3 0.000006 -0.000004 -0.000017 0.000005 -0.000059 0.000020 6C 1s 0.000000 -0.000000 -0.000001 -0.000001 0.000004 -0.000003 6C 2s -0.000002 0.000003 0.000003 0.000004 -0.000023 0.000016 6C 3s 0.000078 -0.000072 0.000028 0.000012 0.000474 -0.000374 6C 4s -0.000358 0.000321 -0.000447 -0.000384 -0.001452 0.001289 6C 5s -0.000115 0.000116 -0.000028 -0.000068 -0.000003 0.000310 6C 1pz -0.000003 0.000007 -0.000001 -0.000001 0.000035 -0.000010 6C 1px -0.000009 -0.000004 -0.000004 0.000000 0.000003 -0.000035 6C 1py 0.000001 -0.000003 0.000003 0.000003 -0.000044 0.000015 6C 2pz 0.000006 -0.000074 0.000100 0.000159 -0.000484 0.000405 6C 2px 0.000141 0.000080 0.000208 0.000003 -0.000645 0.000002 6C 2py 0.000005 0.000033 -0.000215 -0.000247 0.000835 -0.000530 6C 3pz 0.000224 -0.000251 -0.000059 -0.000106 -0.000441 0.000546 6C 3px 0.000103 -0.000112 -0.000118 -0.000024 0.000124 0.000442 6C 3py -0.000178 0.000206 0.000125 0.000144 0.000393 -0.000716 6C 1dz2 -0.000001 -0.000001 0.000004 0.000002 0.000004 0.000002 6C 1dxz 0.000005 -0.000001 -0.000004 -0.000003 0.000009 -0.000017 6C 1dyz -0.000001 0.000001 0.000013 0.000015 -0.000051 0.000034 6C 1dx2y2 -0.000008 0.000008 0.000006 0.000010 -0.000008 -0.000000 6C 1dxy -0.000001 0.000005 0.000010 0.000007 -0.000037 0.000007 6C 2dz2 0.000064 -0.000013 0.000037 0.000021 0.000009 -0.000219 6C 2dxz -0.000024 -0.000052 0.000095 0.000108 0.000080 0.000146 6C 2dyz 0.000028 -0.000053 -0.000103 -0.000096 0.000648 -0.000249 6C 2dx2y2 -0.000030 -0.000015 -0.000192 -0.000173 0.000261 0.000191 6C 2dxy 0.000027 0.000000 -0.000086 -0.000124 0.000059 -0.000295 6C 1f0 0.000000 0.000008 0.000001 -0.000012 0.000005 0.000009 6C 1f+1 -0.000010 0.000001 -0.000010 -0.000002 -0.000052 0.000046 6C 1f-1 0.000001 0.000005 -0.000004 0.000006 -0.000014 -0.000027 6C 1f+2 -0.000002 -0.000004 -0.000016 0.000011 0.000016 -0.000053 6C 1f-2 -0.000005 -0.000010 0.000005 -0.000000 0.000093 -0.000018 6C 1f+3 -0.000012 -0.000003 -0.000020 0.000010 -0.000069 0.000043 6C 1f-3 0.000004 -0.000006 -0.000006 0.000017 0.000020 -0.000060 7C 1s 0.000001 -0.000001 -0.000001 -0.000001 -0.000005 0.000004 7C 2s -0.000005 0.000006 0.000003 0.000003 0.000031 -0.000026 7C 3s 0.000184 -0.000184 0.000035 0.000038 -0.000834 0.000773 7C 4s -0.000823 0.000803 -0.000467 -0.000504 0.003228 -0.003138 7C 5s -0.000403 0.000459 -0.000091 -0.000111 0.000870 -0.000686 7C 1pz -0.000008 0.000017 -0.000003 -0.000006 -0.000037 0.000008 7C 1px -0.000020 -0.000013 -0.000003 0.000003 0.000030 0.000039 7C 1py -0.000010 0.000003 -0.000003 -0.000002 -0.000020 0.000024 7C 2pz 0.000043 -0.000206 0.000206 0.000309 0.000864 -0.000560 7C 2px 0.000323 0.000264 0.000158 -0.000096 -0.000092 -0.000402 7C 2py 0.000135 -0.000012 0.000182 0.000148 0.000539 -0.000532 7C 3pz 0.000650 -0.000619 -0.000212 -0.000335 0.000512 -0.000191 7C 3px 0.000185 -0.000082 -0.000067 0.000014 -0.000548 -0.000478 7C 3py 0.000421 -0.000362 -0.000159 -0.000207 0.000170 -0.000464 7C 1dz2 0.000010 -0.000011 -0.000006 -0.000009 -0.000020 0.000019 7C 1dxz 0.000009 -0.000010 -0.000005 0.000001 -0.000023 0.000004 7C 1dyz 0.000009 -0.000010 -0.000015 -0.000017 -0.000058 0.000043 7C 1dx2y2 -0.000014 0.000016 0.000002 0.000000 0.000028 -0.000038 7C 1dxy -0.000005 0.000002 -0.000006 -0.000003 0.000001 0.000011 7C 2dz2 0.000048 0.000074 0.000129 0.000104 0.000302 -0.000272 7C 2dxz -0.000041 -0.000129 0.000086 0.000141 0.000066 0.000084 7C 2dyz -0.000093 0.000102 0.000127 0.000133 0.000805 -0.000671 7C 2dx2y2 -0.000096 0.000054 -0.000137 -0.000132 0.000014 0.000000 7C 2dxy -0.000122 0.000002 -0.000026 0.000013 0.000241 -0.000289 7C 1f0 -0.000003 0.000012 0.000007 -0.000014 0.000027 -0.000041 7C 1f+1 -0.000018 0.000015 -0.000018 0.000001 0.000094 -0.000073 7C 1f-1 -0.000005 -0.000011 0.000004 0.000002 0.000064 -0.000073 7C 1f+2 -0.000004 -0.000028 -0.000003 0.000016 -0.000081 0.000102 7C 1f-2 0.000010 0.000006 -0.000009 0.000010 0.000049 -0.000011 7C 1f+3 -0.000014 -0.000019 -0.000011 0.000015 0.000018 0.000040 7C 1f-3 -0.000031 -0.000003 -0.000012 -0.000002 0.000097 -0.000071 8C 1s -0.000000 -0.000000 -0.000000 -0.000000 0.000001 -0.000000 8C 2s 0.000000 0.000000 0.000002 0.000001 -0.000006 -0.000000 8C 3s -0.000008 0.000002 0.000019 0.000024 -0.000264 0.000184 8C 4s 0.000050 -0.000025 -0.000221 -0.000239 0.001762 -0.001170 8C 5s -0.000237 0.000222 0.000033 0.000054 -0.000294 0.000009 8C 1pz 0.000003 -0.000002 -0.000001 -0.000002 0.000011 -0.000007 8C 1px 0.000002 0.000000 -0.000002 0.000000 -0.000010 -0.000013 8C 1py 0.000001 -0.000000 0.000002 0.000003 -0.000029 0.000014 8C 2pz -0.000034 0.000020 0.000103 0.000103 -0.000458 0.000375 8C 2px -0.000027 0.000014 0.000062 0.000075 -0.000312 0.000124 8C 2py 0.000030 -0.000036 -0.000173 -0.000182 0.000891 -0.000558 8C 3pz 0.000004 0.000020 -0.000017 0.000001 0.000079 -0.000217 8C 3px 0.000012 -0.000018 -0.000004 -0.000041 -0.000018 0.000328 8C 3py -0.000045 0.000067 0.000051 0.000051 0.000016 -0.000144 8C 1dz2 -0.000002 0.000003 0.000000 0.000000 -0.000012 0.000000 8C 1dxz -0.000001 0.000001 -0.000003 -0.000003 0.000013 -0.000000 8C 1dyz 0.000001 -0.000002 0.000004 0.000004 -0.000026 0.000029 8C 1dx2y2 -0.000003 0.000001 0.000005 0.000005 -0.000000 0.000019 8C 1dxy 0.000001 0.000002 0.000004 0.000004 -0.000031 -0.000010 8C 2dz2 0.000008 -0.000009 0.000014 0.000007 -0.000077 0.000077 8C 2dxz 0.000008 -0.000014 -0.000029 -0.000007 0.000066 -0.000080 8C 2dyz -0.000031 0.000032 0.000040 0.000062 -0.000210 0.000064 8C 2dx2y2 0.000002 -0.000004 0.000030 0.000038 -0.000255 0.000153 8C 2dxy -0.000012 0.000002 0.000039 0.000023 -0.000127 0.000176 8C 1f0 0.000002 0.000001 -0.000001 -0.000000 0.000029 -0.000029 8C 1f+1 -0.000002 0.000001 0.000000 0.000003 0.000003 -0.000014 8C 1f-1 0.000002 -0.000005 0.000001 -0.000002 -0.000009 0.000008 8C 1f+2 -0.000001 -0.000001 0.000001 -0.000003 0.000043 -0.000024 8C 1f-2 0.000002 0.000001 -0.000005 -0.000002 0.000026 -0.000012 8C 1f+3 0.000001 0.000002 0.000007 0.000002 -0.000029 0.000015 8C 1f-3 -0.000001 0.000001 0.000000 -0.000007 0.000022 -0.000009 9C 1s 0.000000 -0.000001 -0.000000 -0.000000 -0.000001 0.000000 9C 2s -0.000002 0.000003 0.000001 0.000002 0.000005 -0.000000 9C 3s -0.000004 -0.000007 0.000018 0.000020 0.000367 -0.000330 9C 4s 0.000054 -0.000031 -0.000205 -0.000223 -0.002261 0.001960 9C 5s -0.000507 0.000264 0.000151 0.000286 -0.000224 -0.000053 9C 1pz -0.000000 -0.000001 -0.000001 -0.000001 -0.000049 0.000040 9C 1px 0.000003 -0.000001 -0.000001 0.000001 0.000000 0.000017 9C 1py -0.000002 0.000001 -0.000001 -0.000000 -0.000017 0.000023 9C 2pz -0.000050 0.000061 0.000167 0.000170 0.001245 -0.001101 9C 2px -0.000023 0.000039 0.000030 0.000038 0.000220 -0.000258 9C 2py -0.000016 0.000038 0.000108 0.000114 0.000729 -0.000711 9C 3pz 0.000104 -0.000032 -0.000073 -0.000092 0.000100 -0.000168 9C 3px -0.000038 -0.000094 -0.000023 -0.000061 0.000163 -0.000188 9C 3py 0.000046 -0.000061 -0.000037 -0.000062 0.000152 0.000011 9C 1dz2 0.000001 0.000003 -0.000004 -0.000004 -0.000016 0.000021 9C 1dxz -0.000003 -0.000003 -0.000003 -0.000003 -0.000013 -0.000001 9C 1dyz -0.000001 -0.000001 -0.000004 -0.000005 -0.000037 0.000034 9C 1dx2y2 -0.000003 -0.000001 0.000003 0.000003 0.000009 -0.000013 9C 1dxy -0.000003 -0.000002 -0.000001 -0.000000 -0.000016 0.000001 9C 2dz2 0.000012 -0.000031 -0.000031 -0.000042 -0.000309 0.000278 9C 2dxz 0.000003 0.000006 -0.000023 0.000002 -0.000116 0.000170 9C 2dyz 0.000036 -0.000032 -0.000052 -0.000063 -0.000379 0.000364 9C 2dx2y2 0.000015 0.000003 0.000019 0.000010 0.000118 -0.000061 9C 2dxy 0.000019 -0.000004 -0.000017 -0.000002 -0.000065 0.000108 9C 1f0 0.000001 0.000002 -0.000001 0.000004 0.000024 -0.000021 9C 1f+1 -0.000000 -0.000002 0.000006 0.000003 0.000022 -0.000021 9C 1f-1 -0.000002 0.000002 0.000002 0.000004 0.000071 -0.000060 9C 1f+2 -0.000000 0.000000 -0.000002 -0.000005 -0.000037 0.000025 9C 1f-2 -0.000001 -0.000001 0.000004 -0.000002 0.000029 -0.000027 9C 1f+3 0.000000 0.000001 0.000002 -0.000000 -0.000001 -0.000014 9C 1f-3 0.000002 -0.000000 0.000001 0.000004 0.000002 0.000002 10H 1s -0.000001 0.000003 0.000004 0.000003 -0.000002 0.000008 10H 2s 0.000020 -0.000037 0.000004 -0.000035 -0.000003 -0.000029 10H 3s -0.000044 0.000023 -0.000013 0.000031 0.000029 -0.000046 10H 1pz 0.000002 -0.000004 0.000002 -0.000003 0.000021 -0.000020 10H 1px -0.000002 0.000001 -0.000002 0.000004 0.000008 0.000011 10H 1py 0.000002 -0.000003 0.000001 -0.000001 0.000013 -0.000012 11H 1s -0.000007 0.000004 -0.000000 -0.000001 0.000006 0.000002 11H 2s 0.000006 0.000014 -0.000021 -0.000005 -0.000043 -0.000042 11H 3s 0.000027 0.000026 0.000042 0.000041 -0.000249 0.000060 11H 1pz 0.000002 0.000000 0.000002 0.000003 -0.000005 -0.000023 11H 1px -0.000003 0.000004 -0.000004 -0.000002 0.000005 -0.000013 11H 1py 0.000003 -0.000001 0.000006 0.000005 -0.000006 -0.000003 12H 1s -0.000007 0.000001 0.000001 0.000000 0.000002 0.000004 12H 2s 0.000015 -0.000000 -0.000029 -0.000001 -0.000080 -0.000088 12H 3s 0.000035 0.000051 0.000035 0.000022 -0.000063 0.000141 12H 1pz 0.000006 -0.000001 0.000005 0.000004 0.000010 -0.000021 12H 1px -0.000003 0.000003 -0.000003 -0.000001 -0.000001 -0.000018 12H 1py 0.000001 -0.000003 -0.000003 0.000001 0.000002 -0.000037 13H 1s 0.000000 -0.000000 0.000003 0.000002 0.000010 -0.000008 13H 2s -0.000004 -0.000007 0.000006 -0.000036 0.000113 0.000023 13H 3s -0.000018 0.000035 0.000001 0.000044 -0.000196 0.000001 13H 1pz -0.000000 0.000000 0.000002 -0.000003 0.000011 0.000020 13H 1px 0.000002 0.000000 -0.000001 0.000004 -0.000022 -0.000004 13H 1py 0.000001 -0.000000 -0.000001 0.000002 0.000014 -0.000021 14H 1s 0.000000 -0.000000 0.000001 0.000001 -0.000005 -0.000002 14H 2s 0.000008 0.000016 -0.000026 0.000002 0.000053 0.000021 14H 3s -0.000033 0.000006 0.000042 0.000022 0.000152 -0.000094 14H 1pz -0.000000 0.000002 -0.000000 0.000002 0.000004 0.000011 14H 1px -0.000000 0.000004 -0.000004 0.000000 -0.000009 0.000024 14H 1py 0.000001 0.000000 -0.000003 -0.000003 0.000003 -0.000024 15H 1s -0.000002 -0.000000 -0.000002 -0.000001 -0.000020 0.000009 15H 2s -0.000025 0.000017 -0.000014 -0.000001 -0.000031 0.000032 15H 3s 0.000018 0.000019 0.000056 0.000046 0.000365 -0.000147 15H 1pz 0.000006 -0.000003 0.000007 0.000005 0.000028 -0.000012 15H 1px -0.000000 0.000001 0.000000 0.000001 -0.000009 0.000009 15H 1py 0.000003 -0.000001 -0.000002 -0.000003 0.000002 -0.000018 16H 1s 0.000002 -0.000003 0.000008 0.000015 -0.000001 0.000018 16H 2s -0.000034 0.000035 -0.000022 0.000056 0.000028 0.000181 16H 3s 0.000018 -0.000004 -0.000010 -0.000025 0.000025 0.000000 16H 1pz -0.000005 -0.000006 -0.000002 0.000006 0.000006 0.000029 16H 1px -0.000003 0.000012 0.000005 0.000006 -0.000007 -0.000035 16H 1py -0.000002 -0.000000 0.000002 -0.000001 0.000001 0.000010 17H 1s -0.000000 0.000001 0.000008 0.000015 -0.000006 -0.000054 17H 2s 0.000000 0.000010 -0.000023 0.000057 0.000010 0.000089 17H 3s -0.000009 0.000004 -0.000009 -0.000027 -0.000015 -0.000160 17H 1pz 0.000001 -0.000007 -0.000001 -0.000008 0.000003 0.000023 17H 1px 0.000004 -0.000012 0.000006 -0.000001 -0.000005 -0.000000 17H 1py 0.000001 -0.000000 0.000001 0.000000 -0.000001 -0.000002 18H 1s 0.000001 -0.000000 0.000015 0.000008 0.000053 0.000005 18H 2s 0.000011 -0.000000 0.000057 -0.000021 -0.000089 -0.000010 18H 3s 0.000005 -0.000010 -0.000027 -0.000010 0.000159 0.000014 18H 1pz 0.000007 -0.000001 0.000008 0.000001 0.000024 0.000003 18H 1px 0.000013 -0.000004 0.000001 -0.000006 -0.000000 -0.000005 18H 1py 0.000000 -0.000001 0.000000 -0.000001 -0.000001 -0.000001 19H 1s -0.000003 0.000002 0.000015 0.000008 -0.000017 0.000001 19H 2s 0.000036 -0.000034 0.000057 -0.000020 -0.000184 -0.000027 19H 3s -0.000003 0.000018 -0.000025 -0.000011 0.000001 -0.000026 19H 1pz 0.000006 0.000005 -0.000006 0.000002 0.000029 0.000006 19H 1px -0.000011 0.000003 -0.000006 -0.000005 -0.000035 -0.000007 19H 1py 0.000000 0.000003 0.000000 -0.000002 0.000012 0.000001 20H 1s -0.000000 -0.000002 -0.000001 -0.000002 -0.000009 0.000020 20H 2s 0.000016 -0.000025 -0.000001 -0.000014 -0.000030 0.000029 20H 3s 0.000020 0.000018 0.000044 0.000058 0.000141 -0.000369 20H 1pz 0.000003 -0.000006 -0.000005 -0.000007 -0.000011 0.000028 20H 1px -0.000001 0.000001 -0.000001 -0.000000 0.000010 -0.000009 20H 1py 0.000001 -0.000003 0.000003 0.000002 -0.000018 0.000002 21H 1s -0.000000 0.000000 0.000001 0.000001 0.000002 0.000005 21H 2s 0.000017 0.000008 0.000003 -0.000025 -0.000023 -0.000054 21H 3s 0.000006 -0.000032 0.000020 0.000043 0.000097 -0.000158 21H 1pz -0.000002 0.000000 -0.000002 0.000000 0.000012 0.000004 21H 1px -0.000004 0.000000 -0.000000 0.000004 0.000024 -0.000010 21H 1py -0.000000 -0.000001 0.000003 0.000003 -0.000023 0.000003 22H 1s -0.000000 0.000000 0.000002 0.000003 0.000008 -0.000010 22H 2s -0.000007 -0.000003 -0.000036 0.000005 -0.000025 -0.000115 22H 3s 0.000035 -0.000018 0.000044 0.000002 0.000000 0.000197 22H 1pz -0.000000 0.000000 0.000003 -0.000002 0.000021 0.000011 22H 1px -0.000000 -0.000002 -0.000004 0.000001 -0.000005 -0.000023 22H 1py 0.000000 -0.000001 -0.000002 0.000001 -0.000021 0.000014 23H 1s 0.000001 -0.000007 -0.000000 0.000001 -0.000004 -0.000002 23H 2s 0.000000 0.000014 0.000000 -0.000029 0.000090 0.000082 23H 3s 0.000051 0.000036 0.000021 0.000036 -0.000145 0.000071 23H 1pz 0.000001 -0.000006 -0.000004 -0.000005 -0.000021 0.000010 23H 1px -0.000003 0.000003 0.000001 0.000003 -0.000017 -0.000000 23H 1py 0.000002 -0.000001 -0.000002 0.000003 -0.000037 0.000002 24H 1s 0.000004 -0.000007 -0.000001 -0.000000 -0.000002 -0.000006 24H 2s 0.000014 0.000007 -0.000004 -0.000021 0.000043 0.000044 24H 3s 0.000027 0.000027 0.000039 0.000043 -0.000057 0.000254 24H 1pz -0.000000 -0.000002 -0.000003 -0.000002 -0.000024 -0.000005 24H 1px -0.000004 0.000003 0.000002 0.000004 -0.000014 0.000005 24H 1py 0.000001 -0.000003 -0.000005 -0.000006 -0.000004 -0.000006 25H 1s 0.000003 -0.000001 0.000003 0.000004 -0.000008 0.000002 25H 2s -0.000037 0.000020 -0.000036 0.000003 0.000030 0.000005 25H 3s 0.000024 -0.000044 0.000032 -0.000012 0.000044 -0.000031 25H 1pz 0.000004 -0.000002 0.000003 -0.000002 -0.000020 0.000021 25H 1px -0.000001 0.000002 -0.000004 0.000002 0.000011 0.000008 25H 1py 0.000003 -0.000002 0.000001 -0.000001 -0.000012 0.000014 26O 1s 0.000000 -0.000001 0.000000 -0.000000 0.000001 0.000000 26O 2s -0.000001 0.000009 -0.000001 0.000004 -0.000013 -0.000002 26O 3s 0.000007 -0.000068 0.000012 -0.000050 0.000155 0.000043 26O 4s 0.000005 0.000093 -0.000017 0.000202 -0.000414 0.000109 26O 5s -0.000191 0.000793 0.000123 0.000079 -0.000190 -0.000083 26O 1pz -0.000001 -0.000015 0.000003 0.000006 0.000017 0.000010 26O 1px 0.000000 0.000008 -0.000001 -0.000004 -0.000021 0.000013 26O 1py 0.000001 -0.000013 0.000002 0.000002 0.000018 0.000018 26O 2pz -0.000004 -0.000022 -0.000029 -0.000031 -0.000064 -0.000216 26O 2px 0.000001 -0.000155 -0.000001 -0.000035 0.000232 -0.000291 26O 2py -0.000008 -0.000049 -0.000016 -0.000034 -0.000022 -0.000255 26O 3pz 0.000011 0.000232 -0.000105 -0.000154 -0.000098 -0.000754 26O 3px 0.000132 -0.000377 -0.000225 -0.000394 0.000105 -0.000510 26O 3py 0.000082 -0.000078 -0.000150 -0.000229 -0.000056 -0.000931 26O 1dz2 -0.000002 -0.000015 0.000000 0.000006 0.000007 -0.000028 26O 1dxz 0.000001 -0.000000 0.000004 -0.000007 -0.000008 -0.000008 26O 1dyz -0.000002 -0.000032 -0.000001 0.000001 0.000013 0.000009 26O 1dx2y2 0.000002 0.000003 -0.000004 -0.000000 -0.000001 0.000004 26O 1dxy 0.000002 -0.000010 -0.000000 -0.000006 -0.000007 0.000013 26O 2dz2 0.000009 0.000026 -0.000009 -0.000028 0.000002 -0.000015 26O 2dxz 0.000003 0.000008 -0.000008 0.000040 0.000037 0.000000 26O 2dyz 0.000008 0.000111 -0.000003 0.000006 -0.000062 -0.000163 26O 2dx2y2 -0.000014 0.000021 0.000017 0.000009 -0.000064 0.000107 26O 2dxy -0.000005 0.000066 0.000006 0.000039 0.000000 -0.000009 26O 1f0 0.000002 0.000001 -0.000000 0.000003 0.000005 0.000021 26O 1f+1 -0.000003 0.000009 -0.000001 0.000004 -0.000004 0.000019 26O 1f-1 0.000000 0.000027 0.000002 -0.000002 0.000001 0.000001 26O 1f+2 -0.000002 -0.000016 0.000000 -0.000005 -0.000004 0.000003 26O 1f-2 -0.000003 0.000008 0.000000 -0.000000 -0.000002 -0.000012 26O 1f+3 -0.000003 0.000005 0.000001 -0.000002 -0.000016 -0.000007 26O 1f-3 -0.000001 0.000008 -0.000001 0.000003 -0.000003 0.000015 27O 1s 0.000000 -0.000000 0.000000 -0.000000 -0.000001 -0.000001 27O 2s -0.000000 0.000003 -0.000001 0.000003 0.000016 0.000003 27O 3s 0.000002 -0.000025 0.000012 -0.000043 -0.000193 -0.000129 27O 4s 0.000005 0.000029 -0.000013 0.000174 0.000745 -0.000003 27O 5s -0.000101 0.000319 0.000193 0.000198 -0.000516 0.002348 27O 1pz -0.000002 0.000005 0.000001 0.000005 -0.000018 -0.000028 27O 1px -0.000000 0.000003 0.000001 -0.000002 0.000011 0.000009 27O 1py -0.000001 0.000014 -0.000003 -0.000006 0.000001 0.000023 27O 2pz 0.000010 -0.000031 -0.000016 -0.000022 0.000111 0.000248 27O 2px 0.000004 -0.000069 -0.000016 -0.000053 -0.000235 0.000070 27O 2py 0.000009 -0.000012 0.000032 0.000041 0.000009 -0.000349 27O 3pz -0.000051 0.000213 -0.000015 0.000002 -0.000173 0.001199 27O 3px 0.000061 -0.000125 -0.000257 -0.000403 -0.000000 0.000487 27O 3py -0.000040 0.000036 0.000098 0.000153 0.000174 -0.001333 27O 1dz2 0.000001 0.000007 0.000001 0.000002 -0.000001 -0.000010 27O 1dxz 0.000001 0.000002 0.000004 -0.000005 0.000001 0.000003 27O 1dyz -0.000000 0.000010 0.000003 -0.000005 0.000002 0.000006 27O 1dx2y2 0.000003 0.000008 -0.000002 -0.000005 -0.000001 -0.000036 27O 1dxy 0.000000 0.000008 -0.000003 0.000008 0.000002 0.000000 27O 2dz2 -0.000001 -0.000030 -0.000007 -0.000020 -0.000028 0.000023 27O 2dxz -0.000003 -0.000012 -0.000011 0.000023 -0.000034 0.000070 27O 2dyz 0.000001 -0.000035 -0.000002 0.000013 -0.000010 -0.000213 27O 2dx2y2 -0.000012 -0.000009 0.000015 0.000031 0.000052 0.000006 27O 2dxy -0.000004 -0.000034 0.000005 -0.000048 -0.000023 -0.000112 27O 1f0 0.000000 -0.000009 -0.000002 0.000004 -0.000009 -0.000000 27O 1f+1 -0.000000 -0.000000 -0.000001 0.000003 0.000000 0.000004 27O 1f-1 0.000001 0.000005 -0.000001 -0.000000 0.000001 -0.000006 27O 1f+2 -0.000001 -0.000005 -0.000001 -0.000001 0.000011 0.000018 27O 1f-2 0.000001 -0.000005 0.000000 -0.000004 -0.000002 -0.000014 27O 1f+3 -0.000001 0.000007 -0.000001 0.000001 0.000005 0.000004 27O 1f-3 -0.000002 -0.000008 0.000000 -0.000006 0.000007 0.000024 28O 1s 0.000001 -0.000000 -0.000000 0.000000 -0.000001 -0.000001 28O 2s -0.000009 0.000000 0.000003 -0.000001 0.000004 0.000014 28O 3s 0.000067 -0.000006 -0.000045 0.000006 -0.000053 -0.000164 28O 4s -0.000091 -0.000000 0.000179 0.000011 -0.000085 0.000425 28O 5s -0.000741 0.000218 0.000213 0.000172 -0.000130 0.000197 28O 1pz 0.000009 0.000001 0.000003 0.000003 -0.000018 -0.000005 28O 1px 0.000010 0.000001 0.000004 0.000000 0.000015 -0.000024 28O 1py 0.000016 0.000000 0.000004 0.000002 -0.000017 -0.000027 28O 2pz 0.000108 -0.000004 -0.000062 -0.000038 0.000375 -0.000074 28O 2px -0.000115 0.000005 0.000037 0.000006 -0.000209 0.000229 28O 2py -0.000000 0.000004 -0.000023 -0.000022 0.000174 0.000114 28O 3pz 0.000003 -0.000098 -0.000300 -0.000221 0.000957 0.000149 28O 3px -0.000422 0.000121 0.000294 0.000186 -0.000302 0.000126 28O 3py -0.000079 -0.000037 -0.000087 -0.000067 0.000838 0.000052 28O 1dz2 0.000013 -0.000001 -0.000005 0.000003 0.000019 0.000001 28O 1dxz 0.000004 0.000004 0.000008 0.000001 0.000029 -0.000013 28O 1dyz 0.000033 0.000002 0.000000 -0.000000 -0.000010 -0.000009 28O 1dx2y2 -0.000002 -0.000002 -0.000000 -0.000004 0.000002 -0.000000 28O 1dxy 0.000010 0.000002 0.000006 -0.000003 -0.000005 -0.000013 28O 2dz2 -0.000046 -0.000002 0.000029 -0.000008 -0.000003 -0.000010 28O 2dxz 0.000029 -0.000015 -0.000053 -0.000015 0.000008 -0.000007 28O 2dyz -0.000113 -0.000009 0.000009 -0.000003 0.000159 0.000035 28O 2dx2y2 -0.000022 0.000012 0.000007 0.000018 -0.000117 0.000056 28O 2dxy -0.000027 -0.000001 -0.000030 0.000005 0.000041 0.000073 28O 1f0 -0.000004 0.000003 0.000002 -0.000000 -0.000016 0.000005 28O 1f+1 -0.000006 -0.000002 0.000006 -0.000001 -0.000029 -0.000003 28O 1f-1 -0.000025 0.000001 -0.000001 0.000001 0.000013 0.000000 28O 1f+2 0.000020 -0.000002 -0.000002 -0.000000 -0.000000 -0.000009 28O 1f-2 -0.000009 -0.000003 -0.000001 0.000001 -0.000012 -0.000007 28O 1f+3 -0.000002 -0.000003 0.000000 0.000000 0.000004 -0.000010 28O 1f-3 -0.000004 -0.000001 0.000006 -0.000001 -0.000006 -0.000009 29O 1s 0.000000 -0.000000 -0.000000 -0.000001 0.000000 0.000001 29O 2s -0.000000 0.000001 0.000002 0.000011 -0.000002 -0.000011 29O 3s 0.000001 -0.000004 -0.000018 -0.000084 0.000020 0.000079 29O 4s -0.000007 0.000018 0.000046 0.000322 -0.000045 0.000021 29O 5s 0.000042 -0.000069 -0.000097 -0.000869 0.000059 -0.000508 29O 1pz -0.000001 0.000004 -0.000003 -0.000005 0.000003 0.000010 29O 1px -0.000001 0.000002 0.000006 0.000011 -0.000007 -0.000055 29O 1py -0.000000 0.000001 -0.000000 -0.000004 -0.000002 -0.000005 29O 2pz 0.000000 -0.000027 0.000006 0.000013 -0.000009 -0.000011 29O 2px 0.000006 -0.000014 -0.000014 -0.000031 0.000020 0.000167 29O 2py -0.000001 -0.000002 0.000000 0.000019 0.000012 0.000032 29O 3pz -0.000041 0.000101 -0.000013 -0.000104 0.000039 0.000025 29O 3px -0.000022 0.000035 0.000029 0.000318 -0.000007 0.000302 29O 3py -0.000019 0.000041 -0.000016 0.000082 -0.000018 0.000074 29O 1dz2 0.000000 -0.000000 0.000003 0.000006 -0.000000 -0.000001 29O 1dxz -0.000001 0.000001 0.000004 0.000006 -0.000002 -0.000017 29O 1dyz -0.000001 0.000001 0.000001 0.000001 0.000001 0.000018 29O 1dx2y2 -0.000000 -0.000000 -0.000006 -0.000007 0.000004 0.000044 29O 1dxy -0.000000 0.000001 -0.000002 -0.000005 0.000002 0.000013 29O 2dz2 0.000002 0.000004 -0.000008 -0.000013 -0.000001 0.000002 29O 2dxz 0.000002 -0.000008 -0.000012 -0.000010 0.000008 0.000082 29O 2dyz 0.000004 0.000000 -0.000003 -0.000003 -0.000006 -0.000070 29O 2dx2y2 -0.000000 -0.000000 0.000019 0.000006 -0.000015 -0.000172 29O 2dxy 0.000001 -0.000000 0.000007 0.000016 -0.000006 -0.000057 29O 1f0 -0.000001 0.000001 -0.000001 -0.000001 0.000001 0.000006 29O 1f+1 0.000000 -0.000001 0.000001 0.000002 0.000000 -0.000001 29O 1f-1 -0.000001 0.000000 0.000000 0.000005 0.000001 0.000004 29O 1f+2 -0.000000 0.000002 0.000002 0.000005 -0.000001 -0.000020 29O 1f-2 0.000001 -0.000001 0.000001 0.000004 0.000000 0.000005 29O 1f+3 0.000001 -0.000001 0.000003 0.000006 -0.000001 -0.000023 29O 1f-3 -0.000000 0.000000 0.000001 0.000002 -0.000001 -0.000006 30O 1s 0.000000 -0.000000 -0.000000 0.000000 0.000001 0.000001 30O 2s -0.000003 0.000000 0.000003 -0.000001 -0.000003 -0.000016 30O 3s 0.000021 -0.000001 -0.000044 0.000011 0.000130 0.000189 30O 4s -0.000014 -0.000006 0.000183 -0.000011 -0.000021 -0.000664 30O 5s -0.000310 0.000081 0.000070 0.000209 -0.002045 0.000325 30O 1pz -0.000007 0.000002 0.000001 0.000002 0.000017 0.000010 30O 1px 0.000004 0.000001 0.000007 0.000002 0.000020 0.000032 30O 1py -0.000013 0.000001 -0.000003 -0.000003 -0.000012 0.000001 30O 2pz 0.000063 -0.000011 -0.000026 -0.000021 -0.000217 0.000031 30O 2px -0.000034 -0.000000 0.000005 -0.000008 -0.000165 -0.000288 30O 2py -0.000004 -0.000009 0.000037 0.000032 0.000312 -0.000081 30O 3pz -0.000128 0.000014 -0.000268 -0.000170 -0.001197 -0.000037 30O 3px -0.000182 0.000040 0.000211 0.000164 -0.000594 0.000159 30O 3py -0.000073 0.000066 0.000293 0.000196 0.001543 0.000041 30O 1dz2 -0.000010 -0.000002 -0.000004 0.000003 0.000012 -0.000003 30O 1dxz 0.000003 0.000001 0.000005 0.000001 -0.000007 0.000007 30O 1dyz -0.000010 0.000001 0.000001 0.000001 -0.000011 -0.000000 30O 1dx2y2 -0.000008 -0.000001 0.000005 -0.000004 0.000024 0.000003 30O 1dxy -0.000005 -0.000001 -0.000009 0.000001 0.000019 -0.000006 30O 2dz2 0.000035 0.000007 0.000013 -0.000007 -0.000030 0.000049 30O 2dxz -0.000001 -0.000005 -0.000025 -0.000012 -0.000052 0.000004 30O 2dyz 0.000043 -0.000003 -0.000021 -0.000004 0.000224 0.000020 30O 2dx2y2 0.000020 0.000008 -0.000027 0.000015 0.000027 -0.000051 30O 2dxy 0.000004 0.000003 0.000042 0.000009 0.000045 -0.000016 30O 1f0 0.000005 0.000000 0.000002 -0.000001 -0.000007 -0.000005 30O 1f+1 0.000004 0.000000 0.000005 -0.000001 -0.000001 0.000011 30O 1f-1 -0.000003 -0.000001 0.000001 0.000000 0.000026 0.000007 30O 1f+2 0.000008 -0.000001 0.000003 -0.000001 0.000015 0.000006 30O 1f-2 0.000004 0.000000 -0.000001 -0.000001 -0.000017 -0.000002 30O 1f+3 -0.000009 -0.000002 0.000004 -0.000000 0.000025 0.000009 30O 1f-3 0.000007 -0.000001 -0.000003 0.000001 0.000008 0.000006 31O 1s -0.000000 0.000000 0.000000 -0.000000 -0.000001 -0.000001 31O 2s 0.000000 -0.000003 -0.000001 0.000003 0.000016 0.000003 31O 3s -0.000001 0.000021 0.000013 -0.000044 -0.000190 -0.000128 31O 4s -0.000006 -0.000014 -0.000018 0.000183 0.000663 0.000016 31O 5s 0.000081 -0.000309 0.000204 0.000079 -0.000307 0.002047 31O 1pz -0.000002 0.000007 -0.000002 -0.000001 0.000010 0.000017 31O 1px -0.000001 -0.000004 -0.000001 -0.000007 0.000032 0.000020 31O 1py -0.000001 0.000013 0.000003 0.000003 0.000001 -0.000012 31O 2pz 0.000011 -0.000063 0.000020 0.000026 0.000030 -0.000217 31O 2px 0.000000 0.000034 0.000008 -0.000005 -0.000289 -0.000163 31O 2py 0.000010 0.000004 -0.000031 -0.000038 -0.000078 0.000313 31O 3pz -0.000014 0.000128 0.000159 0.000275 -0.000048 -0.001198 31O 3px -0.000039 0.000182 -0.000155 -0.000217 0.000154 -0.000595 31O 3py -0.000066 0.000073 -0.000185 -0.000301 0.000054 0.001545 31O 1dz2 -0.000002 -0.000010 0.000003 -0.000003 0.000003 -0.000012 31O 1dxz 0.000001 0.000003 0.000001 0.000005 -0.000007 0.000007 31O 1dyz 0.000001 -0.000010 0.000001 0.000001 0.000000 0.000011 31O 1dx2y2 -0.000001 -0.000008 -0.000005 0.000005 -0.000003 -0.000024 31O 1dxy -0.000001 -0.000005 0.000001 -0.000009 0.000006 -0.000019 31O 2dz2 0.000007 0.000035 -0.000007 0.000013 -0.000049 0.000030 31O 2dxz -0.000005 -0.000001 -0.000011 -0.000025 -0.000004 0.000052 31O 2dyz -0.000003 0.000042 -0.000003 -0.000021 -0.000022 -0.000223 31O 2dx2y2 0.000008 0.000020 0.000016 -0.000026 0.000051 -0.000028 31O 2dxy 0.000003 0.000004 0.000007 0.000042 0.000016 -0.000045 31O 1f0 -0.000000 -0.000005 0.000002 -0.000002 -0.000005 -0.000007 31O 1f+1 -0.000000 -0.000004 0.000001 -0.000005 0.000011 -0.000001 31O 1f-1 0.000001 0.000003 -0.000000 -0.000001 0.000007 0.000026 31O 1f+2 0.000001 -0.000008 0.000001 -0.000003 0.000006 0.000015 31O 1f-2 -0.000000 -0.000004 0.000000 0.000001 -0.000002 -0.000017 31O 1f+3 0.000002 0.000009 0.000000 -0.000004 0.000009 0.000025 31O 1f-3 0.000001 -0.000007 -0.000001 0.000003 0.000006 0.000008 32O 1s -0.000000 0.000000 -0.000001 -0.000000 -0.000001 -0.000000 32O 2s 0.000001 -0.000000 0.000010 0.000003 0.000011 0.000002 32O 3s -0.000004 0.000001 -0.000083 -0.000022 -0.000080 -0.000020 32O 4s 0.000017 -0.000007 0.000321 0.000058 -0.000021 0.000045 32O 5s -0.000071 0.000044 -0.000864 -0.000129 0.000511 -0.000061 32O 1pz -0.000004 0.000001 0.000004 0.000003 0.000011 0.000003 32O 1px -0.000002 0.000001 -0.000011 -0.000007 -0.000055 -0.000006 32O 1py -0.000001 0.000000 0.000004 0.000000 -0.000005 -0.000002 32O 2pz 0.000027 -0.000000 -0.000013 -0.000007 -0.000011 -0.000009 32O 2px 0.000014 -0.000006 0.000030 0.000015 0.000167 0.000019 32O 2py 0.000002 0.000002 -0.000019 -0.000001 0.000033 0.000012 32O 3pz -0.000100 0.000040 0.000103 0.000016 0.000024 0.000039 32O 3px -0.000035 0.000022 -0.000316 -0.000041 0.000303 -0.000010 32O 3py -0.000042 0.000019 -0.000082 0.000013 0.000078 -0.000017 32O 1dz2 -0.000000 0.000000 0.000006 0.000003 0.000001 0.000000 32O 1dxz 0.000001 -0.000001 0.000006 0.000004 0.000018 0.000002 32O 1dyz 0.000001 -0.000001 0.000001 0.000001 -0.000018 -0.000001 32O 1dx2y2 -0.000000 -0.000000 -0.000007 -0.000006 -0.000044 -0.000004 32O 1dxy 0.000001 -0.000000 -0.000005 -0.000003 -0.000013 -0.000002 32O 2dz2 0.000003 0.000002 -0.000013 -0.000008 -0.000003 0.000001 32O 2dxz -0.000008 0.000002 -0.000010 -0.000012 -0.000083 -0.000007 32O 2dyz 0.000000 0.000004 -0.000003 -0.000003 0.000072 0.000005 32O 2dx2y2 -0.000000 -0.000000 0.000005 0.000019 0.000172 0.000014 32O 2dxy 0.000000 0.000001 0.000015 0.000008 0.000057 0.000006 32O 1f0 -0.000001 0.000001 0.000001 0.000001 0.000006 0.000001 32O 1f+1 0.000001 -0.000000 -0.000002 -0.000001 -0.000002 0.000000 32O 1f-1 -0.000000 0.000001 -0.000005 -0.000000 0.000004 0.000001 32O 1f+2 -0.000002 0.000000 -0.000004 -0.000003 -0.000021 -0.000001 32O 1f-2 0.000001 -0.000001 -0.000004 -0.000001 0.000005 0.000000 32O 1f+3 0.000001 -0.000001 -0.000006 -0.000004 -0.000023 -0.000001 32O 1f-3 -0.000000 0.000000 -0.000002 -0.000001 -0.000006 -0.000001 33O 1s -0.000000 0.000001 0.000000 -0.000000 0.000001 0.000001 33O 2s 0.000000 -0.000009 -0.000001 0.000003 -0.000014 -0.000003 33O 3s -0.000006 0.000067 0.000008 -0.000044 0.000164 0.000052 33O 4s -0.000000 -0.000091 0.000004 0.000179 -0.000423 0.000088 33O 5s 0.000220 -0.000741 0.000164 0.000219 -0.000194 0.000131 33O 1pz -0.000001 -0.000009 -0.000003 -0.000004 -0.000005 -0.000018 33O 1px -0.000001 -0.000010 -0.000000 -0.000004 -0.000024 0.000015 33O 1py -0.000000 -0.000016 -0.000002 -0.000004 -0.000027 -0.000017 33O 2pz 0.000004 -0.000108 0.000036 0.000063 -0.000071 0.000375 33O 2px -0.000005 0.000115 -0.000005 -0.000038 0.000227 -0.000211 33O 2py -0.000004 0.000000 0.000021 0.000024 0.000115 0.000174 33O 3pz 0.000098 -0.000002 0.000210 0.000307 0.000158 0.000959 33O 3px -0.000121 0.000422 -0.000175 -0.000301 0.000122 -0.000303 33O 3py 0.000037 0.000080 0.000064 0.000090 0.000058 0.000840 33O 1dz2 -0.000001 0.000013 0.000003 -0.000005 -0.000001 -0.000019 33O 1dxz 0.000004 0.000004 0.000000 0.000008 0.000013 -0.000029 33O 1dyz 0.000002 0.000033 -0.000000 0.000000 0.000009 0.000010 33O 1dx2y2 -0.000002 -0.000002 -0.000004 -0.000000 0.000000 -0.000002 33O 1dxy 0.000002 0.000010 -0.000003 0.000006 0.000013 0.000005 33O 2dz2 -0.000002 -0.000046 -0.000009 0.000029 0.000010 0.000003 33O 2dxz -0.000015 0.000029 -0.000013 -0.000053 0.000007 -0.000008 33O 2dyz -0.000009 -0.000113 -0.000003 0.000009 -0.000036 -0.000158 33O 2dx2y2 0.000013 -0.000023 0.000018 0.000008 -0.000055 0.000118 33O 2dxy -0.000001 -0.000027 0.000006 -0.000029 -0.000074 -0.000041 33O 1f0 -0.000003 0.000004 0.000000 -0.000002 0.000004 -0.000017 33O 1f+1 0.000002 0.000005 0.000001 -0.000006 -0.000003 -0.000028 33O 1f-1 -0.000001 0.000025 -0.000001 0.000001 0.000001 0.000013 33O 1f+2 0.000002 -0.000020 -0.000000 0.000002 -0.000009 -0.000000 33O 1f-2 0.000003 0.000009 -0.000001 0.000001 -0.000007 -0.000012 33O 1f+3 0.000003 0.000002 -0.000000 -0.000000 -0.000010 0.000004 33O 1f-3 0.000001 0.000004 0.000001 -0.000006 -0.000009 -0.000006 34O 1s -0.000000 0.000000 -0.000000 0.000000 0.000001 0.000001 34O 2s 0.000003 -0.000000 0.000003 -0.000001 -0.000003 -0.000016 34O 3s -0.000025 0.000002 -0.000044 0.000010 0.000130 0.000192 34O 4s 0.000029 0.000005 0.000175 -0.000007 -0.000004 -0.000744 34O 5s 0.000318 -0.000102 0.000190 0.000200 -0.002344 0.000531 34O 1pz -0.000005 0.000002 -0.000005 -0.000002 -0.000028 -0.000018 34O 1px -0.000003 0.000000 0.000002 -0.000001 0.000009 0.000011 34O 1py -0.000014 0.000001 0.000005 0.000003 0.000023 0.000001 34O 2pz 0.000031 -0.000010 0.000021 0.000017 0.000248 0.000109 34O 2px 0.000069 -0.000004 0.000053 0.000018 0.000068 -0.000236 34O 2py 0.000012 -0.000009 -0.000040 -0.000033 -0.000350 0.000012 34O 3pz -0.000213 0.000051 -0.000002 0.000015 0.001196 -0.000180 34O 3px 0.000125 -0.000061 0.000394 0.000272 0.000486 -0.000004 34O 3py -0.000036 0.000040 -0.000149 -0.000103 -0.001329 0.000183 34O 1dz2 0.000007 0.000001 0.000002 0.000001 0.000010 0.000001 34O 1dxz 0.000002 0.000001 -0.000005 0.000003 -0.000003 -0.000001 34O 1dyz 0.000010 -0.000000 -0.000005 0.000002 -0.000006 -0.000002 34O 1dx2y2 0.000008 0.000003 -0.000005 -0.000002 0.000036 0.000000 34O 1dxy 0.000008 0.000000 0.000008 -0.000003 -0.000000 -0.000002 34O 2dz2 -0.000030 -0.000001 -0.000020 -0.000008 -0.000023 0.000028 34O 2dxz -0.000012 -0.000003 0.000023 -0.000011 -0.000069 0.000034 34O 2dyz -0.000035 0.000001 0.000013 -0.000001 0.000212 0.000008 34O 2dx2y2 -0.000009 -0.000012 0.000031 0.000016 -0.000006 -0.000052 34O 2dxy -0.000034 -0.000004 -0.000048 0.000003 0.000113 0.000022 34O 1f0 0.000009 -0.000000 -0.000005 0.000002 -0.000000 -0.000009 34O 1f+1 0.000000 0.000000 -0.000003 0.000001 0.000004 0.000000 34O 1f-1 -0.000005 -0.000001 0.000000 0.000001 -0.000006 0.000001 34O 1f+2 0.000005 0.000001 0.000001 0.000001 0.000018 0.000011 34O 1f-2 0.000005 -0.000001 0.000004 -0.000000 -0.000014 -0.000002 34O 1f+3 -0.000007 0.000001 -0.000001 0.000001 0.000004 0.000005 34O 1f-3 0.000008 0.000002 0.000006 -0.000000 0.000024 0.000007 35O 1s -0.000001 0.000000 -0.000000 0.000000 -0.000000 -0.000001 35O 2s 0.000009 -0.000001 0.000004 -0.000001 0.000002 0.000013 35O 3s -0.000068 0.000007 -0.000051 0.000010 -0.000044 -0.000155 35O 4s 0.000093 0.000005 0.000203 -0.000009 -0.000106 0.000415 35O 5s 0.000793 -0.000191 0.000077 0.000124 0.000079 0.000188 35O 1pz 0.000015 0.000001 -0.000005 -0.000003 0.000010 0.000017 35O 1px -0.000008 -0.000000 0.000004 0.000001 0.000012 -0.000021 35O 1py 0.000013 -0.000001 -0.000002 -0.000002 0.000018 0.000017 35O 2pz 0.000021 0.000004 0.000030 0.000030 -0.000216 -0.000062 35O 2px 0.000155 -0.000001 0.000035 0.000002 -0.000290 0.000234 35O 2py 0.000049 0.000008 0.000033 0.000017 -0.000256 -0.000020 35O 3pz -0.000231 -0.000011 0.000149 0.000111 -0.000754 -0.000095 35O 3px 0.000377 -0.000132 0.000385 0.000239 -0.000512 0.000107 35O 3py 0.000079 -0.000082 0.000223 0.000159 -0.000931 -0.000050 35O 1dz2 -0.000015 -0.000002 0.000006 0.000001 0.000028 -0.000007 35O 1dxz -0.000000 0.000001 -0.000008 0.000004 0.000008 0.000008 35O 1dyz -0.000032 -0.000002 0.000001 -0.000000 -0.000009 -0.000013 35O 1dx2y2 0.000003 0.000002 -0.000000 -0.000004 -0.000004 0.000001 35O 1dxy -0.000010 0.000002 -0.000006 -0.000001 -0.000012 0.000008 35O 2dz2 0.000025 0.000009 -0.000028 -0.000010 0.000015 -0.000002 35O 2dxz 0.000008 0.000003 0.000040 -0.000006 -0.000001 -0.000037 35O 2dyz 0.000111 0.000008 0.000006 -0.000003 0.000163 0.000061 35O 2dx2y2 0.000021 -0.000014 0.000008 0.000017 -0.000107 0.000064 35O 2dxy 0.000066 -0.000005 0.000039 0.000008 0.000009 -0.000000 35O 1f0 -0.000001 -0.000002 -0.000003 0.000000 0.000021 0.000005 35O 1f+1 -0.000009 0.000003 -0.000004 0.000001 0.000019 -0.000004 35O 1f-1 -0.000027 -0.000000 0.000002 -0.000002 0.000001 0.000001 35O 1f+2 0.000016 0.000002 0.000005 -0.000000 0.000003 -0.000004 35O 1f-2 -0.000008 0.000003 0.000000 -0.000000 -0.000012 -0.000002 35O 1f+3 -0.000005 0.000003 0.000002 -0.000001 -0.000007 -0.000016 35O 1f-3 -0.000008 0.000001 -0.000003 0.000001 0.000015 -0.000003 30 31 32 33 34 35 -11.34529 -11.34523 -11.34475 -11.34469 -11.34017 -11.34010 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s 0.000000 -0.000003 -0.000000 -0.000004 -0.000000 -0.000057 0Rh 2s 0.000003 0.000006 -0.000002 -0.000016 -0.000019 0.000147 0Rh 3s 0.000003 -0.000016 -0.000003 -0.000036 -0.000015 -0.000201 0Rh 4s -0.000012 0.000002 0.000012 0.000053 0.000080 -0.000239 0Rh 5s 0.000033 -0.000046 -0.000033 -0.000012 -0.000221 0.000289 0Rh 6s -0.000077 0.000090 0.000077 -0.000011 0.000531 -0.000439 0Rh 7s 0.000439 -0.000451 -0.000185 0.000013 -0.002032 0.001464 0Rh 8s 0.000088 0.000865 -0.000040 -0.000389 -0.000485 -0.000836 0Rh 1pz -0.000001 0.000029 0.000000 -0.000005 0.000004 -0.000112 0Rh 1px -0.000002 -0.000013 0.000001 -0.000024 0.000004 0.000122 0Rh 1py 0.000004 -0.000116 0.000002 0.000061 0.000002 0.000007 0Rh 2pz 0.000004 -0.000071 -0.000001 0.000014 -0.000012 0.000277 0Rh 2px 0.000008 0.000037 -0.000003 0.000060 -0.000024 -0.000318 0Rh 2py -0.000020 0.000283 -0.000012 -0.000148 -0.000008 -0.000022 0Rh 3pz -0.000020 -0.000018 0.000004 -0.000017 0.000025 0.000070 0Rh 3px -0.000050 -0.000040 0.000021 -0.000009 0.000200 0.000126 0Rh 3py 0.000112 0.000105 0.000075 -0.000059 0.000052 0.000046 0Rh 4pz 0.000041 0.000060 -0.000002 0.000025 -0.000016 -0.000190 0Rh 4px 0.000130 0.000062 -0.000065 0.000008 -0.000581 -0.000153 0Rh 4py -0.000249 -0.000268 -0.000172 0.000142 -0.000140 -0.000068 0Rh 5pz -0.000022 -0.000116 -0.000015 -0.000036 -0.000092 0.000342 0Rh 5px -0.000155 -0.000091 0.000096 -0.000007 0.000809 0.000170 0Rh 5py 0.000206 0.000488 0.000155 -0.000259 0.000169 0.000079 0Rh 6pz -0.000250 0.000580 0.000179 0.000119 0.000800 -0.001510 0Rh 6px -0.000581 0.000300 0.000089 -0.000037 0.001535 -0.000055 0Rh 6py 0.001417 -0.002158 0.000883 0.001071 0.000520 0.000198 0Rh 1dz2 -0.000192 -0.198549 0.001906 -0.256872 -0.000289 0.001240 0Rh 1dxz -0.000315 -0.246266 0.002343 -0.318009 -0.013013 0.645532 0Rh 1dyz 0.000318 -0.016675 -0.004932 0.619217 -0.006889 0.333780 0Rh 1dx2y2 -0.000304 -0.391852 0.000389 -0.073150 0.005887 -0.282350 0Rh 1dxy 0.000476 0.601921 0.002242 -0.245264 -0.001828 0.089807 0Rh 2dz2 -0.000069 -0.072493 0.000694 -0.093788 -0.000096 0.000630 0Rh 2dxz -0.000117 -0.089977 0.000855 -0.116092 -0.004731 0.235822 0Rh 2dyz 0.000113 -0.006057 -0.001796 0.226699 -0.002526 0.122378 0Rh 2dx2y2 -0.000105 -0.143349 0.000135 -0.026702 0.002123 -0.103293 0Rh 2dxy 0.000178 0.220054 0.000820 -0.089537 -0.000683 0.032907 0Rh 3dz2 -0.000018 -0.014118 0.000140 -0.018258 -0.000059 0.000323 0Rh 3dxz -0.000015 -0.017639 0.000168 -0.022737 -0.001000 0.046234 0Rh 3dyz 0.000036 -0.001173 -0.000382 0.044559 -0.000497 0.024058 0Rh 3dx2y2 -0.000038 -0.027983 0.000047 -0.005072 0.000510 -0.020398 0Rh 3dxy 0.000020 0.043146 0.000154 -0.017437 -0.000093 0.006378 0Rh 4dz2 0.000017 0.001416 -0.000026 0.001688 0.000055 -0.000434 0Rh 4dxz -0.000018 0.001937 -0.000018 0.002510 0.000269 -0.005406 0Rh 4dyz -0.000048 0.000083 0.000106 -0.005283 0.000056 -0.003020 0Rh 4dx2y2 0.000020 0.002906 -0.000046 0.000287 -0.000214 0.002662 0Rh 4dxy 0.000064 -0.004793 0.000026 0.001685 -0.000051 -0.000656 0Rh 5dz2 -0.000092 -0.000583 0.000066 -0.000351 0.000255 0.001100 0Rh 5dxz 0.000031 -0.001082 0.000037 -0.001466 -0.000191 0.003684 0Rh 5dyz 0.000163 0.000119 -0.000157 0.003919 0.000019 0.002578 0Rh 5dx2y2 0.000128 -0.001353 0.000029 0.000349 -0.000213 -0.002404 0Rh 5dxy -0.000331 0.002770 -0.000264 -0.000406 -0.000127 0.000300 0Rh 1f0 0.000006 -0.000013 0.000013 -0.000001 0.000020 0.000033 0Rh 1f+1 0.000020 -0.000004 -0.000011 -0.000001 -0.000063 0.000005 0Rh 1f-1 0.000005 0.000007 -0.000007 0.000008 0.000002 0.000009 0Rh 1f+2 0.000019 -0.000002 -0.000002 0.000015 -0.000027 -0.000031 0Rh 1f-2 -0.000021 0.000013 0.000002 -0.000020 -0.000017 -0.000024 0Rh 1f+3 0.000026 -0.000017 0.000011 0.000009 -0.000056 -0.000026 0Rh 1f-3 -0.000039 0.000028 -0.000035 -0.000011 -0.000045 -0.000003 1Rh 1s 0.000004 -0.000000 -0.000004 -0.000000 0.000057 0.000003 1Rh 2s -0.000007 -0.000003 -0.000016 -0.000003 -0.000147 0.000013 1Rh 3s 0.000016 -0.000003 -0.000036 -0.000003 0.000200 0.000023 1Rh 4s 0.000001 0.000012 0.000054 0.000012 0.000240 -0.000070 1Rh 5s 0.000044 -0.000034 -0.000013 -0.000032 -0.000297 0.000209 1Rh 6s -0.000089 0.000079 -0.000011 0.000075 0.000460 -0.000513 1Rh 7s 0.000448 -0.000447 0.000013 -0.000178 -0.001547 0.001972 1Rh 8s -0.000875 -0.000083 -0.000382 -0.000044 0.000826 0.000512 1Rh 1pz 0.000029 -0.000001 0.000005 -0.000000 -0.000113 -0.000001 1Rh 1px -0.000013 -0.000002 0.000024 -0.000000 0.000121 0.000008 1Rh 1py -0.000117 0.000004 -0.000060 -0.000003 0.000007 0.000002 1Rh 2pz -0.000071 0.000004 -0.000014 0.000001 0.000278 -0.000001 1Rh 2px 0.000036 0.000008 -0.000060 0.000002 -0.000316 -0.000037 1Rh 2py 0.000285 -0.000020 0.000145 0.000014 -0.000021 -0.000009 1Rh 3pz -0.000018 -0.000020 0.000016 -0.000004 0.000069 0.000028 1Rh 3px -0.000040 -0.000050 0.000010 -0.000021 0.000118 0.000205 1Rh 3py 0.000106 0.000111 0.000059 -0.000075 0.000044 0.000054 1Rh 4pz 0.000060 0.000040 -0.000024 0.000002 -0.000190 -0.000024 1Rh 4px 0.000063 0.000131 -0.000009 0.000063 -0.000128 -0.000587 1Rh 4py -0.000270 -0.000247 -0.000143 0.000172 -0.000062 -0.000142 1Rh 5pz -0.000116 -0.000021 0.000036 0.000015 0.000346 -0.000078 1Rh 5px -0.000092 -0.000157 0.000008 -0.000094 0.000136 0.000816 1Rh 5py 0.000491 0.000203 0.000258 -0.000153 0.000072 0.000171 1Rh 6pz 0.000585 -0.000253 -0.000113 -0.000179 -0.001536 0.000740 1Rh 6px 0.000306 -0.000586 0.000041 -0.000081 -0.000114 0.001534 1Rh 6py -0.002163 0.001413 -0.001043 -0.000914 0.000167 0.000530 1Rh 1dz2 0.196946 -0.000102 -0.258360 -0.002138 -0.000978 0.000255 1Rh 1dxz 0.243311 -0.000058 -0.320376 -0.002670 -0.645558 -0.013240 1Rh 1dyz 0.022763 -0.000420 0.619211 0.004849 -0.334068 -0.006691 1Rh 1dx2y2 0.392122 -0.000335 -0.076155 -0.000743 0.281919 0.005577 1Rh 1dxy -0.603272 0.000565 -0.239655 -0.001659 -0.089907 -0.001831 1Rh 2dz2 0.071908 -0.000039 -0.094331 -0.000783 -0.000534 0.000077 1Rh 2dxz 0.088898 -0.000019 -0.116956 -0.000975 -0.235830 -0.004860 1Rh 2dyz 0.008286 -0.000150 0.226698 0.001785 -0.122484 -0.002453 1Rh 2dx2y2 0.143448 -0.000129 -0.027801 -0.000278 0.103134 0.002071 1Rh 2dxy -0.220547 0.000203 -0.087487 -0.000604 -0.032944 -0.000657 1Rh 3dz2 0.014004 -0.000003 -0.018364 -0.000147 -0.000306 0.000047 1Rh 3dxz 0.017427 -0.000012 -0.022907 -0.000191 -0.046238 -0.000880 1Rh 3dyz 0.001612 -0.000044 0.044559 0.000322 -0.024079 -0.000482 1Rh 3dx2y2 0.028005 -0.000008 -0.005287 -0.000032 0.020370 0.000318 1Rh 3dxy -0.043242 0.000055 -0.017035 -0.000124 -0.006384 -0.000166 1Rh 4dz2 -0.001407 -0.000015 0.001698 0.000001 0.000433 -0.000037 1Rh 4dxz -0.001912 0.000021 0.002529 0.000021 0.005411 -0.000049 1Rh 4dyz -0.000136 0.000049 -0.005286 0.000022 0.003022 0.000067 1Rh 4dx2y2 -0.002911 -0.000015 0.000309 -0.000041 -0.002664 0.000105 1Rh 4dxy 0.004801 -0.000072 0.001639 0.000054 0.000655 0.000078 1Rh 5dz2 0.000584 0.000092 -0.000356 0.000061 -0.001086 -0.000300 1Rh 5dxz 0.001066 -0.000033 -0.001478 0.000014 -0.003687 0.000041 1Rh 5dyz -0.000079 -0.000166 0.003925 -0.000093 -0.002577 -0.000124 1Rh 5dx2y2 0.001362 -0.000131 0.000338 0.000035 0.002390 0.000312 1Rh 5dxy -0.002767 0.000333 -0.000375 -0.000274 -0.000306 0.000115 1Rh 1f0 -0.000013 0.000006 0.000001 -0.000013 0.000033 0.000022 1Rh 1f+1 -0.000004 0.000020 0.000001 0.000011 0.000007 -0.000063 1Rh 1f-1 0.000007 0.000005 -0.000008 0.000007 0.000009 0.000003 1Rh 1f+2 -0.000002 0.000019 -0.000015 0.000001 -0.000030 -0.000028 1Rh 1f-2 0.000013 -0.000021 0.000020 -0.000001 -0.000023 -0.000018 1Rh 1f+3 -0.000017 0.000026 -0.000008 -0.000011 -0.000024 -0.000058 1Rh 1f-3 0.000029 -0.000039 0.000010 0.000035 -0.000002 -0.000045 2C 1s 0.000001 0.000000 0.000000 -0.000000 0.000001 0.000001 2C 2s -0.000003 -0.000002 -0.000000 0.000002 -0.000005 -0.000007 2C 3s -0.000048 -0.000178 -0.000349 -0.000081 -0.000197 -0.000256 2C 4s 0.000386 0.001139 0.002133 0.000371 0.001234 0.001850 2C 5s -0.000847 -0.000943 -0.001817 0.000817 -0.001803 -0.002069 2C 1pz -0.000002 -0.000006 -0.000026 -0.000002 -0.000026 -0.000018 2C 1px -0.000004 0.000002 -0.000007 0.000009 -0.000013 0.000007 2C 1py 0.000002 -0.000031 -0.000029 -0.000018 -0.000010 -0.000006 2C 2pz 0.000213 0.000571 0.001099 0.000032 0.000764 0.000949 2C 2px 0.000084 0.000068 0.000235 0.000005 0.000427 0.000205 2C 2py 0.000118 0.000578 0.000785 0.000179 0.000507 0.000613 2C 3pz -0.000218 -0.000183 -0.000346 0.000376 -0.000216 -0.000423 2C 3px -0.000161 -0.000023 0.000015 0.000033 -0.000640 -0.000086 2C 3py -0.000011 -0.000113 0.000014 0.000032 -0.000298 -0.000342 2C 1dz2 0.000007 0.000027 0.000032 -0.000005 -0.000004 0.000013 2C 1dxz 0.000005 0.000010 0.000010 0.000011 0.000028 0.000017 2C 1dyz 0.000002 0.000010 0.000025 0.000008 0.000018 0.000034 2C 1dx2y2 0.000003 0.000001 -0.000007 0.000011 -0.000008 -0.000009 2C 1dxy 0.000004 0.000002 0.000006 0.000005 0.000013 0.000011 2C 2dz2 0.000045 0.000081 0.000168 0.000001 0.000230 0.000247 2C 2dxz 0.000018 0.000044 0.000107 -0.000005 -0.000020 0.000062 2C 2dyz 0.000089 0.000282 0.000465 0.000025 0.000358 0.000310 2C 2dx2y2 -0.000027 -0.000115 -0.000155 -0.000058 -0.000013 -0.000089 2C 2dxy 0.000008 0.000005 0.000100 -0.000017 0.000076 0.000043 2C 1f0 0.000005 0.000002 -0.000009 -0.000010 0.000011 0.000021 2C 1f+1 0.000012 0.000001 0.000023 -0.000005 0.000032 0.000016 2C 1f-1 0.000010 0.000033 0.000063 0.000008 0.000032 0.000055 2C 1f+2 -0.000006 -0.000032 -0.000045 -0.000011 -0.000032 -0.000034 2C 1f-2 0.000008 0.000011 0.000026 0.000010 0.000026 0.000013 2C 1f+3 0.000001 0.000005 0.000005 0.000002 0.000006 0.000001 2C 1f-3 0.000001 0.000012 0.000014 0.000003 0.000016 0.000011 3C 1s -0.000001 -0.000001 -0.000000 0.000000 0.000000 0.000000 3C 2s 0.000007 0.000005 -0.000000 -0.000003 -0.000002 -0.000002 3C 3s 0.000259 0.000339 0.000332 0.000063 -0.000314 0.000164 3C 4s -0.001801 -0.002234 -0.002072 -0.000293 0.001891 -0.000823 3C 5s 0.002713 0.003252 0.002152 -0.000901 -0.000414 -0.001081 3C 1pz -0.000002 0.000018 0.000022 0.000027 -0.000022 0.000010 3C 1px 0.000013 0.000008 0.000014 0.000003 -0.000017 0.000008 3C 1py -0.000028 -0.000022 -0.000022 0.000007 0.000039 -0.000029 3C 2pz -0.000460 -0.000704 -0.000668 -0.000201 0.000598 -0.000233 3C 2px -0.000547 -0.000425 -0.000420 -0.000113 0.000497 -0.000117 3C 2py 0.001093 0.001180 0.001064 -0.000059 -0.001111 0.000491 3C 3pz 0.000249 0.000404 0.000271 -0.000081 0.000188 -0.000125 3C 3px 0.000637 0.000173 0.000017 0.000086 -0.000075 -0.000188 3C 3py -0.000493 -0.000598 -0.000331 0.000354 0.000033 0.000378 3C 1dz2 -0.000002 0.000000 0.000005 0.000016 -0.000013 -0.000007 3C 1dxz -0.000017 -0.000013 -0.000011 0.000008 0.000010 -0.000005 3C 1dyz 0.000023 0.000027 0.000029 -0.000002 -0.000018 0.000012 3C 1dx2y2 0.000011 0.000031 0.000026 -0.000003 -0.000019 0.000004 3C 1dxy 0.000032 0.000017 0.000013 0.000017 -0.000022 0.000005 3C 2dz2 0.000157 0.000080 0.000058 -0.000100 -0.000053 0.000076 3C 2dxz -0.000053 -0.000120 -0.000141 -0.000043 0.000123 -0.000052 3C 2dyz 0.000378 0.000442 0.000364 -0.000006 -0.000407 0.000142 3C 2dx2y2 0.000250 0.000246 0.000193 0.000019 -0.000205 0.000103 3C 2dxy 0.000180 0.000202 0.000247 0.000001 -0.000225 0.000065 3C 1f0 0.000029 0.000030 0.000030 0.000008 -0.000025 0.000009 3C 1f+1 -0.000007 -0.000014 -0.000006 -0.000007 0.000008 -0.000000 3C 1f-1 -0.000013 0.000016 0.000016 0.000007 -0.000009 0.000000 3C 1f+2 0.000027 0.000058 0.000040 0.000002 -0.000037 0.000022 3C 1f-2 0.000045 0.000043 0.000044 0.000011 -0.000044 0.000015 3C 1f+3 -0.000043 -0.000035 -0.000041 0.000003 0.000042 -0.000016 3C 1f-3 0.000026 0.000034 0.000010 -0.000014 -0.000017 0.000007 4C 1s 0.000001 0.000002 0.000004 0.000001 0.000002 0.000003 4C 2s -0.000004 -0.000010 -0.000023 -0.000009 -0.000013 -0.000017 4C 3s 0.000013 0.000287 0.000596 0.000246 0.000453 0.000222 4C 4s 0.000134 -0.001095 -0.002228 -0.001064 -0.001965 -0.000171 4C 5s 0.000720 -0.000017 0.000714 -0.000625 0.000666 0.001467 4C 1pz -0.000017 -0.000027 -0.000044 -0.000007 -0.000025 -0.000062 4C 1px 0.000015 -0.000009 -0.000017 0.000028 0.000011 -0.000041 4C 1py -0.000019 -0.000020 -0.000027 0.000018 -0.000009 -0.000048 4C 2pz 0.000373 0.000650 0.001017 -0.000038 0.000357 0.001144 4C 2px -0.000077 0.000021 0.000272 -0.000033 0.000603 0.000867 4C 2py 0.000241 0.000331 0.000632 -0.000110 0.000437 0.001001 4C 3pz -0.000447 -0.000478 -0.000470 0.000955 -0.002020 -0.000683 4C 3px -0.000114 -0.000322 0.000267 0.000170 0.000038 -0.000203 4C 3py -0.000431 -0.000706 -0.000517 0.000596 -0.001154 -0.000413 4C 1dz2 0.000011 0.000042 0.000048 0.000019 0.000034 0.000017 4C 1dxz -0.000007 0.000017 0.000025 -0.000006 0.000009 0.000026 4C 1dyz 0.000014 0.000011 0.000043 -0.000016 0.000031 0.000065 4C 1dx2y2 -0.000007 -0.000005 0.000003 0.000003 -0.000042 -0.000005 4C 1dxy 0.000000 0.000024 -0.000014 0.000005 -0.000011 0.000032 4C 2dz2 -0.000087 -0.000354 -0.000434 -0.000086 -0.000586 -0.000506 4C 2dxz -0.000112 -0.000152 -0.000216 0.000171 0.000212 0.000004 4C 2dyz -0.000174 -0.000299 -0.000687 0.000010 -0.000586 -0.000619 4C 2dx2y2 0.000101 0.000109 -0.000041 -0.000174 0.000248 0.000247 4C 2dxy 0.000046 -0.000295 -0.000079 -0.000036 0.000129 0.000096 4C 1f0 0.000007 -0.000002 0.000080 0.000020 0.000018 -0.000006 4C 1f+1 -0.000022 0.000069 0.000048 0.000055 0.000041 0.000046 4C 1f-1 0.000002 0.000048 0.000051 0.000011 0.000021 0.000022 4C 1f+2 -0.000004 -0.000004 -0.000086 -0.000031 -0.000068 -0.000030 4C 1f-2 0.000013 -0.000011 0.000006 -0.000002 0.000034 0.000055 4C 1f+3 -0.000004 -0.000008 0.000015 0.000007 -0.000034 0.000021 4C 1f-3 0.000011 0.000008 0.000027 -0.000001 -0.000005 0.000008 5C 1s -0.000003 -0.000003 -0.000003 -0.000001 0.000004 -0.000002 5C 2s 0.000016 0.000021 0.000020 0.000005 -0.000025 0.000015 5C 3s -0.000393 -0.000496 -0.000534 -0.000113 0.000692 -0.000470 5C 4s 0.001285 0.001647 0.001949 0.000441 -0.002802 0.002123 5C 5s -0.001121 -0.001572 -0.000562 0.000716 -0.000202 0.000766 5C 1pz 0.000040 0.000023 0.000018 0.000003 -0.000011 -0.000002 5C 1px -0.000009 0.000047 0.000019 -0.000025 -0.000025 -0.000040 5C 1py -0.000056 -0.000064 -0.000053 -0.000007 0.000015 0.000004 5C 2pz -0.000652 -0.000682 -0.000553 0.000070 0.000300 -0.000135 5C 2px -0.000470 -0.000554 -0.000360 -0.000074 0.000619 0.000469 5C 2py 0.001062 0.001282 0.001061 0.000033 -0.000654 0.000087 5C 3pz 0.001208 0.001005 0.000663 -0.000514 -0.000421 -0.000616 5C 3px 0.000144 0.000868 -0.000088 -0.000282 0.000321 -0.000130 5C 3py -0.002153 -0.001667 -0.000804 0.001109 0.000242 0.000771 5C 1dz2 -0.000009 0.000024 0.000010 0.000030 0.000001 -0.000016 5C 1dxz -0.000034 -0.000037 0.000004 0.000004 0.000011 -0.000013 5C 1dyz 0.000069 0.000041 0.000042 -0.000007 -0.000028 0.000001 5C 1dx2y2 0.000040 0.000034 0.000045 0.000010 -0.000048 0.000016 5C 1dxy 0.000008 0.000046 0.000030 -0.000020 -0.000022 0.000006 5C 2dz2 -0.000045 -0.000224 -0.000248 -0.000148 0.000118 -0.000145 5C 2dxz 0.000317 0.000279 0.000098 -0.000089 0.000022 0.000047 5C 2dyz -0.000742 -0.000637 -0.000573 -0.000046 0.000701 -0.000198 5C 2dx2y2 -0.000523 -0.000444 -0.000317 -0.000054 0.000458 0.000083 5C 2dxy -0.000219 -0.000484 -0.000404 0.000267 0.000245 -0.000322 5C 1f0 -0.000022 0.000032 0.000014 -0.000020 -0.000006 0.000024 5C 1f+1 -0.000005 -0.000023 -0.000011 0.000036 0.000032 -0.000047 5C 1f-1 0.000013 -0.000000 0.000010 -0.000000 0.000010 0.000008 5C 1f+2 0.000062 0.000004 0.000040 0.000001 -0.000047 0.000011 5C 1f-2 0.000049 0.000049 0.000057 0.000018 -0.000091 0.000034 5C 1f+3 -0.000034 -0.000090 -0.000042 -0.000038 0.000042 -0.000041 5C 1f-3 0.000027 0.000043 0.000097 0.000025 -0.000076 0.000051 6C 1s 0.000003 0.000003 -0.000001 -0.000003 0.000003 -0.000004 6C 2s -0.000021 -0.000016 0.000005 0.000021 -0.000016 0.000024 6C 3s 0.000494 0.000385 -0.000108 -0.000536 0.000499 -0.000675 6C 4s -0.001636 -0.001249 0.000419 0.001949 -0.002241 0.002729 6C 5s 0.001583 0.001128 0.000717 -0.000569 -0.000780 0.000176 6C 1pz 0.000023 0.000040 -0.000003 -0.000019 -0.000001 -0.000011 6C 1px 0.000047 -0.000010 0.000025 -0.000018 -0.000039 -0.000027 6C 1py -0.000064 -0.000056 0.000007 0.000054 0.000003 0.000015 6C 2pz -0.000681 -0.000651 -0.000073 0.000560 -0.000148 0.000289 6C 2px -0.000560 -0.000459 0.000074 0.000360 0.000448 0.000642 6C 2py 0.001281 0.001057 -0.000027 -0.001074 0.000114 -0.000643 6C 3pz 0.001009 0.001192 0.000520 -0.000661 -0.000600 -0.000455 6C 3px 0.000864 0.000145 0.000273 0.000089 -0.000136 0.000314 6C 3py -0.001675 -0.002134 -0.001113 0.000800 0.000761 0.000288 6C 1dz2 -0.000024 0.000009 0.000030 0.000010 0.000016 -0.000000 6C 1dxz 0.000037 0.000034 0.000004 0.000004 0.000014 -0.000011 6C 1dyz -0.000041 -0.000068 -0.000008 0.000043 -0.000002 0.000027 6C 1dx2y2 -0.000033 -0.000040 0.000010 0.000045 -0.000018 0.000048 6C 1dxy -0.000047 -0.000007 -0.000020 0.000029 -0.000007 0.000022 6C 2dz2 0.000221 0.000041 -0.000146 -0.000250 0.000150 -0.000114 6C 2dxz -0.000281 -0.000319 -0.000089 0.000101 -0.000046 -0.000027 6C 2dyz 0.000637 0.000734 -0.000042 -0.000578 0.000227 -0.000693 6C 2dx2y2 0.000446 0.000522 -0.000053 -0.000324 -0.000065 -0.000458 6C 2dxy 0.000485 0.000218 0.000269 -0.000404 0.000333 -0.000229 6C 1f0 0.000032 -0.000021 0.000020 -0.000014 0.000024 -0.000004 6C 1f+1 -0.000023 -0.000005 -0.000036 0.000010 -0.000048 0.000031 6C 1f-1 -0.000000 0.000013 0.000001 -0.000010 0.000007 0.000010 6C 1f+2 0.000004 0.000062 -0.000000 -0.000041 0.000012 -0.000047 6C 1f-2 0.000049 0.000048 -0.000017 -0.000058 0.000038 -0.000090 6C 1f+3 -0.000089 -0.000034 0.000038 0.000043 -0.000043 0.000040 6C 1f-3 0.000042 0.000026 -0.000024 -0.000098 0.000055 -0.000074 7C 1s -0.000002 -0.000001 0.000001 0.000004 -0.000003 -0.000002 7C 2s 0.000010 0.000003 -0.000009 -0.000023 0.000017 0.000014 7C 3s -0.000281 -0.000006 0.000242 0.000599 -0.000202 -0.000462 7C 4s 0.001065 -0.000160 -0.001050 -0.002240 0.000082 0.001973 7C 5s 0.000004 -0.000727 -0.000654 0.000710 -0.001442 -0.000727 7C 1pz -0.000027 -0.000017 0.000007 0.000044 -0.000061 -0.000028 7C 1px -0.000009 0.000015 -0.000029 0.000016 -0.000042 0.000010 7C 1py -0.000020 -0.000018 -0.000019 0.000027 -0.000048 -0.000011 7C 2pz 0.000644 0.000361 0.000051 -0.001010 0.001128 0.000404 7C 2px 0.000023 -0.000082 0.000044 -0.000271 0.000849 0.000637 7C 2py 0.000332 0.000234 0.000121 -0.000632 0.000991 0.000481 7C 3pz -0.000476 -0.000446 -0.000963 0.000462 -0.000594 -0.002038 7C 3px -0.000321 -0.000114 -0.000156 -0.000271 -0.000195 0.000030 7C 3py -0.000706 -0.000427 -0.000601 0.000514 -0.000363 -0.001165 7C 1dz2 -0.000042 -0.000011 0.000019 0.000049 -0.000016 -0.000035 7C 1dxz -0.000018 0.000007 -0.000007 0.000025 -0.000026 -0.000010 7C 1dyz -0.000011 -0.000014 -0.000016 0.000042 -0.000064 -0.000034 7C 1dx2y2 0.000005 0.000007 0.000002 0.000003 0.000003 0.000042 7C 1dxy -0.000025 -0.000001 0.000005 -0.000014 -0.000032 0.000010 7C 2dz2 0.000351 0.000080 -0.000081 -0.000434 0.000483 0.000605 7C 2dxz 0.000152 0.000110 0.000173 -0.000210 0.000005 -0.000212 7C 2dyz 0.000297 0.000166 0.000017 -0.000687 0.000597 0.000613 7C 2dx2y2 -0.000112 -0.000100 -0.000173 -0.000043 -0.000240 -0.000261 7C 2dxy 0.000293 -0.000047 -0.000040 -0.000078 -0.000093 -0.000133 7C 1f0 -0.000002 0.000006 -0.000019 -0.000080 -0.000006 0.000017 7C 1f+1 0.000069 -0.000022 -0.000055 -0.000048 0.000043 0.000042 7C 1f-1 0.000047 0.000002 -0.000010 -0.000051 0.000021 0.000022 7C 1f+2 -0.000004 -0.000003 0.000029 0.000087 -0.000027 -0.000069 7C 1f-2 -0.000011 0.000013 0.000003 -0.000006 0.000054 0.000036 7C 1f+3 -0.000008 -0.000004 -0.000007 -0.000015 0.000023 -0.000033 7C 1f-3 0.000008 0.000011 0.000001 -0.000028 0.000007 -0.000005 8C 1s 0.000001 0.000001 0.000000 -0.000000 -0.000000 -0.000000 8C 2s -0.000005 -0.000007 -0.000003 0.000000 0.000002 0.000002 8C 3s -0.000338 -0.000256 0.000060 0.000335 -0.000177 0.000307 8C 4s 0.002230 0.001782 -0.000277 -0.002090 0.000901 -0.001852 8C 5s -0.003254 -0.002687 -0.000923 0.002157 0.001065 0.000472 8C 1pz 0.000018 -0.000002 -0.000027 -0.000022 0.000010 -0.000021 8C 1px 0.000008 0.000012 -0.000003 -0.000015 0.000008 -0.000017 8C 1py -0.000022 -0.000028 -0.000008 0.000022 -0.000030 0.000038 8C 2pz -0.000703 -0.000455 0.000196 0.000674 -0.000257 0.000586 8C 2px -0.000425 -0.000544 0.000109 0.000427 -0.000138 0.000493 8C 2py 0.001179 0.001082 0.000066 -0.001072 0.000537 -0.001088 8C 3pz 0.000405 0.000248 0.000082 -0.000269 -0.000133 0.000182 8C 3px 0.000174 0.000637 -0.000081 -0.000023 -0.000186 -0.000086 8C 3py -0.000600 -0.000487 -0.000355 0.000331 0.000376 0.000051 8C 1dz2 0.000000 0.000002 0.000016 0.000005 0.000007 0.000013 8C 1dxz 0.000013 0.000016 0.000008 -0.000011 0.000005 -0.000009 8C 1dyz -0.000027 -0.000022 -0.000002 0.000029 -0.000013 0.000018 8C 1dx2y2 -0.000031 -0.000011 -0.000003 0.000026 -0.000005 0.000019 8C 1dxy -0.000017 -0.000031 0.000017 0.000014 -0.000006 0.000022 8C 2dz2 -0.000081 -0.000157 -0.000101 0.000058 -0.000078 0.000050 8C 2dxz 0.000119 0.000051 -0.000041 -0.000142 0.000058 -0.000120 8C 2dyz -0.000442 -0.000374 -0.000008 0.000368 -0.000158 0.000400 8C 2dx2y2 -0.000246 -0.000249 0.000017 0.000195 -0.000112 0.000200 8C 2dxy -0.000202 -0.000177 -0.000001 0.000248 -0.000075 0.000222 8C 1f0 0.000029 0.000029 -0.000008 -0.000030 0.000010 -0.000024 8C 1f+1 -0.000014 -0.000007 0.000007 0.000006 -0.000001 0.000007 8C 1f-1 0.000016 -0.000013 -0.000007 -0.000016 0.000000 -0.000009 8C 1f+2 0.000058 0.000027 -0.000002 -0.000040 0.000024 -0.000036 8C 1f-2 0.000043 0.000044 -0.000011 -0.000044 0.000016 -0.000043 8C 1f+3 -0.000035 -0.000043 -0.000003 0.000041 -0.000017 0.000041 8C 1f-3 0.000034 0.000026 0.000013 -0.000010 0.000007 -0.000016 9C 1s -0.000000 -0.000000 -0.000000 0.000000 -0.000001 -0.000001 9C 2s 0.000002 0.000003 0.000002 -0.000000 0.000006 0.000006 9C 3s 0.000175 0.000045 -0.000076 -0.000348 0.000248 0.000208 9C 4s -0.001124 -0.000364 0.000343 0.002130 -0.001800 -0.001312 9C 5s 0.000936 0.000849 0.000862 -0.001807 0.001984 0.001875 9C 1pz -0.000006 -0.000002 0.000002 0.000026 -0.000017 -0.000027 9C 1px 0.000002 -0.000004 -0.000010 0.000007 0.000007 -0.000013 9C 1py -0.000031 0.000002 0.000018 0.000029 -0.000005 -0.000011 9C 2pz 0.000562 0.000199 -0.000019 -0.001092 0.000918 0.000799 9C 2px 0.000064 0.000081 0.000000 -0.000236 0.000187 0.000434 9C 2py 0.000576 0.000110 -0.000169 -0.000789 0.000596 0.000541 9C 3pz -0.000185 -0.000217 -0.000379 0.000343 -0.000412 -0.000224 9C 3px -0.000017 -0.000162 -0.000038 -0.000007 -0.000061 -0.000642 9C 3py -0.000114 -0.000017 -0.000038 -0.000015 -0.000328 -0.000321 9C 1dz2 -0.000027 -0.000007 -0.000005 0.000031 -0.000013 0.000003 9C 1dxz -0.000010 -0.000005 0.000010 0.000010 -0.000016 -0.000029 9C 1dyz -0.000009 -0.000002 0.000008 0.000026 -0.000033 -0.000020 9C 1dx2y2 -0.000001 -0.000002 0.000011 -0.000007 0.000009 0.000008 9C 1dxy -0.000002 -0.000004 0.000005 0.000006 -0.000011 -0.000014 9C 2dz2 -0.000077 -0.000043 -0.000002 0.000164 -0.000236 -0.000240 9C 2dxz -0.000043 -0.000016 -0.000006 0.000104 -0.000062 0.000018 9C 2dyz -0.000280 -0.000084 0.000020 0.000465 -0.000297 -0.000371 9C 2dx2y2 0.000113 0.000024 -0.000056 -0.000157 0.000090 0.000017 9C 2dxy -0.000004 -0.000007 -0.000019 0.000099 -0.000040 -0.000076 9C 1f0 0.000002 0.000005 0.000010 0.000010 0.000020 0.000012 9C 1f+1 0.000000 0.000011 0.000006 -0.000022 0.000014 0.000032 9C 1f-1 0.000033 0.000009 -0.000007 -0.000063 0.000053 0.000034 9C 1f+2 -0.000032 -0.000006 0.000011 0.000045 -0.000034 -0.000033 9C 1f-2 0.000011 0.000008 -0.000010 -0.000026 0.000012 0.000027 9C 1f+3 0.000005 0.000001 -0.000002 -0.000005 0.000000 0.000006 9C 1f-3 0.000012 0.000001 -0.000003 -0.000014 0.000011 0.000017 10H 1s -0.000002 -0.000007 -0.000008 0.000010 -0.000019 -0.000009 10H 2s -0.000017 0.000033 0.000022 -0.000030 -0.000202 0.000003 10H 3s 0.000134 0.000062 0.000125 0.000049 0.000496 0.000119 10H 1pz -0.000006 -0.000003 -0.000020 -0.000005 -0.000028 -0.000021 10H 1px 0.000009 0.000001 -0.000001 0.000007 0.000045 0.000011 10H 1py -0.000003 0.000002 -0.000011 -0.000001 -0.000017 -0.000014 11H 1s 0.000009 0.000002 -0.000004 -0.000008 0.000026 -0.000004 11H 2s -0.000021 -0.000077 0.000086 -0.000055 0.000081 0.000040 11H 3s -0.000040 0.000157 0.000170 0.000179 -0.000177 0.000179 11H 1pz -0.000009 -0.000037 -0.000018 -0.000010 -0.000013 -0.000018 11H 1px 0.000001 -0.000011 0.000001 -0.000017 0.000027 -0.000008 11H 1py -0.000008 -0.000008 -0.000019 0.000007 -0.000022 -0.000010 12H 1s -0.000002 -0.000000 -0.000008 -0.000004 0.000013 -0.000004 12H 2s 0.000003 0.000078 0.000034 0.000014 0.000018 0.000029 12H 3s 0.000071 -0.000048 0.000403 -0.000106 -0.000154 0.000143 12H 1pz -0.000004 -0.000006 0.000008 0.000002 -0.000026 -0.000021 12H 1px 0.000000 0.000005 -0.000004 -0.000006 0.000021 -0.000009 12H 1py -0.000007 0.000008 -0.000007 0.000009 -0.000011 -0.000018 13H 1s 0.000015 0.000015 0.000009 -0.000006 -0.000005 -0.000004 13H 2s 0.000115 0.000017 -0.000041 -0.000021 -0.000071 0.000022 13H 3s -0.000421 -0.000255 -0.000093 -0.000053 0.000153 0.000044 13H 1pz 0.000039 0.000022 0.000009 -0.000005 -0.000021 0.000006 13H 1px -0.000017 -0.000006 0.000008 -0.000007 0.000006 -0.000001 13H 1py -0.000025 -0.000013 -0.000020 0.000000 0.000018 0.000000 14H 1s 0.000001 0.000007 0.000010 0.000002 0.000000 -0.000001 14H 2s -0.000072 -0.000021 -0.000062 -0.000080 0.000023 0.000088 14H 3s 0.000090 -0.000241 -0.000304 0.000213 0.000111 -0.000033 14H 1pz 0.000023 0.000022 0.000004 -0.000022 -0.000009 0.000014 14H 1px -0.000010 0.000011 0.000004 -0.000010 -0.000001 0.000014 14H 1py -0.000026 -0.000019 0.000001 0.000000 0.000001 -0.000006 15H 1s -0.000013 -0.000005 0.000012 0.000014 0.000012 -0.000004 15H 2s -0.000105 -0.000061 -0.000109 0.000108 0.000057 -0.000015 15H 3s -0.000032 -0.000287 -0.000291 -0.000190 -0.000048 -0.000011 15H 1pz 0.000023 0.000019 0.000011 -0.000017 -0.000024 -0.000001 15H 1px -0.000005 0.000006 0.000005 0.000010 -0.000004 -0.000001 15H 1py -0.000003 -0.000027 -0.000010 -0.000026 0.000011 0.000002 16H 1s -0.000000 0.000006 0.000002 0.000004 0.000012 0.000062 16H 2s -0.000005 -0.000117 -0.000046 0.000340 -0.000074 -0.000629 16H 3s -0.000001 -0.000079 0.000004 0.000165 0.000094 -0.000184 16H 1pz -0.000001 -0.000032 -0.000009 0.000089 -0.000007 -0.000099 16H 1px -0.000005 0.000001 -0.000005 -0.000033 -0.000012 0.000112 16H 1py -0.000001 0.000016 -0.000001 -0.000019 -0.000002 0.000012 17H 1s 0.000001 -0.000015 0.000005 -0.000048 0.000003 0.000049 17H 2s -0.000012 -0.000198 -0.000037 0.000325 -0.000052 -0.000483 17H 3s 0.000067 -0.000328 0.000021 0.000072 -0.000070 0.000271 17H 1pz 0.000009 0.000007 0.000008 -0.000037 0.000002 0.000060 17H 1px -0.000017 0.000076 0.000000 -0.000065 0.000026 0.000069 17H 1py -0.000001 0.000007 -0.000001 -0.000010 -0.000002 0.000004 18H 1s 0.000015 -0.000001 -0.000049 0.000004 -0.000049 -0.000005 18H 2s 0.000195 0.000009 0.000326 -0.000032 0.000479 0.000074 18H 3s 0.000323 -0.000066 0.000063 0.000021 -0.000280 0.000060 18H 1pz 0.000008 0.000008 0.000038 -0.000008 0.000061 0.000005 18H 1px 0.000074 -0.000018 0.000064 0.000000 0.000066 0.000030 18H 1py 0.000010 -0.000001 0.000009 0.000001 0.000006 -0.000001 19H 1s -0.000006 0.000000 0.000005 0.000002 -0.000062 -0.000014 19H 2s 0.000128 0.000003 0.000336 -0.000039 0.000625 0.000102 19H 3s 0.000091 -0.000002 0.000170 0.000008 0.000187 -0.000086 19H 1pz -0.000034 0.000000 -0.000087 0.000007 -0.000099 -0.000012 19H 1px 0.000004 -0.000005 0.000033 0.000006 0.000112 -0.000007 19H 1py 0.000015 -0.000002 0.000017 0.000002 0.000010 -0.000002 20H 1s 0.000006 0.000013 0.000014 0.000012 0.000005 -0.000012 20H 2s 0.000061 0.000103 0.000110 -0.000109 0.000016 -0.000058 20H 3s 0.000285 0.000030 -0.000185 -0.000292 0.000009 0.000049 20H 1pz 0.000019 0.000023 0.000017 -0.000011 -0.000000 -0.000024 20H 1px 0.000005 -0.000005 -0.000011 -0.000005 -0.000000 -0.000003 20H 1py -0.000027 -0.000003 0.000026 0.000011 0.000002 0.000011 21H 1s -0.000007 -0.000001 0.000002 0.000010 0.000001 -0.000000 21H 2s 0.000021 0.000073 -0.000078 -0.000064 -0.000087 -0.000027 21H 3s 0.000240 -0.000094 0.000215 -0.000300 0.000037 -0.000111 21H 1pz 0.000023 0.000022 0.000022 -0.000004 0.000014 -0.000008 21H 1px 0.000011 -0.000010 0.000010 -0.000003 0.000014 0.000000 21H 1py -0.000019 -0.000026 -0.000000 -0.000001 -0.000006 0.000001 22H 1s -0.000015 -0.000015 -0.000007 0.000009 0.000004 0.000005 22H 2s -0.000017 -0.000115 -0.000019 -0.000040 -0.000025 0.000070 22H 3s 0.000254 0.000421 -0.000049 -0.000098 -0.000038 -0.000156 22H 1pz 0.000022 0.000038 0.000005 -0.000009 0.000007 -0.000020 22H 1px -0.000006 -0.000017 0.000007 -0.000008 -0.000001 0.000007 22H 1py -0.000013 -0.000025 -0.000000 0.000021 -0.000001 0.000018 23H 1s 0.000000 0.000002 -0.000004 -0.000008 0.000005 -0.000014 23H 2s -0.000079 -0.000004 0.000011 0.000035 -0.000028 -0.000021 23H 3s 0.000049 -0.000068 -0.000112 0.000400 -0.000149 0.000155 23H 1pz -0.000006 -0.000004 -0.000002 -0.000008 -0.000020 -0.000028 23H 1px 0.000006 0.000000 0.000006 0.000003 -0.000010 0.000021 23H 1py 0.000009 -0.000007 -0.000008 0.000007 -0.000018 -0.000011 24H 1s -0.000002 -0.000009 -0.000007 -0.000004 0.000005 -0.000025 24H 2s 0.000079 0.000021 -0.000058 0.000086 -0.000037 -0.000079 24H 3s -0.000158 0.000038 0.000173 0.000167 -0.000183 0.000167 24H 1pz -0.000038 -0.000009 0.000010 0.000018 -0.000018 -0.000015 24H 1px -0.000011 0.000001 0.000017 -0.000001 -0.000009 0.000027 24H 1py -0.000008 -0.000008 -0.000007 0.000019 -0.000010 -0.000022 25H 1s 0.000007 0.000003 0.000010 -0.000008 0.000008 0.000019 25H 2s -0.000033 0.000017 -0.000031 0.000020 -0.000010 0.000202 25H 3s -0.000055 -0.000134 0.000042 0.000129 -0.000099 -0.000502 25H 1pz -0.000003 -0.000006 0.000005 0.000020 -0.000020 -0.000029 25H 1px 0.000001 0.000009 -0.000007 0.000001 0.000009 0.000045 25H 1py 0.000002 -0.000003 0.000001 0.000011 -0.000013 -0.000016 26O 1s 0.000000 0.000000 -0.000001 0.000000 0.000001 0.000000 26O 2s -0.000002 0.000000 0.000008 -0.000002 -0.000009 0.000001 26O 3s 0.000027 -0.000006 -0.000085 0.000051 0.000124 0.000096 26O 4s -0.000145 0.000039 0.000142 -0.000003 -0.000771 -0.000011 26O 5s 0.000226 0.000202 0.000395 -0.000315 0.001522 -0.003140 26O 1pz -0.000001 0.000013 -0.000034 0.000009 -0.000022 0.000031 26O 1px 0.000011 0.000001 0.000016 0.000015 0.000016 -0.000041 26O 1py -0.000011 -0.000008 0.000008 -0.000001 -0.000009 0.000005 26O 2pz 0.000003 -0.000050 0.000147 -0.000138 0.000077 -0.000290 26O 2px -0.000027 -0.000070 -0.000143 -0.000121 0.000047 0.000237 26O 2py 0.000065 -0.000028 -0.000067 -0.000108 0.000071 -0.000092 26O 3pz 0.000272 -0.000283 0.000294 -0.000834 0.000647 -0.000946 26O 3px 0.000198 -0.000272 0.000099 -0.000503 -0.000100 0.000580 26O 3py -0.000124 0.000425 0.000129 -0.000369 0.000461 -0.000483 26O 1dz2 -0.000013 0.000033 -0.000020 0.000014 -0.000013 -0.000011 26O 1dxz 0.000004 -0.000001 0.000013 0.000018 0.000018 -0.000010 26O 1dyz 0.000007 -0.000023 -0.000002 -0.000009 -0.000012 -0.000009 26O 1dx2y2 -0.000001 0.000006 0.000002 0.000030 0.000002 0.000013 26O 1dxy -0.000002 0.000017 0.000002 0.000011 0.000015 -0.000006 26O 2dz2 0.000049 -0.000161 0.000055 -0.000127 0.000063 -0.000042 26O 2dxz -0.000026 -0.000000 -0.000086 -0.000103 -0.000087 -0.000007 26O 2dyz -0.000026 0.000072 0.000008 -0.000031 0.000052 -0.000132 26O 2dx2y2 0.000001 0.000006 0.000017 -0.000088 0.000001 -0.000026 26O 2dxy 0.000001 -0.000047 0.000031 -0.000040 -0.000072 -0.000033 26O 1f0 0.000002 -0.000027 -0.000006 0.000001 0.000003 -0.000004 26O 1f+1 -0.000001 0.000003 0.000004 -0.000015 0.000000 -0.000014 26O 1f-1 -0.000000 -0.000006 0.000004 -0.000001 0.000000 0.000009 26O 1f+2 0.000002 -0.000011 0.000014 -0.000027 -0.000001 0.000003 26O 1f-2 0.000000 -0.000004 0.000004 -0.000019 -0.000007 0.000006 26O 1f+3 -0.000000 0.000007 -0.000003 -0.000004 0.000004 0.000003 26O 1f-3 0.000002 0.000004 0.000007 0.000022 0.000006 -0.000013 27O 1s -0.000000 0.000000 0.000001 -0.000001 -0.000000 -0.000000 27O 2s 0.000001 -0.000004 -0.000009 0.000003 0.000004 0.000003 27O 3s -0.000033 0.000031 0.000098 -0.000086 -0.000038 0.000020 27O 4s 0.000369 -0.000217 -0.000221 0.000093 -0.000100 -0.000053 27O 5s -0.000860 0.000859 -0.000293 0.000860 0.000662 -0.001586 27O 1pz 0.000028 -0.000009 0.000000 0.000007 -0.000017 0.000007 27O 1px -0.000018 0.000017 -0.000022 -0.000000 0.000013 -0.000034 27O 1py -0.000016 0.000018 -0.000029 0.000017 0.000024 -0.000006 27O 2pz -0.000119 0.000059 -0.000007 0.000074 0.000071 -0.000047 27O 2px 0.000029 0.000045 0.000189 0.000027 -0.000087 0.000347 27O 2py 0.000070 -0.000118 0.000123 -0.000169 -0.000086 -0.000013 27O 3pz -0.000416 -0.000047 -0.000286 0.000145 0.000066 -0.000079 27O 3px -0.000312 -0.000269 -0.000177 0.000447 -0.000027 0.000397 27O 3py 0.000546 -0.000152 0.000157 -0.001199 -0.000459 0.000233 27O 1dz2 0.000013 0.000010 0.000005 0.000044 0.000008 -0.000000 27O 1dxz -0.000011 0.000018 -0.000004 0.000004 0.000003 0.000011 27O 1dyz -0.000016 -0.000009 -0.000012 -0.000016 0.000013 0.000005 27O 1dx2y2 -0.000014 0.000012 -0.000009 0.000006 0.000019 -0.000010 27O 1dxy 0.000012 -0.000009 0.000008 0.000001 -0.000015 0.000016 27O 2dz2 -0.000048 -0.000031 0.000008 -0.000199 -0.000049 0.000047 27O 2dxz 0.000085 -0.000053 0.000029 0.000016 -0.000021 -0.000031 27O 2dyz 0.000070 -0.000010 0.000060 -0.000016 -0.000066 0.000001 27O 2dx2y2 0.000051 -0.000132 -0.000011 -0.000085 -0.000033 -0.000036 27O 2dxy -0.000064 0.000023 -0.000049 -0.000067 0.000071 -0.000038 27O 1f0 0.000006 0.000007 0.000001 -0.000009 -0.000001 -0.000011 27O 1f+1 -0.000004 -0.000006 -0.000003 -0.000013 0.000006 -0.000022 27O 1f-1 0.000004 0.000004 -0.000002 0.000037 0.000002 -0.000006 27O 1f+2 -0.000010 -0.000016 -0.000004 0.000011 0.000000 -0.000009 27O 1f-2 -0.000003 0.000013 -0.000006 0.000001 0.000006 0.000003 27O 1f+3 0.000002 -0.000003 -0.000009 0.000016 0.000008 -0.000006 27O 1f-3 0.000004 -0.000025 -0.000008 0.000012 0.000002 0.000016 28O 1s -0.000000 -0.000000 0.000000 -0.000001 -0.000001 -0.000001 28O 2s 0.000001 0.000002 -0.000001 0.000008 0.000003 0.000008 28O 3s -0.000003 -0.000009 0.000034 -0.000106 -0.000138 -0.000096 28O 4s 0.000002 -0.000093 0.000077 0.000433 0.000165 0.000282 28O 5s -0.000464 0.000378 -0.000555 -0.000293 0.002618 -0.000079 28O 1pz -0.000004 -0.000013 0.000021 -0.000008 -0.000000 -0.000003 28O 1px 0.000008 -0.000017 0.000010 -0.000006 -0.000015 -0.000032 28O 1py 0.000004 0.000001 -0.000002 0.000014 -0.000006 -0.000014 28O 2pz 0.000046 0.000058 -0.000246 -0.000029 0.000005 -0.000008 28O 2px -0.000059 0.000074 0.000051 0.000128 0.000288 0.000216 28O 2py -0.000001 -0.000004 -0.000095 -0.000074 0.000123 0.000076 28O 3pz 0.000268 0.000343 -0.000804 -0.000330 0.001421 0.000303 28O 3px -0.000236 0.000103 -0.000273 0.000009 0.000507 -0.000321 28O 3py 0.000135 -0.000058 0.000043 -0.000008 0.000863 0.000155 28O 1dz2 -0.000019 -0.000004 0.000020 0.000000 -0.000007 0.000006 28O 1dxz 0.000005 -0.000020 0.000013 0.000005 0.000013 -0.000010 28O 1dyz 0.000009 -0.000003 -0.000013 -0.000003 0.000001 0.000001 28O 1dx2y2 0.000001 -0.000012 0.000038 0.000001 -0.000013 0.000004 28O 1dxy -0.000013 0.000002 -0.000005 0.000001 0.000011 -0.000009 28O 2dz2 0.000092 -0.000015 -0.000145 -0.000005 0.000110 -0.000042 28O 2dxz -0.000003 0.000076 -0.000134 -0.000052 -0.000109 0.000021 28O 2dyz -0.000046 0.000028 -0.000034 0.000025 0.000132 -0.000009 28O 2dx2y2 -0.000004 0.000064 -0.000087 0.000022 0.000072 0.000020 28O 2dxy 0.000053 -0.000016 -0.000005 -0.000019 -0.000030 0.000057 28O 1f0 0.000017 0.000008 -0.000019 0.000006 0.000029 0.000003 28O 1f+1 -0.000010 -0.000007 -0.000005 -0.000007 -0.000018 -0.000006 28O 1f-1 0.000002 -0.000004 -0.000009 0.000001 0.000001 -0.000004 28O 1f+2 0.000004 0.000001 -0.000024 -0.000002 -0.000010 -0.000003 28O 1f-2 -0.000004 0.000010 -0.000010 0.000001 -0.000035 -0.000006 28O 1f+3 0.000007 -0.000005 -0.000001 -0.000002 -0.000027 -0.000007 28O 1f-3 -0.000007 0.000004 0.000010 0.000002 0.000004 -0.000007 29O 1s -0.000000 0.000001 -0.000000 -0.000000 -0.000000 -0.000001 29O 2s 0.000001 -0.000009 0.000001 0.000003 0.000004 0.000016 29O 3s -0.000008 0.000061 -0.000015 -0.000009 -0.000042 -0.000129 29O 4s 0.000020 -0.000155 0.000032 0.000138 0.000101 -0.000145 29O 5s -0.000017 0.000467 0.000009 -0.000844 -0.000100 0.001644 29O 1pz 0.000001 -0.000003 -0.000001 -0.000002 -0.000005 -0.000023 29O 1px -0.000004 -0.000010 0.000001 -0.000019 0.000008 0.000106 29O 1py -0.000006 0.000030 -0.000003 -0.000027 0.000001 0.000034 29O 2pz -0.000008 0.000003 0.000001 0.000026 0.000016 0.000062 29O 2px 0.000011 0.000040 0.000003 0.000025 -0.000017 -0.000267 29O 2py 0.000027 -0.000094 0.000008 0.000118 -0.000012 -0.000172 29O 3pz 0.000014 0.000050 -0.000032 0.000066 -0.000063 -0.000105 29O 3px -0.000001 0.000188 0.000005 0.000027 0.000028 -0.000544 29O 3py -0.000112 -0.000166 -0.000092 0.000276 -0.000055 -0.000402 29O 1dz2 0.000000 -0.000018 0.000001 -0.000007 0.000002 0.000041 29O 1dxz -0.000000 -0.000006 0.000001 -0.000000 0.000004 0.000007 29O 1dyz -0.000000 0.000026 -0.000001 0.000007 0.000002 0.000002 29O 1dx2y2 -0.000000 0.000026 -0.000001 -0.000006 -0.000005 -0.000072 29O 1dxy -0.000000 -0.000034 -0.000001 0.000033 -0.000001 -0.000029 29O 2dz2 -0.000001 0.000069 -0.000002 0.000001 -0.000003 -0.000132 29O 2dxz -0.000000 0.000037 -0.000003 -0.000008 -0.000011 -0.000037 29O 2dyz 0.000002 -0.000092 0.000004 -0.000033 -0.000010 0.000004 29O 2dx2y2 0.000001 -0.000102 0.000003 0.000021 0.000018 0.000287 29O 2dxy 0.000002 0.000093 0.000002 -0.000091 -0.000001 0.000095 29O 1f0 0.000000 0.000002 -0.000001 0.000006 -0.000003 -0.000022 29O 1f+1 -0.000000 -0.000007 0.000001 -0.000004 0.000001 0.000024 29O 1f-1 0.000002 -0.000010 -0.000000 0.000007 -0.000002 -0.000011 29O 1f+2 0.000002 -0.000009 0.000002 -0.000006 0.000001 0.000019 29O 1f-2 -0.000001 0.000013 -0.000000 0.000001 0.000001 -0.000005 29O 1f+3 0.000001 -0.000011 0.000002 -0.000000 0.000004 0.000047 29O 1f-3 -0.000001 0.000026 -0.000001 -0.000022 -0.000001 0.000022 30O 1s 0.000000 0.000000 -0.000000 0.000001 -0.000000 0.000000 30O 2s -0.000004 -0.000001 0.000001 -0.000009 0.000001 -0.000004 30O 3s 0.000065 0.000005 -0.000049 0.000114 -0.000053 0.000043 30O 4s -0.000172 0.000201 -0.000051 -0.000494 0.000171 -0.000028 30O 5s -0.000078 -0.000904 0.000846 0.000602 0.000999 -0.000131 30O 1pz -0.000003 -0.000009 0.000003 -0.000013 0.000002 0.000004 30O 1px -0.000019 0.000039 -0.000016 -0.000006 -0.000019 0.000006 30O 1py -0.000004 -0.000020 0.000019 -0.000008 -0.000008 -0.000011 30O 2pz 0.000018 0.000052 0.000134 0.000108 -0.000114 0.000002 30O 2px -0.000018 -0.000177 0.000047 -0.000063 0.000242 -0.000036 30O 2py -0.000007 0.000083 -0.000238 -0.000008 0.000125 0.000032 30O 3pz -0.000002 -0.000409 0.000231 0.000209 0.000133 -0.000113 30O 3px 0.000067 -0.000074 0.000215 0.000107 0.000341 -0.000192 30O 3py 0.000686 0.000377 -0.000927 -0.000152 0.000094 -0.000167 30O 1dz2 -0.000014 -0.000005 0.000030 -0.000001 -0.000002 -0.000000 30O 1dxz -0.000025 0.000014 0.000014 -0.000012 -0.000022 0.000011 30O 1dyz 0.000001 0.000003 -0.000017 0.000000 -0.000004 -0.000010 30O 1dx2y2 -0.000020 0.000007 0.000007 -0.000007 -0.000001 0.000006 30O 1dxy 0.000002 -0.000020 -0.000005 -0.000001 -0.000006 -0.000003 30O 2dz2 0.000068 0.000038 -0.000143 -0.000015 -0.000021 0.000018 30O 2dxz 0.000129 -0.000032 0.000015 0.000078 0.000020 -0.000031 30O 2dyz 0.000018 -0.000009 -0.000011 0.000017 -0.000027 0.000050 30O 2dx2y2 0.000075 -0.000069 -0.000126 0.000013 0.000038 -0.000029 30O 2dxy -0.000040 0.000082 -0.000078 -0.000004 0.000085 -0.000004 30O 1f0 -0.000002 -0.000006 -0.000012 0.000002 0.000016 -0.000002 30O 1f+1 0.000010 0.000002 -0.000005 -0.000007 0.000011 0.000004 30O 1f-1 -0.000008 -0.000004 0.000023 -0.000006 -0.000007 0.000004 30O 1f+2 0.000022 0.000002 0.000001 0.000009 0.000003 0.000001 30O 1f-2 -0.000024 0.000005 0.000008 -0.000002 -0.000006 0.000003 30O 1f+3 0.000020 0.000008 -0.000000 0.000008 -0.000011 0.000001 30O 1f-3 0.000024 0.000000 -0.000010 0.000000 -0.000022 0.000004 31O 1s -0.000000 -0.000000 0.000001 -0.000000 -0.000000 0.000000 31O 2s 0.000001 0.000004 -0.000009 0.000001 0.000004 -0.000001 31O 3s -0.000004 -0.000064 0.000114 -0.000047 -0.000045 0.000053 31O 4s -0.000205 0.000169 -0.000492 -0.000056 0.000035 -0.000175 31O 5s 0.000910 0.000065 0.000584 0.000864 0.000169 -0.001011 31O 1pz -0.000009 -0.000003 0.000013 -0.000003 0.000004 0.000002 31O 1px 0.000039 -0.000019 0.000006 0.000016 0.000007 -0.000019 31O 1py -0.000020 -0.000004 0.000008 -0.000019 -0.000011 -0.000008 31O 2pz 0.000052 0.000015 -0.000106 -0.000135 0.000007 -0.000116 31O 2px -0.000176 -0.000016 0.000065 -0.000047 -0.000045 0.000243 31O 2py 0.000083 -0.000002 0.000003 0.000236 0.000027 0.000128 31O 3pz -0.000409 -0.000012 -0.000202 -0.000227 -0.000120 0.000123 31O 3px -0.000076 0.000074 -0.000104 -0.000223 -0.000205 0.000340 31O 3py 0.000379 0.000704 0.000133 0.000915 -0.000168 0.000094 31O 1dz2 0.000005 0.000014 -0.000001 0.000030 0.000000 0.000002 31O 1dxz -0.000014 0.000025 -0.000012 0.000013 -0.000012 0.000022 31O 1dyz -0.000003 -0.000002 0.000000 -0.000017 0.000010 0.000004 31O 1dx2y2 -0.000007 0.000020 -0.000007 0.000007 -0.000006 0.000000 31O 1dxy 0.000020 -0.000002 -0.000001 -0.000005 0.000003 0.000006 31O 2dz2 -0.000038 -0.000069 -0.000012 -0.000143 -0.000019 0.000020 31O 2dxz 0.000032 -0.000127 0.000077 0.000016 0.000032 -0.000017 31O 2dyz 0.000009 -0.000018 0.000017 -0.000011 -0.000051 0.000026 31O 2dx2y2 0.000069 -0.000077 0.000014 -0.000125 0.000030 -0.000037 31O 2dxy -0.000082 0.000038 -0.000002 -0.000078 0.000007 -0.000085 31O 1f0 -0.000006 -0.000002 -0.000003 0.000012 -0.000003 0.000016 31O 1f+1 0.000002 0.000010 0.000007 0.000005 0.000004 0.000011 31O 1f-1 -0.000004 -0.000008 0.000007 -0.000023 0.000004 -0.000007 31O 1f+2 0.000002 0.000022 -0.000009 -0.000002 0.000001 0.000003 31O 1f-2 0.000005 -0.000025 0.000002 -0.000008 0.000004 -0.000006 31O 1f+3 0.000008 0.000020 -0.000008 -0.000000 0.000002 -0.000011 31O 1f-3 0.000000 0.000024 -0.000001 0.000010 0.000005 -0.000022 32O 1s -0.000001 0.000000 -0.000000 -0.000000 0.000001 0.000000 32O 2s 0.000009 -0.000001 0.000003 0.000001 -0.000015 -0.000005 32O 3s -0.000061 0.000007 -0.000009 -0.000015 0.000128 0.000048 32O 4s 0.000158 -0.000019 0.000136 0.000033 0.000146 -0.000096 32O 5s -0.000477 0.000020 -0.000839 -0.000003 -0.001640 0.000030 32O 1pz -0.000003 0.000002 0.000001 0.000001 -0.000023 -0.000005 32O 1px -0.000010 -0.000004 0.000019 -0.000000 0.000105 0.000013 32O 1py 0.000031 -0.000006 0.000027 0.000003 0.000033 0.000002 32O 2pz 0.000003 -0.000008 -0.000021 -0.000002 0.000063 0.000019 32O 2px 0.000039 0.000011 -0.000024 -0.000003 -0.000264 -0.000028 32O 2py -0.000095 0.000028 -0.000117 -0.000010 -0.000171 -0.000020 32O 3pz 0.000042 0.000015 -0.000065 0.000029 -0.000100 -0.000066 32O 3px 0.000187 -0.000002 -0.000028 -0.000006 -0.000544 0.000007 32O 3py -0.000167 -0.000110 -0.000276 0.000089 -0.000403 -0.000072 32O 1dz2 0.000018 -0.000000 -0.000007 0.000001 -0.000041 -0.000003 32O 1dxz 0.000006 0.000000 -0.000000 0.000001 -0.000006 -0.000004 32O 1dyz -0.000026 0.000000 0.000007 -0.000001 -0.000001 -0.000002 32O 1dx2y2 -0.000026 0.000000 -0.000006 -0.000001 0.000071 0.000008 32O 1dxy 0.000034 0.000000 0.000033 -0.000000 0.000030 0.000002 32O 2dz2 -0.000070 0.000002 0.000003 -0.000002 0.000134 0.000008 32O 2dxz -0.000037 0.000000 -0.000008 -0.000004 0.000036 0.000012 32O 2dyz 0.000089 -0.000001 -0.000035 0.000003 -0.000008 0.000010 32O 2dx2y2 0.000102 -0.000001 0.000020 0.000003 -0.000284 -0.000030 32O 2dxy -0.000095 -0.000002 -0.000090 0.000001 -0.000096 -0.000003 32O 1f0 0.000002 -0.000000 -0.000005 0.000001 -0.000022 -0.000004 32O 1f+1 -0.000007 -0.000000 0.000005 -0.000001 0.000025 0.000003 32O 1f-1 -0.000010 0.000002 -0.000007 0.000000 -0.000011 -0.000003 32O 1f+2 -0.000009 0.000002 0.000006 -0.000002 0.000020 0.000002 32O 1f-2 0.000013 -0.000001 -0.000001 0.000000 -0.000005 0.000001 32O 1f+3 -0.000011 0.000001 0.000000 -0.000002 0.000046 0.000006 32O 1f-3 0.000026 -0.000001 0.000022 0.000001 0.000022 -0.000000 33O 1s 0.000000 0.000000 -0.000001 0.000000 0.000001 0.000001 33O 2s -0.000001 -0.000001 0.000008 -0.000001 -0.000008 -0.000003 33O 3s 0.000008 0.000004 -0.000107 0.000032 0.000091 0.000142 33O 4s 0.000097 -0.000003 0.000432 0.000087 -0.000276 -0.000176 33O 5s -0.000373 0.000465 -0.000282 -0.000560 0.000188 -0.002609 33O 1pz -0.000013 -0.000005 0.000009 -0.000021 -0.000003 -0.000000 33O 1px -0.000017 0.000008 0.000006 -0.000010 -0.000032 -0.000017 33O 1py 0.000001 0.000004 -0.000014 0.000002 -0.000014 -0.000006 33O 2pz 0.000059 0.000049 0.000025 0.000247 -0.000008 0.000006 33O 2px 0.000072 -0.000061 -0.000128 -0.000054 0.000204 0.000296 33O 2py -0.000004 0.000000 0.000073 0.000096 0.000071 0.000125 33O 3pz 0.000345 0.000273 0.000312 0.000806 0.000242 0.001434 33O 3px 0.000101 -0.000234 -0.000015 0.000271 -0.000342 0.000493 33O 3py -0.000058 0.000134 0.000008 -0.000043 0.000118 0.000869 33O 1dz2 0.000004 0.000019 0.000000 0.000020 -0.000007 0.000007 33O 1dxz 0.000020 -0.000004 0.000005 0.000013 0.000010 -0.000012 33O 1dyz 0.000003 -0.000009 -0.000003 -0.000013 -0.000001 -0.000001 33O 1dx2y2 0.000012 -0.000001 0.000001 0.000038 -0.000005 0.000013 33O 1dxy -0.000002 0.000013 0.000001 -0.000005 0.000009 -0.000011 33O 2dz2 0.000015 -0.000094 -0.000003 -0.000144 0.000047 -0.000108 33O 2dxz -0.000076 0.000002 -0.000049 -0.000135 -0.000025 0.000108 33O 2dyz -0.000028 0.000046 0.000025 -0.000034 0.000014 -0.000132 33O 2dx2y2 -0.000064 0.000004 0.000024 -0.000086 -0.000017 -0.000073 33O 2dxy 0.000016 -0.000053 -0.000019 -0.000004 -0.000058 0.000028 33O 1f0 0.000008 0.000017 -0.000006 0.000019 0.000002 0.000029 33O 1f+1 -0.000007 -0.000010 0.000007 0.000006 -0.000005 -0.000018 33O 1f-1 -0.000004 0.000002 -0.000002 0.000009 -0.000004 0.000001 33O 1f+2 0.000001 0.000004 0.000002 0.000024 -0.000003 -0.000010 33O 1f-2 0.000010 -0.000004 -0.000002 0.000010 -0.000005 -0.000035 33O 1f+3 -0.000005 0.000007 0.000002 0.000001 -0.000006 -0.000027 33O 1f-3 0.000004 -0.000007 -0.000002 -0.000010 -0.000007 0.000003 34O 1s -0.000000 0.000000 -0.000001 0.000001 0.000000 0.000000 34O 2s 0.000004 -0.000001 0.000003 -0.000009 -0.000002 -0.000004 34O 3s -0.000032 0.000034 -0.000088 0.000096 -0.000022 0.000037 34O 4s 0.000217 -0.000372 0.000098 -0.000216 0.000052 0.000103 34O 5s -0.000862 0.000854 0.000871 -0.000283 0.001615 -0.000606 34O 1pz -0.000008 0.000028 -0.000007 -0.000001 0.000007 -0.000016 34O 1px 0.000017 -0.000018 -0.000000 0.000022 -0.000035 0.000012 34O 1py 0.000018 -0.000016 -0.000017 0.000029 -0.000007 0.000024 34O 2pz 0.000057 -0.000119 -0.000075 0.000007 -0.000050 0.000068 34O 2px 0.000043 0.000027 -0.000024 -0.000189 0.000351 -0.000074 34O 2py -0.000115 0.000069 0.000172 -0.000121 -0.000010 -0.000086 34O 3pz -0.000050 -0.000412 -0.000149 0.000287 -0.000079 0.000064 34O 3px -0.000281 -0.000311 -0.000444 0.000175 0.000406 -0.000015 34O 3py -0.000138 0.000545 0.001201 -0.000143 0.000247 -0.000451 34O 1dz2 -0.000010 -0.000013 0.000044 0.000006 0.000001 -0.000008 34O 1dxz -0.000018 0.000011 0.000004 -0.000004 -0.000011 -0.000003 34O 1dyz 0.000009 0.000016 -0.000016 -0.000012 -0.000004 -0.000013 34O 1dx2y2 -0.000012 0.000014 0.000007 -0.000009 0.000011 -0.000018 34O 1dxy 0.000009 -0.000012 0.000001 0.000008 -0.000017 0.000014 34O 2dz2 0.000030 0.000048 -0.000199 0.000004 -0.000049 0.000048 34O 2dxz 0.000054 -0.000085 0.000015 0.000030 0.000030 0.000022 34O 2dyz 0.000009 -0.000069 -0.000017 0.000060 -0.000004 0.000066 34O 2dx2y2 0.000130 -0.000052 -0.000086 -0.000012 0.000036 0.000034 34O 2dxy -0.000023 0.000063 -0.000066 -0.000051 0.000040 -0.000069 34O 1f0 0.000007 0.000006 0.000009 -0.000001 -0.000011 -0.000001 34O 1f+1 -0.000006 -0.000004 0.000013 0.000003 -0.000023 0.000006 34O 1f-1 0.000003 0.000004 -0.000037 0.000001 -0.000006 0.000002 34O 1f+2 -0.000016 -0.000010 -0.000011 0.000004 -0.000009 -0.000000 34O 1f-2 0.000013 -0.000003 -0.000001 0.000006 0.000003 0.000006 34O 1f+3 -0.000003 0.000002 -0.000016 0.000009 -0.000007 0.000008 34O 1f-3 -0.000025 0.000004 -0.000012 0.000007 0.000016 0.000003 35O 1s -0.000000 -0.000000 0.000000 -0.000001 -0.000000 -0.000001 35O 2s -0.000000 0.000002 -0.000002 0.000008 -0.000001 0.000009 35O 3s 0.000006 -0.000028 0.000051 -0.000084 -0.000091 -0.000128 35O 4s -0.000039 0.000145 -0.000002 0.000140 -0.000018 0.000771 35O 5s -0.000192 -0.000219 -0.000307 0.000392 0.003218 -0.001390 35O 1pz 0.000013 -0.000001 -0.000010 0.000034 0.000032 -0.000021 35O 1px 0.000001 0.000011 -0.000015 -0.000016 -0.000042 0.000014 35O 1py -0.000008 -0.000011 0.000002 -0.000008 0.000005 -0.000009 35O 2pz -0.000048 0.000001 0.000141 -0.000145 -0.000293 0.000065 35O 2px -0.000068 -0.000026 0.000122 0.000145 0.000237 0.000057 35O 2py -0.000026 0.000065 0.000108 0.000068 -0.000093 0.000068 35O 3pz -0.000274 0.000270 0.000842 -0.000284 -0.000969 0.000608 35O 3px -0.000259 0.000197 0.000514 -0.000092 0.000595 -0.000075 35O 3py 0.000433 -0.000127 0.000373 -0.000121 -0.000497 0.000442 35O 1dz2 -0.000033 0.000013 0.000014 -0.000020 0.000011 0.000014 35O 1dxz 0.000001 -0.000004 0.000018 0.000013 0.000011 -0.000017 35O 1dyz 0.000022 -0.000007 -0.000009 -0.000002 0.000009 0.000013 35O 1dx2y2 -0.000006 0.000001 0.000030 0.000002 -0.000013 -0.000003 35O 1dxy -0.000017 0.000003 0.000011 0.000002 0.000006 -0.000015 35O 2dz2 0.000160 -0.000048 -0.000130 0.000053 0.000043 -0.000061 35O 2dxz -0.000001 0.000025 -0.000102 -0.000088 0.000003 0.000088 35O 2dyz -0.000072 0.000027 -0.000031 0.000007 0.000134 -0.000046 35O 2dx2y2 -0.000006 -0.000001 -0.000087 0.000016 0.000027 -0.000000 35O 2dxy 0.000047 -0.000001 -0.000040 0.000030 0.000031 0.000074 35O 1f0 -0.000027 0.000002 -0.000001 0.000006 -0.000004 0.000003 35O 1f+1 0.000003 -0.000001 0.000015 -0.000004 -0.000014 -0.000000 35O 1f-1 -0.000006 -0.000000 0.000001 -0.000004 0.000009 0.000001 35O 1f+2 -0.000011 0.000002 0.000027 -0.000013 0.000003 -0.000000 35O 1f-2 -0.000004 0.000000 0.000019 -0.000004 0.000007 -0.000007 35O 1f+3 0.000007 -0.000000 0.000004 0.000003 0.000003 0.000004 35O 1f-3 0.000004 0.000001 -0.000022 -0.000008 -0.000013 0.000006 36 37 38 39 40 41 -11.33750 -11.33744 -10.24223 -10.24221 -10.24200 -10.24192 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s 0.000000 -0.000050 -0.000001 -0.000000 -0.000000 0.000000 0Rh 2s 0.000017 0.000145 -0.000006 -0.000002 -0.000005 0.000003 0Rh 3s 0.000014 -0.000165 -0.000007 -0.000003 -0.000006 0.000004 0Rh 4s -0.000071 -0.000258 0.000020 0.000006 0.000017 -0.000009 0Rh 5s 0.000200 0.000300 -0.000006 0.000021 0.000002 -0.000016 0Rh 6s -0.000483 -0.000427 -0.000078 -0.000119 -0.000094 0.000110 0Rh 7s 0.001956 0.001522 0.000343 0.000414 0.000319 -0.000471 0Rh 8s 0.000337 -0.001113 0.000374 0.000506 0.000480 -0.000399 0Rh 1pz 0.000006 0.000038 -0.000002 0.000003 -0.000003 -0.000004 0Rh 1px -0.000001 0.000144 -0.000002 0.000001 -0.000001 -0.000000 0Rh 1py -0.000000 0.000023 0.000003 -0.000004 -0.000002 -0.000003 0Rh 2pz -0.000027 -0.000081 0.000010 -0.000012 0.000016 0.000019 0Rh 2px 0.000012 -0.000368 0.000009 -0.000004 0.000006 0.000002 0Rh 2py 0.000001 -0.000058 -0.000017 0.000019 0.000012 0.000013 0Rh 3pz 0.000152 -0.000140 -0.000061 0.000077 -0.000100 -0.000120 0Rh 3px -0.000135 0.000048 -0.000053 0.000028 -0.000038 -0.000010 0Rh 3py -0.000017 -0.000006 0.000103 -0.000118 -0.000077 -0.000077 0Rh 4pz -0.000383 0.000259 0.000159 -0.000201 0.000262 0.000310 0Rh 4px 0.000424 -0.000002 0.000137 -0.000071 0.000101 0.000027 0Rh 4py 0.000060 0.000026 -0.000268 0.000309 0.000202 0.000200 0Rh 5pz 0.000421 -0.000418 -0.000213 0.000264 -0.000346 -0.000407 0Rh 5px -0.000658 -0.000096 -0.000169 0.000092 -0.000136 -0.000048 0Rh 5py -0.000097 -0.000068 0.000356 -0.000408 -0.000266 -0.000265 0Rh 6pz 0.001679 0.001811 0.000059 0.000076 -0.000017 -0.000079 0Rh 6px -0.000778 0.001100 -0.000136 0.000225 0.000222 0.000198 0Rh 6py -0.000154 0.000713 -0.000154 -0.000091 -0.000085 -0.000053 0Rh 1dz2 0.010740 0.600140 0.000002 0.000001 -0.000000 0.000001 0Rh 1dxz -0.003647 -0.188781 -0.000000 0.000001 -0.000001 -0.000002 0Rh 1dyz 0.000534 0.035391 0.000002 0.000003 -0.000003 0.000003 0Rh 1dx2y2 -0.007678 -0.438149 -0.000001 0.000000 -0.000001 0.000001 0Rh 1dxy -0.002919 -0.163732 0.000002 -0.000001 -0.000002 0.000000 0Rh 2dz2 0.003917 0.219621 -0.000014 -0.000007 0.000000 -0.000008 0Rh 2dxz -0.001348 -0.068942 -0.000000 -0.000009 0.000004 0.000014 0Rh 2dyz 0.000197 0.013127 -0.000016 -0.000022 0.000019 -0.000016 0Rh 2dx2y2 -0.002778 -0.160345 0.000009 -0.000002 0.000010 -0.000010 0Rh 2dxy -0.001052 -0.059710 -0.000014 0.000003 0.000015 -0.000001 0Rh 3dz2 0.000808 0.042950 0.000039 0.000020 0.000000 0.000020 0Rh 3dxz -0.000214 -0.013275 0.000003 0.000025 -0.000008 -0.000041 0Rh 3dyz 0.000043 0.002637 0.000043 0.000059 -0.000051 0.000044 0Rh 3dx2y2 -0.000641 -0.031500 -0.000028 0.000002 -0.000030 0.000029 0Rh 3dxy -0.000245 -0.011676 0.000038 -0.000009 -0.000041 0.000004 0Rh 4dz2 -0.000180 -0.004932 -0.000074 -0.000041 -0.000012 -0.000015 0Rh 4dxz -0.000026 0.001170 -0.000023 -0.000057 -0.000001 0.000085 0Rh 4dyz -0.000003 -0.000536 -0.000068 -0.000091 0.000080 -0.000059 0Rh 4dx2y2 0.000252 0.003869 0.000074 0.000021 0.000073 -0.000074 0Rh 4dxy 0.000104 0.001353 -0.000053 0.000024 0.000073 -0.000011 0Rh 5dz2 0.000095 0.003314 0.000022 0.000020 0.000119 -0.000190 0Rh 5dxz -0.000419 -0.000045 0.000144 0.000122 0.000123 -0.000118 0Rh 5dyz -0.000119 0.000841 -0.000124 -0.000175 0.000139 -0.000222 0Rh 5dx2y2 0.000021 -0.003058 -0.000205 -0.000213 -0.000157 0.000178 0Rh 5dxy -0.000034 -0.000915 -0.000122 -0.000108 0.000020 -0.000013 0Rh 1f0 -0.000056 0.000009 0.000008 -0.000019 0.000006 -0.000013 0Rh 1f+1 -0.000008 -0.000035 0.000006 0.000009 -0.000018 0.000004 0Rh 1f-1 0.000008 0.000000 -0.000007 -0.000015 -0.000016 -0.000035 0Rh 1f+2 0.000059 -0.000012 0.000007 -0.000028 0.000017 0.000011 0Rh 1f-2 0.000028 -0.000001 0.000034 0.000002 -0.000031 0.000013 0Rh 1f+3 0.000042 -0.000024 -0.000020 0.000009 -0.000006 -0.000003 0Rh 1f-3 0.000018 -0.000019 -0.000008 -0.000022 0.000005 -0.000014 1Rh 1s -0.000050 0.000002 -0.000000 -0.000001 -0.000000 0.000000 1Rh 2s 0.000145 0.000012 -0.000003 -0.000006 -0.000003 0.000005 1Rh 3s -0.000164 0.000020 -0.000003 -0.000007 -0.000004 0.000006 1Rh 4s -0.000259 -0.000062 0.000007 0.000020 0.000009 -0.000017 1Rh 5s 0.000306 0.000188 0.000021 -0.000007 0.000016 -0.000001 1Rh 6s -0.000443 -0.000467 -0.000122 -0.000072 -0.000110 0.000092 1Rh 7s 0.001586 0.001898 0.000428 0.000322 0.000473 -0.000312 1Rh 8s -0.001084 0.000384 0.000519 0.000355 0.000404 -0.000476 1Rh 1pz -0.000038 -0.000005 -0.000002 0.000002 -0.000004 -0.000003 1Rh 1px -0.000145 0.000006 -0.000001 0.000002 -0.000000 -0.000001 1Rh 1py -0.000023 0.000001 0.000004 -0.000003 -0.000003 -0.000003 1Rh 2pz 0.000081 0.000024 0.000012 -0.000010 0.000019 0.000016 1Rh 2px 0.000368 -0.000026 0.000004 -0.000009 0.000002 0.000006 1Rh 2py 0.000058 -0.000003 -0.000018 0.000017 0.000012 0.000012 1Rh 3pz 0.000135 -0.000157 -0.000074 0.000065 -0.000119 -0.000101 1Rh 3px -0.000043 0.000136 -0.000025 0.000054 -0.000010 -0.000038 1Rh 3py 0.000007 0.000017 0.000114 -0.000107 -0.000077 -0.000078 1Rh 4pz -0.000246 0.000391 0.000194 -0.000168 0.000308 0.000265 1Rh 4px -0.000013 -0.000423 0.000065 -0.000140 0.000026 0.000101 1Rh 4py -0.000029 -0.000059 -0.000299 0.000279 0.000199 0.000203 1Rh 5pz 0.000403 -0.000435 -0.000255 0.000224 -0.000404 -0.000350 1Rh 5px 0.000119 0.000653 -0.000084 0.000173 -0.000046 -0.000136 1Rh 5py 0.000072 0.000094 0.000394 -0.000370 -0.000263 -0.000268 1Rh 6pz -0.001873 -0.001612 -0.000077 -0.000061 -0.000076 -0.000015 1Rh 6px -0.001076 0.000814 -0.000218 0.000144 0.000193 0.000220 1Rh 6py -0.000704 0.000177 0.000093 0.000153 -0.000049 -0.000081 1Rh 1dz2 0.600136 -0.010682 0.000001 0.000002 -0.000001 0.000000 1Rh 1dxz -0.188395 0.003097 0.000001 -0.000000 0.000002 0.000001 1Rh 1dyz 0.035625 -0.000727 0.000003 0.000002 -0.000003 0.000003 1Rh 1dx2y2 -0.438278 0.007959 0.000000 -0.000001 -0.000001 0.000001 1Rh 1dxy -0.163795 0.002927 -0.000000 0.000002 -0.000000 0.000002 1Rh 2dz2 0.219619 -0.003922 -0.000007 -0.000014 0.000008 -0.000000 1Rh 2dxz -0.068801 0.001114 -0.000008 0.000000 -0.000014 -0.000004 1Rh 2dyz 0.013213 -0.000271 -0.000022 -0.000015 0.000016 -0.000019 1Rh 2dx2y2 -0.160391 0.002944 -0.000001 0.000010 0.000010 -0.000010 1Rh 2dxy -0.059732 0.001080 0.000002 -0.000014 0.000001 -0.000015 1Rh 3dz2 0.042952 -0.000725 0.000022 0.000038 -0.000020 -0.000001 1Rh 3dxz -0.013246 0.000260 0.000025 0.000002 0.000040 0.000009 1Rh 3dyz 0.002653 -0.000051 0.000061 0.000041 -0.000044 0.000051 1Rh 3dx2y2 -0.031513 0.000484 0.000001 -0.000029 -0.000029 0.000030 1Rh 3dxy -0.011682 0.000172 -0.000007 0.000038 -0.000005 0.000041 1Rh 4dz2 -0.004937 -0.000004 -0.000044 -0.000072 0.000015 0.000012 1Rh 4dxz 0.001165 -0.000068 -0.000058 -0.000021 -0.000084 0.000000 1Rh 4dyz -0.000538 0.000016 -0.000093 -0.000065 0.000059 -0.000080 1Rh 4dx2y2 0.003878 0.000114 0.000024 0.000073 0.000074 -0.000073 1Rh 4dxy 0.001358 0.000055 0.000022 -0.000054 0.000011 -0.000073 1Rh 5dz2 0.003317 -0.000023 0.000022 0.000021 0.000190 -0.000118 1Rh 5dxz -0.000057 -0.000416 0.000127 0.000139 0.000118 -0.000122 1Rh 5dyz 0.000837 -0.000149 -0.000179 -0.000117 0.000222 -0.000135 1Rh 5dx2y2 -0.003059 0.000129 -0.000220 -0.000197 -0.000180 0.000156 1Rh 5dxy -0.000918 -0.000001 -0.000112 -0.000117 0.000013 -0.000019 1Rh 1f0 -0.000007 0.000056 0.000018 -0.000009 -0.000013 0.000006 1Rh 1f+1 0.000036 0.000007 -0.000009 -0.000005 0.000005 -0.000018 1Rh 1f-1 -0.000000 -0.000008 0.000016 0.000007 -0.000035 -0.000016 1Rh 1f+2 0.000010 -0.000059 0.000028 -0.000008 0.000011 0.000017 1Rh 1f-2 0.000000 -0.000028 -0.000003 -0.000034 0.000013 -0.000031 1Rh 1f+3 0.000023 -0.000043 -0.000008 0.000020 -0.000002 -0.000006 1Rh 1f-3 0.000018 -0.000018 0.000022 0.000007 -0.000014 0.000005 2C 1s 0.000001 -0.000001 0.000000 0.000001 -0.000335 -0.000002 2C 2s -0.000003 0.000003 0.000006 0.000005 -0.000546 -0.000000 2C 3s -0.000188 0.000284 -0.000204 -0.000155 0.000355 -0.000084 2C 4s 0.001356 -0.001779 0.001149 0.000934 -0.005010 0.000413 2C 5s -0.003253 0.001994 -0.000210 0.000506 0.005664 0.001887 2C 1pz -0.000002 0.000030 -0.000015 -0.000019 -0.000010 -0.000016 2C 1px -0.000007 0.000016 -0.000001 -0.000005 -0.000030 -0.000003 2C 1py -0.000000 0.000017 -0.000014 -0.000006 -0.000006 -0.000010 2C 2pz 0.000651 -0.001105 0.000438 0.000485 -0.002103 0.000229 2C 2px 0.000138 -0.000184 0.000060 0.000108 0.000011 0.000034 2C 2py 0.000413 -0.000646 0.000384 0.000233 -0.001408 0.000155 2C 3pz -0.000598 0.000420 0.000153 -0.000041 0.001797 0.000487 2C 3px -0.000052 -0.000101 0.000060 -0.000116 0.000852 0.000090 2C 3py -0.000529 0.000198 -0.000264 0.000292 0.001167 0.000333 2C 1dz2 0.000014 -0.000027 -0.000001 0.000020 0.000109 0.000003 2C 1dxz 0.000000 0.000002 0.000008 0.000006 0.000072 0.000001 2C 1dyz 0.000025 -0.000022 0.000021 0.000007 0.000128 0.000005 2C 1dx2y2 -0.000011 0.000026 -0.000015 -0.000002 -0.000084 -0.000002 2C 1dxy -0.000000 0.000014 -0.000007 0.000009 0.000007 0.000001 2C 2dz2 0.000181 -0.000252 0.000117 0.000063 -0.000045 0.000046 2C 2dxz 0.000103 -0.000067 0.000044 0.000032 -0.000413 0.000030 2C 2dyz 0.000216 -0.000422 0.000118 0.000132 0.000306 0.000063 2C 2dx2y2 -0.000039 0.000073 -0.000024 -0.000054 0.000409 -0.000029 2C 2dxy 0.000066 -0.000131 0.000031 0.000013 0.000137 0.000010 2C 1f0 0.000012 -0.000017 0.000003 0.000013 0.000092 0.000003 2C 1f+1 0.000018 -0.000018 0.000008 0.000018 0.000186 0.000007 2C 1f-1 0.000039 -0.000058 0.000017 0.000013 0.000471 0.000007 2C 1f+2 -0.000017 0.000041 -0.000024 -0.000009 -0.000246 -0.000008 2C 1f-2 0.000022 -0.000012 0.000011 0.000008 0.000099 0.000007 2C 1f+3 0.000010 0.000003 -0.000000 -0.000003 0.000136 -0.000001 2C 1f-3 0.000001 -0.000015 0.000010 0.000005 0.000115 0.000003 3C 1s 0.000000 -0.000001 -0.000334 0.000007 -0.000002 0.000003 3C 2s -0.000001 0.000004 -0.000546 0.000009 -0.000001 -0.000003 3C 3s 0.000002 0.000307 0.000353 0.000081 -0.000147 0.000205 3C 4s 0.000129 -0.001871 -0.004978 -0.000349 0.000876 -0.001114 3C 5s -0.001399 0.001100 0.005674 -0.001981 0.000658 0.000287 3C 1pz 0.000001 0.000020 0.000009 0.000009 -0.000005 0.000013 3C 1px 0.000005 0.000016 -0.000022 0.000007 -0.000005 0.000005 3C 1py -0.000015 -0.000036 0.000018 -0.000016 0.000020 -0.000014 3C 2pz 0.000050 -0.000646 -0.001442 -0.000121 0.000190 -0.000341 3C 2px -0.000041 -0.000359 -0.000516 -0.000083 0.000143 -0.000166 3C 2py 0.000026 0.001125 0.001968 0.000200 -0.000480 0.000409 3C 3pz -0.000100 0.000024 0.000730 -0.000322 0.000322 0.000263 3C 3px 0.000024 -0.000090 0.000965 -0.000174 0.000070 0.000061 3C 3py 0.000420 -0.000245 -0.001947 0.000520 0.000052 0.000169 3C 1dz2 -0.000008 0.000007 -0.000005 0.000000 -0.000015 -0.000016 3C 1dxz -0.000003 -0.000010 0.000071 -0.000003 0.000006 -0.000011 3C 1dyz 0.000001 0.000022 -0.000101 0.000006 -0.000010 0.000014 3C 1dx2y2 -0.000007 0.000032 -0.000132 0.000005 -0.000015 0.000010 3C 1dxy 0.000002 0.000004 -0.000089 0.000004 -0.000007 0.000014 3C 2dz2 0.000060 0.000062 -0.000169 0.000012 -0.000000 0.000056 3C 2dxz 0.000040 -0.000121 -0.000281 -0.000023 0.000049 -0.000032 3C 2dyz 0.000003 0.000402 -0.000438 0.000062 -0.000120 0.000109 3C 2dx2y2 0.000025 0.000223 0.000310 0.000049 -0.000069 0.000101 3C 2dxy -0.000015 0.000212 0.000107 0.000041 -0.000069 0.000067 3C 1f0 0.000004 0.000028 -0.000287 0.000006 -0.000003 0.000008 3C 1f+1 0.000002 -0.000008 0.000037 -0.000004 0.000004 -0.000009 3C 1f-1 -0.000007 0.000008 -0.000100 0.000000 0.000007 0.000006 3C 1f+2 0.000001 0.000050 -0.000247 0.000011 -0.000012 0.000019 3C 1f-2 -0.000004 0.000037 -0.000262 0.000013 -0.000015 0.000024 3C 1f+3 0.000006 -0.000032 0.000314 -0.000012 0.000021 -0.000015 3C 1f-3 0.000006 0.000028 -0.000213 0.000009 -0.000017 0.000008 4C 1s 0.000001 -0.000003 0.002083 0.002142 -0.467695 -0.001851 4C 2s -0.000009 0.000017 0.002691 0.002769 -0.609117 -0.002418 4C 3s 0.000159 -0.000520 0.000492 0.000442 -0.030914 -0.000009 4C 4s -0.000229 0.002079 -0.001465 -0.001195 0.011596 -0.000384 4C 5s 0.001447 -0.000533 0.002147 0.001816 -0.011623 0.000182 4C 1pz -0.000067 0.000030 -0.000019 0.000021 -0.000573 0.000003 4C 1px 0.000015 0.000024 -0.000017 0.000012 -0.000113 0.000006 4C 1py -0.000031 0.000019 0.000033 -0.000029 -0.000404 0.000006 4C 2pz 0.001094 -0.000935 0.000314 0.000137 -0.004837 0.000102 4C 2px -0.000187 0.000153 0.000205 -0.000016 -0.000730 -0.000121 4C 2py 0.000593 -0.000466 0.000008 0.000306 -0.003172 0.000008 4C 3pz -0.001676 0.001459 0.001038 0.001642 0.001408 0.001810 4C 3px -0.000045 0.000710 0.000199 0.000404 0.000315 0.000285 4C 3py -0.000881 0.001116 0.001228 0.000663 0.000946 0.001194 4C 1dz2 0.000022 -0.000026 0.000025 0.000003 0.000139 0.000009 4C 1dxz -0.000012 -0.000037 0.000032 0.000017 0.000661 0.000013 4C 1dyz 0.000052 -0.000042 -0.000009 0.000007 -0.000667 -0.000008 4C 1dx2y2 -0.000012 0.000033 -0.000028 -0.000043 -0.001128 -0.000025 4C 1dxy 0.000011 -0.000014 -0.000012 -0.000014 -0.000693 -0.000015 4C 2dz2 -0.000144 0.000276 -0.000252 -0.000200 0.001958 -0.000085 4C 2dxz -0.000223 0.000522 -0.000181 -0.000189 0.002318 -0.000136 4C 2dyz -0.000419 0.000711 -0.000211 -0.000221 0.001079 -0.000081 4C 2dx2y2 0.000151 -0.000185 0.000233 0.000283 -0.003260 0.000134 4C 2dxy -0.000276 0.000358 0.000030 0.000039 -0.000943 0.000004 4C 1f0 0.000017 -0.000025 0.000007 0.000001 0.000546 0.000002 4C 1f+1 0.000012 -0.000044 0.000011 0.000003 0.001206 0.000002 4C 1f-1 0.000040 -0.000060 0.000029 0.000026 0.000247 0.000021 4C 1f+2 -0.000030 0.000030 -0.000018 -0.000011 -0.001017 -0.000005 4C 1f-2 -0.000022 0.000000 0.000012 0.000011 0.000076 0.000003 4C 1f+3 -0.000023 -0.000034 0.000005 0.000002 -0.000109 0.000006 4C 1f-3 0.000024 -0.000056 0.000000 0.000002 0.001024 0.000003 5C 1s -0.000001 -0.000003 -0.467611 0.009159 -0.002042 0.001453 5C 2s 0.000004 0.000021 -0.609007 0.011937 -0.002680 0.001913 5C 3s -0.000290 -0.000695 -0.030916 0.000491 0.000169 -0.000263 5C 4s 0.001571 0.002946 0.011583 0.000200 -0.001090 0.001427 5C 5s 0.001399 0.000242 -0.011668 -0.000059 0.001772 -0.001965 5C 1pz -0.000030 0.000023 -0.000367 0.000001 -0.000033 -0.000032 5C 1px 0.000019 0.000004 -0.000229 0.000003 -0.000005 -0.000005 5C 1py 0.000036 -0.000026 0.000584 -0.000004 -0.000017 -0.000028 5C 2pz 0.000408 -0.000563 -0.002873 0.000025 0.000278 0.000056 5C 2px -0.000262 0.000229 -0.001671 -0.000032 0.000064 -0.000019 5C 2py -0.000557 0.000784 0.004732 -0.000014 -0.000095 0.000309 5C 3pz -0.000334 0.000600 0.000806 -0.001093 0.000601 -0.001053 5C 3px -0.000398 0.000873 0.000618 -0.000725 0.000479 -0.000581 5C 3py 0.000279 -0.000876 -0.001325 0.001841 -0.001733 0.000939 5C 1dz2 -0.000014 0.000002 0.000846 -0.000029 0.000038 -0.000013 5C 1dxz -0.000024 -0.000033 0.000644 -0.000026 0.000034 -0.000022 5C 1dyz -0.000013 0.000025 0.000906 -0.000029 0.000010 -0.000025 5C 1dx2y2 -0.000006 0.000043 -0.000856 0.000035 -0.000033 0.000048 5C 1dxy -0.000001 0.000033 -0.000052 0.000007 -0.000011 0.000012 5C 2dz2 -0.000056 -0.000362 0.001321 0.000026 -0.000077 -0.000003 5C 2dxz -0.000072 0.000343 0.002277 0.000067 -0.000203 0.000162 5C 2dyz -0.000162 -0.000545 -0.000231 -0.000044 0.000137 -0.000132 5C 2dx2y2 0.000117 -0.000161 -0.003482 -0.000121 0.000285 -0.000267 5C 2dxy 0.000264 -0.000582 -0.001588 -0.000057 0.000190 -0.000190 5C 1f0 -0.000031 0.000017 0.000411 0.000006 -0.000012 0.000015 5C 1f+1 -0.000008 -0.000055 0.000800 -0.000010 0.000008 -0.000008 5C 1f-1 0.000007 0.000015 -0.000068 0.000002 -0.000004 0.000004 5C 1f+2 0.000011 0.000032 -0.000175 0.000015 -0.000022 0.000020 5C 1f-2 0.000035 0.000035 -0.000892 0.000023 -0.000020 0.000024 5C 1f+3 -0.000047 -0.000110 0.000985 -0.000024 0.000020 -0.000028 5C 1f-3 0.000010 0.000059 -0.001140 0.000020 -0.000014 0.000023 6C 1s -0.000003 -0.000001 -0.009147 -0.467610 -0.002184 0.001570 6C 2s 0.000021 0.000003 -0.011905 -0.609007 -0.002866 0.002066 6C 3s -0.000706 -0.000266 -0.000718 -0.030911 0.000216 -0.000197 6C 4s 0.003004 0.001475 0.000651 0.011566 -0.001414 0.001088 6C 5s 0.000292 0.001398 -0.000517 -0.011648 0.001951 -0.001762 6C 1pz -0.000022 0.000031 0.000014 0.000367 -0.000031 -0.000033 6C 1px -0.000004 -0.000019 0.000005 0.000229 -0.000004 -0.000005 6C 1py 0.000024 -0.000037 -0.000019 -0.000584 -0.000029 -0.000018 6C 2pz 0.000548 -0.000431 0.000087 0.002871 0.000059 0.000282 6C 2px -0.000219 0.000276 0.000100 0.001667 -0.000017 0.000065 6C 2py -0.000762 0.000589 -0.000171 -0.004732 0.000302 -0.000098 6C 3pz -0.000588 0.000351 0.001054 -0.000842 -0.001059 0.000598 6C 3px -0.000854 0.000434 0.000698 -0.000645 -0.000587 0.000476 6C 3py 0.000863 -0.000304 -0.001775 0.001394 0.000957 -0.001734 6C 1dz2 0.000001 -0.000014 0.000005 0.000846 0.000015 -0.000037 6C 1dxz -0.000034 -0.000023 -0.000001 0.000645 0.000024 -0.000033 6C 1dyz 0.000024 -0.000014 0.000007 0.000906 0.000027 -0.000009 6C 1dx2y2 0.000043 -0.000008 0.000001 -0.000857 -0.000050 0.000032 6C 1dxy 0.000033 -0.000002 0.000005 -0.000052 -0.000013 0.000011 6C 2dz2 -0.000364 -0.000044 0.000078 0.001318 0.000004 0.000079 6C 2dxz 0.000340 -0.000086 0.000155 0.002276 -0.000161 0.000205 6C 2dyz -0.000550 -0.000144 -0.000052 -0.000229 0.000132 -0.000137 6C 2dx2y2 -0.000156 0.000124 -0.000257 -0.003475 0.000264 -0.000288 6C 2dxy -0.000572 0.000287 -0.000118 -0.001584 0.000189 -0.000191 6C 1f0 -0.000016 0.000032 -0.000022 -0.000410 0.000015 -0.000012 6C 1f+1 0.000055 0.000006 -0.000021 -0.000800 -0.000009 0.000007 6C 1f-1 -0.000015 -0.000006 0.000000 0.000067 0.000004 -0.000004 6C 1f+2 -0.000033 -0.000009 -0.000008 0.000175 0.000020 -0.000022 6C 1f-2 -0.000036 -0.000034 0.000011 0.000893 0.000026 -0.000019 6C 1f+3 0.000112 0.000043 -0.000014 -0.000984 -0.000029 0.000019 6C 1f-3 -0.000060 -0.000008 0.000025 0.001140 0.000025 -0.000013 7C 1s -0.000003 0.000002 0.001496 0.001554 -0.001839 0.467699 7C 2s 0.000017 -0.000010 0.001927 0.002003 -0.002388 0.609122 7C 3s -0.000517 0.000177 0.000414 0.000444 -0.000234 0.030913 7C 4s 0.002084 -0.000302 -0.001242 -0.001396 0.000471 -0.011590 7C 5s -0.000472 0.001468 0.001896 0.002040 -0.000271 0.011622 7C 1pz -0.000028 0.000068 -0.000019 0.000021 0.000008 -0.000573 7C 1px -0.000025 -0.000014 -0.000011 0.000018 0.000007 -0.000113 7C 1py -0.000018 0.000032 0.000029 -0.000034 0.000009 -0.000404 7C 2pz 0.000892 -0.001129 -0.000139 -0.000303 0.000140 -0.004834 7C 2px -0.000151 0.000196 0.000009 -0.000206 -0.000116 -0.000720 7C 2py 0.000445 -0.000613 -0.000302 0.000004 0.000034 -0.003187 7C 3pz -0.001397 0.001722 -0.001670 -0.000996 0.001790 0.001407 7C 3px -0.000705 0.000071 -0.000409 -0.000189 0.000279 0.000316 7C 3py -0.001085 0.000925 -0.000704 -0.001215 0.001185 0.000957 7C 1dz2 -0.000025 0.000023 0.000004 0.000026 -0.000008 -0.000144 7C 1dxz -0.000037 -0.000011 0.000019 0.000032 -0.000008 -0.000662 7C 1dyz -0.000040 0.000053 0.000005 -0.000010 0.000002 0.000670 7C 1dx2y2 0.000033 -0.000013 -0.000046 -0.000028 0.000016 0.001126 7C 1dxy -0.000013 0.000011 -0.000016 -0.000012 0.000010 0.000692 7C 2dz2 0.000267 -0.000153 -0.000204 -0.000243 0.000099 -0.001955 7C 2dxz 0.000512 -0.000243 -0.000191 -0.000172 0.000153 -0.002317 7C 2dyz 0.000697 -0.000445 -0.000228 -0.000202 0.000090 -0.001081 7C 2dx2y2 -0.000179 0.000159 0.000286 0.000222 -0.000160 0.003266 7C 2dxy 0.000349 -0.000289 0.000038 0.000029 -0.000011 0.000943 7C 1f0 0.000024 -0.000017 -0.000002 -0.000007 -0.000002 0.000546 7C 1f+1 0.000044 -0.000013 -0.000005 -0.000012 -0.000008 0.001204 7C 1f-1 0.000059 -0.000043 -0.000028 -0.000028 0.000019 0.000247 7C 1f+2 -0.000029 0.000031 0.000014 0.000019 0.000003 -0.001017 7C 1f-2 0.000000 0.000022 -0.000011 -0.000012 0.000003 0.000078 7C 1f+3 0.000035 0.000022 -0.000002 -0.000005 0.000007 -0.000111 7C 1f-3 0.000055 -0.000026 -0.000004 -0.000001 -0.000005 0.001027 8C 1s -0.000001 0.000000 -0.000006 -0.000334 -0.000003 0.000002 8C 2s 0.000004 -0.000001 -0.000013 -0.000545 0.000002 0.000000 8C 3s 0.000307 -0.000009 0.000095 0.000350 -0.000204 0.000147 8C 4s -0.001866 0.000197 -0.000542 -0.004962 0.001109 -0.000877 8C 5s 0.001048 -0.001437 -0.001743 0.005737 -0.000261 -0.000664 8C 1pz -0.000020 -0.000000 -0.000009 -0.000008 0.000013 -0.000005 8C 1px -0.000016 -0.000004 -0.000006 0.000022 0.000005 -0.000005 8C 1py 0.000037 0.000014 0.000015 -0.000018 -0.000014 0.000020 8C 2pz 0.000644 -0.000073 0.000177 0.001436 -0.000340 0.000190 8C 2px 0.000361 0.000029 0.000102 0.000505 -0.000166 0.000143 8C 2py -0.001124 0.000015 -0.000276 -0.001963 0.000409 -0.000480 8C 3pz -0.000021 0.000099 0.000290 -0.000744 0.000258 0.000324 8C 3px 0.000088 -0.000027 0.000133 -0.000980 0.000059 0.000071 8C 3py 0.000228 -0.000429 -0.000441 0.001958 0.000173 0.000052 8C 1dz2 0.000007 -0.000008 0.000000 -0.000005 0.000016 0.000015 8C 1dxz -0.000010 -0.000003 -0.000000 0.000072 0.000011 -0.000006 8C 1dyz 0.000022 -0.000000 0.000002 -0.000101 -0.000014 0.000009 8C 1dx2y2 0.000031 -0.000009 0.000000 -0.000132 -0.000011 0.000015 8C 1dxy 0.000004 0.000002 0.000001 -0.000089 -0.000014 0.000007 8C 2dz2 0.000064 0.000058 0.000005 -0.000171 -0.000056 -0.000000 8C 2dxz -0.000118 0.000044 -0.000034 -0.000283 0.000032 -0.000049 8C 2dyz 0.000402 -0.000012 0.000044 -0.000441 -0.000110 0.000119 8C 2dx2y2 0.000224 0.000017 0.000061 0.000306 -0.000101 0.000069 8C 2dxy 0.000212 -0.000023 0.000045 0.000108 -0.000067 0.000069 8C 1f0 -0.000028 -0.000003 0.000005 0.000288 0.000008 -0.000003 8C 1f+1 0.000008 -0.000002 0.000002 -0.000039 -0.000009 0.000003 8C 1f-1 -0.000008 0.000007 0.000004 0.000099 0.000006 0.000007 8C 1f+2 -0.000050 0.000001 -0.000001 0.000247 0.000019 -0.000011 8C 1f-2 -0.000037 0.000005 -0.000003 0.000261 0.000024 -0.000014 8C 1f+3 0.000031 -0.000007 0.000000 -0.000315 -0.000016 0.000021 8C 1f-3 -0.000028 -0.000005 -0.000001 0.000213 0.000009 -0.000017 9C 1s -0.000001 0.000001 0.000000 -0.000000 -0.000000 0.000335 9C 2s 0.000003 -0.000003 0.000004 0.000006 -0.000004 0.000546 9C 3s 0.000278 -0.000199 -0.000164 -0.000196 0.000087 -0.000355 9C 4s -0.001731 0.001423 0.000973 0.001101 -0.000451 0.005011 9C 5s 0.001872 -0.003329 0.000473 -0.000171 -0.001837 -0.005665 9C 1pz -0.000029 0.000003 0.000019 0.000014 -0.000016 -0.000010 9C 1px -0.000016 0.000008 0.000005 0.000001 -0.000003 -0.000030 9C 1py -0.000018 0.000001 0.000007 0.000014 -0.000010 -0.000007 9C 2pz 0.001077 -0.000691 -0.000497 -0.000418 0.000245 -0.002107 9C 2px 0.000177 -0.000142 -0.000109 -0.000056 0.000033 0.000020 9C 2py 0.000639 -0.000441 -0.000246 -0.000375 0.000165 -0.001404 9C 3pz -0.000393 0.000612 0.000039 -0.000165 0.000471 0.001788 9C 3px 0.000103 0.000043 0.000114 -0.000065 0.000081 0.000856 9C 3py -0.000183 0.000536 -0.000280 0.000265 0.000324 0.001184 9C 1dz2 -0.000026 0.000014 0.000020 -0.000002 -0.000002 -0.000108 9C 1dxz 0.000002 0.000000 0.000007 0.000008 -0.000001 -0.000071 9C 1dyz -0.000022 0.000026 0.000008 0.000021 -0.000004 -0.000128 9C 1dx2y2 0.000026 -0.000012 -0.000003 -0.000015 0.000002 0.000085 9C 1dxy 0.000014 -0.000001 0.000009 -0.000007 -0.000001 -0.000007 9C 2dz2 -0.000245 0.000189 0.000066 0.000114 -0.000046 0.000040 9C 2dxz -0.000063 0.000104 0.000032 0.000042 -0.000033 0.000417 9C 2dyz -0.000415 0.000233 0.000138 0.000114 -0.000061 -0.000305 9C 2dx2y2 0.000073 -0.000044 -0.000054 -0.000023 0.000032 -0.000413 9C 2dxy -0.000127 0.000071 0.000015 0.000030 -0.000009 -0.000137 9C 1f0 0.000016 -0.000012 -0.000013 -0.000002 0.000002 0.000089 9C 1f+1 0.000017 -0.000018 -0.000019 -0.000008 0.000006 0.000184 9C 1f-1 0.000056 -0.000042 -0.000015 -0.000016 0.000004 0.000472 9C 1f+2 -0.000041 0.000019 0.000011 0.000024 -0.000006 -0.000246 9C 1f-2 0.000011 -0.000022 -0.000009 -0.000011 0.000006 0.000099 9C 1f+3 -0.000004 -0.000010 0.000002 0.000000 -0.000002 0.000134 9C 1f-3 0.000014 -0.000002 -0.000006 -0.000010 0.000002 0.000120 10H 1s -0.000008 0.000016 -0.000017 -0.000012 -0.000068 0.000003 10H 2s 0.000055 0.000000 0.000042 0.000032 -0.000409 -0.000007 10H 3s 0.000190 -0.000084 0.000070 0.000039 -0.000216 -0.000031 10H 1pz -0.000018 0.000005 -0.000003 -0.000003 0.000083 0.000003 10H 1px -0.000002 -0.000006 0.000005 0.000006 0.000180 0.000003 10H 1py -0.000011 0.000009 -0.000003 -0.000000 0.000050 0.000003 11H 1s -0.000012 -0.000014 -0.000006 -0.000001 0.000111 0.000002 11H 2s 0.000062 -0.000069 -0.000026 0.000027 0.000535 -0.000038 11H 3s 0.000376 -0.000090 0.000220 -0.000174 0.000291 -0.000069 11H 1pz -0.000004 0.000018 -0.000024 -0.000006 0.000111 -0.000004 11H 1px -0.000005 -0.000013 -0.000013 0.000005 0.000086 -0.000004 11H 1py 0.000002 0.000016 0.000004 -0.000009 0.000093 0.000002 12H 1s -0.000009 -0.000002 -0.000008 -0.000007 0.000049 0.000002 12H 2s 0.000073 0.000045 0.000041 -0.000008 0.000360 -0.000027 12H 3s 0.000234 -0.000191 -0.000048 0.000070 0.000144 -0.000057 12H 1pz -0.000013 0.000018 -0.000008 -0.000005 0.000158 0.000001 12H 1px -0.000001 -0.000005 0.000003 -0.000005 0.000106 -0.000002 12H 1py -0.000008 0.000031 -0.000004 -0.000018 0.000050 -0.000003 13H 1s -0.000002 0.000007 -0.000057 -0.000000 -0.000012 0.000016 13H 2s 0.000072 0.000007 -0.000322 0.000017 0.000027 -0.000047 13H 3s 0.000037 -0.000066 -0.000197 0.000023 0.000026 -0.000051 13H 1pz 0.000005 0.000010 -0.000043 0.000000 -0.000005 0.000004 13H 1px -0.000003 -0.000004 0.000145 -0.000006 0.000006 -0.000002 13H 1py -0.000002 -0.000005 -0.000132 0.000005 0.000001 0.000000 14H 1s -0.000011 -0.000003 0.000026 -0.000003 -0.000007 0.000010 14H 2s 0.000012 0.000037 0.000247 0.000013 -0.000004 -0.000039 14H 3s 0.000223 -0.000142 0.000064 0.000058 0.000055 0.000009 14H 1pz 0.000003 0.000024 -0.000003 -0.000000 -0.000013 0.000006 14H 1px -0.000008 0.000011 0.000073 0.000001 -0.000012 0.000000 14H 1py -0.000006 -0.000014 -0.000184 0.000005 0.000003 -0.000004 15H 1s -0.000005 -0.000015 0.000125 -0.000005 0.000002 0.000005 15H 2s -0.000011 0.000005 0.000542 0.000028 0.000034 0.000024 15H 3s 0.000056 -0.000023 0.000327 0.000068 -0.000201 -0.000257 15H 1pz -0.000005 0.000020 0.000041 -0.000003 -0.000013 -0.000008 15H 1px -0.000008 0.000001 0.000086 0.000000 0.000000 0.000005 15H 1py 0.000014 -0.000027 -0.000121 -0.000003 0.000004 -0.000025 16H 1s -0.000003 0.000070 0.000005 -0.000001 -0.000008 -0.000006 16H 2s 0.000033 -0.000267 0.000003 0.000024 0.000165 0.000067 16H 3s 0.000106 0.000433 -0.000141 -0.000137 -0.000216 0.000064 16H 1pz 0.000014 -0.000029 -0.000001 0.000008 0.000021 0.000010 16H 1px -0.000024 -0.000023 -0.000000 0.000007 -0.000001 0.000004 16H 1py -0.000003 0.000016 0.000014 -0.000006 0.000011 0.000001 17H 1s -0.000010 0.000032 0.000006 -0.000009 -0.000001 -0.000005 17H 2s 0.000061 -0.000495 -0.000075 0.000197 0.000018 -0.000014 17H 3s -0.000057 -0.000173 -0.000072 -0.000209 -0.000134 0.000144 17H 1pz -0.000008 -0.000003 0.000010 -0.000021 -0.000009 -0.000001 17H 1px 0.000004 0.000136 0.000005 -0.000022 -0.000000 0.000001 17H 1py 0.000002 -0.000007 -0.000003 0.000019 -0.000005 -0.000015 18H 1s 0.000032 -0.000011 -0.000009 0.000007 0.000004 0.000000 18H 2s -0.000496 0.000076 0.000194 -0.000084 0.000020 -0.000012 18H 3s -0.000180 -0.000053 -0.000211 -0.000065 -0.000147 0.000131 18H 1pz 0.000003 0.000008 0.000021 -0.000012 -0.000000 -0.000008 18H 1px -0.000137 0.000000 0.000022 -0.000006 0.000002 0.000001 18H 1py 0.000005 -0.000001 -0.000018 0.000004 -0.000016 -0.000006 19H 1s 0.000070 -0.000006 -0.000001 0.000006 0.000005 0.000008 19H 2s -0.000269 0.000040 0.000029 -0.000003 -0.000065 -0.000164 19H 3s 0.000432 0.000089 -0.000143 -0.000135 -0.000066 0.000215 19H 1pz 0.000030 -0.000015 -0.000009 0.000002 0.000009 0.000020 19H 1px 0.000024 0.000022 -0.000007 0.000000 0.000004 -0.000001 19H 1py -0.000016 0.000004 0.000005 -0.000014 0.000001 0.000011 20H 1s -0.000015 -0.000004 0.000000 0.000124 -0.000005 -0.000002 20H 2s 0.000006 -0.000011 0.000049 0.000540 -0.000023 -0.000033 20H 3s -0.000023 0.000056 0.000079 0.000323 0.000253 0.000203 20H 1pz -0.000019 0.000006 0.000001 -0.000042 -0.000008 -0.000013 20H 1px -0.000001 0.000008 -0.000004 -0.000087 0.000005 0.000000 20H 1py 0.000027 -0.000015 0.000008 0.000120 -0.000025 0.000004 21H 1s -0.000003 -0.000011 -0.000001 0.000028 -0.000010 0.000007 21H 2s 0.000036 0.000010 0.000023 0.000255 0.000039 0.000005 21H 3s -0.000133 0.000229 0.000060 0.000068 -0.000011 -0.000056 21H 1pz -0.000024 -0.000002 0.000000 0.000002 0.000006 -0.000013 21H 1px -0.000010 0.000008 -0.000004 -0.000075 0.000000 -0.000012 21H 1py 0.000014 0.000006 0.000003 0.000183 -0.000003 0.000003 22H 1s 0.000007 -0.000003 -0.000003 -0.000058 -0.000016 0.000012 22H 2s 0.000010 0.000072 0.000004 -0.000329 0.000047 -0.000028 22H 3s -0.000065 0.000040 0.000015 -0.000200 0.000051 -0.000025 22H 1pz -0.000010 -0.000005 0.000001 0.000042 0.000004 -0.000005 22H 1px 0.000004 0.000003 0.000001 -0.000147 -0.000003 0.000006 22H 1py 0.000005 0.000002 0.000000 0.000130 0.000000 0.000001 23H 1s -0.000003 -0.000009 -0.000007 -0.000008 -0.000001 -0.000052 23H 2s 0.000045 0.000072 -0.000007 0.000041 0.000030 -0.000373 23H 3s -0.000177 0.000244 0.000074 -0.000057 0.000058 -0.000152 23H 1pz -0.000018 0.000014 0.000005 0.000007 0.000000 0.000155 23H 1px 0.000006 0.000001 0.000004 -0.000003 -0.000003 0.000107 23H 1py -0.000030 0.000009 0.000019 0.000003 -0.000004 0.000053 24H 1s -0.000014 -0.000012 -0.000001 -0.000006 -0.000002 -0.000109 24H 2s -0.000063 0.000065 0.000028 -0.000026 0.000041 -0.000532 24H 3s -0.000081 0.000382 -0.000160 0.000217 0.000072 -0.000288 24H 1pz -0.000018 0.000005 0.000007 0.000023 -0.000005 0.000111 24H 1px 0.000013 0.000005 -0.000005 0.000013 -0.000005 0.000087 24H 1py -0.000015 -0.000001 0.000009 -0.000004 0.000001 0.000096 25H 1s 0.000016 -0.000009 -0.000013 -0.000016 -0.000003 0.000069 25H 2s 0.000003 0.000056 0.000034 0.000040 0.000004 0.000417 25H 3s -0.000079 0.000192 0.000043 0.000067 0.000029 0.000218 25H 1pz -0.000005 0.000018 0.000003 0.000002 0.000003 0.000080 25H 1px 0.000006 0.000002 -0.000006 -0.000005 0.000002 0.000181 25H 1py -0.000008 0.000011 0.000000 0.000002 0.000003 0.000054 26O 1s -0.000000 0.000001 -0.000000 -0.000000 0.000036 -0.000000 26O 2s 0.000005 -0.000005 0.000001 0.000001 0.000166 0.000003 26O 3s -0.000054 0.000139 -0.000025 -0.000022 -0.001948 -0.000040 26O 4s 0.000157 -0.000284 0.000135 0.000114 0.006319 0.000097 26O 5s 0.000274 -0.001493 -0.001324 -0.001243 0.000746 -0.000467 26O 1pz -0.000013 0.000011 0.000003 0.000016 0.000048 -0.000006 26O 1px 0.000025 -0.000010 -0.000006 0.000002 0.000378 0.000003 26O 1py -0.000003 0.000005 0.000018 -0.000006 0.000173 -0.000003 26O 2pz 0.000058 -0.000171 0.000006 -0.000045 -0.000576 0.000041 26O 2px -0.000175 0.000207 0.000036 0.000006 -0.003997 -0.000028 26O 2py -0.000014 -0.000033 -0.000058 0.000046 -0.001858 0.000015 26O 3pz 0.000162 -0.000918 -0.000059 0.000026 -0.000909 -0.000021 26O 3px 0.000187 -0.000104 0.000179 0.000184 0.000423 0.000152 26O 3py 0.000334 -0.000589 0.000152 -0.000002 -0.000368 0.000049 26O 1dz2 -0.000000 -0.000009 0.000005 -0.000004 0.000033 -0.000000 26O 1dxz 0.000009 -0.000000 0.000003 0.000005 -0.000043 -0.000002 26O 1dyz -0.000005 -0.000004 -0.000004 0.000003 0.000034 -0.000003 26O 1dx2y2 0.000003 -0.000003 -0.000004 -0.000003 0.000011 -0.000000 26O 1dxy 0.000014 0.000013 0.000003 -0.000004 -0.000011 -0.000003 26O 2dz2 -0.000008 0.000034 -0.000022 0.000004 -0.001062 -0.000005 26O 2dxz -0.000052 -0.000026 -0.000023 -0.000034 0.000527 0.000007 26O 2dyz 0.000014 -0.000082 0.000002 -0.000018 0.000023 0.000018 26O 2dx2y2 0.000026 -0.000021 0.000029 0.000022 0.001044 0.000012 26O 2dxy -0.000053 -0.000128 -0.000013 0.000012 0.001289 0.000023 26O 1f0 -0.000003 0.000020 -0.000003 -0.000004 0.000070 -0.000001 26O 1f+1 -0.000000 -0.000020 0.000004 0.000006 0.000276 0.000006 26O 1f-1 -0.000002 0.000023 -0.000002 -0.000000 0.000138 -0.000000 26O 1f+2 0.000003 -0.000011 0.000000 0.000003 -0.000105 -0.000000 26O 1f-2 -0.000002 -0.000027 0.000005 0.000005 -0.000016 0.000002 26O 1f+3 0.000009 -0.000020 0.000007 0.000002 0.000108 0.000003 26O 1f-3 -0.000000 -0.000008 0.000001 0.000002 0.000325 0.000005 27O 1s 0.000000 0.000000 0.000037 -0.000001 0.000000 0.000000 27O 2s -0.000002 -0.000001 0.000166 -0.000006 0.000002 -0.000003 27O 3s 0.000024 0.000070 -0.001944 0.000065 -0.000036 0.000045 27O 4s -0.000033 -0.000163 0.006329 -0.000184 0.000162 -0.000203 27O 5s -0.000345 -0.001911 0.000873 0.000734 -0.001209 0.001109 27O 1pz 0.000003 0.000005 -0.000014 0.000003 -0.000005 -0.000018 27O 1px 0.000006 -0.000019 0.000410 -0.000006 0.000002 -0.000008 27O 1py 0.000003 0.000002 -0.000094 -0.000004 -0.000019 0.000004 27O 2pz -0.000005 -0.000062 0.000119 -0.000025 0.000034 0.000064 27O 2px 0.000018 0.000349 -0.004356 0.000055 -0.000014 0.000064 27O 2py -0.000034 -0.000016 0.001072 0.000024 0.000062 -0.000006 27O 3pz -0.000221 -0.000518 -0.000582 0.000059 -0.000095 -0.000053 27O 3px 0.000315 0.000221 0.000318 -0.000303 0.000146 -0.000130 27O 3py -0.000128 0.000333 0.000797 -0.000009 -0.000065 -0.000029 27O 1dz2 0.000008 0.000007 -0.000007 -0.000001 0.000007 0.000003 27O 1dxz -0.000003 -0.000008 -0.000022 0.000003 0.000001 -0.000006 27O 1dyz -0.000009 0.000005 -0.000051 -0.000000 -0.000000 -0.000003 27O 1dx2y2 0.000005 0.000003 -0.000019 -0.000000 -0.000001 0.000006 27O 1dxy -0.000008 -0.000013 0.000025 -0.000004 -0.000007 -0.000001 27O 2dz2 -0.000013 0.000050 -0.000941 0.000024 -0.000030 0.000009 27O 2dxz 0.000024 0.000053 -0.000032 -0.000006 -0.000019 0.000037 27O 2dyz 0.000031 -0.000000 0.000238 0.000007 0.000004 0.000008 27O 2dx2y2 -0.000031 -0.000098 0.001589 -0.000026 0.000033 -0.000050 27O 2dxy 0.000058 0.000100 -0.000849 0.000027 0.000034 -0.000001 27O 1f0 0.000004 -0.000010 -0.000040 0.000001 -0.000000 0.000004 27O 1f+1 -0.000001 -0.000007 0.000256 -0.000007 0.000004 -0.000005 27O 1f-1 0.000004 -0.000004 -0.000049 -0.000001 0.000002 -0.000001 27O 1f+2 -0.000004 -0.000025 0.000011 -0.000004 0.000004 -0.000006 27O 1f-2 0.000005 0.000006 -0.000085 0.000004 -0.000002 0.000004 27O 1f+3 -0.000000 -0.000025 0.000320 -0.000010 0.000011 -0.000007 27O 1f-3 0.000005 -0.000004 -0.000219 0.000003 0.000002 -0.000000 28O 1s 0.000000 -0.000000 -0.000000 -0.000000 0.000037 0.000000 28O 2s 0.000003 0.000005 0.000001 0.000001 0.000166 0.000002 28O 3s 0.000042 -0.000074 -0.000029 -0.000017 -0.001956 -0.000023 28O 4s 0.000109 0.000566 0.000139 0.000095 0.006428 0.000051 28O 5s -0.002212 -0.001171 -0.001096 -0.001226 0.001116 -0.000795 28O 1pz -0.000002 0.000015 0.000004 0.000015 0.000265 -0.000003 28O 1px 0.000039 0.000027 -0.000001 0.000009 -0.000330 0.000000 28O 1py 0.000022 0.000013 0.000018 -0.000002 0.000038 -0.000002 28O 2pz -0.000082 -0.000098 -0.000003 -0.000036 -0.002940 0.000043 28O 2px -0.000225 -0.000045 0.000014 -0.000047 0.003455 -0.000013 28O 2py -0.000160 -0.000041 -0.000063 0.000025 -0.000481 0.000022 28O 3pz -0.000636 -0.000387 -0.000009 0.000173 -0.000817 0.000174 28O 3px -0.000424 -0.000149 -0.000081 -0.000148 -0.000666 -0.000301 28O 3py -0.000778 -0.000479 0.000030 -0.000051 -0.000713 0.000002 28O 1dz2 -0.000016 -0.000008 0.000004 0.000001 -0.000011 -0.000002 28O 1dxz -0.000002 0.000018 0.000005 -0.000003 0.000034 0.000001 28O 1dyz -0.000009 0.000009 -0.000001 0.000000 0.000034 -0.000001 28O 1dx2y2 -0.000008 -0.000006 -0.000000 -0.000009 0.000015 0.000002 28O 1dxy 0.000012 0.000018 -0.000006 0.000001 0.000044 0.000002 28O 2dz2 -0.000007 0.000044 -0.000022 -0.000019 0.000284 0.000007 28O 2dxz -0.000016 -0.000072 -0.000030 0.000006 -0.001796 -0.000001 28O 2dyz -0.000091 -0.000034 -0.000007 -0.000010 0.000086 0.000008 28O 2dx2y2 0.000053 0.000003 0.000023 0.000042 0.000897 -0.000005 28O 2dxy -0.000078 -0.000090 0.000028 0.000005 -0.000448 -0.000003 28O 1f0 0.000000 0.000000 0.000004 0.000006 0.000163 0.000004 28O 1f+1 -0.000009 -0.000005 0.000000 -0.000004 0.000222 -0.000001 28O 1f-1 0.000012 0.000006 0.000001 0.000000 0.000038 0.000000 28O 1f+2 0.000013 0.000005 -0.000005 -0.000004 -0.000339 -0.000003 28O 1f-2 0.000002 -0.000004 -0.000006 -0.000002 0.000064 -0.000003 28O 1f+3 -0.000001 0.000002 -0.000006 -0.000004 -0.000139 -0.000003 28O 1f-3 -0.000012 0.000003 -0.000001 0.000001 0.000094 0.000001 29O 1s 0.000000 -0.000001 -0.000000 -0.000000 -0.000000 0.000000 29O 2s -0.000004 0.000017 0.000003 0.000005 0.000006 -0.000003 29O 3s 0.000034 -0.000137 -0.000021 -0.000031 -0.000043 0.000016 29O 4s -0.000081 -0.000035 0.000005 0.000064 0.000095 0.000009 29O 5s 0.000101 0.001097 0.000166 -0.000151 -0.000147 -0.000163 29O 1pz 0.000001 -0.000048 -0.000006 -0.000011 -0.000006 0.000010 29O 1px -0.000011 0.000083 0.000021 0.000025 0.000028 -0.000019 29O 1py -0.000002 0.000018 -0.000009 0.000001 0.000001 0.000007 29O 2pz 0.000003 0.000131 0.000030 0.000027 0.000044 -0.000022 29O 2px 0.000034 -0.000217 -0.000067 -0.000114 -0.000109 0.000067 29O 2py 0.000012 -0.000109 0.000030 0.000017 0.000011 -0.000030 29O 3pz -0.000033 0.000425 -0.000008 -0.000134 0.000001 0.000063 29O 3px -0.000075 -0.000326 0.000094 0.000135 0.000203 -0.000062 29O 3py 0.000026 -0.000300 -0.000100 0.000043 0.000020 0.000101 29O 1dz2 -0.000003 0.000004 0.000003 0.000002 0.000004 -0.000001 29O 1dxz -0.000002 0.000072 0.000003 0.000004 0.000002 -0.000005 29O 1dyz 0.000000 0.000030 0.000002 -0.000003 0.000003 0.000002 29O 1dx2y2 0.000006 -0.000043 -0.000005 -0.000004 -0.000004 0.000005 29O 1dxy 0.000002 -0.000005 0.000001 -0.000003 0.000000 0.000002 29O 2dz2 0.000006 -0.000029 -0.000016 -0.000006 -0.000023 0.000001 29O 2dxz 0.000006 -0.000253 -0.000006 -0.000026 -0.000006 0.000022 29O 2dyz -0.000004 -0.000131 -0.000012 0.000018 -0.000021 -0.000014 29O 2dx2y2 -0.000020 0.000187 0.000019 0.000015 0.000018 -0.000016 29O 2dxy -0.000007 0.000008 -0.000008 0.000024 0.000003 -0.000009 29O 1f0 0.000000 -0.000028 -0.000000 -0.000000 0.000002 0.000002 29O 1f+1 0.000000 0.000001 0.000001 -0.000001 0.000001 -0.000000 29O 1f-1 0.000001 -0.000013 0.000000 0.000002 0.000003 0.000000 29O 1f+2 -0.000002 0.000036 0.000003 0.000001 0.000001 -0.000002 29O 1f-2 0.000002 0.000007 -0.000000 0.000005 0.000000 -0.000002 29O 1f+3 -0.000002 0.000033 0.000004 0.000000 0.000001 -0.000004 29O 1f-3 -0.000002 0.000003 0.000002 -0.000001 0.000001 -0.000001 30O 1s 0.000000 -0.000000 0.000036 -0.000001 0.000000 0.000000 30O 2s 0.000002 -0.000000 0.000166 -0.000005 0.000002 -0.000002 30O 3s 0.000041 -0.000012 -0.001956 0.000059 -0.000036 0.000041 30O 4s -0.000053 0.000324 0.006379 -0.000166 0.000155 -0.000176 30O 5s -0.002080 -0.001143 0.001061 0.000582 -0.001320 0.001129 30O 1pz -0.000015 0.000007 0.000207 -0.000002 -0.000004 -0.000017 30O 1px 0.000034 0.000028 -0.000301 0.000008 0.000003 -0.000006 30O 1py 0.000001 -0.000013 -0.000216 0.000001 -0.000018 0.000003 30O 2pz 0.000115 -0.000024 -0.002242 0.000021 0.000026 0.000070 30O 2px -0.000290 -0.000106 0.003106 -0.000068 -0.000005 0.000006 30O 2py -0.000072 0.000039 0.002390 -0.000010 0.000058 -0.000004 30O 3pz 0.000419 -0.000026 -0.000436 -0.000101 0.000072 -0.000061 30O 3px -0.000612 -0.000321 -0.000814 0.000199 -0.000214 0.000102 30O 3py 0.000222 0.000479 0.000896 0.000076 -0.000169 -0.000062 30O 1dz2 -0.000005 -0.000012 -0.000030 0.000001 0.000003 -0.000001 30O 1dxz -0.000016 0.000003 0.000017 -0.000001 0.000007 0.000003 30O 1dyz 0.000018 0.000000 -0.000018 -0.000002 -0.000002 -0.000003 30O 1dx2y2 -0.000003 0.000000 0.000022 -0.000002 -0.000001 0.000006 30O 1dxy -0.000015 -0.000026 -0.000051 0.000002 0.000003 0.000004 30O 2dz2 0.000041 0.000057 -0.000131 0.000005 -0.000016 0.000016 30O 2dxz 0.000097 0.000011 -0.001224 0.000026 -0.000037 0.000011 30O 2dyz 0.000005 0.000014 -0.000814 0.000028 0.000006 0.000010 30O 2dx2y2 0.000008 -0.000035 0.000238 -0.000002 0.000027 -0.000040 30O 2dxy 0.000037 0.000097 0.001442 -0.000027 0.000001 -0.000030 30O 1f0 -0.000020 -0.000006 0.000163 -0.000006 0.000003 -0.000006 30O 1f+1 -0.000005 0.000001 0.000066 -0.000002 0.000002 0.000002 30O 1f-1 -0.000014 -0.000004 0.000007 0.000001 -0.000000 0.000003 30O 1f+2 -0.000002 0.000005 -0.000134 0.000005 -0.000007 0.000005 30O 1f-2 0.000005 0.000006 -0.000313 0.000006 -0.000002 0.000002 30O 1f+3 -0.000013 0.000005 0.000111 -0.000000 -0.000005 0.000001 30O 1f-3 0.000014 0.000002 -0.000265 0.000010 -0.000008 0.000008 31O 1s -0.000000 0.000000 0.000001 0.000036 -0.000000 0.000000 31O 2s -0.000000 0.000002 0.000001 0.000166 0.000003 -0.000002 31O 3s -0.000010 0.000042 -0.000017 -0.001957 -0.000044 0.000034 31O 4s 0.000322 -0.000067 0.000083 0.006382 0.000187 -0.000148 31O 5s -0.001219 -0.002051 0.000617 0.001038 -0.001139 0.001318 31O 1pz -0.000006 0.000015 -0.000006 -0.000207 -0.000017 -0.000004 31O 1px -0.000029 -0.000033 0.000004 0.000301 -0.000005 0.000004 31O 1py 0.000013 -0.000002 0.000007 0.000215 0.000003 -0.000017 31O 2pz 0.000020 -0.000117 0.000067 0.002242 0.000072 0.000028 31O 2px 0.000117 0.000287 -0.000053 -0.003107 0.000001 -0.000008 31O 2py -0.000037 0.000075 -0.000083 -0.002388 -0.000008 0.000056 31O 3pz 0.000009 -0.000427 0.000117 0.000434 -0.000060 0.000074 31O 3px 0.000344 0.000607 -0.000165 0.000821 0.000105 -0.000214 31O 3py -0.000485 -0.000199 -0.000110 -0.000896 -0.000062 -0.000170 31O 1dz2 -0.000012 -0.000004 -0.000000 -0.000030 0.000001 -0.000003 31O 1dxz 0.000002 -0.000017 -0.000000 0.000017 -0.000003 -0.000007 31O 1dyz 0.000001 0.000018 -0.000003 -0.000018 0.000003 0.000002 31O 1dx2y2 0.000000 -0.000003 -0.000001 0.000022 -0.000006 0.000001 31O 1dxy -0.000027 -0.000014 -0.000000 -0.000051 -0.000004 -0.000003 31O 2dz2 0.000059 0.000039 -0.000000 -0.000130 -0.000016 0.000016 31O 2dxz 0.000015 0.000098 -0.000022 -0.001224 -0.000013 0.000035 31O 2dyz 0.000014 0.000005 -0.000004 -0.000815 -0.000011 -0.000007 31O 2dx2y2 -0.000035 0.000009 0.000007 0.000238 0.000040 -0.000026 31O 2dxy 0.000098 0.000033 0.000029 0.001442 0.000032 0.000001 31O 1f0 0.000007 0.000020 -0.000000 -0.000163 -0.000006 0.000003 31O 1f+1 -0.000001 0.000005 -0.000001 -0.000066 0.000002 0.000002 31O 1f-1 0.000005 0.000014 -0.000001 -0.000007 0.000003 -0.000000 31O 1f+2 -0.000005 0.000002 -0.000000 0.000134 0.000005 -0.000007 31O 1f-2 -0.000006 -0.000005 0.000006 0.000313 0.000002 -0.000002 31O 1f+3 -0.000004 0.000013 -0.000004 -0.000111 0.000001 -0.000005 31O 1f-3 -0.000002 -0.000014 0.000000 0.000265 0.000009 -0.000007 32O 1s -0.000001 0.000000 -0.000000 -0.000000 -0.000000 0.000000 32O 2s 0.000017 -0.000004 0.000005 0.000003 0.000003 -0.000006 32O 3s -0.000135 0.000039 -0.000032 -0.000020 -0.000016 0.000043 32O 4s -0.000041 -0.000079 0.000063 0.000003 -0.000008 -0.000095 32O 5s 0.001111 0.000065 -0.000147 0.000178 0.000156 0.000141 32O 1pz 0.000048 -0.000003 0.000011 0.000005 0.000010 -0.000006 32O 1px -0.000083 0.000014 -0.000026 -0.000020 -0.000019 0.000028 32O 1py -0.000019 0.000002 -0.000001 0.000009 0.000007 0.000001 32O 2pz -0.000133 0.000002 -0.000028 -0.000028 -0.000021 0.000043 32O 2px 0.000216 -0.000042 0.000117 0.000062 0.000069 -0.000108 32O 2py 0.000110 -0.000015 -0.000018 -0.000029 -0.000031 0.000010 32O 3pz -0.000427 0.000049 0.000132 0.000003 0.000063 0.000003 32O 3px 0.000326 0.000063 -0.000139 -0.000089 -0.000065 0.000202 32O 3py 0.000295 -0.000036 -0.000038 0.000103 0.000099 0.000019 32O 1dz2 0.000003 -0.000003 0.000002 0.000003 0.000001 -0.000003 32O 1dxz 0.000072 -0.000005 0.000004 0.000002 0.000005 -0.000002 32O 1dyz 0.000030 -0.000001 -0.000003 0.000003 -0.000002 -0.000004 32O 1dx2y2 -0.000043 0.000007 -0.000004 -0.000005 -0.000005 0.000004 32O 1dxy -0.000005 0.000003 -0.000003 0.000001 -0.000002 -0.000000 32O 2dz2 -0.000025 0.000008 -0.000009 -0.000015 -0.000002 0.000022 32O 2dxz -0.000250 0.000016 -0.000027 -0.000004 -0.000023 0.000005 32O 2dyz -0.000130 0.000000 0.000017 -0.000012 0.000014 0.000022 32O 2dx2y2 0.000188 -0.000027 0.000015 0.000018 0.000016 -0.000018 32O 2dxy 0.000009 -0.000008 0.000024 -0.000009 0.000009 -0.000003 32O 1f0 0.000028 -0.000001 0.000000 0.000001 0.000002 0.000001 32O 1f+1 -0.000002 0.000000 0.000001 -0.000001 -0.000000 0.000001 32O 1f-1 0.000014 -0.000001 -0.000003 -0.000000 0.000000 0.000003 32O 1f+2 -0.000036 0.000004 -0.000001 -0.000003 -0.000002 0.000001 32O 1f-2 -0.000007 -0.000002 -0.000004 0.000001 -0.000003 0.000000 32O 1f+3 -0.000033 0.000003 -0.000000 -0.000004 -0.000004 0.000001 32O 1f-3 -0.000004 0.000002 0.000001 -0.000002 -0.000001 0.000001 33O 1s -0.000000 0.000000 -0.000000 -0.000000 0.000000 -0.000037 33O 2s 0.000005 0.000003 0.000001 0.000001 -0.000001 -0.000166 33O 3s -0.000073 0.000046 -0.000021 -0.000031 0.000007 0.001956 33O 4s 0.000569 0.000085 0.000110 0.000141 -0.000000 -0.006431 33O 5s -0.001255 -0.002171 -0.001256 -0.001053 0.000801 -0.001123 33O 1pz -0.000015 0.000002 -0.000016 -0.000004 -0.000005 0.000265 33O 1px -0.000028 -0.000038 -0.000009 0.000001 0.000003 -0.000330 33O 1py -0.000014 -0.000022 0.000001 -0.000018 -0.000002 0.000038 33O 2pz 0.000100 0.000078 0.000042 0.000004 0.000066 -0.002937 33O 2px 0.000053 0.000224 0.000040 -0.000019 -0.000040 0.003460 33O 2py 0.000047 0.000157 -0.000021 0.000064 0.000025 -0.000485 33O 3pz 0.000406 0.000619 -0.000170 0.000016 0.000180 -0.000820 33O 3px 0.000167 0.000422 0.000150 0.000077 -0.000296 -0.000665 33O 3py 0.000506 0.000761 0.000049 -0.000031 0.000009 -0.000718 33O 1dz2 -0.000009 -0.000016 0.000001 0.000004 0.000002 0.000011 33O 1dxz 0.000018 -0.000002 -0.000002 0.000005 -0.000001 -0.000034 33O 1dyz 0.000009 -0.000009 0.000000 -0.000000 0.000001 -0.000034 33O 1dx2y2 -0.000007 -0.000007 -0.000009 -0.000000 -0.000002 -0.000014 33O 1dxy 0.000019 0.000012 0.000000 -0.000006 -0.000001 -0.000044 33O 2dz2 0.000044 -0.000009 -0.000019 -0.000022 -0.000005 -0.000281 33O 2dxz -0.000072 -0.000013 0.000002 -0.000032 -0.000013 0.001796 33O 2dyz -0.000037 -0.000089 -0.000010 -0.000006 -0.000007 -0.000088 33O 2dx2y2 0.000005 0.000052 0.000044 0.000023 0.000012 -0.000899 33O 2dxy -0.000093 -0.000075 0.000006 0.000027 -0.000001 0.000451 33O 1f0 -0.000000 -0.000000 -0.000007 -0.000003 0.000002 0.000163 33O 1f+1 0.000005 0.000008 0.000004 -0.000001 -0.000002 0.000221 33O 1f-1 -0.000006 -0.000012 -0.000000 -0.000001 -0.000000 0.000038 33O 1f+2 -0.000006 -0.000013 0.000004 0.000005 -0.000001 -0.000340 33O 1f-2 0.000004 -0.000002 0.000002 0.000005 -0.000004 0.000064 33O 1f+3 -0.000002 0.000001 0.000004 0.000006 -0.000002 -0.000139 33O 1f-3 -0.000002 0.000012 -0.000001 0.000001 0.000000 0.000095 34O 1s 0.000000 0.000000 0.000001 0.000037 -0.000000 0.000000 34O 2s -0.000001 -0.000002 0.000001 0.000166 0.000003 -0.000002 34O 3s 0.000071 0.000022 -0.000012 -0.001946 -0.000049 0.000034 34O 4s -0.000165 -0.000027 0.000064 0.006333 0.000214 -0.000156 34O 5s -0.001921 -0.000278 0.000765 0.000841 -0.001117 0.001207 34O 1pz -0.000005 -0.000003 -0.000003 0.000014 -0.000018 -0.000005 34O 1px 0.000019 -0.000007 -0.000010 -0.000410 -0.000009 0.000002 34O 1py -0.000002 -0.000003 0.000007 0.000094 0.000004 -0.000019 34O 2pz 0.000062 0.000002 0.000020 -0.000121 0.000063 0.000035 34O 2px -0.000350 -0.000005 0.000115 0.004354 0.000071 -0.000009 34O 2py 0.000017 0.000034 -0.000066 -0.001072 -0.000008 0.000060 34O 3pz 0.000526 0.000203 -0.000036 0.000582 -0.000051 -0.000098 34O 3px -0.000232 -0.000305 0.000291 -0.000332 -0.000131 0.000145 34O 3py -0.000328 0.000138 -0.000023 -0.000794 -0.000030 -0.000063 34O 1dz2 0.000007 0.000008 -0.000002 -0.000007 -0.000003 -0.000007 34O 1dxz -0.000009 -0.000003 0.000002 -0.000022 0.000006 -0.000001 34O 1dyz 0.000005 -0.000009 -0.000002 -0.000051 0.000003 0.000000 34O 1dx2y2 0.000003 0.000005 -0.000001 -0.000019 -0.000006 0.000001 34O 1dxy -0.000013 -0.000008 -0.000003 0.000026 0.000001 0.000007 34O 2dz2 0.000050 -0.000015 -0.000013 -0.000941 -0.000010 0.000029 34O 2dxz 0.000054 0.000023 -0.000007 -0.000032 -0.000037 0.000019 34O 2dyz 0.000001 0.000031 0.000016 0.000238 -0.000007 -0.000004 34O 2dx2y2 -0.000099 -0.000027 0.000037 0.001588 0.000053 -0.000031 34O 2dxy 0.000102 0.000055 -0.000006 -0.000850 -0.000000 -0.000035 34O 1f0 0.000010 -0.000005 0.000000 0.000041 0.000004 -0.000000 34O 1f+1 0.000007 0.000001 -0.000003 -0.000256 -0.000005 0.000004 34O 1f-1 0.000004 -0.000004 0.000003 0.000049 -0.000001 0.000002 34O 1f+2 0.000025 0.000003 0.000003 -0.000011 -0.000006 0.000004 34O 1f-2 -0.000006 -0.000005 -0.000000 0.000085 0.000005 -0.000001 34O 1f+3 0.000025 -0.000001 -0.000002 -0.000320 -0.000008 0.000010 34O 1f-3 0.000003 -0.000005 0.000006 0.000219 -0.000000 0.000003 35O 1s 0.000001 -0.000000 -0.000000 -0.000000 0.000000 -0.000036 35O 2s -0.000005 0.000005 0.000001 0.000001 -0.000002 -0.000166 35O 3s 0.000138 -0.000059 -0.000026 -0.000026 0.000024 0.001948 35O 4s -0.000281 0.000167 0.000129 0.000135 -0.000046 -0.006320 35O 5s -0.001491 0.000329 -0.001286 -0.001283 0.000469 -0.000745 35O 1pz -0.000010 0.000013 -0.000016 -0.000003 -0.000006 0.000048 35O 1px 0.000009 -0.000025 -0.000003 0.000006 0.000000 0.000378 35O 1py -0.000005 0.000003 0.000005 -0.000018 -0.000004 0.000173 35O 2pz 0.000169 -0.000064 0.000046 -0.000008 0.000046 -0.000575 35O 2px -0.000203 0.000183 -0.000001 -0.000033 0.000004 -0.003996 35O 2py 0.000032 0.000013 -0.000040 0.000060 0.000030 -0.001861 35O 3pz 0.000911 -0.000195 -0.000024 0.000062 -0.000014 -0.000903 35O 3px 0.000093 -0.000188 -0.000189 -0.000176 0.000148 0.000426 35O 3py 0.000574 -0.000355 -0.000003 -0.000153 0.000052 -0.000367 35O 1dz2 -0.000009 -0.000000 -0.000003 0.000005 0.000000 -0.000032 35O 1dxz 0.000000 0.000009 0.000005 0.000002 0.000002 0.000043 35O 1dyz -0.000004 -0.000004 0.000003 -0.000004 0.000003 -0.000034 35O 1dx2y2 -0.000002 0.000003 -0.000004 -0.000004 0.000000 -0.000011 35O 1dxy 0.000013 0.000013 -0.000004 0.000004 0.000003 0.000011 35O 2dz2 0.000035 -0.000009 0.000001 -0.000023 -0.000004 0.001061 35O 2dxz -0.000028 -0.000051 -0.000034 -0.000022 -0.000003 -0.000526 35O 2dyz -0.000081 0.000017 -0.000018 0.000003 -0.000018 -0.000022 35O 2dx2y2 -0.000021 0.000027 0.000025 0.000029 -0.000004 -0.001042 35O 2dxy -0.000131 -0.000048 0.000013 -0.000013 -0.000012 -0.001291 35O 1f0 -0.000019 0.000004 0.000004 0.000003 -0.000002 0.000070 35O 1f+1 0.000020 -0.000000 -0.000007 -0.000004 0.000004 0.000276 35O 1f-1 -0.000023 0.000003 0.000000 0.000002 -0.000001 0.000138 35O 1f+2 0.000011 -0.000003 -0.000003 -0.000000 0.000001 -0.000105 35O 1f-2 0.000027 0.000001 -0.000005 -0.000004 0.000002 -0.000016 35O 1f+3 0.000019 -0.000009 -0.000002 -0.000007 0.000002 0.000108 35O 1f-3 0.000008 -0.000000 -0.000003 -0.000002 0.000002 0.000325 42 43 44 45 46 47 -10.11853 -10.11848 -10.11837 -10.11835 -2.93819 -2.93502 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s 0.000001 0.000000 0.000001 -0.000000 0.042005 -0.043031 0Rh 2s 0.000007 0.000001 0.000005 -0.000000 -0.158602 0.162625 0Rh 3s 0.000008 0.000001 0.000007 -0.000001 0.138959 -0.142263 0Rh 4s -0.000028 -0.000004 -0.000022 0.000001 0.573686 -0.588481 0Rh 5s 0.000045 0.000019 0.000033 0.000009 -0.326034 0.335725 0Rh 6s -0.000026 -0.000068 -0.000008 -0.000056 -0.616465 0.628792 0Rh 7s -0.000407 0.000852 -0.000488 0.000832 -0.037825 0.063092 0Rh 8s 0.000276 0.000060 0.000399 0.000119 0.001136 0.006730 0Rh 1pz 0.000001 0.000002 0.000000 0.000001 -0.000186 0.000042 0Rh 1px 0.000001 -0.000000 0.000001 -0.000000 0.000495 -0.000046 0Rh 1py 0.000001 0.000001 -0.000001 -0.000002 0.000132 -0.000052 0Rh 2pz -0.000005 -0.000012 -0.000001 -0.000006 0.000607 -0.000147 0Rh 2px -0.000006 0.000002 -0.000007 0.000001 -0.001604 0.000178 0Rh 2py -0.000004 -0.000005 0.000007 0.000011 -0.000431 0.000178 0Rh 3pz 0.000032 0.000074 0.000006 0.000036 -0.000375 0.000135 0Rh 3px 0.000037 -0.000013 0.000046 -0.000005 0.000867 -0.000188 0Rh 3py 0.000025 0.000033 -0.000041 -0.000068 0.000268 -0.000154 0Rh 4pz -0.000084 -0.000196 -0.000016 -0.000097 -0.000919 0.000318 0Rh 4px -0.000103 0.000039 -0.000126 0.000018 0.002792 -0.000700 0Rh 4py -0.000069 -0.000085 0.000109 0.000181 0.000646 -0.000254 0Rh 5pz 0.000132 0.000309 0.000021 0.000157 0.000854 -0.000490 0Rh 5px 0.000177 -0.000076 0.000215 -0.000045 -0.002938 0.001413 0Rh 5py 0.000113 0.000129 -0.000173 -0.000285 -0.000613 0.000273 0Rh 6pz -0.000564 -0.000182 -0.000038 0.000001 -0.000784 0.008571 0Rh 6px -0.000517 0.000188 -0.000644 0.000201 0.003126 -0.026606 0Rh 6py -0.000376 0.000065 0.000667 0.000196 0.002673 -0.005341 0Rh 1dz2 -0.000000 -0.000001 -0.000001 0.000000 -0.000463 0.000387 0Rh 1dxz 0.000001 0.000001 0.000001 0.000001 0.000117 -0.000237 0Rh 1dyz 0.000001 -0.000000 -0.000000 0.000001 -0.000544 0.000533 0Rh 1dx2y2 0.000000 -0.000000 0.000000 0.000001 -0.000710 0.000903 0Rh 1dxy 0.000002 0.000001 -0.000002 -0.000001 -0.000543 0.000621 0Rh 2dz2 0.000000 0.000006 0.000009 -0.000002 -0.000162 0.000142 0Rh 2dxz -0.000008 -0.000008 -0.000005 -0.000006 -0.000050 0.000018 0Rh 2dyz -0.000007 0.000003 0.000003 -0.000007 -0.000175 0.000172 0Rh 2dx2y2 -0.000003 0.000003 -0.000003 -0.000005 -0.000064 0.000113 0Rh 2dxy -0.000011 -0.000004 0.000011 0.000006 -0.000111 0.000129 0Rh 3dz2 -0.000001 -0.000018 -0.000026 0.000005 0.000940 -0.000792 0Rh 3dxz 0.000025 0.000024 0.000015 0.000017 -0.000113 0.000343 0Rh 3dyz 0.000023 -0.000008 -0.000009 0.000021 0.001099 -0.001075 0Rh 3dx2y2 0.000008 -0.000008 0.000009 0.000014 0.001253 -0.001620 0Rh 3dxy 0.000032 0.000012 -0.000034 -0.000018 0.001028 -0.001170 0Rh 4dz2 -0.000001 0.000036 0.000059 -0.000011 0.000563 -0.000787 0Rh 4dxz -0.000053 -0.000052 -0.000034 -0.000037 -0.000499 0.000235 0Rh 4dyz -0.000056 0.000013 0.000024 -0.000043 0.000891 -0.000974 0Rh 4dx2y2 -0.000019 0.000017 -0.000018 -0.000029 0.001429 -0.001059 0Rh 4dxy -0.000074 -0.000026 0.000075 0.000039 0.000993 -0.000879 0Rh 5dz2 0.000016 0.000017 -0.000121 -0.000005 0.000855 -0.000257 0Rh 5dxz 0.000081 0.000092 0.000056 0.000091 0.001377 -0.000654 0Rh 5dyz 0.000125 0.000130 -0.000049 -0.000049 0.000082 0.000141 0Rh 5dx2y2 0.000052 -0.000047 0.000036 -0.000004 -0.002051 0.000968 0Rh 5dxy 0.000149 0.000082 -0.000126 -0.000111 -0.000776 0.000364 0Rh 1f0 0.000002 -0.000004 -0.000000 0.000000 0.000158 -0.000029 0Rh 1f+1 -0.000006 0.000001 0.000004 -0.000000 -0.000118 0.000013 0Rh 1f-1 0.000001 -0.000002 -0.000004 0.000001 0.000000 -0.000011 0Rh 1f+2 0.000002 -0.000000 -0.000002 0.000002 -0.000225 0.000076 0Rh 1f-2 -0.000009 0.000005 0.000009 -0.000005 -0.000055 -0.000003 0Rh 1f+3 -0.000001 0.000001 -0.000004 0.000001 -0.000219 0.000036 0Rh 1f-3 0.000004 -0.000002 -0.000002 0.000006 -0.000119 0.000014 1Rh 1s -0.000000 -0.000001 0.000000 -0.000001 0.042952 0.042085 1Rh 2s -0.000000 -0.000007 0.000001 -0.000005 -0.162181 -0.159056 1Rh 3s -0.000000 -0.000008 0.000001 -0.000007 0.142089 0.139136 1Rh 4s 0.000003 0.000028 -0.000001 0.000022 0.586638 0.575572 1Rh 5s -0.000018 -0.000046 -0.000009 -0.000033 -0.333422 -0.328388 1Rh 6s 0.000066 0.000027 0.000055 0.000009 -0.630307 -0.614923 1Rh 7s -0.000844 0.000404 -0.000824 0.000491 -0.039201 -0.062228 1Rh 8s -0.000060 -0.000279 -0.000117 -0.000406 0.000999 -0.006755 1Rh 1pz 0.000002 0.000001 0.000001 0.000000 0.000187 0.000038 1Rh 1px -0.000000 0.000001 -0.000000 0.000001 -0.000496 -0.000036 1Rh 1py 0.000001 0.000001 -0.000002 -0.000001 -0.000133 -0.000050 1Rh 2pz -0.000012 -0.000005 -0.000006 -0.000001 -0.000611 -0.000134 1Rh 2px 0.000002 -0.000006 0.000001 -0.000007 0.001609 0.000144 1Rh 2py -0.000005 -0.000004 0.000011 0.000007 0.000435 0.000169 1Rh 3pz 0.000074 0.000031 0.000036 0.000006 0.000377 0.000126 1Rh 3px -0.000013 0.000036 -0.000005 0.000046 -0.000873 -0.000171 1Rh 3py 0.000032 0.000026 -0.000069 -0.000041 -0.000273 -0.000149 1Rh 4pz -0.000196 -0.000083 -0.000096 -0.000015 0.000928 0.000299 1Rh 4px 0.000039 -0.000102 0.000018 -0.000126 -0.002808 -0.000639 1Rh 4py -0.000083 -0.000070 0.000181 0.000107 -0.000650 -0.000240 1Rh 5pz 0.000310 0.000129 0.000156 0.000020 -0.000865 -0.000471 1Rh 5px -0.000075 0.000176 -0.000045 0.000215 0.002968 0.001347 1Rh 5py 0.000126 0.000114 -0.000286 -0.000170 0.000618 0.000260 1Rh 6pz -0.000198 -0.000565 0.000000 -0.000043 0.000984 0.008541 1Rh 6px 0.000183 -0.000515 0.000198 -0.000647 -0.003708 -0.026531 1Rh 6py 0.000069 -0.000391 0.000209 0.000667 -0.002779 -0.005286 1Rh 1dz2 0.000001 0.000000 -0.000000 0.000001 -0.000472 -0.000377 1Rh 1dxz -0.000001 -0.000001 -0.000001 -0.000001 0.000122 0.000234 1Rh 1dyz 0.000000 -0.000001 -0.000001 0.000000 -0.000556 -0.000521 1Rh 1dx2y2 0.000000 -0.000000 -0.000001 -0.000000 -0.000729 -0.000886 1Rh 1dxy -0.000001 -0.000002 0.000001 0.000002 -0.000557 -0.000609 1Rh 2dz2 -0.000006 -0.000001 0.000002 -0.000009 -0.000165 -0.000138 1Rh 2dxz 0.000008 0.000008 0.000006 0.000005 -0.000050 -0.000017 1Rh 2dyz -0.000003 0.000007 0.000007 -0.000003 -0.000179 -0.000168 1Rh 2dx2y2 -0.000003 0.000003 0.000005 0.000003 -0.000066 -0.000111 1Rh 2dxy 0.000004 0.000011 -0.000006 -0.000011 -0.000114 -0.000126 1Rh 3dz2 0.000018 0.000001 -0.000005 0.000026 0.000959 0.000773 1Rh 3dxz -0.000024 -0.000024 -0.000017 -0.000015 -0.000119 -0.000340 1Rh 3dyz 0.000008 -0.000023 -0.000021 0.000009 0.001125 0.001053 1Rh 3dx2y2 0.000008 -0.000008 -0.000014 -0.000009 0.001287 0.001590 1Rh 3dxy -0.000012 -0.000032 0.000018 0.000034 0.001054 0.001147 1Rh 4dz2 -0.000038 0.000001 0.000011 -0.000059 0.000581 0.000775 1Rh 4dxz 0.000052 0.000052 0.000037 0.000034 -0.000504 -0.000223 1Rh 4dyz -0.000013 0.000057 0.000043 -0.000024 0.000914 0.000956 1Rh 4dx2y2 -0.000017 0.000019 0.000029 0.000018 0.001452 0.001027 1Rh 4dxy 0.000026 0.000074 -0.000039 -0.000075 0.001015 0.000858 1Rh 5dz2 -0.000013 -0.000015 0.000005 0.000122 0.000862 0.000239 1Rh 5dxz -0.000092 -0.000080 -0.000092 -0.000055 0.001392 0.000622 1Rh 5dyz -0.000127 -0.000128 0.000046 0.000051 0.000079 -0.000143 1Rh 5dx2y2 0.000048 -0.000051 0.000002 -0.000035 -0.002073 -0.000922 1Rh 5dxy -0.000082 -0.000149 0.000111 0.000127 -0.000788 -0.000347 1Rh 1f0 -0.000004 0.000002 0.000000 -0.000000 -0.000158 -0.000025 1Rh 1f+1 0.000001 -0.000006 -0.000000 0.000004 0.000118 0.000010 1Rh 1f-1 -0.000002 0.000001 0.000001 -0.000004 -0.000001 -0.000012 1Rh 1f+2 -0.000000 0.000002 0.000002 -0.000002 0.000227 0.000072 1Rh 1f-2 0.000005 -0.000009 -0.000005 0.000009 0.000056 -0.000004 1Rh 1f+3 0.000001 -0.000001 0.000001 -0.000004 0.000219 0.000031 1Rh 1f-3 -0.000002 0.000004 0.000006 -0.000002 0.000120 0.000011 2C 1s 0.467554 -0.000552 -0.000044 0.000129 0.000001 0.000000 2C 2s 0.609359 -0.000720 -0.000057 0.000169 0.000016 -0.000010 2C 3s 0.030624 -0.000099 -0.000050 0.000082 0.001607 0.000032 2C 4s -0.012752 0.000391 0.000323 -0.000479 -0.010517 -0.000110 2C 5s 0.023525 -0.000120 0.000652 -0.000523 0.025286 0.001858 2C 1pz 0.000398 -0.000007 -0.000007 0.000009 0.000083 0.000008 2C 1px 0.000028 -0.000001 -0.000002 0.000000 0.000038 -0.000013 2C 1py 0.000278 -0.000004 -0.000002 0.000008 0.000043 -0.000000 2C 2pz 0.000577 0.000179 0.000188 -0.000277 -0.004950 -0.000246 2C 2px -0.000104 0.000037 0.000018 -0.000061 -0.001332 0.000283 2C 2py 0.000434 0.000117 0.000133 -0.000180 -0.003193 -0.000039 2C 3pz 0.001525 0.000006 0.000202 -0.000065 0.005026 -0.000015 2C 3px 0.000093 0.000005 0.000053 0.000014 0.000902 0.000646 2C 3py 0.001145 -0.000016 -0.000020 -0.000173 0.003405 0.000257 2C 1dz2 0.000017 0.000002 -0.000002 -0.000011 -0.000084 -0.000002 2C 1dxz -0.000029 0.000003 0.000001 -0.000005 -0.000047 0.000006 2C 1dyz 0.000063 0.000007 0.000009 -0.000004 -0.000121 -0.000002 2C 1dx2y2 0.000026 -0.000001 -0.000007 0.000000 0.000055 -0.000001 2C 1dxy 0.000023 0.000002 -0.000002 -0.000004 -0.000019 0.000004 2C 2dz2 0.000011 0.000043 0.000063 -0.000037 -0.001235 -0.000185 2C 2dxz 0.000338 0.000021 0.000025 -0.000018 -0.000345 0.000155 2C 2dyz -0.000159 0.000054 0.000039 -0.000102 -0.002013 -0.000103 2C 2dx2y2 -0.000286 -0.000021 -0.000005 0.000037 0.000304 0.000051 2C 2dxy -0.000042 0.000011 0.000010 -0.000013 -0.000475 0.000129 2C 1f0 0.000271 0.000002 0.000003 -0.000003 -0.000062 -0.000019 2C 1f+1 0.000126 0.000003 0.000004 -0.000008 -0.000074 0.000015 2C 1f-1 0.000454 0.000011 0.000005 -0.000011 -0.000292 -0.000009 2C 1f+2 -0.000705 -0.000005 -0.000005 0.000008 0.000163 0.000000 2C 1f-2 0.000776 0.000004 0.000002 -0.000004 -0.000114 0.000045 2C 1f+3 -0.000613 0.000002 0.000001 -0.000000 -0.000031 -0.000008 2C 1f-3 -0.000104 0.000001 0.000002 -0.000004 -0.000025 -0.000009 3C 1s 0.000044 -0.000209 0.467551 -0.001653 0.000001 0.000000 3C 2s 0.000058 -0.000272 0.609356 -0.002154 0.000015 -0.000006 3C 3s -0.000073 0.000030 0.030627 -0.000172 0.001529 -0.000019 3C 4s 0.000477 -0.000300 -0.012748 0.000419 -0.010084 0.000101 3C 5s 0.000475 -0.000727 0.023317 -0.000160 0.024494 0.001673 3C 1pz -0.000007 0.000001 0.000281 -0.000005 0.000021 0.000002 3C 1px -0.000002 0.000001 0.000118 -0.000003 0.000037 -0.000017 3C 1py 0.000008 -0.000008 -0.000378 0.000008 -0.000083 -0.000000 3C 2pz 0.000153 -0.000106 0.000524 0.000101 -0.002504 -0.000107 3C 2px 0.000070 -0.000074 0.000121 0.000060 -0.001924 0.000311 3C 2py -0.000280 0.000176 -0.000519 -0.000175 0.004844 0.000092 3C 3pz 0.000171 0.000025 0.001153 -0.000025 0.002840 -0.000026 3C 3px 0.000082 -0.000057 0.000470 0.000004 0.002015 0.000651 3C 3py -0.000052 0.000198 -0.001402 -0.000016 -0.004821 -0.000126 3C 1dz2 -0.000008 -0.000008 -0.000028 -0.000001 0.000015 -0.000001 3C 1dxz 0.000002 -0.000006 -0.000015 0.000002 -0.000049 0.000004 3C 1dyz -0.000004 0.000007 -0.000077 -0.000005 0.000098 0.000003 3C 1dx2y2 -0.000008 0.000001 0.000013 -0.000002 0.000088 0.000000 3C 1dxy -0.000003 0.000004 -0.000009 -0.000004 0.000072 -0.000004 3C 2dz2 0.000005 0.000038 0.000103 -0.000015 0.000477 -0.000055 3C 2dxz 0.000046 -0.000009 0.000232 0.000023 -0.000399 0.000075 3C 2dyz -0.000085 0.000030 0.000256 -0.000045 0.001816 0.000118 3C 2dx2y2 -0.000044 0.000041 -0.000206 -0.000043 0.001016 0.000157 3C 2dxy -0.000045 0.000035 -0.000148 -0.000032 0.000900 -0.000159 3C 1f0 -0.000003 0.000002 0.000160 -0.000007 0.000152 0.000004 3C 1f+1 0.000002 -0.000002 0.000148 -0.000001 -0.000011 0.000003 3C 1f-1 -0.000001 -0.000001 0.000384 -0.000001 0.000025 0.000020 3C 1f+2 -0.000008 0.000003 -0.000995 -0.000006 0.000205 0.000002 3C 1f-2 -0.000008 0.000006 -0.000737 -0.000004 0.000164 -0.000025 3C 1f+3 0.000010 -0.000006 0.000220 0.000006 -0.000146 0.000022 3C 1f-3 -0.000006 0.000003 0.000036 -0.000003 0.000091 0.000032 4C 1s -0.000388 0.000000 0.000000 0.000000 0.000008 -0.000000 4C 2s -0.000439 -0.000003 -0.000002 0.000006 0.000199 -0.000005 4C 3s 0.000031 0.000130 -0.000002 -0.000113 -0.004828 0.000114 4C 4s 0.001624 -0.000630 0.000142 0.000367 0.017832 -0.000273 4C 5s -0.009599 0.000123 0.000624 -0.000383 -0.010676 -0.001258 4C 1pz -0.000295 -0.000007 -0.000010 -0.000001 0.000045 0.000005 4C 1px -0.000042 -0.000007 0.000001 0.000002 0.000019 0.000003 4C 1py -0.000195 -0.000007 -0.000001 0.000012 0.000021 0.000008 4C 2pz 0.003023 0.000068 0.000267 -0.000138 -0.003364 -0.000800 4C 2px 0.000057 0.000182 -0.000078 -0.000160 -0.001041 0.001834 4C 2py 0.001876 0.000110 0.000106 -0.000198 -0.002326 0.000192 4C 3pz 0.001535 0.000140 0.000713 -0.000767 0.013773 0.001417 4C 3px -0.001005 0.000054 0.000096 -0.000247 0.002739 -0.003498 4C 3py 0.000662 0.000123 0.000794 -0.000276 0.009157 -0.000510 4C 1dz2 -0.000064 0.000003 0.000011 -0.000005 -0.000222 -0.000028 4C 1dxz -0.000062 0.000007 0.000007 -0.000012 -0.000147 0.000057 4C 1dyz -0.000119 0.000004 0.000003 -0.000009 -0.000293 0.000004 4C 1dx2y2 0.000045 -0.000006 -0.000005 0.000017 0.000216 -0.000003 4C 1dxy -0.000036 0.000001 -0.000003 0.000004 -0.000018 0.000041 4C 2dz2 -0.001715 -0.000065 -0.000088 0.000149 0.001759 -0.000623 4C 2dxz -0.001334 0.000046 -0.000160 0.000054 -0.000066 0.001168 4C 2dyz -0.001733 -0.000095 -0.000073 0.000152 0.003851 -0.000063 4C 2dx2y2 0.001758 -0.000008 0.000135 -0.000123 0.000381 -0.000001 4C 2dxy 0.000164 -0.000003 -0.000006 -0.000037 0.001423 0.000822 4C 1f0 0.000051 0.000008 -0.000008 -0.000006 -0.000192 -0.000049 4C 1f+1 0.000069 0.000012 -0.000008 -0.000006 -0.000379 0.000068 4C 1f-1 0.000632 0.000009 0.000012 -0.000015 -0.000169 -0.000008 4C 1f+2 -0.000219 -0.000020 0.000005 0.000012 0.000360 0.000049 4C 1f-2 0.000206 0.000007 -0.000000 -0.000009 -0.000054 0.000041 4C 1f+3 0.000144 -0.000005 0.000010 0.000002 0.000037 0.000071 4C 1f-3 -0.000027 0.000004 -0.000006 0.000004 -0.000298 0.000047 5C 1s -0.000000 0.000000 -0.000387 0.000001 0.000009 -0.000000 5C 2s -0.000006 0.000003 -0.000437 -0.000002 0.000193 -0.000002 5C 3s 0.000097 -0.000019 0.000032 0.000135 -0.004622 0.000030 5C 4s -0.000312 -0.000061 0.001601 -0.000666 0.017012 0.000063 5C 5s 0.000448 -0.000553 -0.009510 0.000139 -0.010980 -0.000588 5C 1pz -0.000012 -0.000003 -0.000179 -0.000004 0.000010 -0.000002 5C 1px 0.000002 0.000007 -0.000100 -0.000007 0.000011 -0.000012 5C 1py 0.000002 -0.000008 0.000291 0.000007 -0.000041 0.000000 5C 2pz 0.000206 -0.000042 0.001874 0.000031 -0.001895 -0.000623 5C 2px -0.000069 -0.000224 0.000768 0.000134 -0.001156 0.002022 5C 2py -0.000215 0.000177 -0.002918 -0.000084 0.003343 0.000357 5C 3pz 0.000224 -0.000736 0.001095 0.000116 0.007974 0.001440 5C 3px 0.000235 -0.000284 -0.000492 0.000071 0.004088 -0.003044 5C 3py -0.000819 0.000705 -0.001203 -0.000159 -0.013141 -0.001299 5C 1dz2 0.000009 0.000002 0.000019 0.000002 -0.000021 -0.000023 5C 1dxz 0.000011 -0.000007 -0.000055 0.000007 -0.000185 0.000033 5C 1dyz -0.000005 -0.000000 0.000097 -0.000002 0.000225 0.000023 5C 1dx2y2 -0.000014 0.000012 0.000072 -0.000005 0.000273 0.000027 5C 1dxy -0.000005 0.000007 0.000086 -0.000006 0.000186 -0.000054 5C 2dz2 -0.000002 0.000052 -0.000279 0.000030 -0.001484 -0.000364 5C 2dxz -0.000132 0.000061 -0.001363 0.000010 0.000401 0.000570 5C 2dyz 0.000077 -0.000068 0.001239 0.000101 -0.003576 0.000512 5C 2dx2y2 0.000135 -0.000194 0.002342 0.000017 -0.000767 0.000666 5C 2dxy 0.000162 -0.000025 0.001365 0.000009 -0.001668 -0.001098 5C 1f0 -0.000015 0.000007 -0.000436 0.000003 -0.000058 -0.000038 5C 1f+1 0.000003 0.000010 -0.000071 0.000005 -0.000228 0.000024 5C 1f-1 -0.000000 0.000003 -0.000076 -0.000001 0.000019 0.000013 5C 1f+2 -0.000008 0.000009 -0.000393 -0.000009 0.000102 0.000060 5C 1f-2 -0.000002 0.000008 -0.000274 -0.000017 0.000294 0.000001 5C 1f+3 0.000012 0.000006 0.000290 0.000010 -0.000342 0.000073 5C 1f-3 -0.000004 -0.000004 -0.000087 -0.000014 0.000338 0.000045 6C 1s -0.000000 0.000000 0.000001 0.000387 0.000009 -0.000000 6C 2s -0.000003 0.000006 0.000005 0.000437 0.000193 -0.000002 6C 3s 0.000014 -0.000094 -0.000136 -0.000030 -0.004627 0.000074 6C 4s 0.000081 0.000293 0.000657 -0.001608 0.017030 -0.000454 6C 5s 0.000562 -0.000458 -0.000070 0.009519 -0.010992 0.000852 6C 1pz -0.000003 -0.000012 -0.000005 -0.000179 -0.000010 -0.000002 6C 1px 0.000007 0.000002 -0.000007 -0.000100 -0.000012 -0.000012 6C 1py -0.000008 0.000002 0.000009 0.000291 0.000040 -0.000000 6C 2pz -0.000044 0.000208 0.000044 0.001875 0.001874 -0.000665 6C 2px -0.000221 -0.000073 0.000137 0.000758 0.001209 0.001992 6C 2py 0.000177 -0.000217 -0.000104 -0.002919 -0.003324 0.000429 6C 3pz -0.000743 0.000226 0.000121 0.001102 -0.007943 0.001640 6C 3px -0.000288 0.000241 0.000067 -0.000516 -0.004140 -0.002953 6C 3py 0.000712 -0.000826 -0.000164 -0.001211 0.013112 -0.001625 6C 1dz2 -0.000002 -0.000009 -0.000002 -0.000019 -0.000021 0.000023 6C 1dxz 0.000006 -0.000011 -0.000006 0.000055 -0.000186 -0.000029 6C 1dyz 0.000000 0.000005 0.000001 -0.000096 0.000224 -0.000028 6C 1dx2y2 -0.000012 0.000014 0.000005 -0.000072 0.000272 -0.000033 6C 1dxy -0.000007 0.000005 0.000005 -0.000086 0.000188 0.000050 6C 2dz2 -0.000053 0.000003 -0.000028 0.000280 -0.001476 0.000400 6C 2dxz -0.000062 0.000133 -0.000000 0.001364 0.000385 -0.000577 6C 2dyz 0.000065 -0.000074 -0.000109 -0.001239 -0.003586 -0.000432 6C 2dx2y2 0.000193 -0.000135 -0.000032 -0.002343 -0.000780 -0.000650 6C 2dxy 0.000025 -0.000163 -0.000019 -0.001364 -0.001641 0.001136 6C 1f0 0.000007 -0.000016 -0.000000 -0.000436 0.000058 -0.000039 6C 1f+1 0.000011 0.000003 0.000005 -0.000070 0.000229 0.000019 6C 1f-1 0.000003 -0.000000 -0.000001 -0.000075 -0.000018 0.000014 6C 1f+2 0.000009 -0.000008 -0.000012 -0.000393 -0.000100 0.000063 6C 1f-2 0.000008 -0.000002 -0.000019 -0.000273 -0.000295 0.000007 6C 1f+3 0.000007 0.000012 0.000013 0.000291 0.000344 0.000065 6C 1f-3 -0.000004 -0.000003 -0.000014 -0.000086 -0.000337 0.000053 7C 1s 0.000001 0.000388 -0.000000 -0.000000 0.000008 0.000000 7C 2s 0.000004 0.000439 -0.000006 0.000002 0.000199 0.000000 7C 3s -0.000131 -0.000030 0.000114 0.000001 -0.004836 -0.000008 7C 4s 0.000630 -0.001627 -0.000374 -0.000138 0.017871 -0.000120 7C 5s -0.000098 0.009615 0.000385 -0.000625 -0.010645 0.001529 7C 1pz -0.000008 -0.000295 -0.000001 -0.000010 -0.000045 0.000006 7C 1px -0.000007 -0.000041 0.000002 0.000001 -0.000019 0.000003 7C 1py -0.000008 -0.000196 0.000012 -0.000001 -0.000021 0.000009 7C 2pz 0.000076 0.003024 -0.000136 0.000271 0.003332 -0.000880 7C 2px 0.000178 0.000044 -0.000156 -0.000080 0.001071 0.001807 7C 2py 0.000114 0.001879 -0.000196 0.000108 0.002335 0.000134 7C 3pz 0.000146 0.001555 -0.000755 0.000722 -0.013734 0.001725 7C 3px 0.000049 -0.001031 -0.000244 0.000098 -0.002798 -0.003450 7C 3py 0.000126 0.000661 -0.000266 0.000800 -0.009207 -0.000311 7C 1dz2 -0.000003 0.000064 0.000005 -0.000011 -0.000222 0.000033 7C 1dxz -0.000007 0.000062 0.000012 -0.000007 -0.000149 -0.000054 7C 1dyz -0.000004 0.000119 0.000009 -0.000004 -0.000293 0.000002 7C 1dx2y2 0.000006 -0.000045 -0.000017 0.000005 0.000216 -0.000002 7C 1dxy -0.000001 0.000036 -0.000004 0.000003 -0.000019 -0.000040 7C 2dz2 0.000068 0.001707 -0.000146 0.000089 0.001759 0.000581 7C 2dxz -0.000042 0.001329 -0.000053 0.000162 -0.000099 -0.001168 7C 2dyz 0.000100 0.001739 -0.000152 0.000075 0.003857 -0.000022 7C 2dx2y2 0.000004 -0.001767 0.000121 -0.000137 0.000381 -0.000004 7C 2dxy 0.000003 -0.000166 0.000035 0.000006 0.001407 -0.000855 7C 1f0 0.000009 0.000046 -0.000006 -0.000008 0.000190 -0.000053 7C 1f+1 0.000013 0.000067 -0.000007 -0.000008 0.000379 0.000059 7C 1f-1 0.000010 0.000632 -0.000015 0.000012 0.000169 -0.000012 7C 1f+2 -0.000021 -0.000222 0.000012 0.000005 -0.000361 0.000057 7C 1f-2 0.000007 0.000205 -0.000009 -0.000000 0.000055 0.000040 7C 1f+3 -0.000005 0.000144 0.000002 0.000010 -0.000036 0.000072 7C 1f-3 0.000004 -0.000024 0.000003 -0.000006 0.000301 0.000041 8C 1s 0.000129 -0.000041 -0.001653 -0.467551 0.000001 -0.000000 8C 2s 0.000168 -0.000054 -0.002154 -0.609356 0.000015 0.000005 8C 3s -0.000034 0.000073 -0.000045 -0.030628 0.001530 -0.000015 8C 4s 0.000296 -0.000473 -0.000329 0.012753 -0.010084 0.000125 8C 5s 0.000734 -0.000476 -0.000002 -0.023335 0.024475 -0.002283 8C 1pz 0.000001 -0.000007 -0.000003 0.000280 -0.000021 0.000003 8C 1px 0.000001 -0.000002 -0.000002 0.000117 -0.000037 -0.000016 8C 1py -0.000008 0.000008 0.000005 -0.000379 0.000082 -0.000002 8C 2pz -0.000104 0.000152 0.000105 0.000522 0.002502 -0.000164 8C 2px -0.000073 0.000068 0.000061 0.000117 0.001935 0.000268 8C 2py 0.000173 -0.000278 -0.000178 -0.000519 -0.004835 0.000201 8C 3pz 0.000025 0.000172 -0.000017 0.001151 -0.002843 0.000043 8C 3px -0.000056 0.000080 0.000008 0.000468 -0.002003 0.000701 8C 3py 0.000199 -0.000051 -0.000024 -0.001408 0.004822 -0.000243 8C 1dz2 0.000008 0.000008 0.000002 0.000028 0.000015 0.000001 8C 1dxz 0.000006 -0.000002 -0.000002 0.000015 -0.000049 -0.000003 8C 1dyz -0.000006 0.000004 0.000006 0.000077 0.000097 -0.000005 8C 1dx2y2 -0.000001 0.000008 0.000002 -0.000013 0.000088 -0.000002 8C 1dxy -0.000004 0.000003 0.000004 0.000008 0.000072 0.000002 8C 2dz2 -0.000038 -0.000006 0.000015 -0.000104 0.000478 0.000044 8C 2dxz 0.000009 -0.000045 -0.000024 -0.000234 -0.000398 -0.000066 8C 2dyz -0.000029 0.000084 0.000043 -0.000258 0.001812 -0.000160 8C 2dx2y2 -0.000041 0.000043 0.000044 0.000203 0.001013 -0.000181 8C 2dxy -0.000034 0.000044 0.000033 0.000150 0.000902 0.000139 8C 1f0 0.000002 -0.000003 -0.000006 0.000164 -0.000152 0.000008 8C 1f+1 -0.000002 0.000002 0.000000 0.000133 0.000011 0.000002 8C 1f-1 -0.000001 -0.000001 0.000001 0.000381 -0.000024 0.000021 8C 1f+2 0.000003 -0.000008 -0.000013 -0.000990 -0.000205 0.000006 8C 1f-2 0.000006 -0.000008 -0.000009 -0.000749 -0.000164 -0.000022 8C 1f+3 -0.000005 0.000010 0.000007 0.000214 0.000146 0.000018 8C 1f-3 0.000003 -0.000006 -0.000003 0.000031 -0.000091 0.000034 9C 1s -0.000553 -0.467554 -0.000209 0.000042 0.000001 -0.000000 9C 2s -0.000720 -0.609359 -0.000273 0.000054 0.000016 0.000010 9C 3s 0.000027 -0.030625 -0.000088 0.000052 0.001606 -0.000070 9C 4s -0.000362 0.012750 0.000482 -0.000332 -0.010512 0.000351 9C 5s 0.000060 -0.023554 0.000500 -0.000655 0.025261 -0.002460 9C 1pz -0.000006 0.000398 0.000009 -0.000008 -0.000082 0.000010 9C 1px -0.000001 0.000027 -0.000000 -0.000002 -0.000038 -0.000012 9C 1py -0.000004 0.000277 0.000008 -0.000003 -0.000044 0.000001 9C 2pz 0.000181 0.000581 -0.000276 0.000191 0.004924 -0.000361 9C 2px 0.000036 -0.000106 -0.000060 0.000018 0.001332 0.000253 9C 2py 0.000119 0.000428 -0.000179 0.000136 0.003222 -0.000115 9C 3pz 0.000010 0.001534 -0.000059 0.000204 -0.005018 0.000098 9C 3px 0.000006 0.000092 0.000014 0.000053 -0.000875 0.000667 9C 3py -0.000011 0.001141 -0.000173 -0.000018 -0.003421 0.000337 9C 1dz2 -0.000002 -0.000017 0.000011 0.000002 -0.000083 0.000004 9C 1dxz -0.000002 0.000029 0.000005 -0.000001 -0.000047 -0.000005 9C 1dyz -0.000007 -0.000063 0.000004 -0.000009 -0.000121 0.000005 9C 1dx2y2 0.000001 -0.000026 -0.000000 0.000007 0.000056 0.000000 9C 1dxy -0.000003 -0.000023 0.000004 0.000002 -0.000018 -0.000003 9C 2dz2 -0.000043 -0.000007 0.000036 -0.000063 -0.001221 0.000214 9C 2dxz -0.000022 -0.000342 0.000017 -0.000026 -0.000340 -0.000147 9C 2dyz -0.000054 0.000160 0.000102 -0.000040 -0.002017 0.000152 9C 2dx2y2 0.000022 0.000288 -0.000038 0.000006 0.000309 -0.000059 9C 2dxy -0.000011 0.000041 0.000013 -0.000010 -0.000476 -0.000118 9C 1f0 0.000003 0.000268 -0.000003 0.000003 0.000060 -0.000020 9C 1f+1 0.000003 0.000131 -0.000008 0.000004 0.000074 0.000014 9C 1f-1 0.000012 0.000446 -0.000011 0.000005 0.000292 -0.000016 9C 1f+2 -0.000007 -0.000729 0.000008 -0.000005 -0.000165 0.000003 9C 1f-2 0.000006 0.000765 -0.000004 0.000002 0.000114 0.000043 9C 1f+3 0.000000 -0.000600 -0.000000 0.000001 0.000031 -0.000008 9C 1f-3 0.000001 -0.000131 -0.000004 0.000002 0.000025 -0.000011 10H 1s -0.000346 -0.000001 -0.000003 0.000002 0.000053 0.000004 10H 2s -0.001041 0.000012 0.000028 -0.000002 0.000212 -0.000135 10H 3s -0.003597 0.000011 -0.000048 0.000021 -0.001988 -0.000549 10H 1pz -0.000666 -0.000003 0.000003 0.000002 0.000146 -0.000033 10H 1px 0.001124 -0.000001 -0.000002 -0.000001 -0.000077 0.000026 10H 1py -0.000190 -0.000002 0.000001 0.000001 0.000094 -0.000024 11H 1s -0.000399 -0.000001 -0.000001 -0.000001 -0.000008 0.000023 11H 2s -0.001784 0.000002 -0.000013 -0.000010 -0.000449 -0.000259 11H 3s -0.003950 0.000052 0.000007 0.000067 -0.001973 -0.000172 11H 1pz -0.000857 -0.000002 -0.000004 0.000003 0.000104 -0.000039 11H 1px -0.000960 -0.000002 -0.000003 -0.000002 -0.000007 -0.000022 11H 1py 0.000659 -0.000000 0.000000 0.000005 0.000045 0.000014 12H 1s -0.000384 0.000000 0.000001 0.000001 0.000015 0.000023 12H 2s -0.001637 -0.000002 0.000009 -0.000005 -0.000276 -0.000286 12H 3s -0.003826 0.000036 -0.000080 -0.000005 -0.001928 -0.000082 12H 1pz 0.000333 -0.000002 -0.000004 0.000001 0.000089 -0.000002 12H 1px -0.000645 -0.000002 0.000002 0.000001 -0.000011 -0.000021 12H 1py -0.001224 -0.000003 0.000000 0.000003 0.000110 -0.000042 13H 1s -0.000003 0.000001 -0.000353 0.000000 0.000055 -0.000001 13H 2s 0.000030 -0.000004 -0.001086 0.000017 0.000156 -0.000094 13H 3s -0.000023 0.000072 -0.003583 0.000017 -0.002027 -0.000430 13H 1pz 0.000002 0.000002 -0.000835 0.000001 0.000134 -0.000034 13H 1px -0.000001 0.000001 0.000939 -0.000004 -0.000029 0.000010 13H 1py -0.000001 -0.000001 0.000435 0.000001 -0.000111 0.000020 14H 1s -0.000002 -0.000000 -0.000375 0.000001 0.000023 0.000019 14H 2s -0.000019 -0.000002 -0.001523 -0.000002 -0.000232 -0.000222 14H 3s 0.000046 0.000075 -0.003764 0.000046 -0.001828 -0.000002 14H 1pz -0.000004 0.000002 -0.000631 -0.000001 0.000108 -0.000014 14H 1px -0.000007 0.000000 -0.001232 -0.000000 0.000040 -0.000030 14H 1py -0.000000 -0.000002 -0.000228 0.000003 -0.000075 0.000002 15H 1s 0.000001 -0.000001 -0.000405 -0.000000 -0.000013 0.000016 15H 2s 0.000013 0.000011 -0.001781 0.000004 -0.000491 -0.000189 15H 3s -0.000061 0.000014 -0.003963 0.000072 -0.001867 -0.000132 15H 1pz -0.000006 -0.000001 0.000947 -0.000001 0.000062 0.000014 15H 1px -0.000001 0.000001 -0.000287 -0.000001 0.000010 -0.000001 15H 1py 0.000002 -0.000005 0.001049 -0.000000 -0.000086 0.000035 16H 1s 0.000002 -0.000002 0.000002 0.000002 -0.000030 0.000063 16H 2s 0.000022 0.000030 -0.000097 0.000002 -0.001237 0.000532 16H 3s 0.000105 -0.000034 -0.000031 -0.000004 0.000167 0.000388 16H 1pz -0.000000 0.000000 -0.000021 -0.000000 -0.000182 0.000124 16H 1px 0.000003 0.000003 0.000002 -0.000004 0.000039 -0.000006 16H 1py 0.000003 0.000001 0.000001 0.000002 0.000007 0.000013 17H 1s -0.000002 0.000001 0.000005 -0.000003 -0.000028 0.000061 17H 2s -0.000017 0.000017 -0.000075 0.000020 -0.001264 0.000541 17H 3s -0.000051 -0.000021 -0.000002 -0.000093 0.000192 0.000340 17H 1pz -0.000005 -0.000004 0.000012 0.000000 0.000118 -0.000092 17H 1px 0.000001 -0.000004 -0.000001 -0.000005 0.000170 -0.000102 17H 1py -0.000001 -0.000001 0.000002 0.000004 -0.000023 0.000033 18H 1s -0.000001 0.000002 0.000003 -0.000005 -0.000030 -0.000061 18H 2s -0.000016 0.000014 -0.000021 0.000074 -0.001269 -0.000508 18H 3s 0.000022 0.000052 0.000092 0.000003 0.000184 -0.000344 18H 1pz -0.000004 -0.000005 0.000000 0.000012 -0.000121 -0.000090 18H 1px -0.000004 0.000001 -0.000006 -0.000001 -0.000170 -0.000097 18H 1py -0.000001 -0.000001 0.000004 0.000002 0.000019 0.000030 19H 1s 0.000002 -0.000002 -0.000002 -0.000002 -0.000032 -0.000063 19H 2s -0.000029 -0.000022 -0.000001 0.000096 -0.001249 -0.000505 19H 3s 0.000033 -0.000106 0.000004 0.000033 0.000156 -0.000392 19H 1pz 0.000000 -0.000000 -0.000000 -0.000020 0.000184 0.000120 19H 1px 0.000003 0.000003 -0.000004 0.000002 -0.000041 -0.000006 19H 1py 0.000001 0.000003 0.000002 0.000000 -0.000001 0.000016 20H 1s 0.000001 -0.000001 0.000003 0.000405 -0.000013 -0.000016 20H 2s -0.000011 -0.000013 0.000009 0.001782 -0.000485 0.000205 20H 3s -0.000016 0.000062 -0.000044 0.003964 -0.001868 0.000178 20H 1pz -0.000001 -0.000006 0.000006 0.000948 -0.000061 0.000015 20H 1px 0.000001 -0.000001 -0.000003 -0.000297 -0.000009 -0.000001 20H 1py -0.000005 0.000002 0.000007 0.001046 0.000087 0.000033 21H 1s 0.000000 0.000002 0.000001 0.000376 0.000023 -0.000020 21H 2s 0.000002 0.000019 0.000013 0.001531 -0.000234 0.000232 21H 3s -0.000076 -0.000046 -0.000020 0.003769 -0.001829 0.000051 21H 1pz 0.000002 -0.000004 -0.000005 -0.000639 -0.000108 -0.000013 21H 1px 0.000000 -0.000007 -0.000009 -0.001229 -0.000039 -0.000030 21H 1py -0.000002 -0.000000 0.000002 -0.000231 0.000075 0.000001 22H 1s -0.000001 0.000003 0.000002 0.000352 0.000055 -0.000001 22H 2s 0.000004 -0.000031 -0.000009 0.001082 0.000161 0.000094 22H 3s -0.000072 0.000023 0.000009 0.003585 -0.002019 0.000482 22H 1pz 0.000002 0.000002 -0.000005 -0.000828 -0.000134 -0.000032 22H 1px 0.000001 -0.000001 0.000003 0.000941 0.000030 0.000010 22H 1py -0.000001 -0.000001 0.000004 0.000440 0.000112 0.000018 23H 1s 0.000001 0.000384 -0.000000 -0.000001 0.000014 -0.000024 23H 2s 0.000005 0.001649 0.000003 -0.000009 -0.000281 0.000297 23H 3s -0.000028 0.003836 0.000010 0.000079 -0.001924 0.000134 23H 1pz -0.000001 0.000339 0.000001 -0.000004 -0.000089 -0.000000 23H 1px -0.000003 -0.000628 0.000001 0.000002 0.000012 -0.000021 23H 1py -0.000006 -0.001234 0.000003 0.000000 -0.000109 -0.000041 24H 1s 0.000002 0.000398 0.000002 0.000001 -0.000008 -0.000023 24H 2s 0.000002 0.001785 0.000011 0.000014 -0.000440 0.000276 24H 3s -0.000042 0.003949 -0.000065 -0.000008 -0.001976 0.000220 24H 1pz -0.000004 -0.000851 0.000003 -0.000005 -0.000107 -0.000038 24H 1px -0.000004 -0.000975 -0.000002 -0.000003 0.000007 -0.000023 24H 1py 0.000001 0.000645 0.000005 0.000000 -0.000044 0.000015 25H 1s 0.000001 0.000346 -0.000002 0.000003 0.000053 -0.000006 25H 2s -0.000009 0.001038 0.000003 -0.000029 0.000221 0.000135 25H 3s -0.000002 0.003599 -0.000020 0.000047 -0.001977 0.000600 25H 1pz -0.000004 -0.000672 0.000002 0.000003 -0.000148 -0.000031 25H 1px 0.000002 0.001123 -0.000001 -0.000002 0.000078 0.000024 25H 1py -0.000002 -0.000179 0.000001 0.000001 -0.000093 -0.000022 26O 1s 0.000003 -0.000000 -0.000000 0.000000 0.000149 -0.000150 26O 2s -0.000044 0.000004 0.000001 -0.000003 0.000230 -0.000285 26O 3s 0.000521 -0.000035 -0.000015 0.000029 0.000934 -0.000124 26O 4s -0.002145 0.000132 0.000043 -0.000090 -0.003734 0.001423 26O 5s 0.001329 -0.000412 -0.000512 0.000696 -0.000975 -0.006072 26O 1pz -0.000061 -0.000000 -0.000003 0.000001 -0.000129 0.000199 26O 1px -0.000041 -0.000006 -0.000003 0.000002 -0.000091 -0.000047 26O 1py -0.000064 -0.000004 0.000001 0.000007 -0.000113 0.000104 26O 2pz 0.000480 0.000006 0.000021 -0.000024 -0.001101 0.000804 26O 2px 0.000526 0.000023 0.000017 -0.000032 0.000995 0.000851 26O 2py 0.000535 0.000017 0.000014 -0.000043 -0.000311 0.000824 26O 3pz 0.000124 -0.000172 0.000096 0.000077 0.000395 -0.003633 26O 3px -0.000003 -0.000043 0.000285 -0.000232 0.002241 0.000487 26O 3py -0.000128 -0.000137 0.000046 -0.000089 0.000892 -0.002053 26O 1dz2 -0.000009 0.000002 -0.000002 -0.000002 0.000076 -0.000058 26O 1dxz 0.000034 -0.000002 -0.000003 -0.000001 0.000015 -0.000022 26O 1dyz -0.000004 0.000002 -0.000001 0.000002 0.000124 -0.000101 26O 1dx2y2 -0.000008 0.000001 -0.000001 -0.000002 -0.000037 0.000030 26O 1dxy 0.000008 0.000000 -0.000003 -0.000001 0.000013 -0.000021 26O 2dz2 0.000032 -0.000009 0.000011 0.000005 -0.000407 0.000537 26O 2dxz -0.000235 0.000003 0.000004 0.000011 -0.000117 0.000289 26O 2dyz -0.000061 -0.000011 0.000004 -0.000004 -0.000979 0.000856 26O 2dx2y2 0.000048 0.000001 0.000003 0.000009 -0.000021 -0.000336 26O 2dxy -0.000101 0.000000 0.000010 0.000010 -0.000356 0.000159 26O 1f0 0.000001 -0.000001 -0.000001 0.000004 -0.000019 0.000040 26O 1f+1 0.000022 0.000001 0.000001 -0.000002 -0.000105 0.000046 26O 1f-1 -0.000012 -0.000001 0.000000 -0.000000 -0.000252 0.000257 26O 1f+2 0.000000 0.000000 0.000001 -0.000001 0.000128 -0.000138 26O 1f-2 0.000001 0.000000 0.000003 -0.000001 -0.000101 0.000074 26O 1f+3 -0.000002 0.000001 0.000001 -0.000001 -0.000072 0.000030 26O 1f-3 0.000019 0.000001 0.000001 -0.000001 -0.000065 0.000021 27O 1s -0.000000 0.000000 0.000003 -0.000000 0.000146 -0.000147 27O 2s 0.000001 -0.000003 -0.000043 0.000004 0.000229 -0.000281 27O 3s -0.000018 0.000022 0.000515 -0.000040 0.000897 -0.000111 27O 4s 0.000061 -0.000058 -0.002123 0.000147 -0.003623 0.001338 27O 5s -0.000363 0.000799 0.001042 -0.000311 -0.001458 -0.006373 27O 1pz -0.000005 0.000002 -0.000044 -0.000001 -0.000083 0.000129 27O 1px 0.000002 0.000008 -0.000065 -0.000005 -0.000128 -0.000017 27O 1py -0.000004 -0.000006 0.000059 0.000001 0.000143 -0.000180 27O 2pz 0.000025 -0.000022 0.000279 0.000007 -0.000766 0.000419 27O 2px -0.000026 -0.000094 0.000700 0.000006 0.000964 0.001102 27O 2py 0.000006 0.000052 -0.000513 -0.000002 0.000868 -0.000903 27O 3pz 0.000060 0.000185 -0.000106 -0.000102 -0.000570 -0.002263 27O 3px 0.000137 -0.000321 -0.000002 -0.000122 0.001791 0.000296 27O 3py -0.000039 -0.000012 -0.000290 0.000155 -0.000132 0.003217 27O 1dz2 0.000000 -0.000003 -0.000000 -0.000000 -0.000016 0.000019 27O 1dxz -0.000002 0.000002 0.000015 -0.000001 0.000032 -0.000033 27O 1dyz 0.000003 0.000002 0.000019 -0.000002 -0.000103 0.000086 27O 1dx2y2 -0.000002 -0.000002 0.000001 -0.000001 -0.000068 0.000054 27O 1dxy 0.000001 0.000000 -0.000031 0.000001 -0.000056 0.000053 27O 2dz2 -0.000005 -0.000001 0.000045 -0.000003 0.000341 -0.000092 27O 2dxz 0.000001 -0.000008 -0.000117 -0.000000 -0.000153 0.000350 27O 2dyz -0.000016 -0.000005 -0.000043 0.000009 0.000872 -0.000731 27O 2dx2y2 0.000019 0.000025 -0.000006 0.000013 0.000196 -0.000573 27O 2dxy -0.000002 -0.000013 0.000250 -0.000005 0.000525 -0.000497 27O 1f0 -0.000001 0.000001 0.000015 -0.000000 0.000149 -0.000141 27O 1f+1 0.000001 0.000000 0.000013 0.000001 -0.000046 0.000005 27O 1f-1 -0.000002 -0.000002 0.000007 -0.000000 0.000038 -0.000047 27O 1f+2 0.000001 -0.000001 0.000010 0.000001 0.000132 -0.000177 27O 1f-2 -0.000001 -0.000000 -0.000004 -0.000001 0.000155 -0.000134 27O 1f+3 0.000005 0.000000 0.000018 0.000001 -0.000183 0.000117 27O 1f-3 0.000001 -0.000003 -0.000005 0.000000 0.000061 -0.000061 28O 1s 0.000003 -0.000000 -0.000000 0.000000 0.000147 0.000142 28O 2s -0.000038 0.000006 0.000003 -0.000002 0.000230 0.000273 28O 3s 0.000492 -0.000070 -0.000017 0.000024 0.000897 0.000039 28O 4s -0.002016 0.000235 0.000037 -0.000081 -0.003558 -0.001027 28O 5s -0.000569 -0.000186 -0.000809 0.000391 -0.002479 0.006196 28O 1pz -0.000076 -0.000004 -0.000008 -0.000004 -0.000174 -0.000132 28O 1px 0.000059 0.000001 0.000005 -0.000000 0.000051 -0.000118 28O 1py -0.000033 -0.000003 -0.000003 0.000004 -0.000086 -0.000124 28O 2pz 0.000783 -0.000019 0.000086 0.000017 -0.000218 -0.001237 28O 2px -0.000581 0.000040 -0.000064 -0.000020 -0.001456 0.000588 28O 2py 0.000290 0.000008 0.000036 -0.000019 -0.000712 -0.000555 28O 3pz 0.001266 -0.000224 0.000204 -0.000043 0.001306 0.002551 28O 3px 0.000180 0.000150 -0.000305 0.000102 -0.001763 0.001854 28O 3py 0.000641 -0.000098 -0.000110 -0.000063 0.000346 0.002381 28O 1dz2 0.000030 -0.000003 -0.000002 -0.000002 0.000078 0.000062 28O 1dxz -0.000024 0.000003 -0.000002 -0.000003 0.000037 0.000025 28O 1dyz -0.000004 -0.000004 -0.000001 0.000003 0.000126 0.000104 28O 1dx2y2 -0.000020 -0.000001 -0.000001 -0.000000 -0.000037 -0.000029 28O 1dxy -0.000030 0.000000 0.000003 -0.000000 0.000028 0.000020 28O 2dz2 -0.000241 0.000014 0.000002 0.000010 -0.000564 -0.000558 28O 2dxz 0.000214 -0.000034 0.000030 0.000019 0.000081 -0.000280 28O 2dyz -0.000080 0.000019 0.000001 -0.000014 -0.000995 -0.000835 28O 2dx2y2 0.000085 0.000016 -0.000006 -0.000009 -0.000017 0.000347 28O 2dxy 0.000174 -0.000004 -0.000005 -0.000002 -0.000234 -0.000116 28O 1f0 0.000019 0.000002 0.000001 -0.000002 -0.000074 -0.000020 28O 1f+1 -0.000006 0.000002 -0.000003 0.000002 -0.000067 -0.000061 28O 1f-1 0.000006 0.000002 0.000001 -0.000001 -0.000246 -0.000237 28O 1f+2 -0.000010 -0.000004 0.000001 0.000005 0.000188 0.000120 28O 1f-2 -0.000014 0.000000 -0.000001 0.000001 -0.000072 -0.000097 28O 1f+3 -0.000009 -0.000001 -0.000002 0.000002 0.000003 -0.000045 28O 1f-3 0.000012 0.000001 -0.000001 -0.000000 -0.000028 -0.000018 29O 1s -0.000000 -0.000000 0.000000 -0.000000 0.000038 -0.000039 29O 2s 0.000000 0.000001 -0.000002 0.000000 0.000051 -0.000124 29O 3s 0.000000 -0.000013 0.000020 -0.000004 0.000229 0.000627 29O 4s -0.000026 0.000066 -0.000099 0.000035 -0.001823 -0.001524 29O 5s 0.000102 -0.000206 0.000362 -0.000139 0.005683 0.002277 29O 1pz 0.000008 0.000001 0.000002 0.000003 -0.000014 0.000047 29O 1px 0.000002 0.000000 0.000001 0.000002 0.000052 -0.000135 29O 1py 0.000003 -0.000002 -0.000002 -0.000004 0.000046 -0.000030 29O 2pz -0.000038 -0.000006 -0.000020 -0.000011 -0.000137 -0.000087 29O 2px -0.000006 -0.000007 0.000007 -0.000014 0.000356 0.000225 29O 2py -0.000010 0.000008 0.000006 0.000023 -0.000219 0.000132 29O 3pz 0.000185 -0.000003 0.000022 -0.000011 0.000634 0.000497 29O 3px -0.000052 0.000093 -0.000067 0.000111 -0.002141 -0.001144 29O 3py 0.000023 0.000013 -0.000150 -0.000043 -0.001221 0.000434 29O 1dz2 0.000001 -0.000001 -0.000000 0.000001 -0.000019 0.000026 29O 1dxz 0.000003 -0.000000 0.000000 -0.000002 -0.000010 0.000029 29O 1dyz 0.000003 0.000000 -0.000000 0.000001 -0.000002 0.000006 29O 1dx2y2 -0.000002 0.000002 -0.000001 0.000002 -0.000005 -0.000031 29O 1dxy 0.000001 -0.000000 -0.000002 -0.000001 0.000016 -0.000022 29O 2dz2 -0.000003 0.000003 0.000006 -0.000002 0.000125 -0.000135 29O 2dxz -0.000010 0.000001 -0.000001 0.000005 0.000066 -0.000132 29O 2dyz -0.000012 0.000000 0.000006 -0.000002 0.000012 -0.000029 29O 2dx2y2 0.000007 -0.000007 0.000003 -0.000008 0.000043 0.000110 29O 2dxy -0.000002 0.000003 0.000004 0.000003 -0.000124 0.000130 29O 1f0 0.000001 0.000001 -0.000001 0.000000 -0.000005 -0.000004 29O 1f+1 0.000000 -0.000000 -0.000000 0.000000 -0.000008 0.000010 29O 1f-1 -0.000000 0.000001 -0.000002 0.000001 -0.000045 0.000029 29O 1f+2 -0.000000 0.000000 0.000002 -0.000000 -0.000018 0.000024 29O 1f-2 -0.000001 0.000000 -0.000001 0.000001 -0.000037 0.000028 29O 1f+3 -0.000001 -0.000001 0.000002 0.000000 -0.000012 0.000024 29O 1f-3 0.000000 0.000000 0.000001 0.000000 -0.000011 0.000013 30O 1s -0.000000 0.000000 0.000003 -0.000000 0.000152 0.000147 30O 2s 0.000003 -0.000002 -0.000038 0.000006 0.000239 0.000282 30O 3s -0.000025 0.000021 0.000492 -0.000070 0.000901 0.000080 30O 4s 0.000070 -0.000071 -0.002014 0.000235 -0.003633 -0.001229 30O 5s -0.000720 0.000502 -0.000279 -0.000265 -0.000955 0.006138 30O 1pz -0.000007 -0.000002 -0.000064 -0.000004 -0.000117 -0.000080 30O 1px 0.000002 -0.000000 0.000039 0.000001 0.000009 -0.000147 30O 1py 0.000003 -0.000002 0.000063 0.000004 0.000159 0.000154 30O 2pz 0.000050 0.000001 0.000588 -0.000005 -0.000154 -0.000879 30O 2px -0.000027 -0.000008 -0.000415 0.000032 -0.001421 0.000345 30O 2py -0.000052 0.000012 -0.000664 0.000008 0.000609 0.001146 30O 3pz 0.000131 -0.000070 0.000451 -0.000191 0.001481 0.001445 30O 3px -0.000245 0.000157 0.000296 0.000080 -0.001305 0.002295 30O 3py -0.000009 0.000210 -0.001177 0.000209 -0.001526 -0.002680 30O 1dz2 -0.000002 -0.000002 0.000015 0.000001 -0.000030 -0.000022 30O 1dxz -0.000002 -0.000002 -0.000003 0.000001 0.000041 0.000031 30O 1dyz 0.000001 -0.000003 -0.000006 0.000004 -0.000098 -0.000082 30O 1dx2y2 -0.000001 -0.000003 -0.000037 0.000002 -0.000066 -0.000050 30O 1dxy -0.000001 0.000000 0.000032 -0.000002 -0.000069 -0.000051 30O 2dz2 0.000008 0.000009 -0.000062 -0.000006 0.000308 0.000105 30O 2dxz 0.000015 0.000008 0.000050 -0.000018 -0.000081 -0.000330 30O 2dyz 0.000005 0.000012 0.000167 -0.000027 0.000975 0.000718 30O 2dx2y2 0.000009 0.000008 0.000247 -0.000003 0.000359 0.000565 30O 2dxy -0.000006 0.000002 -0.000204 0.000019 0.000342 0.000473 30O 1f0 0.000000 -0.000001 0.000006 0.000001 0.000107 0.000143 30O 1f+1 -0.000000 0.000000 0.000012 0.000001 -0.000007 -0.000001 30O 1f-1 -0.000002 0.000000 -0.000001 -0.000001 0.000050 0.000039 30O 1f+2 -0.000002 0.000003 -0.000013 -0.000002 0.000205 0.000158 30O 1f-2 -0.000000 -0.000000 0.000004 -0.000003 0.000169 0.000140 30O 1f+3 -0.000004 0.000000 -0.000008 0.000001 -0.000114 -0.000133 30O 1f-3 -0.000001 0.000002 -0.000022 -0.000003 0.000110 0.000041 31O 1s -0.000000 0.000000 0.000000 -0.000003 0.000149 -0.000150 31O 2s 0.000002 -0.000003 -0.000006 0.000038 0.000233 -0.000287 31O 3s -0.000021 0.000025 0.000066 -0.000492 0.000901 -0.000101 31O 4s 0.000071 -0.000069 -0.000221 0.002015 -0.003613 0.001310 31O 5s -0.000514 0.000730 0.000265 0.000295 -0.001101 -0.006093 31O 1pz -0.000002 -0.000007 -0.000004 -0.000064 0.000115 -0.000082 31O 1px -0.000000 0.000002 0.000001 0.000039 -0.000012 -0.000147 31O 1py -0.000002 0.000004 0.000004 0.000063 -0.000156 0.000157 31O 2pz -0.000001 0.000051 -0.000001 0.000588 0.000133 -0.000882 31O 2px -0.000006 -0.000029 0.000029 -0.000419 0.001432 0.000312 31O 2py 0.000014 -0.000055 0.000003 -0.000664 -0.000583 0.001160 31O 3pz -0.000071 0.000134 -0.000189 0.000463 -0.001462 0.001482 31O 3px 0.000164 -0.000252 0.000083 0.000300 0.001360 0.002260 31O 3py 0.000213 -0.000009 0.000202 -0.001187 0.001478 -0.002720 31O 1dz2 0.000002 0.000002 -0.000001 -0.000015 -0.000029 0.000023 31O 1dxz 0.000002 0.000002 -0.000001 0.000003 0.000040 -0.000031 31O 1dyz 0.000003 -0.000001 -0.000004 0.000007 -0.000096 0.000085 31O 1dx2y2 0.000003 0.000001 -0.000002 0.000037 -0.000065 0.000051 31O 1dxy -0.000000 0.000001 0.000001 -0.000033 -0.000067 0.000052 31O 2dz2 -0.000008 -0.000008 0.000006 0.000063 0.000307 -0.000113 31O 2dxz -0.000007 -0.000016 0.000018 -0.000051 -0.000071 0.000331 31O 2dyz -0.000011 -0.000005 0.000026 -0.000168 0.000960 -0.000740 31O 2dx2y2 -0.000008 -0.000009 0.000002 -0.000247 0.000347 -0.000573 31O 2dxy -0.000002 0.000007 -0.000018 0.000205 0.000330 -0.000480 31O 1f0 -0.000001 0.000000 0.000001 0.000006 -0.000104 0.000146 31O 1f+1 0.000000 -0.000000 0.000001 0.000012 0.000007 -0.000001 31O 1f-1 0.000000 -0.000001 -0.000001 -0.000001 -0.000048 0.000040 31O 1f+2 0.000003 -0.000002 -0.000002 -0.000014 -0.000201 0.000162 31O 1f-2 -0.000000 -0.000000 -0.000003 0.000004 -0.000166 0.000144 31O 1f+3 0.000000 -0.000004 0.000001 -0.000008 0.000112 -0.000136 31O 1f-3 0.000002 -0.000001 -0.000003 -0.000022 -0.000110 0.000044 32O 1s 0.000000 0.000000 0.000000 -0.000000 0.000039 0.000038 32O 2s -0.000001 -0.000000 -0.000000 0.000002 0.000053 0.000123 32O 3s 0.000013 -0.000000 0.000004 -0.000020 0.000215 -0.000632 32O 4s -0.000065 0.000026 -0.000034 0.000100 -0.001790 0.001563 32O 5s 0.000204 -0.000098 0.000138 -0.000362 0.005628 -0.002405 32O 1pz 0.000001 0.000008 0.000003 0.000002 0.000016 0.000047 32O 1px 0.000000 0.000002 0.000002 0.000001 -0.000054 -0.000134 32O 1py -0.000002 0.000003 -0.000004 -0.000003 -0.000046 -0.000029 32O 2pz -0.000007 -0.000039 -0.000012 -0.000019 0.000129 -0.000091 32O 2px -0.000008 -0.000006 -0.000014 0.000007 -0.000352 0.000233 32O 2py 0.000008 -0.000010 0.000023 0.000006 0.000221 0.000126 32O 3pz -0.000001 0.000185 -0.000011 0.000022 -0.000635 0.000500 32O 3px 0.000095 -0.000053 0.000111 -0.000066 0.002110 -0.001195 32O 3py 0.000012 0.000028 -0.000043 -0.000150 0.001231 0.000406 32O 1dz2 0.000001 -0.000001 -0.000001 0.000000 -0.000020 -0.000025 32O 1dxz 0.000000 -0.000003 0.000002 -0.000000 -0.000011 -0.000028 32O 1dyz -0.000000 -0.000003 -0.000001 0.000000 -0.000003 -0.000007 32O 1dx2y2 -0.000002 0.000002 -0.000002 0.000001 -0.000005 0.000031 32O 1dxy 0.000000 -0.000001 0.000001 0.000002 0.000016 0.000022 32O 2dz2 -0.000004 0.000003 0.000003 -0.000005 0.000128 0.000132 32O 2dxz -0.000001 0.000010 -0.000005 0.000001 0.000071 0.000131 32O 2dyz -0.000000 0.000011 0.000001 -0.000006 0.000019 0.000033 32O 2dx2y2 0.000007 -0.000008 0.000008 -0.000003 0.000042 -0.000110 32O 2dxy -0.000003 0.000002 -0.000003 -0.000004 -0.000125 -0.000126 32O 1f0 0.000001 0.000001 0.000000 -0.000001 0.000003 -0.000006 32O 1f+1 -0.000000 0.000000 0.000000 -0.000000 0.000007 0.000009 32O 1f-1 0.000001 -0.000000 0.000001 -0.000002 0.000046 0.000029 32O 1f+2 0.000000 -0.000000 -0.000000 0.000002 0.000017 0.000023 32O 1f-2 0.000000 -0.000001 0.000001 -0.000001 0.000038 0.000027 32O 1f+3 -0.000001 -0.000001 0.000000 0.000001 0.000014 0.000024 32O 1f-3 0.000000 0.000000 0.000000 0.000001 0.000011 0.000013 33O 1s 0.000000 -0.000003 -0.000000 0.000000 0.000144 -0.000145 33O 2s -0.000006 0.000038 0.000002 -0.000003 0.000224 -0.000278 33O 3s 0.000069 -0.000492 -0.000024 0.000017 0.000896 -0.000059 33O 4s -0.000229 0.002016 0.000082 -0.000037 -0.003533 0.001105 33O 5s 0.000189 0.000590 -0.000388 0.000819 -0.002644 -0.006148 33O 1pz -0.000004 -0.000076 -0.000004 -0.000008 0.000171 -0.000136 33O 1px 0.000001 0.000060 -0.000000 0.000005 -0.000054 -0.000117 33O 1py -0.000003 -0.000032 0.000004 -0.000003 0.000083 -0.000125 33O 2pz -0.000016 0.000784 0.000017 0.000087 0.000189 -0.001243 33O 2px 0.000038 -0.000584 -0.000021 -0.000065 0.001471 0.000557 33O 2py 0.000009 0.000289 -0.000019 0.000036 0.000698 -0.000572 33O 3pz -0.000220 0.001274 -0.000040 0.000203 -0.001255 0.002585 33O 3px 0.000149 0.000176 0.000102 -0.000308 0.001810 0.001816 33O 3py -0.000098 0.000663 -0.000064 -0.000111 -0.000298 0.002395 33O 1dz2 0.000003 -0.000030 0.000002 0.000002 0.000077 -0.000064 33O 1dxz -0.000003 0.000024 0.000003 0.000002 0.000036 -0.000026 33O 1dyz 0.000004 0.000004 -0.000003 0.000001 0.000124 -0.000107 33O 1dx2y2 0.000001 0.000020 0.000000 0.000001 -0.000037 0.000030 33O 1dxy -0.000000 0.000031 0.000000 -0.000003 0.000027 -0.000020 33O 2dz2 -0.000013 0.000240 -0.000010 -0.000002 -0.000551 0.000571 33O 2dxz 0.000033 -0.000215 -0.000019 -0.000030 0.000089 0.000278 33O 2dyz -0.000019 0.000082 0.000014 -0.000001 -0.000978 0.000857 33O 2dx2y2 -0.000016 -0.000085 0.000009 0.000007 -0.000025 -0.000347 33O 2dxy 0.000003 -0.000177 0.000002 0.000005 -0.000230 0.000121 33O 1f0 0.000002 0.000019 -0.000002 0.000001 0.000073 -0.000021 33O 1f+1 0.000002 -0.000006 0.000002 -0.000003 0.000066 -0.000062 33O 1f-1 0.000002 0.000006 -0.000001 0.000001 0.000241 -0.000242 33O 1f+2 -0.000004 -0.000010 0.000005 0.000001 -0.000185 0.000124 33O 1f-2 0.000000 -0.000015 0.000001 -0.000001 0.000070 -0.000099 33O 1f+3 -0.000001 -0.000009 0.000002 -0.000002 -0.000004 -0.000045 33O 1f-3 0.000001 0.000012 -0.000000 -0.000001 0.000028 -0.000019 34O 1s -0.000000 0.000000 0.000000 -0.000003 0.000149 0.000144 34O 2s 0.000003 -0.000001 -0.000003 0.000043 0.000235 0.000275 34O 3s -0.000022 0.000018 0.000037 -0.000516 0.000901 0.000092 34O 4s 0.000057 -0.000062 -0.000133 0.002127 -0.003661 -0.001259 34O 5s -0.000802 0.000368 0.000300 -0.001063 -0.001295 0.006411 34O 1pz 0.000002 -0.000005 -0.000001 -0.000044 0.000085 0.000127 34O 1px 0.000008 0.000001 -0.000006 -0.000064 0.000127 -0.000020 34O 1py -0.000006 -0.000004 0.000001 0.000059 -0.000147 -0.000176 34O 2pz -0.000022 0.000025 0.000009 0.000279 0.000776 0.000402 34O 2px -0.000095 -0.000025 0.000010 0.000699 -0.000939 0.001124 34O 2py 0.000052 0.000006 -0.000005 -0.000515 -0.000887 -0.000885 34O 3pz 0.000186 0.000062 -0.000103 -0.000108 0.000517 -0.002278 34O 3px -0.000326 0.000142 -0.000124 -0.000005 -0.001783 0.000337 34O 3py -0.000009 -0.000041 0.000152 -0.000278 0.000198 0.003222 34O 1dz2 0.000003 -0.000000 0.000000 0.000000 -0.000016 -0.000018 34O 1dxz -0.000002 0.000002 0.000001 -0.000015 0.000033 0.000032 34O 1dyz -0.000002 -0.000003 0.000002 -0.000019 -0.000105 -0.000083 34O 1dx2y2 0.000002 0.000002 0.000001 -0.000001 -0.000069 -0.000052 34O 1dxy -0.000000 -0.000001 -0.000001 0.000031 -0.000057 -0.000051 34O 2dz2 0.000002 0.000005 0.000003 -0.000045 0.000343 0.000084 34O 2dxz 0.000009 -0.000001 0.000001 0.000117 -0.000160 -0.000346 34O 2dyz 0.000005 0.000016 -0.000008 0.000043 0.000888 0.000711 34O 2dx2y2 -0.000025 -0.000019 -0.000013 0.000006 0.000209 0.000569 34O 2dxy 0.000013 0.000002 0.000004 -0.000248 0.000537 0.000486 34O 1f0 0.000001 -0.000001 -0.000000 0.000015 -0.000152 -0.000138 34O 1f+1 0.000000 0.000001 0.000001 0.000013 0.000046 0.000004 34O 1f-1 -0.000002 -0.000002 -0.000000 0.000007 -0.000039 -0.000046 34O 1f+2 -0.000001 0.000001 0.000001 0.000011 -0.000136 -0.000174 34O 1f-2 -0.000000 -0.000001 -0.000001 -0.000004 -0.000158 -0.000131 34O 1f+3 0.000000 0.000005 0.000002 0.000018 0.000186 0.000112 34O 1f-3 -0.000003 0.000001 0.000000 -0.000005 -0.000062 -0.000059 35O 1s 0.000000 -0.000003 -0.000000 0.000000 0.000152 0.000147 35O 2s -0.000003 0.000044 0.000003 -0.000001 0.000236 0.000280 35O 3s 0.000035 -0.000522 -0.000029 0.000015 0.000938 0.000104 35O 4s -0.000129 0.002150 0.000091 -0.000044 -0.003770 -0.001342 35O 5s 0.000404 -0.001350 -0.000686 0.000518 -0.000869 0.006075 35O 1pz -0.000001 -0.000061 0.000000 -0.000003 0.000134 0.000196 35O 1px -0.000006 -0.000041 0.000001 -0.000003 0.000089 -0.000049 35O 1py -0.000004 -0.000063 0.000007 0.000001 0.000116 0.000102 35O 2pz 0.000007 0.000483 -0.000023 0.000022 0.001118 0.000781 35O 2px 0.000023 0.000525 -0.000030 0.000017 -0.000979 0.000871 35O 2py 0.000018 0.000534 -0.000042 0.000014 0.000327 0.000817 35O 3pz -0.000171 0.000104 0.000076 0.000096 -0.000468 -0.003629 35O 3px -0.000045 -0.000011 -0.000227 0.000286 -0.002242 0.000531 35O 3py -0.000140 -0.000126 -0.000088 0.000047 -0.000937 -0.002039 35O 1dz2 -0.000002 0.000009 0.000002 0.000002 0.000077 0.000056 35O 1dxz 0.000002 -0.000034 0.000001 0.000003 0.000015 0.000022 35O 1dyz -0.000002 0.000004 -0.000002 0.000001 0.000126 0.000099 35O 1dx2y2 -0.000001 0.000009 0.000002 0.000001 -0.000038 -0.000029 35O 1dxy 0.000000 -0.000008 0.000001 0.000003 0.000013 0.000021 35O 2dz2 0.000009 -0.000032 -0.000005 -0.000011 -0.000417 -0.000527 35O 2dxz -0.000003 0.000233 -0.000011 -0.000004 -0.000123 -0.000287 35O 2dyz 0.000011 0.000061 0.000004 -0.000004 -0.001000 -0.000835 35O 2dx2y2 -0.000001 -0.000049 -0.000009 -0.000003 -0.000014 0.000336 35O 2dxy -0.000001 0.000102 -0.000009 -0.000010 -0.000361 -0.000152 35O 1f0 -0.000001 0.000001 0.000004 -0.000001 0.000020 0.000039 35O 1f+1 0.000001 0.000022 -0.000002 0.000001 0.000106 0.000043 35O 1f-1 -0.000001 -0.000012 -0.000000 0.000000 0.000258 0.000252 35O 1f+2 0.000000 -0.000000 -0.000001 0.000001 -0.000132 -0.000135 35O 1f-2 0.000000 0.000001 -0.000001 0.000003 0.000103 0.000072 35O 1f+3 0.000001 -0.000001 -0.000001 0.000001 0.000073 0.000028 35O 1f-3 0.000001 0.000019 -0.000001 0.000001 0.000066 0.000020 48 49 50 51 52 53 -1.90026 -1.89817 -1.89346 -1.87924 -1.87692 -1.87316 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s 0.000023 -0.000066 0.000449 0.000012 0.000008 0.000260 0Rh 2s -0.000080 0.000251 -0.001635 -0.000059 -0.000038 -0.001112 0Rh 3s 0.000080 -0.000222 0.001544 0.000032 0.000024 0.000801 0Rh 4s 0.000297 -0.000957 0.006128 0.000240 0.000144 0.004538 0Rh 5s -0.000150 0.000569 -0.003226 -0.000214 -0.000081 -0.004108 0Rh 6s -0.000423 0.001274 -0.008772 -0.000215 -0.000225 -0.003645 0Rh 7s -0.000163 -0.000172 0.000190 0.000245 0.000250 0.004065 0Rh 8s 0.001225 -0.000236 0.004121 0.000839 0.000403 -0.005002 0Rh 1pz 0.038582 0.033618 0.046806 -0.115867 -0.116495 -0.035220 0Rh 1px 0.037013 0.055659 -0.110882 -0.022712 -0.030495 0.121685 0Rh 1py -0.114185 -0.113625 -0.041511 -0.046512 -0.049460 0.027790 0Rh 2pz -0.126560 -0.110283 -0.153538 0.380210 0.382286 0.115577 0Rh 2px -0.121410 -0.182571 0.363708 0.074527 0.100068 -0.399309 0Rh 2py 0.374569 0.372747 0.136178 0.152632 0.162310 -0.091197 0Rh 3pz 0.089219 0.077715 0.108404 -0.269183 -0.270647 -0.081690 0Rh 3px 0.085535 0.128700 -0.256808 -0.052790 -0.070837 0.282267 0Rh 3py -0.264161 -0.262834 -0.096161 -0.108128 -0.114970 0.064529 0Rh 4pz 0.117248 0.102482 0.141262 -0.350039 -0.352310 -0.106975 0Rh 4px 0.112632 0.168859 -0.333904 -0.068492 -0.092164 0.369332 0Rh 4py -0.346892 -0.345716 -0.125535 -0.140387 -0.149467 0.084214 0Rh 5pz 0.051767 0.044785 0.064133 -0.156353 -0.157007 -0.047317 0Rh 5px 0.049508 0.075284 -0.153109 -0.030775 -0.041259 0.163765 0Rh 5py -0.152993 -0.151876 -0.056403 -0.062770 -0.066670 0.037403 0Rh 6pz 0.002536 0.001228 0.002396 -0.009809 -0.005920 -0.001573 0Rh 6px 0.003537 0.002985 -0.007040 -0.001624 -0.001362 0.006406 0Rh 6py -0.008716 -0.004718 -0.003352 -0.003868 -0.002500 0.001659 0Rh 1dz2 -0.000037 -0.000072 0.000433 0.000159 0.000017 0.000172 0Rh 1dxz 0.000066 -0.000118 0.000631 -0.000228 0.000009 0.000196 0Rh 1dyz 0.000124 0.000003 0.000131 -0.000049 -0.000038 0.000036 0Rh 1dx2y2 0.000145 0.000196 -0.000870 -0.000022 0.000023 -0.000374 0Rh 1dxy -0.000267 0.000040 -0.000358 -0.000133 -0.000017 -0.000093 0Rh 2dz2 0.000004 0.000012 -0.000013 -0.000003 -0.000019 0.000019 0Rh 2dxz 0.000002 -0.000008 0.000024 -0.000007 0.000017 -0.000018 0Rh 2dyz -0.000003 -0.000013 -0.000001 0.000002 0.000002 -0.000002 0Rh 2dx2y2 -0.000006 -0.000020 0.000003 0.000014 0.000018 -0.000018 0Rh 2dxy 0.000000 0.000020 0.000011 0.000006 0.000017 -0.000008 0Rh 3dz2 0.000064 0.000091 -0.000493 -0.000294 -0.000106 -0.000130 0Rh 3dxz -0.000136 0.000103 -0.000876 0.000473 0.000144 -0.000008 0Rh 3dyz -0.000246 -0.000085 -0.000202 0.000068 0.000057 0.000007 0Rh 3dx2y2 -0.000279 -0.000311 0.001019 0.000006 -0.000043 0.000268 0Rh 3dxy 0.000517 0.000127 0.000473 0.000226 0.000080 0.000003 0Rh 4dz2 -0.000002 0.000091 -0.000735 -0.000014 0.000172 -0.000659 0Rh 4dxz 0.000043 0.000330 -0.000938 -0.000095 -0.000363 -0.000899 0Rh 4dyz 0.000058 0.000212 -0.000100 0.000093 0.000066 -0.000220 0Rh 4dx2y2 0.000032 -0.000149 0.001567 0.000004 -0.000089 0.001321 0Rh 4dxy -0.000055 -0.000500 0.000507 0.000044 -0.000126 0.000516 0Rh 5dz2 0.000133 0.000078 -0.001276 -0.000499 0.000245 -0.000026 0Rh 5dxz -0.000265 0.000348 -0.001589 0.000948 -0.000337 -0.000038 0Rh 5dyz -0.000436 0.000165 -0.000388 0.000057 0.000047 -0.000040 0Rh 5dx2y2 -0.000524 -0.000234 0.002343 0.000129 -0.000032 0.000041 0Rh 5dxy 0.000902 -0.000501 0.000827 0.000435 -0.000146 -0.000122 0Rh 1f0 -0.000428 -0.000189 -0.001153 0.000344 0.000168 0.000567 0Rh 1f+1 -0.000212 -0.000284 0.001174 -0.000582 -0.000846 -0.000733 0Rh 1f-1 0.000790 0.000830 -0.000209 0.001520 0.001498 0.000313 0Rh 1f+2 -0.000818 -0.000883 0.000057 0.000475 0.000694 0.000480 0Rh 1f-2 -0.000209 -0.000532 0.000642 0.000827 0.000914 -0.000516 0Rh 1f+3 0.000621 0.000889 -0.000215 0.000012 -0.000065 0.001188 0Rh 1f-3 -0.000290 -0.000467 -0.001092 -0.000554 -0.000828 0.001548 1Rh 1s -0.000021 -0.000067 0.000448 -0.000012 0.000008 -0.000262 1Rh 2s 0.000073 0.000253 -0.001632 0.000060 -0.000035 0.001118 1Rh 3s -0.000074 -0.000225 0.001541 -0.000032 0.000022 -0.000807 1Rh 4s -0.000271 -0.000964 0.006113 -0.000242 0.000132 -0.004560 1Rh 5s 0.000134 0.000571 -0.003211 0.000213 -0.000070 0.004120 1Rh 6s 0.000388 0.001285 -0.008762 0.000221 -0.000216 0.003677 1Rh 7s 0.000174 -0.000162 0.000179 -0.000254 0.000240 -0.004064 1Rh 8s -0.001238 -0.000265 0.004135 -0.000816 0.000355 0.004982 1Rh 1pz 0.039860 -0.032206 -0.046947 -0.118540 0.113715 -0.035120 1Rh 1px 0.038871 -0.054363 0.111381 -0.023462 0.030005 0.121216 1Rh 1py -0.118262 0.109391 0.041448 -0.047708 0.048394 0.027674 1Rh 2pz -0.130751 0.105651 0.154001 0.388981 -0.373165 0.115246 1Rh 2px -0.127506 0.178319 -0.365344 0.076990 -0.098459 -0.397769 1Rh 2py 0.387944 -0.358856 -0.135970 0.156556 -0.158814 -0.090815 1Rh 3pz 0.092172 -0.074448 -0.108731 -0.275393 0.264190 -0.081457 1Rh 3px 0.089832 -0.125704 0.257963 -0.054534 0.069697 0.281178 1Rh 3py -0.273591 0.253036 0.096014 -0.110908 0.112494 0.064258 1Rh 4pz 0.121145 -0.098194 -0.141691 -0.358122 0.343912 -0.106673 1Rh 4px 0.118276 -0.164916 0.335422 -0.070760 0.090687 0.367923 1Rh 4py -0.359301 0.332856 0.125343 -0.144000 0.146251 0.083865 1Rh 5pz 0.053468 -0.042888 -0.064320 -0.159954 0.153255 -0.047174 1Rh 5px 0.052016 -0.073547 0.153774 -0.031791 0.040593 0.163111 1Rh 5py -0.158440 0.146199 0.056316 -0.064382 0.065232 0.037242 1Rh 6pz 0.002590 -0.001140 -0.002395 -0.009943 0.005683 -0.001556 1Rh 6px 0.003639 -0.002865 0.007077 -0.001661 0.001334 0.006379 1Rh 6py -0.008883 0.004396 0.003336 -0.003943 0.002419 0.001644 1Rh 1dz2 0.000039 -0.000071 0.000432 -0.000160 0.000014 -0.000174 1Rh 1dxz -0.000063 -0.000120 0.000631 0.000228 0.000014 -0.000198 1Rh 1dyz -0.000125 -0.000001 0.000131 0.000050 -0.000037 -0.000037 1Rh 1dx2y2 -0.000151 0.000190 -0.000869 0.000022 0.000023 0.000377 1Rh 1dxy 0.000267 0.000050 -0.000358 0.000133 -0.000013 0.000094 1Rh 2dz2 -0.000005 0.000012 -0.000013 0.000004 -0.000019 -0.000019 1Rh 2dxz -0.000001 -0.000008 0.000024 0.000007 0.000017 0.000018 1Rh 2dyz 0.000004 -0.000013 -0.000001 -0.000002 0.000002 0.000002 1Rh 2dx2y2 0.000007 -0.000020 0.000003 -0.000014 0.000017 0.000018 1Rh 2dxy -0.000001 0.000020 0.000011 -0.000006 0.000016 0.000008 1Rh 3dz2 -0.000067 0.000089 -0.000493 0.000298 -0.000100 0.000132 1Rh 3dxz 0.000134 0.000107 -0.000876 -0.000477 0.000133 0.000011 1Rh 3dyz 0.000250 -0.000076 -0.000203 -0.000070 0.000056 -0.000007 1Rh 3dx2y2 0.000289 -0.000301 0.001019 -0.000005 -0.000044 -0.000272 1Rh 3dxy -0.000523 0.000109 0.000473 -0.000229 0.000075 -0.000004 1Rh 4dz2 -0.000001 0.000091 -0.000731 0.000012 0.000172 0.000663 1Rh 4dxz -0.000053 0.000328 -0.000936 0.000104 -0.000360 0.000901 1Rh 4dyz -0.000065 0.000209 -0.000098 -0.000094 0.000064 0.000221 1Rh 4dx2y2 -0.000029 -0.000149 0.001562 -0.000003 -0.000090 -0.001327 1Rh 4dxy 0.000072 -0.000497 0.000505 -0.000040 -0.000128 -0.000518 1Rh 5dz2 -0.000135 0.000074 -0.001278 0.000497 0.000255 0.000030 1Rh 5dxz 0.000253 0.000358 -0.001592 -0.000938 -0.000361 0.000043 1Rh 5dyz 0.000431 0.000180 -0.000394 -0.000059 0.000045 0.000036 1Rh 5dx2y2 0.000530 -0.000217 0.002345 -0.000129 -0.000034 -0.000052 1Rh 5dxy -0.000884 -0.000534 0.000826 -0.000433 -0.000157 0.000117 1Rh 1f0 -0.000437 0.000174 0.001154 0.000348 -0.000160 0.000562 1Rh 1f+1 -0.000223 0.000279 -0.001178 -0.000599 0.000829 -0.000730 1Rh 1f-1 0.000819 -0.000801 0.000214 0.001556 -0.001463 0.000314 1Rh 1f+2 -0.000852 0.000854 -0.000054 0.000490 -0.000681 0.000482 1Rh 1f-2 -0.000227 0.000524 -0.000645 0.000849 -0.000895 -0.000514 1Rh 1f+3 0.000654 -0.000868 0.000221 0.000011 0.000064 0.001187 1Rh 1f-3 -0.000305 0.000453 0.001098 -0.000572 0.000814 0.001545 2C 1s -0.000001 0.000000 -0.000001 -0.000007 -0.000000 0.000000 2C 2s -0.000006 0.000000 -0.000002 -0.000027 0.000001 0.000000 2C 3s 0.000113 -0.000040 0.000238 0.000461 -0.000048 0.000022 2C 4s -0.000584 0.000232 -0.001437 -0.002508 0.000250 -0.000115 2C 5s 0.000381 0.000435 -0.002331 0.002003 0.000371 0.000190 2C 1pz 0.000012 -0.000009 0.000024 0.000054 0.000001 -0.000004 2C 1px 0.000005 0.000002 0.000009 0.000018 -0.000005 0.000006 2C 1py 0.000007 0.000001 0.000017 0.000034 -0.000006 0.000003 2C 2pz -0.000168 0.000155 -0.000629 -0.000916 0.000033 -0.000033 2C 2px -0.000080 -0.000013 -0.000163 -0.000275 0.000053 0.000063 2C 2py -0.000103 0.000026 -0.000424 -0.000603 0.000090 -0.000022 2C 3pz 0.000113 0.000007 -0.001023 0.000233 -0.000172 0.000078 2C 3px 0.000250 0.000315 -0.000099 0.000163 0.001009 -0.000300 2C 3py -0.000179 0.000257 -0.000654 0.000218 0.000202 -0.000040 2C 1dz2 -0.000012 0.000006 -0.000003 -0.000011 0.000021 -0.000005 2C 1dxz -0.000003 -0.000006 -0.000001 -0.000007 -0.000025 0.000005 2C 1dyz 0.000002 -0.000001 -0.000006 -0.000022 -0.000002 -0.000000 2C 1dx2y2 -0.000005 -0.000006 0.000000 0.000012 -0.000012 0.000001 2C 1dxy -0.000007 -0.000002 -0.000001 -0.000001 -0.000021 0.000003 2C 2dz2 -0.000001 0.000000 -0.000153 -0.000188 -0.000108 0.000033 2C 2dxz 0.000013 0.000030 -0.000046 -0.000010 0.000183 -0.000102 2C 2dyz -0.000078 0.000046 -0.000251 -0.000304 0.000021 0.000023 2C 2dx2y2 0.000013 -0.000015 0.000066 0.000029 0.000040 0.000053 2C 2dxy 0.000038 0.000043 -0.000043 -0.000057 0.000120 -0.000052 2C 1f0 -0.000010 -0.000000 -0.000008 -0.000012 -0.000007 0.000013 2C 1f+1 -0.000006 -0.000001 -0.000013 -0.000020 0.000005 -0.000005 2C 1f-1 -0.000006 0.000004 -0.000025 -0.000034 0.000004 -0.000003 2C 1f+2 0.000009 -0.000006 0.000026 0.000034 -0.000001 -0.000004 2C 1f-2 -0.000002 0.000004 -0.000012 -0.000013 0.000014 -0.000016 2C 1f+3 0.000004 0.000001 0.000007 0.000000 -0.000000 -0.000003 2C 1f-3 -0.000001 0.000001 -0.000008 -0.000016 -0.000004 0.000008 3C 1s 0.000006 0.000000 -0.000001 -0.000001 -0.000000 -0.000000 3C 2s 0.000024 -0.000000 -0.000001 -0.000005 -0.000000 -0.000001 3C 3s -0.000516 -0.000060 0.000321 0.000153 0.000022 -0.000005 3C 4s 0.002898 0.000429 -0.001908 -0.000845 -0.000155 0.000036 3C 5s -0.001502 0.000680 -0.000407 0.000202 -0.000031 -0.000221 3C 1pz -0.000027 -0.000007 0.000012 0.000004 0.000003 -0.000002 3C 1px -0.000026 0.000007 0.000016 0.000008 0.000004 0.000008 3C 1py 0.000063 0.000014 -0.000034 -0.000018 0.000001 0.000004 3C 2pz 0.000613 0.000169 -0.000442 -0.000121 -0.000066 -0.000002 3C 2px 0.000474 0.000033 -0.000386 -0.000145 -0.000062 0.000048 3C 2py -0.001195 -0.000327 0.000911 0.000342 0.000050 -0.000046 3C 3pz -0.000105 0.000441 -0.000329 -0.000323 -0.000059 0.000071 3C 3px -0.000017 -0.000750 -0.000401 0.000056 0.000322 -0.000286 3C 3py 0.000125 -0.000304 0.000536 -0.000122 0.000136 0.000047 3C 1dz2 0.000002 -0.000011 -0.000002 0.000014 0.000000 -0.000002 3C 1dxz 0.000012 0.000007 -0.000004 0.000000 0.000002 0.000002 3C 1dyz -0.000025 0.000004 0.000011 0.000003 -0.000001 0.000001 3C 1dx2y2 -0.000016 0.000017 0.000010 0.000008 -0.000002 0.000002 3C 1dxy -0.000015 -0.000033 -0.000000 0.000002 0.000009 -0.000007 3C 2dz2 -0.000110 0.000038 0.000107 -0.000020 -0.000014 0.000023 3C 2dxz 0.000099 -0.000006 -0.000103 -0.000011 0.000021 -0.000082 3C 2dyz -0.000332 -0.000166 0.000328 0.000100 0.000043 -0.000085 3C 2dx2y2 -0.000213 -0.000176 0.000176 0.000061 0.000055 -0.000038 3C 2dxy -0.000194 0.000121 0.000223 0.000061 -0.000029 0.000060 3C 1f0 -0.000020 -0.000004 0.000017 0.000003 -0.000002 -0.000000 3C 1f+1 0.000010 0.000006 -0.000007 -0.000001 0.000000 0.000007 3C 1f-1 -0.000001 -0.000006 -0.000001 -0.000008 0.000003 -0.000006 3C 1f+2 -0.000037 -0.000010 0.000041 0.000018 0.000005 -0.000009 3C 1f-2 -0.000039 -0.000004 0.000038 0.000014 -0.000001 0.000004 3C 1f+3 0.000038 0.000003 -0.000032 -0.000011 -0.000003 -0.000011 3C 1f-3 -0.000022 -0.000015 0.000015 0.000014 0.000006 -0.000020 4C 1s -0.000053 0.000011 -0.000074 -0.000255 -0.000009 0.000013 4C 2s -0.000098 0.000022 -0.000135 -0.000470 -0.000017 0.000025 4C 3s 0.000060 0.000107 -0.000533 0.000094 -0.000031 -0.000047 4C 4s 0.000180 -0.000774 0.003660 0.002034 0.000360 0.000129 4C 5s -0.001441 -0.000358 -0.001221 -0.006255 -0.000345 0.000428 4C 1pz 0.000086 -0.000050 0.000120 0.000466 -0.000134 0.000022 4C 1px 0.000019 0.000092 0.000034 0.000080 0.000446 -0.000133 4C 1py 0.000085 0.000004 0.000089 0.000310 0.000087 -0.000036 4C 2pz 0.000045 0.000082 0.000091 -0.000749 0.000546 -0.000097 4C 2px -0.000235 -0.000402 -0.000065 0.000156 -0.001155 0.000236 4C 2py -0.000363 -0.000112 0.000035 -0.000288 -0.000109 0.000030 4C 3pz -0.000576 0.000526 -0.003161 -0.002417 0.001127 -0.000167 4C 3px -0.000795 -0.000393 -0.001049 -0.000699 -0.002216 0.001035 4C 3py -0.000442 0.000126 -0.002288 -0.001771 -0.000142 0.000290 4C 1dz2 0.000013 -0.000005 -0.000039 0.000003 -0.000037 0.000009 4C 1dxz -0.000004 0.000029 -0.000060 0.000000 0.000057 -0.000023 4C 1dyz 0.000005 0.000004 0.000001 0.000034 0.000001 -0.000000 4C 1dx2y2 0.000003 -0.000005 0.000084 0.000010 0.000013 -0.000000 4C 1dxy -0.000001 -0.000004 0.000036 0.000022 0.000056 -0.000017 4C 2dz2 0.000139 0.000027 0.000236 0.000355 0.000043 -0.000037 4C 2dxz 0.000031 -0.000089 0.000053 0.000308 -0.000180 0.000071 4C 2dyz 0.000105 -0.000085 0.000492 0.000634 -0.000021 -0.000000 4C 2dx2y2 -0.000043 -0.000049 0.000063 -0.000197 0.000026 0.000021 4C 2dxy -0.000035 -0.000147 0.000161 0.000202 -0.000077 0.000075 4C 1f0 -0.000004 0.000014 -0.000038 -0.000024 -0.000035 -0.000035 4C 1f+1 -0.000028 0.000013 -0.000086 -0.000050 0.000024 0.000025 4C 1f-1 0.000014 -0.000004 0.000008 0.000013 0.000018 -0.000013 4C 1f+2 0.000018 -0.000003 0.000059 0.000019 0.000051 0.000027 4C 1f-2 0.000023 0.000008 0.000003 0.000007 0.000011 0.000032 4C 1f+3 -0.000027 0.000030 0.000013 0.000009 0.000053 0.000031 4C 1f-3 0.000029 0.000034 -0.000071 -0.000068 0.000023 0.000002 5C 1s 0.000240 0.000016 -0.000075 -0.000057 -0.000002 -0.000005 5C 2s 0.000435 0.000028 -0.000138 -0.000104 -0.000003 -0.000011 5C 3s 0.000117 0.000106 -0.000663 -0.000042 0.000046 0.000048 5C 4s -0.002645 -0.000682 0.004321 0.000704 -0.000332 -0.000127 5C 5s 0.005373 0.000028 -0.001173 -0.001126 -0.000641 0.000117 5C 1pz -0.000265 0.000110 0.000114 0.000075 -0.000026 0.000045 5C 1px -0.000153 -0.000423 -0.000017 0.000053 0.000100 -0.000125 5C 1py 0.000437 -0.000042 -0.000162 -0.000095 0.000009 -0.000031 5C 2pz 0.000406 -0.000238 -0.000164 -0.000200 -0.000049 -0.000011 5C 2px 0.000207 0.001105 0.000021 -0.000594 -0.000219 0.000161 5C 2py -0.000804 0.000019 0.000244 -0.000015 0.000139 -0.000008 5C 3pz 0.001728 -0.000297 -0.001054 -0.000043 -0.000055 -0.000488 5C 3px 0.000680 0.002123 -0.000044 -0.000719 -0.000623 0.000932 5C 3py -0.002657 -0.000240 0.001644 0.000641 0.000195 0.000408 5C 1dz2 0.000018 0.000027 -0.000045 -0.000016 0.000001 0.000007 5C 1dxz 0.000008 -0.000026 -0.000064 -0.000014 -0.000003 -0.000010 5C 1dyz 0.000026 -0.000028 -0.000014 -0.000004 0.000009 -0.000014 5C 1dx2y2 -0.000009 -0.000049 0.000078 -0.000011 0.000010 -0.000013 5C 1dxy 0.000002 0.000046 0.000047 0.000012 -0.000022 0.000021 5C 2dz2 0.000146 -0.000006 -0.000258 0.000014 0.000054 -0.000001 5C 2dxz -0.000274 -0.000011 0.000001 0.000037 0.000037 0.000036 5C 2dyz 0.000717 0.000221 -0.000686 -0.000244 0.000003 0.000043 5C 2dx2y2 0.000454 0.000199 -0.000135 -0.000208 -0.000096 0.000009 5C 2dxy 0.000447 -0.000005 -0.000270 -0.000048 -0.000088 -0.000014 5C 1f0 0.000044 0.000039 -0.000035 0.000001 -0.000016 -0.000024 5C 1f+1 0.000055 -0.000014 -0.000069 0.000032 0.000023 0.000012 5C 1f-1 0.000002 0.000000 0.000001 0.000016 0.000010 0.000017 5C 1f+2 -0.000017 -0.000046 -0.000002 -0.000027 0.000018 0.000045 5C 1f-2 -0.000039 -0.000033 0.000071 0.000032 -0.000012 -0.000016 5C 1f+3 0.000050 -0.000039 -0.000089 -0.000012 -0.000002 0.000050 5C 1f-3 -0.000068 -0.000044 0.000093 0.000048 -0.000002 0.000036 6C 1s -0.000241 0.000008 -0.000075 0.000057 -0.000000 0.000006 6C 2s -0.000436 0.000013 -0.000138 0.000104 0.000000 0.000012 6C 3s -0.000123 0.000099 -0.000658 0.000040 0.000047 -0.000047 6C 4s 0.002683 -0.000568 0.004292 -0.000699 -0.000350 0.000121 6C 5s -0.005351 -0.000161 -0.001192 0.001118 -0.000610 -0.000104 6C 1pz -0.000261 -0.000119 -0.000115 0.000075 0.000027 0.000045 6C 1px -0.000168 0.000417 0.000017 0.000056 -0.000098 -0.000125 6C 1py 0.000435 0.000057 0.000163 -0.000095 -0.000011 -0.000031 6C 2pz 0.000392 0.000247 0.000173 -0.000201 0.000045 -0.000016 6C 2px 0.000252 -0.001088 -0.000027 -0.000599 0.000201 0.000165 6C 2py -0.000796 -0.000041 -0.000256 -0.000014 -0.000139 -0.000001 6C 3pz 0.001694 0.000351 0.001068 -0.000046 0.000056 -0.000495 6C 3px 0.000750 -0.002090 0.000050 -0.000729 0.000592 0.000936 6C 3py -0.002627 0.000153 -0.001664 0.000650 -0.000177 0.000418 6C 1dz2 -0.000019 0.000026 -0.000045 0.000016 0.000001 -0.000007 6C 1dxz -0.000007 -0.000027 -0.000064 0.000014 -0.000002 0.000010 6C 1dyz -0.000025 -0.000029 -0.000013 0.000004 0.000009 0.000014 6C 1dx2y2 0.000011 -0.000049 0.000078 0.000011 0.000010 0.000013 6C 1dxy -0.000003 0.000047 0.000047 -0.000012 -0.000022 -0.000021 6C 2dz2 -0.000147 -0.000012 -0.000257 -0.000015 0.000054 0.000001 6C 2dxz 0.000271 -0.000004 0.000006 -0.000037 0.000035 -0.000038 6C 2dyz -0.000725 0.000193 -0.000685 0.000245 0.000009 -0.000041 6C 2dx2y2 -0.000458 0.000183 -0.000140 0.000210 -0.000091 -0.000007 6C 2dxy -0.000444 -0.000017 -0.000275 0.000050 -0.000087 0.000017 6C 1f0 0.000045 -0.000037 0.000034 0.000000 0.000016 -0.000024 6C 1f+1 0.000054 0.000016 0.000069 0.000032 -0.000022 0.000012 6C 1f-1 0.000002 -0.000000 -0.000001 0.000016 -0.000009 0.000017 6C 1f+2 -0.000019 0.000046 0.000002 -0.000026 -0.000019 0.000045 6C 1f-2 -0.000041 0.000031 -0.000070 0.000031 0.000013 -0.000016 6C 1f+3 0.000048 0.000040 0.000089 -0.000012 0.000001 0.000050 6C 1f-3 -0.000070 0.000041 -0.000092 0.000048 0.000004 0.000036 7C 1s 0.000053 0.000013 -0.000074 0.000255 -0.000003 -0.000013 7C 2s 0.000098 0.000026 -0.000135 0.000470 -0.000006 -0.000024 7C 3s -0.000060 0.000103 -0.000527 -0.000092 -0.000033 0.000051 7C 4s -0.000176 -0.000770 0.003627 -0.002052 0.000311 -0.000153 7C 5s 0.001476 -0.000301 -0.001227 0.006234 -0.000204 -0.000431 7C 1pz 0.000084 0.000053 -0.000120 0.000463 0.000145 0.000022 7C 1px 0.000023 -0.000091 -0.000034 0.000091 -0.000444 -0.000133 7C 1py 0.000085 -0.000001 -0.000089 0.000312 -0.000080 -0.000036 7C 2pz 0.000057 -0.000082 -0.000089 -0.000733 -0.000560 -0.000094 7C 2px -0.000246 0.000387 0.000076 0.000132 0.001154 0.000241 7C 2py -0.000361 0.000096 -0.000030 -0.000291 0.000101 0.000034 7C 3pz -0.000520 -0.000555 0.003164 -0.002383 -0.001177 -0.000184 7C 3px -0.000798 0.000364 0.001057 -0.000753 0.002191 0.001035 7C 3py -0.000412 -0.000147 0.002302 -0.001773 0.000101 0.000281 7C 1dz2 -0.000013 -0.000005 -0.000039 -0.000001 -0.000037 -0.000008 7C 1dxz 0.000003 0.000029 -0.000060 -0.000001 0.000057 0.000023 7C 1dyz -0.000005 0.000004 0.000001 -0.000034 0.000000 0.000000 7C 1dx2y2 -0.000003 -0.000005 0.000084 -0.000010 0.000013 -0.000000 7C 1dxy 0.000001 -0.000004 0.000036 -0.000023 0.000055 0.000017 7C 2dz2 -0.000136 0.000020 0.000237 -0.000354 0.000035 0.000038 7C 2dxz -0.000023 -0.000088 0.000053 -0.000303 -0.000186 -0.000072 7C 2dyz -0.000101 -0.000089 0.000492 -0.000636 -0.000036 -0.000001 7C 2dx2y2 0.000039 -0.000045 0.000058 0.000197 0.000029 -0.000024 7C 2dxy 0.000038 -0.000143 0.000157 -0.000202 -0.000081 -0.000076 7C 1f0 -0.000003 -0.000014 0.000038 -0.000025 0.000035 -0.000035 7C 1f+1 -0.000028 -0.000013 0.000085 -0.000049 -0.000025 0.000024 7C 1f-1 0.000015 0.000005 -0.000008 0.000013 -0.000018 -0.000013 7C 1f+2 0.000019 0.000004 -0.000059 0.000020 -0.000051 0.000028 7C 1f-2 0.000024 -0.000008 -0.000002 0.000007 -0.000010 0.000032 7C 1f+3 -0.000026 -0.000031 -0.000013 0.000010 -0.000053 0.000031 7C 1f-3 0.000030 -0.000032 0.000071 -0.000068 -0.000025 0.000002 8C 1s -0.000006 -0.000000 -0.000001 0.000001 0.000000 0.000000 8C 2s -0.000024 -0.000001 -0.000001 0.000005 0.000000 0.000001 8C 3s 0.000518 -0.000041 0.000322 -0.000153 0.000018 0.000003 8C 4s -0.002908 0.000322 -0.001915 0.000846 -0.000132 -0.000024 8C 5s 0.001507 0.000748 -0.000424 -0.000186 -0.000034 0.000218 8C 1pz -0.000027 0.000006 -0.000012 0.000004 -0.000003 -0.000002 8C 1px -0.000025 -0.000008 -0.000016 0.000008 -0.000004 0.000008 8C 1py 0.000063 -0.000012 0.000034 -0.000018 -0.000002 0.000004 8C 2pz 0.000617 -0.000147 0.000445 -0.000124 0.000064 -0.000005 8C 2px 0.000476 -0.000017 0.000389 -0.000148 0.000058 0.000047 8C 2py -0.001203 0.000284 -0.000914 0.000344 -0.000040 -0.000042 8C 3pz -0.000095 -0.000446 0.000331 -0.000325 0.000046 0.000070 8C 3px -0.000049 0.000748 0.000401 0.000061 -0.000317 -0.000288 8C 3py 0.000120 0.000310 -0.000540 -0.000118 -0.000139 0.000048 8C 1dz2 -0.000001 -0.000011 -0.000002 -0.000014 -0.000000 0.000002 8C 1dxz -0.000012 0.000006 -0.000004 -0.000000 0.000002 -0.000002 8C 1dyz 0.000025 0.000005 0.000011 -0.000003 -0.000001 -0.000001 8C 1dx2y2 0.000016 0.000018 0.000010 -0.000008 -0.000003 -0.000002 8C 1dxy 0.000016 -0.000033 0.000000 -0.000002 0.000008 0.000007 8C 2dz2 0.000109 0.000043 0.000107 0.000020 -0.000014 -0.000022 8C 2dxz -0.000098 -0.000010 -0.000103 0.000010 0.000021 0.000083 8C 2dyz 0.000338 -0.000154 0.000330 -0.000102 0.000040 0.000084 8C 2dx2y2 0.000219 -0.000169 0.000177 -0.000062 0.000053 0.000036 8C 2dxy 0.000188 0.000128 0.000224 -0.000061 -0.000030 -0.000062 8C 1f0 -0.000020 0.000003 -0.000017 0.000003 0.000003 -0.000000 8C 1f+1 0.000010 -0.000005 0.000007 -0.000001 -0.000000 0.000007 8C 1f-1 -0.000001 0.000006 0.000001 -0.000008 -0.000003 -0.000007 8C 1f+2 -0.000037 0.000008 -0.000041 0.000018 -0.000005 -0.000009 8C 1f-2 -0.000040 0.000003 -0.000038 0.000014 0.000001 0.000004 8C 1f+3 0.000038 -0.000002 0.000032 -0.000011 0.000003 -0.000011 8C 1f-3 -0.000023 0.000014 -0.000015 0.000014 -0.000006 -0.000020 9C 1s 0.000001 0.000000 -0.000001 0.000007 -0.000000 -0.000000 9C 2s 0.000006 0.000000 -0.000002 0.000027 0.000001 -0.000000 9C 3s -0.000109 -0.000044 0.000237 -0.000460 -0.000060 -0.000023 9C 4s 0.000565 0.000255 -0.001433 0.002503 0.000311 0.000121 9C 5s -0.000454 0.000427 -0.002345 -0.002004 0.000316 -0.000180 9C 1pz 0.000011 0.000009 -0.000024 0.000054 0.000000 -0.000004 9C 1px 0.000005 -0.000001 -0.000009 0.000017 0.000005 0.000006 9C 1py 0.000007 -0.000001 -0.000017 0.000034 0.000007 0.000002 9C 2pz -0.000157 -0.000162 0.000626 -0.000912 -0.000054 -0.000035 9C 2px -0.000080 0.000006 0.000163 -0.000273 -0.000058 0.000064 9C 2py -0.000101 -0.000030 0.000427 -0.000609 -0.000102 -0.000022 9C 3pz 0.000126 -0.000004 0.001024 0.000227 0.000180 0.000074 9C 3px 0.000263 -0.000299 0.000094 0.000187 -0.001006 -0.000303 9C 3py -0.000160 -0.000268 0.000660 0.000226 -0.000200 -0.000046 9C 1dz2 0.000012 0.000006 -0.000003 0.000011 0.000022 0.000005 9C 1dxz 0.000003 -0.000006 -0.000001 0.000007 -0.000025 -0.000005 9C 1dyz -0.000002 -0.000001 -0.000006 0.000022 -0.000002 0.000000 9C 1dx2y2 0.000005 -0.000005 0.000000 -0.000011 -0.000012 -0.000001 9C 1dxy 0.000007 -0.000002 -0.000001 0.000001 -0.000022 -0.000003 9C 2dz2 -0.000000 -0.000000 -0.000152 0.000189 -0.000104 -0.000033 9C 2dxz -0.000016 0.000029 -0.000044 0.000004 0.000181 0.000103 9C 2dyz 0.000077 0.000049 -0.000252 0.000305 0.000028 -0.000023 9C 2dx2y2 -0.000011 -0.000016 0.000067 -0.000032 0.000038 -0.000053 9C 2dxy -0.000039 0.000042 -0.000042 0.000054 0.000124 0.000051 9C 1f0 -0.000010 0.000000 0.000008 -0.000012 0.000007 0.000013 9C 1f+1 -0.000006 0.000001 0.000013 -0.000020 -0.000006 -0.000005 9C 1f-1 -0.000006 -0.000005 0.000024 -0.000034 -0.000005 -0.000003 9C 1f+2 0.000008 0.000006 -0.000026 0.000034 0.000002 -0.000004 9C 1f-2 -0.000001 -0.000004 0.000012 -0.000013 -0.000014 -0.000016 9C 1f+3 0.000004 -0.000000 -0.000007 0.000000 0.000000 -0.000004 9C 1f-3 -0.000001 -0.000001 0.000008 -0.000016 0.000004 0.000008 10H 1s 0.000007 0.000004 -0.000007 0.000025 0.000014 0.000000 10H 2s 0.000066 0.000008 0.000135 0.000058 -0.000006 -0.000169 10H 3s -0.000220 -0.000142 -0.000318 -0.000541 -0.000342 0.000186 10H 1pz 0.000015 0.000002 0.000014 0.000023 -0.000007 -0.000016 10H 1px -0.000017 -0.000006 -0.000021 -0.000037 -0.000013 0.000019 10H 1py 0.000001 0.000000 0.000006 0.000012 -0.000004 -0.000008 11H 1s -0.000000 -0.000002 -0.000014 0.000013 -0.000006 0.000000 11H 2s 0.000006 0.000025 0.000063 -0.000154 -0.000064 0.000090 11H 3s 0.000074 -0.000039 -0.000219 -0.000292 0.000197 -0.000160 11H 1pz 0.000011 0.000001 0.000011 0.000015 -0.000011 0.000010 11H 1px 0.000003 0.000002 0.000006 -0.000002 -0.000010 0.000012 11H 1py 0.000007 -0.000000 -0.000001 0.000007 0.000012 -0.000006 12H 1s 0.000006 0.000003 -0.000010 0.000018 -0.000009 -0.000002 12H 2s -0.000054 -0.000079 0.000071 -0.000117 -0.000010 0.000116 12H 3s -0.000153 0.000249 -0.000232 -0.000318 0.000178 -0.000177 12H 1pz -0.000008 0.000004 -0.000003 0.000008 0.000011 -0.000003 12H 1px -0.000001 -0.000005 0.000003 -0.000002 -0.000004 0.000011 12H 1py 0.000002 -0.000013 0.000013 0.000016 -0.000009 0.000016 13H 1s -0.000020 -0.000008 -0.000009 0.000005 0.000001 -0.000000 13H 2s 0.000010 0.000007 0.000167 0.000081 0.000036 -0.000162 13H 3s 0.000400 0.000270 -0.000358 -0.000201 -0.000207 0.000185 13H 1pz -0.000027 -0.000003 0.000029 0.000017 0.000006 -0.000019 13H 1px 0.000019 0.000012 -0.000016 -0.000017 -0.000009 0.000014 13H 1py 0.000013 -0.000009 -0.000017 -0.000014 -0.000000 0.000012 14H 1s -0.000015 0.000009 -0.000011 0.000003 0.000002 -0.000002 14H 2s 0.000036 -0.000018 0.000116 -0.000002 -0.000060 0.000120 14H 3s 0.000386 -0.000177 -0.000422 -0.000169 0.000195 -0.000132 14H 1pz -0.000022 -0.000000 0.000023 0.000009 -0.000004 0.000008 14H 1px -0.000019 0.000002 0.000020 0.000011 -0.000008 0.000016 14H 1py 0.000009 0.000012 -0.000002 0.000005 -0.000004 0.000001 15H 1s -0.000011 0.000005 -0.000019 -0.000006 -0.000003 0.000001 15H 2s 0.000116 0.000035 0.000043 0.000045 0.000026 0.000066 15H 3s 0.000315 -0.000174 -0.000309 0.000098 -0.000057 -0.000093 15H 1pz -0.000004 -0.000012 0.000001 0.000003 0.000001 -0.000008 15H 1px -0.000004 -0.000004 0.000000 0.000006 0.000002 0.000003 15H 1py 0.000017 -0.000004 -0.000016 -0.000017 -0.000005 -0.000007 16H 1s 0.000012 0.000047 -0.000217 0.000007 0.000007 0.000162 16H 2s 0.000017 -0.000201 0.001132 0.000203 0.000155 -0.000378 16H 3s -0.000104 0.000021 -0.000092 -0.001042 -0.000583 0.000125 16H 1pz -0.000001 -0.000029 0.000150 0.000006 0.000028 -0.000049 16H 1px 0.000010 0.000019 -0.000096 0.000110 0.000056 0.000025 16H 1py 0.000010 0.000015 -0.000016 0.000036 0.000028 0.000002 17H 1s 0.000009 0.000050 -0.000209 0.000017 0.000000 0.000155 17H 2s 0.000132 -0.000136 0.001144 -0.000084 -0.000021 -0.000382 17H 3s -0.000821 -0.000404 -0.000204 0.000433 0.000299 0.000095 17H 1pz -0.000054 -0.000026 -0.000067 0.000025 0.000022 0.000022 17H 1px 0.000073 0.000061 -0.000181 -0.000046 -0.000026 0.000068 17H 1py 0.000034 0.000030 0.000011 -0.000014 -0.000010 -0.000007 18H 1s -0.000011 0.000050 -0.000210 -0.000016 -0.000000 -0.000154 18H 2s -0.000120 -0.000146 0.001147 0.000080 -0.000017 0.000378 18H 3s 0.000823 -0.000369 -0.000202 -0.000461 0.000303 -0.000093 18H 1pz -0.000054 0.000024 0.000068 0.000026 -0.000022 0.000022 18H 1px 0.000075 -0.000058 0.000182 -0.000050 0.000027 0.000067 18H 1py 0.000033 -0.000029 -0.000008 -0.000014 0.000010 -0.000006 19H 1s -0.000014 0.000047 -0.000218 -0.000006 0.000006 -0.000161 19H 2s -0.000005 -0.000205 0.001137 -0.000213 0.000153 0.000376 19H 3s 0.000128 0.000010 -0.000091 0.001053 -0.000554 -0.000124 19H 1pz -0.000005 0.000030 -0.000151 0.000008 -0.000028 -0.000049 19H 1px 0.000013 -0.000020 0.000097 0.000110 -0.000053 0.000025 19H 1py 0.000011 -0.000015 0.000013 0.000038 -0.000028 0.000001 20H 1s 0.000011 0.000006 -0.000019 0.000006 -0.000003 -0.000001 20H 2s -0.000117 0.000030 0.000044 -0.000043 0.000026 -0.000068 20H 3s -0.000311 -0.000191 -0.000308 -0.000099 -0.000061 0.000096 20H 1pz -0.000005 0.000012 -0.000001 0.000004 -0.000001 -0.000008 20H 1px -0.000004 0.000003 -0.000000 0.000006 -0.000002 0.000003 20H 1py 0.000017 0.000005 0.000016 -0.000017 0.000004 -0.000008 21H 1s 0.000014 0.000010 -0.000011 -0.000003 0.000002 0.000002 21H 2s -0.000037 -0.000019 0.000115 0.000005 -0.000060 -0.000120 21H 3s -0.000378 -0.000191 -0.000419 0.000163 0.000199 0.000133 21H 1pz -0.000022 -0.000001 -0.000024 0.000009 0.000005 0.000008 21H 1px -0.000019 -0.000003 -0.000020 0.000011 0.000009 0.000016 21H 1py 0.000009 -0.000012 0.000002 0.000005 0.000004 0.000001 22H 1s 0.000021 -0.000007 -0.000009 -0.000005 0.000001 0.000000 22H 2s -0.000009 0.000006 0.000168 -0.000080 0.000032 0.000162 22H 3s -0.000410 0.000255 -0.000359 0.000201 -0.000199 -0.000182 22H 1pz -0.000027 0.000002 -0.000029 0.000017 -0.000005 -0.000019 22H 1px 0.000019 -0.000011 0.000016 -0.000017 0.000008 0.000014 22H 1py 0.000013 0.000009 0.000018 -0.000014 -0.000000 0.000012 23H 1s -0.000006 0.000002 -0.000011 -0.000017 -0.000010 0.000002 23H 2s 0.000060 -0.000077 0.000069 0.000119 -0.000009 -0.000116 23H 3s 0.000149 0.000253 -0.000229 0.000309 0.000188 0.000180 23H 1pz -0.000008 -0.000004 0.000003 0.000008 -0.000011 -0.000003 23H 1px -0.000001 0.000005 -0.000002 -0.000003 0.000004 0.000011 23H 1py 0.000001 0.000014 -0.000012 0.000015 0.000009 0.000017 24H 1s 0.000000 -0.000002 -0.000014 -0.000013 -0.000007 -0.000000 24H 2s -0.000002 0.000026 0.000063 0.000156 -0.000060 -0.000092 24H 3s -0.000068 -0.000046 -0.000216 0.000288 0.000208 0.000164 24H 1pz 0.000011 -0.000000 -0.000011 0.000015 0.000011 0.000010 24H 1px 0.000002 -0.000002 -0.000005 -0.000002 0.000010 0.000013 24H 1py 0.000007 0.000001 0.000001 0.000007 -0.000012 -0.000006 25H 1s -0.000007 0.000004 -0.000007 -0.000025 0.000014 0.000000 25H 2s -0.000065 0.000005 0.000136 -0.000059 -0.000008 0.000169 25H 3s 0.000227 -0.000129 -0.000318 0.000548 -0.000330 -0.000185 25H 1pz 0.000015 -0.000001 -0.000014 0.000024 0.000008 -0.000016 25H 1px -0.000017 0.000005 0.000021 -0.000038 0.000012 0.000019 25H 1py 0.000001 0.000000 -0.000006 0.000011 0.000005 -0.000007 26O 1s -0.000251 -0.000237 -0.000091 -0.001184 -0.001171 0.000096 26O 2s -0.000578 -0.000546 -0.000212 -0.002730 -0.002699 0.000223 26O 3s 0.000658 0.000604 0.000324 0.003163 0.003076 -0.000281 26O 4s 0.001296 0.001276 0.000093 0.006010 0.005878 -0.000171 26O 5s 0.000595 0.000920 0.000219 -0.000269 0.002128 -0.001776 26O 1pz 0.000726 0.000680 0.000287 0.002608 0.002567 -0.000275 26O 1px 0.000171 0.000268 -0.000368 0.000261 0.000418 0.000280 26O 1py 0.000118 0.000142 -0.000032 0.001810 0.001843 -0.000057 26O 2pz 0.000841 0.000810 0.000445 0.002484 0.002766 -0.000514 26O 2px 0.000285 0.000189 -0.000125 0.000674 0.000188 0.000503 26O 2py -0.000107 -0.000133 0.000100 0.001989 0.001960 -0.000114 26O 3pz -0.000504 0.000060 -0.000029 -0.000027 0.000179 -0.000244 26O 3px -0.000911 -0.000520 0.000174 -0.001068 -0.001001 0.000376 26O 3py 0.000287 -0.000028 0.000188 -0.000688 -0.000336 -0.000008 26O 1dz2 0.000072 0.000042 0.000026 0.000157 0.000146 -0.000022 26O 1dxz 0.000023 0.000034 -0.000041 0.000052 0.000077 0.000014 26O 1dyz 0.000038 0.000048 0.000009 0.000260 0.000242 -0.000015 26O 1dx2y2 -0.000002 -0.000011 0.000013 -0.000075 -0.000078 0.000008 26O 1dxy 0.000018 0.000013 -0.000021 0.000044 0.000055 0.000015 26O 2dz2 0.000266 0.000357 0.000301 0.000309 0.000375 -0.000242 26O 2dxz 0.000189 0.000206 -0.000159 0.000245 0.000171 0.000290 26O 2dyz 0.000039 -0.000009 0.000066 0.000722 0.000883 -0.000122 26O 2dx2y2 0.000183 0.000226 -0.000114 -0.000229 -0.000206 0.000017 26O 2dxy 0.000057 0.000153 -0.000236 0.000223 0.000227 0.000195 26O 1f0 0.000068 0.000070 0.000050 -0.000006 0.000006 -0.000039 26O 1f+1 0.000047 0.000056 -0.000036 0.000063 0.000059 0.000028 26O 1f-1 0.000041 0.000042 0.000034 0.000147 0.000154 -0.000045 26O 1f+2 0.000031 0.000042 -0.000011 -0.000086 -0.000096 0.000022 26O 1f-2 0.000029 0.000040 -0.000050 0.000072 0.000055 0.000050 26O 1f+3 0.000011 0.000004 -0.000028 0.000032 0.000027 0.000020 26O 1f-3 -0.000021 -0.000019 -0.000003 0.000029 0.000039 -0.000016 27O 1s 0.001112 0.001100 0.000127 -0.000260 -0.000254 0.000020 27O 2s 0.002563 0.002534 0.000287 -0.000596 -0.000584 0.000048 27O 3s -0.002962 -0.002880 -0.000200 0.000654 0.000636 -0.000104 27O 4s -0.005553 -0.005391 -0.001067 0.001426 0.001323 0.000311 27O 5s -0.000103 -0.002640 -0.000909 0.000481 0.000852 -0.001661 27O 1pz -0.001636 -0.001587 -0.000091 0.000098 0.000095 -0.000089 27O 1px -0.000734 -0.000839 -0.000534 0.000130 0.000146 0.000299 27O 1py 0.002415 0.002380 0.000264 -0.000744 -0.000725 0.000077 27O 2pz -0.001562 -0.001802 -0.000116 -0.000177 -0.000100 -0.000278 27O 2px -0.001133 -0.000687 -0.000231 0.000133 0.000075 0.000456 27O 2py 0.002309 0.002520 0.000204 -0.000916 -0.000956 0.000305 27O 3pz -0.000084 -0.000321 0.000017 0.000650 0.000218 -0.000234 27O 3px 0.000908 0.000835 0.000787 -0.000608 -0.000439 0.000196 27O 3py 0.000201 0.000277 -0.000134 0.000715 0.000147 0.000208 27O 1dz2 0.000019 0.000025 0.000006 -0.000032 -0.000008 -0.000005 27O 1dxz -0.000066 -0.000075 -0.000037 0.000010 0.000010 0.000005 27O 1dyz 0.000232 0.000210 0.000009 -0.000038 -0.000041 0.000004 27O 1dx2y2 0.000152 0.000143 0.000016 -0.000056 -0.000035 0.000008 27O 1dxy 0.000111 0.000119 0.000056 -0.000020 -0.000030 -0.000016 27O 2dz2 0.000117 0.000114 0.000199 -0.000310 -0.000415 -0.000099 27O 2dxz -0.000317 -0.000282 -0.000112 -0.000085 -0.000082 0.000181 27O 2dyz 0.000610 0.000789 -0.000009 0.000012 0.000001 0.000217 27O 2dx2y2 0.000266 0.000329 -0.000262 -0.000208 -0.000321 0.000246 27O 2dxy 0.000467 0.000466 0.000312 -0.000195 -0.000137 -0.000295 27O 1f0 0.000080 0.000079 0.000013 -0.000037 -0.000033 0.000008 27O 1f+1 -0.000029 -0.000037 -0.000005 -0.000027 -0.000028 -0.000009 27O 1f-1 0.000042 0.000055 -0.000021 0.000074 0.000083 0.000027 27O 1f+2 0.000095 0.000108 -0.000035 -0.000022 -0.000035 0.000052 27O 1f-2 0.000105 0.000100 0.000047 0.000002 0.000012 -0.000031 27O 1f+3 -0.000094 -0.000087 -0.000060 0.000040 0.000044 0.000029 27O 1f-3 0.000017 0.000041 -0.000045 -0.000044 -0.000049 0.000059 28O 1s -0.000255 0.000246 -0.000050 -0.001181 0.001106 0.000015 28O 2s -0.000591 0.000570 -0.000121 -0.002721 0.002549 0.000030 28O 3s 0.000721 -0.000692 0.000268 0.003107 -0.002896 0.000026 28O 4s 0.001199 -0.001107 -0.000316 0.006141 -0.005496 -0.000510 28O 5s -0.000230 -0.000542 0.000452 0.000294 -0.003003 0.001746 28O 1pz 0.000716 -0.000668 -0.000108 0.002472 -0.002414 -0.000152 28O 1px 0.000261 -0.000266 0.000388 0.000690 -0.000470 0.000267 28O 1py 0.000147 -0.000161 0.000145 0.001885 -0.001758 0.000015 28O 2pz 0.000820 -0.000753 0.000048 0.002498 -0.002380 -0.000126 28O 2px 0.000265 -0.000402 0.000215 0.000380 -0.000750 0.000539 28O 2py -0.000137 0.000031 0.000251 0.001895 -0.001943 0.000147 28O 3pz -0.000223 -0.000116 0.000779 -0.000581 0.000330 0.000285 28O 3px -0.000155 -0.000092 -0.000265 0.001291 -0.001242 0.000263 28O 3py 0.000699 -0.000166 0.000249 -0.000135 -0.000213 0.000281 28O 1dz2 0.000062 -0.000040 -0.000030 0.000145 -0.000148 -0.000017 28O 1dxz 0.000032 -0.000018 0.000023 0.000081 -0.000060 0.000015 28O 1dyz 0.000045 -0.000045 -0.000002 0.000254 -0.000227 -0.000011 28O 1dx2y2 0.000008 0.000011 0.000017 -0.000082 0.000078 0.000003 28O 1dxy 0.000012 -0.000022 0.000032 0.000069 -0.000041 0.000012 28O 2dz2 0.000342 -0.000378 -0.000131 0.000411 -0.000429 -0.000163 28O 2dxz 0.000128 -0.000226 0.000343 0.000007 -0.000019 0.000316 28O 2dyz 0.000005 -0.000021 0.000086 0.000761 -0.000864 0.000044 28O 2dx2y2 0.000110 -0.000183 -0.000157 -0.000186 0.000191 0.000008 28O 2dxy 0.000071 -0.000058 0.000178 0.000072 -0.000148 0.000255 28O 1f0 0.000074 -0.000073 -0.000050 0.000034 -0.000028 -0.000033 28O 1f+1 0.000043 -0.000047 0.000028 0.000036 -0.000048 0.000039 28O 1f-1 0.000046 -0.000041 -0.000011 0.000154 -0.000146 -0.000010 28O 1f+2 0.000030 -0.000035 0.000007 -0.000115 0.000115 0.000004 28O 1f-2 0.000020 -0.000038 0.000056 0.000039 -0.000042 0.000060 28O 1f+3 -0.000001 -0.000002 0.000034 0.000001 -0.000003 0.000026 28O 1f-3 -0.000026 0.000021 -0.000003 0.000023 -0.000026 -0.000007 29O 1s -0.000021 -0.000080 0.000388 -0.000029 -0.000005 -0.000420 29O 2s -0.000050 -0.000185 0.000879 -0.000067 -0.000012 -0.000946 29O 3s 0.000072 0.000205 -0.000798 0.000071 0.000023 0.000791 29O 4s 0.000058 0.000260 -0.001803 0.000145 0.000002 0.002693 29O 5s 0.000004 0.000555 -0.002205 -0.000056 -0.000060 -0.000118 29O 1pz 0.000037 0.000085 -0.000267 -0.000067 -0.000091 0.000306 29O 1px 0.000003 -0.000130 0.000833 -0.000068 -0.000024 -0.000914 29O 1py -0.000067 -0.000106 0.000160 -0.000037 -0.000031 -0.000196 29O 2pz 0.000101 0.000133 -0.000390 -0.000121 -0.000132 0.000455 29O 2px -0.000104 -0.000245 0.001235 -0.000201 -0.000083 -0.001360 29O 2py -0.000281 -0.000315 0.000474 -0.000138 -0.000095 -0.000427 29O 3pz -0.000104 0.000030 -0.000102 0.000105 -0.000009 -0.000117 29O 3px 0.000289 -0.000004 0.000697 0.000243 0.000102 0.000190 29O 3py 0.000416 0.000007 0.000944 0.000217 0.000142 -0.000226 29O 1dz2 -0.000006 -0.000005 0.000014 0.000003 0.000003 -0.000030 29O 1dxz -0.000001 -0.000003 0.000018 -0.000013 -0.000007 -0.000047 29O 1dyz 0.000006 0.000004 -0.000000 -0.000006 -0.000004 -0.000005 29O 1dx2y2 0.000011 0.000010 -0.000012 0.000001 -0.000000 0.000063 29O 1dxy -0.000004 -0.000003 -0.000005 -0.000004 -0.000003 0.000019 29O 2dz2 0.000043 0.000009 0.000161 -0.000118 -0.000110 -0.000120 29O 2dxz -0.000050 -0.000101 0.000291 0.000163 0.000169 -0.000217 29O 2dyz -0.000085 -0.000090 0.000068 0.000035 0.000027 -0.000063 29O 2dx2y2 -0.000096 0.000004 -0.000591 0.000063 0.000031 0.000380 29O 2dxy 0.000158 0.000185 -0.000136 0.000099 0.000086 0.000129 29O 1f0 -0.000004 -0.000013 0.000058 0.000014 0.000015 -0.000046 29O 1f+1 -0.000011 -0.000007 -0.000031 0.000024 0.000025 0.000023 29O 1f-1 -0.000004 -0.000008 0.000041 0.000010 0.000012 -0.000027 29O 1f+2 -0.000005 0.000007 -0.000063 -0.000018 -0.000023 0.000052 29O 1f-2 0.000024 0.000021 0.000016 -0.000011 -0.000008 -0.000005 29O 1f+3 -0.000022 -0.000008 -0.000088 0.000003 0.000000 0.000064 29O 1f-3 0.000032 0.000036 -0.000026 0.000027 0.000022 0.000024 30O 1s 0.001163 -0.001049 -0.000268 -0.000272 0.000249 -0.000065 30O 2s 0.002681 -0.002415 -0.000620 -0.000626 0.000572 -0.000151 30O 3s -0.003109 0.002722 0.000795 0.000715 -0.000640 0.000205 30O 4s -0.005793 0.005221 0.001012 0.001393 -0.001238 -0.000040 30O 5s -0.000292 0.002389 -0.000564 -0.000572 -0.000056 0.001815 30O 1pz -0.001582 0.001519 0.000191 0.000071 -0.000085 -0.000022 30O 1px -0.001174 0.000842 0.000622 0.000234 -0.000157 0.000355 30O 1py 0.002452 -0.002284 -0.000432 -0.000755 0.000709 -0.000040 30O 2pz -0.001770 0.001552 0.000417 -0.000112 0.000094 0.000029 30O 2px -0.000780 0.001161 0.000461 0.000072 -0.000152 0.000676 30O 2py 0.002488 -0.002301 -0.000697 -0.001030 0.000959 -0.000162 30O 3pz 0.000747 -0.000253 0.000020 0.000781 -0.000178 0.000031 30O 3px -0.001094 0.000998 -0.000325 0.000025 0.000013 0.000401 30O 3py -0.000419 0.000053 -0.000136 0.000309 0.000018 -0.000224 30O 1dz2 0.000036 -0.000017 -0.000027 -0.000033 0.000013 -0.000006 30O 1dxz -0.000089 0.000065 0.000022 -0.000002 -0.000016 0.000010 30O 1dyz 0.000227 -0.000204 -0.000032 -0.000035 0.000044 0.000005 30O 1dx2y2 0.000136 -0.000148 0.000008 -0.000044 0.000033 0.000006 30O 1dxy 0.000153 -0.000110 -0.000056 -0.000041 0.000023 -0.000018 30O 2dz2 0.000032 -0.000088 -0.000074 -0.000306 0.000365 -0.000140 30O 2dxz -0.000172 0.000174 0.000292 -0.000013 0.000122 0.000210 30O 2dyz 0.000724 -0.000817 -0.000016 -0.000012 -0.000011 0.000045 30O 2dx2y2 0.000405 -0.000353 -0.000056 -0.000321 0.000362 0.000169 30O 2dxy 0.000252 -0.000276 -0.000418 -0.000104 0.000134 -0.000379 30O 1f0 0.000068 -0.000057 -0.000030 -0.000034 0.000031 -0.000013 30O 1f+1 -0.000016 0.000018 -0.000005 -0.000038 0.000031 -0.000008 30O 1f-1 0.000062 -0.000060 0.000020 0.000071 -0.000083 0.000022 30O 1f+2 0.000133 -0.000123 0.000021 -0.000032 0.000036 0.000029 30O 1f-2 0.000090 -0.000093 -0.000055 0.000011 -0.000011 -0.000055 30O 1f+3 -0.000064 0.000064 0.000064 0.000042 -0.000038 0.000050 30O 1f-3 0.000051 -0.000052 0.000046 -0.000047 0.000049 0.000045 31O 1s -0.001124 -0.001091 -0.000269 0.000266 0.000255 0.000065 31O 2s -0.002592 -0.002511 -0.000622 0.000612 0.000586 0.000152 31O 3s 0.003009 0.002835 0.000795 -0.000701 -0.000657 -0.000205 31O 4s 0.005600 0.005426 0.001026 -0.001363 -0.001271 0.000037 31O 5s 0.000172 0.002376 -0.000541 0.000572 -0.000038 -0.001825 31O 1pz -0.001525 -0.001575 -0.000193 0.000069 0.000086 -0.000022 31O 1px -0.001142 -0.000885 -0.000622 0.000230 0.000163 0.000357 31O 1py 0.002369 0.002373 0.000435 -0.000738 -0.000727 -0.000040 31O 2pz -0.001713 -0.001616 -0.000417 -0.000111 -0.000097 0.000029 31O 2px -0.000735 -0.001187 -0.000463 0.000069 0.000154 0.000679 31O 2py 0.002406 0.002393 0.000697 -0.001008 -0.000983 -0.000162 31O 3pz 0.000729 0.000271 -0.000006 0.000780 0.000200 0.000025 31O 3px -0.001043 -0.001026 0.000310 0.000022 -0.000014 0.000406 31O 3py -0.000410 -0.000057 0.000121 0.000308 -0.000015 -0.000218 31O 1dz2 -0.000035 -0.000018 -0.000027 0.000033 0.000014 0.000006 31O 1dxz 0.000087 0.000068 0.000022 0.000002 -0.000016 -0.000010 31O 1dyz -0.000219 -0.000213 -0.000032 0.000034 0.000045 -0.000005 31O 1dx2y2 -0.000131 -0.000153 0.000008 0.000044 0.000034 -0.000006 31O 1dxy -0.000149 -0.000115 -0.000056 0.000041 0.000024 0.000019 31O 2dz2 -0.000030 -0.000089 -0.000074 0.000298 0.000372 0.000141 31O 2dxz 0.000167 0.000182 0.000289 0.000010 0.000122 -0.000210 31O 2dyz -0.000694 -0.000841 -0.000019 0.000011 -0.000012 -0.000044 31O 2dx2y2 -0.000393 -0.000368 -0.000057 0.000313 0.000370 -0.000169 31O 2dxy -0.000243 -0.000286 -0.000416 0.000101 0.000137 0.000380 31O 1f0 0.000066 0.000060 0.000030 -0.000034 -0.000032 -0.000013 31O 1f+1 -0.000016 -0.000018 0.000005 -0.000037 -0.000032 -0.000008 31O 1f-1 0.000059 0.000062 -0.000020 0.000069 0.000085 0.000022 31O 1f+2 0.000129 0.000128 -0.000020 -0.000031 -0.000036 0.000029 31O 1f-2 0.000086 0.000096 0.000055 0.000011 0.000012 -0.000055 31O 1f+3 -0.000062 -0.000066 -0.000064 0.000041 0.000039 0.000050 31O 1f-3 0.000049 0.000054 -0.000046 -0.000045 -0.000050 0.000045 32O 1s 0.000024 -0.000080 0.000390 0.000029 -0.000004 0.000419 32O 2s 0.000056 -0.000183 0.000884 0.000066 -0.000009 0.000944 32O 3s -0.000079 0.000203 -0.000801 -0.000069 0.000019 -0.000788 32O 4s -0.000062 0.000257 -0.001815 -0.000146 -0.000003 -0.002687 32O 5s -0.000039 0.000564 -0.002208 0.000075 -0.000066 0.000124 32O 1pz 0.000040 -0.000084 0.000269 -0.000070 0.000090 0.000306 32O 1px -0.000001 0.000131 -0.000837 -0.000068 0.000022 -0.000911 32O 1py -0.000070 0.000104 -0.000162 -0.000038 0.000031 -0.000197 32O 2pz 0.000106 -0.000132 0.000398 -0.000124 0.000130 0.000457 32O 2px -0.000110 0.000241 -0.001238 -0.000200 0.000076 -0.001354 32O 2py -0.000295 0.000306 -0.000478 -0.000136 0.000089 -0.000426 32O 3pz -0.000112 -0.000030 0.000116 0.000104 0.000012 -0.000114 32O 3px 0.000290 0.000012 -0.000690 0.000238 -0.000090 0.000195 32O 3py 0.000417 0.000010 -0.000949 0.000219 -0.000136 -0.000224 32O 1dz2 0.000006 -0.000005 0.000014 -0.000004 0.000003 0.000030 32O 1dxz 0.000001 -0.000004 0.000019 0.000013 -0.000007 0.000047 32O 1dyz -0.000005 0.000004 0.000000 0.000006 -0.000004 0.000005 32O 1dx2y2 -0.000011 0.000009 -0.000013 -0.000001 -0.000000 -0.000063 32O 1dxy 0.000004 -0.000002 -0.000005 0.000004 -0.000003 -0.000019 32O 2dz2 -0.000046 0.000008 0.000161 0.000123 -0.000109 0.000119 32O 2dxz 0.000052 -0.000098 0.000291 -0.000166 0.000165 0.000216 32O 2dyz 0.000087 -0.000085 0.000063 -0.000036 0.000027 0.000059 32O 2dx2y2 0.000097 0.000008 -0.000592 -0.000062 0.000029 -0.000377 32O 2dxy -0.000163 0.000179 -0.000139 -0.000103 0.000084 -0.000130 32O 1f0 -0.000004 0.000012 -0.000055 0.000014 -0.000014 -0.000044 32O 1f+1 -0.000011 0.000006 0.000033 0.000025 -0.000025 0.000024 32O 1f-1 -0.000005 0.000008 -0.000042 0.000011 -0.000012 -0.000028 32O 1f+2 -0.000005 -0.000008 0.000065 -0.000019 0.000023 0.000053 32O 1f-2 0.000025 -0.000020 -0.000016 -0.000012 0.000008 -0.000005 32O 1f+3 -0.000022 0.000007 0.000087 0.000002 0.000000 0.000063 32O 1f-3 0.000034 -0.000035 0.000026 0.000027 -0.000022 0.000024 33O 1s 0.000246 0.000255 -0.000049 0.001154 0.001133 -0.000015 33O 2s 0.000571 0.000591 -0.000120 0.002660 0.002611 -0.000030 33O 3s -0.000696 -0.000719 0.000265 -0.003037 -0.002967 -0.000027 33O 4s -0.001161 -0.001150 -0.000316 -0.006007 -0.005635 0.000512 33O 5s 0.000277 -0.000534 0.000451 -0.000219 -0.003000 -0.001742 33O 1pz 0.000692 0.000694 0.000109 0.002413 0.002470 -0.000153 33O 1px 0.000252 0.000275 -0.000386 0.000678 0.000485 0.000269 33O 1py 0.000142 0.000167 -0.000144 0.001843 0.001801 0.000015 33O 2pz 0.000796 0.000785 -0.000045 0.002440 0.002437 -0.000126 33O 2px 0.000248 0.000410 -0.000212 0.000362 0.000758 0.000539 33O 2py -0.000134 -0.000036 -0.000249 0.001849 0.001986 0.000147 33O 3pz -0.000228 0.000103 -0.000773 -0.000565 -0.000334 0.000287 33O 3px -0.000165 0.000089 0.000262 0.001258 0.001268 0.000262 33O 3py 0.000690 0.000190 -0.000245 -0.000141 0.000211 0.000280 33O 1dz2 -0.000060 -0.000042 -0.000030 -0.000141 -0.000152 0.000017 33O 1dxz -0.000032 -0.000020 0.000022 -0.000080 -0.000062 -0.000015 33O 1dyz -0.000044 -0.000047 -0.000002 -0.000249 -0.000233 0.000011 33O 1dx2y2 -0.000008 0.000011 0.000017 0.000080 0.000080 -0.000003 33O 1dxy -0.000011 -0.000022 0.000032 -0.000068 -0.000042 -0.000012 33O 2dz2 -0.000328 -0.000390 -0.000130 -0.000400 -0.000437 0.000163 33O 2dxz -0.000121 -0.000230 0.000341 -0.000007 -0.000020 -0.000318 33O 2dyz -0.000004 -0.000022 0.000085 -0.000740 -0.000882 -0.000044 33O 2dx2y2 -0.000103 -0.000187 -0.000156 0.000182 0.000195 -0.000007 33O 2dxy -0.000070 -0.000060 0.000177 -0.000068 -0.000149 -0.000256 33O 1f0 0.000071 0.000076 0.000050 0.000033 0.000029 -0.000034 33O 1f+1 0.000041 0.000049 -0.000028 0.000035 0.000048 0.000039 33O 1f-1 0.000044 0.000043 0.000011 0.000151 0.000150 -0.000010 33O 1f+2 0.000028 0.000036 -0.000007 -0.000112 -0.000118 0.000004 33O 1f-2 0.000018 0.000039 -0.000055 0.000038 0.000043 0.000060 33O 1f+3 -0.000001 0.000002 -0.000034 0.000001 0.000003 0.000026 33O 1f-3 -0.000025 -0.000022 0.000003 0.000022 0.000026 -0.000007 34O 1s -0.001151 0.001059 0.000126 0.000265 -0.000248 -0.000019 34O 2s -0.002653 0.002439 0.000284 0.000609 -0.000569 -0.000048 34O 3s 0.003064 -0.002771 -0.000197 -0.000668 0.000620 0.000103 34O 4s 0.005747 -0.005186 -0.001057 -0.001452 0.001287 -0.000310 34O 5s 0.000181 -0.002634 -0.000898 -0.000505 0.000833 0.001658 34O 1pz -0.001692 0.001527 0.000088 0.000099 -0.000092 -0.000089 34O 1px -0.000765 0.000812 0.000534 0.000133 -0.000143 0.000298 34O 1py 0.002499 -0.002291 -0.000261 -0.000760 0.000706 0.000076 34O 2pz -0.001627 0.001744 0.000113 -0.000180 0.000097 -0.000277 34O 2px -0.001158 0.000645 0.000232 0.000133 -0.000071 0.000456 34O 2py 0.002400 -0.002435 -0.000201 -0.000937 0.000933 0.000304 34O 3pz -0.000093 0.000319 -0.000017 0.000660 -0.000206 -0.000233 34O 3px 0.000932 -0.000799 -0.000776 -0.000609 0.000416 0.000201 34O 3py 0.000206 -0.000271 0.000131 0.000714 -0.000127 0.000202 34O 1dz2 -0.000020 0.000024 0.000006 0.000032 -0.000007 0.000005 34O 1dxz 0.000068 -0.000072 -0.000037 -0.000010 0.000010 -0.000005 34O 1dyz -0.000240 0.000201 0.000008 0.000039 -0.000040 -0.000004 34O 1dx2y2 -0.000157 0.000137 0.000015 0.000056 -0.000034 -0.000008 34O 1dxy -0.000115 0.000115 0.000055 0.000021 -0.000030 0.000016 34O 2dz2 -0.000121 0.000110 0.000199 0.000320 -0.000407 0.000099 34O 2dxz 0.000327 -0.000270 -0.000113 0.000087 -0.000080 -0.000181 34O 2dyz -0.000638 0.000767 -0.000010 -0.000012 0.000001 -0.000216 34O 2dx2y2 -0.000277 0.000319 -0.000262 0.000216 -0.000317 -0.000244 34O 2dxy -0.000484 0.000449 0.000312 0.000198 -0.000133 0.000295 34O 1f0 0.000083 -0.000076 -0.000013 -0.000037 0.000032 0.000008 34O 1f+1 -0.000030 0.000036 0.000005 -0.000028 0.000028 -0.000009 34O 1f-1 0.000044 -0.000053 0.000021 0.000076 -0.000082 0.000027 34O 1f+2 0.000098 -0.000105 0.000036 -0.000023 0.000035 0.000052 34O 1f-2 0.000109 -0.000096 -0.000047 0.000002 -0.000012 -0.000031 34O 1f+3 -0.000097 0.000084 0.000060 0.000041 -0.000043 0.000028 34O 1f-3 0.000018 -0.000041 0.000046 -0.000045 0.000048 0.000059 35O 1s 0.000260 -0.000228 -0.000090 0.001212 -0.001144 -0.000095 35O 2s 0.000598 -0.000526 -0.000210 0.002794 -0.002636 -0.000221 35O 3s -0.000682 0.000582 0.000321 -0.003237 0.003003 0.000278 35O 4s -0.001343 0.001227 0.000093 -0.006148 0.005738 0.000169 35O 5s -0.000599 0.000888 0.000255 0.000229 0.002131 0.001787 35O 1pz 0.000752 -0.000654 -0.000286 0.002669 -0.002506 -0.000273 35O 1px 0.000180 -0.000262 0.000369 0.000270 -0.000411 0.000279 35O 1py 0.000124 -0.000139 0.000033 0.001855 -0.001803 -0.000056 35O 2pz 0.000872 -0.000781 -0.000445 0.002550 -0.002708 -0.000512 35O 2px 0.000295 -0.000181 0.000131 0.000677 -0.000171 0.000504 35O 2py -0.000109 0.000127 -0.000098 0.002039 -0.001915 -0.000112 35O 3pz -0.000504 -0.000076 0.000028 -0.000024 -0.000181 -0.000242 35O 3px -0.000918 0.000481 -0.000159 -0.001081 0.000970 0.000383 35O 3py 0.000289 0.000038 -0.000183 -0.000696 0.000317 -0.000003 35O 1dz2 -0.000074 0.000039 0.000026 -0.000161 0.000142 0.000021 35O 1dxz -0.000024 0.000033 -0.000041 -0.000053 0.000075 -0.000014 35O 1dyz -0.000040 0.000047 0.000009 -0.000266 0.000236 0.000014 35O 1dx2y2 0.000002 -0.000011 0.000012 0.000077 -0.000077 -0.000008 35O 1dxy -0.000018 0.000012 -0.000021 -0.000045 0.000054 -0.000015 35O 2dz2 -0.000280 0.000349 0.000301 -0.000318 0.000368 0.000240 35O 2dxz -0.000196 0.000199 -0.000159 -0.000249 0.000165 -0.000290 35O 2dyz -0.000039 -0.000010 0.000067 -0.000744 0.000867 0.000121 35O 2dx2y2 -0.000189 0.000219 -0.000113 0.000236 -0.000202 -0.000015 35O 2dxy -0.000061 0.000151 -0.000235 -0.000228 0.000222 -0.000194 35O 1f0 0.000070 -0.000067 -0.000050 -0.000006 -0.000006 -0.000039 35O 1f+1 0.000049 -0.000054 0.000036 0.000064 -0.000058 0.000028 35O 1f-1 0.000042 -0.000040 -0.000034 0.000151 -0.000151 -0.000044 35O 1f+2 0.000032 -0.000041 0.000011 -0.000088 0.000095 0.000022 35O 1f-2 0.000030 -0.000039 0.000050 0.000074 -0.000053 0.000049 35O 1f+3 0.000012 -0.000004 0.000029 0.000032 -0.000026 0.000020 35O 1f-3 -0.000022 0.000019 0.000002 0.000030 -0.000038 -0.000016 54 55 56 57 58 59 -1.05792 -1.05305 -1.05252 -1.05208 -1.00625 -1.00620 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s 0.001695 -0.000008 -0.000133 0.000005 0.000652 0.000197 0Rh 2s -0.006597 0.000036 0.000514 -0.000023 -0.002380 -0.000843 0Rh 3s 0.005653 -0.000024 -0.000447 0.000013 0.002273 0.000610 0Rh 4s 0.026919 -0.000151 -0.002090 0.000096 0.009646 0.003499 0Rh 5s -0.020261 0.000149 0.001484 -0.000109 -0.006131 -0.003221 0Rh 6s -0.034717 0.000085 0.002958 -0.000007 -0.016318 -0.002543 0Rh 7s 0.027055 -0.000010 -0.002461 0.000132 0.024537 -0.000435 0Rh 8s 0.004178 0.000386 0.000014 -0.001025 0.007713 -0.003643 0Rh 1pz -0.000429 0.003796 -0.000566 0.006386 0.001225 0.000438 0Rh 1px 0.001706 0.002375 -0.000284 0.001226 -0.003589 -0.001207 0Rh 1py 0.000382 -0.006299 -0.000313 0.004263 -0.000405 -0.000046 0Rh 2pz 0.001439 -0.012659 0.001888 -0.021295 -0.004082 -0.001453 0Rh 2px -0.005717 -0.007919 0.000950 -0.004088 0.011960 0.003997 0Rh 2py -0.001281 0.021008 0.001043 -0.014216 0.001349 0.000147 0Rh 3pz -0.001221 0.009377 -0.001410 0.015770 0.002910 0.000896 0Rh 3px 0.004740 0.005849 -0.000743 0.003034 -0.008567 -0.002416 0Rh 3py 0.001058 -0.015540 -0.000786 0.010529 -0.000952 -0.000028 0Rh 4pz -0.001162 0.015056 -0.002202 0.025235 0.005255 0.002306 0Rh 4px 0.004986 0.009491 -0.000986 0.004814 -0.015279 -0.006506 0Rh 4py 0.001146 -0.025134 -0.001197 0.016886 -0.001796 -0.000425 0Rh 5pz -0.001028 0.000406 -0.000092 0.000831 -0.000249 -0.000432 0Rh 5px 0.003398 0.000159 -0.000283 0.000179 0.000655 0.001339 0Rh 5py 0.000648 -0.000500 -0.000092 0.000526 0.000429 0.000224 0Rh 6pz 0.003866 0.001320 -0.000348 0.002846 0.002981 -0.004642 0Rh 6px -0.010141 0.001378 0.000671 0.000427 -0.012347 0.013626 0Rh 6py -0.001264 -0.002017 0.000151 0.001210 -0.008012 0.000501 0Rh 1dz2 -0.001202 0.000480 0.002819 0.000880 0.001064 0.000576 0Rh 1dxz -0.001970 -0.000632 -0.000005 -0.001252 0.001686 0.000862 0Rh 1dyz 0.000256 -0.000502 0.006850 0.000452 0.000147 0.000102 0Rh 1dx2y2 0.003012 -0.000753 0.000845 -0.000024 -0.002461 -0.001274 0Rh 1dxy 0.001357 0.001294 0.002647 -0.000782 -0.000521 -0.000342 0Rh 2dz2 0.000019 0.000001 -0.000032 -0.000002 0.000053 -0.000005 0Rh 2dxz 0.000030 0.000000 -0.000004 -0.000002 0.000074 -0.000003 0Rh 2dyz -0.000007 -0.000004 -0.000086 -0.000002 0.000006 -0.000004 0Rh 2dx2y2 -0.000048 -0.000006 -0.000014 0.000002 -0.000110 0.000005 0Rh 2dxy -0.000019 0.000007 -0.000034 -0.000005 -0.000022 0.000014 0Rh 3dz2 0.001497 -0.000625 -0.003530 -0.001132 -0.001612 -0.000740 0Rh 3dxz 0.002445 0.000821 0.000029 0.001635 -0.002535 -0.001131 0Rh 3dyz -0.000298 0.000665 -0.008560 -0.000583 -0.000211 -0.000115 0Rh 3dx2y2 -0.003711 0.000997 -0.001056 0.000023 0.003706 0.001666 0Rh 3dxy -0.001682 -0.001706 -0.003311 0.001034 0.000787 0.000401 0Rh 4dz2 0.002487 -0.000939 -0.005780 -0.001740 -0.001338 -0.001180 0Rh 4dxz 0.004080 0.001241 -0.000016 0.002425 -0.002230 -0.001709 0Rh 4dyz -0.000575 0.000971 -0.014150 -0.000884 -0.000163 -0.000236 0Rh 4dx2y2 -0.006270 0.001446 -0.001806 0.000066 0.003257 0.002548 0Rh 4dxy -0.002786 -0.002498 -0.005498 0.001504 0.000669 0.000826 0Rh 5dz2 0.002228 -0.001009 -0.005029 -0.001804 -0.005036 -0.000360 0Rh 5dxz 0.003861 0.001314 -0.000002 0.002618 -0.007441 -0.000753 0Rh 5dyz -0.000483 0.001010 -0.011876 -0.001012 -0.000938 0.000005 0Rh 5dx2y2 -0.006050 0.001591 -0.001201 -0.000021 0.010826 0.001005 0Rh 5dxy -0.002835 -0.002736 -0.004451 0.001605 0.002533 -0.000243 0Rh 1f0 0.000292 0.001236 -0.000272 -0.000224 0.000471 0.000208 0Rh 1f+1 -0.000239 0.000024 0.000383 -0.000318 -0.000320 -0.000157 0Rh 1f-1 -0.000107 0.000389 -0.000184 -0.002178 -0.000064 -0.000051 0Rh 1f+2 -0.000407 0.001366 -0.000304 0.001058 -0.000708 -0.000320 0Rh 1f-2 -0.000104 0.001162 0.000800 -0.000690 -0.000148 -0.000090 0Rh 1f+3 -0.000482 -0.001021 0.000001 -0.000347 -0.000848 -0.000376 0Rh 1f-3 -0.000313 0.000418 -0.000414 -0.000106 -0.000296 -0.000151 1Rh 1s 0.001695 -0.000003 -0.000131 -0.000041 -0.000292 0.000616 1Rh 2s -0.006599 0.000007 0.000503 0.000162 0.000974 -0.002331 1Rh 3s 0.005654 -0.000013 -0.000439 -0.000133 -0.001076 0.002095 1Rh 4s 0.026925 -0.000023 -0.002047 -0.000662 -0.003890 0.009502 1Rh 5s -0.020266 -0.000019 0.001448 0.000521 0.001732 -0.006707 1Rh 6s -0.034723 0.000144 0.002913 0.000782 0.009084 -0.013815 1Rh 7s 0.027056 -0.000168 -0.002402 -0.000766 -0.016841 0.017915 1Rh 8s 0.004194 -0.000413 -0.000090 0.000976 -0.007870 0.003260 1Rh 1pz 0.000509 0.003796 -0.000459 0.006393 0.000495 -0.001197 1Rh 1px -0.001683 0.002386 0.000042 0.001267 -0.001518 0.003474 1Rh 1py -0.000370 -0.006295 -0.000150 0.004282 -0.000239 0.000333 1Rh 2pz -0.001705 -0.012658 0.001530 -0.021317 -0.001654 0.003982 1Rh 2px 0.005640 -0.007959 -0.000142 -0.004225 0.005078 -0.011559 1Rh 2py 0.001239 0.020993 0.000499 -0.014280 0.000801 -0.001105 1Rh 3pz 0.001419 0.009376 -0.001121 0.015787 0.001282 -0.002749 1Rh 3px -0.004683 0.005882 0.000143 0.003147 -0.003968 0.007980 1Rh 3py -0.001027 -0.015529 -0.000357 0.010580 -0.000621 0.000729 1Rh 4pz 0.001475 0.015058 -0.001848 0.025260 0.001804 -0.005409 1Rh 4px -0.004896 0.009527 0.000035 0.004939 -0.005450 0.015704 1Rh 4py -0.001097 -0.025121 -0.000629 0.016953 -0.000897 0.001623 1Rh 5pz 0.001044 0.000400 -0.000041 0.000828 0.000158 0.000457 1Rh 5px -0.003393 0.000178 0.000245 0.000251 -0.000554 -0.001380 1Rh 5py -0.000645 -0.000493 0.000027 0.000540 0.000124 -0.000465 1Rh 6pz -0.003860 0.001337 -0.000108 0.002916 0.005308 0.001078 1Rh 6px 0.010146 0.001316 -0.000729 0.000234 -0.018402 -0.000027 1Rh 6py 0.001278 -0.002012 -0.000296 0.001185 -0.005741 0.005544 1Rh 1dz2 -0.001212 -0.000405 0.002927 -0.000452 -0.000290 0.001181 1Rh 1dxz -0.001956 0.000638 -0.000203 0.001254 -0.000492 0.001822 1Rh 1dyz 0.000257 0.000671 0.006833 0.000545 -0.000023 0.000176 1Rh 1dx2y2 0.003018 0.000759 0.000815 0.000112 0.000711 -0.002683 1Rh 1dxy 0.001360 -0.001236 0.002540 0.001147 0.000097 -0.000619 1Rh 2dz2 0.000019 -0.000002 -0.000032 -0.000003 -0.000039 0.000036 1Rh 2dxz 0.000030 -0.000000 -0.000004 0.000001 -0.000052 0.000054 1Rh 2dyz -0.000007 0.000002 -0.000086 -0.000011 -0.000007 0.000002 1Rh 2dx2y2 -0.000048 0.000006 -0.000014 -0.000004 0.000077 -0.000078 1Rh 2dxy -0.000019 -0.000008 -0.000034 0.000000 0.000025 -0.000007 1Rh 3dz2 0.001510 0.000532 -0.003671 0.000595 0.000539 -0.001699 1Rh 3dxz 0.002427 -0.000828 0.000287 -0.001634 0.000862 -0.002631 1Rh 3dyz -0.000299 -0.000877 -0.008541 -0.000665 0.000056 -0.000231 1Rh 3dx2y2 -0.003718 -0.001005 -0.001017 -0.000134 -0.001258 0.003872 1Rh 3dxy -0.001686 0.001635 -0.003170 -0.001490 -0.000233 0.000857 1Rh 4dz2 0.002507 0.000784 -0.005993 0.000862 0.000027 -0.001793 1Rh 4dxz 0.004053 -0.001256 0.000367 -0.002436 0.000231 -0.002785 1Rh 4dyz -0.000577 -0.001320 -0.014110 -0.001175 -0.000066 -0.000276 1Rh 4dx2y2 -0.006281 -0.001460 -0.001741 -0.000258 -0.000302 0.004129 1Rh 4dxy -0.002793 0.002378 -0.005289 -0.002263 0.000161 0.001054 1Rh 5dz2 0.002247 0.000879 -0.005258 0.001033 0.003130 -0.003993 1Rh 5dxz 0.003832 -0.001324 0.000415 -0.002624 0.004424 -0.006016 1Rh 5dyz -0.000485 -0.001301 -0.011872 -0.000727 0.000637 -0.000690 1Rh 5dx2y2 -0.006059 -0.001590 -0.001156 -0.000084 -0.006533 0.008720 1Rh 5dxy -0.002841 0.002643 -0.004238 -0.002211 -0.001882 0.001728 1Rh 1f0 -0.000290 0.001244 0.000272 -0.000182 0.000162 -0.000488 1Rh 1f+1 0.000235 0.000014 -0.000333 -0.000373 -0.000100 0.000346 1Rh 1f-1 0.000089 0.000398 0.000488 -0.002131 -0.000006 0.000083 1Rh 1f+2 0.000422 0.001369 0.000115 0.001086 -0.000238 0.000736 1Rh 1f-2 0.000102 0.001143 -0.000720 -0.000802 -0.000032 0.000169 1Rh 1f+3 0.000474 -0.001023 0.000075 -0.000347 -0.000292 0.000883 1Rh 1f-3 0.000315 0.000427 0.000414 -0.000050 -0.000088 0.000323 2C 1s -0.004161 0.000182 0.005585 -0.006297 0.000095 0.000110 2C 2s -0.008663 0.000380 0.011635 -0.013121 0.000199 0.000238 2C 3s 0.012813 -0.000583 -0.017498 0.020184 -0.000383 -0.000745 2C 4s 0.010063 -0.000285 -0.010986 0.009353 0.000041 0.001462 2C 5s -0.026725 -0.000650 -0.004358 -0.013794 -0.002551 -0.004842 2C 1pz 0.006712 -0.000286 -0.008901 0.010084 -0.000183 -0.000193 2C 1px 0.001331 -0.000054 -0.001770 0.001958 0.000118 -0.000073 2C 1py 0.004515 -0.000203 -0.005978 0.006789 -0.000074 -0.000135 2C 2pz 0.001951 -0.000307 -0.002147 0.001059 -0.000287 0.000356 2C 2px 0.000298 -0.000169 -0.000167 0.000498 -0.000117 0.000343 2C 2py 0.001122 0.000387 -0.001283 0.000362 -0.000155 0.000253 2C 3pz -0.005802 0.000341 -0.002081 -0.002080 -0.000597 -0.000516 2C 3px -0.000199 0.000348 -0.001661 -0.000850 0.000977 -0.000332 2C 3py -0.004037 -0.000954 -0.001147 -0.001292 -0.000162 -0.000596 2C 1dz2 0.000294 -0.000032 -0.000369 0.000385 -0.000008 -0.000007 2C 1dxz 0.000087 -0.000004 -0.000094 0.000113 0.000001 0.000007 2C 1dyz 0.000504 -0.000010 -0.000655 0.000659 -0.000013 -0.000001 2C 1dx2y2 -0.000090 -0.000010 0.000085 -0.000116 0.000005 0.000001 2C 1dxy 0.000113 -0.000020 -0.000158 0.000146 0.000002 0.000003 2C 2dz2 -0.000011 -0.000075 0.000238 -0.000456 -0.000124 0.000126 2C 2dxz -0.000044 -0.000007 -0.000064 -0.000458 0.000057 -0.000050 2C 2dyz 0.000014 0.000074 0.000438 -0.000446 -0.000092 0.000256 2C 2dx2y2 0.000245 -0.000058 -0.000222 0.000628 -0.000024 0.000070 2C 2dxy 0.000254 -0.000039 -0.000227 0.000318 0.000068 0.000074 2C 1f0 -0.000050 -0.000035 0.000087 -0.000103 -0.000012 0.000004 2C 1f+1 -0.000244 -0.000013 0.000347 -0.000403 -0.000008 0.000016 2C 1f-1 0.000164 -0.000005 -0.000125 0.000084 0.000010 0.000040 2C 1f+2 0.000052 -0.000033 -0.000107 0.000130 -0.000005 -0.000027 2C 1f-2 0.000096 -0.000005 -0.000133 0.000105 0.000017 0.000037 2C 1f+3 -0.000048 0.000010 0.000100 -0.000123 -0.000006 0.000010 2C 1f-3 -0.000221 0.000023 0.000317 -0.000338 -0.000009 0.000001 3C 1s -0.004955 -0.006710 -0.004181 -0.000391 0.000029 0.000128 3C 2s -0.010315 -0.013979 -0.008707 -0.000815 0.000067 0.000274 3C 3s 0.015460 0.021748 0.013234 0.001310 -0.000404 -0.000690 3C 4s 0.010757 0.008631 0.007392 0.000219 0.001402 0.000955 3C 5s -0.023842 -0.015099 0.008026 0.001641 -0.001899 -0.004669 3C 1pz 0.004757 0.006451 0.003952 0.000382 -0.000078 -0.000092 3C 1px 0.003010 0.004034 0.002510 0.000238 0.000082 -0.000171 3C 1py -0.007986 -0.010752 -0.006661 -0.000620 0.000093 0.000202 3C 2pz 0.001033 -0.000218 0.000903 -0.000500 0.000296 0.000015 3C 2px 0.000557 0.000212 0.000298 -0.000083 0.000133 0.000102 3C 2py -0.001702 -0.000401 -0.001082 -0.000174 -0.000543 -0.000242 3C 3pz -0.003856 -0.001084 0.000802 0.001120 -0.000244 -0.000324 3C 3px -0.001163 -0.000996 0.001589 0.000204 0.000455 -0.000793 3C 3py 0.004747 0.002609 -0.002924 0.000180 0.000264 0.000477 3C 1dz2 -0.000141 -0.000162 -0.000129 -0.000038 0.000001 0.000004 3C 1dxz 0.000127 0.000149 0.000088 0.000002 0.000006 -0.000007 3C 1dyz -0.000555 -0.000651 -0.000460 -0.000034 -0.000001 0.000002 3C 1dx2y2 -0.000287 -0.000340 -0.000215 -0.000021 -0.000010 0.000003 3C 1dxy -0.000284 -0.000332 -0.000227 -0.000016 -0.000002 0.000009 3C 2dz2 -0.000225 -0.000218 -0.000030 -0.000094 -0.000070 -0.000042 3C 2dxz -0.000142 -0.000467 -0.000068 -0.000071 0.000123 -0.000066 3C 2dyz 0.000266 0.000588 0.000541 0.000136 -0.000202 -0.000218 3C 2dx2y2 0.000304 0.001023 0.000301 0.000059 -0.000042 -0.000081 3C 2dxy 0.000061 0.000547 0.000132 0.000081 -0.000113 0.000039 3C 1f0 -0.000157 -0.000101 -0.000088 0.000001 -0.000014 -0.000020 3C 1f+1 -0.000179 -0.000224 -0.000150 -0.000030 0.000003 0.000004 3C 1f-1 0.000032 0.000048 0.000039 0.000045 -0.000011 -0.000008 3C 1f+2 -0.000201 -0.000188 -0.000145 -0.000001 -0.000044 -0.000034 3C 1f-2 0.000069 0.000157 0.000080 0.000030 -0.000020 -0.000013 3C 1f+3 -0.000178 -0.000323 -0.000187 -0.000010 0.000012 0.000003 3C 1f-3 0.000260 0.000397 0.000253 0.000004 -0.000009 -0.000023 4C 1s -0.027906 0.001206 0.036690 -0.041273 0.000522 0.000616 4C 2s -0.059169 0.002558 0.077832 -0.087535 0.001095 0.001270 4C 3s 0.095492 -0.004114 -0.126867 0.141183 -0.000640 0.000008 4C 4s 0.068334 -0.003153 -0.084303 0.100454 -0.007925 -0.013162 4C 5s 0.013148 0.000195 0.003888 0.007474 -0.002776 0.000078 4C 1pz 0.025655 -0.001271 -0.033578 0.037622 -0.001282 -0.000291 4C 1px 0.005269 -0.000323 -0.006936 0.007790 0.002709 -0.000572 4C 1py 0.017582 -0.000500 -0.023017 0.025794 0.000255 -0.000397 4C 2pz 0.008744 -0.000384 -0.007155 0.008474 -0.001650 -0.001798 4C 2px 0.002038 -0.000232 -0.001567 0.001926 -0.000216 -0.000513 4C 2py 0.006226 0.000033 -0.005178 0.006156 -0.001189 -0.001245 4C 3pz -0.014109 -0.001324 -0.004617 -0.010660 -0.001192 -0.002628 4C 3px -0.002525 -0.000817 -0.000474 -0.001479 -0.002956 -0.000479 4C 3py -0.009118 0.001302 -0.003289 -0.006989 -0.002070 -0.001530 4C 1dz2 -0.001355 0.000131 0.001767 -0.002041 -0.000109 0.000095 4C 1dxz -0.003073 0.000163 0.003971 -0.004522 0.000310 0.000023 4C 1dyz 0.001704 -0.000112 -0.002135 0.002369 -0.000068 -0.000057 4C 1dx2y2 0.004995 -0.000154 -0.006444 0.007337 -0.000108 -0.000188 4C 1dxy 0.002692 -0.000111 -0.003446 0.003907 0.000120 -0.000137 4C 2dz2 0.000572 -0.000738 -0.001029 0.001316 0.000639 0.000054 4C 2dxz -0.000562 -0.000314 0.000448 -0.000833 0.000083 0.001109 4C 2dyz 0.002303 0.000283 -0.003453 0.004629 -0.000062 -0.000506 4C 2dx2y2 0.001681 -0.000667 -0.001874 0.002600 -0.000982 -0.001129 4C 2dxy 0.001442 -0.000124 -0.001947 0.002582 -0.000891 -0.000519 4C 1f0 -0.001168 0.000026 0.001491 -0.001806 0.000070 0.000151 4C 1f+1 -0.002402 0.000115 0.003076 -0.003715 0.000200 0.000240 4C 1f-1 -0.001202 0.000041 0.001544 -0.001878 0.000045 0.000071 4C 1f+2 0.002260 -0.000137 -0.002884 0.003501 -0.000105 -0.000272 4C 1f-2 -0.000394 -0.000025 0.000512 -0.000617 -0.000015 0.000005 4C 1f+3 0.000083 0.000035 -0.000096 0.000125 0.000030 -0.000075 4C 1f-3 -0.001989 0.000064 0.002538 -0.003069 0.000195 0.000195 5C 1s -0.033234 -0.044148 -0.027466 -0.002573 0.000148 0.000727 5C 2s -0.070451 -0.093604 -0.058254 -0.005456 0.000293 0.001508 5C 3s 0.113507 0.150429 0.094859 0.008731 0.000457 -0.000530 5C 4s 0.081885 0.109321 0.063211 0.006693 -0.005462 -0.012685 5C 5s 0.012185 0.007959 -0.005910 -0.000537 0.001369 -0.000710 5C 1pz 0.018561 0.024455 0.015274 0.001161 -0.000784 0.000198 5C 1px 0.011958 0.015814 0.009861 0.000900 0.002220 -0.001852 5C 1py -0.030454 -0.040150 -0.025040 -0.002534 0.000517 0.000233 5C 2pz 0.006007 0.005769 0.003148 -0.000134 -0.000484 -0.001013 5C 2px 0.003428 0.002786 0.001421 0.000442 0.000467 -0.001270 5C 2py -0.009366 -0.008555 -0.004551 -0.000361 0.000450 0.001863 5C 3pz -0.006409 -0.006756 0.004163 -0.001050 0.000125 -0.001985 5C 3px -0.004351 -0.004355 0.002213 0.000349 -0.001344 0.000756 5C 3py 0.011417 0.011022 -0.006431 -0.001955 -0.000203 0.002974 5C 1dz2 -0.003864 -0.005088 -0.003139 -0.000229 -0.000053 0.000166 5C 1dxz -0.003588 -0.004775 -0.002930 -0.000241 0.000164 0.000050 5C 1dyz -0.003329 -0.004284 -0.002654 -0.000284 0.000133 0.000039 5C 1dx2y2 0.005070 0.006753 0.004120 0.000449 0.000083 -0.000230 5C 1dxy 0.001014 0.001407 0.000844 0.000083 -0.000235 0.000115 5C 2dz2 -0.002364 -0.003494 -0.001726 -0.000981 0.000556 0.000773 5C 2dxz -0.000764 -0.000938 -0.000349 -0.000323 -0.000140 0.000671 5C 2dyz -0.003310 -0.005679 -0.002990 0.000053 0.000152 0.000750 5C 2dx2y2 0.000800 0.000721 0.000298 -0.000422 -0.000516 -0.000987 5C 2dxy -0.000935 -0.001740 -0.000946 -0.000326 0.000535 -0.000295 5C 1f0 -0.000424 -0.000573 -0.000341 -0.000011 -0.000027 0.000085 5C 1f+1 -0.001751 -0.002444 -0.001402 -0.000131 0.000084 0.000183 5C 1f-1 0.000266 0.000369 0.000207 0.000080 -0.000010 -0.000011 5C 1f+2 0.001055 0.001488 0.000861 0.000044 0.000016 -0.000037 5C 1f-2 0.002464 0.003459 0.001982 0.000210 -0.000050 -0.000201 5C 1f+3 -0.002697 -0.003766 -0.002158 -0.000226 0.000143 0.000234 5C 1f-3 0.002833 0.003934 0.002257 0.000246 -0.000072 -0.000235 6C 1s -0.033033 0.043597 -0.028656 -0.001193 0.000440 0.000597 6C 2s -0.070025 0.092435 -0.060777 -0.002532 0.000922 0.001227 6C 3s 0.112815 -0.148517 0.098893 0.004281 -0.000686 -0.000008 6C 4s 0.081421 -0.108099 0.066268 0.001952 -0.005834 -0.012590 6C 5s 0.012209 -0.008164 -0.005752 -0.000412 -0.001459 0.000542 6C 1pz -0.018440 0.024133 -0.015884 -0.000928 -0.000672 0.000446 6C 1px -0.011902 0.015638 -0.010297 -0.000451 0.002859 -0.000398 6C 1py 0.030268 -0.039648 0.026150 0.000900 0.000172 -0.000538 6C 2pz -0.005990 0.005721 -0.003246 -0.000542 0.000446 0.001044 6C 2px -0.003417 0.002764 -0.001538 0.000258 0.001221 0.000486 6C 2py 0.009331 -0.008482 0.004775 0.000232 -0.001102 -0.001587 6C 3pz 0.006355 -0.006878 -0.003809 -0.001704 0.001677 0.001256 6C 3px 0.004337 -0.004431 -0.002129 -0.000014 -0.001466 0.000487 6C 3py -0.011380 0.011256 0.006385 -0.000885 -0.002522 -0.001855 6C 1dz2 -0.003841 0.005025 -0.003266 -0.000200 0.000158 0.000071 6C 1dxz -0.003570 0.004721 -0.003056 -0.000160 -0.000072 0.000155 6C 1dyz -0.003307 0.004229 -0.002773 -0.000079 -0.000059 0.000125 6C 1dx2y2 0.005040 -0.006671 0.004311 0.000116 -0.000226 -0.000093 6C 1dxy 0.001003 -0.001384 0.000879 0.000033 0.000241 -0.000097 6C 2dz2 -0.002342 0.003458 -0.001937 0.000735 0.000209 0.000931 6C 2dxz -0.000759 0.000933 -0.000420 0.000273 0.000608 0.000351 6C 2dyz -0.003295 0.005624 -0.003094 -0.000464 0.000465 0.000621 6C 2dx2y2 0.000811 -0.000725 0.000257 0.000457 -0.000399 -0.001042 6C 2dxy -0.000929 0.001724 -0.001027 0.000192 -0.000584 0.000189 6C 1f0 0.000421 -0.000564 0.000352 0.000035 -0.000083 -0.000038 6C 1f+1 0.001742 -0.002417 0.001468 0.000061 -0.000080 -0.000184 6C 1f-1 -0.000263 0.000365 -0.000226 0.000051 0.000002 0.000014 6C 1f+2 -0.001048 0.001470 -0.000895 -0.000074 0.000039 0.000013 6C 1f-2 -0.002450 0.003421 -0.002080 -0.000062 0.000119 0.000173 6C 1f+3 0.002680 -0.003722 0.002261 0.000070 -0.000079 -0.000263 6C 1f-3 -0.002816 0.003890 -0.002368 -0.000064 0.000129 0.000212 7C 1s -0.027485 -0.000251 0.030321 0.046424 0.000104 0.000799 7C 2s -0.058276 -0.000531 0.064325 0.098461 0.000201 0.001660 7C 3s 0.094033 0.000810 -0.105060 -0.158981 0.000432 -0.000447 7C 4s 0.067395 0.000945 -0.068895 -0.112347 -0.004347 -0.014786 7C 5s 0.013092 -0.000102 0.004968 -0.006937 0.002023 -0.002051 7C 1pz -0.025232 -0.000394 0.027732 0.042273 -0.000640 0.001141 7C 1px -0.005180 -0.000142 0.005726 0.008744 0.002224 -0.001621 7C 1py -0.017366 0.000099 0.019086 0.029111 0.000461 0.000078 7C 2pz -0.008667 -0.000196 0.005862 0.009526 0.000189 0.002423 7C 2px -0.002033 -0.000191 0.001289 0.002173 0.000227 0.000553 7C 2py -0.006186 0.000169 0.004240 0.006928 0.000100 0.001742 7C 3pz 0.013970 -0.001220 0.006176 -0.009935 0.001117 0.002710 7C 3px 0.002473 -0.000808 0.000720 -0.001367 -0.001674 0.002593 7C 3py 0.009092 0.001378 0.004269 -0.006489 -0.000303 0.002634 7C 1dz2 -0.001346 -0.000085 0.001467 0.002307 0.000143 -0.000016 7C 1dxz -0.003028 -0.000060 0.003276 0.005081 -0.000190 0.000243 7C 1dyz 0.001686 0.000056 -0.001776 -0.002679 0.000004 -0.000089 7C 1dx2y2 0.004917 -0.000014 -0.005307 -0.008235 -0.000066 -0.000206 7C 1dxy 0.002651 0.000021 -0.002841 -0.004388 -0.000180 -0.000004 7C 2dz2 0.000539 0.000712 -0.000820 -0.001422 -0.000396 0.000524 7C 2dxz -0.000565 0.000326 0.000325 0.000913 0.000748 0.000810 7C 2dyz 0.002269 -0.000369 -0.002743 -0.005117 -0.000338 -0.000389 7C 2dx2y2 0.001660 0.000618 -0.001496 -0.002867 -0.000156 -0.001500 7C 2dxy 0.001427 0.000074 -0.001563 -0.002866 0.000214 -0.001021 7C 1f0 0.001146 -0.000012 -0.001209 -0.002008 -0.000063 -0.000154 7C 1f+1 0.002359 0.000035 -0.002500 -0.004136 -0.000041 -0.000311 7C 1f-1 0.001184 0.000001 -0.001256 -0.002094 -0.000022 -0.000082 7C 1f+2 -0.002229 -0.000062 0.002351 0.003911 0.000129 0.000260 7C 1f-2 0.000391 -0.000038 -0.000419 -0.000693 -0.000013 0.000008 7C 1f+3 -0.000084 0.000038 0.000078 0.000142 0.000076 0.000028 7C 1f-3 0.001966 -0.000002 -0.002074 -0.003437 -0.000012 -0.000279 8C 1s -0.004925 0.006626 -0.004362 -0.000183 0.000075 0.000107 8C 2s -0.010252 0.013803 -0.009084 -0.000381 0.000158 0.000233 8C 3s 0.015362 -0.021482 0.013830 0.000511 -0.000241 -0.000763 8C 4s 0.010717 -0.008485 0.007562 0.000770 -0.000232 0.001687 8C 5s -0.023808 0.015416 0.007831 -0.000237 -0.002394 -0.004578 8C 1pz -0.004727 0.006370 -0.004126 -0.000161 0.000015 0.000120 8C 1px -0.002993 0.003984 -0.002620 -0.000107 0.000181 0.000054 8C 1py 0.007938 -0.010619 0.006950 0.000294 -0.000087 -0.000204 8C 2pz -0.001037 -0.000232 -0.000816 -0.000616 0.000189 -0.000234 8C 2px -0.000555 0.000213 -0.000284 -0.000121 0.000012 -0.000170 8C 2py 0.001697 -0.000373 0.001112 -0.000029 -0.000185 0.000564 8C 3pz 0.003859 -0.001133 -0.000936 0.000951 0.000099 0.000404 8C 3px 0.001149 -0.001060 -0.001591 -0.000043 0.000917 0.000197 8C 3py -0.004748 0.002697 0.002800 0.000645 -0.000220 -0.000525 8C 1dz2 -0.000140 0.000159 -0.000137 0.000020 0.000002 0.000004 8C 1dxz 0.000127 -0.000147 0.000091 0.000010 -0.000009 -0.000001 8C 1dyz -0.000552 0.000641 -0.000477 -0.000029 0.000002 0.000000 8C 1dx2y2 -0.000286 0.000336 -0.000224 -0.000008 0.000009 -0.000005 8C 1dxy -0.000282 0.000327 -0.000235 -0.000015 0.000008 0.000004 8C 2dz2 -0.000221 0.000216 -0.000047 0.000090 0.000014 -0.000079 8C 2dxz -0.000138 0.000465 -0.000086 0.000060 -0.000132 0.000047 8C 2dyz 0.000263 -0.000577 0.000569 -0.000058 -0.000030 -0.000295 8C 2dx2y2 0.000302 -0.001017 0.000333 -0.000015 -0.000032 -0.000088 8C 2dxy 0.000057 -0.000544 0.000153 -0.000062 0.000105 -0.000059 8C 1f0 0.000156 -0.000099 0.000089 0.000012 0.000006 0.000024 8C 1f+1 0.000180 -0.000225 0.000161 -0.000009 -0.000001 -0.000004 8C 1f-1 -0.000031 0.000046 -0.000046 0.000039 -0.000001 0.000014 8C 1f+2 0.000200 -0.000185 0.000148 0.000018 -0.000004 0.000055 8C 1f-2 -0.000068 0.000154 -0.000087 0.000019 -0.000004 0.000024 8C 1f+3 0.000177 -0.000321 0.000196 0.000016 0.000006 -0.000011 8C 1f-3 -0.000257 0.000390 -0.000259 -0.000031 0.000011 0.000023 9C 1s -0.004097 -0.000037 0.004614 0.007081 0.000017 0.000143 9C 2s -0.008531 -0.000078 0.009612 0.014755 0.000042 0.000306 9C 3s 0.012613 0.000130 -0.014391 -0.022635 -0.000297 -0.000784 9C 4s 0.009956 -0.000004 -0.009518 -0.010950 0.001084 0.001016 9C 5s -0.026573 0.000562 -0.006394 0.013172 -0.001887 -0.005220 9C 1pz -0.006599 -0.000055 0.007333 0.011314 0.000020 0.000264 9C 1px -0.001304 -0.000008 0.001459 0.002194 0.000132 -0.000040 9C 1py -0.004465 -0.000048 0.004953 0.007658 0.000051 0.000146 9C 2pz -0.001939 -0.000253 0.001990 0.001382 -0.000468 -0.000021 9C 2px -0.000296 -0.000164 0.000100 0.000530 -0.000335 -0.000141 9C 2py -0.001122 0.000419 0.001206 0.000574 -0.000310 -0.000057 9C 3pz 0.005787 0.000387 0.002341 -0.001778 -0.000026 0.000814 9C 3px 0.000178 0.000390 0.001761 -0.000600 0.000912 -0.000526 9C 3py 0.004011 -0.000929 0.001404 -0.001151 0.000348 0.000531 9C 1dz2 0.000288 0.000022 -0.000307 -0.000434 0.000000 -0.000011 9C 1dxz 0.000085 0.000002 -0.000075 -0.000123 0.000005 0.000006 9C 1dyz 0.000498 -0.000008 -0.000554 -0.000754 0.000008 -0.000011 9C 1dx2y2 -0.000090 0.000012 0.000069 0.000130 -0.000003 0.000004 9C 1dxy 0.000112 0.000015 -0.000136 -0.000169 0.000001 0.000003 9C 2dz2 -0.000009 0.000083 0.000168 0.000479 0.000182 -0.000008 9C 2dxz -0.000039 0.000005 -0.000135 0.000434 -0.000075 0.000010 9C 2dyz 0.000023 -0.000061 0.000365 0.000503 0.000257 0.000102 9C 2dx2y2 0.000234 0.000051 -0.000124 -0.000652 0.000066 0.000031 9C 2dxy 0.000251 0.000033 -0.000180 -0.000346 0.000011 0.000100 9C 1f0 0.000050 -0.000037 -0.000070 -0.000114 -0.000011 0.000006 9C 1f+1 0.000239 -0.000022 -0.000282 -0.000449 -0.000018 -0.000005 9C 1f-1 -0.000162 -0.000003 0.000110 0.000101 -0.000023 -0.000034 9C 1f+2 -0.000048 -0.000030 0.000084 0.000141 0.000017 0.000022 9C 1f-2 -0.000092 -0.000002 0.000113 0.000119 -0.000016 -0.000038 9C 1f+3 0.000045 0.000008 -0.000078 -0.000133 -0.000012 -0.000003 9C 1f-3 0.000221 0.000015 -0.000270 -0.000391 -0.000007 0.000007 10H 1s 0.001830 -0.000084 -0.002571 0.002840 0.000004 -0.000059 10H 2s 0.002115 -0.000045 -0.002485 0.002270 0.000067 -0.000434 10H 3s 0.001261 -0.000086 0.000162 0.002147 -0.000268 0.000973 10H 1pz 0.000279 -0.000009 -0.000437 0.000460 0.000010 -0.000061 10H 1px -0.000287 0.000007 0.000424 -0.000381 0.000002 0.000063 10H 1py 0.000120 -0.000001 -0.000206 0.000203 0.000006 -0.000032 11H 1s 0.001705 -0.000075 -0.002340 0.002707 -0.000060 -0.000046 11H 2s 0.002313 -0.000238 -0.002329 0.003078 -0.000187 0.000068 11H 3s 0.002729 0.000503 -0.001570 0.001041 0.000735 0.000577 11H 1pz 0.000476 -0.000074 -0.000660 0.000746 -0.000037 -0.000019 11H 1px 0.000212 -0.000039 -0.000246 0.000402 -0.000028 0.000002 11H 1py 0.000067 -0.000004 -0.000119 0.000067 0.000021 0.000009 12H 1s 0.001726 -0.000080 -0.002394 0.002722 -0.000070 -0.000051 12H 2s 0.002094 0.000061 -0.002119 0.002477 -0.000301 0.000022 12H 3s 0.002372 -0.000313 -0.001128 0.001541 0.000627 0.000354 12H 1pz 0.000157 0.000009 -0.000247 0.000244 -0.000003 -0.000006 12H 1px 0.000132 0.000012 -0.000146 0.000253 -0.000024 0.000008 12H 1py 0.000387 0.000024 -0.000551 0.000605 -0.000061 -0.000029 13H 1s 0.002183 0.003007 0.001920 0.000181 0.000003 -0.000091 13H 2s 0.002534 0.002560 0.001908 0.000072 0.000120 -0.000327 13H 3s 0.001154 0.002143 -0.000384 0.000134 -0.000003 0.000873 13H 1pz 0.000385 0.000498 0.000379 0.000017 0.000000 -0.000057 13H 1px -0.000239 -0.000278 -0.000212 -0.000012 0.000006 0.000032 13H 1py -0.000272 -0.000412 -0.000266 -0.000014 -0.000015 0.000040 14H 1s 0.002082 0.002907 0.001815 0.000172 -0.000037 -0.000042 14H 2s 0.002482 0.002667 0.001667 0.000037 -0.000252 0.000010 14H 3s 0.002197 0.001849 0.000455 0.000217 0.000605 0.000342 14H 1pz 0.000369 0.000468 0.000355 0.000008 -0.000044 -0.000019 14H 1px 0.000366 0.000536 0.000308 0.000003 -0.000042 -0.000010 14H 1py -0.000179 -0.000264 -0.000173 -0.000003 0.000009 0.000000 15H 1s 0.002019 0.002862 0.001732 0.000163 -0.000016 -0.000052 15H 2s 0.002575 0.003319 0.001615 0.000339 -0.000012 0.000093 15H 3s 0.002953 0.001087 0.001086 -0.000607 0.000414 0.000605 15H 1pz 0.000033 -0.000055 0.000063 -0.000008 0.000003 0.000005 15H 1px 0.000169 0.000272 0.000129 0.000033 0.000000 0.000001 15H 1py -0.000615 -0.000889 -0.000518 -0.000113 0.000023 0.000004 16H 1s 0.001143 -0.000164 -0.000225 0.000322 0.083597 0.032363 16H 2s 0.000551 -0.000014 -0.000456 -0.000358 0.058865 0.022370 16H 3s -0.000004 0.000077 -0.000410 0.000519 0.001554 0.000318 16H 1pz 0.000196 0.000012 -0.000073 -0.000037 0.014229 0.005434 16H 1px -0.000020 0.000013 0.000083 -0.000055 0.000016 0.000066 16H 1py 0.000074 -0.000044 -0.000004 -0.000037 0.004953 0.001920 17H 1s 0.001134 -0.000279 -0.000093 0.000182 0.083631 0.032376 17H 2s 0.000584 0.000408 0.000200 0.000137 0.058656 0.022320 17H 3s -0.000008 -0.000424 0.000261 -0.000051 0.001560 0.000290 17H 1pz -0.000132 -0.000048 0.000019 0.000017 -0.009782 -0.003767 17H 1px -0.000141 0.000015 -0.000062 -0.000004 -0.008778 -0.003302 17H 1py 0.000104 0.000032 -0.000018 0.000039 0.007041 0.002720 18H 1s 0.001132 0.000271 -0.000075 -0.000201 -0.032189 0.083712 18H 2s 0.000578 -0.000398 0.000210 -0.000113 -0.022856 0.058424 18H 3s -0.000007 0.000427 0.000235 0.000095 -0.000818 0.001301 18H 1pz 0.000135 -0.000048 -0.000020 0.000012 -0.003861 0.009988 18H 1px 0.000140 0.000017 0.000059 0.000005 -0.003452 0.008724 18H 1py -0.000100 0.000030 0.000013 0.000041 0.002607 -0.006767 19H 1s 0.001140 0.000156 -0.000181 -0.000361 -0.032172 0.083669 19H 2s 0.000549 -0.000001 -0.000513 0.000286 -0.022994 0.058704 19H 3s -0.000011 -0.000078 -0.000332 -0.000575 -0.000813 0.001377 19H 1pz -0.000193 0.000013 0.000077 -0.000025 0.005488 -0.014080 19H 1px 0.000021 0.000012 -0.000076 -0.000066 -0.000083 0.000061 19H 1py -0.000078 -0.000044 0.000013 -0.000036 0.002027 -0.005277 20H 1s 0.002007 -0.002829 0.001810 0.000076 -0.000028 -0.000047 20H 2s 0.002560 -0.003285 0.001732 -0.000121 0.000086 0.000051 20H 3s 0.002950 -0.001081 0.001007 0.000727 0.000179 0.000722 20H 1pz -0.000031 -0.000057 -0.000059 -0.000017 -0.000001 -0.000006 20H 1px -0.000169 0.000274 -0.000141 0.000015 -0.000001 -0.000001 20H 1py 0.000609 -0.000877 0.000551 -0.000041 0.000014 -0.000021 21H 1s 0.002067 -0.002868 0.001892 0.000078 -0.000007 -0.000055 21H 2s 0.002472 -0.002643 0.001718 0.000187 0.000181 -0.000174 21H 3s 0.002198 -0.001827 0.000534 -0.000169 -0.000135 0.000677 21H 1pz -0.000369 0.000464 -0.000366 -0.000042 -0.000016 0.000045 21H 1px -0.000362 0.000529 -0.000316 -0.000039 -0.000021 0.000037 21H 1py 0.000180 -0.000262 0.000179 0.000021 0.000006 -0.000007 22H 1s 0.002170 -0.002969 0.002003 0.000083 -0.000070 -0.000060 22H 2s 0.002525 -0.002523 0.001966 0.000185 -0.000323 -0.000129 22H 3s 0.001141 -0.002166 -0.000315 -0.000194 0.000660 0.000584 22H 1pz -0.000380 0.000487 -0.000388 -0.000035 0.000043 0.000038 22H 1px 0.000240 -0.000276 0.000221 0.000017 -0.000019 -0.000026 22H 1py 0.000272 -0.000408 0.000277 0.000022 -0.000040 -0.000016 23H 1s 0.001697 0.000018 -0.001972 -0.003055 0.000009 -0.000086 23H 2s 0.002074 -0.000119 -0.001732 -0.002796 0.000225 -0.000206 23H 3s 0.002374 0.000288 -0.000924 -0.001691 -0.000164 0.000710 23H 1pz -0.000157 0.000016 0.000212 0.000280 0.000003 0.000006 23H 1px -0.000126 0.000015 0.000102 0.000268 -0.000022 0.000012 23H 1py -0.000384 0.000039 0.000457 0.000689 -0.000020 0.000065 24H 1s 0.001678 0.000014 -0.001924 -0.003034 0.000006 -0.000076 24H 2s 0.002287 0.000175 -0.001867 -0.003396 0.000181 -0.000101 24H 3s 0.002701 -0.000539 -0.001366 -0.001289 -0.000065 0.000944 24H 1pz -0.000467 -0.000056 0.000546 0.000834 -0.000011 0.000042 24H 1px -0.000211 -0.000033 0.000189 0.000440 -0.000021 0.000021 24H 1py -0.000067 -0.000001 0.000107 0.000088 0.000007 -0.000022 25H 1s 0.001803 0.000018 -0.002136 -0.003205 -0.000046 -0.000036 25H 2s 0.002093 -0.000019 -0.002133 -0.002631 -0.000363 -0.000247 25H 3s 0.001233 0.000085 0.000478 -0.002112 0.000911 0.000447 25H 1pz -0.000277 0.000002 0.000369 0.000524 0.000052 0.000035 25H 1px 0.000283 -0.000004 -0.000365 -0.000442 -0.000045 -0.000045 25H 1py -0.000115 0.000004 0.000169 0.000227 0.000027 0.000017 26O 1s -0.028070 0.001204 0.036563 -0.040872 -0.000967 0.000709 26O 2s -0.066341 0.002844 0.086447 -0.096665 -0.002258 0.001691 26O 3s 0.094997 -0.004065 -0.124074 0.139358 0.002736 -0.002643 26O 4s 0.127294 -0.005508 -0.165314 0.180793 0.006264 -0.002968 26O 5s 0.040234 -0.001371 -0.055511 0.072440 0.005896 0.004976 26O 1pz 0.001990 -0.000396 -0.001820 0.001461 -0.000025 0.000007 26O 1px -0.031857 0.001172 0.041921 -0.047436 0.000224 0.001121 26O 1py -0.010719 0.001035 0.014597 -0.016886 0.000065 0.000410 26O 2pz 0.003025 -0.000409 -0.003010 0.003036 0.000401 -0.000052 26O 2px -0.025423 0.000922 0.034271 -0.038113 -0.000614 0.000272 26O 2py -0.007597 0.000787 0.010857 -0.012300 -0.000084 0.000075 26O 3pz 0.000170 -0.000100 0.000940 0.005677 -0.001108 0.000106 26O 3px -0.003430 -0.000138 0.006414 -0.005781 -0.002273 -0.004301 26O 3py -0.001159 0.000198 0.003057 0.001433 -0.000740 -0.001407 26O 1dz2 -0.000914 0.000016 0.001199 -0.001417 -0.000009 0.000021 26O 1dxz 0.000149 -0.000001 -0.000220 0.000195 0.000017 0.000024 26O 1dyz 0.000036 0.000016 -0.000060 -0.000073 -0.000026 -0.000020 26O 1dx2y2 0.001179 -0.000048 -0.001530 0.001754 0.000014 -0.000056 26O 1dxy 0.001136 -0.000073 -0.001499 0.001637 0.000009 -0.000038 26O 2dz2 -0.001865 -0.000020 0.002650 -0.002612 -0.000261 -0.000102 26O 2dxz 0.000395 -0.000097 -0.000463 0.000687 0.000212 -0.000107 26O 2dyz 0.000988 0.000001 -0.001382 0.001937 0.000298 0.000091 26O 2dx2y2 0.002790 -0.000235 -0.004042 0.004195 0.000266 0.000270 26O 2dxy 0.002913 -0.000086 -0.004138 0.004579 0.000495 0.000175 26O 1f0 0.000092 -0.000011 -0.000124 0.000135 0.000014 0.000000 26O 1f+1 0.000600 -0.000029 -0.000812 0.000893 0.000025 -0.000005 26O 1f-1 0.000361 -0.000013 -0.000540 0.000564 0.000024 -0.000003 26O 1f+2 -0.000076 0.000007 0.000113 -0.000125 -0.000031 0.000004 26O 1f-2 -0.000081 0.000007 0.000095 -0.000102 0.000001 -0.000006 26O 1f+3 0.000344 -0.000030 -0.000481 0.000516 0.000003 0.000005 26O 1f-3 0.000771 -0.000024 -0.001043 0.001138 0.000028 0.000004 27O 1s -0.033392 -0.043748 -0.027355 -0.002578 -0.000979 0.001353 27O 2s -0.078925 -0.103469 -0.064678 -0.006098 -0.002305 0.003214 27O 3s 0.113064 0.149177 0.092828 0.008790 0.003079 -0.004826 27O 4s 0.151410 0.193519 0.123851 0.011501 0.005155 -0.005838 27O 5s 0.047237 0.077405 0.041447 0.003436 0.005278 0.003511 27O 1pz 0.006168 0.007350 0.004777 -0.000113 0.000019 -0.000176 27O 1px -0.039535 -0.053087 -0.032765 -0.003206 -0.000329 0.001626 27O 1py 0.002635 0.004901 0.002769 -0.000114 0.000062 -0.000243 27O 2pz 0.005831 0.006981 0.004520 -0.000031 0.000245 -0.000182 27O 2px -0.031217 -0.042160 -0.026653 -0.002458 -0.000933 0.000530 27O 2py 0.000595 0.002129 0.001278 -0.000207 -0.000245 0.000086 27O 3pz 0.000155 0.004463 -0.000128 -0.000287 0.000945 0.000999 27O 3px -0.005044 -0.006262 -0.005862 -0.000127 0.000675 -0.003501 27O 3py 0.001061 -0.004504 0.001904 -0.000167 -0.000511 -0.000199 27O 1dz2 -0.001034 -0.001342 -0.000857 -0.000110 -0.000019 0.000052 27O 1dxz -0.000344 -0.000491 -0.000271 -0.000012 -0.000027 0.000019 27O 1dyz -0.000011 0.000115 -0.000010 0.000006 0.000029 0.000021 27O 1dx2y2 0.001781 0.002419 0.001462 0.000134 0.000046 -0.000077 27O 1dxy -0.000591 -0.000713 -0.000510 -0.000033 0.000015 0.000027 27O 2dz2 -0.003069 -0.004239 -0.002730 -0.000316 -0.000228 -0.000108 27O 2dxz -0.000672 -0.000769 -0.000632 -0.000145 0.000157 -0.000090 27O 2dyz -0.000839 -0.001589 -0.000795 -0.000002 -0.000204 -0.000069 27O 2dx2y2 0.004195 0.005468 0.003798 0.000211 0.000188 0.000154 27O 2dxy -0.001873 -0.002790 -0.001619 -0.000170 -0.000422 -0.000011 27O 1f0 -0.000241 -0.000335 -0.000235 -0.000029 -0.000006 0.000002 27O 1f+1 0.000801 0.001055 0.000680 0.000055 0.000022 -0.000010 27O 1f-1 -0.000173 -0.000230 -0.000156 -0.000013 -0.000005 0.000002 27O 1f+2 0.000083 0.000094 0.000044 0.000015 -0.000009 0.000007 27O 1f-2 -0.000027 -0.000057 -0.000036 -0.000006 -0.000027 0.000006 27O 1f+3 0.000887 0.001188 0.000775 0.000063 0.000033 -0.000016 27O 1f-3 -0.000463 -0.000611 -0.000394 -0.000044 -0.000021 0.000007 28O 1s -0.027692 0.001186 0.036045 -0.040264 0.001738 0.000236 28O 2s -0.065436 0.002803 0.085207 -0.095214 0.004112 0.000577 28O 3s 0.093625 -0.003996 -0.122173 0.137202 -0.005909 -0.001142 28O 4s 0.125552 -0.005441 -0.163107 0.177837 -0.008102 -0.000390 28O 5s 0.040017 -0.001555 -0.054574 0.072399 -0.000601 0.007051 28O 1pz -0.017326 0.000439 0.023490 -0.027110 0.000916 0.000512 28O 1px 0.028629 -0.001445 -0.037372 0.042061 -0.001275 -0.000741 28O 1py 0.000380 0.000550 0.000031 -0.000454 0.000081 0.000041 28O 2pz -0.012520 0.000269 0.017891 -0.020155 0.000362 -0.000152 28O 2px 0.023426 -0.001185 -0.031141 0.034481 -0.001023 0.000337 28O 2py 0.001352 0.000406 -0.001058 0.000940 -0.000290 0.000162 28O 3pz -0.002866 -0.000000 0.004801 0.001123 -0.002102 -0.000058 28O 3px 0.003390 -0.000276 -0.005434 0.007512 0.002551 0.002525 28O 3py -0.000485 0.000269 0.000978 0.003546 0.000120 0.000222 28O 1dz2 0.000086 -0.000010 -0.000132 0.000056 0.000014 -0.000033 28O 1dxz -0.001534 0.000050 0.002022 -0.002286 0.000091 0.000029 28O 1dyz 0.000077 -0.000006 -0.000117 -0.000011 0.000004 -0.000041 28O 1dx2y2 0.001031 -0.000066 -0.001336 0.001538 -0.000069 -0.000019 28O 1dxy -0.000126 0.000026 0.000180 -0.000221 -0.000002 -0.000004 28O 2dz2 0.000472 -0.000155 -0.000604 0.000944 -0.000236 0.000251 28O 2dxz -0.003681 0.000124 0.005188 -0.005493 0.000105 -0.000348 28O 2dyz 0.001139 0.000030 -0.001570 0.002147 -0.000175 0.000304 28O 2dx2y2 0.002493 -0.000182 -0.003609 0.003723 0.000064 0.000172 28O 2dxy -0.000111 -0.000046 0.000090 -0.000053 0.000104 -0.000049 28O 1f0 0.000392 -0.000018 -0.000534 0.000585 -0.000018 0.000012 28O 1f+1 0.000431 -0.000029 -0.000577 0.000629 -0.000027 0.000011 28O 1f-1 0.000026 -0.000006 -0.000083 0.000074 -0.000022 0.000011 28O 1f+2 -0.000822 0.000037 0.001131 -0.001226 0.000035 -0.000016 28O 1f-2 0.000201 0.000001 -0.000290 0.000302 -0.000007 0.000003 28O 1f+3 -0.000432 0.000016 0.000580 -0.000634 0.000008 -0.000001 28O 1f-3 0.000024 0.000010 -0.000021 0.000035 -0.000014 0.000012 29O 1s -0.001229 0.000186 0.000163 -0.000225 -0.091355 -0.035276 29O 2s -0.002912 0.000440 0.000385 -0.000530 -0.216522 -0.083574 29O 3s 0.004300 -0.000633 -0.000550 0.000731 0.314145 0.120840 29O 4s 0.004526 -0.000763 -0.000706 0.001064 0.422520 0.164813 29O 5s 0.005193 -0.000929 -0.000388 0.000778 0.153280 0.055183 29O 1pz -0.000174 -0.000058 0.000097 -0.000172 -0.018180 -0.007051 29O 1px 0.000234 -0.000098 -0.000014 0.000027 0.034443 0.013382 29O 1py -0.000798 0.000237 0.000111 -0.000218 -0.059834 -0.023107 29O 2pz -0.000054 -0.000070 0.000040 -0.000244 -0.015212 -0.005761 29O 2px -0.000120 -0.000190 0.000005 0.000057 0.028274 0.010620 29O 2py -0.000719 0.000244 0.000116 -0.000243 -0.052982 -0.020491 29O 3pz 0.000352 -0.000529 -0.000436 -0.000751 -0.001903 -0.001393 29O 3px -0.001279 -0.000136 0.000008 -0.000321 0.003535 0.003038 29O 3py -0.000523 0.000840 0.000038 -0.000512 -0.006582 -0.002721 29O 1dz2 0.000048 0.000004 -0.000013 0.000020 0.002313 0.000912 29O 1dxz 0.000050 -0.000015 -0.000006 -0.000020 0.001521 0.000615 29O 1dyz 0.000012 -0.000018 -0.000019 -0.000003 0.000678 0.000267 29O 1dx2y2 -0.000052 -0.000014 0.000006 -0.000005 -0.000445 -0.000212 29O 1dxy -0.000044 0.000028 -0.000001 -0.000027 -0.002646 -0.001039 29O 2dz2 -0.000058 -0.000053 0.000033 -0.000038 0.004441 0.001646 29O 2dxz -0.000133 0.000039 -0.000005 0.000144 0.003091 0.001083 29O 2dyz -0.000011 0.000124 0.000049 0.000080 0.001367 0.000505 29O 2dx2y2 0.000253 0.000100 -0.000039 0.000004 -0.000830 -0.000136 29O 2dxy 0.000018 -0.000093 0.000014 0.000110 -0.006304 -0.002367 29O 1f0 -0.000034 0.000010 0.000001 -0.000010 -0.002339 -0.000917 29O 1f+1 0.000014 0.000004 -0.000008 0.000015 0.000882 0.000349 29O 1f-1 -0.000038 0.000010 0.000000 -0.000015 -0.002898 -0.001122 29O 1f+2 0.000023 -0.000009 0.000003 -0.000006 0.001169 0.000471 29O 1f-2 -0.000019 0.000003 0.000009 0.000000 -0.001763 -0.000678 29O 1f+3 0.000026 0.000002 -0.000009 0.000007 0.001173 0.000480 29O 1f-3 0.000014 -0.000019 -0.000006 0.000012 0.000914 0.000362 30O 1s -0.033130 -0.043369 -0.027127 -0.002516 0.001223 -0.000259 30O 2s -0.078308 -0.102578 -0.064143 -0.005950 0.002887 -0.000591 30O 3s 0.112197 0.147950 0.092094 0.008553 -0.004011 0.000451 30O 4s 0.150067 0.191510 0.122644 0.011295 -0.006524 0.002387 30O 5s 0.047006 0.076423 0.040583 0.004340 0.000692 0.005701 30O 1pz -0.016941 -0.023374 -0.014262 -0.001898 0.000376 0.000398 30O 1px 0.032304 0.042421 0.026408 0.002355 -0.000613 -0.000679 30O 1py 0.015726 0.022283 0.013528 0.000896 -0.000371 -0.000352 30O 2pz -0.012608 -0.017611 -0.011059 -0.001514 0.000099 0.000088 30O 2px 0.026725 0.034978 0.022163 0.001998 -0.000627 0.000270 30O 2py 0.010973 0.015978 0.010018 0.000667 -0.000100 -0.000101 30O 3pz -0.002355 0.000178 -0.002934 -0.000469 -0.000665 -0.002166 30O 3px 0.003331 0.008232 0.003577 0.000481 0.002139 0.002458 30O 3py 0.002805 -0.002217 0.003554 -0.000082 0.000937 0.001588 30O 1dz2 -0.000357 -0.000449 -0.000291 -0.000028 0.000012 0.000037 30O 1dxz -0.001368 -0.001841 -0.001124 -0.000132 0.000046 0.000003 30O 1dyz -0.000870 -0.001024 -0.000734 -0.000055 0.000031 0.000018 30O 1dx2y2 0.000619 0.000885 0.000486 0.000037 -0.000036 -0.000014 30O 1dxy 0.001305 0.001797 0.001085 0.000084 -0.000039 0.000016 30O 2dz2 -0.001367 -0.001910 -0.001224 -0.000259 -0.000017 -0.000191 30O 2dxz -0.003063 -0.004010 -0.002748 -0.000278 0.000036 -0.000261 30O 2dyz -0.003017 -0.004515 -0.002682 -0.000211 0.000151 -0.000375 30O 2dx2y2 0.001362 0.001587 0.001296 0.000026 0.000208 0.000026 30O 2dxy 0.002836 0.003567 0.002485 0.000250 -0.000097 0.000198 30O 1f0 0.000540 0.000689 0.000432 0.000039 0.000004 -0.000001 30O 1f+1 -0.000017 -0.000020 -0.000020 -0.000015 -0.000009 0.000008 30O 1f-1 0.000033 0.000039 0.000024 -0.000002 0.000004 0.000004 30O 1f+2 -0.000451 -0.000617 -0.000413 -0.000032 0.000013 -0.000007 30O 1f-2 -0.000880 -0.001171 -0.000772 -0.000071 0.000016 -0.000020 30O 1f+3 0.000111 0.000156 0.000105 0.000017 -0.000022 0.000014 30O 1f-3 -0.000607 -0.000809 -0.000517 -0.000054 0.000016 -0.000013 31O 1s -0.032926 0.042819 -0.028289 -0.001200 -0.001010 0.000730 31O 2s -0.077826 0.101277 -0.066891 -0.002838 -0.002368 0.001736 31O 3s 0.111504 -0.146081 0.096055 0.004068 0.003009 -0.002663 31O 4s 0.149163 -0.189020 0.127777 0.005496 0.006153 -0.003206 31O 5s 0.046624 -0.075582 0.042658 0.001248 0.003885 0.004358 31O 1pz 0.016838 -0.023096 0.014979 0.000069 -0.000044 -0.000544 31O 1px -0.032102 0.041881 -0.027528 -0.001262 0.000094 0.000908 31O 1py -0.015616 0.021992 -0.014061 -0.000960 0.000012 0.000510 31O 2pz 0.012531 -0.017395 0.011608 0.000015 0.000005 -0.000130 31O 2px -0.026557 0.034522 -0.023088 -0.001039 -0.000628 0.000278 31O 2py -0.010888 0.015754 -0.010395 -0.000713 0.000003 0.000139 31O 3pz 0.002354 0.000227 0.002981 -0.000065 0.001203 0.001965 31O 3px -0.003276 0.008145 -0.003803 -0.000021 -0.000441 -0.003245 31O 3py -0.002797 -0.002312 -0.003448 -0.000562 -0.000617 -0.001780 31O 1dz2 -0.000354 0.000442 -0.000303 -0.000012 0.000019 0.000033 31O 1dxz -0.001360 0.001819 -0.001177 -0.000022 -0.000027 0.000036 31O 1dyz -0.000866 0.001009 -0.000760 -0.000046 -0.000007 0.000035 31O 1dx2y2 0.000615 -0.000875 0.000508 0.000030 0.000014 -0.000036 31O 1dxy 0.001297 -0.001775 0.001130 0.000064 0.000037 -0.000018 31O 2dz2 -0.001356 0.001883 -0.001295 0.000089 -0.000130 -0.000140 31O 2dxz -0.003044 0.003954 -0.002860 -0.000100 -0.000226 -0.000152 31O 2dyz -0.002996 0.004459 -0.002797 -0.000158 -0.000385 -0.000142 31O 2dx2y2 0.001356 -0.001561 0.001326 0.000152 -0.000118 0.000173 31O 2dxy 0.002817 -0.003513 0.002583 0.000091 0.000220 0.000063 31O 1f0 -0.000536 0.000680 -0.000451 -0.000020 0.000003 -0.000003 31O 1f+1 0.000016 -0.000019 0.000022 -0.000012 -0.000012 0.000001 31O 1f-1 -0.000033 0.000038 -0.000025 -0.000006 -0.000000 -0.000006 31O 1f+2 0.000448 -0.000609 0.000429 0.000025 0.000014 -0.000005 31O 1f-2 0.000875 -0.001155 0.000803 0.000035 0.000026 0.000002 31O 1f+3 -0.000110 0.000154 -0.000110 0.000003 -0.000025 0.000007 31O 1f-3 0.000603 -0.000798 0.000539 0.000017 0.000021 -0.000003 32O 1s -0.001227 -0.000177 0.000135 0.000256 0.035226 -0.091374 32O 2s -0.002906 -0.000419 0.000318 0.000603 0.083516 -0.216545 32O 3s 0.004292 0.000604 -0.000458 -0.000836 -0.121477 0.313898 32O 4s 0.004513 0.000722 -0.000575 -0.001192 -0.161701 0.423750 32O 5s 0.005195 0.000898 -0.000266 -0.000868 -0.062034 0.150536 32O 1pz 0.000153 -0.000063 -0.000067 -0.000182 -0.006402 0.016684 32O 1px -0.000241 -0.000098 0.000014 0.000032 0.013426 -0.035039 32O 1py 0.000797 0.000231 -0.000085 -0.000240 -0.023128 0.059999 32O 2pz 0.000035 -0.000074 -0.000000 -0.000242 -0.005448 0.013835 32O 2px 0.000114 -0.000191 -0.000009 0.000057 0.011295 -0.028529 32O 2py 0.000718 0.000235 -0.000085 -0.000268 -0.020436 0.053096 32O 3pz -0.000363 -0.000519 0.000551 -0.000677 -0.000148 0.002080 32O 3px 0.001273 -0.000138 0.000037 -0.000328 0.000169 -0.004788 32O 3py 0.000527 0.000834 0.000040 -0.000520 -0.002420 0.006744 32O 1dz2 0.000047 -0.000004 -0.000009 -0.000022 -0.000866 0.002296 32O 1dxz 0.000050 0.000015 -0.000009 0.000018 -0.000585 0.001589 32O 1dyz 0.000013 0.000018 -0.000020 0.000000 -0.000292 0.000772 32O 1dx2y2 -0.000052 0.000014 0.000005 0.000006 0.000134 -0.000452 32O 1dxy -0.000044 -0.000028 -0.000004 0.000027 0.000999 -0.002635 32O 2dz2 -0.000057 0.000056 0.000024 0.000046 -0.001758 0.004380 32O 2dxz -0.000134 -0.000038 0.000017 -0.000141 -0.001299 0.003086 32O 2dyz -0.000009 -0.000122 0.000063 -0.000073 -0.000593 0.001480 32O 2dx2y2 0.000253 -0.000101 -0.000038 -0.000011 0.000438 -0.000660 32O 2dxy 0.000019 0.000096 0.000026 -0.000106 0.002457 -0.006198 32O 1f0 0.000031 0.000010 0.000000 -0.000010 -0.000824 0.002172 32O 1f+1 -0.000015 0.000003 0.000006 0.000017 0.000378 -0.001001 32O 1f-1 0.000039 0.000009 0.000002 -0.000016 -0.001146 0.002981 32O 1f+2 -0.000025 -0.000009 -0.000002 -0.000005 0.000496 -0.001336 32O 1f-2 0.000019 0.000002 -0.000008 -0.000001 -0.000668 0.001727 32O 1f+3 -0.000026 0.000003 0.000007 0.000008 0.000408 -0.001127 32O 1f-3 -0.000014 -0.000018 0.000005 0.000013 0.000341 -0.000908 33O 1s -0.027272 -0.000245 0.029820 0.045317 -0.000985 0.001443 33O 2s -0.064444 -0.000578 0.070486 0.107158 -0.002316 0.003425 33O 3s 0.092199 0.000808 -0.100969 -0.154322 0.003092 -0.005133 33O 4s 0.123682 0.001170 -0.135561 -0.200743 0.005132 -0.006246 33O 5s 0.039249 0.000165 -0.043467 -0.079836 0.005464 0.004306 33O 1pz 0.017024 -0.000170 -0.019277 -0.030351 0.000236 -0.001018 33O 1px -0.028213 -0.000470 0.030900 0.047330 -0.000309 0.001438 33O 1py -0.000352 0.000551 -0.000010 -0.000500 0.000025 -0.000089 33O 2pz 0.012285 -0.000193 -0.014746 -0.022610 0.000340 -0.000161 33O 2px -0.023077 -0.000373 0.025825 0.038863 -0.000923 0.000528 33O 2py -0.001319 0.000436 0.000875 0.001060 -0.000316 0.000107 33O 3pz 0.002872 -0.000134 -0.004912 0.000373 -0.001367 0.001580 33O 3px -0.003302 -0.000139 0.004289 0.008238 -0.000130 -0.003594 33O 3py 0.000522 0.000236 -0.001493 0.003346 -0.000047 -0.000244 33O 1dz2 0.000083 0.000006 -0.000120 -0.000072 -0.000034 -0.000012 33O 1dxz -0.001509 0.000003 0.001667 0.002568 -0.000040 0.000086 33O 1dyz 0.000078 0.000002 -0.000119 -0.000009 -0.000033 -0.000025 33O 1dx2y2 0.001017 0.000031 -0.001101 -0.001726 0.000032 -0.000064 33O 1dxy -0.000127 -0.000021 0.000150 0.000250 -0.000002 -0.000004 33O 2dz2 0.000457 0.000140 -0.000456 -0.001016 0.000344 -0.000007 33O 2dxz -0.003618 0.000011 0.004330 0.006213 -0.000322 -0.000155 33O 2dyz 0.001123 -0.000070 -0.001246 -0.002371 0.000342 0.000075 33O 2dx2y2 0.002457 0.000088 -0.003037 -0.004235 0.000082 0.000162 33O 2dxy -0.000116 0.000048 0.000087 0.000076 -0.000107 0.000045 33O 1f0 -0.000387 -0.000004 0.000445 0.000661 -0.000021 0.000005 33O 1f+1 -0.000422 -0.000014 0.000477 0.000707 -0.000026 0.000013 33O 1f-1 -0.000024 -0.000003 0.000071 0.000085 -0.000023 0.000008 33O 1f+2 0.000809 0.000008 -0.000941 -0.001383 0.000035 -0.000015 33O 1f-2 -0.000200 0.000009 0.000244 0.000345 -0.000007 0.000003 33O 1f+3 0.000426 0.000001 -0.000483 -0.000716 0.000006 -0.000006 33O 1f-3 -0.000025 0.000011 0.000017 0.000041 -0.000018 0.000002 34O 1s -0.033199 0.043210 -0.028543 -0.001169 0.001659 0.000184 34O 2s -0.078468 0.102197 -0.067488 -0.002764 0.003925 0.000454 34O 3s 0.112407 -0.147351 0.096882 0.003932 -0.005634 -0.000970 34O 4s 0.150555 -0.191088 0.129096 0.005456 -0.007794 -0.000084 34O 5s 0.046873 -0.076560 0.043435 0.002273 -0.000844 0.006188 34O 1pz -0.006149 0.007269 -0.004904 -0.000757 0.000144 0.000104 34O 1px 0.039299 -0.052438 0.034221 0.001291 -0.001427 -0.000845 34O 1py -0.002621 0.004848 -0.002849 -0.000496 0.000222 0.000116 34O 2pz -0.005810 0.006901 -0.004649 -0.000641 0.000302 -0.000061 34O 2px 0.031025 -0.041625 0.027789 0.001203 -0.001008 0.000326 34O 2py -0.000590 0.002102 -0.001288 -0.000387 -0.000235 0.000128 34O 3pz -0.000127 0.004450 0.000069 -0.000272 -0.000124 -0.001372 34O 3px 0.005009 -0.006146 0.005981 0.000679 0.003043 0.001874 34O 3py -0.001071 -0.004552 -0.001748 -0.000426 -0.000145 0.000481 34O 1dz2 -0.001027 0.001324 -0.000897 -0.000008 0.000051 0.000021 34O 1dxz -0.000343 0.000487 -0.000283 -0.000025 0.000033 -0.000007 34O 1dyz -0.000012 -0.000115 -0.000007 -0.000007 -0.000004 0.000036 34O 1dx2y2 0.001770 -0.002389 0.001527 0.000067 -0.000087 -0.000017 34O 1dxy -0.000588 0.000703 -0.000528 -0.000037 0.000010 0.000029 34O 2dz2 -0.003047 0.004182 -0.002852 -0.000060 0.000071 -0.000240 34O 2dxz -0.000670 0.000760 -0.000668 0.000057 -0.000172 0.000057 34O 2dyz -0.000833 0.001573 -0.000826 -0.000108 0.000085 -0.000199 34O 2dx2y2 0.004170 -0.005391 0.003925 0.000311 -0.000011 0.000240 34O 2dxy -0.001862 0.002760 -0.001699 -0.000053 0.000275 -0.000319 34O 1f0 0.000239 -0.000331 0.000245 0.000004 -0.000005 0.000003 34O 1f+1 -0.000796 0.001041 -0.000707 -0.000039 0.000022 -0.000010 34O 1f-1 0.000172 -0.000228 0.000163 0.000008 -0.000005 0.000002 34O 1f+2 -0.000083 0.000094 -0.000049 0.000009 -0.000011 0.000002 34O 1f-2 0.000027 -0.000056 0.000038 -0.000000 -0.000023 0.000016 34O 1f+3 -0.000882 0.001172 -0.000806 -0.000044 0.000034 -0.000014 34O 1f-3 0.000460 -0.000604 0.000412 0.000011 -0.000019 0.000011 35O 1s -0.027660 -0.000250 0.030262 0.046019 0.001164 -0.000239 35O 2s -0.065371 -0.000590 0.071545 0.108836 0.002744 -0.000534 35O 3s 0.093601 0.000832 -0.102598 -0.156819 -0.003756 0.000241 35O 4s 0.125472 0.001186 -0.137401 -0.204113 -0.006365 0.002664 35O 5s 0.039449 -0.000047 -0.044380 -0.080018 -0.000320 0.007816 35O 1pz -0.001988 -0.000346 0.001610 0.001749 -0.000021 0.000014 35O 1px 0.031374 0.000081 -0.034600 -0.053317 -0.000672 -0.000916 35O 1py 0.010567 0.000656 -0.012027 -0.018955 -0.000258 -0.000322 35O 2pz -0.003008 -0.000327 0.002559 0.003491 0.000310 -0.000266 35O 2px 0.025021 0.000031 -0.028372 -0.042905 -0.000610 0.000284 35O 2py 0.007482 0.000506 -0.008980 -0.013830 -0.000113 0.000018 35O 3pz -0.000127 -0.000132 -0.001744 0.005483 -0.000843 0.000771 35O 3px 0.003348 -0.000300 -0.005492 -0.006660 0.001609 0.004653 35O 3py 0.001154 0.000111 -0.003230 0.000974 0.000509 0.001549 35O 1dz2 -0.000900 0.000015 0.000980 0.001584 0.000021 0.000008 35O 1dxz 0.000146 -0.000005 -0.000188 -0.000225 0.000006 0.000028 35O 1dyz 0.000037 -0.000018 -0.000069 0.000063 0.000003 -0.000033 35O 1dx2y2 0.001160 0.000008 -0.001258 -0.001966 -0.000050 -0.000027 35O 1dxy 0.001121 0.000034 -0.001249 -0.001851 -0.000033 -0.000020 35O 2dz2 -0.001837 0.000089 0.002241 0.002987 0.000101 -0.000266 35O 2dxz 0.000385 0.000085 -0.000357 -0.000745 -0.000224 0.000088 35O 2dyz 0.000970 -0.000036 -0.001087 -0.002128 -0.000133 0.000283 35O 2dx2y2 0.002742 0.000130 -0.003390 -0.004756 0.000019 0.000385 35O 2dxy 0.002868 -0.000022 -0.003433 -0.005163 -0.000206 0.000490 35O 1f0 -0.000091 -0.000007 0.000104 0.000152 0.000009 -0.000011 35O 1f+1 -0.000591 -0.000008 0.000674 0.001007 0.000020 -0.000016 35O 1f-1 -0.000356 0.000001 0.000453 0.000640 0.000019 -0.000016 35O 1f+2 0.000074 0.000004 -0.000094 -0.000140 -0.000024 0.000020 35O 1f-2 0.000079 0.000005 -0.000079 -0.000115 0.000005 0.000003 35O 1f+3 -0.000337 -0.000018 0.000400 0.000582 -0.000002 -0.000006 35O 1f-3 -0.000759 0.000003 0.000867 0.001285 0.000016 -0.000023 60 61 62 63 64 65 -0.97459 -0.97012 -0.96953 -0.96822 -0.72174 -0.72027 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s -0.001765 0.000241 -0.000008 0.000008 -0.001412 0.000001 0Rh 2s 0.006734 -0.000913 0.000039 -0.000026 0.005408 -0.000009 0Rh 3s -0.005978 0.000822 -0.000021 0.000028 -0.004792 0.000003 0Rh 4s -0.027528 0.003726 -0.000167 0.000106 -0.022477 0.000041 0Rh 5s 0.019845 -0.002568 0.000191 -0.000051 0.016902 -0.000126 0Rh 6s 0.039557 -0.005702 0.000007 -0.000232 0.032642 0.000231 0Rh 7s -0.053387 0.007695 0.000403 0.000234 -0.029254 0.000058 0Rh 8s -0.014581 0.001835 0.000635 0.000985 -0.003087 -0.000086 0Rh 1pz 0.000130 0.000111 0.003932 -0.006551 0.000205 -0.000063 0Rh 1px -0.000477 0.000094 0.002429 -0.001264 -0.000658 -0.000032 0Rh 1py -0.000150 0.000117 -0.006442 -0.004412 -0.000166 -0.000033 0Rh 2pz -0.000438 -0.000372 -0.013133 0.021879 -0.000696 0.000213 0Rh 2px 0.001601 -0.000317 -0.008113 0.004219 0.002233 0.000108 0Rh 2py 0.000502 -0.000391 0.021519 0.014736 0.000564 0.000111 0Rh 3pz 0.000397 0.000291 0.009749 -0.016245 0.000687 -0.000171 0Rh 3px -0.001354 0.000273 0.006013 -0.003118 -0.002151 -0.000088 0Rh 3py -0.000412 0.000285 -0.015952 -0.010929 -0.000522 -0.000082 0Rh 4pz 0.000255 0.000409 0.016107 -0.026704 0.000340 -0.000242 0Rh 4px -0.001277 0.000240 0.010003 -0.005185 -0.001270 -0.000120 0Rh 4py -0.000468 0.000500 -0.026544 -0.018076 -0.000409 -0.000155 0Rh 5pz 0.000730 0.000015 -0.000340 0.000340 0.000900 -0.000019 0Rh 5px -0.001910 0.000372 -0.000311 0.000105 -0.002583 -0.000015 0Rh 5py -0.000319 -0.000032 0.000734 0.000332 -0.000451 0.000034 0Rh 6pz -0.010794 0.001517 0.004836 -0.008084 -0.002307 0.000886 0Rh 6px 0.030476 -0.004919 0.003639 -0.001485 0.008765 -0.000049 0Rh 6py 0.004403 -0.000084 -0.007703 -0.005375 0.001169 0.001091 0Rh 1dz2 0.001684 -0.003819 0.000135 -0.000293 0.001921 0.003558 0Rh 1dxz 0.002978 -0.000070 -0.000199 0.000478 0.002704 -0.000393 0Rh 1dyz -0.000760 -0.008691 -0.000322 -0.000108 0.000280 0.008922 0Rh 1dx2y2 -0.004643 -0.000703 -0.000340 0.000002 -0.004114 0.001404 0Rh 1dxy -0.002204 -0.003139 0.000397 0.000312 -0.001650 0.003542 0Rh 2dz2 -0.000022 0.000051 0.000002 -0.000002 -0.000036 -0.000033 0Rh 2dxz -0.000047 0.000008 -0.000002 0.000011 -0.000051 0.000001 0Rh 2dyz 0.000014 0.000122 -0.000001 -0.000000 -0.000004 -0.000093 0Rh 2dx2y2 0.000076 0.000010 -0.000005 -0.000002 0.000077 -0.000019 0Rh 2dxy 0.000038 0.000045 0.000009 0.000007 0.000028 -0.000036 0Rh 3dz2 -0.002160 0.004863 -0.000183 0.000390 -0.002590 -0.004884 0Rh 3dxz -0.003777 0.000053 0.000264 -0.000666 -0.003641 0.000564 0Rh 3dyz 0.000945 0.011054 0.000422 0.000146 -0.000382 -0.012229 0Rh 3dx2y2 0.005856 0.000908 0.000462 0.000006 0.005517 -0.001931 0Rh 3dxy 0.002773 0.003995 -0.000550 -0.000432 0.002227 -0.004868 0Rh 4dz2 -0.003463 0.007815 -0.000252 0.000552 -0.003877 -0.006912 0Rh 4dxz -0.006202 0.000199 0.000381 -0.000835 -0.005466 0.000747 0Rh 4dyz 0.001609 0.017855 0.000653 0.000193 -0.000545 -0.017440 0Rh 4dx2y2 0.009709 0.001463 0.000645 -0.000030 0.008345 -0.002798 0Rh 4dxy 0.004614 0.006478 -0.000712 -0.000562 0.003294 -0.006935 0Rh 5dz2 -0.002734 0.006615 -0.000229 0.000545 -0.003102 -0.006481 0Rh 5dxz -0.004925 0.000048 0.000299 -0.000925 -0.004611 0.000662 0Rh 5dyz 0.001357 0.014870 0.000331 0.000351 -0.000362 -0.015821 0Rh 5dx2y2 0.007882 0.001068 0.000502 0.000083 0.007147 -0.002277 0Rh 5dxy 0.003697 0.005260 -0.000753 -0.000507 0.003046 -0.006221 0Rh 1f0 -0.000125 0.000142 0.001441 0.000414 -0.000135 -0.000123 0Rh 1f+1 0.000112 -0.000206 -0.000191 0.000725 0.000113 0.000160 0Rh 1f-1 0.000066 0.000124 0.000488 0.002732 0.000030 -0.000151 0Rh 1f+2 0.000204 0.000112 0.001756 -0.001599 0.000190 -0.000120 0Rh 1f-2 0.000039 -0.000410 0.001652 0.000918 0.000079 0.000363 0Rh 1f+3 0.000226 -0.000004 -0.001537 0.000380 0.000204 -0.000024 0Rh 1f-3 0.000177 0.000191 0.000826 0.000371 0.000127 -0.000215 1Rh 1s 0.001765 -0.000241 -0.000005 -0.000013 -0.001412 0.000001 1Rh 2s -0.006733 0.000914 0.000029 0.000054 0.005409 -0.000007 1Rh 3s 0.005978 -0.000823 -0.000013 -0.000044 -0.004792 0.000002 1Rh 4s 0.027526 -0.003728 -0.000126 -0.000223 -0.022479 0.000036 1Rh 5s -0.019845 0.002568 0.000159 0.000182 0.016904 -0.000123 1Rh 6s -0.039552 0.005710 -0.000044 0.000254 0.032645 0.000238 1Rh 7s 0.053373 -0.007714 0.000462 -0.000420 -0.029258 0.000062 1Rh 8s 0.014605 -0.001852 0.000698 0.000773 -0.003129 -0.000148 1Rh 1pz 0.000192 -0.000041 -0.003931 0.006552 -0.000269 -0.000020 1Rh 1px -0.000459 0.000087 -0.002428 0.001269 0.000639 0.000030 1Rh 1py -0.000139 -0.000114 0.006439 0.004415 0.000155 -0.000104 1Rh 2pz -0.000646 0.000137 0.013129 -0.021882 0.000912 0.000068 1Rh 2px 0.001541 -0.000293 0.008111 -0.004238 -0.002171 -0.000101 1Rh 2py 0.000466 0.000381 -0.021509 -0.014747 -0.000527 0.000351 1Rh 3pz 0.000552 -0.000088 -0.009745 0.016249 -0.000854 -0.000046 1Rh 3px -0.001309 0.000254 -0.006012 0.003135 0.002104 0.000083 1Rh 3py -0.000385 -0.000288 0.015944 0.010937 0.000493 -0.000272 1Rh 4pz 0.000505 -0.000210 -0.016105 0.026707 -0.000608 -0.000107 1Rh 4px -0.001204 0.000213 -0.010002 0.005199 0.001192 0.000111 1Rh 4py -0.000425 -0.000448 0.026534 0.018088 0.000362 -0.000425 1Rh 5pz 0.000735 0.000020 0.000344 -0.000341 -0.000897 0.000023 1Rh 5px -0.001908 0.000365 0.000311 -0.000080 0.002587 0.000017 1Rh 5py -0.000318 -0.000011 -0.000737 -0.000330 0.000453 -0.000019 1Rh 6pz -0.010732 0.001305 -0.004838 0.008208 0.002352 -0.000842 1Rh 6px 0.030486 -0.004887 -0.003609 0.001129 -0.008789 0.000014 1Rh 6py 0.004439 -0.000416 0.007684 0.005353 -0.001191 -0.000976 1Rh 1dz2 -0.001688 0.003823 0.000187 -0.000160 0.001932 0.003570 1Rh 1dxz -0.002974 0.000057 -0.000208 0.000499 0.002689 -0.000416 1Rh 1dyz 0.000759 0.008697 -0.000194 0.000168 0.000280 0.008935 1Rh 1dx2y2 0.004644 0.000705 -0.000314 -0.000013 -0.004119 0.001410 1Rh 1dxy 0.002205 0.003122 0.000451 0.000395 -0.001653 0.003504 1Rh 2dz2 0.000022 -0.000051 0.000002 -0.000004 -0.000036 -0.000033 1Rh 2dxz 0.000047 -0.000009 -0.000002 0.000010 -0.000051 0.000001 1Rh 2dyz -0.000014 -0.000122 -0.000003 -0.000004 -0.000004 -0.000093 1Rh 2dx2y2 -0.000076 -0.000010 -0.000006 -0.000002 0.000077 -0.000019 1Rh 2dxy -0.000038 -0.000045 0.000008 0.000006 0.000028 -0.000037 1Rh 3dz2 0.002165 -0.004868 -0.000249 0.000220 -0.002606 -0.004899 1Rh 3dxz 0.003771 -0.000035 0.000276 -0.000692 -0.003619 0.000598 1Rh 3dyz -0.000944 -0.011062 0.000259 -0.000207 -0.000382 -0.012248 1Rh 3dx2y2 -0.005858 -0.000912 0.000428 0.000025 0.005524 -0.001940 1Rh 3dxy -0.002774 -0.003971 -0.000618 -0.000537 0.002232 -0.004811 1Rh 4dz2 0.003470 -0.007822 -0.000357 0.000281 -0.003898 -0.006933 1Rh 4dxz 0.006195 -0.000178 0.000399 -0.000880 -0.005438 0.000788 1Rh 4dyz -0.001606 -0.017866 0.000390 -0.000373 -0.000546 -0.017466 1Rh 4dx2y2 -0.009711 -0.001464 0.000590 0.000001 0.008356 -0.002804 1Rh 4dxy -0.004614 -0.006447 -0.000824 -0.000732 0.003300 -0.006868 1Rh 5dz2 0.002740 -0.006618 -0.000323 0.000309 -0.003120 -0.006500 1Rh 5dxz 0.004916 -0.000021 0.000315 -0.000959 -0.004577 0.000717 1Rh 5dyz -0.001359 -0.014877 0.000112 -0.000133 -0.000358 -0.015842 1Rh 5dx2y2 -0.007884 -0.001077 0.000454 0.000116 0.007153 -0.002299 1Rh 5dxy -0.003700 -0.005228 -0.000843 -0.000651 0.003054 -0.006131 1Rh 1f0 -0.000125 0.000177 -0.001438 -0.000408 0.000132 0.000143 1Rh 1f+1 0.000105 -0.000184 0.000189 -0.000732 -0.000108 -0.000151 1Rh 1f-1 0.000050 0.000218 -0.000486 -0.002728 -0.000011 0.000209 1Rh 1f+2 0.000220 0.000088 -0.001753 0.001602 -0.000208 0.000110 1Rh 1f-2 0.000038 -0.000356 -0.001658 -0.000930 -0.000077 -0.000331 1Rh 1f+3 0.000219 -0.000014 0.001537 -0.000383 -0.000196 0.000020 1Rh 1f-3 0.000177 0.000213 -0.000822 -0.000367 -0.000128 0.000223 2C 1s -0.000114 0.000155 -0.000002 -0.000188 -0.042890 -0.045000 2C 2s -0.000226 0.000318 -0.000005 -0.000395 -0.091884 -0.096411 2C 3s 0.000275 -0.000522 0.000052 0.000624 0.140053 0.146693 2C 4s 0.000496 -0.000007 -0.000261 0.000050 0.163284 0.173757 2C 5s -0.006663 0.002620 0.000281 0.001190 0.025970 0.012372 2C 1pz 0.001437 -0.002006 0.000018 0.002433 0.013640 0.013745 2C 1px -0.003863 0.005472 -0.000044 -0.006634 0.001567 0.001514 2C 1py -0.000590 0.000848 -0.000002 -0.001028 0.009468 0.009572 2C 2pz 0.000976 -0.001407 -0.000069 0.001570 0.010378 0.011413 2C 2px -0.003547 0.004560 -0.000078 -0.005456 0.000915 0.001139 2C 2py -0.000730 0.000882 -0.000096 -0.001100 0.007089 0.007755 2C 3pz -0.000705 0.000109 -0.000147 0.000627 0.002476 -0.001300 2C 3px -0.000816 0.000811 0.000123 -0.001355 0.001033 0.000218 2C 3py -0.000814 0.000409 0.000152 -0.000139 0.002368 -0.000188 2C 1dz2 0.000387 -0.000542 0.000006 0.000614 0.000762 0.000789 2C 1dxz -0.000599 0.000836 -0.000012 -0.000956 0.000332 0.000350 2C 1dyz 0.000008 -0.000014 -0.000006 0.000030 0.001190 0.001229 2C 1dx2y2 -0.000106 0.000148 -0.000007 -0.000152 -0.000362 -0.000391 2C 1dxy -0.000459 0.000641 0.000004 -0.000728 0.000262 0.000264 2C 2dz2 0.000820 -0.001022 -0.000031 0.001240 0.001497 0.001792 2C 2dxz -0.001533 0.001800 0.000009 -0.002191 0.000538 0.000573 2C 2dyz 0.000129 -0.000118 -0.000026 -0.000110 0.002150 0.002616 2C 2dx2y2 0.000065 -0.000019 0.000039 -0.000153 -0.000576 -0.000616 2C 2dxy -0.001119 0.001343 -0.000053 -0.001702 0.000350 0.000449 2C 1f0 0.000374 -0.000514 0.000006 0.000592 0.000837 0.000896 2C 1f+1 -0.000359 0.000504 -0.000008 -0.000583 0.000497 0.000550 2C 1f-1 0.000177 -0.000253 -0.000005 0.000294 0.001973 0.002126 2C 1f+2 -0.000129 0.000163 0.000003 -0.000189 -0.002105 -0.002246 2C 1f-2 -0.000542 0.000757 -0.000005 -0.000846 0.001963 0.002068 2C 1f+3 -0.000209 0.000292 0.000001 -0.000357 -0.001242 -0.001291 2C 1f-3 0.000110 -0.000144 -0.000001 0.000165 -0.000112 -0.000096 3C 1s -0.000110 -0.000084 0.000137 0.000000 -0.043959 0.043148 3C 2s -0.000221 -0.000175 0.000291 -0.000001 -0.094197 0.092466 3C 3s 0.000264 0.000330 -0.000460 0.000022 0.144251 -0.141367 3C 4s 0.000742 0.000005 -0.000340 -0.000127 0.164749 -0.163996 3C 5s -0.005052 -0.000729 0.001235 -0.000573 0.030893 -0.016950 3C 1pz 0.001801 0.001388 -0.002295 0.000040 0.009443 -0.008972 3C 1px -0.005205 -0.004023 0.006640 -0.000120 0.004657 -0.004364 3C 1py -0.001147 -0.000882 0.001462 -0.000022 -0.013573 0.012779 3C 2pz 0.001683 0.001232 -0.001954 0.000028 0.007128 -0.007208 3C 2px -0.004392 -0.003143 0.005200 -0.000155 0.002947 -0.003097 3C 2py -0.001075 -0.000775 0.001125 -0.000019 -0.010149 0.010458 3C 3pz -0.000144 0.000051 -0.000265 -0.000063 0.001510 0.000691 3C 3px -0.001092 -0.000567 0.001511 0.000044 0.002036 -0.000624 3C 3py 0.000480 0.000005 0.000005 0.000277 -0.003084 -0.000568 3C 1dz2 0.000288 0.000219 -0.000343 0.000001 -0.000241 0.000223 3C 1dxz -0.000347 -0.000266 0.000431 0.000002 0.000404 -0.000402 3C 1dyz -0.000378 -0.000291 0.000458 -0.000007 -0.001191 0.001152 3C 1dx2y2 -0.000535 -0.000407 0.000628 -0.000011 -0.000774 0.000759 3C 1dxy 0.000840 0.000641 -0.000989 0.000024 -0.000716 0.000696 3C 2dz2 0.000637 0.000431 -0.000776 0.000038 -0.000289 0.000388 3C 2dxz -0.001030 -0.000621 0.000973 -0.000061 0.000982 -0.001006 3C 2dyz -0.000992 -0.000613 0.000940 -0.000026 -0.001401 0.001662 3C 2dx2y2 -0.001136 -0.000785 0.001373 -0.000026 -0.001319 0.001442 3C 2dxy 0.001599 0.001065 -0.002016 0.000024 -0.001174 0.001294 3C 1f0 0.000018 0.000013 -0.000026 -0.000003 -0.000168 0.000190 3C 1f+1 0.000084 0.000057 -0.000105 0.000003 0.000345 -0.000349 3C 1f-1 -0.000335 -0.000261 0.000394 -0.000007 0.000695 -0.000676 3C 1f+2 -0.000477 -0.000364 0.000594 -0.000009 -0.002818 0.002793 3C 1f-2 0.000436 0.000348 -0.000536 0.000010 -0.002156 0.002152 3C 1f+3 -0.000475 -0.000363 0.000559 -0.000016 0.001021 -0.001043 3C 1f-3 -0.000627 -0.000472 0.000728 -0.000014 -0.000211 0.000240 4C 1s -0.000250 0.000319 -0.000006 -0.000378 -0.016666 -0.016654 4C 2s -0.000523 0.000666 -0.000012 -0.000795 -0.036000 -0.035973 4C 3s 0.000915 -0.001105 0.000034 0.001328 0.059813 0.059465 4C 4s -0.000187 -0.000293 -0.000178 0.000575 0.058372 0.060151 4C 5s 0.002318 -0.001157 -0.000738 -0.000581 0.005508 0.015746 4C 1pz 0.022055 -0.030762 0.000274 0.037268 -0.056326 -0.059528 4C 1px -0.068681 0.095892 -0.000824 -0.116198 -0.011109 -0.011763 4C 1py -0.012540 0.017514 -0.000141 -0.021235 -0.037426 -0.039493 4C 2pz 0.009228 -0.010367 -0.000111 0.012629 -0.037869 -0.037763 4C 2px -0.030354 0.034188 -0.000297 -0.041961 -0.007921 -0.007682 4C 2py -0.005701 0.006442 -0.000148 -0.007918 -0.025270 -0.025069 4C 3pz -0.003755 0.001825 -0.000185 0.001412 0.002942 -0.005083 4C 3px 0.003617 -0.003493 -0.000282 -0.002307 0.001095 -0.000064 4C 3py -0.000954 -0.000097 -0.000237 -0.000083 0.001918 -0.003059 4C 1dz2 0.003091 -0.004208 0.000049 0.005161 0.001692 0.001853 4C 1dxz -0.005290 0.007191 -0.000085 -0.008800 0.001115 0.001280 4C 1dyz 0.000187 -0.000263 -0.000018 0.000331 0.002201 0.002353 4C 1dx2y2 -0.000350 0.000498 -0.000028 -0.000616 -0.001193 -0.001406 4C 1dxy -0.004005 0.005452 -0.000006 -0.006677 0.000271 0.000237 4C 2dz2 0.002225 -0.001547 0.000035 0.001222 0.003310 0.003054 4C 2dxz -0.003280 0.002048 0.000066 -0.001618 0.001978 0.001776 4C 2dyz 0.000361 -0.000341 0.000055 0.000344 0.003541 0.003165 4C 2dx2y2 -0.000592 0.000467 -0.000049 -0.000358 -0.002864 -0.002666 4C 2dxy -0.002730 0.001800 -0.000020 -0.001406 -0.000094 -0.000130 4C 1f0 -0.000163 0.000230 0.000019 -0.000223 -0.000117 -0.000109 4C 1f+1 0.000022 -0.000069 -0.000022 0.000033 -0.000151 -0.000129 4C 1f-1 0.000378 -0.000408 -0.000017 0.000466 -0.001093 -0.001080 4C 1f+2 0.000700 -0.000809 -0.000007 0.000904 0.000425 0.000400 4C 1f-2 -0.000509 0.000514 0.000007 -0.000641 -0.000431 -0.000426 4C 1f+3 0.000717 -0.000853 0.000028 0.000940 -0.000149 -0.000144 4C 1f-3 0.000789 -0.000899 0.000016 0.001024 0.000114 0.000129 5C 1s -0.000122 -0.000087 0.000134 0.000009 -0.017193 0.016081 5C 2s -0.000259 -0.000184 0.000289 0.000020 -0.037133 0.034732 5C 3s 0.000400 0.000226 -0.000322 0.000032 0.061122 -0.056829 5C 4s 0.000279 0.000595 -0.001360 -0.000498 0.063208 -0.061309 5C 5s 0.002627 0.000119 -0.001350 -0.000725 0.003233 -0.012823 5C 1pz 0.029834 0.022770 -0.037667 0.000701 -0.033688 0.033259 5C 1px -0.092615 -0.070699 0.117008 -0.002188 -0.021687 0.021428 5C 1py -0.016947 -0.012933 0.021383 -0.000397 0.057589 -0.056917 5C 2pz 0.012173 0.007432 -0.013405 0.000204 -0.022848 0.021283 5C 2px -0.037953 -0.023085 0.041457 -0.000891 -0.014627 0.013593 5C 2py -0.007118 -0.004330 0.007877 -0.000030 0.039271 -0.036603 5C 3pz -0.002627 -0.001130 -0.000222 -0.000593 0.002293 0.001607 5C 3px 0.004326 0.002432 0.002533 -0.000390 0.001914 0.000692 5C 3py 0.002368 0.000844 -0.000461 0.000964 -0.004215 -0.002822 5C 1dz2 0.002524 0.001872 -0.003155 0.000032 -0.000244 0.000165 5C 1dxz -0.003669 -0.002727 0.004592 -0.000041 0.001099 -0.001194 5C 1dyz -0.003257 -0.002427 0.004087 -0.000078 -0.001872 0.001837 5C 1dx2y2 -0.004197 -0.003123 0.005270 -0.000099 -0.001998 0.002120 5C 1dxy 0.006957 0.005171 -0.008713 0.000195 -0.001529 0.001564 5C 2dz2 0.001212 0.000290 -0.000383 0.000106 -0.000109 0.000171 5C 2dxz -0.001874 -0.000526 0.000870 -0.000010 0.002136 -0.001734 5C 2dyz -0.001575 -0.000390 0.000623 0.000010 -0.002829 0.002393 5C 2dx2y2 -0.002082 -0.000494 0.000612 -0.000114 -0.003707 0.003088 5C 2dxy 0.003545 0.000936 -0.001423 0.000026 -0.002829 0.002441 5C 1f0 -0.000796 -0.000498 0.000812 -0.000035 0.000755 -0.000709 5C 1f+1 0.000821 0.000509 -0.000840 0.000045 0.000082 -0.000091 5C 1f-1 -0.000312 -0.000164 0.000305 0.000007 0.000052 -0.000042 5C 1f+2 0.000404 0.000293 -0.000429 0.000023 0.000762 -0.000700 5C 1f-2 0.001109 0.000661 -0.001141 0.000005 0.000603 -0.000542 5C 1f+3 0.000703 0.000472 -0.000709 -0.000001 -0.000590 0.000535 5C 1f-3 -0.000003 0.000047 -0.000015 -0.000014 0.000177 -0.000150 6C 1s 0.000125 0.000088 0.000142 0.000012 -0.017058 0.015760 6C 2s 0.000267 0.000186 0.000305 0.000025 -0.036842 0.034040 6C 3s -0.000413 -0.000236 -0.000348 0.000027 0.060653 -0.055697 6C 4s -0.000297 -0.000560 -0.001395 -0.000523 0.062640 -0.060046 6C 5s -0.002683 -0.000076 -0.001347 -0.000693 0.003130 -0.012581 6C 1pz 0.029730 0.022255 0.038122 -0.000202 0.033401 -0.032546 6C 1px -0.092211 -0.069037 -0.118315 0.000640 0.021508 -0.020988 6C 1py -0.016858 -0.012618 -0.021602 0.000113 -0.057085 0.055748 6C 2pz 0.012146 0.007243 0.013562 -0.000052 0.022664 -0.020822 6C 2px -0.037823 -0.022499 -0.041909 0.000418 0.014520 -0.013320 6C 2py -0.007093 -0.004205 -0.007955 -0.000059 -0.038943 0.035849 6C 3pz -0.002643 -0.001156 0.000210 0.000595 -0.002264 -0.001626 6C 3px 0.004332 0.002466 -0.002455 0.000424 -0.001908 -0.000734 6C 3py 0.002383 0.000872 0.000457 -0.000975 0.004209 0.002975 6C 1dz2 -0.002514 -0.001827 -0.003190 -0.000008 -0.000243 0.000163 6C 1dxz 0.003651 0.002658 0.004640 0.000018 0.001090 -0.001170 6C 1dyz 0.003245 0.002370 0.004135 -0.000026 -0.001855 0.001798 6C 1dx2y2 0.004177 0.003046 0.005326 -0.000031 -0.001978 0.002074 6C 1dxy -0.006928 -0.005050 -0.008812 0.000083 -0.001517 0.001533 6C 2dz2 -0.001217 -0.000292 -0.000396 0.000105 -0.000112 0.000150 6C 2dxz 0.001879 0.000514 0.000892 -0.000003 0.002110 -0.001695 6C 2dyz 0.001574 0.000381 0.000634 0.000014 -0.002805 0.002355 6C 2dx2y2 0.002080 0.000492 0.000624 -0.000112 -0.003685 0.003013 6C 2dxy -0.003540 -0.000908 -0.001442 0.000015 -0.002794 0.002372 6C 1f0 -0.000793 -0.000486 -0.000822 0.000024 -0.000749 0.000693 6C 1f+1 0.000817 0.000498 0.000849 -0.000034 -0.000082 0.000088 6C 1f-1 -0.000312 -0.000160 -0.000309 -0.000010 -0.000053 0.000040 6C 1f+2 0.000404 0.000288 0.000436 -0.000017 -0.000756 0.000687 6C 1f-2 0.001105 0.000644 0.001154 0.000009 -0.000599 0.000533 6C 1f+3 0.000701 0.000462 0.000719 0.000011 0.000586 -0.000526 6C 1f-3 -0.000004 0.000046 0.000015 0.000016 -0.000177 0.000148 7C 1s 0.000256 -0.000317 -0.000009 -0.000402 -0.016381 -0.015971 7C 2s 0.000535 -0.000663 -0.000020 -0.000845 -0.035385 -0.034497 7C 3s -0.000937 0.001101 0.000048 0.001414 0.058789 0.057011 7C 4s 0.000193 0.000288 -0.000184 0.000600 0.057352 0.057697 7C 5s -0.002357 0.001180 -0.000724 -0.000539 0.005254 0.015229 7C 1pz 0.021765 -0.029529 -0.000637 -0.038372 0.055187 0.056891 7C 1px -0.067820 0.092113 0.001956 0.119729 0.010824 0.011175 7C 1py -0.012363 0.016797 0.000348 0.021846 0.036902 0.038002 7C 2pz 0.009138 -0.009956 -0.000009 -0.013027 0.037116 0.036072 7C 2px -0.030080 0.032828 0.000688 0.043285 0.007730 0.007291 7C 2py -0.005644 0.006176 0.000221 0.008156 0.024907 0.024095 7C 3pz -0.003763 0.001886 0.000201 -0.001317 -0.002976 0.005120 7C 3px 0.003648 -0.003585 0.000254 0.002143 -0.001141 0.000001 7C 3py -0.000964 -0.000086 0.000241 0.000088 -0.001938 0.003171 7C 1dz2 -0.003045 0.004030 0.000099 0.005303 0.001648 0.001760 7C 1dxz 0.005221 -0.006899 -0.000169 -0.009057 0.001085 0.001216 7C 1dyz -0.000190 0.000260 -0.000015 0.000350 0.002168 0.002261 7C 1dx2y2 0.000337 -0.000468 -0.000034 -0.000621 -0.001179 -0.001355 7C 1dxy 0.003965 -0.005248 -0.000071 -0.006895 0.000267 0.000228 7C 2dz2 -0.002220 0.001506 0.000050 0.001290 0.003215 0.002894 7C 2dxz 0.003274 -0.001994 0.000047 -0.001714 0.001921 0.001675 7C 2dyz -0.000365 0.000332 0.000058 0.000360 0.003488 0.003031 7C 2dx2y2 0.000590 -0.000456 -0.000055 -0.000376 -0.002790 -0.002508 7C 2dxy 0.002738 -0.001761 -0.000038 -0.001497 -0.000071 -0.000099 7C 1f0 -0.000164 0.000226 -0.000016 0.000236 0.000110 0.000101 7C 1f+1 0.000024 -0.000071 0.000021 -0.000039 0.000149 0.000129 7C 1f-1 0.000376 -0.000394 0.000012 -0.000484 0.001076 0.001038 7C 1f+2 0.000696 -0.000781 -0.000002 -0.000938 -0.000428 -0.000398 7C 1f-2 -0.000506 0.000495 -0.000001 0.000664 0.000423 0.000407 7C 1f+3 0.000710 -0.000820 -0.000038 -0.000970 0.000148 0.000141 7C 1f-3 0.000781 -0.000864 -0.000026 -0.001056 -0.000104 -0.000114 8C 1s 0.000112 0.000084 0.000142 0.000002 -0.043584 0.042256 8C 2s 0.000226 0.000176 0.000303 0.000003 -0.093393 0.090556 8C 3s -0.000268 -0.000332 -0.000477 0.000014 0.143020 -0.138448 8C 4s -0.000767 0.000003 -0.000358 -0.000123 0.163331 -0.160588 8C 5s 0.005132 0.000731 0.001195 -0.000617 0.030703 -0.016452 8C 1pz 0.001798 0.001359 0.002327 -0.000010 -0.009359 0.008786 8C 1px -0.005180 -0.003927 -0.006711 0.000032 -0.004603 0.004261 8C 1py -0.001146 -0.000864 -0.001483 0.000003 0.013480 -0.012536 8C 2pz 0.001680 0.001203 0.001979 0.000000 -0.007059 0.007062 8C 2px -0.004371 -0.003070 -0.005258 0.000086 -0.002923 0.003040 8C 2py -0.001077 -0.000759 -0.001144 0.000001 0.010087 -0.010259 8C 3pz -0.000143 0.000049 0.000280 0.000064 -0.001517 -0.000720 8C 3px -0.001097 -0.000547 -0.001531 -0.000044 -0.001979 0.000537 8C 3py 0.000487 0.000012 -0.000019 -0.000288 0.003099 0.000554 8C 1dz2 -0.000288 -0.000215 -0.000348 -0.000004 -0.000239 0.000217 8C 1dxz 0.000346 0.000260 0.000436 0.000008 0.000401 -0.000394 8C 1dyz 0.000377 0.000284 0.000464 -0.000001 -0.001181 0.001128 8C 1dx2y2 0.000534 0.000399 0.000637 -0.000002 -0.000766 0.000742 8C 1dxy -0.000836 -0.000626 -0.001000 0.000010 -0.000709 0.000681 8C 2dz2 -0.000631 -0.000419 -0.000785 0.000030 -0.000285 0.000379 8C 2dxz 0.001025 0.000608 0.000985 -0.000049 0.000962 -0.000974 8C 2dyz 0.000996 0.000602 0.000954 -0.000014 -0.001403 0.001648 8C 2dx2y2 0.001130 0.000764 0.001386 -0.000010 -0.001316 0.001419 8C 2dxy -0.001595 -0.001038 -0.002039 0.000002 -0.001161 0.001263 8C 1f0 0.000018 0.000013 0.000026 0.000004 0.000158 -0.000179 8C 1f+1 0.000085 0.000056 0.000107 -0.000002 -0.000309 0.000311 8C 1f-1 -0.000334 -0.000255 -0.000399 0.000002 -0.000683 0.000655 8C 1f+2 -0.000475 -0.000356 -0.000601 0.000001 0.002785 -0.002727 8C 1f-2 0.000433 0.000341 0.000541 -0.000003 0.002162 -0.002131 8C 1f+3 -0.000472 -0.000354 -0.000565 0.000008 -0.000998 0.001008 8C 1f-3 -0.000625 -0.000461 -0.000737 0.000004 0.000224 -0.000250 9C 1s 0.000115 -0.000151 -0.000004 -0.000196 -0.042113 -0.043103 9C 2s 0.000227 -0.000310 -0.000009 -0.000412 -0.090218 -0.092348 9C 3s -0.000272 0.000507 0.000057 0.000649 0.137513 0.140510 9C 4s -0.000518 0.000021 -0.000256 0.000073 0.160297 0.166410 9C 5s 0.006764 -0.002717 0.000248 0.001037 0.025739 0.011582 9C 1pz 0.001420 -0.001928 -0.000041 -0.002509 -0.013399 -0.013174 9C 1px -0.003815 0.005257 0.000109 0.006836 -0.001524 -0.001436 9C 1py -0.000580 0.000811 0.000012 0.001054 -0.009293 -0.009162 9C 2pz 0.000969 -0.001365 0.000050 -0.001630 -0.010205 -0.010951 9C 2px -0.003509 0.004380 0.000128 0.005627 -0.000907 -0.001113 9C 2py -0.000720 0.000838 0.000106 0.001128 -0.006941 -0.007405 9C 3pz -0.000713 0.000132 0.000150 -0.000620 -0.002497 0.001298 9C 3px -0.000808 0.000776 -0.000107 0.001397 -0.000977 -0.000112 9C 3py -0.000812 0.000409 -0.000151 0.000156 -0.002410 0.000171 9C 1dz2 -0.000381 0.000520 0.000013 0.000631 0.000740 0.000749 9C 1dxz 0.000590 -0.000802 -0.000022 -0.000984 0.000318 0.000328 9C 1dyz -0.000009 0.000015 -0.000006 0.000033 0.001171 0.001179 9C 1dx2y2 0.000104 -0.000141 -0.000009 -0.000155 -0.000356 -0.000376 9C 1dxy 0.000458 -0.000622 -0.000004 -0.000757 0.000262 0.000258 9C 2dz2 -0.000812 0.000984 -0.000019 0.001279 0.001473 0.001722 9C 2dxz 0.001521 -0.001731 -0.000010 -0.002257 0.000542 0.000555 9C 2dyz -0.000133 0.000127 -0.000024 -0.000100 0.002117 0.002523 9C 2dx2y2 -0.000065 0.000023 0.000039 -0.000151 -0.000584 -0.000606 9C 2dxy 0.001104 -0.001286 -0.000067 -0.001760 0.000326 0.000416 9C 1f0 0.000367 -0.000491 -0.000012 -0.000608 -0.000812 -0.000848 9C 1f+1 -0.000353 0.000483 0.000014 0.000598 -0.000495 -0.000533 9C 1f-1 0.000177 -0.000246 0.000002 -0.000306 -0.001919 -0.002019 9C 1f+2 -0.000126 0.000154 -0.000002 0.000194 0.002119 0.002205 9C 1f-2 -0.000538 0.000733 0.000014 0.000877 -0.001902 -0.001954 9C 1f+3 -0.000209 0.000284 0.000002 0.000372 0.001192 0.001209 9C 1f-3 0.000109 -0.000140 -0.000001 -0.000170 0.000165 0.000148 10H 1s -0.001134 0.001628 -0.000015 -0.001962 0.033916 0.035682 10H 2s -0.001414 0.001592 -0.000001 -0.001926 0.035654 0.037767 10H 3s 0.000941 0.000168 -0.000201 -0.000053 0.004716 0.005645 10H 1pz -0.000249 0.000347 -0.000005 -0.000403 0.002840 0.002947 10H 1px 0.000091 -0.000082 -0.000006 0.000147 -0.003984 -0.004182 10H 1py -0.000167 0.000247 0.000007 -0.000288 0.000991 0.001012 11H 1s 0.000443 -0.000660 -0.000003 0.000832 0.034860 0.036710 11H 2s 0.000946 -0.001056 0.000001 0.000721 0.036934 0.039313 11H 3s 0.000894 -0.000565 -0.000202 -0.000125 0.005516 0.006398 11H 1pz 0.000200 -0.000283 -0.000003 0.000257 0.003410 0.003558 11H 1px -0.000012 0.000026 0.000004 -0.000077 0.003285 0.003474 11H 1py -0.000065 0.000090 0.000005 -0.000110 -0.002054 -0.002197 12H 1s 0.000790 -0.001162 0.000025 0.001443 0.034561 0.036381 12H 2s 0.001430 -0.001620 -0.000011 0.001356 0.036562 0.038862 12H 3s 0.000756 -0.000635 0.000142 -0.000181 0.005937 0.006879 12H 1pz 0.000073 -0.000111 0.000000 0.000083 -0.000811 -0.000895 12H 1px -0.000010 0.000028 -0.000000 -0.000077 0.002148 0.002273 12H 1py 0.000281 -0.000387 0.000004 0.000386 0.004560 0.004776 13H 1s -0.001500 -0.001176 0.001930 -0.000044 0.034820 -0.034275 13H 2s -0.001688 -0.000986 0.001751 -0.000011 0.037428 -0.037108 13H 3s 0.000631 -0.000489 -0.000132 -0.000155 0.003815 -0.004316 13H 1pz -0.000293 -0.000210 0.000374 0.000002 0.003559 -0.003471 13H 1px -0.000017 -0.000048 0.000018 -0.000000 -0.003394 0.003346 13H 1py 0.000288 0.000224 -0.000335 0.000009 -0.002058 0.001994 14H 1s 0.001188 0.000952 -0.001584 0.000042 0.035236 -0.034697 14H 2s 0.001978 0.001251 -0.001636 0.000014 0.037213 -0.036969 14H 3s 0.000644 0.000392 0.000020 0.000150 0.005399 -0.005844 14H 1pz 0.000373 0.000293 -0.000431 0.000005 0.002741 -0.002666 14H 1px 0.000203 0.000145 -0.000180 0.000005 0.004442 -0.004370 14H 1py -0.000119 -0.000099 0.000100 -0.000000 0.000510 -0.000537 15H 1s 0.000429 0.000346 -0.000593 0.000003 0.035876 -0.035343 15H 2s 0.000834 0.000515 -0.000470 0.000030 0.038048 -0.037852 15H 3s 0.000741 0.000243 -0.000074 -0.000125 0.005482 -0.005916 15H 1pz -0.000021 -0.000012 0.000014 -0.000003 -0.003203 0.003192 15H 1px -0.000134 -0.000110 0.000191 0.000006 0.001055 -0.001034 15H 1py -0.000201 -0.000157 0.000176 -0.000000 -0.004239 0.004146 16H 1s 0.002576 -0.000282 0.000452 0.000231 0.000315 -0.000174 16H 2s 0.002139 0.000152 0.000519 0.000988 0.000326 -0.000549 16H 3s 0.000065 0.000550 0.000181 -0.000787 -0.000295 -0.000512 16H 1pz 0.000434 -0.000030 0.000140 0.000174 0.000054 -0.000059 16H 1px 0.000049 -0.000119 0.000008 0.000144 0.000064 0.000078 16H 1py 0.000146 -0.000039 -0.000009 0.000104 0.000033 0.000001 17H 1s 0.002582 -0.000485 0.000208 0.000534 0.000365 0.000189 17H 2s 0.002063 -0.000781 0.000942 0.000502 0.000403 0.000286 17H 3s -0.000024 -0.000348 -0.000751 0.000258 -0.000305 0.000557 17H 1pz -0.000317 0.000039 -0.000167 -0.000123 -0.000068 0.000015 17H 1px -0.000213 0.000136 0.000021 -0.000108 0.000015 -0.000070 17H 1py 0.000214 -0.000017 0.000106 0.000026 0.000048 -0.000009 18H 1s -0.002580 0.000467 0.000214 0.000558 0.000361 0.000184 18H 2s -0.002064 0.000729 0.000931 0.000538 0.000403 0.000271 18H 3s 0.000025 0.000341 -0.000744 0.000292 -0.000308 0.000552 18H 1pz -0.000323 0.000035 0.000166 0.000127 0.000070 -0.000013 18H 1px -0.000212 0.000129 -0.000022 0.000118 -0.000015 0.000067 18H 1py 0.000205 -0.000010 -0.000100 -0.000025 -0.000047 0.000013 19H 1s -0.002576 0.000272 0.000448 0.000244 0.000320 -0.000166 19H 2s -0.002143 -0.000201 0.000503 0.000992 0.000333 -0.000545 19H 3s -0.000076 -0.000529 0.000150 -0.000805 -0.000284 -0.000489 19H 1pz 0.000432 -0.000022 -0.000133 -0.000175 -0.000054 0.000057 19H 1px 0.000044 -0.000115 -0.000012 -0.000146 -0.000063 -0.000077 19H 1py 0.000156 -0.000034 0.000007 -0.000110 -0.000034 0.000003 20H 1s -0.000440 -0.000349 -0.000618 -0.000005 0.035566 -0.034611 20H 2s -0.000854 -0.000522 -0.000494 0.000022 0.037727 -0.037076 20H 3s -0.000752 -0.000242 -0.000071 -0.000130 0.005434 -0.005803 20H 1pz -0.000023 -0.000014 -0.000017 0.000003 0.003181 -0.003131 20H 1px -0.000132 -0.000106 -0.000192 -0.000008 -0.001084 0.001050 20H 1py -0.000205 -0.000158 -0.000183 -0.000003 0.004193 -0.004049 21H 1s -0.001175 -0.000924 -0.001592 0.000020 0.034940 -0.033985 21H 2s -0.001964 -0.001221 -0.001644 -0.000009 0.036914 -0.036224 21H 3s -0.000654 -0.000394 0.000024 0.000143 0.005308 -0.005671 21H 1pz 0.000371 0.000287 0.000435 0.000002 -0.002745 0.002638 21H 1px 0.000199 0.000140 0.000178 -0.000003 -0.004390 0.004267 21H 1py -0.000117 -0.000096 -0.000100 -0.000002 -0.000517 0.000537 22H 1s 0.001496 0.001150 0.001954 -0.000018 0.034517 -0.033560 22H 2s 0.001685 0.000962 0.001780 0.000006 0.037089 -0.036321 22H 3s -0.000653 0.000492 -0.000133 -0.000128 0.003821 -0.004272 22H 1pz -0.000291 -0.000204 -0.000377 -0.000006 -0.003503 0.003374 22H 1px -0.000015 -0.000047 -0.000016 -0.000001 0.003374 -0.003286 22H 1py 0.000289 0.000220 0.000343 -0.000004 0.002061 -0.001971 23H 1s -0.000767 0.001098 0.000038 0.001464 0.033948 0.034863 23H 2s -0.001407 0.001564 0.000006 0.001395 0.035904 0.037238 23H 3s -0.000785 0.000642 0.000152 -0.000151 0.005830 0.006606 23H 1pz 0.000070 -0.000104 -0.000001 -0.000083 0.000816 0.000879 23H 1px -0.000014 0.000031 0.000001 0.000085 -0.002043 -0.002111 23H 1py 0.000276 -0.000372 -0.000008 -0.000395 -0.004506 -0.004604 24H 1s -0.000452 0.000656 0.000005 0.000885 0.034211 0.035145 24H 2s -0.000970 0.001066 0.000014 0.000791 0.036242 0.037648 24H 3s -0.000910 0.000586 -0.000199 -0.000097 0.005371 0.006076 24H 1pz 0.000203 -0.000282 -0.000001 -0.000275 -0.003332 -0.003391 24H 1px -0.000006 0.000017 -0.000004 0.000071 -0.003272 -0.003378 24H 1py -0.000064 0.000086 -0.000003 0.000115 0.001976 0.002063 25H 1s 0.001122 -0.001567 -0.000034 -0.002025 0.033308 0.034184 25H 2s 0.001397 -0.001526 -0.000019 -0.001988 0.035015 0.036176 25H 3s -0.000961 -0.000155 -0.000200 -0.000042 0.004654 0.005482 25H 1pz -0.000247 0.000336 0.000009 0.000419 -0.002811 -0.002845 25H 1px 0.000090 -0.000076 0.000005 -0.000150 0.003905 0.003997 25H 1py -0.000163 0.000234 -0.000004 0.000293 -0.000935 -0.000930 26O 1s 0.029531 -0.040631 0.000348 0.048847 0.008952 0.009650 26O 2s 0.070014 -0.096363 0.000824 0.115834 0.021371 0.023059 26O 3s -0.101640 0.140080 -0.001188 -0.168261 -0.032160 -0.034937 26O 4s -0.137856 0.189622 -0.001686 -0.227521 -0.043948 -0.046593 26O 5s -0.045113 0.073841 -0.000180 -0.095676 -0.021985 -0.026431 26O 1pz 0.001458 -0.002674 -0.000330 0.004373 -0.018350 -0.018314 26O 1px 0.023382 -0.032626 0.000059 0.039817 -0.005942 -0.004971 26O 1py 0.009626 -0.013815 0.000694 0.017537 -0.013177 -0.012728 26O 2pz -0.000628 -0.000462 -0.000371 0.001075 -0.016579 -0.016246 26O 2px 0.019333 -0.029009 0.000028 0.035940 -0.004798 -0.003619 26O 2py 0.006704 -0.010991 0.000699 0.013945 -0.011859 -0.011131 26O 3pz 0.003947 -0.002417 -0.000504 -0.004205 -0.003984 -0.003420 26O 3px 0.000029 -0.005265 -0.000550 0.003149 -0.002142 -0.000255 26O 3py 0.002607 -0.003634 0.000650 -0.001434 -0.002970 -0.002077 26O 1dz2 0.000715 -0.000991 -0.000023 0.001311 -0.000054 -0.000032 26O 1dxz -0.000429 0.000626 -0.000008 -0.000707 0.000597 0.000590 26O 1dyz -0.000186 0.000275 0.000019 -0.000142 0.000293 0.000269 26O 1dx2y2 -0.000836 0.001145 -0.000019 -0.001440 -0.000135 -0.000173 26O 1dxy -0.001079 0.001514 -0.000029 -0.001790 0.000360 0.000308 26O 2dz2 0.001460 -0.002338 -0.000055 0.002504 -0.000286 -0.000132 26O 2dxz -0.001805 0.002323 -0.000083 -0.003044 0.001867 0.002034 26O 2dyz -0.001211 0.001781 0.000018 -0.002729 0.000457 0.000508 26O 2dx2y2 -0.001507 0.002687 -0.000098 -0.003025 -0.000543 -0.000831 26O 2dxy -0.002839 0.004362 -0.000014 -0.005410 0.000993 0.000884 26O 1f0 -0.000311 0.000450 0.000003 -0.000543 0.000300 0.000300 26O 1f+1 -0.000519 0.000751 -0.000012 -0.000908 -0.000222 -0.000249 26O 1f-1 -0.000416 0.000648 -0.000006 -0.000755 -0.000122 -0.000180 26O 1f+2 0.000401 -0.000589 0.000006 0.000711 -0.000155 -0.000143 26O 1f-2 0.000130 -0.000179 0.000009 0.000217 -0.000439 -0.000457 26O 1f+3 -0.000068 0.000113 -0.000001 -0.000129 -0.000300 -0.000329 26O 1f-3 -0.000640 0.000932 -0.000003 -0.001122 0.000081 0.000055 27O 1s 0.039830 0.029947 -0.049392 0.000935 0.009231 -0.009309 27O 2s 0.094429 0.071023 -0.117114 0.002215 0.022036 -0.022241 27O 3s -0.136966 -0.103168 0.169918 -0.003210 -0.033041 0.033595 27O 4s -0.186820 -0.140261 0.231064 -0.004436 -0.046146 0.045606 27O 5s -0.064103 -0.057190 0.096631 -0.000906 -0.023031 0.026676 27O 1pz -0.002622 -0.001695 0.002260 0.000532 -0.011026 0.010351 27O 1px 0.033691 0.025780 -0.043130 0.000934 -0.009677 0.008053 27O 1py -0.006184 -0.005184 0.009486 0.000212 0.019215 -0.017808 27O 2pz -0.003581 -0.002328 0.003780 0.000510 -0.010020 0.009268 27O 2px 0.028287 0.023274 -0.038683 0.000777 -0.007718 0.005903 27O 2py -0.003180 -0.003512 0.005899 0.000316 0.017048 -0.015499 27O 3pz 0.002947 0.000252 0.002907 0.000928 -0.002079 0.002058 27O 3px 0.003483 0.005865 -0.003644 -0.000121 -0.002202 0.000367 27O 3py -0.004939 -0.002025 -0.003087 0.000446 0.004197 -0.003640 27O 1dz2 0.001014 0.000775 -0.001251 0.000060 -0.000224 0.000170 27O 1dxz 0.000035 0.000013 -0.000086 -0.000001 0.000403 -0.000384 27O 1dyz 0.000069 0.000051 0.000088 -0.000011 -0.000000 -0.000015 27O 1dx2y2 -0.001546 -0.001169 0.002043 -0.000024 0.000034 0.000017 27O 1dxy 0.000977 0.000760 -0.001152 0.000014 -0.000672 0.000607 27O 2dz2 0.003018 0.002574 -0.004205 0.000125 -0.000227 0.000085 27O 2dxz -0.000751 -0.000399 0.000962 0.000049 0.001222 -0.001289 27O 2dyz 0.000557 0.000562 -0.001339 -0.000038 0.000278 -0.000305 27O 2dx2y2 -0.003551 -0.003144 0.004656 -0.000004 -0.000163 0.000411 27O 2dxy 0.003560 0.002755 -0.004881 0.000107 -0.001901 0.001843 27O 1f0 0.000055 0.000070 -0.000083 -0.000002 0.000271 -0.000293 27O 1f+1 -0.000751 -0.000594 0.000965 -0.000010 0.000022 -0.000002 27O 1f-1 0.000252 0.000207 -0.000325 0.000014 -0.000115 0.000097 27O 1f+2 0.000319 0.000267 -0.000412 0.000005 -0.000152 0.000119 27O 1f-2 0.000276 0.000228 -0.000368 0.000005 0.000196 -0.000202 27O 1f+3 -0.000755 -0.000615 0.000986 -0.000021 -0.000367 0.000394 27O 1f-3 0.000843 0.000670 -0.001090 0.000019 -0.000409 0.000375 28O 1s -0.029782 0.040918 -0.000354 -0.049182 0.009249 0.009960 28O 2s -0.070596 0.097021 -0.000838 -0.116605 0.022071 0.023788 28O 3s 0.102348 -0.140831 0.001200 0.169164 -0.033047 -0.035870 28O 4s 0.139345 -0.191404 0.001719 0.229505 -0.046187 -0.048899 28O 5s 0.046308 -0.074711 0.000846 0.095930 -0.022340 -0.026717 28O 1pz -0.015743 0.022498 0.000152 -0.028409 -0.019755 -0.019147 28O 1px 0.020538 -0.028371 0.000467 0.034203 -0.001663 -0.002539 28O 1py -0.001704 0.002823 -0.000590 -0.004189 -0.012463 -0.012332 28O 2pz -0.011640 0.018515 0.000162 -0.023332 -0.017252 -0.016228 28O 2px 0.017659 -0.025963 0.000453 0.031838 -0.002228 -0.003198 28O 2py -0.000283 0.001310 -0.000599 -0.001924 -0.011233 -0.010859 28O 3pz -0.004436 0.005945 0.000400 0.001315 -0.005161 -0.004445 28O 3px -0.000307 -0.004237 0.000638 0.004880 0.000040 -0.001062 28O 3py -0.002788 0.001947 -0.000752 0.002606 -0.002934 -0.002897 28O 1dz2 0.000343 -0.000495 0.000023 0.000488 0.000479 0.000466 28O 1dxz -0.001381 0.001923 0.000002 -0.002378 -0.000321 -0.000261 28O 1dyz 0.000225 -0.000329 -0.000006 0.000212 0.000330 0.000301 28O 1dx2y2 0.000708 -0.000968 0.000033 0.001221 -0.000205 -0.000245 28O 1dxy -0.000256 0.000369 -0.000016 -0.000489 -0.000341 -0.000341 28O 2dz2 0.001552 -0.002089 0.000124 0.002883 0.001496 0.001634 28O 2dxz -0.003446 0.005310 -0.000033 -0.006249 -0.000884 -0.000729 28O 2dyz 0.001471 -0.002142 -0.000029 0.003137 0.000531 0.000594 28O 2dx2y2 0.001180 -0.002167 0.000075 0.002412 -0.000867 -0.001132 28O 2dxy -0.001058 0.001332 0.000025 -0.001530 -0.001151 -0.001242 28O 1f0 0.000252 -0.000369 0.000007 0.000445 -0.000295 -0.000318 28O 1f+1 0.000671 -0.000967 0.000007 0.001161 0.000345 0.000339 28O 1f-1 0.000145 -0.000248 0.000000 0.000284 -0.000311 -0.000357 28O 1f+2 -0.000682 0.001010 -0.000015 -0.001205 0.000208 0.000257 28O 1f-2 0.000328 -0.000488 0.000003 0.000573 0.000257 0.000239 28O 1f+3 -0.000153 0.000220 0.000008 -0.000265 0.000231 0.000246 28O 1f-3 0.000252 -0.000352 0.000002 0.000435 0.000125 0.000133 29O 1s -0.002797 0.000430 -0.000461 -0.000511 -0.000315 -0.000013 29O 2s -0.006599 0.001015 -0.001093 -0.001217 -0.000759 -0.000033 29O 3s 0.009103 -0.001407 0.001598 0.001832 0.001199 0.000063 29O 4s 0.016082 -0.002467 0.002261 0.002293 0.001906 0.000005 29O 5s -0.003490 0.000557 -0.000036 0.000280 -0.000962 0.000284 29O 1pz -0.000690 -0.000010 -0.000325 0.000214 -0.000282 0.000264 29O 1px 0.001463 -0.000271 0.000096 0.000328 0.000889 0.000122 29O 1py -0.001833 0.000278 -0.000029 -0.000161 -0.000235 -0.000016 29O 2pz -0.000550 -0.000010 -0.000234 0.000253 -0.000314 0.000211 29O 2px 0.001199 -0.000202 -0.000069 0.000176 0.001017 0.000149 29O 2py -0.001632 0.000230 -0.000074 -0.000134 -0.000152 -0.000013 29O 3pz -0.001125 0.000809 -0.000855 0.001219 -0.000504 -0.000525 29O 3px 0.003536 -0.000433 -0.000226 0.000404 0.001294 -0.000166 29O 3py 0.000614 -0.000164 0.001431 0.000993 0.000126 -0.000134 29O 1dz2 0.000062 -0.000002 0.000020 -0.000000 -0.000001 -0.000011 29O 1dxz 0.000023 -0.000002 -0.000003 0.000032 -0.000015 -0.000000 29O 1dyz 0.000020 0.000020 -0.000009 0.000005 0.000000 -0.000028 29O 1dx2y2 0.000026 -0.000005 -0.000016 -0.000001 0.000028 0.000001 29O 1dxy -0.000079 0.000021 0.000007 0.000002 -0.000011 -0.000014 29O 2dz2 0.000227 -0.000047 -0.000027 0.000071 0.000099 0.000022 29O 2dxz 0.000245 -0.000031 0.000066 -0.000158 0.000135 0.000012 29O 2dyz 0.000071 -0.000042 0.000152 -0.000085 0.000040 0.000022 29O 2dx2y2 -0.000257 0.000058 0.000121 0.000008 -0.000175 -0.000021 29O 2dxy -0.000277 0.000036 -0.000154 -0.000175 -0.000128 0.000004 29O 1f0 -0.000074 0.000015 -0.000004 -0.000004 -0.000012 -0.000004 29O 1f+1 0.000029 0.000002 0.000012 -0.000014 0.000006 -0.000002 29O 1f-1 -0.000086 0.000018 -0.000011 -0.000003 -0.000012 -0.000007 29O 1f+2 0.000037 -0.000011 -0.000005 0.000017 0.000004 0.000004 29O 1f-2 -0.000055 -0.000000 -0.000007 -0.000016 -0.000008 0.000005 29O 1f+3 0.000037 0.000001 0.000011 -0.000001 0.000002 -0.000003 29O 1f-3 0.000032 0.000001 -0.000016 -0.000006 0.000007 -0.000003 30O 1s -0.040067 -0.030118 0.049658 -0.000916 0.009456 -0.009532 30O 2s -0.095000 -0.071427 0.117752 -0.002173 0.022570 -0.022770 30O 3s 0.137843 0.103729 -0.170902 0.003159 -0.033789 0.034341 30O 4s 0.187439 0.141027 -0.231714 0.004194 -0.047368 0.046809 30O 5s 0.065608 0.057123 -0.097258 0.002566 -0.022956 0.026473 30O 1pz -0.016382 -0.012731 0.021682 -0.000974 -0.012715 0.011406 30O 1px 0.025146 0.018909 -0.031027 0.000460 -0.005017 0.005421 30O 1py 0.017020 0.013419 -0.023125 0.000027 0.020335 -0.018561 30O 2pz -0.012895 -0.010936 0.018186 -0.000923 -0.010907 0.009440 30O 2px 0.022643 0.017938 -0.029714 0.000440 -0.005254 0.005658 30O 2py 0.012590 0.011040 -0.018423 -0.000054 0.017620 -0.015660 30O 3pz -0.003055 -0.003177 -0.000884 -0.000955 -0.003302 0.002424 30O 3px -0.000292 0.003639 -0.005138 0.000293 -0.000630 0.001948 30O 3py 0.005059 0.003893 0.002487 -0.000545 0.005208 -0.003949 30O 1dz2 -0.000197 -0.000145 0.000210 -0.000019 0.000123 -0.000133 30O 1dxz -0.001284 -0.000972 0.001669 -0.000056 -0.000063 0.000020 30O 1dyz -0.001117 -0.000861 0.001250 -0.000008 -0.000464 0.000393 30O 1dx2y2 0.000160 0.000102 -0.000285 -0.000013 -0.000557 0.000534 30O 1dxy 0.001321 0.001009 -0.001772 0.000021 0.000296 -0.000245 30O 2dz2 -0.000539 -0.000597 0.000949 -0.000131 0.000756 -0.000815 30O 2dxz -0.002838 -0.002465 0.003716 -0.000089 -0.000177 -0.000005 30O 2dyz -0.003874 -0.003178 0.005627 -0.000074 -0.000968 0.000842 30O 2dx2y2 -0.000621 -0.000189 0.000849 -0.000073 -0.001776 0.001903 30O 2dxy 0.003350 0.002759 -0.004131 0.000088 0.000908 -0.000755 30O 1f0 0.000338 0.000249 -0.000421 0.000002 0.000061 -0.000068 30O 1f+1 0.000255 0.000194 -0.000329 0.000007 0.000126 -0.000126 30O 1f-1 0.000046 0.000035 -0.000059 -0.000001 0.000211 -0.000206 30O 1f+2 -0.000293 -0.000253 0.000389 -0.000002 0.000517 -0.000535 30O 1f-2 -0.001012 -0.000822 0.001311 -0.000030 -0.000128 0.000075 30O 1f+3 0.000636 0.000511 -0.000823 0.000010 0.000318 -0.000285 30O 1f-3 -0.000569 -0.000453 0.000742 -0.000017 0.000270 -0.000277 31O 1s 0.039903 0.029418 0.050228 -0.000260 0.009377 -0.009341 31O 2s 0.094611 0.069769 0.119102 -0.000617 0.022381 -0.022315 31O 3s -0.137279 -0.101320 -0.172860 0.000898 -0.033501 0.033648 31O 4s -0.186672 -0.137769 -0.234381 0.001120 -0.047003 0.045924 31O 5s -0.065280 -0.055783 -0.098308 0.001291 -0.022688 0.025802 31O 1pz -0.016318 -0.012452 -0.021934 0.000692 0.012640 -0.011164 31O 1px 0.025041 0.018466 0.031381 -0.000048 0.004965 -0.005291 31O 1py 0.016936 0.013071 0.023362 0.000270 -0.020187 0.018242 31O 2pz -0.012843 -0.010710 -0.018405 0.000675 0.010839 -0.009229 31O 2px 0.022544 0.017517 0.030047 -0.000044 0.005206 -0.005532 31O 2py 0.012519 0.010760 0.018610 0.000305 -0.017492 0.015382 31O 3pz -0.003050 -0.003240 0.000812 0.000884 0.003270 -0.002346 31O 3px -0.000329 0.003575 0.005183 -0.000195 0.000590 -0.001858 31O 3py 0.005046 0.003909 -0.002436 0.000627 -0.005156 0.003809 31O 1dz2 0.000196 0.000142 0.000212 -0.000016 0.000121 -0.000131 31O 1dxz 0.001279 0.000950 0.001688 -0.000035 -0.000064 0.000019 31O 1dyz 0.001113 0.000843 0.001267 0.000011 -0.000460 0.000383 31O 1dx2y2 -0.000160 -0.000097 -0.000287 -0.000015 -0.000551 0.000521 31O 1dxy -0.001315 -0.000983 -0.001791 -0.000002 0.000294 -0.000242 31O 2dz2 0.000534 0.000586 0.000959 -0.000117 0.000749 -0.000800 31O 2dxz 0.002824 0.002415 0.003762 -0.000033 -0.000177 -0.000007 31O 2dyz 0.003857 0.003099 0.005687 -0.000004 -0.000964 0.000832 31O 2dx2y2 0.000617 0.000178 0.000852 -0.000071 -0.001762 0.001867 31O 2dxy -0.003335 -0.002702 -0.004181 0.000027 0.000902 -0.000739 31O 1f0 0.000336 0.000243 0.000425 0.000004 -0.000061 0.000067 31O 1f+1 0.000255 0.000190 0.000333 -0.000003 -0.000124 0.000123 31O 1f-1 0.000046 0.000034 0.000059 0.000002 -0.000210 0.000202 31O 1f+2 -0.000292 -0.000248 -0.000394 -0.000004 -0.000513 0.000524 31O 1f-2 -0.001008 -0.000804 -0.001326 0.000012 0.000127 -0.000073 31O 1f+3 0.000633 0.000499 0.000832 0.000002 -0.000315 0.000279 31O 1f-3 -0.000566 -0.000443 -0.000751 0.000007 -0.000267 0.000271 32O 1s 0.002795 -0.000409 -0.000463 -0.000531 -0.000314 -0.000010 32O 2s 0.006596 -0.000966 -0.001097 -0.001264 -0.000757 -0.000025 32O 3s -0.009097 0.001335 0.001601 0.001896 0.001195 0.000050 32O 4s -0.016076 0.002366 0.002273 0.002416 0.001907 -0.000006 32O 5s 0.003498 -0.000521 -0.000005 0.000217 -0.000983 0.000275 32O 1pz -0.000644 -0.000013 0.000313 -0.000223 0.000283 -0.000249 32O 1px 0.001478 -0.000262 -0.000101 -0.000344 -0.000888 -0.000116 32O 1py -0.001837 0.000273 0.000033 0.000173 0.000237 0.000024 32O 2pz -0.000511 -0.000010 0.000228 -0.000257 0.000318 -0.000196 32O 2px 0.001214 -0.000202 0.000064 -0.000187 -0.001015 -0.000145 32O 2py -0.001635 0.000226 0.000083 0.000139 0.000153 0.000024 32O 3pz -0.001125 0.000831 0.000869 -0.001182 0.000501 0.000520 32O 3px 0.003530 -0.000431 0.000221 -0.000429 -0.001296 0.000163 32O 3py 0.000618 -0.000078 -0.001417 -0.001009 -0.000130 0.000153 32O 1dz2 -0.000061 0.000002 0.000020 -0.000000 -0.000001 -0.000010 32O 1dxz -0.000024 0.000002 -0.000003 0.000033 -0.000014 -0.000000 32O 1dyz -0.000023 -0.000019 -0.000009 0.000005 0.000001 -0.000028 32O 1dx2y2 -0.000027 0.000006 -0.000015 -0.000000 0.000028 0.000002 32O 1dxy 0.000078 -0.000020 0.000008 0.000001 -0.000011 -0.000013 32O 2dz2 -0.000225 0.000043 -0.000027 0.000076 0.000098 0.000019 32O 2dxz -0.000249 0.000036 0.000066 -0.000156 0.000137 0.000014 32O 2dyz -0.000074 0.000043 0.000154 -0.000084 0.000041 0.000022 32O 2dx2y2 0.000255 -0.000062 0.000119 0.000006 -0.000174 -0.000023 32O 2dxy 0.000275 -0.000030 -0.000157 -0.000174 -0.000127 0.000007 32O 1f0 -0.000068 0.000015 0.000004 0.000004 0.000011 0.000004 32O 1f+1 0.000033 0.000001 -0.000012 0.000013 -0.000007 0.000001 32O 1f-1 -0.000088 0.000019 0.000013 0.000003 0.000012 0.000007 32O 1f+2 0.000042 -0.000012 0.000005 -0.000018 -0.000005 -0.000004 32O 1f-2 -0.000054 -0.000001 0.000007 0.000015 0.000008 -0.000005 32O 1f+3 0.000035 0.000002 -0.000011 0.000001 -0.000002 0.000004 32O 1f-3 0.000031 0.000001 0.000016 0.000006 -0.000007 0.000003 33O 1s 0.029419 -0.039318 -0.000835 -0.050692 0.009079 0.009546 33O 2s 0.069736 -0.093230 -0.001980 -0.120185 0.021664 0.022798 33O 3s -0.101102 0.135332 0.002858 0.174361 -0.032424 -0.034362 33O 4s -0.137647 0.183936 0.003971 0.236563 -0.045417 -0.046986 33O 5s -0.045572 0.071588 0.001749 0.098587 -0.021767 -0.025307 33O 1pz -0.015516 0.021558 0.000114 0.029202 0.019421 0.018372 33O 1px 0.020310 -0.027288 -0.000801 -0.035290 0.001596 0.002381 33O 1py -0.001706 0.002719 0.000623 0.004343 0.012297 0.011904 33O 2pz -0.011445 0.017740 0.000061 0.023963 0.016950 0.015539 33O 2px 0.017440 -0.024950 -0.000763 -0.032815 0.002164 0.003039 33O 2py -0.000296 0.001277 0.000617 0.002017 0.011078 0.010466 33O 3pz -0.004453 0.006007 -0.000334 -0.001064 0.005006 0.004115 33O 3px -0.000350 -0.004083 -0.000697 -0.005016 -0.000078 0.000951 33O 3py -0.002818 0.002025 0.000768 -0.002514 0.002848 0.002670 33O 1dz2 -0.000337 0.000476 0.000029 0.000502 0.000468 0.000441 33O 1dxz 0.001363 -0.001846 -0.000020 -0.002448 -0.000317 -0.000251 33O 1dyz -0.000224 0.000324 -0.000001 0.000227 0.000324 0.000284 33O 1dx2y2 -0.000700 0.000930 0.000044 0.001258 -0.000200 -0.000232 33O 1dxy 0.000255 -0.000356 -0.000020 -0.000507 -0.000337 -0.000330 33O 2dz2 -0.001525 0.001984 0.000148 0.002946 0.001462 0.001566 33O 2dxz 0.003395 -0.005104 -0.000097 -0.006435 -0.000869 -0.000696 33O 2dyz -0.001455 0.002052 -0.000004 0.003228 0.000527 0.000583 33O 2dx2y2 -0.001165 0.002095 0.000102 0.002497 -0.000851 -0.001089 33O 2dxy 0.001053 -0.001292 0.000010 -0.001592 -0.001132 -0.001192 33O 1f0 0.000250 -0.000356 -0.000011 -0.000460 0.000288 0.000303 33O 1f+1 0.000660 -0.000926 -0.000018 -0.001193 -0.000338 -0.000323 33O 1f-1 0.000142 -0.000238 -0.000003 -0.000292 0.000305 0.000343 33O 1f+2 -0.000673 0.000971 0.000027 0.001243 -0.000203 -0.000247 33O 1f-2 0.000325 -0.000472 -0.000009 -0.000593 -0.000254 -0.000229 33O 1f+3 -0.000151 0.000212 -0.000005 0.000274 -0.000227 -0.000236 33O 1f-3 0.000250 -0.000340 -0.000006 -0.000451 -0.000123 -0.000128 34O 1s -0.039656 -0.029244 -0.049944 0.000283 0.009148 -0.009118 34O 2s -0.094018 -0.069357 -0.118423 0.000670 0.021838 -0.021784 34O 3s 0.136371 0.100751 0.171819 -0.000964 -0.032741 0.032903 34O 4s 0.186005 0.136974 0.233654 -0.001389 -0.045758 0.044705 34O 5s 0.063767 0.055771 0.097643 0.000405 -0.022714 0.025958 34O 1pz -0.002623 -0.001649 -0.002300 -0.000564 0.010951 -0.010114 34O 1px 0.033540 0.025171 0.043604 -0.000369 0.009621 -0.007911 34O 1py -0.006156 -0.005037 -0.009580 -0.000328 -0.019064 0.017491 34O 2pz -0.003576 -0.002258 -0.003829 -0.000555 0.009949 -0.009053 34O 2px 0.028148 0.022724 0.039102 -0.000255 0.007682 -0.005799 34O 2py -0.003160 -0.003412 -0.005955 -0.000402 -0.016914 0.015216 34O 3pz 0.002968 0.000334 -0.002872 -0.000941 0.002033 -0.001961 34O 3px 0.003473 0.005812 0.003761 0.000266 0.002206 -0.000367 34O 3py -0.004949 -0.002050 0.003041 -0.000473 -0.004140 0.003493 34O 1dz2 -0.001010 -0.000758 -0.001265 0.000043 -0.000223 0.000164 34O 1dxz -0.000036 -0.000013 -0.000087 -0.000001 0.000400 -0.000375 34O 1dyz -0.000070 -0.000052 0.000087 -0.000012 0.000001 -0.000017 34O 1dx2y2 0.001539 0.001139 0.002064 0.000001 0.000034 0.000015 34O 1dxy -0.000974 -0.000744 -0.001167 -0.000003 -0.000666 0.000593 34O 2dz2 -0.003000 -0.002514 -0.004248 0.000067 -0.000230 0.000086 34O 2dxz 0.000746 0.000381 0.000967 0.000057 0.001211 -0.001266 34O 2dyz -0.000554 -0.000540 -0.001348 -0.000051 0.000274 -0.000294 34O 2dx2y2 0.003534 0.003074 0.004712 0.000068 -0.000159 0.000400 34O 2dxy -0.003544 -0.002687 -0.004934 0.000047 -0.001885 0.001808 34O 1f0 0.000055 0.000069 0.000084 0.000004 -0.000269 0.000288 34O 1f+1 -0.000748 -0.000579 -0.000976 -0.000003 -0.000022 0.000002 34O 1f-1 0.000251 0.000202 0.000329 -0.000009 0.000114 -0.000095 34O 1f+2 0.000317 0.000261 0.000416 0.000001 0.000150 -0.000116 34O 1f-2 0.000275 0.000223 0.000373 0.000000 -0.000194 0.000198 34O 1f+3 -0.000752 -0.000600 -0.000996 0.000007 0.000363 -0.000386 34O 1f-3 0.000839 0.000654 0.001103 -0.000005 0.000406 -0.000367 35O 1s -0.029159 0.039029 0.000827 0.050331 0.008783 0.009245 35O 2s -0.069133 0.092564 0.001960 0.119353 0.020970 0.022092 35O 3s 0.100362 -0.134562 -0.002840 -0.173378 -0.031543 -0.033456 35O 4s 0.136121 -0.182163 -0.003925 -0.234450 -0.043201 -0.044757 35O 5s 0.044352 -0.070686 -0.001056 -0.098273 -0.021464 -0.025107 35O 1pz 0.001408 -0.002515 0.000298 -0.004438 0.018034 0.017562 35O 1px 0.023071 -0.031312 -0.000444 -0.040992 0.005863 0.004795 35O 1py 0.009512 -0.013254 -0.000857 -0.018069 0.013017 0.012309 35O 2pz -0.000656 -0.000410 0.000363 -0.001054 0.016290 0.015564 35O 2px 0.019043 -0.027822 -0.000374 -0.036966 0.004716 0.003459 35O 2py 0.006608 -0.010542 -0.000832 -0.014359 0.011704 0.010740 35O 3pz 0.003974 -0.002553 0.000480 0.004095 0.003847 0.003094 35O 3px -0.000017 -0.005168 0.000482 -0.003316 0.002120 0.000226 35O 3py 0.002615 -0.003671 -0.000688 0.001294 0.002894 0.001877 35O 1dz2 -0.000705 0.000948 -0.000011 0.001347 -0.000056 -0.000034 35O 1dxz 0.000422 -0.000601 -0.000015 -0.000728 0.000585 0.000563 35O 1dyz 0.000185 -0.000270 0.000015 -0.000152 0.000287 0.000252 35O 1dx2y2 0.000823 -0.001096 -0.000033 -0.001480 -0.000133 -0.000166 35O 1dxy 0.001068 -0.001458 -0.000047 -0.001848 0.000355 0.000295 35O 2dz2 -0.001439 0.002257 -0.000027 0.002588 -0.000282 -0.000121 35O 2dxz 0.001778 -0.002216 -0.000110 -0.003120 0.001828 0.001949 35O 2dyz 0.001192 -0.001694 -0.000003 -0.002793 0.000451 0.000496 35O 2dx2y2 0.001477 -0.002580 -0.000130 -0.003110 -0.000537 -0.000804 35O 2dxy 0.002801 -0.004193 -0.000065 -0.005576 0.000980 0.000853 35O 1f0 -0.000307 0.000432 0.000002 0.000558 -0.000294 -0.000287 35O 1f+1 -0.000512 0.000720 0.000021 0.000934 0.000217 0.000237 35O 1f-1 -0.000411 0.000624 0.000013 0.000779 0.000119 0.000173 35O 1f+2 0.000395 -0.000566 -0.000013 -0.000731 0.000151 0.000135 35O 1f-2 0.000128 -0.000171 -0.000011 -0.000223 0.000432 0.000438 35O 1f+3 -0.000066 0.000107 0.000002 0.000131 0.000296 0.000317 35O 1f-3 -0.000632 0.000896 0.000014 0.001157 -0.000080 -0.000053 66 67 68 69 70 71 -0.71924 -0.71923 -0.54991 -0.54430 -0.53573 -0.53388 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s -0.000010 0.000017 0.003305 -0.000385 -0.000040 -0.000071 0Rh 2s 0.000041 -0.000069 -0.012651 0.001456 0.000140 0.000280 0Rh 3s -0.000030 0.000054 0.011246 -0.001320 -0.000143 -0.000234 0Rh 4s -0.000175 0.000289 0.053106 -0.006092 -0.000583 -0.001184 0Rh 5s 0.000166 -0.000250 -0.040457 0.004250 0.000348 0.001003 0Rh 6s 0.000142 -0.000306 -0.080494 0.010475 0.001210 0.001416 0Rh 7s -0.000117 -0.000173 0.095608 -0.011981 -0.001858 -0.001457 0Rh 8s 0.001792 0.000608 0.013804 -0.001560 0.001413 0.011444 0Rh 1pz 0.000220 -0.004548 0.000769 -0.000382 -0.008979 -0.004092 0Rh 1px 0.000934 -0.001358 -0.001987 0.000115 -0.003496 0.000552 0Rh 1py -0.004664 -0.000472 -0.000249 -0.000054 0.003787 -0.009870 0Rh 2pz -0.000738 0.015275 -0.002581 0.001290 0.030271 0.013795 0Rh 2px -0.003137 0.004559 0.006662 -0.000383 0.011788 -0.001865 0Rh 2py 0.015667 0.001585 0.000829 0.000186 -0.012771 0.033281 0Rh 3pz 0.000558 -0.011752 0.001846 -0.001033 -0.023605 -0.010765 0Rh 3px 0.002418 -0.003499 -0.004621 0.000220 -0.009194 0.001503 0Rh 3py -0.012052 -0.001208 -0.000462 -0.000191 0.009940 -0.025956 0Rh 4pz 0.000992 -0.019039 0.003814 -0.001558 -0.039652 -0.017949 0Rh 4px 0.003927 -0.005723 -0.010339 0.000746 -0.015466 0.002340 0Rh 4py -0.019642 -0.001979 -0.001660 -0.000105 0.017002 -0.043824 0Rh 5pz -0.000138 0.000286 -0.000597 -0.000136 0.003686 0.001485 0Rh 5px -0.000068 0.000180 0.002188 -0.000350 0.001533 -0.000100 0Rh 5py 0.000448 0.000035 0.000856 -0.000131 -0.002197 0.004787 0Rh 6pz -0.000187 0.004365 -0.000903 0.001860 0.016672 0.005969 0Rh 6px -0.001326 0.000588 0.006135 0.000561 0.005045 -0.001488 0Rh 6py 0.005414 -0.000171 -0.003627 -0.001349 -0.003562 0.011319 0Rh 1dz2 -0.000022 -0.000737 -0.006557 0.014153 0.004857 0.002152 0Rh 1dxz 0.000049 0.001095 -0.011367 -0.000819 -0.006932 -0.003040 0Rh 1dyz -0.000648 0.000131 0.002503 0.032690 -0.001604 0.002387 0Rh 1dx2y2 -0.000592 0.000408 0.017969 0.003340 -0.003677 0.001262 0Rh 1dxy 0.001201 0.000197 0.008492 0.012189 0.003079 -0.006997 0Rh 2dz2 0.000004 -0.000006 0.000126 -0.000229 -0.000101 -0.000052 0Rh 2dxz -0.000002 0.000014 0.000233 -0.000002 0.000164 0.000075 0Rh 2dyz -0.000001 0.000006 -0.000047 -0.000549 0.000064 -0.000047 0Rh 2dx2y2 -0.000008 0.000002 -0.000369 -0.000066 0.000087 -0.000034 0Rh 2dxy 0.000021 0.000001 -0.000169 -0.000202 -0.000062 0.000188 0Rh 3dz2 0.000015 0.001061 0.009225 -0.019912 -0.006858 -0.003013 0Rh 3dxz -0.000061 -0.001602 0.015941 0.001274 0.009745 0.004267 0Rh 3dyz 0.000919 -0.000206 -0.003502 -0.045981 0.002175 -0.003383 0Rh 3dx2y2 0.000864 -0.000584 -0.025133 -0.004742 0.005161 -0.001766 0Rh 3dxy -0.001780 -0.000282 -0.011910 -0.017188 -0.004365 0.009767 0Rh 4dz2 0.000075 0.001331 0.012995 -0.027813 -0.009436 -0.004227 0Rh 4dxz -0.000109 -0.001908 0.022697 0.001439 0.013557 0.005939 0Rh 4dyz 0.001215 -0.000197 -0.005062 -0.064486 0.003351 -0.004647 0Rh 4dx2y2 0.001056 -0.000752 -0.036000 -0.006718 0.007237 -0.002544 0Rh 4dxy -0.002064 -0.000359 -0.016904 -0.024086 -0.006041 0.013952 0Rh 5dz2 -0.000098 0.001541 0.009479 -0.022761 -0.007828 -0.003285 0Rh 5dxz -0.000034 -0.002613 0.016786 0.001482 0.010991 0.004805 0Rh 5dyz 0.001127 -0.000475 -0.004058 -0.051753 0.002184 -0.003603 0Rh 5dx2y2 0.001282 -0.000781 -0.026878 -0.004616 0.005800 -0.001691 0Rh 5dxy -0.002909 -0.000411 -0.012934 -0.018967 -0.004646 0.010358 0Rh 1f0 0.000958 -0.000315 -0.000304 0.000322 -0.001524 0.001916 0Rh 1f+1 0.000136 0.000272 0.000217 -0.000525 0.000733 0.000711 0Rh 1f-1 0.001094 0.001362 0.000078 0.000577 0.001651 0.004030 0Rh 1f+2 0.000557 -0.001320 0.000478 0.000236 -0.003485 -0.000480 0Rh 1f-2 0.001114 0.000054 -0.000010 -0.000964 -0.001452 0.002804 0Rh 1f+3 -0.000628 0.000643 0.000537 0.000068 0.002293 -0.001131 0Rh 1f-3 0.000376 -0.000085 0.000402 0.000524 -0.000748 0.001475 1Rh 1s 0.000011 0.000003 0.003307 -0.000386 0.000050 0.000078 1Rh 2s -0.000045 -0.000007 -0.012656 0.001462 -0.000179 -0.000306 1Rh 3s 0.000034 0.000013 0.011251 -0.001326 0.000177 0.000258 1Rh 4s 0.000191 0.000026 0.053129 -0.006119 0.000745 0.001294 1Rh 5s -0.000174 0.000015 -0.040476 0.004269 -0.000469 -0.001083 1Rh 6s -0.000176 -0.000157 -0.080527 0.010519 -0.001463 -0.001597 1Rh 7s 0.000144 0.000591 0.095648 -0.012027 0.002145 0.001684 1Rh 8s -0.001771 -0.000548 0.013825 -0.001451 -0.001289 -0.011397 1Rh 1pz 0.000218 -0.004545 -0.000737 0.000340 -0.008981 -0.004118 1Rh 1px 0.000932 -0.001367 0.001997 -0.000127 -0.003486 0.000549 1Rh 1py -0.004662 -0.000476 0.000254 0.000026 0.003765 -0.009878 1Rh 2pz -0.000734 0.015267 0.002472 -0.001146 0.030277 0.013882 1Rh 2px -0.003131 0.004592 -0.006695 0.000422 0.011753 -0.001855 1Rh 2py 0.015662 0.001597 -0.000846 -0.000090 -0.012698 0.033310 1Rh 3pz 0.000555 -0.011745 -0.001759 0.000921 -0.023610 -0.010832 1Rh 3px 0.002412 -0.003530 0.004647 -0.000252 -0.009170 0.001494 1Rh 3py -0.012047 -0.001219 0.000477 0.000116 0.009884 -0.025978 1Rh 4pz 0.000990 -0.019036 -0.003683 0.001371 -0.039660 -0.018064 1Rh 4px 0.003922 -0.005742 0.010381 -0.000794 -0.015415 0.002334 1Rh 4py -0.019637 -0.001991 0.001676 -0.000019 0.016906 -0.043865 1Rh 5pz -0.000141 0.000297 0.000603 0.000154 0.003686 0.001491 1Rh 5px -0.000073 0.000145 -0.002191 0.000346 0.001526 -0.000108 1Rh 5py 0.000451 0.000029 -0.000847 0.000147 -0.002190 0.004795 1Rh 6pz -0.000160 0.004368 0.000762 -0.001862 0.016644 0.006085 1Rh 6px -0.001314 0.000715 -0.006179 -0.000461 0.004978 -0.001448 1Rh 6py 0.005453 -0.000133 0.003582 0.001312 -0.003549 0.011259 1Rh 1dz2 -0.000080 0.000641 -0.006553 0.014130 -0.004902 -0.002249 1Rh 1dxz -0.000039 -0.001123 -0.011393 -0.000789 0.006907 0.003086 1Rh 1dyz 0.000401 -0.000312 0.002491 0.032725 0.001473 -0.002508 1Rh 1dx2y2 0.000556 -0.000377 0.017971 0.003338 0.003704 -0.001229 1Rh 1dxy -0.001298 -0.000242 0.008488 0.012202 -0.003040 0.006982 1Rh 2dz2 -0.000003 0.000007 0.000126 -0.000228 0.000102 0.000053 1Rh 2dxz 0.000002 -0.000013 0.000233 -0.000003 -0.000163 -0.000075 1Rh 2dyz 0.000004 -0.000004 -0.000047 -0.000549 -0.000062 0.000049 1Rh 2dx2y2 0.000008 -0.000003 -0.000369 -0.000065 -0.000087 0.000033 1Rh 2dxy -0.000020 -0.000001 -0.000169 -0.000202 0.000062 -0.000187 1Rh 3dz2 0.000125 -0.000930 0.009220 -0.019878 0.006920 0.003154 1Rh 3dxz 0.000047 0.001639 0.015979 0.001233 -0.009710 -0.004337 1Rh 3dyz -0.000581 0.000455 -0.003484 -0.046032 -0.001989 0.003555 1Rh 3dx2y2 -0.000814 0.000544 -0.025136 -0.004740 -0.005198 0.001720 1Rh 3dxy 0.001914 0.000344 -0.011904 -0.017204 0.004307 -0.009748 1Rh 4dz2 0.000123 -0.001142 0.012988 -0.027769 0.009528 0.004407 1Rh 4dxz 0.000091 0.001967 0.022746 0.001378 -0.013502 -0.006019 1Rh 4dyz -0.000733 0.000551 -0.005040 -0.064557 -0.003098 0.004882 1Rh 4dx2y2 -0.000984 0.000687 -0.036005 -0.006710 -0.007294 0.002482 1Rh 4dxy 0.002254 0.000446 -0.016899 -0.024115 0.005977 -0.013921 1Rh 5dz2 0.000285 -0.001372 0.009470 -0.022714 0.007892 0.003476 1Rh 5dxz 0.000020 0.002661 0.016832 0.001445 -0.010961 -0.004906 1Rh 5dyz -0.000689 0.000800 -0.004041 -0.051797 -0.001956 0.003810 1Rh 5dx2y2 -0.001224 0.000726 -0.026878 -0.004623 -0.005834 0.001633 1Rh 5dxy 0.003080 0.000489 -0.012923 -0.018970 0.004559 -0.010343 1Rh 1f0 0.000954 -0.000320 0.000304 -0.000318 -0.001523 0.001911 1Rh 1f+1 0.000140 0.000277 -0.000223 0.000532 0.000736 0.000700 1Rh 1f-1 0.001090 0.001359 -0.000087 -0.000555 0.001653 0.004038 1Rh 1f+2 0.000553 -0.001320 -0.000468 -0.000247 -0.003485 -0.000478 1Rh 1f-2 0.001124 0.000062 0.000008 0.000974 -0.001459 0.002802 1Rh 1f+3 -0.000628 0.000645 -0.000541 -0.000065 0.002294 -0.001132 1Rh 1f-3 0.000370 -0.000087 -0.000402 -0.000520 -0.000754 0.001475 2C 1s -0.029527 -0.053217 -0.013926 0.017580 0.010013 0.016150 2C 2s -0.063264 -0.114019 -0.030037 0.037933 0.021619 0.034857 2C 3s 0.096159 0.173266 0.043789 -0.055263 -0.032232 -0.051689 2C 4s 0.115015 0.207483 0.079834 -0.101212 -0.052822 -0.086937 2C 5s 0.013899 0.023834 -0.023441 0.010189 0.004072 0.007952 2C 1pz 0.008725 0.015781 -0.041630 0.056693 0.037335 0.060157 2C 1px 0.000938 0.001725 -0.009604 0.013148 0.009335 0.013946 2C 1py 0.006139 0.010954 -0.027731 0.037827 0.023572 0.041571 2C 2pz 0.007384 0.013806 -0.023115 0.030996 0.024148 0.037611 2C 2px 0.000364 0.000977 -0.005606 0.007609 0.005853 0.007943 2C 2py 0.005531 0.009255 -0.015151 0.020417 0.014374 0.026633 2C 3pz 0.000798 0.000181 -0.015746 0.015494 0.008433 0.014828 2C 3px 0.001643 0.001946 -0.004381 0.005298 0.004802 0.010349 2C 3py -0.000223 0.001493 -0.010168 0.009801 0.005985 0.008311 2C 1dz2 0.000495 0.000942 -0.001746 0.002389 0.001649 0.002586 2C 1dxz 0.000217 0.000399 -0.000875 0.001199 0.000824 0.001324 2C 1dyz 0.000822 0.001453 -0.002614 0.003577 0.002374 0.003985 2C 1dx2y2 -0.000259 -0.000432 0.000814 -0.001106 -0.000701 -0.001249 2C 1dxy 0.000165 0.000332 -0.000511 0.000705 0.000540 0.000743 2C 2dz2 0.001105 0.002151 0.000190 -0.000505 0.000565 0.000274 2C 2dxz 0.000546 0.001013 -0.000118 0.000096 0.000761 0.001296 2C 2dyz 0.001595 0.002848 -0.000008 -0.000371 0.000420 0.000790 2C 2dx2y2 -0.000553 -0.000915 0.000471 -0.000532 -0.000753 -0.001539 2C 2dxy 0.000239 0.000418 -0.000154 0.000144 0.000266 0.000337 2C 1f0 0.000561 0.001085 0.000417 -0.000531 -0.000224 -0.000535 2C 1f+1 0.000349 0.000668 0.000154 -0.000188 0.000028 -0.000082 2C 1f-1 0.001401 0.002537 0.000589 -0.000738 -0.000255 -0.000418 2C 1f+2 -0.001498 -0.002642 -0.000821 0.001053 0.000596 0.000835 2C 1f-2 0.001368 0.002473 0.000821 -0.001053 -0.000533 -0.000888 2C 1f+3 -0.000842 -0.001523 -0.000634 0.000839 0.000536 0.000899 2C 1f-3 -0.000060 -0.000130 -0.000080 0.000111 0.000070 0.000159 3C 1s 0.053345 -0.030259 -0.018057 -0.013469 0.015772 -0.011380 3C 2s 0.114319 -0.064849 -0.038981 -0.029086 0.034069 -0.024586 3C 3s -0.174555 0.099017 0.057466 0.042895 -0.051166 0.036803 3C 4s -0.204746 0.116200 0.100829 0.075250 -0.081927 0.060000 3C 5s -0.030628 0.018095 -0.025192 -0.002969 0.004419 -0.003688 3C 1pz -0.010751 0.006155 -0.030698 -0.024839 0.034143 -0.023388 3C 1px -0.005218 0.002968 -0.020975 -0.016767 0.022354 -0.016343 3C 1py 0.015338 -0.008658 0.054455 0.043821 -0.057893 0.043984 3C 2pz -0.009279 0.005722 -0.016861 -0.013543 0.022872 -0.014391 3C 2px -0.003644 0.002166 -0.012088 -0.009541 0.014090 -0.010065 3C 2py 0.013042 -0.007202 0.030535 0.024345 -0.036606 0.027794 3C 3pz -0.000067 -0.001138 -0.010023 -0.004979 0.003240 -0.004033 3C 3px -0.002341 0.001325 -0.008717 -0.005310 0.008327 -0.006002 3C 3py 0.001604 -0.001684 0.020416 0.012000 -0.016235 0.011741 3C 1dz2 0.000311 -0.000138 0.000628 0.000503 -0.000628 0.000615 3C 1dxz -0.000477 0.000280 -0.001156 -0.000936 0.001304 -0.000933 3C 1dyz 0.001433 -0.000822 0.002846 0.002309 -0.003187 0.002331 3C 1dx2y2 0.000922 -0.000517 0.002240 0.001814 -0.002492 0.001837 3C 1dxy 0.000855 -0.000489 0.001932 0.001559 -0.002157 0.001573 3C 2dz2 0.000348 -0.000161 0.000025 -0.000012 0.000075 0.000212 3C 2dxz -0.001349 0.000814 -0.000179 -0.000058 0.000843 -0.000373 3C 2dyz 0.001694 -0.000993 0.000421 0.000132 -0.000999 0.000450 3C 2dx2y2 0.002014 -0.001109 0.000314 0.000143 -0.001651 0.001186 3C 2dxy 0.001680 -0.000988 0.000191 0.000005 -0.001074 0.000601 3C 1f0 0.000252 -0.000142 0.000180 0.000160 -0.000379 0.000258 3C 1f+1 -0.000415 0.000251 0.000195 0.000143 -0.000158 0.000153 3C 1f-1 -0.000869 0.000452 0.000512 0.000394 -0.000560 0.000275 3C 1f+2 0.003467 -0.001972 -0.001432 -0.001081 0.001147 -0.000860 3C 1f-2 0.002661 -0.001530 -0.001062 -0.000795 0.000810 -0.000634 3C 1f+3 -0.001304 0.000731 0.000358 0.000258 -0.000161 0.000082 3C 1f-3 0.000306 -0.000152 -0.000005 0.000018 -0.000127 0.000145 4C 1s -0.010522 -0.018969 0.027359 -0.035460 -0.023248 -0.037438 4C 2s -0.022727 -0.040974 0.059589 -0.077296 -0.050688 -0.081620 4C 3s 0.037535 0.067823 -0.098533 0.129999 0.084550 0.136207 4C 4s 0.039098 0.069673 -0.138083 0.164774 0.115964 0.186601 4C 5s 0.007962 0.013816 0.001056 0.009949 0.014010 0.013310 4C 1pz -0.039546 -0.070500 -0.006130 0.003552 0.003978 -0.000502 4C 1px -0.007945 -0.013900 -0.002803 0.003356 0.005404 0.003097 4C 1py -0.025531 -0.047227 -0.004546 0.003161 -0.001378 0.005098 4C 2pz -0.024589 -0.043908 0.003612 -0.011902 0.000616 -0.004954 4C 2px -0.005467 -0.009131 0.002001 -0.002599 0.000963 -0.001478 4C 2py -0.015822 -0.029589 0.003253 -0.008492 -0.003485 -0.000902 4C 3pz 0.001753 0.004557 -0.016286 0.012813 0.015164 0.018908 4C 3px -0.000529 0.001328 -0.001188 -0.000250 0.001427 -0.004928 4C 3py 0.003455 0.001859 -0.010761 0.007956 0.006758 0.013555 4C 1dz2 0.001275 0.002216 0.000854 -0.001025 -0.000218 -0.000470 4C 1dxz 0.000886 0.001561 0.001643 -0.001890 -0.000861 -0.001494 4C 1dyz 0.001528 0.002805 -0.000388 0.000400 0.000731 0.001221 4C 1dx2y2 -0.000949 -0.001776 -0.002537 0.002925 0.001563 0.002406 4C 1dxy 0.000134 0.000239 -0.001160 0.001384 0.000928 0.001455 4C 2dz2 0.001557 0.004071 -0.000639 0.001506 0.001493 0.000840 4C 2dxz 0.000929 0.002443 0.001874 -0.000995 -0.000678 -0.001124 4C 2dyz 0.002370 0.003472 -0.003499 0.004988 0.002123 0.004516 4C 2dx2y2 -0.002271 -0.003226 -0.002680 0.002171 0.002058 0.001240 4C 2dxy -0.000210 -0.000320 -0.002245 0.002452 0.001337 0.001955 4C 1f0 -0.000053 -0.000036 0.000944 -0.001121 -0.000637 -0.001054 4C 1f+1 0.000009 0.000008 0.002007 -0.002345 -0.001535 -0.002240 4C 1f-1 -0.000667 -0.001177 0.001466 -0.001952 -0.001027 -0.001753 4C 1f+2 0.000151 0.000337 -0.002071 0.002488 0.001565 0.002243 4C 1f-2 -0.000313 -0.000456 0.000503 -0.000655 -0.000241 -0.000719 4C 1f+3 -0.000053 -0.000199 -0.000025 -0.000038 -0.000148 0.000055 4C 1f-3 0.000132 0.000317 0.001496 -0.001738 -0.000988 -0.001776 5C 1s 0.019156 -0.010855 0.035377 0.027107 -0.036438 0.026367 5C 2s 0.041374 -0.023446 0.077077 0.059106 -0.079450 0.057488 5C 3s -0.067696 0.038372 -0.128325 -0.100021 0.132960 -0.095918 5C 4s -0.074633 0.042317 -0.173078 -0.122292 0.179312 -0.131614 5C 5s -0.011480 0.006385 -0.000777 -0.009811 0.015755 -0.010676 5C 1pz 0.041596 -0.022906 -0.004561 -0.001895 0.005341 0.003153 5C 1px 0.026699 -0.015031 -0.002932 -0.000572 0.000884 0.000387 5C 1py -0.070476 0.040456 0.008778 0.003543 -0.002894 0.004578 5C 2pz 0.026209 -0.014307 0.003974 0.005632 0.000932 0.004811 5C 2px 0.016610 -0.009211 0.001245 0.003430 0.000520 0.000028 5C 2py -0.044577 0.025543 -0.005560 -0.009038 0.002492 -0.000778 5C 3pz -0.003341 0.004418 -0.013451 -0.006330 0.014502 -0.006690 5C 3px -0.003179 0.001675 -0.004747 -0.001044 0.005091 -0.005507 5C 3py 0.007481 -0.003128 0.020055 0.008163 -0.015603 0.014481 5C 1dz2 0.000143 -0.000115 0.001931 0.001305 -0.001685 0.001315 5C 1dxz -0.001532 0.000856 0.002121 0.001453 -0.001451 0.001083 5C 1dyz 0.002267 -0.001264 0.001193 0.000809 -0.001740 0.001164 5C 1dx2y2 0.002695 -0.001562 -0.002988 -0.002046 0.002002 -0.001389 5C 1dxy 0.001967 -0.001123 -0.000851 -0.000632 0.000261 -0.000186 5C 2dz2 0.000337 0.000461 0.003483 0.002090 -0.001926 0.002697 5C 2dxz -0.002269 0.001593 0.001492 0.000701 -0.000589 0.000672 5C 2dyz 0.002690 -0.001850 0.004774 0.003628 -0.004087 0.002489 5C 2dx2y2 0.004289 -0.001898 -0.002011 -0.000361 0.000868 0.000181 5C 2dxy 0.003106 -0.001712 0.001243 0.001441 -0.001309 0.001535 5C 1f0 -0.000898 0.000492 -0.000138 -0.000219 0.000076 -0.000203 5C 1f+1 -0.000227 0.000097 0.001503 0.001008 -0.001370 0.000828 5C 1f-1 -0.000068 -0.000029 -0.000296 -0.000197 0.000151 -0.000326 5C 1f+2 -0.000791 0.000497 -0.001206 -0.000929 0.001150 -0.000640 5C 1f-2 -0.000539 0.000277 -0.002402 -0.001742 0.002075 -0.001555 5C 1f+3 0.000504 -0.000289 0.002613 0.001852 -0.002261 0.001662 5C 1f-3 -0.000042 -0.000000 -0.002452 -0.001700 0.002116 -0.001651 6C 1s -0.019581 0.010779 0.035317 0.027103 0.036439 -0.026411 6C 2s -0.042292 0.023282 0.076946 0.059098 0.079454 -0.057584 6C 3s 0.069204 -0.038106 -0.128106 -0.100016 -0.132965 0.096089 6C 4s 0.076209 -0.042010 -0.172772 -0.122232 -0.179333 0.131777 6C 5s 0.011779 -0.006165 -0.000770 -0.009827 -0.015836 0.010706 6C 1pz 0.042471 -0.022721 0.004566 0.001952 0.005409 0.003108 6C 1px 0.027274 -0.014918 0.002936 0.000582 0.000772 0.000442 6C 1py -0.071979 0.040143 -0.008776 -0.003542 -0.002941 0.004596 6C 2pz 0.026759 -0.014199 -0.003989 -0.005603 0.000949 0.004807 6C 2px 0.016976 -0.009145 -0.001230 -0.003417 0.000493 0.000095 6C 2py -0.045522 0.025365 0.005571 0.009045 0.002471 -0.000803 6C 3pz -0.003343 0.004459 0.013337 0.006360 0.014487 -0.006710 6C 3px -0.003187 0.001707 0.004690 0.001024 0.005061 -0.005428 6C 3py 0.007470 -0.003242 -0.019957 -0.008206 -0.015676 0.014539 6C 1dz2 -0.000148 0.000115 0.001926 0.001302 0.001682 -0.001314 6C 1dxz 0.001565 -0.000849 0.002122 0.001454 0.001457 -0.001089 6C 1dyz -0.002315 0.001254 0.001190 0.000809 0.001743 -0.001167 6C 1dx2y2 -0.002749 0.001547 -0.002986 -0.002045 -0.002000 0.001390 6C 1dxy -0.002011 0.001115 -0.000850 -0.000632 -0.000266 0.000190 6C 2dz2 -0.000338 -0.000461 0.003487 0.002089 0.001944 -0.002702 6C 2dxz 0.002304 -0.001585 0.001487 0.000693 0.000578 -0.000673 6C 2dyz -0.002751 0.001844 0.004763 0.003623 0.004079 -0.002493 6C 2dx2y2 -0.004368 0.001891 -0.002008 -0.000374 -0.000883 -0.000179 6C 2dxy -0.003149 0.001697 0.001269 0.001459 0.001342 -0.001559 6C 1f0 -0.000915 0.000488 0.000140 0.000220 0.000077 -0.000204 6C 1f+1 -0.000231 0.000097 -0.001502 -0.001009 -0.001371 0.000829 6C 1f-1 -0.000069 -0.000028 0.000294 0.000195 0.000150 -0.000325 6C 1f+2 -0.000809 0.000493 0.001203 0.000929 0.001148 -0.000641 6C 1f-2 -0.000554 0.000275 0.002399 0.001741 0.002076 -0.001560 6C 1f+3 0.000518 -0.000287 -0.002609 -0.001851 -0.002262 0.001664 6C 1f-3 -0.000046 -0.000000 0.002449 0.001699 0.002117 -0.001654 7C 1s 0.010982 0.019514 0.027234 -0.035232 0.023434 0.037606 7C 2s 0.023722 0.042153 0.059317 -0.076799 0.051094 0.081985 7C 3s -0.039175 -0.069770 -0.098094 0.129173 -0.085234 -0.136829 7C 4s -0.040790 -0.071656 -0.137404 0.163632 -0.116843 -0.187368 7C 5s -0.008345 -0.014169 0.001089 0.010017 -0.014226 -0.013431 7C 1pz -0.041123 -0.072292 0.006036 -0.003452 0.003931 -0.000593 7C 1px -0.008212 -0.014177 0.002826 -0.003399 0.005469 0.003287 7C 1py -0.026756 -0.048733 0.004588 -0.003182 -0.001339 0.005143 7C 2pz -0.025568 -0.045015 -0.003653 0.011932 0.000546 -0.005092 7C 2px -0.005632 -0.009313 -0.002007 0.002564 0.000930 -0.001410 7C 2py -0.016572 -0.030505 -0.003243 0.008496 -0.003514 -0.000960 7C 3pz 0.001735 0.004598 0.016124 -0.012682 0.015170 0.019012 7C 3px -0.000470 0.001419 0.001091 0.000384 0.001308 -0.005032 7C 3py 0.003435 0.001849 0.010708 -0.007846 0.006695 0.013585 7C 1dz2 -0.001318 -0.002261 0.000859 -0.001030 0.000230 0.000486 7C 1dxz -0.000917 -0.001592 0.001638 -0.001881 0.000872 0.001499 7C 1dyz -0.001599 -0.002891 -0.000388 0.000396 -0.000737 -0.001226 7C 1dx2y2 0.000996 0.001833 -0.002526 0.002906 -0.001576 -0.002417 7C 1dxy -0.000140 -0.000247 -0.001154 0.001375 -0.000936 -0.001466 7C 2dz2 -0.001612 -0.004128 -0.000624 0.001489 -0.001492 -0.000828 7C 2dxz -0.000961 -0.002474 0.001876 -0.000995 0.000701 0.001143 7C 2dyz -0.002456 -0.003582 -0.003497 0.004988 -0.002159 -0.004564 7C 2dx2y2 0.002323 0.003284 -0.002651 0.002137 -0.002060 -0.001230 7C 2dxy 0.000198 0.000301 -0.002225 0.002437 -0.001344 -0.001960 7C 1f0 -0.000051 -0.000033 -0.000933 0.001103 -0.000638 -0.001050 7C 1f+1 0.000006 0.000005 -0.001989 0.002321 -0.001541 -0.002239 7C 1f-1 -0.000697 -0.001213 -0.001459 0.001941 -0.001036 -0.001762 7C 1f+2 0.000168 0.000360 0.002065 -0.002479 0.001582 0.002260 7C 1f-2 -0.000324 -0.000468 -0.000504 0.000654 -0.000246 -0.000724 7C 1f+3 -0.000059 -0.000207 0.000028 0.000035 -0.000145 0.000058 7C 1f-3 0.000132 0.000316 -0.001497 0.001738 -0.001003 -0.001795 8C 1s -0.054485 0.030026 -0.018032 -0.013468 -0.015774 0.011403 8C 2s -0.116762 0.064350 -0.038926 -0.029084 -0.034075 0.024636 8C 3s 0.178283 -0.098257 0.057380 0.042895 0.051176 -0.036874 8C 4s 0.209114 -0.115286 0.100710 0.075226 0.081929 -0.060129 8C 5s 0.031148 -0.018179 -0.025031 -0.002975 -0.004353 0.003668 8C 1pz -0.010978 0.006106 0.030643 0.024838 0.034145 -0.023435 8C 1px -0.005312 0.002936 0.020955 0.016774 0.022337 -0.016366 8C 1py 0.015693 -0.008606 -0.054340 -0.043782 -0.057868 0.044040 8C 2pz -0.009472 0.005674 0.016809 0.013548 0.022853 -0.014402 8C 2px -0.003726 0.002143 0.012061 0.009541 0.014052 -0.010056 8C 2py 0.013364 -0.007156 -0.030451 -0.024321 -0.036596 0.027826 8C 3pz -0.000050 -0.001096 0.010027 0.004986 0.003292 -0.004067 8C 3px -0.002328 0.001324 0.008755 0.005377 0.008458 -0.006111 8C 3py 0.001628 -0.001738 -0.020316 -0.011967 -0.016151 0.011695 8C 1dz2 -0.000317 0.000137 0.000627 0.000502 0.000627 -0.000616 8C 1dxz 0.000488 -0.000278 -0.001154 -0.000936 -0.001303 0.000936 8C 1dyz -0.001462 0.000815 0.002841 0.002308 0.003187 -0.002335 8C 1dx2y2 -0.000940 0.000511 0.002236 0.001814 0.002493 -0.001840 8C 1dxy -0.000873 0.000485 0.001930 0.001560 0.002156 -0.001575 8C 2dz2 -0.000355 0.000154 0.000033 -0.000007 -0.000068 -0.000219 8C 2dxz 0.001365 -0.000801 -0.000188 -0.000067 -0.000853 0.000384 8C 2dyz -0.001758 0.000989 0.000404 0.000123 0.000988 -0.000438 8C 2dx2y2 -0.002065 0.001104 0.000300 0.000135 0.001634 -0.001174 8C 2dxy -0.001714 0.000978 0.000190 0.000009 0.001081 -0.000603 8C 1f0 0.000248 -0.000136 -0.000183 -0.000163 -0.000382 0.000261 8C 1f+1 -0.000384 0.000226 -0.000176 -0.000128 -0.000139 0.000140 8C 1f-1 -0.000878 0.000444 -0.000506 -0.000391 -0.000556 0.000273 8C 1f+2 0.003530 -0.001951 0.001424 0.001076 0.001141 -0.000857 8C 1f-2 0.002749 -0.001535 0.001077 0.000807 0.000826 -0.000648 8C 1f+3 -0.001315 0.000715 -0.000349 -0.000250 -0.000152 0.000076 8C 1f-3 0.000332 -0.000161 0.000016 -0.000010 -0.000118 0.000137 9C 1s 0.030781 0.054686 -0.013866 0.017475 -0.010103 -0.016227 9C 2s 0.065950 0.117165 -0.029909 0.037706 -0.021813 -0.035022 9C 3s -0.100239 -0.178045 0.043595 -0.054918 0.032512 0.051922 9C 4s -0.119893 -0.213188 0.079521 -0.100676 0.053347 0.087406 9C 5s -0.014375 -0.024511 -0.023326 0.010057 -0.003975 -0.008017 9C 1pz 0.009103 0.016226 0.041343 -0.056209 0.037573 0.060289 9C 1px 0.000968 0.001755 0.009512 -0.013003 0.009368 0.013964 9C 1py 0.006393 0.011248 0.027777 -0.037813 0.023930 0.041984 9C 2pz 0.007726 0.014219 0.022941 -0.030691 0.024294 0.037682 9C 2px 0.000397 0.001015 0.005559 -0.007534 0.005874 0.007949 9C 2py 0.005732 0.009480 0.015182 -0.020396 0.014575 0.026846 9C 3pz 0.000791 0.000184 0.015606 -0.015271 0.008368 0.014730 9C 3px 0.001642 0.001945 0.004357 -0.005284 0.004855 0.010439 9C 3py -0.000155 0.001622 0.010194 -0.009839 0.006157 0.008572 9C 1dz2 -0.000512 -0.000959 -0.001725 0.002356 -0.001651 -0.002577 9C 1dxz -0.000221 -0.000399 -0.000866 0.001185 -0.000826 -0.001323 9C 1dyz -0.000858 -0.001496 -0.002611 0.003566 -0.002401 -0.004016 9C 1dx2y2 0.000269 0.000445 0.000823 -0.001115 0.000720 0.001270 9C 1dxy -0.000176 -0.000347 -0.000507 0.000699 -0.000544 -0.000745 9C 2dz2 -0.001156 -0.002209 0.000194 -0.000515 -0.000553 -0.000246 9C 2dxz -0.000574 -0.001052 -0.000105 0.000077 -0.000748 -0.001275 9C 2dyz -0.001675 -0.002946 -0.000003 -0.000384 -0.000429 -0.000788 9C 2dx2y2 0.000590 0.000969 0.000454 -0.000502 0.000755 0.001531 9C 2dxy -0.000241 -0.000414 -0.000158 0.000150 -0.000275 -0.000349 9C 1f0 0.000578 0.001100 -0.000412 0.000524 -0.000227 -0.000537 9C 1f+1 0.000370 0.000695 -0.000156 0.000192 0.000024 -0.000089 9C 1f-1 0.001448 0.002585 -0.000580 0.000725 -0.000251 -0.000413 9C 1f+2 -0.001599 -0.002784 0.000843 -0.001080 0.000619 0.000869 9C 1f-2 0.001407 0.002507 -0.000805 0.001030 -0.000528 -0.000876 9C 1f+3 -0.000857 -0.001530 0.000619 -0.000817 0.000531 0.000887 9C 1f-3 -0.000103 -0.000205 0.000108 -0.000146 0.000094 0.000197 10H 1s 0.023492 0.042344 0.022297 -0.029152 -0.017542 -0.028976 10H 2s 0.025149 0.045300 0.027016 -0.034973 -0.020323 -0.033505 10H 3s 0.002660 0.005238 0.010181 -0.013089 -0.009751 -0.017694 10H 1pz 0.001951 0.003508 0.000251 -0.000265 -0.000039 -0.000119 10H 1px -0.002794 -0.005026 -0.002823 0.003709 0.002181 0.003518 10H 1py 0.000681 0.001215 -0.000382 0.000542 0.000342 0.000680 11H 1s 0.024148 0.043474 0.022257 -0.029118 -0.018311 -0.028436 11H 2s 0.025631 0.046364 0.026841 -0.034750 -0.021572 -0.034221 11H 3s 0.005032 0.008315 0.009087 -0.010557 -0.005737 -0.007139 11H 1pz 0.002293 0.004214 0.000436 -0.000491 -0.000249 -0.000366 11H 1px 0.002214 0.004035 0.001650 -0.002153 -0.001370 -0.002213 11H 1py -0.001426 -0.002565 -0.002388 0.003196 0.002022 0.003342 12H 1s 0.023914 0.043132 0.022483 -0.029458 -0.017629 -0.029713 12H 2s 0.025582 0.046150 0.027713 -0.035894 -0.021321 -0.035928 12H 3s 0.004281 0.008535 0.009323 -0.011478 -0.005970 -0.011013 12H 1pz -0.000573 -0.001057 -0.002196 0.002954 0.001871 0.003076 12H 1px 0.001466 0.002626 0.001020 -0.001323 -0.000798 -0.001408 12H 1py 0.003161 0.005655 0.001876 -0.002417 -0.001445 -0.002328 13H 1s -0.042519 0.024114 0.029125 0.022586 -0.028542 0.020507 13H 2s -0.046446 0.026366 0.035681 0.027453 -0.033577 0.024549 13H 3s -0.004223 0.001996 0.012697 0.009416 -0.015725 0.010411 13H 1pz -0.004351 0.002478 0.001680 0.001283 -0.001427 0.001103 13H 1px 0.004182 -0.002377 -0.003451 -0.002700 0.003311 -0.002422 13H 1py 0.002462 -0.001400 0.000388 0.000343 -0.000477 0.000415 14H 1s -0.043010 0.024386 0.029013 0.022417 -0.028307 0.020081 14H 2s -0.046054 0.026091 0.035159 0.026849 -0.033187 0.023595 14H 3s -0.007268 0.003694 0.011820 0.008669 -0.011619 0.007725 14H 1pz -0.003352 0.001914 0.000997 0.000741 -0.000760 0.000569 14H 1px -0.005382 0.003066 0.002750 0.002110 -0.002618 0.001853 14H 1py -0.000675 0.000375 0.002513 0.001996 -0.002557 0.001929 15H 1s -0.043747 0.024846 0.028830 0.022232 -0.027253 0.020856 15H 2s -0.046618 0.026338 0.034624 0.026376 -0.032631 0.024665 15H 3s -0.008173 0.005092 0.010679 0.007129 -0.005888 0.005475 15H 1pz 0.003872 -0.002188 -0.003795 -0.002981 0.003903 -0.002875 15H 1px -0.001243 0.000689 -0.000032 -0.000047 0.000061 -0.000032 15H 1py 0.005106 -0.002845 -0.001064 -0.000755 0.000850 -0.000613 16H 1s 0.000033 -0.000352 -0.000937 -0.006427 -0.032692 -0.012272 16H 2s -0.000163 -0.000428 0.000946 -0.009201 -0.038068 -0.014966 16H 3s -0.000341 -0.000644 -0.001626 -0.003042 -0.011632 -0.006811 16H 1pz -0.000019 -0.000018 -0.000099 -0.000489 -0.002250 -0.000985 16H 1px 0.000012 0.000062 -0.000574 0.000730 0.001917 0.000901 16H 1py 0.000036 -0.000001 -0.000181 -0.000355 -0.002691 -0.000385 17H 1s -0.000106 0.000343 -0.001902 0.006813 0.033759 0.009431 17H 2s -0.000228 0.000280 0.000306 0.008791 0.039306 0.010148 17H 3s -0.000510 0.000465 -0.001704 0.003178 0.012267 0.000631 17H 1pz 0.000007 0.000020 0.000389 -0.000058 -0.000191 0.000055 17H 1px 0.000032 -0.000040 -0.000380 -0.000703 -0.002951 -0.000489 17H 1py 0.000041 0.000021 -0.000319 0.000457 0.002751 0.001355 18H 1s 0.000093 -0.000353 -0.001874 0.006669 -0.033449 -0.010432 18H 2s 0.000207 -0.000292 0.000313 0.008547 -0.038941 -0.011313 18H 3s 0.000480 -0.000475 -0.001700 0.003096 -0.012194 -0.001004 18H 1pz 0.000007 0.000019 -0.000395 0.000080 -0.000279 0.000015 18H 1px 0.000028 -0.000041 0.000377 0.000685 -0.002949 -0.000588 18H 1py 0.000043 0.000022 0.000312 -0.000427 0.002694 0.001441 19H 1s -0.000020 0.000351 -0.000971 -0.006269 0.032326 0.013259 19H 2s 0.000183 0.000441 0.000887 -0.009081 0.037712 0.016126 19H 3s 0.000366 0.000658 -0.001652 -0.002998 0.011505 0.007163 19H 1pz -0.000022 -0.000018 0.000103 0.000466 -0.002152 -0.001039 19H 1px 0.000014 0.000065 0.000569 -0.000732 0.001935 0.000969 19H 1py 0.000034 -0.000003 0.000190 0.000363 -0.002709 -0.000489 20H 1s 0.044679 -0.024653 0.028782 0.022220 0.027247 -0.020886 20H 2s 0.047629 -0.026133 0.034561 0.026360 0.032608 -0.024690 20H 3s 0.008338 -0.005052 0.010681 0.007135 0.005921 -0.005517 20H 1pz 0.003963 -0.002174 0.003790 0.002982 0.003903 -0.002880 20H 1px -0.001317 0.000710 0.000004 0.000026 0.000032 -0.000010 20H 1py 0.005202 -0.002816 0.001053 0.000748 0.000838 -0.000606 21H 1s 0.043934 -0.024201 0.028963 0.022412 0.028295 -0.020107 21H 2s 0.047055 -0.025899 0.035119 0.026854 0.033194 -0.023645 21H 3s 0.007384 -0.003639 0.011728 0.008615 0.011479 -0.007645 21H 1pz -0.003457 0.001919 -0.001019 -0.000758 -0.000781 0.000585 21H 1px -0.005479 0.003032 -0.002734 -0.002100 -0.002608 0.001849 21H 1py -0.000704 0.000379 -0.002519 -0.002004 -0.002569 0.001940 22H 1s 0.043418 -0.023924 0.029078 0.022582 0.028550 -0.020555 22H 2s 0.047414 -0.026154 0.035616 0.027443 0.033583 -0.024599 22H 3s 0.004361 -0.001987 0.012691 0.009447 0.015767 -0.010477 22H 1pz -0.004411 0.002442 -0.001659 -0.001268 -0.001411 0.001093 22H 1px 0.004284 -0.002366 0.003452 0.002705 0.003315 -0.002430 22H 1py 0.002540 -0.001404 -0.000370 -0.000328 -0.000459 0.000403 23H 1s -0.024940 -0.044340 0.022381 -0.029270 0.017772 0.029843 23H 2s -0.026671 -0.047421 0.027581 -0.035656 0.021504 0.036095 23H 3s -0.004501 -0.008816 0.009269 -0.011362 0.005927 0.010938 23H 1pz -0.000612 -0.001111 0.002197 -0.002951 0.001898 0.003110 23H 1px 0.001480 0.002612 -0.000972 0.001257 -0.000771 -0.001357 23H 1py 0.003314 0.005845 -0.001877 0.002416 -0.001466 -0.002357 24H 1s -0.025160 -0.044652 0.022165 -0.028952 0.018476 0.028596 24H 2s -0.026722 -0.047634 0.026728 -0.034549 0.021756 0.034393 24H 3s -0.005187 -0.008475 0.009077 -0.010545 0.005856 0.007290 24H 1pz 0.002381 0.004310 -0.000429 0.000482 -0.000247 -0.000361 24H 1px 0.002345 0.004209 -0.001673 0.002178 -0.001406 -0.002263 24H 1py -0.001458 -0.002585 0.002357 -0.003150 0.002019 0.003327 25H 1s -0.024494 -0.043521 0.022200 -0.028973 0.017705 0.029095 25H 2s -0.026220 -0.046559 0.026919 -0.034787 0.020533 0.033669 25H 3s -0.002828 -0.005418 0.010141 -0.013028 0.009859 0.017815 25H 1pz 0.002050 0.003635 -0.000268 0.000288 -0.000054 -0.000140 25H 1px -0.002906 -0.005155 0.002805 -0.003679 0.002197 0.003525 25H 1py 0.000680 0.001197 0.000412 -0.000579 0.000369 0.000720 26O 1s 0.006237 0.011236 -0.012403 0.016792 0.012170 0.019438 26O 2s 0.014909 0.026860 -0.029598 0.040150 0.029126 0.046525 26O 3s -0.022748 -0.041007 0.042994 -0.059483 -0.043666 -0.069840 26O 4s -0.028771 -0.051688 0.073275 -0.094982 -0.065582 -0.104308 26O 5s -0.021470 -0.039106 0.049701 -0.069800 -0.064270 -0.101499 26O 1pz -0.011713 -0.019798 0.022962 -0.031216 -0.010487 -0.024721 26O 1px -0.002669 -0.004004 0.071822 -0.091554 -0.062463 -0.101873 26O 1py -0.006592 -0.013983 0.041144 -0.053716 -0.037880 -0.047678 26O 2pz -0.010562 -0.017895 0.020400 -0.027229 -0.009641 -0.022279 26O 2px -0.002113 -0.003122 0.054783 -0.069419 -0.047091 -0.077188 26O 2py -0.005964 -0.012611 0.033070 -0.042887 -0.030481 -0.037735 26O 3pz -0.004781 -0.008994 0.002327 -0.005601 -0.005380 -0.014527 26O 3px 0.000106 -0.000004 0.018432 -0.030013 -0.018652 -0.032630 26O 3py -0.003209 -0.005128 0.009185 -0.014679 -0.013575 -0.018727 26O 1dz2 -0.000002 0.000075 0.001191 -0.001518 -0.000820 -0.001410 26O 1dxz 0.000411 0.000736 -0.000294 0.000423 0.000203 0.000427 26O 1dyz 0.000283 0.000456 -0.000020 -0.000088 0.000136 0.000361 26O 1dx2y2 -0.000142 -0.000250 -0.001306 0.001577 0.001058 0.001710 26O 1dxy 0.000194 0.000412 -0.001319 0.001600 0.001199 0.001730 26O 2dz2 -0.000179 -0.000244 0.002736 -0.003983 -0.002205 -0.004130 26O 2dxz 0.001213 0.002268 0.000730 -0.000316 -0.000665 -0.001053 26O 2dyz 0.000168 0.000266 0.001607 -0.002306 -0.001832 -0.002727 26O 2dx2y2 -0.000574 -0.000915 -0.003006 0.003830 0.002515 0.003868 26O 2dxy 0.000500 0.000850 -0.001810 0.002638 0.001352 0.001963 26O 1f0 0.000193 0.000360 -0.000195 0.000267 0.000159 0.000279 26O 1f+1 -0.000169 -0.000298 -0.000226 0.000305 0.000242 0.000298 26O 1f-1 -0.000097 -0.000175 -0.000017 -0.000166 0.000027 -0.000044 26O 1f+2 -0.000101 -0.000178 0.000033 -0.000006 0.000022 -0.000064 26O 1f-2 -0.000293 -0.000531 0.000421 -0.000624 -0.000369 -0.000609 26O 1f+3 -0.000216 -0.000380 -0.000056 0.000032 -0.000006 0.000121 26O 1f-3 0.000035 0.000054 -0.000625 0.000856 0.000572 0.000872 27O 1s -0.011312 0.006431 -0.016051 -0.012795 0.018704 -0.013504 27O 2s -0.027037 0.015372 -0.038311 -0.030596 0.044749 -0.032322 27O 3s 0.041119 -0.023402 0.055747 0.045372 -0.066881 0.048477 27O 4s 0.052980 -0.030024 0.094338 0.072255 -0.101311 0.072429 27O 5s 0.041141 -0.023566 0.069430 0.055039 -0.101680 0.076699 27O 1pz 0.012512 -0.005923 0.007943 0.006822 0.003004 0.006473 27O 1px 0.007994 -0.004295 0.101536 0.075714 -0.103294 0.075744 27O 1py -0.019980 0.012125 -0.039645 -0.030920 0.032365 -0.019026 27O 2pz 0.011365 -0.005406 0.008008 0.006704 0.000872 0.006747 27O 2px 0.006137 -0.003228 0.077174 0.057430 -0.078161 0.057165 27O 2py -0.017737 0.010703 -0.033329 -0.025739 0.027800 -0.016049 27O 3pz 0.005587 -0.003569 0.000699 0.000056 -0.002881 0.005973 27O 3px 0.000230 -0.000120 0.025731 0.024439 -0.030344 0.021734 27O 3py -0.008928 0.005134 -0.006700 -0.006904 0.013715 -0.008906 27O 1dz2 0.000256 -0.000096 0.001437 0.001011 -0.001432 0.001151 27O 1dxz -0.000528 0.000283 0.000220 0.000125 -0.000243 0.000054 27O 1dyz 0.000116 -0.000082 -0.000292 -0.000316 -0.000083 0.000030 27O 1dx2y2 0.000115 -0.000049 -0.002407 -0.001743 0.002226 -0.001603 27O 1dxy 0.000824 -0.000484 0.000914 0.000668 -0.001017 0.000696 27O 2dz2 -0.000021 0.000067 0.001703 0.001373 -0.001207 0.001189 27O 2dxz -0.001467 0.000887 0.001754 0.001206 -0.002016 0.001361 27O 2dyz -0.000654 0.000351 -0.001845 -0.001815 0.002336 -0.001851 27O 2dx2y2 0.000492 -0.000235 -0.004726 -0.003920 0.004720 -0.003178 27O 2dxy 0.002014 -0.001130 -0.000569 -0.000060 0.001084 -0.000807 27O 1f0 -0.000338 0.000194 -0.000088 -0.000170 0.000030 -0.000100 27O 1f+1 0.000008 -0.000001 -0.000587 -0.000473 0.000615 -0.000414 27O 1f-1 0.000127 -0.000077 0.000123 0.000073 -0.000146 0.000072 27O 1f+2 0.000178 -0.000101 -0.000193 -0.000247 0.000230 -0.000094 27O 1f-2 -0.000243 0.000136 -0.000229 -0.000228 0.000198 -0.000210 27O 1f+3 0.000480 -0.000274 -0.000285 -0.000165 0.000272 -0.000242 27O 1f-3 0.000463 -0.000258 0.000578 0.000457 -0.000591 0.000401 28O 1s 0.006438 0.011590 -0.012205 0.016446 0.011749 0.018955 28O 2s 0.015383 0.027691 -0.029123 0.039322 0.028114 0.045372 28O 3s -0.023342 -0.042047 0.042241 -0.058213 -0.042055 -0.068166 28O 4s -0.030262 -0.054376 0.071864 -0.092735 -0.063218 -0.100669 28O 5s -0.022610 -0.039818 0.055676 -0.074017 -0.067935 -0.109569 28O 1pz -0.011820 -0.020044 0.060959 -0.078403 -0.041634 -0.075729 28O 1px -0.002507 -0.003695 -0.053350 0.066317 0.049858 0.074922 28O 1py -0.006633 -0.014047 0.016957 -0.022594 -0.014152 -0.012078 28O 2pz -0.010255 -0.017459 0.048295 -0.061898 -0.032307 -0.059728 28O 2px -0.002710 -0.004077 -0.038934 0.048337 0.036607 0.054641 28O 2py -0.005969 -0.012597 0.014789 -0.019454 -0.012549 -0.010983 28O 3pz -0.004416 -0.008942 0.010907 -0.019055 -0.012776 -0.025671 28O 3px -0.002345 -0.003798 -0.013041 0.022384 0.012007 0.018667 28O 3py -0.003829 -0.006479 0.001250 -0.003312 -0.006215 -0.006026 28O 1dz2 0.000343 0.000653 -0.000081 0.000080 0.000120 0.000241 28O 1dxz -0.000175 -0.000260 0.001890 -0.002318 -0.001365 -0.002338 28O 1dyz 0.000285 0.000512 -0.000117 0.000039 0.000305 0.000448 28O 1dx2y2 -0.000212 -0.000313 -0.001144 0.001335 0.000959 0.001380 28O 1dxy -0.000184 -0.000381 0.000347 -0.000520 -0.000237 -0.000257 28O 2dz2 0.000875 0.001712 0.001299 -0.001380 -0.001188 -0.002149 28O 2dxz -0.000407 -0.000770 0.002790 -0.004249 -0.001969 -0.003770 28O 2dyz 0.000207 0.000304 0.001558 -0.002185 -0.001795 -0.002743 28O 2dx2y2 -0.000773 -0.001293 -0.002542 0.003306 0.002190 0.003177 28O 2dxy -0.000846 -0.001474 0.000034 -0.000571 -0.000147 -0.000187 28O 1f0 -0.000215 -0.000375 -0.000014 0.000021 0.000084 -0.000014 28O 1f+1 0.000216 0.000401 -0.000370 0.000508 0.000252 0.000528 28O 1f-1 -0.000220 -0.000392 0.000299 -0.000570 -0.000274 -0.000435 28O 1f+2 0.000166 0.000299 0.000342 -0.000388 -0.000274 -0.000467 28O 1f-2 0.000166 0.000297 -0.000196 0.000196 0.000196 0.000220 28O 1f+3 0.000165 0.000298 0.000160 -0.000237 -0.000134 -0.000236 28O 1f-3 0.000085 0.000143 -0.000091 0.000163 0.000098 0.000107 29O 1s -0.000106 -0.000029 0.000827 -0.000156 0.000236 -0.001010 29O 2s -0.000255 -0.000072 0.002068 -0.000387 0.000557 -0.002436 29O 3s 0.000413 0.000146 -0.004250 0.000751 -0.000757 0.003890 29O 4s 0.000390 -0.000035 -0.000519 0.000314 -0.001529 0.004656 29O 5s 0.000844 0.000573 -0.011431 0.001694 -0.000882 0.006776 29O 1pz -0.000134 0.000796 0.001034 0.015371 0.083031 0.028217 29O 1px -0.000027 0.000307 -0.006522 0.006889 0.031427 0.009361 29O 1py 0.000423 -0.000001 0.000951 -0.001422 -0.010323 0.005775 29O 2pz -0.000110 0.000829 0.001446 0.012456 0.068437 0.023428 29O 2px -0.000088 0.000322 -0.007085 0.005854 0.026100 0.007317 29O 2py 0.000478 0.000006 0.001088 -0.001180 -0.008441 0.004864 29O 3pz -0.000171 -0.000076 -0.000930 0.003484 0.028304 0.009315 29O 3px 0.000284 -0.000094 0.000485 0.001551 0.010240 0.004929 29O 3py -0.000171 -0.000036 0.001021 -0.000401 -0.004517 0.003195 29O 1dz2 0.000002 -0.000012 -0.000006 -0.000232 -0.001077 -0.000350 29O 1dxz -0.000004 0.000011 -0.000010 0.000191 0.000964 0.000281 29O 1dyz 0.000002 -0.000021 -0.000009 -0.000438 -0.001985 -0.000652 29O 1dx2y2 0.000003 0.000004 -0.000017 0.000057 0.000238 0.000175 29O 1dxy 0.000005 -0.000007 0.000098 -0.000206 -0.000869 -0.000292 29O 2dz2 0.000032 0.000045 -0.000159 -0.000453 -0.002370 -0.000457 29O 2dxz 0.000009 -0.000070 -0.000097 0.000358 0.001754 0.000602 29O 2dyz 0.000052 -0.000059 -0.000051 -0.001023 -0.004885 -0.001585 29O 2dx2y2 0.000045 -0.000024 -0.000068 0.000010 0.000242 0.000551 29O 2dxy -0.000105 -0.000046 0.000478 -0.000533 -0.001920 -0.001074 29O 1f0 -0.000002 -0.000001 0.000081 0.000047 0.000409 0.000142 29O 1f+1 0.000001 -0.000007 -0.000054 0.000079 0.000394 0.000137 29O 1f-1 -0.000003 0.000002 0.000051 0.000040 0.000370 0.000143 29O 1f+2 0.000004 0.000007 -0.000059 0.000011 -0.000003 0.000010 29O 1f-2 -0.000004 -0.000005 0.000044 -0.000106 -0.000732 -0.000240 29O 1f+3 0.000007 -0.000001 -0.000065 0.000024 0.000186 0.000057 29O 1f-3 -0.000010 0.000001 -0.000069 0.000050 0.000369 0.000072 30O 1s -0.011582 0.006580 -0.015979 -0.012813 0.018788 -0.013475 30O 2s -0.027676 0.015724 -0.038157 -0.030654 0.044983 -0.032269 30O 3s 0.041996 -0.023882 0.055752 0.045634 -0.067671 0.048637 30O 4s 0.054535 -0.030883 0.092912 0.071396 -0.099908 0.071123 30O 5s 0.040352 -0.023373 0.068400 0.056400 -0.103418 0.075299 30O 1pz 0.012998 -0.006195 0.060172 0.045885 -0.054282 0.046582 30O 1px 0.007365 -0.003955 -0.059802 -0.044399 0.070592 -0.047690 30O 1py -0.020482 0.012415 -0.069214 -0.053732 0.065927 -0.041714 30O 2pz 0.011114 -0.005290 0.047526 0.035949 -0.041918 0.036808 30O 2px 0.007350 -0.003961 -0.043336 -0.032084 0.051630 -0.034528 30O 2py -0.017682 0.010726 -0.055833 -0.043129 0.052788 -0.033291 30O 3pz 0.004867 -0.002900 0.013017 0.013391 -0.020016 0.018117 30O 3px 0.005575 -0.003207 -0.018628 -0.016990 0.018996 -0.012532 30O 3py -0.009144 0.004902 -0.013165 -0.013250 0.024498 -0.016413 30O 1dz2 -0.000133 0.000090 0.000439 0.000265 -0.000563 0.000369 30O 1dxz -0.000001 0.000043 0.001694 0.001227 -0.001540 0.001219 30O 1dyz 0.000622 -0.000368 0.000973 0.000645 -0.001264 0.000904 30O 1dx2y2 0.000760 -0.000408 -0.000658 -0.000462 0.000609 -0.000359 30O 1dxy -0.000210 0.000146 -0.001932 -0.001468 0.001772 -0.001163 30O 2dz2 -0.001040 0.000656 0.000540 0.000176 -0.000379 0.000407 30O 2dxz -0.000008 0.000020 0.003525 0.002950 -0.003375 0.002775 30O 2dyz 0.000644 -0.000399 -0.000303 -0.000274 0.001012 -0.000848 30O 2dx2y2 0.002163 -0.001182 -0.003045 -0.002070 0.003389 -0.002250 30O 2dxy -0.000990 0.000542 -0.003531 -0.003193 0.003592 -0.002607 30O 1f0 -0.000060 0.000036 -0.000559 -0.000532 0.000603 -0.000385 30O 1f+1 -0.000144 0.000086 -0.000051 -0.000075 -0.000003 -0.000075 30O 1f-1 -0.000250 0.000136 -0.000322 -0.000278 0.000285 -0.000305 30O 1f+2 -0.000639 0.000360 -0.000299 -0.000338 0.000300 -0.000210 30O 1f-2 0.000104 -0.000061 0.000664 0.000463 -0.000696 0.000499 30O 1f+3 -0.000365 0.000205 -0.000160 -0.000090 0.000186 -0.000089 30O 1f-3 -0.000351 0.000201 0.000245 0.000194 -0.000264 0.000171 31O 1s 0.011838 -0.006527 -0.015947 -0.012812 -0.018793 0.013501 31O 2s 0.028287 -0.015598 -0.038079 -0.030651 -0.044997 0.032330 31O 3s -0.042916 0.023687 0.055636 0.045631 0.067693 -0.048729 31O 4s -0.055799 0.030641 0.092730 0.071375 0.099918 -0.071249 31O 5s -0.041094 0.023187 0.068162 0.056382 0.103448 -0.075439 31O 1pz 0.013298 -0.006148 -0.060080 -0.045844 -0.054374 0.046676 31O 1px 0.007504 -0.003916 0.059693 0.044430 0.070694 -0.047814 31O 1py -0.020981 0.012338 0.069103 0.053754 0.066013 -0.041865 31O 2pz 0.011358 -0.005252 -0.047461 -0.035922 -0.042001 0.036882 31O 2px 0.007500 -0.003924 0.043262 0.032117 0.051720 -0.034625 31O 2py -0.018100 0.010668 0.055745 0.043149 0.052861 -0.033414 31O 3pz 0.004929 -0.002897 -0.012975 -0.013348 -0.020021 0.018118 31O 3px 0.005635 -0.003179 0.018653 0.017025 0.019052 -0.012586 31O 3py -0.009263 0.004905 0.013169 0.013273 0.024571 -0.016452 31O 1dz2 0.000136 -0.000089 0.000438 0.000265 0.000564 -0.000369 31O 1dxz 0.000001 -0.000043 0.001692 0.001226 0.001542 -0.001222 31O 1dyz -0.000632 0.000367 0.000970 0.000644 0.001265 -0.000905 31O 1dx2y2 -0.000774 0.000405 -0.000657 -0.000463 -0.000611 0.000360 31O 1dxy 0.000216 -0.000145 -0.001928 -0.001468 -0.001773 0.001166 31O 2dz2 0.001063 -0.000651 0.000535 0.000172 0.000375 -0.000401 31O 2dxz 0.000010 -0.000019 0.003523 0.002951 0.003382 -0.002783 31O 2dyz -0.000667 0.000395 -0.000301 -0.000272 -0.001010 0.000849 31O 2dx2y2 -0.002214 0.001169 -0.003044 -0.002076 -0.003394 0.002255 31O 2dxy 0.001010 -0.000540 -0.003523 -0.003192 -0.003596 0.002610 31O 1f0 -0.000062 0.000035 0.000559 0.000533 0.000604 -0.000387 31O 1f+1 -0.000147 0.000085 0.000051 0.000075 -0.000003 -0.000075 31O 1f-1 -0.000255 0.000135 0.000322 0.000277 0.000286 -0.000305 31O 1f+2 -0.000654 0.000357 0.000299 0.000337 0.000301 -0.000211 31O 1f-2 0.000106 -0.000061 -0.000663 -0.000463 -0.000698 0.000500 31O 1f+3 -0.000373 0.000204 0.000160 0.000090 0.000187 -0.000090 31O 1f-3 -0.000358 0.000199 -0.000244 -0.000195 -0.000265 0.000172 32O 1s 0.000106 0.000031 0.000825 -0.000153 -0.000249 0.001006 32O 2s 0.000256 0.000078 0.002063 -0.000381 -0.000587 0.002427 32O 3s -0.000415 -0.000156 -0.004245 0.000746 0.000789 -0.003880 32O 4s -0.000394 0.000019 -0.000504 0.000273 0.001652 -0.004626 32O 5s -0.000841 -0.000567 -0.011392 0.001832 0.000832 -0.006775 32O 1pz -0.000117 0.000800 -0.001065 -0.015045 0.082494 0.030631 32O 1px -0.000020 0.000319 0.006505 -0.006707 0.030863 0.010103 32O 1py 0.000420 0.000006 -0.000935 0.001051 -0.008311 0.006266 32O 2pz -0.000095 0.000831 -0.001462 -0.012188 0.067994 0.025409 32O 2px -0.000081 0.000337 0.007072 -0.005709 0.025638 0.007929 32O 2py 0.000475 0.000014 -0.001070 0.000882 -0.006792 0.005266 32O 3pz -0.000185 -0.000096 0.000932 -0.003365 0.028082 0.010117 32O 3px 0.000281 -0.000081 -0.000504 -0.001513 0.010018 0.005165 32O 3py -0.000173 -0.000045 -0.000995 0.000390 -0.003866 0.003361 32O 1dz2 -0.000002 0.000012 -0.000006 -0.000211 0.000983 0.000353 32O 1dxz 0.000004 -0.000011 -0.000011 0.000195 -0.000994 -0.000325 32O 1dyz -0.000000 0.000021 -0.000011 -0.000435 0.001997 0.000720 32O 1dx2y2 -0.000003 -0.000004 -0.000018 0.000066 -0.000285 -0.000202 32O 1dxy -0.000004 0.000007 0.000096 -0.000194 0.000822 0.000303 32O 2dz2 -0.000032 -0.000049 -0.000159 -0.000408 0.002140 0.000451 32O 2dxz -0.000009 0.000066 -0.000103 0.000374 -0.001835 -0.000701 32O 2dyz -0.000053 0.000057 -0.000061 -0.001011 0.004903 0.001736 32O 2dx2y2 -0.000045 0.000026 -0.000075 0.000024 -0.000362 -0.000613 32O 2dxy 0.000104 0.000047 0.000471 -0.000515 0.001830 0.001102 32O 1f0 -0.000002 -0.000002 -0.000078 -0.000042 0.000391 0.000148 32O 1f+1 0.000001 -0.000007 0.000057 -0.000082 0.000408 0.000155 32O 1f-1 -0.000003 0.000002 -0.000053 -0.000041 0.000385 0.000162 32O 1f+2 0.000004 0.000007 0.000063 -0.000012 -0.000002 0.000009 32O 1f-2 -0.000004 -0.000005 -0.000041 0.000102 -0.000717 -0.000260 32O 1f+3 0.000007 -0.000001 0.000062 -0.000018 0.000155 0.000053 32O 1f-3 -0.000010 0.000001 0.000068 -0.000047 0.000362 0.000081 33O 1s -0.006715 -0.011911 -0.012137 0.016325 -0.011830 -0.019016 33O 2s -0.016043 -0.028458 -0.028961 0.039031 -0.028306 -0.045521 33O 3s 0.024334 0.043193 0.042002 -0.057779 0.042332 0.068387 33O 4s 0.031637 0.055995 0.071487 -0.092077 0.063703 0.101022 33O 5s 0.023374 0.040666 0.055336 -0.073361 0.068306 0.109863 33O 1pz -0.012331 -0.020645 -0.060610 0.077796 -0.041944 -0.075880 33O 1px -0.002566 -0.003749 0.053066 -0.065829 0.050155 0.075120 33O 1py -0.007009 -0.014511 -0.016930 0.022560 -0.014309 -0.012252 33O 2pz -0.010678 -0.017956 -0.048027 0.061426 -0.032556 -0.059846 33O 2px -0.002793 -0.004164 0.038722 -0.047974 0.036817 0.054777 33O 2py -0.006293 -0.013000 -0.014762 0.019416 -0.012686 -0.011122 33O 3pz -0.004531 -0.009082 -0.010791 0.018798 -0.012761 -0.025639 33O 3px -0.002388 -0.003836 0.012961 -0.022241 0.012055 0.018712 33O 3py -0.003923 -0.006592 -0.001224 0.003261 -0.006191 -0.006051 33O 1dz2 -0.000355 -0.000667 -0.000078 0.000075 -0.000119 -0.000237 33O 1dxz 0.000182 0.000270 0.001880 -0.002300 0.001376 0.002345 33O 1dyz -0.000295 -0.000525 -0.000118 0.000038 -0.000306 -0.000450 33O 1dx2y2 0.000218 0.000321 -0.001139 0.001326 -0.000966 -0.001385 33O 1dxy 0.000195 0.000394 0.000348 -0.000521 0.000242 0.000264 33O 2dz2 -0.000915 -0.001754 0.001293 -0.001366 0.001196 0.002158 33O 2dxz 0.000425 0.000792 0.002773 -0.004219 0.001980 0.003777 33O 2dyz -0.000225 -0.000324 0.001549 -0.002165 0.001807 0.002749 33O 2dx2y2 0.000806 0.001330 -0.002529 0.003284 -0.002204 -0.003191 33O 2dxy 0.000883 0.001518 0.000035 -0.000574 0.000150 0.000190 33O 1f0 -0.000223 -0.000383 0.000015 -0.000022 0.000085 -0.000013 33O 1f+1 0.000224 0.000411 0.000367 -0.000503 0.000253 0.000526 33O 1f-1 -0.000230 -0.000404 -0.000298 0.000568 -0.000277 -0.000438 33O 1f+2 0.000173 0.000307 -0.000340 0.000385 -0.000274 -0.000467 33O 1f-2 0.000174 0.000307 0.000196 -0.000196 0.000198 0.000222 33O 1f+3 0.000172 0.000307 -0.000159 0.000235 -0.000135 -0.000238 33O 1f-3 0.000089 0.000148 0.000092 -0.000163 0.000099 0.000108 34O 1s 0.011555 -0.006375 -0.016021 -0.012795 -0.018697 0.013522 34O 2s 0.027617 -0.015240 -0.038239 -0.030596 -0.044731 0.032365 34O 3s -0.041997 0.023198 0.055634 0.045371 0.066848 -0.048544 34O 4s -0.054165 0.029766 0.094209 0.072268 0.101308 -0.072532 34O 5s -0.041836 0.023351 0.069213 0.055004 0.101650 -0.076749 34O 1pz 0.012782 -0.005871 -0.007914 -0.006740 0.003062 0.006453 34O 1px 0.008204 -0.004270 -0.101369 -0.075704 -0.103178 0.075807 34O 1py -0.020452 0.012045 0.039613 0.030959 0.032337 -0.019072 34O 2pz 0.011605 -0.005361 -0.007990 -0.006637 0.000915 0.006735 34O 2px 0.006296 -0.003219 -0.077045 -0.057419 -0.078059 0.057209 34O 2py -0.018146 0.010637 0.033301 0.025766 0.027775 -0.016080 34O 3pz 0.005638 -0.003554 -0.000642 -0.000009 -0.002840 0.005947 34O 3px 0.000240 -0.000137 -0.025663 -0.024421 -0.030241 0.021784 34O 3py -0.009031 0.005124 0.006697 0.006945 0.013716 -0.008967 34O 1dz2 -0.000261 0.000096 0.001436 0.001011 0.001431 -0.001152 34O 1dxz 0.000539 -0.000281 0.000222 0.000127 0.000245 -0.000055 34O 1dyz -0.000116 0.000083 -0.000293 -0.000316 0.000082 -0.000029 34O 1dx2y2 -0.000115 0.000048 -0.002403 -0.001743 -0.002225 0.001605 34O 1dxy -0.000840 0.000482 0.000912 0.000668 0.001017 -0.000697 34O 2dz2 0.000017 -0.000065 0.001700 0.001371 0.001202 -0.001191 34O 2dxz 0.001501 -0.000879 0.001751 0.001206 0.002018 -0.001364 34O 2dyz 0.000663 -0.000350 -0.001842 -0.001814 -0.002333 0.001854 34O 2dx2y2 -0.000501 0.000230 -0.004717 -0.003921 -0.004713 0.003185 34O 2dxy -0.002061 0.001119 -0.000566 -0.000058 -0.001090 0.000806 34O 1f0 -0.000346 0.000192 0.000088 0.000169 0.000029 -0.000100 34O 1f+1 0.000008 -0.000001 0.000585 0.000473 0.000613 -0.000414 34O 1f-1 0.000129 -0.000076 -0.000122 -0.000073 -0.000145 0.000071 34O 1f+2 0.000181 -0.000101 0.000194 0.000248 0.000231 -0.000096 34O 1f-2 -0.000248 0.000135 0.000229 0.000228 0.000198 -0.000210 34O 1f+3 0.000490 -0.000271 0.000284 0.000165 0.000271 -0.000242 34O 1f-3 0.000473 -0.000256 -0.000577 -0.000458 -0.000590 0.000401 35O 1s -0.006503 -0.011544 -0.012341 0.016678 -0.012260 -0.019526 35O 2s -0.015545 -0.027595 -0.029448 0.039876 -0.029341 -0.046734 35O 3s 0.023708 0.042112 0.042767 -0.059066 0.043979 0.070145 35O 4s 0.030073 0.053217 0.072947 -0.094398 0.066115 0.104830 35O 5s 0.022277 0.040000 0.049265 -0.069061 0.064516 0.101764 35O 1pz -0.012207 -0.020375 -0.022922 0.031113 -0.010685 -0.024924 35O 1px -0.002796 -0.004158 -0.071505 0.090967 -0.062969 -0.102435 35O 1py -0.006982 -0.014468 -0.041034 0.053517 -0.038209 -0.048114 35O 2pz -0.010997 -0.018407 -0.020362 0.027135 -0.009817 -0.022458 35O 2px -0.002188 -0.003212 -0.054560 0.068985 -0.047487 -0.077630 35O 2py -0.006297 -0.013029 -0.032992 0.042736 -0.030753 -0.038096 35O 3pz -0.004872 -0.009102 -0.002321 0.005545 -0.005431 -0.014584 35O 3px 0.000128 -0.000004 -0.018375 0.029828 -0.018823 -0.032807 35O 3py -0.003264 -0.005203 -0.009153 0.014599 -0.013655 -0.018848 35O 1dz2 0.000004 -0.000073 0.001187 -0.001511 0.000829 0.001420 35O 1dxz -0.000426 -0.000754 -0.000292 0.000420 -0.000204 -0.000428 35O 1dyz -0.000290 -0.000465 -0.000019 -0.000091 -0.000136 -0.000361 35O 1dx2y2 0.000148 0.000257 -0.001300 0.001567 -0.001066 -0.001718 35O 1dxy -0.000204 -0.000424 -0.001314 0.001592 -0.001208 -0.001742 35O 2dz2 0.000182 0.000250 0.002727 -0.003960 0.002228 0.004151 35O 2dxz -0.001265 -0.002325 0.000724 -0.000305 0.000663 0.001048 35O 2dyz -0.000181 -0.000280 0.001602 -0.002296 0.001848 0.002744 35O 2dx2y2 0.000603 0.000949 -0.002996 0.003807 -0.002536 -0.003884 35O 2dxy -0.000524 -0.000881 -0.001808 0.002633 -0.001372 -0.001985 35O 1f0 0.000202 0.000369 0.000195 -0.000267 0.000161 0.000281 35O 1f+1 -0.000176 -0.000304 0.000225 -0.000304 0.000244 0.000301 35O 1f-1 -0.000101 -0.000179 0.000017 0.000166 0.000026 -0.000044 35O 1f+2 -0.000104 -0.000180 -0.000033 0.000004 0.000022 -0.000064 35O 1f-2 -0.000306 -0.000546 -0.000420 0.000622 -0.000374 -0.000614 35O 1f+3 -0.000226 -0.000393 0.000055 -0.000029 -0.000007 0.000118 35O 1f-3 0.000036 0.000056 0.000623 -0.000851 0.000577 0.000879 72 73 74 75 76 77 -0.52117 -0.51871 -0.49653 -0.49100 -0.46958 -0.46717 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s 0.000023 0.000025 0.004373 -0.000915 -0.000093 0.000023 0Rh 2s -0.000090 -0.000090 -0.016619 0.003457 0.000347 -0.000085 0Rh 3s 0.000079 0.000090 0.014965 -0.003143 -0.000320 0.000079 0Rh 4s 0.000380 0.000374 0.069929 -0.014524 -0.001460 0.000356 0Rh 5s -0.000278 -0.000218 -0.052713 0.010412 0.001046 -0.000216 0Rh 6s -0.000627 -0.000794 -0.109615 0.024506 0.002483 -0.000796 0Rh 7s 0.000397 0.001305 0.147537 -0.032038 -0.001267 0.001050 0Rh 8s 0.001123 0.001754 0.027249 -0.007178 -0.007599 0.003775 0Rh 1pz -0.002453 -0.002978 0.000470 -0.000081 -0.002568 -0.012843 0Rh 1px -0.000762 -0.001046 -0.001550 0.000417 -0.003332 -0.003488 0Rh 1py 0.000194 0.000048 -0.000372 0.000083 0.013327 -0.003505 0Rh 2pz 0.008260 0.010052 -0.001567 0.000276 0.008671 0.043366 0Rh 2px 0.002568 0.003529 0.005173 -0.001391 0.011260 0.011777 0Rh 2py -0.000653 -0.000164 0.001239 -0.000275 -0.044999 0.011833 0Rh 3pz -0.006224 -0.008005 0.000935 -0.000242 -0.006802 -0.034146 0Rh 3px -0.001949 -0.002767 -0.003088 0.000835 -0.008962 -0.009234 0Rh 3py 0.000496 0.000123 -0.000707 0.000110 0.035288 -0.009294 0Rh 4pz -0.011500 -0.012838 0.002978 -0.000247 -0.011667 -0.057215 0Rh 4px -0.003522 -0.004664 -0.009912 0.002665 -0.014602 -0.015674 0Rh 4py 0.000929 0.000289 -0.002502 0.000697 0.060172 -0.015607 0Rh 5pz 0.001315 0.001845 -0.001468 -0.000141 0.001738 0.006419 0Rh 5px 0.000319 0.000893 0.005082 -0.001355 0.001260 0.001917 0Rh 5py -0.000120 -0.000286 0.001463 -0.000493 -0.007792 0.001540 0Rh 6pz 0.014881 -0.013529 0.009711 -0.002176 -0.001371 -0.006594 0Rh 6px 0.005135 -0.006511 -0.027777 0.007213 -0.000925 -0.000571 0Rh 6py -0.002096 0.002939 -0.007107 0.001196 0.002439 0.001442 0Rh 1dz2 0.002491 -0.003208 -0.006747 0.020892 0.000848 0.004036 0Rh 1dxz -0.005820 0.004024 -0.015863 0.001136 -0.001058 -0.006491 0Rh 1dyz -0.003559 -0.001057 0.008424 0.047589 -0.003615 -0.000474 0Rh 1dx2y2 -0.002270 0.001245 0.025185 0.002902 -0.002999 -0.001750 0Rh 1dxy -0.000298 -0.001232 0.013623 0.016894 0.009516 -0.002890 0Rh 2dz2 -0.000002 0.000029 0.000135 -0.000388 -0.000014 -0.000108 0Rh 2dxz 0.000059 -0.000045 0.000323 -0.000033 0.000026 0.000170 0Rh 2dyz 0.000083 -0.000004 -0.000169 -0.000902 0.000089 0.000013 0Rh 2dx2y2 0.000024 -0.000015 -0.000526 -0.000060 0.000079 0.000048 0Rh 2dxy 0.000024 0.000005 -0.000276 -0.000313 -0.000235 0.000081 0Rh 3dz2 -0.003747 0.004672 0.009631 -0.029588 -0.001233 -0.005725 0Rh 3dxz 0.008508 -0.005861 0.022573 -0.001510 0.001508 0.009237 0Rh 3dyz 0.004973 0.001570 -0.011904 -0.067445 0.005161 0.000675 0Rh 3dx2y2 0.003314 -0.001800 -0.035692 -0.004205 0.004263 0.002476 0Rh 3dxy 0.000340 0.001816 -0.019341 -0.024012 -0.013589 0.004090 0Rh 4dz2 -0.004198 0.005897 0.013362 -0.041238 -0.001611 -0.007886 0Rh 4dxz 0.010528 -0.007404 0.031471 -0.002301 0.002073 0.012575 0Rh 4dyz 0.007162 0.001845 -0.016817 -0.094043 0.007028 0.000867 0Rh 4dx2y2 0.004159 -0.002323 -0.050273 -0.005786 0.005881 0.003421 0Rh 4dxy 0.000772 0.002255 -0.027023 -0.033392 -0.018533 0.005659 0Rh 5dz2 -0.005615 0.006064 0.009921 -0.032192 -0.001644 -0.006544 0Rh 5dxz 0.011544 -0.007667 0.024246 -0.002111 0.001730 0.011474 0Rh 5dyz 0.005403 0.002317 -0.012787 -0.072638 0.005960 0.001579 0Rh 5dx2y2 0.004353 -0.002173 -0.038384 -0.003554 0.005154 0.002860 0Rh 5dxy 0.000133 0.002346 -0.021051 -0.025491 -0.015792 0.004828 0Rh 1f0 -0.000510 -0.000028 -0.000372 0.000414 -0.003222 -0.000093 0Rh 1f+1 -0.000881 0.001319 0.000306 -0.000504 0.000010 0.001970 0Rh 1f-1 0.000248 0.001207 0.000260 0.000516 -0.002897 0.005163 0Rh 1f+2 0.000255 -0.002067 0.000647 0.000181 -0.002371 -0.004820 0Rh 1f-2 0.000204 -0.000295 -0.000012 -0.001116 -0.004125 0.000507 0Rh 1f+3 -0.000164 0.001081 0.000786 0.000039 0.003074 0.001994 0Rh 1f-3 -0.000013 -0.000175 0.000603 0.000486 -0.002013 0.000241 1Rh 1s 0.000026 -0.000021 -0.004372 0.000914 -0.000091 0.000013 1Rh 2s -0.000099 0.000073 0.016619 -0.003456 0.000342 -0.000047 1Rh 3s 0.000086 -0.000075 -0.014964 0.003141 -0.000314 0.000044 1Rh 4s 0.000415 -0.000303 -0.069930 0.014517 -0.001436 0.000193 1Rh 5s -0.000304 0.000163 0.052718 -0.010405 0.001031 -0.000097 1Rh 6s -0.000686 0.000688 0.109607 -0.024501 0.002438 -0.000526 1Rh 7s 0.000510 -0.001215 -0.147503 0.032072 -0.001180 0.000690 1Rh 8s 0.001021 -0.001640 -0.027280 0.007097 -0.007669 0.003378 1Rh 1pz 0.002506 -0.002923 0.000449 -0.000059 0.002571 0.012846 1Rh 1px 0.000802 -0.001035 -0.001555 0.000422 0.003331 0.003479 1Rh 1py -0.000289 0.000103 -0.000379 0.000114 -0.013328 0.003510 1Rh 2pz -0.008436 0.009868 -0.001496 0.000199 -0.008681 -0.043378 1Rh 2px -0.002702 0.003493 0.005187 -0.001410 -0.011256 -0.011744 1Rh 2py 0.000973 -0.000347 0.001263 -0.000380 0.045003 -0.011851 1Rh 3pz 0.006366 -0.007866 0.000876 -0.000181 0.006808 0.034157 1Rh 3px 0.002055 -0.002742 -0.003099 0.000851 0.008958 0.009210 1Rh 3py -0.000753 0.000259 -0.000726 0.000193 -0.035291 0.009311 1Rh 4pz 0.011721 -0.012587 0.002895 -0.000154 0.011686 0.057229 1Rh 4px 0.003699 -0.004609 -0.009931 0.002686 0.014602 0.015622 1Rh 4py -0.001333 0.000554 -0.002529 0.000834 -0.060179 0.015620 1Rh 5pz -0.001333 0.001828 -0.001481 -0.000143 -0.001745 -0.006419 1Rh 5px -0.000351 0.000881 0.005084 -0.001346 -0.001265 -0.001904 1Rh 5py 0.000166 -0.000333 0.001458 -0.000508 0.007793 -0.001528 1Rh 6pz -0.014809 -0.013973 0.009820 -0.002120 0.001271 0.006680 1Rh 6px -0.004932 -0.006649 -0.027768 0.007154 0.000908 0.000589 1Rh 6py 0.001970 0.002924 -0.007090 0.001317 -0.002374 -0.001413 1Rh 1dz2 0.002407 0.003242 0.006742 -0.020866 0.000826 0.004078 1Rh 1dxz -0.005777 -0.004180 0.015877 -0.001132 -0.001109 -0.006457 1Rh 1dyz -0.003570 0.001048 -0.008437 -0.047596 -0.003709 -0.000385 1Rh 1dx2y2 -0.002234 -0.001249 -0.025190 -0.002891 -0.003024 -0.001796 1Rh 1dxy -0.000440 0.001070 -0.013626 -0.016927 0.009513 -0.002804 1Rh 2dz2 -0.000002 -0.000029 -0.000135 0.000388 -0.000014 -0.000108 1Rh 2dxz 0.000058 0.000046 -0.000323 0.000033 0.000027 0.000170 1Rh 2dyz 0.000083 0.000005 0.000169 0.000902 0.000091 0.000012 1Rh 2dx2y2 0.000023 0.000015 0.000526 0.000059 0.000080 0.000049 1Rh 2dxy 0.000025 -0.000004 0.000276 0.000314 -0.000235 0.000080 1Rh 3dz2 -0.003623 -0.004723 -0.009625 0.029551 -0.001202 -0.005787 1Rh 3dxz 0.008449 0.006093 -0.022594 0.001504 0.001583 0.009188 1Rh 3dyz 0.004988 -0.001560 0.011921 0.067456 0.005295 0.000548 1Rh 3dx2y2 0.003263 0.001807 0.035700 0.004192 0.004298 0.002542 1Rh 3dxy 0.000547 -0.001579 0.019345 0.024058 -0.013586 0.003967 1Rh 4dz2 -0.004048 -0.005955 -0.013353 0.041190 -0.001570 -0.007969 1Rh 4dxz 0.010441 0.007677 -0.031498 0.002292 0.002172 0.012511 1Rh 4dyz 0.007185 -0.001817 0.016844 0.094058 0.007216 0.000693 1Rh 4dx2y2 0.004085 0.002326 0.050284 0.005762 0.005931 0.003515 1Rh 4dxy 0.001033 -0.001959 0.027029 0.033457 -0.018526 0.005494 1Rh 5dz2 -0.005452 -0.006138 -0.009909 0.032139 -0.001601 -0.006622 1Rh 5dxz 0.011482 0.008001 -0.024267 0.002105 0.001818 0.011405 1Rh 5dyz 0.005411 -0.002322 0.012804 0.072635 0.006106 0.001422 1Rh 5dx2y2 0.004306 0.002190 0.038385 0.003547 0.005183 0.002927 1Rh 5dxy 0.000393 -0.002028 0.021055 0.025536 -0.015788 0.004683 1Rh 1f0 0.000543 -0.000019 -0.000371 0.000408 0.003222 0.000093 1Rh 1f+1 0.000858 0.001335 0.000311 -0.000509 -0.000009 -0.001971 1Rh 1f-1 -0.000232 0.001197 0.000265 0.000499 0.002901 -0.005167 1Rh 1f+2 -0.000212 -0.002082 0.000640 0.000185 0.002366 0.004824 1Rh 1f-2 -0.000150 -0.000293 -0.000010 -0.001123 0.004122 -0.000508 1Rh 1f+3 0.000116 0.001080 0.000788 0.000037 -0.003071 -0.001993 1Rh 1f-3 0.000058 -0.000151 0.000602 0.000485 0.002011 -0.000247 2C 1s -0.001283 0.006025 0.000432 -0.000455 0.000320 -0.000511 2C 2s -0.002769 0.012997 0.000926 -0.000979 0.000701 -0.001127 2C 3s 0.004172 -0.018614 -0.001389 0.001614 -0.001098 0.001805 2C 4s 0.006646 -0.036695 -0.002538 0.002074 -0.001784 0.002793 2C 5s 0.004016 0.003172 -0.001822 0.005864 -0.011345 0.025090 2C 1pz -0.006699 0.028299 0.012012 -0.018460 0.010790 -0.026220 2C 1px 0.002432 0.004736 -0.030794 0.051019 -0.025521 0.072347 2C 1py -0.002978 0.017775 -0.004345 0.008273 -0.003959 0.012006 2C 2pz -0.004345 0.016287 0.008226 -0.012888 0.007231 -0.018357 2C 2px 0.001344 0.002330 -0.021844 0.036500 -0.018930 0.053958 2C 2py -0.001776 0.009631 -0.003157 0.006125 -0.003560 0.009679 2C 3pz -0.000741 0.007049 0.002712 -0.004072 0.001952 -0.003089 2C 3px 0.001034 0.003174 -0.009991 0.016238 -0.008187 0.021571 2C 3py -0.000642 0.004616 -0.002011 0.003800 -0.002836 0.006408 2C 1dz2 -0.000335 0.001215 0.000736 -0.001102 0.000528 -0.001311 2C 1dxz -0.000001 0.000498 -0.000522 0.000794 -0.000225 0.000632 2C 1dyz -0.000296 0.001711 -0.000325 0.000651 -0.000314 0.001094 2C 1dx2y2 0.000215 -0.000549 -0.000905 0.001491 -0.000784 0.002249 2C 1dxy 0.000032 0.000330 -0.000574 0.000892 -0.000361 0.000906 2C 2dz2 -0.000137 -0.000006 0.000903 -0.001528 0.000585 -0.001597 2C 2dxz 0.000207 0.000350 -0.001677 0.002735 -0.001308 0.003256 2C 2dyz -0.000268 -0.000535 0.000031 -0.000056 0.000014 -0.000274 2C 2dx2y2 -0.000039 -0.000301 -0.000096 -0.000051 0.000149 -0.000476 2C 2dxy 0.000062 -0.000184 -0.001292 0.002073 -0.000740 0.002330 2C 1f0 -0.000031 -0.000094 0.000570 -0.000928 0.000381 -0.001084 2C 1f+1 0.000034 -0.000063 -0.000588 0.000920 -0.000377 0.001109 2C 1f-1 0.000000 -0.000179 0.000313 -0.000496 0.000212 -0.000558 2C 1f+2 -0.000024 0.000394 -0.000187 0.000306 -0.000112 0.000339 2C 1f-2 0.000151 -0.000434 -0.000857 0.001337 -0.000612 0.001613 2C 1f+3 -0.000022 0.000316 -0.000363 0.000593 -0.000272 0.000676 2C 1f-3 -0.000050 0.000034 0.000163 -0.000245 0.000092 -0.000248 3C 1s 0.000655 0.004631 0.000143 0.000195 -0.000099 -0.000117 3C 2s 0.001410 0.010005 0.000306 0.000423 -0.000239 -0.000264 3C 3s -0.002035 -0.014698 -0.000533 -0.000730 0.000501 0.000556 3C 4s -0.003638 -0.026391 -0.000796 -0.000834 -0.000021 -0.000230 3C 5s 0.000138 -0.004047 -0.001771 -0.005173 0.018711 0.001962 3C 1pz 0.000616 0.012169 0.015981 0.010610 -0.021909 -0.009440 3C 1px 0.004205 0.009642 -0.049141 -0.031550 0.071140 0.026872 3C 1py -0.002344 -0.020828 -0.009071 -0.006638 0.012779 0.005102 3C 2pz 0.000519 0.007812 0.011261 0.007412 -0.016120 -0.007132 3C 2px 0.002645 0.005661 -0.035008 -0.022605 0.053059 0.019962 3C 2py -0.001954 -0.011595 -0.006331 -0.004487 0.009379 0.004078 3C 3pz 0.000224 0.000177 0.004556 0.002486 -0.003523 -0.002613 3C 3px 0.001352 0.003472 -0.016260 -0.010417 0.021916 0.008276 3C 3py -0.000004 -0.005864 -0.002590 -0.001166 0.000480 0.002106 3C 1dz2 -0.000077 -0.000241 0.000499 0.000289 -0.000518 -0.000229 3C 1dxz 0.000064 0.000435 0.000599 0.000447 -0.001312 -0.000484 3C 1dyz -0.000134 -0.001131 -0.000024 -0.000015 -0.000322 -0.000111 3C 1dx2y2 -0.000030 -0.000824 -0.001174 -0.000760 0.001427 0.000576 3C 1dxy -0.000244 -0.000835 0.001720 0.001045 -0.002102 -0.000728 3C 2dz2 -0.000090 0.000281 0.000758 0.000467 -0.000732 -0.000249 3C 2dxz 0.000217 0.000327 -0.001158 -0.000794 0.001640 0.000406 3C 2dyz -0.000138 0.000053 -0.001067 -0.000686 0.001395 0.000624 3C 2dx2y2 -0.000062 -0.000083 -0.001634 -0.000944 0.001752 0.000689 3C 2dxy -0.000218 -0.000120 0.002710 0.001624 -0.002846 -0.000991 3C 1f0 -0.000012 -0.000109 0.000039 0.000022 -0.000043 -0.000035 3C 1f+1 -0.000016 -0.000036 0.000125 0.000075 -0.000080 -0.000016 3C 1f-1 -0.000005 -0.000198 -0.000614 -0.000378 0.000728 0.000302 3C 1f+2 0.000099 0.000404 -0.000971 -0.000588 0.001100 0.000424 3C 1f-2 -0.000007 0.000212 0.000884 0.000538 -0.001041 -0.000394 3C 1f+3 0.000062 -0.000030 -0.000890 -0.000544 0.001069 0.000365 3C 1f-3 0.000040 0.000047 -0.001109 -0.000683 0.001305 0.000482 4C 1s 0.002597 -0.013795 -0.000645 0.000541 -0.000271 0.000472 4C 2s 0.005648 -0.030062 -0.001418 0.001204 -0.000598 0.001047 4C 3s -0.008400 0.049445 0.002113 -0.002000 0.000832 -0.001937 4C 4s -0.019024 0.073839 0.005817 -0.004414 0.003003 -0.002148 4C 5s -0.007466 -0.000455 0.003447 -0.006082 0.010794 -0.015006 4C 1pz -0.002945 -0.004065 0.026833 -0.042229 0.017137 -0.047871 4C 1px 0.014524 -0.006033 -0.085196 0.130658 -0.055608 0.149342 4C 1py 0.003742 -0.006354 -0.015649 0.023909 -0.012383 0.027902 4C 2pz -0.002288 -0.008335 0.014863 -0.024319 0.010878 -0.030367 4C 2px 0.007901 -0.001933 -0.045928 0.074083 -0.035709 0.097339 4C 2py 0.001695 -0.006658 -0.008236 0.013492 -0.008457 0.018911 4C 3pz -0.000102 0.005804 0.000327 0.001592 -0.004032 0.013475 4C 3px 0.001358 0.001018 -0.006147 0.006240 0.002943 -0.006255 4C 3py 0.000638 0.003800 -0.002571 0.003333 -0.001506 0.006187 4C 1dz2 -0.000280 -0.000150 0.000977 -0.001290 0.000367 -0.001440 4C 1dxz 0.000724 -0.000656 -0.001674 0.002184 -0.000683 0.002454 4C 1dyz -0.000054 0.000315 0.000104 -0.000140 0.000221 -0.000000 4C 1dx2y2 -0.000161 0.000815 -0.000058 0.000103 0.000298 0.000233 4C 1dxy 0.000304 0.000368 -0.001210 0.001606 -0.001246 0.001573 4C 2dz2 0.000718 0.001489 -0.003751 0.004988 -0.000740 0.001652 4C 2dxz -0.000117 0.001524 0.006336 -0.008927 0.002141 -0.004970 4C 2dyz -0.000062 0.002345 -0.000270 0.000596 0.000470 0.000116 4C 2dx2y2 -0.000875 0.000126 0.000332 -0.000319 0.000229 0.001080 4C 2dxy -0.001451 0.001419 0.005020 -0.006911 0.000895 -0.003453 4C 1f0 0.000098 -0.000384 -0.000974 0.001543 -0.000636 0.001446 4C 1f+1 0.000283 -0.000697 0.000735 -0.001185 0.000465 -0.001025 4C 1f-1 0.000111 -0.000835 0.000068 -0.000204 0.000254 -0.000548 4C 1f+2 -0.000315 0.000871 0.001185 -0.001928 0.000942 -0.002309 4C 1f-2 0.000121 -0.000183 0.000565 -0.000863 0.000036 -0.000318 4C 1f+3 -0.000087 -0.000083 0.001351 -0.002205 0.000753 -0.002561 4C 1f-3 0.000086 -0.000417 0.000726 -0.001293 0.000658 -0.001878 5C 1s -0.001371 -0.010562 0.000215 -0.000091 -0.000110 0.000012 5C 2s -0.002973 -0.023019 0.000477 -0.000191 -0.000261 0.000018 5C 3s 0.003897 0.038196 -0.000236 0.000599 -0.000324 0.000076 5C 4s 0.012924 0.054555 -0.004547 -0.001311 0.005947 -0.000708 5C 5s 0.003729 -0.000672 0.002978 0.003487 -0.004773 -0.005490 5C 1pz -0.004554 -0.003140 0.043568 0.025694 -0.048828 -0.018507 5C 1px 0.011601 0.003046 -0.132807 -0.080198 0.149332 0.055408 5C 1py 0.003188 0.006854 -0.025338 -0.015064 0.030958 0.010089 5C 2pz -0.001897 -0.003110 0.024012 0.014876 -0.031388 -0.012498 5C 2px 0.007032 -0.002383 -0.074090 -0.046920 0.098206 0.036115 5C 2py 0.000568 0.007026 -0.013271 -0.008177 0.019064 0.006810 5C 3pz -0.000175 0.002842 0.001794 -0.000389 0.008393 -0.000513 5C 3px 0.001309 -0.001353 -0.006970 -0.003326 -0.005370 -0.004965 5C 3py -0.000046 -0.000966 -0.000423 0.001863 -0.010607 0.001976 5C 1dz2 -0.000287 -0.000502 0.000956 0.000473 -0.000822 -0.000648 5C 1dxz 0.000202 -0.000382 -0.001176 -0.000625 0.001005 0.000941 5C 1dyz 0.000161 -0.000313 -0.001140 -0.000576 0.001175 0.000374 5C 1dx2y2 0.000403 0.000601 -0.001558 -0.000802 0.001592 0.000554 5C 1dxy -0.000422 0.000036 0.002478 0.001270 -0.002651 -0.000440 5C 2dz2 -0.000432 0.000517 -0.003241 -0.001777 0.001231 0.000420 5C 2dxz -0.000805 0.000375 0.005491 0.003272 -0.003585 -0.000429 5C 2dyz -0.000626 -0.002287 0.004581 0.002532 -0.002388 -0.000828 5C 2dx2y2 0.000577 -0.001110 0.005016 0.002773 -0.001145 -0.000993 5C 2dxy 0.001282 -0.000205 -0.009461 -0.005443 0.004342 0.001909 5C 1f0 0.000025 0.000171 -0.001502 -0.000959 0.001977 0.000646 5C 1f+1 -0.000158 -0.000304 0.001147 0.000745 -0.001648 -0.000450 5C 1f-1 0.000072 -0.000001 0.000249 0.000142 0.000049 0.000110 5C 1f+2 0.000046 0.000443 0.001987 0.001265 -0.001978 -0.000705 5C 1f-2 0.000041 0.000587 0.000507 0.000384 -0.001297 -0.000584 5C 1f+3 -0.000235 -0.000626 0.002367 0.001500 -0.002551 -0.001064 5C 1f-3 0.000197 0.000394 0.001373 0.000865 -0.001113 -0.000509 6C 1s -0.001991 0.010558 -0.000216 0.000095 -0.000093 0.000026 6C 2s -0.004325 0.023010 -0.000479 0.000200 -0.000222 0.000048 6C 3s 0.006103 -0.038179 0.000218 -0.000622 -0.000410 0.000019 6C 4s 0.016351 -0.054548 0.004651 0.001303 0.005943 -0.000760 6C 5s 0.003776 0.000705 -0.002858 -0.003454 -0.004854 -0.005532 6C 1pz 0.004746 -0.003126 0.043613 0.025679 0.048854 0.018454 6C 1px -0.011648 0.003163 -0.132721 -0.080058 -0.149463 -0.055474 6C 1py -0.003438 0.006885 -0.025311 -0.015038 -0.030835 -0.009946 6C 2pz 0.002076 -0.003079 0.024010 0.014860 0.031390 0.012463 6C 2px -0.006941 -0.002384 -0.074021 -0.046833 -0.098339 -0.036218 6C 2py -0.000863 0.007046 -0.013214 -0.008156 -0.018944 -0.006709 6C 3pz -0.000121 0.002974 0.001791 -0.000365 -0.008450 0.000567 6C 3px -0.001423 -0.001457 -0.006973 -0.003378 0.005237 0.004867 6C 3py 0.000495 -0.001184 -0.000419 0.001825 0.010710 -0.002034 6C 1dz2 -0.000314 0.000499 -0.000959 -0.000474 -0.000826 -0.000651 6C 1dxz 0.000177 0.000382 0.001175 0.000625 0.001008 0.000943 6C 1dyz 0.000139 0.000313 0.001140 0.000575 0.001175 0.000374 6C 1dx2y2 0.000438 -0.000603 0.001558 0.000801 0.001593 0.000554 6C 1dxy -0.000420 -0.000033 -0.002475 -0.001264 -0.002651 -0.000442 6C 2dz2 -0.000479 -0.000519 0.003230 0.001772 0.001207 0.000418 6C 2dxz -0.000820 -0.000360 -0.005513 -0.003271 -0.003613 -0.000425 6C 2dyz -0.000740 0.002295 -0.004588 -0.002536 -0.002390 -0.000827 6C 2dx2y2 0.000553 0.001110 -0.004990 -0.002766 -0.001108 -0.000976 6C 2dxy 0.001258 0.000216 0.009474 0.005447 0.004359 0.001895 6C 1f0 -0.000034 0.000172 -0.001501 -0.000958 -0.001979 -0.000646 6C 1f+1 0.000178 -0.000306 0.001146 0.000742 0.001650 0.000452 6C 1f-1 -0.000076 -0.000004 0.000249 0.000142 -0.000050 -0.000110 6C 1f+2 -0.000068 0.000443 0.001988 0.001264 0.001983 0.000707 6C 1f-2 -0.000081 0.000588 0.000503 0.000382 0.001296 0.000585 6C 1f+3 0.000276 -0.000626 0.002368 0.001499 0.002556 0.001066 6C 1f-3 -0.000232 0.000395 0.001368 0.000862 0.001108 0.000506 7C 1s 0.002626 0.013868 0.000663 -0.000571 -0.000267 0.000470 7C 2s 0.005711 0.030219 0.001457 -0.001270 -0.000590 0.001042 7C 3s -0.008472 -0.049705 -0.002168 0.002101 0.000820 -0.001924 7C 4s -0.019360 -0.074200 -0.005971 0.004616 0.002962 -0.002142 7C 5s -0.007477 0.000177 -0.003532 0.006211 0.010877 -0.015258 7C 1pz 0.002825 -0.003903 0.026714 -0.042020 -0.017259 0.048086 7C 1px -0.014334 -0.006568 -0.084974 0.130243 0.055801 -0.149731 7C 1py -0.003641 -0.006515 -0.015586 0.023812 0.012368 -0.027835 7C 2pz 0.002288 -0.008278 0.014804 -0.024218 -0.010981 0.030556 7C 2px -0.007921 -0.002164 -0.045748 0.073830 0.035847 -0.097554 7C 2py -0.001642 -0.006776 -0.008171 0.013419 0.008440 -0.018831 7C 3pz 0.000212 0.005643 0.000299 0.001512 0.004036 -0.013474 7C 3px -0.001491 0.000954 -0.006147 0.006295 -0.002890 0.006126 7C 3py -0.000529 0.003676 -0.002585 0.003324 0.001534 -0.006298 7C 1dz2 -0.000276 0.000143 -0.000971 0.001282 0.000369 -0.001442 7C 1dxz 0.000721 0.000680 0.001666 -0.002172 -0.000683 0.002454 7C 1dyz -0.000057 -0.000318 -0.000107 0.000143 0.000222 -0.000005 7C 1dx2y2 -0.000167 -0.000821 0.000055 -0.000100 0.000298 0.000233 7C 1dxy 0.000303 -0.000353 0.001211 -0.001604 -0.001249 0.001582 7C 2dz2 0.000739 -0.001463 0.003766 -0.004993 -0.000759 0.001695 7C 2dxz -0.000054 -0.001565 -0.006339 0.008919 0.002159 -0.005023 7C 2dyz -0.000086 -0.002365 0.000273 -0.000595 0.000468 0.000121 7C 2dx2y2 -0.000882 -0.000111 -0.000349 0.000340 0.000233 0.001060 7C 2dxy -0.001439 -0.001467 -0.005023 0.006899 0.000898 -0.003464 7C 1f0 -0.000099 -0.000380 -0.000973 0.001541 0.000640 -0.001452 7C 1f+1 -0.000287 -0.000699 0.000733 -0.001181 -0.000468 0.001028 7C 1f-1 -0.000112 -0.000837 0.000067 -0.000203 -0.000257 0.000554 7C 1f+2 0.000319 0.000882 0.001183 -0.001925 -0.000946 0.002316 7C 1f-2 -0.000128 -0.000187 0.000564 -0.000860 -0.000038 0.000320 7C 1f+3 0.000089 -0.000082 0.001347 -0.002200 -0.000758 0.002570 7C 1f-3 -0.000095 -0.000422 0.000718 -0.001283 -0.000658 0.001875 8C 1s 0.000925 -0.004629 -0.000147 -0.000199 -0.000119 -0.000133 8C 2s 0.001994 -0.010001 -0.000315 -0.000431 -0.000282 -0.000299 8C 3s -0.002886 0.014689 0.000547 0.000744 0.000574 0.000614 8C 4s -0.005204 0.026394 0.000839 0.000851 0.000074 -0.000158 8C 5s 0.000470 0.003814 0.001610 0.005073 0.018963 0.001957 8C 1pz -0.001289 0.012164 0.015997 0.010611 0.022026 0.009529 8C 1px -0.004708 0.009672 -0.049102 -0.031491 -0.071120 -0.026822 8C 1py 0.003542 -0.020791 -0.009065 -0.006641 -0.012920 -0.005230 8C 2pz -0.000923 0.007801 0.011248 0.007400 0.016174 0.007186 8C 2px -0.002941 0.005670 -0.034981 -0.022561 -0.053045 -0.019926 8C 2py 0.002655 -0.011566 -0.006310 -0.004486 -0.009457 -0.004173 8C 3pz -0.000379 0.000221 0.004599 0.002508 0.003572 0.002645 8C 3px -0.001550 0.003564 -0.016224 -0.010373 -0.021871 -0.008215 8C 3py 0.000398 -0.005875 -0.002590 -0.001162 -0.000457 -0.002146 8C 1dz2 -0.000094 0.000241 -0.000522 -0.000304 -0.000554 -0.000243 8C 1dxz 0.000089 -0.000434 -0.000592 -0.000442 -0.001305 -0.000482 8C 1dyz -0.000198 0.001131 0.000011 0.000007 -0.000337 -0.000112 8C 1dx2y2 -0.000077 0.000822 0.001188 0.000769 0.001456 0.000590 8C 1dxy -0.000288 0.000836 -0.001705 -0.001033 -0.002076 -0.000715 8C 2dz2 -0.000081 -0.000280 -0.000765 -0.000467 -0.000734 -0.000246 8C 2dxz 0.000227 -0.000336 0.001165 0.000795 0.001645 0.000405 8C 2dyz -0.000128 -0.000067 0.001063 0.000685 0.001405 0.000630 8C 2dx2y2 -0.000081 0.000075 0.001621 0.000935 0.001738 0.000688 8C 2dxy -0.000228 0.000124 -0.002716 -0.001625 -0.002856 -0.000991 8C 1f0 0.000018 -0.000110 0.000041 0.000023 0.000043 0.000034 8C 1f+1 0.000018 -0.000030 0.000126 0.000076 0.000083 0.000017 8C 1f-1 0.000013 -0.000196 -0.000614 -0.000377 -0.000729 -0.000302 8C 1f+2 -0.000122 0.000403 -0.000973 -0.000588 -0.001103 -0.000425 8C 1f-2 -0.000010 0.000216 0.000880 0.000536 0.001040 0.000393 8C 1f+3 -0.000061 -0.000027 -0.000890 -0.000543 -0.001069 -0.000364 8C 1f-3 -0.000040 0.000052 -0.001108 -0.000681 -0.001306 -0.000482 9C 1s -0.001294 -0.006060 -0.000440 0.000468 0.000316 -0.000505 9C 2s -0.002794 -0.013071 -0.000941 0.001005 0.000693 -0.001114 9C 3s 0.004207 0.018724 0.001409 -0.001652 -0.001087 0.001787 9C 4s 0.006720 0.036879 0.002580 -0.002127 -0.001744 0.002714 9C 5s 0.003873 -0.002751 0.001833 -0.005860 -0.011450 0.025410 9C 1pz 0.006707 0.028440 0.012007 -0.018458 -0.010763 0.026162 9C 1px -0.002376 0.004590 -0.030708 0.050850 0.025644 -0.072590 9C 1py 0.003067 0.017940 -0.004278 0.008164 0.003988 -0.012052 9C 2pz 0.004334 0.016377 0.008227 -0.012892 -0.007221 0.018335 9C 2px -0.001310 0.002246 -0.021769 0.036363 0.019011 -0.054107 9C 2py 0.001857 0.009702 -0.003085 0.006013 0.003557 -0.009651 9C 3pz 0.000804 0.006955 0.002708 -0.004091 -0.001945 0.003041 9C 3px -0.000990 0.003154 -0.009992 0.016209 0.008196 -0.021657 9C 3py 0.000635 0.004674 -0.002023 0.003778 0.002878 -0.006464 9C 1dz2 -0.000332 -0.001217 -0.000729 0.001091 0.000523 -0.001297 9C 1dxz -0.000006 -0.000494 0.000499 -0.000755 -0.000206 0.000582 9C 1dyz -0.000303 -0.001724 0.000316 -0.000636 -0.000315 0.001091 9C 1dx2y2 0.000216 0.000564 0.000898 -0.001479 -0.000782 0.002241 9C 1dxy 0.000035 -0.000325 0.000608 -0.000948 -0.000396 0.001002 9C 2dz2 -0.000126 0.000008 -0.000904 0.001532 0.000595 -0.001616 9C 2dxz 0.000208 -0.000330 0.001663 -0.002712 -0.001312 0.003250 9C 2dyz -0.000270 0.000526 -0.000039 0.000067 0.000019 -0.000290 9C 2dx2y2 -0.000030 0.000288 0.000099 0.000043 0.000145 -0.000466 9C 2dxy 0.000052 0.000179 0.001291 -0.002068 -0.000740 0.002325 9C 1f0 0.000025 -0.000093 0.000565 -0.000919 -0.000380 0.001080 9C 1f+1 -0.000033 -0.000067 -0.000584 0.000912 0.000377 -0.001108 9C 1f-1 -0.000001 -0.000174 0.000314 -0.000496 -0.000214 0.000563 9C 1f+2 0.000026 0.000407 -0.000184 0.000302 0.000110 -0.000334 9C 1f-2 -0.000149 -0.000434 -0.000857 0.001337 0.000615 -0.001620 9C 1f+3 0.000021 0.000310 -0.000363 0.000593 0.000274 -0.000679 9C 1f-3 0.000053 0.000050 0.000161 -0.000242 -0.000092 0.000247 10H 1s 0.003989 -0.012600 -0.014889 0.024160 -0.012852 0.035161 10H 2s 0.005514 -0.014975 -0.020390 0.033749 -0.018362 0.050076 10H 3s 0.000158 -0.007071 -0.003099 0.004268 -0.001388 0.007292 10H 1pz 0.000229 -0.000020 -0.001512 0.002476 -0.001154 0.003311 10H 1px -0.000526 0.001556 0.001274 -0.002047 0.001108 -0.002826 10H 1py 0.000066 0.000279 -0.000908 0.001503 -0.000748 0.001992 11H 1s 0.001873 -0.011786 0.004444 -0.007862 0.003557 -0.011488 11H 2s 0.001964 -0.014450 0.006020 -0.010946 0.005671 -0.017614 11H 3s 0.001197 -0.003318 0.000215 -0.001198 0.002498 -0.005409 11H 1pz -0.000102 0.000033 0.001036 -0.001715 0.000925 -0.002522 11H 1px 0.000190 -0.000962 -0.000465 0.000729 -0.000393 0.000935 11H 1py -0.000202 0.001432 -0.000485 0.000863 -0.000408 0.001240 12H 1s 0.001416 -0.011416 0.008527 -0.014812 0.007496 -0.021875 12H 2s 0.001487 -0.013896 0.011629 -0.020595 0.011048 -0.032497 12H 3s 0.000270 -0.003835 0.000965 -0.002462 0.002609 -0.008420 12H 1pz -0.000303 0.001405 0.000240 -0.000319 0.000226 -0.000455 12H 1px 0.000116 -0.000578 -0.000292 0.000444 -0.000196 0.000528 12H 1py 0.000011 -0.000778 0.001469 -0.002459 0.001239 -0.003579 13H 1s -0.000029 -0.008751 -0.021714 -0.014400 0.032018 0.012587 13H 2s 0.000564 -0.010350 -0.029683 -0.020067 0.045088 0.017694 13H 3s -0.001177 -0.004522 -0.003683 -0.002003 0.007488 0.002560 13H 1pz 0.000132 -0.000323 -0.002548 -0.001669 0.003491 0.001346 13H 1px 0.000072 0.001128 0.000905 0.000641 -0.001256 -0.000516 13H 1py -0.000179 -0.000311 0.001724 0.001101 -0.002338 -0.000867 14H 1s -0.002209 -0.009819 0.016405 0.010480 -0.024879 -0.009004 14H 2s -0.003065 -0.011871 0.022282 0.014641 -0.036371 -0.013064 14H 3s -0.000040 -0.003255 0.002444 0.001931 -0.008147 -0.002594 14H 1pz -0.000197 -0.000243 0.002338 0.001506 -0.003347 -0.001269 14H 1px -0.000220 -0.000903 0.001184 0.000755 -0.001847 -0.000618 14H 1py -0.000114 -0.000936 -0.000190 -0.000160 0.000254 0.000108 15H 1s -0.001620 -0.009037 0.005775 0.003447 -0.008402 -0.003431 15H 2s -0.001922 -0.010946 0.007858 0.004898 -0.013084 -0.005275 15H 3s -0.001193 -0.000342 0.001052 0.001023 -0.004411 -0.001964 15H 1pz 0.000149 0.001356 -0.000076 -0.000009 0.000174 0.000044 15H 1px 0.000092 0.000077 -0.001474 -0.000955 0.002086 0.000816 15H 1py 0.000105 0.000248 -0.001286 -0.000819 0.001917 0.000794 16H 1s -0.100904 0.093358 -0.001678 0.005772 0.008796 0.011061 16H 2s -0.117180 0.108746 -0.000944 0.004945 0.010501 0.013531 16H 3s -0.028577 0.024724 -0.001290 0.000704 0.003830 -0.001465 16H 1pz -0.006974 0.006455 -0.000254 0.000400 0.000798 0.000702 16H 1px 0.004640 -0.004093 -0.000664 0.000303 -0.000179 0.000133 16H 1py -0.008241 0.007716 -0.000176 0.000666 -0.000318 0.001535 17H 1s 0.101245 -0.093767 -0.002354 -0.004683 -0.000743 -0.013999 17H 2s 0.118109 -0.109888 -0.001089 -0.004629 -0.001148 -0.017127 17H 3s 0.028501 -0.025341 -0.000948 -0.000227 0.003332 -0.001971 17H 1pz -0.001028 0.001057 0.000601 -0.000028 -0.000237 0.000517 17H 1px -0.007607 0.006902 -0.000440 0.000229 -0.000324 0.000611 17H 1py 0.009056 -0.008432 -0.000382 -0.000618 -0.001210 -0.001033 18H 1s 0.099398 0.095717 0.002371 0.004589 -0.000389 -0.014022 18H 2s 0.115942 0.112148 0.001139 0.004600 -0.000689 -0.017126 18H 3s 0.028066 0.025883 0.000962 0.000237 0.003370 -0.001875 18H 1pz 0.001259 0.001316 0.000608 -0.000024 0.000235 -0.000531 18H 1px 0.007541 0.007106 -0.000434 0.000238 0.000332 -0.000603 18H 1py -0.008817 -0.008545 -0.000375 -0.000622 0.001189 0.001040 19H 1s -0.099046 -0.095362 0.001664 -0.005707 0.008515 0.011283 19H 2s -0.115187 -0.111247 0.000959 -0.004827 0.010185 0.013833 19H 3s -0.028139 -0.025415 0.001300 -0.000694 0.003857 -0.001331 19H 1pz 0.006652 0.006412 -0.000255 0.000387 -0.000798 -0.000700 19H 1px -0.004661 -0.004288 -0.000659 0.000304 0.000180 -0.000117 19H 1py 0.008221 0.007997 -0.000188 0.000655 0.000330 -0.001545 20H 1s -0.002157 0.009031 -0.005944 -0.003548 -0.008618 -0.003490 20H 2s -0.002584 0.010949 -0.008075 -0.005031 -0.013400 -0.005361 20H 3s -0.001337 0.000364 -0.001032 -0.001007 -0.004466 -0.001982 20H 1pz -0.000227 0.001357 -0.000096 -0.000021 -0.000196 -0.000048 20H 1px -0.000092 0.000067 -0.001457 -0.000944 -0.002063 -0.000805 20H 1py -0.000120 0.000246 -0.001309 -0.000834 -0.001953 -0.000808 21H 1s -0.002742 0.009824 -0.016270 -0.010380 -0.024668 -0.008890 21H 2s -0.003703 0.011896 -0.022080 -0.014491 -0.036077 -0.012901 21H 3s -0.000262 0.003237 -0.002417 -0.001912 -0.008158 -0.002587 21H 1pz 0.000211 -0.000252 0.002337 0.001504 0.003354 0.001269 21H 1px 0.000266 -0.000901 0.001148 0.000731 0.001796 0.000595 21H 1py 0.000168 -0.000938 -0.000183 -0.000156 -0.000251 -0.000111 22H 1s -0.000541 0.008731 0.021750 0.014412 0.032153 0.012658 22H 2s -0.000048 0.010321 0.029763 0.020100 0.045300 0.017794 22H 3s -0.001448 0.004545 0.003713 0.002022 0.007499 0.002593 22H 1pz -0.000111 -0.000315 -0.002538 -0.001661 -0.003481 -0.001342 22H 1px -0.000136 0.001127 0.000925 0.000654 0.001292 0.000533 22H 1py 0.000196 -0.000307 0.001747 0.001114 0.002367 0.000875 23H 1s 0.001480 0.011438 -0.008332 0.014482 0.007413 -0.021591 23H 2s 0.001583 0.013909 -0.011369 0.020144 0.010938 -0.032121 23H 3s 0.000320 0.003743 -0.000888 0.002372 0.002588 -0.008363 23H 1pz 0.000305 0.001421 0.000235 -0.000310 -0.000219 0.000437 23H 1px -0.000117 -0.000560 -0.000326 0.000502 0.000223 -0.000611 23H 1py -0.000020 -0.000782 0.001447 -0.002422 -0.001233 0.003559 24H 1s 0.001875 0.011827 -0.004608 0.008127 0.003762 -0.012024 24H 2s 0.001964 0.014462 -0.006236 0.011298 0.005966 -0.018377 24H 3s 0.001194 0.003342 -0.000236 0.001250 0.002592 -0.005613 24H 1pz 0.000102 0.000045 0.001056 -0.001746 -0.000948 0.002582 24H 1px -0.000190 -0.000982 -0.000432 0.000675 0.000363 -0.000854 24H 1py 0.000203 0.001423 -0.000488 0.000865 0.000416 -0.001259 25H 1s 0.003991 0.012732 0.014896 -0.024162 -0.012919 0.035305 25H 2s 0.005516 0.015170 0.020389 -0.033735 -0.018452 0.050242 25H 3s 0.000162 0.007079 0.003097 -0.004244 -0.001398 0.007276 25H 1pz -0.000230 -0.000039 -0.001525 0.002494 0.001173 -0.003356 25H 1px 0.000526 0.001568 0.001273 -0.002045 -0.001111 0.002828 25H 1py -0.000056 0.000292 -0.000881 0.001458 0.000732 -0.001944 26O 1s -0.000192 0.006395 -0.006292 0.011002 -0.005629 0.015067 26O 2s -0.000467 0.015332 -0.014952 0.026239 -0.013430 0.035955 26O 3s 0.000672 -0.023368 0.021147 -0.038236 0.019631 -0.052646 26O 4s 0.001996 -0.032398 0.037602 -0.062514 0.031565 -0.083932 26O 5s 0.005302 -0.043937 0.014668 -0.038740 0.030597 -0.089121 26O 1pz -0.000808 -0.008346 0.044105 -0.072919 0.029948 -0.067178 26O 1px -0.008263 -0.024699 0.066264 -0.102308 0.052015 -0.125441 26O 1py -0.005049 -0.016171 0.052053 -0.082780 0.023584 -0.092001 26O 2pz -0.000776 -0.007972 0.038003 -0.061129 0.025712 -0.057112 26O 2px -0.007464 -0.017920 0.055264 -0.083336 0.041028 -0.097768 26O 2py -0.004654 -0.012648 0.043993 -0.068461 0.018650 -0.074897 26O 3pz -0.000462 -0.007318 0.009783 -0.021757 0.018125 -0.040783 26O 3px -0.006021 -0.004502 0.025574 -0.040182 0.023730 -0.051341 26O 3py -0.002147 -0.009372 0.016338 -0.028111 0.010999 -0.047580 26O 1dz2 -0.000020 -0.000384 0.001089 -0.001740 0.000691 -0.001572 26O 1dxz -0.000025 0.000231 -0.000782 0.001284 -0.000521 0.001449 26O 1dyz 0.000027 0.000207 -0.000280 0.000243 -0.000412 0.000983 26O 1dx2y2 0.000113 0.000400 -0.001026 0.001512 -0.000677 0.001725 26O 1dxy 0.000064 0.000627 -0.001503 0.002235 -0.000914 0.002750 26O 2dz2 -0.000226 -0.001154 0.003034 -0.005070 0.002524 -0.005287 26O 2dxz 0.000365 0.000058 -0.000509 0.001098 -0.000118 0.000908 26O 2dyz 0.000133 -0.001266 0.000922 -0.002177 0.000829 -0.003209 26O 2dx2y2 0.000164 0.001085 -0.003067 0.004366 -0.001562 0.004555 26O 2dxy 0.000351 0.000713 -0.002860 0.004106 -0.001198 0.003833 26O 1f0 0.000057 0.000112 -0.000399 0.000598 -0.000260 0.000710 26O 1f+1 0.000088 0.000023 -0.000250 0.000320 -0.000115 0.000406 26O 1f-1 0.000072 -0.000048 -0.000092 -0.000223 0.000044 0.000000 26O 1f+2 -0.000068 -0.000009 0.000267 -0.000263 0.000223 -0.000390 26O 1f-2 -0.000035 -0.000203 0.000552 -0.001010 0.000396 -0.001065 26O 1f+3 -0.000003 -0.000041 0.000095 -0.000224 -0.000019 -0.000257 26O 1f-3 0.000128 0.000180 -0.000718 0.001119 -0.000482 0.001250 27O 1s 0.001498 0.005454 -0.010769 -0.007099 0.015050 0.005708 27O 2s 0.003547 0.013091 -0.025626 -0.016943 0.035890 0.013621 27O 3s -0.004800 -0.020234 0.036582 0.024810 -0.052175 -0.019938 27O 4s -0.009534 -0.026625 0.063435 0.039930 -0.085096 -0.031983 27O 5s -0.008750 -0.030134 0.034636 0.029228 -0.089768 -0.030789 27O 1pz -0.000773 -0.002129 0.033687 0.021452 -0.031629 -0.003122 27O 1px -0.015583 -0.029323 0.123987 0.074537 -0.146065 -0.052508 27O 1py 0.007956 0.015147 -0.083252 -0.052740 0.082512 0.036408 27O 2pz -0.000867 -0.002436 0.028670 0.017907 -0.027880 -0.002766 27O 2px -0.012283 -0.022728 0.101983 0.060208 -0.114614 -0.041192 27O 2py 0.007099 0.012509 -0.070161 -0.043515 0.068929 0.030772 27O 3pz -0.000093 -0.001717 0.007330 0.005753 -0.021969 -0.002033 27O 3px -0.001874 -0.013126 0.043958 0.027321 -0.059139 -0.023607 27O 3py 0.000043 0.011091 -0.022334 -0.016667 0.044659 0.021120 27O 1dz2 -0.000193 -0.000467 0.001862 0.001049 -0.002221 -0.000726 27O 1dxz -0.000002 0.000015 -0.000329 -0.000220 0.000468 0.000158 27O 1dyz -0.000029 0.000016 -0.000321 -0.000322 -0.000241 -0.000121 27O 1dx2y2 0.000310 0.000611 -0.002681 -0.001591 0.002678 0.001021 27O 1dxy -0.000156 -0.000485 0.001943 0.001140 -0.002415 -0.000933 27O 2dz2 -0.000097 -0.000436 0.002917 0.001514 -0.002478 -0.000480 27O 2dxz 0.000070 -0.000357 0.001072 0.000621 -0.001122 -0.000373 27O 2dyz 0.000370 0.000855 -0.002287 -0.001959 0.003688 0.001123 27O 2dx2y2 0.000405 0.002017 -0.006404 -0.003917 0.006319 0.002888 27O 2dxy -0.000104 -0.000343 0.001562 0.000856 -0.001204 -0.000488 27O 1f0 0.000041 0.000078 -0.000365 -0.000355 0.000425 0.000106 27O 1f+1 0.000097 0.000195 -0.000822 -0.000502 0.000902 0.000383 27O 1f-1 -0.000036 -0.000077 0.000251 0.000115 -0.000290 -0.000148 27O 1f+2 -0.000004 0.000032 -0.000010 -0.000166 -0.000055 0.000035 27O 1f-2 0.000008 0.000075 -0.000249 -0.000264 0.000268 0.000046 27O 1f+3 0.000014 0.000028 -0.000214 -0.000016 0.000222 0.000023 27O 1f-3 -0.000157 -0.000251 0.001205 0.000700 -0.001382 -0.000521 28O 1s -0.002203 0.007067 0.006963 -0.011631 0.005640 -0.015540 28O 2s -0.005232 0.016958 0.016562 -0.027752 0.013455 -0.037084 28O 3s 0.007311 -0.026137 -0.023618 0.040601 -0.019669 0.054356 28O 4s 0.013277 -0.034557 -0.040592 0.064998 -0.031201 0.086068 28O 5s 0.012013 -0.042375 -0.021670 0.044894 -0.032175 0.086094 28O 1pz 0.017230 -0.031691 -0.080759 0.126480 -0.055482 0.134744 28O 1px -0.014140 0.025394 0.044799 -0.067090 0.029706 -0.089744 28O 1py 0.006644 -0.011421 -0.031931 0.051798 -0.011828 0.052763 28O 2pz 0.014304 -0.025391 -0.068261 0.104819 -0.045794 0.110188 28O 2px -0.010787 0.018632 0.036563 -0.053758 0.022407 -0.068741 28O 2py 0.006077 -0.009458 -0.027659 0.043635 -0.009909 0.045281 28O 3pz 0.002282 -0.015361 -0.023068 0.040336 -0.026218 0.062957 28O 3px -0.002501 0.008781 0.018077 -0.027909 0.009100 -0.033422 28O 3py -0.000012 -0.009249 -0.006365 0.014006 -0.005170 0.028901 28O 1dz2 -0.000085 0.000212 0.000529 -0.000737 0.000385 -0.001147 28O 1dxz 0.000435 -0.000960 -0.002082 0.003135 -0.001307 0.003399 28O 1dyz -0.000090 0.000278 0.000408 -0.000430 0.000458 -0.001199 28O 1dx2y2 -0.000267 0.000441 0.000903 -0.001289 0.000466 -0.001470 28O 1dxy 0.000073 -0.000274 -0.000622 0.001072 -0.000315 0.000953 28O 2dz2 -0.000032 -0.000254 -0.000205 0.000396 -0.000579 0.000559 28O 2dxz 0.000726 -0.002005 -0.004288 0.006594 -0.002738 0.006724 28O 2dyz 0.000369 -0.001102 -0.000876 0.002027 -0.000817 0.002849 28O 2dx2y2 -0.000240 0.001505 0.002582 -0.003751 0.000953 -0.003961 28O 2dxy 0.000307 -0.000637 -0.000806 0.001674 -0.000780 0.002028 28O 1f0 0.000011 -0.000024 -0.000050 0.000114 -0.000137 0.000090 28O 1f+1 -0.000175 0.000286 0.000713 -0.001064 0.000514 -0.001238 28O 1f-1 0.000093 -0.000221 -0.000324 0.000846 -0.000248 0.000710 28O 1f+2 0.000083 -0.000129 -0.000406 0.000460 -0.000246 0.000605 28O 1f-2 -0.000098 0.000150 0.000383 -0.000474 0.000203 -0.000669 28O 1f+3 0.000001 -0.000038 -0.000047 0.000126 -0.000044 0.000062 28O 1f-3 -0.000086 0.000091 0.000268 -0.000419 0.000178 -0.000502 29O 1s 0.000028 -0.000059 0.000673 -0.000181 0.001930 -0.000758 29O 2s 0.000050 -0.000128 0.001654 -0.000442 0.004645 -0.001822 29O 3s 0.000062 0.000115 -0.003007 0.000771 -0.007301 0.002864 29O 4s -0.000373 0.000276 -0.003668 0.001119 -0.009911 0.003908 29O 5s -0.000693 0.001421 0.000667 -0.000256 -0.009953 0.003627 29O 1pz 0.255110 -0.236231 0.002696 -0.015487 -0.015914 -0.030811 29O 1px 0.094216 -0.087277 -0.010099 -0.002341 0.000998 -0.013433 29O 1py -0.023927 0.022350 0.001947 0.000884 -0.018331 0.010086 29O 2pz 0.209434 -0.193746 0.002676 -0.012941 -0.013217 -0.024911 29O 2px 0.077434 -0.071684 -0.009814 -0.001610 0.001497 -0.011270 29O 2py -0.019601 0.018344 0.001718 0.000738 -0.015023 0.008369 29O 3pz 0.091710 -0.084844 0.001441 -0.007975 -0.005725 -0.010905 29O 3px 0.033593 -0.031088 -0.006311 -0.000579 -0.000541 -0.003856 29O 3py -0.008641 0.007817 0.000253 0.000544 -0.012491 0.005421 29O 1dz2 -0.003408 0.003175 -0.000003 0.000165 0.000170 0.000488 29O 1dxz 0.003119 -0.002915 0.000023 -0.000186 -0.000131 -0.000487 29O 1dyz -0.005977 0.005536 -0.000034 0.000259 0.000337 0.000716 29O 1dx2y2 0.000895 -0.000838 -0.000073 -0.000037 -0.000213 -0.000090 29O 1dxy -0.002633 0.002441 0.000125 0.000076 0.000021 0.000367 29O 2dz2 -0.007851 0.007432 -0.000192 0.000479 0.000083 0.001574 29O 2dxz 0.006505 -0.006245 -0.000174 -0.000376 -0.000464 -0.001515 29O 2dyz -0.015080 0.013951 -0.000185 0.000734 0.000809 0.001787 29O 2dx2y2 0.001592 -0.001548 0.000142 -0.000251 -0.001120 -0.000115 29O 2dxy -0.006362 0.005912 0.000659 0.000085 0.000516 0.000793 29O 1f0 0.001336 -0.001243 0.000095 -0.000128 -0.000124 -0.000175 29O 1f+1 0.001373 -0.001301 -0.000069 -0.000071 -0.000093 -0.000256 29O 1f-1 0.001171 -0.001081 0.000039 -0.000106 -0.000148 -0.000111 29O 1f+2 -0.000107 0.000118 -0.000068 0.000031 0.000033 0.000067 29O 1f-2 -0.002283 0.002114 0.000032 0.000170 0.000082 0.000317 29O 1f+3 0.000618 -0.000582 -0.000068 -0.000043 0.000024 -0.000133 29O 1f-3 0.001084 -0.001001 -0.000097 -0.000068 0.000050 -0.000168 30O 1s -0.000227 0.004806 0.010649 0.007216 -0.015347 -0.005733 30O 2s -0.000537 0.011525 0.025364 0.017239 -0.036641 -0.013686 30O 3s 0.000845 -0.017619 -0.036541 -0.025466 0.053855 0.020102 30O 4s 0.000409 -0.023926 -0.061466 -0.039671 0.084610 0.031520 30O 5s -0.003345 -0.034545 -0.031024 -0.028153 0.083935 0.035806 30O 1pz 0.004150 -0.010946 -0.088348 -0.054976 0.101884 0.027635 30O 1px -0.006569 0.012002 0.049377 0.028030 -0.071099 -0.027028 30O 1py -0.006873 0.015883 0.113440 0.070985 -0.117737 -0.051069 30O 2pz 0.003708 -0.008677 -0.073788 -0.045087 0.082741 0.021750 30O 2px -0.005797 0.007837 0.039797 0.022160 -0.053236 -0.020280 30O 2py -0.006278 0.012581 0.095481 0.058665 -0.096802 -0.042168 30O 3pz 0.002870 -0.003637 -0.028243 -0.019256 0.049688 0.011173 30O 3px -0.004292 0.000248 0.024497 0.013359 -0.025325 -0.007982 30O 3py -0.002699 0.009833 0.033442 0.023110 -0.058155 -0.026462 30O 1dz2 0.000041 -0.000142 -0.000268 -0.000081 0.000486 0.000164 30O 1dxz 0.000082 -0.000332 -0.001977 -0.001176 0.002128 0.000680 30O 1dyz 0.000095 -0.000390 -0.001673 -0.000905 0.002383 0.000946 30O 1dx2y2 -0.000073 -0.000017 -0.000009 -0.000035 0.000185 0.000052 30O 1dxy -0.000078 0.000432 0.002503 0.001557 -0.002432 -0.000978 30O 2dz2 -0.000080 0.000252 -0.000315 0.000097 -0.000030 -0.000426 30O 2dxz 0.000364 -0.000637 -0.005012 -0.003098 0.005357 0.001504 30O 2dyz 0.000316 0.000307 -0.001247 -0.000202 -0.000064 0.000135 30O 2dx2y2 0.000093 0.000749 0.002318 0.001329 -0.002528 -0.001214 30O 2dxy -0.000390 0.001179 0.005737 0.003755 -0.006188 -0.002486 30O 1f0 -0.000048 0.000107 0.000715 0.000571 -0.000763 -0.000326 30O 1f+1 -0.000017 0.000029 0.000291 0.000201 -0.000356 -0.000073 30O 1f-1 -0.000011 0.000063 0.000508 0.000361 -0.000627 -0.000112 30O 1f+2 -0.000001 0.000133 0.000627 0.000549 -0.000694 -0.000284 30O 1f-2 0.000129 -0.000114 -0.001046 -0.000519 0.001192 0.000419 30O 1f+3 -0.000092 0.000049 0.000605 0.000267 -0.000692 -0.000305 30O 1f-3 0.000071 0.000012 -0.000292 -0.000130 0.000313 0.000095 31O 1s 0.000068 -0.004796 -0.010642 -0.007208 -0.015358 -0.005729 31O 2s 0.000170 -0.011501 -0.025348 -0.017219 -0.036668 -0.013678 31O 3s -0.000224 0.017577 0.036525 0.025441 0.053903 0.020091 31O 4s -0.001119 0.023887 0.061390 0.039608 0.084624 0.031485 31O 5s -0.005371 0.034571 0.030931 0.028120 0.084044 0.035898 31O 1pz -0.003334 -0.010784 -0.088278 -0.054858 -0.101935 -0.027636 31O 1px 0.005757 0.011961 0.049374 0.027997 0.071067 0.026942 31O 1py 0.005884 0.015863 0.113378 0.070900 0.117878 0.051128 31O 2pz -0.003079 -0.008546 -0.073746 -0.044997 -0.082799 -0.021757 31O 2px 0.005250 0.007805 0.039809 0.022140 0.053217 0.020207 31O 2py 0.005489 0.012566 0.095443 0.058602 0.096935 0.042220 31O 3pz -0.002567 -0.003489 -0.028216 -0.019160 -0.049664 -0.011116 31O 3px 0.004261 0.000181 0.024555 0.013352 0.025309 0.007894 31O 3py 0.002273 0.009732 0.033458 0.023055 0.058230 0.026468 31O 1dz2 0.000035 0.000141 0.000268 0.000080 0.000485 0.000163 31O 1dxz 0.000059 0.000330 0.001976 0.001174 0.002130 0.000680 31O 1dyz 0.000070 0.000390 0.001671 0.000903 0.002385 0.000948 31O 1dx2y2 -0.000071 0.000016 0.000008 0.000034 0.000186 0.000055 31O 1dxy -0.000051 -0.000432 -0.002501 -0.001555 -0.002434 -0.000978 31O 2dz2 -0.000077 -0.000254 0.000311 -0.000102 -0.000042 -0.000430 31O 2dxz 0.000312 0.000629 0.005016 0.003095 0.005364 0.001503 31O 2dyz 0.000341 -0.000310 0.001250 0.000203 -0.000062 0.000137 31O 2dx2y2 0.000130 -0.000748 -0.002322 -0.001331 -0.002526 -0.001205 31O 2dxy -0.000331 -0.001167 -0.005736 -0.003750 -0.006196 -0.002486 31O 1f0 0.000040 0.000106 0.000716 0.000571 0.000764 0.000325 31O 1f+1 0.000016 0.000027 0.000290 0.000200 0.000356 0.000073 31O 1f-1 0.000006 0.000062 0.000507 0.000360 0.000628 0.000112 31O 1f+2 -0.000006 0.000133 0.000626 0.000548 0.000696 0.000285 31O 1f-2 -0.000121 -0.000113 -0.001046 -0.000518 -0.001192 -0.000419 31O 1f+3 0.000088 0.000049 0.000605 0.000266 0.000693 0.000306 31O 1f-3 -0.000070 0.000011 -0.000293 -0.000129 -0.000313 -0.000095 32O 1s 0.000035 0.000044 -0.000670 0.000175 0.001945 -0.000713 32O 2s 0.000065 0.000089 -0.001648 0.000429 0.004681 -0.001714 32O 3s 0.000067 -0.000027 0.003000 -0.000749 -0.007351 0.002695 32O 4s -0.000526 -0.000303 0.003656 -0.001079 -0.010013 0.003676 32O 5s -0.000460 -0.001129 -0.000730 0.000172 -0.010054 0.003340 32O 1pz -0.251297 -0.242087 0.002567 -0.015319 0.014725 0.031491 32O 1px -0.091515 -0.088144 -0.010129 -0.002171 -0.001587 0.013311 32O 1py 0.017209 0.016556 0.001946 0.000413 0.018892 -0.008820 32O 2pz -0.206315 -0.198566 0.002566 -0.012804 0.012239 0.025481 32O 2px -0.075201 -0.072372 -0.009838 -0.001464 -0.001982 0.011158 32O 2py 0.014117 0.013624 0.001713 0.000349 0.015473 -0.007348 32O 3pz -0.090175 -0.086772 0.001378 -0.007896 0.005177 0.011161 32O 3px -0.032578 -0.031400 -0.006310 -0.000482 0.000308 0.003860 32O 3py 0.006243 0.005681 0.000218 0.000238 0.012722 -0.004846 32O 1dz2 -0.003095 -0.003000 0.000001 -0.000149 0.000146 0.000460 32O 1dxz 0.003184 0.003093 -0.000019 0.000189 -0.000123 -0.000506 32O 1dyz -0.005964 -0.005747 0.000034 -0.000260 0.000318 0.000740 32O 1dx2y2 0.001029 0.001003 0.000074 0.000043 -0.000218 -0.000114 32O 1dxy -0.002465 -0.002376 -0.000125 -0.000068 0.000003 0.000350 32O 2dz2 -0.007050 -0.006948 0.000185 -0.000427 0.000004 0.001487 32O 2dxz 0.006704 0.006685 0.000186 0.000382 -0.000452 -0.001577 32O 2dyz -0.015006 -0.014443 0.000183 -0.000735 0.000738 0.001854 32O 2dx2y2 0.001968 0.001981 -0.000133 0.000281 -0.001137 -0.000190 32O 2dxy -0.006007 -0.005812 -0.000657 -0.000061 0.000469 0.000765 32O 1f0 -0.001269 -0.001229 0.000091 -0.000125 0.000112 0.000175 32O 1f+1 -0.001401 -0.001380 -0.000072 -0.000071 0.000087 0.000266 32O 1f-1 -0.001206 -0.001159 0.000041 -0.000110 0.000149 0.000119 32O 1f+2 0.000108 0.000123 -0.000071 0.000033 -0.000037 -0.000067 32O 1f-2 0.002217 0.002135 0.000030 0.000166 -0.000073 -0.000317 32O 1f+3 -0.000518 -0.000508 -0.000066 -0.000038 -0.000030 0.000120 32O 1f-3 -0.001059 -0.001017 -0.000097 -0.000067 -0.000054 0.000169 33O 1s -0.002202 -0.007138 -0.006949 0.011603 0.005660 -0.015585 33O 2s -0.005231 -0.017129 -0.016530 0.027685 0.013502 -0.037192 33O 3s 0.007297 0.026385 0.023572 -0.040505 -0.019734 0.054510 33O 4s 0.013308 0.034953 0.040512 -0.064843 -0.031323 0.086339 33O 5s 0.012320 0.042546 0.021624 -0.044797 -0.032275 0.086266 33O 1pz -0.017133 -0.032261 -0.080505 0.126000 0.055610 -0.134955 33O 1px 0.014044 0.025926 0.044734 -0.066962 -0.029901 0.090155 33O 1py -0.006513 -0.011688 -0.031941 0.051836 0.011986 -0.053052 33O 2pz -0.014207 -0.025884 -0.068053 0.104419 0.045902 -0.110372 33O 2px 0.010685 0.019058 0.036516 -0.053660 -0.022562 0.069076 33O 2py -0.005987 -0.009690 -0.027673 0.043671 0.010044 -0.045530 33O 3pz -0.002142 -0.015520 -0.022921 0.040015 0.026186 -0.062860 33O 3px 0.002282 0.008991 0.018046 -0.027811 -0.009165 0.033554 33O 3py 0.000143 -0.009290 -0.006339 0.013967 0.005199 -0.028922 33O 1dz2 -0.000085 -0.000212 -0.000524 0.000729 0.000383 -0.001140 33O 1dxz 0.000435 0.000972 0.002077 -0.003126 -0.001312 0.003408 33O 1dyz -0.000090 -0.000282 -0.000409 0.000431 0.000459 -0.001203 33O 1dx2y2 -0.000266 -0.000450 -0.000902 0.001287 0.000470 -0.001478 33O 1dxy 0.000071 0.000278 0.000624 -0.001075 -0.000319 0.000961 33O 2dz2 -0.000022 0.000254 0.000214 -0.000406 -0.000588 0.000581 33O 2dxz 0.000703 0.002046 0.004275 -0.006567 -0.002742 0.006734 33O 2dyz 0.000372 0.001105 0.000870 -0.002014 -0.000818 0.002849 33O 2dx2y2 -0.000221 -0.001521 -0.002580 0.003746 0.000962 -0.003983 33O 2dxy 0.000300 0.000657 0.000811 -0.001681 -0.000784 0.002040 33O 1f0 -0.000012 -0.000024 -0.000048 0.000111 0.000135 -0.000086 33O 1f+1 0.000173 0.000292 0.000709 -0.001057 -0.000514 0.001237 33O 1f-1 -0.000092 -0.000225 -0.000324 0.000846 0.000250 -0.000713 33O 1f+2 -0.000082 -0.000133 -0.000405 0.000458 0.000248 -0.000607 33O 1f-2 0.000097 0.000155 0.000384 -0.000475 -0.000206 0.000673 33O 1f+3 -0.000001 -0.000039 -0.000047 0.000126 0.000044 -0.000064 33O 1f-3 0.000086 0.000095 0.000269 -0.000420 -0.000179 0.000505 34O 1s 0.001812 -0.005459 0.010761 0.007083 0.015057 0.005713 34O 2s 0.004300 -0.013104 0.025607 0.016904 0.035906 0.013632 34O 3s -0.005942 0.020260 -0.036550 -0.024751 -0.052186 -0.019948 34O 4s -0.011155 0.026620 -0.063416 -0.039857 -0.085201 -0.032034 34O 5s -0.010676 0.030192 -0.034629 -0.029110 -0.089857 -0.030860 34O 1pz 0.000959 -0.002125 0.033665 0.021384 0.031567 0.003035 34O 1px 0.017253 -0.029428 0.123911 0.074376 0.146193 0.052594 34O 1py -0.008663 0.015192 -0.083253 -0.052728 -0.082574 -0.036352 34O 2pz 0.001041 -0.002441 0.028654 0.017848 0.027832 0.002701 34O 2px 0.013543 -0.022808 0.101911 0.060078 0.114695 0.041247 34O 2py -0.007696 0.012528 -0.070151 -0.043501 -0.068967 -0.030719 34O 3pz 0.000316 -0.001719 0.007298 0.005697 0.021908 0.001968 34O 3px 0.002384 -0.013249 0.043901 0.027235 0.059107 0.023591 34O 3py -0.000454 0.011241 -0.022351 -0.016654 -0.044659 -0.021086 34O 1dz2 -0.000220 0.000468 -0.001861 -0.001047 -0.002223 -0.000727 34O 1dxz 0.000000 -0.000014 0.000328 0.000219 0.000465 0.000155 34O 1dyz -0.000029 -0.000015 0.000321 0.000323 -0.000240 -0.000121 34O 1dx2y2 0.000346 -0.000611 0.002680 0.001588 0.002681 0.001023 34O 1dxy -0.000180 0.000486 -0.001943 -0.001139 -0.002416 -0.000932 34O 2dz2 -0.000122 0.000442 -0.002914 -0.001510 -0.002475 -0.000477 34O 2dxz 0.000050 0.000362 -0.001071 -0.000619 -0.001127 -0.000380 34O 2dyz 0.000423 -0.000859 0.002287 0.001955 0.003688 0.001120 34O 2dx2y2 0.000495 -0.002023 0.006399 0.003912 0.006317 0.002885 34O 2dxy -0.000106 0.000351 -0.001560 -0.000856 -0.001192 -0.000477 34O 1f0 -0.000045 0.000077 -0.000365 -0.000354 -0.000423 -0.000105 34O 1f+1 -0.000107 0.000196 -0.000821 -0.000501 -0.000903 -0.000383 34O 1f-1 0.000038 -0.000077 0.000251 0.000115 0.000289 0.000148 34O 1f+2 0.000002 0.000032 -0.000011 -0.000166 0.000053 -0.000036 34O 1f-2 -0.000013 0.000075 -0.000248 -0.000263 -0.000268 -0.000045 34O 1f+3 -0.000016 0.000029 -0.000213 -0.000015 -0.000221 -0.000024 34O 1f-3 0.000169 -0.000253 0.001205 0.000699 0.001382 0.000520 35O 1s -0.000221 -0.006389 0.006259 -0.010943 -0.005644 0.015092 35O 2s -0.000536 -0.015317 0.014873 -0.026099 -0.013465 0.036016 35O 3s 0.000772 0.023340 -0.021034 0.038028 0.019680 -0.052733 35O 4s 0.002158 0.032411 -0.037410 0.062196 0.031648 -0.084075 35O 5s 0.005375 0.043910 -0.014432 0.038349 0.030696 -0.089185 35O 1pz 0.000656 -0.008212 0.043950 -0.072633 -0.030108 0.067432 35O 1px 0.007995 -0.024297 0.065988 -0.101810 -0.052101 0.125564 35O 1py 0.004940 -0.016048 0.051972 -0.082649 -0.023803 0.092457 35O 2pz 0.000660 -0.007861 0.037871 -0.060885 -0.025846 0.057329 35O 2px 0.007253 -0.017580 0.055060 -0.082951 -0.041099 0.097887 35O 2py 0.004566 -0.012539 0.043942 -0.068368 -0.018833 0.075288 35O 3pz 0.000365 -0.007226 0.009726 -0.021589 -0.018179 0.040844 35O 3px 0.005850 -0.004289 0.025518 -0.039982 -0.023716 0.051334 35O 3py 0.002114 -0.009333 0.016322 -0.028042 -0.011083 0.047761 35O 1dz2 -0.000017 0.000382 -0.001087 0.001736 0.000695 -0.001579 35O 1dxz -0.000029 -0.000231 0.000778 -0.001277 -0.000524 0.001452 35O 1dyz 0.000027 -0.000205 0.000278 -0.000239 -0.000413 0.000985 35O 1dx2y2 0.000107 -0.000395 0.001020 -0.001503 -0.000678 0.001724 35O 1dxy 0.000061 -0.000625 0.001499 -0.002228 -0.000920 0.002761 35O 2dz2 -0.000207 0.001138 -0.003029 0.005053 0.002530 -0.005303 35O 2dxz 0.000363 -0.000045 0.000503 -0.001088 -0.000121 0.000913 35O 2dyz 0.000129 0.001268 -0.000922 0.002177 0.000836 -0.003223 35O 2dx2y2 0.000156 -0.001077 0.003057 -0.004344 -0.001562 0.004554 35O 2dxy 0.000352 -0.000698 0.002863 -0.004104 -0.001208 0.003858 35O 1f0 -0.000056 0.000109 -0.000397 0.000595 0.000261 -0.000711 35O 1f+1 -0.000087 0.000021 -0.000250 0.000319 0.000115 -0.000407 35O 1f-1 -0.000072 -0.000050 -0.000092 -0.000223 -0.000044 -0.000000 35O 1f+2 0.000067 -0.000005 0.000265 -0.000259 -0.000222 0.000389 35O 1f-2 0.000033 -0.000200 0.000550 -0.001006 -0.000398 0.001069 35O 1f+3 0.000003 -0.000043 0.000097 -0.000227 0.000017 0.000263 35O 1f-3 -0.000125 0.000175 -0.000717 0.001116 0.000484 -0.001254 78 79 80 81 82 83 -0.46019 -0.45719 -0.45470 -0.45373 -0.44572 -0.44303 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s -0.000055 0.000061 -0.000055 -0.001305 -0.000088 -0.000025 0Rh 2s 0.000208 -0.000219 0.000214 0.004900 0.000330 0.000097 0Rh 3s -0.000187 0.000218 -0.000185 -0.004510 -0.000307 -0.000085 0Rh 4s -0.000880 0.000917 -0.000903 -0.020681 -0.001389 -0.000410 0Rh 5s 0.000767 -0.000555 0.000696 0.015393 0.000964 0.000311 0Rh 6s 0.001024 -0.001972 0.001404 0.033210 0.002450 0.000660 0Rh 7s -0.000439 0.001964 -0.000092 -0.016322 -0.000904 -0.001356 0Rh 8s -0.000576 0.014779 -0.007878 0.009874 0.001299 -0.002155 0Rh 1pz 0.000100 -0.001083 -0.003532 0.002207 0.000115 0.000407 0Rh 1px -0.000128 -0.001256 -0.001056 -0.006246 -0.000600 -0.000079 0Rh 1py 0.000133 0.003741 -0.001284 -0.001413 -0.000011 0.001857 0Rh 2pz -0.000338 0.003652 0.011904 -0.007468 -0.000393 -0.001371 0Rh 2px 0.000436 0.004234 0.003565 0.021143 0.002029 0.000270 0Rh 2py -0.000450 -0.012614 0.004329 0.004777 0.000039 -0.006259 0Rh 3pz 0.000284 -0.002781 -0.009022 0.006171 0.000360 0.001008 0Rh 3px -0.000386 -0.003215 -0.002770 -0.017585 -0.001650 -0.000237 0Rh 3py 0.000356 0.009631 -0.003335 -0.003855 -0.000052 0.004712 0Rh 4pz 0.000367 -0.005019 -0.016429 0.008645 0.000309 0.001949 0Rh 4px -0.000415 -0.005891 -0.004700 -0.024039 -0.002445 -0.000250 0Rh 4py 0.000604 0.017248 -0.005798 -0.005911 0.000030 0.008790 0Rh 5pz 0.000176 0.000148 0.000482 0.002137 0.000471 0.000127 0Rh 5px -0.000242 0.000306 -0.000209 -0.006799 -0.000423 -0.000324 0Rh 5py -0.000133 -0.000361 -0.000024 -0.000362 -0.000140 -0.000103 0Rh 6pz -0.000873 0.004685 0.016813 -0.020652 -0.003696 -0.007965 0Rh 6px 0.001082 0.007130 0.007028 0.052106 0.003635 0.003577 0Rh 6py 0.002019 -0.018505 0.005047 0.001323 -0.000603 -0.017271 0Rh 1dz2 -0.023262 -0.004350 -0.014075 -0.000912 0.001852 -0.000216 0Rh 1dxz -0.010674 0.005473 0.023117 -0.001972 -0.000922 0.000684 0Rh 1dyz 0.011235 0.011365 0.001721 -0.001373 0.006928 -0.000970 0Rh 1dx2y2 -0.016876 0.013263 0.004813 0.002649 0.001358 -0.000478 0Rh 1dxy -0.001926 -0.028280 0.010946 0.000306 0.003104 0.002990 0Rh 2dz2 0.000440 0.000078 0.000289 -0.000008 -0.000034 0.000013 0Rh 2dxz 0.000204 -0.000112 -0.000490 0.000017 0.000022 -0.000022 0Rh 2dyz -0.000207 -0.000225 -0.000053 0.000022 -0.000119 0.000030 0Rh 2dx2y2 0.000318 -0.000260 -0.000100 -0.000018 -0.000024 0.000018 0Rh 2dxy 0.000034 0.000568 -0.000237 0.000008 -0.000060 -0.000105 0Rh 3dz2 0.033647 0.006288 0.020252 0.001388 -0.002673 0.000279 0Rh 3dxz 0.015459 -0.007889 -0.033266 0.002932 0.001328 -0.000960 0Rh 3dyz -0.016292 -0.016403 -0.002397 0.001966 -0.010061 0.001368 0Rh 3dx2y2 0.024438 -0.019130 -0.006917 -0.003969 -0.001979 0.000663 0Rh 3dxy 0.002796 0.040814 -0.015736 -0.000512 -0.004487 -0.004165 0Rh 4dz2 0.044699 0.008478 0.027185 0.001675 -0.003473 0.000466 0Rh 4dxz 0.020428 -0.010595 -0.044675 0.003771 0.001822 -0.001358 0Rh 4dyz -0.021489 -0.022018 -0.003560 0.002639 -0.013061 0.001939 0Rh 4dx2y2 0.032369 -0.025834 -0.009288 -0.005064 -0.002626 0.000996 0Rh 4dxy 0.003685 0.054894 -0.021221 -0.000583 -0.005955 -0.006153 0Rh 5dz2 0.036981 0.006458 0.022086 0.000391 -0.004161 0.000547 0Rh 5dxz 0.017168 -0.008539 -0.035951 0.001019 0.001229 -0.001324 0Rh 5dyz -0.018134 -0.017609 -0.001951 0.002307 -0.013530 0.001782 0Rh 5dx2y2 0.027042 -0.019967 -0.007635 -0.000804 -0.001973 0.000731 0Rh 5dxy 0.003037 0.042844 -0.016720 0.001320 -0.005549 -0.004503 0Rh 1f0 0.000490 -0.000125 -0.000338 -0.001032 -0.001207 0.001148 0Rh 1f+1 -0.000563 -0.000373 -0.000648 0.000879 0.001551 -0.000073 0Rh 1f-1 -0.000397 0.000090 -0.000220 0.000408 -0.001669 0.002502 0Rh 1f+2 -0.000226 -0.000095 0.000751 0.001703 -0.000921 0.000873 0Rh 1f-2 0.000232 0.000380 0.000235 0.000339 0.003369 0.001167 0Rh 1f+3 0.000734 -0.000558 -0.000051 0.001795 -0.000204 0.000371 0Rh 1f-3 0.000238 0.000639 -0.000261 0.001344 -0.001894 -0.001375 1Rh 1s -0.000054 -0.000069 -0.000022 -0.001306 -0.000089 0.000024 1Rh 2s 0.000207 0.000248 0.000073 0.004901 0.000332 -0.000090 1Rh 3s -0.000186 -0.000243 -0.000080 -0.004510 -0.000309 0.000081 1Rh 4s -0.000875 -0.001036 -0.000308 -0.020685 -0.001397 0.000381 1Rh 5s 0.000763 0.000647 0.000204 0.015399 0.000968 -0.000278 1Rh 6s 0.001016 0.002155 0.000547 0.033212 0.002472 -0.000654 1Rh 7s -0.000438 -0.002018 -0.000874 -0.016292 -0.000955 0.001417 1Rh 8s -0.000592 -0.014843 0.008215 0.009488 0.001079 0.002113 1Rh 1pz -0.000055 -0.001105 -0.003644 -0.002004 -0.000099 0.000413 1Rh 1px 0.000143 -0.001234 -0.000705 0.006301 0.000602 -0.000093 1Rh 1py -0.000134 0.003747 -0.001197 0.001466 0.000043 0.001856 1Rh 2pz 0.000188 0.003725 0.012284 0.006783 0.000339 -0.001391 1Rh 2px -0.000486 0.004161 0.002375 -0.021329 -0.002035 0.000314 1Rh 2py 0.000453 -0.012634 0.004036 -0.004957 -0.000147 -0.006254 1Rh 3pz -0.000168 -0.002842 -0.009338 -0.005649 -0.000320 0.001025 1Rh 3px 0.000425 -0.003153 -0.001780 0.017729 0.001657 -0.000271 1Rh 3py -0.000356 0.009648 -0.003097 0.003995 0.000132 0.004708 1Rh 4pz -0.000164 -0.005102 -0.016863 -0.007711 -0.000234 0.001972 1Rh 4px 0.000484 -0.005815 -0.003352 0.024291 0.002446 -0.000310 1Rh 4py -0.000618 0.017270 -0.005439 0.006148 0.000128 0.008784 1Rh 5pz -0.000176 0.000135 0.000360 -0.002145 -0.000471 0.000132 1Rh 5px 0.000241 0.000343 0.000180 0.006804 0.000435 -0.000321 1Rh 5py 0.000141 -0.000356 0.000000 0.000373 0.000122 -0.000103 1Rh 6pz 0.000632 0.004724 0.017996 0.019567 0.003595 -0.007995 1Rh 6px -0.001202 0.006896 0.004129 -0.052576 -0.003704 0.003618 1Rh 6py -0.001935 -0.018490 0.005027 -0.001619 0.000492 -0.017321 1Rh 1dz2 -0.023377 0.004263 0.013875 -0.001712 0.001793 0.000211 1Rh 1dxz -0.010522 -0.005541 -0.023269 -0.000643 -0.000794 -0.000658 1Rh 1dyz 0.011279 -0.011338 -0.001683 -0.001210 0.006908 0.000958 1Rh 1dx2y2 -0.016804 -0.013322 -0.004738 0.002982 0.001352 0.000441 1Rh 1dxy -0.001982 0.028304 -0.010891 0.000800 0.003216 -0.003017 1Rh 2dz2 0.000442 -0.000077 -0.000286 0.000009 -0.000033 -0.000013 1Rh 2dxz 0.000201 0.000113 0.000492 -0.000011 0.000019 0.000021 1Rh 2dyz -0.000208 0.000225 0.000052 0.000018 -0.000118 -0.000030 1Rh 2dx2y2 0.000316 0.000261 0.000100 -0.000026 -0.000025 -0.000017 1Rh 2dxy 0.000035 -0.000568 0.000237 -0.000002 -0.000062 0.000106 1Rh 3dz2 0.033812 -0.006160 -0.019959 0.002539 -0.002588 -0.000271 1Rh 3dxz 0.015242 0.007987 0.033491 0.001020 0.001143 0.000924 1Rh 3dyz -0.016354 0.016363 0.002340 0.001736 -0.010033 -0.001350 1Rh 3dx2y2 0.024335 0.019216 0.006802 -0.004447 -0.001968 -0.000610 1Rh 3dxy 0.002879 -0.040851 0.015654 -0.001221 -0.004652 0.004203 1Rh 4dz2 0.044924 -0.008313 -0.026805 0.003223 -0.003358 -0.000461 1Rh 4dxz 0.020135 0.010724 0.044967 0.001199 0.001576 0.001305 1Rh 4dyz -0.021575 0.021968 0.003488 0.002312 -0.013025 -0.001921 1Rh 4dx2y2 0.032228 0.025948 0.009143 -0.005711 -0.002621 -0.000922 1Rh 4dxy 0.003797 -0.054940 0.021110 -0.001540 -0.006168 0.006206 1Rh 5dz2 0.037154 -0.006309 -0.021832 0.001637 -0.004077 -0.000513 1Rh 5dxz 0.016938 0.008636 0.036071 -0.001034 0.001023 0.001308 1Rh 5dyz -0.018190 0.017560 0.001886 0.002085 -0.013508 -0.001747 1Rh 5dx2y2 0.026936 0.020076 0.007719 -0.001331 -0.001938 -0.000696 1Rh 5dxy 0.003118 -0.042872 0.016745 0.000559 -0.005729 0.004536 1Rh 1f0 -0.000499 -0.000125 -0.000276 0.001054 0.001221 0.001137 1Rh 1f+1 0.000560 -0.000366 -0.000706 -0.000839 -0.001547 -0.000062 1Rh 1f-1 0.000397 0.000092 -0.000238 -0.000391 0.001692 0.002487 1Rh 1f+2 0.000218 -0.000114 0.000663 -0.001740 0.000925 0.000870 1Rh 1f-2 -0.000237 0.000381 0.000193 -0.000351 -0.003360 0.001194 1Rh 1f+3 -0.000729 -0.000563 -0.000153 -0.001788 0.000204 0.000369 1Rh 1f-3 -0.000239 0.000625 -0.000333 -0.001331 0.001888 -0.001389 2C 1s 0.000253 -0.002786 0.009481 0.006077 0.006735 0.001727 2C 2s 0.000542 -0.006001 0.020409 0.013077 0.014435 0.003686 2C 3s -0.001126 0.009844 -0.033420 -0.022163 -0.023986 -0.006601 2C 4s -0.000169 0.011610 -0.039160 -0.021449 -0.025769 -0.002202 2C 5s 0.002798 0.012483 -0.044303 -0.003572 -0.112168 -0.009474 2C 1pz -0.033758 -0.016579 0.106789 0.066810 0.084188 0.066395 2C 1px -0.022506 0.000345 0.028299 0.017569 0.020807 0.030824 2C 1py 0.059812 -0.038045 0.057652 0.040394 0.055835 -0.049720 2C 2pz -0.027117 -0.012691 0.085514 0.056136 0.069312 0.055494 2C 2px -0.018098 -0.000172 0.023935 0.015691 0.019232 0.024699 2C 2py 0.049281 -0.030369 0.045569 0.033778 0.045110 -0.037646 2C 3pz -0.007895 -0.003735 0.028277 0.024092 0.005107 0.021952 2C 3px -0.005251 0.002869 0.002465 0.003238 -0.003568 0.011498 2C 3py 0.014703 -0.010751 0.015183 0.015451 0.004780 -0.016287 2C 1dz2 -0.000992 -0.000823 0.004234 0.002695 0.003369 0.001817 2C 1dxz 0.001079 -0.000847 0.001571 0.001056 0.001440 -0.000948 2C 1dyz 0.000667 -0.001935 0.006245 0.004093 0.005148 0.001213 2C 1dx2y2 -0.000379 0.000551 -0.001646 -0.001053 -0.001429 -0.000466 2C 1dxy -0.002205 0.000340 0.001639 0.000953 0.001018 0.002858 2C 2dz2 -0.003372 0.000311 0.004154 0.002972 0.003912 0.004551 2C 2dxz -0.000714 0.000150 0.000673 0.000862 0.000218 0.001048 2C 2dyz 0.002503 -0.002743 0.007064 0.005564 0.008189 0.001046 2C 2dx2y2 -0.002147 0.000998 -0.001136 -0.001119 -0.001031 0.000594 2C 2dxy -0.001702 0.000208 0.002416 0.001779 0.002363 0.002620 2C 1f0 -0.000929 0.000315 -0.000051 -0.000063 -0.000067 0.000711 2C 1f+1 -0.000643 0.000082 0.000488 0.000330 0.000438 0.000743 2C 1f-1 -0.000067 -0.000193 0.000912 0.000692 0.001046 0.000493 2C 1f+2 -0.000917 0.000284 0.000086 -0.000057 -0.000235 0.000581 2C 1f-2 -0.000074 0.000111 -0.000304 -0.000111 -0.000172 0.000023 2C 1f+3 0.000228 -0.000316 0.000873 0.000583 0.000767 0.000012 2C 1f-3 0.000332 -0.000186 0.000308 0.000216 0.000360 -0.000109 3C 1s -0.000227 0.009739 0.002899 0.007542 -0.005562 -0.002102 3C 2s -0.000486 0.021010 0.006247 0.016254 -0.011936 -0.004508 3C 3s 0.000506 -0.035609 -0.010675 -0.028323 0.020476 0.007956 3C 4s 0.002534 -0.034097 -0.009762 -0.022621 0.018040 0.005136 3C 5s 0.003367 -0.043309 -0.012185 -0.036251 0.109472 0.013555 3C 1pz -0.060214 0.046845 0.039397 0.043542 -0.038853 -0.100863 3C 1px -0.011200 0.037798 0.016516 0.030621 -0.027790 -0.027226 3C 1py -0.038844 -0.107032 -0.015383 -0.083570 0.070307 -0.031018 3C 2pz -0.048876 0.037198 0.031793 0.035864 -0.030493 -0.080858 3C 2px -0.009123 0.031853 0.014065 0.027171 -0.024401 -0.022656 3C 2py -0.032647 -0.087974 -0.013136 -0.071764 0.059399 -0.022936 3C 3pz -0.014017 0.015809 0.013680 0.016193 -0.004736 -0.031605 3C 3px -0.001859 0.009302 0.003017 0.006038 0.001567 -0.008922 3C 3py -0.011000 -0.028190 -0.003336 -0.023092 0.000177 -0.011501 3C 1dz2 -0.002402 -0.001593 0.000459 -0.001081 0.000810 -0.002622 3C 1dxz 0.000187 0.001957 0.000466 0.001586 -0.001327 0.000098 3C 1dyz -0.000744 -0.005603 -0.001329 -0.004471 0.003698 -0.000138 3C 1dx2y2 0.000742 -0.003697 -0.001437 -0.003063 0.002621 0.002503 3C 1dxy 0.000992 -0.003247 -0.001405 -0.002694 0.002314 0.002390 3C 2dz2 -0.004403 -0.002799 0.001099 -0.002173 0.002005 -0.004062 3C 2dxz -0.000980 0.001587 0.000781 0.001530 -0.001080 -0.001561 3C 2dyz 0.000980 -0.007642 -0.002945 -0.007820 0.007494 0.003126 3C 2dx2y2 -0.001614 -0.004113 -0.000764 -0.003874 0.002911 0.000359 3C 2dxy 0.000416 -0.003729 -0.001376 -0.003454 0.002984 0.002295 3C 1f0 0.000065 -0.000996 -0.000333 -0.000896 0.000809 0.000439 3C 1f+1 -0.000414 -0.000112 0.000124 -0.000026 -0.000013 -0.000415 3C 1f-1 0.001130 -0.000372 -0.000512 -0.000435 0.000426 0.001193 3C 1f+2 -0.000049 0.000124 0.000019 -0.000056 0.000104 0.000029 3C 1f-2 0.000436 -0.000067 -0.000226 -0.000203 0.000270 0.000615 3C 1f+3 0.000483 0.000824 0.000072 0.000703 -0.000687 0.000240 3C 1f-3 -0.000601 -0.000663 0.000003 -0.000584 0.000537 -0.000435 4C 1s 0.000044 0.000914 -0.002111 -0.000674 0.000788 -0.002192 4C 2s 0.000078 0.002027 -0.004722 -0.001614 0.001740 -0.004858 4C 3s 0.000500 -0.003413 0.008097 0.006867 -0.006018 0.010271 4C 4s -0.002894 -0.004513 0.007165 -0.025247 0.004811 -0.001959 4C 5s 0.000554 -0.009863 0.028018 -0.001548 0.036311 0.007788 4C 1pz -0.055636 0.054432 -0.128375 -0.087310 -0.118316 0.016851 4C 1px -0.036430 0.018493 -0.022506 -0.015898 -0.024289 0.024037 4C 1py 0.092428 -0.004936 -0.104764 -0.063761 -0.078963 -0.102033 4C 2pz -0.045885 0.042315 -0.087814 -0.063880 -0.072541 0.019722 4C 2px -0.030140 0.013458 -0.014711 -0.010414 -0.014553 0.021538 4C 2py 0.077436 -0.010091 -0.075726 -0.046964 -0.048274 -0.082365 4C 3pz -0.014098 0.011444 -0.020282 0.001019 -0.084483 0.009034 4C 3px -0.007895 -0.000821 -0.001345 -0.001739 -0.015853 0.003972 4C 3py 0.025016 -0.004326 -0.017294 -0.001460 -0.057457 -0.014278 4C 1dz2 -0.001431 0.000736 -0.000775 -0.000511 -0.000536 0.001188 4C 1dxz -0.000609 0.000367 -0.000630 -0.000319 -0.000413 0.000752 4C 1dyz 0.000787 0.000190 -0.001644 -0.001105 -0.000885 -0.000336 4C 1dx2y2 -0.001082 0.000090 0.000843 0.000276 0.000329 -0.000076 4C 1dxy -0.000182 0.000117 -0.000261 -0.000240 -0.000237 -0.000126 4C 2dz2 -0.004653 0.003470 -0.003762 -0.003517 -0.003936 -0.000717 4C 2dxz -0.001942 0.001094 -0.002130 -0.000435 -0.001560 0.000213 4C 2dyz 0.002188 0.000040 -0.005190 -0.004691 -0.005453 -0.003086 4C 2dx2y2 -0.003400 0.000776 0.002996 0.000867 0.001239 -0.000088 4C 2dxy -0.001024 0.000052 -0.000514 -0.001070 -0.001358 -0.000235 4C 1f0 -0.000933 0.000202 0.000912 0.000719 0.000684 0.001181 4C 1f+1 0.000580 -0.000573 0.001639 0.001449 0.001546 0.000367 4C 1f-1 -0.000274 0.000504 -0.001225 -0.000619 -0.000972 0.000046 4C 1f+2 -0.001738 0.000853 -0.000582 -0.000880 -0.000832 0.001011 4C 1f-2 -0.001872 0.000747 -0.000246 -0.000186 -0.000401 0.001449 4C 1f+3 0.002044 -0.000512 -0.000710 -0.000424 -0.000345 -0.001803 4C 1f-3 -0.001401 0.000070 0.001799 0.001353 0.001423 0.001799 5C 1s 0.000100 -0.002973 -0.000356 -0.000671 -0.000889 0.001697 5C 2s 0.000215 -0.006597 -0.000813 -0.001595 -0.001995 0.003764 5C 3s -0.000542 0.012030 0.001848 0.006790 0.006559 -0.008521 5C 4s 0.000155 0.008275 -0.001447 -0.026669 -0.006051 0.004011 5C 5s -0.005282 0.026971 0.008125 0.007162 -0.034052 -0.014056 5C 1pz -0.095073 -0.091436 0.009501 -0.067478 0.057277 -0.086605 5C 1px -0.017664 -0.053858 -0.008894 -0.045501 0.037774 -0.009878 5C 1py -0.060987 0.123800 0.062643 0.109099 -0.098268 -0.097416 5C 2pz -0.079001 -0.064585 0.013721 -0.046760 0.033151 -0.075996 5C 2px -0.013825 -0.038863 -0.003932 -0.033119 0.022323 -0.009645 5C 2py -0.052098 0.082186 0.047774 0.074901 -0.057356 -0.077932 5C 3pz -0.022195 -0.011414 0.002840 -0.013966 0.049008 -0.016072 5C 3px -0.005254 -0.012110 0.002762 -0.007233 0.029804 -0.001327 5C 3py -0.017771 0.013060 0.010976 0.020963 -0.080226 -0.015502 5C 1dz2 -0.001573 -0.000018 0.000578 0.000237 -0.000164 -0.001479 5C 1dxz -0.000751 -0.000853 0.000045 -0.000468 0.000344 -0.000895 5C 1dyz 0.000792 0.001330 0.000134 0.001063 -0.000565 0.000425 5C 1dx2y2 -0.000878 0.001092 0.000646 0.000744 -0.000553 -0.000034 5C 1dxy -0.000047 0.001045 0.000305 0.000848 -0.000510 0.000203 5C 2dz2 -0.005180 -0.000297 0.002316 0.001967 -0.001083 -0.002647 5C 2dxz -0.002087 -0.003457 -0.000128 -0.002295 0.001671 -0.000051 5C 2dyz 0.002560 0.005644 0.000928 0.006306 -0.004891 -0.002525 5C 2dx2y2 -0.002107 0.004753 0.003075 0.003326 -0.003196 0.000233 5C 2dxy 0.000276 0.004313 0.001277 0.004071 -0.003222 -0.000149 5C 1f0 0.000876 0.001686 0.000191 0.001319 -0.001106 0.000461 5C 1f+1 0.001387 0.001554 -0.000047 0.001442 -0.001013 0.000925 5C 1f-1 0.002473 0.000388 -0.000970 0.000033 -0.000011 0.002706 5C 1f+2 -0.001980 0.000530 0.000917 0.000503 -0.000548 -0.002078 5C 1f-2 0.000860 -0.000444 -0.000595 -0.000771 0.000529 0.001352 5C 1f+3 0.000208 0.000907 0.000194 0.001183 -0.000708 -0.000114 5C 1f-3 0.000873 -0.001404 -0.000754 -0.001607 0.001152 0.001432 6C 1s 0.000092 0.002975 0.000312 -0.000709 -0.000900 -0.001681 6C 2s 0.000197 0.006601 0.000709 -0.001680 -0.002018 -0.003727 6C 3s -0.000475 -0.012047 -0.001412 0.006959 0.006616 0.008396 6C 4s 0.000041 -0.008264 -0.000114 -0.026668 -0.006105 -0.003850 6C 5s -0.005095 -0.026775 -0.007771 0.007736 -0.033961 0.014166 6C 1pz 0.095049 -0.090604 0.013596 0.067125 -0.058106 -0.085824 6C 1px 0.017875 -0.053352 -0.006334 0.046187 -0.037916 -0.009654 6C 1py 0.060074 0.123412 0.057362 -0.113137 0.097451 -0.097727 6C 2pz 0.078928 -0.063979 0.016683 0.046082 -0.033875 -0.075467 6C 2px 0.014010 -0.038514 -0.002043 0.033507 -0.022465 -0.009529 6C 2py 0.051370 0.082057 0.044148 -0.077964 0.056703 -0.077980 6C 3pz 0.022217 -0.011234 0.003552 0.013778 -0.049140 -0.015715 6C 3px 0.005308 -0.012033 0.003071 0.007127 -0.029850 -0.001111 6C 3py 0.017561 0.013095 0.010280 -0.021669 0.080137 -0.015938 6C 1dz2 -0.001565 0.000013 -0.000574 0.000271 -0.000149 0.001474 6C 1dxz -0.000754 0.000847 -0.000073 -0.000468 0.000355 0.000887 6C 1dyz 0.000799 -0.001321 -0.000071 0.001073 -0.000570 -0.000422 6C 1dx2y2 -0.000867 -0.001088 -0.000611 0.000781 -0.000552 0.000039 6C 1dxy -0.000037 -0.001043 -0.000260 0.000871 -0.000514 -0.000199 6C 2dz2 -0.005143 0.000276 -0.002238 0.002095 -0.001048 0.002638 6C 2dxz -0.002069 0.003418 0.000012 -0.002314 0.001687 0.000003 6C 2dyz 0.002572 -0.005606 -0.000585 0.006379 -0.004880 0.002544 6C 2dx2y2 -0.002103 -0.004717 -0.002918 0.003509 -0.003193 -0.000180 6C 2dxy 0.000296 -0.004266 -0.001066 0.004150 -0.003215 0.000176 6C 1f0 -0.000880 0.001677 0.000117 -0.001333 0.001110 0.000451 6C 1f+1 -0.001392 0.001540 -0.000133 -0.001446 0.001023 0.000916 6C 1f-1 -0.002461 0.000375 -0.000987 0.000024 0.000036 0.002694 6C 1f+2 0.001968 0.000534 0.000902 -0.000561 0.000531 -0.002075 6C 1f-2 -0.000856 -0.000447 -0.000561 0.000807 -0.000516 0.001353 6C 1f+3 -0.000217 0.000896 0.000126 -0.001195 0.000707 -0.000113 6C 1f-3 -0.000858 -0.001403 -0.000674 0.001655 -0.001139 0.001434 7C 1s 0.000032 -0.000913 0.002066 -0.000774 0.000805 0.002194 7C 2s 0.000052 -0.002027 0.004615 -0.001838 0.001776 0.004863 7C 3s 0.000523 0.003463 -0.007705 0.007253 -0.006083 -0.010275 7C 4s -0.002776 0.004184 -0.008472 -0.024919 0.004755 0.001939 7C 5s 0.000520 0.009846 -0.027708 0.000013 0.036388 -0.008351 7C 1pz 0.055912 0.054727 -0.122208 0.094068 0.119220 0.015680 7C 1px 0.036283 0.018755 -0.021335 0.017029 0.024611 0.023627 7C 1py -0.091340 -0.005053 -0.101320 0.069524 0.078772 -0.102480 7C 2pz 0.046076 0.042643 -0.083371 0.068490 0.073256 0.018964 7C 2px 0.029958 0.013669 -0.013923 0.011158 0.014811 0.021219 7C 2py -0.076536 -0.010159 -0.073255 0.051127 0.047993 -0.082556 7C 3pz 0.014072 0.011516 -0.019872 0.000043 0.084738 0.008177 7C 3px 0.007829 -0.000786 -0.001107 0.001812 0.015759 0.003746 7C 3py -0.024918 -0.004408 -0.017060 0.002337 0.057508 -0.014870 7C 1dz2 -0.001429 -0.000742 0.000728 -0.000548 -0.000547 -0.001186 7C 1dxz -0.000610 -0.000372 0.000605 -0.000352 -0.000422 -0.000750 7C 1dyz 0.000769 -0.000193 0.001577 -0.001193 -0.000891 0.000338 7C 1dx2y2 -0.001063 -0.000091 -0.000827 0.000321 0.000334 0.000086 7C 1dxy -0.000179 -0.000120 0.000248 -0.000256 -0.000241 0.000133 7C 2dz2 -0.004690 -0.003485 0.003488 -0.003680 -0.003947 0.000696 7C 2dxz -0.001941 -0.001079 0.002073 -0.000551 -0.001580 -0.000221 7C 2dyz 0.002167 -0.000043 0.004923 -0.004989 -0.005476 0.003152 7C 2dx2y2 -0.003348 -0.000808 -0.002955 0.001048 0.001261 0.000111 7C 2dxy -0.001008 -0.000069 0.000452 -0.001099 -0.001374 0.000258 7C 1f0 0.000920 0.000200 0.000878 -0.000774 -0.000685 0.001182 7C 1f+1 -0.000587 -0.000585 0.001548 -0.001536 -0.001557 0.000380 7C 1f-1 0.000294 0.000510 -0.001176 0.000682 0.000977 0.000052 7C 1f+2 0.001732 0.000860 -0.000510 0.000906 0.000845 0.001002 7C 1f-2 0.001864 0.000753 -0.000217 0.000194 0.000414 0.001444 7C 1f+3 -0.002027 -0.000519 -0.000694 0.000464 0.000332 -0.001798 7C 1f-3 0.001383 0.000066 0.001722 -0.001450 -0.001417 0.001806 8C 1s -0.000171 -0.009698 -0.002499 0.007742 -0.005551 0.002125 8C 2s -0.000365 -0.020920 -0.005385 0.016685 -0.011914 0.004557 8C 3s 0.000304 0.035446 0.009169 -0.029053 0.020431 -0.008045 8C 4s 0.002288 0.034013 0.008575 -0.023321 0.018037 -0.005152 8C 5s 0.003124 0.043090 0.010628 -0.037106 0.109436 -0.014316 8C 1pz 0.059669 0.046867 0.037517 -0.046069 0.038032 -0.100679 8C 1px 0.010979 0.037822 0.015065 -0.031765 0.027619 -0.027391 8C 1py 0.039174 -0.106253 -0.010725 0.084714 -0.070594 -0.030431 8C 2pz 0.048462 0.037205 0.030245 -0.037903 0.029843 -0.080734 8C 2px 0.008949 0.031858 0.012773 -0.028155 0.024283 -0.022808 8C 2py 0.032896 -0.087291 -0.009153 0.072712 -0.059590 -0.022429 8C 3pz 0.013833 0.015739 0.012864 -0.017013 0.004427 -0.031481 8C 3px 0.001777 0.009243 0.002660 -0.006186 -0.001729 -0.008867 8C 3py 0.011020 -0.028017 -0.001992 0.023399 -0.000318 -0.011428 8C 1dz2 -0.002397 0.001576 -0.000530 -0.001057 0.000834 0.002603 8C 1dxz 0.000242 -0.001950 -0.000363 0.001619 -0.001329 -0.000159 8C 1dyz -0.000748 0.005569 0.001098 -0.004563 0.003701 0.000081 8C 1dx2y2 0.000700 0.003685 0.001274 -0.003162 0.002605 -0.002481 8C 1dxy 0.000992 0.003236 0.001280 -0.002788 0.002296 -0.002427 8C 2dz2 -0.004388 0.002781 -0.001230 -0.002130 0.002059 0.004022 8C 2dxz -0.000938 -0.001589 -0.000693 0.001581 -0.001065 0.001518 8C 2dyz 0.000955 0.007575 0.002552 -0.007997 0.007455 -0.003182 8C 2dx2y2 -0.001626 0.004073 0.000548 -0.003931 0.002916 -0.000373 8C 2dxy 0.000418 0.003704 0.001207 -0.003541 0.002958 -0.002337 8C 1f0 -0.000061 -0.000994 -0.000289 0.000921 -0.000808 0.000445 8C 1f+1 0.000416 -0.000095 0.000133 0.000007 0.000019 -0.000421 8C 1f-1 -0.001122 -0.000370 -0.000495 0.000462 -0.000412 0.001188 8C 1f+2 0.000052 0.000121 0.000024 0.000058 -0.000107 0.000024 8C 1f-2 -0.000436 -0.000056 -0.000216 0.000205 -0.000255 0.000614 8C 1f+3 -0.000485 0.000827 0.000035 -0.000717 0.000696 0.000233 8C 1f-3 0.000596 -0.000644 0.000038 0.000578 -0.000535 -0.000425 9C 1s 0.000264 0.002789 -0.009084 0.006576 0.006770 -0.001815 9C 2s 0.000566 0.006008 -0.019554 0.014152 0.014508 -0.003874 9C 3s -0.001159 -0.009850 0.031962 -0.023916 -0.024094 0.006914 9C 4s -0.000213 -0.011634 0.037780 -0.023535 -0.025956 0.002594 9C 5s 0.002679 -0.012574 0.043349 -0.005848 -0.112339 0.010610 9C 1pz 0.033455 -0.016379 0.102385 -0.072285 -0.083906 0.067375 9C 1px 0.022320 0.000545 0.027054 -0.018982 -0.020550 0.030910 9C 1py -0.059391 -0.038375 0.055243 -0.043858 -0.057174 -0.048490 9C 2pz 0.026878 -0.012526 0.081829 -0.060508 -0.069040 0.056260 9C 2px 0.017953 -0.000022 0.022862 -0.016904 -0.019059 0.024802 9C 2py -0.048966 -0.030660 0.043606 -0.036572 -0.046279 -0.036708 9C 3pz 0.007770 -0.003707 0.026918 -0.025596 -0.005168 0.021970 9C 3px 0.005212 0.002913 0.002268 -0.003330 0.003681 0.011442 9C 3py -0.014546 -0.010767 0.014158 -0.016263 -0.004829 -0.015965 9C 1dz2 -0.001000 0.000807 -0.004042 0.002902 0.003352 -0.001871 9C 1dxz 0.001062 0.000843 -0.001486 0.001131 0.001449 0.000912 9C 1dyz 0.000724 0.001959 -0.005987 0.004437 0.005193 -0.001223 9C 1dx2y2 -0.000293 -0.000533 0.001615 -0.001163 -0.001454 0.000595 9C 1dxy -0.002181 -0.000348 -0.001579 0.001034 0.000991 -0.002848 9C 2dz2 -0.003360 -0.000334 -0.003956 0.003170 0.003876 -0.004574 9C 2dxz -0.000729 -0.000177 -0.000577 0.000861 0.000164 -0.001046 9C 2dyz 0.002517 0.002770 -0.006707 0.005957 0.008253 -0.001115 9C 2dx2y2 -0.002084 -0.000984 0.001074 -0.001190 -0.001055 -0.000512 9C 2dxy -0.001662 -0.000206 -0.002301 0.001902 0.002342 -0.002611 9C 1f0 0.000922 0.000320 -0.000051 0.000073 0.000085 0.000701 9C 1f+1 0.000631 0.000086 0.000458 -0.000348 -0.000423 0.000735 9C 1f-1 0.000080 -0.000192 0.000878 -0.000747 -0.001055 0.000519 9C 1f+2 0.000913 0.000282 0.000111 0.000042 0.000230 0.000581 9C 1f-2 0.000085 0.000114 -0.000287 0.000120 0.000167 0.000031 9C 1f+3 -0.000232 -0.000315 0.000820 -0.000621 -0.000762 0.000013 9C 1f-3 -0.000341 -0.000201 0.000326 -0.000256 -0.000395 -0.000104 10H 1s -0.006059 0.010256 -0.029383 -0.018874 -0.023965 -0.001584 10H 2s -0.008736 0.013974 -0.038152 -0.025034 -0.032066 -0.001161 10H 3s -0.003147 0.000173 0.000096 -0.001012 0.005380 0.000492 10H 1pz -0.001916 0.000325 0.001562 0.000915 0.001012 0.002429 10H 1px 0.000107 -0.001519 0.005222 0.003368 0.004384 0.001212 10H 1py 0.001904 -0.001098 0.001462 0.001053 0.001403 -0.001740 11H 1s 0.031254 -0.001102 -0.037957 -0.022827 -0.026249 -0.044283 11H 2s 0.041530 -0.002031 -0.048650 -0.029667 -0.032572 -0.060328 11H 3s 0.012376 0.000319 -0.012865 -0.009008 -0.007278 -0.012705 11H 1pz 0.002366 -0.000881 0.000168 0.000204 0.000542 -0.002558 11H 1px 0.002664 -0.000269 -0.002632 -0.001558 -0.001522 -0.003748 11H 1py 0.000029 -0.001192 0.004386 0.002854 0.003462 0.001246 12H 1s -0.025833 0.017572 -0.028431 -0.019782 -0.025965 0.022088 12H 2s -0.034479 0.022963 -0.036811 -0.026272 -0.033667 0.030395 12H 3s -0.011030 0.005201 -0.006511 -0.005762 -0.002897 0.010534 12H 1pz -0.000589 -0.001184 0.004956 0.003178 0.003936 0.001928 12H 1px -0.002663 0.001219 -0.000851 -0.000699 -0.000860 0.002722 12H 1py -0.001904 0.001190 -0.001736 -0.001277 -0.001641 0.001768 13H 1s 0.009505 -0.029431 -0.012489 -0.024721 0.020136 0.020759 13H 2s 0.012895 -0.038467 -0.017063 -0.033403 0.027437 0.028709 13H 3s 0.003937 -0.000507 -0.000482 0.001303 -0.005867 0.005996 13H 1pz -0.001031 -0.001431 -0.000014 -0.001177 0.000982 -0.001184 13H 1px -0.001386 0.004965 0.002118 0.004210 -0.003595 -0.003249 13H 1py -0.002092 -0.002457 0.000158 -0.001771 0.001476 -0.002458 14H 1s 0.022971 -0.028400 -0.018323 -0.024267 0.021082 0.041768 14H 2s 0.030303 -0.036521 -0.024024 -0.031495 0.027056 0.056721 14H 3s 0.009955 -0.003679 -0.004917 -0.003805 -0.000551 0.013453 14H 1pz -0.000116 -0.000449 -0.000104 -0.000327 0.000368 0.000073 14H 1px 0.002886 -0.002442 -0.001966 -0.002149 0.001800 0.005026 14H 1py -0.001134 -0.004643 -0.000942 -0.003668 0.003071 -0.000482 15H 1s -0.032810 -0.037812 0.002741 -0.027301 0.021623 -0.040964 15H 2s -0.043739 -0.048644 0.004096 -0.034713 0.026401 -0.056304 15H 3s -0.013077 -0.012075 -0.000026 -0.009576 0.005652 -0.016961 15H 1pz 0.001123 0.005204 0.001022 0.004007 -0.003134 0.000525 15H 1px -0.001601 0.000211 0.000747 0.000324 -0.000445 -0.002516 15H 1py 0.003124 0.000575 -0.001117 0.000073 0.000159 0.004636 16H 1s -0.000051 -0.007476 -0.006076 -0.001669 -0.001337 0.001326 16H 2s 0.000378 -0.009047 -0.007565 0.001945 0.000888 0.003907 16H 3s 0.000079 -0.004012 0.004535 -0.003591 0.001118 0.000763 16H 1pz -0.000091 -0.000713 -0.000322 -0.000048 -0.000074 0.000569 16H 1px -0.000131 0.000070 -0.000376 -0.000699 -0.000277 0.000080 16H 1py 0.000177 0.000259 -0.001187 -0.000218 -0.000309 -0.000278 17H 1s -0.000125 -0.000038 0.009339 -0.001488 0.001680 0.002007 17H 2s 0.000715 0.000453 0.012047 0.002481 0.000934 0.003989 17H 3s 0.000280 -0.005800 0.000155 -0.003104 -0.001339 0.000817 17H 1pz 0.000173 0.000215 -0.000455 0.000425 -0.000136 -0.000521 17H 1px -0.000119 0.000422 -0.000360 -0.000612 0.000030 -0.000271 17H 1py 0.000115 0.001040 0.000604 -0.000253 0.000281 -0.000174 18H 1s -0.000130 0.000280 -0.009412 -0.000971 0.001700 -0.002077 18H 2s 0.000795 -0.000101 -0.011907 0.003141 0.001052 -0.004038 18H 3s 0.000264 0.005771 -0.000216 -0.003137 -0.001276 -0.000813 18H 1pz -0.000169 0.000216 -0.000486 -0.000401 0.000136 -0.000520 18H 1px 0.000131 0.000427 -0.000317 0.000628 -0.000018 -0.000268 18H 1py -0.000118 0.001032 0.000619 0.000209 -0.000287 -0.000176 19H 1s -0.000058 0.007310 0.006143 -0.002051 -0.001361 -0.001243 19H 2s 0.000287 0.008851 0.007908 0.001455 0.000906 -0.003850 19H 3s 0.000082 0.004112 -0.004645 -0.003363 0.001163 -0.000760 19H 1pz 0.000100 -0.000719 -0.000320 0.000071 0.000071 0.000569 19H 1px 0.000123 0.000077 -0.000326 0.000717 0.000283 0.000074 19H 1py -0.000174 0.000264 -0.001175 0.000288 0.000306 -0.000274 20H 1s -0.032770 0.037463 -0.004371 -0.027197 0.021978 0.040544 20H 2s -0.043673 0.048188 -0.006202 -0.034545 0.026888 0.055743 20H 3s -0.013104 0.011913 -0.000575 -0.009548 0.005751 0.016872 20H 1pz -0.001140 0.005178 0.000805 -0.004085 0.003146 0.000495 20H 1px 0.001630 0.000184 0.000751 -0.000347 0.000408 -0.002557 20H 1py -0.003091 0.000546 -0.001139 0.000004 -0.000125 0.004588 21H 1s 0.022900 0.028395 0.017302 -0.025466 0.020753 -0.042029 21H 2s 0.030215 0.036547 0.022710 -0.033080 0.026610 -0.057068 21H 3s 0.009990 0.003779 0.004837 -0.004187 -0.000579 -0.013505 21H 1pz 0.000082 -0.000476 -0.000110 0.000359 -0.000385 0.000138 21H 1px -0.002871 -0.002426 -0.001873 0.002259 -0.001742 0.005032 21H 1py 0.001141 -0.004617 -0.000747 0.003738 -0.003078 -0.000442 22H 1s 0.009063 0.029308 0.011134 -0.025546 0.019973 -0.020419 22H 2s 0.012285 0.038301 0.015218 -0.034523 0.027208 -0.028205 22H 3s 0.003803 0.000513 0.000512 0.001292 -0.005953 -0.005767 22H 1pz 0.001071 -0.001395 0.000079 0.001159 -0.000975 -0.001236 22H 1px 0.001331 0.004962 0.001900 -0.004363 0.003582 -0.003228 22H 1py 0.002080 -0.002415 0.000264 0.001749 -0.001483 -0.002423 23H 1s -0.026007 -0.017770 0.027001 -0.021326 -0.026430 -0.021996 23H 2s -0.034691 -0.023204 0.034905 -0.028258 -0.034244 -0.030268 23H 3s -0.011099 -0.005291 0.006282 -0.006250 -0.003291 -0.010598 23H 1pz 0.000553 -0.001191 0.004750 -0.003440 -0.003944 0.001951 23H 1px 0.002609 0.001199 -0.000737 0.000699 0.000837 0.002673 23H 1py 0.001964 0.001218 -0.001638 0.001372 0.001670 0.001820 24H 1s 0.030770 0.001168 0.036537 -0.024795 -0.025978 0.044210 24H 2s 0.040931 0.002159 0.046785 -0.032175 -0.032180 0.060201 24H 3s 0.012234 -0.000235 0.012273 -0.009620 -0.007060 0.012737 24H 1pz -0.002309 -0.000885 0.000169 -0.000227 -0.000577 -0.002484 24H 1px -0.002671 -0.000278 -0.002590 0.001729 0.001532 -0.003801 24H 1py -0.000094 -0.001206 0.004173 -0.003072 -0.003470 0.001214 25H 1s -0.005661 -0.010185 0.028228 -0.020450 -0.024113 0.002416 25H 2s -0.008173 -0.013880 0.036660 -0.027109 -0.032309 0.002332 25H 3s -0.002926 -0.000124 -0.000101 -0.000994 0.005423 -0.000300 25H 1pz 0.001862 0.000332 0.001470 -0.000972 -0.000966 0.002377 25H 1px -0.000057 -0.001500 0.005006 -0.003643 -0.004397 0.001336 25H 1py -0.001914 -0.001129 0.001442 -0.001177 -0.001489 -0.001721 26O 1s -0.000186 0.002560 -0.010083 -0.006885 -0.008851 0.000251 26O 2s -0.000433 0.006144 -0.024192 -0.016500 -0.021277 0.000628 26O 3s 0.000434 -0.009334 0.036594 0.024563 0.032864 -0.001612 26O 4s 0.002072 -0.014515 0.057082 0.040088 0.045841 0.001323 26O 5s -0.000046 -0.009779 0.052781 0.039483 0.067615 -0.004447 26O 1pz -0.048805 0.038371 -0.080294 -0.055753 -0.069776 0.025079 26O 1px -0.029441 -0.018687 0.110572 0.071731 0.095790 0.041330 26O 1py 0.083555 -0.021097 -0.021980 -0.010342 -0.004433 -0.064824 26O 2pz -0.041048 0.032588 -0.066805 -0.046937 -0.058541 0.020833 26O 2px -0.025124 -0.013974 0.086785 0.055894 0.075721 0.033495 26O 2py 0.070013 -0.017924 -0.020691 -0.010437 -0.005501 -0.055395 26O 3pz -0.020919 0.014553 -0.038175 -0.027674 -0.024469 0.008736 26O 3px -0.013050 -0.012965 0.050483 0.021432 0.041242 0.016152 26O 3py 0.037288 -0.007278 -0.009282 -0.009542 0.001604 -0.033568 26O 1dz2 -0.000253 -0.000166 0.001041 0.000745 0.001027 0.000230 26O 1dxz 0.001035 -0.001003 0.002096 0.001416 0.001708 -0.000509 26O 1dyz 0.000504 -0.000408 0.000785 0.000523 0.000660 -0.000018 26O 1dx2y2 0.001254 0.000122 -0.002489 -0.001646 -0.002054 -0.001720 26O 1dxy -0.001689 0.000586 0.000100 -0.000131 -0.000404 0.001270 26O 2dz2 -0.001029 -0.000094 0.001671 0.000740 0.002277 0.000492 26O 2dxz 0.002882 -0.003430 0.008751 0.005842 0.007342 -0.001052 26O 2dyz 0.001935 -0.001260 0.002222 0.001702 0.002378 -0.001598 26O 2dx2y2 0.003447 0.000591 -0.006732 -0.003723 -0.006002 -0.004066 26O 2dxy -0.004964 0.001304 0.002232 0.001588 0.000330 0.004325 26O 1f0 0.000197 -0.000239 0.000792 0.000547 0.000695 -0.000076 26O 1f+1 -0.000159 0.000267 -0.000953 -0.000596 -0.000961 -0.000032 26O 1f-1 -0.000467 0.000194 -0.000221 -0.000124 -0.000307 0.000264 26O 1f+2 -0.000750 0.000395 -0.000620 -0.000452 -0.000578 0.000493 26O 1f-2 -0.000348 0.000356 -0.000771 -0.000562 -0.000740 0.000083 26O 1f+3 0.001249 -0.000016 -0.001297 -0.000770 -0.001040 -0.001291 26O 1f-3 -0.000435 0.000300 -0.000490 -0.000274 -0.000617 0.000309 27O 1s -0.000130 -0.009564 -0.003166 -0.008934 0.007435 -0.000035 27O 2s -0.000325 -0.022916 -0.007584 -0.021405 0.017869 -0.000129 27O 3s 0.000745 0.034277 0.011308 0.031878 -0.027602 0.001112 27O 4s -0.000613 0.055257 0.018564 0.051017 -0.038128 -0.003997 27O 5s 0.001214 0.051195 0.014719 0.062126 -0.060085 0.003316 27O 1pz -0.085026 -0.076270 0.007915 -0.056066 0.044743 -0.072254 27O 1px -0.016100 0.092075 0.035254 0.084454 -0.075490 -0.031084 27O 1py -0.053451 0.064055 0.039728 0.056101 -0.047064 -0.063093 27O 2pz -0.071270 -0.062775 0.007663 -0.046383 0.036916 -0.060834 27O 2px -0.012864 0.071109 0.027627 0.064278 -0.059227 -0.024095 27O 2py -0.045282 0.053625 0.033971 0.048100 -0.039970 -0.054160 27O 3pz -0.038481 -0.035069 0.000761 -0.021119 0.015528 -0.033461 27O 3px -0.007695 0.040909 0.016860 0.026238 -0.034928 -0.012247 27O 3py -0.023146 0.032447 0.014740 0.024801 -0.013950 -0.030690 27O 1dz2 -0.000617 0.000570 0.000424 0.000710 -0.000662 -0.000420 27O 1dxz 0.001877 0.002145 -0.000164 0.001591 -0.001243 0.001687 27O 1dyz -0.000237 0.000075 0.000152 0.000107 -0.000048 -0.000385 27O 1dx2y2 0.000436 -0.001991 -0.000835 -0.001971 0.001731 0.001143 27O 1dxy 0.001200 -0.001591 -0.001006 -0.001266 0.001015 0.001618 27O 2dz2 -0.002241 0.000447 0.001119 0.000403 -0.001269 -0.002153 27O 2dxz 0.005472 0.007497 0.000041 0.005573 -0.004829 0.004997 27O 2dyz -0.000635 0.001006 0.000475 0.000451 -0.000315 -0.001627 27O 2dx2y2 0.000800 -0.003871 -0.001800 -0.003132 0.004356 0.001614 27O 2dxy 0.003889 -0.007362 -0.003821 -0.006570 0.005087 0.005353 27O 1f0 0.000825 0.000953 0.000015 0.000711 -0.000664 0.000696 27O 1f+1 0.000110 -0.000500 -0.000251 -0.000417 0.000506 0.000200 27O 1f-1 0.000503 -0.000164 -0.000263 -0.000214 0.000166 0.000486 27O 1f+2 -0.000945 -0.000912 0.000049 -0.000710 0.000605 -0.000910 27O 1f-2 0.000649 0.000298 -0.000125 0.000216 -0.000220 0.000602 27O 1f+3 0.000613 -0.001304 -0.000587 -0.001130 0.001190 0.000940 27O 1f-3 0.000625 -0.000767 -0.000462 -0.000720 0.000557 0.000874 28O 1s 0.000137 0.002572 -0.010104 -0.007069 -0.008800 0.000262 28O 2s 0.000343 0.006156 -0.024225 -0.016931 -0.021153 0.000658 28O 3s -0.000708 -0.009083 0.036407 0.025033 0.032608 -0.001775 28O 4s -0.000020 -0.015450 0.058183 0.041823 0.045794 0.002110 28O 5s -0.001184 -0.014842 0.052164 0.043788 0.068855 -0.006334 28O 1pz -0.051022 0.019237 -0.006712 -0.005330 -0.005030 0.037325 28O 1px -0.030276 0.042263 -0.119978 -0.081803 -0.108180 0.003750 28O 1py 0.082309 -0.010276 -0.064489 -0.038326 -0.041889 -0.072127 28O 2pz -0.042622 0.017391 -0.008755 -0.008082 -0.007195 0.029932 28O 2px -0.025299 0.034070 -0.095123 -0.064362 -0.086532 0.004285 28O 2py 0.068883 -0.009280 -0.054165 -0.032649 -0.035388 -0.060759 28O 3pz -0.023421 0.007796 -0.002997 -0.006630 0.004092 0.014079 28O 3px -0.013548 0.017102 -0.055626 -0.027118 -0.044714 0.003738 28O 3py 0.036562 -0.000700 -0.028398 -0.017311 -0.013262 -0.035909 28O 1dz2 0.000974 -0.000873 0.001729 0.001169 0.001465 -0.000630 28O 1dxz -0.000657 0.000015 0.000940 0.000752 0.001047 0.000625 28O 1dyz -0.001018 0.000156 0.000946 0.000537 0.000592 0.001225 28O 1dx2y2 -0.000697 0.000870 -0.002257 -0.001629 -0.002075 -0.000139 28O 1dxy 0.001664 -0.000252 -0.001486 -0.000847 -0.000886 -0.001597 28O 2dz2 0.002593 -0.002705 0.006429 0.004348 0.005622 -0.001633 28O 2dxz -0.002364 0.000983 0.000341 -0.000531 0.001299 0.001517 28O 2dyz -0.002734 0.000157 0.003351 0.002152 0.002602 0.002379 28O 2dx2y2 -0.002404 0.002550 -0.006568 -0.003820 -0.006444 0.000785 28O 2dxy 0.004953 -0.000170 -0.006081 -0.003696 -0.004065 -0.005285 28O 1f0 -0.000787 0.000439 -0.000834 -0.000544 -0.000885 0.000462 28O 1f+1 0.000818 -0.000413 0.000651 0.000503 0.000592 -0.000549 28O 1f-1 0.000143 0.000103 -0.000448 -0.000294 -0.000423 -0.000317 28O 1f+2 -0.000314 -0.000166 0.001110 0.000642 0.001067 0.000423 28O 1f-2 -0.001034 0.000139 0.000700 0.000456 0.000477 0.000957 28O 1f+3 0.000097 -0.000350 0.000993 0.000634 0.000946 0.000101 28O 1f-3 -0.000768 0.000099 0.000540 0.000317 0.000333 0.000771 29O 1s -0.000003 -0.001696 0.000834 0.000261 0.000150 0.000754 29O 2s -0.000003 -0.004085 0.002016 0.000750 0.000373 0.001820 29O 3s -0.000054 0.006417 -0.003285 -0.002837 -0.000741 -0.002836 29O 4s 0.000396 0.008792 -0.003698 0.007072 0.000031 -0.003581 29O 5s -0.001629 0.009030 -0.006180 -0.024811 -0.003329 -0.007527 29O 1pz 0.000021 0.013122 0.018353 0.003094 0.004589 -0.001005 29O 1px -0.000459 -0.002159 0.009066 -0.007126 0.001823 0.003526 29O 1py 0.000512 0.016815 -0.009839 0.002123 -0.001262 -0.007886 29O 2pz -0.000032 0.010976 0.014895 0.003160 0.003787 -0.000761 29O 2px -0.000427 -0.002570 0.007722 -0.007508 0.001323 0.002724 29O 2py 0.000522 0.013418 -0.007897 0.002377 -0.000970 -0.006526 29O 3pz -0.000107 0.004478 0.006555 -0.001817 0.004075 0.000444 29O 3px -0.000229 0.001002 0.002818 0.006234 0.002343 0.001608 29O 3py 0.000522 0.011539 -0.005649 0.003609 -0.000407 -0.002068 29O 1dz2 0.000017 -0.000157 -0.000340 -0.000043 -0.000047 -0.000012 29O 1dxz 0.000011 0.000110 0.000373 -0.000051 0.000045 0.000046 29O 1dyz -0.000006 -0.000251 -0.000420 -0.000052 -0.000072 0.000016 29O 1dx2y2 0.000011 0.000217 0.000049 0.000108 0.000011 -0.000064 29O 1dxy -0.000001 -0.000031 -0.000229 0.000117 -0.000037 -0.000055 29O 2dz2 0.000158 0.000037 -0.000997 0.000065 -0.000109 -0.000352 29O 2dxz 0.000028 0.000421 0.000793 0.000348 0.000208 -0.000073 29O 2dyz -0.000063 -0.000777 -0.001101 -0.000098 -0.000063 -0.000046 29O 2dx2y2 0.000156 0.000792 -0.000121 -0.000721 0.000026 -0.000258 29O 2dxy 0.000066 -0.000140 -0.000575 0.000289 -0.000032 -0.000093 29O 1f0 0.000034 0.000108 0.000098 0.000104 0.000052 0.000010 29O 1f+1 -0.000031 0.000073 0.000162 -0.000052 0.000033 0.000003 29O 1f-1 -0.000003 0.000124 0.000049 0.000079 0.000038 0.000007 29O 1f+2 -0.000010 -0.000044 -0.000042 -0.000071 -0.000015 -0.000003 29O 1f-2 0.000027 -0.000048 -0.000193 0.000033 -0.000066 -0.000012 29O 1f+3 0.000022 -0.000045 0.000101 -0.000093 0.000021 0.000019 29O 1f-3 0.000007 -0.000039 0.000106 -0.000071 0.000034 0.000021 30O 1s -0.000472 -0.009361 -0.003118 -0.008291 0.007271 -0.000061 30O 2s -0.001125 -0.022441 -0.007478 -0.019878 0.017485 -0.000173 30O 3s 0.001658 0.033701 0.011272 0.029735 -0.027112 0.000956 30O 4s 0.002477 0.054240 0.017757 0.047512 -0.037151 -0.002988 30O 5s 0.003065 0.043105 0.017960 0.051790 -0.058182 0.003385 30O 1pz -0.082545 -0.005263 0.030194 0.003549 -0.009836 -0.084553 30O 1px -0.020112 -0.131376 -0.034341 -0.109835 0.095772 0.002503 30O 1py -0.056851 0.024977 0.027442 0.024850 -0.016946 -0.057944 30O 2pz -0.068954 -0.007154 0.025053 0.000358 -0.006380 -0.069631 30O 2px -0.016598 -0.105336 -0.027129 -0.088118 0.077257 0.001130 30O 2py -0.047603 0.023233 0.024268 0.023667 -0.015993 -0.049939 30O 3pz -0.037052 0.001212 0.009956 -0.003150 -0.008988 -0.038920 30O 3px -0.009056 -0.062979 -0.015451 -0.040559 0.039430 -0.000741 30O 3py -0.025598 0.009395 0.010653 0.014159 -0.000963 -0.028472 30O 1dz2 0.001415 0.001424 -0.000197 0.001070 -0.000837 0.001559 30O 1dxz -0.001413 0.000964 0.000947 0.001096 -0.001059 -0.001620 30O 1dyz -0.000113 -0.000718 -0.000105 -0.000458 0.000270 -0.000187 30O 1dx2y2 0.000114 -0.002808 -0.000948 -0.002376 0.001959 0.000946 30O 1dxy -0.001341 -0.000540 0.000346 -0.000489 0.000537 -0.001172 30O 2dz2 0.003670 0.004478 -0.000207 0.003148 -0.002781 0.003596 30O 2dxz -0.004546 0.001519 0.002338 0.001428 -0.002618 -0.004900 30O 2dyz -0.000351 -0.003033 -0.000822 -0.002818 0.001758 -0.000471 30O 2dx2y2 -0.000037 -0.009542 -0.002939 -0.007734 0.007053 0.001781 30O 2dxy -0.003775 0.000834 0.001783 0.001107 0.000197 -0.004421 30O 1f0 -0.000208 -0.000413 -0.000095 -0.000317 0.000354 -0.000199 30O 1f+1 0.001028 0.000667 -0.000153 0.000475 -0.000357 0.001038 30O 1f-1 0.001148 0.000421 -0.000276 0.000291 -0.000201 0.001111 30O 1f+2 -0.000435 0.001195 0.000549 0.001054 -0.001022 -0.000724 30O 1f-2 -0.000036 0.000174 0.000046 0.000073 -0.000260 -0.000134 30O 1f+3 -0.000464 0.000957 0.000414 0.000858 -0.000715 -0.000705 30O 1f-3 0.000337 0.001010 0.000171 0.000825 -0.000848 0.000196 31O 1s -0.000527 0.009320 0.002690 -0.008491 0.007275 0.000002 31O 2s -0.001258 0.022344 0.006452 -0.020356 0.017495 0.000031 31O 3s 0.001859 -0.033553 -0.009742 0.030458 -0.027134 -0.000734 31O 4s 0.002779 -0.054008 -0.015280 0.048643 -0.037145 0.003291 31O 5s 0.003465 -0.043044 -0.015302 0.052893 -0.058199 -0.003059 31O 1pz 0.082184 -0.004838 0.030592 -0.005306 0.009045 -0.084334 31O 1px 0.020739 -0.130617 -0.028496 0.112164 -0.095812 0.003160 31O 1py 0.056446 0.024972 0.026420 -0.026573 0.016470 -0.057805 31O 2pz 0.068671 -0.006797 0.025529 -0.001807 0.005726 -0.069450 31O 2px 0.017084 -0.104711 -0.022446 0.089964 -0.077298 0.001677 31O 2py 0.047233 0.023228 0.023253 -0.025193 0.015581 -0.049810 31O 3pz 0.036884 0.001361 0.010411 0.002550 0.008619 -0.038837 31O 3px 0.009351 -0.062592 -0.013288 0.041657 -0.039478 -0.000441 31O 3py 0.025459 0.009367 0.010005 -0.014757 0.000703 -0.028387 31O 1dz2 0.001415 -0.001410 0.000263 0.001061 -0.000851 -0.001548 31O 1dxz -0.001401 -0.000966 -0.000900 0.001154 -0.001044 0.001622 31O 1dyz -0.000115 0.000712 0.000079 -0.000467 0.000273 0.000184 31O 1dx2y2 0.000099 0.002793 0.000824 -0.002439 0.001952 -0.000955 31O 1dxy -0.001337 0.000532 -0.000378 -0.000469 0.000546 0.001163 31O 2dz2 0.003680 -0.004439 0.000396 0.003146 -0.002816 -0.003565 31O 2dxz -0.004514 -0.001532 -0.002302 0.001574 -0.002577 0.004901 31O 2dyz -0.000363 0.003020 0.000669 -0.002873 0.001764 0.000453 31O 2dx2y2 -0.000091 0.009487 0.002535 -0.007928 0.007039 -0.001817 31O 2dxy -0.003746 -0.000851 -0.001738 0.001219 0.000233 0.004395 31O 1f0 0.000210 -0.000411 -0.000078 0.000324 -0.000356 -0.000196 31O 1f+1 -0.001026 0.000659 -0.000185 -0.000467 0.000367 0.001031 31O 1f-1 -0.001145 0.000414 -0.000299 -0.000276 0.000212 0.001106 31O 1f+2 0.000427 0.001189 0.000497 -0.001090 0.001016 -0.000729 31O 1f-2 0.000035 0.000174 0.000044 -0.000077 0.000259 -0.000135 31O 1f+3 0.000456 0.000953 0.000372 -0.000885 0.000709 -0.000706 31O 1f-3 -0.000340 0.001002 0.000127 -0.000837 0.000850 0.000189 32O 1s -0.000006 0.001715 -0.000780 0.000296 0.000153 -0.000754 32O 2s -0.000009 0.004130 -0.001879 0.000834 0.000379 -0.001819 32O 3s -0.000044 -0.006491 0.002973 -0.002977 -0.000753 0.002834 32O 4s 0.000408 -0.008863 0.003912 0.006930 0.000043 0.003579 32O 5s -0.001620 -0.009264 0.004520 -0.025084 -0.003483 0.007521 32O 1pz 0.000008 0.012257 0.018706 -0.004125 -0.004681 -0.000595 32O 1px 0.000481 -0.002610 0.009374 0.006663 -0.001809 0.003646 32O 1py -0.000534 0.017305 -0.009070 -0.001727 0.001141 -0.007869 32O 2pz 0.000067 0.010269 0.015154 -0.003978 -0.003861 -0.000428 32O 2px 0.000452 -0.002934 0.008055 0.007123 -0.001312 0.002818 32O 2py -0.000540 0.013804 -0.007320 -0.002057 0.000866 -0.006511 32O 3pz 0.000227 0.004080 0.006862 0.001480 -0.004096 0.000654 32O 3px 0.000270 0.000779 0.002460 -0.006387 -0.002275 0.001667 32O 3py -0.000547 0.011754 -0.005410 -0.003375 0.000240 -0.002044 32O 1dz2 0.000017 0.000139 0.000322 -0.000060 -0.000045 0.000015 32O 1dxz 0.000011 -0.000105 -0.000388 -0.000030 0.000048 -0.000050 32O 1dyz -0.000008 0.000239 0.000433 -0.000077 -0.000075 -0.000011 32O 1dx2y2 0.000012 -0.000221 -0.000059 0.000112 0.000013 0.000062 32O 1dxy -0.000001 0.000017 0.000224 0.000106 -0.000036 0.000057 32O 2dz2 0.000161 -0.000098 0.000947 0.000018 -0.000095 0.000358 32O 2dxz 0.000023 -0.000411 -0.000811 0.000387 0.000214 0.000059 32O 2dyz -0.000049 0.000725 0.001145 -0.000172 -0.000074 0.000082 32O 2dx2y2 0.000155 -0.000812 0.000030 -0.000726 0.000041 0.000251 32O 2dxy 0.000071 0.000103 0.000572 0.000254 -0.000022 0.000103 32O 1f0 -0.000033 0.000099 0.000093 -0.000105 -0.000053 0.000011 32O 1f+1 0.000033 0.000068 0.000172 0.000045 -0.000033 0.000005 32O 1f-1 0.000002 0.000125 0.000050 -0.000085 -0.000040 0.000008 32O 1f+2 0.000010 -0.000047 -0.000038 0.000078 0.000016 -0.000003 32O 1f-2 -0.000027 -0.000043 -0.000193 -0.000022 0.000065 -0.000014 32O 1f+3 -0.000022 -0.000049 0.000097 0.000087 -0.000019 0.000019 32O 1f-3 -0.000007 -0.000041 0.000111 0.000065 -0.000035 0.000023 33O 1s 0.000096 -0.002572 0.009634 -0.007617 -0.008868 -0.000188 33O 2s 0.000243 -0.006156 0.023099 -0.018246 -0.021316 -0.000482 33O 3s -0.000550 0.009081 -0.034728 0.027011 0.032856 0.001515 33O 4s 0.000176 0.015460 -0.055468 0.044975 0.046167 -0.002547 33O 5s -0.000881 0.014974 -0.049184 0.046604 0.069262 0.005809 33O 1pz 0.050978 0.019638 -0.006214 0.005653 0.005476 0.037263 33O 1px 0.030510 0.042409 -0.114398 0.088209 0.108975 0.002646 33O 1py -0.081414 -0.010401 -0.062490 0.041784 0.041520 -0.072191 33O 2pz 0.042582 0.017738 -0.008103 0.008509 0.007568 0.029836 33O 2px 0.025464 0.034173 -0.090714 0.069435 0.087166 0.003396 33O 2py -0.068136 -0.009377 -0.052471 0.035566 0.035086 -0.060827 33O 3pz 0.023424 0.008049 -0.002629 0.006759 -0.003837 0.014146 33O 3px 0.013666 0.017088 -0.053649 0.030123 0.045076 0.003279 33O 3py -0.036114 -0.000724 -0.027520 0.018796 0.013076 -0.035808 33O 1dz2 0.000977 0.000881 -0.001649 0.001261 0.001483 0.000614 33O 1dxz -0.000656 -0.000022 -0.000889 0.000802 0.001044 -0.000637 33O 1dyz -0.001002 -0.000156 -0.000917 0.000588 0.000585 -0.001223 33O 1dx2y2 -0.000700 -0.000874 0.002149 -0.001751 -0.002090 0.000162 33O 1dxy 0.001648 0.000255 0.001441 -0.000926 -0.000878 0.001601 33O 2dz2 0.002605 0.002724 -0.006127 0.004688 0.005674 0.001572 33O 2dxz -0.002369 -0.001016 -0.000365 -0.000513 0.001277 -0.001531 33O 2dyz -0.002693 -0.000160 -0.003228 0.002339 0.002602 -0.002387 33O 2dx2y2 -0.002404 -0.002553 0.006299 -0.004177 -0.006499 -0.000711 33O 2dxy 0.004894 0.000176 0.005868 -0.004022 -0.004047 0.005308 33O 1f0 0.000786 0.000442 -0.000790 0.000586 0.000892 0.000452 33O 1f+1 -0.000818 -0.000420 0.000617 -0.000538 -0.000603 -0.000542 33O 1f-1 -0.000136 0.000106 -0.000431 0.000318 0.000424 -0.000316 33O 1f+2 0.000312 -0.000164 0.001068 -0.000701 -0.001069 0.000435 33O 1f-2 0.001022 0.000140 0.000676 -0.000492 -0.000471 0.000956 33O 1f+3 -0.000098 -0.000351 0.000954 -0.000689 -0.000954 0.000113 33O 1f-3 0.000762 0.000101 0.000523 -0.000346 -0.000328 0.000773 34O 1s -0.000187 0.009489 0.002692 -0.009141 0.007442 -0.000014 34O 2s -0.000462 0.022736 0.006449 -0.021900 0.017887 0.000011 34O 3s 0.000949 -0.034005 -0.009620 0.032613 -0.027636 -0.000923 34O 4s -0.000280 -0.054838 -0.015853 0.052235 -0.038139 0.004222 34O 5s 0.001668 -0.050828 -0.011433 0.063138 -0.060123 -0.002994 34O 1pz 0.085028 -0.075627 0.011336 0.055826 -0.045510 -0.071610 34O 1px 0.015576 0.091462 0.030926 -0.086771 0.075262 -0.031489 34O 1py 0.052853 0.064034 0.037152 -0.058583 0.046487 -0.063197 34O 2pz 0.071267 -0.062236 0.010503 0.046110 -0.037560 -0.060312 34O 2px 0.012492 0.070632 0.024355 -0.066092 0.059051 -0.024443 34O 2py 0.044766 0.053609 0.031754 -0.050223 0.039478 -0.054235 34O 3pz 0.038467 -0.034825 0.002068 0.021220 -0.015897 -0.033136 34O 3px 0.007461 0.040600 0.015546 -0.027278 0.034789 -0.012421 34O 3py 0.022913 0.032443 0.013588 -0.025756 0.013695 -0.030736 34O 1dz2 -0.000612 -0.000566 -0.000390 0.000735 -0.000657 0.000424 34O 1dxz 0.001876 -0.002129 0.000258 0.001588 -0.001261 -0.001670 34O 1dyz -0.000235 -0.000076 -0.000148 0.000116 -0.000045 0.000384 34O 1dx2y2 0.000424 0.001978 0.000735 -0.002026 0.001722 -0.001151 34O 1dxy 0.001186 0.001591 0.000947 -0.001329 0.001000 -0.001619 34O 2dz2 -0.002233 -0.000446 -0.001114 0.000468 -0.001246 0.002158 34O 2dxz 0.005486 -0.007438 0.000284 0.005596 -0.004881 -0.004944 34O 2dyz -0.000625 -0.001011 -0.000457 0.000485 -0.000303 0.001621 34O 2dx2y2 0.000784 0.003837 0.001647 -0.003244 0.004342 -0.001639 34O 2dxy 0.003827 0.007346 0.003499 -0.006819 0.005043 -0.005365 34O 1f0 -0.000825 0.000946 -0.000026 -0.000714 0.000671 0.000687 34O 1f+1 -0.000108 -0.000495 -0.000230 0.000432 -0.000503 0.000204 34O 1f-1 -0.000499 -0.000165 -0.000254 0.000229 -0.000161 0.000485 34O 1f+2 0.000945 -0.000904 0.000092 0.000710 -0.000614 -0.000901 34O 1f-2 -0.000648 0.000294 -0.000140 -0.000209 0.000226 0.000599 34O 1f+3 -0.000605 -0.001299 -0.000534 0.001168 -0.001182 0.000946 34O 1f-3 -0.000617 -0.000766 -0.000428 0.000748 -0.000549 0.000874 35O 1s -0.000228 -0.002592 0.009655 -0.007432 -0.008919 -0.000162 35O 2s -0.000535 -0.006221 0.023165 -0.017812 -0.021442 -0.000414 35O 3s 0.000601 0.009447 -0.035055 0.026546 0.033116 0.001299 35O 4s 0.002239 0.014700 -0.054636 0.043185 0.046229 -0.001864 35O 5s 0.000178 0.010103 -0.050279 0.042371 0.067940 0.003776 35O 1pz 0.049019 0.038624 -0.076257 0.059990 0.070502 0.024485 35O 1px 0.028908 -0.018809 0.106234 -0.077719 -0.096137 0.042271 35O 1py -0.082839 -0.021391 -0.021710 0.011565 0.003936 -0.064469 35O 2pz 0.041211 0.032803 -0.063406 0.050454 0.059143 0.020325 35O 2px 0.024671 -0.014047 0.083413 -0.060597 -0.075985 0.034216 35O 2py -0.069422 -0.018158 -0.020370 0.011594 0.005102 -0.055142 35O 3pz 0.021053 0.014661 -0.036216 0.029661 0.024750 0.008565 35O 3px 0.012793 -0.012890 0.049079 -0.024160 -0.041408 0.016529 35O 3py -0.036940 -0.007356 -0.008896 0.010027 -0.001904 -0.033320 35O 1dz2 -0.000251 0.000167 -0.000995 0.000801 0.001030 -0.000242 35O 1dxz 0.001039 0.001008 -0.001997 0.001527 0.001727 0.000492 35O 1dyz 0.000507 0.000410 -0.000747 0.000564 0.000665 0.000013 35O 1dx2y2 0.001236 -0.000122 0.002393 -0.001782 -0.002054 0.001736 35O 1dxy -0.001673 -0.000593 -0.000114 -0.000125 -0.000417 -0.001256 35O 2dz2 -0.001022 0.000086 -0.001621 0.000826 0.002276 -0.000517 35O 2dxz 0.002905 0.003455 -0.008352 0.006308 0.007406 0.000976 35O 2dyz 0.001940 0.001277 -0.002106 0.001824 0.002412 0.001573 35O 2dx2y2 0.003399 -0.000582 0.006510 -0.004091 -0.006009 0.004114 35O 2dxy -0.004916 -0.001309 -0.002165 0.001715 0.000305 -0.004310 35O 1f0 -0.000200 -0.000240 0.000754 -0.000589 -0.000701 -0.000070 35O 1f+1 0.000162 0.000268 -0.000911 0.000646 0.000965 -0.000042 35O 1f-1 0.000466 0.000195 -0.000209 0.000136 0.000310 0.000261 35O 1f+2 0.000748 0.000398 -0.000585 0.000484 0.000586 0.000485 35O 1f-2 0.000352 0.000359 -0.000731 0.000603 0.000746 0.000078 35O 1f+3 -0.001236 -0.000019 -0.001254 0.000840 0.001036 -0.001297 35O 1f-3 0.000431 0.000302 -0.000472 0.000302 0.000624 0.000299 84 85 86 87 88 89 -0.44286 -0.43518 -0.40973 -0.40466 -0.38802 -0.38740 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s 0.000005 0.000056 0.002291 -0.001153 -0.000851 -0.000153 0Rh 2s -0.000021 -0.000230 -0.008818 0.004198 0.003238 0.000574 0Rh 3s 0.000019 0.000181 0.007786 -0.004065 -0.002915 -0.000526 0Rh 4s 0.000087 0.000981 0.037401 -0.017668 -0.013718 -0.002425 0Rh 5s -0.000072 -0.000882 -0.029086 0.011753 0.010553 0.001701 0Rh 6s -0.000105 -0.001048 -0.057007 0.034361 0.021423 0.004330 0Rh 7s -0.000267 0.000202 0.063878 -0.050238 -0.025447 -0.005275 0Rh 8s 0.001178 -0.000689 0.026307 -0.052905 -0.024298 -0.002202 0Rh 1pz 0.001608 0.000051 0.000832 -0.002119 -0.000061 0.000089 0Rh 1px 0.000569 -0.000114 -0.002500 0.006703 0.000877 0.000139 0Rh 1py -0.000400 -0.000009 -0.000378 0.001872 0.000024 0.000098 0Rh 2pz -0.005419 -0.000173 -0.002805 0.007169 0.000194 -0.000301 0Rh 2px -0.001916 0.000384 0.008421 -0.022672 -0.002933 -0.000463 0Rh 2py 0.001346 0.000032 0.001250 -0.006301 -0.000075 -0.000333 0Rh 3pz 0.004067 0.000129 0.002077 -0.005773 0.000059 0.000260 0Rh 3px 0.001431 -0.000285 -0.006101 0.018147 0.001751 0.000264 0Rh 3py -0.000974 -0.000034 -0.000482 0.004466 -0.000050 0.000281 0Rh 4pz 0.007614 0.000249 0.004322 -0.009221 -0.000939 0.000340 0Rh 4px 0.002706 -0.000569 -0.013424 0.029485 0.005720 0.000947 0Rh 4py -0.002004 -0.000012 -0.003453 0.010154 0.000458 0.000362 0Rh 5pz -0.000045 -0.000029 -0.001162 0.000399 0.000801 -0.000028 0Rh 5px 0.000018 0.000143 0.004262 -0.001740 -0.002263 -0.000382 0Rh 5py 0.000008 -0.000082 0.003079 -0.003288 -0.000529 0.000156 0Rh 6pz -0.014969 0.000248 -0.008407 0.001646 0.002672 0.001745 0Rh 6px -0.006228 -0.000897 0.020248 -0.001188 -0.003505 -0.001930 0Rh 6py 0.006887 0.002384 -0.012611 0.006817 0.000838 0.001171 0Rh 1dz2 -0.001415 -0.000292 0.017049 -0.009129 0.002670 0.005259 0Rh 1dxz 0.002485 -0.000410 0.023536 -0.012458 0.005176 -0.000524 0Rh 1dyz 0.000385 0.000114 0.004801 -0.003668 -0.001252 0.015099 0Rh 1dx2y2 0.000893 0.000670 -0.034772 0.018391 -0.007533 0.001036 0Rh 1dxy 0.000210 0.000281 -0.021973 0.014118 -0.005377 0.004921 0Rh 2dz2 0.000041 0.000007 -0.000432 0.000192 -0.000051 -0.000072 0Rh 2dxz -0.000083 0.000012 -0.000579 0.000231 -0.000106 0.000012 0Rh 2dyz -0.000016 -0.000002 -0.000118 0.000085 0.000023 -0.000273 0Rh 2dx2y2 -0.000035 -0.000021 0.000827 -0.000313 0.000138 -0.000022 0Rh 2dxy -0.000002 -0.000007 0.000566 -0.000368 0.000122 -0.000088 0Rh 3dz2 0.001999 0.000417 -0.024423 0.013253 -0.003922 -0.007707 0Rh 3dxz -0.003474 0.000579 -0.033951 0.018296 -0.007575 0.000789 0Rh 3dyz -0.000527 -0.000167 -0.006813 0.005248 0.001824 -0.021993 0Rh 3dx2y2 -0.001226 -0.000940 0.050217 -0.027095 0.011061 -0.001532 0Rh 3dxy -0.000311 -0.000403 0.031675 -0.020371 0.007820 -0.007176 0Rh 4dz2 0.002815 0.000587 -0.033591 0.017376 -0.005086 -0.009970 0Rh 4dxz -0.005038 0.000839 -0.046258 0.023475 -0.010000 0.001036 0Rh 4dyz -0.000810 -0.000221 -0.009239 0.007011 0.002480 -0.029167 0Rh 4dx2y2 -0.001874 -0.001389 0.068241 -0.034431 0.014445 -0.002067 0Rh 4dxy -0.000390 -0.000553 0.043248 -0.027677 0.010502 -0.009558 0Rh 5dz2 0.002472 0.000269 -0.023315 0.017059 -0.004797 -0.009316 0Rh 5dxz -0.004053 0.000357 -0.031018 0.023052 -0.008579 0.000404 0Rh 5dyz -0.000777 -0.000137 -0.008119 0.006814 0.001727 -0.024181 0Rh 5dx2y2 -0.001363 -0.000553 0.045712 -0.034517 0.013167 -0.001041 0Rh 5dxy -0.000079 -0.000347 0.029824 -0.021476 0.008293 -0.007471 0Rh 1f0 -0.002189 -0.000002 0.000116 -0.000999 0.000546 0.000429 0Rh 1f+1 -0.001457 -0.000004 -0.000515 0.000998 -0.000482 -0.000595 0Rh 1f-1 0.001314 0.000041 -0.000706 0.000435 -0.000276 0.000461 0Rh 1f+2 -0.001660 0.000023 -0.000493 0.001284 -0.000777 0.000232 0Rh 1f-2 0.000090 0.000010 -0.001149 0.001132 -0.000171 -0.001202 0Rh 1f+3 0.000684 0.000026 -0.000099 0.001319 -0.000968 -0.000015 0Rh 1f-3 -0.000138 0.000012 -0.001542 0.001982 -0.000823 0.000476 1Rh 1s -0.000002 0.000056 0.002275 0.001184 0.000853 0.000113 1Rh 2s 0.000007 -0.000230 -0.008759 -0.004318 -0.003245 -0.000422 1Rh 3s -0.000006 0.000181 0.007729 0.004173 0.002920 0.000392 1Rh 4s -0.000029 0.000981 0.037154 0.018179 0.013745 0.001779 1Rh 5s 0.000026 -0.000881 -0.028919 -0.012147 -0.010576 -0.001193 1Rh 6s 0.000018 -0.001048 -0.056535 -0.035152 -0.021462 -0.003359 1Rh 7s 0.000375 0.000188 0.063210 0.051185 0.025491 0.004162 1Rh 8s -0.001319 -0.000628 0.025530 0.053221 0.024348 0.002376 1Rh 1pz 0.001607 -0.000046 -0.000817 -0.002133 0.000016 0.000138 1Rh 1px 0.000567 0.000113 0.002403 0.006730 0.000908 0.000079 1Rh 1py -0.000397 0.000030 0.000355 0.001881 0.000004 0.000349 1Rh 2pz -0.005416 0.000155 0.002754 0.007215 -0.000068 -0.000469 1Rh 2px -0.001912 -0.000381 -0.008094 -0.022766 -0.003038 -0.000261 1Rh 2py 0.001335 -0.000102 -0.001173 -0.006330 -0.000006 -0.001183 1Rh 3pz 0.004065 -0.000113 -0.002023 -0.005799 0.000269 0.000395 1Rh 3px 0.001428 0.000283 0.005844 0.018217 0.001836 0.000110 1Rh 3py -0.000965 0.000086 0.000428 0.004482 -0.000107 0.000968 1Rh 4pz 0.007608 -0.000233 -0.004303 -0.009325 -0.000596 0.000563 1Rh 4px 0.002700 0.000563 0.012984 0.029630 0.005854 0.000646 1Rh 4py -0.001994 0.000113 0.003329 0.010221 0.000373 0.001462 1Rh 5pz -0.000041 0.000032 0.001227 0.000470 0.000767 -0.000055 1Rh 5px 0.000021 -0.000143 -0.004215 -0.001779 -0.002271 -0.000284 1Rh 5py 0.000013 0.000071 -0.003034 -0.003334 -0.000527 0.000070 1Rh 6pz -0.014983 -0.000098 0.008115 0.001386 0.002332 0.001376 1Rh 6px -0.006202 0.000967 -0.020354 -0.001622 -0.003650 -0.001835 1Rh 6py 0.006866 -0.002480 0.012473 0.006991 0.000959 -0.000098 1Rh 1dz2 0.001476 -0.000291 0.016862 0.009266 -0.002545 -0.005592 1Rh 1dxz -0.002468 -0.000422 0.023474 0.012983 -0.005451 -0.000149 1Rh 1dyz -0.000485 0.000121 0.004791 0.003787 0.001195 -0.014919 1Rh 1dx2y2 -0.000782 0.000657 -0.034464 -0.018804 0.007326 0.000022 1Rh 1dxy -0.000191 0.000275 -0.021836 -0.014500 0.005455 -0.005674 1Rh 2dz2 -0.000042 0.000007 -0.000427 -0.000196 0.000047 0.000080 1Rh 2dxz 0.000083 0.000013 -0.000579 -0.000245 0.000114 0.000006 1Rh 2dyz 0.000019 -0.000002 -0.000119 -0.000089 -0.000021 0.000268 1Rh 2dx2y2 0.000033 -0.000021 0.000821 0.000323 -0.000133 -0.000006 1Rh 2dxy 0.000002 -0.000006 0.000561 0.000377 -0.000124 0.000108 1Rh 3dz2 -0.002089 0.000415 -0.024155 -0.013448 0.003743 0.008187 1Rh 3dxz 0.003449 0.000595 -0.033855 -0.019054 0.007973 0.000182 1Rh 3dyz 0.000669 -0.000178 -0.006795 -0.005416 -0.001743 0.021729 1Rh 3dx2y2 0.001064 -0.000921 0.049769 0.027693 -0.010762 0.000003 1Rh 3dxy 0.000282 -0.000396 0.031482 0.020928 -0.007933 0.008261 1Rh 4dz2 -0.002927 0.000585 -0.033229 -0.017651 0.004842 0.010630 1Rh 4dxz 0.005009 0.000864 -0.046158 -0.024504 0.010540 0.000289 1Rh 4dyz 0.001014 -0.000235 -0.009236 -0.007253 -0.002363 0.028819 1Rh 4dx2y2 0.001658 -0.001365 0.067652 0.035240 -0.014038 -0.000025 1Rh 4dxy 0.000356 -0.000541 0.042970 0.028415 -0.010654 0.011049 1Rh 5dz2 -0.002598 0.000265 -0.023005 -0.017213 0.004606 0.009729 1Rh 5dxz 0.004017 0.000359 -0.030836 -0.023782 0.008993 0.000498 1Rh 5dyz 0.000879 -0.000161 -0.008056 -0.006968 -0.001664 0.023885 1Rh 5dx2y2 0.001190 -0.000533 0.045178 0.035045 -0.012867 -0.000344 1Rh 5dxy 0.000031 -0.000341 0.029628 0.022034 -0.008406 0.008581 1Rh 1f0 -0.002188 0.000017 -0.000108 -0.001004 0.000554 0.000396 1Rh 1f+1 -0.001461 0.000009 0.000483 0.000980 -0.000484 -0.000603 1Rh 1f-1 0.001311 -0.000044 0.000696 0.000433 -0.000285 0.000396 1Rh 1f+2 -0.001662 -0.000006 0.000488 0.001317 -0.000756 0.000226 1Rh 1f-2 0.000084 -0.000007 0.001141 0.001160 -0.000166 -0.001256 1Rh 1f+3 0.000688 -0.000029 0.000069 0.001299 -0.000979 0.000005 1Rh 1f-3 -0.000138 -0.000018 0.001517 0.002007 -0.000822 0.000451 2C 1s 0.002191 0.000409 0.000059 -0.000100 0.000363 0.000515 2C 2s 0.004690 0.000879 0.000132 -0.000194 0.000786 0.001114 2C 3s -0.008595 -0.001657 -0.000479 0.000683 -0.001133 -0.001405 2C 4s -0.003873 -0.001284 0.000530 -0.002348 -0.002959 -0.005357 2C 5s -0.007281 -0.001175 0.000409 0.003179 -0.010184 -0.013594 2C 1pz -0.023326 -0.049682 0.005176 -0.000858 0.042770 0.060315 2C 1px -0.025664 -0.032275 -0.016584 -0.016562 -0.116478 -0.170827 2C 1py 0.104934 0.092392 -0.004070 -0.002754 -0.020073 -0.027593 2C 2pz -0.015513 -0.038953 0.004931 -0.003269 0.032328 0.045229 2C 2px -0.019537 -0.025035 -0.012729 -0.012568 -0.091284 -0.134399 2C 2py 0.085049 0.073082 -0.002523 -0.003416 -0.016237 -0.022889 2C 3pz -0.008321 -0.018051 0.000152 0.002481 0.012616 0.017219 2C 3px -0.007678 -0.011404 -0.002936 -0.009132 -0.041591 -0.060695 2C 3py 0.033972 0.030515 -0.002254 -0.002337 -0.008868 -0.012419 2C 1dz2 0.000208 -0.000571 0.000032 -0.000241 -0.000411 -0.000640 2C 1dxz 0.002417 0.002201 0.000296 0.000425 0.003642 0.005412 2C 1dyz 0.002236 0.000620 -0.000341 -0.000561 -0.002407 -0.003572 2C 1dx2y2 -0.000544 0.000103 -0.000561 -0.000361 -0.004026 -0.005836 2C 1dxy -0.002918 -0.003400 0.000145 0.000035 0.001917 0.002732 2C 2dz2 -0.001836 -0.003060 0.000011 -0.000554 -0.001549 -0.002295 2C 2dxz 0.000341 -0.000245 0.000416 -0.000386 0.003389 0.004915 2C 2dyz 0.005361 0.002499 -0.000019 -0.001102 -0.001836 -0.003040 2C 2dx2y2 -0.002785 -0.001707 -0.000215 0.000296 -0.001884 -0.002765 2C 2dxy -0.001781 -0.002308 0.000400 -0.000373 0.002192 0.003070 2C 1f0 -0.000863 -0.000772 0.000026 -0.000039 -0.000475 -0.000710 2C 1f+1 -0.000504 -0.000614 -0.000080 -0.000075 0.000024 0.000032 2C 1f-1 0.000302 -0.000058 0.000113 -0.000131 0.000125 0.000146 2C 1f+2 -0.001067 -0.000856 0.000010 0.000057 0.000348 0.000535 2C 1f-2 -0.000003 0.000001 -0.000031 -0.000047 0.000329 0.000493 2C 1f+3 0.000508 0.000287 -0.000008 -0.000041 0.000027 0.000041 2C 1f-3 0.000433 0.000284 -0.000038 -0.000033 -0.000376 -0.000567 3C 1s 0.001536 0.000607 -0.000108 0.000240 0.000386 -0.000289 3C 2s 0.003282 0.001302 -0.000217 0.000500 0.000843 -0.000626 3C 3s -0.006614 -0.001837 -0.000099 -0.001222 -0.001172 0.000904 3C 4s 0.001737 -0.004531 0.002172 0.002089 -0.002573 0.001636 3C 5s -0.003341 -0.007832 -0.002971 -0.013521 -0.012861 0.007993 3C 1pz -0.052370 0.093351 -0.009030 0.008993 0.057383 -0.040561 3C 1px -0.003465 0.020110 0.019850 -0.008579 -0.166665 0.122618 3C 1py -0.068736 0.053805 0.009560 -0.006938 -0.033626 0.026454 3C 2pz -0.038987 0.072933 -0.006686 0.008251 0.044966 -0.032334 3C 2px -0.001464 0.016013 0.015784 -0.004893 -0.130814 0.096310 3C 2py -0.058756 0.043369 0.006815 -0.008109 -0.026152 0.021078 3C 3pz -0.017598 0.030533 -0.003492 0.002713 0.018553 -0.013202 3C 3px 0.000962 0.005472 0.003768 -0.009213 -0.061728 0.045360 3C 3py -0.025117 0.020908 0.003177 -0.000637 -0.009861 0.008114 3C 1dz2 -0.002535 0.002779 0.000111 -0.000080 -0.001031 0.000811 3C 1dxz 0.000987 -0.000682 -0.000934 0.000575 0.007597 -0.005652 3C 1dyz -0.002461 0.001468 -0.000207 -0.000017 0.004188 -0.003002 3C 1dx2y2 0.000159 -0.002000 0.000276 -0.000263 -0.000056 -0.000022 3C 1dxy 0.000287 -0.001803 0.000040 -0.000340 -0.001243 0.000921 3C 2dz2 -0.004346 0.004157 0.000128 -0.000435 -0.001944 0.001368 3C 2dxz 0.000353 0.000685 -0.000610 0.000392 0.006425 -0.004874 3C 2dyz -0.002338 -0.000844 -0.000392 -0.001425 0.003939 -0.002578 3C 2dx2y2 -0.002952 0.001002 0.000082 -0.000903 0.000685 -0.000416 3C 2dxy -0.001134 -0.000896 0.000379 -0.000628 -0.002911 0.002143 3C 1f0 -0.000210 -0.000192 -0.000019 -0.000143 -0.000150 0.000119 3C 1f+1 -0.000291 0.000360 0.000065 -0.000011 -0.000684 0.000495 3C 1f-1 0.000711 -0.000985 0.000057 -0.000070 0.000058 -0.000016 3C 1f+2 -0.000172 0.000065 0.000033 -0.000041 0.000131 -0.000098 3C 1f-2 0.000164 -0.000429 -0.000143 -0.000071 0.000174 -0.000104 3C 1f+3 0.000736 -0.000458 0.000000 0.000131 0.000575 -0.000449 3C 1f-3 -0.000725 0.000559 0.000030 -0.000068 0.000920 -0.000687 4C 1s -0.001527 -0.000098 0.000071 -0.001260 0.000248 0.000115 4C 2s -0.003423 -0.000237 0.000155 -0.002728 0.000538 0.000254 4C 3s 0.008056 0.000926 0.001406 0.004962 -0.000294 0.000118 4C 4s -0.004760 -0.001400 -0.011711 0.005568 -0.004622 -0.002916 4C 5s 0.012663 0.005968 -0.017743 0.003103 0.008818 0.013102 4C 1pz -0.094225 -0.058970 0.002509 0.007753 -0.012569 -0.016870 4C 1px -0.045306 -0.035467 -0.004102 0.003216 0.028686 0.042012 4C 1py 0.081559 0.091207 -0.000336 0.007043 0.003310 0.006104 4C 2pz -0.072668 -0.049291 0.000009 0.001122 -0.008950 -0.010445 4C 2px -0.037368 -0.029904 -0.002954 0.004464 0.013844 0.015498 4C 2py 0.073298 0.078541 -0.001485 0.003778 -0.000047 -0.000091 4C 3pz -0.012622 -0.010953 -0.004980 0.000230 -0.007301 -0.009471 4C 3px -0.007018 -0.004470 -0.006981 0.014512 0.004427 0.003553 4C 3py 0.017173 0.013040 -0.005584 0.008838 -0.002908 -0.004422 4C 1dz2 -0.000769 -0.000477 -0.000350 -0.000400 -0.002879 -0.003943 4C 1dxz -0.000011 -0.000062 0.000629 0.001011 0.005166 0.007192 4C 1dyz 0.000568 0.000268 -0.000071 -0.000059 -0.000197 -0.000342 4C 1dx2y2 -0.001344 -0.000440 -0.000105 0.000070 0.000063 0.000071 4C 1dxy -0.000441 -0.000203 0.000632 0.000610 0.003790 0.005388 4C 2dz2 -0.002149 0.000350 -0.000764 -0.000585 -0.003467 -0.003587 4C 2dxz -0.000365 0.000621 0.003205 0.004132 0.007552 0.009545 4C 2dyz -0.002335 -0.000457 -0.000490 0.001364 -0.000379 -0.000340 4C 2dx2y2 -0.000561 0.000406 -0.001287 -0.001269 -0.001316 -0.002065 4C 2dxy -0.002202 -0.001133 -0.000265 0.002367 0.004873 0.006214 4C 1f0 -0.000794 -0.001079 0.000064 -0.000114 0.000949 0.001422 4C 1f+1 0.001130 0.000348 0.000359 -0.000039 -0.000743 -0.001268 4C 1f-1 -0.000478 -0.000297 0.000201 -0.000105 0.000307 0.000484 4C 1f+2 -0.002345 -0.001838 -0.000213 -0.000069 -0.000774 -0.001082 4C 1f-2 -0.002046 -0.001729 0.000068 0.000152 -0.001001 -0.001599 4C 1f+3 0.002022 0.001881 0.000000 -0.000071 -0.001041 -0.001489 4C 1f-3 -0.000839 -0.001189 0.000275 -0.000207 -0.000262 -0.000309 5C 1s -0.002081 -0.000144 0.000591 0.001630 -0.000278 -0.000044 5C 2s -0.004631 -0.000311 0.001304 0.003536 -0.000583 -0.000108 5C 3s 0.010347 0.000647 -0.000142 -0.006024 0.000551 0.000261 5C 4s -0.004447 0.000245 -0.017539 -0.009798 0.003735 0.000267 5C 5s 0.002786 0.007998 -0.020312 0.003161 0.011824 -0.007122 5C 1pz -0.097473 0.090651 0.001529 -0.006741 -0.013752 0.010910 5C 1px -0.027111 0.016803 0.007157 -0.001590 0.040488 -0.029295 5C 1py -0.023384 0.067524 -0.003107 0.012842 0.007691 -0.006943 5C 2pz -0.078720 0.077799 -0.000530 -0.003890 -0.005673 0.003699 5C 2px -0.019525 0.013394 0.004782 0.004977 0.017092 -0.008982 5C 2py -0.026784 0.057735 0.000480 0.006805 0.003325 -0.002508 5C 3pz -0.010803 0.010602 -0.006074 -0.010747 -0.005329 0.003471 5C 3px -0.003053 0.000495 0.003695 0.011844 0.006126 -0.003066 5C 3py -0.011648 0.014895 0.009089 0.016028 0.006106 -0.004729 5C 1dz2 -0.000569 0.000664 0.000233 -0.000401 -0.002520 0.001790 5C 1dxz 0.000067 0.000288 -0.000493 0.000451 0.003878 -0.002811 5C 1dyz 0.000445 -0.000206 -0.000283 0.000449 0.003306 -0.002325 5C 1dx2y2 -0.001170 0.000148 -0.000337 0.000551 0.004005 -0.002839 5C 1dxy -0.000283 -0.000045 0.001064 -0.000821 -0.006911 0.004828 5C 2dz2 -0.000033 0.000626 0.002393 -0.001151 -0.003808 0.002056 5C 2dxz -0.000244 -0.000380 -0.000583 0.000788 0.005936 -0.004006 5C 2dyz 0.003406 0.000750 0.000184 0.003131 0.004700 -0.003023 5C 2dx2y2 0.001256 -0.001777 -0.002787 0.003814 0.004636 -0.003282 5C 2dxy 0.001888 -0.000947 0.001151 -0.002018 -0.008645 0.004963 5C 1f0 0.001144 -0.000722 0.000128 0.000166 0.000620 -0.000411 5C 1f+1 0.001603 -0.001094 0.000129 -0.000038 -0.000429 0.000272 5C 1f-1 0.002069 -0.002545 -0.000065 0.000061 -0.000735 0.000571 5C 1f+2 -0.001459 0.001773 -0.000218 0.000004 -0.001739 0.001301 5C 1f-2 0.000327 -0.000963 -0.000353 -0.000411 0.000550 -0.000466 5C 1f+3 0.000714 -0.000284 0.000260 0.000097 -0.001655 0.001217 5C 1f-3 -0.000016 -0.000716 -0.000411 -0.000027 -0.001360 0.001154 6C 1s 0.002080 -0.000155 0.000581 -0.001616 0.000277 0.000038 6C 2s 0.004629 -0.000336 0.001283 -0.003503 0.000581 0.000094 6C 3s -0.010369 0.000691 -0.000144 0.006088 -0.000560 -0.000209 6C 4s 0.004558 0.000240 -0.017248 0.008952 -0.003732 -0.000346 6C 5s -0.002713 0.007914 -0.020240 -0.003840 -0.011572 0.006238 6C 1pz -0.098369 -0.090476 -0.001619 -0.006752 -0.013326 0.009658 6C 1px -0.027288 -0.016778 -0.007221 -0.001745 0.039294 -0.025753 6C 1py -0.023901 -0.067634 0.003170 0.012908 0.007478 -0.006250 6C 2pz -0.079498 -0.077703 0.000377 -0.003747 -0.005487 0.003160 6C 2px -0.019688 -0.013394 -0.004644 0.004805 0.016491 -0.007370 6C 2py -0.027177 -0.057741 -0.000393 0.006648 0.003251 -0.002258 6C 3pz -0.011100 -0.010654 0.005900 -0.010304 -0.005317 0.003155 6C 3px -0.003194 -0.000508 -0.003788 0.011807 0.006070 -0.003079 6C 3py -0.011518 -0.014771 -0.008989 0.015386 0.006095 -0.004191 6C 1dz2 0.000578 0.000666 0.000226 0.000420 0.002441 -0.001609 6C 1dxz -0.000064 0.000289 -0.000490 -0.000476 -0.003774 0.002534 6C 1dyz -0.000451 -0.000208 -0.000280 -0.000463 -0.003219 0.002074 6C 1dx2y2 0.001175 0.000143 -0.000333 -0.000570 -0.003900 0.002525 6C 1dxy 0.000280 -0.000050 0.001059 0.000862 0.006740 -0.004293 6C 2dz2 0.000043 0.000637 0.002376 0.001242 0.003652 -0.001794 6C 2dxz 0.000215 -0.000423 -0.000599 -0.000732 -0.005787 0.003617 6C 2dyz -0.003415 0.000771 0.000156 -0.003123 -0.004564 0.002676 6C 2dx2y2 -0.001229 -0.001738 -0.002772 -0.003967 -0.004478 0.002882 6C 2dxy -0.001888 -0.000925 0.001165 0.002046 0.008455 -0.004345 6C 1f0 0.001153 0.000720 -0.000122 0.000156 0.000601 -0.000360 6C 1f+1 0.001617 0.001093 -0.000129 -0.000046 -0.000419 0.000235 6C 1f-1 0.002092 0.002543 0.000068 0.000061 -0.000719 0.000525 6C 1f+2 -0.001477 -0.001774 0.000214 0.000008 -0.001701 0.001185 6C 1f-2 0.000336 0.000968 0.000346 -0.000394 0.000544 -0.000441 6C 1f+3 0.000720 0.000285 -0.000259 0.000087 -0.001618 0.001119 6C 1f-3 -0.000013 0.000719 0.000403 -0.000008 -0.001334 0.001066 7C 1s 0.001511 -0.000097 0.000022 0.001257 -0.000247 -0.000131 7C 2s 0.003386 -0.000235 0.000050 0.002720 -0.000537 -0.000290 7C 3s -0.007981 0.000919 0.001568 -0.005004 0.000314 -0.000013 7C 4s 0.004824 -0.001449 -0.011329 -0.005207 0.004532 0.002858 7C 5s -0.012331 0.005704 -0.017668 -0.002995 -0.008851 -0.012814 7C 1pz -0.093990 0.059558 -0.002882 0.007698 -0.012206 -0.015562 7C 1px -0.045153 0.035731 0.004012 0.003159 0.027722 0.038919 7C 1py 0.081406 -0.092064 0.000122 0.007035 0.003063 0.005542 7C 2pz -0.072493 0.049764 -0.000109 0.001003 -0.008641 -0.009442 7C 2px -0.037232 0.030132 0.002627 0.004331 0.013376 0.013996 7C 2py 0.073165 -0.079270 0.001339 0.003677 -0.000124 -0.000218 7C 3pz -0.012373 0.010969 0.004645 -0.000188 -0.007047 -0.009027 7C 3px -0.006989 0.004506 0.006475 0.014289 0.004500 0.003544 7C 3py 0.017391 -0.013277 0.005266 0.008509 -0.002840 -0.004228 7C 1dz2 0.000775 -0.000488 -0.000354 0.000407 0.002773 0.003672 7C 1dxz 0.000016 -0.000067 0.000641 -0.001027 -0.005011 -0.006718 7C 1dyz -0.000564 0.000271 -0.000071 0.000059 0.000203 0.000328 7C 1dx2y2 0.001331 -0.000434 -0.000107 -0.000071 -0.000051 -0.000074 7C 1dxy 0.000435 -0.000199 0.000640 -0.000615 -0.003686 -0.005016 7C 2dz2 0.002207 0.000306 -0.000769 0.000555 0.003359 0.003321 7C 2dxz 0.000393 0.000599 0.003314 -0.004188 -0.007328 -0.008880 7C 2dyz 0.002324 -0.000448 -0.000440 -0.001363 0.000395 0.000334 7C 2dx2y2 0.000504 0.000456 -0.001303 0.001361 0.001250 0.001898 7C 2dxy 0.002191 -0.001145 -0.000186 -0.002361 -0.004716 -0.005700 7C 1f0 -0.000788 0.001085 -0.000062 -0.000110 0.000924 0.001342 7C 1f+1 0.001133 -0.000356 -0.000352 -0.000032 -0.000732 -0.001208 7C 1f-1 -0.000494 0.000319 -0.000196 -0.000106 0.000302 0.000476 7C 1f+2 -0.002342 0.001858 0.000214 -0.000073 -0.000752 -0.001014 7C 1f-2 -0.002046 0.001750 -0.000074 0.000150 -0.000973 -0.001522 7C 1f+3 0.002019 -0.001898 0.000005 -0.000069 -0.001013 -0.001406 7C 1f-3 -0.000835 0.001196 -0.000262 -0.000198 -0.000252 -0.000279 8C 1s -0.001542 0.000608 -0.000111 -0.000244 -0.000383 0.000266 8C 2s -0.003296 0.001304 -0.000223 -0.000508 -0.000836 0.000577 8C 3s 0.006632 -0.001858 -0.000083 0.001226 0.001164 -0.000824 8C 4s -0.001660 -0.004398 0.002153 -0.002074 0.002602 -0.001579 8C 5s 0.003485 -0.007867 -0.002815 0.013020 0.012545 -0.006775 8C 1pz -0.053054 -0.093319 0.008909 0.009400 0.055936 -0.036867 8C 1px -0.003579 -0.020203 -0.019671 -0.009497 -0.162835 0.111199 8C 1py -0.069228 -0.053647 -0.009650 -0.007214 -0.033034 0.024110 8C 2pz -0.039561 -0.072967 0.006596 0.008591 0.043767 -0.029367 8C 2px -0.001576 -0.016118 -0.015642 -0.005603 -0.127811 0.087362 8C 2py -0.059132 -0.043181 -0.006908 -0.008351 -0.025632 0.019202 8C 3pz -0.017811 -0.030516 0.003468 0.002896 0.018171 -0.012124 8C 3px 0.000985 -0.005461 -0.003701 -0.009438 -0.060319 0.041033 8C 3py -0.025173 -0.020777 -0.003147 -0.000808 -0.009670 0.007413 8C 1dz2 0.002558 0.002773 0.000101 0.000076 0.000904 -0.000662 8C 1dxz -0.001046 -0.000753 -0.000926 -0.000612 -0.007390 0.005106 8C 1dyz 0.002452 0.001427 -0.000205 -0.000003 -0.004145 0.002759 8C 1dx2y2 -0.000148 -0.001972 0.000285 0.000276 0.000118 -0.000033 8C 1dxy -0.000321 -0.001839 0.000047 0.000348 0.001273 -0.000874 8C 2dz2 0.004387 0.004146 0.000122 0.000441 0.001808 -0.001169 8C 2dxz -0.000382 0.000651 -0.000611 -0.000429 -0.006231 0.004379 8C 2dyz 0.002310 -0.000888 -0.000384 0.001409 -0.003887 0.002345 8C 2dx2y2 0.002963 0.000988 0.000084 0.000917 -0.000657 0.000357 8C 2dxy 0.001108 -0.000936 0.000390 0.000646 0.002860 -0.001949 8C 1f0 -0.000209 0.000196 0.000016 -0.000144 -0.000156 0.000115 8C 1f+1 -0.000295 -0.000365 -0.000064 -0.000011 -0.000664 0.000445 8C 1f-1 0.000720 0.000984 -0.000057 -0.000071 0.000062 -0.000015 8C 1f+2 -0.000176 -0.000069 -0.000035 -0.000042 0.000123 -0.000085 8C 1f-2 0.000172 0.000432 0.000143 -0.000066 0.000164 -0.000091 8C 1f+3 0.000744 0.000457 -0.000000 0.000132 0.000547 -0.000394 8C 1f-3 -0.000722 -0.000551 -0.000030 -0.000067 0.000904 -0.000625 9C 1s -0.002146 0.000381 0.000053 0.000098 -0.000358 -0.000493 9C 2s -0.004593 0.000817 0.000119 0.000191 -0.000774 -0.001066 9C 3s 0.008433 -0.001561 -0.000439 -0.000694 0.001105 0.001344 9C 4s 0.003619 -0.001067 0.000442 0.002449 0.002892 0.005038 9C 5s 0.006922 -0.001136 0.000837 -0.002721 0.010055 0.013358 9C 1pz -0.023969 0.050700 -0.005051 -0.000725 0.041521 0.056591 9C 1px -0.025798 0.032684 0.016711 -0.016878 -0.113342 -0.160960 9C 1py 0.104379 -0.092830 0.004235 -0.002798 -0.019230 -0.025799 9C 2pz -0.015965 0.039697 -0.004755 -0.003204 0.031417 0.042473 9C 2px -0.019657 0.025374 0.012819 -0.012813 -0.088785 -0.126580 9C 2py 0.084705 -0.073509 0.002685 -0.003475 -0.015488 -0.021291 9C 3pz -0.008438 0.018326 -0.000219 0.002422 0.012251 0.016179 9C 3px -0.007639 0.011471 0.003060 -0.009216 -0.040569 -0.057336 9C 3py 0.033775 -0.030625 0.002229 -0.002384 -0.008503 -0.011737 9C 1dz2 -0.000151 -0.000623 0.000022 0.000243 0.000412 0.000625 9C 1dxz -0.002381 0.002193 0.000309 -0.000445 -0.003645 -0.005232 9C 1dyz -0.002290 0.000691 -0.000353 0.000563 0.002324 0.003345 9C 1dx2y2 0.000413 0.000249 -0.000559 0.000363 0.003898 0.005465 9C 1dxy 0.002906 -0.003420 0.000123 -0.000019 -0.001694 -0.002330 9C 2dz2 0.001865 -0.003099 -0.000006 0.000553 0.001472 0.002105 9C 2dxz -0.000304 -0.000263 0.000413 0.000377 -0.003378 -0.004732 9C 2dyz -0.005389 0.002558 -0.000052 0.001109 0.001753 0.002817 9C 2dx2y2 0.002710 -0.001652 -0.000207 -0.000300 0.001847 0.002613 9C 2dxy 0.001745 -0.002296 0.000373 0.000371 -0.002031 -0.002742 9C 1f0 -0.000862 0.000776 -0.000027 -0.000039 -0.000453 -0.000654 9C 1f+1 -0.000499 0.000612 0.000085 -0.000077 0.000008 0.000008 9C 1f-1 0.000284 0.000075 -0.000107 -0.000131 0.000117 0.000132 9C 1f+2 -0.001067 0.000867 -0.000012 0.000060 0.000336 0.000499 9C 1f-2 -0.000012 0.000009 0.000033 -0.000049 0.000326 0.000471 9C 1f+3 0.000508 -0.000294 0.000007 -0.000039 0.000050 0.000070 9C 1f-3 0.000453 -0.000298 0.000040 -0.000036 -0.000373 -0.000545 10H 1s -0.016042 -0.009268 -0.008604 -0.007127 -0.065224 -0.095209 10H 2s -0.022418 -0.013769 -0.011821 -0.011351 -0.092851 -0.135326 10H 3s -0.005405 -0.003710 -0.006798 -0.001019 -0.033018 -0.049262 10H 1pz -0.002406 -0.002782 -0.000584 -0.000781 -0.003779 -0.005530 10H 1px 0.001420 0.000268 0.000483 0.000423 0.004172 0.006037 10H 1py 0.003231 0.002935 -0.000422 -0.000382 -0.002423 -0.003440 11H 1s 0.038756 0.048294 0.002936 0.005433 0.021927 0.033444 11H 2s 0.053155 0.067361 0.004348 0.008357 0.031477 0.048127 11H 3s 0.015396 0.016327 0.001366 0.002202 0.011799 0.017311 11H 1pz 0.003676 0.003674 0.000509 0.000596 0.003567 0.005262 11H 1px 0.003484 0.004241 -0.000274 0.000016 -0.001912 -0.002661 11H 1py 0.001079 -0.000070 -0.000324 -0.000470 -0.002238 -0.003318 12H 1s -0.046671 -0.041473 0.006184 0.004984 0.042064 0.060547 12H 2s -0.063722 -0.057632 0.008821 0.007695 0.060311 0.086507 12H 3s -0.015642 -0.015636 0.001924 0.000521 0.021718 0.031562 12H 1pz 0.000430 -0.000676 -0.000010 -0.000165 0.000084 0.000047 12H 1px -0.004254 -0.004120 -0.000153 -0.000185 -0.001289 -0.001986 12H 1py -0.003456 -0.003140 0.000733 0.000730 0.004972 0.007152 13H 1s 0.003001 -0.015566 0.012187 -0.007754 -0.090636 0.066437 13H 2s 0.004652 -0.022226 0.016767 -0.011274 -0.127214 0.093071 13H 3s 0.001271 -0.004812 0.006333 -0.000269 -0.045566 0.033873 13H 1pz -0.001424 0.001453 0.000906 -0.000567 -0.006771 0.004970 13H 1px -0.000378 0.002395 -0.000501 0.000545 0.003205 -0.002336 13H 1py -0.002794 0.002973 -0.000363 0.000248 0.003479 -0.002439 14H 1s 0.019010 -0.037674 -0.007567 0.002171 0.066794 -0.049797 14H 2s 0.026066 -0.052234 -0.010474 0.004033 0.094804 -0.070703 14H 3s 0.009103 -0.013909 -0.005053 -0.000159 0.034620 -0.025708 14H 1pz -0.000124 -0.000012 -0.000937 0.000564 0.007016 -0.005148 14H 1px 0.002665 -0.004708 -0.000359 0.000111 0.002923 -0.002240 14H 1py -0.002307 0.001368 0.000200 -0.000232 0.000406 -0.000269 15H 1s -0.044577 0.049633 -0.001318 0.001080 0.023735 -0.016172 15H 2s -0.061017 0.069513 -0.001486 0.002423 0.034051 -0.023168 15H 3s -0.012500 0.016903 -0.000353 0.000055 0.013322 -0.008946 15H 1pz 0.002648 -0.001758 -0.000178 0.000115 -0.000265 0.000153 15H 1px -0.001705 0.002522 0.000671 -0.000262 -0.005262 0.003908 15H 1py 0.003555 -0.004877 0.000483 -0.000485 -0.004039 0.002858 16H 1s -0.002621 -0.000065 -0.058013 0.059794 -0.006194 -0.000911 16H 2s -0.002189 -0.000345 -0.068419 0.071320 -0.008514 -0.002919 16H 3s -0.000322 0.000216 -0.027139 0.029194 -0.001337 -0.002110 16H 1pz -0.000126 -0.000073 -0.005886 0.006311 -0.000647 -0.000194 16H 1px -0.000131 -0.000023 -0.008521 0.008486 -0.000318 0.000155 16H 1py -0.000041 -0.000009 0.003359 -0.003936 0.000859 0.000355 17H 1s 0.002344 0.000006 -0.057319 0.059270 -0.006037 -0.001889 17H 2s 0.001068 -0.000058 -0.066826 0.069953 -0.008482 -0.001485 17H 3s 0.000076 0.000196 -0.025434 0.027362 -0.001482 0.000742 17H 1pz 0.000009 0.000005 0.010287 -0.010668 0.000804 0.000255 17H 1px 0.000088 -0.000029 -0.002796 0.002462 0.000255 -0.000064 17H 1py 0.000081 0.000009 0.002051 -0.002535 0.000793 0.000035 18H 1s -0.002286 -0.000014 -0.056521 -0.060041 0.005924 0.002344 18H 2s -0.000982 -0.000084 -0.066080 -0.071025 0.008346 0.002049 18H 3s -0.000040 0.000182 -0.024986 -0.027687 0.001531 -0.000672 18H 1pz 0.000015 -0.000007 -0.010120 -0.010774 0.000781 0.000364 18H 1px 0.000091 0.000029 0.002801 0.002548 0.000253 -0.000173 18H 1py 0.000090 -0.000012 -0.002184 -0.002752 0.000826 -0.000026 19H 1s 0.002664 -0.000081 -0.057135 -0.060571 0.006271 0.001394 19H 2s 0.002276 -0.000351 -0.067421 -0.072304 0.008615 0.003485 19H 3s 0.000368 0.000203 -0.026763 -0.029552 0.001255 0.002182 19H 1pz -0.000131 0.000071 0.005914 0.006525 -0.000674 -0.000226 19H 1px -0.000130 0.000024 0.008398 0.008602 -0.000322 -0.000004 19H 1py -0.000034 0.000005 -0.003115 -0.003773 0.000833 0.000293 20H 1s 0.044912 0.049450 -0.001307 -0.001251 -0.023743 0.015104 20H 2s 0.061471 0.069252 -0.001464 -0.002664 -0.034018 0.021639 20H 3s 0.012678 0.016925 -0.000364 -0.000069 -0.013240 0.008191 20H 1pz 0.002661 0.001745 0.000175 0.000111 -0.000322 0.000186 20H 1px -0.001774 -0.002579 -0.000663 -0.000286 -0.005097 0.003510 20H 1py 0.003566 0.004839 -0.000484 -0.000515 -0.004002 0.002640 21H 1s -0.019485 -0.037979 -0.007469 -0.002472 -0.064843 0.044830 21H 2s -0.026705 -0.052654 -0.010331 -0.004449 -0.092038 0.063680 21H 3s -0.009334 -0.014032 -0.005038 0.000030 -0.033595 0.023151 21H 1pz -0.000091 0.000072 0.000930 0.000605 0.006870 -0.004684 21H 1px 0.002717 0.004726 0.000346 0.000118 0.002767 -0.001970 21H 1py -0.002311 -0.001344 -0.000203 -0.000232 0.000402 -0.000246 22H 1s -0.002826 -0.015187 0.012122 0.008294 0.088694 -0.060403 22H 2s -0.004398 -0.021662 0.016662 0.012004 0.124572 -0.084690 22H 3s -0.001173 -0.004635 0.006318 0.000568 0.044528 -0.030843 22H 1pz -0.001473 -0.001511 -0.000895 -0.000598 -0.006584 0.004485 22H 1px -0.000364 -0.002363 0.000505 0.000569 0.003192 -0.002168 22H 1py -0.002800 -0.002949 0.000363 0.000272 0.003455 -0.002254 23H 1s 0.046888 -0.042216 0.006189 -0.004984 -0.040125 -0.055978 23H 2s 0.064008 -0.058653 0.008857 -0.007701 -0.057595 -0.080083 23H 3s 0.015739 -0.015882 0.001887 -0.000593 -0.020723 -0.029110 23H 1pz 0.000444 0.000663 0.000018 -0.000164 0.000076 0.000028 23H 1px -0.004169 0.004094 0.000167 -0.000207 -0.001379 -0.002039 23H 1py -0.003549 0.003274 -0.000740 0.000736 0.004789 0.006672 24H 1s -0.038518 0.048522 0.003105 -0.005591 -0.022260 -0.032781 24H 2s -0.052880 0.067705 0.004584 -0.008596 -0.031942 -0.047153 24H 3s -0.015355 0.016525 0.001405 -0.002284 -0.011946 -0.017073 24H 1pz 0.003606 -0.003637 -0.000522 0.000616 0.003545 0.005054 24H 1px 0.003519 -0.004332 0.000257 0.000033 -0.001734 -0.002331 24H 1py 0.001140 -0.000008 0.000337 -0.000476 -0.002206 -0.003168 25H 1s 0.015271 -0.008591 -0.008633 0.007304 0.063594 0.089814 25H 2s 0.021337 -0.012799 -0.011881 0.011596 0.090493 0.127623 25H 3s 0.005186 -0.003486 -0.006794 0.001073 0.032080 0.046205 25H 1pz -0.002358 0.002752 0.000599 -0.000796 -0.003730 -0.005284 25H 1px 0.001303 -0.000156 -0.000480 0.000432 0.004059 0.005685 25H 1py 0.003261 -0.002988 0.000419 -0.000378 -0.002261 -0.003112 26O 1s -0.000445 -0.000059 -0.000668 0.001246 -0.000263 0.000011 26O 2s -0.001031 -0.000130 -0.001569 0.002966 -0.000702 -0.000048 26O 3s 0.000750 0.000005 0.001867 -0.004161 0.001875 0.000842 26O 4s 0.006225 0.001323 0.005532 -0.008141 0.000684 0.000066 26O 5s -0.002023 -0.001109 0.008994 -0.012307 -0.001340 -0.001392 26O 1pz -0.062261 -0.041692 0.003945 0.013001 0.002911 0.000455 26O 1px -0.010114 -0.023784 0.000187 -0.017300 -0.041267 -0.060099 26O 1py 0.080184 0.068631 0.003572 0.000308 -0.012158 -0.018570 26O 2pz -0.052957 -0.035355 0.004054 0.009840 0.002205 0.000090 26O 2px -0.010533 -0.020467 0.000032 -0.013749 -0.034219 -0.050159 26O 2py 0.066692 0.057737 0.003011 0.000248 -0.010413 -0.015880 26O 3pz -0.029329 -0.017992 -0.000699 0.009206 0.006509 0.007361 26O 3px -0.006372 -0.010252 -0.009492 -0.003715 -0.016992 -0.028983 26O 3py 0.036449 0.033156 0.000075 0.001294 -0.001100 -0.003866 26O 1dz2 0.000357 0.000130 -0.000042 -0.000113 -0.000584 -0.000882 26O 1dxz 0.001697 0.001140 -0.000165 -0.000155 0.000016 0.000061 26O 1dyz 0.000586 0.000298 -0.000198 -0.000008 -0.000132 -0.000257 26O 1dx2y2 0.001024 0.001355 0.000061 0.000285 0.000669 0.000955 26O 1dxy -0.001746 -0.001471 -0.000089 0.000096 0.000508 0.000706 26O 2dz2 -0.000686 -0.000174 -0.000167 -0.000218 -0.001430 -0.002621 26O 2dxz 0.004913 0.003188 -0.000432 -0.000846 -0.000628 -0.000775 26O 2dyz 0.001747 0.001341 0.000113 -0.000384 -0.000926 -0.001652 26O 2dx2y2 0.002983 0.003669 0.000428 0.000750 0.001699 0.002810 26O 2dxy -0.005150 -0.004598 -0.000000 -0.000155 0.000807 0.001409 26O 1f0 0.000464 0.000297 -0.000038 -0.000037 0.000063 0.000079 26O 1f+1 -0.000335 -0.000157 -0.000072 0.000159 0.000277 0.000408 26O 1f-1 -0.000617 -0.000444 -0.000087 0.000114 0.000198 0.000192 26O 1f+2 -0.000887 -0.000682 0.000075 -0.000009 -0.000131 -0.000154 26O 1f-2 -0.000544 -0.000316 -0.000028 0.000083 -0.000002 -0.000052 26O 1f+3 0.001127 0.001183 0.000061 0.000083 0.000130 0.000196 26O 1f-3 -0.000562 -0.000431 -0.000049 0.000118 0.000307 0.000492 27O 1s 0.000277 -0.000135 0.001208 -0.001708 0.000175 -0.000011 27O 2s 0.000686 -0.000302 0.002928 -0.004148 0.000322 0.000030 27O 3s -0.001626 0.000114 -0.004966 0.007069 0.000677 -0.000679 27O 4s 0.000678 0.002470 -0.005690 0.007259 -0.002321 0.000475 27O 5s -0.004550 0.000783 0.006698 -0.000565 -0.008666 0.002036 27O 1pz -0.072499 0.067857 -0.006897 0.001523 0.012125 -0.007786 27O 1px 0.003166 0.016490 -0.001241 0.004334 -0.063342 0.043793 27O 1py -0.031516 0.046677 0.011473 -0.001309 0.002430 -0.005861 27O 2pz -0.061033 0.057153 -0.005693 0.000971 0.009881 -0.006279 27O 2px 0.001480 0.013093 -0.001937 0.004165 -0.051948 0.036368 27O 2py -0.026319 0.039898 0.009613 -0.000606 0.001768 -0.004684 27O 3pz -0.035776 0.032487 -0.000267 0.001897 0.008879 -0.007415 27O 3px -0.002324 0.007461 -0.005814 0.004467 -0.024555 0.021035 27O 3py -0.011902 0.021075 0.006023 -0.005291 -0.005017 0.001168 27O 1dz2 -0.000079 0.000232 -0.000110 0.000101 -0.000676 0.000434 27O 1dxz 0.001968 -0.001770 0.000050 0.000096 -0.000324 0.000205 27O 1dyz -0.000393 0.000404 0.000097 -0.000056 0.000250 -0.000244 27O 1dx2y2 0.000036 -0.000708 0.000115 -0.000212 0.001367 -0.000924 27O 1dxy 0.000633 -0.001180 -0.000130 -0.000099 -0.000238 0.000196 27O 2dz2 -0.001267 0.001299 -0.000638 0.000840 -0.001194 0.000837 27O 2dxz 0.005547 -0.005191 -0.000514 0.000213 -0.001523 0.001069 27O 2dyz -0.000012 0.001080 0.000435 -0.000456 0.001245 -0.001057 27O 2dx2y2 0.000533 -0.001498 0.001688 -0.001986 0.003274 -0.002700 27O 2dxy 0.002257 -0.004016 -0.000141 0.000278 0.000904 -0.000546 27O 1f0 0.000892 -0.000768 0.000100 -0.000002 -0.000164 0.000072 27O 1f+1 0.000036 -0.000130 -0.000012 -0.000024 0.000382 -0.000302 27O 1f-1 0.000315 -0.000392 0.000015 -0.000062 -0.000064 0.000058 27O 1f+2 -0.000855 0.000850 0.000180 -0.000180 0.000038 -0.000067 27O 1f-2 0.000585 -0.000582 0.000184 -0.000049 -0.000178 0.000088 27O 1f+3 0.000270 -0.000654 -0.000191 -0.000055 0.000488 -0.000320 27O 1f-3 0.000382 -0.000665 0.000020 -0.000124 -0.000242 0.000197 28O 1s -0.000411 -0.000104 0.001228 0.001500 -0.000460 -0.000582 28O 2s -0.000949 -0.000238 0.002992 0.003655 -0.001012 -0.001286 28O 3s 0.000685 0.000196 -0.005242 -0.006387 0.000331 0.000516 28O 4s 0.005534 0.001204 -0.005180 -0.005825 0.005465 0.006749 28O 5s -0.002480 0.000156 0.004370 0.000405 0.009997 0.008092 28O 1pz -0.049673 -0.041211 -0.006406 -0.003376 0.025718 0.040661 28O 1px -0.052950 -0.027912 -0.003481 0.000189 -0.042702 -0.056307 28O 1py 0.073394 0.069449 -0.006222 -0.001603 -0.000650 0.000220 28O 2pz -0.042884 -0.034698 -0.005737 -0.002981 0.019871 0.032075 28O 2px -0.043279 -0.023221 -0.002145 0.000791 -0.034209 -0.045426 28O 2py 0.061183 0.057978 -0.004887 -0.000858 -0.000720 -0.000130 28O 3pz -0.024900 -0.019221 -0.003449 -0.003605 0.007924 0.016120 28O 3px -0.024034 -0.013311 0.004004 0.001139 -0.016534 -0.026739 28O 3py 0.033971 0.033683 -0.004111 -0.003743 -0.001849 -0.002541 28O 1dz2 0.001759 0.001260 0.000026 -0.000084 0.000121 0.000156 28O 1dxz -0.000243 -0.000384 -0.000151 -0.000125 0.000991 0.001379 28O 1dyz -0.001027 -0.001119 -0.000004 -0.000075 0.000083 0.000190 28O 1dx2y2 -0.001024 -0.000440 -0.000010 0.000114 -0.000733 -0.000935 28O 1dxy 0.001541 0.001545 -0.000092 0.000019 0.000086 0.000178 28O 2dz2 0.004229 0.003330 -0.000112 0.000145 0.001047 0.001580 28O 2dxz -0.002227 -0.001726 -0.001111 -0.001496 0.001482 0.002639 28O 2dyz -0.003103 -0.002921 -0.000141 -0.000228 0.001092 0.001701 28O 2dx2y2 -0.003518 -0.001812 0.000977 0.000924 -0.001809 -0.002717 28O 2dxy 0.004231 0.004579 -0.000095 -0.000205 -0.000289 -0.000162 28O 1f0 -0.000987 -0.000723 -0.000048 0.000041 -0.000162 -0.000202 28O 1f+1 0.001061 0.000820 -0.000054 -0.000094 -0.000157 -0.000259 28O 1f-1 0.000037 0.000173 -0.000222 -0.000076 -0.000086 -0.000008 28O 1f+2 -0.000054 -0.000220 0.000137 0.000004 0.000374 0.000520 28O 1f-2 -0.001030 -0.000981 0.000015 -0.000088 -0.000040 -0.000038 28O 1f+3 0.000270 0.000084 -0.000000 -0.000079 0.000151 0.000244 28O 1f-3 -0.000755 -0.000751 -0.000036 -0.000034 -0.000073 -0.000109 29O 1s -0.000044 0.000012 -0.019123 0.020540 -0.002936 -0.000686 29O 2s -0.000104 0.000028 -0.046020 0.049471 -0.007111 -0.001663 29O 3s 0.000124 -0.000042 0.072068 -0.077909 0.011701 0.002751 29O 4s 0.000315 -0.000165 0.101169 -0.107246 0.014022 0.003142 29O 5s 0.000649 0.000499 0.102319 -0.115349 0.019737 0.005378 29O 1pz 0.006556 0.000187 0.088855 -0.088906 0.006861 -0.000703 29O 1px 0.001894 -0.000157 -0.195170 0.192048 -0.011106 -0.002716 29O 1py -0.000025 0.000021 0.172716 -0.188392 0.026706 0.006729 29O 2pz 0.005340 0.000081 0.074477 -0.074362 0.005529 -0.000632 29O 2px 0.001574 -0.000135 -0.165413 0.162354 -0.008888 -0.002186 29O 2py 0.000034 0.000027 0.141102 -0.154302 0.021647 0.005495 29O 3pz 0.004911 0.000100 0.045169 -0.045877 0.003910 -0.002219 29O 3px 0.001829 -0.000270 -0.099230 0.099593 -0.006503 -0.002096 29O 3py -0.000894 -0.000311 0.096447 -0.104235 0.016017 0.003785 29O 1dz2 -0.000102 -0.000004 -0.000156 0.000113 0.000012 0.000009 29O 1dxz 0.000106 0.000002 -0.000173 0.000181 -0.000043 -0.000029 29O 1dyz -0.000104 -0.000004 -0.001252 0.001292 -0.000129 -0.000031 29O 1dx2y2 0.000049 0.000002 0.000835 -0.000942 0.000185 0.000043 29O 1dxy -0.000048 -0.000003 0.003172 -0.003251 0.000290 0.000061 29O 2dz2 -0.000362 0.000023 0.001746 -0.002318 0.000417 0.000202 29O 2dxz 0.000401 0.000002 0.000671 -0.000994 0.000060 -0.000081 29O 2dyz -0.000708 0.000017 -0.005331 0.005437 -0.000492 -0.000066 29O 2dx2y2 0.000085 -0.000022 0.005363 -0.005512 0.001024 0.000152 29O 2dxy -0.000286 0.000026 0.011970 -0.011955 0.000942 0.000207 29O 1f0 0.000044 0.000001 0.001245 -0.001250 0.000067 -0.000014 29O 1f+1 0.000057 -0.000001 -0.000516 0.000496 0.000012 -0.000017 29O 1f-1 0.000039 -0.000004 0.001141 -0.001200 0.000149 0.000008 29O 1f+2 -0.000015 -0.000000 -0.000596 0.000642 -0.000033 -0.000001 29O 1f-2 -0.000080 0.000002 0.000406 -0.000432 0.000065 0.000061 29O 1f+3 0.000026 -0.000002 -0.001040 0.001183 -0.000136 -0.000052 29O 1f-3 0.000035 -0.000002 -0.001301 0.001324 -0.000078 -0.000039 30O 1s 0.000260 -0.000117 -0.001149 -0.001847 0.000069 0.000311 30O 2s 0.000663 -0.000281 -0.002732 -0.004398 0.000279 0.000683 30O 3s -0.001855 0.000392 0.003713 0.006190 -0.001788 -0.000312 30O 4s 0.002084 0.001029 0.008149 0.012208 0.002394 -0.002917 30O 5s -0.006055 0.001756 0.013785 0.018194 0.003017 -0.002562 30O 1pz -0.061547 0.070993 0.002248 0.002898 0.026415 -0.020076 30O 1px -0.033245 0.011142 0.003641 -0.025521 -0.052442 0.037738 30O 1py -0.038989 0.046645 -0.004416 0.002533 -0.028131 0.022747 30O 2pz -0.052415 0.059000 0.002154 0.002431 0.021600 -0.016413 30O 2px -0.026818 0.009492 0.003635 -0.019832 -0.043077 0.031188 30O 2py -0.031617 0.039494 -0.003765 0.002404 -0.022353 0.018339 30O 3pz -0.032371 0.035112 -0.007218 -0.003936 0.009304 -0.009050 30O 3px -0.014716 0.005858 0.009515 -0.008173 -0.025425 0.020569 30O 3py -0.014844 0.020421 0.003315 0.004319 -0.010428 0.009719 30O 1dz2 0.001593 -0.001588 -0.000040 0.000158 0.000303 -0.000188 30O 1dxz -0.000724 0.001203 0.000014 0.000272 0.000912 -0.000664 30O 1dyz -0.000429 0.000309 0.000269 0.000100 0.000285 -0.000178 30O 1dx2y2 -0.000305 -0.000459 0.000256 -0.000324 -0.000578 0.000423 30O 1dxy -0.001192 0.001139 0.000002 -0.000164 -0.001032 0.000794 30O 2dz2 0.004036 -0.004016 -0.000407 0.000326 0.000687 -0.000525 30O 2dxz -0.003480 0.004015 -0.000505 0.000265 0.002203 -0.001934 30O 2dyz -0.000401 0.000626 0.000079 -0.000375 -0.000401 0.000413 30O 2dx2y2 -0.000941 -0.001021 0.000790 -0.001118 -0.002489 0.001952 30O 2dxy -0.002420 0.003355 0.000144 0.000158 -0.002048 0.001916 30O 1f0 -0.000165 0.000172 0.000053 -0.000036 -0.000224 0.000231 30O 1f+1 0.000987 -0.001002 -0.000039 0.000036 -0.000015 0.000011 30O 1f-1 0.000970 -0.001019 0.000039 0.000048 -0.000006 0.000012 30O 1f+2 -0.000077 0.000444 0.000025 0.000188 0.000192 -0.000100 30O 1f-2 -0.000029 0.000097 0.000063 0.000114 0.000455 -0.000324 30O 1f+3 -0.000263 0.000528 -0.000136 0.000015 -0.000105 0.000047 30O 1f-3 0.000427 -0.000275 0.000039 0.000180 0.000392 -0.000299 31O 1s -0.000247 -0.000113 -0.001136 0.001803 -0.000109 -0.000191 31O 2s -0.000632 -0.000273 -0.002700 0.004295 -0.000371 -0.000402 31O 3s 0.001811 0.000378 0.003675 -0.006051 0.001897 -0.000022 31O 4s -0.002161 0.001014 0.008049 -0.011908 -0.002125 0.002104 31O 5s 0.005812 0.001623 0.013370 -0.017213 -0.002711 0.001567 31O 1pz -0.062224 -0.070989 -0.002205 0.002807 0.025938 -0.017645 31O 1px -0.033492 -0.011068 -0.003596 -0.025766 -0.050747 0.032867 31O 1py -0.039480 -0.046632 0.004368 0.002682 -0.027297 0.020876 31O 2pz -0.052990 -0.058996 -0.002150 0.002380 0.021212 -0.014419 31O 2px -0.027005 -0.009421 -0.003567 -0.020087 -0.041701 0.027241 31O 2py -0.032010 -0.039468 0.003742 0.002506 -0.021680 0.016852 31O 3pz -0.032711 -0.035107 0.007198 -0.003725 0.009148 -0.007899 31O 3px -0.014769 -0.005824 -0.009302 -0.008711 -0.024617 0.018182 31O 3py -0.015093 -0.020471 -0.003179 0.004062 -0.010064 0.008783 31O 1dz2 -0.001608 -0.001587 -0.000041 -0.000160 -0.000291 0.000157 31O 1dxz 0.000734 0.001204 0.000011 -0.000270 -0.000890 0.000592 31O 1dyz 0.000430 0.000308 0.000267 -0.000090 -0.000274 0.000142 31O 1dx2y2 0.000304 -0.000462 0.000258 0.000331 0.000563 -0.000380 31O 1dxy 0.001205 0.001137 0.000006 0.000160 0.001004 -0.000719 31O 2dz2 -0.004076 -0.004013 -0.000408 -0.000338 -0.000670 0.000464 31O 2dxz 0.003517 0.004013 -0.000492 -0.000294 -0.002152 0.001749 31O 2dyz 0.000409 0.000622 0.000098 0.000352 0.000389 -0.000377 31O 2dx2y2 0.000943 -0.001021 0.000786 0.001139 0.002424 -0.001766 31O 2dxy 0.002449 0.003350 0.000135 -0.000137 0.001986 -0.001746 31O 1f0 -0.000168 -0.000173 -0.000053 -0.000037 -0.000219 0.000215 31O 1f+1 0.000996 0.001001 0.000039 0.000038 -0.000016 0.000006 31O 1f-1 0.000980 0.001018 -0.000039 0.000049 -0.000008 0.000008 31O 1f+2 -0.000082 -0.000445 -0.000026 0.000190 0.000187 -0.000083 31O 1f-2 -0.000029 -0.000097 -0.000066 0.000117 0.000441 -0.000280 31O 1f+3 -0.000267 -0.000527 0.000139 0.000015 -0.000099 0.000032 31O 1f-3 0.000430 0.000274 -0.000040 0.000182 0.000381 -0.000264 32O 1s 0.000066 0.000004 -0.018833 -0.020796 0.002932 0.000785 32O 2s 0.000156 0.000010 -0.045319 -0.050084 0.007101 0.001903 32O 3s -0.000208 -0.000014 0.070924 0.078827 -0.011679 -0.003126 32O 4s -0.000425 -0.000128 0.099780 0.108738 -0.014020 -0.003641 32O 5s -0.000788 0.000527 0.100720 0.116731 -0.019701 -0.006049 32O 1pz 0.006591 -0.000197 -0.082808 -0.084920 0.006412 0.000321 32O 1px 0.001757 0.000196 0.194256 0.196596 -0.011125 -0.005876 32O 1py 0.000350 -0.000095 -0.170477 -0.191143 0.026760 0.006775 32O 2pz 0.005373 -0.000093 -0.069503 -0.071109 0.005154 0.000218 32O 2px 0.001457 0.000169 0.164566 0.166131 -0.008901 -0.004813 32O 2py 0.000349 -0.000092 -0.139234 -0.156518 0.021690 0.005514 32O 3pz 0.004915 -0.000123 -0.041953 -0.043677 0.003634 -0.001576 32O 3px 0.001786 0.000274 0.098714 0.101888 -0.006516 -0.004001 32O 3py -0.000694 0.000278 -0.095072 -0.105633 0.016051 0.003588 32O 1dz2 0.000097 -0.000003 -0.000106 -0.000067 -0.000012 -0.000004 32O 1dxz -0.000107 0.000002 -0.000226 -0.000240 0.000042 0.000026 32O 1dyz 0.000107 -0.000004 -0.001203 -0.001274 0.000127 0.000042 32O 1dx2y2 -0.000054 0.000003 0.000805 0.000936 -0.000186 -0.000032 32O 1dxy 0.000043 -0.000002 0.003148 0.003317 -0.000290 -0.000101 32O 2dz2 0.000325 0.000022 0.001924 0.002560 -0.000425 -0.000170 32O 2dxz -0.000417 0.000000 0.000452 0.000792 -0.000060 0.000074 32O 2dyz 0.000719 0.000014 -0.005026 -0.005249 0.000465 0.000119 32O 2dx2y2 -0.000111 -0.000020 0.005204 0.005503 -0.001028 -0.000115 32O 2dxy 0.000267 0.000028 0.011899 0.012222 -0.000942 -0.000386 32O 1f0 0.000043 -0.000002 -0.001152 -0.001187 0.000059 0.000000 32O 1f+1 0.000058 0.000001 0.000547 0.000543 0.000010 -0.000030 32O 1f-1 0.000042 0.000003 -0.001166 -0.001259 0.000154 0.000012 32O 1f+2 -0.000015 0.000001 0.000652 0.000719 -0.000041 -0.000010 32O 1f-2 -0.000078 -0.000002 -0.000384 -0.000424 0.000064 0.000058 32O 1f+3 0.000022 0.000002 0.000995 0.001166 -0.000132 -0.000054 32O 1f-3 0.000035 0.000002 0.001276 0.001337 -0.000078 -0.000056 33O 1s 0.000403 -0.000096 0.001283 -0.001503 0.000430 0.000471 33O 2s 0.000930 -0.000218 0.003124 -0.003663 0.000944 0.001028 33O 3s -0.000664 0.000175 -0.005460 0.006395 -0.000259 -0.000235 33O 4s -0.005447 0.001109 -0.005448 0.005880 -0.005242 -0.005869 33O 5s 0.002577 0.000135 0.004469 -0.000839 -0.009484 -0.006934 33O 1pz -0.049889 0.041829 0.006461 -0.003431 0.025058 0.037847 33O 1px -0.052716 0.028072 0.003146 0.000080 -0.041256 -0.052079 33O 1py 0.073222 -0.070052 0.006160 -0.001599 -0.000697 0.000697 33O 2pz -0.043027 0.035183 0.005790 -0.003066 0.019380 0.029880 33O 2px -0.043095 0.023361 0.001835 0.000735 -0.033062 -0.042067 33O 2py 0.061048 -0.058492 0.004829 -0.000878 -0.000776 0.000261 33O 3pz -0.025063 0.019601 0.003563 -0.003641 0.007682 0.014983 33O 3px -0.023944 0.013395 -0.004193 0.001140 -0.015927 -0.024957 33O 3py 0.033788 -0.033872 0.004118 -0.003631 -0.001839 -0.002158 33O 1dz2 -0.001757 0.001274 0.000020 0.000081 -0.000120 -0.000149 33O 1dxz 0.000252 -0.000394 -0.000154 0.000123 -0.000963 -0.001284 33O 1dyz 0.001021 -0.001125 -0.000006 0.000074 -0.000084 -0.000188 33O 1dx2y2 0.001019 -0.000441 -0.000003 -0.000112 0.000712 0.000868 33O 1dxy -0.001541 0.001562 -0.000090 -0.000018 -0.000085 -0.000175 33O 2dz2 -0.004213 0.003358 -0.000122 -0.000154 -0.001017 -0.001464 33O 2dxz 0.002244 -0.001757 -0.001164 0.001513 -0.001445 -0.002478 33O 2dyz 0.003093 -0.002941 -0.000144 0.000216 -0.001055 -0.001581 33O 2dx2y2 0.003496 -0.001818 0.001021 -0.000922 0.001755 0.002549 33O 2dxy -0.004229 0.004628 -0.000102 0.000215 0.000288 0.000149 33O 1f0 -0.000984 0.000729 0.000044 0.000040 -0.000156 -0.000193 33O 1f+1 0.001061 -0.000830 0.000056 -0.000091 -0.000151 -0.000236 33O 1f-1 0.000031 -0.000169 0.000222 -0.000074 -0.000084 -0.000005 33O 1f+2 -0.000059 0.000227 -0.000134 0.000002 0.000363 0.000485 33O 1f-2 -0.001027 0.000988 -0.000013 -0.000089 -0.000037 -0.000033 33O 1f+3 0.000267 -0.000082 0.000004 -0.000079 0.000149 0.000231 33O 1f-3 -0.000755 0.000759 0.000037 -0.000034 -0.000069 -0.000103 34O 1s -0.000274 -0.000127 0.001217 0.001744 -0.000137 -0.000096 34O 2s -0.000679 -0.000284 0.002950 0.004236 -0.000233 -0.000280 34O 3s 0.001616 0.000086 -0.004995 -0.007210 -0.000776 0.000966 34O 4s -0.000685 0.002426 -0.005764 -0.007486 0.002044 0.000246 34O 5s 0.004359 0.000693 0.006728 0.001164 0.008217 -0.001034 34O 1pz -0.073244 -0.067745 0.006749 0.001798 0.011722 -0.006955 34O 1px 0.003012 -0.016566 0.001413 0.004263 -0.061485 0.038339 34O 1py -0.031904 -0.046684 -0.011357 -0.001659 0.002388 -0.005948 34O 2pz -0.061665 -0.057067 0.005562 0.001202 0.009557 -0.005627 34O 2px 0.001332 -0.013168 0.002090 0.004173 -0.050466 0.031929 34O 2py -0.026638 -0.039894 -0.009524 -0.000921 0.001748 -0.004782 34O 3pz -0.036090 -0.032408 0.000245 0.001969 0.008666 -0.006887 34O 3px -0.002431 -0.007445 0.005923 0.004650 -0.023722 0.018611 34O 3py -0.012122 -0.021149 -0.005922 -0.005391 -0.005008 0.000914 34O 1dz2 0.000084 0.000234 -0.000110 -0.000102 0.000655 -0.000375 34O 1dxz -0.001985 -0.001766 0.000048 -0.000092 0.000316 -0.000183 34O 1dyz 0.000396 0.000404 0.000097 0.000058 -0.000248 0.000236 34O 1dx2y2 -0.000042 -0.000711 0.000117 0.000212 -0.001332 0.000820 34O 1dxy -0.000642 -0.001181 -0.000129 0.000093 0.000230 -0.000174 34O 2dz2 0.001289 0.001304 -0.000647 -0.000867 0.001164 -0.000738 34O 2dxz -0.005602 -0.005185 -0.000528 -0.000219 0.001487 -0.000948 34O 2dyz 0.000019 0.001081 0.000434 0.000463 -0.001212 0.000956 34O 2dx2y2 -0.000550 -0.001499 0.001694 0.002030 -0.003193 0.002438 34O 2dxy -0.002285 -0.004015 -0.000140 -0.000298 -0.000876 0.000472 34O 1f0 0.000899 0.000765 -0.000099 -0.000005 -0.000160 0.000064 34O 1f+1 0.000038 0.000131 0.000010 -0.000023 0.000370 -0.000270 34O 1f-1 0.000318 0.000391 -0.000015 -0.000063 -0.000061 0.000051 34O 1f+2 -0.000864 -0.000849 -0.000180 -0.000182 0.000038 -0.000069 34O 1f-2 0.000591 0.000582 -0.000183 -0.000054 -0.000173 0.000080 34O 1f+3 0.000276 0.000655 0.000188 -0.000052 0.000476 -0.000282 34O 1f-3 0.000386 0.000665 -0.000019 -0.000124 -0.000234 0.000173 35O 1s 0.000440 -0.000045 -0.000613 -0.001224 0.000292 0.000094 35O 2s 0.001019 -0.000098 -0.001438 -0.002914 0.000769 0.000293 35O 3s -0.000749 -0.000032 0.001682 0.004082 -0.001954 -0.001148 35O 4s -0.006119 0.001185 0.005174 0.008023 -0.000865 -0.000690 35O 5s 0.002098 -0.001141 0.008270 0.011679 0.001201 0.000600 35O 1pz -0.062305 0.042251 -0.004230 0.013137 0.002774 0.000157 35O 1px -0.010310 0.024220 0.000265 -0.017304 -0.039747 -0.055219 35O 1py 0.079928 -0.069148 -0.003552 0.000348 -0.011788 -0.017874 35O 2pz -0.052980 0.035816 -0.004273 0.009933 0.002099 -0.000113 35O 2px -0.010660 0.020814 0.000289 -0.013803 -0.032978 -0.046174 35O 2py 0.066504 -0.058201 -0.003009 0.000263 -0.010090 -0.015278 35O 3pz -0.029407 0.018299 0.000501 0.009321 0.006363 0.006998 35O 3px -0.006468 0.010488 0.009379 -0.003917 -0.016244 -0.026637 35O 3py 0.036247 -0.033319 -0.000220 0.001166 -0.000963 -0.003772 35O 1dz2 -0.000352 0.000128 -0.000048 0.000110 0.000566 0.000828 35O 1dxz -0.001695 0.001153 -0.000170 0.000158 -0.000014 -0.000056 35O 1dyz -0.000588 0.000304 -0.000199 0.000008 0.000132 0.000259 35O 1dx2y2 -0.001025 0.001370 0.000072 -0.000282 -0.000644 -0.000883 35O 1dxy 0.001739 -0.001480 -0.000083 -0.000091 -0.000493 -0.000657 35O 2dz2 0.000700 -0.000188 -0.000169 0.000219 0.001375 0.002457 35O 2dxz -0.004899 0.003217 -0.000462 0.000833 0.000610 0.000719 35O 2dyz -0.001746 0.001361 0.000096 0.000375 0.000897 0.001565 35O 2dx2y2 -0.002988 0.003715 0.000433 -0.000763 -0.001637 -0.002637 35O 2dxy 0.005135 -0.004635 -0.000011 0.000140 -0.000780 -0.001338 35O 1f0 0.000463 -0.000301 0.000040 -0.000036 0.000060 0.000068 35O 1f+1 -0.000333 0.000157 0.000069 0.000162 0.000266 0.000377 35O 1f-1 -0.000618 0.000449 0.000087 0.000119 0.000192 0.000172 35O 1f+2 -0.000884 0.000688 -0.000077 -0.000010 -0.000127 -0.000134 35O 1f-2 -0.000546 0.000322 0.000025 0.000085 0.000000 -0.000048 35O 1f+3 0.001127 -0.001195 -0.000064 0.000082 0.000125 0.000178 35O 1f-3 -0.000557 0.000431 0.000048 0.000121 0.000296 0.000457 90 91 92 93 94 95 -0.38722 -0.38686 -0.38081 -0.36747 -0.36736 -0.35770 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s 0.000490 0.000051 0.000038 -0.000005 0.000011 0.000038 0Rh 2s -0.001894 -0.000180 -0.000145 0.000020 -0.000040 -0.000151 0Rh 3s 0.001661 0.000185 0.000129 -0.000015 0.000039 0.000127 0Rh 4s 0.008055 0.000763 0.000618 -0.000085 0.000167 0.000644 0Rh 5s -0.006393 -0.000478 -0.000570 0.000096 -0.000105 -0.000563 0Rh 6s -0.011884 -0.001580 -0.000637 0.000027 -0.000348 -0.000743 0Rh 7s 0.013436 0.003520 -0.000045 0.000377 -0.000666 -0.000084 0Rh 8s -0.002325 -0.002679 0.001743 0.000623 -0.000142 0.000751 0Rh 1pz -0.000581 0.003242 -0.000038 0.003508 0.001922 0.000010 0Rh 1px -0.001119 0.000816 -0.000002 0.001527 -0.000184 -0.000124 0Rh 1py 0.003076 0.000978 0.000013 -0.001817 0.003773 0.000080 0Rh 2pz 0.001967 -0.010973 0.000127 -0.011849 -0.006498 -0.000034 0Rh 2px 0.003783 -0.002762 0.000004 -0.005160 0.000623 0.000418 0Rh 2py -0.010417 -0.003309 -0.000042 0.006144 -0.012746 -0.000268 0Rh 3pz -0.001598 0.008830 -0.000040 0.009134 0.005109 0.000020 0Rh 3px -0.002966 0.002221 0.000062 0.004014 -0.000518 -0.000290 0Rh 3py 0.008458 0.002638 0.000010 -0.004799 0.009823 0.000164 0Rh 4pz -0.002522 0.014313 -0.000368 0.016435 0.008631 0.000066 0Rh 4px -0.005301 0.003560 -0.000239 0.007063 -0.000748 -0.000700 0Rh 4py 0.013385 0.004365 0.000123 -0.008363 0.017736 0.000518 0Rh 5pz 0.000218 -0.001457 0.000268 -0.000591 0.000288 -0.000049 0Rh 5px 0.001172 -0.000198 0.000398 -0.000141 -0.000266 0.000240 0Rh 5py -0.000889 -0.000371 -0.000072 0.000034 -0.000712 -0.000212 0Rh 6pz -0.000081 -0.010159 -0.001047 -0.028507 -0.017468 0.001448 0Rh 6px 0.003021 -0.001658 -0.000951 -0.013152 0.006415 -0.000723 0Rh 6py -0.016276 -0.005493 -0.000370 0.015484 -0.031308 0.000363 0Rh 1dz2 0.006236 -0.003525 0.027741 -0.001397 0.001915 -0.000267 0Rh 1dxz 0.003732 0.012782 0.013621 -0.009868 -0.003133 -0.000892 0Rh 1dyz -0.002160 0.002546 -0.016260 -0.000068 0.002505 0.000742 0Rh 1dx2y2 -0.013665 -0.001969 0.019620 -0.008080 0.002567 0.001533 0Rh 1dxy 0.009925 0.002547 0.001315 0.003378 -0.010162 0.000582 0Rh 2dz2 -0.000153 0.000097 -0.000648 0.000060 -0.000036 0.000011 0Rh 2dxz -0.000093 -0.000355 -0.000332 0.000239 0.000063 0.000027 0Rh 2dyz 0.000063 -0.000075 0.000382 -0.000015 -0.000056 -0.000018 0Rh 2dx2y2 0.000350 0.000047 -0.000454 0.000195 -0.000059 -0.000041 0Rh 2dxy -0.000269 -0.000075 -0.000024 -0.000058 0.000225 -0.000014 0Rh 3dz2 -0.008995 0.005092 -0.040466 0.001960 -0.002830 0.000374 0Rh 3dxz -0.005404 -0.018397 -0.019847 0.014398 0.004617 0.001284 0Rh 3dyz 0.003167 -0.003607 0.023684 0.000150 -0.003676 -0.001073 0Rh 3dx2y2 0.019753 0.002856 -0.028654 0.011786 -0.003752 -0.002223 0Rh 3dxy -0.014299 -0.003641 -0.001963 -0.005017 0.014901 -0.000848 0Rh 4dz2 -0.012287 0.006825 -0.053841 0.002944 -0.003578 0.000560 0Rh 4dxz -0.007329 -0.025151 -0.026468 0.019173 0.005932 0.001799 0Rh 4dyz 0.004220 -0.005137 0.031661 0.000015 -0.004855 -0.001481 0Rh 4dx2y2 0.026945 0.003940 -0.037987 0.015786 -0.005060 -0.003044 0Rh 4dxy -0.019639 -0.005014 -0.002441 -0.006443 0.019679 -0.001154 0Rh 5dz2 -0.008478 0.006048 -0.041523 0.001771 -0.003051 0.000189 0Rh 5dxz -0.004574 -0.018388 -0.020141 0.013750 0.004767 0.000895 0Rh 5dyz 0.003537 -0.003246 0.023438 0.000232 -0.003433 -0.000989 0Rh 5dx2y2 0.018428 0.001756 -0.029725 0.011142 -0.003331 -0.001762 0Rh 5dxy -0.014450 -0.004004 -0.002476 -0.004900 0.014025 -0.000630 0Rh 1f0 -0.000482 0.000047 -0.000267 -0.002071 0.000841 0.000126 0Rh 1f+1 -0.000028 -0.000345 0.000451 -0.001199 -0.000293 0.000028 0Rh 1f-1 -0.000503 -0.000943 0.000207 0.001026 0.002358 0.000100 0Rh 1f+2 -0.000415 0.000883 0.000257 -0.001586 0.000633 0.000076 0Rh 1f-2 -0.000742 -0.000101 -0.000214 -0.000015 0.001100 0.000045 0Rh 1f+3 0.000435 -0.000348 -0.000513 0.000541 0.000274 -0.000002 0Rh 1f-3 -0.000280 -0.000058 -0.000157 0.000100 -0.001238 -0.000118 1Rh 1s 0.000492 0.000070 0.000039 0.000011 -0.000009 0.000038 1Rh 2s -0.001900 -0.000252 -0.000151 -0.000043 0.000032 -0.000150 1Rh 3s 0.001667 0.000248 0.000135 0.000038 -0.000032 0.000127 1Rh 4s 0.008079 0.001066 0.000642 0.000183 -0.000135 0.000642 1Rh 5s -0.006395 -0.000714 -0.000590 -0.000164 0.000078 -0.000561 1Rh 6s -0.011980 -0.002042 -0.000672 -0.000210 0.000305 -0.000739 1Rh 7s 0.013596 0.003988 -0.000010 -0.000049 0.000685 -0.000085 1Rh 8s -0.002388 -0.002065 0.001801 -0.000703 0.000136 0.000844 1Rh 1pz 0.000585 -0.003223 0.000033 0.003509 0.001920 -0.000010 1Rh 1px 0.001133 -0.000826 -0.000001 0.001522 -0.000180 0.000129 1Rh 1py -0.003047 -0.000973 -0.000003 -0.001818 0.003778 -0.000104 1Rh 2pz -0.001982 0.010909 -0.000110 -0.011855 -0.006490 0.000034 1Rh 2px -0.003829 0.002797 0.000008 -0.005144 0.000611 -0.000436 1Rh 2py 0.010320 0.003293 0.000009 0.006146 -0.012762 0.000350 1Rh 3pz 0.001610 -0.008773 0.000030 0.009137 0.005103 -0.000018 1Rh 3px 0.003003 -0.002265 -0.000072 0.004002 -0.000508 0.000304 1Rh 3py -0.008379 -0.002626 0.000017 -0.004800 0.009835 -0.000226 1Rh 4pz 0.002545 -0.014247 0.000339 0.016449 0.008622 -0.000073 1Rh 4px 0.005361 -0.003554 0.000226 0.007038 -0.000732 0.000723 1Rh 4py -0.013267 -0.004340 -0.000082 -0.008366 0.017760 -0.000637 1Rh 5pz -0.000223 0.001470 -0.000261 -0.000601 0.000287 0.000064 1Rh 5px -0.001173 0.000147 -0.000401 -0.000130 -0.000266 -0.000236 1Rh 5py 0.000898 0.000369 0.000076 0.000036 -0.000718 0.000230 1Rh 6pz 0.000023 0.010292 0.001227 -0.028403 -0.017519 -0.001467 1Rh 6px -0.003125 0.001509 0.000989 -0.013222 0.006421 0.000661 1Rh 6py 0.016388 0.005448 0.000403 0.015546 -0.031320 -0.000223 1Rh 1dz2 0.005875 -0.003824 0.027830 0.001492 -0.001931 -0.000102 1Rh 1dxz 0.003832 0.012575 0.013611 0.009923 0.003109 -0.000851 1Rh 1dyz -0.003261 0.002107 -0.016290 0.000042 -0.002473 0.000681 1Rh 1dx2y2 -0.013882 -0.001728 0.019695 0.008151 -0.002532 0.001649 1Rh 1dxy 0.009424 0.002562 0.001322 -0.003364 0.010176 0.000520 1Rh 2dz2 -0.000147 0.000102 -0.000651 -0.000062 0.000036 0.000006 1Rh 2dxz -0.000095 -0.000350 -0.000331 -0.000240 -0.000062 0.000026 1Rh 2dyz 0.000082 -0.000067 0.000383 0.000015 0.000055 -0.000017 1Rh 2dx2y2 0.000354 0.000042 -0.000456 -0.000196 0.000058 -0.000044 1Rh 2dxy -0.000259 -0.000076 -0.000024 0.000058 -0.000226 -0.000012 1Rh 3dz2 -0.008466 0.005529 -0.040593 -0.002098 0.002854 0.000135 1Rh 3dxz -0.005553 -0.018095 -0.019835 -0.014480 -0.004582 0.001222 1Rh 3dyz 0.004772 -0.002968 0.023728 -0.000110 0.003629 -0.000985 1Rh 3dx2y2 0.020074 0.002502 -0.028762 -0.011891 0.003702 -0.002393 1Rh 3dxy -0.013570 -0.003664 -0.001974 0.004997 -0.014922 -0.000758 1Rh 4dz2 -0.011598 0.007401 -0.054024 -0.003131 0.003609 0.000232 1Rh 4dxz -0.007523 -0.024748 -0.026442 -0.019281 -0.005884 0.001721 1Rh 4dyz 0.006347 -0.004292 0.031720 0.000034 0.004794 -0.001362 1Rh 4dx2y2 0.027365 0.003480 -0.038133 -0.015921 0.004988 -0.003271 1Rh 4dxy -0.018664 -0.005043 -0.002451 0.006416 -0.019706 -0.001031 1Rh 5dz2 -0.007859 0.006553 -0.041622 -0.001896 0.003066 -0.000028 1Rh 5dxz -0.004719 -0.018044 -0.020148 -0.013825 -0.004742 0.000826 1Rh 5dyz 0.005293 -0.002530 0.023485 -0.000163 0.003365 -0.000900 1Rh 5dx2y2 0.018760 0.001319 -0.029829 -0.011270 0.003299 -0.001925 1Rh 5dxy -0.013691 -0.004035 -0.002500 0.004879 -0.014048 -0.000557 1Rh 1f0 0.000502 -0.000016 0.000273 -0.002076 0.000842 -0.000134 1Rh 1f+1 -0.000007 0.000313 -0.000450 -0.001199 -0.000294 -0.000031 1Rh 1f-1 0.000540 0.000945 -0.000210 0.001024 0.002361 -0.000099 1Rh 1f+2 0.000445 -0.000897 -0.000255 -0.001588 0.000634 -0.000080 1Rh 1f-2 0.000657 0.000057 0.000212 -0.000013 0.001100 -0.000046 1Rh 1f+3 -0.000418 0.000316 0.000510 0.000545 0.000275 0.000001 1Rh 1f-3 0.000328 0.000047 0.000153 0.000101 -0.001240 0.000122 2C 1s -0.000140 -0.000498 0.000210 -0.000517 -0.000347 0.000167 2C 2s -0.000295 -0.001065 0.000444 -0.001154 -0.000827 0.000357 2C 3s 0.000156 0.001217 -0.000605 0.001383 0.000837 -0.000489 2C 4s 0.002487 0.005806 -0.002559 0.006957 0.005623 -0.001782 2C 5s -0.000191 0.011167 -0.004943 -0.001053 -0.015788 -0.004055 2C 1pz -0.021933 -0.065432 -0.065444 0.083852 -0.025991 -0.056121 2C 1px 0.056270 0.178921 -0.042728 0.051823 -0.022344 -0.036109 2C 1py 0.008927 0.027522 0.119822 -0.124077 0.089267 0.099473 2C 2pz -0.016589 -0.048912 -0.051438 0.068022 -0.017397 -0.044243 2C 2px 0.044361 0.140623 -0.032984 0.040741 -0.016655 -0.028220 2C 2py 0.007620 0.022774 0.092990 -0.096167 0.072039 0.078520 2C 3pz -0.006122 -0.019293 -0.027293 0.029792 -0.013623 -0.020728 2C 3px 0.019822 0.063668 -0.016696 0.019927 -0.006872 -0.012812 2C 3py 0.002768 0.013033 0.043526 -0.042016 0.028373 0.032661 2C 1dz2 0.000191 0.000679 0.001662 -0.002029 0.002123 0.002233 2C 1dxz -0.001834 -0.005895 0.004572 -0.005434 0.003587 0.004528 2C 1dyz 0.001118 0.003651 -0.000759 0.001914 0.000209 -0.001247 2C 1dx2y2 0.002000 0.006157 0.002092 -0.003060 0.001400 0.002509 2C 1dxy -0.001019 -0.002988 -0.005046 0.005960 -0.003289 -0.004572 2C 2dz2 0.000854 0.002586 0.002668 -0.004010 0.004153 0.004869 2C 2dxz -0.001748 -0.005668 0.003404 -0.004219 0.003262 0.004181 2C 2dyz 0.001072 0.003377 -0.001085 0.003393 0.000841 -0.002184 2C 2dx2y2 0.001088 0.003175 0.002834 -0.004821 0.001807 0.004173 2C 2dxy -0.001105 -0.003472 -0.003646 0.004067 -0.001959 -0.003167 2C 1f0 0.000266 0.000827 0.000644 -0.000987 0.000684 0.001033 2C 1f+1 -0.000018 -0.000085 -0.000208 0.000224 0.000133 -0.000024 2C 1f-1 -0.000035 -0.000157 -0.000004 0.000173 0.000353 0.000035 2C 1f+2 -0.000199 -0.000606 0.000164 -0.000585 0.000049 0.000513 2C 1f-2 -0.000169 -0.000600 0.000324 -0.000381 0.000314 0.000376 2C 1f+3 -0.000035 -0.000081 0.000310 -0.000261 0.000306 0.000264 2C 1f-3 0.000186 0.000615 -0.000244 0.000475 -0.000087 -0.000377 3C 1s 0.000412 -0.000135 -0.000304 -0.000308 0.000638 0.000158 3C 2s 0.000890 -0.000289 -0.000649 -0.000738 0.001420 0.000338 3C 3s -0.001357 0.000378 0.000844 0.000653 -0.001827 -0.000570 3C 4s -0.002123 0.000950 0.002927 0.005963 -0.006664 -0.000520 3C 5s -0.013643 0.003502 0.012830 -0.020983 -0.008659 -0.015831 3C 1pz 0.059979 -0.022049 -0.120994 0.086857 0.126680 0.100525 3C 1px -0.176021 0.063581 -0.025185 0.024490 0.022883 0.021992 3C 1py -0.037148 0.014517 -0.072996 0.029333 0.095104 0.060826 3C 2pz 0.047507 -0.017398 -0.093457 0.069694 0.097980 0.079141 3C 2px -0.137991 0.050014 -0.020108 0.020996 0.017936 0.017929 3C 2py -0.029378 0.011641 -0.057145 0.019873 0.076038 0.047406 3C 3pz 0.019203 -0.007188 -0.044434 0.026270 0.044744 0.032266 3C 3px -0.065925 0.022303 -0.007704 0.006370 0.006173 0.006166 3C 3py -0.011184 0.003796 -0.031410 0.013921 0.036976 0.024505 3C 1dz2 -0.001173 0.000455 -0.001642 0.000636 0.001468 0.000724 3C 1dxz 0.008160 -0.003036 0.002373 -0.001536 -0.003349 -0.002588 3C 1dyz 0.004425 -0.001567 -0.004025 0.002100 0.005653 0.004087 3C 1dx2y2 0.000036 -0.000006 0.004778 -0.004157 -0.005487 -0.004903 3C 1dxy -0.001482 0.000557 0.002768 -0.002455 -0.002816 -0.002526 3C 2dz2 -0.002173 0.000829 0.000934 -0.002027 -0.002721 -0.003223 3C 2dxz 0.007343 -0.002765 0.002459 -0.001368 -0.003944 -0.003206 3C 2dyz 0.004131 -0.001495 -0.003345 0.000760 0.005726 0.004103 3C 2dx2y2 0.000671 -0.000311 0.004110 -0.004911 -0.005069 -0.005587 3C 2dxy -0.003359 0.001312 0.001984 -0.002454 -0.001610 -0.002002 3C 1f0 -0.000196 0.000081 0.000545 -0.000577 -0.000560 -0.000581 3C 1f+1 -0.000737 0.000264 0.000206 -0.000152 -0.000407 -0.000362 3C 1f-1 0.000074 -0.000028 -0.000569 0.000500 0.001056 0.001007 3C 1f+2 0.000154 -0.000076 -0.000026 -0.000148 0.000105 -0.000018 3C 1f-2 0.000132 -0.000038 -0.000088 -0.000064 0.000378 0.000265 3C 1f+3 0.000713 -0.000267 0.000296 0.000134 -0.000441 -0.000163 3C 1f-3 0.001056 -0.000398 0.000004 -0.000321 -0.000025 -0.000240 4C 1s 0.000173 0.000259 -0.000248 -0.000654 -0.001248 -0.000079 4C 2s 0.000386 0.000567 -0.000550 -0.001479 -0.002819 -0.000176 4C 3s -0.000891 -0.001493 0.001115 0.003871 0.007863 0.000561 4C 4s -0.000037 0.000627 0.000827 -0.005609 -0.013129 -0.001352 4C 5s -0.000695 -0.010915 0.004537 -0.002253 0.012202 0.006527 4C 1pz 0.008337 0.023442 0.008042 -0.041914 0.003005 0.037433 4C 1px -0.018068 -0.057545 0.005791 -0.023171 0.008971 0.024103 4C 1py -0.002271 -0.007601 -0.019236 0.050920 -0.045921 -0.064918 4C 2pz 0.006084 0.016002 0.005447 -0.032995 0.005078 0.031139 4C 2px -0.008747 -0.028577 0.003286 -0.017889 0.007250 0.020091 4C 2py -0.000044 -0.001263 -0.013132 0.041883 -0.035635 -0.053130 4C 3pz 0.001974 0.008806 0.000544 -0.010023 -0.006606 0.006378 4C 3px -0.000792 0.000879 0.003281 -0.008793 0.000162 0.007297 4C 3py 0.001299 0.005449 -0.017945 0.020458 -0.020917 -0.020625 4C 1dz2 0.001368 0.004690 0.004204 -0.004725 0.004705 0.004874 4C 1dxz -0.002679 -0.008872 0.002321 -0.002714 0.002982 0.002728 4C 1dyz 0.000170 0.000180 -0.002168 0.003438 -0.000911 -0.002656 4C 1dx2y2 0.000247 -0.000122 0.002920 -0.005553 0.000733 0.003670 4C 1dxy -0.002396 -0.006287 -0.000235 0.000432 -0.000611 -0.000213 4C 2dz2 0.001474 0.005173 0.011143 -0.011682 0.007893 0.009299 4C 2dxz -0.003629 -0.012654 0.006093 -0.006452 0.005691 0.005479 4C 2dyz 0.000236 0.000208 -0.005493 0.005184 -0.004957 -0.004937 4C 2dx2y2 0.001053 0.002113 0.007611 -0.011026 0.002002 0.006893 4C 2dxy -0.003048 -0.008034 -0.001486 0.001654 -0.002861 -0.001477 4C 1f0 -0.000477 -0.001351 -0.001084 0.001522 -0.000409 -0.000975 4C 1f+1 0.000419 0.001151 -0.001266 0.002167 -0.000399 -0.001668 4C 1f-1 -0.000016 -0.000301 0.000074 -0.000262 0.000127 0.000201 4C 1f+2 0.000385 0.001222 -0.000375 -0.000278 -0.000542 0.000179 4C 1f-2 0.000392 0.001370 0.000871 -0.001607 0.001007 0.001723 4C 1f+3 0.000426 0.001683 -0.000836 0.001792 -0.001067 -0.001754 4C 1f-3 0.000178 0.000569 0.001473 -0.001984 0.002011 0.002218 5C 1s -0.000045 0.000170 0.000219 -0.001230 0.000648 -0.000289 5C 2s -0.000080 0.000370 0.000482 -0.002778 0.001470 -0.000641 5C 3s 0.000013 -0.000821 -0.001444 0.008142 -0.003313 0.001966 5C 4s 0.000628 0.000847 0.001813 -0.015071 0.003357 -0.003063 5C 5s 0.012286 -0.002477 -0.009262 0.014554 0.007686 0.011702 5C 1pz -0.019851 0.007603 0.019569 -0.045118 -0.051126 -0.065535 5C 1px 0.055352 -0.020533 0.003827 -0.014085 -0.007774 -0.014386 5C 1py 0.012212 -0.005347 0.008604 -0.004673 -0.047532 -0.040884 5C 2pz -0.009265 0.004168 0.013620 -0.035480 -0.041492 -0.053724 5C 2px 0.025833 -0.010517 0.002005 -0.010065 -0.007179 -0.011632 5C 2py 0.005755 -0.003348 0.004403 -0.005628 -0.036619 -0.033714 5C 3pz -0.004387 0.001448 0.018845 -0.019449 -0.022832 -0.022828 5C 3px 0.000115 0.001124 0.005602 -0.007767 -0.005393 -0.007329 5C 3py 0.007247 -0.002562 0.000018 0.007227 -0.010401 -0.003827 5C 1dz2 -0.002913 0.001272 0.003881 -0.002215 -0.005846 -0.004556 5C 1dxz 0.004528 -0.002096 0.001946 -0.000964 -0.003677 -0.002443 5C 1dyz 0.003927 -0.001364 -0.002445 0.001505 0.003720 0.002812 5C 1dx2y2 0.004746 -0.001682 0.003373 -0.004769 -0.003237 -0.004081 5C 1dxy -0.008313 0.002746 0.000579 -0.001761 0.000067 -0.000606 5C 2dz2 -0.003891 0.001692 0.009302 -0.003343 -0.011635 -0.007709 5C 2dxz 0.006538 -0.003351 0.004829 -0.002527 -0.007070 -0.004543 5C 2dyz 0.005611 -0.002277 -0.007143 0.006735 0.007152 0.006305 5C 2dx2y2 0.005803 -0.002146 0.009577 -0.008802 -0.009150 -0.008503 5C 2dxy -0.010109 0.003652 0.002600 -0.002659 -0.002048 -0.001849 5C 1f0 0.000771 -0.000261 -0.000546 0.001004 0.000690 0.000914 5C 1f+1 -0.000535 0.000158 -0.001577 0.001870 0.002260 0.002397 5C 1f-1 -0.000672 0.000191 0.000516 -0.000101 -0.000082 0.000251 5C 1f+2 -0.001790 0.000624 0.001174 -0.001293 -0.002100 -0.002040 5C 1f-2 0.000287 -0.000025 0.000388 -0.000534 0.000037 -0.000067 5C 1f+3 -0.001595 0.000724 0.000398 0.000443 -0.000742 -0.000283 5C 1f-3 -0.001388 0.000552 -0.001380 0.000660 0.002538 0.001965 6C 1s -0.000048 0.000178 0.000214 0.001221 -0.000656 -0.000284 6C 2s -0.000086 0.000387 0.000472 0.002758 -0.001488 -0.000632 6C 3s 0.000028 -0.000845 -0.001438 -0.008133 0.003322 0.001950 6C 4s 0.000656 0.000740 0.001897 0.015238 -0.003204 -0.003077 6C 5s 0.012801 -0.002530 -0.009153 -0.014461 -0.007530 0.011647 6C 1pz 0.020776 -0.007566 -0.019481 -0.045275 -0.050935 0.065454 6C 1px -0.057872 0.020601 -0.003725 -0.014079 -0.007721 0.014361 6C 1py -0.012846 0.005317 -0.008675 -0.004909 -0.047548 0.041012 6C 2pz 0.009609 -0.004184 -0.013517 -0.035576 -0.041313 0.053638 6C 2px -0.026621 0.010652 -0.001978 -0.010065 -0.007176 0.011649 6C 2py -0.006051 0.003375 -0.004473 -0.005829 -0.036647 0.033827 6C 3pz 0.004639 -0.001442 -0.018723 -0.019433 -0.022720 0.022779 6C 3px -0.000450 -0.001053 -0.005592 -0.007755 -0.005392 0.007359 6C 3py -0.007533 0.002507 -0.000149 0.007013 -0.010454 0.003857 6C 1dz2 -0.003062 0.001277 0.003876 0.002238 0.005833 -0.004569 6C 1dxz 0.004772 -0.002101 0.001956 0.000986 0.003685 -0.002445 6C 1dyz 0.004132 -0.001371 -0.002448 -0.001522 -0.003717 0.002815 6C 1dx2y2 0.004985 -0.001687 0.003355 0.004775 0.003215 -0.004066 6C 1dxy -0.008741 0.002758 0.000591 0.001762 -0.000064 -0.000591 6C 2dz2 -0.004029 0.001703 0.009294 0.003387 0.011607 -0.007723 6C 2dxz 0.006883 -0.003366 0.004890 0.002603 0.007130 -0.004576 6C 2dyz 0.005878 -0.002285 -0.007145 -0.006791 -0.007144 0.006293 6C 2dx2y2 0.006051 -0.002138 0.009548 0.008803 0.009102 -0.008483 6C 2dxy -0.010591 0.003709 0.002605 0.002646 0.002035 -0.001819 6C 1f0 -0.000804 0.000261 0.000544 0.001004 0.000685 -0.000906 6C 1f+1 0.000559 -0.000160 0.001578 0.001882 0.002260 -0.002404 6C 1f-1 0.000720 -0.000191 -0.000518 -0.000102 -0.000082 -0.000253 6C 1f+2 0.001905 -0.000626 -0.001175 -0.001301 -0.002095 0.002037 6C 1f-2 -0.000327 0.000024 -0.000387 -0.000537 0.000037 0.000067 6C 1f+3 0.001703 -0.000728 -0.000399 0.000441 -0.000740 0.000288 6C 1f-3 0.001490 -0.000549 0.001377 0.000668 0.002531 -0.001965 7C 1s 0.000170 0.000244 -0.000248 0.000649 0.001244 -0.000081 7C 2s 0.000379 0.000536 -0.000548 0.001468 0.002811 -0.000180 7C 3s -0.000901 -0.001443 0.001106 -0.003862 -0.007833 0.000555 7C 4s 0.000066 0.000743 0.000781 0.005633 0.013084 -0.001302 7C 5s -0.001633 -0.011659 0.003762 0.001198 -0.011619 0.005710 7C 1pz -0.009357 -0.024208 -0.008146 -0.042095 0.003119 -0.037760 7C 1px 0.020675 0.059417 -0.005687 -0.023114 0.008931 -0.024176 7C 1py 0.002608 0.007680 0.019060 0.050705 -0.045750 0.065068 7C 2pz -0.006669 -0.016396 -0.005589 -0.033196 0.005205 -0.031444 7C 2px 0.009668 0.029341 -0.003207 -0.017828 0.007218 -0.020138 7C 2py 0.000014 0.001166 0.012978 0.041704 -0.035473 0.053251 7C 3pz -0.002577 -0.009241 -0.000907 -0.010889 -0.006197 -0.006949 7C 3px 0.001064 -0.000615 -0.003227 -0.008798 0.000164 -0.007322 7C 3py -0.001608 -0.005736 0.017689 0.019911 -0.020697 0.020396 7C 1dz2 0.001603 0.004844 0.004202 0.004736 -0.004702 0.004901 7C 1dxz -0.003123 -0.009187 0.002290 0.002699 -0.002963 0.002738 7C 1dyz 0.000194 0.000202 -0.002126 -0.003393 0.000883 -0.002620 7C 1dx2y2 0.000245 -0.000116 0.002933 0.005571 -0.000745 0.003710 7C 1dxy -0.002728 -0.006527 -0.000243 -0.000425 0.000608 -0.000222 7C 2dz2 0.001683 0.005347 0.011104 0.011672 -0.007884 0.009341 7C 2dxz -0.004217 -0.013073 0.006018 0.006406 -0.005651 0.005486 7C 2dyz 0.000256 0.000237 -0.005410 -0.005096 0.004907 -0.004874 7C 2dx2y2 0.001168 0.002168 0.007685 0.011135 -0.002077 0.007030 7C 2dxy -0.003409 -0.008269 -0.001506 -0.001648 0.002851 -0.001498 7C 1f0 0.000564 0.001413 0.001084 0.001523 -0.000410 0.000984 7C 1f+1 -0.000504 -0.001216 0.001257 0.002165 -0.000399 0.001675 7C 1f-1 0.000048 0.000325 -0.000058 -0.000247 0.000117 -0.000193 7C 1f+2 -0.000451 -0.001267 0.000366 -0.000286 -0.000537 -0.000189 7C 1f-2 -0.000492 -0.001436 -0.000865 -0.001602 0.001004 -0.001725 7C 1f+3 -0.000520 -0.001752 0.000828 0.001785 -0.001062 0.001761 7C 1f-3 -0.000197 -0.000585 -0.001474 -0.001988 0.002011 -0.002230 8C 1s 0.000444 -0.000138 -0.000298 0.000307 -0.000631 0.000156 8C 2s 0.000960 -0.000295 -0.000635 0.000736 -0.001405 0.000335 8C 3s -0.001457 0.000384 0.000839 -0.000629 0.001826 -0.000578 8C 4s -0.002379 0.001011 0.002786 -0.006086 0.006488 -0.000428 8C 5s -0.013836 0.003388 0.012844 0.020947 0.008746 -0.015990 8C 1pz -0.063589 0.022183 0.120900 0.087321 0.126359 -0.100480 8C 1px 0.186690 -0.063719 0.024907 0.024563 0.022720 -0.021941 8C 1py 0.039554 -0.014493 0.073025 0.029813 0.095061 -0.061002 8C 2pz -0.050318 0.017456 0.093421 0.070104 0.097775 -0.079131 8C 2px 0.146373 -0.050125 0.019906 0.021073 0.017827 -0.017888 8C 2py 0.031243 -0.011584 0.057134 0.020193 0.075964 -0.047534 8C 3pz -0.020533 0.007307 0.044361 0.026431 0.044592 -0.032213 8C 3px 0.069832 -0.022351 0.007551 0.006428 0.006031 -0.006130 8C 3py 0.011968 -0.003772 0.031347 0.014039 0.036889 -0.024562 8C 1dz2 -0.001122 0.000412 -0.001639 -0.000640 -0.001462 0.000723 8C 1dxz 0.008616 -0.003028 0.002475 0.001626 0.003474 -0.002691 8C 1dyz 0.004757 -0.001599 -0.003983 -0.002092 -0.005592 0.004050 8C 1dx2y2 -0.000041 0.000022 0.004723 0.004144 0.005417 -0.004857 8C 1dxy -0.001637 0.000584 0.002813 0.002497 0.002863 -0.002565 8C 2dz2 -0.002186 0.000794 0.000946 0.002049 0.002722 -0.003228 8C 2dxz 0.007724 -0.002751 0.002523 0.001426 0.004015 -0.003275 8C 2dyz 0.004417 -0.001531 -0.003321 -0.000755 -0.005682 0.004086 8C 2dx2y2 0.000683 -0.000310 0.004093 0.004933 0.005045 -0.005572 8C 2dxy -0.003578 0.001323 0.002021 0.002491 0.001645 -0.002028 8C 1f0 0.000219 -0.000085 -0.000546 -0.000581 -0.000560 0.000582 8C 1f+1 0.000776 -0.000264 -0.000199 -0.000146 -0.000397 0.000353 8C 1f-1 -0.000083 0.000031 0.000572 0.000507 0.001057 -0.001011 8C 1f+2 -0.000156 0.000075 0.000034 -0.000144 0.000113 0.000011 8C 1f-2 -0.000134 0.000037 0.000086 -0.000064 0.000373 -0.000262 8C 1f+3 -0.000736 0.000261 -0.000298 0.000132 -0.000444 0.000167 8C 1f-3 -0.001125 0.000403 -0.000013 -0.000327 -0.000037 0.000248 9C 1s -0.000175 -0.000527 0.000190 0.000498 0.000356 0.000153 9C 2s -0.000368 -0.001125 0.000401 0.001113 0.000849 0.000326 9C 3s 0.000236 0.001267 -0.000537 -0.001327 -0.000868 -0.000438 9C 4s 0.002863 0.006119 -0.002385 -0.006758 -0.005716 -0.001684 9C 5s 0.000755 0.011920 -0.004390 0.002246 0.015206 -0.003181 9C 1pz 0.025631 0.068044 0.065946 0.084396 -0.026416 0.056788 9C 1px -0.066924 -0.186400 0.042273 0.051675 -0.022253 0.036223 9C 1py -0.010513 -0.028509 -0.119175 -0.123594 0.089049 -0.099678 9C 2pz 0.019365 0.050908 0.051746 0.068357 -0.017693 0.044717 9C 2px -0.052714 -0.146451 0.032647 0.040658 -0.016598 0.028328 9C 2py -0.008915 -0.023486 -0.092591 -0.095894 0.071945 -0.078758 9C 3pz 0.007177 0.020075 0.027299 0.029638 -0.013643 0.020733 9C 3px -0.023740 -0.066483 0.016416 0.019654 -0.006734 0.012730 9C 3py -0.003510 -0.013525 -0.043290 -0.041946 0.028365 -0.032775 9C 1dz2 0.000241 0.000734 0.001611 0.001980 -0.002086 0.002206 9C 1dxz -0.002232 -0.006296 0.004507 0.005384 -0.003548 0.004512 9C 1dyz 0.001331 0.003778 -0.000613 -0.001747 -0.000312 -0.001115 9C 1dx2y2 0.002353 0.006382 0.002319 0.003322 -0.001549 0.002725 9C 1dxy -0.001090 -0.002839 -0.005012 -0.005928 0.003267 -0.004568 9C 2dz2 0.000980 0.002640 0.002678 0.004034 -0.004149 0.004905 9C 2dxz -0.002104 -0.006031 0.003357 0.004196 -0.003224 0.004171 9C 2dyz 0.001254 0.003469 -0.000945 -0.003244 -0.000937 -0.002067 9C 2dx2y2 0.001272 0.003327 0.002965 0.004969 -0.001892 0.004320 9C 2dxy -0.001231 -0.003437 -0.003575 -0.003992 0.001913 -0.003117 9C 1f0 -0.000306 -0.000846 -0.000654 -0.001003 0.000689 -0.001049 9C 1f+1 0.000011 0.000062 0.000197 0.000211 0.000138 0.000014 9C 1f-1 0.000040 0.000155 0.000010 0.000176 0.000351 -0.000034 9C 1f+2 0.000233 0.000627 -0.000152 -0.000571 0.000041 -0.000504 9C 1f-2 0.000204 0.000633 -0.000314 -0.000374 0.000310 -0.000373 9C 1f+3 0.000052 0.000124 -0.000322 -0.000276 0.000313 -0.000276 9C 1f-3 -0.000226 -0.000653 0.000224 0.000457 -0.000069 0.000361 10H 1s 0.032071 0.100825 -0.012834 0.012891 -0.011269 -0.010897 10H 2s 0.045244 0.142754 -0.019306 0.019605 -0.016844 -0.016467 10H 3s 0.018171 0.053683 -0.006939 0.006906 -0.007465 -0.007100 10H 1pz 0.001777 0.005730 -0.003377 0.003866 -0.001806 -0.002721 10H 1px -0.001990 -0.006339 0.000301 0.000018 0.000719 0.000191 10H 1py 0.001129 0.003584 0.003845 -0.004010 0.002791 0.003213 11H 1s -0.010400 -0.034895 0.069587 -0.081724 0.042689 0.061248 11H 2s -0.014953 -0.049622 0.101136 -0.120513 0.063466 0.090803 11H 3s -0.003816 -0.018347 0.034357 -0.046314 0.026029 0.038440 11H 1pz -0.001750 -0.005524 0.004206 -0.004313 0.002801 0.003154 11H 1px 0.000926 0.002889 0.005516 -0.006138 0.003421 0.004545 11H 1py 0.001071 0.003406 -0.000553 0.001248 0.000199 -0.000683 12H 1s -0.020330 -0.063315 -0.058288 0.062874 -0.042776 -0.050619 12H 2s -0.028749 -0.089877 -0.083746 0.091501 -0.061935 -0.073680 12H 3s -0.011239 -0.032269 -0.030796 0.039431 -0.024334 -0.032850 12H 1pz -0.000098 -0.000121 -0.000384 0.000760 0.000594 -0.000119 12H 1px 0.000664 0.002156 -0.005284 0.005752 -0.003426 -0.004325 12H 1py -0.002383 -0.007450 -0.003584 0.003606 -0.002378 -0.002680 13H 1s -0.096156 0.035135 0.021175 -0.016693 -0.020961 -0.017782 13H 2s -0.134259 0.048966 0.031159 -0.024558 -0.031003 -0.026164 13H 3s -0.049107 0.019482 0.009275 -0.008495 -0.010266 -0.009890 13H 1pz -0.007120 0.002566 -0.002008 0.001291 0.002345 0.001791 13H 1px 0.003348 -0.001215 -0.003052 0.002523 0.002894 0.002504 13H 1py 0.003542 -0.001272 -0.003638 0.001785 0.004224 0.002831 14H 1s 0.071163 -0.025840 0.052649 -0.038876 -0.057185 -0.046143 14H 2s 0.100286 -0.036255 0.075637 -0.056137 -0.083273 -0.067174 14H 3s 0.036892 -0.014634 0.026730 -0.023139 -0.033359 -0.028623 14H 1pz 0.007383 -0.002670 -0.000324 0.000250 0.000454 0.000422 14H 1px 0.003045 -0.001086 0.005926 -0.003944 -0.006325 -0.004784 14H 1py 0.000419 -0.000092 -0.001381 0.000090 0.001903 0.000904 15H 1s 0.024305 -0.008463 -0.072431 0.043983 0.085292 0.062969 15H 2s 0.034380 -0.012107 -0.105704 0.065722 0.126317 0.093845 15H 3s 0.013984 -0.004120 -0.036204 0.028226 0.047669 0.040481 15H 1pz -0.000205 0.000053 0.002860 -0.001218 -0.003874 -0.002517 15H 1px -0.005629 0.002019 -0.003112 0.002135 0.003260 0.002504 15H 1py -0.004158 0.001517 0.005842 -0.003807 -0.006091 -0.004485 16H 1s -0.003946 -0.005296 -0.000272 -0.000056 -0.000626 -0.000292 16H 2s -0.003828 -0.006602 -0.001010 0.001165 0.001912 -0.000588 16H 3s -0.001747 0.002817 -0.000534 -0.000482 -0.000998 -0.000066 16H 1pz -0.000133 -0.000397 0.000002 0.000002 0.000341 -0.000039 16H 1px -0.001771 -0.000950 0.000015 0.000013 -0.000016 0.000035 16H 1py -0.000357 -0.000742 -0.000174 0.000263 -0.000055 0.000057 17H 1s -0.006839 0.001983 -0.000236 0.000688 -0.000101 -0.000325 17H 2s -0.007765 0.003481 -0.001771 -0.001148 0.001481 -0.000624 17H 3s 0.000618 -0.002373 -0.000862 0.001262 -0.000494 -0.000017 17H 1pz 0.001416 0.000141 -0.000016 0.000034 -0.000242 0.000090 17H 1px -0.001351 -0.000511 0.000128 0.000118 -0.000180 0.000089 17H 1py -0.000933 0.000217 -0.000164 -0.000118 -0.000056 0.000056 18H 1s -0.006806 0.002409 -0.000196 -0.000690 0.000083 -0.000331 18H 2s -0.007797 0.004007 -0.001801 0.001157 -0.001442 -0.000636 18H 3s 0.000446 -0.002329 -0.000917 -0.001302 0.000469 -0.000045 18H 1pz -0.001436 -0.000063 0.000015 0.000034 -0.000240 -0.000090 18H 1px 0.001348 0.000488 -0.000145 0.000120 -0.000175 -0.000089 18H 1py 0.000891 -0.000207 0.000162 -0.000109 -0.000061 -0.000055 19H 1s -0.004163 -0.004955 -0.000266 0.000035 0.000621 -0.000290 19H 2s -0.004014 -0.006125 -0.000897 -0.001104 -0.001947 -0.000592 19H 3s -0.001603 0.002972 -0.000455 0.000499 0.001018 -0.000076 19H 1pz 0.000148 0.000355 -0.000016 -0.000006 0.000343 0.000044 19H 1px 0.001806 0.000892 -0.000007 0.000022 -0.000016 -0.000034 19H 1py 0.000390 0.000783 0.000176 0.000268 -0.000050 -0.000051 20H 1s 0.026481 -0.008801 -0.072289 -0.044245 -0.084999 0.062891 20H 2s 0.037422 -0.012573 -0.105482 -0.066090 -0.125861 0.093707 20H 3s 0.015040 -0.004230 -0.036215 -0.028441 -0.047592 0.040501 20H 1pz 0.000293 -0.000083 -0.002855 -0.001230 -0.003864 0.002516 20H 1px 0.005917 -0.002004 0.003178 0.002193 0.003337 -0.002567 20H 1py 0.004481 -0.001550 -0.005798 -0.003802 -0.006029 0.004448 21H 1s 0.074956 -0.025686 0.052899 0.039353 0.057479 -0.046476 21H 2s 0.105651 -0.036026 0.076013 0.056847 0.083721 -0.067674 21H 3s 0.038813 -0.014559 0.026883 0.023384 0.033561 -0.028803 21H 1pz -0.007850 0.002683 0.000260 0.000202 0.000378 -0.000364 21H 1px -0.003126 0.001046 -0.005941 -0.003982 -0.006338 0.004804 21H 1py -0.000452 0.000098 0.001362 0.000083 0.001878 -0.000888 22H 1s -0.102176 0.035298 0.020714 0.016408 0.020310 -0.017298 22H 2s -0.142777 0.049230 0.030460 0.024127 0.030018 -0.025428 22H 3s -0.052195 0.019547 0.009011 0.008336 0.009833 -0.009571 22H 1pz 0.007514 -0.002558 0.002067 0.001346 0.002411 -0.001847 22H 1px -0.003626 0.001244 0.003000 0.002501 0.002828 -0.002458 22H 1py -0.003825 0.001303 0.003624 0.001797 0.004200 -0.002824 23H 1s -0.023651 -0.064784 -0.058882 -0.063622 0.043192 -0.051452 23H 2s -0.033519 -0.092060 -0.084609 -0.092629 0.062557 -0.074932 23H 3s -0.012940 -0.032971 -0.031150 -0.039928 0.024588 -0.033466 23H 1pz 0.000096 0.000114 0.000348 0.000718 0.000618 0.000086 23H 1px -0.000860 -0.002437 0.005188 0.005672 -0.003365 0.004283 23H 1py 0.002800 0.007689 0.003728 0.003765 -0.002470 0.002811 24H 1s -0.013022 -0.037758 0.068930 0.081220 -0.042356 0.061160 24H 2s -0.018714 -0.053679 0.100201 0.119757 -0.062985 0.090677 24H 3s -0.005146 -0.019849 0.034114 0.046147 -0.025848 0.038425 24H 1pz 0.002120 0.005865 -0.004092 -0.004206 0.002734 -0.003092 24H 1px -0.001019 -0.002813 -0.005573 -0.006214 0.003457 -0.004623 24H 1py -0.001297 -0.003597 0.000433 0.001117 0.000273 0.000588 25H 1s 0.038077 0.105205 -0.011555 -0.011651 0.010504 -0.010021 25H 2s 0.053753 0.148898 -0.017435 -0.017771 0.015732 -0.015179 25H 3s 0.021190 0.055818 -0.006348 -0.006323 0.007086 -0.006639 25H 1pz -0.002151 -0.006051 0.003290 0.003790 -0.001767 0.002681 25H 1px 0.002365 0.006599 -0.000147 0.000174 0.000623 -0.000076 25H 1py -0.001288 -0.003585 -0.003871 -0.004036 0.002815 -0.003249 26O 1s -0.000640 -0.002014 -0.000006 0.001082 0.001621 0.000030 26O 2s -0.001499 -0.004727 -0.000005 0.002615 0.003945 0.000078 26O 3s 0.001885 0.006069 -0.000164 -0.004388 -0.007098 -0.000182 26O 4s 0.003870 0.011562 0.000959 -0.005344 -0.005418 0.000251 26O 5s 0.004443 0.017645 0.001501 -0.005246 -0.005306 0.000043 26O 1pz -0.001214 -0.011742 0.035547 -0.055532 0.043766 0.055094 26O 1px 0.029273 0.082898 0.022794 -0.035466 0.027424 0.033940 26O 1py 0.000800 0.024873 -0.054264 0.103942 -0.045531 -0.087972 26O 2pz -0.000626 -0.009208 0.029259 -0.046905 0.035969 0.046163 26O 2px 0.023961 0.067456 0.018490 -0.030265 0.021457 0.028456 26O 2py 0.000701 0.020716 -0.045448 0.087400 -0.039588 -0.074410 26O 3pz -0.001890 -0.009208 0.020718 -0.031186 0.022771 0.030746 26O 3px 0.014239 0.038609 0.011505 -0.022094 0.005936 0.018015 26O 3py -0.001396 0.009580 -0.029098 0.052221 -0.026752 -0.045477 26O 1dz2 0.000299 0.000952 0.000435 -0.000069 0.000389 0.000061 26O 1dxz -0.000033 -0.000029 -0.000347 0.001021 -0.000580 -0.001053 26O 1dyz -0.000038 0.000027 -0.000360 0.000538 -0.000123 -0.000369 26O 1dx2y2 -0.000394 -0.001234 -0.000434 0.001123 -0.001014 -0.001328 26O 1dxy -0.000275 -0.001017 0.000752 -0.001668 0.000677 0.001488 26O 2dz2 0.000933 0.002739 0.001797 -0.001902 0.001016 0.000989 26O 2dxz 0.000327 0.001057 -0.000523 0.002020 -0.001397 -0.002486 26O 2dyz 0.000403 0.001901 -0.001475 0.002171 -0.001560 -0.001775 26O 2dx2y2 -0.000915 -0.003185 -0.000441 0.002319 -0.001569 -0.003042 26O 2dxy -0.000367 -0.001576 0.002186 -0.004821 0.002415 0.004377 26O 1f0 -0.000073 -0.000160 0.000030 0.000191 -0.000105 -0.000272 26O 1f+1 -0.000167 -0.000542 0.000024 -0.000073 -0.000024 0.000045 26O 1f-1 -0.000128 -0.000377 0.000236 -0.000490 0.000177 0.000432 26O 1f+2 0.000158 0.000252 0.000338 -0.000625 0.000354 0.000591 26O 1f-2 0.000008 0.000071 0.000246 -0.000420 0.000200 0.000373 26O 1f+3 -0.000133 -0.000180 -0.000508 0.001117 -0.000686 -0.001152 26O 1f-3 -0.000215 -0.000645 0.000188 -0.000472 0.000252 0.000476 27O 1s 0.001814 -0.000833 -0.000065 0.001541 -0.001158 -0.000032 27O 2s 0.004231 -0.001955 -0.000172 0.003755 -0.002795 -0.000067 27O 3s -0.005084 0.002475 0.000480 -0.006832 0.004613 -0.000073 27O 4s -0.011652 0.005283 -0.000527 -0.004850 0.005793 0.000886 27O 5s -0.016938 0.007617 -0.001887 -0.005599 0.007608 0.003124 27O 1pz 0.016443 -0.012832 0.053812 -0.056545 -0.093949 -0.086515 27O 1px -0.084621 0.030073 0.009306 -0.002448 -0.020413 -0.013985 27O 1py -0.000709 -0.004027 0.039456 -0.054497 -0.056352 -0.062295 27O 2pz 0.013124 -0.010530 0.044826 -0.048102 -0.079086 -0.073057 27O 2px -0.068841 0.024104 0.008258 -0.004078 -0.017079 -0.012610 27O 2py -0.000833 -0.003378 0.032452 -0.044693 -0.047617 -0.052137 27O 3pz 0.010145 -0.007328 0.028133 -0.029068 -0.047798 -0.044639 27O 3px -0.037449 0.014296 0.005308 -0.009778 -0.007217 -0.008255 27O 3py -0.003582 -0.001988 0.023147 -0.028148 -0.031476 -0.034204 27O 1dz2 -0.000904 0.000306 0.000512 -0.000134 -0.000523 -0.000300 27O 1dxz -0.000367 0.000154 -0.000698 0.001171 0.001618 0.001751 27O 1dyz 0.000095 -0.000019 -0.000050 -0.000271 -0.000135 -0.000308 27O 1dx2y2 0.001598 -0.000571 0.000011 -0.000156 0.000673 0.000476 27O 1dxy -0.000367 0.000190 -0.000536 0.000775 0.001123 0.001177 27O 2dz2 -0.001438 0.000288 0.002338 -0.001792 -0.003044 -0.002160 27O 2dxz -0.001865 0.000644 -0.001619 0.002656 0.004330 0.004711 27O 2dyz 0.001529 -0.000524 -0.000415 0.000205 -0.000185 -0.000645 27O 2dx2y2 0.004041 -0.001490 0.000687 -0.000095 0.000412 0.000759 27O 2dxy 0.001062 -0.000274 -0.001365 0.002320 0.003025 0.003250 27O 1f0 -0.000159 0.000105 -0.000285 0.000506 0.000643 0.000722 27O 1f+1 0.000507 -0.000219 -0.000089 0.000089 0.000241 0.000208 27O 1f-1 -0.000114 0.000068 -0.000323 0.000295 0.000402 0.000362 27O 1f+2 -0.000022 -0.000030 0.000448 -0.000555 -0.000856 -0.000903 27O 1f-2 -0.000175 0.000126 -0.000250 0.000375 0.000456 0.000497 27O 1f+3 0.000580 -0.000178 -0.000230 0.000264 0.000528 0.000538 27O 1f-3 -0.000398 0.000181 -0.000257 0.000385 0.000639 0.000677 28O 1s 0.000720 0.002086 0.000083 0.001083 0.001631 -0.000075 28O 2s 0.001675 0.004846 0.000196 0.002630 0.003957 -0.000185 28O 3s -0.001860 -0.005352 -0.000263 -0.004613 -0.006943 0.000324 28O 4s -0.005852 -0.016222 -0.000618 -0.004170 -0.006004 0.000330 28O 5s -0.005488 -0.021702 0.001329 -0.006592 -0.007572 0.001571 28O 1pz -0.018966 -0.048095 0.031629 -0.039827 0.043008 0.049279 28O 1px 0.023690 0.080071 0.018223 -0.026977 0.017969 0.028749 28O 1py 0.005362 0.000483 -0.047185 0.077248 -0.041468 -0.078039 28O 2pz -0.015079 -0.037505 0.026261 -0.034455 0.034751 0.041521 28O 2px 0.018821 0.063671 0.015321 -0.022552 0.016156 0.024481 28O 2py 0.004650 0.000456 -0.040036 0.065746 -0.036166 -0.066454 28O 3pz -0.007471 -0.021521 0.018079 -0.023178 0.018184 0.025785 28O 3px 0.009580 0.035122 0.010110 -0.010304 0.015176 0.015393 28O 3py 0.003648 -0.000056 -0.023599 0.037213 -0.020800 -0.039660 28O 1dz2 -0.000063 -0.000111 -0.000066 0.000878 -0.000432 -0.000971 28O 1dxz -0.000565 -0.001706 0.000396 -0.000284 0.000637 0.000473 28O 1dyz -0.000019 0.000041 0.000249 -0.000753 0.000628 0.000918 28O 1dx2y2 0.000400 0.001239 0.000472 -0.000609 0.000092 0.000466 28O 1dxy -0.000004 -0.000110 -0.000624 0.001334 -0.000752 -0.001404 28O 2dz2 -0.000755 -0.001850 0.000537 0.000964 -0.000902 -0.001890 28O 2dxz -0.001058 -0.002936 0.001675 -0.002177 0.001679 0.002012 28O 2dyz -0.000719 -0.002158 0.000344 -0.001966 0.000757 0.002256 28O 2dx2y2 0.000972 0.003246 0.001916 -0.002464 0.001603 0.002135 28O 2dxy 0.000111 0.000193 -0.001935 0.004085 -0.002573 -0.004315 28O 1f0 0.000010 0.000257 0.000261 -0.000363 0.000246 0.000471 28O 1f+1 0.000145 0.000385 -0.000267 0.000659 -0.000407 -0.000749 28O 1f-1 -0.000006 0.000055 0.000026 0.000026 -0.000101 -0.000103 28O 1f+2 -0.000191 -0.000656 0.000165 -0.000133 0.000169 0.000168 28O 1f-2 -0.000003 0.000150 0.000410 -0.000782 0.000495 0.000878 28O 1f+3 -0.000098 -0.000241 -0.000097 0.000170 -0.000078 -0.000128 28O 1f-3 0.000022 0.000171 0.000307 -0.000681 0.000439 0.000753 29O 1s -0.001127 -0.000262 -0.000084 0.000090 -0.000049 -0.000150 29O 2s -0.002711 -0.000625 -0.000206 0.000219 -0.000111 -0.000364 29O 3s 0.004254 0.000931 0.000352 -0.000395 0.000138 0.000611 29O 4s 0.005746 0.001579 0.000102 -0.000348 0.000902 0.000581 29O 5s 0.006393 0.000748 0.002766 -0.000315 -0.004102 0.001562 29O 1pz 0.009601 0.014328 0.000706 0.000293 0.001522 0.000019 29O 1px -0.037552 -0.009512 -0.001482 0.002353 -0.002025 0.000274 29O 1py 0.001207 -0.002099 -0.000111 -0.000165 -0.000282 0.002204 29O 2pz 0.008155 0.011344 0.000626 0.000107 0.001338 0.000040 29O 2px -0.031180 -0.008090 -0.001212 0.002000 -0.002125 0.000323 29O 2py 0.000808 -0.001754 -0.000200 0.000057 -0.000560 0.001792 29O 3pz 0.006432 0.007383 0.000727 0.003186 0.002139 -0.000054 29O 3px -0.022967 -0.006410 -0.000260 0.002575 -0.000509 -0.000117 29O 3py -0.000787 -0.001451 -0.001029 -0.001400 0.003495 0.001164 29O 1dz2 0.000017 -0.000199 -0.000016 -0.000006 -0.000009 0.000005 29O 1dxz -0.000027 0.000212 -0.000009 0.000013 0.000025 -0.000004 29O 1dyz -0.000064 -0.000256 0.000003 0.000026 -0.000010 -0.000004 29O 1dx2y2 -0.000151 0.000013 -0.000004 0.000018 -0.000014 0.000013 29O 1dxy 0.000489 0.000050 0.000030 -0.000022 0.000026 0.000011 29O 2dz2 -0.000118 -0.000674 -0.000180 -0.000072 -0.000208 0.000049 29O 2dxz -0.000076 0.000642 -0.000006 0.000135 -0.000009 0.000022 29O 2dyz -0.000546 -0.000744 0.000020 -0.000369 -0.000186 -0.000039 29O 2dx2y2 -0.000386 0.000037 -0.000218 0.000070 0.000025 0.000080 29O 2dxy 0.002249 0.000503 -0.000006 -0.000253 0.000094 0.000014 29O 1f0 0.000175 0.000134 -0.000029 0.000006 0.000048 -0.000003 29O 1f+1 -0.000181 0.000050 0.000028 0.000010 -0.000010 0.000004 29O 1f-1 0.000027 0.000047 0.000003 0.000008 0.000046 0.000011 29O 1f+2 -0.000081 -0.000065 0.000010 0.000008 -0.000019 -0.000004 29O 1f-2 0.000020 -0.000097 -0.000035 -0.000024 -0.000004 0.000003 29O 1f+3 -0.000059 0.000036 -0.000023 0.000018 -0.000018 -0.000014 29O 1f-3 -0.000199 -0.000027 -0.000013 0.000033 -0.000031 -0.000001 30O 1s -0.001920 0.000703 0.000148 0.001565 -0.001130 0.000171 30O 2s -0.004472 0.001638 0.000331 0.003820 -0.002721 0.000435 30O 3s 0.005224 -0.001902 -0.000112 -0.007068 0.004400 -0.001025 30O 4s 0.013509 -0.004900 -0.002640 -0.004204 0.006232 0.000609 30O 5s 0.016594 -0.008857 -0.004144 -0.005817 0.006455 0.000512 30O 1pz 0.036572 -0.008108 0.047419 -0.032191 -0.088090 -0.078247 30O 1px -0.076563 0.028113 0.010944 -0.007262 -0.017269 -0.014082 30O 1py -0.031967 0.017353 0.037646 -0.041480 -0.052657 -0.057869 30O 2pz 0.029613 -0.006057 0.040712 -0.029070 -0.074961 -0.066953 30O 2px -0.061864 0.022619 0.008518 -0.005024 -0.014581 -0.011568 30O 2py -0.025247 0.013692 0.030812 -0.033318 -0.044795 -0.048478 30O 3pz 0.016762 -0.002745 0.024718 -0.019420 -0.041488 -0.040017 30O 3px -0.036469 0.011909 0.003691 0.003043 -0.011555 -0.005921 30O 3py -0.016132 0.009132 0.020975 -0.017455 -0.031003 -0.030949 30O 1dz2 0.000469 -0.000184 -0.000263 0.000730 0.001167 0.001316 30O 1dxz 0.001153 -0.000415 0.000660 -0.000329 -0.001331 -0.001118 30O 1dyz 0.000577 -0.000230 -0.000158 -0.000055 -0.000104 -0.000177 30O 1dx2y2 -0.000695 0.000273 0.000169 -0.000073 0.000283 0.000244 30O 1dxy -0.001184 0.000497 0.000595 -0.000891 -0.000904 -0.001107 30O 2dz2 0.000840 -0.000188 -0.000008 0.001423 0.002170 0.002975 30O 2dxz 0.002784 -0.000870 0.002639 -0.002370 -0.004688 -0.004118 30O 2dyz -0.000601 0.000268 -0.000427 0.000381 -0.000018 -0.000238 30O 2dx2y2 -0.003001 0.001230 0.001126 -0.000102 -0.000740 -0.000024 30O 2dxy -0.002601 0.001008 0.001532 -0.001719 -0.003039 -0.003086 30O 1f0 -0.000279 0.000137 0.000065 -0.000006 -0.000113 -0.000122 30O 1f+1 -0.000053 -0.000031 -0.000367 0.000507 0.000894 0.000958 30O 1f-1 -0.000048 -0.000041 -0.000466 0.000381 0.000795 0.000807 30O 1f+2 0.000238 -0.000053 0.000250 -0.000187 -0.000494 -0.000454 30O 1f-2 0.000667 -0.000211 -0.000010 -0.000004 -0.000095 -0.000106 30O 1f+3 -0.000220 0.000095 0.000066 -0.000161 -0.000318 -0.000371 30O 1f-3 0.000524 -0.000163 -0.000170 0.000276 0.000352 0.000377 31O 1s -0.001936 0.000694 0.000146 -0.001558 0.001126 0.000172 31O 2s -0.004504 0.001615 0.000327 -0.003802 0.002712 0.000436 31O 3s 0.005204 -0.001857 -0.000111 0.007034 -0.004396 -0.001017 31O 4s 0.013725 -0.004877 -0.002592 0.004196 -0.006147 0.000549 31O 5s 0.016804 -0.008871 -0.004120 0.005769 -0.006485 0.000533 31O 1pz -0.038469 0.008139 -0.047226 -0.032524 -0.087880 0.078514 31O 1px 0.079753 -0.028138 -0.010967 -0.007372 -0.017273 0.014134 31O 1py 0.033905 -0.017351 -0.037465 -0.041599 -0.052363 0.057879 31O 2pz -0.031151 0.006076 -0.040541 -0.029352 -0.074784 0.067172 31O 2px 0.064496 -0.022633 -0.008546 -0.005120 -0.014595 0.011625 31O 2py 0.026790 -0.013681 -0.030673 -0.033426 -0.044562 0.048505 31O 3pz -0.017615 0.002705 -0.024628 -0.019573 -0.041369 0.040150 31O 3px 0.038168 -0.011841 -0.003740 0.002969 -0.011574 0.006001 31O 3py 0.017002 -0.009119 -0.020874 -0.017521 -0.030830 0.030965 31O 1dz2 0.000484 -0.000184 -0.000262 -0.000733 -0.001163 0.001315 31O 1dxz 0.001213 -0.000416 0.000658 0.000333 0.001329 -0.001122 31O 1dyz 0.000593 -0.000232 -0.000159 0.000054 0.000104 -0.000176 31O 1dx2y2 -0.000732 0.000274 0.000168 0.000073 -0.000282 0.000243 31O 1dxy -0.001251 0.000496 0.000592 0.000894 0.000900 -0.001106 31O 2dz2 0.000881 -0.000185 -0.000005 -0.001431 -0.002165 0.002976 31O 2dxz 0.002951 -0.000863 0.002628 0.002388 0.004675 -0.004125 31O 2dyz -0.000635 0.000264 -0.000430 -0.000384 0.000008 -0.000229 31O 2dx2y2 -0.003171 0.001230 0.001130 0.000105 0.000743 -0.000033 31O 2dxy -0.002755 0.000998 0.001530 0.001728 0.003031 -0.003091 31O 1f0 0.000299 -0.000135 -0.000064 -0.000006 -0.000111 0.000122 31O 1f+1 0.000054 0.000031 0.000365 0.000510 0.000891 -0.000958 31O 1f-1 0.000051 0.000041 0.000463 0.000384 0.000792 -0.000810 31O 1f+2 -0.000247 0.000054 -0.000249 -0.000188 -0.000492 0.000454 31O 1f-2 -0.000695 0.000212 0.000011 -0.000004 -0.000094 0.000105 31O 1f+3 0.000223 -0.000095 -0.000066 -0.000163 -0.000318 0.000371 31O 1f-3 -0.000549 0.000162 0.000170 0.000277 0.000351 -0.000377 32O 1s -0.001155 -0.000117 -0.000075 -0.000091 0.000046 -0.000151 32O 2s -0.002777 -0.000276 -0.000184 -0.000223 0.000102 -0.000366 32O 3s 0.004357 0.000365 0.000315 0.000398 -0.000122 0.000613 32O 4s 0.005900 0.000874 0.000065 0.000379 -0.000890 0.000593 32O 5s 0.006523 -0.000217 0.002677 0.000230 0.004116 0.001568 32O 1pz -0.009942 -0.013900 -0.000739 0.000229 0.001530 0.000027 32O 1px 0.037868 0.008190 0.001373 0.002463 -0.001987 -0.000230 32O 1py -0.001318 0.002993 0.000171 -0.000123 -0.000301 -0.002210 32O 2pz -0.008435 -0.010991 -0.000666 0.000052 0.001344 0.000000 32O 2px 0.031445 0.006999 0.001118 0.002096 -0.002092 -0.000287 32O 2py -0.000898 0.002490 0.000246 0.000102 -0.000574 -0.001794 32O 3pz -0.006744 -0.007174 -0.000893 0.003102 0.002145 0.000080 32O 3px 0.023112 0.005601 0.000149 0.002615 -0.000477 0.000131 32O 3py 0.000716 0.001949 0.001047 -0.001386 0.003484 -0.001168 32O 1dz2 0.000015 -0.000188 -0.000016 0.000007 0.000009 0.000005 32O 1dxz -0.000033 0.000217 -0.000009 -0.000013 -0.000024 -0.000005 32O 1dyz -0.000073 -0.000256 0.000004 -0.000027 0.000010 -0.000004 32O 1dx2y2 -0.000154 0.000013 -0.000005 -0.000019 0.000014 0.000013 32O 1dxy 0.000490 0.000033 0.000029 0.000023 -0.000026 0.000012 32O 2dz2 -0.000114 -0.000658 -0.000186 0.000051 0.000202 0.000052 32O 2dxz -0.000099 0.000641 0.000001 -0.000143 0.000007 0.000021 32O 2dyz -0.000572 -0.000729 0.000003 0.000363 0.000201 -0.000033 32O 2dx2y2 -0.000393 0.000017 -0.000215 -0.000080 -0.000027 0.000079 32O 2dxy 0.002261 0.000429 -0.000019 0.000249 -0.000089 0.000016 32O 1f0 -0.000176 -0.000126 0.000028 0.000005 0.000045 0.000004 32O 1f+1 0.000181 -0.000055 -0.000031 0.000010 -0.000011 -0.000004 32O 1f-1 -0.000037 -0.000045 -0.000003 0.000009 0.000047 -0.000010 32O 1f+2 0.000089 0.000063 -0.000010 0.000009 -0.000021 0.000004 32O 1f-2 -0.000009 0.000101 0.000036 -0.000023 -0.000005 -0.000003 32O 1f+3 0.000054 -0.000041 0.000022 0.000017 -0.000017 0.000014 32O 1f-3 0.000197 0.000016 0.000012 0.000033 -0.000030 0.000001 33O 1s 0.000752 0.002123 0.000094 -0.001067 -0.001632 -0.000067 33O 2s 0.001743 0.004929 0.000221 -0.002593 -0.003960 -0.000166 33O 3s -0.001875 -0.005412 -0.000290 0.004564 0.006942 0.000302 33O 4s -0.006255 -0.016597 -0.000732 0.004038 0.006040 0.000245 33O 5s -0.005846 -0.022032 0.001200 0.006358 0.007671 0.001468 33O 1pz 0.021502 0.049900 -0.031319 -0.039782 0.042851 -0.049394 33O 1px -0.027137 -0.082609 -0.018279 -0.027093 0.017951 -0.028841 33O 1py -0.005247 -0.000323 0.046795 0.076997 -0.041206 0.077924 33O 2pz 0.017093 0.038953 -0.026049 -0.034466 0.034654 -0.041657 33O 2px -0.021610 -0.065726 -0.015344 -0.022626 0.016126 -0.024543 33O 2py -0.004581 -0.000361 0.039699 0.065523 -0.035943 0.066356 33O 3pz 0.008514 0.022223 -0.017789 -0.023020 0.018025 -0.025752 33O 3px -0.011278 -0.036264 -0.010105 -0.010287 0.015117 -0.015394 33O 3py -0.003750 0.000104 0.023434 0.037135 -0.020678 0.039581 33O 1dz2 -0.000073 -0.000120 -0.000065 -0.000877 0.000431 -0.000976 33O 1dxz -0.000649 -0.001767 0.000391 0.000284 -0.000636 0.000476 33O 1dyz -0.000031 0.000035 0.000246 0.000749 -0.000624 0.000917 33O 1dx2y2 0.000458 0.001283 0.000472 0.000610 -0.000092 0.000467 33O 1dxy -0.000016 -0.000120 -0.000619 -0.001331 0.000748 -0.001406 33O 2dz2 -0.000853 -0.001916 0.000531 -0.000967 0.000904 -0.001901 33O 2dxz -0.001227 -0.003062 0.001673 0.002190 -0.001683 0.002036 33O 2dyz -0.000822 -0.002232 0.000339 0.001956 -0.000750 0.002260 33O 2dx2y2 0.001142 0.003375 0.001916 0.002470 -0.001602 0.002141 33O 2dxy 0.000119 0.000203 -0.001914 -0.004070 0.002558 -0.004315 33O 1f0 -0.000022 -0.000267 -0.000259 -0.000362 0.000244 -0.000470 33O 1f+1 -0.000161 -0.000394 0.000266 0.000660 -0.000407 0.000754 33O 1f-1 0.000007 -0.000055 -0.000026 0.000025 -0.000100 0.000101 33O 1f+2 0.000223 0.000679 -0.000164 -0.000135 0.000170 -0.000170 33O 1f-2 -0.000000 -0.000152 -0.000405 -0.000777 0.000491 -0.000876 33O 1f+3 0.000114 0.000254 0.000098 0.000171 -0.000078 0.000129 33O 1f-3 -0.000029 -0.000176 -0.000305 -0.000680 0.000437 -0.000755 34O 1s 0.001812 -0.000836 -0.000065 -0.001539 0.001159 -0.000034 34O 2s 0.004223 -0.001963 -0.000171 -0.003750 0.002797 -0.000072 34O 3s -0.005018 0.002483 0.000469 0.006817 -0.004625 -0.000056 34O 4s -0.011661 0.005303 -0.000482 0.004878 -0.005747 0.000847 34O 5s -0.017119 0.007776 -0.002000 0.005540 -0.007754 0.003265 34O 1pz -0.017155 0.012897 -0.053894 -0.057004 -0.093868 0.086401 34O 1px 0.088380 -0.030192 -0.009516 -0.002641 -0.020534 0.014090 34O 1py 0.000260 0.003967 -0.039451 -0.054690 -0.056212 0.062092 34O 2pz -0.013702 0.010585 -0.044875 -0.048479 -0.079004 0.072954 34O 2px 0.071981 -0.024193 -0.008433 -0.004240 -0.017184 0.012698 34O 2py 0.000461 0.003330 -0.032455 -0.044856 -0.047508 0.051973 34O 3pz -0.010820 0.007332 -0.028240 -0.029330 -0.047783 0.044569 34O 3px 0.039133 -0.014175 -0.005433 -0.009872 -0.007328 0.008316 34O 3py 0.003778 0.001931 -0.023112 -0.028239 -0.031345 0.034046 34O 1dz2 -0.000942 0.000309 0.000514 0.000138 0.000524 -0.000302 34O 1dxz -0.000386 0.000156 -0.000697 -0.001178 -0.001615 0.001749 34O 1dyz 0.000116 -0.000018 -0.000051 0.000272 0.000135 -0.000309 34O 1dx2y2 0.001679 -0.000575 0.000007 0.000152 -0.000676 0.000480 34O 1dxy -0.000383 0.000190 -0.000536 -0.000779 -0.001122 0.001175 34O 2dz2 -0.001511 0.000289 0.002345 0.001806 0.003043 -0.002158 34O 2dxz -0.001961 0.000648 -0.001610 -0.002670 -0.004316 0.004707 34O 2dyz 0.001622 -0.000524 -0.000420 -0.000211 0.000181 -0.000644 34O 2dx2y2 0.004275 -0.001489 0.000675 0.000086 -0.000421 0.000770 34O 2dxy 0.001106 -0.000275 -0.001366 -0.002335 -0.003023 0.003248 34O 1f0 0.000166 -0.000107 0.000284 0.000509 0.000642 -0.000721 34O 1f+1 -0.000531 0.000218 0.000090 0.000091 0.000243 -0.000211 34O 1f-1 0.000118 -0.000068 0.000324 0.000297 0.000402 -0.000361 34O 1f+2 0.000016 0.000029 -0.000447 -0.000558 -0.000854 0.000902 34O 1f-2 0.000184 -0.000127 0.000251 0.000378 0.000457 -0.000497 34O 1f+3 -0.000608 0.000179 0.000233 0.000267 0.000529 -0.000539 34O 1f-3 0.000415 -0.000181 0.000257 0.000387 0.000638 -0.000676 35O 1s -0.000643 -0.002000 0.000005 -0.001069 -0.001623 0.000036 35O 2s -0.001501 -0.004691 0.000022 -0.002583 -0.003951 0.000090 35O 3s 0.001844 0.005974 -0.000198 0.004343 0.007102 -0.000195 35O 4s 0.003858 0.011499 0.000834 0.005228 0.005463 0.000178 35O 5s 0.004594 0.017731 0.001586 0.005192 0.005314 0.000107 35O 1pz 0.001290 0.011881 -0.035541 -0.055714 0.043742 -0.055670 35O 1px -0.032922 -0.085291 -0.022815 -0.035446 0.027387 -0.034197 35O 1py -0.002080 -0.025904 0.054166 0.103874 -0.045419 0.088543 35O 2pz 0.000672 0.009312 -0.029274 -0.047084 0.035967 -0.046667 35O 2px -0.027010 -0.069456 -0.018518 -0.030262 0.021441 -0.028679 35O 2py -0.001784 -0.021574 0.045342 0.087308 -0.039477 0.074869 35O 3pz 0.002378 0.009597 -0.020550 -0.031048 0.022633 -0.030932 35O 3px -0.016004 -0.039634 -0.011419 -0.022017 0.005903 -0.018112 35O 3py 0.001060 -0.009815 0.029169 0.052313 -0.026752 0.045859 35O 1dz2 0.000354 0.000989 0.000437 0.000071 -0.000389 0.000064 35O 1dxz -0.000035 -0.000028 -0.000348 -0.001025 0.000581 -0.001063 35O 1dyz -0.000020 0.000040 -0.000359 -0.000539 0.000123 -0.000373 35O 1dx2y2 -0.000451 -0.001270 -0.000435 -0.001122 0.001013 -0.001335 35O 1dxy -0.000320 -0.001053 0.000749 0.001665 -0.000674 0.001494 35O 2dz2 0.001095 0.002838 0.001803 0.001912 -0.001021 0.001013 35O 2dxz 0.000375 0.001092 -0.000526 -0.002030 0.001399 -0.002509 35O 2dyz 0.000514 0.001977 -0.001466 -0.002171 0.001559 -0.001787 35O 2dx2y2 -0.001091 -0.003294 -0.000435 -0.002309 0.001563 -0.003051 35O 2dxy -0.000456 -0.001639 0.002178 0.004814 -0.002404 0.004395 35O 1f0 0.000078 0.000163 -0.000030 0.000192 -0.000105 0.000274 35O 1f+1 0.000192 0.000558 -0.000024 -0.000073 -0.000025 -0.000046 35O 1f-1 0.000139 0.000387 -0.000234 -0.000489 0.000176 -0.000434 35O 1f+2 -0.000166 -0.000257 -0.000340 -0.000628 0.000355 -0.000598 35O 1f-2 -0.000011 -0.000072 -0.000246 -0.000422 0.000200 -0.000378 35O 1f+3 0.000144 0.000185 0.000507 0.001116 -0.000684 0.001159 35O 1f-3 0.000246 0.000666 -0.000187 -0.000470 0.000251 -0.000476 96 97 98 99 100 101 -0.35136 -0.34919 -0.34311 -0.33733 -0.33274 -0.31223 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s 0.000086 0.000396 0.000825 0.000449 0.005453 0.000859 0Rh 2s -0.000340 -0.001598 -0.003216 -0.001687 -0.020793 -0.003259 0Rh 3s 0.000289 0.001306 0.002780 0.001555 0.018667 0.002950 0Rh 4s 0.001455 0.006896 0.013761 0.007180 0.088425 0.013882 0Rh 5s -0.001441 -0.005696 -0.011720 -0.005197 -0.068192 -0.011026 0Rh 6s -0.001176 -0.009148 -0.017963 -0.012879 -0.140743 -0.021257 0Rh 7s 0.000392 -0.004029 0.015907 0.016333 0.166845 0.035865 0Rh 8s 0.009159 0.012778 0.004688 0.021318 -0.016393 -0.015809 0Rh 1pz 0.000466 -0.000294 -0.000133 0.002519 -0.000362 0.000376 0Rh 1px 0.000049 0.000839 -0.000013 -0.007160 0.001354 0.000995 0Rh 1py -0.000279 -0.000350 -0.000299 -0.001796 0.000022 -0.002535 0Rh 2pz -0.001575 0.000991 0.000454 -0.008528 0.001243 -0.001279 0Rh 2px -0.000167 -0.002820 0.000042 0.024242 -0.004644 -0.003350 0Rh 2py 0.000945 0.001194 0.001020 0.006062 -0.000087 0.008582 0Rh 3pz 0.001242 -0.000711 -0.000419 0.006788 -0.001311 0.001118 0Rh 3px 0.000183 0.001932 0.000012 -0.019310 0.004796 0.002346 0Rh 3py -0.000773 -0.001101 -0.000911 -0.004565 0.000284 -0.006764 0Rh 4pz 0.002108 -0.001385 -0.000335 0.011463 -0.000520 0.001389 0Rh 4px 0.000013 0.004225 -0.000477 -0.032609 0.002273 0.005529 0Rh 4py -0.001190 -0.001297 -0.001186 -0.009004 -0.000688 -0.011868 0Rh 5pz -0.000043 -0.000347 -0.000484 -0.000818 -0.001933 0.000278 0Rh 5px 0.000434 0.000995 0.001458 0.002878 0.006601 -0.000900 0Rh 5py -0.000110 0.001140 0.000719 0.002964 0.001992 0.001573 0Rh 6pz -0.004573 -0.000277 0.001592 -0.001324 0.005484 0.000665 0Rh 6px -0.003983 -0.005741 -0.004002 -0.010676 -0.030736 -0.020117 0Rh 6py 0.002462 -0.033111 -0.014942 -0.027837 -0.027595 0.005077 0Rh 1dz2 0.062223 0.015564 0.038211 0.013131 -0.011370 0.020231 0Rh 1dxz 0.027828 0.042904 0.013209 0.024816 -0.008280 -0.010471 0Rh 1dyz -0.032098 -0.029034 0.069009 -0.008998 -0.013030 0.044662 0Rh 1dx2y2 0.042712 -0.070508 -0.014247 -0.046189 0.012237 0.005475 0Rh 1dxy 0.006115 -0.021119 0.026077 0.018409 0.013131 0.046076 0Rh 2dz2 -0.001643 -0.000454 -0.000951 -0.000331 0.000303 -0.000558 0Rh 2dxz -0.000765 -0.001175 -0.000375 -0.000688 0.000224 0.000313 0Rh 2dyz 0.000839 0.000704 -0.001696 0.000244 0.000320 -0.001307 0Rh 2dx2y2 -0.001126 0.001901 0.000400 0.001232 -0.000347 -0.000208 0Rh 2dxy -0.000154 0.000577 -0.000614 -0.000464 -0.000361 -0.001295 0Rh 3dz2 -0.090629 -0.022550 -0.055337 -0.019133 0.016507 -0.029238 0Rh 3dxz -0.040491 -0.062371 -0.019090 -0.036126 0.012010 0.015308 0Rh 3dyz 0.046822 0.042235 -0.099929 0.013225 0.019007 -0.064316 0Rh 3dx2y2 -0.062283 0.102445 0.020637 0.067356 -0.017621 -0.007802 0Rh 3dxy -0.008949 0.030589 -0.037929 -0.026980 -0.019146 -0.067173 0Rh 4dz2 -0.122332 -0.030812 -0.075400 -0.025895 0.022421 -0.040443 0Rh 4dxz -0.054753 -0.084700 -0.026032 -0.048991 0.016438 0.021093 0Rh 4dyz 0.062915 0.057563 -0.136310 0.017852 0.025534 -0.090211 0Rh 4dx2y2 -0.083815 0.139594 0.028032 0.091315 -0.024433 -0.011787 0Rh 4dxy -0.011968 0.042004 -0.051453 -0.035867 -0.025796 -0.091729 0Rh 5dz2 -0.085750 -0.018729 -0.052981 -0.018706 0.016576 -0.026553 0Rh 5dxz -0.038225 -0.055020 -0.016799 -0.034004 0.013579 0.012064 0Rh 5dyz 0.044829 0.039360 -0.097228 0.010819 0.017865 -0.055027 0Rh 5dx2y2 -0.059325 0.089974 0.017144 0.062627 -0.020768 -0.003957 0Rh 5dxy -0.008400 0.027118 -0.037103 -0.025268 -0.019568 -0.058856 0Rh 1f0 0.000190 -0.000188 -0.000562 0.001213 0.001518 0.000097 0Rh 1f+1 -0.000398 0.000655 0.001050 -0.000459 -0.000858 0.001276 0Rh 1f-1 -0.000007 0.001383 -0.000347 0.000421 0.000507 -0.001099 0Rh 1f+2 -0.000310 0.001329 -0.000348 -0.001017 -0.001560 -0.001044 0Rh 1f-2 0.000191 0.001052 0.002488 0.000203 0.000009 0.003304 0Rh 1f+3 0.000402 0.000618 -0.000289 -0.001635 -0.002239 -0.001091 0Rh 1f-3 0.000068 0.002797 -0.000129 -0.000050 0.000032 -0.002574 1Rh 1s -0.000086 0.000398 0.000825 -0.000443 0.005454 -0.000861 1Rh 2s 0.000339 -0.001604 -0.003217 0.001665 -0.020797 0.003268 1Rh 3s -0.000288 0.001311 0.002781 -0.001535 0.018670 -0.002957 1Rh 4s -0.001450 0.006921 0.013766 -0.007085 0.088442 -0.013918 1Rh 5s 0.001438 -0.005717 -0.011729 0.005121 -0.068207 0.011056 1Rh 6s 0.001169 -0.009184 -0.017961 0.012738 -0.140772 0.021305 1Rh 7s -0.000413 -0.004037 0.015864 -0.016175 0.166882 -0.035951 1Rh 8s -0.009122 0.012866 0.004785 -0.021482 -0.016076 0.015968 1Rh 1pz 0.000482 0.000298 0.000124 0.002529 0.000371 0.000388 1Rh 1px 0.000052 -0.000828 0.000026 -0.007157 -0.001342 0.001002 1Rh 1py -0.000276 0.000356 0.000283 -0.001795 0.000002 -0.002537 1Rh 2pz -0.001630 -0.001002 -0.000424 -0.008563 -0.001274 -0.001321 1Rh 2px -0.000179 0.002783 -0.000086 0.024232 0.004604 -0.003374 1Rh 2py 0.000936 -0.001215 -0.000966 0.006059 0.000006 0.008589 1Rh 3pz 0.001285 0.000726 0.000397 0.006815 0.001343 0.001151 1Rh 3px 0.000192 -0.001897 0.000026 -0.019310 -0.004761 0.002363 1Rh 3py -0.000761 0.001115 0.000867 -0.004561 -0.000224 -0.006766 1Rh 4pz 0.002184 0.001381 0.000287 0.011519 0.000535 0.001446 1Rh 4px 0.000035 -0.004193 0.000527 -0.032567 -0.002231 0.005565 1Rh 4py -0.001199 0.001334 0.001118 -0.009004 0.000815 -0.011888 1Rh 5pz -0.000044 0.000404 0.000513 -0.000879 0.001984 0.000271 1Rh 5px 0.000425 -0.000956 -0.001442 0.002813 -0.006580 -0.000909 1Rh 5py -0.000080 -0.001162 -0.000725 0.002976 -0.002033 0.001587 1Rh 6pz -0.004762 -0.000527 -0.001971 0.000356 -0.006096 0.000731 1Rh 6px -0.004019 0.005241 0.003786 -0.009930 0.030513 -0.020103 1Rh 6py 0.002402 0.033316 0.015110 -0.028163 0.027844 0.005076 1Rh 1dz2 -0.062263 0.015858 0.038265 -0.013328 -0.011210 -0.020272 1Rh 1dxz -0.027792 0.042619 0.012986 -0.024445 -0.008467 0.010535 1Rh 1dyz 0.031943 -0.029185 0.069055 0.009120 -0.013167 -0.044650 1Rh 1dx2y2 -0.042700 -0.070702 -0.014463 0.046293 0.012045 -0.005448 1Rh 1dxy -0.006211 -0.021047 0.026062 -0.018387 0.013243 -0.046099 1Rh 2dz2 0.001646 -0.000461 -0.000952 0.000336 0.000299 0.000559 1Rh 2dxz 0.000763 -0.001168 -0.000369 0.000678 0.000229 -0.000315 1Rh 2dyz -0.000835 0.000708 -0.001697 -0.000247 0.000323 0.001307 1Rh 2dx2y2 0.001125 0.001906 0.000406 -0.001235 -0.000342 0.000208 1Rh 2dxy 0.000157 0.000576 -0.000613 0.000463 -0.000364 0.001294 1Rh 3dz2 0.090684 -0.022979 -0.055416 0.019421 0.016273 0.029299 1Rh 3dxz 0.040444 -0.061953 -0.018763 0.035585 0.012285 -0.015403 1Rh 3dyz -0.046598 0.042455 -0.099996 -0.013404 0.019209 0.064299 1Rh 3dx2y2 0.062268 0.102729 0.020952 -0.067510 -0.017340 0.007761 1Rh 3dxy 0.009088 0.030481 -0.037910 0.026952 -0.019312 0.067210 1Rh 4dz2 0.122424 -0.031384 -0.075504 0.026277 0.022111 0.040521 1Rh 4dxz 0.054668 -0.084149 -0.025599 0.048266 0.016798 -0.021221 1Rh 4dyz -0.062615 0.057857 -0.136402 -0.018093 0.025798 0.090190 1Rh 4dx2y2 0.083788 0.139977 0.028457 -0.091518 -0.024056 0.011742 1Rh 4dxy 0.012158 0.041871 -0.051418 0.035815 -0.026013 0.091763 1Rh 5dz2 0.085773 -0.019134 -0.053059 0.018977 0.016348 0.026618 1Rh 5dxz 0.038216 -0.054584 -0.016471 0.033510 0.013858 -0.012144 1Rh 5dyz -0.044591 0.039570 -0.097294 -0.010971 0.018067 0.055011 1Rh 5dx2y2 0.059314 0.090219 0.017440 -0.062767 -0.020506 0.003899 1Rh 5dxy 0.008531 0.026993 -0.037100 0.025254 -0.019722 0.058913 1Rh 1f0 0.000180 0.000190 0.000563 0.001201 -0.001515 0.000088 1Rh 1f+1 -0.000407 -0.000638 -0.001042 -0.000498 0.000868 0.001267 1Rh 1f-1 -0.000011 -0.001379 0.000357 0.000400 -0.000514 -0.001116 1Rh 1f+2 -0.000312 -0.001343 0.000340 -0.000974 0.001559 -0.001044 1Rh 1f-2 0.000192 -0.001056 -0.002486 0.000207 -0.000012 0.003298 1Rh 1f+3 0.000402 -0.000606 0.000298 -0.001654 0.002242 -0.001094 1Rh 1f-3 0.000068 -0.002795 0.000131 -0.000056 -0.000030 -0.002570 2C 1s -0.000062 0.000107 0.004565 0.000386 -0.005399 0.000662 2C 2s -0.000138 0.000236 0.010164 0.000886 -0.012016 0.001486 2C 3s 0.000213 -0.001140 -0.018940 -0.000980 0.022097 -0.002558 2C 4s 0.000628 0.002909 -0.012574 -0.004187 0.017236 -0.002378 2C 5s -0.004235 0.000350 -0.057183 -0.025676 -0.020258 -0.019546 2C 1pz 0.010464 0.002721 -0.078582 -0.005137 0.088159 -0.003003 2C 1px 0.002586 -0.012641 -0.030730 -0.016054 0.020572 -0.023516 2C 1py -0.014996 -0.001822 -0.052282 -0.005944 0.053285 -0.005280 2C 2pz 0.008081 0.003779 -0.060926 -0.007956 0.066330 -0.002651 2C 2px 0.002026 -0.008687 -0.022341 -0.014764 0.015563 -0.019815 2C 2py -0.011314 0.000184 -0.039981 -0.006441 0.039789 -0.004254 2C 3pz 0.011001 0.002130 -0.029677 -0.007362 0.016842 -0.002735 2C 3px -0.001961 -0.007181 -0.023278 -0.004480 0.014313 -0.010808 2C 3py -0.016943 -0.000714 -0.019887 -0.007428 0.006293 -0.004885 2C 1dz2 -0.000347 -0.000155 -0.002860 -0.000361 0.002740 -0.000264 2C 1dxz -0.000307 0.000645 -0.000961 0.000531 0.001660 0.000868 2C 1dyz 0.000302 -0.000292 -0.004171 -0.000812 0.004022 -0.000934 2C 1dx2y2 -0.000170 -0.000375 0.001199 -0.000269 -0.001754 -0.000446 2C 1dxy 0.000280 0.000327 -0.000550 0.000110 0.000929 0.000157 2C 2dz2 -0.000593 0.000033 -0.001030 -0.001436 0.000500 -0.000113 2C 2dxz -0.000565 0.001164 -0.001058 0.000308 0.001508 0.000515 2C 2dyz 0.000375 0.000436 -0.000629 -0.001881 0.000480 -0.000318 2C 2dx2y2 -0.000800 -0.000319 0.002354 -0.000085 -0.002224 0.000289 2C 2dxy 0.000667 0.000699 0.000732 -0.000061 -0.000019 0.000201 2C 1f0 -0.000351 -0.000112 -0.000138 -0.000162 0.000020 -0.000000 2C 1f+1 0.000181 0.000160 -0.000420 -0.000094 0.000650 -0.000002 2C 1f-1 0.000146 0.000063 -0.000360 -0.000222 0.000434 -0.000120 2C 1f+2 0.000016 0.000004 0.000266 0.000115 -0.000346 0.000043 2C 1f-2 -0.000183 0.000300 0.000209 0.000054 0.000056 0.000085 2C 1f+3 -0.000239 0.000074 -0.000228 -0.000046 0.000331 -0.000035 2C 1f-3 -0.000005 -0.000073 -0.000409 -0.000121 0.000431 -0.000151 3C 1s -0.000093 0.003399 -0.003797 -0.000529 -0.004366 -0.001597 3C 2s -0.000221 0.007563 -0.008434 -0.001193 -0.009700 -0.003590 3C 3s 0.000324 -0.014412 0.014981 0.001151 0.017726 0.006969 3C 4s 0.000655 -0.006949 0.013775 0.006690 0.014409 0.002134 3C 5s -0.001658 -0.023648 0.034774 0.016460 -0.027867 0.033969 3C 1pz 0.010078 -0.035639 0.030735 0.013855 0.033198 0.000853 3C 1px 0.007120 -0.014152 0.035224 -0.009796 0.036151 0.044680 3C 1py 0.004054 0.072568 -0.069167 -0.016057 -0.070407 -0.013228 3C 2pz 0.008098 -0.026658 0.025377 0.013707 0.025098 0.000017 3C 2px 0.004969 -0.009957 0.026947 -0.006460 0.026955 0.037163 3C 2py 0.002176 0.052973 -0.054014 -0.016991 -0.052271 -0.009570 3C 3pz 0.006904 -0.004560 0.004117 0.008244 -0.004081 0.002869 3C 3px 0.014134 -0.008727 0.018591 -0.002591 0.013108 0.018608 3C 3py 0.008615 0.026769 -0.027389 -0.011768 -0.014323 -0.009956 3C 1dz2 -0.000123 0.000742 -0.000490 -0.000225 -0.000411 0.000151 3C 1dxz 0.000150 -0.002050 0.000877 0.000992 0.000847 -0.001624 3C 1dyz 0.000139 0.002407 -0.003179 -0.000065 -0.003060 -0.001795 3C 1dx2y2 -0.000423 0.002017 -0.002370 -0.000499 -0.002469 -0.000875 3C 1dxy -0.000041 0.002176 -0.001737 -0.000637 -0.001741 -0.000094 3C 2dz2 -0.000300 -0.000451 0.000988 -0.000607 0.000937 0.000636 3C 2dxz -0.000360 -0.001823 0.000650 0.001283 0.000096 -0.000698 3C 2dyz -0.000102 -0.000724 -0.001223 -0.002024 -0.000987 -0.000637 3C 2dx2y2 -0.000812 0.000808 -0.002439 -0.000748 -0.001931 -0.001112 3C 2dxy -0.000156 0.001286 -0.000601 -0.001384 0.000011 0.000663 3C 1f0 -0.000260 0.000164 -0.000220 -0.000114 -0.000212 -0.000149 3C 1f+1 0.000161 -0.000065 0.000232 -0.000004 0.000274 0.000224 3C 1f-1 0.000180 0.000078 -0.000217 -0.000095 -0.000246 -0.000114 3C 1f+2 0.000029 -0.000248 -0.000088 -0.000127 -0.000090 -0.000085 3C 1f-2 -0.000139 0.000248 -0.000198 -0.000246 -0.000205 0.000170 3C 1f+3 -0.000216 -0.000521 0.000341 0.000259 0.000362 0.000045 3C 1f-3 -0.000141 0.000117 -0.000622 -0.000032 -0.000714 -0.000346 4C 1s -0.000127 0.000261 0.010521 -0.001757 -0.009363 -0.000071 4C 2s -0.000257 0.000591 0.023331 -0.003786 -0.020680 -0.000138 4C 3s 0.000591 -0.001047 -0.041548 0.003830 0.032924 -0.000226 4C 4s -0.000921 0.002315 -0.051711 0.028348 0.063414 0.004032 4C 5s -0.002125 -0.009373 0.005765 0.012942 0.049684 0.011149 4C 1pz -0.004244 -0.002687 0.052538 0.015420 -0.061412 0.021887 4C 1px -0.001157 0.010677 0.015931 0.000260 -0.007371 -0.031582 4C 1py 0.005546 0.001548 0.038218 0.006092 -0.039138 -0.006999 4C 2pz -0.002785 -0.000919 0.043681 0.011251 -0.046011 0.010549 4C 2px -0.002479 0.012923 0.015032 0.003346 -0.001065 -0.003121 4C 2py 0.003801 0.003860 0.032745 0.005627 -0.028344 -0.000707 4C 3pz -0.007720 -0.003418 -0.017993 -0.008879 -0.029472 -0.011546 4C 3px -0.000763 0.000183 0.004432 0.002458 -0.013067 0.025169 4C 3py 0.004198 -0.003051 -0.010140 -0.003306 -0.017841 0.002260 4C 1dz2 -0.003152 -0.000091 -0.006815 0.000530 0.007449 0.002537 4C 1dxz 0.003525 0.000260 -0.005562 -0.001615 0.006199 -0.005403 4C 1dyz 0.003653 0.000030 -0.006323 -0.000490 0.006798 -0.000589 4C 1dx2y2 0.003620 0.000049 0.008263 0.000712 -0.009259 0.000698 4C 1dxy -0.006893 0.000208 0.001600 -0.000646 -0.001816 -0.003638 4C 2dz2 -0.004773 -0.002217 -0.012038 0.001388 0.012026 0.000392 4C 2dxz 0.005096 0.001920 -0.008866 -0.003045 0.012793 -0.003964 4C 2dyz 0.005710 -0.001075 -0.010540 0.002207 0.012364 -0.000356 4C 2dx2y2 0.005191 0.001143 0.014412 -0.000852 -0.015797 0.000623 4C 2dxy -0.011662 0.001511 0.003160 -0.001077 -0.002032 -0.001924 4C 1f0 -0.001208 0.000459 0.000060 0.000404 0.000443 0.001402 4C 1f+1 0.001589 -0.000223 -0.000665 -0.001187 0.000406 -0.001886 4C 1f-1 0.000944 0.000290 0.000690 0.000117 -0.000699 0.000591 4C 1f+2 0.000690 -0.000659 -0.000207 0.000041 -0.000407 -0.000881 4C 1f-2 -0.001207 -0.000167 0.000019 -0.000901 -0.000394 -0.001855 4C 1f+3 -0.001634 -0.000580 -0.000154 -0.000500 -0.000543 -0.001592 4C 1f-3 -0.000602 -0.000211 -0.000575 -0.000355 0.000306 -0.000194 5C 1s -0.000040 0.009146 -0.008672 0.002137 -0.007273 0.000113 5C 2s -0.000089 0.020266 -0.019196 0.004601 -0.016031 0.000235 5C 3s 0.000786 -0.036673 0.033424 -0.004460 0.024163 -0.000935 5C 4s -0.003914 -0.037936 0.048096 -0.036832 0.054909 -0.002244 5C 5s -0.003106 -0.006296 -0.001694 -0.010637 0.050640 -0.021530 5C 1pz -0.004644 0.030635 -0.025813 -0.009658 -0.028858 -0.030857 5C 1px -0.001656 0.005757 -0.023951 -0.016205 -0.025147 0.045531 5C 1py 0.001079 -0.047165 0.044729 0.016759 0.047150 0.027265 5C 2pz -0.003310 0.029056 -0.019079 -0.010458 -0.019435 -0.017367 5C 2px -0.001416 0.001015 -0.022090 -0.005364 -0.022048 0.012095 5C 2py 0.000626 -0.042746 0.033707 0.014889 0.031584 0.018083 5C 3pz -0.004404 -0.004456 0.006458 -0.000368 -0.012332 0.009981 5C 3px -0.008576 0.003735 -0.002375 0.008777 -0.013607 -0.029546 5C 3py 0.001622 -0.000131 -0.005196 -0.001407 0.028553 -0.007033 5C 1dz2 -0.004478 -0.001885 0.002025 0.000932 0.002147 -0.002470 5C 1dxz 0.007050 -0.004978 0.005121 -0.000284 0.005433 0.005834 5C 1dyz -0.000192 0.003178 -0.003601 -0.000961 -0.003422 0.002900 5C 1dx2y2 -0.000235 0.007670 -0.008391 -0.002426 -0.008788 0.002268 5C 1dxy 0.005384 0.004308 -0.004371 0.000931 -0.004774 -0.009674 5C 2dz2 -0.006514 -0.003130 0.004314 0.003039 0.004205 -0.001531 5C 2dxz 0.010998 -0.011727 0.007503 -0.000471 0.008301 0.005961 5C 2dyz 0.000177 0.004529 -0.006338 0.000498 -0.007605 0.001585 5C 2dx2y2 -0.000769 0.013769 -0.014551 -0.001427 -0.016344 0.000771 5C 2dxy 0.009061 0.010437 -0.005700 0.002531 -0.007051 -0.009919 5C 1f0 -0.001364 -0.001075 0.000212 0.000491 0.000343 -0.000613 5C 1f+1 0.001670 -0.000016 0.000514 0.000301 0.000592 0.000634 5C 1f-1 0.000881 -0.000055 0.000163 -0.000527 0.000210 0.001586 5C 1f+2 0.000580 0.000012 0.000658 -0.001061 0.000834 0.003225 5C 1f-2 -0.001129 0.000048 -0.000030 0.000020 0.000036 -0.001929 5C 1f+3 -0.001629 0.000740 0.000592 -0.000320 0.000587 0.003268 5C 1f-3 -0.000415 0.000760 -0.000096 -0.001538 0.000045 0.003020 6C 1s 0.000056 0.009181 -0.008653 -0.002148 -0.007257 -0.000107 6C 2s 0.000123 0.020340 -0.019153 -0.004627 -0.015997 -0.000223 6C 3s -0.000829 -0.036758 0.033359 0.004529 0.024114 0.000927 6C 4s 0.003725 -0.038435 0.047927 0.036781 0.054738 0.002125 6C 5s 0.002878 -0.006489 -0.001904 0.010620 0.050897 0.021724 6C 1pz -0.004607 -0.030507 0.025820 -0.009558 0.029050 -0.030913 6C 1px -0.001621 -0.005661 0.023981 -0.016359 0.025297 0.045544 6C 1py 0.001260 0.046913 -0.044831 0.016679 -0.047300 0.027258 6C 2pz -0.003265 -0.028947 0.019100 -0.010341 0.019583 -0.017386 6C 2px -0.001320 -0.001020 0.022073 -0.005550 0.022135 0.012058 6C 2py 0.000749 0.042556 -0.033802 0.014797 -0.031696 0.018070 6C 3pz -0.004255 0.004249 -0.006497 -0.000341 0.012097 0.010119 6C 3px -0.008488 -0.004068 0.002455 0.009145 0.013520 -0.029427 6C 3py 0.001363 0.000416 0.005351 -0.001534 -0.028036 -0.007281 6C 1dz2 0.004476 -0.001875 0.002030 -0.000930 0.002147 0.002484 6C 1dxz -0.007057 -0.004961 0.005108 0.000292 0.005440 -0.005851 6C 1dyz 0.000196 0.003173 -0.003601 0.000955 -0.003425 -0.002901 6C 1dx2y2 0.000237 0.007662 -0.008392 0.002411 -0.008816 -0.002265 6C 1dxy -0.005359 0.004298 -0.004371 -0.000931 -0.004770 0.009667 6C 2dz2 0.006527 -0.003132 0.004296 -0.003035 0.004166 0.001549 6C 2dxz -0.010993 -0.011734 0.007483 0.000515 0.008275 -0.005962 6C 2dyz -0.000170 0.004570 -0.006305 -0.000457 -0.007597 -0.001569 6C 2dx2y2 0.000733 0.013804 -0.014538 0.001423 -0.016329 -0.000765 6C 2dxy -0.009011 0.010459 -0.005711 -0.002633 -0.007028 0.009900 6C 1f0 -0.001363 0.001074 -0.000216 0.000478 -0.000346 -0.000615 6C 1f+1 0.001663 0.000015 -0.000513 0.000306 -0.000598 0.000636 6C 1f-1 0.000879 0.000053 -0.000161 -0.000524 -0.000209 0.001588 6C 1f+2 0.000581 -0.000009 -0.000655 -0.001047 -0.000829 0.003229 6C 1f-2 -0.001130 -0.000040 0.000032 0.000024 -0.000034 -0.001928 6C 1f+3 -0.001630 -0.000745 -0.000594 -0.000311 -0.000586 0.003269 6C 1f-3 -0.000413 -0.000749 0.000098 -0.001524 -0.000044 0.003021 7C 1s 0.000113 0.000296 0.010535 0.001754 -0.009337 0.000075 7C 2s 0.000226 0.000669 0.023360 0.003781 -0.020626 0.000147 7C 3s -0.000559 -0.001140 -0.041585 -0.003874 0.032855 0.000216 7C 4s 0.001125 0.001846 -0.051918 -0.027972 0.063140 -0.004068 7C 5s 0.002320 -0.009412 0.005519 -0.012475 0.049739 -0.011473 7C 1pz -0.004261 0.002875 -0.052324 0.015518 0.061412 0.021880 7C 1px -0.001247 -0.010641 -0.015831 -0.000049 0.007349 -0.031636 7C 1py 0.005799 -0.001366 -0.038108 0.006068 0.039174 -0.006975 7C 2pz -0.002856 0.000986 -0.043568 0.011255 0.045972 0.010558 7C 2px -0.002570 -0.012724 -0.014884 0.002954 0.001148 -0.003189 7C 2py 0.003972 -0.003707 -0.032625 0.005504 0.028340 -0.000692 7C 3pz -0.007962 0.003114 0.017948 -0.009055 0.029121 -0.011647 7C 3px -0.001156 -0.000024 -0.004550 0.002632 0.013271 0.025080 7C 3py 0.004073 0.002942 0.009954 -0.003366 0.018014 0.002130 7C 1dz2 0.003176 -0.000082 -0.006778 -0.000529 0.007426 -0.002542 7C 1dxz -0.003506 0.000266 -0.005539 0.001610 0.006170 0.005400 7C 1dyz -0.003636 0.000034 -0.006325 0.000492 0.006796 0.000596 7C 1dx2y2 -0.003602 0.000046 0.008255 -0.000715 -0.009264 -0.000685 7C 1dxy 0.006871 0.000197 0.001605 0.000643 -0.001819 0.003611 7C 2dz2 0.004799 -0.002243 -0.012010 -0.001436 0.011957 -0.000401 7C 2dxz -0.005091 0.001864 -0.008879 0.003085 0.012699 0.003976 7C 2dyz -0.005698 -0.001108 -0.010570 -0.002226 0.012348 0.000363 7C 2dx2y2 -0.005119 0.001160 0.014408 0.000900 -0.015805 -0.000603 7C 2dxy 0.011646 0.001471 0.003145 0.001196 -0.002044 0.001891 7C 1f0 -0.001203 -0.000459 -0.000065 0.000389 -0.000445 0.001395 7C 1f+1 0.001600 0.000218 0.000666 -0.001165 -0.000411 -0.001884 7C 1f-1 0.000939 -0.000297 -0.000692 0.000118 0.000696 0.000588 7C 1f+2 0.000684 0.000662 0.000214 0.000055 0.000404 -0.000876 7C 1f-2 -0.001201 0.000170 -0.000013 -0.000893 0.000392 -0.001847 7C 1f+3 -0.001626 0.000579 0.000152 -0.000483 0.000538 -0.001582 7C 1f-3 -0.000611 0.000202 0.000567 -0.000340 -0.000305 -0.000193 8C 1s 0.000100 0.003391 -0.003794 0.000523 -0.004371 0.001600 8C 2s 0.000236 0.007545 -0.008427 0.001179 -0.009712 0.003598 8C 3s -0.000344 -0.014397 0.014971 -0.001133 0.017740 -0.006988 8C 4s -0.000732 -0.006848 0.013757 -0.006651 0.014476 -0.002114 8C 5s 0.001501 -0.022878 0.035080 -0.016612 -0.027330 -0.034561 8C 1pz 0.010168 0.035647 -0.030778 0.013745 -0.033427 0.000863 8C 1px 0.007118 0.014258 -0.035327 -0.009620 -0.036326 0.044741 8C 1py 0.003916 -0.072302 0.069127 -0.015930 0.070454 -0.013221 8C 2pz 0.008174 0.026604 -0.025401 0.013631 -0.025293 0.000019 8C 2px 0.004989 0.009974 -0.027016 -0.006341 -0.027094 0.037193 8C 2py 0.002054 -0.052673 0.054034 -0.016902 0.052373 -0.009559 8C 3pz 0.007139 0.004481 -0.004254 0.008236 0.003848 0.002953 8C 3px 0.014019 0.008933 -0.018832 -0.002537 -0.013402 0.018658 8C 3py 0.008601 -0.026382 0.027330 -0.011764 0.014360 -0.010030 8C 1dz2 0.000123 0.000731 -0.000495 0.000211 -0.000417 -0.000125 8C 1dxz -0.000147 -0.002043 0.000881 -0.000973 0.000850 0.001618 8C 1dyz -0.000126 0.002392 -0.003183 0.000064 -0.003066 0.001812 8C 1dx2y2 0.000421 0.002022 -0.002368 0.000504 -0.002478 0.000859 8C 1dxy 0.000046 0.002177 -0.001734 0.000636 -0.001746 0.000081 8C 2dz2 0.000302 -0.000464 0.000965 0.000594 0.000906 -0.000626 8C 2dxz 0.000359 -0.001819 0.000660 -0.001266 0.000102 0.000698 8C 2dyz 0.000103 -0.000777 -0.001230 0.002031 -0.000997 0.000631 8C 2dx2y2 0.000811 0.000778 -0.002429 0.000765 -0.001945 0.001107 8C 2dxy 0.000174 0.001273 -0.000611 0.001363 0.000000 -0.000678 8C 1f0 -0.000260 -0.000163 0.000220 -0.000113 0.000213 -0.000148 8C 1f+1 0.000162 0.000069 -0.000235 -0.000003 -0.000279 0.000226 8C 1f-1 0.000180 -0.000076 0.000216 -0.000097 0.000243 -0.000113 8C 1f+2 0.000031 0.000248 0.000089 -0.000130 0.000092 -0.000086 8C 1f-2 -0.000140 -0.000242 0.000195 -0.000241 0.000202 0.000170 8C 1f+3 -0.000214 0.000520 -0.000347 0.000254 -0.000369 0.000045 8C 1f-3 -0.000142 -0.000110 0.000618 -0.000036 0.000714 -0.000347 9C 1s 0.000054 0.000105 0.004555 -0.000386 -0.005391 -0.000661 9C 2s 0.000122 0.000231 0.010143 -0.000886 -0.011999 -0.001484 9C 3s -0.000192 -0.001148 -0.018908 0.000966 0.022054 0.002557 9C 4s -0.000538 0.003012 -0.012515 0.004270 0.017287 0.002354 9C 5s 0.004430 0.000794 -0.056737 0.025564 -0.020132 0.020003 9C 1pz 0.010554 -0.002830 0.078057 -0.005263 -0.087754 -0.003007 9C 1px 0.002873 0.012639 0.030682 -0.015711 -0.020503 -0.023401 9C 1py -0.015395 0.001734 0.052708 -0.005905 -0.053788 -0.005272 9C 2pz 0.008126 -0.003934 0.060507 -0.008057 -0.066079 -0.002665 9C 2px 0.002212 0.008678 0.022306 -0.014518 -0.015523 -0.019717 9C 2py -0.011641 -0.000337 0.040210 -0.006430 -0.040199 -0.004238 9C 3pz 0.010959 -0.002307 0.029099 -0.007385 -0.016507 -0.002832 9C 3px -0.001263 0.007123 0.023347 -0.004317 -0.014489 -0.010717 9C 3py -0.017154 0.000638 0.020321 -0.007409 -0.006792 -0.004895 9C 1dz2 0.000355 -0.000151 -0.002837 0.000356 0.002719 0.000263 9C 1dxz 0.000320 0.000659 -0.000940 -0.000525 0.001651 -0.000880 9C 1dyz -0.000283 -0.000284 -0.004175 0.000801 0.004032 0.000924 9C 1dx2y2 0.000200 -0.000374 0.001213 0.000247 -0.001773 0.000432 9C 1dxy -0.000291 0.000310 -0.000555 -0.000078 0.000919 -0.000125 9C 2dz2 0.000614 0.000046 -0.000999 0.001412 0.000495 0.000105 9C 2dxz 0.000587 0.001180 -0.001026 -0.000286 0.001489 -0.000509 9C 2dyz -0.000362 0.000479 -0.000604 0.001878 0.000499 0.000303 9C 2dx2y2 0.000830 -0.000329 0.002332 0.000066 -0.002215 -0.000301 9C 2dxy -0.000654 0.000696 0.000732 0.000100 -0.000024 -0.000197 9C 1f0 -0.000356 0.000112 0.000133 -0.000153 -0.000015 0.000004 9C 1f+1 0.000177 -0.000159 0.000416 -0.000101 -0.000644 -0.000004 9C 1f-1 0.000144 -0.000066 0.000362 -0.000223 -0.000439 -0.000121 9C 1f+2 0.000016 0.000002 -0.000258 0.000113 0.000344 0.000042 9C 1f-2 -0.000182 -0.000303 -0.000206 0.000045 -0.000062 0.000083 9C 1f+3 -0.000240 -0.000078 0.000219 -0.000044 -0.000326 -0.000032 9C 1f-3 -0.000007 0.000074 0.000422 -0.000121 -0.000447 -0.000148 10H 1s 0.000065 -0.007009 0.008826 -0.006284 -0.016200 -0.010156 10H 2s 0.000696 -0.010687 0.011295 -0.008821 -0.022790 -0.016315 10H 3s 0.004438 -0.002281 0.026999 -0.003382 -0.025777 -0.001049 10H 1pz 0.000626 -0.000444 -0.002182 -0.000549 0.001889 -0.000727 10H 1px 0.000178 0.000540 -0.001317 0.000239 0.002082 0.000883 10H 1py -0.000772 -0.000203 -0.001473 -0.000245 0.001297 -0.000184 11H 1s -0.007882 0.003221 0.018139 0.005630 -0.016313 0.007625 11H 2s -0.011194 0.004352 0.026338 0.008863 -0.022653 0.013225 11H 3s 0.004124 0.001135 0.015589 0.007878 -0.010294 0.007523 11H 1pz -0.000084 0.000286 -0.001229 0.000200 0.001675 0.000474 11H 1px -0.000910 -0.000176 0.000530 -0.000095 -0.000613 0.000045 11H 1py 0.000061 -0.000279 -0.003058 -0.000578 0.002975 -0.000755 12H 1s 0.007363 0.004310 0.017404 0.005452 -0.013060 0.006544 12H 2s 0.010031 0.006286 0.025443 0.008613 -0.018165 0.012055 12H 3s -0.007491 0.000986 0.018420 0.005802 -0.013858 0.004760 12H 1pz -0.000202 -0.000106 -0.003334 -0.000384 0.003442 -0.000465 12H 1px 0.000636 -0.000176 -0.000136 -0.000209 0.000178 -0.000149 12H 1py 0.000383 0.000445 0.000311 0.000508 0.000210 0.000812 13H 1s -0.000748 0.018422 -0.006923 -0.011096 -0.007181 0.015701 13H 2s -0.001547 0.026195 -0.009274 -0.017048 -0.009776 0.025407 13H 3s -0.007851 0.025011 -0.019651 -0.006035 -0.015663 0.001547 13H 1pz 0.000512 0.000303 0.000582 -0.000561 0.000518 0.001517 13H 1px 0.000301 -0.001858 0.001447 0.000998 0.001558 -0.000870 13H 1py 0.000426 0.001647 -0.002033 -0.000213 -0.002036 -0.000927 14H 1s -0.005343 0.005432 -0.014733 0.003198 -0.015249 -0.018591 14H 2s -0.007468 0.007043 -0.020303 0.004568 -0.020583 -0.031074 14H 3s 0.009281 0.010421 -0.017574 0.000370 -0.014810 -0.015380 14H 1pz -0.000063 -0.000807 0.000056 0.000586 0.000055 -0.000986 14H 1px -0.000542 -0.000114 -0.000257 0.000180 -0.000227 -0.001056 14H 1py -0.000278 0.002524 -0.002669 -0.000443 -0.002757 -0.001270 15H 1s 0.004442 0.013451 -0.015795 0.000421 -0.014747 -0.007532 15H 2s 0.006463 0.019417 -0.022999 0.001162 -0.020314 -0.013356 15H 3s -0.003258 0.007803 -0.010880 -0.001453 -0.006302 -0.009213 15H 1pz -0.000255 -0.002627 0.002663 0.000290 0.002589 0.000867 15H 1px 0.000660 -0.000209 0.000879 -0.000273 0.000999 0.001170 15H 1py -0.000190 0.001090 -0.000701 -0.000605 -0.000938 0.000353 16H 1s -0.000338 0.018466 0.007517 0.011288 0.004132 -0.001827 16H 2s -0.002881 0.028445 0.010704 0.016525 0.005366 -0.000396 16H 3s -0.001952 0.004968 0.003113 0.000296 0.001695 0.003800 16H 1pz -0.000091 0.004878 0.002055 0.004759 0.002312 0.000068 16H 1px -0.000020 -0.004611 -0.002785 -0.008691 -0.004554 -0.001388 16H 1py -0.000425 -0.007429 -0.003897 -0.009329 -0.004606 -0.000713 17H 1s -0.000363 0.018342 0.007117 0.010764 0.004231 -0.001959 17H 2s -0.004649 0.027096 0.011097 0.015271 0.004828 -0.005365 17H 3s -0.003186 0.005738 0.000047 0.000585 0.002004 -0.003866 17H 1pz 0.000065 -0.001683 -0.000462 0.000703 0.000561 0.000347 17H 1px 0.000255 -0.006829 -0.004034 -0.010228 -0.005118 -0.000970 17H 1py -0.000490 -0.007042 -0.003649 -0.009180 -0.004555 -0.000164 18H 1s 0.000332 0.018379 0.007136 -0.010776 0.004256 0.001946 18H 2s 0.004782 0.027250 0.011160 -0.015413 0.004889 0.005216 18H 3s 0.003452 0.005751 0.000101 -0.000603 0.002021 0.003735 18H 1pz 0.000076 0.001575 0.000403 0.000848 -0.000640 0.000361 18H 1px 0.000291 0.006793 0.004020 -0.010148 0.005100 -0.000978 18H 1py -0.000480 0.007111 0.003691 -0.009184 0.004577 -0.000150 19H 1s 0.000379 0.018500 0.007532 -0.011238 0.004147 0.001848 19H 2s 0.002704 0.028419 0.010689 -0.016311 0.005324 0.000358 19H 3s 0.001638 0.004911 0.003055 -0.000224 0.001629 -0.003824 19H 1pz -0.000062 -0.005016 -0.002130 0.004900 -0.002390 0.000077 19H 1px -0.000049 0.004578 0.002771 -0.008619 0.004533 -0.001394 19H 1py -0.000428 0.007377 0.003893 -0.009288 0.004608 -0.000706 20H 1s -0.004378 0.013312 -0.015822 -0.000467 -0.014733 0.007683 20H 2s -0.006361 0.019195 -0.023023 -0.001247 -0.020288 0.013641 20H 3s 0.003432 0.007693 -0.011009 0.001442 -0.006401 0.009378 20H 1pz -0.000247 0.002614 -0.002665 0.000281 -0.002595 0.000887 20H 1px 0.000661 0.000202 -0.000867 -0.000263 -0.000994 0.001157 20H 1py -0.000185 -0.001100 0.000706 -0.000607 0.000947 0.000368 21H 1s 0.005365 0.005505 -0.014725 -0.003077 -0.015314 0.018514 21H 2s 0.007494 0.007168 -0.020319 -0.004393 -0.020697 0.030989 21H 3s -0.009256 0.010242 -0.017447 -0.000311 -0.014735 0.015389 21H 1pz -0.000062 0.000798 -0.000047 0.000579 -0.000047 -0.001001 21H 1px -0.000542 0.000103 0.000251 0.000170 0.000224 -0.001037 21H 1py -0.000284 -0.002522 0.002675 -0.000443 0.002768 -0.001270 22H 1s 0.000737 0.018398 -0.006918 0.010976 -0.007223 -0.015759 22H 2s 0.001514 0.026158 -0.009269 0.016851 -0.009842 -0.025478 22H 3s 0.007724 0.025057 -0.019734 0.005977 -0.015788 -0.001516 22H 1pz 0.000520 -0.000290 -0.000587 -0.000544 -0.000526 0.001510 22H 1px 0.000300 0.001861 -0.001447 0.000996 -0.001568 -0.000883 22H 1py 0.000420 -0.001628 0.002029 -0.000208 0.002031 -0.000936 23H 1s -0.007600 0.004201 0.017406 -0.005218 -0.013124 -0.006359 23H 2s -0.010407 0.006114 0.025458 -0.008289 -0.018259 -0.011799 23H 3s 0.007224 0.000864 0.018103 -0.005637 -0.013626 -0.004769 23H 1pz -0.000209 0.000102 0.003334 -0.000378 -0.003445 -0.000456 23H 1px 0.000653 0.000189 0.000160 -0.000220 -0.000193 -0.000170 23H 1py 0.000402 -0.000438 -0.000318 0.000491 -0.000207 0.000801 24H 1s 0.008033 0.003306 0.018134 -0.005661 -0.016242 -0.007730 24H 2s 0.011423 0.004455 0.026274 -0.008917 -0.022525 -0.013424 24H 3s -0.004280 0.001174 0.015729 -0.007896 -0.010419 -0.007598 24H 1pz -0.000090 -0.000291 0.001224 0.000198 -0.001672 0.000478 24H 1px -0.000922 0.000165 -0.000546 -0.000071 0.000621 0.000076 24H 1py 0.000053 0.000278 0.003047 -0.000575 -0.002966 -0.000754 25H 1s -0.000061 -0.007048 0.008737 0.006077 -0.016174 0.010092 25H 2s -0.000657 -0.010749 0.011195 0.008501 -0.022797 0.016209 25H 3s -0.004105 -0.002312 0.027024 0.003302 -0.025859 0.000969 25H 1pz 0.000626 0.000447 0.002163 -0.000542 -0.001863 -0.000732 25H 1px 0.000187 -0.000545 0.001304 0.000222 -0.002077 0.000877 25H 1py -0.000789 0.000189 0.001493 -0.000233 -0.001335 -0.000168 26O 1s 0.000159 0.000867 -0.007111 0.000619 0.008558 -0.004630 26O 2s 0.000387 0.002083 -0.017305 0.001516 0.020802 -0.011125 26O 3s -0.000720 -0.003126 0.029814 -0.002580 -0.035185 0.017439 26O 4s -0.000160 -0.004900 0.031078 -0.000519 -0.039558 0.027528 26O 5s 0.000512 -0.016445 0.028269 -0.022348 -0.050294 -0.003129 26O 1pz 0.061047 -0.012074 -0.098488 -0.025876 0.092106 -0.079298 26O 1px 0.035518 -0.004465 0.001180 0.007474 0.000912 0.077815 26O 1py -0.098746 -0.010884 -0.060485 -0.015083 0.057396 -0.027441 26O 2pz 0.050801 -0.009525 -0.082247 -0.021539 0.077980 -0.067559 26O 2px 0.029159 -0.002310 0.003227 0.007317 0.001093 0.065642 26O 2py -0.082776 -0.008147 -0.050006 -0.012561 0.049001 -0.023273 26O 3pz 0.038349 -0.010887 -0.049311 -0.018228 0.044888 -0.044708 26O 3px 0.020790 0.003391 0.013929 0.016499 -0.002502 0.060108 26O 3py -0.063449 -0.004387 -0.023349 -0.004163 0.027579 -0.011419 26O 1dz2 0.000548 -0.000195 -0.000862 -0.000310 0.000719 0.000208 26O 1dxz -0.000375 0.000155 0.000533 0.000199 -0.000503 0.000374 26O 1dyz -0.000437 0.000086 -0.000601 -0.000077 0.000429 -0.000131 26O 1dx2y2 -0.000400 0.000226 0.000315 0.000235 -0.000164 -0.000901 26O 1dxy 0.000895 0.000333 0.000481 0.000329 -0.000440 -0.000312 26O 2dz2 0.002118 -0.000829 -0.003045 -0.001922 0.002114 -0.000579 26O 2dxz -0.000572 -0.000318 0.001039 0.000608 -0.000966 0.001456 26O 2dyz -0.002036 -0.000346 -0.003794 -0.001261 0.002007 -0.002614 26O 2dx2y2 -0.000002 0.000726 0.000551 0.000332 -0.000923 -0.002583 26O 2dxy 0.002682 0.000249 0.000144 0.000551 -0.001249 -0.001221 26O 1f0 0.000205 -0.000045 0.000138 -0.000211 -0.000231 -0.000217 26O 1f+1 0.000475 -0.000130 -0.000292 -0.000069 0.000072 -0.000538 26O 1f-1 0.000429 -0.000041 -0.000820 -0.000232 0.000205 -0.000713 26O 1f+2 0.000774 0.000119 0.000204 0.000214 0.000084 0.000435 26O 1f-2 0.000138 -0.000097 -0.000628 0.000006 0.000434 -0.000209 26O 1f+3 -0.000763 -0.000029 -0.000363 -0.000063 0.000208 -0.000378 26O 1f-3 -0.000014 -0.000025 0.000113 -0.000060 -0.000275 -0.000416 27O 1s 0.000270 -0.007744 0.005769 -0.003105 0.005777 0.007326 27O 2s 0.000649 -0.018784 0.014048 -0.007473 0.014054 0.017602 27O 3s -0.001078 0.031345 -0.024336 0.011586 -0.024075 -0.027487 27O 4s -0.001452 0.036098 -0.024846 0.016203 -0.026172 -0.043326 27O 5s 0.004761 0.046940 -0.020343 0.029817 -0.020227 -0.010404 27O 1pz 0.104035 -0.043236 0.052130 -0.029502 0.053294 0.104590 27O 1px 0.022825 0.000971 0.016809 0.040478 0.020632 -0.100647 27O 1py 0.069376 0.057324 -0.078875 0.022522 -0.086713 -0.129897 27O 2pz 0.086971 -0.036283 0.043956 -0.025294 0.045018 0.088991 27O 2px 0.018378 -0.000217 0.011458 0.030914 0.015360 -0.083424 27O 2py 0.058469 0.048051 -0.065681 0.019849 -0.072521 -0.110854 27O 3pz 0.065364 -0.015852 0.028170 -0.010337 0.031133 0.061583 27O 3px 0.011245 0.012665 -0.000495 0.022790 0.007554 -0.073208 27O 3py 0.043510 0.021151 -0.039318 0.006799 -0.048824 -0.073378 27O 1dz2 0.000730 0.000029 0.000278 0.000417 0.000454 -0.000565 27O 1dxz -0.000801 -0.000063 -0.000194 0.000309 -0.000256 -0.000744 27O 1dyz -0.000127 0.000664 -0.000728 0.000097 -0.000578 -0.000645 27O 1dx2y2 -0.000124 0.000351 -0.000728 -0.000846 -0.000802 0.001100 27O 1dxy -0.000657 0.000213 0.000407 0.000076 0.000700 0.000437 27O 2dz2 0.003053 0.000510 -0.000363 0.000520 0.000629 -0.002010 27O 2dxz -0.001923 -0.000404 -0.000322 0.000734 -0.000024 -0.001956 27O 2dyz -0.000607 0.002140 -0.003501 0.000164 -0.002146 -0.005060 27O 2dx2y2 0.000874 0.001229 -0.001670 -0.000562 -0.002270 0.000535 27O 2dxy -0.001978 0.000685 -0.000057 -0.000471 0.000723 0.000929 27O 1f0 -0.000513 0.000443 -0.000541 0.000214 -0.000203 -0.000618 27O 1f+1 0.000322 -0.000057 -0.000096 -0.000248 -0.000149 0.000581 27O 1f-1 -0.000684 0.000054 -0.000065 0.000001 0.000037 -0.000246 27O 1f+2 0.000568 0.000250 -0.000304 -0.000039 -0.000069 -0.000599 27O 1f-2 -0.000644 0.000454 -0.000322 0.000314 -0.000161 -0.000673 27O 1f+3 -0.000673 -0.000484 0.000357 -0.000400 0.000104 0.001079 27O 1f-3 -0.000203 -0.000057 0.000264 0.000126 0.000365 -0.000394 28O 1s 0.000151 -0.001185 -0.007965 0.002083 0.007379 0.004587 28O 2s 0.000369 -0.002843 -0.019366 0.005009 0.017964 0.010995 28O 3s -0.000593 0.004226 0.033090 -0.007714 -0.030978 -0.016801 28O 4s -0.001343 0.006326 0.033784 -0.010741 -0.032037 -0.027313 28O 5s 0.002358 0.020339 0.053306 -0.022916 -0.031691 -0.007282 28O 1pz -0.069329 0.010765 -0.072479 0.008768 0.095217 0.013401 28O 1px -0.044795 -0.005781 -0.039975 0.038432 0.037232 0.099520 28O 1py 0.116755 0.004073 -0.059092 0.012942 0.073218 0.037976 28O 2pz -0.058000 0.007466 -0.060517 0.009479 0.078666 0.012148 28O 2px -0.037633 -0.002935 -0.033826 0.030584 0.033072 0.082905 28O 2py 0.098111 0.003329 -0.049552 0.011017 0.061916 0.032531 28O 3pz -0.042347 0.011434 -0.026558 -0.001116 0.051715 0.001620 28O 3px -0.026695 -0.000312 -0.027193 0.018752 0.027893 0.065972 28O 3py 0.070127 0.004425 -0.027343 0.004577 0.039326 0.019390 28O 1dz2 0.000264 -0.000215 -0.000145 -0.000141 -0.000309 -0.000286 28O 1dxz -0.000526 0.000313 -0.000579 -0.000402 0.001142 -0.000961 28O 1dyz -0.000515 -0.000090 -0.000693 0.000043 0.000277 0.000279 28O 1dx2y2 -0.000754 -0.000042 0.000098 0.000503 -0.000175 0.000952 28O 1dxy 0.001116 0.000151 -0.000562 0.000096 0.000827 0.000170 28O 2dz2 -0.000193 -0.000024 -0.000636 -0.000748 0.000169 -0.000388 28O 2dxz -0.002348 0.000346 -0.001485 0.000177 0.002693 -0.001632 28O 2dyz -0.000682 0.000634 -0.002911 0.000045 0.002197 0.001874 28O 2dx2y2 -0.003204 0.000493 -0.000018 0.000178 -0.000317 0.002436 28O 2dxy 0.003211 0.000484 -0.002010 0.000472 0.001953 0.001221 28O 1f0 -0.001128 -0.000061 -0.000315 0.000216 0.000210 0.000385 28O 1f+1 0.000511 -0.000097 0.000189 -0.000021 -0.000358 0.000272 28O 1f-1 0.000099 0.000033 -0.000924 0.000173 0.000555 0.000584 28O 1f+2 -0.000422 0.000092 0.000506 -0.000285 -0.000127 -0.000811 28O 1f-2 -0.000878 0.000044 -0.000072 0.000062 -0.000130 0.000348 28O 1f+3 -0.000122 0.000031 0.000057 -0.000057 -0.000042 -0.000107 28O 1f-3 -0.000418 -0.000128 0.000103 0.000152 -0.000169 0.000258 29O 1s -0.000120 0.010496 0.004407 0.007664 0.003123 -0.000933 29O 2s -0.000307 0.025275 0.010598 0.018371 0.007442 -0.002291 29O 3s 0.000616 -0.039249 -0.016287 -0.027321 -0.010470 0.004170 29O 4s -0.000588 -0.060358 -0.026463 -0.051578 -0.025302 0.002729 29O 5s 0.008087 -0.051528 -0.018675 -0.018986 0.003557 0.011779 29O 1pz 0.001690 0.016646 0.013109 0.047260 0.027003 0.009976 29O 1px -0.004587 -0.093092 -0.060892 -0.184421 -0.099272 -0.023619 29O 1py -0.002420 -0.190990 -0.095149 -0.218486 -0.106144 -0.008923 29O 2pz 0.001412 0.014467 0.010612 0.039586 0.022675 0.007820 29O 2px -0.003742 -0.077744 -0.051125 -0.153813 -0.083130 -0.019665 29O 2py -0.002185 -0.157742 -0.078733 -0.181346 -0.088873 -0.007638 29O 3pz 0.001675 0.014148 0.010657 0.036081 0.022102 0.011841 29O 3px -0.000861 -0.066632 -0.043095 -0.132878 -0.075803 -0.016976 29O 3py -0.005100 -0.119757 -0.061269 -0.145850 -0.070903 -0.007826 29O 1dz2 -0.000026 -0.000366 -0.000183 -0.000371 -0.000143 0.000017 29O 1dxz -0.000019 0.000350 0.000210 0.000697 0.000461 0.000070 29O 1dyz 0.000003 0.000364 0.000104 0.000182 0.000073 -0.000027 29O 1dx2y2 -0.000020 -0.001703 -0.000956 -0.002531 -0.001407 -0.000234 29O 1dxy 0.000071 -0.000326 -0.000057 0.000330 0.000208 0.000219 29O 2dz2 -0.000448 -0.004011 -0.001881 -0.004404 -0.002252 -0.000127 29O 2dxz 0.000045 0.000559 0.000353 0.001555 0.000750 0.000288 29O 2dyz 0.000084 0.000945 0.000326 -0.000136 -0.000290 -0.000258 29O 2dx2y2 -0.000706 -0.007782 -0.004134 -0.009947 -0.004586 -0.000634 29O 2dxy -0.000076 0.000822 0.001028 0.004376 0.002542 0.001195 29O 1f0 -0.000073 0.000376 0.000242 0.000834 0.000478 0.000150 29O 1f+1 0.000056 -0.000681 -0.000407 -0.001127 -0.000600 -0.000105 29O 1f-1 -0.000022 -0.001024 -0.000565 -0.001270 -0.000640 -0.000050 29O 1f+2 0.000026 -0.000016 -0.000046 -0.000242 -0.000171 -0.000072 29O 1f-2 -0.000093 -0.000761 -0.000361 -0.001040 -0.000571 -0.000088 29O 1f+3 -0.000038 0.001153 0.000549 0.001252 0.000596 0.000026 29O 1f-3 -0.000034 -0.000318 -0.000289 -0.000872 -0.000514 -0.000122 30O 1s -0.000039 -0.005389 0.006973 -0.000124 0.006988 -0.007046 30O 2s -0.000071 -0.013133 0.016943 -0.000322 0.016979 -0.016872 30O 3s -0.000191 0.023035 -0.028691 0.000552 -0.028603 0.025496 30O 4s 0.001199 0.022219 -0.030928 -0.002311 -0.031773 0.042302 30O 5s -0.000068 0.008378 -0.049779 0.029946 -0.052023 0.026355 30O 1pz -0.112777 -0.045623 0.033700 0.012805 0.037065 0.009722 30O 1px -0.021808 -0.047156 0.043665 0.029456 0.038288 -0.172437 30O 1py -0.080728 0.078965 -0.059687 -0.025845 -0.063723 0.032236 30O 2pz -0.094622 -0.036405 0.028756 0.009623 0.032082 0.005944 30O 2px -0.018101 -0.041917 0.036552 0.026085 0.031659 -0.143791 30O 2py -0.067527 0.063754 -0.050361 -0.020876 -0.054554 0.029634 30O 3pz -0.069926 -0.017700 0.011949 0.002211 0.016974 0.008216 30O 3px -0.012102 -0.040613 0.022584 0.033985 0.017109 -0.099737 30O 3py -0.048635 0.035531 -0.025494 -0.009278 -0.032045 0.015137 30O 1dz2 0.000524 0.000192 -0.000258 -0.000082 -0.000155 0.000819 30O 1dxz -0.001051 -0.000626 0.000229 0.000342 0.000321 0.001446 30O 1dyz 0.000176 -0.000076 -0.000391 0.000159 -0.000101 0.000757 30O 1dx2y2 -0.000144 0.000009 0.000006 -0.000042 0.000079 -0.001239 30O 1dxy -0.000953 0.001009 -0.000541 -0.000488 -0.000637 -0.001169 30O 2dz2 0.000181 0.001139 -0.001234 -0.000744 -0.000343 0.002510 30O 2dxz -0.003883 -0.001719 0.000702 0.001257 0.001197 0.001964 30O 2dyz 0.000865 0.002667 -0.001724 -0.001529 0.000043 0.002810 30O 2dx2y2 -0.001287 0.000773 0.000151 0.000090 -0.000150 -0.002567 30O 2dxy -0.002490 0.002732 -0.002115 -0.001912 -0.002016 -0.000371 30O 1f0 -0.000359 0.000407 -0.000348 -0.000134 -0.000145 -0.000040 30O 1f+1 0.000570 0.000099 -0.000223 0.000073 -0.000144 -0.000002 30O 1f-1 0.001335 0.000301 -0.000212 -0.000007 -0.000163 0.000139 30O 1f+2 -0.000221 0.000785 -0.000609 -0.000138 -0.000265 0.000810 30O 1f-2 0.000034 0.000233 -0.000092 -0.000363 0.000255 0.000945 30O 1f+3 -0.000338 -0.000160 -0.000029 0.000303 -0.000203 -0.000527 30O 1f-3 -0.000046 0.000329 -0.000135 -0.000038 -0.000025 0.000913 31O 1s 0.000031 -0.005412 0.006955 0.000116 0.006984 0.007048 31O 2s 0.000052 -0.013190 0.016898 0.000300 0.016967 0.016876 31O 3s 0.000228 0.023136 -0.028614 -0.000506 -0.028580 -0.025505 31O 4s -0.001182 0.022239 -0.030866 0.002286 -0.031787 -0.042303 31O 5s 0.000237 0.009038 -0.049478 -0.029243 -0.051979 -0.026251 31O 1pz -0.112501 0.045498 -0.033877 0.012591 -0.037019 0.009545 31O 1px -0.021920 0.047333 -0.043621 0.029308 -0.038313 -0.172550 31O 1py -0.080654 -0.078873 0.059569 -0.025495 0.063969 0.032126 31O 2pz -0.094394 0.036313 -0.028885 0.009498 -0.032041 0.005813 31O 2px -0.018183 0.042029 -0.036533 0.025901 -0.031692 -0.143895 31O 2py -0.067460 -0.063714 0.050251 -0.020651 0.054756 0.029533 31O 3pz -0.069760 0.017665 -0.012106 0.001994 -0.017014 0.008069 31O 3px -0.012244 0.040609 -0.022636 0.033804 -0.017117 -0.099875 31O 3py -0.048611 -0.035356 0.025471 -0.008722 0.032304 0.015044 31O 1dz2 -0.000521 0.000195 -0.000258 0.000083 -0.000152 -0.000821 31O 1dxz 0.001047 -0.000618 0.000232 -0.000338 0.000323 -0.001445 31O 1dyz -0.000177 -0.000073 -0.000390 -0.000154 -0.000100 -0.000756 31O 1dx2y2 0.000147 0.000006 0.000004 0.000047 0.000078 0.001239 31O 1dxy 0.000953 0.001002 -0.000542 0.000482 -0.000643 0.001170 31O 2dz2 -0.000182 0.001135 -0.001244 0.000736 -0.000346 -0.002518 31O 2dxz 0.003868 -0.001713 0.000705 -0.001260 0.001197 -0.001971 31O 2dyz -0.000873 0.002649 -0.001728 0.001517 0.000043 -0.002807 31O 2dx2y2 0.001300 0.000760 0.000145 -0.000093 -0.000157 0.002564 31O 2dxy 0.002484 0.002721 -0.002117 0.001896 -0.002040 0.000376 31O 1f0 -0.000359 -0.000407 0.000348 -0.000132 0.000146 -0.000041 31O 1f+1 0.000568 -0.000098 0.000225 0.000073 0.000143 -0.000000 31O 1f-1 0.001333 -0.000301 0.000213 -0.000007 0.000162 0.000140 31O 1f+2 -0.000221 -0.000786 0.000608 -0.000136 0.000265 0.000809 31O 1f-2 0.000035 -0.000233 0.000093 -0.000363 -0.000254 0.000945 31O 1f+3 -0.000338 0.000158 0.000026 0.000302 0.000202 -0.000528 31O 1f-3 -0.000045 -0.000330 0.000135 -0.000037 0.000024 0.000915 32O 1s 0.000122 0.010516 0.004419 -0.007652 0.003135 0.000932 32O 2s 0.000311 0.025321 0.010628 -0.018340 0.007471 0.002289 32O 3s -0.000619 -0.039288 -0.016320 0.027241 -0.010499 -0.004165 32O 4s 0.000560 -0.060561 -0.026577 0.051587 -0.025428 -0.002752 32O 5s -0.008016 -0.051590 -0.018705 0.018897 0.003576 -0.011580 32O 1pz 0.001890 -0.020547 -0.015038 0.051278 -0.028994 0.010083 32O 1px -0.004525 0.091808 0.060446 -0.182509 0.098755 -0.023589 32O 1py -0.002392 0.191546 0.095571 -0.218259 0.106500 -0.008809 32O 2pz 0.001587 -0.017694 -0.012219 0.042943 -0.024352 0.007922 32O 2px -0.003687 0.076699 0.050754 -0.152226 0.082697 -0.019633 32O 2py -0.002160 0.158192 0.079101 -0.181164 0.089171 -0.007551 32O 3pz 0.002207 -0.016377 -0.011781 0.038359 -0.023276 0.011891 32O 3px -0.000698 0.065910 0.042872 -0.131706 0.075514 -0.017052 32O 3py -0.005051 0.120020 0.061487 -0.145600 0.071114 -0.007560 32O 1dz2 0.000026 -0.000370 -0.000183 0.000363 -0.000137 -0.000019 32O 1dxz 0.000020 0.000346 0.000206 -0.000675 0.000449 -0.000066 32O 1dyz -0.000004 0.000300 0.000070 -0.000098 0.000033 0.000033 32O 1dx2y2 0.000020 -0.001710 -0.000962 0.002535 -0.001416 0.000237 32O 1dxy -0.000071 -0.000354 -0.000071 -0.000295 0.000191 -0.000216 32O 2dz2 0.000461 -0.004038 -0.001896 0.004372 -0.002233 0.000109 32O 2dxz -0.000065 0.000520 0.000320 -0.001441 0.000690 -0.000265 32O 2dyz -0.000035 0.000665 0.000189 0.000445 -0.000440 0.000277 32O 2dx2y2 0.000694 -0.007824 -0.004173 0.009990 -0.004630 0.000630 32O 2dxy 0.000089 0.000743 0.000992 -0.004285 0.002509 -0.001204 32O 1f0 -0.000068 -0.000422 -0.000266 0.000884 -0.000504 0.000153 32O 1f+1 0.000063 0.000652 0.000394 -0.001088 0.000583 -0.000104 32O 1f-1 -0.000022 0.001022 0.000563 -0.001253 0.000634 -0.000045 32O 1f+2 0.000025 -0.000013 0.000033 -0.000214 0.000158 -0.000074 32O 1f-2 -0.000094 0.000798 0.000383 -0.001092 0.000600 -0.000091 32O 1f+3 -0.000038 -0.001146 -0.000548 0.001244 -0.000595 0.000027 32O 1f-3 -0.000033 0.000296 0.000277 -0.000838 0.000498 -0.000118 33O 1s -0.000134 -0.001213 -0.007968 -0.002111 0.007359 -0.004596 33O 2s -0.000325 -0.002911 -0.019374 -0.005078 0.017915 -0.011017 33O 3s 0.000520 0.004348 0.033112 0.007833 -0.030887 0.016834 33O 4s 0.001258 0.006389 0.033731 0.010838 -0.031971 0.027368 33O 5s -0.002584 0.020508 0.053504 0.023299 -0.031692 0.007391 33O 1pz -0.069691 -0.010799 0.072055 0.008346 -0.094919 0.013550 33O 1px -0.044741 0.006007 0.039829 0.038383 -0.036976 0.099529 33O 1py 0.116521 -0.004124 0.059277 0.012672 -0.073326 0.037458 33O 2pz -0.058319 -0.007490 0.060164 0.009167 -0.078422 0.012279 33O 2px -0.037576 0.003121 0.033699 0.030497 -0.032857 0.082907 33O 2py 0.097916 -0.003349 0.049705 0.010813 -0.061982 0.032095 33O 3pz -0.042472 -0.011633 0.026256 -0.001650 -0.051631 0.001761 33O 3px -0.026624 0.000491 0.027091 0.018824 -0.027660 0.065938 33O 3py 0.069943 -0.004651 0.027396 0.004107 -0.039544 0.019046 33O 1dz2 -0.000265 -0.000212 -0.000145 0.000136 -0.000304 0.000288 33O 1dxz 0.000533 0.000318 -0.000572 0.000411 0.001142 0.000960 33O 1dyz 0.000515 -0.000091 -0.000691 -0.000048 0.000275 -0.000283 33O 1dx2y2 0.000752 -0.000046 0.000098 -0.000503 -0.000178 -0.000953 33O 1dxy -0.001118 0.000152 -0.000564 -0.000090 0.000829 -0.000164 33O 2dz2 0.000186 -0.000025 -0.000633 0.000744 0.000167 0.000399 33O 2dxz 0.002378 0.000371 -0.001458 -0.000150 0.002698 0.001623 33O 2dyz 0.000688 0.000648 -0.002891 -0.000029 0.002193 -0.001873 33O 2dx2y2 0.003196 0.000465 -0.000023 -0.000203 -0.000338 -0.002447 33O 2dxy -0.003210 0.000494 -0.002008 -0.000449 0.001963 -0.001197 33O 1f0 -0.001127 0.000064 0.000311 0.000215 -0.000205 0.000387 33O 1f+1 0.000515 0.000097 -0.000187 -0.000020 0.000356 0.000268 33O 1f-1 0.000093 -0.000033 0.000923 0.000171 -0.000555 0.000582 33O 1f+2 -0.000425 -0.000093 -0.000507 -0.000286 0.000126 -0.000809 33O 1f-2 -0.000876 -0.000046 0.000068 0.000062 0.000131 0.000351 33O 1f+3 -0.000122 -0.000033 -0.000059 -0.000059 0.000041 -0.000108 33O 1f-3 -0.000420 0.000128 -0.000104 0.000153 0.000170 0.000261 34O 1s -0.000287 -0.007774 0.005752 0.003134 0.005762 -0.007339 34O 2s -0.000691 -0.018858 0.014007 0.007542 0.014018 -0.017632 34O 3s 0.001148 0.031472 -0.024259 -0.011708 -0.024012 0.027534 34O 4s 0.001517 0.036194 -0.024831 -0.016298 -0.026150 0.043396 34O 5s -0.004345 0.047265 -0.020017 -0.030226 -0.020085 0.010476 34O 1pz 0.104166 0.043151 -0.051861 -0.029425 -0.053107 0.104859 34O 1px 0.022760 -0.001235 -0.016904 0.040569 -0.020898 -0.100671 34O 1py 0.069126 -0.057391 0.078861 0.022363 0.086735 -0.129831 34O 2pz 0.087086 0.036204 -0.043730 -0.025232 -0.044862 0.089215 34O 2px 0.018363 0.000017 -0.011530 0.030939 -0.015570 -0.083452 34O 2py 0.058245 -0.048126 0.065665 0.019749 0.072528 -0.110801 34O 3pz 0.065389 0.015767 -0.028037 -0.010247 -0.031065 0.061765 34O 3px 0.011259 -0.012821 0.000431 0.022987 -0.007781 -0.073166 34O 3py 0.043407 -0.020982 0.039355 0.006353 0.048952 -0.073284 34O 1dz2 -0.000729 0.000035 0.000278 -0.000421 0.000459 0.000565 34O 1dxz 0.000803 -0.000062 -0.000190 -0.000308 -0.000251 0.000747 34O 1dyz 0.000127 0.000663 -0.000728 -0.000097 -0.000580 0.000646 34O 1dx2y2 0.000124 0.000344 -0.000731 0.000847 -0.000808 -0.001100 34O 1dxy 0.000658 0.000214 0.000408 -0.000082 0.000703 -0.000436 34O 2dz2 -0.003055 0.000516 -0.000371 -0.000517 0.000628 0.002013 34O 2dxz 0.001931 -0.000404 -0.000316 -0.000739 -0.000012 0.001963 34O 2dyz 0.000619 0.002128 -0.003501 -0.000156 -0.002151 0.005056 34O 2dx2y2 -0.000858 0.001206 -0.001687 0.000581 -0.002294 -0.000533 34O 2dxy 0.001971 0.000689 -0.000058 0.000462 0.000729 -0.000927 34O 1f0 -0.000514 -0.000442 0.000540 0.000213 0.000201 -0.000619 34O 1f+1 0.000321 0.000057 0.000097 -0.000248 0.000150 0.000582 34O 1f-1 -0.000684 -0.000054 0.000064 0.000001 -0.000037 -0.000247 34O 1f+2 0.000568 -0.000250 0.000306 -0.000041 0.000071 -0.000597 34O 1f-2 -0.000647 -0.000454 0.000320 0.000313 0.000159 -0.000674 34O 1f+3 -0.000673 0.000487 -0.000356 -0.000400 -0.000101 0.001078 34O 1f-3 -0.000202 0.000058 -0.000263 0.000126 -0.000366 -0.000396 35O 1s -0.000155 0.000833 -0.007135 -0.000583 0.008545 0.004635 35O 2s -0.000376 0.002001 -0.017364 -0.001428 0.020770 0.011140 35O 3s 0.000694 -0.002994 0.029902 0.002441 -0.035123 -0.017463 35O 4s 0.000184 -0.004774 0.031206 0.000359 -0.039556 -0.027546 35O 5s -0.000922 -0.015747 0.028608 0.021287 -0.049879 0.002999 35O 1pz 0.060744 0.012033 0.098357 -0.025423 -0.091730 -0.079186 35O 1px 0.035374 0.004158 -0.001435 0.007623 -0.000907 0.077622 35O 1py -0.098117 0.010996 0.060451 -0.014857 -0.057558 -0.026982 35O 2pz 0.050532 0.009491 0.082146 -0.021192 -0.077666 -0.067470 35O 2px 0.029019 0.002102 -0.003405 0.007339 -0.001069 0.065473 35O 2py -0.082260 0.008263 0.049987 -0.012426 -0.049109 -0.022888 35O 3pz 0.038204 0.010813 0.049124 -0.017734 -0.044622 -0.044566 35O 3px 0.020568 -0.003363 -0.013954 0.016341 0.002599 0.059958 35O 3py -0.063106 0.004427 0.023291 -0.003847 -0.027737 -0.011074 35O 1dz2 -0.000547 -0.000188 -0.000857 0.000303 0.000722 -0.000207 35O 1dxz 0.000370 0.000155 0.000532 -0.000193 -0.000499 -0.000374 35O 1dyz 0.000436 0.000085 -0.000603 0.000082 0.000431 0.000133 35O 1dx2y2 0.000395 0.000217 0.000309 -0.000231 -0.000165 0.000896 35O 1dxy -0.000886 0.000329 0.000476 -0.000320 -0.000445 0.000318 35O 2dz2 -0.002112 -0.000832 -0.003044 0.001918 0.002103 0.000577 35O 2dxz 0.000564 -0.000316 0.001036 -0.000602 -0.000956 -0.001459 35O 2dyz 0.002031 -0.000331 -0.003787 0.001233 0.002019 0.002600 35O 2dx2y2 -0.000015 0.000721 0.000551 -0.000335 -0.000924 0.002570 35O 2dxy -0.002662 0.000259 0.000148 -0.000554 -0.001255 0.001236 35O 1f0 0.000206 0.000045 -0.000137 -0.000212 0.000230 -0.000217 35O 1f+1 0.000474 0.000130 0.000292 -0.000067 -0.000070 -0.000537 35O 1f-1 0.000428 0.000039 0.000820 -0.000230 -0.000205 -0.000714 35O 1f+2 0.000770 -0.000120 -0.000206 0.000213 -0.000081 0.000433 35O 1f-2 0.000138 0.000099 0.000628 0.000008 -0.000431 -0.000208 35O 1f+3 -0.000758 0.000033 0.000365 -0.000062 -0.000209 -0.000374 35O 1f-3 -0.000017 0.000025 -0.000112 -0.000060 0.000274 -0.000418 102 103 104 105 106 107 -0.31053 -0.30466 -0.30312 -0.30301 -0.30265 -0.29148 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s 0.000249 -0.001190 0.000209 -0.002893 0.000115 0.000440 0Rh 2s -0.000928 0.004489 -0.000797 0.010958 -0.000440 -0.001693 0Rh 3s 0.000865 -0.004104 0.000717 -0.009953 0.000393 0.001498 0Rh 4s 0.003932 -0.019089 0.003389 -0.046622 0.001875 0.007236 0Rh 5s -0.002814 0.014342 -0.002598 0.035247 -0.001456 -0.005722 0Rh 6s -0.007006 0.031950 -0.005500 0.077477 -0.002960 -0.011129 0Rh 7s 0.014510 -0.052807 0.011416 -0.123253 0.005515 0.006779 0Rh 8s -0.017915 0.035109 -0.010954 0.043965 -0.005990 0.008984 0Rh 1pz 0.003728 0.012491 0.003957 -0.004259 -0.005697 -0.003256 0Rh 1px 0.004855 0.002269 0.002326 -0.001449 -0.001204 -0.001254 0Rh 1py -0.011414 0.003754 -0.005947 -0.005959 -0.002875 0.005417 0Rh 2pz -0.012616 -0.042280 -0.013395 0.014435 0.019270 0.011037 0Rh 2px -0.016434 -0.007707 -0.007866 0.004846 0.004072 0.004249 0Rh 2py 0.038636 -0.012709 0.020119 0.020167 0.009729 -0.018362 0Rh 3pz 0.009882 0.033237 0.010508 -0.011708 -0.014908 -0.008849 0Rh 3px 0.012885 0.006519 0.006062 -0.002789 -0.003132 -0.003334 0Rh 3py -0.030378 0.010075 -0.015587 -0.015759 -0.007587 0.014704 0Rh 4pz 0.017627 0.058537 0.018583 -0.018916 -0.027164 -0.015144 0Rh 4px 0.022960 0.009334 0.011262 -0.009788 -0.005848 -0.006350 0Rh 4py -0.053524 0.017307 -0.028554 -0.028301 -0.013500 0.025306 0Rh 5pz -0.002455 -0.006335 -0.001272 0.001900 0.001047 0.003135 0Rh 5px -0.002554 -0.000819 -0.000618 0.002240 0.000706 0.002988 0Rh 5py 0.005725 -0.001788 0.001966 0.002646 0.000100 -0.005199 0Rh 6pz -0.009992 -0.050524 -0.019837 -0.004134 0.048696 -0.030369 0Rh 6px -0.021049 0.015144 -0.022770 0.057522 0.004263 -0.026169 0Rh 6py 0.051938 -0.008033 0.036418 0.042128 0.026957 0.044130 0Rh 1dz2 0.007048 0.046909 0.005820 0.001322 -0.010835 -0.009973 0Rh 1dxz -0.026775 -0.058480 -0.014639 0.035715 0.012188 0.024181 0Rh 1dyz -0.047002 0.002415 -0.011933 0.010044 0.000720 0.018841 0Rh 1dx2y2 -0.035274 -0.023885 -0.007261 -0.019435 0.002694 0.017610 0Rh 1dxy 0.077133 -0.031122 0.022161 0.018357 0.007136 -0.043316 0Rh 2dz2 -0.000129 -0.001298 -0.000112 -0.000071 0.000235 0.000290 0Rh 2dxz 0.000740 0.001593 0.000369 -0.001052 -0.000227 -0.000739 0Rh 2dyz 0.001288 -0.000071 0.000286 -0.000306 -0.000028 -0.000575 0Rh 2dx2y2 0.000884 0.000708 0.000119 0.000600 -0.000068 -0.000525 0Rh 2dxy -0.002027 0.000888 -0.000503 -0.000440 -0.000121 0.001281 0Rh 3dz2 -0.010641 -0.068652 -0.008730 -0.001678 0.016125 0.014593 0Rh 3dxz 0.039225 0.085974 0.021625 -0.052126 -0.018323 -0.035346 0Rh 3dyz 0.068697 -0.003444 0.017651 -0.014403 -0.001036 -0.027509 0Rh 3dx2y2 0.052029 0.034755 0.010971 0.028146 -0.003961 -0.025739 0Rh 3dxy -0.113613 0.045613 -0.032990 -0.027193 -0.010778 0.063519 0Rh 4dz2 -0.013280 -0.092086 -0.010882 -0.003672 0.020490 0.019816 0Rh 4dxz 0.052604 0.113390 0.028276 -0.070966 -0.022433 -0.047847 0Rh 4dyz 0.092864 -0.004903 0.023012 -0.020399 -0.001477 -0.037503 0Rh 4dx2y2 0.068823 0.047651 0.013368 0.039870 -0.005208 -0.035124 0Rh 4dxy -0.150838 0.060993 -0.042391 -0.035145 -0.013056 0.085868 0Rh 5dz2 -0.011122 -0.063708 -0.009846 0.002125 0.017253 0.013016 0Rh 5dxz 0.036105 0.084254 0.021172 -0.045395 -0.021391 -0.031364 0Rh 5dyz 0.061789 -0.002603 0.017401 -0.011668 -0.000819 -0.023927 0Rh 5dx2y2 0.048877 0.030188 0.012849 0.020849 -0.003917 -0.022822 0Rh 5dxy -0.105316 0.042486 -0.033365 -0.027608 -0.012615 0.055614 0Rh 1f0 0.003696 0.000513 -0.002404 -0.001942 0.001515 -0.005161 0Rh 1f+1 0.000605 0.001678 -0.002195 0.001258 0.002881 -0.000202 0Rh 1f-1 0.001977 -0.004575 -0.000807 0.002171 -0.003175 -0.001312 0Rh 1f+2 0.003059 0.003094 -0.001606 0.001341 -0.000881 -0.005302 0Rh 1f-2 0.000741 -0.000525 0.000604 0.002358 -0.001376 -0.004198 0Rh 1f+3 -0.000624 -0.000453 -0.001992 0.002700 -0.000858 0.003980 0Rh 1f-3 -0.000842 0.001339 0.002870 0.000911 0.002434 -0.001163 1Rh 1s -0.000240 0.001196 -0.000571 0.002840 -0.000184 0.000446 1Rh 2s 0.000893 -0.004514 0.002160 -0.010759 0.000694 -0.001714 1Rh 3s -0.000833 0.004127 -0.001967 0.009770 -0.000636 0.001518 1Rh 4s -0.003783 0.019197 -0.009193 0.045773 -0.002952 0.007329 1Rh 5s 0.002699 -0.014425 0.006921 -0.034616 0.002201 -0.005788 1Rh 6s 0.006768 -0.032123 0.015380 -0.076034 0.005039 -0.011297 1Rh 7s -0.014344 0.052866 -0.021780 0.121868 -0.007258 0.007081 1Rh 8s 0.018068 -0.034781 0.000774 -0.045814 -0.001333 0.008837 1Rh 1pz 0.003711 0.012575 -0.002685 -0.004572 0.006035 0.003249 1Rh 1px 0.004839 0.002274 -0.001871 -0.001887 0.001362 0.001256 1Rh 1py -0.011409 0.003747 0.007319 -0.003813 0.003334 -0.005426 1Rh 2pz -0.012558 -0.042565 0.009081 0.015496 -0.020414 -0.011012 1Rh 2px -0.016378 -0.007726 0.006343 0.006329 -0.004599 -0.004257 1Rh 2py 0.038620 -0.012688 -0.024763 0.012907 -0.011281 0.018394 1Rh 3pz 0.009836 0.033460 -0.007018 -0.012544 0.015842 0.008830 1Rh 3px 0.012838 0.006534 -0.005137 -0.003969 0.003444 0.003346 1Rh 3py -0.030366 0.010060 0.019223 -0.010124 0.008800 -0.014728 1Rh 4pz 0.017546 0.058935 -0.012907 -0.020395 0.028649 0.015107 1Rh 4px 0.022892 0.009362 -0.008331 -0.011799 0.006888 0.006343 1Rh 4py -0.053500 0.017271 0.035057 -0.018035 0.015682 -0.025351 1Rh 5pz -0.002434 -0.006355 0.000705 0.002076 -0.001209 -0.003119 1Rh 5px -0.002568 -0.000828 0.000014 0.002264 -0.000904 -0.002965 1Rh 5py 0.005724 -0.001787 -0.002611 0.001964 -0.000324 0.005201 1Rh 6pz -0.010338 -0.051238 0.020598 -0.004026 -0.047700 0.030119 1Rh 6px -0.021008 0.015055 0.006680 0.060466 -0.010662 0.026138 1Rh 6py 0.052019 -0.007953 -0.046259 0.028323 -0.030372 -0.043946 1Rh 1dz2 -0.007037 -0.046880 0.005647 -0.000796 -0.010285 -0.010032 1Rh 1dxz 0.026690 0.058847 -0.004383 -0.037137 0.015518 0.024128 1Rh 1dyz 0.046950 -0.002278 -0.008888 -0.012854 0.001872 0.018803 1Rh 1dx2y2 0.035128 0.023757 -0.012260 0.016916 0.000717 0.017530 1Rh 1dxy -0.077204 0.031083 0.026448 -0.010851 0.008293 -0.043310 1Rh 2dz2 0.000129 0.001296 -0.000118 0.000062 0.000216 0.000292 1Rh 2dxz -0.000737 -0.001602 0.000068 0.001090 -0.000327 -0.000738 1Rh 2dyz -0.001287 0.000067 0.000197 0.000370 -0.000061 -0.000575 1Rh 2dx2y2 -0.000880 -0.000703 0.000276 -0.000549 -0.000005 -0.000523 1Rh 2dxy 0.002030 -0.000887 -0.000609 0.000272 -0.000147 0.001281 1Rh 3dz2 0.010625 0.068615 -0.008402 0.000888 0.015345 0.014678 1Rh 3dxz -0.039101 -0.086518 0.006652 0.054220 -0.023178 -0.035269 1Rh 3dyz -0.068620 0.003244 0.013264 0.018579 -0.002696 -0.027452 1Rh 3dx2y2 -0.051813 -0.034571 0.018196 -0.024384 -0.001105 -0.025623 1Rh 3dxy 0.113716 -0.045557 -0.039328 0.016012 -0.012496 0.063509 1Rh 4dz2 0.013263 0.092017 -0.010847 0.002662 0.019304 0.019934 1Rh 4dxz -0.052444 -0.114095 0.007913 0.073744 -0.029074 -0.047745 1Rh 4dyz -0.092766 0.004633 0.016875 0.025769 -0.003790 -0.037432 1Rh 4dx2y2 -0.068538 -0.047389 0.023672 -0.035078 -0.001134 -0.034964 1Rh 4dxy 0.150985 -0.060914 -0.050618 0.020834 -0.015254 0.085860 1Rh 5dz2 0.011096 0.063707 -0.008495 -0.002931 0.016881 0.013088 1Rh 5dxz -0.035966 -0.084791 0.008091 0.047323 -0.025526 -0.031280 1Rh 5dyz -0.061699 0.002411 0.013708 0.015906 -0.002263 -0.023857 1Rh 5dx2y2 -0.048676 -0.030066 0.018031 -0.016909 -0.001875 -0.022733 1Rh 5dxy 0.105374 -0.042449 -0.039756 0.016157 -0.014431 0.055580 1Rh 1f0 0.003707 0.000487 0.002854 -0.001382 -0.001353 0.005155 1Rh 1f+1 0.000620 0.001636 0.001827 0.001518 -0.003032 0.000212 1Rh 1f-1 0.001992 -0.004565 0.000123 0.002604 0.002970 0.001320 1Rh 1f+2 0.003050 0.003090 0.001187 0.001784 0.000699 0.005304 1Rh 1f-2 0.000738 -0.000522 -0.001223 0.002224 0.001145 0.004206 1Rh 1f+3 -0.000615 -0.000460 0.001181 0.003222 0.000564 -0.003966 1Rh 1f-3 -0.000852 0.001327 -0.002970 -0.000132 -0.002486 0.001161 2C 1s 0.001429 -0.007427 -0.000460 0.003969 -0.000090 -0.000163 2C 2s 0.003185 -0.016569 -0.001025 0.008860 -0.000179 -0.000364 2C 3s -0.006157 0.030816 0.001834 -0.016396 -0.000015 0.000513 2C 4s -0.002395 0.019728 0.001379 -0.010746 0.002201 0.001358 2C 5s -0.009149 0.060918 0.002422 -0.044395 -0.014804 -0.007497 2C 1pz -0.033201 0.099275 0.000552 -0.037117 0.008220 -0.000959 2C 1px 0.001976 0.007757 0.002901 -0.047833 -0.017279 0.000993 2C 1py 0.005043 0.063419 0.011260 -0.034859 -0.001814 0.005781 2C 2pz -0.026619 0.078942 0.000766 -0.028356 0.005747 0.000616 2C 2px 0.001847 0.005937 0.002626 -0.040544 -0.012845 0.000739 2C 2py 0.006489 0.049629 0.007807 -0.027595 -0.001523 0.003521 2C 3pz -0.011722 0.043204 -0.013311 -0.019371 0.001739 -0.012631 2C 3px -0.000515 0.010795 0.006998 -0.018625 -0.003364 0.004373 2C 3py -0.001915 0.026131 0.022834 -0.012874 -0.001971 0.014168 2C 1dz2 0.000205 0.002929 0.000406 -0.001764 -0.000085 0.000202 2C 1dxz 0.000124 0.002523 -0.000068 0.000908 0.000848 -0.000059 2C 1dyz -0.000938 0.003623 0.000034 -0.003011 -0.000382 -0.000043 2C 1dx2y2 0.001471 -0.002063 -0.000244 -0.000450 -0.000643 -0.000175 2C 1dxy -0.001303 0.000870 0.000318 0.000503 0.000361 0.000225 2C 2dz2 0.001246 0.001183 0.000449 -0.001138 -0.001568 0.000455 2C 2dxz 0.000353 0.001912 0.000151 0.001520 0.002852 -0.000274 2C 2dyz -0.000515 0.001659 -0.000469 -0.001176 -0.000377 -0.000168 2C 2dx2y2 0.001584 -0.002353 -0.000220 0.000748 -0.000226 -0.000451 2C 2dxy -0.001259 0.000556 0.000667 0.001484 0.001870 0.000883 2C 1f0 0.000326 0.000054 0.000314 -0.000287 -0.000310 0.000176 2C 1f+1 -0.000184 0.000800 -0.000172 -0.000104 0.000291 -0.000109 2C 1f-1 -0.000025 0.000427 -0.000130 -0.000406 -0.000088 -0.000046 2C 1f+2 0.000201 -0.000434 -0.000115 0.000295 0.000098 -0.000100 2C 1f-2 -0.000006 0.000171 0.000222 0.000483 0.000444 0.000127 2C 1f+3 0.000000 0.000267 0.000294 -0.000026 0.000052 0.000179 2C 1f-3 -0.000126 0.000415 0.000087 -0.000519 -0.000203 0.000069 3C 1s -0.007112 -0.002374 0.000042 -0.000485 0.000087 -0.000048 3C 2s -0.015867 -0.005279 0.000072 -0.001073 0.000196 -0.000111 3C 3s 0.029657 0.009988 0.000310 0.002125 -0.000555 0.000241 3C 4s 0.016685 0.004817 -0.002462 0.000857 0.000597 0.000290 3C 5s 0.061815 0.013431 0.016383 -0.011505 -0.006387 -0.003828 3C 1pz 0.055893 0.005892 -0.010753 0.016215 0.004142 0.017441 3C 1px 0.038324 -0.000061 0.030689 -0.014427 0.001905 -0.048161 3C 1py -0.097574 -0.041270 0.008349 -0.006155 0.004170 -0.011800 3C 2pz 0.042772 0.002248 -0.008527 0.013374 0.002662 0.014649 3C 2px 0.030442 -0.001526 0.023559 -0.013233 0.000278 -0.039581 3C 2py -0.075594 -0.032509 0.006155 -0.003968 0.002136 -0.010727 3C 3pz 0.021467 0.003314 0.000998 0.001861 0.007977 0.009292 3C 3px 0.018514 0.003996 0.011288 -0.002528 0.021195 -0.028070 3C 3py -0.046295 -0.014390 0.003043 0.000959 0.014640 -0.004287 3C 1dz2 -0.000688 -0.000163 0.000314 -0.000327 -0.000261 -0.000889 3C 1dxz 0.001577 0.001634 -0.001805 0.000970 0.000672 0.003395 3C 1dyz -0.003294 -0.001587 -0.001039 0.000847 0.000179 0.002090 3C 1dx2y2 -0.003300 0.000093 -0.000173 -0.000564 0.000058 0.000772 3C 1dxy -0.002629 -0.000528 0.000719 -0.000700 0.000237 -0.001904 3C 2dz2 0.000550 0.000529 0.001279 -0.000528 -0.000968 -0.001225 3C 2dxz 0.000797 0.001444 -0.002499 0.000411 0.000810 0.003549 3C 2dyz -0.001978 -0.000875 -0.001813 0.001003 -0.000061 0.001664 3C 2dx2y2 -0.002234 0.001030 -0.001875 -0.000223 0.000059 0.001124 3C 2dxy -0.000889 -0.000109 0.003189 -0.000711 0.000559 -0.002523 3C 1f0 -0.000192 0.000084 -0.000072 -0.000019 -0.000255 0.000042 3C 1f+1 0.000325 0.000119 0.000260 -0.000113 0.000238 -0.000336 3C 1f-1 -0.000211 -0.000244 -0.000231 0.000207 0.000205 0.000409 3C 1f+2 -0.000033 0.000106 -0.000293 0.000123 0.000101 0.000582 3C 1f-2 -0.000408 -0.000252 0.000440 -0.000164 -0.000236 -0.000678 3C 1f+3 0.000625 0.000295 -0.000466 0.000115 -0.000289 0.000723 3C 1f-3 -0.000753 -0.000024 -0.000640 0.000121 -0.000074 0.000947 4C 1s 0.000313 -0.001481 -0.000144 0.001357 -0.000128 0.000021 4C 2s 0.000700 -0.003407 -0.000359 0.003045 -0.000284 0.000043 4C 3s -0.000507 0.005153 0.000497 -0.004931 0.000264 -0.000438 4C 4s -0.002032 -0.004900 0.001927 -0.002744 0.001302 0.001934 4C 5s 0.013090 -0.037107 0.002073 0.027982 0.008479 0.000343 4C 1pz 0.027243 -0.069386 -0.004692 0.051596 0.003956 -0.001412 4C 1px 0.028698 -0.031220 0.002140 -0.030709 -0.014496 0.000097 4C 1py -0.011917 -0.064561 -0.003902 0.015953 -0.004877 -0.001828 4C 2pz 0.023492 -0.059319 -0.004359 0.039180 -0.001815 0.000170 4C 2px 0.015690 -0.019787 0.003543 -0.014452 0.003717 0.000013 4C 2py -0.008118 -0.051939 -0.002110 0.015790 -0.000915 -0.000327 4C 3pz 0.009309 -0.025173 0.004556 0.003533 -0.002824 -0.003834 4C 3px -0.002733 -0.004006 -0.006191 0.023487 0.001883 -0.005203 4C 3py 0.002045 -0.015205 -0.009230 0.008774 -0.002999 -0.010782 4C 1dz2 -0.001973 0.011080 0.004484 0.000725 0.001828 0.002884 4C 1dxz 0.001992 0.004149 -0.004698 -0.012104 -0.002715 -0.003381 4C 1dyz -0.002403 0.007724 -0.004643 -0.004367 0.000813 -0.003121 4C 1dx2y2 0.003318 -0.010698 -0.006780 0.004209 0.000174 -0.004254 4C 1dxy 0.002524 -0.004875 0.010787 -0.003669 -0.003889 0.006934 4C 2dz2 -0.006899 0.015384 0.007229 -0.000451 -0.000372 0.004534 4C 2dxz -0.000652 0.007803 -0.008323 -0.017047 0.001566 -0.006201 4C 2dyz -0.001869 0.012898 -0.008520 -0.007164 0.001501 -0.005844 4C 2dx2y2 0.002761 -0.018157 -0.012432 0.006808 0.001139 -0.007625 4C 2dxy 0.002593 -0.006937 0.021045 -0.003248 -0.002270 0.012421 4C 1f0 -0.001460 0.001627 0.001913 0.002642 0.001216 0.001201 4C 1f+1 0.000241 -0.000210 -0.001922 -0.003630 -0.001263 -0.001171 4C 1f-1 -0.000261 0.000104 -0.001530 0.001246 0.000556 -0.000824 4C 1f+2 0.000620 -0.001374 -0.001077 -0.001227 -0.000928 -0.000666 4C 1f-2 0.001732 -0.001713 0.001714 -0.003310 -0.001780 0.000959 4C 1f+3 0.000467 -0.001493 0.002641 -0.001979 -0.001891 0.001623 4C 1f-3 0.000454 0.001168 0.000657 -0.000367 -0.000469 0.000447 5C 1s -0.000924 -0.000665 0.000095 -0.000693 0.000100 0.000056 5C 2s -0.002144 -0.001499 0.000217 -0.001527 0.000226 0.000113 5C 3s 0.002428 0.002131 -0.000534 0.002083 -0.000352 -0.000677 5C 4s -0.006976 0.000435 0.001116 0.006703 -0.000224 0.002505 5C 5s -0.047120 -0.012105 -0.003644 0.005521 0.006755 0.003296 5C 1pz -0.054803 0.011762 -0.005018 -0.007983 0.001342 -0.002450 5C 1px -0.040087 -0.013006 0.019537 -0.023553 -0.000537 0.000962 5C 1py 0.078410 0.038639 0.002437 -0.007733 0.000078 0.001893 5C 2pz -0.046714 0.007311 0.002429 -0.004931 0.000744 -0.006831 5C 2px -0.028186 -0.014238 -0.003571 -0.020413 0.002929 0.019979 5C 2py 0.066038 0.031122 -0.001452 -0.006340 -0.000162 0.003333 5C 3pz -0.014333 -0.004193 0.003884 -0.007864 -0.002945 -0.015774 5C 3px -0.007220 -0.007219 -0.006572 0.000253 -0.007514 0.035618 5C 3py 0.026167 0.012447 -0.009733 0.009141 -0.001222 0.010755 5C 1dz2 0.003092 0.002862 -0.002815 0.000748 -0.006971 0.002919 5C 1dxz 0.006995 0.002099 0.004026 -0.001189 0.011263 -0.003938 5C 1dyz -0.004854 -0.003205 0.002614 -0.001981 -0.000568 -0.003678 5C 1dx2y2 -0.013111 -0.004297 0.003734 -0.003826 0.000427 -0.004994 5C 1dxy -0.006064 0.000005 -0.004570 0.004117 0.009665 0.007494 5C 2dz2 0.006025 0.000708 -0.002640 0.003004 -0.013115 0.002421 5C 2dxz 0.013019 0.001870 0.002389 -0.000401 0.021291 -0.003175 5C 2dyz -0.008233 -0.003491 0.000912 -0.004614 -0.000758 -0.002713 5C 2dx2y2 -0.020477 -0.010964 0.001940 -0.005695 0.001777 -0.003837 5C 2dxy -0.011307 -0.000313 0.000008 0.006844 0.017137 0.006631 5C 1f0 0.001148 0.000184 -0.001338 0.000332 -0.002221 0.001669 5C 1f+1 0.001100 -0.000319 0.000840 0.000442 0.002161 -0.000950 5C 1f-1 -0.000003 -0.000341 0.001363 -0.000845 0.001342 -0.001800 5C 1f+2 0.000067 -0.000215 0.002980 -0.001721 0.000818 -0.004427 5C 1f-2 -0.000577 0.000508 -0.001180 0.001116 -0.001609 0.001593 5C 1f+3 0.000585 -0.000489 0.002590 -0.001769 -0.003055 -0.004402 5C 1f-3 -0.001189 -0.001691 0.002689 -0.001500 -0.000855 -0.004107 6C 1s 0.000927 0.000667 -0.000098 0.000695 0.000023 0.000067 6C 2s 0.002151 0.001503 -0.000207 0.001533 0.000056 0.000137 6C 3s -0.002431 -0.002148 0.000040 -0.002160 -0.000111 -0.000715 6C 4s 0.006893 -0.000390 0.002993 -0.006072 0.000423 0.002419 6C 5s 0.046944 0.011952 -0.002194 -0.005662 0.007470 0.003530 6C 1pz -0.054833 0.011803 0.007111 -0.006474 -0.000750 0.002456 6C 1px -0.040086 -0.012826 -0.012431 -0.027701 0.003246 -0.000960 6C 1py 0.078378 0.038664 -0.000125 -0.008072 0.000460 -0.001917 6C 2pz -0.046767 0.007382 -0.000887 -0.005491 -0.000291 0.006842 6C 2px -0.028160 -0.014230 0.008876 -0.018829 -0.000917 -0.019976 6C 2py 0.066042 0.031154 0.003179 -0.005674 0.000535 -0.003340 6C 3pz -0.014332 -0.004202 -0.001833 -0.008388 0.003978 0.015646 6C 3px -0.007412 -0.007228 0.006065 0.002581 0.007390 -0.035598 6C 3py 0.026135 0.012388 0.007104 0.011684 0.000100 -0.010656 6C 1dz2 -0.003089 -0.002901 -0.002407 -0.002162 -0.006818 0.002958 6C 1dxz -0.006986 -0.002033 0.003362 0.003335 0.011051 -0.003998 6C 1dyz 0.004855 0.003186 0.002000 0.002549 -0.000823 -0.003671 6C 1dx2y2 0.013117 0.004273 0.002559 0.004716 -0.000031 -0.004991 6C 1dxy 0.006045 0.000086 -0.003450 -0.004238 0.010099 0.007440 6C 2dz2 -0.005998 -0.000789 -0.001538 -0.004884 -0.012759 0.002473 6C 2dxz -0.013025 -0.001728 0.001865 0.003112 0.021154 -0.003284 6C 2dyz 0.008234 0.003474 -0.000346 0.004581 -0.001230 -0.002698 6C 2dx2y2 0.020479 0.010964 0.000367 0.006161 0.001135 -0.003809 6C 2dxy 0.011331 0.000442 0.001524 -0.004873 0.017702 0.006547 6C 1f0 0.001153 0.000195 0.001159 0.000899 0.002157 -0.001677 6C 1f+1 0.001100 -0.000334 -0.000891 -0.000014 -0.002180 0.000958 6C 1f-1 -0.000006 -0.000345 -0.001063 -0.001311 -0.001229 0.001805 6C 1f+2 0.000060 -0.000205 -0.002390 -0.002539 -0.000594 0.004431 6C 1f-2 -0.000575 0.000515 0.000812 0.001544 0.001474 -0.001598 6C 1f+3 0.000574 -0.000456 -0.002065 -0.002100 0.003266 0.004387 6C 1f-3 -0.001192 -0.001671 -0.002204 -0.002083 0.001050 0.004098 7C 1s -0.000325 0.001499 0.000232 -0.001357 -0.000011 0.000018 7C 2s -0.000727 0.003447 0.000488 -0.003056 -0.000021 0.000035 7C 3s 0.000529 -0.005228 -0.000879 0.004929 -0.000164 -0.000442 7C 4s 0.002219 0.004789 0.001221 0.003216 0.000988 0.002055 7C 5s -0.012775 0.036820 0.009863 -0.025640 0.011078 0.000401 7C 1pz 0.027420 -0.069363 -0.009707 0.050247 -0.008511 0.001488 7C 1px 0.028748 -0.031082 0.005639 -0.028557 0.017761 -0.000201 7C 1py -0.011754 -0.064714 -0.000927 0.016942 0.003710 0.001862 7C 2pz 0.023523 -0.059269 -0.006736 0.038865 -0.001656 -0.000122 7C 2px 0.015738 -0.019810 0.000356 -0.015061 -0.002000 -0.000065 7C 2py -0.008051 -0.052063 -0.002485 0.015930 -0.000281 0.000356 7C 3pz 0.009617 -0.024863 -0.005522 0.002372 0.003031 0.003692 7C 3px -0.002638 -0.004292 -0.000888 0.023848 -0.004120 0.004840 7C 3py 0.002295 -0.015337 0.006438 0.011174 0.002369 0.010719 7C 1dz2 0.001984 -0.011076 0.004416 0.000681 0.001921 0.002858 7C 1dxz -0.001983 -0.004129 -0.007734 0.010064 -0.003802 -0.003322 7C 1dyz 0.002398 -0.007708 -0.005692 0.003035 0.000507 -0.003081 7C 1dx2y2 -0.003359 0.010769 -0.005316 -0.005834 0.000589 -0.004216 7C 1dxy -0.002496 0.004776 0.009487 0.006002 -0.004422 0.006885 7C 2dz2 0.006908 -0.015414 0.006749 0.002372 -0.000366 0.004485 7C 2dxz 0.000630 -0.007724 -0.012668 0.014243 0.000043 -0.006138 7C 2dyz 0.001857 -0.012860 -0.010215 0.004770 0.001005 -0.005776 7C 2dx2y2 -0.002815 0.018264 -0.010007 -0.009768 0.001799 -0.007542 7C 2dxy -0.002554 0.006773 0.019470 0.008461 -0.002933 0.012340 7C 1f0 -0.001456 0.001621 -0.002512 0.001894 -0.001455 -0.001181 7C 1f+1 0.000236 -0.000209 0.002808 -0.002840 0.001590 0.001158 7C 1f-1 -0.000258 0.000087 0.001143 0.001548 -0.000700 0.000817 7C 1f+2 0.000617 -0.001362 0.001332 -0.000798 0.001039 0.000650 7C 1f-2 0.001720 -0.001680 -0.000796 -0.003452 0.002138 -0.000954 7C 1f+3 0.000455 -0.001459 -0.002053 -0.002419 0.002127 -0.001618 7C 1f-3 0.000452 0.001174 -0.000543 -0.000490 0.000505 -0.000448 8C 1s 0.007107 0.002368 -0.000089 0.000481 0.000022 -0.000044 8C 2s 0.015857 0.005267 -0.000219 0.001060 0.000053 -0.000103 8C 3s -0.029647 -0.009973 0.000878 -0.001993 -0.000289 0.000230 8C 4s -0.016630 -0.004766 -0.002193 -0.001426 0.000795 0.000270 8C 5s -0.061607 -0.013390 0.013180 0.015173 -0.007955 -0.003775 8C 1pz 0.055980 0.005772 0.006005 0.018068 -0.006069 -0.017432 8C 1px 0.038358 0.000079 -0.025633 -0.022345 0.000054 0.048147 8C 1py -0.097490 -0.041218 -0.006416 -0.008543 -0.003215 0.011801 8C 2pz 0.042826 0.002144 0.004616 0.014890 -0.004195 -0.014652 8C 2px 0.030477 -0.001411 -0.019127 -0.019103 0.001410 0.039543 8C 2py -0.075482 -0.032446 -0.004916 -0.005659 -0.001469 0.010736 8C 3pz 0.021483 0.003289 -0.001399 0.000683 -0.008602 -0.009251 8C 3px 0.018626 0.003924 -0.009826 -0.007549 -0.020376 0.028129 8C 3py -0.046178 -0.014403 -0.002937 -0.001278 -0.014768 0.004357 8C 1dz2 0.000688 0.000152 0.000200 0.000354 -0.000293 -0.000849 8C 1dxz -0.001576 -0.001637 -0.001488 -0.001341 0.000799 0.003378 8C 1dyz 0.003289 0.001581 -0.000782 -0.001089 0.000269 0.002112 8C 1dx2y2 0.003300 -0.000084 -0.000311 0.000507 0.000003 0.000747 8C 1dxy 0.002635 0.000522 0.000510 0.000907 0.000150 -0.001926 8C 2dz2 -0.000527 -0.000550 0.001085 0.000750 -0.001039 -0.001186 8C 2dxz -0.000799 -0.001443 -0.002314 -0.000982 0.000892 0.003530 8C 2dyz 0.001946 0.000871 -0.001470 -0.001462 0.000069 0.001679 8C 2dx2y2 0.002222 -0.001020 -0.001854 -0.000279 0.000069 0.001098 8C 2dxy 0.000892 0.000089 0.002872 0.001611 0.000425 -0.002554 8C 1f0 -0.000192 0.000085 0.000068 0.000024 0.000256 -0.000039 8C 1f+1 0.000329 0.000118 -0.000217 -0.000201 -0.000222 0.000337 8C 1f-1 -0.000207 -0.000247 0.000169 0.000242 -0.000229 -0.000409 8C 1f+2 -0.000032 0.000101 0.000249 0.000188 -0.000120 -0.000581 8C 1f-2 -0.000403 -0.000245 -0.000385 -0.000253 0.000259 0.000676 8C 1f+3 0.000630 0.000296 0.000411 0.000265 0.000267 -0.000722 8C 1f-3 -0.000746 -0.000022 0.000583 0.000298 0.000052 -0.000949 9C 1s -0.001439 0.007434 0.000666 -0.003940 0.000248 -0.000171 9C 2s -0.003207 0.016584 0.001488 -0.008793 0.000576 -0.000382 9C 3s 0.006194 -0.030847 -0.002808 0.016227 -0.001419 0.000548 9C 4s 0.002477 -0.019749 -0.001704 0.010847 0.001333 0.001374 9C 5s 0.008768 -0.060987 -0.009750 0.042068 -0.019375 -0.007201 9C 1pz -0.033314 0.098917 0.010222 -0.036392 -0.005354 0.000940 9C 1px 0.001829 0.007919 0.009936 -0.044832 0.021867 -0.001005 9C 1py 0.004748 0.064106 -0.001242 -0.036531 0.004895 -0.005883 9C 2pz -0.026743 0.078639 0.007491 -0.027814 -0.003579 -0.000627 9C 2px 0.001711 0.006084 0.008206 -0.038217 0.016764 -0.000826 9C 2py 0.006225 0.050207 0.000094 -0.028580 0.003956 -0.003590 9C 3pz -0.011571 0.042810 0.018308 -0.015106 -0.000208 0.012499 9C 3px -0.000597 0.011018 -0.000604 -0.019207 0.005024 -0.003579 9C 3py -0.002008 0.026673 -0.018556 -0.018454 0.003384 -0.014252 9C 1dz2 -0.000197 -0.002913 -0.000094 0.001787 -0.000244 0.000206 9C 1dxz -0.000112 -0.002514 0.000153 -0.000840 0.000976 -0.000066 9C 1dyz 0.000926 -0.003655 -0.000784 0.002860 -0.000645 -0.000032 9C 1dx2y2 -0.001512 0.002064 -0.000317 0.000290 -0.000697 -0.000166 9C 1dxy 0.001275 -0.000841 0.000410 -0.000313 0.000380 0.000218 9C 2dz2 -0.001223 -0.001207 0.000159 0.001055 -0.001669 0.000459 9C 2dxz -0.000349 -0.001882 0.000489 -0.001160 0.003009 -0.000300 9C 2dyz 0.000505 -0.001653 -0.000765 0.000937 -0.000467 -0.000161 9C 2dx2y2 -0.001619 0.002323 0.000027 -0.000787 -0.000171 -0.000448 9C 2dxy 0.001231 -0.000509 0.001000 -0.001058 0.001996 0.000868 9C 1f0 0.000324 0.000061 -0.000234 -0.000324 0.000338 -0.000176 9C 1f+1 -0.000179 0.000790 0.000203 -0.000084 -0.000284 0.000108 9C 1f-1 -0.000028 0.000430 0.000234 -0.000349 0.000124 0.000043 9C 1f+2 0.000201 -0.000431 0.000030 0.000300 -0.000120 0.000100 9C 1f-2 -0.000008 0.000174 -0.000332 0.000361 -0.000492 -0.000122 9C 1f+3 0.000001 0.000266 -0.000275 -0.000098 -0.000054 -0.000175 9C 1f-3 -0.000129 0.000432 0.000054 -0.000505 0.000253 -0.000071 10H 1s 0.008358 -0.023973 -0.000056 -0.012603 -0.010409 -0.000064 10H 2s 0.013146 -0.038019 -0.000709 -0.019583 -0.015682 -0.000230 10H 3s 0.007264 -0.033653 -0.008884 0.004303 -0.004301 -0.006308 10H 1pz -0.000651 0.002079 -0.000353 -0.001868 -0.000324 -0.000227 10H 1px -0.001040 0.002910 -0.000172 0.000674 0.000848 -0.000139 10H 1py 0.000256 0.001755 0.000638 -0.000910 -0.000167 0.000338 11H 1s 0.011532 -0.009908 0.001193 0.016050 0.003489 0.000908 11H 2s 0.016443 -0.013614 0.000892 0.025853 0.005711 0.001690 11H 3s 0.012320 -0.019098 -0.013863 0.017731 0.006837 -0.010077 11H 1pz -0.000644 0.002624 -0.000177 -0.000198 0.000526 -0.000072 11H 1px 0.000760 -0.000078 0.000602 -0.000109 -0.000275 0.000440 11H 1py -0.000615 0.002687 0.000104 -0.002315 -0.000202 -0.000085 12H 1s -0.010258 -0.011643 -0.003869 0.019285 0.006074 -0.001838 12H 2s -0.015573 -0.017927 -0.005177 0.032057 0.009490 -0.002766 12H 3s -0.006877 -0.022954 0.018425 0.023549 0.005084 0.014937 12H 1pz -0.000489 0.003728 0.000779 -0.002216 -0.000012 0.000467 12H 1px -0.000630 0.000156 -0.000336 -0.000375 -0.000092 -0.000255 12H 1py -0.000757 0.000874 -0.000202 0.001078 0.000579 -0.000230 13H 1s -0.016729 -0.007325 0.017711 -0.012584 -0.001259 -0.029481 13H 2s -0.027688 -0.011773 0.027343 -0.020023 -0.003032 -0.046140 13H 3s -0.025805 -0.009845 0.008860 -0.009886 -0.012643 -0.016394 13H 1pz 0.000413 -0.000434 0.001161 -0.000441 0.000316 -0.001658 13H 1px 0.002749 0.000739 -0.001114 0.001059 0.000127 0.001936 13H 1py -0.002749 -0.001160 -0.000214 0.000082 0.000614 0.000076 14H 1s -0.016701 0.006097 -0.012977 0.003381 -0.000391 0.021549 14H 2s -0.025269 0.009250 -0.020397 0.006569 0.000305 0.034471 14H 3s -0.026544 0.002146 -0.007730 0.002523 0.024147 0.011016 14H 1pz 0.000727 0.000253 -0.000945 0.000678 0.000015 0.001507 14H 1px -0.000060 0.000764 -0.000672 0.000185 -0.000329 0.001058 14H 1py -0.003823 -0.000981 -0.000272 -0.000011 -0.000461 0.000780 15H 1s -0.013979 -0.013249 -0.004118 0.006311 0.002003 0.007395 15H 2s -0.020163 -0.019232 -0.007005 0.010499 0.003138 0.012747 15H 3s -0.020650 -0.015097 -0.007587 0.005590 -0.009057 0.002611 15H 1pz 0.003004 0.001337 -0.000031 -0.000144 -0.000440 -0.000320 15H 1px 0.001221 -0.000068 0.000873 -0.000240 0.000505 -0.001328 15H 1py -0.002146 -0.000600 0.000629 -0.000631 0.000074 -0.001037 16H 1s -0.003682 0.005146 -0.000981 -0.000813 -0.000839 0.001973 16H 2s -0.006703 0.010289 -0.002054 0.000812 -0.004455 0.002051 16H 3s -0.001754 -0.004348 -0.000972 0.004322 0.003858 0.003273 16H 1pz -0.001046 -0.000200 -0.000380 -0.001821 -0.000424 0.000396 16H 1px 0.000997 0.001652 -0.000428 0.003124 -0.000442 -0.000378 16H 1py 0.002169 0.000687 0.000570 0.002655 -0.000407 -0.001141 17H 1s -0.007634 -0.000278 -0.002740 0.001182 0.000310 0.007793 17H 2s -0.011859 -0.000348 -0.007357 0.003834 0.001566 0.008799 17H 3s 0.004036 0.001537 0.003593 0.000064 -0.001060 -0.004567 17H 1pz 0.000906 -0.000329 0.000850 -0.000638 0.000289 -0.001029 17H 1px 0.000957 0.000692 -0.000194 0.003883 -0.000076 -0.000250 17H 1py 0.001496 0.000118 -0.000401 0.002975 0.000415 -0.000430 18H 1s 0.007637 0.000427 -0.002326 -0.001899 0.000501 0.007788 18H 2s 0.011863 0.000562 -0.006110 -0.005575 0.002265 0.008805 18H 3s -0.003911 -0.001646 0.003452 0.000875 -0.001106 -0.004439 18H 1pz 0.000883 -0.000311 -0.000633 -0.000926 -0.000181 0.001021 18H 1px 0.000963 0.000685 -0.000860 0.003765 -0.000292 0.000271 18H 1py 0.001547 0.000128 -0.000434 0.002918 -0.000703 0.000484 19H 1s 0.003864 -0.005086 -0.001250 0.000406 -0.000843 0.002145 19H 2s 0.006972 -0.010275 -0.002040 -0.001874 -0.004159 0.002254 19H 3s 0.001639 0.004390 0.000251 -0.004069 0.004274 0.003110 19H 1pz -0.001097 -0.000217 0.000890 -0.001633 0.000590 -0.000452 19H 1px 0.000971 0.001644 -0.000423 0.003135 0.000118 0.000368 19H 1py 0.002161 0.000733 -0.001262 0.002421 0.000162 0.001147 20H 1s 0.013929 0.013233 -0.002351 -0.007093 0.002649 0.007618 20H 2s 0.020085 0.019207 -0.004064 -0.011860 0.004231 0.013113 20H 3s 0.020607 0.015038 -0.005760 -0.008439 -0.008699 0.002775 20H 1pz 0.003004 0.001334 0.000055 -0.000100 0.000450 0.000345 20H 1px 0.001217 -0.000076 -0.000762 -0.000505 -0.000467 0.001314 20H 1py -0.002150 -0.000603 -0.000444 -0.000789 0.000004 0.001052 21H 1s 0.016714 -0.006085 -0.011548 -0.006702 0.000143 0.021382 21H 2s 0.025290 -0.009220 -0.017839 -0.011667 0.001273 0.034224 21H 3s 0.026474 -0.002049 -0.007199 -0.002118 0.024430 0.010807 21H 1pz 0.000719 0.000254 0.000732 0.000908 -0.000105 -0.001518 21H 1px -0.000053 0.000763 0.000582 0.000377 0.000301 -0.001033 21H 1py -0.003826 -0.000975 0.000256 0.000107 0.000461 -0.000779 22H 1s 0.016759 0.007303 0.013724 0.016754 -0.002825 -0.029521 22H 2s 0.027739 0.011735 0.021032 0.026323 -0.005484 -0.046190 22H 3s 0.025821 0.009749 0.006089 0.010635 -0.013432 -0.016368 22H 1pz 0.000425 -0.000431 -0.000989 -0.000758 -0.000259 0.001643 22H 1px 0.002758 0.000744 0.000799 0.001312 -0.000259 -0.001954 22H 1py -0.002733 -0.001158 0.000198 0.000086 -0.000617 -0.000089 23H 1s 0.010202 0.011915 0.001274 -0.018749 0.007788 -0.001911 23H 2s 0.015515 0.018279 0.003319 -0.030926 0.012371 -0.002917 23H 3s 0.006926 0.022901 0.023832 -0.017104 0.007035 0.014632 23H 1pz -0.000494 0.003742 -0.000135 -0.002323 0.000206 -0.000468 23H 1px -0.000614 0.000164 0.000443 -0.000301 0.000142 0.000255 23H 1py -0.000766 0.000868 -0.000071 0.001019 -0.000684 0.000236 24H 1s -0.011426 0.009842 0.005553 -0.014933 0.005099 0.000876 24H 2s -0.016276 0.013525 0.007934 -0.024349 0.008347 0.001651 24H 3s -0.012285 0.019222 -0.009001 -0.020286 0.008815 -0.010440 24H 1pz -0.000655 0.002610 0.000246 -0.000181 -0.000535 0.000072 24H 1px 0.000756 -0.000064 -0.000567 -0.000195 0.000272 -0.000441 24H 1py -0.000606 0.002701 0.000542 -0.002238 0.000411 0.000084 25H 1s -0.008479 0.023818 -0.003077 0.011065 -0.011824 0.000006 25H 2s -0.013331 0.037828 -0.005342 0.017049 -0.017881 -0.000112 25H 3s -0.007444 0.033680 -0.006477 -0.006875 -0.004064 -0.005803 25H 1pz -0.000641 0.002051 0.000846 -0.001666 0.000493 0.000220 25H 1px -0.001056 0.002891 0.000018 0.000612 -0.000939 0.000139 25H 1py 0.000234 0.001814 -0.000375 -0.001022 0.000237 -0.000343 26O 1s 0.001711 -0.000756 0.000470 -0.006869 -0.002884 0.000190 26O 2s 0.004053 -0.001624 0.001120 -0.016584 -0.006972 0.000453 26O 3s -0.005532 0.000043 -0.001496 0.026815 0.011882 -0.000641 26O 4s -0.011994 0.007084 -0.004621 0.038658 0.010255 -0.001717 26O 5s -0.010895 0.045521 0.001886 0.012162 0.020763 0.002411 26O 1pz 0.039010 0.054441 -0.084780 -0.188253 -0.045605 -0.059409 26O 1px -0.038877 0.088069 -0.063561 0.091358 0.058817 -0.038536 26O 1py -0.029198 0.054173 0.165525 -0.055256 -0.033405 0.105218 26O 2pz 0.032466 0.045262 -0.071397 -0.160816 -0.037354 -0.049921 26O 2px -0.031734 0.069199 -0.053189 0.075912 0.050170 -0.032229 26O 2py -0.022813 0.044030 0.140545 -0.048335 -0.027662 0.088426 26O 3pz 0.026441 0.042793 -0.051559 -0.112375 -0.027421 -0.036089 26O 3px -0.016537 0.024807 -0.037184 0.063940 0.045338 -0.024435 26O 3py -0.020878 0.025580 0.101609 -0.029921 -0.015173 0.065136 26O 1dz2 -0.000702 0.001578 -0.000110 -0.000108 0.000111 0.000070 26O 1dxz -0.000395 -0.000821 0.001015 0.001455 0.000305 0.000662 26O 1dyz 0.000014 0.000035 0.000398 0.000111 -0.000014 0.000158 26O 1dx2y2 0.000218 -0.001718 0.001401 -0.000867 -0.000652 0.000886 26O 1dxy 0.000883 -0.001740 -0.001604 0.000056 0.000157 -0.000964 26O 2dz2 -0.001106 0.004146 -0.001484 -0.003065 0.001116 -0.000622 26O 2dxz -0.001592 -0.001708 0.001810 0.004018 0.001083 0.001249 26O 2dyz 0.000224 0.003161 0.002869 -0.003796 0.000599 0.001055 26O 2dx2y2 -0.000402 -0.002916 0.001824 -0.001299 -0.001762 0.001645 26O 2dxy 0.002076 -0.002016 -0.004616 0.000126 0.000381 -0.002776 26O 1f0 -0.000223 -0.000243 0.000024 -0.000033 -0.000087 0.000098 26O 1f+1 0.000465 -0.000598 -0.000449 -0.000695 -0.000317 -0.000357 26O 1f-1 0.000452 0.000152 -0.000540 -0.000873 -0.000023 -0.000457 26O 1f+2 0.000029 0.000300 -0.000973 0.000229 0.000219 -0.000602 26O 1f-2 0.000142 0.000155 -0.000175 -0.000501 -0.000004 -0.000145 26O 1f+3 -0.000443 -0.000213 0.001270 -0.000233 -0.000234 0.000892 26O 1f-3 0.000500 -0.000674 -0.000202 -0.000287 -0.000284 -0.000168 27O 1s 0.000689 -0.000607 0.003456 -0.002209 -0.000147 0.000821 27O 2s 0.001824 -0.001398 0.008317 -0.005250 -0.000369 0.002065 27O 3s -0.005208 0.001350 -0.013662 0.007369 0.000868 -0.004088 27O 4s -0.000650 0.004288 -0.014970 0.015443 -0.000613 0.002058 27O 5s 0.033822 0.025269 -0.017249 0.016613 0.002074 -0.063628 27O 1pz 0.041780 0.019930 0.089874 -0.042813 0.168517 -0.107845 27O 1px 0.066234 0.043790 -0.062758 0.051790 0.040192 0.062259 27O 1py -0.098696 0.009106 -0.072219 0.046710 0.129769 0.135258 27O 2pz 0.036043 0.015822 0.075532 -0.036133 0.142554 -0.092860 27O 2px 0.051544 0.034042 -0.053616 0.041124 0.034181 0.055052 27O 2py -0.082169 0.008153 -0.060365 0.041252 0.109933 0.115712 27O 3pz 0.029606 0.019649 0.056409 -0.025553 0.102195 -0.072653 27O 3px 0.012277 0.011511 -0.045624 0.020300 0.027748 0.040988 27O 3py -0.063658 0.006966 -0.043207 0.026384 0.077636 0.093054 27O 1dz2 0.001344 0.000380 -0.000168 0.000467 0.000405 -0.000117 27O 1dxz -0.000034 -0.000361 -0.000875 0.000520 -0.001920 0.001297 27O 1dyz -0.000667 0.000070 -0.000243 0.000054 0.000323 0.000061 27O 1dx2y2 -0.002080 -0.001142 0.000577 -0.000694 -0.000694 -0.000754 27O 1dxy 0.001404 0.000025 0.000463 -0.000069 -0.001411 -0.001560 27O 2dz2 0.001146 -0.000207 -0.000225 0.000629 0.003471 0.001073 27O 2dxz 0.000288 -0.001509 -0.002359 0.001399 -0.004371 0.002325 27O 2dyz -0.004865 -0.000312 -0.000787 0.000893 0.000268 0.005380 27O 2dx2y2 -0.005050 -0.001853 0.001265 0.000392 -0.000379 0.001049 27O 2dxy 0.001964 -0.001099 0.001334 -0.000397 -0.003960 -0.001834 27O 1f0 -0.000148 -0.000421 -0.000281 0.000242 -0.000930 0.000577 27O 1f+1 -0.000405 -0.000211 0.000442 -0.000218 0.000228 -0.000335 27O 1f-1 -0.000095 0.000010 -0.000148 -0.000007 -0.000735 0.000140 27O 1f+2 -0.000522 0.000277 0.000025 -0.000024 0.001000 0.000390 27O 1f-2 0.000162 -0.000106 -0.000433 0.000295 -0.000893 0.000596 27O 1f+3 -0.000286 -0.000486 0.000462 -0.000295 -0.001046 -0.000798 27O 1f-3 0.000379 -0.000150 -0.000280 0.000244 -0.000573 0.000088 28O 1s -0.002601 0.004274 -0.000258 0.004226 0.003033 -0.000020 28O 2s -0.006276 0.010435 -0.000605 0.010010 0.007320 -0.000046 28O 3s 0.010163 -0.018489 0.000653 -0.013681 -0.012249 0.000041 28O 4s 0.014303 -0.021516 0.002941 -0.028352 -0.011933 0.000271 28O 5s 0.003364 0.016871 -0.000246 -0.035482 -0.020552 -0.000378 28O 1pz -0.021201 0.136195 0.105726 -0.003667 0.013916 0.066193 28O 1px -0.045107 0.079637 0.056883 0.141068 0.061257 0.038791 28O 1py -0.066837 0.104427 -0.163436 0.020146 0.057553 -0.105417 28O 2pz -0.018794 0.113453 0.088855 0.001004 0.010505 0.055798 28O 2px -0.038346 0.069321 0.048976 0.115239 0.051457 0.032759 28O 2py -0.055543 0.088779 -0.138952 0.018051 0.047906 -0.088912 28O 3pz -0.005594 0.076413 0.063471 0.002646 0.002868 0.041296 28O 3px -0.031815 0.074336 0.036453 0.068145 0.045920 0.023529 28O 3py -0.044978 0.066661 -0.096264 0.007744 0.034771 -0.062791 28O 1dz2 -0.000162 -0.000942 -0.001099 -0.000489 -0.000260 -0.000767 28O 1dxz -0.000103 0.001785 0.000706 -0.001830 -0.000126 0.000266 28O 1dyz 0.000279 0.000061 0.001084 0.000252 -0.000099 0.000707 28O 1dx2y2 -0.000342 -0.000142 0.000487 0.001666 0.000398 0.000249 28O 1dxy -0.000781 0.001166 -0.001626 -0.000113 0.000554 -0.000979 28O 2dz2 -0.001299 -0.000744 -0.001316 -0.000927 -0.001181 -0.001368 28O 2dxz -0.000702 0.004843 0.003040 -0.001694 -0.000883 0.001593 28O 2dyz -0.000523 0.004918 0.001850 0.000202 -0.000944 0.001387 28O 2dx2y2 -0.000628 0.000261 0.003163 0.002786 0.001094 0.001548 28O 2dxy -0.003138 0.004457 -0.004450 -0.000018 0.001068 -0.002745 28O 1f0 0.000103 0.000214 0.001238 0.000537 0.000059 0.000817 28O 1f+1 -0.000528 -0.000320 -0.000863 0.000402 0.000245 -0.000653 28O 1f-1 -0.000529 0.000803 -0.000181 0.000351 0.000131 -0.000175 28O 1f+2 0.000288 -0.000301 0.000437 -0.000791 -0.000389 0.000262 28O 1f-2 0.000240 0.000343 0.001135 0.000311 -0.000068 0.000771 28O 1f+3 0.000082 0.000116 0.000164 -0.000177 -0.000124 0.000138 28O 1f-3 0.000329 -0.000108 0.000655 0.000475 0.000077 0.000474 29O 1s -0.002528 0.001343 -0.000922 0.000884 -0.000171 0.001985 29O 2s -0.006090 0.003303 -0.002237 0.002308 -0.000421 0.004767 29O 3s 0.009533 -0.006077 0.003673 -0.005994 0.000753 -0.007285 29O 4s 0.014475 -0.003507 0.004080 0.005868 0.000281 -0.012662 29O 5s 0.014685 -0.019090 0.010329 -0.033631 0.004009 -0.005394 29O 1pz -0.008346 -0.014212 0.000882 -0.022437 0.002608 0.006110 29O 1px 0.020311 0.023504 -0.008032 0.085877 -0.001864 -0.001462 29O 1py 0.049315 0.007731 0.006406 0.067192 0.000480 -0.032771 29O 2pz -0.007062 -0.011651 0.000513 -0.018654 0.002214 0.004376 29O 2px 0.017414 0.019034 -0.006114 0.071174 -0.001137 -0.001811 29O 2py 0.041364 0.006834 0.005723 0.057306 0.000828 -0.026877 29O 3pz -0.005585 -0.006622 0.004042 -0.019706 -0.003251 0.006456 29O 3px 0.015587 0.021890 -0.005590 0.068987 -0.004181 -0.000351 29O 3py 0.027846 0.007274 -0.001367 0.045618 -0.002628 -0.023765 29O 1dz2 0.000178 0.000206 0.000082 -0.000001 -0.000030 -0.000234 29O 1dxz -0.000253 -0.000342 -0.000036 -0.000290 0.000054 0.000227 29O 1dyz -0.000065 0.000216 0.000025 -0.000059 -0.000089 0.000025 29O 1dx2y2 0.000390 0.000150 -0.000036 0.001071 0.000000 -0.000106 29O 1dxy 0.000371 -0.000168 0.000169 -0.000270 -0.000021 -0.000419 29O 2dz2 0.001127 0.000792 0.000223 0.000876 0.000041 -0.000960 29O 2dxz -0.000765 -0.001057 0.000008 -0.000727 0.000118 0.000750 29O 2dyz -0.000361 0.000742 -0.000397 0.000263 0.000254 0.000001 29O 2dx2y2 0.001629 0.000327 -0.000011 0.003462 0.000047 -0.000850 29O 2dxy 0.001137 -0.001047 0.000648 -0.002056 0.000291 -0.001537 29O 1f0 -0.000120 -0.000173 0.000005 -0.000382 -0.000003 0.000049 29O 1f+1 0.000095 -0.000003 -0.000046 0.000529 0.000018 0.000025 29O 1f-1 0.000308 0.000014 -0.000000 0.000506 -0.000038 -0.000197 29O 1f+2 0.000036 0.000148 -0.000003 0.000142 -0.000017 0.000010 29O 1f-2 0.000330 0.000149 0.000003 0.000443 0.000001 -0.000239 29O 1f+3 -0.000394 -0.000061 -0.000050 -0.000360 0.000016 0.000304 29O 1f-3 0.000143 0.000110 -0.000016 0.000514 0.000000 0.000012 30O 1s 0.002324 0.001901 -0.003641 0.003255 -0.000014 -0.000806 30O 2s 0.005769 0.004611 -0.008775 0.007821 -0.000016 -0.002007 30O 3s -0.011601 -0.007708 0.014562 -0.012062 -0.000248 0.003782 30O 4s -0.008917 -0.010426 0.015513 -0.018744 0.001309 -0.001439 30O 5s 0.028910 -0.001914 0.014611 -0.024191 -0.002109 0.060149 30O 1pz 0.064542 0.046195 -0.032795 -0.010811 -0.177723 0.041427 30O 1px 0.038620 0.055412 -0.123195 0.084785 -0.024822 0.151586 30O 1py -0.112060 -0.037237 0.043175 -0.055250 -0.126568 -0.102162 30O 2pz 0.052997 0.038542 -0.027373 -0.006701 -0.150688 0.035395 30O 2px 0.035800 0.046840 -0.104323 0.070326 -0.020871 0.131138 30O 2py -0.092111 -0.032525 0.035494 -0.048632 -0.107141 -0.087048 30O 3pz 0.025036 0.031609 -0.014486 -0.005861 -0.106875 0.030549 30O 3px 0.052397 0.038033 -0.084288 0.042568 -0.014531 0.102403 30O 3py -0.060822 -0.020990 0.023070 -0.036547 -0.076524 -0.073353 30O 1dz2 0.000004 -0.000688 0.000673 -0.000050 0.001553 -0.000657 30O 1dxz 0.001281 0.000301 0.000231 -0.000679 -0.001456 -0.000374 30O 1dyz 0.000779 0.000389 -0.000175 -0.000186 -0.000129 0.000988 30O 1dx2y2 0.000154 0.000224 -0.000988 0.000879 0.000415 0.001881 30O 1dxy -0.001908 -0.000199 -0.000143 0.000044 -0.001400 -0.000247 30O 2dz2 -0.001958 -0.002735 0.001579 -0.000096 0.002037 -0.003186 30O 2dxz 0.002889 0.001901 0.000181 -0.000436 -0.005325 0.001215 30O 2dyz -0.002322 -0.000192 -0.000032 -0.000783 0.000382 -0.002430 30O 2dx2y2 0.000351 -0.000165 -0.002800 0.001367 -0.000452 0.002732 30O 2dxy -0.005910 -0.001643 0.000057 -0.001987 -0.003679 -0.004288 30O 1f0 -0.000543 -0.000031 -0.000150 -0.000107 -0.000442 -0.000257 30O 1f+1 -0.000200 -0.000563 0.000101 0.000245 0.001016 -0.000173 30O 1f-1 -0.000085 -0.000368 0.000229 0.000135 0.001658 -0.000225 30O 1f+2 -0.000356 -0.000156 0.000306 -0.000411 -0.000385 -0.000766 30O 1f-2 0.000002 0.000084 0.000351 -0.000248 -0.000097 -0.000394 30O 1f+3 0.000037 0.000322 -0.000224 -0.000069 -0.000558 0.000229 30O 1f-3 0.000361 -0.000199 0.000448 -0.000242 0.000050 -0.000433 31O 1s -0.002325 -0.001874 -0.002624 -0.004084 0.000382 -0.000814 31O 2s -0.005770 -0.004544 -0.006332 -0.009817 0.000937 -0.002026 31O 3s 0.011604 0.007594 0.010756 0.015379 -0.001734 0.003815 31O 4s 0.008903 0.010318 0.009860 0.022237 -0.000924 -0.001416 31O 5s -0.028896 0.001704 0.007577 0.026470 -0.004544 0.060173 31O 1pz 0.064522 0.047412 0.031733 0.015961 0.177340 -0.042304 31O 1px 0.038824 0.054974 0.095429 0.116950 0.014220 -0.151578 31O 1py -0.112204 -0.036026 -0.028796 -0.052339 0.132417 0.101454 31O 2pz 0.052962 0.039567 0.025834 0.015763 0.150156 -0.036123 31O 2px 0.035975 0.046476 0.081201 0.097632 0.012018 -0.131131 31O 2py -0.092229 -0.031507 -0.022884 -0.045793 0.112250 0.086449 31O 3pz 0.025090 0.032409 0.013901 0.008897 0.106523 -0.031171 31O 3px 0.052544 0.037727 0.069444 0.065017 0.008802 -0.102426 31O 3py -0.060984 -0.020306 -0.013584 -0.033987 0.080404 0.072992 31O 1dz2 -0.000004 0.000697 0.000612 0.000381 0.001527 -0.000664 31O 1dxz -0.001279 -0.000314 0.000062 0.000570 -0.001520 -0.000366 31O 1dyz -0.000779 -0.000390 -0.000218 0.000115 -0.000140 0.000989 31O 1dx2y2 -0.000156 -0.000216 -0.000721 -0.001071 0.000515 0.001877 31O 1dxy 0.001908 0.000188 -0.000103 -0.000216 -0.001389 -0.000241 31O 2dz2 0.001962 0.002749 0.001469 0.000723 0.001980 -0.003206 31O 2dxz -0.002884 -0.001944 0.000138 -0.000055 -0.005336 0.001237 31O 2dyz 0.002319 0.000197 -0.000257 0.000783 0.000309 -0.002424 31O 2dx2y2 -0.000349 0.000182 -0.002312 -0.002105 -0.000289 0.002720 31O 2dxy 0.005918 0.001614 -0.000413 0.001578 -0.003867 -0.004277 31O 1f0 -0.000544 -0.000029 0.000167 -0.000021 0.000448 0.000256 31O 1f+1 -0.000200 -0.000570 -0.000149 0.000107 -0.001030 0.000179 31O 1f-1 -0.000086 -0.000381 -0.000231 -0.000095 -0.001659 0.000234 31O 1f+2 -0.000358 -0.000152 -0.000189 -0.000440 0.000431 0.000763 31O 1f-2 0.000001 0.000086 -0.000271 -0.000323 0.000126 0.000394 31O 1f+3 0.000038 0.000326 0.000226 0.000049 0.000556 -0.000233 31O 1f-3 0.000360 -0.000199 -0.000366 -0.000357 -0.000018 0.000434 32O 1s 0.002568 -0.001298 -0.000673 -0.001130 -0.000045 0.002014 32O 2s 0.006185 -0.003197 -0.001590 -0.002899 -0.000099 0.004836 32O 3s -0.009673 0.005912 0.002017 0.006883 -0.000002 -0.007377 32O 4s -0.014735 0.003230 0.005606 -0.004417 0.000743 -0.012891 32O 5s -0.014830 0.018967 0.001222 0.035525 0.000034 -0.005439 32O 1pz -0.009162 -0.014349 0.005563 -0.022993 -0.000167 -0.006683 32O 1px 0.020151 0.023507 -0.015183 0.084288 -0.006751 0.001684 32O 1py 0.049866 0.008216 -0.024390 0.062489 -0.006903 0.033407 32O 2pz -0.007755 -0.011783 0.004851 -0.019102 -0.000187 -0.004882 32O 2px 0.017282 0.019033 -0.013111 0.069654 -0.005972 0.001997 32O 2py 0.041833 0.007254 -0.021041 0.053187 -0.006297 0.027420 32O 3pz -0.006081 -0.006626 0.001659 -0.020220 0.005381 -0.006787 32O 3px 0.015546 0.021902 -0.013061 0.067811 -0.002789 0.000558 32O 3py 0.028158 0.007640 -0.011016 0.044246 -0.001908 0.024152 32O 1dz2 -0.000172 -0.000198 0.000073 0.000025 -0.000026 -0.000227 32O 1dxz 0.000253 0.000344 -0.000112 0.000259 0.000028 0.000231 32O 1dyz 0.000054 -0.000225 0.000013 0.000029 -0.000093 0.000018 32O 1dx2y2 -0.000394 -0.000151 0.000254 -0.001041 0.000108 -0.000112 32O 1dxy -0.000377 0.000165 0.000094 0.000293 -0.000051 -0.000420 32O 2dz2 -0.001115 -0.000768 0.000462 -0.000747 0.000107 -0.000949 32O 2dxz 0.000764 0.001057 -0.000168 0.000647 0.000031 0.000770 32O 2dyz 0.000312 -0.000752 -0.000283 -0.000409 0.000314 -0.000027 32O 2dx2y2 -0.001647 -0.000349 0.000931 -0.003339 0.000380 -0.000865 32O 2dxy -0.001152 0.001035 0.000086 0.002164 0.000077 -0.001531 32O 1f0 -0.000133 -0.000173 0.000103 -0.000385 0.000041 -0.000060 32O 1f+1 0.000088 -0.000007 -0.000095 0.000504 -0.000068 -0.000028 32O 1f-1 0.000313 0.000016 -0.000136 0.000481 -0.000009 0.000202 32O 1f+2 0.000024 0.000148 -0.000032 0.000129 0.000003 -0.000019 32O 1f-2 0.000339 0.000157 -0.000128 0.000443 -0.000048 0.000245 32O 1f+3 -0.000393 -0.000065 0.000145 -0.000331 0.000018 -0.000302 32O 1f-3 0.000136 0.000105 -0.000118 0.000487 -0.000051 -0.000013 33O 1s 0.002616 -0.004266 0.000812 -0.003808 0.003479 -0.000029 33O 2s 0.006312 -0.010416 0.001925 -0.009005 0.008379 -0.000067 33O 3s -0.010225 0.018455 -0.002733 0.012025 -0.013719 0.000075 33O 4s -0.014368 0.021490 -0.004498 0.026757 -0.014920 0.000293 33O 5s -0.003600 -0.016710 -0.009368 0.031745 -0.023861 -0.000226 33O 1pz -0.021399 0.136556 -0.099977 -0.032965 -0.013213 -0.065753 33O 1px -0.045059 0.079369 -0.090704 0.113951 -0.074873 -0.037899 33O 1py -0.066377 0.103119 0.153468 0.056898 -0.062381 0.104586 33O 2pz -0.018973 0.113766 -0.085139 -0.023696 -0.010324 -0.055423 33O 2px -0.038292 0.069098 -0.076449 0.092293 -0.062567 -0.032012 33O 2py -0.055154 0.087653 0.130217 0.049361 -0.052103 0.088223 33O 3pz -0.005723 0.076730 -0.061451 -0.014502 -0.002916 -0.041031 33O 3px -0.031769 0.074040 -0.051874 0.051014 -0.052580 -0.022940 33O 3py -0.044648 0.065939 0.091437 0.029557 -0.037245 0.062156 33O 1dz2 0.000163 0.000943 -0.001180 0.000153 -0.000301 -0.000760 33O 1dxz 0.000104 -0.001788 0.000189 0.001925 -0.000301 0.000272 33O 1dyz -0.000272 -0.000070 0.001108 0.000036 -0.000087 0.000697 33O 1dx2y2 0.000342 0.000144 0.000906 -0.001429 0.000554 0.000241 33O 1dxy 0.000776 -0.001153 -0.001615 -0.000268 0.000572 -0.000972 33O 2dz2 0.001294 0.000745 -0.001490 0.000431 -0.001261 -0.001350 33O 2dxz 0.000710 -0.004865 0.002479 0.002341 -0.001045 0.001596 33O 2dyz 0.000527 -0.004932 0.001810 0.000204 -0.000906 0.001370 33O 2dx2y2 0.000633 -0.000267 0.003764 -0.001725 0.001328 0.001518 33O 2dxy 0.003120 -0.004420 -0.004344 -0.001056 0.001154 -0.002724 33O 1f0 0.000101 0.000219 -0.001333 0.000179 -0.000096 -0.000809 33O 1f+1 -0.000525 -0.000328 0.000730 0.000589 -0.000292 0.000651 33O 1f-1 -0.000527 0.000804 0.000083 0.000370 -0.000174 0.000171 33O 1f+2 0.000287 -0.000297 -0.000223 -0.000836 0.000475 -0.000266 33O 1f-2 0.000236 0.000350 -0.001172 0.000006 0.000049 -0.000761 33O 1f+3 0.000082 0.000117 -0.000113 -0.000202 0.000143 -0.000138 33O 1f-3 0.000328 -0.000105 -0.000759 0.000274 -0.000114 -0.000470 34O 1s -0.000689 0.000584 0.002732 0.003023 -0.000426 0.000810 34O 2s -0.001825 0.001341 0.006592 0.007209 -0.001034 0.002038 34O 3s 0.005206 -0.001256 -0.011172 -0.010608 0.001824 -0.004042 34O 4s 0.000669 -0.004189 -0.010214 -0.018876 0.001222 0.002108 34O 5s -0.033790 -0.025114 -0.012464 -0.020162 0.003974 -0.063565 34O 1pz 0.041496 0.019104 -0.072082 -0.081969 -0.162416 0.108731 34O 1px 0.066289 0.043118 0.047174 0.062557 -0.046436 -0.062047 34O 1py -0.098511 0.007856 0.059156 0.051679 -0.134963 -0.134543 34O 2pz 0.035803 0.015119 -0.060541 -0.069130 -0.137401 0.093600 34O 2px 0.051604 0.033472 0.041098 0.050486 -0.039217 -0.054879 34O 2py -0.082025 0.007099 0.048892 0.045172 -0.114475 -0.115103 34O 3pz 0.029416 0.019164 -0.045526 -0.049856 -0.098539 0.073236 34O 3px 0.012302 0.011027 0.038798 0.028877 -0.030391 -0.040876 34O 3py -0.063422 0.006240 0.035744 0.029543 -0.080670 -0.092544 34O 1dz2 -0.001343 -0.000375 -0.000043 -0.000451 0.000456 -0.000118 34O 1dxz 0.000030 0.000351 -0.000669 -0.000926 -0.001850 0.001307 34O 1dyz 0.000667 -0.000068 -0.000226 -0.000085 0.000332 0.000060 34O 1dx2y2 0.002080 0.001133 0.000382 0.000753 -0.000777 -0.000751 34O 1dxy -0.001402 -0.000035 0.000452 0.000056 -0.001419 -0.001552 34O 2dz2 -0.001146 0.000237 -0.000097 -0.000327 0.003522 0.001064 34O 2dxz -0.000298 0.001490 -0.001813 -0.002410 -0.004196 0.002353 34O 2dyz 0.004864 0.000311 -0.000520 -0.001055 0.000362 0.005374 34O 2dx2y2 0.005052 0.001841 0.001321 -0.000088 -0.000367 0.001051 34O 2dxy -0.001957 0.001070 0.001255 0.000356 -0.004007 -0.001811 34O 1f0 -0.000146 -0.000415 0.000187 0.000400 0.000900 -0.000582 34O 1f+1 -0.000405 -0.000210 -0.000361 -0.000349 -0.000196 0.000336 34O 1f-1 -0.000096 0.000015 0.000131 0.000105 0.000729 -0.000145 34O 1f+2 -0.000524 0.000270 -0.000000 -0.000128 -0.000996 -0.000384 34O 1f-2 0.000163 -0.000103 0.000321 0.000488 0.000857 -0.000601 34O 1f+3 -0.000286 -0.000476 -0.000383 -0.000305 0.001082 0.000793 34O 1f-3 0.000379 -0.000149 0.000192 0.000365 0.000541 -0.000091 35O 1s -0.001702 0.000722 -0.001338 0.006427 -0.003557 0.000203 35O 2s -0.004033 0.001541 -0.003245 0.015511 -0.008596 0.000484 35O 3s 0.005502 0.000094 0.005556 -0.024940 0.014484 -0.000693 35O 4s 0.011923 -0.006910 0.005731 -0.037273 0.014103 -0.001765 35O 5s 0.010978 -0.045398 0.004178 -0.008893 0.022375 0.002103 35O 1pz 0.038866 0.054376 0.131423 -0.153194 0.062381 0.058427 35O 1px -0.038626 0.087029 0.038391 0.098655 -0.069159 0.038584 35O 1py -0.029899 0.055911 -0.144353 -0.093817 0.040436 -0.104321 35O 2pz 0.032348 0.045216 0.111294 -0.131301 0.051727 0.049075 35O 2px -0.031522 0.068328 0.032243 0.081989 -0.058723 0.032251 35O 2py -0.023403 0.045496 -0.122202 -0.081061 0.033801 -0.087679 35O 3pz 0.026264 0.042679 0.079346 -0.091078 0.037289 0.035499 35O 3px -0.016390 0.024084 0.019596 0.066769 -0.052054 0.024399 35O 3py -0.021382 0.026583 -0.089665 -0.054303 0.019171 -0.064610 35O 1dz2 0.000703 -0.001576 -0.000151 0.000088 0.000114 0.000068 35O 1dxz 0.000395 0.000818 0.001366 -0.001094 0.000428 0.000653 35O 1dyz -0.000013 -0.000040 0.000414 0.000000 -0.000010 0.000157 35O 1dx2y2 -0.000213 0.001701 0.001138 0.001138 -0.000766 0.000883 35O 1dxy -0.000890 0.001756 -0.001512 -0.000465 0.000167 -0.000952 35O 2dz2 0.001109 -0.004131 -0.002304 0.002645 0.000855 -0.000619 35O 2dxz 0.001591 0.001701 0.002799 -0.003263 0.001442 0.001219 35O 2dyz -0.000200 -0.003194 0.001725 0.004472 0.000209 0.001056 35O 2dx2y2 0.000403 0.002893 0.001454 0.001550 -0.001922 0.001632 35O 2dxy -0.002098 0.002060 -0.004388 -0.001307 0.000438 -0.002750 35O 1f0 -0.000223 -0.000242 -0.000017 -0.000029 0.000092 -0.000097 35O 1f+1 0.000467 -0.000597 0.000607 -0.000514 0.000382 0.000352 35O 1f-1 0.000452 0.000151 0.000753 -0.000692 0.000101 0.000452 35O 1f+2 0.000033 0.000289 0.000880 0.000458 -0.000256 0.000597 35O 1f-2 0.000143 0.000155 0.000305 -0.000433 0.000050 0.000144 35O 1f+3 -0.000447 -0.000199 -0.001164 -0.000538 0.000273 -0.000886 35O 1f-3 0.000501 -0.000675 0.000258 -0.000196 0.000316 0.000163 108 109 110 111 112 113 -0.28800 -0.28286 -0.26533 -0.26106 -0.25515 -0.25301 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s 0.000360 -0.000015 0.000195 -0.004928 0.000108 0.000509 0Rh 2s -0.001387 0.000073 -0.000736 0.018458 -0.000421 -0.001916 0Rh 3s 0.001225 -0.000044 0.000672 -0.017105 0.000362 0.001763 0Rh 4s 0.005925 -0.000317 0.003135 -0.078846 0.001794 0.008196 0Rh 5s -0.004651 0.000362 -0.002308 0.058860 -0.001343 -0.006634 0Rh 6s -0.009335 0.000070 -0.005450 0.135583 -0.003159 -0.012287 0Rh 7s 0.007224 0.001927 0.008795 -0.157238 0.006385 0.013074 0Rh 8s 0.010010 -0.007864 0.001702 -0.018429 -0.005653 0.007214 0Rh 1pz 0.006386 -0.000098 0.003283 0.005353 -0.006629 -0.000444 0Rh 1px 0.001732 -0.000037 0.001959 -0.016375 -0.002026 0.001393 0Rh 1py 0.004192 0.000174 -0.008551 -0.002062 -0.003076 0.000242 0Rh 2pz -0.021644 0.000331 -0.011158 -0.018141 0.022546 0.001501 0Rh 2px -0.005871 0.000128 -0.006658 0.055485 0.006893 -0.004725 0Rh 2py -0.014205 -0.000586 0.029059 0.006973 0.010458 -0.000816 0Rh 3pz 0.017324 -0.000273 0.009286 0.014412 -0.019047 -0.001146 0Rh 3px 0.004742 -0.000149 0.005529 -0.043913 -0.005875 0.003823 0Rh 3py 0.011289 0.000414 -0.024139 -0.005314 -0.008785 0.000588 0Rh 4pz 0.029650 -0.000426 0.014613 0.024666 -0.028600 -0.002181 0Rh 4px 0.007785 -0.000018 0.008691 -0.076115 -0.008437 0.006182 0Rh 4py 0.019750 0.001013 -0.038140 -0.010157 -0.013413 0.001299 0Rh 5pz -0.005344 0.000005 -0.001971 -0.000081 0.002576 -0.000020 0Rh 5px -0.000525 -0.000253 -0.000729 0.001481 0.000221 0.000416 0Rh 5py -0.003834 -0.000495 0.004986 0.001290 0.001469 -0.000363 0Rh 6pz 0.041148 0.000241 0.003377 -0.031904 -0.001869 0.004170 0Rh 6px 0.003394 0.002810 -0.011102 0.089426 -0.000302 -0.008998 0Rh 6py 0.028616 0.002250 -0.002909 -0.017192 -0.005353 0.002260 0Rh 1dz2 0.023164 0.000935 -0.022182 -0.036586 0.064959 0.119331 0Rh 1dxz -0.034874 -0.000246 0.031206 -0.055287 -0.107177 0.058995 0Rh 1dyz 0.002763 -0.000143 0.041718 -0.016235 -0.005774 -0.059255 0Rh 1dx2y2 -0.008169 0.000098 0.050181 0.098273 -0.020011 0.074087 0Rh 1dxy -0.031442 -0.000937 -0.100298 0.044175 -0.055816 0.005115 0Rh 2dz2 -0.000701 -0.000029 0.000599 0.001032 -0.001936 -0.003496 0Rh 2dxz 0.001062 0.000006 -0.000919 0.001578 0.003242 -0.001775 0Rh 2dyz -0.000079 0.000003 -0.001221 0.000477 0.000184 0.001745 0Rh 2dx2y2 0.000251 0.000005 -0.001428 -0.002780 0.000623 -0.002167 0Rh 2dxy 0.000968 0.000042 0.002892 -0.001351 0.001700 -0.000132 0Rh 3dz2 -0.033831 -0.001367 0.032849 0.053914 -0.095854 -0.176689 0Rh 3dxz 0.051020 0.000370 -0.046065 0.081930 0.158266 -0.087327 0Rh 3dyz -0.004069 0.000214 -0.061613 0.023629 0.008426 0.087781 0Rh 3dx2y2 0.011925 -0.000180 -0.074183 -0.145601 0.029399 -0.109830 0Rh 3dxy 0.045990 0.001321 0.148386 -0.065281 0.082405 -0.007658 0Rh 4dz2 -0.045638 -0.001875 0.043471 0.071329 -0.127092 -0.234398 0Rh 4dxz 0.068575 0.000441 -0.061141 0.107772 0.209463 -0.115802 0Rh 4dyz -0.005390 0.000263 -0.082035 0.031671 0.011517 0.116468 0Rh 4dx2y2 0.016062 -0.000079 -0.098741 -0.191929 0.039279 -0.145365 0Rh 4dxy 0.062249 0.001998 0.196935 -0.086919 0.109303 -0.009884 0Rh 5dz2 -0.031030 -0.000855 0.029554 0.049503 -0.088007 -0.158575 0Rh 5dxz 0.047626 0.000633 -0.042023 0.072238 0.145920 -0.078227 0Rh 5dyz -0.003688 0.000342 -0.054775 0.024091 0.007577 0.077920 0Rh 5dx2y2 0.010601 -0.000779 -0.065527 -0.127753 0.026883 -0.099350 0Rh 5dxy 0.040811 0.000692 0.132034 -0.054060 0.075126 -0.007703 0Rh 1f0 -0.000866 -0.000069 0.002893 0.002960 0.001163 -0.000308 0Rh 1f+1 -0.001500 -0.000010 -0.000818 -0.002396 0.002822 0.000388 0Rh 1f-1 -0.007788 -0.000133 0.002084 -0.000519 0.004729 0.000031 0Rh 1f+2 0.004309 -0.000138 0.002527 -0.004381 -0.004722 0.000470 0Rh 1f-2 -0.002573 -0.000138 0.004393 -0.001489 0.000651 0.000043 0Rh 1f+3 -0.001316 0.000002 -0.004189 -0.004927 0.000795 0.000335 0Rh 1f-3 -0.000287 0.000006 0.003087 -0.002254 0.001417 0.000188 1Rh 1s 0.000362 0.000018 -0.000217 -0.004924 -0.000149 0.000510 1Rh 2s -0.001394 -0.000081 0.000820 0.018444 0.000574 -0.001917 1Rh 3s 0.001233 0.000052 -0.000749 -0.017092 -0.000506 0.001764 1Rh 4s 0.005957 0.000355 -0.003496 -0.078787 -0.002450 0.008200 1Rh 5s -0.004672 -0.000393 0.002584 0.058815 0.001822 -0.006638 1Rh 6s -0.009396 -0.000124 0.006047 0.135482 0.004327 -0.012292 1Rh 7s 0.007410 -0.001916 -0.009384 -0.157136 -0.007888 0.013076 1Rh 8s 0.009453 0.007953 -0.001851 -0.018409 0.005712 0.007112 1Rh 1pz -0.006372 -0.000084 0.003253 -0.005273 -0.006699 0.000457 1Rh 1px -0.001749 -0.000030 0.002027 0.016403 -0.001865 -0.001387 1Rh 1py -0.004170 0.000162 -0.008545 0.002132 -0.003075 -0.000249 1Rh 2pz 0.021596 0.000286 -0.011055 0.017868 0.022784 -0.001548 1Rh 2px 0.005929 0.000104 -0.006888 -0.055582 0.006347 0.004704 1Rh 2py 0.014131 -0.000545 0.029038 -0.007214 0.010456 0.000839 1Rh 3pz -0.017284 -0.000232 0.009203 -0.014176 -0.019237 0.001184 1Rh 3px -0.004785 -0.000128 0.005714 0.043998 -0.005448 -0.003805 1Rh 3py -0.011230 0.000378 -0.024124 0.005513 -0.008786 -0.000606 1Rh 4pz -0.029589 -0.000376 0.014478 -0.024346 -0.028928 0.002250 1Rh 4px -0.007876 0.000013 0.008998 0.076223 -0.007669 -0.006155 1Rh 4py -0.019649 0.000964 -0.038110 0.010478 -0.013402 -0.001329 1Rh 5pz 0.005352 0.000002 -0.001983 0.000119 0.002595 -0.000015 1Rh 5px 0.000550 -0.000266 -0.000720 -0.001457 0.000172 -0.000422 1Rh 5py 0.003825 -0.000479 0.004989 -0.001342 0.001461 0.000361 1Rh 6pz -0.041221 0.000399 0.003725 0.031036 -0.001422 -0.003765 1Rh 6px -0.003451 0.002986 -0.011495 -0.089882 -0.001015 0.009052 1Rh 6py -0.028644 0.001680 -0.002912 0.017385 -0.004929 -0.002087 1Rh 1dz2 0.023142 -0.000988 0.021918 -0.036008 -0.065166 0.119630 1Rh 1dxz -0.035008 0.000298 -0.031452 -0.056204 0.106940 0.058775 1Rh 1dyz 0.002610 0.000274 -0.041775 -0.016084 0.005409 -0.059295 1Rh 1dx2y2 -0.008059 -0.000026 -0.049793 0.098270 0.021105 0.074114 1Rh 1dxy -0.031550 0.000635 0.100479 0.043215 0.056482 0.005025 1Rh 2dz2 -0.000701 0.000030 -0.000592 0.001015 0.001942 -0.003505 1Rh 2dxz 0.001066 -0.000007 0.000926 0.001605 -0.003236 -0.001768 1Rh 2dyz -0.000074 -0.000007 0.001223 0.000473 -0.000173 0.001746 1Rh 2dx2y2 0.000247 -0.000008 0.001417 -0.002780 -0.000654 -0.002167 1Rh 2dxy 0.000971 -0.000032 -0.002897 -0.001322 -0.001720 -0.000130 1Rh 3dz2 -0.033801 0.001444 -0.032461 0.053062 0.096159 -0.177130 1Rh 3dxz 0.051217 -0.000446 0.046429 0.083282 -0.157913 -0.087007 1Rh 3dyz -0.003850 -0.000406 0.061696 0.023404 -0.007891 0.087840 1Rh 3dx2y2 0.011764 0.000074 0.073610 -0.145602 -0.031024 -0.109872 1Rh 3dxy 0.046149 -0.000880 -0.148655 -0.063867 -0.083391 -0.007526 1Rh 4dz2 -0.045589 0.001982 -0.042955 0.070198 0.127491 -0.234990 1Rh 4dxz 0.068839 -0.000546 0.061627 0.109560 -0.209007 -0.115366 1Rh 4dyz -0.005078 -0.000525 0.082148 0.031375 -0.010800 0.116553 1Rh 4dx2y2 0.015840 -0.000066 0.097986 -0.191924 -0.041411 -0.145416 1Rh 4dxy 0.062466 -0.001398 -0.197293 -0.085032 -0.110617 -0.009711 1Rh 5dz2 -0.031015 0.000914 -0.029198 0.048719 0.088296 -0.158956 1Rh 5dxz 0.047808 -0.000695 0.042322 0.073495 -0.145591 -0.077944 1Rh 5dyz -0.003539 -0.000510 0.054858 0.023898 -0.007068 0.077941 1Rh 5dx2y2 0.010460 0.000688 0.065017 -0.127747 -0.028332 -0.099386 1Rh 5dxy 0.040931 -0.000319 -0.132228 -0.052791 -0.075951 -0.007572 1Rh 1f0 0.000858 -0.000024 0.002878 -0.002980 0.001127 0.000312 1Rh 1f+1 0.001503 -0.000002 -0.000814 0.002382 0.002843 -0.000393 1Rh 1f-1 0.007776 -0.000122 0.002095 0.000456 0.004739 -0.000038 1Rh 1f+2 -0.004317 -0.000099 0.002546 0.004420 -0.004680 -0.000455 1Rh 1f-2 0.002573 -0.000112 0.004410 0.001466 0.000667 -0.000040 1Rh 1f+3 0.001319 -0.000019 -0.004172 0.004937 0.000851 -0.000341 1Rh 1f-3 0.000285 0.000005 0.003099 0.002233 0.001433 -0.000190 2C 1s -0.000316 -0.000057 0.001547 0.002364 0.006168 -0.000141 2C 2s -0.000687 -0.000128 0.003433 0.005295 0.013622 -0.000334 2C 3s 0.000350 0.000339 -0.006498 -0.010699 -0.026036 0.000733 2C 4s 0.005746 -0.000223 -0.004044 -0.002684 -0.017258 -0.000542 2C 5s 0.008221 0.006667 0.009931 0.030017 0.083053 0.016578 2C 1pz -0.016358 0.004045 -0.015069 -0.024546 -0.048728 0.013864 2C 1px 0.052194 0.000524 -0.004358 -0.004576 -0.014724 0.008520 2C 1py 0.010668 -0.005132 -0.005910 -0.018219 -0.030819 -0.020923 2C 2pz -0.011955 0.002708 -0.011140 -0.017257 -0.032246 0.012341 2C 2px 0.043805 0.000517 -0.003500 -0.002879 -0.009963 0.007457 2C 2py 0.010143 -0.003665 -0.003770 -0.012200 -0.019700 -0.018740 2C 3pz -0.008221 0.013927 0.002745 -0.000637 0.021088 0.003526 2C 3px 0.029003 -0.004062 -0.003797 0.000518 -0.015325 0.000551 2C 3py 0.007117 -0.016223 -0.000090 -0.000502 0.017177 0.002841 2C 1dz2 0.001295 -0.000155 -0.000239 -0.000763 -0.001417 -0.001565 2C 1dxz -0.003389 0.000070 -0.000041 -0.000568 -0.000975 -0.001980 2C 1dyz 0.001513 0.000238 -0.000566 -0.000785 -0.001719 0.000996 2C 1dx2y2 0.001934 0.000182 0.000461 0.000311 0.001112 -0.001502 2C 1dxy -0.002090 -0.000298 -0.000270 -0.000016 -0.000161 0.001548 2C 2dz2 0.002170 -0.000682 0.000685 -0.000301 0.001296 -0.003576 2C 2dxz -0.003752 0.000196 -0.000026 0.000433 0.000040 -0.001853 2C 2dyz 0.001737 0.000490 -0.000085 0.000352 0.002501 0.001960 2C 2dx2y2 0.001553 0.000310 0.000505 0.000003 0.000839 -0.002632 2C 2dxy -0.002891 -0.000778 0.000143 0.000411 0.000971 0.000212 2C 1f0 0.000900 -0.000294 0.000015 -0.000123 -0.000017 -0.000604 2C 1f+1 -0.000665 0.000217 -0.000102 -0.000250 -0.000242 -0.000110 2C 1f-1 0.000454 0.000124 -0.000012 -0.000135 0.000104 -0.000022 2C 1f+2 -0.000310 0.000093 0.000060 0.000112 0.000069 -0.000451 2C 1f-2 -0.001121 -0.000192 0.000006 0.000085 0.000219 -0.000168 2C 1f+3 -0.000275 -0.000268 -0.000029 -0.000052 -0.000081 -0.000066 2C 1f-3 0.000475 -0.000043 -0.000061 -0.000185 -0.000278 0.000204 3C 1s -0.000206 0.000138 -0.007169 0.003171 0.001172 -0.000185 3C 2s -0.000462 0.000301 -0.015843 0.007087 0.002592 -0.000395 3C 3s 0.000913 -0.000454 0.029659 -0.013980 -0.005047 0.000779 3C 4s 0.000181 -0.000872 0.021522 -0.005080 -0.002601 0.000993 3C 5s -0.003411 0.000708 -0.062605 -0.001677 0.016872 -0.023016 3C 1pz 0.002018 -0.003777 0.030084 -0.015110 -0.002850 0.023069 3C 1px 0.004893 -0.004225 0.027400 -0.014125 -0.003346 0.005539 3C 1py -0.000416 -0.001473 -0.063078 0.034084 0.010550 0.011930 3C 2pz 0.000919 -0.002593 0.021211 -0.009552 -0.001743 0.020060 3C 2px 0.002662 -0.002548 0.019710 -0.010884 -0.001891 0.004892 3C 2py -0.001191 -0.000783 -0.044177 0.023708 0.006414 0.010731 3C 3pz 0.003012 -0.006251 -0.023070 -0.002893 0.004955 -0.002702 3C 3px 0.012876 -0.018325 0.007641 -0.006341 -0.000294 -0.000717 3C 3py 0.008146 -0.010238 0.003823 0.009884 -0.003772 0.004391 3C 1dz2 -0.000085 0.000204 -0.000135 0.000082 0.000008 -0.000596 3C 1dxz 0.000164 -0.000426 0.001092 -0.000500 -0.000283 -0.001282 3C 1dyz -0.000160 -0.000013 -0.001831 0.001173 0.000362 0.001903 3C 1dx2y2 -0.000085 0.000071 -0.002112 0.000727 0.000152 -0.002339 3C 1dxy 0.000136 -0.000183 -0.001485 0.000611 0.000158 -0.000940 3C 2dz2 -0.000481 0.000805 0.001463 -0.000882 -0.000985 -0.003439 3C 2dxz 0.000602 -0.000629 -0.000076 -0.000289 -0.000081 -0.001761 3C 2dyz -0.000213 -0.000089 0.001221 -0.000537 -0.000386 0.002077 3C 2dx2y2 0.000076 0.000135 -0.000274 -0.000602 -0.000304 -0.002777 3C 2dxy 0.000647 -0.000841 0.000859 -0.000127 -0.000240 -0.000285 3C 1f0 -0.000114 0.000221 0.000038 -0.000029 -0.000035 -0.000221 3C 1f+1 0.000129 -0.000220 0.000268 -0.000178 -0.000028 -0.000203 3C 1f-1 0.000027 -0.000178 -0.000197 0.000141 0.000035 0.000629 3C 1f+2 0.000018 -0.000079 0.000148 -0.000060 -0.000033 0.000030 3C 1f-2 -0.000057 0.000150 -0.000081 0.000168 0.000009 0.000258 3C 1f+3 -0.000132 0.000289 0.000201 -0.000284 0.000000 0.000047 3C 1f-3 -0.000101 0.000139 -0.000467 0.000232 0.000048 -0.000268 4C 1s 0.000034 0.000039 0.001864 -0.002632 0.010110 0.000284 4C 2s 0.000081 0.000105 0.004129 -0.006004 0.022352 0.000651 4C 3s 0.000295 -0.000369 -0.007619 0.020411 -0.037872 -0.002080 4C 4s -0.002212 0.000340 -0.008459 -0.028253 -0.073104 0.003222 4C 5s -0.011605 -0.000040 -0.004471 -0.018684 -0.081784 -0.012058 4C 1pz -0.001585 -0.001352 0.009285 0.020401 0.007096 -0.039771 4C 1px 0.002227 -0.000335 0.004968 0.005804 0.001758 -0.024497 4C 1py -0.001630 0.000965 -0.004198 0.022314 0.006246 0.063162 4C 2pz 0.007049 -0.001224 0.010972 0.004488 0.011696 -0.036011 4C 2px -0.019887 -0.000435 0.006211 0.006834 0.000920 -0.023213 4C 2py -0.004298 0.000025 -0.004899 0.012755 0.010041 0.059169 4C 3pz 0.016886 0.000944 0.020826 0.037948 0.084068 -0.010212 4C 3px -0.040290 0.002900 0.008904 0.002618 0.025544 -0.008299 4C 3py -0.006790 0.009720 0.013432 0.026371 0.056340 0.026868 4C 1dz2 -0.004964 -0.003692 -0.001467 -0.002518 -0.006564 -0.001641 4C 1dxz 0.008878 0.005057 -0.000919 -0.001760 -0.005273 -0.000658 4C 1dyz -0.000209 0.004542 -0.001692 -0.002137 -0.006043 0.001142 4C 1dx2y2 0.000459 0.005404 0.002307 0.002547 0.007832 -0.001300 4C 1dxy 0.006936 -0.009362 0.000460 0.001098 0.001565 -0.000121 4C 2dz2 -0.004333 -0.006441 -0.002728 -0.005981 -0.013330 0.000858 4C 2dxz 0.006930 0.009328 -0.002593 0.000702 -0.011430 -0.000230 4C 2dyz -0.000962 0.008426 -0.002557 -0.006551 -0.011948 -0.000462 4C 2dx2y2 0.000600 0.010688 0.004804 0.002398 0.015579 0.001050 4C 2dxy 0.005413 -0.017286 0.000815 0.000737 0.002889 0.000628 4C 1f0 -0.003970 -0.001741 0.000095 -0.000042 0.000446 0.000307 4C 1f+1 0.004070 0.001756 0.000180 0.000135 0.001004 0.000685 4C 1f-1 -0.001138 0.001161 0.000145 -0.000193 0.000777 0.000006 4C 1f+2 0.002729 0.000931 0.000043 -0.000075 -0.001102 -0.000021 4C 1f-2 0.004760 -0.001251 0.000158 0.000156 0.000256 -0.000661 4C 1f+3 0.004180 -0.002213 0.000040 0.000017 0.000054 0.000657 4C 1f-3 0.001006 -0.000611 0.000014 -0.000266 0.000953 -0.000851 5C 1s -0.000040 0.000087 -0.010142 -0.002385 0.002173 0.000188 5C 2s -0.000070 0.000194 -0.022433 -0.005463 0.004780 0.000452 5C 3s -0.000018 -0.000195 0.039005 0.019734 -0.007431 -0.001634 5C 4s 0.000180 -0.001310 0.063159 -0.030900 -0.019763 0.001804 5C 5s -0.003912 -0.005998 0.066236 -0.008869 -0.012086 0.009733 5C 1pz -0.000511 0.000951 -0.013146 0.013198 -0.004933 -0.065566 5C 1px -0.000473 0.000391 -0.006695 0.006403 -0.000396 -0.013607 5C 1py 0.002179 -0.000800 0.017768 -0.032960 -0.004259 -0.040975 5C 2pz 0.000110 0.000679 -0.015943 0.006428 -0.007420 -0.060308 5C 2px -0.001068 -0.000639 -0.007776 -0.002149 0.000269 -0.011549 5C 2py 0.001504 -0.000631 0.020113 -0.019290 -0.006038 -0.039461 5C 3pz -0.004125 0.000422 -0.041592 0.006465 0.008594 -0.031297 5C 3px -0.009309 0.007267 -0.038429 0.015831 0.008103 -0.010039 5C 3py 0.004910 0.004942 0.083662 -0.020835 -0.021387 -0.004381 5C 1dz2 -0.003167 0.005712 0.002502 -0.001140 -0.000658 -0.001678 5C 1dxz 0.005485 -0.009526 0.007025 -0.002949 -0.001052 -0.000435 5C 1dyz -0.000199 0.000403 -0.004460 0.001537 0.000936 0.000921 5C 1dx2y2 0.000120 -0.000248 -0.011039 0.004115 0.001692 -0.001543 5C 1dxy 0.003564 -0.007295 -0.006392 0.003203 0.000930 -0.000169 5C 2dz2 -0.005195 0.010778 0.005463 0.001891 -0.002318 0.001000 5C 2dxz 0.009680 -0.017498 0.013662 -0.005170 -0.002560 0.001380 5C 2dyz -0.000370 0.001259 -0.008091 0.005927 0.002567 -0.000650 5C 2dx2y2 -0.000157 -0.000948 -0.021826 0.004311 0.003240 -0.000484 5C 2dxy 0.006499 -0.013667 -0.011938 0.007602 0.001535 -0.000643 5C 1f0 -0.000981 0.001810 0.000045 -0.000069 -0.000031 0.000301 5C 1f+1 0.000990 -0.001754 -0.000449 0.000128 0.000046 0.000973 5C 1f-1 0.000650 -0.001131 0.000305 -0.000168 0.000178 0.000147 5C 1f+2 0.000621 -0.000825 0.000734 -0.000196 -0.000116 -0.000708 5C 1f-2 -0.000788 0.001274 0.000720 0.000382 -0.000246 -0.000100 5C 1f+3 -0.000879 0.002231 -0.000639 -0.000186 0.000284 -0.000153 5C 1f-3 -0.000124 0.000434 0.000959 -0.000103 -0.000365 0.000754 6C 1s -0.000050 -0.000089 0.010136 -0.002397 -0.002199 0.000196 6C 2s -0.000093 -0.000197 0.022420 -0.005490 -0.004839 0.000469 6C 3s 0.000003 0.000195 -0.038920 0.019791 0.007642 -0.001670 6C 4s 0.000341 0.001349 -0.063444 -0.030865 0.019441 0.001811 6C 5s -0.003803 0.006013 -0.066335 -0.008877 0.011984 0.009506 6C 1pz 0.000566 0.000958 -0.013243 -0.013063 -0.004926 0.065549 6C 1px 0.000565 0.000345 -0.006793 -0.006403 -0.000386 0.013640 6C 1py -0.002208 -0.000807 0.017880 0.032989 -0.003862 0.041029 6C 2pz -0.000045 0.000690 -0.015981 -0.006292 -0.007394 0.060321 6C 2px 0.001046 -0.000764 -0.007880 0.002233 0.000335 0.011499 6C 2py -0.001549 -0.000658 0.020141 0.019333 -0.005781 0.039520 6C 3pz 0.004231 0.000688 -0.041628 -0.006768 0.008779 0.031264 6C 3px 0.009135 0.007072 -0.038711 -0.015954 0.008088 0.009910 6C 3py -0.004882 0.004870 0.083651 0.021285 -0.021203 0.004520 6C 1dz2 -0.003163 -0.005707 -0.002505 -0.001134 0.000644 -0.001681 6C 1dxz 0.005481 0.009500 -0.007030 -0.002939 0.001027 -0.000449 6C 1dyz -0.000207 -0.000421 0.004465 0.001532 -0.000923 0.000926 6C 1dx2y2 0.000101 0.000230 0.011065 0.004094 -0.001660 -0.001527 6C 1dxy 0.003550 0.007328 0.006407 0.003187 -0.000896 -0.000163 6C 2dz2 -0.005201 -0.010774 -0.005447 0.001879 0.002343 0.000971 6C 2dxz 0.009682 0.017470 -0.013664 -0.005189 0.002519 0.001343 6C 2dyz -0.000381 -0.001277 0.008128 0.005924 -0.002495 -0.000628 6C 2dx2y2 -0.000158 0.000934 0.021848 0.004302 -0.003203 -0.000436 6C 2dxy 0.006438 0.013692 0.011965 0.007620 -0.001452 -0.000652 6C 1f0 0.000976 0.001802 0.000045 0.000072 -0.000031 -0.000302 6C 1f+1 -0.000986 -0.001749 -0.000448 -0.000127 0.000041 -0.000973 6C 1f-1 -0.000648 -0.001120 0.000304 0.000166 0.000180 -0.000149 6C 1f+2 -0.000617 -0.000799 0.000737 0.000196 -0.000111 0.000710 6C 1f-2 0.000786 0.001265 0.000721 -0.000385 -0.000248 0.000101 6C 1f+3 0.000883 0.002255 -0.000635 0.000186 0.000285 0.000155 6C 1f-3 0.000121 0.000452 0.000968 0.000100 -0.000364 -0.000754 7C 1s 0.000057 -0.000039 -0.001878 -0.002510 -0.010146 0.000302 7C 2s 0.000132 -0.000104 -0.004162 -0.005735 -0.022432 0.000689 7C 3s 0.000240 0.000365 0.007720 0.019969 0.038113 -0.002112 7C 4s -0.002517 -0.000304 0.008324 -0.029169 0.072889 0.002850 7C 5s -0.012028 0.000054 0.004689 -0.019541 0.081569 -0.011409 7C 1pz 0.001564 -0.001406 0.009199 -0.020509 0.007029 0.040013 7C 1px -0.002391 -0.000365 0.004880 -0.005806 0.001601 0.024503 7C 1py 0.001598 0.001027 -0.004236 -0.022491 0.005912 -0.063067 7C 2pz -0.007060 -0.001279 0.010966 -0.004650 0.011776 0.036194 7C 2px 0.019878 -0.000432 0.006129 -0.006825 0.000765 0.023264 7C 2py 0.004308 0.000066 -0.004886 -0.012902 0.009797 -0.059086 7C 3pz -0.017056 0.000893 0.020647 -0.039333 0.083463 0.010892 7C 3px 0.040205 0.002404 0.008997 -0.002982 0.025749 0.008403 7C 3py 0.006689 0.009838 0.013458 -0.027386 0.056542 -0.026417 7C 1dz2 -0.004990 0.003725 0.001447 -0.002597 0.006515 -0.001648 7C 1dxz 0.008887 -0.005097 0.000920 -0.001820 0.005267 -0.000666 7C 1dyz -0.000225 -0.004576 0.001683 -0.002220 0.006036 0.001120 7C 1dx2y2 0.000483 -0.005436 -0.002296 0.002654 -0.007823 -0.001308 7C 1dxy 0.006959 0.009443 -0.000450 0.001116 -0.001546 -0.000114 7C 2dz2 -0.004340 0.006506 0.002696 -0.006150 0.013211 0.000883 7C 2dxz 0.006935 -0.009452 0.002624 0.000544 0.011476 -0.000236 7C 2dyz -0.000989 -0.008501 0.002546 -0.006733 0.011921 -0.000499 7C 2dx2y2 0.000606 -0.010749 -0.004819 0.002631 -0.015596 0.000986 7C 2dxy 0.005429 0.017428 -0.000796 0.000788 -0.002856 0.000618 7C 1f0 0.003967 -0.001752 0.000100 0.000037 0.000455 -0.000311 7C 1f+1 -0.004080 0.001775 0.000176 -0.000144 0.000990 -0.000692 7C 1f-1 0.001142 0.001165 0.000149 0.000182 0.000783 -0.000009 7C 1f+2 -0.002727 0.000930 0.000041 0.000087 -0.001107 0.000030 7C 1f-2 -0.004772 -0.001256 0.000151 -0.000159 0.000242 0.000661 7C 1f+3 -0.004195 -0.002238 0.000038 -0.000019 0.000048 -0.000660 7C 1f-3 -0.001015 -0.000626 0.000016 0.000257 0.000961 0.000846 8C 1s -0.000217 -0.000138 0.007183 0.003159 -0.001142 -0.000176 8C 2s -0.000486 -0.000299 0.015874 0.007059 -0.002526 -0.000376 8C 3s 0.000958 0.000450 -0.029724 -0.013932 0.004911 0.000747 8C 4s 0.000207 0.000886 -0.021538 -0.005033 0.002595 0.000948 8C 5s -0.003373 -0.000903 0.062611 -0.000857 -0.017088 -0.022734 8C 1pz -0.002157 -0.003966 0.030222 0.015037 -0.002772 -0.023034 8C 1px -0.004901 -0.003936 0.027614 0.014110 -0.003253 -0.005508 8C 1py 0.000496 -0.001476 -0.063155 -0.033989 0.010204 -0.012028 8C 2pz -0.000994 -0.002733 0.021305 0.009477 -0.001717 -0.020034 8C 2px -0.002692 -0.002317 0.019857 0.010858 -0.001826 -0.004873 8C 2py 0.001251 -0.000771 -0.044225 -0.023591 0.006200 -0.010805 8C 3pz -0.003290 -0.006666 -0.022949 0.002819 0.004918 0.002647 8C 3px -0.012675 -0.017931 0.008092 0.006300 -0.000344 0.000765 8C 3py -0.008180 -0.010406 0.004026 -0.009646 -0.004005 -0.004357 8C 1dz2 -0.000086 -0.000208 0.000135 0.000083 -0.000010 -0.000596 8C 1dxz 0.000164 0.000441 -0.001091 -0.000503 0.000279 -0.001320 8C 1dyz -0.000163 0.000024 0.001838 0.001173 -0.000347 0.001890 8C 1dx2y2 -0.000089 -0.000067 0.002119 0.000721 -0.000153 -0.002322 8C 1dxy 0.000133 0.000172 0.001488 0.000606 -0.000153 -0.000954 8C 2dz2 -0.000482 -0.000817 -0.001452 -0.000889 0.000972 -0.003446 8C 2dxz 0.000599 0.000647 0.000080 -0.000293 0.000073 -0.001769 8C 2dyz -0.000209 0.000105 -0.001234 -0.000547 0.000373 0.002077 8C 2dx2y2 0.000073 -0.000131 0.000274 -0.000619 0.000290 -0.002780 8C 2dxy 0.000648 0.000820 -0.000867 -0.000137 0.000228 -0.000285 8C 1f0 0.000114 0.000222 0.000038 0.000029 -0.000033 0.000221 8C 1f+1 -0.000129 -0.000217 0.000272 0.000179 -0.000026 0.000199 8C 1f-1 -0.000028 -0.000182 -0.000196 -0.000141 0.000033 -0.000632 8C 1f+2 -0.000019 -0.000084 0.000145 0.000059 -0.000032 -0.000031 8C 1f-2 0.000057 0.000153 -0.000077 -0.000167 0.000007 -0.000258 8C 1f+3 0.000131 0.000285 0.000204 0.000284 0.000002 -0.000047 8C 1f-3 0.000102 0.000133 -0.000467 -0.000228 0.000048 0.000269 9C 1s -0.000307 0.000057 -0.001537 0.002444 -0.006149 -0.000134 9C 2s -0.000665 0.000129 -0.003412 0.005471 -0.013579 -0.000318 9C 3s 0.000294 -0.000336 0.006456 -0.011041 0.025939 0.000696 9C 4s 0.005757 0.000212 0.004037 -0.002882 0.017290 -0.000462 9C 5s 0.008507 -0.006536 -0.010119 0.031465 -0.082834 0.015084 9C 1pz 0.016537 0.004158 -0.014900 0.025128 -0.048309 -0.013919 9C 1px -0.052236 0.000639 -0.004361 0.004737 -0.014729 -0.008511 9C 1py -0.010593 -0.005266 -0.005962 0.018769 -0.031025 0.020891 9C 2pz 0.012079 0.002774 -0.010996 0.017613 -0.031950 -0.012411 9C 2px -0.043820 0.000576 -0.003513 0.002996 -0.010006 -0.007467 9C 2py -0.010046 -0.003752 -0.003807 0.012573 -0.019846 0.018725 9C 3pz 0.008212 0.014072 0.002899 0.000299 0.021508 -0.003208 9C 3px -0.028970 -0.003164 -0.003865 -0.000315 -0.015635 -0.000467 9C 3py -0.007204 -0.016563 -0.000143 0.000209 0.016682 -0.002713 9C 1dz2 0.001298 0.000160 0.000236 -0.000776 0.001401 -0.001557 9C 1dxz -0.003446 -0.000076 0.000038 -0.000579 0.000961 -0.001969 9C 1dyz 0.001505 -0.000235 0.000559 -0.000817 0.001724 0.000943 9C 1dx2y2 0.001938 -0.000174 -0.000469 0.000324 -0.001118 -0.001574 9C 1dxy -0.002010 0.000294 0.000264 -0.000018 0.000159 0.001538 9C 2dz2 0.002160 0.000701 -0.000686 -0.000300 -0.001290 -0.003584 9C 2dxz -0.003811 -0.000214 0.000024 0.000432 -0.000042 -0.001853 9C 2dyz 0.001735 -0.000486 0.000074 0.000397 -0.002515 0.001938 9C 2dx2y2 0.001558 -0.000297 -0.000489 -0.000002 -0.000810 -0.002653 9C 2dxy -0.002817 0.000779 -0.000143 0.000429 -0.000969 0.000201 9C 1f0 -0.000890 -0.000300 0.000015 0.000124 -0.000018 0.000609 9C 1f+1 0.000655 0.000219 -0.000100 0.000252 -0.000238 0.000111 9C 1f-1 -0.000460 0.000123 -0.000012 0.000136 0.000103 0.000024 9C 1f+2 0.000306 0.000093 0.000058 -0.000109 0.000063 0.000447 9C 1f-2 0.001128 -0.000189 0.000006 -0.000085 0.000215 0.000171 9C 1f+3 0.000291 -0.000270 -0.000028 0.000052 -0.000075 0.000066 9C 1f-3 -0.000476 -0.000046 -0.000062 0.000194 -0.000285 -0.000200 10H 1s 0.031247 0.000212 0.001646 0.004277 0.006244 0.003000 10H 2s 0.048773 0.000805 0.002799 0.006404 0.008315 0.004617 10H 3s 0.016121 0.006318 0.007607 0.004769 0.032892 0.002540 10H 1pz 0.000720 0.000440 -0.000356 -0.000742 -0.001201 0.000480 10H 1px -0.002504 0.000175 -0.000157 -0.000672 -0.000142 -0.000010 10H 1py 0.000278 -0.000418 -0.000080 -0.000603 -0.000533 -0.000680 11H 1s -0.011364 -0.001889 0.003829 0.001873 0.006618 -0.017568 11H 2s -0.019097 -0.002030 0.005985 0.001314 0.006878 -0.030573 11H 3s -0.006925 0.009150 0.006758 0.003828 0.006656 -0.027481 11H 1pz -0.001229 0.000259 -0.000252 -0.000792 -0.001251 -0.000254 11H 1px 0.000535 -0.000471 0.000034 -0.000199 -0.000384 -0.000928 11H 1py 0.001285 0.000141 -0.000445 -0.000673 -0.001462 0.000540 12H 1s -0.021230 0.001460 -0.000077 0.004391 0.006246 0.014006 12H 2s -0.033890 0.000836 -0.000766 0.006340 0.007324 0.022722 12H 3s -0.012404 -0.017073 0.000995 0.006216 0.014005 0.018720 12H 1pz 0.000811 -0.000431 -0.000458 -0.001033 -0.001623 -0.000288 12H 1px 0.000276 0.000267 -0.000268 -0.000085 -0.000709 0.000820 12H 1py -0.001839 0.000050 -0.000173 -0.000203 -0.000450 0.000280 13H 1s 0.000827 0.000291 -0.007177 0.003199 0.000879 -0.005218 13H 2s 0.001332 0.001371 -0.010481 0.004803 0.001138 -0.007931 13H 3s -0.007740 0.010577 -0.033673 0.009172 0.005648 -0.006325 13H 1pz 0.000286 -0.000329 0.000511 -0.000263 -0.000042 0.000494 13H 1px -0.000093 -0.000073 0.000552 -0.000668 -0.000029 0.000560 13H 1py 0.000127 -0.000408 -0.001658 0.001092 0.000286 0.000342 14H 1s -0.001735 0.001428 -0.008813 0.003944 0.000074 -0.013223 14H 2s -0.002904 0.000853 -0.011189 0.006045 -0.000634 -0.021089 14H 3s 0.011044 -0.016872 -0.022444 0.007538 0.002100 -0.016760 14H 1pz -0.000119 -0.000022 0.000253 -0.000271 -0.000050 0.000332 14H 1px -0.000301 0.000243 0.000749 -0.000165 -0.000227 -0.000807 14H 1py -0.000382 0.000481 -0.002108 0.001381 0.000310 -0.000235 15H 1s -0.000191 -0.001012 -0.009034 0.006313 0.002573 0.017659 15H 2s 0.000327 -0.001237 -0.010767 0.009649 0.004272 0.031508 15H 3s -0.006839 0.007064 -0.007413 0.010502 0.003271 0.027250 15H 1pz -0.000156 0.000253 0.001730 -0.001057 -0.000321 -0.000880 15H 1px 0.000321 -0.000456 0.001044 -0.000433 -0.000092 0.000421 15H 1py -0.000048 -0.000078 -0.001457 0.000746 0.000058 -0.000709 16H 1s 0.007058 0.000112 0.002644 -0.008525 0.010250 0.000515 16H 2s 0.008458 0.000190 0.004920 -0.016822 0.017403 -0.001577 16H 3s -0.007477 0.000406 0.000500 -0.022401 0.007505 0.000773 16H 1pz 0.000986 0.000111 0.001253 0.001196 0.000505 -0.000341 16H 1px 0.000513 0.000027 -0.000702 -0.007049 0.000911 0.000761 16H 1py -0.000210 -0.000056 -0.002138 -0.003630 -0.000400 0.000066 17H 1s 0.000282 -0.000025 0.009860 -0.008891 -0.003538 0.000423 17H 2s -0.001093 -0.000206 0.016325 -0.017179 -0.005453 -0.002993 17H 3s 0.003634 0.000791 0.006711 -0.022142 -0.002489 -0.000830 17H 1pz 0.000018 0.000081 -0.001157 0.003158 -0.000217 -0.000202 17H 1px -0.000538 0.000018 -0.000574 -0.006347 -0.001427 0.001019 17H 1py -0.001161 -0.000054 -0.001439 -0.003875 -0.001557 0.000058 18H 1s 0.000121 0.000073 -0.009845 -0.008847 0.003687 0.000425 18H 2s -0.001286 0.000247 -0.016282 -0.017167 0.005544 -0.003178 18H 3s 0.003823 -0.000808 -0.006697 -0.022048 0.002332 -0.001048 18H 1pz -0.000062 0.000087 -0.001156 -0.003218 -0.000199 0.000197 18H 1px 0.000519 0.000022 -0.000551 0.006345 -0.001369 -0.001053 18H 1py 0.001153 -0.000052 -0.001482 0.003874 -0.001501 -0.000055 19H 1s 0.007045 -0.000085 -0.002931 -0.008415 -0.010287 0.000526 19H 2s 0.008448 -0.000172 -0.005314 -0.016691 -0.017535 -0.001296 19H 3s -0.007487 -0.000417 -0.000741 -0.022428 -0.007774 0.001034 19H 1pz -0.000986 0.000103 0.001292 -0.001250 0.000482 0.000308 19H 1px -0.000529 0.000027 -0.000632 0.007025 0.000985 -0.000734 19H 1py 0.000159 -0.000052 -0.002110 0.003684 -0.000295 -0.000069 20H 1s -0.000189 0.001078 0.009047 0.006329 -0.002474 0.017641 20H 2s 0.000342 0.001339 0.010785 0.009677 -0.004100 0.031452 20H 3s -0.007006 -0.007252 0.007550 0.010450 -0.003162 0.027184 20H 1pz 0.000157 0.000260 0.001734 0.001058 -0.000307 0.000880 20H 1px -0.000322 -0.000449 0.001049 0.000427 -0.000089 -0.000433 20H 1py 0.000052 -0.000074 -0.001458 -0.000743 0.000054 0.000699 21H 1s -0.001758 -0.001337 0.008865 0.003901 -0.000065 -0.013316 21H 2s -0.002931 -0.000703 0.011265 0.005974 0.000666 -0.021273 21H 3s 0.010964 0.016934 0.022257 0.007371 -0.001957 -0.016931 21H 1pz 0.000116 -0.000034 0.000253 0.000268 -0.000050 -0.000320 21H 1px 0.000300 0.000243 0.000750 0.000168 -0.000224 0.000813 21H 1py 0.000385 0.000475 -0.002120 -0.001378 0.000300 0.000238 22H 1s 0.000798 -0.000445 0.007179 0.003190 -0.000871 -0.005072 22H 2s 0.001282 -0.001579 0.010496 0.004783 -0.001128 -0.007698 22H 3s -0.007585 -0.010426 0.033870 0.009089 -0.005621 -0.006093 22H 1pz -0.000286 -0.000328 0.000519 0.000263 -0.000041 -0.000501 22H 1px 0.000086 -0.000086 0.000557 0.000669 -0.000025 -0.000549 22H 1py -0.000124 -0.000408 -0.001654 -0.001086 0.000273 -0.000346 23H 1s -0.020917 -0.001547 0.000078 0.004499 -0.006242 0.014183 23H 2s -0.033471 -0.000985 0.000786 0.006459 -0.007298 0.023077 23H 3s -0.012163 0.017028 -0.000866 0.006429 -0.013580 0.019180 23H 1pz -0.000796 -0.000434 -0.000455 0.001054 -0.001623 0.000299 23H 1px -0.000326 0.000279 -0.000266 0.000099 -0.000709 -0.000809 23H 1py 0.001835 0.000055 -0.000177 0.000212 -0.000453 -0.000303 24H 1s -0.011769 0.001930 -0.003798 0.001965 -0.006625 -0.017478 24H 2s -0.019746 0.002079 -0.005921 0.001410 -0.006897 -0.030349 24H 3s -0.007197 -0.009682 -0.006706 0.003863 -0.006876 -0.027241 24H 1pz 0.001248 0.000264 -0.000249 0.000805 -0.001231 0.000237 24H 1px -0.000479 -0.000478 0.000034 0.000202 -0.000387 0.000937 24H 1py -0.001300 0.000150 -0.000441 0.000702 -0.001465 -0.000516 25H 1s 0.031384 -0.000163 -0.001636 0.004348 -0.006164 0.002750 25H 2s 0.048968 -0.000694 -0.002791 0.006504 -0.008242 0.004237 25H 3s 0.016238 -0.005860 -0.007635 0.005140 -0.033018 0.002347 25H 1pz -0.000740 0.000440 -0.000348 0.000751 -0.001179 -0.000476 25H 1px 0.002514 0.000180 -0.000153 0.000673 -0.000132 -0.000014 25H 1py -0.000233 -0.000431 -0.000083 0.000623 -0.000541 0.000679 26O 1s -0.000141 -0.000076 -0.000683 0.001098 -0.004359 -0.000150 26O 2s -0.000397 -0.000168 -0.001655 0.002629 -0.010581 -0.000364 26O 3s 0.001075 0.000064 0.002555 -0.004065 0.016767 0.000625 26O 4s -0.004811 0.001457 0.005971 -0.005707 0.029133 0.000620 26O 5s 0.061337 -0.003744 -0.015518 -0.010406 -0.014535 0.000055 26O 1pz 0.169719 0.087622 -0.022543 -0.019760 -0.116571 -0.015758 26O 1px -0.096404 0.051645 0.000906 -0.029163 0.018720 -0.009521 26O 1py 0.069577 -0.139506 -0.018871 -0.013969 -0.064290 0.029452 26O 2pz 0.145683 0.074362 -0.018440 -0.016996 -0.098232 -0.014321 26O 2px -0.083912 0.043720 0.001520 -0.023920 0.015017 -0.008651 26O 2py 0.059449 -0.117837 -0.016481 -0.011838 -0.054568 0.026629 26O 3pz 0.115044 0.053263 -0.021547 -0.020408 -0.092456 -0.002898 26O 3px -0.065801 0.032805 0.004260 -0.022974 0.010918 -0.000962 26O 3py 0.047372 -0.087294 -0.007525 -0.013300 -0.052887 0.008239 26O 1dz2 -0.000277 -0.000024 -0.000005 -0.000396 0.000543 0.000719 26O 1dxz -0.001878 -0.001048 0.000014 0.000655 0.000752 0.000976 26O 1dyz -0.000827 -0.000267 0.000078 0.000139 0.000619 -0.000121 26O 1dx2y2 0.001198 -0.001274 -0.000259 0.000510 -0.000828 0.001348 26O 1dxy -0.000575 0.001358 0.000313 0.000623 -0.000114 -0.000989 26O 2dz2 0.002610 0.001163 -0.000256 -0.001438 0.000353 0.003898 26O 2dxz -0.004356 -0.002165 -0.000744 0.001928 -0.000223 0.003682 26O 2dyz 0.004161 -0.001635 -0.000802 0.000442 -0.001336 -0.001288 26O 2dx2y2 0.001944 -0.002288 -0.001217 0.001854 -0.001040 0.005325 26O 2dxy -0.000316 0.003817 0.000720 0.001931 -0.001908 -0.002967 26O 1f0 0.000011 -0.000077 0.000223 0.000156 0.000756 0.000939 26O 1f+1 0.000648 0.000399 -0.000263 0.000549 -0.000885 0.000206 26O 1f-1 0.000775 0.000568 -0.000079 0.000353 -0.000121 -0.000193 26O 1f+2 -0.000330 0.000832 -0.000047 -0.000337 -0.000284 0.000171 26O 1f-2 0.000490 0.000225 -0.000154 0.000161 -0.001378 -0.000043 26O 1f+3 0.000347 -0.001147 -0.000157 0.000284 -0.000847 0.000742 26O 1f-3 0.000281 0.000207 0.000118 0.000425 0.000099 -0.000584 27O 1s 0.000122 -0.000130 0.004780 0.000355 -0.000925 -0.000072 27O 2s 0.000292 -0.000316 0.011619 0.000828 -0.002252 -0.000175 27O 3s -0.000457 0.000495 -0.018847 -0.001152 0.003656 0.000287 27O 4s -0.000941 0.000996 -0.030649 -0.003221 0.005679 0.000723 27O 5s 0.005569 -0.000062 0.021736 0.018160 -0.002631 -0.000103 27O 1pz 0.082451 -0.141787 0.089428 -0.024396 -0.013148 -0.025498 27O 1px 0.014381 -0.029182 0.002111 -0.021728 0.000431 -0.002692 27O 1py 0.044794 -0.095156 -0.131916 0.042448 0.021937 -0.021091 27O 2pz 0.069148 -0.119994 0.075511 -0.021391 -0.012004 -0.023307 27O 2px 0.011912 -0.024970 0.001417 -0.021178 0.000065 -0.002611 27O 2py 0.037772 -0.080646 -0.111343 0.037117 0.017948 -0.018798 27O 3pz 0.051220 -0.088018 0.068602 -0.008462 -0.004575 -0.005657 27O 3px 0.006464 -0.019205 0.001537 -0.019447 0.000768 -0.000029 27O 3py 0.027341 -0.058083 -0.100681 0.025842 0.021290 -0.005717 27O 1dz2 0.000074 -0.000204 0.000030 -0.000395 -0.000019 0.000483 27O 1dxz -0.000900 0.001658 -0.000776 0.000459 0.000333 0.001465 27O 1dyz 0.000156 -0.000306 0.000155 0.000161 -0.000087 -0.000620 27O 1dx2y2 -0.000365 0.000631 0.000707 0.000502 -0.000165 0.000758 27O 1dxy -0.000426 0.001044 0.000966 -0.000720 0.000019 0.000892 27O 2dz2 0.000803 -0.002179 -0.001560 -0.001300 0.000098 0.003229 27O 2dxz -0.002241 0.003948 -0.000004 0.000984 0.001019 0.005368 27O 2dyz 0.000211 -0.000320 -0.002109 -0.000046 -0.000031 -0.002645 27O 2dx2y2 -0.000416 0.000761 0.001247 0.002776 -0.000090 0.003623 27O 2dxy -0.001474 0.003107 -0.000792 -0.002546 0.001061 0.002891 27O 1f0 -0.000493 0.000800 -0.000659 -0.000086 0.000019 0.000654 27O 1f+1 0.000120 -0.000164 0.000033 0.000392 0.000131 0.000368 27O 1f-1 -0.000279 0.000579 0.000370 -0.000146 0.000026 -0.000612 27O 1f+2 0.000486 -0.000820 0.000514 -0.000163 -0.000101 -0.000507 27O 1f-2 -0.000430 0.000746 -0.000801 -0.000358 0.000103 0.000094 27O 1f+3 -0.000473 0.000792 0.001127 0.000558 -0.000364 0.000154 27O 1f-3 -0.000287 0.000494 0.001087 -0.000361 -0.000229 0.000786 28O 1s 0.000336 0.000012 -0.000955 0.000360 -0.004357 -0.000021 28O 2s 0.000902 0.000037 -0.002317 0.000851 -0.010609 -0.000059 28O 3s -0.002388 -0.000131 0.003736 -0.001425 0.017352 0.000222 28O 4s 0.005041 -0.000080 0.006169 -0.001369 0.026086 -0.000315 28O 5s -0.061343 -0.000005 -0.006857 0.013020 -0.006373 -0.003221 28O 1pz -0.088504 -0.087879 -0.023439 -0.032195 -0.093267 -0.018136 28O 1px -0.145425 -0.056770 -0.015937 0.002865 -0.066189 -0.013112 28O 1py -0.113656 0.143639 -0.021339 -0.019005 -0.083107 0.030302 28O 2pz -0.074848 -0.074536 -0.018880 -0.029990 -0.079565 -0.016191 28O 2px -0.125154 -0.048256 -0.013505 0.004115 -0.055547 -0.012214 28O 2py -0.097105 0.121748 -0.018609 -0.016867 -0.070545 0.027259 28O 3pz -0.064013 -0.053054 -0.021857 -0.022726 -0.075145 -0.004853 28O 3px -0.099170 -0.034939 -0.015242 0.009736 -0.047212 -0.005272 28O 3py -0.079042 0.088057 -0.012379 -0.014988 -0.064725 0.008949 28O 1dz2 0.001485 0.001108 0.000046 0.000448 0.000808 0.001419 28O 1dxz -0.000088 -0.000326 0.000073 -0.000677 0.000468 0.000017 28O 1dyz 0.000801 -0.001045 0.000244 0.000137 0.000588 -0.001042 28O 1dx2y2 -0.001310 -0.000431 -0.000103 0.000030 -0.000932 0.000111 28O 1dxy -0.001168 0.001460 -0.000317 -0.000332 -0.000340 0.001111 28O 2dz2 0.000866 0.001870 -0.000847 0.001668 -0.000378 0.005725 28O 2dxz -0.001831 -0.002112 0.000524 -0.003118 0.001856 0.000747 28O 2dyz -0.003382 -0.001989 0.000300 0.000321 -0.001419 -0.004239 28O 2dx2y2 -0.002213 -0.002409 -0.000170 0.001457 -0.001688 0.001424 28O 2dxy -0.004472 0.004092 -0.001299 -0.001145 -0.000066 0.003597 28O 1f0 -0.000431 -0.001087 -0.000267 0.000335 -0.000902 0.000258 28O 1f+1 -0.000154 0.000789 0.000221 0.000404 0.000841 0.000833 28O 1f-1 -0.000954 0.000169 -0.000143 0.000336 -0.000884 0.000210 28O 1f+2 0.000826 -0.000320 0.000206 -0.000542 0.000664 0.000479 28O 1f-2 -0.000186 -0.001036 0.000180 0.000074 0.000927 -0.000503 28O 1f+3 0.000102 -0.000115 -0.000019 -0.000160 0.000690 -0.000023 28O 1f-3 -0.000081 -0.000657 0.000065 0.000196 0.000101 -0.000788 29O 1s 0.001416 -0.000008 0.002057 -0.007653 0.000976 0.000527 29O 2s 0.003395 -0.000018 0.004957 -0.018612 0.002355 0.001273 29O 3s -0.005078 0.000012 -0.007781 0.031173 -0.003730 -0.002141 29O 4s -0.009581 0.000186 -0.011791 0.036855 -0.005267 -0.003175 29O 5s -0.002231 -0.000564 -0.013375 0.059695 -0.008629 0.002130 29O 1pz -0.009725 -0.000112 0.010505 0.054366 -0.011602 -0.004428 29O 1px -0.008284 -0.000590 -0.018620 -0.165767 -0.017584 0.014047 29O 1py -0.025274 -0.000531 -0.049580 -0.069742 -0.025325 0.006722 29O 2pz -0.006864 0.000009 0.009324 0.045669 -0.010528 -0.003761 29O 2px -0.006869 -0.000404 -0.015232 -0.139360 -0.014944 0.011971 29O 2py -0.020884 -0.000528 -0.041433 -0.059511 -0.021133 0.005365 29O 3pz -0.008221 -0.000104 0.003821 0.039376 0.006044 -0.003094 29O 3px -0.005720 -0.000445 -0.021591 -0.122893 -0.011395 0.012381 29O 3py -0.018588 -0.000153 -0.027138 -0.058288 -0.014245 0.002582 29O 1dz2 0.000181 0.000006 -0.000228 0.000267 0.000458 -0.000043 29O 1dxz -0.000262 -0.000002 0.000388 0.001052 -0.000426 -0.000125 29O 1dyz 0.000281 0.000010 -0.000011 -0.000172 0.000525 0.000019 29O 1dx2y2 -0.000268 -0.000011 -0.000385 -0.002108 -0.000455 0.000204 29O 1dxy -0.000170 -0.000002 -0.000571 0.000815 -0.000056 -0.000019 29O 2dz2 0.000367 -0.000020 -0.001547 -0.000287 0.001876 -0.000433 29O 2dxz -0.000644 -0.000005 0.001450 0.003039 -0.002767 -0.000332 29O 2dyz 0.000999 -0.000040 0.000704 -0.001445 0.001224 0.000337 29O 2dx2y2 -0.001165 -0.000007 -0.000855 -0.005883 -0.001834 -0.000096 29O 2dxy -0.000624 0.000004 -0.002698 0.005165 -0.000793 -0.000606 29O 1f0 -0.000073 -0.000006 0.000138 0.000807 -0.000106 -0.000173 29O 1f+1 -0.000190 -0.000006 -0.000032 -0.000851 -0.000439 0.000159 29O 1f-1 -0.000236 0.000000 -0.000320 -0.000667 -0.000363 0.000058 29O 1f+2 0.000079 0.000001 -0.000047 -0.000422 0.000233 0.000075 29O 1f-2 -0.000038 -0.000008 -0.000474 -0.000777 0.000060 -0.000004 29O 1f+3 0.000169 0.000007 0.000506 0.000302 0.000083 -0.000092 29O 1f-3 -0.000058 0.000002 -0.000227 -0.001079 -0.000252 0.000081 30O 1s 0.000048 0.000077 0.004448 0.001163 -0.000997 -0.000082 30O 2s 0.000130 0.000158 0.010833 0.002784 -0.002415 -0.000205 30O 3s -0.000382 0.000076 -0.017822 -0.004163 0.003740 0.000365 30O 4s 0.000453 -0.001914 -0.027302 -0.007753 0.006528 0.000527 30O 5s -0.001179 0.005678 0.015127 -0.003379 0.001292 0.002496 30O 1pz -0.077570 0.143085 0.060273 -0.032729 -0.010649 -0.030044 30O 1px -0.019818 0.025754 0.081738 0.010263 -0.018737 -0.007321 30O 1py -0.052468 0.101558 -0.109602 0.033686 0.018953 -0.024942 30O 2pz -0.065234 0.121082 0.050784 -0.027108 -0.010344 -0.027403 30O 2px -0.016740 0.021902 0.069225 0.007949 -0.015526 -0.006370 30O 2py -0.043938 0.086263 -0.092288 0.027883 0.015766 -0.021909 30O 3pz -0.047785 0.087782 0.045026 -0.026507 -0.003242 -0.008206 30O 3px -0.011441 0.016613 0.066438 0.006722 -0.010557 -0.001847 30O 3py -0.031702 0.061989 -0.083458 0.027780 0.019291 -0.008495 30O 1dz2 0.000748 -0.001445 -0.000218 0.000218 0.000243 0.001663 30O 1dxz -0.000461 0.001080 -0.000410 -0.000668 0.000016 -0.000485 30O 1dyz -0.000127 0.000204 0.000569 -0.000658 -0.000083 -0.000485 30O 1dx2y2 0.000154 -0.000392 0.001062 -0.000126 -0.000228 0.000672 30O 1dxy -0.000572 0.001140 0.000104 0.000800 -0.000278 -0.000809 30O 2dz2 0.001376 -0.002457 -0.000863 0.000739 0.000987 0.006850 30O 2dxz -0.001908 0.003946 -0.000976 -0.002188 -0.000605 -0.000880 30O 2dyz 0.000006 0.000078 -0.002424 -0.002348 0.000116 -0.002271 30O 2dx2y2 0.000169 -0.000029 0.000546 -0.000585 0.000042 0.003351 30O 2dxy -0.001357 0.003032 -0.000001 0.002056 -0.000994 -0.002178 30O 1f0 -0.000219 0.000361 -0.000082 0.000057 0.000120 -0.000023 30O 1f+1 0.000511 -0.000886 -0.000241 0.000291 -0.000021 0.001011 30O 1f-1 0.000754 -0.001321 -0.000665 -0.000028 0.000113 -0.000180 30O 1f+2 -0.000118 0.000333 -0.001423 -0.000375 0.000177 -0.000173 30O 1f-2 -0.000020 0.000066 0.000441 -0.000592 -0.000032 -0.000336 30O 1f+3 -0.000352 0.000505 -0.000768 0.000287 0.000315 -0.000576 30O 1f-3 0.000098 -0.000110 -0.000976 -0.000483 0.000259 0.000597 31O 1s 0.000065 -0.000084 -0.004452 0.001161 0.001017 -0.000081 31O 2s 0.000170 -0.000176 -0.010844 0.002777 0.002462 -0.000202 31O 3s -0.000444 -0.000041 0.017843 -0.004133 -0.003815 0.000361 31O 4s 0.000342 0.001889 0.027295 -0.007850 -0.006642 0.000517 31O 5s -0.001101 -0.005179 -0.014790 -0.003246 -0.001369 0.002492 31O 1pz 0.077387 0.142885 0.060419 0.032617 -0.010226 0.030118 31O 1px 0.019628 0.025108 0.081730 -0.010335 -0.018882 0.007401 31O 1py 0.052558 0.102060 -0.109689 -0.033493 0.018727 0.024759 31O 2pz 0.065084 0.120913 0.050913 0.027023 -0.009986 0.027479 31O 2px 0.016568 0.021333 0.069206 -0.008009 -0.015644 0.006439 31O 2py 0.044004 0.086690 -0.092385 -0.027726 0.015582 0.021755 31O 3pz 0.047655 0.087589 0.045208 0.026274 -0.002945 0.008237 31O 3px 0.011303 0.016187 0.066358 -0.006729 -0.010655 0.001877 31O 3py 0.031797 0.062389 -0.083529 -0.027464 0.019064 0.008299 31O 1dz2 0.000747 0.001442 0.000219 0.000222 -0.000237 0.001662 31O 1dxz -0.000461 -0.001081 0.000409 -0.000670 -0.000024 -0.000485 31O 1dyz -0.000127 -0.000198 -0.000569 -0.000657 0.000074 -0.000487 31O 1dx2y2 0.000155 0.000401 -0.001061 -0.000124 0.000229 0.000668 31O 1dxy -0.000572 -0.001141 -0.000102 0.000798 0.000284 -0.000808 31O 2dz2 0.001375 0.002444 0.000867 0.000745 -0.000967 0.006850 31O 2dxz -0.001908 -0.003934 0.000965 -0.002192 0.000573 -0.000882 31O 2dyz 0.000003 -0.000082 0.002408 -0.002351 -0.000145 -0.002270 31O 2dx2y2 0.000168 0.000032 -0.000547 -0.000590 -0.000039 0.003351 31O 2dxy -0.001357 -0.003055 0.000014 0.002035 0.001014 -0.002177 31O 1f0 0.000219 0.000362 -0.000083 -0.000058 0.000119 0.000023 31O 1f+1 -0.000510 -0.000884 -0.000241 -0.000290 -0.000026 -0.001011 31O 1f-1 -0.000753 -0.001321 -0.000666 0.000029 0.000113 0.000179 31O 1f+2 0.000121 0.000337 -0.001422 0.000379 0.000181 0.000172 31O 1f-2 0.000021 0.000068 0.000444 0.000590 -0.000025 0.000336 31O 1f+3 0.000352 0.000503 -0.000770 -0.000286 0.000314 0.000573 31O 1f-3 -0.000097 -0.000109 -0.000973 0.000485 0.000263 -0.000598 32O 1s 0.001383 0.000023 -0.002123 -0.007629 -0.001009 0.000529 32O 2s 0.003315 0.000054 -0.005117 -0.018556 -0.002436 0.001279 32O 3s -0.004958 -0.000066 0.008040 0.031087 0.003871 -0.002152 32O 4s -0.009356 -0.000287 0.012150 0.036712 0.005395 -0.003177 32O 5s -0.002185 0.000539 0.013751 0.059570 0.009079 0.002034 32O 1pz 0.009429 -0.000126 0.010990 -0.055184 -0.011897 0.004448 32O 1px 0.007859 -0.000540 -0.017779 0.165857 -0.015439 -0.014023 32O 1py 0.024816 -0.000255 -0.049763 0.070383 -0.024000 -0.006683 32O 2pz 0.006606 -0.000003 0.009715 -0.046399 -0.010790 0.003747 32O 2px 0.006499 -0.000355 -0.014538 0.139420 -0.013150 -0.011961 32O 2py 0.020482 -0.000300 -0.041572 0.060067 -0.020015 -0.005333 32O 3pz 0.008029 -0.000122 0.004185 -0.040134 0.005808 0.002706 32O 3px 0.005442 -0.000428 -0.020969 0.122923 -0.009787 -0.012481 32O 3py 0.018260 0.000074 -0.027319 0.058684 -0.013016 -0.002601 32O 1dz2 0.000174 -0.000007 0.000216 0.000289 -0.000439 -0.000043 32O 1dxz -0.000270 0.000003 -0.000384 0.001022 0.000453 -0.000125 32O 1dyz 0.000279 -0.000009 0.000018 -0.000199 -0.000530 0.000026 32O 1dx2y2 -0.000267 0.000010 0.000377 -0.002126 0.000436 0.000203 32O 1dxy -0.000175 -0.000000 0.000575 0.000799 0.000071 -0.000017 32O 2dz2 0.000346 0.000012 0.001513 -0.000196 -0.001840 -0.000453 32O 2dxz -0.000668 0.000008 -0.001438 0.002895 0.002859 -0.000307 32O 2dyz 0.000984 0.000042 -0.000675 -0.001510 -0.001236 0.000305 32O 2dx2y2 -0.001153 -0.000004 0.000846 -0.005970 0.001763 -0.000084 32O 2dxy -0.000635 -0.000016 0.002727 0.005134 0.000853 -0.000622 32O 1f0 0.000065 -0.000007 0.000147 -0.000831 -0.000101 0.000171 32O 1f+1 0.000185 -0.000005 -0.000019 0.000833 -0.000429 -0.000162 32O 1f-1 0.000235 0.000001 -0.000325 0.000659 -0.000350 -0.000057 32O 1f+2 -0.000087 0.000001 -0.000031 0.000413 0.000245 -0.000075 32O 1f-2 0.000039 -0.000007 -0.000479 0.000814 0.000072 0.000002 32O 1f+3 -0.000164 0.000004 0.000500 -0.000308 0.000077 0.000091 32O 1f-3 0.000056 0.000002 -0.000217 0.001064 -0.000241 -0.000080 33O 1s 0.000300 -0.000010 0.000956 0.000303 0.004355 -0.000026 33O 2s 0.000817 -0.000033 0.002319 0.000711 0.010604 -0.000070 33O 3s -0.002256 0.000127 -0.003744 -0.001179 -0.017352 0.000232 33O 4s 0.005261 0.000053 -0.006147 -0.001118 -0.026025 -0.000245 33O 5s -0.061135 0.000069 0.006879 0.013067 0.006485 -0.003213 33O 1pz 0.088849 -0.088798 -0.023213 0.033363 -0.092730 0.018193 33O 1px 0.145968 -0.056957 -0.015765 -0.002081 -0.065749 0.013201 33O 1py 0.114061 0.144879 -0.021201 0.020108 -0.083045 -0.030057 33O 2pz 0.075149 -0.075327 -0.018669 0.030989 -0.079066 0.016254 33O 2px 0.125607 -0.048409 -0.013376 -0.003465 -0.055210 0.012282 33O 2py 0.097436 0.122799 -0.018477 0.017820 -0.070466 -0.027051 33O 3pz 0.064334 -0.053535 -0.021684 0.023517 -0.074763 0.005001 33O 3px 0.099482 -0.035009 -0.015160 -0.009070 -0.047031 0.005236 33O 3py 0.079312 0.088747 -0.012322 0.015692 -0.064705 -0.008735 33O 1dz2 0.001487 -0.001118 -0.000043 0.000459 -0.000798 0.001421 33O 1dxz -0.000087 0.000334 -0.000075 -0.000673 -0.000469 0.000017 33O 1dyz 0.000801 0.001051 -0.000242 0.000144 -0.000590 -0.001036 33O 1dx2y2 -0.001316 0.000432 0.000101 0.000021 0.000929 0.000108 33O 1dxy -0.001171 -0.001475 0.000314 -0.000339 0.000340 0.001110 33O 2dz2 0.000874 -0.001881 0.000852 0.001658 0.000405 0.005728 33O 2dxz -0.001839 0.002144 -0.000541 -0.003100 -0.001878 0.000743 33O 2dyz -0.003390 0.002002 -0.000298 0.000311 0.001406 -0.004227 33O 2dx2y2 -0.002233 0.002422 0.000170 0.001437 0.001703 0.001417 33O 2dxy -0.004475 -0.004134 0.001290 -0.001157 0.000065 0.003596 33O 1f0 0.000433 -0.001096 -0.000267 -0.000325 -0.000900 -0.000256 33O 1f+1 0.000152 0.000799 0.000219 -0.000413 0.000836 -0.000836 33O 1f-1 0.000959 0.000167 -0.000144 -0.000326 -0.000888 -0.000207 33O 1f+2 -0.000830 -0.000328 0.000208 0.000535 0.000667 -0.000478 33O 1f-2 0.000188 -0.001042 0.000180 -0.000084 0.000927 0.000498 33O 1f+3 -0.000105 -0.000118 -0.000018 0.000154 0.000693 0.000022 33O 1f-3 0.000083 -0.000665 0.000064 -0.000198 0.000102 0.000787 34O 1s 0.000118 0.000138 -0.004776 0.000361 0.000927 -0.000074 34O 2s 0.000284 0.000337 -0.011610 0.000843 0.002256 -0.000181 34O 3s -0.000445 -0.000536 0.018832 -0.001164 -0.003660 0.000298 34O 4s -0.000911 -0.000978 0.030640 -0.003330 -0.005718 0.000738 34O 5s 0.005397 -0.000397 -0.021810 0.018357 0.002931 -0.000325 34O 1pz -0.082319 -0.141188 0.089387 0.024264 -0.012887 0.025665 34O 1px -0.014491 -0.029469 0.002221 0.021761 0.000584 0.002739 34O 1py -0.044528 -0.095782 -0.132273 -0.042188 0.021556 0.020959 34O 2pz -0.069038 -0.119471 0.075475 0.021280 -0.011770 0.023454 34O 2px -0.012029 -0.025233 0.001514 0.021223 0.000232 0.002629 34O 2py -0.037537 -0.081178 -0.111648 -0.036906 0.017613 0.018694 34O 3pz -0.051132 -0.087617 0.068573 0.008313 -0.004542 0.005749 34O 3px -0.006600 -0.019333 0.001639 0.019402 0.000927 -0.000006 34O 3py -0.027171 -0.058566 -0.100891 -0.025555 0.021043 0.005566 34O 1dz2 0.000076 0.000203 -0.000033 -0.000394 0.000017 0.000481 34O 1dxz -0.000897 -0.001650 0.000775 0.000462 -0.000327 0.001467 34O 1dyz 0.000156 0.000307 -0.000153 0.000160 0.000088 -0.000621 34O 1dx2y2 -0.000365 -0.000635 -0.000704 0.000505 0.000169 0.000760 34O 1dxy -0.000422 -0.001052 -0.000972 -0.000716 -0.000024 0.000891 34O 2dz2 0.000807 0.002179 0.001558 -0.001313 -0.000101 0.003240 34O 2dxz -0.002233 -0.003941 -0.000001 0.000995 -0.001001 0.005374 34O 2dyz 0.000205 0.000347 0.002112 -0.000054 0.000024 -0.002645 34O 2dx2y2 -0.000428 -0.000748 -0.001229 0.002787 0.000123 0.003618 34O 2dxy -0.001462 -0.003116 0.000777 -0.002539 -0.001081 0.002901 34O 1f0 0.000491 0.000796 -0.000657 0.000088 0.000018 -0.000654 34O 1f+1 -0.000118 -0.000161 0.000031 -0.000393 0.000126 -0.000368 34O 1f-1 0.000277 0.000577 0.000370 0.000143 0.000029 0.000612 34O 1f+2 -0.000485 -0.000822 0.000513 0.000161 -0.000098 0.000507 34O 1f-2 0.000430 0.000744 -0.000799 0.000360 0.000106 -0.000095 34O 1f+3 0.000473 0.000796 0.001126 -0.000560 -0.000370 -0.000152 34O 1f-3 0.000283 0.000493 0.001089 0.000360 -0.000228 -0.000785 35O 1s -0.000130 0.000074 0.000695 0.001038 0.004398 -0.000151 35O 2s -0.000371 0.000163 0.001683 0.002483 0.010676 -0.000366 35O 3s 0.001036 -0.000061 -0.002599 -0.003820 -0.016913 0.000619 35O 4s -0.004878 -0.001402 -0.006037 -0.005382 -0.029385 0.000679 35O 5s 0.061486 0.003538 0.015435 -0.010465 0.014376 0.000127 35O 1pz -0.169777 0.088318 -0.022641 0.021150 -0.116658 0.016084 35O 1px 0.096753 0.052256 0.001179 0.028938 0.019393 0.009537 35O 1py -0.069533 -0.140477 -0.018871 0.014881 -0.064427 -0.029560 35O 2pz -0.145745 0.074946 -0.018526 0.018171 -0.098322 0.014612 35O 2px 0.084233 0.044232 0.001738 0.023744 0.015555 0.008689 35O 2py -0.059395 -0.118653 -0.016482 0.012620 -0.054686 -0.026703 35O 3pz -0.114995 0.053641 -0.021544 0.021438 -0.092312 0.003103 35O 3px 0.066065 0.033144 0.004467 0.022772 0.011394 0.001147 35O 3py -0.047304 -0.087932 -0.007487 0.013893 -0.052954 -0.008226 35O 1dz2 -0.000276 0.000023 0.000001 -0.000390 -0.000547 0.000723 35O 1dxz -0.001878 0.001056 -0.000012 0.000665 -0.000744 0.000981 35O 1dyz -0.000826 0.000270 -0.000077 0.000145 -0.000618 -0.000117 35O 1dx2y2 0.001202 0.001285 0.000263 0.000500 0.000841 0.001348 35O 1dxy -0.000572 -0.001365 -0.000309 0.000625 0.000121 -0.000990 35O 2dz2 0.002614 -0.001184 0.000252 -0.001441 -0.000355 0.003901 35O 2dxz -0.004366 0.002171 0.000750 0.001920 0.000250 0.003695 35O 2dyz 0.004174 0.001653 0.000810 0.000424 0.001348 -0.001274 35O 2dx2y2 0.001944 0.002306 0.001220 0.001834 0.001074 0.005338 35O 2dxy -0.000301 -0.003842 -0.000706 0.001919 0.001927 -0.002962 35O 1f0 -0.000013 -0.000078 0.000222 -0.000165 0.000753 -0.000944 35O 1f+1 -0.000649 0.000401 -0.000266 -0.000539 -0.000892 -0.000204 35O 1f-1 -0.000780 0.000573 -0.000082 -0.000351 -0.000126 0.000191 35O 1f+2 0.000333 0.000838 -0.000044 0.000341 -0.000279 -0.000168 35O 1f-2 -0.000490 0.000229 -0.000155 -0.000145 -0.001382 0.000048 35O 1f+3 -0.000345 -0.001157 -0.000159 -0.000274 -0.000854 -0.000742 35O 1f-3 -0.000286 0.000205 0.000115 -0.000429 0.000094 0.000583 114 115 116 117 118 119 -0.22171 -0.21325 -0.20613 -0.14151 -0.09138 -0.07766 1.00000 1.00000 1.00000 1.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s -0.000063 -0.000086 -0.000004 -0.000809 -0.000426 -0.000542 0Rh 2s 0.000219 0.000318 -0.000026 0.002829 0.001564 0.002049 0Rh 3s -0.000232 -0.000298 -0.000037 -0.002943 -0.001505 -0.001876 0Rh 4s -0.000935 -0.001362 0.000120 -0.012206 -0.006803 -0.008889 0Rh 5s 0.000635 0.001426 -0.000294 0.007241 0.006046 0.008084 0Rh 6s 0.001959 0.000880 0.000528 0.031555 0.009856 0.011139 0Rh 7s -0.003153 -0.003460 -0.001347 -0.053480 -0.018674 -0.012088 0Rh 8s -0.006251 -0.002235 -0.002127 0.036082 0.004772 -0.010856 0Rh 1pz 0.002038 0.000001 -0.005233 -0.001466 -0.000603 0.000162 0Rh 1px 0.000826 -0.000023 -0.001791 0.004660 0.001375 -0.000914 0Rh 1py -0.005750 0.000000 -0.002073 0.000954 0.000244 -0.000180 0Rh 2pz -0.006929 -0.000004 0.017809 0.005003 0.002054 -0.000553 0Rh 2px -0.002818 0.000082 0.006084 -0.015901 -0.004691 0.003113 0Rh 2py 0.019556 -0.000003 0.007049 -0.003267 -0.000841 0.000610 0Rh 3pz 0.005712 -0.000007 -0.014970 -0.004353 -0.001688 0.000452 0Rh 3px 0.002499 -0.000128 -0.004979 0.013930 0.004079 -0.002621 0Rh 3py -0.016223 0.000029 -0.005860 0.003110 0.000888 -0.000490 0Rh 4pz 0.009416 0.000026 -0.023117 -0.006109 -0.002886 0.000731 0Rh 4px 0.003256 0.000112 -0.008217 0.018941 0.005757 -0.003969 0Rh 4py -0.026264 -0.000037 -0.009337 0.002959 0.000572 -0.000760 0Rh 5pz -0.001220 0.000141 0.000937 0.000163 0.000703 0.000128 0Rh 5px 0.000380 -0.000299 0.000768 0.000609 -0.000100 -0.000556 0Rh 5py 0.003194 -0.000013 0.000741 0.002077 0.000579 -0.000359 0Rh 6pz -0.020875 -0.003613 0.079528 0.002916 -0.003195 -0.001760 0Rh 6px -0.018248 0.000805 0.018576 -0.018384 -0.006063 0.008394 0Rh 6py 0.056423 0.000987 0.025250 -0.023260 -0.006128 0.006993 0Rh 1dz2 -0.025878 -0.111018 0.081405 -0.050402 -0.072546 -0.057446 0Rh 1dxz 0.031188 -0.050843 -0.136287 -0.086207 -0.015979 0.003505 0Rh 1dyz 0.054563 0.059132 -0.009978 0.018160 -0.142958 -0.139568 0Rh 1dx2y2 0.071184 -0.081257 -0.025222 0.130421 0.009141 -0.017897 0Rh 1dxy -0.137927 -0.007390 -0.062444 0.060169 -0.042718 -0.052536 0Rh 2dz2 0.000745 0.003476 -0.002629 0.001607 0.002367 0.001870 0Rh 2dxz -0.000989 0.001638 0.004476 0.002784 0.000541 -0.000103 0Rh 2dyz -0.001701 -0.001864 0.000331 -0.000593 0.004720 0.004609 0Rh 2dx2y2 -0.002155 0.002528 0.000836 -0.004150 -0.000261 0.000619 0Rh 2dxy 0.004270 0.000226 0.002065 -0.001982 0.001396 0.001747 0Rh 3dz2 0.038529 0.165163 -0.120775 0.076000 0.109143 0.086621 0Rh 3dxz -0.046249 0.075590 0.202288 0.130246 0.024026 -0.005583 0Rh 3dyz -0.081060 -0.087928 0.014708 -0.027403 0.214916 0.210645 0Rh 3dx2y2 -0.105857 0.121032 0.037297 -0.197003 -0.013881 0.027273 0Rh 3dxy 0.205058 0.011055 0.092653 -0.090766 0.064245 0.079380 0Rh 4dz2 0.050938 0.218937 -0.160062 0.098248 0.142148 0.112239 0Rh 4dxz -0.061551 0.100274 0.267823 0.168220 0.031093 -0.006779 0Rh 4dyz -0.107612 -0.116746 0.019885 -0.036263 0.280865 0.273228 0Rh 4dx2y2 -0.140353 0.159925 0.049683 -0.254874 -0.017176 0.035366 0Rh 4dxy 0.271913 0.014466 0.122849 -0.117807 0.084265 0.103198 0Rh 5dz2 0.033829 0.141816 -0.107527 0.070278 0.097023 0.077337 0Rh 5dxz -0.039930 0.064846 0.179838 0.116715 0.023063 -0.004210 0Rh 5dyz -0.070265 -0.074731 0.012388 -0.019612 0.186941 0.184822 0Rh 5dx2y2 -0.092153 0.104989 0.033354 -0.175610 -0.016210 0.021793 0Rh 5dxy 0.177545 0.009841 0.082033 -0.079279 0.054059 0.068009 0Rh 1f0 0.001645 -0.000695 -0.001007 -0.001460 -0.001119 -0.000122 0Rh 1f+1 0.000727 0.000511 -0.002280 0.001296 0.001432 0.000390 0Rh 1f-1 0.000521 0.000382 0.000887 0.000724 -0.000967 -0.000462 0Rh 1f+2 0.000589 0.000277 0.000779 0.002182 -0.000243 -0.000652 0Rh 1f-2 -0.000516 -0.000476 0.000270 0.000409 0.002512 0.000991 0Rh 1f+3 0.000515 -0.000826 -0.000316 0.002713 0.000385 -0.000432 0Rh 1f-3 -0.001786 -0.000245 -0.001210 0.002233 -0.000741 -0.000623 1Rh 1s -0.000064 0.000085 -0.000007 0.000806 0.000430 -0.000544 1Rh 2s 0.000219 -0.000317 -0.000011 -0.002821 -0.001578 0.002056 1Rh 3s -0.000232 0.000297 -0.000050 0.002936 0.001519 -0.001883 1Rh 4s -0.000937 0.001358 0.000056 0.012171 0.006867 -0.008924 1Rh 5s 0.000636 -0.001424 -0.000245 -0.007213 -0.006101 0.008113 1Rh 6s 0.001965 -0.000873 0.000635 -0.031499 -0.009947 0.011193 1Rh 7s -0.003127 0.003458 -0.001606 0.053435 0.018686 -0.012107 1Rh 8s -0.006290 0.002202 -0.002126 -0.036227 -0.004548 -0.011178 1Rh 1pz -0.002040 0.000015 0.005232 -0.001469 -0.000605 -0.000152 1Rh 1px -0.000826 -0.000019 0.001780 0.004658 0.001370 0.000910 1Rh 1py 0.005748 0.000011 0.002069 0.000953 0.000233 0.000184 1Rh 2pz 0.006936 -0.000050 -0.017805 0.005011 0.002059 0.000519 1Rh 2px 0.002820 0.000068 -0.006048 -0.015894 -0.004673 -0.003102 1Rh 2py -0.019550 -0.000039 -0.007038 -0.003265 -0.000803 -0.000626 1Rh 3pz -0.005718 0.000031 0.014964 -0.004364 -0.001693 -0.000426 1Rh 3px -0.002501 -0.000116 0.004951 0.013922 0.004063 0.002611 1Rh 3py 0.016216 0.000063 0.005850 0.003108 0.000859 0.000503 1Rh 4pz -0.009430 0.000084 0.023121 -0.006106 -0.002894 -0.000678 1Rh 4px -0.003254 0.000131 0.008166 0.018941 0.005737 0.003954 1Rh 4py 0.026262 -0.000003 0.009326 0.002956 0.000510 0.000786 1Rh 5pz 0.001239 0.000130 -0.000948 0.000123 0.000707 -0.000141 1Rh 5px -0.000385 -0.000304 -0.000750 0.000591 -0.000114 0.000560 1Rh 5py -0.003206 0.000007 -0.000735 0.002075 0.000605 0.000343 1Rh 6pz 0.020617 -0.003546 -0.079522 0.003776 -0.003016 0.001675 1Rh 6px 0.018343 0.000840 -0.018955 -0.018090 -0.005876 -0.008426 1Rh 6py -0.056339 0.000802 -0.025491 -0.023270 -0.006221 -0.006972 1Rh 1dz2 -0.025964 0.110979 0.081151 0.050389 0.072579 -0.057367 1Rh 1dxz 0.031274 0.050660 -0.136187 0.086146 0.015958 0.003464 1Rh 1dyz 0.054578 -0.059012 -0.009905 -0.018283 0.143142 -0.139400 1Rh 1dx2y2 0.071154 0.081176 -0.025217 -0.130422 -0.009167 -0.017761 1Rh 1dxy -0.137819 0.007292 -0.062274 -0.060245 0.042751 -0.052432 1Rh 2dz2 0.000747 -0.003475 -0.002621 -0.001606 -0.002369 0.001867 1Rh 2dxz -0.000992 -0.001632 0.004473 -0.002783 -0.000541 -0.000102 1Rh 2dyz -0.001702 0.001860 0.000329 0.000597 -0.004727 0.004603 1Rh 2dx2y2 -0.002153 -0.002526 0.000836 0.004150 0.000262 0.000614 1Rh 2dxy 0.004267 -0.000222 0.002060 0.001985 -0.001397 0.001744 1Rh 3dz2 0.038658 -0.165105 -0.120399 -0.075983 -0.109193 0.086503 1Rh 3dxz -0.046376 -0.075321 0.202143 -0.130153 -0.023994 -0.005521 1Rh 3dyz -0.081083 0.087749 0.014601 0.027590 -0.215197 0.210397 1Rh 3dx2y2 -0.105815 -0.120912 0.037294 0.197007 0.013917 0.027071 1Rh 3dxy 0.204904 -0.010913 0.092400 0.090883 -0.064292 0.079221 1Rh 4dz2 0.051106 -0.218865 -0.159568 -0.098218 -0.142213 0.112087 1Rh 4dxz -0.061719 -0.099911 0.267627 -0.168109 -0.031056 -0.006699 1Rh 4dyz -0.107645 0.116509 0.019738 0.036499 -0.281225 0.272895 1Rh 4dx2y2 -0.140294 -0.159768 0.049670 0.254870 0.017233 0.035092 1Rh 4dxy 0.271702 -0.014269 0.122515 0.117958 -0.084338 0.103001 1Rh 5dz2 0.033934 -0.141751 -0.107174 -0.070276 -0.097064 0.077221 1Rh 5dxz -0.040037 -0.064612 0.179694 -0.116585 -0.023025 -0.004152 1Rh 5dyz -0.070273 0.074568 0.012300 0.019787 -0.187172 0.184597 1Rh 5dx2y2 -0.092102 -0.104871 0.033342 0.175612 0.016229 0.021635 1Rh 5dxy 0.177385 -0.009729 0.081801 0.079367 -0.054078 0.067838 1Rh 1f0 -0.001641 -0.000688 0.001017 -0.001463 -0.001122 0.000114 1Rh 1f+1 -0.000721 0.000513 0.002283 0.001293 0.001429 -0.000392 1Rh 1f-1 -0.000516 0.000376 -0.000878 0.000729 -0.000966 0.000460 1Rh 1f+2 -0.000595 0.000285 -0.000791 0.002180 -0.000252 0.000647 1Rh 1f-2 0.000511 -0.000476 -0.000269 0.000404 0.002511 -0.000989 1Rh 1f+3 -0.000511 -0.000829 0.000309 0.002716 0.000384 0.000432 1Rh 1f-3 0.001787 -0.000243 0.001217 0.002233 -0.000741 0.000622 2C 1s 0.000119 -0.000002 0.000098 0.000098 0.000213 0.008315 2C 2s 0.000277 -0.000003 0.000258 0.000225 0.000485 0.018583 2C 3s -0.000831 0.000110 -0.000823 -0.000370 -0.000775 -0.036386 2C 4s 0.001783 -0.000572 0.002221 0.000050 -0.000579 -0.031419 2C 5s -0.014228 -0.006631 -0.033232 -0.018511 -0.023753 -0.051315 2C 1pz 0.000356 0.001860 0.002774 0.001604 0.004049 -0.042205 2C 1px -0.003148 0.000156 -0.008627 -0.005643 -0.013279 -0.012745 2C 1py -0.001411 -0.002959 -0.001621 -0.001345 -0.002713 -0.026895 2C 2pz 0.001106 -0.001335 0.003599 0.000968 0.003284 -0.035248 2C 2px -0.002845 0.000698 -0.009757 -0.005751 -0.011074 -0.010410 2C 2py -0.001044 0.001000 -0.001587 -0.001140 -0.002239 -0.022015 2C 3pz -0.000324 0.016016 -0.000403 -0.002797 -0.002115 -0.008705 2C 3px -0.004222 -0.007970 -0.010426 -0.001878 0.000756 -0.029605 2C 3py -0.003244 -0.024546 -0.004175 -0.003912 -0.002292 -0.005130 2C 1dz2 -0.000088 -0.000058 -0.000135 -0.000405 -0.001347 -0.000459 2C 1dxz 0.000179 0.000121 0.000414 0.000948 0.003152 -0.000511 2C 1dyz -0.000076 0.000147 -0.000239 -0.000301 -0.001008 -0.000321 2C 1dx2y2 -0.000078 0.000273 -0.000314 -0.000346 -0.001173 0.000688 2C 1dxy 0.000066 -0.000362 0.000247 0.000610 0.002044 0.000061 2C 2dz2 0.000241 0.000078 0.001123 -0.001191 -0.004286 0.000864 2C 2dxz -0.000241 0.000442 -0.001628 0.002273 0.008609 -0.000506 2C 2dyz 0.000404 0.000553 0.000785 -0.000704 -0.001436 0.001303 2C 2dx2y2 -0.000104 0.001177 -0.000054 -0.000847 -0.001778 0.001892 2C 2dxy -0.000026 -0.002110 -0.000942 0.001437 0.006140 0.001057 2C 1f0 -0.000028 0.000011 0.000099 -0.000332 -0.001070 -0.000002 2C 1f+1 0.000063 0.000027 -0.000001 0.000205 0.000803 -0.000343 2C 1f-1 0.000015 0.000044 -0.000056 -0.000106 -0.000365 -0.000086 2C 1f+2 -0.000041 0.000052 -0.000134 0.000110 0.000395 0.000067 2C 1f-2 0.000013 -0.000091 -0.000081 0.000384 0.001326 0.000273 2C 1f+3 -0.000033 -0.000050 -0.000021 0.000116 0.000421 -0.000279 2C 1f-3 -0.000003 -0.000039 0.000013 -0.000160 -0.000520 -0.000355 3C 1s -0.000003 0.000031 0.000063 0.000049 -0.000091 -0.008476 3C 2s -0.000031 0.000063 0.000153 0.000119 -0.000220 -0.018923 3C 3s 0.000041 0.000117 -0.000522 -0.000607 0.000709 0.036747 3C 4s -0.000292 -0.001831 0.001455 0.001614 -0.001588 0.033690 3C 5s 0.015869 -0.006056 -0.007005 0.005616 0.013430 0.062134 3C 1pz -0.003667 0.001486 0.000325 0.004169 -0.002932 0.021006 3C 1px 0.010494 0.002550 -0.002416 -0.012941 0.009917 0.018014 3C 1py 0.002706 0.002036 -0.000103 -0.002614 0.001844 -0.043799 3C 2pz -0.003418 -0.001094 0.000694 0.004177 -0.002494 0.018537 3C 2px 0.011190 -0.001519 -0.002771 -0.010707 0.007201 0.015115 3C 2py 0.002751 -0.000059 -0.001067 -0.003356 0.001785 -0.036815 3C 3pz -0.002355 0.007651 -0.000431 0.003043 0.002721 -0.014865 3C 3px 0.010202 0.024867 -0.003315 -0.001805 -0.000254 0.022688 3C 3py 0.000062 0.016297 -0.000029 -0.004089 -0.000831 -0.020960 3C 1dz2 0.000136 -0.000150 0.000011 -0.000645 0.000676 0.000176 3C 1dxz -0.000695 0.000371 0.000073 0.002034 -0.002127 0.000558 3C 1dyz -0.000399 0.000015 0.000074 0.001387 -0.001446 -0.000101 3C 1dx2y2 -0.000137 0.000059 0.000006 0.000813 -0.000870 -0.000787 3C 1dxy 0.000283 0.000236 -0.000054 -0.001525 0.001621 -0.000438 3C 2dz2 -0.000282 -0.001116 0.000053 -0.001819 0.002267 0.001773 3C 2dxz 0.000691 0.001738 -0.000181 0.004344 -0.004506 0.000653 3C 2dyz 0.000889 -0.000102 -0.000588 0.002390 -0.003377 0.001078 3C 2dx2y2 0.000551 0.000938 -0.000296 0.002455 -0.003038 -0.000755 3C 2dxy -0.001094 0.000930 0.000290 -0.004595 0.005789 0.000095 3C 1f0 -0.000092 -0.000034 0.000046 0.000027 0.000008 -0.000126 3C 1f+1 0.000015 0.000078 -0.000014 -0.000289 0.000330 0.000174 3C 1f-1 -0.000011 0.000002 -0.000040 0.000350 -0.000428 -0.000237 3C 1f+2 -0.000073 0.000033 -0.000033 0.000496 -0.000583 0.000291 3C 1f-2 0.000126 -0.000038 -0.000015 -0.000603 0.000615 -0.000026 3C 1f+3 0.000061 -0.000062 0.000016 0.000668 -0.000709 0.000289 3C 1f-3 0.000067 0.000008 -0.000047 0.000912 -0.000973 -0.000429 4C 1s -0.000159 -0.000039 -0.000063 -0.000003 0.000017 -0.004228 4C 2s -0.000362 -0.000063 -0.000148 0.000019 0.000051 -0.009439 4C 3s 0.000792 0.000181 0.001109 -0.001879 -0.000919 0.015790 4C 4s 0.001641 -0.001268 -0.005037 0.010622 0.003266 0.042353 4C 5s 0.012671 -0.003492 0.014616 0.007813 0.008192 0.059095 4C 1pz 0.003630 0.000501 0.011949 -0.003739 -0.014854 0.014047 4C 1px -0.008853 -0.000414 -0.036766 0.011289 0.046273 0.003147 4C 1py -0.000883 -0.000415 -0.006208 0.002236 0.008690 0.006334 4C 2pz 0.003103 0.000449 0.008582 0.000222 -0.019574 0.017347 4C 2px -0.003914 -0.001003 -0.027647 0.008977 0.064821 0.003943 4C 2py 0.000578 -0.001346 -0.004816 0.003206 0.012970 0.008169 4C 3pz -0.006254 -0.012716 -0.024629 -0.011928 -0.028183 0.074782 4C 3px 0.011317 0.005275 0.042859 0.010635 0.063542 0.030823 4C 3py 0.000792 0.003638 0.001641 -0.002936 0.007316 0.053564 4C 1dz2 0.000394 -0.002259 0.002594 0.001090 0.003209 -0.005851 4C 1dxz -0.000958 0.003028 -0.004402 -0.002059 -0.005585 -0.004723 4C 1dyz 0.000295 0.002684 0.000011 0.000045 0.000124 -0.005909 4C 1dx2y2 0.000380 0.003316 -0.000431 0.000073 -0.000346 0.006698 4C 1dxy -0.001613 -0.005521 -0.003123 -0.001552 -0.004419 0.000960 4C 2dz2 0.000185 -0.004197 0.005151 0.001879 0.002256 -0.012169 4C 2dxz -0.001537 0.007091 -0.008369 -0.004290 -0.004751 -0.012370 4C 2dyz -0.000051 0.005916 -0.000013 0.000695 0.000179 -0.009276 4C 2dx2y2 0.000971 0.007022 -0.001428 0.000398 0.000021 0.016839 4C 2dxy -0.001957 -0.013096 -0.006725 -0.002808 -0.003690 0.003850 4C 1f0 0.000355 -0.001035 0.001386 0.000624 0.002042 -0.000083 4C 1f+1 -0.000369 0.001107 -0.001351 -0.000829 -0.002087 -0.000469 4C 1f-1 0.000253 0.000670 0.000745 0.000222 0.000463 0.000201 4C 1f+2 -0.000177 0.000571 -0.000540 -0.000266 -0.001598 0.000141 4C 1f-2 -0.000616 -0.000703 -0.002041 -0.000919 -0.002236 -0.000073 4C 1f+3 -0.000443 -0.001257 -0.000939 -0.000644 -0.002360 0.000060 4C 1f-3 -0.000035 -0.000295 0.000367 -0.000235 -0.000860 -0.000280 5C 1s -0.000143 0.000033 -0.000088 0.000025 0.000040 0.004023 5C 2s -0.000330 0.000091 -0.000199 0.000019 0.000093 0.008952 5C 3s 0.001301 -0.000182 0.000023 0.001814 0.000006 -0.012997 5C 4s -0.001402 -0.000944 0.003119 -0.011471 -0.001248 -0.050106 5C 5s -0.006192 -0.003396 0.008308 -0.002095 -0.006316 -0.057837 5C 1pz -0.012056 0.000083 0.003329 -0.009684 0.011691 -0.005887 5C 1px 0.037090 0.000084 -0.009745 0.031040 -0.036844 -0.004497 5C 1py 0.005819 0.000076 -0.002272 0.006006 -0.006920 0.013392 5C 2pz -0.008139 0.000020 0.003779 -0.012227 0.017241 -0.008837 5C 2px 0.023758 0.000346 -0.008328 0.033497 -0.055817 -0.006337 5C 2py 0.003973 0.000775 -0.003440 0.008211 -0.009234 0.018094 5C 3pz 0.016252 -0.006524 -0.003071 -0.007280 0.015439 -0.033066 5C 3px -0.039028 -0.013578 0.011426 0.036202 -0.047689 -0.038351 5C 3py -0.013130 0.003125 0.001928 -0.000281 -0.013003 0.072813 5C 1dz2 -0.001693 -0.003466 0.000754 0.001653 -0.001521 0.001680 5C 1dxz 0.002368 0.005523 -0.001240 -0.002177 0.002161 0.005149 5C 1dyz 0.002256 -0.000165 -0.000476 -0.001892 0.001804 -0.004173 5C 1dx2y2 0.002875 0.000401 -0.000610 -0.002762 0.002399 -0.008370 5C 1dxy -0.004887 0.004379 0.000627 0.004247 -0.003964 -0.004750 5C 2dz2 -0.002344 -0.007334 0.001024 0.002807 -0.000694 0.006116 5C 2dxz 0.003744 0.013376 -0.002412 -0.002880 0.001227 0.012505 5C 2dyz 0.003958 -0.000426 -0.001060 -0.002072 0.000563 -0.004081 5C 2dx2y2 0.004806 0.000217 -0.000921 -0.003643 0.001036 -0.019765 5C 2dxy -0.008131 0.009396 0.002617 0.006373 -0.001921 -0.009847 5C 1f0 -0.000283 -0.001032 0.000004 0.000769 -0.000966 0.000303 5C 1f+1 0.000009 0.001075 -0.000033 -0.000372 0.000692 0.000315 5C 1f-1 0.001034 0.000669 -0.000282 -0.000830 0.000642 0.000121 5C 1f+2 0.001789 0.000554 -0.000392 -0.002039 0.002014 0.000174 5C 1f-2 -0.001393 -0.000805 0.000457 0.000629 -0.000340 -0.000248 5C 1f+3 0.001766 -0.001228 -0.000307 -0.001871 0.002037 0.000301 5C 1f-3 0.001896 -0.000254 -0.000348 -0.002004 0.001617 -0.000299 6C 1s -0.000137 -0.000031 -0.000089 -0.000019 -0.000044 0.004023 6C 2s -0.000316 -0.000086 -0.000203 -0.000006 -0.000103 0.008954 6C 3s 0.001306 0.000172 0.000027 -0.001842 -0.000010 -0.013002 6C 4s -0.001614 0.000942 0.003157 0.011501 0.001383 -0.050107 6C 5s -0.006693 0.003234 0.008379 0.001905 0.006503 -0.058379 6C 1pz 0.012109 0.000032 -0.003343 -0.009695 0.011718 0.005935 6C 1px -0.037076 0.000044 0.009733 0.031047 -0.036835 0.004443 6C 1py -0.005834 0.000018 0.002273 0.005963 -0.006881 -0.013393 6C 2pz 0.008221 -0.000045 -0.003818 -0.012223 0.017266 0.008915 6C 2px -0.023782 0.000346 0.008347 0.033474 -0.055862 0.006237 6C 2py -0.004043 0.000723 0.003448 0.008163 -0.009163 -0.018143 6C 3pz -0.016392 -0.006708 0.003083 -0.007498 0.015469 0.033255 6C 3px 0.038898 -0.013495 -0.011365 0.036314 -0.047553 0.038678 6C 3py 0.013390 0.003165 -0.001981 -0.000031 -0.013016 -0.072847 6C 1dz2 -0.001693 0.003478 0.000755 -0.001654 0.001519 0.001677 6C 1dxz 0.002371 -0.005525 -0.001239 0.002182 -0.002164 0.005146 6C 1dyz 0.002255 0.000163 -0.000477 0.001887 -0.001798 -0.004178 6C 1dx2y2 0.002868 -0.000403 -0.000610 0.002753 -0.002386 -0.008379 6C 1dxy -0.004893 -0.004380 0.000634 -0.004252 0.003972 -0.004738 6C 2dz2 -0.002340 0.007348 0.001020 -0.002814 0.000671 0.006125 6C 2dxz 0.003755 -0.013400 -0.002403 0.002881 -0.001236 0.012551 6C 2dyz 0.003974 0.000427 -0.001063 0.002074 -0.000541 -0.004062 6C 2dx2y2 0.004796 -0.000237 -0.000923 0.003646 -0.000983 -0.019788 6C 2dxy -0.008155 -0.009396 0.002635 -0.006427 0.001921 -0.009869 6C 1f0 0.000280 -0.001033 -0.000003 0.000766 -0.000965 -0.000306 6C 1f+1 -0.000010 0.001077 0.000031 -0.000368 0.000693 -0.000315 6C 1f-1 -0.001034 0.000668 0.000283 -0.000830 0.000641 -0.000119 6C 1f+2 -0.001788 0.000552 0.000394 -0.002040 0.002016 -0.000172 6C 1f-2 0.001396 -0.000807 -0.000457 0.000629 -0.000338 0.000251 6C 1f+3 -0.001770 -0.001231 0.000310 -0.001874 0.002043 -0.000298 6C 1f-3 -0.001893 -0.000253 0.000349 -0.002005 0.001613 0.000301 7C 1s -0.000165 0.000036 -0.000073 -0.000001 -0.000013 -0.004226 7C 2s -0.000375 0.000057 -0.000172 -0.000029 -0.000042 -0.009435 7C 3s 0.000834 -0.000171 0.001173 0.001897 0.000908 0.015774 7C 4s 0.001572 0.001282 -0.005117 -0.010578 -0.003300 0.042392 7C 5s 0.012839 0.003714 0.015184 -0.007779 -0.008617 0.058810 7C 1pz -0.003623 0.000438 -0.011930 -0.003753 -0.014797 -0.013829 7C 1px 0.008873 -0.000390 0.036813 0.011292 0.046292 -0.002937 7C 1py 0.000880 -0.000351 0.006182 0.002215 0.008657 -0.006739 7C 2pz -0.003084 0.000389 -0.008555 0.000218 -0.019518 -0.017156 7C 2px 0.003933 -0.001002 0.027684 0.008917 0.064848 -0.003716 7C 2py -0.000572 -0.001289 0.004797 0.003181 0.012941 -0.008566 7C 3pz 0.006390 -0.012555 0.025000 -0.011951 -0.028124 -0.074253 7C 3px -0.011278 0.004683 -0.042806 0.010832 0.063598 -0.031004 7C 3py -0.000723 0.003679 -0.001398 -0.002899 0.007279 -0.054388 7C 1dz2 0.000398 0.002271 0.002599 -0.001095 -0.003199 -0.005838 7C 1dxz -0.000951 -0.003045 -0.004393 0.002054 0.005594 -0.004705 7C 1dyz 0.000301 -0.002688 0.000026 -0.000049 -0.000113 -0.005918 7C 1dx2y2 0.000376 -0.003314 -0.000435 -0.000066 0.000337 0.006718 7C 1dxy -0.001622 0.005524 -0.003143 0.001552 0.004419 0.000966 7C 2dz2 0.000186 0.004212 0.005142 -0.001894 -0.002237 -0.012138 7C 2dxz -0.001529 -0.007152 -0.008347 0.004330 0.004785 -0.012364 7C 2dyz -0.000045 -0.005923 0.000003 -0.000705 -0.000160 -0.009305 7C 2dx2y2 0.000962 -0.007026 -0.001424 -0.000393 -0.000044 0.016886 7C 2dxy -0.001983 0.013098 -0.006784 0.002847 0.003681 0.003838 7C 1f0 -0.000353 -0.001041 -0.001380 0.000621 0.002039 0.000083 7C 1f+1 0.000367 0.001118 0.001349 -0.000828 -0.002092 0.000468 7C 1f-1 -0.000255 0.000666 -0.000749 0.000223 0.000463 -0.000202 7C 1f+2 0.000176 0.000571 0.000538 -0.000263 -0.001598 -0.000143 7C 1f-2 0.000617 -0.000694 0.002046 -0.000922 -0.002237 0.000076 7C 1f+3 0.000444 -0.001258 0.000946 -0.000643 -0.002363 -0.000060 7C 1f-3 0.000036 -0.000300 -0.000364 -0.000234 -0.000863 0.000278 8C 1s -0.000008 -0.000032 0.000065 -0.000059 0.000102 -0.008477 8C 2s -0.000043 -0.000065 0.000156 -0.000142 0.000246 -0.018927 8C 3s 0.000066 -0.000108 -0.000531 0.000652 -0.000759 0.036766 8C 4s -0.000323 0.001797 0.001462 -0.001606 0.001559 0.033614 8C 5s 0.016768 0.006330 -0.007192 -0.004962 -0.013844 0.062338 8C 1pz 0.003652 0.001569 -0.000319 0.004150 -0.002909 -0.021049 8C 1px -0.010506 0.002523 0.002425 -0.012962 0.009937 -0.018084 8C 1py -0.002677 0.002085 0.000096 -0.002557 0.001779 0.043764 8C 2pz 0.003410 -0.001103 -0.000682 0.004173 -0.002489 -0.018553 8C 2px -0.011196 -0.001483 0.002779 -0.010728 0.007205 -0.015160 8C 2py -0.002720 -0.000045 0.001068 -0.003314 0.001747 0.036788 8C 3pz 0.002243 0.008089 0.000460 0.002981 0.002801 0.014657 8C 3px -0.010248 0.024516 0.003279 -0.001889 -0.000268 -0.023379 8C 3py 0.000084 0.016505 -0.000012 -0.003988 -0.000926 0.020613 8C 1dz2 0.000127 0.000148 0.000012 0.000626 -0.000657 0.000175 8C 1dxz -0.000693 -0.000368 0.000074 -0.002026 0.002119 0.000564 8C 1dyz -0.000405 -0.000016 0.000075 -0.001401 0.001459 -0.000098 8C 1dx2y2 -0.000133 -0.000055 0.000006 -0.000801 0.000857 -0.000786 8C 1dxy 0.000287 -0.000237 -0.000055 0.001536 -0.001632 -0.000442 8C 2dz2 -0.000281 0.001123 0.000050 0.001789 -0.002248 0.001755 8C 2dxz 0.000689 -0.001739 -0.000175 -0.004334 0.004497 0.000660 8C 2dyz 0.000897 0.000110 -0.000590 -0.002402 0.003391 0.001091 8C 2dx2y2 0.000554 -0.000939 -0.000295 -0.002423 0.003013 -0.000738 8C 2dxy -0.001095 -0.000940 0.000290 0.004612 -0.005818 0.000080 8C 1f0 0.000092 -0.000034 -0.000046 0.000023 0.000014 0.000128 8C 1f+1 -0.000013 0.000078 0.000014 -0.000291 0.000332 -0.000180 8C 1f-1 0.000009 0.000001 0.000040 0.000351 -0.000430 0.000234 8C 1f+2 0.000074 0.000032 0.000032 0.000495 -0.000585 -0.000290 8C 1f-2 -0.000123 -0.000038 0.000014 -0.000601 0.000614 0.000020 8C 1f+3 -0.000059 -0.000062 -0.000017 0.000664 -0.000705 -0.000293 8C 1f-3 -0.000067 0.000008 0.000047 0.000914 -0.000975 0.000423 9C 1s 0.000114 0.000003 0.000090 -0.000092 -0.000227 0.008316 9C 2s 0.000267 0.000007 0.000242 -0.000212 -0.000517 0.018585 9C 3s -0.000817 -0.000120 -0.000805 0.000345 0.000840 -0.036386 9C 4s 0.001829 0.000595 0.002333 -0.000073 0.000596 -0.031439 9C 5s -0.014455 0.006400 -0.034112 0.018419 0.024357 -0.051169 9C 1pz -0.000400 0.001896 -0.002843 0.001642 0.003982 0.042024 9C 1px 0.003132 0.000289 0.008620 -0.005630 -0.013302 0.012687 9C 1py 0.001398 -0.003005 0.001590 -0.001315 -0.002736 0.027224 9C 2pz -0.001145 -0.001318 -0.003658 0.001015 0.003230 0.035104 9C 2px 0.002827 0.000643 0.009744 -0.005757 -0.011094 0.010367 9C 2py 0.001014 0.001007 0.001518 -0.001116 -0.002258 0.022255 9C 3pz 0.000335 0.016035 0.000519 -0.002766 -0.002227 0.007983 9C 3px 0.004138 -0.006667 0.010383 -0.001837 0.000783 0.030001 9C 3py 0.003329 -0.024689 0.004330 -0.003892 -0.002285 0.005975 9C 1dz2 -0.000087 0.000059 -0.000134 0.000405 0.001350 -0.000465 9C 1dxz 0.000184 -0.000121 0.000424 -0.000959 -0.003185 -0.000522 9C 1dyz -0.000075 -0.000147 -0.000236 0.000299 0.001007 -0.000315 9C 1dx2y2 -0.000080 -0.000272 -0.000317 0.000346 0.001171 0.000689 9C 1dxy 0.000061 0.000357 0.000234 -0.000595 -0.001993 0.000065 9C 2dz2 0.000244 -0.000058 0.001129 0.001186 0.004272 0.000825 9C 2dxz -0.000246 -0.000493 -0.001635 -0.002285 -0.008648 -0.000542 9C 2dyz 0.000412 -0.000556 0.000807 0.000704 0.001443 0.001349 9C 2dx2y2 -0.000108 -0.001193 -0.000048 0.000851 0.001783 0.001830 9C 2dxy -0.000027 0.002096 -0.000941 -0.001402 -0.006076 0.001062 9C 1f0 0.000028 0.000011 -0.000099 -0.000328 -0.001060 0.000007 9C 1f+1 -0.000063 0.000029 -0.000002 0.000200 0.000788 0.000341 9C 1f-1 -0.000015 0.000044 0.000054 -0.000108 -0.000371 0.000090 9C 1f+2 0.000042 0.000054 0.000132 0.000108 0.000391 -0.000053 9C 1f-2 -0.000012 -0.000090 0.000082 0.000385 0.001336 -0.000262 9C 1f+3 0.000033 -0.000048 0.000022 0.000121 0.000436 0.000272 9C 1f-3 0.000002 -0.000040 -0.000020 -0.000159 -0.000521 0.000366 10H 1s -0.001482 0.000388 -0.004306 -0.005139 -0.015493 0.003757 10H 2s -0.002832 0.000323 -0.008867 -0.007273 -0.025714 0.004448 10H 3s 0.003513 0.011244 0.008151 -0.008771 -0.038002 0.068540 10H 1pz -0.000009 0.000155 0.000052 0.000291 0.000899 -0.001968 10H 1px 0.000278 0.000266 0.000814 0.000219 0.000562 0.000768 10H 1py -0.000024 -0.000195 0.000213 0.000215 0.000672 -0.000867 11H 1s 0.000584 -0.000422 0.001462 0.001852 0.005676 0.003005 11H 2s 0.001962 -0.002151 0.005346 0.003152 0.011176 0.000644 11H 3s 0.002528 0.018624 0.003939 0.007028 0.020638 0.028791 11H 1pz 0.000095 -0.000024 0.000246 -0.000046 -0.000079 -0.002075 11H 1px 0.000003 -0.000486 0.000163 -0.000129 -0.000109 -0.001153 11H 1py -0.000124 0.000355 -0.000277 -0.000144 -0.000352 -0.001016 12H 1s 0.001187 0.000043 0.002811 0.003423 0.010238 0.002784 12H 2s 0.002512 0.002221 0.008216 0.005907 0.018572 0.001174 12H 3s 0.000672 -0.028226 0.003541 0.007742 0.031629 0.036882 12H 1pz -0.000157 -0.000573 -0.000290 -0.000250 -0.000636 -0.001531 12H 1px 0.000038 0.000394 0.000209 -0.000074 -0.000081 -0.001173 12H 1py 0.000066 0.000524 0.000442 0.000006 -0.000162 -0.001514 13H 1s 0.005575 0.000015 -0.000915 -0.011923 0.011423 -0.003804 13H 2s 0.011227 0.000228 -0.001895 -0.019915 0.019769 -0.004751 13H 3s -0.003414 -0.015290 0.002254 -0.022477 0.029240 -0.069484 13H 1pz 0.000329 0.000279 -0.000102 0.000037 -0.000189 0.001304 13H 1px -0.000860 -0.000270 0.000170 0.000675 -0.000551 -0.000491 13H 1py 0.000190 0.000246 -0.000076 -0.000602 0.000614 -0.001835 14H 1s -0.004154 -0.000287 0.000748 0.009098 -0.008697 -0.003028 14H 2s -0.010012 -0.002479 0.001744 0.014977 -0.016205 -0.000943 14H 3s -0.001676 0.028695 -0.000034 0.019307 -0.024856 -0.046131 14H 1pz -0.000224 -0.000232 -0.000009 -0.000065 0.000169 0.000878 14H 1px -0.000537 -0.000645 0.000073 0.000046 -0.000038 0.001835 14H 1py -0.000343 -0.000527 0.000130 0.000562 -0.000542 -0.001536 15H 1s -0.001206 0.000332 0.000277 0.003081 -0.002923 -0.002810 15H 2s -0.004279 0.002298 0.001421 0.005650 -0.005622 0.000197 15H 3s -0.001126 -0.013126 0.001393 0.006783 -0.011955 -0.024532 15H 1pz 0.000215 -0.000461 -0.000073 -0.000155 0.000060 0.000592 15H 1px 0.000129 0.000275 -0.000063 -0.000286 0.000174 0.001119 15H 1py 0.000323 -0.000167 -0.000102 -0.000065 -0.000050 -0.002245 16H 1s 0.002322 0.000137 0.010390 -0.006648 -0.001607 -0.000258 16H 2s 0.005032 0.001475 0.017428 -0.009173 0.004247 0.002411 16H 3s 0.000293 0.000297 0.017127 -0.032743 -0.004134 0.003767 16H 1pz 0.001016 0.000137 0.000230 0.001519 0.000888 0.000253 16H 1px -0.000481 -0.000020 0.000963 -0.004270 -0.001606 -0.000503 16H 1py -0.001768 0.000105 -0.000210 -0.001106 -0.000250 -0.000036 17H 1s 0.009419 0.000214 -0.004846 -0.007054 -0.001770 -0.000251 17H 2s 0.016364 0.002472 -0.007527 -0.007626 -0.006800 -0.003532 17H 3s 0.012378 0.001048 -0.009563 -0.030679 -0.016133 -0.006551 17H 1pz -0.001045 -0.000079 -0.000014 0.001499 0.000165 -0.000010 17H 1px -0.000344 -0.000252 -0.001184 -0.004621 -0.000528 0.000236 17H 1py -0.001237 0.000141 -0.001233 -0.001167 0.000016 0.000079 18H 1s 0.009326 -0.000205 -0.005070 0.007021 0.001752 -0.000252 18H 2s 0.016217 -0.002575 -0.007821 0.007618 0.006553 -0.003387 18H 3s 0.012162 -0.001047 -0.009827 0.030607 0.015914 -0.006386 18H 1pz 0.001037 -0.000087 -0.000038 0.001506 0.000169 0.000007 18H 1px 0.000351 -0.000273 0.001183 -0.004612 -0.000550 -0.000219 18H 1py 0.001285 0.000144 0.001216 -0.001170 0.000028 -0.000085 19H 1s 0.002564 -0.000130 0.010315 0.006650 0.001597 -0.000255 19H 2s 0.005403 -0.001335 0.017307 0.009274 -0.004392 0.002484 19H 3s 0.000637 -0.000278 0.017091 0.032783 0.004096 0.003768 19H 1pz -0.001061 0.000117 -0.000212 0.001518 0.000892 -0.000258 19H 1px 0.000442 -0.000006 -0.000959 -0.004267 -0.001620 0.000509 19H 1py 0.001745 0.000105 0.000152 -0.001116 -0.000228 0.000028 20H 1s -0.001248 -0.000356 0.000286 -0.003185 0.003023 -0.002803 20H 2s -0.004417 -0.002388 0.001459 -0.005846 0.005832 0.000211 20H 3s -0.001243 0.013409 0.001409 -0.007100 0.012307 -0.024741 20H 1pz -0.000224 -0.000472 0.000076 -0.000164 0.000067 -0.000588 20H 1px -0.000123 0.000279 0.000060 -0.000284 0.000173 -0.001131 20H 1py -0.000327 -0.000171 0.000104 -0.000062 -0.000053 0.002241 21H 1s -0.004130 0.000309 0.000749 -0.009035 0.008632 -0.003002 21H 2s -0.010004 0.002521 0.001749 -0.014901 0.016126 -0.000880 21H 3s -0.001798 -0.028698 0.000040 -0.019263 0.024754 -0.045639 21H 1pz 0.000231 -0.000234 0.000009 -0.000059 0.000163 -0.000886 21H 1px 0.000533 -0.000645 -0.000071 0.000043 -0.000037 -0.001832 21H 1py 0.000342 -0.000529 -0.000129 0.000559 -0.000539 0.001538 22H 1s 0.005585 -0.000015 -0.000923 0.011946 -0.011442 -0.003834 22H 2s 0.011216 -0.000208 -0.001905 0.019929 -0.019778 -0.004846 22H 3s -0.003525 0.014926 0.002247 0.022425 -0.029246 -0.069901 22H 1pz -0.000323 0.000277 0.000101 0.000041 -0.000193 -0.001304 22H 1px 0.000864 -0.000262 -0.000171 0.000679 -0.000552 0.000493 22H 1py -0.000187 0.000246 0.000075 -0.000600 0.000612 0.001833 23H 1s 0.001171 -0.000066 0.002766 -0.003364 -0.010072 0.002811 23H 2s 0.002498 -0.002288 0.008190 -0.005826 -0.018320 0.001166 23H 3s 0.000661 0.028037 0.003602 -0.007638 -0.031398 0.036339 23H 1pz 0.000155 -0.000572 0.000284 -0.000243 -0.000623 0.001535 23H 1px -0.000037 0.000391 -0.000201 -0.000076 -0.000088 0.001160 23H 1py -0.000067 0.000528 -0.000450 0.000008 -0.000158 0.001529 24H 1s 0.000601 0.000446 0.001507 -0.001919 -0.005893 0.002950 24H 2s 0.002018 0.002260 0.005499 -0.003269 -0.011576 0.000557 24H 3s 0.002590 -0.019169 0.004038 -0.007142 -0.021318 0.028925 24H 1pz -0.000097 -0.000026 -0.000249 -0.000046 -0.000091 0.002054 24H 1px -0.000010 -0.000501 -0.000178 -0.000125 -0.000101 0.001167 24H 1py 0.000123 0.000366 0.000278 -0.000149 -0.000364 0.001032 25H 1s -0.001495 -0.000386 -0.004330 0.005155 0.015524 0.003789 25H 2s -0.002861 -0.000349 -0.008897 0.007293 0.025755 0.004571 25H 3s 0.003476 -0.010448 0.008189 0.008860 0.037966 0.068970 25H 1pz 0.000010 0.000156 -0.000050 0.000293 0.000896 0.001959 25H 1px -0.000280 0.000248 -0.000817 0.000218 0.000564 -0.000769 25H 1py 0.000021 -0.000198 -0.000223 0.000220 0.000680 0.000874 26O 1s -0.000515 -0.000106 -0.002722 0.002875 0.010882 0.007145 26O 2s -0.001230 -0.000249 -0.006546 0.006989 0.026501 0.017367 26O 3s 0.001789 0.000284 0.009923 -0.011583 -0.044264 -0.028966 26O 4s 0.003867 0.001152 0.017549 -0.016061 -0.061963 -0.040404 26O 5s -0.003803 0.001705 0.023040 -0.032246 -0.135838 -0.116792 26O 1pz -0.014175 0.051716 -0.062530 -0.034406 -0.094699 -0.091134 26O 1px 0.019597 0.029613 0.061415 0.008583 0.012399 -0.020603 26O 1py -0.014028 -0.080481 -0.011438 -0.019495 -0.055400 -0.062093 26O 2pz -0.012440 0.043292 -0.054889 -0.029859 -0.081429 -0.076898 26O 2px 0.015952 0.024567 0.047467 0.008299 0.017281 -0.012725 26O 2py -0.012019 -0.067669 -0.012954 -0.016945 -0.045139 -0.051062 26O 3pz -0.006402 0.035429 -0.032382 -0.029423 -0.078715 -0.087306 26O 3px 0.017491 0.017783 0.038874 0.005783 0.031534 0.006479 26O 3py -0.010454 -0.054291 -0.000355 -0.014707 -0.038418 -0.048807 26O 1dz2 0.000174 -0.000516 0.001018 0.000201 0.000349 0.000079 26O 1dxz -0.000115 -0.000901 -0.000135 0.000583 0.001717 0.001469 26O 1dyz 0.000071 0.000040 0.000178 0.000570 0.001932 0.001482 26O 1dx2y2 -0.000432 -0.001138 -0.001044 -0.000269 -0.000406 -0.000211 26O 1dxy -0.000037 0.000805 -0.001080 0.000361 0.001430 0.001316 26O 2dz2 0.001071 -0.002791 0.002512 0.000720 0.003272 0.002005 26O 2dxz -0.000932 -0.002890 -0.001820 0.001635 0.005044 0.003726 26O 2dyz -0.000724 0.000796 0.000054 0.001197 0.005958 0.004609 26O 2dx2y2 -0.001276 -0.003730 -0.001941 -0.001613 -0.003557 -0.002124 26O 2dxy 0.000142 0.002257 -0.003707 0.000189 0.002252 0.002305 26O 1f0 0.000171 -0.000709 0.000276 0.000191 0.000430 0.000528 26O 1f+1 -0.000237 -0.000067 -0.000688 0.000044 -0.000034 -0.000006 26O 1f-1 -0.000020 0.000194 0.000074 0.000213 0.000977 0.000909 26O 1f+2 0.000017 -0.000028 -0.000058 -0.000291 -0.000733 -0.000795 26O 1f-2 -0.000087 -0.000018 -0.000621 -0.000135 -0.000169 -0.000270 26O 1f+3 -0.000065 -0.000605 -0.000383 -0.000118 -0.000178 -0.000277 26O 1f-3 -0.000031 0.000378 -0.000216 0.000189 0.000259 0.000327 27O 1s 0.002893 0.000019 -0.000735 0.007295 -0.008491 -0.007511 27O 2s 0.006951 0.000026 -0.001779 0.017739 -0.020685 -0.018256 27O 3s -0.010582 0.000259 0.002863 -0.029371 0.034488 0.030264 27O 4s -0.018968 -0.001950 0.004228 -0.043446 0.048862 0.043906 27O 5s -0.010884 0.010519 0.005100 -0.063851 0.108417 0.120208 27O 1pz 0.050266 0.080902 -0.019350 -0.051637 0.046674 0.056015 27O 1px -0.061330 0.016147 0.012479 0.001411 0.005834 0.036595 27O 1py -0.060296 0.055334 0.007935 0.073599 -0.066283 -0.092907 27O 2pz 0.043484 0.067742 -0.016352 -0.045339 0.040347 0.048166 27O 2px -0.048342 0.013389 0.009253 0.003119 -0.001565 0.025248 27O 2py -0.053186 0.046660 0.007694 0.063637 -0.055858 -0.077560 27O 3pz 0.028427 0.055040 -0.015115 -0.037433 0.042791 0.055085 27O 3px -0.040594 0.009585 0.009295 0.005289 -0.017153 0.005303 27O 3py -0.034032 0.035705 -0.000994 0.055155 -0.052550 -0.085575 27O 1dz2 -0.000765 -0.000327 0.000223 -0.000549 0.000757 0.000857 27O 1dxz -0.000261 -0.001258 0.000262 0.000956 -0.000895 -0.001011 27O 1dyz 0.000231 0.000461 -0.000134 -0.000643 0.000840 0.000790 27O 1dx2y2 0.001617 -0.000685 -0.000285 -0.000393 0.000058 -0.000035 27O 1dxy -0.000303 -0.000682 0.000240 -0.001592 0.001693 0.001880 27O 2dz2 -0.002737 -0.002102 -0.000084 -0.000800 0.000914 0.000902 27O 2dxz 0.000565 -0.003893 0.001024 0.003182 -0.003377 -0.003246 27O 2dyz 0.000429 0.001911 -0.000186 -0.002254 0.003240 0.003200 27O 2dx2y2 0.004172 -0.002828 -0.001026 -0.002220 0.003090 0.002711 27O 2dxy -0.002468 -0.002239 0.001653 -0.004733 0.004948 0.004723 27O 1f0 -0.000175 -0.000548 -0.000009 -0.000128 0.000283 0.000173 27O 1f+1 0.000303 -0.000198 0.000009 0.000167 0.000004 -0.000090 27O 1f-1 0.000205 0.000400 0.000049 -0.000210 0.000209 0.000294 27O 1f+2 0.000381 0.000381 -0.000109 -0.000569 0.000656 0.000894 27O 1f-2 -0.000515 -0.000143 0.000107 -0.000267 0.000273 0.000313 27O 1f+3 0.000763 -0.000283 -0.000243 0.000207 -0.000108 -0.000038 27O 1f-3 0.000298 -0.000613 -0.000100 -0.000669 0.000487 0.000836 28O 1s 0.000751 0.000167 0.002912 -0.002796 -0.010911 0.007185 28O 2s 0.001801 0.000381 0.007014 -0.006792 -0.026578 0.017432 28O 3s -0.002691 -0.000313 -0.010799 0.011299 0.044527 -0.028526 28O 4s -0.005194 -0.002580 -0.018761 0.016684 0.061915 -0.043948 28O 5s -0.001686 0.007226 -0.015911 0.015423 0.129765 -0.102613 28O 1pz -0.000840 -0.051655 0.016955 0.023838 0.075334 -0.091391 28O 1px 0.018875 -0.032715 0.078145 0.018933 0.043248 -0.015095 28O 1py 0.020045 0.081334 0.036552 0.023370 0.064738 -0.060470 28O 2pz 0.000190 -0.043705 0.018451 0.022035 0.061626 -0.074238 28O 2px 0.015783 -0.027581 0.063301 0.016118 0.042440 -0.016960 28O 2py 0.016922 0.068331 0.032522 0.020636 0.055746 -0.051085 28O 3pz -0.002025 -0.034811 0.004928 0.018685 0.048520 -0.074466 28O 3px 0.010022 -0.020335 0.050577 0.009034 0.054236 -0.038148 28O 3py 0.016158 0.052697 0.017329 0.018141 0.052011 -0.058071 28O 1dz2 0.000148 0.001177 -0.000081 -0.000551 -0.001838 0.001468 28O 1dxz -0.000434 -0.000024 -0.001528 0.000088 0.000836 -0.000933 28O 1dyz -0.000162 -0.000849 -0.000057 -0.000575 -0.001978 0.001548 28O 1dx2y2 0.000250 0.000061 0.000954 0.000372 0.000535 -0.000310 28O 1dxy 0.000118 0.000923 -0.000294 0.000248 0.000618 -0.000605 28O 2dz2 0.000650 0.004415 0.001163 -0.001736 -0.006024 0.004627 28O 2dxz -0.001773 0.000121 -0.004616 0.000238 -0.000264 -0.000372 28O 2dyz -0.000377 -0.002930 0.000534 -0.001436 -0.006452 0.004953 28O 2dx2y2 -0.000046 0.000903 0.002296 0.000939 0.003615 -0.002582 28O 2dxy 0.000753 0.002519 -0.001870 0.000722 0.001251 -0.001241 28O 1f0 0.000159 0.000041 0.000517 -0.000013 0.000149 -0.000243 28O 1f+1 -0.000073 0.000727 -0.000183 -0.000331 -0.000657 0.000808 28O 1f-1 0.000056 0.000207 0.000297 -0.000116 -0.000679 0.000584 28O 1f+2 -0.000218 0.000300 -0.000461 0.000222 0.000419 -0.000345 28O 1f-2 -0.000123 -0.000423 -0.000477 -0.000188 -0.000626 0.000718 28O 1f+3 -0.000015 -0.000105 -0.000413 -0.000046 -0.000316 0.000415 28O 1f-3 0.000039 -0.000591 0.000149 -0.000176 -0.000242 0.000349 29O 1s 0.001558 0.000142 0.000617 -0.008847 -0.002346 -0.000368 29O 2s 0.003786 0.000346 0.001497 -0.021594 -0.005736 -0.000896 29O 3s -0.006382 -0.000515 -0.002507 0.036710 0.009898 0.001520 29O 4s -0.006939 -0.000668 -0.002813 0.048875 0.012939 0.002063 29O 5s -0.017516 -0.003759 -0.007361 0.066729 0.018332 0.002639 29O 1pz 0.009094 -0.000457 -0.011830 0.031003 0.009362 0.002297 29O 1px -0.015514 0.001062 -0.014184 -0.092557 -0.019672 -0.002240 29O 1py -0.041123 -0.000001 -0.017862 -0.025542 -0.005794 -0.000855 29O 2pz 0.008083 -0.000369 -0.010725 0.025972 0.008232 0.001928 29O 2px -0.012607 0.000745 -0.011900 -0.077741 -0.016388 -0.001878 29O 2py -0.033817 0.000307 -0.014577 -0.021072 -0.004671 -0.000616 29O 3pz 0.003433 -0.000517 0.005485 0.025308 0.015272 0.006349 29O 3px -0.019564 0.000280 -0.009770 -0.081184 -0.016077 -0.000261 29O 3py -0.024249 0.001258 -0.011956 -0.025418 -0.006363 -0.001915 29O 1dz2 -0.000185 0.000003 0.000565 0.000413 0.000154 0.000038 29O 1dxz 0.000407 0.000009 -0.000545 0.000866 0.000209 0.000027 29O 1dyz 0.000013 -0.000004 0.000555 -0.000116 0.000062 0.000041 29O 1dx2y2 -0.000304 0.000010 -0.000421 -0.001405 -0.000364 -0.000067 29O 1dxy -0.000674 -0.000025 -0.000046 0.000383 0.000104 0.000021 29O 2dz2 -0.001373 0.000355 0.002558 0.001510 0.000244 -0.000015 29O 2dxz 0.001510 0.000063 -0.003420 0.003833 0.001314 0.000310 29O 2dyz 0.000961 -0.000155 0.001210 -0.000706 -0.000040 0.000119 29O 2dx2y2 -0.000356 0.000439 -0.001846 -0.006094 -0.001230 0.000052 29O 2dxy -0.003379 0.000046 -0.000939 0.002367 0.000635 0.000200 29O 1f0 0.000120 0.000058 -0.000142 0.000560 0.000208 0.000061 29O 1f+1 -0.000012 -0.000051 -0.000446 -0.000559 -0.000085 0.000012 29O 1f-1 -0.000284 -0.000007 -0.000361 -0.000358 -0.000002 0.000033 29O 1f+2 -0.000025 -0.000022 0.000263 -0.000427 -0.000115 -0.000011 29O 1f-2 -0.000478 0.000049 0.000132 -0.000483 -0.000236 -0.000095 29O 1f+3 0.000500 0.000047 0.000031 -0.000145 0.000004 0.000033 29O 1f-3 -0.000269 0.000017 -0.000271 -0.000806 -0.000112 0.000033 30O 1s -0.002675 -0.000019 0.000860 -0.007438 0.008534 -0.007562 30O 2s -0.006417 -0.000046 0.002063 -0.018114 0.020791 -0.018357 30O 3s 0.009579 0.000001 -0.003032 0.030338 -0.034721 0.030068 30O 4s 0.018080 0.000803 -0.005802 0.041189 -0.048877 0.046402 30O 5s 0.011790 -0.000441 -0.011939 0.082835 -0.106839 0.109923 30O 1pz -0.001381 -0.083002 0.007182 0.034473 -0.034389 0.056805 30O 1px -0.093676 -0.016542 0.023245 0.053764 -0.042950 0.034247 30O 1py 0.032901 -0.055713 -0.000287 -0.064372 0.059667 -0.092904 30O 2pz -0.003969 -0.070106 0.006955 0.028060 -0.026931 0.045856 30O 2px -0.077139 -0.013843 0.018536 0.049012 -0.041695 0.033586 30O 2py 0.030811 -0.046447 -0.001712 -0.054173 0.048322 -0.075598 30O 3pz 0.002330 -0.055196 0.009217 0.025706 -0.017848 0.040655 30O 3px -0.059693 -0.009432 0.012051 0.049778 -0.052455 0.055169 30O 3py 0.018093 -0.035255 0.003667 -0.047613 0.041370 -0.079421 30O 1dz2 0.000189 0.001353 -0.000268 -0.000129 -0.000008 -0.000032 30O 1dxz 0.001168 -0.000446 -0.000242 -0.000054 -0.000126 0.000199 30O 1dyz 0.000414 -0.000410 -0.000108 0.001597 -0.001808 0.001912 30O 1dx2y2 -0.000633 0.000519 0.000059 0.001376 -0.001283 0.001373 30O 1dxy -0.001181 -0.000664 0.000469 -0.000146 0.000235 -0.000373 30O 2dz2 0.000106 0.004907 -0.000462 -0.000862 0.000521 -0.000600 30O 2dxz 0.003127 -0.000892 0.000572 -0.001286 0.001361 -0.001296 30O 2dyz 0.002282 -0.001727 -0.000538 0.003743 -0.005115 0.004918 30O 2dx2y2 -0.000137 0.002498 0.000046 0.005261 -0.005119 0.005103 30O 2dxy -0.003260 -0.001372 0.001868 0.000907 -0.001356 0.001196 30O 1f0 -0.000199 -0.000065 -0.000014 0.000262 -0.000432 0.000477 30O 1f+1 -0.000019 0.000785 0.000060 -0.000243 0.000137 -0.000283 30O 1f-1 0.000262 0.000000 -0.000102 -0.000106 0.000047 -0.000180 30O 1f+2 0.000616 -0.000107 -0.000080 0.000024 -0.000167 -0.000060 30O 1f-2 -0.000078 -0.000297 -0.000014 0.000652 -0.000613 0.000836 30O 1f+3 0.000243 -0.000449 -0.000184 -0.000705 0.000615 -0.000989 30O 1f-3 0.000747 0.000385 -0.000200 0.000034 0.000063 -0.000145 31O 1s -0.002681 0.000011 0.000860 0.007430 -0.008524 -0.007581 31O 2s -0.006430 0.000026 0.002064 0.018096 -0.020766 -0.018404 31O 3s 0.009595 0.000029 -0.003034 -0.030304 0.034685 0.030147 31O 4s 0.018115 -0.000752 -0.005798 -0.041156 0.048790 0.046508 31O 5s 0.012022 0.000459 -0.012023 -0.082722 0.106763 0.110316 31O 1pz 0.001319 -0.083151 -0.007114 0.034381 -0.034274 -0.056842 31O 1px 0.093693 -0.016604 -0.023286 0.053735 -0.042888 -0.034336 31O 1py -0.032886 -0.055756 0.000356 -0.064308 0.059571 0.093063 31O 2pz 0.003920 -0.070255 -0.006902 0.027996 -0.026828 -0.045858 31O 2px 0.077137 -0.013895 -0.018571 0.048968 -0.041639 -0.033680 31O 2py -0.030817 -0.046480 0.001769 -0.054147 0.048241 0.075719 31O 3pz -0.002277 -0.055253 -0.009183 0.025603 -0.017816 -0.040698 31O 3px 0.059614 -0.009463 -0.012008 0.049782 -0.052383 -0.055397 31O 3py -0.018102 -0.035230 -0.003577 -0.047383 0.041364 0.079540 31O 1dz2 0.000189 -0.001356 -0.000267 0.000129 0.000010 -0.000030 31O 1dxz 0.001170 0.000447 -0.000243 0.000056 0.000126 0.000199 31O 1dyz 0.000415 0.000412 -0.000108 -0.001596 0.001805 0.001916 31O 1dx2y2 -0.000633 -0.000519 0.000061 -0.001375 0.001281 0.001376 31O 1dxy -0.001183 0.000666 0.000469 0.000146 -0.000235 -0.000373 31O 2dz2 0.000105 -0.004921 -0.000462 0.000858 -0.000516 -0.000600 31O 2dxz 0.003124 0.000894 0.000572 0.001287 -0.001364 -0.001307 31O 2dyz 0.002276 0.001728 -0.000536 -0.003737 0.005110 0.004919 31O 2dx2y2 -0.000130 -0.002499 0.000049 -0.005259 0.005114 0.005120 31O 2dxy -0.003255 0.001371 0.001870 -0.000911 0.001357 0.001204 31O 1f0 0.000199 -0.000066 0.000014 0.000261 -0.000431 -0.000478 31O 1f+1 0.000019 0.000787 -0.000060 -0.000242 0.000136 0.000282 31O 1f-1 -0.000262 0.000001 0.000102 -0.000108 0.000048 0.000182 31O 1f+2 -0.000616 -0.000108 0.000080 0.000024 -0.000167 0.000061 31O 1f-2 0.000078 -0.000298 0.000014 0.000651 -0.000612 -0.000837 31O 1f+3 -0.000244 -0.000449 0.000185 -0.000704 0.000615 0.000991 31O 1f-3 -0.000747 0.000386 0.000199 0.000034 0.000062 0.000145 32O 1s 0.001582 -0.000140 0.000575 0.008842 0.002341 -0.000372 32O 2s 0.003845 -0.000340 0.001395 0.021583 0.005723 -0.000905 32O 3s -0.006474 0.000507 -0.002339 -0.036692 -0.009874 0.001531 32O 4s -0.007083 0.000656 -0.002585 -0.048846 -0.012961 0.002121 32O 5s -0.017686 0.003731 -0.007091 -0.066771 -0.017932 0.002436 32O 1pz -0.009633 -0.000485 0.011669 0.031183 0.009403 -0.002308 32O 1px 0.015376 0.001079 0.013753 -0.092528 -0.019737 0.002328 32O 1py 0.041441 0.000051 0.017252 -0.025621 -0.005767 0.000841 32O 2pz -0.008517 -0.000432 0.010600 0.026128 0.008272 -0.001943 32O 2px 0.012509 0.000745 0.011550 -0.077714 -0.016454 0.001953 32O 2py 0.034062 0.000347 0.014095 -0.021152 -0.004628 0.000598 32O 3pz -0.003919 -0.000672 -0.005575 0.025412 0.015293 -0.006342 32O 3px 0.019447 0.000254 0.009350 -0.081134 -0.016262 0.000440 32O 3py 0.024583 0.001293 0.011272 -0.025539 -0.006006 0.001685 32O 1dz2 -0.000171 -0.000003 0.000545 -0.000424 -0.000154 0.000037 32O 1dxz 0.000407 -0.000010 -0.000562 -0.000850 -0.000206 0.000027 32O 1dyz 0.000010 0.000007 0.000559 0.000126 -0.000062 0.000041 32O 1dx2y2 -0.000303 -0.000011 -0.000425 0.001410 0.000370 -0.000070 32O 1dxy -0.000673 0.000025 -0.000052 -0.000378 -0.000100 0.000019 32O 2dz2 -0.001344 -0.000360 0.002512 -0.001563 -0.000287 0.000005 32O 2dxz 0.001507 -0.000053 -0.003471 -0.003749 -0.001297 0.000309 32O 2dyz 0.000932 0.000135 0.001212 0.000730 0.000057 0.000115 32O 2dx2y2 -0.000363 -0.000436 -0.001836 0.006139 0.001215 0.000061 32O 2dxy -0.003374 -0.000058 -0.000945 -0.002353 -0.000655 0.000215 32O 1f0 -0.000131 0.000056 0.000130 0.000571 0.000212 -0.000063 32O 1f+1 0.000004 -0.000054 0.000445 -0.000546 -0.000084 -0.000011 32O 1f-1 0.000290 -0.000006 0.000355 -0.000353 0.000003 -0.000035 32O 1f+2 0.000012 -0.000022 -0.000269 -0.000425 -0.000116 0.000012 32O 1f-2 0.000484 0.000050 -0.000137 -0.000500 -0.000237 0.000094 32O 1f+3 -0.000496 0.000046 -0.000031 -0.000142 0.000003 -0.000032 32O 1f-3 0.000264 0.000017 0.000271 -0.000799 -0.000109 -0.000033 33O 1s 0.000753 -0.000164 0.002917 0.002801 0.010904 0.007195 33O 2s 0.001806 -0.000375 0.007024 0.006804 0.026561 0.017455 33O 3s -0.002697 0.000310 -0.010809 -0.011312 -0.044501 -0.028553 33O 4s -0.005221 0.002515 -0.018827 -0.016750 -0.061859 -0.044066 33O 5s -0.001584 -0.006992 -0.015731 -0.015215 -0.129638 -0.102463 33O 1pz 0.000807 -0.051946 -0.017041 0.023927 0.075241 0.091302 33O 1px -0.018941 -0.032818 -0.078248 0.018943 0.043226 0.014991 33O 1py -0.020189 0.081367 -0.036856 0.023410 0.064663 0.060801 33O 2pz -0.000216 -0.043957 -0.018518 0.022143 0.061562 0.074162 33O 2px -0.015841 -0.027666 -0.063391 0.016102 0.042419 0.016890 33O 2py -0.017042 0.068371 -0.032782 0.020688 0.055688 0.051342 33O 3pz 0.001985 -0.034994 -0.005079 0.018619 0.048474 0.074371 33O 3px -0.010104 -0.020372 -0.050669 0.009064 0.054204 0.038061 33O 3py -0.016281 0.052626 -0.017565 0.018025 0.051866 0.058471 33O 1dz2 0.000148 -0.001182 -0.000082 0.000553 0.001834 0.001471 33O 1dxz -0.000435 0.000025 -0.001528 -0.000089 -0.000836 -0.000936 33O 1dyz -0.000164 0.000847 -0.000059 0.000576 0.001978 0.001549 33O 1dx2y2 0.000252 -0.000060 0.000958 -0.000372 -0.000535 -0.000310 33O 1dxy 0.000119 -0.000927 -0.000293 -0.000249 -0.000619 -0.000604 33O 2dz2 0.000649 -0.004419 0.001162 0.001737 0.006008 0.004640 33O 2dxz -0.001779 -0.000117 -0.004622 -0.000250 0.000254 -0.000376 33O 2dyz -0.000375 0.002933 0.000534 0.001442 0.006447 0.004949 33O 2dx2y2 -0.000044 -0.000903 0.002305 -0.000941 -0.003623 -0.002589 33O 2dxy 0.000754 -0.002532 -0.001870 -0.000722 -0.001245 -0.001235 33O 1f0 -0.000160 0.000039 -0.000518 -0.000013 0.000148 0.000242 33O 1f+1 0.000073 0.000730 0.000184 -0.000331 -0.000656 -0.000810 33O 1f-1 -0.000057 0.000204 -0.000298 -0.000116 -0.000677 -0.000583 33O 1f+2 0.000220 0.000298 0.000462 0.000223 0.000418 0.000345 33O 1f-2 0.000124 -0.000423 0.000478 -0.000188 -0.000624 -0.000718 33O 1f+3 0.000016 -0.000105 0.000415 -0.000046 -0.000316 -0.000417 33O 1f-3 -0.000039 -0.000593 -0.000148 -0.000176 -0.000241 -0.000348 34O 1s 0.002890 -0.000012 -0.000732 -0.007303 0.008497 -0.007497 34O 2s 0.006942 -0.000010 -0.001772 -0.017758 0.020700 -0.018224 34O 3s -0.010566 -0.000283 0.002848 0.029394 -0.034511 0.030225 34O 4s -0.018967 0.001899 0.004221 0.043540 -0.048904 0.043739 34O 5s -0.010758 -0.010517 0.005094 0.063709 -0.108647 0.120513 34O 1pz -0.050284 0.080959 0.019347 -0.051686 0.046700 -0.055927 34O 1px 0.061302 0.016198 -0.012492 0.001378 0.005866 -0.036610 34O 1py 0.060337 0.055334 -0.008027 0.073726 -0.066431 0.092817 34O 2pz -0.043501 0.067793 0.016341 -0.045385 0.040371 -0.048083 34O 2px 0.048326 0.013441 -0.009266 0.003072 -0.001575 -0.025260 34O 2py 0.053221 0.046652 -0.007776 0.063766 -0.055969 0.077486 34O 3pz -0.028441 0.055088 0.015162 -0.037455 0.042852 -0.055060 34O 3px 0.040586 0.009644 -0.009243 0.005274 -0.017132 -0.005312 34O 3py 0.034056 0.035681 0.000940 0.055069 -0.052719 0.085458 34O 1dz2 -0.000763 0.000326 0.000223 0.000549 -0.000759 0.000856 34O 1dxz -0.000261 0.001259 0.000262 -0.000957 0.000896 -0.001008 34O 1dyz 0.000230 -0.000462 -0.000134 0.000643 -0.000840 0.000788 34O 1dx2y2 0.001617 0.000684 -0.000286 0.000392 -0.000058 -0.000035 34O 1dxy -0.000302 0.000681 0.000238 0.001595 -0.001696 0.001879 34O 2dz2 -0.002743 0.002099 -0.000088 0.000807 -0.000910 0.000900 34O 2dxz 0.000563 0.003890 0.001021 -0.003184 0.003382 -0.003235 34O 2dyz 0.000427 -0.001902 -0.000184 0.002253 -0.003243 0.003187 34O 2dx2y2 0.004165 0.002826 -0.001028 0.002213 -0.003098 0.002702 34O 2dxy -0.002467 0.002237 0.001648 0.004735 -0.004949 0.004708 34O 1f0 0.000175 -0.000547 0.000010 -0.000128 0.000284 -0.000173 34O 1f+1 -0.000302 -0.000198 -0.000009 0.000167 0.000004 0.000090 34O 1f-1 -0.000205 0.000399 -0.000049 -0.000210 0.000209 -0.000293 34O 1f+2 -0.000381 0.000381 0.000109 -0.000570 0.000657 -0.000892 34O 1f-2 0.000515 -0.000144 -0.000107 -0.000267 0.000273 -0.000313 34O 1f+3 -0.000763 -0.000284 0.000243 0.000207 -0.000107 0.000038 34O 1f-3 -0.000298 -0.000611 0.000101 -0.000669 0.000488 -0.000835 35O 1s -0.000516 0.000104 -0.002728 -0.002868 -0.010886 0.007131 35O 2s -0.001233 0.000245 -0.006561 -0.006971 -0.026512 0.017331 35O 3s 0.001796 -0.000287 0.009947 0.011548 0.044278 -0.028912 35O 4s 0.003853 -0.001085 0.017569 0.016053 0.062005 -0.040274 35O 5s -0.003641 -0.002018 0.023222 0.031989 0.135962 -0.116863 35O 1pz 0.014047 0.052008 0.062327 -0.034333 -0.094869 0.090915 35O 1px -0.019657 0.029636 -0.061545 0.008615 0.012405 0.020482 35O 1py 0.014049 -0.080443 0.011534 -0.019439 -0.055503 0.062393 35O 2pz 0.012339 0.043532 0.054731 -0.029813 -0.081578 0.076732 35O 2px -0.015994 0.024583 -0.047576 0.008298 0.017295 0.012639 35O 2py 0.012044 -0.067635 0.013044 -0.016916 -0.045225 0.051302 35O 3pz 0.006251 0.035627 0.032105 -0.029218 -0.078840 0.086983 35O 3px -0.017513 0.017791 -0.038878 0.005814 0.031548 -0.006614 35O 3py 0.010423 -0.054268 0.000373 -0.014524 -0.038418 0.049146 35O 1dz2 0.000174 0.000516 0.001016 -0.000201 -0.000347 0.000079 35O 1dxz -0.000117 0.000903 -0.000135 -0.000582 -0.001718 0.001469 35O 1dyz 0.000070 -0.000037 0.000177 -0.000569 -0.001935 0.001481 35O 1dx2y2 -0.000433 0.001137 -0.001046 0.000270 0.000409 -0.000210 35O 1dxy -0.000037 -0.000804 -0.001081 -0.000360 -0.001432 0.001313 35O 2dz2 0.001066 0.002786 0.002505 -0.000712 -0.003258 0.002002 35O 2dxz -0.000932 0.002884 -0.001818 -0.001628 -0.005040 0.003720 35O 2dyz -0.000722 -0.000787 0.000056 -0.001196 -0.005967 0.004599 35O 2dx2y2 -0.001274 0.003728 -0.001936 0.001612 0.003572 -0.002113 35O 2dxy 0.000146 -0.002257 -0.003706 -0.000188 -0.002249 0.002293 35O 1f0 -0.000170 -0.000709 -0.000275 0.000191 0.000430 -0.000527 35O 1f+1 0.000236 -0.000065 0.000686 0.000045 -0.000034 0.000006 35O 1f-1 0.000020 0.000194 -0.000073 0.000212 0.000977 -0.000908 35O 1f+2 -0.000017 -0.000027 0.000057 -0.000290 -0.000735 0.000795 35O 1f-2 0.000086 -0.000016 0.000620 -0.000134 -0.000170 0.000271 35O 1f+3 0.000065 -0.000606 0.000382 -0.000118 -0.000180 0.000276 35O 1f-3 0.000031 0.000377 0.000216 0.000189 0.000260 -0.000327 120 121 122 123 124 125 -0.01678 -0.01649 -0.01123 -0.00424 0.00758 0.02008 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s -0.000019 0.000005 -0.000083 0.000143 0.002079 -0.002463 0Rh 2s 0.000050 -0.000020 0.000300 -0.000556 -0.008238 0.007452 0Rh 3s -0.000080 0.000017 -0.000297 0.000485 0.006959 -0.009685 0Rh 4s -0.000205 0.000084 -0.001295 0.002412 0.035882 -0.031369 0Rh 5s -0.000023 -0.000055 0.001055 -0.001981 -0.031322 0.009212 0Rh 6s 0.001037 -0.000236 0.002006 -0.003812 -0.048193 0.111097 0Rh 7s -0.002776 -0.004508 -0.004797 -0.024594 -0.555571 -0.076779 0Rh 8s -0.020106 0.040787 0.006469 0.074362 1.399014 -1.778049 0Rh 1pz 0.004523 0.000480 -0.000030 0.000078 0.000521 -0.001281 0Rh 1px 0.001357 0.001004 -0.000012 -0.000155 -0.001338 0.004097 0Rh 1py 0.000750 -0.004656 0.000011 -0.000087 -0.000308 0.000811 0Rh 2pz -0.015440 -0.001637 0.000097 -0.000264 -0.001641 0.004257 0Rh 2px -0.004627 -0.003432 0.000047 0.000512 0.004072 -0.013621 0Rh 2py -0.002558 0.015892 -0.000033 0.000289 0.000965 -0.002728 0Rh 3pz 0.013324 0.001373 0.000040 0.000186 -0.001125 -0.001469 0Rh 3px 0.003871 0.003002 -0.000181 -0.000135 0.005594 0.004815 0Rh 3py 0.002189 -0.013630 -0.000039 -0.000114 0.000773 0.001532 0Rh 4pz 0.018772 0.002180 -0.000563 0.000461 0.011123 -0.013536 0Rh 4px 0.006090 0.004090 0.000430 -0.001711 -0.037803 0.042905 0Rh 4py 0.003191 -0.019775 0.000313 -0.000835 -0.006961 0.006501 0Rh 5pz 0.007335 0.000466 0.000810 -0.000018 -0.014569 0.015726 0Rh 5px 0.001237 0.001619 -0.000673 0.001432 0.053315 -0.049066 0Rh 5py 0.000851 -0.006721 -0.000644 0.000742 0.009255 -0.005892 0Rh 6pz -0.165781 -0.018333 -0.003109 -0.002773 0.069231 -0.220080 0Rh 6px -0.036750 -0.036702 0.001926 0.000401 -0.143720 0.659683 0Rh 6py -0.024503 0.163416 0.009454 -0.000346 -0.009917 0.097404 0Rh 1dz2 0.001953 0.001048 -0.033478 0.000403 -0.008111 0.005412 0Rh 1dxz -0.001222 -0.000145 -0.015204 -0.000173 -0.008483 0.006428 0Rh 1dyz -0.000648 -0.000796 0.016534 -0.000163 -0.003183 0.002690 0Rh 1dx2y2 0.000242 -0.000387 -0.024001 0.000614 0.012680 -0.010271 0Rh 1dxy -0.000913 0.001726 -0.002833 0.000428 0.005761 -0.004622 0Rh 2dz2 -0.000112 -0.000072 0.001252 -0.000016 0.000353 -0.000423 0Rh 2dxz 0.000076 0.000016 0.000577 0.000006 0.000410 -0.000523 0Rh 2dyz 0.000021 0.000043 -0.000614 0.000009 0.000135 -0.000159 0Rh 2dx2y2 -0.000014 0.000029 0.000918 -0.000026 -0.000597 0.000815 0Rh 2dxy 0.000060 -0.000098 0.000101 -0.000025 -0.000278 0.000366 0Rh 3dz2 -0.002821 -0.001471 0.051289 -0.000614 0.012238 -0.007414 0Rh 3dxz 0.001736 0.000177 0.023302 0.000267 0.012671 -0.008744 0Rh 3dyz 0.001000 0.001164 -0.025371 0.000240 0.004778 -0.003871 0Rh 3dx2y2 -0.000356 0.000524 0.036719 -0.000928 -0.018955 0.014020 0Rh 3dxy 0.001291 -0.002488 0.004367 -0.000616 -0.008619 0.006337 0Rh 4dz2 -0.004344 -0.002452 0.066047 -0.000799 0.016337 -0.013491 0Rh 4dxz 0.002772 0.000425 0.029922 0.000324 0.017483 -0.016287 0Rh 4dyz 0.001251 0.001722 -0.032552 0.000368 0.006415 -0.006057 0Rh 4dx2y2 -0.000515 0.000973 0.047546 -0.001232 -0.026048 0.025816 0Rh 4dxy 0.002109 -0.003891 0.005531 -0.000953 -0.011881 0.011505 0Rh 5dz2 -0.000216 0.000419 0.037834 -0.000530 0.010336 0.006677 0Rh 5dxz -0.000087 -0.000428 0.017451 0.000444 0.010180 0.008245 0Rh 5dyz 0.000626 0.000641 -0.019038 -0.000171 0.003359 0.001013 0Rh 5dx2y2 -0.000290 -0.000609 0.026694 -0.000964 -0.016463 -0.011603 0Rh 5dxy -0.000427 0.000516 0.003235 -0.000164 -0.006662 -0.004853 0Rh 1f0 -0.002941 -0.004636 0.000622 -0.000162 -0.000223 0.000820 0Rh 1f+1 -0.002154 -0.001058 -0.000505 0.000024 0.000173 -0.000584 0Rh 1f-1 0.005587 -0.004095 -0.000327 -0.000075 0.000089 -0.000166 0Rh 1f+2 -0.003451 -0.003433 -0.000144 0.000030 0.000257 -0.000872 0Rh 1f-2 0.001185 -0.002990 0.000269 -0.000051 0.000007 -0.000198 0Rh 1f+3 0.001993 0.000622 0.000614 0.000093 0.000278 -0.000986 0Rh 1f-3 -0.001350 0.001937 0.000262 0.000129 -0.000016 -0.000396 1Rh 1s 0.000027 0.000007 -0.000083 0.000144 0.002067 0.002477 1Rh 2s -0.000076 -0.000026 0.000298 -0.000561 -0.008203 -0.007504 1Rh 3s 0.000107 0.000025 -0.000294 0.000489 0.006911 0.009730 1Rh 4s 0.000317 0.000112 -0.001288 0.002434 0.035738 0.031596 1Rh 5s -0.000054 -0.000093 0.001058 -0.002000 -0.031296 -0.009406 1Rh 6s -0.001274 -0.000120 0.001965 -0.003842 -0.047620 -0.111419 1Rh 7s 0.003632 0.004477 -0.004684 -0.024588 -0.556397 0.073377 1Rh 8s 0.018983 -0.038978 0.006466 0.074704 1.390660 1.786759 1Rh 1pz 0.004522 0.000479 0.000082 -0.000076 -0.000518 -0.001278 1Rh 1px 0.001359 0.001013 0.000037 0.000152 0.001315 0.004081 1Rh 1py 0.000754 -0.004655 -0.000054 0.000126 0.000310 0.000811 1Rh 2pz -0.015437 -0.001634 -0.000274 0.000256 0.001630 0.004247 1Rh 2px -0.004633 -0.003460 -0.000136 -0.000502 -0.003998 -0.013565 1Rh 2py -0.002572 0.015889 0.000182 -0.000424 -0.000973 -0.002725 1Rh 3pz 0.013321 0.001369 0.000116 -0.000179 0.001126 -0.001454 1Rh 3px 0.003878 0.003020 0.000258 0.000124 -0.005617 0.004719 1Rh 3py 0.002199 -0.013628 -0.000091 0.000229 -0.000757 0.001519 1Rh 4pz 0.018771 0.002184 0.000769 -0.000452 -0.011075 -0.013544 1Rh 4px 0.006091 0.004143 -0.000325 0.001705 0.037563 0.043007 1Rh 4py 0.003218 -0.019768 -0.000490 0.001010 0.006940 0.006535 1Rh 5pz 0.007327 0.000439 -0.000707 0.000007 0.014496 0.015743 1Rh 5px 0.001263 0.001613 0.000719 -0.001452 -0.053033 -0.049357 1Rh 5py 0.000831 -0.006728 0.000572 -0.000705 -0.009184 -0.005960 1Rh 6pz -0.165504 -0.018062 0.001023 0.002856 -0.068011 -0.219101 1Rh 6px -0.036851 -0.036927 -0.002857 -0.000168 0.140034 0.660995 1Rh 6py -0.024079 0.163531 -0.007733 -0.000970 0.008796 0.097693 1Rh 1dz2 -0.001483 -0.000668 -0.033532 0.000403 -0.008058 -0.005440 1Rh 1dxz 0.001413 0.000299 -0.015209 -0.000142 -0.008456 -0.006491 1Rh 1dyz 0.000518 0.000806 0.016523 -0.000169 -0.003151 -0.002689 1Rh 1dx2y2 0.000076 0.000652 -0.024008 0.000612 0.012603 0.010342 1Rh 1dxy 0.001004 -0.001624 -0.002872 0.000448 0.005735 0.004647 1Rh 2dz2 0.000095 0.000057 0.001253 -0.000016 0.000351 0.000425 1Rh 2dxz -0.000083 -0.000021 0.000580 0.000003 0.000408 0.000525 1Rh 2dyz -0.000016 -0.000044 -0.000614 0.000009 0.000134 0.000158 1Rh 2dx2y2 0.000002 -0.000039 0.000919 -0.000026 -0.000593 -0.000820 1Rh 2dxy -0.000063 0.000095 0.000103 -0.000027 -0.000277 -0.000367 1Rh 3dz2 0.002098 0.000892 0.051375 -0.000614 0.012158 0.007454 1Rh 3dxz -0.002027 -0.000416 0.023299 0.000225 0.012634 0.008843 1Rh 3dyz -0.000800 -0.001175 -0.025354 0.000250 0.004728 0.003873 1Rh 3dx2y2 -0.000126 -0.000928 0.036728 -0.000924 -0.018840 -0.014118 1Rh 3dxy -0.001430 0.002333 0.004422 -0.000644 -0.008579 -0.006376 1Rh 4dz2 0.003427 0.001698 0.066147 -0.000794 0.016227 0.013555 1Rh 4dxz -0.003150 -0.000715 0.029960 0.000248 0.017417 0.016406 1Rh 4dyz -0.000992 -0.001745 -0.032533 0.000381 0.006354 0.006042 1Rh 4dx2y2 -0.000123 -0.001504 0.047564 -0.001228 -0.025884 -0.025988 1Rh 4dxy -0.002286 0.003694 0.005622 -0.001006 -0.011832 -0.011556 1Rh 5dz2 -0.000354 -0.000842 0.037909 -0.000539 0.010286 -0.006663 1Rh 5dxz -0.000115 0.000218 0.017367 0.000468 0.010199 -0.008134 1Rh 5dyz -0.000496 -0.000647 -0.018996 -0.000159 0.003291 -0.000941 1Rh 5dx2y2 -0.000044 0.000320 0.026687 -0.000965 -0.016422 0.011619 1Rh 5dxy 0.000322 -0.000639 0.003223 -0.000130 -0.006625 0.004839 1Rh 1f0 -0.002934 -0.004625 -0.000702 0.000196 0.000227 0.000820 1Rh 1f+1 -0.002166 -0.001068 0.000474 -0.000018 -0.000169 -0.000590 1Rh 1f-1 0.005585 -0.004104 0.000366 0.000084 -0.000086 -0.000162 1Rh 1f+2 -0.003459 -0.003438 0.000060 0.000000 -0.000242 -0.000869 1Rh 1f-2 0.001185 -0.002994 -0.000282 0.000065 -0.000004 -0.000203 1Rh 1f+3 0.002000 0.000618 -0.000581 -0.000101 -0.000277 -0.000990 1Rh 1f-3 -0.001346 0.001940 -0.000259 -0.000142 0.000014 -0.000397 2C 1s 0.001622 -0.000475 -0.000029 0.001023 0.012130 -0.001070 2C 2s 0.003723 -0.001156 -0.000033 0.002273 0.027316 -0.002385 2C 3s -0.011051 0.005056 -0.000744 -0.005339 -0.076455 0.007294 2C 4s 0.021213 -0.017872 0.005316 0.000683 0.076921 -0.005701 2C 5s -0.295554 0.177544 -0.041275 -0.084748 -1.539884 0.140049 2C 1pz -0.005422 0.000596 0.001139 0.000724 -0.000246 -0.004264 2C 1px -0.002172 0.000802 0.000275 0.001701 0.002854 0.010647 2C 1py -0.002939 -0.000282 0.001690 -0.005256 -0.001154 0.000335 2C 2pz -0.006793 0.002403 0.000566 0.000113 -0.008841 0.007469 2C 2px -0.001367 -0.000346 0.000019 -0.000206 -0.000680 -0.001499 2C 2py -0.005092 -0.000788 0.001707 -0.005630 -0.006224 0.006456 2C 3pz -0.048609 0.057614 -0.029516 0.013745 -0.105191 0.017650 2C 3px -0.016375 0.034230 -0.016429 0.016796 0.010481 -0.049125 2C 3py -0.067737 -0.033559 0.055686 -0.049052 -0.085242 -0.017387 2C 1dz2 0.003757 0.007040 -0.005116 0.005868 -0.001182 -0.000064 2C 1dxz 0.003497 0.006854 -0.005109 0.005682 -0.000322 -0.000399 2C 1dyz -0.001797 -0.004266 0.002871 -0.003550 -0.000867 0.000822 2C 1dx2y2 0.003194 0.006100 -0.004467 0.005091 -0.000372 0.000636 2C 1dxy -0.002119 -0.004376 0.003393 -0.003446 -0.000016 0.000024 2C 2dz2 0.011649 0.024103 -0.018486 0.018410 -0.002983 0.006353 2C 2dxz 0.008681 0.020702 -0.014414 0.016368 -0.006380 -0.001335 2C 2dyz -0.008039 -0.014177 0.011090 -0.011293 -0.001753 0.000145 2C 2dx2y2 0.010479 0.018697 -0.014631 0.014964 0.000762 -0.006701 2C 2dxy -0.005617 -0.010425 0.006781 -0.010458 -0.001033 -0.004274 2C 1f0 0.002304 0.004076 -0.002975 0.003484 0.001022 -0.000432 2C 1f+1 0.000475 0.000513 -0.000426 0.000437 0.000161 -0.000368 2C 1f-1 0.000359 -0.000078 -0.000040 0.000159 0.001767 0.000249 2C 1f+2 0.000985 0.002830 -0.001909 0.001918 -0.003070 0.000721 2C 1f-2 0.000764 0.001007 -0.000745 0.001072 0.002505 -0.000507 2C 1f+3 0.000299 0.000999 -0.000719 0.000651 -0.002574 0.000485 2C 1f-3 -0.000912 -0.002011 0.001409 -0.001633 -0.000154 -0.000398 3C 1s 0.000267 0.001752 0.000086 0.001206 0.011975 0.001236 3C 2s 0.000741 0.003980 0.000086 0.002653 0.026950 0.002818 3C 3s -0.004842 -0.011145 0.002067 -0.006330 -0.076370 -0.008343 3C 4s 0.021221 0.018930 -0.012799 0.001756 0.080539 0.011294 3C 5s -0.198910 -0.278664 0.084076 -0.065723 -1.521782 -0.165836 3C 1pz 0.001303 -0.002296 -0.002007 -0.005962 -0.002931 -0.002396 3C 1px 0.000382 -0.002620 -0.001445 -0.001428 0.003067 0.011113 3C 1py -0.000475 0.006585 0.001966 -0.000042 -0.001309 -0.000382 3C 2pz -0.000324 -0.005102 -0.001386 -0.004238 -0.007528 -0.001480 3C 2px 0.000351 -0.003679 -0.000670 -0.002353 -0.003552 -0.001633 3C 2py 0.001817 0.006532 0.000699 -0.000834 0.006630 0.000010 3C 3pz 0.042087 -0.053300 -0.054913 -0.048777 -0.095518 0.033514 3C 3px -0.002547 -0.028729 -0.015748 -0.003558 -0.013882 -0.063724 3C 3py 0.067102 0.053804 -0.036263 -0.018979 0.090614 -0.019651 3C 1dz2 0.004143 -0.002263 -0.002977 -0.003557 0.000542 0.000020 3C 1dxz 0.005018 -0.002499 -0.003827 -0.004047 0.000046 -0.000996 3C 1dyz -0.007221 0.003245 0.005381 0.005773 0.000885 -0.000287 3C 1dx2y2 0.008301 -0.004288 -0.006416 -0.006714 0.000799 0.000568 3C 1dxy 0.002690 -0.001429 -0.002234 -0.002101 0.000528 -0.000053 3C 2dz2 0.016851 -0.008561 -0.014260 -0.011388 0.001244 0.002929 3C 2dxz 0.014652 -0.007886 -0.011881 -0.011396 0.000797 0.002956 3C 2dyz -0.021374 0.011733 0.016377 0.017828 0.001359 0.000635 3C 2dx2y2 0.025775 -0.011394 -0.019371 -0.020293 0.004366 -0.005169 3C 2dxy 0.007301 -0.002673 -0.004799 -0.006352 0.004316 0.007772 3C 1f0 0.001776 -0.000872 -0.001371 -0.001436 0.000845 0.000204 3C 1f+1 0.001991 -0.000906 -0.001475 -0.001545 0.000601 -0.000413 3C 1f-1 -0.004345 0.002280 0.003206 0.003601 0.001103 -0.000084 3C 1f+2 -0.000305 -0.000342 0.000254 -0.000254 -0.004228 -0.000778 3C 1f-2 -0.001586 0.000390 0.001132 0.000871 -0.002847 -0.000021 3C 1f+3 0.000441 0.000100 -0.000266 -0.000228 0.000762 0.000113 3C 1f-3 0.001467 -0.000883 -0.001163 -0.001147 0.000249 0.000360 4C 1s -0.001369 0.000428 0.000217 -0.000417 -0.004524 0.000608 4C 2s -0.003304 0.001067 0.000467 -0.000976 -0.010284 0.001466 4C 3s 0.011998 -0.004481 -0.000816 0.002597 0.035580 -0.007508 4C 4s -0.024442 0.009306 -0.001477 -0.004979 -0.078126 0.018474 4C 5s 0.215181 -0.123206 0.017539 0.028440 0.215119 -0.076862 4C 1pz 0.066544 0.125626 -0.092390 0.100899 0.006414 0.003622 4C 1px 0.040729 0.078899 -0.057863 0.062706 -0.000820 -0.027645 4C 1py -0.106645 -0.211950 0.154258 -0.166485 0.024360 -0.003340 4C 2pz 0.073070 0.129989 -0.101226 0.103711 0.009525 0.021239 4C 2px 0.041914 0.081351 -0.062535 0.067686 0.009970 -0.053277 4C 2py -0.109119 -0.226653 0.170491 -0.170857 0.030610 -0.004894 4C 3pz -0.014298 0.169269 -0.094033 0.082957 -0.530822 -0.044542 4C 3px 0.035329 0.067138 -0.048198 0.069553 -0.063139 0.158952 4C 3py -0.162507 -0.182366 0.143718 -0.201305 -0.317415 0.048200 4C 1dz2 -0.003314 -0.004770 0.003760 -0.004508 -0.000447 0.000397 4C 1dxz -0.001308 -0.001966 0.001584 -0.001640 0.001756 -0.000739 4C 1dyz 0.000279 0.003227 -0.002048 0.002022 -0.003338 0.000372 4C 1dx2y2 -0.001580 -0.003750 0.002638 -0.003306 -0.002721 0.000617 4C 1dxy -0.000553 -0.000539 0.000379 -0.000740 -0.002075 0.000122 4C 2dz2 -0.001790 -0.005515 0.003625 -0.006542 -0.000950 0.001261 4C 2dxz -0.001638 -0.003198 0.001798 -0.002824 0.011417 -0.011701 4C 2dyz 0.001448 0.002185 -0.001743 0.001749 -0.021863 -0.001586 4C 2dx2y2 -0.003480 -0.004984 0.003855 -0.005167 -0.018374 0.005485 4C 2dxy -0.000813 -0.000625 0.001387 -0.000112 -0.013913 -0.003980 4C 1f0 0.000556 0.000161 -0.000199 0.000547 0.001361 -0.000042 4C 1f+1 0.001127 0.000174 -0.000503 0.000890 0.003169 -0.000827 4C 1f-1 0.000035 -0.000415 0.000243 -0.000270 0.001081 -0.000009 4C 1f+2 -0.001094 -0.000392 0.000718 -0.000633 -0.002718 0.000520 4C 1f-2 -0.000602 -0.001192 0.001086 -0.001075 0.000870 -0.000236 4C 1f+3 0.000821 0.001608 -0.001381 0.001531 -0.000226 -0.000067 4C 1f-3 0.000083 -0.001669 0.001110 -0.001459 0.002573 -0.000239 5C 1s -0.000297 -0.001464 -0.000191 -0.000570 -0.004372 -0.000617 5C 2s -0.000751 -0.003525 -0.000426 -0.001331 -0.009947 -0.001453 5C 3s 0.004499 0.011358 0.000298 0.003014 0.034983 0.004688 5C 4s -0.013951 -0.017173 0.002909 -0.002274 -0.078622 -0.009873 5C 5s 0.122976 0.216117 -0.034361 0.016475 0.198722 0.057910 5C 1pz 0.211891 -0.106172 -0.160366 -0.163347 0.017868 0.009804 5C 1px 0.042097 -0.020693 -0.032015 -0.032180 0.006249 -0.023957 5C 1py 0.141113 -0.074143 -0.107603 -0.110991 -0.009112 -0.006612 5C 2pz 0.224527 -0.107632 -0.176760 -0.166504 0.020094 0.016525 5C 2px 0.047128 -0.022301 -0.034790 -0.034001 0.012437 -0.053098 5C 2py 0.148453 -0.082702 -0.118013 -0.117064 -0.015004 -0.011879 5C 3pz 0.172714 -0.149934 -0.143865 -0.187375 -0.285279 -0.058305 5C 3px 0.026842 -0.054478 -0.021259 -0.050462 -0.184690 0.177383 5C 3py 0.187475 -0.007240 -0.113525 -0.108589 0.505598 0.040880 5C 1dz2 -0.005225 0.002934 0.004033 0.004734 0.002746 0.000467 5C 1dxz -0.002454 0.000849 0.001766 0.002032 0.001501 0.000112 5C 1dyz 0.002768 -0.000158 -0.001896 -0.001645 0.003606 0.000366 5C 1dx2y2 -0.003055 0.002360 0.002601 0.002769 -0.001688 -0.000769 5C 1dxy 0.000020 0.000713 0.000146 0.000285 0.000629 0.000445 5C 2dz2 -0.005451 0.002826 0.004149 0.006243 0.016674 0.004214 5C 2dxz -0.002451 0.000919 0.002788 0.002174 0.008222 -0.004829 5C 2dyz 0.002166 -0.001731 -0.000799 -0.001400 0.024847 -0.005082 5C 2dx2y2 -0.005419 0.001953 0.003712 0.005611 -0.012747 -0.006293 5C 2dxy -0.002691 0.001068 0.000339 0.002783 0.003642 0.006583 5C 1f0 0.001123 -0.000226 -0.000767 -0.000926 0.000746 0.000021 5C 1f+1 0.001559 -0.000148 -0.001198 -0.001410 0.001975 0.000340 5C 1f-1 0.000714 -0.000517 -0.000773 -0.000530 -0.000073 -0.000118 5C 1f+2 -0.001593 0.000623 0.001357 0.001371 -0.000985 -0.000165 5C 1f-2 -0.000009 -0.000675 -0.000398 -0.000266 -0.002563 0.000155 5C 1f+3 0.000531 0.000527 -0.000221 0.000010 0.002761 0.000030 5C 1f-3 0.000561 -0.001245 -0.000854 -0.001242 -0.002902 -0.000456 6C 1s 0.000295 0.001444 -0.000169 -0.000575 -0.004379 0.000614 6C 2s 0.000748 0.003478 -0.000373 -0.001342 -0.009961 0.001444 6C 3s -0.004517 -0.011256 0.000094 0.003064 0.034943 -0.004522 6C 4s 0.014124 0.017212 0.003307 -0.002364 -0.078132 0.008799 6C 5s -0.121661 -0.213532 -0.038358 0.016857 0.197281 -0.055537 6C 1pz 0.210098 -0.106772 0.162049 0.163678 -0.017816 0.009704 6C 1px 0.041823 -0.020872 0.032428 0.032303 -0.006084 -0.023983 6C 1py 0.139921 -0.074481 0.108697 0.111217 0.009215 -0.006647 6C 2pz 0.222512 -0.108356 0.178550 0.166845 -0.020262 0.016543 6C 2px 0.046776 -0.022458 0.035086 0.034138 -0.011968 -0.053132 6C 2py 0.147174 -0.083135 0.119106 0.117410 0.015260 -0.012021 6C 3pz 0.171161 -0.150018 0.144789 0.187595 0.285125 -0.056351 6C 3px 0.026553 -0.054324 0.020901 0.050700 0.183857 0.179945 6C 3py 0.186196 -0.007703 0.116224 0.108302 -0.505093 0.036920 6C 1dz2 0.005174 -0.002936 0.004068 0.004736 0.002737 -0.000447 6C 1dxz 0.002425 -0.000853 0.001787 0.002028 0.001496 -0.000104 6C 1dyz -0.002751 0.000188 -0.001939 -0.001653 0.003598 -0.000337 6C 1dx2y2 0.003039 -0.002362 0.002623 0.002781 -0.001693 0.000762 6C 1dxy -0.000021 -0.000697 0.000131 0.000283 0.000635 -0.000437 6C 2dz2 0.005353 -0.002856 0.004141 0.006231 0.016700 -0.004088 6C 2dxz 0.002409 -0.000980 0.002811 0.002177 0.008101 0.004892 6C 2dyz -0.002217 0.001705 -0.000809 -0.001406 0.024741 0.005271 6C 2dx2y2 0.005387 -0.001926 0.003819 0.005615 -0.012700 0.006145 6C 2dxy 0.002680 -0.001063 0.000352 0.002817 0.003819 -0.006651 6C 1f0 0.001117 -0.000229 0.000781 0.000928 -0.000736 0.000011 6C 1f+1 0.001544 -0.000148 0.001219 0.001403 -0.001973 0.000323 6C 1f-1 0.000702 -0.000521 0.000773 0.000531 0.000078 -0.000121 6C 1f+2 -0.001580 0.000627 -0.001372 -0.001370 0.000980 -0.000159 6C 1f-2 -0.000011 -0.000682 0.000397 0.000275 0.002552 0.000176 6C 1f+3 0.000535 0.000522 0.000243 -0.000011 -0.002755 0.000010 6C 1f-3 0.000551 -0.001252 0.000850 0.001249 0.002896 -0.000436 7C 1s 0.001352 -0.000456 0.000212 -0.000397 -0.004517 -0.000639 7C 2s 0.003267 -0.001130 0.000457 -0.000931 -0.010265 -0.001537 7C 3s -0.011944 0.004634 -0.000764 0.002532 0.035372 0.007699 7C 4s 0.024616 -0.009603 -0.001767 -0.005104 -0.077305 -0.018639 7C 5s -0.216325 0.122266 0.015163 0.029339 0.213966 0.080181 7C 1pz 0.065465 0.124707 0.094843 -0.102215 -0.006633 0.003511 7C 1px 0.039890 0.077993 0.059119 -0.063272 0.000771 -0.027610 7C 1py -0.104199 -0.209165 -0.157351 0.167618 -0.023856 -0.003471 7C 2pz 0.071932 0.129087 0.104047 -0.105030 -0.009893 0.021167 7C 2px 0.041041 0.080376 0.064040 -0.068233 -0.010121 -0.053645 7C 2py -0.106363 -0.223498 -0.173475 0.171986 -0.030217 -0.005110 7C 3pz -0.016162 0.168864 0.095901 -0.084199 0.530086 -0.041826 7C 3px 0.034651 0.066235 0.049365 -0.069726 0.061283 0.160398 7C 3py -0.160878 -0.178979 -0.146906 0.202837 0.318931 0.050113 7C 1dz2 0.003265 0.004726 0.003861 -0.004550 -0.000435 -0.000402 7C 1dxz 0.001284 0.001952 0.001620 -0.001655 0.001758 0.000753 7C 1dyz -0.000242 -0.003195 -0.002082 0.002038 -0.003343 -0.000406 7C 1dx2y2 0.001530 0.003683 0.002683 -0.003319 -0.002700 -0.000649 7C 1dxy 0.000548 0.000530 0.000392 -0.000746 -0.002060 -0.000132 7C 2dz2 0.001739 0.005447 0.003761 -0.006513 -0.000927 -0.001297 7C 2dxz 0.001654 0.003231 0.001905 -0.002821 0.011336 0.011874 7C 2dyz -0.001424 -0.002183 -0.001770 0.001813 -0.021886 0.001486 7C 2dx2y2 0.003410 0.004793 0.003800 -0.005219 -0.018228 -0.005584 7C 2dxy 0.000796 0.000526 0.001305 -0.000089 -0.013861 0.003979 7C 1f0 0.000561 0.000158 0.000211 -0.000556 -0.001345 -0.000060 7C 1f+1 0.001121 0.000158 0.000510 -0.000897 -0.003139 -0.000835 7C 1f-1 0.000037 -0.000417 -0.000249 0.000278 -0.001069 -0.000009 7C 1f+2 -0.001086 -0.000383 -0.000737 0.000648 0.002715 0.000546 7C 1f-2 -0.000587 -0.001176 -0.001099 0.001084 -0.000872 -0.000249 7C 1f+3 0.000802 0.001589 0.001408 -0.001543 0.000222 -0.000061 7C 1f-3 0.000103 -0.001648 -0.001130 0.001460 -0.002559 -0.000245 8C 1s -0.000263 -0.001710 0.000060 0.001207 0.011956 -0.001151 8C 2s -0.000730 -0.003886 0.000026 0.002657 0.026906 -0.002628 8C 3s 0.004769 0.010918 0.002256 -0.006394 -0.076245 0.007831 8C 4s -0.020961 -0.018819 -0.013203 0.002090 0.080454 -0.010930 8C 5s 0.196431 0.274873 0.089479 -0.067350 -1.518712 0.154308 8C 1pz 0.001267 -0.002233 0.001967 0.005952 0.002919 -0.002362 8C 1px 0.000351 -0.002623 0.001411 0.001424 -0.003159 0.011050 8C 1py -0.000439 0.006516 -0.001869 0.000046 0.001221 -0.000361 8C 2pz -0.000296 -0.005028 0.001338 0.004222 0.007413 -0.001401 8C 2px 0.000403 -0.003581 0.000625 0.002376 0.003484 -0.001489 8C 2py 0.001820 0.006331 -0.000505 0.000921 -0.006559 -0.000123 8C 3pz 0.041380 -0.053229 0.054582 0.048862 0.094818 0.034837 8C 3px -0.002870 -0.029065 0.015420 0.003509 0.013929 -0.064625 8C 3py 0.066783 0.053199 0.037939 0.018843 -0.091015 -0.020765 8C 1dz2 -0.004110 0.002271 -0.003010 -0.003563 0.000539 0.000002 8C 1dxz -0.005079 0.002565 -0.003955 -0.004135 0.000044 0.000999 8C 1dyz 0.007122 -0.003237 0.005410 0.005747 0.000879 0.000305 8C 1dx2y2 -0.008184 0.004289 -0.006444 -0.006691 0.000797 -0.000576 8C 1dxy -0.002706 0.001459 -0.002288 -0.002137 0.000525 0.000050 8C 2dz2 -0.016707 0.008645 -0.014410 -0.011435 0.001271 -0.003028 8C 2dxz -0.014756 0.008043 -0.012135 -0.011648 0.000828 -0.002916 8C 2dyz 0.021077 -0.011685 0.016410 0.017764 0.001381 -0.000618 8C 2dx2y2 -0.025457 0.011443 -0.019517 -0.020278 0.004219 0.005321 8C 2dxy -0.007338 0.002754 -0.004934 -0.006477 0.004343 -0.007695 8C 1f0 0.001758 -0.000879 0.001381 0.001439 -0.000852 0.000187 8C 1f+1 0.001947 -0.000903 0.001469 0.001533 -0.000529 -0.000420 8C 1f-1 -0.004320 0.002288 -0.003244 -0.003616 -0.001086 -0.000092 8C 1f+2 -0.000315 -0.000323 -0.000273 0.000243 0.004205 -0.000747 8C 1f-2 -0.001557 0.000388 -0.001138 -0.000852 0.002880 -0.000011 8C 1f+3 0.000444 0.000095 0.000273 0.000236 -0.000733 0.000095 8C 1f-3 0.001475 -0.000902 0.001191 0.001171 -0.000222 0.000354 9C 1s -0.001618 0.000516 -0.000026 0.000991 0.012117 0.001177 9C 2s -0.003717 0.001243 -0.000031 0.002203 0.027285 0.002625 9C 3s 0.011125 -0.005178 -0.000620 -0.005214 -0.076301 -0.007968 9C 4s -0.021733 0.017445 0.004563 0.000865 0.076513 0.006327 9C 5s 0.299105 -0.177930 -0.037882 -0.085474 -1.537441 -0.152616 9C 1pz -0.005278 0.000747 -0.001034 -0.000878 0.000411 -0.004314 9C 1px -0.002117 0.000822 -0.000233 -0.001746 -0.002918 0.010599 9C 1py -0.002942 -0.000141 -0.001699 0.005139 0.000993 0.000339 9C 2pz -0.006669 0.002624 -0.000353 -0.000246 0.008899 0.007684 9C 2px -0.001371 -0.000267 0.000032 0.000160 0.000656 -0.001524 9C 2py -0.005042 -0.000645 -0.001622 0.005636 0.006097 0.006496 9C 3pz -0.048691 0.057531 0.030036 -0.013956 0.105567 0.017906 9C 3px -0.016116 0.033977 0.016906 -0.017260 -0.010728 -0.049766 9C 3py -0.067749 -0.032429 -0.057075 0.049200 0.084535 -0.016409 9C 1dz2 -0.003674 -0.006940 -0.005215 0.005903 -0.001164 0.000056 9C 1dxz -0.003406 -0.006733 -0.005189 0.005698 -0.000299 0.000417 9C 1dyz 0.001673 0.004046 0.002801 -0.003441 -0.000883 -0.000829 9C 1dx2y2 -0.003231 -0.006231 -0.004727 0.005297 -0.000363 -0.000629 9C 1dxy 0.002051 0.004282 0.003430 -0.003442 -0.000032 -0.000067 9C 2dz2 -0.011377 -0.023825 -0.018902 0.018534 -0.002796 -0.006359 9C 2dxz -0.008410 -0.020410 -0.014697 0.016416 -0.006352 0.001212 9C 2dyz 0.007631 0.013510 0.010947 -0.010972 -0.001853 -0.000308 9C 2dx2y2 -0.010502 -0.018996 -0.015284 0.015586 0.000759 0.006697 9C 2dxy 0.005429 0.010175 0.006865 -0.010394 -0.001056 0.004477 9C 1f0 0.002274 0.004066 0.003074 -0.003541 -0.001017 -0.000437 9C 1f+1 0.000479 0.000525 0.000452 -0.000461 -0.000180 -0.000392 9C 1f-1 0.000368 -0.000069 0.000056 -0.000164 -0.001737 0.000237 9C 1f+2 0.000925 0.002763 0.001915 -0.001897 0.003138 0.000759 9C 1f-2 0.000751 0.000996 0.000769 -0.001074 -0.002441 -0.000515 9C 1f+3 0.000303 0.001022 0.000756 -0.000687 0.002526 0.000523 9C 1f-3 -0.000878 -0.001945 -0.001408 0.001616 0.000264 -0.000368 10H 1s -0.003113 -0.006445 0.004743 -0.005047 0.002422 0.004910 10H 2s -0.004014 -0.009269 0.007338 -0.008183 -0.027657 0.042199 10H 3s 0.030607 -0.074014 0.038031 -0.020742 0.340560 -0.054802 10H 1pz -0.000371 0.001265 -0.000679 0.000541 -0.005117 0.002269 10H 1px 0.000782 -0.001224 0.000539 -0.000071 0.008868 -0.004017 10H 1py -0.000153 0.000383 -0.000056 0.000032 -0.001877 0.000658 11H 1s 0.018966 0.037410 -0.027652 0.029961 0.000496 -0.003015 11H 2s 0.030822 0.051508 -0.042730 0.038366 -0.016019 -0.011151 11H 3s 0.146920 0.214319 -0.170470 0.228922 0.383087 -0.033693 11H 1pz -0.002840 -0.004280 0.003137 -0.004565 -0.004604 0.000413 11H 1px -0.002104 -0.002939 0.002333 -0.003392 -0.005672 -0.000446 11H 1py -0.000207 -0.000516 0.000496 0.000051 0.005645 -0.000192 12H 1s -0.015921 -0.030705 0.022957 -0.024353 0.004740 -0.003326 12H 2s -0.022387 -0.047345 0.036730 -0.035715 -0.012230 -0.010743 12H 3s -0.061909 -0.215410 0.163200 -0.145259 0.380570 -0.048337 12H 1pz 0.000616 0.001157 -0.000659 0.001266 0.002999 -0.000017 12H 1px 0.000533 0.002279 -0.001705 0.001712 -0.003551 -0.000452 12H 1py 0.000928 0.003936 -0.002646 0.002745 -0.008605 0.000540 13H 1s 0.010660 -0.005256 -0.008204 -0.008125 0.002627 0.005448 13H 2s 0.017251 -0.006649 -0.013896 -0.012811 -0.020943 0.029822 13H 3s 0.100237 0.008826 -0.069678 -0.045270 0.327830 0.069493 13H 1pz -0.001341 -0.000288 0.000707 0.000445 -0.006540 0.000916 13H 1px 0.001214 0.000344 -0.000865 -0.000392 0.006664 -0.000884 13H 1py 0.001248 0.000048 -0.000787 -0.000768 0.002780 -0.000728 14H 1s 0.027545 -0.014033 -0.021381 -0.021393 0.003725 -0.003173 14H 2s 0.042548 -0.021385 -0.033764 -0.033338 -0.023944 -0.026585 14H 3s 0.203794 -0.042569 -0.162427 -0.123682 0.381173 0.057189 14H 1pz -0.002053 0.000316 0.001401 0.001181 -0.005477 -0.000864 14H 1px -0.003724 0.000448 0.002886 0.002193 -0.009080 -0.002940 14H 1py 0.001102 -0.000598 -0.000675 -0.001242 -0.002556 -0.000850 15H 1s -0.038791 0.019442 0.029728 0.030388 0.001426 -0.001230 15H 2s -0.052754 0.030499 0.045289 0.037053 -0.016857 -0.011534 15H 3s -0.223190 0.144608 0.177235 0.233029 0.393758 0.048262 15H 1pz -0.000458 0.000465 0.000216 0.001255 0.007416 0.001528 15H 1px 0.002031 -0.001356 -0.001679 -0.002054 -0.001120 -0.000794 15H 1py -0.004992 0.003344 0.003757 0.005422 0.006017 0.000828 16H 1s -0.001778 0.000536 -0.000492 0.000784 0.020580 -0.029397 16H 2s -0.004343 0.001425 -0.007164 0.002907 0.049314 -0.065974 16H 3s 0.027639 -0.011707 -0.006432 0.003246 0.184225 -0.345933 16H 1pz -0.001228 0.000321 -0.000317 -0.000568 -0.013475 0.019683 16H 1px -0.000630 -0.000289 0.000148 -0.000149 -0.000807 0.000575 16H 1py -0.000341 0.000620 -0.000337 -0.000032 -0.004767 0.007147 17H 1s 0.001039 0.001453 -0.000965 0.000721 0.020349 -0.029333 17H 2s 0.001687 0.001746 -0.009856 0.002486 0.048802 -0.061995 17H 3s -0.026025 -0.017777 -0.026235 0.000736 0.183136 -0.356785 17H 1pz -0.001206 -0.000490 -0.000136 0.000216 0.010022 -0.014415 17H 1px -0.000051 -0.000258 0.000344 0.000199 0.007823 -0.012283 17H 1py 0.000355 0.000435 -0.000156 -0.000205 -0.006977 0.010813 18H 1s -0.001017 -0.001388 -0.001029 0.000726 0.020176 0.029329 18H 2s -0.001111 -0.001371 -0.010138 0.002455 0.048757 0.062619 18H 3s 0.027481 0.017545 -0.027612 0.000407 0.180299 0.355041 18H 1pz -0.001219 -0.000493 0.000125 -0.000221 -0.010098 -0.014652 18H 1px -0.000014 -0.000254 -0.000371 -0.000200 -0.007745 -0.012245 18H 1py 0.000346 0.000393 0.000151 0.000180 0.006603 0.010334 19H 1s 0.001797 -0.000529 -0.000425 0.000785 0.020437 0.029457 19H 2s 0.004817 -0.000971 -0.006635 0.002769 0.049191 0.066415 19H 3s -0.027039 0.012736 -0.004585 0.003330 0.182742 0.346662 19H 1pz -0.001234 0.000309 0.000282 0.000579 0.013259 0.019551 19H 1px -0.000603 -0.000257 -0.000127 0.000139 0.000708 0.000432 19H 1py -0.000387 0.000649 0.000350 0.000039 0.005037 0.007609 20H 1s 0.038386 -0.019500 0.029980 0.030381 0.001422 0.001279 20H 2s 0.052150 -0.030741 0.045707 0.037002 -0.016925 0.011600 20H 3s 0.221188 -0.143877 0.178186 0.233265 0.392495 -0.045034 20H 1pz -0.000461 0.000447 -0.000210 -0.001266 -0.007407 0.001478 20H 1px 0.002039 -0.001375 0.001712 0.002092 0.001186 -0.000804 20H 1py -0.004927 0.003312 -0.003753 -0.005412 -0.005999 0.000783 21H 1s -0.027513 0.014230 -0.021764 -0.021598 0.003700 0.003182 21H 2s -0.042553 0.021640 -0.034460 -0.033599 -0.023882 0.026179 21H 3s -0.202700 0.044865 -0.165496 -0.124647 0.380527 -0.053839 21H 1pz -0.002064 0.000344 -0.001447 -0.001208 0.005518 -0.000823 21H 1px -0.003693 0.000494 -0.002933 -0.002209 0.009021 -0.002846 21H 1py 0.001107 -0.000601 0.000694 0.001254 0.002578 -0.000834 22H 1s -0.010276 0.005140 -0.008059 -0.007910 0.002635 -0.005446 22H 2s -0.016665 0.006444 -0.013696 -0.012449 -0.020624 -0.029955 22H 3s -0.097262 -0.008959 -0.069306 -0.043584 0.327049 -0.068273 22H 1pz -0.001294 -0.000285 -0.000699 -0.000420 0.006454 0.000951 22H 1px 0.001187 0.000338 0.000869 0.000378 -0.006663 -0.000920 22H 1py 0.001221 0.000053 0.000791 0.000748 -0.002808 -0.000753 23H 1s 0.015767 0.030696 0.023720 -0.024848 0.004668 0.003292 23H 2s 0.022139 0.047188 0.037758 -0.036421 -0.012339 0.010156 23H 3s 0.060352 0.215521 0.167871 -0.148339 0.380602 0.051377 23H 1pz 0.000623 0.001157 0.000693 -0.001296 -0.003046 -0.000055 23H 1px 0.000513 0.002242 0.001728 -0.001726 0.003418 -0.000421 23H 1py 0.000909 0.003977 0.002757 -0.002831 0.008620 0.000641 24H 1s -0.018462 -0.036761 -0.028087 0.030050 0.000590 0.003108 24H 2s -0.030128 -0.050682 -0.043408 0.038690 -0.015780 0.011261 24H 3s -0.144996 -0.209816 -0.174170 0.229187 0.382304 0.038030 24H 1pz -0.002763 -0.004159 -0.003168 0.004524 0.004578 0.000460 24H 1px -0.002096 -0.002909 -0.002413 0.003428 0.005752 -0.000386 24H 1py -0.000213 -0.000549 -0.000519 0.000000 -0.005544 -0.000247 25H 1s 0.002781 0.005849 0.004442 -0.004671 0.002378 -0.004885 25H 2s 0.003461 0.008298 0.006748 -0.007599 -0.027524 -0.042468 25H 3s -0.032960 0.070402 0.035667 -0.018435 0.339170 0.057708 25H 1pz -0.000410 0.001215 0.000656 -0.000503 0.005157 0.002342 25H 1px 0.000814 -0.001177 -0.000502 0.000037 -0.008814 -0.004096 25H 1py -0.000160 0.000351 0.000038 -0.000015 0.001767 0.000640 26O 1s 0.002645 -0.001378 0.000022 0.000594 0.010663 -0.007774 26O 2s 0.006564 -0.003433 0.000088 0.001475 0.026319 -0.019248 26O 3s -0.013369 0.007154 -0.000593 -0.002805 -0.049065 0.036429 26O 4s -0.001313 -0.000514 0.002093 -0.002226 -0.050425 0.029174 26O 5s -0.080502 0.055086 -0.012268 -0.012766 -0.059947 0.126561 26O 1pz -0.048908 -0.065943 0.058510 -0.063500 -0.004463 -0.003746 26O 1px -0.025858 -0.041053 0.035009 -0.038027 -0.003033 0.028759 26O 1py 0.052166 0.121728 -0.095118 0.102834 -0.015144 0.004861 26O 2pz -0.041594 -0.054603 0.047552 -0.054025 -0.012218 -0.005171 26O 2px -0.022718 -0.034715 0.029610 -0.031348 -0.000085 0.016592 26O 2py 0.043624 0.103836 -0.078555 0.088328 -0.017416 0.000164 26O 3pz -0.068960 -0.076198 0.078269 -0.070714 0.038626 0.037723 26O 3px -0.034445 -0.055510 0.047822 -0.047209 -0.067386 0.007755 26O 3py 0.052848 0.140383 -0.119288 0.116575 -0.015017 0.022409 26O 1dz2 -0.000337 -0.000783 0.000392 -0.000540 -0.000124 0.000243 26O 1dxz -0.000586 -0.001582 0.001030 -0.001004 0.000148 0.000267 26O 1dyz 0.000287 -0.000265 0.000164 -0.000099 -0.000146 -0.000249 26O 1dx2y2 -0.001002 -0.002038 0.001339 -0.001374 0.000083 -0.000570 26O 1dxy 0.001050 0.001502 -0.001213 0.001159 -0.000134 -0.000398 26O 2dz2 -0.003960 -0.004682 0.002838 -0.003280 -0.002789 0.002037 26O 2dxz -0.002798 -0.006414 0.003888 -0.004605 -0.000329 -0.002572 26O 2dyz -0.001727 0.002136 -0.000182 0.000151 -0.001764 0.000612 26O 2dx2y2 -0.004381 -0.008260 0.005265 -0.006136 0.003885 -0.000403 26O 2dxy 0.002409 0.005740 -0.004088 0.004046 0.001497 -0.002556 26O 1f0 -0.000274 -0.000750 0.000215 -0.000523 -0.000008 -0.000003 26O 1f+1 0.000023 0.000025 -0.000068 0.000043 0.000191 -0.000118 26O 1f-1 -0.000101 0.000366 -0.000152 0.000186 -0.000032 -0.000023 26O 1f+2 0.000168 0.000256 -0.000329 0.000234 -0.000066 0.000035 26O 1f-2 -0.000158 0.000225 -0.000157 0.000107 0.000081 0.000003 26O 1f+3 -0.000646 -0.000988 0.000660 -0.000817 0.000138 0.000018 26O 1f-3 0.000348 0.000333 -0.000205 0.000255 0.000083 -0.000119 27O 1s 0.001287 0.002671 -0.000173 0.000590 0.009877 -0.005678 27O 2s 0.003217 0.006617 -0.000415 0.001426 0.024372 -0.014075 27O 3s -0.006894 -0.013204 0.000686 -0.002148 -0.045350 0.026470 27O 4s 0.001247 -0.002990 0.001183 -0.005545 -0.048735 0.021629 27O 5s -0.044792 -0.080571 -0.001924 0.000245 -0.029767 0.107228 27O 1pz -0.119570 0.051452 0.098207 0.098889 -0.011161 -0.006263 27O 1px -0.027497 0.006702 0.020732 0.020972 -0.004103 0.027091 27O 1py -0.075201 0.053205 0.067399 0.070497 0.007835 -0.002817 27O 2pz -0.101863 0.043222 0.081487 0.084529 -0.015176 -0.006271 27O 2px -0.024099 0.005736 0.018308 0.019025 -0.003020 0.010614 27O 2py -0.062976 0.044673 0.055098 0.059775 0.012971 0.001841 27O 3pz -0.141795 0.054520 0.122438 0.113651 0.018960 0.029358 27O 3px -0.029648 0.002002 0.021183 0.016722 -0.077880 0.014263 27O 3py -0.084425 0.077418 0.089152 0.081851 -0.012390 -0.041679 27O 1dz2 -0.000387 -0.000050 0.000061 0.000165 0.000166 0.000365 27O 1dxz -0.002382 0.001372 0.001774 0.001699 0.000027 0.000167 27O 1dyz 0.000727 -0.000670 -0.000545 -0.000562 0.000234 0.000335 27O 1dx2y2 -0.000978 0.000508 0.000643 0.000644 -0.000098 -0.000386 27O 1dxy -0.001631 0.000469 0.001129 0.001005 0.000047 0.000242 27O 2dz2 -0.003118 0.002505 0.001605 0.001904 -0.001976 0.000406 27O 2dxz -0.009204 0.004756 0.006423 0.006521 -0.002262 -0.001704 27O 2dyz 0.004693 0.000517 -0.001996 -0.002088 0.002008 -0.001645 27O 2dx2y2 -0.005338 0.003593 0.003316 0.003961 0.004469 -0.000723 27O 2dxy -0.004392 0.002704 0.003477 0.003526 -0.000642 0.002324 27O 1f0 -0.000551 0.000560 0.000378 0.000490 -0.000043 -0.000052 27O 1f+1 -0.000159 0.000205 0.000096 0.000128 0.000031 -0.000001 27O 1f-1 0.000267 -0.000143 0.000081 -0.000170 0.000085 0.000002 27O 1f+2 0.000796 -0.000251 -0.000512 -0.000541 0.000197 -0.000016 27O 1f-2 -0.000177 0.000254 0.000233 0.000185 -0.000144 -0.000036 27O 1f+3 -0.000462 0.000091 0.000264 0.000319 0.000133 0.000055 27O 1f-3 -0.000592 0.000119 0.000231 0.000366 -0.000019 0.000023 28O 1s 0.002684 -0.001319 0.000010 0.000576 0.009969 0.005967 28O 2s 0.006635 -0.003260 0.000030 0.001415 0.024559 0.014742 28O 3s -0.013053 0.006447 -0.000137 -0.002491 -0.045207 -0.026834 28O 4s -0.004177 0.001519 0.000451 -0.004030 -0.053675 -0.027398 28O 5s -0.074467 0.036635 -0.001735 0.002167 0.005608 -0.119113 28O 1pz -0.047244 -0.061228 0.054984 -0.060246 -0.008351 -0.012063 28O 1px -0.023559 -0.042656 0.035072 -0.038560 -0.000950 0.026798 28O 1py 0.049222 0.115315 -0.090941 0.097339 -0.017613 -0.003868 28O 2pz -0.039951 -0.051922 0.045500 -0.051620 -0.011046 0.002209 28O 2px -0.019543 -0.036430 0.028941 -0.033195 -0.001592 0.012286 28O 2py 0.041708 0.098397 -0.075420 0.083561 -0.018417 -0.000003 28O 3pz -0.071410 -0.066987 0.071078 -0.074044 -0.048545 -0.042012 28O 3px -0.032650 -0.048683 0.045493 -0.038792 0.076856 -0.008621 28O 3py 0.050809 0.143255 -0.117328 0.113793 -0.010931 -0.033510 28O 1dz2 -0.000807 -0.002137 0.001332 -0.001409 -0.000068 0.000121 28O 1dxz 0.000083 0.000491 -0.000379 0.000346 0.000178 -0.000403 28O 1dyz 0.001125 0.001355 -0.001035 0.001051 -0.000331 0.000359 28O 1dx2y2 0.000099 0.000154 -0.000233 0.000103 -0.000187 0.000398 28O 1dxy -0.000990 -0.001930 0.001379 -0.001384 -0.000030 0.000123 28O 2dz2 -0.004588 -0.007637 0.004536 -0.005192 0.000152 0.001298 28O 2dxz -0.000675 -0.000036 -0.000303 -0.000144 -0.005312 -0.001349 28O 2dyz 0.000885 0.006970 -0.003614 0.003790 -0.001587 -0.000127 28O 2dx2y2 -0.000954 -0.001019 -0.000071 0.000018 0.003366 -0.000821 28O 2dxy -0.004358 -0.005499 0.004508 -0.004740 -0.000458 -0.001968 28O 1f0 -0.000053 0.000045 -0.000180 0.000063 0.000115 -0.000056 28O 1f+1 -0.000198 -0.000762 0.000307 -0.000486 0.000127 0.000030 28O 1f-1 -0.000457 -0.000111 0.000132 -0.000206 0.000035 -0.000044 28O 1f+2 -0.000024 -0.000213 -0.000082 -0.000112 -0.000162 0.000054 28O 1f-2 0.000343 0.000674 -0.000471 0.000504 -0.000197 -0.000017 28O 1f+3 0.000005 0.000043 0.000057 0.000018 -0.000114 0.000024 28O 1f-3 0.000428 0.000618 -0.000342 0.000488 0.000030 0.000002 29O 1s -0.000103 0.000046 -0.000549 0.000755 0.016956 -0.023499 29O 2s -0.000236 0.000047 -0.001404 0.001890 0.042433 -0.058369 29O 3s 0.000124 0.000877 0.003076 -0.003833 -0.086929 0.114077 29O 4s 0.001859 -0.004289 -0.001075 -0.002011 -0.046158 0.093618 29O 5s -0.001531 0.011684 0.027925 -0.015372 -0.359545 0.429572 29O 1pz 0.008112 0.000655 0.000540 0.000383 0.012446 -0.020212 29O 1px 0.003141 0.000539 0.001915 0.000244 -0.022424 0.040605 29O 1py 0.001082 -0.009752 -0.001614 0.001697 0.044929 -0.066948 29O 2pz 0.002886 0.000779 -0.000412 0.000512 0.011740 -0.014837 29O 2px 0.001394 -0.001139 0.001158 -0.000681 -0.022437 0.028133 29O 2py 0.000712 -0.006473 -0.001104 0.001747 0.036710 -0.049689 29O 3pz 0.022026 0.001027 0.002949 0.000030 0.013596 -0.046760 29O 3px 0.009301 0.007011 0.010238 0.003719 -0.023120 0.103362 29O 3py 0.001323 -0.017107 -0.011430 0.001556 0.058491 -0.099477 29O 1dz2 -0.000220 -0.000036 -0.000033 0.000025 0.000845 -0.001044 29O 1dxz 0.000252 0.000047 -0.000073 0.000014 0.000685 -0.000763 29O 1dyz -0.000070 0.000094 0.000014 -0.000002 -0.000105 0.000178 29O 1dx2y2 0.000115 0.000018 0.000078 0.000014 -0.000245 0.000033 29O 1dxy 0.000043 -0.000297 0.000079 0.000003 -0.000097 -0.000064 29O 2dz2 -0.000159 -0.000342 -0.000213 0.000100 0.003741 -0.006350 29O 2dxz 0.000437 0.000050 0.000100 0.000062 0.002650 -0.004572 29O 2dyz -0.000297 0.000069 0.000273 0.000005 -0.000413 0.000856 29O 2dx2y2 0.000104 -0.000197 -0.000731 -0.000030 0.000256 -0.000407 29O 2dxy -0.000141 -0.000647 -0.000558 -0.000058 -0.001060 0.002393 29O 1f0 0.000049 0.000034 -0.000102 0.000015 -0.000091 0.000181 29O 1f+1 0.000095 -0.000021 0.000078 0.000010 0.000063 -0.000083 29O 1f-1 0.000005 -0.000073 -0.000082 0.000008 0.000001 0.000162 29O 1f+2 0.000003 0.000002 0.000048 0.000002 0.000028 0.000011 29O 1f-2 -0.000017 -0.000036 -0.000084 0.000019 -0.000020 0.000189 29O 1f+3 -0.000006 0.000115 0.000002 -0.000007 -0.000020 0.000112 29O 1f-3 -0.000013 0.000035 0.000017 -0.000005 -0.000079 0.000127 30O 1s 0.001425 0.002726 -0.000205 0.000593 0.010293 0.007640 30O 2s 0.003546 0.006736 -0.000528 0.001465 0.025377 0.018841 30O 3s -0.007426 -0.013158 0.001308 -0.002615 -0.046932 -0.034272 30O 4s 0.000128 -0.004036 -0.000751 -0.003361 -0.053119 -0.036618 30O 5s -0.038890 -0.087394 0.010492 -0.013678 -0.020122 -0.116468 30O 1pz -0.115828 0.049516 0.094950 0.096310 -0.011476 -0.011649 30O 1px -0.021119 0.006654 0.016564 0.017118 -0.001950 0.025737 30O 1py -0.070271 0.051708 0.064331 0.066864 0.007979 0.006931 30O 2pz -0.099778 0.042218 0.078888 0.083893 -0.012880 -0.003328 30O 2px -0.017819 0.005801 0.014317 0.013875 -0.004592 0.015174 30O 2py -0.058413 0.043345 0.053053 0.056266 0.011508 -0.003069 30O 3pz -0.141092 0.055270 0.121300 0.109637 -0.035557 -0.025240 30O 3px -0.028238 -0.002097 0.023163 0.022599 0.070288 -0.017458 30O 3py -0.079733 0.072736 0.085104 0.078591 0.025072 0.042726 30O 1dz2 -0.002500 0.001159 0.001700 0.001694 0.000024 -0.000411 30O 1dxz 0.001226 -0.000670 -0.000988 -0.000866 0.000116 -0.000365 30O 1dyz 0.000497 -0.000772 -0.000433 -0.000466 0.000345 -0.000372 30O 1dx2y2 -0.000818 0.000216 0.000438 0.000487 0.000081 0.000397 30O 1dxy 0.001254 -0.000607 -0.000979 -0.000839 0.000138 0.000188 30O 2dz2 -0.009355 0.006140 0.006252 0.006578 -0.000898 0.001341 30O 2dxz 0.002320 -0.001540 -0.002777 -0.002503 -0.003391 -0.001471 30O 2dyz 0.003697 0.000690 -0.001500 -0.001434 -0.000348 -0.000645 30O 2dx2y2 -0.003855 0.001976 0.002080 0.002374 0.002272 -0.001175 30O 2dxy 0.004636 -0.000739 -0.002782 -0.002846 0.004434 0.002806 30O 1f0 0.000299 0.000107 -0.000113 -0.000164 0.000108 0.000036 30O 1f+1 -0.000961 0.000608 0.000560 0.000747 0.000028 0.000048 30O 1f-1 -0.000106 0.000202 0.000332 0.000156 -0.000029 0.000030 30O 1f+2 0.000416 0.000141 -0.000239 -0.000215 -0.000058 0.000009 30O 1f-2 0.000276 -0.000143 -0.000072 -0.000196 -0.000058 -0.000023 30O 1f+3 0.000620 -0.000294 -0.000324 -0.000462 -0.000003 -0.000018 30O 1f-3 -0.000330 0.000210 0.000128 0.000216 -0.000255 -0.000061 31O 1s -0.001413 -0.002691 -0.000250 0.000607 0.010332 -0.007592 31O 2s -0.003518 -0.006651 -0.000639 0.001501 0.025474 -0.018724 31O 3s 0.007363 0.013000 0.001528 -0.002694 -0.047091 0.034036 31O 4s -0.000115 0.003914 -0.000701 -0.003336 -0.053360 0.036433 31O 5s 0.038411 0.086358 0.011973 -0.014223 -0.021360 0.116581 31O 1pz -0.114657 0.049921 -0.095922 -0.096363 0.011546 -0.011592 31O 1px -0.020992 0.006802 -0.016848 -0.017192 0.001761 0.025833 31O 1py -0.069566 0.051746 -0.064683 -0.066995 -0.008076 0.006867 31O 2pz -0.098808 0.042524 -0.079700 -0.083962 0.012812 -0.003182 31O 2px -0.017690 0.005955 -0.014541 -0.013937 0.004499 0.015253 31O 2py -0.057842 0.043390 -0.053349 -0.056397 -0.011503 -0.003205 31O 3pz -0.139644 0.055785 -0.122659 -0.109575 0.035795 -0.025107 31O 3px -0.027961 -0.001804 -0.023743 -0.022605 -0.069816 -0.018142 31O 3py -0.078724 0.072966 -0.085398 -0.078818 -0.025223 0.042836 31O 1dz2 0.002481 -0.001165 0.001720 0.001698 0.000021 0.000414 31O 1dxz -0.001215 0.000674 -0.000997 -0.000869 0.000111 0.000372 31O 1dyz -0.000495 0.000770 -0.000432 -0.000470 0.000340 0.000376 31O 1dx2y2 0.000812 -0.000218 0.000445 0.000487 0.000084 -0.000401 31O 1dxy -0.001243 0.000614 -0.000990 -0.000842 0.000142 -0.000187 31O 2dz2 0.009267 -0.006153 0.006297 0.006586 -0.000873 -0.001356 31O 2dxz -0.002284 0.001557 -0.002794 -0.002509 -0.003390 0.001455 31O 2dyz -0.003687 -0.000678 -0.001562 -0.001431 -0.000336 0.000641 31O 2dx2y2 0.003818 -0.001990 0.002114 0.002375 0.002267 0.001177 31O 2dxy -0.004622 0.000751 -0.002839 -0.002857 0.004414 -0.002782 31O 1f0 0.000300 0.000107 0.000118 0.000163 -0.000108 0.000036 31O 1f+1 -0.000955 0.000609 -0.000567 -0.000749 -0.000030 0.000048 31O 1f-1 -0.000102 0.000203 -0.000331 -0.000156 0.000028 0.000030 31O 1f+2 0.000413 0.000140 0.000246 0.000213 0.000057 0.000009 31O 1f-2 0.000275 -0.000142 0.000074 0.000196 0.000057 -0.000022 31O 1f+3 0.000616 -0.000295 0.000329 0.000463 0.000005 -0.000019 31O 1f-3 -0.000330 0.000211 -0.000130 -0.000217 0.000253 -0.000059 32O 1s 0.000134 -0.000007 -0.000542 0.000756 0.016832 0.023536 32O 2s 0.000315 0.000050 -0.001387 0.001891 0.042125 0.058465 32O 3s -0.000304 -0.001073 0.003035 -0.003831 -0.086334 -0.114265 32O 4s -0.001747 0.004252 -0.001045 -0.002052 -0.045590 -0.093709 32O 5s -0.000300 -0.013029 0.027493 -0.015165 -0.357612 -0.430610 32O 1pz 0.008143 0.000659 -0.000752 -0.000359 -0.011320 -0.018715 32O 1px 0.003172 0.000529 -0.001965 -0.000263 0.022533 0.041101 32O 1py 0.000946 -0.009873 0.001512 -0.001632 -0.044685 -0.067183 32O 2pz 0.002879 0.000794 0.000287 -0.000455 -0.010831 -0.013720 32O 2px 0.001413 -0.001094 -0.001186 0.000681 0.022603 0.028614 32O 2py 0.000501 -0.006617 0.001047 -0.001692 -0.036600 -0.050023 32O 3pz 0.022139 0.000766 -0.004273 -0.000029 -0.012045 -0.044455 32O 3px 0.009717 0.006934 -0.010562 -0.003818 0.022923 0.104087 32O 3py 0.000903 -0.017439 0.011078 -0.001382 -0.058086 -0.099719 32O 1dz2 0.000221 0.000039 -0.000027 0.000024 0.000855 0.001067 32O 1dxz -0.000249 -0.000043 -0.000081 0.000014 0.000674 0.000756 32O 1dyz 0.000070 -0.000090 0.000021 -0.000001 -0.000074 -0.000136 32O 1dx2y2 -0.000117 -0.000018 0.000073 0.000015 -0.000244 -0.000036 32O 1dxy -0.000048 0.000296 0.000083 0.000002 -0.000088 0.000077 32O 2dz2 0.000131 0.000320 -0.000232 0.000104 0.003723 0.006397 32O 2dxz -0.000468 -0.000067 0.000116 0.000063 0.002612 0.004544 32O 2dyz 0.000289 -0.000082 0.000228 0.000019 -0.000220 -0.000525 32O 2dx2y2 -0.000081 0.000207 -0.000716 -0.000036 0.000263 0.000436 32O 2dxy 0.000179 0.000660 -0.000564 -0.000064 -0.000949 -0.002216 32O 1f0 0.000047 0.000033 0.000092 -0.000015 0.000084 0.000163 32O 1f+1 0.000097 -0.000022 -0.000087 -0.000009 -0.000066 -0.000094 32O 1f-1 0.000002 -0.000076 0.000081 -0.000007 -0.000000 0.000168 32O 1f+2 0.000005 0.000008 -0.000050 -0.000001 -0.000024 0.000008 32O 1f-2 -0.000019 -0.000041 0.000082 -0.000019 0.000015 0.000177 32O 1f+3 -0.000001 0.000115 -0.000000 0.000004 0.000021 0.000120 32O 1f-3 -0.000012 0.000036 -0.000016 0.000005 0.000080 0.000133 33O 1s -0.002683 0.001331 -0.000010 0.000569 0.009984 -0.005881 33O 2s -0.006633 0.003288 -0.000020 0.001399 0.024595 -0.014529 33O 3s 0.013066 -0.006486 -0.000040 -0.002476 -0.045259 0.026429 33O 4s 0.004091 -0.001677 0.000490 -0.003904 -0.053816 0.027043 33O 5s 0.074654 -0.035868 -0.000773 0.001994 0.005461 0.118348 33O 1pz -0.046587 -0.060646 -0.056365 0.060886 0.008593 -0.012061 33O 1px -0.022999 -0.041973 -0.035673 0.038743 0.000988 0.026753 33O 1py 0.047803 0.113670 0.092504 -0.097980 0.017410 -0.003756 33O 2pz -0.039402 -0.051463 -0.046662 0.052233 0.011166 0.002290 33O 2px -0.019101 -0.035889 -0.029482 0.033351 0.001703 0.012183 33O 2py 0.040523 0.097005 0.076761 -0.084078 0.018211 0.000168 33O 3pz -0.070618 -0.065852 -0.072620 0.074490 0.048889 -0.042104 33O 3px -0.031888 -0.048226 -0.046492 0.039124 -0.076663 -0.008919 33O 3py 0.048972 0.141261 0.119117 -0.114683 0.010962 -0.033666 33O 1dz2 0.000790 0.002119 0.001366 -0.001427 -0.000068 -0.000121 33O 1dxz -0.000081 -0.000488 -0.000388 0.000353 0.000180 0.000403 33O 1dyz -0.001107 -0.001335 -0.001058 0.001055 -0.000327 -0.000362 33O 1dx2y2 -0.000096 -0.000153 -0.000237 0.000106 -0.000186 -0.000397 33O 1dxy 0.000969 0.001908 0.001408 -0.001395 -0.000033 -0.000122 33O 2dz2 0.004524 0.007572 0.004672 -0.005254 0.000138 -0.001314 33O 2dxz 0.000662 -0.000017 -0.000324 -0.000119 -0.005306 0.001318 33O 2dyz -0.000825 -0.006892 -0.003673 0.003815 -0.001561 0.000112 33O 2dx2y2 0.000954 0.001029 -0.000045 0.000013 0.003357 0.000852 33O 2dxy 0.004284 0.005402 0.004597 -0.004766 -0.000499 0.001953 33O 1f0 -0.000056 0.000042 0.000179 -0.000062 -0.000114 -0.000056 33O 1f+1 -0.000195 -0.000760 -0.000320 0.000495 -0.000124 0.000028 33O 1f-1 -0.000454 -0.000107 -0.000139 0.000207 -0.000034 -0.000045 33O 1f+2 -0.000025 -0.000212 0.000080 0.000113 0.000160 0.000056 33O 1f-2 0.000335 0.000663 0.000478 -0.000506 0.000194 -0.000017 33O 1f+3 0.000007 0.000044 -0.000056 -0.000018 0.000114 0.000023 33O 1f-3 0.000423 0.000612 0.000353 -0.000492 -0.000032 0.000001 34O 1s -0.001276 -0.002635 -0.000218 0.000604 0.009839 0.005724 34O 2s -0.003188 -0.006529 -0.000525 0.001462 0.024278 0.014189 34O 3s 0.006836 0.013042 0.000908 -0.002229 -0.045191 -0.026689 34O 4s -0.001260 0.002844 0.001227 -0.005503 -0.048503 -0.021872 34O 5s 0.044379 0.079715 -0.000900 -0.000256 -0.029199 -0.106651 34O 1pz -0.118522 0.051912 -0.099341 -0.099069 0.011204 -0.006093 34O 1px -0.027265 0.006858 -0.021051 -0.020989 0.003960 0.027068 34O 1py -0.074534 0.053298 -0.067853 -0.070682 -0.007894 -0.002855 34O 2pz -0.100979 0.043605 -0.082434 -0.084683 0.015165 -0.006081 34O 2px -0.023900 0.005837 -0.018626 -0.019035 0.002914 0.010606 34O 2py -0.062437 0.044746 -0.055475 -0.059942 -0.013039 0.001757 34O 3pz -0.140494 0.055045 -0.123907 -0.113715 -0.018933 0.029158 34O 3px -0.029660 0.002086 -0.021750 -0.016648 0.078069 0.015014 34O 3py -0.083412 0.077584 -0.089382 -0.082105 0.012514 -0.041713 34O 1dz2 0.000383 0.000049 0.000065 0.000164 0.000167 -0.000363 34O 1dxz 0.002362 -0.001377 0.001790 0.001703 0.000029 -0.000164 34O 1dyz -0.000723 0.000672 -0.000548 -0.000566 0.000234 -0.000333 34O 1dx2y2 0.000973 -0.000510 0.000653 0.000647 -0.000102 0.000380 34O 1dxy 0.001615 -0.000476 0.001143 0.001004 0.000047 -0.000240 34O 2dz2 0.003108 -0.002506 0.001633 0.001909 -0.001979 -0.000412 34O 2dxz 0.009138 -0.004779 0.006495 0.006538 -0.002262 0.001703 34O 2dyz -0.004699 -0.000495 -0.002082 -0.002103 0.001994 0.001652 34O 2dx2y2 0.005299 -0.003613 0.003338 0.003987 0.004477 0.000743 34O 2dxy 0.004349 -0.002725 0.003522 0.003536 -0.000615 -0.002342 34O 1f0 -0.000548 0.000562 -0.000380 -0.000493 0.000042 -0.000051 34O 1f+1 -0.000158 0.000206 -0.000095 -0.000130 -0.000032 -0.000001 34O 1f-1 0.000268 -0.000140 -0.000080 0.000170 -0.000085 0.000002 34O 1f+2 0.000790 -0.000251 0.000519 0.000540 -0.000196 -0.000017 34O 1f-2 -0.000174 0.000256 -0.000233 -0.000187 0.000143 -0.000034 34O 1f+3 -0.000459 0.000092 -0.000269 -0.000320 -0.000134 0.000055 34O 1f-3 -0.000589 0.000121 -0.000239 -0.000366 0.000018 0.000024 35O 1s -0.002645 0.001394 0.000010 0.000586 0.010620 0.007845 35O 2s -0.006565 0.003471 0.000058 0.001458 0.026212 0.019423 35O 3s 0.013382 -0.007209 -0.000536 -0.002786 -0.048846 -0.036753 35O 4s 0.001254 0.000351 0.002084 -0.002124 -0.050321 -0.029472 35O 5s 0.080728 -0.054585 -0.011074 -0.012614 -0.059705 -0.127824 35O 1pz -0.048213 -0.065339 -0.059962 0.064190 0.004623 -0.003598 35O 1px -0.025399 -0.040620 -0.035797 0.038430 0.003028 0.028734 35O 1py 0.050698 0.120076 0.096842 -0.103576 0.014816 0.004848 35O 2pz -0.041080 -0.054135 -0.048786 0.054657 0.012398 -0.005007 35O 2px -0.022332 -0.034358 -0.030229 0.031725 0.000016 0.016469 35O 2py 0.042373 0.102439 0.080034 -0.088915 0.017107 0.000106 35O 3pz -0.067718 -0.075239 -0.079901 0.071335 -0.039064 0.037854 35O 3px -0.033717 -0.054333 -0.048232 0.047484 0.067239 0.007833 35O 3py 0.051156 0.138562 0.121373 -0.117509 0.014324 0.022601 35O 1dz2 0.000332 0.000778 0.000407 -0.000547 -0.000125 -0.000246 35O 1dxz 0.000572 0.001570 0.001056 -0.001018 0.000150 -0.000268 35O 1dyz -0.000288 0.000266 0.000166 -0.000104 -0.000148 0.000250 35O 1dx2y2 0.000982 0.002012 0.001366 -0.001384 0.000080 0.000572 35O 1dxy -0.001031 -0.001481 -0.001238 0.001166 -0.000130 0.000397 35O 2dz2 0.003914 0.004628 0.002913 -0.003323 -0.002759 -0.002035 35O 2dxz 0.002763 0.006383 0.004014 -0.004673 -0.000374 0.002575 35O 2dyz 0.001737 -0.002137 -0.000173 0.000155 -0.001760 -0.000629 35O 2dx2y2 0.004310 0.008209 0.005436 -0.006203 0.003838 0.000401 35O 2dxy -0.002332 -0.005641 -0.004125 0.004068 0.001472 0.002521 35O 1f0 -0.000272 -0.000748 -0.000228 0.000531 0.000011 -0.000002 35O 1f+1 0.000023 0.000024 0.000067 -0.000044 -0.000187 -0.000116 35O 1f-1 -0.000104 0.000362 0.000152 -0.000186 0.000032 -0.000021 35O 1f+2 0.000164 0.000253 0.000336 -0.000237 0.000065 0.000035 35O 1f-2 -0.000158 0.000226 0.000161 -0.000111 -0.000082 0.000001 35O 1f+3 -0.000637 -0.000976 -0.000677 0.000823 -0.000134 0.000019 35O 1f-3 0.000343 0.000327 0.000207 -0.000256 -0.000081 -0.000115 126 127 128 129 130 131 0.04695 0.05435 0.05485 0.07250 0.10431 0.10689 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s -0.000927 0.000015 -0.000277 0.000094 0.000802 0.001005 0Rh 2s 0.003526 0.000264 0.000862 -0.000353 -0.002986 -0.004433 0Rh 3s -0.003198 0.000253 -0.001073 0.000329 0.002807 0.003088 0Rh 4s -0.015365 -0.001308 -0.003645 0.001542 0.013013 0.019655 0Rh 5s 0.012555 0.003660 0.001239 -0.001318 -0.010096 -0.020867 0Rh 6s 0.024287 -0.007694 0.012613 -0.002286 -0.023251 -0.014153 0Rh 7s 0.125161 0.012551 0.034088 0.017695 0.013458 0.096324 0Rh 8s -0.329849 0.284089 -0.431661 -0.040020 0.020862 -1.053931 0Rh 1pz 0.002684 -0.003607 -0.000588 -0.000009 -0.000444 -0.000315 0Rh 1px -0.009310 -0.001017 -0.000361 0.000450 0.003065 -0.002724 0Rh 1py -0.001591 -0.000600 0.003870 0.000165 0.000388 -0.000083 0Rh 2pz -0.009134 0.012364 0.002014 0.000035 0.001606 0.000984 0Rh 2px 0.031808 0.003447 0.001286 -0.001530 -0.010503 0.009409 0Rh 2py 0.005458 0.002062 -0.013252 -0.000578 -0.001347 0.000315 0Rh 3pz 0.007152 -0.011328 -0.001828 -0.000104 -0.002975 0.000925 0Rh 3px -0.027231 -0.002460 -0.002022 0.001173 0.009390 -0.009807 0Rh 3py -0.005093 -0.002030 0.011867 0.000786 0.001512 -0.000848 0Rh 4pz 0.014233 -0.012988 -0.002219 0.000195 0.003486 -0.007825 0Rh 4px -0.041033 -0.006170 0.001682 0.002474 0.012334 -0.005755 0Rh 4py -0.005519 -0.001642 0.015094 -0.000375 0.000512 0.001735 0Rh 5pz -0.001752 -0.011757 -0.002035 -0.000573 -0.007036 0.011449 0Rh 5px -0.007544 0.001352 -0.006977 -0.000348 0.006091 -0.017275 0Rh 5py -0.004328 -0.003165 0.010137 0.001942 0.002217 -0.003690 0Rh 6pz -0.061654 0.237758 0.046408 0.047404 0.089722 -0.136508 0Rh 6px 0.132374 -0.009157 0.110378 -0.007856 -0.057910 0.384875 0Rh 6py 0.087384 0.059507 -0.211276 0.058539 -0.024771 0.044149 0Rh 1dz2 0.002214 0.000659 0.000557 0.005229 -0.000765 0.000417 0Rh 1dxz 0.002784 -0.002627 0.000536 -0.000231 -0.003823 -0.000552 0Rh 1dyz 0.001039 -0.001370 0.000320 0.011286 -0.000464 -0.001039 0Rh 1dx2y2 -0.003567 -0.000471 -0.001257 0.002300 0.003276 0.000604 0Rh 1dxy -0.000727 -0.000527 0.003111 0.004860 0.001581 -0.001169 0Rh 2dz2 -0.000068 -0.000319 0.000033 -0.000278 0.000156 -0.000103 0Rh 2dxz -0.000070 0.000477 -0.000065 0.000101 -0.000051 0.000075 0Rh 2dyz -0.000080 0.000060 0.000313 -0.000672 0.000004 0.000043 0Rh 2dx2y2 0.000119 0.000166 0.000305 -0.000078 -0.000275 0.000105 0Rh 2dxy 0.000156 0.000080 -0.000509 -0.000214 -0.000116 0.000186 0Rh 3dz2 -0.003497 0.000150 -0.001080 -0.007737 0.000695 -0.000332 0Rh 3dxz -0.004472 0.002578 -0.000647 0.000005 0.006801 0.000649 0Rh 3dyz -0.001431 0.002088 -0.001800 -0.016428 0.000804 0.001593 0Rh 3dx2y2 0.005602 0.000134 0.000915 -0.003627 -0.004530 -0.001429 0Rh 3dxy 0.000624 0.000578 -0.003286 -0.007398 -0.002253 0.001277 0Rh 4dz2 -0.003998 -0.004880 -0.000293 -0.011463 0.002990 -0.001553 0Rh 4dxz -0.004856 0.009579 -0.001588 0.001535 0.004711 0.001727 0Rh 4dyz -0.002468 0.002631 0.003655 -0.025649 0.000228 0.002533 0Rh 4dx2y2 0.006521 0.002780 0.005591 -0.004514 -0.008189 0.000233 0Rh 4dxy 0.002801 0.001679 -0.010602 -0.010145 -0.003806 0.004061 0Rh 5dz2 -0.002531 0.017498 -0.007526 0.002028 -0.005551 -0.000328 0Rh 5dxz -0.002910 -0.016382 0.001342 -0.004230 0.018419 -0.001544 0Rh 5dyz 0.000641 0.005430 -0.026957 0.009724 0.007700 -0.005942 0Rh 5dx2y2 0.003133 -0.008983 -0.012337 -0.000317 0.003941 -0.006376 0Rh 5dxy -0.005068 -0.001468 0.014177 -0.000107 0.001683 -0.007957 0Rh 1f0 -0.000393 -0.000297 0.000353 0.000110 -0.000313 -0.000248 0Rh 1f+1 0.000359 -0.001043 -0.000108 -0.000213 0.000065 -0.000272 0Rh 1f-1 0.000108 -0.000600 0.000571 0.000171 -0.000064 0.000149 0Rh 1f+2 0.000591 0.001236 -0.000019 0.000052 -0.000606 0.001320 0Rh 1f-2 0.000043 0.000151 0.001000 -0.000114 0.000232 0.000190 0Rh 1f+3 0.000437 -0.000480 -0.001009 0.000030 -0.000268 -0.000132 0Rh 1f-3 0.000091 -0.000179 0.001092 0.000111 -0.000350 0.000452 1Rh 1s -0.000919 -0.000012 0.000292 0.000092 0.000781 -0.001002 1Rh 2s 0.003509 -0.000274 -0.000922 -0.000349 -0.002902 0.004424 1Rh 3s -0.003163 -0.000241 0.001122 0.000320 0.002739 -0.003081 1Rh 4s -0.015298 0.001347 0.003912 0.001525 0.012648 -0.019615 1Rh 5s 0.012609 -0.003671 -0.001483 -0.001331 -0.009759 0.020832 1Rh 6s 0.023773 0.007555 -0.012937 -0.002154 -0.022792 0.014097 1Rh 7s 0.125623 -0.013759 -0.037274 0.017951 0.011678 -0.096615 1Rh 8s -0.319821 -0.279974 0.439191 -0.046385 0.032216 1.054795 1Rh 1pz -0.002691 -0.003616 -0.000557 -0.000001 0.000444 -0.000288 1Rh 1px 0.009317 -0.001000 -0.000446 -0.000456 -0.003106 -0.002738 1Rh 1py 0.001613 -0.000598 0.003859 -0.000153 -0.000419 -0.000130 1Rh 2pz 0.009159 0.012395 0.001910 -0.000001 -0.001608 0.000891 1Rh 2px -0.031829 0.003389 0.001578 0.001550 0.010642 0.009455 1Rh 2py -0.005534 0.002056 -0.013217 0.000536 0.001452 0.000473 1Rh 3pz -0.007191 -0.011357 -0.001734 0.000060 0.003013 0.000989 1Rh 3px 0.027213 -0.002424 -0.002294 -0.001180 -0.009515 -0.009844 1Rh 3py 0.005153 -0.002021 0.011840 -0.000731 -0.001571 -0.000957 1Rh 4pz -0.014203 -0.013022 -0.002100 -0.000183 -0.003614 -0.007649 1Rh 4px 0.041193 -0.006046 0.001382 -0.002541 -0.012494 -0.005832 1Rh 4py 0.005633 -0.001650 0.015033 0.000360 -0.000765 0.001429 1Rh 5pz 0.001655 -0.011766 -0.001981 0.000426 0.007264 0.011433 1Rh 5px 0.007283 0.001288 -0.007167 0.000424 -0.006168 -0.017220 1Rh 5py 0.004324 -0.003131 0.010140 -0.001802 -0.002052 -0.003573 1Rh 6pz 0.061843 0.236507 0.045711 -0.044927 -0.092334 -0.136952 1Rh 6px -0.128636 -0.009672 0.111580 0.006793 0.060865 0.385057 1Rh 6py -0.087928 0.058559 -0.209080 -0.060212 0.024587 0.042138 1Rh 1dz2 0.002196 -0.000690 -0.000614 0.005217 -0.000938 -0.000511 1Rh 1dxz 0.002773 0.002614 -0.000576 -0.000239 -0.003871 0.000526 1Rh 1dyz 0.001072 0.001351 -0.000355 0.011293 -0.000530 0.001049 1Rh 1dx2y2 -0.003528 0.000475 0.001330 0.002286 0.003191 -0.000601 1Rh 1dxy -0.000746 0.000515 -0.003103 0.004862 0.001530 0.001094 1Rh 2dz2 -0.000067 0.000317 -0.000026 -0.000278 0.000157 0.000100 1Rh 2dxz -0.000069 -0.000477 0.000067 0.000100 -0.000053 -0.000070 1Rh 2dyz -0.000085 -0.000056 -0.000309 -0.000671 0.000006 -0.000038 1Rh 2dx2y2 0.000112 -0.000168 -0.000307 -0.000079 -0.000277 -0.000107 1Rh 2dxy 0.000159 -0.000076 0.000507 -0.000210 -0.000116 -0.000183 1Rh 3dz2 -0.003472 -0.000089 0.001152 -0.007718 0.000989 0.000504 1Rh 3dxz -0.004456 -0.002557 0.000706 0.000024 0.006890 -0.000623 1Rh 3dyz -0.001468 -0.002071 0.001844 -0.016443 0.000909 -0.001631 1Rh 3dx2y2 0.005563 -0.000135 -0.001032 -0.003603 -0.004377 0.001429 1Rh 3dxy 0.000643 -0.000573 0.003281 -0.007416 -0.002165 -0.001157 1Rh 4dz2 -0.003959 0.004904 0.000457 -0.011435 0.003252 0.001670 1Rh 4dxz -0.004824 -0.009550 0.001676 0.001530 0.004763 -0.001627 1Rh 4dyz -0.002581 -0.002559 -0.003552 -0.025643 0.000327 -0.002463 1Rh 4dx2y2 0.006384 -0.002803 -0.005719 -0.004498 -0.008083 -0.000245 1Rh 4dxy 0.002862 -0.001619 0.010571 -0.010099 -0.003737 -0.003915 1Rh 5dz2 -0.002473 -0.017348 0.007368 0.001955 -0.004933 0.000584 1Rh 5dxz -0.002954 0.016388 -0.001342 -0.004112 0.018627 0.001343 1Rh 5dyz 0.000882 -0.005596 0.026787 0.009486 0.008192 0.005283 1Rh 5dx2y2 0.003321 0.008961 0.012205 -0.000305 0.004248 0.006298 1Rh 5dxy -0.005150 0.001313 -0.014125 -0.000355 0.001943 0.007998 1Rh 1f0 0.000396 -0.000296 0.000347 -0.000124 0.000266 -0.000305 1Rh 1f+1 -0.000365 -0.001041 -0.000103 0.000210 -0.000040 -0.000244 1Rh 1f-1 -0.000104 -0.000602 0.000576 -0.000166 0.000065 0.000150 1Rh 1f+2 -0.000593 0.001238 -0.000012 -0.000052 0.000637 0.001323 1Rh 1f-2 -0.000044 0.000148 0.001001 0.000114 -0.000253 0.000183 1Rh 1f+3 -0.000450 -0.000486 -0.001010 -0.000037 0.000241 -0.000167 1Rh 1f-3 -0.000081 -0.000179 0.001089 -0.000107 0.000338 0.000449 2C 1s -0.014251 -0.027295 0.013340 0.023424 -0.002802 0.004234 2C 2s -0.031858 -0.061618 0.029946 0.052844 -0.006202 0.009552 2C 3s 0.080690 0.166642 -0.075208 -0.139796 0.014113 -0.027311 2C 4s -0.043868 -0.141435 0.035918 0.100127 -0.011224 0.048823 2C 5s 1.809200 3.944142 -1.861069 -3.118358 0.395943 -0.561029 2C 1pz -0.015367 -0.042780 0.009644 0.049691 0.008171 -0.018465 2C 1px -0.019656 -0.024844 0.008988 0.012291 -0.066849 0.089585 2C 1py -0.009693 -0.017164 0.024029 0.031106 0.011535 -0.000833 2C 2pz 0.017871 0.058570 -0.034069 -0.035168 -0.002690 0.018646 2C 2px 0.015082 0.012701 -0.008174 -0.001777 -0.000680 0.011530 2C 2py 0.011782 0.041755 -0.024486 -0.029555 -0.006514 0.017338 2C 3pz 0.094561 0.180732 -0.133338 -0.105927 0.193259 -0.238063 2C 3px -0.170194 -0.076795 0.003376 -0.043691 -0.521539 0.513800 2C 3py 0.088464 0.192488 -0.033067 -0.076571 0.148890 -0.135990 2C 1dz2 0.000867 0.001689 -0.000495 -0.000578 -0.001223 0.000687 2C 1dxz -0.000905 -0.000488 0.000625 0.000067 -0.003444 0.006592 2C 1dyz 0.002114 0.002312 -0.001522 -0.000555 0.001090 -0.000942 2C 1dx2y2 0.000923 0.000296 0.000084 0.000326 0.003533 -0.004444 2C 1dxy 0.000660 0.000409 -0.000135 0.000154 0.000357 0.001826 2C 2dz2 0.012735 0.028526 -0.018580 -0.033516 0.003391 -0.000137 2C 2dxz 0.001931 0.015010 -0.022435 -0.023576 -0.036371 0.034271 2C 2dyz 0.021857 0.051663 -0.023408 -0.054520 0.021073 -0.024030 2C 2dx2y2 -0.000069 -0.013411 -0.000213 0.016336 0.021448 -0.033097 2C 2dxy 0.001835 0.020235 0.002209 -0.016206 0.000197 0.004856 2C 1f0 -0.000715 -0.003118 0.000273 0.002471 0.001326 -0.002625 2C 1f+1 0.000304 0.001135 0.000581 -0.000759 0.001925 -0.001667 2C 1f-1 -0.000941 -0.000745 0.000301 -0.000980 -0.001633 0.002504 2C 1f+2 0.002452 0.006180 -0.002837 -0.005276 -0.002276 0.002211 2C 1f-2 -0.003352 -0.007045 0.001896 0.005499 -0.002193 0.002616 2C 1f+3 0.003707 0.007902 -0.004979 -0.007988 -0.000047 -0.000695 2C 1f-3 0.001233 0.001860 -0.000282 -0.001265 0.003471 -0.004073 3C 1s -0.015071 -0.013091 -0.027676 -0.022693 0.005024 0.004679 3C 2s -0.033799 -0.029365 -0.062454 -0.051158 0.011354 0.010465 3C 3s 0.087925 0.074582 0.169387 0.135693 -0.027330 -0.026664 3C 4s -0.059101 -0.036506 -0.145781 -0.097249 0.011780 0.027152 3C 5s 2.003165 1.820560 3.980090 2.976812 -0.812348 -0.694373 3C 1pz -0.002010 -0.017902 -0.006139 -0.024241 0.006402 -0.015184 3C 1px -0.013415 -0.016636 -0.019585 -0.020688 -0.044320 0.044028 3C 1py 0.023671 0.010793 0.048870 0.049325 -0.030370 -0.002081 3C 2pz 0.008708 0.027193 0.037710 0.029038 -0.003250 0.010742 3C 2px 0.015334 0.012790 0.026197 0.010089 0.002752 0.015835 3C 2py -0.023483 -0.035703 -0.057838 -0.031010 0.004645 -0.008487 3C 3pz 0.163313 0.035717 0.254382 0.051332 -0.038134 -0.229010 3C 3px -0.038098 -0.009568 0.003599 0.056362 -0.452940 0.149421 3C 3py -0.047164 -0.127136 -0.160472 -0.105325 -0.013772 0.130071 3C 1dz2 -0.000824 0.000085 -0.000811 0.000152 0.000319 -0.000564 3C 1dxz -0.000689 0.000079 -0.000248 0.000444 -0.003292 0.004114 3C 1dyz -0.002312 -0.001648 -0.002459 -0.000365 -0.001937 0.001064 3C 1dx2y2 -0.000623 -0.000265 -0.000821 -0.000572 -0.000727 -0.000752 3C 1dxy -0.000259 -0.000358 -0.000696 -0.000190 -0.001432 -0.002640 3C 2dz2 -0.006575 -0.004021 -0.016081 -0.014342 0.011199 0.001239 3C 2dxz 0.006810 -0.000018 0.017809 0.016601 -0.039402 0.016656 3C 2dyz -0.018195 -0.013574 -0.049731 -0.047151 0.002790 0.015163 3C 2dx2y2 -0.011954 -0.027732 -0.025401 -0.032166 0.001129 0.001395 3C 2dxy -0.013916 -0.022306 -0.028322 -0.033875 0.010292 0.002357 3C 1f0 -0.002097 -0.003883 -0.004187 -0.005241 0.000275 0.000397 3C 1f+1 -0.000830 -0.000950 -0.001640 -0.001600 0.002242 -0.001467 3C 1f-1 -0.002329 -0.001244 -0.005164 -0.004290 0.002234 0.000736 3C 1f+2 0.004659 0.004042 0.009460 0.007384 -0.000183 -0.001479 3C 1f-2 0.003047 0.002481 0.005948 0.004450 -0.001646 -0.000096 3C 1f+3 0.000267 -0.000810 0.001348 0.001487 -0.003011 0.000845 3C 1f-3 -0.000782 -0.000690 -0.001857 -0.001791 -0.001940 0.002312 4C 1s -0.003332 0.004007 -0.001646 -0.002840 0.000491 0.000194 4C 2s -0.006986 0.009460 -0.003881 -0.006303 0.001195 0.000345 4C 3s 0.017791 -0.008789 -0.001772 -0.009366 0.007221 -0.004955 4C 4s 0.043369 -0.055305 0.049534 0.139540 -0.037714 -0.006355 4C 5s -0.821004 -1.724113 0.903978 1.168014 -0.267919 0.222921 4C 1pz 0.010328 -0.001914 -0.001332 -0.002506 0.012371 -0.020488 4C 1px 0.005555 -0.001169 -0.004409 0.001706 0.006976 0.009569 4C 1py 0.002294 -0.004960 0.005972 -0.005209 -0.000680 -0.009416 4C 2pz 0.008669 -0.001404 -0.019443 -0.041242 -0.021635 -0.005439 4C 2px -0.013328 -0.009400 -0.004903 0.009534 0.062124 -0.006799 4C 2py -0.005858 0.007832 0.027306 -0.027815 0.006061 -0.009360 4C 3pz 0.317896 0.725066 -0.284336 -0.417533 0.037493 -0.179913 4C 3px 0.115022 0.058613 0.098910 0.044080 0.455788 -0.074317 4C 3py 0.209908 0.356309 -0.303634 -0.231705 0.106844 -0.072290 4C 1dz2 0.001040 0.001266 -0.001632 -0.000463 -0.000512 0.001752 4C 1dxz -0.000970 -0.002561 0.000740 0.001974 0.001870 -0.003006 4C 1dyz 0.003706 0.006474 -0.002972 -0.002613 0.000785 -0.000350 4C 1dx2y2 0.002765 0.004567 -0.002881 -0.002903 0.001244 -0.001032 4C 1dxy 0.002314 0.004200 -0.001699 -0.001842 0.001816 -0.002418 4C 2dz2 0.002298 -0.024231 0.015321 0.019550 -0.011156 -0.005204 4C 2dxz 0.003899 -0.007559 0.003411 0.008629 0.045099 -0.044110 4C 2dyz -0.001406 -0.026114 0.014768 0.030451 0.004589 -0.010498 4C 2dx2y2 -0.008260 0.019131 -0.004445 -0.010201 -0.009959 0.016283 4C 2dxy -0.001020 0.001437 -0.003867 0.003972 0.016925 -0.021218 4C 1f0 0.000053 -0.000067 -0.000244 -0.000549 0.000346 -0.000908 4C 1f+1 -0.000123 -0.000801 0.000833 -0.000660 0.002193 -0.000644 4C 1f-1 0.000514 0.000608 -0.000886 -0.000866 -0.000152 0.000301 4C 1f+2 -0.000102 -0.000309 0.000076 0.000889 -0.002940 0.002088 4C 1f-2 -0.000293 -0.000796 -0.000826 -0.000027 0.000849 0.000027 4C 1f+3 0.000298 0.000399 0.001360 -0.000151 -0.000697 0.001149 4C 1f-3 0.000458 -0.001307 -0.000998 -0.000816 0.000205 -0.001415 5C 1s -0.003164 0.001972 0.003918 0.003178 0.000938 0.001124 5C 2s -0.006600 0.004626 0.009218 0.007011 0.002406 0.002536 5C 3s 0.017052 -0.001654 -0.003320 0.008100 -0.019589 -0.010706 5C 4s 0.041683 -0.045593 -0.085113 -0.145193 0.071651 0.004004 5C 5s -0.899281 -0.868761 -1.766107 -1.056571 0.235176 0.268058 5C 1pz -0.003532 -0.006442 -0.003244 0.003629 -0.005613 -0.002997 5C 1px -0.002873 -0.000759 -0.004714 0.002805 -0.001753 0.013919 5C 1py -0.015437 -0.000624 -0.000987 -0.001602 0.016687 0.028318 5C 2pz -0.004089 -0.017892 0.003500 0.026492 -0.033110 0.004148 5C 2px -0.005477 -0.024464 0.005322 0.006659 0.046292 -0.003325 5C 2py -0.010131 -0.026071 0.008089 -0.037370 0.035978 0.028838 5C 3pz 0.199098 0.313877 0.320334 0.245388 -0.211305 -0.152353 5C 3px 0.071630 0.106669 0.242662 0.090521 0.244455 0.024626 5C 3py -0.382088 -0.233230 -0.696655 -0.366963 0.319304 0.235808 5C 1dz2 -0.003094 -0.003089 -0.004890 -0.002431 -0.000980 0.000740 5C 1dxz -0.001334 -0.001652 -0.002018 -0.001716 -0.000382 -0.000782 5C 1dyz -0.004222 -0.003102 -0.007241 -0.002996 -0.000462 -0.001529 5C 1dx2y2 0.001120 0.000216 0.002100 0.001558 0.002343 -0.001006 5C 1dxy -0.001048 -0.000972 -0.001542 0.000006 -0.001748 0.002338 5C 2dz2 0.004262 0.002247 0.000201 0.003226 -0.019175 -0.003460 5C 2dxz 0.006065 -0.007235 -0.009312 -0.009277 0.020991 -0.017852 5C 2dyz 0.004017 0.009430 0.025990 0.025979 0.005887 0.002666 5C 2dx2y2 -0.001632 0.015524 0.025239 0.020850 0.018837 0.007738 5C 2dxy -0.001245 0.015698 0.009331 0.014624 -0.019533 0.018793 5C 1f0 -0.000244 -0.000366 -0.000502 -0.000186 0.000388 -0.000692 5C 1f+1 -0.000061 0.001261 -0.001063 0.000468 -0.000924 -0.000561 5C 1f-1 -0.000500 0.000326 -0.000737 -0.000215 0.001369 0.000572 5C 1f+2 -0.000326 -0.001313 -0.000213 -0.000437 0.000079 0.000327 5C 1f-2 -0.000187 0.000706 -0.000673 -0.000761 -0.000448 0.000971 5C 1f+3 -0.000363 0.000339 -0.000503 0.000973 -0.002028 -0.000298 5C 1f-3 -0.000517 0.000970 -0.000537 -0.000810 0.001343 0.002008 6C 1s -0.003176 -0.001989 -0.003905 0.003147 0.000959 -0.001121 6C 2s -0.006627 -0.004660 -0.009192 0.006941 0.002454 -0.002531 6C 3s 0.017046 0.001625 0.003323 0.008112 -0.019515 0.010920 6C 4s 0.041735 0.046087 0.084190 -0.144196 0.070441 -0.004754 6C 5s -0.890342 0.866306 1.772984 -1.047282 0.234383 -0.281830 6C 1pz 0.003199 -0.006297 -0.003271 -0.003449 0.005792 -0.003614 6C 1px 0.002795 -0.000712 -0.004716 -0.002730 0.001936 0.014102 6C 1py 0.015199 -0.000480 -0.001010 0.001606 -0.016558 0.028627 6C 2pz 0.003965 -0.017881 0.003689 -0.026187 0.033447 0.003201 6C 2px 0.005352 -0.024584 0.004974 -0.006626 -0.045890 -0.001326 6C 2py 0.010078 -0.025627 0.007747 0.037178 -0.035781 0.029574 6C 3pz -0.198058 0.313599 0.323915 -0.242166 0.209038 -0.162408 6C 3px -0.069070 0.106665 0.243155 -0.087241 -0.239507 0.028868 6C 3py 0.376163 -0.232975 -0.702350 0.363293 -0.321350 0.248874 6C 1dz2 -0.003068 0.003079 0.004909 -0.002409 -0.000977 -0.000752 6C 1dxz -0.001327 0.001655 0.002036 -0.001711 -0.000389 0.000809 6C 1dyz -0.004181 0.003109 0.007294 -0.002983 -0.000480 0.001536 6C 1dx2y2 0.001112 -0.000227 -0.002113 0.001546 0.002352 0.000967 6C 1dxy -0.001041 0.000971 0.001545 0.000017 -0.001739 -0.002335 6C 2dz2 0.004269 -0.002211 -0.000055 0.003195 -0.018706 0.003692 6C 2dxz 0.006189 0.007125 0.009412 -0.009160 0.020800 0.017426 6C 2dyz 0.003992 -0.009452 -0.025998 0.025899 0.005878 -0.002944 6C 2dx2y2 -0.001845 -0.015338 -0.025550 0.020815 0.018723 -0.008501 6C 2dxy -0.001384 -0.015552 -0.009339 0.014359 -0.019479 -0.018241 6C 1f0 0.000230 -0.000358 -0.000515 0.000177 -0.000384 -0.000686 6C 1f+1 0.000045 0.001270 -0.001073 -0.000459 0.000934 -0.000620 6C 1f-1 0.000486 0.000322 -0.000732 0.000215 -0.001368 0.000607 6C 1f+2 0.000337 -0.001304 -0.000220 0.000439 -0.000090 0.000356 6C 1f-2 0.000179 0.000702 -0.000647 0.000767 0.000447 0.000947 6C 1f+3 0.000357 0.000343 -0.000519 -0.000965 0.001979 -0.000325 6C 1f-3 0.000520 0.000959 -0.000519 0.000814 -0.001335 0.002071 7C 1s -0.003313 -0.004013 0.001669 -0.002846 0.000478 -0.000163 7C 2s -0.006941 -0.009473 0.003930 -0.006318 0.001167 -0.000272 7C 3s 0.017757 0.008841 0.001589 -0.009288 0.007517 0.004528 7C 4s 0.043158 0.055290 -0.049230 0.139265 -0.037919 0.007106 7C 5s -0.827826 1.720130 -0.899941 1.168554 -0.279564 -0.213304 7C 1pz -0.010148 -0.002146 -0.001218 0.002411 -0.013015 -0.019808 7C 1px -0.005604 -0.001348 -0.004261 -0.001729 -0.006637 0.009749 7C 1py -0.002405 -0.004676 0.005861 0.005196 0.000064 -0.009452 7C 2pz -0.008684 -0.001559 -0.019248 0.041029 0.021011 -0.004747 7C 2px 0.013165 -0.009698 -0.004859 -0.009547 -0.062086 -0.006442 7C 2py 0.005754 0.008226 0.027035 0.028076 -0.006729 -0.009530 7C 3pz -0.318779 0.724902 -0.281812 0.419459 -0.044744 -0.168534 7C 3px -0.113844 0.055652 0.100940 -0.047926 -0.461410 -0.069464 7C 3py -0.213450 0.358519 -0.303265 0.231548 -0.115487 -0.067683 7C 1dz2 0.001010 -0.001214 0.001594 -0.000439 -0.000571 -0.001782 7C 1dxz -0.000998 0.002583 -0.000748 0.001999 0.001933 0.002921 7C 1dyz 0.003769 -0.006494 0.002980 -0.002635 0.000805 0.000358 7C 1dx2y2 0.002769 -0.004516 0.002859 -0.002893 0.001236 0.001012 7C 1dxy 0.002340 -0.004179 0.001688 -0.001837 0.001924 0.002459 7C 2dz2 0.002009 0.024175 -0.015343 0.019590 -0.011179 0.005055 7C 2dxz 0.003993 0.007368 -0.003346 0.008372 0.046034 0.043573 7C 2dyz -0.001631 0.026235 -0.014893 0.030612 0.004903 0.010520 7C 2dx2y2 -0.008135 -0.019362 0.004538 -0.010427 -0.010506 -0.016269 7C 2dxy -0.000877 -0.001560 0.004044 0.003835 0.017550 0.021152 7C 1f0 -0.000065 -0.000065 -0.000245 0.000538 -0.000428 -0.000915 7C 1f+1 0.000125 -0.000801 0.000844 0.000651 -0.002210 -0.000613 7C 1f-1 -0.000533 0.000620 -0.000882 0.000869 0.000145 0.000310 7C 1f+2 0.000092 -0.000299 0.000068 -0.000892 0.003008 0.002021 7C 1f-2 0.000285 -0.000790 -0.000824 0.000028 -0.000829 0.000034 7C 1f+3 -0.000282 0.000381 0.001372 0.000145 0.000734 0.001150 7C 1f-3 -0.000453 -0.001305 -0.000987 0.000801 -0.000235 -0.001374 8C 1s -0.014907 0.013123 0.027850 -0.022543 0.004997 -0.004737 8C 2s -0.033434 0.029443 0.062847 -0.050819 0.011297 -0.010614 8C 3s 0.087009 -0.074939 -0.170354 0.134774 -0.027300 0.027363 8C 4s -0.058734 0.037575 0.146050 -0.096388 0.012313 -0.029729 8C 5s 1.980748 -1.824032 -4.002725 2.953997 -0.813526 0.724729 8C 1pz 0.002153 -0.017812 -0.006374 0.024083 -0.005719 -0.015399 8C 1px 0.013510 -0.016727 -0.019972 0.020524 0.043674 0.043637 8C 1py -0.023211 0.010885 0.048923 -0.049090 0.030479 -0.002348 8C 2pz -0.008599 0.026965 0.037817 -0.028670 0.003193 0.010503 8C 2px -0.015220 0.012666 0.026297 -0.009910 -0.002401 0.015697 8C 2py 0.023015 -0.035440 -0.058200 0.030923 -0.004506 -0.008452 8C 3pz -0.159693 0.034643 0.254928 -0.050827 0.045036 -0.234112 8C 3px 0.039350 -0.010466 0.002573 -0.057023 0.444495 0.145696 8C 3py 0.048020 -0.127291 -0.162146 0.101885 0.014334 0.135908 8C 1dz2 -0.000812 -0.000098 0.000830 0.000142 0.000280 0.000548 8C 1dxz -0.000685 -0.000080 0.000253 0.000449 -0.003229 -0.004122 8C 1dyz -0.002301 0.001647 0.002487 -0.000378 -0.001898 -0.001097 8C 1dx2y2 -0.000616 0.000269 0.000836 -0.000581 -0.000741 0.000823 8C 1dxy -0.000242 0.000362 0.000691 -0.000192 -0.001417 0.002742 8C 2dz2 -0.006471 0.004170 0.016106 -0.014300 0.010711 -0.001696 8C 2dxz 0.006726 0.000199 -0.018009 0.016632 -0.039218 -0.015930 8C 2dyz -0.017870 0.013852 0.049800 -0.046783 0.002705 -0.015311 8C 2dx2y2 -0.011810 0.027334 0.025609 -0.031794 0.001303 -0.001183 8C 2dxy -0.013846 0.022279 0.028577 -0.033731 0.010249 -0.002289 8C 1f0 0.002107 -0.003878 -0.004266 0.005241 -0.000312 0.000364 8C 1f+1 0.000733 -0.000829 -0.001467 0.001423 -0.002200 -0.001459 8C 1f-1 0.002276 -0.001239 -0.005136 0.004226 -0.002211 0.000785 8C 1f+2 -0.004574 0.004058 0.009449 -0.007292 0.000177 -0.001480 8C 1f-2 -0.003076 0.002534 0.006121 -0.004540 0.001659 -0.000161 8C 1f+3 -0.000291 -0.000765 0.001433 -0.001565 0.002968 0.000762 8C 1f-3 0.000725 -0.000680 -0.001769 0.001695 0.001962 0.002286 9C 1s -0.014368 0.027201 -0.013298 0.023428 -0.003007 -0.004132 9C 2s -0.032120 0.061406 -0.029861 0.052857 -0.006658 -0.009320 9C 3s 0.081270 -0.165972 0.075227 -0.139861 0.015151 0.026642 9C 4s -0.043685 0.140506 -0.037153 0.100410 -0.011672 -0.047735 9C 5s 1.823482 -3.934248 1.859737 -3.122014 0.422512 0.535566 9C 1pz 0.015057 -0.042234 0.009418 -0.049653 -0.009221 -0.018970 9C 1px 0.019888 -0.024766 0.009018 -0.012304 0.069451 0.088542 9C 1py 0.010470 -0.017672 0.024438 -0.031258 -0.010391 0.000110 9C 2pz -0.018107 0.058741 -0.033823 0.035443 0.003237 0.018902 9C 2px -0.015186 0.012465 -0.008126 0.001487 0.000447 0.011391 9C 2py -0.012434 0.041821 -0.024361 0.029393 0.006446 0.017050 9C 3pz -0.098141 0.182344 -0.133402 0.104417 -0.209527 -0.236330 9C 3px 0.171563 -0.075767 0.003999 0.046634 0.541603 0.506919 9C 3py -0.083308 0.190173 -0.029949 0.077525 -0.144532 -0.123109 9C 1dz2 0.000892 -0.001687 0.000500 -0.000587 -0.001204 -0.000602 9C 1dxz -0.000917 0.000512 -0.000631 0.000064 -0.003689 -0.006560 9C 1dyz 0.002129 -0.002300 0.001523 -0.000546 0.001083 0.000885 9C 1dx2y2 0.000919 -0.000275 -0.000089 0.000359 0.003707 0.004371 9C 1dxy 0.000664 -0.000416 0.000121 0.000157 0.000354 -0.001735 9C 2dz2 0.012791 -0.028092 0.018225 -0.033023 0.003912 0.000283 9C 2dxz 0.001980 -0.014996 0.022263 -0.023451 -0.037564 -0.034546 9C 2dyz 0.022221 -0.051637 0.023769 -0.054807 0.021629 0.023339 9C 2dx2y2 -0.000003 0.013855 0.000651 0.016615 0.021898 0.032753 9C 2dxy 0.001870 -0.020181 -0.002119 -0.016439 0.000527 -0.003922 9C 1f0 0.000702 -0.003131 0.000245 -0.002515 -0.001374 -0.002590 9C 1f+1 -0.000292 0.001055 0.000589 0.000699 -0.002041 -0.001749 9C 1f-1 0.000903 -0.000631 0.000305 0.001062 0.001638 0.002427 9C 1f+2 -0.002593 0.006420 -0.002921 0.005495 0.002239 0.002098 9C 1f-2 0.003306 -0.006847 0.001848 -0.005361 0.002303 0.002616 9C 1f+3 -0.003675 0.007720 -0.004943 0.007857 0.000121 -0.000520 9C 1f-3 -0.001400 0.002161 -0.000485 0.001584 -0.003612 -0.004080 10H 1s -0.001199 -0.005038 0.002239 0.005528 0.008637 -0.015338 10H 2s 0.010753 0.068772 -0.038115 -0.082165 -0.089243 0.098502 10H 3s -0.294228 -0.974428 0.460530 1.002462 0.681867 -0.816164 10H 1pz 0.003103 0.011423 -0.005472 -0.011924 -0.009376 0.011928 10H 1px -0.007305 -0.022590 0.011002 0.023145 0.015736 -0.018750 10H 1py 0.001277 0.003532 -0.002076 -0.003410 -0.002333 0.003415 11H 1s -0.005371 -0.007204 0.004996 0.006580 -0.005227 0.007906 11H 2s 0.034567 0.081554 0.018740 -0.049346 0.071457 -0.058145 11H 3s -0.653755 -1.249727 0.453617 0.946828 -0.568485 0.627190 11H 1pz 0.008184 0.016602 -0.003650 -0.012417 0.011167 -0.012395 11H 1px 0.009359 0.019613 -0.004595 -0.015078 0.009004 -0.008719 11H 1py -0.009262 -0.017956 0.004665 0.013063 -0.008308 0.007932 12H 1s -0.004714 -0.008112 0.002436 0.006051 -0.003131 0.006035 12H 2s 0.040205 0.043790 -0.070336 -0.056671 0.026832 -0.056654 12H 3s -0.580353 -1.088280 0.632023 0.962769 -0.282506 0.515376 12H 1pz -0.005249 -0.008936 0.005877 0.008043 -0.001215 0.002100 12H 1px 0.004999 0.009623 -0.006447 -0.009642 0.001017 -0.003488 12H 1py 0.013321 0.022127 -0.015716 -0.020294 0.008445 -0.014560 13H 1s -0.001643 -0.001975 -0.004385 -0.005784 0.006059 -0.007960 13H 2s 0.033138 0.043510 0.069687 0.068174 -0.073234 0.027858 13H 3s -0.426129 -0.472399 -0.976338 -0.952623 0.677155 -0.291938 13H 1pz 0.008056 0.008879 0.016816 0.015415 -0.012889 0.004563 13H 1px -0.008856 -0.009358 -0.018922 -0.017885 0.011789 -0.005193 13H 1py -0.002640 -0.003387 -0.006595 -0.006328 0.005791 -0.002368 14H 1s -0.005470 -0.002526 -0.008327 -0.005549 -0.005337 0.006144 14H 2s 0.024740 0.075488 0.047001 0.066862 0.064349 -0.028765 14H 3s -0.567991 -0.623320 -1.079696 -0.933186 -0.340306 0.383494 14H 1pz 0.007301 0.009275 0.012673 0.010949 0.005905 -0.007139 14H 1px 0.011332 0.015305 0.021814 0.020844 0.008680 -0.008074 14H 1py 0.004195 0.004819 0.007116 0.006237 0.002332 -0.000850 15H 1s -0.004435 -0.005317 -0.007671 -0.006280 0.000379 0.002060 15H 2s 0.037778 -0.019526 0.087287 0.055690 -0.024851 -0.023807 15H 3s -0.691821 -0.429811 -1.280408 -0.914946 0.241502 0.358339 15H 1pz -0.012418 -0.005620 -0.024084 -0.017395 0.004214 0.005035 15H 1px 0.001524 0.000754 0.004094 0.003701 -0.003146 0.000052 15H 1py -0.010374 -0.004416 -0.021543 -0.015592 0.004086 0.006819 16H 1s 0.026901 -0.002306 -0.002752 0.004359 0.027093 -0.021023 16H 2s 0.057248 0.007917 -0.007008 0.000830 0.013907 -0.010719 16H 3s 0.477269 -0.223588 -0.000996 0.155688 0.889999 -0.670719 16H 1pz -0.017492 0.006910 0.001034 -0.004306 -0.026625 0.021193 16H 1px 0.000021 0.000238 0.000366 -0.000031 0.003140 -0.002436 16H 1py -0.007070 0.003903 0.000023 -0.002321 -0.014506 0.012068 17H 1s 0.026912 0.002239 -0.002258 -0.004948 -0.028332 0.031925 17H 2s 0.052195 -0.009923 -0.006964 -0.010724 -0.032681 0.036596 17H 3s 0.486621 0.143995 0.083591 -0.152216 -0.884430 1.005293 17H 1pz 0.012347 0.004393 0.000961 -0.002268 -0.015041 0.016004 17H 1px 0.011370 0.003419 0.000652 -0.002272 -0.017466 0.019310 17H 1py -0.010492 -0.003888 -0.001272 0.003136 0.018038 -0.019225 18H 1s 0.026925 -0.002161 0.002100 -0.004958 -0.028954 -0.031271 18H 2s 0.052851 0.010288 0.006386 -0.010368 -0.033040 -0.035451 18H 3s 0.485177 -0.145110 -0.083804 -0.153057 -0.904670 -0.985105 18H 1pz -0.012573 0.004511 0.000978 0.002379 0.015838 0.016160 18H 1px -0.011346 0.003447 0.000667 0.002335 0.017941 0.019006 18H 1py 0.010072 -0.003788 -0.001239 -0.003117 -0.017922 -0.018295 19H 1s 0.027002 0.002405 0.002528 0.004402 0.027581 0.020283 19H 2s 0.057783 -0.007757 0.006910 0.000961 0.014253 0.010008 19H 3s 0.478776 0.224684 -0.007288 0.157972 0.905689 0.648461 19H 1pz 0.017367 0.006877 0.000757 0.004297 0.026738 0.020232 19H 1px -0.000155 0.000182 0.000354 0.000000 -0.003424 -0.002536 19H 1py 0.007481 0.004073 -0.000074 0.002417 0.015341 0.012134 20H 1s -0.004421 0.005311 0.007726 -0.006247 0.000484 -0.002208 20H 2s 0.036739 0.018509 -0.087212 0.055588 -0.024623 0.023829 20H 3s -0.682427 0.432552 1.286388 -0.910609 0.245708 -0.368199 20H 1pz 0.012238 -0.005722 -0.024191 0.017324 -0.004232 0.005140 20H 1px -0.001596 0.000829 0.004314 -0.003840 0.003141 -0.000038 20H 1py 0.010184 -0.004509 -0.021535 0.015444 -0.004116 0.006989 21H 1s -0.005397 0.002539 0.008400 -0.005524 -0.005301 -0.006043 21H 2s 0.024732 -0.075137 -0.047378 0.065965 0.063798 0.027070 21H 3s -0.563997 0.625203 1.087000 -0.924775 -0.334454 -0.380910 21H 1pz -0.007322 0.009359 0.012913 -0.010981 -0.005853 -0.007134 21H 1px -0.011190 0.015245 0.021858 -0.020558 -0.008554 -0.007848 21H 1py -0.004199 0.004877 0.007231 -0.006246 -0.002312 -0.000832 22H 1s -0.001589 0.001994 0.004390 -0.005763 0.005885 0.008157 22H 2s 0.032770 -0.042834 -0.070210 0.067846 -0.072846 -0.026143 22H 3s -0.420930 0.472474 0.981780 -0.947631 0.666427 0.287422 22H 1pz -0.007886 0.008758 0.016780 -0.015207 0.012682 0.004358 22H 1px 0.008794 -0.009377 -0.019112 0.017856 -0.011694 -0.005083 22H 1py 0.002658 -0.003430 -0.006745 0.006381 -0.005804 -0.002317 23H 1s -0.004796 0.008081 -0.002460 0.006036 -0.003462 -0.005980 23H 2s 0.041302 -0.043359 0.070859 -0.055968 0.028276 0.055873 23H 3s -0.590533 1.085435 -0.636087 0.960658 -0.305986 -0.508777 23H 1pz 0.005390 -0.009002 0.005985 -0.008118 0.001328 0.002124 23H 1px -0.004904 0.009252 -0.006261 0.009322 -0.001044 -0.003274 23H 1py -0.013595 0.022130 -0.015855 0.020309 -0.009018 -0.014386 24H 1s -0.005380 0.007187 -0.004975 0.006550 -0.005418 -0.007796 24H 2s 0.034441 -0.080869 -0.018556 -0.050115 0.073023 0.057806 24H 3s -0.655169 1.243417 -0.453193 0.948597 -0.586218 -0.615318 24H 1pz -0.008151 0.016411 -0.003628 0.012368 -0.011495 -0.012170 24H 1px -0.009528 0.019812 -0.004678 0.015378 -0.009383 -0.008773 24H 1py 0.009164 -0.017579 0.004608 -0.012880 0.008423 0.007681 25H 1s -0.001206 0.004953 -0.002224 0.005549 0.009162 0.015146 25H 2s 0.010645 -0.068874 0.037512 -0.081970 -0.091253 -0.098073 25H 3s -0.295951 0.971938 -0.458780 1.005719 0.708068 0.809839 25H 1pz -0.003171 0.011555 -0.005498 0.012073 0.009751 0.011978 25H 1px 0.007322 -0.022506 0.010906 -0.023138 -0.016215 -0.018602 25H 1py -0.001171 0.003262 -0.001911 0.003145 0.002258 0.003238 26O 1s -0.002393 -0.008430 0.003271 0.003708 0.004750 -0.003025 26O 2s -0.005858 -0.020993 0.008113 0.009195 0.012210 -0.007917 26O 3s 0.009360 0.041494 -0.015572 -0.017186 -0.029708 0.021601 26O 4s 0.017715 0.016505 -0.005538 -0.007393 0.019173 -0.023743 26O 5s 0.098228 0.271350 -0.153160 -0.174603 -0.324243 0.178843 26O 1pz 0.010535 -0.021183 -0.008358 0.024586 0.005233 -0.010779 26O 1px -0.021587 -0.016833 0.002070 0.004291 -0.031078 0.028430 26O 1py 0.000406 0.000504 0.029869 0.016498 -0.005575 0.007624 26O 2pz 0.014010 -0.013863 -0.012694 0.019220 0.002623 -0.009887 26O 2px -0.027333 -0.017555 0.001865 0.008928 -0.020797 0.022317 26O 2py 0.000542 0.003155 0.020472 0.012721 -0.007909 0.007842 26O 3pz -0.030800 -0.056022 0.032510 0.048014 -0.004979 0.054111 26O 3px -0.024923 -0.051338 0.042882 0.047301 0.050999 -0.013805 26O 3py -0.032306 -0.029943 0.098957 0.055722 0.043497 0.020200 26O 1dz2 -0.000610 0.000213 0.000101 -0.000098 -0.000571 0.000400 26O 1dxz -0.000198 0.000438 0.000145 -0.000292 -0.000868 0.001448 26O 1dyz -0.000179 0.000004 -0.000219 0.000033 -0.000045 0.000389 26O 1dx2y2 0.000799 -0.000150 0.000471 0.000150 0.000828 -0.000955 26O 1dxy 0.000531 -0.000034 -0.000143 0.000138 0.000562 0.000117 26O 2dz2 -0.003687 -0.000835 0.001834 0.001708 0.002510 0.000333 26O 2dxz 0.000978 -0.000119 0.000171 -0.001851 -0.002637 0.001440 26O 2dyz 0.001732 0.002698 -0.000756 -0.001789 -0.000174 0.001145 26O 2dx2y2 0.005148 0.003232 -0.002710 -0.002274 -0.002177 0.000621 26O 2dxy 0.006721 0.003680 -0.003888 -0.004120 -0.001722 0.000965 26O 1f0 -0.000004 -0.000068 -0.000107 -0.000088 0.000074 0.000012 26O 1f+1 0.000392 0.000138 -0.000186 -0.000191 -0.000027 -0.000144 26O 1f-1 0.000156 0.000038 -0.000060 -0.000171 -0.000050 0.000045 26O 1f+2 0.000158 0.000269 -0.000294 -0.000016 0.000027 -0.000087 26O 1f-2 -0.000125 -0.000338 0.000200 0.000232 -0.000146 0.000032 26O 1f+3 0.000254 0.000318 -0.000112 -0.000180 -0.000121 -0.000066 26O 1f-3 0.000648 0.000595 -0.000463 -0.000483 0.000164 -0.000079 27O 1s -0.004101 -0.003928 -0.009092 -0.002899 0.001419 -0.001465 27O 2s -0.010158 -0.009713 -0.022623 -0.007173 0.003541 -0.003878 27O 3s 0.018758 0.017867 0.044224 0.013088 -0.005825 0.011567 27O 4s 0.018709 0.013144 0.022365 0.006871 -0.007687 -0.018377 27O 5s 0.137979 0.132572 0.271886 0.125435 -0.176826 0.091756 27O 1pz 0.010937 -0.024215 0.006961 -0.013840 0.010226 -0.009589 27O 1px -0.010590 -0.014594 -0.009324 -0.011591 -0.017838 0.006840 27O 1py 0.002848 -0.011234 0.022885 0.022658 0.003882 -0.010663 27O 2pz 0.016691 -0.016783 0.010779 -0.010030 0.006961 -0.010855 27O 2px -0.013831 -0.015081 -0.012806 -0.014254 -0.000904 0.005457 27O 2py -0.003019 -0.010536 0.018864 0.020108 0.005144 -0.007241 27O 3pz -0.034194 -0.053720 -0.003889 -0.024446 0.014246 0.040265 27O 3px -0.031292 -0.067511 -0.032981 -0.043138 0.049855 -0.001016 27O 3py 0.059353 0.000098 0.038311 0.026765 -0.060126 -0.065475 27O 1dz2 -0.000386 0.000341 -0.000132 -0.000013 -0.000269 0.000005 27O 1dxz -0.000285 0.000444 0.000112 0.000154 -0.000389 0.000730 27O 1dyz 0.000016 -0.000067 0.000111 0.000127 0.000133 0.000005 27O 1dx2y2 0.000711 -0.000055 -0.000295 -0.000131 0.000255 -0.000392 27O 1dxy -0.000011 0.000101 -0.000388 -0.000221 -0.000468 -0.000970 27O 2dz2 -0.004318 -0.003491 -0.003468 -0.002692 0.005788 -0.001107 27O 2dxz 0.000981 -0.000174 -0.000647 0.000240 0.000686 -0.001123 27O 2dyz -0.001115 -0.001705 -0.003048 -0.001026 -0.002547 -0.000769 27O 2dx2y2 0.006025 0.004243 0.003227 0.002245 -0.006913 -0.000166 27O 2dxy -0.003659 -0.000813 -0.000854 -0.002227 0.002952 -0.001025 27O 1f0 -0.000076 -0.000060 -0.000111 -0.000086 0.000141 0.000025 27O 1f+1 0.000429 0.000375 0.000535 0.000358 -0.000255 -0.000051 27O 1f-1 -0.000061 0.000029 -0.000204 -0.000129 -0.000032 -0.000058 27O 1f+2 0.000172 0.000048 0.000247 0.000011 -0.000162 0.000018 27O 1f-2 0.000202 0.000277 0.000425 0.000151 0.000151 -0.000009 27O 1f+3 0.000471 0.000378 0.000336 0.000271 -0.000328 -0.000145 27O 1f-3 0.000022 -0.000179 -0.000134 -0.000335 0.000003 -0.000209 28O 1s -0.003544 -0.008465 0.004878 0.002858 -0.000793 -0.002690 28O 2s -0.008796 -0.020853 0.012033 0.006925 -0.002192 -0.006506 28O 3s 0.016473 0.037764 -0.021717 -0.010462 0.005463 0.011794 28O 4s 0.018381 0.038628 -0.023895 -0.022828 -0.006164 0.007357 28O 5s 0.104080 0.175719 -0.086665 -0.034575 0.277971 -0.049504 28O 1pz 0.002019 -0.021718 -0.010194 0.021399 -0.006485 -0.011919 28O 1px 0.013128 0.002506 -0.010961 -0.002889 -0.024026 0.010180 28O 1py 0.004294 0.008604 0.026169 0.014816 0.006571 0.008597 28O 2pz 0.001620 -0.022767 -0.002366 0.022318 -0.021778 0.005885 28O 2px 0.015607 0.002546 -0.010986 -0.001396 -0.003285 -0.008543 28O 2py 0.005737 0.004701 0.020585 0.016293 0.003407 0.012518 28O 3pz -0.022935 0.002798 -0.040872 -0.002557 -0.072537 -0.045456 28O 3px -0.004875 0.031483 -0.035298 -0.027837 0.032776 0.033596 28O 3py -0.009248 0.037958 0.028567 -0.009048 -0.017397 -0.023780 28O 1dz2 0.000016 0.000654 0.000234 -0.000354 0.000310 -0.000079 28O 1dxz -0.000703 -0.000125 0.000120 0.000237 0.000874 0.000403 28O 1dyz 0.000186 0.000033 -0.000262 -0.000161 0.000317 -0.000660 28O 1dx2y2 0.000709 -0.000240 0.000214 0.000110 -0.000343 -0.000410 28O 1dxy -0.000036 -0.000233 0.000481 0.000308 0.000326 0.000105 28O 2dz2 0.000694 -0.000390 -0.000273 -0.000130 0.001134 -0.002063 28O 2dxz -0.005283 -0.002473 0.001165 0.001810 -0.007614 0.002491 28O 2dyz 0.002107 0.003881 -0.002357 -0.001161 0.002697 -0.001945 28O 2dx2y2 0.003146 0.004131 -0.002852 -0.002414 0.004351 -0.001391 28O 2dxy -0.000973 0.002217 -0.001538 -0.000904 0.000002 0.000527 28O 1f0 0.000184 0.000129 -0.000194 -0.000108 0.000132 -0.000016 28O 1f+1 -0.000014 0.000151 -0.000089 -0.000215 -0.000002 -0.000129 28O 1f-1 -0.000095 -0.000221 0.000009 0.000052 -0.000073 0.000002 28O 1f+2 -0.000368 -0.000534 0.000243 0.000355 -0.000318 0.000065 28O 1f-2 0.000020 0.000258 -0.000220 -0.000144 0.000052 0.000085 28O 1f+3 -0.000331 -0.000350 0.000247 0.000195 -0.000220 0.000013 28O 1f-3 -0.000098 -0.000165 0.000068 0.000065 0.000059 -0.000013 29O 1s 0.018855 0.000066 -0.001865 -0.000425 -0.000987 0.003885 29O 2s 0.047452 0.000034 -0.004410 -0.001036 -0.002424 0.009833 29O 3s -0.102090 0.001910 0.005270 0.001640 0.003986 -0.021962 29O 4s -0.023816 -0.010740 0.022773 0.002612 0.005663 0.001432 29O 5s -0.550643 0.032947 -0.008872 0.011495 0.026439 -0.164465 29O 1pz 0.021918 -0.032466 -0.005901 0.022505 0.141507 -0.130047 29O 1px -0.046448 -0.009857 -0.003883 0.008240 0.049686 -0.054235 29O 1py 0.063882 -0.002457 0.011796 -0.002527 -0.014457 0.031279 29O 2pz 0.014749 -0.008193 -0.002979 0.008097 0.067869 -0.065245 29O 2px -0.031394 -0.003833 0.003665 0.004186 0.026639 -0.027031 29O 2py 0.039382 -0.001202 0.006333 -0.000612 -0.008881 0.017694 29O 3pz 0.044046 -0.090483 -0.015456 0.066714 0.345739 -0.315886 29O 3px -0.075810 -0.021212 -0.031635 0.021953 0.109855 -0.119737 29O 3py 0.141617 -0.012173 0.025433 -0.014483 -0.036950 0.082047 29O 1dz2 0.000935 0.000163 0.000090 0.000124 0.000478 -0.000354 29O 1dxz 0.000543 -0.000263 -0.000075 -0.000165 -0.000492 0.000372 29O 1dyz -0.000163 0.000115 -0.000124 0.000212 0.000552 -0.000628 29O 1dx2y2 0.000375 -0.000147 -0.000041 -0.000013 -0.000249 0.000541 29O 1dxy 0.000055 -0.000073 0.000236 0.000070 0.000323 -0.000165 29O 2dz2 0.006368 -0.001627 -0.000166 0.001554 0.010060 -0.007883 29O 2dxz 0.004524 0.001108 0.000137 -0.001129 -0.008972 0.009450 29O 2dyz -0.001066 -0.002872 -0.000690 0.002260 0.015065 -0.014336 29O 2dx2y2 0.000335 0.000020 0.000654 -0.000391 -0.002682 0.003588 29O 2dxy -0.002117 -0.001459 0.001584 0.000979 0.006409 -0.006830 29O 1f0 -0.000211 -0.000161 -0.000111 0.000096 0.000618 -0.000676 29O 1f+1 0.000102 -0.000213 -0.000004 0.000160 0.000715 -0.000616 29O 1f-1 -0.000182 0.000249 0.000054 -0.000221 -0.001261 0.001063 29O 1f+2 0.000010 -0.000128 -0.000047 0.000107 0.000773 -0.000735 29O 1f-2 -0.000188 -0.000241 -0.000033 0.000123 0.000995 -0.000986 29O 1f+3 -0.000146 0.000148 -0.000126 -0.000005 -0.000299 0.000189 29O 1f-3 -0.000053 0.000148 0.000030 -0.000046 -0.000533 0.000511 30O 1s -0.002359 -0.004680 -0.007349 -0.003441 -0.003110 -0.004656 30O 2s -0.005819 -0.011601 -0.018092 -0.008440 -0.008129 -0.011492 30O 3s 0.010009 0.022425 0.032227 0.014306 0.021317 0.022265 30O 4s 0.016946 0.013903 0.032782 0.019535 -0.022879 0.012296 30O 5s 0.077019 0.097856 0.214176 0.071124 0.307760 0.069414 30O 1pz 0.001163 -0.029692 0.002806 -0.015673 -0.014762 -0.008595 30O 1px 0.024115 -0.005507 0.012336 -0.008610 -0.025356 -0.003951 30O 1py 0.000850 -0.009927 0.022434 0.022383 -0.013143 -0.005065 30O 2pz -0.001312 -0.019611 -0.000431 -0.014368 -0.018394 -0.004272 30O 2px 0.026554 -0.004860 0.012230 -0.007081 -0.016155 -0.015075 30O 2py 0.001608 -0.009462 0.023980 0.024795 -0.006526 -0.011016 30O 3pz 0.000603 -0.054220 -0.012528 -0.016203 -0.029878 -0.010062 30O 3px 0.009242 -0.003440 0.067895 0.017645 0.051096 0.039867 30O 3py 0.014065 -0.020912 0.028317 0.002422 0.017921 0.007942 30O 1dz2 -0.000211 0.000547 0.000001 0.000030 0.000744 0.000439 30O 1dxz -0.000844 -0.000129 0.000084 0.000071 0.000620 0.000639 30O 1dyz -0.000489 -0.000322 0.000017 -0.000128 -0.000113 0.000661 30O 1dx2y2 0.000390 -0.000112 -0.000659 -0.000496 -0.000816 -0.000404 30O 1dxy 0.000605 -0.000087 0.000115 0.000082 -0.000884 -0.000347 30O 2dz2 -0.001139 -0.001405 -0.002917 -0.000654 -0.002463 0.000787 30O 2dxz -0.004839 -0.000784 -0.004724 -0.001912 -0.001322 0.002874 30O 2dyz -0.004402 -0.001509 -0.005999 -0.002443 -0.002280 0.001903 30O 2dx2y2 0.002093 0.000482 0.003224 0.000856 -0.002289 -0.000709 30O 2dxy 0.003734 -0.001164 0.001387 0.000540 0.000189 -0.002837 30O 1f0 0.000387 0.000221 0.000515 0.000208 -0.000009 -0.000192 30O 1f+1 0.000013 -0.000100 -0.000117 -0.000044 -0.000174 -0.000281 30O 1f-1 0.000101 0.000198 0.000093 0.000054 -0.000028 -0.000112 30O 1f+2 -0.000214 -0.000083 -0.000221 -0.000089 0.000060 -0.000102 30O 1f-2 -0.000481 -0.000150 -0.000737 -0.000358 0.000048 0.000227 30O 1f+3 -0.000112 -0.000074 -0.000134 0.000013 0.000126 -0.000113 30O 1f-3 -0.000240 -0.000001 -0.000249 -0.000122 0.000069 -0.000027 31O 1s -0.002329 0.004701 0.007412 -0.003407 -0.003110 0.004841 31O 2s -0.005746 0.011652 0.018247 -0.008351 -0.008126 0.011959 31O 3s 0.009883 -0.022484 -0.032525 0.014079 0.021292 -0.023279 31O 4s 0.016796 -0.014201 -0.033148 0.019775 -0.022795 -0.012127 31O 5s 0.076729 -0.098087 -0.213511 0.069002 0.307328 -0.080441 31O 1pz -0.000934 -0.029581 0.002781 0.015449 0.014307 -0.008360 31O 1px -0.023988 -0.005580 0.012483 0.008508 0.025203 -0.004746 31O 1py -0.000487 -0.009850 0.022368 -0.022412 0.012523 -0.004870 31O 2pz 0.001539 -0.019683 -0.000455 0.014267 0.017926 -0.004121 31O 2px -0.026430 -0.004911 0.012309 0.007048 0.016012 -0.015575 31O 2py -0.001347 -0.009288 0.023872 -0.024808 0.005820 -0.010657 31O 3pz -0.000471 -0.053656 -0.011647 0.015579 0.030396 -0.011316 31O 3px -0.009422 -0.003303 0.067504 -0.018095 -0.051210 0.042081 31O 3py -0.013459 -0.021421 0.027547 -0.002491 -0.017402 0.008626 31O 1dz2 -0.000212 -0.000549 -0.000001 0.000032 0.000734 -0.000461 31O 1dxz -0.000843 0.000125 -0.000076 0.000073 0.000631 -0.000668 31O 1dyz -0.000489 0.000325 -0.000006 -0.000128 -0.000118 -0.000673 31O 1dx2y2 0.000391 0.000113 0.000658 -0.000495 -0.000821 0.000431 31O 1dxy 0.000603 0.000088 -0.000123 0.000081 -0.000870 0.000358 31O 2dz2 -0.001150 0.001442 0.002930 -0.000661 -0.002485 -0.000717 31O 2dxz -0.004821 0.000765 0.004704 -0.001900 -0.001299 -0.002832 31O 2dyz -0.004366 0.001508 0.006000 -0.002450 -0.002314 -0.001812 31O 2dx2y2 0.002090 -0.000463 -0.003240 0.000871 -0.002270 0.000747 31O 2dxy 0.003744 0.001146 -0.001368 0.000553 0.000243 0.002741 31O 1f0 -0.000384 0.000220 0.000515 -0.000205 0.000006 -0.000194 31O 1f+1 -0.000011 -0.000102 -0.000118 0.000042 0.000168 -0.000278 31O 1f-1 -0.000100 0.000196 0.000092 -0.000053 0.000024 -0.000112 31O 1f+2 0.000211 -0.000083 -0.000224 0.000091 -0.000059 -0.000110 31O 1f-2 0.000476 -0.000150 -0.000737 0.000358 -0.000046 0.000226 31O 1f+3 0.000108 -0.000072 -0.000137 -0.000013 -0.000122 -0.000116 31O 1f-3 0.000239 -0.000004 -0.000250 0.000123 -0.000070 -0.000027 32O 1s 0.018914 -0.000012 0.001738 -0.000427 -0.001049 -0.003918 32O 2s 0.047597 0.000097 0.004088 -0.001039 -0.002581 -0.009918 32O 3s -0.102328 -0.002108 -0.004548 0.001615 0.004328 0.022167 32O 4s -0.024206 0.010287 -0.022757 0.002851 0.005775 -0.001389 32O 5s -0.551695 -0.033505 0.013140 0.010497 0.028265 0.165082 32O 1pz -0.020514 -0.032630 -0.005314 -0.022844 -0.144768 -0.127440 32O 1px 0.046975 -0.009715 -0.004093 -0.008188 -0.050156 -0.052671 32O 1py -0.064079 -0.003059 0.012133 0.001993 0.011373 0.027850 32O 2pz -0.013879 -0.008275 -0.002837 -0.008209 -0.069549 -0.064003 32O 2px 0.031816 -0.003673 0.003470 -0.004143 -0.026789 -0.026197 32O 2py -0.039618 -0.001275 0.006605 0.000460 0.007514 0.016052 32O 3pz -0.041065 -0.090595 -0.013865 -0.067787 -0.353630 -0.309481 32O 3px 0.077098 -0.021143 -0.031891 -0.021787 -0.111218 -0.115969 32O 3py -0.142149 -0.014084 0.025965 0.012444 0.029135 0.073475 32O 1dz2 0.000956 -0.000156 -0.000096 0.000116 0.000462 0.000314 32O 1dxz 0.000539 0.000266 0.000068 -0.000166 -0.000522 -0.000376 32O 1dyz -0.000116 -0.000115 0.000125 0.000215 0.000570 0.000606 32O 1dx2y2 0.000373 0.000147 0.000035 -0.000017 -0.000278 -0.000556 32O 1dxy 0.000070 0.000074 -0.000236 0.000061 0.000312 0.000131 32O 2dz2 0.006430 0.001514 0.000060 0.001475 0.009546 0.006989 32O 2dxz 0.004491 -0.001185 -0.000122 -0.001204 -0.009520 -0.009571 32O 2dyz -0.000741 0.002966 0.000623 0.002326 0.015654 0.014154 32O 2dx2y2 0.000361 -0.000114 -0.000644 -0.000439 -0.003153 -0.003891 32O 2dxy -0.001952 0.001399 -0.001615 0.000960 0.006220 0.006372 32O 1f0 0.000191 -0.000180 -0.000112 -0.000115 -0.000713 -0.000726 32O 1f+1 -0.000114 -0.000205 0.000004 -0.000155 -0.000698 -0.000566 32O 1f-1 0.000190 0.000234 0.000039 0.000210 0.001206 0.000959 32O 1f+2 -0.000016 -0.000129 -0.000043 -0.000110 -0.000795 -0.000717 32O 1f-2 0.000174 -0.000259 -0.000027 -0.000138 -0.001079 -0.001015 32O 1f+3 0.000155 0.000135 -0.000131 0.000001 0.000261 0.000141 32O 1f-3 0.000061 0.000156 0.000025 0.000051 0.000571 0.000521 33O 1s -0.003628 0.008459 -0.004826 0.002884 -0.000668 0.002634 33O 2s -0.009003 0.020840 -0.011903 0.006985 -0.001889 0.006366 33O 3s 0.016844 -0.037772 0.021426 -0.010530 0.004917 -0.011483 33O 4s 0.018832 -0.038505 0.023952 -0.023238 -0.006663 -0.007469 33O 5s 0.105506 -0.174777 0.084434 -0.033332 0.278457 0.050994 33O 1pz -0.002106 -0.021506 -0.010208 -0.021472 0.006077 -0.011846 33O 1px -0.013009 0.002590 -0.010926 0.002799 0.023972 0.010114 33O 1py -0.004107 0.008513 0.026365 -0.014695 -0.006503 0.008661 33O 2pz -0.001614 -0.022580 -0.002267 -0.022430 0.021694 0.005771 33O 2px -0.015551 0.002645 -0.010882 0.001352 0.002735 -0.008409 33O 2py -0.005519 0.004543 0.020858 -0.016355 -0.003162 0.012693 33O 3pz 0.022400 0.003621 -0.041964 0.003171 0.071417 -0.045902 33O 3px 0.004431 0.031203 -0.035434 0.027727 -0.031413 0.032288 33O 3py 0.009136 0.038460 0.028031 0.010334 0.017132 -0.024355 33O 1dz2 0.000018 -0.000651 -0.000233 -0.000355 0.000308 0.000079 33O 1dxz -0.000704 0.000130 -0.000120 0.000239 0.000858 -0.000408 33O 1dyz 0.000191 -0.000037 0.000266 -0.000163 0.000331 0.000657 33O 1dx2y2 0.000699 0.000246 -0.000222 0.000116 -0.000324 0.000387 33O 1dxy -0.000039 0.000231 -0.000484 0.000312 0.000337 -0.000105 33O 2dz2 0.000696 0.000396 0.000269 -0.000120 0.001126 0.002035 33O 2dxz -0.005280 0.002451 -0.001102 0.001817 -0.007682 -0.002410 33O 2dyz 0.002129 -0.003844 0.002327 -0.001165 0.002770 0.001995 33O 2dx2y2 0.003158 -0.004119 0.002826 -0.002412 0.004409 0.001298 33O 2dxy -0.000926 -0.002265 0.001583 -0.000952 -0.000057 -0.000497 33O 1f0 -0.000186 0.000131 -0.000194 0.000109 -0.000135 -0.000017 33O 1f+1 0.000014 0.000151 -0.000089 0.000214 -0.000003 -0.000130 33O 1f-1 0.000095 -0.000219 0.000007 -0.000050 0.000074 0.000001 33O 1f+2 0.000369 -0.000531 0.000239 -0.000355 0.000320 0.000059 33O 1f-2 -0.000021 0.000255 -0.000220 0.000143 -0.000051 0.000081 33O 1f+3 0.000332 -0.000348 0.000244 -0.000194 0.000221 0.000006 33O 1f-3 0.000101 -0.000167 0.000068 -0.000065 -0.000058 -0.000012 34O 1s -0.004043 0.003937 0.009152 -0.002883 0.001367 0.001402 34O 2s -0.010016 0.009735 0.022771 -0.007135 0.003413 0.003724 34O 3s 0.018501 -0.017868 -0.044512 0.013044 -0.005594 -0.011363 34O 4s 0.018417 -0.013372 -0.022526 0.006671 -0.007502 0.019076 34O 5s 0.137262 -0.132718 -0.272828 0.125524 -0.173419 -0.087565 34O 1pz -0.010564 -0.024140 0.006977 0.013747 -0.010183 -0.009000 34O 1px 0.010580 -0.014592 -0.009464 0.011453 0.017658 0.006430 34O 1py -0.002572 -0.011167 0.022853 -0.022660 -0.003661 -0.010735 34O 2pz -0.016321 -0.016781 0.010885 0.009962 -0.006905 -0.010485 34O 2px 0.013788 -0.015225 -0.012929 0.014087 0.000868 0.005555 34O 2py 0.003273 -0.010430 0.018642 -0.019979 -0.005104 -0.007267 34O 3pz 0.034449 -0.053323 -0.004517 0.024303 -0.014525 0.041904 34O 3px 0.031480 -0.067131 -0.032941 0.042958 -0.048881 0.000636 34O 3py -0.059273 -0.000035 0.039454 -0.027579 0.060803 -0.068027 34O 1dz2 -0.000383 -0.000341 0.000133 -0.000014 -0.000263 0.000005 34O 1dxz -0.000287 -0.000443 -0.000110 0.000156 -0.000382 -0.000729 34O 1dyz 0.000016 0.000065 -0.000112 0.000124 0.000136 -0.000013 34O 1dx2y2 0.000710 0.000053 0.000285 -0.000129 0.000246 0.000372 34O 1dxy -0.000006 -0.000100 0.000385 -0.000219 -0.000461 0.000991 34O 2dz2 -0.004303 0.003486 0.003492 -0.002664 0.005735 0.000941 34O 2dxz 0.000984 0.000187 0.000643 0.000253 0.000708 0.001089 34O 2dyz -0.001086 0.001714 0.003050 -0.001013 -0.002559 0.000808 34O 2dx2y2 0.005989 -0.004229 -0.003245 0.002213 -0.006893 0.000331 34O 2dxy -0.003691 0.000846 0.000915 -0.002235 0.002962 0.000953 34O 1f0 0.000077 -0.000063 -0.000112 0.000084 -0.000139 0.000033 34O 1f+1 -0.000424 0.000374 0.000539 -0.000356 0.000254 -0.000055 34O 1f-1 0.000059 0.000027 -0.000206 0.000129 0.000033 -0.000060 34O 1f+2 -0.000173 0.000048 0.000249 -0.000010 0.000164 0.000007 34O 1f-2 -0.000198 0.000275 0.000427 -0.000151 -0.000150 -0.000004 34O 1f+3 -0.000467 0.000378 0.000340 -0.000266 0.000327 -0.000152 34O 1f-3 -0.000022 -0.000183 -0.000136 0.000334 -0.000004 -0.000211 35O 1s -0.002407 0.008441 -0.003250 0.003718 0.004830 0.002950 35O 2s -0.005890 0.021023 -0.008062 0.009223 0.012418 0.007722 35O 3s 0.009399 -0.041607 0.015469 -0.017310 -0.030285 -0.021074 35O 4s 0.017846 -0.016203 0.005466 -0.006978 0.019886 0.023104 35O 5s 0.098211 -0.272104 0.151999 -0.176335 -0.329853 -0.173548 35O 1pz -0.010587 -0.021023 -0.008139 -0.024626 -0.005048 -0.010587 35O 1px 0.021817 -0.016615 0.001895 -0.004289 0.031948 0.028157 35O 1py -0.000177 0.000254 0.030003 -0.016496 0.005697 0.007510 35O 2pz -0.014154 -0.013578 -0.012466 -0.019132 -0.002436 -0.009481 35O 2px 0.027439 -0.017343 0.001638 -0.008830 0.021658 0.022108 35O 2py -0.000390 0.002952 0.020582 -0.012754 0.007885 0.007635 35O 3pz 0.031508 -0.056840 0.032417 -0.048928 0.006712 0.051670 35O 3px 0.025277 -0.051081 0.042361 -0.047344 -0.051966 -0.013388 35O 3py 0.033237 -0.030401 0.098871 -0.055448 -0.042126 0.020250 35O 1dz2 -0.000614 -0.000211 -0.000100 -0.000098 -0.000584 -0.000394 35O 1dxz -0.000198 -0.000430 -0.000141 -0.000289 -0.000896 -0.001416 35O 1dyz -0.000174 -0.000004 0.000218 0.000033 -0.000052 -0.000385 35O 1dx2y2 0.000800 0.000154 -0.000472 0.000153 0.000872 0.000948 35O 1dxy 0.000531 0.000038 0.000135 0.000137 0.000552 -0.000131 35O 2dz2 -0.003709 0.000821 -0.001795 0.001704 0.002495 -0.000243 35O 2dxz 0.000995 0.000066 -0.000174 -0.001890 -0.002640 -0.001371 35O 2dyz 0.001745 -0.002706 0.000771 -0.001799 -0.000179 -0.001089 35O 2dx2y2 0.005181 -0.003230 0.002627 -0.002240 -0.002094 -0.000585 35O 2dxy 0.006722 -0.003639 0.003815 -0.004093 -0.001809 -0.001094 35O 1f0 0.000002 -0.000065 -0.000106 0.000089 -0.000070 0.000012 35O 1f+1 -0.000394 0.000140 -0.000184 0.000189 0.000021 -0.000138 35O 1f-1 -0.000155 0.000037 -0.000060 0.000169 0.000053 0.000043 35O 1f+2 -0.000162 0.000269 -0.000294 0.000017 -0.000032 -0.000085 35O 1f-2 0.000130 -0.000341 0.000200 -0.000235 0.000147 0.000034 35O 1f+3 -0.000256 0.000320 -0.000109 0.000179 0.000117 -0.000064 35O 1f-3 -0.000651 0.000590 -0.000456 0.000481 -0.000172 -0.000073 132 133 134 135 136 137 0.11074 0.11219 0.11806 0.11881 0.12134 0.12346 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s 0.005671 -0.000829 0.001706 -0.000840 -0.001262 0.001469 0Rh 2s -0.021168 0.004091 -0.005926 0.003207 0.004602 -0.004990 0Rh 3s 0.019828 -0.002279 0.006243 -0.002892 -0.004481 0.005446 0Rh 4s 0.092190 -0.018336 0.025639 -0.014014 -0.020013 0.021488 0Rh 5s -0.070608 0.022648 -0.016235 0.011328 0.014547 -0.011935 0Rh 6s -0.169701 0.000905 -0.060383 0.023988 0.039843 -0.057965 0Rh 7s -0.166741 -0.228848 0.114254 0.014679 -0.108809 -0.215615 0Rh 8s 0.778148 2.219675 0.038518 -0.160775 0.148657 2.122494 0Rh 1pz -0.005352 -0.001082 -0.004453 -0.001133 0.001125 0.000425 0Rh 1px 0.014741 0.003033 0.005144 0.001230 -0.004143 -0.001314 0Rh 1py 0.002563 -0.000155 0.001320 0.000906 0.001343 -0.001974 0Rh 2pz 0.018341 0.003735 0.015290 0.003897 -0.003890 -0.001457 0Rh 2px -0.050493 -0.010577 -0.017689 -0.004225 0.014162 0.004345 0Rh 2py -0.008805 0.000471 -0.004545 -0.003062 -0.004638 0.006743 0Rh 3pz -0.016354 -0.003856 -0.014149 -0.003781 0.004118 0.001337 0Rh 3px 0.044559 0.012849 0.016923 0.003981 -0.011876 -0.000919 0Rh 3py 0.008226 0.000741 0.004445 0.001902 0.004703 -0.005579 0Rh 4pz -0.022139 -0.002271 -0.016623 -0.003252 0.002332 0.001360 0Rh 4px 0.062738 -0.000226 0.016861 0.004196 -0.019903 -0.016390 0Rh 4py 0.009344 -0.004900 0.004085 0.007043 0.003856 -0.009460 0Rh 5pz -0.005485 -0.008131 -0.008704 -0.005890 0.006293 0.001547 0Rh 5px 0.013359 0.031794 0.016445 0.004253 0.000242 0.020554 0Rh 5py 0.004392 0.007937 0.004420 -0.005272 0.001708 -0.002198 0Rh 6pz -0.003081 0.207451 0.108228 0.030523 -0.042030 0.128530 0Rh 6px -0.157082 -0.615562 -0.170717 -0.106169 0.059273 -0.252510 0Rh 6py -0.046000 -0.101076 -0.030110 -0.039677 -0.020960 -0.019118 0Rh 1dz2 -0.016866 -0.000285 -0.006410 -0.002534 0.003680 0.001926 0Rh 1dxz -0.019570 0.001165 -0.001005 -0.000831 0.004050 0.004946 0Rh 1dyz -0.005403 0.003125 -0.000335 -0.008750 0.000589 -0.000528 0Rh 1dx2y2 0.029824 -0.001124 0.007955 0.000672 -0.005057 -0.002681 0Rh 1dxy 0.011504 0.000469 0.001977 -0.002281 -0.005334 -0.004148 0Rh 2dz2 0.000766 0.000234 0.000287 0.000099 -0.000149 -0.000221 0Rh 2dxz 0.000865 0.000005 0.000065 0.000025 -0.000229 -0.000158 0Rh 2dyz 0.000158 -0.000166 0.000013 0.000527 -0.000191 0.000092 0Rh 2dx2y2 -0.001368 -0.000197 -0.000296 -0.000009 0.000064 -0.000111 0Rh 2dxy -0.000453 -0.000026 -0.000139 -0.000100 0.000416 0.000272 0Rh 3dz2 0.026011 -0.000437 0.009912 0.003933 -0.005778 -0.002457 0Rh 3dxz 0.030353 -0.002008 0.001487 0.001328 -0.006096 -0.007947 0Rh 3dyz 0.008610 -0.004731 0.000499 0.012927 -0.000248 0.000560 0Rh 3dx2y2 -0.045925 0.002694 -0.012530 -0.001133 0.008479 0.005128 0Rh 3dxy -0.018075 -0.000712 -0.002869 0.004294 0.007546 0.006127 0Rh 4dz2 0.033386 0.003341 0.012817 0.004791 -0.006927 -0.005442 0Rh 4dxz 0.038274 -0.001838 0.002006 0.001568 -0.008590 -0.009288 0Rh 4dyz 0.009742 -0.006121 0.000892 0.018876 -0.003064 0.001838 0Rh 4dx2y2 -0.059311 -0.000375 -0.015045 -0.001161 0.007988 0.002612 0Rh 4dxy -0.021753 -0.000773 -0.004297 0.002146 0.013089 0.009301 0Rh 5dz2 0.020306 -0.013334 0.008418 0.004292 -0.006172 0.003959 0Rh 5dxz 0.028274 -0.001755 0.005784 0.001273 -0.002150 -0.006662 0Rh 5dyz 0.009346 -0.008556 -0.002563 0.006172 0.006683 -0.004300 0Rh 5dx2y2 -0.039096 0.010775 -0.018040 0.000190 0.014350 0.012202 0Rh 5dxy -0.020276 -0.002979 -0.004395 0.014040 -0.007263 0.000732 0Rh 1f0 0.000156 0.000444 0.000546 -0.000291 -0.000449 -0.000773 0Rh 1f+1 0.000020 -0.000558 -0.000251 -0.001194 0.000888 0.000460 0Rh 1f-1 -0.000181 -0.000817 0.000107 -0.001228 -0.001064 -0.000253 0Rh 1f+2 -0.000313 0.000391 -0.001347 0.000761 0.000445 -0.000732 0Rh 1f-2 -0.000150 -0.000315 -0.000447 -0.001144 -0.000489 -0.001556 0Rh 1f+3 -0.000052 -0.000604 0.000140 -0.000520 -0.000151 0.002329 0Rh 1f-3 -0.000082 -0.000584 0.000052 -0.000090 -0.000609 -0.001320 1Rh 1s 0.005631 0.001022 0.001689 0.000907 -0.001198 -0.001563 1Rh 2s -0.020978 -0.004813 -0.005876 -0.003444 0.004375 0.005326 1Rh 3s 0.019711 0.002956 0.006176 0.003136 -0.004250 -0.005783 1Rh 4s 0.091345 0.021477 0.025427 0.015037 -0.019032 -0.022949 1Rh 5s -0.069625 -0.025044 -0.016185 -0.012001 0.013908 0.012958 1Rh 6s -0.169430 -0.006728 -0.059545 -0.026306 0.037558 0.061023 1Rh 7s -0.174368 0.224278 0.118594 -0.012264 -0.115057 0.206391 1Rh 8s 0.857822 -2.195785 -0.005902 0.165842 0.212480 -2.110987 1Rh 1pz 0.005389 -0.000897 0.004457 -0.000968 -0.001110 0.000392 1Rh 1px -0.014853 0.002546 -0.005142 0.001065 0.004226 -0.001027 1Rh 1py -0.002571 -0.000236 -0.001347 0.000818 -0.001273 -0.002006 1Rh 2pz -0.018472 0.003102 -0.015304 0.003331 0.003840 -0.001340 1Rh 2px 0.050884 -0.008910 0.017682 -0.003659 -0.014442 0.003362 1Rh 2py 0.008836 0.000747 0.004637 -0.002761 0.004398 0.006851 1Rh 3pz 0.016506 -0.003317 0.014152 -0.003271 -0.004080 0.001176 1Rh 3px -0.045031 0.011409 -0.016866 0.003467 0.012046 -0.000081 1Rh 3py -0.008303 0.000501 -0.004477 0.001618 -0.004500 -0.005693 1Rh 4pz 0.022157 -0.001418 0.016669 -0.002583 -0.002237 0.001429 1Rh 4px -0.062743 -0.002413 -0.017042 0.003553 0.020539 -0.015067 1Rh 4py -0.009201 -0.005256 -0.004397 0.006730 -0.003533 -0.009541 1Rh 5pz 0.005896 -0.008069 0.008672 -0.005723 -0.006336 0.001046 1Rh 5px -0.014512 0.031606 -0.016057 0.003924 -0.000671 0.020702 1Rh 5py -0.004748 0.007833 -0.004052 -0.005447 -0.001600 -0.002203 1Rh 6pz -0.006030 0.209643 -0.104987 0.028281 0.038295 0.133070 1Rh 6px 0.179751 -0.610973 0.163771 -0.102132 -0.055913 -0.257898 1Rh 6py 0.051663 -0.100842 0.029632 -0.038210 0.020979 -0.018959 1Rh 1dz2 -0.016869 -0.000371 -0.006444 0.002293 0.003724 -0.001761 1Rh 1dxz -0.019517 -0.001838 -0.001061 0.000762 0.004296 -0.004592 1Rh 1dyz -0.005394 -0.003244 -0.000483 0.008737 0.000122 0.000545 1Rh 1dx2y2 0.029776 0.002149 0.008058 -0.000287 -0.005062 0.002367 1Rh 1dxy 0.011470 -0.000072 0.001926 0.002303 -0.005577 0.003882 1Rh 2dz2 0.000774 -0.000208 0.000289 -0.000086 -0.000165 0.000213 1Rh 2dxz 0.000864 0.000025 0.000069 -0.000027 -0.000241 0.000138 1Rh 2dyz 0.000157 0.000175 0.000020 -0.000525 -0.000160 -0.000103 1Rh 2dx2y2 -0.001374 0.000152 -0.000292 -0.000009 0.000054 0.000116 1Rh 2dxy -0.000453 0.000007 -0.000140 0.000097 0.000431 -0.000253 1Rh 3dz2 0.025983 0.001464 0.009960 -0.003570 -0.005794 0.002204 1Rh 3dxz 0.030267 0.003050 0.001568 -0.001199 -0.006470 0.007410 1Rh 3dyz 0.008597 0.004899 0.000721 -0.012914 0.000432 -0.000544 1Rh 3dx2y2 -0.045820 -0.004284 -0.012729 0.000540 0.008531 -0.004607 1Rh 3dxy -0.018019 0.000104 -0.002773 -0.004319 0.007907 -0.005742 1Rh 4dz2 0.033497 -0.002089 0.012892 -0.004277 -0.007187 0.005112 1Rh 4dxz 0.038175 0.003162 0.002138 -0.001502 -0.009112 0.008545 1Rh 4dyz 0.009740 0.006402 0.001200 -0.018822 -0.002030 -0.001993 1Rh 4dx2y2 -0.059304 -0.001623 -0.015141 0.000395 0.007876 -0.002101 1Rh 4dxy -0.021682 -0.000029 -0.004240 -0.002205 0.013613 -0.008682 1Rh 5dz2 0.019803 0.014241 0.008422 -0.004216 -0.005417 -0.004133 1Rh 5dxz 0.028245 0.002609 0.005769 -0.000732 -0.002190 0.006445 1Rh 5dyz 0.009110 0.008363 -0.002500 -0.006433 0.006953 0.004827 1Rh 5dx2y2 -0.038701 -0.012285 -0.018575 -0.000817 0.014790 -0.011406 1Rh 5dxy -0.020333 0.002566 -0.004137 -0.014170 -0.007099 -0.000881 1Rh 1f0 -0.000160 0.000416 -0.000506 -0.000271 0.000462 -0.000757 1Rh 1f+1 0.000006 -0.000533 0.000268 -0.001217 -0.000891 0.000406 1Rh 1f-1 0.000201 -0.000801 -0.000079 -0.001230 0.001075 -0.000197 1Rh 1f+2 0.000311 0.000400 0.001321 0.000806 -0.000465 -0.000756 1Rh 1f-2 0.000180 -0.000328 0.000490 -0.001103 0.000555 -0.001539 1Rh 1f+3 0.000074 -0.000632 -0.000126 -0.000510 0.000085 0.002341 1Rh 1f-3 0.000100 -0.000600 -0.000029 -0.000083 0.000627 -0.001284 2C 1s -0.009549 0.006992 0.006346 0.007622 0.002341 0.000252 2C 2s -0.022075 0.015310 0.014342 0.017412 0.005099 0.000331 2C 3s 0.083410 -0.030288 -0.037766 -0.053349 -0.010345 0.004905 2C 4s -0.216387 -0.026236 0.022234 0.080023 0.000145 -0.027147 2C 5s 2.440423 -0.809193 -0.886784 -1.172853 -0.337198 0.010429 2C 1pz -0.053728 0.020154 0.066195 0.082511 -0.053703 0.042674 2C 1px -0.020133 -0.033108 -0.082786 -0.099169 0.071638 0.031235 2C 1py -0.028853 0.015076 -0.009779 -0.007116 0.062345 -0.099722 2C 2pz -0.011475 0.001975 0.010808 0.021369 -0.007108 0.019425 2C 2px -0.006015 -0.022173 -0.021312 -0.022558 0.020325 0.001061 2C 2py -0.008842 -0.001809 -0.009048 -0.004312 0.016930 -0.024691 2C 3pz 0.214900 -0.189685 0.186097 0.248491 -0.482707 0.177416 2C 3px -0.030730 0.026136 -0.706581 -0.842713 0.458701 0.469922 2C 3py 0.245928 -0.035154 -0.182789 -0.265129 0.311124 -0.622854 2C 1dz2 -0.001616 0.002251 0.002208 0.002473 -0.000398 0.000895 2C 1dxz -0.002484 -0.001695 -0.005980 -0.006325 0.003819 0.006363 2C 1dyz -0.002599 0.001597 0.005547 0.007303 -0.001732 -0.001393 2C 1dx2y2 0.001493 -0.000890 0.006720 0.007590 -0.006789 -0.001430 2C 1dxy -0.000270 -0.000964 -0.003145 -0.003804 0.006061 -0.005093 2C 2dz2 0.026141 -0.018448 -0.012463 -0.015499 -0.010038 0.011403 2C 2dxz 0.015921 -0.020022 -0.031160 -0.042049 0.007040 0.042384 2C 2dyz 0.042500 -0.009123 -0.008772 -0.012119 -0.024311 0.006225 2C 2dx2y2 -0.012587 0.018631 0.047135 0.055368 -0.039448 0.015094 2C 2dxy 0.012157 0.002063 -0.029067 -0.032171 0.035589 -0.036797 2C 1f0 -0.001972 0.001117 0.004894 0.005627 -0.005403 0.003918 2C 1f+1 0.000901 0.000286 -0.001030 -0.000752 0.000794 -0.002957 2C 1f-1 0.000301 -0.001585 -0.003181 -0.003875 0.002223 -0.000542 2C 1f+2 0.004203 -0.002103 -0.003476 -0.005156 0.002013 0.001112 2C 1f-2 -0.004998 0.000103 0.001027 0.001530 0.000223 0.002276 2C 1f+3 0.006356 -0.002724 -0.002068 -0.003290 -0.003098 0.004833 2C 1f-3 0.001498 0.001192 0.001507 0.002230 -0.002356 -0.001320 3C 1s -0.010805 0.003206 0.003743 -0.001109 -0.000963 -0.008233 3C 2s -0.024827 0.007056 0.008391 -0.002394 -0.002009 -0.018910 3C 3s 0.088612 -0.013149 -0.022348 0.002722 -0.001533 0.062752 3C 4s -0.211956 -0.025260 0.002198 0.026304 0.034529 -0.133748 3C 5s 2.610101 -0.417982 -0.274333 0.120428 -0.048344 1.291900 3C 1pz -0.010913 0.052692 0.096868 -0.092893 0.016694 -0.002895 3C 1px -0.047805 -0.112781 -0.055478 0.034554 -0.130337 0.018849 3C 1py 0.049595 -0.036086 -0.003687 -0.018909 -0.062685 0.051713 3C 2pz -0.002912 -0.003011 0.012865 -0.006612 0.005503 -0.015246 3C 2px -0.008781 -0.032047 -0.017101 0.009291 -0.031835 -0.010353 3C 2py 0.012545 0.006277 0.003767 -0.026460 -0.024805 0.036044 3C 3pz 0.350913 0.234713 0.656554 -0.610946 0.190815 0.069693 3C 3px -0.090191 -0.580161 -0.454083 0.313679 -0.932987 0.608152 3C 3py -0.321820 -0.068983 0.060658 -0.149371 -0.402026 -0.033527 3C 1dz2 0.000623 0.001646 -0.000812 0.001440 0.002398 0.000342 3C 1dxz -0.003645 -0.008108 -0.006698 0.003420 -0.012642 0.005155 3C 1dyz 0.001368 -0.005342 -0.007188 0.004545 -0.003888 0.006473 3C 1dx2y2 0.003110 -0.000313 0.002844 -0.003572 -0.000512 0.002872 3C 1dxy 0.002812 0.002984 0.003698 -0.002650 0.001222 0.003209 3C 2dz2 -0.009226 0.007964 -0.004237 0.005533 0.018225 -0.014329 3C 2dxz 0.002143 -0.067856 -0.032275 0.016369 -0.072165 0.027300 3C 2dyz -0.047229 -0.018328 -0.017449 0.025190 -0.018135 -0.031739 3C 2dx2y2 -0.025771 0.019097 0.039301 -0.041267 -0.014347 -0.000648 3C 2dxy -0.023842 0.013592 0.031758 -0.030116 0.002904 -0.018374 3C 1f0 -0.003833 0.001727 0.005046 -0.005213 -0.001587 -0.001317 3C 1f+1 0.000018 0.005397 0.003710 -0.003322 0.004343 -0.000405 3C 1f-1 -0.003747 0.001752 -0.000347 0.001765 0.002653 -0.003664 3C 1f+2 0.007058 0.000948 -0.001037 -0.000482 0.000771 0.003980 3C 1f-2 0.003296 -0.002706 -0.002048 0.001340 -0.002646 0.001982 3C 1f+3 0.000785 -0.003801 -0.000606 -0.000985 -0.004972 0.003388 3C 1f-3 -0.003044 -0.005157 -0.002582 0.002441 -0.005372 -0.001097 4C 1s 0.003894 0.000801 0.001602 -0.000245 -0.002354 0.000594 4C 2s 0.008817 0.001969 0.004397 0.000070 -0.005090 0.001013 4C 3s -0.015381 -0.015186 -0.026208 -0.012088 0.008034 0.001045 4C 4s -0.097198 0.063410 0.107629 0.108157 0.023445 -0.047170 4C 5s -0.910108 0.317151 -0.166768 -0.037338 -0.034266 0.268096 4C 1pz 0.020153 -0.013179 -0.008829 -0.007535 -0.002298 -0.024395 4C 1px 0.000786 -0.019170 -0.022650 -0.024129 0.016214 0.000232 4C 1py 0.004571 -0.012646 -0.021718 -0.022740 -0.012862 0.024557 4C 2pz 0.075168 -0.048316 -0.052176 -0.072869 -0.014166 0.007876 4C 2px -0.003796 -0.015894 -0.019716 0.000215 -0.002650 0.017698 4C 2py 0.037442 -0.015341 -0.053511 -0.072561 -0.014359 0.008884 4C 3pz 0.419389 -0.085432 -0.248846 -0.245940 -0.099271 -0.195341 4C 3px -0.015795 -0.330117 0.066237 0.174945 -0.088623 -0.306290 4C 3py 0.208723 -0.249484 -0.101639 0.010107 -0.258985 0.172467 4C 1dz2 -0.001963 -0.000835 -0.002886 -0.002182 0.003746 -0.002077 4C 1dxz -0.000130 0.001377 0.002229 0.003730 -0.003449 -0.000870 4C 1dyz -0.004610 0.000796 0.003721 0.004867 -0.000400 -0.000102 4C 1dx2y2 0.000246 0.000976 0.004354 0.003830 -0.000517 -0.002026 4C 1dxy -0.001271 0.002105 0.005409 0.005730 -0.001680 -0.003332 4C 2dz2 -0.011923 -0.006866 0.004742 -0.003559 0.012917 -0.014256 4C 2dxz -0.003717 0.009328 0.017650 0.026220 -0.012729 -0.009636 4C 2dyz -0.018158 0.002236 0.013938 0.016629 -0.004016 -0.015865 4C 2dx2y2 0.002008 0.005178 -0.011467 -0.007122 -0.002078 0.002788 4C 2dxy -0.007206 0.010687 0.019397 0.025946 -0.024807 0.014783 4C 1f0 0.001216 -0.000568 0.001632 0.001705 -0.002304 0.001166 4C 1f+1 0.002286 -0.000893 -0.001963 -0.002256 0.000757 -0.001034 4C 1f-1 0.000597 -0.000521 -0.000433 -0.000366 -0.000132 -0.000044 4C 1f+2 -0.002179 0.000733 -0.000486 -0.000886 0.000576 0.002461 4C 1f-2 -0.000542 -0.000633 -0.000885 -0.000807 -0.000166 0.002585 4C 1f+3 -0.000394 0.000248 -0.001327 -0.001464 0.001380 -0.000702 4C 1f-3 0.002330 -0.001192 0.000035 -0.001012 -0.000228 0.000697 5C 1s 0.004552 0.000158 0.001287 0.000453 0.000804 0.001648 5C 2s 0.010261 0.000628 0.003602 0.000687 0.001839 0.003174 5C 3s -0.014508 -0.008234 -0.019023 0.007385 -0.000548 0.002993 5C 4s -0.116091 0.061274 0.101546 -0.090656 0.005310 -0.080961 5C 5s -1.013897 0.087976 -0.382138 0.071353 -0.216886 0.014126 5C 1pz 0.008814 0.005672 -0.018902 0.010360 0.016693 0.017392 5C 1px 0.004165 -0.019797 -0.024055 0.001783 -0.019144 0.027963 5C 1py -0.024536 -0.000252 -0.011071 0.012958 -0.008375 -0.026449 5C 2pz 0.034064 -0.027091 -0.030446 -0.003451 -0.017653 0.068369 5C 2px 0.032827 0.003911 -0.043714 -0.001677 0.048653 0.049675 5C 2py -0.070659 0.031391 0.034073 -0.032637 0.006036 -0.079557 5C 3pz 0.242130 -0.018637 -0.126750 0.243817 -0.004868 0.152049 5C 3px 0.247755 -0.092489 0.017680 -0.106461 0.384147 -0.227332 5C 3py -0.469906 0.048381 -0.163647 0.172299 0.054976 -0.309221 5C 1dz2 0.000824 -0.002080 -0.005394 0.003221 -0.001619 0.003347 5C 1dxz -0.000331 0.000654 -0.000694 0.000493 0.001624 0.000264 5C 1dyz 0.004551 0.000423 -0.001764 0.000649 -0.000166 0.003770 5C 1dx2y2 0.001352 0.003345 0.003126 -0.000673 0.003488 -0.002296 5C 1dxy 0.000781 -0.005460 -0.004213 0.001625 -0.007242 0.004111 5C 2dz2 0.003615 -0.022162 -0.002605 0.004645 -0.017884 0.003104 5C 2dxz 0.003967 0.033966 0.010566 -0.014194 0.033073 0.001078 5C 2dyz 0.022489 0.008828 -0.010187 0.009248 0.013585 0.009562 5C 2dx2y2 0.013231 0.006976 -0.015997 0.015483 0.024489 -0.009578 5C 2dxy -0.003985 -0.044341 -0.023508 0.024669 -0.040890 -0.007802 5C 1f0 0.001314 0.001165 0.000397 -0.000402 0.001068 0.000867 5C 1f+1 0.001733 0.000441 0.000178 0.000785 -0.000478 0.000691 5C 1f-1 -0.000315 0.000165 -0.002324 0.002260 0.001432 -0.000529 5C 1f+2 -0.000769 -0.001093 -0.000639 -0.000848 -0.001974 0.000818 5C 1f-2 -0.002518 -0.000673 -0.000239 0.000671 -0.001585 -0.001032 5C 1f+3 0.001960 -0.001886 -0.001205 0.001204 -0.002599 0.002603 5C 1f-3 -0.003021 -0.000622 -0.001962 0.001706 -0.001188 -0.000196 6C 1s 0.004577 -0.000032 0.001346 -0.000365 0.000859 -0.001528 6C 2s 0.010324 -0.000354 0.003718 -0.000472 0.001950 -0.002918 6C 3s -0.014842 0.007900 -0.018810 -0.007908 -0.000514 -0.003016 6C 4s -0.114551 -0.066288 0.096972 0.091168 0.003239 0.078517 6C 5s -1.011045 -0.118799 -0.385575 -0.096589 -0.219613 -0.030852 6C 1pz -0.009288 0.005120 0.017643 0.009879 -0.016520 0.015250 6C 1px -0.003574 -0.020140 0.023702 0.002846 0.017549 0.028505 6C 1py 0.024470 0.000481 0.010499 0.013303 0.009173 -0.026219 6C 2pz -0.033536 -0.030020 0.029233 -0.003137 0.015926 0.066993 6C 2px -0.032909 0.005213 0.042972 -0.000716 -0.048618 0.047485 6C 2py 0.069894 0.035537 -0.031874 -0.032094 -0.003752 -0.078440 6C 3pz -0.244454 -0.034387 0.114272 0.235642 -0.000924 0.142285 6C 3px -0.243272 -0.087620 -0.023150 -0.115768 -0.366258 -0.245063 6C 3py 0.467938 0.071098 0.157353 0.179217 -0.042644 -0.308392 6C 1dz2 0.000783 0.002198 -0.005246 -0.003332 -0.001522 -0.003330 6C 1dxz -0.000302 -0.000678 -0.000645 -0.000438 0.001581 -0.000162 6C 1dyz 0.004565 -0.000194 -0.001721 -0.000645 -0.000153 -0.003761 6C 1dx2y2 0.001478 -0.003393 0.003127 0.000870 0.003291 0.002453 6C 1dxy 0.000621 0.005599 -0.004160 -0.001896 -0.006861 -0.004450 6C 2dz2 0.002853 0.022542 -0.002430 -0.004935 -0.017067 -0.003809 6C 2dxz 0.005121 -0.034971 0.010063 0.014886 0.032060 0.000078 6C 2dyz 0.022836 -0.008331 -0.009769 -0.009088 0.013269 -0.008850 6C 2dx2y2 0.013530 -0.006737 -0.015219 -0.014989 0.023009 0.010977 6C 2dxy -0.005487 0.045792 -0.022455 -0.025522 -0.040130 0.006404 6C 1f0 -0.001353 0.001178 -0.000390 -0.000431 -0.001092 0.000830 6C 1f+1 -0.001747 0.000355 -0.000205 0.000742 0.000434 0.000706 6C 1f-1 0.000292 0.000205 0.002209 0.002241 -0.001378 -0.000637 6C 1f+2 0.000796 -0.001084 0.000704 -0.000717 0.001884 0.000936 6C 1f-2 0.002527 -0.000673 0.000213 0.000672 0.001567 -0.000993 6C 1f+3 -0.001902 -0.001976 0.001179 0.001270 0.002384 0.002690 6C 1f-3 0.003031 -0.000541 0.001946 0.001813 0.001114 -0.000128 7C 1s 0.003905 -0.000668 0.001563 0.000279 -0.002279 -0.000665 7C 2s 0.008849 -0.001680 0.004328 0.000028 -0.004931 -0.001173 7C 3s -0.015989 0.014788 -0.026550 0.011416 0.007876 -0.000336 7C 4s -0.093713 -0.067882 0.111984 -0.105557 0.020898 0.044192 7C 5s -0.895416 -0.339594 -0.166529 0.034551 -0.029256 -0.279616 7C 1pz -0.019533 -0.013646 0.009512 -0.007713 0.003196 -0.024449 7C 1px 0.000200 -0.018919 0.023133 -0.023663 -0.015718 0.000132 7C 1py -0.004185 -0.013483 0.022027 -0.021349 0.011908 0.024124 7C 2pz -0.073096 -0.051363 0.054471 -0.070551 0.014390 0.007140 7C 2px 0.004525 -0.015414 0.019942 -0.000045 0.001783 0.018059 7C 2py -0.036706 -0.017910 0.055996 -0.071165 0.013803 0.007684 7C 3pz -0.413714 -0.099330 0.258121 -0.239607 0.109241 -0.193701 7C 3px 0.027415 -0.327664 -0.074669 0.168333 0.090718 -0.304445 7C 3py -0.202481 -0.261878 0.096860 0.021745 0.251373 0.177291 7C 1dz2 -0.002009 0.000701 -0.002921 0.002146 0.003569 0.002176 7C 1dxz -0.000041 -0.001359 0.002228 -0.003607 -0.003325 0.000808 7C 1dyz -0.004563 -0.000983 0.003897 -0.004844 -0.000339 0.000063 7C 1dx2y2 0.000298 -0.001024 0.004412 -0.003646 -0.000522 0.001920 7C 1dxy -0.001171 -0.002207 0.005562 -0.005578 -0.001734 0.003284 7C 2dz2 -0.012149 0.006243 0.004771 0.003748 0.011913 0.014162 7C 2dxz -0.003205 -0.009854 0.017629 -0.024810 -0.012392 0.009099 7C 2dyz -0.018024 -0.003051 0.014624 -0.016310 -0.004737 0.015120 7C 2dx2y2 0.002307 -0.005019 -0.011491 0.006892 -0.001952 -0.002742 7C 2dxy -0.006510 -0.010453 0.019559 -0.025165 -0.023363 -0.015623 7C 1f0 -0.001217 -0.000649 -0.001654 0.001697 0.002163 0.001201 7C 1f+1 -0.002225 -0.000952 0.002007 -0.002203 -0.000653 -0.001090 7C 1f-1 -0.000578 -0.000531 0.000403 -0.000290 0.000167 -0.000049 7C 1f+2 0.002140 0.000781 0.000430 -0.000764 -0.000595 0.002457 7C 1f-2 0.000567 -0.000628 0.000902 -0.000757 0.000096 0.002609 7C 1f+3 0.000410 0.000253 0.001401 -0.001487 -0.001334 -0.000727 7C 1f-3 -0.002278 -0.001265 -0.000004 -0.000979 0.000236 0.000700 8C 1s -0.010789 -0.003621 0.003571 0.001095 -0.001198 0.008054 8C 2s -0.024801 -0.008011 0.008009 0.002368 -0.002563 0.018513 8C 3s 0.088829 0.016564 -0.021552 -0.002850 0.000591 -0.062057 8C 4s -0.213800 0.017463 0.002850 -0.025868 0.028740 0.134699 8C 5s 2.606948 0.522068 -0.251969 -0.102838 -0.004283 -1.271876 8C 1pz 0.009921 0.053953 -0.092215 -0.093345 -0.016071 -0.001569 8C 1px 0.051694 -0.113156 0.055193 0.040063 0.124432 0.025168 8C 1py -0.048269 -0.039036 0.005094 -0.016396 0.059504 0.055612 8C 2pz 0.003228 -0.003155 -0.012658 -0.007057 -0.004638 -0.015512 8C 2px 0.009956 -0.031938 0.016480 0.010426 0.030959 -0.008562 8C 2py -0.012928 0.005956 -0.002712 -0.025321 0.023150 0.037848 8C 3pz -0.352744 0.228356 -0.629624 -0.622630 -0.188268 0.073393 8C 3px 0.108252 -0.596004 0.455035 0.351209 0.876933 0.649034 8C 3py 0.327650 -0.062252 -0.041839 -0.128229 0.391155 0.000900 8C 1dz2 0.000676 -0.001523 -0.000793 -0.001413 0.002157 -0.000224 8C 1dxz -0.003888 0.008123 -0.006630 -0.003903 -0.011984 -0.005805 8C 1dyz 0.001230 0.005513 -0.006987 -0.004760 -0.003613 -0.006538 8C 1dx2y2 0.003079 0.000349 0.002738 0.003566 -0.000265 -0.002878 8C 1dxy 0.002931 -0.002941 0.003662 0.002838 0.001359 -0.003122 8C 2dz2 -0.009195 -0.007651 -0.004213 -0.005216 0.016297 0.015322 8C 2dxz 0.000002 0.069234 -0.031267 -0.018466 -0.068871 -0.030777 8C 2dyz -0.047978 0.017447 -0.016777 -0.025650 -0.018688 0.030705 8C 2dx2y2 -0.025221 -0.020792 0.037021 0.040401 -0.013086 -0.000805 8C 2dxy -0.023530 -0.015568 0.030738 0.030467 0.002775 0.017646 8C 1f0 0.003826 0.002026 -0.004821 -0.005169 0.001442 -0.001144 8C 1f+1 -0.000333 0.005474 -0.003482 -0.003387 -0.004202 -0.000504 8C 1f-1 0.003670 0.001886 0.000320 0.001688 -0.002438 -0.003787 8C 1f+2 -0.007084 0.000716 0.001038 -0.000468 -0.000874 0.003872 8C 1f-2 -0.003342 -0.002892 0.001987 0.001389 0.002502 0.002177 8C 1f+3 -0.000741 -0.003822 0.000628 -0.000828 0.004606 0.003677 8C 1f-3 0.003165 -0.005220 0.002522 0.002615 0.005269 -0.000781 9C 1s -0.009230 -0.007429 0.006676 -0.007497 0.002329 -0.000284 9C 2s -0.021374 -0.016312 0.015093 -0.017134 0.005073 -0.000410 9C 3s 0.081992 0.033819 -0.039998 0.052852 -0.010309 -0.004641 9C 4s -0.217371 0.018482 0.025446 -0.080987 0.000560 0.027141 9C 5s 2.404156 0.902916 -0.931253 1.153798 -0.339779 -0.003683 9C 1pz 0.052047 0.021442 -0.068953 0.082762 0.050726 0.044561 9C 1px 0.021979 -0.032612 0.083155 -0.094864 -0.069010 0.029639 9C 1py 0.029132 0.017943 0.010569 -0.009679 -0.057867 -0.100601 9C 2pz 0.011117 0.002605 -0.011846 0.022153 0.006022 0.018882 9C 2px 0.006870 -0.021805 0.021069 -0.021231 -0.019508 0.000402 9C 2py 0.009204 -0.001476 0.009146 -0.004376 -0.016304 -0.025978 9C 3pz -0.211254 -0.204431 -0.195063 0.255852 0.463977 0.186050 9C 3px 0.036538 0.024684 0.721194 -0.812283 -0.446524 0.460946 9C 3py -0.238610 -0.030145 0.196919 -0.275827 -0.279909 -0.626030 9C 1dz2 -0.001487 -0.002284 0.002287 -0.002451 -0.000353 -0.000861 9C 1dxz -0.002578 0.001692 -0.006171 0.006205 0.003986 -0.006291 9C 1dyz -0.002513 -0.001691 0.005720 -0.007095 -0.001651 0.001193 9C 1dx2y2 0.001506 0.001016 0.006872 -0.007454 -0.006651 0.001069 9C 1dxy -0.000348 0.000820 -0.002963 0.003553 0.005493 0.005263 9C 2dz2 0.025174 0.019461 -0.012741 0.014590 -0.009389 -0.010757 9C 2dxz 0.014929 0.021434 -0.032140 0.040264 0.008338 -0.041499 9C 2dyz 0.042252 0.011302 -0.009866 0.012263 -0.023673 -0.007210 9C 2dx2y2 -0.011672 -0.018652 0.048558 -0.054614 -0.038328 -0.018373 9C 2dxy 0.011879 -0.002792 -0.029058 0.031468 0.032141 0.037416 9C 1f0 0.001892 0.001094 -0.005026 0.005614 0.005116 0.004181 9C 1f+1 -0.000839 0.000359 0.000939 -0.000653 -0.000545 -0.002900 9C 1f-1 -0.000281 -0.001579 0.003269 -0.003786 -0.002119 -0.000726 9C 1f+2 -0.004282 -0.002305 0.003634 -0.005106 -0.001927 0.000949 9C 1f-2 0.004868 0.000208 -0.001029 0.001489 -0.000354 0.002273 9C 1f+3 -0.006146 -0.003089 0.002223 -0.003187 0.002802 0.004897 9C 1f-3 -0.001810 0.001035 -0.001412 0.001992 0.002441 -0.001067 10H 1s 0.001885 0.003749 0.024225 0.027439 -0.018488 -0.012261 10H 2s 0.075997 -0.075046 -0.070892 -0.104622 0.046529 -0.021100 10H 3s -0.585970 0.377253 1.374506 1.700456 -0.833231 -0.478595 10H 1pz 0.008944 -0.009277 -0.016446 -0.020873 0.008390 0.005257 10H 1px -0.014233 0.011606 0.025848 0.032897 -0.016317 -0.004729 10H 1py 0.004063 -0.003606 -0.006496 -0.008791 0.005984 -0.003601 11H 1s -0.004030 -0.000355 -0.005618 -0.006050 0.000135 0.014451 11H 2s 0.046964 0.020823 -0.042732 -0.033854 0.032020 -0.088040 11H 3s -0.797459 0.059456 0.015967 0.068879 -0.121682 1.052568 11H 1pz 0.011705 -0.000493 0.000188 0.000516 -0.001281 -0.015169 11H 1px 0.011659 0.000702 -0.007372 -0.008644 0.006687 -0.014952 11H 1py -0.009147 -0.000183 -0.000555 -0.000639 -0.000553 0.012136 12H 1s -0.002022 0.000159 -0.013990 -0.016641 0.016640 -0.004156 12H 2s 0.050471 -0.009173 0.028108 0.020454 -0.103491 0.134147 12H 3s -0.632870 0.202259 -0.479490 -0.532477 1.112269 -0.811269 12H 1pz -0.003200 0.001042 -0.001960 -0.002304 0.005068 -0.006810 12H 1px 0.005603 -0.001251 -0.000075 -0.000554 -0.009797 0.015123 12H 1py 0.015336 -0.004226 0.011832 0.011944 -0.026204 0.018407 13H 1s 0.005368 0.020051 0.023286 -0.012719 0.026429 -0.014584 13H 2s 0.041039 -0.153186 -0.079768 0.086681 -0.083968 -0.014187 13H 3s -0.317911 1.305417 1.297173 -0.936915 1.396930 -0.850896 13H 1pz 0.007325 -0.025199 -0.017898 0.013257 -0.023356 0.010900 13H 1px -0.006008 0.024031 0.021221 -0.017042 0.020132 -0.008064 13H 1py -0.004042 0.013197 0.011234 -0.008703 0.008984 -0.005151 14H 1s -0.003929 -0.011095 -0.006234 0.000051 -0.021769 0.013878 14H 2s 0.078832 0.088498 -0.052631 0.049801 0.107708 0.041429 14H 3s -0.852270 -0.647382 0.067355 -0.200705 -1.250825 0.181284 14H 1pz 0.013313 0.012124 0.003466 -0.000571 0.019778 -0.002039 14H 1px 0.018594 0.014907 -0.007358 0.008426 0.024943 0.002791 14H 1py 0.003023 0.002807 -0.000759 0.001004 0.004042 -0.002134 15H 1s -0.004394 -0.005103 -0.010750 0.009495 -0.000940 0.001462 15H 2s 0.062376 0.020919 0.051584 -0.094838 -0.032342 0.099940 15H 3s -0.868396 -0.216052 -0.716620 0.850993 0.087180 -0.509789 15H 1pz -0.013827 -0.002731 -0.009830 0.014520 0.004219 -0.011376 15H 1px 0.002534 -0.002554 -0.001441 -0.001688 -0.007664 0.009017 15H 1py -0.017066 -0.006195 -0.013121 0.016742 -0.000932 -0.013298 16H 1s -0.010134 -0.027770 -0.013500 -0.007325 -0.003545 -0.014052 16H 2s 0.000460 -0.033168 -0.040861 -0.015491 -0.003481 -0.001677 16H 3s -0.292830 -0.866381 -0.350921 -0.201536 -0.129046 -0.504422 16H 1pz 0.008807 0.022372 0.009067 0.006078 0.002914 0.012715 16H 1px -0.001754 -0.002581 -0.000099 -0.000245 -0.000715 -0.001644 16H 1py 0.003659 0.011164 0.005430 0.003761 0.001910 0.005022 17H 1s -0.005358 0.003593 0.011689 0.008824 0.005268 -0.009969 17H 2s 0.001704 0.013318 0.004814 0.000057 0.019512 0.003759 17H 3s -0.144895 0.078305 0.396713 0.323793 0.086591 -0.403753 17H 1pz -0.002564 0.002077 0.006169 0.005268 0.001236 -0.006338 17H 1px -0.003808 0.002390 0.008477 0.006634 0.001386 -0.006700 17H 1py 0.001753 -0.004117 -0.007908 -0.006344 -0.001646 0.005707 18H 1s -0.005109 -0.003716 0.012125 -0.008388 0.005128 0.010253 18H 2s 0.001967 -0.012773 0.004837 0.000342 0.019485 -0.001839 18H 3s -0.137916 -0.080555 0.412244 -0.310607 0.078940 0.407902 18H 1pz 0.002437 0.002247 -0.006600 0.005209 -0.001207 -0.006462 18H 1px 0.003616 0.002535 -0.008812 0.006368 -0.001326 -0.006692 18H 1py -0.001432 -0.004063 0.007943 -0.005880 0.001556 0.005556 19H 1s -0.011253 0.027299 -0.013464 0.006822 -0.004049 0.013767 19H 2s -0.001194 0.033467 -0.040898 0.014391 -0.003508 0.001834 19H 3s -0.327632 0.852981 -0.348309 0.187393 -0.149443 0.495672 19H 1pz -0.009586 0.021668 -0.008928 0.005619 -0.003371 0.012348 19H 1px 0.001928 -0.002678 0.000175 -0.000263 0.000801 -0.001675 19H 1py -0.004303 0.011433 -0.005655 0.003682 -0.002191 0.005152 20H 1s -0.004502 0.005075 -0.010393 -0.009657 -0.001013 -0.001306 20H 2s 0.063206 -0.019692 0.047155 0.092180 -0.028334 -0.102836 20H 3s -0.873537 0.194045 -0.680839 -0.852327 0.060928 0.529952 20H 1pz 0.013936 -0.002413 0.009207 0.014345 -0.003614 -0.011840 20H 1px -0.002622 -0.002644 0.001487 -0.001502 0.007057 0.009562 20H 1py 0.017233 -0.005812 0.012470 0.016717 0.001449 -0.013370 21H 1s -0.004326 0.011132 -0.006404 -0.000914 -0.020322 -0.014988 21H 2s 0.082104 -0.086708 -0.049993 -0.046141 0.104609 -0.034457 21H 3s -0.879199 0.627411 0.042078 0.153021 -1.189524 -0.257705 21H 1pz -0.013856 0.011955 -0.003591 -0.001329 -0.019078 -0.003126 21H 1px -0.019141 0.014349 0.006766 0.007547 -0.023793 0.001229 21H 1py -0.003183 0.002781 0.000702 0.000894 -0.003838 -0.002328 22H 1s 0.005950 -0.020236 0.023003 0.013984 0.025067 0.015815 22H 2s 0.036120 0.158077 -0.074769 -0.088048 -0.081935 0.011847 22H 3s -0.282878 -1.348343 1.262558 0.990582 1.323490 0.904157 22H 1pz -0.006517 -0.025842 0.017204 0.013896 0.022058 0.011777 22H 1px 0.005364 0.024918 -0.020534 -0.017796 -0.019358 -0.008807 22H 1py 0.003701 0.013766 -0.010898 -0.009116 -0.008670 -0.005414 23H 1s -0.002180 -0.000581 -0.014143 0.016209 0.015755 0.004677 23H 2s 0.050617 0.013450 0.028069 -0.022750 -0.096738 -0.136988 23H 3s -0.634042 -0.250292 -0.479732 0.528728 1.045745 0.839873 23H 1pz 0.003276 0.001330 0.002005 -0.002349 -0.004767 -0.007093 23H 1px -0.005405 -0.001703 0.000388 -0.000532 0.008679 0.015079 23H 1py -0.015410 -0.005331 -0.011840 0.011935 0.024867 0.019271 24H 1s -0.004033 0.000458 -0.005827 0.005759 0.000675 -0.014464 24H 2s 0.047222 -0.020560 -0.045884 0.037645 0.028392 0.088399 24H 3s -0.791382 -0.071562 0.027396 -0.093923 -0.079851 -1.053569 24H 1pz -0.011588 -0.000712 -0.000027 0.000099 0.001789 -0.015046 24H 1px -0.011747 0.000566 0.007803 -0.008984 -0.005885 -0.015349 24H 1py 0.008950 0.000001 0.000478 -0.000320 0.000107 0.011882 25H 1s 0.002224 -0.003701 0.024772 -0.026718 -0.018175 0.011739 25H 2s 0.072553 0.078056 -0.072096 0.101437 0.044436 0.025237 25H 3s -0.561108 -0.401233 1.412398 -1.658813 -0.812961 0.441793 25H 1pz -0.008565 -0.009783 0.017000 -0.020459 -0.008320 0.004762 25H 1px 0.013575 0.012159 -0.026468 0.032029 0.015825 -0.003799 25H 1py -0.003693 -0.003531 0.006358 -0.008253 -0.005433 -0.003883 26O 1s 0.008949 -0.002593 -0.004058 -0.005453 -0.000916 0.003211 26O 2s 0.021992 -0.006204 -0.010203 -0.013318 -0.002282 0.008050 26O 3s -0.039606 0.009423 0.021277 0.022636 0.004636 -0.015517 26O 4s -0.052800 0.018891 0.005876 0.036592 -0.000415 -0.017111 26O 5s -0.106259 0.044093 0.140702 0.022485 0.141758 -0.083834 26O 1pz -0.069833 0.007662 -0.015420 0.000239 0.014386 0.018876 26O 1px 0.013678 -0.008479 -0.021086 -0.030680 0.015077 0.008114 26O 1py -0.037508 0.007604 -0.010336 -0.002297 0.019870 -0.026493 26O 2pz -0.059904 0.004412 -0.016289 -0.001209 0.014735 0.012291 26O 2px 0.010895 0.006527 -0.018558 -0.022049 0.012397 0.020912 26O 2py -0.032661 0.007900 -0.009171 0.000169 0.015768 -0.016963 26O 3pz -0.119272 -0.000570 -0.008427 0.009515 0.018222 0.052213 26O 3px 0.002474 -0.061751 -0.043387 -0.026608 -0.066542 -0.021117 26O 3py -0.069515 -0.004965 -0.029879 -0.014144 0.019381 -0.074524 26O 1dz2 0.000756 0.000487 0.000446 -0.000037 0.000092 -0.000151 26O 1dxz -0.000030 -0.000073 -0.000236 -0.000337 0.000383 0.000678 26O 1dyz 0.000562 -0.000239 0.000223 -0.000141 0.000026 0.000255 26O 1dx2y2 -0.000710 -0.000587 -0.000173 0.000084 -0.000694 -0.000239 26O 1dxy -0.000334 -0.000790 -0.000602 -0.000361 0.000362 -0.000605 26O 2dz2 0.001975 0.001908 0.002391 0.002883 -0.000493 -0.001875 26O 2dxz -0.000279 -0.000261 -0.002438 -0.003336 0.002628 0.001200 26O 2dyz -0.001510 -0.000047 0.004807 0.005683 -0.001115 -0.001505 26O 2dx2y2 -0.003434 -0.002821 -0.001631 -0.001487 0.004075 -0.002118 26O 2dxy -0.002690 -0.002599 -0.000866 -0.000500 0.004653 -0.002355 26O 1f0 0.000211 -0.000200 -0.000037 -0.000117 0.000003 0.000337 26O 1f+1 -0.000496 -0.000108 -0.000044 0.000213 -0.000064 0.000165 26O 1f-1 -0.000160 0.000046 -0.000027 0.000140 0.000106 0.000073 26O 1f+2 -0.000098 0.000090 0.000288 0.000281 -0.000097 0.000067 26O 1f-2 -0.000425 0.000181 -0.000134 0.000129 0.000050 -0.000119 26O 1f+3 -0.000484 0.000043 -0.000056 0.000197 0.000000 0.000075 26O 1f-3 -0.000126 -0.000196 -0.000008 0.000140 0.000185 -0.000310 27O 1s 0.010432 0.000905 -0.002257 -0.002254 -0.002692 0.010096 27O 2s 0.025849 0.002740 -0.005657 -0.005783 -0.006100 0.025219 27O 3s -0.049528 -0.011747 0.010618 0.014187 0.004106 -0.050758 27O 4s -0.042476 0.028874 0.012221 -0.011711 0.055434 -0.024813 27O 5s -0.255887 -0.167090 0.088548 0.127649 -0.255028 -0.256793 27O 1pz -0.040685 0.011267 0.011006 -0.028109 0.013344 -0.007431 27O 1px -0.008447 -0.035829 -0.018784 0.013748 -0.031571 0.001475 27O 1py 0.062772 -0.006332 0.022983 -0.020271 -0.004826 -0.001811 27O 2pz -0.036183 0.004022 0.006436 -0.021209 0.008975 -0.012285 27O 2px -0.004827 -0.014963 -0.024473 0.013768 -0.011168 0.005271 27O 2py 0.055826 -0.007363 0.019979 -0.019092 -0.005616 -0.000657 27O 3pz -0.070222 -0.018207 0.012760 -0.037083 -0.015494 -0.016886 27O 3px 0.017396 -0.039236 -0.025698 -0.022363 0.038291 0.035685 27O 3py 0.101829 0.041061 0.076324 -0.038255 -0.014660 0.043111 27O 1dz2 -0.000001 0.000274 0.000042 0.000453 -0.000051 -0.000449 27O 1dxz 0.000013 -0.000723 0.000078 0.000260 -0.001116 -0.000274 27O 1dyz -0.000532 -0.000067 -0.000650 0.000198 0.000338 -0.000198 27O 1dx2y2 -0.000557 0.000319 -0.000178 -0.000515 0.001058 0.000522 27O 1dxy 0.000171 0.000960 0.000818 -0.000155 0.000531 0.000415 27O 2dz2 0.004036 0.003397 -0.000859 0.000170 0.005786 0.002648 27O 2dxz 0.001505 0.001169 0.000788 -0.001549 0.000554 0.001271 27O 2dyz 0.000717 -0.001361 -0.005052 0.002355 -0.001984 0.007287 27O 2dx2y2 -0.004442 -0.002578 0.000031 0.002039 -0.003580 -0.001936 27O 2dxy 0.003625 0.003241 0.000875 -0.000882 0.004539 0.001033 27O 1f0 0.000345 -0.000097 0.000071 -0.000094 -0.000161 0.000165 27O 1f+1 -0.000180 -0.000102 0.000252 -0.000206 -0.000183 -0.000245 27O 1f-1 -0.000012 0.000132 -0.000049 0.000070 0.000272 -0.000027 27O 1f+2 -0.000200 0.000112 0.000050 0.000073 0.000269 -0.000006 27O 1f-2 0.000251 0.000078 0.000229 -0.000026 0.000021 -0.000134 27O 1f+3 -0.000635 0.000117 0.000065 -0.000100 0.000274 -0.000437 27O 1f-3 -0.000207 0.000106 0.000203 -0.000207 0.000372 0.000013 28O 1s 0.011200 -0.002191 0.001694 -0.000259 -0.002891 -0.005914 28O 2s 0.027646 -0.005610 0.003785 -0.000810 -0.007208 -0.014795 28O 3s -0.051399 0.013250 -0.001540 0.003550 0.014858 0.030137 28O 4s -0.051261 -0.001197 -0.038297 -0.013728 0.002423 0.015806 28O 5s -0.250649 0.045119 0.178727 0.221157 0.086421 0.095386 28O 1pz -0.053109 0.002301 0.016459 0.029526 -0.018423 0.030000 28O 1px -0.029362 -0.011402 0.010518 0.016563 0.004616 -0.006059 28O 1py -0.037558 0.004118 -0.007183 0.012522 0.025029 -0.055380 28O 2pz -0.048867 -0.008139 0.010664 0.021030 -0.010561 0.017991 28O 2px -0.031161 -0.004035 0.014089 0.020633 0.000791 -0.000762 28O 2py -0.033958 -0.001635 -0.006620 0.012692 0.020139 -0.046844 28O 3pz -0.034356 0.094794 -0.010333 -0.016869 -0.044593 0.112480 28O 3px -0.050989 -0.008598 0.044577 0.084100 0.024805 -0.015149 28O 3py -0.041573 0.068248 0.004195 0.007575 0.032218 -0.021724 28O 1dz2 0.000526 0.000915 0.000442 0.000598 -0.000358 0.000078 28O 1dxz 0.000487 -0.000482 0.000441 0.000412 -0.000147 -0.000060 28O 1dyz 0.000717 0.000513 0.001244 0.000791 -0.000670 -0.000104 28O 1dx2y2 -0.000330 -0.000496 -0.000393 -0.000362 0.000285 -0.000375 28O 1dxy 0.000160 -0.000492 -0.000133 -0.000207 -0.000116 -0.000438 28O 2dz2 -0.002485 0.000917 0.004361 0.004799 -0.004199 0.002393 28O 2dxz 0.005728 0.001320 0.000367 -0.004554 -0.002269 0.001277 28O 2dyz -0.001485 0.002883 0.004823 0.004880 0.001203 -0.003937 28O 2dx2y2 -0.003261 -0.000502 0.000719 0.003664 -0.000804 -0.000148 28O 2dxy 0.000511 0.000971 0.002010 0.001453 -0.001469 0.003029 28O 1f0 -0.000513 -0.000056 -0.000318 -0.000057 0.000153 -0.000056 28O 1f+1 0.000185 0.000033 0.000332 0.000234 -0.000171 0.000133 28O 1f-1 -0.000296 -0.000040 -0.000350 -0.000278 0.000033 0.000283 28O 1f+2 0.000558 0.000099 0.000121 -0.000279 -0.000211 0.000122 28O 1f-2 0.000270 0.000081 0.000379 0.000194 0.000022 -0.000383 28O 1f+3 0.000426 0.000103 0.000155 -0.000179 -0.000158 0.000176 28O 1f-3 0.000206 0.000086 -0.000028 -0.000024 0.000044 -0.000248 29O 1s -0.003650 -0.006389 -0.001828 -0.001052 0.001207 -0.003157 29O 2s -0.009467 -0.016459 -0.004460 -0.002419 0.002889 -0.008695 29O 3s 0.024892 0.041583 0.006979 0.001584 -0.003826 0.030746 29O 4s -0.015539 -0.023081 0.012560 0.017780 -0.012020 -0.053202 29O 5s 0.168262 0.322396 0.037315 -0.011033 -0.014499 0.293107 29O 1pz -0.020538 -0.090081 -0.061876 -0.040300 -0.018424 -0.029828 29O 1px 0.014870 -0.002581 -0.029616 -0.028811 -0.004782 0.050539 29O 1py -0.021310 -0.033814 0.004447 0.007067 0.000942 -0.045188 29O 2pz -0.011491 -0.048781 -0.038995 -0.024385 -0.010277 -0.016212 29O 2px 0.008248 -0.002426 -0.010992 -0.014755 -0.007102 0.028804 29O 2py -0.011710 -0.020293 -0.000857 0.002780 0.001407 -0.026680 29O 3pz -0.039021 -0.212472 -0.137203 -0.079364 -0.052701 -0.071885 29O 3px 0.025906 -0.028849 -0.096073 -0.074478 0.004746 0.104271 29O 3py -0.042490 -0.079273 0.006491 0.014897 0.007345 -0.091748 29O 1dz2 -0.000240 -0.000623 -0.000237 0.000021 -0.000174 -0.000624 29O 1dxz 0.000018 0.000281 0.000344 0.000251 0.000151 -0.000391 29O 1dyz 0.000102 -0.000279 -0.000384 -0.000101 -0.000230 0.000180 29O 1dx2y2 -0.000223 -0.000606 -0.000222 -0.000146 0.000070 -0.000122 29O 1dxy -0.000156 -0.000473 -0.000194 -0.000038 -0.000063 -0.000385 29O 2dz2 -0.003358 -0.009001 -0.002949 -0.001655 -0.001167 -0.006548 29O 2dxz -0.000295 0.002560 0.003558 0.003142 0.000831 -0.002609 29O 2dyz -0.001292 -0.006800 -0.005536 -0.004509 -0.001404 0.000089 29O 2dx2y2 -0.001530 0.000052 0.001342 0.000598 0.000284 -0.000333 29O 2dxy 0.000465 -0.001696 -0.002584 -0.002251 -0.000658 0.000378 29O 1f0 0.000232 -0.000170 -0.000523 -0.000303 -0.000026 0.000300 29O 1f+1 -0.000174 -0.000495 -0.000303 -0.000241 -0.000123 -0.000066 29O 1f-1 0.000404 0.000816 0.000131 0.000128 0.000203 0.000620 29O 1f+2 -0.000190 -0.000379 -0.000195 -0.000176 -0.000085 -0.000108 29O 1f-2 0.000088 -0.000313 -0.000525 -0.000438 0.000025 0.000356 29O 1f+3 -0.000089 0.000327 0.000245 0.000147 0.000021 0.000107 29O 1f-3 -0.000030 0.000194 0.000158 0.000092 0.000037 0.000102 30O 1s 0.010195 -0.000493 0.003130 -0.000296 0.000347 0.000177 30O 2s 0.025159 -0.001525 0.007664 -0.000781 0.000758 0.000566 30O 3s -0.047328 0.005815 -0.013877 0.002996 -0.001178 -0.004114 30O 4s -0.044626 -0.007203 -0.013148 -0.011027 -0.005816 0.028359 30O 5s -0.163581 0.150328 0.003906 -0.038851 0.220149 -0.185368 30O 1pz -0.024566 -0.001359 0.021327 -0.035645 -0.003016 0.007354 30O 1px -0.045226 -0.021444 0.016122 -0.014659 0.000222 -0.028901 30O 1py 0.049840 -0.023087 0.005717 -0.003323 -0.042914 0.021267 30O 2pz -0.024090 -0.015769 0.013287 -0.022066 -0.007308 -0.002080 30O 2px -0.038444 -0.002752 0.017568 -0.018805 0.015232 -0.015570 30O 2py 0.049325 -0.003008 0.005942 -0.004944 -0.027579 0.031157 30O 3pz -0.041667 0.055215 0.031808 -0.064286 -0.046164 0.080455 30O 3px -0.057620 0.006827 -0.000308 0.009095 0.054289 -0.123372 30O 3py 0.065173 -0.084867 0.029370 -0.018852 -0.004128 -0.079641 30O 1dz2 -0.000156 0.000395 -0.000389 0.000444 0.000153 -0.000365 30O 1dxz 0.000612 -0.000283 -0.000048 0.000212 0.000020 -0.000362 30O 1dyz -0.000446 -0.000992 -0.000888 0.000134 -0.000357 0.000040 30O 1dx2y2 -0.000624 -0.000837 -0.000190 -0.000354 -0.000444 0.000917 30O 1dxy -0.000929 -0.000172 -0.000607 0.000239 -0.000366 0.000556 30O 2dz2 0.000532 -0.003608 -0.000656 -0.000996 -0.005958 0.003131 30O 2dxz 0.001505 -0.001384 -0.000317 0.001102 -0.005684 0.002440 30O 2dyz 0.003178 -0.004124 -0.004545 0.002088 -0.004236 0.005763 30O 2dx2y2 0.000202 -0.002143 -0.001183 -0.000354 -0.000268 0.001604 30O 2dxy -0.002403 0.001427 -0.003139 0.001173 0.005999 -0.001549 30O 1f0 -0.000113 0.000084 0.000159 -0.000039 0.000305 -0.000440 30O 1f+1 0.000218 -0.000062 0.000218 -0.000242 -0.000098 0.000107 30O 1f-1 0.000240 -0.000147 0.000231 0.000028 -0.000119 -0.000072 30O 1f+2 0.000535 0.000121 0.000297 0.000044 -0.000149 -0.000017 30O 1f-2 0.000070 -0.000010 -0.000201 -0.000018 -0.000340 0.000531 30O 1f+3 0.000214 0.000169 0.000044 0.000176 0.000057 -0.000062 30O 1f-3 0.000478 0.000004 0.000416 -0.000181 -0.000256 0.000024 31O 1s 0.010169 0.000933 0.003184 0.000508 0.000270 -0.000129 31O 2s 0.025085 0.002619 0.007796 0.001298 0.000577 -0.000445 31O 3s -0.047061 -0.007898 -0.014080 -0.003883 -0.001015 0.003817 31O 4s -0.044928 0.005646 -0.013812 0.009695 -0.004074 -0.028275 31O 5s -0.158826 -0.169282 0.001667 0.038801 0.209571 0.190218 31O 1pz 0.024770 -0.000138 -0.019666 -0.035068 0.002630 0.007992 31O 1px 0.046138 -0.020033 -0.015689 -0.014574 0.000130 -0.028912 31O 1py -0.049122 -0.025083 -0.005100 -0.002319 0.041024 0.023697 31O 2pz 0.024793 -0.015029 -0.012227 -0.021625 0.007110 -0.001590 31O 2px 0.038747 -0.000970 -0.016892 -0.018974 -0.014860 -0.016195 31O 2py -0.049399 -0.004422 -0.005196 -0.004084 0.025674 0.032843 31O 3pz 0.039375 0.054773 -0.028388 -0.062644 0.042966 0.083193 31O 3px 0.057488 0.011821 0.000265 0.009694 -0.049554 -0.124215 31O 3py -0.060933 -0.085367 -0.029222 -0.019031 0.006662 -0.077303 31O 1dz2 -0.000142 -0.000404 -0.000387 -0.000452 0.000142 0.000358 31O 1dxz 0.000603 0.000279 -0.000036 -0.000208 0.000009 0.000361 31O 1dyz -0.000483 0.000979 -0.000872 -0.000176 -0.000344 -0.000048 31O 1dx2y2 -0.000654 0.000832 -0.000190 0.000340 -0.000386 -0.000926 31O 1dxy -0.000927 0.000167 -0.000604 -0.000265 -0.000331 -0.000548 31O 2dz2 0.000412 0.003735 -0.000680 0.000827 -0.005669 -0.003464 31O 2dxz 0.001496 0.001632 -0.000278 -0.001156 -0.005452 -0.002605 31O 2dyz 0.003073 0.004514 -0.004392 -0.002187 -0.004028 -0.005797 31O 2dx2y2 0.000123 0.002090 -0.001193 0.000257 -0.000151 -0.001668 31O 2dxy -0.002368 -0.001695 -0.003076 -0.001163 0.005713 0.001791 31O 1f0 0.000113 0.000097 -0.000156 -0.000046 -0.000283 -0.000449 31O 1f+1 -0.000212 -0.000067 -0.000203 -0.000239 0.000093 0.000121 31O 1f-1 -0.000234 -0.000153 -0.000230 0.000020 0.000112 -0.000062 31O 1f+2 -0.000540 0.000095 -0.000303 0.000026 0.000158 -0.000009 31O 1f-2 -0.000073 -0.000028 0.000198 -0.000011 0.000318 0.000538 31O 1f+3 -0.000221 0.000159 -0.000054 0.000166 -0.000047 -0.000064 31O 1f-3 -0.000477 -0.000022 -0.000408 -0.000191 0.000258 0.000040 32O 1s -0.003894 0.006259 -0.001750 0.001009 0.001160 0.003222 32O 2s -0.010091 0.016120 -0.004247 0.002310 0.002743 0.008852 32O 3s 0.026420 -0.040680 0.006295 -0.001365 -0.003088 -0.030940 32O 4s -0.016240 0.022565 0.013533 -0.017685 -0.014022 0.052636 32O 5s 0.180344 -0.316962 0.031158 0.012410 -0.006029 -0.294810 32O 1pz 0.023799 -0.088070 0.062746 -0.038273 0.020250 -0.027515 32O 1px -0.014730 -0.002362 0.030643 -0.027744 0.003361 0.051142 32O 1py 0.022851 -0.035170 -0.003739 0.005885 0.000777 -0.045409 32O 2pz 0.013243 -0.047665 0.039381 -0.023114 0.011360 -0.014945 32O 2px -0.008167 -0.002260 0.011441 -0.014206 0.006373 0.029538 32O 2py 0.012608 -0.021050 0.001304 0.002176 -0.000418 -0.026910 32O 3pz 0.047062 -0.208346 0.138995 -0.074823 0.056703 -0.065907 32O 3px -0.024697 -0.027983 0.098427 -0.071742 -0.008530 0.104525 32O 3py 0.046338 -0.083098 -0.004813 0.012423 -0.003319 -0.093068 32O 1dz2 -0.000270 0.000603 -0.000211 -0.000038 -0.000184 0.000624 32O 1dxz 0.000033 -0.000295 0.000364 -0.000244 0.000139 0.000395 32O 1dyz 0.000073 0.000317 -0.000398 0.000089 -0.000225 -0.000165 32O 1dx2y2 -0.000244 0.000589 -0.000205 0.000137 0.000078 0.000126 32O 1dxy -0.000174 0.000466 -0.000184 0.000030 -0.000065 0.000385 32O 2dz2 -0.003633 0.008530 -0.002670 0.001332 -0.001339 0.006444 32O 2dxz -0.000115 -0.002723 0.003814 -0.003083 0.000849 0.002578 32O 2dyz -0.001768 0.007024 -0.005732 0.004316 -0.001530 0.000110 32O 2dx2y2 -0.001482 -0.000269 0.001528 -0.000671 0.000312 0.000323 32O 2dxy 0.000334 0.001643 -0.002530 0.002039 -0.000691 -0.000277 32O 1f0 -0.000192 -0.000232 0.000544 -0.000297 0.000039 0.000258 32O 1f+1 0.000204 -0.000480 0.000282 -0.000213 0.000130 -0.000078 32O 1f-1 -0.000437 0.000760 -0.000088 0.000092 -0.000220 0.000609 32O 1f+2 0.000220 -0.000382 0.000189 -0.000159 0.000098 -0.000123 32O 1f-2 -0.000057 -0.000357 0.000565 -0.000436 -0.000020 0.000334 32O 1f+3 0.000071 0.000320 -0.000227 0.000125 -0.000026 0.000119 32O 1f-3 0.000016 0.000211 -0.000170 0.000092 -0.000049 0.000110 33O 1s 0.011135 0.002613 0.001689 0.000322 -0.003124 0.005831 33O 2s 0.027479 0.006654 0.003771 0.000954 -0.007796 0.014584 33O 3s -0.050996 -0.015210 -0.001463 -0.003676 0.016110 -0.029629 33O 4s -0.051293 -0.000588 -0.038750 0.012579 0.002645 -0.016302 33O 5s -0.249130 -0.057140 0.183525 -0.212972 0.095742 -0.090334 33O 1pz 0.052665 0.003697 -0.017055 0.029697 0.016331 0.030372 33O 1px 0.029588 -0.010436 -0.011438 0.016988 -0.004379 -0.006184 33O 1py 0.037517 0.006261 0.006705 0.012116 -0.022998 -0.056301 33O 2pz 0.048798 -0.006834 -0.011338 0.021413 0.009114 0.017931 33O 2px 0.031150 -0.002873 -0.014694 0.020578 -0.000939 -0.000792 33O 2py 0.034125 0.000213 0.005903 0.012675 -0.018386 -0.047660 33O 3pz 0.030655 0.094065 0.011935 -0.014807 0.040827 0.114464 33O 3px 0.051215 -0.006207 -0.047552 0.082387 -0.025702 -0.016639 33O 3py 0.038833 0.070265 -0.002300 0.005189 -0.031873 -0.022674 33O 1dz2 0.000562 -0.000898 0.000448 -0.000578 -0.000339 -0.000087 33O 1dxz 0.000467 0.000488 0.000451 -0.000384 -0.000122 0.000047 33O 1dyz 0.000745 -0.000487 0.001254 -0.000751 -0.000668 0.000070 33O 1dx2y2 -0.000349 0.000480 -0.000408 0.000344 0.000265 0.000385 33O 1dxy 0.000141 0.000493 -0.000119 0.000186 -0.000137 0.000435 33O 2dz2 -0.002407 -0.000922 0.004446 -0.004699 -0.003969 -0.002604 33O 2dxz 0.005747 -0.001038 0.000278 0.004475 -0.002318 -0.001485 33O 2dyz -0.001402 -0.003064 0.004990 -0.004703 0.001010 0.003891 33O 2dx2y2 -0.003276 0.000394 0.000729 -0.003563 -0.000697 0.000148 33O 2dxy 0.000590 -0.000916 0.002092 -0.001468 -0.001351 -0.003128 33O 1f0 0.000517 -0.000037 0.000311 -0.000042 -0.000141 -0.000064 33O 1f+1 -0.000189 0.000025 -0.000339 0.000227 0.000164 0.000135 33O 1f-1 0.000298 -0.000034 0.000358 -0.000269 -0.000041 0.000279 33O 1f+2 -0.000562 0.000076 -0.000115 -0.000276 0.000212 0.000134 33O 1f-2 -0.000271 0.000078 -0.000385 0.000177 -0.000007 -0.000380 33O 1f+3 -0.000431 0.000085 -0.000150 -0.000182 0.000153 0.000183 33O 1f-3 -0.000207 0.000080 0.000035 -0.000033 -0.000035 -0.000246 34O 1s 0.010459 -0.000575 -0.002323 0.002170 -0.002350 -0.010243 34O 2s 0.025928 -0.001939 -0.005830 0.005573 -0.005252 -0.025547 34O 3s -0.049858 0.010401 0.011103 -0.013812 0.002469 0.050915 34O 4s -0.041748 -0.031423 0.011657 0.012237 0.054135 0.028061 34O 5s -0.260300 0.167163 0.090899 -0.128155 -0.255087 0.244057 34O 1pz 0.040423 0.013279 -0.009448 -0.027350 -0.012812 -0.007439 34O 1px 0.009632 -0.036511 0.018284 0.014953 0.030757 0.002881 34O 1py -0.062426 -0.008708 -0.022555 -0.021075 0.005875 -0.001118 34O 2pz 0.036146 0.005688 -0.005385 -0.020638 -0.008333 -0.012187 34O 2px 0.005353 -0.015293 0.024046 0.014771 0.010927 0.005765 34O 2py -0.055529 -0.009280 -0.019597 -0.019734 0.006428 0.000067 34O 3pz 0.071145 -0.015149 -0.009968 -0.034310 0.014822 -0.015089 34O 3px -0.016334 -0.037642 0.025052 -0.020954 -0.037745 0.034324 34O 3py -0.102692 0.035502 -0.074303 -0.041130 0.013617 0.043938 34O 1dz2 0.000011 -0.000261 0.000051 -0.000442 -0.000074 0.000452 34O 1dxz -0.000017 0.000742 0.000072 -0.000285 -0.001086 0.000206 34O 1dyz -0.000532 0.000051 -0.000640 -0.000210 0.000320 0.000224 34O 1dx2y2 -0.000546 -0.000372 -0.000187 0.000511 0.001049 -0.000476 34O 1dxy 0.000205 -0.000956 0.000798 0.000189 0.000540 -0.000388 34O 2dz2 0.004164 -0.003381 -0.000829 -0.000090 0.005634 -0.002353 34O 2dxz 0.001528 -0.001113 0.000668 0.001519 0.000530 -0.001300 34O 2dyz 0.000723 0.001486 -0.004928 -0.002476 -0.001694 -0.007322 34O 2dx2y2 -0.004536 0.002656 0.000032 -0.002040 -0.003488 0.001823 34O 2dxy 0.003714 -0.003213 0.000848 0.000967 0.004394 -0.000815 34O 1f0 -0.000342 -0.000106 -0.000065 -0.000091 0.000153 0.000182 34O 1f+1 0.000186 -0.000098 -0.000239 -0.000206 0.000179 -0.000231 34O 1f-1 0.000007 0.000133 0.000044 0.000064 -0.000259 -0.000043 34O 1f+2 0.000195 0.000116 -0.000058 0.000060 -0.000268 -0.000029 34O 1f-2 -0.000253 0.000075 -0.000227 -0.000035 -0.000015 -0.000127 34O 1f+3 0.000634 0.000137 -0.000059 -0.000107 -0.000256 -0.000454 34O 1f-3 0.000205 0.000121 -0.000195 -0.000213 -0.000367 -0.000002 35O 1s 0.008823 0.002921 -0.004222 0.005378 -0.000878 -0.003317 35O 2s 0.021687 0.007009 -0.010604 0.013132 -0.002185 -0.008306 35O 3s -0.039126 -0.010892 0.021971 -0.022268 0.004453 0.015935 35O 4s -0.051892 -0.020705 0.007015 -0.036383 -0.000813 0.017694 35O 5s -0.105521 -0.050475 0.141252 -0.021251 0.137445 0.089082 35O 1pz 0.069471 0.010469 0.014714 0.001703 -0.014191 0.018435 35O 1px -0.013361 -0.008999 0.021312 -0.029558 -0.014492 0.007430 35O 1py 0.037531 0.008674 0.011126 -0.003098 -0.018987 -0.027038 35O 2pz 0.059616 0.006858 0.015667 0.000157 -0.014414 0.011652 35O 2px -0.011208 0.006047 0.018810 -0.021283 -0.012576 0.020177 35O 2py 0.032676 0.008713 0.009828 -0.000460 -0.015416 -0.017578 35O 3pz 0.119422 0.003212 0.006859 0.010929 -0.019693 0.052535 35O 3px -0.000658 -0.063086 0.043266 -0.025061 0.067544 -0.017465 35O 3py 0.069715 -0.001974 0.030434 -0.015515 -0.016076 -0.073328 35O 1dz2 0.000770 -0.000465 0.000450 0.000042 0.000072 0.000150 35O 1dxz -0.000036 0.000090 -0.000232 0.000327 0.000409 -0.000663 35O 1dyz 0.000551 0.000259 0.000228 0.000143 0.000032 -0.000270 35O 1dx2y2 -0.000729 0.000583 -0.000178 -0.000092 -0.000689 0.000221 35O 1dxy -0.000366 0.000757 -0.000596 0.000352 0.000326 0.000595 35O 2dz2 0.002066 -0.001915 0.002509 -0.002780 -0.000539 0.001787 35O 2dxz -0.000293 0.000254 -0.002510 0.003256 0.002552 -0.001074 35O 2dyz -0.001489 -0.000005 0.004979 -0.005558 -0.001094 0.001360 35O 2dx2y2 -0.003568 0.002650 -0.001548 0.001306 0.003887 0.002384 35O 2dxy -0.002816 0.002392 -0.000836 0.000454 0.004545 0.002529 35O 1f0 -0.000203 -0.000206 0.000035 -0.000112 -0.000016 0.000340 35O 1f+1 0.000498 -0.000095 0.000037 0.000224 0.000049 0.000160 35O 1f-1 0.000159 0.000051 0.000025 0.000141 -0.000112 0.000070 35O 1f+2 0.000093 0.000094 -0.000293 0.000276 0.000086 0.000069 35O 1f-2 0.000418 0.000195 0.000134 0.000132 -0.000048 -0.000127 35O 1f+3 0.000481 0.000062 0.000041 0.000212 -0.000003 0.000063 35O 1f-3 0.000136 -0.000185 0.000005 0.000137 -0.000175 -0.000318 138 139 140 141 142 143 0.12526 0.12995 0.13420 0.13484 0.13869 0.14784 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s 0.000601 0.000334 0.002771 -0.002149 -0.006865 0.000737 0Rh 2s -0.002096 -0.001287 -0.009699 0.007925 0.023958 -0.002514 0Rh 3s 0.002195 0.001142 0.010093 -0.007576 -0.025052 0.002725 0Rh 4s 0.009072 0.005634 0.042008 -0.034499 -0.103800 0.010852 0Rh 5s -0.005794 -0.004695 -0.026926 0.025181 0.066702 -0.006169 0Rh 6s -0.021246 -0.009098 -0.098432 0.070033 0.240943 -0.028832 0Rh 7s 0.084367 0.030129 0.152010 0.190024 -1.141542 -0.096018 0Rh 8s -0.115966 -0.181761 0.300272 -1.549699 1.620640 0.983999 0Rh 1pz -0.001843 0.001077 -0.000744 -0.000440 0.002369 0.002595 0Rh 1px 0.001585 0.000061 0.004880 0.004533 -0.008739 -0.000246 0Rh 1py -0.000370 -0.001201 -0.000190 0.003490 -0.002874 0.003585 0Rh 2pz 0.006274 -0.003683 0.002564 0.001470 -0.008008 -0.008930 0Rh 2px -0.005428 -0.000192 -0.016739 -0.015470 0.029588 0.000734 0Rh 2py 0.001285 0.004163 0.000694 -0.011923 0.009763 -0.012315 0Rh 3pz -0.004811 0.003126 -0.002542 -0.000550 0.005049 0.008604 0Rh 3px 0.004766 -0.000136 0.015065 0.012516 -0.019430 0.001479 0Rh 3py -0.001467 -0.004618 -0.001395 0.009881 -0.007012 0.011321 0Rh 4pz -0.010458 0.004998 -0.002070 -0.004738 0.017334 0.008285 0Rh 4px 0.006861 0.001387 0.019831 0.023383 -0.061195 -0.009273 0Rh 4py -0.000503 -0.001406 0.001966 0.017115 -0.018052 0.013706 0Rh 5pz 0.002853 0.001418 -0.003832 0.005539 -0.009507 0.008721 0Rh 5px 0.001435 -0.002298 0.007497 -0.001824 0.031258 0.018616 0Rh 5py -0.001095 -0.009840 -0.006815 0.001674 0.006009 0.010274 0Rh 6pz -0.001629 -0.071016 0.028073 -0.006653 -0.064554 -0.020877 0Rh 6px -0.037472 0.067189 -0.119603 -0.033272 0.104677 -0.277542 0Rh 6py 0.007063 0.016908 0.042156 -0.100783 0.022715 -0.026753 0Rh 1dz2 -0.000874 0.001827 -0.003650 -0.002553 0.011870 0.001263 0Rh 1dxz 0.000495 -0.004033 -0.007116 -0.001778 0.016467 0.001618 0Rh 1dyz 0.001531 0.007081 -0.002951 0.000355 0.003919 -0.003532 0Rh 1dx2y2 0.003822 -0.000161 0.006314 0.008387 -0.023684 -0.007629 0Rh 1dxy 0.003159 -0.001203 0.003796 0.001575 -0.005134 0.007549 0Rh 2dz2 0.000096 -0.000053 0.000087 0.000108 -0.000474 -0.000018 0Rh 2dxz -0.000037 0.000399 0.000362 0.000077 -0.000668 -0.000004 0Rh 2dyz 0.000243 -0.000455 0.000049 -0.000054 -0.000207 0.000118 0Rh 2dx2y2 -0.000086 0.000195 -0.000272 -0.000512 0.000854 0.000267 0Rh 2dxy -0.000137 0.000092 -0.000019 -0.000084 0.000329 -0.000278 0Rh 3dz2 0.001125 -0.002906 0.005982 0.003974 -0.018673 -0.002112 0Rh 3dxz -0.000706 0.005399 0.010887 0.002798 -0.025887 -0.002817 0Rh 3dyz -0.003610 -0.010394 0.004904 -0.000425 -0.005916 0.005697 0Rh 3dx2y2 -0.006273 -0.000504 -0.009815 -0.012544 0.037543 0.012239 0Rh 3dxy -0.004915 0.001741 -0.006508 -0.002456 0.007561 -0.012045 0Rh 4dz2 0.002483 -0.003288 0.006156 0.005154 -0.023098 -0.002194 0Rh 4dxz -0.001156 0.010677 0.014580 0.003696 -0.032130 -0.002330 0Rh 4dyz 0.000703 -0.015616 0.004847 -0.001150 -0.008255 0.006387 0Rh 4dx2y2 -0.006477 0.002613 -0.012237 -0.018706 0.045264 0.014303 0Rh 4dxy -0.006317 0.002961 -0.005566 -0.003071 0.011539 -0.014284 0Rh 5dz2 -0.003135 -0.003662 0.010470 0.002866 -0.007442 -0.001967 0Rh 5dxz 0.000766 -0.007220 0.008712 -0.001275 -0.011779 -0.008521 0Rh 5dyz -0.019152 -0.006032 0.007301 0.002639 0.000807 0.011812 0Rh 5dx2y2 -0.010778 -0.011539 -0.014055 0.002924 0.022106 0.016875 0Rh 5dxy -0.003491 -0.001993 -0.014704 -0.004471 -0.003609 -0.015307 0Rh 1f0 -0.000023 -0.001564 0.000042 0.002025 0.000889 0.001618 0Rh 1f+1 0.000769 -0.000049 -0.000180 0.000828 -0.000853 0.000776 0Rh 1f-1 0.001111 -0.000105 -0.000063 0.002333 -0.000200 0.004430 0Rh 1f+2 0.000688 -0.001213 0.000713 -0.001057 -0.001056 -0.001087 0Rh 1f-2 -0.001256 -0.000837 0.000292 0.001456 -0.000409 0.002952 0Rh 1f+3 -0.001289 0.001564 0.000002 -0.001505 -0.001202 -0.000860 0Rh 1f-3 0.000434 -0.001641 -0.000575 0.000374 -0.000917 0.002135 1Rh 1s 0.000622 -0.000224 0.001672 0.003041 -0.006869 -0.000760 1Rh 2s -0.002167 0.000903 -0.005696 -0.011021 0.023978 0.002597 1Rh 3s 0.002270 -0.000741 0.006186 0.010844 -0.025065 -0.002806 1Rh 4s 0.009379 -0.003973 0.024604 0.047894 -0.103889 -0.011216 1Rh 5s -0.005976 0.003630 -0.014603 -0.033561 0.066795 0.006441 1Rh 6s -0.022028 0.005225 -0.061743 -0.102130 0.241015 0.029539 1Rh 7s 0.082952 -0.019210 0.220454 -0.110962 -1.141939 0.091551 1Rh 8s -0.097944 0.172866 -0.390134 1.519570 1.626946 -0.974655 1Rh 1pz 0.001851 0.001245 0.000802 -0.000178 -0.002442 0.002597 1Rh 1px -0.001570 -0.000243 -0.006323 0.002274 0.008699 -0.000142 1Rh 1py 0.000466 -0.001173 -0.001214 0.003283 0.002877 0.003615 1Rh 2pz -0.006305 -0.004260 -0.002744 0.000567 0.008261 -0.008938 1Rh 2px 0.005378 0.000847 0.021654 -0.007732 -0.029450 0.000375 1Rh 2py -0.001615 0.004068 0.004104 -0.011237 -0.009774 -0.012418 1Rh 3pz 0.004861 0.003632 0.002336 0.000299 -0.005266 0.008609 1Rh 3px -0.004744 -0.001052 -0.018877 0.005729 0.019295 0.001787 1Rh 3py 0.001778 -0.004489 -0.002604 0.009659 0.007023 0.011440 1Rh 4pz 0.010410 0.005727 0.003721 -0.003826 -0.017664 0.008298 1Rh 4px -0.006713 0.000088 -0.027858 0.013575 0.061081 -0.008795 1Rh 4py 0.000825 -0.001443 -0.008773 0.014878 0.018054 0.013733 1Rh 5pz -0.002642 0.001647 0.000840 0.006456 0.009409 0.008751 1Rh 5px -0.001584 -0.002615 -0.005811 -0.004175 -0.031440 0.018688 1Rh 5py 0.001471 -0.009572 0.005902 0.004367 -0.005970 0.010553 1Rh 6pz 0.000111 -0.074407 -0.015909 -0.016283 0.064302 -0.020103 1Rh 6px 0.038788 0.073409 0.115593 0.012791 -0.102262 -0.279557 1Rh 6py -0.007260 0.015993 -0.000588 -0.109723 -0.022246 -0.028299 1Rh 1dz2 -0.000914 -0.002092 -0.004364 0.000974 0.011844 -0.001337 1Rh 1dxz 0.000423 0.003849 -0.007482 -0.001263 0.016479 -0.001431 1Rh 1dyz 0.001475 -0.007128 -0.002369 -0.001514 0.003902 0.003296 1Rh 1dx2y2 0.003733 0.000652 0.009190 -0.005315 -0.023709 0.007501 1Rh 1dxy 0.003017 0.001560 0.004192 -0.000014 -0.005144 -0.007643 1Rh 2dz2 0.000102 0.000065 0.000122 -0.000065 -0.000469 0.000020 1Rh 2dxz -0.000019 -0.000384 0.000385 0.000070 -0.000669 -0.000000 1Rh 2dyz 0.000245 0.000467 0.000012 0.000062 -0.000207 -0.000096 1Rh 2dx2y2 -0.000073 -0.000209 -0.000442 0.000365 0.000855 -0.000264 1Rh 2dxy -0.000127 -0.000104 -0.000051 0.000069 0.000329 0.000296 1Rh 3dz2 0.001170 0.003316 0.007075 -0.001407 -0.018647 0.002232 1Rh 3dxz -0.000654 -0.005143 0.011436 0.001890 -0.025906 0.002509 1Rh 3dyz -0.003522 0.010426 0.004039 0.002393 -0.005890 -0.005374 1Rh 3dx2y2 -0.006174 -0.000291 -0.014143 0.007817 0.037583 -0.012028 1Rh 3dxy -0.004706 -0.002311 -0.007093 -0.000197 0.007577 0.012133 1Rh 4dz2 0.002608 0.003811 0.007683 -0.002399 -0.022999 0.002297 1Rh 4dxz -0.000842 -0.010226 0.015481 0.002458 -0.032154 0.002014 1Rh 4dyz 0.000811 0.015835 0.003554 0.002933 -0.008221 -0.005868 1Rh 4dx2y2 -0.006179 -0.003482 -0.018624 0.012528 0.045310 -0.014091 1Rh 4dxy -0.005996 -0.003629 -0.006444 0.000710 0.011561 0.014619 1Rh 5dz2 -0.003243 0.004080 0.010917 0.001112 -0.007575 0.002666 1Rh 5dxz 0.000125 0.007190 0.007129 0.004889 -0.011849 0.008037 1Rh 5dyz -0.019144 0.005595 0.007685 0.000683 0.000794 -0.010642 1Rh 5dx2y2 -0.011266 0.010343 -0.012577 -0.007804 0.022141 -0.016402 1Rh 5dxy -0.003443 0.001400 -0.015630 -0.001435 -0.003624 0.015201 1Rh 1f0 0.000117 -0.001606 -0.000802 0.001850 -0.000879 0.001591 1Rh 1f+1 -0.000740 -0.000040 -0.000172 0.000829 0.000819 0.000816 1Rh 1f-1 -0.001059 -0.000191 -0.000944 0.002156 0.000156 0.004400 1Rh 1f+2 -0.000684 -0.001226 -0.000141 -0.001211 0.001133 -0.001138 1Rh 1f-2 0.001351 -0.000805 -0.000852 0.001191 0.000438 0.003029 1Rh 1f+3 0.001233 0.001594 0.000563 -0.001417 0.001161 -0.000884 1Rh 1f-3 -0.000360 -0.001661 0.000398 0.000577 0.000923 0.002093 2C 1s 0.000937 0.003116 0.003158 -0.004504 -0.009441 -0.003456 2C 2s 0.001864 0.007180 0.007143 -0.009915 -0.021141 -0.008247 2C 3s 0.002375 -0.023673 -0.019146 0.023380 0.032296 0.037315 2C 4s -0.045824 0.053269 0.012250 -0.014566 0.055566 -0.149348 2C 5s -0.086886 -0.215487 -0.198950 0.754764 0.971855 1.494486 2C 1pz -0.018505 -0.016113 -0.076013 0.034179 0.036369 -0.007762 2C 1px -0.095793 0.072383 0.000092 0.010561 -0.018026 -0.006507 2C 1py 0.091395 0.002412 0.132360 -0.092420 0.041432 -0.021628 2C 2pz -0.030570 0.016993 -0.029027 0.018896 0.076337 0.000444 2C 2px -0.035612 0.031719 0.000702 0.002931 0.003988 -0.001896 2C 2py 0.019051 0.000082 0.033508 -0.027082 0.052503 -0.000170 2C 3pz -0.079071 -0.250588 -0.649901 0.574474 0.677197 0.536303 2C 3px -0.597045 0.351739 -0.024427 -0.024588 0.023905 0.275791 2C 3py 0.442248 0.040078 0.886490 -0.399365 0.612950 0.296963 2C 1dz2 -0.000824 0.000830 0.000207 -0.000512 -0.005853 -0.004779 2C 1dxz -0.008495 0.004313 -0.003730 -0.000015 -0.006372 -0.000763 2C 1dyz 0.002308 0.000583 0.000723 -0.001806 -0.009310 -0.009031 2C 1dx2y2 0.002546 -0.004457 -0.005468 0.005737 0.004240 0.000978 2C 1dxy 0.001894 0.003716 0.010465 -0.007403 -0.002057 -0.002379 2C 2dz2 -0.017801 -0.000295 -0.018955 0.022080 0.016480 0.014810 2C 2dxz -0.067508 0.029354 -0.026803 0.028635 -0.000895 0.008282 2C 2dyz 0.005646 -0.027616 -0.026851 0.024776 0.034078 0.040636 2C 2dx2y2 0.012530 -0.019698 -0.020854 0.002323 -0.004698 -0.009343 2C 2dxy 0.035779 0.000721 0.055408 -0.036442 0.012019 0.003851 2C 1f0 -0.001986 -0.001421 -0.005502 0.002883 0.000076 -0.000621 2C 1f+1 0.004030 -0.001551 0.002876 -0.002259 0.001750 0.001391 2C 1f-1 -0.001851 0.001206 0.000703 0.000916 0.003616 0.001053 2C 1f+2 -0.002933 0.001875 0.000273 0.001005 -0.001476 0.000204 2C 1f-2 -0.003983 0.002594 -0.000851 0.000012 -0.000488 -0.002811 2C 1f+3 -0.004847 -0.000882 -0.006325 0.005297 0.001437 0.004468 2C 1f-3 0.004319 -0.003350 -0.000360 -0.000511 0.001393 0.002563 3C 1s 0.001106 -0.005222 0.002706 -0.000019 -0.009784 0.006828 3C 2s 0.002650 -0.011683 0.005990 -0.000036 -0.021885 0.015464 3C 3s -0.010381 0.031873 -0.009975 -0.001718 0.031940 -0.038081 3C 4s 0.031808 -0.033532 -0.028406 0.011576 0.059461 0.100967 3C 5s -0.008896 0.847685 -0.025996 -0.288909 1.268980 -2.373038 3C 1pz -0.104959 -0.113384 0.078019 0.046014 0.039512 -0.071437 3C 1px 0.009058 -0.082579 0.070500 -0.039700 0.023163 -0.010949 3C 1py -0.041652 -0.057161 0.060729 -0.006779 -0.025573 -0.003954 3C 2pz -0.020317 -0.025064 0.007290 0.021839 0.050358 -0.039716 3C 2px 0.005183 -0.020375 0.020017 -0.020312 0.037777 -0.017201 3C 2py -0.032517 -0.024117 0.029456 0.001601 -0.081746 0.038953 3C 3pz -0.562680 -0.575471 0.608884 0.259526 0.635486 -1.245557 3C 3px 0.054252 -0.453302 0.435705 -0.418774 0.396888 -0.400187 3C 3py -0.197360 -0.723081 0.538208 -0.025461 -0.771556 1.110087 3C 1dz2 0.000759 0.004968 -0.005342 0.000647 0.001176 -0.001787 3C 1dxz 0.000407 -0.008465 0.008244 -0.006546 -0.002348 0.006945 3C 1dyz 0.002941 0.005592 -0.003029 -0.003577 0.009581 -0.009508 3C 1dx2y2 -0.004529 -0.004142 0.005109 0.000677 0.008686 -0.014231 3C 1dxy -0.003500 -0.001664 0.001093 0.002133 0.006676 -0.012200 3C 2dz2 0.016064 0.023212 -0.021151 0.002503 -0.012088 0.023441 3C 2dxz 0.001259 -0.029020 0.027860 -0.019974 0.016548 -0.017747 3C 2dyz 0.040366 -0.004666 0.006535 -0.020136 -0.038615 0.044517 3C 2dx2y2 -0.047856 -0.061137 0.036815 0.012465 -0.017485 0.014855 3C 2dxy -0.031851 -0.042751 0.025437 0.017173 -0.016916 0.011017 3C 1f0 -0.005998 -0.008188 0.005100 0.001884 -0.002753 0.001608 3C 1f+1 -0.003207 -0.000269 -0.000602 0.001799 -0.000090 0.000150 3C 1f-1 0.003702 0.002107 -0.001659 -0.000829 -0.001856 0.002734 3C 1f+2 -0.001041 0.002797 -0.000586 -0.000373 -0.000955 -0.001005 3C 1f-2 0.000874 0.000266 0.000792 -0.000836 -0.001482 -0.000038 3C 1f+3 -0.003084 -0.003851 0.003145 -0.000446 0.003629 -0.004379 3C 1f-3 0.002582 -0.002326 0.002168 -0.001991 -0.001709 0.002268 4C 1s 0.002473 -0.003617 -0.000749 0.000996 0.012567 0.004897 4C 2s 0.005485 -0.008013 -0.000969 0.001956 0.027843 0.010312 4C 3s -0.014922 0.014949 -0.012999 0.000816 -0.011239 -0.014009 4C 4s 0.036238 0.036644 0.102937 -0.052942 -0.287133 -0.075493 4C 5s 0.113506 -0.049358 -0.268364 -0.128513 -1.897553 -0.205975 4C 1pz 0.012899 -0.007447 0.013378 0.012861 0.067797 0.040493 4C 1px -0.010914 0.015543 0.031557 -0.028501 0.006651 0.008152 4C 1py -0.016644 -0.017367 -0.065798 0.038694 0.027627 0.043205 4C 2pz -0.030476 -0.008895 -0.012684 0.075700 0.131675 0.122898 4C 2px -0.015427 0.000350 -0.022493 -0.030719 -0.004976 0.063086 4C 2py -0.006176 -0.060217 -0.094000 0.074343 0.064840 0.120909 4C 3pz 0.189432 0.001806 0.203215 0.148375 0.188317 0.597471 4C 3px 0.140696 -0.055694 -0.059574 0.017747 -0.104633 0.067312 4C 3py -0.158467 0.088839 -0.297682 0.302949 -0.005640 0.394915 4C 1dz2 0.000367 0.002156 0.004118 -0.004058 0.002772 0.000255 4C 1dxz 0.002517 -0.002505 -0.003277 0.003075 0.001719 0.001887 4C 1dyz -0.000072 0.000428 -0.000144 -0.001531 0.005522 -0.005245 4C 1dx2y2 0.002146 -0.000825 0.003606 -0.001733 0.000332 -0.002498 4C 1dxy 0.004051 -0.001715 0.001648 -0.000792 0.002735 -0.003377 4C 2dz2 0.009421 0.005692 0.023223 -0.009257 -0.002470 -0.025727 4C 2dxz 0.022598 -0.021351 -0.009813 -0.014602 0.012597 0.003421 4C 2dyz 0.015555 -0.003034 0.009615 -0.002116 -0.021956 -0.008852 4C 2dx2y2 0.006779 0.005160 0.003713 -0.004164 -0.021918 0.004119 4C 2dxy 0.011218 -0.015887 -0.023402 0.000209 -0.021806 0.013071 4C 1f0 -0.000739 -0.001502 -0.003579 0.002973 0.001521 0.001202 4C 1f+1 -0.000522 -0.000227 -0.000228 0.000608 0.002575 0.002445 4C 1f-1 -0.000962 0.000843 0.000610 0.000650 0.003318 0.000900 4C 1f+2 -0.002348 0.001566 -0.000270 0.000073 -0.003467 -0.001390 4C 1f-2 -0.002538 0.001253 -0.002190 0.000375 0.000066 0.000763 4C 1f+3 0.000408 -0.000305 0.000708 0.000179 -0.000085 0.000800 4C 1f-3 -0.001009 0.001196 0.000960 0.000363 0.002157 -0.001095 5C 1s -0.002002 0.000769 -0.000637 0.003643 0.013350 -0.017103 5C 2s -0.004260 0.001185 -0.000848 0.008304 0.029527 -0.038091 5C 3s 0.004615 0.005447 -0.013612 -0.020059 -0.008007 0.066549 5C 4s 0.002452 -0.081857 0.109289 -0.010352 -0.325606 0.145172 5C 5s -0.075405 0.062698 -0.218003 -0.021109 -2.129204 1.734577 5C 1pz 0.006926 0.056995 -0.063102 0.002426 0.025610 -0.008374 5C 1px 0.000684 0.010634 0.000243 -0.029783 0.027487 -0.014900 5C 1py 0.015821 0.005713 -0.020402 0.000531 -0.070634 0.106259 5C 2pz 0.000791 0.085660 -0.095246 0.009007 0.057431 -0.069873 5C 2px -0.026116 0.046208 0.011862 -0.010790 0.076019 -0.019618 5C 2py -0.020207 -0.068604 0.018032 0.020177 -0.133874 0.245693 5C 3pz 0.216458 0.355023 -0.191907 -0.208666 0.076199 -0.686964 5C 3px -0.063143 0.204249 0.076145 0.083749 0.182237 -0.407871 5C 3py 0.153335 -0.017224 -0.174721 0.085077 -0.272492 1.207250 5C 1dz2 0.002928 0.005630 -0.003557 -0.003472 -0.001969 0.001925 5C 1dxz -0.000359 0.001727 -0.002631 0.000529 0.000621 0.000095 5C 1dyz -0.000197 0.003977 -0.001925 0.000020 -0.005414 -0.000651 5C 1dx2y2 0.000420 0.001347 -0.001321 0.003197 -0.002772 -0.000657 5C 1dxy 0.001113 -0.001748 0.003463 -0.004141 -0.001952 0.000327 5C 2dz2 0.012921 -0.002414 -0.003855 -0.006155 0.020394 0.008027 5C 2dxz -0.008718 0.009445 0.000138 0.003551 0.011584 0.019083 5C 2dyz -0.002945 0.011515 -0.010499 -0.000448 0.041916 -0.001065 5C 2dx2y2 0.006216 0.029762 -0.013571 0.009030 -0.005434 -0.010306 5C 2dxy 0.025233 0.005675 -0.013290 -0.012007 -0.004216 -0.011294 5C 1f0 -0.000509 -0.000390 0.001203 -0.000053 -0.000501 0.000575 5C 1f+1 0.000954 0.000369 -0.000116 -0.001582 0.001268 -0.001884 5C 1f-1 0.002215 0.003211 -0.001948 -0.000596 -0.000498 0.001539 5C 1f+2 -0.001326 -0.001858 0.001008 0.000637 -0.002409 0.003655 5C 1f-2 0.001715 -0.000113 -0.000931 -0.000229 -0.004524 0.001076 5C 1f+3 0.000602 -0.000978 0.000886 -0.001985 0.004229 -0.000626 5C 1f-3 0.000534 -0.001866 0.002142 -0.000957 -0.002486 -0.000525 6C 1s -0.001990 -0.000914 0.000747 -0.003586 0.013321 0.016332 6C 2s -0.004260 -0.001482 0.002250 -0.007960 0.029455 0.036398 6C 3s 0.005046 -0.005626 -0.019809 0.013367 -0.007972 -0.064988 6C 4s -0.001198 0.085905 0.094689 0.050926 -0.325339 -0.132356 6C 5s -0.074416 -0.057903 -0.195177 -0.049819 -2.120737 -1.626553 6C 1pz -0.008840 0.059151 0.054963 0.027180 -0.026226 -0.006364 6C 1px -0.001710 0.010814 0.011770 -0.027412 -0.027739 -0.013447 6C 1py -0.015841 0.005656 0.017184 0.009109 0.070819 0.103015 6C 2pz -0.003825 0.087700 0.080529 0.045572 -0.059129 -0.065083 6C 2px 0.024517 0.047826 -0.006711 -0.016420 -0.076629 -0.017528 6C 2py 0.023612 -0.069395 -0.024867 0.011742 0.134880 0.236980 6C 3pz -0.236622 0.364709 0.256835 -0.113887 -0.077879 -0.629788 6C 3px 0.060888 0.212728 -0.108076 0.037636 -0.181229 -0.374343 6C 3py -0.146498 -0.020221 0.116674 0.154921 0.274838 1.116889 6C 1dz2 0.003217 -0.005676 -0.004470 0.001810 -0.001884 -0.001952 6C 1dxz -0.000344 -0.001806 -0.002107 -0.001470 0.000650 -0.000113 6C 1dyz -0.000053 -0.003972 -0.001629 -0.000655 -0.005309 0.000708 6C 1dx2y2 0.000354 -0.001397 0.000118 -0.003505 -0.002797 0.000758 6C 1dxy 0.001197 0.001949 0.001441 0.005142 -0.001912 -0.000312 6C 2dz2 0.012898 0.003079 -0.005700 0.003540 0.020417 -0.008097 6C 2dxz -0.008691 -0.010376 0.001440 -0.002999 0.011617 -0.017657 6C 2dyz -0.002654 -0.012043 -0.009392 -0.003449 0.041999 0.000082 6C 2dx2y2 0.006863 -0.030602 -0.007869 -0.013207 -0.005355 0.008171 6C 2dxy 0.026362 -0.005042 -0.016328 0.005300 -0.004221 0.009164 6C 1f0 0.000537 -0.000397 -0.001042 -0.000531 0.000510 0.000368 6C 1f+1 -0.001023 0.000376 0.000769 -0.001378 -0.001245 -0.001839 6C 1f-1 -0.002345 0.003295 0.001940 0.000253 0.000494 0.001543 6C 1f+2 0.001370 -0.001903 -0.001138 0.000166 0.002370 0.003439 6C 1f-2 -0.001715 -0.000162 0.000915 0.000223 0.004531 0.000940 6C 1f+3 -0.000639 -0.001033 0.000033 -0.002131 -0.004236 -0.000461 6C 1f-3 -0.000531 -0.001937 -0.001484 -0.001710 0.002501 -0.000626 7C 1s 0.002468 0.003853 -0.000407 -0.001364 0.012553 -0.004184 7C 2s 0.005488 0.008557 -0.000384 -0.002536 0.027804 -0.008751 7C 3s -0.014866 -0.016278 -0.010716 -0.005072 -0.011176 0.012909 7C 4s 0.036252 -0.035194 0.071631 0.087890 -0.287077 0.061807 7C 5s 0.097925 0.030209 -0.301686 0.035889 -1.894667 0.092801 7C 1pz -0.012516 -0.008592 -0.018566 0.006260 -0.068387 0.036433 7C 1px 0.010785 0.015984 -0.018250 -0.039004 -0.006661 0.007217 7C 1py 0.017863 -0.015567 0.045710 0.062431 -0.027775 0.041330 7C 2pz 0.031828 -0.009431 -0.021531 0.073757 -0.133647 0.112554 7C 2px 0.014826 0.002843 0.032655 -0.022148 0.004591 0.063479 7C 2py 0.009495 -0.057456 0.057231 0.106147 -0.065437 0.116757 7C 3pz -0.188781 -0.019061 -0.254562 0.066035 -0.193021 0.505245 7C 3px -0.142247 -0.054176 0.041562 0.031723 0.105979 0.057016 7C 3py 0.155028 0.088494 0.147015 0.398628 -0.000005 0.338195 7C 1dz2 0.000416 -0.002167 0.002245 0.005327 0.002751 -0.000157 7C 1dxz 0.002493 0.002616 -0.001769 -0.004047 0.001747 -0.001843 7C 1dyz 0.000052 -0.000375 -0.000871 0.001224 0.005444 0.005302 7C 1dx2y2 0.002172 0.001023 0.002527 0.002916 0.000273 0.002407 7C 1dxy 0.004198 0.002025 0.001130 0.001319 0.002708 0.003351 7C 2dz2 0.008657 -0.005216 0.017567 0.016657 -0.002512 0.024410 7C 2dxz 0.022657 0.021723 -0.015552 0.010027 0.012681 -0.005615 7C 2dyz 0.015337 0.003897 0.007538 0.005325 -0.022079 0.006929 7C 2dx2y2 0.007511 -0.004857 0.002219 0.005731 -0.021727 -0.002829 7C 2dxy 0.011188 0.016112 -0.022186 -0.009215 -0.021681 -0.013846 7C 1f0 0.000781 -0.001494 0.002153 0.004173 -0.001491 0.001148 7C 1f+1 0.000560 -0.000182 -0.000065 0.000647 -0.002563 0.002349 7C 1f-1 0.000916 0.000795 -0.000856 0.000411 -0.003327 0.000562 7C 1f+2 0.002310 0.001647 0.000245 0.000173 0.003484 -0.001272 7C 1f-2 0.002523 0.001393 0.001877 0.001166 -0.000079 0.000713 7C 1f+3 -0.000306 -0.000256 -0.000698 -0.000057 0.000133 0.000755 7C 1f-3 0.001000 0.001146 -0.001073 -0.000008 -0.002199 -0.001183 8C 1s 0.000851 0.005427 0.002500 0.001013 -0.009869 -0.006667 8C 2s 0.002066 0.012148 0.005542 0.002232 -0.022082 -0.015098 8C 3s -0.008511 -0.032880 -0.009948 -0.001785 0.032753 0.037871 8C 4s 0.028442 0.033392 -0.020971 -0.022933 0.057334 -0.100074 8C 5s 0.043160 -0.866557 -0.141111 0.265072 1.283131 2.217084 8C 1pz 0.110085 -0.114477 -0.085965 0.009425 -0.038895 -0.071943 8C 1px -0.009318 -0.086289 -0.046157 -0.063590 -0.023038 -0.009758 8C 1py 0.042427 -0.059765 -0.051034 -0.031609 0.024972 -0.005834 8C 2pz 0.021454 -0.024897 -0.014688 0.016397 -0.049937 -0.036844 8C 2px -0.005510 -0.021345 -0.009963 -0.026594 -0.037744 -0.014705 8C 2py 0.032852 -0.025018 -0.026514 -0.011464 0.080930 0.033292 8C 3pz 0.589640 -0.583191 -0.635802 -0.013625 -0.631018 -1.206902 8C 3px -0.063294 -0.473323 -0.206001 -0.549483 -0.398927 -0.370411 8C 3py 0.220110 -0.749553 -0.467955 -0.237381 0.774023 1.032291 8C 1dz2 0.000934 -0.005095 -0.004469 -0.002594 0.001229 0.001622 8C 1dxz 0.000318 0.008997 0.004760 0.009223 -0.002322 -0.006598 8C 1dyz 0.003286 -0.005587 -0.004103 0.002121 0.009683 0.008878 8C 1dx2y2 -0.004623 0.004087 0.004623 0.001410 0.008644 0.013773 8C 1dxy -0.003652 0.001651 0.001731 -0.001516 0.006692 0.011916 8C 2dz2 0.016736 -0.023506 -0.017177 -0.010573 -0.012096 -0.023166 8C 2dxz 0.000825 0.031865 0.017386 0.029264 0.016905 0.016831 8C 2dyz 0.040426 0.006081 -0.001473 0.020096 -0.038965 -0.042965 8C 2dx2y2 -0.049901 0.061372 0.036567 0.003385 -0.017703 -0.012851 8C 2dxy -0.034404 0.043582 0.029351 -0.005457 -0.017095 -0.009029 8C 1f0 0.006350 -0.008298 -0.005196 -0.000325 0.002792 0.001393 8C 1f+1 0.003235 0.000021 -0.000051 0.001828 0.000065 0.000051 8C 1f-1 -0.003779 0.002207 0.001798 -0.000028 0.001903 0.002704 8C 1f+2 0.000865 0.002909 0.000682 -0.000166 0.000901 -0.001044 8C 1f-2 -0.000892 0.000183 -0.000420 -0.001069 0.001404 -0.000180 8C 1f+3 0.003187 -0.003942 -0.002555 -0.001678 -0.003675 -0.004269 8C 1f-3 -0.002554 -0.002564 -0.001207 -0.002614 0.001707 0.002180 9C 1s 0.001173 -0.003080 0.000989 0.005401 -0.009509 0.003215 9C 2s 0.002404 -0.007100 0.002355 0.011973 -0.021305 0.007700 9C 3s 0.000486 0.023375 -0.007771 -0.029141 0.033049 -0.036661 9C 4s -0.041717 -0.053652 0.006286 0.019060 0.053128 0.148609 9C 5s -0.108579 0.226214 0.143902 -0.783111 0.991780 -1.332836 9C 1pz 0.017526 -0.016503 0.058889 0.062803 -0.035760 -0.008352 9C 1px 0.096744 0.077578 -0.005060 0.010548 0.018553 -0.007415 9C 1py -0.091479 -0.000921 -0.085904 -0.136429 -0.041351 -0.023073 9C 2pz 0.028250 0.016944 0.019147 0.029042 -0.076038 -0.005276 9C 2px 0.035778 0.034018 -0.002727 0.002350 -0.003890 -0.003021 9C 2py -0.019626 -0.000650 -0.020727 -0.037768 -0.052473 -0.004105 9C 3pz 0.081906 -0.255089 0.376294 0.797769 -0.676498 0.466267 9C 3px 0.604983 0.381397 0.036759 -0.002582 -0.021464 0.258318 9C 3py -0.444397 0.010854 -0.667981 -0.711826 -0.619590 0.243646 9C 1dz2 -0.000693 -0.000805 -0.000016 0.000638 -0.005818 0.004313 9C 1dxz -0.008634 -0.004965 -0.003413 -0.001317 -0.006442 0.000436 9C 1dyz 0.002311 -0.000511 -0.000191 0.001874 -0.009422 0.008348 9C 1dx2y2 0.002368 0.004691 -0.003031 -0.007782 0.004227 -0.000836 9C 1dxy 0.002107 -0.003494 0.006756 0.010813 -0.001999 0.002355 9C 2dz2 -0.017214 0.000013 -0.007734 -0.026620 0.016776 -0.013085 9C 2dxz -0.067732 -0.032305 -0.012291 -0.036341 -0.000951 -0.006682 9C 2dyz 0.003825 0.027617 -0.015243 -0.034159 0.034430 -0.038503 9C 2dx2y2 0.011113 0.020604 -0.020762 -0.012293 -0.005173 0.007898 9C 2dxy 0.036017 0.001039 0.036643 0.054630 0.012326 -0.003249 9C 1f0 0.002045 -0.001393 0.004095 0.004886 -0.000011 -0.000591 9C 1f+1 -0.004027 -0.001754 -0.001684 -0.003141 -0.001749 0.001298 9C 1f-1 0.001750 0.001221 -0.001142 0.000508 -0.003661 0.000831 9C 1f+2 0.002864 0.001923 -0.000763 0.000781 0.001405 0.000344 9C 1f-2 0.003896 0.002722 0.000778 0.000369 0.000521 -0.002792 9C 1f+3 0.005108 -0.000561 0.003670 0.007323 -0.001440 0.004250 9C 1f-3 -0.004115 -0.003565 0.000729 -0.000040 -0.001481 0.002736 10H 1s 0.018412 -0.014595 -0.006850 0.012302 0.015490 -0.000479 10H 2s -0.071276 0.048199 -0.010949 0.091341 0.037380 0.000817 10H 3s 0.962503 -0.628174 -0.118734 -0.031811 0.246105 -0.303011 10H 1pz -0.014292 0.007375 -0.004025 0.007617 0.003692 0.006687 10H 1px 0.018966 -0.013392 -0.002978 -0.004881 0.005131 -0.001795 10H 1py -0.001576 0.003982 0.008065 -0.002495 0.004736 0.002940 11H 1s -0.015230 0.002393 -0.015529 0.008374 0.004057 0.009405 11H 2s 0.141086 -0.070674 0.061224 -0.058413 0.058920 0.076800 11H 3s -1.143580 0.341836 -1.144432 0.596429 -0.292058 -0.084339 11H 1pz 0.020959 -0.010847 0.009717 -0.004778 0.012284 0.007436 11H 1px 0.018858 -0.006087 0.018754 -0.013082 0.005311 0.006426 11H 1py -0.014934 0.006108 -0.010288 0.006117 0.001332 0.000394 12H 1s 0.000894 0.008499 0.021280 -0.018020 0.006173 0.007724 12H 2s -0.095504 -0.023475 -0.127758 0.065731 0.027792 0.091198 12H 3s 0.413099 0.517124 1.594947 -1.101516 0.059664 -0.285097 12H 1pz 0.004266 0.000320 0.007015 -0.002715 0.008771 0.002901 12H 1px -0.010379 -0.003791 -0.019440 0.011087 -0.000697 0.007609 12H 1py -0.010044 -0.011592 -0.032122 0.022821 0.005088 0.011437 13H 1s -0.008585 0.005531 -0.009993 0.020271 0.006948 -0.026490 13H 2s 0.083721 0.045256 -0.022000 0.001839 0.025541 -0.103833 13H 3s -0.600333 -0.100545 -0.138926 0.759425 0.006259 -0.407274 13H 1pz 0.009451 -0.001873 0.007220 -0.009989 0.005301 -0.007443 13H 1px -0.013301 -0.006463 0.002556 0.008857 0.004674 -0.007962 13H 1py -0.007609 -0.007133 0.003327 0.005299 -0.007244 0.007655 14H 1s -0.005606 -0.020480 0.021603 -0.012068 0.014076 -0.016061 14H 2s 0.070135 0.146744 -0.075972 -0.041687 0.043849 -0.024967 14H 3s -0.481854 -1.652756 1.305050 -0.218359 0.220156 -0.324000 14H 1pz 0.004078 0.018000 -0.011728 0.004371 0.003645 -0.007539 14H 1px 0.013151 0.036732 -0.026444 -0.000392 -0.000142 0.004780 14H 1py 0.002702 0.004159 -0.002341 -0.000862 -0.008662 0.010921 15H 1s 0.011086 0.015236 -0.012340 -0.005525 0.007853 -0.003046 15H 2s -0.149950 -0.070112 0.036940 0.028787 0.068955 -0.080348 15H 3s 1.023034 0.975001 -0.952412 -0.299911 -0.227792 0.748412 15H 1pz 0.019119 0.015789 -0.013808 -0.004541 0.000057 0.003658 15H 1px -0.005886 -0.007913 0.007480 -0.002641 0.005065 -0.005419 15H 1py 0.023244 0.012541 -0.010216 -0.007841 -0.012696 0.022803 16H 1s -0.010748 0.007933 0.002536 0.007907 -0.005197 -0.012286 16H 2s -0.018266 0.019980 0.006584 -0.015077 0.021638 -0.027517 16H 3s -0.292893 0.219993 0.048224 0.346266 -0.305621 -0.239110 16H 1pz 0.008174 -0.005022 -0.000925 -0.009961 0.007295 0.004668 16H 1px -0.001165 0.000814 0.000755 0.000393 -0.001671 -0.002601 16H 1py 0.004770 -0.003039 -0.000580 -0.003790 0.002824 0.001936 17H 1s 0.010960 -0.004657 -0.005125 0.014248 -0.005665 -0.009045 17H 2s 0.014887 -0.006973 -0.011652 0.004895 0.016661 -0.023232 17H 3s 0.341602 -0.164454 -0.156676 0.469630 -0.302505 -0.214159 17H 1pz 0.005085 -0.003422 -0.002841 0.007790 -0.003479 -0.002475 17H 1px 0.006695 -0.002951 -0.002614 0.009098 -0.005809 -0.003641 17H 1py -0.006366 0.003746 0.002972 -0.007119 0.003365 0.002641 18H 1s 0.010893 0.005128 0.000979 -0.015225 -0.005562 0.008697 18H 2s 0.015280 0.007521 -0.009405 -0.009651 0.016678 0.022244 18H 3s 0.337916 0.179588 0.044615 -0.494838 -0.301464 0.209786 18H 1pz -0.005150 -0.003720 -0.000498 0.008461 0.003526 -0.002523 18H 1px -0.006635 -0.003268 -0.001262 0.009447 0.005733 -0.003520 18H 1py 0.006105 0.003902 0.000055 -0.007490 -0.003207 0.002447 19H 1s -0.010817 -0.008352 0.006091 -0.005964 -0.005348 0.012539 19H 2s -0.018091 -0.020948 0.001191 0.016326 0.021006 0.029988 19H 3s -0.296835 -0.229295 0.200853 -0.289450 -0.308510 0.238359 19H 1pz -0.008177 -0.005251 0.005212 -0.008429 -0.007263 0.004497 19H 1px 0.001222 0.000895 -0.000933 0.000077 0.001760 -0.002644 19H 1py -0.005020 -0.003351 0.002376 -0.003307 -0.002989 0.002003 20H 1s 0.011739 -0.015426 -0.012989 0.000129 0.007993 0.002089 20H 2s -0.152653 0.070303 0.042725 -0.008418 0.070637 0.079825 20H 3s 1.059975 -0.988555 -0.950832 -0.118860 -0.228003 -0.762031 20H 1pz -0.019709 0.016015 0.013867 0.001638 0.000046 0.004201 20H 1px 0.006204 -0.008277 -0.005547 -0.005469 -0.005176 -0.005517 20H 1py -0.023702 0.012406 0.011798 -0.002714 0.012797 0.022617 21H 1s -0.005800 0.021170 0.014017 0.019530 0.014025 0.015404 21H 2s 0.075264 -0.151505 -0.084194 0.007522 0.044194 0.022407 21H 3s -0.524210 1.708152 1.058319 0.714049 0.213682 0.329448 21H 1pz -0.004531 0.018945 0.008750 0.008679 -0.003639 -0.007122 21H 1px -0.014206 0.037761 0.023377 0.010053 -0.000049 0.005008 21H 1py -0.002871 0.004373 0.002399 0.000157 0.008681 0.010477 22H 1s -0.009070 -0.006300 -0.000887 -0.022412 0.006814 0.025833 22H 2s 0.086468 -0.042408 -0.016606 -0.011787 0.025771 0.099730 22H 3s -0.639234 0.065873 0.171657 -0.741835 -0.005060 0.410400 22H 1pz -0.009816 -0.002645 -0.002613 -0.011796 -0.005415 -0.007032 22H 1px 0.014021 -0.005918 -0.005488 0.006979 -0.004496 -0.007863 22H 1py 0.008192 -0.007011 -0.004948 0.003504 0.007337 0.007002 23H 1s 0.001204 -0.008428 0.012696 0.024899 0.006339 -0.006842 23H 2s -0.096541 0.020953 -0.093115 -0.110416 0.028910 -0.089433 23H 3s 0.436523 -0.496776 1.047944 1.646235 0.059539 0.295697 23H 1pz -0.004427 0.000110 -0.005570 -0.005361 -0.008770 0.002291 23H 1px 0.010527 -0.003096 0.013410 0.017366 0.000682 0.007596 23H 1py 0.010572 -0.011416 0.021032 0.033914 -0.005202 0.011391 24H 1s -0.015477 -0.003356 -0.011150 -0.013773 0.003877 -0.008837 24H 2s 0.138549 0.073632 0.032961 0.077688 0.059135 -0.075819 24H 3s -1.143752 -0.400963 -0.829841 -0.999022 -0.303601 0.076754 24H 1pz -0.020660 -0.011691 -0.007040 -0.007963 -0.012407 0.006964 24H 1px -0.019029 -0.006944 -0.012380 -0.019629 -0.005556 0.006401 24H 1py 0.014541 0.006562 0.006933 0.009442 -0.001372 0.000187 25H 1s 0.018502 0.015936 -0.001658 -0.014365 0.015547 0.001232 25H 2s -0.071179 -0.050531 0.030738 -0.087173 0.037828 0.004335 25H 3s 0.972254 0.685261 -0.149585 -0.034036 0.241340 0.293888 25H 1pz 0.014579 0.008266 0.000209 0.008488 -0.003689 0.006011 25H 1px -0.018998 -0.014378 0.005501 -0.002841 -0.004986 -0.001580 25H 1py 0.001304 0.003799 -0.006636 -0.005544 -0.004868 0.002420 26O 1s -0.001856 0.000258 0.001610 -0.001777 -0.007342 0.009419 26O 2s -0.004292 0.000516 0.003574 -0.004534 -0.017310 0.023667 26O 3s 0.003420 0.000596 -0.001580 0.009726 0.018737 -0.049352 26O 4s 0.036171 -0.011076 -0.037425 0.007006 0.096705 -0.003826 26O 5s -0.098436 0.074243 0.205963 -0.009099 0.229734 -0.534968 26O 1pz -0.019527 0.018596 -0.013499 -0.020649 0.043516 -0.017925 26O 1px -0.021353 0.016362 -0.004358 0.016137 -0.023696 0.001174 26O 1py 0.016439 -0.011584 0.004702 -0.008839 0.021099 0.001003 26O 2pz -0.020914 0.024071 -0.008730 -0.014950 0.040582 -0.013100 26O 2px -0.018870 0.012295 -0.012333 0.003286 -0.030203 0.011314 26O 2py 0.010456 -0.008243 -0.001670 -0.006881 0.015211 0.002705 26O 3pz -0.029322 -0.011320 -0.062021 -0.035750 -0.018043 -0.075546 26O 3px 0.018108 -0.036698 -0.091429 0.102872 -0.159429 0.176940 26O 3py 0.059536 -0.035407 0.009903 -0.027752 -0.054749 0.028404 26O 1dz2 0.000187 0.000115 0.000636 -0.000141 -0.000475 -0.000099 26O 1dxz -0.000541 0.000206 -0.000272 -0.000470 -0.001746 -0.000600 26O 1dyz -0.000219 0.000184 0.000514 -0.000075 -0.001459 -0.000015 26O 1dx2y2 0.000087 -0.000748 -0.001525 0.000997 0.000441 0.001396 26O 1dxy 0.000075 0.000476 0.000981 -0.000869 -0.000799 0.000173 26O 2dz2 0.004407 -0.003555 0.001330 -0.001000 -0.004345 0.003748 26O 2dxz -0.001811 0.001388 0.000941 -0.001427 -0.003849 -0.000877 26O 2dyz 0.000811 0.001033 0.002140 -0.001896 -0.001751 -0.007834 26O 2dx2y2 -0.003115 0.004497 0.003460 -0.000715 0.006881 -0.009199 26O 2dxy -0.002496 0.004438 0.006906 -0.002863 0.004059 -0.008982 26O 1f0 -0.000341 0.000133 -0.000070 0.000111 -0.000612 -0.000288 26O 1f+1 -0.000149 0.000084 -0.000251 0.000016 0.000701 -0.000477 26O 1f-1 -0.000061 0.000058 0.000075 -0.000122 0.000229 -0.000382 26O 1f+2 0.000005 -0.000058 -0.000042 0.000089 0.000567 0.000167 26O 1f-2 0.000221 -0.000213 -0.000280 0.000131 0.000625 0.000305 26O 1f+3 -0.000036 0.000083 -0.000415 0.000002 0.000862 -0.000306 26O 1f-3 0.000039 0.000311 0.000634 -0.000440 0.000541 -0.000606 27O 1s -0.000645 0.003421 0.004323 -0.008390 -0.003603 -0.000682 27O 2s -0.001983 0.008488 0.010744 -0.020851 -0.007802 -0.001855 27O 3s 0.009323 -0.015761 -0.020739 0.040554 -0.002379 0.007009 27O 4s -0.030137 -0.013057 -0.012419 0.031085 0.099444 -0.025041 27O 5s 0.169447 -0.217194 -0.133842 0.151527 -0.007581 0.187095 27O 1pz -0.033072 -0.030163 0.005682 0.018943 0.036231 0.019692 27O 1px 0.009820 -0.000956 -0.003039 0.001080 -0.021957 0.015872 27O 1py -0.006010 0.013119 0.006411 0.019299 -0.048393 -0.010278 27O 2pz -0.022910 -0.021927 0.003397 0.013365 0.033186 0.007528 27O 2px 0.008737 0.007204 0.003296 -0.003852 -0.021812 0.025259 27O 2py -0.008751 0.009822 0.001072 0.022042 -0.046132 -0.002269 27O 3pz -0.059687 -0.099797 0.021146 0.054841 0.025609 0.096673 27O 3px -0.069274 0.062014 0.009203 0.051979 -0.100830 -0.132472 27O 3py 0.008024 -0.006579 0.051223 -0.036934 0.019133 -0.096616 27O 1dz2 0.000464 0.000180 -0.000413 0.000110 0.000096 0.000281 27O 1dxz 0.000253 -0.001256 0.001262 -0.000414 -0.000997 0.000460 27O 1dyz -0.000087 0.000258 -0.000946 0.000246 0.000571 0.000952 27O 1dx2y2 -0.000687 0.000454 0.000003 -0.000267 0.001130 -0.001215 27O 1dxy -0.000399 -0.000490 0.000115 0.000385 0.001864 -0.001937 27O 2dz2 -0.001259 0.005941 -0.002108 0.002087 -0.002428 -0.006134 27O 2dxz -0.000977 -0.000314 0.002515 -0.000408 -0.002810 -0.000443 27O 2dyz 0.000873 0.003614 -0.001641 -0.004113 0.000275 0.000620 27O 2dx2y2 0.004657 -0.002237 -0.004076 -0.004730 0.005418 0.005416 27O 2dxy -0.002716 0.002424 -0.000092 0.003152 0.003090 -0.005947 27O 1f0 -0.000002 -0.000078 0.000423 -0.000058 -0.000581 -0.000055 27O 1f+1 -0.000108 -0.000568 0.000184 -0.000101 0.000476 0.000213 27O 1f-1 0.000044 0.000362 -0.000180 0.000039 0.000075 -0.000253 27O 1f+2 0.000035 0.000158 -0.000417 -0.000133 0.000513 -0.000283 27O 1f-2 0.000137 -0.000032 0.000353 -0.000125 -0.000042 -0.000075 27O 1f+3 -0.000023 -0.000133 -0.000405 -0.000022 0.000972 -0.000001 27O 1f-3 -0.000315 -0.000115 0.000035 0.000342 0.000559 -0.000822 28O 1s 0.002374 -0.001589 -0.001640 0.010744 -0.003552 0.004302 28O 2s 0.006008 -0.003981 -0.004175 0.026701 -0.007686 0.010940 28O 3s -0.013818 0.008862 0.010028 -0.051362 -0.002440 -0.026067 28O 4s 0.006453 -0.004520 -0.002409 -0.038182 0.100953 0.023400 28O 5s -0.077070 0.013506 0.002312 -0.341741 -0.010023 -0.337220 28O 1pz -0.008638 -0.006648 -0.044779 0.001095 0.028422 -0.014544 28O 1px -0.006242 0.009275 -0.012274 0.009239 0.040034 -0.027446 28O 1py 0.036412 -0.014968 0.036575 -0.023425 0.048635 -0.009832 28O 2pz -0.010725 0.003572 -0.033279 0.010812 0.024147 -0.016861 28O 2px 0.002348 0.002004 -0.016656 -0.002567 0.037491 -0.013432 28O 2py 0.021886 -0.004851 0.030279 -0.015081 0.044930 -0.009559 28O 3pz 0.013649 -0.043753 -0.054473 -0.017258 -0.035916 0.034561 28O 3px -0.045218 0.012920 -0.038648 -0.033675 0.098732 -0.158066 28O 3py 0.080256 -0.057521 0.047917 -0.069558 0.026489 -0.029624 28O 1dz2 0.000276 -0.000564 -0.000244 0.000558 -0.001278 -0.000097 28O 1dxz -0.000001 -0.000060 0.000348 -0.000502 -0.000074 -0.000269 28O 1dyz 0.000551 -0.000082 0.000574 0.000095 -0.001223 -0.000159 28O 1dx2y2 0.000117 -0.000092 0.000132 0.000480 0.001070 0.000924 28O 1dxy 0.000026 -0.000220 -0.000215 0.000478 0.000532 0.000541 28O 2dz2 -0.001955 -0.000594 -0.005450 0.003066 -0.004424 -0.003252 28O 2dxz 0.002146 -0.000822 0.003200 0.002480 -0.003444 0.004611 28O 2dyz 0.004859 0.001453 0.007200 -0.006402 -0.001564 -0.006597 28O 2dx2y2 -0.001232 -0.000219 -0.004766 -0.001474 0.004966 -0.001110 28O 2dxy -0.001127 0.000028 -0.001115 -0.000023 0.001454 -0.001460 28O 1f0 -0.000110 0.000209 -0.000135 -0.000307 0.000595 -0.000108 28O 1f+1 -0.000048 0.000122 -0.000266 0.000127 -0.000580 -0.000408 28O 1f-1 -0.000082 0.000029 -0.000291 -0.000188 0.000178 0.000146 28O 1f+2 0.000039 -0.000157 0.000285 0.000270 -0.000701 0.000384 28O 1f-2 0.000183 0.000176 0.000529 -0.000202 -0.000214 -0.000373 28O 1f+3 0.000033 -0.000097 0.000079 0.000172 -0.000698 0.000015 28O 1f-3 0.000161 -0.000059 0.000257 -0.000063 -0.000293 0.000100 29O 1s -0.000414 0.001035 -0.000291 0.001567 -0.002672 -0.003978 29O 2s -0.000958 0.002565 -0.000947 0.004627 -0.006462 -0.010116 29O 3s 0.000751 -0.004875 0.005108 -0.021252 0.011604 0.023635 29O 4s 0.006811 -0.003082 -0.014435 0.049664 0.020938 -0.007791 29O 5s -0.005674 -0.036235 0.052304 -0.219900 0.048107 0.204954 29O 1pz -0.053142 0.036172 0.014412 0.017254 -0.008763 -0.009736 29O 1px -0.022824 0.012678 0.014752 -0.065741 0.013796 0.033521 29O 1py 0.006716 -0.004986 -0.012585 0.044127 -0.031088 -0.009199 29O 2pz -0.034340 0.025640 0.009395 0.010913 0.000200 -0.006888 29O 2px -0.012567 0.008015 0.012331 -0.041572 -0.008165 0.031009 29O 2py 0.003954 -0.005154 -0.010502 0.028020 -0.018540 -0.000054 29O 3pz -0.109887 0.073607 0.037335 0.023378 -0.033976 -0.020369 29O 3px -0.057164 0.029632 0.018637 -0.139315 0.097777 0.026776 29O 3py 0.013486 0.007141 -0.017311 0.077623 -0.045052 -0.070558 29O 1dz2 -0.000191 0.000064 -0.000025 0.000517 0.000130 -0.000515 29O 1dxz 0.000258 -0.000045 -0.000147 0.000716 0.000292 -0.000072 29O 1dyz -0.000206 0.000190 0.000217 -0.000505 0.000249 -0.000015 29O 1dx2y2 0.000032 0.000043 -0.000078 -0.000129 -0.000709 0.000083 29O 1dxy -0.000143 0.000033 -0.000118 0.000457 -0.000380 -0.000052 29O 2dz2 -0.002693 0.001733 0.000231 0.005026 -0.003743 -0.003984 29O 2dxz 0.003260 -0.001640 -0.001643 0.005406 -0.002010 -0.000749 29O 2dyz -0.005067 0.002727 0.001619 -0.001421 -0.000127 -0.001308 29O 2dx2y2 0.001272 -0.000057 -0.000141 0.000269 -0.001668 0.000008 29O 2dxy -0.002102 0.000050 0.000277 -0.001424 0.001579 0.003825 29O 1f0 -0.000290 0.000242 0.000143 -0.000385 0.000300 -0.000007 29O 1f+1 -0.000285 0.000175 0.000072 0.000028 -0.000114 0.000162 29O 1f-1 0.000279 -0.000157 -0.000083 -0.000584 0.000490 0.000283 29O 1f+2 -0.000250 0.000122 0.000080 -0.000007 0.000056 -0.000019 29O 1f-2 -0.000340 0.000135 0.000095 -0.000573 0.000316 0.000169 29O 1f+3 0.000133 -0.000026 0.000037 0.000024 0.000185 -0.000060 29O 1f-3 0.000148 -0.000109 -0.000015 -0.000150 -0.000045 0.000240 30O 1s 0.000871 0.004216 -0.001892 0.003684 -0.006777 -0.006562 30O 2s 0.001785 0.010451 -0.005049 0.009077 -0.015805 -0.016619 30O 3s 0.002963 -0.019964 0.013952 -0.016146 0.013895 0.037031 30O 4s -0.039083 -0.012446 -0.015253 -0.025544 0.105401 -0.015697 30O 5s 0.015268 -0.167821 0.180751 0.027659 0.189686 0.480316 30O 1pz -0.032746 -0.036946 0.017626 0.016802 0.023134 0.015426 30O 1px -0.007291 -0.026562 0.001821 0.016425 0.041987 -0.015443 30O 1py -0.007645 -0.029813 0.042025 0.002738 -0.022695 -0.005724 30O 2pz -0.015549 -0.027913 0.010224 0.013429 0.017337 0.007311 30O 2px -0.010444 -0.021953 0.009167 0.007219 0.048422 -0.012102 30O 2py -0.012347 -0.025965 0.040288 0.003562 -0.014925 0.001084 30O 3pz -0.070241 -0.036437 0.011055 0.004456 -0.070458 -0.039187 30O 3px -0.026016 -0.077468 0.000306 0.085997 0.120390 0.188538 30O 3py -0.009769 -0.049178 0.085674 0.020024 0.078616 0.011407 30O 1dz2 -0.000069 -0.000563 0.000317 -0.000060 -0.000240 0.000281 30O 1dxz 0.000110 0.000067 -0.000037 0.000295 -0.000209 0.000836 30O 1dyz -0.000063 0.000089 -0.000182 -0.000423 0.001667 0.000326 30O 1dx2y2 0.000074 0.000087 0.000140 -0.001082 0.001581 -0.002119 30O 1dxy 0.000192 0.000227 -0.000884 -0.000223 -0.000143 0.000629 30O 2dz2 -0.002598 -0.003658 0.004254 -0.000252 -0.002016 -0.006474 30O 2dxz 0.001265 0.001038 -0.000221 -0.001180 -0.006136 -0.009081 30O 2dyz 0.002554 0.007491 -0.005623 -0.001288 -0.001494 -0.007621 30O 2dx2y2 -0.001847 -0.002012 0.003375 -0.001718 0.008008 -0.000435 30O 2dxy 0.001569 0.003907 -0.002411 -0.000716 0.004580 0.009920 30O 1f0 -0.000023 -0.000140 0.000096 0.000179 0.000403 0.000309 30O 1f+1 -0.000130 -0.000285 0.000401 0.000085 -0.000358 0.000030 30O 1f-1 0.000148 -0.000262 0.000304 0.000040 -0.000230 -0.000076 30O 1f+2 0.000323 0.000327 -0.000032 0.000127 -0.001188 0.000107 30O 1f-2 0.000044 0.000347 -0.000211 -0.000093 -0.000326 -0.000783 30O 1f+3 0.000200 0.000228 -0.000163 -0.000068 -0.000849 0.000737 30O 1f-3 0.000099 0.000037 0.000205 0.000163 -0.000852 -0.000285 31O 1s 0.000994 -0.004189 -0.000076 -0.004097 -0.006673 0.006473 31O 2s 0.002093 -0.010409 -0.000544 -0.010238 -0.015545 0.016371 31O 3s 0.002318 0.020269 0.005556 0.020005 0.013392 -0.036093 31O 4s -0.039022 0.010229 -0.025509 0.018194 0.105218 0.013027 31O 5s 0.004531 0.171278 0.172415 0.043033 0.184189 -0.455376 31O 1pz 0.035036 -0.037767 -0.022204 0.007936 -0.023360 0.014142 31O 1px 0.008566 -0.026553 -0.007735 0.014630 -0.041475 -0.015024 31O 1py 0.008369 -0.032008 -0.038820 -0.014027 0.022288 -0.005158 31O 2pz 0.017386 -0.028813 -0.014438 0.008117 -0.017493 0.006515 31O 2px 0.011588 -0.021725 -0.010504 0.003077 -0.047938 -0.011476 31O 2py 0.012984 -0.027586 -0.037319 -0.012751 0.014546 0.000800 31O 3pz 0.070959 -0.036753 -0.010144 -0.001859 0.069187 -0.040183 31O 3px 0.030908 -0.077006 -0.034589 0.079625 -0.118359 0.176799 31O 3py 0.012315 -0.052176 -0.086462 -0.015531 -0.077594 0.015639 31O 1dz2 -0.000076 0.000557 0.000241 0.000187 -0.000252 -0.000237 31O 1dxz 0.000092 -0.000060 0.000102 -0.000290 -0.000213 -0.000824 31O 1dyz -0.000055 -0.000094 -0.000329 0.000320 0.001666 -0.000328 31O 1dx2y2 0.000101 -0.000092 -0.000331 0.001050 0.001582 0.002028 31O 1dxy 0.000206 -0.000236 -0.000882 -0.000150 -0.000128 -0.000592 31O 2dz2 -0.002674 0.003890 0.003694 0.001980 -0.001966 0.006482 31O 2dxz 0.001396 -0.000928 -0.000666 0.000901 -0.006086 0.008902 31O 2dyz 0.002912 -0.007585 -0.005469 -0.001006 -0.001330 0.007316 31O 2dx2y2 -0.001903 0.002071 0.002328 0.002953 0.007981 0.000453 31O 2dxy 0.001617 -0.004007 -0.002322 -0.000259 0.004572 -0.009653 31O 1f0 0.000033 -0.000135 -0.000158 0.000128 -0.000395 0.000316 31O 1f+1 0.000144 -0.000303 -0.000394 -0.000086 0.000356 0.000013 31O 1f-1 -0.000136 -0.000280 -0.000289 -0.000078 0.000234 -0.000082 31O 1f+2 -0.000331 0.000311 -0.000036 0.000138 0.001186 0.000086 31O 1f-2 -0.000059 0.000350 0.000228 -0.000002 0.000315 -0.000772 31O 1f+3 -0.000210 0.000226 0.000165 0.000002 0.000849 0.000710 31O 1f-3 -0.000096 0.000017 -0.000257 0.000074 0.000847 -0.000298 32O 1s -0.000421 -0.001074 0.000467 -0.001523 -0.002695 0.003989 32O 2s -0.000984 -0.002658 0.001264 -0.004539 -0.006517 0.010139 32O 3s 0.000939 0.004975 -0.004609 0.021243 0.011686 -0.023582 32O 4s 0.006252 0.003615 0.007419 -0.050904 0.021072 0.007440 32O 5s -0.003795 0.035814 -0.046951 0.220609 0.049153 -0.205000 32O 1pz 0.053682 0.038364 -0.022091 0.007746 0.008257 -0.009545 32O 1px 0.022141 0.013738 0.013256 -0.066568 -0.014002 0.033161 32O 1py -0.004661 -0.004292 -0.007135 0.044763 0.031214 -0.008941 32O 2pz 0.034739 0.027218 -0.014512 0.004731 -0.000492 -0.007001 32O 2px 0.012179 0.008469 0.005517 -0.043324 0.008018 0.030812 32O 2py -0.002584 -0.004564 -0.002130 0.029385 0.018636 0.000115 32O 3pz 0.110866 0.077353 -0.047519 0.002510 0.033671 -0.020693 32O 3px 0.055886 0.032941 0.039400 -0.136051 -0.097983 0.025639 32O 3py -0.010057 0.008319 -0.017805 0.076808 0.045454 -0.070838 32O 1dz2 -0.000186 -0.000059 0.000199 -0.000507 0.000115 0.000539 32O 1dxz 0.000265 0.000063 0.000153 -0.000716 0.000299 0.000048 32O 1dyz -0.000206 -0.000202 0.000012 0.000523 0.000231 0.000071 32O 1dx2y2 0.000037 -0.000042 -0.000121 0.000091 -0.000709 -0.000090 32O 1dxy -0.000145 -0.000040 0.000086 -0.000474 -0.000388 0.000064 32O 2dz2 -0.002504 -0.001712 0.002356 -0.004513 -0.003784 0.003918 32O 2dxz 0.003306 0.001823 0.000642 -0.005634 -0.001947 0.000674 32O 2dyz -0.005105 -0.002984 0.001101 0.001822 -0.000351 0.001434 32O 2dx2y2 0.001406 0.000181 -0.000036 -0.000355 -0.001662 -0.000007 32O 2dxy -0.002014 -0.000079 -0.000313 0.001288 0.001476 -0.003761 32O 1f0 0.000304 0.000265 -0.000003 -0.000381 -0.000266 -0.000033 32O 1f+1 0.000278 0.000179 -0.000097 0.000021 0.000130 0.000157 32O 1f-1 -0.000254 -0.000144 0.000325 -0.000517 -0.000506 0.000272 32O 1f+2 0.000249 0.000131 -0.000087 -0.000020 -0.000030 -0.000025 32O 1f-2 0.000354 0.000164 0.000140 -0.000563 -0.000298 0.000166 32O 1f+3 -0.000122 -0.000026 -0.000040 -0.000004 -0.000201 -0.000056 32O 1f-3 -0.000155 -0.000117 0.000080 -0.000130 0.000038 0.000239 33O 1s 0.002130 0.001799 0.002971 -0.010564 -0.003429 -0.004134 33O 2s 0.005394 0.004509 0.007293 -0.026307 -0.007380 -0.010487 33O 3s -0.012498 -0.010001 -0.012201 0.051581 -0.003066 0.024641 33O 4s 0.006305 0.004722 -0.018217 0.033001 0.100865 -0.020459 33O 5s -0.065803 -0.024797 -0.141653 0.322758 -0.016196 0.306960 33O 1pz 0.008372 -0.005979 0.041605 0.018810 -0.028482 -0.013651 33O 1px 0.006111 0.009242 0.007771 0.014500 -0.039862 -0.028332 33O 1py -0.036650 -0.016275 -0.024355 -0.035816 -0.048231 -0.010150 33O 2pz 0.010312 0.003965 0.026487 0.023296 -0.024229 -0.016896 33O 2px -0.002547 0.001967 0.016861 0.005125 -0.037360 -0.014054 33O 2py -0.022365 -0.005800 -0.022207 -0.025864 -0.044592 -0.010424 33O 3pz -0.011861 -0.044094 0.059997 0.006879 0.034695 0.036850 33O 3px 0.042172 0.016541 0.050285 -0.017586 -0.096594 -0.147738 33O 3py -0.079368 -0.059654 -0.013990 -0.081913 -0.025878 -0.024408 33O 1dz2 0.000273 0.000574 -0.000032 -0.000601 -0.001288 0.000036 33O 1dxz 0.000014 0.000063 0.000113 0.000615 -0.000086 0.000266 33O 1dyz 0.000562 0.000146 0.000564 0.000125 -0.001213 0.000156 33O 1dx2y2 0.000078 0.000098 0.000326 -0.000417 0.001080 -0.000846 33O 1dxy 0.000015 0.000224 -0.000011 -0.000544 0.000531 -0.000487 33O 2dz2 -0.002021 0.000505 -0.003966 -0.005046 -0.004517 0.003001 33O 2dxz 0.001937 0.001104 0.003898 -0.001256 -0.003406 -0.004281 33O 2dyz 0.005085 -0.001115 0.003987 0.008656 -0.001642 0.006448 33O 2dx2y2 -0.001177 0.000011 -0.005055 -0.000489 0.004898 0.000908 33O 2dxy -0.001098 -0.000009 -0.001182 -0.000566 0.001413 0.001479 33O 1f0 0.000094 0.000221 0.000241 -0.000235 -0.000594 -0.000126 33O 1f+1 0.000043 0.000125 0.000194 0.000220 0.000585 -0.000374 33O 1f-1 0.000086 0.000047 0.000343 -0.000063 -0.000178 0.000142 33O 1f+2 -0.000028 -0.000176 -0.000372 0.000139 0.000690 0.000391 33O 1f-2 -0.000196 0.000156 -0.000415 -0.000402 0.000216 -0.000354 33O 1f+3 -0.000024 -0.000104 -0.000141 0.000125 0.000695 0.000039 33O 1f-3 -0.000156 -0.000066 -0.000216 -0.000167 0.000290 0.000113 34O 1s -0.000409 -0.003352 0.000559 0.009466 -0.003483 0.000597 34O 2s -0.001395 -0.008342 0.001383 0.023537 -0.007504 0.001618 34O 3s 0.008186 0.015819 -0.002425 -0.045878 -0.002936 -0.006101 34O 4s -0.030864 0.010919 0.000581 -0.032513 0.099006 0.022492 34O 5s 0.160757 0.225732 -0.061853 -0.203749 -0.012076 -0.167181 34O 1pz 0.034491 -0.029390 -0.011880 0.014384 -0.036341 0.019564 34O 1px -0.010309 -0.001813 0.001828 0.002020 0.021611 0.015232 34O 1py 0.006221 0.012554 -0.014435 0.014639 0.047982 -0.009521 34O 2pz 0.023942 -0.021338 -0.007891 0.010283 -0.033314 0.008047 34O 2px -0.009320 0.006629 -0.002035 -0.005183 0.021459 0.024373 34O 2py 0.009033 0.009477 -0.010460 0.019217 0.045701 -0.002236 34O 3pz 0.064171 -0.100476 -0.039032 0.041388 -0.025017 0.089637 34O 3px 0.067013 0.064290 -0.029413 0.038934 0.098763 -0.126857 34O 3py -0.007750 -0.008610 -0.031953 -0.053154 -0.019294 -0.088901 34O 1dz2 0.000473 -0.000174 -0.000319 -0.000281 0.000090 -0.000272 34O 1dxz 0.000220 0.001329 0.000961 0.000863 -0.001015 -0.000400 34O 1dyz -0.000087 -0.000290 -0.000748 -0.000588 0.000575 -0.000915 34O 1dx2y2 -0.000677 -0.000489 -0.000116 0.000272 0.001137 0.001214 34O 1dxy -0.000421 0.000481 0.000220 -0.000308 0.001863 0.001881 34O 2dz2 -0.001076 -0.006185 -0.001054 -0.002561 -0.002361 0.006006 34O 2dxz -0.000969 0.000333 0.002058 0.001416 -0.002814 0.000513 34O 2dyz 0.001110 -0.003601 -0.003045 0.003187 0.000412 -0.000615 34O 2dx2y2 0.004697 0.002301 -0.005560 0.002550 0.005353 -0.005358 34O 2dxy -0.002677 -0.002558 0.001183 -0.002805 0.003125 0.005807 34O 1f0 0.000000 -0.000094 -0.000359 -0.000223 0.000577 -0.000073 34O 1f+1 0.000131 -0.000576 -0.000117 -0.000158 -0.000467 0.000220 34O 1f-1 -0.000057 0.000372 0.000142 0.000104 -0.000077 -0.000243 34O 1f+2 -0.000041 0.000178 0.000430 0.000046 -0.000512 -0.000256 34O 1f-2 -0.000138 -0.000043 -0.000272 -0.000246 0.000045 -0.000073 34O 1f+3 0.000030 -0.000114 0.000379 0.000143 -0.000962 0.000024 34O 1f-3 0.000322 -0.000106 -0.000159 0.000287 -0.000560 -0.000799 35O 1s -0.002000 -0.000393 0.000814 0.002325 -0.007244 -0.009379 35O 2s -0.004651 -0.000858 0.001577 0.005712 -0.017066 -0.023543 35O 3s 0.004155 0.000105 0.002260 -0.009677 0.018265 0.048635 35O 4s 0.036135 0.011325 -0.031773 -0.022109 0.096440 0.006528 35O 5s -0.093383 -0.067799 0.183393 0.084115 0.225002 0.520727 35O 1pz 0.018536 0.019819 0.021057 -0.013586 -0.043582 -0.017624 35O 1px 0.021573 0.017420 -0.003299 0.016117 0.023293 0.001670 35O 1py -0.015146 -0.010889 -0.000562 -0.009675 -0.020428 0.001350 35O 2pz 0.019755 0.025209 0.013903 -0.010295 -0.040678 -0.013719 35O 2px 0.018677 0.013774 0.009506 0.007052 0.029791 0.012380 35O 2py -0.009504 -0.007290 0.004387 -0.005632 -0.014599 0.002761 35O 3pz 0.029607 -0.007392 0.074018 -0.009621 0.018637 -0.065677 35O 3px -0.014316 -0.035479 0.041757 0.128235 0.157114 0.172967 35O 3py -0.057892 -0.035149 0.002470 -0.031070 0.054892 0.032876 35O 1dz2 0.000197 -0.000082 0.000524 0.000357 -0.000481 0.000112 35O 1dxz -0.000545 -0.000259 -0.000450 0.000326 -0.001764 0.000512 35O 1dyz -0.000227 -0.000180 0.000434 0.000258 -0.001464 0.000006 35O 1dx2y2 0.000040 0.000721 -0.001016 -0.001528 0.000447 -0.001366 35O 1dxy 0.000094 -0.000473 0.000583 0.001217 -0.000790 -0.000197 35O 2dz2 0.004443 0.003756 0.000674 0.001453 -0.004314 -0.003825 35O 2dxz -0.001810 -0.001485 0.000302 0.001689 -0.003841 0.000758 35O 2dyz 0.000940 -0.000895 0.001093 0.002438 -0.001836 0.007712 35O 2dx2y2 -0.002933 -0.004486 0.003025 0.001918 0.006792 0.009307 35O 2dxy -0.002401 -0.004413 0.005311 0.005259 0.003977 0.009033 35O 1f0 0.000341 0.000146 0.000025 0.000128 0.000615 -0.000261 35O 1f+1 0.000142 0.000086 0.000227 0.000121 -0.000696 -0.000503 35O 1f-1 0.000055 0.000059 -0.000018 -0.000139 -0.000226 -0.000385 35O 1f+2 -0.000005 -0.000064 0.000007 0.000103 -0.000566 0.000141 35O 1f-2 -0.000216 -0.000213 0.000206 0.000229 -0.000629 0.000280 35O 1f+3 0.000018 0.000083 0.000385 0.000178 -0.000859 -0.000337 35O 1f-3 -0.000058 0.000294 -0.000417 -0.000647 -0.000534 -0.000627 144 145 146 147 148 149 0.14898 0.14979 0.15937 0.16241 0.16314 0.18591 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s 0.000533 -0.000402 0.001681 -0.000290 -0.002094 -0.003714 0Rh 2s -0.002113 0.001425 -0.005771 0.001184 0.007756 0.011984 0Rh 3s 0.001786 -0.001452 0.006195 -0.000952 -0.007368 -0.014170 0Rh 4s 0.009283 -0.006191 0.024990 -0.005219 -0.033850 -0.051516 0Rh 5s -0.008133 0.004216 -0.015104 0.004876 0.025254 0.023604 0Rh 6s -0.013568 0.013645 -0.062978 0.006552 0.066936 0.159834 0Rh 7s -0.009840 -0.088451 0.425811 -0.053484 -0.002782 0.003954 0Rh 8s -0.068170 0.166851 -0.983843 0.416433 -0.336812 -1.304575 0Rh 1pz -0.003530 -0.000127 -0.006008 0.005889 0.006538 0.003951 0Rh 1px -0.002781 -0.002264 0.021406 0.001299 0.006330 -0.005754 0Rh 1py 0.000944 -0.000662 0.007165 0.008661 -0.006251 0.006695 0Rh 2pz 0.012105 0.000436 0.020658 -0.020299 -0.022548 -0.013607 0Rh 2px 0.009573 0.007753 -0.073473 -0.004521 -0.021783 0.019743 0Rh 2py -0.003261 0.002287 -0.024572 -0.029870 0.021566 -0.023030 0Rh 3pz -0.010797 -0.000413 -0.019342 0.020049 0.022467 0.013067 0Rh 3px -0.009234 -0.006682 0.066530 0.005303 0.020791 -0.017541 0Rh 3py 0.003364 -0.002398 0.021848 0.029709 -0.021541 0.021611 0Rh 4pz -0.014614 -0.000307 -0.022114 0.017070 0.018255 0.013385 0Rh 4px -0.008930 -0.010321 0.086976 0.000328 0.021385 -0.025067 0Rh 4py 0.002202 -0.001364 0.030355 0.024570 -0.017451 0.023951 0Rh 5pz -0.007179 -0.001684 -0.012367 0.024349 0.029816 0.013525 0Rh 5px -0.010750 -0.001554 0.028860 0.015033 0.020675 -0.005343 0Rh 5py 0.005203 -0.004329 0.012163 0.038841 -0.028973 0.028890 0Rh 6pz -0.070367 -0.003355 0.127473 -0.199851 -0.317272 -0.133327 0Rh 6px 0.132755 0.052046 -0.436634 -0.244755 -0.340128 0.101949 0Rh 6py -0.021429 0.000810 -0.214352 -0.487574 0.280504 -0.456994 0Rh 1dz2 0.006554 -0.001483 -0.009267 0.000680 0.000739 0.009835 0Rh 1dxz -0.007752 0.003245 -0.015549 -0.000378 -0.003225 0.005717 0Rh 1dyz 0.000960 -0.005861 -0.002489 -0.001265 -0.001565 0.004384 0Rh 1dx2y2 -0.001989 -0.002407 0.021420 -0.002046 0.000434 -0.008124 0Rh 1dxy -0.000491 -0.002886 0.000644 -0.004090 -0.000465 -0.018038 0Rh 2dz2 -0.000342 0.000097 0.000451 0.000223 0.000281 -0.000010 0Rh 2dxz 0.000145 -0.000046 0.000724 -0.000112 0.000054 -0.000755 0Rh 2dyz -0.000054 0.000557 0.000359 0.000277 -0.000112 0.000218 0Rh 2dx2y2 0.000009 0.000128 -0.000685 0.000149 -0.000398 0.000618 0Rh 2dxy 0.000111 0.000385 -0.000601 -0.000227 0.000100 -0.000397 0Rh 3dz2 -0.010013 0.002172 0.014345 -0.002089 -0.002437 -0.017237 0Rh 3dxz 0.012939 -0.005483 0.024275 0.001094 0.005411 -0.006986 0Rh 3dyz -0.001406 0.007953 0.002826 0.001062 0.003138 -0.008593 0Rh 3dx2y2 0.003425 0.003687 -0.034646 0.002983 0.000809 0.011709 0Rh 3dxy 0.000423 0.003477 0.001248 0.008033 0.000396 0.033300 0Rh 4dz2 -0.013653 0.002741 0.018283 0.001743 0.002544 -0.013495 0Rh 4dxz 0.012723 -0.005099 0.030499 -0.000666 0.005676 -0.017261 0Rh 4dyz -0.002190 0.013680 0.007765 0.005294 0.001122 -0.003106 0Rh 4dx2y2 0.003086 0.004760 -0.038393 0.004616 -0.005815 0.018588 0Rh 4dxy 0.002011 0.008282 -0.007869 0.003366 0.001613 0.020249 0Rh 5dz2 -0.008458 0.010750 0.019429 -0.014273 -0.018963 -0.047768 0Rh 5dxz 0.026064 -0.010057 0.029471 0.002320 0.003407 0.006332 0Rh 5dyz 0.000990 0.019451 -0.006936 -0.010743 0.007482 -0.034558 0Rh 5dx2y2 0.006876 0.006396 -0.057461 0.003710 0.023424 0.020410 0Rh 5dxy -0.004827 0.001216 0.019685 0.024259 0.001263 0.094571 0Rh 1f0 0.000951 0.000492 0.002360 0.002031 -0.002199 0.001414 0Rh 1f+1 -0.001743 -0.000943 -0.001606 0.002000 0.001785 -0.000069 0Rh 1f-1 -0.002599 0.000569 -0.000177 0.006220 -0.000139 0.001203 0Rh 1f+2 0.004976 0.001044 -0.002791 -0.003327 -0.005710 -0.000454 0Rh 1f-2 0.001942 -0.002131 -0.000934 0.002928 -0.004679 0.000406 0Rh 1f+3 -0.002463 0.000532 -0.003818 -0.000617 0.003910 -0.000799 0Rh 1f-3 0.000366 0.001271 -0.001947 0.002740 -0.002667 -0.000238 1Rh 1s -0.000533 -0.000378 0.001799 0.000248 0.001993 -0.003979 1Rh 2s 0.002112 0.001352 -0.006210 -0.001038 -0.007405 0.012999 1Rh 3s -0.001787 -0.001360 0.006612 0.000800 0.006993 -0.015081 1Rh 4s -0.009277 -0.005881 0.026905 0.004586 0.032331 -0.055969 1Rh 5s 0.008108 0.004110 -0.016531 -0.004468 -0.024324 0.027226 1Rh 6s 0.013650 0.012551 -0.066771 -0.005061 -0.063165 0.167523 1Rh 7s 0.010511 -0.092335 0.426075 0.042335 -0.024235 -0.005439 1Rh 8s 0.072123 0.213647 -0.966143 -0.391865 0.396438 -1.239791 1Rh 1pz -0.003668 -0.000184 0.006306 0.005776 0.006209 -0.003570 1Rh 1px -0.002365 0.002167 -0.021068 0.001674 0.007399 0.005315 1Rh 1py 0.001089 0.000558 -0.007220 0.008805 -0.005867 -0.006821 1Rh 2pz 0.012582 0.000632 -0.021684 -0.019911 -0.021418 0.012295 1Rh 2px 0.008142 -0.007413 0.072310 -0.005806 -0.025450 -0.018226 1Rh 2py -0.003760 -0.001933 0.024764 -0.030362 0.020250 0.023466 1Rh 3pz -0.011263 -0.000572 0.020377 0.019700 0.021432 -0.011824 1Rh 3px -0.007861 0.006261 -0.065413 0.006446 0.024083 0.015982 1Rh 3py 0.003804 0.002082 -0.022065 0.030164 -0.020377 -0.022039 1Rh 4pz -0.015045 -0.000853 0.022891 0.016610 0.016959 -0.012046 1Rh 4px -0.007525 0.010376 -0.085875 0.001927 0.025843 0.023985 1Rh 4py 0.002832 0.000930 -0.030415 0.025109 -0.015805 -0.024342 1Rh 5pz -0.007660 0.000872 0.013792 0.024180 0.029303 -0.012251 1Rh 5px -0.009694 0.000313 -0.027626 0.015394 0.021886 0.002987 1Rh 5py 0.005431 0.004091 -0.012606 0.039244 -0.028353 -0.029390 1Rh 6pz -0.066917 0.004272 -0.145559 -0.196307 -0.309806 0.102645 1Rh 6px 0.123783 -0.034714 0.414446 -0.251870 -0.361148 -0.048834 1Rh 6py -0.026620 -0.001701 0.214104 -0.492852 0.268932 0.467894 1Rh 1dz2 -0.006261 -0.001614 -0.009494 -0.000598 -0.000284 0.009954 1Rh 1dxz 0.007971 0.003592 -0.015123 0.000641 0.003952 0.005748 1Rh 1dyz -0.000735 -0.006020 -0.002417 0.001366 0.001649 0.004403 1Rh 1dx2y2 0.001697 -0.002710 0.021474 0.001562 -0.001634 -0.008174 1Rh 1dxy 0.000589 -0.002510 0.000757 0.004091 0.000445 -0.018049 1Rh 2dz2 0.000332 0.000109 0.000436 -0.000229 -0.000306 -0.000003 1Rh 2dxz -0.000158 -0.000053 0.000718 0.000098 -0.000088 -0.000720 1Rh 2dyz 0.000023 0.000555 0.000361 -0.000285 0.000099 0.000227 1Rh 2dx2y2 -0.000003 0.000140 -0.000665 -0.000136 0.000438 0.000592 1Rh 2dxy -0.000110 0.000370 -0.000599 0.000244 -0.000070 -0.000416 1Rh 3dz2 0.009546 0.002353 0.014800 0.001974 0.001745 -0.017475 1Rh 3dxz -0.013265 -0.006060 0.023554 -0.001500 -0.006545 -0.007181 1Rh 3dyz 0.001144 0.008236 0.002692 -0.001206 -0.003229 -0.008662 1Rh 3dx2y2 -0.002939 0.004169 -0.034818 -0.002188 0.001127 0.011898 1Rh 3dxy -0.000597 0.002881 0.001041 -0.008102 -0.000483 0.033394 1Rh 4dz2 0.013142 0.003066 0.018419 -0.001936 -0.003477 -0.013553 1Rh 4dxz -0.013195 -0.005673 0.029799 0.000136 -0.007101 -0.016852 1Rh 4dyz 0.001542 0.013886 0.007682 -0.005539 -0.001389 -0.003030 1Rh 4dx2y2 -0.002613 0.005341 -0.038206 -0.003774 0.008000 0.018289 1Rh 4dxy -0.002132 0.007555 -0.007993 -0.003175 -0.001225 0.020018 1Rh 5dz2 0.007271 0.010837 0.021179 0.014225 0.018208 -0.048940 1Rh 5dxz -0.026444 -0.011329 0.028538 -0.002749 -0.004767 0.004083 1Rh 5dyz -0.001218 0.020317 -0.007134 0.010870 -0.007277 -0.034958 1Rh 5dx2y2 -0.005644 0.006979 -0.059104 -0.002475 -0.020582 0.022878 1Rh 5dxy 0.004305 0.000590 0.019030 -0.024968 -0.002369 0.095825 1Rh 1f0 0.001039 -0.000511 -0.002384 0.002079 -0.002086 -0.001479 1Rh 1f+1 -0.001835 0.000818 0.001685 0.001982 0.001718 0.000197 1Rh 1f-1 -0.002567 -0.000881 0.000223 0.006225 -0.000159 -0.001154 1Rh 1f+2 0.004938 -0.000770 0.002571 -0.003377 -0.005839 0.000419 1Rh 1f-2 0.001832 0.002082 0.000825 0.002905 -0.004700 -0.000430 1Rh 1f+3 -0.002532 -0.000613 0.003894 -0.000688 0.003706 0.000986 1Rh 1f-3 0.000362 -0.001339 0.001895 0.002721 -0.002769 0.000287 2C 1s 0.006356 -0.004168 -0.001148 0.002478 0.000965 0.000805 2C 2s 0.014703 -0.009601 -0.002470 0.005313 0.002259 0.001337 2C 3s -0.046995 0.013039 -0.003887 0.014219 -0.001361 0.013436 2C 4s 0.159001 -0.039198 0.006297 -0.087332 0.026060 -0.090665 2C 5s -2.321621 3.267242 0.846426 -1.280415 -0.968129 -0.842867 2C 1pz 0.011801 0.027533 0.042292 -0.092782 -0.046599 -0.026329 2C 1px 0.033094 0.020029 0.052985 -0.057371 -0.030401 -0.059235 2C 1py -0.059036 0.016600 0.021781 -0.042979 0.004363 0.021109 2C 2pz -0.029174 0.120610 0.045261 -0.123494 -0.045658 -0.059685 2C 2px 0.010280 0.025379 0.036825 -0.045155 -0.028752 -0.007966 2C 2py -0.029964 0.076650 0.038856 -0.072963 -0.029112 -0.003365 2C 3pz -0.930750 1.478627 0.810759 -1.307929 -0.845588 -0.308862 2C 3px -0.073130 0.364351 0.269132 -0.243265 -0.267541 0.023040 2C 3py -1.190680 1.047072 0.478820 -0.791035 -0.240570 -0.039357 2C 1dz2 0.009915 -0.008990 -0.006781 0.008451 0.005077 -0.003216 2C 1dxz 0.010008 -0.005335 0.000951 0.002928 -0.002482 0.002725 2C 1dyz 0.014720 -0.014068 -0.010150 0.012206 0.009074 -0.004118 2C 1dx2y2 -0.003840 0.004723 0.001805 -0.004915 -0.002732 -0.004578 2C 1dxy -0.000078 -0.002502 -0.000105 0.001761 0.003133 0.002633 2C 2dz2 -0.030173 0.032195 -0.000972 0.003959 0.001905 0.011540 2C 2dxz 0.003767 0.029817 0.018217 -0.019340 -0.014263 -0.038771 2C 2dyz -0.043574 0.043991 -0.004840 0.009254 -0.007589 0.033578 2C 2dx2y2 0.008191 -0.022687 -0.006416 0.005894 0.002226 0.019676 2C 2dxy -0.026808 0.009203 0.001379 0.002001 0.004756 0.011225 2C 1f0 0.000921 -0.000224 -0.000404 0.000190 -0.000396 0.001564 2C 1f+1 -0.003406 0.001267 -0.000554 0.001645 0.000039 0.004537 2C 1f-1 -0.002948 0.004950 0.002169 -0.003241 -0.001236 -0.002200 2C 1f+2 -0.000383 -0.000448 0.000351 0.000958 0.000181 -0.003083 2C 1f-2 0.003352 0.000856 0.002783 -0.004963 -0.001750 -0.003531 2C 1f+3 -0.002917 0.003090 0.000501 0.001407 -0.001159 0.001816 2C 1f-3 -0.002782 0.000081 -0.002070 0.003313 0.000911 0.006309 3C 1s 0.003368 0.003500 -0.000320 -0.000509 0.001348 0.000954 3C 2s 0.007901 0.008017 -0.000561 -0.001240 0.002827 0.001870 3C 3s -0.030695 -0.007011 -0.009509 -0.003305 0.019252 0.005624 3C 4s 0.119752 0.030446 0.031181 -0.009717 -0.091703 -0.043270 3C 5s -1.506649 -3.297804 0.302897 0.900566 -1.046718 -0.806881 3C 1pz 0.016817 -0.000454 -0.000490 -0.013771 -0.007161 0.038311 3C 1px -0.000256 -0.028105 0.029058 0.024930 -0.039823 -0.012397 3C 1py -0.002509 0.035933 -0.056714 -0.047518 0.107720 0.042907 3C 2pz -0.011818 -0.065181 0.021959 0.022291 -0.042913 0.022667 3C 2px -0.012919 -0.052973 0.010911 0.029658 -0.047117 -0.017626 3C 2py 0.007737 0.118420 -0.044273 -0.054645 0.126790 0.054082 3C 3pz -0.201185 -0.882709 0.243035 0.130289 -0.563926 -0.336965 3C 3px -0.285260 -0.662639 0.210689 0.325742 -0.376611 -0.017862 3C 3py 0.743516 1.626105 -0.607845 -0.821335 1.172506 0.148327 3C 1dz2 -0.002786 -0.002481 0.001429 0.001958 -0.000999 0.004032 3C 1dxz 0.002898 0.004727 -0.004480 -0.001948 0.003042 -0.002947 3C 1dyz -0.009572 -0.013576 0.005077 0.009752 -0.010295 0.000105 3C 1dx2y2 -0.004222 -0.010096 0.003046 0.002257 -0.006828 -0.002485 3C 1dxy -0.004387 -0.008163 0.004256 0.002028 -0.003930 0.003119 3C 2dz2 -0.001646 0.008818 0.000813 0.003886 -0.003485 -0.004041 3C 2dxz -0.016441 -0.028222 0.005498 0.005806 -0.000326 0.006881 3C 2dyz 0.035188 0.030728 0.022097 -0.000591 -0.022538 -0.043958 3C 2dx2y2 0.018612 0.040530 -0.003166 -0.009960 0.005953 0.012586 3C 2dxy 0.020367 0.035628 -0.004256 -0.010387 0.009433 0.015610 3C 1f0 0.002837 0.004522 -0.001467 -0.001730 0.001817 0.002767 3C 1f+1 -0.000087 0.001292 -0.002062 -0.000948 0.001399 0.002308 3C 1f-1 0.003051 0.000810 0.001601 0.000836 -0.003165 -0.004142 3C 1f+2 -0.002373 0.001503 -0.002943 -0.001644 0.004820 0.001088 3C 1f-2 -0.000324 0.001446 -0.000119 -0.000754 0.002425 0.000140 3C 1f+3 -0.002151 -0.003387 -0.000324 0.000363 0.000805 0.002978 3C 1f-3 0.001774 0.000596 0.002294 0.000322 -0.002995 -0.004155 4C 1s -0.015246 0.015666 0.020654 -0.023793 -0.011473 -0.000209 4C 2s -0.033589 0.034337 0.046079 -0.053534 -0.025741 -0.002256 4C 3s 0.053772 -0.022324 -0.077749 0.076342 0.037115 0.033003 4C 4s 0.170709 -0.317423 -0.225963 0.285955 0.141398 -0.187016 4C 5s 1.256165 -2.373624 -1.101699 2.758677 1.296455 2.192862 4C 1pz -0.103969 0.077571 0.006733 -0.034006 -0.006231 0.023364 4C 1px -0.019879 0.014883 0.017480 -0.016347 -0.014506 0.027496 4C 1py -0.009953 0.043295 0.019623 -0.028170 -0.057785 -0.009909 4C 2pz -0.245072 0.187853 0.019628 -0.034380 0.001116 -0.003561 4C 2px -0.038121 -0.003339 0.066654 0.018707 -0.037805 0.299102 4C 2py -0.071708 0.084426 0.047778 -0.004408 -0.100638 0.036544 4C 3pz -1.115139 1.806445 0.624033 -0.890308 -0.557826 -0.491441 4C 3px -0.091484 0.195224 0.377209 -0.214268 -0.287744 0.524083 4C 3py -0.645604 1.183658 0.510611 -0.663851 -0.306881 0.036457 4C 1dz2 0.000260 0.002141 0.000640 -0.002972 0.000280 0.002063 4C 1dxz -0.001370 0.001069 -0.004745 0.004762 0.003759 0.001943 4C 1dyz 0.002979 0.001461 0.002549 -0.009648 -0.003706 -0.006743 4C 1dx2y2 0.000662 -0.001373 0.003719 -0.007772 -0.000937 -0.007413 4C 1dxy -0.000149 -0.000336 0.001298 -0.005353 0.000302 -0.004963 4C 2dz2 0.007027 -0.028668 -0.007701 0.006902 0.007330 -0.055631 4C 2dxz 0.005952 -0.036291 -0.007075 0.031255 -0.004817 0.098648 4C 2dyz 0.010053 -0.040782 0.010658 -0.000472 0.008758 -0.021222 4C 2dx2y2 -0.020149 0.023435 0.016341 -0.012192 -0.003725 0.007610 4C 2dxy -0.001262 -0.012738 0.024196 0.004265 -0.007860 0.079311 4C 1f0 0.001150 0.001703 0.000147 -0.000236 -0.001460 -0.001693 4C 1f+1 0.000074 0.002049 0.000949 0.001903 -0.001505 0.003339 4C 1f-1 -0.002683 0.006690 0.001354 -0.003269 -0.001113 -0.004091 4C 1f+2 0.001949 -0.003117 -0.000801 -0.001107 0.001136 -0.004530 4C 1f-2 -0.001078 0.001657 0.002348 -0.001169 -0.000020 0.006017 4C 1f+3 0.001285 0.000814 0.000194 -0.000195 -0.001955 -0.003337 4C 1f-3 -0.002170 0.001929 -0.000683 0.000877 0.002799 -0.003477 5C 1s -0.007177 -0.017803 0.018621 0.011227 -0.021134 -0.001819 5C 2s -0.015451 -0.039115 0.041731 0.025087 -0.047648 -0.005749 5C 3s 0.022046 0.035298 -0.079468 -0.031873 0.066949 0.026073 5C 4s 0.107240 0.314648 -0.164859 -0.164565 0.248684 -0.094312 5C 5s 0.448952 2.355490 -0.800806 -1.284722 2.575187 2.233967 5C 1pz -0.050907 -0.038665 0.006136 0.045259 -0.012575 0.020732 5C 1px -0.021135 -0.030518 -0.007507 0.016653 -0.027997 -0.018501 5C 1py 0.036473 0.072144 0.001428 -0.007500 0.020226 -0.013814 5C 2pz -0.120828 -0.091928 0.048110 0.066284 0.011272 0.119725 5C 2px -0.079699 -0.047604 -0.103560 0.061997 -0.008005 -0.135162 5C 2py 0.122088 0.179879 -0.029075 0.003494 -0.004694 -0.087988 5C 3pz -0.377505 -1.170971 0.350972 0.202791 -0.476233 0.143066 5C 3px -0.235305 -0.698505 -0.122883 0.252017 -0.426100 -0.592929 5C 3py 0.659744 1.885627 -0.487840 -0.569084 0.761071 0.046181 5C 1dz2 -0.002310 -0.000086 -0.003861 0.000118 0.006993 0.004920 5C 1dxz -0.000978 -0.000518 -0.002085 -0.000395 0.004830 0.006826 5C 1dyz -0.004789 0.001276 -0.003841 -0.004255 0.011847 0.007833 5C 1dx2y2 0.001679 0.002208 0.004102 0.001974 -0.002340 -0.002635 5C 1dxy -0.000749 0.000045 -0.000059 -0.000180 0.000486 -0.000826 5C 2dz2 0.000414 -0.001485 -0.000222 -0.004168 -0.004441 0.001628 5C 2dxz 0.003873 0.028825 -0.027000 -0.003540 0.009638 -0.036349 5C 2dyz -0.011934 -0.024417 -0.046131 0.014508 0.010699 -0.012156 5C 2dx2y2 -0.027037 -0.045343 -0.007997 0.013894 -0.017749 -0.016248 5C 2dxy -0.005855 -0.038807 0.038222 0.002882 -0.015806 0.054538 5C 1f0 0.001422 0.003727 -0.002233 -0.002214 0.002603 -0.001797 5C 1f+1 0.001599 -0.000669 0.001216 -0.002644 0.001031 0.001703 5C 1f-1 -0.000562 0.000269 -0.000752 0.000372 -0.000779 -0.002156 5C 1f+2 -0.000229 0.004403 -0.000931 0.000735 0.002305 0.001166 5C 1f-2 0.001903 0.003271 0.002836 -0.001628 -0.000852 0.003102 5C 1f+3 -0.001423 -0.004065 0.000033 0.000952 0.000006 -0.000456 5C 1f-3 0.001952 0.002055 -0.001230 -0.001119 -0.001149 -0.001524 6C 1s 0.007327 -0.018383 0.019577 -0.011527 0.020131 -0.001667 6C 2s 0.015754 -0.040424 0.043882 -0.025754 0.045409 -0.005436 6C 3s -0.021313 0.037719 -0.082555 0.033224 -0.062983 0.026139 6C 4s -0.114226 0.318054 -0.176208 0.166469 -0.237534 -0.099804 6C 5s -0.496658 2.417848 -0.923028 1.294625 -2.538779 2.242496 6C 1pz -0.052331 0.036852 -0.007348 0.046331 -0.011817 -0.021680 6C 1px -0.022263 0.030285 0.005469 0.016757 -0.028560 0.020986 6C 1py 0.038453 -0.075522 0.000253 -0.006958 0.020714 0.013708 6C 2pz -0.122849 0.090077 -0.049362 0.069738 0.014434 -0.120930 6C 2px -0.084506 0.044760 0.101977 0.060215 -0.012693 0.137495 6C 2py 0.125865 -0.185752 0.031693 0.004086 -0.005049 0.087043 6C 3pz -0.408476 1.187260 -0.380372 0.211764 -0.458673 -0.150368 6C 3px -0.263938 0.705721 0.098876 0.251412 -0.433033 0.625254 6C 3py 0.712080 -1.915007 0.531933 -0.586172 0.735528 -0.041908 6C 1dz2 0.002429 0.000125 -0.004116 -0.000125 -0.006803 0.004853 6C 1dxz 0.001055 -0.000469 -0.002296 0.000403 -0.004743 0.006934 6C 1dyz 0.004861 0.001472 -0.004237 0.004312 -0.011666 0.007892 6C 1dx2y2 -0.001808 0.002113 0.004103 -0.002055 0.002087 -0.002518 6C 1dxy 0.000738 0.000100 -0.000041 0.000185 -0.000463 -0.000995 6C 2dz2 -0.000666 -0.000994 0.000205 0.004172 0.004487 0.001031 6C 2dxz -0.004053 0.029861 -0.027419 0.004379 -0.008459 -0.036402 6C 2dyz 0.013796 -0.023868 -0.046314 -0.013510 -0.008533 -0.011880 6C 2dx2y2 0.029093 -0.044786 -0.007168 -0.013878 0.017519 -0.015109 6C 2dxy 0.005698 -0.039227 0.039170 -0.003975 0.014249 0.054305 6C 1f0 0.001486 -0.003701 0.002332 -0.002304 0.002489 0.001810 6C 1f+1 0.001645 0.000809 -0.001199 -0.002646 0.001058 -0.001676 6C 1f-1 -0.000586 -0.000378 0.000714 0.000365 -0.000792 0.002116 6C 1f+2 -0.000132 -0.004571 0.001063 0.000742 0.002260 -0.001195 6C 1f-2 0.002103 -0.003234 -0.002839 -0.001564 -0.000732 -0.003088 6C 1f+3 -0.001518 0.004023 -0.000072 0.000921 0.000004 0.000410 6C 1f-3 0.001987 -0.001937 0.001235 -0.001164 -0.001223 0.001392 7C 1s 0.013993 0.016309 0.022000 0.023449 0.010557 0.000012 7C 2s 0.030810 0.035729 0.049079 0.052764 0.023701 -0.001782 7C 3s -0.050517 -0.024588 -0.082028 -0.074974 -0.033397 0.033325 7C 4s -0.151758 -0.324703 -0.243067 -0.281816 -0.132722 -0.196291 7C 5s -1.120434 -2.417128 -1.237314 -2.751126 -1.260620 2.187053 7C 1pz -0.100074 -0.082967 -0.009943 -0.033866 -0.006269 -0.024503 7C 1px -0.018530 -0.016103 -0.019133 -0.016003 -0.013803 -0.025227 7C 1py -0.007940 -0.045456 -0.023170 -0.028857 -0.057012 0.010507 7C 2pz -0.236616 -0.201954 -0.025707 -0.034493 0.001633 0.002634 7C 2px -0.036518 -0.000973 -0.068062 0.021854 -0.033747 -0.297062 7C 2py -0.066962 -0.092480 -0.054481 -0.005911 -0.098762 -0.034845 7C 3pz -1.026373 -1.866869 -0.690911 -0.888432 -0.529671 0.480601 7C 3px -0.073399 -0.199583 -0.392965 -0.206217 -0.266734 -0.492124 7C 3py -0.593334 -1.226729 -0.553539 -0.661753 -0.283074 -0.027874 7C 1dz2 -0.000375 0.002154 0.000666 0.002914 -0.000296 0.002061 7C 1dxz 0.001466 0.001187 -0.004994 -0.004715 -0.003542 0.002135 7C 1dyz -0.003152 0.001079 0.002834 0.009659 0.003612 -0.006800 7C 1dx2y2 -0.000740 -0.001551 0.003845 0.007637 0.000760 -0.007367 7C 1dxy 0.000107 -0.000530 0.001342 0.005286 -0.000375 -0.004811 7C 2dz2 -0.006046 -0.029622 -0.008207 -0.006433 -0.006583 -0.056758 7C 2dxz -0.004507 -0.036079 -0.007693 -0.031816 0.005221 0.099090 7C 2dyz -0.008878 -0.041724 0.009698 -0.000002 -0.009454 -0.021841 7C 2dx2y2 0.019300 0.024627 0.017429 0.012119 0.002617 0.007349 7C 2dxy 0.001414 -0.012142 0.024226 -0.005290 0.006127 0.079536 7C 1f0 0.001237 -0.001643 -0.000183 -0.000215 -0.001465 0.001708 7C 1f+1 0.000219 -0.002124 -0.000965 0.001918 -0.001499 -0.003440 7C 1f-1 -0.002379 -0.006809 -0.001536 -0.003299 -0.001071 0.004060 7C 1f+2 0.001769 0.003283 0.000919 -0.001090 0.001172 0.004530 7C 1f-2 -0.000966 -0.001717 -0.002369 -0.001068 0.000116 -0.006142 7C 1f+3 0.001364 -0.000782 -0.000295 -0.000258 -0.001981 0.003282 7C 1f-3 -0.002094 -0.001987 0.000761 0.000853 0.002709 0.003481 8C 1s -0.003476 0.003679 -0.000375 0.000490 -0.001358 0.000953 8C 2s -0.008153 0.008415 -0.000694 0.001202 -0.002862 0.001868 8C 3s 0.031249 -0.007571 -0.009758 0.003329 -0.018538 0.005455 8C 4s -0.121765 0.030208 0.030824 0.010619 0.089700 -0.041932 8C 5s 1.606668 -3.343561 0.381422 -0.916548 1.035495 -0.816799 8C 1pz 0.016895 0.005074 0.000290 -0.014388 -0.007699 -0.038111 8C 1px 0.000089 0.029183 -0.031101 0.025604 -0.039378 0.012532 8C 1py -0.002562 -0.035655 0.060864 -0.048610 0.104032 -0.042262 8C 2pz -0.013396 0.067002 -0.023916 0.022688 -0.041740 -0.023718 8C 2px -0.014042 0.053317 -0.013252 0.030112 -0.047090 0.018701 8C 2py 0.010180 -0.119911 0.049727 -0.055433 0.123963 -0.053174 8C 3pz -0.219131 0.932913 -0.274104 0.127550 -0.556177 0.348994 8C 3px -0.298328 0.671553 -0.230854 0.327878 -0.366866 -0.013275 8C 3py 0.784478 -1.646458 0.670660 -0.839152 1.138312 -0.155589 8C 1dz2 0.002881 -0.002464 0.001492 -0.002055 0.000909 0.004065 8C 1dxz -0.003026 0.004914 -0.004648 0.002149 -0.002776 -0.002879 8C 1dyz 0.009892 -0.013620 0.005636 -0.009897 0.010001 0.000093 8C 1dx2y2 0.004429 -0.010588 0.003487 -0.002243 0.006736 -0.002623 8C 1dxy 0.004499 -0.008561 0.004499 -0.002009 0.003705 0.003324 8C 2dz2 0.001381 0.009977 0.001154 -0.004185 0.003335 -0.003991 8C 2dxz 0.016912 -0.028550 0.005935 -0.005988 0.000270 0.006630 8C 2dyz -0.036854 0.031274 0.022539 0.000359 0.021523 -0.044011 8C 2dx2y2 -0.019632 0.040025 -0.003572 0.009889 -0.005465 0.012012 8C 2dxy -0.021303 0.035279 -0.005329 0.010690 -0.009355 0.016043 8C 1f0 0.002948 -0.004463 0.001605 -0.001751 0.001705 -0.002735 8C 1f+1 -0.000197 -0.001262 0.002149 -0.000995 0.001366 -0.002336 8C 1f-1 0.003101 -0.000814 -0.001671 0.000847 -0.003056 0.004117 8C 1f+2 -0.002400 -0.001561 0.003065 -0.001662 0.004629 -0.000991 8C 1f-2 -0.000341 -0.001437 0.000258 -0.000754 0.002473 -0.000209 8C 1f+3 -0.002291 0.003532 0.000345 0.000361 0.000797 -0.002948 8C 1f-3 0.001834 -0.000582 -0.002417 0.000356 -0.002874 0.004195 9C 1s -0.006061 -0.004525 -0.001362 -0.002533 -0.000946 0.000857 9C 2s -0.014045 -0.010451 -0.002969 -0.005437 -0.002228 0.001452 9C 3s 0.046316 0.016629 -0.002986 -0.013912 0.001905 0.013082 9C 4s -0.158538 -0.053310 0.002319 0.087828 -0.027786 -0.090891 9C 5s 2.171279 3.416510 0.968016 1.284859 0.939489 -0.844209 9C 1pz 0.013717 -0.025664 -0.045123 -0.091171 -0.044128 0.025202 9C 1px 0.035075 -0.018655 -0.054382 -0.056963 -0.028000 0.058707 9C 1py -0.056169 -0.018518 -0.024994 -0.043741 0.004050 -0.019887 9C 2pz -0.023911 -0.120824 -0.049889 -0.122478 -0.043349 0.057917 9C 2px 0.011742 -0.025028 -0.038092 -0.044626 -0.027055 0.008332 9C 2py -0.025367 -0.077856 -0.043013 -0.073423 -0.028428 0.003452 9C 3pz -0.845713 -1.523506 -0.893620 -1.299326 -0.809830 0.317983 9C 3px -0.047518 -0.374848 -0.288889 -0.239338 -0.256011 -0.058042 9C 3py -1.130566 -1.109761 -0.534895 -0.788459 -0.226903 0.025632 9C 1dz2 -0.009198 -0.009463 -0.007391 -0.008324 -0.004800 -0.003089 9C 1dxz -0.009724 -0.005676 0.000855 -0.002901 0.002419 0.002691 9C 1dyz -0.013951 -0.015002 -0.011145 -0.012099 -0.008598 -0.004377 9C 1dx2y2 0.003479 0.004882 0.002147 0.004966 0.002806 -0.004819 9C 1dxy 0.000162 -0.002523 -0.000348 -0.001779 -0.003137 0.002411 9C 2dz2 0.029145 0.033502 -0.000862 -0.004344 -0.002051 0.012651 9C 2dxz -0.004983 0.030063 0.019058 0.019424 0.013298 -0.039281 9C 2dyz 0.041522 0.047408 -0.003350 -0.008770 0.008180 0.033562 9C 2dx2y2 -0.007821 -0.023820 -0.006838 -0.006232 -0.001931 0.019997 9C 2dxy 0.025972 0.010581 0.002034 -0.001809 -0.004358 0.011094 9C 1f0 0.000927 0.000374 0.000470 0.000261 -0.000361 -0.001676 9C 1f+1 -0.003269 -0.001414 0.000488 0.001626 -0.000022 -0.004558 9C 1f-1 -0.002763 -0.005110 -0.002334 -0.003196 -0.001151 0.002097 9C 1f+2 -0.000565 0.000368 -0.000260 0.001098 0.000214 0.002975 9C 1f-2 0.003346 -0.000642 -0.002869 -0.004890 -0.001581 0.003566 9C 1f+3 -0.002713 -0.003379 -0.000631 0.001319 -0.001154 -0.001674 9C 1f-3 -0.002926 -0.000406 0.002101 0.003394 0.000784 -0.006457 10H 1s -0.019530 0.016518 -0.000681 -0.015261 0.000865 -0.016506 10H 2s -0.066095 0.094015 0.049605 -0.094394 -0.000466 -0.223949 10H 3s -0.135425 -0.118151 -0.106453 -0.262905 0.034090 0.196773 10H 1pz -0.006155 0.013111 0.011373 -0.011522 -0.008441 -0.012518 10H 1px -0.002427 -0.002126 -0.000290 -0.004030 -0.003371 0.016192 10H 1py -0.010083 0.009067 0.007198 -0.008089 -0.002120 -0.002971 11H 1s -0.002267 0.014996 0.016195 -0.018745 -0.021682 0.001135 11H 2s -0.101244 0.018711 -0.018986 0.057111 -0.031546 0.168837 11H 3s 0.836714 0.013779 0.533955 -0.687932 -0.596701 -0.430835 11H 1pz -0.021095 0.007590 -0.003353 0.003822 0.002055 0.012174 11H 1px -0.015341 -0.000845 -0.006445 0.012732 0.005896 0.020650 11H 1py 0.001451 0.007577 0.009874 -0.014462 -0.007110 -0.005033 12H 1s -0.018563 0.015610 0.015896 -0.016994 -0.007327 0.015189 12H 2s -0.062609 0.048447 0.033196 -0.001411 -0.032615 0.151468 12H 3s -0.355762 0.040704 0.316786 -0.418561 0.110462 0.155489 12H 1pz -0.011114 0.010660 0.007568 -0.012225 -0.005563 -0.002278 12H 1px 0.002727 0.000155 -0.000520 0.004390 -0.004482 0.008795 12H 1py -0.004814 0.006383 -0.001799 0.003635 -0.003450 0.005534 13H 1s -0.004254 -0.013774 0.012690 0.000435 -0.008036 0.010293 13H 2s -0.043202 -0.091106 0.109205 0.013009 -0.040233 -0.003332 13H 3s 0.279408 0.135655 0.120076 -0.146654 -0.267767 0.141137 13H 1pz -0.005673 -0.010917 0.005749 0.002199 -0.003023 -0.007443 13H 1px 0.002397 -0.001542 0.000127 0.000892 -0.007626 0.000063 13H 1py 0.008560 0.013620 -0.007939 -0.008296 0.009627 0.002983 14H 1s -0.005900 -0.018204 0.002175 0.006650 -0.016898 -0.010858 14H 2s -0.055119 -0.053451 -0.022659 0.016836 -0.032428 -0.078053 14H 3s 0.241435 -0.075113 0.171495 0.022444 -0.299850 0.018058 14H 1pz -0.004520 -0.006028 0.001046 -0.000516 -0.001552 -0.005404 14H 1px -0.008618 -0.001907 -0.004698 0.002214 0.003312 -0.003245 14H 1py 0.005678 0.010788 -0.006819 -0.006735 0.008889 -0.003010 15H 1s -0.011399 -0.018585 0.009894 0.020072 -0.019772 0.000140 15H 2s -0.077982 -0.016673 -0.061934 0.022360 0.073791 0.173064 15H 3s -0.057233 -0.177755 0.527898 0.614609 -0.799523 -0.239254 15H 1pz -0.000141 -0.009689 0.012716 0.009061 -0.018732 -0.010151 15H 1px -0.002995 -0.002148 -0.003446 -0.000045 0.002426 0.004130 15H 1py 0.008114 0.004965 0.007320 0.004242 -0.010984 -0.016659 16H 1s 0.016159 -0.002277 0.011754 -0.015593 -0.005026 -0.008892 16H 2s 0.061052 0.013068 -0.020242 -0.054908 -0.036062 -0.070498 16H 3s 0.280031 -0.130461 0.418441 -0.189228 0.005025 0.110416 16H 1pz -0.005282 0.004201 -0.014078 0.001668 -0.002298 -0.005791 16H 1px 0.003014 -0.000709 0.001808 -0.003795 -0.001786 -0.001798 16H 1py -0.002699 0.001729 -0.005186 0.000519 -0.000594 -0.002256 17H 1s -0.017613 0.000687 0.009485 0.001867 0.022631 0.003984 17H 2s -0.056025 0.000749 -0.027604 0.009456 0.063554 -0.001713 17H 3s -0.319415 0.035333 0.379440 0.035274 0.334573 0.272909 17H 1pz -0.002725 0.000399 0.008222 0.000327 0.001183 0.003862 17H 1px -0.007116 0.000709 0.009626 0.001090 0.008022 0.003914 17H 1py 0.004210 -0.000346 -0.006507 -0.000588 -0.003189 -0.003907 18H 1s 0.017529 0.000853 0.008953 -0.002487 -0.023025 0.004209 18H 2s 0.056694 0.002022 -0.027584 -0.010419 -0.061271 -0.002563 18H 3s 0.311637 0.033998 0.369407 -0.047620 -0.353981 0.277722 18H 1pz -0.002685 -0.000359 -0.008244 0.000474 0.001745 -0.004114 18H 1px -0.006987 -0.000723 -0.009321 0.001410 0.008556 -0.004146 18H 1py 0.003986 0.000249 0.006109 -0.000735 -0.003421 0.003953 19H 1s -0.016092 -0.003382 0.011620 0.015691 0.003993 -0.008667 19H 2s -0.060750 0.009691 -0.019223 0.056983 0.035675 -0.071151 19H 3s -0.281092 -0.149588 0.409923 0.184405 -0.030984 0.114744 19H 1pz -0.005201 -0.004478 0.013596 0.001371 -0.003086 0.006060 19H 1px 0.003018 0.000990 -0.001926 -0.003817 -0.001560 0.001717 19H 1py -0.002795 -0.002003 0.005326 0.000420 -0.000969 0.002488 20H 1s 0.011877 -0.018255 0.010778 -0.020539 0.019143 0.000053 20H 2s 0.081080 -0.017845 -0.064239 -0.022899 -0.070551 0.171936 20H 3s 0.054855 -0.138904 0.557152 -0.633316 0.762917 -0.228122 20H 1pz -0.000123 0.009459 -0.013504 0.009301 -0.017987 0.009990 20H 1px -0.003145 0.002262 0.003608 -0.000255 0.002364 -0.004468 20H 1py 0.008473 -0.005793 -0.007534 0.004342 -0.010427 0.016396 21H 1s 0.006251 -0.018764 0.003186 -0.006432 0.016923 -0.010790 21H 2s 0.057034 -0.051035 -0.020524 -0.014747 0.032270 -0.074985 21H 3s -0.252055 -0.105715 0.181744 -0.014633 0.298433 0.031431 21H 1pz -0.004763 0.006057 -0.001134 -0.000541 -0.001356 0.005475 21H 1px -0.008925 0.001152 0.004770 0.002244 0.003287 0.003011 21H 1py 0.005826 -0.011094 0.007265 -0.006860 0.008523 0.003208 22H 1s 0.004446 -0.014872 0.013162 -0.000671 0.007331 0.010394 22H 2s 0.042850 -0.094710 0.112574 -0.015446 0.035516 -0.004845 22H 3s -0.282982 0.105813 0.127747 0.146878 0.259857 0.121439 22H 1pz -0.005707 0.011040 -0.006034 0.002249 -0.002891 0.007421 22H 1px 0.002318 0.001965 -0.000382 0.000796 -0.007578 -0.000031 22H 1py 0.008808 -0.013675 0.008546 -0.008560 0.009241 -0.003199 23H 1s 0.017530 0.016767 0.016939 0.016707 0.006567 0.015312 23H 2s 0.060999 0.054113 0.033995 -0.001827 0.029543 0.156511 23H 3s 0.340106 0.046919 0.330020 0.413081 -0.122656 0.171045 23H 1pz -0.010373 -0.011126 -0.008315 -0.012169 -0.005261 0.002123 23H 1px 0.002586 -0.000297 0.000430 0.004340 -0.004405 -0.009099 23H 1py -0.004698 -0.006888 0.001827 0.003874 -0.003484 -0.005857 24H 1s 0.001256 0.015322 0.017702 0.018572 0.020952 0.001422 24H 2s 0.098727 0.025890 -0.013881 -0.055523 0.034131 0.168673 24H 3s -0.840255 -0.029354 0.552313 0.677543 0.563265 -0.413066 24H 1pz -0.020500 -0.008756 0.002810 0.003559 0.001626 -0.011707 24H 1px -0.015486 -0.000098 0.006622 0.012799 0.005550 -0.020869 24H 1py 0.001626 -0.007467 -0.010273 -0.014087 -0.006482 0.004400 25H 1s 0.018739 0.017032 -0.000004 0.015282 -0.000661 -0.016541 25H 2s 0.061428 0.096517 0.052788 0.095030 -0.000963 -0.226970 25H 3s 0.133775 -0.132662 -0.100411 0.259805 -0.027042 0.172419 25H 1pz -0.005382 -0.013665 -0.012144 -0.011513 -0.007937 0.012828 25H 1px -0.002266 0.002283 -0.000001 -0.003865 -0.003392 -0.016115 25H 1py -0.009554 -0.009580 -0.007644 -0.008036 -0.001867 0.002744 26O 1s -0.003493 0.000024 -0.000769 0.013319 -0.001337 0.009310 26O 2s -0.008926 0.000635 -0.001712 0.033046 -0.003334 0.023756 26O 3s 0.021675 -0.011646 0.000107 -0.062347 0.006524 -0.051031 26O 4s -0.020206 0.059077 0.024773 -0.047534 0.003854 0.008603 26O 5s 0.308352 -0.260628 -0.202226 -0.495392 0.077987 -1.037918 26O 1pz 0.011652 -0.005605 -0.025870 -0.030748 0.018266 0.028337 26O 1px -0.000247 -0.011587 -0.017948 0.040126 0.037077 -0.002571 26O 1py 0.023522 -0.009851 -0.016339 0.019966 -0.034601 0.039938 26O 2pz 0.006620 0.011232 -0.011658 -0.040555 0.012815 0.006637 26O 2px 0.006540 -0.022513 -0.014830 0.049310 0.032102 0.037181 26O 2py 0.020121 -0.004157 -0.005478 0.017532 -0.036373 0.043202 26O 3pz 0.105068 -0.189292 -0.104305 0.013671 0.048699 0.176350 26O 3px -0.167390 0.068710 0.085416 0.132121 0.001735 0.400139 26O 3py -0.005825 -0.090254 -0.028171 0.082411 -0.023711 0.277177 26O 1dz2 0.000197 0.000318 0.001478 -0.000353 -0.000472 -0.001111 26O 1dxz 0.002308 -0.001740 -0.000672 0.000930 -0.000505 0.000031 26O 1dyz 0.000194 -0.000183 0.000969 0.000073 -0.000049 -0.000956 26O 1dx2y2 -0.000446 0.000519 0.000190 0.000513 -0.001377 0.002423 26O 1dxy -0.000354 -0.000629 -0.000724 0.000829 0.000491 0.001699 26O 2dz2 -0.003373 -0.001149 0.008140 -0.001135 -0.004033 0.012117 26O 2dxz 0.003425 -0.001891 -0.003313 0.003677 -0.000962 0.000158 26O 2dyz 0.004074 -0.001445 0.005231 -0.009279 -0.000792 -0.006681 26O 2dx2y2 0.008171 0.002051 -0.005658 -0.006162 -0.000685 -0.022497 26O 2dxy 0.008631 0.000540 -0.007459 -0.006311 0.002701 -0.022749 26O 1f0 0.000583 -0.000519 0.000238 0.000227 -0.000014 -0.000320 26O 1f+1 0.000235 0.000555 -0.000731 -0.000599 0.000035 -0.000705 26O 1f-1 0.000281 0.000079 -0.000104 -0.000409 0.000174 -0.000382 26O 1f+2 -0.000356 0.000514 0.000008 -0.000533 -0.000122 -0.000345 26O 1f-2 -0.000474 0.000497 -0.000690 -0.000051 0.000134 0.000559 26O 1f+3 0.000088 0.000737 -0.000395 -0.000703 -0.000527 -0.000570 26O 1f-3 0.000478 0.000424 -0.000300 -0.000842 0.000076 -0.001407 27O 1s -0.005313 -0.001440 -0.008978 -0.003687 0.010176 -0.006012 27O 2s -0.013379 -0.004149 -0.022600 -0.009033 0.025220 -0.015065 27O 3s 0.028486 0.018074 0.045859 0.015646 -0.047352 0.029689 27O 4s -0.004854 -0.055757 0.016786 0.023452 -0.034802 0.016289 27O 5s 0.392654 0.401609 0.447204 0.027665 -0.394424 0.276798 27O 1pz -0.004751 0.005080 -0.019764 0.045569 -0.006011 0.024448 27O 1px -0.007570 0.016632 -0.004342 -0.007783 0.052054 0.052172 27O 1py -0.021351 -0.014188 0.043249 0.015974 0.026148 0.015368 27O 2pz -0.004536 -0.007881 -0.008212 0.043652 -0.008672 0.026319 27O 2px -0.009598 0.020420 -0.028497 -0.005415 0.053065 0.010608 27O 2py -0.016030 0.002393 0.035177 0.014535 0.033249 0.042226 27O 3pz 0.053151 0.142736 -0.052822 0.035147 -0.006923 0.077446 27O 3px -0.169601 -0.098687 -0.095242 0.018739 0.151432 0.137077 27O 3py -0.038857 -0.171912 0.107102 0.016968 -0.015537 -0.153006 27O 1dz2 0.000606 0.000132 0.000942 -0.000186 -0.000594 0.000020 27O 1dxz 0.001308 0.001118 -0.000121 -0.001323 -0.000031 -0.000906 27O 1dyz 0.000056 0.000789 -0.001031 0.000360 0.000263 0.001580 27O 1dx2y2 -0.000536 0.000048 -0.002690 -0.000637 0.000627 -0.000651 27O 1dxy -0.000350 -0.001373 0.000664 0.000012 -0.000451 0.000343 27O 2dz2 -0.005793 -0.001632 -0.001980 -0.000562 0.005543 0.003550 27O 2dxz -0.000201 0.001373 -0.003585 -0.003153 0.000981 -0.003787 27O 2dyz -0.005172 -0.000030 -0.007272 -0.000624 0.009912 0.004543 27O 2dx2y2 0.007828 0.001934 -0.000367 -0.004645 -0.002591 0.005533 27O 2dxy -0.006651 -0.002786 -0.000230 0.000799 0.002783 0.000481 27O 1f0 -0.000048 0.000375 0.000000 -0.000519 0.000527 -0.000309 27O 1f+1 0.000483 -0.000219 0.000132 -0.000037 -0.000779 -0.000218 27O 1f-1 -0.000249 -0.000149 -0.000221 -0.000026 0.000117 0.000051 27O 1f+2 -0.000121 -0.000520 -0.000165 0.000416 -0.000287 0.000233 27O 1f-2 0.000121 -0.000039 0.000425 -0.000079 -0.000389 -0.001036 27O 1f+3 0.000493 -0.000526 -0.000236 -0.000018 -0.000979 0.000679 27O 1f-3 -0.000551 -0.000489 -0.000339 0.000060 -0.000052 0.000361 28O 1s -0.006918 0.002639 -0.007656 0.013311 0.008008 -0.008481 28O 2s -0.017537 0.007281 -0.019226 0.033056 0.019846 -0.020904 28O 3s 0.039651 -0.025785 0.038594 -0.063895 -0.036517 0.033800 28O 4s -0.020255 0.063497 0.018382 -0.037624 -0.037497 0.058046 28O 5s 0.505498 -0.543546 0.263574 -0.428346 -0.261893 0.534924 28O 1pz 0.014231 -0.013920 -0.036508 0.000736 0.027035 0.032378 28O 1px -0.001641 0.021478 -0.002366 -0.064501 0.004759 -0.051539 28O 1py 0.004569 -0.000897 -0.041796 0.003559 -0.028268 -0.012090 28O 2pz 0.012103 0.000429 -0.034731 -0.007044 0.029980 -0.028371 28O 2px -0.002257 0.020296 0.014308 -0.061370 -0.009187 0.005041 28O 2py -0.001782 0.008146 -0.037075 0.000444 -0.026224 -0.021345 28O 3pz -0.059404 -0.051557 -0.106973 0.048954 0.067067 0.143963 28O 3px 0.192714 -0.178295 -0.037214 -0.080722 0.010987 0.076287 28O 3py 0.043349 -0.101964 -0.080069 0.019646 -0.020715 0.073134 28O 1dz2 0.001380 -0.001176 -0.000804 0.001362 -0.000096 -0.001372 28O 1dxz 0.000500 0.000142 0.002096 -0.001001 -0.000995 0.000966 28O 1dyz -0.000626 -0.000026 0.000778 0.000494 0.001207 -0.000840 28O 1dx2y2 -0.001309 0.001320 -0.000757 -0.000106 -0.000426 -0.001494 28O 1dxy -0.000430 0.001075 0.001074 -0.000653 -0.001260 -0.001284 28O 2dz2 0.007841 -0.003153 0.000048 -0.001811 -0.003575 -0.004886 28O 2dxz -0.009920 0.005316 0.006887 -0.004111 -0.001106 -0.015474 28O 2dyz 0.003460 -0.003040 0.003894 -0.008871 0.001097 -0.001916 28O 2dx2y2 0.007802 -0.001866 0.000006 -0.000770 -0.003625 0.012607 28O 2dxy 0.000007 0.001017 0.004422 -0.005583 -0.003768 -0.004567 28O 1f0 -0.000064 0.000399 -0.000249 -0.000444 0.000024 0.001140 28O 1f+1 0.000865 -0.000577 0.000171 0.000306 -0.000135 -0.000162 28O 1f-1 0.000027 0.000143 -0.000124 -0.000237 -0.000327 0.001081 28O 1f+2 -0.000652 -0.000337 0.000191 0.000797 0.000427 -0.000953 28O 1f-2 0.000332 -0.000418 0.000368 -0.000250 0.000398 -0.000463 28O 1f+3 -0.000077 -0.000568 0.000089 0.000617 0.000276 -0.000655 28O 1f-3 0.000033 -0.000298 -0.000255 0.000449 0.000460 0.000340 29O 1s 0.000655 0.000228 -0.002243 -0.003055 0.001181 -0.003340 29O 2s 0.001542 0.000458 -0.004479 -0.007628 0.003181 -0.007580 29O 3s -0.001552 0.000969 -0.009088 0.015473 -0.010579 0.003982 29O 4s -0.008333 -0.007880 0.085719 0.003870 0.017793 0.055290 29O 5s -0.007458 0.009121 -0.159671 0.119026 -0.104277 -0.009127 29O 1pz 0.044813 -0.017444 0.039088 -0.012573 -0.001193 -0.005571 29O 1px 0.025439 0.001808 -0.081896 0.004373 -0.045215 -0.018408 29O 1py -0.002631 -0.004785 0.043977 0.019702 -0.002820 0.052646 29O 2pz 0.032823 -0.011474 0.029159 -0.009989 0.001899 -0.013482 29O 2px 0.017507 -0.000194 -0.056073 0.009756 -0.037435 -0.003703 29O 2py -0.000241 -0.003570 0.030672 0.023282 -0.010723 0.052867 29O 3pz 0.141323 -0.023026 0.069675 -0.054594 -0.059660 -0.019170 29O 3px 0.077855 0.012641 -0.165638 -0.037245 -0.089363 -0.096248 29O 3py -0.012300 0.000720 0.041726 -0.019052 0.041145 0.002112 29O 1dz2 0.000654 0.000050 0.000943 -0.000694 -0.000566 -0.000212 29O 1dxz -0.000820 -0.000106 0.001046 0.000644 0.001413 0.000448 29O 1dyz 0.001045 0.000254 -0.000281 -0.000864 -0.000977 -0.000941 29O 1dx2y2 -0.000048 0.000007 -0.000872 0.000158 0.000005 0.000345 29O 1dxy 0.000565 0.000027 0.000604 0.000340 -0.000772 0.000662 29O 2dz2 0.003661 -0.001596 0.007212 -0.003129 -0.000223 0.000904 29O 2dxz -0.005690 0.000163 0.004946 0.002872 0.006943 0.002238 29O 2dyz 0.002784 -0.001306 -0.000592 -0.002168 -0.000620 -0.001473 29O 2dx2y2 -0.001760 0.000230 0.000007 0.000828 0.001114 0.002290 29O 2dxy 0.002173 -0.000666 -0.000678 0.003681 -0.005443 0.003774 29O 1f0 0.000336 0.000038 -0.000542 -0.000177 -0.000146 -0.000506 29O 1f+1 0.000106 -0.000087 0.000108 0.000152 -0.000076 0.000159 29O 1f-1 -0.000082 0.000235 -0.001032 0.000248 -0.000327 -0.000251 29O 1f+2 0.000349 -0.000112 0.000259 -0.000155 -0.000215 -0.000003 29O 1f-2 0.000270 0.000008 -0.000818 0.000004 -0.000536 -0.000086 29O 1f+3 -0.000234 0.000028 0.000295 -0.000141 0.000378 -0.000295 29O 1f-3 -0.000026 0.000033 -0.000221 0.000083 -0.000171 0.000022 30O 1s -0.005875 -0.000960 -0.001018 -0.005352 0.017485 0.008232 30O 2s -0.014818 -0.002954 -0.002539 -0.013327 0.043458 0.021088 30O 3s 0.032511 0.015319 0.006073 0.025582 -0.084115 -0.047571 30O 4s -0.008410 -0.057580 0.003342 0.013444 -0.050472 0.025763 30O 5s 0.359584 0.457361 -0.229710 0.249476 -0.611421 -0.950193 30O 1pz -0.001582 0.020563 -0.032833 0.023775 0.024718 0.017185 30O 1px 0.018634 -0.007786 0.009687 0.016591 -0.049797 0.001280 30O 1py -0.023259 -0.018664 0.023160 0.033084 0.010866 -0.041866 30O 2pz 0.001738 0.011975 -0.018624 0.019092 0.022152 0.021085 30O 2px 0.014130 -0.014590 -0.001787 0.025547 -0.056061 -0.021591 30O 2py -0.017856 -0.003968 0.003137 0.032242 0.014611 -0.046621 30O 3pz -0.042959 0.023197 0.003307 0.002145 0.068246 0.213422 30O 3px 0.140103 0.221316 -0.125714 0.039233 -0.087580 -0.232432 30O 3py -0.006044 -0.091146 0.022884 0.069354 -0.042848 -0.289041 30O 1dz2 0.000971 0.000863 -0.000567 -0.001110 0.000086 0.000518 30O 1dxz 0.000234 0.000052 0.000707 0.000424 -0.000550 -0.001181 30O 1dyz -0.000022 -0.000165 -0.000703 0.000802 -0.001287 -0.000757 30O 1dx2y2 -0.000371 -0.001661 0.000508 -0.000259 -0.001164 0.001382 30O 1dxy -0.000124 0.000896 -0.001374 0.000078 0.000917 0.001811 30O 2dz2 -0.002087 -0.000798 0.000183 -0.006133 0.006209 0.008773 30O 2dxz -0.002571 -0.003547 0.011385 -0.001428 -0.000198 0.010000 30O 2dyz -0.009428 -0.005187 0.004115 -0.001547 0.009374 0.015715 30O 2dx2y2 0.000531 -0.000946 -0.004901 -0.000422 -0.001206 -0.005412 30O 2dxy 0.002573 0.005174 -0.015598 0.000972 0.005491 -0.011164 30O 1f0 0.000162 -0.000171 -0.000246 0.000275 -0.000337 -0.000837 30O 1f+1 0.000051 0.000325 -0.000101 -0.000544 0.000394 0.000145 30O 1f-1 0.000219 0.000099 0.000427 -0.000349 -0.000042 -0.000155 30O 1f+2 0.000050 0.000551 0.000981 -0.000308 0.000810 0.000081 30O 1f-2 -0.000570 -0.000153 0.000277 -0.000328 0.000737 0.001312 30O 1f+3 0.000270 0.000624 0.000270 -0.000022 0.000293 -0.000145 30O 1f-3 -0.000156 0.000300 0.001101 -0.000418 0.000416 0.000245 31O 1s 0.005920 -0.000967 -0.001631 0.005325 -0.017402 0.008441 31O 2s 0.014947 -0.002982 -0.004058 0.013259 -0.043250 0.021614 31O 3s -0.033085 0.015501 0.008946 -0.025461 0.083656 -0.048657 31O 4s 0.010177 -0.058452 0.005583 -0.013552 0.050248 0.025458 31O 5s -0.368301 0.465253 -0.211376 -0.239571 0.621099 -0.961366 31O 1pz -0.001690 -0.021321 0.034492 0.023004 0.023058 -0.016329 31O 1px 0.018935 0.009432 -0.011196 0.016719 -0.049522 -0.001255 31O 1py -0.023529 0.018049 -0.022471 0.033407 0.012149 0.041684 31O 2pz 0.001858 -0.012243 0.020206 0.018577 0.021138 -0.020328 31O 2px 0.013781 0.015735 -0.000045 0.025313 -0.056155 0.021732 31O 2py -0.018265 0.003261 -0.002241 0.032029 0.014992 0.046353 31O 3pz -0.042144 -0.022542 -0.000512 0.003128 0.067976 -0.214105 31O 3px 0.144302 -0.223554 0.125596 0.034858 -0.093204 0.230266 31O 3py -0.008191 0.089643 -0.024477 0.069152 -0.041762 0.291937 31O 1dz2 -0.000987 0.000830 -0.000576 0.001137 -0.000057 0.000566 31O 1dxz -0.000236 0.000079 0.000721 -0.000441 0.000492 -0.001187 31O 1dyz 0.000039 -0.000150 -0.000645 -0.000785 0.001322 -0.000835 31O 1dx2y2 0.000396 -0.001734 0.000588 0.000242 0.001158 0.001306 31O 1dxy 0.000126 0.000931 -0.001425 -0.000070 -0.000850 0.001862 31O 2dz2 0.002047 -0.001017 0.000011 0.006162 -0.006166 0.008784 31O 2dxz 0.002385 -0.003908 0.011461 0.001169 -0.000331 0.009916 31O 2dyz 0.009469 -0.005141 0.003932 0.001367 -0.009509 0.015615 31O 2dx2y2 -0.000414 -0.000996 -0.004845 0.000582 0.001452 -0.005392 31O 2dxy -0.002314 0.005599 -0.015921 -0.000659 -0.004776 -0.011020 31O 1f0 0.000151 0.000163 0.000239 0.000265 -0.000347 0.000823 31O 1f+1 0.000058 -0.000324 0.000117 -0.000547 0.000390 -0.000142 31O 1f-1 0.000233 -0.000086 -0.000427 -0.000343 -0.000020 0.000147 31O 1f+2 0.000090 -0.000559 -0.000945 -0.000288 0.000859 -0.000084 31O 1f-2 -0.000565 0.000163 -0.000262 -0.000320 0.000746 -0.001302 31O 1f+3 0.000294 -0.000649 -0.000251 -0.000018 0.000308 0.000150 31O 1f-3 -0.000118 -0.000294 -0.001088 -0.000398 0.000469 -0.000235 32O 1s -0.000518 0.000021 -0.002225 0.003075 -0.001143 -0.003573 32O 2s -0.001225 -0.000064 -0.004453 0.007657 -0.003141 -0.008145 32O 3s 0.001310 0.002120 -0.008821 -0.015192 0.011378 0.004821 32O 4s 0.006061 -0.007925 0.084314 -0.005363 -0.021700 0.057248 32O 5s 0.009254 0.018777 -0.156805 -0.115861 0.113843 -0.004956 32O 1pz 0.044934 0.018887 -0.036443 -0.012728 0.000885 0.005539 32O 1px 0.023695 -0.002918 0.080407 0.002529 -0.049524 0.022229 32O 1py -0.000604 0.005640 -0.043644 0.020101 -0.001235 -0.052194 32O 2pz 0.032934 0.012510 -0.027084 -0.010341 0.003663 0.013683 32O 2px 0.016292 -0.000982 0.055046 0.008453 -0.040423 0.006779 32O 2py 0.001363 0.003930 -0.030682 0.023406 -0.009779 -0.052059 32O 3pz 0.142211 0.028457 -0.066761 -0.055327 -0.055934 0.017167 32O 3px 0.074046 -0.011522 0.162225 -0.041072 -0.097393 0.103349 32O 3py -0.008339 0.002649 -0.040934 -0.019467 0.041450 -0.000494 32O 1dz2 -0.000628 -0.000006 0.000968 0.000667 0.000447 -0.000141 32O 1dxz 0.000823 -0.000075 0.000978 -0.000695 -0.001469 0.000490 32O 1dyz -0.001068 0.000210 -0.000231 0.000914 0.000978 -0.000937 32O 1dx2y2 0.000102 0.000013 -0.000871 -0.000165 0.000015 0.000291 32O 1dxy -0.000552 -0.000004 0.000609 -0.000354 0.000704 0.000694 32O 2dz2 -0.003519 -0.001833 0.007128 0.002931 -0.000323 0.001206 32O 2dxz 0.005696 0.000346 0.004630 -0.003041 -0.007263 0.002406 32O 2dyz -0.002721 -0.001483 -0.000280 0.002243 0.000521 -0.001349 32O 2dx2y2 0.001815 0.000352 -0.000000 -0.000855 -0.001160 0.002065 32O 2dxy -0.002109 -0.000516 -0.000382 -0.003662 0.005398 0.003740 32O 1f0 0.000337 -0.000016 0.000474 -0.000206 -0.000152 0.000500 32O 1f+1 0.000094 0.000086 -0.000147 0.000154 -0.000047 -0.000167 32O 1f-1 -0.000047 -0.000247 0.001027 0.000209 -0.000413 0.000317 32O 1f+2 0.000345 0.000131 -0.000297 -0.000160 -0.000181 -0.000020 32O 1f-2 0.000279 -0.000003 0.000777 -0.000014 -0.000596 0.000106 32O 1f+3 -0.000220 -0.000033 -0.000265 -0.000134 0.000384 0.000281 32O 1f-3 -0.000043 -0.000049 0.000219 0.000081 -0.000170 0.000003 33O 1s 0.007017 0.003116 -0.008171 -0.013124 -0.007616 -0.008288 33O 2s 0.017754 0.008490 -0.020491 -0.032583 -0.018857 -0.020422 33O 3s -0.039544 -0.028531 0.040764 0.062901 0.034440 0.032794 33O 4s 0.016747 0.065077 0.021885 0.037540 0.037040 0.057706 33O 5s -0.491429 -0.577932 0.269935 0.416633 0.247845 0.527978 33O 1pz 0.012644 0.015081 0.037890 0.000238 0.025380 -0.031436 33O 1px -0.000622 -0.020101 0.001512 -0.064688 0.004367 0.051811 33O 1py 0.004203 0.001673 0.040561 0.002527 -0.030690 0.012103 33O 2pz 0.011030 0.000806 0.036241 -0.007746 0.028425 0.029716 33O 2px -0.000809 -0.019527 -0.015662 -0.060911 -0.008729 -0.005038 33O 2py -0.001805 -0.007636 0.035831 -0.000588 -0.028295 0.021676 33O 3pz -0.064372 0.047216 0.107249 0.046076 0.062196 -0.146403 33O 3px 0.185235 0.192676 0.041077 -0.079284 0.008644 -0.078824 33O 3py 0.037875 0.104846 0.080006 0.018983 -0.024625 -0.076265 33O 1dz2 -0.001304 -0.001238 -0.000853 -0.001347 0.000132 -0.001283 33O 1dxz -0.000558 0.000106 0.002146 0.000947 0.000892 0.000919 33O 1dyz 0.000615 -0.000007 0.000717 -0.000522 -0.001250 -0.000814 33O 1dx2y2 0.001264 0.001409 -0.000712 0.000136 0.000469 -0.001530 33O 1dxy 0.000351 0.001107 0.001157 0.000659 0.001220 -0.001341 33O 2dz2 -0.007675 -0.003600 0.000018 0.001771 0.003566 -0.004847 33O 2dxz 0.009501 0.005878 0.007346 0.004143 0.000795 -0.015705 33O 2dyz -0.003518 -0.003498 0.003903 0.008733 -0.001275 -0.001909 33O 2dx2y2 -0.007756 -0.002234 -0.000056 0.000652 0.003643 0.012811 33O 2dxy -0.000151 0.000959 0.004724 0.005534 0.003560 -0.004685 33O 1f0 -0.000049 -0.000394 0.000238 -0.000447 0.000009 -0.001144 33O 1f+1 0.000836 0.000625 -0.000143 0.000318 -0.000121 0.000162 33O 1f-1 0.000027 -0.000152 0.000101 -0.000240 -0.000332 -0.001075 33O 1f+2 -0.000664 0.000294 -0.000172 0.000797 0.000443 0.000971 33O 1f-2 0.000327 0.000448 -0.000343 -0.000239 0.000416 0.000458 33O 1f+3 -0.000102 0.000561 -0.000070 0.000614 0.000285 0.000678 33O 1f-3 0.000016 0.000293 0.000285 0.000447 0.000448 -0.000344 34O 1s 0.005583 -0.001161 -0.009165 0.003838 -0.009667 -0.006602 34O 2s 0.014077 -0.003458 -0.023063 0.009414 -0.023937 -0.016522 34O 3s -0.030206 0.016834 0.046696 -0.016420 0.044706 0.032377 34O 4s 0.006256 -0.057258 0.017561 -0.023827 0.034168 0.018762 34O 5s -0.419997 0.391759 0.455110 -0.033599 0.370454 0.294131 34O 1pz -0.005204 -0.006144 0.020347 0.045397 -0.007064 -0.024300 34O 1px -0.007000 -0.017729 0.006445 -0.007574 0.051625 -0.052147 34O 1py -0.021202 0.013668 -0.042119 0.017089 0.028526 -0.014032 34O 2pz -0.005121 0.007377 0.008623 0.043834 -0.009212 -0.025995 34O 2px -0.009694 -0.022077 0.030702 -0.005743 0.051577 -0.010722 34O 2py -0.015520 -0.003089 -0.033511 0.015528 0.035291 -0.041068 34O 3pz 0.056912 -0.144717 0.054792 0.033534 -0.009357 -0.077822 34O 3px -0.176629 0.097163 0.099867 0.018615 0.146692 -0.135314 34O 3py -0.041615 0.174815 -0.109582 0.018712 -0.010857 0.154490 34O 1dz2 -0.000633 0.000114 0.000955 0.000165 0.000540 0.000085 34O 1dxz -0.001352 0.001077 -0.000120 0.001348 0.000047 -0.000941 34O 1dyz -0.000059 0.000833 -0.001056 -0.000346 -0.000214 0.001593 34O 1dx2y2 0.000602 0.000023 -0.002693 0.000686 -0.000485 -0.000681 34O 1dxy 0.000367 -0.001450 0.000686 -0.000006 0.000424 0.000433 34O 2dz2 0.005995 -0.001660 -0.002151 0.000537 -0.005496 0.003571 34O 2dxz 0.000266 0.001374 -0.003586 0.003240 -0.000817 -0.003836 34O 2dyz 0.005329 0.000242 -0.007586 0.000753 -0.009520 0.004453 34O 2dx2y2 -0.008007 0.001832 -0.000277 0.004630 0.002700 0.005349 34O 2dxy 0.006753 -0.002810 -0.000236 -0.000778 -0.002776 0.000592 34O 1f0 -0.000039 -0.000376 0.000016 -0.000520 0.000527 0.000323 34O 1f+1 0.000484 0.000231 -0.000158 -0.000041 -0.000772 0.000223 34O 1f-1 -0.000259 0.000150 0.000219 -0.000029 0.000105 -0.000048 34O 1f+2 -0.000139 0.000530 0.000147 0.000415 -0.000299 -0.000216 34O 1f-2 0.000131 0.000048 -0.000444 -0.000074 -0.000369 0.001051 34O 1f+3 0.000476 0.000551 0.000202 -0.000019 -0.000990 -0.000696 34O 1f-3 -0.000573 0.000507 0.000326 0.000055 -0.000071 -0.000362 35O 1s 0.003509 0.000660 -0.000845 -0.013285 0.001369 0.008718 35O 2s 0.008933 0.002234 -0.001892 -0.032963 0.003407 0.022294 35O 3s -0.021111 -0.015021 0.000287 0.062155 -0.006591 -0.048329 35O 4s 0.016782 0.059166 0.025911 0.047527 -0.004750 0.010896 35O 5s -0.294698 -0.298126 -0.203187 0.498662 -0.064330 -1.015562 35O 1pz 0.010717 0.006674 0.026603 -0.031052 0.017055 -0.029037 35O 1px -0.001696 0.011119 0.020413 0.039773 0.036360 0.002591 35O 1py 0.023560 0.010872 0.015395 0.019318 -0.035717 -0.040584 35O 2pz 0.006526 -0.010592 0.012016 -0.040743 0.012379 -0.006966 35O 2px 0.004526 0.021801 0.017528 0.049395 0.031899 -0.037003 35O 2py 0.020551 0.004947 0.004314 0.016955 -0.036932 -0.043266 35O 3pz 0.095326 0.196433 0.108555 0.013060 0.044011 -0.177407 35O 3px -0.163475 -0.083531 -0.085835 0.133599 0.007686 -0.396653 35O 3py -0.009715 0.088847 0.029035 0.083754 -0.023864 -0.279100 35O 1dz2 -0.000247 0.000301 0.001500 0.000323 0.000402 -0.001074 35O 1dxz -0.002216 -0.001849 -0.000704 -0.000918 0.000528 -0.000043 35O 1dyz -0.000209 -0.000185 0.000975 -0.000086 0.000002 -0.001019 35O 1dx2y2 0.000410 0.000591 0.000243 -0.000504 0.001362 0.002401 35O 1dxy 0.000400 -0.000595 -0.000758 -0.000838 -0.000466 0.001628 35O 2dz2 0.003261 -0.000875 0.008322 0.000867 0.003549 0.012264 35O 2dxz -0.003191 -0.002027 -0.003424 -0.003637 0.001119 0.000127 35O 2dyz -0.004188 -0.002001 0.005350 0.009193 0.000576 -0.006692 35O 2dx2y2 -0.008080 0.001327 -0.005655 0.006374 0.001039 -0.022348 35O 2dxy -0.008487 -0.000186 -0.007661 0.006528 -0.002235 -0.022787 35O 1f0 0.000561 0.000552 -0.000219 0.000235 0.000002 0.000320 35O 1f+1 0.000242 -0.000521 0.000719 -0.000623 -0.000008 0.000701 35O 1f-1 0.000283 -0.000047 0.000110 -0.000413 0.000166 0.000359 35O 1f+2 -0.000329 -0.000533 -0.000033 -0.000537 -0.000126 0.000363 35O 1f-2 -0.000469 -0.000525 0.000685 -0.000064 0.000099 -0.000578 35O 1f+3 0.000104 -0.000718 0.000357 -0.000715 -0.000551 0.000554 35O 1f-3 0.000493 -0.000376 0.000296 -0.000851 0.000051 0.001401 150 151 152 153 154 155 0.19573 0.19730 0.20492 0.21243 0.21870 0.22087 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s 0.007935 0.000557 0.000596 -0.002550 0.001324 0.001295 0Rh 2s -0.030720 -0.002240 -0.001797 0.008325 -0.005183 -0.005133 0Rh 3s 0.027097 0.001852 0.002351 -0.009673 0.004489 0.004351 0Rh 4s 0.134997 0.009895 0.007652 -0.035875 0.022845 0.022650 0Rh 5s -0.112761 -0.009100 -0.002157 0.017108 -0.019642 -0.019985 0Rh 6s -0.222488 -0.012911 -0.029264 0.109852 -0.035541 -0.033684 0Rh 7s 0.335425 0.088244 -0.014686 0.238286 0.090075 0.051463 0Rh 8s -2.429455 -0.343508 0.309055 -1.469023 -0.540706 -0.351233 0Rh 1pz 0.010549 0.002580 -0.008175 -0.008087 -0.002130 -0.006838 0Rh 1px -0.014415 0.005369 -0.007673 0.004087 -0.004388 -0.004948 0Rh 1py -0.004074 -0.003807 0.003452 -0.004997 0.008316 -0.003855 0Rh 2pz -0.036339 -0.008877 0.028172 0.027770 0.007370 0.023479 0Rh 2px 0.049846 -0.018435 0.026415 -0.014040 0.015086 0.017063 0Rh 2py 0.014020 0.013100 -0.011893 0.017322 -0.028567 0.013291 0Rh 3pz 0.034996 0.008304 -0.027276 -0.024941 -0.007714 -0.020941 0Rh 3px -0.051677 0.016554 -0.025021 0.012678 -0.013818 -0.016679 0Rh 3py -0.013212 -0.012252 0.011370 -0.018590 0.025625 -0.012954 0Rh 4pz 0.035038 0.009489 -0.026280 -0.033836 -0.004378 -0.029450 0Rh 4px -0.033962 0.022849 -0.027532 0.017598 -0.018000 -0.015579 0Rh 4py -0.014776 -0.014103 0.011865 -0.009479 0.035589 -0.012103 0Rh 5pz 0.039985 0.010214 -0.040212 -0.018731 -0.014350 -0.011961 0Rh 5px -0.082821 0.006407 -0.022932 -0.000389 -0.005092 -0.022393 0Rh 5py -0.012302 -0.014500 0.015692 -0.038227 0.017488 -0.015790 0Rh 6pz -0.943392 -0.120290 0.573076 0.364426 0.111885 0.443896 0Rh 6px 1.820324 -0.084550 0.352526 -0.106380 0.230771 0.550245 0Rh 6py 0.383128 0.196006 -0.221728 0.412245 -0.683025 0.243942 0Rh 1dz2 -0.006217 0.007975 -0.003678 -0.005429 -0.000395 0.000312 0Rh 1dxz -0.001377 -0.004607 0.016344 0.012062 -0.000786 -0.004638 0Rh 1dyz -0.001842 -0.006532 0.005894 0.002742 -0.002946 0.003353 0Rh 1dx2y2 0.006276 0.003688 0.009166 -0.001427 -0.003405 0.002131 0Rh 1dxy 0.001523 0.008297 -0.004009 0.006569 0.001825 0.000496 0Rh 2dz2 -0.000171 -0.000090 -0.000627 0.000035 -0.000073 0.000228 0Rh 2dxz -0.000803 0.000003 0.000325 0.000123 0.000188 0.000548 0Rh 2dyz -0.000118 -0.000359 -0.000164 -0.000559 -0.000440 0.000259 0Rh 2dx2y2 0.000683 -0.000553 0.000338 -0.000430 0.000389 0.000330 0Rh 2dxy 0.000493 0.000002 -0.000206 0.000385 -0.000604 0.000526 0Rh 3dz2 0.011689 -0.013667 0.009044 0.009454 0.001001 -0.001487 0Rh 3dxz 0.005638 0.008109 -0.030167 -0.021826 0.000628 0.006058 0Rh 3dyz 0.003721 0.012963 -0.009650 -0.002530 0.007038 -0.006980 0Rh 3dx2y2 -0.013722 -0.004257 -0.017514 0.004237 0.004535 -0.005081 0Rh 3dxy -0.004603 -0.014644 0.007965 -0.013192 -0.000817 -0.002960 0Rh 4dz2 0.005899 -0.012429 -0.003219 0.007802 -0.000386 0.002686 0Rh 4dxz -0.008616 0.006254 -0.018564 -0.014423 0.003171 0.012419 0Rh 4dyz 0.001295 0.004652 -0.011077 -0.011464 -0.001820 -0.001280 0Rh 4dx2y2 0.000990 -0.012169 -0.008682 -0.003941 0.008959 0.001007 0Rh 4dxy 0.004257 -0.011459 0.002694 -0.004469 -0.009599 0.005341 0Rh 5dz2 0.041612 -0.017945 0.056580 0.016154 0.001263 -0.017567 0Rh 5dxz 0.057191 0.018323 -0.075682 -0.067141 -0.005703 0.003538 0Rh 5dyz 0.009658 0.052889 -0.000068 0.032034 0.038602 -0.027369 0Rh 5dx2y2 -0.084978 0.019934 -0.052930 0.049393 0.005521 -0.025988 0Rh 5dxy -0.038394 -0.027927 0.030658 -0.036059 0.016896 -0.022632 0Rh 1f0 -0.001811 0.000995 0.000603 0.000794 0.001251 -0.002243 0Rh 1f+1 0.003873 -0.000765 0.000362 -0.000894 -0.000614 -0.003596 0Rh 1f-1 0.001966 0.000446 -0.001586 -0.001832 0.000217 -0.003944 0Rh 1f+2 -0.000041 -0.001018 0.002440 -0.001621 0.002356 0.004890 0Rh 1f-2 -0.000330 -0.001654 0.001598 -0.001019 0.004371 -0.000886 0Rh 1f+3 0.005221 0.000493 0.000243 -0.002897 -0.004103 -0.000296 0Rh 1f-3 0.001478 0.000645 0.000374 -0.001125 0.004174 -0.001318 1Rh 1s -0.007848 -0.000167 0.000576 -0.002437 -0.001410 -0.001212 1Rh 2s 0.030452 0.000569 -0.001716 0.007885 0.005471 0.004843 1Rh 3s -0.026755 -0.000620 0.002288 -0.009285 -0.004808 -0.004047 1Rh 4s -0.133857 -0.002450 0.007296 -0.033939 -0.024095 -0.021384 1Rh 5s 0.112390 0.001243 -0.001815 0.015485 0.020331 0.019183 1Rh 6s 0.218356 0.007310 -0.028835 0.106687 0.039017 0.030594 1Rh 7s -0.337851 0.057935 -0.015426 0.245033 -0.084488 -0.055458 1Rh 8s 2.472829 -0.123835 0.317975 -1.509664 0.501376 0.381827 1Rh 1pz 0.010916 -0.001458 0.008211 0.007891 -0.001975 -0.007075 1Rh 1px -0.014143 -0.006634 0.007580 -0.003894 -0.004445 -0.005070 1Rh 1py -0.004111 0.003618 -0.003310 0.004708 0.008480 -0.003906 1Rh 2pz -0.037602 0.005011 -0.028298 -0.027095 0.006841 0.024288 1Rh 2px 0.048910 0.022807 -0.026095 0.013374 0.015285 0.017483 1Rh 2py 0.014147 -0.012450 0.011406 -0.016327 -0.029134 0.013465 1Rh 3pz 0.036178 -0.004612 0.027425 0.024315 -0.007286 -0.021630 1Rh 3px -0.050797 -0.021069 0.024692 -0.012046 -0.014004 -0.017072 1Rh 3py -0.013313 0.011659 -0.010934 0.017642 0.026198 -0.013133 1Rh 4pz 0.036394 -0.005635 0.026293 0.033067 -0.003545 -0.030568 1Rh 4px -0.032959 -0.025923 0.027317 -0.016889 -0.018229 -0.016033 1Rh 4py -0.015002 0.013343 -0.011255 0.008467 0.036030 -0.012231 1Rh 5pz 0.041272 -0.006291 0.040599 0.018293 -0.014398 -0.012419 1Rh 5px -0.082128 -0.013340 0.022271 0.000705 -0.005095 -0.022823 1Rh 5py -0.012197 0.014143 -0.015475 0.037165 0.018513 -0.016052 1Rh 6pz -0.955785 0.026529 -0.578081 -0.348092 0.109076 0.457210 1Rh 6px 1.811531 0.240515 -0.338384 0.094208 0.234423 0.556142 1Rh 6py 0.377895 -0.178697 0.213466 -0.387568 -0.697317 0.244539 1Rh 1dz2 0.005053 0.008510 -0.003716 -0.005556 0.000185 -0.000138 1Rh 1dxz 0.001620 -0.004518 0.016319 0.012173 0.001119 0.003960 1Rh 1dyz 0.002252 -0.006207 0.005886 0.002789 0.003118 -0.003543 1Rh 1dx2y2 -0.006380 0.003233 0.009006 -0.001530 0.003124 -0.002030 1Rh 1dxy -0.001522 0.008156 -0.004114 0.006681 -0.001619 -0.000488 1Rh 2dz2 0.000181 -0.000074 -0.000624 0.000040 0.000084 -0.000231 1Rh 2dxz 0.000830 0.000082 0.000327 0.000115 -0.000198 -0.000524 1Rh 2dyz 0.000145 -0.000359 -0.000168 -0.000569 0.000410 -0.000258 1Rh 2dx2y2 -0.000653 -0.000612 0.000335 -0.000411 -0.000392 -0.000338 1Rh 2dxy -0.000476 -0.000031 -0.000200 0.000362 0.000610 -0.000535 1Rh 3dz2 -0.009680 -0.014677 0.009102 0.009661 -0.000675 0.001191 1Rh 3dxz -0.006177 0.007637 -0.030134 -0.021991 -0.001179 -0.004955 1Rh 3dyz -0.004552 0.012392 -0.009621 -0.002570 -0.007219 0.007314 1Rh 3dx2y2 0.013786 -0.003224 -0.017220 0.004346 -0.004027 0.004935 1Rh 3dxy 0.004534 -0.014269 0.008126 -0.013297 0.000429 0.002981 1Rh 4dz2 -0.004148 -0.012924 -0.003134 0.008024 0.000806 -0.002968 1Rh 4dxz 0.008628 0.007156 -0.018493 -0.014675 -0.003726 -0.011198 1Rh 4dyz -0.001540 0.004167 -0.011111 -0.011670 0.001187 0.001554 1Rh 4dx2y2 -0.000442 -0.012379 -0.008494 -0.003581 -0.008629 -0.001240 1Rh 4dxy -0.004051 -0.011708 0.002904 -0.004890 0.009376 -0.005467 1Rh 5dz2 -0.038134 -0.021504 0.056534 0.016348 -0.001106 0.017397 1Rh 5dxz -0.059316 0.013235 -0.075923 -0.067326 0.004474 -0.002036 1Rh 5dyz -0.013258 0.052088 0.000013 0.032469 -0.037198 0.028556 1Rh 5dx2y2 0.082757 0.026764 -0.052071 0.049212 -0.003677 0.025766 1Rh 5dxy 0.037043 -0.024981 0.030951 -0.035569 -0.017609 0.023194 1Rh 1f0 -0.001673 -0.001106 -0.000609 -0.000866 0.001279 -0.002229 1Rh 1f+1 0.003801 0.001158 -0.000341 0.000831 -0.000603 -0.003590 1Rh 1f-1 0.002067 -0.000169 0.001636 0.001722 0.000261 -0.004048 1Rh 1f+2 -0.000114 0.000928 -0.002414 0.001629 0.002401 0.004887 1Rh 1f-2 -0.000431 0.001651 -0.001530 0.000857 0.004402 -0.000803 1Rh 1f+3 0.005233 -0.000023 -0.000298 0.002946 -0.004012 -0.000356 1Rh 1f-3 0.001538 -0.000429 -0.000302 0.000981 0.004210 -0.001382 2C 1s 0.000223 -0.001354 -0.000948 0.000646 -0.003352 -0.002918 2C 2s 0.000456 -0.002761 -0.001683 0.001643 -0.006653 -0.006108 2C 3s 0.003653 -0.004858 -0.009451 -0.008493 -0.011761 0.000870 2C 4s -0.023921 0.077059 0.089326 0.049055 0.188716 0.116676 2C 5s 0.190062 -0.413826 0.413547 -0.800362 -0.221701 -1.285531 2C 1pz 0.003960 0.027698 -0.021669 -0.016561 0.025465 0.004982 2C 1px -0.021971 -0.001515 0.016506 -0.008483 0.024049 -0.041679 2C 1py -0.012855 0.008616 0.008512 0.019989 -0.012697 0.017576 2C 2pz -0.011547 0.042916 0.004900 -0.014516 0.039394 -0.025004 2C 2px 0.002251 -0.007942 -0.002523 -0.039362 0.004801 -0.037575 2C 2py -0.004980 -0.029304 0.019612 0.016691 -0.018734 0.000533 2C 3pz 0.332081 -0.387084 -0.150071 0.000143 -0.320914 -0.238349 2C 3px -0.943697 -0.287328 -0.294818 0.369331 -0.882074 0.445644 2C 3py -0.265150 0.625118 0.408401 -0.486311 0.742006 -0.424502 2C 1dz2 -0.002115 -0.000615 0.001775 0.002301 -0.000019 0.000538 2C 1dxz 0.000650 -0.005732 -0.007853 -0.004111 -0.007155 0.003499 2C 1dyz 0.004804 0.000698 0.004170 0.001137 0.003385 -0.002128 2C 1dx2y2 0.007057 -0.001222 0.001476 0.001474 0.003367 -0.003561 2C 1dxy 0.000933 0.008189 0.003666 -0.009702 0.010601 -0.003824 2C 2dz2 -0.006110 0.009374 0.018846 -0.001174 0.009797 -0.011375 2C 2dxz 0.013264 0.019467 0.031034 -0.026733 0.054088 -0.043693 2C 2dyz -0.006806 -0.024710 -0.018049 0.010712 -0.037972 0.016965 2C 2dx2y2 -0.007733 0.022914 -0.011726 -0.016914 0.002587 0.017273 2C 2dxy 0.001777 -0.017393 -0.006900 0.014025 -0.028574 0.009469 2C 1f0 -0.001697 0.002313 0.000720 -0.001948 0.001989 0.000412 2C 1f+1 0.000537 -0.002908 -0.002802 0.001893 -0.005176 0.003460 2C 1f-1 -0.000331 -0.000334 0.001663 0.001955 0.001018 -0.001695 2C 1f+2 0.001777 0.000352 0.001519 -0.001087 0.001662 -0.003636 2C 1f-2 0.001118 0.003301 0.002240 -0.003038 0.005596 -0.001936 2C 1f+3 0.000636 0.000978 0.000387 -0.002793 0.001964 -0.002065 2C 1f-3 -0.001297 -0.002338 -0.003248 0.001574 -0.005410 0.004371 3C 1s -0.000825 0.002419 0.000816 0.002226 -0.001610 0.002120 3C 2s -0.001679 0.004864 0.001658 0.004685 -0.003292 0.004244 3C 3s 0.000287 0.009573 -0.000751 0.002988 0.000404 0.007240 3C 4s 0.028822 -0.144417 -0.024114 -0.085987 0.066677 -0.111312 3C 5s 0.146428 0.350933 0.025912 -1.135485 -1.311283 0.053519 3C 1pz 0.002903 -0.013405 -0.011696 0.036261 0.056005 0.025801 3C 1px -0.020909 -0.013514 0.017705 -0.039864 -0.026569 0.017547 3C 1py 0.002401 0.001969 -0.001103 0.006838 0.019305 0.033795 3C 2pz -0.002312 -0.018212 0.020872 -0.008860 0.029165 0.027550 3C 2px 0.011870 0.023447 -0.017291 -0.059172 -0.024438 0.028171 3C 2py 0.011067 0.030200 -0.014021 0.025389 0.053321 0.046745 3C 3pz 0.455628 -0.569345 -0.327532 -0.578784 -0.880591 -0.892345 3C 3px -1.031531 -0.172355 -0.136698 0.487611 0.230965 -0.777519 3C 3py -0.106387 -0.478623 -0.307127 0.171558 0.015919 -0.775426 3C 1dz2 -0.002381 0.002981 0.004341 0.003827 0.004883 0.008335 3C 1dxz -0.005266 0.001924 -0.009470 0.004237 0.004197 -0.008884 3C 1dyz -0.003767 0.009936 -0.000915 0.005767 0.006746 0.004691 3C 1dx2y2 0.004625 -0.003592 -0.004914 -0.002322 -0.004969 -0.006205 3C 1dxy -0.004925 -0.006912 0.002110 0.001873 -0.002060 -0.006350 3C 2dz2 -0.001035 0.011807 0.006514 -0.001789 -0.001262 -0.001909 3C 2dxz 0.012791 -0.000572 0.030416 -0.031928 -0.025213 0.045496 3C 2dyz 0.018393 -0.034820 -0.006553 -0.048321 -0.057967 -0.039310 3C 2dx2y2 -0.005755 0.026265 0.004745 0.026676 0.044896 0.044346 3C 2dxy -0.011740 0.006421 0.002365 0.022163 0.032673 0.016315 3C 1f0 -0.000966 0.002942 0.001033 0.003108 0.005919 0.006440 3C 1f+1 -0.001855 0.002843 -0.002857 0.004991 0.006067 -0.000371 3C 1f-1 0.000976 -0.002432 -0.002651 -0.003045 -0.003618 -0.005720 3C 1f+2 0.000594 0.003432 -0.002135 0.002587 0.001477 0.000692 3C 1f-2 -0.000192 -0.000818 0.002387 -0.001666 -0.002774 0.001760 3C 1f+3 0.000829 0.001866 0.002351 0.001037 0.001976 0.006658 3C 1f-3 0.002983 -0.002763 0.001910 -0.005557 -0.005896 0.000087 4C 1s -0.003493 0.006679 -0.006630 0.003129 0.000608 0.006951 4C 2s -0.007451 0.015168 -0.014326 0.005586 0.001529 0.013980 4C 3s -0.006935 -0.028652 -0.004491 0.006478 -0.031326 0.002101 4C 4s 0.147577 -0.088422 0.271324 -0.180714 0.176948 -0.236372 4C 5s -0.048618 -0.248052 -0.296842 1.861096 -0.209822 1.467266 4C 1pz -0.025363 0.020949 0.032401 -0.003168 0.019394 -0.019200 4C 1px 0.062329 0.023434 -0.000021 -0.039948 0.027589 0.004214 4C 1py 0.023593 -0.076742 -0.047269 0.009796 -0.050607 -0.003607 4C 2pz 0.009757 0.047961 0.165831 0.103446 0.094950 -0.067007 4C 2px -0.005773 0.075759 -0.138441 -0.301446 0.053774 0.053846 4C 2py 0.040964 -0.187214 -0.107534 -0.005607 -0.090186 -0.002299 4C 3pz -0.139050 -0.251263 0.424338 0.331637 0.095157 -0.396255 4C 3px 0.667195 0.079267 -0.401867 -1.147168 0.488556 -0.214754 4C 3py 0.150909 0.032653 0.195318 -0.040526 0.019212 -0.178753 4C 1dz2 0.001512 0.002634 0.001926 -0.004499 0.004848 -0.001559 4C 1dxz -0.003718 -0.000163 0.002591 0.006360 0.001102 -0.000864 4C 1dyz 0.000342 0.001813 -0.001921 -0.003249 0.000218 -0.000426 4C 1dx2y2 -0.001014 0.007032 0.000776 -0.005405 0.006599 -0.000521 4C 1dxy -0.003252 0.001709 0.004190 0.000531 0.002114 -0.000445 4C 2dz2 0.024233 0.000795 0.032585 0.045651 0.004354 -0.024973 4C 2dxz -0.032002 0.004300 -0.086645 -0.090073 -0.053736 0.016332 4C 2dyz 0.012513 0.018298 0.005083 0.002511 0.037205 0.006098 4C 2dx2y2 0.001692 -0.000338 0.013796 0.026975 0.016738 0.035378 4C 2dxy -0.024835 0.013431 -0.029904 -0.064465 0.017311 0.036135 4C 1f0 0.002341 -0.001444 -0.000979 0.001132 -0.000666 -0.001310 4C 1f+1 -0.003111 -0.000822 -0.004628 -0.002454 -0.002781 -0.001826 4C 1f-1 0.000125 -0.000317 0.002531 0.002119 -0.000066 -0.001542 4C 1f+2 -0.000090 0.001254 0.004346 0.002551 0.004163 0.000633 4C 1f-2 -0.003476 0.001082 -0.003521 -0.005281 -0.002936 0.001526 4C 1f+3 -0.000879 -0.003840 -0.000099 0.003548 -0.000961 0.000112 4C 1f-3 0.001779 0.001666 0.002157 0.003805 -0.002611 -0.004500 5C 1s -0.003298 -0.000815 0.000409 0.006574 0.006487 -0.000967 5C 2s -0.006990 -0.002235 0.001023 0.012985 0.012809 -0.002275 5C 3s -0.004407 0.007617 0.011152 0.023937 0.013788 0.012280 5C 4s 0.128498 0.007064 -0.096039 -0.406653 -0.282818 -0.043743 5C 5s -0.121417 0.371044 -0.463075 1.944174 1.638674 0.260439 5C 1pz -0.032047 0.067673 0.053908 -0.001085 -0.004033 0.052910 5C 1px 0.068299 0.041342 -0.021483 -0.010274 -0.000168 0.024423 5C 1py 0.006719 0.038684 0.020516 -0.006563 0.012395 0.036477 5C 2pz -0.028860 0.091464 0.198740 -0.062299 -0.059457 0.157613 5C 2px 0.048057 0.295303 -0.297312 0.069298 0.111428 -0.091034 5C 2py -0.029799 0.145845 0.020015 0.023827 0.075816 0.074777 5C 3pz -0.221715 -0.292551 0.103859 0.020701 -0.092702 0.160708 5C 3px 0.834726 0.829806 -0.945333 -0.270176 0.028097 -0.053426 5C 3py 0.057520 -0.070941 -0.052616 0.465646 0.586539 0.201094 5C 1dz2 0.000436 0.006910 0.000504 0.006273 0.003164 0.006689 5C 1dxz -0.002505 0.001213 0.002234 0.000787 0.000944 0.004107 5C 1dyz -0.001207 -0.000124 0.000476 0.004983 0.000734 -0.001360 5C 1dx2y2 -0.002921 -0.000783 0.004520 -0.002040 0.000948 0.003179 5C 1dxy 0.003243 0.003237 -0.004802 -0.000776 0.001264 0.000911 5C 2dz2 0.006505 -0.024421 0.054371 -0.011733 -0.032331 0.024386 5C 2dxz -0.014150 0.041019 -0.062175 0.029221 0.006992 -0.045908 5C 2dyz -0.021124 0.044507 -0.030539 0.037590 0.021299 0.004758 5C 2dx2y2 -0.013209 0.043063 -0.068047 0.010103 0.036996 -0.049076 5C 2dxy 0.015745 -0.073684 0.091893 -0.054560 -0.039076 0.040766 5C 1f0 0.000273 0.000742 -0.004477 0.003300 -0.000213 -0.003202 5C 1f+1 0.000360 -0.005420 0.004072 0.000404 -0.003509 0.003861 5C 1f-1 -0.001036 0.002408 -0.003384 0.001408 0.001274 -0.001811 5C 1f+2 -0.001326 0.002235 0.000552 0.000770 0.001379 -0.000224 5C 1f-2 0.001621 -0.006889 0.005696 -0.005410 -0.002819 0.001374 5C 1f+3 -0.003172 -0.001049 0.000868 0.002442 -0.001018 -0.001912 5C 1f-3 -0.003432 0.000276 -0.005977 -0.000239 0.003122 -0.002748 6C 1s 0.003506 -0.000599 0.000325 0.006771 -0.006355 0.000669 6C 2s 0.007532 -0.001766 0.000852 0.013372 -0.012576 0.001645 6C 3s 0.002766 0.007729 0.011203 0.023990 -0.012189 -0.012230 6C 4s -0.128213 -0.000130 -0.093696 -0.413237 0.267631 0.055427 6C 5s 0.038470 0.368432 -0.480608 1.987191 -1.575087 -0.280978 6C 1pz -0.024653 -0.070313 -0.053614 0.002036 -0.002627 0.052556 6C 1px 0.071116 -0.034940 0.021736 0.010038 0.000129 0.023235 6C 1py 0.010018 -0.037993 -0.020364 0.006454 0.013283 0.036777 6C 2pz -0.015304 -0.095216 -0.197286 0.065578 -0.054727 0.157424 6C 2px 0.068550 -0.285454 0.293984 -0.073449 0.110249 -0.092865 6C 2py -0.018839 -0.146951 -0.020022 -0.024585 0.076677 0.075805 6C 3pz -0.241760 0.266865 -0.102507 -0.012538 -0.095119 0.156151 6C 3px 0.887656 -0.739493 0.938021 0.257568 0.037231 -0.075248 6C 3py 0.051437 0.078865 0.055240 -0.471352 0.566739 0.196564 6C 1dz2 -0.001186 0.006813 0.000452 0.006254 -0.002978 -0.006636 6C 1dxz 0.002140 0.001401 0.002203 0.000780 -0.000928 -0.004058 6C 1dyz 0.001024 -0.000063 0.000468 0.005040 -0.000552 0.001334 6C 1dx2y2 0.003034 -0.000508 0.004493 -0.002116 -0.001090 -0.003151 6C 1dxy -0.003490 0.002945 -0.004813 -0.000735 -0.001278 -0.000777 6C 2dz2 -0.004736 -0.024476 0.054349 -0.012725 0.032041 -0.024113 6C 2dxz 0.011689 0.041608 -0.061338 0.028787 -0.005809 0.045755 6C 2dyz 0.017676 0.045467 -0.030178 0.037407 -0.019946 -0.004449 6C 2dx2y2 0.010313 0.043030 -0.067331 0.012098 -0.036884 0.048341 6C 2dxy -0.011515 -0.074048 0.090761 -0.055525 0.038016 -0.040380 6C 1f0 0.000267 -0.000672 0.004393 -0.003292 -0.000361 -0.003114 6C 1f+1 -0.000063 0.005307 -0.004043 -0.000253 -0.003584 0.003886 6C 1f-1 -0.000901 -0.002480 0.003346 -0.001458 0.001255 -0.001782 6C 1f+2 -0.001070 -0.002336 -0.000548 -0.000810 0.001417 -0.000170 6C 1f-2 0.001139 0.006923 -0.005614 0.005441 -0.002666 0.001337 6C 1f+3 -0.003241 0.000793 -0.000920 -0.002370 -0.001174 -0.001837 6C 1f-3 -0.003474 -0.000573 0.005951 0.000154 0.003146 -0.002769 7C 1s 0.003020 0.007166 -0.006552 0.002939 -0.000603 -0.006599 7C 2s 0.006410 0.016208 -0.014148 0.005191 -0.001554 -0.013148 7C 3s 0.008442 -0.028236 -0.004675 0.006040 0.031625 -0.003884 7C 4s -0.138246 -0.105287 0.270310 -0.172780 -0.180087 0.234963 7C 5s 0.018153 -0.241243 -0.308563 1.832651 0.264351 -1.530262 7C 1pz -0.022724 -0.022972 -0.032583 0.002696 0.020150 -0.017983 7C 1px 0.065324 -0.017726 0.000478 0.038463 0.029155 0.003236 7C 1py 0.016156 0.077447 0.046658 -0.008301 -0.051737 -0.003769 7C 2pz 0.013416 -0.045718 -0.164928 -0.106337 0.093243 -0.061465 7C 2px 0.013204 -0.075354 0.139282 0.296171 0.061008 0.048441 7C 2py 0.025034 0.189003 0.106578 0.006841 -0.093044 -0.001614 7C 3pz -0.177979 0.233965 -0.426055 -0.332514 0.082085 -0.374382 7C 3px 0.696633 -0.018635 0.399632 1.117587 0.524479 -0.251390 7C 3py 0.158904 -0.023541 -0.200929 0.041068 0.025520 -0.189770 7C 1dz2 -0.001856 0.002431 0.001883 -0.004283 -0.004975 0.001557 7C 1dxz 0.003724 0.000135 0.002561 0.006405 -0.000939 0.000551 7C 1dyz -0.000335 0.001859 -0.001849 -0.003305 -0.000354 0.000771 7C 1dx2y2 0.000590 0.007032 0.000765 -0.005211 -0.006758 0.000829 7C 1dxy 0.003224 0.001995 0.004201 0.000516 -0.002138 0.000560 7C 2dz2 -0.021933 -0.001801 0.032895 0.045112 -0.003740 0.025371 7C 2dxz 0.027692 0.006947 -0.086749 -0.090778 0.052429 -0.014785 7C 2dyz -0.013365 0.016625 0.004696 0.003276 -0.036951 -0.005605 7C 2dx2y2 -0.001849 -0.000144 0.013459 0.026407 -0.015399 -0.035358 7C 2dxy 0.020224 0.015469 -0.029936 -0.063441 -0.018474 -0.035467 7C 1f0 0.002095 0.001648 0.001030 -0.001141 -0.000709 -0.001306 7C 1f+1 -0.003034 0.000597 0.004606 0.002412 -0.002713 -0.001802 7C 1f-1 -0.000036 0.000292 -0.002558 -0.002100 -0.000047 -0.001494 7C 1f+2 -0.000089 -0.001275 -0.004378 -0.002582 0.004144 0.000685 7C 1f-2 -0.003154 -0.001415 0.003530 0.005329 -0.002864 0.001517 7C 1f+3 -0.001411 0.003766 0.000087 -0.003453 -0.001151 0.000157 7C 1f-3 0.001757 -0.001413 -0.002162 -0.003789 -0.002654 -0.004434 8C 1s 0.000565 0.002475 0.000828 0.002149 0.001641 -0.002091 8C 2s 0.001165 0.004976 0.001681 0.004529 0.003360 -0.004174 8C 3s -0.001453 0.009647 -0.000843 0.002928 -0.000556 -0.007170 8C 4s -0.013277 -0.146830 -0.024180 -0.082268 -0.066624 0.109283 8C 5s -0.166277 0.342444 0.038990 -1.165190 1.269847 -0.035176 8C 1pz 0.002277 0.013860 0.012390 -0.036802 0.054661 0.026145 8C 1px -0.021872 0.011393 -0.017503 0.041187 -0.025658 0.016359 8C 1py 0.003810 -0.001643 0.001482 -0.006368 0.018435 0.032433 8C 2pz -0.003118 0.017847 -0.020320 0.008658 0.029553 0.028706 8C 2px 0.013755 -0.022625 0.017452 0.059784 -0.022799 0.025881 8C 2py 0.015197 -0.029232 0.015025 -0.025493 0.052461 0.044867 8C 3pz 0.388141 0.606843 0.321174 0.577359 -0.869502 -0.887562 8C 3px -1.047199 0.079180 0.127681 -0.487582 0.218599 -0.748182 8C 3py -0.149958 0.466070 0.302015 -0.182621 0.003885 -0.754928 8C 1dz2 0.002082 0.003223 0.004170 0.003863 -0.004894 -0.008128 8C 1dxz 0.005171 0.002152 -0.009421 0.004263 -0.003881 0.008953 8C 1dyz 0.002929 0.010102 -0.001034 0.005816 -0.006666 -0.004457 8C 1dx2y2 -0.004228 -0.003965 -0.004793 -0.002333 0.004969 0.006069 8C 1dxy 0.005409 -0.006520 0.002125 0.001798 0.002225 0.006191 8C 2dz2 -0.000192 0.011690 0.006985 -0.002161 0.001372 0.001132 8C 2dxz -0.013311 -0.001245 0.030073 -0.032566 0.023728 -0.044770 8C 2dyz -0.014160 -0.035788 -0.005959 -0.048857 0.056599 0.038510 8C 2dx2y2 0.003125 0.026392 0.003954 0.026599 -0.044137 -0.043029 8C 2dxy 0.010706 0.007579 0.001952 0.022968 -0.032824 -0.016653 8C 1f0 -0.000638 -0.003021 -0.000893 -0.003176 0.005917 0.006289 8C 1f+1 -0.001558 -0.002932 0.002880 -0.005090 0.005853 -0.000415 8C 1f-1 0.000627 0.002505 0.002572 0.003062 -0.003598 -0.005630 8C 1f+2 0.000918 -0.003325 0.002181 -0.002584 0.001389 0.000561 8C 1f-2 -0.000237 0.000684 -0.002372 0.001658 -0.002618 0.001808 8C 1f+3 0.001067 -0.001844 -0.002222 -0.001073 0.002027 0.006527 8C 1f-3 0.002653 0.002939 -0.001971 0.005671 -0.005729 0.000133 9C 1s -0.000108 -0.001340 -0.000911 0.000621 0.003351 0.002761 9C 2s -0.000203 -0.002736 -0.001622 0.001608 0.006678 0.005759 9C 3s -0.003740 -0.005012 -0.009059 -0.009008 0.010953 -0.000528 9C 4s 0.019714 0.077046 0.085836 0.052768 -0.183820 -0.113285 9C 5s -0.136920 -0.424285 0.427605 -0.789420 0.192741 1.289745 9C 1pz 0.005676 -0.027769 0.021623 0.015552 0.025879 0.004652 9C 1px -0.023940 -0.001443 -0.016604 0.008091 0.025059 -0.042639 9C 1py -0.011706 -0.009625 -0.008980 -0.018002 -0.012923 0.015354 9C 2pz -0.009214 -0.044551 -0.005196 0.012325 0.040308 -0.024657 9C 2px 0.001310 0.005741 0.002987 0.039126 0.007022 -0.038470 9C 2py -0.008078 0.029267 -0.019859 -0.015481 -0.020520 -0.001908 9C 3pz 0.286833 0.405135 0.142345 0.011227 -0.320172 -0.261023 9C 3px -0.965696 0.201555 0.290012 -0.338129 -0.911867 0.470828 9C 3py -0.209221 -0.637525 -0.402882 0.453670 0.755871 -0.407374 9C 1dz2 0.002233 -0.000416 0.001778 0.002286 0.000034 -0.000671 9C 1dxz -0.000122 -0.005622 -0.007827 -0.004393 0.007172 -0.003338 9C 1dyz -0.004726 0.000016 0.003983 0.001333 -0.003178 0.002158 9C 1dx2y2 -0.006716 -0.002119 0.001252 0.001746 -0.003022 0.003594 9C 1dxy -0.002083 0.007869 0.003660 -0.009128 -0.011033 0.003944 9C 2dz2 0.004892 0.009508 0.018463 -0.000024 -0.009420 0.009709 9C 2dxz -0.014111 0.017653 0.030843 -0.023900 -0.055322 0.044232 9C 2dyz 0.008028 -0.023317 -0.017577 0.009421 0.037710 -0.017624 9C 2dx2y2 0.005042 0.024048 -0.011576 -0.017310 -0.004003 -0.017202 9C 2dxy -0.000390 -0.016828 -0.006906 0.011883 0.028643 -0.008693 9C 1f0 -0.001406 -0.002461 -0.000731 0.001833 0.002083 0.000546 9C 1f+1 0.000366 0.002835 0.002829 -0.001597 -0.005254 0.003528 9C 1f-1 -0.000462 0.000392 -0.001587 -0.002022 0.000824 -0.001660 9C 1f+2 0.001694 -0.000064 -0.001426 0.000948 0.001545 -0.003614 9C 1f-2 0.001364 -0.003110 -0.002204 0.002780 0.005660 -0.002072 9C 1f+3 0.000825 -0.000953 -0.000478 0.002611 0.002246 -0.002058 9C 1f-3 -0.001309 0.002138 0.003229 -0.001295 -0.005448 0.004456 10H 1s 0.008256 0.004298 0.016548 0.021339 0.010464 -0.010346 10H 2s 0.107398 0.039287 0.177355 0.104203 0.203383 -0.186281 10H 3s 0.711286 0.230082 0.034854 0.000984 0.406024 0.053338 10H 1pz 0.004483 -0.005343 0.001334 0.001413 0.001733 -0.009320 10H 1px 0.001019 -0.000650 -0.012804 -0.003575 -0.010188 0.013613 10H 1py -0.000268 0.009607 0.008041 -0.008241 0.016036 -0.008996 11H 1s -0.003029 -0.019219 -0.022382 0.002181 -0.027932 0.008502 11H 2s -0.033000 -0.220780 -0.221610 0.142477 -0.397435 0.196449 11H 3s -0.245635 -0.373964 -0.402357 0.220781 -0.419662 0.168736 11H 1pz 0.003241 -0.008213 -0.006044 0.010645 -0.017506 0.008182 11H 1px -0.007512 -0.005608 -0.009322 0.002595 -0.019433 0.012594 11H 1py -0.005957 0.006821 0.003689 -0.002081 0.007597 -0.002821 12H 1s -0.009175 0.015414 0.000157 -0.021929 0.010973 -0.003922 12H 2s -0.084163 0.141343 -0.002029 -0.183503 0.122548 0.000730 12H 3s -0.634991 0.515193 0.232212 -0.017625 0.294271 0.056489 12H 1pz -0.004051 -0.001303 -0.000663 0.005825 -0.002322 0.001510 12H 1px -0.006417 -0.005927 -0.010619 -0.001921 -0.012820 0.008058 12H 1py 0.004022 0.006075 0.000426 -0.012016 0.010411 -0.003910 13H 1s 0.007671 -0.023681 0.024047 -0.009460 -0.018379 0.005905 13H 2s 0.122485 -0.195068 0.205215 -0.223866 -0.287449 0.063466 13H 3s 0.772846 -0.190070 -0.090482 -0.059216 -0.021430 0.123198 13H 1pz 0.002363 -0.013754 0.003080 -0.017195 -0.023168 -0.012266 13H 1px 0.000502 0.004222 -0.013973 0.010567 0.011463 -0.009824 13H 1py -0.004057 -0.004645 -0.008051 0.007954 0.006940 -0.012607 14H 1s -0.004958 -0.001056 -0.026874 0.004123 -0.002146 -0.029950 14H 2s -0.061022 -0.022869 -0.246847 0.082456 -0.006308 -0.397013 14H 3s -0.561502 -0.497568 -0.246216 0.224937 0.078736 -0.666865 14H 1pz 0.007840 -0.007208 -0.005931 -0.006507 -0.012643 -0.018018 14H 1px -0.003348 0.009942 -0.011297 0.008798 0.004981 -0.014582 14H 1py 0.006611 -0.001254 -0.005388 -0.004300 -0.003436 -0.002262 15H 1s -0.007691 0.027301 0.008670 0.010534 0.015730 0.027430 15H 2s -0.090361 0.260504 0.074429 0.243845 0.327959 0.379182 15H 3s -0.316119 0.480027 0.345012 0.068859 0.188396 0.391584 15H 1pz 0.001203 -0.009537 0.001244 -0.009780 -0.014209 -0.012806 15H 1px -0.010226 0.004021 -0.007780 0.012400 0.011879 -0.004713 15H 1py 0.000661 -0.008364 -0.003263 -0.015616 -0.018807 -0.023046 16H 1s -0.012673 -0.008039 0.021184 0.030518 -0.000723 0.014069 16H 2s -0.021377 -0.070090 0.143616 0.096950 -0.007748 0.097692 16H 3s -0.134699 -0.001285 0.111778 0.499360 0.072537 0.024583 16H 1pz 0.006292 -0.002936 0.005646 -0.007248 -0.000667 0.004579 16H 1px -0.003139 -0.000375 0.004389 0.006845 0.001126 0.002680 16H 1py 0.002087 -0.000235 0.001280 -0.001254 -0.000149 0.001561 17H 1s 0.009643 0.019954 -0.033956 0.000967 -0.012258 -0.009334 17H 2s 0.093607 0.111403 -0.148453 -0.087230 -0.051576 -0.056359 17H 3s 0.043956 0.204905 -0.351219 0.275581 -0.030558 -0.037120 17H 1pz -0.006344 -0.002906 0.003285 0.008267 0.001387 0.002648 17H 1px -0.003408 0.002048 -0.007388 0.008602 -0.002624 -0.000014 17H 1py 0.003780 0.000462 0.001165 -0.005136 -0.000812 -0.000991 18H 1s -0.011348 0.018588 -0.034028 0.000358 0.011957 0.010045 18H 2s -0.102911 0.099126 -0.147296 -0.088756 0.047425 0.062169 18H 3s -0.066607 0.195321 -0.353311 0.274254 0.036628 0.035133 18H 1pz -0.006627 0.002223 -0.003128 -0.008392 0.001102 0.003076 18H 1px -0.003166 -0.002375 0.007602 -0.008360 -0.002844 0.000123 18H 1py 0.003548 -0.000085 -0.001301 0.004785 -0.000653 -0.001069 19H 1s 0.013755 -0.005821 0.020899 0.030329 0.001819 -0.015011 19H 2s 0.029420 -0.063395 0.141933 0.097156 0.013668 -0.103649 19H 3s 0.136040 0.018482 0.112220 0.501382 -0.059314 -0.033683 19H 1pz 0.005921 0.003603 -0.005568 0.007095 -0.000744 0.004635 19H 1px -0.003293 -0.000145 -0.004297 -0.006853 0.000914 0.002754 19H 1py 0.002123 0.000619 -0.001427 0.001337 -0.000264 0.001763 20H 1s 0.005148 0.027798 0.008314 0.010458 -0.015815 -0.026892 20H 2s 0.062197 0.266016 0.069400 0.244721 -0.323748 -0.372175 20H 3s 0.279399 0.505861 0.342559 0.066390 -0.197016 -0.386714 20H 1pz -0.000001 0.009534 -0.001401 0.009837 -0.013935 -0.012615 20H 1px -0.009801 -0.004851 0.007776 -0.012665 0.011627 -0.004488 20H 1py -0.000549 0.008287 0.002963 0.015593 -0.018314 -0.022586 21H 1s 0.005537 -0.000914 -0.026477 0.004271 0.002549 0.029699 21H 2s 0.067159 -0.019511 -0.242333 0.086236 0.011022 0.390055 21H 3s 0.604899 -0.450428 -0.244298 0.224072 -0.064402 0.653071 21H 1pz 0.006970 0.007750 0.005774 0.006343 -0.012487 -0.017736 21H 1px -0.002728 -0.010167 0.011041 -0.009167 0.004872 -0.014177 21H 1py 0.006349 0.001774 0.005345 0.004229 -0.003362 -0.002387 22H 1s -0.005882 -0.023973 0.023958 -0.009736 0.018067 -0.006196 22H 2s -0.106208 -0.202280 0.204496 -0.228019 0.280600 -0.062856 22H 3s -0.752515 -0.255087 -0.094275 -0.049021 0.021497 -0.122299 22H 1pz 0.001034 0.013758 -0.003106 0.017390 -0.022655 -0.012250 22H 1px 0.000716 -0.004102 0.013918 -0.010977 0.011187 -0.009548 22H 1py -0.004468 0.004261 0.008006 -0.008266 0.006676 -0.012270 23H 1s 0.007107 0.016172 0.000403 -0.021154 -0.011805 0.003944 23H 2s 0.064833 0.147073 -0.001755 -0.173889 -0.128374 -0.007140 23H 3s 0.575934 0.568311 0.234086 -0.017632 -0.301510 -0.060168 23H 1pz -0.004234 0.000860 0.000587 -0.005617 -0.002437 0.001548 23H 1px -0.006772 0.005174 0.010526 0.002106 -0.013002 0.008452 23H 1py 0.004700 -0.005435 -0.000168 0.011117 0.010527 -0.003279 24H 1s 0.004782 -0.018291 -0.022165 0.000873 0.028140 -0.008172 24H 2s 0.049362 -0.211738 -0.219487 0.124424 0.403061 -0.195829 24H 3s 0.302703 -0.337332 -0.396228 0.204434 0.436729 -0.163712 24H 1pz 0.002826 0.008309 0.005901 -0.009775 -0.017618 0.007991 24H 1px -0.007231 0.004891 0.009263 -0.001843 -0.019691 0.012899 24H 1py -0.005625 -0.007253 -0.003590 0.001627 0.007355 -0.002471 25H 1s -0.007844 0.003303 0.016379 0.021637 -0.009932 0.010048 25H 2s -0.101872 0.027186 0.175824 0.110955 -0.202247 0.188545 25H 3s -0.735861 0.159281 0.026343 0.016196 -0.407073 -0.042213 25H 1pz 0.003495 0.005621 -0.001522 -0.001478 0.001827 -0.009834 25H 1px 0.001483 0.000713 0.012854 0.003892 -0.010387 0.013635 25H 1py 0.000631 -0.009427 -0.007845 0.007608 0.016312 -0.008859 26O 1s 0.013824 -0.002602 -0.004239 -0.013298 0.001892 -0.005912 26O 2s 0.033848 -0.006590 -0.011018 -0.033590 0.004759 -0.014446 26O 3s -0.058774 0.014800 0.027050 0.069556 -0.009577 0.026748 26O 4s -0.081001 -0.004455 -0.014803 0.012500 0.009523 0.021301 26O 5s -0.303918 0.122695 0.417879 0.884447 -0.299691 0.024878 26O 1pz -0.033053 0.021905 -0.020146 -0.029614 -0.016629 0.017959 26O 1px 0.004548 -0.003942 0.008686 0.036977 -0.019941 -0.023316 26O 1py -0.029075 -0.048482 0.012623 0.006446 0.002226 0.010821 26O 2pz -0.025376 0.029905 -0.003530 -0.041651 0.016301 -0.004625 26O 2px -0.004597 0.006967 -0.013005 -0.027164 0.001331 -0.008371 26O 2py -0.021855 -0.055012 0.011206 -0.010544 0.002440 0.007622 26O 3pz -0.045669 -0.006419 -0.112260 0.071950 -0.174110 0.227044 26O 3px 0.003442 -0.077321 -0.089401 -0.050608 -0.006618 0.068538 26O 3py -0.059207 -0.012720 -0.035797 -0.037004 0.051078 0.161409 26O 1dz2 -0.000751 0.000232 0.001213 0.000489 0.001196 -0.000423 26O 1dxz 0.002079 -0.001076 -0.000022 -0.000476 -0.000143 0.001157 26O 1dyz 0.001780 0.000397 -0.000962 -0.000768 -0.000119 -0.000440 26O 1dx2y2 -0.000057 -0.002162 0.000112 -0.001342 0.000301 0.000471 26O 1dxy 0.001906 0.001101 0.000267 -0.001954 0.001155 0.000521 26O 2dz2 -0.006490 0.005512 -0.008095 -0.010766 0.004778 0.005429 26O 2dxz 0.002857 -0.002474 0.000148 -0.001912 -0.000641 -0.001751 26O 2dyz 0.000669 -0.000438 -0.000029 -0.000735 -0.003129 0.004853 26O 2dx2y2 0.003264 -0.002880 0.011198 0.013559 -0.001157 -0.008937 26O 2dxy 0.004561 0.003486 0.006304 0.007510 0.002760 -0.007160 26O 1f0 0.000047 0.000238 -0.000427 0.000090 -0.000347 0.000084 26O 1f+1 0.000160 -0.000374 0.000307 0.000978 -0.000630 0.000138 26O 1f-1 -0.000530 -0.000120 -0.000119 0.000353 -0.000560 0.000570 26O 1f+2 0.000296 0.000271 0.000003 -0.000483 0.000294 -0.000455 26O 1f-2 -0.000448 -0.000169 0.000256 0.000520 0.000162 0.000247 26O 1f+3 -0.000042 -0.000500 0.000402 0.000630 -0.000403 -0.000053 26O 1f-3 0.000311 0.000387 0.000456 0.000315 0.000258 -0.000101 27O 1s 0.014305 0.010369 -0.012394 -0.001621 -0.004830 -0.001776 27O 2s 0.035023 0.026472 -0.031320 -0.003825 -0.011553 -0.004275 27O 3s -0.060236 -0.057910 0.063593 0.004987 0.018115 0.003601 27O 4s -0.085150 0.012978 0.004470 0.014529 0.037825 0.031641 27O 5s -0.388946 -0.991665 1.228443 -0.115216 -0.153691 0.237464 27O 1pz -0.002960 0.027148 -0.023571 -0.024565 0.029201 -0.019248 27O 1px -0.006644 0.004707 0.013368 0.011126 -0.008099 0.016681 27O 1py 0.042739 0.003136 0.026719 -0.026123 -0.016897 0.015710 27O 2pz 0.004537 0.020654 -0.008782 -0.040371 0.009829 0.003631 27O 2px -0.006157 0.048708 -0.053184 0.006477 0.004567 -0.012529 27O 2py 0.031488 0.008067 0.038546 0.003600 0.017383 0.047065 27O 3pz -0.011936 -0.006835 0.008067 0.035810 0.161039 -0.083198 27O 3px 0.024044 0.325290 -0.354721 0.152699 0.220424 -0.122895 27O 3py 0.062662 -0.121784 0.019318 -0.222056 -0.337344 -0.103131 27O 1dz2 -0.001807 -0.000940 0.002496 0.001219 -0.000384 0.001511 27O 1dxz 0.001244 -0.001893 0.000318 0.000633 0.000053 0.000258 27O 1dyz -0.000476 0.000205 0.000514 -0.000217 0.000998 -0.000202 27O 1dx2y2 0.000885 0.001650 -0.001780 0.000732 0.000540 -0.000479 27O 1dxy -0.002685 -0.001869 0.000426 0.000653 -0.001045 -0.001511 27O 2dz2 -0.002321 0.015552 -0.017499 0.006456 0.011470 -0.000086 27O 2dxz 0.000746 0.003188 -0.006632 0.006159 0.003405 -0.006066 27O 2dyz 0.001193 0.000570 -0.002272 0.000511 -0.004270 0.001145 27O 2dx2y2 0.005048 -0.021486 0.028240 -0.011928 -0.014219 0.018423 27O 2dxy -0.003427 0.004964 -0.008657 0.006417 0.002972 -0.006384 27O 1f0 0.000400 0.000035 -0.000689 0.000098 -0.000337 -0.000315 27O 1f+1 0.000286 -0.001246 0.000967 -0.000463 -0.000463 -0.000119 27O 1f-1 0.000131 -0.000014 0.000032 0.000312 -0.000036 0.000105 27O 1f+2 0.000536 -0.000272 0.000450 -0.000719 -0.000596 0.000716 27O 1f-2 0.000389 -0.000046 -0.000362 -0.000394 -0.000532 -0.000107 27O 1f+3 -0.000373 -0.001094 0.001803 -0.000050 0.000172 0.000821 27O 1f-3 -0.000041 0.000224 -0.000576 -0.000069 -0.000036 -0.000588 28O 1s -0.004315 -0.004826 0.010515 0.010138 -0.000363 -0.010808 28O 2s -0.010566 -0.012262 0.026089 0.026034 -0.001181 -0.025755 28O 3s 0.019385 0.027165 -0.046125 -0.058549 0.009235 0.032666 28O 4s 0.025461 -0.005660 -0.043060 0.029685 -0.043158 0.136135 28O 5s -0.019296 0.318041 -0.806418 -1.339434 0.031856 0.011490 28O 1pz 0.037884 -0.015732 0.025512 0.027546 -0.019695 0.005495 28O 1px 0.012814 0.006813 0.037240 0.002492 0.016137 0.001223 28O 1py 0.001103 0.007359 -0.009927 0.021301 0.034861 0.015761 28O 2pz 0.056557 -0.018984 0.067403 0.054151 0.020590 -0.013189 28O 2px -0.001138 0.007107 -0.006910 -0.044507 0.000089 0.002376 28O 2py 0.004210 0.016463 0.000910 0.018244 0.049398 0.004110 28O 3pz -0.028828 -0.100897 0.061458 0.322239 -0.169788 0.127483 28O 3px -0.088230 0.088414 -0.200429 -0.302031 -0.070706 0.088019 28O 3py -0.072218 -0.013299 -0.082960 0.064630 -0.012823 0.108639 28O 1dz2 -0.002335 0.000064 -0.001649 0.000800 -0.000694 0.000658 28O 1dxz 0.001363 0.001809 -0.001979 -0.001746 0.000745 0.001025 28O 1dyz -0.001054 0.000661 0.002038 -0.000103 -0.000016 -0.000554 28O 1dx2y2 0.000777 0.000130 0.001333 0.000906 0.001859 -0.001427 28O 1dxy 0.001795 -0.000751 -0.000752 0.000256 0.000021 -0.000325 28O 2dz2 -0.002216 -0.000003 -0.002444 -0.003446 0.003611 -0.002561 28O 2dxz 0.012863 -0.002426 0.018081 0.028047 0.009718 -0.003167 28O 2dyz -0.002554 0.003501 -0.001577 -0.006164 0.003709 -0.002182 28O 2dx2y2 -0.005742 -0.000524 -0.010179 -0.021025 -0.003300 0.001814 28O 2dxy 0.002474 0.002520 -0.004893 -0.000135 0.001062 0.000279 28O 1f0 -0.000262 -0.000312 -0.000428 -0.000800 -0.000688 0.000493 28O 1f+1 -0.000486 0.000232 -0.000568 -0.000557 0.000028 -0.000004 28O 1f-1 0.000240 -0.000389 -0.000510 -0.000100 -0.000140 0.000476 28O 1f+2 0.000687 0.000024 0.001411 0.001590 0.000452 -0.000508 28O 1f-2 -0.000100 0.000346 0.000228 -0.000446 0.000474 -0.000125 28O 1f+3 0.000606 -0.000195 0.000231 0.001102 -0.000172 -0.000152 28O 1f-3 -0.000072 0.000138 0.000202 -0.000094 0.000320 -0.000024 29O 1s 0.009720 0.001665 -0.000736 0.001871 -0.001670 0.002935 29O 2s 0.023708 0.004142 -0.001943 0.005019 -0.004045 0.007188 29O 3s -0.037479 -0.008195 0.006159 -0.016488 0.006678 -0.012135 29O 4s -0.073217 -0.003490 -0.006331 0.020558 0.006818 -0.017264 29O 5s -0.213461 -0.074726 0.043658 -0.146755 0.055775 -0.077783 29O 1pz -0.044531 -0.013612 0.023488 0.041242 0.001006 -0.005838 29O 1px 0.086603 -0.026762 0.041267 -0.066353 0.021472 0.011615 29O 1py 0.010418 -0.007287 -0.000135 0.007242 0.030339 -0.009299 29O 2pz -0.038912 -0.019839 0.034423 0.043490 -0.001680 0.001852 29O 2px 0.062931 -0.030595 0.044025 -0.060843 0.031083 0.006270 29O 2py 0.016566 -0.012912 0.005532 -0.004280 0.036130 -0.012239 29O 3pz -0.136117 -0.092032 0.146686 0.144493 0.031613 0.045347 29O 3px 0.199589 -0.060183 0.091066 -0.048949 -0.017044 0.076328 29O 3py 0.045462 0.048931 -0.034767 0.036933 -0.012775 0.015389 29O 1dz2 -0.001696 -0.000848 0.001790 0.001841 0.000188 0.001131 29O 1dxz -0.000439 0.001240 -0.002381 -0.000721 -0.000670 -0.001631 29O 1dyz -0.000934 -0.001522 0.002560 0.001575 0.000102 0.001544 29O 1dx2y2 0.002381 0.000047 -0.000399 -0.000752 0.000158 -0.000113 29O 1dxy -0.000791 -0.000985 0.001282 0.000836 0.001191 0.000363 29O 2dz2 -0.007132 0.000621 0.001230 0.007475 -0.000032 0.000551 29O 2dxz -0.004319 0.001945 -0.007140 0.001466 -0.003254 -0.002165 29O 2dyz 0.000519 0.002443 -0.001689 -0.000669 -0.001471 -0.000867 29O 2dx2y2 0.006187 0.001558 -0.001996 0.000586 0.001159 0.000239 29O 2dxy 0.001634 -0.002637 0.004221 -0.009060 0.003960 -0.002029 29O 1f0 0.000246 -0.000133 0.000488 0.000011 -0.000087 0.000259 29O 1f+1 0.000086 -0.000274 0.000148 -0.000054 0.000130 -0.000025 29O 1f-1 0.001117 -0.000321 0.000556 -0.000819 0.000167 0.000229 29O 1f+2 -0.000398 -0.000137 0.000202 0.000215 0.000111 -0.000003 29O 1f-2 0.001081 0.000227 0.000031 -0.001004 0.000224 -0.000107 29O 1f+3 -0.000576 0.000121 -0.000262 0.000450 -0.000407 0.000016 29O 1f-3 0.000417 -0.000323 0.000305 -0.000045 0.000063 0.000167 30O 1s -0.005733 -0.007590 0.011838 -0.004324 -0.012005 0.000551 30O 2s -0.014109 -0.018904 0.029769 -0.010075 -0.028801 0.001357 30O 3s 0.026032 0.033508 -0.058786 0.006925 0.038553 -0.000649 30O 4s 0.024111 0.034842 -0.029443 0.074337 0.134586 -0.012141 30O 5s 0.155819 0.634670 -0.865717 0.110526 0.237989 -0.165223 30O 1pz 0.020017 0.006163 0.016325 0.039839 0.015156 -0.018652 30O 1px 0.008685 -0.042335 0.041109 -0.031787 0.000348 0.003332 30O 1py -0.018306 0.017347 -0.001544 0.013697 -0.002003 -0.042228 30O 2pz 0.024937 -0.024832 0.037379 0.018587 -0.002542 -0.023928 30O 2px 0.001175 -0.000910 -0.011270 0.000836 0.010459 -0.019345 30O 2py -0.035246 0.044982 -0.031266 0.053534 0.027767 -0.037508 30O 3pz -0.011672 -0.057434 0.105163 0.081770 0.023927 0.070595 30O 3px -0.062154 0.085601 -0.096648 0.075792 0.170663 -0.054550 30O 3py 0.103819 0.062475 -0.070605 -0.153176 -0.105605 -0.229768 30O 1dz2 -0.001141 -0.000598 -0.002015 -0.000120 0.000420 -0.000404 30O 1dxz 0.000427 0.001948 -0.000599 0.000549 0.001011 0.000565 30O 1dyz 0.002339 0.001420 -0.000911 0.001847 0.000987 0.000120 30O 1dx2y2 0.002016 -0.000344 -0.000460 -0.001625 -0.001682 0.000875 30O 1dxy -0.001963 0.000045 0.001856 0.000028 -0.000214 0.001508 30O 2dz2 -0.000334 -0.007024 0.004291 -0.002702 0.000333 0.003552 30O 2dxz 0.004038 -0.011838 0.015729 -0.001019 -0.005549 0.011237 30O 2dyz 0.004978 -0.007108 0.008722 -0.004203 -0.003939 0.004921 30O 2dx2y2 -0.002255 0.007391 -0.010251 0.005880 0.009030 -0.001972 30O 2dxy -0.007255 0.013418 -0.011534 0.009082 0.009296 -0.009512 30O 1f0 -0.000412 -0.000058 -0.000463 -0.000232 0.000103 -0.001004 30O 1f+1 0.000005 -0.000196 -0.000226 -0.000125 0.000010 -0.000340 30O 1f-1 -0.000223 -0.000388 -0.000055 -0.000646 -0.000256 -0.000099 30O 1f+2 -0.000004 -0.000707 0.000963 -0.000515 -0.000778 0.000345 30O 1f-2 0.000360 -0.000806 0.000509 -0.000287 -0.000566 0.000208 30O 1f+3 0.000149 0.000192 -0.000102 0.000247 -0.000032 -0.000024 30O 1f-3 0.000412 -0.001081 0.000797 -0.000764 -0.000945 -0.000077 31O 1s 0.006026 -0.006885 0.011887 -0.004709 0.011854 -0.000518 31O 2s 0.014829 -0.017170 0.029877 -0.011000 0.028446 -0.001290 31O 3s -0.027071 0.030424 -0.058866 0.008202 -0.038273 0.000771 31O 4s -0.026894 0.031601 -0.030534 0.078257 -0.132319 0.010711 31O 5s -0.180268 0.606532 -0.856950 0.116684 -0.232797 0.171666 31O 1pz 0.020803 -0.003381 -0.015952 -0.040856 0.013867 -0.017700 31O 1px 0.005298 0.042650 -0.040623 0.031356 0.001242 0.003910 31O 1py -0.018147 -0.018090 0.001087 -0.013801 -0.002177 -0.041902 31O 2pz 0.023422 0.027734 -0.037217 -0.019326 -0.003426 -0.022870 31O 2px 0.000515 0.001246 0.011023 -0.001440 0.010394 -0.018484 31O 2py -0.032978 -0.046557 0.030751 -0.053628 0.026026 -0.037609 31O 3pz -0.012009 0.054873 -0.100018 -0.082682 0.021800 0.071415 31O 3px -0.062019 -0.087041 0.095395 -0.079852 0.167138 -0.052895 31O 3py 0.101225 -0.051011 0.065573 0.151532 -0.099177 -0.226875 31O 1dz2 0.001177 -0.000489 -0.002007 -0.000132 -0.000389 0.000408 31O 1dxz -0.000564 0.001874 -0.000582 0.000567 -0.001008 -0.000576 31O 1dyz -0.002414 0.001177 -0.000918 0.001903 -0.000929 -0.000144 31O 1dx2y2 -0.002034 -0.000483 -0.000465 -0.001664 0.001643 -0.000824 31O 1dxy 0.001881 0.000241 0.001836 -0.000004 0.000200 -0.001488 31O 2dz2 0.000653 -0.006905 0.004214 -0.002765 -0.000395 -0.003464 31O 2dxz -0.003304 -0.011939 0.015458 -0.001237 0.005536 -0.011260 31O 2dyz -0.004823 -0.007354 0.008522 -0.004255 0.003777 -0.004939 31O 2dx2y2 0.001789 0.007406 -0.010153 0.006090 -0.008825 0.001953 31O 2dxy 0.006404 0.013704 -0.011217 0.009194 -0.009002 0.009335 31O 1f0 -0.000439 0.000035 0.000444 0.000224 0.000106 -0.000987 31O 1f+1 -0.000011 0.000196 0.000216 0.000117 0.000010 -0.000339 31O 1f-1 -0.000256 0.000364 0.000047 0.000655 -0.000240 -0.000107 31O 1f+2 -0.000060 0.000687 -0.000962 0.000544 -0.000751 0.000349 31O 1f-2 0.000329 0.000815 -0.000495 0.000302 -0.000556 0.000208 31O 1f+3 0.000157 -0.000174 0.000106 -0.000247 -0.000040 -0.000030 31O 1f-3 0.000323 0.001094 -0.000793 0.000780 -0.000915 -0.000080 32O 1s -0.009711 0.000923 -0.000864 0.001810 0.001705 -0.002903 32O 2s -0.023704 0.002335 -0.002259 0.004870 0.004149 -0.007122 32O 3s 0.037768 -0.005448 0.006770 -0.016175 -0.007123 0.012248 32O 4s 0.071750 0.002583 -0.005819 0.020568 -0.005676 0.016022 32O 5s 0.218177 -0.058753 0.046891 -0.145047 -0.061355 0.080414 32O 1pz -0.045957 0.008030 -0.024060 -0.040609 -0.000619 -0.004740 32O 1px 0.084186 0.034399 -0.041268 0.064860 0.022728 0.011105 32O 1py 0.010587 0.009615 -0.001118 -0.009374 0.030762 -0.008442 32O 2pz -0.041307 0.014207 -0.034675 -0.043060 -0.003784 0.003393 32O 2px 0.060542 0.036247 -0.044147 0.058901 0.032127 0.006084 32O 2py 0.016265 0.016250 -0.007274 0.001539 0.036847 -0.011273 32O 3pz -0.145134 0.077247 -0.147270 -0.144842 0.025763 0.051731 32O 3px 0.192002 0.074534 -0.088088 0.050234 -0.016638 0.076539 32O 3py 0.047387 -0.042551 0.031529 -0.039414 -0.013484 0.017543 32O 1dz2 0.001735 -0.000577 0.001658 0.001775 -0.000091 -0.001146 32O 1dxz 0.000272 0.001256 -0.002418 -0.000789 0.000639 0.001733 32O 1dyz 0.001105 -0.001382 0.002576 0.001627 -0.000017 -0.001672 32O 1dx2y2 -0.002425 -0.000144 -0.000467 -0.000772 -0.000176 0.000178 32O 1dxy 0.000823 -0.000870 0.001200 0.000846 -0.001156 -0.000387 32O 2dz2 0.007177 0.001323 0.001246 0.007417 0.000117 -0.000705 32O 2dxz 0.004042 0.002296 -0.007284 0.001383 0.003354 0.002110 32O 2dyz -0.000515 0.002563 -0.001698 -0.000463 0.001292 0.001069 32O 2dx2y2 -0.006336 0.000849 -0.001961 0.000864 -0.001065 -0.000380 32O 2dxy -0.001544 -0.002927 0.004233 -0.008675 -0.004176 0.002124 32O 1f0 0.000161 0.000130 -0.000463 -0.000063 -0.000111 0.000258 32O 1f+1 0.000015 0.000274 -0.000135 0.000006 0.000125 -0.000019 32O 1f-1 0.001092 0.000450 -0.000596 0.000788 0.000175 0.000247 32O 1f+2 -0.000452 0.000084 -0.000190 -0.000252 0.000104 -0.000002 32O 1f-2 0.001097 -0.000097 -0.000061 0.000981 0.000274 -0.000139 32O 1f+3 -0.000555 -0.000193 0.000272 -0.000398 -0.000419 0.000015 32O 1f-3 0.000392 0.000346 -0.000284 0.000040 0.000044 0.000180 33O 1s 0.005057 -0.004603 0.010442 0.010210 0.000644 0.010314 33O 2s 0.012436 -0.011710 0.025904 0.026193 0.001903 0.024491 33O 3s -0.023187 0.026031 -0.045708 -0.058538 -0.010870 -0.029773 33O 4s -0.026372 -0.006526 -0.043197 0.027315 0.044086 -0.137505 33O 5s -0.035387 0.320959 -0.800924 -1.329981 -0.068517 0.035823 33O 1pz 0.037272 0.018954 -0.025548 -0.027098 -0.020607 0.007323 33O 1px 0.011723 -0.005821 -0.037399 -0.002332 0.016331 0.000428 33O 1py 0.001419 -0.007132 0.010147 -0.021616 0.034262 0.015812 33O 2pz 0.053443 0.024617 -0.067128 -0.055056 0.018556 -0.010749 33O 2px -0.000162 -0.007215 0.006759 0.044568 0.000964 0.001008 33O 2py 0.005349 -0.015655 -0.000899 -0.019389 0.049129 0.004130 33O 3pz -0.035076 0.091945 -0.062068 -0.308020 -0.176782 0.137709 33O 3px -0.075255 -0.097134 0.199431 0.302288 -0.061953 0.076532 33O 3py -0.072340 0.005040 0.083104 -0.060832 -0.015495 0.111168 33O 1dz2 0.002375 0.000279 -0.001662 0.000744 0.000736 -0.000641 33O 1dxz -0.001550 0.001682 -0.001998 -0.001681 -0.000800 -0.000934 33O 1dyz 0.001009 0.000732 0.002042 -0.000089 -0.000014 0.000561 33O 1dx2y2 -0.000732 0.000027 0.001331 0.000955 -0.001837 0.001390 33O 1dxy -0.001677 -0.000904 -0.000764 0.000262 -0.000005 0.000363 33O 2dz2 0.002400 0.000189 -0.002433 -0.003255 -0.003654 0.002695 33O 2dxz -0.011856 -0.003526 0.017957 0.027995 -0.009047 0.002618 33O 2dyz 0.002236 0.003694 -0.001555 -0.006202 -0.003958 0.002495 33O 2dx2y2 0.005261 -0.000060 -0.010210 -0.020901 0.002925 -0.001528 33O 2dxy -0.002586 0.002338 -0.004814 -0.000080 -0.001131 -0.000121 33O 1f0 -0.000244 0.000272 0.000423 0.000823 -0.000665 0.000489 33O 1f+1 -0.000462 -0.000276 0.000557 0.000546 0.000050 -0.000045 33O 1f-1 0.000239 0.000390 0.000505 0.000116 -0.000135 0.000495 33O 1f+2 0.000648 0.000050 -0.001405 -0.001601 0.000417 -0.000469 33O 1f-2 -0.000085 -0.000353 -0.000223 0.000438 0.000497 -0.000143 33O 1f+3 0.000554 0.000247 -0.000231 -0.001089 -0.000199 -0.000140 33O 1f-3 -0.000051 -0.000134 -0.000192 0.000084 0.000322 -0.000014 34O 1s -0.014968 0.009025 -0.012255 -0.001641 0.004836 0.002078 34O 2s -0.036733 0.023171 -0.030983 -0.003862 0.011576 0.005046 34O 3s 0.064186 -0.052163 0.063105 0.004968 -0.018298 -0.005408 34O 4s 0.083051 0.020362 0.003191 0.015161 -0.037319 -0.030604 34O 5s 0.462003 -0.942450 1.221112 -0.128887 0.150018 -0.256294 34O 1pz 0.000435 -0.026561 0.023923 0.023524 0.030180 -0.019866 34O 1px -0.004516 -0.005311 -0.013122 -0.010762 -0.008432 0.016191 34O 1py 0.043385 0.000649 -0.026055 0.025897 -0.015692 0.014667 34O 2pz 0.007570 -0.020062 0.009317 0.040097 0.011417 0.002475 34O 2px -0.001586 -0.048659 0.052815 -0.006909 0.004621 -0.013357 34O 2py 0.033347 -0.005099 -0.037418 -0.004162 0.017880 0.046054 34O 3pz -0.010358 0.009846 -0.007454 -0.042173 0.159695 -0.080428 34O 3px 0.054345 -0.315539 0.352139 -0.161189 0.217717 -0.125596 34O 3py 0.047527 0.123271 -0.020852 0.228168 -0.332025 -0.104087 34O 1dz2 0.001882 -0.000739 0.002492 0.001173 0.000416 -0.001565 34O 1dxz -0.001022 -0.001988 0.000317 0.000655 -0.000012 -0.000284 34O 1dyz 0.000395 0.000222 0.000500 -0.000194 -0.001001 0.000225 34O 1dx2y2 -0.000991 0.001553 -0.001753 0.000738 -0.000523 0.000511 34O 1dxy 0.002836 -0.001601 0.000446 0.000617 0.001075 0.001467 34O 2dz2 0.000948 0.015504 -0.017396 0.006731 -0.011414 0.000182 34O 2dxz -0.000814 0.003096 -0.006554 0.006288 -0.003197 0.005922 34O 2dyz -0.001387 0.000449 -0.002288 0.000433 0.004317 -0.001158 34O 2dx2y2 -0.003473 -0.021495 0.027942 -0.012494 0.014066 -0.018322 34O 2dxy 0.003055 0.005085 -0.008573 0.006549 -0.002823 0.006250 34O 1f0 0.000387 -0.000004 0.000681 -0.000090 -0.000343 -0.000303 34O 1f+1 0.000173 0.001254 -0.000956 0.000467 -0.000460 -0.000103 34O 1f-1 0.000126 0.000026 -0.000033 -0.000315 -0.000046 0.000110 34O 1f+2 0.000526 0.000318 -0.000446 0.000731 -0.000575 0.000705 34O 1f-2 0.000350 0.000072 0.000353 0.000410 -0.000520 -0.000107 34O 1f+3 -0.000437 0.001043 -0.001782 0.000060 0.000158 0.000837 34O 1f-3 -0.000013 -0.000211 0.000567 0.000059 -0.000034 -0.000589 35O 1s -0.013978 -0.004065 -0.004341 -0.012845 -0.002174 0.006029 35O 2s -0.034242 -0.010173 -0.011264 -0.032487 -0.005493 0.014764 35O 3s 0.059508 0.021019 0.027376 0.067781 0.011421 -0.027736 35O 4s 0.081299 0.004247 -0.013554 0.009401 -0.010962 -0.019487 35O 5s 0.334092 0.154209 0.419295 0.866142 0.321840 -0.040621 35O 1pz -0.029326 -0.025355 0.019881 0.030191 -0.015970 0.017777 35O 1px 0.003913 0.004245 -0.008743 -0.036693 -0.020530 -0.021554 35O 1py -0.032350 0.045881 -0.012507 -0.006285 0.001221 0.011694 35O 2pz -0.021412 -0.032350 0.003545 0.040940 0.017543 -0.005120 35O 2px -0.002185 -0.007260 0.013223 0.026478 0.002084 -0.007674 35O 2py -0.025528 0.053155 -0.010951 0.010560 0.001465 0.007527 35O 3pz -0.041714 -0.001400 0.109916 -0.064691 -0.175998 0.228065 35O 3px 0.010273 0.076856 0.088590 0.048578 -0.007439 0.071992 35O 3py -0.050866 0.006367 0.036466 0.036519 0.052094 0.166227 35O 1dz2 0.000763 0.000279 0.001213 0.000506 -0.001202 0.000425 35O 1dxz -0.001977 -0.001239 -0.000022 -0.000471 0.000120 -0.001126 35O 1dyz -0.001781 0.000229 -0.000962 -0.000750 0.000109 0.000488 35O 1dx2y2 0.000153 -0.002151 0.000111 -0.001301 -0.000307 -0.000496 35O 1dxy -0.002077 0.000917 0.000236 -0.001902 -0.001210 -0.000511 35O 2dz2 0.005445 0.006055 -0.008138 -0.010506 -0.004991 -0.005306 35O 2dxz -0.002647 -0.002824 0.000128 -0.001894 0.000648 0.001707 35O 2dyz -0.000356 -0.000452 -0.000031 -0.000875 0.003073 -0.004674 35O 2dx2y2 -0.002172 -0.003046 0.011208 0.013344 0.001322 0.008773 35O 2dxy -0.004043 0.003033 0.006332 0.007537 -0.002750 0.007181 35O 1f0 0.000056 -0.000232 0.000431 -0.000076 -0.000354 0.000073 35O 1f+1 0.000095 0.000375 -0.000314 -0.000942 -0.000647 0.000156 35O 1f-1 -0.000559 0.000062 0.000110 -0.000324 -0.000562 0.000587 35O 1f+2 0.000315 -0.000244 -0.000005 0.000468 0.000314 -0.000478 35O 1f-2 -0.000449 0.000122 -0.000256 -0.000518 0.000152 0.000283 35O 1f+3 -0.000107 0.000480 -0.000405 -0.000596 -0.000414 -0.000048 35O 1f-3 0.000293 -0.000354 -0.000455 -0.000318 0.000258 -0.000102 156 157 158 159 160 161 0.22740 0.23087 0.23566 0.24461 0.25457 0.25490 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s 0.000248 -0.002006 0.000061 -0.007818 -0.001688 -0.004299 0Rh 2s -0.000937 0.007015 -0.000382 0.027158 0.006870 0.017049 0Rh 3s 0.000860 -0.007320 0.000118 -0.028651 -0.005565 -0.014443 0Rh 4s 0.004117 -0.030553 0.001769 -0.118236 -0.030498 -0.075410 0Rh 5s -0.003258 0.019574 -0.002898 0.073672 0.028836 0.066908 0Rh 6s -0.007516 0.073887 0.002864 0.296049 0.038041 0.112354 0Rh 7s 0.041318 -0.023351 -0.127022 -1.612865 0.423956 -0.607575 0Rh 8s -0.162168 -0.417538 0.269647 2.094613 -0.806474 2.011372 0Rh 1pz 0.000199 -0.003414 -0.001888 -0.006219 0.001041 0.003500 0Rh 1px -0.000220 0.001016 0.005207 0.021511 -0.002047 0.012472 0Rh 1py 0.000559 -0.000278 -0.004465 0.004156 -0.005036 0.001258 0Rh 2pz -0.000688 0.011663 0.006489 0.021584 -0.003571 -0.011990 0Rh 2px 0.000729 -0.003505 -0.017943 -0.074502 0.007243 -0.042971 0Rh 2py -0.001864 0.000926 0.015318 -0.014395 0.017340 -0.004321 0Rh 3pz 0.000693 -0.009323 -0.005910 -0.023400 0.003038 0.010013 0Rh 3px -0.000118 0.003387 0.017144 0.077964 -0.010446 0.040686 0Rh 3py 0.000488 -0.000257 -0.013441 0.015094 -0.016213 0.003874 0Rh 4pz 0.000476 -0.018516 -0.007619 -0.012515 0.005547 0.017854 0Rh 4px -0.003262 0.004012 0.018788 0.052962 0.005741 0.046153 0Rh 4py 0.007280 -0.003523 -0.019211 0.010187 -0.018731 0.005210 0Rh 5pz 0.000523 -0.000805 -0.003818 -0.030629 -0.002475 0.005531 0Rh 5px 0.005549 -0.002526 0.012332 0.094193 -0.029686 0.032582 0Rh 5py -0.007200 0.004458 -0.018423 0.017945 -0.021009 0.002961 0Rh 6pz 0.022444 0.152423 0.138827 0.244118 -0.069389 -0.354334 0Rh 6px -0.008182 0.037588 -0.182364 -0.867073 -0.026263 -0.891771 0Rh 6py -0.143523 -0.121885 0.482255 -0.143201 0.358426 -0.096493 0Rh 1dz2 0.000238 -0.000208 0.000846 0.006870 -0.004425 0.002844 0Rh 1dxz 0.000203 0.010523 0.001948 0.004622 0.001968 0.000437 0Rh 1dyz -0.005493 0.003178 -0.003427 0.000489 -0.009516 -0.002131 0Rh 1dx2y2 -0.000259 -0.001297 0.000939 -0.013488 -0.010705 -0.003152 0Rh 1dxy -0.002334 0.000473 0.014664 -0.004160 0.004567 -0.001235 0Rh 2dz2 -0.000662 0.000146 0.000085 -0.000411 0.000423 0.000008 0Rh 2dxz -0.000298 -0.000454 0.000166 -0.000137 -0.000206 -0.000238 0Rh 2dyz -0.000450 0.000220 0.000642 0.000001 0.000537 -0.000155 0Rh 2dx2y2 -0.000506 0.000167 -0.000192 0.000794 0.000618 0.000316 0Rh 2dxy -0.000222 -0.000067 -0.000335 0.000132 -0.000110 0.000454 0Rh 3dz2 0.002232 -0.000227 -0.001856 -0.010547 0.006114 -0.005052 0Rh 3dxz 0.000811 -0.016835 -0.004124 -0.007597 -0.002687 0.000260 0Rh 3dyz 0.011562 -0.006505 0.003501 -0.000908 0.014597 0.004400 0Rh 3dx2y2 0.002523 0.001594 -0.000888 0.020582 0.016532 0.004148 0Rh 3dxy 0.005055 -0.000592 -0.024727 0.006762 -0.007809 0.000290 0Rh 4dz2 -0.008474 0.002185 0.000049 -0.014707 0.011944 -0.004834 0Rh 4dxz -0.003655 -0.019932 -0.000772 -0.008350 -0.005024 -0.004613 0Rh 4dyz 0.001760 -0.001705 0.012804 -0.000465 0.022146 0.000756 0Rh 4dx2y2 -0.005815 0.003607 -0.003730 0.029059 0.023081 0.010002 0Rh 4dxy 0.000135 -0.001171 -0.024268 0.007689 -0.006577 0.007572 0Rh 5dz2 0.031102 -0.013766 -0.017805 0.009293 -0.013930 0.009193 0Rh 5dxz 0.009658 -0.016502 -0.011760 0.003015 -0.005156 0.025594 0Rh 5dyz 0.043357 -0.035313 -0.041516 0.002156 -0.021127 0.023247 0Rh 5dx2y2 0.026505 -0.000265 0.004492 -0.011420 0.004529 -0.031849 0Rh 5dxy 0.023648 -0.005402 -0.045549 0.001228 -0.019687 -0.020088 0Rh 1f0 -0.000676 0.000605 -0.001534 0.002914 0.000450 0.001811 0Rh 1f+1 0.000499 0.000120 0.000273 -0.002537 0.001305 0.002688 0Rh 1f-1 -0.000687 -0.001841 -0.003911 0.000212 0.000477 0.000997 0Rh 1f+2 -0.001272 -0.000592 -0.001848 -0.004359 -0.001492 -0.003745 0Rh 1f-2 0.000187 0.002053 0.001730 -0.002469 -0.005349 -0.001634 0Rh 1f+3 0.000266 -0.001803 -0.000190 -0.004424 0.000988 0.001882 0Rh 1f-3 0.000020 -0.001852 -0.001956 -0.002604 0.001110 -0.002759 1Rh 1s -0.000312 -0.001943 0.000039 -0.007814 0.001769 0.004351 1Rh 2s 0.001159 0.006770 -0.000300 0.027139 -0.006884 -0.017347 1Rh 3s -0.001097 -0.007105 0.000043 -0.028640 0.006026 0.014559 1Rh 4s -0.005084 -0.029471 0.001407 -0.118151 0.030362 0.076794 1Rh 5s 0.003848 0.018658 -0.002602 0.073569 -0.025598 -0.069160 1Rh 6s 0.009971 0.072136 0.003495 0.296037 -0.050799 -0.110059 1Rh 7s -0.042073 -0.016689 -0.128322 -1.612762 0.719312 0.142818 1Rh 8s 0.147045 -0.446207 0.271938 2.089524 -1.934041 -0.880433 1Rh 1pz 0.000408 0.003386 0.001842 0.006235 0.001681 0.003213 1Rh 1px -0.000397 -0.000902 -0.005280 -0.021493 0.010110 0.007509 1Rh 1py 0.000718 0.000134 0.004508 -0.004142 0.004651 -0.002572 1Rh 2pz -0.001401 -0.011565 -0.006331 -0.021639 -0.005754 -0.011012 1Rh 2px 0.001338 0.003114 0.018196 0.074441 -0.034969 -0.025736 1Rh 2py -0.002405 -0.000436 -0.015468 0.014348 -0.016004 0.008864 1Rh 3pz 0.001252 0.009201 0.005763 0.023457 0.004749 0.009262 1Rh 3px -0.000661 -0.003073 -0.017362 -0.077906 0.035713 0.021860 1Rh 3py 0.000898 -0.000130 0.013583 -0.015039 0.014857 -0.008427 1Rh 4pz 0.001656 0.018543 0.007435 0.012553 0.008472 0.016449 1Rh 4px -0.004065 -0.003350 -0.019133 -0.052903 0.027715 0.037126 1Rh 4py 0.008220 0.002691 0.019361 -0.010178 0.017639 -0.009124 1Rh 5pz 0.000397 0.000560 0.003668 0.030709 0.005388 0.002515 1Rh 5px 0.005637 0.002188 -0.012410 -0.094113 0.044373 0.002282 1Rh 5py -0.007190 -0.004435 0.018535 -0.017798 0.017869 -0.012431 1Rh 6pz 0.014946 -0.156502 -0.132152 -0.244823 -0.192982 -0.305291 1Rh 6px -0.006782 -0.042791 0.187456 0.864688 -0.604470 -0.652410 1Rh 6py -0.146515 0.136938 -0.480158 0.140114 -0.342243 0.173014 1Rh 1dz2 -0.000146 -0.000189 0.000916 0.006884 -0.005400 0.000845 1Rh 1dxz 0.000380 0.010528 0.001968 0.004568 0.001052 -0.001961 1Rh 1dyz 0.005422 0.002681 -0.003652 0.000538 -0.005332 0.008000 1Rh 1dx2y2 0.000349 -0.001334 0.000890 -0.013453 -0.005339 0.009607 1Rh 1dxy 0.002881 0.000318 0.014658 -0.004189 0.004284 -0.001990 1Rh 2dz2 0.000678 0.000074 0.000054 -0.000407 0.000290 -0.000280 1Rh 2dxz 0.000277 -0.000489 0.000150 -0.000131 0.000018 0.000335 1Rh 2dyz 0.000512 0.000173 0.000625 0.000005 0.000490 -0.000263 1Rh 2dx2y2 0.000504 0.000116 -0.000220 0.000797 0.000226 -0.000659 1Rh 2dxy 0.000211 -0.000102 -0.000342 0.000133 -0.000399 -0.000256 1Rh 3dz2 -0.002465 0.000032 -0.001857 -0.010592 0.008373 -0.000364 1Rh 3dxz -0.001759 -0.016705 -0.004095 -0.007527 -0.002006 0.002095 1Rh 3dyz -0.011690 -0.005432 0.003972 -0.001014 0.007400 -0.013044 1Rh 3dx2y2 -0.002674 0.001871 -0.000689 0.020510 0.008698 -0.014285 1Rh 3dxy -0.005982 -0.000178 -0.024687 0.006807 -0.006052 0.004715 1Rh 4dz2 0.008572 0.001258 -0.000427 -0.014665 0.012158 -0.004331 1Rh 4dxz 0.002592 -0.020333 -0.000985 -0.008193 -0.000344 0.007449 1Rh 4dyz -0.000864 -0.001646 0.012891 -0.000477 0.015305 -0.015737 1Rh 4dx2y2 0.005652 0.003018 -0.003997 0.029036 0.009462 -0.023122 1Rh 4dxy -0.000991 -0.001405 -0.024372 0.007743 -0.010234 -0.001365 1Rh 5dz2 -0.033466 -0.010239 -0.016466 0.008933 -0.014822 0.002796 1Rh 5dxz -0.010544 -0.015369 -0.011130 0.002900 -0.020733 -0.015056 1Rh 5dyz -0.048873 -0.030769 -0.039747 0.001769 -0.031170 -0.001439 1Rh 5dx2y2 -0.026806 0.002694 0.005920 -0.011570 0.024037 0.020377 1Rh 5dxy -0.026263 -0.002837 -0.044847 0.001260 -0.000609 0.027578 1Rh 1f0 -0.000626 -0.000582 0.001542 -0.002916 0.001007 0.001649 1Rh 1f+1 0.000443 -0.000169 -0.000318 0.002548 0.000957 0.002816 1Rh 1f-1 -0.000425 0.001821 0.003948 -0.000196 0.000391 0.001028 1Rh 1f+2 -0.001162 0.000686 0.001898 0.004335 -0.001578 -0.003737 1Rh 1f-2 -0.000091 -0.002152 -0.001695 0.002475 0.002760 -0.004806 1Rh 1f+3 0.000336 0.001801 0.000146 0.004436 0.000511 0.002006 1Rh 1f-3 0.000232 0.001807 0.002016 0.002600 -0.002663 -0.001253 2C 1s -0.001670 0.003588 0.004213 -0.008931 -0.000872 -0.002339 2C 2s -0.003410 0.007643 0.008715 -0.019631 -0.001824 -0.004990 2C 3s -0.000072 -0.001999 0.010404 0.009940 0.001878 -0.002469 2C 4s 0.066716 -0.111692 -0.217200 0.295331 0.035692 0.095786 2C 5s -0.212435 0.117476 0.438304 -2.013949 -1.188316 0.556620 2C 1pz -0.027393 -0.002238 -0.044256 0.005968 0.058999 -0.009042 2C 1px 0.017811 -0.028428 -0.041711 0.014711 0.018363 0.052696 2C 1py 0.047554 -0.062011 -0.018210 0.004584 0.016493 0.002693 2C 2pz -0.048093 0.025040 -0.045296 0.021912 0.046752 0.002774 2C 2px 0.003080 -0.021868 -0.030851 0.022650 -0.021062 0.023160 2C 2py 0.065393 -0.083290 -0.040729 0.015270 -0.008943 0.024586 2C 3pz 0.802918 -0.989856 -0.104832 -0.892578 -0.289573 0.297542 2C 3px -0.411461 0.518012 0.913910 -0.682691 0.408389 -0.850274 2C 3py -1.107815 1.025278 -0.323815 -0.642163 0.330456 -0.083695 2C 1dz2 -0.001733 0.004301 0.001164 0.004376 0.000567 -0.000178 2C 1dxz 0.004537 -0.006685 0.004131 0.001291 -0.005259 -0.001611 2C 1dyz 0.004383 -0.003676 -0.002945 0.009790 -0.004443 0.005797 2C 1dx2y2 0.008030 -0.007341 -0.006508 0.000839 -0.000141 0.006695 2C 1dxy -0.010683 0.007733 -0.005357 0.002914 -0.001360 0.001197 2C 2dz2 -0.031174 0.043826 0.015894 -0.004065 -0.010161 -0.009438 2C 2dxz -0.017166 0.011890 -0.049184 0.014653 -0.013006 0.052274 2C 2dyz -0.010650 0.027595 0.045608 -0.014515 -0.025568 -0.034929 2C 2dx2y2 -0.045268 0.027485 0.003335 -0.006359 0.022668 -0.029348 2C 2dxy 0.044734 -0.049078 0.005939 0.000848 -0.020990 0.005525 2C 1f0 -0.007782 0.007759 0.000438 -0.000475 0.001616 -0.002927 2C 1f+1 0.002753 -0.001729 0.003824 -0.000913 -0.002772 -0.002194 2C 1f-1 0.002716 -0.002019 -0.001755 0.002132 -0.000411 0.002799 2C 1f+2 0.001454 -0.001644 -0.002585 0.000202 0.000666 0.004355 2C 1f-2 -0.002318 -0.000190 -0.006427 0.002207 0.000939 0.003910 2C 1f+3 -0.005623 0.006003 0.000182 -0.000887 -0.000273 -0.000837 2C 1f-3 -0.001092 0.002796 0.006509 -0.002237 -0.001893 -0.006173 3C 1s 0.003933 -0.001974 -0.006088 -0.007017 0.006273 -0.005733 3C 2s 0.008129 -0.004454 -0.013082 -0.015549 0.013810 -0.012132 3C 3s 0.005745 0.004277 0.001864 0.009652 -0.014626 0.003455 3C 4s -0.191651 0.063099 0.216508 0.225519 -0.141617 0.173640 3C 5s 0.444199 -0.428588 -0.808121 -1.433076 2.025381 -0.431172 3C 1pz 0.005458 -0.014173 0.030672 -0.014382 -0.033914 0.013775 3C 1px -0.036888 -0.009000 0.055798 0.008770 0.031332 0.060388 3C 1py 0.008822 -0.054333 -0.034896 0.020201 0.055412 -0.022439 3C 2pz -0.024489 -0.008806 0.045967 -0.007474 -0.011805 0.004117 3C 2px -0.021817 -0.029340 0.063569 0.027457 0.044865 0.066605 3C 2py 0.003265 -0.071053 -0.007460 -0.007628 0.022164 0.018810 3C 3pz -0.471068 0.722385 -0.165629 -0.268600 0.835692 -0.362337 3C 3px 0.808056 0.342821 -1.284455 -0.805173 -1.383851 -0.588584 3C 3py -0.082834 0.676197 -0.473357 0.911614 -0.785603 -0.482185 3C 1dz2 0.002111 -0.006628 0.001882 -0.002401 -0.000815 0.002088 3C 1dxz 0.007462 0.003232 -0.008013 -0.000616 -0.010735 -0.003008 3C 1dyz 0.006810 -0.004237 -0.000246 -0.009648 -0.003807 0.003602 3C 1dx2y2 -0.003694 0.004204 0.001017 -0.003260 0.005924 -0.001597 3C 1dxy 0.000577 0.004480 -0.008015 -0.005243 -0.004493 -0.005856 3C 2dz2 0.002972 0.007751 -0.008516 -0.002228 -0.004805 -0.002253 3C 2dxz -0.036175 -0.030252 0.039548 0.021963 0.084166 0.021281 3C 2dyz -0.051376 0.040438 0.041331 0.008219 0.024543 0.027726 3C 2dx2y2 0.014291 -0.030393 0.047848 -0.012486 -0.025504 0.048519 3C 2dxy 0.012368 -0.007833 0.003254 -0.012875 -0.045591 0.014644 3C 1f0 0.001763 -0.004890 0.003289 -0.001107 -0.000734 0.003987 3C 1f+1 0.005339 -0.001179 -0.004449 -0.001670 -0.005941 -0.001873 3C 1f-1 -0.002106 0.004545 0.000008 -0.000105 -0.001997 -0.000335 3C 1f+2 0.003285 -0.000644 -0.003517 -0.001656 0.000437 -0.002447 3C 1f-2 -0.001774 0.000071 0.000757 -0.000075 0.002959 0.000172 3C 1f+3 -0.000815 -0.004828 0.003458 0.001671 0.006093 0.001941 3C 1f-3 -0.005752 0.000848 0.007264 0.001350 0.005866 0.004745 4C 1s -0.000006 -0.008295 -0.011109 0.010292 0.016115 -0.003152 4C 2s 0.000090 -0.019604 -0.025264 0.022054 0.035887 -0.006676 4C 3s -0.014144 0.046867 0.054148 0.017245 -0.036227 -0.021646 4C 4s 0.095678 0.007057 0.086969 -0.516008 -0.415609 0.266768 4C 5s 0.067993 1.264956 0.718107 0.760485 0.017499 -0.656245 4C 1pz -0.015046 0.031859 0.024555 -0.055015 -0.009913 -0.004864 4C 1px -0.006746 -0.008072 -0.018318 -0.005929 -0.045061 -0.034023 4C 1py 0.033423 -0.025422 0.004635 -0.032712 0.010463 0.020820 4C 2pz 0.000374 0.105077 0.057170 -0.107958 -0.085809 0.035942 4C 2px -0.103669 -0.040021 -0.000179 -0.021809 -0.162606 -0.098516 4C 2py 0.063138 -0.009531 -0.000624 -0.062080 -0.022187 0.073509 4C 3pz -0.170669 0.538384 -0.040037 -1.497582 -0.109123 0.282281 4C 3px 0.083705 -0.627444 -0.465426 0.004776 -0.695899 0.472897 4C 3py 0.280614 -0.401107 0.182702 -0.984179 -0.688534 0.126198 4C 1dz2 -0.004022 0.003014 -0.002597 0.003354 -0.003270 -0.000412 4C 1dxz -0.001781 0.007309 0.004001 0.002026 -0.000117 0.000182 4C 1dyz 0.002548 -0.007952 -0.004836 0.004932 0.003506 0.002316 4C 1dx2y2 -0.002206 -0.005247 -0.007180 -0.001764 0.007521 -0.000147 4C 1dxy 0.001927 -0.004944 -0.005962 0.000828 0.005565 0.002027 4C 2dz2 0.035757 -0.024076 -0.006967 0.020135 0.021811 0.013641 4C 2dxz -0.039604 -0.014266 0.033396 0.015506 -0.004607 -0.029441 4C 2dyz 0.020316 -0.023050 -0.029849 -0.006421 0.021947 0.025322 4C 2dx2y2 0.024684 -0.015930 -0.015572 -0.040504 -0.015050 0.028638 4C 2dxy -0.047148 0.017027 -0.010080 -0.029181 -0.006691 0.000021 4C 1f0 0.001951 -0.001612 -0.000322 0.003154 -0.000166 -0.000340 4C 1f+1 -0.004338 0.003285 0.002255 0.005085 0.001810 -0.004297 4C 1f-1 -0.000215 0.001550 0.000711 -0.000029 -0.001765 0.000280 4C 1f+2 0.000950 0.001017 -0.001929 -0.004374 0.000581 0.002328 4C 1f-2 -0.003178 0.000993 0.003431 -0.001600 -0.002173 -0.002725 4C 1f+3 0.003675 -0.001973 0.000561 -0.000580 0.000123 0.000898 4C 1f-3 0.000335 0.000954 0.001153 0.005487 0.001354 0.000343 5C 1s -0.002742 0.010311 0.016192 0.002204 -0.020236 0.005382 5C 2s -0.005745 0.022603 0.036762 0.003765 -0.045572 0.013751 5C 3s 0.029207 -0.022291 -0.061888 0.042801 0.026998 -0.062343 5C 4s -0.081237 -0.272202 -0.224047 -0.368457 0.582606 0.235710 5C 5s -0.195344 0.088423 -0.850725 1.072671 0.599772 -1.354676 5C 1pz 0.011193 -0.022285 -0.002712 -0.032508 0.003230 0.023576 5C 1px 0.003125 -0.020953 0.021161 -0.010039 0.020511 -0.016214 5C 1py -0.006499 0.005832 0.052972 0.036904 -0.051125 0.008532 5C 2pz -0.047159 -0.043119 -0.044118 -0.038227 0.063147 0.002110 5C 2px 0.122670 0.002642 0.049920 -0.041121 0.091251 0.056668 5C 2py 0.052891 0.050884 0.152528 0.037342 -0.208805 0.064441 5C 3pz 0.076155 -0.465519 -0.388630 -0.725000 0.707176 -0.266195 5C 3px -0.054083 -0.086714 0.715411 -0.285525 1.568409 0.555632 5C 3py 0.110015 -0.103773 0.585339 1.138939 -1.332639 0.460994 5C 1dz2 0.003682 -0.004608 -0.005489 0.002253 0.007697 -0.005781 5C 1dxz 0.000571 -0.003098 -0.005017 0.004923 0.005336 -0.003181 5C 1dyz 0.001107 -0.001215 -0.011396 0.000496 0.010397 -0.010420 5C 1dx2y2 -0.001321 -0.001002 0.006946 -0.006537 -0.007176 0.007328 5C 1dxy 0.001301 -0.002340 -0.000060 -0.002902 -0.001310 0.000598 5C 2dz2 0.010739 -0.005149 -0.006533 0.032448 -0.014435 -0.012207 5C 2dxz 0.061818 0.020953 -0.017782 0.006578 -0.059409 0.022226 5C 2dyz 0.067934 -0.016320 -0.027176 0.017771 -0.015869 -0.018340 5C 2dx2y2 0.000248 0.020471 -0.017321 -0.038600 0.051224 -0.010916 5C 2dxy -0.055631 -0.012317 -0.021625 0.013307 0.021682 -0.060673 5C 1f0 0.002572 0.003235 -0.000616 0.001882 -0.003006 -0.000887 5C 1f+1 -0.000430 -0.000653 0.000072 0.004977 -0.000656 -0.002739 5C 1f-1 0.001690 0.000677 -0.000538 -0.000960 -0.000023 0.000844 5C 1f+2 -0.000003 0.000504 0.000979 -0.001070 -0.002253 0.001843 5C 1f-2 -0.007146 -0.000416 0.000627 -0.002458 0.003401 -0.000288 5C 1f+3 0.004756 0.001356 -0.004619 0.003455 -0.006046 -0.003570 5C 1f-3 -0.000853 -0.000263 -0.002048 -0.006422 0.000865 0.001268 6C 1s 0.004118 0.010142 0.016001 0.002258 -0.018348 0.010043 6C 2s 0.008851 0.022241 0.036370 0.003878 -0.042442 0.021472 6C 3s -0.034433 -0.019732 -0.061630 0.042650 0.062074 0.025980 6C 4s 0.060360 -0.281409 -0.217691 -0.369532 0.261845 -0.566996 6C 5s 0.119282 0.088789 -0.876453 1.074105 1.360988 0.554322 6C 1pz 0.012743 0.022887 0.001708 0.032615 0.012992 0.019744 6C 1px 0.003658 0.020999 -0.021228 0.010085 -0.026377 0.001974 6C 1py -0.009196 -0.004393 -0.052831 -0.037161 0.042034 -0.029069 6C 2pz -0.043126 0.051523 0.043988 0.037799 -0.048784 0.046827 6C 2px 0.119783 -0.013586 -0.053702 0.041781 -0.021470 0.102504 6C 2py 0.042846 -0.053330 -0.154076 -0.037404 0.195532 -0.097392 6C 3pz 0.122450 0.465560 0.379763 0.725379 -0.703405 0.296236 6C 3px -0.080257 0.101413 -0.712680 0.284956 -0.724864 1.478054 6C 3py 0.114991 0.095676 -0.580804 -1.142864 1.288027 -0.604517 6C 1dz2 -0.004404 -0.004438 -0.005375 0.002234 0.009593 -0.001194 6C 1dxz -0.001084 -0.003166 -0.005031 0.004926 0.006097 -0.001438 6C 1dyz -0.001765 -0.001030 -0.011466 0.000472 0.014639 0.000233 6C 1dx2y2 0.001608 -0.001237 0.006967 -0.006503 -0.010150 -0.000199 6C 1dxy -0.001488 -0.002232 -0.000014 -0.002919 -0.001373 0.000523 6C 2dz2 -0.011694 -0.004920 -0.006583 0.032379 -0.001819 0.019026 6C 2dxz -0.060660 0.027239 -0.015654 0.006262 -0.059624 0.024624 6C 2dyz -0.070879 -0.010818 -0.025773 0.017425 0.000215 0.024460 6C 2dx2y2 0.001194 0.021449 -0.017430 -0.038533 0.044064 -0.027770 6C 2dxy 0.054196 -0.017219 -0.023810 0.013850 0.059076 0.028660 6C 1f0 0.002349 -0.003555 0.000550 -0.001867 0.001632 -0.002617 6C 1f+1 -0.000276 0.000764 -0.000010 -0.004984 -0.001434 -0.002430 6C 1f-1 0.001675 -0.000837 0.000475 0.000978 0.000686 0.000573 6C 1f+2 -0.000068 -0.000453 -0.001024 0.001066 0.002920 -0.000175 6C 1f-2 -0.007224 0.000988 -0.000454 0.002419 -0.002831 0.002138 6C 1f+3 0.004851 -0.001850 0.004503 -0.003431 0.001939 -0.006662 6C 1f-3 -0.000806 0.000213 0.002015 0.006429 0.000256 0.001453 7C 1s -0.001139 -0.008453 -0.010992 0.010271 0.013954 -0.008726 7C 2s -0.002733 -0.019928 -0.025003 0.022008 0.030815 -0.019639 7C 3s 0.019940 0.046713 0.053119 0.017107 -0.010627 0.039520 7C 4s -0.088163 0.014148 0.088862 -0.514165 -0.494309 0.098111 7C 5s 0.050416 1.265226 0.717788 0.763498 0.485372 0.417429 7C 1pz -0.019204 -0.031306 -0.023616 0.054911 0.004412 -0.009945 7C 1px -0.006528 0.007772 0.018771 0.005878 0.008821 -0.055318 7C 1py 0.035183 0.022977 -0.006028 0.032969 0.007080 0.021495 7C 2pz -0.010662 -0.106139 -0.056715 0.107651 0.087356 -0.030487 7C 2px -0.101995 0.047505 0.004200 0.021322 0.051184 -0.184117 7C 2py 0.064763 0.005901 -0.002724 0.062743 0.067850 0.037050 7C 3pz -0.203649 -0.520688 0.048727 1.495797 0.286406 0.139940 7C 3px 0.133264 0.609476 0.460820 -0.005015 0.835131 -0.151559 7C 3py 0.303171 0.376752 -0.184106 0.985516 0.599583 -0.387015 7C 1dz2 0.004182 0.002789 -0.002708 0.003350 -0.002081 0.002551 7C 1dxz 0.002433 0.007230 0.003922 0.002017 -0.000170 -0.000266 7C 1dyz -0.003372 -0.007849 -0.004738 0.004939 0.000876 -0.003924 7C 1dx2y2 0.001604 -0.005433 -0.007185 -0.001756 0.005566 -0.004905 7C 1dxy -0.002530 -0.004836 -0.005837 0.000821 0.002639 -0.005206 7C 2dz2 -0.037443 -0.020740 -0.005571 0.020098 0.006178 -0.024380 7C 2dxz 0.039539 -0.017500 0.032067 0.015426 0.016338 0.025667 7C 2dyz -0.023366 -0.022643 -0.028600 -0.006393 -0.001832 -0.032702 7C 2dx2y2 -0.027065 -0.015544 -0.013955 -0.040470 -0.030830 -0.010349 7C 2dxy 0.047221 0.011856 -0.011709 -0.028709 -0.005470 0.004306 7C 1f0 0.002049 0.001371 0.000232 -0.003116 -0.000209 -0.000349 7C 1f+1 -0.004573 -0.003009 -0.002014 -0.005072 -0.004237 -0.001824 7C 1f-1 -0.000419 -0.001626 -0.000646 0.000030 0.001454 -0.000977 7C 1f+2 0.000942 -0.000989 0.001909 0.004311 0.001271 0.002095 7C 1f-2 -0.003401 -0.000752 -0.003341 0.001582 -0.000296 -0.003522 7C 1f+3 0.003810 0.001678 -0.000726 0.000626 0.000514 0.000616 7C 1f-3 0.000211 -0.001080 -0.001167 -0.005467 -0.000793 0.001226 8C 1s -0.004307 -0.001704 -0.005989 -0.007052 0.008451 -0.000267 8C 2s -0.008948 -0.003891 -0.012885 -0.015622 0.018270 -0.000917 8C 3s -0.005561 0.004629 0.002165 0.009573 -0.013048 0.007364 8C 4s 0.204957 0.049941 0.210197 0.227314 -0.220132 -0.023697 8C 5s -0.473110 -0.410136 -0.777367 -1.439291 1.764520 -1.107265 8C 1pz 0.006023 0.014712 -0.030960 0.014053 0.034252 -0.013695 8C 1px -0.038569 0.013482 -0.054800 -0.008899 0.018932 0.064830 8C 1py 0.015241 0.054845 0.034788 -0.020303 -0.055476 0.021582 8C 2pz -0.025556 0.012961 -0.045143 0.006590 0.011345 -0.004621 8C 2px -0.021733 0.033131 -0.062306 -0.027518 0.013819 0.077730 8C 2py 0.010489 0.072436 0.007251 0.007370 -0.002781 0.027845 8C 3pz -0.534121 -0.711286 0.189607 0.271900 -0.843131 0.325425 8C 3px 0.826194 -0.438584 1.249306 0.813341 0.597551 -1.363863 8C 3py -0.108740 -0.701245 0.482801 -0.908843 0.242514 -0.880682 8C 1dz2 -0.002763 -0.006642 0.001850 -0.002441 -0.002052 -0.000685 8C 1dxz -0.007430 0.004329 -0.007816 -0.000647 -0.005732 0.009528 8C 1dyz -0.007225 -0.003725 -0.000074 -0.009699 -0.005291 0.000217 8C 1dx2y2 0.004171 0.004001 0.000934 -0.003242 0.005288 -0.003107 8C 1dxy -0.000401 0.004846 -0.008007 -0.005234 0.000895 0.007157 8C 2dz2 -0.001899 0.007805 -0.007557 -0.002051 -0.001563 0.003815 8C 2dxz 0.035004 -0.035969 0.038603 0.022154 0.046379 -0.073116 8C 2dyz 0.057243 0.036571 0.040269 0.008355 -0.001085 -0.038131 8C 2dx2y2 -0.015288 -0.030310 0.048488 -0.012506 -0.051703 -0.016157 8C 2dxy -0.013684 -0.007413 0.003821 -0.012965 -0.043418 0.021387 8C 1f0 0.002162 0.004928 -0.003348 0.001128 0.003316 0.002152 8C 1f+1 0.005661 0.000593 0.004376 0.001691 0.002936 -0.005525 8C 1f-1 -0.002588 -0.004579 0.000063 0.000096 0.001163 -0.001525 8C 1f+2 0.003496 0.000288 0.003449 0.001697 -0.001962 -0.001468 8C 1f-2 -0.001715 0.000210 -0.000650 0.000093 -0.002040 0.002165 8C 1f+3 -0.000383 0.005148 -0.003333 -0.001657 -0.003087 0.005403 8C 1f-3 -0.006196 -0.000193 -0.007156 -0.001387 -0.001065 0.007560 9C 1s 0.002132 0.003570 0.004123 -0.008941 0.000961 0.002214 9C 2s 0.004397 0.007621 0.008542 -0.019654 0.002095 0.004695 9C 3s 0.000236 -0.002211 0.010104 0.010060 0.002578 0.000740 9C 4s -0.084650 -0.109815 -0.211970 0.295171 -0.036560 -0.093205 9C 5s 0.236121 0.109392 0.418014 -2.015059 -1.276485 0.424673 9C 1pz -0.025392 0.004643 0.044737 -0.006047 -0.048670 0.033639 9C 1px 0.020266 0.026262 0.040327 -0.014427 0.022627 0.050734 9C 1py 0.053457 0.059171 0.016588 -0.004523 -0.009935 0.012828 9C 2pz -0.046999 -0.020606 0.046974 -0.021659 -0.031273 0.035175 9C 2px 0.003022 0.019307 0.029597 -0.022252 0.030100 0.002331 9C 2py 0.074477 0.078623 0.037055 -0.015190 0.022683 0.010280 9C 3pz 0.877172 0.923379 0.077791 0.892279 0.422198 0.001863 9C 3px -0.452810 -0.461021 -0.892710 0.675958 -0.865113 -0.342189 9C 3py -1.175389 -0.940020 0.360154 0.646302 -0.295257 0.180916 9C 1dz2 0.002072 0.004167 0.001050 0.004356 0.000542 -0.000331 9C 1dxz -0.004721 -0.006230 0.004345 0.001222 -0.002664 0.005082 9C 1dyz -0.004969 -0.003464 -0.002638 0.009764 -0.007144 -0.001119 9C 1dx2y2 -0.009082 -0.006932 -0.005975 0.000710 -0.004646 -0.004704 9C 1dxy 0.010812 0.006720 -0.005872 0.003031 -0.001994 -0.000179 9C 2dz2 0.034843 0.041752 0.015067 -0.004063 -0.000378 0.013393 9C 2dxz 0.016008 0.010308 -0.049506 0.014574 -0.045194 -0.030224 9C 2dyz 0.015160 0.027848 0.044140 -0.014307 0.005604 0.042141 9C 2dx2y2 0.049188 0.025315 0.001050 -0.006038 0.036959 0.005366 9C 2dxy -0.046483 -0.044545 0.007508 0.000379 -0.018177 0.011345 9C 1f0 -0.008432 -0.007227 -0.000117 0.000421 -0.003169 -0.000906 9C 1f+1 0.002531 0.001377 -0.003938 0.000962 0.000376 -0.003608 9C 1f-1 0.002972 0.001794 0.001518 -0.002058 0.002135 0.001698 9C 1f+2 0.001675 0.001501 0.002272 -0.000100 0.002447 0.003477 9C 1f-2 -0.001990 0.000429 0.006455 -0.002199 0.002028 0.003557 9C 1f+3 -0.006035 -0.005534 0.000219 0.000795 -0.000297 -0.000504 9C 1f-3 -0.001768 -0.002959 -0.006464 0.002264 -0.002894 -0.005861 10H 1s 0.011816 -0.003757 -0.014031 -0.007975 0.015776 0.012323 10H 2s 0.196258 -0.151736 -0.251996 0.056606 0.072999 0.302670 10H 3s 0.283148 -0.366215 -0.535654 0.076200 -0.052665 0.074303 10H 1pz 0.017676 -0.018299 -0.008919 0.001190 -0.001801 0.017492 10H 1px -0.005694 0.001401 0.008640 -0.006669 -0.000238 -0.017729 10H 1py -0.010541 0.008032 -0.011245 0.000008 0.002955 0.006692 11H 1s 0.018030 -0.020391 0.012515 -0.018809 0.001012 -0.008479 11H 2s 0.245426 -0.202278 0.282775 -0.127175 -0.060962 -0.199774 11H 3s 0.360741 -0.507431 -0.024557 -0.220480 0.420490 -0.020870 11H 1pz 0.016349 -0.012471 0.013582 -0.004263 -0.006675 -0.008234 11H 1px -0.002603 0.005417 0.021942 -0.006448 -0.005149 -0.019598 11H 1py -0.011387 0.008525 -0.004908 -0.003788 0.008283 -0.001108 12H 1s -0.030762 0.019813 -0.002591 -0.016730 0.003425 -0.012326 12H 2s -0.444436 0.404184 0.027800 -0.104966 0.082459 -0.203834 12H 3s -0.506605 0.415109 -0.110935 -0.219329 0.532145 -0.229450 12H 1pz 0.002355 -0.000546 -0.001015 -0.004905 0.008367 -0.001500 12H 1px -0.010848 0.011675 0.014868 -0.006240 0.000904 -0.015810 12H 1py -0.025718 0.025641 -0.000515 -0.002218 0.001732 -0.007620 13H 1s -0.020850 0.003848 0.005669 -0.005977 0.023164 -0.008168 13H 2s -0.334148 0.042930 0.211105 0.075331 0.425650 0.033563 13H 3s -0.431050 0.073067 0.562656 0.012050 0.534668 0.039038 13H 1pz -0.016517 0.011140 0.002051 0.005107 0.018961 -0.001697 13H 1px 0.011111 0.004641 -0.007155 -0.008890 -0.018099 -0.002917 13H 1py 0.009211 0.005924 -0.016319 0.000000 -0.018633 -0.012409 14H 1s 0.010667 0.015043 -0.016452 -0.018479 -0.011332 -0.010450 14H 2s 0.156719 0.241395 -0.337790 -0.125668 -0.293918 -0.244201 14H 3s 0.085032 0.400228 -0.351018 -0.344855 -0.558136 -0.054754 14H 1pz -0.004608 0.014793 -0.008826 0.000949 0.002556 -0.012349 14H 1px 0.017017 0.008291 -0.023259 -0.005416 -0.022276 -0.015305 14H 1py -0.003355 -0.000084 0.002646 0.007244 0.007872 -0.000134 15H 1s 0.015756 -0.018836 0.008966 -0.020705 -0.004039 0.016212 15H 2s 0.229542 -0.299610 0.031378 -0.111506 -0.086333 0.113190 15H 3s 0.094388 -0.211428 0.433472 -0.399025 -0.445964 0.543191 15H 1pz -0.010634 0.010754 0.003280 -0.002303 0.003052 -0.000798 15H 1px 0.014458 -0.000609 -0.014373 -0.006368 -0.017663 -0.005617 15H 1py -0.010364 0.018623 -0.000572 0.001700 -0.002818 -0.000431 16H 1s 0.000711 0.011704 0.004467 -0.000667 0.000238 -0.019524 16H 2s -0.021237 0.103697 0.072546 -0.046794 -0.136613 -0.071872 16H 3s 0.073587 0.088469 -0.089645 -0.007375 0.332746 -0.229483 16H 1pz -0.002896 0.004550 0.006985 -0.006078 -0.016904 0.002502 16H 1px 0.001820 0.000301 -0.001834 0.000705 0.008061 -0.006229 16H 1py -0.001604 0.001377 0.002127 -0.002228 -0.004743 -0.000447 17H 1s -0.002851 -0.003145 0.005917 0.002232 0.011238 0.012029 17H 2s -0.004171 -0.059989 -0.014397 0.015577 0.152448 0.113867 17H 3s -0.029005 0.146249 0.126503 -0.063418 -0.034169 -0.095547 17H 1pz -0.000312 0.004348 0.001046 0.001120 -0.008510 -0.006763 17H 1px -0.001736 0.005348 0.007058 -0.000704 -0.010653 -0.002812 17H 1py 0.000213 -0.003021 -0.000523 -0.001012 0.004453 0.003257 18H 1s 0.002660 -0.003647 0.005799 0.002317 -0.000561 -0.016092 18H 2s -0.000191 -0.060827 -0.012817 0.015148 0.027054 -0.182042 18H 3s 0.039835 0.141379 0.122783 -0.061971 0.036363 0.088253 18H 1pz -0.000612 -0.004498 -0.001113 -0.001166 0.001456 -0.010742 18H 1px -0.002207 -0.005032 -0.006820 0.000574 0.005610 -0.009059 18H 1py 0.000251 0.002744 0.000308 0.001070 -0.000602 0.004809 19H 1s 0.000253 0.011937 0.004819 -0.000682 0.013852 0.013362 19H 2s 0.031893 0.102737 0.074553 -0.047144 -0.047169 0.142198 19H 3s -0.072903 0.097251 -0.085914 -0.007201 0.392119 -0.066397 19H 1pz -0.003438 -0.004178 -0.006852 0.005994 0.013549 -0.009505 19H 1px 0.001949 -0.000423 0.001793 -0.000776 -0.010265 0.001295 19H 1py -0.001872 -0.001411 -0.002357 0.002403 0.003397 -0.003885 20H 1s -0.017030 -0.018420 0.009692 -0.020753 -0.013941 -0.008512 20H 2s -0.257864 -0.291121 0.039414 -0.112193 -0.139856 -0.014486 20H 3s -0.093346 -0.216579 0.438450 -0.398660 -0.691354 -0.074472 20H 1pz -0.011842 -0.010262 -0.002831 0.002304 -0.002720 0.001655 20H 1px 0.015317 -0.000800 0.013962 0.006464 0.009064 -0.016296 20H 1py -0.012191 -0.018344 0.000876 -0.001712 0.001720 -0.001854 21H 1s -0.009857 0.016991 -0.016259 -0.018642 -0.001481 0.015066 21H 2s -0.148358 0.270522 -0.334511 -0.127421 -0.048085 0.373277 21H 3s -0.064309 0.428874 -0.345864 -0.346792 -0.371041 0.417876 21H 1pz -0.005534 -0.015076 0.009216 -0.000928 -0.010230 -0.006926 21H 1px 0.017294 -0.010389 0.022759 0.005585 0.005807 -0.026185 21H 1py -0.003366 0.000318 -0.002420 -0.007223 -0.005622 0.005220 22H 1s 0.021502 0.001864 0.004858 -0.005849 0.022636 -0.010264 22H 2s 0.347158 0.009752 0.198986 0.076898 0.286625 -0.319396 22H 3s 0.456748 0.034274 0.542989 0.015506 0.357137 -0.391093 22H 1pz -0.017632 -0.009983 -0.001414 -0.005073 -0.014792 0.012078 22H 1px 0.011094 -0.005980 0.006768 0.008977 0.011332 -0.014598 22H 1py 0.009480 -0.007307 0.016098 0.000090 0.005076 -0.021773 23H 1s 0.032274 0.017630 -0.003803 -0.016602 0.010885 0.006251 23H 2s 0.475585 0.371277 0.010681 -0.102384 0.199187 0.085637 23H 3s 0.528613 0.366410 -0.133149 -0.216318 0.539057 -0.206630 23H 1pz 0.002626 0.000561 0.001019 0.004860 -0.006948 0.004749 23H 1px -0.011924 -0.010600 -0.014341 0.006139 -0.011392 -0.010831 23H 1py -0.027741 -0.023930 0.001240 0.002153 -0.006682 -0.004103 24H 1s -0.018985 -0.019087 0.013023 -0.018831 0.006229 0.006135 24H 2s -0.248982 -0.183288 0.289105 -0.127790 0.091917 0.193090 24H 3s -0.399758 -0.479759 -0.004672 -0.221586 0.320933 -0.261263 24H 1pz 0.016750 0.011196 -0.013867 0.004290 -0.000763 -0.010590 24H 1px -0.003588 -0.005075 -0.021724 0.006371 -0.009542 -0.018051 24H 1py -0.011812 -0.007705 0.004950 0.003843 -0.006971 0.004853 25H 1s -0.012719 -0.002805 -0.013421 -0.008098 0.003199 -0.020266 25H 2s -0.216252 -0.136185 -0.241271 0.054479 -0.152018 -0.273150 25H 3s -0.323650 -0.338922 -0.521489 0.074633 -0.082276 -0.020689 25H 1pz 0.019356 0.016971 0.008160 -0.001091 0.013386 0.011344 25H 1px -0.005994 -0.000858 -0.008380 0.006581 -0.011894 -0.013264 25H 1py -0.010800 -0.007197 0.011463 0.000048 0.002349 0.006956 26O 1s -0.001710 0.000478 0.002725 -0.007411 -0.014175 0.001387 26O 2s -0.003918 0.000796 0.006813 -0.017656 -0.035642 0.004490 26O 3s 0.000906 0.004523 -0.013035 0.020750 0.072921 -0.024253 26O 4s 0.054719 -0.039601 -0.017806 0.083450 0.007146 0.091121 26O 5s -0.043326 0.122700 -0.012328 0.328979 1.052785 -0.509257 26O 1pz -0.030360 0.018758 0.014885 0.028312 -0.012033 0.003470 26O 1px -0.002153 0.045038 0.051269 0.002614 -0.034167 -0.003049 26O 1py 0.008540 0.004147 -0.002508 0.020493 -0.035962 -0.004892 26O 2pz -0.034073 0.022392 -0.014986 0.023962 -0.011038 0.040654 26O 2px -0.023373 0.044105 0.038180 -0.012076 -0.054451 0.014562 26O 2py 0.032047 -0.034466 -0.011542 0.012638 -0.052967 0.030737 26O 3pz -0.034196 -0.013720 0.180338 0.075286 0.025557 -0.263199 26O 3px -0.017456 0.080776 0.178744 -0.298426 -0.315396 -0.058670 26O 3py -0.130190 0.175122 0.069754 -0.059591 -0.077337 -0.205296 26O 1dz2 0.000189 -0.000011 -0.001464 0.001396 0.000924 0.000269 26O 1dxz 0.000467 -0.000935 -0.000845 -0.000694 -0.000270 -0.001328 26O 1dyz 0.000653 -0.001005 -0.000356 -0.001159 -0.000109 -0.000103 26O 1dx2y2 -0.000064 0.000420 0.000236 -0.002226 -0.001972 -0.000369 26O 1dxy -0.000797 0.000298 0.000264 -0.002736 -0.002063 -0.001572 26O 2dz2 -0.012736 0.004022 0.002468 -0.004295 -0.002340 -0.004152 26O 2dxz 0.000268 -0.000496 -0.001538 -0.004501 0.000782 -0.002924 26O 2dyz 0.001694 -0.006455 -0.000114 -0.002324 0.002099 -0.006476 26O 2dx2y2 0.007134 -0.001770 -0.005988 0.007756 0.007657 0.003149 26O 2dxy 0.000995 0.000476 -0.002258 0.003157 0.011469 -0.003552 26O 1f0 0.000059 -0.000298 0.000178 0.000285 0.000308 -0.000140 26O 1f+1 0.000417 0.000120 0.000134 0.000192 0.000537 -0.000258 26O 1f-1 -0.000355 0.000521 0.000756 0.000196 0.000346 -0.000493 26O 1f+2 0.000299 -0.000371 -0.000294 -0.000108 -0.000271 0.000439 26O 1f-2 -0.000112 0.000803 0.000615 -0.000403 -0.000290 -0.000318 26O 1f+3 0.000413 -0.000393 -0.000142 0.000080 0.000201 0.000317 26O 1f-3 -0.000135 0.000009 -0.000515 0.000618 0.000926 -0.000283 27O 1s 0.004086 -0.006218 -0.004214 -0.003432 0.014248 -0.002780 27O 2s 0.009732 -0.015581 -0.009785 -0.007800 0.036389 -0.006057 27O 3s -0.011630 0.032195 0.008055 0.002294 -0.082519 -0.000253 27O 4s -0.062154 0.005159 0.080345 0.070735 0.051845 0.091009 27O 5s 0.019641 0.224945 -0.122599 0.124644 -1.575806 -0.307592 27O 1pz 0.002318 -0.009326 0.011049 0.018219 -0.010477 0.037785 27O 1px 0.011647 -0.019865 -0.052098 0.034186 0.053519 -0.036192 27O 1py -0.021782 -0.020245 0.019069 -0.028336 -0.014592 0.006104 27O 2pz -0.016763 -0.029419 0.037399 0.021887 0.026145 0.055719 27O 2px 0.007680 -0.017950 -0.030030 0.014445 0.088900 -0.001659 27O 2py 0.001110 -0.033975 0.014126 -0.025119 -0.051848 -0.009854 27O 3pz 0.073500 0.110644 -0.087725 0.048121 -0.243440 -0.079063 27O 3px 0.144932 -0.062903 -0.251310 -0.179089 0.467657 -0.103558 27O 3py -0.152922 0.020804 0.048746 -0.009364 0.143778 0.129486 27O 1dz2 -0.000695 0.000864 0.001246 0.001732 -0.001137 -0.000164 27O 1dxz -0.000644 0.000643 0.000930 -0.000061 -0.000361 -0.001466 27O 1dyz 0.000626 -0.000317 -0.000611 0.000909 -0.000001 0.000094 27O 1dx2y2 0.000925 -0.001026 -0.001325 -0.001830 0.003677 -0.000394 27O 1dxy -0.000209 0.000827 -0.001007 0.002003 0.000388 0.000620 27O 2dz2 0.006404 -0.002529 -0.000165 -0.002798 0.011957 0.006913 27O 2dxz 0.004203 0.003356 -0.001246 -0.006361 -0.001092 -0.004243 27O 2dyz -0.002951 0.000081 -0.004182 0.002948 0.010061 -0.003266 27O 2dx2y2 -0.008992 -0.006252 0.002660 0.009332 -0.003720 -0.004442 27O 2dxy 0.000985 0.004967 -0.000717 0.002995 0.010848 0.003291 27O 1f0 -0.000061 0.000443 0.000174 -0.000111 0.000254 0.000023 27O 1f+1 -0.000347 0.000403 0.000305 0.000333 -0.001094 -0.000342 27O 1f-1 -0.000182 0.000016 -0.000105 -0.000136 0.001040 -0.000192 27O 1f+2 -0.000565 -0.000350 0.000477 -0.000054 0.000555 0.000155 27O 1f-2 -0.000134 0.000254 0.000868 -0.000069 -0.000154 0.000955 27O 1f+3 -0.000184 0.000053 -0.000507 0.000360 -0.000548 -0.001128 27O 1f-3 -0.000040 0.000201 -0.000489 -0.000285 0.001790 -0.000076 28O 1s 0.002401 0.007575 0.008409 -0.008315 -0.000924 0.006599 28O 2s 0.005663 0.019753 0.021805 -0.020491 -0.002280 0.015102 28O 3s -0.003407 -0.051191 -0.056447 0.035547 0.003933 -0.007220 28O 4s -0.055063 0.053394 0.055042 0.030611 -0.000008 -0.141628 28O 5s -0.114481 -0.804816 -0.586100 0.589616 0.012358 0.008608 28O 1pz 0.013387 0.028766 0.009190 0.030052 -0.037308 -0.000056 28O 1px 0.025999 -0.035505 -0.043142 0.012956 0.021303 0.014308 28O 1py 0.001712 0.010728 0.004041 0.027577 0.011188 -0.019769 28O 2pz 0.039988 0.027723 -0.001572 0.016007 -0.042802 0.023826 28O 2px 0.007406 -0.036341 -0.033006 0.021292 0.013317 0.001335 28O 2py -0.006325 0.018404 0.005122 0.017947 0.006510 -0.015905 28O 3pz 0.070586 0.176587 0.079981 -0.115590 0.001740 0.012850 28O 3px -0.082839 -0.196457 -0.117682 0.280471 0.142851 -0.145230 28O 3py 0.005499 0.073950 -0.008994 0.056509 0.080284 -0.067569 28O 1dz2 0.000190 -0.000758 0.000689 -0.001026 0.001727 -0.000477 28O 1dxz -0.001025 -0.001173 -0.001089 0.003368 -0.000127 -0.002110 28O 1dyz -0.000972 -0.000166 -0.000884 -0.001223 0.000308 0.001380 28O 1dx2y2 0.001161 0.000621 0.000911 -0.001509 -0.001347 0.001234 28O 1dxy 0.001182 -0.001447 -0.000418 0.000745 -0.000649 0.000961 28O 2dz2 -0.000782 -0.003070 -0.002152 -0.001566 0.006854 0.006058 28O 2dxz 0.012211 0.004643 -0.007829 -0.002210 0.000853 0.009370 28O 2dyz 0.004942 -0.006405 -0.004274 -0.000530 0.004707 0.006053 28O 2dx2y2 -0.010748 -0.002615 -0.000010 0.005308 -0.002870 -0.004579 28O 2dxy 0.001881 -0.001142 0.001256 0.002590 0.001631 0.000440 28O 1f0 -0.000218 0.000012 0.000118 -0.000061 -0.000375 -0.000335 28O 1f+1 -0.000055 -0.000794 -0.000094 0.000665 0.000491 0.000146 28O 1f-1 0.000026 0.000596 0.000618 -0.000247 -0.000346 -0.000402 28O 1f+2 0.000299 0.000497 -0.000108 -0.000473 -0.000141 0.000629 28O 1f-2 0.000212 -0.000352 -0.000543 0.000569 0.000091 -0.000033 28O 1f+3 0.000794 -0.000116 0.000207 -0.000021 0.000043 0.000501 28O 1f-3 -0.000136 0.000298 -0.000255 0.000130 -0.000088 -0.000032 29O 1s -0.000473 -0.000627 0.000902 -0.011346 0.001685 -0.006142 29O 2s -0.001141 -0.001168 0.002209 -0.026624 0.004234 -0.014975 29O 3s 0.001570 -0.003349 -0.003979 0.027224 -0.009295 0.024757 29O 4s 0.002198 0.034255 0.000718 0.177351 -0.001695 0.060671 29O 5s 0.021822 -0.099337 -0.051650 -0.054088 -0.068572 0.042561 29O 1pz 0.011740 0.007278 -0.006190 0.032770 0.022584 -0.001986 29O 1px 0.005857 -0.028484 -0.020823 -0.082656 -0.013547 -0.028659 29O 1py 0.005780 0.005004 -0.030221 -0.021826 -0.014269 -0.032407 29O 2pz 0.012010 0.015599 0.005899 0.028457 0.000462 -0.011088 29O 2px 0.010035 -0.027053 -0.022103 -0.078476 -0.026472 -0.029598 29O 2py 0.005576 -0.000581 -0.042598 -0.027807 -0.024285 -0.037763 29O 3pz -0.007990 0.086597 0.016827 0.006129 -0.091534 -0.050882 29O 3px -0.019140 -0.007245 -0.005066 -0.113616 -0.042065 -0.090670 29O 3py -0.002207 0.040301 0.037453 -0.008410 0.054462 0.030620 29O 1dz2 -0.000130 0.001445 0.000625 0.000913 -0.001465 -0.000790 29O 1dxz -0.000017 -0.000535 -0.000061 0.002306 0.001307 0.002678 29O 1dyz -0.000358 0.001409 0.001035 -0.000503 -0.002484 -0.001424 29O 1dx2y2 0.000040 -0.000683 -0.000528 -0.002630 0.000394 -0.001232 29O 1dxy 0.000184 0.000724 -0.000683 -0.000598 -0.001535 -0.001366 29O 2dz2 0.000892 -0.000538 -0.002182 0.004886 0.009132 -0.002515 29O 2dxz -0.001245 0.002407 0.004576 0.003994 -0.008349 0.004620 29O 2dyz 0.001138 -0.003396 -0.001789 0.001571 0.010891 0.001180 29O 2dx2y2 0.000006 0.001541 0.001227 -0.007482 -0.002125 -0.003711 29O 2dxy 0.000422 -0.002338 -0.004035 0.001452 -0.000051 0.002565 29O 1f0 -0.000125 0.000312 0.000297 -0.000357 -0.000392 0.000074 29O 1f+1 0.000047 0.000066 0.000002 -0.000200 -0.000577 -0.000168 29O 1f-1 -0.000164 0.000251 0.000174 -0.000856 -0.001229 0.000130 29O 1f+2 0.000123 -0.000131 -0.000303 0.000509 0.000498 -0.000085 29O 1f-2 0.000074 -0.000638 -0.000665 -0.000424 0.001129 0.000137 29O 1f+3 -0.000101 0.000214 0.000521 0.000715 -0.000382 0.000328 29O 1f-3 -0.000071 0.000100 0.000209 -0.000561 -0.000663 -0.000458 30O 1s -0.001960 -0.004603 -0.013849 -0.003227 0.011144 -0.001014 30O 2s -0.004557 -0.011433 -0.035375 -0.007605 0.026422 -0.003594 30O 3s -0.000673 0.020642 0.081801 0.007949 -0.028748 0.022242 30O 4s 0.062410 0.019380 -0.041334 0.032763 -0.148765 -0.089278 30O 5s 0.275777 0.231423 1.093228 0.183267 -0.412090 0.749581 30O 1pz 0.009458 0.012355 -0.017118 0.024003 0.026904 -0.041274 30O 1px -0.038027 0.018997 0.040065 0.002855 -0.041830 0.005119 30O 1py 0.014179 0.014955 0.028144 -0.052938 -0.030323 0.055226 30O 2pz -0.013957 0.011298 -0.032462 0.013645 0.026157 -0.051964 30O 2px -0.003052 0.029919 0.036015 0.002051 -0.054165 0.015538 30O 2py 0.053404 0.010752 0.032936 -0.044975 -0.057247 0.051305 30O 3pz -0.094019 -0.039457 -0.115483 -0.020386 0.204522 -0.132774 30O 3px 0.114990 0.105377 0.267898 0.150918 -0.432187 0.099927 30O 3py 0.048113 0.149060 0.125727 0.001650 -0.066574 0.189473 30O 1dz2 0.000602 0.000295 -0.001146 0.000369 -0.002286 -0.001165 30O 1dxz 0.001099 0.000649 0.002079 0.001333 -0.002490 0.000186 30O 1dyz 0.000232 0.000625 0.000926 0.002278 -0.001166 -0.000968 30O 1dx2y2 -0.001148 -0.000885 -0.001107 0.000781 0.001846 -0.000315 30O 1dxy -0.000430 -0.001375 -0.001890 -0.001796 0.001031 0.000029 30O 2dz2 -0.003178 -0.003614 -0.005209 -0.000652 0.004858 -0.001843 30O 2dxz -0.014235 -0.003211 -0.000438 -0.000831 0.009360 -0.006341 30O 2dyz -0.004280 -0.002083 -0.007968 0.004210 0.009344 -0.015991 30O 2dx2y2 0.010503 0.001100 -0.001203 0.003668 -0.006423 -0.003160 30O 2dxy 0.019588 0.004691 -0.001435 -0.002226 -0.007976 0.004735 30O 1f0 0.000509 0.000617 0.000559 -0.000023 -0.000802 0.000432 30O 1f+1 -0.000118 0.000254 -0.000152 0.000191 0.000355 0.000091 30O 1f-1 -0.000023 0.000035 0.000175 0.000111 -0.000463 0.000556 30O 1f+2 -0.000460 0.000011 0.000773 -0.000014 -0.000032 0.000656 30O 1f-2 -0.000359 -0.000369 -0.001066 -0.000364 0.001080 -0.000891 30O 1f+3 -0.000246 0.000031 0.000509 0.000368 -0.000212 0.000361 30O 1f-3 -0.000881 0.000053 0.000014 -0.000009 0.000116 0.000183 31O 1s 0.001081 -0.004903 -0.013807 -0.003242 0.008877 -0.007070 31O 2s 0.002320 -0.012125 -0.035271 -0.007644 0.021891 -0.015917 31O 3s 0.005634 0.020769 0.081426 0.008064 -0.036777 0.004361 31O 4s -0.063593 0.027491 -0.040095 0.032518 -0.045492 0.167138 31O 5s -0.214015 0.251364 1.097313 0.183022 -0.837751 -0.247013 31O 1pz 0.009582 -0.013714 0.017082 -0.023980 -0.047972 -0.010240 31O 1px -0.041412 -0.016030 -0.038981 -0.003184 0.033503 -0.025238 31O 1py 0.011548 -0.016402 -0.028976 0.053070 0.060277 0.018939 31O 2pz -0.013809 -0.011222 0.032762 -0.013892 -0.055494 -0.017930 31O 2px -0.006924 -0.030213 -0.036120 -0.002165 0.050641 -0.025873 31O 2py 0.051287 -0.015849 -0.034502 0.045261 0.077385 -0.002706 31O 3pz -0.083356 0.048185 0.119408 0.020965 -0.243099 0.044682 31O 3px 0.097455 -0.116316 -0.267938 -0.151029 0.386586 -0.229505 31O 3py 0.028073 -0.153469 -0.129291 -0.001351 0.185167 0.092475 31O 1dz2 -0.000620 0.000392 -0.001154 0.000369 -0.000865 0.002417 31O 1dxz -0.000963 0.000726 0.002100 0.001337 -0.001930 0.001578 31O 1dyz -0.000187 0.000651 0.000913 0.002278 -0.000203 0.001502 31O 1dx2y2 0.001047 -0.000982 -0.001117 0.000782 0.001570 -0.001054 31O 1dxy 0.000240 -0.001441 -0.001885 -0.001796 0.000767 -0.000728 31O 2dz2 0.002680 -0.003993 -0.005288 -0.000614 0.004870 -0.002008 31O 2dxz 0.013956 -0.004605 -0.000829 -0.000708 0.011730 -0.001883 31O 2dyz 0.003803 -0.002406 -0.008149 0.004206 0.018083 0.004952 31O 2dx2y2 -0.010516 0.002036 -0.000904 0.003649 -0.002660 0.006730 31O 2dxy -0.019316 0.006468 -0.000808 -0.002337 -0.009560 0.002020 31O 1f0 0.000425 -0.000675 -0.000574 0.000025 0.000904 -0.000236 31O 1f+1 -0.000130 -0.000247 0.000161 -0.000191 -0.000182 0.000312 31O 1f-1 -0.000044 -0.000030 -0.000179 -0.000112 0.000718 0.000071 31O 1f+2 -0.000503 0.000046 -0.000773 0.000009 0.000453 0.000451 31O 1f-2 -0.000294 0.000396 0.001067 0.000363 -0.001429 0.000116 31O 1f+3 -0.000262 -0.000012 -0.000496 -0.000369 0.000407 0.000109 31O 1f-3 -0.000899 0.000022 0.000008 0.000005 0.000021 0.000210 32O 1s 0.000511 -0.000654 0.000913 -0.011328 0.005554 0.003240 32O 2s 0.001248 -0.001240 0.002235 -0.026578 0.013624 0.007798 32O 3s -0.001937 -0.003152 -0.003967 0.027072 -0.024092 -0.011060 32O 4s -0.001005 0.033753 0.000637 0.177476 -0.044349 -0.043529 32O 5s -0.029451 -0.096457 -0.053302 -0.054472 -0.078042 0.019943 32O 1pz 0.011004 -0.008479 0.004972 -0.032709 -0.016981 0.015033 32O 1px 0.007301 0.027402 0.020647 0.082787 -0.010238 -0.030586 32O 1py 0.006824 -0.006250 0.030711 0.021744 -0.011728 -0.033297 32O 2pz 0.009977 -0.017016 -0.007389 -0.028601 -0.007676 -0.005993 32O 2px 0.011338 0.025496 0.021992 0.078552 -0.001278 -0.040162 32O 2py 0.007321 -0.001269 0.042820 0.027883 -0.007547 -0.044945 32O 3pz -0.013755 -0.085674 -0.016901 -0.005689 0.029742 -0.098055 32O 3px -0.018830 0.009550 0.006171 0.113118 -0.038015 -0.091092 32O 3py -0.006918 -0.041008 -0.039331 0.009429 -0.016858 0.056887 32O 1dz2 0.000224 0.001388 0.000612 0.000946 -0.000473 0.001406 32O 1dxz -0.000029 -0.000588 -0.000059 0.002300 -0.000952 -0.002850 32O 1dyz 0.000495 0.001421 0.001045 -0.000508 -0.000750 0.002717 32O 1dx2y2 -0.000101 -0.000708 -0.000558 -0.002612 0.001156 0.000552 32O 1dxy -0.000165 0.000725 -0.000706 -0.000589 -0.000136 0.001936 32O 2dz2 -0.000931 -0.000230 -0.001897 0.004820 0.007759 -0.003985 32O 2dxz 0.001569 0.002304 0.004622 0.003909 -0.009196 0.002508 32O 2dyz -0.001437 -0.003303 -0.001800 0.001612 0.007221 -0.008290 32O 2dx2y2 0.000251 0.001717 0.001381 -0.007587 0.000665 0.004444 32O 2dxy -0.000571 -0.002057 -0.003849 0.001362 -0.002213 -0.001385 32O 1f0 -0.000159 -0.000300 -0.000305 0.000319 0.000295 -0.000187 32O 1f+1 0.000045 -0.000082 -0.000003 0.000167 0.000292 -0.000524 32O 1f-1 -0.000204 -0.000250 -0.000172 0.000866 0.000968 -0.000747 32O 1f+2 0.000150 0.000117 0.000297 -0.000527 -0.000445 0.000280 32O 1f-2 0.000139 0.000623 0.000670 0.000442 -0.000711 0.000832 32O 1f+3 -0.000126 -0.000180 -0.000501 -0.000721 0.000480 0.000020 32O 1f-3 -0.000096 -0.000104 -0.000219 0.000556 0.000174 -0.000781 33O 1s -0.001527 0.007829 0.008483 -0.008340 -0.005288 -0.004236 33O 2s -0.003397 0.020351 0.021972 -0.020548 -0.012236 -0.009613 33O 3s -0.002343 -0.051638 -0.056369 0.035614 0.008178 0.003154 33O 4s 0.060189 0.047933 0.052314 0.031056 0.097474 0.102036 33O 5s 0.040476 -0.807554 -0.587432 0.588510 0.006386 0.000944 33O 1pz 0.011064 -0.030165 -0.009628 -0.029972 0.026477 -0.024285 33O 1px 0.030163 0.033942 0.041635 -0.012901 -0.005893 0.024461 33O 1py 0.001334 -0.010848 -0.003634 -0.027728 -0.021425 -0.006250 33O 2pz 0.038649 -0.030645 -0.000367 -0.015819 0.047218 -0.011170 33O 2px 0.011303 0.036059 0.032080 -0.021139 -0.008913 0.009186 33O 2py -0.006736 -0.017407 -0.004124 -0.018381 -0.014683 -0.006611 33O 3pz 0.051212 -0.182204 -0.080031 0.114617 0.003965 0.018876 33O 3px -0.063695 0.202998 0.119928 -0.280340 -0.205433 -0.010374 33O 3py -0.002166 -0.076615 0.008302 -0.055489 -0.108570 0.009715 33O 1dz2 -0.000229 -0.000754 0.000692 -0.001024 0.001585 -0.000810 33O 1dxz 0.000880 -0.001237 -0.001116 0.003363 0.001398 0.001620 33O 1dyz 0.000925 -0.000258 -0.000908 -0.001220 -0.000733 -0.001213 33O 1dx2y2 -0.001053 0.000738 0.000944 -0.001512 -0.001858 0.000042 33O 1dxy -0.001315 -0.001370 -0.000371 0.000745 -0.001139 -0.000208 33O 2dz2 0.000541 -0.003102 -0.002057 -0.001607 0.000864 -0.009025 33O 2dxz -0.012049 0.005629 -0.007280 -0.002247 -0.005659 -0.007688 33O 2dyz -0.005440 -0.006053 -0.004081 -0.000535 -0.000713 -0.007512 33O 2dx2y2 0.010529 -0.003399 -0.000318 0.005294 0.001024 0.005584 33O 2dxy -0.001931 -0.001017 0.001258 0.002602 0.000819 -0.001454 33O 1f0 -0.000223 0.000017 -0.000102 0.000057 0.000043 -0.000494 33O 1f+1 0.000010 0.000797 0.000092 -0.000663 -0.000253 0.000430 33O 1f-1 -0.000059 -0.000608 -0.000613 0.000247 -0.000036 -0.000512 33O 1f+2 0.000271 -0.000517 0.000102 0.000468 0.000544 0.000370 33O 1f-2 0.000244 0.000332 0.000534 -0.000568 -0.000100 0.000030 33O 1f+3 0.000791 0.000057 -0.000237 0.000023 0.000309 0.000396 33O 1f-3 -0.000155 -0.000290 0.000259 -0.000129 0.000032 -0.000075 34O 1s -0.004677 -0.005900 -0.004030 -0.003479 0.012189 -0.007779 34O 2s -0.011204 -0.014836 -0.009343 -0.007917 0.030412 -0.020618 34O 3s 0.014543 0.031557 0.007513 0.002483 -0.059347 0.056812 34O 4s 0.063877 -0.001299 0.077775 0.071156 -0.025525 -0.100879 34O 5s -0.004689 0.229583 -0.123405 0.125829 -0.913978 1.305375 34O 1pz 0.002492 0.009464 -0.011165 -0.018169 0.034601 0.020078 34O 1px 0.015903 0.019321 0.051958 -0.034035 -0.063241 0.011367 34O 1py -0.021319 0.022824 -0.018203 0.028144 0.014149 -0.006210 34O 2pz -0.015905 0.032339 -0.037135 -0.021983 0.020066 0.058013 34O 2px 0.010496 0.017695 0.029615 -0.014311 -0.064718 0.060610 34O 2py 0.003809 0.035052 -0.013461 0.024923 0.030671 -0.044008 34O 3pz 0.068927 -0.121495 0.087307 -0.047521 0.125155 -0.224079 34O 3px 0.160147 0.047416 0.246318 0.180827 -0.400108 0.246917 34O 3py -0.161914 -0.006866 -0.047132 0.009439 -0.021475 0.195063 34O 1dz2 0.000772 0.000778 0.001207 0.001741 -0.000684 0.000884 34O 1dxz 0.000707 0.000616 0.000871 -0.000054 0.000749 0.001326 34O 1dyz -0.000689 -0.000260 -0.000597 0.000905 -0.000080 -0.000070 34O 1dx2y2 -0.001059 -0.000930 -0.001284 -0.001841 0.002905 -0.002221 34O 1dxy 0.000213 0.000835 -0.001001 0.001993 -0.000156 -0.000743 34O 2dz2 -0.006685 -0.002204 0.000125 -0.002813 0.003613 -0.013179 34O 2dxz -0.004015 0.003896 -0.001076 -0.006386 0.002017 0.003764 34O 2dyz 0.002776 -0.000189 -0.004373 0.002948 0.009552 -0.004702 34O 2dx2y2 0.008581 -0.007405 0.002322 0.009408 0.000888 0.005833 34O 2dxy -0.000683 0.005117 -0.000729 0.003000 0.005418 -0.009984 34O 1f0 -0.000109 -0.000438 -0.000175 0.000109 -0.000164 0.000198 34O 1f+1 -0.000392 -0.000384 -0.000288 -0.000334 0.000541 -0.000994 34O 1f-1 -0.000172 0.000006 0.000117 0.000136 -0.000878 0.000577 34O 1f+2 -0.000568 0.000417 -0.000457 0.000051 -0.000309 0.000496 34O 1f-2 -0.000202 -0.000232 -0.000871 0.000068 0.000765 0.000574 34O 1f+3 -0.000155 -0.000035 0.000523 -0.000364 -0.000399 -0.001182 34O 1f-3 -0.000042 -0.000203 0.000492 0.000286 -0.001322 0.001188 35O 1s 0.002006 0.000468 0.002596 -0.007422 -0.011317 0.008794 35O 2s 0.004653 0.000797 0.006503 -0.017684 -0.029146 0.021392 35O 3s -0.002289 0.003891 -0.012657 0.020838 0.069966 -0.032973 35O 4s -0.056324 -0.034854 -0.015713 0.083269 -0.057489 -0.070307 35O 5s 0.039227 0.117253 -0.012399 0.328746 1.122382 -0.359392 35O 1pz -0.031741 -0.015451 -0.013794 -0.028591 0.011376 -0.005379 35O 1px -0.007586 -0.045624 -0.050716 -0.002656 0.022933 -0.024804 35O 1py 0.008824 -0.005272 0.002023 -0.020317 0.022507 -0.028451 35O 2pz -0.034678 -0.018348 0.016004 -0.024270 0.036689 0.022800 35O 2px -0.028119 -0.042125 -0.037091 0.011805 0.050183 -0.026160 35O 2py 0.035652 0.032181 0.009636 -0.012294 0.059251 -0.014954 35O 3pz -0.038824 0.015512 -0.177603 -0.076479 -0.202671 -0.174679 35O 3px -0.030843 -0.079747 -0.175930 0.297308 0.193233 -0.259004 35O 3py -0.146494 -0.166091 -0.063081 0.058433 -0.082904 -0.200426 35O 1dz2 -0.000269 0.000003 -0.001467 0.001392 0.000477 -0.000826 35O 1dxz -0.000547 -0.000872 -0.000845 -0.000690 0.000748 0.001148 35O 1dyz -0.000741 -0.000944 -0.000327 -0.001165 0.000005 0.000175 35O 1dx2y2 0.000101 0.000403 0.000216 -0.002214 -0.001215 0.001622 35O 1dxy 0.000877 0.000258 0.000224 -0.002731 -0.000424 0.002555 35O 2dz2 0.013025 0.002856 0.002052 -0.004192 0.000980 0.004715 35O 2dxz -0.000320 -0.000432 -0.001505 -0.004515 0.002556 0.001626 35O 2dyz -0.002129 -0.006473 -0.000053 -0.002310 0.005998 0.003447 35O 2dx2y2 -0.007365 -0.000911 -0.005699 0.007672 0.003617 -0.007646 35O 2dxy -0.000910 0.000769 -0.002278 0.003152 0.010934 -0.005418 35O 1f0 0.000079 0.000298 -0.000186 -0.000286 -0.000317 0.000098 35O 1f+1 0.000406 -0.000152 -0.000143 -0.000191 -0.000581 0.000202 35O 1f-1 -0.000426 -0.000482 -0.000737 -0.000201 -0.000594 -0.000117 35O 1f+2 0.000333 0.000342 0.000287 0.000110 0.000498 0.000134 35O 1f-2 -0.000200 -0.000801 -0.000606 0.000401 -0.000011 -0.000408 35O 1f+3 0.000446 0.000355 0.000123 -0.000075 0.000072 0.000362 35O 1f-3 -0.000118 -0.000005 0.000521 -0.000615 -0.000888 0.000434 162 163 164 165 166 167 0.26057 0.26247 0.27227 0.27758 0.28978 0.30206 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s 0.000314 -0.001627 -0.000160 0.002142 0.000664 -0.001322 0Rh 2s -0.001763 0.006169 0.000655 -0.008045 -0.002686 0.004556 0Rh 3s 0.000733 -0.005642 -0.000527 0.007480 0.002202 -0.004871 0Rh 4s 0.008010 -0.027217 -0.002911 0.035441 0.011925 -0.019918 0Rh 5s -0.011108 0.022444 0.002733 -0.027830 -0.011074 0.012310 0Rh 6s 0.002110 0.045989 0.003690 -0.066946 -0.017115 0.049925 0Rh 7s -0.309885 0.649555 -0.006023 0.405010 -0.051950 -0.436644 0Rh 8s 2.008228 -1.807034 -0.007610 -1.551202 1.097476 2.513345 0Rh 1pz -0.001400 0.007492 0.000145 0.002489 0.013067 0.000842 0Rh 1px -0.004270 -0.007679 0.000330 -0.000049 0.001004 -0.004027 0Rh 1py -0.004535 -0.004105 -0.000036 -0.004167 0.002545 0.015072 0Rh 2pz 0.004744 -0.025848 -0.000536 -0.008547 -0.045109 -0.002915 0Rh 2px 0.014793 0.026626 -0.001147 0.000066 -0.003506 0.013921 0Rh 2py 0.015654 0.014175 0.000133 0.014300 -0.008745 -0.051975 0Rh 3pz -0.002902 0.025152 0.001261 0.007465 0.044013 0.003093 0Rh 3px -0.015807 -0.028338 0.001261 0.001932 0.004053 -0.013935 0Rh 3py -0.015306 -0.013927 -0.000289 -0.012365 0.007763 0.049205 0Rh 4pz -0.011710 0.024317 -0.002536 0.011949 0.043221 0.001437 0Rh 4px -0.006514 -0.017206 0.000483 -0.008693 0.001532 -0.011232 0Rh 4py -0.014693 -0.013311 0.000496 -0.020004 0.011551 0.056783 0Rh 5pz 0.013269 0.035964 0.008351 0.000064 0.055511 0.007539 0Rh 5px -0.049110 -0.036707 0.003064 0.026554 0.004457 -0.028986 0Rh 5py -0.024085 -0.015783 -0.001554 -0.002394 0.003190 0.046696 0Rh 6pz -0.124943 -0.677243 -0.201284 -0.106198 -1.062884 0.051508 0Rh 6px 0.724594 0.259767 -0.078214 -0.227901 -0.134022 0.321186 0Rh 6py 0.585125 0.159605 0.037881 0.183960 -0.225944 -1.014615 0Rh 1dz2 -0.008435 0.015230 0.019002 0.003649 0.007167 -0.003615 0Rh 1dxz -0.005283 -0.005604 0.007661 -0.010726 -0.008520 -0.006199 0Rh 1dyz -0.012558 0.000198 -0.013584 -0.012747 0.006004 -0.006054 0Rh 1dx2y2 0.004679 -0.011356 0.011986 -0.006025 -0.000619 0.002536 0Rh 1dxy 0.011729 -0.001760 -0.000215 -0.012980 0.011594 0.001592 0Rh 2dz2 0.000101 -0.000957 -0.001234 0.000793 -0.000351 0.000023 0Rh 2dxz 0.000113 0.000206 -0.000964 0.000425 0.000023 -0.000213 0Rh 2dyz 0.000109 -0.000057 0.001271 0.000853 -0.000486 0.000526 0Rh 2dx2y2 -0.000173 0.000743 -0.001042 -0.000158 -0.000081 0.000785 0Rh 2dxy 0.000174 0.000235 0.000117 0.000469 -0.000524 0.000344 0Rh 3dz2 0.014597 -0.023293 -0.029101 -0.009880 -0.011328 0.006434 0Rh 3dxz 0.009022 0.009187 -0.009857 0.017393 0.015204 0.012120 0Rh 3dyz 0.021856 -0.000041 0.019077 0.019149 -0.008648 0.008666 0Rh 3dx2y2 -0.007697 0.017256 -0.017296 0.011579 0.001425 -0.007898 0Rh 3dxy -0.021716 0.002221 -0.000135 0.021396 -0.018684 -0.004460 0Rh 4dz2 0.012805 -0.032633 -0.040685 0.006309 -0.015066 0.004509 0Rh 4dxz 0.008086 0.010140 -0.022137 0.021013 0.012199 0.004745 0Rh 4dyz 0.019279 -0.001658 0.035853 0.030455 -0.015657 0.015559 0Rh 4dx2y2 -0.007602 0.024274 -0.028854 0.005072 -0.000126 0.008227 0Rh 4dxy -0.013752 0.004860 0.002305 0.023472 -0.022973 0.004058 0Rh 5dz2 0.035048 -0.010978 -0.014698 -0.069338 0.007548 0.029802 0Rh 5dxz 0.034902 0.007947 0.020658 -0.006123 0.024672 0.047511 0Rh 5dyz 0.035786 0.008447 -0.043621 -0.018167 0.015783 -0.003960 0Rh 5dx2y2 -0.039213 0.015322 0.003426 0.051537 -0.003326 -0.077615 0Rh 5dxy -0.057547 0.000419 -0.015796 0.031634 -0.011976 -0.056297 0Rh 1f0 -0.001660 -0.001242 0.003326 0.001675 0.002073 0.002961 0Rh 1f+1 -0.000437 0.000499 -0.002816 0.002853 0.008205 0.001600 0Rh 1f-1 -0.001229 0.001056 -0.001347 -0.000221 0.005758 0.006071 0Rh 1f+2 0.004490 -0.003153 -0.001932 -0.002958 -0.007419 0.001965 0Rh 1f-2 -0.001407 0.001424 0.001201 -0.004849 -0.000536 0.007861 0Rh 1f+3 0.004051 0.000959 0.004121 0.001720 0.004763 -0.003947 0Rh 1f-3 -0.003176 -0.000664 0.001322 -0.000282 0.001495 0.010168 1Rh 1s -0.000163 -0.001634 -0.000143 -0.002142 -0.000674 0.001293 1Rh 2s 0.001187 0.006247 0.000575 0.008048 0.002720 -0.004460 1Rh 3s -0.000208 -0.005639 -0.000473 -0.007478 -0.002234 0.004763 1Rh 4s -0.005471 -0.027583 -0.002553 -0.035453 -0.012077 0.019498 1Rh 5s 0.009013 0.023129 0.002339 0.027860 0.011198 -0.012075 1Rh 6s -0.006414 0.045289 0.003412 0.066899 0.017371 -0.048766 1Rh 7s 0.249998 0.677900 -0.011752 -0.419928 0.050638 0.434776 1Rh 8s -1.835242 -2.009487 0.044387 1.587419 -1.096832 -2.520962 1Rh 1pz -0.000672 -0.007692 -0.000255 0.002583 0.012952 0.000980 1Rh 1px -0.004978 0.007249 -0.000217 -0.000115 0.001012 -0.003978 1Rh 1py -0.004890 0.003541 -0.000031 -0.004317 0.002581 0.015002 1Rh 2pz 0.002235 0.026526 0.000920 -0.008870 -0.044711 -0.003395 1Rh 2px 0.017245 -0.025139 0.000756 0.000299 -0.003527 0.013748 1Rh 2py 0.016880 -0.012228 0.000097 0.014822 -0.008870 -0.051729 1Rh 3pz -0.000509 -0.025598 -0.001670 0.007756 0.043612 0.003625 1Rh 3px -0.018373 0.026785 -0.000896 0.001666 0.003998 -0.013721 1Rh 3py -0.016513 0.012029 0.000105 -0.012913 0.007868 0.048924 1Rh 4pz -0.009176 -0.025842 0.002315 0.012340 0.042892 0.001653 1Rh 4px -0.008284 0.016407 -0.000085 -0.008771 0.001857 -0.011233 1Rh 4py -0.015838 0.011454 -0.000887 -0.020333 0.011737 0.056716 1Rh 5pz 0.016492 -0.034551 -0.009185 0.000360 0.054854 0.008611 1Rh 5px -0.051977 0.032191 -0.002340 0.026048 0.003723 -0.028487 1Rh 5py -0.025374 0.012947 0.001685 -0.003585 0.003211 0.045933 1Rh 6pz -0.189575 0.664375 0.217459 -0.111945 -1.046575 0.017717 1Rh 6px 0.744250 -0.196698 0.066145 -0.225234 -0.127750 0.308110 1Rh 6py 0.593536 -0.091247 -0.031217 0.201029 -0.226659 -1.001181 1Rh 1dz2 0.007082 0.015976 0.018858 -0.003797 -0.006916 0.003397 1Rh 1dxz 0.005960 -0.004830 0.007621 0.010733 0.008392 0.006906 1Rh 1dyz 0.012159 0.001650 -0.013629 0.012950 -0.006110 0.006177 1Rh 1dx2y2 -0.003468 -0.011575 0.012147 0.006029 0.000559 -0.002238 1Rh 1dxy -0.011407 -0.002843 0.000134 0.012959 -0.011565 -0.001718 1Rh 2dz2 -0.000015 -0.000968 -0.001240 -0.000788 0.000330 -0.000037 1Rh 2dxz -0.000144 0.000193 -0.000977 -0.000427 -0.000031 0.000194 1Rh 2dyz -0.000073 -0.000084 0.001280 -0.000874 0.000499 -0.000531 1Rh 2dx2y2 0.000095 0.000752 -0.001052 0.000165 0.000087 -0.000797 1Rh 2dxy -0.000196 0.000211 0.000104 -0.000469 0.000518 -0.000342 1Rh 3dz2 -0.012535 -0.024578 -0.028819 0.010126 0.010962 -0.005983 1Rh 3dxz -0.010104 0.007853 -0.009731 -0.017397 -0.014938 -0.013318 1Rh 3dyz -0.021301 -0.002509 0.019123 -0.019423 0.008784 -0.008865 1Rh 3dx2y2 0.005854 0.017617 -0.017543 -0.011617 -0.001341 0.007405 1Rh 3dxy 0.021226 0.004259 -0.000710 -0.021360 0.018655 0.004679 1Rh 4dz2 -0.009869 -0.033795 -0.040570 -0.006081 0.014462 -0.004398 1Rh 4dxz -0.009391 0.008978 -0.022247 -0.021062 -0.012137 -0.005950 1Rh 4dyz -0.018155 -0.004083 0.036015 -0.031052 0.015978 -0.015840 1Rh 4dx2y2 0.005036 0.024589 -0.029188 -0.004972 0.000289 -0.008778 1Rh 4dxy 0.013102 0.006022 0.001671 -0.023466 0.022871 -0.003878 1Rh 5dz2 -0.034352 -0.013923 -0.013692 0.070384 -0.007359 -0.028013 1Rh 5dxz -0.035484 0.003571 0.021793 0.006516 -0.023587 -0.048995 1Rh 5dyz -0.037701 0.005188 -0.043896 0.019490 -0.016288 0.004474 1Rh 5dx2y2 0.037332 0.018610 0.002805 -0.052359 0.003125 0.077088 1Rh 5dxy 0.056672 0.006253 -0.016624 -0.031100 0.011948 0.056992 1Rh 1f0 -0.001811 0.001085 -0.003317 0.001650 0.002045 0.002922 1Rh 1f+1 -0.000344 -0.000573 0.002770 0.002820 0.008247 0.001763 1Rh 1f-1 -0.001094 -0.001226 0.001274 -0.000244 0.005743 0.006160 1Rh 1f+2 0.004170 0.003623 0.001924 -0.003017 -0.007347 0.001779 1Rh 1f-2 -0.001195 -0.001624 -0.001253 -0.004851 -0.000560 0.007756 1Rh 1f+3 0.004081 -0.000530 -0.004187 0.001696 0.004677 -0.003870 1Rh 1f-3 -0.003232 0.000305 -0.001365 -0.000219 0.001495 0.010171 2C 1s 0.001711 0.008720 -0.001387 -0.001000 -0.004807 0.002311 2C 2s 0.003851 0.019026 -0.003077 -0.002145 -0.009732 0.005485 2C 3s -0.016837 -0.017478 0.007271 0.010458 -0.005938 -0.018323 2C 4s 0.052778 -0.203899 0.020396 -0.034117 0.200819 0.012370 2C 5s -0.748197 1.190245 -0.987668 -0.139375 0.065135 1.305259 2C 1pz -0.009341 -0.047347 -0.012658 0.034258 0.033897 -0.010102 2C 1px -0.004342 0.020209 -0.014069 -0.024858 0.015739 0.010075 2C 1py -0.017767 -0.021905 0.047330 -0.014327 0.011554 0.011918 2C 2pz 0.034496 -0.004602 -0.024286 0.006718 -0.010528 0.037031 2C 2px -0.033369 0.020014 0.001668 -0.042168 0.043247 0.010234 2C 2py 0.010842 -0.000283 0.012439 -0.060616 0.022110 0.016513 2C 3pz -0.661150 0.600956 0.194950 -0.461132 0.138698 0.422851 2C 3px 0.430717 -1.386616 0.383444 1.359154 0.252845 1.255795 2C 3py 0.277820 0.169117 -0.822343 0.389004 0.229230 0.025462 2C 1dz2 0.005366 -0.002788 -0.000241 0.003196 -0.001002 0.003151 2C 1dxz -0.011290 -0.006800 0.003861 -0.000532 0.004305 -0.003703 2C 1dyz 0.002303 0.004969 -0.000672 -0.006536 -0.003090 -0.000895 2C 1dx2y2 -0.000025 0.011134 0.000082 -0.007483 -0.002303 -0.002269 2C 1dxy -0.002636 0.001093 -0.007489 -0.002787 0.002304 -0.008250 2C 2dz2 0.026848 0.013378 -0.024329 0.010305 -0.028199 -0.003448 2C 2dxz 0.024378 0.075767 -0.048815 -0.060875 0.010219 -0.033469 2C 2dyz 0.018117 0.002209 0.010726 0.002555 -0.031237 0.015448 2C 2dx2y2 -0.005625 -0.056169 -0.006433 0.036927 0.028732 -0.012323 2C 2dxy -0.012414 0.014097 0.031706 -0.039338 -0.002232 0.006803 2C 1f0 0.001765 -0.005073 -0.004176 0.005839 0.001863 -0.002083 2C 1f+1 -0.001255 0.000362 0.003765 -0.001031 -0.000479 0.001465 2C 1f-1 0.003034 0.003975 0.000240 -0.003740 -0.002763 0.000502 2C 1f+2 0.000736 0.005461 -0.001193 -0.003534 -0.000624 -0.001750 2C 1f-2 0.002111 0.001138 -0.003714 -0.003284 0.003777 -0.001399 2C 1f+3 0.002310 0.003149 -0.004540 -0.000848 -0.000979 -0.003204 2C 1f-3 -0.001820 -0.003985 0.003054 0.004090 -0.001085 0.001497 3C 1s -0.004515 0.002222 0.000872 -0.001612 -0.000442 0.000875 3C 2s -0.008954 0.004660 0.001898 -0.003173 -0.000149 0.002234 3C 3s -0.009669 0.000849 -0.008942 0.000391 -0.015536 -0.015859 3C 4s 0.204075 -0.062525 0.008818 0.043306 0.098482 0.069782 3C 5s -0.661937 0.040934 1.065401 0.270637 -0.175294 -1.522693 3C 1pz -0.008824 0.007689 -0.048132 0.013587 0.010882 -0.007714 3C 1px 0.003069 0.021718 -0.015905 -0.002969 -0.004760 0.015239 3C 1py -0.031059 -0.023353 -0.014044 -0.005959 -0.001790 0.046777 3C 2pz -0.032539 0.017738 0.001394 -0.026737 -0.014062 -0.024108 3C 2px 0.005859 0.042998 -0.013106 0.049406 -0.041350 0.030938 3C 2py 0.009182 -0.016074 -0.024684 0.018403 -0.010817 0.040763 3C 3pz -0.229292 0.666694 0.796872 0.005016 -0.743088 -0.138973 3C 3px 0.831399 -0.691662 0.341271 -0.485684 1.232722 -0.733318 3C 3py 0.163410 -0.159140 0.309350 -0.431211 -0.193342 0.228923 3C 1dz2 0.000575 -0.002413 -0.004593 -0.001023 0.005487 0.001572 3C 1dxz 0.002116 -0.003869 0.001800 0.005120 -0.001607 -0.004838 3C 1dyz 0.001965 -0.000540 -0.005037 0.006215 0.001354 -0.004621 3C 1dx2y2 -0.003394 0.006912 0.003338 0.002478 -0.007618 0.001459 3C 1dxy 0.003954 -0.000497 0.003485 -0.007631 0.007105 0.000378 3C 2dz2 0.005473 -0.004140 0.002615 -0.005225 0.009643 -0.008436 3C 2dxz -0.024045 0.020072 -0.009636 -0.006389 -0.016411 0.048045 3C 2dyz 0.023035 0.039794 0.034224 0.000124 -0.032378 -0.020204 3C 2dx2y2 0.014233 -0.002044 -0.051217 0.032961 0.017862 0.001071 3C 2dxy 0.003829 -0.017634 -0.025428 -0.000473 0.036734 -0.030267 3C 1f0 0.000497 -0.002040 -0.006107 0.002913 0.004028 -0.000770 3C 1f+1 0.001148 -0.002942 -0.001898 0.002584 0.002800 -0.002028 3C 1f-1 0.003726 0.001509 0.004668 -0.000261 -0.002486 -0.002534 3C 1f+2 -0.001083 0.000819 -0.000858 0.001538 -0.001585 -0.000997 3C 1f-2 -0.002151 0.001292 -0.000531 -0.001938 -0.001074 -0.000636 3C 1f+3 -0.001701 0.000288 -0.003946 0.000088 0.000310 0.005323 3C 1f-3 0.000587 0.003444 0.001252 -0.000965 -0.002204 0.002330 4C 1s 0.004133 -0.015346 0.005692 -0.003927 -0.000876 -0.009788 4C 2s 0.007741 -0.035758 0.012707 -0.007645 0.000097 -0.020292 4C 3s 0.044575 0.059130 -0.000312 -0.024480 -0.064762 -0.009660 4C 4s -0.499522 0.137888 -0.210956 0.383587 0.500908 0.506191 4C 5s 0.863691 1.423084 0.212125 -0.263588 -1.401099 -1.472761 4C 1pz -0.036657 0.035630 0.029963 0.010861 -0.013747 0.050267 4C 1px -0.011159 0.030677 0.021764 -0.030524 0.025487 0.004465 4C 1py 0.000535 0.014301 -0.066568 0.038188 0.063623 -0.025118 4C 2pz 0.054835 0.167315 0.025048 0.026649 -0.036953 0.203112 4C 2px -0.372141 0.032452 0.018798 -0.176342 -0.005314 -0.157217 4C 2py -0.053454 0.073164 -0.170889 0.067313 0.138199 -0.134102 4C 3pz 0.392741 0.939939 -0.882581 0.481195 0.398968 1.170045 4C 3px -2.201152 0.562421 -0.612725 -1.149493 0.261306 -1.999024 4C 3py -0.930054 0.730891 0.134978 -0.459275 -0.075890 0.653714 4C 1dz2 -0.002071 0.000034 -0.003192 -0.002092 0.002696 -0.001765 4C 1dxz 0.006661 0.010961 -0.002975 -0.001926 -0.009469 0.004264 4C 1dyz -0.003559 -0.009735 0.002590 0.002053 0.006954 0.002010 4C 1dx2y2 -0.002286 -0.011912 0.000199 0.003478 0.005748 -0.000103 4C 1dxy 0.001058 -0.008019 0.002241 0.002431 -0.000009 0.004573 4C 2dz2 0.037270 -0.017254 0.008883 0.041812 0.017715 0.027348 4C 2dxz -0.096769 -0.046968 0.023291 -0.031842 0.012903 -0.039417 4C 2dyz -0.042274 -0.016725 0.001317 0.033094 0.040221 -0.016213 4C 2dx2y2 0.004097 0.040347 -0.013824 -0.024677 -0.007690 0.016392 4C 2dxy -0.072923 -0.017919 -0.025758 -0.023099 0.027507 -0.040101 4C 1f0 0.002934 0.003425 0.000951 -0.004504 -0.002848 0.002094 4C 1f+1 0.000811 -0.002922 -0.001340 -0.001106 -0.002155 -0.002555 4C 1f-1 0.004172 0.000620 -0.000430 0.001054 -0.000505 0.003994 4C 1f+2 -0.000945 -0.001243 -0.000184 0.005381 0.002106 0.002308 4C 1f-2 -0.006375 -0.003228 0.003623 -0.000674 -0.000057 -0.000657 4C 1f+3 0.000122 -0.001814 -0.002288 0.002908 0.001685 0.000832 4C 1f-3 0.006222 0.001822 0.005133 -0.001058 -0.003188 -0.000501 5C 1s -0.002049 0.005248 -0.006117 -0.002506 -0.007534 0.001373 5C 2s -0.003288 0.011160 -0.013709 -0.004589 -0.015400 0.001179 5C 3s -0.042166 -0.020179 0.005662 -0.022793 -0.015184 0.065088 5C 4s 0.399549 -0.106734 0.191186 0.288246 0.446482 -0.528528 5C 5s -0.427373 0.649900 -0.263868 -0.606144 -0.594925 1.833390 5C 1pz 0.042150 -0.004736 0.065984 -0.027301 -0.010469 -0.074941 5C 1px 0.038827 0.027851 0.014907 0.041058 -0.013073 -0.003184 5C 1py 0.017560 -0.007608 0.034755 -0.022047 -0.046022 -0.009502 5C 2pz 0.180888 -0.003481 0.171796 -0.154143 -0.001869 -0.171090 5C 2px -0.118753 0.066953 0.024760 0.361284 -0.172354 -0.063563 5C 2py -0.001126 -0.007072 0.020683 0.025182 -0.145791 -0.092549 5C 3pz 0.106222 -0.098964 -0.122904 -0.180040 1.109759 0.073695 5C 3px -1.398362 0.740176 -0.108167 1.890857 -2.029413 -0.465116 5C 3py -0.316888 -0.372764 -1.098844 0.217072 -0.262572 0.970618 5C 1dz2 -0.002043 -0.000528 -0.000445 0.000660 -0.003690 0.001915 5C 1dxz -0.003607 0.000301 0.000242 -0.003980 0.002216 0.002829 5C 1dyz -0.005939 0.000557 0.003930 -0.005414 0.000033 0.008228 5C 1dx2y2 0.004405 -0.002777 -0.004699 -0.001709 0.006162 -0.001901 5C 1dxy 0.001465 0.002526 -0.001092 0.004775 -0.005311 -0.000313 5C 2dz2 -0.007635 -0.015062 -0.013584 -0.026433 0.016228 0.006218 5C 2dxz 0.000406 -0.013792 -0.003667 0.056682 -0.020772 -0.022780 5C 2dyz -0.050677 -0.015318 -0.009294 0.016677 -0.025281 0.041361 5C 2dx2y2 -0.029660 0.022074 0.024228 0.041229 -0.039769 -0.007997 5C 2dxy 0.007910 0.001150 0.017981 -0.084553 0.030534 0.009766 5C 1f0 -0.002149 0.001384 -0.001735 0.001951 -0.002334 0.001917 5C 1f+1 -0.002743 -0.000246 -0.004751 -0.003404 -0.002577 0.002582 5C 1f-1 -0.001706 -0.000284 -0.002503 0.003512 0.000176 0.001453 5C 1f+2 0.000318 0.000808 0.002583 -0.000167 -0.001992 -0.003189 5C 1f-2 0.004604 0.001787 0.000794 -0.005624 0.003285 -0.001025 5C 1f+3 -0.002770 -0.002591 0.000607 -0.001986 -0.001375 -0.000187 5C 1f-3 0.003099 -0.000667 -0.002020 0.004353 0.000463 -0.004975 6C 1s 0.001277 0.005286 -0.006231 0.002698 0.007545 -0.001605 6C 2s 0.001620 0.011104 -0.013953 0.005036 0.015433 -0.001707 6C 3s 0.043388 -0.014569 0.005999 0.022308 0.014217 -0.062862 6C 4s -0.374521 -0.149507 0.194017 -0.291801 -0.439293 0.521503 6C 5s 0.364554 0.683900 -0.257595 0.595577 0.588142 -1.836063 6C 1pz 0.040430 0.008759 -0.066338 -0.027379 -0.011375 -0.075119 6C 1px 0.040974 -0.023429 -0.015369 0.041939 -0.013648 -0.003126 6C 1py 0.016636 0.009372 -0.034747 -0.022557 -0.046495 -0.008977 6C 2pz 0.175549 0.021112 -0.175420 -0.154092 -0.003821 -0.170448 6C 2px -0.112143 -0.073550 -0.019087 0.364192 -0.173212 -0.063289 6C 2py 0.000458 0.007819 -0.019628 0.023662 -0.145747 -0.093022 6C 3pz 0.084155 0.091328 0.115874 -0.172659 1.108552 0.098662 6C 3px -1.332894 -0.858813 0.160817 1.924402 -2.034108 -0.505509 6C 3py -0.314268 0.355209 1.107717 0.186823 -0.248890 0.958496 6C 1dz2 0.002154 -0.000212 -0.000443 -0.000774 0.003663 -0.001740 6C 1dxz 0.003633 0.000771 0.000257 0.003971 -0.002221 -0.002826 6C 1dyz 0.005986 0.001302 0.003976 0.005288 -0.000123 -0.008052 6C 1dx2y2 -0.004226 -0.003309 -0.004653 0.001939 -0.006163 0.001626 6C 1dxy -0.001750 0.002293 -0.001138 -0.004861 0.005316 0.000459 6C 2dz2 0.008411 -0.013808 -0.012787 0.026912 -0.017172 -0.004753 6C 2dxz -0.000272 -0.013991 -0.003942 -0.056175 0.020614 0.023816 6C 2dyz 0.050925 -0.009390 -0.009744 -0.016665 0.024716 -0.040017 6C 2dx2y2 0.028840 0.024231 0.023241 -0.042321 0.040135 0.005754 6C 2dxy -0.007061 0.002235 0.019624 0.084776 -0.030215 -0.009684 6C 1f0 -0.001919 -0.001573 0.001777 0.001936 -0.002311 0.001873 6C 1f+1 -0.002627 -0.000114 0.004781 -0.003419 -0.002490 0.002370 6C 1f-1 -0.001686 0.000143 0.002577 0.003511 0.000209 0.001469 6C 1f+2 0.000355 -0.000754 -0.002535 -0.000170 -0.002007 -0.003263 6C 1f-2 0.004621 -0.001332 -0.000898 -0.005614 0.003201 -0.000907 6C 1f+3 -0.002894 0.002171 -0.000650 -0.002026 -0.001314 -0.000463 6C 1f-3 0.002959 0.001095 0.002076 0.004340 0.000417 -0.004786 7C 1s -0.002307 -0.015721 0.005940 0.003769 0.000796 0.009919 7C 2s -0.003530 -0.036438 0.013257 0.007310 -0.000286 0.020618 7C 3s -0.050023 0.054059 -0.000851 0.023817 0.065457 0.006643 7C 4s 0.471057 0.190426 -0.218296 -0.371977 -0.502616 -0.489479 7C 5s -1.005320 1.318227 0.203639 0.232704 1.402052 1.463025 7C 1pz -0.033638 -0.038592 -0.029363 0.011209 -0.014091 0.049826 7C 1px -0.008199 -0.032006 -0.021976 -0.030129 0.025029 0.004500 7C 1py 0.003070 -0.014932 0.066260 0.037548 0.063787 -0.025314 7C 2pz 0.073103 -0.159488 -0.025985 0.025955 -0.038163 0.202918 7C 2px -0.367364 -0.071844 -0.014180 -0.176422 -0.005215 -0.158695 7C 2py -0.041248 -0.081039 0.170976 0.064851 0.138256 -0.134629 7C 3pz 0.497579 -0.897729 0.880605 0.466363 0.408197 1.163034 7C 3px -2.117347 -0.798863 0.652119 -1.155450 0.270245 -2.060383 7C 3py -0.845710 -0.839653 -0.117536 -0.471732 -0.080619 0.622547 7C 1dz2 0.002059 0.000229 -0.003216 0.002129 -0.002727 0.001842 7C 1dxz -0.007814 0.010191 -0.003001 0.001895 0.009502 -0.004497 7C 1dyz 0.004548 -0.009272 0.002652 -0.001975 -0.006970 -0.001805 7C 1dx2y2 0.003498 -0.011726 0.000291 -0.003532 -0.005853 0.000176 7C 1dxy -0.000263 -0.008116 0.002345 -0.002380 -0.000037 -0.004526 7C 2dz2 -0.034949 -0.021654 0.009486 -0.041966 -0.017738 -0.027327 7C 2dxz 0.102746 -0.036812 0.022393 0.031512 -0.012810 0.038358 7C 2dyz 0.043833 -0.012526 0.001850 -0.032897 -0.040370 0.017849 7C 2dx2y2 -0.009495 0.040402 -0.013551 0.025294 0.007447 -0.015525 7C 2dxy 0.074041 -0.009685 -0.026448 0.024263 -0.027921 0.041126 7C 1f0 0.003229 -0.003081 -0.001013 -0.004426 -0.002903 0.002211 7C 1f+1 0.000366 0.002976 0.001355 -0.001066 -0.002146 -0.002354 7C 1f-1 0.004282 -0.000192 0.000427 0.001024 -0.000509 0.004071 7C 1f+2 -0.000989 0.001151 0.000201 0.005312 0.002166 0.002025 7C 1f-2 -0.006772 0.002608 -0.003546 -0.000630 -0.000061 -0.000645 7C 1f+3 -0.000034 0.001896 0.002238 0.002941 0.001700 0.000782 7C 1f-3 0.006214 -0.001107 -0.005194 -0.000954 -0.003274 -0.000379 8C 1s 0.004364 0.002826 0.000878 0.001502 0.000368 -0.000620 8C 2s 0.008638 0.005861 0.001927 0.002934 -0.000019 -0.001708 8C 3s 0.009620 0.001993 -0.009302 -0.000222 0.015722 0.016470 8C 4s -0.200405 -0.089888 0.010644 -0.040254 -0.096932 -0.083398 8C 5s 0.705009 0.148918 1.050367 -0.310197 0.189127 1.546726 8C 1pz -0.007124 -0.008436 0.048804 0.013247 0.011002 -0.007031 8C 1px 0.005394 -0.020499 0.016159 -0.002916 -0.004697 0.015172 8C 1py -0.033194 0.019468 0.014231 -0.005555 -0.001256 0.045856 8C 2pz -0.030990 -0.021713 0.000198 -0.026320 -0.014341 -0.022975 8C 2px 0.010445 -0.040765 0.013851 0.050086 -0.040939 0.030022 8C 2py 0.008320 0.017280 0.025412 0.018577 -0.010524 0.039363 8C 3pz -0.179127 -0.681954 -0.796125 0.028841 -0.747430 -0.159901 8C 3px 0.766848 0.756891 -0.364705 -0.500439 1.236650 -0.720336 8C 3py 0.153822 0.179657 -0.318821 -0.438997 -0.189225 0.223203 8C 1dz2 -0.000458 -0.002489 -0.004563 0.001091 -0.005556 -0.001599 8C 1dxz -0.001810 -0.003981 0.001919 -0.005037 0.001680 0.004947 8C 1dyz -0.002036 -0.000796 -0.005005 -0.006168 -0.001376 0.004688 8C 1dx2y2 0.002793 0.007160 0.003184 -0.002666 0.007641 -0.001294 8C 1dxy -0.003844 -0.000720 0.003734 0.007727 -0.007063 -0.000489 8C 2dz2 -0.004740 -0.004203 0.002572 0.005557 -0.009490 0.007922 8C 2dxz 0.022750 0.022062 -0.010597 0.005312 0.016036 -0.048121 8C 2dyz -0.025833 0.036463 0.033695 -0.000979 0.033044 0.019835 8C 2dx2y2 -0.015100 -0.004028 -0.051098 -0.032459 -0.017717 -0.001515 8C 2dxy -0.002706 -0.018097 -0.025829 0.001333 -0.037093 0.029626 8C 1f0 0.000412 0.002145 0.006124 0.002879 0.004070 -0.000695 8C 1f+1 0.000891 0.002973 0.001784 0.002470 0.002747 -0.002011 8C 1f-1 0.003809 -0.001106 -0.004715 -0.000257 -0.002573 -0.002483 8C 1f+2 -0.001003 -0.000971 0.000788 0.001581 -0.001600 -0.001167 8C 1f-2 -0.002117 -0.001501 0.000645 -0.001884 -0.001048 -0.000709 8C 1f+3 -0.001660 -0.000401 0.003994 0.000168 0.000359 0.005340 8C 1f-3 0.000807 -0.003310 -0.001142 -0.000888 -0.002231 0.002441 9C 1s -0.002530 0.008475 -0.001510 0.000881 0.004843 -0.002443 9C 2s -0.005659 0.018465 -0.003322 0.001872 0.009803 -0.005801 9C 3s 0.019175 -0.015356 0.006486 -0.010138 0.006012 0.019554 9C 4s -0.037811 -0.208688 0.029447 0.036384 -0.202434 -0.014437 9C 5s 0.615973 1.282922 -1.016712 0.176975 -0.064940 -1.269349 9C 1pz -0.014383 0.046347 0.012307 0.034262 0.034293 -0.011414 9C 1px -0.001487 -0.020354 0.014209 -0.024542 0.015752 0.009379 9C 1py -0.021104 0.020071 -0.047965 -0.013658 0.011622 0.011469 9C 2pz 0.034497 0.007603 0.023736 0.005635 -0.010192 0.036289 9C 2px -0.030570 -0.023426 -0.000443 -0.040647 0.042769 0.009283 9C 2py 0.010552 0.001419 -0.014710 -0.059759 0.021656 0.017594 9C 3pz -0.587782 -0.685790 -0.189519 -0.469328 0.124678 0.399658 9C 3px 0.262146 1.430330 -0.405090 1.354461 0.255403 1.282074 9C 3py 0.286051 -0.118387 0.823938 0.393633 0.252096 0.041592 9C 1dz2 -0.005099 -0.003262 -0.000210 -0.003118 0.001016 -0.003205 9C 1dxz 0.011985 -0.005637 0.003749 0.000447 -0.004303 0.003923 9C 1dyz -0.002882 0.004675 -0.000514 0.006592 0.003122 0.000841 9C 1dx2y2 -0.001159 0.011116 0.000318 0.007450 0.002407 0.002238 9C 1dxy 0.002455 0.001584 -0.007570 0.003056 -0.002365 0.008326 9C 2dz2 -0.028104 0.009897 -0.024341 -0.010454 0.028012 0.002095 9C 2dxz -0.033368 0.073558 -0.048445 0.061790 -0.010037 0.033236 9C 2dyz -0.018814 0.000737 0.009376 -0.002803 0.031374 -0.016418 9C 2dx2y2 0.011599 -0.056210 -0.007543 -0.037872 -0.029715 0.012962 9C 2dxy 0.010949 0.015129 0.031306 0.038564 0.002330 -0.006064 9C 1f0 0.001256 0.005299 0.004274 0.005835 0.001987 -0.002045 9C 1f+1 -0.001293 -0.000336 -0.003675 -0.000826 -0.000440 0.001434 9C 1f-1 0.003466 -0.003615 -0.000405 -0.003697 -0.002840 0.000634 9C 1f+2 0.001233 -0.005356 0.001090 -0.003473 -0.000744 -0.001765 9C 1f-2 0.002362 -0.001069 0.003568 -0.003448 0.003739 -0.001351 9C 1f+3 0.002718 -0.002999 0.004703 -0.000976 -0.000918 -0.003139 9C 1f-3 -0.002246 0.003705 -0.002807 0.004173 -0.001153 0.001383 10H 1s 0.029696 0.034629 -0.001404 -0.007614 -0.021333 0.015984 10H 2s 0.192251 0.476784 -0.068820 -0.290992 -0.176977 -0.006614 10H 3s -0.241191 0.606344 0.018643 -0.499555 0.041602 -0.600209 10H 1pz -0.005489 0.017778 0.000796 -0.016733 -0.000884 -0.003978 10H 1px -0.013893 -0.022628 0.007130 0.013507 0.011037 -0.002380 10H 1py 0.001299 0.007726 -0.012371 -0.005292 0.003105 -0.008802 11H 1s -0.019654 -0.012154 0.016922 0.009011 0.010778 0.008393 11H 2s -0.175554 -0.165163 0.334973 0.110117 -0.004728 0.171700 11H 3s -0.065731 -0.569962 0.187784 0.316911 0.389369 0.370484 11H 1pz -0.004880 0.003439 0.020322 -0.003221 -0.010543 0.009373 11H 1px -0.008106 -0.018178 0.014320 0.012749 -0.001968 0.005701 11H 1py 0.006691 -0.003705 -0.006530 0.005333 0.002547 0.003337 12H 1s -0.009494 -0.009244 -0.013143 0.004618 0.012028 -0.008295 12H 2s 0.039919 -0.172526 -0.222852 0.199984 0.114748 -0.121993 12H 3s 0.207618 -0.437008 0.066810 0.407319 0.161477 0.315796 12H 1pz 0.005965 -0.001023 0.001436 0.006776 0.000548 0.005841 12H 1px -0.002358 -0.019875 0.000625 0.017395 0.004704 0.002333 12H 1py 0.004910 -0.000951 -0.019613 0.008450 0.002142 -0.013857 13H 1s -0.006760 0.012255 0.005858 -0.030627 0.012111 0.015134 13H 2s -0.130189 0.210317 0.080084 -0.236002 -0.089869 0.212235 13H 3s -0.248634 0.599578 -0.136343 0.375958 -0.519535 0.310102 13H 1pz -0.004432 0.010763 0.014436 -0.010458 -0.012032 0.004697 13H 1px 0.005256 -0.001022 -0.000878 0.013402 -0.001695 -0.010663 13H 1py 0.005470 -0.007901 0.004024 -0.003125 0.009985 -0.002092 14H 1s -0.000028 0.009808 0.010477 0.015527 -0.015085 -0.007857 14H 2s 0.084761 0.012425 0.208891 0.057364 -0.084032 -0.159417 14H 3s 0.360136 -0.086200 -0.016576 -0.220304 0.531251 -0.048917 14H 1pz -0.001891 0.007360 0.016308 -0.003391 -0.011236 -0.003782 14H 1px 0.005337 -0.006848 0.009860 0.004647 -0.001830 -0.014171 14H 1py -0.007387 0.002916 0.000754 0.005888 -0.012234 0.005032 15H 1s 0.005797 -0.003927 -0.019142 0.013605 0.011429 -0.014272 15H 2s -0.006994 -0.128203 -0.355092 0.147280 0.214736 -0.016080 15H 3s 0.457667 -0.118312 -0.159075 0.054976 0.425082 -0.203496 15H 1pz 0.004225 0.007310 0.012098 -0.006916 -0.001937 0.002345 15H 1px 0.003083 -0.008050 -0.005046 0.004307 0.007533 -0.004727 15H 1py 0.009673 0.005098 0.024053 -0.005212 -0.009939 -0.010937 16H 1s 0.009529 -0.009551 -0.000633 -0.017018 -0.033172 -0.010865 16H 2s 0.122067 -0.051757 -0.033805 -0.323805 -0.150915 -0.027559 16H 3s -0.261728 0.074668 0.073490 0.385479 -0.307723 -0.317045 16H 1pz 0.008744 -0.002347 -0.004894 -0.028255 -0.000554 0.002564 16H 1px 0.000931 -0.005470 0.001929 0.006760 -0.013186 -0.005629 16H 1py 0.003210 -0.000922 -0.000866 -0.008283 -0.002841 -0.000258 17H 1s -0.000780 0.020760 0.000167 0.023386 0.028465 -0.013562 17H 2s 0.114460 0.066048 0.034882 0.202748 0.230706 0.057943 17H 3s -0.443101 0.328438 -0.062969 0.079226 -0.066143 -0.472173 17H 1pz -0.006634 -0.001726 -0.002921 -0.009887 -0.011944 -0.001631 17H 1px -0.013734 0.009408 -0.005078 -0.006144 -0.000674 -0.018891 17H 1py 0.005046 -0.000152 0.002049 0.005196 0.007937 0.003736 18H 1s -0.000640 0.020689 0.000010 -0.023567 -0.028534 0.012198 18H 2s -0.111966 0.054407 0.034436 -0.200826 -0.232629 -0.067182 18H 3s 0.406891 0.372975 -0.071034 -0.085690 0.065755 0.474856 18H 1pz -0.006495 0.000972 0.003116 -0.010194 -0.012110 -0.002456 18H 1px -0.012256 -0.010755 0.005192 -0.005887 -0.000731 -0.018927 18H 1py 0.004402 0.000436 -0.001923 0.004667 0.007881 0.003687 19H 1s -0.008905 -0.010196 -0.000712 0.016911 0.032706 0.012311 19H 2s -0.120969 -0.059702 -0.032569 0.327220 0.145356 0.041365 19H 3s 0.258542 0.098991 0.064305 -0.392485 0.307579 0.315124 19H 1pz 0.008884 0.003001 0.004649 -0.028322 -0.000233 0.001755 19H 1px 0.000280 0.005594 -0.001891 0.007238 -0.013138 -0.005832 19H 1py 0.003361 0.001194 0.001016 -0.009184 -0.002674 -0.000690 20H 1s -0.005601 -0.004524 -0.019129 -0.013511 -0.011383 0.014074 20H 2s 0.013947 -0.126903 -0.354472 -0.143514 -0.217282 0.014299 20H 3s -0.451932 -0.171062 -0.155873 -0.041865 -0.426694 0.187319 20H 1pz 0.004809 -0.006734 -0.012150 -0.006863 -0.001933 0.002399 20H 1px 0.002489 0.008269 0.005067 0.004135 0.007715 -0.004801 20H 1py 0.009798 -0.003977 -0.024047 -0.005048 -0.010152 -0.010851 21H 1s -0.001039 0.009699 0.010416 -0.015719 0.014967 0.008603 21H 2s -0.085915 0.005150 0.211832 -0.057220 0.083985 0.165568 21H 3s -0.357831 -0.123537 -0.005392 0.224397 -0.532442 0.041003 21H 1pz -0.001435 -0.007517 -0.016383 -0.003128 -0.011375 -0.004112 21H 1px 0.004709 0.007216 -0.009961 0.004491 -0.001754 -0.014468 21H 1py -0.007084 -0.003537 -0.000503 0.006083 -0.012166 0.004678 22H 1s 0.005868 0.013122 0.006031 0.030572 -0.012194 -0.015468 22H 2s 0.114549 0.221394 0.078143 0.231448 0.089633 -0.212828 22H 3s 0.189659 0.610302 -0.143979 -0.387787 0.522198 -0.307174 22H 1pz -0.003752 -0.011106 -0.014340 -0.009989 -0.012114 0.004390 22H 1px 0.005368 0.001661 0.000932 0.013403 -0.001697 -0.010783 22H 1py 0.004846 0.008249 -0.004278 -0.003275 0.009992 -0.002039 23H 1s 0.010496 -0.008584 -0.013438 -0.004961 -0.012388 0.007936 23H 2s -0.020564 -0.179782 -0.225954 -0.201965 -0.119969 0.116418 23H 3s -0.145956 -0.467656 0.075193 -0.410549 -0.173893 -0.325418 23H 1pz 0.005739 0.001456 -0.001596 0.006639 0.000508 0.005841 23H 1px -0.004654 0.019569 -0.000658 0.017377 0.004761 0.002567 23H 1py 0.004858 0.001832 0.019843 0.008636 0.002405 -0.013626 24H 1s 0.021243 -0.009620 0.016759 -0.008901 -0.010543 -0.007635 24H 2s 0.197047 -0.143955 0.332204 -0.113307 0.007989 -0.167434 24H 3s 0.119445 -0.561507 0.201101 -0.322123 -0.384148 -0.377185 24H 1pz -0.004702 -0.004132 -0.020007 -0.003040 -0.010733 0.009289 24H 1px -0.010500 0.017198 -0.014190 0.012855 -0.002047 0.005685 24H 1py 0.006248 0.004852 0.006126 0.005624 0.002630 0.003848 25H 1s -0.033344 0.031263 -0.001010 0.007358 0.021508 -0.016581 25H 2s -0.245239 0.454763 -0.064841 0.290284 0.179672 0.004073 25H 3s 0.170255 0.633750 0.012841 0.493425 -0.038817 0.612241 25H 1pz -0.003297 -0.018591 -0.000867 -0.016914 -0.001191 -0.004213 25H 1px -0.016443 0.021106 -0.007061 0.013649 0.011108 -0.002504 25H 1py 0.001920 -0.007237 0.012281 -0.005242 0.003379 -0.008857 26O 1s -0.011367 0.010856 -0.004402 -0.004623 0.008460 -0.001109 26O 2s -0.029436 0.027272 -0.010870 -0.012204 0.021202 -0.003523 26O 3s 0.070474 -0.056244 0.018637 0.033412 -0.042328 0.017195 26O 4s -0.078085 -0.004766 0.018668 -0.045606 -0.012019 -0.061585 26O 5s 1.714000 -0.892096 0.409602 0.836305 -0.436353 0.793541 26O 1pz -0.038234 0.004493 0.012278 -0.022288 -0.001772 -0.064493 26O 1px 0.008157 0.064734 -0.001731 0.007147 -0.018641 0.000678 26O 1py -0.022717 0.004879 -0.041034 -0.033569 -0.010397 -0.012648 26O 2pz -0.031397 0.037971 -0.009513 -0.027401 0.017312 -0.042036 26O 2px -0.043172 0.064157 -0.020727 -0.013592 0.005346 -0.014869 26O 2py -0.051089 0.030211 -0.036794 -0.060634 0.005341 0.000538 26O 3pz -0.104093 -0.174638 0.115305 -0.016272 -0.246314 -0.376785 26O 3px -0.594335 0.303272 -0.124044 -0.014205 -0.005344 -0.203224 26O 3py -0.244115 -0.019526 -0.110665 0.024394 -0.156486 -0.281878 26O 1dz2 0.001493 -0.002077 -0.000315 -0.000124 -0.000781 0.001067 26O 1dxz 0.000733 -0.000552 -0.000469 -0.000800 -0.000308 -0.000748 26O 1dyz 0.000154 -0.000446 0.000008 0.000436 0.001901 -0.000387 26O 1dx2y2 -0.003019 0.000458 -0.001964 0.000851 0.001956 0.000991 26O 1dxy -0.001832 0.001473 0.000337 -0.000382 0.000766 0.001017 26O 2dz2 -0.018419 -0.007168 -0.009677 -0.002371 0.003016 -0.012663 26O 2dxz 0.004335 -0.002120 0.000362 0.007994 -0.000967 0.001084 26O 2dyz -0.002792 -0.013497 0.007843 0.006183 0.003768 -0.001733 26O 2dx2y2 0.029937 -0.000192 0.002814 0.001894 0.000701 0.019253 26O 2dxy 0.028496 -0.001679 0.002052 0.010536 0.002583 0.013017 26O 1f0 0.000356 -0.000831 0.000540 0.000383 0.000323 0.000214 26O 1f+1 0.001897 0.000410 0.000737 0.000177 -0.000809 0.000176 26O 1f-1 0.000587 -0.000664 0.000636 0.000827 -0.000871 -0.000128 26O 1f+2 -0.000620 0.000577 0.000361 -0.000683 0.000537 0.000356 26O 1f-2 0.000046 0.001498 -0.000200 -0.000347 -0.001373 -0.000251 26O 1f+3 0.001230 0.000142 -0.000332 -0.000035 -0.000335 0.000572 26O 1f-3 0.002086 -0.000659 0.000266 0.000355 -0.000101 0.000851 27O 1s -0.001150 0.003084 0.003646 0.011498 -0.004390 -0.005895 27O 2s -0.003546 0.007982 0.008744 0.029057 -0.012215 -0.014747 27O 3s 0.017812 -0.019620 -0.011624 -0.059595 0.042122 0.028996 27O 4s -0.065485 0.021632 -0.034422 0.011827 -0.089057 0.007713 27O 5s 0.665024 -0.531694 -0.195017 -1.356676 1.100867 0.401010 27O 1pz -0.007171 0.025582 0.031064 0.017817 -0.023130 0.036685 27O 1px -0.028884 0.002220 0.020919 0.001913 -0.008687 0.007970 27O 1py 0.000477 0.007315 0.017469 -0.032113 0.065107 -0.028971 27O 2pz -0.000058 0.032052 0.027592 0.014040 -0.015423 0.040868 27O 2px -0.029817 0.014268 0.029140 0.049271 -0.027330 -0.010349 27O 2py -0.022844 -0.007813 -0.011707 -0.021900 0.054398 -0.013566 27O 3pz -0.102673 0.006190 -0.029532 -0.041980 -0.098503 0.116390 27O 3px -0.259340 0.107146 0.083239 0.498817 -0.202157 -0.126962 27O 3py 0.238876 0.049950 0.208109 -0.203977 0.279392 -0.140072 27O 1dz2 -0.000478 -0.000738 -0.000826 -0.002170 -0.002187 -0.000193 27O 1dxz -0.001420 0.000147 -0.001867 -0.000522 -0.000744 0.001598 27O 1dyz -0.000871 0.000628 -0.000047 -0.000666 -0.000196 0.001270 27O 1dx2y2 0.001677 -0.000113 -0.000251 0.003294 0.000548 -0.000396 27O 1dxy -0.000282 -0.000782 -0.000153 -0.001553 0.000349 0.000766 27O 2dz2 -0.012983 0.004988 -0.006388 0.018411 -0.010369 -0.007942 27O 2dxz -0.001237 -0.001090 0.000263 0.005295 -0.003867 -0.005143 27O 2dyz -0.003773 0.004464 0.007129 -0.008055 -0.000010 0.004571 27O 2dx2y2 0.012275 -0.003987 -0.003388 -0.026316 0.016321 0.011678 27O 2dxy -0.008021 0.000974 0.003419 0.007086 -0.008573 -0.001328 27O 1f0 0.000127 0.000127 -0.000055 0.000726 -0.000144 -0.000434 27O 1f+1 0.000441 -0.000077 0.000280 -0.001384 0.000460 0.000681 27O 1f-1 -0.000401 0.000091 -0.000399 0.000256 0.000011 0.000312 27O 1f+2 0.000126 0.000548 0.000480 -0.000395 -0.000005 0.000231 27O 1f-2 0.000505 -0.000234 -0.000395 0.000787 0.000110 -0.000751 27O 1f+3 0.000024 -0.000260 -0.000713 -0.001601 0.000223 0.000920 27O 1f-3 -0.001053 0.000534 0.000384 0.001075 -0.000439 -0.000055 28O 1s 0.004946 0.008497 -0.003215 0.002977 0.000365 0.011628 28O 2s 0.013261 0.020241 -0.007717 0.008568 0.000774 0.029932 28O 3s -0.037167 -0.023690 0.010087 -0.032103 -0.000054 -0.070863 28O 4s 0.055192 -0.112702 0.029186 0.110343 0.012758 0.059230 28O 5s -1.213080 -0.414794 0.193890 -0.948050 -0.061090 -1.458673 28O 1pz 0.050053 0.069101 0.020799 0.012554 -0.066833 0.004024 28O 1px 0.011915 -0.043865 0.025546 0.027223 -0.003107 -0.027602 28O 1py 0.040888 0.032318 -0.045363 0.021907 -0.044822 0.015507 28O 2pz 0.049864 0.074171 0.005370 0.030751 -0.040801 0.027288 28O 2px -0.034522 -0.048774 0.029951 0.003117 -0.003615 -0.057492 28O 2py 0.023388 0.019343 -0.062135 0.035905 -0.027888 0.009619 28O 3pz 0.515053 0.281025 0.091152 0.126904 -0.227873 0.243689 28O 3px -0.163745 -0.351213 0.156214 -0.171274 -0.111538 -0.374364 28O 3py 0.266768 0.107770 0.057703 -0.026871 -0.179109 0.050983 28O 1dz2 0.000090 -0.000382 -0.000545 -0.000259 -0.000583 0.001122 28O 1dxz -0.000263 -0.000635 0.000316 -0.003571 -0.000757 -0.001734 28O 1dyz -0.000394 -0.000568 0.000312 -0.000206 0.000322 0.000472 28O 1dx2y2 -0.001134 0.002064 -0.000985 0.001661 0.000574 0.002320 28O 1dxy -0.001006 0.000595 -0.001248 0.000194 0.001220 -0.000788 28O 2dz2 0.000450 -0.001077 -0.003943 -0.005414 -0.001133 -0.000172 28O 2dxz 0.033352 0.014536 -0.004166 0.006970 0.003056 0.020751 28O 2dyz -0.004140 -0.007213 0.005974 -0.004532 -0.003727 -0.000862 28O 2dx2y2 -0.018021 -0.010319 -0.003373 -0.003104 -0.001173 -0.010332 28O 2dxy 0.002338 -0.000266 0.001492 0.003616 0.000251 0.003864 28O 1f0 -0.000690 0.000127 0.001043 -0.000476 -0.000680 -0.000754 28O 1f+1 -0.000570 -0.000744 -0.000039 -0.000724 -0.000079 -0.000676 28O 1f-1 0.000506 0.000822 0.000060 -0.000461 -0.000643 -0.000352 28O 1f+2 0.001190 0.000417 -0.000030 0.001054 0.000775 0.001667 28O 1f-2 -0.000467 -0.000960 0.000777 -0.000222 -0.000147 -0.000252 28O 1f+3 0.000637 0.000357 0.000223 0.000352 0.000296 0.000315 28O 1f-3 -0.000323 0.000342 0.000091 -0.000643 -0.000521 -0.000605 29O 1s 0.008192 0.002541 -0.000377 0.000465 0.002246 -0.001000 29O 2s 0.019499 0.006492 -0.000851 0.001241 0.005169 -0.002923 29O 3s -0.023723 -0.014923 0.000496 -0.004814 -0.002949 0.013821 29O 4s -0.076684 -0.003357 0.008508 -0.009464 -0.036627 -0.026674 29O 5s -0.205460 -0.103455 -0.012618 0.078541 -0.021775 0.064431 29O 1pz -0.001990 -0.004916 0.011213 0.012132 -0.022091 -0.005380 29O 1px 0.025765 -0.009995 0.002865 -0.006896 0.015828 0.043263 29O 1py -0.067142 0.025445 -0.001716 0.021704 -0.007665 0.018387 29O 2pz 0.010063 -0.000787 0.003752 -0.022344 -0.034043 -0.008330 29O 2px -0.016052 -0.012207 0.000478 -0.007835 0.001541 0.043324 29O 2py -0.080084 0.029774 -0.000640 0.025260 -0.006952 0.039708 29O 3pz -0.057042 -0.071838 -0.009699 -0.210292 -0.187784 -0.076994 29O 3px 0.239220 -0.012820 -0.007604 -0.137683 0.002093 0.050356 29O 3py 0.107698 0.018983 0.001446 -0.028760 0.051994 -0.045066 29O 1dz2 0.000108 -0.001257 -0.000434 -0.003263 -0.002816 -0.000202 29O 1dxz -0.000355 0.001174 0.000519 0.002043 0.002926 0.000311 29O 1dyz 0.000512 -0.001294 -0.000603 -0.004976 -0.003289 -0.001056 29O 1dx2y2 -0.000068 0.001239 0.000111 0.001304 0.001016 -0.000132 29O 1dxy -0.001383 -0.000217 -0.000365 -0.001582 -0.001632 0.000203 29O 2dz2 -0.001146 -0.001806 0.002346 0.011321 -0.006370 -0.001781 29O 2dxz -0.004130 0.004011 -0.002960 -0.008022 0.006420 -0.003569 29O 2dyz 0.001947 -0.000174 0.002278 0.015347 0.004625 -0.000191 29O 2dx2y2 -0.007015 0.006121 -0.001051 0.002266 0.001542 -0.010356 29O 2dxy 0.000602 -0.003802 0.001609 0.000477 0.005556 0.017640 29O 1f0 0.000967 -0.000082 -0.000023 -0.001194 0.000103 0.000301 29O 1f+1 -0.000520 0.000136 -0.000186 -0.000409 0.000038 -0.000105 29O 1f-1 0.000886 0.000071 -0.000245 -0.002027 0.000604 0.001082 29O 1f+2 -0.000154 -0.000369 0.000213 0.000627 -0.000605 0.000063 29O 1f-2 0.000982 -0.000205 0.000423 0.001207 0.000749 0.001455 29O 1f+3 -0.000307 0.000079 -0.000172 -0.000339 -0.000118 -0.000948 29O 1f-3 -0.000266 0.000096 -0.000186 -0.000691 -0.000264 -0.000185 30O 1s 0.001522 -0.006505 0.004596 -0.006912 0.009620 -0.004386 30O 2s 0.004453 -0.016979 0.011375 -0.017398 0.025462 -0.011127 30O 3s -0.017274 0.044876 -0.020034 0.033285 -0.070303 0.024909 30O 4s 0.080130 -0.044295 -0.018073 0.009601 0.111768 -0.026053 30O 5s -0.815060 0.431719 -0.407797 1.042188 -1.455274 0.327812 30O 1pz -0.009208 -0.006667 0.056185 -0.046316 0.039506 0.033824 30O 1px 0.009149 0.001528 0.000354 -0.027771 0.014009 0.001974 30O 1py 0.012907 -0.010809 0.015001 0.042889 -0.011396 -0.036780 30O 2pz 0.008957 -0.013758 0.074238 -0.052372 0.053805 0.004380 30O 2px -0.008862 0.009098 -0.000708 0.014152 -0.016063 -0.001859 30O 2py -0.003275 -0.007669 -0.000284 0.044204 -0.021656 -0.005880 30O 3pz 0.151339 0.046693 0.071876 -0.342461 0.209829 0.240435 30O 3px -0.252509 -0.029798 -0.167645 0.138462 -0.230004 0.159358 30O 3py -0.153859 -0.071595 0.024552 0.411952 -0.203008 -0.360478 30O 1dz2 -0.000734 0.000533 -0.001531 0.000117 -0.001224 0.001126 30O 1dxz -0.000350 0.000244 -0.000228 0.001067 -0.002171 -0.000064 30O 1dyz -0.000423 0.000227 0.000031 0.001198 -0.000575 0.001887 30O 1dx2y2 0.001597 0.000842 0.000379 0.000320 -0.000060 -0.001355 30O 1dxy 0.001224 -0.000465 0.000683 -0.002009 0.001583 -0.001171 30O 2dz2 0.003768 0.001555 -0.002571 -0.002503 0.003200 0.001592 30O 2dxz 0.014371 -0.001866 0.000445 -0.017905 0.012705 0.002918 30O 2dyz 0.009958 0.003285 0.009206 -0.010746 0.007847 0.000027 30O 2dx2y2 -0.007625 -0.002739 -0.005002 0.012640 -0.001587 -0.010678 30O 2dxy -0.011485 -0.004534 -0.004789 0.023137 -0.011015 -0.005688 30O 1f0 -0.000827 -0.000067 0.000264 0.000748 -0.000347 -0.000578 30O 1f+1 -0.000561 0.000377 -0.000263 0.000327 -0.000328 0.000397 30O 1f-1 -0.000079 -0.000103 -0.001080 0.000382 0.000390 -0.000347 30O 1f+2 0.000807 -0.000411 0.000161 -0.000468 0.000722 -0.001064 30O 1f-2 0.001154 0.000260 0.000608 -0.001400 0.001037 -0.000347 30O 1f+3 -0.000134 -0.000030 -0.000009 -0.000036 -0.000375 0.000911 30O 1f-3 0.001099 -0.000297 0.000492 -0.000759 0.001315 -0.000544 31O 1s -0.000702 -0.006458 0.004713 0.006946 -0.009669 0.004472 31O 2s -0.002342 -0.016914 0.011695 0.017505 -0.025588 0.011317 31O 3s 0.012225 0.045404 -0.021047 -0.033846 0.070650 -0.024971 31O 4s -0.076704 -0.051635 -0.015538 -0.007816 -0.111816 0.023396 31O 5s 0.749722 0.492554 -0.438395 -1.047647 1.453095 -0.305265 31O 1pz -0.011054 0.004702 -0.057378 -0.045729 0.039424 0.033752 31O 1px 0.009424 -0.000453 -0.000639 -0.028407 0.013732 0.003047 31O 1py 0.012010 0.012944 -0.014712 0.042917 -0.011404 -0.037182 31O 2pz 0.005632 0.013567 -0.075742 -0.051890 0.053515 0.004647 31O 2px -0.007320 -0.009420 0.001200 0.013904 -0.016293 -0.001559 31O 2py -0.002910 0.008125 0.000299 0.044074 -0.021424 -0.006273 31O 3pz 0.151638 -0.036237 -0.080376 -0.339815 0.208008 0.244520 31O 3px -0.244332 0.007572 0.172799 0.133095 -0.226440 0.157955 31O 3py -0.158829 0.060221 -0.015017 0.411355 -0.201622 -0.370331 31O 1dz2 0.000627 0.000612 -0.001546 -0.000085 0.001214 -0.001143 31O 1dxz 0.000297 0.000248 -0.000255 -0.001048 0.002161 0.000049 31O 1dyz 0.000378 0.000265 0.000031 -0.001206 0.000566 -0.001880 31O 1dx2y2 -0.001641 0.000671 0.000384 -0.000353 0.000095 0.001359 31O 1dxy -0.001139 -0.000574 0.000731 0.002013 -0.001580 0.001157 31O 2dz2 -0.003822 0.001152 -0.002464 0.002493 -0.003196 -0.001648 31O 2dxz -0.013777 -0.003123 0.000941 0.017981 -0.012585 -0.003374 31O 2dyz -0.009835 0.002480 0.009545 0.010641 -0.007734 -0.000129 31O 2dx2y2 0.007724 -0.001963 -0.005161 -0.012648 0.001530 0.010768 31O 2dxy 0.011557 -0.003521 -0.005199 -0.023110 0.010836 0.006235 31O 1f0 -0.000816 -0.000011 -0.000239 0.000747 -0.000347 -0.000592 31O 1f+1 -0.000521 -0.000417 0.000271 0.000336 -0.000316 0.000385 31O 1f-1 -0.000071 0.000109 0.001083 0.000366 0.000401 -0.000342 31O 1f+2 0.000755 0.000495 -0.000166 -0.000480 0.000715 -0.001042 31O 1f-2 0.001138 -0.000169 -0.000640 -0.001388 0.001021 -0.000334 31O 1f+3 -0.000125 0.000020 0.000012 -0.000041 -0.000375 0.000909 31O 1f-3 0.001046 0.000406 -0.000518 -0.000766 0.001311 -0.000532 32O 1s -0.008362 0.001777 -0.000245 -0.000579 -0.002328 0.000979 32O 2s -0.019946 0.004677 -0.000541 -0.001522 -0.005365 0.002870 32O 3s 0.024942 -0.012731 0.000136 0.005429 0.003179 -0.013646 32O 4s 0.076543 0.004080 0.006994 0.010117 0.037015 0.026805 32O 5s 0.211425 -0.086307 -0.014003 -0.078327 0.026827 -0.066532 32O 1pz -0.001228 0.005404 -0.011146 0.012040 -0.021980 -0.005090 32O 1px 0.025277 0.012560 -0.003740 -0.007735 0.015686 0.043219 32O 1py -0.063757 -0.031581 0.002341 0.021293 -0.009414 0.018178 32O 2pz 0.012217 0.002236 -0.003980 -0.022491 -0.033781 -0.009562 32O 2px -0.015952 0.010795 -0.000766 -0.008885 0.001097 0.042635 32O 2py -0.076175 -0.037254 0.001696 0.023278 -0.009450 0.039053 32O 3pz -0.060711 0.064991 0.010705 -0.212067 -0.186756 -0.085495 32O 3px 0.238601 0.035554 0.001772 -0.134339 0.002527 0.049926 32O 3py 0.106968 -0.008014 -0.001952 -0.034310 0.051404 -0.046632 32O 1dz2 -0.000024 -0.001172 -0.000426 0.003097 0.002608 0.000344 32O 1dxz 0.000298 0.001221 0.000520 -0.002123 -0.003003 -0.000471 32O 1dyz -0.000484 -0.001308 -0.000601 0.005077 0.003306 0.001278 32O 1dx2y2 -0.000046 0.001264 0.000139 -0.001451 -0.001081 0.000049 32O 1dxy 0.001331 -0.000030 -0.000342 0.001484 0.001574 -0.000134 32O 2dz2 0.001655 -0.001646 0.002058 -0.010624 0.006490 0.001801 32O 2dxz 0.003478 0.004587 -0.003012 0.008280 -0.006297 0.003902 32O 2dyz -0.001314 -0.000373 0.002324 -0.016001 -0.004412 -0.000044 32O 2dx2y2 0.006421 0.006976 -0.001317 -0.001815 -0.001480 0.010684 32O 2dxy 0.000167 -0.003591 0.001519 0.000131 -0.005614 -0.017355 32O 1f0 0.000894 0.000146 0.000006 -0.001120 0.000108 0.000200 32O 1f+1 -0.000527 -0.000191 0.000191 -0.000404 -0.000018 -0.000161 32O 1f-1 0.000953 0.000016 0.000214 -0.002104 0.000612 0.001060 32O 1f+2 -0.000245 0.000358 -0.000209 0.000681 -0.000660 0.000013 32O 1f-2 0.000879 0.000302 -0.000431 0.001206 0.000742 0.001491 32O 1f+3 -0.000252 -0.000101 0.000165 -0.000292 -0.000081 -0.000908 32O 1f-3 -0.000226 -0.000140 0.000193 -0.000711 -0.000246 -0.000220 33O 1s -0.005908 0.007954 -0.003151 -0.002906 -0.000341 -0.011771 33O 2s -0.015546 0.018796 -0.007550 -0.008397 -0.000721 -0.030323 33O 3s 0.039662 -0.019768 0.009682 0.031890 0.000072 0.072173 33O 4s -0.041752 -0.118141 0.029613 -0.110924 -0.013719 -0.060950 33O 5s 1.258144 -0.285475 0.178286 0.943465 0.063968 1.470843 33O 1pz 0.057062 -0.063012 -0.020660 0.012472 -0.067489 0.005170 33O 1px 0.007297 0.045485 -0.026070 0.027143 -0.002973 -0.028319 33O 1py 0.044477 -0.028075 0.045413 0.021659 -0.045016 0.016528 33O 2pz 0.058055 -0.068061 -0.006111 0.030291 -0.041091 0.027428 33O 2px -0.040253 0.045721 -0.030099 0.003304 -0.003542 -0.058139 33O 2py 0.025956 -0.017577 0.062318 0.034588 -0.027921 0.009820 33O 3pz 0.541719 -0.224633 -0.091265 0.127228 -0.232088 0.249015 33O 3px -0.204292 0.332601 -0.154675 -0.168202 -0.111880 -0.368438 33O 3py 0.275893 -0.076808 -0.058754 -0.020836 -0.180644 0.060993 33O 1dz2 -0.000050 -0.000378 -0.000544 0.000231 0.000583 -0.001157 33O 1dxz 0.000357 -0.000577 0.000356 0.003542 0.000759 0.001669 33O 1dyz 0.000439 -0.000537 0.000301 0.000221 -0.000339 -0.000429 33O 1dx2y2 0.000883 0.002147 -0.001008 -0.001653 -0.000578 -0.002271 33O 1dxy 0.000911 0.000731 -0.001236 -0.000153 -0.001206 0.000833 33O 2dz2 -0.000446 -0.001233 -0.003963 0.005282 0.001078 -0.000013 33O 2dxz -0.035046 0.010921 -0.003710 -0.006938 -0.003053 -0.020684 33O 2dyz 0.004989 -0.006774 0.005909 0.004532 0.003757 0.000823 33O 2dx2y2 0.019180 -0.008596 -0.003641 0.003065 0.001100 0.010282 33O 2dxy -0.002416 -0.000355 0.001432 -0.003601 -0.000175 -0.003969 33O 1f0 -0.000699 -0.000204 -0.001024 -0.000476 -0.000692 -0.000755 33O 1f+1 -0.000642 0.000678 0.000049 -0.000716 -0.000073 -0.000666 33O 1f-1 0.000580 -0.000765 -0.000047 -0.000449 -0.000651 -0.000330 33O 1f+2 0.001247 -0.000291 0.000004 0.001037 0.000776 0.001639 33O 1f-2 -0.000573 0.000911 -0.000776 -0.000223 -0.000148 -0.000248 33O 1f+3 0.000682 -0.000292 -0.000235 0.000355 0.000292 0.000304 33O 1f-3 -0.000294 -0.000370 -0.000089 -0.000639 -0.000520 -0.000604 34O 1s 0.000999 0.003152 0.003529 -0.011824 0.004465 0.006059 34O 2s 0.003139 0.008204 0.008429 -0.029887 0.012405 0.015183 34O 3s -0.016571 -0.020962 -0.010705 0.061458 -0.042508 -0.030352 34O 4s 0.063188 0.026634 -0.036207 -0.012590 0.089342 -0.006206 34O 5s -0.630014 -0.578031 -0.165306 1.389974 -1.111095 -0.408833 34O 1pz -0.004806 -0.025825 -0.030585 0.018129 -0.023416 0.035666 34O 1px -0.029243 -0.006008 -0.020940 0.002834 -0.008429 0.005724 34O 1py 0.001027 -0.007878 -0.018112 -0.032485 0.064945 -0.027840 34O 2pz 0.002500 -0.031344 -0.026791 0.014711 -0.015546 0.040442 34O 2px -0.029725 -0.016934 -0.028112 0.051017 -0.027470 -0.011177 34O 2py -0.022750 0.004650 0.011394 -0.022761 0.054907 -0.013613 34O 3pz -0.097573 -0.017173 0.028469 -0.045731 -0.097761 0.109673 34O 3px -0.254650 -0.128962 -0.074937 0.505587 -0.204336 -0.130442 34O 3py 0.238206 -0.026444 -0.214355 -0.201209 0.275096 -0.129730 34O 1dz2 0.000525 -0.000671 -0.000846 0.002189 0.002152 0.000228 34O 1dxz 0.001364 0.000292 -0.001885 0.000517 0.000716 -0.001581 34O 1dyz 0.000795 0.000729 -0.000043 0.000677 0.000196 -0.001232 34O 1dx2y2 -0.001621 -0.000331 -0.000264 -0.003328 -0.000550 0.000365 34O 1dxy 0.000350 -0.000741 -0.000162 0.001565 -0.000366 -0.000735 34O 2dz2 0.012519 0.005923 -0.006839 -0.018553 0.010427 0.007763 34O 2dxz 0.001348 -0.000997 0.000202 -0.005374 0.003844 0.005229 34O 2dyz 0.003539 0.004918 0.007157 0.007875 0.000102 -0.004666 34O 2dx2y2 -0.011998 -0.004845 -0.002724 0.026591 -0.016422 -0.011705 34O 2dxy 0.008121 0.001660 0.003202 -0.007269 0.008666 0.001299 34O 1f0 0.000132 -0.000101 0.000057 0.000734 -0.000143 -0.000411 34O 1f+1 0.000445 0.000103 -0.000307 -0.001392 0.000465 0.000674 34O 1f-1 -0.000398 -0.000130 0.000406 0.000265 0.000016 0.000322 34O 1f+2 0.000166 -0.000538 -0.000482 -0.000387 -0.000019 0.000236 34O 1f-2 0.000486 0.000302 0.000398 0.000785 0.000109 -0.000724 34O 1f+3 0.000017 0.000227 0.000685 -0.001612 0.000239 0.000901 34O 1f-3 -0.001023 -0.000625 -0.000365 0.001099 -0.000446 -0.000055 35O 1s 0.010087 0.012126 -0.004485 0.004739 -0.008390 0.001166 35O 2s 0.026215 0.030549 -0.011112 0.012496 -0.021026 0.003709 35O 3s -0.063816 -0.063908 0.019618 -0.033987 0.041989 -0.018188 35O 4s 0.077856 0.002670 0.015405 0.045731 0.011544 0.066198 35O 5s -1.597220 -1.077322 0.437940 -0.849599 0.438099 -0.834011 35O 1pz -0.038110 -0.008621 -0.011332 -0.022381 -0.001700 -0.065575 35O 1px 0.014692 -0.063814 0.002759 0.007370 -0.018952 0.000829 35O 1py -0.021527 -0.006874 0.041300 -0.033949 -0.010199 -0.012890 35O 2pz -0.027156 -0.041621 0.010045 -0.028221 0.017386 -0.043064 35O 2px -0.035885 -0.069103 0.022221 -0.014279 0.005312 -0.015450 35O 2py -0.046562 -0.035186 0.036591 -0.061487 0.004808 0.000283 35O 3pz -0.124702 0.164760 -0.109406 -0.010340 -0.245057 -0.380156 35O 3px -0.554866 -0.365139 0.136138 -0.016172 -0.004098 -0.214009 35O 3py -0.245541 -0.005667 0.119749 0.025974 -0.150605 -0.290193 35O 1dz2 -0.001257 -0.002221 -0.000288 0.000156 0.000768 -0.001074 35O 1dxz -0.000695 -0.000596 -0.000480 0.000796 0.000301 0.000761 35O 1dyz -0.000112 -0.000447 0.000025 -0.000431 -0.001889 0.000374 35O 1dx2y2 0.002891 0.000797 -0.001988 -0.000792 -0.001967 -0.000945 35O 1dxy 0.001674 0.001663 0.000300 0.000372 -0.000782 -0.001006 35O 2dz2 0.018986 -0.005200 -0.009956 0.002493 -0.003313 0.013052 35O 2dxz -0.003987 -0.002679 0.000491 -0.008005 0.001011 -0.001254 35O 2dyz 0.004304 -0.013135 0.007938 -0.006330 -0.003771 0.001760 35O 2dx2y2 -0.029676 -0.003358 0.003243 -0.001969 -0.000581 -0.019718 35O 2dxy -0.028050 -0.004817 0.002470 -0.010766 -0.002466 -0.013766 35O 1f0 0.000254 0.000871 -0.000555 0.000389 0.000324 0.000222 35O 1f+1 0.001912 -0.000210 -0.000755 0.000191 -0.000821 0.000199 35O 1f-1 0.000495 0.000737 -0.000632 0.000843 -0.000872 -0.000116 35O 1f+2 -0.000548 -0.000648 -0.000358 -0.000686 0.000528 0.000339 35O 1f-2 0.000202 -0.001482 0.000220 -0.000335 -0.001375 -0.000259 35O 1f+3 0.001236 -0.000015 0.000325 -0.000043 -0.000332 0.000587 35O 1f-3 0.001991 0.000886 -0.000301 0.000371 -0.000110 0.000889 168 169 170 171 172 173 0.31484 0.31814 0.32048 0.32075 0.35088 0.36237 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s 0.000806 0.000341 0.000256 0.000382 0.000040 -0.000910 0Rh 2s -0.003108 -0.001274 -0.001150 -0.001382 -0.000028 0.002501 0Rh 3s 0.002768 0.001197 0.000781 0.001368 0.000215 -0.003750 0Rh 4s 0.013780 0.005620 0.005189 0.006080 0.000064 -0.010632 0Rh 5s -0.011853 -0.004347 -0.005939 -0.004361 0.001008 0.000321 0Rh 6s -0.021890 -0.011230 -0.002070 -0.013318 -0.004096 0.052547 0Rh 7s -0.095723 0.036617 -0.324494 0.046168 0.030401 -0.284730 0Rh 8s 0.442557 0.163632 0.691175 0.050562 -0.239515 1.147980 0Rh 1pz 0.009276 0.006830 0.001446 0.005616 -0.015115 -0.002810 0Rh 1px 0.004373 0.002771 -0.000066 -0.000579 -0.005056 0.000249 0Rh 1py -0.001074 -0.006021 0.012494 0.009614 0.003461 -0.011281 0Rh 2pz -0.032256 -0.023717 -0.005037 -0.019449 0.051818 0.009546 0Rh 2px -0.015199 -0.009667 0.000159 0.001979 0.017297 -0.000802 0Rh 2py 0.003793 0.020833 -0.043523 -0.033324 -0.011806 0.038167 0Rh 3pz 0.035677 0.025562 0.005718 0.020002 -0.042621 -0.006258 0Rh 3px 0.016584 0.011294 0.001282 -0.001463 -0.013537 -0.000245 0Rh 3py -0.005198 -0.021024 0.049383 0.034723 0.008465 -0.021444 0Rh 4pz 0.014985 0.013838 0.002108 0.014924 -0.082031 -0.020861 0Rh 4px 0.008328 0.002074 -0.006399 -0.003890 -0.030148 0.004063 0Rh 4py 0.001950 -0.017771 0.015785 0.024110 0.023735 -0.099571 0Rh 5pz 0.074876 0.044070 0.009503 0.028379 0.006475 0.011619 0Rh 5px 0.029594 0.027310 0.016204 0.002531 0.008573 0.001178 0Rh 5py -0.016988 -0.027499 0.112590 0.053255 -0.012761 0.090219 0Rh 6pz -1.849170 -0.895329 -0.366576 -0.695263 0.323007 -0.035529 0Rh 6px -0.732540 -0.544610 0.068035 -0.060509 0.074251 -0.335746 0Rh 6py 0.411481 0.744578 -2.493610 -1.066341 0.060566 -0.630357 0Rh 1dz2 0.014774 -0.004732 0.002041 -0.008343 0.023844 0.005705 0Rh 1dxz -0.029720 0.006039 -0.008635 0.012302 -0.037072 -0.017493 0Rh 1dyz -0.006928 0.006282 0.008549 -0.003462 -0.009553 0.013284 0Rh 1dx2y2 -0.011216 0.007782 0.009949 -0.000170 -0.018481 0.015084 0Rh 1dxy 0.005355 -0.012616 -0.032385 0.011705 0.009453 -0.046204 0Rh 2dz2 0.000020 0.000426 0.000088 0.000840 -0.001159 -0.000688 0Rh 2dxz 0.000860 -0.001003 -0.000109 -0.001138 0.001150 0.000020 0Rh 2dyz 0.000241 -0.000606 0.000111 0.000620 0.000434 -0.000523 0Rh 2dx2y2 0.000137 -0.000967 0.000143 0.000106 0.000270 0.000435 0Rh 2dxy -0.000015 0.001054 0.000574 -0.001314 -0.000489 0.001857 0Rh 3dz2 -0.026733 0.006813 -0.004061 0.011657 -0.038723 -0.007580 0Rh 3dxz 0.050220 -0.006860 0.016101 -0.017669 0.062993 0.032023 0Rh 3dyz 0.011504 -0.008899 -0.016026 0.003709 0.015740 -0.022210 0Rh 3dx2y2 0.019715 -0.010130 -0.018626 -0.000094 0.032604 -0.029532 0Rh 3dxy -0.009634 0.018589 0.056284 -0.015895 -0.015260 0.077044 0Rh 4dz2 -0.019595 0.011990 -0.001282 0.021890 -0.045436 -0.016542 0Rh 4dxz 0.050918 -0.020738 0.009665 -0.030554 0.062145 0.021325 0Rh 4dyz 0.013172 -0.016284 -0.008734 0.012889 0.017152 -0.023883 0Rh 4dx2y2 0.016913 -0.022934 -0.011031 0.001539 0.027323 -0.012489 0Rh 4dxy -0.007559 0.030165 0.051792 -0.032011 -0.019104 0.082633 0Rh 5dz2 -0.063235 -0.013251 -0.018397 -0.020514 -0.040670 0.015601 0Rh 5dxz 0.066328 0.037292 0.048152 0.019353 0.100278 0.085084 0Rh 5dyz 0.005151 0.016958 -0.065934 -0.026523 0.033985 -0.028774 0Rh 5dx2y2 0.039608 0.033406 -0.061037 -0.003633 0.069039 -0.099998 0Rh 5dxy -0.020120 -0.014293 0.084545 0.032588 -0.005024 0.112313 0Rh 1f0 -0.001094 -0.004031 0.003775 0.003208 0.004317 -0.004525 0Rh 1f+1 0.004908 0.001665 0.002571 0.001308 -0.003241 -0.000696 0Rh 1f-1 0.004782 0.001010 0.006698 0.010117 -0.005116 -0.006776 0Rh 1f+2 -0.007029 -0.007807 0.000273 -0.002499 0.009998 0.001769 0Rh 1f-2 -0.003235 -0.004581 0.006779 0.006103 0.001155 -0.004182 0Rh 1f+3 0.004910 0.005360 -0.002677 -0.001740 -0.006072 0.003255 0Rh 1f-3 -0.000897 -0.001376 0.004444 0.003915 0.002269 -0.000328 1Rh 1s 0.000859 -0.000356 0.000236 -0.000396 -0.000039 0.000706 1Rh 2s -0.003277 0.001324 -0.001070 0.001445 0.000012 -0.001717 1Rh 3s 0.002972 -0.001250 0.000710 -0.001407 -0.000219 0.003047 1Rh 4s 0.014511 -0.005840 0.004831 -0.006366 0.000009 0.007161 1Rh 5s -0.012166 0.004488 -0.005629 0.004707 -0.001168 0.002524 1Rh 6s -0.024295 0.011781 -0.001496 0.013368 0.004369 -0.046069 1Rh 7s -0.078781 -0.035907 -0.324325 -0.032635 -0.038255 0.248495 1Rh 8s 0.372662 -0.168957 0.678096 -0.079126 0.252391 -1.143549 1Rh 1pz -0.009347 0.006864 -0.000940 0.005651 -0.014946 -0.003329 1Rh 1px -0.004524 0.002659 0.000143 -0.000568 -0.005009 -0.000775 1Rh 1py 0.001593 -0.005658 -0.012272 0.010061 0.003291 -0.011352 1Rh 2pz 0.032503 -0.023835 0.003281 -0.019571 0.051228 0.011356 1Rh 2px 0.015722 -0.009285 -0.000427 0.001935 0.017135 0.002744 1Rh 2py -0.005582 0.019570 0.042754 -0.034884 -0.011210 0.038410 1Rh 3pz -0.035946 0.025676 -0.003891 0.020133 -0.041932 -0.008272 1Rh 3px -0.017172 0.011008 -0.000959 -0.001329 -0.013395 -0.003849 1Rh 3py 0.006903 -0.019578 -0.048600 0.036509 0.007736 -0.021642 1Rh 4pz -0.015121 0.013968 -0.000829 0.015002 -0.081902 -0.021747 1Rh 4px -0.008529 0.001355 0.006417 -0.004224 -0.029911 0.001097 1Rh 4py -0.000022 -0.017354 -0.015161 0.024619 0.023710 -0.099950 1Rh 5pz -0.075376 0.044122 -0.006727 0.028568 0.008243 0.007591 1Rh 5px -0.030993 0.027660 -0.015341 0.003453 0.008525 -0.004113 1Rh 5py 0.018633 -0.024194 -0.111462 0.057404 -0.014762 0.090209 1Rh 6pz 1.862581 -0.899911 0.306154 -0.704941 0.295880 0.071188 1Rh 6px 0.747272 -0.535359 -0.086956 -0.058844 0.066992 -0.265449 1Rh 6py -0.445362 0.668357 2.474348 -1.157811 0.095122 -0.627970 1Rh 1dz2 0.015025 0.004666 0.002677 0.008477 -0.024130 -0.005169 1Rh 1dxz -0.029627 -0.005878 -0.009467 -0.011927 0.037225 0.016270 1Rh 1dyz -0.006770 -0.006622 0.008537 0.003044 0.009707 -0.013668 1Rh 1dx2y2 -0.011108 -0.008157 0.009707 -0.000117 0.018542 -0.015342 1Rh 1dxy 0.004941 0.013705 -0.032481 -0.010527 -0.009610 0.046190 1Rh 2dz2 0.000018 -0.000422 0.000020 -0.000858 0.001194 0.000615 1Rh 2dxz 0.000865 0.001009 -0.000028 0.001130 -0.001165 0.000056 1Rh 2dyz 0.000230 0.000613 0.000111 -0.000613 -0.000420 0.000500 1Rh 2dx2y2 0.000093 0.000964 0.000160 -0.000123 -0.000255 -0.000403 1Rh 2dxy -0.000018 -0.001070 0.000582 0.001298 0.000507 -0.001878 1Rh 3dz2 -0.027184 -0.006707 -0.004934 -0.011825 0.039100 0.006905 1Rh 3dxz 0.050029 0.006541 0.017276 0.017019 -0.063209 -0.030089 1Rh 3dyz 0.011267 0.009484 -0.016000 -0.002979 -0.016082 0.023006 1Rh 3dx2y2 0.019705 0.010821 -0.018259 0.000684 -0.032777 0.029862 1Rh 3dxy -0.008864 -0.020496 0.056428 0.013824 0.015473 -0.076943 1Rh 4dz2 -0.019904 -0.011868 -0.002996 -0.022306 0.046249 0.014814 1Rh 4dxz 0.050899 0.020614 0.011796 0.029985 -0.062541 -0.018892 1Rh 4dyz 0.012800 0.016817 -0.008752 -0.012283 -0.017099 0.023997 1Rh 4dx2y2 0.016145 0.023399 -0.010493 -0.001380 -0.027192 0.013350 1Rh 4dxy -0.007105 -0.031864 0.052007 0.030197 0.019561 -0.082858 1Rh 5dz2 -0.064915 0.013429 -0.016717 0.021186 0.040035 -0.012401 1Rh 5dxz 0.065215 -0.038392 0.046506 -0.020748 -0.100072 -0.081259 1Rh 5dyz 0.005081 -0.015672 -0.065571 0.028606 -0.036664 0.032767 1Rh 5dx2y2 0.042372 -0.031594 -0.061305 0.006068 -0.070522 0.096745 1Rh 5dxy -0.017441 0.011191 0.084590 -0.036009 0.004426 -0.111876 1Rh 1f0 0.001219 -0.003899 -0.003796 0.003310 0.004202 -0.004186 1Rh 1f+1 -0.004920 0.001720 -0.002434 0.001398 -0.003268 -0.000741 1Rh 1f-1 -0.004618 0.001215 -0.006251 0.010361 -0.005106 -0.006819 1Rh 1f+2 0.007202 -0.007792 -0.000639 -0.002470 0.009865 0.001928 1Rh 1f-2 0.003511 -0.004356 -0.006661 0.006343 0.001153 -0.004382 1Rh 1f+3 -0.005044 0.005228 0.002808 -0.001888 -0.006059 0.003052 1Rh 1f-3 0.001172 -0.001199 -0.004342 0.004073 0.002284 -0.000277 2C 1s 0.001851 -0.006797 -0.000871 -0.018509 -0.003857 -0.010281 2C 2s 0.004644 -0.014673 -0.001394 -0.040420 -0.007889 -0.019779 2C 3s -0.026616 0.014170 -0.016856 0.038016 0.004545 -0.040724 2C 4s 0.077255 0.197362 0.135466 0.526345 0.119827 0.668595 2C 5s -0.893394 -1.844147 -1.388603 -4.194853 -3.278491 -5.694542 2C 1pz -0.025432 0.022130 -0.004123 0.101686 -0.027862 -0.012260 2C 1px -0.017210 -0.001441 -0.011510 0.005088 -0.000646 0.006986 2C 1py -0.016448 0.043863 -0.014044 0.066792 0.010453 -0.023841 2C 2pz -0.021312 -0.023179 0.004194 0.039686 -0.172211 -0.138855 2C 2px -0.007502 0.001089 0.004611 -0.045077 0.016044 -0.026549 2C 2py 0.001492 0.014060 -0.025244 0.017545 -0.056831 -0.120290 2C 3pz -0.477830 -0.089723 -0.512251 -1.212704 -0.282798 -1.042858 2C 3px 0.697985 0.296087 0.849097 0.378050 -0.474043 -0.233069 2C 3py 0.164950 -0.867718 -0.088299 -0.662958 -0.876484 0.001015 2C 1dz2 0.002994 -0.001933 0.004022 0.001987 -0.005149 0.001940 2C 1dxz -0.005512 0.001591 -0.004320 0.000285 0.001011 -0.003196 2C 1dyz -0.000069 0.000187 -0.000230 -0.000852 -0.000669 -0.003409 2C 1dx2y2 -0.002110 -0.001984 -0.001203 -0.001859 -0.000801 0.002951 2C 1dxy -0.002114 -0.003137 -0.005577 -0.001247 0.001011 -0.001425 2C 2dz2 0.026248 -0.050548 0.017418 -0.050711 -0.037562 0.017568 2C 2dxz -0.001002 -0.047138 -0.017550 -0.053462 -0.012925 0.002877 2C 2dyz 0.033754 -0.012465 0.022001 -0.074337 -0.004897 -0.028308 2C 2dx2y2 0.004588 0.002923 0.000423 0.059207 -0.005391 0.016643 2C 2dxy -0.005692 0.014641 0.001075 -0.009785 0.003403 -0.008284 2C 1f0 0.001431 -0.002751 0.000161 0.001165 0.000713 0.000752 2C 1f+1 0.000717 0.000933 0.001351 -0.002800 0.001002 -0.001987 2C 1f-1 0.002289 -0.001153 0.001545 -0.002191 -0.000027 0.003122 2C 1f+2 -0.001617 -0.001764 -0.001984 -0.000924 -0.000371 -0.003872 2C 1f-2 0.001975 -0.001348 0.001660 0.002049 0.000075 0.004675 2C 1f+3 0.001461 -0.004099 -0.000148 -0.004769 -0.001441 -0.002845 2C 1f-3 0.000482 0.001504 0.000897 -0.002267 0.000025 -0.001626 3C 1s -0.005111 -0.018841 -0.005893 0.006239 -0.005340 0.009800 3C 2s -0.010442 -0.040951 -0.013174 0.013526 -0.009809 0.020595 3C 3s -0.011445 0.034111 0.017216 -0.017142 -0.028568 -0.019455 3C 4s 0.277544 0.558373 0.110507 -0.158570 0.385878 -0.295091 3C 5s -0.963908 -4.563805 0.452216 1.472367 -4.268451 4.750631 3C 1pz 0.010965 0.063407 0.001206 -0.042588 -0.031940 -0.025275 3C 1px -0.008701 0.026784 0.016329 -0.017349 -0.021054 -0.011960 3C 1py -0.020911 -0.095986 -0.014401 0.030803 0.018772 0.006476 3C 2pz 0.001831 0.042027 -0.004969 -0.014871 -0.104399 0.094386 3C 2px -0.026890 -0.026257 -0.003490 0.004162 -0.091386 0.001254 3C 2py -0.033177 -0.017391 -0.000823 0.002519 0.110327 -0.168672 3C 3pz -0.520070 -0.837080 0.136265 0.923754 0.161633 0.883779 3C 3px 0.889353 -0.097179 -0.797314 0.004195 -0.120017 0.679725 3C 3py 0.225668 1.168875 -0.270034 0.036773 0.953856 -0.587177 3C 1dz2 0.002805 -0.000206 -0.001500 -0.004129 -0.001536 -0.002842 3C 1dxz -0.002530 0.000108 0.001785 -0.000540 -0.003262 -0.003037 3C 1dyz -0.001645 0.000335 0.002108 -0.001805 0.000649 -0.003886 3C 1dx2y2 -0.005708 -0.002164 0.001135 0.001824 0.000149 -0.004486 3C 1dxy 0.005323 0.000522 -0.006944 0.000480 0.003335 0.000894 3C 2dz2 0.003044 -0.006970 0.000274 -0.018267 -0.015354 -0.029439 3C 2dxz -0.011308 -0.052284 0.005035 0.011107 -0.007053 0.017680 3C 2dyz -0.007385 0.060367 0.021266 0.007347 0.011520 -0.026607 3C 2dx2y2 0.009107 0.068048 0.015786 -0.060657 -0.024471 -0.065018 3C 2dxy 0.022721 0.051591 0.009593 -0.041666 0.002489 -0.028396 3C 1f0 0.002308 0.002413 0.002277 -0.005062 -0.001647 -0.003472 3C 1f+1 0.001415 -0.000542 -0.000113 -0.001959 -0.000531 -0.001254 3C 1f-1 0.001037 0.003152 0.000219 0.002412 0.000430 -0.002040 3C 1f+2 -0.001780 -0.003425 -0.001879 0.000306 -0.004168 0.000120 3C 1f-2 -0.002382 -0.000434 0.000450 0.000054 -0.001965 0.000300 3C 1f+3 0.000856 -0.003344 -0.001196 -0.000127 0.000005 0.001288 3C 1f-3 0.000620 0.003017 0.000029 -0.000205 0.001125 0.000837 4C 1s -0.002535 0.010924 -0.000930 0.041039 -0.005829 -0.015660 4C 2s -0.006339 0.024832 -0.001773 0.092178 -0.013093 -0.033519 4C 3s 0.071151 -0.050331 0.014756 -0.131382 0.003494 -0.031124 4C 4s -0.382045 -0.107680 -0.049215 -0.841009 0.196862 0.812067 4C 5s 0.139767 0.589863 0.097738 1.025916 1.932113 1.970630 4C 1pz -0.023097 0.029620 -0.021728 -0.037973 0.028840 0.034597 4C 1px 0.018231 0.021991 0.013287 -0.020682 0.021837 -0.005850 4C 1py -0.005547 -0.056580 0.003898 -0.024453 -0.011405 0.043599 4C 2pz -0.044293 0.088541 -0.020945 -0.191334 0.225643 0.151837 4C 2px 0.003266 0.056953 0.062653 -0.061912 -0.114601 0.066116 4C 2py -0.023021 -0.219686 0.039649 -0.091011 -0.121592 0.312061 4C 3pz -0.005439 -1.281391 -0.236854 -1.905355 -2.117494 -1.844932 4C 3px -1.870326 -0.556649 -2.218582 -0.725389 -0.050680 -0.598624 4C 3py -0.807632 0.230263 -0.977966 -1.546520 -0.579036 -2.099279 4C 1dz2 -0.002829 0.000413 -0.003349 -0.003487 -0.000359 -0.006539 4C 1dxz 0.004777 -0.004565 0.002014 -0.009522 -0.009611 -0.000793 4C 1dyz -0.002905 0.003378 -0.000867 0.012204 -0.003503 -0.002539 4C 1dx2y2 -0.000025 0.007349 0.000186 0.017329 0.003942 0.008975 4C 1dxy -0.000937 0.003942 0.006813 0.012323 -0.004483 0.006142 4C 2dz2 -0.009311 0.043256 -0.030383 0.058227 0.138723 -0.029401 4C 2dxz 0.037992 0.020441 0.048986 0.033375 0.011696 0.013560 4C 2dyz -0.039452 0.034584 -0.020975 0.089810 0.015977 0.099088 4C 2dx2y2 -0.031479 0.001294 -0.015843 -0.034840 -0.002411 -0.079598 4C 2dxy -0.012301 0.001528 0.017186 0.019347 -0.031869 0.028014 4C 1f0 0.003862 0.000441 0.002062 -0.000206 -0.000288 -0.005231 4C 1f+1 0.004423 -0.002936 0.000633 0.002346 -0.002989 -0.008326 4C 1f-1 0.001946 -0.001788 -0.000148 -0.005074 -0.001738 -0.004849 4C 1f+2 -0.007847 0.003642 -0.005981 0.000031 0.009755 0.003737 4C 1f-2 0.000571 0.002879 0.001208 -0.001980 -0.001963 -0.002199 4C 1f+3 -0.003409 -0.001988 -0.005203 -0.000380 0.004111 -0.000620 4C 1f-3 0.001776 0.002243 -0.003877 0.001162 0.002815 -0.009847 5C 1s 0.005474 0.041684 0.002089 -0.011604 -0.013325 0.006227 5C 2s 0.012621 0.093359 0.005367 -0.026673 -0.029446 0.012363 5C 3s -0.053015 -0.124679 -0.058590 0.061341 0.013604 0.082125 5C 4s 0.155339 -0.925953 0.372030 0.057237 0.427560 -0.769062 5C 5s 0.224217 1.247345 -0.462969 -0.273689 1.895623 -2.195084 5C 1pz -0.011428 -0.010852 0.020008 0.043701 0.040899 -0.005786 5C 1px 0.010043 -0.014677 -0.023462 0.020524 0.000834 -0.028530 5C 1py 0.014915 0.050531 -0.000617 0.032665 -0.009095 0.062562 5C 2pz 0.001115 -0.055190 0.068333 0.189519 0.183310 -0.001972 5C 2px 0.033983 -0.012075 -0.060028 0.073277 0.276945 0.030946 5C 2py -0.003175 0.228998 -0.034330 0.079371 -0.040082 0.294515 5C 3pz 0.641133 -1.451138 -0.456275 -0.412373 -1.612294 0.949989 5C 3px -2.118726 -1.104821 2.074765 0.264496 -0.789271 0.296764 5C 3py -0.208227 2.096416 0.058028 -1.136023 1.519537 -2.681699 5C 1dz2 -0.006379 -0.012790 -0.002213 0.006494 -0.003382 0.002376 5C 1dxz 0.001401 -0.008787 -0.001261 0.003500 -0.000599 0.009642 5C 1dyz -0.002600 -0.014704 -0.007033 0.005955 0.006145 0.005901 5C 1dx2y2 0.008007 0.014844 0.000363 -0.005551 0.009533 -0.006804 5C 1dxy -0.003556 -0.000760 0.004118 0.000624 -0.002036 -0.008438 5C 2dz2 -0.036624 -0.009631 -0.010271 0.019405 0.043209 0.081846 5C 2dxz -0.006792 0.045523 -0.035150 0.000312 0.075326 0.006404 5C 2dyz -0.013245 -0.075450 -0.060997 0.030306 -0.040256 0.060747 5C 2dx2y2 0.058990 -0.054087 -0.007977 0.034938 0.021057 0.134185 5C 2dxy -0.022144 -0.069284 0.036065 0.026942 -0.078765 0.034959 5C 1f0 0.001236 0.005264 -0.005733 -0.001310 0.003851 0.002199 5C 1f+1 -0.007439 0.000388 0.000583 -0.002145 -0.006811 0.002604 5C 1f-1 0.000673 -0.000571 -0.000680 -0.003187 -0.001422 -0.003701 5C 1f+2 -0.003148 0.003989 0.004077 0.001341 0.000623 -0.004891 5C 1f-2 0.000851 -0.000902 0.007001 -0.002260 -0.000983 -0.011896 5C 1f+3 -0.007698 -0.000859 0.000377 0.001659 -0.007455 0.007712 5C 1f-3 0.004307 -0.001969 0.005490 -0.003612 0.004996 -0.009852 6C 1s 0.005509 -0.041750 0.001103 0.011464 0.013389 -0.008370 6C 2s 0.012763 -0.093511 0.003180 0.026336 0.029631 -0.017039 6C 3s -0.055141 0.125905 -0.056297 -0.058944 -0.017058 -0.072536 6C 4s 0.168853 0.917600 0.398745 -0.070854 -0.405458 0.792797 6C 5s 0.165476 -1.239775 -0.503530 0.286081 -1.889648 1.995408 6C 1pz 0.009497 -0.010345 -0.018986 0.044014 0.040139 -0.007450 6C 1px -0.010388 -0.015475 0.023971 0.019689 0.001190 -0.032365 6C 1py -0.015289 0.050361 0.003450 0.032413 -0.008467 0.063633 6C 2pz -0.006701 -0.053663 -0.063339 0.191166 0.180460 -0.005473 6C 2px -0.034477 -0.013550 0.060599 0.070948 0.277058 0.027776 6C 2py 0.000310 0.227741 0.043427 0.078152 -0.036767 0.293961 6C 3pz -0.636322 -1.466194 0.390540 -0.430969 -1.610831 0.919633 6C 3px 2.108266 -1.025583 -2.086820 0.346848 -0.812757 0.329773 6C 3py 0.233307 2.095249 -0.022061 -1.125849 1.530744 -2.626143 6C 1dz2 -0.006435 0.012822 -0.002038 -0.006417 0.003242 -0.001758 6C 1dxz 0.001245 0.008863 -0.001025 -0.003433 0.000523 -0.008984 6C 1dyz -0.002929 0.014908 -0.006692 -0.005634 -0.006344 -0.005514 6C 1dx2y2 0.008049 -0.014787 0.000112 0.005510 -0.009441 0.006012 6C 1dxy -0.003493 0.000616 0.004017 -0.000798 0.001976 0.008597 6C 2dz2 -0.036274 0.010085 -0.010263 -0.019088 -0.044549 -0.073931 6C 2dxz -0.005939 -0.044349 -0.036197 0.000889 -0.076709 -0.001436 6C 2dyz -0.014690 0.076926 -0.059285 -0.027792 0.037464 -0.054133 6C 2dx2y2 0.059171 0.053740 -0.007124 -0.034557 -0.020300 -0.141454 6C 2dxy -0.021854 0.067965 0.036866 -0.028409 0.079215 -0.035885 6C 1f0 -0.001126 0.005064 0.005767 -0.001515 0.004022 0.001927 6C 1f+1 0.007452 0.000432 -0.000619 -0.002108 -0.006673 0.002123 6C 1f-1 -0.000619 -0.000574 0.000557 -0.003202 -0.001429 -0.003557 6C 1f+2 0.003042 0.004113 -0.003867 0.001466 0.000512 -0.004562 6C 1f-2 -0.000875 -0.000709 -0.007034 -0.001968 -0.001255 -0.011218 6C 1f+3 0.007656 -0.000812 -0.000353 0.001671 -0.007266 0.007015 6C 1f-3 -0.004428 -0.001809 -0.005657 -0.003374 0.004677 -0.008947 7C 1s -0.002233 -0.010859 -0.002838 -0.040943 0.005825 0.013638 7C 2s -0.005683 -0.024682 -0.006075 -0.091975 0.013060 0.029325 7C 3s 0.070309 0.049601 0.021841 0.130371 -0.001029 0.023566 7C 4s -0.389788 0.110699 -0.017288 0.843504 -0.212340 -0.672676 7C 5s 0.194425 -0.596006 0.059883 -1.027156 -1.929835 -2.126576 7C 1pz 0.024387 0.029375 0.021436 -0.038955 0.029606 0.029249 7C 1px -0.018185 0.022144 -0.013658 -0.020405 0.022055 -0.012052 7C 1py 0.004500 -0.056413 -0.006546 -0.024043 -0.010783 0.036702 7C 2pz 0.049042 0.089477 0.015968 -0.191898 0.228357 0.136071 7C 2px -0.007514 0.058837 -0.061385 -0.059268 -0.112691 0.058052 7C 2py 0.017835 -0.218261 -0.049967 -0.089764 -0.120098 0.294607 7C 3pz 0.053836 -1.281959 0.143256 -1.909484 -2.088386 -2.003615 7C 3px 1.822290 -0.618412 2.161693 -0.798435 -0.042766 -0.522677 7C 3py 0.840880 0.202238 0.937177 -1.593405 -0.562006 -2.160481 7C 1dz2 -0.002805 -0.000301 -0.003144 0.003597 0.000354 0.007064 7C 1dxz 0.004579 0.004426 0.002344 0.009430 0.009529 0.000723 7C 1dyz -0.002925 -0.003286 -0.001490 -0.012145 0.003390 0.003290 7C 1dx2y2 0.000129 -0.007308 -0.000675 -0.017335 -0.004050 -0.009280 7C 1dxy -0.000939 -0.004136 0.006101 -0.012526 0.004488 -0.006490 7C 2dz2 -0.009606 -0.041905 -0.033407 -0.056454 -0.138340 0.030075 7C 2dxz 0.039201 -0.021609 0.046643 -0.035045 -0.010979 -0.015036 7C 2dyz -0.037806 -0.034416 -0.025677 -0.088990 -0.018039 -0.095440 7C 2dx2y2 -0.031887 -0.001155 -0.014891 0.036079 0.000510 0.080822 7C 2dxy -0.011358 -0.002170 0.015996 -0.019990 0.030684 -0.026719 7C 1f0 -0.003748 0.000537 -0.002038 -0.000072 -0.000360 -0.004876 7C 1f+1 -0.004351 -0.002923 -0.000640 0.002447 -0.003233 -0.007419 7C 1f-1 -0.001805 -0.001795 -0.000109 -0.005062 -0.001798 -0.004798 7C 1f+2 0.007847 0.003472 0.006056 -0.000187 0.009961 0.003237 7C 1f-2 -0.000581 0.002919 -0.001205 -0.001921 -0.001993 -0.002164 7C 1f+3 0.003444 -0.002118 0.005011 -0.000541 0.004089 -0.000625 7C 1f-3 -0.001733 0.002124 0.003905 0.001006 0.002582 -0.009036 8C 1s -0.005173 0.018968 -0.005430 -0.005983 0.004965 -0.008752 8C 2s -0.010574 0.041235 -0.012175 -0.012951 0.009014 -0.018339 8C 3s -0.011347 -0.034366 0.016940 0.016265 0.028576 0.018480 8C 4s 0.279175 -0.561605 0.093835 0.154277 -0.371452 0.255229 8C 5s -0.931808 4.547622 0.565820 -1.480887 4.247421 -4.538202 8C 1pz -0.011201 0.063328 -0.000479 -0.042365 -0.032383 -0.021973 8C 1px 0.008882 0.027113 -0.015813 -0.016633 -0.021586 -0.010440 8C 1py 0.022539 -0.096614 0.012350 0.030156 0.019664 0.003406 8C 2pz -0.002299 0.041792 0.005883 -0.015641 -0.104626 0.099521 8C 2px 0.026635 -0.026744 0.003649 0.004077 -0.090873 -0.000598 8C 2py 0.035075 -0.018590 0.000801 0.002358 0.110040 -0.168498 8C 3pz 0.516869 -0.826098 -0.131859 0.924501 0.161425 0.848280 8C 3px -0.911826 -0.121604 0.779275 -0.033097 -0.121264 0.657810 8C 3py -0.221419 1.160926 0.307510 0.024694 0.951775 -0.539605 8C 1dz2 0.002759 0.000262 -0.001358 0.004185 0.001526 0.002859 8C 1dxz -0.002396 -0.000177 0.001769 0.000416 0.003287 0.002949 8C 1dyz -0.001481 -0.000429 0.002128 0.001664 -0.000644 0.003974 8C 1dx2y2 -0.005766 0.002082 0.001121 -0.001828 -0.000164 0.004405 8C 1dxy 0.005260 -0.000274 -0.006907 -0.000212 -0.003398 -0.000940 8C 2dz2 0.003031 0.006969 0.001277 0.018177 0.015632 0.028464 8C 2dxz -0.012829 0.052045 0.006146 -0.011005 0.006539 -0.015362 8C 2dyz -0.006793 -0.060819 0.018909 -0.007895 -0.010463 0.024192 8C 2dx2y2 0.009258 -0.068514 0.015254 0.059400 0.025065 0.062463 8C 2dxy 0.023567 -0.051598 0.009493 0.041413 -0.001623 0.026012 8C 1f0 -0.002375 0.002494 -0.002344 -0.004940 -0.001771 -0.003274 8C 1f+1 -0.001423 -0.000642 0.000070 -0.001863 -0.000581 -0.001156 8C 1f-1 -0.001100 0.003127 -0.000000 0.002414 0.000354 -0.001858 8C 1f+2 0.001786 -0.003460 0.001731 0.000283 -0.004015 -0.000104 8C 1f-2 0.002435 -0.000499 -0.000482 0.000054 -0.001945 0.000254 8C 1f+3 -0.000702 -0.003402 0.001122 -0.000163 0.000043 0.001128 8C 1f-3 -0.000539 0.002960 0.000083 -0.000235 0.001090 0.000895 9C 1s 0.001656 0.006803 0.000027 0.018497 0.004004 0.009811 9C 2s 0.004227 0.014653 0.000579 0.040368 0.008201 0.018823 9C 3s -0.026282 -0.013116 -0.019165 -0.037076 -0.004691 0.039850 9C 4s 0.083201 -0.203668 0.112607 -0.531385 -0.125096 -0.645888 9C 5s -0.977888 1.883848 -1.207852 4.246330 3.257889 5.817502 9C 1pz 0.024621 0.021715 0.008997 0.101618 -0.027046 -0.014571 9C 1px 0.017355 -0.002062 0.011480 0.004554 -0.000681 0.004938 9C 1py 0.016629 0.043411 0.017857 0.065734 0.010964 -0.024670 9C 2pz 0.023066 -0.022960 -0.001704 0.040765 -0.171503 -0.139110 9C 2px 0.007942 -0.000401 -0.007685 -0.045276 0.014647 -0.037889 9C 2py -0.000654 0.013789 0.025206 0.015602 -0.055806 -0.120673 9C 3pz 0.496021 -0.101404 0.466490 -1.239807 -0.269712 -1.082511 9C 3px -0.661122 0.323291 -0.818689 0.409467 -0.470824 -0.279901 9C 3py -0.156648 -0.864471 0.041794 -0.652290 -0.879302 -0.055488 9C 1dz2 0.002905 0.001850 0.003931 -0.002099 0.005144 -0.001913 9C 1dxz -0.005392 -0.001409 -0.004280 -0.000108 -0.000983 0.003411 9C 1dyz -0.000090 -0.000247 -0.000209 0.000835 0.000671 0.003194 9C 1dx2y2 -0.002073 0.001872 -0.001047 0.001926 0.000757 -0.003134 9C 1dxy -0.001997 0.003303 -0.005392 0.001409 -0.001008 0.001372 9C 2dz2 0.025824 0.049699 0.020967 0.049424 0.038173 -0.019411 9C 2dxz -0.000423 0.047151 -0.014010 0.053716 0.012613 -0.003010 9C 2dyz 0.033010 0.012689 0.025553 0.073503 0.006384 0.025645 9C 2dx2y2 0.005313 -0.002005 -0.001650 -0.059701 0.005419 -0.015397 9C 2dxy -0.005473 -0.014304 0.001048 0.009795 -0.003000 0.007068 9C 1f0 -0.001484 -0.002808 -0.000243 0.001222 0.000674 0.000602 9C 1f+1 -0.000694 0.000939 -0.001451 -0.002719 0.000991 -0.002102 9C 1f-1 -0.002267 -0.001037 -0.001680 -0.002156 -0.000070 0.003423 9C 1f+2 0.001625 -0.001771 0.001948 -0.001119 -0.000348 -0.003746 9C 1f-2 -0.002030 -0.001283 -0.001628 0.002051 0.000106 0.004368 9C 1f+3 -0.001485 -0.004143 -0.000166 -0.004666 -0.001521 -0.002404 9C 1f-3 -0.000458 0.001328 -0.000940 -0.002434 -0.000102 -0.001871 10H 1s 0.013561 -0.005891 0.015094 -0.008955 -0.010560 0.003499 10H 2s 0.010877 -0.079403 0.005255 -0.094320 -0.056671 0.068853 10H 3s -0.250716 0.066341 -0.272371 -0.053518 0.602747 0.668369 10H 1pz -0.011661 -0.000862 -0.010974 -0.004430 0.000481 -0.005779 10H 1px -0.002423 0.008042 -0.001417 0.009408 0.008111 0.002253 10H 1py -0.002906 -0.007127 -0.008308 -0.001112 -0.002259 0.002732 11H 1s -0.009194 -0.000788 0.000320 -0.004626 -0.010814 -0.002709 11H 2s -0.037923 0.152558 0.065160 -0.015614 0.009687 -0.068177 11H 3s 0.095362 0.389021 0.274683 0.622443 0.281882 0.523349 11H 1pz 0.000241 0.013489 0.002290 -0.003994 0.009293 -0.013099 11H 1px 0.000918 0.007350 0.002047 -0.000376 0.001673 -0.009119 11H 1py 0.005662 0.002734 0.002586 0.004711 0.004618 0.001973 12H 1s -0.002404 0.000134 -0.014509 -0.010837 0.009676 -0.017897 12H 2s 0.075605 -0.092205 -0.031167 -0.032401 0.017109 -0.029437 12H 3s 0.298128 0.102078 0.294183 0.579684 -0.124748 1.055678 12H 1pz 0.004797 -0.003103 0.009997 0.007151 -0.009971 0.013236 12H 1px 0.003630 0.000265 0.004808 0.001660 -0.001379 -0.005015 12H 1py 0.003234 -0.013760 -0.001342 -0.005277 -0.007792 -0.000620 13H 1s 0.014251 -0.008698 -0.021857 0.002686 0.005181 0.015748 13H 2s -0.009769 -0.054686 -0.088306 0.079446 0.096260 0.137256 13H 3s -0.285595 0.094936 0.233286 0.076244 0.512466 -0.667576 13H 1pz -0.007653 -0.004574 -0.000055 0.011250 0.002567 0.012059 13H 1px -0.002804 0.006969 0.003687 -0.002232 0.000589 -0.010397 13H 1py 0.010585 0.000598 -0.010814 -0.000128 0.003577 -0.000097 14H 1s -0.018741 -0.013374 -0.000144 0.003589 -0.015610 -0.011171 14H 2s -0.081872 -0.047320 -0.094231 0.097223 -0.026904 -0.059543 14H 3s 0.441361 0.502481 -0.330466 -0.137663 0.743973 -0.081766 14H 1pz -0.004831 -0.002633 -0.002923 0.011977 0.005829 0.008700 14H 1px -0.002061 -0.003997 -0.004155 0.005347 -0.004086 0.001498 14H 1py -0.012597 -0.007879 0.007549 0.000383 -0.009180 -0.006958 15H 1s 0.001717 -0.004678 0.004347 -0.002668 -0.003168 0.009890 15H 2s 0.057388 -0.039974 -0.007004 -0.177745 -0.065835 -0.052928 15H 3s 0.341682 0.618025 0.012712 -0.421156 0.194382 -0.595183 15H 1pz 0.001950 0.003891 -0.003990 0.000773 0.001952 -0.006081 15H 1px 0.001279 -0.000350 -0.003048 -0.006013 -0.004311 -0.006523 15H 1py -0.000533 0.006455 0.003943 0.014441 0.010694 0.011201 16H 1s -0.038962 -0.009573 -0.016159 -0.003892 -0.042920 -0.010075 16H 2s -0.323457 -0.097364 -0.103807 -0.030155 -0.568844 -0.032535 16H 3s 0.028413 0.023564 -0.053077 0.041615 0.338803 -0.143934 16H 1pz -0.019206 -0.008049 -0.004896 -0.003465 -0.037109 0.002478 16H 1px -0.007879 -0.002076 -0.003785 0.001958 0.005594 -0.006937 16H 1py -0.005356 0.000862 -0.004369 -0.001701 -0.010136 0.000568 17H 1s 0.039578 0.008692 -0.008798 -0.006559 0.041353 -0.000947 17H 2s 0.333969 0.032042 0.036298 -0.066397 0.486924 0.050208 17H 3s -0.135550 -0.061070 -0.168169 -0.022842 -0.239380 -0.163056 17H 1pz -0.020335 -0.004151 -0.001538 0.000219 -0.020911 -0.001503 17H 1px -0.007068 -0.001687 -0.011067 0.001426 -0.020783 -0.008349 17H 1py 0.009690 0.000105 0.000214 -0.004171 0.010898 0.001960 18H 1s 0.039852 -0.008332 -0.007844 0.006902 -0.041469 -0.000668 18H 2s 0.328326 -0.028802 0.043060 0.068222 -0.481702 -0.076817 18H 3s -0.118679 0.062817 -0.164019 0.027368 0.231329 0.195170 18H 1pz 0.020623 -0.004101 0.001856 0.000345 -0.021058 -0.002586 18H 1px 0.006195 -0.001666 0.010916 0.001302 -0.020031 -0.010314 18H 1py -0.009005 -0.000207 -0.000406 -0.004154 0.010063 0.002336 19H 1s -0.038775 0.010250 -0.016652 0.004662 0.042668 0.011957 19H 2s -0.324821 0.106206 -0.108652 0.035624 0.561491 0.070270 19H 3s 0.037884 -0.024613 -0.053677 -0.038706 -0.333119 0.121605 19H 1pz 0.019094 -0.008493 0.004984 -0.003593 -0.036168 -0.000457 19H 1px 0.007436 -0.001987 0.003903 0.001831 0.005495 -0.005804 19H 1py 0.005904 0.000414 0.004883 -0.002152 -0.010756 -0.000101 20H 1s 0.002194 0.004516 0.004670 0.002326 0.003063 -0.008545 20H 2s 0.059135 0.039865 0.000554 0.175285 0.063556 0.062806 20H 3s 0.351905 -0.616495 0.002855 0.420968 -0.187470 0.563384 20H 1pz -0.001925 0.003812 0.004242 0.000491 0.001898 -0.005518 20H 1px -0.001461 -0.000467 0.002820 -0.006144 -0.004315 -0.006413 20H 1py 0.000193 0.006553 -0.003253 0.014395 0.010396 0.011441 21H 1s -0.018363 0.013177 -0.000023 -0.003472 0.015470 0.011453 21H 2s -0.076693 0.049148 -0.095662 -0.092539 0.024841 0.060984 21H 3s 0.443513 -0.495933 -0.336031 0.151179 -0.734960 0.055357 21H 1pz 0.004816 -0.002745 0.003180 0.011808 0.005918 0.008523 21H 1px 0.001604 -0.004067 0.004094 0.005111 -0.003897 0.001127 21H 1py 0.012697 -0.007574 -0.007622 0.000608 -0.009277 -0.006891 22H 1s 0.013687 0.009387 -0.021516 -0.001761 -0.005704 -0.015495 22H 2s -0.017174 0.057022 -0.088893 -0.074629 -0.100104 -0.137314 22H 3s -0.293187 -0.103687 0.219234 -0.087580 -0.506975 0.662355 22H 1pz 0.007897 -0.004523 0.000200 0.011089 0.002609 0.011936 22H 1px 0.002373 0.007169 -0.003503 -0.002117 0.000337 -0.010138 22H 1py -0.010617 0.000266 0.010714 -0.000555 0.003659 -0.000152 23H 1s -0.002138 0.000305 -0.013608 0.011044 -0.009513 0.018450 23H 2s 0.078643 0.094477 -0.023300 0.030045 -0.014548 0.033860 23H 3s 0.290910 -0.114183 0.264240 -0.596775 0.124277 -1.034290 23H 1pz -0.004628 -0.002859 -0.009566 0.007398 -0.009918 0.013075 23H 1px -0.003472 0.000332 -0.004821 0.001959 -0.001508 -0.005296 23H 1py -0.003567 -0.013858 0.000533 -0.005072 -0.007910 -0.000425 24H 1s -0.009524 0.000955 0.000353 0.004961 0.010739 0.004210 24H 2s -0.042044 -0.151601 0.060799 0.016536 -0.008002 0.077258 24H 3s 0.096202 -0.398274 0.246144 -0.629758 -0.283968 -0.519054 24H 1pz 0.000025 0.013360 -0.001960 -0.004078 0.009084 -0.012571 24H 1px -0.000674 0.007225 -0.001888 -0.000490 0.001413 -0.009426 24H 1py -0.005752 0.002982 -0.002532 0.004979 0.004607 0.001841 25H 1s 0.013148 0.005261 0.015315 0.008339 0.010590 -0.004910 25H 2s 0.011030 0.075241 0.009115 0.093487 0.055171 -0.091722 25H 3s -0.228110 -0.059405 -0.264161 0.066708 -0.606944 -0.642817 25H 1pz 0.011538 -0.001011 0.010758 -0.004968 0.000613 -0.005030 25H 1px 0.002279 0.007882 0.001735 0.009308 0.008063 0.000962 25H 1py 0.002816 -0.007138 0.008091 -0.001169 -0.002021 0.002917 26O 1s 0.000567 -0.002999 -0.000954 -0.010422 -0.001346 -0.000316 26O 2s 0.000492 -0.007403 -0.003706 -0.026339 -0.002755 -0.002086 26O 3s 0.011982 0.012645 0.028671 0.053426 -0.004334 0.027762 26O 4s -0.101323 0.024986 -0.125612 0.019434 0.051804 -0.087692 26O 5s 0.878599 0.176969 0.864347 0.815718 0.236017 0.222301 26O 1pz -0.031884 0.011022 -0.047639 -0.049534 0.029086 0.036895 26O 1px -0.006130 -0.023458 -0.027950 -0.124573 -0.006091 -0.006280 26O 1py -0.028723 -0.052016 -0.026610 -0.056408 0.070002 -0.001977 26O 2pz -0.019491 -0.006815 -0.020518 -0.062823 0.002555 0.052163 26O 2px -0.010522 -0.029956 -0.006699 -0.131390 -0.037102 0.024369 26O 2py -0.023941 -0.040147 -0.012983 -0.069726 0.066263 -0.003696 26O 3pz -0.223180 0.093786 -0.373794 -0.036234 0.252001 0.006405 26O 3px -0.309902 -0.075539 -0.265673 -0.560597 -0.076113 0.173438 26O 3py -0.327767 -0.190749 -0.186962 -0.193066 0.038164 0.170936 26O 1dz2 -0.000342 -0.000111 0.001002 0.003206 -0.000053 -0.003240 26O 1dxz -0.000182 -0.001302 0.000847 0.000276 -0.000993 -0.000411 26O 1dyz 0.001148 0.000592 0.000407 0.001209 -0.000976 -0.000601 26O 1dx2y2 -0.001149 -0.001932 0.002198 -0.002348 -0.000377 0.005956 26O 1dxy 0.000485 0.001014 0.000782 -0.002490 0.000493 0.002115 26O 2dz2 -0.010524 -0.001513 -0.010377 -0.000273 0.005978 -0.008937 26O 2dxz 0.005306 0.000614 0.008046 0.004508 0.012913 -0.002552 26O 2dyz -0.003482 0.001238 -0.000917 0.001777 -0.006197 0.004197 26O 2dx2y2 0.011788 -0.001967 0.008291 0.000107 0.011659 -0.015223 26O 2dxy 0.020293 0.001857 0.002814 0.001589 0.015018 -0.012241 26O 1f0 0.000337 0.000395 0.000225 0.001003 0.001595 -0.000963 26O 1f+1 0.000543 -0.000229 -0.000216 -0.000294 0.000006 -0.001080 26O 1f-1 0.000110 -0.000243 -0.000379 -0.000657 0.000275 0.000055 26O 1f+2 -0.000270 0.000013 -0.000017 -0.000077 -0.000971 0.000294 26O 1f-2 -0.000623 -0.000698 -0.000605 -0.001848 -0.000102 -0.000213 26O 1f+3 0.000232 -0.000338 -0.000126 -0.000833 0.000969 -0.002134 26O 1f-3 0.001015 0.000167 0.000343 0.000951 0.000208 -0.001245 27O 1s -0.004277 -0.009883 -0.001208 0.003820 -0.001318 -0.000836 27O 2s -0.011913 -0.025118 -0.001974 0.009444 -0.004586 -0.002186 27O 3s 0.044833 0.053192 -0.012403 -0.016495 0.032829 0.002876 27O 4s -0.093227 0.009122 0.114512 -0.029652 -0.095102 -0.012551 27O 5s 0.574037 0.756213 -0.710383 -0.194688 0.164345 0.035653 27O 1pz -0.025298 0.001538 0.035429 0.047735 -0.004308 -0.047888 27O 1px -0.063170 -0.130232 0.007745 0.053197 -0.009090 -0.015404 27O 1py 0.052119 0.053874 -0.031417 -0.000602 -0.053877 0.014491 27O 2pz -0.016083 -0.009557 0.020647 0.040062 -0.016520 -0.063354 27O 2px -0.020986 -0.135406 -0.008917 0.050439 0.013916 -0.029214 27O 2py 0.011714 0.063651 -0.009794 -0.014534 -0.066531 -0.004179 27O 3pz -0.158170 0.090218 0.252791 0.118966 0.114782 0.011605 27O 3px -0.179897 -0.563983 0.347724 0.174303 0.335364 -0.090878 27O 3py 0.419089 0.108632 -0.303347 0.049413 -0.181644 0.230589 27O 1dz2 -0.002161 0.001398 -0.000344 -0.000525 -0.002043 0.001805 27O 1dxz -0.000905 0.000387 -0.001331 -0.001840 -0.002553 0.000085 27O 1dyz -0.000812 -0.001248 0.001052 0.001100 0.001047 0.000166 27O 1dx2y2 0.000673 -0.004156 -0.001218 -0.000180 0.005658 -0.003955 27O 1dxy -0.001211 -0.000078 0.000443 -0.001040 -0.000832 -0.000550 27O 2dz2 0.002359 0.002028 0.011735 -0.002692 0.023380 0.009608 27O 2dxz -0.003162 0.002232 -0.005098 -0.001791 0.008006 -0.004479 27O 2dyz 0.005324 -0.000789 -0.007379 0.001460 -0.004305 -0.006619 27O 2dx2y2 0.002409 -0.000362 -0.013519 -0.000896 -0.011847 0.019352 27O 2dxy -0.003050 -0.004264 0.003979 -0.000880 0.001447 0.000752 27O 1f0 0.000632 0.001157 -0.000322 -0.000335 0.000789 0.000648 27O 1f+1 -0.000053 0.000633 -0.000373 -0.000035 -0.001536 0.000703 27O 1f-1 0.000071 -0.000443 0.000023 0.000170 -0.000259 -0.000307 27O 1f+2 0.000113 -0.000065 -0.000230 0.000037 -0.001461 0.000276 27O 1f-2 0.000634 0.001148 -0.000007 -0.000525 -0.000153 0.000320 27O 1f+3 -0.000777 -0.000924 -0.000277 0.000464 -0.000660 0.002123 27O 1f-3 -0.000180 -0.001252 0.000452 0.000421 0.001332 0.001075 28O 1s -0.000154 -0.003365 -0.000682 -0.008720 -0.003962 0.001903 28O 2s 0.000740 -0.008263 -0.000738 -0.021612 -0.011183 0.004286 28O 3s -0.020327 0.013720 -0.014848 0.036648 0.044821 0.002052 28O 4s 0.085199 0.033486 0.083054 0.063224 -0.085759 -0.047983 28O 5s -0.240907 0.092348 -0.259549 0.460577 0.405244 0.129222 28O 1pz 0.035251 -0.005678 0.048954 -0.102446 0.005201 0.053688 28O 1px -0.014228 0.045538 0.001011 0.078279 0.022102 -0.000584 28O 1py 0.034079 -0.054403 0.020842 -0.007832 0.033016 0.017651 28O 2pz -0.012726 -0.007158 -0.012700 -0.115051 0.009611 0.067846 28O 2px -0.005355 0.041503 0.007219 0.078868 0.008552 -0.007721 28O 2py 0.004767 -0.056853 0.000281 -0.013083 0.026611 0.014206 28O 3pz 0.303285 -0.007607 0.532236 -0.374315 0.286246 0.130036 28O 3px 0.157054 0.140784 0.195891 0.451304 -0.122336 -0.049935 28O 3py 0.364819 -0.099844 0.233462 -0.021919 0.149198 0.151150 28O 1dz2 0.001144 -0.001304 -0.001263 0.001504 -0.001349 0.000121 28O 1dxz 0.001958 0.000418 0.000635 0.003620 -0.003421 -0.003696 28O 1dyz -0.001875 0.001447 -0.000629 0.000971 -0.000093 -0.001411 28O 1dx2y2 -0.001250 -0.000055 -0.002602 -0.002701 0.004108 0.002862 28O 1dxy -0.000675 -0.001356 -0.001056 0.000742 -0.001467 0.001105 28O 2dz2 0.002959 -0.002016 -0.001354 0.002013 0.013799 -0.007436 28O 2dxz -0.001379 0.002052 0.006317 -0.005290 0.022534 -0.003915 28O 2dyz 0.005117 0.000750 0.009018 -0.000797 -0.006645 0.008734 28O 2dx2y2 -0.001368 -0.001018 0.002140 -0.000659 -0.000629 -0.022192 28O 2dxy 0.006800 -0.002967 0.001457 -0.001578 -0.003973 0.000134 28O 1f0 0.000179 -0.000310 0.000298 -0.000703 -0.001096 -0.000482 28O 1f+1 0.000209 0.000137 -0.000014 0.001164 0.000314 -0.000873 28O 1f-1 0.000799 -0.000543 0.000657 -0.002029 0.001408 -0.000156 28O 1f+2 -0.000759 0.000331 -0.000416 0.000484 0.001448 0.000718 28O 1f-2 0.000303 0.000319 0.000416 0.000814 -0.000910 0.001353 28O 1f+3 -0.000295 0.000254 0.000094 0.000069 0.000496 0.001480 28O 1f-3 0.000048 0.000053 -0.000253 0.000145 -0.000625 0.000784 29O 1s 0.001137 -0.000315 -0.004883 -0.000782 -0.000290 -0.004934 29O 2s 0.002586 -0.000850 -0.011940 -0.001782 -0.000616 -0.012167 29O 3s -0.001632 0.002327 0.021658 0.000218 -0.001502 0.024433 29O 4s -0.020479 -0.009130 0.023309 0.012175 0.008221 0.019332 29O 5s 0.014531 0.076499 0.116786 0.032023 0.029069 0.114654 29O 1pz 0.009099 0.001466 0.002795 0.005435 -0.049700 -0.019128 29O 1px 0.004338 0.006016 0.027444 0.006429 -0.026896 0.045698 29O 1py -0.018152 -0.001390 0.084984 0.017617 -0.002221 0.059432 29O 2pz -0.026016 -0.018301 -0.012907 -0.004277 -0.133560 -0.041210 29O 2px -0.014642 0.003614 0.050059 0.008413 -0.060347 0.099201 29O 2py -0.022232 0.010039 0.122500 0.008866 -0.006125 0.129459 29O 3pz -0.229658 0.015244 -0.028840 0.070156 -0.372327 0.044339 29O 3px -0.053401 0.009226 -0.112939 0.033543 -0.111919 -0.237761 29O 3py 0.035764 -0.091780 -0.070203 0.020972 0.035806 -0.214577 29O 1dz2 -0.004875 -0.001353 -0.000610 -0.000661 -0.004993 0.000557 29O 1dxz 0.004862 0.001150 0.001115 -0.000028 0.003927 0.001088 29O 1dyz -0.005631 -0.000839 -0.002145 0.000008 -0.008187 -0.000597 29O 1dx2y2 0.001572 0.000794 0.000139 0.000150 0.001141 0.000147 29O 1dxy -0.003064 -0.000925 0.001948 0.001561 -0.003290 -0.000689 29O 2dz2 0.001835 0.000294 -0.000030 0.000903 0.020252 -0.002888 29O 2dxz 0.000252 0.000286 -0.003402 0.000618 -0.019860 -0.000971 29O 2dyz 0.010804 0.001662 0.000003 -0.002402 0.024421 -0.000662 29O 2dx2y2 -0.000625 -0.000714 -0.003417 -0.000517 -0.007120 -0.004268 29O 2dxy 0.003285 -0.000365 0.015419 0.000555 0.008396 0.008485 29O 1f0 -0.000445 -0.000292 -0.000190 -0.000223 -0.001662 -0.000000 29O 1f+1 -0.000403 -0.000046 0.000097 0.000159 -0.001517 0.000067 29O 1f-1 -0.000755 -0.000456 0.000688 -0.000059 -0.002464 0.000697 29O 1f+2 0.000095 0.000264 0.000226 0.000239 0.000998 0.000059 29O 1f-2 0.001280 0.000154 0.000989 -0.000239 0.002978 0.000672 29O 1f+3 -0.000248 0.000031 -0.001023 -0.000234 -0.000962 -0.000368 29O 1f-3 -0.000664 0.000077 -0.000533 -0.000035 -0.001454 -0.000276 30O 1s -0.002291 -0.009892 0.001587 0.001454 -0.000429 0.002205 30O 2s -0.004607 -0.024571 0.002805 0.003462 -0.001098 0.006648 30O 3s -0.007137 0.042469 0.014261 -0.003550 0.003229 -0.033761 30O 4s 0.113314 0.058002 -0.092608 -0.034148 -0.008008 0.052920 30O 5s -0.742917 0.656688 0.197785 0.029885 0.414677 -0.168685 30O 1pz 0.009159 -0.051317 -0.052140 0.070151 0.027758 -0.004755 30O 1px 0.023900 0.077883 0.011735 -0.012523 0.014099 -0.036752 30O 1py -0.030188 0.088998 0.043352 -0.002893 -0.065108 -0.010804 30O 2pz 0.003311 -0.061724 -0.008884 0.068015 0.022818 -0.020687 30O 2px 0.006843 0.082936 0.003853 -0.005813 0.026543 -0.019588 30O 2py 0.001364 0.107494 -0.017034 -0.006980 -0.049539 -0.004982 30O 3pz 0.209102 -0.290313 -0.353417 0.178911 -0.000184 -0.093926 30O 3px 0.056067 0.501197 -0.289836 -0.048603 0.135957 0.157332 30O 3py -0.506478 0.309546 0.441872 -0.006297 -0.106021 0.186279 30O 1dz2 0.001865 -0.000041 -0.000535 -0.001556 -0.000919 0.000336 30O 1dxz 0.000815 0.003865 -0.000988 0.000318 0.000338 0.004913 30O 1dyz 0.000324 0.000855 -0.002958 0.001225 0.000024 0.001825 30O 1dx2y2 -0.000241 -0.002576 0.002237 -0.000193 0.001559 -0.003809 30O 1dxy 0.000334 -0.003186 0.000296 0.001262 0.001899 -0.002540 30O 2dz2 0.002414 0.000840 0.005741 -0.003537 0.010216 0.006596 30O 2dxz 0.011462 -0.001967 -0.003804 0.001151 -0.000476 0.001335 30O 2dyz 0.002109 -0.004658 0.007155 0.000647 -0.015278 -0.021837 30O 2dx2y2 -0.002192 -0.000642 -0.002856 -0.001044 0.004197 0.016580 30O 2dxy -0.019099 0.007311 0.000417 0.000778 0.014501 0.011302 30O 1f0 -0.000622 0.001234 0.000280 -0.000317 -0.000635 0.000750 30O 1f+1 -0.000255 0.000336 -0.000081 -0.000019 0.001166 0.001471 30O 1f-1 0.000081 0.001034 0.000439 -0.000473 0.000548 0.000451 30O 1f+2 0.000057 0.001810 0.001274 -0.000930 0.000086 -0.000949 30O 1f-2 0.000228 -0.000922 0.000571 -0.000008 -0.001068 -0.002031 30O 1f+3 0.000000 0.000481 -0.000361 0.000096 0.000104 -0.001030 30O 1f-3 0.000366 0.000524 0.000602 -0.000494 0.000218 -0.001215 31O 1s -0.002173 0.009891 0.001928 -0.001454 0.000562 -0.001933 31O 2s -0.004312 0.024609 0.003672 -0.003417 0.001415 -0.005934 31O 3s -0.007765 -0.043230 0.012368 0.002725 -0.003521 0.031639 31O 4s 0.114121 -0.054714 -0.092303 0.037419 0.007072 -0.051725 31O 5s -0.754000 -0.668538 0.170335 -0.041077 -0.434013 0.190029 31O 1pz -0.007438 -0.053224 0.052550 0.067693 0.028652 -0.008653 31O 1px -0.023656 0.078110 -0.009585 -0.011959 0.013782 -0.030993 31O 1py 0.028639 0.090630 -0.040035 -0.001229 -0.066063 -0.005526 31O 2pz -0.002225 -0.062332 0.008867 0.067099 0.022796 -0.023116 31O 2px -0.006444 0.083143 -0.001510 -0.005560 0.027105 -0.016305 31O 2py -0.001755 0.107150 0.020396 -0.007410 -0.048325 -0.002260 31O 3pz -0.202182 -0.301760 0.351833 0.165880 0.001861 -0.094120 31O 3px -0.051806 0.492031 0.302581 -0.058942 0.146483 0.159980 31O 3py 0.493484 0.325012 -0.431463 0.009423 -0.116289 0.198341 31O 1dz2 0.001833 0.000058 -0.000464 0.001570 0.000877 -0.000329 31O 1dxz 0.000816 -0.003825 -0.001091 -0.000278 -0.000388 -0.004877 31O 1dyz 0.000263 -0.000764 -0.003026 -0.001111 -0.000091 -0.001686 31O 1dx2y2 -0.000210 0.002513 0.002317 0.000101 -0.001516 0.004027 31O 1dxy 0.000367 0.003173 0.000345 -0.001272 -0.001875 0.002524 31O 2dz2 0.002389 -0.000978 0.005843 0.003298 -0.010050 -0.006858 31O 2dxz 0.011491 0.002232 -0.003864 -0.001065 0.000851 -0.002289 31O 2dyz 0.002223 0.004518 0.007156 -0.000848 0.015799 0.020898 31O 2dx2y2 -0.001815 0.000706 -0.002689 0.001095 -0.004316 -0.015782 31O 2dxy -0.018963 -0.007463 0.000314 -0.000811 -0.014709 -0.010810 31O 1f0 0.000605 0.001249 -0.000260 -0.000311 -0.000639 0.000776 31O 1f+1 0.000264 0.000334 0.000087 -0.000020 0.001170 0.001471 31O 1f-1 -0.000098 0.001043 -0.000429 -0.000447 0.000538 0.000462 31O 1f+2 -0.000098 0.001840 -0.001245 -0.000883 0.000037 -0.000861 31O 1f-2 -0.000245 -0.000909 -0.000588 0.000011 -0.001110 -0.001987 31O 1f+3 0.000035 0.000470 0.000385 0.000082 0.000120 -0.001012 31O 1f-3 -0.000392 0.000532 -0.000594 -0.000474 0.000182 -0.001162 32O 1s 0.001171 0.000452 -0.004851 0.000990 0.000170 0.004442 32O 2s 0.002696 0.001176 -0.011864 0.002288 0.000328 0.010966 32O 3s -0.002320 -0.002684 0.021540 -0.001040 0.001893 -0.022372 32O 4s -0.018769 0.008198 0.023140 -0.013265 -0.006964 -0.013817 32O 5s 0.012809 -0.083618 0.115654 -0.039166 -0.026997 -0.120183 32O 1pz -0.009710 0.001158 -0.000972 0.005245 -0.049608 -0.023848 32O 1px -0.003082 0.006445 -0.026045 0.007252 -0.027217 0.044957 32O 1py 0.020414 0.001067 -0.084477 0.020754 -0.004446 0.058511 32O 2pz 0.024993 -0.019303 0.015485 -0.005009 -0.132375 -0.051994 32O 2px 0.015985 0.004542 -0.048075 0.010225 -0.060795 0.092896 32O 2py 0.026890 0.012840 -0.121513 0.013117 -0.011287 0.127076 32O 3pz 0.229046 0.013321 0.035527 0.070296 -0.368479 0.018131 32O 3px 0.050882 0.009655 0.114717 0.030467 -0.105009 -0.225340 32O 3py -0.030397 -0.097428 0.070193 0.017560 0.028744 -0.213938 32O 1dz2 -0.004647 0.001371 -0.000576 0.000712 0.004599 -0.000271 32O 1dxz 0.004969 -0.001165 0.001173 0.000017 -0.004077 -0.001166 32O 1dyz -0.005698 0.000949 -0.002238 0.000065 0.008224 0.001083 32O 1dx2y2 0.001732 -0.000844 0.000168 -0.000145 -0.001361 -0.000298 32O 1dxy -0.002932 0.000799 0.001915 -0.001645 0.003120 0.000769 32O 2dz2 0.001352 -0.000384 -0.000088 -0.000919 -0.018541 0.001271 32O 2dxz 0.000293 -0.000235 -0.003727 -0.000643 0.019896 0.003269 32O 2dyz 0.010953 -0.001796 0.000264 0.002451 -0.024475 -0.001032 32O 2dx2y2 -0.000603 0.000888 -0.003637 0.000647 0.007544 0.004880 32O 2dxy 0.002355 0.000180 0.015158 -0.000978 -0.007431 -0.008886 32O 1f0 0.000422 -0.000305 0.000242 -0.000236 -0.001527 -0.000157 32O 1f+1 0.000424 -0.000030 -0.000061 0.000190 -0.001546 -0.000080 32O 1f-1 0.000816 -0.000473 -0.000669 -0.000047 -0.002469 0.000513 32O 1f+2 -0.000091 0.000300 -0.000171 0.000257 0.000984 0.000121 32O 1f-2 -0.001211 0.000171 -0.001030 -0.000207 0.002920 0.000914 32O 1f+3 0.000148 0.000021 0.000977 -0.000267 -0.000824 -0.000422 32O 1f-3 0.000648 0.000058 0.000569 -0.000060 -0.001447 -0.000373 33O 1s -0.000487 0.003307 -0.000350 0.008741 0.003943 -0.001600 33O 2s -0.000118 0.008101 0.000061 0.021633 0.011142 -0.003522 33O 3s -0.018277 -0.013118 -0.015792 -0.036162 -0.044905 -0.003390 33O 4s 0.083840 -0.034480 0.078245 -0.065715 0.085911 0.050597 33O 5s -0.202818 -0.083706 -0.269053 -0.455133 -0.392276 -0.209547 33O 1pz -0.035018 -0.003719 -0.052667 -0.100737 0.005020 0.051960 33O 1px 0.012749 0.045461 0.003041 0.078079 0.021898 0.004556 33O 1py -0.033414 -0.053783 -0.022436 -0.007020 0.033360 0.017098 33O 2pz 0.013492 -0.006496 0.008274 -0.115559 0.010727 0.064079 33O 2px 0.003331 0.041728 -0.003320 0.079089 0.008034 -0.001423 33O 2py -0.004154 -0.056797 -0.001713 -0.013055 0.026964 0.013163 33O 3pz -0.298125 0.006205 -0.546843 -0.356294 0.283590 0.101390 33O 3px -0.167254 0.145403 -0.174123 0.458761 -0.130559 0.000055 33O 3py -0.363064 -0.094074 -0.240363 -0.013431 0.149666 0.147476 33O 1dz2 0.001112 0.001345 -0.001276 -0.001471 0.001333 -0.000284 33O 1dxz 0.001973 -0.000444 0.000456 -0.003647 0.003425 0.003446 33O 1dyz -0.001887 -0.001433 -0.000723 -0.000939 0.000104 0.001211 33O 1dx2y2 -0.001301 0.000134 -0.002473 0.002793 -0.004176 -0.002459 33O 1dxy -0.000638 0.001386 -0.001058 -0.000706 0.001439 -0.000919 33O 2dz2 0.002894 0.002020 -0.001352 -0.002038 -0.013807 0.006401 33O 2dxz -0.001865 -0.002250 0.006524 0.005150 -0.022852 0.005777 33O 2dyz 0.005147 -0.001008 0.008934 0.000474 0.006794 -0.009496 33O 2dx2y2 -0.001146 0.000921 0.002208 0.000426 0.000901 0.021675 33O 2dxy 0.006644 0.003007 0.001571 0.001596 0.003770 0.001045 33O 1f0 -0.000189 -0.000300 -0.000330 -0.000694 -0.001118 -0.000438 33O 1f+1 -0.000219 0.000134 0.000073 0.001165 0.000309 -0.000724 33O 1f-1 -0.000794 -0.000528 -0.000761 -0.002005 0.001393 -0.000161 33O 1f+2 0.000792 0.000319 0.000443 0.000462 0.001472 0.000568 33O 1f-2 -0.000324 0.000327 -0.000373 0.000829 -0.000931 0.001438 33O 1f+3 0.000287 0.000256 -0.000087 0.000068 0.000506 0.001445 33O 1f-3 -0.000067 0.000049 0.000255 0.000137 -0.000635 0.000852 34O 1s -0.004070 0.009905 -0.001053 -0.003768 0.001247 0.001628 34O 2s -0.011389 0.025129 -0.001585 -0.009360 0.004396 0.004152 34O 3s 0.043684 -0.052508 -0.013081 0.017050 -0.032211 -0.006696 34O 4s -0.093185 -0.013712 0.113758 0.024677 0.095192 0.007169 34O 5s 0.563962 -0.725676 -0.719884 0.223846 -0.175936 -0.003007 34O 1pz 0.026235 0.002854 -0.033017 0.048615 -0.004489 -0.046535 34O 1px 0.063335 -0.129835 -0.010028 0.053271 -0.008576 -0.024415 34O 1py -0.053485 0.052624 0.033141 -0.002082 -0.053404 0.015074 34O 2pz 0.016904 -0.008763 -0.018804 0.040133 -0.016546 -0.061854 34O 2px 0.020681 -0.135498 0.006307 0.049760 0.014287 -0.036000 34O 2py -0.012785 0.063398 0.011536 -0.015106 -0.065784 -0.002331 34O 3pz 0.162779 0.099079 -0.245059 0.129310 0.113282 0.015238 34O 3px 0.180828 -0.551200 -0.360168 0.187608 0.321202 -0.078334 34O 3py -0.425110 0.095950 0.307626 0.036448 -0.177544 0.204098 34O 1dz2 -0.002150 -0.001395 -0.000377 0.000532 0.002018 -0.001881 34O 1dxz -0.000961 -0.000361 -0.001282 0.001875 0.002518 -0.000197 34O 1dyz -0.000854 0.001207 0.001051 -0.001141 -0.001064 -0.000135 34O 1dx2y2 0.000645 0.004194 -0.001059 0.000221 -0.005590 0.003948 34O 1dxy -0.001248 0.000071 0.000483 0.001027 0.000866 0.000583 34O 2dz2 0.002625 -0.002402 0.011860 0.002183 -0.023010 -0.010664 34O 2dxz -0.003004 -0.002114 -0.005064 0.001958 -0.008070 0.003940 34O 2dyz 0.005101 0.001070 -0.007450 -0.001128 0.004178 0.006647 34O 2dx2y2 0.002279 0.000885 -0.013511 0.001408 0.011381 -0.017535 34O 2dxy -0.003116 0.004090 0.004165 0.000709 -0.001124 -0.001841 34O 1f0 -0.000660 0.001142 0.000345 -0.000345 0.000783 0.000686 34O 1f+1 0.000062 0.000625 0.000398 -0.000053 -0.001503 0.000659 34O 1f-1 -0.000056 -0.000441 -0.000029 0.000175 -0.000268 -0.000299 34O 1f+2 -0.000104 -0.000073 0.000234 0.000023 -0.001460 0.000247 34O 1f-2 -0.000670 0.001142 0.000030 -0.000520 -0.000162 0.000318 34O 1f+3 0.000798 -0.000923 0.000259 0.000462 -0.000622 0.002064 34O 1f-3 0.000187 -0.001233 -0.000489 0.000437 0.001307 0.001106 35O 1s 0.000561 0.002998 -0.000468 0.010435 0.001257 0.001254 35O 2s 0.000489 0.007451 -0.002468 0.026418 0.002551 0.004313 35O 3s 0.011846 -0.013557 0.025973 -0.054332 0.004395 -0.030009 35O 4s -0.099993 -0.020100 -0.125960 -0.014884 -0.050764 0.076065 35O 5s 0.860483 -0.202386 0.826735 -0.845976 -0.218101 -0.250730 35O 1pz 0.030100 0.009692 0.045588 -0.051203 0.029264 0.038651 35O 1px 0.006491 -0.024277 0.022417 -0.125485 -0.006089 -0.014115 35O 1py 0.029134 -0.052674 0.021867 -0.057076 0.069014 -0.002785 35O 2pz 0.018241 -0.007193 0.018068 -0.063568 0.003551 0.050362 35O 2px 0.010320 -0.030114 0.001121 -0.131476 -0.035999 0.013232 35O 2py 0.024588 -0.040114 0.008214 -0.070151 0.065785 -0.008467 35O 3pz 0.212860 0.082068 0.370602 -0.049311 0.247266 0.045671 35O 3px 0.303861 -0.082628 0.243705 -0.570468 -0.067844 0.136921 35O 3py 0.320837 -0.196320 0.173107 -0.198444 0.037356 0.187767 35O 1dz2 -0.000408 0.000077 0.000894 -0.003251 0.000120 0.002940 35O 1dxz -0.000178 0.001290 0.000891 -0.000314 0.001043 0.000245 35O 1dyz 0.001171 -0.000600 0.000348 -0.001221 0.000946 0.000695 35O 1dx2y2 -0.001161 0.001867 0.002323 0.002261 0.000361 -0.005541 35O 1dxy 0.000479 -0.001029 0.000823 0.002468 -0.000554 -0.001832 35O 2dz2 -0.010212 0.001856 -0.010427 0.000578 -0.006266 0.009026 35O 2dxz 0.005289 -0.000845 0.007920 -0.004795 -0.012660 0.001896 35O 2dyz -0.003337 -0.001155 -0.000918 -0.001720 0.006395 -0.004364 35O 2dx2y2 0.011139 0.001725 0.008417 -0.000414 -0.011287 0.014848 35O 2dxy 0.019901 -0.001889 0.002869 -0.001746 -0.014685 0.011803 35O 1f0 -0.000336 0.000399 -0.000185 0.001009 0.001589 -0.000915 35O 1f+1 -0.000527 -0.000233 0.000189 -0.000304 -0.000017 -0.000971 35O 1f-1 -0.000110 -0.000259 0.000339 -0.000669 0.000249 0.000151 35O 1f+2 0.000279 0.000016 0.000019 -0.000078 -0.000950 0.000192 35O 1f-2 0.000627 -0.000708 0.000522 -0.001868 -0.000101 -0.000202 35O 1f+3 -0.000205 -0.000345 0.000085 -0.000840 0.000951 -0.002081 35O 1f-3 -0.000983 0.000177 -0.000315 0.000968 0.000177 -0.001131 174 175 176 177 178 179 0.36516 0.37362 0.38509 0.38954 0.38971 0.39310 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s -0.003103 -0.000332 0.001792 0.003799 -0.000822 -0.000677 0Rh 2s 0.011886 0.001340 -0.007310 -0.009892 0.003417 0.002797 0Rh 3s -0.010701 -0.001105 0.005905 0.015998 -0.002668 -0.002210 0Rh 4s -0.052682 -0.005981 0.032608 0.041839 -0.015288 -0.012487 0Rh 5s 0.042960 0.005509 -0.029482 0.004412 0.014604 0.011642 0Rh 6s 0.099129 0.008376 -0.053684 -0.228985 0.021100 0.018789 0Rh 7s -0.549126 0.008257 0.052682 0.930193 -0.000105 -0.240941 0Rh 8s 0.054402 -0.054658 0.502093 0.661668 -0.213208 0.156000 0Rh 1pz -0.000897 -0.012371 -0.001577 0.004426 -0.005583 -0.005402 0Rh 1px 0.013123 -0.002571 0.003276 -0.000385 -0.003100 0.004366 0Rh 1py 0.001218 -0.001225 0.004762 0.003502 0.005453 -0.006059 0Rh 2pz 0.003205 0.043070 0.005502 -0.015024 0.019320 0.018242 0Rh 2px -0.045374 0.008918 -0.011650 0.000711 0.010793 -0.014941 0Rh 2py -0.004160 0.004118 -0.016444 -0.012120 -0.018400 0.020815 0Rh 3pz -0.005202 -0.047772 -0.006133 0.009328 -0.019054 -0.009375 0Rh 3px 0.044604 -0.009302 0.017073 0.010974 -0.011722 0.011862 0Rh 3py 0.003148 -0.001840 0.015490 0.011955 0.009011 -0.017453 0Rh 4pz 0.005310 -0.021326 -0.004192 0.036165 -0.019404 -0.051677 0Rh 4px 0.044178 -0.006122 -0.006786 -0.045110 -0.007748 0.023343 0Rh 4py 0.007530 -0.012580 0.020047 0.012274 0.054586 -0.034027 0Rh 5pz -0.022997 -0.093741 0.002989 -0.031868 -0.018819 0.052241 0Rh 5px 0.050753 -0.020985 0.024890 0.088465 -0.009661 0.016850 0Rh 5py -0.001952 0.012607 0.000689 0.006824 -0.059682 0.018602 0Rh 6pz -0.109016 1.715471 -0.062380 0.187997 0.604097 -0.066908 0Rh 6px -0.554068 0.512948 0.041455 -0.783807 0.245974 -0.405514 0Rh 6py 0.055135 0.104417 -0.159522 -0.212570 0.034610 0.079097 0Rh 1dz2 0.001103 -0.008337 -0.001305 -0.007095 -0.004024 -0.003199 0Rh 1dxz -0.006702 0.014255 0.002178 -0.002730 0.005837 0.008846 0Rh 1dyz -0.002775 0.005864 0.001958 0.007622 0.003178 -0.003661 0Rh 1dx2y2 0.000383 0.005507 0.000928 0.001110 0.006965 0.000205 0Rh 1dxy 0.004551 0.004853 -0.007575 -0.011875 -0.008779 0.009820 0Rh 2dz2 -0.000238 0.001375 0.000522 0.001148 0.000291 0.000244 0Rh 2dxz 0.000641 -0.001349 0.000353 0.001674 -0.000988 -0.002053 0Rh 2dyz 0.000091 0.000667 -0.000397 -0.000211 -0.000595 -0.000037 0Rh 2dx2y2 0.000224 -0.000308 -0.001098 -0.002035 -0.000826 0.000546 0Rh 2dxy -0.000188 0.000063 0.000614 0.000168 0.001760 -0.001802 0Rh 3dz2 -0.000994 0.009623 0.000240 0.008305 0.006172 0.004868 0Rh 3dxz 0.009728 -0.020609 -0.005503 -0.002032 -0.006658 -0.007812 0Rh 3dyz 0.004673 -0.013539 -0.001935 -0.013173 -0.003410 0.006929 0Rh 3dx2y2 -0.001795 -0.008866 0.002934 0.006625 -0.009451 -0.002687 0Rh 3dxy -0.007656 -0.009186 0.011448 0.021266 0.008897 -0.010673 0Rh 4dz2 -0.005677 0.028730 0.008598 0.024790 0.009174 0.007041 0Rh 4dxz 0.015635 -0.035121 0.002029 0.027706 -0.020471 -0.038723 0Rh 4dyz 0.004545 0.003155 -0.008213 -0.012065 -0.011818 0.003371 0Rh 4dx2y2 0.004455 -0.010337 -0.016526 -0.031437 -0.019400 0.007882 0Rh 4dxy -0.007593 -0.004562 0.017628 0.016883 0.034562 -0.036390 0Rh 5dz2 0.033016 -0.035178 -0.023283 -0.042887 -0.000081 0.006794 0Rh 5dxz 0.021733 0.002146 -0.026131 -0.115785 0.032244 0.099648 0Rh 5dyz 0.012126 -0.080985 0.020975 -0.021840 0.019787 0.030822 0Rh 5dx2y2 -0.057535 -0.018842 0.062904 0.151030 0.013071 -0.054061 0Rh 5dxy -0.024123 -0.033056 -0.007842 0.041882 -0.069309 0.066827 0Rh 1f0 -0.001463 0.005105 -0.000747 0.002341 -0.002638 -0.002905 0Rh 1f+1 0.001377 0.001256 0.000266 -0.002190 0.000774 0.000737 0Rh 1f-1 -0.001346 -0.001570 0.001823 0.000995 -0.005197 0.003453 0Rh 1f+2 0.001772 0.005272 0.001057 -0.003323 -0.002766 -0.003335 0Rh 1f-2 0.000240 -0.003651 0.001411 0.000471 -0.004051 0.000268 0Rh 1f+3 0.001323 -0.001451 0.001756 -0.002513 0.001669 0.002975 0Rh 1f-3 0.000912 0.002742 0.001107 -0.000383 -0.000859 0.000287 1Rh 1s -0.003166 -0.000203 0.001653 -0.003873 -0.000623 -0.000925 1Rh 2s 0.012069 0.000998 -0.006948 0.010233 0.002976 0.003462 1Rh 3s -0.010959 -0.000563 0.005319 -0.016223 -0.001782 -0.003239 1Rh 4s -0.053467 -0.004531 0.031078 -0.043374 -0.013475 -0.015317 1Rh 5s 0.043089 0.005602 -0.029654 -0.002755 0.015824 0.011622 1Rh 6s 0.102572 0.000695 -0.045270 0.230461 0.007021 0.033192 1Rh 7s -0.566279 0.040338 0.019374 -0.915888 0.062283 -0.301654 1Rh 8s 0.141624 -0.083490 0.473026 -0.699593 -0.155387 0.127200 1Rh 1pz 0.001054 0.012362 0.001739 0.004772 0.005498 0.006079 1Rh 1px -0.013135 0.002601 -0.003284 0.000184 0.003087 -0.004006 1Rh 1py -0.000420 0.000935 -0.004660 0.003197 -0.005625 0.005015 1Rh 2pz -0.003736 -0.043043 -0.006053 -0.016255 -0.019034 -0.020567 1Rh 2px 0.045410 -0.008998 0.011652 -0.001268 -0.010709 0.013658 1Rh 2py 0.001462 -0.003163 0.016092 -0.011085 0.018990 -0.017206 1Rh 3pz 0.005500 0.047868 0.006507 0.011149 0.018906 0.011299 1Rh 3px -0.044565 0.008938 -0.016623 0.013143 0.010885 -0.009931 1Rh 3py -0.001659 0.001807 -0.015140 0.011392 -0.009522 0.013986 1Rh 4pz -0.003957 0.020852 0.005377 0.034981 0.018621 0.055516 1Rh 4px -0.044458 0.007856 0.005070 -0.043926 0.010509 -0.024589 1Rh 4py -0.000384 0.008115 -0.019697 0.009408 -0.055450 0.029972 1Rh 5pz 0.022002 0.094552 -0.003747 -0.025016 0.019658 -0.053962 1Rh 5px -0.050747 0.018053 -0.021510 0.091732 0.004030 -0.010532 1Rh 5py -0.004682 -0.006020 -0.000556 0.009909 0.059912 -0.020592 1Rh 6pz 0.111502 -1.719776 0.063481 0.092303 -0.614328 0.073962 1Rh 6px 0.579588 -0.503346 -0.070202 -0.829719 -0.190275 0.333569 1Rh 6py -0.009212 -0.163814 0.154158 -0.213682 -0.028997 -0.042701 1Rh 1dz2 0.001489 -0.008513 -0.001061 0.006952 -0.003898 -0.002788 1Rh 1dxz -0.007839 0.014420 0.002408 0.002690 0.005764 0.008532 1Rh 1dyz -0.001838 0.005407 0.001684 -0.007262 0.003331 -0.003977 1Rh 1dx2y2 0.001441 0.004682 0.000961 -0.000771 0.006925 0.000245 1Rh 1dxy 0.001293 0.006653 -0.007139 0.011461 -0.009328 0.009633 1Rh 2dz2 -0.000283 0.001401 0.000480 -0.001134 0.000351 0.000197 1Rh 2dxz 0.000632 -0.001301 0.000291 -0.001688 -0.000903 -0.002146 1Rh 2dyz 0.000055 0.000700 -0.000389 0.000199 -0.000602 -0.000043 1Rh 2dx2y2 0.000254 -0.000377 -0.001020 0.001990 -0.000920 0.000614 1Rh 2dxy -0.000050 -0.000051 0.000610 -0.000044 0.001766 -0.001683 1Rh 3dz2 -0.001514 0.009835 -0.000037 -0.008100 0.005694 0.004306 1Rh 3dxz 0.011854 -0.021116 -0.005664 0.002164 -0.006883 -0.006840 1Rh 3dyz 0.003099 -0.012831 -0.001462 0.012556 -0.003664 0.007538 1Rh 3dx2y2 -0.003867 -0.007061 0.002541 -0.007064 -0.008975 -0.003052 1Rh 3dxy -0.002252 -0.012024 0.010658 -0.021020 0.009891 -0.010830 1Rh 4dz2 -0.006774 0.029369 0.007713 -0.024399 0.009818 0.005868 1Rh 4dxz 0.016878 -0.034604 0.000842 -0.027781 -0.019166 -0.039716 1Rh 4dyz 0.002882 0.004151 -0.007786 0.011549 -0.012093 0.003583 1Rh 4dx2y2 0.003580 -0.010304 -0.015427 0.030420 -0.020733 0.008853 1Rh 4dxy -0.001667 -0.008300 0.017034 -0.014680 0.035314 -0.034493 1Rh 5dz2 0.034046 -0.036739 -0.021592 0.042435 -0.004020 0.008077 1Rh 5dxz 0.027983 -0.002381 -0.022498 0.115007 0.026895 0.108838 1Rh 5dyz 0.010017 -0.080588 0.021947 0.019629 0.019498 0.033931 1Rh 5dx2y2 -0.064674 -0.009967 0.056973 -0.149411 0.019604 -0.059579 1Rh 5dxy -0.016757 -0.035370 -0.009400 -0.047707 -0.067632 0.059028 1Rh 1f0 0.001776 -0.005301 0.000829 0.002089 0.002540 0.002727 1Rh 1f+1 -0.001358 -0.001166 -0.000310 -0.002439 -0.000680 -0.001032 1Rh 1f-1 0.001782 0.001450 -0.001782 0.001567 0.005132 -0.003547 1Rh 1f+2 -0.001857 -0.005180 -0.001218 -0.003331 0.002907 0.002984 1Rh 1f-2 0.000055 0.003545 -0.001374 0.000729 0.003998 -0.000358 1Rh 1f+3 -0.001572 0.001647 -0.001818 -0.002381 -0.001497 -0.003080 1Rh 1f-3 -0.000898 -0.002737 -0.001127 -0.000307 0.000880 -0.000347 2C 1s 0.002687 0.017050 0.007791 0.002524 -0.009265 -0.008644 2C 2s 0.006397 0.037437 0.020439 0.009207 -0.019033 -0.018439 2C 3s -0.018788 -0.042411 -0.138181 -0.141471 -0.025143 -0.001220 2C 4s -0.037259 -0.461947 0.495293 0.757901 0.522614 0.372112 2C 5s 2.526008 0.355469 -1.427338 -1.978357 -1.613602 -0.193436 2C 1pz -0.010260 -0.092649 -0.125521 -0.095070 0.018205 0.043853 2C 1px 0.025847 -0.026989 -0.035513 -0.009871 0.017791 -0.044326 2C 1py -0.011117 -0.048733 -0.084941 -0.050549 -0.005002 -0.002396 2C 2pz -0.020453 -0.036617 -0.086235 -0.058056 -0.006373 0.149041 2C 2px 0.146015 -0.111707 -0.066934 0.036480 0.066195 -0.334027 2C 2py 0.000605 -0.003489 -0.060561 0.026062 -0.061768 -0.061367 2C 3pz 0.841640 0.226006 0.585886 0.576243 0.012893 -0.121019 2C 3px 0.271490 -0.352914 0.094859 0.084372 -0.360612 0.628231 2C 3py 0.655954 0.016487 0.447675 0.501373 0.054898 0.285780 2C 1dz2 -0.000323 0.000118 0.001197 0.001226 -0.000344 0.004047 2C 1dxz 0.003202 -0.002496 -0.000076 0.000188 0.003324 -0.006792 2C 1dyz -0.002333 0.002087 0.001937 0.000842 -0.000784 0.002172 2C 1dx2y2 -0.002103 0.002063 0.000599 -0.000307 0.001089 0.003234 2C 1dxy 0.000648 0.000151 0.000494 0.001583 0.000292 -0.005471 2C 2dz2 0.001068 0.074441 0.086259 0.070878 -0.026090 0.020394 2C 2dxz 0.009735 0.026428 0.047897 0.048574 0.015867 -0.024460 2C 2dyz 0.006170 0.087113 0.119523 0.102789 -0.030393 -0.045751 2C 2dx2y2 0.003853 -0.038981 -0.039800 -0.010728 0.015240 -0.023573 2C 2dxy -0.003755 0.013256 0.025734 0.022604 0.019175 -0.028203 2C 1f0 0.002138 -0.000529 0.002439 0.004661 0.000365 -0.003618 2C 1f+1 0.001171 -0.000880 0.003054 0.002564 0.000500 -0.003103 2C 1f-1 -0.002198 0.008718 0.013191 0.011742 0.000136 0.003169 2C 1f+2 -0.002530 0.002210 -0.007306 -0.009121 -0.003787 0.002109 2C 1f-2 0.000997 -0.002735 0.006957 0.008327 0.004536 0.002901 2C 1f+3 -0.001082 0.006731 0.000038 -0.001562 -0.004664 -0.004806 2C 1f-3 0.001996 -0.000992 -0.000140 0.000132 -0.000588 -0.006089 3C 1s 0.004761 -0.018116 0.013072 -0.000476 -0.000415 -0.001118 3C 2s 0.010698 -0.038339 0.032957 -0.001649 -0.002386 -0.000475 3C 3s -0.013782 -0.002527 -0.188340 0.019626 0.053691 -0.075956 3C 4s -0.152050 0.752935 0.590577 -0.098674 -0.297226 0.512776 3C 5s 2.431504 -0.620280 -1.571542 0.832943 1.650392 -1.252075 3C 1pz -0.033562 0.023037 -0.083100 -0.001229 0.034284 -0.011641 3C 1px -0.000146 0.039674 -0.078547 0.005460 -0.040435 -0.026071 3C 1py 0.003458 -0.067252 0.177099 -0.021216 -0.061013 0.060826 3C 2pz -0.098890 -0.022128 0.033593 -0.019346 0.138820 0.069881 3C 2px 0.047673 0.066097 -0.120592 -0.002892 -0.363856 -0.052041 3C 2py -0.026918 -0.033940 0.102464 -0.054746 -0.162844 0.066802 3C 3pz 0.491293 0.081130 0.529386 0.100830 -0.085870 0.139981 3C 3px 0.391261 0.163331 0.341773 -0.061405 0.554276 0.357663 3C 3py -0.771563 -0.211541 -0.851945 0.077262 0.225479 -0.319619 3C 1dz2 0.000103 -0.000237 -0.000853 -0.000160 0.002047 -0.000615 3C 1dxz 0.000737 0.002207 -0.001223 -0.001557 -0.008318 0.000109 3C 1dyz 0.003000 0.002213 -0.004500 -0.000395 -0.004253 -0.002077 3C 1dx2y2 -0.001355 -0.000795 -0.001090 -0.001029 -0.003481 -0.000696 3C 1dxy -0.000994 -0.000450 0.000091 -0.000500 0.005441 0.000656 3C 2dz2 0.002706 0.022158 -0.039679 -0.008712 0.016999 -0.011835 3C 2dxz 0.008971 -0.039999 0.067792 0.003122 -0.003507 0.007087 3C 2dyz -0.005284 0.061274 -0.148436 0.021250 0.030083 -0.042111 3C 2dx2y2 -0.005917 0.045540 -0.131978 0.008647 -0.023423 -0.063007 3C 2dxy -0.009416 0.040075 -0.106847 -0.002029 0.074084 -0.022190 3C 1f0 0.001611 0.007892 -0.010717 0.001192 0.001632 -0.003675 3C 1f+1 0.001700 0.003364 -0.001953 -0.000374 -0.006765 -0.000251 3C 1f-1 -0.000384 0.004501 -0.000137 -0.000170 -0.003142 0.002888 3C 1f+2 0.000453 -0.005076 -0.014517 0.001692 0.001387 -0.008600 3C 1f-2 -0.001160 -0.003850 -0.010254 0.001462 0.008613 -0.005433 3C 1f+3 0.000168 -0.003342 0.010541 -0.000268 -0.000242 0.002115 3C 1f-3 -0.000625 0.000490 -0.002634 0.000542 0.005530 -0.001084 4C 1s -0.032349 -0.005504 -0.018088 -0.012972 -0.003357 -0.004875 4C 2s -0.068930 -0.014366 -0.041969 -0.029745 -0.006939 -0.009150 4C 3s 0.018971 0.200032 0.161469 0.139649 0.004191 -0.087597 4C 4s 1.261488 -1.171421 -0.260111 -0.306176 0.118021 0.761507 4C 5s -2.840095 -0.778606 -0.868615 -1.083490 0.267967 -0.379382 4C 1pz 0.059005 -0.048240 -0.096135 -0.079587 0.011841 0.087528 4C 1px 0.059365 -0.088422 -0.021493 0.013295 0.037082 -0.178053 4C 1py 0.075034 -0.064527 -0.060139 -0.045514 0.052356 0.013012 4C 2pz 0.133185 -0.131967 -0.005197 -0.025218 -0.036785 0.099413 4C 2px 0.022829 -0.105312 -0.047683 -0.103941 0.021162 0.059700 4C 2py 0.132985 -0.117465 0.013814 0.000609 0.085136 0.162503 4C 3pz 1.629939 -1.310535 -0.104047 0.161212 -0.032966 0.405399 4C 3px -0.172468 1.038599 0.049916 -0.345956 0.393445 0.856865 4C 3py 0.786286 -0.458872 -0.164261 -0.203173 -0.154910 0.292981 4C 1dz2 0.007866 -0.005404 -0.005503 -0.000512 0.003929 -0.008007 4C 1dxz 0.001453 0.006758 -0.001531 -0.003998 -0.002975 0.018515 4C 1dyz 0.003950 -0.012420 -0.010144 -0.004072 0.002259 0.003706 4C 1dx2y2 -0.010198 -0.005745 0.000914 0.001428 -0.004441 -0.000541 4C 1dxy -0.007427 -0.000147 -0.003028 -0.004666 -0.002213 0.015271 4C 2dz2 0.033809 -0.011572 -0.060075 -0.044592 0.006661 -0.122234 4C 2dxz 0.004387 0.074845 -0.027901 -0.082696 -0.000796 0.133132 4C 2dyz -0.014938 -0.117189 -0.104152 -0.119749 0.032591 0.043531 4C 2dx2y2 -0.067065 -0.112838 -0.002500 -0.031828 -0.025223 0.071094 4C 2dxy -0.051248 -0.067791 -0.034400 -0.050282 -0.039797 0.133350 4C 1f0 -0.000146 0.007067 0.003013 0.002770 -0.000899 -0.004755 4C 1f+1 0.000274 0.019081 0.005096 0.006308 0.001632 -0.006241 4C 1f-1 0.003312 0.005862 0.009952 0.009851 0.000821 -0.006224 4C 1f+2 -0.000141 -0.014702 -0.007220 -0.006393 0.000221 0.000197 4C 1f-2 -0.000148 0.003063 0.002481 0.001636 -0.002437 0.005208 4C 1f+3 0.001526 0.000743 0.001902 0.005118 0.000731 -0.005380 4C 1f-3 0.001065 0.015945 0.003844 0.007852 0.001857 -0.014992 5C 1s -0.032499 -0.006141 -0.021810 0.004930 0.005742 -0.008919 5C 2s -0.069504 -0.011521 -0.050758 0.011135 0.013377 -0.019298 5C 3s 0.035629 -0.138991 0.219674 -0.044267 -0.073245 0.013655 5C 4s 1.136033 1.268501 -0.475050 0.062820 0.188816 0.318445 5C 5s -2.763985 0.111012 -1.429679 0.168620 -0.210375 -0.585598 5C 1pz 0.048114 0.057694 -0.065079 0.001220 0.101864 -0.015512 5C 1px 0.063056 0.027958 -0.103512 0.015476 -0.186107 -0.028491 5C 1py -0.059856 -0.087849 0.134940 0.002931 -0.056150 0.041946 5C 2pz 0.117177 0.119120 -0.003194 0.062964 0.103785 0.113565 5C 2px 0.060197 0.079924 0.048933 -0.049105 -0.050497 -0.046683 5C 2py -0.114947 -0.177829 0.039378 -0.001226 -0.010453 -0.063654 5C 3pz 0.730265 0.671762 -0.357456 0.226551 -0.188962 -0.057349 5C 3px 0.037043 0.724403 0.355337 -0.125644 1.091154 -0.203342 5C 3py -1.232635 -1.208751 0.176727 -0.476429 -0.447474 -0.153418 5C 1dz2 0.006584 -0.001933 0.001567 0.000810 -0.007149 -0.000897 5C 1dxz 0.005672 -0.002516 -0.000080 0.001414 0.011782 -0.000193 5C 1dyz -0.001272 -0.009957 0.014434 -0.002118 0.005280 0.001956 5C 1dx2y2 -0.010773 -0.002807 0.008144 -0.001206 0.009655 0.001995 5C 1dxy -0.000640 -0.006101 0.001979 0.000997 -0.020251 -0.000443 5C 2dz2 0.070020 -0.068892 0.035776 0.019060 -0.049773 0.007525 5C 2dxz 0.036669 -0.039250 0.003660 -0.054433 0.030187 -0.030948 5C 2dyz 0.020738 -0.110792 0.187560 -0.038141 0.017329 0.032770 5C 2dx2y2 -0.073992 0.056311 0.109124 0.003226 0.102522 0.049056 5C 2dxy 0.000170 -0.000328 0.031320 0.016030 -0.154482 0.056503 5C 1f0 -0.001036 -0.006171 -0.003806 -0.001682 0.004883 -0.004245 5C 1f+1 0.001056 -0.009215 0.001567 -0.000647 -0.007504 -0.001831 5C 1f-1 -0.001151 0.001245 -0.000676 -0.001865 0.002295 -0.001837 5C 1f+2 -0.001591 0.003943 -0.009400 0.001417 0.002282 -0.002133 5C 1f-2 -0.000991 0.010826 -0.014928 0.004887 -0.002960 0.000294 5C 1f+3 0.002795 -0.011036 0.009964 0.000524 -0.006276 0.000418 5C 1f-3 -0.002443 0.014884 -0.007859 0.002295 0.006287 0.001113 6C 1s -0.031856 -0.006907 -0.021857 -0.003435 0.005726 -0.006896 6C 2s -0.068178 -0.013122 -0.050883 -0.007696 0.013369 -0.014700 6C 3s 0.040803 -0.142156 0.221337 0.030243 -0.075337 -0.004201 6C 4s 1.076585 1.318511 -0.484691 -0.040125 0.202317 0.338171 6C 5s -2.907548 0.195815 -1.440872 -0.076333 -0.181000 -0.352287 6C 1pz -0.047263 -0.058765 0.064939 -0.008464 -0.101235 0.003021 6C 1px -0.061245 -0.029606 0.104471 0.018351 0.182415 0.019245 6C 1py 0.055161 0.091266 -0.134730 0.014829 0.055257 -0.022772 6C 2pz -0.115917 -0.124812 0.008099 0.062208 -0.111252 -0.114350 6C 2px -0.061965 -0.080117 -0.053610 -0.052512 0.052487 0.052037 6C 2py 0.093225 0.194144 -0.041401 -0.002043 0.014141 0.060972 6C 3pz -0.791353 -0.613984 0.361377 0.224782 0.188855 0.090743 6C 3px -0.050989 -0.687862 -0.364991 -0.188274 -1.055263 0.221908 6C 3py 1.410644 1.074754 -0.189968 -0.446483 0.457839 0.119573 6C 1dz2 0.006717 -0.002113 0.001550 -0.001154 -0.006960 -0.000574 6C 1dxz 0.006251 -0.002889 -0.000047 -0.000791 0.011455 0.000272 6C 1dyz -0.000916 -0.010199 0.014619 0.001695 0.004964 0.001242 6C 1dx2y2 -0.011224 -0.002441 0.008221 0.001153 0.009364 0.000814 6C 1dxy -0.001132 -0.005771 0.001815 -0.002312 -0.019829 -0.000804 6C 2dz2 0.075546 -0.070139 0.034482 -0.023980 -0.049478 0.004876 6C 2dxz 0.037285 -0.040070 0.006682 0.057812 0.028201 -0.020447 6C 2dyz 0.024637 -0.113387 0.189574 0.028901 0.014956 0.009185 6C 2dx2y2 -0.065134 0.050307 0.109134 -0.004375 0.103063 0.028582 6C 2dxy 0.002477 -0.002284 0.029622 -0.028907 -0.149462 0.044167 6C 1f0 0.000861 0.006280 0.003620 -0.002299 -0.004542 0.003264 6C 1f+1 -0.001257 0.009391 -0.001579 -0.000207 0.007495 0.001659 6C 1f-1 0.001405 -0.001314 0.000550 -0.002106 -0.002149 0.001668 6C 1f+2 0.001894 -0.004106 0.009468 0.000780 -0.002384 0.000815 6C 1f-2 0.001815 -0.011390 0.015224 0.004450 0.002614 -0.001455 6C 1f+3 -0.003334 0.011340 -0.009903 0.001365 0.006308 0.000523 6C 1f-3 0.003133 -0.015367 0.007990 0.001614 -0.006485 -0.001563 7C 1s -0.033368 -0.004980 -0.017570 0.013323 -0.004111 -0.005011 7C 2s -0.071104 -0.013278 -0.040801 0.030524 -0.008644 -0.009374 7C 3s 0.016865 0.202631 0.156916 -0.138267 0.011061 -0.092617 7C 4s 1.314817 -1.208441 -0.253743 0.281935 0.108212 0.800040 7C 5s -2.692468 -0.840306 -0.837015 1.132015 0.243061 -0.379462 7C 1pz -0.061448 0.049904 0.094112 -0.079221 -0.008415 -0.089622 7C 1px -0.059135 0.087192 0.022221 0.006343 -0.039797 0.180592 7C 1py -0.077815 0.066489 0.058883 -0.048426 -0.051467 -0.014687 7C 2pz -0.143369 0.136227 0.004880 -0.019295 0.038333 -0.101785 7C 2px -0.028280 0.113110 0.046386 -0.105721 -0.021334 -0.067538 7C 2py -0.154143 0.132209 -0.013613 0.001364 -0.085945 -0.171886 7C 3pz -1.490143 1.243012 0.102389 0.189127 0.038561 -0.396673 7C 3px 0.221816 -1.055374 -0.071990 -0.353490 -0.359323 -0.883888 7C 3py -0.637352 0.375224 0.153586 -0.187053 0.171149 -0.276580 7C 1dz2 0.007457 -0.005017 -0.005452 0.001049 0.004007 -0.008297 7C 1dxz 0.001377 0.006679 -0.001449 0.003437 -0.003418 0.018743 7C 1dyz 0.003760 -0.012449 -0.010056 0.004275 0.002147 0.003946 7C 1dx2y2 -0.009509 -0.006095 0.000863 -0.001716 -0.004506 -0.000400 7C 1dxy -0.006981 -0.000609 -0.002898 0.004274 -0.002551 0.015760 7C 2dz2 0.031943 -0.007150 -0.058391 0.048195 0.004239 -0.124054 7C 2dxz 0.005920 0.072263 -0.025199 0.078419 -0.002589 0.136842 7C 2dyz -0.008315 -0.122176 -0.100594 0.119891 0.027847 0.045593 7C 2dx2y2 -0.072394 -0.110390 -0.000641 0.027389 -0.026659 0.074141 7C 2dxy -0.049401 -0.069548 -0.033222 0.045117 -0.043542 0.138877 7C 1f0 0.000511 -0.007280 -0.002856 0.002628 0.000780 0.004877 7C 1f+1 0.000281 -0.019379 -0.004888 0.005961 -0.001988 0.006670 7C 1f-1 -0.002975 -0.006114 -0.009667 0.009738 -0.001293 0.006594 7C 1f+2 -0.000073 0.014758 0.007024 -0.006434 0.000095 -0.000369 7C 1f-2 0.000281 -0.003105 -0.002384 0.001860 0.002343 -0.005232 7C 1f+3 -0.001469 -0.000911 -0.001748 0.004888 -0.000821 0.005595 7C 1f-3 -0.000386 -0.016613 -0.003658 0.007327 -0.002168 0.015788 8C 1s 0.005439 -0.018667 0.013328 -0.000416 -0.000748 -0.001780 8C 2s 0.012107 -0.039435 0.033485 -0.000610 -0.003039 -0.002691 8C 3s -0.014582 -0.003589 -0.187489 -0.006120 0.051704 -0.045736 8C 4s -0.175827 0.783150 0.575117 0.054082 -0.270663 0.352279 8C 5s 2.757294 -0.908916 -1.539667 -0.675272 1.567318 -0.895366 8C 1pz 0.034971 -0.023542 0.082958 -0.007406 -0.033694 0.003717 8C 1px 0.000323 -0.039797 0.078963 0.002558 0.038614 0.017312 8C 1py -0.003954 0.066945 -0.177319 -0.007430 0.060502 -0.040005 8C 2pz 0.092286 0.026615 -0.034422 -0.022573 -0.136859 -0.057186 8C 2px -0.050246 -0.063867 0.121601 0.007522 0.353981 0.043336 8C 2py 0.037282 0.026203 -0.102483 -0.040456 0.161069 -0.059962 8C 3pz -0.549296 -0.047570 -0.524357 0.130361 0.076463 -0.088008 8C 3px -0.436579 -0.140795 -0.344907 -0.057394 -0.541597 -0.287667 8C 3py 0.806896 0.180225 0.852584 0.011847 -0.230203 0.159700 8C 1dz2 -0.000081 -0.000092 -0.000846 0.000317 0.001880 -0.000562 8C 1dxz 0.000553 0.002234 -0.001189 0.001197 -0.008164 0.000158 8C 1dyz 0.002749 0.002368 -0.004510 0.000452 -0.004251 -0.001469 8C 1dx2y2 -0.001643 -0.000626 -0.001057 0.000936 -0.003380 -0.000505 8C 1dxy -0.000962 -0.000449 0.000168 0.000778 0.005376 0.000740 8C 2dz2 0.000429 0.022883 -0.038971 0.011812 0.016480 -0.006472 8C 2dxz 0.009901 -0.040275 0.067620 -0.007339 -0.004049 -0.001191 8C 2dyz -0.006947 0.062319 -0.149033 -0.010239 0.031312 -0.022288 8C 2dx2y2 -0.010030 0.047810 -0.132146 -0.000971 -0.023708 -0.047495 8C 2dxy -0.011244 0.040946 -0.106700 0.011342 0.071589 -0.007641 8C 1f0 -0.001390 -0.008074 0.010807 0.000417 -0.001449 0.002455 8C 1f+1 -0.001612 -0.003209 0.002005 -0.000134 0.006595 0.000229 8C 1f-1 0.000531 -0.004582 0.000218 -0.000019 0.002874 -0.002482 8C 1f+2 -0.000512 0.005238 0.014326 0.000770 -0.001204 0.005934 8C 1f-2 0.001115 0.004097 0.010173 0.000451 -0.008354 0.003534 8C 1f+3 -0.000240 0.003375 -0.010474 0.000338 0.000375 -0.000643 8C 1f-3 0.000583 -0.000431 0.002653 0.000071 -0.005542 0.000769 9C 1s 0.001908 0.017507 0.007799 -0.003015 -0.009430 -0.009018 9C 2s 0.004893 0.038334 0.020315 -0.010228 -0.019174 -0.019277 9C 3s -0.021936 -0.040879 -0.133201 0.140688 -0.032784 0.000220 9C 4s 0.014021 -0.491019 0.464343 -0.732282 0.575991 0.379528 9C 5s 2.100294 0.577625 -1.331571 1.859011 -1.786533 -0.229142 9C 1pz 0.011602 0.092883 0.121909 -0.095984 -0.014305 -0.046048 9C 1px -0.026397 0.027039 0.034982 -0.012905 -0.019010 0.045187 9C 1py 0.011688 0.048189 0.084512 -0.052888 0.007995 0.002444 9C 2pz 0.032279 0.033860 0.082232 -0.054410 0.009165 -0.152660 9C 2px -0.144566 0.109413 0.068049 0.020437 -0.076623 0.340768 9C 2py 0.004495 -0.001620 0.064241 0.022054 0.065256 0.066682 9C 3pz -0.763053 -0.273122 -0.567436 0.575732 -0.035768 0.139610 9C 3px -0.255578 0.352378 -0.086876 0.123618 0.366441 -0.639784 9C 3py -0.655065 -0.007120 -0.437295 0.522074 -0.073118 -0.297958 9C 1dz2 -0.000218 -0.000012 0.001165 -0.001373 -0.000318 0.004089 9C 1dxz 0.002993 -0.002414 -0.000051 0.000135 0.003493 -0.006954 9C 1dyz -0.002554 0.002209 0.001912 -0.000950 -0.000769 0.002132 9C 1dx2y2 -0.001920 0.001889 0.000625 0.000268 0.001111 0.003303 9C 1dxy 0.000513 0.000311 0.000446 -0.001380 0.000331 -0.005429 9C 2dz2 0.002261 0.073004 0.083345 -0.072834 -0.024218 0.020293 9C 2dxz 0.009692 0.026832 0.046229 -0.047641 0.017934 -0.024905 9C 2dyz 0.004172 0.089107 0.116800 -0.104648 -0.025888 -0.047757 9C 2dx2y2 0.005286 -0.039827 -0.040110 0.013218 0.014891 -0.023039 9C 2dxy -0.003970 0.013371 0.025411 -0.022000 0.021605 -0.029788 9C 1f0 -0.002223 0.000522 -0.002144 0.004352 -0.000536 0.003614 9C 1f+1 -0.001134 0.000939 -0.002948 0.002543 -0.000809 0.003329 9C 1f-1 0.001970 -0.008642 -0.012777 0.011867 -0.000615 -0.003021 9C 1f+2 0.002861 -0.002479 0.007128 -0.009043 0.004555 -0.002030 9C 1f-2 -0.001298 0.002804 -0.006615 0.008119 -0.004945 -0.003037 9C 1f+3 0.001340 -0.006868 -0.000180 -0.001354 0.004866 0.004648 9C 1f-3 -0.001831 0.000658 0.000179 -0.000124 0.000708 0.006448 10H 1s -0.014177 0.019801 0.006095 -0.000994 -0.015918 0.038285 10H 2s -0.243778 0.273578 0.072306 -0.038240 -0.136373 0.435940 10H 3s 0.254815 -0.299422 0.532805 0.890294 0.739245 -1.030424 10H 1pz -0.006948 0.008344 -0.004814 -0.009386 -0.001010 0.009615 10H 1px 0.011658 -0.015649 0.000669 0.009490 0.010748 -0.021716 10H 1py -0.001809 0.003007 -0.002269 -0.000486 -0.001377 0.001045 11H 1s 0.017941 -0.006327 -0.000659 0.003640 0.009944 -0.014183 11H 2s 0.115545 -0.050323 -0.037248 -0.022188 0.045900 -0.210316 11H 3s -0.076589 -0.106223 0.563711 0.686611 0.185961 0.624692 11H 1pz -0.003331 0.002214 -0.009178 -0.013052 -0.006169 -0.008339 11H 1px 0.004190 -0.001143 -0.007883 -0.008490 -0.004559 -0.012354 11H 1py -0.001412 -0.002754 0.000121 0.002517 -0.003342 0.003427 12H 1s 0.013687 0.000324 -0.001854 0.008012 -0.006197 -0.037104 12H 2s 0.108401 0.022712 -0.019919 0.097053 -0.085982 -0.398531 12H 3s -0.069177 -0.165664 0.595914 0.704302 0.302577 1.053170 12H 1pz -0.001543 -0.003910 -0.001072 -0.000976 0.003479 0.011521 12H 1px 0.005959 -0.003039 -0.005642 -0.003996 -0.004031 -0.011755 12H 1py 0.001577 0.005347 -0.007245 -0.004845 -0.007689 -0.014889 13H 1s -0.006874 -0.018883 0.018252 -0.000445 0.047159 0.006460 13H 2s -0.142354 -0.243686 0.217007 0.021907 0.546216 0.048239 13H 3s 0.130336 0.427514 0.444911 -0.087663 -1.581488 0.259153 13H 1pz -0.006225 -0.009892 0.000955 0.002707 0.020387 -0.000737 13H 1px 0.003834 0.014700 -0.004776 -0.003153 -0.026330 0.001454 13H 1py 0.001596 0.002746 0.005292 -0.003467 -0.010987 0.005601 14H 1s 0.004626 -0.001266 -0.001708 -0.007394 -0.041151 -0.001937 14H 2s 0.004568 -0.038952 -0.024427 -0.079138 -0.426670 0.011832 14H 3s -0.050473 0.504118 0.849378 -0.145431 0.658876 0.561864 14H 1pz -0.002822 -0.006696 -0.003364 0.000831 -0.001201 -0.000586 14H 1px 0.002057 -0.004797 -0.011713 -0.002585 -0.015828 -0.004534 14H 1py -0.001598 -0.001479 0.003634 -0.001793 -0.009577 0.000090 15H 1s 0.020382 0.002711 -0.005819 0.004528 -0.006231 -0.007238 15H 2s 0.153102 -0.020571 -0.096333 0.030105 -0.098823 -0.144473 15H 3s -0.145943 0.448025 0.822124 -0.293677 -0.093460 0.625982 15H 1pz -0.005870 0.004233 0.005532 -0.002769 0.000929 0.006757 15H 1px 0.000817 0.001598 -0.006426 -0.003267 -0.005115 -0.002771 15H 1py -0.000264 0.010061 0.014194 -0.001223 0.000565 0.013783 16H 1s -0.000898 -0.027195 -0.019307 -0.057857 -0.012210 0.025735 16H 2s 0.054262 -0.610850 -0.248382 -0.819150 -0.151993 0.437154 16H 3s 0.071691 0.564758 0.032646 0.320833 0.167956 -0.185750 16H 1pz 0.006639 -0.048119 -0.010251 -0.036809 -0.010698 0.022685 16H 1px -0.002171 0.024689 0.001830 0.014055 0.000860 -0.009340 16H 1py 0.000925 -0.011673 -0.008027 -0.024643 0.001462 0.013277 17H 1s -0.003108 0.013526 -0.020585 -0.059927 0.028466 0.028350 17H 2s -0.013592 0.374432 -0.323402 -0.845337 0.354701 0.360714 17H 3s 0.150126 -0.421765 0.106597 0.269288 -0.217979 -0.052412 17H 1pz -0.001935 -0.015766 0.009557 0.016976 -0.010742 -0.007952 17H 1px 0.000752 -0.037612 0.016281 0.033222 -0.016418 -0.008959 17H 1py 0.000536 0.006998 -0.012360 -0.031743 0.009457 0.013093 18H 1s -0.003118 0.012298 -0.018312 0.061729 0.024683 0.032411 18H 2s -0.008252 0.349246 -0.289375 0.873818 0.304417 0.413203 18H 3s 0.137656 -0.408624 0.094402 -0.292680 -0.198456 -0.070514 18H 1pz 0.002215 0.015677 -0.009231 0.019051 0.009987 0.009221 18H 1px -0.000018 0.036079 -0.014844 0.035463 0.014462 0.010843 18H 1py -0.000722 -0.005005 0.010760 -0.031773 -0.007359 -0.014739 19H 1s -0.001673 -0.028563 -0.017137 0.055477 -0.015458 0.028232 19H 2s 0.051621 -0.635467 -0.218173 0.778081 -0.194831 0.475630 19H 3s 0.061841 0.578165 0.024114 -0.290307 0.182686 -0.208306 19H 1pz -0.006732 0.048909 0.008787 -0.033317 0.012439 -0.023911 19H 1px 0.002709 -0.025726 -0.001502 0.013488 -0.001561 0.010759 19H 1py -0.001192 0.013658 0.007279 -0.024612 0.000102 -0.015004 20H 1s 0.021027 0.002321 -0.005963 -0.004581 -0.006502 -0.006718 20H 2s 0.149399 -0.018842 -0.096016 -0.029175 -0.104080 -0.132181 20H 3s -0.190129 0.489470 0.818481 0.238946 -0.074743 0.433105 20H 1pz 0.006331 -0.004682 -0.005511 -0.002539 -0.001187 -0.005332 20H 1px -0.000489 -0.001620 0.006353 -0.003310 0.005268 0.001860 20H 1py -0.000475 -0.009830 -0.013899 -0.000373 -0.001127 -0.011193 21H 1s 0.004058 -0.001109 -0.001470 0.005411 -0.040320 -0.002309 21H 2s 0.002966 -0.038831 -0.021151 0.057990 -0.415642 0.012056 21H 3s -0.060529 0.531865 0.840761 0.130064 0.653748 0.401932 21H 1pz 0.002182 0.007149 0.003302 0.000693 0.001132 -0.000502 21H 1px -0.002321 0.005186 0.011405 -0.002379 0.015493 0.002280 21H 1py 0.002042 0.001358 -0.003615 -0.001131 0.009478 0.000377 22H 1s -0.005984 -0.019292 0.018617 0.001550 0.046070 0.004434 22H 2s -0.135167 -0.246001 0.219716 -0.007954 0.535845 0.028447 22H 3s 0.083158 0.469746 0.428761 -0.010492 -1.539145 0.138872 22H 1pz 0.005410 0.010274 -0.001040 0.001711 -0.020007 -0.000184 22H 1px -0.003237 -0.015154 0.004985 -0.002173 0.025722 -0.001117 22H 1py -0.001650 -0.002837 -0.005311 -0.002555 0.010961 -0.004465 23H 1s 0.012651 0.001387 -0.002306 -0.006942 -0.006120 -0.037505 23H 2s 0.108616 0.027880 -0.025777 -0.084941 -0.085664 -0.403218 23H 3s 0.008435 -0.222632 0.568730 -0.720399 0.350634 1.071536 23H 1pz 0.000675 0.004597 0.000944 -0.000745 -0.003639 -0.011861 23H 1px -0.005583 0.002851 0.005447 -0.004203 0.004073 0.011562 23H 1py -0.001564 -0.005527 0.007213 -0.005116 0.008447 0.015172 24H 1s 0.017576 -0.006444 -0.000556 -0.002940 0.010927 -0.014997 24H 2s 0.109824 -0.050495 -0.034658 0.029287 0.055243 -0.219499 24H 3s -0.035688 -0.125759 0.532089 -0.683366 0.216772 0.650261 24H 1pz 0.004261 -0.002707 0.008642 -0.012914 0.006556 0.008444 24H 1px -0.003577 0.000850 0.007613 -0.008755 0.004745 0.012729 24H 1py 0.001110 0.002793 0.000235 0.002501 0.003506 -0.003443 25H 1s -0.013999 0.019445 0.006129 -0.001057 -0.016719 0.039008 25H 2s -0.240400 0.269350 0.074141 0.016457 -0.147593 0.443068 25H 3s 0.304718 -0.316350 0.499589 -0.815353 0.812578 -1.052845 25H 1pz 0.007550 -0.008646 0.004378 -0.008992 0.001775 -0.009828 25H 1px -0.011907 0.015663 -0.000265 0.008025 -0.011873 0.022053 25H 1py 0.001513 -0.002808 0.002262 -0.000364 0.001552 -0.000830 26O 1s 0.010622 -0.007499 0.000279 0.002252 0.003449 -0.005299 26O 2s 0.025953 -0.017437 0.001412 0.005813 0.008360 -0.013288 26O 3s -0.041215 0.009031 -0.014641 -0.016963 -0.012765 0.032358 26O 4s -0.088999 0.104402 0.035731 -0.031003 -0.040332 0.052269 26O 5s 0.044425 0.744839 0.152713 0.608123 0.044754 -1.092414 26O 1pz -0.005798 0.028470 0.017768 -0.019161 0.017447 -0.024964 26O 1px 0.136097 -0.001156 0.005636 0.009657 0.043634 -0.053549 26O 1py 0.046163 0.044256 0.015829 0.021017 0.008557 -0.063615 26O 2pz 0.016850 -0.007618 0.014807 -0.027410 0.030662 0.008666 26O 2px 0.127391 -0.067515 0.002896 -0.023869 0.037842 0.035833 26O 2py 0.056733 -0.003317 0.010841 0.027996 -0.018794 -0.030557 26O 3pz -0.279361 0.400576 0.051371 0.032794 -0.011467 -0.220786 26O 3px 0.267958 -0.375007 -0.224486 -0.273781 0.051889 0.427922 26O 3py -0.077726 0.166803 -0.052959 -0.221704 0.164275 0.135465 26O 1dz2 -0.002134 0.002892 0.000401 0.001183 -0.001032 -0.001267 26O 1dxz -0.001902 0.000506 0.002349 0.002530 -0.000536 -0.004479 26O 1dyz -0.000401 -0.002299 0.000858 0.001424 -0.000569 -0.001344 26O 1dx2y2 0.003736 -0.002981 -0.001389 -0.001257 0.000706 0.002809 26O 1dxy 0.001528 -0.004282 0.000020 -0.001462 0.000268 -0.000146 26O 2dz2 -0.006218 -0.008564 -0.002241 -0.012011 -0.000195 0.017064 26O 2dxz -0.004924 0.006889 0.005951 0.009457 0.000202 -0.020222 26O 2dyz 0.005318 0.009590 0.007880 0.013431 0.005825 -0.021131 26O 2dx2y2 0.011703 0.015913 0.005732 0.011539 0.010095 -0.026390 26O 2dxy 0.009716 0.016578 0.010801 0.023267 0.004099 -0.045669 26O 1f0 -0.000491 0.000411 0.000768 0.000411 0.000148 -0.000941 26O 1f+1 -0.000353 0.001467 0.000521 0.001362 0.000217 -0.001816 26O 1f-1 -0.000188 0.001663 0.000819 0.000746 0.000052 -0.001598 26O 1f+2 0.000619 -0.001175 -0.000507 -0.000322 0.000320 0.000902 26O 1f-2 0.000158 0.000344 -0.000486 -0.000767 0.000242 0.000617 26O 1f+3 0.000360 0.000925 -0.000251 -0.000413 0.000441 -0.000648 26O 1f-3 -0.000398 0.001463 0.001036 0.002096 -0.000025 -0.002784 27O 1s 0.010402 0.001489 -0.004416 0.001630 -0.008865 -0.000638 27O 2s 0.025473 0.003153 -0.009999 0.004500 -0.021739 -0.001637 27O 3s -0.041754 0.007324 0.003966 -0.015654 0.038597 0.004795 27O 4s -0.082588 -0.025158 0.075367 0.026559 0.102566 -0.009421 27O 5s 0.081771 -0.772816 0.039316 -0.142304 -0.819332 0.087246 27O 1pz -0.028585 -0.020238 0.031690 -0.019737 -0.029027 0.006544 27O 1px 0.130809 0.017054 -0.008455 0.001078 -0.101683 0.005317 27O 1py -0.013030 0.000110 -0.025573 0.009433 0.032114 0.017075 27O 2pz -0.022127 -0.001912 0.029160 -0.017147 -0.039303 0.017506 27O 2px 0.121652 0.062578 0.005266 -0.002323 -0.053353 0.018259 27O 2py -0.034007 -0.017039 -0.025609 -0.012861 0.015900 0.019433 27O 3pz -0.159713 -0.228100 0.103783 -0.023512 -0.001272 -0.022927 27O 3px 0.179291 0.605576 -0.168397 0.020593 0.265696 -0.035331 27O 3py 0.239975 -0.064419 -0.087556 0.149782 0.010380 0.012083 27O 1dz2 -0.001514 -0.001464 0.000707 0.000550 0.001207 -0.000352 27O 1dxz -0.002324 -0.002149 0.001283 0.000208 -0.001749 -0.000139 27O 1dyz -0.000096 -0.000813 0.000745 -0.000721 -0.000101 0.000181 27O 1dx2y2 0.003417 0.005768 -0.001570 -0.000469 0.000662 -0.000962 27O 1dxy 0.001024 0.001135 -0.001726 0.000972 0.004368 -0.001034 27O 2dz2 -0.008472 0.013139 -0.001738 -0.001332 0.027379 0.006204 27O 2dxz -0.006299 0.000100 0.004035 -0.000193 -0.007913 0.000967 27O 2dyz -0.003387 -0.006406 -0.006761 -0.001284 0.015901 0.000059 27O 2dx2y2 0.013268 -0.015526 -0.004080 -0.004883 -0.027708 0.003286 27O 2dxy -0.002568 0.020392 -0.007511 -0.005116 0.031429 0.002303 27O 1f0 -0.000251 0.000512 -0.000066 -0.000142 0.000119 0.000358 27O 1f+1 -0.000357 -0.001499 0.000481 0.000020 -0.001391 0.000052 27O 1f-1 0.000248 0.000540 -0.000379 0.000340 0.000741 -0.000434 27O 1f+2 0.000342 0.000239 -0.000887 -0.000096 0.000452 -0.000135 27O 1f-2 0.000384 0.000565 -0.000205 -0.000356 -0.000252 0.000178 27O 1f+3 -0.000068 -0.001282 0.000388 0.000115 -0.001200 -0.000352 27O 1f-3 0.000509 0.001864 -0.001044 -0.000290 0.001631 -0.000014 28O 1s 0.007216 0.004671 -0.001591 -0.001975 0.000366 0.010006 28O 2s 0.018085 0.011453 -0.003439 -0.005344 0.000833 0.023834 28O 3s -0.035226 -0.024066 -0.001374 0.016164 -0.000411 -0.027187 28O 4s -0.002519 -0.080704 0.026951 -0.032176 -0.006502 -0.161839 28O 5s -0.515867 1.169208 0.216938 0.155947 0.031630 0.406247 28O 1pz 0.036819 0.046311 0.030166 0.009863 -0.032471 0.064463 28O 1px -0.089765 -0.024566 -0.001928 0.016840 -0.020238 -0.097826 28O 1py -0.010555 -0.006509 0.017925 -0.006057 -0.009333 0.018498 28O 2pz 0.055877 0.018297 0.028568 0.002121 -0.033570 0.073746 28O 2px -0.091339 0.011186 -0.005587 0.005941 -0.032480 -0.079425 28O 2py -0.003991 -0.011902 0.018445 -0.025492 0.007096 0.029110 28O 3pz 0.047063 -0.484163 -0.022626 0.011404 -0.121475 -0.084228 28O 3px -0.411838 0.555898 0.147640 0.139651 0.041442 -0.085249 28O 3py -0.089375 -0.114387 0.046385 0.128533 -0.157470 -0.088981 28O 1dz2 -0.002421 0.001274 0.001580 0.001021 -0.000073 0.002441 28O 1dxz -0.002137 0.002250 -0.000402 -0.000837 0.000150 -0.002436 28O 1dyz -0.001625 0.001873 0.000461 0.000615 -0.001137 0.000807 28O 1dx2y2 0.003892 -0.004029 -0.001132 -0.001479 0.000356 0.000051 28O 1dxy 0.001689 -0.001832 -0.001038 -0.001934 0.001598 0.000066 28O 2dz2 -0.009165 0.012516 0.005589 -0.004068 -0.011286 0.005889 28O 2dxz 0.005449 -0.039236 -0.008982 -0.004562 -0.004829 -0.024363 28O 2dyz -0.007958 0.013094 0.012198 -0.002620 -0.005432 0.014205 28O 2dx2y2 0.004328 0.015788 -0.000442 0.001670 -0.001282 0.011105 28O 2dxy 0.007505 -0.013680 -0.000617 0.002908 -0.001577 -0.000853 28O 1f0 -0.000015 0.000897 -0.000119 0.000066 0.000225 0.000176 28O 1f+1 -0.001187 0.001793 0.000809 0.000095 -0.000336 0.000085 28O 1f-1 0.000096 0.000016 0.000284 -0.000521 -0.000524 -0.000873 28O 1f+2 0.000885 -0.002249 -0.000674 -0.000093 -0.000126 -0.000017 28O 1f-2 -0.000794 0.001216 0.000837 0.000387 -0.000164 0.000519 28O 1f+3 -0.000068 -0.000789 0.000238 -0.000298 -0.000048 -0.000176 28O 1f-3 -0.000660 0.000656 0.000271 -0.000076 0.000275 -0.000314 29O 1s -0.008219 -0.002603 -0.005186 -0.013102 0.002217 0.002434 29O 2s -0.019830 -0.005829 -0.010827 -0.029165 0.004688 0.004699 29O 3s 0.028441 -0.001048 -0.016463 -0.011836 0.005479 0.019070 29O 4s 0.113265 0.063708 0.188524 0.317305 -0.074320 -0.107696 29O 5s -0.081539 0.026614 -0.025590 0.422150 0.005653 -0.150724 29O 1pz 0.014772 -0.034388 -0.001153 -0.007503 -0.035748 -0.004969 29O 1px -0.015111 -0.019808 -0.030350 -0.009262 -0.014629 0.009709 29O 1py -0.006763 -0.017301 -0.044743 -0.103415 0.018700 0.062778 29O 2pz 0.011103 -0.123063 0.006906 -0.019784 -0.084167 -0.008274 29O 2px 0.029110 -0.049249 -0.065318 -0.023886 -0.030221 0.044952 29O 2py -0.003048 -0.031410 -0.111788 -0.259099 0.047107 0.156240 29O 3pz 0.099443 -0.380951 -0.065079 -0.144498 -0.116302 0.188242 29O 3px -0.229950 -0.084232 0.330060 0.474923 -0.116925 -0.363534 29O 3py 0.018680 0.008902 -0.003499 -0.143491 0.012671 -0.006708 29O 1dz2 0.001114 -0.004211 -0.002531 -0.008094 -0.000740 0.004654 29O 1dxz 0.001234 0.001629 -0.002307 -0.005872 0.002138 0.002786 29O 1dyz 0.000697 -0.007590 0.000241 -0.000676 -0.003595 0.001334 29O 1dx2y2 -0.001319 0.000347 0.000135 0.001023 0.000264 -0.000610 29O 1dxy -0.000888 -0.002596 0.003110 0.006737 -0.002277 -0.003402 29O 2dz2 -0.001381 0.031187 0.001153 0.006246 0.008406 -0.007211 29O 2dxz 0.005901 -0.033270 0.005294 0.003025 -0.010442 0.003485 29O 2dyz -0.002344 0.029234 -0.000629 0.005592 0.009103 -0.006566 29O 2dx2y2 -0.003070 -0.013954 -0.000877 -0.000830 -0.003625 0.002086 29O 2dxy 0.000521 0.008780 -0.008843 -0.022944 0.007943 0.008597 29O 1f0 0.000327 -0.002152 -0.001506 -0.004620 0.000041 0.002183 29O 1f+1 0.000063 -0.001937 0.000687 0.001772 -0.001035 -0.000553 29O 1f-1 0.000260 -0.003616 -0.001711 -0.005390 -0.000196 0.002709 29O 1f+2 -0.000181 0.002011 0.000528 0.001908 0.000115 -0.000998 29O 1f-2 -0.000457 0.003443 -0.001645 -0.003741 0.002003 0.001220 29O 1f+3 0.000217 -0.001309 0.000792 0.001606 -0.000759 -0.000442 29O 1f-3 -0.000180 -0.001668 0.000709 0.001663 -0.000781 -0.000692 30O 1s 0.006735 0.006717 -0.000235 -0.001788 0.009651 -0.000791 30O 2s 0.016887 0.016151 -0.000180 -0.004540 0.022917 -0.002012 30O 3s -0.033358 -0.017471 -0.007837 0.011617 -0.025835 0.006929 30O 4s -0.008041 -0.044201 -0.009003 0.019223 -0.162749 -0.006626 30O 5s -0.281621 -0.999168 0.731027 -0.402095 0.462254 -0.129586 30O 1pz 0.050964 -0.008379 0.028471 0.026530 0.070679 0.021952 30O 1px -0.087961 -0.029569 -0.008757 0.015151 -0.061462 -0.006715 30O 1py -0.037824 0.046325 -0.044884 0.011772 -0.046680 -0.024994 30O 2pz 0.062127 0.025770 0.010116 0.053569 0.075425 0.035206 30O 2px -0.080344 -0.064557 0.006490 -0.001248 -0.038285 -0.019804 30O 2py -0.044723 -0.016526 -0.029681 0.013852 -0.056172 -0.046659 30O 3pz 0.038986 0.104015 -0.120902 -0.019641 -0.101883 0.084705 30O 3px -0.344589 -0.506432 0.378370 -0.123095 -0.043833 -0.120145 30O 3py -0.027815 0.200601 0.110057 -0.130525 0.163550 -0.079872 30O 1dz2 -0.002070 -0.003096 0.002157 -0.001102 -0.001172 0.000397 30O 1dxz -0.001810 -0.003292 0.001272 0.000561 -0.000056 -0.000303 30O 1dyz 0.000839 -0.001490 -0.001528 0.000278 -0.002079 -0.000719 30O 1dx2y2 0.004137 0.002222 -0.004466 0.000021 -0.002501 0.000413 30O 1dxy 0.001652 0.002536 0.000231 0.001290 0.001993 0.001088 30O 2dz2 -0.003263 -0.000739 -0.002786 0.000867 -0.001546 -0.002142 30O 2dxz -0.000902 0.015260 -0.016234 0.009066 -0.011868 0.005320 30O 2dyz 0.002454 0.023160 -0.028882 0.014945 -0.027927 0.000753 30O 2dx2y2 0.010833 0.003289 -0.003825 0.002137 -0.001817 -0.005886 30O 2dxy -0.000985 -0.009365 0.017590 -0.011609 0.014010 -0.008735 30O 1f0 -0.000496 -0.000010 0.000646 -0.000529 0.000473 -0.000498 30O 1f+1 -0.000320 -0.000456 0.000387 -0.000010 0.000087 -0.000153 30O 1f-1 -0.000202 -0.000091 0.000373 0.000315 0.000226 0.000397 30O 1f+2 -0.000306 0.001079 -0.000274 0.000233 0.000058 0.000203 30O 1f-2 0.000787 0.002017 -0.002315 0.001019 -0.000664 0.000650 30O 1f+3 -0.000806 -0.001109 0.001415 -0.000796 -0.000258 0.000017 30O 1f-3 0.000260 0.001088 -0.000653 0.000641 0.000001 0.000744 31O 1s 0.006860 0.006751 -0.000174 0.002465 0.009492 -0.000409 31O 2s 0.017274 0.016176 -0.000006 0.006164 0.022491 -0.001045 31O 3s -0.035524 -0.016410 -0.008618 -0.013758 -0.024389 0.004868 31O 4s -0.004465 -0.047397 -0.008399 -0.026654 -0.163168 -0.004200 31O 5s -0.291307 -0.998283 0.750508 0.393672 0.431815 -0.167674 31O 1pz -0.050185 0.006855 -0.027599 0.024819 -0.069876 -0.020189 31O 1px 0.089905 0.028913 0.009532 0.019040 0.060243 0.008156 31O 1py 0.037786 -0.046234 0.045875 0.010120 0.045348 0.025326 31O 2pz -0.059946 -0.029096 -0.007801 0.051481 -0.075557 -0.031475 31O 2px 0.081096 0.065118 -0.006756 0.002002 0.038948 0.019986 31O 2py 0.044027 0.016577 0.030428 0.012967 0.055350 0.048067 31O 3pz -0.033227 -0.102350 0.122411 -0.011742 0.091674 -0.105288 31O 3px 0.330914 0.515066 -0.387431 -0.113151 0.051832 0.150104 31O 3py 0.014989 -0.190338 -0.117858 -0.150499 -0.152312 0.083001 31O 1dz2 -0.002042 -0.003142 0.002218 0.000889 -0.001179 0.000147 31O 1dxz -0.001462 -0.003501 0.001290 -0.000586 -0.000131 -0.000496 31O 1dyz 0.000971 -0.001604 -0.001520 -0.000261 -0.002057 -0.000479 31O 1dx2y2 0.003854 0.002416 -0.004499 -0.000011 -0.002432 0.001033 31O 1dxy 0.001459 0.002739 0.000127 -0.001268 0.002097 0.000991 31O 2dz2 -0.002774 -0.000866 -0.002908 -0.000826 -0.001482 -0.002117 31O 2dxz -0.000767 0.015351 -0.016861 -0.009344 -0.010794 0.006049 31O 2dyz 0.001017 0.024250 -0.029613 -0.014940 -0.026479 0.001772 31O 2dx2y2 0.011928 0.002841 -0.003917 -0.001647 -0.001667 -0.005564 31O 2dxy -0.000211 -0.009908 0.018312 0.012310 0.013045 -0.009320 31O 1f0 0.000444 0.000054 -0.000680 -0.000578 -0.000423 0.000608 31O 1f+1 0.000215 0.000502 -0.000386 -0.000004 -0.000072 0.000174 31O 1f-1 0.000171 0.000088 -0.000360 0.000337 -0.000222 -0.000315 31O 1f+2 0.000368 -0.001143 0.000295 0.000221 -0.000076 -0.000100 31O 1f-2 -0.000644 -0.002118 0.002376 0.000992 0.000567 -0.000772 31O 1f+3 0.000870 0.001099 -0.001455 -0.000715 0.000295 0.000055 31O 1f-3 -0.000176 -0.001177 0.000697 0.000655 -0.000058 -0.000699 32O 1s -0.008566 -0.002723 -0.004708 0.013223 0.001357 0.003294 32O 2s -0.020684 -0.006047 -0.009765 0.029422 0.002771 0.006619 32O 3s 0.030155 -0.002449 -0.015968 0.011877 0.004886 0.019558 32O 4s 0.114826 0.070398 0.176862 -0.321596 -0.052890 -0.128468 32O 5s -0.074814 0.037237 -0.042236 -0.412198 0.023578 -0.170855 32O 1pz -0.013361 0.033874 0.000029 -0.002582 0.036235 0.007079 32O 1px 0.011828 0.022126 0.029564 -0.007843 0.015088 -0.008680 32O 1py 0.002692 0.022856 0.040889 -0.102800 -0.010847 -0.069549 32O 2pz -0.008018 0.121865 -0.009377 -0.006386 0.085133 0.012211 32O 2px -0.036056 0.053855 0.063459 -0.019311 0.031102 -0.042735 32O 2py -0.006172 0.046188 0.101949 -0.257740 -0.028225 -0.171356 32O 3pz -0.100642 0.388960 0.058230 -0.108644 0.123694 -0.186170 32O 3px 0.248041 0.057683 -0.310597 0.482803 0.090284 0.386437 32O 3py -0.004665 -0.002332 -0.003261 -0.144924 -0.005521 -0.004394 32O 1dz2 0.001131 -0.004159 -0.002252 0.007805 -0.001015 0.005009 32O 1dxz 0.001327 0.001576 -0.002114 0.006106 0.001883 0.003174 32O 1dyz 0.000664 -0.007781 0.000157 0.000414 -0.003619 0.001441 32O 1dx2y2 -0.001317 0.000595 0.000060 -0.000898 0.000382 -0.000638 32O 1dxy -0.000954 -0.002291 0.002790 -0.006782 -0.001832 -0.003670 32O 2dz2 -0.001404 0.029710 0.001085 -0.004427 0.008170 -0.006938 32O 2dxz 0.005729 -0.033878 0.005212 -0.005314 -0.010463 0.003320 32O 2dyz -0.002418 0.030250 -0.000797 -0.003820 0.009509 -0.006999 32O 2dx2y2 -0.003347 -0.014850 -0.000707 0.000001 -0.003830 0.001930 32O 2dxy 0.001275 0.006474 -0.007732 0.023465 0.006452 0.010396 32O 1f0 -0.000322 0.002145 0.001237 -0.004192 0.000191 -0.002247 32O 1f+1 -0.000067 0.001911 -0.000690 0.002120 0.000984 0.000769 32O 1f-1 -0.000319 0.003852 0.001571 -0.005388 0.000480 -0.003097 32O 1f+2 0.000187 -0.002133 -0.000544 0.002092 -0.000196 0.001252 32O 1f-2 0.000397 -0.003319 0.001467 -0.003865 -0.001769 -0.001413 32O 1f+3 -0.000183 0.001133 -0.000673 0.001552 0.000587 0.000498 32O 1f-3 0.000200 0.001681 -0.000640 0.001715 0.000686 0.000759 33O 1s 0.007356 0.004486 -0.001560 0.001795 0.000237 0.010220 33O 2s 0.018405 0.010987 -0.003348 0.004911 0.000487 0.024349 33O 3s -0.035205 -0.023120 -0.001742 -0.015660 0.000564 -0.027865 33O 4s -0.005478 -0.080402 0.028265 0.034946 -0.007840 -0.164513 33O 5s -0.506971 1.165730 0.211586 -0.163188 0.041389 0.413678 33O 1pz -0.040057 -0.045011 -0.029546 0.014003 0.033441 -0.063228 33O 1px 0.089712 0.023460 0.002348 0.015133 0.019885 0.100401 33O 1py 0.009594 0.007080 -0.018348 -0.003586 0.009371 -0.020349 33O 2pz -0.059819 -0.016342 -0.028415 0.006332 0.036807 -0.073399 33O 2px 0.091745 -0.012155 0.005692 0.005633 0.032692 0.081549 33O 2py 0.003510 0.012421 -0.019553 -0.023564 -0.006319 -0.031487 33O 3pz -0.055257 0.479322 0.023095 0.026344 0.111878 0.091612 33O 3px 0.412780 -0.554326 -0.141919 0.126828 -0.052961 0.090794 33O 3py 0.078061 0.117674 -0.041761 0.139949 0.153033 0.091513 33O 1dz2 -0.002406 0.001193 0.001564 -0.001145 -0.000025 0.002496 33O 1dxz -0.002377 0.002338 -0.000384 0.000955 0.000095 -0.002449 33O 1dyz -0.001713 0.001936 0.000441 -0.000653 -0.001179 0.000813 33O 1dx2y2 0.004081 -0.004110 -0.001079 0.001419 0.000273 0.000106 33O 1dxy 0.001746 -0.001917 -0.000971 0.001976 0.001552 0.000123 33O 2dz2 -0.009708 0.012778 0.005717 0.003227 -0.011686 0.006740 33O 2dxz 0.005114 -0.038551 -0.008699 0.004794 -0.005080 -0.024552 33O 2dyz -0.007389 0.012606 0.012307 0.001510 -0.005865 0.014288 33O 2dx2y2 0.002836 0.016640 -0.000647 -0.001872 -0.000939 0.011555 33O 2dxy 0.007439 -0.013716 -0.000729 -0.003223 -0.001515 -0.001054 33O 1f0 0.000053 -0.000905 0.000119 0.000036 -0.000251 -0.000183 33O 1f+1 0.001244 -0.001810 -0.000801 0.000109 0.000332 -0.000125 33O 1f-1 -0.000082 -0.000047 -0.000306 -0.000489 0.000540 0.000874 33O 1f+2 -0.000928 0.002255 0.000669 -0.000075 0.000137 -0.000022 33O 1f-2 0.000698 -0.001144 -0.000824 0.000420 0.000151 -0.000527 33O 1f+3 -0.000031 0.000845 -0.000258 -0.000265 0.000065 0.000181 33O 1f-3 0.000601 -0.000617 -0.000277 -0.000106 -0.000273 0.000333 34O 1s 0.010301 0.001704 -0.004495 -0.001800 -0.008715 -0.000496 34O 2s 0.025212 0.003682 -0.010218 -0.004973 -0.021342 -0.001274 34O 3s -0.041321 0.006525 0.004748 0.017458 0.037531 0.003852 34O 4s -0.083536 -0.026230 0.074122 -0.026695 0.102757 -0.005547 34O 5s 0.089528 -0.770897 0.041725 0.090445 -0.815907 0.074012 34O 1pz 0.031626 0.019971 -0.032468 -0.016044 0.028237 -0.005949 34O 1px -0.129383 -0.018433 0.008872 0.005500 0.099156 -0.009251 34O 1py 0.012111 0.000518 0.025817 0.007894 -0.032396 -0.015573 34O 2pz 0.026328 0.000897 -0.029867 -0.012756 0.037136 -0.015499 34O 2px -0.119049 -0.065030 -0.005150 0.000625 0.050273 -0.019163 34O 2py 0.034227 0.017663 0.024954 -0.013404 -0.014768 -0.018768 34O 3pz 0.157976 0.230988 -0.104144 -0.018659 0.010488 0.021546 34O 3px -0.170633 -0.606457 0.166274 -0.014923 -0.260005 0.017460 34O 3py -0.255814 0.067831 0.094778 0.151774 -0.020094 -0.013374 34O 1dz2 -0.001380 -0.001568 0.000684 -0.000513 0.001241 -0.000390 34O 1dxz -0.002307 -0.002160 0.001270 -0.000378 -0.001805 -0.000510 34O 1dyz -0.000096 -0.000841 0.000774 0.000678 -0.000142 0.000210 34O 1dx2y2 0.003111 0.006030 -0.001544 0.000741 0.000620 -0.000803 34O 1dxy 0.000982 0.001157 -0.001758 -0.000588 0.004330 -0.000601 34O 2dz2 -0.007859 0.012854 -0.001586 0.002657 0.027053 0.006310 34O 2dxz -0.006572 0.000332 0.004082 -0.000406 -0.007592 0.000384 34O 2dyz -0.003865 -0.006227 -0.006639 0.001981 0.015524 0.000884 34O 2dx2y2 0.014615 -0.016275 -0.004188 0.003419 -0.027405 0.004174 34O 2dxy -0.002620 0.020319 -0.007175 0.007212 0.030877 0.002907 34O 1f0 0.000201 -0.000500 0.000065 -0.000138 -0.000143 -0.000303 34O 1f+1 0.000303 0.001534 -0.000466 0.000138 0.001379 0.000018 34O 1f-1 -0.000222 -0.000550 0.000385 0.000257 -0.000741 0.000405 34O 1f+2 -0.000359 -0.000220 0.000883 -0.000153 -0.000433 0.000101 34O 1f-2 -0.000411 -0.000559 0.000202 -0.000347 0.000234 -0.000128 34O 1f+3 -0.000075 0.001384 -0.000380 0.000181 0.001184 0.000293 34O 1f-3 -0.000576 -0.001820 0.001020 -0.000461 -0.001606 -0.000130 35O 1s 0.010567 -0.007452 0.000183 -0.002110 0.003650 -0.005441 35O 2s 0.025727 -0.017257 0.001181 -0.005503 0.008867 -0.013683 35O 3s -0.039131 0.007464 -0.014277 0.016880 -0.013907 0.034078 35O 4s -0.094987 0.108160 0.038243 0.025030 -0.042852 0.050645 35O 5s 0.062902 0.749123 0.128372 -0.558282 0.075220 -1.124118 35O 1pz 0.003296 -0.027070 -0.018919 -0.019958 -0.017724 0.025625 35O 1px -0.135472 0.000554 -0.005219 0.006637 -0.045882 0.055758 35O 1py -0.046013 -0.045712 -0.014970 0.017441 -0.009265 0.062910 35O 2pz -0.020279 0.010115 -0.016477 -0.027041 -0.031379 -0.008963 35O 2px -0.128877 0.069670 -0.003531 -0.022873 -0.039164 -0.037507 35O 2py -0.056436 0.001589 -0.009154 0.026592 0.017842 0.029552 35O 3pz 0.278589 -0.405576 -0.049353 0.016552 0.015372 0.222985 35O 3px -0.278981 0.384838 0.217081 -0.271063 -0.039842 -0.443252 35O 3py 0.065947 -0.153438 0.043033 -0.232527 -0.154944 -0.150828 35O 1dz2 -0.002355 0.003021 0.000393 -0.001195 -0.001014 -0.001395 35O 1dxz -0.001931 0.000519 0.002264 -0.002431 -0.000457 -0.004474 35O 1dyz -0.000444 -0.002252 0.000807 -0.001492 -0.000504 -0.001405 35O 1dx2y2 0.004141 -0.003254 -0.001386 0.001287 0.000666 0.003021 35O 1dxy 0.001693 -0.004441 0.000057 0.001416 0.000283 -0.000009 35O 2dz2 -0.006867 -0.008350 -0.001848 0.011461 -0.000655 0.018475 35O 2dxz -0.005121 0.007365 0.005674 -0.009042 0.000778 -0.020826 35O 2dyz 0.005636 0.009531 0.007450 -0.012400 0.006622 -0.021962 35O 2dx2y2 0.010647 0.016865 0.005370 -0.010098 0.010833 -0.026806 35O 2dxy 0.008904 0.017867 0.010030 -0.021782 0.005248 -0.047233 35O 1f0 0.000558 -0.000463 -0.000757 0.000402 -0.000183 0.000927 35O 1f+1 0.000433 -0.001550 -0.000481 0.001293 -0.000270 0.001917 35O 1f-1 0.000187 -0.001691 -0.000799 0.000702 -0.000070 0.001652 35O 1f+2 -0.000639 0.001207 0.000503 -0.000314 -0.000308 -0.000960 35O 1f-2 -0.000140 -0.000354 0.000464 -0.000786 -0.000203 -0.000648 35O 1f+3 -0.000212 -0.001015 0.000230 -0.000474 -0.000442 0.000651 35O 1f-3 0.000481 -0.001558 -0.000972 0.002025 -0.000068 0.002924 180 181 182 183 184 185 0.39411 0.39565 0.39750 0.39935 0.40207 0.40339 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s 0.000726 -0.000300 -0.001093 -0.001056 -0.000160 -0.000299 0Rh 2s -0.001860 0.001443 0.002659 0.005734 0.001460 0.000282 0Rh 3s 0.003075 -0.000855 -0.004718 -0.002600 -0.000029 -0.001566 0Rh 4s 0.007847 -0.006531 -0.011124 -0.026301 -0.006860 -0.000844 0Rh 5s 0.001280 0.007598 -0.003618 0.036889 0.012360 -0.006699 0Rh 6s -0.045109 0.004107 0.070813 -0.015427 -0.012362 0.030943 0Rh 7s 0.240715 0.035283 -0.221744 0.299558 0.150914 -0.312632 0Rh 8s 0.030719 -0.059431 -0.766855 0.607269 -0.037753 0.314616 0Rh 1pz 0.005587 0.000271 0.008714 -0.007169 0.000406 -0.005923 0Rh 1px 0.003723 -0.001131 0.002573 -0.000144 -0.002662 0.002496 0Rh 1py -0.010632 0.004002 0.005343 0.000398 0.003908 -0.000587 0Rh 2pz -0.019220 -0.000956 -0.030303 0.024327 -0.001572 0.020730 0Rh 2px -0.012948 0.003981 -0.008658 0.000315 0.008854 -0.008369 0Rh 2py 0.036703 -0.013866 -0.018333 -0.001432 -0.013538 0.001995 0Rh 3pz 0.016684 0.001291 0.032597 -0.014600 0.004952 -0.025001 0Rh 3px 0.013970 -0.005160 0.003998 0.003172 -0.002139 0.003296 0Rh 3py -0.034293 0.013949 0.015029 0.002460 0.013547 -0.001322 0Rh 4pz 0.028686 -0.000207 0.020545 -0.061811 -0.012999 -0.002086 0Rh 4px 0.008473 0.000476 0.025205 -0.013577 -0.032151 0.026155 0Rh 4py -0.044897 0.013214 0.030655 -0.002530 0.013454 -0.004475 0Rh 5pz -0.007688 0.000937 0.042182 0.059585 0.040637 -0.065662 0Rh 5px 0.020851 -0.010956 -0.020119 0.025074 0.022424 -0.018532 0Rh 5py -0.012232 0.010522 -0.011742 0.008942 0.004579 0.005433 0Rh 6pz 0.016657 0.020314 -0.532505 -0.184907 -0.411233 0.902239 0Rh 6px -0.358572 0.095439 0.045763 -0.430871 0.158220 -0.013764 0Rh 6py 0.323620 -0.278205 0.044741 -0.128949 -0.006097 -0.106963 0Rh 1dz2 -0.001688 0.001169 0.006593 0.007177 -0.007693 0.000581 0Rh 1dxz 0.002314 -0.000916 -0.003134 0.002477 -0.003049 0.004557 0Rh 1dyz 0.002279 -0.000003 -0.007315 -0.001815 0.000940 -0.004207 0Rh 1dx2y2 -0.001659 0.004139 -0.003888 -0.003597 0.006312 0.001122 0Rh 1dxy 0.002434 -0.006814 0.005210 -0.004083 -0.003826 0.000401 0Rh 2dz2 -0.000105 0.000135 -0.001038 -0.000102 0.000945 -0.000360 0Rh 2dxz 0.000304 0.000282 0.000261 -0.000749 0.000368 -0.000540 0Rh 2dyz 0.000054 -0.000213 0.000438 -0.000146 -0.000613 0.000042 0Rh 2dx2y2 0.000217 -0.000332 0.001081 0.000688 -0.001489 0.000258 0Rh 2dxy -0.000798 0.001098 0.000506 0.000569 0.000467 -0.000188 0Rh 3dz2 0.003555 -0.002655 -0.007842 -0.012808 0.010281 0.000401 0Rh 3dxz -0.005569 0.000520 0.004708 -0.001404 0.004116 -0.006185 0Rh 3dyz -0.004467 0.001011 0.011704 0.003957 0.000737 0.007607 0Rh 3dx2y2 0.002167 -0.006245 0.002632 0.003726 -0.005475 -0.003179 0Rh 3dxy -0.001129 0.008076 -0.011773 0.005173 0.005117 0.000032 0Rh 4dz2 0.000773 -0.000788 -0.022705 -0.011005 0.022211 -0.005761 0Rh 4dxz 0.001819 0.005020 0.007179 -0.014558 0.008779 -0.012964 0Rh 4dyz -0.000971 -0.005314 0.014175 0.000169 -0.009062 0.005419 0Rh 4dx2y2 0.005162 -0.010129 0.020103 0.015041 -0.028360 0.002855 0Rh 4dxy -0.014186 0.022355 0.000594 0.013030 0.011116 -0.003096 0Rh 5dz2 0.014047 0.003736 0.040272 -0.012420 -0.028880 0.026928 0Rh 5dxz -0.039292 -0.017022 -0.005322 0.072871 -0.014141 0.012534 0Rh 5dyz -0.030407 0.052073 0.011848 0.015352 0.026999 0.022479 0Rh 5dx2y2 -0.010910 0.011462 -0.054670 -0.063020 0.078694 -0.034477 0Rh 5dxy 0.048588 -0.022165 -0.061997 -0.031368 -0.012872 0.013174 0Rh 1f0 -0.002287 0.002776 -0.000907 -0.001460 0.001355 0.001381 0Rh 1f+1 -0.001111 -0.002092 -0.000087 0.000761 -0.000218 0.002622 0Rh 1f-1 -0.001288 0.003806 0.002816 0.001048 0.006332 -0.004861 0Rh 1f+2 -0.002760 0.001791 -0.000258 -0.000088 -0.003118 0.003764 0Rh 1f-2 -0.000592 -0.005123 0.000310 0.001403 0.003809 -0.001973 0Rh 1f+3 0.000267 0.000220 0.001080 0.000642 0.000225 -0.000041 0Rh 1f-3 -0.000604 0.002580 -0.001158 0.000183 -0.000991 0.001502 1Rh 1s -0.000644 -0.000412 0.001068 0.001009 -0.000332 0.000096 1Rh 2s 0.001530 0.001715 -0.002546 -0.005442 0.002250 -0.001378 1Rh 3s -0.002806 -0.001335 0.004647 0.002507 -0.000538 -0.000291 1Rh 4s -0.006373 -0.007671 0.010611 0.024953 -0.010438 0.006613 1Rh 5s -0.002629 0.007243 0.004215 -0.034875 0.016561 -0.014301 1Rh 6s 0.042837 0.011298 -0.070539 0.014482 -0.011177 0.023801 1Rh 7s -0.214176 0.011209 0.224076 -0.277517 0.170278 -0.326131 1Rh 8s -0.048466 -0.130672 0.761616 -0.625976 0.040435 0.185086 1Rh 1pz 0.005132 -0.000702 0.008503 -0.007273 0.000078 0.006111 1Rh 1px 0.004201 0.000986 0.002590 0.000165 0.002599 -0.001971 1Rh 1py -0.011194 -0.004383 0.005166 0.000233 -0.004066 0.000466 1Rh 2pz -0.017702 0.002474 -0.029556 0.024705 -0.000081 -0.021345 1Rh 2px -0.014594 -0.003499 -0.008714 -0.000720 -0.008632 0.006585 1Rh 2py 0.038628 0.015172 -0.017724 -0.000877 0.014094 -0.001612 1Rh 3pz 0.016290 -0.003255 0.031581 -0.015346 -0.003723 0.024870 1Rh 3px 0.015459 0.005079 0.004020 0.003568 0.001845 -0.002205 1Rh 3py -0.035803 -0.014973 0.014479 0.002172 -0.014245 0.001589 1Rh 4pz 0.022853 0.000474 0.020870 -0.060625 0.016241 0.005684 1Rh 4px 0.010394 -0.002384 0.025418 -0.010272 0.032148 -0.021549 1Rh 4py -0.048454 -0.015576 0.029833 -0.004155 -0.013445 0.001521 1Rh 5pz 0.000156 -0.005783 0.039409 0.055255 -0.042665 0.059461 1Rh 5px 0.023681 0.012910 -0.020561 0.022515 -0.022560 0.012836 1Rh 5py -0.009733 -0.009286 -0.011582 0.011429 -0.006238 -0.000312 1Rh 6pz -0.022518 0.027253 -0.500466 -0.142326 0.410155 -0.833606 1Rh 6px -0.405538 -0.105202 0.051807 -0.437860 -0.134173 0.018092 1Rh 6py 0.331533 0.268007 0.047398 -0.159703 0.033288 0.060684 1Rh 1dz2 0.002121 0.001914 -0.006550 -0.007660 -0.007270 -0.001156 1Rh 1dxz -0.003099 -0.001203 0.003022 -0.002697 -0.002274 0.002895 1Rh 1dyz -0.001872 -0.000741 0.007258 0.001875 0.000944 -0.003105 1Rh 1dx2y2 0.001636 0.003737 0.004053 0.004148 0.006150 0.001094 1Rh 1dxy -0.003402 -0.006065 -0.005632 0.003761 -0.004306 0.000769 1Rh 2dz2 0.000076 0.000050 0.001033 0.000160 0.000924 -0.000290 1Rh 2dxz -0.000096 0.000279 -0.000234 0.000758 0.000265 -0.000403 1Rh 2dyz -0.000040 -0.000178 -0.000441 0.000114 -0.000633 0.000024 1Rh 2dx2y2 -0.000266 -0.000233 -0.001086 -0.000798 -0.001406 0.000012 1Rh 2dxy 0.000987 0.001118 -0.000443 -0.000510 0.000529 -0.000298 1Rh 3dz2 -0.004232 -0.003676 0.007786 0.013459 0.009591 0.003303 1Rh 3dxz 0.006155 0.001064 -0.004615 0.001773 0.003120 -0.003688 1Rh 3dyz 0.003659 0.002226 -0.011577 -0.003940 0.000814 0.005636 1Rh 3dx2y2 -0.001917 -0.005921 -0.002915 -0.004289 -0.005531 -0.002084 1Rh 3dxy 0.002136 0.006605 0.012292 -0.004823 0.005742 -0.000187 1Rh 4dz2 -0.001667 -0.002892 0.022516 0.012388 0.021286 -0.002253 1Rh 4dxz 0.001990 0.005305 -0.006679 0.014963 0.006284 -0.008847 1Rh 4dyz 0.000725 -0.003949 -0.014329 -0.000685 -0.009390 0.004022 1Rh 4dx2y2 -0.005871 -0.008216 -0.020395 -0.017237 -0.026851 -0.000800 1Rh 4dxy 0.017906 0.021725 0.000741 -0.011822 0.012610 -0.005082 1Rh 5dz2 -0.014939 0.005751 -0.039182 0.010530 -0.026920 0.022425 1Rh 5dxz 0.028146 -0.015417 0.004199 -0.072744 -0.007310 0.005900 1Rh 5dyz 0.026503 0.052995 -0.008727 -0.013693 0.029342 0.014903 1Rh 5dx2y2 0.016028 0.006460 0.054677 0.068413 0.069548 -0.009608 1Rh 5dxy -0.055448 -0.027553 0.060535 0.028612 -0.016149 0.020279 1Rh 1f0 -0.002637 -0.002714 -0.000927 -0.001387 -0.001222 -0.001531 1Rh 1f+1 -0.001094 0.002006 0.000211 0.000897 0.000251 -0.002700 1Rh 1f-1 -0.000707 -0.004012 0.002437 0.000620 -0.006369 0.005044 1Rh 1f+2 -0.003210 -0.001766 -0.000246 0.000381 0.002818 -0.002766 1Rh 1f-2 -0.000427 0.005046 0.000666 0.001312 -0.003851 0.001874 1Rh 1f+3 0.000620 -0.000306 0.001039 0.000575 -0.000293 0.000071 1Rh 1f-3 -0.000594 -0.002455 -0.001353 0.000183 0.000871 -0.001129 2C 1s 0.000865 0.003661 0.005305 -0.022916 -0.010428 -0.008028 2C 2s 0.001517 0.001459 0.017324 -0.047852 -0.023301 -0.016078 2C 3s 0.015054 0.238913 -0.224727 -0.029754 0.038581 -0.037129 2C 4s -0.126471 -1.640289 1.184720 1.149881 0.204874 0.559260 2C 5s 0.317965 4.118987 -2.469152 -4.894372 -0.288099 -2.441391 2C 1pz 0.005843 0.124556 -0.144384 0.050750 0.085934 -0.027059 2C 1px 0.017085 0.037751 -0.076546 0.049376 -0.009871 0.017580 2C 1py 0.020412 0.080245 -0.090694 0.028313 0.039132 0.007489 2C 2pz -0.023688 -0.004498 0.009996 -0.046088 0.143512 -0.111821 2C 2px 0.093257 0.075910 -0.211038 0.204396 -0.147397 0.107389 2C 2py 0.058018 0.001515 0.003600 -0.051121 -0.031047 -0.005993 2C 3pz -0.015222 -1.075239 1.292083 -0.380097 -0.160307 0.340947 2C 3px -0.098216 -0.293394 0.612144 -0.398825 0.602223 -0.047189 2C 3py -0.216005 -0.684156 0.597937 -0.408540 -0.293757 -0.715020 2C 1dz2 -0.001039 -0.001989 0.001719 -0.001600 -0.000054 -0.002991 2C 1dxz 0.001056 0.000608 -0.001785 0.002829 -0.004349 0.000766 2C 1dyz -0.000393 -0.002797 0.004325 -0.002258 -0.000256 0.000852 2C 1dx2y2 -0.001219 -0.000404 0.000278 -0.000115 0.000281 -0.002922 2C 1dxy 0.000985 -0.000165 -0.000584 0.000259 -0.003730 0.000849 2C 2dz2 -0.022433 -0.101077 0.107259 -0.085220 -0.053323 -0.065991 2C 2dxz -0.004492 -0.062259 0.063107 0.000116 -0.081059 -0.029831 2C 2dyz -0.004821 -0.152825 0.180335 -0.066689 -0.064809 0.031753 2C 2dx2y2 0.005332 0.053112 -0.067710 0.026258 -0.014078 -0.025604 2C 2dxy -0.002454 -0.028731 0.042683 0.014589 -0.036922 0.023545 2C 1f0 0.000418 -0.005385 0.002961 0.001027 -0.003210 0.000961 2C 1f+1 -0.000126 -0.004989 0.004606 0.002269 -0.002220 0.002822 2C 1f-1 -0.002838 -0.020795 0.021364 -0.002508 -0.002714 0.001196 2C 1f+2 0.000148 0.015793 -0.011446 -0.007127 0.001803 -0.006063 2C 1f-2 -0.001839 -0.016389 0.014079 0.008533 -0.001933 0.003446 2C 1f+3 0.001109 0.006392 -0.002615 -0.009411 -0.006500 -0.005364 2C 1f-3 0.001824 0.001665 -0.002773 -0.000116 -0.002367 0.001784 3C 1s 0.006440 -0.007150 -0.006214 -0.016735 0.000271 0.007963 3C 2s 0.021095 -0.010263 -0.011778 -0.034593 -0.000448 0.017789 3C 3s -0.277993 -0.187548 -0.054980 -0.043402 0.038784 -0.033481 3C 4s 1.457515 1.478077 0.592127 0.952223 -0.255164 -0.104715 3C 5s -3.033444 -3.521775 -2.428422 -3.544357 0.964147 0.492099 3C 1pz -0.074762 -0.034008 -0.015635 -0.000061 0.031092 -0.018793 3C 1px -0.082506 -0.032582 -0.011681 0.061883 0.011920 -0.009807 3C 1py 0.189827 0.072995 0.024299 -0.003983 -0.030474 0.056738 3C 2pz 0.109123 0.058637 -0.036828 -0.070738 0.053240 -0.006742 3C 2px -0.083863 -0.043804 -0.008619 0.285370 -0.008527 0.029037 3C 2py 0.059594 -0.032571 0.064402 0.125257 -0.029119 0.018094 3C 3pz 0.560112 0.377626 0.158430 0.139425 -0.417881 -0.357110 3C 3px 0.609401 0.380911 -0.001307 -0.532172 0.058584 -0.181461 3C 3py -1.579250 -0.899617 -0.016330 0.204865 -0.106474 -0.680690 3C 1dz2 -0.000695 -0.000113 -0.001219 -0.002357 0.002006 0.002016 3C 1dxz 0.000256 -0.000843 0.001747 0.005279 -0.000197 0.002447 3C 1dyz -0.004903 -0.002488 0.001421 0.003221 -0.001029 -0.002124 3C 1dx2y2 -0.001429 -0.001379 0.000716 0.002739 0.000851 0.001638 3C 1dxy -0.001436 0.000013 -0.001047 -0.003129 0.002383 -0.001177 3C 2dz2 -0.050787 -0.016624 -0.014453 -0.015286 0.032859 0.030257 3C 2dxz 0.078899 0.039304 -0.001684 -0.023728 -0.003976 0.046462 3C 2dyz -0.181909 -0.085960 -0.007400 0.057807 0.003557 -0.095919 3C 2dx2y2 -0.135630 -0.071336 -0.012427 0.036944 0.039005 0.012186 3C 2dxy -0.139898 -0.056053 -0.014227 -0.028140 0.033097 -0.039580 3C 1f0 -0.010933 -0.002998 -0.000323 0.002101 0.001878 -0.000783 3C 1f+1 -0.000519 0.000855 0.000987 0.004847 -0.001079 0.001227 3C 1f-1 0.003650 0.003974 0.002909 0.007782 -0.001437 -0.003004 3C 1f+2 -0.024108 -0.019678 -0.007453 -0.006492 0.003233 -0.000643 3C 1f-2 -0.018369 -0.014078 -0.005525 -0.009427 0.003723 -0.002144 3C 1f+3 0.013647 0.008059 0.001490 -0.001938 -0.001347 0.004855 3C 1f-3 -0.002622 -0.000946 -0.000445 0.000088 0.001118 -0.003205 4C 1s 0.003071 0.025574 -0.016130 -0.010370 -0.003941 -0.004800 4C 2s 0.006654 0.056882 -0.036222 -0.021403 -0.008180 -0.010122 4C 3s 0.004064 -0.128789 0.119209 -0.027668 0.003328 0.005433 4C 4s -0.175664 -0.383552 -0.003319 0.593069 0.124765 0.181066 4C 5s 0.290304 1.412746 -2.149002 1.404883 -0.200467 0.511640 4C 1pz 0.007836 0.075381 -0.136602 0.112811 0.165050 0.047192 4C 1px 0.039486 0.050742 -0.072586 0.086936 -0.052588 0.057660 4C 1py 0.002420 0.067526 -0.121775 0.083112 0.017218 -0.063267 4C 2pz -0.013309 -0.121867 0.001874 0.092543 0.145835 0.166972 4C 2px 0.035481 -0.080688 0.180853 0.285398 -0.118208 0.209687 4C 2py -0.064037 -0.114859 0.007723 0.122113 -0.175277 -0.244096 4C 3pz -0.009876 -0.119191 0.108471 -0.917931 -0.158547 -1.101564 4C 3px -0.297804 -0.428906 0.606124 -0.468097 -0.188524 -0.287786 4C 3py 0.163779 -0.257423 0.560482 -0.511719 0.655948 0.637268 4C 1dz2 0.003622 0.004088 -0.009417 0.008066 0.001860 0.003628 4C 1dxz -0.001211 -0.001213 0.000436 -0.001572 0.012817 -0.002417 4C 1dyz -0.000011 0.002003 -0.005932 0.007581 0.006029 -0.000968 4C 1dx2y2 -0.001449 -0.003147 0.007995 -0.005780 -0.005883 -0.000141 4C 1dxy -0.003541 -0.002427 0.006658 -0.002811 0.005242 -0.000949 4C 2dz2 0.025538 0.165510 -0.179339 0.012376 0.059837 0.056501 4C 2dxz -0.017185 0.020401 0.028091 0.096905 0.068383 0.047966 4C 2dyz 0.001903 0.179116 -0.200178 0.056993 0.032142 -0.024851 4C 2dx2y2 -0.025570 -0.083152 0.119654 -0.034065 -0.034072 0.029554 4C 2dxy -0.015773 -0.005900 0.026571 0.017069 0.013100 -0.003246 4C 1f0 0.000844 -0.000457 0.002858 0.000203 0.002911 0.003182 4C 1f+1 0.001077 -0.000650 0.001714 -0.002416 0.001187 -0.000108 4C 1f-1 0.000027 -0.012164 0.011366 -0.003981 -0.004065 0.000996 4C 1f+2 -0.000321 0.006121 -0.009441 -0.000333 0.001180 0.002942 4C 1f-2 0.000203 -0.006629 0.008030 0.000888 0.001193 0.004644 4C 1f+3 0.000104 -0.001106 -0.003387 -0.005126 -0.001447 -0.002825 4C 1f-3 0.003418 0.004892 -0.005410 -0.005888 0.002281 0.000707 5C 1s -0.019685 -0.020382 -0.008995 -0.006399 0.000681 -0.000242 5C 2s -0.044637 -0.044771 -0.019674 -0.013341 0.001240 -0.000457 5C 3s 0.175330 0.083741 0.025783 -0.011575 0.035392 -0.023160 5C 4s -0.192017 0.424989 0.251006 0.350951 -0.275164 0.218717 5C 5s -2.477514 -1.137862 -0.052173 0.953538 -0.418328 -0.294373 5C 1pz -0.111560 -0.015029 0.009102 0.025958 0.003947 -0.133142 5C 1px -0.087045 -0.057819 0.008189 0.112103 -0.041733 -0.030862 5C 1py 0.176990 0.026278 0.005970 -0.036054 -0.077007 0.027077 5C 2pz -0.020874 0.058898 0.091561 0.119071 -0.223338 -0.259043 5C 2px 0.031908 0.095128 0.006487 0.029789 0.020574 -0.074858 5C 2py -0.006496 -0.122638 -0.037729 -0.066512 -0.008881 -0.235794 5C 3pz 0.288401 0.192499 -0.590967 -0.385126 0.471540 1.018858 5C 3px 0.427419 0.519703 -0.009566 -0.679618 0.264362 0.449724 5C 3py -0.377237 -0.294750 0.429836 0.246779 0.257116 0.546109 5C 1dz2 -0.002584 -0.002631 0.000278 0.005413 -0.001191 -0.002376 5C 1dxz -0.005173 0.002228 -0.003583 -0.006305 0.004674 -0.006629 5C 1dyz 0.005686 0.000107 -0.002285 -0.009215 0.001939 0.000660 5C 1dx2y2 0.009983 0.002170 0.000767 -0.012169 -0.001946 0.003761 5C 1dxy 0.004325 -0.004394 0.003301 0.009576 -0.006712 0.003964 5C 2dz2 0.025027 0.003715 0.004393 0.010353 -0.046154 -0.057076 5C 2dxz -0.085482 -0.032276 0.013929 0.032167 0.078678 -0.108993 5C 2dyz 0.225215 0.137463 0.006837 -0.043963 0.048262 0.056612 5C 2dx2y2 0.186141 0.141048 -0.006781 -0.041678 -0.044371 0.031179 5C 2dxy 0.105731 0.037915 0.025951 0.046528 -0.078326 0.057412 5C 1f0 -0.008638 -0.005932 -0.003098 -0.003430 0.005641 -0.005547 5C 1f+1 -0.000814 -0.004614 -0.000265 0.001520 0.002726 -0.001269 5C 1f-1 -0.001416 0.000348 -0.000649 -0.002075 0.005392 0.004929 5C 1f+2 -0.012261 -0.006419 0.000807 0.002353 -0.000682 -0.004235 5C 1f-2 -0.011375 -0.006418 0.000332 0.003114 -0.006857 0.005903 5C 1f+3 0.009275 0.001871 0.000461 -0.000907 0.000617 -0.000556 5C 1f-3 -0.005177 0.001127 -0.000220 0.000897 -0.003090 0.004695 6C 1s 0.020629 -0.021312 0.007484 0.006380 0.001103 -0.002648 6C 2s 0.046697 -0.046777 0.016343 0.013309 0.002165 -0.005517 6C 3s -0.178017 0.084221 -0.019113 0.013074 0.033818 -0.025756 6C 4s 0.166765 0.464349 -0.221747 -0.362036 -0.285533 0.330322 6C 5s 2.559674 -1.120717 -0.054912 -0.984342 -0.325342 -0.318136 6C 1pz -0.112600 0.012557 0.008524 0.018283 -0.002932 0.114423 6C 1px -0.089741 0.056648 0.012261 0.116766 0.030698 0.044672 6C 1py 0.180879 -0.024388 0.001602 -0.029924 0.078230 -0.003908 6C 2pz -0.011327 -0.069159 0.077996 0.116542 0.227313 0.228757 6C 2px 0.026257 -0.094628 0.002815 0.025276 -0.033642 0.107393 6C 2py -0.010829 0.130513 -0.033903 -0.072988 0.004809 0.270954 6C 3pz 0.284816 -0.131118 -0.586037 -0.378568 -0.474478 -0.943012 6C 3px 0.400966 -0.520599 -0.024182 -0.687525 -0.199003 -0.578549 6C 3py -0.397473 0.242478 0.480473 0.282991 -0.254067 -0.635611 6C 1dz2 0.002595 -0.002641 -0.000426 -0.005506 -0.000621 -0.003031 6C 1dxz 0.005127 0.001902 0.003696 0.007003 0.004144 -0.004295 6C 1dyz -0.005945 -0.000197 0.002277 0.009286 0.001474 0.000403 6C 1dx2y2 -0.010102 0.002130 -0.000549 0.012048 -0.002973 0.003799 6C 1dxy -0.004305 -0.004171 -0.003487 -0.010585 -0.005832 0.001490 6C 2dz2 -0.025689 0.002770 -0.002514 -0.012388 -0.047400 -0.047880 6C 2dxz 0.086189 -0.030304 -0.015423 -0.023477 0.082823 -0.114761 6C 2dyz -0.228818 0.136215 0.001959 0.046112 0.044978 0.053597 6C 2dx2y2 -0.188935 0.139348 0.017321 0.042597 -0.048102 0.026126 6C 2dxy -0.110653 0.039347 -0.021534 -0.055004 -0.077662 0.045574 6C 1f0 -0.008937 0.006204 -0.002621 -0.003955 -0.005772 0.005509 6C 1f+1 -0.000847 0.004674 0.000028 0.001580 -0.002831 0.001435 6C 1f-1 -0.001557 -0.000316 -0.000496 -0.002220 -0.005390 -0.004772 6C 1f+2 -0.012475 0.006256 0.001214 0.002256 0.000564 0.003955 6C 1f-2 -0.011486 0.006206 0.000824 0.003831 0.006910 -0.006882 6C 1f+3 0.009379 -0.001726 0.000286 -0.000752 -0.000425 0.000290 6C 1f-3 -0.005227 -0.001283 -0.000226 0.001065 0.003209 -0.005201 7C 1s -0.002468 0.024260 0.018078 0.010598 -0.004294 -0.004749 7C 2s -0.005515 0.053987 0.040564 0.021963 -0.008936 -0.009851 7C 3s 0.006441 -0.122483 -0.129950 0.024900 0.003765 -0.003971 7C 4s 0.083507 -0.363065 -0.020121 -0.588341 0.136761 0.227239 7C 5s -0.235580 1.293565 2.246304 -1.386058 -0.107196 0.510238 7C 1pz 0.019984 -0.068790 -0.141337 0.100917 -0.165433 -0.066871 7C 1px 0.018994 -0.045954 -0.074750 0.091123 0.043941 -0.049981 7C 1py 0.004507 -0.060509 -0.129128 0.076025 -0.021571 0.059756 7C 2pz 0.000006 0.117511 0.014728 0.092640 -0.147632 -0.181415 7C 2px 0.038030 0.061201 0.192228 0.300634 0.107732 -0.215854 7C 2py -0.047405 0.112017 0.008878 0.119969 0.167580 0.244906 7C 3pz 0.040923 0.130497 0.097847 -0.940248 0.198064 1.149712 7C 3px -0.215862 0.383488 0.629785 -0.477919 0.230438 0.293119 7C 3py 0.201465 0.217052 0.604285 -0.510457 -0.602971 -0.654182 7C 1dz2 -0.002731 0.003477 0.009615 -0.007877 0.002591 0.003211 7C 1dxz -0.000992 -0.001020 -0.000494 0.002533 0.011804 0.000286 7C 1dyz -0.000512 0.001817 0.006153 -0.006925 0.006231 -0.000418 7C 1dx2y2 0.001530 -0.002710 -0.008233 0.005213 -0.006147 -0.000174 7C 1dxy 0.001802 -0.001809 -0.006834 0.003103 0.004427 0.000425 7C 2dz2 -0.013286 0.152078 0.189254 -0.008772 0.060477 0.067670 7C 2dxz 0.001861 0.023989 -0.027666 -0.093004 0.070092 0.049805 7C 2dyz -0.008293 0.166701 0.216019 -0.049184 0.034718 -0.018802 7C 2dx2y2 0.018361 -0.073780 -0.126756 0.028577 -0.036578 0.023496 7C 2dxy 0.000858 -0.003339 -0.027914 -0.016582 0.011742 0.006624 7C 1f0 0.000329 0.000233 0.002960 0.000262 -0.002959 -0.003205 7C 1f+1 0.000327 0.000665 0.001734 -0.002508 -0.001208 0.000740 7C 1f-1 -0.000778 0.011476 0.012344 -0.003437 0.003982 0.000197 7C 1f+2 -0.000222 -0.005635 -0.009987 -0.000379 -0.001149 -0.003299 7C 1f-2 0.000732 0.006005 0.008678 0.001178 -0.001119 -0.004857 7C 1f+3 -0.000495 0.001484 -0.003332 -0.005104 0.001532 0.002747 7C 1f-3 0.001740 -0.004206 -0.005649 -0.006030 -0.002218 -0.000347 8C 1s -0.006574 -0.008072 0.005852 0.016228 -0.000033 0.004993 8C 2s -0.021516 -0.012125 0.011355 0.033449 -0.001179 0.011591 8C 3s 0.283686 -0.191485 0.041621 0.045683 0.041937 -0.038489 8C 4s -1.486291 1.539938 -0.493251 -0.945329 -0.262987 0.052505 8C 5s 3.083905 -3.783635 2.213202 3.571307 0.951644 -0.020391 8C 1pz -0.076018 0.034158 -0.012549 -0.003063 -0.031439 0.014572 8C 1px -0.085322 0.033254 -0.008978 0.061713 -0.018985 0.019871 8C 1py 0.195531 -0.074208 0.018502 0.000847 0.031557 -0.044140 8C 2pz 0.115079 -0.057298 -0.041005 -0.078011 -0.046092 -0.001436 8C 2px -0.089765 0.045860 -0.005635 0.292580 -0.024434 0.042684 8C 2py 0.065829 0.024587 0.066068 0.132403 0.020279 0.009767 8C 3pz 0.575621 -0.382559 0.113869 0.145682 0.413530 0.388572 8C 3px 0.650021 -0.377148 -0.041243 -0.566572 0.001913 0.108833 8C 3py -1.608288 0.892187 0.043553 0.189408 0.079495 0.650490 8C 1dz2 0.000762 -0.000212 0.001108 0.002364 0.001827 0.002380 8C 1dxz -0.000283 -0.000680 -0.001813 -0.005517 0.000302 0.001171 8C 1dyz 0.005103 -0.002369 -0.001583 -0.003336 -0.000759 -0.002310 8C 1dx2y2 0.001488 -0.001250 -0.000858 -0.002810 0.001117 0.001156 8C 1dxy 0.001341 -0.000041 0.001042 0.003441 0.002130 -0.000708 8C 2dz2 0.051732 -0.017359 0.011977 0.016409 0.032438 0.033660 8C 2dxz -0.079527 0.038530 0.003959 0.021532 -0.005815 0.048093 8C 2dyz 0.185736 -0.084660 0.001447 -0.053826 0.008539 -0.089602 8C 2dx2y2 0.141448 -0.071222 0.005084 -0.037061 0.043223 0.014723 8C 2dxy 0.142049 -0.056503 0.010104 0.032113 0.030392 -0.026333 8C 1f0 -0.011310 0.002920 0.000066 0.002119 -0.001946 -0.000270 8C 1f+1 -0.000740 -0.000699 0.000852 0.004897 0.000681 -0.000567 8C 1f-1 0.003845 -0.004308 0.002574 0.007637 0.001112 0.002995 8C 1f+2 -0.024667 0.020330 -0.006038 -0.006409 -0.003776 0.002683 8C 1f-2 -0.018903 0.014740 -0.004602 -0.009824 -0.003592 0.002235 8C 1f+3 0.013717 -0.007993 0.000937 -0.001736 0.001655 -0.005206 8C 1f-3 -0.002766 0.000941 -0.000392 -0.000323 -0.001014 0.002077 9C 1s 0.000073 0.003461 -0.004871 0.022021 -0.011564 -0.008333 9C 2s 0.000536 0.001472 -0.016913 0.045759 -0.025618 -0.017062 9C 3s -0.016935 0.222544 0.244124 0.036627 0.034733 -0.023711 9C 4s 0.098241 -1.528824 -1.323072 -1.154884 0.274695 0.492556 9C 5s -0.341254 3.841131 2.827402 4.931490 -0.578097 -2.277142 9C 1pz 0.012088 -0.115697 -0.153942 0.040559 -0.084798 0.017130 9C 1px 0.011894 -0.032113 -0.078799 0.048974 0.004915 -0.011438 9C 1py 0.021268 -0.075359 -0.097897 0.024997 -0.039814 -0.018326 9C 2pz -0.005935 0.003272 0.010389 -0.060092 -0.131640 0.102539 9C 2px 0.053688 -0.060142 -0.214422 0.214173 0.121944 -0.067378 9C 2py 0.051824 -0.001836 0.001036 -0.046075 0.031434 -0.012609 9C 3pz -0.033273 0.987260 1.378634 -0.328341 0.172195 -0.273056 9C 3px -0.016054 0.246652 0.636235 -0.417571 -0.544461 -0.064401 9C 3py -0.187376 0.660247 0.646531 -0.412495 0.307698 0.766130 9C 1dz2 0.000590 -0.001896 -0.001799 0.001702 -0.000205 -0.002957 9C 1dxz -0.000247 0.000489 0.001865 -0.003065 -0.003891 -0.000329 9C 1dyz 0.000191 -0.002491 -0.004559 0.002099 -0.000377 0.000715 9C 1dx2y2 0.000855 -0.000376 -0.000217 0.000252 0.000228 -0.003042 9C 1dxy -0.000300 -0.000257 0.000526 -0.000511 -0.003383 0.000484 9C 2dz2 0.020636 -0.094074 -0.112147 0.081249 -0.057182 -0.067516 9C 2dxz 0.008499 -0.058362 -0.066774 -0.004691 -0.076971 -0.040579 9C 2dyz 0.011503 -0.142403 -0.193912 0.057338 -0.067135 0.020532 9C 2dx2y2 -0.002941 0.048782 0.073240 -0.024202 -0.011661 -0.025176 9C 2dxy 0.006555 -0.026123 -0.045322 -0.018539 -0.034764 0.012335 9C 1f0 -0.000035 0.005013 0.003233 0.001291 0.002966 -0.000970 9C 1f+1 -0.000496 0.004640 0.004949 0.002731 0.001987 -0.001904 9C 1f-1 -0.002632 0.019186 0.022906 -0.001994 0.002836 -0.000402 9C 1f+2 0.000588 -0.015265 -0.013188 -0.007773 -0.001134 0.004968 9C 1f-2 -0.001674 0.015095 0.015330 0.008648 0.001190 -0.002199 9C 1f+3 0.000544 -0.005732 -0.002975 -0.008992 0.006773 0.005218 9C 1f-3 0.001170 -0.001735 -0.003091 -0.000291 0.002484 -0.001124 10H 1s -0.009020 -0.010236 0.023241 -0.026687 0.021966 -0.014868 10H 2s -0.107319 -0.085779 0.250575 -0.301155 0.168423 -0.213039 10H 3s 0.123285 -1.319177 0.666239 1.412831 -0.654508 0.780937 10H 1pz -0.002119 0.011469 -0.006006 -0.010125 0.003079 -0.008631 10H 1px 0.004762 -0.010693 -0.000585 0.023739 -0.005595 0.015158 10H 1py -0.000159 0.005206 -0.005758 -0.005039 -0.003952 -0.007454 11H 1s 0.000951 -0.000517 -0.005771 0.005472 -0.010114 -0.014510 11H 2s 0.044452 0.061957 -0.096446 0.090479 -0.010298 0.038211 11H 3s -0.174588 -1.627991 1.617046 0.625284 0.400912 0.689040 11H 1pz 0.004122 0.019396 -0.013319 -0.001789 0.008898 0.012252 11H 1px 0.003826 0.017196 -0.015973 -0.003831 0.000774 0.002910 11H 1py 0.001304 -0.006818 0.006353 0.004456 0.007883 0.009583 12H 1s 0.010598 0.001670 -0.000959 -0.001402 -0.012101 0.016465 12H 2s 0.120673 0.069815 -0.092612 -0.060443 -0.235187 0.017671 12H 3s -0.370216 -1.661176 1.360387 0.680180 0.495200 0.032293 12H 1pz -0.003205 -0.000069 -0.002408 0.003613 0.002253 -0.011852 12H 1px 0.004018 0.012655 -0.012456 -0.003971 -0.004854 -0.001612 12H 1py 0.004976 0.022978 -0.021346 -0.015054 -0.015944 -0.015458 13H 1s 0.016445 0.010581 -0.010615 -0.040436 0.011585 0.003816 13H 2s 0.164843 0.074731 -0.105983 -0.433628 0.073083 -0.003944 13H 3s 1.152094 1.083493 0.695235 1.550123 -0.558645 0.061072 13H 1pz -0.008809 -0.010628 -0.006109 -0.013275 0.000849 -0.006694 13H 1px 0.004078 0.007268 0.010057 0.026589 -0.004725 -0.002161 13H 1py 0.009501 0.007804 0.003418 0.007205 0.000338 0.002422 14H 1s 0.006434 -0.002593 0.003156 0.020324 0.005062 0.018708 14H 2s -0.000076 -0.079816 0.018182 0.234060 -0.013449 0.044284 14H 3s 1.441264 1.464751 0.528681 0.122143 -0.184641 -0.313496 14H 1pz -0.011261 -0.011807 -0.003373 -0.000392 -0.003244 -0.009428 14H 1px -0.021016 -0.020929 -0.004485 0.003618 0.000550 -0.003289 14H 1py 0.005564 0.000173 0.000520 0.003481 0.003062 0.014223 15H 1s -0.003055 0.000292 0.000160 -0.001431 -0.009413 -0.011609 15H 2s -0.103128 -0.047611 -0.044604 -0.098733 -0.001047 0.080465 15H 3s 1.781249 1.444371 0.532081 0.541818 0.032932 0.212899 15H 1pz 0.012395 0.011367 0.002807 0.007133 0.003829 0.003598 15H 1px -0.008955 -0.005638 -0.001323 -0.000849 0.005293 0.006025 15H 1py 0.023994 0.018906 0.010960 0.016639 -0.011636 -0.018215 16H 1s -0.000292 -0.001492 0.029766 0.011295 -0.049039 -0.004022 16H 2s -0.052697 -0.031410 0.451081 0.257298 -0.600624 -0.021555 16H 3s 0.059915 0.028802 -0.164075 -0.234741 0.178282 0.185009 16H 1pz -0.002649 -0.002984 0.023107 0.024470 -0.022043 -0.007206 16H 1px 0.004949 0.000718 -0.009998 -0.007250 0.003153 0.000805 16H 1py -0.002092 -0.000513 0.011821 0.003809 -0.018351 0.006987 17H 1s -0.015077 0.001355 0.023330 -0.022936 -0.044422 0.051602 17H 2s -0.186826 0.047578 0.243829 -0.277649 -0.655445 0.703473 17H 3s 0.084158 -0.038906 0.053898 0.270609 0.240065 -0.419760 17H 1pz 0.003129 -0.001662 -0.003587 0.010428 0.012907 -0.019772 17H 1px 0.005891 -0.004726 -0.000938 0.016167 0.026585 -0.030986 17H 1py -0.006081 0.002029 0.011424 -0.004657 -0.025188 0.020022 18H 1s 0.013099 0.003042 -0.023955 0.019388 -0.044988 0.046698 18H 2s 0.166949 0.066307 -0.253359 0.220263 -0.656663 0.622821 18H 3s -0.088039 -0.027942 -0.048375 -0.247610 0.240079 -0.361273 18H 1pz 0.002915 0.001885 -0.004175 0.009465 -0.013838 0.017368 18H 1px 0.006027 0.004690 -0.001486 0.013550 -0.026629 0.026414 18H 1py -0.005315 -0.003097 0.011708 -0.002092 0.024575 -0.017010 19H 1s -0.002148 0.001986 -0.029120 -0.015180 -0.048559 -0.001512 19H 2s 0.009302 0.018881 -0.442449 -0.306002 -0.586739 -0.002261 19H 3s -0.035978 0.005779 0.157327 0.249198 0.171941 0.150291 19H 1pz -0.000086 0.000358 0.022210 0.025982 0.020393 0.005844 19H 1px 0.003873 0.000281 -0.010021 -0.007715 -0.003151 -0.000549 19H 1py -0.000854 -0.000580 0.012136 0.005919 0.018380 -0.006187 20H 1s 0.003722 -0.000228 0.000188 0.001008 -0.009322 -0.011688 20H 2s 0.116800 -0.058326 0.039078 0.089650 -0.000919 0.075908 20H 3s -1.825663 1.505432 -0.437818 -0.524274 -0.003018 0.356373 20H 1pz 0.012923 -0.011933 0.002231 0.006802 -0.003776 -0.004725 20H 1px -0.009342 0.005963 -0.000851 -0.000857 -0.005659 -0.004549 20H 1py 0.025059 -0.020042 0.009073 0.016139 0.011634 0.017067 21H 1s -0.006384 -0.002319 -0.003476 -0.021374 0.007660 0.011283 21H 2s -0.002463 -0.078832 -0.021118 -0.242441 0.018129 -0.052866 21H 3s -1.480442 1.514868 -0.424924 -0.091183 -0.266094 -0.044781 21H 1pz -0.011301 0.012231 -0.002875 -0.000458 0.002595 0.011968 21H 1px -0.021156 0.021360 -0.003290 0.003801 -0.002184 0.009216 21H 1py 0.005561 -0.000222 0.000716 0.004041 -0.003573 -0.012671 22H 1s -0.017177 0.009606 0.011253 0.041879 0.008129 0.008978 22H 2s -0.170114 0.065406 0.110733 0.448003 0.036120 0.060368 22H 3s -1.159671 1.146519 -0.621833 -1.602852 -0.485584 0.026117 22H 1pz -0.008664 0.011036 -0.005513 -0.013708 -0.000234 0.006121 22H 1px 0.004061 -0.008248 0.009521 0.027127 0.003109 0.004151 22H 1py 0.010016 -0.008140 0.002915 0.007456 -0.000670 -0.001048 23H 1s -0.006359 0.001317 0.000613 -0.000291 -0.010876 0.016058 23H 2s -0.074883 0.058307 0.097104 0.043180 -0.224195 0.020406 23H 3s 0.257058 -1.543961 -1.487966 -0.656209 0.500891 0.018001 23H 1pz -0.001913 0.000269 -0.002638 0.002836 -0.002017 0.011603 23H 1px 0.002707 -0.011330 -0.013196 -0.003621 0.004649 0.001287 23H 1py 0.003386 -0.021140 -0.023679 -0.014778 0.016323 0.014145 24H 1s 0.000595 -0.001087 0.006181 -0.005458 -0.009757 -0.017984 24H 2s -0.021862 0.054929 0.100817 -0.092619 -0.007819 0.005907 24H 3s 0.112913 -1.490995 -1.757054 -0.636210 0.426842 0.708251 24H 1pz 0.003346 -0.018362 -0.014314 -0.001825 -0.008238 -0.012905 24H 1px 0.002620 -0.016143 -0.017429 -0.003833 -0.000382 -0.002917 24H 1py 0.001750 0.005940 0.006914 0.004398 -0.007949 -0.011267 25H 1s 0.004408 -0.008740 -0.023717 0.027918 0.018477 -0.010590 25H 2s 0.056085 -0.069821 -0.252528 0.312929 0.133536 -0.170804 25H 3s 0.012671 -1.254336 -0.782579 -1.474022 -0.522203 0.585742 25H 1pz -0.000928 -0.010938 -0.007023 -0.010824 -0.002351 0.007959 25H 1px 0.002139 0.010402 0.000559 0.024383 0.003401 -0.012490 25H 1py -0.000023 -0.004510 -0.006292 -0.004890 0.003947 0.006793 26O 1s 0.001291 0.002402 -0.001995 0.006011 0.001468 -0.000182 26O 2s 0.003095 0.006136 -0.005571 0.014211 0.003493 -0.000422 26O 3s -0.005129 -0.017508 0.022691 -0.010995 -0.005241 0.002131 26O 4s -0.019340 0.025168 -0.053707 -0.093862 -0.024247 -0.008898 26O 5s 0.182387 0.143359 -0.264287 -0.173699 0.101218 0.082739 26O 1pz 0.007639 -0.009049 0.008845 0.003672 -0.069170 0.011486 26O 1px 0.026722 0.004453 -0.050913 0.084884 0.000595 0.031394 26O 1py -0.003851 -0.013604 -0.022603 0.022305 -0.030914 0.020957 26O 2pz -0.001106 -0.012510 0.013213 0.023395 -0.093344 0.000455 26O 2px 0.008117 -0.029476 -0.006577 0.127042 -0.010392 0.029886 26O 2py -0.000257 -0.044164 -0.000940 0.046902 -0.016202 0.036643 26O 3pz 0.031912 -0.102215 0.074642 -0.177786 -0.011429 0.127295 26O 3px -0.005515 -0.130417 0.072007 0.217679 -0.125704 0.162313 26O 3py -0.082257 -0.041538 0.067999 -0.013313 -0.246829 0.050421 26O 1dz2 0.000239 0.001757 -0.000848 -0.003319 -0.000513 -0.000632 26O 1dxz -0.000108 -0.001662 0.003065 -0.002118 -0.002824 -0.001333 26O 1dyz 0.000201 0.000140 0.001064 -0.000854 -0.001389 -0.001043 26O 1dx2y2 -0.000564 -0.000561 -0.001737 0.003967 0.000015 -0.000006 26O 1dxy -0.000292 -0.001538 0.002651 0.003029 -0.001001 0.002383 26O 2dz2 -0.009246 -0.006246 0.017445 0.003908 -0.004657 0.010174 26O 2dxz 0.000833 0.004305 -0.003662 -0.008913 -0.008133 -0.000346 26O 2dyz 0.004770 -0.004782 0.000740 -0.002184 -0.018265 0.003569 26O 2dx2y2 -0.000432 0.005533 -0.014206 0.004022 0.016671 0.004750 26O 2dxy 0.007036 0.005301 -0.015017 -0.005473 0.002685 0.003186 26O 1f0 -0.000484 0.000024 0.000691 -0.000536 -0.000375 0.000196 26O 1f+1 0.000323 0.000229 -0.001163 -0.000886 0.000844 -0.000741 26O 1f-1 0.000131 0.000376 -0.000797 -0.001146 -0.000372 -0.000265 26O 1f+2 -0.000177 -0.000188 -0.000011 0.001226 0.000555 -0.000341 26O 1f-2 -0.000059 0.000208 -0.000815 0.000379 0.000437 -0.000036 26O 1f+3 -0.000021 0.000156 -0.000342 0.000244 0.000854 0.000636 26O 1f-3 0.000452 0.000050 -0.000643 -0.001051 0.000777 -0.000499 27O 1s -0.001419 -0.002440 0.001585 0.004081 -0.001671 -0.004048 27O 2s -0.003639 -0.006398 0.003615 0.010265 -0.003862 -0.009698 27O 3s 0.009083 0.020573 -0.001824 -0.019932 0.002626 0.013822 27O 4s -0.035501 -0.034393 -0.032495 -0.026599 0.031341 0.054329 27O 5s 0.122539 -0.139981 0.091901 0.181090 -0.054776 -0.144463 27O 1pz 0.008888 0.009045 0.029521 0.019849 0.005884 0.008327 27O 1px -0.034565 0.007741 0.022961 0.094269 -0.005409 -0.016372 27O 1py 0.002991 0.010610 0.004589 -0.020547 0.023103 -0.032834 27O 2pz 0.015636 0.019672 0.021202 0.033093 0.021325 0.030155 27O 2px -0.011447 0.048181 0.021597 0.102200 0.005159 -0.009944 27O 2py -0.001963 0.004573 0.011376 -0.036941 0.033759 -0.012335 27O 3pz 0.018861 -0.030704 0.050648 -0.122602 -0.109553 -0.059346 27O 3px -0.179280 0.152807 -0.024454 -0.114279 -0.082410 0.161641 27O 3py -0.023750 -0.100906 -0.028427 0.188937 0.008231 -0.265539 27O 1dz2 0.000415 -0.000432 -0.000586 -0.000481 -0.000022 -0.000092 27O 1dxz 0.003590 -0.000415 -0.000697 -0.002091 -0.000966 0.003850 27O 1dyz -0.000145 0.001145 0.000328 -0.000059 0.000676 -0.000746 27O 1dx2y2 -0.001799 0.002094 0.000060 0.000185 0.000352 0.000847 27O 1dxy -0.003975 -0.000920 -0.001246 -0.000389 0.002210 0.000115 27O 2dz2 -0.001903 0.002580 -0.005418 -0.005827 -0.004172 -0.003645 27O 2dxz 0.003900 -0.003221 -0.001388 0.000544 -0.002155 0.004394 27O 2dyz -0.008135 -0.002737 0.002015 -0.007071 0.002681 -0.001586 27O 2dx2y2 -0.004092 -0.007378 0.002315 0.021754 -0.002591 -0.014871 27O 2dxy -0.005215 0.007482 -0.001153 -0.006798 0.003793 0.002924 27O 1f0 0.000509 0.000159 0.000187 0.000541 -0.000408 -0.000346 27O 1f+1 0.000793 -0.000143 0.000069 0.000397 0.000098 -0.000195 27O 1f-1 -0.000362 0.000327 0.000151 -0.000415 0.000087 -0.000207 27O 1f+2 -0.000143 0.000410 0.000001 0.000422 0.000332 -0.000357 27O 1f-2 0.000693 0.000265 0.000593 0.000897 -0.000363 -0.000208 27O 1f+3 -0.000467 -0.000235 -0.000209 0.000362 0.000333 -0.001077 27O 1f-3 -0.001309 0.000469 -0.000239 0.000102 0.000213 -0.000196 28O 1s -0.001372 0.000512 -0.002035 0.002941 0.007029 0.001762 28O 2s -0.003033 0.001816 -0.005014 0.007009 0.016850 0.004391 28O 3s -0.000579 -0.013276 0.007605 -0.009776 -0.020879 -0.009393 28O 4s 0.040372 0.074747 -0.022089 -0.029273 -0.109081 -0.000981 28O 5s -0.128275 -0.435653 0.672569 0.122119 0.188356 0.018870 28O 1pz 0.002448 -0.013209 -0.000979 -0.030713 0.049561 -0.015557 28O 1px 0.018312 0.037550 -0.013149 -0.063621 -0.076504 -0.005941 28O 1py -0.027512 -0.013955 0.007989 -0.024008 -0.006750 -0.038503 28O 2pz -0.004826 -0.016590 -0.008808 -0.071884 0.047515 -0.030234 28O 2px 0.017623 0.048686 -0.008869 -0.062077 -0.074216 -0.012228 28O 2py -0.028342 -0.020991 0.021392 -0.030557 0.004547 -0.041299 28O 3pz 0.031032 0.005477 -0.221876 0.089389 0.016936 -0.033231 28O 3px 0.042334 -0.124927 0.359961 0.128501 -0.057536 0.119040 28O 3py 0.002025 0.004271 -0.105746 -0.021895 -0.075526 -0.111786 28O 1dz2 -0.001261 -0.002614 0.003668 -0.002139 -0.001302 -0.001657 28O 1dxz 0.000846 0.002365 0.000615 -0.000567 -0.001938 0.000887 28O 1dyz -0.000238 -0.000476 0.002120 -0.002451 -0.000572 0.001605 28O 1dx2y2 -0.000090 0.001339 -0.003998 0.001405 0.002559 0.000041 28O 1dxy -0.000341 0.001721 -0.002127 0.001094 -0.000925 -0.001851 28O 2dz2 -0.008176 -0.006266 0.012963 -0.009220 0.004030 0.001542 28O 2dxz 0.000604 0.014356 -0.021791 -0.007708 -0.014293 0.003123 28O 2dyz -0.001501 -0.005260 0.011341 -0.012084 0.010810 -0.010267 28O 2dx2y2 -0.002693 -0.008984 0.011187 0.015030 0.016107 0.011758 28O 2dxy 0.001096 0.002506 -0.008851 0.000399 0.002494 -0.006076 28O 1f0 -0.000044 -0.000225 -0.000162 0.000773 0.000167 -0.000311 28O 1f+1 -0.000315 -0.000693 0.001995 -0.000263 -0.000408 0.000403 28O 1f-1 0.000106 0.000508 -0.000993 0.000037 0.000084 -0.000253 28O 1f+2 -0.000489 0.000516 -0.000961 -0.000381 -0.000729 0.000030 28O 1f-2 -0.000190 -0.000479 0.001155 -0.000419 -0.000649 -0.000214 28O 1f+3 -0.000020 0.000428 -0.000267 -0.000606 -0.000821 -0.000234 28O 1f-3 0.000209 -0.000002 0.000312 0.000082 -0.000534 -0.000026 29O 1s -0.002948 0.001150 0.005640 -0.004576 -0.008440 0.002920 29O 2s -0.006689 0.002450 0.012467 -0.010602 -0.018535 0.005986 29O 3s 0.000923 0.001521 0.006480 0.008243 -0.014083 0.014383 29O 4s 0.062996 -0.036578 -0.149355 0.099766 0.234063 -0.107861 29O 5s 0.061093 0.030179 -0.133104 -0.112675 0.208044 -0.113137 29O 1pz 0.012402 0.002245 0.016278 0.000792 -0.010568 -0.040851 29O 1px 0.007509 -0.002458 0.004212 0.001597 -0.012364 -0.009819 29O 1py -0.021638 0.000524 0.052248 -0.016444 -0.095991 0.053835 29O 2pz 0.019797 -0.001062 0.036143 0.033287 -0.016452 -0.105482 29O 2px 0.018556 -0.008469 0.020390 0.030032 -0.034379 -0.010526 29O 2py -0.038085 -0.005396 0.115851 -0.030262 -0.234224 0.135730 29O 3pz 0.033934 -0.041051 0.168291 0.228177 -0.108202 -0.108878 29O 3px 0.028176 0.001786 -0.206553 -0.000764 0.472657 -0.378788 29O 3py -0.052527 0.040018 0.050314 0.028088 -0.025647 0.030777 29O 1dz2 -0.000522 -0.000445 0.003998 0.002623 -0.006300 0.000883 29O 1dxz -0.001165 0.000281 0.002178 -0.001633 -0.004360 0.004782 29O 1dyz 0.000953 -0.000732 0.001838 0.004539 -0.000119 -0.004949 29O 1dx2y2 -0.000060 0.000013 -0.000482 -0.001468 0.000537 0.000034 29O 1dxy 0.000726 0.000137 -0.001905 0.001434 0.005218 -0.005223 29O 2dz2 -0.000929 0.002637 -0.009097 -0.011477 0.001367 0.011610 29O 2dxz 0.000598 -0.002197 0.008620 0.011423 0.007742 -0.015756 29O 2dyz 0.000584 0.001221 -0.007861 -0.013164 0.000847 0.011690 29O 2dx2y2 0.001961 -0.001069 0.006456 0.004026 -0.002584 -0.005392 29O 2dxy -0.007435 0.002742 0.006189 -0.002044 -0.016543 0.016317 29O 1f0 -0.000548 0.000046 0.002243 0.000591 -0.003110 0.001003 29O 1f+1 0.000411 -0.000212 -0.000106 0.000756 0.001391 -0.001782 29O 1f-1 -0.000799 -0.000017 0.002759 0.001206 -0.003506 0.000870 29O 1f+2 0.000353 0.000025 -0.001267 -0.000515 0.001048 -0.000087 29O 1f-2 -0.000949 0.000463 0.000511 -0.001562 -0.002951 0.003398 29O 1f+3 0.000502 -0.000258 -0.000227 0.000865 0.001100 -0.001247 29O 1f-3 0.000308 -0.000197 -0.000208 0.000752 0.001327 -0.001608 30O 1s -0.002761 0.001300 0.000572 0.000852 0.004048 -0.003672 30O 2s -0.007271 0.002567 0.001156 0.001267 0.010006 -0.008942 30O 3s 0.019307 0.006956 0.002957 0.011567 -0.021039 0.016593 30O 4s -0.052618 -0.090441 -0.030900 -0.055423 -0.044662 0.039920 30O 5s 0.538902 0.346585 0.148018 -0.242597 0.533476 -0.310951 30O 1pz 0.004746 0.026177 0.000471 -0.046755 -0.016475 -0.008375 30O 1px 0.007087 -0.044062 -0.001582 -0.017204 -0.041826 0.032175 30O 1py 0.012844 -0.006057 0.016749 0.040246 -0.028760 0.018169 30O 2pz 0.014247 0.041500 -0.006559 -0.066285 -0.059278 0.023741 30O 2px 0.000814 -0.049833 -0.008625 -0.038275 -0.015073 0.009399 30O 2py 0.023133 -0.005230 -0.002884 0.041944 -0.007859 0.010610 30O 3pz -0.176582 -0.088692 0.073796 0.291246 -0.059353 -0.029798 30O 3px 0.288399 0.060770 0.005640 -0.067290 0.233081 -0.104201 30O 3py 0.061339 0.004360 0.093703 -0.144885 0.126897 -0.130930 30O 1dz2 0.002237 0.000971 -0.000417 -0.000452 0.002686 0.000869 30O 1dxz 0.001492 -0.000642 -0.001680 -0.002675 -0.000747 -0.001407 30O 1dyz -0.002336 -0.001306 -0.000694 0.001343 0.000101 -0.001156 30O 1dx2y2 -0.005695 -0.001701 0.000722 0.002896 -0.000165 -0.001493 30O 1dxy 0.000862 0.002220 0.001391 0.001631 -0.001685 -0.000446 30O 2dz2 -0.000317 -0.001612 -0.004744 0.003142 -0.009207 -0.001861 30O 2dxz -0.008569 -0.010244 -0.000550 0.015126 -0.023648 0.006236 30O 2dyz -0.013568 -0.010347 0.000264 0.017542 -0.015055 0.016769 30O 2dx2y2 -0.003755 0.004822 -0.002665 0.009292 0.003876 -0.017581 30O 2dxy 0.008175 0.010285 -0.000273 -0.009372 0.017779 -0.016242 30O 1f0 0.001081 0.000862 0.000007 -0.000683 0.001117 -0.000388 30O 1f+1 0.000256 0.000085 -0.000245 -0.000081 -0.000336 -0.000331 30O 1f-1 0.000620 0.000136 0.000219 -0.000731 -0.000337 -0.000382 30O 1f+2 0.000869 -0.000008 0.000133 -0.000238 -0.000746 0.000721 30O 1f-2 -0.001367 -0.000586 0.000195 0.001077 -0.001372 0.000771 30O 1f+3 0.000815 -0.000237 0.000397 -0.000480 0.000470 0.000578 30O 1f-3 0.000144 -0.000260 0.000084 0.000125 -0.001232 0.000974 31O 1s 0.002846 0.001439 -0.000534 -0.000342 0.003938 -0.002471 31O 2s 0.007475 0.002861 -0.001110 -0.000044 0.009751 -0.006179 31O 3s -0.019765 0.007328 -0.002193 -0.013401 -0.021082 0.015662 31O 4s 0.052448 -0.095450 0.024989 0.047147 -0.040307 0.011458 31O 5s -0.535022 0.357719 -0.127311 0.291344 0.506683 -0.254589 31O 1pz 0.006188 -0.025774 -0.001339 -0.047868 0.021598 -0.007618 31O 1px 0.006045 0.045290 0.000465 -0.012106 0.040784 -0.014903 31O 1py 0.008788 0.005228 0.018265 0.043529 0.024870 -0.011024 31O 2pz 0.015547 -0.040465 -0.008916 -0.063782 0.067623 -0.048782 31O 2px -0.000841 0.052124 -0.006366 -0.035894 0.013959 0.010891 31O 2py 0.017088 0.006839 -0.000829 0.044154 0.001542 0.001577 31O 3pz -0.164072 0.077719 0.070911 0.288685 0.039011 0.073545 31O 3px 0.278766 -0.055656 0.005790 -0.080882 -0.239879 0.143334 31O 3py 0.053433 -0.012991 0.097238 -0.155474 -0.113499 0.108614 31O 1dz2 -0.002334 0.000922 0.000458 0.000534 0.002726 0.000370 31O 1dxz -0.001445 -0.000886 0.001628 0.002657 -0.000758 -0.001726 31O 1dyz 0.002394 -0.001381 0.000594 -0.001311 0.000327 -0.001432 31O 1dx2y2 0.005607 -0.001554 -0.000802 -0.002886 -0.000029 -0.001168 31O 1dxy -0.000922 0.002377 -0.001188 -0.001632 -0.001815 0.000289 31O 2dz2 0.000688 -0.001957 0.004779 -0.003759 -0.009055 -0.002011 31O 2dxz 0.008341 -0.010125 0.000252 -0.016856 -0.022907 0.004683 31O 2dyz 0.013825 -0.010200 -0.001303 -0.019584 -0.013632 0.015048 31O 2dx2y2 0.004349 0.004659 0.003082 -0.008396 0.004291 -0.015647 31O 2dxy -0.007537 0.010175 0.000815 0.011208 0.017326 -0.015272 31O 1f0 0.001028 -0.000846 -0.000026 -0.000772 -0.001077 0.000342 31O 1f+1 0.000232 -0.000054 -0.000254 -0.000063 0.000327 0.000335 31O 1f-1 0.000651 -0.000132 0.000198 -0.000719 0.000402 0.000300 31O 1f+2 0.000865 -0.000009 0.000137 -0.000164 0.000814 -0.000798 31O 1f-2 -0.001323 0.000540 0.000227 0.001183 0.001357 -0.000919 31O 1f+3 0.000832 0.000219 0.000417 -0.000471 -0.000489 -0.000244 31O 1f-3 0.000194 0.000233 0.000093 0.000233 0.001289 -0.001087 32O 1s 0.002816 0.001711 -0.005557 0.003903 -0.008763 0.003163 32O 2s 0.006465 0.003697 -0.012288 0.009123 -0.019287 0.006575 32O 3s -0.002694 0.002032 -0.006399 -0.009382 -0.013324 0.012955 32O 4s -0.054828 -0.050614 0.146482 -0.081606 0.241484 -0.114323 32O 5s -0.050343 0.014778 0.137132 0.132830 0.191884 -0.070678 32O 1pz 0.012341 -0.004706 0.014139 0.001993 0.009504 0.037214 32O 1px 0.008351 0.001753 0.003601 0.002484 0.012100 0.008007 32O 1py -0.015638 -0.004928 0.052045 -0.008755 0.097038 -0.053724 32O 2pz 0.020537 -0.005008 0.031240 0.035218 0.012939 0.093086 32O 2px 0.023235 0.005855 0.018916 0.032061 0.031693 0.007539 32O 2py -0.023687 -0.004633 0.116344 -0.010952 0.235375 -0.131075 32O 3pz 0.059249 0.025856 0.159143 0.233236 0.090600 0.096720 32O 3px -0.000042 0.017415 -0.211845 -0.040746 -0.467673 0.343853 32O 3py -0.055680 -0.046239 0.053075 0.039705 0.018860 -0.003103 32O 1dz2 0.000129 0.000016 -0.003888 -0.002939 -0.006153 0.001151 32O 1dxz 0.001012 0.000458 -0.002231 0.001340 -0.004403 0.004262 32O 1dyz -0.001196 -0.000472 -0.001860 -0.004588 -0.000178 -0.004257 32O 1dx2y2 0.000152 -0.000041 0.000499 0.001632 0.000361 0.000323 32O 1dxy -0.000476 -0.000018 0.001964 -0.000927 0.005092 -0.004447 32O 2dz2 0.001904 0.001555 0.008279 0.010749 0.001115 0.009426 32O 2dxz -0.001698 -0.001379 -0.008226 -0.010825 0.008345 -0.014247 32O 2dyz 0.000497 0.000372 0.007477 0.013471 0.000144 0.010453 32O 2dx2y2 -0.002306 -0.000480 -0.006492 -0.004479 -0.002492 -0.004926 32O 2dxy 0.007017 0.003211 -0.006608 -0.000070 -0.015961 0.013419 32O 1f0 -0.000326 -0.000260 0.002077 0.000787 0.002847 -0.000844 32O 1f+1 0.000445 0.000236 -0.000212 0.000642 -0.001553 0.001669 32O 1f-1 -0.000556 -0.000281 0.002794 0.001516 0.003557 -0.000878 32O 1f+2 0.000290 0.000124 -0.001359 -0.000626 -0.001222 0.000229 32O 1f-2 -0.000912 -0.000486 0.000523 -0.001305 0.002889 -0.002913 32O 1f+3 0.000465 0.000255 -0.000216 0.000707 -0.001020 0.001026 32O 1f-3 0.000272 0.000207 -0.000200 0.000660 -0.001311 0.001402 33O 1s 0.000180 0.000440 0.002097 -0.002382 0.007035 0.002380 33O 2s 0.000192 0.001644 0.005200 -0.005674 0.016829 0.006020 33O 3s 0.003817 -0.013098 -0.008517 0.008172 -0.020453 -0.013481 33O 4s -0.021430 0.072940 0.026739 0.020845 -0.110048 0.000401 33O 5s 0.086287 -0.388713 -0.705724 -0.114395 0.181694 0.006353 33O 1pz 0.010408 0.013576 0.000399 -0.032615 -0.044144 0.002666 33O 1px 0.006529 -0.034632 -0.015508 -0.057703 0.076587 0.011899 33O 1py -0.024602 0.013151 0.007212 -0.024776 0.008611 0.039594 33O 2pz 0.004130 0.017583 -0.007266 -0.073869 -0.039377 0.010626 33O 2px 0.007905 -0.045616 -0.011960 -0.056383 0.074069 0.018114 33O 2py -0.023989 0.018397 0.020772 -0.032342 -0.001210 0.041155 33O 3pz 0.027909 0.010394 -0.226311 0.092475 -0.031971 0.081145 33O 3px 0.026959 0.098809 0.374101 0.137080 0.054626 -0.110510 33O 3py -0.006551 0.009718 -0.108330 -0.017475 0.066739 0.129006 33O 1dz2 0.000999 -0.002391 -0.003780 0.002105 -0.001406 -0.002025 33O 1dxz -0.000517 0.002380 -0.000494 0.000429 -0.001953 0.000943 33O 1dyz 0.000182 -0.000363 -0.002222 0.002289 -0.000755 0.001833 33O 1dx2y2 0.000009 0.001081 0.004114 -0.001210 0.002644 0.000221 33O 1dxy 0.000316 0.001619 0.002355 -0.000985 -0.000863 -0.001957 33O 2dz2 0.007365 -0.005411 -0.013501 0.008973 0.003419 0.002121 33O 2dxz 0.002016 0.012686 0.022880 0.006519 -0.013437 0.001305 33O 2dyz -0.000327 -0.004589 -0.011507 0.012793 0.009787 -0.009846 33O 2dx2y2 0.001362 -0.007732 -0.012182 -0.014567 0.015918 0.014177 33O 2dxy -0.001191 0.001891 0.009315 0.000083 0.002629 -0.005845 33O 1f0 -0.000030 0.000230 -0.000144 0.000732 -0.000202 0.000351 33O 1f+1 -0.000323 0.000550 0.002059 -0.000201 0.000433 -0.000384 33O 1f-1 0.000027 -0.000427 -0.001038 0.000039 -0.000137 0.000363 33O 1f+2 -0.000486 -0.000452 -0.001013 -0.000335 0.000724 -0.000047 33O 1f-2 -0.000145 0.000414 0.001189 -0.000371 0.000673 0.000243 33O 1f+3 -0.000041 -0.000389 -0.000308 -0.000558 0.000808 0.000369 33O 1f-3 0.000160 -0.000009 0.000316 0.000109 0.000500 0.000142 34O 1s 0.001436 -0.002240 -0.001741 -0.004160 -0.001505 -0.003353 34O 2s 0.003668 -0.005931 -0.004013 -0.010471 -0.003424 -0.008016 34O 3s -0.008971 0.020175 0.002952 0.020552 0.001536 0.011315 34O 4s 0.035175 -0.037373 0.030898 0.026184 0.031677 0.047767 34O 5s -0.134207 -0.138787 -0.095742 -0.196150 -0.045751 -0.185071 34O 1pz 0.010080 -0.011415 0.028717 0.020484 -0.008865 0.006415 34O 1px -0.033538 -0.010260 0.022602 0.095825 -0.001484 0.017421 34O 1py 0.004751 -0.010916 0.003443 -0.024341 -0.019837 0.025446 34O 2pz 0.017966 -0.021472 0.020239 0.033274 -0.026054 -0.009766 34O 2px -0.009482 -0.051135 0.018540 0.101208 -0.013149 0.012132 34O 2py -0.000063 -0.005186 0.011426 -0.039680 -0.029030 0.004899 34O 3pz 0.015699 0.027950 0.051397 -0.112802 0.123228 0.026285 34O 3px -0.189173 -0.153499 -0.024539 -0.107228 0.085457 -0.166419 34O 3py -0.017278 0.102428 -0.031810 0.173407 -0.021883 0.257536 34O 1dz2 -0.000364 -0.000512 0.000567 0.000503 -0.000074 -0.000120 34O 1dxz -0.003536 -0.000525 0.000621 0.001838 -0.001088 0.003779 34O 1dyz 0.000116 0.001184 -0.000255 0.000118 0.000633 -0.000545 34O 1dx2y2 0.001949 0.002162 -0.000017 -0.000159 0.000365 0.001180 34O 1dxy 0.004067 -0.000984 0.001110 0.000564 0.002145 0.000827 34O 2dz2 0.001456 0.002267 0.005745 0.006454 -0.004591 -0.002471 34O 2dxz -0.003990 -0.003410 0.001279 -0.000894 -0.001742 0.001577 34O 2dyz 0.008064 -0.002629 -0.002047 0.007665 0.002121 -0.000643 34O 2dx2y2 0.003523 -0.007090 -0.002403 -0.021787 -0.001551 -0.014003 34O 2dxy 0.005207 0.007617 0.001414 0.007707 0.003184 0.005340 34O 1f0 0.000538 -0.000177 0.000153 0.000529 0.000383 0.000439 34O 1f+1 0.000813 0.000149 0.000060 0.000411 -0.000104 0.000187 34O 1f-1 -0.000417 -0.000329 0.000136 -0.000447 -0.000064 0.000124 34O 1f+2 -0.000152 -0.000419 -0.000022 0.000367 -0.000342 0.000171 34O 1f-2 0.000703 -0.000320 0.000557 0.000894 0.000316 0.000286 34O 1f+3 -0.000480 0.000264 -0.000215 0.000330 -0.000349 0.001050 34O 1f-3 -0.001324 -0.000470 -0.000246 0.000037 -0.000241 0.000096 35O 1s -0.000765 0.002320 0.002169 -0.005838 0.001736 0.000150 35O 2s -0.001775 0.005858 0.006021 -0.013799 0.004190 0.000184 35O 3s 0.001817 -0.015510 -0.024060 0.010369 -0.006856 0.004415 35O 4s 0.013801 0.018997 0.056485 0.091855 -0.024074 -0.026051 35O 5s -0.062195 0.111508 0.269559 0.177747 0.101909 0.089215 35O 1pz 0.003615 0.009218 0.009693 0.008228 0.065454 0.002134 35O 1px 0.020593 -0.001888 -0.051141 0.084356 -0.006686 -0.027606 35O 1py -0.011476 0.015195 -0.020691 0.025503 0.027168 -0.020109 35O 2pz -0.001807 0.012558 0.013949 0.028419 0.086562 0.020579 35O 2px 0.011772 0.027567 -0.004762 0.127278 0.002374 -0.024000 35O 2py -0.003735 0.043477 0.003801 0.051088 0.011801 -0.040100 35O 3pz 0.004725 0.095356 0.085821 -0.170528 0.034151 -0.169663 35O 3px 0.038332 0.114742 0.084483 0.227514 0.130778 -0.201336 35O 3py -0.074880 0.033358 0.071104 -0.002619 0.252934 -0.035980 35O 1dz2 -0.000087 0.001586 0.000966 0.003253 -0.000554 -0.000960 35O 1dxz 0.000637 -0.001494 -0.003178 0.001892 -0.002866 -0.001519 35O 1dyz -0.000065 0.000182 -0.001012 0.000776 -0.001366 -0.001163 35O 1dx2y2 0.000256 -0.000599 0.001683 -0.003917 0.000131 0.000396 35O 1dxy 0.000319 -0.001274 -0.002803 -0.003203 -0.000904 0.002246 35O 2dz2 0.007508 -0.004611 -0.018180 -0.004809 -0.005072 0.011562 35O 2dxz 0.001488 0.003647 0.003902 0.008106 -0.008023 -0.001574 35O 2dyz -0.002025 -0.005102 -0.001243 0.000989 -0.017620 0.001295 35O 2dx2y2 0.003168 0.004386 0.014415 -0.002927 0.017360 0.003657 35O 2dxy -0.002027 0.003672 0.015214 0.005546 0.003407 0.001730 35O 1f0 -0.000590 -0.000061 0.000694 -0.000486 0.000362 -0.000054 35O 1f+1 0.000133 -0.000105 -0.001180 -0.000969 -0.000819 0.000748 35O 1f-1 -0.000052 -0.000283 -0.000827 -0.001134 0.000412 0.000266 35O 1f+2 -0.000064 0.000163 -0.000008 0.001152 -0.000606 0.000274 35O 1f-2 0.000012 -0.000179 -0.000835 0.000326 -0.000400 -0.000133 35O 1f+3 -0.000092 -0.000150 -0.000338 0.000211 -0.000863 -0.000567 35O 1f-3 0.000157 0.000053 -0.000643 -0.001107 -0.000790 0.000656 186 187 188 189 190 191 0.40401 0.40619 0.40999 0.41219 0.41331 0.41981 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s 0.001431 -0.000303 -0.001730 -0.001993 -0.000061 -0.000493 0Rh 2s -0.006379 0.000983 0.006613 0.006700 0.000217 0.002069 0Rh 3s 0.004386 -0.001158 -0.005980 -0.007461 -0.000220 -0.001591 0Rh 4s 0.028815 -0.004308 -0.029438 -0.029411 -0.000830 -0.009312 0Rh 5s -0.032222 0.002342 0.024822 0.017008 -0.001509 0.009660 0Rh 6s -0.016258 0.011927 0.049355 0.080740 0.015118 0.008176 0Rh 7s -0.103212 -0.238193 -0.032907 -0.219924 0.236792 -0.012269 0Rh 8s -0.601796 0.373534 0.615426 -0.149395 -0.660283 0.409610 0Rh 1pz -0.002200 0.005506 0.001637 0.003327 0.004228 0.004696 0Rh 1px -0.002175 0.006122 0.000057 0.002910 -0.004619 0.002026 0Rh 1py 0.001361 0.003069 0.006331 -0.002280 -0.002786 -0.000764 0Rh 2pz 0.007295 -0.019473 -0.005530 -0.011541 -0.014521 -0.016363 0Rh 2px 0.007395 -0.021141 -0.000159 -0.009804 0.015943 -0.007094 0Rh 2py -0.004578 -0.010476 -0.021828 0.007807 0.009671 0.002649 0Rh 3pz -0.000968 0.027236 0.002773 0.011924 0.012127 0.018158 0Rh 3px -0.004562 0.020090 -0.000512 0.004470 -0.014842 0.008450 0Rh 3py 0.001865 0.007549 0.019554 -0.005870 -0.010083 -0.002703 0Rh 4pz -0.032118 -0.012090 0.016356 0.009097 0.022786 0.008625 0Rh 4px -0.019579 0.022993 0.002719 0.030538 -0.019295 0.002011 0Rh 4py 0.015323 0.021557 0.031254 -0.015684 -0.007417 -0.002350 0Rh 5pz 0.046217 0.087969 -0.019754 0.019108 0.002458 0.035384 0Rh 5px 0.028680 0.025220 -0.005974 -0.037915 -0.009849 0.014751 0Rh 5py -0.019431 -0.014269 -0.001964 0.006899 -0.016319 -0.001949 0Rh 6pz -0.332588 -1.079234 0.213788 -0.274921 -0.268608 -0.658830 0Rh 6px -0.112033 -0.498482 -0.129661 0.257870 0.069887 -0.234835 0Rh 6py 0.183451 -0.046719 -0.382489 0.306504 0.242911 -0.074048 0Rh 1dz2 -0.007347 0.004552 -0.003523 -0.007853 0.001655 -0.007320 0Rh 1dxz -0.008115 -0.004511 0.003805 -0.000106 -0.002722 -0.014682 0Rh 1dyz 0.005717 0.007963 0.012649 0.009183 0.000888 -0.003428 0Rh 1dx2y2 -0.001605 0.000917 0.002398 -0.012181 0.000856 -0.010444 0Rh 1dxy 0.001338 -0.000647 -0.012636 0.011131 0.001939 -0.012174 0Rh 2dz2 0.000055 0.000065 -0.000564 -0.000948 0.000145 -0.000230 0Rh 2dxz 0.000450 0.000182 -0.001048 -0.000781 0.000451 0.000658 0Rh 2dyz -0.000188 -0.000054 -0.001116 -0.000457 0.000125 0.001115 0Rh 2dx2y2 -0.000774 -0.000011 0.000519 0.000939 0.000043 0.000422 0Rh 2dxy -0.000367 0.000825 0.001059 -0.000728 -0.000105 0.001109 0Rh 3dz2 0.013264 -0.008616 0.008896 0.018468 -0.003683 0.014473 0Rh 3dxz 0.013130 0.007636 -0.002650 0.003496 0.003167 0.024561 0Rh 3dyz -0.009811 -0.014425 -0.018789 -0.015081 -0.002152 0.001701 0Rh 3dx2y2 0.006265 -0.001698 -0.006725 0.018526 -0.001690 0.017604 0Rh 3dxy -0.000948 -0.002199 0.018978 -0.017691 -0.003132 0.018000 0Rh 4dz2 0.011669 -0.005195 -0.003623 -0.002588 0.000607 0.006395 0Rh 4dxz 0.016717 0.007148 -0.019618 -0.011143 0.009884 0.025593 0Rh 4dyz -0.008719 -0.011201 -0.029799 -0.016974 0.000430 0.017865 0Rh 4dx2y2 -0.009827 -0.000803 0.006109 0.029567 -0.002422 0.018855 0Rh 4dxy -0.006681 0.011701 0.030437 -0.021886 -0.004430 0.029267 0Rh 5dz2 -0.005078 -0.017785 0.064471 0.096823 -0.038072 0.038430 0Rh 5dxz -0.011680 0.029614 0.064709 0.065086 -0.034986 0.047212 0Rh 5dyz -0.029717 -0.018686 0.009703 -0.012513 -0.011339 -0.046995 0Rh 5dx2y2 0.093494 -0.013916 -0.078139 -0.034834 0.042166 0.011637 0Rh 5dxy 0.023578 -0.046409 -0.015050 -0.028286 0.013286 -0.014850 0Rh 1f0 0.000427 -0.005809 -0.003436 0.000144 -0.000708 0.000273 0Rh 1f+1 0.000951 -0.002794 0.000167 0.001282 -0.001527 -0.001731 0Rh 1f-1 -0.000568 0.004591 -0.003180 0.001653 -0.001878 0.000098 0Rh 1f+2 -0.004889 -0.003485 0.001284 -0.000466 -0.000102 -0.000014 0Rh 1f-2 0.000719 -0.000020 -0.000182 0.005278 -0.000291 -0.001534 0Rh 1f+3 0.000542 0.003428 0.003461 0.001456 -0.001853 0.001275 0Rh 1f-3 -0.001821 -0.001375 -0.001095 -0.000172 -0.000068 0.003293 1Rh 1s -0.001436 -0.000253 0.001732 0.001970 -0.000225 0.000511 1Rh 2s 0.006165 0.000725 -0.006585 -0.006577 0.000826 -0.002154 1Rh 3s -0.004544 -0.001026 0.006009 0.007401 -0.000798 0.001644 1Rh 4s -0.027754 -0.003128 0.029299 0.028856 -0.003533 0.009693 1Rh 5s 0.029356 0.000772 -0.024487 -0.016404 0.000628 -0.010090 1Rh 6s 0.022263 0.012274 -0.049762 -0.079954 0.020208 -0.008450 1Rh 7s 0.033316 -0.248220 0.055647 0.240464 0.231029 0.005261 1Rh 8s 0.649365 0.343449 -0.653042 0.103784 -0.652701 -0.398961 1Rh 1pz -0.000974 -0.005404 0.001766 0.002970 -0.004407 0.004930 1Rh 1px -0.002687 -0.006038 0.000521 0.003198 0.004415 0.001954 1Rh 1py 0.001900 -0.002858 0.006419 -0.002017 0.002723 -0.000410 1Rh 2pz 0.003006 0.019126 -0.005992 -0.010301 0.015136 -0.017177 1Rh 2px 0.009112 0.020848 -0.001759 -0.010792 -0.015251 -0.006833 1Rh 2py -0.006442 0.009762 -0.022124 0.006897 -0.009451 0.001421 1Rh 3pz 0.004201 -0.026994 0.003532 0.010610 -0.012669 0.019056 1Rh 3px -0.005253 -0.019750 0.000960 0.005289 0.014471 0.007994 1Rh 3py 0.003694 -0.007120 0.019726 -0.005034 0.009772 -0.001431 1Rh 4pz -0.031714 0.012834 0.015674 0.008248 -0.023650 0.009047 1Rh 4px -0.024797 -0.022873 0.004651 0.032083 0.017378 0.002521 1Rh 4py 0.017257 -0.019732 0.032009 -0.014534 0.007573 -0.001339 1Rh 5pz 0.060147 -0.088600 -0.017267 0.016513 -0.002538 0.037148 1Rh 5px 0.031493 -0.024814 -0.004464 -0.037767 0.011877 0.012845 1Rh 5py -0.018520 0.012456 -0.002497 0.007481 0.015417 -0.000422 1Rh 6pz -0.522398 1.090682 0.188069 -0.229511 0.268255 -0.682386 1Rh 6px -0.096135 0.486493 -0.157597 0.256284 -0.072276 -0.222895 1Rh 6py 0.169520 0.053126 -0.383685 0.285851 -0.242505 -0.103565 1Rh 1dz2 0.007683 0.004583 0.003250 0.007758 0.000818 0.007210 1Rh 1dxz 0.009054 -0.004890 -0.003668 -0.000054 -0.002380 0.014825 1Rh 1dyz -0.006436 0.007693 -0.012791 -0.009119 0.002209 0.003326 1Rh 1dx2y2 0.001614 0.000973 -0.002269 0.012317 0.000081 0.010423 1Rh 1dxy -0.000797 -0.000396 0.012669 -0.010899 0.002298 0.012471 1Rh 2dz2 -0.000153 0.000103 0.000600 0.000967 0.000078 0.000236 1Rh 2dxz -0.000589 0.000220 0.001034 0.000788 0.000351 -0.000703 1Rh 2dyz 0.000241 -0.000038 0.001100 0.000458 0.000033 -0.001089 1Rh 2dx2y2 0.000854 -0.000016 -0.000549 -0.000956 0.000122 -0.000413 1Rh 2dxy 0.000260 0.000794 -0.001080 0.000689 -0.000133 -0.001171 1Rh 3dz2 -0.013484 -0.008833 -0.008546 -0.018374 -0.001853 -0.014297 1Rh 3dxz -0.014293 0.008178 0.002449 -0.003231 0.002955 -0.024641 1Rh 3dyz 0.010931 -0.013994 0.019112 0.014957 -0.004214 -0.001620 1Rh 3dx2y2 -0.006622 -0.001776 0.006616 -0.018702 -0.000595 -0.017605 1Rh 3dxy 0.000388 -0.002533 -0.018952 0.017420 -0.003690 -0.018300 1Rh 4dz2 -0.013399 -0.004722 0.004490 0.003029 0.000747 -0.006178 1Rh 4dxz -0.019692 0.008144 0.019323 0.011477 0.008048 -0.026346 1Rh 4dyz 0.010202 -0.010640 0.029817 0.016924 -0.002351 -0.017395 1Rh 4dx2y2 0.011032 -0.001038 -0.006761 -0.030079 -0.000212 -0.018663 1Rh 4dxy 0.004560 0.010933 -0.030769 0.021070 -0.005116 -0.030426 1Rh 5dz2 0.010464 -0.020803 -0.066505 -0.099318 -0.029251 -0.038136 1Rh 5dxz 0.014861 0.028181 -0.065975 -0.066041 -0.028712 -0.045330 1Rh 5dyz 0.031706 -0.018849 -0.008998 0.011801 -0.011805 0.045892 1Rh 5dx2y2 -0.100466 -0.011784 0.081453 0.038315 0.037415 -0.012895 1Rh 5dxy -0.018527 -0.044729 0.016670 0.030183 0.011768 0.016735 1Rh 1f0 0.000200 0.005692 -0.003687 0.000222 0.000804 0.000326 1Rh 1f+1 0.000469 0.002758 0.000070 0.001457 0.001461 -0.001792 1Rh 1f-1 0.000676 -0.004613 -0.003043 0.001581 0.001866 0.000356 1Rh 1f+2 -0.005595 0.003502 0.001155 -0.000368 0.000108 0.000019 1Rh 1f-2 0.001343 0.000018 -0.000269 0.005135 -0.000105 -0.001472 1Rh 1f+3 0.000586 -0.003325 0.003658 0.001583 0.001660 0.001270 1Rh 1f-3 -0.002283 0.001368 -0.001093 -0.000177 0.000157 0.003116 2C 1s -0.006244 0.023250 0.019419 -0.008152 -0.026931 0.015544 2C 2s -0.013849 0.049522 0.041302 -0.016153 -0.054179 0.031208 2C 3s 0.026207 -0.003874 0.020903 -0.058256 -0.144451 0.098377 2C 4s 0.131887 -0.936627 -0.960190 0.714725 2.056535 -1.254589 2C 5s -0.842340 4.559700 2.078402 -1.391601 -6.634177 2.698545 2C 1pz 0.040991 -0.068278 -0.077210 -0.048096 -0.018137 0.003972 2C 1px -0.022093 -0.037270 0.043903 0.031829 -0.008212 -0.039358 2C 1py 0.052786 -0.051626 -0.029200 0.054566 0.011114 0.048189 2C 2pz 0.027125 0.049523 -0.174015 -0.194327 -0.037174 -0.050031 2C 2px -0.141159 -0.066785 0.297384 0.215617 -0.009801 -0.207510 2C 2py 0.098524 -0.006578 0.015291 0.266602 0.075935 0.142785 2C 3pz -0.213953 0.864455 -0.001690 0.558756 0.019884 -0.284540 2C 3px 0.506493 0.453720 -0.491644 -0.056261 -0.123019 0.350446 2C 3py -0.298156 0.260371 0.002961 -0.013201 -0.143105 -0.407531 2C 1dz2 -0.000440 0.000160 -0.000416 -0.003348 -0.000199 -0.001225 2C 1dxz -0.004761 -0.000618 0.004983 0.001995 0.000116 -0.006751 2C 1dyz -0.000931 0.002944 -0.001620 -0.000774 0.001980 -0.001056 2C 1dx2y2 -0.001129 -0.000846 -0.001766 -0.005358 -0.000542 -0.000640 2C 1dxy -0.001143 -0.000404 0.003399 0.006703 0.002594 -0.000613 2C 2dz2 -0.016388 0.040312 0.023682 0.006922 -0.005790 -0.009157 2C 2dxz -0.047786 0.022441 0.030960 0.025703 0.026886 -0.001768 2C 2dyz -0.039097 0.120955 0.070864 0.019746 0.007025 -0.012310 2C 2dx2y2 0.003275 -0.058840 0.014195 0.031764 0.003695 0.013196 2C 2dxy -0.045919 0.027921 0.027427 -0.011228 0.011043 -0.018266 2C 1f0 0.001681 -0.003856 0.000208 0.010634 0.006897 -0.003603 2C 1f+1 -0.003384 0.003389 0.002888 0.000795 0.001945 -0.004211 2C 1f-1 -0.001912 0.004144 -0.003286 0.000326 0.009537 -0.005326 2C 1f+2 0.001697 0.003977 0.001766 -0.007662 -0.014735 0.013888 2C 1f-2 -0.001837 -0.005408 -0.007023 0.008516 0.017815 -0.008730 2C 1f+3 -0.001873 0.007590 0.009832 -0.000930 -0.012162 0.010762 2C 1f-3 -0.001957 0.002304 0.006718 0.001226 -0.003016 -0.002963 3C 1s -0.018560 -0.008195 -0.018436 0.016212 -0.036174 0.003501 3C 2s -0.038827 -0.018364 -0.038364 0.032846 -0.073941 0.008007 3C 3s -0.030969 0.045128 -0.050788 0.074511 -0.135250 -0.010763 3C 4s 0.977066 0.060626 1.088416 -1.172718 2.382410 -0.086877 3C 5s -3.252564 -1.052448 -2.211564 3.096511 -9.002643 -0.705885 3C 1pz 0.022228 0.035247 0.009696 -0.021484 0.020293 -0.084026 3C 1px -0.042314 -0.001605 0.024281 -0.033242 0.003383 0.031310 3C 1py -0.067868 -0.060319 -0.050970 0.002122 -0.023644 0.008549 3C 2pz 0.027826 -0.005756 -0.019441 -0.078757 0.010813 -0.340062 3C 2px -0.327183 -0.142579 0.050771 -0.144945 -0.022974 0.210978 3C 2py -0.125384 -0.019523 -0.106882 -0.014590 0.028389 -0.000262 3C 3pz -0.140241 -0.627473 0.123047 0.080785 -0.301294 0.487790 3C 3px 0.249597 0.153253 -0.099187 -0.261451 -0.285644 -0.455815 3C 3py 0.181247 0.212735 -0.119831 0.110425 0.535343 0.192126 3C 1dz2 0.001672 0.003068 -0.000266 0.000937 -0.000739 -0.002177 3C 1dxz -0.005639 -0.002812 -0.001156 -0.002419 0.000239 0.002067 3C 1dyz -0.000391 0.000165 -0.000127 0.001383 -0.000718 0.006424 3C 1dx2y2 -0.001834 -0.000102 -0.001159 -0.000065 0.001114 -0.001453 3C 1dxy 0.001728 0.003206 -0.000892 -0.001543 -0.000688 -0.005779 3C 2dz2 0.013834 0.043010 0.009919 -0.024130 0.001133 -0.023939 3C 2dxz 0.005961 -0.006851 0.004614 0.032956 -0.009096 0.012380 3C 2dyz 0.042926 0.037688 0.041057 0.006557 0.047422 -0.023033 3C 2dx2y2 0.025024 0.063089 0.039893 0.019916 0.041749 0.019823 3C 2dxy 0.061299 0.080313 0.003670 -0.025404 0.010405 -0.023589 3C 1f0 0.006131 0.006102 0.005741 -0.001964 0.006040 0.002780 3C 1f+1 -0.002441 -0.001234 0.002054 -0.004120 0.003069 0.006356 3C 1f-1 0.001499 -0.000846 0.004298 -0.005096 0.010000 -0.003420 3C 1f+2 -0.011487 0.000678 -0.009178 0.011856 -0.023024 0.002498 3C 1f-2 -0.002446 0.003660 -0.007964 0.008429 -0.016174 -0.003888 3C 1f+3 0.001704 -0.001951 0.001918 0.001886 0.002559 0.001630 3C 1f-3 0.005838 0.003830 0.003413 0.003246 0.003783 -0.004187 4C 1s -0.006247 -0.001609 0.011445 -0.006576 0.005344 -0.001457 4C 2s -0.012564 -0.003893 0.024175 -0.013807 0.011491 -0.002853 4C 3s -0.036881 -0.014099 0.003023 0.009864 -0.006565 -0.034807 4C 4s 0.448645 0.236949 -0.483797 0.254534 -0.127585 0.193562 4C 5s -0.023403 -2.012192 0.266362 -0.543138 2.318842 -0.728649 4C 1pz 0.111493 -0.112384 -0.149176 -0.018757 -0.004982 0.041858 4C 1px -0.015276 -0.001692 0.079403 0.097505 0.035290 -0.064349 4C 1py 0.019622 -0.123488 -0.080158 0.027079 -0.003022 -0.017779 4C 2pz 0.112018 0.086981 -0.149387 -0.012737 0.059511 0.038514 4C 2px 0.133270 0.063506 0.075031 0.148858 0.096625 0.055539 4C 2py 0.014165 -0.143959 -0.056003 0.043470 0.054603 -0.002565 4C 3pz -0.477106 0.938609 -0.065358 0.634560 -0.251399 -0.836317 4C 3px -0.111008 -0.392045 -0.730977 -0.512624 0.027126 0.131344 4C 3py 0.079044 1.145081 -0.391229 0.103360 -0.138918 -0.352910 4C 1dz2 -0.000190 -0.005758 -0.002541 0.009156 0.004373 -0.006244 4C 1dxz 0.012454 -0.004812 -0.016936 -0.004824 -0.000733 0.005478 4C 1dyz 0.004276 -0.004919 -0.008714 0.004367 0.004857 -0.003107 4C 1dx2y2 -0.000557 0.008499 0.011134 0.000421 0.001015 0.008422 4C 1dxy 0.006111 0.000812 -0.007140 -0.008970 -0.001307 0.005392 4C 2dz2 0.040423 -0.054391 -0.006266 0.044734 -0.063022 0.040619 4C 2dxz 0.025222 -0.038433 -0.073710 -0.064062 -0.062830 0.089793 4C 2dyz 0.003516 -0.082811 -0.000716 -0.091204 -0.063515 0.021735 4C 2dx2y2 -0.025425 0.120992 -0.027551 -0.006154 0.091551 -0.039064 4C 2dxy 0.056069 0.001376 -0.002062 0.041665 0.025324 0.116507 4C 1f0 0.000578 0.000668 0.000960 0.001620 -0.001062 0.001491 4C 1f+1 -0.003666 -0.005864 0.000419 -0.002280 -0.004485 -0.004751 4C 1f-1 -0.005314 0.004674 0.001597 0.001366 0.003772 -0.008510 4C 1f+2 0.001065 0.003497 -0.000889 -0.002480 0.001535 -0.000667 4C 1f-2 0.002597 0.002896 0.000079 0.002726 0.001356 0.002058 4C 1f+3 -0.000826 -0.001488 0.002202 0.002662 0.000937 -0.002280 4C 1f-3 -0.003654 -0.005130 0.001066 0.000101 -0.004529 -0.003795 5C 1s -0.013877 -0.008703 -0.004895 0.005390 0.004267 -0.000938 5C 2s -0.029199 -0.017924 -0.010340 0.011329 0.009352 -0.002040 5C 3s -0.017041 -0.005296 0.029221 -0.010493 0.016017 0.011030 5C 4s 0.669990 0.312588 0.011136 -0.184622 -0.311581 -0.013946 5C 5s 0.046338 -0.062090 0.268875 -0.515442 3.253534 0.153231 5C 1pz 0.101224 0.048942 0.039654 0.003087 0.026736 -0.060102 5C 1px -0.050402 -0.034873 0.032975 -0.037466 0.050204 0.107896 5C 1py -0.129651 -0.145158 -0.096745 0.060862 -0.067347 0.059309 5C 2pz 0.164431 -0.116567 -0.051993 0.011637 0.019645 0.019045 5C 2px -0.141071 -0.049939 0.145164 -0.089861 0.075622 -0.021432 5C 2py -0.200958 -0.120361 -0.008079 0.078552 -0.051198 0.041584 5C 3pz -0.461415 0.173430 0.432426 -0.444334 -0.676809 -0.182561 5C 3px 0.635907 -0.167251 0.326315 0.494673 -0.413444 -0.946808 5C 3py 0.540310 0.921191 -0.487891 0.320264 1.124017 0.352524 5C 1dz2 -0.002481 -0.001781 0.003376 -0.000265 0.000501 0.004017 5C 1dxz 0.011161 0.010243 0.009704 -0.003136 0.003209 -0.008201 5C 1dyz -0.003135 0.001469 -0.003777 0.001958 -0.004731 -0.005711 5C 1dx2y2 -0.002216 -0.003140 -0.013455 0.008556 -0.008074 0.000053 5C 1dxy -0.011304 -0.008080 -0.007224 0.007867 -0.002423 0.016503 5C 2dz2 0.044932 -0.019135 0.023397 0.010765 0.005900 0.121196 5C 2dxz -0.028096 0.080528 0.023453 -0.026642 -0.014955 -0.051823 5C 2dyz -0.018363 -0.008595 0.046613 -0.011666 0.010474 -0.062162 5C 2dx2y2 -0.030653 -0.096639 0.035611 -0.028377 0.024781 -0.058176 5C 2dxy -0.062781 -0.115776 -0.067499 -0.100453 0.009044 0.056586 5C 1f0 -0.000039 0.006751 0.003783 0.004024 -0.000401 -0.001933 5C 1f+1 -0.001305 0.001112 -0.001860 -0.000610 -0.000776 0.002140 5C 1f-1 -0.001008 0.004345 0.000648 -0.001466 -0.000629 -0.003088 5C 1f+2 0.001554 0.001033 -0.003095 0.000467 -0.001181 0.000393 5C 1f-2 0.005671 -0.001857 -0.006068 0.002740 -0.000714 0.005015 5C 1f+3 0.000928 -0.001431 0.001410 0.000916 0.000494 0.006579 5C 1f-3 0.002904 -0.001422 -0.004048 -0.000347 -0.001338 -0.001251 6C 1s 0.013280 -0.008397 0.005493 -0.005179 0.004383 0.000901 6C 2s 0.027947 -0.017269 0.011610 -0.010879 0.009575 0.001964 6C 3s 0.011805 -0.006325 -0.028859 0.012881 0.017289 -0.012155 6C 4s -0.596595 0.306597 -0.037678 0.159297 -0.325937 0.024213 6C 5s -0.065773 -0.088697 -0.143566 0.721673 3.211193 -0.168213 6C 1pz 0.125356 -0.047980 0.039544 0.000491 -0.028740 -0.058802 6C 1px -0.046545 0.038414 0.030322 -0.042218 -0.047079 0.106660 6C 1py -0.134068 0.142786 -0.097265 0.065389 0.065948 0.059165 6C 2pz 0.202528 0.115969 -0.053188 0.009075 -0.017204 0.019129 6C 2px -0.122680 0.056940 0.137683 -0.095904 -0.076930 -0.017311 6C 2py -0.149184 0.119256 -0.011885 0.078177 0.045227 0.045563 6C 3pz -0.632068 -0.171500 0.458777 -0.393096 0.682474 -0.194730 6C 3px 0.569666 0.158046 0.322252 0.526617 0.346743 -0.930934 6C 3py 0.417056 -0.914098 -0.497266 0.260277 -1.114450 0.351026 6C 1dz2 0.002040 -0.001993 -0.003305 0.000369 0.000611 -0.003952 6C 1dxz -0.012454 0.010157 -0.009842 0.003344 0.003526 0.007935 6C 1dyz 0.002984 0.001707 0.003587 -0.002311 -0.004647 0.005660 6C 1dx2y2 0.002873 -0.002668 0.013210 -0.009275 -0.007885 -0.000075 6C 1dxy 0.012103 -0.008171 0.007265 -0.007940 -0.002289 -0.016403 6C 2dz2 -0.052747 -0.019897 -0.023566 -0.010160 0.007168 -0.121976 6C 2dxz 0.002615 0.079468 -0.024625 0.027265 -0.016272 0.049853 6C 2dyz 0.027230 -0.009756 -0.046304 0.012035 0.013601 0.060591 6C 2dx2y2 0.036515 -0.096072 -0.032184 0.028589 0.026274 0.056128 6C 2dxy 0.076691 -0.114125 0.068681 0.100867 -0.001952 -0.054141 6C 1f0 0.001308 -0.006676 0.003857 0.003998 -0.000062 -0.001830 6C 1f+1 -0.000955 -0.001164 -0.001776 -0.000661 0.000954 0.002083 6C 1f-1 -0.001726 -0.004349 0.000743 -0.001359 0.000674 -0.003077 6C 1f+2 0.002371 -0.001129 -0.003079 0.000536 0.001395 0.000387 6C 1f-2 0.004138 0.001706 -0.005991 0.002901 0.000897 0.004750 6C 1f+3 0.000988 0.001470 0.001394 0.000836 -0.000616 0.006596 6C 1f-3 0.001855 0.001293 -0.004043 -0.000125 0.001542 -0.001339 7C 1s 0.006029 -0.001840 -0.011402 0.006768 0.005278 0.001337 7C 2s 0.012150 -0.004356 -0.024077 0.014236 0.011352 0.002586 7C 3s 0.035044 -0.016194 -0.001522 -0.011184 -0.005214 0.035057 7C 4s -0.426056 0.257809 0.470473 -0.252681 -0.130024 -0.188175 7C 5s 0.151236 -1.984110 -0.137985 0.681228 2.315823 0.726333 7C 1pz 0.107210 0.105936 -0.154308 -0.021908 0.010954 0.041368 7C 1px -0.025666 0.005172 0.079846 0.098267 -0.046509 -0.062648 7C 1py 0.033592 0.120694 -0.084815 0.024982 0.002670 -0.017071 7C 2pz 0.086039 -0.094142 -0.149741 -0.018222 -0.052946 0.037966 7C 2px 0.085147 -0.061894 0.074053 0.145750 -0.109836 0.050562 7C 2py 0.056596 0.139274 -0.062426 0.035099 -0.056083 -0.002556 7C 3pz -0.259285 -0.908425 -0.027619 0.628107 0.213866 -0.814234 7C 3px -0.071823 0.373177 -0.745304 -0.513676 0.034931 0.125983 7C 3py -0.025548 -1.138663 -0.354966 0.115161 0.151437 -0.354728 7C 1dz2 0.000551 -0.005871 0.002850 -0.008868 0.005030 0.006047 7C 1dxz -0.012992 -0.004100 0.017289 0.005223 -0.001763 -0.005378 7C 1dyz -0.004694 -0.004640 0.009133 -0.003832 0.004930 0.003077 7C 1dx2y2 0.000877 0.008241 -0.011514 -0.000553 0.001253 -0.008406 7C 1dxy -0.006195 0.001244 0.007167 0.009035 -0.002366 -0.005261 7C 2dz2 -0.031910 -0.053346 0.005359 -0.051014 -0.058854 -0.042117 7C 2dxz -0.016683 -0.035330 0.073990 0.060777 -0.070186 -0.086498 7C 2dyz -0.008046 -0.080026 -0.000119 0.087767 -0.069232 -0.021276 7C 2dx2y2 0.033214 0.121253 0.025814 0.011616 0.088606 0.039754 7C 2dxy -0.054863 0.002559 0.004730 -0.037529 0.027243 -0.115899 7C 1f0 0.000141 -0.000540 0.000943 0.001762 0.000917 0.001564 7C 1f+1 -0.003529 0.006020 0.000311 -0.001948 0.004571 -0.004815 7C 1f-1 -0.005398 -0.004456 0.001638 0.001289 -0.003966 -0.008444 7C 1f+2 0.000492 -0.003588 -0.000714 -0.002567 -0.001279 -0.000582 7C 1f-2 0.001637 -0.002859 0.000002 0.002585 -0.001505 0.001858 7C 1f+3 -0.000236 0.001551 0.002151 0.002624 -0.001253 -0.002178 7C 1f-3 -0.003551 0.005317 0.001054 0.000612 0.004323 -0.003675 8C 1s 0.019271 -0.007602 0.017370 -0.018807 -0.035622 -0.003246 8C 2s 0.040613 -0.017152 0.036192 -0.038170 -0.072819 -0.007505 8C 3s 0.020152 0.047243 0.046291 -0.083688 -0.133124 0.012367 8C 4s -0.935293 0.022650 -1.015450 1.339136 2.344142 0.065912 8C 5s 3.121529 -0.929629 1.960329 -3.704248 -8.850667 0.770916 8C 1pz 0.026275 -0.035767 0.009016 -0.023843 -0.018274 -0.084705 8C 1px -0.039226 0.003085 0.023605 -0.033748 -0.000848 0.031027 8C 1py -0.078788 0.059247 -0.050806 0.003268 0.025326 0.008007 8C 2pz 0.030719 0.000973 -0.021468 -0.082827 -0.003471 -0.342168 8C 2px -0.327688 0.148993 0.046954 -0.144686 0.035202 0.209422 8C 2py -0.129241 0.018697 -0.108406 -0.020361 -0.019649 -0.002158 8C 3pz -0.078211 0.631998 0.120048 0.096963 0.284668 0.495971 8C 3px 0.280735 -0.171427 -0.078894 -0.239500 0.301189 -0.455394 8C 3py 0.306062 -0.211738 -0.136739 0.078003 -0.529761 0.195233 8C 1dz2 -0.001271 0.003065 0.000170 -0.001003 -0.000659 0.002151 8C 1dxz 0.006075 -0.002878 0.001259 0.002503 -0.000068 -0.001918 8C 1dyz 0.000071 0.000065 0.000113 -0.001410 -0.000688 -0.006420 8C 1dx2y2 0.002065 -0.000109 0.001213 0.000168 0.000985 0.001526 8C 1dxy -0.002033 0.003320 0.000804 0.001474 -0.000813 0.005810 8C 2dz2 -0.008995 0.043322 -0.010882 0.023364 -0.000113 0.024859 8C 2dxz 0.002921 -0.006868 -0.005262 -0.033934 -0.005600 -0.012808 8C 2dyz -0.061117 0.036322 -0.039101 -0.001835 0.048652 0.022625 8C 2dx2y2 -0.023155 0.060725 -0.039132 -0.016995 0.044140 -0.020050 8C 2dxy -0.068551 0.081353 -0.005421 0.025526 0.008232 0.023179 8C 1f0 0.006096 -0.005873 0.005707 -0.002421 -0.006215 0.002967 8C 1f+1 -0.002970 0.001448 0.001730 -0.004099 -0.002402 0.006315 8C 1f-1 0.001824 0.001037 0.003865 -0.005886 -0.009667 -0.003448 8C 1f+2 -0.010643 -0.000918 -0.008472 0.013399 0.022517 0.002224 8C 1f-2 -0.001715 -0.004003 -0.007533 0.009743 0.016208 -0.003962 8C 1f+3 0.000479 0.002092 0.001779 0.001821 -0.002734 0.001827 8C 1f-3 0.006411 -0.003796 0.003281 0.003042 -0.004030 -0.004088 9C 1s 0.005394 0.022507 -0.021271 0.006023 -0.027084 -0.015439 9C 2s 0.012163 0.047908 -0.045102 0.011822 -0.054421 -0.030993 9C 3s -0.030718 -0.002955 -0.026972 0.048836 -0.148065 -0.097986 9C 4s -0.069427 -0.910948 1.076395 -0.564285 2.084480 1.247456 9C 5s 0.486589 4.462294 -2.488087 0.938112 -6.700996 -2.695437 9C 1pz 0.047125 0.064270 -0.079230 -0.049469 0.023483 0.003954 9C 1px -0.025676 0.038824 0.043221 0.032329 0.003721 -0.040689 9C 1py 0.052465 0.051304 -0.031636 0.053155 -0.013162 0.049178 9C 2pz 0.049051 -0.056803 -0.174094 -0.198155 0.056694 -0.050814 9C 2px -0.164282 0.079202 0.297541 0.218473 -0.018237 -0.212977 9C 2py 0.099855 0.011742 0.011972 0.261700 -0.090994 0.146429 9C 3pz -0.263546 -0.838375 0.024760 0.567663 -0.051751 -0.279316 9C 3px 0.527892 -0.472045 -0.485385 -0.070620 0.157984 0.350500 9C 3py -0.161467 -0.258273 0.010266 -0.013207 0.142437 -0.406435 9C 1dz2 -0.000088 0.000218 0.000433 0.003421 -0.000440 0.001252 9C 1dxz 0.004926 -0.000848 -0.005087 -0.002146 0.000541 0.006788 9C 1dyz 0.001139 0.002960 0.001584 0.000933 0.001813 0.001084 9C 1dx2y2 0.000604 -0.000735 0.001780 0.005472 -0.001004 0.000706 9C 1dxy 0.001317 -0.000588 -0.003250 -0.006510 0.003181 0.000494 9C 2dz2 0.005398 0.038764 -0.024857 -0.006589 -0.005631 0.009356 9C 2dxz 0.042465 0.020059 -0.030869 -0.025211 0.029982 0.000221 9C 2dyz 0.046507 0.117204 -0.074685 -0.021687 0.010087 0.013077 9C 2dx2y2 -0.008581 -0.059939 -0.012098 -0.031623 0.006822 -0.013902 9C 2dxy 0.050956 0.025734 -0.029227 0.009498 0.012036 0.018109 9C 1f0 0.001604 0.004020 -0.000222 0.010187 -0.007589 -0.003431 9C 1f+1 -0.003920 -0.003077 0.003047 0.001046 -0.002296 -0.004407 9C 1f-1 -0.002067 -0.004266 -0.003434 -0.000342 -0.009244 -0.005276 9C 1f+2 0.002576 -0.004244 0.002819 -0.006860 0.015871 0.014190 9C 1f-2 -0.002095 0.005180 -0.007849 0.007110 -0.017982 -0.008348 9C 1f+3 -0.001149 -0.007120 0.010253 0.000007 0.011766 0.010770 9C 1f-3 -0.002420 -0.002345 0.007393 0.001503 0.003227 -0.002634 10H 1s 0.016831 0.018712 -0.025953 -0.028513 -0.014400 0.029791 10H 2s 0.130904 0.194181 -0.285284 -0.412996 -0.159434 0.389754 10H 3s -0.428576 -0.855803 0.208360 1.245230 1.743657 -1.620797 10H 1pz -0.002670 0.005655 -0.003975 -0.020868 -0.015658 0.013354 10H 1px -0.004803 -0.015784 0.007588 0.024375 0.021278 -0.025499 10H 1py -0.000161 -0.002980 0.002251 0.002218 -0.002530 0.009485 11H 1s -0.016627 0.001553 0.016342 -0.012757 -0.019214 -0.019652 11H 2s -0.138092 0.104390 0.227206 -0.209094 -0.255612 -0.189573 11H 3s 0.516573 -0.508772 -1.093191 0.785881 1.649948 -0.269912 11H 1pz 0.001871 0.014704 0.007559 -0.014298 -0.019591 0.007606 11H 1px -0.001599 0.007705 0.015811 -0.005678 -0.020932 0.002850 11H 1py 0.011461 -0.003924 -0.009510 0.013795 0.013766 0.005054 12H 1s 0.002934 0.011371 0.023531 0.042118 -0.002027 0.013790 12H 2s 0.046067 0.016589 0.353564 0.484441 -0.062638 0.194657 12H 3s 0.245978 -0.681680 -1.124067 -0.248172 1.357691 -0.840790 12H 1pz 0.000850 -0.009697 -0.006658 -0.010316 0.000995 -0.004755 12H 1px 0.000183 0.001781 0.014294 0.007995 -0.012604 0.005498 12H 1py 0.001347 0.001603 0.022374 0.011771 -0.020315 0.020083 13H 1s 0.020303 0.016234 -0.006955 0.007311 -0.015314 -0.037172 13H 2s 0.257854 0.131473 -0.106024 0.208185 -0.160521 -0.430953 13H 3s 0.084166 -0.461125 0.822805 -0.909289 1.946345 1.190117 13H 1pz 0.000212 -0.001267 -0.010438 0.013403 -0.018471 -0.016150 13H 1px -0.006228 -0.006507 0.008485 -0.016064 0.020627 0.015055 13H 1py -0.005471 -0.001080 0.003353 -0.015444 0.010201 0.001797 14H 1s -0.034852 -0.012316 -0.010257 -0.008374 -0.013039 0.004359 14H 2s -0.473243 -0.211746 -0.177982 -0.147962 -0.189486 0.063535 14H 3s 1.404096 0.368609 0.770017 -0.764465 1.777567 -0.256216 14H 1pz -0.013560 -0.009045 -0.009753 0.002092 -0.014075 -0.003079 14H 1px -0.030807 -0.010894 -0.016903 0.001140 -0.028802 0.005294 14H 1py -0.007277 -0.002570 -0.002876 0.001151 -0.003695 -0.002795 15H 1s -0.001365 -0.007368 0.002304 0.012098 -0.019038 0.034974 15H 2s -0.041939 0.024115 -0.000596 0.136217 -0.225507 0.418646 15H 3s 0.838971 0.316070 0.552654 -0.946517 1.834961 -0.762247 15H 1pz 0.007395 0.005297 0.006889 -0.013256 0.021573 -0.018411 15H 1px -0.007910 0.003008 -0.003966 -0.002991 -0.007485 0.001443 15H 1py 0.007929 -0.010712 0.007422 -0.013205 0.023487 -0.009108 16H 1s 0.024264 0.053272 0.004019 0.032447 0.011390 0.007797 16H 2s 0.252561 0.711567 0.016491 0.387305 0.122046 0.125893 16H 3s -0.245168 -0.551313 0.011333 -0.217252 -0.111780 -0.270527 16H 1pz 0.015948 0.039881 -0.001999 0.018189 0.009198 0.009826 16H 1px -0.003127 -0.011652 0.002084 -0.004466 -0.000716 -0.009438 16H 1py 0.000511 0.011093 0.000487 0.008121 -0.000584 -0.002342 17H 1s -0.019282 -0.026504 0.000850 0.014279 -0.019023 -0.007406 17H 2s -0.339693 -0.314041 0.063494 0.125198 -0.286907 -0.227577 17H 3s 0.300787 0.343679 -0.121671 -0.013042 0.275074 0.142970 17H 1pz 0.014932 0.014683 0.000023 0.001794 0.009586 0.009036 17H 1px 0.022640 0.017104 -0.008492 0.000788 0.017250 0.019087 17H 1py -0.009023 -0.001642 -0.000356 0.003970 -0.005595 -0.006449 18H 1s 0.029467 -0.026246 -0.001764 -0.017451 -0.018437 0.007258 18H 2s 0.481829 -0.315300 -0.072827 -0.166391 -0.279057 0.227995 18H 3s -0.378242 0.347814 0.123544 0.045269 0.270939 -0.146763 18H 1pz 0.019120 -0.014938 -0.000127 0.000465 -0.009920 0.009553 18H 1px 0.028967 -0.017466 -0.008511 -0.001068 -0.016899 0.019533 18H 1py -0.012753 0.001098 -0.000024 0.004844 0.005139 -0.005974 19H 1s -0.022294 0.053606 -0.005806 -0.031275 0.013402 -0.008251 19H 2s -0.231387 0.713587 -0.043427 -0.377839 0.143116 -0.137674 19H 3s 0.267425 -0.555574 0.006608 0.202280 -0.118694 0.278829 19H 1pz 0.016623 -0.039560 -0.000570 0.017351 -0.010010 0.010710 19H 1px -0.003524 0.012014 0.001448 -0.004647 0.000694 -0.009958 19H 1py -0.000911 -0.011874 0.001059 0.008831 -0.000146 -0.001788 20H 1s -0.000465 -0.007795 -0.002888 -0.013620 -0.017814 -0.035421 20H 2s 0.057904 0.019508 -0.009312 -0.157966 -0.212574 -0.422332 20H 3s -0.758502 0.301939 -0.505428 1.078290 1.788570 0.757281 20H 1pz 0.006439 -0.005174 0.006246 -0.014972 -0.020845 -0.018515 20H 1px -0.008860 -0.003095 -0.003720 -0.002210 0.008178 0.001448 20H 1py 0.010617 0.010844 0.006374 -0.015180 -0.022703 -0.008835 21H 1s 0.037608 -0.012317 0.010224 0.007779 -0.014507 -0.003533 21H 2s 0.472137 -0.210177 0.178213 0.138253 -0.213218 -0.054125 21H 3s -1.403465 0.348926 -0.730440 0.877829 1.766560 0.221423 21H 1pz -0.011477 0.008782 -0.009715 0.002918 0.014660 -0.003275 21H 1px -0.029085 0.010442 -0.016282 0.003007 0.029614 0.004766 21H 1py -0.009839 0.002517 -0.002887 0.001356 0.003881 -0.003069 22H 1s -0.019968 0.017135 0.005908 -0.008656 -0.014614 0.036989 22H 2s -0.262203 0.142403 0.096908 -0.221420 -0.144590 0.428899 22H 3s -0.013911 -0.513494 -0.752126 1.050221 1.907204 -1.201072 22H 1pz 0.002002 0.000654 -0.009907 0.014457 0.017770 -0.016199 22H 1px -0.006310 0.007139 0.007663 -0.017620 -0.019629 0.015195 22H 1py -0.006130 0.001323 0.003094 -0.016264 -0.009255 0.001902 23H 1s -0.000038 0.009921 -0.023761 -0.042839 0.001404 -0.014397 23H 2s -0.039827 -0.001112 -0.354287 -0.492536 -0.020797 -0.200762 23H 3s -0.270522 -0.637747 1.204825 0.364117 1.308189 0.852887 23H 1pz 0.003002 0.009335 -0.007142 -0.010850 -0.000248 -0.004975 23H 1px 0.000125 -0.001158 0.014466 0.008603 0.011426 0.005070 23H 1py 0.003479 -0.000810 0.023417 0.013274 0.019123 0.020387 24H 1s 0.014279 0.001000 -0.017566 0.011206 -0.019104 0.020279 24H 2s 0.149881 0.097923 -0.244665 0.186201 -0.258323 0.199945 24H 3s -0.434418 -0.481585 1.193364 -0.652922 1.655707 0.255022 24H 1pz -0.000718 -0.014567 0.008787 -0.012578 0.020239 0.007231 24H 1px -0.002775 -0.007440 0.017232 -0.004282 0.021106 0.002313 24H 1py 0.010064 0.003582 -0.010129 0.012647 -0.013957 0.005347 25H 1s -0.019715 0.019684 0.025258 0.028356 -0.017957 -0.029784 25H 2s -0.170164 0.206883 0.277003 0.409558 -0.205022 -0.392401 25H 3s 0.546434 -0.877569 -0.123591 -1.155678 1.862270 1.611142 25H 1pz -0.001175 -0.006146 -0.003258 -0.019990 0.017478 0.013555 25H 1px -0.007264 0.016221 0.006342 0.023043 -0.023511 -0.025673 25H 1py 0.001051 0.003208 0.002246 0.002560 0.002091 0.009428 26O 1s 0.002781 -0.002075 -0.002927 0.002697 0.000900 -0.000365 26O 2s 0.005539 -0.004715 -0.006921 0.005939 0.001472 -0.001093 26O 3s 0.012642 0.003345 0.005602 0.002404 0.012117 0.006727 26O 4s -0.118748 0.066598 0.057562 -0.089884 -0.090418 -0.004628 26O 5s 0.012233 -0.440720 0.296061 0.282307 -0.225056 -0.180654 26O 1pz -0.069706 0.034268 0.061568 -0.028813 -0.016089 -0.014043 26O 1px 0.006048 -0.038332 -0.037849 0.057762 -0.003233 -0.063790 26O 1py 0.007423 -0.021303 0.041150 0.075847 -0.011588 0.017424 26O 2pz -0.106839 0.048596 0.066005 -0.048057 -0.015769 -0.020069 26O 2px 0.010361 -0.011831 -0.060082 0.062154 0.023729 -0.053320 26O 2py 0.037661 0.006726 0.042853 0.108210 0.003203 0.061820 26O 3pz 0.211962 -0.120882 -0.006725 0.042129 0.096824 0.058566 26O 3px 0.272248 0.075593 -0.063985 0.066236 0.109598 0.128166 26O 3py -0.065899 -0.126790 -0.095232 -0.203754 0.074288 -0.169586 26O 1dz2 -0.002605 0.000277 0.001988 -0.001079 -0.001404 -0.001089 26O 1dxz -0.000722 0.001141 0.003204 0.002435 0.001055 -0.000617 26O 1dyz -0.000601 0.002107 0.002875 0.001384 -0.000635 0.000141 26O 1dx2y2 0.002926 -0.002811 -0.000857 0.001598 -0.000143 0.002309 26O 1dxy 0.000508 0.002539 -0.000119 0.000524 0.000896 -0.000210 26O 2dz2 0.009284 0.014136 -0.003444 -0.002903 0.002915 0.014259 26O 2dxz -0.009265 0.009033 0.018015 -0.004154 -0.007361 -0.003578 26O 2dyz -0.011907 -0.005397 0.011943 -0.000429 -0.000706 -0.001535 26O 2dx2y2 -0.004638 -0.018218 -0.010074 0.005354 -0.005967 -0.016510 26O 2dxy -0.008330 -0.009252 0.010739 0.012982 -0.004990 -0.009975 26O 1f0 -0.000854 0.000769 0.000656 -0.000525 -0.000431 -0.000295 26O 1f+1 -0.000417 -0.001018 -0.000225 -0.000122 0.000020 -0.000976 26O 1f-1 -0.000447 -0.000224 0.000618 -0.000751 -0.000669 0.000281 26O 1f+2 0.000722 -0.000489 -0.000401 0.000770 0.000497 0.000052 26O 1f-2 0.000795 -0.000520 -0.001103 -0.000442 0.000176 -0.000049 26O 1f+3 -0.000333 -0.000562 -0.001765 -0.000131 -0.000146 -0.000955 26O 1f-3 -0.001116 -0.000700 0.000445 0.000104 0.000085 -0.001166 27O 1s 0.004170 0.003573 0.001930 -0.001019 0.004373 0.002851 27O 2s 0.010148 0.008755 0.004716 -0.001586 0.009765 0.007216 27O 3s -0.015415 -0.014374 -0.005394 -0.012798 0.000151 -0.018471 27O 4s -0.035980 -0.025445 -0.032276 0.093638 -0.145353 0.002498 27O 5s -0.241236 0.025372 -0.248039 -0.270101 0.123896 0.536771 27O 1pz -0.072726 -0.023184 -0.029979 -0.001117 -0.024465 -0.028829 27O 1px 0.013125 0.023104 0.060399 -0.054867 0.021715 0.043371 27O 1py 0.030212 0.055485 0.011536 -0.061982 0.041340 -0.063770 27O 2pz -0.103852 -0.018430 -0.028394 -0.026699 -0.034225 -0.066854 27O 2px 0.010798 0.039611 0.088986 -0.068054 0.034149 -0.000172 27O 2py 0.026976 0.067741 0.000308 -0.092521 0.049097 -0.077623 27O 3pz 0.169149 -0.102376 -0.076049 0.190053 0.075146 0.192861 27O 3px 0.054535 -0.140298 0.096705 -0.053458 -0.081914 -0.199815 27O 3py 0.060794 0.129166 0.100144 0.167787 -0.064599 0.201056 27O 1dz2 -0.000400 -0.000830 0.000009 0.000004 0.000360 -0.001154 27O 1dxz -0.000517 -0.001659 -0.001070 0.002182 0.000136 0.002055 27O 1dyz 0.001049 0.000118 0.000927 -0.000939 0.001452 -0.001312 27O 1dx2y2 0.002125 0.000691 0.001904 -0.001141 0.000812 -0.001186 27O 1dxy 0.003714 0.002637 0.001894 0.001302 0.000158 -0.001885 27O 2dz2 0.004997 -0.005022 -0.002240 0.002044 -0.002007 -0.006275 27O 2dxz -0.015651 -0.012658 -0.013658 0.000715 -0.007212 0.003607 27O 2dyz 0.003904 0.011549 -0.002179 -0.000686 0.001573 -0.003036 27O 2dx2y2 0.006194 0.004377 0.008531 -0.011910 0.009988 0.022164 27O 2dxy 0.013018 0.009699 0.013136 -0.007286 0.005630 -0.023657 27O 1f0 -0.000520 -0.000338 -0.000288 -0.000726 0.000227 0.000716 27O 1f+1 0.000007 -0.000128 0.000054 0.000038 0.000486 0.000892 27O 1f-1 0.000412 0.000215 0.000654 -0.000207 0.000341 -0.000306 27O 1f+2 0.001120 0.001006 0.001298 -0.000272 0.001086 -0.000315 27O 1f-2 -0.000239 -0.000043 0.000340 -0.000241 0.000191 0.000664 27O 1f+3 0.000042 -0.000372 0.000568 -0.000990 0.000502 0.000261 27O 1f-3 0.000673 0.000335 0.001374 -0.001089 0.000374 -0.001256 28O 1s 0.003685 -0.008346 -0.005409 -0.000241 -0.003891 0.004786 28O 2s 0.009583 -0.019702 -0.012573 -0.000301 -0.010379 0.011296 28O 3s -0.022740 0.022637 0.007164 -0.004438 0.032509 -0.013384 28O 4s -0.001012 0.140424 0.128188 0.028116 -0.055921 -0.069087 28O 5s 0.003466 -0.362107 -0.367488 -0.343388 -0.022057 0.476669 28O 1pz 0.053272 0.020578 -0.056528 -0.035918 -0.046672 0.056115 28O 1px -0.049525 0.053474 0.127842 0.011885 0.002865 0.001294 28O 1py -0.019989 0.045876 -0.011003 -0.068280 -0.018075 -0.025752 28O 2pz 0.078091 0.030629 -0.070849 -0.028968 -0.040215 0.060554 28O 2px -0.053100 0.046558 0.146303 0.015113 -0.016391 0.029562 28O 2py -0.018133 0.059772 -0.033160 -0.102045 -0.026689 -0.055201 28O 3pz -0.244519 0.284318 0.140363 -0.040877 0.071907 -0.224462 28O 3px 0.027787 -0.164410 0.041791 -0.087304 0.017001 0.059428 28O 3py -0.082259 0.061772 0.221273 0.231986 0.105032 0.132154 28O 1dz2 -0.002077 0.001525 0.000694 -0.002850 -0.000095 -0.000438 28O 1dxz -0.000027 0.000276 0.002173 0.001484 0.000282 0.000166 28O 1dyz 0.001066 0.000647 0.000722 0.000341 -0.001161 0.003275 28O 1dx2y2 0.000942 -0.000059 -0.001629 0.000719 -0.000462 0.000590 28O 1dxy -0.001003 -0.000851 -0.000603 -0.002333 -0.001034 -0.002014 28O 2dz2 0.000965 0.010470 0.003098 -0.004383 -0.006013 0.012024 28O 2dxz -0.011788 0.021867 0.021184 0.010372 0.005891 -0.016255 28O 2dyz -0.001470 0.006303 0.000980 -0.009324 -0.010641 0.003872 28O 2dx2y2 0.017029 -0.011113 -0.025211 0.003601 0.000488 0.004092 28O 2dxy 0.001150 0.001534 -0.000458 0.008186 0.001785 -0.008539 28O 1f0 -0.000087 -0.001075 -0.000428 -0.000535 0.000027 -0.000776 28O 1f+1 0.000021 0.000187 0.000588 0.000264 -0.000235 0.000898 28O 1f-1 -0.000657 0.000677 0.000982 0.000503 -0.000435 -0.000316 28O 1f+2 -0.000026 0.000679 0.000221 -0.000227 0.000102 0.000025 28O 1f-2 -0.000215 0.000364 0.001171 -0.001095 -0.000631 0.000164 28O 1f+3 -0.000907 0.001017 0.001189 -0.000657 -0.000370 -0.000096 28O 1f-3 -0.000580 -0.000150 0.001057 -0.000407 0.000025 0.000006 29O 1s 0.001976 0.002597 -0.002903 0.005535 -0.000073 -0.000252 29O 2s 0.004435 0.005395 -0.007024 0.012439 0.000206 -0.000750 29O 3s -0.001645 0.008884 0.012012 -0.000082 -0.007581 0.002236 29O 4s -0.067077 -0.086951 0.027634 -0.123765 0.024463 -0.015441 29O 5s 0.178620 -0.044151 -0.012108 -0.111510 0.018383 0.107697 29O 1pz 0.026436 0.066141 -0.002622 0.020909 0.015162 0.017953 29O 1px 0.012465 0.018706 0.012086 -0.011021 0.012690 0.000117 29O 1py 0.023252 0.012435 0.047992 0.017151 0.001475 0.018570 29O 2pz 0.085014 0.157610 -0.020253 0.051471 0.050186 0.050197 29O 2px 0.033865 0.055010 0.042946 -0.012018 0.026793 0.010011 29O 2py 0.033901 0.032575 0.094064 0.050810 -0.003353 0.029676 29O 3pz 0.140561 0.345560 0.046907 0.108710 0.090035 0.087320 29O 3px 0.072874 -0.013562 -0.159835 -0.036066 0.095085 0.096050 29O 3py -0.128713 0.030954 -0.127399 0.059207 -0.071846 -0.118501 29O 1dz2 0.002035 0.005835 0.001189 0.003721 0.000719 0.001015 29O 1dxz -0.002706 -0.001779 0.000785 0.000915 -0.002444 -0.001014 29O 1dyz 0.004060 0.007815 -0.000324 0.002092 0.002941 0.002302 29O 1dx2y2 0.000374 -0.001176 -0.000242 -0.000592 0.000401 0.000210 29O 1dxy 0.002570 0.001876 -0.000539 -0.001191 0.002061 0.001911 29O 2dz2 -0.010553 -0.020573 0.002065 -0.007457 -0.006898 -0.011336 29O 2dxz 0.012081 0.023067 -0.002237 0.007494 0.008255 0.015670 29O 2dyz -0.010290 -0.021844 -0.000295 -0.005659 -0.005973 -0.006185 29O 2dx2y2 0.004729 0.005273 -0.007012 -0.001069 0.006406 0.000804 29O 2dxy -0.010400 -0.003398 0.007315 -0.000972 -0.008888 -0.006271 29O 1f0 0.000172 0.002186 -0.000071 0.001347 0.000034 -0.000107 29O 1f+1 0.001117 0.001180 -0.000105 0.000100 0.000772 0.001171 29O 1f-1 0.000618 0.002959 0.000287 0.001777 0.000074 0.000521 29O 1f+2 -0.000533 -0.001296 0.000318 -0.000669 -0.000389 -0.000423 29O 1f-2 -0.002123 -0.001918 0.000648 -0.000141 -0.001525 -0.001661 29O 1f+3 0.000538 0.000624 -0.000419 0.000004 0.000540 0.000638 29O 1f-3 0.000976 0.000850 -0.000237 -0.000094 0.000723 0.000657 30O 1s 0.006243 0.006202 0.003546 0.000607 -0.001656 -0.002331 30O 2s 0.014299 0.015089 0.008469 0.000842 -0.005034 -0.005543 30O 3s -0.003641 -0.023292 -0.012241 0.006565 0.024992 0.005929 30O 4s -0.151055 -0.083083 -0.068348 -0.042542 -0.101714 0.060907 30O 5s 0.275878 0.529039 0.296530 0.412864 0.361527 -0.478100 30O 1pz 0.080486 0.023951 0.025675 0.023863 -0.009026 -0.018412 30O 1px -0.095237 -0.090849 -0.092080 0.044773 -0.040034 0.066874 30O 1py -0.022573 -0.052230 0.027690 0.032726 0.040737 0.068790 30O 2pz 0.125978 0.014307 0.019411 0.032537 -0.010886 0.001124 30O 2px -0.114148 -0.075886 -0.083608 0.067710 -0.053019 0.059394 30O 2py -0.045329 -0.028286 0.067742 0.058818 0.059828 0.089106 30O 3pz -0.196569 -0.083299 -0.147951 -0.136669 -0.002229 0.001467 30O 3px -0.203037 0.047026 0.121170 -0.016471 0.169876 -0.075528 30O 3py 0.094698 -0.088046 -0.036112 -0.098739 -0.109400 -0.255606 30O 1dz2 -0.002906 0.001387 -0.000243 -0.002024 0.000610 -0.002687 30O 1dxz -0.002054 -0.001589 0.001713 0.001276 0.000476 0.000909 30O 1dyz -0.001119 -0.000244 0.002313 -0.001481 0.002256 0.001078 30O 1dx2y2 0.002076 0.002364 0.000553 -0.001151 0.000842 0.000369 30O 1dxy 0.004069 0.000184 -0.000072 0.000945 0.000639 0.001856 30O 2dz2 -0.001103 -0.008504 -0.006092 0.003987 -0.002022 0.008449 30O 2dxz -0.006940 -0.020881 -0.018284 -0.000432 -0.007919 0.025521 30O 2dyz -0.005484 -0.018086 -0.002715 -0.004380 0.003546 0.014722 30O 2dx2y2 0.011027 0.009526 0.016360 -0.016611 0.014121 -0.001157 30O 2dxy 0.004093 0.008835 0.014328 -0.000238 0.005347 -0.020931 30O 1f0 0.000177 0.000293 0.000975 -0.000712 0.000726 -0.001541 30O 1f+1 -0.000047 -0.000179 0.000437 0.000306 0.000223 0.000770 30O 1f-1 0.000277 -0.000048 0.000092 0.000264 0.000010 0.000703 30O 1f+2 0.000330 -0.000674 -0.001158 0.000605 -0.000410 0.000253 30O 1f-2 0.000894 -0.000424 -0.000616 -0.000223 0.000062 0.000370 30O 1f+3 -0.001760 -0.000303 -0.001032 0.000836 -0.000801 -0.000276 30O 1f-3 0.000511 -0.000262 -0.001492 0.000014 -0.000573 0.000599 31O 1s -0.007028 0.006126 -0.003690 -0.000759 -0.001517 0.002263 31O 2s -0.016242 0.014907 -0.008847 -0.001274 -0.004741 0.005376 31O 3s 0.007908 -0.022994 0.013223 -0.004862 0.025004 -0.005564 31O 4s 0.157211 -0.082250 0.066975 0.036396 -0.106761 -0.059818 31O 5s -0.352016 0.525873 -0.293419 -0.382088 0.410428 0.461828 31O 1pz 0.079415 -0.023780 0.027059 0.025213 0.005646 -0.018790 31O 1px -0.101125 0.088570 -0.092855 0.047652 0.041030 0.065382 31O 1py -0.027228 0.054224 0.024234 0.030135 -0.043276 0.068552 31O 2pz 0.116088 -0.014624 0.021198 0.035095 0.007064 -0.000031 31O 2px -0.114057 0.073617 -0.084074 0.071049 0.051748 0.058358 31O 2py -0.047773 0.032177 0.063808 0.054891 -0.066125 0.089578 31O 3pz -0.193301 0.080848 -0.146176 -0.139441 0.021874 -0.005563 31O 3px -0.168126 -0.042714 0.112109 -0.029661 -0.176684 -0.065891 31O 3py 0.130433 0.082292 -0.040249 -0.093462 0.116302 -0.249886 31O 1dz2 0.002887 0.001387 0.000246 0.002091 0.000467 0.002633 31O 1dxz 0.001735 -0.001625 -0.001622 -0.001246 0.000666 -0.000974 31O 1dyz 0.000901 -0.000315 -0.002222 0.001664 0.002236 -0.001075 31O 1dx2y2 -0.002266 0.002304 -0.000609 0.001259 0.000726 -0.000311 31O 1dxy -0.003962 0.000167 0.000053 -0.000924 0.000700 -0.001844 31O 2dz2 0.000841 -0.008242 0.006153 -0.004239 -0.001992 -0.008721 31O 2dxz 0.008854 -0.020513 0.018216 -0.000340 -0.009046 -0.025047 31O 2dyz 0.009292 -0.018484 0.003296 0.004483 0.002835 -0.014207 31O 2dx2y2 -0.014180 0.009105 -0.016055 0.017776 0.013647 0.000686 31O 2dxy -0.007989 0.008591 -0.013993 0.000794 0.006238 0.020250 31O 1f0 0.000287 -0.000276 0.000934 -0.000765 -0.000731 -0.001510 31O 1f+1 0.000018 0.000179 0.000421 0.000291 -0.000260 0.000800 31O 1f-1 0.000339 0.000047 0.000089 0.000265 -0.000030 0.000721 31O 1f+2 0.000163 0.000645 -0.001153 0.000648 0.000413 0.000238 31O 1f-2 0.000664 0.000424 -0.000603 -0.000210 0.000003 0.000324 31O 1f+3 -0.001806 0.000288 -0.001020 0.000884 0.000775 -0.000278 31O 1f-3 0.000268 0.000220 -0.001451 0.000072 0.000646 0.000568 32O 1s -0.001174 0.002797 0.002699 -0.005688 0.000050 0.000014 32O 2s -0.002755 0.005859 0.006610 -0.012753 0.000458 0.000202 32O 3s 0.004771 0.008514 -0.012938 -0.000623 -0.007018 -0.001914 32O 4s 0.038959 -0.091249 -0.019673 0.129388 0.020123 0.019647 32O 5s -0.200572 -0.038950 0.013952 0.115979 0.011705 -0.104453 32O 1pz 0.031776 -0.066480 -0.002160 0.017035 -0.015999 0.017910 32O 1px 0.012458 -0.018493 0.011957 -0.012717 -0.012228 -0.000645 32O 1py 0.009810 -0.013784 0.050621 0.018911 -0.004182 0.017893 32O 2pz 0.100506 -0.158763 -0.019178 0.041996 -0.051796 0.051482 32O 2px 0.031471 -0.054041 0.043709 -0.015666 -0.027432 0.008053 32O 2py 0.001142 -0.036209 0.100281 0.055806 -0.003421 0.028327 32O 3pz 0.160703 -0.342228 0.060264 0.099820 -0.101428 0.094454 32O 3px 0.161446 0.013347 -0.170354 -0.052512 -0.086077 0.101959 32O 3py -0.122148 -0.037878 -0.127455 0.067261 0.069715 -0.106137 32O 1dz2 -0.001379 0.005493 -0.001443 -0.003630 0.000840 -0.000969 32O 1dxz 0.003790 -0.001952 -0.000902 -0.001197 -0.002452 0.001095 32O 1dyz -0.004934 0.008017 0.000117 -0.001881 0.003089 -0.002439 32O 1dx2y2 -0.000215 -0.001343 0.000275 0.000645 0.000255 -0.000111 32O 1dxy -0.003568 0.001786 0.000609 0.001469 0.001912 -0.001911 32O 2dz2 0.011999 -0.019463 -0.001365 0.006507 -0.006798 0.011268 32O 2dxz -0.015782 0.023715 0.001770 -0.006644 0.008708 -0.016539 32O 2dyz 0.012770 -0.022315 0.000985 0.005272 -0.006369 0.007058 32O 2dx2y2 -0.006101 0.005930 0.007090 0.001370 0.006317 -0.001344 32O 2dxy 0.013131 -0.003091 -0.007431 -0.000141 -0.008423 0.005849 32O 1f0 -0.000099 -0.002042 0.000012 0.001276 -0.000096 -0.000064 32O 1f+1 0.001565 -0.001203 -0.000115 -0.000034 -0.000816 0.001235 32O 1f-1 0.000333 -0.003015 0.000460 0.001856 -0.000148 0.000575 32O 1f+2 -0.000447 0.001373 0.000233 -0.000728 0.000371 -0.000460 32O 1f-2 -0.002793 0.001965 0.000665 0.000026 0.001505 -0.001683 32O 1f+3 0.000686 -0.000560 -0.000401 -0.000057 -0.000466 0.000592 32O 1f-3 0.001317 -0.000894 -0.000263 -0.000163 -0.000720 0.000693 33O 1s -0.003505 -0.008099 0.005681 0.000240 -0.004142 -0.004569 33O 2s -0.009089 -0.019104 0.013170 0.000219 -0.010942 -0.010758 33O 3s 0.020832 0.021911 -0.007042 0.006061 0.032499 0.012294 33O 4s 0.006055 0.136793 -0.138050 -0.037222 -0.048331 0.068067 33O 5s -0.009256 -0.353581 0.391846 0.348264 -0.061451 -0.472094 33O 1pz 0.057016 -0.023415 -0.055454 -0.034043 0.051174 0.056147 33O 1px -0.051558 -0.049432 0.130972 0.014617 -0.008194 0.001876 33O 1py -0.013270 -0.046930 -0.008006 -0.067503 0.024068 -0.025650 33O 2pz 0.084030 -0.034885 -0.069487 -0.027957 0.044838 0.061154 33O 2px -0.054415 -0.042036 0.149512 0.018984 0.010127 0.029588 33O 2py -0.010335 -0.061904 -0.029345 -0.101018 0.036356 -0.054757 33O 3pz -0.227972 -0.274752 0.150340 -0.046029 -0.073574 -0.219271 33O 3px -0.000149 0.167297 0.032323 -0.085160 -0.012252 0.053948 33O 3py -0.061742 -0.052901 0.219095 0.223896 -0.131071 0.134695 33O 1dz2 0.001847 0.001490 -0.000759 0.002859 -0.000306 0.000524 33O 1dxz 0.000325 0.000198 -0.002183 -0.001549 0.000472 -0.000174 33O 1dyz -0.000674 0.000629 -0.000776 -0.000460 -0.001157 -0.003239 33O 1dx2y2 -0.001081 0.000022 0.001627 -0.000707 -0.000437 -0.000630 33O 1dxy 0.000672 -0.000796 0.000531 0.002267 -0.001208 0.002017 33O 2dz2 -0.000578 0.010486 -0.003558 0.003918 -0.006374 -0.011820 33O 2dxz 0.012611 0.021109 -0.022319 -0.010576 0.007467 0.015756 33O 2dyz -0.000871 0.006456 -0.001325 0.008946 -0.011451 -0.003958 33O 2dx2y2 -0.015300 -0.010541 0.025999 -0.003267 -0.000145 -0.003842 33O 2dxy -0.002512 0.001615 0.000464 -0.007810 0.002569 0.008338 33O 1f0 -0.000018 0.001069 -0.000477 -0.000555 0.000011 -0.000790 33O 1f+1 -0.000095 -0.000169 0.000591 0.000299 0.000206 0.000871 33O 1f-1 -0.000592 -0.000638 0.001023 0.000531 0.000354 -0.000309 33O 1f+2 -0.000051 -0.000685 0.000269 -0.000225 -0.000091 0.000046 33O 1f-2 -0.000207 -0.000343 0.001212 -0.001038 0.000676 0.000148 33O 1f+3 -0.000883 -0.000994 0.001260 -0.000612 0.000375 -0.000087 33O 1f-3 -0.000588 0.000185 0.001062 -0.000385 -0.000030 0.000007 34O 1s -0.004652 0.003394 -0.001910 0.001428 0.004338 -0.002774 34O 2s -0.011311 0.008301 -0.004695 0.002546 0.009747 -0.007026 34O 3s 0.017315 -0.013442 0.005868 0.011988 -0.000845 0.018080 34O 4s 0.041629 -0.024835 0.028832 -0.103106 -0.139372 -0.002640 34O 5s 0.221731 0.031421 0.242091 0.278563 0.083534 -0.530404 34O 1pz -0.071739 0.022891 -0.030213 0.000187 0.026031 -0.028125 34O 1px 0.014999 -0.019642 0.060534 -0.057356 -0.019271 0.043045 34O 1py 0.035937 -0.055836 0.011842 -0.065006 -0.037432 -0.063269 34O 2pz -0.106251 0.018586 -0.028501 -0.024838 0.037291 -0.066339 34O 2px 0.012025 -0.035056 0.088821 -0.071367 -0.032491 0.000042 34O 2py 0.028516 -0.068638 0.000825 -0.095666 -0.042270 -0.077383 34O 3pz 0.175556 0.096539 -0.079705 0.185883 -0.084744 0.195273 34O 3px 0.023803 0.140464 0.090601 -0.041866 0.076447 -0.196282 34O 3py 0.111664 -0.123622 0.106510 0.164913 0.049590 0.200003 34O 1dz2 0.000360 -0.000802 0.000022 0.000007 0.000367 0.001151 34O 1dxz 0.001322 -0.001622 0.001078 -0.002219 0.000257 -0.001979 34O 1dyz -0.001204 0.000116 -0.000868 0.001050 0.001426 0.001256 34O 1dx2y2 -0.001885 0.000602 -0.001862 0.001159 0.000816 0.001182 34O 1dxy -0.003729 0.002625 -0.001913 -0.001301 0.000343 0.001867 34O 2dz2 -0.005707 -0.004624 0.002468 -0.002269 -0.001730 0.006186 34O 2dxz 0.016303 -0.012393 0.013829 -0.001131 -0.007766 -0.003285 34O 2dyz -0.004190 0.011653 0.001772 0.000684 0.001419 0.003006 34O 2dx2y2 -0.008346 0.004111 -0.008541 0.012978 0.008978 -0.021716 34O 2dxy -0.012445 0.009522 -0.013110 0.007396 0.005809 0.023529 34O 1f0 -0.000467 0.000331 -0.000300 -0.000745 -0.000152 0.000710 34O 1f+1 0.000023 0.000132 0.000046 -0.000015 -0.000477 0.000877 34O 1f-1 0.000448 -0.000198 0.000644 -0.000220 -0.000356 -0.000295 34O 1f+2 0.001163 -0.000965 0.001294 -0.000349 -0.001127 -0.000305 34O 1f-2 -0.000213 0.000065 0.000340 -0.000257 -0.000174 0.000658 34O 1f+3 0.000247 0.000370 0.000542 -0.001047 -0.000441 0.000258 34O 1f-3 0.000717 -0.000314 0.001349 -0.001101 -0.000356 -0.001245 35O 1s -0.003073 -0.001993 0.003000 -0.002656 0.001118 0.000149 35O 2s -0.006273 -0.004544 0.007054 -0.005909 0.001985 0.000567 35O 3s -0.010763 0.003609 -0.005008 -0.001030 0.011618 -0.005852 35O 4s 0.118538 0.063820 -0.063880 0.081865 -0.094443 0.006888 35O 5s -0.009239 -0.453119 -0.286112 -0.301202 -0.194651 0.177654 35O 1pz -0.074284 -0.031912 0.064273 -0.025765 0.015693 -0.015248 35O 1px 0.002417 0.038362 -0.038921 0.057824 -0.000960 -0.063356 35O 1py 0.003615 0.022900 0.040985 0.077759 0.004451 0.017863 35O 2pz -0.109540 -0.045736 0.069097 -0.045471 0.016651 -0.021322 35O 2px 0.006548 0.011021 -0.061706 0.058875 -0.026855 -0.053260 35O 2py 0.031186 -0.005525 0.042645 0.108433 -0.012422 0.061769 35O 3pz 0.178684 0.118468 -0.012638 0.042189 -0.098317 0.054084 35O 3px 0.224867 -0.082016 -0.062529 0.060711 -0.111412 0.117399 35O 3py -0.089148 0.122204 -0.097581 -0.202445 -0.055818 -0.174743 35O 1dz2 0.002474 0.000193 -0.002040 0.000965 -0.001381 0.001047 35O 1dxz 0.000493 0.001007 -0.003218 -0.002427 0.001326 0.000526 35O 1dyz 0.000432 0.001992 -0.002999 -0.001443 -0.000444 -0.000174 35O 1dx2y2 -0.002925 -0.002708 0.000990 -0.001553 -0.000045 -0.002265 35O 1dxy -0.000032 0.002541 0.000014 -0.000546 0.000909 0.000245 35O 2dz2 -0.006587 0.014281 0.003051 0.002899 0.002378 -0.013838 35O 2dxz 0.009372 0.008371 -0.018731 0.003228 -0.006931 0.003510 35O 2dyz 0.012951 -0.005909 -0.011987 -0.000149 -0.000242 0.001768 35O 2dx2y2 0.004222 -0.018285 0.010680 -0.005771 -0.005638 0.016281 35O 2dxy 0.008121 -0.010022 -0.010598 -0.013684 -0.003478 0.009598 35O 1f0 -0.000889 -0.000735 0.000702 -0.000463 0.000448 -0.000294 35O 1f+1 -0.000219 0.001031 -0.000273 -0.000125 -0.000028 -0.000950 35O 1f-1 -0.000417 0.000244 0.000648 -0.000679 0.000699 0.000273 35O 1f+2 0.000809 0.000477 -0.000451 0.000698 -0.000543 0.000057 35O 1f-2 0.000787 0.000476 -0.001127 -0.000466 -0.000104 -0.000060 35O 1f+3 -0.000398 0.000533 -0.001788 -0.000112 0.000211 -0.000951 35O 1f-3 -0.000935 0.000748 0.000409 0.000107 -0.000123 -0.001124 192 193 194 195 196 197 0.43616 0.44004 0.44357 0.44594 0.44731 0.45586 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s 0.000537 -0.000927 0.001274 0.000735 0.000448 0.000561 0Rh 2s -0.001807 0.002364 -0.005449 -0.003084 -0.001495 -0.001443 0Rh 3s 0.002008 -0.003938 0.004051 0.002372 0.001685 0.002374 0Rh 4s 0.007948 -0.010008 0.024560 0.013869 0.006576 0.006116 0Rh 5s -0.004705 -0.001607 -0.025461 -0.013792 -0.003764 0.000899 0Rh 6s -0.021723 0.057823 -0.024579 -0.016578 -0.018138 -0.035156 0Rh 7s 0.025152 -0.288816 0.013268 0.060883 0.050970 0.197687 0Rh 8s 0.052653 -0.415665 -0.133668 -0.160118 -0.104198 0.206937 0Rh 1pz 0.005455 -0.005252 0.000022 -0.000372 -0.001636 -0.002195 0Rh 1px 0.000679 -0.002275 0.000441 -0.000368 -0.000162 -0.000970 0Rh 1py 0.005496 0.005727 -0.011942 -0.007139 -0.002258 -0.001664 0Rh 2pz -0.019259 0.018400 0.000093 0.001459 0.005325 0.007570 0Rh 2px -0.002524 0.008186 -0.002230 0.000866 0.000480 0.003171 0Rh 2py -0.019006 -0.019772 0.041509 0.024853 0.007867 0.005724 0Rh 3pz 0.026014 -0.022233 -0.003427 -0.004664 0.001170 -0.006901 0Rh 3px 0.005686 -0.013979 0.015535 0.006926 0.001072 0.000559 0Rh 3py 0.018401 0.018412 -0.043713 -0.026940 -0.008686 -0.004936 0Rh 4pz -0.007596 -0.002916 0.013189 0.010358 -0.030018 -0.009496 0Rh 4px -0.009275 0.014834 -0.048705 -0.030868 -0.006588 -0.018169 0Rh 4py 0.019991 0.024078 -0.032421 -0.016238 -0.004335 -0.008166 0Rh 5pz 0.079526 -0.049013 -0.029488 -0.019181 0.053890 -0.001092 0Rh 5px 0.025656 -0.058950 0.102032 0.060091 0.016028 0.035996 0Rh 5py 0.014466 0.007425 -0.050617 -0.037756 -0.011458 -0.003068 0Rh 6pz -1.177833 0.537366 0.194004 0.044950 -0.742142 -0.123215 0Rh 6px -0.255943 0.810226 -0.556557 -0.325159 -0.248876 -0.592980 0Rh 6py -0.132180 -0.178511 0.783536 0.483249 -0.040598 0.198551 0Rh 1dz2 0.025552 -0.018720 -0.003211 -0.001995 0.008181 0.004226 0Rh 1dxz -0.016279 0.017146 -0.000952 0.001022 -0.010079 -0.004932 0Rh 1dyz -0.001054 0.004940 0.001523 -0.002778 -0.003620 0.000202 0Rh 1dx2y2 0.001561 0.003191 -0.001815 -0.001621 -0.004966 0.002420 0Rh 1dxy 0.000320 0.001432 0.004825 0.001305 0.005766 -0.006142 0Rh 2dz2 -0.001144 0.001055 -0.000082 0.000742 -0.000049 -0.000100 0Rh 2dxz 0.001711 -0.001607 -0.000010 -0.000489 0.000497 0.000361 0Rh 2dyz -0.000755 -0.000359 0.000390 -0.000021 0.000209 -0.000221 0Rh 2dx2y2 -0.000227 -0.000517 0.000615 0.000513 0.000119 -0.000065 0Rh 2dxy 0.000092 0.000377 -0.001736 -0.000823 -0.000574 0.000537 0Rh 3dz2 -0.042817 0.030505 0.006373 0.000626 -0.015086 -0.007479 0Rh 3dxz 0.023277 -0.025321 0.001793 0.000123 0.016781 0.007729 0Rh 3dyz 0.005084 -0.007701 -0.004317 0.005067 0.005855 0.000535 0Rh 3dx2y2 -0.001941 -0.003841 0.000872 0.000931 0.008812 -0.004225 0Rh 3dxy -0.000954 -0.004228 -0.001735 0.000934 -0.008400 0.009268 0Rh 4dz2 -0.045233 0.036153 0.001906 0.012868 -0.009536 -0.006450 0Rh 4dxz 0.041287 -0.041316 0.001344 -0.008123 0.017964 0.010490 0Rh 4dyz -0.007539 -0.011401 0.001018 0.006757 0.008042 -0.003256 0Rh 4dx2y2 -0.005921 -0.010166 0.010314 0.008826 0.006862 -0.004236 0Rh 4dxy 0.000669 0.003300 -0.029953 -0.011476 -0.014596 0.014733 0Rh 5dz2 -0.067171 0.034800 0.036251 -0.051446 -0.060534 -0.014864 0Rh 5dxz -0.008074 0.006778 -0.001749 0.030819 0.035867 0.003057 0Rh 5dyz 0.033435 0.016626 0.015840 -0.050685 -0.018945 0.016193 0Rh 5dx2y2 0.020847 0.011895 -0.022723 -0.026662 0.027728 0.003195 0Rh 5dxy -0.010205 -0.027642 0.100420 0.021967 0.005749 -0.010370 0Rh 1f0 0.000110 0.002475 -0.006035 -0.004624 -0.001566 -0.000784 0Rh 1f+1 0.001893 -0.002096 -0.003026 0.000561 -0.001671 0.000089 0Rh 1f-1 0.000010 0.002287 -0.005057 -0.005134 -0.003679 -0.003599 0Rh 1f+2 0.000260 0.002214 -0.003800 -0.003035 0.001977 0.000800 0Rh 1f-2 0.007147 0.001275 -0.004511 -0.001081 0.001647 -0.001280 0Rh 1f+3 -0.004499 -0.001670 0.000807 -0.000468 -0.001540 -0.000832 0Rh 1f-3 -0.001075 0.002421 0.007696 0.002639 -0.002953 0.001478 1Rh 1s -0.000440 0.000874 0.001248 0.000721 -0.000638 -0.000472 1Rh 2s 0.001407 -0.002133 -0.005340 -0.003032 0.002297 0.001257 1Rh 3s -0.001693 0.003772 0.003966 0.002322 -0.002294 -0.001973 1Rh 4s -0.006153 0.008967 0.024071 0.013638 -0.010186 -0.005360 1Rh 5s 0.002957 0.002697 -0.024966 -0.013615 0.007426 -0.000169 1Rh 6s 0.019440 -0.056778 -0.024116 -0.016126 0.022106 0.028217 1Rh 7s -0.023462 0.294581 0.013215 0.059736 -0.061493 -0.175852 1Rh 8s -0.061358 0.407764 -0.106014 -0.150090 0.135184 -0.203750 1Rh 1pz 0.005320 -0.005362 -0.000817 -0.000071 -0.001542 -0.002156 1Rh 1px 0.000570 -0.002176 -0.000633 0.000257 -0.000192 -0.001240 1Rh 1py 0.006624 0.005081 0.011433 0.006901 -0.003861 -0.000859 1Rh 2pz -0.018809 0.018793 0.002647 0.000081 0.005025 0.007415 1Rh 2px -0.002088 0.007811 0.002892 -0.000478 0.000479 0.004138 1Rh 2py -0.022934 -0.017522 -0.039740 -0.024025 0.013439 0.002932 1Rh 3pz 0.025922 -0.022872 0.000923 0.003001 0.000945 -0.006416 1Rh 3px 0.004163 -0.012976 -0.016140 -0.007344 0.003070 -0.001047 1Rh 3py 0.022658 0.015924 0.041826 0.026060 -0.014543 -0.002150 1Rh 4pz -0.009419 -0.002352 -0.016679 -0.011350 -0.027705 -0.010603 1Rh 4px -0.005502 0.012782 0.047832 0.030600 -0.014219 -0.016616 1Rh 4py 0.022528 0.022808 0.031207 0.015643 -0.008772 -0.005403 1Rh 5pz 0.081961 -0.051266 0.029036 0.016747 0.050147 0.001453 1Rh 5px 0.016645 -0.053678 -0.101882 -0.060584 0.030899 0.029578 1Rh 5py 0.020838 0.003479 0.048192 0.036713 -0.017763 -0.000652 1Rh 6pz -1.188656 0.556215 -0.187734 -0.011799 -0.724553 -0.134047 1Rh 6px -0.200650 0.779792 0.557581 0.334220 -0.325280 -0.552039 1Rh 6py -0.230559 -0.123344 -0.772619 -0.482434 0.052163 0.152636 1Rh 1dz2 -0.025604 0.018954 -0.002363 -0.000936 -0.007509 -0.004375 1Rh 1dxz 0.016162 -0.017036 -0.000709 0.000554 0.010171 0.004484 1Rh 1dyz 0.000968 -0.004890 0.001633 -0.002863 0.003426 -0.000342 1Rh 1dx2y2 -0.001802 -0.003036 -0.000957 -0.001373 0.005367 -0.002413 1Rh 1dxy 0.000086 -0.001641 0.003905 0.001058 -0.006185 0.006441 1Rh 2dz2 0.001113 -0.001074 -0.000177 0.000661 -0.000011 0.000107 1Rh 2dxz -0.001712 0.001626 0.000056 -0.000416 -0.000491 -0.000362 1Rh 2dyz 0.000791 0.000327 0.000354 -0.000040 -0.000230 0.000223 1Rh 2dx2y2 0.000301 0.000482 0.000594 0.000525 -0.000238 0.000135 1Rh 2dxy -0.000220 -0.000304 -0.001624 -0.000803 0.000800 -0.000638 1Rh 3dz2 0.043044 -0.030862 0.005190 -0.001013 0.014076 0.007735 1Rh 3dxz -0.023054 0.025038 0.001067 0.000695 -0.016975 -0.006889 1Rh 3dyz -0.005067 0.007749 -0.004371 0.005306 -0.005410 -0.000278 1Rh 3dx2y2 0.002088 0.003696 -0.000645 0.000418 -0.009075 0.003927 1Rh 3dxy 0.000729 0.004316 -0.000479 0.001312 0.008237 -0.009408 1Rh 4dz2 0.044865 -0.036706 -0.000435 0.010505 0.008021 0.006600 1Rh 4dxz -0.041173 0.041449 0.001922 -0.006627 -0.018009 -0.010039 1Rh 4dyz 0.008075 0.010844 0.000375 0.006608 -0.008010 0.003384 1Rh 4dx2y2 0.007209 0.009485 0.009033 0.008679 -0.008895 0.005212 1Rh 4dxy -0.002865 -0.002113 -0.027361 -0.010914 0.018207 -0.016434 1Rh 5dz2 0.069693 -0.034401 0.039690 -0.050995 0.059604 0.017995 1Rh 5dxz 0.008878 -0.008672 -0.007610 0.028848 -0.036120 0.001507 1Rh 5dyz -0.034125 -0.013700 0.018701 -0.048807 0.019070 -0.013835 1Rh 5dx2y2 -0.024383 -0.009932 -0.026185 -0.028552 -0.023224 -0.010193 1Rh 5dxy 0.015701 0.025160 0.097864 0.021903 -0.019054 0.014350 1Rh 1f0 0.000786 0.002130 0.005879 0.004593 -0.002479 -0.000437 1Rh 1f+1 0.002096 -0.002096 0.002646 -0.000769 -0.001988 0.000067 1Rh 1f-1 0.000566 0.001836 0.004418 0.004951 -0.004342 -0.003197 1Rh 1f+2 0.000749 0.001955 0.004214 0.003161 0.001377 0.000975 1Rh 1f-2 0.007547 0.001072 0.004446 0.000999 0.001122 -0.000937 1Rh 1f+3 -0.004586 -0.001620 -0.000874 0.000472 -0.001506 -0.000935 1Rh 1f-3 -0.001685 0.002797 -0.007916 -0.002637 -0.001968 0.000867 2C 1s 0.021347 -0.006036 -0.012521 0.007708 -0.028595 0.001414 2C 2s 0.044672 -0.012710 -0.026450 0.016278 -0.060348 0.003003 2C 3s 0.080887 -0.032450 -0.015661 0.020438 -0.043391 0.008549 2C 4s -1.367352 0.415039 0.548988 -0.408315 1.402626 -0.122350 2C 5s 1.982284 0.872034 -3.778294 0.061548 -7.798623 0.351933 2C 1pz 0.017160 0.014304 0.023415 0.012111 -0.058435 -0.073763 2C 1px 0.014153 0.000119 0.052039 -0.014131 -0.014456 -0.049270 2C 1py -0.020870 -0.017059 -0.133992 0.050685 -0.022134 0.129418 2C 2pz 0.021947 0.080866 0.045209 0.046068 -0.327313 -0.285401 2C 2px 0.099411 -0.022167 0.201019 -0.045061 -0.076184 -0.203281 2C 2py -0.121399 -0.016738 -0.567518 0.169734 -0.159425 0.523964 2C 3pz -0.317165 0.146096 -1.094079 -0.094536 -1.253622 0.305699 2C 3px -0.104263 -0.093638 -0.645802 -0.087708 -0.137996 0.356611 2C 3py -0.052646 0.876805 0.176720 -0.513992 -0.940331 -0.827474 2C 1dz2 -0.002577 0.003120 0.003929 -0.001941 0.000781 -0.002955 2C 1dxz 0.002079 0.002567 0.004946 -0.003050 -0.001248 -0.005447 2C 1dyz -0.004180 0.000282 -0.000345 -0.000820 0.002616 0.001908 2C 1dx2y2 0.000814 0.001575 0.002673 -0.000109 -0.000876 -0.002913 2C 1dxy -0.002766 0.000551 -0.004254 -0.000045 0.000323 0.003500 2C 2dz2 0.005723 0.059682 -0.042216 -0.027121 -0.023217 0.048919 2C 2dxz -0.001910 0.035907 -0.039713 0.028703 -0.032828 0.043372 2C 2dyz 0.009967 -0.037335 -0.008228 0.015452 -0.059473 -0.028934 2C 2dx2y2 0.019679 0.030520 -0.008552 0.000047 0.010336 0.036595 2C 2dxy 0.027541 -0.007408 0.015948 0.004199 -0.033032 -0.019357 2C 1f0 -0.004349 0.001656 -0.006084 -0.000836 0.006387 0.009030 2C 1f+1 0.000491 -0.000978 0.006147 -0.000498 -0.000751 -0.007514 2C 1f-1 -0.005983 0.002679 0.001165 -0.000964 0.002204 -0.001898 2C 1f+2 0.010503 -0.003525 -0.007987 0.006241 -0.009451 0.004659 2C 1f-2 -0.012470 0.005403 -0.000689 -0.002102 0.010304 0.004877 2C 1f+3 0.010431 -0.003447 -0.011762 0.006247 -0.011310 0.010005 2C 1f-3 0.003060 -0.001973 0.004467 -0.001498 -0.002429 -0.005283 3C 1s -0.007283 -0.030424 0.003905 -0.009172 -0.001685 -0.016865 3C 2s -0.015150 -0.063611 0.008231 -0.019169 -0.003371 -0.036048 3C 3s -0.009197 -0.092482 -0.000374 -0.027985 0.005381 -0.020408 3C 4s 0.310342 1.787712 -0.119101 0.484357 0.051625 0.798548 3C 5s -3.100533 -5.809880 -0.433653 -1.860803 -2.319072 -3.898245 3C 1pz -0.047724 -0.077019 -0.007250 -0.161252 -0.046946 0.102890 3C 1px -0.032205 -0.028308 -0.000703 -0.065004 -0.020350 0.019600 3C 1py 0.019794 0.013875 -0.019323 -0.045158 -0.016974 0.082437 3C 2pz -0.163180 -0.312485 -0.041675 -0.622767 -0.229314 0.379165 3C 2px -0.163690 -0.120684 0.008308 -0.254186 -0.103790 0.049516 3C 2py 0.108616 0.047623 -0.110425 -0.192249 -0.031457 0.392056 3C 3pz 0.122849 0.057238 -0.054530 0.777312 -0.284991 -1.251932 3C 3px -0.004264 -0.237173 0.047934 0.252011 -0.226623 -0.344122 3C 3py 1.038213 0.597379 0.089082 0.748531 0.527254 0.183349 3C 1dz2 -0.002252 -0.000740 0.000479 -0.000781 0.000194 0.000110 3C 1dxz -0.002018 -0.000098 0.000701 -0.003477 -0.001027 0.002824 3C 1dyz 0.001179 -0.002728 0.002220 0.003171 0.001849 -0.005201 3C 1dx2y2 -0.003700 -0.003369 0.000755 -0.007567 -0.000972 0.004313 3C 1dxy 0.000112 -0.004008 -0.000738 -0.004165 -0.000051 0.002430 3C 2dz2 -0.026318 0.027704 0.027170 0.007184 0.046404 0.014747 3C 2dxz -0.030700 0.014849 0.008121 0.025454 0.027226 -0.027556 3C 2dyz 0.031037 0.017254 -0.046471 -0.033600 -0.032502 0.046976 3C 2dx2y2 -0.026871 0.020600 -0.011952 0.038527 0.066708 0.007450 3C 2dxy 0.020097 0.028952 0.018370 0.030148 0.013065 0.015451 3C 1f0 0.002176 0.010530 0.000184 0.013499 0.006336 -0.004584 3C 1f+1 0.000035 0.005020 0.001620 0.004908 0.001805 -0.001338 3C 1f-1 -0.000711 0.005791 -0.002983 -0.007693 -0.005411 0.010223 3C 1f+2 -0.004413 -0.019567 0.000192 -0.007428 0.000383 -0.008135 3C 1f-2 -0.001281 -0.014246 0.000501 -0.005799 -0.000084 -0.004303 3C 1f+3 0.000363 0.005111 0.001587 0.009023 0.004164 -0.006603 3C 1f-3 0.001389 0.000285 -0.003788 -0.000033 0.000302 0.002612 4C 1s -0.011540 0.000877 0.014145 -0.005481 0.021425 0.000616 4C 2s -0.024291 0.001711 0.030315 -0.011972 0.045921 0.001104 4C 3s -0.021856 0.046936 -0.034443 0.022816 -0.074647 -0.017239 4C 4s 0.562693 -0.345169 -0.303443 0.020636 -0.408139 0.088953 4C 5s -1.468191 -0.915942 3.373887 -0.049729 5.527196 0.201669 4C 1pz -0.041846 -0.011325 -0.035812 0.058138 -0.031932 -0.010413 4C 1px 0.053490 -0.045279 -0.024848 0.006303 -0.010200 -0.010796 4C 1py 0.045915 0.053076 -0.014050 0.000462 -0.005127 0.020819 4C 2pz -0.054880 -0.134752 -0.023432 0.050839 0.013569 -0.027831 4C 2px 0.224679 -0.292455 0.101978 0.169081 0.186148 0.064095 4C 2py 0.149901 0.097005 0.008736 0.008297 0.097284 0.155400 4C 3pz -1.152943 1.484761 -1.324743 -1.032713 -2.057373 0.178215 4C 3px -0.576020 0.704686 0.019110 0.139994 -0.417798 0.048047 4C 3py -1.083814 0.070754 -0.618782 -0.308601 -1.412104 -0.316467 4C 1dz2 -0.007882 0.003995 -0.010138 0.001169 -0.010043 0.002015 4C 1dxz -0.010676 0.003272 -0.004528 0.004677 -0.000188 0.004443 4C 1dyz -0.000708 0.003502 -0.003812 0.002241 -0.008531 -0.003173 4C 1dx2y2 0.007986 -0.009525 0.002027 -0.001604 0.006931 0.005784 4C 1dxy 0.004606 -0.004597 0.002066 -0.000549 0.003595 -0.000271 4C 2dz2 0.040902 -0.048501 -0.041475 -0.017990 0.058770 0.013037 4C 2dxz 0.082334 -0.061962 0.059379 0.089854 0.036501 0.003067 4C 2dyz 0.058552 -0.021098 0.117868 -0.046895 0.107673 0.001674 4C 2dx2y2 -0.022768 -0.074906 0.015841 0.018094 0.038196 0.021181 4C 2dxy -0.052852 -0.018289 -0.004797 0.023640 0.074520 0.067764 4C 1f0 -0.003494 0.000160 -0.000802 0.001164 -0.002290 -0.004357 4C 1f+1 -0.001557 0.005521 0.001097 0.001606 -0.005916 -0.003220 4C 1f-1 -0.004861 0.003661 0.000093 -0.002114 -0.002755 -0.002077 4C 1f+2 0.001550 -0.006407 0.001259 -0.002363 0.001778 -0.001943 4C 1f-2 -0.001265 -0.002867 0.001689 0.002942 0.001536 -0.001294 4C 1f+3 -0.005685 0.005148 -0.002805 -0.003792 -0.002526 0.000150 4C 1f-3 -0.004210 0.007686 -0.004227 -0.000333 -0.007889 -0.004608 5C 1s 0.008388 0.021960 -0.008505 0.010142 0.002922 0.010648 5C 2s 0.018004 0.046729 -0.018847 0.021629 0.006612 0.022646 5C 3s -0.056742 -0.022685 0.019514 -0.025112 -0.044779 -0.015534 5C 4s 0.042131 -0.667713 0.339520 -0.098803 0.172960 -0.431379 5C 5s 2.385830 4.354923 -0.090496 1.914086 1.569753 2.542620 5C 1pz 0.020938 -0.008202 -0.008414 -0.011258 -0.065776 -0.018274 5C 1px -0.078439 -0.009933 0.024107 -0.021721 -0.042095 0.004028 5C 1py 0.037259 0.054372 -0.027264 0.073425 -0.036651 -0.040054 5C 2pz 0.275449 -0.060121 0.085793 0.010850 -0.105072 -0.035692 5C 2px -0.281382 0.068227 -0.259673 -0.109689 -0.176606 0.069952 5C 2py -0.065642 0.058704 -0.192628 0.010843 -0.216014 -0.058939 5C 3pz -1.322547 -0.033111 0.016261 0.064092 -0.144866 -0.525608 5C 3px -0.336617 0.242313 -0.665099 -0.112855 -0.165018 -0.495482 5C 3py 1.028203 0.106457 0.570332 0.059405 1.622650 1.112032 5C 1dz2 -0.001045 0.004004 0.001469 0.001632 -0.002808 -0.002674 5C 1dxz -0.006622 0.004743 -0.002405 -0.001021 -0.005185 -0.002625 5C 1dyz 0.002639 0.004296 -0.005654 0.000052 -0.000103 0.007321 5C 1dx2y2 0.011547 0.001909 -0.002526 0.011368 0.007025 -0.004125 5C 1dxy 0.005132 0.000470 0.002265 0.005807 0.005643 -0.001935 5C 2dz2 0.027552 -0.041332 0.034658 0.058668 -0.004623 -0.064623 5C 2dxz 0.053648 -0.067507 -0.100920 -0.045437 -0.016305 0.027919 5C 2dyz -0.134682 -0.025325 -0.008975 -0.088619 -0.047405 -0.033742 5C 2dx2y2 0.015254 0.038973 -0.051268 0.007224 -0.023091 -0.025004 5C 2dxy 0.033176 -0.035039 0.119242 -0.021320 -0.010585 -0.012871 5C 1f0 -0.007196 -0.000900 -0.004831 -0.002954 -0.003074 0.000565 5C 1f+1 0.000615 -0.003478 0.003781 -0.001607 -0.000502 -0.000294 5C 1f-1 -0.003323 0.000568 -0.000850 0.000025 0.004616 0.000004 5C 1f+2 0.005703 -0.004253 -0.000873 -0.001804 0.001149 0.000814 5C 1f-2 0.007032 -0.001376 0.008426 0.003952 0.007864 -0.001212 5C 1f+3 -0.003626 0.001081 0.003296 0.001847 -0.001922 -0.001546 5C 1f-3 0.004422 0.000622 0.000513 0.000072 0.003501 0.000145 6C 1s -0.008670 -0.021982 -0.009375 0.009563 -0.002310 -0.011980 6C 2s -0.018657 -0.046762 -0.020744 0.020367 -0.005210 -0.025599 6C 3s 0.057208 0.023607 0.024726 -0.023117 0.042491 0.017055 6C 4s -0.021617 0.655113 0.337905 -0.092669 -0.204481 0.487241 6C 5s -2.355488 -4.393122 -0.324534 1.784475 -1.620491 -2.744737 6C 1pz 0.020737 -0.008501 -0.002226 0.005892 -0.065476 -0.020003 6C 1px -0.078324 -0.010684 -0.026934 0.021328 -0.039806 0.000970 6C 1py 0.035987 0.055845 0.022930 -0.073681 -0.034709 -0.038100 6C 2pz 0.266079 -0.057044 -0.112509 -0.027394 -0.088988 -0.046605 6C 2px -0.260975 0.059445 0.246266 0.107758 -0.212598 0.078214 6C 2py -0.055032 0.052878 0.165780 -0.019078 -0.233205 -0.048519 6C 3pz -1.325535 -0.029288 0.040041 -0.019018 -0.151681 -0.559052 6C 3px -0.284494 0.215275 0.673164 0.125417 -0.243491 -0.498880 6C 3py 1.008482 0.122674 -0.414267 -0.014490 1.663993 1.178343 6C 1dz2 0.001158 -0.004013 0.001841 0.001660 0.002447 0.002561 6C 1dxz 0.006454 -0.004606 -0.001999 -0.000955 0.005390 0.002481 6C 1dyz -0.002896 -0.004243 -0.005753 0.000049 0.000845 -0.007415 6C 1dx2y2 -0.011304 -0.002253 -0.002869 0.011208 -0.007300 0.003743 6C 1dxy -0.004917 -0.000592 0.001744 0.005572 -0.006261 0.001991 6C 2dz2 -0.023885 0.040001 0.040016 0.061263 -0.005933 0.065427 6C 2dxz -0.060539 0.071640 -0.090978 -0.039900 0.029568 -0.032994 6C 2dyz 0.131359 0.028527 -0.007432 -0.089439 0.053544 0.029364 6C 2dx2y2 -0.017525 -0.037565 -0.048942 0.008034 0.027764 0.021236 6C 2dxy -0.027336 0.033929 0.120751 -0.019793 -0.003490 0.015531 6C 1f0 -0.006819 -0.001062 0.004598 0.002893 -0.003802 0.000754 6C 1f+1 0.000456 -0.003500 -0.004011 0.001462 -0.000042 -0.000371 6C 1f-1 -0.003194 0.000545 0.001522 0.000349 0.004403 0.000343 6C 1f+2 0.005820 -0.004355 0.000675 0.001538 0.001008 0.000749 6C 1f-2 0.006454 -0.001049 -0.007498 -0.003672 0.008952 -0.001805 6C 1f+3 -0.003804 0.001120 -0.003364 -0.001778 -0.001318 -0.001560 6C 1f-3 0.004427 0.000721 -0.000075 0.000030 0.003474 0.000100 7C 1s 0.012097 -0.000762 0.010417 -0.007259 -0.022790 -0.000130 7C 2s 0.025483 -0.001441 0.022341 -0.015774 -0.048846 -0.000052 7C 3s 0.019839 -0.047514 -0.025872 0.025648 0.077377 0.012700 7C 4s -0.571203 0.342618 -0.212136 0.073052 0.444710 -0.085836 7C 5s 1.621824 0.888670 2.547208 -0.385265 -5.917055 -0.066341 7C 1pz -0.041589 -0.010186 0.028901 -0.059318 -0.033340 -0.014643 7C 1px 0.052906 -0.045122 0.019605 -0.009562 -0.013717 -0.012342 7C 1py 0.046919 0.052677 0.011611 -0.001368 -0.005897 0.021578 7C 2pz -0.055525 -0.134830 0.018677 -0.054367 0.011981 -0.032083 7C 2px 0.212320 -0.281427 -0.092587 -0.171113 0.203301 0.047297 7C 2py 0.148187 0.097350 0.001415 -0.005404 0.100566 0.149579 7C 3pz -1.050394 1.425130 1.164768 1.013904 -2.264725 0.252254 7C 3px -0.586588 0.715351 -0.027395 -0.129955 -0.404372 0.054951 7C 3py -1.047195 0.061208 0.489285 0.275973 -1.518142 -0.280469 7C 1dz2 0.007460 -0.003789 -0.008943 0.001406 0.011271 -0.001923 7C 1dxz 0.010558 -0.003338 -0.004815 0.004220 0.000582 -0.003922 7C 1dyz 0.000579 -0.003515 -0.002804 0.002565 0.008833 0.002597 7C 1dx2y2 -0.007737 0.009557 0.001575 -0.001442 -0.006978 -0.005271 7C 1dxy -0.004664 0.004575 0.001924 -0.000506 -0.003908 0.000025 7C 2dz2 -0.041520 0.050599 -0.043747 -0.017107 -0.051351 -0.006099 7C 2dxz -0.077245 0.056922 0.061061 0.092554 -0.048413 0.003429 7C 2dyz -0.053436 0.020297 0.106552 -0.050239 -0.119902 0.004872 7C 2dx2y2 0.024788 0.074135 0.011219 0.016315 -0.040092 -0.018310 7C 2dxy 0.053136 0.017994 -0.018240 0.018056 -0.073842 -0.059354 7C 1f0 -0.003360 0.000144 0.000629 -0.001192 -0.002299 -0.004075 7C 1f+1 -0.001554 0.005638 -0.001756 -0.001765 -0.005660 -0.002907 7C 1f-1 -0.004800 0.003558 -0.000079 0.002183 -0.002854 -0.001660 7C 1f+2 0.001500 -0.006471 -0.001314 0.002221 0.001797 -0.001947 7C 1f-2 -0.001339 -0.002733 -0.001436 -0.002851 0.001844 -0.001333 7C 1f+3 -0.005408 0.004893 0.002876 0.003931 -0.003064 0.000350 7C 1f-3 -0.004021 0.007563 0.003400 0.000173 -0.008362 -0.004150 8C 1s 0.007379 0.030681 0.004597 -0.008553 0.001401 0.017917 8C 2s 0.015355 0.064156 0.009672 -0.017883 0.002750 0.038173 8C 3s 0.008562 0.093168 0.000886 -0.025929 -0.004052 0.024879 8C 4s -0.311047 -1.800646 -0.158040 0.445426 -0.049186 -0.874208 8C 5s 3.062849 5.872366 -0.145360 -1.698896 2.399511 4.254603 8C 1pz -0.043632 -0.080341 0.005257 0.157379 -0.058534 0.096413 8C 1px -0.029261 -0.030097 -0.000902 0.063573 -0.023459 0.022078 8C 1py 0.021621 0.013563 0.019070 0.044295 -0.023097 0.081586 8C 2pz -0.147741 -0.325347 0.027531 0.604541 -0.273762 0.351829 8C 2px -0.152869 -0.127662 -0.016950 0.248246 -0.113761 0.059690 8C 2py 0.119366 0.045003 0.110601 0.188029 -0.061458 0.388088 8C 3pz 0.110002 0.059996 -0.019523 -0.788814 -0.215798 -1.225853 8C 3px -0.029721 -0.223993 -0.087591 -0.269160 -0.206436 -0.378668 8C 3py 1.014853 0.611185 -0.070560 -0.742446 0.584020 0.236601 8C 1dz2 0.002282 0.000719 0.000328 -0.000860 -0.000127 -0.000010 8C 1dxz 0.001926 0.000192 0.000638 -0.003572 0.001222 -0.002891 8C 1dyz -0.001007 0.002678 0.002300 0.003160 -0.002403 0.005112 8C 1dx2y2 0.003479 0.003524 0.000623 -0.007471 0.001390 -0.004054 8C 1dxy -0.000215 0.004120 -0.000660 -0.004065 0.000437 -0.002377 8C 2dz2 0.027353 -0.028816 0.018980 0.002916 -0.048720 -0.017473 8C 2dxz 0.031678 -0.015321 0.002470 0.022418 -0.029418 0.028581 8C 2dyz -0.034502 -0.015320 -0.041389 -0.030246 0.039475 -0.046258 8C 2dx2y2 0.026239 -0.020577 -0.021358 0.032877 -0.065623 -0.008335 8C 2dxy -0.018253 -0.030868 0.016769 0.029916 -0.016824 -0.017050 8C 1f0 0.001890 0.010890 0.000501 -0.012896 0.007071 -0.003919 8C 1f+1 -0.000156 0.004727 -0.001391 -0.004368 0.002194 -0.000907 8C 1f-1 -0.000343 0.005515 0.002674 0.007614 -0.006385 0.010256 8C 1f+2 -0.004219 -0.019788 -0.000455 0.007131 0.000087 -0.008529 8C 1f-2 -0.001263 -0.014604 -0.000836 0.005382 -0.000175 -0.005106 8C 1f+3 -0.000024 0.005185 -0.001168 -0.008581 0.004875 -0.006504 8C 1f-3 0.001511 0.000133 0.003767 -0.000111 -0.000123 0.002136 9C 1s -0.021537 0.005638 -0.007765 0.010140 0.029537 -0.002224 9C 2s -0.045102 0.011896 -0.016472 0.021423 0.062328 -0.004827 9C 3s -0.079611 0.030617 -0.004581 0.025822 0.044042 -0.005748 9C 4s 1.363782 -0.386820 0.292444 -0.538348 -1.440532 0.131129 9C 5s -2.109968 -0.886096 -2.681672 0.505654 8.236352 -0.460409 9C 1pz 0.017427 0.015851 -0.031859 -0.014931 -0.053066 -0.065729 9C 1px 0.012833 0.001481 -0.053083 0.013791 -0.008300 -0.044406 9C 1py -0.018716 -0.018505 0.127507 -0.052084 -0.037840 0.115650 9C 2pz 0.025961 0.086091 -0.085406 -0.060679 -0.311466 -0.244209 9C 2px 0.094652 -0.016515 -0.208921 0.041034 -0.051766 -0.182246 9C 2py -0.109054 -0.024513 0.537717 -0.177064 -0.228364 0.476669 9C 3pz -0.272428 0.121147 0.935540 0.035100 -1.397642 0.301317 9C 3px -0.065531 -0.117080 0.607632 0.077722 -0.224208 0.323722 9C 3py -0.024297 0.869400 -0.241079 0.497670 -0.930635 -0.691294 9C 1dz2 0.002599 -0.003116 0.003458 -0.002168 -0.001202 0.002567 9C 1dxz -0.001994 -0.002597 0.004964 -0.002993 0.000749 0.004876 9C 1dyz 0.004134 -0.000248 -0.000754 -0.001139 -0.002474 -0.001624 9C 1dx2y2 -0.000827 -0.001663 0.002896 -0.000116 0.000456 0.002677 9C 1dxy 0.002686 -0.000429 -0.004344 -0.000145 0.000301 -0.003048 9C 2dz2 -0.008571 -0.058034 -0.041113 -0.027594 0.029210 -0.050551 9C 2dxz 0.002293 -0.035942 -0.037211 0.029660 0.035904 -0.041582 9C 2dyz -0.010359 0.035784 -0.001257 0.020041 0.059902 0.022872 9C 2dx2y2 -0.019056 -0.030632 -0.010672 -0.000468 -0.009661 -0.033486 9C 2dxy -0.026834 0.006198 0.021166 0.007520 0.030770 0.016297 9C 1f0 -0.004194 0.001404 0.007211 0.001313 0.005429 0.008274 9C 1f+1 0.000270 -0.000791 -0.005982 0.000551 0.000180 -0.006644 9C 1f-1 -0.005713 0.002502 -0.000603 0.001277 0.002183 -0.001667 9C 1f+2 0.010940 -0.003536 0.005902 -0.007370 -0.010381 0.004147 9C 1f-2 -0.012205 0.005028 0.002660 0.003032 0.009748 0.004112 9C 1f+3 0.010265 -0.003227 0.009746 -0.007315 -0.012253 0.009634 9C 1f-3 0.003414 -0.001986 -0.004387 0.001009 -0.002410 -0.004254 10H 1s 0.008332 -0.007439 -0.030778 0.017863 -0.032818 0.008780 10H 2s 0.113500 -0.067445 -0.348147 0.256288 -0.341942 0.158814 10H 3s -0.562069 0.189351 0.776635 -0.376887 0.945933 -0.513953 10H 1pz 0.008721 -0.000858 -0.002455 0.006995 -0.012423 0.000226 10H 1px -0.008083 0.003158 0.016243 -0.009740 0.014661 -0.011091 10H 1py -0.002408 0.004962 -0.011595 0.002895 -0.004354 0.012727 11H 1s 0.033955 0.013168 0.023095 -0.003973 -0.044630 -0.045624 11H 2s 0.422651 -0.077607 0.449213 -0.026956 -0.403327 -0.701197 11H 3s -1.029804 -0.192762 -0.870768 0.068926 1.207967 1.285572 11H 1pz 0.018175 -0.021554 0.012711 0.007619 -0.009055 -0.021654 11H 1px 0.017496 -0.008220 0.013271 -0.000495 -0.012452 -0.019139 11H 1py -0.013913 -0.006528 -0.014603 0.004901 0.012945 0.017074 12H 1s 0.008408 -0.017747 -0.054974 0.018873 -0.035840 0.032503 12H 2s 0.153175 -0.135705 -0.648794 0.204335 -0.284872 0.570034 12H 3s -0.769001 0.578362 1.274353 -0.512452 0.933976 -1.227752 12H 1pz 0.004022 0.008001 0.011010 -0.005417 0.006461 -0.004895 12H 1px 0.010429 -0.003281 -0.005906 0.001470 -0.005820 0.006359 12H 1py 0.014889 -0.000516 -0.027597 0.007186 -0.011614 0.031728 13H 1s -0.015670 -0.036709 0.004638 -0.026557 -0.004563 -0.005846 13H 2s -0.073517 -0.428744 0.006302 -0.313935 -0.040033 -0.032957 13H 3s 0.120150 1.446950 0.154549 0.644621 0.201121 0.085229 13H 1pz 0.004100 -0.023363 -0.005801 -0.018878 -0.006960 0.005195 13H 1px 0.004960 0.014099 0.000681 0.005225 0.000909 0.004888 13H 1py -0.004276 0.008583 0.000965 -0.001812 -0.002813 0.007319 14H 1s -0.034716 -0.046221 0.008464 -0.058946 -0.010165 0.011629 14H 2s -0.264937 -0.565396 0.044474 -0.781572 -0.237160 0.233276 14H 3s 0.884047 1.477494 0.024739 1.539276 0.474273 -0.358676 14H 1pz 0.000018 -0.019927 -0.005278 -0.023367 -0.013448 0.009288 14H 1px -0.006027 -0.029104 0.000451 -0.028227 -0.012166 0.005270 14H 1py -0.007043 -0.004683 0.001867 -0.011158 0.003273 0.005281 15H 1s 0.001693 -0.016212 0.013095 0.035595 0.003869 -0.066084 15H 2s -0.034922 -0.083592 0.206902 0.561569 0.271252 -0.794985 15H 3s -0.212888 0.651580 -0.179117 -1.103959 -0.239914 1.812614 15H 1pz -0.005776 0.006588 -0.004073 -0.023305 -0.004685 0.029872 15H 1px -0.003168 -0.004246 0.004353 -0.000864 0.005032 -0.002729 15H 1py 0.012452 0.007996 -0.010556 -0.015292 -0.020703 0.022467 16H 1s 0.019793 0.001347 -0.030233 0.003544 0.007486 -0.007436 16H 2s 0.365991 -0.087934 -0.417340 -0.066567 0.291451 -0.072922 16H 3s -0.496603 0.225681 0.326576 -0.037658 -0.272841 -0.000285 16H 1pz 0.028973 -0.013791 -0.017269 -0.003057 0.027927 0.000381 16H 1px -0.017525 0.007882 0.008428 0.007660 -0.014639 -0.000855 16H 1py 0.002821 0.003570 -0.009618 -0.006187 0.002512 -0.003253 17H 1s -0.025937 0.029848 -0.019005 -0.032187 -0.016204 -0.013387 17H 2s -0.419329 0.345021 -0.354846 -0.369829 -0.258295 -0.194537 17H 3s 0.440859 -0.431553 0.156866 0.336719 0.353736 0.179266 17H 1pz 0.015668 -0.005364 0.003059 0.007200 0.007335 0.002433 17H 1px 0.030752 -0.018688 0.017563 0.011510 0.023268 0.009984 17H 1py -0.004504 0.003981 -0.015646 -0.009233 -0.002937 -0.004891 18H 1s 0.024291 -0.028525 -0.019078 -0.032613 0.020272 0.011277 18H 2s 0.386179 -0.323408 -0.349021 -0.373453 0.320731 0.162842 18H 3s -0.422851 0.420603 0.145293 0.343341 -0.389842 -0.157177 18H 1pz 0.015502 -0.005188 -0.003379 -0.007485 0.008465 0.002165 18H 1px 0.028871 -0.017780 -0.016391 -0.011551 0.025946 0.008564 18H 1py -0.002445 0.002863 0.015227 0.008987 -0.004882 -0.003650 19H 1s -0.021843 -0.000016 -0.029249 0.004560 -0.004316 0.005575 19H 2s -0.394589 0.109464 -0.424450 -0.059617 -0.240212 0.047539 19H 3s 0.515641 -0.235560 0.321478 -0.052181 0.236020 0.012847 19H 1pz 0.029718 -0.014697 0.018569 0.002845 0.025523 0.001181 19H 1px -0.018227 0.008385 -0.009360 -0.007662 -0.013346 -0.001296 19H 1py 0.004053 0.002558 0.009924 0.006189 0.001704 -0.002301 20H 1s -0.000020 0.015664 0.014840 0.035706 -0.008780 0.065049 20H 2s 0.058268 0.073226 0.194425 0.544475 -0.338268 0.770978 20H 3s 0.174296 -0.641739 -0.216992 -1.105668 0.361314 -1.800844 20H 1pz -0.004885 0.006127 0.004680 0.023301 -0.007110 0.029566 20H 1px -0.003301 -0.004298 -0.003788 0.000960 0.005521 -0.002552 20H 1py 0.013214 0.007584 0.007991 0.013747 -0.022646 0.021800 21H 1s 0.033328 0.047692 0.008515 -0.058336 0.012718 -0.010379 21H 2s 0.244175 0.584638 0.065668 -0.761157 0.275826 -0.223629 21H 3s -0.841709 -1.514356 0.001928 1.507059 -0.565178 0.282338 21H 1pz 0.000828 -0.020799 0.003417 0.022129 -0.015220 0.008458 21H 1px -0.005226 -0.029624 -0.002167 0.026724 -0.013419 0.004666 21H 1py -0.006819 -0.004989 -0.000915 0.011597 0.002585 0.005020 22H 1s 0.015516 0.037107 0.005047 -0.025479 0.005595 0.008178 22H 2s 0.071035 0.434847 0.012630 -0.297774 0.056063 0.066722 22H 3s -0.115107 -1.452965 0.117717 0.587275 -0.256100 -0.205944 22H 1pz 0.004639 -0.023779 0.004528 0.017525 -0.008499 0.003515 22H 1px 0.004992 0.014237 -0.000698 -0.004971 0.001335 0.006240 22H 1py -0.004092 0.008705 -0.000916 0.001996 -0.003008 0.008044 23H 1s -0.009426 0.018222 -0.048833 0.021848 0.042222 -0.030159 23H 2s -0.163981 0.141241 -0.596646 0.231633 0.361643 -0.531828 23H 3s 0.765518 -0.573882 1.087612 -0.610081 -1.080821 1.114067 23H 1pz 0.003855 0.008217 -0.010061 0.005993 0.007845 -0.004068 23H 1px 0.010336 -0.003088 0.004359 -0.002011 -0.006315 0.005715 23H 1py 0.015392 -0.000678 0.025247 -0.008429 -0.014982 0.029593 24H 1s -0.033910 -0.014043 0.028724 -0.000975 0.040858 0.038806 24H 2s -0.415693 0.061804 0.504289 0.007229 0.336444 0.612808 24H 3s 1.001909 0.234251 -1.020943 -0.011654 -1.078343 -1.125365 24H 1pz 0.017477 -0.020602 -0.014928 -0.009080 -0.006747 -0.019819 24H 1px 0.017464 -0.007649 -0.015651 -0.000772 -0.010759 -0.017334 24H 1py -0.013352 -0.007021 0.015977 -0.004038 0.010825 0.014448 25H 1s -0.009424 0.007047 -0.024874 0.020126 0.035354 -0.008933 25H 2s -0.121947 0.064083 -0.283135 0.282937 0.367414 -0.153757 25H 3s 0.580403 -0.172753 0.585478 -0.448517 -1.018410 0.457562 25H 1pz 0.008547 -0.000715 0.000197 -0.008200 -0.012194 0.000324 25H 1px -0.008232 0.002933 -0.013433 0.010941 0.016051 -0.010427 25H 1py -0.002313 0.004720 0.010862 -0.002930 -0.005562 0.011475 26O 1s 0.006133 -0.000332 -0.003376 0.000854 -0.001106 -0.000499 26O 2s 0.013643 -0.000293 -0.007797 0.001246 -0.002447 -0.001356 26O 3s 0.000588 -0.010491 0.004741 0.013601 0.000191 0.006123 26O 4s -0.149677 0.023021 0.102301 -0.100560 0.085340 0.000351 26O 5s 0.426547 0.194158 -0.481125 0.176298 -0.813733 -0.236871 26O 1pz 0.033788 -0.027427 0.066700 0.009332 0.032959 0.006242 26O 1px 0.023662 0.023105 -0.051399 0.021861 -0.090107 -0.025064 26O 1py -0.020749 0.020109 -0.046842 -0.000267 -0.015881 0.017864 26O 2pz 0.038913 -0.022115 0.077182 -0.000365 0.053702 0.038703 26O 2px 0.044395 0.001185 -0.056896 0.030847 -0.073524 -0.002071 26O 2py -0.048117 -0.006901 -0.047555 0.012396 0.000759 0.029155 26O 3pz -0.043403 -0.078422 0.055195 0.162448 -0.017573 -0.136428 26O 3px 0.012435 -0.297627 0.318007 0.139310 0.310115 0.169733 26O 3py 0.172573 -0.063138 0.185729 0.115741 0.107879 0.030553 26O 1dz2 -0.002643 0.002440 -0.000456 -0.001557 -0.001381 -0.000862 26O 1dxz 0.000756 0.000691 -0.002488 -0.001312 -0.001404 -0.000618 26O 1dyz 0.002098 -0.000771 -0.000074 -0.001222 -0.000050 0.000169 26O 1dx2y2 0.001850 -0.000852 -0.000049 0.000410 0.001658 0.001600 26O 1dxy 0.005764 -0.005182 0.001006 0.001508 0.001079 0.000132 26O 2dz2 0.010178 -0.016020 0.010735 0.002352 0.021093 0.002245 26O 2dxz 0.013604 -0.003693 0.004409 -0.007082 0.004362 -0.003111 26O 2dyz 0.002895 0.002898 0.005633 0.006278 -0.008582 0.002107 26O 2dx2y2 -0.005072 0.016232 -0.014328 -0.002734 -0.029657 -0.013877 26O 2dxy -0.002606 0.007034 -0.017666 -0.000396 -0.023337 -0.001087 26O 1f0 0.001259 -0.000288 0.000461 -0.000718 0.000819 -0.000310 26O 1f+1 -0.001526 0.001741 -0.000836 -0.000298 -0.001396 -0.000642 26O 1f-1 -0.000882 0.000563 0.000277 -0.000013 0.000235 0.000084 26O 1f+2 -0.000182 0.000595 -0.000793 0.000462 -0.001128 0.000094 26O 1f-2 -0.000631 0.000027 -0.000056 0.000688 0.000175 0.000309 26O 1f+3 0.000063 0.000208 -0.000473 0.000470 -0.000945 -0.000628 26O 1f-3 -0.001431 0.001402 -0.001075 -0.000514 -0.001845 -0.000562 27O 1s -0.003590 -0.004568 0.003054 0.000668 -0.001080 0.001192 27O 2s -0.007563 -0.010247 0.007120 0.002359 -0.002007 0.002870 27O 3s -0.009043 0.001466 -0.008011 -0.019522 -0.007449 -0.003880 27O 4s 0.156544 0.146448 -0.070690 0.110221 0.078752 -0.010760 27O 5s -0.294914 -0.857016 0.599380 -0.528451 -0.150460 -0.155909 27O 1pz 0.058932 0.001901 -0.053658 -0.019782 0.007150 0.016976 27O 1px -0.071766 -0.056712 0.021867 -0.076388 -0.039294 -0.015219 27O 1py -0.000134 -0.031518 0.015932 -0.032225 -0.013431 0.008823 27O 2pz 0.077793 -0.001458 -0.073924 -0.026861 0.024608 0.023558 27O 2px -0.090999 -0.053999 -0.015611 -0.108456 -0.044215 -0.005776 27O 2py -0.011082 -0.048612 0.050924 -0.036235 0.000670 -0.005390 27O 3pz -0.048058 0.059358 0.147849 -0.022459 -0.042020 -0.051254 27O 3px -0.140312 0.295439 -0.277666 0.107052 -0.049012 -0.005478 27O 3py 0.047130 -0.047463 -0.094729 0.097542 -0.068709 0.074531 27O 1dz2 0.001189 0.001181 0.000041 0.000037 -0.000610 0.000236 27O 1dxz -0.003545 0.001041 0.003254 0.001161 0.000702 -0.000550 27O 1dyz 0.000455 0.000409 -0.000581 -0.001688 -0.000434 -0.000289 27O 1dx2y2 -0.003197 0.000152 -0.000921 -0.000952 -0.000573 -0.000281 27O 1dxy 0.000078 0.001934 -0.001067 -0.000001 0.000489 0.001367 27O 2dz2 0.014434 0.008356 -0.010016 0.008729 0.005664 0.006767 27O 2dxz 0.005922 -0.001102 -0.001426 0.000180 0.003614 0.008369 27O 2dyz -0.001401 0.008578 0.005436 0.009261 0.002499 -0.000371 27O 2dx2y2 -0.007218 -0.023387 0.024988 -0.011059 -0.005497 -0.000383 27O 2dxy -0.006956 0.008796 -0.007769 -0.006389 -0.001701 0.004533 27O 1f0 0.000841 -0.000832 -0.000198 0.000206 0.000488 0.000405 27O 1f+1 -0.000267 -0.000421 0.001346 -0.000019 0.000046 -0.000056 27O 1f-1 -0.000564 0.000320 -0.000193 -0.000201 -0.000565 -0.000280 27O 1f+2 -0.002097 -0.000101 0.000761 -0.000299 -0.000778 -0.000745 27O 1f-2 0.000188 -0.001276 -0.000044 -0.000319 0.000134 -0.000035 27O 1f+3 0.000582 -0.000623 0.001256 -0.000545 -0.000435 -0.000050 27O 1f-3 -0.000880 -0.000377 -0.000745 -0.001111 -0.000331 0.000647 28O 1s 0.000404 0.001781 0.001983 0.001446 -0.002107 -0.000460 28O 2s 0.001314 0.003890 0.005095 0.002758 -0.003624 -0.000898 28O 3s -0.008919 0.000808 -0.015646 0.007078 -0.019854 -0.001626 28O 4s 0.040804 -0.065803 0.037309 -0.104991 0.177564 0.021260 28O 5s 0.235109 0.069239 -0.181290 0.762380 -0.586870 -0.076239 28O 1pz -0.038787 0.009828 -0.039277 -0.006682 0.001691 -0.000512 28O 1px 0.014991 -0.035500 0.042844 -0.053140 0.081583 0.005337 28O 1py 0.041003 -0.018162 0.035838 -0.007983 0.034284 0.032307 28O 2pz -0.074830 0.030337 -0.070913 -0.044077 0.014988 0.009126 28O 2px 0.010788 -0.023102 0.063938 -0.049624 0.104270 0.006220 28O 2py 0.066397 -0.044743 0.043797 -0.021392 0.056885 0.055485 28O 3pz -0.014053 -0.119428 0.091210 -0.013459 -0.115555 -0.087655 28O 3px 0.288500 -0.175963 0.033796 0.313594 -0.029397 -0.001328 28O 3py -0.193611 0.141277 -0.136711 0.103939 -0.112001 -0.042161 28O 1dz2 0.001279 0.000245 0.002741 0.001199 -0.001739 -0.000947 28O 1dxz -0.000640 0.000051 0.000586 0.000682 0.002140 0.000211 28O 1dyz 0.000106 -0.001128 -0.000470 0.000198 0.000200 0.000197 28O 1dx2y2 -0.000762 0.000272 -0.001430 -0.001013 -0.000554 -0.000103 28O 1dxy 0.002202 0.000795 0.002933 -0.001044 0.001006 -0.000211 28O 2dz2 0.006321 -0.006476 0.006121 0.004622 0.008517 0.006203 28O 2dxz -0.001046 -0.008947 0.003839 -0.016464 0.011125 -0.001525 28O 2dyz 0.000344 0.003762 -0.003635 -0.003692 -0.004168 -0.000974 28O 2dx2y2 0.003730 -0.004458 -0.007632 0.018313 -0.012342 0.001333 28O 2dxy -0.002023 0.008796 -0.007679 -0.002871 -0.008287 -0.001032 28O 1f0 -0.000254 0.001010 0.000201 0.000557 -0.000977 -0.000422 28O 1f+1 0.001106 -0.000537 0.000861 0.000384 0.001258 0.000394 28O 1f-1 -0.000352 0.000032 -0.000002 -0.000009 0.000488 0.000213 28O 1f+2 0.000378 -0.000095 0.000291 -0.001101 0.000454 -0.000169 28O 1f-2 0.000747 -0.000430 0.000774 -0.000351 0.000775 0.000059 28O 1f+3 0.000551 -0.000441 0.000662 -0.000883 0.000956 0.000099 28O 1f-3 -0.000424 -0.000065 0.000422 -0.000154 0.000215 -0.000084 29O 1s 0.001138 0.006536 -0.012720 -0.007307 -0.000798 -0.005255 29O 2s 0.002665 0.014827 -0.028470 -0.016301 -0.001620 -0.012103 29O 3s -0.003105 -0.005139 0.002060 0.000526 -0.002473 0.007122 29O 4s -0.020771 -0.151720 0.292690 0.172169 0.044761 0.098200 29O 5s 0.037022 0.045282 0.065931 0.020865 -0.112181 0.057749 29O 1pz 0.050191 -0.043008 -0.029369 0.034476 0.006298 0.004813 29O 1px 0.010392 -0.041212 0.023581 0.032726 0.010574 0.021447 29O 1py -0.013463 0.015276 0.026341 0.008648 -0.024956 0.015049 29O 2pz 0.141343 -0.102932 -0.071009 0.073938 0.044267 0.011033 29O 2px 0.021614 -0.097225 0.069441 0.080532 0.025882 0.058498 29O 2py -0.039185 0.029970 0.059863 0.021576 -0.052347 0.031640 29O 3pz 0.132362 -0.010799 0.068934 -0.040474 0.220945 0.037345 29O 3px 0.168520 0.104806 -0.049479 -0.057398 0.052881 -0.088470 29O 3py 0.025812 0.059527 -0.438035 -0.236030 0.102556 -0.174539 29O 1dz2 0.001858 -0.000077 -0.002476 -0.000239 0.001949 -0.000543 29O 1dxz -0.002482 0.001396 -0.001726 -0.002130 -0.001610 -0.000709 29O 1dyz 0.005221 -0.002416 -0.000150 0.001570 0.004418 0.000786 29O 1dx2y2 -0.000450 0.000304 0.000835 0.000058 -0.000665 0.000262 29O 1dxy 0.002922 -0.001106 0.001430 0.001485 0.001537 0.000858 29O 2dz2 -0.019310 0.013896 -0.000672 -0.003316 -0.018552 -0.004049 29O 2dxz 0.026937 -0.014060 -0.002731 -0.000072 0.018819 0.003187 29O 2dyz -0.016272 0.005070 0.004209 0.000322 -0.013335 -0.002546 29O 2dx2y2 0.012063 -0.008952 0.002980 0.003308 0.009926 0.002158 29O 2dxy -0.005155 0.003298 -0.015313 -0.009613 -0.005282 -0.004336 29O 1f0 0.001107 -0.000164 -0.002181 -0.000892 0.000908 -0.000485 29O 1f+1 0.001623 -0.001270 0.000771 0.000758 0.001133 0.000512 29O 1f-1 0.001690 -0.000486 -0.002471 -0.001108 0.001509 -0.000382 29O 1f+2 -0.001319 0.000511 0.000937 0.000517 -0.001126 0.000075 29O 1f-2 -0.002608 0.001859 -0.001482 -0.001320 -0.001817 -0.000777 29O 1f+3 0.001221 -0.000983 0.000890 0.000637 0.000829 0.000396 29O 1f-3 0.001415 -0.000886 0.000636 0.000626 0.000750 0.000420 30O 1s 0.001670 -0.004989 -0.002514 -0.003303 0.000007 0.001003 30O 2s 0.003365 -0.010752 -0.006816 -0.007287 -0.000361 0.002662 30O 3s 0.008095 -0.007131 0.026209 -0.001491 0.007976 -0.007962 30O 4s -0.033885 0.179321 -0.039640 0.134324 -0.002417 0.002492 30O 5s -0.397681 -0.596197 -0.247260 -0.596683 -0.209568 -0.088852 30O 1pz -0.017521 0.003324 0.015973 -0.000579 -0.025470 -0.009045 30O 1px 0.061393 0.056791 0.017054 0.078379 0.027756 0.012110 30O 1py -0.044522 0.016666 -0.007802 -0.003358 -0.011939 -0.007971 30O 2pz -0.031308 0.024340 0.039068 0.005614 -0.020645 -0.013111 30O 2px 0.049351 0.086219 -0.008952 0.095908 0.009539 0.018746 30O 2py -0.108002 0.019257 -0.025811 -0.014515 -0.018556 -0.021264 30O 3pz 0.386699 -0.105767 0.318196 0.061619 0.101059 0.002105 30O 3px -0.324395 -0.183055 -0.315623 -0.350826 -0.112352 0.093818 30O 3py 0.040966 -0.069872 -0.411935 -0.198417 -0.154950 0.169715 30O 1dz2 -0.002206 -0.000247 -0.001613 -0.002920 -0.000507 0.001384 30O 1dxz -0.003307 0.002913 -0.003355 0.000774 -0.002945 -0.000237 30O 1dyz -0.002350 0.002244 -0.000339 -0.000281 -0.001965 0.001179 30O 1dx2y2 0.001022 0.000388 0.002664 0.000856 -0.000087 0.000655 30O 1dxy 0.002675 -0.001659 0.003281 0.001610 0.001832 -0.002286 30O 2dz2 0.016966 0.002699 -0.006886 0.006557 0.010275 0.001879 30O 2dxz 0.032285 0.002060 0.012047 0.015825 0.011788 -0.000514 30O 2dyz 0.003895 0.007108 0.003200 0.001432 0.008355 0.003140 30O 2dx2y2 -0.013426 -0.008427 -0.004187 -0.012234 -0.007146 -0.002152 30O 2dxy -0.010762 -0.005295 -0.022347 -0.014407 -0.011673 0.000681 30O 1f0 -0.001700 -0.000255 -0.001093 -0.001081 -0.001005 0.000009 30O 1f+1 0.000507 -0.000005 -0.000938 0.000248 0.000661 0.000313 30O 1f-1 0.000593 -0.000155 -0.000453 0.000656 0.000073 -0.000342 30O 1f+2 0.001103 -0.000208 -0.000424 0.000662 0.000624 -0.000087 30O 1f-2 0.001495 -0.000385 0.001415 0.000354 0.000682 -0.000303 30O 1f+3 0.000247 0.001017 -0.000766 0.000681 -0.000084 0.000165 30O 1f-3 0.001797 -0.000599 0.000584 0.000562 0.001399 0.000403 31O 1s -0.001987 0.005118 -0.002193 -0.003026 0.000365 -0.001170 31O 2s -0.004151 0.011060 -0.006036 -0.006650 0.001315 -0.003059 31O 3s -0.006367 0.006647 0.024870 -0.001869 -0.010690 0.008774 31O 4s 0.036478 -0.182004 -0.045122 0.127248 0.001550 -0.000454 31O 5s 0.366480 0.618956 -0.210265 -0.573088 0.268333 0.071381 31O 1pz -0.019558 0.004498 -0.017543 -0.000242 -0.024449 -0.012682 31O 1px 0.058089 0.059640 -0.012731 -0.076207 0.033499 0.012354 31O 1py -0.042739 0.015774 0.009084 0.004629 -0.013463 -0.007221 31O 2pz -0.034776 0.026335 -0.036554 -0.004919 -0.017316 -0.019691 31O 2px 0.046805 0.089243 0.012308 -0.093630 0.013112 0.020024 31O 2py -0.104441 0.017089 0.028442 0.017607 -0.023455 -0.016701 31O 3pz 0.360153 -0.094436 -0.325952 -0.067786 0.140998 -0.004618 31O 3px -0.292100 -0.203504 0.298360 0.344363 -0.166772 0.124163 31O 3py 0.073882 -0.083637 0.380762 0.179899 -0.207706 0.172389 31O 1dz2 0.001977 0.000405 -0.001644 -0.002959 0.000864 -0.001602 31O 1dxz 0.003120 -0.002835 -0.003170 0.000769 0.003251 0.000070 31O 1dyz 0.002327 -0.002233 -0.000236 -0.000290 0.002026 -0.001236 31O 1dx2y2 -0.000823 -0.000490 0.002656 0.000870 -0.000267 -0.000376 31O 1dxy -0.002418 0.001541 0.003184 0.001618 -0.002321 0.002432 31O 2dz2 -0.017204 -0.002656 -0.007524 0.006554 -0.010049 -0.002312 31O 2dxz -0.031046 -0.002769 0.011655 0.015857 -0.014197 0.000738 31O 2dyz -0.004021 -0.007064 0.001812 0.000642 -0.008576 -0.003495 31O 2dx2y2 0.012721 0.009036 -0.003206 -0.011710 0.007935 0.001791 31O 2dxy 0.008947 0.006298 -0.020539 -0.013536 0.014826 -0.001649 31O 1f0 -0.001591 -0.000317 0.001005 0.001052 -0.001184 0.000061 31O 1f+1 0.000560 -0.000035 0.000989 -0.000233 0.000574 0.000356 31O 1f-1 0.000610 -0.000150 0.000405 -0.000683 0.000084 -0.000325 31O 1f+2 0.001109 -0.000183 0.000462 -0.000659 0.000600 -0.000086 31O 1f-2 0.001396 -0.000337 -0.001370 -0.000354 0.000860 -0.000373 31O 1f+3 0.000269 0.001027 0.000769 -0.000655 -0.000156 0.000213 31O 1f-3 0.001736 -0.000554 -0.000469 -0.000542 0.001477 0.000354 32O 1s -0.002175 -0.005833 -0.012519 -0.007177 0.002618 0.004273 32O 2s -0.004995 -0.013241 -0.028047 -0.016019 0.005682 0.009887 32O 3s 0.003462 0.004820 0.002456 0.000652 0.002401 -0.006682 32O 4s 0.043523 0.136595 0.284143 0.167793 -0.087452 -0.075950 32O 5s -0.029334 -0.051739 0.082102 0.026260 0.103148 -0.055935 32O 1pz 0.052292 -0.043720 0.025827 -0.037649 0.005238 0.004693 32O 1px 0.007886 -0.039572 -0.023566 -0.033070 0.014900 0.019101 32O 1py -0.015243 0.015939 -0.028403 -0.010342 -0.021397 0.014120 32O 2pz 0.146024 -0.104751 0.065435 -0.080475 0.041037 0.011070 32O 2px 0.014137 -0.092373 -0.069002 -0.081187 0.037524 0.051505 32O 2py -0.042525 0.031065 -0.063432 -0.025026 -0.043710 0.029527 32O 3pz 0.125490 -0.013663 -0.056322 0.043816 0.227715 0.040646 32O 3px 0.173616 0.101041 0.046964 0.055947 0.045982 -0.082201 32O 3py 0.069605 0.034030 0.446755 0.239232 0.045696 -0.146062 32O 1dz2 -0.001777 0.000091 -0.002570 -0.000307 -0.001453 0.000425 32O 1dxz 0.002442 -0.001339 -0.001677 -0.002175 0.002030 0.000584 32O 1dyz -0.005240 0.002438 -0.000447 0.001563 -0.004548 -0.000752 32O 1dx2y2 0.000666 -0.000417 0.000874 0.000013 0.000690 -0.000218 32O 1dxy -0.002713 0.000971 0.001385 0.001438 -0.001735 -0.000706 32O 2dz2 0.017928 -0.013397 0.000312 -0.003347 0.017930 0.003552 32O 2dxz -0.027277 0.014367 -0.003097 0.000410 -0.018918 -0.003157 32O 2dyz 0.016686 -0.005625 0.004993 0.000351 0.013287 0.002819 32O 2dx2y2 -0.012201 0.009167 0.002633 0.003419 -0.010947 -0.002083 32O 2dxy 0.002933 -0.002092 -0.014764 -0.009392 0.006903 0.003084 32O 1f0 0.001198 -0.000272 0.002048 0.000803 0.000564 -0.000323 32O 1f+1 0.001575 -0.001263 -0.000825 -0.000845 0.001304 0.000459 32O 1f-1 0.001865 -0.000603 0.002602 0.001118 0.001140 -0.000254 32O 1f+2 -0.001397 0.000552 -0.001114 -0.000577 -0.000986 0.000041 32O 1f-2 -0.002463 0.001761 0.001357 0.001304 -0.002064 -0.000629 32O 1f+3 0.001037 -0.000874 -0.000807 -0.000589 0.000892 0.000291 32O 1f-3 0.001397 -0.000869 -0.000593 -0.000627 0.000902 0.000368 33O 1s -0.000243 -0.001937 0.002452 0.001596 0.001816 0.000838 33O 2s -0.000937 -0.004268 0.006041 0.003052 0.002941 0.001810 33O 3s 0.008361 -0.000133 -0.013754 0.007801 0.020967 0.000226 33O 4s -0.042098 0.067588 0.011853 -0.113256 -0.174975 -0.025025 33O 5s -0.225905 -0.090003 -0.080096 0.805581 0.558612 0.078837 33O 1pz -0.035206 0.007979 0.040947 0.008098 -0.003110 0.001183 33O 1px 0.013970 -0.037087 -0.031090 0.056752 0.083449 0.005637 33O 1py 0.038340 -0.017141 -0.033248 0.008006 0.038292 0.029862 33O 2pz -0.068725 0.025953 0.075519 0.047617 0.003805 0.010759 33O 2px 0.008939 -0.024475 -0.047957 0.055148 0.108730 0.005250 33O 2py 0.062989 -0.043471 -0.040779 0.020725 0.061352 0.051228 33O 3pz -0.013484 -0.120082 -0.099446 0.006185 -0.098759 -0.069341 33O 3px 0.279415 -0.160671 -0.059609 -0.329106 -0.007398 -0.001887 33O 3py -0.186072 0.136613 0.141278 -0.096920 -0.123123 -0.033467 33O 1dz2 -0.001087 -0.000392 0.002965 0.001303 0.001303 0.000854 33O 1dxz 0.000733 -0.000086 0.000230 0.000503 -0.002194 -0.000016 33O 1dyz -0.000121 0.001132 -0.000447 0.000232 -0.000115 -0.000083 33O 1dx2y2 0.000684 -0.000191 -0.001341 -0.000977 0.000783 0.000102 33O 1dxy -0.002043 -0.000853 0.002866 -0.001045 -0.001330 0.000266 33O 2dz2 -0.005605 0.006177 0.005269 0.004644 -0.009379 -0.005030 33O 2dxz 0.001071 0.009624 0.002182 -0.016820 -0.010596 0.001587 33O 2dyz -0.000999 -0.003456 -0.003101 -0.003446 0.004492 0.000301 33O 2dx2y2 -0.003674 0.003944 -0.005225 0.019262 0.012287 -0.000811 33O 2dxy 0.001615 -0.008490 -0.006977 -0.002718 0.009343 0.000487 33O 1f0 -0.000263 0.001043 -0.000287 -0.000563 -0.000913 -0.000362 33O 1f+1 0.001045 -0.000499 -0.000724 -0.000361 0.001374 0.000347 33O 1f-1 -0.000340 0.000031 0.000114 0.000051 0.000487 0.000219 33O 1f+2 0.000375 -0.000137 -0.000248 0.001102 0.000432 -0.000179 33O 1f-2 0.000728 -0.000417 -0.000703 0.000360 0.000852 0.000049 33O 1f+3 0.000535 -0.000464 -0.000551 0.000903 0.000996 0.000086 33O 1f-3 -0.000434 -0.000061 -0.000365 0.000177 0.000257 -0.000087 34O 1s 0.003911 0.004450 0.003247 0.000755 0.000717 -0.000593 34O 2s 0.008346 0.009957 0.007531 0.002533 0.001126 -0.001427 34O 3s 0.007549 -0.000819 -0.007723 -0.019185 0.009227 0.001782 34O 4s -0.158467 -0.147121 -0.079254 0.104930 -0.075643 0.003946 34O 5s 0.310217 0.859484 0.635419 -0.500383 0.096946 0.167135 34O 1pz 0.062839 -0.000730 0.051841 0.018186 -0.000259 0.019587 34O 1px -0.069841 -0.059134 -0.026504 0.074193 -0.039729 -0.017889 34O 1py -0.000626 -0.032161 -0.018970 0.030293 -0.013488 0.009885 34O 2pz 0.082884 -0.004845 0.073411 0.025399 0.013817 0.027602 34O 2px -0.086239 -0.057520 0.011098 0.106001 -0.051520 -0.007116 34O 2py -0.012978 -0.049204 -0.052614 0.034968 0.004434 -0.002481 34O 3pz -0.051288 0.060320 -0.149013 0.023219 -0.021114 -0.052801 34O 3px -0.122370 0.290964 0.286788 -0.094236 -0.077389 -0.002840 34O 3py 0.041981 -0.041534 0.082329 -0.104446 -0.074992 0.054489 34O 1dz2 -0.001170 -0.001170 0.000093 0.000061 0.000588 -0.000328 34O 1dxz 0.003763 -0.001180 0.002894 0.000947 -0.001086 0.000665 34O 1dyz -0.000577 -0.000303 -0.000495 -0.001635 0.000563 0.000140 34O 1dx2y2 0.003094 -0.000128 -0.000972 -0.001012 0.000773 0.000363 34O 1dxy -0.000149 -0.001937 -0.001225 -0.000079 -0.000327 -0.001353 34O 2dz2 -0.014595 -0.008615 -0.010285 0.008646 -0.004912 -0.007428 34O 2dxz -0.005946 0.000997 -0.001925 0.000022 -0.003263 -0.008343 34O 2dyz 0.002232 -0.009078 0.004762 0.008853 -0.003459 0.000274 34O 2dx2y2 0.008380 0.023171 0.025962 -0.010229 0.002789 0.001731 34O 2dxy 0.006432 -0.008638 -0.008150 -0.006690 0.003300 -0.005307 34O 1f0 0.000835 -0.000820 0.000189 -0.000228 0.000476 0.000427 34O 1f+1 -0.000346 -0.000400 -0.001320 0.000025 0.000207 -0.000106 34O 1f-1 -0.000550 0.000309 0.000143 0.000195 -0.000590 -0.000260 34O 1f+2 -0.002139 -0.000093 -0.000784 0.000313 -0.000699 -0.000782 34O 1f-2 0.000188 -0.001276 -0.000002 0.000279 0.000115 -0.000051 34O 1f+3 0.000529 -0.000636 -0.001353 0.000483 -0.000280 -0.000086 34O 1f-3 -0.000797 -0.000423 0.000730 0.001094 -0.000486 0.000645 35O 1s -0.006234 0.000430 -0.002741 0.001219 0.001401 0.000531 35O 2s -0.013904 0.000536 -0.006373 0.002070 0.003159 0.001416 35O 3s 0.000101 0.009902 0.004572 0.013418 -0.001229 -0.005749 35O 4s 0.150640 -0.023264 0.079093 -0.111397 -0.091477 -0.000819 35O 5s -0.442788 -0.189212 -0.342882 0.232458 0.858797 0.208083 35O 1pz 0.028979 -0.025075 -0.063330 -0.009392 0.040862 0.004211 35O 1px 0.025037 0.023443 0.036612 -0.027528 -0.095201 -0.023258 35O 1py -0.018305 0.019246 0.046677 0.000329 -0.021908 0.015987 35O 2pz 0.033619 -0.019933 -0.071258 0.001387 0.061958 0.033978 35O 2px 0.046006 0.001768 0.042341 -0.036694 -0.078916 -0.002440 35O 2py -0.045730 -0.007324 0.050711 -0.010884 -0.004790 0.023990 35O 3pz -0.053683 -0.067991 -0.052287 -0.162470 -0.004315 -0.124349 35O 3px -0.013229 -0.279673 -0.269610 -0.124770 0.348388 0.143230 35O 3py 0.156867 -0.052880 -0.176663 -0.114960 0.134925 0.030421 35O 1dz2 0.002537 -0.002328 -0.000451 -0.001627 0.001465 0.000791 35O 1dxz -0.000941 -0.000587 -0.002347 -0.001244 0.001728 0.000339 35O 1dyz -0.002104 0.000811 0.000019 -0.001135 0.000122 -0.000158 35O 1dx2y2 -0.001850 0.000797 -0.000232 0.000385 -0.001665 -0.001458 35O 1dxy -0.005612 0.005068 0.001273 0.001759 -0.001256 -0.000035 35O 2dz2 -0.009690 0.015553 0.008471 0.001887 -0.022357 -0.001802 35O 2dxz -0.013711 0.003868 0.004371 -0.006751 -0.004627 0.002519 35O 2dyz -0.002181 -0.003428 0.006606 0.006722 0.007712 -0.001564 35O 2dx2y2 0.003996 -0.015903 -0.010429 -0.001575 0.031203 0.012229 35O 2dxy 0.001904 -0.006731 -0.014365 0.000853 0.025587 0.000799 35O 1f0 0.001266 -0.000309 -0.000401 0.000705 0.000844 -0.000253 35O 1f+1 -0.001461 0.001704 0.000762 0.000316 -0.001501 -0.000508 35O 1f-1 -0.000902 0.000586 -0.000182 0.000076 0.000252 0.000066 35O 1f+2 -0.000162 0.000598 0.000651 -0.000501 -0.001202 0.000094 35O 1f-2 -0.000657 0.000063 0.000106 -0.000645 0.000192 0.000280 35O 1f+3 0.000092 0.000215 0.000312 -0.000526 -0.000957 -0.000539 35O 1f-3 -0.001354 0.001349 0.000901 0.000483 -0.001991 -0.000457 198 199 200 201 202 203 0.45735 0.46180 0.46542 0.48052 0.49467 0.49923 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s -0.001013 -0.000620 -0.000513 -0.001001 -0.002922 0.000610 0Rh 2s 0.002929 0.001972 0.001317 0.003424 0.007828 -0.003020 0Rh 3s -0.004088 -0.002390 -0.002175 -0.003712 -0.012184 0.001686 0Rh 4s -0.012615 -0.008610 -0.005589 -0.015123 -0.033520 0.013848 0Rh 5s 0.002111 0.003589 -0.000776 0.009355 -0.000553 -0.017927 0Rh 6s 0.057396 0.030436 0.031962 0.040853 0.177026 0.000980 0Rh 7s -0.169403 -0.062672 -0.168921 -0.155841 -1.223847 -0.027503 0Rh 8s 0.069572 0.025047 -0.053998 0.105534 -0.111721 -0.055573 0Rh 1pz -0.000496 0.000613 -0.000902 0.001833 0.001444 0.005665 0Rh 1px -0.002564 -0.001910 -0.000551 0.000609 -0.000224 0.002469 0Rh 1py 0.009966 0.007259 0.001553 0.000536 0.007256 -0.001280 0Rh 2pz 0.001556 -0.002202 0.002839 -0.006459 -0.005214 -0.019934 0Rh 2px 0.009322 0.006929 0.001907 -0.001830 0.001493 -0.008777 0Rh 2py -0.034514 -0.025289 -0.005332 -0.001797 -0.025445 0.004512 0Rh 3pz 0.001557 0.003785 0.002588 0.008384 0.009250 0.025193 0Rh 3px -0.017586 -0.012772 -0.001928 -0.003537 -0.015466 0.012849 0Rh 3py 0.033803 0.027665 0.004337 0.000653 0.030669 -0.005890 0Rh 4pz -0.013342 -0.004733 -0.023472 -0.000953 -0.011608 0.001457 0Rh 4px 0.023058 0.015932 -0.001448 0.022341 0.055961 -0.006836 0Rh 4py 0.036724 0.015486 0.009122 0.006146 0.004975 0.000762 0Rh 5pz 0.020905 0.022077 0.045466 0.020900 0.051200 0.029905 0Rh 5px -0.077499 -0.054356 -0.002850 -0.038642 -0.153533 0.035061 0Rh 5py 0.024109 0.041778 -0.005806 -0.006683 0.074917 -0.013050 0Rh 6pz -0.052891 -0.255107 -0.536573 -0.158338 -0.911254 0.310204 0Rh 6px 0.479798 0.323182 0.063611 0.193609 2.592379 -0.264048 0Rh 6py -0.489445 -0.518651 0.182737 0.061799 -1.230519 0.082784 0Rh 1dz2 0.002042 0.009869 -0.006135 -0.016727 0.002437 0.008058 0Rh 1dxz 0.003024 0.003503 -0.022362 -0.003904 -0.002999 0.017402 0Rh 1dyz 0.001672 -0.000895 0.003440 -0.003142 0.005989 -0.010335 0Rh 1dx2y2 0.000621 0.004139 -0.017424 -0.013259 0.013806 0.015855 0Rh 1dxy -0.004373 -0.001773 0.001730 -0.003047 -0.023886 0.002412 0Rh 2dz2 -0.000157 -0.000750 -0.000235 0.001623 -0.000157 -0.001387 0Rh 2dxz 0.000035 0.000003 0.001379 -0.000045 0.000686 -0.000692 0Rh 2dyz -0.000256 -0.000702 0.000092 0.000640 -0.000441 0.001271 0Rh 2dx2y2 -0.000834 -0.000732 0.001050 0.000996 -0.001640 -0.001477 0Rh 2dxy 0.001315 0.000525 -0.000238 0.000573 0.002134 -0.000229 0Rh 3dz2 -0.003234 -0.015311 0.012465 0.024602 -0.003989 -0.009543 0Rh 3dxz -0.005823 -0.006567 0.036254 0.007536 0.002854 -0.030125 0Rh 3dyz -0.002102 0.004785 -0.006836 0.002832 -0.009544 0.014136 0Rh 3dx2y2 0.002270 -0.004682 0.028291 0.020771 -0.019355 -0.023889 0Rh 3dxy 0.002704 0.001212 -0.002286 0.003230 0.036271 -0.003656 0Rh 4dz2 -0.003248 -0.022877 0.004967 0.043867 -0.004386 -0.027267 0Rh 4dxz -0.002463 -0.004185 0.044319 0.004039 0.012336 -0.027592 0Rh 4dyz -0.004509 -0.011913 -0.003073 0.019660 -0.012229 0.031340 0Rh 4dx2y2 -0.012209 -0.016081 0.034910 0.029904 -0.037535 -0.037012 0Rh 4dxy 0.022986 0.007527 -0.005245 0.013522 0.055257 -0.004798 0Rh 5dz2 -0.026081 0.020637 0.030980 -0.073190 -0.000251 0.031762 0Rh 5dxz -0.035300 -0.019961 0.029395 0.019762 -0.016889 -0.081540 0Rh 5dyz -0.012670 0.122035 -0.022733 -0.172675 -0.012912 -0.071885 0Rh 5dx2y2 0.066544 0.055034 0.017952 -0.014332 0.010160 0.006216 0Rh 5dxy -0.057391 0.013068 0.005459 -0.069353 0.005957 -0.010672 0Rh 1f0 0.005094 0.006210 0.002825 0.000947 0.000375 -0.010732 0Rh 1f+1 0.000725 -0.000433 -0.000309 -0.002139 -0.000275 -0.008102 0Rh 1f-1 0.003568 0.007215 -0.002597 0.001109 0.001500 0.008677 0Rh 1f+2 0.002990 0.003448 0.002790 0.000147 0.001029 -0.006686 0Rh 1f-2 0.003626 0.000005 0.002204 -0.000674 -0.000784 -0.000377 0Rh 1f+3 -0.001367 -0.000646 -0.000354 -0.000390 0.001125 0.004907 0Rh 1f-3 -0.006340 -0.001994 -0.000464 -0.002319 -0.001679 -0.001495 1Rh 1s -0.001088 -0.000611 0.000425 -0.001025 0.002979 0.000191 1Rh 2s 0.003145 0.001936 -0.001018 0.003518 -0.008122 -0.001994 1Rh 3s -0.004395 -0.002364 0.001845 -0.003796 0.012335 -0.000122 1Rh 4s -0.013547 -0.008445 0.004276 -0.015546 0.034873 0.009514 1Rh 5s 0.002279 0.003406 0.001523 0.009723 -0.001275 -0.019270 1Rh 6s 0.061502 0.030335 -0.028144 0.041538 -0.176605 0.029097 1Rh 7s -0.191346 -0.065214 0.155570 -0.150390 1.214032 -0.227063 1Rh 8s 0.051282 0.021999 0.064755 0.104610 0.108360 -0.045142 1Rh 1pz 0.000540 -0.000425 -0.000778 -0.001805 0.000055 -0.005772 1Rh 1px 0.002529 0.001983 -0.000415 -0.000583 -0.000788 -0.002452 1Rh 1py -0.010058 -0.007426 0.000904 -0.000400 0.007395 0.000336 1Rh 2pz -0.001723 0.001536 0.002418 0.006353 -0.000365 0.020337 1Rh 2px -0.009223 -0.007187 0.001401 0.001744 0.003461 0.008617 1Rh 2py 0.034822 0.025872 -0.003082 0.001322 -0.025936 -0.001195 1Rh 3pz -0.001125 -0.002849 0.002845 -0.008138 0.003879 -0.026210 1Rh 3px 0.017899 0.013169 -0.000755 0.003542 -0.017708 -0.010679 1Rh 3py -0.033959 -0.028317 0.002064 -0.000087 0.031317 0.001742 1Rh 4pz 0.012501 0.004336 -0.022408 0.000499 -0.014749 0.000729 1Rh 4px -0.024824 -0.016242 -0.003492 -0.021884 0.054982 -0.001262 1Rh 4py -0.037577 -0.015776 0.006950 -0.006037 0.004916 -0.000850 1Rh 5pz -0.018304 -0.019087 0.044389 -0.019455 0.047564 -0.037385 1Rh 5px 0.081703 0.056015 0.002583 0.037462 -0.156147 -0.013094 1Rh 5py -0.023499 -0.042942 -0.007427 0.008119 0.075832 0.002626 1Rh 6pz 0.001575 0.214966 -0.533228 0.143218 -0.951305 -0.196248 1Rh 6px -0.550948 -0.348743 0.033637 -0.167493 2.597659 -0.115649 1Rh 6py 0.496818 0.533343 0.204199 -0.086813 -1.224915 0.055437 1Rh 1dz2 0.000743 0.009365 0.006411 -0.016902 -0.000617 0.008453 1Rh 1dxz 0.003219 0.004105 0.022593 -0.003753 0.005132 0.016839 1Rh 1dyz 0.001866 -0.000740 -0.003394 -0.003094 -0.007439 -0.009301 1Rh 1dx2y2 -0.000218 0.004345 0.017417 -0.013335 -0.011213 0.017871 1Rh 1dxy -0.003661 -0.001952 -0.001872 -0.002553 0.023924 -0.000853 1Rh 2dz2 -0.000119 -0.000706 0.000228 0.001613 -0.000177 -0.001398 1Rh 2dxz 0.000004 -0.000041 -0.001419 -0.000059 -0.000667 -0.000593 1Rh 2dyz -0.000225 -0.000707 -0.000098 0.000632 0.000620 0.001181 1Rh 2dx2y2 -0.000790 -0.000767 -0.001096 0.001051 0.001439 -0.001690 1Rh 2dxy 0.001247 0.000542 0.000328 0.000521 -0.002153 0.000049 1Rh 3dz2 -0.000963 -0.014547 -0.012955 0.024974 0.001937 -0.010249 1Rh 3dxz -0.006059 -0.007513 -0.036522 0.007313 -0.006980 -0.029470 1Rh 3dyz -0.002592 0.004515 0.006779 0.002779 0.011531 0.012553 1Rh 3dx2y2 0.003653 -0.004921 -0.028090 0.020689 0.015286 -0.026826 1Rh 3dxy 0.001652 0.001477 0.002174 0.002511 -0.036265 0.001364 1Rh 4dz2 -0.001191 -0.021719 -0.005338 0.043898 -0.002192 -0.027807 1Rh 4dxz -0.003066 -0.005430 -0.045104 0.003641 -0.014266 -0.025633 1Rh 4dyz -0.004353 -0.012158 0.002928 0.019449 0.016489 0.028934 1Rh 4dx2y2 -0.010527 -0.016792 -0.035539 0.030719 0.032017 -0.042244 1Rh 4dxy 0.021225 0.007950 0.006646 0.012295 -0.055492 0.002561 1Rh 5dz2 -0.021558 0.020927 -0.032999 -0.071160 0.012159 0.030464 1Rh 5dxz -0.035161 -0.021133 -0.028668 0.020050 -0.000378 -0.084206 1Rh 5dyz -0.015356 0.121638 0.022300 -0.171508 0.006584 -0.071687 1Rh 5dx2y2 0.066003 0.055861 -0.014275 -0.016835 -0.012331 0.008651 1Rh 5dxy -0.056248 0.013302 -0.010686 -0.069041 -0.005066 -0.008600 1Rh 1f0 -0.005295 -0.006363 0.002352 -0.000846 0.001982 0.010606 1Rh 1f+1 -0.000725 0.000405 -0.000466 0.002104 0.001090 0.007993 1Rh 1f-1 -0.003790 -0.007256 -0.002800 -0.001042 0.000133 -0.008831 1Rh 1f+2 -0.002963 -0.003513 0.002562 -0.000144 0.002006 0.006705 1Rh 1f-2 -0.003665 0.000019 0.001952 0.000536 -0.000691 0.000138 1Rh 1f+3 0.001222 0.000672 -0.000255 0.000380 0.000427 -0.004915 1Rh 1f-3 0.006342 0.001986 -0.000025 0.002290 -0.001566 0.001922 2C 1s 0.010940 -0.017780 0.002061 -0.012785 -0.004750 -0.004753 2C 2s 0.023860 -0.037422 0.004527 -0.026128 -0.010877 -0.009856 2C 3s -0.012006 -0.046734 0.013164 -0.031634 0.018605 -0.019433 2C 4s -0.317838 0.982718 -0.168065 0.871120 0.032685 0.384875 2C 5s 2.480124 -2.143310 -0.468384 -9.742529 -1.734323 -3.849996 2C 1pz 0.092098 -0.042874 0.049573 0.021231 -0.048251 -0.040626 2C 1px 0.036732 -0.026161 0.035118 0.005655 -0.015553 0.063975 2C 1py -0.117868 -0.002505 -0.117749 -0.016038 0.028571 0.035533 2C 2pz 0.446506 -0.159988 0.168957 -0.027875 -0.269844 -0.175200 2C 2px 0.160102 -0.118411 0.141742 0.016860 -0.092008 0.197987 2C 2py -0.397444 -0.006502 -0.467628 -0.168136 0.053000 0.118527 2C 3pz 0.108773 0.043352 -0.753242 -1.892595 -0.080591 -0.247058 2C 3px -0.164211 0.348539 -0.238664 -0.953686 0.077823 -0.815485 2C 3py 1.329933 -0.104703 0.833403 -1.058064 -0.530249 -0.659093 2C 1dz2 0.003064 0.002047 0.003171 -0.002094 -0.001242 -0.002418 2C 1dxz 0.005097 -0.000876 0.002613 -0.001775 0.002483 0.001412 2C 1dyz -0.001748 0.003292 -0.002241 -0.002186 -0.002344 -0.000853 2C 1dx2y2 0.003787 -0.000772 0.001825 0.002753 -0.000796 -0.000067 2C 1dxy -0.003876 0.000871 -0.003266 0.000124 0.001838 0.000695 2C 2dz2 0.008739 -0.003886 0.001949 -0.060037 0.003915 0.059531 2C 2dxz -0.007127 -0.014159 -0.012323 0.009086 -0.033483 -0.072761 2C 2dyz 0.046898 -0.029845 0.006154 -0.056173 -0.041527 -0.044282 2C 2dx2y2 -0.035018 -0.000476 0.006916 -0.006189 0.018364 -0.031908 2C 2dxy 0.032117 -0.026926 -0.017709 -0.021751 -0.006753 -0.022834 2C 1f0 -0.010455 0.004274 -0.006003 -0.000173 0.002967 0.006867 2C 1f+1 0.006344 -0.001548 0.005298 0.000825 -0.004177 -0.003246 2C 1f-1 0.003000 0.002680 -0.000297 0.000342 -0.001093 -0.000448 2C 1f+2 -0.000549 -0.006719 0.000075 -0.001682 -0.001504 -0.007156 2C 1f-2 -0.007940 0.009148 -0.006408 0.002618 0.001842 -0.001010 2C 1f+3 -0.003297 -0.008193 -0.004653 -0.006037 -0.000822 -0.001323 2C 1f-3 0.004984 -0.003034 0.003527 -0.001422 -0.000986 0.003941 3C 1s -0.011586 0.020858 -0.002288 0.012483 -0.000148 0.000351 3C 2s -0.023811 0.044875 -0.004989 0.025694 -0.000975 0.000231 3C 3s -0.036230 0.025755 0.002971 0.011758 -0.015126 0.015498 3C 4s 0.729572 -0.941621 0.067989 -0.705226 0.097469 -0.113510 3C 5s -3.249819 2.503926 -0.688213 10.830238 3.570133 1.214254 3C 1pz -0.058192 -0.094129 0.105203 0.013450 0.028821 -0.038622 3C 1px 0.030030 -0.002183 0.023402 -0.023628 0.020735 0.076284 3C 1py 0.000867 -0.110401 0.079296 0.007584 0.006779 0.009421 3C 2pz -0.255725 -0.354812 0.413937 0.186197 0.181487 -0.167492 3C 2px 0.118097 0.023026 0.069582 -0.024717 0.086402 0.272079 3C 2py 0.016275 -0.475626 0.317222 -0.121836 -0.041564 0.022400 3C 3pz 0.159184 1.109707 -1.002482 0.908229 0.585409 0.331870 3C 3px -0.366905 -0.031154 -0.388698 1.376198 0.204550 -0.174693 3C 3py 0.439180 0.364575 -0.423082 -2.465385 -1.082807 -0.208330 3C 1dz2 -0.000951 -0.000114 0.000660 -0.000489 -0.002403 -0.000602 3C 1dxz 0.000200 -0.003755 0.001835 0.001776 0.002258 0.003549 3C 1dyz 0.000211 0.005832 -0.002656 -0.002338 -0.001035 0.000550 3C 1dx2y2 -0.002041 -0.003009 0.004388 -0.004073 0.000202 -0.000671 3C 1dxy -0.000802 -0.000543 0.000134 -0.002702 -0.002392 0.000794 3C 2dz2 0.030624 -0.018148 -0.014868 -0.039524 -0.011301 0.065141 3C 2dxz -0.011338 0.033335 0.008695 0.017847 0.008889 -0.043088 3C 2dyz 0.003235 -0.043373 0.027466 -0.065770 -0.010113 -0.047308 3C 2dx2y2 0.015148 0.015490 -0.008840 -0.037482 -0.051924 -0.068885 3C 2dxy 0.017891 -0.045640 0.002622 -0.040039 0.007392 0.080602 3C 1f0 0.006114 0.003204 -0.008130 -0.004095 -0.001913 0.002369 3C 1f+1 0.004510 0.000495 -0.002149 -0.001588 0.001243 0.005495 3C 1f-1 0.001327 -0.012517 0.006381 -0.002005 0.001697 -0.000196 3C 1f+2 -0.005024 0.012634 -0.000420 0.001265 -0.004434 -0.000089 3C 1f-2 -0.005777 0.006042 0.000031 0.000637 -0.003069 0.000563 3C 1f+3 0.000964 0.007634 -0.006490 0.001554 -0.000916 -0.004126 3C 1f-3 -0.002367 -0.001834 0.002095 0.000526 -0.000814 -0.010820 4C 1s -0.008070 0.015688 -0.000502 0.013636 -0.005056 0.001553 4C 2s -0.017468 0.034507 -0.000871 0.030200 -0.011115 0.003309 4C 3s 0.049442 -0.047491 -0.047181 0.006979 -0.014505 0.034912 4C 4s 0.043224 -0.366325 0.405428 -1.073230 0.364507 -0.409458 4C 5s -2.314475 1.451005 0.613998 5.104459 0.024468 1.633017 4C 1pz -0.029736 -0.030527 -0.036699 0.057085 0.043814 0.024747 4C 1px 0.003953 -0.034067 -0.032295 0.028397 0.001718 -0.064668 4C 1py 0.018945 -0.030373 0.018721 0.012618 -0.028317 0.026321 4C 2pz -0.034795 -0.034068 0.001906 -0.033839 0.225152 0.092142 4C 2px -0.135860 -0.080367 0.072935 0.012326 -0.400061 -0.435798 4C 2py -0.053523 -0.057975 0.106365 -0.036266 -0.058181 -0.069909 4C 3pz 1.016384 0.623868 -0.335459 -4.573294 -1.354098 -1.580129 4C 3px 0.082892 -0.016865 -0.008113 -0.620110 -0.252592 -0.141057 4C 3py 0.578500 0.310388 -0.386611 -2.734802 -0.787822 -1.345969 4C 1dz2 0.000921 -0.002768 -0.011275 -0.000576 -0.000059 0.004100 4C 1dxz -0.004600 0.000713 -0.004473 0.001683 -0.008842 0.000652 4C 1dyz 0.005833 -0.003376 0.001168 -0.004354 -0.002301 -0.002316 4C 1dx2y2 -0.006764 0.002759 0.003640 -0.007300 0.008683 -0.002444 4C 1dxy 0.001939 0.002027 0.004636 -0.004975 -0.001052 -0.001830 4C 2dz2 -0.055293 0.022442 -0.010505 0.019993 0.085157 0.042941 4C 2dxz -0.061621 -0.025685 0.001427 0.048257 -0.090527 -0.084030 4C 2dyz -0.061556 0.021758 0.035847 -0.039152 0.095747 -0.014979 4C 2dx2y2 -0.030838 0.013461 -0.012455 -0.064868 -0.082425 -0.042530 4C 2dxy -0.088700 0.045156 0.074032 -0.051992 -0.071453 -0.152407 4C 1f0 0.003288 0.000287 -0.000034 0.003346 -0.003037 -0.003807 4C 1f+1 0.002868 -0.002986 -0.007742 0.005374 -0.001896 0.006855 4C 1f-1 0.003633 0.001100 -0.004012 -0.005011 0.000502 0.003769 4C 1f+2 -0.000066 0.000130 0.001800 -0.001767 0.008603 0.003249 4C 1f-2 -0.000961 0.000518 0.002959 -0.002380 -0.006793 -0.004811 4C 1f+3 0.002060 0.000808 0.000629 -0.000682 0.006160 0.002385 4C 1f-3 0.005276 -0.000359 -0.006314 0.005033 0.005259 0.009956 5C 1s 0.013856 -0.011907 0.000008 -0.012988 0.001350 0.001392 5C 2s 0.030639 -0.025990 -0.000318 -0.028319 0.003518 0.003361 5C 3s -0.020692 0.074841 -0.031333 -0.005250 -0.007643 -0.057801 5C 4s -0.553315 -0.028898 0.237245 1.006693 0.037401 0.452514 5C 5s 1.933232 -1.965985 0.494486 -6.511017 -1.948146 0.050478 5C 1pz -0.020316 0.019314 -0.022689 -0.022330 -0.024202 0.000359 5C 1px -0.028538 0.020761 0.000856 -0.010480 -0.026483 -0.114870 5C 1py 0.015527 -0.002520 -0.017092 0.083610 0.005944 -0.012996 5C 2pz -0.143743 -0.062323 0.080184 -0.018307 0.087328 0.130106 5C 2px 0.135683 0.140127 -0.091319 0.014246 -0.405765 -0.352821 5C 2py 0.113594 0.104198 -0.136249 0.027565 0.005702 -0.120879 5C 3pz -0.236072 -0.195589 -0.140927 3.117107 1.249301 0.672073 5C 3px 0.033979 0.221384 -0.074870 1.713522 0.975851 0.222651 5C 3py 0.574483 0.185468 0.428222 -5.388470 -2.417296 -0.639920 5C 1dz2 0.001058 0.003233 -0.005503 -0.006215 0.001802 -0.001437 5C 1dxz 0.001585 0.006165 -0.005899 -0.001926 0.002208 -0.002833 5C 1dyz 0.002206 -0.005517 0.001890 -0.007975 -0.003885 -0.001936 5C 1dx2y2 0.003826 -0.000787 -0.001314 0.001476 -0.012368 0.006454 5C 1dxy -0.000578 -0.000330 0.004389 -0.001934 -0.001956 -0.003253 5C 2dz2 -0.022719 0.082627 -0.007330 -0.031420 0.048843 -0.070728 5C 2dxz 0.058492 0.051802 -0.074126 -0.048272 -0.059111 -0.016017 5C 2dyz 0.035403 0.106860 -0.058222 -0.019951 -0.000576 -0.052520 5C 2dx2y2 0.034178 0.038116 -0.013288 0.083388 0.057464 0.002342 5C 2dxy -0.056211 -0.035418 0.001563 0.040855 0.159918 0.131660 5C 1f0 0.003074 0.004192 -0.001618 -0.005708 -0.007148 -0.009242 5C 1f+1 -0.001638 0.001245 -0.003371 -0.002631 0.004287 -0.000462 5C 1f-1 0.004036 0.002345 -0.003664 -0.000802 -0.003519 0.002390 5C 1f+2 -0.000444 -0.000496 0.002047 -0.004387 0.001760 0.004099 5C 1f-2 -0.006719 -0.006711 0.008192 0.000504 0.004998 0.005495 5C 1f+3 -0.000981 0.002927 -0.000101 -0.001002 0.004256 -0.004333 5C 1f-3 0.000230 -0.005436 0.005219 0.003987 -0.002079 0.006110 6C 1s 0.012661 -0.011621 0.000568 -0.013082 -0.000996 0.001403 6C 2s 0.028081 -0.025376 0.001612 -0.028547 -0.002689 0.003473 6C 3s -0.019347 0.074490 0.031389 -0.003835 -0.002794 -0.057970 6C 4s -0.501100 -0.036734 -0.272608 1.002121 0.029226 0.465541 6C 5s 1.642083 -1.971447 -0.448382 -6.521369 2.025922 -0.299289 6C 1pz 0.019259 -0.019557 -0.022577 0.021255 -0.022532 0.001810 6C 1px 0.027307 -0.021029 0.001942 0.011496 -0.014263 0.122967 6C 1py -0.019126 0.001120 -0.017813 -0.083642 0.008335 0.012001 6C 2pz 0.141864 0.062945 0.089386 0.018481 0.063589 -0.146003 6C 2px -0.132827 -0.140723 -0.107403 -0.015282 -0.339324 0.433493 6C 2py -0.116973 -0.106590 -0.145980 -0.029944 0.030159 0.120332 6C 3pz 0.154057 0.154326 -0.124110 -3.100999 1.173027 -0.855482 6C 3px -0.098617 -0.250475 -0.091159 -1.707199 0.964683 -0.373349 6C 3py -0.430326 -0.113258 0.407230 5.370129 -2.374568 0.980921 6C 1dz2 0.001111 0.003332 0.005567 -0.006239 -0.001794 -0.001219 6C 1dxz 0.001836 0.006404 0.006148 -0.001949 -0.002717 -0.002632 6C 1dyz 0.001493 -0.005488 -0.001694 -0.007891 0.003437 -0.002562 6C 1dx2y2 0.003897 -0.001085 0.001410 0.001657 0.013021 0.004996 6C 1dxy -0.000406 -0.000442 -0.004521 -0.001938 0.001936 -0.003433 6C 2dz2 -0.018392 0.080907 0.006569 -0.031466 -0.057123 -0.060635 6C 2dxz 0.050257 0.048257 0.079369 -0.046612 0.050162 -0.024709 6C 2dyz 0.040402 0.108154 0.062736 -0.019901 -0.010858 -0.055783 6C 2dx2y2 0.037314 0.040512 0.016372 0.080884 -0.060795 0.002244 6C 2dxy -0.055746 -0.034118 -0.009228 0.038691 -0.132213 0.157009 6C 1f0 -0.003094 -0.004120 -0.001995 0.005587 -0.005380 0.010416 6C 1f+1 0.001801 -0.001189 -0.003240 0.002562 0.004059 -0.000625 6C 1f-1 -0.003965 -0.002300 -0.003867 0.000789 -0.003719 -0.001824 6C 1f+2 0.000625 0.000598 0.002119 0.004374 0.000976 -0.004559 6C 1f-2 0.006441 0.006745 0.008857 -0.000386 0.003334 -0.006475 6C 1f+3 0.000821 -0.002967 -0.000049 0.000924 0.004870 0.003327 6C 1f-3 -0.000365 0.005413 0.005377 -0.003899 -0.003017 -0.005689 7C 1s -0.008012 0.015635 0.000116 0.013538 0.004873 0.001202 7C 2s -0.017319 0.034395 0.000050 0.029976 0.010685 0.002547 7C 3s 0.049990 -0.046289 0.048337 0.008816 0.021355 0.030976 7C 4s 0.039812 -0.370404 -0.392860 -1.081386 -0.413153 -0.361001 7C 5s -2.371498 1.394463 -0.772231 5.052069 0.057374 1.735124 7C 1pz 0.028615 0.031064 -0.034846 -0.056015 0.041269 -0.031306 7C 1px -0.003845 0.035157 -0.031686 -0.029740 0.005327 0.065438 7C 1py -0.016981 0.030414 0.019364 -0.013568 -0.033045 -0.020867 7C 2pz 0.031174 0.037245 0.004249 0.039767 0.208901 -0.120639 7C 2px 0.145486 0.088950 0.078612 -0.023571 -0.327926 0.477175 7C 2py 0.069098 0.058079 0.109304 0.036158 -0.044185 0.077869 7C 3pz -1.072113 -0.685330 -0.425764 4.526883 -1.214465 1.768395 7C 3px -0.092466 0.000356 -0.018456 0.609100 -0.226933 0.182166 7C 3py -0.659834 -0.334956 -0.442020 2.713087 -0.656999 1.445794 7C 1dz2 0.000745 -0.002710 0.011368 -0.000457 0.000910 0.003883 7C 1dxz -0.004924 0.000755 0.004430 0.001893 0.008584 -0.000042 7C 1dyz 0.006332 -0.003214 -0.000856 -0.004290 0.001982 -0.002545 7C 1dx2y2 -0.007658 0.002477 -0.003667 -0.007505 -0.009124 -0.001319 7C 1dxy 0.001887 0.001960 -0.004532 -0.005016 0.000576 -0.001630 7C 2dz2 -0.059028 0.019258 0.009358 0.018271 -0.072755 0.049463 7C 2dxz -0.065283 -0.028922 -0.005433 0.051288 0.073153 -0.094476 7C 2dyz -0.063266 0.020894 -0.040983 -0.041582 -0.093749 -0.005617 7C 2dx2y2 -0.030750 0.011777 0.011258 -0.064228 0.074581 -0.048368 7C 2dxy -0.092793 0.043543 -0.073999 -0.050341 0.042824 -0.158956 7C 1f0 -0.003738 -0.000268 -0.000139 -0.003503 -0.002553 0.004258 7C 1f+1 -0.002956 0.002856 -0.007677 -0.005515 -0.002919 -0.006472 7C 1f-1 -0.003822 -0.001252 -0.004103 0.005011 -0.000391 -0.003688 7C 1f+2 -0.000195 -0.000027 0.001831 0.002056 0.007942 -0.004336 7C 1f-2 0.000763 -0.000446 0.002901 0.002190 -0.005647 0.005361 7C 1f+3 -0.002222 -0.000953 0.000459 0.000901 0.005615 -0.002921 7C 1f-3 -0.005645 0.000158 -0.006467 -0.005000 0.003206 -0.010141 8C 1s -0.009880 0.020590 0.001985 0.012631 0.000074 0.000317 8C 2s -0.020174 0.044309 0.004404 0.026014 0.000733 0.000014 8C 3s -0.034291 0.024286 -0.004562 0.012410 0.017481 0.014660 8C 4s 0.650627 -0.922235 -0.044392 -0.716374 -0.107260 -0.111078 8C 5s -2.800052 2.558439 0.585884 10.833835 -3.492629 1.776152 8C 1pz 0.063028 0.093365 0.107305 -0.013041 0.033840 0.037540 8C 1px -0.029131 0.002139 0.022724 0.023857 0.013617 -0.081407 8C 1py 0.004804 0.109661 0.079854 -0.007375 0.007012 -0.010873 8C 2pz 0.271357 0.349797 0.421868 -0.183287 0.204854 0.154894 8C 2px -0.117519 -0.024169 0.066231 0.026387 0.063309 -0.289159 8C 2py 0.014406 0.475879 0.319487 0.121965 -0.040078 -0.021237 8C 3pz -0.248452 -1.113955 -1.013273 -0.907243 0.547920 -0.438216 8C 3px 0.342831 0.028136 -0.371750 -1.387462 0.220676 0.156326 8C 3py -0.375420 -0.335276 -0.441538 2.451812 -1.083609 0.377488 8C 1dz2 -0.000869 -0.000126 -0.000696 -0.000444 0.002276 -0.000884 8C 1dxz -0.000019 -0.003793 -0.001977 0.001786 -0.001806 0.003967 8C 1dyz 0.000509 0.005646 0.002583 -0.002312 0.001165 0.000536 8C 1dx2y2 -0.002208 -0.002976 -0.004462 -0.004057 -0.000174 -0.000745 8C 1dxy -0.001046 -0.000639 -0.000148 -0.002676 0.002417 0.000392 8C 2dz2 0.028737 -0.017963 0.014903 -0.039510 0.021053 0.065151 8C 2dxz -0.007289 0.034168 -0.008458 0.017862 -0.013985 -0.043340 8C 2dyz -0.001246 -0.043011 -0.026103 -0.065767 0.004483 -0.049710 8C 2dx2y2 0.014247 0.014443 0.010114 -0.037217 0.043949 -0.076606 8C 2dxy 0.015424 -0.045858 -0.003974 -0.039649 0.003159 0.084416 8C 1f0 -0.006246 -0.003118 -0.008292 0.004131 -0.002369 -0.002417 8C 1f+1 -0.004337 -0.000576 -0.002054 0.001527 0.000592 -0.005855 8C 1f-1 -0.000555 0.012316 0.006382 0.002047 0.001781 0.000092 8C 1f+2 0.004212 -0.012213 -0.000279 -0.001388 -0.004279 0.000841 8C 1f-2 0.005361 -0.006148 0.000065 -0.000788 -0.003339 -0.000181 8C 1f+3 -0.001459 -0.007773 -0.006663 -0.001531 -0.000521 0.004290 8C 1f-3 0.002549 0.001605 0.001876 -0.000539 0.000514 0.011260 9C 1s 0.010676 -0.017535 -0.001253 -0.012737 0.004114 -0.005357 9C 2s 0.023272 -0.036889 -0.002793 -0.026020 0.009522 -0.011229 9C 3s -0.013100 -0.047132 -0.012839 -0.032350 -0.020588 -0.017151 9C 4s -0.299690 0.975032 0.135077 0.873947 0.008971 0.396070 9C 5s 2.548412 -2.036052 0.701268 -9.678611 1.393232 -4.152903 9C 1pz -0.101838 0.041353 0.047977 -0.021325 -0.043743 0.047153 9C 1px -0.042953 0.024914 0.035504 -0.005661 -0.018375 -0.065592 9C 1py 0.132365 0.004331 -0.116373 0.015704 0.023564 -0.040560 9C 2pz -0.485268 0.151334 0.157474 0.024792 -0.249349 0.210536 9C 2px -0.185058 0.113799 0.142082 -0.017989 -0.095575 -0.200811 9C 2py 0.454097 0.011801 -0.466404 0.164933 0.035608 -0.129703 9C 3pz -0.083155 -0.050777 -0.790873 1.858192 -0.078507 0.258710 9C 3px 0.201378 -0.340649 -0.258634 0.949086 0.128201 0.825482 9C 3py -1.451471 0.060254 0.783925 1.067818 -0.452553 0.754133 9C 1dz2 0.003477 0.002166 -0.003077 -0.002046 0.000897 -0.002548 9C 1dxz 0.005692 -0.000754 -0.002557 -0.001805 -0.002198 0.001644 9C 1dyz -0.001788 0.003251 0.002114 -0.002124 0.002310 -0.001186 9C 1dx2y2 0.004322 -0.000710 -0.001953 0.002787 0.000870 -0.000179 9C 1dxy -0.004191 0.000824 0.003213 0.000126 -0.001698 0.000833 9C 2dz2 0.003886 -0.001612 0.000091 -0.060019 0.002822 0.061842 9C 2dxz -0.011115 -0.013499 0.012850 0.010200 0.024316 -0.080081 9C 2dyz 0.049328 -0.029461 -0.003236 -0.055240 0.034980 -0.048656 9C 2dx2y2 -0.039840 0.000195 -0.007777 -0.005633 -0.021820 -0.031731 9C 2dxy 0.032741 -0.027132 0.018097 -0.021236 0.006276 -0.028202 9C 1f0 0.011700 -0.004209 -0.005946 0.000202 0.002314 -0.007486 9C 1f+1 -0.007001 0.001388 0.005121 -0.000872 -0.003440 0.003415 9C 1f-1 -0.003434 -0.002579 -0.000219 -0.000397 -0.001252 0.000757 9C 1f+2 0.000797 0.007101 0.000103 0.001781 -0.000842 0.007596 9C 1f-2 0.008289 -0.008869 -0.005989 -0.002692 0.001742 0.001190 9C 1f+3 0.004751 0.008000 -0.005021 0.005934 -0.000561 0.001524 9C 1f-3 -0.005354 0.003258 0.003241 0.001722 -0.001225 -0.004148 10H 1s 0.011463 -0.016123 -0.006919 -0.002014 -0.017387 -0.015034 10H 2s 0.103628 -0.192215 -0.088677 0.082193 -0.178841 -0.256045 10H 3s 0.039212 0.305424 0.043192 1.367337 0.199946 1.327236 10H 1pz 0.006005 -0.007207 0.001309 -0.001913 -0.000557 -0.009853 10H 1px -0.000353 0.007382 0.004432 0.005514 0.007352 0.013284 10H 1py -0.008598 -0.000772 -0.005923 -0.003470 0.004580 -0.000737 11H 1s 0.064203 -0.030883 0.038356 -0.003688 -0.015470 -0.002031 11H 2s 0.797926 -0.376927 0.541624 0.090298 -0.261841 -0.018086 11H 3s -1.569976 0.990001 -1.317057 0.357164 0.622297 0.474701 11H 1pz 0.016564 -0.013354 0.011943 0.008643 -0.011188 -0.007056 11H 1px 0.017726 -0.012777 0.016389 -0.004960 -0.002937 -0.000700 11H 1py -0.023274 0.008862 -0.013874 0.009358 0.003729 0.000981 12H 1s -0.021706 -0.020574 -0.035453 -0.012202 0.005152 0.015909 12H 2s -0.397712 -0.204950 -0.408638 -0.110781 0.081098 0.285581 12H 3s 0.960748 0.613944 1.149155 1.055741 -0.231846 -0.404549 12H 1pz 0.008427 0.001494 0.008537 0.005506 -0.003001 0.003117 12H 1px -0.004694 -0.004891 -0.000229 -0.010274 0.002098 0.005301 12H 1py -0.020392 -0.009976 -0.012394 -0.011058 0.003389 0.005747 13H 1s -0.023385 0.016090 0.002901 0.008161 -0.000702 -0.020838 13H 2s -0.338621 0.178004 0.112913 0.023817 -0.056976 -0.420886 13H 3s 1.044799 -0.010213 -0.223042 -1.405466 0.078033 0.453396 13H 1pz -0.016162 -0.001344 0.011251 0.006733 0.001690 -0.013013 13H 1px 0.012874 -0.007345 -0.002540 -0.007296 0.003102 0.014445 13H 1py 0.007300 -0.008520 -0.001705 -0.001732 0.003382 0.008416 14H 1s -0.014288 -0.001007 0.023893 0.007229 0.015194 0.012473 14H 2s -0.114786 -0.097695 0.353553 -0.029262 0.112988 0.224793 14H 3s 0.671461 0.274617 -1.055749 -0.760973 -0.371013 -0.316994 14H 1pz -0.007881 -0.004807 0.012150 0.000090 0.001612 -0.002130 14H 1px -0.004818 -0.002636 0.009811 0.006102 0.000943 0.016038 14H 1py -0.002369 -0.005749 0.006179 0.003896 0.006865 0.005792 15H 1s 0.003515 0.071350 -0.042443 0.011472 -0.001809 0.006611 15H 2s 0.151969 0.924222 -0.593766 -0.051861 -0.180908 0.145523 15H 3s 0.000122 -2.045567 1.380071 -0.306384 0.055190 -0.494378 15H 1pz -0.001160 -0.029341 0.018851 -0.012058 0.001537 -0.004260 15H 1px 0.003822 0.003565 -0.004547 -0.004174 -0.001601 0.015431 15H 1py -0.004358 -0.030354 0.017856 0.010610 0.015902 -0.006178 16H 1s 0.018476 -0.000740 0.012188 0.053127 0.023511 0.008003 16H 2s 0.256219 0.148062 0.204351 0.398468 0.299362 -0.004574 16H 3s -0.161237 -0.094105 -0.316779 -0.441913 -0.581935 0.317188 16H 1pz 0.008312 0.011961 0.015112 0.006550 0.006925 -0.009819 16H 1px -0.005634 -0.011795 -0.013075 0.009272 -0.022168 0.018268 16H 1py 0.009009 0.005894 -0.001354 0.001990 0.008704 0.008841 17H 1s 0.021386 0.017217 0.003589 -0.023356 0.018654 -0.006722 17H 2s 0.329338 0.201984 -0.111743 -0.109491 0.309357 0.077811 17H 3s -0.249217 -0.125994 0.164514 0.143759 -0.611061 -0.147769 17H 1pz -0.002839 -0.001642 0.006354 0.008489 0.011335 -0.003925 17H 1px -0.015995 -0.002829 0.020297 -0.010838 -0.028273 -0.020398 17H 1py 0.011720 0.008157 -0.001710 0.000808 0.009781 -0.001293 18H 1s 0.023524 0.017720 -0.002241 -0.021771 -0.018404 -0.001916 18H 2s 0.355651 0.213996 0.133209 -0.106835 -0.282178 0.125135 18H 3s -0.277038 -0.139349 -0.175861 0.133536 0.560838 -0.257119 18H 1pz 0.003563 0.002033 0.006787 -0.008041 0.011902 0.002374 18H 1px 0.017350 0.003968 0.021327 0.009861 -0.024191 0.023157 18H 1py -0.011953 -0.008497 -0.002384 -0.000135 0.009918 0.000540 19H 1s 0.018708 -0.001257 -0.010451 0.051912 -0.023206 0.010807 19H 2s 0.252329 0.139308 -0.184685 0.386911 -0.312469 0.026583 19H 3s -0.153909 -0.081891 0.296093 -0.423609 0.637744 0.230369 19H 1pz -0.007298 -0.010971 0.014589 -0.006558 0.009051 0.009546 19H 1px 0.005342 0.011532 -0.012696 -0.009390 -0.025022 -0.014883 19H 1py -0.009070 -0.006100 -0.001364 -0.001841 0.007228 -0.009274 20H 1s 0.008249 0.070712 0.042615 0.011578 0.002636 0.007026 20H 2s 0.206614 0.913594 0.599507 -0.048659 0.201647 0.129479 20H 3s -0.119020 -2.024662 -1.382879 -0.314472 -0.126990 -0.514032 20H 1pz 0.003195 0.029026 0.018842 0.012180 0.001943 0.004454 20H 1px -0.003867 -0.003629 -0.004619 0.003967 -0.003658 -0.015617 20H 1py 0.006022 0.029780 0.017950 -0.010358 0.017026 0.004093 21H 1s -0.013986 -0.001359 -0.024821 0.007338 -0.013988 0.014537 21H 2s -0.122421 -0.102990 -0.362632 -0.027724 -0.095129 0.236543 21H 3s 0.655490 0.277035 1.089162 -0.758286 0.356829 -0.372673 21H 1pz 0.008382 0.004873 0.012375 -0.000054 0.002148 0.002260 21H 1px 0.005019 0.002898 0.010141 -0.006240 -0.000482 -0.016167 21H 1py 0.002501 0.005714 0.006386 -0.003946 0.005864 -0.007102 22H 1s -0.021891 0.016259 -0.003077 0.008079 -0.001727 -0.022145 22H 2s -0.323403 0.179977 -0.113614 0.023603 0.010693 -0.448740 22H 3s 1.017234 -0.014639 0.242853 -1.419675 -0.023132 0.488747 22H 1pz 0.016088 0.001400 0.011372 -0.006767 0.003314 0.013270 22H 1px -0.012022 0.007465 -0.002641 0.007301 0.001472 -0.015437 22H 1py -0.006634 0.008459 -0.001735 0.001901 0.002587 -0.008987 23H 1s -0.026177 -0.020942 0.036337 -0.012363 -0.003729 0.017010 23H 2s -0.472113 -0.207924 0.416112 -0.112841 -0.058420 0.307076 23H 3s 1.121965 0.626797 -1.161077 1.047098 0.177365 -0.444436 23H 1pz -0.009192 -0.001749 0.008700 -0.005732 -0.003470 -0.002885 23H 1px 0.005286 0.004736 -0.000331 0.010233 0.001875 -0.006108 23H 1py 0.024199 0.010086 -0.012620 0.011173 0.003022 -0.006527 24H 1s 0.069349 -0.029473 -0.036534 -0.003530 0.014426 -0.003392 24H 2s 0.872033 -0.364271 -0.522364 0.089863 0.242802 -0.035402 24H 3s -1.724842 0.948234 1.270669 0.367275 -0.529316 0.544066 24H 1pz -0.018499 0.013369 0.011609 -0.008558 -0.009775 0.007828 24H 1px -0.020052 0.012690 0.016018 0.005259 -0.002343 0.000480 24H 1py 0.024934 -0.008165 -0.013128 -0.009167 0.003682 -0.001542 25H 1s 0.011017 -0.016089 0.007454 -0.001514 0.016090 -0.017171 25H 2s 0.092176 -0.193589 0.092973 0.086437 0.160099 -0.288768 25H 3s 0.066335 0.307131 -0.060371 1.365720 -0.092293 1.392677 25H 1pz -0.006119 0.007217 0.001176 0.001966 -0.000005 0.010833 25H 1px -0.000689 -0.007431 0.004670 -0.005327 0.006296 -0.014741 25H 1py 0.009866 0.000689 -0.005880 0.003548 0.004585 0.000493 26O 1s 0.001382 0.000293 -0.000838 -0.000296 0.001287 -0.003638 26O 2s 0.003326 0.000846 -0.002112 -0.001649 0.003554 -0.009125 26O 3s -0.006173 -0.006149 0.005902 0.018581 -0.015495 0.014640 26O 4s -0.036044 0.045758 0.035390 -0.148039 0.023383 -0.023808 26O 5s 0.398082 -0.481881 -0.425117 1.067098 0.535006 1.096774 26O 1pz -0.023335 -0.006340 -0.004295 -0.045688 0.013273 -0.008655 26O 1px 0.035749 -0.066894 -0.059947 0.027148 -0.002604 0.055974 26O 1py -0.004061 -0.016593 0.032065 0.035640 0.006638 -0.092721 26O 2pz -0.044897 0.013401 -0.024519 -0.134036 0.006660 -0.026758 26O 2px 0.016260 -0.070344 -0.060857 0.004892 -0.032333 0.037145 26O 2py -0.027487 -0.013728 0.090799 0.040557 -0.030708 -0.233174 26O 3pz 0.065482 -0.235987 0.153856 0.747787 0.000062 0.200397 26O 3px -0.284913 -0.032160 0.367158 -0.495426 -0.594819 -0.800043 26O 3py -0.062446 -0.130744 -0.158070 -0.016518 -0.104649 0.398539 26O 1dz2 0.000606 0.001727 -0.001925 0.000333 0.001284 0.002957 26O 1dxz 0.002612 -0.000143 0.001384 0.002769 0.001155 -0.000062 26O 1dyz 0.000005 0.000593 0.001009 -0.002111 -0.000225 -0.001143 26O 1dx2y2 -0.001122 -0.000810 0.003759 -0.003335 -0.000330 -0.006671 26O 1dxy -0.000793 -0.001870 0.000091 -0.002861 -0.000776 -0.001775 26O 2dz2 -0.004396 0.002633 0.019763 -0.002096 -0.020167 -0.029667 26O 2dxz 0.007466 0.000565 0.004807 -0.001634 0.005219 0.000602 26O 2dyz -0.004505 -0.012801 -0.005137 -0.003835 0.004732 -0.003782 26O 2dx2y2 0.022031 -0.010274 -0.011131 0.011268 0.005921 0.013855 26O 2dxy 0.007241 -0.011212 -0.017895 0.004698 0.010696 0.013789 26O 1f0 0.000519 0.000549 0.000540 -0.000245 0.000298 0.000195 26O 1f+1 0.001294 -0.000119 -0.000723 0.000524 0.000672 0.001559 26O 1f-1 -0.000228 -0.000385 -0.000134 0.000746 0.001168 0.000445 26O 1f+2 0.000185 -0.000136 -0.000167 -0.000401 -0.000248 -0.000739 26O 1f-2 -0.000271 -0.000551 -0.000298 0.000825 -0.000978 -0.000051 26O 1f+3 0.001100 -0.000768 -0.000491 0.000575 -0.001099 0.000851 26O 1f-3 0.001028 -0.000123 -0.001704 0.000199 0.001725 0.002041 27O 1s -0.006449 -0.001744 -0.000548 0.001550 -0.005173 -0.004325 27O 2s -0.015350 -0.004324 -0.000919 0.004689 -0.012166 -0.010652 27O 3s 0.019880 0.009971 -0.004671 -0.023045 0.011375 0.016466 27O 4s 0.092544 -0.028088 0.047183 0.127891 0.046743 0.064132 27O 5s -0.244754 0.422487 -0.149729 -1.098368 0.305370 -0.135399 27O 1pz 0.028793 0.008929 -0.016536 -0.012957 -0.002458 0.058373 27O 1px -0.027095 0.052014 -0.016196 -0.027354 0.039273 -0.045177 27O 1py 0.000414 -0.000915 -0.043975 -0.031885 0.021264 0.095416 27O 2pz 0.046635 0.013971 -0.045971 -0.012760 -0.022052 0.119408 27O 2px -0.003689 0.057172 -0.016725 -0.013975 0.017628 -0.051182 27O 2py 0.005879 0.026979 -0.094264 -0.116699 0.034166 0.172486 27O 3pz -0.053402 0.074375 0.165505 -0.327360 0.188633 -0.364382 27O 3px 0.084669 -0.024034 -0.008880 0.413579 -0.343338 -0.083078 27O 3py -0.137595 -0.261087 0.266462 0.700337 -0.060851 -0.325856 27O 1dz2 0.000724 -0.000550 -0.000661 -0.002397 0.002374 0.001750 27O 1dxz -0.001335 -0.001116 0.001643 -0.000982 0.000149 -0.002502 27O 1dyz 0.001264 0.002358 -0.000514 -0.002790 0.002432 -0.000422 27O 1dx2y2 -0.000122 0.001288 0.000635 0.002007 -0.004593 -0.003142 27O 1dxy 0.000467 -0.001413 0.001575 0.000224 0.000359 -0.001494 27O 2dz2 0.006975 -0.011256 0.004226 0.006426 -0.004752 -0.000179 27O 2dxz 0.000136 -0.010788 0.006953 0.004483 -0.007814 0.003028 27O 2dyz -0.000230 -0.008373 -0.002346 0.001493 -0.000434 0.018733 27O 2dx2y2 -0.018070 0.001267 0.005399 -0.005794 0.025204 -0.009345 27O 2dxy 0.007775 -0.005931 -0.002890 -0.001046 0.001889 0.012195 27O 1f0 0.000160 -0.000762 0.000160 0.000923 0.000336 0.000759 27O 1f+1 -0.000776 0.000024 0.000358 -0.000208 0.001166 0.000132 27O 1f-1 0.000187 0.000250 -0.000324 0.000011 -0.000144 0.000231 27O 1f+2 -0.000556 0.000596 -0.000678 0.000784 -0.000028 -0.000164 27O 1f-2 -0.000202 -0.000179 0.000083 0.000946 0.000011 0.000040 27O 1f+3 -0.000660 0.000781 -0.000300 -0.000984 0.002276 -0.000039 27O 1f-3 0.000097 0.000133 0.000009 -0.000203 0.000113 -0.000310 28O 1s -0.003551 -0.001375 -0.000352 -0.004549 0.005186 0.000464 28O 2s -0.008588 -0.002833 -0.000203 -0.012096 0.011938 0.000937 28O 3s 0.013937 -0.004176 -0.010428 0.036456 -0.005176 0.005632 28O 4s 0.026703 0.075422 0.085034 -0.114735 -0.072129 -0.048599 28O 5s 0.031559 -0.486534 -0.268165 1.329396 -0.383730 0.052620 28O 1pz 0.021542 0.024052 0.033102 -0.016632 -0.014552 0.019760 28O 1px -0.006443 0.052200 0.044585 -0.048020 0.029552 -0.018092 28O 1py -0.030480 -0.014879 -0.025445 0.006920 0.017029 0.029412 28O 2pz 0.034685 0.056191 0.057504 -0.084902 0.027717 0.035925 28O 2px -0.020996 0.070059 0.063647 -0.077734 0.016017 -0.053753 28O 2py -0.044318 -0.014767 -0.047938 -0.005046 0.038544 0.038241 28O 3pz 0.051256 -0.117983 -0.056789 0.252250 0.088073 0.293590 28O 3px 0.022234 -0.225471 -0.149094 0.803744 -0.539351 -0.050557 28O 3py 0.025108 0.000674 0.089116 0.256133 -0.109813 0.071366 28O 1dz2 0.000242 -0.001686 -0.000404 0.000793 0.000631 0.000475 28O 1dxz -0.001383 0.001275 -0.001016 0.001844 -0.004418 -0.004104 28O 1dyz -0.001129 0.000771 0.001416 -0.002719 0.001066 -0.001325 28O 1dx2y2 0.000140 0.000161 0.000459 -0.003743 0.004914 0.001270 28O 1dxy -0.000335 -0.000638 -0.000352 -0.001708 0.001649 -0.000240 28O 2dz2 -0.013292 -0.001794 0.005205 -0.001808 0.001410 -0.004210 28O 2dxz -0.003376 0.007287 0.002518 -0.006203 0.019866 0.009421 28O 2dyz 0.006440 0.002195 0.001250 -0.004335 0.006244 0.012956 28O 2dx2y2 -0.003159 -0.014691 -0.007517 0.015677 -0.024915 -0.001475 28O 2dxy 0.004892 -0.002191 -0.001803 0.002592 0.004356 0.008629 28O 1f0 0.000568 -0.000750 -0.000409 0.000404 -0.000787 0.000464 28O 1f+1 -0.000572 0.000167 0.001076 -0.000205 -0.001569 -0.001017 28O 1f-1 -0.000137 -0.000218 0.000347 0.001340 -0.000507 0.000998 28O 1f+2 -0.000147 0.000647 0.000724 -0.000761 0.002057 0.000589 28O 1f-2 -0.000157 0.000260 0.000133 0.000066 0.000564 0.000078 28O 1f+3 -0.000275 0.000669 0.000303 -0.000311 0.001443 0.000426 28O 1f-3 -0.000059 0.000312 -0.000351 0.000096 0.000106 -0.000873 29O 1s 0.010624 0.005851 0.003354 0.006483 0.022156 -0.001407 29O 2s 0.023892 0.013286 0.007621 0.014460 0.050474 -0.003235 29O 3s -0.003672 -0.004036 -0.003516 -0.000908 -0.022450 0.002852 29O 4s -0.246367 -0.119840 -0.079948 -0.168546 -0.499920 0.035533 29O 5s 0.000277 -0.067188 0.064928 0.092581 0.187281 -0.074810 29O 1pz 0.002895 -0.017730 0.019132 0.076532 0.023489 -0.010764 29O 1px -0.025893 -0.019522 -0.002610 0.011798 -0.073776 0.008302 29O 1py -0.016068 -0.018493 0.000774 -0.009777 -0.066364 -0.001416 29O 2pz 0.011021 -0.022506 0.061852 0.154017 0.072181 -0.054423 29O 2px -0.076626 -0.055925 -0.000066 0.016946 -0.238391 0.017155 29O 2py -0.038564 -0.046774 -0.002745 -0.017077 -0.171240 0.007335 29O 3pz -0.023536 0.044967 0.035662 -0.064231 -0.232702 0.151579 29O 3px 0.082851 0.083070 0.075434 0.032051 0.764389 -0.121931 29O 3py 0.313229 0.254777 0.005543 0.098711 0.599257 0.016090 29O 1dz2 0.001476 0.000671 0.001373 0.003127 0.000578 0.000367 29O 1dxz 0.001455 0.000994 -0.000392 -0.001279 0.000629 0.000071 29O 1dyz -0.000420 0.000063 0.002071 0.002913 -0.000493 0.000136 29O 1dx2y2 -0.000255 -0.000315 0.000195 -0.000413 -0.000313 -0.000380 29O 1dxy -0.001304 -0.000584 0.000660 0.000581 0.000886 -0.000794 29O 2dz2 0.003636 -0.003512 -0.013514 0.000967 0.003506 0.013597 29O 2dxz -0.001262 0.006107 0.017520 -0.001614 0.004691 -0.015150 29O 2dyz -0.002484 -0.006477 -0.006191 -0.000161 -0.008068 0.002011 29O 2dx2y2 -0.003212 0.002181 0.002005 -0.007904 -0.011250 -0.002391 29O 2dxy 0.012965 0.009228 -0.005988 0.000846 0.027748 0.001984 29O 1f0 0.001466 0.001100 0.000273 0.000595 0.001608 0.000170 29O 1f+1 -0.000840 -0.000258 0.001114 0.000053 -0.000714 -0.001115 29O 1f-1 0.001578 0.001497 0.000891 0.000418 0.002154 -0.000643 29O 1f+2 -0.000590 -0.000873 -0.000836 0.000277 -0.000759 0.000800 29O 1f-2 0.001444 0.000571 -0.001486 0.000222 0.001745 0.001231 29O 1f+3 -0.000861 -0.000258 0.000558 -0.000531 -0.001376 -0.000527 29O 1f-3 -0.000515 -0.000134 0.000576 -0.000204 -0.000258 -0.000570 30O 1s 0.002642 0.000004 0.000537 0.001255 -0.002131 0.002873 30O 2s 0.006537 -0.000301 0.001037 0.004162 -0.005782 0.007817 30O 3s -0.015985 0.003083 0.005502 -0.024995 0.022385 -0.020946 30O 4s -0.010329 -0.051972 -0.015854 0.141670 -0.033258 0.070674 30O 5s 0.148326 0.840164 -0.359405 -1.237375 -0.458238 -1.112468 30O 1pz -0.037040 -0.004683 0.041546 -0.044020 0.000111 0.002227 30O 1px 0.002971 -0.061693 0.044940 0.029217 -0.027142 0.030471 30O 1py 0.009459 0.012299 0.033403 -0.025584 0.006115 -0.048205 30O 2pz -0.067805 -0.034380 0.108726 -0.043831 0.009955 0.041726 30O 2px 0.018865 -0.067942 0.044455 0.047440 -0.053258 0.012252 30O 2py 0.047004 0.072971 0.017785 -0.112045 -0.036354 -0.099666 30O 3pz -0.121632 -0.182618 -0.119295 0.048872 0.378796 0.312314 30O 3px 0.327817 0.509159 -0.300282 -0.714536 -0.517042 -0.573112 30O 3py 0.112954 -0.074906 -0.101055 0.505038 -0.135830 -0.138772 30O 1dz2 0.002162 0.000812 -0.002194 -0.001361 -0.001218 0.000044 30O 1dxz 0.002007 0.001897 -0.001334 -0.001909 -0.001280 -0.005631 30O 1dyz 0.000699 0.000289 -0.000734 -0.002001 0.000150 -0.003332 30O 1dx2y2 -0.002975 -0.003008 0.001178 0.002400 0.000780 0.001729 30O 1dxy -0.002107 0.000805 0.002297 -0.000844 0.000254 0.002813 30O 2dz2 0.005487 -0.000405 0.006314 0.008834 0.000580 -0.006791 30O 2dxz -0.004176 -0.017401 0.012728 0.011141 0.018884 0.019412 30O 2dyz 0.003467 -0.009479 0.006857 0.003493 0.002190 0.002666 30O 2dx2y2 0.003807 0.015367 -0.007543 -0.001846 0.002912 -0.011768 30O 2dxy 0.012405 0.019231 -0.012873 -0.004281 -0.015912 -0.019601 30O 1f0 0.000630 0.001043 -0.001163 0.000929 -0.000806 -0.000889 30O 1f+1 0.000531 0.000364 0.000643 0.000121 0.000212 -0.000709 30O 1f-1 0.000156 0.000203 -0.000044 0.000587 -0.000269 -0.000801 30O 1f+2 0.000044 -0.001009 0.000485 0.001588 -0.000319 0.000237 30O 1f-2 -0.000938 -0.001244 0.000555 0.000437 0.001783 0.001140 30O 1f+3 0.000612 -0.000316 -0.000575 -0.000283 -0.001648 0.000065 30O 1f-3 -0.000528 -0.001589 0.001223 0.000485 0.000535 0.001522 31O 1s 0.002420 -0.000158 -0.000394 0.001416 0.002225 0.002861 31O 2s 0.005972 -0.000681 -0.000697 0.004568 0.006085 0.007704 31O 3s -0.014599 0.003467 -0.006240 -0.025938 -0.023062 -0.018816 31O 4s -0.010384 -0.049613 0.013225 0.141188 0.042640 0.063892 31O 5s 0.154505 0.826243 0.401361 -1.227535 0.274526 -1.186152 31O 1pz 0.034212 0.004111 0.042637 0.043826 0.000530 -0.002444 31O 1px -0.002011 0.061502 0.046859 -0.029399 -0.033045 -0.027563 31O 1py -0.012171 -0.012566 0.032488 0.025642 0.011938 0.048705 31O 2pz 0.062081 0.032779 0.112461 0.043600 0.001621 -0.044572 31O 2px -0.017394 0.067489 0.044907 -0.048604 -0.053788 -0.005987 31O 2py -0.051363 -0.072523 0.013802 0.111706 -0.020749 0.107828 31O 3pz 0.131982 0.184324 -0.103079 -0.041368 0.326063 -0.364759 31O 3px -0.313113 -0.501245 -0.333452 0.709913 -0.418200 0.666941 31O 3py -0.090108 0.076113 -0.115232 -0.511334 -0.104763 0.157087 31O 1dz2 0.002014 0.000841 0.002312 -0.001359 0.001151 -0.000183 31O 1dxz 0.002074 0.001974 0.001568 -0.001918 0.000355 -0.005974 31O 1dyz 0.000621 0.000361 0.000815 -0.002035 -0.000577 -0.003508 31O 1dx2y2 -0.003012 -0.002984 -0.001424 0.002403 -0.000404 0.001962 31O 1dxy -0.001865 0.000756 -0.002479 -0.000834 0.000238 0.002993 31O 2dz2 0.005135 -0.000561 -0.005992 0.008812 -0.001127 -0.006880 31O 2dxz -0.004482 -0.017541 -0.013800 0.010740 -0.014540 0.022404 31O 2dyz 0.003313 -0.009399 -0.007039 0.003247 -0.000804 0.003072 31O 2dx2y2 0.003961 0.015411 0.008078 -0.001961 -0.004642 -0.012061 31O 2dxy 0.012043 0.019026 0.014443 -0.003924 0.011401 -0.022379 31O 1f0 -0.000627 -0.001044 -0.001243 -0.000960 -0.000589 0.001015 31O 1f+1 -0.000504 -0.000344 0.000595 -0.000123 0.000323 0.000690 31O 1f-1 -0.000170 -0.000183 -0.000060 -0.000593 -0.000112 0.000824 31O 1f+2 -0.000042 0.001035 0.000487 -0.001603 -0.000364 -0.000244 31O 1f-2 0.000913 0.001236 0.000651 -0.000396 0.001496 -0.001431 31O 1f+3 -0.000574 0.000319 -0.000611 0.000242 -0.001605 0.000142 31O 1f-3 0.000567 0.001611 0.001288 -0.000468 0.000226 -0.001636 32O 1s 0.011150 0.005903 -0.002602 0.006314 -0.022070 0.001991 32O 2s 0.025098 0.013415 -0.005939 0.014058 -0.050296 0.004495 32O 3s -0.004339 -0.004259 0.003451 -0.000466 0.022816 -0.000428 32O 4s -0.257096 -0.119827 0.061246 -0.167063 0.496893 -0.045250 32O 5s -0.000231 -0.070895 -0.061470 0.100346 -0.189928 -0.022074 32O 1pz -0.002283 0.018236 0.017451 -0.072979 0.027367 0.009404 32O 1px 0.028320 0.019907 -0.001389 -0.010874 -0.072901 0.004048 32O 1py 0.016811 0.019898 0.001657 0.004978 -0.066002 0.006710 32O 2pz -0.009072 0.024366 0.058387 -0.146654 0.086010 0.048085 32O 2px 0.082821 0.057574 0.003600 -0.016969 -0.234831 0.020036 32O 2py 0.040231 0.049504 0.000130 0.006988 -0.171568 0.009653 32O 3pz 0.042367 -0.033322 0.043465 0.054215 -0.254499 -0.114969 32O 3px -0.087953 -0.081748 0.073071 -0.025583 0.768207 0.003537 32O 3py -0.325084 -0.262527 -0.012401 -0.080063 0.593731 -0.079638 32O 1dz2 0.001500 0.000622 -0.001169 0.002968 -0.000669 0.000372 32O 1dxz 0.001605 0.001067 0.000549 -0.001319 -0.000504 0.000159 32O 1dyz -0.000590 -0.000058 -0.002153 0.002958 0.000286 -0.000033 32O 1dx2y2 -0.000218 -0.000303 -0.000151 -0.000441 0.000298 -0.000313 32O 1dxy -0.001395 -0.000629 -0.000732 0.000514 -0.001060 -0.000629 32O 2dz2 0.004341 -0.002587 0.013322 0.000546 -0.001193 0.013979 32O 2dxz -0.002271 0.005199 -0.017806 -0.001480 -0.006978 -0.014045 32O 2dyz -0.001752 -0.006181 0.006610 -0.000201 0.008615 0.001582 32O 2dx2y2 -0.003949 0.001945 -0.002600 -0.008159 0.010741 -0.004381 32O 2dxy 0.013137 0.009843 0.006441 -0.000230 -0.026910 0.004738 32O 1f0 -0.001365 -0.001008 0.000156 -0.000505 0.001457 -0.000327 32O 1f+1 0.000986 0.000368 0.001198 -0.000076 -0.000594 0.001219 32O 1f-1 -0.001620 -0.001486 0.000761 -0.000427 0.002311 0.000335 32O 1f+2 0.000653 0.000906 -0.000800 -0.000260 -0.000999 -0.000683 32O 1f-2 -0.001509 -0.000625 -0.001582 -0.000173 0.001457 -0.001402 32O 1f+3 0.000863 0.000275 0.000559 0.000511 -0.001215 0.000644 32O 1f-3 0.000563 0.000137 0.000648 0.000222 -0.000132 0.000627 33O 1s -0.003540 -0.001390 0.000156 -0.004654 -0.005275 0.000952 33O 2s -0.008597 -0.002881 -0.000248 -0.012339 -0.012170 0.002097 33O 3s 0.014575 -0.003896 0.010769 0.036540 0.006427 0.004563 33O 4s 0.023277 0.074451 -0.080842 -0.113891 0.069250 -0.050600 33O 5s 0.026667 -0.489685 0.256121 1.347851 0.358414 -0.013044 33O 1pz -0.023084 -0.024365 0.031027 0.016356 -0.016616 -0.018380 33O 1px 0.006674 -0.051332 0.044071 0.049247 0.030424 0.015550 33O 1py 0.035605 0.014928 -0.023065 -0.005789 0.012347 -0.031984 33O 2pz -0.037642 -0.056720 0.053816 0.085736 0.019223 -0.038167 33O 2px 0.021037 -0.068990 0.063511 0.078021 0.022431 0.053822 33O 2py 0.052991 0.015175 -0.044377 0.006967 0.030787 -0.043342 33O 3pz -0.058896 0.114776 -0.053073 -0.245592 0.062609 -0.317248 33O 3px -0.008179 0.231876 -0.142939 -0.817716 -0.508609 0.113591 33O 3py -0.037271 -0.003407 0.082374 -0.258355 -0.098006 -0.061694 33O 1dz2 0.000298 -0.001615 0.000359 0.000750 -0.000728 0.000658 33O 1dxz -0.001406 0.001256 0.000969 0.001998 0.003834 -0.004596 33O 1dyz -0.001140 0.000720 -0.001384 -0.002754 -0.001300 -0.001111 33O 1dx2y2 0.000175 0.000162 -0.000413 -0.003867 -0.004581 0.001749 33O 1dxy -0.000362 -0.000603 0.000227 -0.001728 -0.001463 -0.000091 33O 2dz2 -0.014103 -0.002136 -0.005700 -0.001614 -0.002014 -0.004048 33O 2dxz -0.003144 0.007099 -0.002558 -0.006825 -0.017429 0.011733 33O 2dyz 0.006534 0.002320 -0.001052 -0.004250 -0.004433 0.013554 33O 2dx2y2 -0.003479 -0.014944 0.007205 0.016351 0.024231 -0.004310 33O 2dxy 0.005145 -0.001857 0.002179 0.002557 -0.003112 0.009122 33O 1f0 -0.000622 0.000711 -0.000403 -0.000430 -0.000842 -0.000384 33O 1f+1 0.000635 -0.000133 0.001094 0.000170 -0.001383 0.001233 33O 1f-1 0.000135 0.000225 0.000355 -0.001355 -0.000586 -0.000942 33O 1f+2 0.000113 -0.000650 0.000731 0.000827 0.001881 -0.000807 33O 1f-2 0.000191 -0.000255 0.000154 -0.000056 0.000546 -0.000144 33O 1f+3 0.000302 -0.000665 0.000315 0.000348 0.001351 -0.000585 33O 1f-3 0.000065 -0.000311 -0.000350 -0.000097 0.000238 0.000873 34O 1s -0.006534 -0.001824 0.000321 0.001537 0.004703 -0.005241 34O 2s -0.015570 -0.004515 0.000367 0.004663 0.011016 -0.012778 34O 3s 0.020548 0.010279 0.005665 -0.023191 -0.009822 0.017625 34O 4s 0.091382 -0.027602 -0.045302 0.129471 -0.040205 0.078098 34O 5s -0.235327 0.408647 0.133313 -1.097122 -0.292449 -0.070051 34O 1pz -0.025055 -0.008585 -0.018571 0.012723 -0.011014 -0.057857 34O 1px 0.025097 -0.052144 -0.015374 0.027911 0.042517 0.040305 34O 1py 0.002198 0.001114 -0.043108 0.032213 0.007027 -0.099198 34O 2pz -0.040754 -0.013868 -0.049703 0.012323 -0.038908 -0.116610 34O 2px 0.001834 -0.057699 -0.018214 0.015075 0.023645 0.053358 34O 2py -0.002567 -0.025929 -0.092417 0.116882 0.006398 -0.180876 34O 3pz 0.040991 -0.073534 0.172942 0.330095 0.228904 0.339413 34O 3px -0.093480 0.016563 -0.015844 -0.411313 -0.312481 0.155868 34O 3py 0.136282 0.259434 0.266231 -0.702543 0.003324 0.337615 34O 1dz2 0.000666 -0.000488 0.000689 -0.002384 -0.002040 0.002238 34O 1dxz -0.001114 -0.001070 -0.001756 -0.000991 -0.000362 -0.002455 34O 1dyz 0.001258 0.002372 0.000588 -0.002819 -0.002446 -0.000098 34O 1dx2y2 0.000029 0.001276 -0.000585 0.002024 0.004007 -0.003947 34O 1dxy 0.000411 -0.001347 -0.001495 0.000243 -0.000681 -0.001343 34O 2dz2 0.006122 -0.011442 -0.003863 0.006312 0.003430 -0.001512 34O 2dxz -0.000602 -0.010954 -0.007080 0.004582 0.007899 0.001818 34O 2dyz -0.000190 -0.008252 0.002125 0.001525 0.003386 0.018843 34O 2dx2y2 -0.017950 0.000984 -0.006585 -0.005910 -0.025708 -0.005104 34O 2dxy 0.007501 -0.005768 0.003362 -0.001124 -0.000758 0.011970 34O 1f0 -0.000096 0.000795 0.000162 -0.000907 0.000265 -0.000781 34O 1f+1 0.000756 -0.000022 0.000419 0.000202 0.001106 -0.000352 34O 1f-1 -0.000224 -0.000262 -0.000337 -0.000010 -0.000182 -0.000185 34O 1f+2 0.000449 -0.000624 -0.000663 -0.000781 -0.000002 0.000180 34O 1f-2 0.000210 0.000213 0.000082 -0.000946 0.000032 -0.000021 34O 1f+3 0.000689 -0.000781 -0.000239 0.000996 0.002207 -0.000334 34O 1f-3 -0.000054 -0.000142 -0.000021 0.000220 0.000206 0.000391 35O 1s 0.001249 0.000201 0.000851 -0.000245 -0.001276 -0.003647 35O 2s 0.003019 0.000639 0.002144 -0.001547 -0.003543 -0.009134 35O 3s -0.006059 -0.006173 -0.006019 0.018863 0.014912 0.014239 35O 4s -0.034724 0.047400 -0.035459 -0.151048 -0.029989 -0.022113 35O 5s 0.411325 -0.474608 0.429456 1.065099 -0.356961 1.145170 35O 1pz 0.025019 0.007262 -0.002372 0.045375 0.013012 0.008523 35O 1px -0.037461 0.066266 -0.059970 -0.028169 -0.014004 -0.053199 35O 1py 0.003986 0.016453 0.030724 -0.035651 0.020102 0.093697 35O 2pz 0.049912 -0.012131 -0.021547 0.133078 0.007745 0.029291 35O 2px -0.015723 0.070518 -0.060040 -0.006730 -0.038419 -0.032286 35O 2py 0.025632 0.014207 0.089663 -0.041178 0.004584 0.238485 35O 3pz -0.080960 0.234570 0.150636 -0.743582 -0.010063 -0.216983 35O 3px 0.292066 0.038329 0.371316 0.486618 -0.463001 0.859243 35O 3py 0.075335 0.131557 -0.150594 0.015562 -0.154017 -0.397154 35O 1dz2 0.000714 0.001805 0.001939 0.000294 -0.000763 0.002991 35O 1dxz 0.002697 -0.000082 -0.001228 0.002738 -0.001160 0.000171 35O 1dyz -0.000038 0.000574 -0.000982 -0.002121 0.000147 -0.001200 35O 1dx2y2 -0.001233 -0.000829 -0.003735 -0.003303 -0.000709 -0.006645 35O 1dxy -0.000944 -0.002005 -0.000178 -0.002814 0.000593 -0.001736 35O 2dz2 -0.004435 0.002117 -0.019732 -0.001902 0.014417 -0.031765 35O 2dxz 0.007675 0.000466 -0.004762 -0.001707 -0.004478 0.000602 35O 2dyz -0.004723 -0.012590 0.004747 -0.003876 -0.004640 -0.004267 35O 2dx2y2 0.023676 -0.009760 0.011492 0.011457 -0.002689 0.014006 35O 2dxy 0.007164 -0.011072 0.018103 0.004784 -0.007334 0.013778 35O 1f0 -0.000519 -0.000538 0.000526 0.000258 0.000252 -0.000209 35O 1f+1 -0.001379 0.000059 -0.000774 -0.000520 0.000397 -0.001623 35O 1f-1 0.000222 0.000361 -0.000122 -0.000710 0.001089 -0.000562 35O 1f+2 -0.000196 0.000121 -0.000196 0.000388 -0.000129 0.000758 35O 1f-2 0.000286 0.000546 -0.000292 -0.000830 -0.000916 0.000143 35O 1f+3 -0.001165 0.000768 -0.000492 -0.000597 -0.001253 -0.000679 35O 1f-3 -0.001070 0.000081 -0.001734 -0.000182 0.001322 -0.002209 204 205 206 207 208 209 0.50418 0.50439 0.50751 0.51029 0.51073 0.51697 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s 0.003636 -0.000393 -0.000527 -0.004526 0.004105 -0.002694 0Rh 2s -0.014047 0.000818 0.002485 0.013914 -0.016392 0.009094 0Rh 3s 0.012502 -0.001786 -0.001533 -0.017770 0.013780 -0.010074 0Rh 4s 0.063014 -0.003343 -0.011366 -0.060765 0.073804 -0.040228 0Rh 5s -0.055104 -0.003143 0.014048 0.021698 -0.069078 0.023893 0Rh 6s -0.104495 0.030430 0.001640 0.229804 -0.104709 0.112738 0Rh 7s 0.064627 -0.131944 0.014322 -1.006729 0.048802 -0.409581 0Rh 8s 0.983375 -0.140630 0.161427 0.545546 1.062660 0.252482 0Rh 1pz -0.001065 -0.002207 0.005130 -0.004949 -0.000501 0.012971 0Rh 1px 0.003394 -0.000956 0.000618 -0.003940 0.005044 0.002595 0Rh 1py 0.000319 -0.000333 0.003686 -0.004857 -0.000278 -0.005195 0Rh 2pz 0.003600 0.007379 -0.017767 0.016984 0.001681 -0.044873 0Rh 2px -0.011909 0.003188 -0.002075 0.014142 -0.017708 -0.008512 0Rh 2py -0.001393 0.001028 -0.012365 0.017031 0.001148 0.017893 0Rh 3pz -0.001669 -0.001969 0.017086 -0.013292 -0.000574 0.042030 0Rh 3px 0.014455 -0.000621 0.000748 -0.023268 0.021538 -0.001107 0Rh 3py 0.006869 0.001368 0.004142 -0.020347 -0.004722 -0.015130 0Rh 4pz -0.011822 -0.029275 0.021444 -0.032981 -0.006110 0.059089 0Rh 4px 0.002375 -0.014140 0.007724 0.021863 0.003515 0.047488 0Rh 4py -0.019615 -0.009499 0.044950 -0.005330 0.012870 -0.030242 0Rh 5pz 0.014015 0.044028 -0.002381 0.037733 0.004715 -0.018632 0Rh 5px 0.029272 0.026728 -0.016235 -0.092675 0.042702 -0.088114 0Rh 5py 0.039004 0.006461 -0.057346 -0.024755 -0.028196 0.018497 0Rh 6pz 0.111688 -0.476843 0.170318 -0.758044 0.331635 0.540597 0Rh 6px -0.366883 -0.274204 0.239690 0.661686 -0.533682 0.850666 0Rh 6py -0.088568 0.266677 0.395561 -0.162584 0.160674 -0.221831 0Rh 1dz2 0.000937 -0.030416 -0.013231 0.005191 0.003654 0.000729 0Rh 1dxz -0.000971 -0.006534 -0.009372 0.009445 0.003194 0.003926 0Rh 1dyz 0.012342 0.013597 0.013543 0.005899 -0.008153 0.001480 0Rh 1dx2y2 -0.003180 -0.017962 -0.005433 -0.009140 -0.011195 -0.011127 0Rh 1dxy -0.007670 0.003591 -0.010747 -0.009662 0.001747 0.000207 0Rh 2dz2 0.000017 0.003170 0.000284 0.000072 0.000308 -0.001648 0Rh 2dxz 0.001114 0.000193 0.001845 -0.001960 -0.000380 0.001436 0Rh 2dyz -0.000903 -0.001054 -0.001791 -0.000816 0.000731 0.000790 0Rh 2dx2y2 -0.000326 0.001767 0.000395 0.001061 0.000035 0.002241 0Rh 2dxy 0.000211 -0.000135 0.001325 0.000296 -0.000611 -0.000645 0Rh 3dz2 -0.001811 0.044453 0.023977 -0.010173 -0.008221 0.005542 0Rh 3dxz -0.002844 0.011656 0.010079 -0.009711 -0.004614 -0.013510 0Rh 3dyz -0.019445 -0.021312 -0.018124 -0.007771 0.012369 -0.006071 0Rh 3dx2y2 0.007565 0.026724 0.008648 0.012890 0.021219 0.011716 0Rh 3dxy 0.013741 -0.006240 0.014872 0.017154 -0.000703 0.002332 0Rh 4dz2 -0.000121 0.076317 0.017347 -0.003779 0.001203 -0.024168 0Rh 4dxz 0.017251 0.009250 0.036014 -0.037102 -0.006589 0.016991 0Rh 4dyz -0.027634 -0.031025 -0.041227 -0.017725 0.020351 0.008559 0Rh 4dx2y2 -0.003638 0.043519 0.011520 0.022887 0.011159 0.043137 0Rh 4dxy 0.010787 -0.005869 0.029765 0.013102 -0.011154 -0.010150 0Rh 5dz2 -0.025119 -0.034120 0.085509 -0.050869 -0.066968 0.124058 0Rh 5dxz -0.088398 0.029314 -0.079395 0.073942 -0.034547 -0.145933 0Rh 5dyz 0.008685 0.011096 0.092227 0.025244 -0.022175 -0.046857 0Rh 5dx2y2 0.087566 -0.000747 0.004190 0.015621 0.103700 -0.089983 0Rh 5dxy 0.043648 -0.014388 -0.013305 0.069676 0.044990 0.059232 0Rh 1f0 0.000028 -0.000989 -0.003978 -0.000078 0.004778 -0.001955 0Rh 1f+1 -0.000161 -0.000654 -0.005861 -0.000376 -0.007060 -0.009020 0Rh 1f-1 -0.002162 0.004729 -0.002438 -0.008086 0.002683 0.005422 0Rh 1f+2 -0.008391 -0.002573 -0.003563 -0.005520 -0.005847 -0.005065 0Rh 1f-2 0.008760 0.004125 -0.004888 -0.003866 -0.010371 0.002833 0Rh 1f+3 -0.005633 0.002806 0.001136 -0.005216 -0.005648 -0.003266 0Rh 1f-3 -0.009739 -0.002164 0.003560 0.001506 0.001117 -0.001972 1Rh 1s -0.003714 0.000510 -0.000163 -0.003709 -0.004755 -0.002816 1Rh 2s 0.014161 -0.002546 0.000998 0.010819 0.018395 0.009413 1Rh 3s -0.012882 0.001399 -0.000334 -0.014925 -0.016330 -0.010591 1Rh 4s -0.063437 0.011690 -0.004660 -0.046906 -0.082556 -0.041590 1Rh 5s 0.053878 -0.015188 0.007483 0.010125 0.072263 0.023732 1Rh 6s 0.111711 0.000996 -0.006657 0.204433 0.137553 0.120564 1Rh 7s -0.107863 -0.076120 0.001559 -0.954410 -0.194013 -0.461561 1Rh 8s -0.965913 0.071836 0.263797 0.712631 -0.958859 0.258023 1Rh 1pz -0.001185 0.002366 -0.005119 0.005036 0.000019 -0.013036 1Rh 1px 0.003302 0.000158 -0.001038 0.003041 0.005585 -0.002545 1Rh 1py 0.000253 0.000336 -0.003756 0.004904 0.000380 0.005041 1Rh 2pz 0.004090 -0.007926 0.017733 -0.017269 -0.000093 0.045098 1Rh 2px -0.011574 -0.000374 0.003543 -0.010969 -0.019652 0.008316 1Rh 2py -0.001152 -0.000990 0.012608 -0.017222 -0.001189 -0.017360 1Rh 3pz -0.003552 0.002367 -0.017148 0.013256 0.000608 -0.042262 1Rh 3px 0.013756 -0.003061 -0.002361 0.019098 0.024833 0.001731 1Rh 3py 0.006429 -0.002296 -0.004412 0.021115 -0.001366 0.014596 1Rh 4pz -0.006863 0.030540 -0.020979 0.034481 -0.001813 -0.059238 1Rh 4px 0.003650 0.014673 -0.008720 -0.021208 0.000053 -0.049044 1Rh 4py -0.019294 0.012898 -0.045115 0.003249 0.011423 0.029717 1Rh 5pz 0.003044 -0.045084 0.001352 -0.038809 -0.001515 0.017735 1Rh 5px 0.024496 -0.036565 0.014514 0.081743 0.057164 0.092874 1Rh 5py 0.039978 -0.012768 0.057061 0.029455 -0.020897 -0.019090 1Rh 6pz 0.189819 0.441085 -0.175756 0.681402 0.441045 -0.511939 1Rh 6px -0.313381 0.418442 -0.230130 -0.522860 -0.643080 -0.933502 1Rh 6py -0.171790 -0.251227 -0.392126 0.134107 0.174507 0.231608 1Rh 1dz2 -0.007769 -0.029414 -0.012606 0.005917 -0.003216 0.000861 1Rh 1dxz -0.000201 -0.006424 -0.009067 0.009557 -0.002040 0.003919 1Rh 1dyz -0.008946 0.015513 0.013492 0.004462 0.009727 0.001738 1Rh 1dx2y2 -0.000745 -0.018724 -0.005542 -0.011298 0.009524 -0.010559 1Rh 1dxy 0.007835 0.002708 -0.011032 -0.008870 -0.003879 0.000031 1Rh 2dz2 0.000617 0.003083 0.000268 0.000110 -0.000318 -0.001668 1Rh 2dxz -0.000978 0.000417 0.001881 -0.001976 0.000151 0.001448 1Rh 2dyz 0.000639 -0.001181 -0.001774 -0.000678 -0.000955 0.000768 1Rh 2dx2y2 0.000731 0.001697 0.000331 0.001094 0.000111 0.002191 1Rh 2dxy -0.000193 -0.000153 0.001315 0.000152 0.000724 -0.000627 1Rh 3dz2 0.012126 0.042923 0.022857 -0.011708 0.007431 0.005376 1Rh 3dxz 0.004511 0.010505 0.009345 -0.009884 0.003378 -0.013544 1Rh 3dyz 0.014123 -0.024375 -0.018094 -0.005625 -0.014413 -0.006469 1Rh 3dx2y2 -0.001802 0.028497 0.009138 0.016867 -0.018662 0.010841 1Rh 3dxy -0.014128 -0.004468 0.015462 0.016262 0.004292 0.002590 1Rh 4dz2 0.016172 0.074206 0.016548 -0.003914 -0.001714 -0.024552 1Rh 4dxz -0.014122 0.012372 0.036295 -0.037079 0.002284 0.017149 1Rh 4dyz 0.019949 -0.035196 -0.040913 -0.014023 -0.025292 0.007987 1Rh 4dx2y2 0.013365 0.042861 0.010528 0.025487 -0.007590 0.041815 1Rh 4dxy -0.010686 -0.005308 0.029870 0.010139 0.014716 -0.009712 1Rh 5dz2 0.023258 -0.038810 0.080396 -0.061653 0.064007 0.124148 1Rh 5dxz 0.084830 0.010062 -0.086233 0.067566 0.041608 -0.146560 1Rh 5dyz -0.005993 0.012228 0.090390 0.020491 0.032511 -0.047359 1Rh 5dx2y2 -0.087843 0.018142 0.013658 0.031908 -0.098425 -0.089753 1Rh 5dxy -0.046723 -0.004801 -0.009768 0.076294 -0.032916 0.059130 1Rh 1f0 0.000773 0.000983 0.003743 -0.000638 0.005042 0.001981 1Rh 1f+1 0.000704 0.000731 0.006202 0.001547 -0.006563 0.008920 1Rh 1f-1 -0.003428 -0.004118 0.002443 0.007579 0.004142 -0.005363 1Rh 1f+2 -0.007164 0.004305 0.004213 0.006516 -0.004604 0.005072 1Rh 1f-2 0.008004 -0.005914 0.004995 0.005372 -0.009358 -0.003040 1Rh 1f+3 -0.006188 -0.001475 -0.000550 0.006157 -0.004870 0.003257 1Rh 1f-3 -0.009127 0.004188 -0.003119 -0.001566 0.000638 0.002061 2C 1s 0.003972 0.003605 -0.004613 0.016910 -0.001811 0.007979 2C 2s 0.009674 0.007474 -0.010805 0.038956 -0.004382 0.017562 2C 3s -0.012480 0.019217 0.005156 -0.053937 0.001656 -0.019444 2C 4s 0.037456 -0.262701 0.067955 -0.241488 0.073499 -0.211982 2C 5s -1.903004 1.159097 2.489474 3.218934 0.603237 3.961302 2C 1pz -0.009270 -0.044521 0.021402 0.017422 -0.042314 0.017728 2C 1px 0.073697 0.111403 -0.154799 0.018592 0.106951 -0.036498 2C 1py 0.037364 0.039360 -0.000336 0.040728 0.012886 0.013119 2C 2pz 0.007368 -0.134663 0.096303 0.288269 -0.144654 0.180733 2C 2px 0.289250 0.425992 -0.574795 0.152458 0.334319 -0.138583 2C 2py 0.153286 0.101880 -0.038763 0.310506 0.036998 0.105929 2C 3pz -0.403990 0.423703 0.545338 0.753188 0.620412 0.955020 2C 3px -0.362666 -0.622400 1.310788 0.278148 -0.756998 0.638599 2C 3py -0.486758 -0.239038 0.132520 0.187886 0.165673 0.406434 2C 1dz2 0.000081 -0.000056 -0.000953 0.001679 0.000436 0.000190 2C 1dxz -0.003632 -0.000190 0.001153 -0.001721 0.001698 0.002686 2C 1dyz -0.000230 -0.001139 0.002883 0.002753 -0.000626 0.001909 2C 1dx2y2 0.000121 -0.003266 0.001217 -0.000589 -0.002476 0.000050 2C 1dxy -0.000496 0.001153 0.001113 -0.000735 0.000334 0.000620 2C 2dz2 0.054729 0.041178 -0.073054 0.047262 0.060811 0.037188 2C 2dxz -0.074575 -0.061827 0.060368 0.057954 -0.070218 -0.000436 2C 2dyz 0.029392 0.032781 -0.006561 0.104434 -0.009710 0.037689 2C 2dx2y2 -0.032410 -0.029253 0.016729 -0.017040 -0.022020 -0.022040 2C 2dxy -0.073107 -0.098539 0.049008 0.049826 -0.053174 0.016475 2C 1f0 0.005526 0.010183 -0.004269 -0.002634 0.009089 0.000314 2C 1f+1 0.001474 0.001917 -0.002804 0.003723 -0.001816 -0.001705 2C 1f-1 -0.002603 -0.004357 0.004378 0.002274 -0.000900 0.004025 2C 1f+2 -0.001683 -0.001858 0.005145 0.004594 -0.007405 0.001371 2C 1f-2 -0.006476 -0.006506 0.007113 -0.001750 -0.004655 -0.001641 2C 1f+3 0.003992 0.002281 -0.003107 0.011837 -0.003218 0.002423 2C 1f-3 0.006090 0.006509 -0.009296 0.001723 0.005678 -0.000781 3C 1s -0.001435 -0.005701 -0.001814 0.014332 0.002090 0.000491 3C 2s -0.004174 -0.011923 -0.004582 0.032807 0.005659 0.001366 3C 3s 0.015245 -0.022792 0.012180 -0.054557 -0.016836 -0.034514 3C 4s -0.097956 0.388892 0.021175 -0.135894 0.135111 0.216074 3C 5s 1.722247 -2.514712 -0.791003 3.095292 -2.617614 1.853213 3C 1pz -0.036447 -0.041739 -0.050806 0.017845 -0.025042 0.035017 3C 1px 0.090726 0.008759 0.101127 0.067289 0.091963 -0.153368 3C 1py 0.029977 -0.001999 0.012316 -0.007710 0.002462 -0.043092 3C 2pz -0.143874 -0.104032 -0.185521 0.196541 -0.070054 0.210395 3C 2px 0.265234 0.054627 0.338466 0.317339 0.338885 -0.535230 3C 2py 0.130381 0.039189 0.099113 -0.251412 -0.020904 -0.244528 3C 3pz 0.416459 0.315284 0.438307 0.273839 -0.085340 0.150059 3C 3px -0.461065 -0.097340 -0.747962 -0.124290 -0.623316 1.429165 3C 3py -0.696090 0.552574 0.062872 -1.039078 0.613032 -0.381372 3C 1dz2 -0.000172 -0.000410 0.000015 -0.000132 0.000817 -0.001915 3C 1dxz 0.003403 -0.001005 0.001740 0.001234 -0.000822 0.000426 3C 1dyz 0.001040 0.000304 0.001964 -0.001963 -0.000298 -0.001214 3C 1dx2y2 -0.001004 -0.001679 0.000069 -0.000971 0.000166 0.000419 3C 1dxy -0.000505 0.000683 -0.000479 -0.001457 0.002094 -0.003579 3C 2dz2 0.035006 -0.039905 0.009580 -0.019041 0.022264 -0.014171 3C 2dxz -0.018756 -0.020023 -0.013960 0.041948 -0.033312 0.011658 3C 2dyz -0.031362 0.015063 -0.017920 -0.090587 -0.041436 -0.000081 3C 2dx2y2 -0.033324 -0.000353 -0.041413 -0.082797 -0.081567 0.014552 3C 2dxy 0.086940 0.022971 0.099292 -0.014179 0.089698 -0.078299 3C 1f0 0.002178 0.001927 0.002404 -0.008119 -0.001111 -0.000801 3C 1f+1 0.005582 0.002596 0.006888 0.001220 0.005334 -0.006539 3C 1f-1 -0.000387 -0.001108 -0.001273 -0.003159 -0.001791 -0.001504 3C 1f+2 -0.004768 -0.003481 -0.000873 0.003369 0.002717 -0.007198 3C 1f-2 -0.000634 -0.004930 -0.002605 0.000344 -0.000055 0.001418 3C 1f+3 -0.006568 0.000137 -0.004924 0.000682 -0.004402 0.006042 3C 1f-3 -0.008745 0.001925 -0.007146 -0.006214 -0.009378 0.006275 4C 1s 0.003505 0.001839 -0.001218 0.004270 -0.000052 -0.000251 4C 2s 0.007271 0.004459 -0.002691 0.009818 0.000848 -0.000580 4C 3s 0.011052 -0.054794 0.020668 0.048857 -0.052162 0.053632 4C 4s -0.248812 0.410269 -0.103433 -0.504976 0.421129 -0.255502 4C 5s 1.835595 0.219364 -2.066395 -2.600521 -0.530114 -3.176077 4C 1pz 0.013780 0.044549 -0.015900 -0.079362 0.018087 -0.046278 4C 1px 0.004166 -0.118994 0.156019 -0.021394 -0.163029 0.015049 4C 1py -0.025117 -0.088989 -0.000196 -0.060944 -0.026260 -0.038487 4C 2pz -0.030847 0.135363 -0.039963 -0.249067 0.211524 -0.004625 4C 2px 0.223834 -0.237205 -0.023459 0.335462 -0.694909 -0.433613 4C 2py 0.017323 -0.041273 -0.069628 -0.026460 -0.090462 -0.172939 4C 3pz -0.590678 0.224446 1.101773 1.707477 0.629202 1.850865 4C 3px -0.743736 0.031955 -0.016715 0.125747 0.327285 0.170667 4C 3py -0.420852 0.742850 1.175683 1.172162 0.294527 1.409699 4C 1dz2 -0.004585 -0.006016 0.006075 0.001435 0.000033 0.005887 4C 1dxz 0.009389 0.001085 -0.006162 0.003473 -0.001621 -0.005002 4C 1dyz -0.000795 0.002421 0.000806 0.004294 0.002251 0.003000 4C 1dx2y2 0.000456 0.005474 -0.004130 0.000320 0.003433 -0.002600 4C 1dxy 0.004971 0.003286 -0.005856 0.003867 0.001843 -0.001851 4C 2dz2 -0.043385 0.006132 0.102225 -0.181820 0.078110 0.060307 4C 2dxz 0.007999 -0.012053 -0.078515 0.163593 -0.181606 -0.143416 4C 2dyz -0.056377 -0.015811 0.044768 -0.139127 -0.009284 -0.036661 4C 2dx2y2 0.027594 0.062233 -0.001789 0.035305 0.015782 -0.019257 4C 2dxy 0.039238 0.055122 -0.148887 0.077792 -0.104054 -0.196353 4C 1f0 0.000792 -0.002720 0.001982 0.003192 -0.004985 0.000511 4C 1f+1 0.000548 -0.003899 0.002769 0.008295 -0.002719 0.008046 4C 1f-1 -0.001839 -0.001530 0.006202 0.000759 0.004227 0.009231 4C 1f+2 -0.004681 0.005154 0.003679 -0.014604 0.012336 0.002985 4C 1f-2 0.005849 0.003538 -0.009588 0.008424 -0.005465 -0.008215 4C 1f+3 -0.004423 0.003221 0.003019 -0.008482 0.009784 0.005066 4C 1f-3 -0.005872 -0.007037 0.009767 -0.004532 0.005769 0.014791 5C 1s -0.001778 0.000647 -0.000885 0.002691 0.003207 0.002875 5C 2s -0.003787 0.001491 -0.002053 0.006058 0.006899 0.006566 5C 3s 0.019587 0.030642 -0.001260 0.075509 -0.004969 0.010650 5C 4s 0.041992 -0.328235 0.075734 -0.559902 -0.153012 -0.192045 5C 5s -1.562878 0.761395 0.198953 -3.033509 2.004307 -2.106063 5C 1pz 0.035775 0.070307 0.062444 -0.027747 0.023305 -0.055527 5C 1px -0.164403 -0.001897 -0.084108 -0.093960 -0.023969 0.131136 5C 1py -0.024585 0.016872 -0.003156 0.062869 0.005821 0.066498 5C 2pz 0.173533 0.007468 0.094641 -0.039104 0.032369 0.067292 5C 2px -0.852012 0.089206 -0.295326 -0.242845 0.096055 -0.373971 5C 2py -0.080378 0.071644 -0.032120 0.133071 -0.004328 0.001967 5C 3pz 0.478444 -1.084146 -0.564865 1.035898 -0.533766 0.772674 5C 3px 0.424488 -0.588148 -0.212903 0.711460 -0.877628 0.200150 5C 3py -0.593834 0.596545 0.282987 -1.582655 0.852914 -1.397894 5C 1dz2 0.000609 -0.000030 -0.000946 -0.002680 -0.002512 0.004054 5C 1dxz -0.001588 0.002183 -0.000349 0.002802 0.002658 -0.004266 5C 1dyz -0.001889 0.003093 0.000397 -0.004730 0.004063 -0.008443 5C 1dx2y2 -0.000949 -0.002337 0.000420 -0.003789 0.005147 -0.009340 5C 1dxy 0.000898 -0.002835 -0.001839 -0.003265 -0.006950 0.008071 5C 2dz2 0.072264 0.030480 0.010979 0.078133 -0.009872 0.094544 5C 2dxz -0.049583 0.112630 0.009140 -0.042816 -0.003141 -0.135514 5C 2dyz -0.076510 0.041785 -0.007498 0.148986 0.020817 -0.049152 5C 2dx2y2 -0.162257 0.031458 -0.018170 0.043391 0.042261 -0.113237 5C 2dxy 0.174289 -0.051126 0.050491 0.058283 0.044569 0.296151 5C 1f0 -0.008284 0.004378 -0.000537 0.001818 0.001380 -0.012416 5C 1f+1 0.012993 0.002153 0.001904 0.004284 -0.003992 0.015359 5C 1f-1 -0.003335 0.000263 0.000419 -0.001866 0.000757 -0.005367 5C 1f+2 0.005615 -0.001288 0.003144 -0.003242 -0.000696 0.002147 5C 1f-2 0.010595 -0.008674 0.001972 -0.006899 -0.003755 0.014290 5C 1f+3 0.011486 0.000416 0.001435 0.012469 -0.001761 0.006625 5C 1f-3 -0.003339 -0.003233 0.003189 -0.007305 0.003165 -0.007694 6C 1s 0.001815 0.000236 -0.000774 0.003185 -0.002722 0.002759 6C 2s 0.003921 0.000577 -0.001801 0.007101 -0.005839 0.006330 6C 3s -0.016208 0.035182 -0.001236 0.073891 0.017773 0.010393 6C 4s -0.077311 -0.322941 0.073474 -0.579900 0.054765 -0.182111 6C 5s 1.612256 0.509047 0.223342 -2.598283 -2.398866 -2.195333 6C 1pz 0.018167 -0.077317 -0.065503 0.023662 0.023035 0.054374 6C 1px -0.152972 0.034190 0.094390 0.097387 -0.002321 -0.126796 6C 1py -0.028963 -0.011154 0.004225 -0.062198 -0.002858 -0.066088 6C 2pz 0.156332 -0.045704 -0.107525 0.032499 0.031422 -0.073713 6C 2px -0.820184 0.081007 0.336699 0.224367 0.155221 0.394130 6C 2py -0.086502 -0.053377 0.036299 -0.127373 -0.022956 -0.000803 6C 3pz 0.659640 1.014658 0.567743 -0.918054 -0.635432 -0.796307 6C 3px 0.528564 0.518959 0.231521 -0.546059 -0.961269 -0.231125 6C 3py -0.629872 -0.536691 -0.287200 1.380512 1.037120 1.457474 6C 1dz2 -0.000745 0.000143 -0.001080 -0.003040 0.002084 0.004033 6C 1dxz 0.001742 0.001756 -0.000339 0.003158 -0.002101 -0.004272 6C 1dyz 0.002270 0.002710 0.000537 -0.004022 -0.004655 -0.008537 6C 1dx2y2 0.000629 -0.002335 0.000631 -0.002866 -0.005651 -0.009448 6C 1dxy -0.001599 -0.002416 -0.002192 -0.004245 0.006203 0.007924 6C 2dz2 -0.065951 0.045440 0.013781 0.075271 0.022842 0.095490 6C 2dxz 0.070471 0.100570 0.007405 -0.044140 -0.003380 -0.134854 6C 2dyz 0.080291 0.024633 -0.010981 0.151573 0.002960 -0.050635 6C 2dx2y2 0.165879 -0.003099 -0.023813 0.051078 -0.037504 -0.113932 6C 2dxy -0.169954 -0.015560 0.062612 0.064055 -0.031071 0.300661 6C 1f0 -0.008447 -0.002647 0.000988 -0.002006 0.001082 0.012632 6C 1f+1 0.012144 -0.004744 -0.002365 -0.003506 -0.004822 -0.015551 6C 1f-1 -0.003344 0.000512 -0.000266 0.001698 0.001024 0.005460 6C 1f+2 0.005458 0.000095 -0.003462 0.003359 -0.000394 -0.002334 6C 1f-2 0.011669 0.006345 -0.002316 0.007367 -0.002749 -0.014458 6C 1f+3 0.011297 -0.002742 -0.001839 -0.011975 -0.003923 -0.006755 6C 1f-3 -0.003046 0.003860 -0.003186 0.006641 0.004182 0.007714 7C 1s -0.003061 0.002230 -0.001369 0.004340 0.000587 -0.000434 7C 2s -0.006214 0.005209 -0.003000 0.010112 0.000398 -0.000975 7C 3s -0.018230 -0.048703 0.019594 0.040093 0.060446 0.053510 7C 4s 0.297637 0.349273 -0.084343 -0.441947 -0.497526 -0.242664 7C 5s -1.859331 0.507698 -2.070608 -2.571592 -0.014591 -3.238088 7C 1pz 0.004412 -0.045053 0.013669 0.075909 0.031513 0.045622 7C 1px 0.024196 0.116866 -0.147532 0.047290 -0.165549 -0.016824 7C 1py -0.006052 0.091489 0.002540 0.063510 -0.016373 0.039162 7C 2pz -0.057641 -0.117418 0.028925 0.213388 0.249537 0.002948 7C 2px 0.291597 0.176187 0.054092 -0.228285 -0.738610 0.437551 7C 2py 0.035276 0.036699 0.074745 0.037561 -0.082471 0.176132 7C 3pz -0.636485 -0.132516 -1.108917 -1.758925 0.262538 -1.852153 7C 3px -0.729942 0.124584 0.039867 -0.166031 0.306338 -0.157342 7C 3py -0.592162 -0.652430 -1.172641 -1.176913 0.030789 -1.420954 7C 1dz2 0.003752 -0.007025 0.005799 0.001363 0.000490 0.005830 7C 1dxz -0.009144 0.003112 -0.005791 0.003280 0.001805 -0.005105 7C 1dyz 0.001334 0.002211 0.000880 0.004584 -0.001546 0.003047 7C 1dx2y2 0.000307 0.005426 -0.003781 0.000750 -0.003475 -0.002437 7C 1dxy -0.004619 0.004482 -0.005529 0.004132 -0.001491 -0.001810 7C 2dz2 0.051894 -0.003148 0.107137 -0.168672 -0.100778 0.063359 7C 2dxz -0.018544 -0.003144 -0.088227 0.134223 0.200682 -0.144585 7C 2dyz 0.050973 -0.026589 0.043596 -0.141726 -0.009512 -0.034597 7C 2dx2y2 -0.017424 0.064995 -0.002619 0.039241 -0.010603 -0.020912 7C 2dxy -0.042433 0.062114 -0.153658 0.062702 0.109044 -0.198767 7C 1f0 0.001305 0.002322 -0.001703 -0.002387 -0.005496 -0.000425 7C 1f+1 0.000642 0.003451 -0.002784 -0.007667 -0.004082 -0.008112 7C 1f-1 -0.002049 0.001958 -0.006361 -0.001366 0.003703 -0.009217 7C 1f+2 -0.005871 -0.003627 -0.004167 0.012647 0.014317 -0.003145 7C 1f-2 0.005714 -0.004885 0.009688 -0.007633 -0.006281 0.008324 7C 1f+3 -0.005271 -0.002015 -0.003330 0.006910 0.010880 -0.005114 7C 1f-3 -0.005449 0.008104 -0.009966 0.003720 0.005967 -0.014939 8C 1s 0.000528 -0.005665 -0.001788 0.014602 0.000024 0.000460 8C 2s 0.002242 -0.012024 -0.004535 0.033596 -0.000815 0.001248 8C 3s -0.018716 -0.019260 0.012398 -0.057233 0.008431 -0.033991 8C 4s 0.159476 0.354641 0.021023 -0.109244 -0.147991 0.211862 8C 5s -2.061199 -2.226106 -0.821336 2.538563 2.950596 1.973423 8C 1pz -0.023884 0.047878 0.053083 -0.013725 -0.024079 -0.034262 8C 1px 0.079927 -0.026391 -0.111000 -0.081250 0.073565 0.150071 8C 1py 0.029530 -0.003457 -0.014702 0.007816 0.003005 0.042209 8C 2pz -0.110131 0.129906 0.193575 -0.182919 -0.086673 -0.208663 8C 2px 0.222773 -0.104975 -0.371232 -0.368608 0.263287 0.524775 8C 2py 0.119619 -0.062810 -0.108002 0.254957 0.013443 0.241215 8C 3pz 0.300924 -0.374941 -0.452507 -0.243334 -0.150721 -0.179312 8C 3px -0.407748 0.203799 0.805155 0.232426 -0.539318 -1.420801 8C 3py -0.767894 -0.441310 -0.053044 0.902405 0.747861 0.415023 8C 1dz2 -0.000004 -0.000389 0.000059 0.000044 -0.000818 -0.001995 8C 1dxz -0.003311 -0.000397 0.001912 0.001028 0.001107 0.000558 8C 1dyz -0.000883 0.000569 0.002000 -0.001975 0.000118 -0.001209 8C 1dx2y2 0.000610 -0.001810 0.000029 -0.000927 -0.000282 0.000414 8C 1dxy 0.000624 0.000606 -0.000383 -0.001043 -0.002304 -0.003605 8C 2dz2 -0.041286 -0.033544 0.012749 -0.014544 -0.023531 -0.014258 8C 2dxz 0.012329 -0.022812 -0.017268 0.036829 0.038891 0.010722 8C 2dyz 0.029927 0.009850 -0.021061 -0.095997 0.026054 -0.000709 8C 2dx2y2 0.027166 -0.007136 -0.048392 -0.094348 0.064723 0.012440 8C 2dxy -0.073814 0.039088 0.108517 -0.001050 -0.084069 -0.075621 8C 1f0 0.001785 -0.002289 -0.002574 0.008179 0.000111 0.000944 8C 1f+1 0.004427 -0.003476 -0.007428 -0.002218 0.004707 0.006432 8C 1f-1 -0.000008 0.001281 0.001394 0.003447 -0.001246 0.001420 8C 1f+2 -0.004054 0.004134 0.000968 -0.003865 0.002254 0.007332 8C 1f-2 0.000381 0.004806 0.002625 -0.000479 0.000070 -0.001279 8C 1f+3 -0.006037 0.001177 0.005425 -0.000185 -0.004006 -0.005690 8C 1f-3 -0.008301 -0.000109 0.008169 0.007633 -0.007814 -0.006133 9C 1s -0.003505 0.004622 -0.004653 0.016560 0.004375 0.007785 9C 2s -0.008727 0.009902 -0.010891 0.038152 0.010275 0.017084 9C 3s 0.014980 0.016485 0.004990 -0.053972 -0.009894 -0.018387 9C 4s -0.069652 -0.264353 0.073435 -0.222650 -0.114826 -0.214077 9C 5s 2.117130 0.837014 2.456810 3.186992 0.102770 3.998652 9C 1pz 0.000870 0.045121 -0.017301 -0.011502 -0.045574 -0.016641 9C 1px 0.054149 -0.125308 0.146340 -0.035730 0.110361 0.037335 9C 1py 0.026748 -0.044465 -0.002067 -0.041940 0.006140 -0.013257 9C 2pz 0.035093 0.128988 -0.082424 -0.266999 -0.194170 -0.173710 9C 2px 0.215226 -0.481312 0.546433 -0.205823 0.334581 0.142312 9C 2py 0.124601 -0.125900 0.031034 -0.313632 -0.012348 -0.104129 9C 3pz -0.515998 -0.345723 -0.571522 -0.808411 0.458632 -0.966786 9C 3px -0.266642 0.678822 -1.273577 -0.145019 -0.866283 -0.660758 9C 3py -0.419580 0.306942 -0.130196 -0.214685 0.121916 -0.418742 9C 1dz2 -0.000256 0.000059 -0.000943 0.001732 -0.000185 0.000158 9C 1dxz 0.003637 -0.000921 0.001072 -0.001509 -0.001909 0.002758 9C 1dyz 0.000169 -0.001169 0.002799 0.002609 0.001190 0.001886 9C 1dx2y2 -0.000778 -0.003210 0.000995 -0.000944 0.002412 0.000001 9C 1dxy 0.000844 0.000808 0.001196 -0.000738 -0.000330 0.000672 9C 2dz2 -0.045474 0.051177 -0.066761 0.056209 -0.055356 0.036576 9C 2dxz 0.060032 -0.075916 0.050705 0.046413 0.080400 -0.002866 9C 2dyz -0.023332 0.040123 -0.006315 0.102551 0.025909 0.037232 9C 2dx2y2 0.024499 -0.033231 0.014827 -0.021248 0.019779 -0.021672 9C 2dxy 0.052109 -0.112661 0.042970 0.041243 0.064860 0.015197 9C 1f0 0.003064 -0.010938 0.003301 0.001291 0.009565 -0.000417 9C 1f+1 0.001447 -0.002546 0.003179 -0.003443 -0.001962 0.001877 9C 1f-1 -0.001865 0.004665 -0.004106 -0.002194 -0.001393 -0.004009 9C 1f+2 -0.001023 0.001925 -0.004325 -0.003636 -0.008358 -0.001269 9C 1f-2 -0.005331 0.007923 -0.006713 0.002465 -0.004801 0.001528 9C 1f+3 0.003446 -0.002728 0.002809 -0.011114 -0.005207 -0.002296 9C 1f-3 0.005156 -0.007945 0.008955 -0.003085 0.005705 0.000716 10H 1s 0.011092 -0.021133 0.015773 0.029297 -0.027564 0.013260 10H 2s -0.052677 -0.432639 0.367497 0.348895 -0.466353 0.190073 10H 3s 0.502790 0.669779 -1.332103 -0.491328 1.110351 -0.643746 10H 1pz -0.014057 -0.009259 0.015013 0.004363 -0.008124 0.007068 10H 1px 0.004011 0.017263 -0.017042 -0.009181 0.018232 -0.005733 10H 1py -0.006022 -0.004405 -0.001126 0.001574 -0.000580 -0.000405 11H 1s 0.003682 0.007830 -0.022997 0.024156 0.009930 0.012617 11H 2s 0.233769 0.186173 -0.417515 0.342241 0.097204 0.064065 11H 3s -0.069004 -0.487908 0.770180 -0.061749 -0.239463 0.062797 11H 1pz 0.013003 0.007660 -0.004136 0.005605 -0.007632 -0.004079 11H 1px 0.010099 0.018158 -0.016198 0.005342 0.007546 -0.000396 11H 1py 0.006421 0.006386 0.002849 -0.005317 -0.002597 -0.005110 12H 1s 0.016766 0.023471 -0.020354 0.031773 0.015749 0.010412 12H 2s 0.405731 0.395893 -0.445656 0.460690 0.221306 0.047213 12H 3s -0.348816 -0.859117 0.325014 -0.578652 -0.494479 -0.297328 12H 1pz 0.003531 -0.012438 -0.002174 -0.002365 -0.006594 -0.004047 12H 1px 0.010511 0.015309 -0.017086 0.006898 0.008440 -0.001788 12H 1py 0.015728 0.011527 -0.015754 0.012592 0.002412 -0.002036 13H 1s -0.029998 -0.006942 -0.022930 0.015877 0.001638 0.024671 13H 2s -0.498654 -0.130269 -0.444480 0.144826 -0.148435 0.481458 13H 3s 0.722913 0.580511 1.133018 0.093487 0.818489 -1.102694 13H 1pz -0.011081 -0.001107 -0.011109 0.000949 -0.008980 0.010769 13H 1px 0.016137 0.008681 0.015158 -0.001002 0.006133 -0.012972 13H 1py 0.002377 0.006445 0.009396 -0.000562 0.012319 -0.008943 14H 1s 0.016839 -0.010301 0.014753 0.038155 0.012089 -0.014829 14H 2s 0.169189 -0.057224 0.248965 0.511148 0.398591 -0.405178 14H 3s -0.654377 0.581110 -0.482434 -0.828917 -0.253841 1.086277 14H 1pz -0.005930 0.001199 0.000138 0.004008 0.009420 -0.005907 14H 1px 0.007885 -0.000565 0.011714 0.013373 0.017208 -0.021283 14H 1py 0.009895 -0.007829 -0.000779 0.003774 -0.008711 0.004412 15H 1s 0.002528 0.000863 0.007398 0.026057 0.009417 0.002080 15H 2s 0.008118 -0.003345 0.107378 0.315082 0.224153 -0.076636 15H 3s -0.167678 0.023552 -0.293761 0.002415 -0.125244 0.218028 15H 1pz -0.004992 -0.002723 -0.006228 -0.007907 -0.001160 0.002804 15H 1px 0.008928 -0.004113 0.005580 0.002718 0.007236 -0.010402 15H 1py 0.003585 0.010616 0.002231 -0.000509 -0.006217 0.008589 16H 1s -0.039125 -0.006479 0.001672 -0.020727 0.050767 -0.019937 16H 2s -0.181629 -0.045606 -0.112779 -0.006617 0.326797 -0.247139 16H 3s 0.303358 0.141145 0.027525 -0.104609 -0.475189 0.398992 16H 1pz 0.003119 -0.000908 -0.012455 0.013537 -0.001156 -0.015192 16H 1px -0.016167 -0.002915 0.003597 -0.017710 0.016010 0.009655 16H 1py 0.005503 -0.002400 0.001767 -0.002289 0.001208 0.003034 17H 1s 0.056516 0.026332 0.021138 -0.017482 -0.026314 0.016712 17H 2s 0.306628 0.038088 0.095187 -0.105161 -0.088897 0.235716 17H 3s -0.583830 -0.170681 -0.449982 0.055424 0.283951 -0.585713 17H 1pz -0.005728 -0.002113 0.003033 0.001853 0.003810 -0.004298 17H 1px 0.018840 0.018178 -0.004249 -0.003387 -0.008929 -0.023904 17H 1py -0.000171 -0.006576 -0.006551 -0.001878 0.006630 -0.006110 18H 1s -0.047852 0.037802 0.023018 -0.021832 0.023759 0.017942 18H 2s -0.279125 0.098967 0.107621 -0.123123 0.075142 0.242773 18H 3s 0.491848 -0.278848 -0.474899 0.117795 -0.290258 -0.612228 18H 1pz -0.004955 0.003171 -0.003352 -0.002259 0.003079 0.003793 18H 1px 0.015530 -0.022914 0.003665 0.004073 -0.007926 0.023925 18H 1py 0.002115 0.006228 0.006223 0.000835 0.006799 0.006354 19H 1s 0.038086 -0.016228 0.002574 -0.012175 -0.054270 -0.019862 19H 2s 0.164836 -0.086887 -0.099758 0.048603 -0.332135 -0.243224 19H 3s -0.258310 0.228289 0.008687 -0.179565 0.461129 0.380874 19H 1pz 0.004159 -0.000531 0.011916 -0.013373 -0.002760 0.014867 19H 1px -0.016436 0.006408 -0.003217 0.014882 0.018818 -0.008727 19H 1py 0.005705 0.000813 -0.002059 0.001815 0.001120 -0.002758 20H 1s -0.001402 0.001788 0.007878 0.027649 -0.004704 0.001968 20H 2s 0.003229 0.005228 0.117205 0.356082 -0.165013 -0.083745 20H 3s 0.133024 -0.018164 -0.309058 -0.021729 0.107541 0.215439 20H 1pz -0.003676 0.003718 0.006523 0.007973 0.000364 -0.002684 20H 1px 0.008868 0.002356 -0.006500 -0.003956 0.006334 0.010310 20H 1py 0.001335 -0.010868 -0.002261 0.001892 -0.006161 -0.009134 21H 1s -0.016998 -0.006779 0.016328 0.039832 -0.004954 -0.014097 21H 2s -0.151106 -0.019323 0.279704 0.571902 -0.295868 -0.395219 21H 3s 0.710028 0.440231 -0.532595 -0.850745 0.094151 1.057570 21H 1pz -0.006209 -0.000231 -0.000426 -0.005512 0.008756 0.005954 21H 1px 0.006433 -0.001150 -0.013174 -0.015849 0.014176 0.020809 21H 1py 0.011126 0.006002 0.000710 -0.002376 -0.009155 -0.004649 22H 1s 0.026679 -0.012445 -0.024467 0.016267 -0.000687 0.023854 22H 2s 0.433376 -0.217523 -0.479540 0.125393 0.141583 0.466307 22H 3s -0.545435 0.709043 1.210112 0.230682 -0.711661 -1.084880 22H 1pz -0.009912 0.002873 0.012015 0.000473 -0.008282 -0.010567 22H 1px 0.013044 -0.011500 -0.016448 0.000068 0.005234 0.012476 22H 1py 0.000450 -0.006530 -0.010318 -0.001245 0.011779 0.008759 23H 1s -0.011564 0.025887 -0.018467 0.033985 -0.011242 0.010324 23H 2s -0.321212 0.462785 -0.410419 0.494064 -0.161488 0.044598 23H 3s 0.162199 -0.895598 0.273411 -0.634359 0.394373 -0.296373 23H 1pz 0.006084 0.011528 0.002456 0.003293 -0.006021 0.004220 23H 1px 0.007551 -0.016975 0.015828 -0.007949 0.008017 0.001669 23H 1py 0.013616 -0.014442 0.014923 -0.013012 0.000909 0.002188 24H 1s -0.003135 0.009459 -0.023052 0.025956 -0.007357 0.012043 24H 2s -0.214172 0.246567 -0.415218 0.364280 -0.066235 0.054289 24H 3s 0.031576 -0.526779 0.782957 -0.113830 0.272561 0.078549 24H 1pz 0.011795 -0.010364 0.004334 -0.004660 -0.008179 0.004319 24H 1px 0.007079 -0.020285 0.015530 -0.006778 0.007322 0.000341 24H 1py 0.004803 -0.007395 -0.002956 0.005584 -0.001796 0.005004 25H 1s -0.014966 -0.018245 0.014345 0.025022 0.032724 0.012784 25H 2s -0.030179 -0.437127 0.332240 0.277578 0.535612 0.180296 25H 3s -0.368845 0.752159 -1.254929 -0.302323 -1.256080 -0.651668 25H 1pz -0.012084 0.012090 -0.013798 -0.003123 -0.009727 -0.006794 25H 1px 0.000615 -0.017812 0.015523 0.006295 0.020375 0.005344 25H 1py -0.004912 0.005680 0.001463 -0.001371 -0.000665 0.000537 26O 1s 0.001241 -0.008341 0.008725 -0.002471 -0.005895 0.002358 26O 2s 0.001826 -0.019915 0.021693 -0.006464 -0.014094 0.005763 26O 3s 0.018182 0.024049 -0.044377 0.019659 0.012571 -0.016685 26O 4s -0.117174 0.156880 -0.056031 -0.025245 0.089401 -0.039065 26O 5s 0.075168 -0.487278 0.336833 -0.347535 0.394313 0.888756 26O 1pz -0.055466 -0.055315 0.010894 0.032521 -0.057167 -0.010114 26O 1px -0.040050 -0.095889 0.072447 -0.049685 -0.017452 0.029151 26O 1py -0.033706 0.028968 0.044924 -0.016468 -0.054381 -0.021180 26O 2pz -0.084135 -0.108822 -0.004202 0.098403 -0.094002 -0.030116 26O 2px -0.028251 -0.118155 0.021236 -0.012727 -0.069489 -0.055900 26O 2py -0.024671 0.113923 0.052890 0.022985 -0.122520 -0.073126 26O 3pz 0.212377 0.185418 -0.025726 -0.456571 0.159527 -0.060317 26O 3px 0.199027 0.240397 -0.177850 0.127740 -0.450624 -0.615517 26O 3py 0.080531 -0.411227 -0.210053 -0.152851 0.037281 -0.123286 26O 1dz2 -0.001902 0.000281 0.000718 -0.001506 0.003934 0.004038 26O 1dxz 0.001712 -0.000736 0.000905 -0.001141 -0.000426 0.001321 26O 1dyz 0.000293 0.000281 0.001742 -0.001938 -0.000691 -0.000279 26O 1dx2y2 0.001670 0.000490 -0.002316 0.000965 -0.005224 -0.005048 26O 1dxy 0.002167 -0.002899 0.001233 0.000594 -0.004995 -0.002063 26O 2dz2 0.001526 0.013535 -0.012736 0.007825 -0.006103 -0.036166 26O 2dxz -0.006132 -0.004226 0.013456 -0.006600 -0.001483 0.010833 26O 2dyz -0.015875 -0.017980 0.007568 -0.004026 -0.005008 -0.000708 26O 2dx2y2 -0.010752 -0.011052 0.027084 -0.013187 0.001204 0.022930 26O 2dxy -0.015204 -0.014374 0.027298 -0.016495 0.002515 0.021995 26O 1f0 -0.000185 0.000035 0.000176 0.000123 0.000414 0.000218 26O 1f+1 0.000072 -0.000387 0.000682 -0.000659 0.000833 0.001799 26O 1f-1 -0.000578 -0.000320 0.000348 -0.001510 0.000367 -0.000201 26O 1f+2 -0.000268 -0.000013 -0.000043 0.000507 -0.000678 -0.000910 26O 1f-2 0.000218 -0.000013 -0.000250 -0.000801 -0.000110 -0.000985 26O 1f+3 -0.000945 -0.000950 0.000804 -0.000560 0.000180 0.000682 26O 1f-3 -0.000308 -0.000272 0.001426 -0.000178 0.001151 0.003147 27O 1s -0.006264 -0.000063 -0.006552 -0.004342 0.001782 0.007894 27O 2s -0.014041 -0.000481 -0.015537 -0.011090 0.002831 0.018960 27O 3s -0.007414 0.006087 0.016161 0.021486 0.020816 -0.031023 27O 4s 0.176397 -0.037524 0.098474 -0.020688 -0.153065 -0.139489 27O 5s 0.722061 0.201563 0.267728 0.526308 0.271897 1.063038 27O 1pz -0.031929 -0.041287 -0.054928 -0.035960 -0.031527 0.005174 27O 1px -0.011748 -0.005846 -0.026025 -0.038786 -0.049181 0.082840 27O 1py 0.055717 -0.024922 0.003931 0.007455 0.059735 0.013986 27O 2pz -0.046134 -0.100877 -0.130481 -0.055628 -0.058037 0.010927 27O 2px -0.119853 -0.008583 -0.050931 -0.084177 -0.051848 -0.012875 27O 2py 0.115495 -0.068388 -0.007103 0.001636 0.083012 0.073368 27O 3pz 0.110703 0.246399 0.334165 0.151006 0.131345 0.105530 27O 3px -0.813904 -0.078470 -0.281518 -0.444994 0.109637 -0.570708 27O 3py 0.000483 0.235202 0.056057 0.229878 -0.231229 -0.230779 27O 1dz2 0.005607 -0.000108 0.002074 0.002329 -0.000718 0.002743 27O 1dxz 0.001037 -0.000758 0.001226 0.001939 0.000158 0.003402 27O 1dyz -0.000012 0.000641 0.000416 0.001855 0.000607 0.000280 27O 1dx2y2 -0.008664 -0.000294 -0.001926 -0.004331 0.000949 -0.004796 27O 1dxy 0.003376 0.000719 0.001470 0.002034 -0.001887 -0.003417 27O 2dz2 -0.015555 0.010961 -0.000687 0.006698 0.011919 -0.033768 27O 2dxz -0.002241 0.000730 -0.000055 -0.002523 0.001678 -0.001784 27O 2dyz 0.001556 -0.005505 0.008894 0.009954 0.013564 0.010232 27O 2dx2y2 0.026053 0.007552 0.005701 0.020837 -0.007308 0.039158 27O 2dxy -0.009123 0.004670 0.006417 0.000882 0.012037 -0.021781 27O 1f0 -0.000229 0.000099 0.000038 0.000941 0.000774 0.000007 27O 1f+1 0.002158 -0.000200 0.000360 0.001891 -0.000309 0.001918 27O 1f-1 -0.000535 -0.000011 0.000295 -0.000387 0.000329 0.000134 27O 1f+2 -0.000255 0.000192 0.000045 0.001106 0.000040 0.000842 27O 1f-2 -0.000489 0.000359 -0.000275 0.000182 -0.000529 0.000062 27O 1f+3 0.002436 0.000193 0.000757 0.000769 -0.000460 0.002298 27O 1f-3 -0.001926 0.000186 -0.000596 -0.000862 -0.000065 -0.002075 28O 1s -0.005918 0.005647 -0.004320 0.000579 0.003968 -0.002868 28O 2s -0.012521 0.013913 -0.010616 0.000557 0.009046 -0.006595 28O 3s -0.012833 -0.021950 0.019162 0.004946 0.003365 0.006225 28O 4s 0.235935 -0.025337 0.038758 -0.083836 -0.080246 0.072603 28O 5s -0.400099 -0.547288 -0.294782 0.840541 -0.756509 -0.632735 28O 1pz 0.040319 0.002118 -0.075478 -0.038450 0.049981 -0.026300 28O 1px -0.007873 -0.008240 0.014843 -0.023541 0.018092 0.026303 28O 1py 0.028099 0.066132 0.046665 -0.004075 0.035816 0.046661 28O 2pz 0.017965 -0.020015 -0.055504 -0.135104 0.126766 0.026099 28O 2px -0.016855 -0.032708 -0.021029 0.024796 -0.031888 -0.005802 28O 2py 0.030873 0.128641 0.137532 -0.014804 0.058582 0.116496 28O 3pz 0.019672 0.514069 -0.251351 -0.134118 0.391215 -0.088050 28O 3px 0.256694 -0.331268 -0.042032 0.628812 -0.742445 -0.264012 28O 3py 0.048326 -0.142662 -0.650056 0.015017 0.006257 -0.534399 28O 1dz2 0.000881 0.002414 -0.002047 0.002635 0.001106 -0.001759 28O 1dxz 0.002396 -0.004926 0.002008 0.004676 -0.008519 -0.002755 28O 1dyz 0.000339 0.001000 -0.002725 -0.000637 0.001484 -0.001628 28O 1dx2y2 -0.002870 0.002329 0.000661 -0.006095 0.005658 0.001020 28O 1dxy -0.001155 -0.000614 0.004619 -0.001241 -0.001003 0.002201 28O 2dz2 0.000042 0.016965 -0.003006 -0.004304 -0.002458 0.001159 28O 2dxz -0.013115 0.013757 0.021992 -0.033678 0.026917 0.024774 28O 2dyz -0.000877 0.002674 -0.010142 -0.014321 -0.000243 -0.005053 28O 2dx2y2 0.012128 -0.001744 -0.003677 0.017279 -0.016057 -0.000795 28O 2dxy 0.000309 0.003892 -0.000151 -0.015280 0.004816 0.000288 28O 1f0 0.000504 -0.000904 -0.000536 0.001070 -0.001151 0.000227 28O 1f+1 0.000013 -0.000400 -0.000677 0.001861 -0.001511 -0.000476 28O 1f-1 0.000199 0.000708 -0.001177 -0.001346 -0.000229 -0.000805 28O 1f+2 -0.001279 0.000455 0.001079 -0.001887 0.002399 0.001610 28O 1f-2 0.000396 0.000048 0.000027 0.000147 -0.000692 0.000140 28O 1f+3 -0.000794 0.000353 0.000184 -0.001211 0.000908 0.000317 28O 1f-3 -0.000575 0.000035 0.000280 0.001017 -0.000780 -0.000173 29O 1s 0.001389 0.001515 0.006396 -0.005335 0.000189 0.000496 29O 2s 0.003475 0.003312 0.014059 -0.011412 0.000846 0.001503 29O 3s -0.005552 0.000165 0.001481 -0.007487 -0.005424 -0.007045 29O 4s -0.019222 -0.061409 -0.215674 0.216212 0.028159 0.023828 29O 5s 0.044093 0.155124 0.388288 -0.417343 -0.085498 -0.100170 29O 1pz -0.098314 -0.041967 -0.012280 -0.016172 0.085007 -0.046057 29O 1px -0.044920 -0.021060 -0.039102 0.020570 0.030761 -0.016000 29O 1py 0.041992 0.031133 0.024212 -0.022651 0.019047 0.007958 29O 2pz -0.187767 -0.092915 -0.032173 -0.016817 0.169442 -0.115998 29O 2px -0.099715 -0.026843 -0.095062 0.028397 0.058099 -0.052202 29O 2py 0.084320 0.060450 0.045028 -0.038487 0.054095 0.020278 29O 3pz 0.231189 0.231443 -0.039205 0.047019 -0.189553 0.008186 29O 3px 0.145303 0.037093 0.265650 0.110208 -0.144701 0.136941 29O 3py -0.133305 -0.152614 -0.156468 0.066677 -0.067253 -0.019829 29O 1dz2 -0.001255 0.000160 -0.000736 -0.000307 0.002854 -0.001567 29O 1dxz 0.001805 0.000627 0.000218 -0.000593 -0.001079 0.000803 29O 1dyz -0.002453 0.000231 -0.001440 0.000983 0.002024 -0.003028 29O 1dx2y2 0.001194 0.000751 0.001059 0.000272 0.000044 0.000696 29O 1dxy -0.000875 0.000279 0.000421 0.000422 -0.000084 -0.000817 29O 2dz2 -0.006571 -0.005363 0.003718 -0.010178 0.003541 0.010703 29O 2dxz 0.010252 0.007959 -0.003639 0.008152 -0.007216 -0.012296 29O 2dyz -0.004205 -0.000658 0.000864 -0.005800 0.004574 0.005297 29O 2dx2y2 0.007668 -0.002272 -0.007852 -0.008606 0.000227 -0.012564 29O 2dxy -0.002181 -0.013394 -0.002516 0.008194 0.000047 0.003516 29O 1f0 -0.000036 -0.000815 -0.000697 0.000538 0.000322 -0.000336 29O 1f+1 0.000150 0.000522 -0.000113 0.000224 -0.000086 -0.000868 29O 1f-1 0.000810 -0.000303 -0.000617 0.001259 -0.000337 -0.000290 29O 1f+2 -0.000727 -0.000015 0.000383 -0.000621 0.000493 0.000655 29O 1f-2 -0.000784 -0.001092 0.000128 0.000077 0.000743 0.001061 29O 1f+3 0.000599 0.000245 -0.000389 -0.000409 -0.000087 -0.000869 29O 1f-3 0.000428 0.000038 0.000160 0.000120 -0.000328 -0.000590 30O 1s 0.006275 0.000858 0.003290 0.000736 -0.004178 -0.008117 30O 2s 0.014742 0.001704 0.008213 0.001410 -0.008709 -0.020266 30O 3s -0.009019 0.001459 -0.013128 0.002073 -0.009928 0.044542 30O 4s -0.095997 -0.066156 -0.026365 -0.058249 0.177964 0.047401 30O 5s -0.546698 0.717375 -0.159132 0.286436 -0.445411 -0.781590 30O 1pz 0.028107 -0.054817 -0.002978 0.035281 0.036643 -0.078629 30O 1px 0.018083 -0.059557 -0.012466 0.004056 0.014542 0.056898 30O 1py -0.055890 -0.059815 -0.050653 0.023246 -0.042501 0.010489 30O 2pz 0.076277 -0.175562 -0.023772 0.060421 0.053234 -0.052963 30O 2px -0.004790 -0.066520 -0.033175 0.028072 0.002182 0.011295 30O 2py -0.116972 -0.067984 -0.074414 0.049542 -0.037806 -0.109073 30O 3pz 0.244401 0.409686 0.403680 -0.294387 -0.019230 0.134770 30O 3px -0.687510 0.455728 -0.064979 0.079810 0.129021 -0.420716 30O 3py -0.152356 0.134717 -0.136883 -0.039197 -0.090952 0.459524 30O 1dz2 -0.001592 0.002790 0.000279 0.001037 0.001248 -0.000721 30O 1dxz -0.006612 0.000546 -0.003971 0.001516 0.000720 -0.002701 30O 1dyz -0.004899 0.000676 -0.001572 0.000308 -0.000238 0.002888 30O 1dx2y2 0.003226 -0.001282 -0.000328 -0.001764 -0.001648 0.003884 30O 1dxy 0.005569 -0.002381 0.002717 0.002119 -0.000099 -0.000414 30O 2dz2 -0.002724 0.004852 0.002513 -0.003079 -0.003418 0.012097 30O 2dxz 0.014551 -0.005332 0.012473 -0.015014 -0.004282 0.034824 30O 2dyz 0.005562 -0.016403 -0.012911 0.001766 -0.003721 0.029680 30O 2dx2y2 -0.008777 0.009596 0.002610 0.003117 0.003790 0.004918 30O 2dxy -0.016346 0.015022 -0.006862 0.007727 0.005350 -0.029834 30O 1f0 -0.000843 0.000251 -0.000998 0.001082 0.000207 -0.000339 30O 1f+1 -0.000459 -0.000349 -0.000668 0.000174 -0.001036 -0.000289 30O 1f-1 -0.000176 0.000131 -0.000759 0.000811 -0.000047 -0.000559 30O 1f+2 0.000858 -0.000438 -0.000504 0.000139 -0.000541 0.001483 30O 1f-2 0.001797 -0.000573 0.000305 -0.000651 -0.000371 0.002385 30O 1f+3 -0.000534 0.000206 -0.000008 -0.000006 -0.000292 -0.001057 30O 1f-3 0.001335 -0.001044 0.000090 -0.001018 -0.000228 0.001864 31O 1s -0.005775 0.002114 0.003412 0.000020 0.004452 -0.007900 31O 2s -0.013591 0.004652 0.008561 -0.000105 0.009353 -0.019762 31O 3s 0.008330 -0.000253 -0.014219 0.000784 0.009196 0.044266 31O 4s 0.082049 -0.085209 -0.021415 -0.029043 -0.186618 0.043371 31O 5s 0.614160 0.602503 -0.217613 0.209961 0.480930 -0.793622 31O 1pz 0.040062 0.047314 0.000125 -0.041184 0.029586 0.078324 31O 1px 0.028790 0.053527 0.011158 -0.006657 0.014572 -0.055824 31O 1py -0.037652 0.069330 0.056079 -0.016436 -0.042554 -0.009084 31O 2pz 0.111550 0.155287 0.018406 -0.069284 0.042036 0.052463 31O 2px 0.010337 0.065177 0.033965 -0.027562 -0.000255 -0.009722 31O 2py -0.090439 0.089100 0.083501 -0.044243 -0.041139 0.112588 31O 3pz 0.117740 -0.443920 -0.423199 0.294819 0.008603 -0.148591 31O 3px -0.731597 -0.317530 0.098439 -0.105068 0.116580 0.442363 31O 3py -0.171519 -0.100269 0.147309 0.064133 -0.072259 -0.459299 31O 1dz2 0.002136 0.002387 0.000258 0.001234 -0.001045 -0.000754 31O 1dxz 0.006141 -0.000796 -0.004304 0.001595 -0.000726 -0.002849 31O 1dyz 0.004738 -0.000341 -0.001864 0.000215 0.000171 0.002772 31O 1dx2y2 -0.003330 -0.000621 -0.000246 -0.002048 0.001325 0.003947 31O 1dxy -0.005709 -0.001121 0.002972 0.002174 0.000644 -0.000357 31O 2dz2 0.003880 0.004331 0.002259 -0.003435 0.002789 0.011961 31O 2dxz -0.013301 -0.002510 0.013230 -0.015742 0.002282 0.035441 31O 2dyz -0.008853 -0.014758 -0.012817 0.001649 0.003042 0.029514 31O 2dx2y2 0.010343 0.007833 0.002297 0.003789 -0.003146 0.004564 31O 2dxy 0.017707 0.011789 -0.007524 0.008722 -0.004422 -0.030171 31O 1f0 -0.000787 -0.000088 0.001037 -0.001101 0.000090 0.000358 31O 1f+1 -0.000316 0.000437 0.000740 -0.000017 -0.000999 0.000298 31O 1f-1 -0.000136 -0.000113 0.000768 -0.000792 -0.000127 0.000563 31O 1f+2 0.000899 0.000254 0.000492 -0.000045 -0.000510 -0.001500 31O 1f-2 0.001759 0.000221 -0.000393 0.000706 -0.000264 -0.002450 31O 1f+3 -0.000545 -0.000111 0.000051 0.000059 -0.000296 0.001080 31O 1f-3 0.001419 0.000765 -0.000162 0.001045 -0.000054 -0.001894 32O 1s -0.000484 0.001150 0.006841 -0.005511 -0.000924 0.001208 32O 2s -0.001481 0.002566 0.015105 -0.011755 -0.002400 0.003121 32O 3s 0.005665 -0.000605 0.000634 -0.007978 0.004104 -0.007724 32O 4s -0.012459 -0.047328 -0.224345 0.224548 0.003154 0.006115 32O 5s 0.017784 0.142322 0.393176 -0.430498 0.025115 -0.084648 32O 1pz -0.086888 0.066356 0.013743 0.000913 0.087331 0.047052 32O 1px -0.036645 0.028834 0.041025 -0.026669 0.028038 0.018470 32O 1py 0.029034 -0.037585 -0.026095 0.018520 0.024883 -0.005991 32O 2pz -0.161309 0.139413 0.033670 -0.013364 0.171512 0.116936 32O 2px -0.085671 0.042700 0.100662 -0.041522 0.056076 0.059523 32O 2py 0.058747 -0.074651 -0.048942 0.027121 0.064396 -0.014447 32O 3pz 0.174379 -0.300261 0.033071 -0.016214 -0.193437 -0.005607 32O 3px 0.121252 -0.048886 -0.279689 -0.071448 -0.172310 -0.164953 32O 3py -0.078671 0.174958 0.159926 -0.051664 -0.080666 0.009308 32O 1dz2 0.001189 -0.000080 -0.000580 0.000127 -0.002867 -0.001471 32O 1dxz -0.001661 0.001014 0.000232 -0.000777 0.001024 0.000854 32O 1dyz 0.002376 -0.000188 -0.001435 0.001336 -0.002012 -0.003090 32O 1dx2y2 -0.000983 0.000953 0.001139 0.000230 0.000065 0.000796 32O 1dxy 0.000845 0.000060 0.000434 0.000361 0.000183 -0.000717 32O 2dz2 0.005442 -0.006772 0.003401 -0.009463 -0.004459 0.010430 32O 2dxz -0.009194 0.010698 -0.003028 0.006966 0.008327 -0.011882 32O 2dyz 0.004340 -0.002244 0.000592 -0.005355 -0.005886 0.005015 32O 2dx2y2 -0.009393 0.000547 -0.007395 -0.008052 -0.001283 -0.013033 32O 2dxy -0.001573 -0.013691 -0.002625 0.007853 0.001815 0.003476 32O 1f0 0.000156 0.000767 0.000624 -0.000517 0.000245 0.000311 32O 1f+1 0.000061 -0.000601 0.000092 -0.000206 -0.000106 0.000894 32O 1f-1 0.000894 0.000152 0.000557 -0.001199 -0.000487 0.000213 32O 1f+2 -0.000789 0.000173 -0.000368 0.000582 0.000580 -0.000612 32O 1f-2 -0.000611 0.001285 -0.000125 -0.000156 0.000701 -0.001063 32O 1f+3 0.000582 -0.000396 0.000360 0.000383 0.000002 0.000839 32O 1f-3 0.000484 -0.000168 -0.000158 -0.000086 -0.000384 0.000618 33O 1s 0.006740 0.004317 -0.004253 0.001037 -0.003969 -0.002787 33O 2s 0.014597 0.011098 -0.010389 0.001605 -0.009201 -0.006394 33O 3s 0.009038 -0.025088 0.018102 0.005675 -0.001802 0.005838 33O 4s -0.235237 0.027268 0.044935 -0.092535 0.067355 0.072781 33O 5s 0.269092 -0.599244 -0.354454 0.713484 0.856782 -0.641748 33O 1pz 0.041928 -0.012109 0.070489 0.029091 0.059236 0.026978 33O 1px -0.005514 0.010398 -0.015235 0.020438 0.020326 -0.026658 33O 1py 0.009411 -0.070027 -0.050318 -0.000679 0.033254 -0.046956 33O 2pz 0.022950 0.015662 0.046883 0.112488 0.149104 -0.025929 33O 2px -0.005856 0.034032 0.023394 -0.019468 -0.035242 0.005400 33O 2py -0.007207 -0.129955 -0.143657 0.008349 0.052284 -0.118047 33O 3pz -0.079529 -0.494745 0.236059 0.070453 0.420168 0.089982 33O 3px 0.320828 0.255951 0.075985 -0.514030 -0.825527 0.274919 33O 3py 0.114037 0.125820 0.655559 -0.028910 0.042162 0.543174 33O 1dz2 -0.000463 0.002533 -0.001975 0.002793 -0.000785 -0.001779 33O 1dxz -0.003416 -0.004238 0.001648 0.003316 0.009244 -0.002766 33O 1dyz -0.000338 0.001053 -0.002612 -0.000397 -0.001694 -0.001603 33O 1dx2y2 0.003372 0.001610 0.000910 -0.005203 -0.006512 0.001092 33O 1dxy 0.001213 -0.000851 0.004562 -0.001470 0.001077 0.002270 33O 2dz2 0.003232 0.016842 -0.002744 -0.004879 0.001694 0.001446 33O 2dxz 0.017034 0.009628 0.022817 -0.029443 -0.030794 0.025299 33O 2dyz 0.001331 0.002783 -0.009825 -0.014454 -0.002526 -0.004716 33O 2dx2y2 -0.012213 0.001543 -0.004167 0.014925 0.018340 -0.001170 33O 2dxy 0.000902 0.003499 0.000266 -0.014459 -0.007297 0.000486 33O 1f0 0.000693 0.000765 0.000584 -0.000893 -0.001288 -0.000212 33O 1f+1 0.000145 0.000315 0.000749 -0.001611 -0.001750 0.000499 33O 1f-1 0.000081 -0.000724 0.001200 0.001344 0.000063 0.000821 33O 1f+2 -0.001413 -0.000104 -0.001165 0.001520 0.002595 -0.001642 33O 1f-2 0.000379 -0.000153 -0.000008 -0.000034 -0.000713 -0.000147 33O 1f+3 -0.000860 -0.000146 -0.000214 0.001078 0.001073 -0.000342 33O 1f-3 -0.000539 0.000072 -0.000195 -0.000878 -0.000948 0.000183 34O 1s 0.005733 -0.001184 -0.006854 -0.004017 -0.002854 0.007599 34O 2s 0.012718 -0.002961 -0.016277 -0.010530 -0.005535 0.018266 34O 3s 0.009599 0.003905 0.016949 0.024582 -0.015889 -0.030443 34O 4s -0.174646 -0.002362 0.101353 -0.044462 0.152002 -0.134893 34O 5s -0.655409 0.345906 0.316129 0.557646 -0.155503 1.076947 34O 1pz -0.022186 0.046853 0.056781 0.040614 -0.022132 -0.005327 34O 1px -0.007595 0.008141 0.029192 0.046874 -0.040770 -0.082651 34O 1py 0.056117 0.013094 -0.010875 -0.017183 0.056696 -0.015074 34O 2pz -0.022390 0.108117 0.133709 0.063729 -0.040736 -0.010594 34O 2px -0.111117 0.033010 0.059497 0.091810 -0.033965 0.014390 34O 2py 0.122317 0.043353 -0.004860 -0.015522 0.079988 -0.074997 34O 3pz 0.059300 -0.265091 -0.343910 -0.168816 0.081520 -0.108844 34O 3px -0.758643 0.242204 0.319650 0.418938 0.201741 0.589518 34O 3py -0.046972 -0.229788 -0.039887 -0.187243 -0.261000 0.229911 34O 1dz2 -0.005320 0.001005 0.002320 0.002187 0.001237 0.002853 34O 1dxz -0.001208 -0.000535 0.001232 0.001984 0.000231 0.003349 34O 1dyz 0.000141 0.000594 0.000474 0.001903 -0.000255 0.000355 34O 1dx2y2 0.008169 -0.002057 -0.002347 -0.004121 -0.001828 -0.004961 34O 1dxy -0.003185 0.001343 0.001510 0.001695 0.002294 -0.003353 34O 2dz2 0.017406 0.007559 -0.000771 0.008656 -0.010854 -0.033936 34O 2dxz 0.002544 0.000402 -0.000122 -0.002255 -0.002097 -0.001922 34O 2dyz -0.001422 -0.005120 0.009658 0.012046 -0.011190 0.010215 34O 2dx2y2 -0.023767 0.012646 0.006661 0.019159 0.011048 0.039822 34O 2dxy 0.010642 0.002415 0.006739 0.002848 -0.011427 -0.021617 34O 1f0 -0.000311 -0.000045 -0.000073 -0.001051 0.000628 -0.000014 34O 1f+1 0.002118 -0.000246 -0.000451 -0.001818 -0.000642 -0.001958 34O 1f-1 -0.000546 0.000119 -0.000280 0.000328 0.000372 -0.000122 34O 1f+2 -0.000289 -0.000140 -0.000018 -0.001114 -0.000145 -0.000828 34O 1f-2 -0.000571 -0.000255 0.000324 -0.000098 -0.000512 -0.000064 34O 1f+3 0.002310 -0.000673 -0.000869 -0.000674 -0.000641 -0.002362 34O 1f-3 -0.001861 0.000220 0.000692 0.000860 0.000106 0.002091 35O 1s -0.002674 -0.007811 0.008542 -0.003371 0.005922 0.002433 35O 2s -0.005249 -0.018893 0.021200 -0.008629 0.014119 0.005937 35O 3s -0.014431 0.027155 -0.043111 0.021859 -0.011818 -0.016904 35O 4s 0.142968 0.127671 -0.057952 -0.012902 -0.094773 -0.040185 35O 5s -0.095224 -0.459587 0.379013 -0.287417 -0.434968 0.906546 35O 1pz -0.041844 0.065858 -0.005762 -0.022787 -0.062928 0.009727 35O 1px -0.025526 0.102477 -0.070493 0.052148 -0.012833 -0.029678 35O 1py -0.037987 -0.020455 -0.039889 0.025471 -0.052662 0.021074 35O 2pz -0.056286 0.123494 0.012193 -0.082206 -0.110538 0.030386 35O 2px -0.004651 0.122317 -0.016546 0.022917 -0.068009 0.056212 35O 2py -0.041535 -0.105761 -0.042953 -0.002620 -0.126154 0.074245 35O 3pz 0.159572 -0.215293 0.010786 0.423575 0.242860 0.058091 35O 3px 0.196898 -0.286296 0.202637 -0.063115 -0.457521 0.625705 35O 3py 0.166836 0.386292 0.203945 0.137827 0.071925 0.124507 35O 1dz2 0.002143 -0.000163 0.000833 -0.000875 -0.004085 0.004006 35O 1dxz -0.001758 -0.000474 0.000941 -0.001177 0.000254 0.001351 35O 1dyz -0.000200 0.000349 0.001713 -0.002031 0.000486 -0.000273 35O 1dx2y2 -0.001992 0.000886 -0.002500 0.000143 0.005229 -0.005024 35O 1dxy -0.002829 -0.002314 0.001071 -0.000167 0.005112 -0.002011 35O 2dz2 -0.000927 0.014205 -0.013445 0.007147 0.006426 -0.036672 35O 2dxz 0.005830 -0.005173 0.013081 -0.006835 0.001134 0.010982 35O 2dyz 0.011812 -0.020615 0.006918 -0.004935 0.004896 -0.000699 35O 2dx2y2 0.010418 -0.013108 0.026647 -0.013141 -0.002112 0.023240 35O 2dxy 0.014296 -0.017454 0.027262 -0.016310 -0.003727 0.022351 35O 1f0 -0.000206 -0.000036 -0.000198 -0.000183 0.000379 -0.000227 35O 1f+1 0.000028 0.000380 -0.000742 0.000531 0.000899 -0.001815 35O 1f-1 -0.000531 0.000463 -0.000370 0.001459 0.000591 0.000177 35O 1f+2 -0.000223 0.000091 0.000097 -0.000400 -0.000750 0.000912 35O 1f-2 0.000239 -0.000017 0.000253 0.000795 0.000045 0.000999 35O 1f+3 -0.000808 0.001099 -0.000751 0.000517 0.000247 -0.000658 35O 1f-3 -0.000441 0.000362 -0.001508 0.000031 0.001085 -0.003185 210 211 212 213 214 215 0.52070 0.53092 0.53847 0.54468 0.55183 0.56184 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s -0.000270 -0.000790 0.003639 0.000719 -0.008936 -0.003520 0Rh 2s 0.000878 0.003768 -0.012021 -0.001155 0.029961 0.013865 0Rh 3s -0.001031 -0.002272 0.013775 0.003479 -0.033566 -0.011945 0Rh 4s -0.003869 -0.017238 0.053083 0.004443 -0.132655 -0.062586 0Rh 5s 0.002023 0.021127 -0.028141 0.010351 0.074768 0.057990 0Rh 6s 0.012207 0.004272 -0.166671 -0.065984 0.401378 0.091160 0Rh 7s -0.058769 0.155824 0.702499 0.225460 -1.475699 0.154675 0Rh 8s -0.071996 -0.599298 0.726814 0.505421 -3.051440 -0.716497 0Rh 1pz 0.001470 -0.003119 -0.001913 -0.002916 0.005721 0.002020 0Rh 1px 0.000122 -0.001004 0.002664 0.000990 -0.012193 -0.007303 0Rh 1py 0.000458 0.000763 0.004329 -0.005640 -0.004001 -0.002931 0Rh 2pz -0.005175 0.009809 0.006859 0.009891 -0.019929 -0.007253 0Rh 2px -0.000347 0.003367 -0.009497 -0.003086 0.042654 0.025448 0Rh 2py -0.001905 -0.002468 -0.014278 0.019606 0.014333 0.010142 0Rh 3pz 0.006617 0.009647 -0.011111 -0.005315 0.021087 0.011975 0Rh 3px -0.001132 -0.000997 0.014239 -0.003826 -0.048568 -0.027257 0Rh 3py 0.008022 -0.001048 -0.000136 -0.019725 -0.022720 -0.009433 0Rh 4pz -0.000723 -0.084662 0.009939 -0.029527 0.016809 -0.012091 0Rh 4px 0.006069 -0.013048 -0.008415 0.031598 -0.022630 -0.018304 0Rh 4py -0.021833 0.016598 0.070070 -0.023472 0.017502 -0.012970 0Rh 5pz 0.020772 0.125640 -0.039586 0.046628 0.021353 0.054473 0Rh 5px -0.010143 0.013424 0.046269 -0.070209 -0.077219 -0.051295 0Rh 5py 0.043961 -0.026980 -0.083799 0.032934 -0.079714 -0.008969 0Rh 6pz -0.347012 -0.168398 0.054403 -0.509641 -0.631620 -0.463198 0Rh 6px 0.018993 0.222828 -0.927482 0.619430 1.961256 1.039606 0Rh 6py 0.054965 -0.009039 -0.252450 -1.440504 1.102881 0.414917 0Rh 1dz2 -0.001671 0.015600 -0.002751 0.003391 -0.014787 0.008932 0Rh 1dxz 0.001685 -0.029089 0.014306 -0.003414 -0.013991 0.004690 0Rh 1dyz -0.013211 -0.005807 -0.009030 -0.001083 -0.006580 0.002940 0Rh 1dx2y2 0.005030 -0.013073 -0.016143 0.010582 0.023989 -0.011480 0Rh 1dxy -0.013143 0.000893 0.022920 -0.004816 0.019014 -0.005016 0Rh 2dz2 0.000159 -0.001830 0.000387 -0.000441 0.001179 -0.000344 0Rh 2dxz -0.000035 0.002920 -0.000906 0.000293 0.000912 -0.000912 0Rh 2dyz 0.001152 0.000482 0.001643 0.000614 0.000705 -0.000396 0Rh 2dx2y2 -0.000300 0.001697 0.001514 -0.001679 -0.000970 0.001652 0Rh 2dxy 0.001222 0.000099 -0.002489 -0.001645 -0.001478 0.000564 0Rh 3dz2 0.002460 -0.021987 0.003595 -0.004717 0.023211 -0.015588 0Rh 3dxz -0.003061 0.043201 -0.023494 0.005343 0.023039 -0.005168 0Rh 3dyz 0.020236 0.009026 0.010366 -0.000515 0.009444 -0.003920 0Rh 3dx2y2 -0.008266 0.017740 0.024546 -0.013281 -0.041927 0.015019 0Rh 3dxy 0.019854 -0.002106 -0.033285 0.016183 -0.030362 0.007247 0Rh 4dz2 0.003430 -0.043234 0.009094 -0.008636 0.033038 -0.015759 0Rh 4dxz -0.002753 0.072272 -0.028917 0.006835 0.027906 -0.017684 0Rh 4dyz 0.028588 0.013046 0.033561 0.009850 0.017565 -0.009566 0Rh 4dx2y2 -0.010376 0.038723 0.039170 -0.033475 -0.040949 0.035396 0Rh 4dxy 0.031067 -0.000292 -0.060222 -0.019406 -0.040983 0.013144 0Rh 5dz2 0.012808 0.047803 -0.030979 -0.010003 -0.012575 0.008195 0Rh 5dxz 0.001473 -0.022754 -0.001748 0.014611 0.006246 0.045294 0Rh 5dyz 0.037644 0.004699 -0.095161 -0.046109 -0.025956 0.036438 0Rh 5dx2y2 0.001895 -0.059412 -0.026576 0.035909 -0.030887 -0.065960 0Rh 5dxy 0.005739 -0.007362 0.032670 0.181623 -0.010770 -0.016024 0Rh 1f0 0.003029 -0.005926 -0.002751 -0.004198 -0.009955 0.007401 0Rh 1f+1 -0.002370 -0.005843 -0.004113 0.002376 0.003233 -0.002951 0Rh 1f-1 0.005681 0.003486 -0.006120 -0.007055 0.000333 0.004129 0Rh 1f+2 0.003843 -0.001110 -0.004473 -0.004519 0.006127 -0.009339 0Rh 1f-2 -0.004112 0.001783 0.001980 0.004136 0.005165 -0.008704 0Rh 1f+3 0.001153 0.001826 -0.007225 -0.000814 0.008855 -0.007441 0Rh 1f-3 0.000867 -0.002997 -0.000033 0.002228 0.009285 0.001003 1Rh 1s 0.000321 0.000770 -0.003681 0.000966 0.008883 -0.003470 1Rh 2s -0.001044 -0.003728 0.012218 -0.002000 -0.029794 0.013694 1Rh 3s 0.001226 0.002179 -0.013903 0.004393 0.033361 -0.011762 1Rh 4s 0.004600 0.017077 -0.053983 0.008196 0.131919 -0.061827 1Rh 5s -0.002390 -0.021336 0.029218 0.008028 -0.074435 0.057528 1Rh 6s -0.014530 -0.002534 0.166984 -0.076416 -0.398885 0.088978 1Rh 7s 0.066035 -0.164981 -0.695118 0.262036 1.473593 0.164204 1Rh 8s 0.071244 0.600588 -0.731883 0.580636 3.026110 -0.702543 1Rh 1pz 0.001499 -0.003027 -0.001799 0.003173 0.005427 -0.002068 1Rh 1px 0.000064 -0.000957 0.002801 -0.001232 -0.012164 0.007266 1Rh 1py 0.000394 0.000721 0.004437 0.005506 -0.004033 0.002961 1Rh 2pz -0.005273 0.009495 0.006474 -0.010809 -0.018917 0.007419 1Rh 2px -0.000140 0.003207 -0.009979 0.003936 0.042558 -0.025314 1Rh 2py -0.001682 -0.002324 -0.014657 -0.019139 0.014440 -0.010257 1Rh 3pz 0.006693 0.009867 -0.010931 0.006682 0.020227 -0.012159 1Rh 3px -0.001448 -0.000923 0.014840 0.002790 -0.048565 0.027010 1Rh 3py 0.007745 -0.001190 0.000298 0.019232 -0.022777 0.009774 1Rh 4pz -0.000528 -0.083941 0.011215 0.028730 0.015054 0.011976 1Rh 4px 0.006312 -0.012529 -0.008378 -0.031807 -0.022168 0.018626 1Rh 4py -0.021878 0.016409 0.070257 0.023097 0.017097 0.012188 1Rh 5pz 0.020625 0.124746 -0.041955 -0.042244 0.023415 -0.054845 1Rh 5px -0.011518 0.012605 0.047622 0.068293 -0.077770 0.050017 1Rh 5py 0.043702 -0.026727 -0.083244 -0.033940 -0.078162 0.011086 1Rh 6pz -0.346750 -0.156667 0.092027 0.450853 -0.681437 0.489080 1Rh 6px 0.033923 0.232545 -0.939149 -0.576362 1.952131 -1.011636 1Rh 6py 0.046989 -0.016726 -0.253116 1.477373 1.062684 -0.440035 1Rh 1dz2 0.001747 -0.015348 0.001758 0.003311 0.014488 0.008659 1Rh 1dxz -0.001683 0.029187 -0.014722 -0.002366 0.014131 0.004964 1Rh 1dyz 0.013114 0.005791 0.009638 -0.000959 0.006585 0.002929 1Rh 1dx2y2 -0.004720 0.013064 0.015278 0.010018 -0.024493 -0.011531 1Rh 1dxy 0.013208 -0.000871 -0.023036 -0.004795 -0.018922 -0.004813 1Rh 2dz2 -0.000165 0.001807 -0.000224 -0.000406 -0.001146 -0.000326 1Rh 2dxz 0.000028 -0.002966 0.000944 0.000199 -0.000882 -0.000940 1Rh 2dyz -0.001153 -0.000499 -0.001722 0.000607 -0.000703 -0.000376 1Rh 2dx2y2 0.000260 -0.001715 -0.001391 -0.001676 0.001075 0.001670 1Rh 2dxy -0.001228 -0.000089 0.002476 -0.001663 0.001525 0.000544 1Rh 3dz2 -0.002579 0.021604 -0.002374 -0.004707 -0.022773 -0.015142 1Rh 3dxz 0.003085 -0.043198 0.024136 0.003729 -0.023438 -0.005574 1Rh 3dyz -0.020049 -0.008922 -0.011199 -0.000721 -0.009468 -0.003983 1Rh 3dx2y2 0.007845 -0.017651 -0.023403 -0.012210 0.042456 0.015046 1Rh 3dxy -0.019957 0.002018 0.033562 0.016222 0.029987 0.006941 1Rh 4dz2 -0.003599 0.042652 -0.005834 -0.008074 -0.032308 -0.015188 1Rh 4dxz 0.002650 -0.072987 0.029817 0.004415 -0.027591 -0.018398 1Rh 4dyz -0.028499 -0.013285 -0.035306 0.009645 -0.017444 -0.009260 1Rh 4dx2y2 0.009495 -0.038978 -0.036590 -0.032791 0.042932 0.035700 1Rh 4dxy -0.031175 0.000410 0.060138 -0.019685 0.041608 0.012659 1Rh 5dz2 -0.012767 -0.047747 0.026578 -0.011800 0.012835 0.007614 1Rh 5dxz -0.000923 0.024907 0.002911 0.014620 -0.009949 0.046367 1Rh 5dyz -0.036691 -0.002669 0.097283 -0.047182 0.023687 0.034348 1Rh 5dx2y2 -0.000994 0.061156 0.023816 0.037897 0.026308 -0.066834 1Rh 5dxy -0.006315 0.006776 -0.030735 0.182774 0.005011 -0.016480 1Rh 1f0 0.003069 -0.006039 -0.002792 0.003895 -0.009838 -0.007282 1Rh 1f+1 -0.002390 -0.005899 -0.004109 -0.002456 0.003365 0.003145 1Rh 1f-1 0.005531 0.003443 -0.006104 0.007251 0.000118 -0.004082 1Rh 1f+2 0.003809 -0.001105 -0.004353 0.004683 0.006245 0.009380 1Rh 1f-2 -0.004066 0.001916 0.002100 -0.003974 0.005247 0.008637 1Rh 1f+3 0.001062 0.001757 -0.007015 0.001066 0.008861 0.007575 1Rh 1f-3 0.000791 -0.003023 -0.000047 -0.002090 0.009492 -0.000951 2C 1s 0.004997 0.007343 -0.000595 -0.000022 -0.002381 -0.010800 2C 2s 0.012184 0.019987 -0.003783 0.000220 -0.006814 -0.027169 2C 3s -0.012846 -0.086500 0.068952 0.023428 0.035235 0.031812 2C 4s -0.037023 0.549785 -0.728541 -0.133080 -0.229446 -0.110895 2C 5s -2.239114 -6.846711 6.389352 -1.545978 2.697198 10.113429 2C 1pz -0.034060 0.035711 -0.048062 -0.017605 -0.034889 -0.054047 2C 1px 0.141149 0.002817 0.012828 0.049367 0.080618 0.045576 2C 1py 0.029525 0.031808 -0.010849 0.020388 0.001920 -0.025732 2C 2pz -0.096431 0.270336 -0.311649 -0.142491 -0.183294 -0.214599 2C 2px 0.520074 0.035954 0.044843 0.182650 0.271385 0.153377 2C 2py 0.111078 0.251100 -0.122750 0.015137 -0.049678 -0.104281 2C 3pz -0.281180 -1.636859 1.325677 -0.336854 0.911274 2.771493 2C 3px -1.162337 -0.767080 0.775251 -0.493009 -0.561734 0.701865 2C 3py -0.629089 -0.865514 0.859040 -0.659948 0.358422 1.731958 2C 1dz2 0.000702 -0.001615 0.002043 -0.000218 0.000343 0.005155 2C 1dxz -0.002435 -0.002810 0.001602 -0.002208 0.000921 0.004200 2C 1dyz -0.001494 -0.000591 -0.000064 -0.001309 -0.000054 0.004102 2C 1dx2y2 -0.001338 0.002728 -0.002862 0.001351 -0.002637 -0.005221 2C 1dxy -0.001878 0.000044 -0.002839 -0.003281 -0.000312 0.000326 2C 2dz2 0.047713 0.073584 0.039712 -0.018133 0.041830 0.001684 2C 2dxz -0.061172 0.098370 -0.085004 -0.016713 -0.101059 -0.086171 2C 2dyz 0.012665 -0.014739 -0.019843 -0.039913 -0.023003 0.003388 2C 2dx2y2 -0.040891 -0.010822 0.084184 -0.004956 -0.026568 0.042865 2C 2dxy -0.053548 0.030098 -0.004224 0.034562 -0.062770 -0.034672 2C 1f0 0.005653 -0.002611 0.003435 -0.002310 0.005762 0.007644 2C 1f+1 0.002268 0.001944 -0.003978 0.000914 -0.000233 -0.001712 2C 1f-1 -0.004600 0.002400 -0.003933 -0.006590 -0.003123 0.001639 2C 1f+2 -0.002551 0.003863 -0.001424 0.002031 -0.004888 -0.009898 2C 1f-2 -0.006683 -0.000527 -0.000982 -0.000512 -0.002772 0.005613 2C 1f+3 0.004363 0.009485 -0.002055 0.002740 -0.002948 -0.010447 2C 1f-3 0.007602 0.000379 -0.000206 0.001427 0.004096 -0.000131 3C 1s -0.002857 0.006870 0.006885 -0.010637 0.004146 -0.004327 3C 2s -0.007488 0.018869 0.018647 -0.026258 0.010702 -0.010046 3C 3s 0.023227 -0.086635 -0.087938 0.047190 -0.023933 -0.005252 3C 4s -0.167499 0.605351 0.513289 -0.012706 0.053659 0.062912 3C 5s 2.421347 -6.955324 -5.145701 2.747034 -2.723372 3.919067 3C 1pz 0.039448 0.029803 0.047004 -0.007634 -0.015016 -0.003320 3C 1px -0.146087 -0.002785 -0.041209 -0.024959 0.062930 0.002404 3C 1py -0.008694 -0.052211 -0.035632 0.010536 0.011726 0.031268 3C 2pz 0.107055 0.214309 0.314529 -0.107273 -0.031516 -0.014837 3C 2px -0.539358 0.051531 -0.083801 -0.199018 0.239934 0.012202 3C 2py 0.018288 -0.360685 -0.282553 0.132204 0.013060 0.088212 3C 3pz -0.186891 -0.788687 -0.578106 0.402704 -0.187339 0.265107 3C 3px 1.271139 -0.872403 -0.253615 0.117238 -0.825134 0.506322 3C 3py -0.415284 1.732483 1.346502 -0.886648 0.563371 -1.311951 3C 1dz2 -0.000874 -0.001425 -0.000537 -0.000086 0.000503 0.000043 3C 1dxz -0.000097 -0.001742 -0.001888 0.000254 0.001213 0.001150 3C 1dyz 0.000747 -0.000989 -0.000437 0.000669 0.001382 -0.001459 3C 1dx2y2 0.000425 0.004269 0.002618 0.000358 0.000321 -0.003291 3C 1dxy -0.003278 0.001697 0.000178 -0.004292 0.001047 -0.002017 3C 2dz2 -0.022047 0.040422 -0.084843 0.021532 -0.008846 -0.009455 3C 2dxz -0.001332 0.078146 0.040616 0.019789 -0.009599 -0.012161 3C 2dyz 0.034332 -0.005255 0.046439 0.045349 -0.010832 -0.016253 3C 2dx2y2 0.070632 -0.020551 -0.038071 0.039133 -0.065264 0.015441 3C 2dxy -0.064506 -0.085654 -0.112860 0.077434 0.057038 0.028725 3C 1f0 0.001124 -0.004486 -0.007868 0.005651 -0.002649 0.000952 3C 1f+1 -0.006503 -0.001950 -0.005046 0.000386 0.002420 0.000607 3C 1f-1 0.001150 -0.003437 -0.002034 0.003191 -0.001343 0.002781 3C 1f+2 -0.004464 0.005924 0.002986 -0.009605 0.004001 -0.005305 3C 1f-2 0.001968 0.001737 0.001876 -0.001277 0.001075 -0.002818 3C 1f+3 0.003223 0.006756 0.004879 -0.003057 -0.002707 -0.001457 3C 1f-3 0.009477 -0.000647 0.003900 0.001268 -0.004818 0.000541 4C 1s 0.002225 0.003125 -0.009489 0.000556 -0.001157 0.003894 4C 2s 0.004679 0.005080 -0.019987 0.001406 -0.002049 0.009151 4C 3s 0.012190 0.055916 0.030668 -0.027502 -0.001093 0.056770 4C 4s -0.216400 -0.675629 0.354142 0.003852 0.154020 -0.204822 4C 5s 1.869150 5.029594 -5.405791 1.382254 -1.884265 -7.588958 4C 1pz 0.056314 -0.003961 -0.031663 0.032579 0.011087 -0.015253 4C 1px -0.169351 -0.013694 -0.034018 -0.025631 -0.093121 -0.093170 4C 1py -0.046192 0.056681 0.024703 0.008493 0.000713 -0.038119 4C 2pz 0.045355 0.055032 -0.250231 -0.106318 -0.192891 -0.322766 4C 2px -0.067193 0.050701 0.084141 0.395274 0.255969 -0.000133 4C 2py -0.026693 0.225767 -0.049762 0.073299 -0.013565 -0.236687 4C 3pz -1.281100 -2.225683 2.127515 -1.038915 0.677659 4.871517 4C 3px 0.159394 -0.067325 -0.031200 -0.314798 1.552251 1.141368 4C 3py -0.467403 -2.023319 0.868536 -0.630153 0.817780 3.335025 4C 1dz2 -0.007112 0.001697 -0.006284 -0.005296 -0.007590 -0.000691 4C 1dxz 0.007907 0.001934 0.001056 0.002594 0.013327 0.009029 4C 1dyz -0.002362 -0.002727 0.000790 -0.005663 0.001212 0.007477 4C 1dx2y2 0.001765 -0.003658 0.004657 0.001660 0.001359 -0.002790 4C 1dxy 0.006121 -0.003406 0.005795 0.006384 0.010553 0.004749 4C 2dz2 -0.077108 -0.159265 0.138166 -0.103762 -0.024179 0.068883 4C 2dxz 0.126071 -0.025771 0.143445 0.221697 0.182251 0.139216 4C 2dyz -0.027473 -0.110605 0.119942 0.066007 -0.009533 -0.022379 4C 2dx2y2 0.004591 0.055472 -0.170220 0.011076 -0.020991 -0.130355 4C 2dxy 0.083513 0.056737 -0.001098 0.140565 0.107447 -0.026516 4C 1f0 0.000359 -0.001498 0.002107 -0.003034 -0.000652 0.008664 4C 1f+1 0.002333 -0.002010 0.006931 -0.001936 0.005246 0.016746 4C 1f-1 -0.002364 0.001528 -0.003714 -0.007821 -0.005866 0.001008 4C 1f+2 -0.006464 -0.005350 -0.008728 -0.004362 -0.006103 -0.015732 4C 1f-2 0.006249 0.001330 0.001108 0.005311 0.008996 0.003886 4C 1f+3 -0.005838 -0.000797 -0.004425 -0.011883 -0.005213 -0.003831 4C 1f-3 -0.006382 -0.004501 0.004476 -0.014634 -0.004573 0.012326 5C 1s -0.003289 0.009257 0.001796 -0.004141 -0.001488 0.009191 5C 2s -0.007006 0.018988 0.001884 -0.009879 -0.003974 0.021476 5C 3s 0.002799 0.014266 0.087254 0.071631 0.041268 -0.022811 5C 4s 0.155559 -0.678657 -0.790150 -0.259810 -0.253402 -0.149747 5C 5s -2.146783 5.866611 3.662236 -2.767895 1.465598 -2.966647 5C 1pz -0.062174 -0.045502 0.036440 0.021402 0.043631 -0.029374 5C 1px 0.166914 0.003249 0.039807 0.037537 -0.074372 -0.043098 5C 1py 0.020666 -0.040381 0.012029 -0.050020 -0.008382 0.042962 5C 2pz -0.065318 0.067057 0.250896 -0.033257 -0.002840 -0.097091 5C 2px 0.041888 -0.013865 -0.204389 -0.371257 0.219886 -0.069032 5C 2py 0.032693 -0.207968 -0.073134 0.093160 0.044561 0.125166 5C 3pz 0.682354 -1.063164 -1.260911 0.449938 -1.216708 1.457370 5C 3px -0.119671 -0.524061 -0.995859 0.746195 0.642370 0.751789 5C 3py -0.677494 2.484525 1.375922 -0.726566 1.532767 -2.082501 5C 1dz2 0.002980 0.003469 0.006264 0.003578 -0.003032 -0.002570 5C 1dxz -0.004066 0.000989 -0.001339 0.006730 0.003100 -0.000896 5C 1dyz -0.004907 0.002336 -0.000511 -0.002896 0.006705 -0.001431 5C 1dx2y2 -0.003990 -0.007451 -0.011362 -0.008117 0.008458 0.004559 5C 1dxy 0.009206 0.003189 0.008777 0.002740 -0.007989 -0.000538 5C 2dz2 0.056675 -0.002124 0.082326 0.100636 -0.029049 0.035098 5C 2dxz -0.035029 -0.113836 -0.081318 -0.081756 0.121817 0.040480 5C 2dyz -0.097134 0.093779 0.036487 -0.049699 0.068471 0.020131 5C 2dx2y2 -0.130868 0.187513 0.069548 -0.218483 0.067086 -0.067276 5C 2dxy 0.067131 0.086858 0.143234 0.097909 -0.129037 -0.037299 5C 1f0 -0.003990 -0.005188 -0.005984 0.000482 0.004557 0.004204 5C 1f+1 0.007252 -0.003323 0.004932 0.011003 -0.003415 0.003451 5C 1f-1 -0.002848 0.000230 -0.007128 -0.004317 0.002405 -0.000383 5C 1f+2 0.002747 -0.002874 -0.001259 0.002179 0.000284 -0.000770 5C 1f-2 0.007608 0.002687 0.003062 0.007976 -0.012199 -0.003926 5C 1f+3 0.003488 -0.000717 0.004908 0.013551 0.000414 0.005272 5C 1f-3 -0.003484 0.002120 -0.004834 -0.008625 0.001767 -0.005508 6C 1s 0.003249 -0.009072 -0.001656 -0.004048 0.001525 0.009162 6C 2s 0.006922 -0.018575 -0.001565 -0.009637 0.004075 0.021361 6C 3s -0.004162 -0.014846 -0.086672 0.068586 -0.042289 -0.018376 6C 4s -0.145157 0.672364 0.778048 -0.240941 0.262488 -0.183899 6C 5s 2.204646 -5.790513 -3.696240 -2.816348 -1.504435 -2.900726 6C 1pz -0.062756 -0.045549 0.035498 -0.021709 0.044126 0.029061 6C 1px 0.168084 0.005770 0.039600 -0.040414 -0.072336 0.043807 6C 1py 0.021475 -0.040950 0.011167 0.048126 -0.009971 -0.042331 6C 2pz -0.066825 0.066129 0.251513 0.029271 -0.004412 0.095184 6C 2px 0.039540 -0.019147 -0.201241 0.377562 0.219136 0.072102 6C 2py 0.034901 -0.207557 -0.076589 -0.091976 0.044874 -0.126758 6C 3pz 0.700595 -1.040691 -1.261972 -0.495028 -1.254476 -1.416112 6C 3px -0.108421 -0.512437 -0.995224 -0.739812 0.628804 -0.713736 6C 3py -0.713656 2.450916 1.399309 0.814385 1.594753 2.005197 6C 1dz2 -0.003029 -0.003602 -0.006362 0.003656 0.002947 -0.002447 6C 1dxz 0.004022 -0.000972 0.001382 0.006680 -0.003312 -0.000919 6C 1dyz 0.004997 -0.002231 0.000587 -0.003203 -0.006639 -0.001258 6C 1dx2y2 0.004175 0.007613 0.011261 -0.008459 -0.008269 0.004512 6C 1dxy -0.009196 -0.003308 -0.008697 0.002928 0.007758 -0.000384 6C 2dz2 -0.058164 0.000922 -0.077940 0.100365 0.028497 0.038736 6C 2dxz 0.035976 0.114347 0.082532 -0.087876 -0.118466 0.043464 6C 2dyz 0.096407 -0.091123 -0.037430 -0.051313 -0.070570 0.020759 6C 2dx2y2 0.132316 -0.183155 -0.070459 -0.218002 -0.064777 -0.069699 6C 2dxy -0.069978 -0.088856 -0.143926 0.104158 0.130431 -0.038569 6C 1f0 -0.004013 -0.005256 -0.006121 -0.000210 0.004721 -0.004306 6C 1f+1 0.007466 -0.003070 0.004763 -0.011022 -0.003447 -0.003681 6C 1f-1 -0.002903 0.000184 -0.006996 0.004438 0.002369 0.000510 6C 1f+2 0.002713 -0.002813 -0.001233 -0.002240 0.000265 0.000871 6C 1f-2 0.007603 0.002867 0.003108 -0.008512 -0.012002 0.004249 6C 1f+3 0.003722 -0.000606 0.004692 -0.013438 0.000598 -0.005605 6C 1f-3 -0.003684 0.001985 -0.004710 0.008466 0.001746 0.005919 7C 1s -0.002259 -0.003225 0.009488 0.000521 0.001274 0.003769 7C 2s -0.004756 -0.005296 0.019993 0.001397 0.002303 0.008868 7C 3s -0.012297 -0.054697 -0.029954 -0.030618 0.001439 0.059119 7C 4s 0.216308 0.673404 -0.354429 0.029313 -0.159216 -0.214752 7C 5s -1.836020 -5.074784 5.290972 1.258752 1.859189 -7.638195 7C 1pz 0.054963 -0.003798 -0.032870 -0.031564 0.012100 0.015503 7C 1px -0.167986 -0.012222 -0.032038 0.024081 -0.094489 0.094163 7C 1py -0.047064 0.057143 0.026398 -0.007285 0.000982 0.037554 7C 2pz 0.043872 0.056775 -0.244052 0.106692 -0.197788 0.327441 7C 2px -0.066126 0.049632 0.077844 -0.393100 0.273006 -0.000548 7C 2py -0.028134 0.224210 -0.045857 -0.071250 -0.009707 0.238235 7C 3pz -1.255222 -2.249208 2.057397 0.946393 0.666221 -4.870740 7C 3px 0.159196 -0.067356 -0.043022 0.330086 1.534300 -1.129432 7C 3py -0.448578 -2.039366 0.807636 0.577312 0.809461 -3.339363 7C 1dz2 0.007033 -0.001634 0.006047 -0.005203 0.007750 -0.000757 7C 1dxz -0.007736 -0.001745 -0.000894 0.002394 -0.013475 0.009117 7C 1dyz 0.002325 0.002807 -0.000575 -0.005532 -0.001035 0.007340 7C 1dx2y2 -0.001755 0.003715 -0.004758 0.001737 -0.001454 -0.002719 7C 1dxy -0.006183 0.003470 -0.005739 0.006401 -0.010783 0.004851 7C 2dz2 0.077967 0.156253 -0.136215 -0.101548 0.029642 0.072309 7C 2dxz -0.126435 0.026004 -0.135125 0.217674 -0.191551 0.142833 7C 2dyz 0.028102 0.109976 -0.121531 0.069015 0.006155 -0.020611 7C 2dx2y2 -0.005960 -0.057209 0.171062 0.009852 0.021928 -0.134265 7C 2dxy -0.081922 -0.055917 0.004374 0.138898 -0.114753 -0.027953 7C 1f0 0.000399 -0.001594 0.001948 0.003059 -0.000624 -0.008817 7C 1f+1 0.002337 -0.002130 0.006688 0.002137 0.005122 -0.016975 7C 1f-1 -0.002327 0.001482 -0.003584 0.007848 -0.006178 -0.001028 7C 1f+2 -0.006468 -0.005112 -0.008382 0.004143 -0.006481 0.015994 7C 1f-2 0.006241 0.001207 0.000860 -0.005156 0.009357 -0.003973 7C 1f+3 -0.005826 -0.000830 -0.004201 0.011764 -0.005564 0.003904 7C 1f-3 -0.006355 -0.004507 0.004568 0.014653 -0.005142 -0.012595 8C 1s 0.002955 -0.006583 -0.007044 -0.010802 -0.003958 -0.004126 8C 2s 0.007698 -0.018172 -0.018995 -0.026679 -0.010248 -0.009503 8C 3s -0.022313 0.085599 0.087598 0.047668 0.023045 -0.007142 8C 4s 0.157678 -0.605637 -0.507277 -0.009878 -0.057453 0.069312 8C 5s -2.461314 6.870798 5.168533 2.863674 2.816025 3.767710 8C 1pz 0.039681 0.029602 0.047401 0.007291 -0.014845 0.002624 8C 1px -0.147435 -0.004521 -0.041016 0.026825 0.062039 -0.002036 8C 1py -0.008965 -0.051763 -0.036200 -0.009691 0.011425 -0.031460 8C 2pz 0.109772 0.211940 0.313784 0.105738 -0.033815 0.010921 8C 2px -0.543752 0.043640 -0.082885 0.205976 0.234435 -0.012578 8C 2py 0.015254 -0.356138 -0.286270 -0.129128 0.013598 -0.086219 8C 3pz -0.178811 -0.780601 -0.585954 -0.420530 -0.194490 -0.236294 8C 3px 1.292505 -0.859536 -0.261389 -0.148505 -0.845655 -0.503286 8C 3py -0.431301 1.704385 1.356746 0.912911 0.580838 1.273111 8C 1dz2 0.000932 0.001469 0.000530 -0.000085 -0.000576 0.000064 8C 1dxz 0.000067 0.001724 0.001871 0.000238 -0.001101 0.001114 8C 1dyz -0.000688 0.000967 0.000465 0.000609 -0.001401 -0.001433 8C 1dx2y2 -0.000442 -0.004219 -0.002692 0.000357 -0.000410 -0.003267 8C 1dxy 0.003345 -0.001631 -0.000271 -0.004378 -0.000991 -0.001984 8C 2dz2 0.022517 -0.040640 0.082542 0.021245 0.007878 -0.011277 8C 2dxz 0.001029 -0.077525 -0.040957 0.019544 0.006969 -0.011967 8C 2dyz -0.033725 0.003909 -0.045923 0.046065 0.008481 -0.016265 8C 2dx2y2 -0.070748 0.018559 0.038422 0.039704 0.063442 0.015058 8C 2dxy 0.064595 0.085463 0.114568 0.075866 -0.056500 0.027464 8C 1f0 0.000970 -0.004409 -0.008032 -0.005753 -0.002496 -0.000810 8C 1f+1 -0.006626 -0.001857 -0.004959 -0.000150 0.002444 -0.000452 8C 1f-1 0.001206 -0.003292 -0.001908 -0.003203 -0.001266 -0.002679 8C 1f+2 -0.004656 0.005627 0.003112 0.009773 0.003955 0.005133 8C 1f-2 0.001820 0.001757 0.002027 0.001494 0.001136 0.002799 8C 1f+3 0.003094 0.006771 0.004909 0.003076 -0.002525 0.001461 8C 1f-3 0.009558 -0.000385 0.003854 -0.001321 -0.004691 -0.000531 9C 1s -0.005184 -0.007181 0.000388 -0.000091 0.002235 -0.010765 9C 2s -0.012601 -0.019608 0.003266 -0.000016 0.006473 -0.027084 9C 3s 0.013084 0.085679 -0.068042 0.025479 -0.036074 0.032018 9C 4s 0.041902 -0.550247 0.726185 -0.148952 0.241611 -0.117790 9C 5s 2.188692 6.888842 -6.234153 -1.344153 -2.697571 10.147905 9C 1pz -0.033310 0.035420 -0.046254 0.018083 -0.035027 0.054481 9C 1px 0.139953 0.001945 0.010555 -0.047492 0.082413 -0.045966 9C 1py 0.029570 0.031690 -0.011290 -0.020835 0.002480 0.026262 9C 2pz -0.091925 0.267136 -0.305399 0.146444 -0.187071 0.217868 9C 2px 0.516634 0.031661 0.036168 -0.176589 0.279455 -0.155440 9C 2py 0.112394 0.247502 -0.121254 -0.014528 -0.047874 0.107069 9C 3pz -0.268662 -1.636896 1.265029 0.292310 0.897264 -2.759874 9C 3px -1.147941 -0.769646 0.775893 0.450552 -0.571119 -0.709274 9C 3py -0.628420 -0.893458 0.858112 0.641466 0.349610 -1.762642 9C 1dz2 -0.000732 0.001624 -0.001922 -0.000140 -0.000380 0.005067 9C 1dxz 0.002373 0.002778 -0.001599 -0.002136 -0.000850 0.004167 9C 1dyz 0.001457 0.000625 0.000091 -0.001281 0.000108 0.004158 9C 1dx2y2 0.001292 -0.002813 0.002726 0.001359 0.002627 -0.005332 9C 1dxy 0.001977 -0.000005 0.002842 -0.003304 0.000482 0.000278 9C 2dz2 -0.046939 -0.071636 -0.042214 -0.017672 -0.041588 0.001521 9C 2dxz 0.059588 -0.098305 0.084779 -0.017548 0.100104 -0.087983 9C 2dyz -0.014109 0.015566 0.020586 -0.040017 0.023252 0.004089 9C 2dx2y2 0.040604 0.011518 -0.083509 -0.003521 0.025038 0.043825 9C 2dxy 0.053503 -0.031012 0.001773 0.035477 0.063192 -0.036047 9C 1f0 0.005449 -0.002632 0.003212 0.002259 0.005554 -0.007621 9C 1f+1 0.002538 0.001862 -0.003933 -0.000856 0.000033 0.001558 9C 1f-1 -0.004416 0.002346 -0.003868 0.006605 -0.003332 -0.001540 9C 1f+2 -0.002205 0.004004 -0.001396 -0.002127 -0.004736 0.010181 9C 1f-2 -0.006763 -0.000330 -0.001255 0.000504 -0.002983 -0.005253 9C 1f+3 0.004099 0.009333 -0.001947 -0.002573 -0.002924 0.010424 9C 1f-3 0.007833 0.000646 -0.000200 -0.001455 0.004159 0.000462 10H 1s -0.012345 0.029122 -0.022867 -0.001857 -0.023323 -0.048252 10H 2s -0.293319 0.593511 -0.519541 -0.068961 -0.524848 -0.914531 10H 3s 1.139087 0.647686 -0.800073 0.322958 0.543509 -0.247911 10H 1pz -0.007852 0.009787 -0.011212 -0.000866 -0.014296 -0.017016 10H 1px 0.014110 -0.012566 0.011268 -0.000521 0.015481 0.023885 10H 1py -0.001680 0.010884 -0.003967 -0.001966 -0.006605 -0.007082 11H 1s 0.015973 0.023004 -0.009531 -0.000813 -0.002173 -0.019000 11H 2s 0.373484 0.321061 -0.234067 0.078977 -0.002957 -0.400151 11H 3s -0.402961 0.214041 -0.158900 -0.018560 -0.355484 -0.208715 11H 1pz 0.009777 -0.001647 -0.010108 0.007772 -0.001779 -0.017497 11H 1px 0.016264 -0.007499 0.007173 0.002613 0.012326 0.004089 11H 1py 0.002535 0.000792 -0.009949 -0.002033 -0.001502 -0.005131 12H 1s 0.023515 0.021593 -0.019597 -0.000974 0.001230 -0.022308 12H 2s 0.488538 0.485586 -0.197060 0.097474 0.035542 -0.430312 12H 3s -0.668490 0.324004 -0.496703 -0.503055 -0.556064 -0.362680 12H 1pz -0.002103 0.012237 0.002085 0.008728 -0.003280 -0.011474 12H 1px 0.014523 -0.001753 0.012511 0.003371 0.011659 0.006914 12H 1py 0.013479 0.015875 0.005072 0.005592 0.001773 -0.012382 13H 1s 0.009191 0.033667 0.030300 -0.020714 -0.006311 -0.017656 13H 2s 0.261401 0.655865 0.710713 -0.319879 -0.081433 -0.300601 13H 3s -1.318841 0.543920 0.052808 0.095646 0.636029 -0.236299 13H 1pz 0.007178 0.013690 0.023549 -0.010219 -0.001423 -0.007756 13H 1px -0.012506 -0.009484 -0.009580 -0.001696 0.008534 0.005404 13H 1py -0.007690 -0.009522 -0.015439 0.001092 0.000049 0.001531 14H 1s -0.027818 0.029167 0.016658 -0.021930 0.016356 -0.012303 14H 2s -0.547473 0.409211 0.286863 -0.487216 0.387460 -0.189161 14H 3s 0.635091 0.414837 0.502812 -0.140878 -0.281239 -0.213015 14H 1pz -0.005413 0.006689 0.011824 -0.010638 0.006432 -0.006238 14H 1px -0.019150 -0.003708 -0.004053 -0.018060 0.015727 -0.002033 14H 1py 0.001502 0.002789 -0.004780 0.002904 -0.003261 0.000415 15H 1s -0.012500 0.014085 0.017918 -0.014463 0.011792 -0.009698 15H 2s -0.282652 0.389078 0.190665 -0.305688 0.211441 -0.191865 15H 3s 0.231174 0.122825 0.344679 0.001632 -0.003697 0.313603 15H 1pz 0.003155 0.013098 0.005787 0.000960 -0.003689 -0.003887 15H 1px -0.009697 0.001748 -0.011057 -0.004808 0.009515 -0.000951 15H 1py 0.005708 -0.015900 0.008270 0.005170 -0.000477 0.008266 16H 1s -0.006642 0.004460 -0.018049 0.000495 -0.026767 0.017858 16H 2s 0.037725 0.042121 0.106669 0.213367 -0.396129 -0.084247 16H 3s 0.080489 -0.110815 0.430978 -0.402139 0.226100 -0.520764 16H 1pz 0.007665 0.000028 0.016908 0.013879 -0.009285 -0.015234 16H 1px -0.007631 -0.006847 -0.007276 -0.033305 -0.000801 0.003022 16H 1py 0.002320 0.002404 0.013840 0.010190 -0.016765 -0.010452 17H 1s 0.006485 0.010683 0.023827 0.024175 -0.018909 -0.010031 17H 2s -0.014354 0.056464 0.226219 0.242827 -0.430471 -0.163064 17H 3s -0.105982 0.034495 -0.218241 -0.568499 -0.004730 0.094420 17H 1pz 0.003026 -0.001356 -0.005721 0.011028 0.007201 0.001632 17H 1px 0.007434 0.004273 0.004993 -0.012134 0.013369 0.001428 17H 1py -0.000721 0.001524 0.006662 0.008108 -0.022575 -0.004824 18H 1s -0.006350 -0.011742 -0.022795 0.023922 0.018540 -0.009344 18H 2s 0.013727 -0.062391 -0.223872 0.250243 0.429583 -0.163295 18H 3s 0.108020 -0.016369 0.208189 -0.551515 0.012281 0.082315 18H 1pz 0.003087 -0.001146 -0.005883 -0.010609 0.008100 -0.001684 18H 1px 0.007222 0.004352 0.004412 0.012393 0.013733 -0.001974 18H 1py -0.000490 0.001534 0.006721 -0.008972 -0.022075 0.005044 19H 1s 0.007123 -0.004517 0.018271 0.001204 0.026650 0.017564 19H 2s -0.034983 -0.041463 -0.101642 0.227077 0.387725 -0.083207 19H 3s -0.084194 0.106168 -0.441952 -0.411329 -0.208276 -0.507035 19H 1pz 0.007567 -0.000290 0.016106 -0.013992 -0.008371 0.014710 19H 1px -0.007817 -0.006840 -0.006780 0.033618 -0.001876 -0.003194 19H 1py 0.002461 0.002552 0.014370 -0.010949 -0.016703 0.010511 20H 1s 0.012769 -0.013668 -0.018185 -0.014573 -0.011676 -0.009391 20H 2s 0.288908 -0.378818 -0.195289 -0.312470 -0.211183 -0.185064 20H 3s -0.247960 -0.127824 -0.339525 -0.000371 0.003721 0.326378 20H 1pz 0.003255 0.013071 0.005916 -0.000911 -0.003488 0.003876 20H 1px -0.009870 0.001451 -0.010901 0.005285 0.009251 0.000894 20H 1py 0.006015 -0.015560 0.007753 -0.005511 -0.000830 -0.008170 21H 1s 0.027814 -0.028311 -0.017070 -0.022495 -0.015931 -0.011923 21H 2s 0.549429 -0.393189 -0.292846 -0.499340 -0.376624 -0.179443 21H 3s -0.644124 -0.418558 -0.497787 -0.128983 0.276112 -0.203779 21H 1pz -0.005571 0.006462 0.011801 0.010960 0.006233 0.006013 21H 1px -0.019302 -0.004312 -0.003932 0.018454 0.015013 0.001800 21H 1py 0.001572 0.002786 -0.004676 -0.002887 -0.003296 -0.000300 22H 1s -0.009325 -0.033202 -0.030714 -0.020520 0.006148 -0.017340 22H 2s -0.263702 -0.649684 -0.715678 -0.317904 0.077687 -0.290770 22H 3s 1.327584 -0.536854 -0.049550 0.079547 -0.651992 -0.239239 22H 1pz 0.007171 0.013449 0.023363 0.010164 -0.001491 0.007382 22H 1px -0.012542 -0.009580 -0.009841 0.001816 0.008108 -0.005483 22H 1py -0.007712 -0.009613 -0.015519 -0.001180 -0.000034 -0.001199 23H 1s -0.023304 -0.020898 0.019194 -0.001487 -0.001202 -0.022238 23H 2s -0.482573 -0.476271 0.190916 0.088134 -0.039354 -0.429628 23H 3s 0.657863 -0.318664 0.473708 -0.512216 0.565130 -0.350666 23H 1pz -0.002188 0.012575 0.002280 -0.008631 -0.003123 0.011762 23H 1px 0.014200 -0.002048 0.012349 -0.003347 0.011979 -0.007266 23H 1py 0.013361 0.015516 0.005572 -0.005606 0.002250 0.012277 24H 1s -0.016612 -0.022832 0.009432 -0.001169 0.001886 -0.019313 24H 2s -0.383149 -0.318703 0.229682 0.070596 -0.005928 -0.399700 24H 3s 0.414216 -0.222402 0.157912 -0.016698 0.376745 -0.219902 24H 1pz 0.009890 -0.001375 -0.010142 -0.007505 -0.001500 0.017289 24H 1px 0.016451 -0.007644 0.007149 -0.002831 0.012626 -0.004319 24H 1py 0.002474 0.000598 -0.009815 0.002193 -0.001524 0.004968 25H 1s 0.011839 -0.029115 0.021907 -0.002092 0.023363 -0.048592 25H 2s 0.285820 -0.593262 0.501529 -0.074934 0.527106 -0.921639 25H 3s -1.124734 -0.651060 0.811443 0.286582 -0.540459 -0.259459 25H 1pz -0.007637 0.009896 -0.011087 0.000897 -0.014434 0.017347 25H 1px 0.013899 -0.012709 0.010818 0.000436 0.015511 -0.024181 25H 1py -0.001718 0.010452 -0.003501 0.002142 -0.006371 0.006793 26O 1s -0.007397 -0.001171 0.005426 -0.001195 -0.007058 -0.001724 26O 2s -0.017997 -0.003408 0.012582 -0.002635 -0.017531 -0.003447 26O 3s 0.028336 0.017769 -0.013106 0.005338 0.032676 -0.016118 26O 4s 0.088372 -0.064092 -0.095770 0.054808 0.099960 0.156283 26O 5s -0.333090 -0.175315 0.595921 -0.873582 -0.677264 -0.232765 26O 1pz -0.026493 0.010120 0.002134 0.046504 0.030816 0.002209 26O 1px -0.085061 -0.013574 0.007220 -0.038416 -0.053442 -0.027056 26O 1py -0.048308 -0.003395 -0.030610 -0.040068 -0.028946 -0.020084 26O 2pz -0.030218 0.025469 0.056452 0.118984 0.024377 0.025758 26O 2px -0.070393 0.031060 -0.024026 0.060560 -0.027105 -0.089839 26O 2py -0.030292 -0.014340 -0.077050 -0.023063 -0.054564 -0.038794 26O 3pz 0.041886 0.155808 -0.535918 -0.455078 0.133149 -0.608506 26O 3px 0.054157 -0.045236 -0.037092 0.219146 0.467388 -0.049614 26O 3py -0.049126 0.225895 -0.042164 0.163935 0.392547 -0.332309 26O 1dz2 -0.000513 -0.000571 0.000309 -0.002313 -0.003565 0.002100 26O 1dxz -0.001387 0.003120 -0.004150 -0.001861 -0.002366 -0.003668 26O 1dyz -0.001236 -0.000638 -0.000148 -0.001500 -0.002787 -0.000296 26O 1dx2y2 -0.000145 0.000238 0.002604 0.003942 0.003398 -0.001084 26O 1dxy -0.001479 0.000258 0.000256 0.003592 0.002193 -0.002448 26O 2dz2 0.014757 -0.009504 0.012522 0.017494 0.012872 -0.003071 26O 2dxz -0.014360 -0.007319 0.008516 -0.008346 -0.011815 -0.001113 26O 2dyz -0.010140 -0.012971 0.020975 0.004458 -0.010375 -0.008242 26O 2dx2y2 -0.016359 -0.006981 -0.003387 -0.020742 -0.011877 0.003129 26O 2dxy -0.025277 -0.008982 0.007200 -0.030689 -0.018869 -0.000355 26O 1f0 -0.000009 -0.000281 0.001208 -0.000397 -0.000482 -0.000168 26O 1f+1 -0.000476 0.000498 -0.000348 -0.001851 -0.000962 0.000364 26O 1f-1 -0.000153 -0.000659 0.000338 -0.000273 0.000168 -0.000828 26O 1f+2 0.000013 0.000760 -0.000965 -0.000061 0.000018 0.000281 26O 1f-2 0.000054 0.000281 -0.000741 0.000125 0.000899 -0.000280 26O 1f+3 -0.000440 0.000248 -0.000462 -0.000649 0.000267 0.000293 26O 1f-3 -0.000579 0.000330 -0.000246 -0.001906 -0.001569 0.000301 27O 1s 0.008620 -0.003607 0.000975 -0.000356 -0.004835 0.001489 27O 2s 0.021202 -0.008502 0.002892 0.000221 -0.012139 0.003309 27O 3s -0.038858 0.011258 -0.013725 -0.023647 0.024855 -0.005577 27O 4s -0.069904 0.044477 -0.014001 0.077923 0.060391 -0.002914 27O 5s 0.415852 -0.440674 0.415998 0.842332 -0.537858 0.034704 27O 1pz 0.027484 0.030808 -0.007847 -0.067526 0.039926 0.010474 27O 1px 0.091579 -0.003707 0.040796 0.083463 -0.061886 -0.055080 27O 1py -0.032698 0.012109 -0.004910 -0.001353 -0.019210 -0.020403 27O 2pz 0.053062 0.068507 -0.022640 -0.142132 0.043727 0.026183 27O 2px 0.060174 0.041275 0.022077 0.001463 -0.038200 -0.106112 27O 2py -0.013402 0.052510 -0.017561 0.046158 -0.013287 -0.054419 27O 3pz -0.120935 -0.031357 0.189644 0.579809 -0.042417 -0.216722 27O 3px -0.167738 -0.057742 -0.496800 -0.588201 0.271826 -0.089048 27O 3py 0.041574 -0.431418 0.075800 -0.055323 -0.213656 0.431937 27O 1dz2 -0.000853 0.001529 0.002138 0.000743 -0.000774 0.000991 27O 1dxz 0.000229 0.002160 0.001799 0.003637 -0.002727 0.000014 27O 1dyz -0.001269 0.001522 0.000336 0.000438 0.001777 -0.000538 27O 1dx2y2 -0.000005 -0.001337 -0.005602 -0.004930 0.004052 -0.000797 27O 1dxy -0.001499 -0.002942 -0.001468 0.001187 0.000065 0.002116 27O 2dz2 -0.023077 0.007483 -0.005736 -0.025036 0.015156 0.002468 27O 2dxz 0.000677 -0.005608 0.001499 -0.012510 0.001449 0.001850 27O 2dyz -0.003032 0.014035 0.005995 0.001807 0.009207 0.012236 27O 2dx2y2 0.022596 0.007418 0.031762 0.038615 -0.011054 -0.004991 27O 2dxy -0.027976 0.012298 -0.010599 -0.021997 0.015489 -0.002386 27O 1f0 -0.000108 0.000033 0.000236 -0.001354 -0.000150 0.001005 27O 1f+1 0.000549 0.000410 0.001851 0.002132 -0.000633 0.000083 27O 1f-1 -0.000413 0.000181 0.000233 -0.000855 0.000299 0.000040 27O 1f+2 -0.000016 0.000503 0.001206 0.000806 -0.000192 0.000213 27O 1f-2 0.000148 0.000129 0.000321 -0.001134 0.000213 -0.000043 27O 1f+3 0.000639 0.000903 0.001818 0.002492 -0.000563 -0.000611 27O 1f-3 -0.000962 0.000767 -0.000870 -0.000807 0.000686 -0.000606 28O 1s 0.005934 -0.004059 0.004945 0.001024 0.006668 0.008751 28O 2s 0.014969 -0.010014 0.012725 0.002614 0.016958 0.022360 28O 3s -0.034717 0.018405 -0.036523 -0.009357 -0.041015 -0.060564 28O 4s 0.003038 0.015315 0.021151 -0.014143 -0.047547 0.008927 28O 5s 0.167283 0.163488 0.428678 0.783801 0.881617 0.262923 28O 1pz 0.045342 -0.010799 0.062895 0.001362 0.025237 0.047842 28O 1px -0.053393 -0.015093 0.002342 -0.050519 -0.070783 -0.000488 28O 1py 0.035648 -0.021045 0.014240 0.020080 -0.027547 0.004764 28O 2pz -0.017992 -0.017020 0.061031 -0.097952 -0.004203 0.037983 28O 2px -0.053217 -0.041894 0.090686 -0.039564 -0.016305 0.130135 28O 2py 0.041205 -0.066002 0.001172 0.013155 -0.038280 0.009860 28O 3pz 0.230000 0.151355 -0.604678 0.260944 -0.469606 -0.822399 28O 3px 0.249025 0.352433 -0.047673 0.661849 0.291370 -0.190906 28O 3py 0.011690 0.407465 -0.128363 0.056785 -0.088800 -0.354887 28O 1dz2 0.003313 0.002713 -0.002792 0.001450 0.000928 -0.002063 28O 1dxz -0.001938 -0.000067 0.002924 0.001598 0.004385 0.003496 28O 1dyz 0.002235 -0.000194 -0.000130 0.000721 0.003380 0.000359 28O 1dx2y2 -0.001612 -0.002562 0.001944 -0.004810 -0.003108 0.000436 28O 1dxy -0.001253 -0.002383 0.002167 -0.000159 -0.000101 0.001105 28O 2dz2 0.009173 -0.015663 0.017407 0.007194 0.016963 0.018992 28O 2dxz -0.029383 -0.017914 -0.022464 -0.027218 -0.025594 -0.024995 28O 2dyz -0.002398 -0.016132 0.020590 0.005002 0.015772 0.005698 28O 2dx2y2 0.013256 0.001139 0.004450 0.014294 0.013788 0.014306 28O 2dxy -0.010908 -0.008548 -0.001185 -0.013603 -0.004739 -0.006071 28O 1f0 0.000559 0.001077 -0.000113 0.001343 0.000402 0.000587 28O 1f+1 0.001000 0.000386 0.001900 0.001193 0.002106 0.002353 28O 1f-1 0.000014 0.000403 -0.000807 0.000626 -0.000762 -0.001589 28O 1f+2 -0.001210 -0.000899 -0.000591 -0.001121 -0.001486 -0.001948 28O 1f-2 0.000301 -0.000474 0.000700 0.000574 0.000022 0.000096 28O 1f+3 -0.000379 -0.000883 -0.000079 -0.000142 -0.000748 -0.001087 28O 1f-3 0.000210 0.000070 -0.000195 0.000524 0.000317 0.000680 29O 1s 0.000822 0.003936 -0.003273 0.016248 0.003014 0.005408 29O 2s 0.001916 0.008649 -0.007158 0.035893 0.006771 0.012629 29O 3s -0.001553 0.001351 0.000186 0.004057 -0.005666 -0.010848 29O 4s -0.014785 -0.121559 0.136563 -0.481164 -0.133317 -0.154770 29O 5s -0.008015 0.125323 -0.377242 0.496737 0.478800 0.341140 29O 1pz -0.033642 0.025278 -0.086382 -0.017318 -0.033259 0.079054 29O 1px -0.012412 -0.011039 -0.010344 -0.063415 -0.003653 -0.009433 29O 1py -0.001569 -0.016329 -0.022109 -0.058020 0.005476 0.023706 29O 2pz -0.066386 0.053515 -0.171966 -0.007720 -0.063731 0.169011 29O 2px -0.028088 -0.022295 -0.011958 -0.188528 -0.022452 -0.051765 29O 2py -0.007399 -0.037082 -0.028115 -0.151447 0.001531 0.041734 29O 3pz 0.219962 -0.124041 0.490000 0.014157 0.033208 -0.510648 29O 3px 0.101787 0.034817 -0.150799 0.525871 0.444410 0.350880 29O 3py 0.016499 0.108060 0.201260 0.498246 -0.345678 -0.223342 29O 1dz2 0.000478 -0.000409 0.001918 0.000547 -0.003969 -0.001929 29O 1dxz -0.000320 0.001047 0.001548 0.000891 -0.004168 -0.000721 29O 1dyz 0.001398 -0.000666 0.001380 0.000125 0.000277 -0.001462 29O 1dx2y2 -0.000098 -0.000132 -0.001007 -0.000639 0.001772 0.000941 29O 1dxy 0.000449 -0.000458 -0.002467 0.000380 0.004191 0.002009 29O 2dz2 -0.005490 -0.000842 -0.007351 -0.008508 -0.001415 0.002574 29O 2dxz 0.008694 0.006523 0.001696 0.010062 0.004727 -0.005464 29O 2dyz -0.006904 -0.000146 -0.008163 -0.013680 0.006171 0.007863 29O 2dx2y2 0.002541 0.003021 0.009153 0.002825 -0.005453 0.002663 29O 2dxy 0.000353 -0.001461 0.005526 0.029114 -0.022057 -0.007069 29O 1f0 0.000185 0.000222 0.000750 0.001166 -0.001143 -0.000627 29O 1f+1 0.000228 0.000268 -0.000295 -0.000002 0.000504 0.000366 29O 1f-1 0.000505 0.000198 0.001333 0.002143 -0.001623 -0.001112 29O 1f+2 -0.000489 -0.000264 -0.000473 -0.000968 -0.000381 0.000467 29O 1f-2 -0.000330 -0.000377 0.000072 0.000565 -0.001477 0.000000 29O 1f+3 0.000209 0.000268 0.000577 -0.000412 -0.000592 -0.000043 29O 1f-3 0.000239 0.000080 0.000113 0.000248 0.000466 0.000178 30O 1s -0.003920 -0.005894 -0.004422 0.000375 0.007660 0.002967 30O 2s -0.009859 -0.014405 -0.011768 0.002107 0.018972 0.006987 30O 3s 0.021449 0.026464 0.036999 -0.020424 -0.037555 -0.011545 30O 4s 0.007403 0.049567 -0.045573 0.084433 -0.083541 -0.032233 30O 5s -0.088810 -0.340980 -0.192822 -0.299488 0.811962 0.138980 30O 1pz -0.045133 0.006712 -0.009480 0.038110 0.009935 0.010947 30O 1px 0.041113 0.004156 0.024940 -0.000332 -0.060424 0.049890 30O 1py 0.044403 0.053919 0.019974 0.016740 0.003890 -0.006772 30O 2pz -0.025707 0.064636 -0.002238 0.112675 -0.002356 0.014214 30O 2px 0.051480 -0.049960 -0.019144 -0.005429 -0.024890 0.124236 30O 2py 0.002798 0.088760 0.000705 -0.005498 0.031999 -0.003301 30O 3pz -0.143013 -0.042879 0.252217 -0.484070 -0.338063 -0.252724 30O 3px -0.214782 0.199862 0.089572 -0.246676 0.392754 -0.235509 30O 3py 0.277784 -0.559951 -0.289689 0.234053 0.297383 0.262350 30O 1dz2 -0.001358 0.001062 -0.000385 -0.001244 0.000821 -0.000285 30O 1dxz 0.000625 0.001100 -0.001641 -0.000345 0.002708 0.001061 30O 1dyz 0.002914 -0.000742 0.000957 0.000100 -0.001770 0.001097 30O 1dx2y2 0.003760 -0.003558 -0.000417 0.003597 -0.003604 0.001141 30O 1dxy -0.001433 0.003024 0.004457 0.001492 -0.002443 -0.000698 30O 2dz2 -0.001475 0.008620 0.015182 -0.011170 0.000288 0.004076 30O 2dxz 0.018096 -0.000823 0.006223 -0.004490 -0.014366 -0.000573 30O 2dyz 0.006900 0.026408 0.018188 -0.003171 -0.019505 0.001768 30O 2dx2y2 -0.002738 0.011670 0.015243 -0.001395 -0.002868 -0.010179 30O 2dxy -0.025031 0.002847 0.001854 -0.018135 0.021722 0.005287 30O 1f0 -0.000628 -0.000353 -0.000309 -0.000172 0.001400 0.000528 30O 1f+1 0.000075 0.000717 0.000062 -0.000679 0.000465 0.000625 30O 1f-1 0.000212 -0.000162 -0.000049 0.000337 0.000482 0.000374 30O 1f+2 0.000530 -0.000989 -0.000904 -0.000604 0.000222 0.001154 30O 1f-2 0.000726 0.000354 0.000475 -0.000065 -0.001740 0.000019 30O 1f+3 -0.000173 -0.001017 -0.000402 -0.000678 0.001258 0.000603 30O 1f-3 0.000996 -0.000275 -0.000519 -0.000243 -0.001191 -0.000229 31O 1s 0.003915 0.005919 0.004490 0.000093 -0.007558 0.003080 31O 2s 0.009860 0.014454 0.011917 0.001386 -0.018708 0.007259 31O 3s -0.021639 -0.026364 -0.037043 -0.018542 0.036883 -0.012090 31O 4s -0.005791 -0.051527 0.043150 0.084996 0.084544 -0.033493 31O 5s 0.087093 0.353477 0.203996 -0.332705 -0.829754 0.154345 31O 1pz -0.045660 0.005735 -0.008740 -0.037215 0.011468 -0.012085 31O 1px 0.041459 0.004203 0.024860 -0.001359 -0.061138 -0.050041 31O 1py 0.044766 0.053377 0.020869 -0.016594 0.006167 0.006537 31O 2pz -0.026101 0.063458 0.000107 -0.111923 0.000747 -0.015758 31O 2px 0.052208 -0.050394 -0.019922 0.005605 -0.026520 -0.125492 31O 2py 0.002255 0.086387 0.002245 0.007475 0.036974 0.001512 31O 3pz -0.147615 -0.041992 0.252461 0.464778 -0.349336 0.265383 31O 3px -0.216550 0.191603 0.088694 0.264331 0.404765 0.224375 31O 3py 0.288463 -0.548511 -0.293997 -0.221029 0.280271 -0.264827 31O 1dz2 0.001346 -0.001042 0.000413 -0.001250 -0.000843 -0.000325 31O 1dxz -0.000639 -0.001057 0.001709 -0.000459 -0.002778 0.001113 31O 1dyz -0.002973 0.000739 -0.000930 0.000155 0.001770 0.001135 31O 1dx2y2 -0.003795 0.003454 0.000467 0.003703 0.003627 0.001125 31O 1dxy 0.001474 -0.002981 -0.004463 0.001586 0.002363 -0.000655 31O 2dz2 0.001478 -0.008405 -0.014770 -0.011004 -0.000069 0.004332 31O 2dxz -0.018126 0.000538 -0.006137 -0.003634 0.014995 -0.001007 31O 2dyz -0.007107 -0.026582 -0.018509 -0.002244 0.019325 0.001355 31O 2dx2y2 0.002660 -0.011609 -0.015187 -0.001292 0.002739 -0.009883 31O 2dxy 0.025057 -0.002479 -0.001858 -0.019332 -0.021364 0.006022 31O 1f0 -0.000600 -0.000368 -0.000298 0.000220 0.001375 -0.000549 31O 1f+1 0.000066 0.000699 0.000047 0.000724 0.000449 -0.000648 31O 1f-1 0.000219 -0.000171 -0.000094 -0.000304 0.000486 -0.000397 31O 1f+2 0.000551 -0.000980 -0.000913 0.000607 0.000168 -0.001137 31O 1f-2 0.000731 0.000382 0.000466 -0.000040 -0.001750 0.000046 31O 1f+3 -0.000181 -0.001040 -0.000394 0.000722 0.001247 -0.000628 31O 1f-3 0.000988 -0.000254 -0.000497 0.000198 -0.001222 0.000261 32O 1s -0.000735 -0.004229 0.003678 0.015968 -0.003379 0.005412 32O 2s -0.001736 -0.009304 0.008064 0.035282 -0.007564 0.012641 32O 3s 0.001746 -0.001233 -0.000324 0.004003 0.005331 -0.010888 32O 4s 0.011022 0.130086 -0.148079 -0.470124 0.145550 -0.154761 32O 5s 0.015210 -0.137348 0.390706 0.471220 -0.494800 0.341338 32O 1pz -0.034188 0.023806 -0.085873 0.014871 -0.033391 -0.075540 32O 1px -0.012037 -0.012803 -0.008352 0.061599 -0.005071 0.010463 32O 1py -0.002835 -0.015976 -0.023760 0.059839 0.003599 -0.025614 32O 2pz -0.067458 0.050634 -0.171819 0.001540 -0.062904 -0.161494 32O 2px -0.027686 -0.026320 -0.007121 0.183795 -0.026368 0.053600 32O 2py -0.009743 -0.036646 -0.030945 0.154365 -0.003357 -0.046162 32O 3pz 0.219968 -0.120378 0.483144 -0.001986 0.045486 0.483119 32O 3px 0.102221 0.043633 -0.167587 -0.502487 0.459866 -0.357091 32O 3py 0.023335 0.107376 0.207239 -0.515175 -0.331107 0.236195 32O 1dz2 -0.000403 0.000372 -0.001854 0.000687 0.003983 -0.001830 32O 1dxz 0.000340 -0.001062 -0.001542 0.000941 0.004223 -0.000750 32O 1dyz -0.001395 0.000687 -0.001406 0.000158 -0.000209 -0.001417 32O 1dx2y2 0.000125 0.000118 0.001030 -0.000723 -0.001707 0.000951 32O 1dxy -0.000423 0.000432 0.002482 0.000260 -0.004168 0.002005 32O 2dz2 0.005162 0.000425 0.006157 -0.007846 0.001981 0.001889 32O 2dxz -0.008734 -0.006652 -0.001310 0.009658 -0.005887 -0.005169 32O 2dyz 0.006964 0.000140 0.007963 -0.013854 -0.005403 0.007758 32O 2dx2y2 -0.002603 -0.003112 -0.009359 0.003162 0.005051 0.002625 32O 2dxy -0.000793 0.001372 -0.005928 0.030118 0.021309 -0.007609 32O 1f0 0.000167 0.000209 0.000687 -0.001104 -0.001012 0.000570 32O 1f+1 0.000223 0.000263 -0.000367 0.000075 0.000599 -0.000396 32O 1f-1 0.000508 0.000181 0.001319 -0.002220 -0.001639 0.001121 32O 1f+2 -0.000500 -0.000262 -0.000492 0.001054 -0.000329 -0.000504 32O 1f-2 -0.000329 -0.000387 0.000067 -0.000569 -0.001443 -0.000005 32O 1f+3 0.000187 0.000268 0.000583 0.000366 -0.000639 0.000031 32O 1f-3 0.000255 0.000092 0.000132 -0.000275 0.000468 -0.000173 33O 1s -0.005851 0.004176 -0.004786 0.000910 -0.006777 0.008919 33O 2s -0.014757 0.010285 -0.012322 0.002330 -0.017215 0.022776 33O 3s 0.034270 -0.018671 0.035401 -0.008746 0.041527 -0.061470 33O 4s -0.003520 -0.018093 -0.021030 -0.012533 0.049130 0.007559 33O 5s -0.165145 -0.153390 -0.412370 0.760959 -0.912641 0.279441 33O 1pz 0.044076 -0.011404 0.062325 -0.001564 0.026004 -0.048942 33O 1px -0.052780 -0.014577 0.003876 0.048842 -0.072670 0.000610 33O 1py 0.035845 -0.020653 0.013549 -0.021355 -0.028031 -0.005245 33O 2pz -0.019594 -0.017276 0.063234 0.096419 -0.007378 -0.038603 33O 2px -0.052626 -0.042518 0.090376 0.037722 -0.016336 -0.132076 33O 2py 0.041446 -0.065212 0.000115 -0.015232 -0.040746 -0.010534 33O 3pz 0.232012 0.155625 -0.599650 -0.263744 -0.460342 0.833476 33O 3px 0.250525 0.351241 -0.055333 -0.642811 0.311024 0.185700 33O 3py 0.008571 0.406234 -0.126417 -0.052200 -0.078814 0.362686 33O 1dz2 -0.003313 -0.002683 0.002829 0.001373 -0.001011 -0.002121 33O 1dxz 0.001939 0.000099 -0.002826 0.001549 -0.004481 0.003558 33O 1dyz -0.002216 0.000183 0.000166 0.000622 -0.003415 0.000343 33O 1dx2y2 0.001653 0.002546 -0.001982 -0.004686 0.003266 0.000445 33O 1dxy 0.001234 0.002387 -0.002196 -0.000072 0.000092 0.001163 33O 2dz2 -0.008989 0.015429 -0.016310 0.006947 -0.016858 0.019132 33O 2dxz 0.029138 0.017253 0.021729 -0.026499 0.027143 -0.025606 33O 2dyz 0.002642 0.016400 -0.020860 0.005203 -0.016188 0.006258 33O 2dx2y2 -0.013290 -0.001170 -0.003434 0.013820 -0.014173 0.014429 33O 2dxy 0.011163 0.008450 0.001042 -0.013246 0.005288 -0.006482 33O 1f0 0.000563 0.001064 -0.000102 -0.001322 0.000449 -0.000598 33O 1f+1 0.000986 0.000368 0.001841 -0.001138 0.002146 -0.002405 33O 1f-1 0.000000 0.000437 -0.000808 -0.000623 -0.000756 0.001616 33O 1f+2 -0.001203 -0.000875 -0.000521 0.001065 -0.001554 0.001975 33O 1f-2 0.000309 -0.000485 0.000720 -0.000593 0.000060 -0.000124 33O 1f+3 -0.000377 -0.000858 -0.000041 0.000107 -0.000769 0.001108 33O 1f-3 0.000235 0.000056 -0.000207 -0.000521 0.000359 -0.000697 34O 1s -0.008662 0.003464 -0.000986 -0.000301 0.004923 0.001552 34O 2s -0.021302 0.008134 -0.002901 0.000364 0.012317 0.003478 34O 3s 0.039080 -0.010273 0.013288 -0.023928 -0.024606 -0.006237 34O 4s 0.070882 -0.044399 0.016348 0.076723 -0.062840 -0.002764 34O 5s -0.429624 0.426903 -0.410419 0.850261 0.527191 0.056663 34O 1pz 0.026542 0.030248 -0.005537 0.069429 0.037985 -0.010710 34O 1px 0.092647 -0.001468 0.040952 -0.085411 -0.059907 0.054749 34O 1py -0.033014 0.011693 -0.003010 0.001012 -0.020327 0.020463 34O 2pz 0.051273 0.067568 -0.017585 0.145219 0.039268 -0.027108 34O 2px 0.060064 0.042109 0.023489 -0.003182 -0.035969 0.106872 34O 2py -0.013808 0.052340 -0.013575 -0.045723 -0.014558 0.054391 34O 3pz -0.115935 -0.030268 0.178258 -0.586992 -0.018557 0.220349 34O 3px -0.175881 -0.065649 -0.486249 0.586554 0.263853 0.112605 34O 3py 0.044739 -0.428768 0.058915 0.051527 -0.214389 -0.439466 34O 1dz2 0.000821 -0.001547 -0.002112 0.000758 0.000848 0.001057 34O 1dxz -0.000284 -0.002199 -0.001741 0.003751 0.002602 -0.000008 34O 1dyz 0.001264 -0.001477 -0.000346 0.000396 -0.001848 -0.000560 34O 1dx2y2 0.000074 0.001363 0.005545 -0.005035 -0.004014 -0.000932 34O 1dxy 0.001500 0.002941 0.001520 0.001180 -0.000109 0.002129 34O 2dz2 0.023397 -0.006785 0.006083 -0.025385 -0.014835 0.002243 34O 2dxz -0.000631 0.005706 -0.001534 -0.012553 -0.001030 0.001950 34O 2dyz 0.002936 -0.013972 -0.006045 0.001690 -0.008952 0.012139 34O 2dx2y2 -0.023287 -0.008001 -0.031075 0.038887 0.010725 -0.004170 34O 2dxy 0.028224 -0.011755 0.010327 -0.022234 -0.015034 -0.002820 34O 1f0 -0.000106 0.000024 0.000226 0.001369 -0.000213 -0.001019 34O 1f+1 0.000580 0.000435 0.001837 -0.002137 -0.000597 -0.000138 34O 1f-1 -0.000414 0.000174 0.000240 0.000848 0.000265 -0.000038 34O 1f+2 0.000006 0.000517 0.001207 -0.000839 -0.000174 -0.000210 34O 1f-2 0.000151 0.000131 0.000318 0.001156 0.000168 0.000021 34O 1f+3 0.000666 0.000946 0.001794 -0.002489 -0.000536 0.000569 34O 1f-3 -0.000978 0.000734 -0.000853 0.000820 0.000689 0.000645 35O 1s 0.007362 0.001109 -0.005481 -0.001062 0.007078 -0.001673 35O 2s 0.017902 0.003239 -0.012695 -0.002311 0.017554 -0.003326 35O 3s -0.028068 -0.017268 0.012903 0.004821 -0.032476 -0.016408 35O 4s -0.088452 0.063692 0.099522 0.053389 -0.103953 0.155896 35O 5s 0.334397 0.176371 -0.619312 -0.866152 0.723518 -0.215453 35O 1pz -0.025987 0.010968 0.002636 -0.045446 0.032035 -0.001773 35O 1px -0.085269 -0.012892 0.009297 0.037119 -0.055617 0.027115 35O 1py -0.048057 -0.003960 -0.031887 0.039837 -0.029176 0.019934 35O 2pz -0.029563 0.026742 0.056601 -0.118402 0.028368 -0.025099 35O 2px -0.071138 0.032017 -0.021640 -0.061275 -0.025800 0.091391 35O 2py -0.029373 -0.016099 -0.081850 0.022597 -0.051958 0.038686 35O 3pz 0.039160 0.155940 -0.520739 0.463455 0.111074 0.611059 35O 3px 0.055135 -0.048085 -0.045889 -0.221661 0.484365 0.054779 35O 3py -0.050512 0.234814 -0.023629 -0.160695 0.384943 0.341118 35O 1dz2 0.000520 0.000560 -0.000315 -0.002235 0.003692 0.002105 35O 1dxz 0.001376 -0.003119 0.004028 -0.001875 0.002472 -0.003746 35O 1dyz 0.001254 0.000659 0.000111 -0.001454 0.002785 -0.000293 35O 1dx2y2 0.000152 -0.000199 -0.002533 0.003955 -0.003609 -0.001081 35O 1dxy 0.001434 -0.000338 -0.000266 0.003555 -0.002281 -0.002483 35O 2dz2 -0.014844 0.009191 -0.011636 0.017756 -0.013771 -0.003084 35O 2dxz 0.014078 0.006992 -0.008539 -0.008109 0.012202 -0.000937 35O 2dyz 0.010104 0.012962 -0.021321 0.005100 0.010180 -0.007993 35O 2dx2y2 0.016105 0.006712 0.003327 -0.020886 0.012696 0.003183 35O 2dxy 0.025370 0.008995 -0.007597 -0.030716 0.020034 0.000109 35O 1f0 0.000004 -0.000276 0.001205 0.000392 -0.000479 0.000133 35O 1f+1 -0.000472 0.000497 -0.000325 0.001866 -0.001029 -0.000377 35O 1f-1 -0.000166 -0.000647 0.000372 0.000268 0.000157 0.000815 35O 1f+2 -0.000001 0.000728 -0.000964 0.000070 0.000047 -0.000252 35O 1f-2 0.000039 0.000284 -0.000728 -0.000118 0.000887 0.000295 35O 1f+3 -0.000430 0.000270 -0.000475 0.000688 0.000232 -0.000310 35O 1f-3 -0.000568 0.000323 -0.000218 0.001931 -0.001648 -0.000318 216 217 218 219 220 221 0.57515 0.58139 0.58522 0.59088 0.60832 0.61143 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s -0.001695 0.000381 -0.004712 -0.001725 -0.000236 0.000931 0Rh 2s 0.006303 -0.002026 0.011055 0.004799 -0.000213 -0.001181 0Rh 3s -0.005988 0.000966 -0.020640 -0.007092 -0.001511 0.004699 0Rh 4s -0.028306 0.009393 -0.046500 -0.020759 0.001460 0.004297 0Rh 5s 0.022967 -0.013331 -0.023378 0.001131 -0.011057 0.016842 0Rh 6s 0.055021 0.005194 0.348813 0.108338 0.037122 -0.091752 0Rh 7s 0.108044 -0.397264 -2.131347 -0.219307 -0.160645 0.008838 0Rh 8s -0.762288 0.909029 0.400316 -2.257295 -0.236569 1.637850 0Rh 1pz -0.000012 -0.004102 0.005726 -0.002139 0.013238 0.001724 0Rh 1px -0.004785 0.002036 0.004070 -0.001900 0.007383 0.005274 0Rh 1py 0.001249 0.000108 0.000633 -0.009743 -0.011828 -0.001515 0Rh 2pz 0.000099 0.014292 -0.019851 0.007360 -0.045815 -0.005881 0Rh 2px 0.016465 -0.007023 -0.014328 0.006775 -0.025394 -0.018282 0Rh 2py -0.004102 -0.000403 -0.002007 0.033739 0.040686 0.005366 0Rh 3pz -0.001155 -0.015202 0.019527 -0.005970 0.042260 0.003892 0Rh 3px -0.013472 0.006002 0.017526 -0.010046 0.020291 0.017203 0Rh 3py -0.000778 0.000942 -0.001643 -0.031788 -0.032689 -0.007518 0Rh 4pz 0.003605 -0.010770 0.019189 -0.013667 0.062063 0.012562 0Rh 4px -0.029184 0.011960 0.006683 0.004684 0.046979 0.025313 0Rh 4py 0.025840 -0.001595 0.016288 -0.042291 -0.073606 0.004602 0Rh 5pz -0.000958 -0.025364 0.028367 0.009203 0.009567 0.008029 0Rh 5px 0.013374 -0.007686 -0.003310 -0.025807 -0.022753 -0.007882 0Rh 5py -0.062729 0.001832 -0.027539 -0.006623 0.024454 -0.046874 0Rh 6pz -0.339667 0.479141 0.082428 0.386122 -1.178067 -0.867478 0Rh 6px 0.112310 0.036798 1.178599 0.686576 -0.260743 -0.273437 0Rh 6py 0.831003 0.141942 0.399981 -0.428693 0.651138 1.178187 0Rh 1dz2 0.020631 0.009852 0.011185 0.001768 -0.003418 0.000369 0Rh 1dxz 0.011011 0.000133 -0.011676 -0.006694 0.010867 0.004080 0Rh 1dyz -0.012560 -0.000004 -0.005013 -0.005261 0.005871 -0.004814 0Rh 1dx2y2 0.002107 0.011287 -0.012204 -0.004710 0.005118 0.010694 0Rh 1dxy 0.004287 0.003946 0.003450 0.017339 -0.010527 -0.004872 0Rh 2dz2 -0.004769 -0.004085 -0.000434 -0.000689 0.000001 0.001321 0Rh 2dxz -0.002152 -0.001519 0.002485 0.000286 -0.001704 0.000125 0Rh 2dyz 0.001421 0.000537 0.001177 0.000456 -0.001023 0.000729 0Rh 2dx2y2 -0.001518 -0.003929 0.000577 0.000898 -0.000921 -0.001448 0Rh 2dxy -0.000158 -0.001371 -0.001093 -0.001724 0.001819 0.000691 0Rh 3dz2 -0.019985 -0.002087 -0.019707 -0.000524 0.006623 -0.006285 0Rh 3dxz -0.012222 0.005979 0.012104 0.011737 -0.013931 -0.008446 0Rh 3dyz 0.018241 -0.001958 0.004688 0.008243 -0.007060 0.006135 0Rh 3dx2y2 0.002141 -0.005448 0.021035 0.005235 -0.006135 -0.014572 0Rh 3dxy -0.007710 -0.001859 -0.002157 -0.026207 0.012864 0.006486 0Rh 4dz2 -0.084226 -0.063846 -0.017334 -0.011633 0.003475 0.018335 0Rh 4dxz -0.041439 -0.019233 0.048167 0.011129 -0.034883 -0.002489 0Rh 4dyz 0.033085 0.003369 0.022212 0.011498 -0.020949 0.017105 0Rh 4dx2y2 -0.021575 -0.064716 0.018986 0.018310 -0.017262 -0.032765 0Rh 4dxy -0.004906 -0.023407 -0.019258 -0.043814 0.035444 0.016066 0Rh 5dz2 0.155033 0.189520 -0.066508 0.046147 0.017072 -0.110985 0Rh 5dxz 0.097850 0.062608 -0.149761 0.006797 0.069071 -0.024607 0Rh 5dyz -0.029634 0.058346 -0.082004 0.012685 0.067969 -0.065074 0Rh 5dx2y2 0.059751 0.201253 0.095575 -0.040720 0.034873 0.059523 0Rh 5dxy -0.054948 0.091325 0.063765 0.047005 -0.056016 -0.060926 0Rh 1f0 0.002006 0.010049 -0.006173 -0.002726 -0.001167 -0.007230 0Rh 1f+1 0.001287 -0.004744 0.010146 0.007558 -0.003385 0.002152 0Rh 1f-1 -0.010264 0.000072 0.000547 -0.005548 0.004293 -0.002293 0Rh 1f+2 -0.006324 0.002032 -0.004020 0.001621 -0.001423 -0.001300 0Rh 1f-2 0.011639 -0.004450 0.005547 -0.003841 -0.006226 0.007765 0Rh 1f+3 -0.001043 0.007613 0.006697 0.007255 0.005419 -0.002031 0Rh 1f-3 -0.011916 0.011712 0.006956 -0.005638 -0.006298 0.003547 1Rh 1s -0.001671 0.000735 0.004756 0.001720 0.000036 0.000594 1Rh 2s 0.006268 -0.002972 -0.011160 -0.004700 0.000445 -0.000255 1Rh 3s -0.005870 0.002445 0.020828 0.007126 0.000486 0.003311 1Rh 4s -0.028173 0.013458 0.046945 0.020279 -0.002282 0.000292 1Rh 5s 0.023357 -0.013086 0.023518 -0.000019 0.007217 0.016938 1Rh 6s 0.052716 -0.017848 -0.351726 -0.110324 -0.017191 -0.070136 1Rh 7s 0.128462 -0.292673 2.141052 0.241391 0.193443 -0.117183 1Rh 8s -0.796571 1.062745 -0.385498 2.228960 -0.222498 1.650030 1Rh 1pz -0.000156 0.004053 0.005575 -0.002253 0.013127 0.002544 1Rh 1px 0.004831 -0.002228 0.003932 -0.001867 0.008603 -0.003231 1Rh 1py -0.001188 -0.000591 0.000666 -0.009734 -0.011911 -0.000910 1Rh 2pz 0.000487 -0.014104 -0.019326 0.007764 -0.045416 -0.008855 1Rh 2px -0.016631 0.007695 -0.013855 0.006660 -0.029621 0.011269 1Rh 2py 0.003906 0.002101 -0.002124 0.033704 0.041015 0.002970 1Rh 3pz 0.000535 0.014688 0.019009 -0.006529 0.041661 0.009005 1Rh 3px 0.013709 -0.006759 0.017122 -0.009894 0.024299 -0.011829 1Rh 3py 0.000629 -0.003026 -0.001517 -0.031728 -0.033818 0.000922 1Rh 4pz -0.004140 0.011727 0.018611 -0.013371 0.062100 0.010114 1Rh 4px 0.029141 -0.012260 0.005907 0.004746 0.052727 -0.011750 1Rh 4py -0.024281 0.001367 0.016438 -0.042327 -0.070406 -0.020081 1Rh 5pz 0.000451 0.023171 0.028027 0.006097 0.012076 -0.010314 1Rh 5px -0.013326 0.005423 -0.003006 -0.026295 -0.024440 0.002672 1Rh 5py 0.060195 -0.005668 -0.028182 -0.006873 0.012117 0.052042 1Rh 6pz 0.366377 -0.421556 0.091814 0.460749 -1.345524 0.543857 1Rh 6px -0.093397 0.071628 1.180959 0.705171 -0.313267 0.098377 1Rh 6py -0.826217 -0.173323 0.428346 -0.411391 0.913101 -1.010242 1Rh 1dz2 0.020499 0.009635 -0.011857 -0.002413 0.003251 0.002055 1Rh 1dxz 0.010906 0.000370 0.011584 0.006665 -0.011350 0.000253 1Rh 1dyz -0.012253 0.000824 0.004976 0.005184 -0.004437 -0.006258 1Rh 1dx2y2 0.002527 0.011743 0.012035 0.004283 -0.007720 0.008149 1Rh 1dxy 0.003730 0.001639 -0.003520 -0.017495 0.011324 -0.001930 1Rh 2dz2 -0.004773 -0.004081 0.000709 0.000996 -0.000407 0.001176 1Rh 2dxz -0.002144 -0.001510 -0.002372 -0.000178 0.001544 0.000805 1Rh 2dyz 0.001345 0.000412 -0.001197 -0.000501 0.000841 0.000987 1Rh 2dx2y2 -0.001559 -0.003960 -0.000409 -0.000650 0.001195 -0.001104 1Rh 2dxy -0.000062 -0.001088 0.001116 0.001784 -0.001904 0.000150 1Rh 3dz2 -0.019713 -0.001686 0.019866 0.000498 -0.004598 -0.008948 1Rh 3dxz -0.012049 0.005491 -0.012397 -0.012121 0.015539 -0.003862 1Rh 3dyz 0.017968 -0.003028 -0.004548 -0.007926 0.005088 0.007854 1Rh 3dx2y2 0.001507 -0.006187 -0.021400 -0.005436 0.009997 -0.011068 1Rh 3dxy -0.007034 0.001403 0.002198 0.026260 -0.014034 0.003028 1Rh 4dz2 -0.084162 -0.063559 0.021662 0.016338 -0.008946 0.014694 1Rh 4dxz -0.041261 -0.019512 -0.046577 -0.009800 0.033185 0.010905 1Rh 4dyz 0.031669 0.000747 -0.022215 -0.011793 0.016333 0.022235 1Rh 4dx2y2 -0.022597 -0.065619 -0.016619 -0.014587 0.024271 -0.025722 1Rh 4dxy -0.003039 -0.016927 0.019655 0.044804 -0.037813 0.005535 1Rh 5dz2 0.156794 0.191120 0.053437 -0.061282 0.015541 -0.111706 1Rh 5dxz 0.098786 0.064770 0.143779 -0.010035 -0.056183 -0.055755 1Rh 5dyz -0.024227 0.063203 0.078301 -0.014900 -0.050605 -0.079738 1Rh 5dx2y2 0.060204 0.198746 -0.104882 0.027415 -0.046143 0.055841 1Rh 5dxy -0.057056 0.082957 -0.065651 -0.051153 0.067242 -0.039020 1Rh 1f0 -0.002056 -0.010391 -0.005548 -0.001925 -0.003262 0.007629 1Rh 1f+1 -0.001012 0.005936 0.009870 0.007212 -0.002687 -0.002405 1Rh 1f-1 0.010035 -0.000704 0.000444 -0.005437 0.003574 0.003484 1Rh 1f+2 0.006106 -0.002063 -0.004101 0.001606 -0.001636 0.000339 1Rh 1f-2 -0.011520 0.004436 0.005402 -0.004285 -0.004009 -0.009375 1Rh 1f+3 0.000982 -0.006827 0.006957 0.007829 0.004634 0.002961 1Rh 1f-3 0.012052 -0.011616 0.007268 -0.004857 -0.005361 -0.005240 2C 1s 0.003903 0.003159 -0.010298 0.007631 -0.000518 0.003913 2C 2s 0.011509 0.007369 -0.026799 0.017169 -0.000041 0.009842 2C 3s -0.049259 0.004373 0.065542 0.015171 -0.034468 -0.013315 2C 4s 0.264894 -0.210780 -0.024945 -0.382151 0.199474 0.040158 2C 5s -3.614861 1.371782 1.520021 3.032512 -2.743632 -3.481731 2C 1pz 0.004596 -0.023981 0.000702 0.015279 0.012164 0.026837 2C 1px -0.042712 0.020623 0.008635 0.023197 -0.007064 0.004540 2C 1py 0.007736 0.034843 -0.006849 0.021756 -0.063169 -0.003260 2C 2pz 0.047499 -0.107947 -0.094584 0.059236 0.039609 0.092613 2C 2px -0.129014 0.048978 -0.068713 0.111489 -0.001777 0.028558 2C 2py 0.144074 0.179558 -0.118946 0.103037 -0.215605 0.017075 2C 3pz -0.953699 0.434720 0.506139 0.570451 -0.775266 -1.120935 2C 3px 0.299543 -0.031410 -0.429396 0.146990 -0.003521 -0.239203 2C 3py -0.479745 -0.269305 0.452379 0.251454 -0.004686 -0.396891 2C 1dz2 0.000537 0.003070 -0.002913 0.001049 -0.002073 -0.001661 2C 1dxz 0.000086 0.002940 0.002375 0.000452 -0.000505 -0.002497 2C 1dyz -0.001865 -0.001575 0.001568 -0.000651 0.000459 -0.001977 2C 1dx2y2 0.001382 0.001493 0.002681 -0.001192 -0.001385 -0.001044 2C 1dxy 0.000188 -0.002666 0.002007 -0.000365 0.000639 0.000682 2C 2dz2 0.059276 0.123547 0.044630 0.057083 -0.148070 -0.058490 2C 2dxz 0.035050 -0.013010 -0.109726 -0.010632 -0.036612 0.044589 2C 2dyz -0.004535 -0.057296 -0.094378 0.056959 0.049789 0.049690 2C 2dx2y2 0.048026 0.055344 -0.039726 -0.021897 -0.051034 -0.011150 2C 2dxy 0.042665 0.100413 -0.093392 -0.005172 -0.029786 -0.019247 2C 1f0 -0.004639 -0.003475 0.005869 -0.001099 -0.005122 -0.002276 2C 1f+1 -0.001959 -0.004694 -0.002132 0.000797 0.000961 0.000435 2C 1f-1 0.000196 -0.001818 -0.000315 -0.001178 0.000939 0.000281 2C 1f+2 0.001664 -0.001611 -0.007499 0.002368 -0.002966 0.002752 2C 1f-2 -0.000867 -0.002053 0.000859 -0.004843 -0.000536 -0.002951 2C 1f+3 0.005327 0.004380 -0.009151 0.006506 -0.004667 0.003065 2C 1f-3 0.000052 0.002291 0.001621 0.002963 0.000508 0.000080 3C 1s -0.009310 0.001594 -0.005931 -0.011227 -0.006675 0.005919 3C 2s -0.024697 0.003276 -0.014136 -0.028892 -0.014530 0.015060 3C 3s 0.048936 0.011321 -0.001716 0.056738 -0.008966 -0.013154 3C 4s -0.267971 0.053444 0.339088 0.099477 0.196895 -0.176739 3C 5s 9.866773 -3.669848 -1.808775 1.143490 -6.480228 -0.378253 3C 1pz -0.041861 -0.007290 0.013511 -0.035422 -0.018114 0.019164 3C 1px 0.017448 -0.011360 -0.044654 0.005895 -0.007920 0.007382 3C 1py 0.025006 -0.046897 -0.011692 -0.020984 0.064439 -0.002367 3C 2pz -0.246406 -0.095913 0.063791 -0.134578 -0.117716 0.052152 3C 2px 0.070716 -0.030700 -0.220444 -0.063436 -0.068357 0.078266 3C 2py 0.115751 -0.175374 -0.047520 0.027037 0.316955 -0.015146 3C 3pz 1.417356 -0.059826 0.029501 1.089932 -0.703975 -0.660703 3C 3px 1.139750 -0.278404 0.040317 -0.480883 -0.860368 0.157148 3C 3py -2.516989 1.258585 0.351996 -0.136081 1.420042 0.244992 3C 1dz2 0.000139 0.001393 -0.001499 -0.000487 -0.000474 0.000032 3C 1dxz 0.004009 0.000688 0.000294 0.000309 -0.001849 -0.000940 3C 1dyz -0.004601 -0.001991 0.000579 -0.000828 0.002030 0.001989 3C 1dx2y2 -0.004456 0.006009 0.004495 0.001939 0.001664 -0.001021 3C 1dxy -0.001708 0.003383 -0.004668 -0.001268 0.001658 0.000046 3C 2dz2 0.091031 0.168295 0.023802 0.065205 -0.018360 -0.059608 3C 2dxz -0.058382 0.029391 0.004089 0.047237 -0.049084 -0.034154 3C 2dyz -0.031551 -0.002644 0.034933 0.087181 0.110650 -0.038105 3C 2dx2y2 0.032201 0.012960 -0.032139 0.005907 0.034908 -0.004736 3C 2dxy 0.013848 -0.068032 0.070917 0.051105 0.081456 -0.014915 3C 1f0 0.004760 0.000789 0.001998 0.007435 0.003928 -0.003273 3C 1f+1 0.001814 -0.002199 0.000155 0.002559 0.000597 -0.000582 3C 1f-1 0.009027 0.002970 0.001325 0.001976 0.003912 -0.001416 3C 1f+2 -0.009808 0.003585 -0.007796 -0.009257 -0.004224 0.008233 3C 1f-2 -0.007022 0.002203 -0.000396 -0.005121 -0.000233 0.002997 3C 1f+3 0.000391 0.004834 -0.000350 0.000055 -0.005597 -0.000886 3C 1f-3 -0.002361 -0.003204 -0.001457 0.000553 0.002989 0.001172 4C 1s 0.008336 -0.006724 0.004294 -0.003129 0.000391 -0.006554 4C 2s 0.019801 -0.015196 0.010503 -0.005933 -0.000110 -0.016319 4C 3s -0.093390 0.073110 -0.107711 -0.064367 0.100905 0.100795 4C 4s 0.116918 -0.290705 0.591280 0.775183 -0.851914 -0.369039 4C 5s 2.829539 -1.587916 -0.482197 -1.406158 0.810561 1.307881 4C 1pz -0.063943 0.024656 -0.020220 -0.034826 -0.013868 0.031215 4C 1px 0.025820 -0.032989 0.125692 -0.039340 -0.007593 -0.033615 4C 1py -0.011054 0.001486 0.067922 -0.048086 0.062698 0.023601 4C 2pz 0.123508 -0.180044 -0.054674 -0.001984 -0.050666 0.061214 4C 2px -0.026544 0.098266 0.235320 0.245078 -0.173566 -0.146166 4C 2py 0.134201 0.058920 0.080274 0.109810 -0.134133 -0.048830 4C 3pz -0.965361 -0.023987 0.350748 1.430143 -1.373842 -1.936174 4C 3px -0.530352 0.205340 0.665765 0.641365 -0.489810 -0.387101 4C 3py -0.829114 0.538813 0.133620 1.271093 -1.240496 -1.611205 4C 1dz2 -0.002598 0.001572 0.000871 -0.003702 0.008485 0.001971 4C 1dxz -0.007322 0.006959 0.006569 0.002270 0.000696 0.000504 4C 1dyz -0.005069 -0.002751 0.005642 0.001762 -0.008842 -0.002701 4C 1dx2y2 0.011636 -0.002373 -0.001160 0.008139 0.002119 0.002017 4C 1dxy -0.002151 0.001852 0.006225 0.008006 -0.004805 -0.004884 4C 2dz2 -0.085735 -0.162124 -0.003793 -0.080240 0.140323 0.047189 4C 2dxz -0.116524 0.004073 -0.180532 0.067713 0.079396 0.043327 4C 2dyz 0.060149 0.120173 -0.060475 0.051559 -0.036024 -0.015117 4C 2dx2y2 -0.052899 -0.225118 0.115908 0.019693 -0.046829 0.006148 4C 2dxy 0.035516 0.051009 -0.039269 0.111777 -0.107841 -0.054158 4C 1f0 -0.004607 -0.001282 -0.007841 -0.001841 0.009852 0.003316 4C 1f+1 -0.009455 0.007434 -0.005613 -0.004535 0.014313 0.002858 4C 1f-1 -0.001668 -0.000839 -0.004241 -0.004619 0.004313 0.001615 4C 1f+2 0.003579 -0.014033 0.012878 -0.000915 -0.004346 -0.000177 4C 1f-2 -0.001564 -0.000440 -0.001520 0.003662 -0.003276 -0.000549 4C 1f+3 0.004794 -0.000621 0.004732 -0.002313 0.003457 0.000916 4C 1f-3 -0.004496 -0.000039 -0.003944 -0.013744 0.007784 0.003985 5C 1s -0.000021 0.000193 0.001962 0.007210 0.006029 -0.007498 5C 2s -0.000213 0.000024 0.003436 0.017003 0.013289 -0.018085 5C 3s 0.070781 -0.038032 0.002878 -0.127003 0.114066 0.136491 5C 4s -0.085330 0.297456 -0.071830 0.575840 -1.725079 -0.688499 5C 5s -6.969765 2.629485 1.204971 0.265640 2.444827 -0.652304 5C 1pz -0.011522 -0.000149 -0.010998 0.072329 0.017052 -0.013469 5C 1px -0.024769 0.039160 0.140457 -0.012653 0.019864 0.033793 5C 1py 0.006844 -0.005392 -0.002065 -0.016941 -0.097343 -0.018906 5C 2pz -0.322470 -0.041948 0.074850 0.059592 -0.134385 -0.042180 5C 2px 0.172551 0.163088 -0.164050 -0.027909 -0.038544 -0.080143 5C 2py 0.295697 -0.136624 -0.061373 -0.065459 0.254063 0.134962 5C 3pz 2.718661 -1.497185 -0.592617 -0.514903 -2.666039 0.274464 5C 3px 1.418287 -0.835549 -0.213706 1.121778 -1.350874 -1.059933 5C 3py -4.551462 1.618705 0.483685 -0.501051 4.677454 0.608274 5C 1dz2 0.002926 0.001032 0.003085 -0.004259 0.009198 0.006152 5C 1dxz 0.008033 -0.002009 0.001280 0.003099 0.005807 -0.000062 5C 1dyz -0.005790 -0.002913 -0.003811 -0.003520 0.011348 0.002884 5C 1dx2y2 -0.003408 0.002386 -0.005587 -0.005788 -0.002567 -0.003321 5C 1dxy -0.012236 -0.000197 0.003312 -0.006046 0.000002 0.004340 5C 2dz2 -0.098672 -0.206476 0.041153 -0.086465 0.141101 0.071422 5C 2dxz 0.074664 -0.168909 -0.173843 -0.144098 0.158446 0.123393 5C 2dyz 0.160291 0.148754 -0.030637 0.062339 0.018452 -0.054175 5C 2dx2y2 -0.114582 -0.001970 -0.056260 0.154370 -0.128545 -0.076726 5C 2dxy -0.147515 -0.016426 0.255311 0.109524 -0.049101 -0.087278 5C 1f0 0.010460 -0.000142 -0.008274 -0.003811 0.007570 0.002828 5C 1f+1 0.005502 -0.006569 0.009117 -0.006904 0.011514 0.005196 5C 1f-1 0.006713 0.008510 -0.002776 0.001179 -0.003008 -0.002042 5C 1f+2 -0.005584 -0.001797 0.005071 0.005555 -0.000361 -0.001429 5C 1f-2 -0.018648 0.006694 0.013487 0.011440 -0.012554 -0.009714 5C 1f+3 0.007486 -0.008290 0.007274 -0.007582 0.011433 0.008350 5C 1f-3 -0.014319 0.009347 0.004132 0.008671 -0.015082 -0.008301 6C 1s -0.000068 -0.000421 -0.002183 -0.007360 -0.003817 -0.009094 6C 2s -0.000299 -0.001401 -0.003937 -0.017325 -0.007999 -0.021670 6C 3s 0.072306 -0.025845 -0.000554 0.130772 -0.145449 0.106475 6C 4s -0.099843 0.229712 0.057748 -0.603290 1.843105 -0.213075 6C 5s -6.997011 2.566259 -1.209468 -0.408459 -2.202323 -1.345222 6C 1pz 0.011831 0.005238 -0.011157 0.071814 0.013451 0.017435 6C 1px 0.027546 -0.035660 0.140819 -0.011737 0.028842 -0.036217 6C 1py -0.005386 0.006022 -0.001513 -0.016633 -0.099354 -0.006853 6C 2pz 0.328523 0.052955 0.067162 0.054580 -0.136048 0.007246 6C 2px -0.183593 -0.168343 -0.153931 -0.015684 -0.062360 0.073324 6C 2py -0.302081 0.127232 -0.063376 -0.074848 0.279367 -0.064404 6C 3pz -2.709648 1.464224 -0.613691 -0.592281 -2.517807 -0.949311 6C 3px -1.427463 0.925763 -0.219594 1.099522 -1.558003 0.646997 6C 3py 4.523817 -1.699654 0.474039 -0.440743 4.704110 0.630868 6C 1dz2 0.002798 0.001266 -0.003101 0.004281 -0.010400 0.002946 6C 1dxz 0.008161 -0.002261 -0.001291 -0.002884 -0.005670 -0.001650 6C 1dyz -0.005396 -0.002272 0.004055 0.003707 -0.011718 -0.000022 6C 1dx2y2 -0.003103 0.002834 0.005471 0.005450 0.003550 -0.002841 6C 1dxy -0.012564 0.000168 -0.003102 0.006271 -0.001067 0.004069 6C 2dz2 -0.096938 -0.198214 -0.030264 0.102075 -0.159498 0.035959 6C 2dxz 0.081993 -0.150459 0.180294 0.156958 -0.184125 0.070084 6C 2dyz 0.159377 0.145203 0.020278 -0.073198 -0.001054 -0.058872 6C 2dx2y2 -0.116087 -0.015008 0.057429 -0.153031 0.141782 -0.052502 6C 2dxy -0.155261 -0.035335 -0.251655 -0.108287 0.063251 -0.059317 6C 1f0 -0.010776 -0.000552 -0.008068 -0.003837 0.007795 -0.000291 6C 1f+1 -0.005393 0.006241 0.008896 -0.007308 0.012536 -0.002350 6C 1f-1 -0.006791 -0.008505 -0.002276 0.001875 -0.003661 0.001144 6C 1f+2 0.005641 0.002369 0.004914 0.005388 -0.000495 0.000591 6C 1f-2 0.019240 -0.005204 0.013517 0.011867 -0.014369 0.005583 6C 1f+3 -0.007513 0.007695 0.006991 -0.008187 0.013275 -0.006030 6C 1f-3 0.014527 -0.008098 0.004322 0.009304 -0.016696 0.004512 7C 1s 0.008211 -0.006683 -0.004296 0.003369 0.001398 -0.006972 7C 2s 0.019466 -0.015265 -0.010537 0.006479 0.004483 -0.017023 7C 3s -0.089883 0.080644 0.107522 0.059551 -0.121172 0.071195 7C 4s 0.099767 -0.348043 -0.589223 -0.748833 0.901419 -0.072069 7C 5s 2.858234 -1.390176 0.582845 1.543859 -1.148228 0.940680 7C 1pz 0.062848 -0.027439 -0.020813 -0.033286 -0.005850 -0.027010 7C 1px -0.024371 0.034908 0.125147 -0.042456 -0.014004 0.023307 7C 1py 0.010758 -0.003374 0.066719 -0.048581 0.067645 -0.007105 7C 2pz -0.124472 0.170130 -0.063511 -0.015715 -0.028069 -0.082918 7C 2px 0.033647 -0.065136 0.242089 0.245326 -0.201403 0.091975 7C 2py -0.130993 -0.049115 0.084063 0.111030 -0.140875 0.006933 7C 3pz 1.010529 0.149731 0.407308 1.442811 -1.843055 1.327010 7C 3px 0.539370 -0.116374 0.678421 0.673462 -0.564165 0.207357 7C 3py 0.868645 -0.422950 0.216181 1.333875 -1.647339 1.118064 7C 1dz2 -0.002503 0.002046 -0.000844 0.003559 -0.008727 -0.000448 7C 1dxz -0.007523 0.006244 -0.006811 -0.002761 -0.000756 0.000019 7C 1dyz -0.005215 -0.003050 -0.005601 -0.001657 0.009144 0.000083 7C 1dx2y2 0.011693 -0.002695 0.001072 -0.007881 -0.002570 0.001695 7C 1dxy -0.002346 0.000972 -0.006340 -0.008210 0.005814 -0.003054 7C 2dz2 -0.083742 -0.156143 0.012798 0.091182 -0.151498 0.015577 7C 2dxz -0.113236 0.002209 0.182413 -0.064378 -0.087323 0.009968 7C 2dyz 0.059346 0.114715 0.053524 -0.058587 0.040701 -0.006200 7C 2dx2y2 -0.055324 -0.226042 -0.105758 -0.002538 0.037401 0.022854 7C 2dxy 0.034899 0.044267 0.037143 -0.112148 0.118174 -0.028589 7C 1f0 0.004385 0.000855 -0.007901 -0.001887 0.010273 -0.000181 7C 1f+1 0.009193 -0.007654 -0.005427 -0.003909 0.014277 0.001199 7C 1f-1 0.001616 0.000411 -0.004336 -0.004612 0.004567 -0.000697 7C 1f+2 -0.003410 0.014076 0.012262 -0.001905 -0.003774 -0.001748 7C 1f-2 0.001652 0.000772 -0.001551 0.003465 -0.003226 -0.000385 7C 1f+3 -0.004783 0.000535 0.004818 -0.002222 0.003539 -0.000342 7C 1f-3 0.004276 -0.000964 -0.004031 -0.013481 0.008382 -0.001972 8C 1s -0.009277 0.002594 0.006128 0.011194 0.004893 0.007160 8C 2s -0.024594 0.005814 0.014668 0.028850 0.010118 0.017543 8C 3s 0.049293 0.007273 0.000770 -0.057429 0.011761 -0.009139 8C 4s -0.278297 0.030548 -0.342850 -0.104378 -0.143347 -0.224114 8C 5s 9.880346 -3.731928 1.811272 -0.971429 6.373390 1.395781 8C 1pz 0.042495 0.005816 0.012092 -0.036387 -0.011903 -0.021597 8C 1px -0.019328 0.010784 -0.044953 0.005895 -0.005699 -0.007601 8C 1py -0.026779 0.044300 -0.012839 -0.023490 0.061456 0.019985 8C 2pz 0.249755 0.090707 0.054040 -0.142873 -0.095246 -0.071988 8C 2px -0.077482 0.021185 -0.221334 -0.063225 -0.047750 -0.082016 8C 2py -0.124260 0.171803 -0.051503 0.016643 0.302124 0.097385 8C 3pz -1.412659 0.150501 0.053841 1.096124 -0.851829 0.429236 8C 3px -1.134874 0.258683 0.041672 -0.500712 -0.809125 -0.392471 8C 3py 2.517300 -1.267469 0.354732 -0.080832 1.437064 0.145905 8C 1dz2 0.000164 0.001453 0.001443 0.000400 0.000508 0.000131 8C 1dxz 0.004055 0.000634 -0.000401 -0.000466 0.002077 -0.000318 8C 1dyz -0.004557 -0.001912 -0.000381 0.001019 -0.002538 0.001410 8C 1dx2y2 -0.004559 0.005681 -0.004667 -0.002313 -0.001368 -0.001142 8C 1dxy -0.001629 0.003686 0.004528 0.001025 -0.001532 -0.000732 8C 2dz2 0.090670 0.163911 -0.032768 -0.079805 0.034930 -0.042582 8C 2dxz -0.061798 0.024916 -0.004730 -0.047532 0.055327 -0.019380 8C 2dyz -0.033246 -0.010305 -0.034902 -0.085844 -0.098283 -0.070171 8C 2dx2y2 0.032179 0.016502 0.029885 -0.006534 -0.030159 -0.012260 8C 2dxy 0.016295 -0.074098 -0.068070 -0.046490 -0.077162 -0.024817 8C 1f0 -0.004864 -0.000235 0.002180 0.007558 0.002946 0.003782 8C 1f+1 -0.001691 0.002379 0.000001 0.002249 0.000411 0.000257 8C 1f-1 -0.008924 -0.002728 0.001622 0.002174 0.003254 0.002641 8C 1f+2 0.009629 -0.004460 -0.007946 -0.009120 -0.002043 -0.008400 8C 1f-2 0.007079 -0.002663 -0.000622 -0.005135 0.000498 -0.002925 8C 1f+3 -0.000126 -0.004844 -0.000166 0.000255 -0.005781 -0.000562 8C 1f-3 0.002574 0.003009 -0.001605 0.000139 0.003082 -0.000091 9C 1s 0.003948 0.002974 0.010314 -0.007637 -0.000581 0.004335 9C 2s 0.011646 0.007082 0.026831 -0.017169 -0.002654 0.010494 9C 3s -0.049877 0.000846 -0.065606 -0.015445 0.036272 -0.005002 9C 4s 0.267622 -0.172808 0.029549 0.389498 -0.200553 -0.015968 9C 5s -3.702233 1.004003 -1.664679 -3.157353 3.586855 -2.416655 9C 1pz -0.005284 0.023542 -0.001201 0.013043 0.020195 -0.025582 9C 1px 0.043551 -0.017834 0.008349 0.024203 -0.005510 -0.004794 9C 1py -0.006348 -0.033374 -0.005059 0.023627 -0.062300 -0.014489 9C 2pz -0.049261 0.103778 -0.102193 0.049625 0.068151 -0.097189 9C 2px 0.131397 -0.041687 -0.069233 0.111739 0.005039 -0.021562 9C 2py -0.139346 -0.175728 -0.109566 0.113576 -0.206807 -0.078635 9C 3pz 0.980226 -0.351276 0.559676 0.617294 -1.056502 0.822630 9C 3px -0.299232 0.020748 -0.407730 0.145478 -0.078292 0.186912 9C 3py 0.484767 0.303920 0.443289 0.252140 -0.110052 0.356931 9C 1dz2 0.000543 0.002994 0.002694 -0.001292 0.002545 -0.001173 9C 1dxz 0.000047 0.002759 -0.002514 -0.000734 0.001175 -0.001926 9C 1dyz -0.001903 -0.001528 -0.001526 0.000696 0.000068 -0.001877 9C 1dx2y2 0.001396 0.001540 -0.002709 0.001085 0.001574 -0.000602 9C 1dxy 0.000181 -0.002682 -0.002011 0.000579 -0.000836 0.000554 9C 2dz2 0.056270 0.116035 -0.051191 -0.066022 0.160252 -0.009869 9C 2dxz 0.037058 -0.006121 0.110227 0.011757 0.024519 0.046799 9C 2dyz -0.004167 -0.057332 0.096578 -0.051514 -0.061093 0.039175 9C 2dx2y2 0.046223 0.054004 0.034837 0.018244 0.054287 -0.001638 9C 2dxy 0.044985 0.104115 0.091299 -0.001303 0.035840 -0.011008 9C 1f0 0.004822 0.003683 0.005791 -0.001270 -0.005607 0.000798 9C 1f+1 0.001940 0.004499 -0.002256 0.000400 0.001065 -0.000196 9C 1f-1 -0.000176 0.001734 -0.000432 -0.001131 0.001010 -0.000423 9C 1f+2 -0.001829 0.001440 -0.007878 0.002284 -0.001941 -0.003580 9C 1f-2 0.000748 0.001712 0.000694 -0.004817 -0.001393 0.003012 9C 1f+3 -0.005336 -0.004192 -0.008988 0.006443 -0.003714 -0.004366 9C 1f-3 -0.000171 -0.002219 0.001438 0.003373 0.000299 -0.000303 10H 1s 0.013062 -0.007249 -0.002377 0.004290 -0.002983 0.010063 10H 2s 0.338782 -0.055050 -0.294002 0.046352 -0.027555 0.229665 10H 3s -0.201998 -0.062533 0.439384 -0.341158 0.146003 0.055243 10H 1pz 0.006299 0.002496 -0.021003 0.000828 0.000723 0.006248 10H 1px -0.004709 -0.000738 0.000007 -0.001179 0.007361 -0.002287 10H 1py 0.012554 0.007099 -0.014849 0.001657 -0.004252 0.006124 11H 1s 0.004576 0.010033 -0.017396 0.015676 -0.003068 0.009764 11H 2s 0.071276 0.009990 -0.347125 0.234174 0.133512 0.219850 11H 3s 0.495282 0.020153 -0.279508 -0.314838 0.000855 -0.108343 11H 1pz -0.009461 -0.018097 -0.004185 0.001150 0.013168 0.008414 11H 1px -0.002279 0.004142 -0.007640 0.012333 0.001591 0.001033 11H 1py -0.000392 -0.011311 0.002942 -0.004426 0.003948 0.004516 12H 1s 0.006678 0.001093 -0.023284 0.016271 -0.002948 0.020468 12H 2s 0.258104 0.190592 -0.380087 0.283025 -0.181073 0.241438 12H 3s 0.448109 -0.620611 -0.057785 -0.456621 0.634247 0.216819 12H 1pz 0.008903 0.013221 0.006812 -0.003566 -0.003523 -0.006651 12H 1px 0.000981 0.001076 -0.007128 0.009998 -0.001111 0.003073 12H 1py 0.015794 0.019437 -0.005740 0.011317 -0.015960 0.001666 13H 1s -0.033815 0.022286 0.007864 -0.016517 -0.017298 0.007626 13H 2s -0.794468 0.251793 0.097085 -0.304206 -0.225262 0.136534 13H 3s -0.411681 0.217740 0.225401 0.816620 0.733706 -0.479433 13H 1pz -0.025253 -0.003794 -0.003567 -0.005525 -0.003417 0.003615 13H 1px 0.010870 -0.007987 -0.005339 -0.001641 0.006242 0.001225 13H 1py 0.017029 0.004771 0.004670 0.009013 0.002775 -0.004832 14H 1s -0.025329 0.016353 -0.007105 -0.011670 -0.020196 0.003716 14H 2s -0.497769 0.097072 -0.204493 -0.404266 -0.184397 0.239756 14H 3s -0.284583 0.448833 0.459340 0.057288 0.334510 -0.263148 14H 1pz -0.020044 -0.010249 -0.000375 -0.008301 0.005814 0.008299 14H 1px -0.001820 -0.001093 -0.013577 -0.017158 -0.005943 0.012913 14H 1py 0.011311 0.009851 -0.000904 0.006060 -0.008283 -0.007473 15H 1s -0.019889 0.002253 -0.007717 -0.013265 -0.023784 0.012994 15H 2s -0.371574 0.206807 -0.164900 -0.318407 -0.318934 0.226016 15H 3s -0.428995 -0.304613 0.185679 -0.676079 0.345705 0.068260 15H 1pz -0.002024 0.014106 0.008162 0.009399 0.013763 -0.007991 15H 1px 0.003335 0.003804 -0.004658 -0.004618 0.001297 0.001321 15H 1py 0.002538 -0.024854 0.005247 0.008167 0.001672 -0.005187 16H 1s -0.023758 0.031611 -0.012199 -0.025040 0.000033 0.017292 16H 2s -0.112400 -0.023273 -0.213767 0.087166 0.098864 -0.154512 16H 3s 0.340504 -0.666501 -0.370995 0.339323 0.395230 -0.558901 16H 1pz 0.011425 -0.016078 -0.013947 0.018912 -0.000952 -0.015604 16H 1px -0.004221 0.010374 -0.008783 -0.017924 0.004319 0.007675 16H 1py -0.003980 -0.012217 -0.009770 0.008262 0.016824 -0.013109 17H 1s 0.012294 -0.007372 0.007281 -0.015712 -0.002658 0.033655 17H 2s -0.145573 -0.137622 0.014729 0.211998 0.108993 -0.255087 17H 3s 0.016836 0.013449 -0.006694 0.813387 -0.211069 -1.095950 17H 1pz -0.002247 0.006944 -0.004337 -0.013033 -0.001191 0.010146 17H 1px 0.032840 0.001964 0.005160 -0.015434 -0.027252 0.033072 17H 1py -0.007369 -0.008506 -0.003448 0.021863 -0.000108 -0.024260 18H 1s 0.011077 -0.006204 -0.006236 0.017464 -0.006753 0.032707 18H 2s -0.149794 -0.152821 -0.008185 -0.203467 -0.044465 -0.283040 18H 3s 0.021829 -0.048820 -0.018996 -0.836527 0.495349 -1.018654 18H 1pz 0.001649 -0.008601 -0.004134 -0.013408 0.001673 -0.011375 18H 1px -0.032124 -0.003301 0.005351 -0.016360 -0.017862 -0.039651 18H 1py 0.006945 0.009779 -0.003387 0.021045 -0.006483 0.023141 19H 1s -0.023580 0.033744 0.011674 0.022815 -0.004955 0.015932 19H 2s -0.108292 -0.008576 0.214428 -0.084344 -0.060352 -0.173338 19H 3s 0.357200 -0.671045 0.381927 -0.302931 -0.231266 -0.644777 19H 1pz -0.011644 0.015198 -0.014044 0.017103 -0.004888 0.013345 19H 1px 0.003774 -0.011228 -0.008373 -0.016767 0.005773 -0.005551 19H 1py 0.003270 0.012260 -0.010305 0.008132 0.012875 0.017613 20H 1s -0.020320 0.003056 0.008234 0.013391 0.019432 0.017861 20H 2s -0.373353 0.231631 0.166801 0.307278 0.252367 0.295476 20H 3s -0.431732 -0.261592 -0.176535 0.692704 -0.347385 -0.035463 20H 1pz 0.002115 -0.013292 0.008770 0.010319 0.011251 0.011163 20H 1px -0.003760 -0.004178 -0.004724 -0.004378 0.001491 -0.001505 20H 1py -0.002409 0.025855 0.004327 0.006462 0.000742 0.005966 21H 1s -0.025483 0.017008 0.006969 0.010590 0.018541 0.008220 21H 2s -0.492320 0.125742 0.213843 0.399517 0.115363 0.259015 21H 3s -0.296506 0.425376 -0.475293 -0.082620 -0.245479 -0.329839 21H 1pz 0.019823 0.009654 -0.001513 -0.009353 0.008202 -0.005897 21H 1px 0.001123 -0.000321 -0.013938 -0.017074 -0.002576 -0.013171 21H 1py -0.011340 -0.009426 -0.000349 0.006819 -0.010117 0.004795 22H 1s -0.034554 0.022989 -0.008072 0.015406 0.014507 0.011749 22H 2s -0.807108 0.269246 -0.091562 0.295137 0.178549 0.174282 22H 3s -0.413088 0.150172 -0.237874 -0.834105 -0.593060 -0.653805 22H 1pz 0.025289 0.003227 -0.004221 -0.005994 -0.002228 -0.002831 22H 1px -0.011373 0.007762 -0.005398 -0.001962 0.006118 0.000426 22H 1py -0.017214 -0.003791 0.005261 0.009525 0.001496 0.004634 23H 1s 0.006811 0.001363 0.023628 -0.015915 -0.002515 0.021172 23H 2s 0.256607 0.187686 0.376061 -0.287122 0.115072 0.288787 23H 3s 0.463305 -0.565641 0.085114 0.485586 -0.673682 0.034041 23H 1pz -0.008823 -0.013068 0.007422 -0.002841 -0.005169 0.005270 23H 1px -0.000773 -0.000494 -0.006760 0.009680 -0.000303 -0.003402 23H 1py -0.015488 -0.018605 -0.004908 0.012415 -0.015290 -0.005763 24H 1s 0.004692 0.009921 0.017474 -0.016117 0.000361 0.011617 24H 2s 0.075351 0.012915 0.354637 -0.228508 -0.189614 0.197331 24H 3s 0.496495 0.056156 0.258120 0.311564 0.036530 -0.096219 24H 1pz 0.009152 0.017796 -0.005211 -0.000504 0.015455 -0.004741 24H 1px 0.002292 -0.003618 -0.007550 0.012583 0.001658 -0.001045 24H 1py 0.000324 0.010835 0.002351 -0.004970 0.005044 -0.002508 25H 1s 0.013119 -0.006866 0.002969 -0.003370 -0.000263 0.012010 25H 2s 0.344055 -0.039474 0.302673 -0.035869 -0.042920 0.247854 25H 3s -0.202764 -0.048604 -0.425203 0.335974 -0.152780 -0.025788 25H 1pz -0.006606 -0.003152 -0.021206 0.000915 0.002468 -0.005812 25H 1px 0.004874 0.000757 0.000296 -0.001076 0.006071 0.004600 25H 1py -0.012608 -0.007356 -0.014518 0.001984 -0.002527 -0.006516 26O 1s 0.003116 0.000541 -0.000085 -0.001437 0.003066 -0.000160 26O 2s 0.006076 0.000905 -0.000393 -0.004161 0.007357 -0.000721 26O 3s 0.016432 0.005293 0.007928 0.019624 -0.014180 0.005029 26O 4s -0.171957 -0.051847 -0.003820 0.014927 -0.079424 -0.064163 26O 5s 0.273451 0.211514 -0.413551 -0.892753 1.050394 0.721754 26O 1pz 0.036736 -0.007199 -0.025552 0.019268 -0.014003 0.009519 26O 1px -0.050619 0.021656 0.054947 -0.073429 0.029395 0.004083 26O 1py 0.013259 0.007023 -0.029204 0.013436 0.016573 -0.004559 26O 2pz 0.068915 -0.008094 -0.115876 0.056553 -0.037498 -0.002131 26O 2px -0.069908 0.029052 0.123388 -0.061688 -0.020782 -0.024098 26O 2py 0.038293 0.008838 -0.111281 0.077369 -0.016599 -0.016590 26O 3pz 0.060241 0.056124 0.821907 -0.245720 0.002339 0.132938 26O 3px 0.269202 0.021689 0.185048 0.834234 -0.708698 -0.418250 26O 3py -0.162066 -0.313247 0.839363 0.011813 -0.156605 -0.032003 26O 1dz2 -0.002479 -0.001065 -0.003564 -0.002624 0.003304 -0.000123 26O 1dxz 0.000869 -0.000028 0.005762 -0.001260 -0.001000 -0.001245 26O 1dyz 0.001465 0.001561 0.000024 -0.000876 -0.000190 -0.001382 26O 1dx2y2 0.001277 0.002447 0.001167 0.006345 -0.004557 -0.003023 26O 1dxy -0.001639 -0.004898 0.006314 0.001343 -0.000486 0.000181 26O 2dz2 -0.001728 -0.006724 -0.010394 0.014724 -0.008912 -0.009111 26O 2dxz 0.006249 -0.005672 -0.007204 -0.011564 0.009224 0.001998 26O 2dyz 0.000356 0.010894 -0.027417 -0.001726 -0.004753 0.008250 26O 2dx2y2 -0.023112 -0.001258 0.004247 -0.032954 0.016757 0.004107 26O 2dxy -0.005254 -0.002779 -0.006336 -0.026905 0.031440 0.020027 26O 1f0 0.000802 -0.000684 -0.000854 -0.000291 0.000091 0.000107 26O 1f+1 -0.000009 0.000091 -0.000146 -0.001966 0.000490 0.001043 26O 1f-1 -0.000531 0.000400 0.000379 -0.000926 -0.000399 0.001021 26O 1f+2 0.000222 0.001817 -0.000405 -0.000180 -0.001590 -0.000451 26O 1f-2 -0.000582 -0.000077 0.001520 -0.000054 -0.000909 0.000044 26O 1f+3 -0.002559 -0.001985 0.000651 -0.001839 0.001850 0.001345 26O 1f-3 -0.000798 0.000229 -0.000911 -0.001928 0.002522 0.001387 27O 1s -0.000161 -0.002743 0.000911 -0.007578 0.004850 0.007484 27O 2s 0.000955 -0.006888 0.002716 -0.018083 0.010880 0.018405 27O 3s -0.027661 0.020943 -0.013698 0.026073 -0.004016 -0.035203 27O 4s 0.169711 -0.022442 0.019020 0.133566 -0.224577 -0.094008 27O 5s -0.623525 -0.179326 0.397844 -0.831594 1.682701 0.637407 27O 1pz 0.013507 -0.002650 -0.036593 -0.044795 -0.028400 0.018296 27O 1px -0.002785 -0.012504 0.075180 -0.006087 0.058999 0.020747 27O 1py 0.020146 -0.000949 -0.006169 0.023490 0.052795 0.003032 27O 2pz 0.060925 -0.016463 -0.124208 -0.146377 -0.071036 0.075823 27O 2px -0.007027 0.040488 0.038416 0.042969 0.033948 -0.001910 27O 2py 0.003031 0.006423 0.058501 0.069242 0.173386 -0.011752 27O 3pz -0.441365 0.454615 0.634450 0.663878 0.395664 -0.491465 27O 3px 0.076729 0.366792 -0.289167 0.451994 -1.097081 -0.737876 27O 3py 0.612340 -0.286436 -0.526148 -0.563098 -0.591039 0.470212 27O 1dz2 -0.001845 -0.004168 0.000229 -0.001554 0.003528 0.001512 27O 1dxz -0.000834 0.004281 0.004973 0.004418 0.000972 -0.002614 27O 1dyz -0.001323 0.002045 0.001034 0.001269 0.000149 -0.001384 27O 1dx2y2 0.001096 0.004085 -0.000484 -0.000319 -0.006684 -0.001677 27O 1dxy 0.003106 0.000315 -0.003608 -0.003223 -0.002184 0.000778 27O 2dz2 -0.010123 0.000244 -0.020438 0.006876 -0.019863 -0.015131 27O 2dxz -0.008454 0.003264 -0.007753 -0.010346 -0.007688 -0.001023 27O 2dyz 0.001925 0.003129 0.032879 0.009187 -0.010528 -0.005596 27O 2dx2y2 -0.008293 -0.018000 0.033787 -0.006993 0.038311 0.024717 27O 2dxy 0.010077 0.010259 -0.010500 0.026429 -0.017144 -0.016373 27O 1f0 -0.000681 -0.001852 -0.000589 -0.001433 -0.000456 0.000505 27O 1f+1 0.000504 -0.000350 0.001312 -0.001059 0.001127 0.002239 27O 1f-1 -0.000289 -0.000373 0.000162 0.000209 0.000167 -0.000579 27O 1f+2 0.001285 0.000682 0.000879 0.001107 -0.000171 -0.000291 27O 1f-2 0.000075 -0.001686 -0.000699 -0.000745 0.000612 0.001168 27O 1f+3 -0.000344 -0.001063 0.002190 -0.000571 0.002521 0.001778 27O 1f-3 -0.000090 -0.000040 -0.001321 0.003087 0.000061 -0.002461 28O 1s -0.000333 0.004234 -0.009691 -0.001296 0.002978 0.001763 28O 2s -0.002176 0.010985 -0.022662 -0.001973 0.006944 0.003794 28O 3s 0.025532 -0.032037 0.025037 -0.018315 -0.008356 0.002147 28O 4s -0.070485 0.003989 0.168521 0.154954 -0.073434 -0.077920 28O 5s -0.342880 0.470398 -0.360453 -0.366684 0.468914 0.399422 28O 1pz -0.007930 0.008937 -0.039417 0.015399 -0.007841 0.015230 28O 1px 0.090097 -0.060317 0.004441 0.004347 -0.006570 0.000457 28O 1py -0.014192 0.020896 -0.022222 0.019549 -0.005995 -0.020807 28O 2pz 0.039236 -0.043709 -0.001482 0.028427 -0.025695 0.029384 28O 2px 0.103257 -0.053762 -0.054557 0.033888 0.013452 0.009139 28O 2py -0.034420 0.069072 -0.020061 0.057039 -0.035675 -0.073927 28O 3pz 0.037399 -0.265145 -0.051124 -0.223520 -0.136829 -0.065680 28O 3px -0.320385 0.506147 -0.098868 -0.156536 0.227098 0.159320 28O 3py 0.118788 -0.513612 0.008072 -0.239385 0.117166 0.409481 28O 1dz2 -0.000358 0.000874 0.001911 0.000618 -0.000503 0.001437 28O 1dxz -0.001106 0.001124 0.002743 0.000679 0.001520 -0.001761 28O 1dyz -0.000191 -0.000109 0.002273 -0.000919 0.000330 -0.000830 28O 1dx2y2 0.000380 -0.003872 -0.002151 0.000688 0.000648 0.002158 28O 1dxy 0.000123 0.003794 -0.000230 0.001384 -0.001125 -0.001799 28O 2dz2 -0.012326 -0.013356 -0.013137 -0.001410 0.006179 0.003991 28O 2dxz 0.011888 -0.043096 0.026391 -0.006156 -0.001435 -0.010750 28O 2dyz -0.012430 0.013021 0.012482 0.009938 0.004257 -0.003077 28O 2dx2y2 -0.032442 0.000785 -0.004376 -0.006191 0.017015 0.008826 28O 2dxy 0.000931 0.005126 0.021317 -0.003333 -0.014617 -0.006337 28O 1f0 -0.000683 0.001999 -0.000513 -0.000592 -0.001428 -0.000024 28O 1f+1 -0.000819 0.000711 -0.002646 0.000663 0.000411 0.000689 28O 1f-1 -0.000468 -0.001361 -0.000392 0.000018 0.000100 0.000910 28O 1f+2 0.002381 -0.001283 0.001312 -0.000263 -0.001611 -0.001873 28O 1f-2 0.000052 0.001935 -0.001470 0.001249 -0.000530 0.000406 28O 1f+3 0.001699 -0.000410 -0.000497 0.000411 -0.000841 -0.000779 28O 1f-3 0.000550 0.000488 -0.001867 0.000967 0.000373 0.000483 29O 1s -0.004973 0.004770 -0.003873 -0.006537 0.000041 0.009557 29O 2s -0.010556 0.010189 -0.008326 -0.014177 0.000232 0.020943 29O 3s -0.008997 0.005560 -0.006562 -0.005199 -0.001506 0.005196 29O 4s 0.175772 -0.217079 0.135976 0.310596 0.042162 -0.433848 29O 5s -0.192095 0.601968 -0.077995 -0.956120 -0.289670 1.302221 29O 1pz -0.054935 0.077596 0.070161 0.012381 -0.036898 0.001584 29O 1px -0.006297 -0.017349 -0.025874 0.075544 0.005969 -0.136095 29O 1py 0.022129 0.039813 0.030029 -0.110701 -0.039278 0.114796 29O 2pz -0.097338 0.168924 0.149273 0.036859 -0.111887 0.006039 29O 2px 0.001819 -0.034844 -0.057723 0.170176 0.000484 -0.318907 29O 2py 0.060901 0.072694 0.065824 -0.206844 -0.062294 0.234607 29O 3pz 0.290623 -0.492209 -0.625495 -0.162290 0.421586 0.019657 29O 3px 0.077277 0.173245 0.237651 -0.651767 -0.013355 1.169944 29O 3py -0.252023 -0.298190 -0.240563 0.733552 0.205355 -0.928573 29O 1dz2 -0.000419 -0.000548 -0.003110 0.000147 0.001408 -0.001852 29O 1dxz -0.000928 -0.001199 0.000357 0.002505 0.000706 -0.002887 29O 1dyz 0.001149 -0.001291 -0.004416 -0.001441 0.001529 0.000631 29O 1dx2y2 0.000298 0.001091 0.001965 -0.001692 -0.000637 0.002377 29O 1dxy 0.000901 0.001934 0.000532 -0.004423 -0.001604 0.006217 29O 2dz2 -0.012122 0.008077 0.002238 -0.007110 0.003428 -0.002332 29O 2dxz 0.013944 -0.004570 0.011955 0.000078 -0.006323 0.008128 29O 2dyz -0.001354 0.008850 0.012099 -0.000487 -0.003432 0.004324 29O 2dx2y2 0.012916 -0.010531 -0.007013 0.007374 -0.006597 0.008302 29O 2dxy -0.022865 -0.011098 -0.007597 0.016782 0.011654 -0.035343 29O 1f0 -0.000168 -0.001190 0.000089 0.002048 0.000573 -0.001733 29O 1f+1 0.000732 0.000355 0.000385 -0.000277 -0.000982 0.000609 29O 1f-1 0.000055 -0.001707 -0.000516 0.002121 0.000580 -0.002218 29O 1f+2 -0.000734 0.000700 -0.000531 -0.001087 0.000552 0.000299 29O 1f-2 -0.001873 -0.000364 -0.000975 0.000797 0.001341 -0.002053 29O 1f+3 0.001193 -0.000068 -0.000158 -0.000226 -0.000716 0.000769 29O 1f-3 0.000735 -0.000052 0.000132 -0.000615 -0.000369 0.000948 30O 1s 0.003412 -0.006259 -0.005027 -0.003710 0.003379 0.002953 30O 2s 0.009552 -0.014968 -0.012323 -0.008967 0.007935 0.006548 30O 3s -0.044317 0.021347 0.025887 0.020340 -0.010291 -0.004411 30O 4s 0.073520 0.089121 0.037457 0.014479 -0.158516 -0.089269 30O 5s 0.448007 -0.139414 -0.609279 -0.202895 1.843548 0.522030 30O 1pz 0.007123 -0.036313 -0.049014 -0.018410 0.024473 0.035564 30O 1px -0.048231 0.000336 0.035145 -0.036291 -0.082177 -0.015372 30O 1py -0.023705 0.017705 0.049080 0.025478 0.016713 0.009779 30O 2pz -0.082049 -0.087433 -0.012779 -0.027673 -0.000743 0.037502 30O 2px 0.041027 -0.059368 -0.012451 -0.127378 -0.109458 0.010456 30O 2py 0.024020 0.013564 -0.015379 0.008803 0.117103 0.081066 30O 3pz -0.047915 0.588675 0.152948 0.455928 -0.513372 -0.298813 30O 3px 0.110455 0.374833 -0.336854 0.061461 1.235839 0.288449 30O 3py 0.513699 -0.206419 0.006914 -0.311175 0.092492 -0.151960 30O 1dz2 0.001007 0.002048 0.000463 0.001616 0.001155 -0.000893 30O 1dxz 0.001367 -0.003780 -0.001303 -0.002294 0.006428 0.003192 30O 1dyz 0.002599 0.000307 -0.001452 -0.003620 0.000898 0.001656 30O 1dx2y2 -0.000791 -0.003168 0.000384 -0.003826 -0.004642 0.000037 30O 1dxy -0.006381 0.000153 0.000229 0.001602 -0.003868 -0.000803 30O 2dz2 -0.024601 -0.011070 -0.007106 -0.002886 -0.012752 -0.004544 30O 2dxz -0.034177 -0.013740 0.024766 0.002731 -0.024961 -0.009663 30O 2dyz -0.014625 0.019068 0.015660 0.016103 -0.037004 -0.016606 30O 2dx2y2 -0.009103 -0.007141 0.004120 0.009166 0.012888 0.005607 30O 2dxy 0.020975 -0.009233 -0.032879 -0.016504 0.030824 0.015373 30O 1f0 0.002621 -0.000199 -0.000700 -0.000279 0.001117 0.000197 30O 1f+1 -0.000390 -0.001231 -0.001378 -0.001024 0.000043 -0.000203 30O 1f-1 -0.001118 -0.002032 -0.000164 -0.001507 0.000906 0.000511 30O 1f+2 -0.000493 -0.001248 -0.000009 -0.000446 -0.001449 -0.000696 30O 1f-2 -0.002043 0.000221 0.002285 0.001675 -0.002025 -0.001128 30O 1f+3 0.000619 0.000768 -0.001875 -0.001512 -0.000728 -0.000193 30O 1f-3 -0.001821 -0.000048 0.000691 0.000387 -0.001454 -0.000604 31O 1s 0.003667 -0.005761 0.005249 0.004069 -0.003925 0.001775 31O 2s 0.010193 -0.013747 0.012848 0.009800 -0.009129 0.003825 31O 3s -0.045847 0.018505 -0.026455 -0.021118 0.010868 -0.001586 31O 4s 0.071012 0.086084 -0.040626 -0.022134 0.174240 -0.038636 31O 5s 0.490706 -0.076987 0.598652 0.222145 -1.905922 0.009402 31O 1pz -0.009430 0.031776 -0.051257 -0.022006 0.033717 -0.028119 31O 1px 0.049636 -0.000741 0.034388 -0.035447 -0.083564 -0.009229 31O 1py 0.025055 -0.014392 0.049094 0.025311 0.019680 -0.008003 31O 2pz 0.080373 0.083761 -0.019681 -0.036027 0.013061 -0.040717 31O 2px -0.042286 0.050682 -0.014319 -0.129584 -0.104499 -0.042775 31O 2py -0.024630 -0.014931 -0.014926 0.006156 0.133961 -0.047744 31O 3pz 0.069523 -0.537460 0.184765 0.502266 -0.585220 0.170303 31O 3px -0.128076 -0.398483 -0.317904 0.077959 1.260982 0.073236 31O 3py -0.529190 0.179053 0.004855 -0.307703 0.048900 0.148333 31O 1dz2 0.000957 0.001883 -0.000588 -0.001727 -0.000830 -0.001309 31O 1dxz 0.001560 -0.003471 0.001470 0.002630 -0.007070 0.001334 31O 1dyz 0.002684 0.000653 0.001400 0.003590 -0.001257 0.001291 31O 1dx2y2 -0.000836 -0.002949 -0.000208 0.004030 0.004440 0.001273 31O 1dxy -0.006531 -0.000025 -0.000134 -0.001566 0.003863 0.000131 31O 2dz2 -0.024700 -0.010953 0.007770 0.003640 0.013339 -0.001080 31O 2dxz -0.035105 -0.015520 -0.023702 -0.001918 0.025946 -0.002200 31O 2dyz -0.016068 0.016869 -0.016391 -0.017399 0.040052 -0.006572 31O 2dx2y2 -0.009258 -0.008015 -0.003526 -0.008340 -0.014296 0.001929 31O 2dxy 0.022158 -0.006430 0.032985 0.017052 -0.033203 0.004791 31O 1f0 -0.002681 0.000131 -0.000667 -0.000257 0.001117 0.000020 31O 1f+1 0.000339 0.001081 -0.001422 -0.001087 -0.000007 0.000215 31O 1f-1 0.001072 0.001911 -0.000273 -0.001654 0.001030 -0.000178 31O 1f+2 0.000495 0.001236 -0.000054 -0.000505 -0.001577 0.000301 31O 1f-2 0.002142 0.000031 0.002283 0.001680 -0.002223 0.000514 31O 1f+3 -0.000645 -0.000918 -0.001824 -0.001442 -0.000801 0.000124 31O 1f-3 0.001851 0.000110 0.000666 0.000399 -0.001540 0.000116 32O 1s -0.005089 0.005421 0.004057 0.006550 -0.002866 0.008857 32O 2s -0.010818 0.011598 0.008724 0.014202 -0.006408 0.019381 32O 3s -0.008891 0.006239 0.006826 0.005354 -0.000272 0.005010 32O 4s 0.179566 -0.244027 -0.142690 -0.309865 0.083708 -0.415830 32O 5s -0.201793 0.662735 0.086735 0.943228 -0.070928 1.310108 32O 1pz 0.057053 -0.071113 0.072067 0.021225 -0.035988 -0.006134 32O 1px 0.005077 0.022839 -0.024381 0.077473 -0.029321 0.137256 32O 1py -0.019747 -0.047119 0.030764 -0.108369 -0.009820 -0.120467 32O 2pz 0.102828 -0.155153 0.153481 0.055147 -0.108119 -0.026098 32O 2px -0.003969 0.047059 -0.054016 0.174148 -0.080756 0.317444 32O 2py -0.056557 -0.086175 0.067982 -0.201758 -0.003786 -0.243310 32O 3pz -0.314265 0.427280 -0.635080 -0.222348 0.416614 0.057300 32O 3px -0.072266 -0.217866 0.230499 -0.661162 0.283023 -1.172636 32O 3py 0.238646 0.340261 -0.253832 0.712208 -0.025397 0.953610 32O 1dz2 -0.000413 -0.000270 0.002949 -0.000198 -0.000849 -0.002162 32O 1dxz -0.001004 -0.001425 -0.000391 -0.002536 0.000099 -0.003231 32O 1dyz 0.001282 -0.000854 0.004514 0.001603 -0.001695 0.000304 32O 1dx2y2 0.000210 0.001089 -0.002050 0.001568 0.000040 0.002432 32O 1dxy 0.000889 0.002204 -0.000581 0.004326 0.000010 0.006540 32O 2dz2 -0.011573 0.006839 -0.002231 0.005992 -0.003128 -0.003749 32O 2dxz 0.014116 -0.003970 -0.011923 0.001548 0.003436 0.011278 32O 2dyz -0.001922 0.007665 -0.012357 -0.000380 0.002279 0.005015 32O 2dx2y2 0.013440 -0.010716 0.007057 -0.006513 0.005065 0.009724 32O 2dxy -0.021879 -0.011790 0.007965 -0.016322 -0.002263 -0.037405 32O 1f0 0.000136 0.001202 0.000119 0.001877 0.000096 0.001640 32O 1f+1 -0.000749 -0.000459 0.000417 -0.000372 -0.000801 -0.000980 32O 1f-1 -0.000015 0.001769 -0.000577 0.002031 0.000066 0.002341 32O 1f+2 0.000688 -0.000802 -0.000493 -0.001109 0.000603 -0.000184 32O 1f-2 0.001826 0.000374 -0.000969 0.000808 0.000759 0.002352 32O 1f+3 -0.001107 0.000052 -0.000159 -0.000211 -0.000466 -0.000821 32O 1f-3 -0.000762 0.000010 0.000137 -0.000615 -0.000159 -0.001021 33O 1s -0.000151 0.004540 0.009459 0.001016 -0.003100 0.000463 33O 2s -0.001749 0.011638 0.022081 0.001224 -0.007127 0.000833 33O 3s 0.025034 -0.031470 -0.023655 0.020821 0.006548 0.004109 33O 4s -0.073549 -0.007074 -0.168016 -0.156975 0.088337 -0.036343 33O 5s -0.330571 0.463477 0.355076 0.342926 -0.548292 0.160793 33O 1pz 0.008051 -0.008073 -0.039418 0.015604 -0.003469 -0.016012 33O 1px -0.090150 0.058659 0.003937 0.000642 -0.005914 -0.008687 33O 1py 0.014573 -0.019877 -0.021272 0.021755 -0.011860 0.017447 33O 2pz -0.038198 0.045879 -0.003181 0.025897 -0.014675 -0.043113 33O 2px -0.104105 0.053299 -0.053489 0.030384 0.014346 -0.014393 33O 2py 0.035760 -0.064598 -0.016476 0.063932 -0.054915 0.054881 33O 3pz -0.037497 0.227571 -0.064635 -0.245767 -0.152211 0.056972 33O 3px 0.314574 -0.502759 -0.091328 -0.125185 0.256082 -0.022638 33O 3py -0.125414 0.487237 -0.023178 -0.287244 0.226814 -0.327170 33O 1dz2 -0.000375 0.000785 -0.001925 -0.000644 0.000147 0.001272 33O 1dxz -0.001208 0.000707 -0.002809 -0.000692 -0.001045 -0.002152 33O 1dyz -0.000181 -0.000090 -0.002245 0.000930 -0.000144 -0.000881 33O 1dx2y2 0.000444 -0.003700 0.002313 -0.000426 -0.001222 0.002224 33O 1dxy 0.000045 0.003564 -0.000014 -0.001671 0.001638 -0.001341 33O 2dz2 -0.011989 -0.013363 0.013687 0.002328 -0.006995 0.001851 33O 2dxz 0.011567 -0.042553 -0.024987 0.008775 0.003199 -0.007387 33O 2dyz -0.012918 0.010884 -0.012784 -0.010715 -0.003387 -0.003502 33O 2dx2y2 -0.032117 0.000962 0.005032 0.006192 -0.018912 0.002105 33O 2dxy 0.000558 0.004218 -0.021616 0.002966 0.015691 -0.001569 33O 1f0 0.000682 -0.002027 -0.000444 -0.000441 -0.001434 -0.000273 33O 1f+1 0.000763 -0.000733 -0.002624 0.000714 0.000545 -0.000540 33O 1f-1 0.000445 0.001301 -0.000490 -0.000094 0.000337 -0.000824 33O 1f+2 -0.002326 0.001294 0.001317 -0.000340 -0.002002 0.001285 33O 1f-2 -0.000056 -0.001869 -0.001392 0.001384 -0.000449 -0.000484 33O 1f+3 -0.001697 0.000409 -0.000492 0.000389 -0.001009 0.000466 33O 1f-3 -0.000571 -0.000487 -0.001829 0.000998 0.000448 -0.000309 34O 1s -0.000058 -0.002040 -0.000732 0.007756 -0.006485 0.006183 34O 2s 0.001163 -0.005219 -0.002293 0.018550 -0.014962 0.015484 34O 3s -0.027314 0.018727 0.013016 -0.027750 0.012865 -0.034309 34O 4s 0.165323 -0.036056 -0.021820 -0.131696 0.237921 -0.032541 34O 5s -0.620673 -0.106058 -0.373370 0.856103 -1.792704 0.211102 34O 1pz -0.014696 -0.001595 -0.037039 -0.044497 -0.023177 -0.024624 34O 1px 0.004245 0.013404 0.073616 -0.008547 0.064593 -0.008705 34O 1py -0.021166 0.001626 -0.006605 0.024007 0.053030 0.009992 34O 2pz -0.063648 0.002193 -0.125191 -0.146324 -0.051055 -0.087030 34O 2px 0.008267 -0.036363 0.039028 0.043380 0.034605 0.011921 34O 2py -0.004589 -0.001308 0.057194 0.070846 0.168881 0.048952 34O 3pz 0.451894 -0.387993 0.651050 0.690508 0.264940 0.540446 34O 3px -0.083065 -0.322372 -0.266769 0.490235 -1.258534 0.438434 34O 3py -0.610829 0.226931 -0.524206 -0.585996 -0.476050 -0.568040 34O 1dz2 -0.001856 -0.004024 -0.000007 0.001832 -0.003886 0.000397 34O 1dxz -0.001014 0.003825 -0.005177 -0.004739 -0.000269 -0.002569 34O 1dyz -0.001313 0.001897 -0.001108 -0.001373 0.000160 -0.001252 34O 1dx2y2 0.001160 0.004017 0.000293 -0.000007 0.006969 0.000266 34O 1dxy 0.003167 0.000689 0.003508 0.003166 0.002053 0.001138 34O 2dz2 -0.009623 -0.000167 0.020266 -0.007088 0.023205 -0.011096 34O 2dxz -0.008244 0.004106 0.007697 0.009860 0.007879 0.001394 34O 2dyz 0.001207 0.001068 -0.033045 -0.009669 0.011336 -0.000215 34O 2dx2y2 -0.008898 -0.018037 -0.032601 0.008589 -0.044133 0.016103 34O 2dxy 0.010118 0.008210 0.009736 -0.027502 0.020800 -0.011840 34O 1f0 0.000669 0.001724 -0.000671 -0.001550 -0.000312 -0.000588 34O 1f+1 -0.000459 0.000279 0.001279 -0.001122 0.001672 -0.002060 34O 1f-1 0.000281 0.000408 0.000147 0.000205 0.000017 0.000688 34O 1f+2 -0.001224 -0.000561 0.000936 0.001164 -0.000259 0.000221 34O 1f-2 -0.000080 0.001598 -0.000776 -0.000869 0.000890 -0.000844 34O 1f+3 0.000366 0.001052 0.002105 -0.000676 0.002952 -0.001189 34O 1f-3 0.000057 0.000227 -0.001301 0.003090 -0.000549 0.002485 35O 1s 0.003149 0.000582 0.000022 0.001454 -0.002900 -0.000747 35O 2s 0.006183 0.001097 0.000261 0.004246 -0.006865 -0.002113 35O 3s 0.015753 0.003172 -0.008023 -0.020387 0.012041 0.007640 35O 4s -0.170725 -0.047618 0.005184 -0.010103 0.093723 -0.039075 35O 5s 0.290086 0.271793 0.421375 0.859650 -1.192673 0.383615 35O 1pz -0.037319 0.007796 -0.026323 0.017796 -0.010356 -0.018112 35O 1px 0.050830 -0.023949 0.054157 -0.071783 0.030792 0.002776 35O 1py -0.013668 -0.007261 -0.027403 0.013654 0.014096 0.009927 35O 2pz -0.070484 0.007833 -0.117092 0.053133 -0.035715 -0.016936 35O 2px 0.071514 -0.027936 0.121820 -0.061348 -0.022801 0.018856 35O 2py -0.038542 -0.008122 -0.106589 0.076187 -0.022527 0.017160 35O 3pz -0.049917 -0.042713 0.824756 -0.227396 0.037374 -0.112031 35O 3px -0.254349 0.041622 0.203736 0.831660 -0.793269 0.187879 35O 3py 0.172040 0.345728 0.812007 -0.004155 -0.138415 -0.039519 35O 1dz2 -0.002390 -0.000755 0.003680 0.002634 -0.003159 -0.001282 35O 1dxz 0.000812 -0.000045 -0.005781 0.001194 0.001276 -0.001000 35O 1dyz 0.001489 0.001683 -0.000178 0.000767 0.000607 -0.001423 35O 1dx2y2 0.001198 0.001923 -0.001327 -0.006428 0.005183 -0.001461 35O 1dxy -0.001690 -0.005111 -0.006073 -0.000929 0.000237 0.000664 35O 2dz2 -0.001785 -0.007356 0.010657 -0.013958 0.010795 -0.007053 35O 2dxz 0.006671 -0.004603 0.007481 0.011749 -0.009428 0.000745 35O 2dyz 0.000322 0.011106 0.027160 0.001068 0.002971 0.006917 35O 2dx2y2 -0.022734 0.000704 -0.003677 0.032680 -0.017280 -0.000882 35O 2dxy -0.004684 -0.000791 0.006866 0.027078 -0.035323 0.011005 35O 1f0 -0.000808 0.000636 -0.000869 -0.000354 0.000120 -0.000180 35O 1f+1 -0.000019 -0.000243 -0.000150 -0.001937 0.000711 -0.000942 35O 1f-1 0.000542 -0.000422 0.000364 -0.000901 -0.000148 -0.001060 35O 1f+2 -0.000220 -0.001825 -0.000312 -0.000056 -0.001684 0.000163 35O 1f-2 0.000613 0.000144 0.001504 -0.000035 -0.000866 -0.000231 35O 1f+3 0.002535 0.001847 0.000518 -0.001963 0.002161 -0.000791 35O 1f-3 0.000730 -0.000422 -0.000944 -0.001905 0.002775 -0.000746 222 223 224 225 226 227 0.61509 0.62588 0.63825 0.64811 0.65067 0.65310 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s -0.002235 -0.005810 -0.000672 -0.000069 0.001423 -0.000355 0Rh 2s 0.005227 0.012580 0.002810 0.001016 -0.002495 -0.001136 0Rh 3s -0.009804 -0.026110 -0.002182 0.000228 0.006760 -0.002772 0Rh 4s -0.022012 -0.052254 -0.012787 -0.004919 0.009925 0.006195 0Rh 5s -0.011486 -0.043418 0.012963 0.010812 0.018168 -0.026803 0Rh 6s 0.168143 0.466719 0.015603 -0.017909 -0.129966 0.076637 0Rh 7s -1.259214 -2.303572 0.122627 0.094727 0.515644 -0.628003 0Rh 8s 1.194372 -2.077030 -0.545361 0.090130 1.250893 0.624340 0Rh 1pz -0.013451 -0.000628 -0.006034 -0.007839 0.003609 -0.002532 0Rh 1px 0.000128 0.001416 -0.003949 0.001473 0.000687 -0.003993 0Rh 1py -0.012426 0.003497 0.004989 -0.016385 0.003459 0.008034 0Rh 2pz 0.046247 0.002013 0.020532 0.027076 -0.012468 0.008689 0Rh 2px -0.000629 -0.004866 0.013645 -0.005026 -0.002503 0.013694 0Rh 2py 0.042872 -0.012152 -0.017384 0.056366 -0.011375 -0.027860 0Rh 3pz -0.036846 0.001361 -0.011836 -0.023838 0.011030 -0.006440 0Rh 3px 0.003691 0.003307 -0.011909 0.003145 0.004817 -0.010199 0Rh 3py -0.036993 0.011858 0.018305 -0.044652 -0.001006 0.026428 0Rh 4pz -0.084714 -0.015835 -0.056962 -0.040023 0.018042 -0.017918 0Rh 4px -0.007768 0.015042 -0.022535 0.012962 -0.006846 -0.026430 0Rh 4py -0.067266 0.015979 0.013566 -0.105544 0.057961 0.035059 0Rh 5pz 0.033139 0.031248 0.064863 -0.014156 0.012961 -0.001709 0Rh 5px -0.006069 -0.040151 0.013837 -0.010647 0.023409 -0.006827 0Rh 5py -0.000268 -0.010202 0.034557 0.026976 -0.054663 0.016701 0Rh 6pz 0.424034 -0.812148 -0.461308 0.807420 -0.816808 1.082176 0Rh 6px 0.715236 1.253586 -0.056385 -0.038312 -0.390870 0.583148 0Rh 6py 1.276028 -0.278076 -0.314883 1.529267 -0.984795 -0.289264 0Rh 1dz2 0.008069 0.002501 -0.002134 -0.003461 -0.006253 -0.002644 0Rh 1dxz -0.010464 0.008882 0.002802 -0.003826 0.010638 -0.005291 0Rh 1dyz 0.002799 -0.003287 0.000474 -0.003722 -0.010525 -0.008549 0Rh 1dx2y2 -0.001359 -0.007439 -0.000326 -0.002472 -0.012235 -0.003554 0Rh 1dxy -0.016209 0.011383 -0.003569 -0.002240 0.041071 -0.009589 0Rh 2dz2 -0.000607 -0.000765 0.000496 0.000724 0.001316 0.000647 0Rh 2dxz 0.002902 -0.000992 -0.001311 0.000318 -0.001389 0.001322 0Rh 2dyz -0.000373 0.000163 0.000645 0.001448 0.001164 0.001900 0Rh 2dx2y2 -0.000658 0.000711 -0.000020 0.000662 0.001513 0.000059 0Rh 2dxy 0.001891 -0.001365 0.001030 -0.000004 -0.007650 0.001888 0Rh 3dz2 -0.013158 -0.001702 0.001957 0.003617 0.006755 0.002338 0Rh 3dxz 0.008217 -0.013054 0.000130 0.006224 -0.015040 0.004775 0Rh 3dyz -0.003911 0.005727 -0.003702 0.001039 0.015793 0.008507 0Rh 3dx2y2 0.005423 0.011354 0.000698 0.002016 0.017686 0.006739 0Rh 3dxy 0.023553 -0.016473 0.002535 0.004482 -0.048264 0.010675 0Rh 4dz2 -0.015447 -0.011956 0.011152 0.015012 0.023344 0.013221 0Rh 4dxz 0.050887 -0.022057 -0.022836 0.006880 -0.029284 0.024436 0Rh 4dyz -0.007606 0.005269 0.010053 0.025824 0.025196 0.037925 0Rh 4dx2y2 -0.010065 0.015967 0.000429 0.012395 0.032849 0.003770 0Rh 4dxy 0.042614 -0.031949 0.019910 0.000933 -0.148530 0.038376 0Rh 5dz2 -0.022958 0.001761 -0.063124 -0.058766 -0.017229 -0.073004 0Rh 5dxz -0.158742 -0.024622 0.113111 0.024505 0.039714 -0.090441 0Rh 5dyz 0.008259 0.027868 -0.090181 -0.132545 0.050480 -0.168810 0Rh 5dx2y2 0.105433 0.073810 -0.007681 -0.047307 -0.030761 0.036826 0Rh 5dxy -0.040469 0.087025 -0.088844 0.015369 0.305586 -0.122197 0Rh 1f0 -0.008211 -0.006762 0.002875 -0.006105 -0.002839 -0.003064 0Rh 1f+1 -0.010375 -0.003569 -0.009955 0.007536 0.000417 0.020232 0Rh 1f-1 -0.001927 0.006737 0.003271 -0.016707 -0.006670 -0.014018 0Rh 1f+2 0.006908 0.013054 0.004775 -0.006473 -0.011311 -0.010038 0Rh 1f-2 0.000027 0.000616 -0.000297 0.009543 -0.000279 0.032323 0Rh 1f+3 0.001257 0.009966 -0.004399 -0.002364 -0.009228 -0.004305 0Rh 1f-3 0.001188 -0.000189 0.001919 -0.004297 0.019112 -0.018756 1Rh 1s 0.002275 0.005853 -0.000703 -0.000193 -0.001405 -0.000184 1Rh 2s -0.005264 -0.012504 0.002870 0.001232 0.002068 -0.001404 1Rh 3s 0.010011 0.026403 -0.002326 -0.000362 -0.006916 -0.001945 1Rh 4s 0.022130 0.051806 -0.013032 -0.005777 -0.007847 0.007235 1Rh 5s 0.012358 0.045857 0.012645 0.009198 -0.023007 -0.024243 1Rh 6s -0.172327 -0.474295 0.018279 -0.006463 0.138614 0.060314 1Rh 7s 1.251658 2.354486 0.095602 0.054843 -0.599979 -0.549107 1Rh 8s -1.095062 2.057827 -0.478111 -0.056316 -1.142101 0.686072 1Rh 1pz -0.013379 -0.000510 0.005946 0.008039 0.002747 0.002293 1Rh 1px -0.000124 0.001441 0.003763 -0.001378 0.001201 0.004155 1Rh 1py -0.012532 0.003205 -0.004216 0.016502 0.000767 -0.008940 1Rh 2pz 0.045997 0.001604 -0.020242 -0.027769 -0.009486 -0.007835 1Rh 2px 0.000247 -0.004952 -0.012993 0.004679 -0.004259 -0.014243 1Rh 2py 0.043230 -0.011143 0.014717 -0.056710 -0.002090 0.030935 1Rh 3pz -0.036587 0.001715 0.011825 0.024512 0.008270 0.005147 1Rh 3px 0.002828 0.003369 0.011130 -0.002479 0.005980 0.010438 1Rh 3py -0.037143 0.011005 -0.015974 0.043795 -0.008802 -0.028025 1Rh 4pz -0.084421 -0.015172 0.055654 0.040789 0.014174 0.018708 1Rh 4px -0.008875 0.015213 0.022348 -0.013859 -0.002957 0.028255 1Rh 4py -0.068565 0.014275 -0.009619 0.110373 0.042332 -0.043628 1Rh 5pz 0.032718 0.030860 -0.064131 0.015519 0.011519 -0.002583 1Rh 5px -0.005565 -0.040254 -0.015823 0.013501 0.024005 0.005059 1Rh 5py 0.002640 -0.009332 -0.032703 -0.033012 -0.053351 -0.013722 1Rh 6pz 0.442177 -0.792564 0.496329 -0.878255 -0.852679 -1.022951 1Rh 6px 0.718683 1.258082 0.087093 0.005763 -0.468301 -0.569940 1Rh 6py 1.204991 -0.298808 0.249594 -1.632547 -0.794896 0.441456 1Rh 1dz2 -0.007909 -0.002654 -0.002635 -0.002854 0.006498 -0.002596 1Rh 1dxz 0.010610 -0.008703 0.003481 -0.004544 -0.010808 -0.005709 1Rh 1dyz -0.003197 0.003219 0.000632 -0.002566 0.009525 -0.009839 1Rh 1dx2y2 0.002013 0.007459 -0.000126 -0.000780 0.012093 -0.005305 1Rh 1dxy 0.015979 -0.011562 -0.003476 -0.006997 -0.041736 -0.005356 1Rh 2dz2 0.000640 0.000782 0.000645 0.000596 -0.001334 0.000621 1Rh 2dxz -0.002891 0.000963 -0.001379 0.000398 0.001544 0.001413 1Rh 2dyz 0.000464 -0.000151 0.000604 0.001335 -0.001009 0.002066 1Rh 2dx2y2 0.000534 -0.000722 -0.000062 0.000412 -0.001613 0.000309 1Rh 2dxy -0.001851 0.001415 0.001048 0.000872 0.007818 0.001075 1Rh 3dz2 0.012705 0.001921 0.002310 0.002961 -0.007159 0.002360 1Rh 3dxz -0.008550 0.012826 -0.000904 0.007297 0.014703 0.005208 1Rh 3dyz 0.004292 -0.005650 -0.003843 -0.000760 -0.014506 0.010349 1Rh 3dx2y2 -0.006169 -0.011345 0.000492 -0.000255 -0.016978 0.009126 1Rh 3dxy -0.023280 0.016607 0.002282 0.010107 0.048829 0.005803 1Rh 4dz2 0.015819 0.012400 0.013726 0.012804 -0.023802 0.012684 1Rh 4dxz -0.050847 0.021452 -0.024493 0.008657 0.031948 0.026160 1Rh 4dyz 0.009411 -0.004998 0.009412 0.023316 -0.021821 0.041310 1Rh 4dx2y2 0.007597 -0.016150 -0.000466 0.007278 -0.034264 0.009032 1Rh 4dxy -0.041685 0.032920 0.020032 0.018040 0.151969 0.022698 1Rh 5dz2 0.017807 -0.002187 -0.071060 -0.058636 0.014468 -0.067038 1Rh 5dxz 0.156624 0.027146 0.113697 0.022514 -0.057185 -0.092471 1Rh 5dyz -0.015149 -0.029168 -0.090211 -0.141023 -0.061444 -0.164039 1Rh 5dx2y2 -0.099487 -0.074633 -0.003696 -0.040890 0.042865 0.028091 1Rh 5dxy 0.035688 -0.092098 -0.090787 -0.020455 -0.319532 -0.088291 1Rh 1f0 -0.007957 -0.006583 -0.003280 0.005647 -0.002762 0.004123 1Rh 1f+1 -0.010385 -0.003767 0.009598 -0.007884 -0.001353 -0.019319 1Rh 1f-1 -0.001904 0.006862 -0.003085 0.016048 -0.006691 0.014354 1Rh 1f+2 0.006903 0.012993 -0.005009 0.005371 -0.010477 0.011377 1Rh 1f-2 -0.000383 -0.000041 0.000612 -0.009758 -0.003453 -0.032604 1Rh 1f+3 0.001326 0.010076 0.003859 0.001441 -0.008950 0.005820 1Rh 1f-3 0.000697 -0.000111 -0.001160 0.006337 0.020515 0.015748 2C 1s 0.005128 0.003848 -0.004311 -0.002762 0.005932 -0.004352 2C 2s 0.011376 0.011434 -0.012270 -0.007994 0.016553 -0.013185 2C 3s -0.006129 -0.065756 0.035140 0.042536 -0.023448 0.039679 2C 4s -0.045694 0.280500 -0.235432 -0.233344 0.069505 -0.134778 2C 5s 5.296514 -3.806780 3.417365 0.620092 -6.129426 -0.983644 2C 1pz 0.057864 -0.017612 -0.023794 -0.004105 -0.014010 -0.005137 2C 1px -0.013586 -0.045497 0.003478 -0.001884 0.000019 -0.009100 2C 1py 0.013599 0.010915 0.003602 -0.003078 -0.000876 0.008454 2C 2pz 0.318553 0.033780 -0.097682 -0.104429 -0.030687 0.033260 2C 2px -0.050938 -0.145653 0.003397 0.038688 0.017815 -0.137766 2C 2py 0.096432 0.036968 -0.075730 0.021394 -0.089885 -0.085520 2C 3pz 1.152907 -0.603351 1.053719 -0.104687 -1.229438 0.034102 2C 3px 0.786318 0.184007 -0.015691 -0.107302 -0.069146 -0.864984 2C 3py 0.883353 -0.916709 0.208405 0.258087 -1.297312 -0.584124 2C 1dz2 -0.000607 -0.002759 0.000072 -0.000659 -0.001595 -0.002329 2C 1dxz 0.003205 0.004914 0.002113 -0.000891 -0.000560 0.000417 2C 1dyz 0.003022 -0.000531 0.002809 -0.000627 -0.001880 -0.000104 2C 1dx2y2 -0.001169 0.001762 0.002468 0.000527 0.002302 0.003117 2C 1dxy 0.001744 0.001621 -0.001650 0.001458 -0.004899 -0.002117 2C 2dz2 0.046526 0.091483 0.044108 0.042819 0.007600 0.014301 2C 2dxz -0.030425 -0.087680 -0.102029 -0.017841 0.022665 -0.044794 2C 2dyz 0.113125 -0.046957 -0.069518 -0.004526 -0.020724 -0.108259 2C 2dx2y2 -0.057494 -0.032933 -0.032710 0.040632 -0.003852 -0.119362 2C 2dxy -0.012640 0.003800 0.047804 -0.100055 0.188165 0.069568 2C 1f0 0.000399 0.001797 -0.001052 0.002710 -0.008525 -0.000603 2C 1f+1 0.002556 -0.003655 0.001437 0.000978 0.002294 -0.000503 2C 1f-1 0.005246 0.002646 0.000036 -0.002076 -0.004024 0.007175 2C 1f+2 -0.000081 0.001050 -0.004848 -0.001274 0.008392 -0.004860 2C 1f-2 -0.004272 -0.003913 0.003859 0.002509 -0.003548 0.001033 2C 1f+3 0.003134 0.000114 -0.004859 0.002830 0.004318 -0.007183 2C 1f-3 0.002573 0.000285 0.000856 0.000934 -0.001183 -0.000436 3C 1s 0.001766 0.001460 0.002212 0.003550 -0.004011 0.003223 3C 2s 0.004997 0.002038 0.007204 0.010380 -0.010962 0.008066 3C 3s -0.020941 0.035533 -0.023546 -0.039828 -0.006021 -0.013369 3C 4s 0.042506 -0.291291 0.109793 0.188262 0.119253 -0.028574 3C 5s -2.032905 2.853046 -0.666019 -0.706992 2.030783 2.849233 3C 1pz -0.037372 0.034391 -0.001798 -0.009313 0.010364 0.000320 3C 1px -0.020670 0.019745 -0.010302 -0.002734 0.015477 0.012209 3C 1py -0.012867 -0.001033 -0.004419 -0.012179 0.007874 -0.014628 3C 2pz -0.158028 0.096957 -0.038947 0.051870 0.046815 -0.005163 3C 2px -0.074175 -0.029424 0.040172 0.129016 -0.025066 0.045942 3C 2py -0.041310 -0.010427 -0.053155 0.004090 -0.054327 -0.067768 3C 3pz -0.220673 0.019121 -0.392873 0.018251 0.297341 0.302551 3C 3px 0.148514 -0.284653 0.262566 0.832370 -0.258590 0.230631 3C 3py 0.553187 -0.874439 0.085881 0.428447 -0.699157 -0.825122 3C 1dz2 0.000926 -0.001446 0.000831 -0.001924 0.001275 -0.000571 3C 1dxz 0.000893 -0.000940 -0.001070 0.005553 -0.003141 -0.000367 3C 1dyz 0.000105 0.002553 0.000164 -0.000151 -0.001849 -0.001649 3C 1dx2y2 0.002547 0.000751 -0.000246 -0.001110 -0.001308 -0.001491 3C 1dxy -0.001104 -0.005241 -0.000552 0.003646 -0.002207 -0.002430 3C 2dz2 0.149702 -0.041041 0.006867 0.071025 -0.091338 -0.011623 3C 2dxz -0.006124 0.042558 0.009468 -0.187158 0.063014 0.036041 3C 2dyz -0.096300 -0.050641 -0.059877 -0.010895 0.047703 -0.033999 3C 2dx2y2 0.053052 -0.114836 0.018555 -0.019008 0.000534 -0.000324 3C 2dxy 0.067779 0.179409 0.006965 -0.147875 0.076395 0.005437 3C 1f0 0.003908 -0.001104 0.000071 -0.003794 0.000766 0.000406 3C 1f+1 0.003419 0.001880 -0.000406 0.000905 -0.001032 -0.000152 3C 1f-1 -0.006159 -0.003521 0.000039 0.002004 0.003387 -0.000937 3C 1f+2 -0.000434 -0.000875 0.007854 0.002664 -0.008413 0.003521 3C 1f-2 -0.000093 0.003527 0.000512 0.002570 -0.004974 0.000239 3C 1f+3 -0.000228 -0.002691 0.002640 -0.006528 0.003746 0.001229 3C 1f-3 -0.002314 -0.004710 0.001410 -0.004566 0.001017 0.001507 4C 1s -0.006942 -0.001547 0.001979 -0.004529 0.002978 -0.007785 4C 2s -0.016279 -0.005109 0.004814 -0.010277 0.008965 -0.018836 4C 3s -0.061515 0.150294 -0.009285 -0.020339 -0.046101 -0.000363 4C 4s 1.430267 -1.116118 0.028694 0.587473 -0.431957 0.821854 4C 5s -2.095308 1.241471 -2.431797 -0.336193 3.165291 0.363273 4C 1pz -0.094457 -0.000639 -0.011906 -0.008925 -0.040876 0.069728 4C 1px 0.047070 0.077685 0.085934 0.118938 -0.031128 -0.005890 4C 1py -0.008525 -0.005233 0.022603 0.042615 -0.012480 0.032966 4C 2pz 0.275232 -0.093737 -0.185116 -0.169855 0.042512 0.284333 4C 2px -0.113213 -0.147947 0.382773 0.928861 -0.153540 -0.017930 4C 2py 0.081936 -0.100795 0.019751 0.280795 -0.086472 0.158124 4C 3pz 4.129401 -2.097268 0.706560 -0.616524 -2.448971 -2.484185 4C 3px 0.506486 0.014637 0.134198 0.418276 -1.352167 0.868596 4C 3py 2.485324 -0.782662 0.689535 -0.392244 -1.998027 -0.980589 4C 1dz2 0.003358 -0.004007 0.001750 -0.005509 -0.005939 -0.001350 4C 1dxz -0.006105 -0.001234 0.003093 0.006003 -0.011988 -0.003742 4C 1dyz 0.008083 -0.005978 0.004008 0.003610 -0.008304 0.004029 4C 1dx2y2 0.007795 -0.006090 -0.005260 0.007277 -0.003599 0.004165 4C 1dxy 0.004470 -0.002280 0.005273 0.005634 -0.003209 0.011846 4C 2dz2 0.070029 0.115893 -0.078223 -0.162441 0.121052 -0.043380 4C 2dxz -0.200080 -0.070061 0.075924 0.175581 0.099259 -0.180550 4C 2dyz -0.032108 0.024558 -0.048473 -0.004446 0.107708 -0.115569 4C 2dx2y2 0.173732 -0.192349 -0.031270 0.049176 -0.056738 0.084349 4C 2dxy -0.051539 -0.168837 0.045440 0.165329 0.044524 -0.021553 4C 1f0 -0.006614 0.000371 -0.000856 -0.002002 -0.001290 -0.005161 4C 1f+1 -0.010997 0.015474 0.005749 -0.004126 -0.002038 -0.009271 4C 1f-1 0.003229 0.008147 -0.003230 -0.011348 0.002297 -0.000369 4C 1f+2 0.018241 -0.004999 -0.006142 -0.009170 0.000442 0.013110 4C 1f-2 -0.001792 -0.000851 0.003101 0.012100 0.000487 -0.007446 4C 1f+3 0.006811 0.005472 -0.006303 -0.009893 -0.007002 0.001862 4C 1f-3 -0.003789 0.019574 -0.002887 -0.020016 0.001976 -0.003920 5C 1s -0.002604 -0.003306 0.002638 0.003497 -0.005456 0.008257 5C 2s -0.006673 -0.007068 0.006974 0.008275 -0.015407 0.018804 5C 3s 0.087997 -0.068227 -0.053271 0.020539 0.128841 0.043431 5C 4s -0.509674 0.891703 0.190685 -0.550688 -0.177835 -1.043756 5C 5s 0.381676 -1.173939 1.099279 0.300998 -1.711413 -2.108487 5C 1pz 0.005797 -0.070282 -0.051719 0.017142 0.028529 -0.044283 5C 1px 0.088753 0.067076 0.079945 -0.109391 0.045121 0.020823 5C 1py 0.027584 0.002648 0.046468 0.017019 -0.045920 0.058198 5C 2pz -0.081418 0.030047 -0.151192 0.119851 -0.079526 -0.343232 5C 2px -0.011655 0.242408 0.484086 -0.630439 0.068375 0.249722 5C 2py 0.080898 -0.066882 0.022639 0.039990 -0.014601 0.405636 5C 3pz -0.591765 0.896195 0.595910 0.420232 -0.048366 1.242087 5C 3px -0.676570 1.676932 -0.353161 -0.665936 0.391588 0.978421 5C 3py 1.195119 -0.791103 -0.599872 -0.842692 -0.672843 -1.953944 5C 1dz2 -0.007151 -0.006524 -0.001575 0.007853 0.002620 0.004872 5C 1dxz -0.004261 0.003664 -0.002096 -0.008135 0.010021 0.009352 5C 1dyz 0.008326 -0.002871 0.002303 0.003653 -0.006902 0.004160 5C 1dx2y2 -0.003225 0.009520 0.007152 -0.006418 -0.000307 -0.009173 5C 1dxy 0.001259 -0.006278 0.003868 -0.000144 -0.002801 -0.005306 5C 2dz2 0.041191 0.034705 -0.113447 0.094456 -0.009719 0.018312 5C 2dxz -0.001489 -0.017406 0.081367 -0.064881 -0.038581 0.092150 5C 2dyz -0.001629 -0.124929 0.013373 -0.075051 0.143857 0.065560 5C 2dx2y2 -0.198002 0.082270 0.036202 -0.148253 0.025146 -0.024963 5C 2dxy 0.013086 0.125695 -0.167864 0.028041 0.064279 -0.139761 5C 1f0 -0.002470 -0.004809 0.005519 -0.006947 0.006114 0.010803 5C 1f+1 0.002581 -0.004719 -0.009968 0.012449 0.007410 0.001302 5C 1f-1 0.002420 -0.001800 0.006206 -0.002586 -0.000694 0.002436 5C 1f+2 0.004945 0.007069 -0.003368 0.001368 -0.005027 -0.004302 5C 1f-2 -0.002531 0.007635 -0.008957 0.002868 -0.002715 -0.016920 5C 1f+3 0.012224 -0.001272 -0.005632 0.006484 0.007641 0.007737 5C 1f-3 -0.011625 0.011646 0.006487 -0.007876 -0.002536 -0.009756 6C 1s 0.002093 0.003175 0.002799 0.004143 0.005827 0.007253 6C 2s 0.005465 0.006758 0.007469 0.010080 0.016114 0.016029 6C 3s -0.082377 0.072153 -0.060200 0.008280 -0.119338 0.068857 6C 4s 0.497787 -0.916618 0.210217 -0.556498 0.086275 -1.092937 6C 5s -0.421157 1.155846 1.219994 0.514165 1.374593 -2.489920 6C 1pz 0.007364 -0.069040 0.051708 -0.013892 0.034899 0.040124 6C 1px 0.085117 0.065056 -0.081940 0.114283 0.031938 -0.023423 6C 1py 0.027147 0.001927 -0.046927 -0.023069 -0.049784 -0.050974 6C 2pz -0.077360 0.037388 0.147023 -0.124597 -0.027202 0.357475 6C 2px -0.018214 0.233720 -0.486726 0.636132 -0.012286 -0.254361 6C 2py 0.076040 -0.073234 -0.020844 -0.045417 -0.060651 -0.406238 6C 3pz -0.629189 0.849731 -0.509380 -0.396885 -0.167241 -1.312727 6C 3px -0.622033 1.696968 0.423109 0.727947 0.198162 -1.076999 6C 3py 1.200489 -0.755385 0.463667 0.741502 -0.512945 2.136865 6C 1dz2 0.007326 0.006687 -0.001727 0.007691 -0.002750 0.005064 6C 1dxz 0.004096 -0.003656 -0.002429 -0.009071 -0.007802 0.010787 6C 1dyz -0.008234 0.003091 0.002434 0.004520 0.006951 0.003311 6C 1dx2y2 0.003272 -0.009550 0.007364 -0.006388 -0.000318 -0.009386 6C 1dxy -0.001022 0.006509 0.004037 0.000360 0.002307 -0.005787 6C 2dz2 -0.041983 -0.034916 -0.113683 0.094117 0.005161 0.019595 6C 2dxz 0.007280 0.024893 0.079098 -0.056224 0.055349 0.091980 6C 2dyz -0.001049 0.123178 0.007161 -0.089077 -0.127838 0.090080 6C 2dx2y2 0.194791 -0.085536 0.037589 -0.153418 -0.016209 -0.027867 6C 2dxy -0.020289 -0.134124 -0.167971 0.017105 -0.080639 -0.135242 6C 1f0 -0.002640 -0.005086 -0.005349 0.007358 0.004097 -0.011805 6C 1f+1 0.002635 -0.004741 0.010259 -0.011705 0.008152 -0.002465 6C 1f-1 0.002343 -0.001908 -0.006218 0.002508 -0.001060 -0.002378 6C 1f+2 0.005050 0.007270 0.002990 -0.001675 -0.004303 0.005231 6C 1f-2 -0.002010 0.008340 0.008568 -0.002847 -0.000448 0.017871 6C 1f+3 0.012022 -0.001549 0.006050 -0.005805 0.006813 -0.009363 6C 1f-3 -0.011483 0.011977 -0.006929 0.007797 -0.001779 0.010924 7C 1s 0.006565 0.001386 0.001715 -0.004839 -0.003502 -0.007353 7C 2s 0.015333 0.004734 0.004232 -0.011175 -0.010341 -0.017691 7C 3s 0.067749 -0.149864 -0.007322 -0.018468 0.050135 -0.006613 7C 4s -1.451730 1.121601 0.031959 0.651145 0.456351 0.792478 7C 5s 2.123441 -1.130718 -2.534892 -0.643698 -3.000897 0.766371 7C 1pz -0.096383 -0.001777 0.013240 0.004181 -0.051274 -0.065822 7C 1px 0.048834 0.079005 -0.088474 -0.120924 -0.016080 0.009931 7C 1py -0.009365 -0.004771 -0.021014 -0.043983 -0.012229 -0.033725 7C 2pz 0.274494 -0.103141 0.190641 0.171186 -0.012798 -0.296262 7C 2px -0.106327 -0.138978 -0.385890 -0.941447 -0.041131 0.030640 7C 2py 0.085891 -0.102338 -0.021853 -0.290821 -0.072979 -0.145630 7C 3pz 4.227470 -2.036459 -0.731852 0.399727 -2.121840 2.721593 7C 3px 0.498143 0.031204 -0.110110 -0.582132 -1.415173 -0.750321 7C 3py 2.554538 -0.765548 -0.769148 0.194464 -1.869732 1.218330 7C 1dz2 -0.003173 0.003831 0.001805 -0.004893 0.006371 -0.002126 7C 1dxz 0.006288 0.000905 0.003213 0.007227 0.010907 -0.005311 7C 1dyz -0.008182 0.005714 0.003823 0.004419 0.008388 0.003507 7C 1dx2y2 -0.007815 0.006276 -0.004900 0.007787 0.003302 0.003271 7C 1dxy -0.004595 0.002295 0.005394 0.006210 0.003943 0.011599 7C 2dz2 -0.069380 -0.112267 -0.076421 -0.175192 -0.108322 -0.030203 7C 2dxz 0.199692 0.068810 0.074386 0.163554 -0.142382 -0.169777 7C 2dyz 0.030667 -0.020607 -0.041533 -0.014457 -0.121886 -0.113787 7C 2dx2y2 -0.176450 0.191976 -0.040597 0.057708 0.062885 0.091355 7C 2dxy 0.048136 0.168350 0.042469 0.159942 -0.069219 -0.013939 7C 1f0 -0.006772 0.000422 0.000771 0.001933 -0.000930 0.005436 7C 1f+1 -0.011226 0.015615 -0.006211 0.004204 -0.001256 0.009873 7C 1f-1 0.003139 0.007959 0.003206 0.011667 0.001008 0.000150 7C 1f+2 0.018291 -0.005262 0.006282 0.008849 -0.002306 -0.013563 7C 1f-2 -0.001710 -0.000716 -0.003007 -0.011841 0.002942 0.007139 7C 1f+3 0.006788 0.005361 0.005919 0.009066 -0.008354 -0.000578 7C 1f-3 -0.004163 0.019576 0.002876 0.020385 0.000031 0.003719 8C 1s -0.001344 -0.001303 0.002272 0.004122 0.004074 0.002652 8C 2s -0.003941 -0.001553 0.007290 0.011955 0.010958 0.006596 8C 3s 0.020547 -0.037008 -0.020435 -0.040539 0.007661 -0.017043 8C 4s -0.056740 0.292391 0.093105 0.180336 -0.139561 -0.004036 8C 5s 2.056723 -2.832920 -0.868151 -1.016886 -1.574645 3.309755 8C 1pz -0.038484 0.034666 0.002546 0.010791 0.009003 -0.001402 8C 1px -0.021322 0.019911 0.010019 0.004147 0.013071 -0.014065 8C 1py -0.012018 -0.001234 0.004956 0.012728 0.008446 0.012537 8C 2pz -0.159476 0.097752 0.043845 -0.047899 0.050525 0.001288 8C 2px -0.079963 -0.031698 -0.039749 -0.130260 -0.015903 -0.045201 8C 2py -0.037355 -0.009492 0.045537 -0.009331 -0.042139 0.080767 8C 3pz -0.183905 0.039202 0.405467 0.016778 0.261666 -0.345593 8C 3px 0.131545 -0.299691 -0.251576 -0.840535 -0.188167 -0.221597 8C 3py 0.547580 -0.865783 -0.159793 -0.522958 -0.539140 0.982157 8C 1dz2 -0.000866 0.001483 0.000778 -0.001953 -0.001078 -0.000330 8C 1dxz -0.000934 0.000934 -0.001112 0.005791 0.002443 -0.000662 8C 1dyz -0.000011 -0.002494 0.000292 0.000059 0.001659 -0.001982 8C 1dx2y2 -0.002565 -0.000863 -0.000016 -0.001007 0.001190 -0.001900 8C 1dxy 0.001083 0.005179 -0.000406 0.003853 0.001454 -0.002824 8C 2dz2 -0.151081 0.036936 0.008782 0.076253 0.079239 -0.022729 8C 2dxz 0.004817 -0.042707 0.005307 -0.190018 -0.036018 0.047966 8C 2dyz 0.092018 0.046791 -0.058567 -0.015614 -0.050726 -0.032875 8C 2dx2y2 -0.053542 0.118089 0.017371 -0.017185 0.002559 0.004357 8C 2dxy -0.068557 -0.179899 0.007265 -0.156829 -0.059238 0.015597 8C 1f0 0.004123 -0.001053 -0.000131 0.003909 0.000360 -0.000546 8C 1f+1 0.003362 0.001999 0.000237 -0.000917 -0.000958 0.000277 8C 1f-1 -0.006089 -0.003432 0.000048 -0.001676 0.003722 0.000624 8C 1f+2 -0.001111 -0.001274 -0.008148 -0.003772 -0.008392 -0.002160 8C 1f-2 -0.000229 0.003460 -0.000784 -0.003193 -0.004820 0.000574 8C 1f+3 -0.000210 -0.002735 -0.002435 0.006686 0.002737 -0.001966 8C 1f-3 -0.002272 -0.004883 -0.001376 0.004443 0.000248 -0.001685 9C 1s -0.004954 -0.003758 -0.004139 -0.003390 -0.006072 -0.003876 9C 2s -0.010974 -0.011111 -0.011851 -0.009788 -0.017070 -0.011850 9C 3s 0.006074 0.064483 0.035563 0.046505 0.023014 0.037346 9C 4s 0.045151 -0.272301 -0.250749 -0.249051 -0.054174 -0.113962 9C 5s -5.436875 3.654412 3.540811 1.237296 5.776237 -1.671596 9C 1pz 0.057075 -0.017260 0.024044 0.002310 -0.014662 0.005325 9C 1px -0.014138 -0.045411 -0.003012 0.001286 0.000886 0.009694 9C 1py 0.012755 0.010318 -0.003695 0.003318 -0.001993 -0.008617 9C 2pz 0.315278 0.031290 0.099359 0.102442 -0.047669 -0.038350 9C 2px -0.051595 -0.144314 -0.006448 -0.033940 0.043743 0.135557 9C 2py 0.093432 0.036715 0.077171 -0.026742 -0.077701 0.098616 9C 3pz 1.177585 -0.574154 -1.083928 -0.022948 -1.205579 0.083034 9C 3px 0.808609 0.192099 -0.032507 0.133208 0.061866 0.879475 9C 3py 0.926777 -0.873193 -0.206128 -0.383328 -1.182526 0.747150 9C 1dz2 0.000562 0.002666 0.000101 -0.000516 0.001357 -0.002552 9C 1dxz -0.003244 -0.004894 0.002212 -0.000916 0.000594 0.000371 9C 1dyz -0.003091 0.000468 0.002796 -0.000465 0.001863 -0.000204 9C 1dx2y2 0.001205 -0.001776 0.002424 0.000329 -0.001973 0.003522 9C 1dxy -0.001788 -0.001715 -0.001585 0.001952 0.004503 -0.002695 9C 2dz2 -0.046283 -0.092814 0.045441 0.040150 -0.012862 0.015530 9C 2dxz 0.031742 0.086805 -0.109307 -0.019032 -0.021937 -0.041188 9C 2dyz -0.112664 0.047782 -0.064766 -0.003419 0.007502 -0.116215 9C 2dx2y2 0.055939 0.031800 -0.033107 0.039279 -0.014186 -0.125584 9C 2dxy 0.014033 0.001548 0.045167 -0.118768 -0.170727 0.092946 9C 1f0 0.000406 0.001999 0.001066 -0.003493 -0.008067 0.001673 9C 1f+1 0.002544 -0.003642 -0.001365 -0.000816 0.002436 0.000056 9C 1f-1 0.005239 0.002683 0.000061 0.001686 -0.005134 -0.006856 9C 1f+2 -0.000036 0.000821 0.005061 0.002097 0.008982 0.004173 9C 1f-2 -0.004024 -0.003730 -0.003332 -0.002757 -0.003282 -0.000824 9C 1f+3 0.002932 -0.000024 0.004796 -0.002296 0.005412 0.006918 9C 1f-3 0.002680 0.000363 -0.000997 -0.001100 -0.000731 0.000921 10H 1s 0.019448 0.005089 -0.004127 0.001105 0.011279 0.002465 10H 2s 0.238935 0.191865 -0.283650 -0.176020 0.376177 0.012682 10H 3s -0.768319 0.063976 -0.030813 -0.161594 0.313909 0.388033 10H 1pz 0.002052 0.003709 -0.013727 -0.019124 0.019284 0.003236 10H 1px -0.004006 0.003518 -0.000286 0.000956 -0.008754 -0.010660 10H 1py -0.004012 -0.003334 -0.014881 -0.003530 0.003650 -0.012540 11H 1s 0.018696 0.007758 -0.016737 -0.014665 0.019672 -0.007305 11H 2s 0.260750 0.150178 -0.244334 -0.232654 0.476849 -0.214598 11H 3s -0.072680 0.733865 -0.042906 -0.305239 0.667854 -0.092055 11H 1pz -0.000162 -0.000163 0.001866 -0.000223 0.016022 0.001389 11H 1px 0.006166 0.006526 -0.000713 0.001285 0.003732 -0.005829 11H 1py -0.010245 -0.001526 -0.008655 0.010991 -0.018582 -0.005379 12H 1s 0.015796 0.005233 -0.025654 -0.011783 0.006515 -0.012748 12H 2s 0.118670 0.141324 -0.412066 -0.008868 0.150922 -0.452041 12H 3s -0.095019 0.092497 -0.521788 0.061440 0.090069 -0.511769 12H 1pz -0.008378 0.009907 0.014009 0.001901 0.018988 0.011522 12H 1px 0.004118 -0.000290 -0.006346 0.007777 -0.000722 -0.017926 12H 1py -0.004518 0.001385 -0.010331 0.018903 -0.006364 -0.022881 13H 1s 0.008135 0.003475 0.009086 -0.006945 0.002026 0.004945 13H 2s -0.025828 0.012474 0.112445 -0.048282 -0.083318 0.049298 13H 3s -0.038590 -0.100222 -0.226509 -0.269186 0.122784 -0.125633 13H 1pz -0.015108 -0.005636 -0.003891 0.007127 -0.004552 -0.003216 13H 1px 0.002388 -0.010730 -0.001868 0.026425 -0.009223 -0.005337 13H 1py 0.004943 0.004201 0.002592 -0.004591 0.005452 0.003366 14H 1s -0.001398 -0.001924 -0.003744 0.022667 -0.013731 0.002919 14H 2s -0.043598 0.008666 0.086000 0.503332 -0.341805 0.054769 14H 3s 0.436003 -0.744970 0.153692 0.661856 -0.417289 -0.203141 14H 1pz -0.007080 0.008127 0.000224 0.005731 -0.008248 -0.001066 14H 1px -0.000932 -0.000709 0.007959 0.030116 -0.021226 -0.000856 14H 1py -0.000918 -0.008855 -0.011181 0.021902 -0.010378 -0.002291 15H 1s -0.000991 0.005278 0.005460 0.009389 -0.006048 0.008767 15H 2s 0.223762 0.007924 0.250110 0.108045 -0.205902 0.176305 15H 3s 0.049739 -0.043362 0.290969 -0.016369 0.069992 -0.050400 15H 1pz -0.000160 -0.010348 -0.006302 0.007840 -0.003447 -0.007712 15H 1px 0.007960 0.005256 0.001201 0.011026 -0.015220 -0.001775 15H 1py -0.018160 0.001674 -0.013787 0.011789 0.007670 -0.002987 16H 1s 0.004279 -0.005493 -0.007358 0.001455 0.008847 -0.014469 16H 2s 0.040437 0.175073 0.208764 -0.070169 -0.007238 -0.215285 16H 3s -0.276926 0.773996 0.702893 -0.201782 -0.325274 -0.308686 16H 1pz 0.012374 0.015940 0.030189 -0.005499 -0.002526 -0.012451 16H 1px -0.010533 0.009624 -0.005759 -0.008319 0.004987 -0.003796 16H 1py -0.006509 0.006767 0.000052 -0.000314 -0.006508 -0.006721 17H 1s -0.002286 -0.015220 -0.005484 0.010744 0.007996 0.002532 17H 2s -0.212102 -0.020994 -0.205403 0.034864 -0.113739 0.125800 17H 3s -0.568448 0.265277 -0.387846 -0.061690 -0.486132 0.252634 17H 1pz 0.017290 0.001150 0.018448 0.001157 -0.000385 -0.011437 17H 1px 0.009295 -0.001007 0.014200 0.002228 0.010245 -0.001947 17H 1py -0.010035 0.002197 -0.002653 0.003343 -0.014004 0.002523 18H 1s 0.004284 0.015878 -0.004144 0.009399 -0.008641 0.001712 18H 2s 0.197613 0.016411 -0.216729 0.047400 0.126068 0.116270 18H 3s 0.495785 -0.274386 -0.411521 -0.000898 0.506722 0.212455 18H 1pz 0.016715 0.001067 -0.018389 -0.001225 0.001259 0.010406 18H 1px 0.007602 -0.002119 -0.016287 -0.000885 0.010975 0.002625 18H 1py -0.008555 0.002490 0.003343 -0.005099 -0.013739 -0.001698 19H 1s -0.003073 0.005712 -0.006969 0.000381 -0.010974 -0.014422 19H 2s -0.051461 -0.174825 0.204009 -0.066674 -0.013185 -0.207757 19H 3s 0.244670 -0.784522 0.690808 -0.168367 0.302237 -0.314496 19H 1pz 0.013437 0.015946 -0.030125 0.005307 -0.001318 0.011922 19H 1px -0.011428 0.009766 0.005366 0.009305 0.004651 0.004183 19H 1py -0.005096 0.006757 0.000468 -0.001016 -0.005842 0.006344 20H 1s 0.001947 -0.004968 0.005392 0.010356 0.006417 0.007773 20H 2s -0.204009 0.003572 0.251757 0.136298 0.218035 0.152978 20H 3s -0.049269 0.058357 0.273114 -0.017619 -0.071622 -0.025840 20H 1pz 0.000471 -0.009803 0.005869 -0.008352 -0.001540 0.008966 20H 1px 0.007805 0.005346 -0.001683 -0.012050 -0.013535 0.003542 20H 1py -0.017440 0.002112 0.014145 -0.010843 0.009149 0.002416 21H 1s 0.001757 0.001796 -0.003495 0.024275 0.011767 0.000857 21H 2s 0.060961 -0.004186 0.095628 0.541076 0.291277 -0.000352 21H 3s -0.455603 0.741719 0.173404 0.705616 0.307369 -0.274681 21H 1pz -0.007482 0.007903 -0.000914 -0.006883 -0.007476 0.003163 21H 1px -0.001895 -0.001051 -0.008595 -0.031791 -0.017122 0.004033 21H 1py -0.000361 -0.008378 0.010944 -0.022685 -0.007743 0.003601 22H 1s -0.007358 -0.003520 0.009438 -0.006839 -0.000568 0.004200 22H 2s 0.034322 -0.008882 0.114160 -0.027074 0.098919 0.025583 22H 3s 0.003836 0.082425 -0.219053 -0.267307 -0.106307 -0.125654 22H 1pz -0.015015 -0.005862 0.003683 -0.008276 -0.003499 0.004506 22H 1px 0.002473 -0.010750 0.001685 -0.026721 -0.005347 0.006219 22H 1py 0.005070 0.004496 -0.002717 0.005370 0.004907 -0.003708 23H 1s -0.014950 -0.004835 -0.025775 -0.012497 -0.006260 -0.012075 23H 2s -0.108349 -0.136765 -0.407485 -0.031301 -0.201513 -0.451076 23H 3s 0.082099 -0.096898 -0.530835 0.040635 -0.148155 -0.515213 23H 1pz -0.008508 0.009663 -0.013819 0.000161 0.017927 -0.014576 23H 1px 0.004244 -0.000030 0.005679 -0.007155 0.002817 0.017606 23H 1py -0.004686 0.001527 0.009865 -0.019242 -0.001309 0.025327 24H 1s -0.018023 -0.007489 -0.016662 -0.016850 -0.018663 -0.004695 24H 2s -0.250792 -0.139214 -0.234002 -0.283061 -0.476468 -0.157822 24H 3s 0.074364 -0.711435 -0.031354 -0.385578 -0.649836 -0.004587 24H 1pz -0.000253 -0.000631 -0.002208 0.001523 0.015886 -0.003349 24H 1px 0.006228 0.006279 -0.000852 -0.000521 0.005620 0.005793 24H 1py -0.010103 -0.001273 0.008724 -0.013064 -0.016934 0.008638 25H 1s -0.018859 -0.005090 -0.004219 0.000069 -0.010468 0.004063 25H 2s -0.228158 -0.180366 -0.292970 -0.210579 -0.340804 0.058468 25H 3s 0.782676 -0.058583 -0.068133 -0.177832 -0.226710 0.438455 25H 1pz 0.001806 0.002681 0.013881 0.020899 0.016641 -0.005277 25H 1px -0.003670 0.003851 -0.000746 -0.001182 -0.006641 0.011667 25H 1py -0.004030 -0.003425 0.015467 0.004108 0.004458 0.012438 26O 1s -0.001667 0.006990 -0.000518 -0.003152 0.002989 -0.007954 26O 2s -0.003461 0.015523 -0.000635 -0.008545 0.007140 -0.019101 26O 3s -0.005351 -0.007136 -0.007132 0.039621 -0.008260 0.026955 26O 4s 0.145212 -0.236263 0.078575 -0.039609 -0.090627 0.143161 26O 5s -0.991749 1.436240 -0.428109 -0.767189 0.673714 -0.225890 26O 1pz 0.064066 0.015210 0.011452 0.026387 0.060882 0.010769 26O 1px -0.014650 0.057102 0.047131 -0.005077 0.031840 -0.000622 26O 1py -0.001949 0.011305 -0.029212 0.043474 -0.079790 -0.037390 26O 2pz 0.138987 -0.046077 0.042049 0.019262 0.171953 -0.047950 26O 2px -0.040433 -0.039638 0.114918 0.091092 0.074108 0.056215 26O 2py -0.010809 -0.072798 -0.078336 0.134960 -0.164371 -0.144592 26O 3pz -0.382322 0.451127 -0.107793 0.442511 -0.758514 0.916696 26O 3px 0.670085 -0.677787 0.090630 1.172770 -0.713742 0.057815 26O 3py 0.286871 -0.056253 0.262270 0.456133 0.031701 0.921345 26O 1dz2 -0.003513 0.000556 -0.003035 -0.007826 0.003861 -0.003494 26O 1dxz -0.001700 0.000537 0.000679 0.000991 -0.004306 0.005924 26O 1dyz -0.002119 -0.000243 0.000836 -0.000574 -0.000294 -0.000396 26O 1dx2y2 0.002963 -0.002294 0.001991 0.009907 -0.003942 0.001088 26O 1dxy 0.004615 -0.003335 0.003461 0.008328 -0.002188 0.004466 26O 2dz2 0.002527 -0.033083 0.021162 0.009355 0.023243 0.010669 26O 2dxz 0.011925 0.025342 -0.001836 -0.008505 0.002889 0.014698 26O 2dyz -0.023758 -0.017889 -0.017554 0.006580 0.016796 -0.022210 26O 2dx2y2 -0.015328 0.022235 0.008914 -0.040622 0.011887 0.016191 26O 2dxy -0.009930 0.029371 -0.004845 -0.033165 0.013365 0.007352 26O 1f0 0.000979 0.001493 0.000224 -0.000954 0.001487 -0.001277 26O 1f+1 0.000270 0.002697 -0.000148 -0.001331 -0.001558 0.000791 26O 1f-1 -0.000513 0.000541 0.000140 -0.000361 -0.000058 0.000894 26O 1f+2 -0.001730 -0.000885 0.000223 -0.000230 -0.000405 0.000330 26O 1f-2 -0.000305 -0.000835 0.000357 0.000813 -0.001600 0.003011 26O 1f+3 -0.000167 -0.000032 0.000024 -0.001161 -0.000064 0.001271 26O 1f-3 0.000192 0.003318 -0.000167 -0.002659 -0.000549 -0.000529 27O 1s 0.005979 0.003675 0.006024 0.002501 -0.000960 0.001322 27O 2s 0.014290 0.007704 0.013715 0.006181 -0.001446 0.003372 27O 3s -0.021874 0.009194 -0.000009 -0.019301 -0.014434 -0.005456 27O 4s -0.104113 -0.089807 -0.147932 -0.031445 0.096040 -0.047626 27O 5s 0.818719 -0.717377 -0.533268 0.802667 -0.120655 -0.026922 27O 1pz 0.021075 0.007948 0.028574 0.040701 -0.097780 -0.041044 27O 1px 0.034468 -0.013775 -0.032524 -0.002200 -0.007813 0.046610 27O 1py 0.015253 -0.006676 -0.052020 0.054326 -0.055389 0.005356 27O 2pz 0.030307 -0.019291 0.068118 0.166387 -0.239897 -0.065574 27O 2px -0.024799 -0.022478 0.012360 -0.068114 -0.051914 0.069654 27O 2py 0.071336 0.048388 -0.155109 0.125765 -0.133061 -0.017568 27O 3pz 0.082080 0.068462 -0.349732 -0.569853 0.785159 -0.021789 27O 3px -0.403722 0.775956 0.711074 -0.934511 0.144828 -0.133269 27O 3py -0.194442 -0.682817 0.528278 0.250775 0.300978 0.237757 27O 1dz2 -0.000870 -0.002617 -0.004567 0.005164 -0.002557 0.002140 27O 1dxz 0.001025 -0.003169 -0.003273 0.001163 0.003961 0.000426 27O 1dyz 0.000488 0.002424 -0.000822 -0.001559 0.000848 -0.000509 27O 1dx2y2 0.000717 0.006309 0.005775 -0.008906 0.003287 -0.001289 27O 1dxy 0.000242 -0.004748 0.001220 0.004099 -0.000934 0.002954 27O 2dz2 -0.022030 0.012632 0.017700 0.022715 -0.022210 -0.004060 27O 2dxz 0.011570 -0.000290 0.007583 0.008166 -0.006987 -0.006490 27O 2dyz 0.014307 0.029240 0.004758 -0.024829 0.017971 -0.000349 27O 2dx2y2 0.022735 -0.005361 -0.031358 0.043787 0.007436 -0.011009 27O 2dxy -0.009949 0.012053 0.003514 -0.011313 -0.004570 0.015715 27O 1f0 -0.000009 0.001220 0.001692 0.000202 -0.001115 0.000371 27O 1f+1 0.002547 -0.000685 -0.000727 0.000848 0.001332 -0.000196 27O 1f-1 -0.001607 0.000570 -0.000358 -0.001085 0.000254 -0.000109 27O 1f+2 -0.000102 -0.001622 -0.000453 0.000480 0.001648 0.000188 27O 1f-2 -0.001239 -0.000449 0.000203 0.000657 -0.000762 0.001091 27O 1f+3 0.000666 -0.000153 -0.002674 0.000774 0.002559 -0.001357 27O 1f-3 -0.002049 0.000651 -0.000845 -0.001547 -0.000586 -0.000426 28O 1s -0.004358 0.001197 -0.005085 -0.001900 0.002930 -0.005119 28O 2s -0.010229 0.003489 -0.012209 -0.003722 0.006616 -0.012972 28O 3s 0.013540 -0.016753 0.013337 -0.017724 -0.002035 0.037335 28O 4s 0.167507 0.000344 0.038908 0.122464 -0.067226 -0.047860 28O 5s -1.924520 0.471849 0.791847 0.588933 -0.013150 0.485617 28O 1pz -0.009365 -0.029943 -0.020139 -0.023239 0.002465 -0.021346 28O 1px 0.111378 0.010764 -0.042486 0.021941 -0.010934 0.024304 28O 1py 0.022479 0.020903 0.015808 -0.026861 -0.005365 0.051403 28O 2pz 0.130105 -0.013282 -0.118235 -0.084190 -0.032940 -0.022113 28O 2px 0.139770 0.026037 -0.040176 0.098416 -0.055628 -0.044703 28O 2py 0.091320 0.124662 0.044425 -0.091257 -0.009250 0.137952 28O 3pz 0.072483 -0.560233 0.108337 -0.469053 0.112777 0.583741 28O 3px -1.507693 0.246414 0.529824 0.563847 0.307127 -0.029514 28O 3py -0.364792 -0.661649 -0.080260 0.163570 0.171997 -0.139992 28O 1dz2 -0.003831 -0.000988 0.000738 0.001123 -0.000634 0.000513 28O 1dxz -0.005048 0.002758 0.004952 0.005545 0.002188 -0.007705 28O 1dyz -0.000395 -0.001167 -0.001577 0.000247 -0.000705 -0.000148 28O 1dx2y2 0.007085 -0.000713 -0.003763 -0.004990 0.000053 0.003713 28O 1dxy 0.000376 0.003641 0.000628 -0.000055 -0.000523 -0.001655 28O 2dz2 -0.005045 -0.001354 -0.010234 0.019788 -0.019622 -0.009611 28O 2dxz 0.058794 -0.011549 -0.021003 -0.028532 -0.013583 -0.004751 28O 2dyz -0.010427 0.026465 0.020370 0.002627 0.015121 0.012540 28O 2dx2y2 -0.031784 -0.010403 -0.006562 0.029900 -0.016720 -0.025201 28O 2dxy 0.002926 0.010711 0.011668 -0.004194 0.005874 -0.002419 28O 1f0 -0.001775 0.000948 0.000915 0.001453 -0.001091 0.001005 28O 1f+1 -0.000831 0.000608 -0.000985 0.000526 0.000813 -0.000256 28O 1f-1 -0.000277 -0.000417 0.000144 0.000688 0.001266 0.000130 28O 1f+2 0.002522 -0.000783 -0.000841 -0.002099 0.001390 -0.000838 28O 1f-2 -0.001245 0.001129 -0.000492 0.000240 0.000548 -0.001052 28O 1f+3 0.001381 -0.000388 -0.000402 -0.001705 0.002116 -0.000122 28O 1f-3 -0.000306 -0.000173 -0.000512 0.000067 -0.000868 0.000289 29O 1s 0.001693 -0.010824 -0.000864 0.003288 0.004431 -0.002843 29O 2s 0.003714 -0.023469 -0.002096 0.007009 0.009676 -0.005793 29O 3s 0.001137 -0.012702 0.002965 0.005107 0.004056 -0.009506 29O 4s -0.085979 0.469336 0.025499 -0.142275 -0.205136 0.131139 29O 5s 0.335846 -1.111988 -0.123201 0.317632 0.589783 -0.178741 29O 1pz -0.034230 -0.063284 -0.139187 0.006791 0.008306 0.052521 29O 1px -0.070149 0.003888 -0.025884 -0.015318 -0.047618 0.028717 29O 1py 0.032683 -0.036168 0.000485 -0.028628 0.042178 0.025592 29O 2pz -0.041417 -0.154074 -0.292629 0.032309 0.016342 0.131807 29O 2px -0.170077 0.049257 -0.045818 -0.030693 -0.126468 0.055262 29O 2py 0.083637 -0.056817 -0.010820 -0.030247 0.077867 0.040305 29O 3pz 0.175827 0.638772 1.154806 -0.227583 0.043034 -0.701660 29O 3px 0.702936 -0.167866 0.223829 0.068121 0.481610 -0.194943 29O 3py -0.402845 0.306874 0.040906 -0.066342 -0.269452 -0.069660 29O 1dz2 0.001120 0.002608 0.004403 -0.000553 -0.000578 -0.003022 29O 1dxz -0.003255 -0.001059 -0.003381 0.000082 -0.000912 0.001458 29O 1dyz 0.002959 0.003773 0.007321 -0.001177 0.000635 -0.005492 29O 1dx2y2 0.000999 -0.000734 -0.001482 0.000082 0.000496 0.001155 29O 1dxy 0.003520 0.000105 0.002743 -0.001739 0.003012 -0.001150 29O 2dz2 -0.011293 0.005639 -0.018442 0.003800 -0.008621 0.009092 29O 2dxz 0.007857 0.010857 0.018434 -0.002792 -0.001898 -0.009086 29O 2dyz -0.003656 -0.003050 -0.012699 0.009916 -0.000352 0.011816 29O 2dx2y2 -0.005109 -0.011158 0.003139 0.001729 0.008240 -0.004598 29O 2dxy -0.007415 -0.013877 0.003569 -0.004426 -0.013575 0.007938 29O 1f0 -0.000255 0.000968 -0.000031 -0.000316 -0.000647 0.000243 29O 1f+1 0.000482 -0.000775 0.000397 0.000107 0.000381 -0.000061 29O 1f-1 0.000069 0.000487 0.001069 -0.000691 -0.000657 0.000079 29O 1f+2 -0.000811 -0.000686 -0.000915 0.000083 0.000395 0.000064 29O 1f-2 -0.000469 -0.000008 -0.000258 -0.000362 -0.000793 -0.000081 29O 1f+3 -0.000095 -0.000563 0.000108 0.000569 0.000301 -0.000290 29O 1f-3 0.000523 -0.001244 0.000217 0.000428 -0.000122 0.000236 30O 1s -0.000095 -0.006179 0.000985 0.004791 -0.002109 0.003656 30O 2s -0.000092 -0.013289 0.002552 0.011263 -0.005032 0.010323 30O 3s -0.005444 -0.005482 -0.014273 -0.008554 0.004579 -0.047815 30O 4s 0.015840 0.241165 0.067998 -0.074417 0.019992 0.075235 30O 5s 0.302587 -0.662422 -0.220807 -0.610977 0.428017 0.263456 30O 1pz 0.007405 0.039662 -0.020412 -0.033634 -0.014831 0.001440 30O 1px 0.017222 0.049057 0.039021 -0.020355 -0.013871 -0.060805 30O 1py 0.019847 0.043052 0.019642 -0.063428 -0.012918 0.046466 30O 2pz 0.015814 0.202067 -0.050383 -0.117269 -0.040598 -0.017857 30O 2px 0.052160 0.088057 0.087841 -0.052503 -0.007290 -0.023775 30O 2py 0.024081 0.006366 0.066239 -0.184145 0.005456 0.114522 30O 3pz -0.298832 -0.711256 -0.152931 0.554016 0.173550 -0.704648 30O 3px 0.042566 -0.676786 0.052223 -0.331709 0.227713 0.585299 30O 3py 0.289593 0.252137 0.139234 0.310655 0.130550 0.669973 30O 1dz2 -0.000727 -0.003135 0.001900 -0.001639 0.000703 0.000740 30O 1dxz 0.001088 0.002496 0.003599 -0.002217 -0.002027 0.007644 30O 1dyz 0.001199 -0.001058 0.001350 -0.000595 -0.001268 0.004224 30O 1dx2y2 0.000081 0.000967 -0.001134 0.002235 -0.002783 -0.004309 30O 1dxy -0.003283 -0.000028 -0.004622 0.001534 -0.000376 -0.007282 30O 2dz2 -0.000030 0.004560 0.002743 -0.020921 0.019139 -0.006409 30O 2dxz -0.010118 0.032948 -0.011570 -0.011671 0.004229 -0.014805 30O 2dyz -0.008207 -0.018282 0.001401 0.033985 -0.004382 -0.012833 30O 2dx2y2 -0.006891 0.006710 -0.000699 -0.023531 0.018430 0.026758 30O 2dxy -0.012059 -0.024633 0.007557 -0.014485 0.026798 0.019196 30O 1f0 0.001225 -0.000530 -0.000153 0.000070 0.001955 0.001408 30O 1f+1 0.000243 -0.000355 -0.000445 0.000311 -0.000277 -0.000086 30O 1f-1 -0.001185 0.001119 0.000130 0.000630 -0.000090 0.000725 30O 1f+2 -0.000056 0.000585 0.000474 0.000769 -0.000183 0.000148 30O 1f-2 -0.000623 0.000954 0.000465 0.000813 -0.000473 -0.002092 30O 1f+3 -0.000221 -0.001369 0.000437 0.001072 -0.001291 -0.000024 30O 1f-3 0.000982 0.001095 0.000097 0.001654 -0.002539 -0.000311 31O 1s 0.000216 0.006481 0.000901 0.005067 0.002080 0.003632 31O 2s 0.000364 0.013997 0.002368 0.011927 0.005167 0.010220 31O 3s 0.005023 0.004291 -0.014163 -0.009457 -0.009363 -0.047415 31O 4s -0.017073 -0.244321 0.071759 -0.076791 -0.005089 0.068661 31O 5s -0.294937 0.675472 -0.242639 -0.640373 -0.326132 0.370387 31O 1pz 0.006170 0.039470 0.022579 0.031431 -0.020405 -0.004343 31O 1px 0.016415 0.048772 -0.038539 0.019867 -0.008613 0.061749 31O 1py 0.019104 0.042943 -0.020760 0.061739 -0.025469 -0.043937 31O 2pz 0.014923 0.203256 0.052727 0.112805 -0.055653 0.017486 31O 2px 0.048982 0.083828 -0.082695 0.052631 -0.010201 0.017065 31O 2py 0.019557 0.003291 -0.066739 0.182335 -0.029127 -0.116934 31O 3pz -0.288680 -0.695101 0.147269 -0.528739 0.325792 0.702340 31O 3px 0.035390 -0.680297 -0.065624 0.335703 0.126449 -0.603630 31O 3py 0.294240 0.240213 -0.134000 -0.303178 0.088157 -0.689057 31O 1dz2 0.000661 0.003117 0.001871 -0.001653 -0.000547 0.000765 31O 1dxz -0.000964 -0.002314 0.003627 -0.001927 0.003108 0.007398 31O 1dyz -0.001087 0.001157 0.001247 -0.000371 0.001818 0.004209 31O 1dx2y2 -0.000093 -0.000979 -0.001309 0.002480 0.002030 -0.004460 31O 1dxy 0.003190 -0.000180 -0.004601 0.001439 -0.000560 -0.007328 31O 2dz2 -0.000066 -0.004462 0.002351 -0.022659 -0.016946 -0.003856 31O 2dxz 0.009772 -0.033526 -0.011232 -0.012207 -0.004302 -0.015274 31O 2dyz 0.007575 0.017341 0.001317 0.033779 -0.001101 -0.013864 31O 2dx2y2 0.007080 -0.006338 -0.000121 -0.025024 -0.012161 0.028049 31O 2dxy 0.012781 0.025539 0.006425 -0.016605 -0.022377 0.023976 31O 1f0 0.001213 -0.000552 0.000240 0.000152 0.001748 -0.001772 31O 1f+1 0.000265 -0.000363 0.000456 -0.000323 -0.000255 0.000063 31O 1f-1 -0.001187 0.001101 -0.000129 -0.000641 -0.000116 -0.000717 31O 1f+2 -0.000028 0.000590 -0.000466 -0.000798 -0.000113 -0.000108 31O 1f-2 -0.000578 0.001021 -0.000532 -0.000824 -0.000103 0.002276 31O 1f+3 -0.000222 -0.001391 -0.000395 -0.001248 -0.001143 0.000129 31O 1f-3 0.000991 0.001120 -0.000253 -0.001900 -0.002294 0.000780 32O 1s -0.001080 0.010893 -0.000741 0.002694 -0.005187 -0.002600 32O 2s -0.002373 0.023613 -0.001820 0.005715 -0.011235 -0.005274 32O 3s -0.000728 0.012920 0.002842 0.004588 -0.006159 -0.009019 32O 4s 0.057807 -0.474077 0.018594 -0.115403 0.239590 0.119806 32O 5s -0.251859 1.128491 -0.091302 0.243651 -0.646304 -0.151526 32O 1pz -0.034831 -0.063211 0.139820 -0.006696 0.000775 -0.050754 32O 1px -0.061375 0.007687 0.027959 0.009803 -0.051520 -0.025381 32O 1py 0.024202 -0.039190 -0.000421 0.033246 0.034509 -0.028179 32O 2pz -0.042920 -0.154952 0.293690 -0.032455 -0.000385 -0.128001 32O 2px -0.149552 0.057598 0.049500 0.016922 -0.131980 -0.044310 32O 2py 0.066492 -0.063037 0.009703 0.039001 0.066268 -0.043625 32O 3pz 0.184738 0.634381 -1.162993 0.234390 0.119497 0.676577 32O 3px 0.630289 -0.195792 -0.241170 -0.016602 0.495695 0.151492 32O 3py -0.334347 0.331582 -0.035134 0.036984 -0.254606 0.083349 32O 1dz2 -0.001097 -0.002468 0.004037 -0.000408 0.000288 -0.002751 32O 1dxz 0.003155 0.001072 -0.003627 0.000217 0.001150 0.001457 32O 1dyz -0.002964 -0.003851 0.007492 -0.001281 -0.001220 -0.005370 32O 1dx2y2 -0.000756 0.000806 -0.001576 0.000057 -0.000263 0.001224 32O 1dxy -0.003050 0.000065 0.002767 -0.002050 -0.002880 -0.000820 32O 2dz2 0.011193 -0.005870 -0.018614 0.004666 0.009110 0.007858 32O 2dxz -0.007874 -0.010717 0.019402 -0.002644 0.000567 -0.009483 32O 2dyz 0.004429 0.002991 -0.012556 0.009886 0.000727 0.010645 32O 2dx2y2 0.005423 0.012147 0.003292 0.001282 -0.008647 -0.003535 32O 2dxy 0.005044 0.013333 0.001418 -0.002176 0.014926 0.009077 32O 1f0 -0.000163 0.000915 0.000189 0.000165 -0.000683 -0.000278 32O 1f+1 0.000478 -0.000806 -0.000471 -0.000058 0.000448 0.000070 32O 1f-1 0.000184 0.000524 -0.000932 0.000609 -0.000770 -0.000137 32O 1f+2 -0.000827 -0.000698 0.000922 -0.000048 0.000445 -0.000053 32O 1f-2 -0.000376 0.000015 0.000431 0.000250 -0.000798 0.000040 32O 1f+3 -0.000155 -0.000583 -0.000134 -0.000529 0.000373 0.000293 32O 1f-3 0.000499 -0.001278 -0.000268 -0.000468 -0.000129 -0.000236 33O 1s 0.004381 -0.000962 -0.004956 -0.002289 -0.003420 -0.004956 33O 2s 0.010287 -0.002975 -0.011911 -0.004611 -0.007972 -0.012589 33O 3s -0.013618 0.016914 0.013009 -0.017062 0.009048 0.036940 33O 4s -0.169528 -0.006654 0.036073 0.130094 0.046631 -0.047556 33O 5s 1.952924 -0.480107 0.802310 0.590398 0.017821 0.445190 33O 1pz -0.009766 -0.030052 0.021649 0.024181 0.002067 0.021185 33O 1px 0.112268 0.008800 0.042303 -0.022384 -0.011650 -0.024319 33O 1py 0.022500 0.018585 -0.020794 0.025328 -0.013802 -0.046570 33O 2pz 0.129369 -0.014193 0.122529 0.081060 -0.041610 0.023865 33O 2px 0.140718 0.023707 0.038882 -0.100906 -0.038374 0.049910 33O 2py 0.091884 0.118693 -0.057971 0.088058 -0.033833 -0.126338 33O 3pz 0.078754 -0.567162 -0.110257 0.469145 -0.011939 -0.595454 33O 3px -1.523053 0.265151 -0.531276 -0.534145 0.367396 0.012447 33O 3py -0.372317 -0.648225 0.140425 -0.139284 0.195746 0.073408 33O 1dz2 0.003913 0.000986 0.000620 0.001293 0.000598 0.000566 33O 1dxz 0.004940 -0.002917 0.004962 0.005201 -0.003854 -0.007533 33O 1dyz 0.000310 0.001147 -0.001726 0.000332 0.000610 -0.000043 33O 1dx2y2 -0.007015 0.000905 -0.003811 -0.004970 0.001000 0.003839 33O 1dxy -0.000410 -0.003574 0.000997 0.000030 0.000292 -0.002104 33O 2dz2 0.004723 0.001125 -0.010229 0.021497 0.016367 -0.012767 33O 2dxz -0.059767 0.011534 -0.020686 -0.026719 0.016204 -0.006480 33O 2dyz 0.010733 -0.026125 0.021323 0.001208 -0.013694 0.012989 33O 2dx2y2 0.031878 0.009278 -0.006887 0.031352 0.010445 -0.027458 33O 2dxy -0.003013 -0.010757 0.011445 -0.004819 -0.005888 -0.001557 33O 1f0 -0.001815 0.000977 -0.000880 -0.001543 -0.001072 -0.000940 33O 1f+1 -0.000863 0.000587 0.000978 -0.000408 0.000884 0.000141 33O 1f-1 -0.000317 -0.000425 -0.000086 -0.000539 0.001294 -0.000301 33O 1f+2 0.002642 -0.000796 0.000819 0.002200 0.001274 0.000701 33O 1f-2 -0.001295 0.001109 0.000436 -0.000199 0.000684 0.001089 33O 1f+3 0.001425 -0.000423 0.000408 0.001906 0.001960 -0.000099 33O 1f-3 -0.000333 -0.000201 0.000470 -0.000173 -0.000910 -0.000119 34O 1s -0.005502 -0.003323 0.005982 0.002745 0.000998 0.001340 34O 2s -0.013133 -0.006862 0.013658 0.006650 0.001562 0.003445 34O 3s 0.020101 -0.010332 -0.000494 -0.017769 0.014743 -0.006608 34O 4s 0.097982 0.084208 -0.142986 -0.047502 -0.099644 -0.045285 34O 5s -0.808764 0.723862 -0.545077 0.836564 0.061355 0.005199 34O 1pz 0.019245 0.006895 -0.029388 -0.049562 -0.086603 0.052254 34O 1px 0.034617 -0.014014 0.031529 0.001596 -0.013647 -0.044385 34O 1py 0.016122 -0.004295 0.049022 -0.058245 -0.049898 0.003926 34O 2pz 0.024594 -0.023245 -0.069314 -0.188081 -0.210148 0.093397 34O 2px -0.024533 -0.022164 -0.017559 0.063864 -0.063405 -0.056056 34O 2py 0.075105 0.055430 0.147833 -0.133825 -0.116668 0.039746 34O 3pz 0.115631 0.095890 0.349382 0.645355 0.716941 -0.066851 34O 3px -0.389443 0.780093 -0.696990 0.955991 0.086441 0.111750 34O 3py -0.226881 -0.722530 -0.505510 -0.244270 0.286731 -0.298261 34O 1dz2 0.000806 0.002599 -0.004597 0.005459 0.002371 0.001885 34O 1dxz -0.001203 0.002986 -0.003220 0.000732 -0.003947 0.000829 34O 1dyz -0.000578 -0.002521 -0.000865 -0.001673 -0.000757 -0.000405 34O 1dx2y2 -0.000569 -0.006254 0.005733 -0.009306 -0.002641 -0.000828 34O 1dxy -0.000194 0.004914 0.000984 0.004361 0.000908 0.003126 34O 2dz2 0.021485 -0.012955 0.018150 0.024185 0.017638 -0.008105 34O 2dxz -0.011214 0.000596 0.007564 0.008753 0.005113 -0.007204 34O 2dyz -0.014296 -0.029593 0.003960 -0.026838 -0.014824 0.002766 34O 2dx2y2 -0.022390 0.005100 -0.030953 0.042443 -0.012332 -0.010497 34O 2dxy 0.009486 -0.012598 0.003943 -0.011019 0.007012 0.014328 34O 1f0 -0.000057 0.001169 -0.001668 -0.000332 -0.001116 -0.000274 34O 1f+1 0.002444 -0.000737 0.000793 -0.000720 0.001328 -0.000075 34O 1f-1 -0.001569 0.000596 0.000382 0.001118 0.000155 0.000069 34O 1f+2 -0.000079 -0.001600 0.000510 -0.000305 0.001630 -0.000457 34O 1f-2 -0.001291 -0.000492 -0.000225 -0.000762 -0.000821 -0.000971 34O 1f+3 0.000639 -0.000134 0.002764 -0.000472 0.002684 0.000947 34O 1f-3 -0.001895 0.000737 0.000821 0.001516 -0.000632 0.000534 35O 1s 0.001591 -0.006838 -0.000385 -0.003530 -0.003681 -0.007868 35O 2s 0.003261 -0.015194 -0.000312 -0.009434 -0.008694 -0.018842 35O 3s 0.005790 0.007130 -0.007791 0.040442 0.007339 0.025949 35O 4s -0.147412 0.232081 0.078027 -0.026682 0.112720 0.143116 35O 5s 1.029585 -1.427414 -0.412269 -0.857768 -0.602157 -0.204931 35O 1pz 0.063930 0.013279 -0.010451 -0.019026 0.063216 -0.020421 35O 1px -0.015819 0.058715 -0.046798 0.009212 0.031144 -0.004328 35O 1py -0.000944 0.011315 0.025142 -0.051280 -0.069590 0.052577 35O 2pz 0.140484 -0.049911 -0.037408 0.001205 0.182914 0.019855 35O 2px -0.040113 -0.035808 -0.109683 -0.083360 0.077695 -0.072523 35O 2py -0.007198 -0.072636 0.067941 -0.150696 -0.129937 0.177942 35O 3pz -0.401991 0.461159 0.091433 -0.532827 -0.839283 -0.806513 35O 3px 0.692750 -0.679351 -0.106696 -1.249579 -0.574734 0.027029 35O 3py 0.281536 -0.048863 -0.218427 -0.463142 -0.037199 -0.987978 35O 1dz2 0.003463 -0.000569 -0.003120 -0.008279 -0.003397 -0.003081 35O 1dxz 0.001700 -0.000646 0.000659 0.001481 0.004998 0.005482 35O 1dyz 0.002044 0.000261 0.000855 -0.000527 0.000270 -0.000442 35O 1dx2y2 -0.003125 0.002272 0.002233 0.010257 0.002836 0.000449 35O 1dxy -0.004660 0.003291 0.003257 0.008629 0.001826 0.004677 35O 2dz2 -0.003098 0.033584 0.020352 0.007575 -0.024033 0.014585 35O 2dxz -0.011894 -0.024682 -0.001582 -0.008921 -0.000398 0.015068 35O 2dyz 0.023986 0.017783 -0.016961 0.004605 -0.019736 -0.021945 35O 2dx2y2 0.015750 -0.022171 0.008329 -0.041609 -0.005319 0.018151 35O 2dxy 0.010981 -0.028807 -0.004260 -0.034744 -0.008465 0.008209 35O 1f0 0.000986 0.001445 -0.000232 0.001112 0.001560 0.001102 35O 1f+1 0.000195 0.002680 0.000160 0.001201 -0.001834 -0.000642 35O 1f-1 -0.000602 0.000534 -0.000185 0.000339 -0.000253 -0.000841 35O 1f+2 -0.001725 -0.000864 -0.000172 0.000190 -0.000464 -0.000293 35O 1f-2 -0.000341 -0.000827 -0.000357 -0.001009 -0.001908 -0.002845 35O 1f+3 -0.000228 -0.000045 0.000085 0.001118 -0.000403 -0.001415 35O 1f-3 0.000115 0.003303 0.000080 0.002654 -0.000794 0.000659 228 229 230 231 232 233 0.65809 0.65922 0.66621 0.66724 0.68254 0.69787 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s -0.000004 -0.001157 -0.001199 0.000790 -0.003092 0.000305 0Rh 2s -0.001438 -0.001444 0.002947 0.000088 0.006495 -0.000718 0Rh 3s -0.000910 -0.007643 -0.005174 0.004662 -0.014023 0.001338 0Rh 4s 0.007094 0.009030 -0.012548 -0.001724 -0.026876 0.003039 0Rh 5s -0.018291 -0.058577 -0.004683 0.028474 -0.026720 0.001695 0Rh 6s 0.035627 0.191337 0.090468 -0.107507 0.261269 -0.024765 0Rh 7s -0.194224 -1.672086 -0.678432 0.957641 -1.200308 0.262508 0Rh 8s -0.404510 2.028721 0.628168 -1.274159 -1.554311 -0.482407 0Rh 1pz -0.000179 0.006978 0.004567 0.014481 -0.000096 0.015432 0Rh 1px -0.003566 -0.000146 0.002182 0.006752 0.001992 0.004798 0Rh 1py 0.009436 -0.009039 -0.002656 0.000354 0.011836 0.001550 0Rh 2pz 0.000062 -0.024263 -0.015655 -0.049865 0.000464 -0.053536 0Rh 2px 0.012201 0.000290 -0.007729 -0.023106 -0.006495 -0.016560 0Rh 2py -0.032585 0.031209 0.009495 -0.001409 -0.040845 -0.005374 0Rh 3pz 0.010618 0.024557 0.011392 0.040294 -0.002674 0.050815 0Rh 3px -0.008474 0.003699 0.010378 0.016072 -0.002150 0.014115 0Rh 3py 0.028355 -0.027028 -0.014509 0.005089 0.034674 0.005094 0Rh 4pz -0.040173 0.021570 0.031949 0.090372 0.005552 0.065479 0Rh 4px -0.026172 -0.014367 -0.001536 0.050037 0.043312 0.026224 0Rh 4py 0.049009 -0.048025 0.010126 -0.014145 0.065794 0.006687 0Rh 5pz 0.061849 0.057330 0.000779 -0.015941 0.007644 0.072462 0Rh 5px -0.000867 0.014448 0.026191 -0.006433 -0.086392 0.012700 0Rh 5py 0.028199 -0.019660 -0.054745 0.039521 0.021211 0.004638 0Rh 6pz 0.488002 -0.810735 -1.025002 -1.483709 -0.708755 -1.506779 0Rh 6px 0.658941 -0.064686 -0.113723 -0.810422 1.009730 -0.504252 0Rh 6py -1.397439 1.120391 -0.177433 -0.053428 -0.610301 -0.055985 0Rh 1dz2 0.019251 0.007110 -0.006165 0.002959 -0.000837 -0.002291 0Rh 1dxz -0.033793 0.005223 0.013743 0.004717 0.034759 -0.012632 0Rh 1dyz -0.010708 -0.002488 -0.006393 -0.005877 0.002386 0.001922 0Rh 1dx2y2 -0.015367 0.008338 -0.006386 0.006756 0.011703 -0.005956 0Rh 1dxy 0.008812 -0.004336 0.028149 -0.004949 -0.005888 -0.009770 0Rh 2dz2 -0.003905 -0.000739 0.001491 -0.002333 -0.000198 0.000452 0Rh 2dxz 0.005393 -0.000435 -0.001787 -0.001227 -0.006038 0.001731 0Rh 2dyz 0.001611 0.000796 0.000787 0.001764 -0.000091 -0.000321 0Rh 2dx2y2 0.003293 -0.002326 0.000178 -0.001024 -0.002231 0.001629 0Rh 2dxy -0.001740 0.000361 -0.005382 0.000960 0.000735 0.001862 0Rh 3dz2 -0.021223 -0.010884 0.005821 0.003862 0.002362 0.002639 0Rh 3dxz 0.043598 -0.008497 -0.019518 -0.004239 -0.043076 0.017726 0Rh 3dyz 0.014240 0.001478 0.009270 0.004011 -0.004260 -0.002585 0Rh 3dx2y2 0.016186 -0.006618 0.011840 -0.009120 -0.013767 0.004899 0Rh 3dxy -0.010014 0.007026 -0.032647 0.005630 0.008482 0.011418 0Rh 4dz2 -0.074546 -0.016232 0.027091 -0.033930 -0.000348 0.009211 0Rh 4dxz 0.108419 -0.009556 -0.037194 -0.020541 -0.117979 0.035078 0Rh 4dyz 0.032576 0.014654 0.016710 0.032110 -0.003939 -0.004266 0Rh 4dx2y2 0.062728 -0.041433 0.007034 -0.017840 -0.043280 0.029218 0Rh 4dxy -0.033418 0.008566 -0.104277 0.019595 0.015553 0.036908 0Rh 5dz2 0.171053 -0.037570 -0.070206 0.123686 -0.017093 -0.041707 0Rh 5dxz -0.171166 -0.055857 0.019834 0.061605 0.189621 -0.008061 0Rh 5dyz -0.025921 -0.066975 0.018294 -0.125714 -0.008904 -0.042431 0Rh 5dx2y2 -0.151457 0.169777 0.073308 -0.043397 0.115429 -0.091017 0Rh 5dxy 0.092990 0.022541 0.240382 -0.070262 0.008156 -0.099986 0Rh 1f0 -0.014774 0.001974 -0.000920 -0.006521 0.001902 0.005784 0Rh 1f+1 -0.019203 -0.002516 0.003408 0.000905 0.014373 0.003450 0Rh 1f-1 0.006326 -0.000159 -0.003442 -0.000303 -0.002854 0.003501 0Rh 1f+2 -0.003728 -0.008219 -0.001407 -0.004755 -0.001763 -0.003299 0Rh 1f-2 0.006525 -0.004129 -0.003740 0.014370 0.001727 -0.006321 0Rh 1f+3 -0.007520 -0.001841 0.002750 0.005321 -0.001108 0.003265 0Rh 1f-3 0.010179 0.000057 0.006940 -0.008008 0.014015 0.002116 1Rh 1s -0.000288 -0.000946 0.001253 0.000660 0.003105 -0.000295 1Rh 2s 0.000640 -0.002120 -0.002892 0.000348 -0.006538 0.000723 1Rh 3s -0.001282 -0.006833 0.005522 0.004067 0.014072 -0.001274 1Rh 4s -0.002679 0.012011 0.012188 -0.002792 0.027067 -0.003081 1Rh 5s -0.001991 -0.059747 0.007243 0.027228 0.026630 -0.001268 1Rh 6s 0.023578 0.179448 -0.099014 -0.096322 -0.261945 0.023238 1Rh 7s -0.339273 -1.590849 0.761334 0.874031 1.203052 -0.245253 1Rh 8s 1.068701 1.906396 -0.749597 -1.184662 1.552428 0.456652 1Rh 1pz -0.002950 -0.006588 0.002088 -0.015158 0.000348 0.015214 1Rh 1px -0.003460 0.001314 0.001184 -0.007070 0.002079 0.004772 1Rh 1py 0.011453 0.005889 -0.002249 -0.000252 0.011852 0.001408 1Rh 2pz 0.009693 0.023082 -0.007095 0.052216 -0.001071 -0.052787 1Rh 2px 0.011909 -0.004282 -0.004304 0.024237 -0.006795 -0.016475 1Rh 2py -0.039555 -0.020354 0.008111 0.001012 -0.040904 -0.004879 1Rh 3pz 0.000983 -0.026760 0.004024 -0.042552 -0.001277 0.050211 1Rh 3px -0.009584 -0.001070 0.007766 -0.017633 -0.001913 0.014122 1Rh 3py 0.034519 0.017993 -0.013813 -0.003834 0.034823 0.004582 1Rh 4pz -0.049492 -0.007743 0.018328 -0.093121 0.007695 0.064103 1Rh 4px -0.021039 0.023730 -0.008065 -0.049677 0.043861 0.025799 1Rh 4py 0.059157 0.030141 0.014431 0.011175 0.065483 0.006165 1Rh 5pz 0.043313 -0.074703 -0.001238 0.012651 0.008626 0.072743 1Rh 5px -0.004540 -0.017735 0.025537 0.002767 -0.086379 0.012954 1Rh 5py 0.034551 0.012649 -0.059357 -0.032400 0.021984 0.005057 1Rh 6pz 0.755443 0.633450 -0.750617 1.604914 -0.751727 -1.486997 1Rh 6px 0.658737 -0.089155 0.015192 0.811887 0.996565 -0.487656 1Rh 6py -1.674789 -0.612777 -0.214253 0.137120 -0.598463 -0.113839 1Rh 1dz2 -0.015986 0.012369 0.007034 0.002504 0.000816 0.001990 1Rh 1dxz 0.033693 -0.006036 -0.012905 0.004860 -0.035122 0.012549 1Rh 1dyz 0.008687 -0.005946 0.005876 -0.007091 -0.002567 -0.001657 1Rh 1dx2y2 0.017206 0.002426 0.007534 0.004571 -0.011988 0.005883 1Rh 1dxy -0.009832 0.000267 -0.028474 -0.000493 0.006018 0.009326 1Rh 2dz2 0.003405 -0.001807 -0.001857 -0.002202 0.000210 -0.000477 1Rh 2dxz -0.005207 0.001356 0.001584 -0.001199 0.006111 -0.001749 1Rh 2dyz -0.001164 0.001274 -0.000569 0.001884 0.000089 0.000285 1Rh 2dx2y2 -0.003928 -0.001049 -0.000364 -0.000708 0.002289 -0.001670 1Rh 2dxy 0.001770 -0.000495 0.005449 0.000133 -0.000768 -0.001778 1Rh 3dz2 0.016909 -0.016665 -0.005999 0.004211 -0.002373 -0.001943 1Rh 3dxz -0.044219 0.006064 0.018709 -0.004640 0.043492 -0.017491 1Rh 3dyz -0.012184 0.006260 -0.009182 0.005891 0.004627 0.002213 1Rh 3dx2y2 -0.017141 -0.000414 -0.013341 -0.006155 0.014088 -0.004590 1Rh 3dxy 0.011893 0.001583 0.033002 0.000354 -0.008599 -0.010895 1Rh 4dz2 0.064739 -0.036827 -0.032877 -0.031733 0.000522 -0.009175 1Rh 4dxz -0.105056 0.026351 0.033735 -0.020195 0.119278 -0.035199 1Rh 4dyz -0.023911 0.024504 -0.012968 0.034914 0.004022 0.003480 1Rh 4dx2y2 -0.073539 -0.017240 -0.010337 -0.011436 0.044319 -0.029641 1Rh 4dxy 0.034658 -0.008079 0.105631 0.003448 -0.016185 -0.035265 1Rh 5dz2 -0.171581 0.014704 0.087162 0.118618 0.017106 0.044185 1Rh 5dxz 0.139237 -0.107902 -0.010981 0.057261 -0.191597 0.009489 1Rh 5dyz -0.002579 -0.069895 -0.034366 -0.121247 0.011671 0.043979 1Rh 5dx2y2 0.201875 0.107991 -0.075704 -0.046505 -0.116974 0.093041 1Rh 5dxy -0.082373 0.061291 -0.245814 -0.033760 -0.005688 0.095855 1Rh 1f0 -0.014092 0.002630 -0.000295 0.006965 0.001903 0.005906 1Rh 1f+1 -0.018585 0.008652 0.004763 -0.000565 0.013616 0.003505 1Rh 1f-1 0.006880 -0.001579 -0.004438 0.000469 -0.002320 0.003532 1Rh 1f+2 -0.000199 0.009334 -0.000963 0.005063 -0.001689 -0.003155 1Rh 1f-2 0.005483 0.002287 -0.003772 -0.013797 0.001254 -0.006653 1Rh 1f+3 -0.006612 0.004395 0.002035 -0.005479 -0.001123 0.003339 1Rh 1f-3 0.010526 -0.003617 0.006851 0.006804 0.014411 0.001984 2C 1s -0.003026 -0.001761 0.004218 -0.001596 0.003919 -0.000050 2C 2s -0.008742 -0.007804 0.011892 -0.003416 0.009218 -0.003071 2C 3s -0.002341 0.041546 -0.014371 -0.004287 0.036937 0.074955 2C 4s 0.125314 -0.336965 -0.067035 0.044397 -0.164992 -0.444800 2C 5s -0.024507 3.704223 -3.680707 -1.823934 -3.761047 -1.177986 2C 1pz 0.009957 0.012368 -0.017243 -0.019098 0.029418 0.013424 2C 1px -0.010570 0.012072 -0.004705 -0.008320 -0.002177 -0.009767 2C 1py 0.000184 0.006615 -0.012610 -0.011105 -0.008991 0.009554 2C 2pz 0.003976 -0.066807 -0.205365 -0.142813 -0.067459 -0.081331 2C 2px -0.062113 -0.012943 0.036813 -0.049185 -0.048826 -0.153789 2C 2py 0.087500 0.114618 0.073867 0.056904 -0.074169 -0.097586 2C 3pz -0.232563 0.436858 -1.211396 -0.535529 -1.182785 -0.397749 2C 3px -0.279042 -0.371413 0.371594 0.120829 -0.463999 -0.618117 2C 3py 0.449640 1.008481 -0.146177 -0.137409 -0.070914 -0.439804 2C 1dz2 0.000059 0.000591 0.000299 0.001941 -0.004778 -0.002788 2C 1dxz -0.001275 -0.001909 -0.000431 0.000161 -0.002213 -0.000955 2C 1dyz -0.000120 0.000741 -0.004374 -0.003399 -0.002277 -0.002689 2C 1dx2y2 -0.000614 -0.000618 -0.001906 -0.000400 0.000166 0.003407 2C 1dxy 0.002542 0.004364 0.003389 0.000281 0.003468 0.000294 2C 2dz2 0.026204 0.034662 0.060028 0.022178 -0.033603 -0.035576 2C 2dxz 0.109144 0.041056 0.011651 0.025713 0.024895 0.052503 2C 2dyz -0.081904 -0.005994 0.057730 -0.027848 0.010348 -0.094429 2C 2dx2y2 0.071109 0.047706 0.184289 0.117364 -0.073188 -0.071213 2C 2dxy -0.053829 -0.202508 -0.165176 -0.021904 -0.160122 0.023315 2C 1f0 0.006614 0.008728 0.007139 0.001860 0.000891 -0.003253 2C 1f+1 -0.000132 -0.003578 -0.005831 -0.005091 -0.001447 -0.002156 2C 1f-1 0.003957 0.002972 -0.005943 -0.000930 -0.005192 -0.000257 2C 1f+2 -0.002215 -0.006933 0.002959 -0.003294 0.005779 0.001540 2C 1f-2 0.007444 0.003794 -0.004596 -0.000074 -0.005588 -0.000904 2C 1f+3 -0.001910 -0.000903 0.007290 -0.000445 0.003506 -0.002417 2C 1f-3 -0.004641 0.000375 0.001678 0.000790 -0.000584 -0.000735 3C 1s -0.006488 0.000081 -0.001173 0.003104 0.004452 0.000898 3C 2s -0.017083 -0.002528 -0.004075 0.010655 0.014259 0.001005 3C 3s -0.016017 0.033794 0.021706 -0.046800 -0.091098 0.040563 3C 4s 0.151019 -0.262904 -0.003254 0.362808 0.516037 -0.156898 3C 5s 7.483130 1.540832 -0.006945 -2.340552 -3.053846 -2.297299 3C 1pz 0.010638 0.010999 0.012027 -0.003975 -0.001311 -0.011162 3C 1px -0.000945 0.005570 0.004827 -0.005020 -0.018538 0.008363 3C 1py -0.006255 -0.016882 -0.015379 -0.004429 0.005889 -0.019009 3C 2pz 0.117602 0.008612 0.128469 -0.088815 0.051841 -0.109320 3C 2px 0.072665 -0.086109 0.081966 -0.136215 -0.009027 0.016942 3C 2py -0.135231 -0.050576 0.051850 -0.161101 -0.098516 0.065124 3C 3pz 1.144418 0.448609 0.349627 -0.638029 -0.564829 0.136892 3C 3px 0.765061 -0.364888 0.332740 -0.305056 0.018090 -0.206954 3C 3py -1.700544 -0.122965 0.405840 -0.015854 0.274958 0.846338 3C 1dz2 -0.001489 0.000893 -0.003225 0.003083 -0.000160 0.001473 3C 1dxz 0.003513 -0.002255 0.002574 -0.001530 0.001830 -0.000807 3C 1dyz -0.004482 -0.001530 -0.000042 -0.000160 0.000958 -0.000919 3C 1dx2y2 -0.002806 0.002347 0.002563 -0.000909 -0.001197 0.003378 3C 1dxy -0.001636 -0.000943 0.001556 -0.001002 -0.002849 0.003733 3C 2dz2 0.081025 0.028820 0.063720 -0.032008 -0.084661 0.092685 3C 2dxz -0.040202 0.069330 -0.200935 0.217908 0.008010 0.023410 3C 2dyz -0.015843 0.044469 0.036122 -0.039731 -0.038695 0.044439 3C 2dx2y2 -0.029247 -0.050318 -0.155878 0.141920 -0.046190 0.026607 3C 2dxy -0.015783 0.037510 0.013840 -0.038332 0.068085 -0.034848 3C 1f0 -0.001640 -0.000479 -0.004254 0.004492 -0.001633 0.002067 3C 1f+1 0.001810 -0.001242 0.002915 -0.004685 -0.002259 -0.001823 3C 1f-1 0.004559 0.002021 0.004740 -0.004019 -0.000651 0.002653 3C 1f+2 -0.012845 -0.005475 -0.002516 0.004992 0.000853 0.005088 3C 1f-2 -0.008443 -0.000259 -0.000300 0.006847 0.003271 0.000017 3C 1f+3 0.001575 0.001303 -0.007473 0.006148 0.000266 0.001759 3C 1f-3 -0.003457 -0.001513 -0.008041 0.004320 -0.001364 0.001361 4C 1s -0.003418 0.001322 -0.000764 -0.004770 0.005137 -0.006066 4C 2s -0.010171 0.002118 -0.000187 -0.010303 0.014654 -0.014147 4C 3s 0.089062 0.050518 0.016835 -0.038318 -0.189053 -0.069950 4C 4s -0.146630 -0.363686 -0.541439 0.566483 0.679023 0.925454 4C 5s -0.439105 -3.309971 1.073732 1.382647 2.967724 1.191749 4C 1pz 0.052282 0.000818 -0.028258 0.052515 -0.062556 0.048929 4C 1px -0.031636 0.013394 0.024315 -0.063791 0.013649 -0.015416 4C 1py 0.044959 0.028823 -0.008007 0.007900 -0.013658 0.023042 4C 2pz 0.089722 -0.202423 -0.120463 0.359578 0.099135 0.188336 4C 2px -0.098493 0.105059 -0.060188 -0.560761 -0.082112 -0.151064 4C 2py -0.068618 -0.022001 -0.009368 0.044439 -0.000058 0.130468 4C 3pz -0.162733 0.280096 -1.865804 -1.049690 -1.172531 -2.092555 4C 3px 0.355729 0.742050 -0.973489 -0.838740 0.252420 0.133758 4C 3py -1.208719 -0.077507 -1.405099 -0.674061 -1.480243 -0.796730 4C 1dz2 -0.001597 0.005955 -0.006335 -0.000259 -0.002828 0.000574 4C 1dxz -0.000816 0.013735 0.000657 -0.005706 -0.001730 -0.005190 4C 1dyz 0.008769 0.008375 -0.004833 -0.000876 -0.005192 -0.000334 4C 1dx2y2 -0.005655 -0.000809 0.005440 0.008769 0.010106 0.005906 4C 1dxy -0.004608 -0.002887 -0.008195 -0.004390 0.000138 0.002404 4C 2dz2 -0.005503 -0.110524 0.074233 -0.029105 0.124882 -0.051527 4C 2dxz -0.021456 -0.027466 0.030354 -0.202549 -0.026706 -0.199557 4C 2dyz -0.168673 -0.111842 0.164437 0.105061 0.100433 0.057739 4C 2dx2y2 0.090741 -0.004667 -0.196658 -0.055716 0.156187 0.087199 4C 2dxy -0.020893 -0.074971 -0.051677 -0.102659 -0.031971 0.044691 4C 1f0 0.002326 0.002426 0.000854 -0.004086 -0.005691 -0.005745 4C 1f+1 -0.003093 0.003932 0.003470 -0.008349 -0.012599 -0.012214 4C 1f-1 -0.000143 -0.003704 -0.001397 0.003358 -0.004484 -0.004467 4C 1f+2 -0.002442 -0.006189 -0.006568 0.010202 0.017274 0.013089 4C 1f-2 0.003346 -0.000309 0.003011 -0.009819 -0.001408 -0.008283 4C 1f+3 -0.003550 0.003073 0.006640 0.011649 0.004234 0.004743 4C 1f-3 0.011021 0.004549 0.006814 0.003901 -0.008061 -0.007101 5C 1s -0.003206 0.001500 -0.000874 0.005355 0.005108 -0.000993 5C 2s -0.010890 0.002893 -0.002749 0.013393 0.012159 -0.001661 5C 3s 0.137929 0.023342 -0.033356 -0.063372 0.050795 -0.077110 5C 4s -0.052041 -0.266678 0.508513 -0.082917 -0.935806 0.569310 5C 5s -4.253997 -1.701284 0.671072 2.432043 1.238283 1.716693 5C 1pz 0.013336 0.012345 -0.008078 -0.012044 -0.024667 0.002828 5C 1px -0.011790 -0.002477 0.055009 -0.114817 0.003578 -0.000772 5C 1py -0.050117 -0.001604 -0.008727 0.025183 0.064345 0.002653 5C 2pz -0.028152 0.054276 0.071324 0.166263 -0.121717 -0.062392 5C 2px 0.033444 -0.309538 0.092097 -0.728076 -0.199268 0.134476 5C 2py 0.021819 0.039495 -0.083680 -0.122962 0.088666 -0.075110 5C 3pz 1.995534 -0.571261 -0.368389 0.850871 -0.324767 -1.338065 5C 3px 1.690348 -0.001841 0.089128 -0.160117 0.030583 -0.918498 5C 3py -3.634864 0.308103 -0.223306 -0.757223 -0.030562 0.685910 5C 1dz2 -0.002232 0.001334 0.001876 0.001750 0.008936 -0.002839 5C 1dxz 0.004439 0.005579 -0.003193 0.002362 0.004298 -0.004043 5C 1dyz -0.006256 -0.005052 -0.002583 0.001873 0.003580 0.000691 5C 1dx2y2 -0.009886 -0.004648 0.002980 -0.000022 0.002207 0.004176 5C 1dxy -0.011459 -0.000454 -0.007741 0.015151 0.001306 0.001851 5C 2dz2 0.040248 0.003234 -0.001339 -0.076634 -0.000955 -0.176544 5C 2dxz -0.060618 -0.106859 -0.099787 -0.068226 0.093126 -0.079087 5C 2dyz 0.184771 0.066330 -0.032356 -0.116766 0.011646 0.046353 5C 2dx2y2 0.090660 -0.049809 0.093676 -0.190138 -0.217519 0.018730 5C 2dxy 0.086134 0.145726 0.131392 0.085458 0.053544 -0.138334 5C 1f0 0.000010 -0.001501 -0.006790 -0.007882 -0.000986 0.004453 5C 1f+1 0.003377 0.006799 0.003690 0.004691 0.013924 -0.008052 5C 1f-1 0.000041 -0.003405 0.000784 -0.002333 0.001100 0.006067 5C 1f+2 -0.001204 0.001748 0.005863 -0.002886 -0.005240 -0.001771 5C 1f-2 -0.006809 0.009692 0.004334 0.017405 -0.005053 0.003364 5C 1f+3 0.005671 0.005894 -0.004901 0.006610 0.010577 -0.010409 5C 1f-3 -0.009332 -0.002236 0.009960 -0.001991 -0.004817 0.007996 6C 1s 0.003846 0.000199 0.001111 0.005111 -0.004959 0.001227 6C 2s 0.011914 -0.001253 0.003406 0.012597 -0.011821 0.002208 6C 3s -0.118907 0.066621 0.025515 -0.064502 -0.051127 0.076017 6C 4s -0.091047 -0.245742 -0.478983 -0.001279 0.924480 -0.575025 6C 5s 3.390744 -2.959087 -0.322886 2.381159 -1.263047 -1.672919 6C 1pz 0.009122 -0.018032 -0.008196 0.012517 -0.024693 0.003245 6C 1px -0.006815 0.005042 0.068867 0.106278 0.004063 0.000620 6C 1py -0.048225 0.019560 -0.008640 -0.020628 0.063937 0.001607 6C 2pz -0.036500 -0.046655 0.034786 -0.172952 -0.115827 -0.064130 6C 2px 0.153362 0.276304 0.198052 0.698711 -0.209490 0.148349 6C 2py -0.005524 -0.037699 -0.049018 0.134597 0.080905 -0.074984 6C 3pz 1.996514 -0.057997 -0.422128 -0.856539 -0.327925 -1.359849 6C 3px 1.570221 -0.490754 0.166429 0.108000 -0.002283 -0.871066 6C 3py -3.417409 0.850475 -0.221417 0.892741 -0.024500 0.735947 6C 1dz2 0.002957 0.000601 -0.001863 0.001856 -0.008906 0.002847 6C 1dxz -0.001842 0.006335 0.003280 0.002104 -0.004283 0.003868 6C 1dyz 0.004267 -0.007028 0.002473 0.001221 -0.003430 -0.000696 6C 1dx2y2 0.007072 -0.007601 -0.002545 0.000063 -0.002429 -0.004466 6C 1dxy 0.010810 -0.004310 0.009961 0.013525 -0.001758 -0.001521 6C 2dz2 -0.037827 0.015671 -0.010250 -0.075746 0.004814 0.173982 6C 2dxz 0.021159 -0.126965 0.084926 -0.085515 -0.092088 0.076418 6C 2dyz -0.150787 0.125129 0.017303 -0.112200 -0.010822 -0.044801 6C 2dx2y2 -0.107166 -0.012220 -0.117566 -0.165513 0.221486 -0.021679 6C 2dxy -0.034594 0.166113 -0.110762 0.102429 -0.056633 0.137059 6C 1f0 0.000331 0.001480 -0.005330 0.008553 -0.001156 0.004530 6C 1f+1 0.000515 -0.007522 0.003028 -0.004874 0.014012 -0.008095 6C 1f-1 0.001175 0.003110 0.001185 0.002162 0.001095 0.005965 6C 1f+2 -0.001468 -0.001362 0.006020 0.002128 -0.005279 -0.001733 6C 1f-2 -0.009414 -0.006996 0.001259 -0.017556 -0.004697 0.003219 6C 1f+3 0.002774 -0.007002 -0.005649 -0.005769 0.010716 -0.010554 6C 1f-3 -0.007438 0.004883 0.009807 0.000725 -0.004687 0.008059 7C 1s 0.002965 0.000185 0.000772 -0.005039 -0.005427 0.005964 7C 2s 0.008668 -0.001107 0.000287 -0.010816 -0.015325 0.013936 7C 3s -0.065983 0.075895 -0.020392 -0.031696 0.189668 0.069952 7C 4s 0.054331 -0.406514 0.554299 0.480685 -0.659106 -0.921582 7C 5s -0.441876 -3.298831 -1.084830 1.560982 -2.902758 -1.207811 7C 1pz 0.043667 -0.015829 -0.031904 -0.051163 -0.063277 0.047646 7C 1px -0.026956 -0.003516 0.030323 0.062214 0.013697 -0.014596 7C 1py 0.032497 -0.041032 -0.008510 -0.008173 -0.013255 0.022203 7C 2pz 0.119415 0.172999 -0.142485 -0.347594 0.096185 0.186537 7C 2px -0.082774 -0.079715 0.005385 0.580548 -0.093565 -0.150282 7C 2py -0.061742 0.041491 -0.004462 -0.039959 -0.005237 0.126964 7C 3pz -0.034536 -0.197094 -1.851661 1.358035 -1.141148 -2.068683 7C 3px 0.156598 -0.782250 -0.871192 0.967783 0.268635 0.124268 7C 3py -0.982818 0.460504 -1.390150 0.921016 -1.470643 -0.789501 7C 1dz2 0.003310 0.004880 0.006542 -0.001064 0.002685 -0.000777 7C 1dxz 0.004444 0.012785 -0.000459 -0.006001 0.001504 0.005292 7C 1dyz -0.005760 0.010673 0.005089 -0.001423 0.004992 0.000323 7C 1dx2y2 0.005683 -0.002518 -0.004802 0.009184 -0.009862 -0.005770 7C 1dxy 0.003366 -0.004468 0.007054 -0.005664 0.000103 -0.002333 7C 2dz2 -0.029347 -0.106810 -0.079975 -0.018449 -0.123327 0.049991 7C 2dxz -0.002568 -0.024885 -0.053297 -0.201576 0.030507 0.198110 7C 2dyz 0.126548 -0.153829 -0.152504 0.120950 -0.100298 -0.054460 7C 2dx2y2 -0.088238 0.017207 0.185741 -0.082600 -0.155414 -0.089440 7C 2dxy -0.011125 -0.072189 0.033237 -0.108321 0.038271 -0.047523 7C 1f0 0.001664 -0.003247 0.001102 0.003848 -0.005759 -0.005616 7C 1f+1 -0.003498 -0.002732 0.003851 0.007890 -0.012453 -0.012122 7C 1f-1 0.000792 0.003758 -0.001735 -0.003286 -0.004328 -0.004499 7C 1f+2 -0.001199 0.007246 -0.007128 -0.009241 0.017303 0.013214 7C 1f-2 0.004022 -0.001016 0.003964 0.009601 -0.001664 -0.008193 7C 1f+3 -0.004987 -0.001597 0.005048 -0.012345 0.004478 0.004638 7C 1f-3 0.008648 -0.007781 0.005761 -0.005277 -0.007632 -0.007176 8C 1s 0.006271 -0.002155 0.001434 0.002590 -0.004463 -0.000877 8C 2s 0.015609 -0.008327 0.005035 0.009125 -0.014312 -0.000901 8C 3s 0.025229 0.028238 -0.026724 -0.042955 0.091342 -0.041761 8C 4s -0.223115 -0.202539 0.044609 0.362838 -0.516529 0.168284 8C 5s -6.444052 3.841673 -0.357688 -2.070177 3.079905 2.263317 8C 1pz 0.006170 -0.013346 0.012009 0.001670 -0.001184 -0.010913 8C 1px -0.003629 -0.005112 0.005949 0.003547 -0.018884 0.008636 8C 1py 0.000296 0.018839 -0.015143 0.006421 0.005860 -0.018428 8C 2pz 0.110106 -0.047756 0.141821 0.067815 0.048633 -0.106617 8C 2px 0.096514 0.052374 0.100607 0.117115 -0.011884 0.015658 8C 2py -0.104800 0.088206 0.073301 0.155479 -0.102690 0.068409 8C 3pz 0.927218 -0.810075 0.451066 0.549395 -0.578183 0.135652 8C 3px 0.836253 0.078193 0.377462 0.227659 0.016861 -0.228490 8C 3py -1.518940 0.629132 0.379701 0.012137 0.282274 0.836663 8C 1dz2 0.001724 0.000259 0.003704 0.002570 0.000051 -0.001416 8C 1dxz -0.004076 -0.000873 -0.002867 -0.001125 -0.001711 0.000855 8C 1dyz 0.003591 -0.002927 0.000075 -0.000319 -0.000976 0.000828 8C 1dx2y2 0.003348 0.001401 -0.002569 -0.000650 0.001163 -0.003319 8C 1dxy 0.001158 -0.001171 -0.001649 -0.000786 0.002898 -0.003717 8C 2dz2 -0.067914 0.057728 -0.066219 -0.019842 0.085432 -0.088815 8C 2dxz 0.067137 0.040378 0.228964 0.186596 -0.013780 -0.021139 8C 2dyz 0.028989 0.039492 -0.041110 -0.033837 0.039656 -0.044957 8C 2dx2y2 0.015281 -0.059160 0.172839 0.118892 0.044769 -0.022477 8C 2dxy 0.023853 0.024309 -0.014860 -0.036665 -0.069436 0.030856 8C 1f0 -0.001463 0.001118 -0.004768 -0.003797 -0.001570 0.001955 8C 1f+1 0.002123 0.000529 0.003482 0.004104 -0.002329 -0.001801 8C 1f-1 0.003645 -0.003660 0.005221 0.003113 -0.000694 0.002582 8C 1f+2 -0.010352 0.009419 -0.002775 -0.004113 0.000906 0.004994 8C 1f-2 -0.008036 0.003279 -0.001141 -0.006372 0.003368 0.000100 8C 1f+3 0.000805 -0.001438 -0.008224 -0.005106 0.000507 0.001619 8C 1f-3 -0.003004 0.002855 -0.008481 -0.003243 -0.001285 0.001273 9C 1s 0.002332 -0.002525 -0.004393 -0.001074 -0.003898 -0.000013 9C 2s 0.005888 -0.009876 -0.012330 -0.001950 -0.009132 0.002924 9C 3s 0.014418 0.039186 0.014392 -0.006889 -0.036797 -0.074563 9C 4s -0.213399 -0.289678 0.062322 0.043636 0.167785 0.439256 9C 5s 0.836045 3.486343 3.700698 -2.414716 3.672400 1.193676 9C 1pz 0.005681 -0.014067 -0.015281 0.021042 0.029162 0.014587 9C 1px -0.012891 -0.008680 -0.004064 0.009836 -0.002184 -0.009983 9C 1py -0.002059 -0.005940 -0.011404 0.012837 -0.008816 0.009550 9C 2pz 0.026504 0.069780 -0.182566 0.167569 -0.069487 -0.074696 9C 2px -0.049523 0.032275 0.036057 0.053120 -0.054073 -0.152869 9C 2py 0.043417 -0.137952 0.059884 -0.065772 -0.070613 -0.101925 9C 3pz -0.270534 -0.333504 -1.182758 0.711552 -1.162245 -0.386979 9C 3px -0.132409 0.449186 0.320033 -0.142536 -0.479511 -0.614431 9C 3py 0.156652 -1.090794 -0.191232 0.178428 -0.057500 -0.458246 9C 1dz2 0.000122 0.000729 0.000060 0.001939 0.004694 0.002817 9C 1dxz 0.000504 -0.002377 0.000447 0.000120 0.002207 0.000960 9C 1dyz 0.000041 0.000572 0.004033 -0.003963 0.002259 0.002631 9C 1dx2y2 0.000367 -0.000841 0.001768 -0.000524 -0.000171 -0.003426 9C 1dxy -0.001088 0.004910 -0.003029 0.000647 -0.003523 -0.000301 9C 2dz2 -0.015577 0.041815 -0.053476 0.030011 0.031213 0.039127 9C 2dxz -0.085468 0.078500 -0.010532 0.033371 -0.028850 -0.053026 9C 2dyz 0.072643 -0.028367 -0.058682 -0.026381 -0.008292 0.093252 9C 2dx2y2 -0.048366 0.076911 -0.164465 0.139730 0.068305 0.075878 9C 2dxy -0.010540 -0.208895 0.146159 -0.035168 0.165296 -0.025034 9C 1f0 0.003529 -0.010386 0.006380 -0.002662 0.001145 -0.003444 9C 1f+1 0.001245 0.003330 -0.004823 0.005717 -0.001651 -0.002037 9C 1f-1 0.002564 -0.003723 -0.005610 0.001578 -0.005112 -0.000231 9C 1f+2 -0.000035 0.007211 0.003842 0.002814 0.005839 0.001561 9C 1f-2 0.005839 -0.005846 -0.004528 0.000390 -0.005347 -0.000789 9C 1f+3 -0.001327 0.000981 0.007163 -0.000405 0.003485 -0.002429 9C 1f-3 -0.004546 0.001263 0.001684 -0.000718 -0.000584 -0.000853 10H 1s -0.002059 0.001661 -0.000732 -0.011219 0.014200 0.004215 10H 2s -0.055946 -0.242596 -0.046246 -0.123100 0.296354 0.147624 10H 3s 0.120991 -0.160781 -0.153663 0.053761 0.321990 0.168935 10H 1pz -0.009230 -0.023449 -0.008204 0.001492 -0.001812 0.009838 10H 1px -0.000570 0.001116 0.015296 0.009161 -0.008883 -0.014833 10H 1py 0.012019 0.001200 0.015339 0.015761 0.005235 -0.001936 11H 1s -0.006084 -0.015688 0.002738 -0.006094 0.007626 0.000916 11H 2s -0.340301 -0.496441 0.037808 -0.196224 0.145880 -0.148690 11H 3s -0.265737 -0.912939 0.096807 0.073495 -0.190427 -0.364412 11H 1pz -0.018147 -0.018806 -0.010087 -0.016539 0.007717 -0.000116 11H 1px -0.021556 -0.014220 0.005995 -0.003853 -0.002627 -0.006451 11H 1py 0.006668 0.020295 0.018105 0.008234 0.014487 0.005139 12H 1s 0.004148 -0.001204 0.008739 -0.001550 0.023578 -0.000928 12H 2s -0.042223 0.011160 0.538637 0.082329 0.327890 -0.187501 12H 3s 0.176132 -0.150715 0.719788 0.312917 0.434334 -0.304068 12H 1pz -0.005574 -0.015809 -0.011393 -0.005081 -0.009672 0.003064 12H 1px 0.001347 0.001110 0.018386 0.000824 0.007487 -0.016219 12H 1py 0.000086 0.016997 0.041247 0.014344 0.008290 -0.005377 13H 1s -0.014843 0.010300 0.007405 0.003055 0.005336 0.012107 13H 2s -0.388747 0.072739 -0.094498 0.403624 0.232866 0.106679 13H 3s -0.469595 0.048703 -0.168844 0.374848 0.193669 0.277868 13H 1pz -0.011896 -0.001938 0.000606 0.007221 0.000838 0.003930 13H 1px 0.008215 -0.014775 0.014949 -0.016832 0.004758 -0.003236 13H 1py 0.011874 0.003810 0.016653 -0.028998 -0.003064 0.007613 14H 1s -0.009362 -0.003866 0.006921 0.010444 0.012763 0.013891 14H 2s -0.253355 -0.205598 0.310178 -0.075744 0.228023 0.096121 14H 3s -0.278617 -0.408926 0.390516 -0.011401 0.350335 0.191306 14H 1pz -0.007708 -0.004405 0.017474 -0.021233 -0.004427 -0.007167 14H 1px -0.001088 -0.015220 0.027288 -0.028104 0.004736 0.001795 14H 1py 0.014319 0.001352 0.011595 -0.006037 -0.010495 0.001363 15H 1s -0.017408 -0.000024 -0.003931 0.019471 0.017463 -0.000198 15H 2s -0.436468 -0.148217 -0.241412 0.534154 0.367293 0.055944 15H 3s -0.411163 -0.521385 -0.325524 0.711744 0.744938 -0.186630 15H 1pz 0.006928 0.006442 0.016697 -0.016892 -0.013005 0.009619 15H 1px 0.002214 -0.008326 0.009362 -0.009788 -0.001580 -0.004862 15H 1py 0.016343 0.000905 0.019723 -0.022945 0.003851 -0.009179 16H 1s -0.010164 -0.008462 0.007806 -0.010613 -0.013535 -0.014915 16H 2s 0.091124 -0.070081 0.007715 0.128717 0.103224 0.251824 16H 3s 0.444998 -0.049737 -0.100762 0.507958 0.209556 0.744082 16H 1pz 0.013050 0.004897 0.002312 0.007852 0.005624 0.035584 16H 1px -0.003699 -0.000345 0.012683 -0.011885 -0.024195 -0.019416 16H 1py 0.006445 -0.011011 -0.012108 0.015280 0.014222 -0.003394 17H 1s -0.015801 0.003406 0.009974 0.011674 -0.019539 0.007864 17H 2s -0.007432 -0.209589 -0.132187 0.093824 0.154194 -0.202097 17H 3s 0.045606 -0.505837 -0.365979 0.018987 0.454584 -0.433190 17H 1pz 0.010833 0.003785 -0.001439 -0.000403 0.005982 0.017470 17H 1px -0.012523 0.016327 0.020699 -0.001365 -0.030207 0.028692 17H 1py 0.001020 -0.014189 -0.011935 0.006127 0.018134 0.004968 18H 1s 0.016632 -0.000659 -0.008398 0.013163 0.019580 -0.008385 18H 2s -0.046949 -0.212485 0.124226 0.071485 -0.145440 0.203537 18H 3s -0.190525 -0.494726 0.323129 -0.043074 -0.429539 0.435514 18H 1pz 0.010175 -0.007387 -0.002484 0.000394 0.005915 0.016923 18H 1px -0.016727 -0.013490 0.019580 -0.001844 -0.030100 0.029358 18H 1py 0.005195 0.013952 -0.011949 -0.004196 0.017647 0.004844 19H 1s 0.006454 -0.010290 -0.009197 -0.009253 0.013843 0.014749 19H 2s -0.118635 -0.041421 0.021801 0.136910 -0.111456 -0.247559 19H 3s -0.467879 0.063986 0.203671 0.510812 -0.238181 -0.731942 19H 1pz 0.011601 -0.009056 0.000048 -0.008688 0.006133 0.035609 19H 1px -0.003413 0.000722 0.014226 0.010038 -0.024391 -0.019113 19H 1py 0.009285 0.009668 -0.014139 -0.013594 0.014468 -0.003734 20H 1s 0.017099 -0.006104 0.006107 0.017988 -0.017650 0.000373 20H 2s 0.376508 -0.295772 0.302615 0.476676 -0.375437 -0.048779 20H 3s 0.227815 -0.650437 0.410904 0.644097 -0.749608 0.194126 20H 1pz 0.005097 -0.009262 0.018958 0.014293 -0.013445 0.009500 20H 1px 0.005234 0.007070 0.010316 0.008248 -0.001909 -0.004742 20H 1py 0.015499 -0.006855 0.022834 0.019447 0.003024 -0.008823 21H 1s 0.008130 -0.006586 -0.006087 0.010898 -0.012545 -0.013345 21H 2s 0.169952 -0.267028 -0.329265 -0.041965 -0.220253 -0.092537 21H 3s 0.113243 -0.449532 -0.397559 0.030109 -0.344008 -0.175711 21H 1pz -0.005014 0.006139 0.020581 0.019071 -0.005019 -0.006564 21H 1px 0.004830 0.013525 0.030943 0.024039 0.004251 0.001971 21H 1py 0.013027 -0.006635 0.012589 0.003983 -0.011014 0.001056 22H 1s 0.017468 0.005093 -0.006988 0.003391 -0.005420 -0.011940 22H 2s 0.397242 -0.067736 0.140024 0.367807 -0.237675 -0.103743 22H 3s 0.463471 -0.115823 0.208106 0.332376 -0.191075 -0.274457 22H 1pz -0.010514 0.005643 0.000283 -0.006634 0.000836 0.004052 22H 1px 0.013057 0.010251 0.016836 0.014088 0.004358 -0.003403 22H 1py 0.010583 -0.008160 0.020437 0.026045 -0.003366 0.007672 23H 1s -0.003348 -0.000294 -0.008955 -0.000352 -0.023113 0.000623 23H 2s 0.052433 0.005051 -0.514464 0.143073 -0.325230 0.192218 23H 3s -0.190364 -0.083982 -0.671308 0.403491 -0.428701 0.310069 23H 1pz 0.000113 0.016561 -0.009920 0.005988 -0.009738 0.003481 23H 1px 0.001420 -0.001375 0.016692 -0.002207 0.007099 -0.016243 23H 1py -0.005311 -0.017474 0.038053 -0.019046 0.008753 -0.006494 24H 1s 0.001411 -0.017000 -0.004019 -0.005420 -0.007276 -0.001503 24H 2s 0.165485 -0.580471 -0.075163 -0.196632 -0.129505 0.137287 24H 3s -0.020805 -0.953419 -0.113413 0.091491 0.204667 0.352488 24H 1pz -0.010297 0.023535 -0.007160 0.018335 0.006996 0.000249 24H 1px -0.015713 0.021153 0.006076 0.004346 -0.003788 -0.006548 24H 1py -0.000602 -0.021359 0.016373 -0.010342 0.014797 0.004466 25H 1s 0.002469 0.001109 -0.000854 -0.011068 -0.014174 -0.004784 25H 2s -0.012849 -0.244169 0.010059 -0.115731 -0.296680 -0.157152 25H 3s -0.146338 -0.117913 0.130235 0.053053 -0.323683 -0.171995 25H 1pz -0.002302 0.025293 -0.006920 -0.000860 -0.002006 0.010064 25H 1px -0.001202 -0.000168 0.012767 -0.010063 -0.009461 -0.015011 25H 1py 0.010160 -0.005402 0.013243 -0.018044 0.005469 -0.002526 26O 1s -0.005097 -0.006521 0.004665 0.000845 0.003270 -0.006583 26O 2s -0.011253 -0.014424 0.010417 0.002054 0.006761 -0.013585 26O 3s -0.002453 -0.000073 -0.002636 -0.009372 0.011666 -0.018139 26O 4s 0.158694 0.185435 -0.173900 0.024804 -0.120948 0.362098 26O 5s 0.019940 -0.055334 1.150580 0.421735 -0.296943 -1.128280 26O 1pz 0.007217 -0.083316 -0.037921 -0.017177 -0.026279 -0.050486 26O 1px 0.030981 0.036931 0.001840 -0.035423 -0.024724 0.009749 26O 1py -0.053698 0.024847 0.083050 0.023534 0.003506 -0.001934 26O 2pz 0.018616 -0.226536 -0.129940 -0.055905 -0.065570 -0.144044 26O 2px 0.079058 0.066306 -0.084019 -0.115878 0.002826 0.082237 26O 2py -0.142214 0.057697 0.201679 0.066131 -0.026139 0.033325 26O 3pz -0.075990 0.874076 0.309467 0.122079 0.197241 0.669665 26O 3px -0.562380 -0.340732 -0.293893 -0.196815 0.067076 -0.031730 26O 3py 0.577186 -0.070146 -0.854119 -0.579727 0.478919 -0.089126 26O 1dz2 0.002131 -0.001737 0.002055 0.001639 -0.000260 -0.000954 26O 1dxz 0.002755 0.004352 -0.000505 0.001472 -0.000644 0.006904 26O 1dyz -0.000057 0.000124 0.000321 0.002321 -0.000422 0.003934 26O 1dx2y2 -0.003507 -0.002408 0.001526 -0.001452 -0.002044 0.000515 26O 1dxy 0.004092 0.000595 -0.005463 -0.003473 0.003522 0.001930 26O 2dz2 -0.029170 -0.037022 -0.046383 -0.034967 0.006157 0.001248 26O 2dxz -0.002585 -0.020462 -0.005189 -0.000810 -0.008996 -0.011280 26O 2dyz -0.001242 0.001212 0.038666 0.024172 -0.011569 0.001849 26O 2dx2y2 0.007871 0.000093 -0.015979 -0.002341 -0.006808 0.000601 26O 2dxy 0.000848 -0.000815 0.006779 0.010032 -0.018509 -0.002125 26O 1f0 -0.000512 -0.001425 0.000816 -0.000646 0.001246 -0.001257 26O 1f+1 0.001998 0.000985 0.000094 0.001292 -0.001938 -0.001057 26O 1f-1 -0.000261 0.000824 0.000731 0.000868 -0.000207 0.000859 26O 1f+2 0.000935 0.000724 -0.000451 0.000197 -0.000929 0.000724 26O 1f-2 0.000160 0.000754 -0.001461 -0.000090 -0.000931 0.000866 26O 1f+3 0.002191 0.000854 -0.001727 -0.000446 -0.000545 -0.000038 26O 1f-3 0.000425 0.000038 0.000712 0.000829 -0.002411 -0.000507 27O 1s -0.002749 -0.002348 -0.000891 0.005689 0.007924 0.000976 27O 2s -0.006545 -0.003938 -0.001148 0.013911 0.016159 0.002666 27O 3s 0.005068 -0.025896 -0.014920 -0.030660 0.021647 -0.004266 27O 4s 0.059695 0.177433 0.150405 -0.044975 -0.416728 0.027821 27O 5s -0.245789 0.075699 -0.826847 0.171527 1.400438 -0.603314 27O 1pz 0.040937 -0.064810 0.031179 -0.033304 -0.032118 -0.024217 27O 1px -0.003296 0.014671 0.001302 -0.046894 0.000180 -0.045571 27O 1py 0.024106 0.038765 0.047531 -0.030554 -0.063860 -0.001266 27O 2pz 0.085098 -0.169069 0.071889 -0.064467 -0.096040 -0.100251 27O 2px -0.037303 0.002603 0.037104 -0.156682 -0.133630 0.000714 27O 2py 0.052507 0.090685 0.140144 -0.128618 -0.109921 -0.083268 27O 3pz -0.129760 0.623050 0.001453 -0.009126 0.424915 0.460730 27O 3px 0.341457 -0.719741 0.271493 -0.435072 -0.220974 0.447105 27O 3py -0.193736 -0.142423 -0.574286 1.015693 0.376800 0.485912 27O 1dz2 -0.000950 0.001304 -0.003299 0.003829 0.001411 -0.004353 27O 1dxz -0.000061 0.005101 -0.000050 0.000871 -0.001081 0.004209 27O 1dyz 0.001602 0.001111 0.001709 -0.001791 0.001994 -0.001776 27O 1dx2y2 0.002214 -0.004142 0.002236 -0.008740 -0.004144 0.003613 27O 1dxy -0.001173 -0.001734 -0.005478 0.006100 0.006335 0.000629 27O 2dz2 0.006035 -0.030423 0.041685 -0.045194 -0.005303 -0.003643 27O 2dxz -0.002165 -0.017517 0.004647 -0.008467 0.002259 -0.010471 27O 2dyz 0.022911 0.017287 -0.000531 0.007521 0.015334 0.003185 27O 2dx2y2 0.009369 0.023551 0.029373 -0.015766 0.013210 -0.025602 27O 2dxy -0.000143 0.002191 0.002612 -0.006021 -0.011376 0.014463 27O 1f0 0.000092 -0.001390 -0.000243 -0.000249 0.000970 -0.000399 27O 1f+1 0.001378 0.001193 -0.000502 0.001321 0.000878 -0.001482 27O 1f-1 0.000616 -0.000161 0.000042 0.000061 -0.000222 0.000173 27O 1f+2 0.001772 0.000947 -0.000570 -0.000109 -0.000080 0.000487 27O 1f-2 -0.000801 -0.000343 -0.000525 0.000301 -0.000265 0.000395 27O 1f+3 0.002929 0.001451 0.001183 -0.001046 0.000337 -0.002114 27O 1f-3 0.000814 -0.000275 -0.000075 -0.001242 -0.002279 -0.000049 28O 1s -0.000636 -0.006199 0.002970 -0.001973 -0.005597 -0.001068 28O 2s -0.001361 -0.014469 0.006686 -0.006092 -0.011615 -0.001388 28O 3s -0.000621 0.015695 -0.002807 0.038907 -0.009994 -0.011138 28O 4s 0.013389 0.024906 -0.103372 -0.083089 0.286615 0.140876 28O 5s 0.104023 0.961919 0.533347 -0.417533 -1.223982 -0.834490 28O 1pz 0.056544 0.018376 0.045297 0.059016 -0.022088 -0.057862 28O 1px 0.029670 -0.041857 0.016136 0.022506 0.018638 -0.001333 28O 1py -0.121920 -0.064160 -0.050962 0.016725 -0.045748 0.011714 28O 2pz 0.139573 0.040548 0.091451 0.153280 0.112188 -0.056832 28O 2px 0.078608 -0.042049 0.059561 -0.010167 -0.036034 -0.124290 28O 2py -0.322710 -0.183002 -0.115279 0.001614 -0.120398 0.075337 28O 3pz -0.309334 -0.273248 -0.502359 0.659854 -0.288729 0.599333 28O 3px -0.227397 0.538841 0.190724 -0.766329 -0.371157 -0.066534 28O 3py 1.216955 0.581386 0.075791 0.203383 0.347882 -0.256478 28O 1dz2 0.000372 0.000469 -0.002895 -0.000229 0.001282 0.003727 28O 1dxz -0.002604 0.002153 0.003337 -0.009014 0.000693 -0.008500 28O 1dyz 0.002756 -0.001337 -0.000548 -0.000714 0.001987 0.003221 28O 1dx2y2 0.002696 -0.003166 -0.001871 0.005282 0.001677 0.001290 28O 1dxy -0.006856 -0.001534 0.002476 0.001676 -0.001192 -0.000525 28O 2dz2 0.010370 0.021033 0.024639 0.012277 0.017287 -0.021832 28O 2dxz -0.008084 -0.000316 0.007901 0.033995 0.050809 0.008277 28O 2dyz -0.018562 -0.004032 0.013132 -0.002333 0.001159 0.002515 28O 2dx2y2 0.016139 0.031878 0.021009 -0.019337 0.007561 -0.009585 28O 2dxy -0.003064 0.003503 0.002807 0.001261 0.014755 0.009056 28O 1f0 0.001547 0.000903 -0.000950 -0.000187 -0.002582 -0.000591 28O 1f+1 0.000911 -0.000538 0.000069 -0.001623 -0.001671 -0.000976 28O 1f-1 0.000454 -0.000216 0.000190 0.000413 0.001033 -0.000042 28O 1f+2 -0.001761 -0.001322 0.000748 0.002576 0.002865 0.001009 28O 1f-2 -0.001357 -0.000408 0.001164 0.000057 0.000845 0.000001 28O 1f+3 -0.001078 -0.001776 0.000401 0.001098 0.001878 0.000366 28O 1f-3 -0.000625 0.000028 -0.000146 0.000493 -0.000886 -0.000481 29O 1s -0.002157 0.000454 0.000601 -0.000281 -0.006254 -0.000602 29O 2s -0.004389 0.002095 0.001464 -0.001210 -0.014255 -0.001290 29O 3s -0.007547 -0.019773 -0.002872 0.010389 0.005595 -0.000993 29O 4s 0.140325 0.045819 -0.037950 -0.005787 0.253966 0.040236 29O 5s -0.469100 0.088654 0.265631 -0.176764 -0.808433 -0.179074 29O 1pz -0.046218 -0.038945 -0.005869 -0.025621 0.002823 -0.109521 29O 1px 0.039634 0.005573 -0.046540 0.002432 0.018687 -0.016011 29O 1py -0.019080 0.042742 0.032703 -0.040891 -0.050539 -0.002838 29O 2pz -0.100946 -0.084073 -0.020680 -0.087560 0.001459 -0.255870 29O 2px 0.081530 -0.017801 -0.102331 0.016798 0.048302 -0.036585 29O 2py -0.062358 0.109715 0.081144 -0.088061 -0.120235 -0.012482 29O 3pz 0.367549 0.311329 0.189533 0.477756 -0.018251 1.215884 29O 3px -0.208703 0.349803 0.401840 -0.151710 -0.229717 0.244365 29O 3py 0.302832 -0.482387 -0.295302 0.325918 0.523133 0.040948 29O 1dz2 0.001734 -0.000660 -0.000351 0.001087 0.001190 0.004136 29O 1dxz -0.000603 -0.002515 -0.001463 0.002119 0.001731 -0.002486 29O 1dyz 0.002002 0.002144 0.001444 0.001671 -0.000182 0.007281 29O 1dx2y2 -0.000917 0.002065 0.000743 -0.000943 -0.000852 -0.001024 29O 1dxy -0.000236 0.002089 0.002850 -0.001652 -0.002460 0.002231 29O 2dz2 -0.005573 -0.014679 -0.005736 -0.009017 0.008188 -0.042485 29O 2dxz 0.008238 0.017777 0.006657 0.016676 0.002324 0.055036 29O 2dyz -0.010094 0.000858 0.005875 -0.012404 -0.013264 -0.011144 29O 2dx2y2 -0.006070 -0.005852 0.006498 0.008515 -0.014667 0.016064 29O 2dxy 0.022356 -0.020819 -0.034598 0.011453 0.046167 0.001818 29O 1f0 0.000569 -0.000556 -0.000751 0.000745 0.001624 0.000336 29O 1f+1 0.000194 0.000639 0.000168 0.000063 -0.001076 0.001616 29O 1f-1 0.001449 -0.000243 -0.000961 0.001142 0.001749 0.001860 29O 1f+2 -0.000523 -0.000276 0.000047 -0.000371 -0.000693 -0.001884 29O 1f-2 0.000499 -0.001122 -0.001547 -0.000226 0.002029 -0.001409 29O 1f+3 -0.000319 0.000413 0.000529 0.000200 -0.001538 0.000846 29O 1f-3 -0.000107 0.000474 -0.000386 0.000336 -0.000196 0.000705 30O 1s -0.001032 -0.007201 -0.004394 0.005107 0.000408 -0.004364 30O 2s -0.002717 -0.017374 -0.009683 0.011582 0.001136 -0.008980 30O 3s 0.006169 0.033118 0.001446 0.000343 -0.005769 -0.014352 30O 4s -0.034612 0.009380 0.162359 -0.079774 -0.018226 0.257581 30O 5s 0.300686 0.384216 -0.778424 -1.242185 0.271254 -0.719167 30O 1pz 0.017514 0.027948 -0.098417 0.056198 -0.047869 -0.033732 30O 1px 0.005834 -0.030911 0.005500 0.036871 -0.000319 -0.033363 30O 1py -0.018972 0.023668 -0.039379 0.014428 -0.055951 0.003995 30O 2pz -0.021982 0.080748 -0.177898 0.215031 -0.111268 -0.139938 30O 2px 0.071726 -0.110491 -0.046651 0.042809 0.039159 -0.117088 30O 2py -0.029592 0.041350 -0.169056 0.012104 -0.163297 -0.022678 30O 3pz 0.166482 0.094525 0.565150 -0.084668 0.189802 0.710900 30O 3px -0.274146 0.314148 -0.188948 -1.024866 -0.014282 0.457137 30O 3py 0.004140 -0.425045 0.419893 -0.443885 0.916335 0.064810 30O 1dz2 0.000413 0.000961 0.001426 -0.002619 0.002626 0.001606 30O 1dxz -0.001508 -0.001583 -0.001862 -0.004857 0.000028 -0.003338 30O 1dyz 0.000364 0.000449 -0.003018 -0.002054 0.004016 -0.001580 30O 1dx2y2 0.001408 -0.000415 -0.001001 0.004067 0.003242 -0.003892 30O 1dxy 0.001924 0.002161 -0.000047 0.002283 -0.006845 -0.000687 30O 2dz2 -0.008226 -0.001217 -0.016762 0.036253 -0.002753 -0.016413 30O 2dxz -0.018951 0.007716 -0.000466 0.039210 0.005120 -0.009319 30O 2dyz 0.017882 0.001446 0.021726 0.013934 -0.012973 0.013879 30O 2dx2y2 -0.018164 0.003873 -0.008745 0.009897 -0.010354 -0.011558 30O 2dxy 0.014682 -0.011456 -0.018979 -0.024653 -0.004102 -0.002766 30O 1f0 0.002738 -0.000238 0.000178 -0.001800 -0.000356 -0.001099 30O 1f+1 0.000994 -0.000779 -0.000711 0.000219 -0.001721 -0.000456 30O 1f-1 -0.000361 -0.000591 -0.000057 -0.000379 0.000136 -0.000280 30O 1f+2 -0.001275 -0.000043 0.000104 0.002437 0.001183 -0.000411 30O 1f-2 -0.001216 0.001085 0.001444 0.001507 -0.000053 -0.000181 30O 1f+3 -0.000931 -0.000787 -0.001236 0.001085 0.001633 0.000658 30O 1f-3 -0.002861 0.000002 0.000749 0.002331 -0.000662 0.000567 31O 1s -0.001073 -0.007177 0.004623 0.004332 -0.000311 0.004432 31O 2s -0.002339 -0.017402 0.010085 0.009885 -0.000887 0.009125 31O 3s 0.003176 0.033711 0.001561 0.000165 0.005105 0.014403 31O 4s 0.035212 -0.001866 -0.173037 -0.051336 0.016436 -0.257825 31O 5s -0.183201 0.446572 0.617391 -1.346526 -0.248164 0.685544 31O 1pz 0.006961 -0.026993 -0.106657 -0.042993 -0.046974 -0.032848 31O 1px 0.018862 0.027499 -0.002065 -0.036631 0.001733 -0.033598 31O 1py -0.027537 -0.013544 -0.039692 -0.009145 -0.055857 0.003604 31O 2pz -0.049051 -0.056141 -0.209625 -0.187918 -0.107415 -0.138199 31O 2px 0.107205 0.084925 -0.052006 -0.036040 0.040586 -0.116457 31O 2py -0.045800 -0.023547 -0.167638 0.009908 -0.162659 -0.024223 31O 3pz 0.139082 -0.189030 0.548330 -0.000750 0.197231 0.687826 31O 3px -0.364202 -0.219636 -0.040720 1.039246 -0.030136 0.465809 31O 3py 0.136770 0.400723 0.518778 0.391908 0.899393 0.083167 31O 1dz2 -0.000097 0.001108 -0.001756 -0.002415 -0.002643 -0.001605 31O 1dxz 0.000942 -0.002173 0.000886 -0.005086 0.000162 0.003213 31O 1dyz -0.000155 0.000389 0.002579 -0.002490 -0.003942 0.001571 31O 1dx2y2 -0.001581 -0.000062 0.001664 0.003751 -0.003324 0.003857 31O 1dxy -0.001232 0.002809 0.000686 0.002378 0.006765 0.000735 31O 2dz2 0.007817 -0.004554 0.021986 0.033269 0.001964 0.017056 31O 2dxz 0.020725 0.000010 0.006227 0.038092 -0.005923 0.009666 31O 2dyz -0.016287 0.008644 -0.019680 0.017419 0.012942 -0.013280 31O 2dx2y2 0.019931 -0.002616 0.009204 0.008311 0.010204 0.011807 31O 2dxy -0.017429 -0.005899 0.015222 -0.026114 0.004226 0.002384 31O 1f0 0.002644 -0.000697 0.000453 0.001683 -0.000401 -0.001047 31O 1f+1 0.001191 0.000394 -0.000722 -0.000176 -0.001748 -0.000475 31O 1f-1 -0.000136 0.000703 0.000049 0.000385 0.000100 -0.000236 31O 1f+2 -0.001206 0.000496 -0.000196 -0.002331 0.001210 -0.000391 31O 1f-2 -0.001421 -0.000668 0.001121 -0.001632 0.000005 -0.000214 31O 1f+3 -0.000623 0.001092 -0.001318 -0.000832 0.001623 0.000651 31O 1f-3 -0.002716 0.000919 0.000457 -0.002312 -0.000652 0.000511 32O 1s 0.002041 0.000217 -0.000548 -0.000046 0.006262 0.000527 32O 2s 0.004522 0.001631 -0.001391 -0.000664 0.014273 0.001120 32O 3s 0.000574 -0.020955 0.003667 0.009902 -0.005611 0.001089 32O 4s -0.112301 0.067200 0.036175 -0.015257 -0.254440 -0.036889 32O 5s 0.465061 -0.005251 -0.285146 -0.138682 0.811381 0.166424 32O 1pz -0.036674 0.051697 0.004059 0.028593 -0.000473 -0.108633 32O 1px 0.035673 -0.015388 -0.045751 0.003232 0.018106 -0.015982 32O 1py -0.033764 -0.036550 0.036856 0.037468 -0.049876 -0.004421 32O 2pz -0.079933 0.111750 0.005612 0.095325 -0.006428 -0.253311 32O 2px 0.084460 -0.002930 -0.101612 -0.005193 0.046650 -0.035695 32O 2py -0.098940 -0.088718 0.089428 0.079814 -0.118819 -0.016109 32O 3pz 0.291992 -0.419186 0.058448 -0.524943 0.017572 1.204673 32O 3px -0.310520 -0.291442 0.396214 0.102979 -0.218976 0.240538 32O 3py 0.451855 0.380344 -0.318651 -0.299338 0.516943 0.062018 32O 1dz2 -0.002029 -0.000273 0.000776 0.001094 -0.001354 -0.003765 32O 1dxz -0.000009 -0.002732 0.001519 0.001824 -0.001636 0.002629 32O 1dyz -0.001647 0.002728 -0.000693 0.002096 -0.000136 -0.007329 32O 1dx2y2 0.001654 0.001641 -0.000822 -0.000933 0.000848 0.001181 32O 1dxy 0.000816 0.002031 -0.002817 -0.001224 0.002331 -0.002179 32O 2dz2 0.000862 -0.016255 0.003152 -0.009774 -0.007524 0.041893 32O 2dxz -0.002555 0.020086 -0.002883 0.018742 -0.002511 -0.055373 32O 2dyz 0.010193 -0.002461 -0.008210 -0.011791 0.013595 0.011333 32O 2dx2y2 0.004604 -0.006664 -0.005425 0.009265 0.014874 -0.015803 32O 2dxy -0.027577 -0.014477 0.034777 0.006955 -0.046088 -0.001888 32O 1f0 0.000561 0.000477 -0.000758 -0.000577 0.001522 0.000191 32O 1f+1 -0.000029 -0.000774 0.000179 -0.000138 -0.001163 0.001679 32O 1f-1 0.001447 -0.000111 -0.001186 -0.001060 0.001860 0.001765 32O 1f+2 -0.000475 0.000383 0.000206 0.000400 -0.000818 -0.001901 32O 1f-2 0.000797 0.001036 -0.001426 0.000486 0.002007 -0.001510 32O 1f+3 -0.000396 -0.000324 0.000409 -0.000283 -0.001483 0.000794 32O 1f-3 -0.000263 -0.000445 -0.000448 -0.000278 -0.000185 0.000747 33O 1s -0.001331 -0.005904 -0.003403 -0.001404 0.005833 0.001049 33O 2s -0.003325 -0.013771 -0.007853 -0.004789 0.012193 0.001339 33O 3s 0.007963 0.014618 0.007445 0.038007 0.008786 0.011310 33O 4s -0.014805 0.021727 0.095112 -0.099283 -0.286338 -0.141473 33O 5s 0.192019 0.981745 -0.556270 -0.346489 1.213504 0.846566 33O 1pz 0.045391 -0.037470 0.035821 -0.064493 -0.020742 -0.059278 33O 1px 0.038586 0.030738 0.016441 -0.025642 0.017252 -0.001059 33O 1py -0.096855 0.101145 -0.048126 -0.008090 -0.047207 0.010359 33O 2pz 0.112397 -0.082332 0.068143 -0.164246 0.116455 -0.060159 33O 2px 0.089083 0.012999 0.061395 0.001795 -0.038834 -0.124475 33O 2py -0.249720 0.280421 -0.103007 0.017182 -0.123994 0.073286 33O 3pz -0.261109 0.369454 -0.545025 -0.598775 -0.293526 0.608601 33O 3px -0.348625 -0.461270 0.262548 0.743254 -0.368138 -0.065671 33O 3py 0.952199 -0.941573 0.025999 -0.235832 0.358630 -0.246730 33O 1dz2 -0.000162 0.000431 0.002791 -0.000600 -0.001274 -0.003655 33O 1dxz 0.002283 0.001440 -0.003993 -0.008788 -0.000722 0.008468 33O 1dyz -0.003038 -0.000416 0.000334 -0.000651 -0.001923 -0.003289 33O 1dx2y2 -0.003081 -0.002339 0.002225 0.005161 -0.001624 -0.001256 33O 1dxy 0.005956 -0.003558 -0.002219 0.001764 0.001169 0.000672 33O 2dz2 -0.003071 0.023642 -0.021814 0.014615 -0.017840 0.022362 33O 2dxz 0.008383 -0.003528 -0.002913 0.033936 -0.051954 -0.008504 33O 2dyz 0.015750 -0.009410 -0.013621 -0.000894 -0.001037 -0.002323 33O 2dx2y2 -0.006713 0.036258 -0.021326 -0.016976 -0.007794 0.009493 33O 2dxy 0.003336 0.002121 -0.001896 0.001507 -0.015409 -0.008838 33O 1f0 0.001167 -0.001328 -0.000930 0.000263 -0.002590 -0.000609 33O 1f+1 0.001043 0.000164 0.000311 0.001537 -0.001727 -0.000966 33O 1f-1 0.000464 0.000060 0.000157 -0.000472 0.001022 -0.000007 33O 1f+2 -0.001304 0.001797 0.000422 -0.002601 0.002917 0.001005 33O 1f-2 -0.001138 0.000792 0.001137 -0.000157 0.000831 -0.000023 33O 1f+3 -0.000515 0.002017 0.000338 -0.001140 0.001888 0.000373 33O 1f-3 -0.000657 0.000176 -0.000167 -0.000441 -0.000917 -0.000504 34O 1s 0.001841 -0.003461 0.001623 0.005413 -0.008126 -0.000878 34O 2s 0.004999 -0.006568 0.002966 0.013374 -0.016638 -0.002409 34O 3s -0.014845 -0.023766 0.010316 -0.031812 -0.020965 0.003485 34O 4s 0.005661 0.204555 -0.151586 -0.023058 0.419857 -0.028381 34O 5s 0.264561 -0.046464 0.852592 0.031665 -1.414715 0.611571 34O 1pz 0.063314 0.046538 0.035154 0.027853 -0.033031 -0.024029 34O 1px -0.009453 -0.013191 0.009656 0.047338 -0.001596 -0.044321 34O 1py 0.009732 -0.046744 0.051356 0.022552 -0.065859 -0.000221 34O 2pz 0.141603 0.127986 0.081866 0.052576 -0.099290 -0.101100 34O 2px -0.035270 0.004787 0.060850 0.149842 -0.138416 0.003483 34O 2py 0.022316 -0.107452 0.155161 0.107218 -0.115419 -0.078597 34O 3pz -0.333373 -0.543440 -0.013293 0.010034 0.432894 0.468037 34O 3px 0.593459 0.572086 0.333580 0.366792 -0.221809 0.459237 34O 3py -0.174620 0.206179 -0.694813 -0.921220 0.401423 0.448879 34O 1dz2 0.001571 0.000765 0.003646 0.003251 -0.001383 0.004429 34O 1dxz 0.001866 0.004949 0.000254 0.000942 0.001058 -0.004139 34O 1dyz -0.001202 0.001538 -0.001907 -0.001540 -0.001946 0.001715 34O 1dx2y2 -0.003829 -0.003110 -0.003299 -0.008132 0.004144 -0.003720 34O 1dxy 0.000827 -0.002253 0.006027 0.005154 -0.006409 -0.000402 34O 2dz2 -0.017555 -0.025055 -0.048539 -0.038671 0.007179 0.002945 34O 2dxz -0.004420 -0.016997 -0.005946 -0.008168 -0.002076 0.010697 34O 2dyz -0.016185 0.022640 0.002588 0.008098 -0.016156 -0.003244 34O 2dx2y2 -0.001265 0.026492 -0.030331 -0.011997 -0.012889 0.025427 34O 2dxy 0.001093 0.001935 -0.004222 -0.005051 0.011919 -0.014503 34O 1f0 0.000597 0.001348 -0.000191 0.000283 0.000981 -0.000400 34O 1f+1 0.000831 -0.001532 -0.000735 -0.001231 0.000940 -0.001530 34O 1f-1 0.000635 -0.000039 0.000021 -0.000110 -0.000219 0.000186 34O 1f+2 0.001327 -0.001508 -0.000590 0.000099 -0.000060 0.000475 34O 1f-2 -0.000697 0.000594 -0.000504 -0.000219 -0.000284 0.000389 34O 1f+3 0.002275 -0.002356 0.001209 0.000812 0.000357 -0.002103 34O 1f-3 0.000914 -0.000017 0.000104 0.001169 -0.002352 0.000015 35O 1s 0.002562 -0.007716 -0.004501 0.001292 -0.003344 0.006595 35O 2s 0.005578 -0.016991 -0.009945 0.003066 -0.006964 0.013590 35O 3s 0.003248 -0.001969 -0.000232 -0.010041 -0.010784 0.018448 35O 4s -0.092615 0.228877 0.182331 0.007283 0.120030 -0.363282 35O 5s 0.029990 -0.051741 -1.098011 0.588613 0.285914 1.137796 35O 1pz 0.033146 0.077278 -0.030144 0.020875 -0.028275 -0.049428 35O 1px 0.020746 -0.044685 0.003233 0.033026 -0.022877 0.010251 35O 1py -0.058952 -0.008993 0.078501 -0.031614 0.002651 -0.002880 35O 2pz 0.092353 0.209116 -0.111108 0.070066 -0.069718 -0.140746 35O 2px 0.061390 -0.087413 -0.071417 0.123267 0.003612 0.083840 35O 2py -0.152143 -0.019460 0.187068 -0.085158 -0.028420 0.032159 35O 3pz -0.379572 -0.787964 0.280945 -0.155690 0.202865 0.653339 35O 3px -0.394288 0.495262 -0.242247 0.270421 0.040516 -0.035419 35O 3py 0.578464 -0.073430 -0.742328 0.679688 0.472826 -0.083896 35O 1dz2 -0.002499 -0.000896 -0.001729 0.002093 0.000167 0.000895 35O 1dxz -0.001066 0.004921 0.000759 0.001559 0.000607 -0.006858 35O 1dyz 0.000115 0.000120 0.000042 0.002394 0.000396 -0.003853 35O 1dx2y2 0.002374 -0.003189 -0.001948 -0.001382 0.002298 -0.000517 35O 1dxy -0.003890 0.001673 0.004872 -0.004204 -0.003431 -0.001938 35O 2dz2 0.014359 -0.045101 0.039377 -0.041582 -0.005099 -0.001467 35O 2dxz -0.002998 -0.021020 0.003177 -0.001224 0.009429 0.011270 35O 2dyz 0.002730 0.002843 -0.034842 0.028959 0.011443 -0.001580 35O 2dx2y2 -0.006691 0.001538 0.015291 -0.003755 0.006207 -0.000578 35O 2dxy 0.000670 -0.000765 -0.005978 0.011592 0.018387 0.002191 35O 1f0 0.000008 0.001506 0.000907 0.000572 0.001240 -0.001255 35O 1f+1 0.001451 -0.001500 -0.000089 -0.001361 -0.001889 -0.001083 35O 1f-1 -0.000573 -0.000718 0.000591 -0.000959 -0.000176 0.000852 35O 1f+2 0.000636 -0.001000 -0.000492 -0.000182 -0.000925 0.000708 35O 1f-2 -0.000154 -0.000720 -0.001373 0.000271 -0.000956 0.000860 35O 1f+3 0.001743 -0.001424 -0.001669 0.000624 -0.000509 -0.000045 35O 1f-3 0.000326 -0.000145 0.000576 -0.001014 -0.002383 -0.000471 234 235 236 237 238 239 0.71458 0.72819 0.74234 0.75049 0.75108 0.76647 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s -0.002247 -0.000710 0.000934 -0.000890 0.004317 -0.003559 0Rh 2s 0.004539 0.003047 -0.002422 0.003049 -0.010523 0.013737 0Rh 3s -0.010309 -0.002259 0.003953 -0.003310 0.018702 -0.012295 0Rh 4s -0.018732 -0.013959 0.010465 -0.013713 0.045376 -0.062511 0Rh 5s -0.020968 0.014763 0.001887 0.008626 0.013163 0.053956 0Rh 6s 0.191181 0.015647 -0.069784 0.039741 -0.301268 0.124899 0Rh 7s -0.935514 -0.034894 0.255129 -0.197874 1.861766 -0.662163 0Rh 8s -0.592151 -0.260370 1.441859 -0.193910 -0.822994 -1.375683 0Rh 1pz -0.000636 -0.003792 0.002017 -0.000061 -0.002887 -0.005635 0Rh 1px 0.001596 0.000692 -0.015237 -0.002207 0.008310 0.011502 0Rh 1py 0.001338 -0.001733 0.000868 0.009654 0.006028 -0.000342 0Rh 2pz 0.002265 0.013122 -0.006194 0.000411 0.009946 0.019551 0Rh 2px -0.005287 -0.002457 0.052273 0.007569 -0.028637 -0.039640 0Rh 2py -0.004598 0.006575 -0.003154 -0.033269 -0.020930 0.001194 0Rh 3pz -0.003184 -0.011687 -0.010045 -0.004384 -0.007974 -0.018480 0Rh 3px -0.000170 0.003730 -0.037109 -0.005015 0.023101 0.032453 0Rh 3py 0.003504 -0.017217 0.005607 0.026267 0.019741 -0.001002 0Rh 4pz 0.000551 -0.019573 0.070606 0.015650 -0.017553 -0.023005 0Rh 4px 0.029175 -0.005058 -0.117030 -0.020422 0.050239 0.063400 0Rh 4py 0.008957 0.034713 -0.005431 0.065883 0.027749 -0.003873 0Rh 5pz -0.002753 -0.002208 -0.095880 -0.030852 -0.011924 -0.039487 0Rh 5px -0.057271 0.037545 0.063400 0.033648 0.026528 0.080705 0Rh 5py -0.001884 -0.072405 0.009669 -0.040033 0.015628 0.018604 0Rh 6pz -0.597134 -0.289240 -2.057898 -0.484127 0.977893 0.254597 0Rh 6px 0.603530 -0.166571 -0.375690 -0.385166 -2.111342 -1.603044 0Rh 6py 0.326142 -1.514692 0.588742 0.613191 -0.449961 -0.000647 0Rh 1dz2 -0.054976 -0.016532 -0.005798 0.000021 0.006138 -0.014752 0Rh 1dxz -0.008552 -0.000683 0.011125 -0.001848 0.007786 -0.016860 0Rh 1dyz 0.028271 0.001224 0.006063 0.001273 0.005249 0.000641 0Rh 1dx2y2 -0.032592 -0.003642 -0.003172 0.010723 -0.019958 0.027344 0Rh 1dxy -0.003992 0.006965 -0.007970 -0.006758 -0.014495 0.000594 0Rh 2dz2 0.010197 0.002355 0.001265 -0.000414 0.000773 0.001382 0Rh 2dxz 0.001132 -0.000654 -0.001968 -0.000187 0.001323 0.000743 0Rh 2dyz -0.005355 -0.003279 -0.001513 -0.000166 -0.000093 -0.000255 0Rh 2dx2y2 0.006755 0.001288 0.000540 -0.001126 -0.000743 -0.000970 0Rh 2dxy 0.001257 -0.001867 0.001474 0.002433 0.001271 0.001604 0Rh 3dz2 0.066247 0.023033 0.006189 0.001692 -0.015578 0.023887 0Rh 3dxz 0.012361 0.004220 -0.013821 0.004582 -0.021305 0.031021 0Rh 3dyz -0.033625 0.011271 -0.005690 -0.001852 -0.010070 -0.000271 0Rh 3dx2y2 0.036266 0.001743 0.004161 -0.016762 0.043235 -0.051148 0Rh 3dxy 0.002636 -0.005943 0.009712 0.003172 0.023725 -0.008163 0Rh 4dz2 0.195102 0.046966 0.024123 -0.005965 0.007328 0.029187 0Rh 4dxz 0.023555 -0.009976 -0.040009 -0.002713 0.013284 0.020709 0Rh 4dyz -0.101440 -0.046798 -0.027266 -0.003579 -0.004945 -0.005300 0Rh 4dx2y2 0.125493 0.023231 0.009526 -0.024726 0.006389 -0.032614 0Rh 4dxy 0.021145 -0.034302 0.028725 0.041770 0.031000 0.024852 0Rh 5dz2 -0.373407 -0.003591 -0.057562 0.023298 -0.136909 0.040435 0Rh 5dxz -0.025088 0.071300 0.125549 0.053243 -0.171557 0.116036 0Rh 5dyz 0.177584 0.292786 0.088420 -0.005841 -0.071547 0.022153 0Rh 5dx2y2 -0.241275 -0.082107 -0.020269 -0.002953 0.200902 -0.173409 0Rh 5dxy -0.056097 0.151929 -0.068863 -0.151775 0.000533 -0.147859 0Rh 1f0 0.004958 -0.007706 0.007730 0.002679 -0.002915 0.006247 0Rh 1f+1 0.001914 0.001645 -0.010214 -0.002873 -0.000373 -0.004241 0Rh 1f-1 -0.003321 -0.008599 -0.003777 -0.001717 0.003676 -0.003130 0Rh 1f+2 0.000561 -0.006432 -0.011109 -0.005487 0.006517 -0.010897 0Rh 1f-2 0.002693 0.013563 -0.001940 -0.001397 0.001488 -0.003005 0Rh 1f+3 0.003780 -0.006446 -0.018673 -0.006766 0.006316 -0.013125 0Rh 1f-3 0.004043 -0.013490 -0.007176 0.002986 -0.003109 0.003312 1Rh 1s 0.002260 -0.000761 0.000679 -0.000475 -0.004378 -0.003628 1Rh 2s -0.004596 0.003137 -0.001845 0.002012 0.010610 0.014027 1Rh 3s 0.010348 -0.002502 0.002823 -0.001528 -0.019003 -0.012516 1Rh 4s 0.018992 -0.014328 0.008004 -0.009222 -0.045707 -0.063861 1Rh 5s 0.020671 0.014175 0.000585 0.009515 -0.014215 0.055542 1Rh 6s -0.191365 0.019950 -0.051170 0.011672 0.307863 0.125527 1Rh 7s 0.933751 -0.052506 0.144359 -0.018681 -1.887925 -0.693609 1Rh 8s 0.596632 -0.270900 1.479393 -0.283532 0.699802 -1.297597 1Rh 1pz -0.000741 0.003935 -0.002239 0.000289 -0.002564 0.005821 1Rh 1px 0.001494 -0.000566 0.015746 0.001276 0.007358 -0.010768 1Rh 1py 0.001429 0.001519 -0.000635 -0.010276 0.004808 0.001554 1Rh 2pz 0.002639 -0.013611 0.006963 -0.001196 0.008874 -0.020149 1Rh 2px -0.004932 0.002015 -0.054025 -0.004362 -0.025386 0.037139 1Rh 2py -0.004901 -0.005837 0.002342 0.035428 -0.016717 -0.005323 1Rh 3pz -0.003764 0.011996 0.009372 0.004967 -0.007918 0.018079 1Rh 3px -0.000499 -0.003250 0.038513 0.002515 0.021181 -0.031076 1Rh 3py 0.003530 0.016673 -0.004778 -0.028291 0.016190 0.003318 1Rh 4pz 0.000992 0.020839 -0.071763 -0.014090 -0.012291 0.027707 1Rh 4px 0.028631 0.005347 0.120150 0.014389 0.041404 -0.056193 1Rh 4py 0.010403 -0.036307 0.006237 -0.068779 0.020309 0.015726 1Rh 5pz -0.004885 0.001188 0.094775 0.031025 -0.018634 0.031179 1Rh 5px -0.056909 -0.036072 -0.062055 -0.035284 0.033127 -0.087541 1Rh 5py -0.003733 0.072920 -0.008455 0.037960 0.018952 -0.023871 1Rh 6pz -0.608742 0.276274 2.119957 0.451364 0.926939 -0.274566 1Rh 6px 0.598560 0.120322 0.251219 0.602652 -2.088842 1.627248 1Rh 6py 0.309497 1.557975 -0.599820 -0.525160 -0.536315 -0.549122 1Rh 1dz2 0.055747 -0.015698 -0.005320 0.000891 -0.005596 -0.010826 1Rh 1dxz 0.008818 -0.000696 0.010571 -0.000609 -0.008236 -0.019054 1Rh 1dyz -0.028634 0.000772 0.005264 0.001760 -0.005486 -0.001687 1Rh 1dx2y2 0.033009 -0.003031 -0.001526 0.008722 0.020741 0.030982 1Rh 1dxy 0.004081 0.006997 -0.007001 -0.008244 0.013932 -0.000987 1Rh 2dz2 -0.010336 0.002149 0.001038 -0.000375 -0.000874 0.000632 1Rh 2dxz -0.001176 -0.000702 -0.002067 -0.000161 -0.001214 0.001129 1Rh 2dyz 0.005452 -0.003184 -0.001408 -0.000183 0.000179 0.000396 1Rh 2dx2y2 -0.006857 0.001290 0.000551 -0.001209 0.000528 -0.001549 1Rh 2dxy -0.001283 -0.001862 0.001397 0.002531 -0.001102 0.002408 1Rh 3dz2 -0.067194 0.022241 0.006196 -0.000213 0.014919 0.019153 1Rh 3dxz -0.012709 0.004454 -0.012289 0.001977 0.021739 0.033791 1Rh 3dyz 0.033941 0.011771 -0.004542 -0.002745 0.010186 0.001591 1Rh 3dx2y2 -0.036667 0.000513 0.000809 -0.012391 -0.043890 -0.056028 1Rh 3dxy -0.002708 -0.006033 0.008091 0.005736 -0.023320 -0.008381 1Rh 4dz2 -0.197773 0.043248 0.020322 -0.006062 -0.009207 0.015379 1Rh 4dxz -0.024338 -0.010717 -0.041022 -0.003278 -0.011217 0.028081 1Rh 4dyz 0.103126 -0.045053 -0.025103 -0.004238 0.006333 0.007263 1Rh 4dx2y2 -0.127320 0.022770 0.008331 -0.024229 -0.010211 -0.043746 1Rh 4dxy -0.021565 -0.034181 0.026806 0.044499 -0.028042 0.037745 1Rh 5dz2 0.377795 0.006254 -0.042024 0.011562 0.138360 0.055728 1Rh 5dxz 0.025010 0.075562 0.137896 0.040624 0.163168 0.103977 1Rh 5dyz -0.182409 0.288720 0.088031 -0.009278 0.066194 -0.045997 1Rh 5dx2y2 0.245873 -0.087854 -0.033990 0.018551 -0.187544 -0.164507 1Rh 5dxy 0.056623 0.150593 -0.070084 -0.148254 -0.009665 -0.211735 1Rh 1f0 0.004948 0.007824 -0.007753 -0.002407 -0.002151 -0.006683 1Rh 1f+1 0.001926 -0.001634 0.010244 0.002914 -0.001246 0.004160 1Rh 1f-1 -0.003434 0.008653 0.003983 0.001444 0.003501 0.002092 1Rh 1f+2 0.000456 0.006583 0.011501 0.004793 0.005482 0.010986 1Rh 1f-2 0.002691 -0.013557 0.002021 0.001383 0.001042 0.001881 1Rh 1f+3 0.003513 0.006583 0.019123 0.006219 0.004900 0.013896 1Rh 1f-3 0.003942 0.013624 0.007081 -0.002737 -0.004139 -0.002560 2C 1s 0.001934 0.001345 0.001221 -0.000419 -0.000928 -0.000091 2C 2s 0.005191 0.004725 0.004946 -0.001531 -0.002806 -0.002960 2C 3s -0.003639 -0.004997 -0.081809 0.017912 0.014755 0.138340 2C 4s -0.002282 -0.209705 0.269439 -0.083501 -0.141383 -0.631190 2C 5s -1.886108 -3.179786 -0.415245 1.090863 1.710284 0.641638 2C 1pz 0.007606 -0.042859 -0.026596 0.018271 0.001190 0.025004 2C 1px -0.012070 -0.001887 -0.005739 0.012781 0.013606 -0.006187 2C 1py -0.018249 -0.029012 -0.009409 -0.017778 0.004655 0.020476 2C 2pz 0.095045 -0.224102 0.071174 0.070312 -0.002027 -0.173548 2C 2px -0.084842 0.136132 0.114920 0.019038 0.075862 -0.182316 2C 2py -0.239286 -0.117341 0.064893 -0.143687 0.012150 -0.083401 2C 3pz 0.005906 -1.209847 -0.366727 -0.061738 0.419194 0.232661 2C 3px -0.215820 0.647265 0.753584 -0.195447 -0.254808 -0.309150 2C 3py -0.783015 -0.340869 -0.264122 0.738423 0.100858 0.191099 2C 1dz2 -0.001158 -0.001708 0.002338 -0.004587 0.001519 -0.000674 2C 1dxz 0.002509 -0.001753 -0.000266 -0.004097 -0.002317 -0.000654 2C 1dyz -0.000330 -0.004100 -0.000667 0.003811 0.000648 -0.001770 2C 1dx2y2 0.002242 -0.004285 -0.001136 -0.004271 0.001132 0.001575 2C 1dxy -0.001862 -0.001257 -0.003114 -0.000073 -0.001696 -0.000078 2C 2dz2 0.029735 -0.163164 -0.068299 -0.244660 0.091632 0.036112 2C 2dxz -0.128158 0.062717 0.132551 0.026264 -0.091124 0.161769 2C 2dyz -0.093701 0.083881 0.046281 0.127217 -0.027233 -0.065421 2C 2dx2y2 -0.174108 0.206981 0.170444 -0.140324 -0.057132 -0.083032 2C 2dxy 0.217518 0.042200 0.210181 -0.079338 -0.040016 0.011369 2C 1f0 -0.011150 -0.000046 -0.001932 -0.004426 0.000127 -0.004244 2C 1f+1 0.003429 0.001135 0.003405 0.001098 0.002615 -0.000938 2C 1f-1 0.002077 -0.006913 0.001920 0.000067 -0.000492 -0.005001 2C 1f+2 0.003262 0.004618 0.000161 -0.000666 -0.001357 0.010434 2C 1f-2 -0.005718 0.000621 0.006731 -0.001765 0.000285 -0.003151 2C 1f+3 -0.006870 0.003304 0.000433 -0.002487 0.000665 0.006039 2C 1f-3 -0.000162 -0.001460 -0.003315 0.000735 0.001164 -0.003265 3C 1s 0.002144 -0.001341 0.000844 -0.000291 -0.000220 0.000097 3C 2s 0.006476 -0.004980 0.003684 -0.000841 -0.000694 -0.002026 3C 3s -0.027885 0.042881 -0.075007 0.019262 0.018903 0.134300 3C 4s 0.038477 0.003523 0.283640 -0.180899 -0.254165 -0.696043 3C 5s -1.932295 3.415310 0.329286 0.758993 1.967435 0.638989 3C 1pz -0.009867 0.023254 0.002894 -0.026180 -0.010447 0.018247 3C 1px 0.005948 0.012670 -0.008783 -0.009766 0.017767 0.002851 3C 1py 0.024917 -0.043312 0.019446 -0.010811 0.008860 -0.011049 3C 2pz 0.021629 0.163530 0.103253 -0.189710 -0.081869 -0.051001 3C 2px 0.196420 -0.027117 0.164854 0.001886 0.146435 -0.087137 3C 2py 0.174300 -0.081910 -0.064324 -0.015785 0.065789 0.254246 3C 3pz -0.244375 1.076665 -0.439457 0.474689 0.247382 0.203194 3C 3px 0.574832 -0.222636 0.797286 0.573234 0.122690 0.073461 3C 3py 0.652923 -0.825368 0.132363 0.300379 -0.328354 -0.070853 3C 1dz2 -0.001151 -0.003206 -0.001214 0.004812 0.001303 -0.000410 3C 1dxz 0.004373 0.000027 0.001090 0.003853 -0.001540 -0.001228 3C 1dyz 0.001971 -0.003602 0.000119 -0.003048 -0.001911 0.002274 3C 1dx2y2 0.000100 0.002264 -0.002954 0.004522 -0.001797 0.000765 3C 1dxy 0.000508 -0.002775 0.002064 0.000974 0.002758 0.001403 3C 2dz2 0.057168 0.159961 -0.127547 0.215138 0.028137 -0.008654 3C 2dxz -0.300575 0.049536 -0.078979 0.034568 -0.045411 0.022340 3C 2dyz -0.013562 -0.021360 0.036785 -0.047019 -0.050563 0.071228 3C 2dx2y2 -0.046798 -0.231020 0.096923 0.162395 -0.037990 -0.066991 3C 2dxy -0.092279 0.143171 -0.262120 -0.168696 0.037792 -0.054127 3C 1f0 -0.005973 -0.001660 -0.004109 0.003092 -0.000416 -0.000969 3C 1f+1 0.004090 0.002446 -0.002621 -0.000017 0.001023 -0.003007 3C 1f-1 0.004946 -0.002185 0.005205 -0.001086 0.001046 0.000389 3C 1f+2 0.002424 -0.002006 -0.000330 0.004302 0.005729 0.011988 3C 1f-2 -0.000113 0.000470 -0.005787 -0.001191 -0.002587 0.007530 3C 1f+3 -0.011268 -0.002264 0.003211 0.003207 0.000092 -0.002794 3C 1f-3 -0.006728 -0.004214 0.004452 0.002824 0.000038 0.002246 4C 1s 0.001010 -0.013487 -0.000197 0.005453 -0.001093 0.003841 4C 2s 0.003337 -0.028997 -0.001773 0.014211 -0.003046 0.015019 4C 3s -0.027798 0.019565 0.191200 -0.108466 0.006901 -0.459831 4C 4s -0.080293 0.286374 -1.698867 0.409447 0.224996 2.789830 4C 5s 0.816785 0.349601 -1.403532 -0.155048 -0.669316 2.059790 4C 1pz -0.025986 0.067284 0.070204 -0.030790 -0.010283 -0.072947 4C 1px 0.008752 -0.042734 -0.083390 -0.064854 0.090047 -0.031449 4C 1py -0.004624 0.034810 0.007222 0.006703 0.019356 -0.064053 4C 2pz 0.031984 0.230613 0.004973 0.060695 -0.120423 0.417934 4C 2px -0.167307 -0.218105 -0.433471 -0.222430 0.548630 -0.015719 4C 2py -0.100030 0.077621 -0.202281 0.032339 0.112261 0.232064 4C 3pz -1.098140 -2.179428 -0.352428 1.050405 0.375618 1.065480 4C 3px 0.150200 -2.365587 -2.189554 0.212947 0.484010 0.401742 4C 3py -0.176575 -2.422393 -1.000966 -0.055293 0.413026 0.576932 4C 1dz2 -0.002306 -0.003933 0.002486 0.013262 -0.004842 -0.005225 4C 1dxz -0.005637 -0.014175 -0.005201 0.004515 0.006263 -0.010807 4C 1dyz -0.004143 -0.006739 -0.000153 -0.005420 0.002021 0.005025 4C 1dx2y2 -0.003385 0.009826 -0.014067 0.010434 0.000506 0.012032 4C 1dxy 0.004595 -0.005666 -0.011555 0.001488 0.007538 0.005109 4C 2dz2 0.201525 0.131622 0.006949 0.065409 -0.067420 0.002189 4C 2dxz -0.137752 0.188566 0.140417 0.040486 0.060303 -0.126461 4C 2dyz -0.059994 0.129099 -0.070221 -0.011919 -0.054960 0.202488 4C 2dx2y2 -0.156286 -0.036160 -0.080880 0.149896 0.009004 0.226360 4C 2dxy 0.164538 0.007205 -0.092163 -0.111840 0.125095 0.150315 4C 1f0 0.002418 0.001021 0.007478 0.002813 -0.000699 -0.016867 4C 1f+1 -0.001616 0.000113 0.014911 -0.000459 -0.000048 -0.038514 4C 1f-1 0.001013 -0.001793 0.010464 0.000782 -0.003703 -0.013892 4C 1f+2 0.005526 -0.000581 -0.016414 0.008750 -0.004273 0.032383 4C 1f-2 -0.001849 0.001534 0.001412 -0.008914 0.006702 -0.006318 4C 1f+3 0.004887 -0.001080 -0.005513 0.003605 -0.003567 -0.000256 4C 1f-3 0.005066 -0.001815 0.017258 -0.008695 -0.006524 -0.026943 5C 1s -0.002394 0.015844 0.002633 0.000850 -0.000247 0.001785 5C 2s -0.005133 0.037345 0.004630 0.003609 0.000057 0.011094 5C 3s 0.062009 -0.189049 0.170817 -0.063690 -0.008757 -0.467341 5C 4s -0.549600 0.583353 -1.665047 0.311228 0.029834 2.852592 5C 5s -0.000053 0.131155 -1.457547 -0.464844 -1.117244 1.616279 5C 1pz 0.009338 -0.077647 0.034677 0.035840 -0.019594 -0.052036 5C 1px -0.023998 0.075144 -0.061379 -0.013606 0.075289 -0.025517 5C 1py -0.007416 0.104245 -0.038879 0.025002 0.013643 0.062976 5C 2pz -0.008525 -0.145090 0.007472 0.103995 -0.161826 0.286476 5C 2px -0.142316 0.439029 -0.451315 -0.060901 0.535873 0.033399 5C 2py 0.079228 0.128993 0.069554 -0.016825 0.108654 -0.429343 5C 3pz -0.721644 1.178836 0.569442 -0.058729 0.442461 0.493652 5C 3px -0.917311 2.793858 -2.404796 -1.211048 -0.180105 -0.338099 5C 3py 1.032483 -2.932291 -0.078890 -0.634131 -0.544659 -0.815186 5C 1dz2 0.005827 -0.007299 0.014225 -0.009844 -0.002303 -0.006081 5C 1dxz -0.005809 0.004807 0.001974 -0.010681 0.001013 -0.011263 5C 1dyz 0.003462 0.000299 -0.002415 0.003192 0.002645 -0.008261 5C 1dx2y2 0.000229 -0.005727 -0.013895 -0.008550 0.002564 0.015125 5C 1dxy -0.002113 -0.013783 0.007121 0.006485 -0.006054 0.005965 5C 2dz2 0.199448 -0.046293 0.094355 -0.078969 -0.049964 -0.145566 5C 2dxz -0.140228 -0.035748 0.053296 -0.090353 0.100028 -0.118464 5C 2dyz -0.038918 -0.001455 0.125620 0.059978 0.056908 -0.271380 5C 2dx2y2 -0.144129 0.194165 -0.024625 -0.080838 0.063787 0.106216 5C 2dxy -0.191147 0.138077 -0.055507 -0.155923 -0.180442 -0.046757 5C 1f0 0.003006 -0.004949 0.003262 -0.000507 0.006383 -0.006636 5C 1f+1 0.005422 -0.008367 0.012783 -0.010578 -0.008317 -0.019591 5C 1f-1 -0.002249 0.002657 -0.002664 0.003494 0.003586 0.001474 5C 1f+2 -0.001263 0.006613 -0.008437 0.003847 -0.001444 0.009871 5C 1f-2 -0.005418 0.004260 -0.014792 0.000648 -0.012024 0.030808 5C 1f+3 0.008287 -0.009201 0.012611 -0.001114 -0.004200 -0.030656 5C 1f-3 -0.003698 0.011312 -0.014626 -0.003121 0.001299 0.036197 6C 1s 0.002217 0.016344 0.002689 0.000819 0.000063 -0.002499 6C 2s 0.004704 0.038531 0.004706 0.003599 -0.000353 0.000615 6C 3s -0.060239 -0.194469 0.170852 -0.063749 -0.004774 -0.415842 6C 4s 0.548682 0.603134 -1.658550 0.307624 0.102347 2.652367 6C 5s -0.002349 0.117831 -1.420033 -0.582988 1.130296 1.955310 6C 1pz 0.009144 0.078501 -0.036323 -0.032470 -0.023474 0.031400 6C 1px -0.023277 -0.072706 0.066723 0.005665 0.074615 0.030817 6C 1py -0.006280 -0.106454 0.039917 -0.026021 0.009442 -0.045028 6C 2pz -0.008853 0.140464 -0.019590 -0.085858 -0.175230 -0.283744 6C 2px -0.138523 -0.426010 0.483650 0.009193 0.529241 -0.019560 6C 2py 0.080316 -0.124590 -0.060434 0.004545 0.115350 0.441581 6C 3pz -0.721433 -1.244949 -0.556872 0.044202 0.473779 -0.221458 6C 3px -0.910689 -2.846708 2.374313 1.216624 -0.139306 0.922250 6C 3py 0.998457 3.050103 0.093652 0.693162 -0.440686 -0.107833 6C 1dz2 -0.005695 -0.007463 0.014156 -0.010324 0.000571 -0.002347 6C 1dxz 0.005970 0.004866 0.001932 -0.010586 -0.002266 -0.010385 6C 1dyz -0.003562 -0.000006 -0.002627 0.003658 -0.002500 -0.007873 6C 1dx2y2 0.000014 -0.005995 -0.014245 -0.008369 -0.002906 0.016143 6C 1dxy 0.002231 -0.013608 0.007547 0.005806 0.006566 0.008315 6C 2dz2 -0.201226 -0.048742 0.092394 -0.085911 0.031780 -0.162693 6C 2dxz 0.139864 -0.038593 0.048987 -0.082444 -0.116871 -0.068537 6C 2dyz 0.038924 0.001713 0.124439 0.066686 -0.052673 -0.295644 6C 2dx2y2 0.141024 0.196460 -0.026826 -0.080250 -0.068182 0.103353 6C 2dxy 0.191368 0.145909 -0.040630 -0.173327 0.167236 -0.068893 6C 1f0 0.002933 0.005155 -0.002786 -0.000081 0.006527 0.005374 6C 1f+1 0.005362 0.008460 -0.013159 0.011333 -0.006530 0.018438 6C 1f-1 -0.002267 -0.002614 0.002814 -0.004021 0.003145 -0.001078 6C 1f+2 -0.001197 -0.006586 0.008375 -0.003736 -0.002224 -0.007670 6C 1f-2 -0.005532 -0.004803 0.013994 0.000420 -0.013090 -0.027411 6C 1f+3 0.008154 0.009420 -0.012710 0.001304 -0.003269 0.030720 6C 1f-3 -0.003630 -0.011331 0.014809 0.003187 0.000796 -0.034903 7C 1s -0.000969 -0.013601 -0.000344 0.004792 0.001375 0.007592 7C 2s -0.003280 -0.029296 -0.002132 0.012564 0.003785 0.023800 7C 3s 0.028243 0.021527 0.193751 -0.100595 -0.022523 -0.494949 7C 4s 0.081076 0.282461 -1.714822 0.395044 -0.088619 2.929216 7C 5s -0.800278 0.322368 -1.397706 -0.146168 0.758103 1.909191 7C 1pz -0.024778 -0.068954 -0.072366 0.028863 -0.002141 0.092068 7C 1px 0.005979 0.044348 0.089357 0.055618 0.087537 0.028380 7C 1py -0.004608 -0.034738 -0.006817 -0.010125 0.016728 0.066517 7C 2pz 0.035041 -0.234292 -0.012563 -0.049970 -0.118107 -0.439160 7C 2px -0.173473 0.225624 0.462775 0.171069 0.531669 0.025861 7C 2py -0.100820 -0.078196 0.206785 -0.042409 0.096854 -0.244915 7C 3pz -1.091375 2.153418 0.380284 -0.941433 0.260949 -1.702185 7C 3px 0.090382 2.354646 2.203792 -0.192265 0.279709 -0.842525 7C 3py -0.204891 2.453190 1.040418 0.119450 0.375497 -1.350717 7C 1dz2 0.002385 -0.003557 0.002797 0.012657 0.005856 -0.006542 7C 1dxz 0.005943 -0.014052 -0.005427 0.005036 -0.005293 -0.010388 7C 1dyz 0.004125 -0.006843 -0.000283 -0.005479 -0.002536 0.008827 7C 1dx2y2 0.003473 0.009992 -0.014032 0.010314 0.001395 0.010491 7C 1dxy -0.004436 -0.005790 -0.012058 0.001954 -0.006507 0.005818 7C 2dz2 -0.204497 0.131104 0.010191 0.061029 0.077143 -0.050594 7C 2dxz 0.132500 0.189779 0.137539 0.051388 -0.063008 -0.198773 7C 2dyz 0.060039 0.129352 -0.067139 -0.011157 0.053923 0.166064 7C 2dx2y2 0.153306 -0.032650 -0.080579 0.149653 0.011996 0.229183 7C 2dxy -0.164376 0.003478 -0.099740 -0.100492 -0.130242 0.130264 7C 1f0 0.002438 -0.001147 -0.007514 -0.002892 -0.000530 0.019665 7C 1f+1 -0.001559 -0.000251 -0.014989 0.000139 0.000536 0.040843 7C 1f-1 0.001003 0.001630 -0.010698 -0.000645 -0.003133 0.013993 7C 1f+2 0.005485 0.000564 0.016338 -0.007952 -0.005953 -0.034280 7C 1f-2 -0.001747 -0.001384 -0.001085 0.008124 0.007526 0.007259 7C 1f+3 0.004680 0.001099 0.005374 -0.003108 -0.004188 -0.001672 7C 1f-3 0.004971 0.001797 -0.017728 0.009154 -0.004897 0.025424 8C 1s -0.002136 -0.001442 0.000782 -0.000271 0.000038 0.001001 8C 2s -0.006458 -0.005237 0.003523 -0.000802 0.000065 0.000553 8C 3s 0.028062 0.042630 -0.075766 0.020900 -0.011797 0.124645 8C 4s -0.040880 0.017100 0.297904 -0.206482 0.217404 -0.708972 8C 5s 1.908390 3.528432 0.296374 0.943977 -1.845758 -0.544117 8C 1pz -0.009672 -0.024313 -0.003596 0.027636 -0.008017 -0.007675 8C 1px 0.005893 -0.011551 0.010430 0.008153 0.018850 -0.000641 8C 1py 0.024835 0.045215 -0.018255 0.010350 0.011622 -0.001611 8C 2pz 0.029197 -0.168059 -0.108331 0.201717 -0.056334 0.085598 8C 2px 0.197445 0.036398 -0.151986 -0.013827 0.157904 0.079185 8C 2py 0.177106 0.094214 0.073001 0.011547 0.064876 -0.289909 8C 3pz -0.218724 -1.096930 0.433259 -0.513938 0.154892 0.168292 8C 3px 0.581140 0.226609 -0.791343 -0.580492 0.095455 -0.038834 8C 3py 0.660438 0.865955 -0.138722 -0.277133 -0.345183 -0.153779 8C 1dz2 0.001197 -0.003230 -0.001214 0.005024 -0.000620 -0.000733 8C 1dxz -0.004444 0.000046 0.001192 0.003786 0.001868 -0.001782 8C 1dyz -0.001934 -0.003731 0.000160 -0.003305 0.001474 0.003618 8C 1dx2y2 -0.000122 0.002277 -0.002812 0.004449 0.002426 -0.000186 8C 1dxy -0.000523 -0.002862 0.001870 0.001256 -0.002726 0.001812 8C 2dz2 -0.058716 0.161378 -0.128988 0.225085 0.000266 -0.094972 8C 2dxz 0.303228 0.060134 -0.069444 0.031859 0.057321 0.000280 8C 2dyz 0.012586 -0.019029 0.038591 -0.056291 0.049810 0.077198 8C 2dx2y2 0.048681 -0.230117 0.102063 0.161876 0.052476 -0.032912 8C 2dxy 0.094823 0.139835 -0.264547 -0.163033 -0.046817 -0.064800 8C 1f0 -0.006055 0.001558 0.004049 -0.003167 -0.000904 0.000460 8C 1f+1 0.004150 -0.002238 0.002803 -0.000030 0.001185 0.003012 8C 1f-1 0.005033 0.002288 -0.005092 0.001076 0.001179 -0.000399 8C 1f+2 0.002488 0.002201 0.000721 -0.004796 0.005423 -0.013363 8C 1f-2 -0.000182 -0.000450 0.005678 0.001313 -0.002536 -0.007752 8C 1f+3 -0.011296 0.001789 -0.003410 -0.003318 -0.000264 0.002525 8C 1f-3 -0.006760 0.003915 -0.004537 -0.002808 -0.000350 -0.003068 9C 1s -0.001929 0.001326 0.001245 -0.000350 0.000771 -0.001147 9C 2s -0.005192 0.004672 0.005012 -0.001335 0.002228 -0.005813 9C 3s 0.003554 -0.005488 -0.082361 0.017221 -0.008172 0.138076 9C 4s 0.005605 -0.209997 0.272014 -0.094781 0.122433 -0.525819 9C 5s 1.885245 -3.138224 -0.474328 1.027630 -1.611593 1.551696 9C 1pz 0.006952 0.043004 0.027115 -0.016431 -0.002880 -0.035553 9C 1px -0.011380 0.001903 0.006278 -0.013689 0.012145 0.012529 9C 1py -0.018364 0.029260 0.009636 0.018579 0.005593 -0.033664 9C 2pz 0.093205 0.224746 -0.067923 -0.064805 -0.007132 0.122692 9C 2px -0.072695 -0.135061 -0.112155 -0.029140 0.082901 0.239094 9C 2py -0.242303 0.114302 -0.067619 0.145657 0.032003 -0.005035 9C 3pz -0.003266 1.219460 0.393909 0.083598 0.404998 -0.588537 9C 3px -0.175019 -0.642857 -0.770293 0.215400 -0.164113 0.351436 9C 3py -0.783383 0.311688 0.253525 -0.705974 0.009649 -0.232676 9C 1dz2 0.001185 -0.001802 0.002200 -0.004482 -0.002265 0.000386 9C 1dxz -0.002480 -0.001778 -0.000096 -0.004318 0.001944 0.000425 9C 1dyz 0.000347 -0.004058 -0.000696 0.003688 -0.000148 -0.001476 9C 1dx2y2 -0.002144 -0.004391 -0.001208 -0.004193 -0.001481 0.002615 9C 1dxy 0.001896 -0.001253 -0.003039 -0.000312 0.001842 0.000393 9C 2dz2 -0.027036 -0.168245 -0.072462 -0.239369 -0.108178 0.123742 9C 2dxz 0.126193 0.063749 0.135290 0.015992 0.079831 0.189525 9C 2dyz 0.092361 0.087001 0.048877 0.124924 0.033239 -0.111853 9C 2dx2y2 0.171692 0.207252 0.174410 -0.138644 0.028361 -0.083544 9C 2dxy -0.216118 0.042724 0.213524 -0.081948 0.015152 -0.003356 9C 1f0 -0.011084 -0.000147 0.001657 0.004536 0.000259 0.002129 9C 1f+1 0.003401 -0.001134 -0.003108 -0.001273 0.002746 0.002649 9C 1f-1 0.001966 0.006798 -0.001940 0.000126 -0.000493 0.002919 9C 1f+2 0.003379 -0.004695 -0.000049 0.000627 -0.001168 -0.009617 9C 1f-2 -0.005619 -0.000777 -0.006696 0.001707 0.000759 0.001461 9C 1f+3 -0.006879 -0.003339 -0.000562 0.002391 0.000981 -0.006653 9C 1f-3 -0.000317 0.001458 0.003369 -0.000703 0.001030 0.003710 10H 1s 0.004964 -0.023510 -0.017797 -0.000850 0.003819 0.004055 10H 2s 0.253247 -0.305341 -0.166820 0.018365 -0.085555 0.380587 10H 3s 0.256126 -0.241211 -0.348122 0.057451 -0.019826 0.147824 10H 1pz 0.013037 0.010259 0.013073 0.006771 -0.015656 0.012580 10H 1px -0.010900 0.022013 0.012153 -0.004735 -0.006360 -0.031763 10H 1py -0.012364 0.013675 0.013254 -0.007866 -0.008701 0.007991 11H 1s 0.012441 -0.006221 0.001553 -0.008645 -0.008681 0.003946 11H 2s 0.413306 0.033158 0.045209 0.002309 -0.047738 -0.095401 11H 3s 0.353424 0.177096 0.159839 -0.411428 -0.239582 -0.171550 11H 1pz 0.014102 0.011461 0.003256 0.018656 0.007157 -0.003901 11H 1px 0.012389 0.005112 -0.006371 -0.000544 0.003140 -0.009661 11H 1py -0.025835 0.001398 -0.013384 0.010722 0.000550 0.000520 12H 1s -0.002733 -0.002218 -0.003395 0.007012 -0.011286 0.004712 12H 2s -0.378363 0.122158 -0.053617 -0.086920 -0.105476 0.036210 12H 3s -0.155851 0.327774 -0.068560 0.175253 -0.309378 -0.097681 12H 1pz 0.025999 -0.005056 0.005024 -0.018639 0.013466 -0.003217 12H 1px -0.012693 0.014647 0.000454 -0.005614 0.004392 -0.004364 12H 1py -0.032257 0.009910 -0.006781 -0.017125 0.004265 0.003446 13H 1s -0.012844 0.022738 -0.015979 -0.008774 -0.003524 -0.001331 13H 2s -0.320687 0.229114 -0.135482 -0.120990 -0.202875 0.194057 13H 3s -0.126510 0.146302 -0.433391 -0.120953 -0.130292 0.014425 13H 1pz -0.003678 -0.002353 0.011052 -0.003847 -0.004802 0.018323 13H 1px 0.035154 -0.018927 0.017331 0.001715 -0.000309 -0.013919 13H 1py 0.003902 0.021765 -0.008572 -0.004753 0.015775 -0.000381 14H 1s 0.010941 0.004155 0.001707 0.004509 -0.013842 0.000381 14H 2s 0.547337 0.112962 0.081621 -0.051837 0.001673 0.101525 14H 3s 0.463285 -0.092400 0.018848 0.246524 -0.236630 -0.069293 14H 1pz 0.013670 0.011525 -0.001208 -0.012941 0.005550 0.008470 14H 1px 0.040982 0.004997 0.008123 0.000319 0.014655 0.009695 14H 1py 0.018820 0.006327 0.001373 0.014848 -0.011187 0.001675 15H 1s -0.000025 -0.002009 0.000170 -0.010769 -0.010780 0.000203 15H 2s -0.081071 -0.135229 -0.084306 0.020515 -0.060479 -0.085984 15H 3s 0.128626 -0.389250 0.084953 -0.383898 -0.270309 -0.176515 15H 1pz 0.010291 0.011965 0.002010 0.009539 0.001217 0.003817 15H 1px 0.013670 0.007954 -0.014213 0.002015 0.001860 -0.003451 15H 1py 0.012887 0.011873 0.007077 -0.022940 -0.010648 -0.000991 16H 1s -0.002553 0.012010 0.001976 -0.010539 0.027219 -0.022697 16H 2s -0.060983 -0.025395 0.024197 -0.132234 0.418936 -0.622195 16H 3s 0.011936 0.070116 -0.091659 0.040949 0.095475 0.055775 16H 1pz -0.008395 -0.002186 -0.001228 0.000761 -0.002315 -0.009691 16H 1px -0.002444 0.011796 -0.000400 -0.010103 -0.000736 -0.013114 16H 1py 0.001358 -0.010120 0.002002 -0.006017 0.038471 -0.045285 17H 1s -0.009132 -0.014947 -0.001089 -0.005580 0.028349 -0.015549 17H 2s 0.037971 -0.170368 -0.095953 -0.148640 0.424591 -0.581575 17H 3s 0.249613 -0.040304 -0.089895 0.070312 0.037295 0.176113 17H 1pz -0.003303 0.008103 -0.008111 -0.000928 0.006663 -0.003236 17H 1px -0.016671 -0.012140 0.011626 0.002322 0.003586 0.001307 17H 1py -0.002839 -0.014473 -0.005604 -0.006633 0.038713 -0.047556 18H 1s 0.009243 -0.015051 -0.002569 -0.002642 -0.028412 -0.016410 18H 2s -0.036719 -0.173003 -0.122839 -0.107029 -0.414475 -0.600902 18H 3s -0.255094 -0.029774 -0.088401 0.072246 -0.018282 0.152335 18H 1pz -0.003331 -0.007977 0.007993 0.000317 0.005412 0.001960 18H 1px -0.016550 0.011740 -0.012089 -0.002847 0.003659 -0.001393 18H 1py -0.003115 0.014800 0.007913 0.002999 0.037391 0.046604 19H 1s 0.002658 0.011201 0.000242 -0.007693 -0.027828 -0.025790 19H 2s 0.060931 -0.032058 -0.002039 -0.087210 -0.412600 -0.636168 19H 3s -0.011103 0.073804 -0.088493 0.055806 -0.089220 0.060041 19H 1pz -0.008194 0.001437 0.000766 -0.000445 -0.003952 0.007323 19H 1px -0.002822 -0.011398 0.000002 0.010087 0.000157 0.016346 19H 1py 0.001295 0.011455 0.000693 0.001977 0.037698 0.044821 20H 1s 0.000331 -0.001714 0.000592 -0.012010 0.009706 0.002124 20H 2s 0.092213 -0.131894 -0.083114 0.018601 0.056779 -0.021780 20H 3s -0.117777 -0.387450 0.090611 -0.415051 0.216724 -0.053000 20H 1pz 0.011336 -0.011838 -0.001951 -0.009741 -0.000015 0.001475 20H 1px 0.013564 -0.007160 0.014427 -0.002485 0.001906 0.005439 20H 1py 0.013497 -0.011800 -0.007443 0.024649 -0.008327 0.001392 21H 1s -0.011186 0.004525 0.002374 0.003467 0.014296 -0.002482 21H 2s -0.555725 0.097425 0.070996 -0.054312 -0.022404 0.085035 21H 3s -0.471665 -0.097863 0.026517 0.227496 0.260578 -0.047309 21H 1pz 0.014472 -0.010613 0.001685 0.012819 0.007595 -0.010083 21H 1px 0.041383 -0.003341 -0.006561 -0.001393 0.015754 -0.009849 21H 1py 0.019375 -0.006367 -0.002059 -0.014074 -0.012624 0.004075 22H 1s 0.012757 0.023120 -0.015860 -0.008983 0.003383 -0.005113 22H 2s 0.317614 0.248447 -0.119591 -0.138581 0.201688 0.150706 22H 3s 0.125004 0.150238 -0.428153 -0.131656 0.141997 0.011214 22H 1pz -0.002997 0.001950 -0.011498 0.004655 -0.004284 -0.020280 22H 1px 0.035092 0.020245 -0.016704 -0.001448 0.000830 0.009202 22H 1py 0.004434 -0.021299 0.009729 0.003248 0.015772 0.004874 23H 1s 0.002751 -0.001957 -0.002932 0.005857 0.012198 0.004640 23H 2s 0.374629 0.126127 -0.042302 -0.094127 0.098051 0.052038 23H 3s 0.152255 0.331892 -0.052513 0.159718 0.334592 -0.177122 23H 1pz 0.025881 0.006090 -0.003861 0.016990 0.015134 0.002264 23H 1px -0.011416 -0.014265 -0.000334 0.004994 0.004841 0.006734 23H 1py -0.032426 -0.010378 0.006162 0.016577 0.005970 -0.007281 24H 1s -0.012622 -0.006770 0.001765 -0.009447 0.008076 0.007522 24H 2s -0.420083 0.020758 0.039509 0.002619 0.043650 -0.180544 24H 3s -0.358576 0.162814 0.163636 -0.418137 0.190039 -0.137772 24H 1pz 0.014383 -0.011249 -0.002493 -0.019641 0.005733 0.015734 24H 1px 0.013299 -0.004799 0.006157 0.000127 0.003145 0.014218 24H 1py -0.026228 -0.002371 0.012911 -0.010762 -0.001314 -0.001097 25H 1s -0.004195 -0.023903 -0.018357 -0.000989 -0.002138 0.007779 25H 2s -0.237308 -0.308778 -0.172026 0.007569 0.103088 0.462235 25H 3s -0.242226 -0.245704 -0.353433 0.055215 0.058643 0.144870 25H 1pz 0.013287 -0.010376 -0.013747 -0.005827 -0.014804 -0.010968 25H 1px -0.009489 -0.021976 -0.012961 0.004700 -0.004891 0.036715 25H 1py -0.012244 -0.014113 -0.013975 0.008280 -0.006715 -0.008623 26O 1s 0.003323 -0.000905 -0.000104 -0.001880 0.009540 -0.010940 26O 2s 0.007093 -0.003570 -0.000614 -0.004287 0.021842 -0.024561 26O 3s 0.003885 0.030082 0.004741 0.001680 -0.008781 0.014357 26O 4s -0.143087 -0.178918 -0.183318 0.060004 -0.216689 0.429689 26O 5s 0.515770 1.882440 2.271654 -0.199430 -0.594587 -2.465508 26O 1pz 0.014370 0.055498 0.042686 -0.041416 -0.005619 0.017922 26O 1px 0.017599 -0.002765 0.042848 -0.035858 -0.033739 -0.003072 26O 1py -0.015159 0.068552 -0.020909 0.027561 -0.018760 -0.025456 26O 2pz 0.021915 0.132039 0.143101 -0.056617 0.026654 0.074329 26O 2px 0.009064 -0.028064 0.018334 -0.046625 -0.055791 0.152195 26O 2py -0.108227 0.147429 -0.049687 0.049662 -0.030816 0.028646 26O 3pz 0.155715 -0.742818 -0.890477 -0.039810 0.006961 -0.250238 26O 3px -0.293700 -0.471946 -1.491987 0.026805 1.075326 1.129837 26O 3py 0.044101 -0.612517 -0.745581 0.010422 0.441564 0.495823 26O 1dz2 0.004060 0.003119 0.004859 -0.000011 -0.004672 -0.001920 26O 1dxz 0.002934 -0.005075 -0.005541 -0.002139 0.000834 -0.001936 26O 1dyz -0.001417 0.000256 -0.000883 -0.000576 0.000173 0.000213 26O 1dx2y2 0.002925 0.001119 -0.008459 -0.004320 0.007055 0.003337 26O 1dxy -0.004588 -0.000964 -0.006435 0.000988 0.005086 0.003224 26O 2dz2 0.026368 0.002704 0.009588 0.028167 0.025239 0.045174 26O 2dxz 0.016292 0.016041 0.013013 -0.007680 -0.007689 -0.031851 26O 2dyz -0.026923 0.034963 0.026383 -0.011269 -0.002321 -0.001592 26O 2dx2y2 0.027825 0.003138 0.038089 -0.002563 -0.009925 -0.042565 26O 2dxy 0.015675 0.018494 0.049489 0.004939 -0.020283 -0.060507 26O 1f0 -0.000506 0.001052 0.000568 -0.000034 0.000240 -0.000076 26O 1f+1 -0.000721 -0.000310 0.002547 -0.001929 0.000346 -0.005894 26O 1f-1 0.000416 -0.002270 -0.000812 -0.000563 0.000850 -0.001097 26O 1f+2 -0.000480 0.000113 0.001100 -0.000721 -0.000535 0.000428 26O 1f-2 0.000108 -0.001682 -0.001082 0.000543 0.000124 -0.000400 26O 1f+3 -0.001470 -0.000234 0.002340 0.001019 -0.000515 -0.003342 26O 1f-3 0.001482 0.000711 0.002110 -0.001110 0.000238 -0.007100 27O 1s 0.001887 -0.000750 -0.000955 -0.004786 0.008369 -0.004243 27O 2s 0.002791 -0.000180 -0.002280 -0.011143 0.018707 -0.010291 27O 3s 0.023288 -0.024320 0.001947 0.011189 0.002978 0.025348 27O 4s -0.228242 0.269855 -0.139235 0.091281 -0.266902 0.143468 27O 5s 1.393214 -2.705333 2.000902 0.187385 -0.053225 -1.587739 27O 1pz 0.017392 -0.008578 -0.000033 0.073788 0.027305 -0.005211 27O 1px 0.021330 -0.001995 0.032694 0.022898 -0.023850 -0.017064 27O 1py -0.001373 0.071887 -0.027693 0.007398 0.003876 -0.019973 27O 2pz 0.066876 -0.026400 0.050989 0.148866 0.088103 0.006203 27O 2px -0.016864 0.068652 0.012879 0.066706 -0.028014 0.099886 27O 2py 0.064203 0.146500 -0.109566 -0.027615 -0.044012 -0.095615 27O 3pz 0.070702 0.039160 -0.293863 -0.350275 -0.450782 -0.266721 27O 3px -0.544417 1.148520 -1.524980 -0.190031 0.907335 1.180095 27O 3py 0.004268 -0.766895 1.081618 0.524489 0.166875 0.250654 27O 1dz2 0.003882 -0.002634 0.005594 -0.000033 -0.003413 -0.002924 27O 1dxz 0.004478 -0.001296 -0.000276 0.000803 -0.003537 -0.001855 27O 1dyz -0.002447 0.002325 -0.000869 -0.001818 -0.000931 -0.002345 27O 1dx2y2 0.000024 0.003344 -0.008800 -0.000009 0.006763 0.004676 27O 1dxy 0.005100 -0.005082 0.006658 0.004582 0.000483 0.001182 27O 2dz2 0.028417 0.052227 -0.020460 -0.011793 0.009925 0.050400 27O 2dxz 0.010206 -0.007456 -0.006810 0.005071 -0.003822 -0.001761 27O 2dyz -0.020398 0.017507 -0.032277 -0.004417 -0.019677 -0.014671 27O 2dx2y2 0.038548 -0.016124 0.030966 -0.019100 -0.028053 -0.065691 27O 2dxy -0.015776 0.041792 -0.032875 0.004873 0.012967 0.039068 27O 1f0 -0.000510 -0.000112 0.000329 0.000193 0.000495 0.001759 27O 1f+1 -0.000487 -0.002205 0.001994 0.000583 -0.000291 -0.005226 27O 1f-1 0.000237 -0.000110 0.000054 -0.000446 -0.000074 0.000084 27O 1f+2 0.001424 -0.002848 0.002202 0.000819 -0.000535 -0.002377 27O 1f-2 0.000175 -0.000837 0.001272 -0.000005 0.000142 0.001190 27O 1f+3 -0.000058 -0.001669 0.002391 -0.002680 -0.000910 -0.006952 27O 1f-3 -0.002566 0.001891 -0.001443 -0.000286 -0.000580 0.001519 28O 1s -0.001402 0.002923 0.002611 -0.001968 -0.009370 -0.005997 28O 2s -0.003135 0.005993 0.006507 -0.004426 -0.021425 -0.013678 28O 3s 0.002321 0.006096 -0.017873 0.003495 0.007225 0.016543 28O 4s 0.036665 -0.058737 -0.002234 0.091918 0.243620 0.275891 28O 5s -0.034062 0.279727 0.244965 -0.727286 0.299707 -2.402519 28O 1pz -0.014885 0.051651 0.040572 -0.034130 0.012502 -0.014116 28O 1px -0.001598 -0.022301 -0.077621 -0.030159 -0.012118 0.017421 28O 1py 0.010657 0.013679 -0.018721 0.068135 -0.008592 -0.026212 28O 2pz -0.003131 0.017448 -0.028975 -0.042097 -0.005853 0.100582 28O 2px -0.037266 -0.042082 -0.120323 -0.085499 -0.030332 -0.085154 28O 2py 0.078659 -0.042041 -0.089575 0.133757 -0.043597 -0.033183 28O 3pz -0.139425 0.386300 0.102523 0.379912 -0.395556 0.720233 28O 3px -0.097465 0.167366 0.778042 -0.262120 0.643691 -1.314363 28O 3py -0.152469 0.377044 0.491547 -0.247666 0.164988 0.176853 28O 1dz2 -0.006441 0.002375 0.003916 0.002285 0.000295 -0.000388 28O 1dxz 0.000512 -0.003523 0.001057 -0.001569 0.004582 -0.005567 28O 1dyz 0.004248 0.002586 0.000166 -0.001610 0.001303 0.001159 28O 1dx2y2 0.000288 0.001627 -0.002027 0.002510 -0.004092 0.005493 28O 1dxy -0.003061 -0.000880 -0.001503 0.001476 -0.001567 0.000714 28O 2dz2 -0.015927 0.017764 -0.002261 -0.013816 0.004373 -0.019474 28O 2dxz 0.003147 -0.008339 -0.050300 0.021274 -0.021954 0.088262 28O 2dyz 0.023759 -0.005898 -0.008738 -0.006128 -0.008150 -0.013011 28O 2dx2y2 -0.025899 0.019597 0.016391 -0.011483 0.007629 -0.039555 28O 2dxy 0.012894 -0.016853 -0.003928 -0.002893 -0.011079 0.024503 28O 1f0 -0.000398 -0.000895 0.001655 -0.003061 0.000927 -0.003867 28O 1f+1 0.001769 -0.000148 0.000392 -0.001205 -0.000249 -0.002091 28O 1f-1 0.000408 0.000280 0.000640 0.000157 -0.000779 0.000764 28O 1f+2 0.001607 0.000683 -0.001812 0.000839 -0.000252 0.006957 28O 1f-2 -0.001091 -0.000417 -0.000378 0.000262 -0.000919 0.000630 28O 1f+3 0.001341 0.000289 -0.000908 0.000189 -0.000741 0.004942 28O 1f-3 -0.002335 0.000299 0.000322 0.001431 -0.000624 -0.000702 29O 1s -0.001324 0.005628 0.003186 0.003839 -0.007956 0.017946 29O 2s -0.003053 0.011399 0.009244 0.007764 -0.019662 0.034566 29O 3s 0.000336 0.019438 -0.037093 0.014246 0.035479 0.095046 29O 4s 0.063578 -0.309057 0.063250 -0.226290 0.159140 -1.222699 29O 5s -0.252080 0.627466 -0.256285 0.482768 -0.225384 2.861332 29O 1pz 0.014334 -0.016161 -0.019928 -0.009632 0.032368 -0.010295 29O 1px 0.023422 0.011367 0.054800 0.029561 -0.114263 0.051557 29O 1py -0.019132 -0.000193 0.021781 0.002443 -0.032752 0.002519 29O 2pz 0.019532 -0.057335 -0.036459 -0.026100 0.059838 -0.068242 29O 2px 0.063777 0.051883 0.073391 0.076151 -0.217343 0.235030 29O 2py -0.038778 -0.022391 0.044317 -0.004458 -0.066892 -0.043943 29O 3pz -0.144101 0.259619 0.210615 0.085195 0.045699 0.117583 29O 3px -0.172888 -0.123422 0.042167 -0.155485 0.050160 -0.677495 29O 3py 0.118504 0.030558 -0.172888 -0.131048 0.472516 -0.420481 29O 1dz2 -0.000545 0.000136 -0.000464 -0.001347 0.004717 -0.005993 29O 1dxz 0.001029 -0.001382 0.000160 -0.000282 0.003575 -0.002081 29O 1dyz -0.001178 0.001562 0.001585 0.000351 0.000328 -0.000741 29O 1dx2y2 0.000364 -0.001152 0.001252 0.000192 -0.002016 -0.001474 29O 1dxy -0.001410 0.002150 -0.000380 -0.000133 -0.002433 0.003092 29O 2dz2 0.006204 0.007034 -0.010759 -0.006690 0.015017 -0.005515 29O 2dxz -0.008058 -0.005269 -0.003197 0.007386 -0.003819 0.017674 29O 2dyz 0.002236 -0.001411 -0.002205 -0.002131 -0.011276 0.006138 29O 2dx2y2 -0.025696 -0.018677 0.002313 -0.010460 0.043454 -0.052319 29O 2dxy 0.008496 -0.000937 0.002049 0.009982 0.018176 -0.006329 29O 1f0 -0.000268 -0.001098 -0.000758 -0.000343 0.001216 -0.002574 29O 1f+1 -0.000333 0.000005 0.000300 0.000349 -0.000818 0.001598 29O 1f-1 0.000067 -0.000637 0.000123 0.000211 -0.000210 -0.001510 29O 1f+2 0.000584 0.001155 0.000829 -0.000143 -0.000635 0.000890 29O 1f-2 0.000663 0.000271 0.000540 0.000087 0.000362 -0.001536 29O 1f+3 -0.001187 -0.000414 0.000725 -0.000132 0.000256 -0.000272 29O 1f-3 -0.000447 -0.000890 0.000544 0.000702 0.000124 0.000175 30O 1s 0.003226 -0.006182 0.002586 0.002305 -0.011139 -0.011108 30O 2s 0.008214 -0.013615 0.006616 0.005442 -0.025215 -0.025671 30O 3s -0.019515 0.001597 -0.020965 -0.008221 0.002736 0.027011 30O 4s -0.035859 0.166936 0.020530 0.017310 0.326734 0.406317 30O 5s 0.356178 -0.806050 -0.090555 -0.401077 0.207113 -2.433720 30O 1pz -0.016549 -0.047417 -0.023745 0.044477 0.037147 -0.007982 30O 1px -0.017199 0.019601 -0.082753 0.001054 -0.039520 0.001982 30O 1py -0.043590 0.044285 -0.024327 0.056986 -0.012496 -0.004578 30O 2pz -0.085807 -0.028157 -0.123824 0.055759 0.015143 0.053569 30O 2px -0.005367 0.031580 -0.163620 -0.008899 -0.089254 -0.129735 30O 2py -0.112332 -0.031785 0.035851 0.137199 0.042949 -0.101906 30O 3pz -0.098423 -0.107125 0.256338 0.115170 -0.365531 0.733973 30O 3px 0.147200 -0.427641 0.887426 -0.041755 0.955538 -1.028213 30O 3py 0.399611 0.447281 -0.336733 -0.593927 0.135581 -0.646576 30O 1dz2 -0.006359 0.002884 0.003397 -0.001519 0.001923 -0.002564 30O 1dxz 0.002483 0.003184 0.001824 -0.000863 0.005299 -0.003984 30O 1dyz 0.003563 0.003631 -0.001122 -0.001029 0.003054 -0.004146 30O 1dx2y2 -0.001445 0.001870 -0.003622 -0.002184 -0.003535 0.002586 30O 1dxy 0.000474 -0.003951 0.000158 0.001901 -0.004067 0.003931 30O 2dz2 -0.029291 -0.007097 -0.011311 -0.000670 -0.007594 -0.000956 30O 2dxz -0.025657 0.020477 -0.038947 -0.011069 -0.025034 0.054014 30O 2dyz -0.009985 0.016156 0.000435 0.010445 -0.005476 0.049790 30O 2dx2y2 -0.023253 -0.000736 0.007842 -0.001169 -0.006273 -0.007804 30O 2dxy -0.001095 -0.046587 0.029007 -0.009363 0.026132 -0.065905 30O 1f0 0.000252 -0.001341 -0.000302 -0.000418 0.000182 -0.005138 30O 1f+1 0.001805 -0.001095 -0.000269 0.000825 -0.000422 -0.000813 30O 1f-1 0.000364 -0.000065 -0.000416 -0.001823 -0.000383 0.000589 30O 1f+2 -0.001241 0.000638 -0.001727 -0.000976 -0.000637 0.003892 30O 1f-2 -0.001506 0.001332 -0.000866 0.000354 0.000280 0.006123 30O 1f+3 -0.000291 -0.000479 -0.000211 0.000452 -0.000501 0.000005 30O 1f-3 0.001098 0.001711 -0.001981 0.002021 -0.000262 0.006184 31O 1s -0.003198 -0.006129 0.003304 0.001087 0.011322 -0.010036 31O 2s -0.008163 -0.013529 0.008235 0.002698 0.025589 -0.022816 31O 3s 0.019719 0.002253 -0.021062 -0.008093 -0.002071 0.018004 31O 4s 0.033773 0.164321 -0.000452 0.053560 -0.329249 0.408588 31O 5s -0.345108 -0.847439 -0.111095 -0.375764 -0.262202 -2.350146 31O 1pz -0.018435 0.047756 0.025437 -0.048822 0.032633 0.006545 31O 1px -0.017596 -0.021727 0.079714 0.002779 -0.043382 0.013273 31O 1py -0.043905 -0.046292 0.022743 -0.055792 -0.021294 0.021996 31O 2pz -0.090212 0.026360 0.123606 -0.058556 0.007314 -0.046584 31O 2px -0.006518 -0.034741 0.157002 0.017492 -0.093890 0.154587 31O 2py -0.114248 0.029744 -0.034918 -0.140014 0.026029 0.112754 31O 3pz -0.089303 0.089091 -0.287758 -0.077267 -0.403494 -0.708478 31O 3px 0.149215 0.466731 -0.821282 -0.054181 0.999825 0.826818 31O 3py 0.406884 -0.426461 0.351172 0.561838 0.218144 0.641467 31O 1dz2 0.006286 0.002924 0.003390 -0.001325 -0.002183 -0.001750 31O 1dxz -0.002537 0.002988 0.001374 -0.000365 -0.005731 -0.003990 31O 1dyz -0.003569 0.003600 -0.001359 -0.000702 -0.003258 -0.004516 31O 1dx2y2 0.001443 0.002021 -0.003337 -0.002528 0.003400 0.002650 31O 1dxy -0.000434 -0.003811 0.000427 0.001385 0.004468 0.003780 31O 2dz2 0.029518 -0.005997 -0.010521 -0.001348 0.008404 -0.004189 31O 2dxz 0.025947 0.021922 -0.037322 -0.013587 0.025978 0.046619 31O 2dyz 0.009657 0.017594 0.001012 0.009555 0.007766 0.038654 31O 2dx2y2 0.023394 -0.000458 0.008347 -0.001904 0.005536 -0.007039 31O 2dxy 0.001525 -0.047549 0.027376 -0.006980 -0.028207 -0.058108 31O 1f0 0.000228 0.001396 0.000306 0.000379 0.000214 0.005082 31O 1f+1 0.001811 0.001095 0.000260 -0.000804 -0.000512 0.001263 31O 1f-1 0.000356 0.000083 0.000416 0.001875 -0.000185 -0.000638 31O 1f+2 -0.001250 -0.000678 0.001688 0.001032 -0.000580 -0.003583 31O 1f-2 -0.001497 -0.001394 0.000887 -0.000376 0.000215 -0.005476 31O 1f+3 -0.000300 0.000438 0.000155 -0.000390 -0.000565 -0.000395 31O 1f-3 0.001123 -0.001733 0.001993 -0.002027 -0.000520 -0.005414 32O 1s 0.001202 0.005713 0.003734 0.003001 0.007371 0.018405 32O 2s 0.002796 0.011602 0.010587 0.005698 0.018200 0.035692 32O 3s -0.000607 0.019131 -0.039377 0.017848 -0.032687 0.093669 32O 4s -0.058238 -0.310487 0.051880 -0.208767 -0.149982 -1.233689 32O 5s 0.245259 0.623820 -0.241535 0.454998 0.214303 2.878857 32O 1pz 0.014818 0.016588 0.022787 0.006293 0.030178 0.014015 32O 1px 0.024537 -0.014039 -0.062773 -0.017808 -0.109860 -0.057680 32O 1py -0.018873 0.000149 -0.023652 0.000637 -0.030800 0.000178 32O 2pz 0.020821 0.057476 0.042412 0.020661 0.055341 0.072513 32O 2px 0.066723 -0.058704 -0.089862 -0.054389 -0.209988 -0.241213 32O 2py -0.038823 0.023686 -0.047492 0.011324 -0.064027 0.041457 32O 3pz -0.146816 -0.256373 -0.218316 -0.100445 0.048181 -0.139316 32O 3px -0.180899 0.138900 -0.029108 0.148903 0.045016 0.658193 32O 3py 0.116568 -0.037579 0.196670 0.079980 0.462106 0.471229 32O 1dz2 0.000501 -0.000021 -0.000824 -0.000881 -0.004675 -0.006079 32O 1dxz -0.001080 -0.001419 -0.000067 0.000093 -0.003487 -0.002280 32O 1dyz 0.001193 0.001502 0.001599 0.000387 -0.000516 -0.000791 32O 1dx2y2 -0.000396 -0.001197 0.001343 -0.000030 0.001994 -0.001255 32O 1dxy 0.001400 0.002084 -0.000271 -0.000345 0.002259 0.002683 32O 2dz2 -0.006040 0.006409 -0.011441 -0.004848 -0.015064 -0.009309 32O 2dxz 0.008146 -0.004921 -0.002024 0.007487 0.004731 0.019603 32O 2dyz -0.001865 -0.001524 -0.001996 -0.003645 0.009199 0.004924 32O 2dx2y2 0.026132 -0.019933 -0.000560 -0.006225 -0.043048 -0.051310 32O 2dxy -0.008440 -0.001254 0.000745 0.011766 -0.017604 -0.004811 32O 1f0 -0.000267 0.001094 0.000857 0.000221 0.001100 0.002334 32O 1f+1 -0.000339 -0.000070 -0.000356 -0.000265 -0.000777 -0.001748 32O 1f-1 0.000125 0.000628 -0.000157 -0.000182 -0.000246 0.001450 32O 1f+2 0.000569 -0.001155 -0.000856 0.000192 -0.000470 -0.000761 32O 1f-2 0.000687 -0.000280 -0.000479 -0.000117 0.000304 0.001317 32O 1f+3 -0.001155 0.000396 -0.000745 0.000113 0.000359 0.000277 32O 1f-3 -0.000480 0.000933 -0.000545 -0.000694 0.000113 -0.000410 33O 1s 0.001298 0.002995 0.003258 -0.002966 0.008921 -0.006047 33O 2s 0.002874 0.006189 0.008005 -0.006632 0.020360 -0.014215 33O 3s -0.001666 0.005455 -0.018786 0.002866 -0.005557 0.025112 33O 4s -0.038530 -0.057469 -0.018015 0.124051 -0.235492 0.242371 33O 5s 0.051971 0.269031 0.240828 -0.692991 -0.347425 -2.516229 33O 1pz -0.014435 -0.051603 -0.040463 0.030849 0.019225 0.021984 33O 1px -0.002950 0.023020 0.077005 0.033621 -0.016163 -0.039385 33O 1py 0.010999 -0.014676 0.018139 -0.067267 -0.016520 0.035416 33O 2pz -0.004445 -0.018476 0.027547 0.040252 -0.001954 -0.109857 33O 2px -0.039549 0.042502 0.117079 0.093001 -0.034776 0.051191 33O 2py 0.077962 0.041383 0.087582 -0.128351 -0.062103 0.036048 33O 3pz -0.128184 -0.386434 -0.117880 -0.327039 -0.410011 -0.760610 33O 3px -0.093177 -0.158198 -0.739922 0.163645 0.714876 1.563874 33O 3py -0.143566 -0.381970 -0.483896 0.227818 0.210435 -0.086055 33O 1dz2 0.006352 0.002466 0.003940 0.002408 -0.000376 -0.000491 33O 1dxz -0.000487 -0.003605 0.000756 -0.001061 -0.004706 -0.006377 33O 1dyz -0.004270 0.002553 0.000089 -0.001471 -0.001481 0.001093 33O 1dx2y2 -0.000311 0.001741 -0.001736 0.002040 0.004508 0.005655 33O 1dxy 0.003117 -0.000870 -0.001401 0.001354 0.001699 0.000984 33O 2dz2 0.015763 0.018197 -0.002008 -0.012535 -0.004880 -0.022962 33O 2dxz -0.002783 -0.008187 -0.049420 0.017575 0.026075 0.100569 33O 2dyz -0.023003 -0.005808 -0.008105 -0.005918 0.008301 -0.022270 33O 2dx2y2 0.025365 0.019912 0.016589 -0.009692 -0.009641 -0.044694 33O 2dxy -0.012596 -0.016889 -0.003384 -0.003922 0.010855 0.026964 33O 1f0 -0.000415 0.000900 -0.001628 0.002928 0.001287 0.003780 33O 1f+1 0.001784 0.000182 -0.000415 0.001223 -0.000164 0.002204 33O 1f-1 0.000440 -0.000281 -0.000672 -0.000105 -0.000741 -0.000360 33O 1f+2 0.001593 -0.000632 0.001864 -0.000739 -0.000318 -0.007683 33O 1f-2 -0.001103 0.000384 0.000311 -0.000206 -0.000922 -0.000181 33O 1f+3 0.001344 -0.000263 0.000907 -0.000077 -0.000740 -0.005191 33O 1f-3 -0.002342 -0.000353 -0.000381 -0.001356 -0.000728 0.000891 34O 1s -0.001831 -0.000915 -0.001604 -0.003791 -0.008783 -0.005035 34O 2s -0.002666 -0.000581 -0.003722 -0.008924 -0.019674 -0.011898 34O 3s -0.023369 -0.023755 0.001667 0.011451 -0.001713 0.023310 34O 4s 0.226302 0.273306 -0.117195 0.059507 0.279109 0.161273 34O 5s -1.377667 -2.730355 1.981941 0.193339 -0.015715 -1.328280 34O 1pz 0.018138 0.008825 0.001174 -0.076364 0.020501 0.007601 34O 1px 0.021832 0.003010 -0.034188 -0.020513 -0.022497 0.004006 34O 1py -0.000983 -0.071575 0.027682 -0.007985 0.002593 0.032212 34O 2pz 0.068690 0.027647 -0.045708 -0.155778 0.077458 -0.006552 34O 2px -0.015169 -0.066786 -0.015609 -0.061739 -0.030966 -0.129735 34O 2py 0.064771 -0.144439 0.107686 0.031119 -0.042264 0.124505 34O 3pz 0.065608 -0.040098 0.268137 0.376950 -0.440646 0.349636 34O 3px -0.538778 -1.155660 1.574953 0.098034 0.843584 -0.913824 34O 3py 0.003523 0.758448 -1.075744 -0.542460 0.149499 -0.371263 34O 1dz2 -0.003900 -0.002582 0.005750 -0.000436 0.003092 -0.002710 34O 1dxz -0.004460 -0.001278 -0.000103 0.000527 0.003756 -0.002647 34O 1dyz 0.002458 0.002387 -0.000788 -0.001878 0.000810 -0.002921 34O 1dx2y2 -0.000049 0.003174 -0.009276 0.000655 -0.006201 0.003636 34O 1dxy -0.005102 -0.005060 0.006569 0.004700 -0.000264 0.001030 34O 2dz2 -0.029520 0.052080 -0.021594 -0.011302 -0.011232 0.041132 34O 2dxz -0.010340 -0.007694 -0.006838 0.004639 0.004730 -0.003265 34O 2dyz 0.020713 0.018946 -0.030628 -0.005979 0.021329 -0.022714 34O 2dx2y2 -0.038763 -0.017100 0.031997 -0.021683 0.023743 -0.063481 34O 2dxy 0.015585 0.042693 -0.033330 0.006188 -0.010682 0.031513 34O 1f0 -0.000488 0.000083 -0.000315 -0.000241 0.000549 -0.001820 34O 1f+1 -0.000519 0.002216 -0.002027 -0.000595 -0.000297 0.005009 34O 1f-1 0.000235 0.000095 -0.000058 0.000481 -0.000014 -0.000152 34O 1f+2 0.001405 0.002832 -0.002238 -0.000741 -0.000594 0.001966 34O 1f-2 0.000183 0.000841 -0.001268 0.000021 0.000209 -0.001650 34O 1f+3 -0.000073 0.001719 -0.002430 0.002759 -0.000559 0.006710 34O 1f-3 -0.002550 -0.001968 0.001332 0.000349 -0.000594 -0.001444 35O 1s -0.003225 -0.001078 -0.000824 -0.000809 -0.009337 -0.011777 35O 2s -0.006820 -0.003963 -0.002231 -0.001839 -0.021329 -0.026285 35O 3s -0.005016 0.030192 0.004854 0.000761 0.007660 0.010952 35O 4s 0.147798 -0.174496 -0.163060 0.031567 0.227616 0.492607 35O 5s -0.556924 1.886205 2.293219 -0.199420 0.424526 -2.901552 35O 1pz 0.015262 -0.055365 -0.042398 0.040729 0.000771 -0.014517 35O 1px 0.017182 0.002472 -0.045395 0.037172 -0.026557 0.007816 35O 1py -0.014879 -0.069103 0.019456 -0.026641 -0.021549 0.034328 35O 2pz 0.025669 -0.131745 -0.139425 0.051549 0.040806 -0.057549 35O 2px 0.009027 0.026874 -0.023472 0.049727 -0.047173 -0.145631 35O 2py -0.107213 -0.147411 0.046895 -0.048388 -0.032969 -0.019909 35O 3pz 0.133272 0.749682 0.882997 0.052348 -0.055797 0.096787 35O 3px -0.306298 0.489801 1.559333 -0.097158 0.965108 -1.287797 35O 3py 0.037414 0.607378 0.772360 -0.036039 0.367329 -0.529382 35O 1dz2 -0.004158 0.003159 0.005106 -0.000395 0.004146 -0.002781 35O 1dxz -0.002780 -0.005132 -0.005537 -0.002165 -0.000652 -0.000718 35O 1dyz 0.001451 0.000256 -0.000844 -0.000509 -0.000162 0.000114 35O 1dx2y2 -0.002857 0.000941 -0.008899 -0.003726 -0.006901 0.003336 35O 1dxy 0.004605 -0.000913 -0.006695 0.001455 -0.004330 0.002837 35O 2dz2 -0.027651 0.002134 0.007349 0.030278 -0.022780 0.037194 35O 2dxz -0.016594 0.015908 0.013239 -0.008281 0.007042 -0.032664 35O 2dyz 0.026383 0.035124 0.027060 -0.010202 -0.002324 -0.009040 35O 2dx2y2 -0.028188 0.003342 0.038446 -0.002574 0.008045 -0.047652 35O 2dxy -0.015966 0.018982 0.050931 0.004234 0.018682 -0.068416 35O 1f0 -0.000478 -0.001039 -0.000543 -0.000021 0.000218 0.000043 35O 1f+1 -0.000741 0.000298 -0.002544 0.001846 0.000563 0.005653 35O 1f-1 0.000356 0.002287 0.000847 0.000495 0.000796 0.000783 35O 1f+2 -0.000472 -0.000137 -0.001153 0.000754 -0.000328 -0.000392 35O 1f-2 0.000076 0.001672 0.001072 -0.000498 0.000004 0.000034 35O 1f+3 -0.001435 0.000198 -0.002390 -0.001020 -0.000565 0.003366 35O 1f-3 0.001460 -0.000714 -0.002093 0.001017 0.000378 0.007600 240 241 242 243 244 245 0.76740 0.77352 0.77941 0.78203 0.79459 0.80905 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s 0.000206 -0.000468 0.000000 0.003609 -0.000068 0.003521 0Rh 2s -0.001705 -0.000434 0.000152 -0.007414 0.001098 -0.006076 0Rh 3s 0.000153 -0.002999 0.000095 0.016491 0.000281 0.016804 0Rh 4s 0.008216 0.002962 -0.000758 0.030792 -0.005366 0.024284 0Rh 5s -0.015902 -0.022802 0.002255 0.033586 0.012173 0.048380 0Rh 6s 0.021319 0.082779 -0.005962 -0.313207 -0.021367 -0.335787 0Rh 7s -0.019658 -0.425080 -0.005424 1.447063 0.116714 1.365308 0Rh 8s -0.090386 -0.924902 0.316105 0.317118 0.075274 -0.381483 0Rh 1pz 0.001055 -0.003819 0.009667 0.002812 0.008006 0.006404 0Rh 1px 0.000839 0.010240 0.000954 -0.009173 -0.001874 -0.017876 0Rh 1py 0.003907 0.008384 -0.003034 0.001010 0.007356 0.001254 0Rh 2pz -0.003504 0.013090 -0.033170 -0.009668 -0.027623 -0.021449 0Rh 2px -0.002738 -0.034638 -0.003412 0.030876 0.006214 0.060527 0Rh 2py -0.013302 -0.028927 0.010438 -0.003430 -0.025794 -0.004497 0Rh 3pz 0.000205 -0.008834 0.022989 0.007071 0.022109 0.004283 0Rh 3px -0.001029 0.014233 0.005029 -0.009305 0.000059 -0.025074 0Rh 3py 0.007067 0.023285 -0.007720 0.001726 0.028814 0.006978 0Rh 4pz 0.016447 -0.032182 0.079043 0.022813 0.054824 0.092876 0Rh 4px 0.019491 0.120699 -0.001898 -0.123514 -0.032451 -0.215086 0Rh 4py 0.040163 0.056053 -0.022981 0.010049 0.018906 -0.005415 0Rh 5pz -0.014697 0.030994 -0.064029 -0.046190 -0.047085 -0.113974 0Rh 5px -0.045183 -0.131443 0.008289 0.172568 0.048229 0.287983 0Rh 5py -0.023044 -0.033573 0.014190 0.002211 0.012956 0.033461 0Rh 6pz -0.530159 -0.697795 0.240946 2.102767 1.182016 -0.347161 0Rh 6px 0.407115 -0.313851 0.138784 -0.784729 -0.198372 -2.004842 0Rh 6py -1.820494 0.587305 -0.049067 -0.822841 2.312620 0.002765 0Rh 1dz2 -0.011693 -0.017388 -0.055297 -0.013584 -0.003915 -0.024041 0Rh 1dxz 0.012265 -0.001617 -0.031510 -0.025688 0.000139 0.010349 0Rh 1dyz 0.008697 0.009191 0.029681 -0.001003 -0.001633 0.003005 0Rh 1dx2y2 -0.013345 -0.007747 -0.045257 -0.010422 0.009376 0.034794 0Rh 1dxy 0.003705 -0.002209 -0.001916 0.017620 -0.013875 0.008464 0Rh 2dz2 0.002353 0.003672 0.011678 0.002601 0.000109 0.005590 0Rh 2dxz -0.002139 0.001165 0.007033 0.006570 -0.000377 -0.001425 0Rh 2dyz -0.002475 -0.002654 -0.005947 0.000523 -0.002493 -0.000833 0Rh 2dx2y2 0.001754 0.000562 0.010012 0.001204 -0.001543 -0.009184 0Rh 2dxy -0.002583 0.000052 0.000578 -0.004305 0.002157 -0.002838 0Rh 3dz2 0.013601 0.019398 0.062100 0.016308 0.007579 0.024781 0Rh 3dxz -0.015612 -0.001674 0.033826 0.023949 0.001228 -0.015073 0Rh 3dyz -0.006767 -0.007268 -0.034742 -0.000218 0.013889 -0.002505 0Rh 3dx2y2 0.019502 0.013344 0.048887 0.016097 -0.012387 -0.031220 0Rh 3dxy 0.003475 0.004218 0.001410 -0.017226 0.018809 -0.005020 0Rh 4dz2 0.042948 0.068699 0.214281 0.049713 0.001653 0.102311 0Rh 4dxz -0.040359 0.018926 0.127005 0.115622 -0.004280 -0.028329 0Rh 4dyz -0.047609 -0.046169 -0.109132 0.008300 -0.036987 -0.016855 0Rh 4dx2y2 0.034664 0.012202 0.182157 0.026314 -0.030365 -0.164447 0Rh 4dxy -0.040602 0.002304 0.010580 -0.077587 0.044164 -0.048866 0Rh 5dz2 -0.049921 -0.166210 -0.456187 -0.085590 0.118143 -0.251782 0Rh 5dxz 0.061065 -0.103742 -0.278559 -0.297137 -0.000199 0.045632 0Rh 5dyz 0.263693 0.159494 0.188618 -0.034911 0.338581 0.119173 0Rh 5dx2y2 0.007493 0.088123 -0.413548 -0.046138 0.059210 0.468847 0Rh 5dxy 0.226606 0.037552 -0.046704 0.203627 -0.058143 0.176630 0Rh 1f0 -0.002068 -0.014653 0.000040 -0.002182 -0.001643 0.004161 0Rh 1f+1 0.001428 0.009451 0.004435 -0.005409 -0.003376 0.007072 0Rh 1f-1 -0.003620 0.001911 0.001330 0.002373 -0.003119 -0.000352 0Rh 1f+2 0.002287 0.017509 0.000178 -0.003040 -0.006774 0.001590 0Rh 1f-2 -0.003669 0.006974 -0.006171 -0.000290 0.007273 -0.004017 0Rh 1f+3 0.004546 0.016470 -0.009907 0.000466 -0.010550 0.002441 0Rh 1f-3 0.001708 0.008076 -0.003717 -0.000128 -0.003499 0.000567 1Rh 1s 0.000787 -0.000302 0.000102 -0.003462 -0.000143 -0.003625 1Rh 2s -0.002185 -0.000887 -0.000021 0.006865 0.001172 0.006322 1Rh 3s 0.003242 -0.002308 0.000583 -0.015967 -0.000109 -0.017255 1Rh 4s 0.009518 0.004944 -0.000071 -0.028304 -0.005607 -0.025341 1Rh 5s 0.000065 -0.022866 0.003692 -0.035535 0.010391 -0.048856 1Rh 6s -0.054459 0.072017 -0.015747 0.307315 -0.012712 0.344012 1Rh 7s 0.198701 -0.352960 0.031354 -1.411597 0.093353 -1.422304 1Rh 8s 0.452040 -0.957647 0.332221 -0.265392 0.065336 0.370924 1Rh 1pz -0.000199 0.003810 -0.009882 0.002225 -0.007792 0.008155 1Rh 1px 0.003911 -0.010588 -0.000499 -0.008879 0.001124 -0.017764 1Rh 1py 0.003522 -0.008680 0.002992 0.001434 -0.007416 0.001248 1Rh 2pz 0.000841 -0.013069 0.033898 -0.007642 0.026907 -0.027448 1Rh 2px -0.013338 0.035834 0.001873 0.029868 -0.003672 0.060128 1Rh 2py -0.011993 0.029949 -0.010296 -0.004902 0.026007 -0.004477 1Rh 3pz -0.003779 0.009026 -0.023329 0.005391 -0.021938 0.008230 1Rh 3px 0.007949 -0.015120 -0.004424 -0.008563 -0.001200 -0.024510 1Rh 3py 0.006482 -0.024110 0.007715 0.003051 -0.029081 0.006986 1Rh 4pz 0.011078 0.031251 -0.081414 0.019212 -0.051763 0.108323 1Rh 4px 0.035156 -0.123143 0.007451 -0.121671 0.023922 -0.215162 1Rh 4py 0.035298 -0.057977 0.022311 0.012322 -0.019011 -0.005570 1Rh 5pz -0.025261 -0.028585 0.066827 -0.045672 0.042607 -0.130494 1Rh 5px -0.020124 0.131247 -0.015497 0.175242 -0.038474 0.287844 1Rh 5py -0.014363 0.033581 -0.013930 0.001704 -0.012005 0.033804 1Rh 6pz -0.390743 0.663357 -0.272161 2.090113 -1.194101 -0.167520 1Rh 6px -0.035719 0.389077 -0.109839 -0.858752 0.171284 -1.947217 1Rh 6py -1.701155 -0.532121 0.087279 -0.752957 -2.382396 -0.013173 1Rh 1dz2 0.013683 -0.017102 -0.055909 0.012834 -0.003578 0.022627 1Rh 1dxz -0.007420 -0.001226 -0.031816 0.025638 -0.000028 -0.010967 1Rh 1dyz -0.007827 0.009216 0.029563 0.001498 -0.000881 -0.002169 1Rh 1dx2y2 0.004194 -0.008495 -0.044927 0.007992 0.008232 -0.035718 1Rh 1dxy -0.003462 -0.002522 -0.001103 -0.017130 -0.015398 -0.008484 1Rh 2dz2 -0.002275 0.003681 0.011801 -0.002391 -0.000003 -0.005218 1Rh 2dxz 0.001927 0.001134 0.007143 -0.006461 -0.000365 0.001532 1Rh 2dyz 0.002322 -0.002622 -0.005925 -0.000593 -0.002708 0.000733 1Rh 2dx2y2 -0.001214 0.000603 0.009915 -0.000855 -0.001273 0.009340 1Rh 2dxy 0.002000 0.000056 0.000370 0.004125 0.002493 0.002856 1Rh 3dz2 -0.017956 0.018788 0.062812 -0.015683 0.007383 -0.023504 1Rh 3dxz 0.006700 -0.002332 0.033979 -0.024320 0.001520 0.015884 1Rh 3dyz 0.005691 -0.007456 -0.034595 -0.000483 0.013288 0.001234 1Rh 3dx2y2 -0.003301 0.014679 0.048643 -0.012667 -0.011232 0.032434 1Rh 3dxy -0.001445 0.004828 0.000655 0.017007 0.020462 0.004985 1Rh 4dz2 -0.042621 0.068590 0.216589 -0.045971 -0.000371 -0.095600 1Rh 4dxz 0.034344 0.018165 0.128819 -0.113836 -0.004043 0.030265 1Rh 4dyz 0.044851 -0.045659 -0.108783 -0.009685 -0.040902 0.014801 1Rh 4dx2y2 -0.020485 0.013489 0.180404 -0.019367 -0.025419 0.167400 1Rh 4dxy 0.031335 0.002714 0.006851 0.074473 0.050286 0.049174 1Rh 5dz2 0.020211 -0.169998 -0.460298 0.074601 0.127319 0.229189 1Rh 5dxz -0.093292 -0.104487 -0.283978 0.287646 0.000194 -0.047690 1Rh 5dyz -0.257343 0.154262 0.189981 0.035646 0.355307 -0.122200 1Rh 5dx2y2 0.034243 0.089397 -0.408384 0.038446 0.047628 -0.470525 1Rh 5dxy -0.175184 0.038297 -0.035744 -0.192611 -0.071462 -0.178654 1Rh 1f0 0.000173 0.014787 -0.000058 -0.002093 0.001400 0.004705 1Rh 1f+1 0.000169 -0.009306 -0.004490 -0.005644 0.003443 0.006635 1Rh 1f-1 -0.004390 -0.001959 -0.001333 0.002188 0.002882 -0.000899 1Rh 1f+2 -0.001118 -0.017687 -0.000069 -0.003519 0.006738 0.001475 1Rh 1f-2 -0.004332 -0.006949 0.006235 -0.000160 -0.007143 -0.004057 1Rh 1f+3 0.000637 -0.016563 0.009837 0.000117 0.010357 0.001829 1Rh 1f-3 0.002560 -0.007910 0.003670 0.000323 0.003834 0.000335 2C 1s 0.004129 -0.000592 0.000237 -0.003600 0.004445 0.002581 2C 2s 0.011564 -0.002698 0.000930 -0.010148 0.013801 0.005344 2C 3s -0.021462 0.043443 -0.015393 0.040427 -0.058634 0.077067 2C 4s -0.300223 -0.202857 0.153400 0.021472 0.220110 -0.483160 2C 5s -3.630792 -0.439232 -1.017903 2.919854 -5.535708 -4.312521 2C 1pz -0.046903 0.002512 0.001433 0.041181 -0.044349 -0.016481 2C 1px 0.023384 -0.003871 -0.009351 0.002786 0.035667 0.012063 2C 1py -0.051692 0.008904 -0.000093 0.015064 -0.022611 -0.010474 2C 2pz -0.175123 -0.108335 0.046726 0.183565 -0.167179 -0.286088 2C 2px 0.232318 -0.043156 -0.039112 -0.042836 0.181563 -0.051355 2C 2py -0.306984 -0.066630 -0.006601 -0.067062 -0.115503 -0.176974 2C 3pz -1.353096 -0.216779 0.074677 0.671999 -0.960460 -0.751269 2C 3px 0.267495 -0.146304 -0.000610 -0.485908 -0.413900 -0.671851 2C 3py -0.298581 0.260161 -0.534986 0.854199 -1.003624 -0.966725 2C 1dz2 -0.003428 -0.004658 -0.002195 -0.002385 -0.001542 -0.000904 2C 1dxz -0.003278 -0.001714 -0.001107 -0.004036 0.002063 -0.001429 2C 1dyz -0.001220 0.001521 0.001388 0.004380 -0.002698 -0.003553 2C 1dx2y2 -0.003825 -0.002422 -0.001101 -0.001985 0.000431 0.003267 2C 1dxy -0.001802 -0.001091 -0.001286 0.000572 -0.000768 -0.001297 2C 2dz2 -0.302871 0.057864 0.280157 -0.161146 0.092310 0.123087 2C 2dxz -0.101756 0.114092 0.048698 -0.030156 -0.446313 -0.069292 2C 2dyz 0.175353 -0.106152 -0.195816 0.069008 0.017270 -0.131988 2C 2dx2y2 0.050072 0.081090 0.120252 -0.256255 0.065077 0.031982 2C 2dxy 0.058370 -0.081334 0.095314 -0.083265 -0.205350 0.007983 2C 1f0 -0.006145 0.009841 0.010038 -0.004441 0.008988 0.000659 2C 1f+1 0.005537 0.000073 0.000890 0.003161 -0.004480 -0.001738 2C 1f-1 -0.007240 -0.001973 0.001185 0.003532 -0.008865 -0.008617 2C 1f+2 0.001869 0.006450 0.006495 -0.001281 -0.004493 0.005430 2C 1f-2 -0.004650 0.003618 0.002390 -0.000302 -0.013417 -0.007051 2C 1f+3 -0.001801 0.002799 0.000266 -0.004062 -0.003793 0.001909 2C 1f-3 0.002711 -0.007272 -0.006018 0.000184 0.009671 0.001287 3C 1s -0.002173 -0.002812 0.000837 -0.006338 -0.003260 0.003868 3C 2s -0.006218 -0.009554 0.002583 -0.016297 -0.009890 0.010063 3C 3s 0.016838 0.066950 -0.017959 -0.005425 0.043967 0.012297 3C 4s 0.081059 -0.196264 -0.067147 0.471868 -0.169473 -0.195754 3C 5s 3.234738 2.143335 0.927049 4.827965 4.665391 -4.192600 3C 1pz 0.026821 0.029477 -0.018754 0.052781 0.045547 -0.046886 3C 1px 0.004265 -0.006819 0.016916 0.029089 -0.012497 0.015395 3C 1py -0.041188 -0.029220 0.003599 -0.023587 -0.021028 0.020242 3C 2pz 0.071871 0.097702 -0.062071 0.400051 0.229594 -0.301910 3C 2px -0.054329 -0.082373 0.067156 0.166131 -0.032230 -0.081575 3C 2py -0.136958 0.029221 -0.024716 -0.185991 -0.079985 0.161454 3C 3pz 1.214420 0.876237 0.306085 0.592284 0.537779 -0.254265 3C 3px 0.043507 0.378689 0.120835 0.123872 0.493876 -0.860422 3C 3py -0.548285 -0.169375 0.057965 -1.472783 -0.941815 0.805685 3C 1dz2 0.001729 0.001657 -0.002899 -0.003182 -0.002701 0.001133 3C 1dxz 0.002634 0.000975 -0.000907 -0.002132 -0.002103 0.000338 3C 1dyz -0.004661 -0.002640 0.000896 -0.002227 -0.001946 0.000372 3C 1dx2y2 0.004187 0.001915 -0.002310 -0.004606 -0.001618 0.001934 3C 1dxy -0.001675 0.000540 0.000857 -0.001539 -0.000465 0.000465 3C 2dz2 0.338836 0.060987 0.317449 -0.119159 -0.087202 0.151914 3C 2dxz 0.090194 0.085717 0.055495 -0.081419 0.177228 -0.035159 3C 2dyz -0.043052 0.185352 -0.219300 0.068247 0.092546 -0.138714 3C 2dx2y2 -0.077422 -0.041135 0.193617 -0.242721 -0.054284 0.099384 3C 2dxy 0.048909 -0.199299 -0.015941 -0.006080 -0.197412 0.235315 3C 1f0 -0.000532 -0.004960 0.006371 -0.009863 -0.004779 0.009812 3C 1f+1 0.001053 -0.007448 0.009335 0.000898 -0.004903 0.006635 3C 1f-1 -0.001135 0.007167 -0.015692 0.005647 -0.001166 -0.006529 3C 1f+2 -0.005909 -0.001286 -0.000735 -0.007727 -0.000648 0.004124 3C 1f-2 -0.000121 -0.001746 -0.004381 -0.006957 -0.003843 0.006108 3C 1f+3 -0.000618 0.003348 0.000381 -0.001951 0.008204 -0.005456 3C 1f-3 -0.003122 0.005795 0.000169 -0.002846 0.008760 -0.006839 4C 1s -0.015618 -0.005442 0.003283 0.010571 -0.009486 -0.010005 4C 2s -0.037579 -0.012614 0.007849 0.025624 -0.021104 -0.022726 4C 3s 0.208965 -0.059198 -0.005983 -0.120534 0.114779 -0.051599 4C 4s -0.949300 0.987592 -0.282906 0.531476 -0.624737 0.664323 4C 5s 0.271045 0.780774 0.351719 -0.854891 1.257563 3.197961 4C 1pz 0.083847 -0.018575 -0.019180 -0.036530 0.007357 -0.018591 4C 1px -0.013140 -0.022089 -0.018390 0.028805 0.112293 0.038381 4C 1py 0.023868 0.045074 0.019101 -0.044266 0.021293 0.025705 4C 2pz -0.108101 0.138250 -0.028494 -0.174363 -0.275582 -0.185610 4C 2px -0.027321 -0.123882 -0.138459 0.429322 0.433293 0.703719 4C 2py -0.081843 0.021582 -0.046123 0.086455 -0.004330 0.133993 4C 3pz -2.682744 0.364516 -0.454372 2.098986 -3.474075 -2.895193 4C 3px -1.899505 -0.056019 0.054197 1.555521 1.607717 0.808638 4C 3py -2.938954 -1.093405 0.008003 1.086604 -1.165759 -1.127076 4C 1dz2 0.004229 -0.009676 -0.015446 0.009318 -0.014401 -0.014284 4C 1dxz -0.001236 -0.009284 -0.005567 0.006042 0.009115 -0.001577 4C 1dyz -0.014113 0.005148 0.008316 0.000382 -0.011412 -0.005597 4C 1dx2y2 0.002862 0.001985 -0.013807 0.007693 0.005206 0.002476 4C 1dxy -0.004798 0.000576 -0.000404 0.008005 0.006021 0.004427 4C 2dz2 0.189782 0.221953 0.205104 -0.052482 0.174591 0.040272 4C 2dxz 0.276155 0.050231 -0.028659 0.075693 0.122812 0.142312 4C 2dyz 0.124549 -0.046402 -0.152169 -0.152070 0.175826 0.218245 4C 2dx2y2 -0.047728 0.235576 0.032784 0.065796 -0.216767 0.018288 4C 2dxy 0.036669 -0.000420 0.045439 0.082703 -0.129378 0.277344 4C 1f0 0.011992 -0.008645 -0.001937 0.003427 0.001161 -0.009964 4C 1f+1 0.014252 -0.013479 -0.003741 0.000764 0.017294 -0.009951 4C 1f-1 0.003112 -0.004118 0.001563 -0.006706 0.001222 -0.012199 4C 1f+2 -0.011859 0.010879 -0.000666 0.003319 -0.005282 0.003218 4C 1f-2 0.003679 0.000034 -0.000156 0.002160 0.005629 0.010665 4C 1f+3 -0.006502 -0.003573 0.000421 -0.002223 0.001527 -0.004502 4C 1f-3 -0.000457 0.001064 0.008998 -0.012106 0.009349 -0.015819 5C 1s 0.012667 0.001230 -0.001989 0.016066 0.011927 -0.006045 5C 2s 0.030406 0.002114 -0.004903 0.037250 0.027991 -0.013014 5C 3s -0.104625 -0.104740 0.065126 -0.091936 -0.129300 0.015664 5C 4s 0.286955 1.176653 -0.316585 0.182329 0.355224 -0.157359 5C 5s -1.150350 0.369375 -0.956629 -1.719071 -1.059674 1.518304 5C 1pz -0.061623 0.031384 -0.017444 -0.025106 -0.026458 -0.048055 5C 1px 0.015766 -0.036508 -0.027545 0.021458 -0.049493 0.049230 5C 1py 0.050800 0.037987 -0.040043 0.050544 0.025327 -0.000936 5C 2pz -0.020467 0.134979 -0.009677 -0.131402 0.195772 -0.343437 5C 2px -0.013498 -0.206287 -0.029386 0.532465 -0.361519 0.713772 5C 2py 0.103904 -0.171504 0.001487 0.041912 -0.167758 0.290804 5C 3pz 0.457687 0.229319 0.045349 2.198377 2.191699 -2.132346 5C 3px 1.948843 -0.631470 0.229869 2.346426 -0.755245 1.426854 5C 3py -2.619197 -2.204162 0.112184 -3.203560 -2.514382 2.554287 5C 1dz2 -0.013529 -0.002464 -0.017902 0.002165 0.002133 -0.006164 5C 1dxz -0.002799 -0.004817 -0.007159 0.007085 -0.000813 0.001143 5C 1dyz 0.001967 -0.009268 0.012574 -0.011099 -0.011617 0.013436 5C 1dx2y2 -0.005408 -0.002710 -0.011691 -0.000535 -0.011992 0.008229 5C 1dxy -0.007764 0.004460 -0.003642 -0.012429 0.002676 -0.004814 5C 2dz2 0.066474 -0.171771 0.271988 0.116891 0.079437 -0.089608 5C 2dxz -0.155280 -0.183943 0.040685 -0.031950 -0.100534 0.211524 5C 2dyz 0.090093 0.060219 -0.099257 0.233078 0.005508 -0.086085 5C 2dx2y2 -0.065668 0.089392 0.056924 0.323633 0.257582 -0.133154 5C 2dxy 0.079500 0.027038 -0.044206 0.030180 0.112365 -0.213124 5C 1f0 -0.004310 -0.000518 -0.001861 0.005993 -0.007006 0.004165 5C 1f+1 -0.000834 -0.003445 -0.003997 -0.002827 -0.004551 -0.005294 5C 1f-1 0.001718 -0.000846 0.001069 -0.002006 -0.004372 0.010703 5C 1f+2 0.006996 0.000174 0.001370 -0.000695 0.001432 0.006210 5C 1f-2 0.009054 0.012984 -0.002464 -0.009153 0.009788 -0.010034 5C 1f+3 0.005613 -0.013139 0.007879 -0.003213 -0.006137 0.004247 5C 1f-3 -0.001754 0.013908 -0.012865 0.007066 0.005810 0.003083 6C 1s -0.012560 0.001427 -0.001448 -0.016046 0.011393 0.005595 6C 2s -0.032009 0.002614 -0.003615 -0.037428 0.026747 0.011962 6C 3s 0.227525 -0.107194 0.060424 0.109374 -0.130323 -0.016935 6C 4s -1.046504 1.185241 -0.304984 -0.300896 0.381822 0.202397 6C 5s 0.618339 0.284886 -0.974601 1.684260 -0.958580 -1.604864 6C 1pz -0.073670 -0.030065 0.019099 -0.025769 0.024561 -0.046677 6C 1px 0.007077 0.034283 0.026722 0.019582 0.048632 0.050851 6C 1py 0.065239 -0.038486 0.037798 0.053109 -0.025147 0.001888 6C 2pz 0.061394 -0.131136 0.015575 -0.114643 -0.204334 -0.351820 6C 2px -0.013617 0.187998 0.011398 0.524120 0.377138 0.713866 6C 2py -0.020691 0.169475 -0.006650 0.021250 0.178000 0.302757 6C 3pz 0.573944 -0.271204 -0.076950 2.263004 -2.159251 -2.185507 6C 3px 1.767661 0.616067 -0.321743 2.260051 0.794212 1.478444 6C 3py -2.691822 2.285807 -0.027742 -3.269814 2.417087 2.560106 6C 1dz2 0.013977 -0.002766 -0.018120 -0.002397 0.002535 0.005477 6C 1dxz 0.005463 -0.004869 -0.007017 -0.006590 -0.000876 -0.001545 6C 1dyz 0.000646 -0.009256 0.012461 0.011948 -0.011583 -0.013543 6C 1dx2y2 0.000708 -0.002830 -0.011724 0.000058 -0.011553 -0.008466 6C 1dxy 0.005776 0.004243 -0.004055 0.011800 0.002945 0.005447 6C 2dz2 -0.024681 -0.175344 0.274990 -0.106405 0.075891 0.088840 6C 2dxz 0.184629 -0.182811 0.038190 0.038122 -0.104061 -0.199082 6C 2dyz -0.009729 0.065425 -0.093412 -0.224449 -0.007362 0.077761 6C 2dx2y2 0.035703 0.092982 0.063066 -0.330223 0.254760 0.145293 6C 2dxy -0.065545 0.021658 -0.044109 -0.026434 0.115563 0.213462 6C 1f0 -0.006000 0.000336 0.001734 0.005780 0.007378 0.004218 6C 1f+1 -0.005858 0.003929 0.004152 -0.003613 0.004431 -0.004577 6C 1f-1 0.001853 0.000657 -0.001129 -0.002031 0.004649 0.010496 6C 1f+2 0.009257 -0.000076 -0.001577 -0.000363 -0.001427 0.006043 6C 1f-2 0.017361 -0.012743 0.002561 -0.007955 -0.010558 -0.010307 6C 1f+3 -0.002956 0.013409 -0.007864 -0.004629 0.006567 0.004839 6C 1f-3 0.008395 -0.013873 0.012599 0.008606 -0.006295 0.003123 7C 1s 0.014162 -0.005873 0.003225 -0.010677 -0.008958 0.010267 7C 2s 0.032491 -0.013676 0.007760 -0.026097 -0.019897 0.023315 7C 3s -0.078351 -0.054675 -0.008262 0.138829 0.111522 0.042902 7C 4s 0.172092 0.983995 -0.262983 -0.646506 -0.606125 -0.594121 7C 5s -0.865912 0.759050 0.337965 0.754223 1.150489 -3.246572 7C 1pz 0.061355 0.016386 0.019497 -0.039094 -0.006865 -0.017169 7C 1px -0.017781 0.019481 0.018170 0.028455 -0.109928 0.039971 7C 1py 0.004641 -0.046372 -0.018219 -0.047339 -0.020998 0.027655 7C 2pz 0.005128 -0.134865 0.033965 -0.158277 0.261256 -0.197326 7C 2px -0.011328 0.103971 0.121457 0.434077 -0.411944 0.699277 7C 2py -0.013744 -0.025614 0.041831 0.097520 0.003297 0.122965 7C 3pz -2.378335 -0.318056 0.457873 2.123948 3.277330 -3.009540 7C 3px -1.644234 0.040433 -0.077706 1.587462 -1.539209 0.855891 7C 3py -2.666282 1.124395 0.010159 1.115318 1.069910 -1.217818 7C 1dz2 -0.002424 -0.009888 -0.015383 -0.009482 -0.014000 0.014464 7C 1dxz 0.003646 -0.009041 -0.005448 -0.005900 0.008697 0.000952 7C 1dyz 0.012445 0.004974 0.008000 -0.000415 -0.010763 0.006488 7C 1dx2y2 -0.006063 0.002039 -0.013370 -0.008613 0.004892 -0.002516 7C 1dxy 0.002900 0.000735 -0.000248 -0.008289 0.005878 -0.004658 7C 2dz2 -0.177715 0.222279 0.206911 0.058351 0.161269 -0.057529 7C 2dxz -0.225595 0.054448 -0.021287 -0.072785 0.112919 -0.143060 7C 2dyz -0.182516 -0.044297 -0.149105 0.138211 0.166570 -0.219568 7C 2dx2y2 -0.004573 0.236836 0.034606 -0.077702 -0.215688 -0.005277 7C 2dxy -0.078212 0.003840 0.048990 -0.081602 -0.129229 -0.269373 7C 1f0 0.006914 0.008496 0.001896 0.002833 -0.001145 -0.009473 7C 1f+1 0.003434 0.013294 0.003655 -0.000585 -0.016672 -0.008807 7C 1f-1 -0.000755 0.004115 -0.001272 -0.007272 -0.001289 -0.011654 7C 1f+2 -0.002802 -0.010649 0.000585 0.004757 0.005594 0.002893 7C 1f-2 0.002046 -0.000254 -0.000010 0.001820 -0.005303 0.010754 7C 1f+3 -0.006265 0.003777 -0.000272 -0.002206 -0.001434 -0.004188 7C 1f-3 -0.007700 -0.000830 -0.008439 -0.013491 -0.009394 -0.014740 8C 1s 0.001992 -0.002925 0.000696 0.006409 -0.003079 -0.003907 8C 2s 0.006337 -0.009854 0.002206 0.016625 -0.009471 -0.010250 8C 3s -0.052120 0.068418 -0.017800 -0.001822 0.045492 -0.008602 8C 4s 0.107446 -0.207890 -0.052543 -0.432958 -0.189862 0.160196 8C 5s -3.196989 2.329825 1.009260 -4.938069 4.546721 4.368190 8C 1pz 0.031283 -0.029425 0.017253 0.054306 -0.045230 -0.046862 8C 1px 0.004624 0.006808 -0.017847 0.027923 0.013973 0.018259 8C 1py -0.042034 0.029807 -0.002685 -0.024810 0.020704 0.021901 8C 2pz 0.058342 -0.094128 0.052759 0.400423 -0.226443 -0.296630 8C 2px -0.078368 0.080986 -0.068992 0.159490 0.039301 -0.069186 8C 2py -0.061556 -0.025078 0.028600 -0.176135 0.070743 0.162454 8C 3pz 1.188349 -0.908601 -0.332902 0.599478 -0.502123 -0.267234 8C 3px 0.047043 -0.382269 -0.116017 0.149384 -0.469813 -0.876284 8C 3py -0.543491 0.204299 -0.030765 -1.490565 0.916687 0.831975 8C 1dz2 -0.001506 0.001781 -0.002920 0.003162 -0.002779 -0.001354 8C 1dxz -0.002138 0.000950 -0.000884 0.002166 -0.002212 -0.000438 8C 1dyz 0.003756 -0.002815 0.000781 0.002161 -0.001726 -0.000163 8C 1dx2y2 -0.004140 0.001901 -0.002321 0.004527 -0.001592 -0.002031 8C 1dxy 0.001215 0.000650 0.000797 0.001476 -0.000422 -0.000474 8C 2dz2 -0.311727 0.067039 0.319860 0.129301 -0.095410 -0.149715 8C 2dxz -0.088297 0.088218 0.053366 0.078134 0.177487 0.052914 8C 2dyz 0.018315 0.181133 -0.218569 -0.077615 0.097740 0.134391 8C 2dx2y2 0.096174 -0.040074 0.188382 0.245825 -0.058681 -0.086726 8C 2dxy -0.031476 -0.200899 -0.013528 0.017930 -0.194583 -0.241457 8C 1f0 -0.000913 0.005005 -0.006258 -0.010103 0.004913 0.009646 8C 1f+1 0.000013 0.007494 -0.009346 0.000492 0.004988 0.006656 8C 1f-1 -0.000762 -0.007147 0.015633 0.005976 0.001086 -0.005864 8C 1f+2 -0.002402 0.001031 0.001091 -0.007025 0.000405 0.003841 8C 1f-2 0.002073 0.001938 0.004390 -0.006805 0.003585 0.006218 8C 1f+3 -0.001385 -0.003497 -0.000316 -0.001774 -0.008013 -0.006031 8C 1f-3 -0.002393 -0.005893 -0.000092 -0.002547 -0.008947 -0.007482 9C 1s -0.004046 -0.000560 0.000255 0.003619 0.004188 -0.002807 9C 2s -0.010613 -0.002620 0.000931 0.010308 0.013114 -0.006102 9C 3s -0.015947 0.043450 -0.013357 -0.046214 -0.058395 -0.071715 9C 4s 0.455938 -0.217123 0.136709 0.002772 0.229833 0.459142 9C 5s 3.427573 -0.412299 -0.987338 -2.921426 -5.246479 4.575486 9C 1pz -0.039397 -0.001356 -0.001374 0.042427 0.042803 -0.018460 9C 1px 0.021678 0.003661 0.007921 0.002672 -0.034170 0.014457 9C 1py -0.043862 -0.007989 0.000386 0.015764 0.019763 -0.013538 9C 2pz -0.218930 0.111280 -0.043306 0.178220 0.159161 -0.287613 9C 2px 0.176134 0.040211 0.034329 -0.048165 -0.177960 -0.036617 9C 2py -0.313251 0.072256 0.013831 -0.072243 0.093968 -0.188249 9C 3pz -1.247128 0.218608 -0.072860 0.669790 0.903206 -0.806479 9C 3px 0.159796 0.159929 0.009491 -0.505723 0.376066 -0.679134 9C 3py -0.273995 -0.253294 0.516811 0.866731 0.957108 -1.001580 9C 1dz2 0.003294 -0.004673 -0.002326 0.002408 -0.001260 0.000888 9C 1dxz 0.003087 -0.001821 -0.001261 0.004047 0.002065 0.001540 9C 1dyz 0.001884 0.001500 0.001448 -0.004243 -0.002673 0.003574 9C 1dx2y2 0.003054 -0.002411 -0.001141 0.001967 0.000482 -0.003194 9C 1dxy 0.001773 -0.001163 -0.001306 -0.000614 -0.000714 0.001410 9C 2dz2 0.274340 0.056864 0.274059 0.169464 0.099866 -0.118950 9C 2dxz 0.068718 0.109000 0.046566 0.027077 -0.429203 0.091182 9C 2dyz -0.149459 -0.103090 -0.189731 -0.072428 0.013319 0.127381 9C 2dx2y2 -0.024841 0.083097 0.115714 0.261663 0.067773 -0.032367 9C 2dxy -0.059407 -0.081494 0.091256 0.091021 -0.201864 0.000372 9C 1f0 -0.007060 -0.009925 -0.010104 -0.004948 -0.008818 0.001060 9C 1f+1 0.004801 -0.000253 -0.001023 0.002955 0.004080 -0.001731 9C 1f-1 -0.008253 0.002059 -0.001040 0.003353 0.008329 -0.009000 9C 1f+2 0.004669 -0.006244 -0.006298 -0.001088 0.004240 0.005249 9C 1f-2 -0.005732 -0.003460 -0.002146 -0.000551 0.012810 -0.007718 9C 1f+3 -0.000286 -0.002923 -0.000347 -0.003912 0.003814 0.001325 9C 1f-3 0.002125 0.007093 0.005783 0.000136 -0.009320 0.001868 10H 1s -0.016271 0.001436 0.004352 0.016188 0.011358 0.015598 10H 2s -0.367447 0.057589 0.123842 0.184830 -0.335486 0.137791 10H 3s -0.018145 0.134883 0.081341 0.053243 0.432881 0.396060 10H 1pz 0.006191 -0.001924 0.001103 -0.004636 -0.019070 -0.001261 10H 1px 0.023545 -0.006217 -0.004246 -0.016501 0.041754 -0.004633 10H 1py -0.002473 0.002976 0.003548 -0.018695 -0.013291 -0.000144 11H 1s -0.011792 0.006101 0.009372 -0.009396 0.008004 0.004728 11H 2s 0.321504 -0.180255 0.032754 -0.036978 0.500855 0.165438 11H 3s -0.047352 -0.045520 0.326607 -0.352234 0.567098 0.181493 11H 1pz 0.041046 -0.010148 -0.016950 0.016067 0.010069 0.000981 11H 1px 0.016664 -0.019512 -0.006556 0.000709 0.036669 0.007074 11H 1py -0.004235 -0.000968 -0.009189 0.005885 0.001684 -0.002475 12H 1s -0.001702 0.000217 -0.001601 0.004434 0.001927 -0.002861 12H 2s -0.043336 0.059551 -0.024253 -0.213139 0.390260 0.103219 12H 3s 0.278637 0.088603 -0.089539 -0.015552 0.387837 0.029678 12H 1pz -0.000736 0.001943 0.016291 -0.011213 0.004303 0.014642 12H 1px 0.010194 0.010191 0.000132 -0.008440 0.018789 0.001910 12H 1py -0.011828 0.001699 0.004716 -0.023766 0.016513 0.013652 13H 1s 0.013047 0.001880 -0.004935 0.011009 -0.007423 0.015589 13H 2s 0.135082 0.250818 -0.235995 0.037541 0.251477 -0.114899 13H 3s 0.061677 0.019549 -0.068728 -0.161669 -0.330033 0.481556 13H 1pz -0.011253 0.019055 -0.014288 0.004018 0.027071 -0.025348 13H 1px -0.014989 -0.017907 0.006219 -0.004114 -0.024435 0.007897 13H 1py 0.012485 0.001993 -0.000088 0.014298 0.001670 0.001797 14H 1s 0.012073 0.008047 -0.000913 -0.007303 -0.002317 0.000380 14H 2s 0.036388 -0.057523 -0.012013 0.143672 -0.218841 0.067825 14H 3s -0.005727 0.056973 -0.026828 -0.328733 -0.432247 0.287308 14H 1pz -0.009472 -0.008615 -0.006404 0.018669 0.001928 -0.002103 14H 1px -0.004084 -0.004751 -0.004438 0.010693 -0.014052 -0.001663 14H 1py 0.020809 0.009663 0.013317 0.005026 0.003830 -0.000219 15H 1s -0.006151 0.002121 -0.011930 0.002584 -0.011177 -0.002361 15H 2s -0.148435 -0.367391 0.115626 -0.378204 -0.385990 0.417950 15H 3s -0.404631 -0.386063 -0.341740 0.045386 -0.413285 0.205811 15H 1pz 0.017218 0.019420 -0.000490 0.005994 0.013306 -0.012434 15H 1px 0.009462 -0.021621 0.014534 -0.003956 -0.018163 0.022210 15H 1py -0.003156 0.018078 -0.028148 0.037021 0.004950 -0.023518 16H 1s 0.011611 0.004853 -0.004590 0.009357 0.016196 0.015875 16H 2s 0.113994 0.220612 -0.026892 0.146432 -0.069641 0.246694 16H 3s -0.050457 0.117453 0.029778 0.083029 0.033756 0.101440 16H 1pz -0.004633 0.003142 0.008508 0.007881 -0.006837 -0.017234 16H 1px 0.011292 -0.007775 0.004004 0.013044 0.037771 0.009723 16H 1py 0.004440 0.020991 -0.009738 0.002737 0.000004 0.037302 17H 1s 0.003017 -0.000834 0.006918 0.011992 -0.019836 0.003182 17H 2s 0.122591 0.132566 -0.037122 0.107625 -0.120912 0.259754 17H 3s 0.091118 0.067129 -0.156044 -0.073105 -0.031063 0.281579 17H 1pz -0.003210 -0.001007 -0.000445 0.010444 0.004403 -0.002152 17H 1px 0.000999 -0.005330 0.009273 0.018680 -0.022839 0.003514 17H 1py 0.001519 0.012996 -0.005385 0.015662 -0.009854 0.031124 18H 1s 0.001511 0.000470 0.007419 -0.010757 -0.019924 -0.002539 18H 2s 0.043514 0.146747 -0.033148 -0.084191 -0.127226 -0.265540 18H 3s -0.135301 0.067670 -0.161206 0.063616 -0.037025 -0.274139 18H 1pz -0.003631 0.001296 0.000326 0.009947 -0.004436 -0.001627 18H 1px 0.001127 0.005239 -0.010122 0.017946 0.023413 0.000607 18H 1py -0.011475 -0.014000 0.005005 0.014053 0.011427 0.031019 19H 1s -0.004591 0.006039 -0.004672 -0.008298 0.015830 -0.016719 19H 2s 0.067664 0.231522 -0.023696 -0.122673 -0.070353 -0.243145 19H 3s 0.033200 0.129739 0.031701 -0.081558 0.038014 -0.114305 19H 1pz -0.006849 -0.001946 -0.009020 0.007400 0.005487 -0.018536 19H 1px 0.007583 0.007234 -0.004253 0.012083 -0.037146 0.012557 19H 1py -0.008897 -0.022391 0.009489 0.001705 0.000493 0.037437 20H 1s 0.005337 0.001345 -0.011830 -0.002488 -0.010765 0.001741 20H 2s 0.163334 -0.372167 0.107461 0.390213 -0.385246 -0.417493 20H 3s 0.417546 -0.408043 -0.338971 -0.030171 -0.410540 -0.238147 20H 1pz 0.017232 -0.019468 0.000069 0.006429 -0.013119 -0.012018 20H 1px 0.007569 0.021837 -0.014809 -0.005020 0.018211 0.022127 20H 1py -0.002743 -0.016979 0.027173 0.037250 -0.005368 -0.022025 21H 1s -0.011766 0.007374 -0.000652 0.007359 -0.002479 -0.001144 21H 2s -0.063869 -0.068449 -0.005413 -0.139883 -0.221424 -0.102176 21H 3s 0.028287 0.039029 -0.024913 0.338592 -0.441419 -0.302321 21H 1pz -0.006578 0.008842 0.006118 0.019039 -0.002501 -0.001570 21H 1px -0.001512 0.004717 0.004458 0.010819 0.014106 -0.000102 21H 1py 0.020001 -0.009259 -0.013965 0.004944 -0.002875 -0.000126 22H 1s -0.012195 0.001653 -0.004180 -0.010568 -0.007655 -0.016507 22H 2s -0.190250 0.247416 -0.230569 -0.051730 0.259871 0.122551 22H 3s -0.065160 0.009962 -0.065261 0.174707 -0.328326 -0.508244 22H 1pz -0.005287 -0.018906 0.014417 0.005721 -0.027579 -0.025954 22H 1px -0.018212 0.018692 -0.006056 -0.005186 0.024847 0.009128 22H 1py 0.011500 -0.002384 -0.000352 0.014121 -0.001170 0.002632 23H 1s 0.000425 -0.000602 -0.001801 -0.004933 0.002051 0.002896 23H 2s 0.021998 0.050328 -0.024030 0.210733 0.388848 -0.113026 23H 3s -0.240959 0.073977 -0.090663 0.009871 0.373058 -0.061379 23H 1pz -0.001420 -0.002481 -0.015873 -0.011980 -0.003881 0.015186 23H 1px 0.008658 -0.010515 -0.000419 -0.008446 -0.018688 0.003088 23H 1py -0.009424 -0.001882 -0.004651 -0.024235 -0.016885 0.013633 24H 1s 0.010074 0.005197 0.008837 0.009387 0.007838 -0.005060 24H 2s -0.293618 -0.182310 0.036641 0.037356 0.474866 -0.200166 24H 3s 0.075103 -0.058537 0.309084 0.362707 0.549733 -0.200415 24H 1pz 0.038019 0.009030 0.015814 0.016543 -0.008913 0.002256 24H 1px 0.014914 0.019231 0.006112 0.000736 -0.035024 0.008567 24H 1py -0.003694 0.001230 0.009151 0.006124 -0.002285 -0.002916 25H 1s 0.014360 0.001081 0.004611 -0.016352 0.010828 -0.016066 25H 2s 0.254147 0.045834 0.115334 -0.198411 -0.327224 -0.116068 25H 3s -0.028673 0.129766 0.083765 -0.058953 0.407341 -0.418539 25H 1pz 0.009170 0.002348 -0.000733 -0.003915 0.019416 -0.002285 25H 1px 0.014798 0.006054 0.003955 -0.017269 -0.040392 -0.002384 25H 1py -0.000160 -0.002679 -0.002940 -0.018703 0.011838 -0.000915 26O 1s 0.004311 0.003009 0.003512 -0.004236 0.008636 -0.009527 26O 2s 0.009119 0.006261 0.007834 -0.008032 0.019754 -0.018152 26O 3s 0.010230 0.009638 -0.001550 -0.024275 -0.017020 -0.048673 26O 4s -0.289642 -0.130830 -0.134998 0.346295 -0.153298 0.670357 26O 5s 2.098627 0.113397 0.448609 -1.917932 0.549479 -2.633514 26O 1pz 0.016014 0.032593 -0.019043 -0.044068 0.004121 -0.012966 26O 1px 0.021450 -0.018812 -0.005493 -0.038264 0.030645 0.041563 26O 1py 0.040470 -0.054742 -0.004821 -0.003509 0.016112 -0.006931 26O 2pz 0.058530 0.104295 -0.037079 -0.032682 -0.092098 -0.001557 26O 2px 0.002034 -0.005177 -0.037067 0.012536 -0.040845 0.234805 26O 2py 0.040306 -0.162026 -0.024771 0.021609 -0.042038 0.053530 26O 3pz -0.559861 -0.349001 0.135059 0.009777 0.714703 0.230126 26O 3px -0.845540 0.136518 -0.229859 0.834999 0.088693 0.653761 26O 3py -0.318986 0.840938 0.022170 0.467968 0.315801 0.309720 26O 1dz2 0.003483 -0.001802 0.005173 -0.001226 -0.001565 -0.003646 26O 1dxz -0.004587 -0.002864 0.003173 0.001946 0.000678 -0.000097 26O 1dyz 0.000536 -0.000736 -0.002390 -0.000999 0.002189 0.002159 26O 1dx2y2 -0.000989 -0.002151 0.001117 0.003496 0.001042 0.006374 26O 1dxy 0.000330 0.006978 -0.001896 0.003904 0.003226 0.004262 26O 2dz2 0.018848 0.045085 0.016269 0.026623 -0.029901 0.043153 26O 2dxz 0.008545 0.015740 0.013022 -0.001410 0.013935 0.010680 26O 2dyz 0.029243 -0.032717 -0.008989 -0.015102 -0.002445 0.023578 26O 2dx2y2 0.028460 0.009678 0.025843 -0.027172 0.007689 -0.021612 26O 2dxy 0.041050 0.004390 0.002376 -0.025886 0.027698 -0.012370 26O 1f0 0.000138 0.002180 0.000627 -0.001349 0.001425 0.000825 26O 1f+1 0.000258 0.000557 -0.000170 -0.002057 0.001413 -0.002370 26O 1f-1 -0.001097 -0.000692 0.000203 0.000481 0.001285 0.001380 26O 1f+2 0.000156 -0.000794 -0.000527 -0.000691 -0.002197 -0.000494 26O 1f-2 -0.001491 -0.001012 0.000663 0.001578 -0.000196 0.000310 26O 1f+3 0.000855 0.002391 0.001377 -0.001174 -0.000658 -0.000829 26O 1f-3 0.002888 -0.001398 0.000222 -0.001226 0.001165 -0.003355 27O 1s 0.002693 -0.003633 0.000989 -0.004435 -0.001012 -0.009813 27O 2s 0.005553 -0.008362 0.002499 -0.008495 -0.002254 -0.018655 27O 3s 0.003102 0.009597 -0.009162 -0.023663 0.004144 -0.057709 27O 4s -0.060164 0.079867 0.009466 0.345478 -0.029954 0.707680 27O 5s -0.566235 -0.643113 0.256275 -2.241493 -0.136361 -2.274145 27O 1pz 0.011887 -0.034204 0.002475 -0.027362 -0.011137 -0.003323 27O 1px -0.033028 -0.058236 -0.003417 -0.050128 -0.024195 0.064255 27O 1py 0.045657 -0.029658 0.021883 0.014811 0.014573 0.010465 27O 2pz -0.007901 -0.100458 0.021032 -0.015682 0.023939 -0.035319 27O 2px -0.111005 -0.055839 -0.034238 0.017005 -0.008501 0.205388 27O 2py 0.125951 -0.143234 0.073512 -0.021883 -0.043393 0.035063 27O 3pz 0.411019 0.408814 -0.161703 -0.236025 -0.485917 0.168442 27O 3px 0.606687 0.633076 -0.191845 1.044530 -0.085825 0.248683 27O 3py -0.467903 0.554471 -0.232859 -0.175811 0.347296 -0.414416 27O 1dz2 -0.000353 -0.000727 0.004280 -0.000283 0.004904 -0.003174 27O 1dxz 0.003179 0.003979 0.001369 0.000530 -0.000951 -0.002871 27O 1dyz 0.002339 -0.000416 -0.002216 0.001292 -0.000323 0.000805 27O 1dx2y2 0.002201 0.004593 0.001656 0.005376 -0.001507 0.003510 27O 1dxy 0.000822 0.003186 -0.000629 -0.003498 0.002209 -0.000380 27O 2dz2 0.020537 -0.008055 0.017721 0.041078 -0.003822 0.003378 27O 2dxz 0.006895 -0.000506 0.017713 0.004929 -0.005190 0.019946 27O 2dyz 0.029423 0.017064 -0.023929 0.014565 -0.008452 -0.019476 27O 2dx2y2 0.004394 -0.036084 0.028917 -0.022867 -0.020297 -0.018746 27O 2dxy 0.017921 0.018200 -0.000841 0.018963 0.022390 -0.021254 27O 1f0 -0.000473 -0.001036 0.000794 -0.000687 -0.000047 -0.000739 27O 1f+1 0.000261 -0.001250 0.000583 -0.002769 -0.000942 -0.001154 27O 1f-1 -0.000492 0.000101 -0.000640 0.001317 0.000641 -0.000685 27O 1f+2 -0.001315 0.001395 -0.000937 0.000029 -0.000149 -0.003770 27O 1f-2 -0.001801 0.000010 0.000323 -0.000866 0.001094 -0.001038 27O 1f+3 0.000035 -0.000880 0.001580 -0.000075 -0.000134 -0.000862 27O 1f-3 -0.000020 -0.000549 0.000847 0.001280 0.000754 0.000579 28O 1s 0.000754 -0.002011 -0.002514 0.005329 -0.002655 0.006434 28O 2s 0.003567 -0.005075 -0.006012 0.009117 -0.006412 0.011878 28O 3s -0.038725 0.014065 0.009162 0.047503 0.006076 0.045296 28O 4s 0.125637 0.047375 0.029737 -0.436618 -0.044958 -0.489406 28O 5s 0.584421 -0.602756 -0.027147 1.160727 2.104661 1.886305 28O 1pz 0.037735 0.016206 0.009438 -0.065811 0.082553 0.002796 28O 1px -0.086203 0.040669 -0.009505 0.036086 0.018616 0.004114 28O 1py 0.034472 -0.032482 0.009703 0.023962 0.067111 -0.015171 28O 2pz -0.032922 0.075212 0.042691 -0.180863 0.170383 -0.078149 28O 2px -0.123471 0.046632 -0.029002 0.110085 0.109899 0.055340 28O 2py 0.012359 -0.119178 0.009841 0.032191 0.186714 -0.070524 28O 3pz -0.230669 0.227197 -0.261368 0.243299 -1.889564 -0.107935 28O 3px 1.089170 -0.695417 -0.013357 -0.118558 0.599098 0.492348 28O 3py 0.279405 0.783686 0.144784 0.109994 -1.079144 0.256810 28O 1dz2 0.000646 -0.000290 0.000002 -0.000869 -0.001965 -0.001032 28O 1dxz 0.003100 -0.003816 0.002560 0.001772 0.009744 0.003210 28O 1dyz 0.000074 0.002090 -0.000091 -0.000427 -0.002141 0.001710 28O 1dx2y2 -0.001157 0.005499 0.002372 -0.000739 -0.001731 -0.001569 28O 1dxy -0.000804 -0.004503 -0.002148 -0.001941 0.006509 -0.000202 28O 2dz2 0.020508 0.023196 0.029522 -0.033115 0.019375 0.001778 28O 2dxz -0.055362 0.031611 0.017049 0.000200 -0.033138 -0.005843 28O 2dyz 0.036197 -0.026042 -0.020722 -0.025645 0.039777 -0.003514 28O 2dx2y2 0.025852 0.004724 0.017388 -0.011400 0.002815 0.024542 28O 2dxy -0.009943 -0.002964 0.004598 -0.010454 0.002550 0.010529 28O 1f0 0.000310 -0.001173 -0.000026 -0.000981 0.000325 -0.000103 28O 1f+1 0.000803 0.000907 0.002090 0.000033 0.000580 0.002104 28O 1f-1 0.001553 0.000302 0.000358 -0.001204 -0.002932 -0.001396 28O 1f+2 -0.003612 0.000900 0.001404 -0.000038 -0.000608 0.000475 28O 1f-2 0.001540 -0.001680 -0.001666 -0.000233 0.000965 0.000400 28O 1f+3 -0.001537 0.000724 -0.000162 -0.000398 -0.001519 0.000359 28O 1f-3 0.000605 -0.001408 -0.001954 0.001448 0.000680 -0.001014 29O 1s -0.004054 -0.008393 0.002087 0.001888 0.002496 0.001245 29O 2s -0.008582 -0.019656 0.004924 0.005392 0.005558 0.005145 29O 3s -0.009559 0.015935 -0.004056 -0.019133 0.001749 -0.039063 29O 4s 0.212436 0.263590 -0.066102 0.014733 -0.122363 0.156959 29O 5s -0.482903 -0.516466 0.134524 0.054564 0.307654 -0.336441 29O 1pz 0.019597 0.014464 -0.014022 -0.024066 -0.008903 -0.004355 29O 1px -0.021309 -0.058846 0.002095 -0.000547 0.016412 0.036648 29O 1py 0.010576 -0.018594 0.012097 -0.002424 0.006877 -0.025246 29O 2pz 0.037520 0.021651 -0.021003 -0.013765 -0.026520 0.004738 29O 2px -0.038545 -0.114324 0.003878 -0.032005 0.025092 -0.007453 29O 2py 0.002046 -0.019286 0.021173 -0.011821 0.029840 -0.052955 29O 3pz -0.083165 0.112073 0.064121 0.067311 0.017090 0.091287 29O 3px 0.039457 0.189329 0.037368 -0.078717 -0.041694 -0.234758 29O 3py 0.199651 0.171490 -0.087200 0.127621 -0.278249 0.329756 29O 1dz2 0.000655 0.001908 0.000160 0.002237 0.000887 0.001612 29O 1dxz 0.000983 0.000930 -0.000732 -0.001001 -0.002592 0.001433 29O 1dyz -0.000771 0.001066 0.000025 0.000674 0.001317 0.000334 29O 1dx2y2 -0.000365 0.000449 -0.000086 -0.000510 -0.000072 0.000942 29O 1dxy 0.000816 -0.000577 0.000438 -0.000360 -0.001026 -0.002668 29O 2dz2 0.013967 0.005926 -0.019346 -0.009915 0.004788 0.012829 29O 2dxz -0.007251 0.005653 0.005029 -0.007859 -0.032332 -0.036258 29O 2dyz -0.001899 -0.004960 0.006541 0.001725 0.001098 -0.010406 29O 2dx2y2 0.000676 0.000547 -0.001130 0.037817 -0.011534 0.054194 29O 2dxy -0.006090 0.002359 -0.006781 -0.004530 -0.001639 0.019101 29O 1f0 0.000021 0.001490 -0.000533 -0.000363 -0.000580 0.000132 29O 1f+1 -0.000461 -0.000837 0.000953 0.000780 -0.000726 -0.001101 29O 1f-1 -0.000262 0.000260 0.000695 -0.000117 -0.001373 -0.000887 29O 1f+2 0.000552 -0.001112 -0.000096 -0.000225 0.000764 0.000949 29O 1f-2 -0.000158 0.000642 -0.001059 -0.000935 0.001608 0.001633 29O 1f+3 -0.000176 -0.001357 0.000103 0.001348 -0.000774 0.000444 29O 1f-3 -0.001034 -0.000527 0.000158 0.000481 0.000706 0.000511 30O 1s -0.001478 0.000532 -0.001607 0.004388 -0.005667 0.008963 30O 2s -0.004528 0.001216 -0.003267 0.007178 -0.012515 0.017023 30O 3s 0.023238 0.002726 -0.007525 0.044030 0.001322 0.051443 30O 4s -0.064876 0.058190 0.081886 -0.400937 0.276065 -0.671401 30O 5s 0.092239 -1.527676 0.177761 0.912418 -2.218599 3.326288 30O 1pz 0.001431 -0.088104 0.044174 -0.043758 -0.014813 0.033374 30O 1px 0.054270 0.008436 -0.006210 0.045697 -0.033054 0.021530 30O 1py 0.059997 0.026195 -0.022946 0.020568 0.072916 -0.020993 30O 2pz 0.030954 -0.192696 0.099305 -0.115268 0.013627 -0.012503 30O 2px 0.109699 -0.063183 0.019147 0.133215 -0.163884 0.154475 30O 2py 0.040626 0.012772 -0.009122 0.072051 0.144032 0.037692 30O 3pz -0.034117 1.416181 -0.664147 -0.041686 0.681292 -0.716067 30O 3px -0.604178 -0.440915 -0.042569 -0.151548 -0.193605 0.564845 30O 3py 0.163402 -0.824517 0.060849 -0.132064 -1.292484 0.894424 30O 1dz2 -0.002735 0.003404 -0.001541 0.000459 -0.002457 0.000717 30O 1dxz -0.000051 -0.007683 0.004451 0.003862 -0.002395 0.004825 30O 1dyz 0.001501 -0.004792 -0.000288 0.002791 -0.001196 0.003132 30O 1dx2y2 0.000108 0.000798 0.002136 -0.002519 -0.003608 0.000364 30O 1dxy -0.000364 0.005129 0.001271 0.000820 0.007141 -0.008189 30O 2dz2 0.010605 0.003340 0.036338 0.003239 0.018697 -0.007338 30O 2dxz 0.017847 0.007870 0.008475 -0.001662 0.052464 -0.020471 30O 2dyz 0.026333 0.048342 -0.030188 0.048465 0.024379 -0.019686 30O 2dx2y2 -0.001568 -0.009995 0.026743 0.010277 0.029152 0.024072 30O 2dxy -0.021364 -0.019715 0.012301 0.018822 -0.010180 0.010136 30O 1f0 0.000596 -0.002056 0.000697 0.001070 -0.003199 0.002921 30O 1f+1 0.001725 -0.000869 0.003347 0.000420 0.000565 0.000294 30O 1f-1 -0.000318 -0.001088 0.000379 0.000791 -0.000486 0.001066 30O 1f+2 0.000678 0.000205 -0.000576 0.000641 -0.000988 0.002208 30O 1f-2 0.001180 0.000647 -0.001651 0.000909 0.001868 -0.001135 30O 1f+3 -0.001121 0.000666 -0.001688 -0.001123 -0.001478 -0.000068 30O 1f-3 0.002116 0.000131 0.000885 -0.001529 0.002430 0.000240 31O 1s 0.004571 0.000118 -0.001379 -0.004040 -0.006220 -0.008646 31O 2s 0.011618 0.000249 -0.002869 -0.006404 -0.013645 -0.016331 31O 3s -0.029769 0.003356 -0.005580 -0.044350 -0.000223 -0.051146 31O 4s -0.052746 0.068230 0.063207 0.381490 0.305560 0.661093 31O 5s 0.595761 -1.526507 0.226726 -0.770424 -2.308281 -3.319721 31O 1pz -0.000553 0.086313 -0.043227 -0.045210 0.015529 0.033601 31O 1px 0.051857 -0.007509 0.003977 0.044651 0.034726 0.021918 31O 1py 0.055144 -0.027127 0.021634 0.023076 -0.071407 -0.024383 31O 2pz 0.046463 0.191198 -0.096692 -0.116608 -0.015790 -0.011547 31O 2px 0.067060 0.065934 -0.025513 0.123646 0.172172 0.155517 31O 2py 0.008073 -0.017220 0.006561 0.075053 -0.136029 0.026965 31O 3pz 0.168552 -1.410375 0.669432 0.019654 -0.691143 -0.737202 31O 3px -0.862925 0.412778 0.054376 -0.184972 0.204309 0.575329 31O 3py -0.015478 0.834398 -0.066510 -0.204877 1.290231 0.972671 31O 1dz2 0.003510 0.003488 -0.001579 -0.000346 -0.002531 -0.000493 31O 1dxz 0.001194 -0.007561 0.004574 -0.003532 -0.002560 -0.004889 31O 1dyz -0.000354 -0.004671 -0.000193 -0.002525 -0.001383 -0.003505 31O 1dx2y2 -0.000759 0.000699 0.002064 0.002568 -0.003500 -0.000166 31O 1dxy -0.000760 0.005052 0.001234 -0.001202 0.007213 0.008495 31O 2dz2 -0.009569 0.003351 0.036637 -0.002515 0.017564 0.008506 31O 2dxz -0.032767 0.007302 0.008723 -0.000214 0.052878 0.020185 31O 2dyz -0.038751 0.048599 -0.028742 -0.051232 0.023934 0.019565 31O 2dx2y2 0.003486 -0.010363 0.027468 -0.009784 0.027757 -0.023760 31O 2dxy 0.038355 -0.019084 0.012436 -0.016338 -0.011582 -0.011231 31O 1f0 -0.000850 0.002057 -0.000749 0.000810 0.003288 0.002989 31O 1f+1 0.001415 0.000859 -0.003389 0.000340 -0.000471 0.000251 31O 1f-1 -0.000117 0.001120 -0.000410 0.000785 0.000474 0.000969 31O 1f+2 0.001735 -0.000173 0.000527 0.000726 0.000945 0.002204 31O 1f-2 0.002845 -0.000671 0.001609 0.001156 -0.001953 -0.001143 31O 1f+3 -0.001077 -0.000653 0.001731 -0.001083 0.001455 -0.000097 31O 1f-3 0.003740 -0.000138 -0.000901 -0.001306 -0.002479 0.000270 32O 1s -0.001132 -0.008544 0.002166 -0.002413 0.002433 -0.001438 32O 2s -0.001482 -0.020064 0.005164 -0.006349 0.005291 -0.005632 32O 3s -0.016710 0.017163 -0.005121 0.015386 0.003963 0.039942 32O 4s 0.134926 0.264298 -0.064371 0.026851 -0.129890 -0.154475 32O 5s -0.328421 -0.516106 0.134721 -0.156549 0.318063 0.340182 32O 1pz 0.015876 -0.014914 0.015226 -0.023921 0.009417 -0.005636 32O 1px -0.005090 0.061988 -0.002301 0.001371 -0.014802 0.038404 32O 1py 0.011429 0.019592 -0.011977 -0.002647 -0.006871 -0.024850 32O 2pz 0.017581 -0.021008 0.021909 -0.015060 0.028327 0.002512 32O 2px 0.029699 0.118794 -0.002351 -0.024312 -0.025236 -0.004856 32O 2py -0.008583 0.022259 -0.020911 -0.013148 -0.029920 -0.052513 32O 3pz -0.054972 -0.116059 -0.068430 0.066835 -0.028412 0.076614 32O 3px -0.152075 -0.178822 -0.038713 -0.099377 0.038139 -0.248339 32O 3py 0.066347 -0.192044 0.082020 0.108644 0.283119 0.330547 32O 1dz2 0.001035 0.002036 0.000161 -0.001965 0.000917 -0.001763 32O 1dxz -0.000345 0.001029 -0.000755 0.001075 -0.002659 -0.001289 32O 1dyz 0.001011 0.001145 0.000019 -0.000705 0.001355 -0.000361 32O 1dx2y2 0.000740 0.000350 -0.000084 0.000538 -0.000153 -0.000876 32O 1dxy -0.001599 -0.000640 0.000433 0.000282 -0.001094 0.002702 32O 2dz2 -0.011632 0.007189 -0.019810 0.010326 0.002868 -0.014061 32O 2dxz 0.002295 0.005667 0.004697 0.007659 -0.030970 0.038707 32O 2dyz 0.000178 -0.004490 0.006022 -0.002060 0.001085 0.008960 32O 2dx2y2 0.013746 0.001270 0.000525 -0.035850 -0.013922 -0.053822 32O 2dxy 0.007774 0.002693 -0.006967 0.003751 -0.002186 -0.020007 32O 1f0 -0.000636 -0.001476 0.000561 -0.000414 0.000531 0.000160 32O 1f+1 0.000031 0.000908 -0.000998 0.000831 0.000682 -0.001192 32O 1f-1 -0.000683 -0.000256 -0.000666 -0.000223 0.001276 -0.000859 32O 1f+2 0.000790 0.001105 0.000101 -0.000183 -0.000752 0.001051 32O 1f-2 -0.000528 -0.000621 0.001091 -0.000949 -0.001589 0.001694 32O 1f+3 -0.000225 0.001302 -0.000115 0.001251 0.000807 0.000477 32O 1f-3 -0.000937 0.000547 -0.000180 0.000552 -0.000685 0.000530 33O 1s 0.000918 -0.002214 -0.002289 -0.005159 -0.003081 -0.005851 33O 2s 0.000307 -0.005520 -0.005573 -0.008723 -0.007262 -0.010599 33O 3s 0.032877 0.013842 0.010159 -0.048245 0.004210 -0.044673 33O 4s -0.193095 0.052687 0.016672 0.429034 -0.016152 0.468171 33O 5s 0.038177 -0.565302 0.021144 -1.079534 1.960727 -1.907791 33O 1pz 0.034870 -0.017660 -0.008289 -0.067065 -0.081084 0.010241 33O 1px -0.077591 -0.039406 0.009951 0.037153 -0.018965 0.002925 33O 1py 0.026407 0.032386 -0.011031 0.023746 -0.065244 -0.012538 33O 2pz 0.001775 -0.076045 -0.037153 -0.178310 -0.169434 -0.061710 33O 2px -0.138589 -0.044926 0.027707 0.107375 -0.105516 0.054853 33O 2py 0.006625 0.120466 -0.011194 0.033841 -0.183264 -0.065279 33O 3pz -0.079904 -0.205431 0.258166 0.275904 1.835349 -0.220149 33O 3px 0.703953 0.663439 0.001949 -0.166291 -0.574328 0.525984 33O 3py 0.279828 -0.793064 -0.145802 0.097745 1.063880 0.212956 33O 1dz2 -0.000299 -0.000265 0.000019 0.000739 -0.001919 0.001472 33O 1dxz -0.001711 -0.003649 0.002650 -0.001519 0.009342 -0.003577 33O 1dyz -0.000378 0.002157 -0.000097 0.000521 -0.002189 -0.001932 33O 1dx2y2 -0.000213 0.005410 0.002350 0.000562 -0.001730 0.001775 33O 1dxy 0.000359 -0.004543 -0.002133 0.001712 0.006373 0.000124 33O 2dz2 -0.014114 0.024000 0.029160 0.034906 0.018844 -0.003084 33O 2dxz 0.030251 0.029876 0.016678 -0.003157 -0.032579 0.006424 33O 2dyz -0.033154 -0.025445 -0.020860 0.025644 0.038560 0.002569 33O 2dx2y2 -0.013750 0.005602 0.017630 0.013870 0.001394 -0.026630 33O 2dxy 0.002439 -0.003325 0.004527 0.009445 0.001859 -0.008884 33O 1f0 -0.000675 0.001123 0.000077 -0.001169 -0.000395 -0.000055 33O 1f+1 0.000209 -0.000923 -0.002116 -0.000141 -0.000521 0.002181 33O 1f-1 0.001593 -0.000258 -0.000324 -0.001228 0.002772 -0.001536 33O 1f+2 -0.001590 -0.000812 -0.001380 0.000206 0.000592 0.000460 33O 1f-2 0.001715 0.001683 0.001621 -0.000139 -0.000925 0.000376 33O 1f+3 -0.000130 -0.000654 0.000174 -0.000233 0.001446 0.000302 33O 1f-3 0.000395 0.001409 0.001911 0.001528 -0.000658 -0.001079 34O 1s -0.001523 -0.003324 0.000743 0.004842 -0.000802 0.009216 34O 2s -0.002734 -0.007682 0.002021 0.009440 -0.001820 0.017328 34O 3s -0.009880 0.009956 -0.010444 0.022370 0.004838 0.057926 34O 4s 0.023044 0.068936 0.027636 -0.355282 -0.040427 -0.687261 34O 5s 0.957838 -0.652004 0.162919 2.290698 -0.112008 2.235026 34O 1pz 0.008321 0.032678 -0.001896 -0.025897 0.011821 -0.006026 34O 1px -0.036064 0.059570 0.004262 -0.049999 0.023150 0.062292 34O 1py 0.037739 0.028856 -0.023114 0.013143 -0.013870 0.011969 34O 2pz -0.008926 0.096271 -0.019749 -0.010743 -0.022097 -0.043460 34O 2px -0.079706 0.057226 0.032193 0.023783 0.007924 0.195784 34O 2py 0.093753 0.144490 -0.074847 -0.029862 0.042427 0.038228 34O 3pz 0.328753 -0.390495 0.156947 -0.268484 0.481234 0.213694 34O 3px 0.889690 -0.674124 0.159602 1.073433 0.098060 0.268039 34O 3py -0.378947 -0.563461 0.245310 -0.136945 -0.335906 -0.433305 34O 1dz2 0.001085 -0.000857 0.004232 0.000414 0.004944 0.003016 34O 1dxz -0.002583 0.003901 0.001435 -0.000333 -0.000926 0.002425 34O 1dyz -0.001620 -0.000461 -0.002142 -0.001205 -0.000381 -0.000757 34O 1dx2y2 -0.003254 0.004810 0.001816 -0.005463 -0.001523 -0.003601 34O 1dxy -0.001157 0.003207 -0.000714 0.003313 0.002161 0.000197 34O 2dz2 -0.032469 -0.007705 0.018983 -0.042480 -0.004243 0.000391 34O 2dxz -0.005806 -0.000835 0.018167 -0.004464 -0.005855 -0.020009 34O 2dyz -0.024093 0.016613 -0.023149 -0.013777 -0.008860 0.018322 34O 2dx2y2 0.013805 -0.037461 0.028112 0.025963 -0.019757 0.019654 34O 2dxy -0.027549 0.019205 -0.000350 -0.020234 0.022582 0.020787 34O 1f0 -0.000013 0.001006 -0.000751 -0.000611 0.000074 -0.000936 34O 1f+1 -0.001209 0.001262 -0.000493 -0.002939 0.000961 -0.001229 34O 1f-1 -0.000410 -0.000106 0.000617 0.001329 -0.000642 -0.000578 34O 1f+2 -0.001896 -0.001392 0.000988 0.000009 0.000140 -0.003729 34O 1f-2 -0.001396 -0.000018 -0.000264 -0.000778 -0.001125 -0.001169 34O 1f+3 -0.001839 0.000942 -0.001552 -0.000370 0.000151 -0.000797 34O 1f-3 0.000362 0.000520 -0.000891 0.001312 -0.000683 0.000366 35O 1s -0.001214 0.003227 0.003184 0.004699 0.008974 0.008591 35O 2s -0.002203 0.006788 0.007167 0.009080 0.020376 0.016052 35O 3s -0.013311 0.008968 -0.002639 0.023543 -0.014634 0.049515 35O 4s 0.158008 -0.133728 -0.115796 -0.364564 -0.178218 -0.639552 35O 5s -1.316454 0.099753 0.388076 2.028993 0.608781 2.505994 35O 1pz 0.020086 -0.032470 0.020463 -0.043647 -0.004862 -0.013695 35O 1px 0.021918 0.018202 0.005774 -0.038519 -0.026977 0.041935 35O 1py 0.031125 0.055206 0.004326 -0.004199 -0.014725 -0.008391 35O 2pz 0.071878 -0.104733 0.038628 -0.031531 0.087922 -0.005129 35O 2px 0.046999 0.003457 0.033767 0.019012 0.049694 0.225383 35O 2py 0.044307 0.163499 0.022505 0.023887 0.043471 0.044929 35O 3pz -0.567943 0.347428 -0.133751 0.011103 -0.689607 0.247762 35O 3px -0.495516 -0.154590 0.212277 0.886623 -0.109653 0.627117 35O 3py -0.163551 -0.860770 -0.032408 0.493271 -0.297803 0.333565 35O 1dz2 -0.002698 -0.001906 0.005120 0.001518 -0.001534 0.003430 35O 1dxz 0.004749 -0.002854 0.003133 -0.001785 0.000774 0.000116 35O 1dyz -0.000710 -0.000702 -0.002365 0.000929 0.002264 -0.002167 35O 1dx2y2 -0.000083 -0.001988 0.001255 -0.003477 0.001046 -0.006194 35O 1dxy -0.001173 0.007204 -0.001711 -0.004191 0.003075 -0.004233 35O 2dz2 -0.028444 0.046180 0.017543 -0.028073 -0.030070 -0.041522 35O 2dxz 0.000894 0.015573 0.013036 0.002990 0.012991 -0.011488 35O 2dyz -0.028125 -0.031800 -0.008373 0.015486 -0.003825 -0.025619 35O 2dx2y2 -0.015281 0.009769 0.024988 0.029558 0.008139 0.020026 35O 2dxy -0.022732 0.004558 0.002065 0.028170 0.026278 0.010149 35O 1f0 0.000063 -0.002173 -0.000610 -0.001343 -0.001381 0.000807 35O 1f+1 -0.001350 -0.000572 0.000272 -0.002284 -0.001470 -0.002239 35O 1f-1 -0.001292 0.000648 -0.000219 0.000426 -0.001151 0.001510 35O 1f+2 0.000281 0.000798 0.000556 -0.000672 0.002085 -0.000680 35O 1f-2 -0.001527 0.001006 -0.000673 0.001556 0.000229 0.000313 35O 1f+3 -0.000204 -0.002402 -0.001338 -0.001299 0.000687 -0.000787 35O 1f-3 0.000825 0.001362 -0.000164 -0.001546 -0.001197 -0.003165 246 247 248 249 250 251 0.81202 0.81763 0.82102 0.82873 0.84067 0.84638 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s -0.001641 0.000451 0.000566 0.000974 -0.000745 -0.000198 0Rh 2s 0.002959 -0.001242 -0.001222 -0.002148 0.002252 -0.000060 0Rh 3s -0.007752 0.001867 0.002550 0.004359 -0.002963 -0.001192 0Rh 4s -0.012013 0.005445 0.005153 0.009117 -0.009954 0.000641 0Rh 5s -0.020520 0.000090 0.004366 0.006851 0.001485 -0.008098 0Rh 6s 0.158896 -0.032831 -0.049488 -0.082969 0.058890 0.029565 0Rh 7s -0.999318 0.283172 0.215899 0.550265 -0.608050 -0.130513 0Rh 8s -0.339425 -0.158638 0.610202 0.148511 -0.796291 0.287114 0Rh 1pz -0.018792 0.001032 -0.006961 -0.017713 0.003177 -0.001296 0Rh 1px 0.003534 0.002044 -0.003869 -0.012832 -0.006751 0.003511 0Rh 1py 0.000594 0.000574 -0.021715 0.010363 0.002295 -0.003612 0Rh 2pz 0.064460 -0.003621 0.023987 0.060409 -0.011136 0.004300 0Rh 2px -0.011598 -0.006911 0.013143 0.043648 0.022747 -0.012047 0Rh 2py -0.002173 -0.002183 0.074062 -0.035485 -0.008005 0.012709 0Rh 3pz -0.043461 0.004045 -0.018343 -0.033161 0.011969 -0.000095 0Rh 3px -0.002538 0.002769 -0.006492 -0.021822 -0.007211 0.007916 0Rh 3py 0.004147 0.005526 -0.040911 0.022154 0.007876 -0.014476 0Rh 4pz -0.161438 0.002794 -0.051224 -0.182964 0.011687 -0.020916 0Rh 4px 0.069157 0.023933 -0.040362 -0.139397 -0.087551 0.031814 0Rh 4py -0.005238 -0.008846 -0.222754 0.097382 0.010714 -0.010942 0Rh 5pz 0.163990 -0.000539 0.036539 0.202823 0.006958 0.031378 0Rh 5px -0.092227 -0.023526 0.029354 0.151955 0.105790 -0.031719 0Rh 5py 0.012478 0.005618 0.245218 -0.103557 -0.001759 0.000373 0Rh 6pz -2.056562 0.531042 -0.508574 0.100593 -1.105444 -0.650345 0Rh 6px -0.548921 -0.042997 -0.007827 -0.142128 -0.340548 -0.242712 0Rh 6py 0.598208 0.667959 -0.227959 0.884378 0.312984 0.553540 0Rh 1dz2 -0.010928 -0.004144 -0.007986 -0.013693 0.017628 0.015401 0Rh 1dxz 0.005170 -0.017625 0.010969 -0.008105 -0.036592 -0.015892 0Rh 1dyz 0.007207 0.023115 -0.000524 0.011473 -0.003054 -0.013135 0Rh 1dx2y2 -0.007302 0.000781 0.000693 -0.007281 -0.002564 -0.022050 0Rh 1dxy 0.000083 -0.040657 0.004690 -0.011318 -0.009874 0.029965 0Rh 2dz2 0.003138 -0.000356 0.001844 0.003430 -0.003287 -0.003483 0Rh 2dxz -0.000738 0.003604 -0.002829 0.000322 0.008834 0.003183 0Rh 2dyz -0.001524 -0.007040 0.000319 -0.001760 0.000476 0.001973 0Rh 2dx2y2 0.000366 -0.000359 0.000490 0.001293 -0.001238 0.004787 0Rh 2dxy -0.000719 0.007683 -0.002431 0.003236 0.001120 -0.006438 0Rh 3dz2 0.008760 0.010122 0.008436 0.013298 -0.021975 -0.016449 0Rh 3dxz -0.007273 0.020537 -0.010305 0.015106 0.036869 0.018860 0Rh 3dyz -0.008153 -0.016713 -0.000265 -0.015923 0.004177 0.018491 0Rh 3dx2y2 0.013352 -0.000001 -0.003485 0.009317 0.010590 0.024549 0Rh 3dxy 0.002857 0.049986 0.000755 0.009314 0.015401 -0.033745 0Rh 4dz2 0.056237 -0.004913 0.031961 0.061180 -0.061871 -0.066144 0Rh 4dxz -0.015129 0.066296 -0.049346 0.012410 0.162838 0.060757 0Rh 4dyz -0.027777 -0.129625 0.004222 -0.033404 0.009052 0.038500 0Rh 4dx2y2 0.008966 -0.007149 0.006766 0.026499 -0.018581 0.089536 0Rh 4dxy -0.010338 0.145198 -0.037446 0.056402 0.023391 -0.121491 0Rh 5dz2 -0.205266 0.172300 -0.049139 -0.158442 0.115990 0.214235 0Rh 5dxz 0.002381 -0.147754 0.131473 0.029157 -0.489310 -0.156879 0Rh 5dyz 0.061645 0.638258 0.005417 -0.006486 0.007813 0.009210 0Rh 5dx2y2 0.109480 0.059187 -0.056726 -0.102365 0.174635 -0.219037 0Rh 5dxy 0.066519 -0.249621 0.117968 -0.187003 0.010768 0.345620 0Rh 1f0 -0.011765 0.003972 0.009798 -0.007134 -0.006025 0.001453 0Rh 1f+1 0.005030 -0.002827 -0.005948 -0.005249 -0.002595 -0.006408 0Rh 1f-1 0.007873 0.000980 0.009810 0.004831 -0.001600 0.005929 0Rh 1f+2 0.011036 0.003629 0.000467 -0.016835 0.013012 0.002918 0Rh 1f-2 0.005394 -0.005771 0.006014 -0.002246 0.001033 0.005643 0Rh 1f+3 0.014726 0.004395 -0.008164 -0.004708 0.006362 -0.006578 0Rh 1f-3 0.004408 -0.007683 -0.011171 -0.001334 -0.001135 0.006980 1Rh 1s -0.001419 -0.000483 0.000536 0.001076 0.000727 0.000147 1Rh 2s 0.002492 0.001348 -0.001146 -0.002366 -0.002175 0.000166 1Rh 3s -0.006749 -0.001986 0.002421 0.004823 0.002902 0.000960 1Rh 4s -0.010055 -0.005919 0.004831 0.010026 0.009596 -0.001085 1Rh 5s -0.018637 0.000168 0.004201 0.007782 -0.001115 0.007624 1Rh 6s 0.139971 0.034485 -0.046567 -0.092413 -0.058422 -0.024862 1Rh 7s -0.901301 -0.289883 0.188407 0.612848 0.599705 0.101595 1Rh 8s -0.376222 0.135636 0.574025 0.159321 0.807044 -0.294077 1Rh 1pz 0.018493 0.001483 0.007056 0.017518 0.002453 -0.001659 1Rh 1px -0.002965 0.002276 0.004155 0.012812 -0.007161 0.003190 1Rh 1py -0.000735 -0.000639 0.021623 -0.010316 0.003500 -0.003577 1Rh 2pz -0.063465 -0.005157 -0.024315 -0.059768 -0.008668 0.005522 1Rh 2px 0.009679 -0.007701 -0.014104 -0.043591 0.024149 -0.010966 1Rh 2py 0.002663 0.001981 -0.073749 0.035330 -0.012126 0.012586 1Rh 3pz 0.043457 0.004869 0.018570 0.033275 0.010601 -0.000453 1Rh 3px 0.003195 0.003194 0.006782 0.021968 -0.008088 0.007653 1Rh 3py -0.004633 0.002719 0.040744 -0.022167 0.010316 -0.014315 1Rh 4pz 0.156367 0.007475 0.051994 0.179319 0.004242 -0.025979 1Rh 4px -0.061657 0.026441 0.044141 0.138685 -0.091400 0.027209 1Rh 4py 0.004725 -0.019387 0.221852 -0.096619 0.022556 -0.010925 1Rh 5pz -0.157260 -0.005132 -0.037067 -0.197793 0.014990 0.039003 1Rh 5px 0.080401 -0.027148 -0.034202 -0.151700 0.109777 -0.025218 1Rh 5py -0.013677 0.016648 -0.244722 0.103269 -0.014704 0.000470 1Rh 6pz 2.064696 0.501818 0.521694 -0.165363 -1.094138 -0.620993 1Rh 6px 0.681206 -0.019541 0.022430 0.157292 -0.350394 -0.246550 1Rh 6py -0.608370 0.554607 0.230467 -0.879810 0.376663 0.568846 1Rh 1dz2 -0.012165 0.003632 -0.007938 -0.015249 -0.017080 -0.015732 1Rh 1dxz 0.006332 0.017545 0.010702 -0.006058 0.036695 0.017109 1Rh 1dyz 0.007802 -0.023055 -0.001004 0.012533 0.002328 0.013360 1Rh 1dx2y2 -0.005743 -0.000668 0.000255 -0.005785 0.002964 0.022483 1Rh 1dxy 0.000139 0.040258 0.005865 -0.012347 0.010410 -0.030161 1Rh 2dz2 0.003387 0.000446 0.001873 0.003694 0.003135 0.003542 1Rh 2dxz -0.000964 -0.003634 -0.002712 -0.000159 -0.008825 -0.003381 1Rh 2dyz -0.001751 0.006960 0.000469 -0.002059 -0.000332 -0.002003 1Rh 2dx2y2 -0.000049 0.000304 0.000489 0.001029 0.001202 -0.004914 1Rh 2dxy -0.000816 -0.007558 -0.002699 0.003443 -0.001291 0.006476 1Rh 3dz2 0.010210 -0.009464 0.008207 0.015342 0.021504 0.016869 1Rh 3dxz -0.008672 -0.020253 -0.010267 0.012993 -0.037118 -0.020507 1Rh 3dyz -0.008377 0.016934 0.000066 -0.016793 -0.003308 -0.018825 1Rh 3dx2y2 0.011966 0.000005 -0.002586 0.007399 -0.011256 -0.024893 1Rh 3dxy 0.003164 -0.049712 -0.000493 0.010532 -0.015766 0.033987 1Rh 4dz2 0.060770 0.006593 0.032489 0.066231 0.059162 0.067317 1Rh 4dxz -0.019387 -0.066582 -0.047291 0.003523 -0.162859 -0.064570 1Rh 4dyz -0.032005 0.128337 0.006945 -0.039003 -0.006468 -0.039131 1Rh 4dx2y2 0.001573 0.006283 0.007033 0.021427 0.017728 -0.091774 1Rh 4dxy -0.011892 -0.143015 -0.042402 0.060321 -0.026292 0.122147 1Rh 5dz2 -0.210506 -0.173630 -0.055331 -0.163235 -0.107567 -0.217504 1Rh 5dxz 0.012377 0.148851 0.121764 0.055238 0.489157 0.161650 1Rh 5dyz 0.089551 -0.629330 -0.007119 0.020270 -0.010831 -0.008600 1Rh 5dx2y2 0.131610 -0.055473 -0.051497 -0.093633 -0.174282 0.227292 1Rh 5dxy 0.077864 0.242978 0.131196 -0.194670 -0.001684 -0.345470 1Rh 1f0 0.011318 0.004643 -0.009522 0.006633 -0.006945 0.001675 1Rh 1f+1 -0.005351 -0.002738 0.005778 0.005021 -0.002740 -0.006200 1Rh 1f-1 -0.007955 0.001210 -0.009879 -0.004860 -0.001580 0.006252 1Rh 1f+2 -0.011055 0.004047 -0.000705 0.017246 0.012465 0.002186 1Rh 1f-2 -0.004977 -0.005726 -0.006227 0.002917 0.000775 0.005451 1Rh 1f+3 -0.014754 0.004247 0.007929 0.004680 0.006690 -0.006578 1Rh 1f-3 -0.004473 -0.007739 0.010959 0.001632 -0.000938 0.006570 2C 1s -0.002316 -0.006055 0.000647 0.000211 -0.001731 -0.000292 2C 2s -0.007840 -0.014527 0.002658 0.001495 -0.001755 -0.000449 2C 3s 0.061385 -0.036671 -0.036839 -0.042904 -0.152010 -0.006344 2C 4s -0.395395 0.424909 0.204063 0.421756 1.045677 -0.058248 2C 5s 3.048617 5.219226 -0.852249 -1.896500 0.093875 1.032864 2C 1pz 0.010145 0.025135 0.037481 -0.042215 -0.053666 0.021729 2C 1px -0.016525 0.002873 -0.029020 0.017738 0.058949 -0.008757 2C 1py 0.020667 0.006226 -0.058903 0.048473 0.003101 -0.043650 2C 2pz -0.036666 0.369050 0.223436 -0.166779 0.195300 0.189227 2C 2px -0.077635 0.141260 -0.018589 0.050933 0.347021 0.024993 2C 2py 0.047730 0.206772 -0.241726 0.365799 0.275150 -0.177840 2C 3pz 0.666123 1.053660 -0.137623 -0.343909 0.042804 0.184783 2C 3px 0.280168 0.988100 -0.150867 -0.133825 0.788079 0.248443 2C 3py 0.215563 0.679164 -0.122256 -0.060460 0.029020 -0.119893 2C 1dz2 0.002008 0.004302 -0.005324 -0.001826 0.003245 0.002414 2C 1dxz 0.002374 -0.001473 0.001929 0.001876 0.003027 -0.001097 2C 1dyz -0.001076 0.001943 0.002113 0.001318 0.002580 -0.001129 2C 1dx2y2 0.002187 -0.001851 -0.001302 -0.000523 -0.001596 0.000923 2C 1dxy 0.001200 -0.001771 0.001357 0.001676 0.000017 0.001152 2C 2dz2 -0.018186 -0.009970 0.032737 0.160632 -0.107305 -0.090069 2C 2dxz 0.129608 0.211724 -0.135462 0.093277 -0.170390 -0.099677 2C 2dyz -0.009464 0.084142 -0.070481 -0.025088 0.162009 0.058619 2C 2dx2y2 -0.001028 0.105171 -0.232328 0.304594 0.381049 -0.177995 2C 2dxy 0.120372 0.282782 0.138117 -0.374674 -0.026388 0.308967 2C 1f0 -0.007195 -0.004641 -0.008868 0.021373 0.013386 -0.016643 2C 1f+1 0.001450 0.009012 0.006583 -0.008636 0.000271 0.008799 2C 1f-1 0.002685 0.008264 0.003336 -0.005101 0.000898 0.004326 2C 1f+2 0.000390 -0.001957 0.003468 -0.002430 -0.017063 -0.000827 2C 1f-2 0.004132 0.011132 0.000532 0.005591 0.002616 -0.003635 2C 1f+3 0.002390 0.002374 -0.005718 0.008239 -0.006574 -0.006109 2C 1f-3 0.000023 -0.003682 -0.002692 -0.001223 0.008688 0.004263 3C 1s -0.003529 0.003920 0.000921 0.001835 0.001820 -0.001595 3C 2s -0.011364 0.008175 0.002959 0.006601 0.006369 -0.000524 3C 3s 0.077924 0.082633 -0.027823 -0.057583 -0.105322 -0.199134 3C 4s -0.498894 -0.550619 0.079070 0.279887 0.629593 1.292361 3C 5s 4.914182 -3.915673 -0.208514 -2.403923 -2.115270 0.413020 3C 1pz 0.033682 0.010179 -0.028413 -0.027253 -0.034623 -0.078585 3C 1px -0.042155 -0.036489 -0.065634 -0.059710 0.053902 -0.022252 3C 1py -0.035296 -0.007108 -0.033453 0.000921 0.042563 -0.003079 3C 2pz 0.114319 -0.059640 -0.169929 -0.172810 -0.013135 -0.143516 3C 2px -0.186071 -0.322419 -0.286573 -0.165596 0.293432 0.103925 3C 2py -0.065034 0.317181 -0.237118 -0.120853 -0.008887 -0.561883 3C 3pz 0.458435 -0.313767 -0.030801 -0.338697 -0.355369 -0.438345 3C 3px 0.428706 -1.294556 -0.165714 -0.349497 0.100867 0.235217 3C 3py -0.965853 0.660537 0.057963 0.400687 0.302416 -0.614587 3C 1dz2 -0.004892 -0.001760 0.004073 -0.001126 0.001751 0.000316 3C 1dxz -0.001929 -0.001857 0.000102 0.001335 0.001836 0.003840 3C 1dyz 0.001218 0.004208 -0.002461 0.002179 -0.000796 -0.003018 3C 1dx2y2 -0.002926 0.002961 0.000635 0.002430 -0.000841 -0.003552 3C 1dxy 0.000530 -0.000630 0.002379 -0.004006 -0.003226 -0.003221 3C 2dz2 -0.064192 -0.044887 -0.094320 0.054219 0.019636 -0.173785 3C 2dxz 0.341985 0.089598 0.397600 0.219332 -0.410898 0.006470 3C 2dyz 0.045181 0.151799 0.004844 -0.082031 -0.056289 -0.217282 3C 2dx2y2 0.096427 -0.247419 0.123081 0.113466 -0.008195 0.291903 3C 2dxy -0.164535 0.318928 0.099652 0.233550 0.047353 0.279960 3C 1f0 -0.000478 0.000786 0.008454 0.009898 -0.001784 0.014211 3C 1f+1 -0.004975 -0.003316 -0.008616 -0.000783 0.007768 0.006438 3C 1f-1 -0.009169 -0.000214 -0.005107 -0.004598 0.009062 -0.002428 3C 1f+2 -0.000634 0.003333 -0.002752 0.000785 -0.005707 -0.015966 3C 1f-2 -0.002546 0.012710 0.003333 0.002045 -0.004594 -0.009651 3C 1f+3 0.013783 -0.007562 0.013348 0.006870 -0.012002 0.009654 3C 1f-3 0.013506 0.001224 0.009112 0.006377 -0.013462 -0.004577 4C 1s -0.001741 0.008680 0.001044 0.005004 0.003872 -0.004595 4C 2s -0.004501 0.018846 0.002134 0.011796 0.006526 -0.012127 4C 3s -0.062623 0.044217 0.077345 0.016455 0.208490 0.061871 4C 4s 0.856558 -0.416147 -0.684666 -0.510855 -1.501996 -0.023654 4C 5s -1.047671 -2.770960 -0.374637 0.714588 -2.135512 0.021421 4C 1pz 0.016650 0.026850 -0.043489 -0.040051 0.063620 0.050478 4C 1px 0.002899 -0.077550 0.076141 0.044761 -0.014962 -0.001603 4C 1py -0.028522 0.021942 0.051246 0.024853 0.022615 -0.018750 4C 2pz 0.145626 0.129560 -0.135427 -0.293580 -0.263084 0.173678 4C 2px 0.008560 -0.009261 0.117086 0.478467 0.261380 -0.111807 4C 2py 0.118328 0.062677 -0.050388 0.012476 -0.058522 0.066774 4C 3pz 0.710540 3.329640 -0.177505 -0.439851 0.212482 0.266544 4C 3px -0.976932 -1.606859 -0.069517 1.343065 0.222665 -1.006394 4C 3py 0.917087 1.583570 -0.486855 -0.057862 0.574320 0.501147 4C 1dz2 0.003453 0.008982 0.004809 -0.008047 0.002778 0.005810 4C 1dxz -0.008248 -0.004478 -0.004237 0.008290 0.013172 -0.003432 4C 1dyz 0.006305 0.011789 -0.004463 0.004653 0.005357 -0.003036 4C 1dx2y2 0.003973 -0.009794 -0.005599 -0.002928 -0.008556 -0.002960 4C 1dxy -0.001530 -0.002684 -0.001304 -0.005249 -0.001242 0.000350 4C 2dz2 -0.249712 -0.202099 0.227169 -0.149561 -0.279599 -0.033721 4C 2dxz -0.053855 0.022703 0.081884 0.252237 0.138176 -0.149186 4C 2dyz 0.066459 -0.365767 -0.189243 0.046679 -0.228276 -0.043043 4C 2dx2y2 0.050585 0.071672 -0.089642 0.108350 0.000935 -0.085405 4C 2dxy 0.062777 0.166546 0.168159 -0.212200 -0.223812 0.188943 4C 1f0 -0.003409 0.008888 0.005458 -0.006566 0.006355 0.010886 4C 1f+1 -0.008060 -0.001232 0.011327 0.006500 0.027854 -0.000697 4C 1f-1 -0.006271 0.000743 0.001976 -0.001887 0.006690 0.003559 4C 1f+2 0.005087 -0.019244 -0.006030 -0.011697 -0.021695 -0.000680 4C 1f-2 -0.001906 0.003221 0.006738 0.008394 0.009186 -0.000408 4C 1f+3 0.000007 -0.011331 0.002130 -0.006519 -0.004578 0.002253 4C 1f-3 -0.012801 -0.003963 0.006307 0.001398 0.012035 -0.005490 5C 1s -0.000492 -0.005142 0.002287 -0.001766 0.000767 0.007970 5C 2s -0.002154 -0.009849 0.005512 -0.003759 0.000966 0.016601 5C 3s -0.049405 -0.146891 0.029331 0.072522 0.121271 0.234797 5C 4s 0.865925 0.979914 -0.516228 -0.698486 -1.031164 -1.973790 5C 5s -1.631927 3.001618 -0.440995 0.281677 -0.671771 -3.462629 5C 1pz -0.024153 -0.018816 0.045143 -0.032922 0.027248 0.031539 5C 1px -0.059027 0.067685 -0.036589 0.095181 0.027320 0.033207 5C 1py -0.032156 0.061831 0.009691 -0.014179 0.003760 -0.039798 5C 2pz 0.239064 -0.009643 0.131647 -0.153226 -0.195476 -0.188135 5C 2px -0.262400 -0.015914 -0.588470 0.150291 0.148142 -0.122630 5C 2py -0.251655 -0.001011 -0.041275 0.149191 0.204482 0.267826 5C 3pz 2.014526 -1.696996 -0.079116 -0.717458 -0.905503 0.580079 5C 3px -0.843422 1.344071 -1.067625 -0.197578 0.465945 0.512370 5C 3py -1.429104 2.401596 -0.025902 0.961782 0.695607 -0.315972 5C 1dz2 -0.007517 0.000959 -0.001203 -0.000164 0.006044 0.003096 5C 1dxz -0.003715 -0.000466 0.005062 0.000626 0.004399 0.013548 5C 1dyz -0.009550 0.004412 0.001145 0.006076 0.003812 -0.002480 5C 1dx2y2 -0.007247 0.017143 -0.004313 -0.003980 -0.000286 -0.011044 5C 1dxy 0.008501 0.001553 0.007040 0.007874 -0.009997 -0.005254 5C 2dz2 0.048242 -0.110694 -0.207776 -0.081622 0.092794 0.014011 5C 2dxz 0.117483 0.052311 0.145430 0.226870 -0.141659 0.147948 5C 2dyz -0.086796 -0.326966 0.037686 0.031907 0.189861 0.449652 5C 2dx2y2 0.315001 -0.171036 -0.210555 -0.113523 -0.143507 -0.095294 5C 2dxy 0.154006 0.092914 0.313829 -0.003663 -0.124873 0.308563 5C 1f0 -0.005169 -0.009440 -0.008538 0.000634 0.005405 0.001243 5C 1f+1 -0.008895 0.004294 0.010816 0.004227 0.010887 0.020309 5C 1f-1 -0.001011 -0.003117 -0.001494 0.006227 -0.001169 0.003682 5C 1f+2 0.003609 0.011293 -0.001846 -0.000448 -0.000448 -0.004787 5C 1f-2 0.009610 0.020943 0.007842 -0.010225 -0.013888 -0.021590 5C 1f+3 -0.011707 -0.007835 0.004593 0.009851 0.020683 0.027615 5C 1f-3 -0.000001 0.019481 -0.011872 -0.006544 -0.003845 -0.031435 6C 1s -0.000901 0.005269 0.002505 -0.002309 -0.000664 -0.007838 6C 2s -0.003011 0.010170 0.005939 -0.004861 -0.000690 -0.016289 6C 3s -0.048915 0.141223 0.035853 0.056409 -0.124742 -0.236056 6C 4s 0.853846 -0.944761 -0.566908 -0.566330 1.044746 1.983782 6C 5s -1.518066 -3.016869 -0.552414 0.532787 0.667381 3.395357 6C 1pz 0.027516 -0.014896 -0.045941 0.035992 0.023666 0.032545 6C 1px 0.054296 0.066813 0.037874 -0.095959 0.031655 0.033468 6C 1py 0.031524 0.062866 -0.008171 0.011751 0.002048 -0.039220 6C 2pz -0.216594 -0.012096 -0.125391 0.146784 -0.201403 -0.197964 6C 2px 0.224198 -0.030650 0.572823 -0.160209 0.162383 -0.101896 6C 2py 0.230688 0.006163 0.036717 -0.140507 0.209180 0.275596 6C 3pz -1.848411 -1.767306 0.033929 0.791622 -0.906559 0.529991 6C 3px 0.723445 1.344508 1.056132 0.143804 0.475577 0.556699 6C 3py 1.217240 2.441261 0.088681 -1.060091 0.705890 -0.282468 6C 1dz2 -0.007988 -0.001031 -0.001071 -0.000674 -0.006038 -0.003043 6C 1dxz -0.003550 0.000275 0.005240 0.000082 -0.004310 -0.013868 6C 1dyz -0.008543 -0.004799 0.001112 0.006451 -0.003904 0.002226 6C 1dx2y2 -0.006550 -0.017360 -0.004685 -0.002999 0.000548 0.010885 6C 1dxy 0.008198 -0.001361 0.006451 0.008301 0.009720 0.005304 6C 2dz2 0.039448 0.115381 -0.198885 -0.091442 -0.098024 -0.003932 6C 2dxz 0.133524 -0.048425 0.136388 0.231172 0.130700 -0.154174 6C 2dyz -0.095239 0.322115 0.051507 0.000895 -0.188452 -0.452527 6C 2dx2y2 0.298999 0.190667 -0.206382 -0.112023 0.137301 0.097579 6C 2dxy 0.147620 -0.096332 0.304524 -0.007521 0.127381 -0.303741 6C 1f0 0.005183 -0.009405 0.008094 -0.000105 0.005489 0.001626 6C 1f+1 0.008938 0.004978 -0.010752 -0.003181 0.010920 0.020081 6C 1f-1 0.000296 -0.003265 0.001348 -0.006315 -0.000973 0.003918 6C 1f+2 -0.004140 0.011159 0.002090 -0.000305 -0.000406 -0.004971 6C 1f-2 -0.009383 0.020935 -0.006812 0.008487 -0.014482 -0.022069 6C 1f+3 0.011310 -0.007185 -0.005436 -0.008155 0.020913 0.027489 6C 1f-3 -0.000022 0.018907 0.012332 0.004821 -0.003943 -0.031420 7C 1s -0.002520 -0.008853 0.000964 0.004844 -0.003957 0.004689 7C 2s -0.006303 -0.019217 0.001959 0.011542 -0.006728 0.012340 7C 3s -0.065818 -0.044858 0.077047 0.006485 -0.207545 -0.063311 7C 4s 0.909410 0.428674 -0.681680 -0.439346 1.504519 0.039296 7C 5s -0.857266 2.834605 -0.338022 0.787498 2.093942 -0.114319 7C 1pz -0.016742 0.026644 0.043508 0.042936 0.063929 0.048675 7C 1px -0.003100 -0.081180 -0.078293 -0.043794 -0.014275 0.000068 7C 1py 0.026467 0.023539 -0.050375 -0.025551 0.022108 -0.017057 7C 2pz -0.145567 0.133804 0.142366 0.281521 -0.271250 0.155565 7C 2px -0.042819 -0.020186 -0.131843 -0.471632 0.275447 -0.075968 7C 2py -0.129212 0.060655 0.048440 -0.017214 -0.057218 0.069306 7C 3pz -0.580442 3.401323 0.231065 0.419231 0.183972 0.183327 7C 3px 1.028112 -1.654447 0.013818 -1.292485 0.252116 -0.904032 7C 3py -0.852440 1.573012 0.500999 0.093415 0.560427 0.469305 7C 1dz2 0.002746 -0.009517 0.004570 -0.008233 -0.002352 -0.005370 7C 1dxz -0.008819 0.004801 -0.003765 0.007403 -0.013538 0.003036 7C 1dyz 0.005997 -0.011722 -0.004598 0.004573 -0.005658 0.003144 7C 1dx2y2 0.004000 0.010120 -0.005368 -0.002635 0.008455 0.003047 7C 1dxy -0.001488 0.002615 -0.001154 -0.005377 0.001541 -0.000489 7C 2dz2 -0.247374 0.187384 0.223207 -0.142110 0.296927 0.028923 7C 2dxz -0.045585 -0.021656 0.086292 0.252642 -0.145257 0.135826 7C 2dyz 0.077584 0.383040 -0.179659 0.055349 0.218674 0.044171 7C 2dx2y2 0.054265 -0.074901 -0.086969 0.112213 -0.006487 0.082764 7C 2dxy 0.089828 -0.182620 0.157752 -0.197607 0.238906 -0.193811 7C 1f0 0.003679 0.009319 -0.005058 0.007004 0.005716 0.010859 7C 1f+1 0.009253 -0.001384 -0.011736 -0.004801 0.027693 -0.000489 7C 1f-1 0.007035 0.000876 -0.001977 0.002424 0.006522 0.003226 7C 1f+2 -0.005118 -0.019319 0.005774 0.011257 -0.022103 -0.001192 7C 1f-2 0.001354 0.003254 -0.006954 -0.008051 0.009422 0.000211 7C 1f+3 0.000648 -0.011472 -0.002244 0.006803 -0.004835 0.001813 7C 1f-3 0.014278 -0.003922 -0.006258 -0.000606 0.012034 -0.005718 8C 1s -0.003201 -0.004059 0.000819 0.002010 -0.001803 0.001489 8C 2s -0.010513 -0.008590 0.002795 0.006814 -0.006366 0.000227 8C 3s 0.078275 -0.079409 -0.032398 -0.045565 0.106156 0.200457 8C 4s -0.512655 0.533478 0.109206 0.201944 -0.635691 -1.302258 8C 5s 4.581095 4.057475 -0.106208 -2.528641 2.140910 -0.285897 8C 1pz -0.029307 0.007805 0.030283 0.025300 -0.032656 -0.081051 8C 1px 0.042640 -0.035724 0.061351 0.060931 0.051953 -0.021166 8C 1py 0.034761 -0.007395 0.032345 0.000594 0.043593 -0.003508 8C 2pz -0.086462 -0.068963 0.171565 0.180499 -0.005523 -0.153876 8C 2px 0.199897 -0.320171 0.261614 0.187810 0.288904 0.106225 8C 2py 0.056813 0.314586 0.247811 0.092690 -0.007458 -0.563266 8C 3pz -0.433307 -0.322274 0.034659 0.325740 -0.353954 -0.450669 8C 3px -0.344764 -1.305556 0.117628 0.410969 0.094292 0.233429 8C 3py 0.910301 0.691988 -0.033616 -0.445704 0.307117 -0.585814 8C 1dz2 -0.004805 0.001412 0.004103 -0.001215 -0.001455 -0.000425 8C 1dxz -0.001874 0.001787 0.000182 0.001137 -0.001860 -0.003862 8C 1dyz 0.001284 -0.004053 -0.002557 0.002379 0.000610 0.003028 8C 1dx2y2 -0.002766 -0.003026 0.000493 0.002745 0.000802 0.003484 8C 1dxy 0.000526 0.000478 0.002251 -0.003777 0.003473 0.003258 8C 2dz2 -0.052658 0.039124 -0.090201 0.064088 -0.022176 0.176632 8C 2dxz 0.347053 -0.081860 0.378586 0.233765 0.403248 -0.007851 8C 2dyz 0.036330 -0.153304 -0.005101 -0.071721 0.056938 0.219678 8C 2dx2y2 0.102471 0.249122 0.127621 0.101520 0.008199 -0.296258 8C 2dxy -0.139182 -0.321992 0.091377 0.239251 -0.053073 -0.287122 8C 1f0 -0.000305 0.000872 -0.008221 -0.009946 -0.001583 0.014653 8C 1f+1 0.004569 -0.003215 0.008138 0.001173 0.007633 0.006243 8C 1f-1 0.009707 0.000130 0.005032 0.005053 0.008875 -0.002581 8C 1f+2 0.000565 0.003120 0.003053 -0.001429 -0.005589 -0.016027 8C 1f-2 0.001913 0.012720 -0.002841 -0.002949 -0.004688 -0.009667 8C 1f+3 -0.013429 -0.007945 -0.012956 -0.006594 -0.011735 0.009590 8C 1f-3 -0.013298 0.000815 -0.008464 -0.006868 -0.013229 -0.004839 9C 1s -0.002206 0.006126 0.000697 0.000207 0.001708 0.000172 9C 2s -0.007648 0.014724 0.002782 0.001366 0.001680 0.000114 9C 3s 0.067600 0.036474 -0.036714 -0.035302 0.153462 0.007924 9C 4s -0.437667 -0.420089 0.203695 0.371344 -1.058470 0.040441 9C 5s 2.867188 -5.345056 -0.931520 -1.851910 -0.013067 -0.823425 9C 1pz -0.010347 0.028004 -0.035596 0.040311 -0.058164 0.020711 9C 1px 0.016892 0.002242 0.026204 -0.012384 0.059404 -0.004565 9C 1py -0.018987 0.002857 0.057780 -0.049433 0.008402 -0.043765 9C 2pz 0.049599 0.385164 -0.214594 0.177914 0.172367 0.186465 9C 2px 0.080151 0.141752 0.008423 -0.023634 0.346257 0.037791 9C 2py -0.031710 0.190522 0.237697 -0.361657 0.310099 -0.180576 9C 3pz -0.632363 1.063844 0.158098 0.340858 0.012136 0.149568 9C 3px -0.260841 0.997766 0.157345 0.170262 0.792453 0.237357 9C 3py -0.156691 0.712577 0.125645 0.052271 0.044940 -0.147381 9C 1dz2 0.002027 -0.004057 -0.005385 -0.001925 -0.003356 -0.002222 9C 1dxz 0.002141 0.001608 0.001998 0.001622 -0.003102 0.001081 9C 1dyz -0.001341 -0.002167 0.002105 0.001199 -0.002562 0.001103 9C 1dx2y2 0.002386 0.001985 -0.001259 -0.000432 0.001509 -0.000797 9C 1dxy 0.001031 0.001860 0.001440 0.001571 -0.000036 -0.001155 9C 2dz2 -0.012442 0.017374 0.032075 0.167709 0.100274 0.087337 9C 2dxz 0.132981 -0.211025 -0.141124 0.116381 0.163456 0.109888 9C 2dyz -0.016979 -0.084711 -0.067273 -0.033176 -0.161284 -0.055821 9C 2dx2y2 -0.004776 -0.089808 -0.227808 0.296929 -0.405218 0.174133 9C 2dxy 0.134295 -0.303890 0.119129 -0.368423 0.043313 -0.302113 9C 1f0 0.007783 -0.005327 0.008353 -0.020901 0.014659 -0.016181 9C 1f+1 -0.001577 0.009412 -0.006151 0.008340 -0.000105 0.008530 9C 1f-1 -0.002198 0.008594 -0.003083 0.005253 0.000467 0.004119 9C 1f+2 -0.001024 -0.001837 -0.003136 0.001486 -0.017418 -0.000803 9C 1f-2 -0.004016 0.011213 -0.000249 -0.005804 0.002712 -0.003739 9C 1f+3 -0.002690 0.002172 0.005648 -0.009054 -0.006046 -0.006422 9C 1f-3 0.000054 -0.003872 0.002532 0.001847 0.008477 0.004324 10H 1s -0.010019 -0.016157 0.001558 0.011024 -0.001793 -0.007995 10H 2s 0.013193 -0.138227 0.233248 -0.187217 -0.809013 0.052429 10H 3s -0.296914 -0.571467 0.029343 0.229614 -0.078086 -0.232320 10H 1pz 0.005398 0.009260 0.001981 -0.015893 -0.012527 0.009499 10H 1px -0.013596 -0.005557 -0.006526 0.023230 0.062106 -0.008750 10H 1py 0.004538 0.009873 -0.009487 0.009252 0.000466 -0.001039 11H 1s -0.010462 -0.004975 0.006820 0.007724 0.000965 -0.014145 11H 2s -0.269721 -0.080552 0.372178 -0.387457 0.140960 0.339782 11H 3s -0.254043 -0.163908 -0.025399 0.431814 0.462805 -0.207214 11H 1pz -0.000518 -0.001807 0.013005 -0.035945 -0.008480 0.029233 11H 1px -0.003752 -0.009316 0.010754 -0.016097 0.012809 0.020749 11H 1py 0.002695 -0.020505 -0.014218 0.024609 -0.007092 -0.012364 12H 1s -0.005657 -0.011520 0.001749 0.007790 0.000260 -0.001608 12H 2s -0.204834 -0.298300 -0.467899 0.842753 0.348955 -0.547743 12H 3s -0.399559 -0.243678 0.242818 0.181668 0.239051 -0.072504 12H 1pz -0.004498 0.006910 0.020779 -0.024180 -0.019750 0.013424 12H 1px -0.013168 -0.002574 -0.001821 0.020989 0.006444 -0.017899 12H 1py -0.001597 -0.007871 -0.029218 0.046971 0.009802 -0.027079 13H 1s -0.015534 0.015247 -0.003215 -0.000221 0.004005 -0.002627 13H 2s 0.286518 0.500287 0.406664 0.167866 -0.575071 -0.499713 13H 3s -0.498692 0.467583 0.010274 0.155866 0.258257 0.014025 13H 1pz 0.027886 0.008407 0.011041 -0.008833 -0.030400 -0.036779 13H 1px -0.030161 -0.021241 -0.029070 -0.002602 0.041763 0.031772 13H 1py -0.006292 0.003867 -0.007859 -0.003440 0.003237 0.000491 14H 1s -0.007670 0.004999 0.000520 0.002328 0.000345 -0.000434 14H 2s -0.597907 -0.012219 -0.729972 -0.398009 0.519896 -0.564019 14H 3s -0.422524 -0.002225 0.061327 0.306705 0.231858 0.312909 14H 1pz -0.007536 0.011471 -0.028089 -0.021064 0.007909 -0.028137 14H 1px -0.030612 -0.002926 -0.042232 -0.020308 0.027294 -0.031913 14H 1py 0.001942 -0.014768 -0.028272 -0.019571 0.006592 -0.017283 15H 1s -0.014342 0.013378 0.002651 0.005329 0.012606 0.003567 15H 2s -0.277927 0.015105 0.329800 0.403304 0.104110 0.628201 15H 3s -0.592647 0.130363 -0.137587 0.246584 0.485380 0.484925 15H 1pz 0.005040 0.003992 -0.014042 -0.017861 -0.006171 -0.043560 15H 1px -0.009772 0.010012 -0.013629 0.006894 0.002323 0.005532 15H 1py -0.009276 0.017122 -0.020312 -0.020561 0.019335 -0.009502 16H 1s 0.002028 -0.008203 0.009763 0.001124 -0.007519 -0.001632 16H 2s 0.154214 0.050351 -0.081139 -0.057990 0.266307 -0.005780 16H 3s -0.051147 0.096719 -0.208345 -0.155118 0.252900 -0.007491 16H 1pz 0.003556 0.017027 -0.012020 -0.014079 0.009927 0.007274 16H 1px -0.018288 -0.009594 0.016645 -0.008843 -0.016218 -0.002840 16H 1py 0.004001 0.004120 -0.008792 0.012345 0.032039 -0.010065 17H 1s 0.000643 -0.004244 0.002836 0.004092 0.010972 0.008187 17H 2s 0.018858 -0.028053 -0.026790 0.040651 0.138400 -0.118188 17H 3s 0.051055 0.041958 -0.052065 0.191940 0.067766 -0.150325 17H 1pz -0.009799 0.008203 -0.009692 -0.008942 0.001962 -0.001173 17H 1px 0.012916 -0.001541 0.001349 0.003916 0.020248 0.013938 17H 1py 0.004922 0.004187 -0.018634 0.001767 0.023844 -0.016030 18H 1s 0.000973 0.003388 0.003296 0.003328 -0.011367 -0.008440 18H 2s 0.031725 0.026672 -0.017200 0.036967 -0.144885 0.122028 18H 3s 0.072222 -0.026965 -0.041643 0.197418 -0.074990 0.146911 18H 1pz 0.010200 0.008403 0.009367 0.008064 0.001018 -0.001801 18H 1px -0.013050 -0.000904 -0.002184 -0.003041 0.020184 0.015383 18H 1py -0.006044 0.003924 0.017588 -0.001642 0.024726 -0.016294 19H 1s 0.003294 0.008852 0.010039 0.001858 0.007124 0.001402 19H 2s 0.165593 -0.053964 -0.072595 -0.063908 -0.268601 0.005986 19H 3s -0.041789 -0.100396 -0.208075 -0.154045 -0.253891 0.012840 19H 1pz -0.002149 0.017709 0.011926 0.015262 0.008524 0.007820 19H 1px 0.017369 -0.010665 -0.016504 0.007632 -0.016228 -0.002764 19H 1py -0.005816 0.003866 0.007849 -0.012049 0.033251 -0.010701 20H 1s -0.014199 -0.014156 0.002481 0.005099 -0.012593 -0.004051 20H 2s -0.239920 -0.029308 0.336986 0.393664 -0.098963 -0.650482 20H 3s -0.576549 -0.138392 -0.130718 0.217591 -0.492189 -0.492589 20H 1pz -0.003633 0.003920 0.014904 0.016636 -0.005872 -0.044523 20H 1px 0.007793 0.009637 0.013178 -0.007738 0.002582 0.006126 20H 1py 0.010894 0.017328 0.020502 0.021000 0.019119 -0.009544 21H 1s -0.007596 -0.005283 0.000206 0.002719 -0.000493 0.000132 21H 2s -0.608595 0.003853 -0.706525 -0.399131 -0.514830 0.561549 21H 3s -0.404378 -0.014879 0.063078 0.297752 -0.237286 -0.336071 21H 1pz 0.008154 0.010902 0.027963 0.020583 0.007694 -0.028797 21H 1px 0.031710 -0.002472 0.040574 0.020560 0.027069 -0.031890 21H 1py -0.001174 -0.015274 0.027312 0.019387 0.006618 -0.017055 22H 1s -0.014434 -0.015855 -0.003683 0.000646 -0.003797 0.001991 22H 2s 0.285585 -0.492911 0.362515 0.206943 0.563330 0.507142 22H 3s -0.455539 -0.485058 -0.001348 0.168843 -0.257646 -0.021585 22H 1pz -0.025641 0.007322 -0.009217 0.007466 -0.029825 -0.037414 22H 1px 0.030282 -0.020622 0.026615 0.004965 0.041633 0.032960 22H 1py 0.006478 0.004175 0.008070 0.003483 0.003565 0.000297 23H 1s -0.006153 0.012048 0.001926 0.007311 -0.000508 0.000923 23H 2s -0.217137 0.339587 -0.441718 0.827298 -0.411765 0.524726 23H 3s -0.412881 0.242815 0.249070 0.163960 -0.244681 0.052499 23H 1pz 0.002579 0.007887 -0.019709 0.023048 -0.022018 0.012963 23H 1px 0.013505 -0.003400 0.000880 -0.020418 0.007464 -0.017183 23H 1py 0.001464 -0.009937 0.028064 -0.047264 0.013536 -0.026881 24H 1s -0.010326 0.005166 0.006697 0.007598 -0.000989 0.013236 24H 2s -0.256371 0.063778 0.371603 -0.416752 -0.097883 -0.362537 24H 3s -0.251718 0.189465 -0.021038 0.407361 -0.483716 0.181980 24H 1pz -0.000070 -0.000685 -0.013103 0.035895 -0.010782 0.028291 24H 1px 0.003297 -0.008621 -0.011565 0.018816 0.011103 0.022072 24H 1py -0.001961 -0.021815 0.013415 -0.024908 -0.004734 -0.012580 25H 1s -0.009665 0.016586 0.001809 0.010863 0.001439 0.006886 25H 2s 0.030136 0.130516 0.213205 -0.136892 0.826138 -0.037440 25H 3s -0.286997 0.587586 0.039518 0.227094 0.072584 0.210546 25H 1pz -0.006188 0.010472 -0.001397 0.015290 -0.014063 0.009487 25H 1px 0.014991 -0.006335 0.004842 -0.018754 0.063283 -0.006615 25H 1py -0.004512 0.009176 0.009800 -0.010212 0.002274 -0.001534 26O 1s -0.006690 0.000766 -0.002036 -0.005735 0.000592 -0.001759 26O 2s -0.015586 0.000412 -0.004314 -0.012809 0.001986 -0.003789 26O 3s 0.018109 0.027106 -0.007043 -0.000790 -0.016139 -0.002271 26O 4s 0.155401 -0.214961 0.104769 0.259579 0.002228 0.068196 26O 5s -0.620840 0.763168 0.101004 -1.191075 0.377729 0.031475 26O 1pz 0.006800 0.017175 0.047081 0.002144 0.006745 -0.000853 26O 1px -0.011277 -0.062298 0.053119 0.024762 -0.011105 -0.005171 26O 1py 0.035805 -0.010873 0.048651 0.013416 0.008188 0.046365 26O 2pz 0.007498 0.140719 0.095674 -0.022594 0.003895 0.004192 26O 2px 0.041978 -0.082077 0.065145 0.096856 -0.036773 -0.024351 26O 2py 0.134534 0.046788 0.063274 -0.005450 0.007970 0.137831 26O 3pz 0.013473 -0.879217 -0.453061 0.106104 -0.019207 -0.031471 26O 3px 0.382920 0.301795 -0.441007 0.033938 -0.363464 0.169607 26O 3py -0.482441 -0.538999 -0.423681 0.517243 -0.148589 -0.844163 26O 1dz2 -0.002886 0.002138 0.003714 -0.003435 -0.001826 0.001900 26O 1dxz 0.000732 0.001615 -0.000929 -0.002501 0.000558 0.002979 26O 1dyz 0.001082 0.001453 -0.000802 -0.000195 -0.000803 0.001839 26O 1dx2y2 0.003687 0.001121 0.001695 -0.003886 -0.004533 0.004483 26O 1dxy -0.000359 -0.001625 -0.002417 0.005715 0.001194 -0.004091 26O 2dz2 -0.000906 0.030430 -0.004225 -0.002943 -0.019651 -0.013465 26O 2dxz -0.006374 -0.008239 0.018485 0.002568 0.020777 -0.006741 26O 2dyz -0.013021 -0.006086 -0.029272 -0.024061 0.000189 0.017111 26O 2dx2y2 -0.022779 0.011819 0.026934 -0.005529 0.002241 0.005317 26O 2dxy -0.023604 -0.014327 0.014899 -0.002392 0.027572 -0.009583 26O 1f0 -0.000245 -0.001710 -0.000126 0.002626 -0.000261 -0.001762 26O 1f+1 -0.000842 0.000338 0.000054 0.001133 0.003499 -0.000488 26O 1f-1 -0.001685 -0.003851 -0.000704 -0.000130 -0.000391 -0.000889 26O 1f+2 0.001954 0.002889 -0.001623 0.000207 0.000414 0.001202 26O 1f-2 -0.000478 0.000372 -0.000476 -0.000262 0.001135 0.000510 26O 1f+3 -0.001448 0.000677 0.000281 0.001755 0.002682 -0.001420 26O 1f-3 -0.000516 0.000134 0.002595 -0.002955 0.001080 0.001997 27O 1s -0.005348 0.000638 0.009872 -0.003611 0.001280 0.008880 27O 2s -0.012189 0.002507 0.022049 -0.007916 0.003706 0.020687 27O 3s 0.009771 -0.019547 -0.003974 -0.006097 -0.019149 -0.024216 27O 4s 0.110401 0.152056 -0.422671 0.178653 0.016368 -0.302400 27O 5s -0.219759 -1.179684 1.983478 -0.080961 0.264122 1.663480 27O 1pz 0.041977 -0.039073 -0.008267 0.013919 -0.018824 0.033700 27O 1px -0.018833 0.036695 -0.017794 0.087824 0.011570 0.011731 27O 1py 0.007300 0.009708 0.003903 -0.077705 -0.030976 -0.011917 27O 2pz 0.146151 -0.114193 0.014253 0.028576 -0.078359 0.087067 27O 2px 0.035798 0.066191 -0.141374 0.133277 -0.018173 -0.100861 27O 2py -0.006965 0.097581 -0.025426 -0.126140 -0.042124 0.002452 27O 3pz -0.830882 0.459411 -0.133837 -0.311329 0.641716 -0.272757 27O 3px -0.075511 0.215891 -0.758217 -0.723560 -0.288143 -1.136410 27O 3py 0.068358 -0.924420 0.324369 0.526977 0.254580 0.141718 27O 1dz2 -0.000381 -0.000103 0.002411 0.000547 0.000931 0.003137 27O 1dxz -0.007737 -0.001434 -0.002879 -0.002457 0.005521 -0.000118 27O 1dyz 0.002418 0.001397 0.001943 -0.001804 0.000597 0.004328 27O 1dx2y2 -0.002084 0.001851 -0.008913 -0.002982 0.001421 -0.008087 27O 1dxy -0.003407 -0.002167 0.001210 0.000657 0.004558 -0.002212 27O 2dz2 0.050684 0.005261 -0.045578 -0.006466 -0.029979 -0.042189 27O 2dxz -0.005937 -0.000018 -0.011367 0.002566 0.014259 -0.005120 27O 2dyz -0.012622 0.010154 -0.012829 0.023049 0.020497 0.021270 27O 2dx2y2 0.007507 -0.002604 0.004701 0.028991 0.015301 0.045114 27O 2dxy -0.001696 -0.002211 -0.016111 -0.007462 -0.015916 -0.037148 27O 1f0 0.002313 -0.001449 -0.000678 0.002062 -0.001639 -0.000798 27O 1f+1 0.001372 -0.001576 0.003111 0.001943 0.000097 0.004511 27O 1f-1 -0.000764 -0.000677 -0.001444 -0.001230 0.000215 0.000069 27O 1f+2 -0.000700 -0.003822 -0.000434 -0.000185 0.001274 0.001296 27O 1f-2 0.001780 -0.001079 -0.001211 0.000306 -0.001637 -0.001983 27O 1f+3 0.000292 -0.000790 0.001382 0.000505 0.001691 0.004924 27O 1f-3 0.003372 -0.001512 0.000848 -0.000255 -0.002514 0.000402 28O 1s 0.005033 0.003284 0.003909 0.009188 0.009996 -0.004769 28O 2s 0.011120 0.008737 0.008704 0.020633 0.023872 -0.009459 28O 3s 0.004446 -0.030776 -0.004106 -0.005120 -0.034787 -0.023002 28O 4s -0.169307 0.051939 -0.163685 -0.392204 -0.283832 0.324196 28O 5s -0.231227 -0.993159 0.955897 1.723082 1.525742 -1.253593 28O 1pz -0.080218 -0.003300 -0.060604 -0.001455 0.039521 -0.001137 28O 1px 0.004314 -0.013784 0.019193 0.042304 -0.005437 -0.028842 28O 1py -0.001668 -0.022954 -0.014175 -0.029529 0.039350 0.026580 28O 2pz -0.198592 -0.089112 -0.119134 0.006230 0.028905 -0.018975 28O 2px -0.030286 -0.023812 0.080104 0.182131 0.108478 -0.096995 28O 2py 0.008014 -0.085701 -0.040677 -0.032800 0.113502 0.046333 28O 3pz 1.370229 0.671311 -0.218172 -0.771039 -0.945667 0.409868 28O 3px -0.179675 0.164987 0.194714 0.280760 0.820053 0.012468 28O 3py 0.217648 0.672788 0.376211 -0.298647 -0.808924 0.002319 28O 1dz2 0.006693 -0.001044 -0.004902 0.003934 0.004666 -0.001548 28O 1dxz -0.006007 -0.002264 0.003635 0.007279 0.005191 -0.002709 28O 1dyz -0.002798 -0.000513 0.002992 -0.005521 -0.002595 0.001359 28O 1dx2y2 0.001649 -0.002646 -0.001682 -0.003115 -0.007738 0.001073 28O 1dxy 0.000643 -0.007071 -0.005588 0.005005 0.001900 -0.002400 28O 2dz2 -0.025577 0.000643 0.019979 0.027738 0.009407 -0.016472 28O 2dxz -0.007250 -0.028441 0.007051 -0.016314 -0.065133 -0.013150 28O 2dyz -0.002583 -0.028975 0.025667 0.008829 0.002648 0.011289 28O 2dx2y2 -0.037641 0.007597 0.027589 0.019631 0.027406 -0.008949 28O 2dxy 0.016049 -0.029155 -0.002721 0.014405 -0.005886 -0.010093 28O 1f0 -0.000133 0.001830 0.000446 0.000003 0.003322 0.000642 28O 1f+1 -0.001901 0.001483 0.002028 -0.000514 -0.000145 0.000402 28O 1f-1 0.000725 0.003466 0.001930 0.000737 -0.000018 0.000981 28O 1f+2 0.000156 -0.002923 -0.000851 -0.002604 -0.004411 -0.000509 28O 1f-2 0.000900 -0.001550 -0.001672 0.000844 -0.000031 -0.000229 28O 1f+3 0.000064 -0.000578 -0.000706 -0.001287 -0.003536 0.000001 28O 1f-3 0.001242 -0.000333 -0.002152 0.001290 0.001144 -0.000324 29O 1s -0.006560 -0.000837 0.003609 0.001962 -0.004784 0.001109 29O 2s -0.015476 -0.002399 0.009076 0.005074 -0.009740 0.002192 29O 3s 0.012646 0.010985 -0.018429 -0.011901 -0.016442 0.003692 29O 4s 0.199809 -0.010432 -0.067518 -0.017402 0.297722 -0.073028 29O 5s -0.330476 -0.044766 0.171171 -0.019464 -0.707009 0.216937 29O 1pz 0.021398 -0.009689 0.008891 0.018916 0.007739 0.007559 29O 1px -0.045408 0.005310 0.011429 0.030053 -0.001929 -0.006851 29O 1py -0.007282 0.009408 0.014379 -0.001878 -0.016601 -0.010570 29O 2pz 0.026524 -0.003032 0.019777 0.039911 0.022209 0.003855 29O 2px -0.082354 0.015707 0.020773 0.050575 -0.045720 0.003730 29O 2py -0.000873 0.013738 0.017006 -0.008051 -0.024620 -0.008878 29O 3pz 0.142613 0.069838 -0.130699 -0.223356 0.204720 0.119631 29O 3px 0.232005 -0.051309 0.019128 -0.148564 0.075823 0.091631 29O 3py 0.039011 -0.034858 -0.085970 -0.027045 0.228511 -0.090509 29O 1dz2 -0.000144 0.001151 -0.001573 -0.001105 0.001288 -0.000723 29O 1dxz 0.001594 -0.000365 0.000407 0.001812 0.001795 0.000036 29O 1dyz 0.001409 0.000614 -0.000832 -0.000963 0.001231 0.001218 29O 1dx2y2 0.001161 -0.000210 0.000014 0.000890 0.001249 0.000072 29O 1dxy 0.000488 -0.000022 0.000992 -0.002174 -0.000984 0.000004 29O 2dz2 0.001637 -0.014413 0.008935 0.005718 -0.017848 -0.017711 29O 2dxz 0.015800 0.009698 -0.024813 -0.013248 0.027139 0.023679 29O 2dyz 0.001109 -0.011133 0.002005 -0.007914 -0.013929 0.003175 29O 2dx2y2 -0.002839 -0.005990 -0.003306 -0.002204 0.043130 -0.000764 29O 2dxy -0.011046 0.020858 -0.021931 0.012542 0.008961 -0.026204 29O 1f0 0.000451 0.000787 -0.001387 -0.000342 0.001728 -0.000590 29O 1f+1 -0.000618 0.000420 -0.000165 0.000028 0.000442 0.000970 29O 1f-1 -0.000108 0.001843 -0.001339 -0.000448 0.001556 -0.000150 29O 1f+2 -0.000903 -0.001058 0.001698 0.000699 -0.001809 -0.000299 29O 1f-2 0.000003 0.000257 -0.000289 0.000689 -0.000739 -0.001913 29O 1f+3 -0.000897 -0.000553 0.000531 0.000035 0.000418 0.001011 29O 1f-3 -0.000784 0.001052 -0.000718 0.000850 0.000843 0.000013 30O 1s 0.000537 -0.004945 -0.009543 0.006727 0.002381 0.007060 30O 2s 0.001289 -0.012939 -0.021547 0.014913 0.005487 0.016749 30O 3s 0.000801 0.042832 0.004582 -0.002378 -0.007176 -0.024052 30O 4s 0.058801 -0.026400 0.370176 -0.287466 -0.117422 -0.251545 30O 5s -1.340109 0.395511 -1.234762 1.507044 1.305090 1.682925 30O 1pz -0.013231 -0.038643 0.040992 -0.032076 0.018062 0.027433 30O 1px -0.003845 0.021128 -0.031812 0.016571 -0.002064 0.029216 30O 1py 0.080024 0.004342 -0.005481 0.033787 -0.058577 -0.026062 30O 2pz 0.000010 -0.020308 0.068652 -0.083370 0.005592 0.029460 30O 2px -0.075020 -0.007678 -0.140945 0.093242 0.082685 0.154604 30O 2py 0.208080 -0.094552 -0.019255 0.069312 -0.125198 -0.046850 30O 3pz 0.669540 0.156232 0.378674 -0.004757 -0.766187 -0.629672 30O 3px -0.389481 -0.478212 0.160538 0.332466 0.391963 0.443086 30O 3py -1.755566 0.409047 0.017284 0.347202 1.217758 1.158824 30O 1dz2 0.001507 -0.000994 0.007144 0.005146 -0.001098 0.006913 30O 1dxz -0.003795 -0.002451 -0.005933 0.001175 0.005597 0.001498 30O 1dyz -0.005916 -0.002939 -0.004111 0.000439 0.002852 0.002458 30O 1dx2y2 0.001158 0.004420 0.002783 0.000492 -0.003892 -0.003095 30O 1dxy 0.009164 -0.002997 -0.002394 -0.004893 -0.004500 -0.006479 30O 2dz2 0.033055 -0.022747 0.003144 -0.008667 -0.033079 -0.001555 30O 2dxz 0.021754 0.022664 -0.012047 -0.011737 -0.027449 -0.044136 30O 2dyz 0.021164 0.011546 0.026129 -0.047098 -0.013019 -0.028377 30O 2dx2y2 0.016016 -0.015190 -0.007908 -0.000904 -0.003745 -0.006367 30O 2dxy -0.008718 -0.053571 -0.010153 -0.016388 0.016503 0.031730 30O 1f0 -0.001935 -0.000523 -0.000053 -0.000124 0.002382 0.003492 30O 1f+1 0.000949 -0.002195 -0.003096 -0.001150 -0.000058 -0.001476 30O 1f-1 0.001072 0.001154 -0.000394 0.000199 -0.000134 -0.001373 30O 1f+2 -0.000564 0.004637 0.002072 -0.000930 -0.000740 -0.002064 30O 1f-2 0.000552 0.003158 0.001802 -0.000865 -0.000577 -0.001129 30O 1f+3 -0.000229 0.000086 0.001431 0.000415 -0.001288 -0.000717 30O 1f-3 0.000086 0.002419 -0.000922 -0.001735 -0.000936 -0.004810 31O 1s 0.000853 0.005366 -0.009300 0.006467 -0.002927 -0.007573 31O 2s 0.001804 0.013875 -0.020942 0.014219 -0.006723 -0.017909 31O 3s 0.004244 -0.042660 0.003089 0.000293 0.007662 0.024402 31O 4s 0.023068 0.010805 0.366265 -0.286772 0.137456 0.271538 31O 5s -1.120898 -0.389011 -1.200789 1.473898 -1.377216 -1.766138 31O 1pz 0.010768 -0.036211 -0.043461 0.033110 0.014570 0.027851 31O 1px 0.001944 0.021135 0.031948 -0.017396 -0.000304 0.029542 31O 1py -0.078700 -0.000284 0.007217 -0.036833 -0.055421 -0.026915 31O 2pz -0.001882 -0.017111 -0.071838 0.081889 -0.001422 0.028166 31O 2px 0.065027 -0.007863 0.136296 -0.089526 0.089705 0.160672 31O 2py -0.207386 -0.104919 0.020547 -0.072347 -0.118265 -0.048583 31O 3pz -0.617214 0.135963 -0.331753 -0.022852 -0.758418 -0.640504 31O 3px 0.359358 -0.471551 -0.177637 -0.290883 0.394704 0.448815 31O 3py 1.677063 0.468199 -0.044972 -0.301988 1.207556 1.196471 31O 1dz2 0.001598 0.000845 0.007003 0.004951 0.001041 -0.007084 31O 1dxz -0.003571 0.002514 -0.005568 0.000941 -0.005700 -0.001614 31O 1dyz -0.005758 0.002938 -0.003898 0.000169 -0.002901 -0.002544 31O 1dx2y2 0.001287 -0.004586 0.002500 0.000837 0.003923 0.003011 31O 1dxy 0.008492 0.003253 -0.002428 -0.004764 0.004506 0.006828 31O 2dz2 0.032492 0.023605 0.002657 -0.008003 0.032778 0.002178 31O 2dxz 0.020630 -0.020086 -0.013427 -0.008951 0.026779 0.045640 31O 2dyz 0.019474 -0.012910 0.025325 -0.045793 0.015783 0.029581 31O 2dx2y2 0.016870 0.016759 -0.007236 -0.000551 0.002958 0.006519 31O 2dxy -0.008930 0.053116 -0.007970 -0.019489 -0.016250 -0.031587 31O 1f0 0.001722 -0.000384 -0.000055 0.000255 0.002339 0.003530 31O 1f+1 -0.000906 -0.002290 0.003008 0.001164 -0.000005 -0.001530 31O 1f-1 -0.001132 0.001107 0.000413 -0.000285 -0.000101 -0.001371 31O 1f+2 0.000356 0.004718 -0.001918 0.000676 -0.000851 -0.002070 31O 1f-2 -0.000539 0.003161 -0.001705 0.000720 -0.000698 -0.001196 31O 1f+3 0.000227 0.000162 -0.001355 -0.000465 -0.001320 -0.000615 31O 1f-3 -0.000113 0.002348 0.000992 0.001478 -0.001011 -0.004912 32O 1s -0.006454 0.000788 0.003432 0.002145 0.004877 -0.001335 32O 2s -0.015183 0.002253 0.008710 0.005487 0.009939 -0.002729 32O 3s 0.011707 -0.010303 -0.018952 -0.011979 0.016585 -0.003151 32O 4s 0.201016 0.008613 -0.057163 -0.025043 -0.302935 0.079688 32O 5s -0.333583 0.051617 0.149013 -0.002080 0.721250 -0.229738 32O 1pz -0.021277 -0.010834 -0.009856 -0.017425 0.008693 0.007928 32O 1px 0.043833 0.004723 -0.010691 -0.031237 -0.001899 -0.005703 32O 1py 0.008969 0.009810 -0.013233 0.000574 -0.017536 -0.010704 32O 2pz -0.025900 -0.004381 -0.022259 -0.037423 0.023436 0.004083 32O 2px 0.080830 0.014284 -0.018237 -0.053743 -0.045688 0.005875 32O 2py 0.004718 0.013576 -0.015380 0.006569 -0.025314 -0.008678 32O 3pz -0.148630 0.078236 0.133258 0.223989 0.194738 0.121728 32O 3px -0.206955 -0.043283 -0.018899 0.159278 0.068127 0.086623 32O 3py -0.059671 -0.024786 0.076228 0.037854 0.234433 -0.091331 32O 1dz2 -0.000090 -0.001133 -0.001512 -0.000999 -0.001265 0.000795 32O 1dxz 0.001659 0.000371 0.000518 0.001730 -0.001865 0.000012 32O 1dyz 0.001486 -0.000637 -0.000873 -0.000995 -0.001319 -0.001231 32O 1dx2y2 0.001128 0.000278 0.000061 0.000873 -0.001293 -0.000037 32O 1dxy 0.000304 -0.000089 0.000912 -0.002109 0.001116 0.000043 32O 2dz2 0.003126 0.015017 0.009073 0.007740 0.016208 0.018680 32O 2dxz 0.014286 -0.010994 -0.024616 -0.014939 -0.027029 -0.024887 32O 2dyz 0.000636 0.011560 0.001496 -0.007749 0.013361 -0.003327 32O 2dx2y2 -0.001130 0.005315 -0.001482 -0.002984 -0.042887 0.000057 32O 2dxy -0.009853 -0.021020 -0.022648 0.013058 -0.010196 0.026740 32O 1f0 -0.000437 0.000688 0.001273 0.000369 0.001669 -0.000596 32O 1f+1 0.000679 0.000461 0.000145 0.000042 0.000388 0.001115 32O 1f-1 0.000189 0.001928 0.001361 0.000503 0.001557 -0.000215 32O 1f+2 0.000822 -0.001126 -0.001712 -0.000807 -0.001823 -0.000271 32O 1f-2 -0.000091 0.000134 0.000271 -0.000784 -0.000739 -0.001940 32O 1f+3 0.000864 -0.000513 -0.000563 -0.000035 0.000362 0.001013 32O 1f-3 0.000746 0.001053 0.000761 -0.000846 0.000920 0.000029 33O 1s 0.005047 -0.003448 0.003887 0.008947 -0.010265 0.004085 33O 2s 0.011092 -0.009101 0.008628 0.020001 -0.024476 0.007951 33O 3s 0.005543 0.030833 -0.003645 -0.003238 0.034786 0.022765 33O 4s -0.174638 -0.047871 -0.166831 -0.388465 0.295936 -0.292369 33O 5s -0.215937 1.008980 0.998148 1.662190 -1.567242 1.112152 33O 1pz 0.079698 -0.004933 0.060037 0.003740 0.041133 0.000190 33O 1px -0.002587 -0.015192 -0.019047 -0.042235 -0.004280 -0.027058 33O 1py 0.003875 -0.024169 0.012764 0.033160 0.038163 0.027053 33O 2pz 0.204085 -0.093755 0.117018 0.000054 0.032140 -0.016671 33O 2px 0.034359 -0.025797 -0.081732 -0.176487 0.112489 -0.085814 33O 2py 0.001371 -0.091592 0.035714 0.044167 0.112134 0.048787 33O 3pz -1.401600 0.697647 0.246691 0.696010 -0.961684 0.342901 33O 3px 0.145628 0.155907 -0.209729 -0.260637 0.834960 0.024322 33O 3py -0.271330 0.723732 -0.335558 0.230923 -0.828139 -0.013600 33O 1dz2 0.006546 0.001437 -0.004692 0.003787 -0.005123 0.001714 33O 1dxz -0.006018 0.002351 0.003800 0.006933 -0.005304 0.002137 33O 1dyz -0.002654 0.000133 0.002866 -0.005458 0.002958 -0.001312 33O 1dx2y2 0.001633 0.002627 -0.001816 -0.002845 0.007861 -0.000964 33O 1dxy 0.000390 0.007609 -0.005262 0.004806 -0.002308 0.002343 33O 2dz2 -0.025056 -0.001225 0.019724 0.027909 -0.009598 0.015260 33O 2dxz -0.007849 0.027174 0.006633 -0.013929 0.066377 0.014346 33O 2dyz -0.002995 0.029571 0.026260 0.007908 -0.002350 -0.012271 33O 2dx2y2 -0.036186 -0.009700 0.027428 0.019008 -0.026872 0.007631 33O 2dxy 0.015793 0.030488 -0.001760 0.014378 0.005098 0.009748 33O 1f0 0.000130 0.001844 -0.000446 0.000113 0.003332 0.000652 33O 1f+1 0.001728 0.001657 -0.001932 0.000452 -0.000308 0.000511 33O 1f-1 -0.000810 0.003567 -0.001833 -0.000828 -0.000054 0.001013 33O 1f+2 -0.000156 -0.002915 0.000840 0.002474 -0.004483 -0.000639 33O 1f-2 -0.000908 -0.001681 0.001582 -0.000855 0.000073 -0.000241 33O 1f+3 -0.000133 -0.000570 0.000754 0.001112 -0.003580 -0.000036 33O 1f-3 -0.001142 -0.000470 0.002093 -0.001243 0.001270 -0.000325 34O 1s -0.005633 -0.001304 0.009762 -0.004105 -0.000821 -0.008365 34O 2s -0.012653 -0.004002 0.021792 -0.008974 -0.002673 -0.019566 34O 3s 0.006559 0.020136 -0.003836 -0.006529 0.019114 0.024763 34O 4s 0.141407 -0.128835 -0.420966 0.207147 -0.035186 0.277841 34O 5s -0.334618 1.084232 1.987380 -0.236004 -0.213708 -1.577239 34O 1pz -0.041996 -0.039885 0.007975 -0.012694 -0.017685 0.032507 34O 1px 0.014050 0.034292 0.018622 -0.088897 0.015486 0.013299 34O 1py -0.008709 0.011389 -0.003371 0.074707 -0.034742 -0.012569 34O 2pz -0.143463 -0.117337 -0.014620 -0.024758 -0.076098 0.082448 34O 2px -0.046247 0.054377 0.142248 -0.142401 -0.010070 -0.093893 34O 2py 0.000319 0.100893 0.026724 0.118316 -0.047526 0.001512 34O 3pz 0.813799 0.495166 0.126107 0.306339 0.617985 -0.259362 34O 3px 0.067846 0.208975 0.753374 0.663366 -0.303929 -1.130937 34O 3py -0.016482 -0.927409 -0.340307 -0.464820 0.268770 0.139073 34O 1dz2 -0.000542 0.000135 0.002419 0.000326 -0.000970 -0.002993 34O 1dxz -0.007958 0.001203 -0.002639 -0.002720 -0.005321 0.000074 34O 1dyz 0.002562 -0.001459 0.001933 -0.001849 -0.000508 -0.004333 34O 1dx2y2 -0.001968 -0.001689 -0.008755 -0.002661 -0.001457 0.008002 34O 1dxy -0.003495 0.002032 0.001398 0.000409 -0.004490 0.002292 34O 2dz2 0.050444 -0.002923 -0.045564 -0.004149 0.028594 0.042651 34O 2dxz -0.005020 0.000262 -0.010692 0.002524 -0.014540 0.005303 34O 2dyz -0.013399 -0.009968 -0.012614 0.021844 -0.022053 -0.021814 34O 2dx2y2 0.006932 0.002218 0.004839 0.026721 -0.017082 -0.044013 34O 2dxy -0.003055 0.003576 -0.016131 -0.006371 0.015898 0.037073 34O 1f0 -0.002235 -0.001584 0.000697 -0.002063 -0.001489 -0.000813 34O 1f+1 -0.001355 -0.001485 -0.003099 -0.001751 0.000140 0.004453 34O 1f-1 0.000831 -0.000712 0.001408 0.001269 0.000205 0.000040 34O 1f+2 0.001008 -0.003787 0.000299 0.000475 0.001252 0.001314 34O 1f-2 -0.001676 -0.001227 0.001238 -0.000343 -0.001562 -0.001983 34O 1f+3 -0.000272 -0.000695 -0.001410 -0.000276 0.001750 0.004834 34O 1f-3 -0.003381 -0.001637 -0.000821 0.000199 -0.002510 0.000459 35O 1s -0.007105 -0.000510 -0.002098 -0.005766 -0.000578 0.002272 35O 2s -0.016404 0.000160 -0.004426 -0.012892 -0.001914 0.004905 35O 3s 0.016867 -0.027194 -0.007586 -0.000060 0.015279 0.002834 35O 4s 0.180517 0.208812 0.111909 0.258440 0.000759 -0.094578 35O 5s -0.731003 -0.767189 0.060122 -1.201010 -0.364636 0.077521 35O 1pz -0.006993 0.017791 -0.046255 -0.002727 0.006099 -0.000887 35O 1px 0.010167 -0.061775 -0.053489 -0.024683 -0.011212 -0.003165 35O 1py -0.035544 -0.011541 -0.048702 -0.012211 0.007377 0.046091 35O 2pz -0.012783 0.144820 -0.091550 0.016378 0.001264 0.001560 35O 2px -0.054033 -0.079127 -0.066730 -0.100295 -0.035173 -0.015493 35O 2py -0.140769 0.046190 -0.061530 0.004743 0.005439 0.136268 35O 3pz 0.006868 -0.909773 0.428383 -0.071235 -0.002202 -0.013668 35O 3px -0.434750 0.273174 0.429494 -0.056685 -0.352705 0.179537 35O 3py 0.487749 -0.552946 0.393890 -0.518553 -0.115975 -0.811493 35O 1dz2 -0.002976 -0.002432 0.003497 -0.003349 0.002078 -0.001728 35O 1dxz 0.000691 -0.001687 -0.001044 -0.002630 -0.000456 -0.003017 35O 1dyz 0.001329 -0.001344 -0.000846 -0.000064 0.000763 -0.001887 35O 1dx2y2 0.004190 -0.001173 0.001653 -0.003710 0.004743 -0.004515 35O 1dxy -0.000165 0.001765 -0.002178 0.005716 -0.001463 0.003762 35O 2dz2 0.002822 -0.031906 -0.004565 -0.000244 0.020331 0.012155 35O 2dxz -0.006841 0.008002 0.018773 0.001574 -0.020325 0.006391 35O 2dyz -0.011038 0.006140 -0.029741 -0.023429 -0.000327 -0.015460 35O 2dx2y2 -0.023679 -0.012780 0.026118 -0.005674 -0.000930 -0.005006 35O 2dxy -0.025072 0.014266 0.015027 -0.003772 -0.027113 0.009328 35O 1f0 0.000230 -0.001825 0.000055 -0.002635 -0.000133 -0.001690 35O 1f+1 0.001037 0.000237 -0.000088 -0.000971 0.003585 -0.000554 35O 1f-1 0.001747 -0.003917 0.000641 0.000197 -0.000384 -0.000920 35O 1f+2 -0.002023 0.002888 0.001687 -0.000252 0.000496 0.001190 35O 1f-2 0.000505 0.000385 0.000490 0.000338 0.001114 0.000526 35O 1f+3 0.001522 0.000729 -0.000300 -0.001689 0.002709 -0.001379 35O 1f-3 0.000713 0.000212 -0.002538 0.003082 0.000918 0.001876 252 253 254 255 256 257 0.84937 0.86112 0.86302 0.89163 0.89630 0.90568 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s 0.000635 0.000216 0.000062 -0.000058 -0.000740 -0.001850 0Rh 2s -0.001155 -0.001796 0.000148 0.000501 0.002694 0.006076 0Rh 3s 0.002992 0.000153 0.000454 -0.000032 -0.002660 -0.007060 0Rh 4s 0.004681 0.008686 -0.000910 -0.002444 -0.012325 -0.027346 0Rh 5s 0.008161 -0.016840 0.005228 0.005209 0.009657 0.012553 0Rh 6s -0.060943 0.022806 -0.018578 -0.009759 0.031876 0.109787 0Rh 7s 0.237243 -0.025253 0.098944 0.096664 -0.199749 -0.930075 0Rh 8s 0.023974 -0.195627 -0.160973 0.219489 -0.413833 0.151632 0Rh 1pz 0.000077 0.004437 -0.004276 -0.010094 0.010563 0.014990 0Rh 1px -0.003813 0.008094 0.000146 -0.004905 -0.002869 -0.002768 0Rh 1py -0.000576 -0.007587 -0.004547 0.006799 -0.000225 0.005856 0Rh 2pz -0.000399 -0.015252 0.014364 0.034500 -0.035846 -0.051063 0Rh 2px 0.012899 -0.027120 -0.000582 0.016767 0.009590 0.009671 0Rh 2py 0.001848 0.025911 0.015393 -0.023096 0.000694 -0.019825 0Rh 3pz 0.002798 0.010492 -0.003065 -0.019597 0.015258 0.025618 0Rh 3px -0.004952 0.004999 0.002080 -0.009542 -0.001486 -0.010311 0Rh 3py 0.001106 -0.014305 -0.005866 0.010252 0.001172 0.007308 0Rh 4pz -0.007811 0.038948 -0.066070 -0.104276 0.128677 0.166849 0Rh 4px -0.047101 0.121064 -0.006588 -0.050503 -0.041373 -0.004796 0Rh 4py -0.012902 -0.082609 -0.057642 0.081286 -0.008484 0.076430 0Rh 5pz 0.012926 -0.042401 0.134101 0.129247 -0.183399 -0.213320 0Rh 5px 0.055808 -0.167298 0.033385 0.061132 0.027210 -0.063363 0Rh 5py 0.027798 0.145488 0.072741 -0.115841 0.018002 -0.117700 0Rh 6pz -0.777572 0.435083 -0.682477 -0.821825 1.876877 1.860621 0Rh 6px -0.181556 0.439730 -0.344981 -0.493977 0.725065 1.958704 0Rh 6py -1.348557 -1.301607 0.130098 1.437107 -0.116387 1.630724 0Rh 1dz2 0.001891 0.006794 0.020854 -0.036821 -0.011523 0.009128 0Rh 1dxz -0.012715 -0.002979 -0.031914 -0.004229 0.013576 -0.002242 0Rh 1dyz -0.001676 0.013405 -0.004060 0.015207 -0.001066 -0.008891 0Rh 1dx2y2 0.006412 0.003696 -0.009901 -0.018579 -0.001786 0.007260 0Rh 1dxy -0.015788 -0.043439 0.006684 0.007101 -0.000868 0.004153 0Rh 2dz2 0.000184 -0.001148 -0.004456 0.006750 0.003223 -0.001088 0Rh 2dxz 0.002784 0.001428 0.006450 0.001124 -0.002323 0.000388 0Rh 2dyz 0.002149 -0.001870 0.000249 -0.003564 0.001073 0.002000 0Rh 2dx2y2 -0.001135 -0.001271 0.002481 0.004409 -0.001033 -0.002512 0Rh 2dxy 0.003718 0.008986 -0.002026 -0.001762 -0.000200 -0.001576 0Rh 3dz2 -0.004767 -0.009132 -0.023762 0.047114 0.010081 -0.014392 0Rh 3dxz 0.014097 -0.000001 0.038154 0.004070 -0.018168 0.002865 0Rh 3dyz -0.005992 -0.019638 0.007305 -0.016259 -0.002417 0.009774 0Rh 3dx2y2 -0.008258 -0.002155 0.009753 0.019576 0.007943 -0.004186 0Rh 3dxy 0.016247 0.051066 -0.005157 -0.007057 0.002567 -0.001797 0Rh 4dz2 0.003591 -0.019446 -0.081099 0.128819 0.054898 -0.020681 0Rh 4dxz 0.051328 0.023460 0.116200 0.018495 -0.044369 0.009103 0Rh 4dyz 0.038443 -0.035711 0.006420 -0.063112 0.016702 0.037188 0Rh 4dx2y2 -0.021285 -0.022635 0.043639 0.079854 -0.010433 -0.045632 0Rh 4dxy 0.071960 0.162411 -0.033722 -0.032892 -0.000829 -0.028749 0Rh 5dz2 -0.122254 -0.011612 0.182470 -0.288291 -0.144637 -0.019931 0Rh 5dxz -0.115244 -0.096164 -0.197715 -0.029693 0.057302 -0.026336 0Rh 5dyz -0.386819 -0.011659 0.046409 0.080049 -0.092353 -0.135848 0Rh 5dx2y2 0.001803 0.086008 -0.104556 -0.232170 0.047403 0.162299 0Rh 5dxy -0.296832 -0.301514 0.089454 0.076624 0.001054 0.107158 0Rh 1f0 -0.003349 -0.002403 0.007925 -0.007651 -0.003125 -0.007241 0Rh 1f+1 0.001704 0.008323 0.011981 0.005612 -0.007520 -0.000585 0Rh 1f-1 -0.006674 0.001933 0.009362 -0.004209 -0.001735 -0.023814 0Rh 1f+2 0.000148 0.006777 -0.006446 -0.021753 0.007784 0.021420 0Rh 1f-2 0.004026 0.014559 -0.003176 0.001087 0.004591 -0.000469 0Rh 1f+3 -0.000098 -0.003235 0.007394 0.008598 -0.003937 0.000856 0Rh 1f-3 -0.006697 0.022693 -0.001207 -0.006644 -0.004802 -0.002046 1Rh 1s -0.000636 0.000156 0.000049 0.000010 -0.000879 0.001787 1Rh 2s 0.001170 -0.001635 0.000205 -0.000328 0.003163 -0.005935 1Rh 3s -0.002993 -0.000098 0.000411 -0.000143 -0.003182 0.006778 1Rh 4s -0.004753 0.007980 -0.001175 0.001658 -0.014441 0.026741 1Rh 5s -0.008015 -0.016915 0.005490 -0.004636 0.010795 -0.012978 1Rh 6s 0.060707 0.027220 -0.017980 0.011978 0.039516 -0.104295 1Rh 7s -0.237370 -0.053520 0.093424 -0.111692 -0.265105 0.903730 1Rh 8s -0.021588 -0.177640 -0.193800 -0.237428 -0.385903 -0.181072 1Rh 1pz 0.000069 -0.004634 0.004276 -0.010968 -0.010709 0.014528 1Rh 1px -0.003664 -0.008265 0.000208 -0.004905 0.003407 -0.003033 1Rh 1py -0.001019 0.007658 0.004349 0.006618 -0.000587 0.006406 1Rh 2pz -0.000379 0.015921 -0.014372 0.037464 0.036342 -0.049492 1Rh 2px 0.012395 0.027695 -0.000618 0.016769 -0.011449 0.010558 1Rh 2py 0.003346 -0.026164 -0.014696 -0.022473 0.002062 -0.021693 1Rh 3pz 0.002913 -0.010791 0.003222 -0.020867 -0.015449 0.024866 1Rh 3px -0.004809 -0.005088 -0.001573 -0.009593 0.002958 -0.010407 1Rh 3py 0.000584 0.014645 0.005050 0.009845 -0.002320 0.008075 1Rh 4pz -0.008361 -0.041209 0.065541 -0.114903 -0.130394 0.161456 1Rh 4px -0.045042 -0.123788 0.010860 -0.050487 0.044969 -0.009121 1Rh 4py -0.018791 0.082650 0.057193 0.079640 -0.001597 0.083384 1Rh 5pz 0.013601 0.044971 -0.133188 0.144377 0.184939 -0.205123 1Rh 5px 0.052904 0.171899 -0.038977 0.062804 -0.026563 -0.056394 1Rh 5py 0.036790 -0.144722 -0.073525 -0.114035 -0.002744 -0.128465 1Rh 6pz -0.729814 -0.469566 0.666919 -0.964534 -1.895621 1.758679 1Rh 6px -0.170008 -0.485343 0.361466 -0.546715 -0.831443 1.903425 1Rh 6py -1.332391 1.246455 -0.111712 1.408595 -0.076658 1.748882 1Rh 1dz2 -0.001798 0.007499 0.020510 0.036075 -0.012808 -0.009823 1Rh 1dxz 0.013122 -0.002201 -0.031174 0.005008 0.013390 0.003411 1Rh 1dyz 0.001201 0.012798 -0.003927 -0.015331 -0.000654 0.008400 1Rh 1dx2y2 -0.006606 0.003790 -0.008736 0.018421 -0.002058 -0.007909 1Rh 1dxy 0.017486 -0.042069 0.006127 -0.006668 -0.000374 -0.005019 1Rh 2dz2 -0.000206 -0.001296 -0.004346 -0.006564 0.003470 0.001274 1Rh 2dxz -0.002862 0.001270 0.006330 -0.001248 -0.002271 -0.000580 1Rh 2dyz -0.002081 -0.001818 0.000252 0.003615 0.000949 -0.001886 1Rh 2dx2y2 0.001179 -0.001311 0.002227 -0.004433 -0.001025 0.002542 1Rh 2dxy -0.004043 0.008684 -0.001900 0.001629 -0.000376 0.001695 1Rh 3dz2 0.004675 -0.009946 -0.023534 -0.046366 0.011664 0.015032 1Rh 3dxz -0.014598 -0.000924 0.037148 -0.005151 -0.018009 -0.004472 1Rh 3dyz 0.006680 -0.018613 0.007015 0.016295 -0.002744 -0.009247 1Rh 3dx2y2 0.008468 -0.002180 0.008459 -0.019152 0.008479 0.005398 1Rh 3dxy -0.018339 0.049555 -0.004552 0.006727 0.002310 0.003085 1Rh 4dz2 -0.004052 -0.022228 -0.079099 -0.125592 0.059730 0.023915 1Rh 4dxz -0.052813 0.020540 0.113825 -0.020902 -0.043368 -0.012727 1Rh 4dyz -0.037132 -0.034549 0.006427 0.063928 0.014592 -0.035232 1Rh 4dx2y2 0.022084 -0.023317 0.038806 -0.079977 -0.010260 0.046600 1Rh 4dxy -0.078043 0.156656 -0.031392 0.030674 -0.004066 0.031107 1Rh 5dz2 0.123672 -0.002783 0.173924 0.280781 -0.157442 0.011637 1Rh 5dxz 0.119023 -0.089796 -0.193754 0.031993 0.054714 0.029641 1Rh 5dyz 0.385508 -0.005504 0.042873 -0.083159 -0.089507 0.132965 1Rh 5dx2y2 -0.003740 0.089242 -0.090481 0.233954 0.048776 -0.159294 1Rh 5dxy 0.308380 -0.283203 0.082997 -0.070812 0.012808 -0.107466 1Rh 1f0 -0.003295 0.002352 -0.007943 -0.007577 0.004257 -0.006912 1Rh 1f+1 0.001856 -0.008121 -0.012385 0.006045 0.007245 -0.000391 1Rh 1f-1 -0.006282 -0.002120 -0.009315 -0.003969 0.003096 -0.023988 1Rh 1f+2 0.000132 -0.007013 0.006487 -0.022592 -0.007494 0.020507 1Rh 1f-2 0.004697 -0.014483 0.003421 0.000970 -0.004328 -0.001219 1Rh 1f+3 -0.000409 0.003459 -0.007768 0.008662 0.003093 0.000879 1Rh 1f-3 -0.006133 -0.023241 0.001432 -0.006130 0.005120 -0.002333 2C 1s 0.003358 -0.000338 0.002709 0.000841 -0.001529 -0.003125 2C 2s 0.010961 -0.000671 0.006435 0.001012 -0.005373 -0.009809 2C 3s -0.159946 -0.046585 0.005086 0.061179 0.068381 0.120477 2C 4s 0.931915 0.400663 -0.009999 -0.358597 -0.443362 -0.526760 2C 5s -3.818462 -1.123446 -3.166039 -0.502709 2.404442 0.742641 2C 1pz -0.029525 -0.028267 -0.015152 -0.031419 0.045633 0.067853 2C 1px 0.046050 0.030972 0.073405 0.024343 0.101224 0.087805 2C 1py -0.079524 -0.011482 -0.037736 0.074068 0.035224 0.005071 2C 2pz 0.183460 -0.002762 -0.041143 -0.221257 0.048292 0.055857 2C 2px 0.210727 0.020446 0.140243 -0.111626 0.358738 0.211740 2C 2py -0.235680 0.052916 -0.360828 0.137326 0.118326 -0.197271 2C 3pz -0.469258 -0.291302 -0.535418 -0.288313 0.467767 0.160497 2C 3px -0.059975 0.136309 -0.023180 -0.133649 0.457860 0.458526 2C 3py -0.718944 -0.032887 -0.634064 0.231896 0.388162 -0.056677 2C 1dz2 0.000138 0.003170 -0.001489 0.003946 -0.001578 -0.001784 2C 1dxz 0.002393 -0.001238 -0.001495 -0.000944 -0.002254 -0.002887 2C 1dyz 0.002533 0.001659 -0.000160 -0.002183 0.000308 -0.002996 2C 1dx2y2 -0.003255 -0.000308 -0.001870 0.002975 0.000738 0.001757 2C 1dxy 0.001382 -0.002023 -0.000212 -0.001430 -0.002576 0.000179 2C 2dz2 -0.060210 -0.187764 -0.168563 -0.173657 0.205093 0.004242 2C 2dxz -0.490146 0.070319 -0.250765 0.219137 -0.076956 -0.143544 2C 2dyz -0.072186 -0.041563 0.022766 0.154029 0.455615 0.295344 2C 2dx2y2 0.100590 0.213549 0.157458 0.052870 0.340381 0.236051 2C 2dxy 0.110019 0.028167 0.275172 -0.176113 0.062500 0.389581 2C 1f0 0.005653 0.006860 -0.002924 0.002865 0.013704 -0.000725 2C 1f+1 0.003209 -0.002732 0.006637 -0.006425 0.008504 0.009944 2C 1f-1 -0.000501 -0.002301 -0.005810 -0.002573 0.005523 0.000350 2C 1f+2 -0.012015 -0.005258 -0.003463 0.001280 -0.009273 -0.005131 2C 1f-2 -0.005506 0.004547 -0.009759 -0.002084 -0.010785 -0.016561 2C 1f+3 -0.020422 -0.004975 -0.011511 0.008327 0.014477 -0.000790 2C 1f-3 0.007160 -0.000293 0.008061 0.001297 0.015668 0.014666 3C 1s -0.001829 -0.000062 -0.000893 0.001640 0.000716 -0.002242 3C 2s -0.005643 0.000454 -0.003404 0.005721 0.000491 -0.005311 3C 3s 0.066461 -0.015618 0.032698 -0.085529 0.082389 0.005738 3C 4s -0.346700 -0.015586 -0.083882 0.330025 -0.642004 0.046134 3C 5s 1.835323 0.381327 0.895123 0.136371 0.330083 1.144045 3C 1pz 0.030891 0.009421 -0.012592 -0.003974 -0.065195 0.032708 3C 1px -0.051163 -0.024498 0.031202 -0.095257 0.041345 -0.006607 3C 1py -0.035137 0.017283 -0.038142 0.013943 -0.071663 0.020141 3C 2pz 0.036505 0.046946 0.002306 0.059993 -0.446264 0.063019 3C 2px -0.196194 0.147138 -0.000449 -0.108267 0.061573 0.011154 3C 2py -0.022349 0.094425 -0.070628 -0.133475 -0.160779 -0.058057 3C 3pz 0.490372 0.099849 0.163546 -0.105736 -0.236655 0.123468 3C 3px 0.137224 0.162332 0.197844 -0.247337 0.054409 0.458948 3C 3py -0.274678 0.098723 -0.178213 -0.163892 -0.173559 -0.195425 3C 1dz2 0.001879 -0.000425 0.002267 -0.002528 0.001640 -0.006098 3C 1dxz 0.000610 -0.000842 -0.001112 0.001396 0.000308 -0.000918 3C 1dyz -0.001169 0.000192 -0.001129 0.000117 0.000097 0.003090 3C 1dx2y2 0.000980 0.000083 -0.001228 -0.000717 0.003043 -0.003325 3C 1dxy 0.002213 -0.001030 0.002014 -0.003361 0.003138 -0.001357 3C 2dz2 -0.016780 0.122445 -0.110477 0.028399 -0.275170 0.169988 3C 2dxz 0.324719 -0.143946 -0.018312 0.275538 0.011833 0.098025 3C 2dyz 0.135642 -0.007429 -0.023657 0.044155 -0.526978 -0.104843 3C 2dx2y2 -0.080407 -0.151135 0.060673 -0.105530 0.189940 0.144942 3C 2dxy -0.082051 0.106880 -0.190762 0.242133 0.068283 -0.071497 3C 1f0 -0.003573 -0.003030 -0.003927 0.001832 0.007572 0.002751 3C 1f+1 -0.012628 0.002165 0.000359 -0.005470 0.008372 0.002171 3C 1f-1 0.001361 0.003521 -0.000538 -0.001034 -0.017811 -0.007953 3C 1f+2 0.004537 0.001175 -0.000715 -0.003815 0.009683 -0.000832 3C 1f-2 0.003005 -0.001852 -0.001183 -0.000763 0.000935 -0.000196 3C 1f+3 0.009164 -0.007104 0.002181 0.007947 0.014244 0.001838 3C 1f-3 0.012731 -0.002935 -0.004286 0.009851 -0.015879 0.002391 4C 1s 0.000100 0.002145 -0.007482 -0.001395 -0.008902 -0.005924 4C 2s -0.000959 0.004724 -0.017160 -0.002603 -0.025251 -0.016610 4C 3s 0.183161 -0.006549 -0.039362 -0.080099 0.166799 -0.011349 4C 4s -1.461808 -0.012270 0.444381 0.556068 -0.179070 0.616850 4C 5s -0.699675 0.416189 1.877701 1.174570 0.234532 2.905979 4C 1pz 0.017675 0.037532 0.007240 0.003734 -0.030209 0.016488 4C 1px 0.037805 -0.071779 -0.029063 -0.023855 0.003755 -0.051313 4C 1py 0.029464 -0.007300 0.003278 -0.062758 0.021683 -0.018256 4C 2pz -0.428680 -0.236427 -0.223328 0.017112 0.295449 0.239925 4C 2px 0.227137 0.328297 0.622943 0.294631 0.219537 -0.127054 4C 2py -0.201951 -0.012324 0.092345 0.110500 0.257796 0.089308 4C 3pz -2.061380 -0.466328 -1.722281 -0.384918 0.772006 0.613567 4C 3px 1.628615 0.849465 1.423283 0.941708 0.256526 0.056655 4C 3py -0.558942 0.035961 -0.466869 -0.054021 0.665894 0.748062 4C 1dz2 -0.002733 -0.001319 -0.006697 -0.002122 0.000424 -0.001432 4C 1dxz 0.010623 0.005141 0.001583 0.002532 0.000779 -0.004999 4C 1dyz -0.004023 0.000185 -0.003565 -0.001720 0.009674 0.006309 4C 1dx2y2 -0.009761 -0.002371 0.003313 0.005687 0.000040 0.002009 4C 1dxy 0.005106 0.005014 0.007149 0.002699 0.003542 0.005321 4C 2dz2 0.202576 -0.179122 0.078439 -0.191571 0.012186 0.037976 4C 2dxz 0.048627 0.127322 0.162407 0.031138 0.005316 -0.170185 4C 2dyz -0.280466 -0.110999 0.025108 0.249999 0.069480 0.112325 4C 2dx2y2 -0.194117 0.055348 0.051807 -0.061188 0.220016 0.271102 4C 2dxy 0.015630 0.038809 0.343775 0.054275 0.027331 0.206457 4C 1f0 0.010682 0.003126 0.004052 -0.004733 -0.005369 -0.007231 4C 1f+1 0.026391 -0.000205 -0.008123 -0.009988 0.003963 -0.015395 4C 1f-1 0.005322 -0.002904 -0.012952 -0.006386 -0.000713 -0.009322 4C 1f+2 -0.012561 -0.009698 -0.002984 0.001752 0.000484 0.021033 4C 1f-2 0.008290 0.000390 0.007205 0.001030 0.004640 -0.001210 4C 1f+3 0.005366 -0.013610 -0.010371 -0.007172 -0.000372 0.004090 4C 1f-3 0.020923 -0.009011 -0.017366 -0.011089 -0.002465 -0.013139 5C 1s 0.005040 -0.002320 -0.002867 0.000753 -0.012787 0.003823 5C 2s 0.013450 -0.005977 -0.008283 0.002088 -0.032919 0.009560 5C 3s -0.110522 0.048313 0.038513 0.072179 0.085614 -0.000440 5C 4s 0.447465 -0.131655 0.204535 -0.599499 0.189145 -0.261983 5C 5s -0.676817 -0.322085 0.463911 -1.722587 1.406654 -1.343777 5C 1pz -0.009064 -0.004244 0.037078 -0.015275 -0.002874 -0.047012 5C 1px -0.016287 0.067159 -0.071804 0.043298 0.013706 -0.052437 5C 1py 0.037239 -0.016677 0.009773 -0.016086 0.010404 -0.049133 5C 2pz 0.074078 0.129719 -0.031858 0.136352 0.178604 0.101913 5C 2px -0.107783 -0.452837 0.307450 -0.415107 0.156829 -0.455327 5C 2py -0.081493 -0.054137 -0.048629 -0.093732 -0.307525 -0.063859 5C 3pz 0.434334 0.221662 0.193213 0.406967 -0.059958 0.682125 5C 3px -1.161959 -1.189279 0.985610 -1.155984 0.012542 -0.848178 5C 3py -1.189219 -0.116858 -0.688887 0.225347 0.419416 -0.421471 5C 1dz2 -0.002728 0.001982 -0.002646 0.004763 -0.004150 -0.001718 5C 1dxz -0.002970 -0.003550 0.005410 -0.000046 -0.001259 0.000088 5C 1dyz -0.005445 0.000906 -0.002124 0.001529 -0.004777 -0.001847 5C 1dx2y2 -0.001162 -0.002569 0.001525 -0.006830 0.005834 -0.003232 5C 1dxy 0.008333 0.002921 -0.003730 0.004603 0.000449 0.001614 5C 2dz2 -0.188797 0.164276 -0.132680 0.172932 -0.334754 0.272658 5C 2dxz 0.153959 -0.172357 -0.002214 0.014250 -0.022785 0.083020 5C 2dyz 0.032285 -0.087429 0.060646 0.047232 -0.210052 -0.096726 5C 2dx2y2 -0.020480 -0.105318 0.094810 -0.142343 -0.011256 0.073931 5C 2dxy 0.052058 0.119000 -0.107334 0.144762 0.023394 0.158116 5C 1f0 0.001331 -0.009424 0.009538 -0.008793 -0.005510 -0.004209 5C 1f+1 -0.003682 0.009067 -0.008781 0.011773 -0.004659 0.008230 5C 1f-1 0.000523 -0.004575 0.000187 -0.002468 0.007036 -0.000658 5C 1f+2 -0.001547 0.005428 -0.006479 -0.003118 0.004920 0.001641 5C 1f-2 0.002451 0.008215 -0.004279 -0.001674 0.005808 0.005128 5C 1f+3 -0.014035 0.015220 -0.008843 0.017047 -0.006025 0.007128 5C 1f-3 0.002312 0.001563 -0.001108 -0.014790 0.007723 -0.004010 6C 1s -0.004952 -0.002409 -0.003192 -0.001320 -0.012694 -0.004501 6C 2s -0.013221 -0.006290 -0.009002 -0.003557 -0.032683 -0.011264 6C 3s 0.109316 0.055699 0.032168 -0.068601 0.091068 0.001208 6C 4s -0.447088 -0.171236 0.257254 0.611842 0.146055 0.291196 6C 5s 0.707878 -0.357401 0.608333 1.774382 1.276272 1.477958 6C 1pz -0.009406 0.003838 -0.036026 -0.015403 0.005283 -0.046863 6C 1px -0.015441 -0.067623 0.073360 0.043873 -0.012894 -0.053312 6C 1py 0.036291 0.020121 -0.010630 -0.016479 -0.006634 -0.048882 6C 2pz 0.086868 -0.129185 0.030560 0.126810 -0.194701 0.096999 6C 2px -0.134232 0.459360 -0.324190 -0.416458 -0.105004 -0.466464 6C 2py -0.092669 0.051547 0.055004 -0.078825 0.318288 -0.052899 6C 3pz 0.478160 -0.239188 -0.162727 0.402408 0.015788 0.713118 6C 3px -1.228973 1.172962 -0.989188 -1.153788 0.096695 -0.845047 6C 3py -1.219982 0.108435 0.661872 0.214969 -0.421373 -0.498387 6C 1dz2 0.002797 0.002128 -0.002705 -0.004991 -0.003943 0.001422 6C 1dxz 0.003036 -0.003382 0.005075 -0.000017 -0.001243 -0.000158 6C 1dyz 0.005536 0.000992 -0.001922 -0.001792 -0.004619 0.001592 6C 1dx2y2 0.001383 -0.002821 0.001906 0.007079 0.005243 0.003790 6C 1dxy -0.008688 0.002634 -0.003764 -0.004629 0.000796 -0.001669 6C 2dz2 0.189683 0.175843 -0.133559 -0.188531 -0.310261 -0.291879 6C 2dxz -0.152256 -0.179014 -0.008274 -0.013720 -0.018998 -0.089445 6C 2dyz -0.026152 -0.083702 0.046778 -0.056664 -0.213552 0.086383 6C 2dx2y2 0.023756 -0.100696 0.099777 0.142764 -0.015375 -0.070152 6C 2dxy -0.063292 0.120943 -0.122364 -0.139377 0.040971 -0.156012 6C 1f0 0.000699 0.009575 -0.009635 -0.008459 0.006405 -0.003901 6C 1f+1 -0.003440 -0.009416 0.009616 0.011866 0.003425 0.008759 6C 1f-1 0.000441 0.004619 -0.000242 -0.002763 -0.006736 -0.001121 6C 1f+2 -0.001414 -0.005409 0.006340 -0.003362 -0.004899 0.001285 6C 1f-2 0.003086 -0.007961 0.003866 -0.002053 -0.005986 0.004633 6C 1f+3 -0.013645 -0.016142 0.009659 0.017478 0.004476 0.007545 6C 1f-3 0.002222 -0.001145 -0.000022 -0.015058 -0.006800 -0.004805 7C 1s -0.000163 0.002008 -0.007377 0.000930 -0.009149 0.005349 7C 2s 0.000803 0.004450 -0.016854 0.001295 -0.025877 0.014957 7C 3s -0.183093 -0.015211 -0.043318 0.088568 0.160114 0.024939 7C 4s 1.465954 0.057421 0.463848 -0.563472 -0.116964 -0.639371 7C 5s 0.655154 0.513780 1.910250 -1.178027 0.412815 -2.913602 7C 1pz 0.017135 -0.037396 -0.004437 0.004875 0.028268 0.016358 7C 1px 0.038540 0.074412 0.027733 -0.023725 0.001993 -0.051791 7C 1py 0.029837 0.009287 -0.003901 -0.063546 -0.016728 -0.020277 7C 2pz -0.450067 0.217006 0.230652 0.001778 -0.311744 0.227176 7C 2px 0.264056 -0.311680 -0.632380 0.281183 -0.216974 -0.135177 7C 2py -0.202027 0.006480 -0.091471 0.096610 -0.266656 0.079784 7C 3pz -2.129262 0.417888 1.741604 -0.432252 -0.804913 0.559320 7C 3px 1.731475 -0.787280 -1.473104 0.927633 -0.280578 0.057385 7C 3py -0.563565 -0.040406 0.496388 -0.091884 -0.686792 0.705840 7C 1dz2 0.002995 -0.001260 -0.006949 0.002068 0.000508 0.001495 7C 1dxz -0.011021 0.004695 0.001758 -0.002431 0.000631 0.005038 7C 1dyz 0.004107 0.000236 -0.003510 0.002128 0.009755 -0.005789 7C 1dx2y2 0.009839 -0.001843 0.003598 -0.005706 0.000542 -0.002231 7C 1dxy -0.005503 0.004832 0.007131 -0.002383 0.003925 -0.005259 7C 2dz2 -0.196341 -0.184036 0.077423 0.195134 -0.000945 -0.041097 7C 2dxz -0.057918 0.120807 0.167191 -0.032143 -0.006308 0.173198 7C 2dyz 0.282576 -0.095701 0.031830 -0.245668 0.089488 -0.112769 7C 2dx2y2 0.196744 0.063947 0.054186 0.070636 0.224930 -0.259513 7C 2dxy -0.020087 0.038403 0.336575 -0.049809 0.040079 -0.210855 7C 1f0 0.010666 -0.002689 -0.003377 -0.004430 0.005945 -0.007041 7C 1f+1 0.026644 0.001512 0.008140 -0.010180 -0.002470 -0.015910 7C 1f-1 0.004886 0.003199 0.013273 -0.006343 0.001463 -0.009544 7C 1f+2 -0.013190 0.008733 0.002769 0.001720 -0.001550 0.021350 7C 1f-2 0.008740 0.000085 -0.007358 0.000717 -0.004489 -0.001392 7C 1f+3 0.004854 0.013631 0.010233 -0.007138 0.000476 0.004316 7C 1f-3 0.020514 0.009939 0.017281 -0.010949 0.003659 -0.013333 8C 1s 0.001887 -0.000074 -0.000798 -0.001605 0.000759 0.002322 8C 2s 0.005789 0.000517 -0.003246 -0.005709 0.000707 0.005442 8C 3s -0.068051 -0.020729 0.038018 0.089231 0.076817 -0.002395 8C 4s 0.363199 0.012990 -0.118196 -0.358624 -0.616985 -0.075133 8C 5s -1.942861 0.381806 0.826242 -0.102254 0.357074 -1.214001 8C 1pz 0.030380 -0.008033 0.011448 -0.001498 0.063477 0.039203 8C 1px -0.054076 0.021801 -0.034117 -0.096602 -0.037583 -0.011103 8C 1py -0.036809 -0.019400 0.037271 0.017231 0.068376 0.021696 8C 2pz 0.030561 -0.048080 -0.004078 0.078202 0.435425 0.096818 8C 2px -0.201745 -0.161023 -0.002430 -0.108228 -0.062778 -0.000801 8C 2py -0.029694 -0.089139 0.052356 -0.125396 0.165722 -0.053764 8C 3pz 0.498218 -0.083978 -0.165433 -0.098253 0.240937 0.159622 8C 3px 0.142356 -0.178138 -0.193639 -0.246437 -0.070280 0.451389 8C 3py -0.292064 -0.096816 0.149497 -0.150819 0.176317 -0.207873 8C 1dz2 -0.001855 -0.000552 0.002255 0.002579 0.001191 0.006174 8C 1dxz -0.000538 -0.000867 -0.001241 -0.001349 0.000354 0.000794 8C 1dyz 0.001152 0.000198 -0.001028 -0.000125 0.000250 -0.003279 8C 1dx2y2 -0.000998 -0.000015 -0.001153 0.000806 0.002869 0.003438 8C 1dxy -0.002241 -0.001120 0.002070 0.003542 0.002861 0.001607 8C 2dz2 0.014359 0.123685 -0.107249 -0.045736 -0.263177 -0.187079 8C 2dxz -0.336568 -0.161488 -0.026281 -0.270323 0.029812 -0.112833 8C 2dyz -0.130910 -0.016883 -0.021865 -0.068327 -0.525510 0.073244 8C 2dx2y2 0.081896 -0.142213 0.056520 0.118062 0.187711 -0.121936 8C 2dxy 0.080650 0.106273 -0.200858 -0.236694 0.077590 0.078087 8C 1f0 -0.003638 0.002735 0.004322 0.001366 -0.007622 0.001772 8C 1f+1 -0.012710 -0.002860 -0.000464 -0.005805 -0.008353 0.001152 8C 1f-1 0.000996 -0.003466 0.000470 -0.000179 0.018078 -0.007041 8C 1f+2 0.004721 -0.000922 0.000154 -0.004173 -0.009087 -0.001448 8C 1f-2 0.003139 0.002262 0.000886 -0.000881 -0.001200 0.000005 8C 1f+3 0.009508 0.007319 -0.001734 0.007038 -0.014673 0.001426 8C 1f-3 0.013025 0.003580 0.004468 0.010492 0.015212 0.003821 9C 1s -0.003416 -0.000414 0.002729 -0.000978 -0.001679 0.003008 9C 2s -0.011115 -0.000979 0.006425 -0.001440 -0.005887 0.009475 9C 3s 0.162223 -0.039449 0.006904 -0.056011 0.077596 -0.119504 9C 4s -0.954397 0.359043 -0.014059 0.327645 -0.487437 0.519957 9C 5s 3.961826 -1.049997 -3.234206 0.658764 2.437970 -0.610567 9C 1pz -0.031386 0.026773 0.016684 -0.033538 -0.045843 0.065572 9C 1px 0.050236 -0.029648 -0.074233 0.016943 -0.105096 0.084994 9C 1py -0.079320 0.008983 0.034301 0.072014 -0.041719 0.004580 9C 2pz 0.176084 0.012675 0.056890 -0.222401 -0.036643 0.048629 9C 2px 0.222859 -0.008233 -0.143683 -0.136873 -0.355400 0.200406 9C 2py -0.229718 -0.056905 0.347475 0.130285 -0.126045 -0.203468 9C 3pz -0.498437 0.289693 0.552017 -0.313038 -0.454793 0.135028 9C 3px -0.058026 -0.131731 0.033136 -0.170619 -0.474378 0.435789 9C 3py -0.725597 0.014713 0.626869 0.202061 -0.417440 -0.077452 9C 1dz2 -0.000206 0.003129 -0.001632 -0.003979 -0.001403 0.001724 9C 1dxz -0.002445 -0.001278 -0.001412 0.000717 -0.002408 0.002905 9C 1dyz -0.002575 0.001514 -0.000135 0.002162 -0.000006 0.003100 9C 1dx2y2 0.003266 -0.000121 -0.001855 -0.002928 0.001009 -0.001678 9C 1dxy -0.001381 -0.002078 -0.000250 0.001229 -0.002655 -0.000269 9C 2dz2 0.059795 -0.187612 -0.160039 0.184574 0.189332 0.003603 9C 2dxz 0.501020 0.085697 -0.250837 -0.222185 -0.069291 0.147588 9C 2dyz 0.078365 -0.039881 0.015699 -0.128594 0.478534 -0.273529 9C 2dx2y2 -0.110760 0.209410 0.161338 -0.037727 0.346808 -0.211876 9C 2dxy -0.105937 0.032716 0.258700 0.176719 0.079157 -0.394445 9C 1f0 0.006111 -0.006536 0.002067 0.002142 -0.013520 -0.001458 9C 1f+1 0.003306 0.002769 -0.006218 -0.006848 -0.008618 0.009587 9C 1f-1 -0.000759 0.002392 0.005982 -0.002777 -0.005697 0.000206 9C 1f+2 -0.012627 0.004942 0.003332 0.001813 0.008756 -0.004124 9C 1f-2 -0.005880 -0.004438 0.009723 -0.001230 0.011556 -0.016325 9C 1f+3 -0.020951 0.004245 0.011384 0.007505 -0.014493 -0.001878 9C 1f-3 0.006857 0.000719 -0.007679 0.000590 -0.016897 0.014195 10H 1s 0.012168 0.010225 0.016664 0.007683 0.008867 0.015996 10H 2s -0.497566 -0.217836 -0.327803 0.082859 -0.584771 -0.349677 10H 3s 0.392687 0.035869 0.205459 -0.036926 -0.239977 -0.162580 10H 1pz -0.013106 0.006591 0.010055 0.015488 -0.016796 -0.001238 10H 1px 0.057500 0.021588 0.036497 -0.006311 0.026704 0.019982 10H 1py -0.014408 0.005028 -0.004601 0.003073 -0.004105 -0.000050 11H 1s 0.011124 0.005211 0.003443 0.001913 -0.010406 -0.011286 11H 2s 0.727930 -0.066717 0.715030 -0.296110 0.384309 0.710206 11H 3s 0.592675 0.204259 0.303683 -0.029042 -0.380933 -0.251646 11H 1pz -0.001917 -0.017969 0.008594 -0.003654 0.013158 0.020777 11H 1px 0.032118 -0.008125 0.030896 -0.010225 0.017791 0.030844 11H 1py -0.024506 0.001324 -0.032062 0.015707 -0.019843 -0.037118 12H 1s 0.009456 -0.002369 0.007811 -0.006275 -0.014906 0.004112 12H 2s -0.208555 0.087279 -0.126823 0.482211 0.500842 -0.011486 12H 3s 0.604498 0.354034 0.341414 0.029577 -0.307876 -0.097903 12H 1pz 0.007968 -0.017853 -0.002878 -0.028712 -0.014419 -0.012952 12H 1px -0.002991 -0.007607 -0.010338 -0.002025 0.014125 -0.008992 12H 1py -0.031722 -0.002032 -0.027921 0.016218 0.040569 -0.003523 13H 1s -0.007069 -0.007661 0.009196 -0.019107 0.003068 -0.011794 13H 2s 0.538801 -0.159756 -0.007440 0.295553 -0.409127 -0.036297 13H 3s -0.145486 -0.002937 -0.143009 0.033391 -0.062099 -0.148602 13H 1pz 0.029284 -0.005910 0.003300 0.012050 -0.016995 -0.000254 13H 1px -0.036552 0.006381 0.002618 -0.013496 0.013652 -0.001573 13H 1py 0.001655 0.023715 -0.012747 0.009131 0.003089 -0.003100 14H 1s -0.000462 -0.006348 -0.001442 0.001804 -0.001030 -0.001779 14H 2s -0.375252 0.174583 0.061067 -0.467264 -0.200702 -0.094342 14H 3s -0.070169 -0.075003 0.094700 -0.087387 -0.138484 0.056183 14H 1pz -0.013410 0.012354 0.001963 -0.009974 -0.005076 -0.009067 14H 1px -0.010732 0.027945 -0.003378 -0.012953 -0.007383 -0.007828 14H 1py -0.015264 -0.011292 0.017717 -0.029629 -0.009493 0.009299 15H 1s -0.001312 -0.004254 0.004664 -0.002842 -0.017715 -0.003795 15H 2s -0.178094 -0.233608 0.114413 -0.059510 0.970291 -0.025219 15H 3s -0.297577 -0.119607 -0.154591 0.091589 -0.381507 -0.032856 15H 1pz 0.008396 0.017113 -0.006940 0.007100 -0.054350 -0.001543 15H 1px -0.017511 -0.000474 -0.001995 0.000435 0.010755 0.002997 15H 1py -0.001743 -0.001778 0.008213 -0.006909 -0.052145 -0.023002 16H 1s -0.005547 -0.002514 -0.002733 -0.007266 0.004244 -0.005140 16H 2s 0.012254 0.109800 0.130514 -0.058651 -0.033927 0.040782 16H 3s 0.017579 0.093850 0.144811 -0.128157 0.021765 -0.016070 16H 1pz -0.003378 -0.010081 0.020106 0.000340 -0.016465 -0.001008 16H 1px -0.010009 -0.040970 -0.027869 -0.021721 0.035615 0.038386 16H 1py 0.001568 0.024074 -0.023657 -0.010502 0.026118 0.022578 17H 1s 0.005086 0.002697 0.004787 0.010585 -0.005323 -0.002883 17H 2s 0.085345 0.168393 -0.192511 -0.040543 0.210285 0.254122 17H 3s 0.033438 0.027912 -0.095244 0.080312 0.124775 -0.113163 17H 1pz -0.004738 0.048723 -0.002406 -0.027564 0.011199 0.001821 17H 1px 0.005228 -0.029196 0.043931 0.033817 -0.033618 -0.020147 17H 1py 0.009685 0.021007 0.009141 0.001021 0.005015 0.014553 18H 1s -0.005085 0.002445 0.005186 -0.011221 -0.005698 0.003014 18H 2s -0.087246 0.162773 -0.187466 0.053929 0.221588 -0.238922 18H 3s -0.033563 0.015583 -0.081075 -0.075731 0.117675 0.124542 18H 1pz -0.003307 -0.048342 0.003039 -0.027114 -0.009989 0.000034 18H 1px 0.004479 0.029217 -0.045013 0.036452 0.034094 -0.018616 18H 1py 0.010452 -0.021966 -0.009813 0.000960 -0.006191 0.013512 19H 1s 0.005571 -0.002899 -0.002042 0.007412 0.003173 0.005842 19H 2s -0.011762 0.113249 0.133168 0.057277 -0.031093 -0.039358 19H 3s -0.017758 0.091788 0.148754 0.125874 0.011939 0.019283 19H 1pz -0.003871 0.009456 -0.019916 0.000523 0.016790 -0.000359 19H 1px -0.010799 0.041641 0.026701 -0.024074 -0.035260 0.036992 19H 1py 0.001627 -0.022722 0.023325 -0.010692 -0.027613 0.022377 20H 1s 0.001881 -0.004524 0.004613 0.002069 -0.017864 0.002205 20H 2s 0.172343 -0.227759 0.103698 0.102952 0.956517 0.087839 20H 3s 0.320651 -0.109837 -0.160625 -0.109000 -0.374183 0.019017 20H 1pz 0.008007 -0.016765 0.006039 0.009643 0.053398 0.001781 20H 1px -0.017636 -0.000157 0.002133 0.000225 -0.011347 0.002617 20H 1py -0.003394 0.002259 -0.008468 -0.004704 0.052835 -0.019387 21H 1s 0.000965 -0.006603 -0.001464 -0.001687 -0.001039 0.001353 21H 2s 0.399403 0.188043 0.090893 0.450899 -0.216004 0.090140 21H 3s 0.082425 -0.073642 0.089509 0.077318 -0.139240 -0.055773 21H 1pz -0.013731 -0.012923 -0.003100 -0.009516 0.005589 -0.009244 21H 1px -0.011164 -0.028179 0.001963 -0.012136 0.007820 -0.007702 21H 1py -0.016432 0.010353 -0.018551 -0.028948 0.010160 0.009771 22H 1s 0.007862 -0.007603 0.009414 0.019118 0.001605 0.012718 22H 2s -0.547149 -0.194270 -0.005732 -0.308801 -0.399562 -0.017590 22H 3s 0.156458 -0.005010 -0.138774 -0.036340 -0.068081 0.151942 22H 1pz 0.029567 0.007436 -0.003987 0.012340 0.016406 0.001927 22H 1px -0.037837 -0.008284 -0.002556 -0.013938 -0.013359 -0.003849 22H 1py 0.001639 -0.023682 0.012918 0.008820 -0.003225 -0.003825 23H 1s -0.009959 -0.002460 0.008061 0.005094 -0.015231 -0.004710 23H 2s 0.185808 0.092222 -0.089972 -0.452126 0.526861 0.030209 23H 3s -0.634530 0.336376 0.343803 -0.044732 -0.311704 0.090326 23H 1pz 0.006711 0.018071 0.003602 -0.027755 0.017024 -0.011964 23H 1px -0.001910 0.007735 0.008463 -0.002997 -0.013148 -0.009333 23H 1py -0.031422 0.001370 0.026180 0.013468 -0.041455 -0.005154 24H 1s -0.011481 0.004955 0.004041 -0.002752 -0.010708 0.010776 24H 2s -0.738442 -0.088124 0.695152 0.320175 0.387539 -0.702150 24H 3s -0.608815 0.183710 0.314148 0.002855 -0.393627 0.232766 24H 1pz -0.002775 0.017800 -0.007057 -0.004949 -0.013809 0.020186 24H 1px 0.032512 0.009663 -0.029872 -0.011886 -0.018285 0.030767 24H 1py -0.024436 -0.001772 0.031146 0.016601 0.020042 -0.036379 25H 1s -0.013275 0.009913 0.017293 -0.007226 0.009555 -0.015829 25H 2s 0.523385 -0.194142 -0.334188 -0.122018 -0.586640 0.325579 25H 3s -0.406253 0.027172 0.217826 0.018631 -0.254263 0.148043 25H 1pz -0.014525 -0.007041 -0.008676 0.016271 0.015599 -0.000680 25H 1px 0.060006 -0.019124 -0.037217 -0.007920 -0.026372 0.018729 25H 1py -0.013359 -0.006107 0.003782 0.003506 0.003379 0.000347 26O 1s -0.000426 -0.009851 -0.016342 -0.012811 0.003000 0.005835 26O 2s 0.000955 -0.022339 -0.035620 -0.029008 0.008032 0.012821 26O 3s -0.043397 0.008796 -0.011679 0.006863 -0.020477 0.016946 26O 4s 0.207295 0.332970 0.761323 0.530545 -0.020176 -0.363229 26O 5s -0.147802 -1.292353 -2.887185 -1.994294 -0.437245 0.017774 26O 1pz 0.003612 -0.019964 -0.009817 -0.021911 -0.043854 -0.066063 26O 1px 0.047225 -0.025068 0.041922 0.007779 -0.012083 -0.046980 26O 1py 0.025485 -0.016656 -0.002067 -0.021556 -0.017730 -0.054929 26O 2pz -0.058433 -0.056766 -0.070170 -0.069197 -0.108956 -0.198376 26O 2px 0.031435 0.065206 0.257472 0.110443 -0.020395 -0.021844 26O 2py -0.011994 -0.006882 0.035336 -0.055221 -0.064037 -0.102658 26O 3pz 0.458609 0.315869 0.434980 0.352422 0.475298 1.251165 26O 3px -0.841056 0.108033 0.269390 0.484727 0.796693 0.851779 26O 3py -0.153409 0.442156 0.233732 0.420485 0.821444 0.926095 26O 1dz2 0.001888 -0.000331 -0.003494 -0.003619 -0.002411 -0.003232 26O 1dxz 0.004212 0.004731 0.004219 -0.000321 -0.001981 0.001587 26O 1dyz -0.002636 -0.002029 0.002613 0.001312 -0.001872 -0.001584 26O 1dx2y2 -0.001384 0.001162 0.004002 0.003251 0.004537 0.003781 26O 1dxy -0.003076 0.004159 0.004975 0.002438 0.005109 0.002448 26O 2dz2 -0.016782 -0.007740 0.048463 0.020498 0.019315 0.023302 26O 2dxz 0.041150 0.009946 0.003623 -0.011547 -0.001121 0.010250 26O 2dyz -0.003917 0.017102 -0.017032 0.001405 0.021035 0.022696 26O 2dx2y2 0.028271 -0.018692 -0.023422 -0.018221 0.003061 -0.016141 26O 2dxy 0.041502 -0.034371 -0.008226 -0.023495 -0.004303 -0.008329 26O 1f0 -0.000420 -0.002607 -0.000857 0.000148 0.000976 -0.000572 26O 1f+1 0.001904 -0.000986 -0.004133 -0.001189 -0.000102 -0.001593 26O 1f-1 0.002729 -0.000925 -0.002530 -0.000765 -0.000611 -0.000209 26O 1f+2 -0.001792 0.001333 0.001842 0.001883 -0.001076 0.000298 26O 1f-2 0.002164 0.000757 0.000390 -0.001161 -0.000969 0.000086 26O 1f+3 0.001245 0.000674 -0.000960 -0.002243 0.000622 -0.000342 26O 1f-3 0.002920 -0.001831 -0.003090 -0.003738 0.000132 -0.000587 27O 1s 0.001381 0.020231 -0.012894 0.001458 0.004097 0.004675 27O 2s 0.002255 0.044247 -0.027411 0.003672 0.010086 0.009440 27O 3s 0.018768 0.014520 -0.023472 -0.016288 -0.010758 0.016892 27O 4s -0.155692 -0.880455 0.634581 -0.007882 -0.094374 -0.345406 27O 5s 0.692330 2.884055 -2.275690 1.292137 -0.268670 1.853118 27O 1pz 0.000801 0.016562 -0.013718 0.039080 -0.008949 0.000369 27O 1px -0.026346 -0.014867 -0.023117 0.057233 0.016062 -0.025844 27O 1py -0.012152 0.000694 0.026694 -0.075259 0.028594 -0.012623 27O 2pz 0.040480 0.060127 -0.054652 0.158229 -0.033003 0.018317 27O 2px -0.031060 -0.213431 0.086321 0.001748 0.047821 -0.114425 27O 2py -0.109167 0.013260 0.024832 -0.158840 0.095414 -0.008263 27O 3pz -0.348524 0.081532 0.185468 -0.727842 -0.014242 -0.287036 27O 3px 0.103367 -0.005584 0.469156 -1.298584 0.600051 -0.617983 27O 3py 0.674701 0.050115 -0.090639 1.025322 -0.675888 -0.040457 27O 1dz2 -0.001234 0.000678 -0.004293 0.004888 -0.002158 0.005895 27O 1dxz -0.003776 0.000865 0.000610 -0.000177 -0.002300 -0.001844 27O 1dyz -0.001266 -0.001390 0.002201 -0.001735 -0.001570 0.000075 27O 1dx2y2 -0.002564 -0.002892 0.003161 -0.006015 0.004508 -0.002715 27O 1dxy 0.000627 0.003384 -0.001749 0.002955 -0.001308 0.000536 27O 2dz2 0.004275 0.003850 0.012048 0.007347 -0.029718 0.004516 27O 2dxz -0.013467 -0.009534 -0.009670 -0.001593 0.001123 0.002252 27O 2dyz -0.002398 -0.009557 -0.011501 0.006947 -0.017551 0.001121 27O 2dx2y2 -0.025217 0.040682 -0.029503 0.061180 -0.032012 0.027608 27O 2dxy 0.014497 -0.020966 -0.005564 -0.005733 0.009006 -0.016329 27O 1f0 0.001759 0.000154 -0.000993 0.000206 0.000904 0.001076 27O 1f+1 0.000240 0.002295 -0.001679 0.002807 0.000019 -0.000304 27O 1f-1 -0.000188 -0.001086 -0.000295 -0.001055 0.000469 0.000057 27O 1f+2 -0.000044 -0.000247 0.000822 0.000103 0.000049 0.000022 27O 1f-2 0.001314 -0.001581 0.000304 -0.000790 0.001113 0.000918 27O 1f+3 -0.001917 0.003371 -0.001520 0.002480 -0.002538 0.003040 27O 1f-3 0.001468 -0.003568 0.002252 -0.001034 -0.000113 -0.000201 28O 1s 0.008979 0.015413 0.018425 0.004002 -0.005712 0.015108 28O 2s 0.019933 0.033772 0.040760 0.008837 -0.010388 0.034761 28O 3s -0.001295 0.011638 0.010072 0.004192 -0.042336 -0.002271 28O 4s -0.450233 -0.680748 -0.802890 -0.171033 0.428358 -0.557709 28O 5s 2.852163 2.027794 2.689051 0.551716 -1.421801 -0.120866 28O 1pz 0.059448 0.023308 0.024677 0.039316 0.020207 -0.050527 28O 1px 0.025728 0.010851 0.001458 0.005088 -0.024502 -0.014015 28O 1py 0.043655 0.019113 0.033780 -0.014179 0.011602 -0.021859 28O 2pz 0.115662 -0.028291 0.003815 0.061472 0.068227 -0.043122 28O 2px 0.186658 0.130797 0.133075 0.031701 -0.093539 -0.055327 28O 2py 0.122298 0.042364 0.081680 0.023312 0.028975 -0.030143 28O 3pz -1.944497 -0.079797 -0.606059 -0.134870 -0.190787 1.149429 28O 3px 0.457886 0.200577 0.042175 -0.007749 0.128154 -0.761282 28O 3py -0.567980 -0.233700 -0.089110 -0.429663 -0.305428 0.446892 28O 1dz2 -0.003913 -0.001865 -0.003119 -0.002862 -0.000095 0.001442 28O 1dxz 0.010360 0.002089 0.007334 -0.000474 -0.001434 -0.004213 28O 1dyz 0.003410 0.000038 0.002160 -0.000102 -0.000461 0.002095 28O 1dx2y2 -0.003574 -0.004387 0.000030 -0.002498 0.000219 0.002909 28O 1dxy -0.001995 0.001449 -0.000668 0.004056 0.000716 -0.002103 28O 2dz2 0.012697 0.004391 0.003704 -0.036422 0.015191 0.004237 28O 2dxz -0.033439 -0.017031 -0.024770 -0.008780 0.003376 0.048289 28O 2dyz 0.019086 -0.018206 0.018648 -0.003044 -0.008437 0.017818 28O 2dx2y2 0.036807 0.030373 0.005290 -0.025339 0.021033 -0.009290 28O 2dxy -0.010065 -0.036013 0.009092 0.004045 -0.009583 0.018405 28O 1f0 0.001615 0.001874 -0.000094 -0.000030 -0.000206 -0.000840 28O 1f+1 0.001965 0.002653 0.002632 -0.000193 -0.000841 -0.000669 28O 1f-1 -0.002370 0.000629 -0.000080 -0.000682 -0.000670 0.000928 28O 1f+2 -0.002289 -0.001991 -0.001135 0.000131 0.000767 0.001818 28O 1f-2 -0.002078 0.000416 -0.000358 0.001880 -0.000931 -0.000183 28O 1f+3 -0.002739 -0.001346 0.000394 0.002083 -0.001294 0.000761 28O 1f-3 -0.000912 0.001516 0.000234 0.000840 -0.001348 -0.001159 29O 1s 0.000586 -0.002799 0.000738 0.000847 -0.003695 -0.007963 29O 2s 0.001908 -0.006720 0.001784 0.002105 -0.007846 -0.016203 29O 3s -0.009930 0.005257 -0.003277 -0.004204 -0.006660 -0.029399 29O 4s 0.031242 0.122352 -0.022932 -0.021558 0.182238 0.496724 29O 5s -0.113628 -0.382232 0.090962 0.080068 -0.371722 -1.146596 29O 1pz 0.007701 -0.002831 -0.008410 0.011440 0.001321 -0.009473 29O 1px 0.014180 -0.011231 0.000278 0.011073 -0.008133 -0.017717 29O 1py 0.016325 0.001828 0.000601 -0.008943 -0.012221 -0.007687 29O 2pz 0.005798 -0.005161 -0.049282 0.018263 0.033594 0.034295 29O 2px 0.009555 -0.004877 -0.002693 0.020453 -0.039121 -0.099368 29O 2py 0.005029 -0.060959 -0.001404 0.005170 -0.015186 0.035816 29O 3pz -0.010117 -0.017994 0.444828 -0.052347 -0.356939 -0.388259 29O 3px -0.058487 -0.047448 0.122376 -0.008894 -0.075022 0.319736 29O 3py 0.112886 0.362224 -0.052264 -0.137693 0.145950 -0.015787 29O 1dz2 -0.000932 0.002429 0.000830 -0.001763 0.001176 0.001275 29O 1dxz 0.001598 0.001236 -0.001014 0.001236 0.000219 -0.001499 29O 1dyz -0.001114 -0.000966 0.003252 0.000007 -0.002473 -0.001918 29O 1dx2y2 0.000440 -0.000166 -0.000111 0.001340 -0.001028 0.000997 29O 1dxy 0.000782 -0.000182 0.001726 -0.001475 -0.001602 -0.002277 29O 2dz2 -0.000378 0.025645 -0.045431 -0.021301 0.036674 0.019671 29O 2dxz 0.007917 0.033894 0.067854 0.012423 -0.061450 -0.052699 29O 2dyz -0.000598 -0.033755 0.022259 0.022387 -0.015674 0.003056 29O 2dx2y2 0.011673 -0.022804 0.026035 0.005604 0.005479 0.025638 29O 2dxy 0.018345 0.081503 -0.011777 -0.021875 0.005525 -0.017365 29O 1f0 0.000256 0.000376 -0.000133 -0.000380 0.000461 0.001817 29O 1f+1 0.000098 0.000189 0.002282 0.000740 -0.001630 -0.001825 29O 1f-1 0.000832 0.001568 0.000426 -0.000323 -0.000618 0.000002 29O 1f+2 -0.000047 -0.000459 -0.001843 -0.000311 0.001175 -0.000549 29O 1f-2 0.000111 0.000494 -0.001692 -0.000852 0.001009 0.000679 29O 1f+3 -0.000019 -0.001136 0.001426 0.000540 -0.000636 -0.000685 29O 1f-3 -0.000045 0.000747 0.000105 0.000373 -0.000024 0.000578 30O 1s -0.002388 -0.017343 0.009109 -0.017339 -0.003829 -0.000619 30O 2s -0.006594 -0.038532 0.020950 -0.038850 -0.006743 -0.000826 30O 3s 0.021749 -0.004172 -0.011733 -0.007537 -0.028444 -0.008911 30O 4s 0.027871 0.721577 -0.290662 0.759931 0.312907 0.103058 30O 5s -0.703598 -2.273783 0.698978 -1.835299 -1.295018 -0.817611 30O 1pz -0.040879 -0.007498 0.013687 0.031869 0.022307 -0.018234 30O 1px -0.018691 -0.011276 0.002586 -0.005955 -0.034997 -0.020804 30O 1py 0.034804 -0.016439 -0.014158 -0.005715 -0.009416 -0.001805 30O 2pz -0.130756 0.036635 -0.009641 0.046657 0.076096 0.005530 30O 2px -0.099688 -0.154108 0.084693 -0.077411 -0.138761 -0.060632 30O 2py 0.117231 -0.067722 0.004184 -0.012328 -0.045407 -0.008570 30O 3pz 1.105305 -0.063644 -0.010751 -0.173256 0.162413 -0.079063 30O 3px 0.274740 0.069396 -0.265930 0.050229 0.058146 -0.222960 30O 3py -0.694341 -0.071703 -0.019701 0.141909 0.191807 -0.383371 30O 1dz2 0.004732 -0.000816 0.000868 -0.002563 0.000060 0.002035 30O 1dxz -0.005460 -0.000692 0.001183 -0.001926 -0.004860 0.001745 30O 1dyz -0.000116 -0.003208 0.000246 -0.000143 -0.002630 -0.003131 30O 1dx2y2 0.001647 -0.001300 0.003037 -0.000490 0.000069 0.001765 30O 1dxy 0.000637 0.005036 -0.001506 0.001677 -0.001412 0.003285 30O 2dz2 0.011735 0.002808 -0.001903 -0.007013 -0.000542 0.020364 30O 2dxz 0.000303 -0.004205 -0.037920 -0.002426 0.015298 0.023910 30O 2dyz 0.027931 0.021178 0.008841 0.009058 -0.009267 -0.013194 30O 2dx2y2 -0.005604 -0.015700 -0.001260 -0.004131 0.001466 0.017778 30O 2dxy -0.011764 -0.014841 0.006968 0.003255 -0.014564 -0.010716 30O 1f0 -0.002225 0.000620 0.000700 0.000798 0.000835 -0.002010 30O 1f+1 -0.000927 -0.000695 0.000266 0.000142 -0.001425 0.000614 30O 1f-1 -0.000712 0.000378 0.000172 0.000480 -0.000581 0.001124 30O 1f+2 0.000706 -0.000157 -0.000388 0.000442 0.002124 0.000794 30O 1f-2 0.000226 0.002308 -0.001576 0.001326 0.002042 -0.000059 30O 1f+3 0.001980 -0.002782 0.002749 -0.001113 -0.001425 -0.001335 30O 1f-3 0.000494 0.001775 -0.001808 0.000142 0.002039 -0.000231 31O 1s 0.003195 -0.017151 0.009032 0.017103 -0.004944 0.000424 31O 2s 0.008375 -0.038035 0.020769 0.038414 -0.009195 0.000470 31O 3s -0.021443 -0.005393 -0.011390 0.006087 -0.029697 0.007856 31O 4s -0.063657 0.718827 -0.287394 -0.741790 0.368908 -0.088431 31O 5s 0.837589 -2.258346 0.671607 1.756609 -1.467873 0.737311 31O 1pz -0.040373 0.006002 -0.013522 0.030845 -0.023871 -0.020589 31O 1px -0.020113 0.011206 -0.001449 -0.004015 0.036541 -0.018694 31O 1py 0.035618 0.017884 0.015026 -0.005033 0.010887 0.000203 31O 2pz -0.127153 -0.042076 0.009213 0.043244 -0.081388 -0.001838 31O 2px -0.109667 0.151347 -0.081464 -0.069533 0.145709 -0.050179 31O 2py 0.117995 0.071358 -0.002693 -0.009623 0.050086 -0.003299 31O 3pz 1.122657 0.105740 0.010478 -0.191214 -0.142640 -0.067229 31O 3px 0.271537 -0.061784 0.272267 0.048396 -0.034416 -0.240700 31O 3py -0.720503 0.056691 0.033870 0.132365 -0.191279 -0.402463 31O 1dz2 -0.004801 -0.000917 0.000618 0.002558 0.000003 -0.001945 31O 1dxz 0.005681 -0.000441 0.001271 0.001606 -0.004874 -0.001880 31O 1dyz 0.000371 -0.003256 0.000240 0.000001 -0.002906 0.002889 31O 1dx2y2 -0.001662 -0.001442 0.003061 0.000476 0.000143 -0.001931 31O 1dxy -0.000858 0.005086 -0.001402 -0.001733 -0.001154 -0.003364 31O 2dz2 -0.012402 0.003063 -0.002036 0.007412 0.000057 -0.019857 31O 2dxz -0.000826 -0.003711 -0.036869 0.003654 0.016552 -0.023609 31O 2dyz -0.028783 0.019533 0.009154 -0.009219 -0.009205 0.014047 31O 2dx2y2 0.005494 -0.015335 -0.000469 0.004459 0.002469 -0.017937 31O 2dxy 0.012871 -0.014168 0.006466 -0.003521 -0.015168 0.010532 31O 1f0 -0.002245 -0.000696 -0.000625 0.000757 -0.000787 -0.002092 31O 1f+1 -0.000990 0.000640 -0.000328 0.000198 0.001394 0.000724 31O 1f-1 -0.000696 -0.000378 -0.000224 0.000528 0.000501 0.001131 31O 1f+2 0.000738 0.000252 0.000346 0.000314 -0.002192 0.000648 31O 1f-2 0.000352 -0.002300 0.001568 0.001237 -0.002130 -0.000270 31O 1f+3 0.001908 0.002913 -0.002749 -0.001049 0.001567 -0.001154 31O 1f-3 0.000585 -0.001714 0.001654 0.000045 -0.002032 -0.000390 32O 1s -0.000578 -0.002921 0.000701 -0.001060 -0.004230 0.007680 32O 2s -0.001887 -0.006997 0.001746 -0.002577 -0.008934 0.015551 32O 3s 0.009973 0.005357 -0.004153 0.004248 -0.008595 0.029580 32O 4s -0.031869 0.126884 -0.017300 0.030510 0.215470 -0.485102 32O 5s 0.114364 -0.391377 0.080889 -0.100274 -0.449807 1.120497 32O 1pz 0.007752 0.003437 0.008464 0.011249 -0.001569 -0.010050 32O 1px 0.014093 0.012300 -0.000738 0.011770 0.008501 -0.016380 32O 1py 0.016666 -0.001209 0.000239 -0.007930 0.012784 -0.007255 32O 2pz 0.006119 0.004242 0.049081 0.015899 -0.036570 0.031523 32O 2px 0.009803 0.007459 0.001568 0.023531 0.045806 -0.098505 32O 2py 0.003704 0.060018 0.003633 0.005421 0.011394 0.038513 32O 3pz -0.016820 0.020145 -0.444527 -0.026115 0.381629 -0.369628 32O 3px -0.060231 0.032281 -0.109706 -0.006102 0.043619 0.331767 32O 3py 0.115048 -0.355106 0.035087 -0.145322 -0.129311 -0.040647 32O 1dz2 0.000854 0.002520 0.000701 0.001821 0.001299 -0.001256 32O 1dxz -0.001637 0.001144 -0.001077 -0.001278 0.000254 0.001515 32O 1dyz 0.001123 -0.000752 0.003271 -0.000103 -0.002536 0.001763 32O 1dx2y2 -0.000458 -0.000158 -0.000175 -0.001407 -0.000810 -0.001107 32O 1dxy -0.000804 -0.000119 0.001634 0.001331 -0.001745 0.002219 32O 2dz2 -0.000603 0.025617 -0.044958 0.022307 0.036302 -0.016336 32O 2dxz -0.008259 0.032948 0.067504 -0.017377 -0.063929 0.050816 32O 2dyz 0.001469 -0.032384 0.021987 -0.021906 -0.013726 -0.005135 32O 2dx2y2 -0.011112 -0.022776 0.026061 -0.005926 0.008203 -0.027703 32O 2dxy -0.020696 0.081096 -0.011324 0.021053 0.003812 0.018916 32O 1f0 0.000214 -0.000333 0.000171 -0.000372 -0.000615 0.001805 32O 1f+1 0.000088 -0.000178 -0.002316 0.000847 0.001759 -0.001817 32O 1f-1 0.000856 -0.001607 -0.000248 -0.000337 0.000505 0.000109 32O 1f+2 -0.000085 0.000576 0.001810 -0.000338 -0.001104 -0.000614 32O 1f-2 0.000124 -0.000472 0.001708 -0.000927 -0.001067 0.000603 32O 1f+3 -0.000037 0.001119 -0.001390 0.000599 0.000657 -0.000628 32O 1f-3 0.000010 -0.000745 -0.000169 0.000420 0.000007 0.000640 33O 1s -0.009796 0.015208 0.018425 -0.004479 -0.004687 -0.015229 33O 2s -0.021740 0.033330 0.040712 -0.009766 -0.008053 -0.034932 33O 3s 0.001077 0.011761 0.010913 -0.006696 -0.042174 0.000379 33O 4s 0.487185 -0.668262 -0.807174 0.202517 0.390305 0.570704 33O 5s -3.004721 1.908861 2.718730 -0.650010 -1.416829 0.080145 33O 1pz 0.060244 -0.020582 -0.024073 0.036946 -0.019810 -0.050953 33O 1px 0.027464 -0.009700 -0.002668 0.007089 0.025220 -0.013524 33O 1py 0.045474 -0.017671 -0.032893 -0.015405 -0.009093 -0.022619 33O 2pz 0.115570 0.031300 -0.004394 0.054844 -0.069733 -0.042649 33O 2px 0.198109 -0.122246 -0.136920 0.038921 0.095775 -0.054340 33O 2py 0.127776 -0.038185 -0.079945 0.020305 -0.027011 -0.031850 33O 3pz -1.993968 -0.005363 0.623099 -0.102390 0.127515 1.130344 33O 3px 0.478962 -0.167011 -0.041154 -0.022596 -0.081742 -0.765861 33O 3py -0.602580 0.211092 0.096522 -0.406277 0.296334 0.467614 33O 1dz2 0.004048 -0.001654 -0.002993 0.002817 -0.000193 -0.001449 33O 1dxz -0.010782 0.001619 0.007395 0.000469 -0.001768 0.004012 33O 1dyz -0.003293 -0.000089 0.002111 0.000151 -0.000349 -0.002174 33O 1dx2y2 0.003860 -0.004130 -0.000035 0.002474 0.000229 -0.002958 33O 1dxy 0.001828 0.001565 -0.000509 -0.004059 0.000804 0.002199 33O 2dz2 -0.013312 0.003949 0.004409 0.036575 0.012790 -0.002966 33O 2dxz 0.034797 -0.014955 -0.023758 0.008458 0.005265 -0.048412 33O 2dyz -0.019617 -0.018660 0.017902 0.002211 -0.007505 -0.018083 33O 2dx2y2 -0.038046 0.028840 0.005895 0.026155 0.018638 0.010921 33O 2dxy 0.010962 -0.035277 0.009911 -0.004988 -0.008421 -0.019541 33O 1f0 0.001718 -0.001779 0.000113 -0.000016 0.000229 -0.000928 33O 1f+1 0.002075 -0.002555 -0.002583 -0.000151 0.000888 -0.000688 33O 1f-1 -0.002339 -0.000704 0.000143 -0.000629 0.000629 0.000931 33O 1f+2 -0.002400 0.001850 0.001076 0.000082 -0.000854 0.001877 33O 1f-2 -0.002040 -0.000522 0.000325 0.001923 0.000808 -0.000148 33O 1f+3 -0.002820 0.001215 -0.000400 0.002142 0.001084 0.000888 33O 1f-3 -0.000870 -0.001563 -0.000228 0.000943 0.001351 -0.001146 34O 1s -0.002079 0.020405 -0.013380 -0.001217 0.004165 -0.004016 34O 2s -0.003793 0.044663 -0.028518 -0.003099 0.010207 -0.007982 34O 3s -0.019059 0.013868 -0.022714 0.016013 -0.010953 -0.016004 34O 4s 0.185743 -0.886592 0.652537 -0.000754 -0.101721 0.315184 34O 5s -0.798268 2.913680 -2.366049 -1.287339 -0.123786 -1.819449 34O 1pz 0.001537 -0.017312 0.014670 0.039112 0.006443 0.001663 34O 1px -0.026928 0.014827 0.022717 0.057059 -0.018009 -0.024869 34O 1py -0.012068 -0.000973 -0.027110 -0.076750 -0.023591 -0.015705 34O 2pz 0.044389 -0.060368 0.058685 0.158583 0.023840 0.023191 34O 2px -0.038464 0.215966 -0.092999 0.000887 -0.042133 -0.112453 34O 2py -0.109537 -0.016140 -0.025336 -0.163414 -0.087018 -0.018590 34O 3pz -0.367085 -0.089423 -0.201351 -0.718286 0.064452 -0.314561 34O 3px 0.091184 0.024131 -0.515692 -1.322207 -0.490141 -0.688212 34O 3py 0.683833 -0.033305 0.101265 1.063501 0.624881 0.036790 34O 1dz2 0.001154 0.000786 -0.004440 -0.004871 -0.001594 -0.006147 34O 1dxz 0.003913 0.001009 0.000626 0.000044 -0.002422 0.001798 34O 1dyz 0.001306 -0.001300 0.002077 0.001695 -0.001624 -0.000105 34O 1dx2y2 0.002792 -0.002892 0.003509 0.006220 0.004050 0.003041 34O 1dxy -0.000739 0.003366 -0.001644 -0.003051 -0.001118 -0.000734 34O 2dz2 -0.003759 0.002750 0.013412 -0.009239 -0.029396 -0.005592 34O 2dxz 0.014170 -0.009147 -0.009158 0.001836 0.001140 -0.002245 34O 2dyz 0.003345 -0.009388 -0.012222 -0.007744 -0.016329 -0.002910 34O 2dx2y2 0.024129 0.042511 -0.031633 -0.062885 -0.026467 -0.030032 34O 2dxy -0.013931 -0.022215 -0.004363 0.006176 0.007524 0.016593 34O 1f0 0.001789 -0.000090 0.000959 0.000181 -0.000956 0.001009 34O 1f+1 0.000365 -0.002354 0.001876 0.002816 -0.000192 -0.000286 34O 1f-1 -0.000255 0.001067 0.000277 -0.001106 -0.000408 0.000039 34O 1f+2 -0.000076 0.000195 -0.000793 0.000110 -0.000045 0.000004 34O 1f-2 0.001289 0.001632 -0.000370 -0.000842 -0.001102 0.000853 34O 1f+3 -0.001812 -0.003565 0.001727 0.002574 0.002199 0.003213 34O 1f-3 0.001416 0.003643 -0.002260 -0.001054 0.000222 -0.000215 35O 1s 0.000986 -0.009875 -0.016315 0.013086 0.002602 -0.005756 35O 2s 0.000307 -0.022485 -0.035549 0.029671 0.007053 -0.012577 35O 3s 0.043190 0.010873 -0.011850 -0.007583 -0.018244 -0.018153 35O 4s -0.230574 0.324099 0.763009 -0.537891 -0.016383 0.365326 35O 5s 0.245594 -1.284268 -2.914470 1.992273 -0.501837 -0.036109 35O 1pz 0.002525 0.020716 0.010023 -0.018921 0.047588 -0.065536 35O 1px 0.047597 0.026346 -0.042198 0.009439 0.014576 -0.046786 35O 1py 0.025648 0.017995 0.003706 -0.019168 0.022212 -0.055011 35O 2pz -0.064040 0.057701 0.071402 -0.062068 0.120543 -0.196709 35O 2px 0.037267 -0.064738 -0.259359 0.114766 0.017362 -0.020484 35O 2py -0.012139 0.007188 -0.030704 -0.048201 0.073192 -0.100719 35O 3pz 0.497434 -0.316853 -0.442956 0.316208 -0.547760 1.249134 35O 3px -0.818146 -0.134759 -0.276648 0.425622 -0.851836 0.828951 35O 3py -0.121685 -0.454002 -0.273072 0.364015 -0.878530 0.890614 35O 1dz2 -0.001758 -0.000404 -0.003667 0.003470 -0.002755 0.003224 35O 1dxz -0.004468 0.004596 0.004062 0.000227 -0.001931 -0.001679 35O 1dyz 0.002675 -0.001934 0.002566 -0.001411 -0.001833 0.001430 35O 1dx2y2 0.001170 0.001183 0.003890 -0.002886 0.004830 -0.003593 35O 1dxy 0.002804 0.004264 0.005195 -0.002168 0.005214 -0.002171 35O 2dz2 0.017249 -0.007653 0.048478 -0.018617 0.020819 -0.023768 35O 2dxz -0.041904 0.008260 0.003989 0.011243 -0.001530 -0.009605 35O 2dyz 0.004275 0.017896 -0.017968 0.000258 0.022711 -0.022179 35O 2dx2y2 -0.027263 -0.020565 -0.024239 0.018628 0.001003 0.016602 35O 2dxy -0.039908 -0.036177 -0.008235 0.023307 -0.006124 0.008054 35O 1f0 -0.000492 0.002617 0.000754 0.000087 -0.000905 -0.000589 35O 1f+1 0.001839 0.001103 0.004117 -0.001185 0.000225 -0.001690 35O 1f-1 0.002704 0.001020 0.002466 -0.000757 0.000680 -0.000166 35O 1f+2 -0.001797 -0.001398 -0.001758 0.001948 0.000908 0.000360 35O 1f-2 0.002190 -0.000677 -0.000354 -0.001106 0.001043 0.000127 35O 1f+3 0.001212 -0.000603 0.000941 -0.002239 -0.000456 -0.000440 35O 1f-3 0.002834 0.001954 0.003185 -0.003782 0.000089 -0.000680 258 259 260 261 262 263 0.91348 0.91449 0.93368 0.94126 0.94247 0.94991 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s -0.000590 -0.000111 0.001310 -0.001652 -0.001457 -0.000216 0Rh 2s 0.001072 0.001292 -0.005060 0.004422 0.005635 0.000597 0Rh 3s -0.002787 0.000149 0.004532 -0.006925 -0.005036 -0.000896 0Rh 4s -0.004375 -0.006340 0.023183 -0.019556 -0.025840 -0.002592 0Rh 5s -0.007397 0.013858 -0.018941 -0.000000 0.021164 -0.000873 0Rh 6s 0.057448 -0.024267 -0.059592 0.111132 0.065285 0.019794 0Rh 7s -0.257729 0.106834 0.861973 -0.499555 -1.090200 -0.088375 0Rh 8s -0.049669 0.415715 -0.361656 -0.102873 0.703038 -0.016620 0Rh 1pz -0.005100 0.000317 -0.002205 0.004308 -0.009100 -0.002561 0Rh 1px 0.009369 -0.005809 0.010995 0.024468 -0.009400 0.002307 0Rh 1py -0.014621 0.013655 -0.008740 0.008035 0.001750 -0.011513 0Rh 2pz 0.017237 -0.001352 0.007517 -0.014633 0.030772 0.008585 0Rh 2px -0.031357 0.019883 -0.037706 -0.082426 0.032523 -0.007668 0Rh 2py 0.049654 -0.046437 0.029750 -0.027169 -0.005857 0.038810 0Rh 3pz -0.005893 0.006308 -0.004173 0.005654 -0.009782 -0.001349 0Rh 3px 0.004693 -0.011860 0.024304 0.022497 -0.026709 -0.000132 0Rh 3py -0.021206 0.021059 -0.013652 0.009190 0.000503 -0.010112 0Rh 4pz -0.066924 -0.019134 -0.020025 0.060260 -0.128605 -0.039757 0Rh 4px 0.142894 -0.056641 0.096113 0.337323 -0.059203 0.040750 0Rh 4py -0.179844 0.164203 -0.105825 0.107315 0.030430 -0.167751 0Rh 5pz 0.086947 0.056584 -0.006915 -0.132292 0.213343 0.046655 0Rh 5px -0.173426 0.051023 -0.036718 -0.377321 -0.026216 -0.060340 0Rh 5py 0.249368 -0.238076 0.151466 -0.154702 -0.052801 0.247284 0Rh 6pz -0.164285 -1.344533 0.629075 2.051054 -1.720814 0.375227 0Rh 6px 0.238168 -0.149035 -1.852259 -0.338710 2.262977 0.381598 0Rh 6py -2.277270 2.116833 -0.678873 1.350828 0.189991 -1.528859 0Rh 1dz2 -0.014365 0.019764 0.032585 -0.008847 0.018710 0.014099 0Rh 1dxz 0.006741 0.003242 0.015370 -0.003221 0.018356 0.007990 0Rh 1dyz -0.023740 -0.007052 -0.013497 0.004487 -0.008407 0.051522 0Rh 1dx2y2 -0.009009 0.023522 0.016739 0.004299 0.020033 0.008096 0Rh 1dxy -0.016779 -0.010202 0.005307 0.013929 0.011952 0.015828 0Rh 2dz2 0.002509 -0.003979 -0.008315 0.001645 -0.004815 -0.002652 0Rh 2dxz -0.002064 -0.000668 -0.003569 -0.000663 -0.002230 -0.001818 0Rh 2dyz 0.002892 0.002380 0.000045 0.000300 -0.000006 -0.010708 0Rh 2dx2y2 0.001260 -0.003976 -0.002635 0.001516 -0.005139 -0.001787 0Rh 2dxy 0.002544 0.001795 -0.000977 -0.001366 -0.003876 -0.003785 0Rh 3dz2 0.018999 -0.024008 -0.032109 0.011323 -0.018552 -0.017875 0Rh 3dxz -0.005289 -0.003970 -0.016602 0.009491 -0.028756 -0.008906 0Rh 3dyz 0.036827 0.004408 0.028132 -0.010787 0.017801 -0.061409 0Rh 3dx2y2 0.013376 -0.031742 -0.023755 -0.015319 -0.019589 -0.009329 0Rh 3dxy 0.023989 0.013438 -0.006712 -0.023241 -0.008330 -0.016825 0Rh 4dz2 0.046434 -0.073876 -0.150955 0.033388 -0.084572 -0.049318 0Rh 4dxz -0.033105 -0.011376 -0.067256 -0.005434 -0.046382 -0.031540 0Rh 4dyz 0.055443 0.041733 0.006304 0.004795 0.001468 -0.194472 0Rh 4dx2y2 0.023309 -0.077259 -0.049543 0.015857 -0.095327 -0.032343 0Rh 4dxy 0.047914 0.034971 -0.021253 -0.030461 -0.067567 -0.065110 0Rh 5dz2 -0.034136 0.192257 0.446851 -0.126385 0.265534 0.059161 0Rh 5dxz 0.061024 0.034512 0.185479 0.020123 0.061790 0.058452 0Rh 5dyz 0.116263 -0.118218 0.167692 -0.155259 0.161188 0.326112 0Rh 5dx2y2 0.023660 0.119669 0.090943 -0.077291 0.275715 0.068493 0Rh 5dxy 0.013448 -0.077320 0.087903 -0.016345 0.232380 0.112672 0Rh 1f0 -0.006729 -0.011885 0.012321 -0.009314 -0.015207 0.000668 0Rh 1f+1 -0.000475 -0.003749 0.004151 0.000231 0.018488 -0.003598 0Rh 1f-1 0.012382 -0.009108 0.000458 -0.011141 0.016623 0.011372 0Rh 1f+2 0.004620 -0.008664 -0.006730 0.020189 -0.003222 0.002531 0Rh 1f-2 0.011338 -0.025243 0.013784 0.002710 0.006171 0.007247 0Rh 1f+3 0.002175 0.011165 -0.022621 0.010372 0.025888 -0.004271 0Rh 1f-3 0.010901 -0.008719 -0.001215 0.001182 0.001915 0.006157 1Rh 1s -0.000613 0.000136 -0.001416 -0.001985 0.000843 -0.000214 1Rh 2s 0.001152 -0.001310 0.005326 0.005758 -0.003894 0.000641 1Rh 3s -0.002870 -0.000010 -0.004987 -0.008047 0.002525 -0.000854 1Rh 4s -0.004735 0.006387 -0.024342 -0.025693 0.018086 -0.002820 1Rh 5s -0.007188 -0.013136 0.018611 0.005318 -0.019924 -0.000158 1Rh 6s 0.058782 0.020887 0.067731 0.125770 -0.026102 0.017943 1Rh 7s -0.268282 -0.088829 -0.904352 -0.800311 0.873487 -0.073392 1Rh 8s -0.064165 -0.421369 0.358781 0.111650 -0.700415 0.007964 1Rh 1pz 0.004404 0.000311 -0.002239 -0.000544 -0.010148 0.002155 1Rh 1px -0.009372 -0.005356 0.009706 -0.020714 -0.017023 -0.002410 1Rh 1py 0.014182 0.013736 -0.009033 -0.007425 -0.000968 0.011861 1Rh 2pz -0.014869 -0.001334 0.007639 0.001892 0.034339 -0.007203 1Rh 2px 0.031365 0.018359 -0.033374 0.069540 0.058161 0.008007 1Rh 2py -0.048159 -0.046716 0.030741 0.025070 0.003324 -0.039999 1Rh 3pz 0.004781 0.006352 -0.004289 -0.001307 -0.011277 0.000694 1Rh 3px -0.004671 -0.011474 0.023330 -0.013959 -0.032855 0.000162 1Rh 3py 0.020487 0.021203 -0.014020 -0.007703 -0.002407 0.010679 1Rh 4pz 0.058797 -0.019349 -0.020498 -0.008420 -0.143054 0.034944 1Rh 4px -0.143110 -0.050344 0.077588 -0.305440 -0.167739 -0.042673 1Rh 4py 0.174778 0.165059 -0.109552 -0.102395 -0.006660 0.171854 1Rh 5pz -0.075848 0.056671 -0.003377 0.048290 0.247607 -0.040086 1Rh 5px 0.174615 0.044174 -0.015125 0.368093 0.100186 0.063467 1Rh 5py -0.242782 -0.238902 0.156333 0.150928 0.001204 -0.252462 1Rh 6pz 0.076028 -1.347708 0.531374 -1.394119 -2.328011 -0.394762 1Rh 6px -0.272547 -0.164965 -1.853958 -0.331759 2.253843 -0.394768 1Rh 6py 2.237516 2.126605 -0.713550 -1.274555 -0.278098 1.547677 1Rh 1dz2 -0.014663 -0.019791 -0.032171 -0.000665 -0.020384 0.014614 1Rh 1dxz 0.006094 -0.003274 -0.015070 0.003718 -0.018475 0.008049 1Rh 1dyz -0.023539 0.007555 0.015141 0.000780 0.009489 0.051109 1Rh 1dx2y2 -0.009270 -0.023093 -0.016363 0.010930 -0.017426 0.008900 1Rh 1dxy -0.017046 0.009937 -0.004109 0.017100 -0.006388 0.016019 1Rh 2dz2 0.002601 0.003986 0.008230 -0.000453 0.005034 -0.002790 1Rh 2dxz -0.001940 0.000684 0.003467 -0.001524 0.001906 -0.001852 1Rh 2dyz 0.002866 -0.002483 -0.000291 0.000254 0.000134 -0.010698 1Rh 2dx2y2 0.001286 0.003849 0.002672 -0.000294 0.005350 -0.001967 1Rh 2dxy 0.002558 -0.001727 0.000796 -0.002551 0.003155 -0.003817 1Rh 3dz2 0.019223 0.024036 0.031612 0.003210 0.021068 -0.018360 1Rh 3dxz -0.004486 0.003970 0.016408 -0.001285 0.030370 -0.008889 1Rh 3dyz 0.036523 -0.005007 -0.030503 -0.002755 -0.020638 -0.060592 1Rh 3dx2y2 0.013812 0.031388 0.022821 -0.021358 0.013299 -0.010240 1Rh 3dxy 0.024480 -0.013178 0.004991 -0.024763 -0.000207 -0.017077 1Rh 4dz2 0.048090 0.073957 0.149595 -0.003893 0.089941 -0.051788 1Rh 4dxz -0.030724 0.011575 0.065681 -0.023554 0.042276 -0.032028 1Rh 4dyz 0.054898 -0.043644 -0.010863 0.004795 0.000607 -0.194093 1Rh 4dx2y2 0.023790 0.075234 0.049564 -0.016926 0.095250 -0.035608 1Rh 4dxy 0.048358 -0.033736 0.017741 -0.051015 0.052757 -0.065892 1Rh 5dz2 -0.040184 -0.191644 -0.449047 -0.008611 -0.290833 0.067439 1Rh 5dxz 0.055391 -0.034148 -0.183446 0.047704 -0.051682 0.060753 1Rh 5dyz 0.116643 0.122096 -0.170604 -0.082212 -0.208341 0.329804 1Rh 5dx2y2 0.024879 -0.116493 -0.092114 0.018402 -0.287613 0.075731 1Rh 5dxy 0.013830 0.073431 -0.085294 0.063445 -0.224004 0.115633 1Rh 1f0 0.006815 -0.011873 0.012873 0.013299 -0.011534 -0.001067 1Rh 1f+1 0.000791 -0.003432 0.003847 -0.006721 0.017232 0.003727 1Rh 1f-1 -0.011204 -0.009131 0.000729 0.004590 0.019409 -0.010901 1Rh 1f+2 -0.005687 -0.008177 -0.007858 -0.017086 -0.009751 -0.002803 1Rh 1f-2 -0.011012 -0.025147 0.013493 -0.005890 0.004663 -0.007629 1Rh 1f+3 -0.002145 0.011589 -0.023398 -0.017111 0.021282 0.005221 1Rh 1f-3 -0.010633 -0.008877 -0.001485 -0.001936 0.001746 -0.006312 2C 1s -0.000943 -0.001970 -0.000126 0.001580 0.001531 0.004510 2C 2s -0.001315 -0.004171 -0.000657 0.002223 0.003672 0.010324 2C 3s -0.061017 -0.023180 0.033296 -0.003126 -0.004790 0.115364 2C 4s 0.424535 0.190362 -0.212961 0.068741 -0.035091 -0.932867 2C 5s 1.184833 0.959758 0.893602 -0.156083 -0.352296 -6.369969 2C 1pz -0.012743 0.009359 0.035423 -0.078517 0.008442 -0.047175 2C 1px -0.056944 -0.070052 0.003584 0.063471 -0.028371 0.004844 2C 1py 0.032125 -0.025238 -0.028833 -0.052999 -0.042499 -0.010326 2C 2pz 0.022067 0.154469 0.065964 -0.344571 0.146994 -0.554210 2C 2px -0.162383 -0.045471 -0.093788 0.206603 -0.378992 0.129798 2C 2py 0.291528 -0.082629 -0.129587 -0.267616 -0.208129 -0.223768 2C 3pz 0.289666 0.347107 0.635073 -0.285595 -0.201474 -1.605779 2C 3px -0.101132 -0.015069 -0.242748 0.393006 0.043956 -0.552192 2C 3py 0.301392 0.066128 -0.323079 -0.274610 -0.008674 -0.939629 2C 1dz2 -0.000642 0.004070 0.004290 0.003092 0.000436 -0.005897 2C 1dxz 0.005681 0.004449 -0.003448 -0.003526 -0.003522 0.000757 2C 1dyz 0.000454 -0.002564 -0.000761 0.004680 0.001627 -0.001666 2C 1dx2y2 -0.000317 0.001091 -0.000475 0.000845 -0.004114 0.005838 2C 1dxy -0.000117 0.002528 -0.001638 -0.000212 -0.000971 0.001297 2C 2dz2 0.068539 -0.094298 0.123170 -0.347373 -0.195884 0.055626 2C 2dxz 0.207247 -0.188506 0.035579 -0.375893 0.347574 -0.211773 2C 2dyz -0.149633 -0.062378 -0.138844 -0.302399 -0.233217 0.116788 2C 2dx2y2 -0.086554 -0.328013 -0.143349 0.465853 -0.292963 0.172295 2C 2dxy -0.300370 0.072823 0.264021 0.028385 0.314758 -0.204002 2C 1f0 0.005331 -0.014097 -0.011840 0.007451 -0.015203 0.006074 2C 1f+1 -0.009007 0.001163 0.005610 0.000185 -0.001222 -0.002383 2C 1f-1 0.003420 0.002705 0.002518 -0.021167 0.007233 -0.019713 2C 1f+2 0.002496 0.000541 0.007288 -0.012339 0.011895 0.004607 2C 1f-2 0.013914 0.000320 -0.000283 -0.000568 0.003962 -0.014421 2C 1f+3 0.004904 -0.009004 -0.000283 -0.021839 -0.005718 0.007270 2C 1f-3 -0.010490 -0.001271 -0.003320 0.006600 -0.014296 0.010005 3C 1s 0.002226 0.004007 0.000486 0.002628 -0.000585 -0.004133 3C 2s 0.004506 0.010918 0.001615 0.006012 -0.002105 -0.009310 3C 3s 0.011819 -0.085528 -0.029486 -0.030252 0.025746 -0.127576 3C 4s -0.135046 0.320021 0.166926 0.187073 -0.141166 0.979094 3C 5s -2.331520 -1.107295 -0.363399 -0.658389 1.000090 5.923549 3C 1pz -0.095438 0.051705 0.039644 -0.072973 0.006782 0.027113 3C 1px 0.077900 -0.028779 -0.001949 -0.051536 0.037293 0.053111 3C 1py 0.046525 0.088829 0.071199 0.052806 -0.024552 -0.013250 3C 2pz -0.421749 0.340563 0.077439 -0.305498 0.075302 0.340448 3C 2px 0.120966 -0.165061 0.250091 -0.310931 0.104787 0.176983 3C 2py 0.151453 0.266717 0.302756 0.188526 -0.001440 -0.428431 3C 3pz -0.622058 0.387658 0.241278 -0.444694 -0.107222 0.711776 3C 3px 0.197013 -0.112556 -0.126489 -0.227641 0.586477 0.901685 3C 3py 0.691467 0.527981 0.204783 0.161549 -0.237640 -1.442841 3C 1dz2 0.000339 0.001953 -0.000964 -0.001079 0.000326 0.001061 3C 1dxz -0.004142 0.001244 -0.000095 0.002973 0.000514 -0.000531 3C 1dyz -0.005605 -0.001720 0.002742 -0.003840 -0.000392 -0.002724 3C 1dx2y2 -0.000947 -0.003465 -0.001535 -0.001390 0.003447 -0.007399 3C 1dxy 0.003948 -0.001441 -0.005573 0.001964 -0.002366 -0.000309 3C 2dz2 -0.098574 0.377874 0.360310 -0.075299 -0.136991 0.038775 3C 2dxz -0.367923 0.052444 -0.390926 0.094785 -0.205828 -0.035741 3C 2dyz -0.123484 0.542263 0.124899 0.402673 -0.071877 0.029838 3C 2dx2y2 0.538606 -0.186809 -0.163404 0.475440 -0.132051 0.048133 3C 2dxy 0.012167 -0.128687 0.220220 0.340138 -0.188539 -0.185170 3C 1f0 0.020397 -0.010405 -0.001284 0.028285 -0.008949 -0.008155 3C 1f+1 0.015753 -0.011983 0.006908 -0.002150 0.002985 -0.000010 3C 1f-1 -0.002531 0.016941 0.011313 0.005851 0.000400 0.004915 3C 1f+2 0.003867 -0.008167 -0.000953 -0.005534 0.000114 -0.017670 3C 1f-2 -0.004360 0.001539 -0.003902 0.002562 0.000445 -0.014227 3C 1f+3 -0.006608 -0.013284 -0.019726 -0.002084 -0.002955 0.004113 3C 1f-3 -0.012839 0.016652 0.000047 0.015891 -0.012264 -0.001736 4C 1s -0.003322 0.004524 0.006543 0.001804 0.002066 -0.007977 4C 2s -0.009619 0.011393 0.017663 0.008374 0.007009 -0.016503 4C 3s 0.146776 0.021956 -0.110218 -0.265220 -0.103750 -0.165213 4C 4s -0.415819 -0.442123 0.159122 1.701079 0.516538 0.790819 4C 5s -1.656867 -2.103936 -0.974108 0.345946 -0.449918 5.350896 4C 1pz 0.022899 0.039846 -0.045401 -0.002488 0.006823 -0.036230 4C 1px 0.029378 0.026774 0.032382 0.010238 -0.102792 0.050098 4C 1py 0.043183 -0.037088 -0.025229 0.008639 -0.017537 -0.007475 4C 2pz -0.065757 -0.004098 -0.182087 -0.444154 0.139862 0.058893 4C 2px -0.039826 -0.464835 0.644853 0.007575 -0.288813 0.024298 4C 2py -0.062745 -0.207249 0.120653 -0.268766 -0.005366 0.053510 4C 3pz 1.046348 0.301735 -0.444233 0.117090 -0.235764 -3.804596 4C 3px 0.003390 -1.022444 1.007637 0.069527 -0.287661 -0.629304 4C 3py 0.528656 0.129788 0.786411 0.327233 -0.482108 -2.644082 4C 1dz2 0.002281 0.004298 -0.006043 -0.005912 0.000488 -0.007482 4C 1dxz 0.002589 -0.003412 -0.001915 -0.002248 -0.001854 -0.011717 4C 1dyz -0.001483 0.000419 0.004488 -0.000738 -0.004275 -0.006829 4C 1dx2y2 -0.004775 -0.002666 0.000054 0.006023 0.001168 0.012830 4C 1dxy -0.007051 -0.001489 0.002544 0.003791 0.003242 -0.001836 4C 2dz2 -0.103501 -0.050666 -0.060904 -0.034592 0.131446 0.120343 4C 2dxz 0.114390 -0.185469 0.281762 -0.044154 -0.006992 -0.030432 4C 2dyz -0.047428 -0.053354 -0.013728 -0.071206 -0.106905 0.553462 4C 2dx2y2 -0.072599 -0.222888 -0.010263 0.098103 -0.062916 0.234304 4C 2dxy -0.225072 -0.127307 0.105475 0.005710 0.071793 0.132161 4C 1f0 0.000192 0.005296 0.007160 -0.007334 0.005330 -0.017546 4C 1f+1 0.012676 0.007066 -0.004394 -0.009518 -0.009594 -0.015550 4C 1f-1 0.006467 0.005819 -0.008440 -0.014752 0.001313 -0.007663 4C 1f+2 -0.010714 0.002081 -0.010220 0.016340 -0.001787 0.023371 4C 1f-2 -0.000283 -0.004009 0.003294 -0.003361 -0.005885 0.002201 4C 1f+3 -0.001630 0.005961 -0.015318 0.001428 -0.003007 0.003569 4C 1f-3 0.010743 0.014867 -0.015361 -0.009743 -0.001756 -0.016169 5C 1s 0.001276 0.005950 0.001421 -0.001558 0.002946 0.005108 5C 2s 0.005615 0.017493 0.004580 0.000406 0.007409 0.008678 5C 3s -0.216023 -0.070219 -0.020538 -0.236151 -0.060782 0.210087 5C 4s 1.050258 -0.060133 -0.022421 1.592429 0.191831 -0.890889 5C 5s 2.134979 -2.281465 -1.186093 -0.057157 -0.041056 -4.955789 5C 1pz -0.017148 0.007268 -0.013774 0.022674 0.019834 0.016401 5C 1px -0.024107 -0.014836 0.078471 -0.011226 -0.066205 -0.005052 5C 1py -0.002102 0.023095 -0.004715 -0.027062 0.034910 -0.034201 5C 2pz -0.172737 -0.094203 -0.236914 -0.275662 0.360802 -0.070494 5C 2px 0.288025 -0.148860 -0.040915 -0.040357 -0.568539 0.085995 5C 2py 0.188615 0.202852 0.343476 0.429181 -0.342142 0.054512 5C 3pz -0.932588 -1.153825 -0.278364 0.255665 0.710107 2.077168 5C 3px 0.117240 -0.147283 -0.301265 0.247620 -0.791972 1.499440 5C 3py 1.480849 0.579276 0.095271 -0.032101 -0.575712 -3.560751 5C 1dz2 -0.006852 -0.002114 0.000661 -0.000622 0.000353 0.000621 5C 1dxz -0.000913 -0.001761 -0.004743 -0.001171 -0.001648 0.011330 5C 1dyz -0.000650 0.008997 0.003807 0.005116 -0.005478 -0.002895 5C 1dx2y2 0.009161 -0.003068 -0.002290 0.008269 0.001750 -0.013620 5C 1dxy -0.000226 0.001408 -0.001904 0.003792 0.000720 -0.010391 5C 2dz2 -0.203250 0.219000 0.257825 -0.137983 -0.012544 0.256466 5C 2dxz -0.018345 0.184202 -0.055884 0.106040 -0.142896 0.107520 5C 2dyz -0.033513 0.109094 -0.034552 0.058567 -0.053687 0.485023 5C 2dx2y2 0.199181 -0.163607 -0.033448 0.015060 -0.143353 0.069014 5C 2dxy -0.020128 -0.019429 -0.041519 0.049991 0.175529 0.198961 5C 1f0 0.003116 0.003810 0.001798 0.003396 -0.012990 0.006239 5C 1f+1 -0.016959 0.009823 0.004197 -0.007252 0.007612 0.011036 5C 1f-1 0.006678 -0.007514 -0.002132 0.003866 -0.004096 -0.002281 5C 1f+2 0.004609 -0.004467 0.006610 0.005050 0.008852 -0.007291 5C 1f-2 0.007835 -0.008323 0.000490 0.009037 0.015218 -0.018459 5C 1f+3 -0.015994 0.006430 0.008891 -0.020693 0.007456 0.017263 5C 1f-3 0.016134 -0.010913 0.001059 0.005835 0.005898 -0.022484 6C 1s 0.001381 -0.006047 -0.001453 -0.000576 -0.003454 0.005013 6C 2s 0.005888 -0.017827 -0.004586 0.002596 -0.007270 0.008475 6C 3s -0.218406 0.076528 0.017436 -0.239278 -0.018398 0.209699 6C 4s 1.055427 0.031352 0.064766 1.558384 0.339351 -0.878088 6C 5s 2.124440 2.254086 1.075485 -0.098754 0.016087 -4.962523 6C 1pz 0.019418 0.008390 -0.015576 -0.027501 0.011903 -0.017301 6C 1px 0.025243 -0.016008 0.079399 0.029704 -0.059546 0.003843 6C 1py 0.002611 0.022605 -0.001786 0.015335 0.042759 0.035654 6C 2pz 0.171827 -0.097746 -0.228015 0.150115 0.428777 0.074829 6C 2px -0.288037 -0.157735 -0.033132 0.225011 -0.519125 -0.064471 6C 2py -0.185724 0.210600 0.327835 -0.302735 -0.461692 -0.067115 6C 3pz 0.927518 -1.166325 -0.338712 -0.492699 0.575628 -2.074118 6C 3px -0.121618 -0.162035 -0.327030 0.055216 -0.822679 -1.453692 6C 3py -1.462397 0.609879 0.175883 0.229168 -0.519119 3.584376 6C 1dz2 -0.007088 0.002076 -0.000569 -0.000266 -0.000558 0.000567 6C 1dxz -0.000961 0.001806 0.004900 -0.001793 0.001142 0.011132 6C 1dyz -0.000726 -0.009098 -0.003566 0.003051 0.006957 -0.002627 6C 1dx2y2 0.009175 0.002890 0.002235 0.008252 0.001058 -0.013844 6C 1dxy -0.000241 -0.001455 0.001843 0.003636 0.000609 -0.010289 6C 2dz2 -0.198537 -0.217481 -0.254726 -0.120452 -0.032463 0.263990 6C 2dxz -0.014378 -0.182258 0.060381 0.046346 0.169726 0.104237 6C 2dyz -0.038681 -0.110694 0.047709 0.035379 0.065013 0.481096 6C 2dx2y2 0.204082 0.163240 0.033887 -0.030413 0.137541 0.068736 6C 2dxy -0.019585 0.016721 0.050110 0.103783 -0.148199 0.204777 6C 1f0 -0.003132 0.003749 0.001716 0.000961 -0.013221 -0.006037 6C 1f+1 0.016970 0.009685 0.004080 0.004212 0.009472 -0.011358 6C 1f-1 -0.006770 -0.007566 -0.002186 -0.002247 -0.005201 0.002433 6C 1f+2 -0.004735 -0.004479 0.006568 -0.007822 0.006635 0.006975 6C 1f-2 -0.008014 -0.007924 0.000471 -0.013460 0.011234 0.018092 6C 1f+3 0.016145 0.006041 0.009140 0.016599 0.013723 -0.017556 6C 1f-3 -0.016418 -0.010831 0.001411 -0.007335 0.003692 0.022447 7C 1s -0.003566 -0.004620 -0.006479 0.002778 -0.001278 -0.007778 7C 2s -0.010308 -0.011652 -0.017183 0.011173 -0.003673 -0.015917 7C 3s 0.148902 -0.021063 0.088134 -0.286710 0.010000 -0.170616 7C 4s -0.410403 0.435309 -0.037228 1.762526 0.074321 0.802622 7C 5s -1.569698 2.133442 1.110146 0.130969 0.527914 5.293947 7C 1pz -0.023792 0.040602 -0.044644 0.003693 0.008658 0.036908 7C 1px -0.028931 0.026723 0.032415 0.022491 -0.100137 -0.050850 7C 1py -0.044347 -0.036453 -0.025085 -0.000692 -0.018979 0.008100 7C 2pz 0.067223 -0.012246 -0.159992 0.365469 0.280717 -0.048077 7C 2px 0.041649 -0.466843 0.650213 0.042139 -0.288942 -0.020578 7C 2py 0.064038 -0.213510 0.135612 0.235893 0.080833 -0.044538 7C 3pz -1.057086 0.302668 -0.358512 -0.033795 -0.267816 3.810403 7C 3px -0.001451 -1.029979 1.028492 -0.052878 -0.320072 0.619404 7C 3py -0.544883 0.132734 0.845065 -0.200531 -0.571714 2.643801 7C 1dz2 0.002159 -0.004312 0.005644 -0.005482 -0.002376 -0.007504 7C 1dxz 0.002509 0.003410 0.001478 -0.002690 0.000993 -0.011852 7C 1dyz -0.001250 -0.000333 -0.004647 -0.001735 0.003923 -0.006896 7C 1dx2y2 -0.004810 0.002820 0.000613 0.006142 0.000902 0.012863 7C 1dxy -0.006957 0.001430 -0.002328 0.004821 -0.001577 -0.001841 7C 2dz2 -0.099889 0.048991 0.058711 0.002036 -0.138891 0.117737 7C 2dxz 0.111871 0.185975 -0.289292 -0.025964 -0.005724 -0.031617 7C 2dyz -0.047580 0.063191 0.019164 -0.101883 0.076354 0.555694 7C 2dx2y2 -0.060466 0.226088 0.020444 0.072915 0.088492 0.226053 7C 2dxy -0.220209 0.126402 -0.101099 0.035463 -0.057933 0.133077 7C 1f0 0.000073 0.005448 0.008000 0.004707 0.007365 0.017421 7C 1f+1 -0.012369 0.007205 -0.003206 0.012225 -0.005815 0.015619 7C 1f-1 -0.006154 0.005862 -0.007487 0.013738 0.006435 0.007928 7C 1f+2 0.010224 0.002020 -0.011686 -0.014086 -0.006745 -0.023465 7C 1f-2 0.000266 -0.004006 0.003598 0.004716 -0.004592 -0.001960 7C 1f+3 0.001597 0.005959 -0.015455 0.000538 -0.003099 -0.003617 7C 1f-3 -0.010551 0.014991 -0.014349 0.010740 0.001754 0.016349 8C 1s 0.002158 -0.004085 -0.000479 0.002222 0.001408 -0.004073 8C 2s 0.004312 -0.011119 -0.001572 0.004818 0.003957 -0.009144 8C 3s 0.014102 0.087189 0.024698 -0.020671 -0.033382 -0.129599 8C 4s -0.145172 -0.328263 -0.132603 0.137124 0.189229 0.988489 8C 5s -2.292574 1.173973 0.456249 -0.277143 -1.143316 5.911237 8C 1pz 0.094158 0.050210 0.041764 0.064494 0.030378 -0.028163 8C 1px -0.079093 -0.031392 -0.000619 0.036265 0.053031 -0.051400 8C 1py -0.046521 0.090221 0.069144 -0.043972 -0.039656 0.010535 8C 2pz 0.422270 0.335319 0.079823 0.258091 0.175839 -0.339397 8C 2px -0.124257 -0.176225 0.257646 0.243048 0.200094 -0.179295 8C 2py -0.152412 0.269116 0.305908 -0.186811 -0.061881 0.419406 8C 3pz 0.608163 0.374504 0.245805 0.450880 0.042630 -0.723981 8C 3px -0.206580 -0.125764 -0.137153 0.018332 0.632236 -0.907421 8C 3py -0.687162 0.544190 0.227421 -0.073914 -0.271906 1.421063 8C 1dz2 0.000170 -0.001961 0.000914 -0.001102 -0.000709 0.001057 8C 1dxz -0.004179 -0.001254 0.000264 0.002930 0.000550 -0.000483 8C 1dyz -0.005518 0.001837 -0.002892 -0.003528 -0.000795 -0.002660 8C 1dx2y2 -0.001040 0.003466 0.001324 -0.000270 -0.003678 -0.007373 8C 1dxy 0.003979 0.001441 0.005571 0.000771 0.002856 -0.000511 8C 2dz2 -0.097510 -0.378186 -0.358721 -0.103608 0.109716 0.052274 8C 2dxz -0.361090 -0.048917 0.399429 0.005421 0.229143 -0.044418 8C 2dyz -0.133431 -0.551683 -0.103611 0.358506 0.196441 0.036303 8C 2dx2y2 0.545401 0.176290 0.177797 0.394322 0.276604 0.052788 8C 2dxy 0.014711 0.126134 -0.208882 0.268323 0.295418 -0.175630 8C 1f0 -0.020644 -0.009862 -0.001920 -0.023576 -0.017802 0.007777 8C 1f+1 -0.015692 -0.012094 0.007073 0.001034 0.003786 -0.000048 8C 1f-1 0.003012 0.017146 0.010870 -0.005893 -0.001244 -0.005212 8C 1f+2 -0.003984 -0.008122 -0.000127 0.005225 0.001793 0.017785 8C 1f-2 0.004225 0.001245 -0.003946 -0.002091 -0.000422 0.014527 8C 1f+3 0.006366 -0.013571 -0.019623 0.003845 -0.002048 -0.003479 8C 1f-3 0.013028 0.016921 -0.000900 -0.010736 -0.016831 0.001571 9C 1s -0.001041 0.001923 0.000350 0.001907 -0.000949 0.004580 9C 2s -0.001592 0.004042 0.001109 0.003074 -0.002847 0.010500 9C 3s -0.058977 0.025797 -0.032452 -0.001475 0.005228 0.114763 9C 4s 0.418911 -0.203999 0.202349 0.036260 0.046887 -0.932929 9C 5s 1.178672 -0.958502 -1.060969 -0.158212 0.320554 -6.364813 9C 1pz 0.011203 0.009134 0.042145 0.067952 0.034474 0.048326 9C 1px 0.055020 -0.069448 0.002312 -0.053559 -0.049403 -0.002371 9C 1py -0.031146 -0.027339 -0.025615 0.062370 -0.025190 0.010562 9C 2pz -0.023208 0.157152 0.098848 0.265341 0.259053 0.561780 9C 2px 0.155079 -0.043722 -0.099850 -0.072012 -0.426031 -0.119539 9C 2py -0.282971 -0.088572 -0.112809 0.316231 -0.117534 0.224388 9C 3pz -0.287264 0.343777 0.695811 0.292933 -0.098011 1.590856 9C 3px 0.089473 -0.009345 -0.245796 -0.378657 -0.095040 0.563487 9C 3py -0.295803 0.062647 -0.289319 0.254877 0.064961 0.956030 9C 1dz2 -0.000809 -0.004141 -0.004182 0.003237 0.000753 -0.005634 9C 1dxz 0.005585 -0.004429 0.003263 -0.004784 0.001972 0.000846 9C 1dyz 0.000453 0.002478 0.001020 0.004908 0.000021 -0.001765 9C 1dx2y2 -0.000315 -0.000992 0.000653 -0.000530 0.004208 0.005834 9C 1dxy -0.000075 -0.002554 0.001720 -0.000702 0.000805 0.001316 9C 2dz2 0.068143 0.099953 -0.145966 -0.376463 0.070825 0.054070 9C 2dxz 0.200815 0.189080 -0.057400 -0.233601 -0.450321 -0.209950 9C 2dyz -0.139973 0.073204 0.121234 -0.354267 0.126002 0.103211 9C 2dx2y2 -0.066755 0.331154 0.176278 0.332944 0.440935 0.169604 9C 2dxy -0.294473 -0.069067 -0.263081 0.148977 -0.280388 -0.203628 9C 1f0 -0.005640 -0.014315 -0.012381 -0.001625 -0.017132 -0.005988 9C 1f+1 0.008658 0.000972 0.005504 -0.000495 -0.001841 0.002421 9C 1f-1 -0.003021 0.002644 0.004139 0.017054 0.013737 0.019781 9C 1f+2 -0.001819 0.000366 0.007888 0.007594 0.015250 -0.005289 9C 1f-2 -0.013480 0.000609 0.000011 -0.000231 0.004297 0.014077 9C 1f+3 -0.005065 -0.009517 0.000874 0.021699 0.001908 -0.006707 9C 1f-3 0.010059 -0.001780 -0.003618 -0.001005 -0.015833 -0.009875 10H 1s -0.010419 -0.016131 -0.001057 0.027236 -0.013087 0.010423 10H 2s 0.270085 0.153739 0.283927 -0.871391 0.705267 -0.252537 10H 3s -0.033214 0.021939 -0.033622 0.013000 -0.255159 0.530727 10H 1pz 0.002852 -0.006126 0.008823 -0.031169 0.049811 -0.012832 10H 1px -0.011764 -0.009990 -0.024161 0.049939 -0.044931 0.020974 10H 1py 0.003600 -0.007979 0.007360 -0.009063 0.020263 -0.004933 11H 1s 0.017782 -0.000605 -0.013102 -0.008566 -0.000022 -0.003640 11H 2s -0.616640 0.091184 0.163213 0.130282 -0.111759 0.230699 11H 3s 0.150609 -0.029579 0.051205 0.106007 0.001974 0.046666 11H 1pz -0.031610 0.019660 -0.002028 0.004290 -0.007895 0.028422 11H 1px -0.026692 0.016907 0.013381 -0.000937 -0.016707 0.014016 11H 1py 0.025658 -0.000356 -0.009132 -0.008924 -0.000887 0.007639 12H 1s 0.000829 0.005293 0.000539 0.001241 0.006865 -0.006810 12H 2s 0.194865 -0.535590 -0.398623 -0.114236 -0.662650 0.538878 12H 3s -0.060680 0.028407 -0.196734 0.069536 0.269546 0.097149 12H 1pz -0.006117 0.012855 0.012045 0.004025 0.005958 0.003964 12H 1px 0.009972 -0.005861 -0.012537 -0.014585 -0.024940 0.018283 12H 1py 0.009971 -0.030604 -0.015028 -0.007981 -0.044205 0.041482 13H 1s 0.028611 -0.009492 -0.000008 0.005248 0.000465 0.002519 13H 2s -0.850337 0.484494 -0.379740 -0.061403 -0.152603 -0.191297 13H 3s 0.062468 0.052127 0.325795 0.027067 -0.238630 -0.461056 13H 1pz -0.036028 0.020402 -0.033385 -0.000234 0.001389 -0.010347 13H 1px 0.038936 -0.020196 0.016899 0.008459 0.010026 0.001229 13H 1py -0.000246 -0.017306 0.032158 -0.004493 -0.003553 -0.000712 14H 1s -0.010881 -0.005586 -0.005445 0.018270 -0.003067 -0.010757 14H 2s 0.024137 0.199343 0.541514 -0.748935 0.347225 -0.039168 14H 3s 0.283999 0.240353 -0.093336 0.183652 -0.086122 -0.117843 14H 1pz 0.004710 -0.000997 0.014265 -0.026999 0.018456 -0.009110 14H 1px -0.013314 0.005261 0.040185 -0.051128 0.017094 -0.013239 14H 1py 0.008838 0.007028 -0.003678 -0.013275 0.011734 0.014649 15H 1s -0.017063 0.022299 0.016707 -0.000163 -0.005785 0.009311 15H 2s 0.485017 -0.951953 -0.498128 0.065839 -0.051263 -0.276646 15H 3s 0.038065 0.243187 0.129714 0.212991 0.018443 -0.014079 15H 1pz -0.023871 0.056831 0.026759 -0.003367 -0.000309 0.000542 15H 1px -0.001898 -0.012059 0.002158 -0.001583 -0.010514 -0.015046 15H 1py -0.028501 0.050100 0.016754 0.006718 0.008968 0.027047 16H 1s 0.016998 -0.000215 -0.006825 -0.017041 -0.006302 -0.008869 16H 2s -0.011241 0.099168 -0.308238 -0.353675 0.298932 -0.086824 16H 3s -0.034825 -0.036889 0.095173 -0.041502 -0.290443 -0.044077 16H 1pz -0.015920 0.013158 -0.006254 0.018880 0.012168 -0.006253 16H 1px 0.000165 0.011296 -0.028047 0.031206 -0.028409 -0.017107 16H 1py -0.008858 0.002307 -0.026877 -0.045509 0.015106 0.004845 17H 1s -0.021331 -0.005161 0.002926 -0.013617 0.003900 0.004947 17H 2s -0.020506 -0.060304 -0.241414 -0.185517 0.213858 0.068770 17H 3s 0.020873 -0.038275 0.146270 -0.027706 -0.183861 0.026759 17H 1pz 0.022740 -0.024904 0.009415 -0.023808 -0.011418 0.011339 17H 1px -0.047856 0.020591 -0.006016 -0.037177 0.033770 -0.013834 17H 1py -0.008643 0.000994 -0.022578 -0.061386 0.038189 -0.005851 18H 1s -0.020836 0.005108 -0.002842 -0.012080 -0.007994 0.004501 18H 2s -0.012204 0.062104 0.237279 -0.120371 -0.263211 0.067549 18H 3s 0.020534 0.040937 -0.149770 -0.078030 0.162876 0.023170 18H 1pz -0.022424 -0.025655 0.010897 0.023836 -0.003876 -0.012683 18H 1px 0.047580 0.020268 -0.004106 0.025495 0.044113 0.014930 18H 1py 0.008113 -0.001064 -0.018738 0.047500 0.057070 0.004811 19H 1s 0.016730 -0.000300 0.005462 -0.018727 -0.000520 -0.009400 19H 2s -0.007967 -0.096583 0.289516 -0.256563 -0.401142 -0.091253 19H 3s -0.027962 0.035979 -0.095760 -0.133662 0.260442 -0.048322 19H 1pz 0.014909 0.013271 -0.006840 -0.021650 0.003950 0.006549 19H 1px -0.001410 0.012960 -0.028728 -0.017392 -0.036231 0.018207 19H 1py 0.009761 0.001711 -0.024941 0.037943 0.028683 -0.004820 20H 1s -0.017240 -0.022223 -0.016358 -0.001494 0.005264 0.009974 20H 2s 0.491937 0.954680 0.488644 0.025533 0.077975 -0.291588 20H 3s 0.031406 -0.249384 -0.117291 0.211630 0.047441 -0.017448 20H 1pz 0.024387 0.057099 0.026621 0.002370 0.001153 -0.001531 20H 1px 0.001460 -0.012810 0.002523 0.004945 -0.009784 0.015257 20H 1py 0.029433 0.050102 0.015380 -0.009767 0.006931 -0.027248 21H 1s -0.011111 0.005153 0.006065 0.016060 0.009185 -0.010515 21H 2s 0.024975 -0.181545 -0.571133 -0.565925 -0.576809 -0.035121 21H 3s 0.283318 -0.248924 0.096139 0.134166 0.138755 -0.112034 21H 1pz -0.004458 -0.001631 0.015623 0.018660 0.026702 0.009534 21H 1px 0.013305 0.004039 0.042178 0.040454 0.032577 0.012686 21H 1py -0.009239 0.006650 -0.003086 0.009019 0.015809 -0.014473 22H 1s 0.028506 0.009473 -0.000070 0.005044 0.000950 0.002398 22H 2s -0.853721 -0.487404 0.378757 -0.127696 0.124965 -0.200972 22H 3s 0.060958 -0.056177 -0.333376 -0.043168 0.235824 -0.455564 22H 1pz 0.035964 0.020481 -0.033339 0.001190 0.001487 0.011273 22H 1px -0.039100 -0.020179 0.016825 -0.012136 0.006759 -0.001921 22H 1py -0.000012 -0.017556 0.032592 0.003593 -0.002173 -0.000207 23H 1s 0.001224 -0.005581 -0.000776 0.002645 -0.006682 -0.006924 23H 2s 0.196569 0.550220 0.398885 -0.327055 0.602727 0.529377 23H 3s -0.058765 -0.035928 0.207841 0.137954 -0.231899 0.092720 23H 1pz 0.006452 0.013076 0.011902 -0.005714 0.005346 -0.004225 23H 1px -0.009846 -0.006349 -0.011622 0.021987 -0.018354 -0.017760 23H 1py -0.009967 -0.031829 -0.015273 0.021840 -0.040037 -0.041059 24H 1s 0.017475 0.000475 0.012731 -0.009128 -0.002856 -0.002934 24H 2s -0.595544 -0.092913 -0.165206 0.098965 0.144694 0.215170 24H 3s 0.146337 0.030153 -0.041213 0.094408 0.027425 0.056030 24H 1pz 0.030976 0.019282 -0.002496 -0.001756 -0.008768 -0.027344 24H 1px 0.026080 0.017114 0.013783 0.005486 -0.015262 -0.013570 24H 1py -0.024302 0.000036 -0.009155 0.009602 0.001771 -0.008302 25H 1s -0.009861 0.015947 0.002412 0.021481 0.021948 0.010082 25H 2s 0.250470 -0.150792 -0.329839 -0.576343 -0.961279 -0.240002 25H 3s -0.033433 -0.020510 0.044329 -0.080811 0.238779 0.534584 25H 1pz -0.002236 -0.005877 0.010514 0.012259 0.057713 0.012840 25H 1px 0.010383 -0.009584 -0.027060 -0.030760 -0.059034 -0.020248 25H 1py -0.003275 -0.008417 0.007400 0.001047 0.021552 0.004683 26O 1s -0.005697 0.012247 -0.009641 0.008897 -0.016859 0.006567 26O 2s -0.012607 0.027075 -0.021533 0.018744 -0.038815 0.013617 26O 3s -0.011077 0.004574 -0.000363 0.029995 0.010356 0.029354 26O 4s 0.286701 -0.592620 0.486026 -0.505354 0.646430 -0.328125 26O 5s -0.215292 2.576163 -2.009162 0.822242 -0.813618 -0.156238 26O 1pz 0.061420 0.031765 -0.012754 -0.009410 0.019644 -0.018369 26O 1px 0.029848 -0.005761 0.018330 -0.047909 -0.023748 0.048072 26O 1py 0.041155 -0.010732 -0.009602 -0.020192 -0.014163 -0.001925 26O 2pz 0.151690 0.078716 -0.029175 -0.047082 0.027452 -0.124850 26O 2px 0.002832 -0.128997 0.094084 -0.100547 -0.034428 0.205588 26O 2py 0.068210 0.004666 0.056358 -0.058190 0.004843 -0.028209 26O 3pz -0.934367 -0.146136 -0.110426 0.746630 -0.295613 0.451903 26O 3px -0.542889 -0.666554 0.660041 0.993024 -0.243410 -0.259337 26O 3py -0.367630 -0.849829 0.018401 0.802670 -0.444131 0.563437 26O 1dz2 0.002095 0.000446 -0.001859 -0.002661 -0.000002 0.002879 26O 1dxz -0.002660 -0.000109 -0.000194 0.003087 -0.000379 0.000924 26O 1dyz -0.001101 0.001212 0.002515 -0.001040 0.002234 0.005099 26O 1dx2y2 -0.001712 -0.005241 0.002615 0.001052 0.000217 -0.000660 26O 1dxy -0.000123 -0.007417 0.004235 0.002928 -0.000718 0.004802 26O 2dz2 -0.049184 -0.041992 0.013030 0.025608 -0.005813 -0.006923 26O 2dxz 0.012232 0.003360 -0.036842 0.002764 -0.003260 -0.021011 26O 2dyz -0.024051 0.019305 0.012956 0.003756 -0.008100 -0.007197 26O 2dx2y2 0.002661 0.008562 -0.023893 -0.013735 0.006236 -0.008156 26O 2dxy 0.007453 0.018737 -0.038047 -0.004622 -0.000352 -0.019852 26O 1f0 0.000230 -0.000921 -0.000770 0.000409 -0.001411 0.000645 26O 1f+1 0.003319 0.003219 -0.003801 -0.000940 -0.001274 -0.004862 26O 1f-1 0.000453 0.002586 -0.003306 0.000779 -0.003399 -0.002835 26O 1f+2 -0.001570 -0.000386 0.000779 -0.001391 0.002060 0.001381 26O 1f-2 0.000073 0.000196 -0.000803 0.000730 -0.000407 -0.003900 26O 1f+3 0.001771 0.000160 -0.001515 -0.000812 0.000143 -0.002330 26O 1f-3 0.002591 0.002169 -0.002717 -0.001335 -0.000255 -0.003035 27O 1s 0.003958 -0.014423 0.018961 -0.004314 -0.003473 -0.003008 27O 2s 0.007887 -0.032789 0.042074 -0.010347 -0.008304 -0.006188 27O 3s 0.029274 -0.004895 0.011835 0.015285 0.006239 -0.018094 27O 4s -0.282529 0.627131 -0.842814 0.143265 0.049705 0.133577 27O 5s -0.270795 -0.483165 2.124442 -0.671236 0.703745 0.436995 27O 1pz -0.042509 0.020646 0.013693 0.027072 0.030635 0.000906 27O 1px -0.052808 0.021769 0.010572 -0.004293 -0.002866 -0.033320 27O 1py 0.055116 -0.042173 -0.002113 -0.021399 0.016554 -0.020711 27O 2pz -0.137634 0.021476 0.018720 0.086189 0.012756 0.045165 27O 2px -0.019851 0.000735 -0.060657 0.044808 -0.041761 -0.198676 27O 2py 0.152214 -0.118472 -0.045994 -0.056884 0.050704 -0.081387 27O 3pz 0.726358 -0.203693 0.234409 -0.547690 0.151279 -0.137403 27O 3px 1.275694 -0.971073 -0.124621 0.259826 -0.610361 0.426595 27O 3py -1.209782 0.932433 0.138291 -0.108675 0.023854 0.220811 27O 1dz2 -0.005352 0.001885 0.001545 0.000871 0.000325 0.001391 27O 1dxz 0.000389 -0.000223 0.002284 0.000265 -0.001454 -0.003339 27O 1dyz 0.001662 -0.001226 0.001482 -0.000624 0.003190 0.005209 27O 1dx2y2 0.003943 -0.003605 -0.002827 0.001598 -0.003419 0.001904 27O 1dxy -0.005960 0.001119 0.001534 -0.004580 0.003532 0.002794 27O 2dz2 0.015713 -0.020031 -0.000012 -0.002814 -0.020888 -0.011574 27O 2dxz -0.002313 -0.010335 0.007397 0.006980 -0.001891 0.009569 27O 2dyz -0.032089 0.026704 -0.000891 0.003997 0.046637 0.000724 27O 2dx2y2 -0.048565 0.026049 0.003096 -0.029823 0.001433 0.004329 27O 2dxy 0.005645 0.002355 -0.002197 0.008148 -0.007096 -0.020236 27O 1f0 0.001394 0.000574 -0.001859 0.000102 -0.000356 -0.000807 27O 1f+1 -0.002009 -0.000035 -0.000100 -0.000960 0.000467 0.003095 27O 1f-1 -0.000041 0.000381 -0.000438 0.000926 0.000631 -0.000049 27O 1f+2 -0.000304 0.000347 -0.002631 -0.000208 -0.000450 -0.000210 27O 1f-2 0.001812 0.000424 -0.002227 -0.000197 -0.000022 -0.003922 27O 1f+3 -0.003873 0.000999 0.002952 -0.001268 -0.001088 0.006357 27O 1f-3 0.002619 -0.000738 -0.002372 0.001590 -0.000989 -0.000844 28O 1s -0.000302 -0.000300 0.003990 -0.004361 0.001028 0.004090 28O 2s -0.000966 -0.000861 0.007758 -0.009743 0.001461 0.008624 28O 3s -0.000868 0.003591 0.019482 0.003973 0.015367 0.019504 28O 4s -0.011153 -0.002327 -0.332106 0.192459 -0.036800 -0.222560 28O 5s 0.624312 -0.195080 1.926005 -1.017552 -0.572314 0.031586 28O 1pz -0.008736 -0.041120 -0.013846 0.032771 0.042396 -0.062491 28O 1px 0.027433 0.012235 0.005231 0.006891 -0.035885 0.002618 28O 1py 0.008015 -0.017885 0.024541 0.028796 0.036464 -0.037382 28O 2pz -0.045367 -0.075811 -0.071291 0.101108 0.099384 -0.091894 28O 2px 0.135595 -0.007336 0.064871 -0.065376 -0.067977 -0.104336 28O 2py 0.027403 -0.048658 0.006072 0.056445 0.047007 -0.085611 28O 3pz 0.186669 0.529242 -0.394460 -0.239645 -0.218453 0.963887 28O 3px -0.137331 -0.041690 0.714461 0.125446 -0.253092 0.038834 28O 3py -0.302451 0.055934 -0.058217 -0.164068 -0.007435 0.277843 28O 1dz2 -0.000538 -0.000928 -0.000057 0.003924 -0.002503 0.003981 28O 1dxz -0.001698 -0.003769 0.006599 -0.000382 -0.000217 -0.004489 28O 1dyz -0.003109 0.000525 -0.005246 0.001398 0.001004 0.003952 28O 1dx2y2 -0.000504 -0.000961 -0.001220 -0.002923 0.001621 -0.000021 28O 1dxy 0.002722 -0.000749 0.001355 -0.002888 -0.002494 0.001776 28O 2dz2 0.026168 0.002774 0.022946 -0.001691 -0.012247 0.003100 28O 2dxz -0.007392 0.004244 -0.012149 -0.002682 0.036117 0.038123 28O 2dyz 0.005147 0.015538 -0.036870 -0.032892 -0.044845 0.044394 28O 2dx2y2 0.012744 -0.006532 0.010551 -0.023452 0.008007 0.013350 28O 2dxy -0.001595 0.000927 -0.018678 -0.020602 -0.017461 0.045359 28O 1f0 0.002623 0.002155 0.000047 -0.000900 -0.000878 -0.002701 28O 1f+1 0.001792 -0.000360 0.001394 -0.002471 0.002668 -0.002901 28O 1f-1 0.001835 -0.000575 0.001205 -0.000387 0.001898 -0.003164 28O 1f+2 -0.003271 -0.000032 0.000299 0.002433 0.001420 0.005366 28O 1f-2 0.000614 -0.000061 0.001204 -0.001198 0.000939 0.000844 28O 1f+3 -0.001429 0.000892 0.000248 0.000478 0.002517 0.000920 28O 1f-3 0.001545 -0.000474 0.000652 -0.000849 -0.000102 -0.002835 29O 1s 0.000742 -0.002112 0.010196 0.005095 -0.011856 0.000602 29O 2s 0.000407 -0.003755 0.020268 0.008073 -0.023946 0.001112 29O 3s 0.019967 -0.016524 0.047343 0.059983 -0.050127 0.003752 29O 4s -0.116233 0.178504 -0.701375 -0.522018 0.788687 -0.043187 29O 5s 0.221206 -0.447734 1.683479 1.253328 -1.863154 0.085579 29O 1pz 0.008075 0.003716 -0.006704 -0.005748 0.019502 0.003667 29O 1px -0.007801 0.012104 0.023695 -0.008786 -0.031054 0.000462 29O 1py 0.009641 0.002940 -0.006748 0.004130 0.010795 0.011125 29O 2pz -0.034218 0.010898 -0.045052 -0.013848 0.072331 0.016537 29O 2px 0.017031 -0.018048 0.143120 0.084868 -0.159822 0.017133 29O 2py -0.019516 0.047897 -0.048716 0.038596 0.050370 -0.012474 29O 3pz 0.061303 0.117443 0.103910 -0.206025 -0.180606 -0.183149 29O 3px -0.062080 0.211538 -0.569756 -0.271334 0.769671 -0.086338 29O 3py 0.166803 -0.214240 -0.089891 -0.372215 0.090165 0.116095 29O 1dz2 0.000627 -0.000396 -0.002423 -0.004093 0.000952 -0.001053 29O 1dxz -0.000547 -0.000671 0.000043 -0.004219 0.001236 0.001166 29O 1dyz 0.000198 0.001940 -0.000562 -0.002014 0.000548 -0.002504 29O 1dx2y2 -0.000513 0.001523 -0.001837 0.000676 0.002473 -0.000317 29O 1dxy 0.002820 -0.001028 0.000861 0.000584 0.000393 0.000693 29O 2dz2 0.029428 -0.022937 0.006793 0.001579 -0.009950 0.023861 29O 2dxz -0.000089 0.000426 0.032084 -0.024603 0.019429 -0.005061 29O 2dyz -0.013837 0.010907 -0.000169 0.021298 0.007760 -0.010899 29O 2dx2y2 -0.052862 0.022918 -0.042429 -0.096462 0.061771 -0.016453 29O 2dxy 0.029789 -0.030320 0.019537 -0.052842 -0.007840 0.029798 29O 1f0 -0.000940 0.000921 -0.001438 0.000456 0.002210 0.000280 29O 1f+1 -0.000529 -0.000283 0.001053 -0.000689 -0.000676 -0.000300 29O 1f-1 -0.000688 0.000031 -0.000432 0.000126 0.001134 0.000943 29O 1f+2 0.001211 -0.001107 0.000902 -0.000246 -0.002226 0.000856 29O 1f-2 0.001942 0.000701 -0.001134 -0.000647 0.000189 -0.000948 29O 1f+3 -0.001708 0.000212 0.000979 -0.002126 0.000038 -0.000328 29O 1f-3 -0.002274 0.000676 0.000237 -0.000756 -0.000167 0.000041 30O 1s 0.007188 -0.005282 -0.003922 0.002199 -0.009520 -0.005706 30O 2s 0.015337 -0.012945 -0.009064 0.003713 -0.021288 -0.011804 30O 3s 0.022280 0.011158 0.003397 0.025020 0.000255 -0.027215 30O 4s -0.382139 0.181116 0.088294 -0.187580 0.512334 0.309959 30O 5s 0.410616 0.399385 0.486834 0.354980 -2.491511 -0.184164 30O 1pz 0.037922 0.010093 -0.052262 0.030552 0.019780 0.055752 30O 1px -0.006918 0.007255 0.029808 0.017858 -0.035179 0.015391 30O 1py -0.026040 -0.056937 0.017764 -0.032945 -0.019664 -0.061456 30O 2pz 0.098857 0.016972 -0.071340 0.039589 0.091567 0.095738 30O 2px -0.075080 0.062335 0.055551 0.027562 -0.114153 0.129896 30O 2py -0.039081 -0.100595 0.051335 -0.063479 -0.078947 -0.117472 30O 3pz -0.377638 -0.569306 -0.195703 0.218942 0.301786 -0.839185 30O 3px 0.461572 0.136704 0.212694 -0.015598 -0.813438 0.011971 30O 3py 0.121003 1.004770 -0.035491 0.186416 -0.094282 1.045403 30O 1dz2 0.004352 0.001888 -0.001903 0.001770 -0.002751 0.003188 30O 1dxz 0.002901 0.003012 0.003138 -0.002162 -0.004531 0.002629 30O 1dyz -0.002536 0.000982 0.000151 -0.000308 -0.004815 0.005548 30O 1dx2y2 -0.004532 0.001737 -0.001261 -0.002725 0.000855 0.001134 30O 1dxy -0.002172 -0.002916 0.001494 -0.001498 0.002116 -0.001649 30O 2dz2 0.024539 0.024357 0.009971 0.016500 -0.001065 0.036020 30O 2dxz -0.006083 -0.003292 0.014250 0.007616 0.041179 -0.014074 30O 2dyz 0.030651 0.021078 -0.050628 0.020553 0.036776 0.021132 30O 2dx2y2 0.006475 0.016876 0.007628 -0.011070 0.019024 -0.007217 30O 2dxy 0.009729 0.021446 0.021914 0.016698 -0.043434 0.060315 30O 1f0 -0.000678 -0.000236 0.001779 -0.001008 0.000056 0.000682 30O 1f+1 -0.001267 0.000835 0.001347 0.000224 -0.000236 0.001344 30O 1f-1 0.000309 -0.000195 -0.000569 -0.000913 -0.000707 -0.001224 30O 1f+2 0.001412 0.000891 -0.001097 0.000479 0.003172 -0.003783 30O 1f-2 0.003167 -0.001165 -0.000597 0.000184 0.004283 -0.002755 30O 1f+3 -0.002021 0.001197 -0.002788 0.001399 -0.000753 0.000865 30O 1f-3 0.002320 -0.000277 -0.000209 -0.000362 0.004144 -0.005429 31O 1s 0.007235 0.005147 0.003722 -0.001332 0.009412 -0.005700 31O 2s 0.015439 0.012704 0.008584 -0.004066 0.020672 -0.011764 31O 3s 0.022474 -0.012423 -0.003001 0.022601 0.007472 -0.027535 31O 4s -0.384838 -0.170677 -0.081128 0.005831 -0.530175 0.311781 31O 5s 0.410809 -0.410350 -0.502589 -0.500009 2.431104 -0.211156 31O 1pz -0.037355 0.010412 -0.054568 -0.032428 0.009042 -0.053676 31O 1px 0.007671 0.007223 0.028620 -0.006949 -0.038737 -0.015946 31O 1py 0.025973 -0.057110 0.020808 0.036097 -0.007596 0.060450 31O 2pz -0.097863 0.017156 -0.074797 -0.062879 0.073583 -0.093090 31O 2px 0.076734 0.061140 0.051094 0.008793 -0.115531 -0.129112 31O 2py 0.039405 -0.099814 0.057672 0.082211 -0.052769 0.116159 31O 3pz 0.378605 -0.559135 -0.193265 -0.305333 0.209139 0.819540 31O 3px -0.460098 0.136386 0.225378 0.280157 -0.755908 -0.002652 31O 3py -0.113837 0.989477 -0.064333 -0.127224 -0.153565 -1.022300 31O 1dz2 0.004427 -0.001908 0.001959 0.000564 0.003094 0.003209 31O 1dxz 0.002989 -0.002978 -0.003239 -0.003442 0.003496 0.002602 31O 1dyz -0.002594 -0.000896 -0.000090 -0.001889 0.004401 0.005407 31O 1dx2y2 -0.004457 -0.001665 0.001189 -0.002371 -0.001641 0.001094 31O 1dxy -0.002137 0.002889 -0.001526 -0.000520 -0.002467 -0.001487 31O 2dz2 0.024843 -0.024726 -0.008614 0.015256 0.006680 0.036704 31O 2dxz -0.005564 0.003022 -0.013968 0.020947 -0.035836 -0.013379 31O 2dyz 0.030688 -0.022084 0.052048 0.028464 -0.028876 0.019480 31O 2dx2y2 0.006692 -0.016678 -0.008013 -0.003718 -0.021353 -0.007244 31O 2dxy 0.009040 -0.021422 -0.019902 0.003574 0.046200 0.060243 31O 1f0 0.000763 -0.000230 0.001769 0.000809 0.000353 -0.000696 31O 1f+1 0.001273 0.000842 0.001279 -0.000226 -0.000332 -0.001375 31O 1f-1 -0.000372 -0.000209 -0.000507 0.001107 -0.000375 0.001251 31O 1f+2 -0.001483 0.000947 -0.001029 -0.001383 0.002819 0.003823 31O 1f-2 -0.003196 -0.001131 -0.000514 -0.001487 0.003992 0.002782 31O 1f+3 0.002066 0.001212 -0.002864 -0.000935 -0.001138 -0.000790 31O 1f-3 -0.002328 -0.000248 -0.000058 -0.000956 0.004017 0.005463 32O 1s 0.000569 0.002032 -0.010026 0.001448 0.012960 0.000704 32O 2s 0.000042 0.003627 -0.020065 0.000767 0.025442 0.001359 32O 3s 0.019586 0.015707 -0.044275 0.043542 0.067628 0.003563 32O 4s -0.106377 -0.171252 0.679046 -0.275511 -0.922946 -0.046503 32O 5s 0.197428 0.430974 -1.630538 0.672238 2.184792 0.091509 32O 1pz -0.007359 0.003665 -0.006095 -0.000824 0.020332 -0.003212 32O 1px 0.008387 0.011254 0.024844 0.017482 -0.026769 -0.001524 32O 1py -0.009530 0.003074 -0.007109 -0.007265 0.009220 -0.011565 32O 2pz 0.033147 0.008687 -0.043338 -0.007427 0.070588 -0.016887 32O 2px -0.015587 -0.017232 0.139495 -0.034892 -0.179962 -0.017975 32O 2py 0.019679 0.048361 -0.050034 -0.050481 0.035210 0.011526 32O 3pz -0.052924 0.123956 0.118942 0.245785 -0.099832 0.190240 32O 3px 0.063017 0.207141 -0.555567 0.029121 0.817568 0.084029 32O 3py -0.170625 -0.214884 -0.078757 0.331247 0.211161 -0.109090 32O 1dz2 0.000681 0.000510 0.002157 -0.003630 -0.002224 -0.001002 32O 1dxz -0.000595 0.000777 -0.000194 -0.003531 -0.002540 0.001190 32O 1dyz 0.000196 -0.001943 0.000484 -0.001948 -0.001407 -0.002552 32O 1dx2y2 -0.000508 -0.001504 0.001882 0.001343 -0.002120 -0.000276 32O 1dxy 0.002708 0.001050 -0.000826 0.000752 -0.000273 0.000776 32O 2dz2 0.028583 0.023202 -0.006565 -0.001259 0.008995 0.025353 32O 2dxz -0.002419 -0.001370 -0.032137 -0.014175 -0.026578 -0.005869 32O 2dyz -0.013506 -0.011415 0.001619 0.019876 -0.002299 -0.011611 32O 2dx2y2 -0.053152 -0.020803 0.037116 -0.073315 -0.089685 -0.015626 32O 2dxy 0.028092 0.032047 -0.021805 -0.050712 -0.011141 0.031436 32O 1f0 0.000906 0.000866 -0.001409 -0.001070 0.001828 -0.000285 32O 1f+1 0.000560 -0.000312 0.001139 0.000837 -0.000492 0.000327 32O 1f-1 0.000661 0.000007 -0.000532 -0.000507 0.000975 -0.001009 32O 1f+2 -0.001143 -0.001081 0.000926 0.000927 -0.002036 -0.000826 32O 1f-2 -0.001962 0.000642 -0.000980 0.000536 0.000355 0.000889 32O 1f+3 0.001646 0.000185 0.001068 0.001973 0.000730 0.000330 32O 1f-3 0.002301 0.000653 0.000243 0.000811 0.000150 -0.000045 33O 1s 0.000313 0.000300 -0.003992 -0.003716 -0.002336 0.004420 33O 2s 0.000448 0.000913 -0.007807 -0.008631 -0.004411 0.009315 33O 3s -0.001066 -0.004474 -0.018048 0.009535 -0.013556 0.020608 33O 4s -0.035938 0.007097 0.328616 0.159956 0.096173 -0.242895 33O 5s 0.651131 0.176501 -1.977560 -1.059385 0.222714 0.090536 33O 1pz 0.010678 -0.040707 -0.014231 -0.045425 0.028410 0.064027 33O 1px -0.027546 0.012649 0.005114 0.005657 -0.035768 -0.003220 33O 1py -0.006837 -0.017013 0.023732 -0.040548 0.024369 0.037196 33O 2pz 0.048439 -0.076253 -0.074306 -0.126489 0.059788 0.094508 33O 2px -0.134956 -0.005831 0.072432 0.080609 -0.042692 0.103267 33O 2py -0.025609 -0.047136 0.005352 -0.069749 0.025196 0.085896 33O 3pz -0.223107 0.526018 -0.415233 0.335438 -0.107682 -0.968109 33O 3px 0.148206 -0.039720 0.710152 -0.072075 -0.295065 -0.043644 33O 3py 0.282000 0.060640 -0.066233 0.169272 0.047128 -0.285332 33O 1dz2 -0.000468 0.000979 0.000344 0.002853 0.003594 0.003980 33O 1dxz -0.001790 0.003715 -0.006779 -0.000021 0.000222 -0.004405 33O 1dyz -0.003045 -0.000547 0.005440 0.001338 -0.000487 0.003864 33O 1dx2y2 -0.000485 0.000988 0.001058 -0.002266 -0.002578 -0.000039 33O 1dxy 0.002596 0.000896 -0.001557 -0.003376 0.001364 0.001762 33O 2dz2 0.027134 -0.002284 -0.023591 -0.005462 0.010467 0.003332 33O 2dxz -0.006614 -0.003604 0.013451 0.008745 -0.035794 0.038351 33O 2dyz 0.006529 -0.014871 0.035420 -0.048314 0.030874 0.044287 33O 2dx2y2 0.012826 0.007021 -0.011968 -0.019457 -0.015335 0.012589 33O 2dxy -0.001194 -0.000111 0.018344 -0.026015 0.008884 0.045411 33O 1f0 -0.002615 0.002184 0.000184 0.001169 -0.000524 0.002717 33O 1f+1 -0.001770 -0.000329 0.001593 0.001412 0.003326 0.002900 33O 1f-1 -0.001883 -0.000534 0.001312 -0.000293 0.001904 0.003127 33O 1f+2 0.003287 -0.000082 0.000011 -0.002813 0.000516 -0.005383 33O 1f-2 -0.000577 -0.000097 0.001267 0.000758 0.001303 -0.000865 33O 1f+3 0.001477 0.000881 0.000167 -0.001303 0.002194 -0.000966 33O 1f-3 -0.001512 -0.000474 0.000768 0.000793 0.000215 0.002823 34O 1s 0.003996 0.014365 -0.019210 -0.004110 0.002080 -0.002365 34O 2s 0.007952 0.032697 -0.042696 -0.010060 0.004950 -0.004755 34O 3s 0.029762 0.004074 -0.010845 0.017450 -0.001254 -0.017852 34O 4s -0.287000 -0.620623 0.847435 0.100903 -0.006371 0.103466 34O 5s -0.263272 0.467515 -2.114839 -0.283936 -0.865967 0.536738 34O 1pz 0.043702 0.021116 0.011471 -0.036143 0.019553 -0.001610 34O 1px 0.053434 0.021186 0.011213 0.005227 -0.002044 0.033969 34O 1py -0.055106 -0.042310 -0.000170 0.014287 0.023035 0.021545 34O 2pz 0.139576 0.022285 0.011889 -0.086445 -0.018093 -0.047094 34O 2px 0.020366 0.000460 -0.056987 -0.024057 -0.054517 0.203420 34O 2py -0.153350 -0.119134 -0.041006 0.037685 0.068002 0.084579 34O 3pz -0.722532 -0.202176 0.265538 0.453269 0.332873 0.132231 34O 3px -1.282128 -0.976483 -0.131348 -0.050808 -0.650768 -0.409590 34O 3py 1.224665 0.930356 0.131682 0.095959 0.049088 -0.230218 34O 1dz2 -0.005204 -0.001914 -0.001414 0.000954 0.000023 0.001528 34O 1dxz 0.000325 0.000111 -0.002330 -0.000097 0.001440 -0.003249 34O 1dyz 0.001629 0.001210 -0.001402 0.000553 -0.003247 0.005255 34O 1dx2y2 0.004058 0.003689 0.002876 0.000261 0.003701 0.001719 34O 1dxy -0.005969 -0.001023 -0.001613 -0.003122 -0.004817 0.002830 34O 2dz2 0.016770 0.020135 -0.000321 -0.008613 0.018764 -0.012127 34O 2dxz -0.001979 0.010383 -0.006777 0.006295 0.004148 0.010044 34O 2dyz -0.032451 -0.026939 0.001946 0.019012 -0.042908 0.000236 34O 2dx2y2 -0.048680 -0.025639 -0.003453 -0.027573 -0.010885 0.005622 34O 2dxy 0.005713 -0.002462 0.002088 0.005543 0.009415 -0.021208 34O 1f0 -0.001454 0.000546 -0.001835 0.000116 -0.000354 0.000898 34O 1f+1 0.002095 -0.000071 -0.000172 0.000740 0.000743 -0.003137 34O 1f-1 0.000053 0.000410 -0.000478 -0.001050 0.000298 0.000072 34O 1f+2 0.000334 0.000381 -0.002618 0.000457 -0.000304 0.000276 34O 1f-2 -0.001862 0.000439 -0.002113 0.000299 0.000070 0.004026 34O 1f+3 0.003875 0.000970 0.002801 0.001396 -0.000664 -0.006561 34O 1f-3 -0.002633 -0.000673 -0.002385 -0.001084 -0.001429 0.000907 35O 1s -0.005112 -0.012302 0.010261 0.001866 0.018703 0.006610 35O 2s -0.011275 -0.027170 0.022791 0.002732 0.042525 0.013700 35O 3s -0.010982 -0.005020 0.003491 0.031302 -0.000315 0.029640 35O 4s 0.260500 0.597640 -0.525227 -0.215648 -0.768274 -0.331820 35O 5s -0.177732 -2.601845 2.064362 0.325956 1.000375 -0.134491 35O 1pz -0.059266 0.032358 -0.012042 0.003875 0.022844 0.017951 35O 1px -0.028251 -0.006660 0.020143 0.051620 -0.006091 -0.048283 35O 1py -0.039918 -0.011081 -0.007920 0.024094 -0.005383 0.001848 35O 2pz -0.146828 0.080172 -0.024440 0.039648 0.044390 0.123086 35O 2px -0.000977 -0.132506 0.094428 0.098349 -0.000074 -0.205297 35O 2py -0.065131 0.003590 0.060773 0.050887 0.026551 0.027078 35O 3pz 0.898824 -0.143013 -0.162847 -0.600994 -0.540644 -0.444909 35O 3px 0.520016 -0.662320 0.620335 -0.903644 -0.582929 0.271056 35O 3py 0.334378 -0.852426 -0.034141 -0.624054 -0.701565 -0.549240 35O 1dz2 0.002059 -0.000454 0.001817 -0.002695 -0.000970 0.002959 35O 1dxz -0.002584 0.000024 0.000478 0.002707 0.001445 0.000974 35O 1dyz -0.001181 -0.001182 -0.002419 -0.000134 -0.002471 0.005134 35O 1dx2y2 -0.001671 0.005213 -0.002616 0.001335 0.000350 -0.000674 35O 1dxy -0.000007 0.007488 -0.004036 0.002879 0.001689 0.004666 35O 2dz2 -0.047422 0.041700 -0.011842 0.022517 0.014748 -0.007542 35O 2dxz 0.013096 -0.003821 0.036493 -0.001213 0.003819 -0.021175 35O 2dyz -0.023342 -0.018441 -0.012914 0.000896 0.009664 -0.005988 35O 2dx2y2 0.002832 -0.009011 0.022733 -0.012555 -0.010420 -0.008099 35O 2dxy 0.008115 -0.019174 0.036865 -0.007129 -0.001859 -0.020282 35O 1f0 -0.000247 -0.000923 -0.000755 0.000103 -0.001455 -0.000589 35O 1f+1 -0.003330 0.003268 -0.003607 0.001563 -0.000818 0.004884 35O 1f-1 -0.000491 0.002612 -0.003233 0.000649 -0.003433 0.002818 35O 1f+2 0.001579 -0.000412 0.000749 0.000567 0.002382 -0.001374 35O 1f-2 -0.000117 0.000242 -0.000771 -0.000439 -0.000607 0.003883 35O 1f+3 -0.001830 0.000174 -0.001394 0.000830 0.000460 0.002375 35O 1f-3 -0.002605 0.002243 -0.002536 0.001514 0.000234 0.003027 264 265 266 267 268 269 0.96105 0.96564 0.96920 0.97217 0.98005 0.99929 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s 0.001098 -0.000665 0.000918 0.001170 0.001079 0.000771 0Rh 2s -0.003083 0.004468 -0.002739 -0.005151 -0.007169 -0.002247 0Rh 3s 0.004515 -0.001134 0.003672 0.003665 0.001889 0.003119 0Rh 4s 0.013661 -0.021422 0.012208 0.024056 0.034342 0.009992 0Rh 5s -0.000864 0.036492 -0.002242 -0.027155 -0.057567 -0.001192 0Rh 6s -0.077497 -0.031878 -0.063770 -0.023152 0.043974 -0.056038 0Rh 7s 0.360792 0.045628 0.280793 -0.438189 0.060752 0.266065 0Rh 8s 0.224987 1.070253 0.096484 -0.374552 -1.277710 0.077309 0Rh 1pz 0.013046 0.018541 0.013103 -0.000888 -0.004057 0.008692 0Rh 1px 0.001113 -0.005615 0.000914 0.008606 0.017194 0.000120 0Rh 1py -0.010825 0.000348 0.004761 -0.009269 0.012548 0.005286 0Rh 2pz -0.043804 -0.062964 -0.043967 0.003109 0.014096 -0.029033 0Rh 2px -0.003874 0.019577 -0.003235 -0.029157 -0.059004 -0.000441 0Rh 2py 0.036387 -0.001091 -0.016083 0.031313 -0.042706 -0.017671 0Rh 3pz 0.007977 0.025845 0.007261 -0.003091 -0.012532 0.001621 0Rh 3px 0.003015 -0.018940 0.003672 0.009987 0.037432 0.000617 0Rh 3py -0.007067 -0.001390 0.004855 -0.009222 0.019010 0.001132 0Rh 4pz 0.201461 0.233290 0.204972 -0.005133 -0.022642 0.149736 0Rh 4px 0.012628 -0.024240 0.005327 0.120597 0.158297 0.002030 0Rh 4py -0.167234 0.011622 0.066415 -0.131706 0.153986 0.091462 0Rh 5pz -0.291601 -0.309138 -0.286183 0.010660 -0.015250 -0.224523 0Rh 5px -0.044860 -0.045445 -0.020140 -0.202913 -0.097419 -0.017333 0Rh 5py 0.244016 -0.024460 -0.090862 0.190896 -0.209175 -0.144079 0Rh 6pz 1.789188 0.896850 1.240987 -0.349554 0.928393 0.862962 0Rh 6px 0.973574 1.516836 0.417802 1.645959 -1.788641 0.319564 0Rh 6py -1.146550 0.061426 0.839576 -0.898860 0.764052 0.767010 0Rh 1dz2 -0.001621 -0.018189 -0.006989 -0.007421 0.015489 0.012731 0Rh 1dxz -0.002554 -0.005075 -0.012609 0.030305 0.024311 -0.021270 0Rh 1dyz -0.001628 -0.002180 -0.020985 0.014908 -0.000876 0.031477 0Rh 1dx2y2 -0.000137 0.009068 -0.002305 -0.019577 -0.020663 0.007242 0Rh 1dxy 0.022741 0.017732 -0.005805 -0.020405 -0.002034 0.001618 0Rh 2dz2 0.000832 0.003845 0.000223 0.001744 -0.004044 -0.004130 0Rh 2dxz 0.000341 0.000225 0.002832 -0.005811 -0.005521 0.005075 0Rh 2dyz 0.002830 -0.001491 0.002402 -0.002914 -0.001414 -0.007901 0Rh 2dx2y2 0.000993 -0.002956 0.000755 0.003129 0.005192 -0.001447 0Rh 2dxy -0.004984 -0.004741 0.000455 0.004864 0.000482 -0.000001 0Rh 3dz2 -0.000196 0.021654 0.013634 0.008260 -0.014853 -0.009007 0Rh 3dxz 0.003938 0.009307 0.014362 -0.038401 -0.027105 0.023207 0Rh 3dyz -0.008737 0.011072 0.033638 -0.018697 0.008170 -0.032044 0Rh 3dx2y2 -0.003976 -0.006095 0.001646 0.027270 0.020773 -0.009044 0Rh 3dxy -0.026453 -0.016736 0.010190 0.022016 0.002239 -0.003151 0Rh 4dz2 0.014569 0.068801 0.008253 0.029388 -0.076616 -0.070297 0Rh 4dxz 0.005611 0.012897 0.049049 -0.113677 -0.105163 0.088839 0Rh 4dyz 0.044564 -0.025208 0.048645 -0.054474 -0.024104 -0.144920 0Rh 4dx2y2 0.015430 -0.054247 0.012930 0.068282 0.098215 -0.027264 0Rh 4dxy -0.086793 -0.086595 0.010467 0.088592 0.007612 -0.004696 0Rh 5dz2 -0.067868 -0.105057 0.046755 -0.069364 0.248488 0.242447 0Rh 5dxz 0.014049 -0.015794 -0.091883 0.312803 0.278692 -0.207855 0Rh 5dyz -0.251423 0.243575 0.012157 0.111508 0.194417 0.487841 0Rh 5dx2y2 -0.104247 0.163895 -0.053496 -0.200304 -0.251546 0.057751 0Rh 5dxy 0.150952 0.286159 0.006942 -0.263739 0.040009 0.042777 0Rh 1f0 0.012766 0.004948 0.004415 0.000065 -0.013085 0.004194 0Rh 1f+1 -0.004612 -0.008020 0.001003 0.014661 0.001162 0.000822 0Rh 1f-1 0.002363 -0.021342 -0.009208 0.009964 -0.022824 -0.009941 0Rh 1f+2 0.013011 0.018289 0.007708 0.021743 -0.005672 0.006416 0Rh 1f-2 0.007632 0.005870 -0.001109 0.018695 -0.013167 -0.014749 0Rh 1f+3 -0.008148 -0.014693 -0.003864 0.011343 0.003910 -0.002982 0Rh 1f-3 -0.012040 -0.004153 -0.005991 0.018904 0.001804 0.010381 1Rh 1s 0.001058 0.000660 0.000794 -0.001316 -0.001140 0.000856 1Rh 2s -0.002825 -0.004484 -0.002113 0.005551 0.007321 -0.002668 1Rh 3s 0.004439 0.001093 0.003337 -0.004272 -0.002154 0.003360 1Rh 4s 0.012429 0.021515 0.009251 -0.025816 -0.034999 0.011971 1Rh 5s 0.001188 -0.036964 0.001761 0.026992 0.057252 -0.003691 1Rh 6s -0.079234 0.033481 -0.063756 0.034539 -0.038540 -0.057224 1Rh 7s 0.378408 -0.050684 0.313598 0.383496 -0.087048 0.265179 1Rh 8s 0.274571 -1.080514 0.175843 0.354098 1.268404 0.055632 1Rh 1pz -0.012675 0.018732 -0.013179 0.000690 -0.003626 -0.008228 1Rh 1px -0.000456 -0.005362 0.000351 0.008713 0.017240 -0.000883 1Rh 1py 0.010872 0.000376 -0.005363 -0.009240 0.012344 -0.005593 1Rh 2pz 0.042557 -0.063604 0.044241 -0.002180 0.012650 0.027453 1Rh 2px 0.001626 0.018728 -0.001079 -0.029531 -0.059167 0.003052 1Rh 2py -0.036556 -0.001179 0.018104 0.031214 -0.042020 0.018685 1Rh 3pz -0.007665 0.025920 -0.007691 -0.002343 -0.012316 -0.000862 1Rh 3px -0.001699 -0.018755 -0.001525 0.010286 0.037589 -0.002064 1Rh 3py 0.007318 -0.001531 -0.005190 -0.009130 0.018883 -0.000929 1Rh 4pz -0.195985 0.236447 -0.204675 0.020031 -0.015826 -0.144272 1Rh 4px -0.005910 -0.020481 0.009259 0.121825 0.158715 -0.010153 1Rh 4py 0.167092 0.012705 -0.075985 -0.131553 0.150782 -0.097806 1Rh 5pz 0.283135 -0.314112 0.284475 -0.024758 -0.024721 0.217392 1Rh 5px 0.037725 -0.050491 0.001437 -0.207242 -0.099005 0.026029 1Rh 5py -0.242906 -0.027297 0.105490 0.190584 -0.204311 0.155012 1Rh 6pz -1.751902 0.922603 -1.230212 -0.192130 0.974220 -0.841357 1Rh 6px -0.978400 1.528505 -0.353476 1.722932 -1.755769 -0.304278 1Rh 6py 1.129086 0.099221 -0.916957 -0.858510 0.744389 -0.882592 1Rh 1dz2 -0.001225 0.018431 -0.007565 0.008435 -0.015122 0.012629 1Rh 1dxz -0.003657 0.005270 -0.015470 -0.028691 -0.023753 -0.019767 1Rh 1dyz -0.001978 0.002659 -0.021881 -0.012621 0.001721 0.031555 1Rh 1dx2y2 0.001199 -0.009435 -0.000597 0.019248 0.020316 0.004853 1Rh 1dxy 0.022957 -0.018043 -0.003739 0.020433 0.001323 0.003005 1Rh 2dz2 0.000725 -0.003893 0.000342 -0.001834 0.003967 -0.004134 1Rh 2dxz 0.000570 -0.000240 0.003394 0.005478 0.005437 0.004770 1Rh 2dyz 0.002904 0.001323 0.002598 0.002561 0.001173 -0.007908 1Rh 2dx2y2 0.000740 0.002986 0.000456 -0.003129 -0.005188 -0.000869 1Rh 2dxy -0.005043 0.004755 -0.000047 -0.004808 -0.000332 -0.000281 1Rh 3dz2 -0.000575 -0.021950 0.014311 -0.009989 0.014418 -0.008760 1Rh 3dxz 0.005254 -0.009650 0.017922 0.036434 0.026292 0.021375 1Rh 3dyz -0.008325 -0.011349 0.034667 0.015423 -0.008905 -0.032174 1Rh 3dx2y2 -0.005674 0.006736 -0.000608 -0.026591 -0.020064 -0.006508 1Rh 3dxy -0.026653 0.017327 0.008004 -0.022309 -0.001380 -0.004886 1Rh 4dz2 0.012806 -0.069748 0.010693 -0.031486 0.075165 -0.070490 1Rh 4dxz 0.009982 -0.013243 0.060053 0.107806 0.103582 0.082722 1Rh 4dyz 0.045921 0.022325 0.052261 0.047813 0.019775 -0.145065 1Rh 4dx2y2 0.010437 0.054954 0.006481 -0.068025 -0.097960 -0.016458 1Rh 4dxy -0.087868 0.087036 0.001413 -0.087811 -0.005021 -0.009722 1Rh 5dz2 -0.062031 0.107368 0.040262 0.067060 -0.244249 0.245585 1Rh 5dxz 0.003288 0.015024 -0.121143 -0.303294 -0.278048 -0.188611 1Rh 5dyz -0.253635 -0.233974 0.002915 -0.106578 -0.177385 0.487885 1Rh 5dx2y2 -0.093350 -0.163273 -0.036019 0.204915 0.256411 0.024237 1Rh 5dxy 0.153752 -0.284800 0.031883 0.260259 -0.042629 0.054107 1Rh 1f0 -0.012729 0.004933 -0.004575 0.000704 -0.012750 -0.003884 1Rh 1f+1 0.004925 -0.008058 0.000058 0.014440 0.001225 -0.001434 1Rh 1f-1 -0.002995 -0.021588 0.009546 0.009251 -0.022902 0.010038 1Rh 1f+2 -0.011759 0.018585 -0.005864 0.022781 -0.005303 -0.006357 1Rh 1f-2 -0.007262 0.005918 0.002396 0.018788 -0.012682 0.015150 1Rh 1f+3 0.008261 -0.014592 0.004494 0.010734 0.003730 0.001972 1Rh 1f-3 0.012539 -0.004205 0.007721 0.018313 0.001107 -0.010595 2C 1s 0.000443 0.004394 -0.005246 0.002488 0.002987 0.007001 2C 2s 0.000676 0.010470 -0.011086 0.004839 0.005288 0.016817 2C 3s -0.030422 -0.024793 0.039516 0.030694 0.058973 0.067960 2C 4s 0.188722 -0.019708 -0.013504 -0.218063 -0.377732 -0.730030 2C 5s 1.794222 -1.136637 -0.348127 -0.725630 0.019802 -2.207291 2C 1pz -0.066214 -0.095698 0.077282 -0.052081 -0.073261 -0.082443 2C 1px 0.005777 -0.096737 0.027268 -0.008657 0.012498 -0.086743 2C 1py 0.073953 -0.041936 0.107983 0.013304 -0.009310 -0.016928 2C 2pz -0.179239 -0.523001 0.503944 -0.319113 -0.465897 -0.637228 2C 2px -0.095837 -0.352405 -0.231619 -0.298449 -0.159759 -0.699615 2C 2py 0.211934 -0.178827 0.433795 -0.051678 -0.362915 -0.275525 2C 3pz 0.098488 -0.514461 0.055106 -0.237224 -0.362749 -0.693130 2C 3px 0.158957 -0.420683 -0.213782 -0.031010 -0.250187 -0.610874 2C 3py 0.700168 -0.303398 0.300846 -0.114928 0.241854 -0.381969 2C 1dz2 0.005451 0.003001 0.001025 0.005925 0.005100 0.005311 2C 1dxz 0.002429 0.002875 -0.006913 0.001412 -0.002224 0.000203 2C 1dyz 0.001808 0.000669 -0.005976 -0.000603 0.001274 -0.002231 2C 1dx2y2 0.001476 -0.002327 0.001345 0.000631 -0.002121 -0.004550 2C 1dxy -0.004631 -0.001352 -0.007407 -0.001397 -0.002910 -0.005557 2C 2dz2 -0.295928 -0.307194 0.279087 -0.198201 -0.577143 -0.269892 2C 2dxz 0.195528 0.087622 0.668098 0.259680 -0.068060 0.542004 2C 2dyz -0.064800 -0.778397 0.527397 -0.320684 -0.384238 -0.762291 2C 2dx2y2 0.135966 -0.018494 -0.320226 0.051654 0.021166 -0.232457 2C 2dxy -0.332853 -0.302096 0.114220 -0.092801 -0.064137 -0.199444 2C 1f0 0.009952 -0.002196 -0.004804 0.000635 -0.008843 -0.010128 2C 1f+1 -0.011855 -0.018212 -0.000203 -0.011003 -0.008204 -0.025269 2C 1f-1 -0.005174 -0.020135 0.023399 -0.006809 -0.019903 -0.016824 2C 1f+2 -0.004352 0.008817 0.011799 0.006413 0.002252 0.027697 2C 1f-2 0.011417 0.017756 -0.004563 0.006958 0.006542 0.011346 2C 1f+3 0.001352 -0.017358 0.029997 -0.003164 -0.015764 -0.003925 2C 1f-3 -0.006024 -0.021869 -0.004300 -0.011397 -0.007414 -0.031626 3C 1s -0.001818 -0.000384 0.004376 0.005204 -0.002083 -0.008475 3C 2s -0.002836 -0.000783 0.009602 0.010716 -0.004393 -0.019796 3C 3s 0.036255 -0.015779 -0.029048 0.026461 -0.011026 -0.064451 3C 4s -0.156499 0.095609 0.019849 -0.246327 0.173447 0.771832 3C 5s -0.987216 0.245874 1.115357 -1.563640 -0.912740 3.535665 3C 1pz 0.089614 -0.023738 -0.026637 -0.032328 -0.003164 -0.031881 3C 1px 0.033664 -0.039181 -0.058558 -0.042650 0.088453 0.014495 3C 1py -0.016836 -0.022449 0.076871 0.111945 -0.028427 -0.154929 3C 2pz 0.442303 -0.223482 -0.196380 -0.213832 0.042544 0.083547 3C 2px -0.209222 0.037486 -0.320965 -0.471466 0.244980 0.254437 3C 2py -0.145265 -0.114745 0.399043 0.684658 -0.336231 -0.974504 3C 3pz 0.415325 0.045965 0.111901 -0.248695 0.108398 0.068248 3C 3px -0.080648 0.150743 0.061111 -0.215109 0.196283 0.364593 3C 3py 0.365178 0.055099 -0.060023 0.778885 0.286652 -1.378823 3C 1dz2 0.002208 0.003195 -0.001767 -0.000390 -0.000249 -0.000656 3C 1dxz -0.003212 0.003777 0.003431 0.001326 -0.003311 0.002770 3C 1dyz 0.003218 -0.000692 -0.002457 -0.001769 -0.000389 -0.002740 3C 1dx2y2 -0.004575 0.006803 -0.006023 -0.004375 0.001487 0.006172 3C 1dxy 0.009661 -0.003714 -0.001126 0.000244 0.002460 0.004062 3C 2dz2 0.129949 0.008042 0.165407 0.173330 0.052928 -0.463806 3C 2dxz 0.458850 -0.035515 0.046088 -0.009885 -0.039051 0.260849 3C 2dyz 0.053772 -0.184515 0.568575 0.847388 -0.521665 -0.727944 3C 2dx2y2 -0.300987 0.117555 0.410519 0.477786 0.030101 -0.017018 3C 2dxy -0.556672 0.225386 0.287824 0.204286 -0.260117 -0.039446 3C 1f0 -0.022773 0.009876 0.021819 0.024540 -0.007908 -0.003013 3C 1f+1 -0.017416 0.005935 -0.004183 -0.006622 0.010697 0.005519 3C 1f-1 -0.006066 -0.003721 0.010920 0.016199 -0.013107 -0.020931 3C 1f+2 0.005672 -0.003139 -0.009654 -0.007649 0.004229 -0.007299 3C 1f-2 0.009960 -0.000656 0.001572 0.006293 -0.006960 -0.010908 3C 1f+3 0.004378 0.001403 -0.010757 -0.019795 0.009296 0.034510 3C 1f-3 0.009740 -0.005853 0.020124 0.026223 -0.015741 -0.018917 4C 1s 0.008636 -0.003838 0.000324 0.001347 0.001310 -0.002128 4C 2s 0.022549 -0.005482 -0.003724 0.006204 0.007525 0.000945 4C 3s -0.096168 -0.175167 0.289891 -0.180919 -0.275250 -0.320550 4C 4s 0.143922 1.352227 -1.708769 0.968459 1.554478 1.522454 4C 5s -2.283989 0.093848 1.122021 -0.111304 -0.074801 0.891228 4C 1pz -0.016148 0.024821 0.032222 -0.008294 -0.030559 -0.022733 4C 1px 0.003797 0.011555 -0.034102 -0.048598 0.013318 -0.078932 4C 1py -0.032925 0.027744 0.009947 -0.046267 -0.016880 -0.004735 4C 2pz -0.335012 -0.603120 0.597108 -0.240060 -0.814287 -0.471354 4C 2px 0.092375 -0.542242 0.318292 0.026702 0.597948 -0.187991 4C 2py -0.180853 -0.567515 0.464222 -0.162833 -0.273357 -0.375752 4C 3pz 1.074031 -0.078646 -0.539393 -0.503552 0.214809 -1.211893 4C 3px 0.569144 -0.611252 1.135499 0.432310 1.291622 0.304522 4C 3py 0.332597 -0.346279 -0.146021 -0.077247 0.042983 -0.631243 4C 1dz2 0.003748 -0.003886 0.001811 -0.006275 -0.000646 -0.014321 4C 1dxz 0.004511 -0.004672 0.009176 -0.001388 -0.000336 -0.000078 4C 1dyz -0.000140 -0.009796 0.000345 -0.002480 -0.009219 -0.013609 4C 1dx2y2 0.000352 0.002154 -0.006588 0.002826 0.008666 0.006950 4C 1dxy 0.001455 -0.006647 0.003016 0.002996 0.006483 0.003458 4C 2dz2 -0.178652 0.069355 -0.072042 0.001512 -0.100715 0.259257 4C 2dxz 0.005166 -0.052357 0.014392 0.054247 0.163373 0.008169 4C 2dyz -0.068213 0.130080 -0.064038 0.111320 0.145460 0.416085 4C 2dx2y2 -0.224665 -0.030485 -0.118569 -0.118584 -0.179477 -0.087054 4C 2dxy -0.031034 -0.074107 0.081818 0.074481 0.345944 0.122584 4C 1f0 -0.000385 -0.004840 0.010015 0.000716 0.002661 -0.003164 4C 1f+1 0.004792 -0.008717 0.004849 -0.010814 -0.017278 -0.026023 4C 1f-1 -0.004723 -0.008212 0.016144 -0.009766 -0.026275 -0.012814 4C 1f+2 -0.004655 0.012971 -0.021426 0.003117 -0.001223 0.011645 4C 1f-2 -0.001856 -0.010643 0.003125 -0.006259 -0.003267 -0.015992 4C 1f+3 -0.004315 0.003614 -0.006507 -0.006306 -0.017264 -0.006201 4C 1f-3 0.002567 -0.000143 0.004304 -0.007889 -0.023627 -0.010607 5C 1s 0.000180 -0.002292 0.006966 -0.005116 -0.004359 0.007778 5C 2s -0.001244 -0.006532 0.022339 -0.007533 -0.014133 0.013615 5C 3s 0.139331 0.052213 -0.319249 -0.281619 0.210957 0.293380 5C 4s -1.037313 -0.167025 1.412214 2.160553 -0.898349 -1.698610 5C 5s 0.775623 0.342629 -2.276182 1.235096 1.443226 -2.021486 5C 1pz 0.010727 0.044556 -0.023977 0.024681 0.001077 0.001660 5C 1px -0.063470 -0.007368 -0.054381 -0.062874 0.019423 0.004860 5C 1py -0.032536 -0.012340 0.018923 -0.015002 -0.018771 -0.034723 5C 2pz 0.178058 0.169143 -0.371849 -0.493022 0.050012 0.370212 5C 2px 0.188083 -0.641417 -0.323450 -0.244778 0.802775 0.197268 5C 2py -0.331471 0.000338 0.650104 0.806742 -0.335258 -0.551739 5C 3pz -1.025706 0.352725 0.406362 -0.267886 -0.795192 1.430892 5C 3px 0.568377 -1.109046 0.097979 0.217617 0.859739 0.578801 5C 3py 0.517948 -0.667690 -0.819288 0.106292 0.427628 -1.546016 5C 1dz2 -0.003990 -0.000838 -0.004695 -0.002723 -0.006168 0.001853 5C 1dxz 0.007021 -0.002180 -0.001015 -0.003296 0.005255 0.007695 5C 1dyz 0.008715 0.000761 0.004269 0.011102 0.001706 -0.011661 5C 1dx2y2 -0.000477 -0.005240 0.004944 0.009300 -0.004335 -0.011368 5C 1dxy -0.004149 0.001512 0.002206 0.005599 -0.004179 -0.007541 5C 2dz2 0.020375 -0.016334 0.051478 -0.071685 -0.059891 0.095422 5C 2dxz 0.293810 -0.227369 0.155783 0.136133 0.198862 -0.173464 5C 2dyz -0.117930 -0.062604 -0.030267 -0.189039 0.063574 0.551954 5C 2dx2y2 0.023295 -0.142183 -0.054376 0.001666 0.249624 0.050973 5C 2dxy 0.071763 0.213696 0.052840 -0.089743 -0.030529 0.177086 5C 1f0 -0.001715 -0.010837 0.006642 0.010413 0.002963 -0.004169 5C 1f+1 0.002742 0.011457 -0.002219 -0.011780 -0.005508 0.009506 5C 1f-1 -0.004011 -0.003675 0.000899 0.000480 0.004233 0.002033 5C 1f+2 -0.014772 0.008610 0.008748 0.007823 -0.012925 -0.011161 5C 1f-2 -0.007577 0.012642 0.012459 0.015628 -0.020753 -0.018730 5C 1f+3 -0.003969 0.012184 -0.015361 -0.027830 0.001631 0.021580 5C 1f-3 -0.011884 0.003105 0.000971 0.007472 -0.007811 -0.020306 6C 1s 0.000274 0.002411 0.007629 0.004379 0.004299 0.008537 6C 2s -0.001092 0.006786 0.023636 0.005309 0.013772 0.015391 6C 3s 0.143490 -0.051461 -0.301650 0.305637 -0.199387 0.300188 6C 4s -1.064928 0.166432 1.249963 -2.245320 0.846935 -1.812409 6C 5s 0.751118 -0.428954 -2.425776 -1.076857 -1.407317 -2.247136 6C 1pz -0.009576 0.045438 0.025401 0.022918 0.000063 -0.001945 6C 1px 0.061757 -0.007886 0.050632 -0.069835 0.017620 -0.004954 6C 1py 0.031911 -0.012224 -0.021292 -0.013580 -0.018742 0.032539 6C 2pz -0.195345 0.173516 0.323316 -0.517298 0.037835 -0.379367 6C 2px -0.174009 -0.638012 0.331602 -0.263412 0.793376 -0.223025 6C 2py 0.353925 -0.007297 -0.582080 0.848237 -0.317057 0.573431 6C 3pz 0.990869 0.319428 -0.472384 -0.270665 -0.816531 -1.403219 6C 3px -0.549797 -1.120863 -0.034361 0.244308 0.883305 -0.622276 6C 3py -0.516939 -0.606798 0.844767 0.065767 0.399777 1.488878 6C 1dz2 -0.003635 0.000804 -0.004202 0.003254 0.006455 0.001970 6C 1dxz 0.006893 0.002216 -0.000901 0.003193 -0.005206 0.008017 6C 1dyz 0.008272 -0.000922 0.003112 -0.011678 -0.002291 -0.011963 6C 1dx2y2 -0.000535 0.004970 0.004316 -0.009815 0.004077 -0.011710 6C 1dxy -0.004181 -0.001695 0.001867 -0.005669 0.004054 -0.007924 6C 2dz2 0.026427 0.022530 0.058052 0.068457 0.054606 0.105111 6C 2dxz 0.280653 0.222850 0.133188 -0.158533 -0.213911 -0.169365 6C 2dyz -0.115942 0.070723 -0.013770 0.195521 -0.049618 0.569590 6C 2dx2y2 0.018272 0.144311 -0.065272 0.004111 -0.248763 0.047725 6C 2dxy 0.074461 -0.212427 0.063003 0.084444 0.030340 0.170765 6C 1f0 0.002230 -0.010983 -0.005513 0.011014 0.003144 0.003822 6C 1f+1 -0.003164 0.011340 0.000998 -0.011891 -0.005625 -0.009697 6C 1f-1 0.004135 -0.003695 -0.000698 0.000444 0.004128 -0.001885 6C 1f+2 0.014736 0.008547 -0.008335 0.008045 -0.012683 0.012166 6C 1f-2 0.007388 0.012737 -0.011881 0.016487 -0.020176 0.019918 6C 1f+3 0.003105 0.011779 0.012961 -0.029365 0.000830 -0.022005 6C 1f-3 0.011974 0.003292 -0.000504 0.007178 -0.007596 0.021436 7C 1s 0.008622 0.003488 -0.000054 -0.001744 -0.001621 -0.002444 7C 2s 0.022272 0.004509 -0.004887 -0.006847 -0.008170 0.000532 7C 3s -0.082660 0.183424 0.305301 0.159939 0.268449 -0.343443 7C 4s 0.062733 -1.392499 -1.769077 -0.829202 -1.507408 1.697345 7C 5s -2.274092 0.058046 1.201002 0.153965 0.101536 1.018596 7C 1pz 0.015427 0.025118 -0.033590 -0.005285 -0.030210 0.024454 7C 1px -0.004849 0.009766 0.030032 -0.052355 0.014430 0.082165 7C 1py 0.032477 0.026714 -0.014226 -0.046279 -0.018312 0.006069 7C 2pz 0.291239 -0.619144 -0.623335 -0.199277 -0.800593 0.511678 7C 2px -0.077421 -0.547624 -0.291130 0.053345 0.608056 0.183655 7C 2py 0.160726 -0.581357 -0.475837 -0.130889 -0.264731 0.397311 7C 3pz -1.110864 0.020309 0.513889 -0.457600 0.248097 1.218599 7C 3px -0.520935 -0.610419 -1.071756 0.554538 1.326027 -0.306231 7C 3py -0.334552 -0.267626 0.146604 -0.036337 0.049428 0.568337 7C 1dz2 0.004274 0.003972 0.002123 0.006061 0.000227 -0.015501 7C 1dxz 0.004539 0.004588 0.009134 0.000327 0.000097 -0.000612 7C 1dyz 0.000260 0.009687 0.000575 0.002448 0.009041 -0.013722 7C 1dx2y2 0.000185 -0.002090 -0.006776 -0.002250 -0.008544 0.007523 7C 1dxy 0.001266 0.006480 0.002438 -0.003228 -0.006627 0.003442 7C 2dz2 -0.179665 -0.070043 -0.067063 0.010686 0.110916 0.270289 7C 2dxz -0.003109 0.051473 0.007233 -0.057616 -0.160674 0.023433 7C 2dyz -0.074256 -0.118213 -0.069249 -0.100410 -0.137883 0.433478 7C 2dx2y2 -0.217297 0.032371 -0.099088 0.136100 0.190053 -0.071582 7C 2dxy -0.041419 0.077975 0.063649 -0.074198 -0.346830 0.120388 7C 1f0 0.000231 -0.004555 -0.009556 0.001772 0.003060 0.003367 7C 1f+1 -0.005394 -0.008770 -0.005716 -0.010213 -0.016727 0.027547 7C 1f-1 0.003581 -0.008527 -0.017241 -0.008475 -0.025946 0.014309 7C 1f+2 0.004790 0.013206 0.021172 0.001130 -0.001706 -0.012781 7C 1f-2 0.001600 -0.010969 -0.003414 -0.006256 -0.003041 0.016752 7C 1f+3 0.003845 0.003398 0.005542 -0.007126 -0.017381 0.007171 7C 1f-3 -0.003242 -0.000120 -0.005320 -0.007363 -0.023315 0.011994 8C 1s -0.001924 0.000383 0.003945 -0.005468 0.001889 -0.008614 8C 2s -0.003084 0.000770 0.008703 -0.011305 0.003925 -0.019980 8C 3s 0.036580 0.012881 -0.030607 -0.027056 0.010103 -0.067780 8C 4s -0.157107 -0.078373 0.034337 0.258421 -0.164054 0.788951 8C 5s -0.930825 -0.147465 1.298532 1.505109 0.931868 3.592081 8C 1pz -0.090332 -0.022918 0.024846 -0.031718 0.000215 0.028941 8C 1px -0.032079 -0.039432 0.058553 -0.046792 0.087995 -0.015782 8C 1py 0.019978 -0.023014 -0.066086 0.116483 -0.023559 0.158586 8C 2pz -0.446138 -0.220288 0.181848 -0.216459 0.049330 -0.109355 8C 2px 0.203250 0.032146 0.290258 -0.510121 0.231054 -0.257611 8C 2py 0.159326 -0.109910 -0.341862 0.711680 -0.310022 0.999764 8C 3pz -0.410870 0.034053 -0.123360 -0.227773 0.132721 -0.087092 8C 3px 0.093042 0.137042 -0.075906 -0.215222 0.192873 -0.362154 8C 3py -0.333804 0.077465 0.146162 0.783294 0.310774 1.421268 8C 1dz2 0.002121 -0.003190 -0.001683 0.000418 0.000293 -0.000473 8C 1dxz -0.003284 -0.003758 0.003482 -0.001493 0.003360 0.002898 8C 1dyz 0.003281 0.000581 -0.002317 0.001860 0.000259 -0.002524 8C 1dx2y2 -0.004464 -0.006890 -0.005553 0.005004 -0.001061 0.005884 8C 1dxy 0.009555 0.003518 -0.001242 -0.000509 -0.002542 0.004276 8C 2dz2 0.123578 -0.005125 0.142474 -0.190045 -0.071944 -0.470602 8C 2dxz 0.456248 0.026351 0.054039 -0.011332 0.033358 0.289526 8C 2dyz 0.038853 0.181552 0.507207 -0.897298 0.494083 -0.734341 8C 2dx2y2 -0.315874 -0.108403 0.366455 -0.500570 -0.034485 -0.048454 8C 2dxy -0.557269 -0.220626 0.278084 -0.205348 0.260528 -0.056469 8C 1f0 0.023565 0.009667 -0.019980 0.025486 -0.007786 0.004639 8C 1f+1 0.016936 0.005457 0.004428 -0.008203 0.010335 -0.004762 8C 1f-1 0.006236 -0.003874 -0.009587 0.016754 -0.012494 0.021246 8C 1f+2 -0.005826 -0.002841 0.009006 -0.007972 0.004093 0.007514 8C 1f-2 -0.010032 -0.000209 -0.001017 0.006447 -0.006340 0.010295 8C 1f+3 -0.004842 0.001434 0.009183 -0.020838 0.008571 -0.035454 8C 1f-3 -0.009440 -0.005655 -0.018174 0.028114 -0.014545 0.018420 9C 1s 0.000243 -0.004402 -0.005378 -0.002014 -0.002752 0.007189 9C 2s 0.000289 -0.010453 -0.011307 -0.003835 -0.004718 0.017027 9C 3s -0.031944 0.026915 0.036392 -0.032137 -0.059980 0.076406 9C 4s 0.197455 0.005610 0.004758 0.204354 0.371381 -0.776264 9C 5s 1.867620 0.960929 -0.343341 0.614179 -0.083742 -2.236771 9C 1pz 0.060739 -0.095696 -0.081389 -0.046124 -0.071728 0.084000 9C 1px -0.004004 -0.096772 -0.026144 -0.007593 0.014124 0.086678 9C 1py -0.074141 -0.045728 -0.105146 0.023922 -0.004637 0.026053 9C 2pz 0.146723 -0.518129 -0.528068 -0.273578 -0.450341 0.666842 9C 2px 0.085718 -0.355719 0.209774 -0.328493 -0.157210 0.713138 9C 2py -0.219726 -0.195646 -0.432516 -0.013330 -0.349065 0.327847 9C 3pz -0.123275 -0.472844 -0.066990 -0.203174 -0.353641 0.693529 9C 3px -0.153752 -0.397355 0.222323 -0.043962 -0.251859 0.607578 9C 3py -0.716004 -0.298794 -0.283883 -0.061857 0.273664 0.454150 9C 1dz2 0.005125 -0.003151 0.000419 -0.006185 -0.005174 0.005281 9C 1dxz 0.002390 -0.002821 -0.006937 -0.000940 0.002306 -0.000026 9C 1dyz 0.001815 -0.000904 -0.005871 0.001022 -0.001241 -0.001850 9C 1dx2y2 0.001571 0.002488 0.001384 -0.000710 0.001931 -0.004636 9C 1dxy -0.004460 0.001294 -0.007272 0.002217 0.003140 -0.005441 9C 2dz2 -0.277276 0.318808 0.294222 0.185133 0.575750 -0.288351 9C 2dxz 0.186957 -0.087435 0.641228 -0.327559 0.056779 0.537346 9C 2dyz -0.029584 0.794747 0.551445 0.281640 0.364170 -0.807970 9C 2dx2y2 0.128850 0.007752 -0.322521 -0.026393 -0.019774 -0.210684 9C 2dxy -0.316376 0.296040 0.119539 0.088465 0.067939 -0.187499 9C 1f0 -0.009638 -0.002214 0.004837 0.000355 -0.008575 0.010422 9C 1f+1 0.010705 -0.017987 -0.000267 -0.011441 -0.008076 0.025491 9C 1f-1 0.004201 -0.020684 -0.023988 -0.004969 -0.019480 0.018576 9C 1f+2 0.004892 0.007883 -0.011639 0.007107 0.001832 -0.027604 9C 1f-2 -0.010567 0.017836 0.004669 0.007110 0.006329 -0.011457 9C 1f+3 -0.002344 -0.017647 -0.029983 -0.000361 -0.014673 0.004787 9C 1f-3 0.005303 -0.022935 0.002290 -0.012371 -0.007829 0.032372 10H 1s 0.007541 -0.005054 -0.007806 0.001455 0.015508 -0.024032 10H 2s -0.122470 0.272356 0.934950 0.254328 -0.092774 1.017231 10H 3s -0.174000 0.131101 -0.207350 -0.058811 0.013860 0.003748 10H 1pz 0.002300 0.000027 0.058384 0.022434 0.003923 0.053688 10H 1px 0.005708 -0.010370 -0.068072 -0.012636 0.004794 -0.060698 10H 1py -0.011357 0.004262 0.014943 0.009950 -0.008061 0.019379 11H 1s 0.020837 0.026536 -0.002767 0.015376 0.014741 0.032454 11H 2s -0.641282 -0.842429 -0.126422 -0.489591 -0.193318 -0.971265 11H 3s 0.013062 0.196750 -0.060811 0.225026 -0.140539 0.212217 11H 1pz -0.022537 -0.037329 0.002935 -0.031402 -0.008568 -0.046249 11H 1px -0.034061 -0.039559 -0.007739 -0.026784 -0.010010 -0.046304 11H 1py 0.014674 0.034574 0.002201 0.012252 0.008352 0.040169 12H 1s -0.018895 0.013309 -0.022378 0.000229 0.001274 0.004727 12H 2s 0.354756 -0.281411 0.374197 0.029504 -0.271331 -0.230722 12H 3s 0.060610 0.061038 0.029370 0.097543 0.269901 0.128920 12H 1pz -0.018691 0.011872 -0.014214 -0.008651 -0.008783 0.009685 12H 1px 0.003380 0.000290 0.001681 -0.008331 -0.012856 -0.003922 12H 1py 0.004529 -0.022906 0.021885 -0.009967 -0.035859 -0.021014 13H 1s -0.013934 -0.001523 -0.002914 0.010823 0.014701 0.001107 13H 2s 1.015448 -0.267664 -0.000218 0.174482 -0.277260 -0.198220 13H 3s -0.161287 0.089776 -0.064888 0.019930 0.023863 -0.234200 13H 1pz 0.054636 -0.022346 -0.004796 0.007162 -0.015171 0.001360 13H 1px -0.060420 0.014401 0.004239 -0.001693 0.006005 0.009487 13H 1py -0.044062 0.018564 0.001855 -0.014469 -0.008453 0.015179 14H 1s -0.015712 0.012603 0.013736 0.018663 -0.016375 0.014740 14H 2s 0.196813 -0.217775 -0.574865 -0.438404 0.349613 -0.465773 14H 3s 0.178609 0.051748 0.160332 0.283139 0.192188 -0.210512 14H 1pz 0.001480 -0.009632 -0.031513 -0.025964 0.014198 -0.004834 14H 1px 0.002012 -0.003631 -0.039151 -0.043209 0.008458 -0.021155 14H 1py 0.010151 -0.010078 -0.002267 0.005967 0.016157 0.000673 15H 1s 0.008661 -0.003064 0.016366 0.025538 -0.010863 -0.043380 15H 2s -0.350178 0.350474 -0.375453 -0.598733 0.492782 0.933441 15H 3s -0.054234 -0.185507 0.067876 0.178307 -0.185414 -0.147641 15H 1pz 0.021106 -0.013315 0.016574 0.034839 -0.018127 -0.055052 15H 1px -0.004566 0.001884 -0.006889 -0.010145 0.010203 0.013136 15H 1py 0.004496 -0.021770 0.027278 0.040991 -0.035100 -0.040285 16H 1s -0.000513 0.002987 0.011830 0.006718 -0.003034 -0.001233 16H 2s -0.025585 0.062621 0.000063 0.055657 -0.331776 0.051314 16H 3s -0.069031 -0.210773 0.021746 -0.120991 0.195600 0.041966 16H 1pz 0.000389 -0.007994 -0.008829 -0.016138 0.009620 0.003432 16H 1px 0.035839 0.057810 0.039357 -0.021085 0.000398 0.008729 16H 1py 0.006376 0.030407 -0.000703 0.019751 -0.047550 0.013101 17H 1s 0.003555 -0.005301 -0.007294 -0.003526 -0.005008 0.000308 17H 2s 0.118259 0.278873 0.067012 0.145558 -0.313383 0.056292 17H 3s -0.070425 -0.175722 -0.085517 -0.032246 0.235686 -0.063904 17H 1pz 0.007982 -0.002443 0.000722 0.036395 -0.017488 0.011075 17H 1px -0.016034 -0.034593 -0.013708 -0.034045 -0.010771 0.001675 17H 1py -0.008537 -0.000277 0.007688 0.014653 -0.043406 0.017410 18H 1s 0.003013 0.006169 -0.006998 0.004560 0.005198 0.000066 18H 2s 0.115677 -0.278140 0.064865 -0.155906 0.308622 0.043698 18H 3s -0.075567 0.181420 -0.092108 0.044874 -0.232126 -0.068356 18H 1pz -0.007895 -0.002192 0.002774 0.036454 -0.016912 -0.007828 18H 1px 0.015441 -0.036552 0.010953 -0.036094 -0.011290 -0.002011 18H 1py 0.007843 -0.001074 -0.006566 0.016732 -0.044363 -0.014585 19H 1s -0.001211 -0.002400 0.011388 -0.007279 0.002995 -0.001662 19H 2s -0.021436 -0.060179 0.005078 -0.059761 0.332749 0.044231 19H 3s -0.076401 0.215209 0.020893 0.121479 -0.191547 0.039596 19H 1pz -0.001016 -0.007941 0.007420 -0.016552 0.010080 -0.005302 19H 1px -0.034159 0.057638 -0.041572 -0.017679 0.002349 -0.008670 19H 1py -0.006872 0.031111 0.001088 0.019086 -0.046230 -0.009676 20H 1s 0.007816 0.003071 0.013881 -0.026970 0.009011 -0.043516 20H 2s -0.340949 -0.347658 -0.328196 0.640585 -0.454793 0.924453 20H 3s -0.054995 0.182035 0.055479 -0.182172 0.180350 -0.138087 20H 1pz -0.020364 -0.012981 -0.013648 0.036791 -0.016172 0.055198 20H 1px 0.004562 0.002298 0.006399 -0.011347 0.009730 -0.014172 20H 1py -0.003812 -0.021755 -0.024209 0.043389 -0.033176 0.039055 21H 1s -0.015680 -0.012578 0.012939 -0.019273 0.016652 0.013772 21H 2s 0.199614 0.214054 -0.558799 0.483353 -0.353577 -0.460994 21H 3s 0.158290 -0.054484 0.127613 -0.302262 -0.204531 -0.215005 21H 1pz -0.002226 -0.009214 0.029936 -0.028775 0.013318 0.004626 21H 1px -0.002934 -0.003321 0.035980 -0.046293 0.008090 0.020530 21H 1py -0.009414 -0.010146 0.003600 0.005908 0.016509 -0.000966 22H 1s -0.014422 0.001764 -0.004573 -0.010001 -0.014325 -0.000655 22H 2s 1.017797 0.246347 -0.002043 -0.216435 0.252442 -0.159454 22H 3s -0.161740 -0.089472 -0.071610 -0.005979 -0.023559 -0.238595 22H 1pz -0.054641 -0.021041 0.004362 0.009195 -0.014281 -0.003517 22H 1px 0.060626 0.013509 -0.003991 -0.003746 0.004922 -0.007277 22H 1py 0.043657 0.017849 -0.003291 -0.016074 -0.009388 -0.013521 23H 1s -0.018999 -0.014033 -0.021802 0.001823 -0.000197 0.007094 23H 2s 0.348248 0.315031 0.366170 -0.056632 0.253500 -0.279067 23H 3s 0.049565 -0.057072 0.013486 -0.097857 -0.271565 0.116729 23H 1pz 0.018212 0.012328 0.012777 -0.009976 -0.009512 -0.010923 23H 1px -0.003826 -0.000803 -0.002242 -0.008118 -0.012074 0.005979 23H 1py -0.004926 -0.025047 -0.022649 -0.009184 -0.035401 0.023340 24H 1s 0.019418 -0.026151 -0.004134 -0.015880 -0.014664 0.031360 24H 2s -0.608574 0.841252 -0.085297 0.522797 0.197068 -0.963112 24H 3s -0.005830 -0.195385 -0.073377 -0.221180 0.149477 0.223774 24H 1pz 0.019873 -0.037601 -0.005430 -0.032211 -0.007984 0.046587 24H 1px 0.032424 -0.039970 0.005718 -0.029164 -0.010672 0.046679 24H 1py -0.013277 0.033586 -0.001124 0.012189 0.007805 -0.039407 25H 1s 0.006474 0.005076 -0.007942 -0.000534 -0.015820 -0.022885 25H 2s -0.116316 -0.263273 0.915616 -0.342906 0.085498 1.013786 25H 3s -0.177028 -0.114928 -0.195664 0.087151 -0.005511 0.000104 25H 1pz -0.001910 0.000021 -0.056491 0.027925 0.004644 -0.053887 25H 1px -0.005204 -0.009968 0.066773 -0.019056 0.004025 0.060605 25H 1py 0.011149 0.004023 -0.013788 0.011170 -0.008113 -0.019665 26O 1s 0.001504 0.006756 -0.012749 -0.006906 0.000905 -0.001188 26O 2s 0.003311 0.014961 -0.026913 -0.015498 0.002128 -0.003071 26O 3s 0.000625 0.005557 -0.039729 -0.000884 0.008347 0.009160 26O 4s -0.086177 -0.354175 0.699331 0.341687 0.016799 0.051391 26O 5s 0.447778 1.602848 -1.411929 -0.993631 -1.315171 0.016485 26O 1pz -0.000788 0.026566 -0.039947 -0.022541 -0.029135 -0.026994 26O 1px -0.023378 -0.044630 -0.020192 -0.027687 -0.021384 -0.047259 26O 1py -0.054440 0.010115 -0.054193 -0.025786 -0.056813 -0.035185 26O 2pz 0.031064 0.120004 -0.047213 -0.029246 -0.037044 0.007923 26O 2px -0.062335 -0.122394 -0.068440 0.020211 0.065290 -0.041577 26O 2py -0.138144 0.022417 -0.114217 -0.050011 -0.052590 -0.024524 26O 3pz -0.047936 -0.317800 0.288581 -0.006406 0.312099 -0.052878 26O 3px 0.144225 -0.279764 0.590826 0.065728 1.155648 0.195916 26O 3py 0.521380 -0.151274 0.483948 0.157483 0.523615 0.022417 26O 1dz2 0.000210 0.003449 -0.003537 0.000937 -0.002892 0.001429 26O 1dxz 0.001203 0.001065 -0.000802 0.002450 0.004193 0.001669 26O 1dyz -0.002014 0.000693 -0.002464 0.001007 0.003419 0.003013 26O 1dx2y2 0.001818 -0.002806 0.006288 0.002341 0.005092 0.000582 26O 1dxy -0.001878 -0.001500 0.000744 0.000926 0.002721 0.000767 26O 2dz2 -0.002169 -0.008477 0.028009 0.007991 0.022963 0.042401 26O 2dxz -0.001100 0.013517 -0.013601 0.007785 -0.024279 -0.020883 26O 2dyz 0.013253 0.034180 0.054851 -0.011736 0.029968 0.050831 26O 2dx2y2 -0.004593 0.030499 0.019160 0.000005 -0.034815 0.016702 26O 2dxy -0.001726 0.040820 0.018525 -0.023733 -0.043730 0.001994 26O 1f0 -0.000713 -0.000005 -0.000133 -0.000699 -0.001186 -0.000304 26O 1f+1 0.000870 0.002835 0.001449 -0.001784 -0.002841 -0.002691 26O 1f-1 0.001316 0.002876 0.001881 -0.001459 -0.001433 -0.000489 26O 1f+2 -0.000284 -0.001163 0.000398 0.001912 0.001219 0.001554 26O 1f-2 0.000494 0.001700 0.000331 -0.000730 -0.000732 -0.000183 26O 1f+3 -0.001298 0.001751 0.001049 -0.001752 -0.003179 0.000021 26O 1f-3 0.000339 0.002438 0.002020 -0.001315 -0.002868 -0.002545 27O 1s -0.007175 0.012495 0.004157 0.000974 -0.004951 -0.003699 27O 2s -0.015592 0.027842 0.008823 0.002165 -0.010621 -0.007006 27O 3s -0.014613 0.005443 0.013176 0.006176 -0.010011 -0.029648 27O 4s 0.338499 -0.646595 -0.241697 -0.033556 0.337445 0.220603 27O 5s -0.312855 2.404315 0.809198 -0.278776 -2.078572 -0.089401 27O 1pz -0.046580 0.015813 0.005344 -0.014103 -0.034490 0.032014 27O 1px -0.056106 0.002321 -0.044199 -0.074366 0.019987 0.002535 27O 1py 0.033164 -0.014791 0.005122 0.025829 0.014040 0.006107 27O 2pz -0.074292 0.056188 0.036663 -0.018034 -0.110966 0.105542 27O 2px -0.135846 -0.077753 -0.055029 -0.059341 0.091560 -0.063172 27O 2py 0.027007 -0.004521 -0.031173 0.015730 0.067412 0.036544 27O 3pz 0.051695 0.106901 -0.284707 0.097025 0.087281 -0.270447 27O 3px 0.501059 -0.729550 -0.183098 0.589371 0.800538 -0.053487 27O 3py -0.359881 -0.053134 0.062878 -0.329706 -0.520470 -0.133121 27O 1dz2 -0.000136 0.005400 0.002855 -0.001729 -0.003166 0.002007 27O 1dxz -0.005719 0.003211 0.000388 0.000487 -0.003073 0.001097 27O 1dyz 0.001853 0.000959 0.000563 -0.000334 0.000693 0.004156 27O 1dx2y2 0.002599 -0.003710 -0.003042 -0.000346 0.004844 0.002521 27O 1dxy -0.001499 0.003866 -0.002281 -0.005244 -0.004741 0.003991 27O 2dz2 -0.020862 -0.025157 0.008392 0.012130 0.033119 0.001170 27O 2dxz -0.013462 0.023817 -0.001932 0.007462 -0.005111 0.011072 27O 2dyz -0.073319 0.000215 -0.007673 -0.020004 0.005255 0.011898 27O 2dx2y2 -0.012162 0.024092 -0.012151 -0.011976 -0.015440 0.018531 27O 2dxy -0.011909 -0.022554 -0.007874 -0.017770 0.021457 -0.017806 27O 1f0 -0.000701 -0.002892 0.000146 -0.000191 0.001725 -0.001597 27O 1f+1 0.000469 0.001062 -0.001942 -0.000437 -0.000690 0.001904 27O 1f-1 0.000274 -0.000471 0.000649 -0.000091 0.000139 -0.000101 27O 1f+2 -0.001228 -0.000525 -0.000961 -0.000501 0.000196 0.000551 27O 1f-2 0.000891 -0.002850 0.000159 0.000160 0.002194 -0.002707 27O 1f+3 0.002480 0.002877 -0.000484 -0.000287 -0.001140 0.003531 27O 1f-3 0.000978 -0.001584 0.002241 0.002119 0.000775 -0.000478 28O 1s 0.002388 0.012699 -0.002253 0.002290 0.009654 0.003635 28O 2s 0.005381 0.027155 -0.005616 0.003558 0.021047 0.006710 28O 3s -0.000958 0.034540 0.002295 0.030827 0.015402 0.030831 28O 4s -0.122504 -0.677177 0.079739 -0.231585 -0.557792 -0.194432 28O 5s 0.649577 0.920828 0.226233 0.681758 2.311600 -0.051830 28O 1pz 0.006689 -0.048219 0.054332 0.046222 0.005923 0.025210 28O 1px 0.012629 0.031083 -0.031441 -0.007307 0.024083 -0.035719 28O 1py 0.011777 -0.019014 0.025803 0.018697 0.015373 0.009940 28O 2pz 0.018521 -0.071364 0.080352 0.078405 -0.014734 0.101605 28O 2px 0.035602 0.015378 -0.025981 0.018286 0.101088 -0.152744 28O 2py 0.052877 -0.045739 0.053142 0.036528 0.024539 0.014068 28O 3pz -0.544267 0.927419 -1.006966 -0.335028 -0.411685 -0.676915 28O 3px 0.438241 -0.319318 0.389772 -0.086567 0.544346 0.252701 28O 3py -0.393123 0.480513 -0.390955 -0.082413 0.146099 -0.280586 28O 1dz2 -0.001979 0.002914 -0.003939 -0.001383 -0.004538 0.001675 28O 1dxz 0.002746 -0.002233 0.004577 0.002106 0.005876 0.003148 28O 1dyz -0.000824 -0.001169 -0.000015 -0.000882 -0.000831 0.005874 28O 1dx2y2 -0.005506 -0.000591 0.000100 0.000426 -0.004410 -0.000824 28O 1dxy -0.000301 -0.001633 0.002215 0.001279 -0.001434 0.002603 28O 2dz2 -0.017537 0.018136 -0.034068 -0.011817 0.000614 -0.012654 28O 2dxz -0.028295 0.014483 -0.034061 0.008031 -0.032060 0.018293 28O 2dyz -0.010902 0.010640 -0.041399 -0.014801 0.022476 -0.043163 28O 2dx2y2 -0.021014 -0.026035 0.003902 -0.014867 -0.015185 -0.002673 28O 2dxy -0.014242 0.002244 -0.016599 0.006854 -0.031682 -0.005631 28O 1f0 0.001048 -0.000356 0.000849 -0.001199 0.000430 -0.003198 28O 1f+1 -0.000892 -0.000116 0.002601 0.000361 0.001196 0.002029 28O 1f-1 0.001308 0.003202 0.000580 0.001132 0.003692 -0.001788 28O 1f+2 -0.000805 -0.001057 -0.002435 0.000666 -0.001793 0.003610 28O 1f-2 0.000178 0.000924 0.000925 0.001213 0.000744 0.001019 28O 1f+3 0.001063 0.000586 0.000220 0.002293 0.002262 0.002835 28O 1f-3 0.000136 0.000821 0.000811 0.001506 0.000630 0.000181 29O 1s 0.000393 -0.002216 -0.000626 -0.010079 0.004413 -0.001053 29O 2s 0.002093 -0.002239 -0.000528 -0.023348 0.005019 -0.001679 29O 3s -0.020230 -0.047719 -0.014955 0.009348 0.089277 -0.011392 29O 4s 0.080271 0.367998 0.096754 0.387529 -0.691206 0.110272 29O 5s -0.189776 -0.974070 -0.201717 -0.848530 1.769570 -0.277861 29O 1pz -0.010986 -0.010135 -0.007842 0.014504 0.004615 -0.008870 29O 1px -0.000820 0.011334 -0.002335 -0.060635 -0.026030 0.003245 29O 1py 0.003552 0.007992 0.000327 0.010136 -0.026889 -0.000156 29O 2pz 0.022991 0.035545 -0.020546 0.032093 -0.041021 0.003206 29O 2px -0.022947 -0.065732 -0.036416 -0.108745 0.097344 -0.023573 29O 2py 0.004591 0.044857 0.014770 -0.008659 -0.033294 0.010971 29O 3pz -0.265073 -0.382182 -0.065093 -0.215881 0.144825 -0.039518 29O 3px 0.019798 0.275233 0.078595 0.371171 -0.544315 0.076806 29O 3py 0.088572 0.037851 -0.053761 0.174250 -0.212666 -0.027119 29O 1dz2 0.000535 0.000520 0.001243 0.002579 -0.002064 0.001227 29O 1dxz -0.000886 -0.001223 -0.001452 0.002282 -0.000441 -0.000723 29O 1dyz -0.002124 -0.002142 -0.000015 -0.001202 0.000479 -0.000130 29O 1dx2y2 -0.001289 0.001510 -0.000345 -0.001295 -0.003293 0.000281 29O 1dxy 0.000090 -0.001275 -0.000811 0.000592 -0.000088 -0.000939 29O 2dz2 0.013094 0.025234 0.005500 0.046848 -0.004098 -0.002032 29O 2dxz -0.050309 -0.093901 -0.033480 -0.000694 0.022074 -0.002838 29O 2dyz -0.007421 -0.014486 0.014807 -0.025470 0.024167 0.004625 29O 2dx2y2 0.017874 0.026137 0.016303 -0.031022 -0.088179 0.026365 29O 2dxy -0.013659 -0.015581 -0.009800 0.048909 -0.035598 0.011981 29O 1f0 0.000166 0.001184 -0.000085 0.000095 -0.001196 0.000881 29O 1f+1 -0.000370 -0.002113 -0.000409 -0.001070 0.000445 0.000038 29O 1f-1 0.000125 0.000166 -0.001187 0.000194 -0.001079 0.000684 29O 1f+2 0.000924 0.001036 0.000257 0.000483 0.000545 -0.000786 29O 1f-2 -0.000780 0.001278 0.001090 0.000985 -0.000818 -0.000129 29O 1f+3 0.000637 -0.000876 -0.000119 -0.001545 0.000133 0.000060 29O 1f-3 -0.000219 0.000031 0.000112 -0.000684 -0.000671 0.001285 30O 1s -0.002038 -0.001450 0.005230 0.010880 -0.006770 -0.004078 30O 2s -0.005158 -0.001925 0.011126 0.023187 -0.014410 -0.007854 30O 3s 0.004332 -0.018914 0.015341 0.031011 -0.025171 -0.030167 30O 4s 0.102700 0.194798 -0.266953 -0.601553 0.357283 0.247785 30O 5s -0.088031 -1.504424 0.494421 1.188801 0.178328 -0.254583 30O 1pz 0.037631 -0.020452 -0.005748 0.021343 0.031126 -0.002486 30O 1px -0.038083 -0.006001 0.006227 0.023092 0.006679 0.008601 30O 1py -0.059434 0.037553 -0.006565 -0.016778 -0.059637 -0.005632 30O 2pz 0.068162 0.002357 -0.005093 0.021352 0.037797 -0.045537 30O 2px -0.067791 -0.072186 -0.005699 0.062120 0.088775 0.075120 30O 2py -0.114251 0.032046 -0.028213 -0.040564 -0.069416 0.015113 30O 3pz -0.492188 0.525834 0.100579 0.345805 -0.593787 0.128750 30O 3px 0.360601 -0.567468 0.099659 -0.196756 0.311414 -0.054276 30O 3py 1.217781 -0.713868 0.255610 -0.275418 0.865491 -0.062019 30O 1dz2 0.000827 0.000250 0.001704 0.000828 0.002623 0.000018 30O 1dxz 0.001365 -0.003679 0.000915 -0.000184 0.001908 -0.001861 30O 1dyz -0.000210 -0.005043 -0.000125 0.001143 0.000275 0.005550 30O 1dx2y2 0.002443 0.000265 -0.002187 -0.000253 0.002288 0.000945 30O 1dxy -0.006699 0.003794 -0.001847 -0.000212 -0.004326 0.002524 30O 2dz2 0.041978 -0.016405 0.028085 0.006734 0.029096 0.000671 30O 2dxz -0.003884 -0.000241 0.007694 0.001987 -0.029308 -0.027380 30O 2dyz 0.027987 -0.014280 0.012370 -0.014743 -0.036508 0.005009 30O 2dx2y2 0.040435 -0.010070 -0.002306 -0.013238 0.036212 -0.018059 30O 2dxy 0.035492 -0.036723 0.003582 0.000042 0.034233 0.014038 30O 1f0 0.000069 0.001191 -0.001524 -0.003219 0.001837 0.001018 30O 1f+1 0.000876 -0.001278 0.001087 0.001203 -0.000250 0.000779 30O 1f-1 0.000231 0.000134 -0.000509 -0.000752 -0.000639 -0.000632 30O 1f+2 0.001733 0.000768 0.001027 -0.001844 -0.000613 -0.003805 30O 1f-2 -0.002398 0.001601 0.000721 -0.002092 -0.002029 -0.001497 30O 1f+3 0.001625 -0.001137 0.000558 0.003712 -0.000979 0.000503 30O 1f-3 -0.000739 -0.000069 0.001244 -0.000936 -0.002793 -0.002990 31O 1s -0.002475 0.001479 0.004261 -0.011296 0.006826 -0.003990 31O 2s -0.006132 0.002032 0.009035 -0.024054 0.014576 -0.007754 31O 3s 0.004085 0.018167 0.013326 -0.032379 0.024400 -0.028714 31O 4s 0.124860 -0.193929 -0.214292 0.621700 -0.359155 0.230796 31O 5s -0.169799 1.504126 0.342345 -1.229141 -0.168020 -0.119180 31O 1pz -0.036314 -0.020215 0.007803 0.021597 0.031854 0.001029 31O 1px 0.038646 -0.006441 -0.003677 0.022654 0.005816 -0.008386 31O 1py 0.057982 0.037175 0.003215 -0.018784 -0.061854 0.007017 31O 2pz -0.067147 0.002593 0.006867 0.022606 0.040776 0.044640 31O 2px 0.072011 -0.074209 0.015576 0.058780 0.086218 -0.079266 31O 2py 0.111749 0.031393 0.022347 -0.045834 -0.076232 -0.014209 31O 3pz 0.485800 0.533568 -0.092615 0.337521 -0.610790 -0.067755 31O 3px -0.341427 -0.565465 -0.097485 -0.172785 0.312930 0.011729 31O 3py -1.194694 -0.708042 -0.242062 -0.213722 0.915340 0.005799 31O 1dz2 0.000590 -0.000222 0.001473 -0.001015 -0.002650 -0.000089 31O 1dxz 0.001267 0.003764 0.000775 0.000062 -0.002025 -0.001565 31O 1dyz -0.000304 0.005104 -0.000235 -0.001136 -0.000182 0.006008 31O 1dx2y2 0.002432 -0.000305 -0.002202 0.000377 -0.002316 0.001028 31O 1dxy -0.006466 -0.003707 -0.001623 0.000593 0.004550 0.002259 31O 2dz2 0.041271 0.016626 0.026128 -0.010409 -0.031059 0.000649 31O 2dxz -0.002499 0.000463 0.008293 -0.001914 0.028080 -0.028183 31O 2dyz 0.029683 0.013862 0.015445 0.012314 0.035776 0.005851 31O 2dx2y2 0.040334 0.009560 -0.002567 0.012147 -0.037243 -0.017704 31O 2dxy 0.034983 0.037033 0.002125 -0.001635 -0.034313 0.015300 31O 1f0 -0.000144 0.001175 0.001292 -0.003370 0.001735 -0.001048 31O 1f+1 -0.000897 -0.001311 -0.000970 0.001301 -0.000188 -0.000786 31O 1f-1 -0.000270 0.000135 0.000405 -0.000785 -0.000635 0.000613 31O 1f+2 -0.001826 0.000841 -0.001236 -0.001688 -0.000490 0.003846 31O 1f-2 0.002267 0.001606 -0.001017 -0.002088 -0.002014 0.001528 31O 1f+3 -0.001507 -0.001083 -0.000302 0.003838 -0.000954 -0.000595 31O 1f-3 0.000605 -0.000019 -0.001430 -0.000818 -0.002718 0.003046 32O 1s 0.000571 0.002178 -0.000001 0.010160 -0.004439 -0.001167 32O 2s 0.002597 0.002173 0.001085 0.023394 -0.005150 -0.002104 32O 3s -0.021954 0.047189 -0.018478 -0.007141 -0.088074 -0.008290 32O 4s 0.082422 -0.364278 0.089154 -0.402458 0.686361 0.098005 32O 5s -0.201739 0.968509 -0.193640 0.885639 -1.757765 -0.244462 32O 1pz 0.011239 -0.010858 0.009146 0.012853 0.004628 0.008356 32O 1px -0.001940 0.011435 -0.002980 -0.060384 -0.025550 -0.000293 32O 1py -0.004314 0.008166 -0.000213 0.010566 -0.026778 0.001788 32O 2pz -0.023087 0.034306 0.022049 0.030629 -0.039325 -0.002688 32O 2px 0.021984 -0.066987 0.031449 -0.113928 0.096335 0.024677 32O 2py -0.006799 0.046683 -0.016567 -0.006299 -0.032632 -0.011591 32O 3pz 0.262843 -0.386188 0.053927 -0.227933 0.136692 0.033618 32O 3px -0.028860 0.282761 -0.070938 0.385971 -0.538969 -0.082318 32O 3py -0.079918 0.026498 0.063644 0.170736 -0.213072 0.040311 32O 1dz2 0.000545 -0.000598 0.001093 -0.002797 0.002057 0.001138 32O 1dxz -0.000885 0.001236 -0.001631 -0.002127 0.000515 -0.000753 32O 1dyz -0.002084 0.002147 0.000062 0.001117 -0.000217 -0.000023 32O 1dx2y2 -0.001147 -0.001578 -0.000123 0.001317 0.003323 0.000139 32O 1dxy 0.000141 0.001233 -0.000887 -0.000591 0.000162 -0.000963 32O 2dz2 0.011240 -0.025038 0.000174 -0.047174 0.004174 -0.005133 32O 2dxz -0.049684 0.095156 -0.034990 0.006136 -0.019770 -0.001901 32O 2dyz -0.007475 0.014182 0.017146 0.023261 -0.022150 0.008442 32O 2dx2y2 0.020954 -0.026712 0.020584 0.028123 0.086893 0.022708 32O 2dxy -0.013170 0.016297 -0.014430 -0.048631 0.037161 0.007385 32O 1f0 -0.000204 0.001208 0.000016 0.000125 -0.001091 -0.000834 32O 1f+1 0.000333 -0.002229 0.000365 -0.001153 0.000468 -0.000054 32O 1f-1 -0.000230 0.000338 0.001167 0.000202 -0.001142 -0.000682 32O 1f+2 -0.000866 0.001000 -0.000251 0.000441 0.000604 0.000809 32O 1f-2 0.000745 0.001325 -0.001028 0.001131 -0.000758 0.000217 32O 1f+3 -0.000637 -0.000898 -0.000006 -0.001522 0.000138 -0.000058 32O 1f-3 0.000198 -0.000015 -0.000153 -0.000700 -0.000715 -0.001220 33O 1s 0.001880 -0.012606 -0.002599 -0.002077 -0.009536 0.003585 33O 2s 0.004298 -0.026985 -0.006274 -0.003064 -0.020796 0.006566 33O 3s -0.002174 -0.033848 0.000071 -0.030323 -0.014905 0.031673 33O 4s -0.093675 0.669077 0.107436 0.220492 0.552286 -0.193106 33O 5s 0.538505 -0.888145 0.102572 -0.699023 -2.319119 -0.085462 33O 1pz -0.005556 -0.047038 -0.050294 0.051654 0.006276 -0.026883 33O 1px -0.011376 0.030812 0.030665 -0.009923 0.024450 0.035087 33O 1py -0.010529 -0.017806 -0.023481 0.021670 0.015406 -0.011071 33O 2pz -0.016317 -0.067996 -0.074141 0.087877 -0.014656 -0.102432 33O 2px -0.029583 0.014117 0.030271 0.016945 0.102879 0.154032 33O 2py -0.048766 -0.042769 -0.048998 0.043900 0.025395 -0.017305 33O 3pz 0.511154 0.907198 0.941107 -0.448078 -0.430803 0.630156 33O 3px -0.423887 -0.316022 -0.366958 -0.042417 0.556094 -0.236431 33O 3py 0.385294 0.469434 0.387103 -0.141058 0.138308 0.300232 33O 1dz2 -0.001903 -0.002918 -0.003638 0.001760 0.004723 0.001754 33O 1dxz 0.002458 0.002175 0.004109 -0.002576 -0.005968 0.002984 33O 1dyz -0.000864 0.001193 0.000046 0.000965 0.000942 0.005723 33O 1dx2y2 -0.005326 0.000657 0.000193 -0.000279 0.004527 -0.000728 33O 1dxy -0.000268 0.001766 0.002205 -0.001514 0.001455 0.002769 33O 2dz2 -0.017999 -0.018405 -0.032766 0.014639 0.000915 -0.010974 33O 2dxz -0.027281 -0.014287 -0.033089 -0.004430 0.033781 0.018967 33O 2dyz -0.011445 -0.009295 -0.040849 0.019374 -0.022251 -0.044317 33O 2dx2y2 -0.020839 0.026941 0.004934 0.015275 0.016017 -0.003105 33O 2dxy -0.013937 -0.000933 -0.016035 -0.004743 0.032426 -0.006200 33O 1f0 -0.001059 -0.000355 -0.000892 -0.001079 0.000498 0.003303 33O 1f+1 0.000958 -0.000098 -0.002496 0.000599 0.001175 -0.002150 33O 1f-1 -0.001131 0.003273 -0.000417 0.001264 0.003768 0.001629 33O 1f+2 0.000715 -0.001046 0.002410 0.000414 -0.001887 -0.003735 33O 1f-2 -0.000138 0.000892 -0.000837 0.001309 0.000765 -0.001075 33O 1f+3 -0.001005 0.000613 -0.000018 0.002355 0.002301 -0.002950 33O 1f-3 -0.000096 0.000861 -0.000715 0.001635 0.000650 -0.000268 34O 1s -0.007297 -0.012235 0.004147 -0.000965 0.005067 -0.004060 34O 2s -0.015853 -0.027287 0.008779 -0.002147 0.010865 -0.007780 34O 3s -0.015176 -0.004883 0.012987 -0.006266 0.010315 -0.030653 34O 4s 0.344993 0.631710 -0.246049 0.034668 -0.345166 0.240767 34O 5s -0.296944 -2.364874 0.898990 0.239603 2.088098 -0.108179 34O 1pz 0.044631 0.015396 -0.007870 -0.015377 -0.035827 -0.030959 34O 1px 0.053538 0.002442 0.038303 -0.080460 0.018399 -0.003050 34O 1py -0.032054 -0.014076 -0.002346 0.028164 0.013686 -0.008276 34O 2pz 0.070332 0.055853 -0.043207 -0.017482 -0.112587 -0.106059 34O 2px 0.134866 -0.075210 0.052376 -0.068579 0.089730 0.061317 34O 2py -0.025193 -0.003547 0.034278 0.015167 0.063060 -0.039863 34O 3pz -0.046019 0.098219 0.302187 0.074178 0.078385 0.284789 34O 3px -0.466068 -0.732340 0.270256 0.593681 0.802094 0.100757 34O 3py 0.336488 -0.057627 -0.113872 -0.338156 -0.506025 0.114129 34O 1dz2 -0.000077 -0.005362 0.003140 0.001525 0.003109 0.002079 34O 1dxz -0.005622 -0.003131 0.000514 -0.000336 0.003247 0.001199 34O 1dyz 0.001837 -0.000901 0.000539 0.000221 -0.000677 0.004081 34O 1dx2y2 0.002517 0.003683 -0.003190 0.000490 -0.004783 0.002468 34O 1dxy -0.001268 -0.003782 -0.001623 0.005469 0.004880 0.004043 34O 2dz2 -0.021846 0.025595 0.006620 -0.012043 -0.033386 0.001881 34O 2dxz -0.013706 -0.023383 -0.002177 -0.006642 0.005435 0.010907 34O 2dyz -0.072273 0.000742 -0.005748 0.023643 -0.003201 0.011595 34O 2dx2y2 -0.010992 -0.023575 -0.010366 0.013539 0.015953 0.019214 34O 2dxy -0.011788 0.022531 -0.006440 0.018885 -0.020977 -0.016302 34O 1f0 0.000733 -0.002906 -0.000092 -0.000214 0.001752 0.001597 34O 1f+1 -0.000504 0.001039 0.001880 -0.000610 -0.000775 -0.001937 34O 1f-1 -0.000266 -0.000462 -0.000649 -0.000029 0.000146 0.000109 34O 1f+2 0.001216 -0.000554 0.000880 -0.000630 0.000084 -0.000713 34O 1f-2 -0.000846 -0.002793 -0.000079 0.000218 0.002225 0.002611 34O 1f+3 -0.002516 0.002806 0.000493 -0.000291 -0.001107 -0.003404 34O 1f-3 -0.000876 -0.001583 -0.002041 0.002336 0.000842 0.000469 35O 1s 0.001430 -0.006800 -0.012284 0.008165 -0.000639 -0.001441 35O 2s 0.003162 -0.015048 -0.025852 0.018160 -0.001606 -0.003638 35O 3s -0.000004 -0.005820 -0.040245 0.004805 -0.006725 0.009435 35O 4s -0.082706 0.358720 0.677787 -0.410214 -0.034492 0.068415 35O 5s 0.473195 -1.630728 -1.325193 1.115049 1.347723 -0.089337 35O 1pz -0.001328 0.026943 0.037038 -0.025250 -0.029407 0.029079 35O 1px 0.020692 -0.046703 0.017627 -0.030213 -0.022118 0.050023 35O 1py 0.052294 0.009945 0.049658 -0.031382 -0.059172 0.034874 35O 2pz -0.034559 0.122437 0.042934 -0.028959 -0.036539 -0.002955 35O 2px 0.061688 -0.128149 0.071203 0.011268 0.062524 0.041920 35O 2py 0.134565 0.023513 0.106881 -0.061218 -0.058497 0.019107 35O 3pz 0.071920 -0.322630 -0.277670 -0.004227 0.314972 0.036805 35O 3px -0.109433 -0.264763 -0.559350 0.115613 1.170950 -0.261694 35O 3py -0.493746 -0.158689 -0.460869 0.201002 0.545786 -0.037066 35O 1dz2 0.000241 -0.003420 -0.003550 -0.000629 0.003006 0.001255 35O 1dxz 0.000989 -0.001095 -0.001114 -0.002349 -0.004206 0.001676 35O 1dyz -0.002032 -0.000585 -0.002552 -0.000686 -0.003270 0.003200 35O 1dx2y2 0.001614 0.002855 0.005868 -0.002851 -0.005297 0.000490 35O 1dxy -0.001964 0.001567 0.000736 -0.000935 -0.002654 0.001281 35O 2dz2 -0.003627 0.007698 0.026871 -0.010316 -0.022381 0.045213 35O 2dxz -0.001971 -0.013716 -0.013433 -0.006561 0.024394 -0.022025 35O 2dyz 0.013125 -0.034331 0.054909 0.006195 -0.031100 0.050058 35O 2dx2y2 -0.004292 -0.030135 0.020079 -0.001123 0.034464 0.014726 35O 2dxy -0.000702 -0.040927 0.022190 0.021844 0.043196 0.001104 35O 1f0 0.000724 -0.000043 0.000024 -0.000754 -0.001203 0.000219 35O 1f+1 -0.000936 0.002844 -0.001680 -0.001595 -0.002751 0.002936 35O 1f-1 -0.001294 0.002896 -0.002046 -0.001238 -0.001313 0.000665 35O 1f+2 0.000295 -0.001200 -0.000204 0.001910 0.001194 -0.001571 35O 1f-2 -0.000478 0.001802 -0.000398 -0.000632 -0.000708 0.000233 35O 1f+3 0.001221 0.001775 -0.001290 -0.001653 -0.003206 -0.000059 35O 1f-3 -0.000392 0.002407 -0.002161 -0.001157 -0.002790 0.002847 270 271 272 273 274 275 1.00451 1.01178 1.02245 1.02658 1.03284 1.03891 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s -0.000941 -0.001000 -0.001958 -0.001236 -0.003484 -0.000494 0Rh 2s 0.004074 0.003469 0.005975 0.005583 0.008444 0.001909 0Rh 3s -0.002991 -0.003709 -0.007763 -0.003786 -0.015153 -0.001710 0Rh 4s -0.018961 -0.015834 -0.026747 -0.026083 -0.036174 -0.008785 0Rh 5s 0.019871 0.009506 0.005945 0.028851 -0.025517 0.006915 0Rh 6s 0.029598 0.054578 0.138993 0.034737 0.347246 0.025164 0Rh 7s 0.026915 0.024105 -0.716624 -0.118175 -1.759210 -0.175196 0Rh 8s -0.027863 0.099487 -0.010940 0.676099 -0.005887 0.154183 0Rh 1pz 0.005310 -0.007109 -0.008292 -0.001454 0.003507 0.007738 0Rh 1px -0.006635 -0.004641 -0.002958 -0.008389 0.001600 0.001644 0Rh 1py 0.002683 0.001870 0.008817 -0.013074 -0.003737 -0.010442 0Rh 2pz -0.018075 0.024675 0.027585 0.004891 -0.011663 -0.026343 0Rh 2px 0.022648 0.015858 0.009956 0.028651 -0.005289 -0.005670 0Rh 2py -0.009589 -0.006295 -0.029768 0.044371 0.012267 0.035708 0Rh 3pz 0.008002 -0.020744 0.000909 -0.001034 -0.001122 0.011490 0Rh 3px -0.011256 -0.007736 -0.001578 -0.014518 0.000045 0.003930 0Rh 3py 0.013595 0.001277 0.008159 -0.016341 0.004207 -0.018496 0Rh 4pz 0.065657 -0.048881 -0.151030 -0.021742 0.072000 0.096018 0Rh 4px -0.077544 -0.058391 -0.050611 -0.096247 0.020299 0.014874 0Rh 4py -0.003246 0.028954 0.125310 -0.175624 -0.084417 -0.120508 0Rh 5pz -0.090156 0.023943 0.217799 0.028653 -0.146422 -0.124791 0Rh 5px 0.105526 0.107736 0.095922 0.119125 0.031342 -0.014337 0Rh 5py 0.036821 -0.040085 -0.144202 0.250212 0.140811 0.160715 0Rh 6pz 0.275062 1.326347 -0.787501 -0.001978 1.234360 0.164950 0Rh 6px -0.359442 -0.831398 -0.800617 -0.219007 -1.097355 -0.142357 0Rh 6py -1.250537 0.073160 0.129853 -1.102419 -0.622504 -0.053659 0Rh 1dz2 -0.001497 -0.009566 0.005728 0.001106 0.030381 -0.002114 0Rh 1dxz -0.022191 0.031169 0.006648 -0.007763 0.010385 -0.001008 0Rh 1dyz 0.001842 -0.002262 -0.004389 0.006487 -0.002086 -0.014986 0Rh 1dx2y2 0.023316 0.037640 -0.024207 0.022597 -0.054126 -0.002290 0Rh 1dxy -0.028242 0.001539 0.023785 0.019984 -0.013956 0.013974 0Rh 2dz2 -0.000038 0.002351 -0.001064 0.000604 -0.005484 0.001298 0Rh 2dxz 0.004326 -0.006510 -0.000913 0.003060 0.000377 -0.001205 0Rh 2dyz -0.002183 0.001005 0.000805 0.001427 0.001276 0.001840 0Rh 2dx2y2 -0.005730 -0.007778 0.004612 -0.005372 0.009313 -0.001008 0Rh 2dxy 0.004872 -0.000366 -0.006760 -0.001836 0.001935 -0.002543 0Rh 3dz2 0.003288 0.009853 -0.007503 -0.005513 -0.040919 -0.000888 0Rh 3dxz 0.027956 -0.038106 -0.010198 0.003301 -0.023655 0.006893 0Rh 3dyz 0.005609 0.000374 0.005963 -0.020475 -0.000998 0.023961 0Rh 3dx2y2 -0.024362 -0.045908 0.031493 -0.024633 0.074920 0.009115 0Rh 3dxy 0.038850 -0.001672 -0.021476 -0.034284 0.021299 -0.018526 0Rh 4dz2 0.000023 0.045030 -0.020275 0.019165 -0.100290 0.016494 0Rh 4dxz 0.086385 -0.116650 -0.016630 0.052350 -0.000311 -0.010060 0Rh 4dyz -0.039511 0.018247 0.014214 0.030445 0.021298 0.035610 0Rh 4dx2y2 -0.108156 -0.148851 0.084913 -0.100891 0.172348 -0.012561 0Rh 4dxy 0.090416 -0.006848 -0.117640 -0.044410 0.037997 -0.053574 0Rh 5dz2 0.040611 -0.176598 0.032650 -0.238862 0.116958 -0.016662 0Rh 5dxz -0.272126 0.252509 -0.017728 -0.194917 -0.189207 0.002035 0Rh 5dyz 0.280015 -0.106184 -0.005990 -0.445175 -0.113731 0.036085 0Rh 5dx2y2 0.375815 0.441542 -0.134938 0.305687 -0.172970 0.099968 0Rh 5dxy -0.136814 0.021417 0.369372 0.001093 -0.008499 0.200131 0Rh 1f0 -0.002226 0.000365 0.011026 0.015358 0.017443 0.000148 0Rh 1f+1 -0.010104 -0.002356 0.005748 0.004634 0.004608 -0.013615 0Rh 1f-1 -0.006572 0.005974 0.006359 0.006197 -0.010333 0.012010 0Rh 1f+2 -0.003624 -0.022550 -0.001452 -0.011768 -0.008433 0.006061 0Rh 1f-2 -0.001936 -0.006841 -0.012754 0.010933 -0.004226 0.016023 0Rh 1f+3 -0.008339 -0.003414 0.009125 -0.021301 -0.016517 -0.013508 0Rh 1f-3 -0.007749 -0.013420 -0.020720 0.013524 -0.001672 0.008260 1Rh 1s 0.000917 0.000985 -0.001872 0.001238 -0.003557 0.000296 1Rh 2s -0.003993 -0.003456 0.005598 -0.005677 0.008730 -0.001357 1Rh 3s 0.002902 0.003631 -0.007491 0.003738 -0.015401 0.000893 1Rh 4s 0.018594 0.015795 -0.024990 0.026570 -0.037498 0.006352 1Rh 5s -0.019675 -0.009939 0.004118 -0.030333 -0.024391 -0.007221 1Rh 6s -0.028210 -0.052357 0.136120 -0.030742 0.350528 -0.008394 1Rh 7s -0.032908 -0.036857 -0.714873 0.100949 -1.769583 0.090066 1Rh 8s 0.024924 -0.095628 -0.032273 -0.677729 0.024002 -0.154649 1Rh 1pz 0.005582 -0.007280 0.008484 -0.001969 -0.003449 0.007666 1Rh 1px -0.006690 -0.004571 0.002477 -0.008560 -0.001389 0.001742 1Rh 1py 0.003292 0.001638 -0.009267 -0.011930 0.004419 -0.011203 1Rh 2pz -0.018978 0.025253 -0.028247 0.006611 0.011468 -0.026089 1Rh 2px 0.022829 0.015621 -0.008316 0.029223 0.004572 -0.005996 1Rh 2py -0.011627 -0.005509 0.031281 0.040527 -0.014588 0.038277 1Rh 3pz 0.007917 -0.020866 -0.000470 -0.001081 0.001209 0.011223 1Rh 3px -0.011216 -0.007709 0.000842 -0.014525 0.000219 0.003833 1Rh 3py 0.013747 0.000977 -0.008420 -0.015739 -0.003240 -0.019144 1Rh 4pz 0.070913 -0.051503 0.152932 -0.030891 -0.071363 0.095673 1Rh 4px -0.078592 -0.057221 0.044595 -0.099201 -0.017365 0.017439 1Rh 4py 0.007150 0.026000 -0.132497 -0.157375 0.093194 -0.131725 1Rh 5pz -0.098548 0.027808 -0.220514 0.042794 0.146171 -0.124401 1Rh 5px 0.106627 0.106040 -0.086931 0.122614 -0.036456 -0.021412 1Rh 5py 0.021115 -0.037121 0.155377 0.225358 -0.153256 0.175062 1Rh 6pz 0.296141 1.299308 0.786926 -0.076863 -1.257518 0.150263 1Rh 6px -0.363680 -0.830111 0.749859 -0.225120 1.138913 -0.069220 1Rh 6py -1.166709 0.079991 -0.225039 -1.026892 0.664168 -0.080140 1Rh 1dz2 0.000830 0.009517 0.004694 -0.000166 0.030158 0.002420 1Rh 1dxz 0.023883 -0.030850 0.008151 0.008189 0.010194 0.002984 1Rh 1dyz -0.003055 0.002120 -0.005178 -0.006120 -0.002293 0.015487 1Rh 1dx2y2 -0.023003 -0.038393 -0.026298 -0.022965 -0.053166 0.000505 1Rh 1dxy 0.028381 -0.001174 0.023515 -0.022247 -0.012773 -0.013168 1Rh 2dz2 0.000319 -0.002318 -0.000953 -0.000721 -0.005426 -0.001260 1Rh 2dxz -0.004753 0.006459 -0.001283 -0.003097 0.000483 0.000813 1Rh 2dyz 0.002591 -0.000956 0.000686 -0.001373 0.001361 -0.001911 1Rh 2dx2y2 0.005675 0.007921 0.005082 0.005388 0.009072 0.001289 1Rh 2dxy -0.004878 0.000248 -0.006889 0.002401 0.001772 0.002312 1Rh 3dz2 -0.003093 -0.009889 -0.005750 0.004019 -0.040714 0.000081 1Rh 3dxz -0.029707 0.037649 -0.011785 -0.004050 -0.023710 -0.009414 1Rh 3dyz -0.004826 -0.000284 0.008204 0.019449 -0.000939 -0.024717 1Rh 3dx2y2 0.023936 0.046893 0.033898 0.025342 0.073931 -0.006534 1Rh 3dxy -0.039136 0.001405 -0.020358 0.036661 0.019506 0.017806 1Rh 4dz2 0.004640 -0.044526 -0.018732 -0.021365 -0.098906 -0.016146 1Rh 4dxz -0.093813 0.115697 -0.023434 -0.053171 0.001500 0.002997 1Rh 4dyz 0.046907 -0.017437 0.011650 -0.029560 0.023022 -0.036941 1Rh 4dx2y2 0.107168 0.151472 0.093672 0.101316 0.167764 0.017883 1Rh 4dxy -0.090313 0.004821 -0.119384 0.054547 0.034402 0.049472 1Rh 5dz2 -0.059280 0.174333 0.046773 0.236081 0.107915 0.009013 1Rh 5dxz 0.291139 -0.251836 0.003995 0.193173 -0.197847 0.009176 1Rh 5dyz -0.314177 0.103814 0.037225 0.429217 -0.125319 -0.036806 1Rh 5dx2y2 -0.374981 -0.446172 -0.159730 -0.302232 -0.156059 -0.103000 1Rh 5dxy 0.130889 -0.014525 0.385625 -0.031185 -0.000057 -0.185616 1Rh 1f0 -0.001634 0.000171 -0.010537 0.015409 -0.018458 0.000193 1Rh 1f+1 -0.009681 -0.002207 -0.006190 0.004727 -0.004766 -0.012772 1Rh 1f-1 -0.007206 0.005984 -0.006727 0.006673 0.010042 0.012265 1Rh 1f+2 -0.003297 -0.022762 0.000709 -0.011271 0.009008 0.006551 1Rh 1f-2 -0.003353 -0.006697 0.012783 0.009570 0.003570 0.016629 1Rh 1f+3 -0.008193 -0.003517 -0.010723 -0.019869 0.017795 -0.013418 1Rh 1f-3 -0.007217 -0.012885 0.021430 0.012161 0.001200 0.009670 2C 1s -0.003612 0.002510 0.003425 0.002873 0.001180 -0.001533 2C 2s -0.004528 0.002571 0.007874 0.004473 0.005309 -0.003006 2C 3s -0.133274 0.088373 0.005596 0.078502 -0.103043 -0.025434 2C 4s 0.753392 -0.464058 -0.200077 -0.554180 0.381627 0.225765 2C 5s 0.727381 -0.993298 -1.936541 1.333428 -3.906528 -1.397257 2C 1pz 0.058046 -0.060499 -0.103540 -0.057279 -0.009092 -0.045031 2C 1px -0.002261 0.058249 -0.007047 -0.006977 -0.003542 0.017646 2C 1py 0.096350 -0.060263 0.076507 0.026109 -0.005754 0.067159 2C 2pz 0.664036 -0.431750 -0.451973 -0.514828 0.308840 0.018600 2C 2px 0.233037 0.229278 0.070993 -0.220163 0.055006 0.178949 2C 2py 0.560509 -0.570041 0.146798 -0.159495 0.297601 0.364696 2C 3pz 0.291785 -0.792736 -1.068029 -0.180316 -0.695911 -0.511715 2C 3px -0.283526 0.192471 -0.095743 0.722401 -0.404229 -0.010461 2C 3py 0.896418 -0.235767 0.457571 0.506711 -0.562857 0.003092 2C 1dz2 -0.000120 0.000899 0.003193 0.001608 -0.001197 0.006456 2C 1dxz 0.001346 -0.004321 0.006560 0.008602 -0.000744 0.000815 2C 1dyz -0.004540 0.004485 0.000587 0.002211 0.000864 -0.003318 2C 1dx2y2 0.000555 0.005076 0.006627 0.001820 0.000930 0.010181 2C 1dxy -0.004238 0.004843 -0.002566 0.002384 -0.001550 -0.002861 2C 2dz2 0.249095 -0.547556 -0.294375 -0.361838 0.297930 0.017199 2C 2dxz 0.088131 -0.630142 -0.000213 0.142921 0.172190 0.017029 2C 2dyz 0.781308 -0.140951 0.139266 -0.258453 0.267133 0.338592 2C 2dx2y2 -0.323226 0.250269 0.238035 0.224513 -0.043091 0.162809 2C 2dxy -0.158334 0.169936 -0.570260 -0.192205 -0.004515 -0.271267 2C 1f0 0.000919 -0.004374 0.018242 0.008860 0.004745 0.011128 2C 1f+1 0.005141 0.009600 -0.013672 -0.014822 0.002472 -0.002140 2C 1f-1 0.022107 -0.020985 -0.016095 -0.013348 0.012431 -0.001833 2C 1f+2 -0.006885 -0.016119 -0.007721 0.000939 -0.001348 -0.010464 2C 1f-2 -0.000678 -0.009762 0.005734 0.001157 0.000239 0.001888 2C 1f+3 0.024034 -0.025694 0.009639 -0.004109 0.011236 0.014094 2C 1f-3 0.007145 0.016341 0.003239 -0.004816 0.001766 0.009746 3C 1s 0.002235 0.002333 0.000452 -0.000712 0.003035 -0.003239 3C 2s 0.002739 0.002610 0.000202 -0.000024 0.009503 -0.002866 3C 3s 0.060822 0.099953 -0.006810 -0.060495 -0.068131 -0.160993 3C 4s -0.301609 -0.571048 0.010134 0.299976 0.104816 0.976483 3C 5s -1.234886 -0.619730 -0.673786 0.113986 -4.289729 -1.635640 3C 1pz -0.060862 -0.065509 -0.019881 0.041629 -0.041549 0.087282 3C 1px 0.026225 -0.016365 -0.001645 0.032176 -0.069761 0.020570 3C 1py 0.056181 0.055384 0.015896 0.014017 -0.001335 -0.014970 3C 2pz -0.440128 -0.259471 -0.315908 0.063666 0.188809 0.932512 3C 2px 0.030394 -0.052727 0.232131 0.368406 -0.352812 0.246456 3C 2py 0.377637 0.570604 -0.050097 -0.127590 -0.243171 -0.493756 3C 3pz -0.380982 -0.818281 -0.017173 0.400409 -0.505753 0.101340 3C 3px 0.365450 -0.193214 0.091738 -0.055572 -1.004806 0.166044 3C 3py 0.802411 0.197688 0.340714 0.127422 0.738307 0.151541 3C 1dz2 -0.003030 -0.002003 -0.003549 -0.002935 0.002314 0.007609 3C 1dxz -0.001914 -0.001539 -0.000673 -0.006713 0.005027 0.000576 3C 1dyz -0.003714 -0.004957 -0.001234 0.002701 -0.002272 0.008090 3C 1dx2y2 0.004820 0.002162 0.003627 -0.003700 -0.001054 -0.000329 3C 1dxy -0.003391 -0.001590 -0.004873 0.001756 0.005941 -0.002430 3C 2dz2 0.107062 -0.197021 0.131087 0.283827 -0.277743 -0.049055 3C 2dxz -0.402254 -0.427890 -0.178518 -0.185101 0.587250 -0.009128 3C 2dyz 0.034117 0.455764 -0.403672 -0.388878 0.161813 0.122588 3C 2dx2y2 0.505774 0.111998 0.290837 -0.053669 -0.178939 -0.965115 3C 2dxy 0.218757 0.256576 0.249273 0.036540 -0.109977 -0.705392 3C 1f0 0.022855 0.012901 0.014162 -0.002850 -0.003811 -0.053010 3C 1f+1 0.016599 0.004485 0.016453 0.012944 -0.020101 -0.018728 3C 1f-1 0.002176 0.015072 -0.009467 -0.005178 -0.005351 0.018560 3C 1f+2 0.000047 0.004604 0.000012 0.004107 -0.003828 -0.005879 3C 1f-2 -0.004781 0.003099 -0.008575 -0.012538 0.010997 0.003301 3C 1f+3 -0.011901 -0.014701 0.004356 -0.001961 0.016028 -0.008507 3C 1f-3 -0.009562 -0.000019 -0.011834 -0.007909 0.014652 -0.002202 4C 1s 0.005747 -0.012207 -0.006907 0.008109 -0.002404 -0.006820 4C 2s 0.008328 -0.027746 -0.016840 0.025432 -0.010736 -0.018982 4C 3s 0.373348 -0.152472 -0.020873 -0.397282 0.255640 0.201867 4C 4s -2.880284 2.177028 0.417662 1.741412 -1.585702 -0.563479 4C 5s -2.222363 3.871130 1.408864 -1.604769 2.150974 1.735135 4C 1pz 0.029920 0.006527 -0.010202 -0.049084 0.026405 0.025541 4C 1px 0.086545 0.033332 0.026612 -0.130401 -0.015459 0.070915 4C 1py 0.024680 -0.035793 0.001883 -0.083103 0.029363 0.042768 4C 2pz 0.538297 -0.328389 -0.149033 -0.216099 0.317026 0.249440 4C 2px 0.191152 -0.003782 0.075957 -0.311749 -0.031867 0.081358 4C 2py 0.350866 -0.215592 -0.134884 -0.268456 0.176166 0.078699 4C 3pz 0.016727 0.791267 -0.582767 1.022480 -2.968898 -0.695461 4C 3px 0.565319 -0.072633 -0.203324 -1.171965 -0.412026 -0.134932 4C 3py -0.776459 -0.024860 -1.340681 -0.041160 -1.811216 -0.355610 4C 1dz2 0.018989 -0.001359 0.005846 -0.004310 0.004672 0.002364 4C 1dxz 0.009359 -0.006662 -0.004711 -0.003374 0.007691 -0.004135 4C 1dyz 0.002015 -0.008610 -0.006049 -0.002344 0.005534 -0.000696 4C 1dx2y2 -0.008627 0.010658 0.001183 0.009281 -0.009153 -0.005334 4C 1dxy -0.000713 0.003549 0.002146 0.010056 -0.004520 -0.001440 4C 2dz2 -0.257488 -0.002629 -0.061026 0.192313 -0.097355 -0.241904 4C 2dxz -0.126158 -0.091818 -0.266093 -0.174728 -0.073111 -0.194314 4C 2dyz -0.289715 0.263542 0.150693 0.133969 -0.138321 -0.034189 4C 2dx2y2 -0.215395 0.040292 -0.279403 -0.283748 0.194184 -0.183414 4C 2dxy 0.052035 0.204299 0.417119 0.063552 -0.062158 0.210047 4C 1f0 0.009796 -0.007482 -0.006108 -0.008331 0.002523 0.003504 4C 1f+1 0.025256 -0.009285 -0.004690 -0.014214 0.006045 0.011302 4C 1f-1 0.021574 -0.014884 -0.007766 -0.017788 0.021830 0.010210 4C 1f+2 -0.023111 0.020663 0.005003 0.023904 -0.010753 -0.006665 4C 1f-2 0.012483 -0.000685 0.005351 -0.010632 0.005676 0.009476 4C 1f+3 0.005675 0.004573 0.004748 0.007322 0.002715 0.006124 4C 1f-3 0.014962 -0.011895 -0.004659 -0.004182 0.003965 0.003754 5C 1s -0.012242 -0.006296 -0.004760 -0.002680 -0.003385 -0.000853 5C 2s -0.028761 -0.011269 -0.013132 -0.009082 -0.011292 -0.008711 5C 3s -0.096408 -0.248058 0.062529 0.160072 0.152601 0.472749 5C 4s 1.743301 2.208590 0.029751 -0.763942 -1.018497 -3.027261 5C 5s 3.549974 2.236316 0.839749 0.495308 2.346589 -0.591121 5C 1pz -0.004549 0.005148 -0.029248 -0.027727 0.030786 0.117870 5C 1px -0.026225 0.014701 -0.020338 0.135102 -0.032216 -0.003642 5C 1py -0.025475 0.042013 -0.030575 -0.028945 -0.021093 -0.074588 5C 2pz -0.131768 -0.180997 0.041040 0.032648 0.122261 0.303733 5C 2px -0.218645 -0.051479 -0.216436 -0.019415 -0.011473 0.173298 5C 2py 0.264381 0.349810 -0.000021 -0.162985 -0.122184 -0.447502 5C 3pz 0.175687 0.891121 -0.354139 -0.161538 -1.833513 -0.599023 5C 3px -0.686812 -0.122514 -1.122090 0.073803 -0.429989 -0.562204 5C 3py -0.675019 0.325640 0.160058 -0.335872 3.267402 1.249734 5C 1dz2 -0.004991 0.007347 -0.003041 -0.000197 0.005136 0.010738 5C 1dxz -0.003568 -0.005459 -0.002586 -0.000859 0.006209 0.015960 5C 1dyz 0.005192 -0.002111 -0.002467 -0.000522 0.002669 0.002838 5C 1dx2y2 0.006437 0.016819 -0.003708 -0.010265 -0.003605 -0.014570 5C 1dxy 0.005444 0.005371 -0.000509 0.004497 -0.008907 -0.008607 5C 2dz2 -0.177979 -0.184375 0.091828 0.137805 -0.067646 -0.147273 5C 2dxz 0.023756 -0.148526 -0.073429 0.146724 -0.303702 -0.039125 5C 2dyz -0.272915 -0.120643 -0.084416 -0.057875 0.041667 0.358952 5C 2dx2y2 0.051354 -0.121493 0.130342 0.281076 0.003067 0.045248 5C 2dxy 0.092222 -0.167770 0.020966 0.105469 -0.052777 0.307499 5C 1f0 -0.004476 0.003363 -0.002219 -0.008596 -0.008326 -0.010041 5C 1f+1 -0.002947 -0.007959 0.000356 0.000730 -0.001764 0.016417 5C 1f-1 0.003184 0.000712 0.003171 0.004811 -0.005828 -0.010506 5C 1f+2 0.014665 0.009578 0.003873 0.003089 -0.017757 -0.022907 5C 1f-2 0.014930 0.013927 0.003197 -0.007302 -0.001702 -0.027898 5C 1f+3 -0.006415 -0.014872 0.006517 0.014549 0.000379 0.023512 5C 1f-3 0.016815 0.019462 0.001373 -0.001515 -0.007366 -0.016991 6C 1s 0.011761 0.006247 -0.004143 0.002693 -0.003381 0.000615 6C 2s 0.027870 0.011119 -0.011383 0.009111 -0.011416 0.007968 6C 3s 0.081040 0.249982 0.046501 -0.159577 0.161144 -0.466341 6C 4s -1.654863 -2.221163 0.068571 0.734188 -1.071775 2.993164 6C 5s -3.426688 -2.224144 0.689132 -0.429639 2.336703 0.676293 6C 1pz -0.005204 0.004394 0.024970 -0.031440 -0.030695 0.116799 6C 1px -0.027032 0.014870 0.034103 0.133245 0.028742 -0.004640 6C 1py -0.027254 0.041831 0.027072 -0.030395 0.022945 -0.074312 6C 2pz -0.112154 -0.183006 -0.038986 0.032821 -0.122090 0.299237 6C 2px -0.215125 -0.048551 0.226673 -0.034261 0.007380 0.172685 6C 2py 0.237729 0.352936 -0.012980 -0.160237 0.129390 -0.439621 6C 3pz 0.246532 0.914919 0.311177 -0.117992 1.833377 -0.544219 6C 3px -0.694819 -0.106568 1.151201 0.000995 0.440623 -0.491150 6C 3py -0.748855 0.291709 -0.183537 -0.447227 -3.259361 1.162868 6C 1dz2 0.004993 -0.007366 -0.002845 0.000755 0.005149 -0.010591 6C 1dxz 0.003290 0.005585 -0.002196 0.001161 0.006433 -0.015729 6C 1dyz -0.004379 0.002144 -0.002493 0.000957 0.002693 -0.002970 6C 1dx2y2 -0.005718 -0.016848 -0.002893 0.010412 -0.004061 0.014122 6C 1dxy -0.005051 -0.005388 -0.000961 -0.004765 -0.008828 0.008601 6C 2dz2 0.168238 0.182886 0.084575 -0.148630 -0.061514 0.140804 6C 2dxz -0.009370 0.151638 -0.080035 -0.154454 -0.292434 0.038299 6C 2dyz 0.242347 0.118854 -0.080880 0.060086 0.041101 -0.358220 6C 2dx2y2 -0.056242 0.122560 0.105340 -0.290458 0.015503 -0.035805 6C 2dxy -0.101231 0.172284 0.022191 -0.111799 -0.043861 -0.302417 6C 1f0 -0.004634 0.003518 0.001716 -0.008362 0.008669 -0.009524 6C 1f+1 -0.002374 -0.008074 -0.000511 0.000982 0.001679 0.016432 6C 1f-1 0.003346 0.000813 -0.002607 0.005293 0.005600 -0.010477 6C 1f+2 0.014211 0.009644 -0.003725 0.003987 0.017745 -0.022734 6C 1f-2 0.013966 0.013965 -0.004002 -0.007168 0.002217 -0.027641 6C 1f+3 -0.005083 -0.014946 -0.005363 0.015052 -0.001055 0.023159 6C 1f-3 0.015699 0.019470 -0.001485 -0.001458 0.007606 -0.017441 7C 1s -0.005467 0.012147 -0.007841 -0.007671 -0.002197 0.006511 7C 2s -0.007955 0.027517 -0.019226 -0.024634 -0.009927 0.018134 7C 3s -0.357012 0.156947 -0.012065 0.413874 0.234024 -0.197172 7C 4s 2.799750 -2.194943 0.456874 -1.861149 -1.463943 0.546792 7C 5s 2.136260 -3.849897 1.655260 1.583158 2.119506 -1.594164 7C 1pz 0.030255 0.005832 0.010916 -0.050211 -0.022210 0.025816 7C 1px 0.081794 0.032612 -0.036393 -0.129274 0.018043 0.068407 7C 1py 0.024426 -0.034853 -0.007292 -0.084297 -0.026245 0.044106 7C 2pz 0.517363 -0.327036 0.156344 -0.242948 -0.294770 0.260183 7C 2px 0.178812 -0.008728 -0.086453 -0.306813 0.039068 0.073762 7C 2py 0.333280 -0.218153 0.132289 -0.291215 -0.160527 0.083569 7C 3pz -0.044467 0.806335 0.644783 1.118514 2.909273 -0.540985 7C 3px 0.595703 -0.092841 0.120688 -1.138434 0.442622 -0.135710 7C 3py -0.824911 -0.018965 1.304833 -0.052706 1.797076 -0.254302 7C 1dz2 -0.018246 0.001388 0.005410 0.004277 0.004321 -0.002124 7C 1dxz -0.009396 0.006734 -0.005319 0.003804 0.007154 0.004097 7C 1dyz -0.001062 0.008641 -0.005937 0.003258 0.005400 0.000620 7C 1dx2y2 0.008355 -0.010780 0.001108 -0.009837 -0.008679 0.005165 7C 1dxy 0.000353 -0.003508 0.001457 -0.010463 -0.004095 0.001349 7C 2dz2 0.243545 0.001604 -0.061390 -0.190802 -0.087365 0.241174 7C 2dxz 0.134953 0.092047 -0.250598 0.194213 -0.077801 0.193194 7C 2dyz 0.266303 -0.265225 0.153348 -0.156798 -0.129932 0.043709 7C 2dx2y2 0.228662 -0.042446 -0.254629 0.314634 0.178672 0.184373 7C 2dxy -0.067935 -0.201842 0.419487 -0.095390 -0.047047 -0.202762 7C 1f0 0.009620 -0.007661 0.006217 -0.008628 -0.001815 0.003335 7C 1f+1 0.023399 -0.009516 0.004982 -0.015329 -0.005123 0.011105 7C 1f-1 0.021028 -0.014980 0.007715 -0.019254 -0.020445 0.010099 7C 1f+2 -0.022634 0.020992 -0.004449 0.024922 0.009657 -0.006693 7C 1f-2 0.011533 -0.000719 -0.005601 -0.010897 -0.005273 0.009190 7C 1f+3 0.005433 0.004718 -0.004164 0.007311 -0.002976 0.006107 7C 1f-3 0.014338 -0.012006 0.005024 -0.005002 -0.003550 0.004014 8C 1s -0.001769 -0.002310 0.000526 0.000879 0.002959 0.003377 8C 2s -0.001606 -0.002537 0.000309 0.000596 0.009417 0.003277 8C 3s -0.057309 -0.100406 -0.003760 0.058159 -0.071143 0.156654 8C 4s 0.260623 0.570795 -0.008345 -0.297809 0.122678 -0.963462 8C 5s 1.041854 0.577503 -0.632738 -0.261516 -4.284424 1.493007 8C 1pz -0.062962 -0.066150 0.019288 0.041556 0.039433 0.087861 8C 1px 0.025930 -0.016111 0.004331 0.034112 0.067218 0.018531 8C 1py 0.048024 0.054780 -0.016361 0.013656 0.000840 -0.017511 8C 2pz -0.442849 -0.263075 0.298563 0.033012 -0.196213 0.927949 8C 2px 0.049810 -0.054945 -0.203610 0.395722 0.336689 0.226309 8C 2py 0.325130 0.570345 0.031617 -0.129922 0.252740 -0.492940 8C 3pz -0.375319 -0.819974 0.040288 0.421793 0.494719 0.114196 8C 3px 0.384399 -0.189672 -0.113715 -0.007777 0.992356 0.158195 8C 3py 0.730671 0.184598 -0.315769 0.114230 -0.739794 0.109453 8C 1dz2 0.003229 0.002030 -0.003384 0.003394 0.002225 -0.007630 8C 1dxz 0.001656 0.001507 -0.000102 0.006819 0.004730 -0.000609 8C 1dyz 0.003896 0.005017 -0.001090 -0.002644 -0.001975 -0.008057 8C 1dx2y2 -0.005273 -0.002194 0.003625 0.003278 -0.001280 0.000364 8C 1dxy 0.003316 0.001516 -0.005228 -0.001258 0.005861 0.002176 8C 2dz2 -0.079460 0.202073 0.110586 -0.295464 -0.259145 0.053523 8C 2dxz 0.387825 0.425717 -0.164798 0.211833 0.578303 -0.000987 8C 2dyz 0.014540 -0.455069 -0.355046 0.431413 0.149217 -0.129781 8C 2dx2y2 -0.513003 -0.118710 0.274482 0.019231 -0.187098 0.952308 8C 2dxy -0.230075 -0.260317 0.235814 -0.060240 -0.120037 0.705587 8C 1f0 0.023318 0.013364 -0.013465 -0.001320 0.004610 -0.052620 8C 1f+1 0.016884 0.004403 -0.014723 0.014850 0.019489 -0.018582 8C 1f-1 0.000703 0.014956 0.008477 -0.006076 0.005440 0.018457 8C 1f+2 -0.000465 0.004670 0.000600 0.004102 0.003760 -0.005680 8C 1f-2 -0.005614 0.002914 0.007220 -0.013470 -0.010578 0.003526 8C 1f+3 -0.009756 -0.014576 -0.003847 -0.001498 -0.015513 -0.008140 8C 1f-3 -0.010922 -0.000208 0.010851 -0.009399 -0.014482 -0.001667 9C 1s 0.003204 -0.002520 0.003394 -0.003144 0.001335 0.001755 9C 2s 0.003500 -0.002591 0.007726 -0.005016 0.005492 0.003546 9C 3s 0.129864 -0.089168 0.008362 -0.083690 -0.096680 0.025230 9C 4s -0.713518 0.469194 -0.210044 0.589462 0.341802 -0.240345 9C 5s -0.577142 0.970061 -2.039152 -1.358538 -3.833231 1.179311 9C 1pz 0.052176 -0.061293 0.104061 -0.065331 0.013999 -0.042911 9C 1px -0.009790 0.057712 0.008452 -0.010617 0.002562 0.016013 9C 1py 0.097466 -0.059917 -0.072364 0.031833 0.003264 0.069678 9C 2pz 0.627017 -0.437757 0.461321 -0.562645 -0.267061 0.021535 9C 2px 0.184344 0.232703 -0.072903 -0.237142 -0.046575 0.178053 9C 2py 0.552669 -0.566094 -0.141613 -0.166206 -0.291815 0.377763 9C 3pz 0.236499 -0.788634 1.071662 -0.232795 0.705301 -0.456214 9C 3px -0.337834 0.195161 0.167615 0.705716 0.370816 0.004677 9C 3py 0.888245 -0.235629 -0.388253 0.568536 0.548440 0.034529 9C 1dz2 -0.000299 -0.000853 0.003205 -0.002083 -0.000945 -0.006339 9C 1dxz -0.001466 0.004261 0.005732 -0.009023 -0.000452 -0.000950 9C 1dyz 0.004784 -0.004456 0.000847 -0.002160 0.001039 0.003365 9C 1dx2y2 -0.000424 -0.004982 0.006725 -0.002184 0.001220 -0.010266 9C 1dxy 0.004589 -0.004943 -0.002621 -0.002166 -0.001599 0.002815 9C 2dz2 -0.225557 0.538773 -0.277865 0.402369 0.275660 -0.022896 9C 2dxz -0.125434 0.632686 -0.011781 -0.149540 0.178216 -0.018847 9C 2dyz -0.744390 0.154611 0.123543 0.271579 0.252847 -0.340875 9C 2dx2y2 0.342227 -0.245078 0.257562 -0.236213 -0.015846 -0.172531 9C 2dxy 0.178738 -0.169255 -0.562724 0.229019 -0.024542 0.272315 9C 1f0 -0.000007 -0.004269 -0.018500 0.009621 -0.005786 0.011593 9C 1f+1 0.003306 0.009702 0.012564 -0.016146 -0.001572 -0.002013 9C 1f-1 0.021295 -0.021035 0.016674 -0.015239 -0.011159 -0.001685 9C 1f+2 -0.004822 -0.015667 0.007565 0.000785 0.001377 -0.010259 9C 1f-2 0.000208 -0.010001 -0.005822 0.001689 -0.000650 0.002060 9C 1f+3 0.023914 -0.025923 -0.009560 -0.003662 -0.011208 0.014186 9C 1f-3 0.005906 0.015352 -0.003351 -0.005654 -0.002039 0.010062 10H 1s -0.019178 0.046284 0.015058 -0.000502 -0.005622 0.018227 10H 2s 0.112313 -0.815852 -0.403522 -0.101353 0.180779 -0.292374 10H 3s 0.130804 0.013588 0.124926 -0.392742 0.377411 0.069199 10H 1pz 0.003507 -0.038767 -0.011016 0.002020 0.007910 -0.006739 10H 1px -0.005197 0.047891 0.032256 0.005484 -0.012616 0.017180 10H 1py -0.011324 -0.012111 -0.025076 -0.007955 0.001729 -0.010179 11H 1s 0.003977 -0.013235 0.035614 0.020897 -0.005841 0.009571 11H 2s 0.138206 0.670261 -0.471205 -0.499540 -0.033110 -0.146673 11H 3s -0.263958 -0.277892 -0.150721 0.030377 0.140937 -0.010012 11H 1pz 0.018385 0.045757 -0.000508 -0.017268 0.005359 0.015534 11H 1px 0.013059 0.017291 -0.029069 -0.036676 -0.004297 -0.006886 11H 1py -0.005401 -0.018819 0.016453 0.004184 0.008615 0.007884 12H 1s -0.028868 0.014252 -0.034674 -0.008772 -0.008861 -0.032848 12H 2s 0.439624 -0.344395 0.803268 0.133018 0.255610 0.657283 12H 3s 0.153029 0.170204 0.321063 0.172561 0.044808 0.049602 12H 1pz -0.012647 0.006267 -0.015606 -0.009785 0.007726 -0.007850 12H 1px 0.031919 -0.024914 0.026361 -0.006185 0.006535 0.013959 12H 1py 0.017812 -0.029471 0.033826 0.000655 0.023320 0.040086 13H 1s 0.035760 0.022452 0.011105 0.012457 -0.026827 -0.033406 13H 2s -0.737959 -0.350280 -0.699493 -0.423789 0.954734 0.784778 13H 3s -0.003569 -0.078799 0.250505 0.193638 0.291284 -0.017594 13H 1pz -0.040026 -0.006083 -0.040963 -0.031304 0.062431 0.032875 13H 1px 0.036396 0.019156 0.034743 0.017642 -0.042066 -0.041452 13H 1py 0.020539 0.014573 0.030636 0.025439 -0.031108 -0.045354 14H 1s 0.009096 0.009057 0.007680 -0.023366 0.020457 -0.033691 14H 2s 0.048739 0.103096 -0.033711 0.402463 -0.568888 0.933091 14H 3s 0.202420 -0.290633 0.029314 -0.020048 0.110080 0.122315 14H 1pz 0.003910 0.028541 -0.008509 0.004891 -0.014313 0.034905 14H 1px -0.010264 0.005667 -0.002635 0.027515 -0.029246 0.069031 14H 1py 0.001541 -0.009135 -0.001537 0.001369 -0.015607 -0.002775 15H 1s -0.000104 -0.006978 -0.009203 0.002618 -0.012259 0.033203 15H 2s 0.282192 -0.267523 0.553248 0.121823 -0.035184 -0.970995 15H 3s -0.146172 0.209997 -0.250024 -0.238754 0.177610 0.436542 15H 1pz -0.002401 0.017830 -0.021949 -0.001606 0.011765 0.039460 15H 1px -0.011269 -0.005791 0.003895 0.004147 0.011460 -0.018373 15H 1py -0.022484 0.016241 -0.048039 -0.028364 0.006890 0.070629 16H 1s 0.007277 0.004714 -0.002709 -0.013415 0.002306 0.012038 16H 2s 0.014849 -0.114870 -0.048797 0.121122 -0.264504 -0.045831 16H 3s 0.106760 -0.037352 0.039978 -0.032003 0.212172 -0.026325 16H 1pz -0.025377 -0.005987 0.023271 0.000853 0.012439 -0.033069 16H 1px 0.008976 0.021466 -0.005642 -0.064850 -0.001700 0.032333 16H 1py 0.032052 -0.005090 -0.052576 0.036366 -0.058722 0.038901 17H 1s -0.002497 -0.008829 0.007081 0.018481 0.006198 -0.007174 17H 2s 0.079918 -0.012121 -0.171249 0.041483 -0.272852 0.071438 17H 3s 0.102058 0.167947 -0.015617 -0.069484 0.085245 -0.030801 17H 1pz 0.026098 -0.005789 -0.040706 0.044720 0.000957 0.025693 17H 1px -0.014195 -0.007309 0.037206 0.030931 -0.012372 -0.059144 17H 1py 0.021361 -0.006086 -0.029937 0.045203 -0.047441 -0.014515 18H 1s 0.002206 0.009498 0.005719 -0.018025 0.006631 0.007336 18H 2s -0.078165 0.013843 -0.168504 -0.038723 -0.273489 -0.083227 18H 3s -0.094000 -0.168518 -0.012923 0.075325 0.083914 0.039203 18H 1pz 0.025586 -0.004880 0.044020 0.039741 -0.002986 0.028472 18H 1px -0.012762 -0.008081 -0.035808 0.033925 0.010951 -0.059243 18H 1py 0.023430 -0.005724 0.033799 0.046361 0.046161 -0.010189 19H 1s -0.007086 -0.004315 -0.000984 0.013726 0.001774 -0.011912 19H 2s -0.020060 0.113509 -0.055156 -0.128727 -0.262880 0.030069 19H 3s -0.114570 0.037625 0.029793 0.038455 0.209530 0.029246 19H 1pz -0.024838 -0.006123 -0.024209 0.001863 -0.013983 -0.034392 19H 1px 0.008498 0.020199 -0.000319 -0.064786 0.003943 0.029623 19H 1py 0.030265 -0.003741 0.054871 0.033164 0.057979 0.041741 20H 1s 0.002688 0.007294 -0.007788 -0.001742 -0.011824 -0.032785 20H 2s -0.344266 0.260028 0.499878 -0.174986 -0.036785 0.966572 20H 3s 0.160343 -0.211076 -0.218393 0.270181 0.173511 -0.435520 20H 1pz -0.006019 0.017383 0.020225 -0.004291 -0.011998 0.038853 20H 1px -0.010293 -0.005739 -0.003164 0.004459 -0.011143 -0.018227 20H 1py -0.025670 0.015962 0.043115 -0.032818 -0.006086 0.070492 21H 1s -0.010224 -0.009290 0.008436 0.023072 0.019059 0.032560 21H 2s -0.015451 -0.095279 -0.044423 -0.404098 -0.543377 -0.902689 21H 3s -0.187939 0.294537 0.029336 0.020165 0.112874 -0.113512 21H 1pz 0.003228 0.028444 0.008208 0.004344 0.013747 0.034133 21H 1px -0.011613 0.004870 0.003419 0.027354 0.027669 0.067050 21H 1py 0.001306 -0.009168 0.001384 0.002126 0.015455 -0.002573 22H 1s -0.035795 -0.022773 0.008886 -0.014074 -0.026465 0.033878 22H 2s 0.764734 0.354386 -0.645055 0.507821 0.940545 -0.804657 22H 3s 0.009532 0.080483 0.225029 -0.195964 0.294787 0.028687 22H 1pz -0.040619 -0.006239 0.037585 -0.036040 -0.060848 0.033779 22H 1px 0.037930 0.019276 -0.032308 0.021761 0.042051 -0.042333 22H 1py 0.022636 0.014888 -0.027937 0.028907 0.030703 -0.045747 23H 1s 0.028813 -0.013841 -0.034055 0.010795 -0.010269 0.033133 23H 2s -0.431348 0.339873 0.799802 -0.166816 0.281951 -0.667556 23H 3s -0.170193 -0.163452 0.289140 -0.194628 0.043548 -0.034868 23H 1pz -0.012682 0.006833 0.014552 -0.011004 -0.007180 -0.008306 23H 1px 0.031855 -0.024018 -0.026217 -0.004740 -0.006366 0.014127 23H 1py 0.016678 -0.029021 -0.035051 0.000921 -0.024827 0.040849 24H 1s -0.006336 0.012784 0.034586 -0.024602 -0.004351 -0.010437 24H 2s -0.069944 -0.660817 -0.470065 0.554221 -0.069193 0.160395 24H 3s 0.257818 0.274610 -0.150584 -0.014497 0.143485 0.009930 24H 1pz 0.015895 0.045169 0.000663 -0.018278 -0.004034 0.014152 24H 1px 0.010215 0.017217 0.028573 -0.039645 0.006744 -0.007339 24H 1py -0.002212 -0.018529 -0.016903 0.005406 -0.008964 0.007644 25H 1s 0.021201 -0.045875 0.016385 0.000153 -0.004437 -0.017600 25H 2s -0.187163 0.815705 -0.405681 0.103758 0.159232 0.295057 25H 3s -0.130906 -0.012172 0.151017 0.401484 0.358738 -0.057842 25H 1pz 0.007656 -0.038871 0.011735 0.002582 -0.007440 -0.006692 25H 1px -0.009333 0.047690 -0.032414 0.006339 0.011412 0.017576 25H 1py -0.010107 -0.011544 0.023861 -0.008953 -0.000695 -0.010123 26O 1s 0.002026 -0.001999 0.003808 0.003506 0.010746 -0.003513 26O 2s 0.005503 -0.004952 0.007646 0.004386 0.020969 -0.007359 26O 3s -0.022226 0.012199 0.021498 0.070615 0.064747 -0.014933 26O 4s -0.064434 0.098238 -0.240995 -0.510117 -0.883089 0.218363 26O 5s 0.847949 -1.356617 0.130461 1.573969 2.387009 -0.537253 26O 1pz 0.022106 0.038641 0.024040 0.009172 -0.017111 0.034373 26O 1px 0.045739 0.015792 0.050577 -0.021464 -0.004685 0.026169 26O 1py -0.005075 -0.005455 -0.031114 -0.027597 -0.004690 -0.004778 26O 2pz 0.080799 0.006097 0.036715 -0.023178 -0.113282 0.055091 26O 2px 0.024273 0.061953 0.141693 -0.005521 -0.061091 0.021435 26O 2py -0.056468 -0.033210 -0.115363 -0.087885 -0.088764 -0.048273 26O 3pz -0.335480 0.314429 0.141256 0.128376 0.932714 0.081878 26O 3px -0.754962 1.049760 -0.096586 -0.198561 -0.262598 0.215372 26O 3py -0.221335 0.712101 0.109820 0.012168 0.616850 0.039781 26O 1dz2 0.001805 -0.004324 0.001741 0.001991 0.000834 0.000309 26O 1dxz 0.000441 0.000033 0.004103 -0.000356 0.001150 0.003708 26O 1dyz -0.000886 0.000660 0.003535 -0.003879 -0.000962 0.000640 26O 1dx2y2 0.001404 0.004481 0.005596 0.002254 -0.003175 0.006808 26O 1dxy -0.005040 0.002794 -0.005025 -0.007359 0.000006 -0.002220 26O 2dz2 -0.032251 -0.017053 0.006339 0.003512 0.003244 -0.047249 26O 2dxz 0.002790 0.001197 0.007613 0.012951 -0.008654 0.009938 26O 2dyz 0.025932 0.003009 -0.016068 -0.032675 -0.031129 0.028135 26O 2dx2y2 0.029671 -0.024692 0.005322 -0.038917 0.010048 0.025990 26O 2dxy 0.017351 -0.021470 -0.029182 -0.065848 0.012253 0.002850 26O 1f0 -0.001410 -0.000457 0.001092 -0.000691 -0.000397 0.000087 26O 1f+1 0.004205 -0.000888 0.000050 -0.004883 0.001066 0.003006 26O 1f-1 0.001729 0.000870 -0.000204 -0.000882 -0.001097 0.001749 26O 1f+2 0.000603 -0.001481 0.002089 0.000020 0.001898 -0.000151 26O 1f-2 0.000313 -0.000901 -0.001225 0.000732 -0.000308 -0.000641 26O 1f+3 -0.000113 -0.003432 -0.003536 -0.004878 0.002727 -0.000492 26O 1f-3 0.004494 -0.001075 -0.000008 -0.005442 0.002542 0.004204 27O 1s 0.003847 -0.003493 0.007291 0.000881 0.006256 0.010037 27O 2s 0.007590 -0.009399 0.014234 0.003428 0.011279 0.021360 27O 3s 0.024493 0.031017 0.044939 -0.027251 0.054738 0.021321 27O 4s -0.259221 0.080107 -0.564681 0.051066 -0.608900 -0.673225 27O 5s -0.093355 -0.952323 1.280154 0.025887 1.729268 2.412857 27O 1pz -0.001040 0.048295 0.011820 0.000101 0.007803 -0.011237 27O 1px -0.007808 0.016068 0.014280 0.040384 -0.029116 -0.026542 27O 1py -0.028807 -0.007358 -0.047100 -0.041862 0.041653 0.017202 27O 2pz -0.058296 0.079454 -0.038079 -0.002365 0.016144 -0.014188 27O 2px -0.006627 0.058615 0.036927 0.013548 -0.124258 -0.107579 27O 2py -0.010504 0.019597 -0.031898 -0.115873 0.158158 0.033737 27O 3pz 0.284195 -0.266295 0.320726 -0.020941 0.518606 0.225756 27O 3px 0.856073 0.800516 -0.405894 -0.012558 0.293841 -0.665666 27O 3py -0.471013 -0.299729 0.095536 0.228318 -0.973174 -0.309713 27O 1dz2 -0.001145 -0.003399 0.001792 -0.001299 -0.000046 0.002288 27O 1dxz -0.002626 0.000465 0.002068 -0.004759 0.005374 -0.000507 27O 1dyz 0.001774 -0.000873 0.000323 0.000869 -0.000565 0.003144 27O 1dx2y2 0.002200 0.003622 -0.001796 -0.000547 0.001244 -0.005538 27O 1dxy -0.001265 -0.000093 -0.000166 -0.001753 0.000652 0.000456 27O 2dz2 0.006920 -0.010444 0.023602 0.002176 -0.008010 -0.065783 27O 2dxz 0.002956 -0.005030 0.017755 -0.008918 -0.005467 -0.014530 27O 2dyz 0.020160 0.026245 0.049501 -0.041300 -0.024145 0.014268 27O 2dx2y2 -0.018300 -0.037719 0.029037 0.040569 0.009855 0.012934 27O 2dxy -0.013681 0.025810 0.008954 -0.031614 0.020921 -0.026966 27O 1f0 0.000740 -0.000553 0.001020 0.000806 -0.001724 -0.004229 27O 1f+1 -0.001326 -0.001707 -0.000620 0.003206 0.002170 0.004171 27O 1f-1 -0.000071 0.001063 -0.000005 -0.001190 -0.000353 0.001708 27O 1f+2 -0.002981 -0.000535 0.000580 -0.001442 0.004261 0.001893 27O 1f-2 -0.000826 -0.000854 0.000727 -0.000651 0.001645 -0.001698 27O 1f+3 0.000360 -0.004203 0.000419 0.005615 0.000573 0.006093 27O 1f-3 0.000128 -0.001574 0.001263 -0.002132 0.001047 -0.000704 28O 1s 0.006430 -0.008272 0.001402 -0.012236 0.008833 -0.000138 28O 2s 0.014609 -0.017262 0.002387 -0.025746 0.017003 -0.000873 28O 3s -0.005864 -0.026132 0.016671 -0.032177 0.056325 0.005362 28O 4s -0.357931 0.593708 -0.147627 0.807122 -0.720467 -0.008925 28O 5s 1.811976 -2.354638 0.357693 -2.598920 1.818655 -0.023763 28O 1pz -0.031899 0.009775 -0.000642 0.014372 -0.010030 -0.013685 28O 1px 0.004715 0.007430 0.009416 -0.035099 -0.018339 0.008525 28O 1py -0.023713 0.006915 -0.002717 0.016707 -0.007697 0.011404 28O 2pz -0.066307 0.051357 -0.023541 0.119952 -0.131183 -0.060046 28O 2px 0.058381 -0.014370 0.015459 -0.096978 -0.007284 0.020837 28O 2py -0.058481 -0.024917 0.001376 0.064935 -0.061499 0.001403 28O 3pz -0.660079 0.432993 0.077744 -0.464871 0.795603 0.216043 28O 3px 0.636879 -0.768054 -0.190813 -0.531823 0.393873 -0.015864 28O 3py 0.329090 0.289140 0.504853 -0.256173 0.428015 0.217430 28O 1dz2 -0.003133 0.002603 -0.003663 -0.000095 0.001412 0.000596 28O 1dxz 0.004614 -0.004892 -0.000825 -0.002814 0.000322 -0.000479 28O 1dyz -0.000261 0.004677 0.004818 0.005363 0.000134 0.001997 28O 1dx2y2 -0.003754 0.001753 -0.000207 0.002996 -0.000703 -0.000908 28O 1dxy -0.002654 -0.001501 -0.003982 -0.000949 0.000448 -0.001877 28O 2dz2 -0.018999 -0.003173 -0.046601 -0.029905 -0.014039 -0.029024 28O 2dxz -0.029825 0.006908 -0.014976 0.038782 0.002041 -0.034462 28O 2dyz 0.025899 0.004464 0.040614 -0.001835 -0.031629 0.010902 28O 2dx2y2 -0.001123 -0.006958 -0.023602 -0.009649 0.009726 -0.013700 28O 2dxy -0.005041 -0.004267 0.008609 0.014491 0.015296 -0.003596 28O 1f0 0.002187 0.000634 -0.000917 -0.003288 0.001096 0.000430 28O 1f+1 -0.001437 -0.002197 -0.001546 0.000015 0.000690 -0.001169 28O 1f-1 -0.000607 -0.001744 -0.001794 -0.003370 -0.003103 -0.000196 28O 1f+2 -0.003609 0.002189 -0.001437 0.004185 -0.001631 -0.002133 28O 1f-2 -0.000525 0.000191 -0.001507 0.000137 -0.000434 -0.001384 28O 1f+3 -0.001559 0.001385 0.001172 0.002611 -0.002721 -0.000757 28O 1f-3 -0.000814 -0.000416 -0.001602 -0.000212 -0.000786 -0.001171 29O 1s 0.002900 0.005184 0.002588 0.002689 0.004651 0.001196 29O 2s 0.007601 0.011503 0.004578 0.007697 0.006286 0.002996 29O 3s -0.019501 0.004524 0.021876 -0.029697 0.074497 -0.005556 29O 4s -0.020085 -0.256982 -0.243279 0.048183 -0.621927 -0.023750 29O 5s 0.012070 0.625637 0.633631 -0.132064 1.560181 0.075466 29O 1pz -0.004090 -0.022492 0.007791 -0.020708 0.001988 0.002870 29O 1px 0.035805 0.021695 -0.010344 0.029778 -0.018000 0.006574 29O 1py 0.019603 -0.000592 -0.010041 -0.001816 -0.000395 -0.013162 29O 2pz -0.019047 -0.024358 -0.012485 0.020527 -0.050850 -0.011901 29O 2px 0.037919 0.056522 0.038764 0.016223 0.117604 -0.003358 29O 2py -0.008796 -0.003136 -0.006846 -0.025685 -0.031129 -0.018782 29O 3pz 0.016559 -0.054638 0.205490 0.035428 0.196146 -0.078908 29O 3px -0.204597 -0.320504 -0.129726 0.017396 -0.582324 -0.030220 29O 3py 0.107428 -0.053469 -0.081933 0.136462 -0.119764 0.058438 29O 1dz2 0.000590 -0.001208 -0.002175 0.001105 -0.001126 0.000761 29O 1dxz -0.000013 -0.001366 -0.000475 0.000952 -0.000883 -0.000065 29O 1dyz -0.000656 -0.000322 0.001548 -0.000395 0.000184 -0.001201 29O 1dx2y2 0.001248 0.000206 -0.000743 0.001560 -0.003332 -0.000133 29O 1dxy 0.000485 -0.000126 0.000624 0.000286 0.000502 -0.000525 29O 2dz2 0.029378 0.026862 -0.048470 0.000567 -0.015748 0.046899 29O 2dxz -0.010092 -0.057131 0.038897 0.042746 0.057454 -0.056052 29O 2dyz -0.032006 -0.007563 0.042472 -0.030589 0.021560 -0.035836 29O 2dx2y2 0.019982 -0.009469 -0.020566 0.071857 -0.103133 -0.012663 29O 2dxy 0.053137 -0.004652 -0.062048 0.065291 -0.006280 0.014105 29O 1f0 -0.000140 -0.000575 -0.000999 0.000353 -0.002161 -0.000436 29O 1f+1 -0.000275 -0.001165 0.001261 0.001088 0.002068 -0.001282 29O 1f-1 -0.000163 -0.001403 -0.000556 0.001743 -0.000366 -0.001226 29O 1f+2 0.000516 0.001143 -0.000201 -0.001034 0.000994 0.002011 29O 1f-2 0.001022 0.001351 -0.001828 -0.001717 -0.002041 0.001063 29O 1f+3 -0.000579 -0.000296 0.001306 0.001369 0.001256 -0.000673 29O 1f-3 0.000790 -0.000063 -0.000911 0.001564 -0.000431 -0.000480 30O 1s -0.008183 -0.007552 -0.000300 0.008264 0.013149 0.006762 30O 2s -0.016473 -0.016751 0.001048 0.018259 0.025570 0.015769 30O 3s -0.035602 -0.005312 -0.030604 0.009333 0.081446 -0.012417 30O 4s 0.637429 0.444869 0.157654 -0.428690 -1.005033 -0.355182 30O 5s -2.678006 -1.740595 -0.643238 0.830840 2.299072 1.643375 30O 1pz 0.005922 -0.005328 -0.035285 -0.046692 0.009030 0.019751 30O 1px 0.000014 0.016605 -0.024176 0.012638 -0.031072 0.005529 30O 1py -0.010172 0.006702 0.022635 0.054024 -0.008344 0.014098 30O 2pz 0.032137 0.046465 -0.089512 -0.095678 -0.056018 0.059418 30O 2px -0.039433 -0.014901 -0.013178 -0.013873 -0.097518 0.095881 30O 2py -0.056642 0.036520 0.073811 0.105329 0.066446 0.022344 30O 3pz 0.626682 0.016438 0.678831 0.461504 0.120441 -0.374833 30O 3px -0.688448 -0.503543 -0.229552 0.262749 0.668486 0.471465 30O 3py -0.290155 -0.660943 -0.919152 -0.439661 -0.498521 0.367299 30O 1dz2 0.001788 -0.002102 -0.001101 0.002032 -0.003313 0.004826 30O 1dxz -0.004675 -0.001587 -0.001544 0.001229 0.002814 0.000167 30O 1dyz -0.008549 -0.003554 -0.002187 0.000397 0.000197 0.000601 30O 1dx2y2 -0.000563 -0.001208 0.000888 -0.002661 -0.003017 -0.000729 30O 1dxy 0.002025 0.003200 0.003956 0.000492 -0.001799 -0.004148 30O 2dz2 -0.000762 -0.004420 -0.000656 0.037657 -0.013985 -0.041941 30O 2dxz -0.000741 0.003315 0.032948 0.031040 -0.013001 -0.066679 30O 2dyz -0.012478 0.020747 -0.053079 -0.027740 0.071399 -0.037874 30O 2dx2y2 0.006472 -0.010503 0.016671 0.013595 0.005691 0.002127 30O 2dxy -0.014243 0.005930 -0.023095 0.003912 0.010456 0.017088 30O 1f0 0.000412 0.000233 0.000586 -0.000871 0.003319 0.004441 30O 1f+1 -0.000340 -0.001063 0.001163 -0.000195 0.000157 -0.002582 30O 1f-1 0.000116 -0.000602 0.001147 -0.001173 0.002127 -0.002240 30O 1f+2 0.001521 0.001168 0.000446 -0.001348 0.001256 -0.004871 30O 1f-2 0.000762 0.002186 -0.001233 0.000379 -0.000436 -0.005942 30O 1f+3 -0.001738 0.000919 -0.002035 -0.003657 0.000180 0.001816 30O 1f-3 0.000393 0.002379 -0.000155 0.000215 0.000158 -0.006067 31O 1s 0.008293 0.007588 -0.000843 -0.007818 0.013446 -0.006545 31O 2s 0.016612 0.016831 -0.000137 -0.017563 0.026290 -0.015341 31O 3s 0.037878 0.005366 -0.031310 -0.003446 0.080482 0.013785 31O 4s -0.648427 -0.446894 0.185947 0.380965 -1.015088 0.335902 31O 5s 2.686103 1.745051 -0.698403 -0.713028 2.332602 -1.597037 31O 1pz 0.003817 -0.005119 0.030969 -0.050286 -0.007405 0.020627 31O 1px 0.000650 0.017070 0.025279 0.012194 0.030234 0.006469 31O 1py -0.008957 0.006061 -0.019591 0.056211 0.006074 0.012935 31O 2pz 0.024523 0.046375 0.078681 -0.102611 0.058403 0.061945 31O 2px -0.034572 -0.014106 0.012062 -0.010134 0.095334 0.095288 31O 2py -0.051411 0.035076 -0.065504 0.109155 -0.069904 0.017707 31O 3pz 0.660365 0.011243 -0.631359 0.519304 -0.126914 -0.407635 31O 3px -0.695614 -0.507314 0.253807 0.225677 -0.680471 0.462589 31O 3py -0.331557 -0.657642 0.876537 -0.492220 0.500179 0.408639 31O 1dz2 -0.001736 0.002153 -0.001263 -0.002128 -0.003152 -0.004731 31O 1dxz 0.004809 0.001551 -0.001653 -0.000971 0.002868 -0.000259 31O 1dyz 0.008258 0.003496 -0.002202 -0.000307 0.000171 -0.000662 31O 1dx2y2 0.000525 0.001233 0.001109 0.002471 -0.003115 0.000719 31O 1dxy -0.002339 -0.003245 0.003849 -0.000873 -0.001865 0.004165 31O 2dz2 0.001120 0.004772 -0.004106 -0.038285 -0.012504 0.041602 31O 2dxz 0.002275 -0.002896 0.030535 -0.033267 -0.012602 0.068185 31O 2dyz 0.013613 -0.021210 -0.051140 0.034716 0.068725 0.036242 31O 2dx2y2 -0.005632 0.011129 0.016128 -0.014558 0.007086 -0.000785 31O 2dxy 0.013888 -0.006210 -0.024039 -0.001894 0.011054 -0.018640 31O 1f0 0.000487 0.000194 -0.000690 -0.000975 -0.003346 0.004348 31O 1f+1 -0.000275 -0.001044 -0.001126 -0.000098 -0.000132 -0.002517 31O 1f-1 0.000125 -0.000577 -0.001193 -0.001166 -0.002047 -0.002195 31O 1f+2 0.001298 0.001127 -0.000574 -0.001392 -0.001159 -0.004872 31O 1f-2 0.000655 0.002222 0.001270 0.000251 0.000528 -0.005882 31O 1f+3 -0.001751 0.000932 0.001682 -0.003775 -0.000052 0.001937 31O 1f-3 0.000237 0.002381 0.000168 0.000176 -0.000079 -0.006029 32O 1s -0.002847 -0.005141 0.002289 -0.002667 0.004915 -0.000961 32O 2s -0.007494 -0.011406 0.003836 -0.007712 0.006911 -0.002642 32O 3s 0.019708 -0.004567 0.023090 0.030750 0.073999 0.008684 32O 4s 0.016459 0.254840 -0.237081 -0.054869 -0.630766 -0.004918 32O 5s -0.003576 -0.618616 0.620724 0.148315 1.581665 -0.000542 32O 1pz -0.004448 -0.022376 -0.009450 -0.020185 -0.001126 0.002553 32O 1px 0.035687 0.022503 0.013442 0.029774 0.016525 0.007494 32O 1py 0.019430 0.000019 0.010448 -0.002758 0.001095 -0.012342 32O 2pz -0.019399 -0.023900 0.012988 0.021680 0.049346 -0.010185 32O 2px 0.036858 0.056438 -0.034913 0.013531 -0.119921 -0.008531 32O 2py -0.008333 -0.002221 0.004735 -0.022893 0.032651 -0.018340 32O 3pz 0.023020 -0.053497 -0.196078 0.041561 -0.198832 -0.083656 32O 3px -0.199320 -0.314608 0.121025 0.033109 0.589234 -0.002498 32O 3py 0.101695 -0.059367 0.087500 0.130992 0.115156 0.066877 32O 1dz2 -0.000683 0.001166 -0.002301 -0.000962 -0.001136 -0.001029 32O 1dxz 0.000042 0.001351 -0.000560 -0.000874 -0.000880 -0.000007 32O 1dyz 0.000493 0.000377 0.001474 0.000132 0.000055 0.001164 32O 1dx2y2 -0.001293 -0.000252 -0.000875 -0.001623 -0.003302 -0.000030 32O 1dxy -0.000467 0.000097 0.000526 -0.000364 0.000458 0.000489 32O 2dz2 -0.027472 -0.026699 -0.049227 0.001853 -0.016759 -0.048515 32O 2dxz 0.008420 0.056861 0.035058 -0.042279 0.058161 0.055382 32O 2dyz 0.028571 0.008368 0.043107 0.024954 0.018474 0.036187 32O 2dx2y2 -0.021620 0.008469 -0.025577 -0.074490 -0.101196 0.006918 32O 2dxy -0.052980 0.003418 -0.068559 -0.062117 -0.004729 -0.017871 32O 1f0 -0.000106 -0.000457 0.000995 0.000330 0.002114 -0.000289 32O 1f+1 -0.000220 -0.001205 -0.001212 0.001114 -0.002222 -0.001305 32O 1f-1 -0.000102 -0.001345 0.000822 0.001682 0.000402 -0.001045 32O 1f+2 0.000421 0.001122 0.000065 -0.001151 -0.000984 0.001922 32O 1f-2 0.000975 0.001428 0.001650 -0.001742 0.002042 0.001171 32O 1f+3 -0.000535 -0.000316 -0.001192 0.001316 -0.001276 -0.000678 32O 1f-3 0.000849 -0.000061 0.001071 0.001568 0.000427 -0.000504 33O 1s -0.006546 0.008410 0.002091 0.012507 0.008406 0.000639 33O 2s -0.014770 0.017549 0.003733 0.026348 0.016108 0.001787 33O 3s 0.003807 0.026477 0.020560 0.032191 0.055141 -0.001197 33O 4s 0.366001 -0.601914 -0.198141 -0.823255 -0.689508 -0.035692 33O 5s -1.795776 2.383410 0.463098 2.661855 1.713449 0.144268 33O 1pz -0.029553 0.008878 0.002404 0.016748 0.010590 -0.014156 33O 1px 0.001866 0.007291 -0.012025 -0.034733 0.019186 0.007210 33O 1py -0.023035 0.006508 0.003150 0.017151 0.006355 0.011676 33O 2pz -0.058505 0.051781 0.034850 0.128403 0.129112 -0.055946 33O 2px 0.048454 -0.015220 -0.017861 -0.099898 0.010624 0.019261 33O 2py -0.057450 -0.025112 0.002974 0.067540 0.057777 0.005844 33O 3pz -0.708310 0.441070 -0.166781 -0.516497 -0.783276 0.201316 33O 3px 0.641026 -0.777748 0.189170 -0.557141 -0.369538 -0.038541 33O 3py 0.320717 0.291463 -0.531256 -0.244846 -0.422196 0.186731 33O 1dz2 0.003183 -0.002627 -0.003666 0.000412 0.001348 -0.000515 33O 1dxz -0.004798 0.004952 -0.000872 0.002800 0.000234 0.000576 33O 1dyz -0.000174 -0.004672 0.004467 -0.005756 0.000456 -0.001950 33O 1dx2y2 0.003726 -0.001811 -0.000254 -0.002994 -0.000628 0.000805 33O 1dxy 0.002536 0.001502 -0.003989 0.001176 0.000304 0.001829 33O 2dz2 0.021154 0.002472 -0.043964 0.033455 -0.015197 0.027146 33O 2dxz 0.028775 -0.007730 -0.014630 -0.037906 0.004134 0.033504 33O 2dyz -0.023909 -0.005010 0.038076 -0.000384 -0.032150 -0.012626 33O 2dx2y2 0.002226 0.006717 -0.024040 0.012716 0.008885 0.013919 33O 2dxy 0.005210 0.003702 0.007103 -0.013872 0.015263 0.002898 33O 1f0 0.002000 0.000604 0.000915 -0.003433 -0.000884 0.000400 33O 1f+1 -0.001294 -0.002177 0.001545 -0.000075 -0.000645 -0.001066 33O 1f-1 -0.000755 -0.001710 0.001528 -0.003406 0.003200 -0.000059 33O 1f+2 -0.003457 0.002242 0.001439 0.004199 0.001397 -0.002126 33O 1f-2 -0.000468 0.000184 0.001560 0.000071 0.000492 -0.001382 33O 1f+3 -0.001344 0.001395 -0.001147 0.002901 0.002562 -0.000702 33O 1f-3 -0.000776 -0.000441 0.001608 -0.000252 0.000843 -0.001114 34O 1s -0.003954 0.003665 0.007618 -0.001135 0.006594 -0.009573 34O 2s -0.007852 0.009718 0.014786 -0.003934 0.012033 -0.020549 34O 3s -0.023962 -0.029705 0.048574 0.025847 0.055009 -0.016631 34O 4s 0.266690 -0.094966 -0.597110 -0.032247 -0.628271 0.627673 34O 5s 0.049940 0.996951 1.383190 -0.068437 1.784371 -2.316694 34O 1pz 0.001263 0.048494 -0.011230 0.000941 -0.007121 -0.011501 34O 1px -0.007792 0.016320 -0.009584 0.041621 0.028534 -0.028268 34O 1py -0.029165 -0.007032 0.042933 -0.046593 -0.040569 0.018846 34O 2pz -0.052143 0.080815 0.037974 -0.005194 -0.014057 -0.010613 34O 2px -0.009118 0.059925 -0.032912 0.019043 0.125593 -0.110423 34O 2py -0.008034 0.019322 0.022049 -0.122249 -0.155403 0.032526 34O 3pz 0.274715 -0.271555 -0.319666 -0.020257 -0.522264 0.207078 34O 3px 0.831535 0.806952 0.440738 -0.057603 -0.291283 -0.650447 34O 3py -0.475724 -0.290378 -0.073863 0.261686 0.979012 -0.288281 34O 1dz2 0.000936 0.003444 0.002049 0.001085 -0.000033 -0.002225 34O 1dxz 0.002411 -0.000507 0.002304 0.004808 0.005073 0.000489 34O 1dyz -0.002000 0.000897 0.000404 -0.000995 -0.000403 -0.003159 34O 1dx2y2 -0.002231 -0.003691 -0.002070 0.000721 0.001136 0.005416 34O 1dxy 0.001027 0.000044 0.000020 0.001780 0.000573 -0.000502 34O 2dz2 -0.008434 0.010219 0.024126 -0.004678 -0.007320 0.066077 34O 2dxz -0.004148 0.004678 0.018222 0.007436 -0.005938 0.014197 34O 2dyz -0.022117 -0.025516 0.052788 0.036265 -0.025442 -0.010433 34O 2dx2y2 0.016018 0.037961 0.025310 -0.042842 0.010714 -0.013029 34O 2dxy 0.014554 -0.025800 0.011025 0.032185 0.019524 0.028855 34O 1f0 0.000663 -0.000542 -0.000879 0.000933 0.001717 -0.004259 34O 1f+1 -0.001266 -0.001716 0.000889 0.003058 -0.002264 0.004125 34O 1f-1 -0.000105 0.001039 -0.000113 -0.001177 0.000377 0.001642 34O 1f+2 -0.002928 -0.000560 -0.000654 -0.001552 -0.004163 0.001792 34O 1f-2 -0.000958 -0.000872 -0.000725 -0.000656 -0.001596 -0.001783 34O 1f+3 0.000524 -0.004229 0.000038 0.005622 -0.000814 0.006122 34O 1f-3 0.000152 -0.001580 -0.001490 -0.002037 -0.000998 -0.000691 35O 1s -0.001779 0.001963 0.002943 -0.003101 0.010694 0.003924 35O 2s -0.004916 0.004919 0.005976 -0.003566 0.020741 0.008246 35O 3s 0.021614 -0.013173 0.015871 -0.068978 0.067089 0.015862 35O 4s 0.053798 -0.092009 -0.168474 0.477699 -0.890374 -0.241762 35O 5s -0.827245 1.340700 -0.106345 -1.455238 2.391592 0.586213 35O 1pz 0.021771 0.039421 -0.024500 0.011733 0.016198 0.036774 35O 1px 0.044261 0.015555 -0.051502 -0.018333 0.005016 0.025665 35O 1py -0.007433 -0.004298 0.027659 -0.030688 0.006118 -0.003061 35O 2pz 0.085118 0.007723 -0.040081 -0.012622 0.113363 0.062854 35O 2px 0.024697 0.062983 -0.143219 0.005488 0.059233 0.023182 35O 2py -0.059015 -0.029290 0.105657 -0.093087 0.093192 -0.041704 35O 3pz -0.345376 0.303107 -0.123249 0.090792 -0.938631 0.029440 35O 3px -0.746769 1.039050 0.035736 -0.179334 0.239408 0.197564 35O 3py -0.230948 0.696058 -0.113244 -0.000031 -0.625190 0.001788 35O 1dz2 -0.001896 0.004308 0.001558 -0.002033 0.000864 -0.000317 35O 1dxz -0.000668 0.000011 0.004172 0.000076 0.001213 -0.003692 35O 1dyz 0.000638 -0.000668 0.003969 0.003535 -0.001091 -0.000543 35O 1dx2y2 -0.001605 -0.004370 0.005677 -0.002839 -0.002779 -0.006749 35O 1dxy 0.005156 -0.002783 -0.004229 0.007668 -0.000263 0.002243 35O 2dz2 0.029329 0.017664 0.007570 -0.005037 0.003724 0.047910 35O 2dxz -0.001903 -0.001055 0.006837 -0.012844 -0.007995 -0.011260 35O 2dyz -0.028930 -0.002215 -0.015277 0.030520 -0.032213 -0.027235 35O 2dx2y2 -0.031106 0.025079 0.008883 0.038905 0.009019 -0.025352 35O 2dxy -0.016894 0.021688 -0.025065 0.068156 0.008749 -0.003016 35O 1f0 -0.001455 -0.000463 -0.001264 -0.000623 0.000355 0.000030 35O 1f+1 0.004099 -0.000937 -0.000244 -0.004915 -0.000848 0.002993 35O 1f-1 0.001732 0.000855 0.000261 -0.000831 0.001140 0.001775 35O 1f+2 0.000772 -0.001523 -0.002089 0.000135 -0.001884 -0.000223 35O 1f-2 0.000344 -0.000885 0.001329 0.000693 0.000328 -0.000491 35O 1f+3 -0.000178 -0.003406 0.003262 -0.005212 -0.002428 -0.000462 35O 1f-3 0.004357 -0.001135 -0.000255 -0.005591 -0.002336 0.004074 276 277 278 279 280 281 1.03929 1.04300 1.06262 1.06658 1.07629 1.07813 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s 0.001420 -0.002392 -0.000422 -0.000911 -0.000077 -0.000505 0Rh 2s -0.004897 0.006244 0.002421 0.003569 0.000069 0.001410 0Rh 3s 0.005285 -0.010132 -0.000976 -0.003126 -0.000409 -0.002084 0Rh 4s 0.022350 -0.027173 -0.011521 -0.016432 -0.000205 -0.006213 0Rh 5s -0.012941 -0.010530 0.017139 0.013261 -0.002202 -0.001064 0Rh 6s -0.081232 0.220649 -0.003625 0.045200 0.011443 0.045054 0Rh 7s 0.149599 -1.110185 -0.083152 -0.200588 -0.047337 -0.168518 0Rh 8s -0.339746 -0.028592 0.493081 -0.371939 -0.104915 -0.157452 0Rh 1pz 0.007764 0.008547 -0.004657 0.002176 0.005083 0.006528 0Rh 1px 0.006152 0.000249 -0.005943 -0.000843 0.001789 0.004080 0Rh 1py -0.004758 0.014030 -0.011343 -0.011414 0.003806 -0.008291 0Rh 2pz -0.026336 -0.028745 0.015839 -0.007189 -0.017223 -0.022603 0Rh 2px -0.020763 -0.000941 0.020327 0.002806 -0.006129 -0.014137 0Rh 2py 0.016135 -0.047015 0.038657 0.038881 -0.012971 0.028522 0Rh 3pz 0.009581 0.005329 -0.006294 -0.001595 0.005545 0.017379 0Rh 3px 0.004828 0.003128 -0.010850 0.000229 0.003432 0.011177 0Rh 3py -0.005659 0.004835 -0.017159 -0.017078 0.005716 -0.018011 0Rh 4pz 0.103006 0.132975 -0.061986 0.046830 0.071858 0.050219 0Rh 4px 0.097277 -0.013627 -0.065225 -0.017636 0.019148 0.029536 0Rh 4py -0.064226 0.234890 -0.141478 -0.138747 0.047733 -0.079912 0Rh 5pz -0.130426 -0.175421 0.098406 -0.087277 -0.107278 0.008208 0Rh 5px -0.178981 0.073919 0.067120 0.045787 -0.020015 0.012043 0Rh 5py 0.083935 -0.336050 0.187970 0.111480 -0.061886 0.026556 0Rh 6pz 0.007690 0.472566 -0.519232 0.621011 0.436929 -1.676876 0Rh 6px 1.555002 -1.034941 0.202581 -0.483053 -0.022348 -1.131690 0Rh 6py -0.257440 1.032160 -0.289271 1.753848 -0.085494 1.994389 0Rh 1dz2 0.029060 0.000796 -0.029483 0.011394 -0.021132 -0.029263 0Rh 1dxz 0.009910 0.040910 -0.012393 -0.002766 -0.007013 0.042012 0Rh 1dyz -0.002707 0.015625 0.002759 0.017074 0.029453 0.025928 0Rh 1dx2y2 -0.002275 -0.013257 -0.009744 0.002396 -0.011736 0.032446 0Rh 1dxy -0.009524 -0.000151 -0.002487 -0.053635 -0.000859 -0.044766 0Rh 2dz2 -0.004873 0.001559 0.004855 -0.002242 0.005393 0.007306 0Rh 2dxz -0.003541 -0.008812 0.003922 0.001767 0.000281 -0.010592 0Rh 2dyz 0.001387 -0.003321 -0.002748 -0.004027 -0.004992 -0.006255 0Rh 2dx2y2 -0.000042 0.001065 0.000580 -0.002126 0.002412 -0.008295 0Rh 2dxy 0.003958 -0.000339 0.001369 0.013091 0.000219 0.011406 0Rh 3dz2 -0.040544 -0.008266 0.041978 -0.014680 0.022094 0.031153 0Rh 3dxz -0.005912 -0.049266 0.009679 -0.001607 0.013674 -0.044526 0Rh 3dyz -0.000450 -0.018852 0.006136 -0.019189 -0.041841 -0.028776 0Rh 3dx2y2 0.004392 0.023599 0.018453 0.003883 0.014686 -0.033849 0Rh 3dxy 0.003319 0.001878 -0.000010 0.058511 0.000706 0.046970 0Rh 4dz2 -0.097400 0.022327 0.093810 -0.041144 0.097375 0.130532 0Rh 4dxz -0.060614 -0.157595 0.066908 0.026572 0.012286 -0.185865 0Rh 4dyz 0.029636 -0.059754 -0.050983 -0.072050 -0.087765 -0.109574 0Rh 4dx2y2 0.012214 0.023279 0.013638 -0.032201 0.046180 -0.146692 0Rh 4dxy 0.066405 -0.007380 0.011681 0.232598 0.008601 0.202022 0Rh 5dz2 0.224351 -0.152178 -0.137391 0.090146 -0.356509 -0.393075 0Rh 5dxz 0.240769 0.320510 -0.217269 -0.101540 -0.016864 0.514302 0Rh 5dyz -0.240500 0.121067 0.416215 0.194395 0.003000 0.278541 0Rh 5dx2y2 -0.163755 0.097906 0.046292 0.139562 -0.143330 0.440183 0Rh 5dxy -0.292347 0.078715 0.080319 -0.650861 -0.106664 -0.593644 0Rh 1f0 -0.019238 -0.012970 0.004392 0.000668 -0.010167 -0.016587 0Rh 1f+1 -0.005794 -0.026457 0.006122 -0.002006 -0.006386 -0.022640 0Rh 1f-1 -0.006311 -0.006315 0.012229 -0.006890 -0.007541 0.001419 0Rh 1f+2 0.016882 -0.003717 -0.014763 -0.013161 0.004782 -0.001536 0Rh 1f-2 0.014616 -0.007519 0.001486 0.005315 0.008186 0.016354 0Rh 1f+3 0.000237 -0.002949 -0.005873 -0.019512 -0.003046 -0.016525 0Rh 1f-3 0.019323 -0.016979 0.024000 0.023985 -0.011151 0.015147 1Rh 1s -0.001324 -0.002427 0.000286 -0.000924 0.000129 -0.000494 1Rh 2s 0.004640 0.006389 -0.001965 0.003657 -0.000277 0.001352 1Rh 3s -0.004883 -0.010247 0.000464 -0.003151 0.000584 -0.002057 1Rh 4s -0.021227 -0.027849 0.009460 -0.016855 0.001168 -0.005937 1Rh 5s 0.013267 -0.009885 -0.016239 0.013964 0.001368 -0.001447 1Rh 6s 0.072629 0.222067 0.012673 0.044726 -0.013789 0.044996 1Rh 7s -0.106491 -1.114747 0.034598 -0.203487 0.062940 -0.165607 1Rh 8s 0.336453 -0.021486 -0.505602 -0.350401 0.093131 -0.177895 1Rh 1pz 0.007450 -0.008641 -0.004939 -0.001998 0.004921 -0.006663 1Rh 1px 0.006045 -0.000184 -0.005819 0.001074 0.001596 -0.004164 1Rh 1py -0.004530 -0.013515 -0.011396 0.011935 0.003974 0.008012 1Rh 2pz -0.025291 0.029065 0.016757 0.006594 -0.016670 0.023056 1Rh 2px -0.020407 0.000726 0.019913 -0.003597 -0.005467 0.014425 1Rh 2py 0.015368 0.045256 0.038805 -0.040653 -0.013569 -0.027573 1Rh 3pz 0.009601 -0.005430 -0.005836 0.001650 0.005299 -0.017449 1Rh 3px 0.004824 -0.003129 -0.010789 0.000186 0.003053 -0.011360 1Rh 3py -0.005536 -0.003986 -0.016538 0.017797 0.006476 0.017632 1Rh 4pz 0.097322 -0.134264 -0.068948 -0.043721 0.069938 -0.052408 1Rh 4px 0.095143 0.014878 -0.063016 0.020194 0.017086 -0.030382 1Rh 4py -0.060631 -0.228717 -0.144947 0.145505 0.047777 0.076241 1Rh 5pz -0.122005 0.177006 0.111412 0.081625 -0.106236 -0.004857 1Rh 5px -0.174079 -0.076639 0.062190 -0.048349 -0.018207 -0.011025 1Rh 5py 0.079352 0.327738 0.196757 -0.120495 -0.058113 -0.021514 1Rh 6pz -0.027083 -0.478312 -0.611697 -0.578102 0.473721 1.663079 1Rh 6px 1.503995 1.065049 0.240949 0.475064 -0.003226 1.128893 1Rh 6py -0.245139 -1.015835 -0.404252 -1.745795 -0.169107 -1.999270 1Rh 1dz2 -0.029444 -0.000582 0.030893 0.009968 0.020115 -0.029439 1Rh 1dxz -0.010410 0.040739 0.011882 -0.003284 0.007744 0.041912 1Rh 1dyz 0.002888 0.015183 -0.001753 0.017232 -0.028387 0.026954 1Rh 1dx2y2 0.003560 -0.013374 0.008747 0.001859 0.013168 0.031973 1Rh 1dxy 0.009326 0.000115 0.000419 -0.053694 -0.001408 -0.044637 1Rh 2dz2 0.004961 0.001842 -0.005137 -0.001996 -0.005163 0.007369 1Rh 2dxz 0.003617 -0.008822 -0.003714 0.001921 -0.000491 -0.010606 1Rh 2dyz -0.001356 -0.003300 0.002563 -0.004148 0.004736 -0.006406 1Rh 2dx2y2 -0.000161 0.001008 -0.000481 -0.002073 -0.002736 -0.008166 1Rh 2dxy -0.003835 -0.000373 -0.000853 0.013138 0.000368 0.011373 1Rh 3dz2 0.040982 -0.006550 -0.043772 -0.012694 -0.020910 0.031266 1Rh 3dxz 0.006649 -0.048878 -0.009478 -0.001160 -0.014337 -0.044251 1Rh 3dyz -0.000077 -0.017999 -0.007480 -0.018999 0.040655 -0.030332 1Rh 3dx2y2 -0.006251 0.024093 -0.016759 0.004807 -0.016355 -0.033397 1Rh 3dxy -0.003427 0.001480 0.002220 0.058460 0.001633 0.046824 1Rh 4dz2 0.098984 0.027451 -0.098960 -0.036481 -0.093184 0.131649 1Rh 4dxz 0.061992 -0.157294 -0.063511 0.029235 -0.015907 -0.186010 1Rh 4dyz -0.029192 -0.059418 0.047460 -0.074323 0.083241 -0.112259 1Rh 4dx2y2 -0.016052 0.022465 -0.011427 -0.031073 -0.052040 -0.144307 1Rh 4dxy -0.064362 -0.008476 -0.002672 0.232899 0.001693 0.201718 1Rh 5dz2 -0.227980 -0.163071 0.147779 0.083033 0.345111 -0.399627 1Rh 5dxz -0.240106 0.317670 0.203817 -0.109934 0.028243 0.516248 1Rh 5dyz 0.233531 0.129495 -0.409157 0.212920 0.009083 0.275449 1Rh 5dx2y2 0.166234 0.105027 -0.045514 0.139519 0.158335 0.431043 1Rh 5dxy 0.281726 0.086273 -0.104403 -0.646844 0.076712 -0.597135 1Rh 1f0 -0.018863 0.012957 0.004122 -0.000748 -0.009152 0.016953 1Rh 1f+1 -0.005747 0.026832 0.006242 0.001786 -0.005831 0.022612 1Rh 1f-1 -0.006048 0.005573 0.013132 0.006173 -0.007451 -0.001038 1Rh 1f+2 0.016483 0.004286 -0.013833 0.013874 0.004695 0.001199 1Rh 1f-2 0.014053 0.007000 0.001891 -0.005262 0.007645 -0.016549 1Rh 1f+3 0.000301 0.003570 -0.004976 0.019623 -0.002844 0.016344 1Rh 1f-3 0.018842 0.016504 0.023573 -0.025117 -0.012168 -0.014530 2C 1s -0.001269 0.003507 0.002517 0.001634 -0.001894 -0.000457 2C 2s -0.001584 0.008649 0.002876 0.002997 -0.002736 -0.000558 2C 3s -0.053557 0.011483 0.116855 0.029415 -0.062253 -0.018665 2C 4s 0.359197 -0.298563 -0.791418 -0.232538 0.460430 0.113780 2C 5s -0.363529 -3.107693 2.297996 -0.881992 -1.730927 -0.568542 2C 1pz 0.032270 -0.010304 -0.003074 -0.019420 0.045230 -0.024092 2C 1px -0.018696 -0.013327 -0.004118 -0.006481 -0.013761 0.015201 2C 1py 0.010706 -0.067472 -0.069479 -0.020234 -0.024880 0.038161 2C 2pz 0.437518 0.033734 -0.383676 0.021472 0.588721 -0.090987 2C 2px -0.049083 -0.328626 0.179071 -0.018154 -0.227228 0.043915 2C 2py -0.085875 -0.331441 -0.687418 -0.442109 -0.074532 0.359312 2C 3pz 0.015993 -0.587755 0.487264 -0.392751 -0.075272 -0.228773 2C 3px -0.162281 -0.642151 0.008966 -0.243690 -0.140492 0.125277 2C 3py 0.171553 -0.664080 -0.113352 0.075558 -0.405172 0.174752 2C 1dz2 0.005520 0.004067 0.005218 0.004892 -0.002030 0.000942 2C 1dxz 0.002352 -0.005809 -0.003528 -0.001707 -0.000735 0.001637 2C 1dyz -0.006810 -0.000207 0.002621 -0.002046 -0.004769 -0.000330 2C 1dx2y2 0.001440 -0.005622 0.000587 -0.001570 -0.004377 0.001991 2C 1dxy 0.002752 0.000658 0.006036 0.004817 0.004622 -0.001409 2C 2dz2 -0.231770 -0.132193 -0.373263 -0.445927 0.013637 0.166125 2C 2dxz -0.171702 0.097145 -0.765398 -0.369247 0.135369 0.252163 2C 2dyz 0.283155 -0.241675 -0.240794 0.036257 0.070970 0.121004 2C 2dx2y2 -0.534739 -0.376979 -0.076610 -0.381257 -0.525785 0.296091 2C 2dxy 0.381807 0.359186 0.323435 0.354680 0.560319 -0.380199 2C 1f0 -0.028540 -0.022405 -0.024831 -0.026623 -0.029894 0.023823 2C 1f+1 0.007222 0.002293 0.016595 0.008636 0.008258 -0.009672 2C 1f-1 0.014837 0.003924 -0.015993 0.001158 0.023215 -0.004369 2C 1f+2 -0.005226 0.011070 -0.008472 -0.003687 0.006792 -0.000456 2C 1f-2 -0.009972 -0.003732 -0.015318 -0.011383 -0.008353 0.008615 2C 1f+3 -0.010953 -0.011124 -0.029346 -0.020127 -0.011565 0.019273 2C 1f-3 0.005003 -0.009633 0.014279 0.004740 -0.005642 -0.001004 3C 1s -0.003678 0.000431 -0.001853 0.001643 -0.000294 0.000546 3C 2s -0.006256 0.002604 -0.002616 0.002856 -0.001129 0.001532 3C 3s -0.087837 -0.080552 -0.075601 0.035121 0.017896 0.012881 3C 4s 0.672704 0.365226 0.511747 -0.262896 -0.070548 -0.105708 3C 5s -2.108460 -1.983160 -1.512356 -0.945877 -0.375884 -0.372901 3C 1pz -0.008456 0.026343 0.047273 -0.009025 -0.000343 -0.009577 3C 1px -0.058664 0.068690 0.017765 -0.024562 0.044757 -0.017684 3C 1py -0.064577 0.038952 0.002584 0.013299 0.034074 0.000872 3C 2pz 0.155578 0.238836 0.275014 -0.371742 0.090768 0.061116 3C 2px 0.067107 0.487197 -0.005670 -0.220894 0.445554 -0.013253 3C 2py -0.672807 -0.075149 -0.373960 0.019935 0.253346 0.105283 3C 3pz -0.187643 0.055841 -0.024888 0.214024 0.056392 -0.186703 3C 3px -0.915739 0.363483 0.286714 -0.273724 0.222805 -0.121482 3C 3py 0.109150 0.681560 0.419312 0.428655 0.339151 -0.004012 3C 1dz2 0.001530 -0.000014 -0.007265 -0.005270 0.006401 0.002084 3C 1dxz 0.002031 -0.005970 -0.002673 0.002150 -0.006401 -0.000101 3C 1dyz 0.000269 0.001438 0.007404 -0.001268 -0.003696 -0.001167 3C 1dx2y2 0.005078 0.000308 -0.001816 -0.001003 0.000428 0.002074 3C 1dxy 0.006626 -0.005563 -0.001206 0.002632 -0.001215 -0.002184 3C 2dz2 -0.221677 0.208251 0.101529 0.170040 0.138977 -0.089977 3C 2dxz 0.449788 -0.522496 0.278638 0.332837 -0.724733 -0.092294 3C 2dyz -0.410421 -0.275087 -0.251080 -0.230045 0.053177 0.172378 3C 2dx2y2 -0.206645 -0.287678 0.030750 0.508278 -0.337758 -0.168323 3C 2dxy 0.069608 -0.266124 -0.276088 0.265469 -0.112353 -0.032286 3C 1f0 -0.001778 -0.020820 -0.007295 0.024242 -0.019774 -0.004810 3C 1f+1 -0.006784 0.014417 0.000527 0.004325 0.011503 -0.003088 3C 1f-1 -0.015468 0.009332 -0.013687 -0.017499 0.023808 0.008504 3C 1f+2 -0.003713 0.003132 -0.006947 0.000227 0.009813 0.005108 3C 1f-2 -0.000590 -0.012299 -0.002223 -0.001742 -0.008908 0.001752 3C 1f+3 0.025988 -0.014097 0.006891 0.012369 -0.025277 -0.004645 3C 1f-3 0.000144 -0.019817 -0.001268 0.005786 -0.016608 0.001925 4C 1s 0.000403 -0.003560 0.005975 -0.004290 -0.003935 0.002107 4C 2s -0.001353 -0.009357 0.020690 -0.010193 -0.012955 0.004942 4C 3s 0.147169 0.035034 -0.424767 -0.034671 0.265026 0.007428 4C 4s -1.010032 -0.144884 2.212782 0.472677 -1.328016 -0.240480 4C 5s -0.110123 1.872390 -1.055017 1.176624 0.808394 0.084257 4C 1pz 0.067912 -0.002043 -0.090062 0.025630 0.096623 -0.020921 4C 1px -0.034327 0.024027 0.047560 -0.029327 -0.060469 0.018781 4C 1py -0.028947 -0.023606 -0.084717 -0.054783 0.008330 0.024911 4C 2pz 0.241301 -0.240893 -0.252205 -0.006153 0.209556 0.059666 4C 2px -0.056230 0.112741 -0.191887 -0.205040 0.045523 0.144776 4C 2py 0.011017 -0.080358 -0.269587 -0.160951 0.125949 0.098381 4C 3pz -0.017924 -2.409732 1.170700 -0.008522 -0.978810 -0.501363 4C 3px 0.280584 0.679355 -0.242993 0.126141 0.145162 -0.166247 4C 3py -0.312882 -1.270083 0.708308 -0.804545 -0.533975 -0.244664 4C 1dz2 0.006922 0.000551 -0.004847 -0.000114 -0.000535 0.004200 4C 1dxz 0.007416 0.002613 -0.011690 0.003495 0.011794 -0.004297 4C 1dyz -0.001715 -0.002574 0.001751 -0.002380 0.000339 0.000227 4C 1dx2y2 -0.002233 -0.001723 0.015745 0.004509 -0.004785 -0.004398 4C 1dxy 0.001037 -0.000697 0.000606 0.006887 -0.002421 0.002204 4C 2dz2 -0.335224 0.040547 -0.055456 -0.142653 -0.201594 0.109257 4C 2dxz -0.176324 0.047677 0.141176 -0.159981 0.058911 -0.152974 4C 2dyz 0.092939 0.163584 0.418434 0.270329 0.013574 -0.261900 4C 2dx2y2 -0.149417 0.066130 -0.039354 -0.110012 0.184490 -0.170252 4C 2dxy -0.126022 -0.011798 -0.268378 0.023317 -0.342678 0.398474 4C 1f0 0.013570 0.005855 -0.006535 0.005523 0.011425 0.000241 4C 1f+1 0.009033 -0.003122 -0.008440 -0.005858 0.010351 -0.003855 4C 1f-1 0.010670 0.002069 -0.021647 -0.002039 0.019063 -0.001992 4C 1f+2 -0.002780 -0.002164 0.027223 0.009788 -0.012397 -0.005976 4C 1f-2 -0.002508 -0.001582 -0.007725 -0.006598 -0.001920 0.009099 4C 1f+3 0.001091 -0.003622 -0.000558 0.002365 -0.003770 0.006698 4C 1f-3 0.000991 -0.003900 -0.014082 -0.000309 0.006226 -0.000451 5C 1s -0.010560 -0.001207 -0.004691 -0.004361 -0.004035 0.000818 5C 2s -0.032133 -0.006250 -0.015059 -0.010450 -0.010279 0.002480 5C 3s 0.472607 0.152649 0.275827 -0.025160 0.041535 -0.030447 5C 4s -1.972634 -0.942974 -1.267091 0.474662 0.092576 0.063013 5C 5s 2.240635 1.107037 0.879846 1.241885 0.792114 0.429010 5C 1pz 0.050613 0.012743 0.051400 -0.052651 0.002618 -0.010795 5C 1px 0.062251 0.058490 -0.057044 0.026085 0.102368 0.063255 5C 1py -0.107604 0.001678 -0.079306 -0.001354 0.022048 0.021648 5C 2pz 0.247869 0.082820 0.132593 -0.204964 0.008569 -0.137589 5C 2px 0.122381 0.208712 -0.067714 0.161688 0.101292 0.437560 5C 2py -0.383210 -0.237777 -0.362352 0.142370 0.062091 0.159259 5C 3pz -0.693576 -0.960749 -0.483081 -0.904250 -0.117158 0.094232 5C 3px 0.348752 -0.874532 -0.643722 0.136547 -0.185152 0.167792 5C 3py 1.033457 1.180949 0.623861 0.057372 0.087386 0.323400 5C 1dz2 0.009258 0.000884 -0.000430 -0.004642 -0.000398 0.005778 5C 1dxz 0.001864 0.005584 0.007952 -0.004282 0.000294 -0.005241 5C 1dyz 0.002560 -0.004525 0.002561 -0.001471 -0.001721 -0.003291 5C 1dx2y2 -0.011513 -0.010202 -0.004441 -0.001343 -0.003521 -0.005310 5C 1dxy -0.005315 0.003643 -0.003200 0.005673 0.008526 0.008614 5C 2dz2 0.104318 -0.143334 0.212194 0.122216 -0.393609 -0.140980 5C 2dxz -0.422849 0.247546 0.135481 0.140636 0.273449 -0.017519 5C 2dyz 0.200420 0.082824 -0.042884 -0.253365 0.067699 0.077397 5C 2dx2y2 0.122899 0.234972 0.237799 0.134736 0.006695 -0.044893 5C 2dxy -0.076036 0.241088 0.265125 -0.068041 0.165546 -0.146520 5C 1f0 -0.004852 -0.009136 -0.011667 0.004509 -0.001335 0.007734 5C 1f+1 0.005101 0.001771 0.007566 -0.005097 0.003269 -0.009510 5C 1f-1 -0.003534 0.001242 0.001225 0.007778 -0.000554 0.003516 5C 1f+2 -0.022255 -0.002566 -0.008094 0.003590 0.004026 -0.001281 5C 1f-2 -0.021170 -0.013929 -0.007957 -0.001100 -0.009813 -0.013206 5C 1f+3 0.021113 0.009805 0.017364 -0.006899 0.000300 -0.004755 5C 1f-3 -0.019478 0.005359 -0.015582 0.001391 0.009187 0.007086 6C 1s 0.010637 -0.001498 0.004424 -0.004508 0.004216 0.000812 6C 2s 0.032445 -0.007222 0.014351 -0.010971 0.010728 0.002520 6C 3s -0.479083 0.172359 -0.275079 -0.011717 -0.040635 -0.034690 6C 4s 2.003175 -1.038309 1.276251 0.406385 -0.111126 0.090143 6C 5s -2.276470 1.143996 -0.810010 1.250988 -0.807447 0.437135 6C 1pz 0.050021 -0.018263 0.052994 0.050706 0.002998 0.011867 6C 1px 0.061722 -0.056331 -0.058248 -0.023674 0.098627 -0.067271 6C 1py -0.108238 0.001899 -0.078782 0.005381 0.021842 -0.024083 6C 2pz 0.248487 -0.091424 0.135470 0.197370 0.007272 0.141145 6C 2px 0.119361 -0.217646 -0.071762 -0.159004 0.077895 -0.440469 6C 2py -0.381305 0.253257 -0.358755 -0.125201 0.066877 -0.166402 6C 3pz -0.716362 0.985825 -0.421681 0.933929 -0.132149 -0.100310 6C 3px 0.305098 0.905253 -0.613290 -0.111473 -0.189153 -0.174467 6C 3py 1.091903 -1.231037 0.601140 -0.095084 0.088316 -0.308708 6C 1dz2 -0.009377 0.001178 0.000042 -0.004666 0.000578 0.005713 6C 1dxz -0.001945 0.006200 -0.007911 -0.003897 -0.000395 -0.005378 6C 1dyz -0.002375 -0.004331 -0.002718 -0.001298 0.001524 -0.003423 6C 1dx2y2 0.011824 -0.010565 0.004208 -0.001621 0.003262 -0.005305 6C 1dxy 0.005407 0.003305 0.003485 0.005511 -0.008080 0.008949 6C 2dz2 -0.104962 -0.148919 -0.211883 0.133025 0.385571 -0.153873 6C 2dxz 0.429788 0.251288 -0.121870 0.144523 -0.268731 -0.006614 6C 2dyz -0.204968 0.091984 0.032395 -0.251571 -0.057215 0.077369 6C 2dx2y2 -0.124783 0.239810 -0.223753 0.143193 -0.006275 -0.046574 6C 2dxy 0.077738 0.256171 -0.257139 -0.058049 -0.165225 -0.144463 6C 1f0 -0.004897 0.009473 -0.011361 -0.003986 -0.001445 -0.007875 6C 1f+1 0.005166 -0.002389 0.007699 0.004702 0.003476 0.009510 6C 1f-1 -0.003445 -0.000871 0.000862 -0.007814 -0.000772 -0.003579 6C 1f+2 -0.022321 0.003438 -0.008219 -0.003137 0.004087 0.000872 6C 1f-2 -0.021473 0.015064 -0.007914 0.001546 -0.008973 0.013311 6C 1f+3 0.021651 -0.010575 0.017582 0.005970 0.000183 0.004992 6C 1f-3 -0.019702 -0.004589 -0.015862 -0.000514 0.008923 -0.007640 7C 1s -0.000130 -0.003749 -0.006421 -0.003960 0.004207 0.001943 7C 2s 0.002076 -0.009783 -0.021750 -0.009117 0.013608 0.004418 7C 3s -0.148797 0.035175 0.422600 -0.052832 -0.263307 0.016760 7C 4s 1.021963 -0.120613 -2.169255 0.558550 1.306629 -0.284123 7C 5s 0.013684 1.932690 1.201033 1.110241 -0.853943 0.116307 7C 1pz 0.068186 0.002908 -0.090338 -0.022206 0.096076 0.017829 7C 1px -0.033708 -0.029591 0.049149 0.027194 -0.060024 -0.015280 7C 1py -0.027565 0.023830 -0.080570 0.058631 0.007389 -0.025939 7C 2pz 0.242723 0.239130 -0.235249 0.013524 0.195543 -0.063926 7C 2px -0.052771 -0.115958 -0.172789 0.213058 0.046583 -0.145646 7C 2py 0.012684 0.083151 -0.249659 0.170618 0.119341 -0.102627 7C 3pz -0.103992 2.422137 1.246764 -0.026289 -1.012170 0.533479 7C 3px 0.266258 -0.683230 -0.285786 -0.105950 0.133135 0.143340 7C 3py -0.378270 1.279171 0.791834 0.774165 -0.561530 0.260934 7C 1dz2 -0.007059 0.000630 0.004645 -0.000343 0.000571 0.004151 7C 1dxz -0.007359 0.002191 0.011942 0.003014 -0.011710 -0.003862 7C 1dyz 0.001896 -0.002685 -0.002007 -0.002276 -0.000285 0.000212 7C 1dx2y2 0.002532 -0.001594 -0.015433 0.005081 0.004738 -0.004560 7C 1dxy -0.000995 -0.000752 -0.000125 0.006803 0.002603 0.002211 7C 2dz2 0.334133 0.028791 0.055711 -0.147761 0.201191 0.109350 7C 2dxz 0.183896 0.047805 -0.151780 -0.151811 -0.066238 -0.154016 7C 2dyz -0.093598 0.171501 -0.392200 0.287044 -0.026925 -0.264744 7C 2dx2y2 0.151423 0.058224 0.029742 -0.108582 -0.190277 -0.165061 7C 2dxy 0.112328 -0.008920 0.270195 0.004985 0.344901 0.391604 7C 1f0 0.013279 -0.005846 -0.006880 -0.005296 0.011061 -0.000572 7C 1f+1 0.008636 0.002629 -0.007922 0.006112 0.010351 0.003754 7C 1f-1 0.010862 -0.002067 -0.021328 0.002708 0.018724 0.001447 7C 1f+2 -0.002729 0.001843 0.026677 -0.010971 -0.012089 0.006604 7C 1f-2 -0.002192 0.001268 -0.006839 0.006864 -0.001952 -0.008880 7C 1f+3 0.001311 0.003342 -0.000523 -0.002327 -0.004006 -0.006502 7C 1f-3 0.000656 0.004026 -0.014309 0.001024 0.005927 0.000087 8C 1s 0.003667 0.000278 0.001977 0.001535 0.000191 0.000577 8C 2s 0.006245 0.002356 0.002925 0.002693 0.000933 0.001553 8C 3s 0.088958 -0.084873 0.073970 0.031437 -0.018656 0.014851 8C 4s -0.675893 0.397345 -0.510582 -0.237121 0.080005 -0.117918 8C 5s 2.170726 -2.074078 1.431308 -1.013665 0.385265 -0.351359 8C 1pz -0.011273 -0.030940 0.047541 0.007463 0.000231 0.009821 8C 1px -0.058662 -0.069169 0.017354 0.023962 0.043248 0.015843 8C 1py -0.065266 -0.039821 0.000715 -0.012625 0.035548 -0.002136 8C 2pz 0.145200 -0.278737 0.288451 0.359580 0.087480 -0.057147 8C 2px 0.075763 -0.491844 -0.007639 0.222387 0.431857 -0.002916 8C 2py -0.680647 0.087478 -0.370298 0.001870 0.260247 -0.121120 8C 3pz -0.207724 -0.059909 -0.035948 -0.211316 0.066772 0.181456 8C 3px -0.919047 -0.370372 0.282535 0.265011 0.206142 0.114381 8C 3py 0.118337 -0.704628 0.382540 -0.442170 0.350945 -0.000138 8C 1dz2 -0.001517 0.000052 0.006990 -0.005519 -0.006210 0.002272 8C 1dxz -0.002080 -0.006046 0.002706 0.002160 0.006346 -0.000372 8C 1dyz -0.000134 0.001772 -0.007455 -0.000945 0.003707 -0.001376 8C 1dx2y2 -0.005246 0.000334 0.001789 -0.001075 -0.000282 0.002061 8C 1dxy -0.006513 -0.005728 0.001236 0.002664 0.001152 -0.002215 8C 2dz2 0.224215 0.203833 -0.089043 0.173540 -0.137948 -0.083490 8C 2dxz -0.448525 -0.526280 -0.274496 0.356004 0.715255 -0.124416 8C 2dyz 0.421977 -0.268106 0.231103 -0.239734 -0.055667 0.173008 8C 2dx2y2 0.203645 -0.316421 -0.009591 0.506026 0.321613 -0.174688 8C 2dxy -0.076430 -0.296302 0.283343 0.255392 0.106548 -0.031405 8C 1f0 -0.001524 0.022649 -0.008184 -0.023907 -0.018969 0.005179 8C 1f+1 -0.006255 -0.013948 -0.000060 -0.003838 0.011462 0.002347 8C 1f-1 -0.015833 -0.010116 -0.012956 0.018351 0.023556 -0.009380 8C 1f+2 -0.003956 -0.002959 -0.007028 0.000301 0.009712 -0.005621 8C 1f-2 -0.000638 0.012174 -0.001740 0.001583 -0.008815 -0.001318 8C 1f+3 0.026404 0.014340 0.006582 -0.012928 -0.024819 0.005618 8C 1f-3 -0.000108 0.020068 -0.000895 -0.006059 -0.016422 -0.001187 9C 1s 0.001132 0.003517 -0.002281 0.001740 0.001743 -0.000515 9C 2s 0.001198 0.008632 -0.002431 0.003152 0.002429 -0.000644 9C 3s 0.054477 0.013097 -0.112132 0.033967 0.060167 -0.020686 9C 4s -0.358029 -0.307906 0.752653 -0.266215 -0.442246 0.129230 9C 5s 0.529410 -3.133422 -2.443982 -0.781776 1.796419 -0.627600 9C 1pz 0.029516 0.011731 -0.000606 0.018771 0.044159 0.022908 9C 1px -0.019311 0.009765 -0.001559 0.006551 -0.012825 -0.012944 9C 1py 0.011395 0.067424 -0.067092 0.024978 -0.026926 -0.038555 9C 2pz 0.430339 -0.030837 -0.370366 -0.012539 0.578691 0.077552 9C 2px -0.047921 0.311004 0.200627 0.005230 -0.220352 -0.026640 9C 2py -0.077374 0.341253 -0.649797 0.473897 -0.091297 -0.364013 9C 3pz -0.029833 0.597018 0.531287 0.363879 -0.093578 0.232737 9C 3px -0.171994 0.635871 0.064495 0.239139 -0.130695 -0.103118 9C 3py 0.159114 0.680347 -0.094543 -0.056378 -0.426791 -0.166890 9C 1dz2 -0.005570 0.004375 -0.004712 0.005123 0.002061 0.000793 9C 1dxz -0.002580 -0.005934 0.003328 -0.001873 0.000657 0.001661 9C 1dyz 0.006831 -0.000241 -0.002670 -0.001963 0.004664 -0.000426 9C 1dx2y2 -0.001495 -0.005307 -0.000608 -0.001707 0.004443 0.001912 9C 1dxy -0.002652 0.000553 -0.005931 0.005125 -0.004538 -0.001312 9C 2dz2 0.229980 -0.142719 0.335085 -0.456036 -0.004782 0.168228 9C 2dxz 0.162582 0.079096 0.751064 -0.404168 -0.125837 0.266753 9C 2dyz -0.279796 -0.234210 0.237525 0.016673 -0.061286 0.124791 9C 2dx2y2 0.541431 -0.378957 0.059657 -0.401303 0.534854 0.291887 9C 2dxy -0.359009 0.353018 -0.301495 0.370304 -0.555056 -0.366526 9C 1f0 -0.028393 0.022791 -0.023225 0.028382 -0.030488 -0.023617 9C 1f+1 0.006243 -0.002316 0.016436 -0.009218 0.007685 0.009518 9C 1f-1 0.014614 -0.003491 -0.015629 -0.000794 0.022843 0.003720 9C 1f+2 -0.004769 -0.010394 -0.008257 0.003616 0.006786 0.000147 9C 1f-2 -0.009583 0.003904 -0.014893 0.012194 -0.008260 -0.008628 9C 1f+3 -0.010544 0.011233 -0.028447 0.021673 -0.012033 -0.019373 9C 1f-3 0.004471 0.009078 0.013737 -0.004669 -0.005778 0.001010 10H 1s -0.016522 -0.007047 0.014304 -0.003698 -0.025781 0.006394 10H 2s 0.320915 0.670939 -0.571471 0.036354 0.759979 -0.144530 10H 3s 0.084869 0.167411 -0.033280 0.140914 0.048555 -0.003207 10H 1pz 0.011040 0.027283 -0.052086 -0.003548 0.035434 0.002914 10H 1px -0.015854 -0.045124 0.025280 -0.004609 -0.044155 0.009557 10H 1py 0.009699 0.018790 0.003036 0.008879 0.030397 -0.014771 11H 1s -0.005863 -0.015192 -0.037117 -0.010039 -0.018864 0.016793 11H 2s 0.597942 0.178371 0.801341 0.665560 0.442657 -0.514581 11H 3s -0.155050 0.018572 -0.345396 -0.310973 0.179790 0.103577 11H 1pz 0.038163 0.008623 0.058788 0.047765 0.017820 -0.029977 11H 1px 0.037859 0.012288 0.047176 0.032503 0.031192 -0.031147 11H 1py -0.013323 0.007273 -0.018373 -0.013780 -0.006930 0.011317 12H 1s 0.017300 0.021185 0.030408 0.026149 0.039140 -0.032450 12H 2s -0.654134 -0.728188 -0.833520 -0.777459 -0.804667 0.752652 12H 3s 0.284113 0.195104 -0.261158 0.293661 0.205660 0.065376 12H 1pz -0.008114 0.012738 0.007246 -0.000627 0.000659 -0.003075 12H 1px -0.019884 -0.023731 -0.028836 -0.021588 -0.028991 0.025229 12H 1py -0.063433 -0.045285 -0.053369 -0.071773 -0.063480 0.058930 13H 1s -0.014947 0.019052 -0.007984 0.006637 0.030248 0.004428 13H 2s 0.399291 -0.539090 0.288535 -0.041063 -0.604854 0.117305 13H 3s 0.395490 0.150730 -0.066782 0.179565 0.043357 -0.049733 13H 1pz 0.028395 -0.040311 0.010171 -0.007748 -0.041890 0.000466 13H 1px -0.008494 0.019652 -0.011525 0.004921 0.018571 -0.006631 13H 1py -0.001577 0.007674 -0.017003 0.017676 0.011335 -0.001053 14H 1s 0.026364 -0.041626 -0.006138 0.018491 -0.044738 -0.007578 14H 2s -0.386068 1.000084 -0.051765 -0.670592 1.065244 0.162482 14H 3s -0.108638 0.214652 0.375401 0.284017 -0.063839 -0.060173 14H 1pz -0.013614 0.038155 -0.009509 -0.037854 0.052345 0.020603 14H 1px -0.010641 0.059069 -0.014912 -0.044914 0.077961 0.017553 14H 1py -0.015017 0.008888 0.011667 0.001445 -0.007603 -0.007396 15H 1s -0.022372 0.013590 0.008368 -0.009895 0.015783 -0.002282 15H 2s 0.540573 -0.230534 0.117913 0.641090 -0.471678 -0.230631 15H 3s 0.033686 -0.016046 0.030486 -0.321369 -0.010654 0.167806 15H 1pz -0.021008 0.017024 -0.002243 -0.022138 0.023546 0.008360 15H 1px 0.026806 -0.015010 0.001815 0.018594 -0.022632 0.000617 15H 1py -0.031565 0.004258 -0.020025 -0.051796 0.028397 0.018038 16H 1s -0.005956 0.009917 0.014885 -0.000887 -0.014043 0.004289 16H 2s -0.031664 -0.225284 0.105078 -0.041451 -0.034679 -0.008468 16H 3s -0.041102 -0.016710 -0.083451 0.132882 0.002057 -0.049516 16H 1pz -0.024039 -0.007405 -0.026875 -0.006922 0.009046 -0.004545 16H 1px -0.011135 0.040584 -0.051985 0.001346 0.025405 -0.021617 16H 1py 0.055485 -0.027654 0.029732 0.024373 0.012683 -0.004254 17H 1s 0.001881 -0.001886 -0.005150 0.000677 0.011122 -0.004371 17H 2s 0.066575 -0.111331 0.051786 -0.033519 0.041046 -0.033760 17H 3s -0.051034 0.197804 -0.096696 0.126314 0.037500 0.235963 17H 1pz 0.052536 -0.035483 0.049863 0.008433 -0.011241 -0.039037 17H 1px -0.056300 -0.015514 -0.004712 0.001732 -0.007786 0.039545 17H 1py -0.004452 -0.054932 0.058425 0.016255 -0.033599 0.015674 18H 1s -0.001756 -0.002722 0.004670 0.000576 -0.010986 -0.003561 18H 2s -0.055453 -0.109416 -0.057488 -0.032282 -0.036648 -0.034027 18H 3s 0.050383 0.200560 0.103635 0.117631 -0.025389 0.238290 18H 1pz 0.051717 0.031828 0.047842 -0.010707 -0.008573 0.039945 18H 1px -0.055286 0.018506 -0.002731 -0.000937 -0.009416 -0.040123 18H 1py -0.003819 0.055425 0.060768 -0.018951 -0.033955 -0.013579 19H 1s 0.005743 0.010966 -0.014890 -0.000179 0.014602 0.003598 19H 2s 0.035095 -0.229442 -0.116670 -0.037042 0.039817 -0.010720 19H 3s 0.038271 -0.018419 0.088365 0.133001 -0.004888 -0.042914 19H 1pz -0.024303 0.009609 -0.026928 0.008975 0.008949 0.004025 19H 1px -0.013206 -0.041397 -0.054700 0.000579 0.024592 0.019633 19H 1py 0.051919 0.024082 0.026979 -0.026008 0.013197 0.004078 20H 1s 0.023418 0.015419 -0.008639 -0.009901 -0.016359 -0.001842 20H 2s -0.563810 -0.275594 -0.087503 0.649609 0.469849 -0.242889 20H 3s -0.030087 -0.000388 -0.049942 -0.317314 0.021406 0.164056 20H 1pz -0.021721 -0.018932 -0.001390 0.022477 0.023636 -0.008984 20H 1px 0.027275 0.016103 0.001300 -0.018956 -0.022638 0.000228 20H 1py -0.033046 -0.006908 -0.017281 0.052621 0.027850 -0.018687 21H 1s -0.026856 -0.042950 0.006155 0.018554 0.043743 -0.009121 21H 2s 0.391788 1.036679 0.039303 -0.682115 -1.042355 0.200856 21H 3s 0.109196 0.223021 -0.353583 0.301755 0.064416 -0.067914 21H 1pz -0.013512 -0.039896 -0.008447 0.039027 0.051170 -0.022487 21H 1px -0.010940 -0.061299 -0.013934 0.045822 0.076014 -0.020137 21H 1py -0.015146 -0.009001 0.011331 -0.001829 -0.007401 0.007537 22H 1s 0.014362 0.017945 0.008598 0.006043 -0.029512 0.005792 22H 2s -0.378988 -0.504599 -0.308394 -0.019263 0.593981 0.084092 22H 3s -0.404321 0.147368 0.077245 0.174743 -0.049858 -0.046093 22H 1pz 0.027423 0.038834 0.011666 0.006371 -0.041128 0.001772 22H 1px -0.007674 -0.018012 -0.012512 -0.004111 0.018308 0.005476 22H 1py -0.000676 -0.005891 -0.018033 -0.016574 0.011236 0.000022 23H 1s -0.016551 0.020768 -0.028546 0.027821 -0.039783 -0.031581 23H 2s 0.630098 -0.727426 0.778072 -0.827534 0.814165 0.741066 23H 3s -0.298082 0.192148 0.274858 0.280067 -0.207896 0.067815 23H 1pz -0.007991 -0.013058 0.007039 -0.000337 0.001139 0.003282 23H 1px -0.018193 0.023694 -0.026962 0.022390 -0.028689 -0.024344 23H 1py -0.062414 0.045717 -0.048733 0.074754 -0.064755 -0.058149 24H 1s 0.004905 -0.016313 0.037055 -0.012541 0.019246 0.017276 24H 2s -0.581393 0.205052 -0.777324 0.709306 -0.458781 -0.523032 24H 3s 0.147133 0.011812 0.324345 -0.322076 -0.183388 0.109381 24H 1pz 0.037388 -0.011094 0.056213 -0.050613 0.018646 0.030739 24H 1px 0.037180 -0.013249 0.046618 -0.035536 0.031938 0.031695 24H 1py -0.012093 -0.006633 -0.017704 0.014314 -0.007045 -0.011183 25H 1s 0.016556 -0.005401 -0.014702 -0.003449 0.025016 0.005203 25H 2s -0.328451 0.641906 0.594917 0.018994 -0.750367 -0.111777 25H 3s -0.092891 0.170070 0.052875 0.134933 -0.047867 0.004216 25H 1pz 0.011991 -0.026051 -0.052436 0.005292 0.034969 -0.004513 25H 1px -0.016027 0.043929 0.026697 0.004297 -0.043606 -0.008027 25H 1py 0.009715 -0.018073 0.002321 -0.009706 0.030210 0.014044 26O 1s 0.002909 0.002582 -0.008942 0.003931 0.004396 0.001796 26O 2s 0.007604 0.006519 -0.019608 0.007171 0.009304 0.003721 26O 3s -0.020849 -0.012734 -0.010832 0.033953 0.008481 0.008918 26O 4s -0.064269 -0.056491 0.533411 -0.357748 -0.283789 -0.130779 26O 5s 0.425972 0.175492 -1.307967 0.907280 0.906310 0.152173 26O 1pz -0.009996 -0.059330 0.016064 0.034228 -0.047119 0.012194 26O 1px -0.015031 -0.013195 0.016838 -0.017481 -0.048838 0.023666 26O 1py -0.040538 -0.029545 0.064193 -0.039349 0.008094 -0.032677 26O 2pz -0.011440 -0.133834 0.064409 -0.000491 -0.110728 -0.005645 26O 2px -0.026786 -0.105894 0.045697 -0.030257 -0.112191 0.041429 26O 2py -0.067812 -0.068224 0.125404 -0.079009 -0.032222 -0.025649 26O 3pz 0.050923 0.832245 -0.786750 0.268671 0.428299 0.416551 26O 3px -0.409948 0.568446 0.077738 0.147222 -0.113515 0.188028 26O 3py 0.080293 0.600091 -0.283521 0.342289 0.468175 -0.386016 26O 1dz2 0.000434 -0.001420 -0.000933 -0.002729 -0.000824 0.001011 26O 1dxz 0.001558 -0.000846 -0.004365 0.000496 -0.001833 0.003893 26O 1dyz 0.000283 0.001638 0.001553 0.000807 -0.001368 0.000780 26O 1dx2y2 -0.002366 -0.000225 -0.000823 -0.000435 -0.005823 0.005612 26O 1dxy -0.002162 0.002863 0.003831 -0.000768 0.002577 -0.005601 26O 2dz2 -0.073005 0.011623 0.009938 -0.067177 -0.002023 -0.019197 26O 2dxz -0.006667 -0.036468 -0.030385 -0.010227 0.007532 0.008704 26O 2dyz 0.052340 0.059876 -0.005196 0.021828 -0.008173 0.019733 26O 2dx2y2 -0.023681 0.006500 -0.036020 -0.022202 0.010007 0.009018 26O 2dxy 0.002123 0.004459 -0.025821 -0.010443 0.049672 -0.050913 26O 1f0 -0.004051 -0.000301 0.000450 -0.003758 -0.001253 -0.000552 26O 1f+1 0.001434 0.000182 -0.003252 0.000815 0.002294 -0.000044 26O 1f-1 0.001207 -0.000077 -0.002873 -0.000124 0.000765 0.000657 26O 1f+2 0.000659 0.000813 -0.000934 0.001087 0.000712 0.000620 26O 1f-2 -0.000045 -0.002132 -0.002468 -0.000845 0.000924 -0.000411 26O 1f+3 0.000071 0.000570 -0.003123 -0.001430 0.003484 -0.002736 26O 1f-3 0.001427 0.002047 -0.004332 -0.000861 0.001215 0.000867 27O 1s -0.001628 0.005319 0.004381 -0.002258 -0.001620 -0.004965 27O 2s -0.001246 0.009667 0.009028 -0.002019 -0.003344 -0.008123 27O 3s -0.054009 0.046777 0.012669 -0.056756 -0.004901 -0.056190 27O 4s 0.316840 -0.487473 -0.330305 0.436746 0.100050 0.570410 27O 5s -0.544888 0.869330 1.236467 -1.573172 -0.405163 -2.154257 27O 1pz 0.034880 -0.024521 -0.036178 -0.060274 -0.026603 -0.016886 27O 1px 0.016532 0.041839 -0.034479 0.023864 0.031999 0.061551 27O 1py 0.011385 -0.025785 -0.009091 0.001778 -0.050156 0.048894 27O 2pz 0.096723 -0.123084 -0.089847 -0.066080 -0.019174 0.010780 27O 2px -0.026583 0.052614 -0.104510 0.050577 0.057911 0.149101 27O 2py -0.004469 -0.000652 0.035679 -0.020586 -0.096196 0.012556 27O 3pz 0.116604 0.218947 0.374270 0.005863 -0.299931 -0.262065 27O 3px -0.152979 -0.180878 -0.198195 0.316395 0.097002 0.009231 27O 3py 0.158428 -0.405593 -0.424022 0.037995 0.021784 0.254315 27O 1dz2 -0.000948 0.000349 0.001886 0.000223 -0.001922 -0.001982 27O 1dxz 0.008480 -0.005296 -0.003461 -0.001150 -0.005204 -0.000007 27O 1dyz -0.003864 0.000921 0.003504 -0.003463 0.000494 -0.003566 27O 1dx2y2 0.001255 -0.002858 -0.002869 0.002019 -0.000032 -0.000390 27O 1dxy -0.000489 -0.003143 -0.001323 -0.001971 -0.003643 0.000591 27O 2dz2 -0.065479 0.002406 0.047580 0.053884 -0.002512 -0.016746 27O 2dxz 0.015062 -0.022523 0.006378 0.007223 -0.025502 -0.006523 27O 2dyz -0.031289 0.059811 -0.009919 -0.078855 -0.006753 -0.047484 27O 2dx2y2 0.050508 -0.015020 0.061517 0.000270 -0.003666 -0.063263 27O 2dxy -0.019925 0.015986 -0.048842 -0.005000 -0.011426 0.026690 27O 1f0 -0.003327 0.001553 -0.000428 0.002654 0.000599 0.000581 27O 1f+1 0.004398 0.001020 0.001693 -0.001017 0.002417 0.000685 27O 1f-1 -0.000535 0.001860 -0.001476 -0.002424 0.000154 -0.000160 27O 1f+2 0.004066 0.000264 -0.000265 -0.001036 -0.001682 -0.001192 27O 1f-2 -0.000731 0.002020 -0.000681 0.001883 0.000071 0.000829 27O 1f+3 0.006457 0.000639 0.004589 0.000289 0.001513 -0.003173 27O 1f-3 -0.001979 -0.001363 0.001406 -0.000291 -0.002200 -0.002518 28O 1s 0.003066 0.010632 -0.004635 -0.000368 0.001841 0.001535 28O 2s 0.006729 0.019537 -0.010888 0.001068 0.004612 0.002310 28O 3s 0.004474 0.086292 0.011839 -0.033311 -0.010969 0.022290 28O 4s -0.194919 -0.909753 0.248338 0.236981 -0.084851 -0.214495 28O 5s 0.557948 2.317223 -1.453363 -1.183010 0.702406 0.783727 28O 1pz 0.035253 0.027289 -0.003609 0.021942 0.064986 -0.040186 28O 1px -0.010531 0.018555 0.013968 -0.029418 0.005325 0.003677 28O 1py -0.002037 0.003031 -0.063021 -0.044220 -0.025763 0.060692 28O 2pz 0.085073 -0.012314 -0.002000 0.105408 0.117460 -0.072031 28O 2px 0.028562 -0.011200 -0.071443 -0.046739 0.069384 0.024795 28O 2py -0.044673 -0.083820 -0.152433 -0.116345 -0.023459 0.065727 28O 3pz -0.233812 -0.162359 0.525725 -0.228950 -0.339250 -0.074690 28O 3px -0.055781 0.556750 -0.307030 -0.324274 0.183744 -0.040395 28O 3py 0.108313 0.322955 0.089920 0.392030 -0.197150 0.444670 28O 1dz2 0.002071 0.002353 0.004043 0.001196 0.004562 -0.004692 28O 1dxz 0.000114 0.003372 -0.003189 -0.001048 -0.000330 0.002177 28O 1dyz -0.003280 -0.000155 -0.004433 0.002507 -0.002990 0.002914 28O 1dx2y2 0.000662 -0.002308 0.001126 0.000860 -0.000496 0.000776 28O 1dxy 0.003301 0.000899 0.004555 0.002060 0.004200 -0.006705 28O 2dz2 -0.027534 -0.024171 -0.043694 -0.016041 -0.011098 0.023313 28O 2dxz -0.023592 -0.007488 0.019975 0.024505 -0.054484 0.030219 28O 2dyz 0.026887 -0.069825 -0.024187 0.032871 0.028015 -0.011858 28O 2dx2y2 -0.023533 0.010249 -0.087987 -0.014629 -0.009408 0.058039 28O 2dxy 0.021060 -0.032845 0.015639 0.014319 0.033001 -0.038851 28O 1f0 0.002972 0.000363 -0.002991 0.001264 0.003692 -0.001557 28O 1f+1 -0.000555 -0.000712 -0.004846 0.000345 0.001446 0.001443 28O 1f-1 -0.000248 -0.001930 -0.002709 -0.002242 0.000733 0.001403 28O 1f+2 -0.002294 0.001205 0.007828 0.001671 -0.005502 0.000077 28O 1f-2 0.002221 0.000493 0.001351 0.001973 0.003229 -0.003121 28O 1f+3 0.000372 -0.000627 0.004732 0.001865 -0.002148 -0.001808 28O 1f-3 0.001980 0.000055 0.001407 0.000374 0.002304 -0.002683 29O 1s -0.005724 0.002837 -0.000691 -0.001510 0.000551 -0.000477 29O 2s -0.012974 0.003962 -0.000351 -0.004627 0.000985 -0.001638 29O 3s -0.000544 0.043135 -0.023248 0.023277 0.005868 0.010178 29O 4s 0.260426 -0.372157 0.161062 -0.058865 -0.054683 -0.029775 29O 5s -0.631156 0.963046 -0.374557 0.163149 0.109718 0.064692 29O 1pz 0.009335 0.006738 -0.001640 -0.000440 -0.005340 0.001234 29O 1px -0.019319 -0.012108 0.010296 -0.001854 -0.004738 0.004726 29O 1py 0.000895 -0.013176 0.000155 0.006801 0.005750 0.011135 29O 2pz 0.035659 -0.021439 -0.018300 -0.001906 0.030353 -0.009746 29O 2px -0.043530 0.069301 -0.035396 0.012300 0.015394 0.016954 29O 2py -0.008991 -0.011938 -0.015171 0.010014 0.004263 0.019558 29O 3pz -0.247037 -0.022847 0.059604 0.017919 -0.117459 0.106787 29O 3px 0.265139 -0.409146 0.211568 -0.149805 -0.110714 -0.090638 29O 3py 0.066222 -0.145677 0.074944 -0.151679 0.005864 -0.163336 29O 1dz2 0.001774 -0.002321 0.003006 0.001070 -0.001006 -0.001259 29O 1dxz 0.001523 -0.000578 0.001335 0.000410 -0.000048 0.001127 29O 1dyz -0.002179 -0.000435 0.000934 0.000020 -0.001623 0.001466 29O 1dx2y2 -0.000803 -0.001470 0.001389 -0.000199 -0.000204 0.001604 29O 1dxy -0.000257 -0.001359 0.000551 -0.001216 -0.000842 -0.000774 29O 2dz2 0.059075 0.018061 0.016218 0.012462 0.002979 0.003816 29O 2dxz -0.007458 -0.046482 0.033245 0.009633 -0.040746 -0.004888 29O 2dyz -0.060081 0.011288 -0.014449 -0.014051 -0.022689 0.005392 29O 2dx2y2 -0.024365 -0.084221 0.042098 -0.005185 -0.027391 -0.012364 29O 2dxy 0.050103 -0.053845 0.082957 0.028991 -0.019154 0.000687 29O 1f0 0.000929 -0.001591 -0.000796 0.000571 0.000492 -0.000406 29O 1f+1 -0.000998 -0.000634 0.000541 0.000017 -0.000379 -0.001110 29O 1f-1 0.000931 -0.002388 -0.000404 0.000220 0.001317 -0.001287 29O 1f+2 0.000595 0.002306 -0.000129 -0.000674 0.000544 -0.000055 29O 1f-2 -0.000146 0.000179 0.001599 0.000852 -0.001516 0.002594 29O 1f+3 -0.000833 -0.000035 -0.000477 -0.000525 -0.000423 -0.001282 29O 1f-3 0.000640 -0.000375 -0.000095 0.001911 0.000737 0.000710 30O 1s 0.008119 0.003734 -0.001571 0.005214 0.001701 0.004989 30O 2s 0.017185 0.006972 -0.002458 0.009392 0.003017 0.007414 30O 3s 0.018747 0.029205 -0.024897 0.046100 0.013995 0.071328 30O 4s -0.542601 -0.389679 0.191798 -0.471217 -0.142519 -0.641011 30O 5s 1.516847 1.318521 -0.391553 1.238610 0.291201 2.266062 30O 1pz -0.036556 -0.006149 0.029911 -0.031775 0.027019 0.001692 30O 1px 0.005090 0.013678 -0.009264 0.029738 0.030095 0.078675 30O 1py -0.019924 0.025430 -0.020897 -0.031737 0.067239 -0.001328 30O 2pz -0.120040 -0.025559 0.015103 -0.137169 0.035360 -0.033304 30O 2px 0.026805 0.072918 0.033515 -0.005669 0.036740 0.123919 30O 2py 0.044200 0.105574 -0.083430 -0.019097 0.156949 0.096238 30O 3pz 0.257244 0.561217 0.095978 0.616156 0.324110 0.011342 30O 3px 0.209369 0.255154 -0.132832 0.190120 0.122362 0.170201 30O 3py -0.679702 -0.455560 0.377180 0.011310 -0.382149 -0.435445 30O 1dz2 -0.003349 0.006120 -0.000949 0.000358 0.007588 0.001341 30O 1dxz 0.001891 -0.002512 -0.001286 0.000352 -0.002918 0.000007 30O 1dyz 0.003999 -0.000132 -0.003107 0.000485 -0.001636 0.003178 30O 1dx2y2 -0.000600 0.000835 -0.001451 0.000153 0.000864 -0.000894 30O 1dxy 0.004001 -0.001445 0.000530 0.000765 -0.003834 0.000912 30O 2dz2 -0.013483 0.015694 -0.008796 0.037338 -0.013262 0.009053 30O 2dxz -0.017691 0.008632 -0.009342 -0.013018 -0.064369 -0.031096 30O 2dyz -0.033237 -0.030335 -0.039912 0.014093 0.025126 0.028626 30O 2dx2y2 0.000260 0.026678 0.030322 0.014511 -0.033743 0.005682 30O 2dxy 0.045343 -0.016942 0.004950 0.025673 -0.014365 0.062697 30O 1f0 0.001712 0.001233 0.002223 -0.000831 0.000421 0.000227 30O 1f+1 0.001560 -0.001917 0.000335 0.000560 -0.003612 -0.000620 30O 1f-1 0.000691 -0.002787 0.000635 0.001425 -0.002151 -0.001285 30O 1f+2 -0.005050 -0.000666 -0.001254 0.000713 -0.000340 -0.002546 30O 1f-2 -0.004862 -0.001002 -0.003899 0.001169 0.001999 0.000814 30O 1f+3 0.000183 -0.002686 -0.000712 -0.002172 -0.000068 -0.001311 30O 1f-3 -0.004283 -0.001281 -0.003492 -0.000558 -0.000446 -0.000928 31O 1s -0.008384 0.003795 0.001821 0.005152 -0.001655 0.005022 31O 2s -0.017789 0.007190 0.002915 0.009284 -0.003010 0.007454 31O 3s -0.018695 0.027389 0.027155 0.045238 -0.012358 0.071973 31O 4s 0.556515 -0.386263 -0.215323 -0.464770 0.129437 -0.644977 31O 5s -1.561826 1.335566 0.441969 1.238063 -0.222000 2.271069 31O 1pz -0.037728 0.004198 0.030832 0.030517 0.026951 -0.002329 31O 1px 0.004862 -0.014247 -0.009213 -0.029349 0.026469 -0.079554 31O 1py -0.018313 -0.025825 -0.019831 0.032857 0.066409 -0.001229 31O 2pz -0.124686 0.022374 0.020375 0.137050 0.035815 0.032409 31O 2px 0.028725 -0.077803 0.035064 0.003582 0.029641 -0.124166 31O 2py 0.050740 -0.105845 -0.082626 0.023555 0.153433 -0.102601 31O 3pz 0.277769 -0.552127 0.044070 -0.614778 0.324829 -0.020694 31O 3px 0.214758 -0.262300 -0.143973 -0.188813 0.117839 -0.174492 31O 3py -0.726588 0.439495 0.383711 -0.036215 -0.379394 0.451155 31O 1dz2 0.003388 0.006299 0.001123 0.000284 -0.007398 0.001593 31O 1dxz -0.001901 -0.002597 0.001166 0.000328 0.002850 -0.000063 31O 1dyz -0.004023 -0.000235 0.003040 0.000394 0.001744 0.003157 31O 1dx2y2 0.000637 0.000803 0.001494 0.000065 -0.000888 -0.000834 31O 1dxy -0.004110 -0.001564 -0.000557 0.000775 0.003817 0.000783 31O 2dz2 0.014243 0.013601 0.010874 0.036713 0.013644 0.009099 31O 2dxz 0.017722 0.004889 0.009485 -0.013658 0.062134 -0.032443 31O 2dyz 0.034445 -0.032150 0.039763 0.012564 -0.024984 0.029946 31O 2dx2y2 -0.000931 0.026973 -0.029484 0.015721 0.033700 0.004486 31O 2dxy -0.045235 -0.015537 -0.006357 0.025919 0.016061 0.061956 31O 1f0 0.001794 -0.001457 0.002233 0.000734 0.000399 -0.000191 31O 1f+1 0.001573 0.002017 0.000364 -0.000596 -0.003537 0.000737 31O 1f-1 0.000744 0.002865 0.000636 -0.001485 -0.002055 0.001371 31O 1f+2 -0.005104 0.000849 -0.001321 -0.000626 -0.000192 0.002487 31O 1f-2 -0.004938 0.001324 -0.003959 -0.000982 0.001966 -0.000967 31O 1f+3 0.000127 0.002574 -0.000581 0.002192 -0.000015 0.001327 31O 1f-3 -0.004325 0.001572 -0.003469 0.000726 -0.000377 0.000862 32O 1s 0.005561 0.002990 0.000744 -0.001554 -0.000669 -0.000509 32O 2s 0.012702 0.004327 0.000336 -0.004668 -0.001232 -0.001728 32O 3s -0.001160 0.042776 0.025859 0.022131 -0.006351 0.010492 32O 4s -0.243660 -0.377386 -0.178223 -0.050690 0.063353 -0.030330 32O 5s 0.589573 0.977658 0.419264 0.144738 -0.132288 0.066141 32O 1pz 0.009735 -0.006694 -0.001996 0.000689 -0.005907 -0.000911 32O 1px -0.019583 0.010995 0.010564 0.001581 -0.004843 -0.004252 32O 1py 0.000492 0.013384 0.000430 -0.006783 0.005112 -0.011640 32O 2pz 0.033814 0.022640 -0.017947 0.003224 0.029483 0.008761 32O 2px -0.040968 -0.070303 -0.037480 -0.010481 0.015289 -0.017946 32O 2py -0.009278 0.013157 -0.016422 -0.009287 0.004464 -0.020008 32O 3pz -0.232870 0.023994 0.064837 -0.024486 -0.116931 -0.104946 32O 3px 0.256638 0.413709 0.228665 0.137449 -0.108041 0.096378 32O 3py 0.058448 0.147959 0.092237 0.149535 0.003605 0.165998 32O 1dz2 -0.001800 -0.002206 -0.002984 0.001236 0.000949 -0.001355 32O 1dxz -0.001526 -0.000556 -0.001364 0.000452 0.000035 0.001095 32O 1dyz 0.001993 -0.000642 -0.001168 0.000082 0.001714 0.001386 32O 1dx2y2 0.000823 -0.001427 -0.001471 -0.000133 0.000273 0.001562 32O 1dxy 0.000177 -0.001395 -0.000683 -0.001174 0.000757 -0.000793 32O 2dz2 -0.059242 0.021369 -0.014746 0.013770 -0.004261 0.003459 32O 2dxz 0.004940 -0.048612 -0.033479 0.011012 0.039260 -0.005121 32O 2dyz 0.056331 0.007159 0.010587 -0.013679 0.023950 0.004913 32O 2dx2y2 0.025169 -0.083609 -0.042922 -0.003426 0.025293 -0.013456 32O 2dxy -0.049325 -0.052749 -0.084180 0.032732 0.019059 -0.001400 32O 1f0 0.000797 0.001490 -0.000820 -0.000529 0.000454 0.000307 32O 1f+1 -0.000935 0.000663 0.000535 -0.000013 -0.000330 0.001164 32O 1f-1 0.000974 0.002481 -0.000426 -0.000218 0.001413 0.001239 32O 1f+2 0.000567 -0.002492 -0.000166 0.000659 0.000551 0.000047 32O 1f-2 -0.000170 -0.000362 0.001574 -0.000882 -0.001582 -0.002486 32O 1f+3 -0.000787 0.000065 -0.000417 0.000547 -0.000406 0.001221 32O 1f-3 0.000560 0.000471 -0.000175 -0.001914 0.000657 -0.000779 33O 1s -0.003284 0.010477 0.004894 -0.000583 -0.001877 0.001627 33O 2s -0.007110 0.019151 0.011470 0.000537 -0.004683 0.002542 33O 3s -0.006729 0.086732 -0.011585 -0.032280 0.010777 0.021820 33O 4s 0.216762 -0.902263 -0.256489 0.245337 0.087295 -0.218889 33O 5s -0.612005 2.295715 1.430108 -1.237296 -0.713093 0.815288 33O 1pz 0.034820 -0.026848 -0.005179 -0.021703 0.065623 0.038120 33O 1px -0.010653 -0.019774 0.015955 0.028405 0.005851 -0.003347 33O 1py -0.001585 -0.002085 -0.060531 0.047523 -0.026927 -0.060837 33O 2pz 0.083548 0.014532 -0.005260 -0.105453 0.117257 0.068734 33O 2px 0.028482 0.009707 -0.064938 0.049334 0.070459 -0.026396 33O 2py -0.043932 0.086543 -0.143649 0.123742 -0.023935 -0.067210 33O 3pz -0.225313 0.152385 0.535620 0.204396 -0.326205 0.088221 33O 3px -0.055202 -0.553613 -0.305659 0.333555 0.188425 0.035277 33O 3py 0.126654 -0.328081 0.065187 -0.392473 -0.205927 -0.436231 33O 1dz2 -0.001970 0.002504 -0.003983 0.001436 -0.004666 -0.004693 33O 1dxz -0.000144 0.003328 0.003209 -0.001186 0.000393 0.002180 33O 1dyz 0.003110 -0.000112 0.004622 0.002243 0.003006 0.002843 33O 1dx2y2 -0.000685 -0.002376 -0.001135 0.000903 0.000527 0.000792 33O 1dxy -0.003183 0.000938 -0.004384 0.002317 -0.004333 -0.006652 33O 2dz2 0.028815 -0.026639 0.041473 -0.018323 0.012505 0.023821 33O 2dxz 0.023088 -0.008829 -0.019090 0.024760 0.056015 0.029119 33O 2dyz -0.027295 -0.069665 0.023605 0.031348 -0.028874 -0.010841 33O 2dx2y2 0.023411 0.007677 0.086252 -0.018579 0.010886 0.058658 33O 2dxy -0.021639 -0.032564 -0.015550 0.015088 -0.034647 -0.038015 33O 1f0 0.002946 -0.000340 -0.002985 -0.001174 0.003733 0.001469 33O 1f+1 -0.000571 0.000917 -0.004849 -0.000124 0.001332 -0.001591 33O 1f-1 -0.000294 0.001992 -0.002444 0.002344 0.000693 -0.001445 33O 1f+2 -0.002352 -0.001272 0.007685 -0.002005 -0.005539 0.000151 33O 1f-2 0.002165 -0.000475 0.001198 -0.002060 0.003305 0.003034 33O 1f+3 0.000351 0.000568 0.004562 -0.002053 -0.002118 0.001889 33O 1f-3 0.001911 -0.000042 0.001340 -0.000450 0.002335 0.002616 34O 1s 0.001267 0.005668 -0.004284 -0.002115 0.001461 -0.005099 34O 2s 0.000529 0.010369 -0.008806 -0.001735 0.003086 -0.008385 34O 3s 0.052088 0.048160 -0.012544 -0.056337 0.003031 -0.056880 34O 4s -0.289357 -0.513089 0.326183 0.424929 -0.081313 0.581275 34O 5s 0.476889 0.948484 -1.250581 -1.515821 0.333000 -2.193376 34O 1pz 0.035594 0.025692 -0.033237 0.061573 -0.025556 0.017706 34O 1px 0.016759 -0.040048 -0.035945 -0.022162 0.029498 -0.063081 34O 1py 0.011240 0.025731 -0.007208 -0.001649 -0.051239 -0.047082 34O 2pz 0.095838 0.125616 -0.084650 0.069039 -0.019086 -0.010181 34O 2px -0.027102 -0.047029 -0.107668 -0.045193 0.051357 -0.152749 34O 2py -0.000886 -0.001369 0.037377 0.018522 -0.095668 -0.008361 34O 3pz 0.134697 -0.230115 0.373840 -0.021860 -0.283205 0.276868 34O 3px -0.167673 0.187548 -0.202632 -0.300951 0.101626 -0.014147 34O 3py 0.142992 0.429986 -0.411514 -0.023791 0.012150 -0.263578 34O 1dz2 0.000902 0.000390 -0.001832 0.000320 0.001848 -0.002070 34O 1dxz -0.008637 -0.005424 0.003238 -0.001239 0.005101 -0.000195 34O 1dyz 0.003831 0.001087 -0.003578 -0.003327 -0.000587 -0.003582 34O 1dx2y2 -0.001182 -0.003048 0.002871 0.001889 -0.000011 -0.000365 34O 1dxy 0.000446 -0.003228 0.001115 -0.001986 0.003625 0.000469 34O 2dz2 0.065249 0.001599 -0.043702 0.055585 0.002657 -0.016714 34O 2dxz -0.015425 -0.023028 -0.006710 0.007574 0.024879 -0.007398 34O 2dyz 0.029045 0.060404 0.008397 -0.079132 0.005810 -0.047576 34O 2dx2y2 -0.051526 -0.014088 -0.060935 0.003528 0.001678 -0.064074 34O 2dxy 0.019494 0.014510 0.048682 -0.007225 0.011865 0.026753 34O 1f0 -0.003331 -0.001423 -0.000604 -0.002621 0.000535 -0.000643 34O 1f+1 0.004441 -0.001161 0.001741 0.000902 0.002386 -0.000712 34O 1f-1 -0.000546 -0.001912 -0.001416 0.002506 0.000157 0.000140 34O 1f+2 0.004141 -0.000308 -0.000251 0.001034 -0.001594 0.001268 34O 1f-2 -0.000703 -0.001959 -0.000826 -0.001838 0.000061 -0.000855 34O 1f+3 0.006464 -0.000862 0.004540 -0.000515 0.001590 0.003200 34O 1f-3 -0.001968 0.001327 0.001365 0.000238 -0.002086 0.002596 35O 1s -0.003040 0.002218 0.009165 0.003557 -0.004474 0.001954 35O 2s -0.007782 0.005726 0.020096 0.006325 -0.009438 0.004080 35O 3s 0.018451 -0.013494 0.011095 0.034002 -0.009438 0.008755 35O 4s 0.081506 -0.035332 -0.545653 -0.338145 0.291310 -0.137986 35O 5s -0.449966 0.117070 1.358275 0.865351 -0.910558 0.173457 35O 1pz -0.009490 0.057962 0.015724 -0.034595 -0.047921 -0.010534 35O 1px -0.012892 0.011918 0.019061 0.017055 -0.048015 -0.021866 35O 1py -0.040510 0.028015 0.067451 0.035857 0.008990 0.033152 35O 2pz -0.011373 0.131735 0.067170 -0.002066 -0.112223 0.009532 35O 2px -0.021196 0.104432 0.053724 0.028840 -0.108351 -0.037361 35O 2py -0.068678 0.067858 0.134842 0.071308 -0.031731 0.028020 35O 3pz 0.064744 -0.825027 -0.826583 -0.232354 0.424653 -0.436280 35O 3px -0.421487 -0.587778 0.049121 -0.142588 -0.124770 -0.186639 35O 3py 0.075155 -0.605387 -0.328832 -0.322843 0.481936 0.370216 35O 1dz2 -0.000536 -0.001509 0.000755 -0.002767 0.000796 0.001024 35O 1dxz -0.001689 -0.000859 0.004447 0.000261 0.001949 0.003926 35O 1dyz -0.000418 0.001639 -0.001479 0.000876 0.001346 0.000781 35O 1dx2y2 0.002252 0.000050 0.000869 -0.000595 0.005932 0.005455 35O 1dxy 0.002315 0.002898 -0.003819 -0.000562 -0.002687 -0.005549 35O 2dz2 0.072489 0.009620 -0.012511 -0.066976 0.000646 -0.018736 35O 2dxz 0.006740 -0.036561 0.029282 -0.011921 -0.007002 0.009472 35O 2dyz -0.050888 0.060463 0.008566 0.021038 0.009501 0.019399 35O 2dx2y2 0.023363 0.007077 0.036370 -0.024011 -0.009445 0.009700 35O 2dxy -0.000632 0.004388 0.026765 -0.011528 -0.050367 -0.049118 35O 1f0 -0.004021 0.000254 0.000622 0.003747 -0.001183 0.000593 35O 1f+1 0.001424 -0.000277 -0.003320 -0.000678 0.002229 -0.000018 35O 1f-1 0.001151 0.000023 -0.002919 0.000258 0.000714 -0.000669 35O 1f+2 0.000749 -0.000738 -0.001046 -0.001021 0.000692 -0.000683 35O 1f-2 -0.000071 0.002243 -0.002390 0.000953 0.000882 0.000339 35O 1f+3 0.000027 -0.000476 -0.003084 0.001525 0.003500 0.002605 35O 1f-3 0.001446 -0.002165 -0.004362 0.001050 0.001185 -0.000886 282 283 284 285 286 287 1.08418 1.09465 1.09992 1.14143 1.14454 1.14772 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s -0.000676 0.001792 -0.000433 -0.000023 0.000373 0.001751 0Rh 2s 0.002015 -0.009867 0.004154 0.000285 -0.001392 -0.007725 0Rh 3s -0.002708 0.004403 0.000026 0.000043 0.001323 0.005485 0Rh 4s -0.009012 0.046793 -0.020287 -0.001447 0.006391 0.036099 0Rh 5s 0.001129 -0.065661 0.041115 0.003674 -0.004087 -0.036205 0Rh 6s 0.052349 -0.004137 -0.055254 -0.007748 -0.023686 -0.078063 0Rh 7s -0.180457 0.133828 0.194311 0.028146 0.085951 0.055793 0Rh 8s -0.278569 0.064163 -0.024107 -0.083155 -0.066519 -1.323454 0Rh 1pz -0.013514 -0.004972 0.006334 0.023687 0.015988 -0.002546 0Rh 1px -0.002344 0.016856 -0.010020 0.011260 0.000921 -0.001708 0Rh 1py -0.001593 0.002053 -0.001959 -0.014945 0.025306 -0.000048 0Rh 2pz 0.046104 0.016659 -0.021342 -0.078780 -0.053116 0.008922 0Rh 2px 0.007911 -0.056786 0.033825 -0.037417 -0.003063 0.006322 0Rh 2py 0.005979 -0.006963 0.006507 0.049692 -0.084150 0.000159 0Rh 3pz -0.021408 -0.001498 0.004304 -0.008013 -0.006570 -0.008211 0Rh 3px -0.001758 0.011502 -0.008377 -0.004461 -0.000226 -0.014728 0Rh 3py -0.014143 0.002379 0.000722 0.005628 -0.009169 -0.000338 0Rh 4pz -0.160626 -0.084304 0.098144 0.468741 0.320482 -0.020759 0Rh 4px -0.036602 0.260479 -0.147962 0.224767 0.017379 0.040047 0Rh 4py 0.027174 0.028060 -0.038970 -0.299170 0.503868 0.003263 0Rh 5pz 0.126864 0.123468 -0.126040 -0.708161 -0.486412 0.063581 0Rh 5px 0.047685 -0.348816 0.186521 -0.336626 -0.023652 -0.224185 0Rh 5py -0.112030 -0.038220 0.070689 0.454925 -0.762932 -0.030331 0Rh 6pz 2.076076 -0.295801 -0.189445 -0.005790 0.049807 -1.041228 0Rh 6px 0.106580 0.228727 0.057304 -0.005604 0.055844 4.453957 0Rh 6py 1.845951 0.169683 -0.579493 -0.003845 0.096763 0.751123 0Rh 1dz2 0.027890 -0.033982 -0.042556 0.012664 0.011975 0.020622 0Rh 1dxz -0.057658 -0.019494 -0.006739 -0.014682 -0.012228 0.016487 0Rh 1dyz 0.002737 0.008784 0.015493 -0.010327 0.010741 0.001938 0Rh 1dx2y2 -0.009463 -0.001176 -0.037405 -0.009699 -0.000967 -0.036330 0Rh 1dxy -0.041845 0.002296 -0.001259 0.008832 -0.018107 -0.010506 0Rh 2dz2 -0.007547 0.005098 0.007800 -0.003458 -0.002855 -0.005473 0Rh 2dxz 0.014395 0.002024 0.001302 0.004587 0.003576 -0.003662 0Rh 2dyz -0.000863 -0.001762 -0.002323 0.002437 -0.001621 -0.000655 0Rh 2dx2y2 0.001982 0.001736 0.005401 0.002933 0.000090 0.009219 0Rh 2dxy 0.010705 0.000331 -0.000865 -0.002728 0.005819 0.002937 0Rh 3dz2 -0.027309 0.050808 0.057886 -0.012563 -0.013796 -0.020648 0Rh 3dxz 0.061793 0.032924 0.008960 0.012196 0.011230 -0.019302 0Rh 3dyz -0.002104 -0.011265 -0.023049 0.011967 -0.016567 -0.001126 0Rh 3dx2y2 0.011734 -0.004629 0.056899 0.008486 0.001643 0.038240 0Rh 3dxy 0.043879 -0.006201 0.006363 -0.007463 0.014292 0.009904 0Rh 4dz2 -0.131417 0.105047 0.147822 -0.059519 -0.047057 -0.104515 0Rh 4dxz 0.254633 0.049684 0.023218 0.075152 0.058717 -0.080163 0Rh 4dyz -0.016965 -0.034539 -0.052442 0.041073 -0.025456 -0.013856 0Rh 4dx2y2 0.035394 0.022075 0.114533 0.048034 0.003740 0.180744 0Rh 4dxy 0.185978 0.000381 -0.010669 -0.045739 0.097931 0.057228 0Rh 5dz2 0.388455 -0.256946 -0.344014 0.173532 0.081993 0.459291 0Rh 5dxz -0.745889 -0.125538 -0.032798 -0.201194 -0.140129 0.425905 0Rh 5dyz 0.088048 0.115914 0.200346 -0.070247 -0.053923 0.087443 0Rh 5dx2y2 -0.065230 -0.054551 -0.315168 -0.121592 -0.043410 -0.824122 0Rh 5dxy -0.508807 0.005256 0.054758 0.135343 -0.316407 -0.281163 0Rh 1f0 0.010359 -0.016109 0.012901 0.028133 -0.015593 -0.026105 0Rh 1f+1 0.024240 0.011437 -0.012789 0.008434 0.004402 0.023105 0Rh 1f-1 -0.003419 0.004083 -0.000055 -0.010029 -0.045258 0.005456 0Rh 1f+2 -0.020492 0.021569 -0.005089 0.034676 0.001068 0.039422 0Rh 1f-2 -0.009088 0.007780 -0.005601 0.007673 -0.013011 0.012494 0Rh 1f+3 0.001643 0.027406 -0.013403 -0.014128 -0.000010 0.044902 0Rh 1f-3 0.019092 0.016426 -0.007887 0.003937 0.004472 0.024084 1Rh 1s -0.000658 0.001777 -0.000432 0.000039 0.000356 -0.001811 1Rh 2s 0.001960 -0.009817 0.004154 0.000016 -0.001304 0.007939 1Rh 3s -0.002642 0.004343 0.000029 0.000240 0.001277 -0.005706 1Rh 4s -0.008764 0.046567 -0.020287 -0.000191 0.005977 -0.037082 1Rh 5s 0.001048 -0.065582 0.041133 0.002446 -0.003575 0.036765 1Rh 6s 0.051108 -0.003034 -0.055354 -0.010581 -0.023189 0.081919 1Rh 7s -0.180616 0.130314 0.195812 0.031524 0.088351 -0.075754 1Rh 8s -0.268436 0.063972 -0.021499 -0.122578 -0.045644 1.329771 1Rh 1pz 0.013625 0.004938 -0.006349 -0.023581 -0.016056 -0.003045 1Rh 1px 0.002369 -0.016878 0.009973 -0.011191 -0.000911 -0.001939 1Rh 1py 0.001641 -0.002112 0.002041 0.014952 -0.025286 0.000778 1Rh 2pz -0.046482 -0.016542 0.021395 0.078407 0.053348 0.010578 1Rh 2px -0.008005 0.056868 -0.033665 0.037165 0.003036 0.007092 1Rh 2py -0.006146 0.007165 -0.006781 -0.049716 0.084082 -0.002590 1Rh 3pz 0.021589 0.001358 -0.004349 0.008356 0.006473 -0.007970 1Rh 3px 0.001957 -0.011668 0.008346 0.004995 0.000096 -0.014707 1Rh 3py 0.014238 -0.002486 -0.000668 -0.005640 0.009140 -0.000578 1Rh 4pz 0.162023 0.084211 -0.098275 -0.467931 -0.321465 -0.030934 1Rh 4px 0.036232 -0.260194 0.147234 -0.226047 -0.016507 0.035621 1Rh 4py -0.026649 -0.028730 0.040251 0.299268 -0.503330 0.019553 1Rh 5pz -0.129304 -0.123140 0.126346 0.706068 0.488540 0.079302 1Rh 5px -0.045903 0.347505 -0.185599 0.344023 0.020315 -0.217207 1Rh 5py 0.111464 0.039057 -0.072408 -0.454379 0.761538 -0.055113 1Rh 6pz -2.060455 0.281607 0.182300 0.035647 -0.069928 -1.050120 1Rh 6px -0.139643 -0.208705 -0.056555 -0.141567 0.005093 4.457232 1Rh 6py -1.847916 -0.171300 0.572631 -0.013535 -0.080543 0.756953 1Rh 1dz2 0.027615 -0.034263 -0.042645 0.013346 0.011698 -0.020500 1Rh 1dxz -0.057641 -0.019377 -0.006521 -0.014192 -0.012539 -0.017091 1Rh 1dyz 0.003061 0.008874 0.015306 -0.010147 0.010676 -0.002812 1Rh 1dx2y2 -0.009883 -0.001101 -0.037347 -0.010900 -0.000470 0.036458 1Rh 1dxy -0.041894 0.002512 -0.001103 0.008508 -0.017946 0.011034 1Rh 2dz2 -0.007495 0.005181 0.007818 -0.003642 -0.002782 0.005404 1Rh 2dxz 0.014405 0.001975 0.001251 0.004481 0.003651 0.003840 1Rh 2dyz -0.000924 -0.001759 -0.002295 0.002401 -0.001614 0.000803 1Rh 2dx2y2 0.002073 0.001718 0.005383 0.003237 -0.000047 -0.009212 1Rh 2dxy 0.010731 0.000281 -0.000898 -0.002638 0.005771 -0.003113 1Rh 3dz2 -0.026940 0.051055 0.057999 -0.013233 -0.013515 0.020683 1Rh 3dxz 0.061722 0.032877 0.008708 0.011616 0.011570 0.019850 1Rh 3dyz -0.002536 -0.011476 -0.022767 0.011739 -0.016459 0.002396 1Rh 3dx2y2 0.012238 -0.004709 0.056856 0.009753 0.001168 -0.038544 1Rh 3dxy 0.043876 -0.006455 0.006173 -0.007161 0.014156 -0.010294 1Rh 4dz2 -0.130478 0.106518 0.148125 -0.062980 -0.045679 0.103296 1Rh 4dxz 0.254650 0.048987 0.022333 0.072761 0.060245 0.083168 1Rh 4dyz -0.018096 -0.034464 -0.051949 0.040350 -0.025300 0.016289 1Rh 4dx2y2 0.037170 0.021705 0.114218 0.053976 0.001087 -0.180896 1Rh 4dxy 0.186410 -0.000455 -0.011333 -0.043943 0.096999 -0.060259 1Rh 5dz2 0.386827 -0.263100 -0.343980 0.188196 0.076268 -0.453211 1Rh 5dxz -0.744682 -0.124143 -0.030496 -0.188029 -0.147319 -0.435550 1Rh 5dyz 0.090341 0.112378 0.201295 -0.067577 -0.053690 -0.086087 1Rh 5dx2y2 -0.072183 -0.052515 -0.314019 -0.148744 -0.031065 0.827061 1Rh 5dxy -0.511199 0.006774 0.057657 0.126036 -0.311744 0.292889 1Rh 1f0 -0.010219 0.016070 -0.012936 -0.027321 0.015141 -0.027671 1Rh 1f+1 -0.024520 -0.011387 0.012921 -0.009250 -0.004088 0.023071 1Rh 1f-1 0.003233 -0.004020 0.000008 0.009830 0.045337 0.004972 1Rh 1f+2 0.020594 -0.021503 0.005133 -0.035959 -0.000741 0.038439 1Rh 1f-2 0.008949 -0.007854 0.005708 -0.008198 0.013105 0.012426 1Rh 1f+3 -0.001930 -0.027268 0.013548 0.012734 0.000811 0.045599 1Rh 1f-3 -0.019328 -0.016076 0.007677 -0.004732 -0.004276 0.024060 2C 1s -0.000075 -0.008051 0.002959 -0.000752 -0.001443 -0.000013 2C 2s -0.000196 -0.014769 0.002291 -0.002679 -0.001892 -0.002872 2C 3s 0.005752 -0.183987 0.179948 0.048677 -0.060008 0.082152 2C 4s -0.010542 1.399326 -0.999710 -0.204439 0.295904 -0.337397 2C 5s -0.293966 1.158238 0.022057 0.468774 0.733967 0.299764 2C 1pz -0.022890 0.088403 -0.077845 -0.016209 0.036265 -0.009867 2C 1px 0.017538 0.036251 -0.039670 -0.026204 -0.066778 -0.067868 2C 1py 0.016004 0.085769 0.006075 0.012806 -0.007304 -0.014132 2C 2pz -0.099956 1.062036 -0.662698 -0.135122 0.113699 -0.393397 2C 2px -0.000406 0.386870 -0.136166 0.155396 0.450557 0.392592 2C 2py 0.141913 0.508517 -0.602366 -0.040635 0.263505 -0.060965 2C 3pz -0.146898 0.600368 -0.415892 0.183530 0.406489 -0.049797 2C 3px 0.105548 0.271011 -0.221433 -0.293408 -0.661855 -0.509512 2C 3py 0.047210 0.659996 -0.008234 -0.104430 0.150390 0.033466 2C 1dz2 0.000751 0.000740 0.011425 0.000063 0.004068 -0.002525 2C 1dxz 0.000181 -0.003058 0.004642 -0.003564 -0.008043 -0.001238 2C 1dyz -0.000015 -0.008772 -0.000905 0.002459 -0.000952 0.006238 2C 1dx2y2 0.001123 0.007286 0.004215 0.000786 0.001429 0.001983 2C 1dxy -0.002202 0.001210 0.003203 -0.003726 -0.006928 -0.000722 2C 2dz2 0.063008 0.162091 -0.610409 0.111080 0.303798 0.089302 2C 2dxz 0.141987 -0.194125 -0.391423 -0.227638 -0.485665 -0.552242 2C 2dyz 0.015092 0.917000 -0.353540 -0.016711 0.319123 0.027440 2C 2dx2y2 0.168655 -0.321664 -0.130809 0.128679 0.102970 0.321283 2C 2dxy -0.177931 0.316904 0.021361 -0.195184 -0.349414 -0.459833 2C 1f0 0.011872 -0.009756 -0.017981 0.006434 0.018487 0.021979 2C 1f+1 -0.007492 0.022212 -0.000168 0.000387 0.003621 -0.003052 2C 1f-1 -0.002516 0.026009 -0.018083 -0.007892 -0.003256 -0.013813 2C 1f+2 0.001324 -0.018494 -0.001474 -0.003747 -0.015502 -0.014002 2C 1f-2 0.001252 -0.011006 -0.006628 -0.004747 -0.007130 -0.006116 2C 1f+3 0.006962 0.006132 -0.022668 0.000240 0.007131 -0.001616 2C 1f-3 -0.001086 0.019978 -0.000235 0.005770 0.014451 0.013302 3C 1s -0.000030 -0.006643 0.005441 -0.001270 0.000053 0.000162 3C 2s 0.000463 -0.009784 0.011102 -0.003147 -0.001308 -0.001305 3C 3s -0.018720 -0.234503 0.090322 0.011784 0.061597 0.049002 3C 4s 0.077580 1.506202 -0.820533 -0.027247 -0.244900 -0.208345 3C 5s -0.498101 1.315107 -0.196464 0.581388 0.201007 0.262969 3C 1pz 0.004672 0.015942 -0.060447 0.022387 -0.026358 0.033778 3C 1px 0.035900 0.038259 -0.045598 -0.065704 0.002525 -0.051095 3C 1py 0.022623 -0.123368 0.037342 -0.009942 -0.003590 0.024494 3C 2pz 0.234913 0.577485 -0.105037 -0.073022 -0.058765 -0.161258 3C 2px 0.251946 0.502182 -0.242244 0.467351 -0.210526 0.447968 3C 2py 0.101223 -1.101197 0.666605 0.055144 0.165265 0.294473 3C 3pz -0.057749 0.213552 -0.366958 0.331906 -0.144864 0.082872 3C 3px 0.383145 0.315814 -0.314191 -0.532649 0.365189 -0.347490 3C 3py 0.197456 -0.896876 0.167536 -0.185598 0.136074 -0.034187 3C 1dz2 0.001351 0.006876 0.009990 0.001982 -0.002832 -0.005308 3C 1dxz -0.000067 -0.001307 0.005568 -0.007248 0.003315 -0.007741 3C 1dyz 0.000786 0.001833 -0.005759 -0.003725 0.000597 0.000179 3C 1dx2y2 0.000066 0.008758 0.000117 -0.005131 0.002285 -0.004048 3C 1dxy -0.003062 0.004351 -0.003173 0.007006 -0.001939 -0.003026 3C 2dz2 0.042043 -0.284039 -0.133491 0.191229 -0.045093 0.232781 3C 2dxz -0.427378 0.075678 -0.275254 -0.498886 0.143446 -0.666437 3C 2dyz 0.106181 -0.655310 0.763304 -0.337237 0.218413 -0.221672 3C 2dx2y2 -0.333057 -0.538422 -0.212111 -0.250403 0.203723 -0.167779 3C 2dxy -0.244659 -0.373590 0.080326 0.338929 -0.091417 0.348431 3C 1f0 -0.021652 -0.026835 -0.007491 -0.002822 0.004335 -0.001139 3C 1f+1 0.003373 0.001975 -0.011219 0.015336 -0.003907 0.019404 3C 1f-1 0.016684 -0.006189 0.024231 0.003061 0.001143 0.006748 3C 1f+2 0.003921 -0.004094 0.002030 0.006313 -0.000033 0.002728 3C 1f-2 -0.002468 -0.010020 0.012125 -0.008799 0.004652 -0.006714 3C 1f+3 -0.017538 0.018181 -0.022484 -0.015582 0.000820 -0.021744 3C 1f-3 -0.008890 -0.019318 0.012272 -0.022853 0.008459 -0.022198 4C 1s -0.000367 0.012052 -0.009538 -0.002030 0.003343 -0.008550 4C 2s -0.000941 0.025949 -0.021833 -0.004602 0.008776 -0.022223 4C 3s -0.014941 0.273235 -0.141252 -0.015419 0.015530 0.011045 4C 4s 0.059992 -2.274162 1.619807 0.298202 -0.316031 0.639119 4C 5s 0.725253 -1.710279 1.544820 0.288902 -1.292121 1.458804 4C 1pz 0.020802 0.114679 -0.010630 -0.009787 0.012009 -0.000809 4C 1px -0.060452 0.058167 0.019109 0.007227 0.026154 -0.054358 4C 1py -0.007233 0.004464 -0.110420 0.015025 0.014190 -0.010656 4C 2pz 0.154639 0.850053 -0.609330 -0.013682 0.369837 -0.050088 4C 2px -0.426231 0.216661 -0.054206 -0.177709 -0.321625 -0.411442 4C 2py -0.047592 0.490400 -0.490812 -0.065881 0.086656 -0.151207 4C 3pz 0.072688 0.812443 0.812999 0.274502 -0.310569 0.710835 4C 3px -0.244696 0.271620 0.195070 0.243567 0.480665 0.452753 4C 3py 0.068907 0.108296 0.179344 0.370427 -0.138698 0.310372 4C 1dz2 -0.005068 0.005914 -0.006954 -0.002923 0.001566 0.003370 4C 1dxz 0.007616 0.003175 -0.006586 -0.000172 -0.003522 -0.001879 4C 1dyz -0.001487 0.002839 -0.001106 0.001066 0.001648 0.000143 4C 1dx2y2 -0.001571 -0.009251 0.003308 0.004641 0.002070 0.005487 4C 1dxy 0.008163 -0.002371 0.000668 -0.003593 0.002823 0.001942 4C 2dz2 0.103830 -0.601063 -0.065162 0.144679 0.083528 0.249564 4C 2dxz -0.155830 -0.143996 -0.028609 -0.103360 -0.419046 -0.307083 4C 2dyz -0.038176 -0.504857 0.686168 0.063510 -0.195702 0.157154 4C 2dx2y2 -0.008136 -0.172724 -0.247339 0.030703 -0.061597 0.063851 4C 2dxy 0.072156 -0.232749 0.043927 -0.125697 -0.240063 -0.005926 4C 1f0 -0.000815 0.014834 0.004639 -0.005327 -0.002387 -0.008099 4C 1f+1 -0.006102 0.023543 -0.001398 0.000623 0.006090 -0.001783 4C 1f-1 0.006160 0.029703 -0.022891 -0.001351 0.009147 -0.009551 4C 1f+2 0.009498 -0.017637 0.018199 0.005151 0.003136 0.011930 4C 1f-2 -0.009241 0.013608 -0.008827 -0.001515 0.003021 -0.002832 4C 1f+3 0.008833 0.005142 -0.003595 0.002493 0.009626 0.007173 4C 1f-3 0.007675 0.006777 -0.010555 0.003185 0.008100 0.003122 5C 1s 0.000635 0.013841 -0.006114 -0.000000 -0.004249 -0.004075 5C 2s 0.001372 0.031135 -0.012016 0.000350 -0.010491 -0.010377 5C 3s 0.006215 0.232696 -0.198508 0.010538 -0.017441 -0.023376 5C 4s -0.157090 -2.314561 1.422638 -0.010491 0.521817 0.413347 5C 5s 0.021351 -2.391074 0.230005 -0.346518 1.068254 0.967169 5C 1pz 0.029135 0.083496 0.055400 -0.010093 0.000899 0.008090 5C 1px 0.007049 0.055886 -0.015456 0.030330 -0.018737 -0.049493 5C 1py 0.019342 -0.060627 0.109150 -0.005367 -0.000799 0.007765 5C 2pz 0.073338 0.586520 -0.158160 0.144350 -0.122673 0.032380 5C 2px 0.071305 0.373855 -0.172577 -0.333214 0.089499 -0.424189 5C 2py -0.074589 -0.911939 0.480600 -0.117874 0.164049 -0.012695 5C 3pz -0.033066 0.283886 0.131679 -0.097604 0.511073 0.427252 5C 3px -0.589874 0.155173 -0.009364 0.465772 0.002718 0.448819 5C 3py 0.503194 -0.222558 0.669741 -0.017514 -0.824164 -0.335803 5C 1dz2 -0.002131 0.001799 -0.004470 -0.001505 -0.002829 0.003128 5C 1dxz 0.004646 0.003330 -0.005669 -0.000895 0.003416 0.001533 5C 1dyz -0.002395 -0.001037 0.002142 -0.002670 0.002816 -0.006024 5C 1dx2y2 -0.002330 -0.011553 0.005334 0.001114 0.002322 0.004365 5C 1dxy 0.003729 -0.003754 -0.000337 0.003028 0.004044 0.002286 5C 2dz2 -0.340196 0.054934 -0.470783 0.088491 -0.117753 -0.001656 5C 2dxz 0.298623 -0.214972 -0.157895 -0.068150 0.126660 -0.017643 5C 2dyz 0.090685 0.768321 -0.169470 -0.122040 -0.082374 -0.297543 5C 2dx2y2 0.045249 0.169246 -0.367687 -0.152048 0.036143 -0.050881 5C 2dxy 0.264488 0.327915 -0.159964 0.409899 -0.171572 0.286383 5C 1f0 -0.007024 -0.014818 0.009474 -0.006665 0.004720 -0.003201 5C 1f+1 0.004526 0.007754 0.000870 0.005911 -0.002009 0.003858 5C 1f-1 0.000534 -0.006876 -0.009570 0.000363 0.001685 0.002755 5C 1f+2 0.002446 -0.022732 0.009314 0.006184 0.001665 0.011606 5C 1f-2 -0.007035 -0.024755 0.013418 0.002762 0.001424 0.009488 5C 1f+3 -0.004728 0.023569 -0.018793 0.009608 -0.009295 0.002070 5C 1f-3 0.004917 -0.008595 0.017696 0.001747 0.000077 0.008944 6C 1s 0.000549 0.013925 -0.006169 -0.000196 -0.004271 0.004311 6C 2s 0.001144 0.031373 -0.012203 -0.000135 -0.010559 0.010990 6C 3s 0.007494 0.231181 -0.194507 0.009273 -0.016657 0.023368 6C 4s -0.155678 -2.312540 1.402413 0.012093 0.515313 -0.436147 6C 5s 0.042529 -2.391093 0.234895 -0.306169 1.065004 -1.012750 6C 1pz -0.029470 -0.083167 -0.056309 0.009839 -0.001044 0.009287 6C 1px -0.007162 -0.056801 0.015630 -0.028894 0.018201 -0.050432 6C 1py -0.019380 0.060027 -0.108205 0.005042 0.000975 0.006987 6C 2pz -0.073563 -0.586035 0.155873 -0.143854 0.123901 0.029083 6C 2px -0.067011 -0.378545 0.172655 0.348424 -0.093992 -0.410596 6C 2py 0.076440 0.909318 -0.478114 0.115988 -0.164399 -0.010604 6C 3pz 0.033246 -0.279671 -0.129600 0.075309 -0.501553 0.475827 6C 3px 0.592774 -0.152088 0.008534 -0.484544 0.005578 0.460991 6C 3py -0.500063 0.214463 -0.678658 0.041790 0.814935 -0.408218 6C 1dz2 -0.002151 0.001780 -0.004416 -0.001437 -0.002854 -0.003107 6C 1dxz 0.004663 0.003264 -0.005624 -0.000876 0.003433 -0.001503 6C 1dyz -0.002446 -0.001050 0.002206 -0.002887 0.002887 0.005836 6C 1dx2y2 -0.002312 -0.011557 0.005257 0.001331 0.002233 -0.004478 6C 1dxy 0.003827 -0.003707 -0.000439 0.003142 0.003975 -0.002239 6C 2dz2 -0.339930 0.051177 -0.471139 0.088742 -0.118288 0.007333 6C 2dxz 0.303327 -0.213661 -0.159278 -0.069209 0.126386 0.019278 6C 2dyz 0.087221 0.771087 -0.166857 -0.133883 -0.081070 0.295657 6C 2dx2y2 0.047410 0.166556 -0.368148 -0.153227 0.038629 0.043639 6C 2dxy 0.269703 0.326513 -0.158326 0.417554 -0.175170 -0.270559 6C 1f0 0.007076 0.014730 -0.009411 0.006735 -0.004714 -0.002898 6C 1f+1 -0.004614 -0.007704 -0.001019 -0.006008 0.002099 0.003600 6C 1f-1 -0.000545 0.006881 0.009639 -0.000467 -0.001661 0.002698 6C 1f+2 -0.002495 0.022703 -0.009089 -0.006621 -0.001535 0.011408 6C 1f-2 0.007046 0.024914 -0.013283 -0.003150 -0.001410 0.009547 6C 1f+3 0.004670 -0.023497 0.018588 -0.009579 0.009362 0.001542 6C 1f-3 -0.004876 0.008477 -0.017450 -0.002061 -0.000027 0.008984 7C 1s -0.000383 0.011974 -0.009545 -0.002304 0.003461 0.008464 7C 2s -0.000930 0.025735 -0.021797 -0.005306 0.009111 0.022057 7C 3s -0.018578 0.275849 -0.144753 -0.015685 0.014122 -0.016250 7C 4s 0.086378 -2.284441 1.639742 0.323095 -0.316556 -0.600729 7C 5s 0.727094 -1.687812 1.562377 0.334723 -1.312420 -1.396671 7C 1pz -0.020356 -0.115610 0.010731 0.009744 -0.011930 0.001400 7C 1px 0.061597 -0.058237 -0.019463 -0.004873 -0.026968 -0.054155 7C 1py 0.008326 -0.004857 0.110620 -0.014284 -0.014219 -0.010267 7C 2pz -0.152090 -0.849602 0.608385 0.016432 -0.368349 -0.028312 7C 2px 0.433166 -0.217340 0.052226 0.190922 0.317704 -0.406736 7C 2py 0.051066 -0.494106 0.492900 0.071009 -0.087713 -0.137874 7C 3pz -0.087351 -0.787312 -0.815027 -0.304055 0.313617 0.685016 7C 3px 0.245229 -0.271656 -0.185922 -0.254347 -0.475793 0.457513 7C 3py -0.075403 -0.096119 -0.177910 -0.381625 0.136447 0.291871 7C 1dz2 -0.005151 0.005824 -0.006940 -0.002799 0.001430 -0.003498 7C 1dxz 0.007579 0.003234 -0.006672 -0.000220 -0.003562 0.001895 7C 1dyz -0.001463 0.002816 -0.001212 0.001058 0.001659 -0.000293 7C 1dx2y2 -0.001299 -0.009428 0.003376 0.004887 0.002086 -0.005482 7C 1dxy 0.008123 -0.002456 0.000686 -0.003500 0.002810 -0.002133 7C 2dz2 0.105490 -0.603721 -0.069372 0.152658 0.079978 -0.236123 7C 2dxz -0.155100 -0.140712 -0.030677 -0.111152 -0.412071 0.311233 7C 2dyz -0.031979 -0.507099 0.686962 0.070139 -0.194289 -0.147934 7C 2dx2y2 -0.006254 -0.168405 -0.247156 0.034179 -0.060010 -0.069024 7C 2dxy 0.065355 -0.235405 0.044674 -0.127683 -0.245838 0.013552 7C 1f0 0.000863 -0.014722 -0.004704 0.005536 0.002296 -0.007683 7C 1f+1 0.006214 -0.023502 0.001540 -0.000547 -0.006068 -0.001502 7C 1f-1 -0.005944 -0.029991 0.022913 0.001749 -0.009224 -0.008949 7C 1f+2 -0.009775 0.017917 -0.018515 -0.005524 -0.003007 0.011564 7C 1f-2 0.009540 -0.013645 0.008722 0.001642 -0.002990 -0.002711 7C 1f+3 -0.008771 -0.005199 0.003582 -0.002674 -0.009537 0.007167 7C 1f-3 -0.007625 -0.006876 0.010913 -0.003238 -0.008037 0.003169 8C 1s -0.000038 -0.006678 0.005412 -0.001266 0.000084 -0.000139 8C 2s 0.000428 -0.009891 0.011057 -0.003210 -0.001205 0.001394 8C 3s -0.018555 -0.233242 0.089220 0.014286 0.060617 -0.049795 8C 4s 0.077872 1.502003 -0.812241 -0.039246 -0.241792 0.205156 8C 5s -0.505436 1.306717 -0.215263 0.608901 0.182941 -0.301280 8C 1pz -0.006156 -0.015580 0.060521 -0.023248 0.027293 0.033247 8C 1px -0.035581 -0.038678 0.046000 0.067588 -0.003268 -0.049679 8C 1py -0.023440 0.123410 -0.036800 0.008896 0.003825 0.024231 8C 2pz -0.238636 -0.577738 0.100736 0.078931 0.054846 -0.157795 8C 2px -0.254810 -0.505821 0.244528 -0.479561 0.218698 0.428647 8C 2py -0.105252 1.098180 -0.661121 -0.067701 -0.162514 0.293160 8C 3pz 0.050492 -0.212483 0.370116 -0.337622 0.145102 0.076916 8C 3px -0.379497 -0.319074 0.317809 0.546357 -0.368624 -0.327103 8C 3py -0.204121 0.894089 -0.166710 0.188311 -0.141421 -0.040538 8C 1dz2 0.001203 0.006991 0.010061 0.001715 -0.002795 0.005467 8C 1dxz -0.000243 -0.001319 0.005570 -0.007468 0.003427 0.007412 8C 1dyz 0.000829 0.001753 -0.005724 -0.003731 0.000661 -0.000312 8C 1dx2y2 0.000023 0.008835 0.000165 -0.005257 0.002258 0.003742 8C 1dxy -0.003119 0.004372 -0.003196 0.006934 -0.001943 0.003215 8C 2dz2 0.043930 -0.286570 -0.134530 0.194779 -0.045668 -0.219376 8C 2dxz -0.437101 0.070441 -0.275773 -0.518543 0.154444 0.645619 8C 2dyz 0.102835 -0.654199 0.762688 -0.344885 0.224435 0.209384 8C 2dx2y2 -0.332074 -0.541698 -0.213946 -0.251084 0.205042 0.154248 8C 2dxy -0.245929 -0.374115 0.074428 0.353926 -0.097458 -0.340456 8C 1f0 0.021733 0.026997 0.007675 0.002390 -0.004162 -0.000534 8C 1f+1 -0.003807 -0.002401 0.011201 -0.016053 0.004373 0.018787 8C 1f-1 -0.016931 0.005889 -0.024327 -0.003149 -0.001143 0.006566 8C 1f+2 -0.004098 0.003979 -0.002137 -0.006493 0.000128 0.002495 8C 1f-2 0.002736 0.009797 -0.011858 0.008841 -0.004734 -0.006365 8C 1f+3 0.017726 -0.018198 0.022587 0.015846 -0.000895 -0.020789 8C 1f-3 0.009275 0.019372 -0.012103 0.023652 -0.008950 -0.021501 9C 1s -0.000053 -0.008031 0.003018 -0.000762 -0.001463 0.000081 9C 2s -0.000198 -0.014693 0.002441 -0.002811 -0.001923 0.002907 9C 3s 0.007403 -0.184700 0.180193 0.051901 -0.059676 -0.075877 9C 4s -0.019972 1.401133 -1.005992 -0.217558 0.293205 0.303850 9C 5s -0.273831 1.125236 0.028391 0.486314 0.747855 -0.299466 9C 1pz 0.022487 -0.087276 0.078339 0.016445 -0.036292 -0.007276 9C 1px -0.016601 -0.036840 0.039276 0.029420 0.065999 -0.069094 9C 1py -0.014925 -0.086541 -0.004977 -0.012240 0.007711 -0.014902 9C 2pz 0.104132 -1.064530 0.663466 0.147948 -0.117446 -0.367771 9C 2px 0.003893 -0.382195 0.131283 -0.168592 -0.443074 0.392768 9C 2py -0.132263 -0.513820 0.607610 0.045260 -0.261586 -0.051343 9C 3pz 0.141428 -0.586643 0.420598 -0.182454 -0.412038 -0.036390 9C 3px -0.097627 -0.271588 0.220182 0.305061 0.660878 -0.518215 9C 3py -0.043372 -0.659603 0.012487 0.102435 -0.146893 0.038030 9C 1dz2 0.000711 0.000901 0.011424 -0.000088 0.004134 0.002542 9C 1dxz 0.000154 -0.003070 0.004586 -0.003644 -0.008080 0.001334 9C 1dyz 0.000046 -0.008897 -0.000793 0.002692 -0.001049 -0.005985 9C 1dx2y2 0.001106 0.007265 0.004204 0.000796 0.001389 -0.001829 9C 1dxy -0.002094 0.001279 0.003268 -0.003678 -0.006805 0.000494 9C 2dz2 0.058095 0.158703 -0.610064 0.113178 0.301062 -0.095552 9C 2dxz 0.134484 -0.192128 -0.394383 -0.247358 -0.484904 0.554705 9C 2dyz 0.012271 0.911765 -0.360257 -0.016561 0.316082 -0.038089 9C 2dx2y2 0.169843 -0.336697 -0.132471 0.139856 0.095537 -0.308065 9C 2dxy -0.169129 0.323048 0.019141 -0.204082 -0.333536 0.438267 9C 1f0 -0.011647 0.010574 0.018155 -0.006981 -0.017568 0.021266 9C 1f+1 0.007196 -0.022002 0.000100 -0.000658 -0.004339 -0.001975 9C 1f-1 0.002610 -0.026556 0.018253 0.008243 0.002872 -0.012716 9C 1f+2 -0.001219 0.017691 0.001439 0.004043 0.014832 -0.013940 9C 1f-2 -0.001055 0.010932 0.006859 0.005181 0.007510 -0.006567 9C 1f+3 -0.006583 -0.005499 0.022729 0.000235 -0.006312 -0.002173 9C 1f-3 0.000881 -0.020081 0.000947 -0.006377 -0.014763 0.013307 10H 1s -0.001345 -0.000135 0.015216 0.009163 0.005551 0.016864 10H 2s -0.067011 -0.176236 -0.109444 -0.309023 -0.672908 -0.861105 10H 3s 0.036452 0.055993 -0.012020 0.200007 0.477771 0.452974 10H 1pz 0.012126 -0.016740 -0.022607 -0.023839 -0.065922 -0.054837 10H 1px 0.001882 0.006291 0.007715 0.011672 0.033891 0.060251 10H 1py 0.001059 0.001661 -0.001256 -0.021475 -0.029804 -0.030285 11H 1s 0.010736 -0.034180 0.011776 -0.002508 -0.011295 0.012429 11H 2s -0.275021 0.776134 0.192337 0.036631 0.198858 0.134053 11H 3s 0.057280 -0.062805 -0.240578 -0.057646 -0.306376 -0.314529 11H 1pz -0.014290 0.058028 0.036747 0.017313 0.031591 0.011964 11H 1px -0.020268 0.038846 0.018361 0.006127 0.016042 0.009478 11H 1py 0.006356 -0.025010 0.002524 -0.007335 0.002921 -0.003424 12H 1s -0.009829 -0.011538 0.024789 -0.007858 -0.024193 -0.000108 12H 2s 0.375014 -0.066479 -0.438787 0.225536 0.423636 0.558111 12H 3s -0.011696 0.251138 0.046126 -0.307333 -0.307580 -0.336065 12H 1pz -0.004714 -0.017524 -0.008794 0.017954 0.015220 0.002852 12H 1px 0.007405 -0.008535 -0.017626 0.008925 0.032237 0.029960 12H 1py 0.021689 -0.017836 -0.055919 0.020895 0.054607 0.044567 13H 1s 0.003436 -0.012848 -0.008501 0.015647 0.001145 0.015383 13H 2s -0.200257 -0.027157 0.218680 -0.712331 0.236251 -0.884670 13H 3s -0.062355 0.008404 -0.121182 0.415479 -0.310765 0.406710 13H 1pz -0.015112 0.003768 0.011519 -0.052991 0.023253 -0.064802 13H 1px 0.003771 -0.002806 -0.012148 0.025352 0.002800 0.043717 13H 1py -0.009496 -0.005309 -0.023195 0.058383 -0.020269 0.041526 14H 1s -0.030570 -0.024465 -0.000982 -0.024746 0.014890 -0.015427 14H 2s 0.756354 0.283784 0.179920 0.576386 -0.222715 0.769699 14H 3s 0.067389 -0.033159 -0.289732 -0.371033 0.230183 -0.401787 14H 1pz 0.036787 0.026217 0.022399 0.038711 -0.011725 0.033459 14H 1px 0.054694 0.029000 0.029028 0.063191 -0.014955 0.058008 14H 1py -0.000653 -0.004580 -0.020889 -0.023100 0.019030 -0.004988 15H 1s 0.015134 -0.029485 0.023688 -0.005216 0.004259 0.016077 15H 2s -0.506565 0.262612 -0.746554 0.085621 -0.019301 0.006478 15H 3s 0.127776 0.151866 0.112356 -0.218109 0.005896 -0.131942 15H 1pz 0.020655 -0.018941 0.028156 -0.000079 0.004693 -0.003114 15H 1px -0.016963 -0.002435 -0.012821 0.003496 0.004798 0.001985 15H 1py 0.038208 0.000200 0.071642 -0.023815 0.013617 -0.009970 16H 1s -0.009694 -0.008524 0.010152 0.002084 0.009937 -0.012811 16H 2s -0.010679 -0.001624 0.040446 0.002166 -0.047369 0.065041 16H 3s 0.242547 -0.025609 -0.055841 -0.001970 0.027871 -0.076726 16H 1pz 0.014305 0.015292 -0.018279 -0.003387 -0.022147 0.019911 16H 1px 0.045485 -0.013912 0.000507 0.004611 0.000421 -0.029613 16H 1py 0.009584 -0.032144 0.022223 -0.009668 0.004456 -0.023297 17H 1s 0.004246 -0.009021 0.006023 -0.006194 0.007521 -0.010699 17H 2s -0.011099 0.003199 0.070369 0.026787 -0.052310 0.059169 17H 3s -0.023571 0.014484 0.008197 0.008295 -0.020921 -0.068596 17H 1pz 0.006115 -0.017610 0.010719 -0.017704 0.018900 0.001049 17H 1px -0.004699 -0.018454 0.012076 -0.011836 0.009250 -0.020302 17H 1py -0.005078 -0.029943 0.024753 -0.002051 0.007120 -0.006895 18H 1s 0.004194 -0.008768 0.005881 -0.006117 0.007831 0.010684 18H 2s -0.010106 0.003143 0.070705 0.027962 -0.051306 -0.058201 18H 3s -0.031224 0.016396 0.007770 0.005923 -0.019749 0.069102 18H 1pz -0.006729 0.017593 -0.010308 0.017216 -0.018813 0.002092 18H 1px 0.005846 0.017732 -0.011660 0.011660 -0.009647 -0.020646 18H 1py 0.005623 0.031155 -0.025390 0.002500 -0.008244 -0.007872 19H 1s -0.009940 -0.008672 0.010094 0.001938 0.010164 0.012673 19H 2s -0.009550 -0.003453 0.039243 0.003695 -0.047443 -0.064826 19H 3s 0.239123 -0.024810 -0.056419 -0.004383 0.028285 0.075595 19H 1pz -0.014466 -0.016330 0.018861 0.002998 0.022295 0.020963 19H 1px -0.045034 0.012845 -0.000013 -0.003825 -0.000831 -0.029115 19H 1py -0.010547 0.032098 -0.021977 0.009976 -0.003545 -0.024222 20H 1s 0.015715 -0.029539 0.023760 -0.004768 0.004387 -0.016512 20H 2s -0.512765 0.259586 -0.747489 0.089190 -0.023658 -0.007284 20H 3s 0.125291 0.153176 0.116342 -0.229837 0.008727 0.128545 20H 1pz -0.020940 0.018769 -0.028288 0.000199 -0.005111 -0.003478 20H 1px 0.017407 0.002459 0.012969 -0.004016 -0.004497 0.002326 20H 1py -0.038298 -0.000406 -0.071838 0.024709 -0.014287 -0.009036 21H 1s -0.031031 -0.024722 -0.000797 -0.025080 0.015057 0.014047 21H 2s 0.767316 0.292755 0.179869 0.594323 -0.232897 -0.740766 21H 3s 0.065706 -0.032983 -0.289007 -0.383904 0.237263 0.389002 21H 1pz -0.037495 -0.027044 -0.022698 -0.039874 0.012259 0.031857 21H 1px -0.055261 -0.029598 -0.029025 -0.064460 0.015676 0.055189 21H 1py 0.000626 0.004600 0.020866 0.022965 -0.019068 -0.003893 22H 1s 0.003629 -0.012538 -0.008752 0.016034 0.000771 -0.014731 22H 2s -0.205747 -0.031334 0.224174 -0.740877 0.253095 0.855962 22H 3s -0.057839 0.008839 -0.118610 0.428877 -0.315450 -0.388989 22H 1pz 0.015851 -0.003367 -0.011414 0.054783 -0.024439 -0.062393 22H 1px -0.004092 0.002771 0.012385 -0.026752 -0.001916 0.043212 22H 1py 0.009123 0.005150 0.023449 -0.059961 0.021067 0.039567 23H 1s -0.009089 -0.011503 0.024720 -0.007551 -0.023623 -0.000504 23H 2s 0.360745 -0.074962 -0.442357 0.237057 0.401635 -0.532265 23H 3s -0.016561 0.257022 0.044141 -0.314878 -0.302970 0.324938 23H 1pz 0.004545 0.017507 0.008444 -0.017718 -0.014739 0.002207 23H 1px -0.006652 0.008859 0.017179 -0.009636 -0.030519 0.029190 23H 1py -0.020975 0.018884 0.056292 -0.021903 -0.053433 0.043098 24H 1s 0.010590 -0.034339 0.011336 -0.002288 -0.012073 -0.011831 24H 2s -0.267552 0.775305 0.196413 0.046330 0.207661 -0.151318 24H 3s 0.052474 -0.061223 -0.246004 -0.069816 -0.311139 0.321213 24H 1pz 0.014010 -0.058098 -0.037224 -0.018005 -0.032558 0.012606 24H 1px 0.019916 -0.039368 -0.018596 -0.007397 -0.017132 0.011119 24H 1py -0.006047 0.024395 -0.002750 0.007409 -0.003498 -0.003216 25H 1s -0.001444 -0.000297 0.015395 0.009611 0.005069 -0.015501 25H 2s -0.067297 -0.162947 -0.113287 -0.337118 -0.659591 0.848884 25H 3s 0.039105 0.050260 -0.015692 0.211380 0.472952 -0.457829 25H 1pz -0.011746 0.015563 0.022489 0.025609 0.065313 -0.054911 25H 1px -0.001951 -0.005172 -0.007495 -0.014071 -0.032664 0.059859 25H 1py -0.001185 -0.002506 0.000836 0.022355 0.029061 -0.028858 26O 1s 0.004941 -0.001847 -0.003308 -0.002384 -0.001282 -0.002541 26O 2s 0.007218 -0.004026 -0.005280 -0.002309 0.002803 -0.002844 26O 3s 0.074611 -0.008697 -0.041979 -0.061825 -0.112857 -0.061865 26O 4s -0.652415 0.063737 0.443435 0.423140 0.554111 0.514549 26O 5s 2.040191 0.303523 -1.570511 -0.666859 0.033069 -1.263087 26O 1pz 0.042014 0.021438 -0.014897 0.005984 0.015557 0.026193 26O 1px -0.058752 0.006446 0.018153 0.004645 -0.003423 0.007439 26O 1py 0.008111 -0.001617 0.005259 0.005076 -0.007579 0.007528 26O 2pz -0.005270 0.055325 0.041798 0.096268 0.191296 0.094448 26O 2px -0.103937 -0.032480 0.071909 -0.044676 -0.142648 0.029710 26O 2py -0.050425 -0.061060 -0.030963 0.025441 0.040383 0.038160 26O 3pz 0.463416 -0.138710 -0.451412 -0.327649 -0.302292 -0.471571 26O 3px 0.073829 -0.328907 0.204505 -0.018209 -0.275962 -0.537458 26O 3py 0.135600 0.036702 0.129195 -0.092640 -0.310929 -0.431031 26O 1dz2 -0.000369 -0.001669 0.000060 -0.000466 0.001581 0.004941 26O 1dxz 0.002608 0.002138 -0.001201 0.000548 0.005299 0.004488 26O 1dyz -0.002658 -0.001701 0.002873 0.001335 0.000868 0.007058 26O 1dx2y2 0.000932 -0.000818 0.003122 -0.001486 -0.001973 -0.002842 26O 1dxy -0.002257 -0.002372 -0.000329 0.001273 -0.000403 0.000994 26O 2dz2 -0.035533 -0.028336 0.042397 0.069341 0.047498 0.003170 26O 2dxz 0.035007 0.027512 0.004778 -0.012475 0.003921 0.023388 26O 2dyz -0.059271 -0.013889 0.023197 0.039026 0.166872 0.012451 26O 2dx2y2 0.030318 0.006736 0.018345 -0.000269 0.018062 0.007117 26O 2dxy 0.006421 0.003513 -0.016746 0.061063 0.035691 0.024951 26O 1f0 -0.000862 -0.000860 0.000721 0.000222 -0.000216 -0.000887 26O 1f+1 0.000897 0.004294 -0.000035 0.000089 0.002879 -0.000196 26O 1f-1 -0.000007 0.002034 0.000908 0.002435 0.006192 -0.000750 26O 1f+2 0.001653 0.000310 0.000851 -0.001927 -0.000709 0.001966 26O 1f-2 0.002544 0.000518 -0.001422 0.001015 0.002376 0.001247 26O 1f+3 0.001010 -0.000188 -0.003325 0.001724 0.002334 0.000517 26O 1f-3 -0.000263 0.001998 -0.001874 0.000977 0.001661 -0.000663 27O 1s 0.003555 -0.000136 0.002426 -0.003451 -0.002328 -0.001890 27O 2s 0.006012 -0.000716 0.005373 -0.001798 -0.007012 -0.001510 27O 3s 0.041860 0.004805 0.007350 -0.119399 0.032448 -0.057690 27O 4s -0.384251 -0.099049 -0.118843 0.709384 0.015197 0.436984 27O 5s 0.778506 0.739059 0.096090 -0.537311 -0.852153 -0.884447 27O 1pz -0.023990 0.004443 0.006800 -0.002770 -0.001244 -0.006802 27O 1px -0.005223 -0.001898 -0.011738 0.001646 0.003637 -0.001329 27O 1py -0.031346 -0.016819 0.022335 -0.017369 0.003253 -0.032249 27O 2pz -0.026954 0.056473 0.076802 0.115143 -0.027741 0.008629 27O 2px 0.039220 -0.028854 0.047429 -0.111570 0.067297 0.026013 27O 2py 0.005498 -0.015778 0.051345 -0.176657 0.066379 -0.108020 27O 3pz -0.393339 -0.001368 -0.182069 -0.284880 -0.182589 -0.220173 27O 3px -0.240223 -0.413636 0.114214 -0.262367 0.296848 -0.759257 27O 3py -0.433059 0.041505 -0.169685 0.403584 -0.063489 0.467981 27O 1dz2 0.000739 0.001408 -0.002108 -0.000167 -0.002127 0.000266 27O 1dxz -0.006079 0.003625 0.002573 0.000460 -0.002355 0.000935 27O 1dyz 0.002061 0.002767 -0.001914 0.000876 -0.000763 -0.004128 27O 1dx2y2 -0.003077 -0.000754 0.000310 -0.002927 0.001053 -0.007152 27O 1dxy -0.003716 0.000607 0.001955 -0.004150 0.000438 -0.006330 27O 2dz2 0.050335 0.006444 -0.003778 -0.038243 0.068794 -0.012242 27O 2dxz -0.029033 0.028019 0.016147 -0.012671 -0.028675 -0.003602 27O 2dyz 0.030403 0.015941 -0.029195 -0.157695 0.045349 -0.005155 27O 2dx2y2 0.014198 0.028299 -0.006412 -0.027348 0.028592 0.006884 27O 2dxy -0.012936 0.000460 0.020724 -0.073424 -0.006483 -0.038856 27O 1f0 0.001761 -0.001773 -0.001701 -0.003966 0.002699 -0.000311 27O 1f+1 0.000151 0.002378 0.000395 0.001152 -0.001210 -0.001217 27O 1f-1 0.000045 -0.000372 -0.000392 -0.000427 0.000853 0.001053 27O 1f+2 -0.000892 0.001523 0.000836 -0.003356 0.000789 0.000855 27O 1f-2 0.000982 -0.002175 -0.001159 -0.001668 0.001402 0.000964 27O 1f+3 0.000102 0.002256 -0.004598 0.005812 -0.001758 0.000644 27O 1f-3 0.001405 -0.000136 0.000406 -0.001037 -0.000124 0.001787 28O 1s -0.005592 -0.002215 -0.002014 -0.000495 0.006262 0.000256 28O 2s -0.009218 -0.005072 -0.003659 -0.003210 0.008604 -0.000688 28O 3s -0.061901 -0.005518 -0.017573 0.040299 0.111913 0.033155 28O 4s 0.628250 0.056525 0.248638 -0.131899 -0.823727 -0.188985 28O 5s -2.417473 0.513556 -1.000320 -0.325410 1.000556 -0.749511 28O 1pz -0.011234 0.016035 0.005381 -0.005991 -0.017137 -0.005811 28O 1px -0.079206 0.027630 -0.005080 -0.008007 -0.003199 -0.039479 28O 1py -0.009928 -0.005483 -0.007874 0.003259 -0.004199 0.002384 28O 2pz 0.070521 0.024813 0.047263 -0.055054 -0.103342 -0.030944 28O 2px -0.137922 0.132391 -0.001862 -0.102526 -0.188262 -0.116289 28O 2py 0.042026 -0.055363 -0.088868 -0.020868 -0.133929 -0.024269 28O 3pz -0.198219 -0.333850 0.013683 0.341387 0.562855 1.032218 28O 3px -0.252811 0.062970 -0.353268 -0.086341 0.080411 -0.805005 28O 3py -0.199254 0.170689 0.037147 -0.053674 0.477634 0.360189 28O 1dz2 -0.000440 0.001125 0.001841 0.000316 -0.003060 -0.005698 28O 1dxz 0.000099 -0.000357 -0.002218 -0.000549 -0.001071 -0.005860 28O 1dyz 0.004364 -0.003744 -0.001098 -0.000518 -0.000296 -0.003523 28O 1dx2y2 0.001705 -0.002592 0.001087 0.002565 0.001439 0.006838 28O 1dxy 0.000464 -0.000234 0.005168 0.001075 -0.000316 -0.001065 28O 2dz2 0.009994 0.001348 0.023579 -0.028496 -0.047601 -0.011780 28O 2dxz 0.063008 -0.030122 -0.001296 -0.033351 -0.000684 0.038109 28O 2dyz 0.044804 -0.012484 -0.008820 -0.064725 -0.145889 -0.001645 28O 2dx2y2 0.001191 -0.002948 -0.003131 -0.045783 -0.012507 -0.007169 28O 2dxy 0.037647 -0.008677 0.024532 0.007397 -0.090171 0.006954 28O 1f0 -0.002248 0.004931 0.002306 -0.000418 -0.002336 -0.001776 28O 1f+1 0.001783 -0.001242 -0.000817 0.000022 -0.001197 0.001553 28O 1f-1 -0.001322 0.000662 -0.001024 -0.002799 -0.006097 -0.000903 28O 1f+2 0.001045 -0.002680 0.002291 0.002841 0.004817 0.000986 28O 1f-2 0.001189 0.000614 0.002504 -0.000990 -0.003482 0.000132 28O 1f+3 0.001085 -0.000794 0.002545 0.000632 0.000668 0.001097 28O 1f-3 0.000070 0.000613 0.000951 0.000383 0.000871 0.000919 29O 1s -0.000563 0.001037 -0.001512 -0.000185 -0.000094 -0.013030 29O 2s -0.002050 0.002168 -0.002777 -0.000677 0.000227 -0.029658 29O 3s 0.014895 0.000433 -0.010830 0.005431 -0.011518 -0.000755 29O 4s -0.043064 -0.009705 0.105362 -0.011350 0.038056 0.647933 29O 5s 0.071064 -0.115191 -0.176732 -0.003876 0.029812 -1.828143 29O 1pz 0.000656 0.001800 0.004405 0.020753 0.009844 0.021671 29O 1px 0.004089 0.012395 -0.008236 0.004416 -0.003715 -0.042433 29O 1py 0.006955 0.007508 -0.004247 -0.009932 0.017285 0.002016 29O 2pz 0.007757 -0.009608 0.010967 -0.008013 -0.009945 0.043690 29O 2px 0.020739 0.037362 -0.040687 -0.007424 0.005509 -0.100710 29O 2py 0.021663 0.015864 -0.016814 0.002019 -0.008745 0.025829 29O 3pz -0.033351 -0.015609 -0.041206 -0.022238 0.000704 -0.291715 29O 3px -0.148633 0.017917 0.054030 -0.011645 0.023761 0.745701 29O 3py -0.149403 -0.000964 0.090838 0.031649 -0.063530 0.069701 29O 1dz2 0.000486 -0.002044 0.001970 -0.000321 0.000363 0.001235 29O 1dxz -0.002103 -0.001889 0.002186 -0.000247 -0.000207 0.001685 29O 1dyz -0.000548 -0.000144 -0.000140 -0.000570 -0.000451 -0.000081 29O 1dx2y2 0.000268 0.002581 -0.001114 -0.000360 0.000304 -0.001424 29O 1dxy -0.001221 0.000709 -0.000472 -0.000235 0.000133 0.000207 29O 2dz2 -0.019918 -0.019119 0.005676 -0.020620 0.016638 -0.009115 29O 2dxz 0.016055 0.018124 -0.021949 0.016431 0.037344 0.043366 29O 2dyz 0.003564 0.015392 -0.008282 0.030552 -0.000217 0.017404 29O 2dx2y2 -0.002391 -0.076730 0.043903 0.006344 0.000270 -0.057513 29O 2dxy -0.011761 -0.015031 0.017465 -0.014034 0.027631 -0.013453 29O 1f0 0.001519 0.000463 -0.001086 0.000619 -0.000940 0.001520 29O 1f+1 0.000830 0.000016 0.000342 0.000582 0.000996 -0.000274 29O 1f-1 0.001504 0.000981 -0.000677 -0.000020 -0.001190 0.001827 29O 1f+2 -0.002012 -0.000729 0.001070 -0.000336 -0.000047 -0.001376 29O 1f-2 -0.001257 0.000205 0.000091 0.000283 -0.000674 0.000191 29O 1f+3 -0.000199 -0.001984 0.000590 0.000298 -0.000068 -0.001021 29O 1f-3 0.002501 -0.001130 -0.000002 -0.000898 0.001281 -0.001089 30O 1s 0.000997 -0.000129 0.001343 0.004095 -0.004600 0.000397 30O 2s 0.002495 -0.001497 0.002699 0.004006 -0.007150 -0.000795 30O 3s -0.003218 0.019526 0.011759 0.104360 -0.066341 0.042069 30O 4s -0.055848 -0.178564 -0.077516 -0.660980 0.576831 -0.254542 30O 5s 0.275765 1.012037 -0.234695 0.486214 -1.323924 -0.441806 30O 1pz 0.043688 -0.007090 0.007538 0.006295 0.003196 0.014929 30O 1px 0.018510 0.025251 -0.010179 -0.001707 -0.007509 -0.028735 30O 1py 0.050980 -0.007256 0.012640 0.021161 -0.013090 0.012552 30O 2pz 0.055999 0.012600 0.128764 -0.027090 0.013908 0.030534 30O 2px 0.060713 0.084704 -0.062010 -0.208029 0.072911 -0.105265 30O 2py 0.068139 0.028851 0.035917 0.133992 -0.095874 0.048199 30O 3pz 0.464152 -0.189846 -0.323721 0.405207 -0.029331 0.655238 30O 3px 0.030789 0.230928 -0.075586 0.095039 -0.316428 -0.582728 30O 3py -0.050886 0.025843 -0.174754 -0.549456 0.425799 -0.884981 30O 1dz2 0.006398 0.003762 0.000900 0.000592 0.000890 0.000244 30O 1dxz -0.005064 -0.000454 -0.001876 -0.001615 -0.000161 -0.005145 30O 1dyz -0.001089 0.002485 -0.002021 -0.000138 -0.002433 0.002339 30O 1dx2y2 0.000839 -0.001768 0.000631 0.003876 -0.000036 0.007602 30O 1dxy -0.003689 0.000346 -0.002654 -0.000103 -0.000293 0.004480 30O 2dz2 -0.026501 0.033756 0.014380 0.062296 -0.025527 -0.000126 30O 2dxz -0.056668 -0.012129 0.001125 -0.041181 -0.038767 0.022266 30O 2dyz -0.000565 0.002628 0.001515 0.147997 -0.052447 0.022669 30O 2dx2y2 -0.023221 0.011234 0.005048 0.001465 -0.022862 0.008015 30O 2dxy -0.049602 0.023554 -0.019530 0.060543 -0.067774 -0.029965 30O 1f0 0.001594 0.001833 0.001079 0.002513 -0.000832 -0.000449 30O 1f+1 -0.003772 -0.000686 -0.001271 0.000983 -0.000097 0.000125 30O 1f-1 -0.002407 -0.002308 -0.002928 -0.000166 -0.001195 -0.000680 30O 1f+2 -0.000825 -0.002629 0.001689 0.005600 -0.001988 0.002751 30O 1f-2 0.000451 -0.000681 0.001660 0.004878 -0.002344 0.000489 30O 1f+3 0.001959 -0.000657 0.001862 -0.001877 0.001872 0.001061 30O 1f-3 -0.000625 -0.002274 0.003189 0.002485 -0.000571 0.001158 31O 1s 0.000987 -0.000109 0.001353 0.004102 -0.004553 -0.000074 31O 2s 0.002468 -0.001449 0.002734 0.003984 -0.007031 0.001270 31O 3s -0.003091 0.019434 0.011436 0.105429 -0.066616 -0.036915 31O 4s -0.055729 -0.179184 -0.076913 -0.667001 0.576111 0.212516 31O 5s 0.265116 1.022097 -0.230519 0.461285 -1.311999 0.533247 31O 1pz -0.044131 0.007152 -0.007976 -0.006544 -0.003012 0.014773 31O 1px -0.018538 -0.025715 0.010385 0.002807 0.007229 -0.029254 31O 1py -0.051344 0.006454 -0.012199 -0.021500 0.013440 0.010998 31O 2pz -0.056096 -0.012359 -0.129899 0.026594 -0.013947 0.033187 31O 2px -0.060117 -0.085600 0.061468 0.211891 -0.073807 -0.098827 31O 2py -0.069254 -0.031005 -0.035294 -0.135442 0.097463 0.039979 31O 3pz -0.475700 0.192369 0.330325 -0.430431 0.037695 0.638355 31O 3px -0.025221 -0.236028 0.074203 -0.073368 0.307542 -0.607082 31O 3py 0.059190 -0.023701 0.170267 0.581924 -0.438284 -0.855466 31O 1dz2 0.006445 0.003816 0.000907 0.000572 0.000884 -0.000170 31O 1dxz -0.005136 -0.000437 -0.001876 -0.001788 -0.000081 0.005128 31O 1dyz -0.001107 0.002505 -0.002031 -0.000076 -0.002486 -0.002210 31O 1dx2y2 0.000897 -0.001774 0.000620 0.004115 -0.000148 -0.007467 31O 1dxy -0.003671 0.000295 -0.002667 0.000067 -0.000353 -0.004531 31O 2dz2 -0.026511 0.033490 0.014362 0.062348 -0.025664 0.002420 31O 2dxz -0.056898 -0.013025 0.000974 -0.040194 -0.039006 -0.023498 31O 2dyz -0.000310 0.002944 0.001037 0.148353 -0.052851 -0.016847 31O 2dx2y2 -0.023421 0.010818 0.004956 0.001526 -0.022872 -0.007309 31O 2dxy -0.049694 0.023658 -0.019520 0.059522 -0.067739 0.032919 31O 1f0 -0.001594 -0.001835 -0.001116 -0.002485 0.000827 -0.000529 31O 1f+1 0.003780 0.000718 0.001272 -0.000995 0.000106 0.000128 31O 1f-1 0.002423 0.002322 0.002949 0.000185 0.001186 -0.000689 31O 1f+2 0.000797 0.002641 -0.001655 -0.005700 0.002033 0.002561 31O 1f-2 -0.000459 0.000661 -0.001615 -0.004903 0.002356 0.000321 31O 1f+3 -0.001964 0.000646 -0.001885 0.001845 -0.001848 0.001164 31O 1f-3 0.000633 0.002257 -0.003144 -0.002527 0.000591 0.001052 32O 1s -0.000631 0.001114 -0.001509 -0.000614 0.000076 0.013078 32O 2s -0.002193 0.002335 -0.002779 -0.001632 0.000620 0.029770 32O 3s 0.014714 0.000599 -0.010661 0.004914 -0.011626 0.000786 32O 4s -0.038680 -0.014338 0.104470 0.011941 0.030377 -0.649875 32O 5s 0.058420 -0.103173 -0.174770 -0.065265 0.051895 1.831397 32O 1pz -0.000651 -0.001466 -0.004365 -0.021479 -0.009604 0.020885 32O 1px -0.003555 -0.012355 0.008153 -0.002834 0.003213 -0.043115 32O 1py -0.006806 -0.007486 0.004362 0.009731 -0.017228 0.002557 32O 2pz -0.008049 0.009519 -0.010950 0.006661 0.010015 0.042623 32O 2px -0.019091 -0.038268 0.040746 0.010468 -0.006857 -0.101022 32O 2py -0.022073 -0.015857 0.016761 -0.001787 0.009547 0.025730 32O 3pz 0.035304 0.016492 0.043350 0.032419 -0.003739 -0.288498 32O 3px 0.137892 -0.011448 -0.054052 -0.012687 -0.013150 0.748581 32O 3py 0.148021 0.001964 -0.089044 -0.034478 0.061770 0.069938 32O 1dz2 0.000538 -0.002099 0.001989 -0.000255 0.000354 -0.001248 32O 1dxz -0.002081 -0.001900 0.002199 -0.000180 -0.000215 -0.001669 32O 1dyz -0.000589 -0.000207 -0.000084 -0.000599 -0.000423 0.000022 32O 1dx2y2 0.000267 0.002577 -0.001101 -0.000376 0.000332 0.001455 32O 1dxy -0.001241 0.000685 -0.000449 -0.000225 0.000125 -0.000211 32O 2dz2 -0.020367 -0.019513 0.006132 -0.020911 0.016479 0.008936 32O 2dxz 0.016562 0.017248 -0.022514 0.018318 0.036738 -0.042833 32O 2dyz 0.003027 0.013295 -0.006941 0.030500 0.000924 -0.015579 32O 2dx2y2 -0.002488 -0.077140 0.043963 0.004482 0.000861 0.060050 32O 2dxy -0.011297 -0.017125 0.018132 -0.014976 0.028371 0.013020 32O 1f0 -0.001466 -0.000412 0.001026 -0.000635 0.000875 0.001348 32O 1f+1 -0.000855 0.000021 -0.000341 -0.000558 -0.001075 -0.000341 32O 1f-1 -0.001571 -0.000991 0.000687 -0.000029 0.001261 0.001861 32O 1f+2 0.001991 0.000768 -0.001100 0.000380 -0.000050 -0.001437 32O 1f-2 0.001315 -0.000198 -0.000121 -0.000244 0.000669 0.000158 32O 1f+3 0.000289 0.001939 -0.000584 -0.000337 0.000081 -0.001019 32O 1f-3 -0.002503 0.001145 0.000009 0.000937 -0.001287 -0.001045 33O 1s -0.005679 -0.002180 -0.002023 -0.000505 0.006250 -0.000542 33O 2s -0.009419 -0.005012 -0.003700 -0.003261 0.008599 0.000040 33O 3s -0.061752 -0.005229 -0.017110 0.041090 0.111371 -0.033290 33O 4s 0.632732 0.053332 0.247324 -0.135330 -0.819876 0.205028 33O 5s -2.444447 0.529680 -1.009633 -0.357117 1.004357 0.701941 33O 1pz 0.010524 -0.016627 -0.004920 0.005637 0.016816 -0.005303 33O 1px 0.079415 -0.028047 0.004828 0.009373 0.002542 -0.038609 33O 1py 0.010455 0.005646 0.008122 -0.003106 0.005155 0.001382 33O 2pz -0.071468 -0.026543 -0.046794 0.055453 0.102482 -0.028453 33O 2px 0.139411 -0.134123 0.002509 0.105994 0.186767 -0.115238 33O 2py -0.040718 0.055485 0.089778 0.022286 0.135759 -0.027453 33O 3pz 0.188385 0.339082 -0.025432 -0.373396 -0.551438 1.025497 33O 3px 0.263527 -0.067414 0.357355 0.114126 -0.089630 -0.797141 33O 3py 0.200302 -0.167589 -0.044192 0.040803 -0.476013 0.372568 33O 1dz2 -0.000410 0.001248 0.001869 0.000163 -0.002904 0.005593 33O 1dxz 0.000005 -0.000346 -0.002250 -0.000749 -0.001006 0.005889 33O 1dyz 0.004287 -0.003736 -0.001089 -0.000641 -0.000323 0.003561 33O 1dx2y2 0.001782 -0.002647 0.001093 0.002803 0.001373 -0.006748 33O 1dxy 0.000544 -0.000177 0.005147 0.001060 -0.000239 0.001069 33O 2dz2 0.009638 0.001375 0.023085 -0.028777 -0.047100 0.010886 33O 2dxz 0.063274 -0.030599 -0.001560 -0.032036 -0.001314 -0.038411 33O 2dyz 0.044521 -0.012786 -0.008921 -0.064826 -0.145977 0.001885 33O 2dx2y2 0.000196 -0.002639 -0.003477 -0.045947 -0.012875 0.006294 33O 2dxy 0.038093 -0.008267 0.024258 0.007670 -0.089869 -0.005359 33O 1f0 0.002279 -0.004993 -0.002300 0.000461 0.002282 -0.001682 33O 1f+1 -0.001780 0.001258 0.000854 -0.000082 0.001211 0.001538 33O 1f-1 0.001359 -0.000694 0.001019 0.002829 0.006093 -0.000924 33O 1f+2 -0.001110 0.002725 -0.002329 -0.002886 -0.004857 0.000964 33O 1f-2 -0.001220 -0.000646 -0.002497 0.000966 0.003455 0.000131 33O 1f+3 -0.001140 0.000829 -0.002569 -0.000667 -0.000667 0.001046 33O 1f-3 -0.000114 -0.000616 -0.000944 -0.000425 -0.000873 0.000948 34O 1s 0.003486 -0.000147 0.002455 -0.003526 -0.002235 0.001995 34O 2s 0.005888 -0.000756 0.005446 -0.001865 -0.006845 0.001889 34O 3s 0.041174 0.005157 0.007110 -0.121516 0.033430 0.054962 34O 4s -0.377433 -0.099963 -0.119574 0.725718 0.004429 -0.433254 34O 5s 0.766424 0.739063 0.103643 -0.575689 -0.830465 0.949255 34O 1pz 0.024560 -0.004492 -0.006850 0.002824 0.001243 -0.006457 34O 1px 0.005050 0.001448 0.011891 -0.001850 -0.003523 -0.000503 34O 1py 0.032181 0.016902 -0.022556 0.018402 -0.003827 -0.031693 34O 2pz 0.027914 -0.056757 -0.076928 -0.115920 0.028037 0.006544 34O 2px -0.039078 0.028110 -0.046248 0.110198 -0.067279 0.033320 34O 2py -0.003644 0.015403 -0.052025 0.180108 -0.067751 -0.103600 34O 3pz 0.396036 0.004053 0.181233 0.293622 0.177634 -0.225480 34O 3px 0.246744 0.410392 -0.110818 0.283443 -0.307009 -0.739181 34O 3py 0.428199 -0.039266 0.172486 -0.418854 0.072903 0.470644 34O 1dz2 0.000731 0.001386 -0.002104 -0.000171 -0.002123 -0.000174 34O 1dxz -0.006163 0.003617 0.002587 0.000496 -0.002383 -0.000961 34O 1dyz 0.002062 0.002763 -0.001896 0.000732 -0.000694 0.004261 34O 1dx2y2 -0.003151 -0.000722 0.000286 -0.003130 0.001141 0.006982 34O 1dxy -0.003822 0.000623 0.001961 -0.004353 0.000530 0.006230 34O 2dz2 0.050912 0.006431 -0.004268 -0.038478 0.069220 0.010169 34O 2dxz -0.029258 0.027993 0.016348 -0.012791 -0.028645 0.003027 34O 2dyz 0.030103 0.016012 -0.029359 -0.158113 0.045095 -0.000030 34O 2dx2y2 0.014779 0.027720 -0.005887 -0.027156 0.028603 -0.007764 34O 2dxy -0.013595 0.000905 0.020488 -0.074828 -0.006195 0.036619 34O 1f0 -0.001776 0.001764 0.001733 0.003974 -0.002687 -0.000137 34O 1f+1 -0.000167 -0.002376 -0.000431 -0.001110 0.001192 -0.001269 34O 1f-1 -0.000036 0.000363 0.000378 0.000406 -0.000832 0.001075 34O 1f+2 0.000897 -0.001509 -0.000859 0.003325 -0.000777 0.000996 34O 1f-2 -0.001002 0.002175 0.001172 0.001644 -0.001387 0.001003 34O 1f+3 -0.000140 -0.002209 0.004547 -0.005823 0.001743 0.000421 34O 1f-3 -0.001414 0.000153 -0.000404 0.000983 0.000146 0.001818 35O 1s 0.004833 -0.001766 -0.003299 -0.002475 -0.001278 0.002409 35O 2s 0.006999 -0.003880 -0.005285 -0.002421 0.002793 0.002528 35O 3s 0.074068 -0.007968 -0.041341 -0.063823 -0.112442 0.062103 35O 4s -0.643557 0.055428 0.440228 0.440226 0.551213 -0.507784 35O 5s 2.022114 0.320880 -1.572416 -0.709411 0.041922 1.237709 35O 1pz -0.041824 -0.020716 0.014558 -0.006458 -0.014916 0.025484 35O 1px 0.059137 -0.005642 -0.018242 -0.004583 0.003701 0.006615 35O 1py -0.008726 0.001658 -0.005404 -0.005533 0.006923 0.007774 35O 2pz 0.005303 -0.052972 -0.042796 -0.098500 -0.189658 0.093556 35O 2px 0.104652 0.033924 -0.073257 0.043855 0.144000 0.028427 35O 2py 0.049532 0.061792 0.029737 -0.027200 -0.041261 0.040012 35O 3pz -0.454945 0.124612 0.452026 0.343204 0.299453 -0.464008 35O 3px -0.069882 0.322569 -0.210402 0.034594 0.266691 -0.542725 35O 3py -0.133991 -0.048116 -0.130174 0.105883 0.305691 -0.432898 35O 1dz2 -0.000357 -0.001726 0.000044 -0.000315 0.001489 -0.004922 35O 1dxz 0.002569 0.002107 -0.001176 0.000658 0.005180 -0.004546 35O 1dyz -0.002612 -0.001750 0.002897 0.001560 0.000793 -0.007075 35O 1dx2y2 0.000835 -0.000860 0.003132 -0.001611 -0.001994 0.002961 35O 1dxy -0.002172 -0.002343 -0.000303 0.001337 -0.000342 -0.001060 35O 2dz2 -0.035291 -0.028614 0.042353 0.069545 0.047614 -0.001249 35O 2dxz 0.034817 0.027758 0.004296 -0.011793 0.003343 -0.023916 35O 2dyz -0.059497 -0.014557 0.023333 0.039404 0.166890 -0.013944 35O 2dx2y2 0.029987 0.007191 0.017895 -0.000238 0.017629 -0.006960 35O 2dxy 0.006811 0.004086 -0.017408 0.061921 0.035682 -0.024579 35O 1f0 0.000871 0.000859 -0.000704 -0.000179 0.000219 -0.000952 35O 1f+1 -0.000853 -0.004330 0.000071 -0.000051 -0.002861 -0.000128 35O 1f-1 0.000049 -0.002064 -0.000907 -0.002384 -0.006194 -0.000784 35O 1f+2 -0.001671 -0.000287 -0.000837 0.001864 0.000767 0.002015 35O 1f-2 -0.002531 -0.000516 0.001424 -0.001050 -0.002352 0.001249 35O 1f+3 -0.001001 0.000148 0.003348 -0.001736 -0.002345 0.000567 35O 1f-3 0.000322 -0.002044 0.001911 -0.000941 -0.001662 -0.000642 288 289 290 291 292 293 1.15911 1.17678 1.21401 1.22112 1.24050 1.25012 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s -0.000382 -0.007010 0.000000 -0.000058 -0.000114 0.000078 0Rh 2s 0.001080 0.021811 0.000154 -0.000294 0.000488 -0.000213 0Rh 3s -0.001568 -0.027586 0.000096 -0.000522 -0.000367 0.000326 0Rh 4s -0.004853 -0.098852 -0.000787 0.001554 -0.002325 0.001004 0Rh 5s 0.000416 0.025118 0.002283 -0.005714 0.003088 -0.000972 0Rh 6s 0.028689 0.524104 -0.004718 0.013633 0.001260 -0.000855 0Rh 7s -0.135505 -2.301387 -0.030593 -0.121971 0.036535 0.001022 0Rh 8s 0.049171 0.561334 0.284270 -0.353049 0.005268 0.142898 0Rh 1pz 0.002145 -0.000973 0.005978 0.012574 -0.009202 0.008018 0Rh 1px 0.001124 0.008424 -0.004033 0.003854 0.003166 0.009572 0Rh 1py 0.004905 0.001572 0.011209 -0.008731 -0.013782 -0.010500 0Rh 2pz -0.007132 0.003526 -0.020152 -0.043282 0.031356 -0.026363 0Rh 2px -0.003818 -0.028863 0.013828 -0.013220 -0.010441 -0.031935 0Rh 2py -0.016286 -0.005342 -0.038922 0.029288 0.045794 0.034397 0Rh 3pz -0.000875 -0.005778 0.003492 0.025955 -0.011868 -0.010611 0Rh 3px 0.001372 0.014725 -0.007305 0.006439 -0.003006 -0.002049 0Rh 3py -0.002474 0.001924 0.030237 -0.001437 0.007432 0.016509 0Rh 4pz 0.043619 0.003270 0.096164 0.132191 -0.126652 0.193008 0Rh 4px 0.014987 0.103078 -0.045871 0.050341 0.067891 0.184763 0Rh 4py 0.100973 0.021869 0.091763 -0.156611 -0.286662 -0.261224 0Rh 5pz -0.069468 -0.003659 -0.117771 -0.110424 0.160191 -0.311051 0Rh 5px -0.016956 -0.163261 0.047393 -0.079421 -0.085571 -0.256825 0Rh 5py -0.156372 -0.033236 -0.051555 0.208989 0.417422 0.404161 0Rh 6pz 0.116265 0.038350 -0.484312 -1.465482 0.181500 0.516550 0Rh 6px -0.000508 -0.150426 0.121068 0.347260 -0.293440 -0.136447 0Rh 6py -0.097701 -0.017293 -1.466626 0.472570 0.195122 -0.092143 0Rh 1dz2 -0.012916 -0.034778 -0.012663 -0.028241 -0.014965 0.021519 0Rh 1dxz 0.009189 -0.049502 0.010538 0.041289 -0.018621 -0.001741 0Rh 1dyz -0.036251 -0.007208 -0.037792 -0.005389 -0.066815 0.055263 0Rh 1dx2y2 0.005932 0.066546 -0.016085 0.006790 -0.012164 0.007549 0Rh 1dxy -0.014733 0.030695 0.034358 -0.015312 -0.030988 0.030738 0Rh 2dz2 0.001736 0.006033 0.002677 0.005633 0.002662 -0.004415 0Rh 2dxz -0.001583 0.009082 -0.001915 -0.009053 0.003801 0.001063 0Rh 2dyz 0.004512 0.001516 0.007847 0.001074 0.013325 -0.009285 0Rh 2dx2y2 -0.001400 -0.012070 0.003382 -0.000935 0.002753 -0.000659 0Rh 2dxy 0.002541 -0.005824 -0.007257 0.002658 0.004502 -0.007516 0Rh 3dz2 0.020890 0.049465 0.016182 0.037883 0.021209 -0.028275 0Rh 3dxz -0.013200 0.068791 -0.015030 -0.051890 0.024717 -0.000728 0Rh 3dyz 0.060195 0.008910 0.049009 0.007048 0.089477 -0.081690 0Rh 3dx2y2 -0.006607 -0.093037 0.020904 -0.011136 0.015049 -0.013955 0Rh 3dxy 0.021501 -0.042013 -0.044516 0.022216 0.048954 -0.035418 0Rh 4dz2 0.025462 0.120671 0.048767 0.101218 0.052686 -0.082078 0Rh 4dxz -0.030052 0.176531 -0.034036 -0.162772 0.068374 0.018022 0Rh 4dyz 0.070020 0.028911 0.145014 0.021451 0.248215 -0.180152 0Rh 4dx2y2 -0.029943 -0.235970 0.060305 -0.013895 0.049534 -0.015252 0Rh 4dxy 0.037871 -0.111298 -0.129024 0.051696 0.088700 -0.134650 0Rh 5dz2 0.113554 -0.426594 -0.140553 -0.254983 -0.161896 0.251882 0Rh 5dxz 0.061302 -0.614138 0.068531 0.481024 -0.187012 -0.094839 0Rh 5dyz 0.274558 -0.102571 -0.434876 -0.086807 -0.732355 0.481159 0Rh 5dx2y2 0.161789 0.844362 -0.163095 -0.038046 -0.154049 0.014116 0Rh 5dxy 0.081667 0.384804 0.341373 -0.145674 -0.178954 0.460312 0Rh 1f0 0.006260 0.005600 0.013697 -0.015070 -0.000641 -0.003400 0Rh 1f+1 -0.017659 -0.000796 0.005344 0.020221 -0.016298 -0.001324 0Rh 1f-1 0.007349 -0.003148 0.035888 0.015669 -0.006322 -0.013997 0Rh 1f+2 0.010820 -0.004253 0.000787 -0.024662 0.000027 -0.015102 0Rh 1f-2 -0.034311 -0.002040 0.021565 -0.011667 -0.028184 0.003875 0Rh 1f+3 0.002972 -0.007196 -0.006881 0.032871 -0.001710 -0.008226 0Rh 1f-3 0.021614 -0.004818 0.019989 0.002532 -0.002086 -0.014811 1Rh 1s -0.000370 -0.006998 0.000031 0.000064 0.000148 0.000051 1Rh 2s 0.001009 0.021753 -0.000258 0.000260 -0.000576 -0.000254 1Rh 3s -0.001544 -0.027553 0.000024 0.000536 0.000513 0.000143 1Rh 4s -0.004516 -0.098578 0.001266 -0.001390 0.002714 0.001175 1Rh 5s -0.000068 0.024794 -0.002515 0.005439 -0.002970 -0.000717 1Rh 6s 0.028526 0.523706 0.002722 -0.013366 -0.004297 -0.005020 1Rh 7s -0.136050 -2.302642 0.035785 0.115944 -0.025923 0.004205 1Rh 8s 0.038173 0.546035 -0.283911 0.361991 -0.008728 -0.125762 1Rh 1pz -0.002024 0.000953 0.005929 0.012561 -0.009211 0.007683 1Rh 1px -0.001322 -0.008342 -0.003936 0.003985 0.003196 0.010473 1Rh 1py -0.004862 -0.001561 0.011193 -0.008689 -0.013864 -0.010238 1Rh 2pz 0.006716 -0.003455 -0.019990 -0.043238 0.031388 -0.025254 1Rh 2px 0.004484 0.028582 0.013505 -0.013653 -0.010546 -0.034930 1Rh 2py 0.016126 0.005302 -0.038866 0.029146 0.046074 0.033521 1Rh 3pz 0.001101 0.005694 0.003480 0.025947 -0.011879 -0.010357 1Rh 3px -0.001505 -0.014590 -0.007328 0.006300 -0.002903 -0.002489 1Rh 3py 0.002780 -0.001802 0.030193 -0.001466 0.007402 0.016491 1Rh 4pz -0.042221 -0.003257 0.095309 0.131986 -0.126801 0.185740 1Rh 4px -0.018162 -0.102248 -0.043957 0.053284 0.068186 0.203187 1Rh 4py -0.101431 -0.022179 0.091622 -0.155715 -0.288182 -0.256172 1Rh 5pz 0.067444 0.002871 -0.116537 -0.110058 0.160529 -0.299067 1Rh 5px 0.022036 0.163690 0.044082 -0.084024 -0.086912 -0.285249 1Rh 5py 0.158821 0.034151 -0.051286 0.207760 0.420302 0.395507 1Rh 6pz -0.109525 -0.022653 -0.480701 -1.470867 0.185736 0.487317 1Rh 6px -0.030745 0.109849 0.131945 0.355824 -0.279155 -0.096591 1Rh 6py 0.050175 0.007706 -1.477152 0.468669 0.165437 -0.041318 1Rh 1dz2 -0.012744 -0.034462 0.013083 0.028102 0.015167 -0.021076 1Rh 1dxz 0.009333 -0.049276 -0.010448 -0.041173 0.019139 0.002425 1Rh 1dyz -0.036152 -0.006762 0.038406 0.005204 0.066419 -0.055254 1Rh 1dx2y2 0.005558 0.066313 0.015538 -0.006868 0.011280 -0.008373 1Rh 1dxy -0.015065 0.030715 -0.034217 0.015132 0.030863 -0.031678 1Rh 2dz2 0.001680 0.005952 -0.002756 -0.005594 -0.002679 0.004366 1Rh 2dxz -0.001616 0.009034 0.001907 0.009035 -0.003903 -0.001114 1Rh 2dyz 0.004490 0.001400 -0.007972 -0.001032 -0.013222 0.009316 1Rh 2dx2y2 -0.001292 -0.012009 -0.003291 0.000941 -0.002600 0.000767 1Rh 2dxy 0.002615 -0.005817 0.007224 -0.002615 -0.004453 0.007645 1Rh 3dz2 0.020766 0.049132 -0.016759 -0.037744 -0.021580 0.027516 1Rh 3dxz -0.013363 0.068512 0.014865 0.051713 -0.025419 -0.000556 1Rh 3dyz 0.060081 0.008441 -0.049824 -0.006822 -0.089053 0.081539 1Rh 3dx2y2 -0.006275 -0.092800 -0.020101 0.011281 -0.013764 0.015302 1Rh 3dxy 0.021907 -0.042085 0.044350 -0.022007 -0.048893 0.036937 1Rh 4dz2 0.024390 0.119129 -0.050241 -0.100568 -0.053094 0.080904 1Rh 4dxz -0.030809 0.175532 0.033821 0.162412 -0.070300 -0.019505 1Rh 4dyz 0.069549 0.026795 -0.147193 -0.020699 -0.246299 0.180630 1Rh 4dx2y2 -0.027833 -0.234745 -0.058469 0.014046 -0.046505 0.017689 1Rh 4dxy 0.039216 -0.111198 0.128482 -0.050934 -0.087853 0.137425 1Rh 5dz2 0.119082 -0.419844 0.144566 0.252800 0.162107 -0.248679 1Rh 5dxz 0.065543 -0.609639 -0.067496 -0.480214 0.193386 0.099548 1Rh 5dyz 0.277326 -0.093980 0.440123 0.084101 0.723658 -0.484767 1Rh 5dx2y2 0.151747 0.838398 0.157344 0.037993 0.144082 -0.022644 1Rh 5dxy 0.077703 0.384033 -0.340502 0.143265 0.174433 -0.468693 1Rh 1f0 -0.005673 -0.005351 0.013773 -0.015213 -0.000408 -0.004415 1Rh 1f+1 0.017658 0.000514 0.005268 0.020349 -0.016229 -0.001071 1Rh 1f-1 -0.006935 0.002998 0.036094 0.015681 -0.006069 -0.014068 1Rh 1f+2 -0.010670 0.003813 0.000984 -0.024550 0.000369 -0.014746 1Rh 1f-2 0.034843 0.002013 0.021493 -0.011537 -0.027943 0.003848 1Rh 1f+3 -0.003520 0.006593 -0.006825 0.033106 -0.001826 -0.007167 1Rh 1f-3 -0.021608 0.004511 0.020262 0.002612 -0.001968 -0.014455 2C 1s -0.001062 0.003602 -0.004394 -0.004053 0.004544 -0.001176 2C 2s -0.010407 0.008087 -0.006159 -0.005732 0.007956 -0.003377 2C 3s 0.331756 0.026771 -0.174441 -0.131997 0.129515 0.031435 2C 4s -1.403321 -0.473020 1.078388 0.795364 -1.025921 -0.074787 2C 5s 2.283190 -2.977909 0.914709 0.128401 -1.640161 -0.172819 2C 1pz -0.028599 -0.037275 0.075645 0.093877 -0.071428 0.056986 2C 1px 0.025316 0.020251 0.078487 0.094298 0.062836 -0.013268 2C 1py -0.048581 -0.034084 0.065873 -0.009541 -0.074929 -0.072308 2C 2pz -0.972024 -0.240956 0.686612 0.439196 -0.468949 -0.079656 2C 2px -0.010675 0.018961 0.167636 0.182142 -0.331958 0.102927 2C 2py -0.581673 -0.180334 0.275407 0.455284 -0.357628 0.072616 2C 3pz -0.009551 -0.724499 0.297679 0.410845 -0.747142 -0.107159 2C 3px 0.225420 -0.203532 0.507496 0.496471 -0.017851 -0.304769 2C 3py -0.123303 -0.474348 0.587370 -0.032004 -0.212800 0.131045 2C 1dz2 0.000423 0.003477 -0.013375 -0.010208 -0.004724 -0.020252 2C 1dxz -0.006074 -0.002065 -0.008793 -0.009047 -0.000575 -0.008891 2C 1dyz 0.008691 0.006617 -0.006127 -0.004891 0.016430 0.011783 2C 1dx2y2 0.003836 0.002057 -0.000117 0.003618 -0.013888 -0.011267 2C 1dxy 0.002680 0.002058 -0.002438 -0.003213 0.000095 -0.003538 2C 2dz2 -0.323757 -0.069227 0.073722 0.392125 -0.214669 0.197443 2C 2dxz -0.369266 -0.141992 0.013998 0.113814 0.317367 -0.067650 2C 2dyz -0.527795 0.007482 0.490272 0.369903 -0.414392 -0.003078 2C 2dx2y2 0.430090 0.078657 -0.113715 0.217824 0.017423 0.182756 2C 2dxy -0.169549 0.036313 0.253503 0.043992 0.078083 -0.218564 2C 1f0 0.007788 0.000416 -0.004531 0.014156 -0.011216 0.014417 2C 1f+1 -0.001828 0.003157 0.015051 0.008683 -0.005032 -0.005485 2C 1f-1 -0.034793 -0.009563 0.012253 0.003610 -0.006143 -0.004928 2C 1f+2 -0.001939 -0.001716 -0.011612 -0.005664 0.016260 -0.002964 2C 1f-2 -0.005219 -0.006479 -0.001679 -0.000648 0.008334 -0.002574 2C 1f+3 -0.014591 -0.003209 0.001183 0.011250 0.002947 0.004450 2C 1f-3 0.006998 0.006128 0.010557 0.012052 -0.012483 0.003819 3C 1s 0.000918 0.003456 0.004561 -0.005420 -0.001609 -0.002094 3C 2s 0.010410 0.006279 0.006049 -0.008618 -0.005634 -0.005851 3C 3s -0.345981 0.086435 0.161643 -0.181948 0.040056 -0.007915 3C 4s 1.484285 -0.764062 -0.962025 1.223449 0.083241 0.443333 3C 5s -2.598975 -3.057965 -0.379377 1.471908 2.022434 3.327234 3C 1pz 0.053617 -0.069258 0.047074 0.052731 0.022965 0.062332 3C 1px 0.006929 -0.002753 -0.079201 0.026028 -0.083066 0.020815 3C 1py -0.024594 0.026367 0.113254 -0.116178 -0.025757 0.020575 3C 2pz 0.641692 -0.265097 -0.421884 0.184493 0.041847 0.145965 3C 2px 0.222440 -0.109328 -0.278557 0.447720 0.152571 -0.135607 3C 2py -0.989410 0.389005 0.613306 -0.699822 0.079498 -0.165012 3C 3pz 0.277383 -0.482583 0.309369 0.425576 0.334336 0.374613 3C 3px -0.097497 -0.330963 -0.421028 0.349963 -0.170602 0.412960 3C 3py 0.145921 0.827004 0.650846 -0.613346 -0.396455 -0.587715 3C 1dz2 0.001837 -0.002428 -0.003131 0.008493 0.007398 0.001471 3C 1dxz 0.002685 -0.000388 0.005490 -0.004433 0.002885 0.003688 3C 1dyz 0.010010 -0.009438 -0.004815 0.004861 -0.000600 0.007934 3C 1dx2y2 -0.003464 -0.000551 -0.009229 0.014814 0.001926 -0.002653 3C 1dxy 0.001456 -0.001642 -0.008634 0.008011 -0.002119 -0.000386 3C 2dz2 -0.037226 -0.030458 0.317979 -0.013360 0.083485 0.014522 3C 2dxz 0.472244 -0.113012 -0.001102 -0.106284 -0.260833 0.279668 3C 2dyz -0.459255 0.028644 0.339188 -0.666055 0.134479 0.355858 3C 2dx2y2 -0.410878 0.181488 0.266793 -0.131655 -0.241104 0.012320 3C 2dxy -0.455038 0.122074 0.321045 -0.034557 0.150854 -0.164849 3C 1f0 -0.028573 0.011728 0.009798 0.000402 -0.010062 -0.009355 3C 1f+1 -0.012516 0.006112 -0.005077 0.015787 -0.000656 -0.016605 3C 1f-1 -0.008970 -0.001417 0.000797 -0.009448 0.009648 0.007052 3C 1f+2 -0.011212 0.007764 -0.004317 -0.004797 -0.007564 -0.009670 3C 1f-2 -0.004513 0.002776 0.006057 -0.014615 0.000539 0.000609 3C 1f+3 0.019660 -0.004476 -0.012742 0.008954 -0.014931 0.004902 3C 1f-3 0.001443 -0.003573 0.011417 -0.022620 -0.004694 0.025149 4C 1s -0.011242 0.006021 0.012136 0.017302 -0.001611 -0.001019 4C 2s -0.028498 0.012912 0.032202 0.047035 -0.004139 -0.002543 4C 3s -0.079540 0.073320 0.036533 -0.105227 -0.065431 0.028887 4C 4s 1.869025 -1.290513 -0.608312 -0.346424 0.120677 -0.031089 4C 5s 3.736043 0.807331 -2.996609 -2.551069 1.052751 0.394205 4C 1pz -0.051858 -0.048169 0.065061 0.054256 -0.130869 0.053621 4C 1px 0.006250 -0.003820 0.058940 0.048455 0.070251 -0.046579 4C 1py -0.022443 -0.037707 0.063356 0.007253 -0.059661 -0.036684 4C 2pz -0.918399 -0.507863 0.580617 0.514611 -0.587122 -0.184628 4C 2px -0.188030 -0.084115 0.013206 -0.028998 -0.116343 -0.004700 4C 2py -0.572950 -0.350498 0.382802 0.431353 -0.211642 0.196697 4C 3pz 3.454443 -2.710870 0.332880 -0.928038 -1.261673 0.122672 4C 3px 0.506246 -0.478376 -0.264868 -0.395487 -0.593111 0.597878 4C 3py 2.424262 -1.854760 -0.528618 -0.283287 -1.402631 -0.461632 4C 1dz2 -0.002927 0.006833 0.001778 -0.003465 0.019295 0.020945 4C 1dxz -0.002862 0.005705 -0.001107 -0.003696 0.008863 0.009188 4C 1dyz -0.010458 0.003298 -0.015857 -0.012023 0.002312 -0.013156 4C 1dx2y2 0.000660 -0.012689 0.006604 0.004736 0.005740 0.016018 4C 1dxy -0.004478 -0.005507 -0.002900 -0.003343 0.001166 0.000125 4C 2dz2 0.462128 0.093949 -0.293467 -0.027145 0.274191 0.391075 4C 2dxz 0.171745 0.132156 0.157320 0.218575 0.451725 -0.042842 4C 2dyz 0.532440 0.090909 -0.589614 -0.666066 0.305470 -0.170872 4C 2dx2y2 -0.142892 -0.201288 -0.207292 -0.105875 0.072662 0.156235 4C 2dxy 0.123108 -0.051412 -0.225896 -0.211883 0.305012 -0.097066 4C 1f0 -0.006780 0.001572 0.004829 -0.003842 -0.005149 -0.004391 4C 1f+1 -0.003995 0.006792 0.016726 0.006571 -0.004435 -0.002476 4C 1f-1 -0.029360 0.001841 0.021088 0.019427 -0.010241 -0.002198 4C 1f+2 0.011979 -0.003727 -0.011622 -0.008919 0.000845 -0.012167 4C 1f-2 -0.007010 0.002693 0.006745 0.009262 -0.007995 -0.000897 4C 1f+3 -0.002596 0.000264 0.008966 0.007377 -0.000101 -0.002061 4C 1f-3 -0.000074 0.003090 0.009281 0.008464 0.002827 -0.001758 5C 1s 0.012218 0.003706 -0.018668 0.010184 -0.013519 -0.020335 5C 2s 0.030666 0.006706 -0.050423 0.027036 -0.037270 -0.055995 5C 3s 0.091690 0.101412 0.095335 0.064772 0.173344 0.266610 5C 4s -2.061665 -1.191080 0.478452 -0.529107 0.168339 0.209077 5C 5s -3.699522 1.261494 3.064487 -2.713712 0.316078 0.518653 5C 1pz 0.022060 -0.041881 0.006015 0.073376 0.027031 0.059116 5C 1px 0.022608 -0.023759 -0.072115 0.003321 -0.071376 0.115547 5C 1py -0.050587 0.057810 0.063338 -0.111041 -0.068710 -0.056004 5C 2pz 0.494347 -0.392226 -0.432151 0.386310 0.050193 0.002130 5C 2px 0.423596 -0.273185 -0.275549 0.242895 0.063891 0.016576 5C 2py -0.946881 0.679998 0.600034 -0.594561 0.113219 -0.060186 5C 3pz -2.510712 -1.640784 -0.008264 0.004433 1.065133 2.372735 5C 3px -1.208414 -1.039240 0.373304 0.277915 1.259543 0.984426 5C 3py 3.633268 2.720986 -1.031322 -0.863967 -2.100208 -3.694251 5C 1dz2 -0.003871 0.005799 -0.003784 -0.004781 -0.007173 0.000678 5C 1dxz 0.003839 0.007740 0.003887 -0.006687 -0.002612 0.001021 5C 1dyz -0.009203 0.000491 -0.008587 0.015663 0.005345 0.003210 5C 1dx2y2 -0.004070 -0.012942 -0.006052 0.002545 -0.005294 -0.001189 5C 1dxy -0.005372 -0.003585 -0.008071 0.007446 -0.002512 -0.001854 5C 2dz2 0.181137 0.058701 -0.147647 0.330493 -0.230067 -0.296997 5C 2dxz -0.140755 0.181279 -0.075557 -0.004761 -0.279486 -0.167461 5C 2dyz 0.522703 -0.098458 -0.811091 0.596747 -0.152718 -0.049734 5C 2dx2y2 0.478939 -0.292911 0.010779 0.010185 -0.080981 0.467563 5C 2dxy 0.304817 -0.160942 -0.083842 0.358272 0.269061 -0.117833 5C 1f0 -0.017509 0.004473 0.012621 -0.008903 0.010495 0.005569 5C 1f+1 -0.003558 0.005205 -0.004270 0.002930 0.000658 0.001260 5C 1f-1 -0.001697 0.000472 0.003934 -0.000326 -0.003506 -0.002553 5C 1f+2 -0.022784 0.002890 0.015815 -0.009816 0.003458 0.003717 5C 1f-2 -0.015172 -0.003954 0.014472 -0.018357 -0.000730 0.009255 5C 1f+3 0.012276 0.005981 -0.014625 0.018053 -0.009850 -0.009031 5C 1f-3 -0.008591 -0.005859 0.003607 -0.011390 0.000860 0.000469 6C 1s 0.012339 0.003844 0.018478 -0.009961 0.013744 0.021206 6C 2s 0.030951 0.007078 0.049907 -0.026419 0.037968 0.058482 6C 3s 0.093500 0.099651 -0.092743 -0.068700 -0.182766 -0.284654 6C 4s -2.072595 -1.190456 -0.464822 0.533341 -0.137471 -0.143486 6C 5s -3.743931 1.254040 -3.017406 2.692759 -0.330557 -0.513868 6C 1pz -0.022296 0.041983 0.006551 0.073744 0.025679 0.062214 6C 1px -0.022404 0.023605 -0.071874 0.003649 -0.071934 0.116149 6C 1py 0.051073 -0.058180 0.062060 -0.110590 -0.067610 -0.059892 6C 2pz -0.498083 0.389435 -0.424529 0.383201 0.038189 0.013028 6C 2px -0.424853 0.279963 -0.269190 0.239607 0.059667 0.013366 6C 2py 0.952823 -0.676380 0.585895 -0.590223 0.134048 -0.076824 6C 3pz 2.494134 1.642908 -0.018551 0.004179 1.030518 2.373166 6C 3px 1.194558 1.037733 0.378899 0.276965 1.247258 0.985606 6C 3py -3.628422 -2.727934 -1.020917 -0.867638 -2.044222 -3.706305 6C 1dz2 -0.003717 0.005835 0.003844 0.004790 0.007077 -0.000624 6C 1dxz 0.003905 0.007735 -0.003946 0.006672 0.002516 -0.001265 6C 1dyz -0.009181 0.000448 0.008602 -0.015624 -0.005323 -0.003075 6C 1dx2y2 -0.003983 -0.012913 0.006059 -0.002513 0.005461 0.001531 6C 1dxy -0.005328 -0.003490 0.008167 -0.007436 0.002667 0.002262 6C 2dz2 0.184188 0.061106 0.146799 -0.330127 0.226870 0.305926 6C 2dxz -0.139657 0.182397 0.081337 0.004669 0.273310 0.185652 6C 2dyz 0.529426 -0.097422 0.805839 -0.592853 0.156146 0.054748 6C 2dx2y2 0.476927 -0.293232 -0.019885 -0.009635 0.092555 -0.488978 6C 2dxy 0.309150 -0.159724 0.078278 -0.356077 -0.260922 0.101961 6C 1f0 0.017488 -0.004254 0.012223 -0.008743 0.011103 0.005116 6C 1f+1 0.003375 -0.005345 -0.004579 0.003049 0.001091 0.001302 6C 1f-1 0.001713 -0.000470 0.003903 -0.000335 -0.003487 -0.002747 6C 1f+2 0.022959 -0.003035 0.015454 -0.009639 0.003588 0.003401 6C 1f-2 0.015426 0.003788 0.014519 -0.018334 -0.001068 0.009406 6C 1f+3 -0.012546 -0.006190 -0.014744 0.018110 -0.009546 -0.008883 6C 1f-3 0.008857 0.005774 0.003729 -0.011485 0.000219 0.000365 7C 1s -0.011451 0.005995 -0.011874 -0.017360 0.001388 0.001603 7C 2s -0.029037 0.012858 -0.031450 -0.047197 0.003546 0.004239 7C 3s -0.080252 0.072434 -0.041480 0.106602 0.068931 -0.040711 7C 4s 1.886443 -1.282254 0.615350 0.349566 -0.113254 0.090591 7C 5s 3.780905 0.810540 2.946188 2.569879 -1.043357 -0.406725 7C 1pz 0.052567 0.047615 0.063896 0.055230 -0.129552 0.059421 7C 1px -0.005779 0.005379 0.058810 0.048654 0.070015 -0.045743 7C 1py 0.022334 0.037997 0.063475 0.009044 -0.058969 -0.031837 7C 2pz 0.922428 0.506408 0.566774 0.527744 -0.573601 -0.146355 7C 2px 0.189654 0.082190 0.011019 -0.027231 -0.113999 0.003707 7C 2py 0.578468 0.350878 0.375397 0.440994 -0.205381 0.221071 7C 3pz -3.472853 2.697390 0.333970 -0.904265 -1.232985 0.185657 7C 3px -0.507669 0.471687 -0.268678 -0.389067 -0.587440 0.630631 7C 3py -2.441168 1.851329 -0.529910 -0.270092 -1.386477 -0.418037 7C 1dz2 -0.002734 0.006742 -0.001855 0.003480 -0.019323 -0.021268 7C 1dxz -0.002842 0.005619 0.001027 0.003737 -0.009000 -0.009432 7C 1dyz -0.010433 0.003332 0.015786 0.011902 -0.002413 0.012842 7C 1dx2y2 0.000829 -0.012661 -0.006418 -0.004836 -0.005752 -0.015804 7C 1dxy -0.004504 -0.005477 0.003045 0.003347 -0.001098 -0.000445 7C 2dz2 0.464555 0.095435 0.287759 0.031030 -0.268056 -0.369467 7C 2dxz 0.168067 0.127238 -0.160795 -0.213007 -0.445044 0.070406 7C 2dyz 0.539391 0.091008 0.583379 0.672013 -0.300455 0.184468 7C 2dx2y2 -0.137912 -0.201166 0.207676 0.097807 -0.078200 -0.189516 7C 2dxy 0.125100 -0.052738 0.223535 0.210614 -0.305209 0.085017 7C 1f0 0.006801 -0.001456 0.004716 -0.004099 -0.005226 -0.004419 7C 1f+1 0.004227 -0.006709 0.016822 0.006304 -0.004721 -0.003203 7C 1f-1 0.029667 -0.001707 0.020804 0.019664 -0.009783 -0.001167 7C 1f+2 -0.012310 0.003707 -0.011757 -0.008897 0.001027 -0.012177 7C 1f-2 0.007030 -0.002892 0.006702 0.009374 -0.007851 -0.000666 7C 1f+3 0.002702 -0.000223 0.008921 0.007484 -0.000016 -0.001864 7C 1f-3 0.000267 -0.003002 0.009500 0.008300 0.002493 -0.002332 8C 1s 0.000864 0.003440 -0.004625 0.005463 0.001627 0.001901 8C 2s 0.010308 0.006247 -0.006363 0.008791 0.005819 0.005177 8C 3s -0.347516 0.086209 -0.155423 0.179181 -0.045331 0.018481 8C 4s 1.494904 -0.762434 0.935754 -1.213194 -0.055134 -0.486708 8C 5s -2.564208 -3.060487 0.381001 -1.471107 -1.976965 -3.325084 8C 1pz -0.053463 0.068803 0.047472 0.053034 0.021239 0.064152 8C 1px -0.006535 0.001448 -0.080254 0.026414 -0.083629 0.016749 8C 1py 0.026152 -0.026615 0.112544 -0.115180 -0.025913 0.021615 8C 2pz -0.643716 0.264750 -0.413526 0.183396 0.034740 0.161866 8C 2px -0.228635 0.107024 -0.277742 0.447575 0.146038 -0.130993 8C 2py 0.996146 -0.388517 0.598149 -0.694823 0.091951 -0.184611 8C 3pz -0.274961 0.482897 0.315763 0.428468 0.323834 0.393673 8C 3px 0.099977 0.330772 -0.427582 0.353640 -0.180128 0.401641 8C 3py -0.128542 -0.825575 0.640608 -0.606293 -0.382084 -0.591526 8C 1dz2 0.001830 -0.002487 0.003082 -0.008431 -0.007365 -0.001542 8C 1dxz 0.002587 -0.000473 -0.005585 0.004431 -0.002957 -0.003916 8C 1dyz 0.010056 -0.009408 0.004659 -0.004800 0.000830 -0.008174 8C 1dx2y2 -0.003419 -0.000596 0.009223 -0.014726 -0.001871 0.002903 8C 1dxy 0.001471 -0.001580 0.008624 -0.008010 0.002192 0.000701 8C 2dz2 -0.037405 -0.030675 -0.318239 0.014715 -0.081198 -0.021830 8C 2dxz 0.467439 -0.114366 -0.007914 0.105474 0.262832 -0.287937 8C 2dyz -0.464671 0.025819 -0.334657 0.664210 -0.137636 -0.357392 8C 2dx2y2 -0.415385 0.181130 -0.261770 0.130487 0.233685 0.002715 8C 2dxy -0.455432 0.122434 -0.316400 0.031500 -0.154253 0.172900 8C 1f0 0.028868 -0.011773 0.009623 0.000515 -0.009727 -0.010571 8C 1f+1 0.012053 -0.006204 -0.005584 0.015711 -0.000595 -0.017400 8C 1f-1 0.008912 0.001464 0.000559 -0.009514 0.009553 0.007207 8C 1f+2 0.011321 -0.007738 -0.004439 -0.004789 -0.007374 -0.010233 8C 1f-2 0.004563 -0.002767 0.005983 -0.014407 0.000485 0.000525 8C 1f+3 -0.019750 0.004479 -0.012528 0.009106 -0.014796 0.004638 8C 1f-3 -0.001302 0.003768 0.011584 -0.022570 -0.004801 0.025676 9C 1s -0.001041 0.003572 0.004408 0.004013 -0.004630 0.000959 9C 2s -0.010424 0.007994 0.006302 0.005517 -0.008329 0.002451 9C 3s 0.334033 0.027721 0.169852 0.137725 -0.122614 -0.012611 9C 4s -1.414171 -0.475545 -1.057355 -0.823011 0.995726 -0.013219 9C 5s 2.294492 -2.960593 -0.901433 -0.145822 1.628906 0.155569 9C 1pz 0.029668 0.037904 0.073184 0.093497 -0.070535 0.057004 9C 1px -0.024698 -0.018718 0.078329 0.093675 0.062251 -0.016850 9C 1py 0.048802 0.032994 0.066665 -0.006320 -0.074805 -0.070873 9C 2pz 0.980021 0.244048 0.674072 0.446587 -0.455630 -0.038923 9C 2px 0.006414 -0.027459 0.166545 0.183664 -0.328910 0.103595 9C 2py 0.585212 0.178038 0.274915 0.468129 -0.351971 0.100341 9C 3pz 0.015144 0.718241 0.279427 0.417558 -0.732921 -0.084968 9C 3px -0.217605 0.208068 0.508008 0.496111 -0.016023 -0.322479 9C 3py 0.117056 0.477411 0.590915 -0.013508 -0.213798 0.150699 9C 1dz2 0.000345 0.003494 0.013142 0.010089 0.004967 0.020328 9C 1dxz -0.006143 -0.002072 0.008726 0.008955 0.000547 0.008638 9C 1dyz 0.008867 0.006633 0.006097 0.005172 -0.016342 -0.011363 9C 1dx2y2 0.003769 0.002165 -0.000032 -0.003773 0.013841 0.011356 9C 1dxy 0.002699 0.002067 0.002438 0.003303 0.000034 0.003578 9C 2dz2 -0.319350 -0.064507 -0.069373 -0.395941 0.209353 -0.209361 9C 2dxz -0.374826 -0.150136 -0.011583 -0.113813 -0.323157 0.053287 9C 2dyz -0.533778 0.008709 -0.483818 -0.379015 0.407387 -0.012255 9C 2dx2y2 0.437540 0.083169 0.114156 -0.217608 -0.018361 -0.168710 9C 2dxy -0.171919 0.029195 -0.249191 -0.043945 -0.074638 0.215962 9C 1f0 -0.008375 -0.000903 -0.004523 0.014524 -0.010860 0.014311 9C 1f+1 0.001505 -0.003216 0.014780 0.008704 -0.005332 -0.005596 9C 1f-1 0.035099 0.009707 0.012043 0.003931 -0.006108 -0.003638 9C 1f+2 0.001874 0.001727 -0.011293 -0.005649 0.015936 -0.002767 9C 1f-2 0.005414 0.006695 -0.001673 -0.000331 0.008650 -0.001982 9C 1f+3 0.014664 0.003263 0.001116 0.011178 0.003377 0.004735 9C 1f-3 -0.006619 -0.006373 0.010589 0.012455 -0.012552 0.003316 10H 1s 0.057283 0.017446 0.011434 0.016250 -0.003802 0.010069 10H 2s -0.503492 -0.168482 -0.111375 -0.262239 0.418130 -0.203290 10H 3s -0.292739 0.219886 -0.166518 -0.045203 -0.160751 0.164647 10H 1pz -0.036056 -0.018565 -0.004216 -0.003021 0.044393 -0.014022 10H 1px 0.017965 -0.002765 -0.001897 0.001169 -0.034292 0.010703 10H 1py -0.010125 -0.005228 0.007920 -0.001506 0.014358 -0.021258 11H 1s 0.002291 -0.018235 -0.031566 -0.036868 -0.002490 -0.012718 11H 2s 0.100612 0.174764 0.354785 0.055909 -0.309294 -0.064467 11H 3s -0.220870 -0.008120 0.044417 0.319585 -0.039150 -0.106551 11H 1pz 0.008626 0.026807 0.022264 -0.008822 -0.026728 -0.023347 11H 1px -0.010662 -0.007421 -0.001461 -0.017606 -0.027121 -0.014262 11H 1py -0.001278 0.004928 -0.013554 -0.004056 0.011435 0.001965 12H 1s 0.018173 -0.005769 -0.007830 -0.021103 0.008694 0.005436 12H 2s 0.151075 0.006719 -0.132937 0.365556 -0.202660 0.326696 12H 3s -0.329737 0.079108 0.318954 -0.026313 0.108388 -0.063440 12H 1pz 0.003288 0.007761 -0.011078 0.003245 0.011006 0.014055 12H 1px -0.014114 -0.014846 -0.018313 -0.012755 -0.003441 0.018978 12H 1py 0.024445 0.009524 -0.016459 0.049694 -0.007301 0.056402 13H 1s -0.053761 0.021728 -0.009587 0.016458 -0.006043 -0.022791 13H 2s 0.463015 -0.170386 0.079304 -0.531622 -0.121702 0.505711 13H 3s 0.315386 0.164699 0.155882 0.112374 0.018295 -0.393615 13H 1pz 0.019248 0.000264 -0.018595 -0.031826 -0.033192 0.020054 13H 1px -0.016515 -0.000582 0.005554 0.023709 0.012027 -0.005314 13H 1py -0.029522 0.018714 0.004747 0.035879 -0.003813 -0.051771 14H 1s -0.025717 0.002525 0.018882 -0.005439 0.006476 0.013215 14H 2s -0.101918 -0.015594 -0.158097 0.175421 0.327619 -0.257907 14H 3s 0.417291 0.064630 -0.011322 0.052369 -0.303306 -0.035700 14H 1pz -0.024387 0.019908 -0.038107 0.016559 0.012225 -0.055582 14H 1px 0.003461 -0.006892 0.000075 0.005313 0.047357 -0.007655 14H 1py -0.000723 0.000114 -0.005764 0.008986 -0.018235 -0.001851 15H 1s -0.002177 -0.021445 0.044237 -0.030004 0.027717 0.048138 15H 2s -0.065026 0.163556 -0.115090 0.458699 -0.269433 -0.344930 15H 3s 0.177541 -0.040135 -0.376737 -0.016376 -0.072853 -0.052187 15H 1pz -0.003752 0.016848 -0.002726 -0.015050 -0.014352 -0.023750 15H 1px 0.010528 -0.005469 0.008909 -0.001927 0.003210 0.002341 15H 1py 0.004965 -0.020598 -0.005051 -0.026068 0.043671 0.044754 16H 1s -0.001449 -0.011163 0.015576 0.015618 0.003292 -0.005905 16H 2s -0.080365 0.007271 0.098294 -0.079096 -0.050349 -0.136426 16H 3s -0.137782 0.005342 -0.065438 -0.062138 0.054668 -0.038658 16H 1pz -0.012194 -0.029413 0.003847 -0.030375 -0.019104 -0.020367 16H 1px -0.025831 -0.007414 0.054044 0.006296 -0.008921 -0.024170 16H 1py -0.000352 0.077577 -0.029883 0.027307 0.042648 0.044706 17H 1s 0.002357 -0.010551 0.000851 -0.021259 -0.003320 0.005759 17H 2s -0.007399 -0.000196 0.093373 0.001483 -0.145227 -0.090899 17H 3s 0.125355 -0.005839 -0.049413 0.089366 -0.005243 0.013949 17H 1pz -0.004106 0.035341 -0.035301 0.017341 0.047253 0.028827 17H 1px 0.014385 0.024467 -0.007203 -0.048394 -0.022169 -0.012237 17H 1py 0.011339 0.074340 -0.038145 0.001274 0.028587 0.019880 18H 1s 0.001637 -0.010758 -0.000630 0.021454 0.002620 -0.004064 18H 2s -0.012839 0.001331 -0.095337 -0.001288 0.138690 0.098035 18H 3s 0.122354 -0.006661 0.046503 -0.089490 0.006034 -0.013617 18H 1pz 0.003508 -0.033762 -0.034016 0.017850 0.045620 0.031132 18H 1px -0.013317 -0.023575 -0.006892 -0.048721 -0.020304 -0.016005 18H 1py -0.011940 -0.075497 -0.038374 0.002165 0.029997 0.021351 19H 1s -0.002010 -0.011095 -0.015891 -0.015328 -0.003216 0.007113 19H 2s -0.085060 0.007287 -0.097899 0.080051 0.044980 0.144839 19H 3s -0.139261 0.005944 0.067749 0.059862 -0.056014 0.039425 19H 1pz 0.012237 0.031241 0.003997 -0.030968 -0.019724 -0.022152 19H 1px 0.026557 0.008206 0.054175 0.005033 -0.009028 -0.027093 19H 1py 0.000359 -0.076358 -0.028776 0.026802 0.041308 0.046387 20H 1s -0.002635 -0.021382 -0.044020 0.029655 -0.027353 -0.049482 20H 2s -0.061783 0.164647 0.114431 -0.457154 0.265229 0.362087 20H 3s 0.180244 -0.039095 0.373897 0.020021 0.076715 0.052502 20H 1pz 0.003827 -0.016669 -0.002864 -0.015147 -0.013875 -0.023793 20H 1px -0.010721 0.005763 0.009353 -0.001892 0.003512 0.003111 20H 1py -0.004937 0.020846 -0.004894 -0.026295 0.043092 0.046706 21H 1s -0.025629 0.002098 -0.019013 0.005618 -0.007146 -0.013151 21H 2s -0.098195 -0.011257 0.167037 -0.177049 -0.321601 0.259588 21H 3s 0.410196 0.062831 0.007348 -0.055284 0.304147 0.033065 21H 1pz 0.023869 -0.020143 -0.039027 0.016417 0.012566 -0.057208 21H 1px -0.003905 0.007103 0.000007 0.005353 0.046976 -0.006055 21H 1py 0.000551 -0.000047 -0.005609 0.008995 -0.017763 -0.002193 22H 1s -0.053712 0.022026 0.010774 -0.016504 0.005800 0.025576 22H 2s 0.455959 -0.175263 -0.090075 0.531599 0.122458 -0.523441 22H 3s 0.315257 0.167258 -0.159992 -0.110200 -0.018392 0.383182 22H 1pz -0.018931 0.000059 -0.017686 -0.031613 -0.032900 0.020340 22H 1px 0.015986 0.000629 0.005593 0.023682 0.012158 -0.004827 22H 1py 0.029204 -0.018826 0.004333 0.035809 -0.003118 -0.053789 23H 1s 0.017644 -0.006492 0.008335 0.022021 -0.008589 -0.005200 23H 2s 0.160001 0.019693 0.124346 -0.376074 0.198581 -0.321586 23H 3s -0.334135 0.069627 -0.319451 0.023512 -0.106916 0.051468 23H 1pz -0.003810 -0.008432 -0.010713 0.003545 0.011340 0.013954 23H 1px 0.013836 0.014460 -0.017908 -0.012707 -0.003274 0.020255 23H 1py -0.025257 -0.010551 -0.015906 0.049827 -0.006763 0.055258 24H 1s 0.003012 -0.017851 0.031106 0.035841 0.002491 0.011298 24H 2s 0.097785 0.174860 -0.347782 -0.048560 0.313469 0.075957 24H 3s -0.229027 -0.010294 -0.042782 -0.320740 0.029480 0.103209 24H 1pz -0.008499 -0.027397 0.022471 -0.009419 -0.027531 -0.024951 24H 1px 0.010870 0.007155 -0.001764 -0.017950 -0.027564 -0.013931 24H 1py 0.001585 -0.004399 -0.013545 -0.004623 0.011002 0.001701 25H 1s 0.057547 0.017700 -0.011875 -0.015882 0.004322 -0.006885 25H 2s -0.513668 -0.182526 0.113124 0.265969 -0.419553 0.181958 25H 3s -0.287440 0.225965 0.172484 0.038731 0.157375 -0.179339 25H 1pz 0.036423 0.019469 -0.003873 -0.003124 0.044550 -0.012375 25H 1px -0.018461 0.001967 -0.002050 0.001880 -0.033733 0.011455 25H 1py 0.010988 0.006185 0.007672 -0.002625 0.013682 -0.020892 26O 1s -0.014772 0.001946 -0.006130 -0.003759 0.002730 0.002530 26O 2s -0.029947 0.000205 -0.014278 -0.009429 0.003120 0.007399 26O 3s -0.078712 0.083903 -0.002189 0.010539 0.072486 -0.038034 26O 4s 1.240459 -0.686692 0.249764 0.095988 -0.641849 0.171028 26O 5s -3.904882 2.934414 0.400609 0.753622 1.677853 -0.423853 26O 1pz 0.008749 0.023920 0.022976 0.019566 -0.002382 -0.035374 26O 1px 0.046859 0.004033 -0.012829 -0.024707 0.024196 -0.023856 26O 1py 0.020240 0.017002 0.020806 -0.000453 0.027837 -0.017056 26O 2pz 0.050609 -0.093208 0.052319 -0.015361 -0.093147 -0.057112 26O 2px 0.002615 -0.096272 -0.087917 -0.103815 0.077479 -0.090587 26O 2py 0.051152 -0.101459 -0.009953 -0.008184 0.026329 -0.026434 26O 3pz -0.771956 0.978234 -0.387438 0.033543 0.460068 0.116435 26O 3px 0.842090 -0.628540 -0.176579 -0.142712 -0.208774 0.121299 26O 3py -0.236429 0.396405 -0.119142 -0.269225 0.118418 0.120721 26O 1dz2 -0.000439 -0.000918 -0.002424 -0.000500 -0.003821 0.005461 26O 1dxz -0.003894 -0.002475 -0.000710 -0.000125 -0.007528 0.003106 26O 1dyz 0.001086 -0.006590 -0.004588 -0.003649 -0.009562 0.005157 26O 1dx2y2 0.004972 -0.001944 0.000460 -0.001080 0.003061 -0.003814 26O 1dxy 0.002126 -0.005374 -0.000824 -0.000718 -0.001908 0.004003 26O 2dz2 0.021740 -0.013768 -0.031072 -0.041278 -0.025098 0.004879 26O 2dxz -0.026882 -0.019278 0.035278 0.021460 -0.056988 -0.024457 26O 2dyz 0.051235 -0.033598 -0.030463 -0.035471 -0.054493 0.039431 26O 2dx2y2 -0.002963 0.016271 -0.003106 -0.016303 -0.008967 -0.025751 26O 2dxy -0.014625 -0.008036 0.025272 0.009819 -0.014386 0.027587 26O 1f0 0.002433 -0.000029 0.002412 -0.000072 0.000694 -0.002985 26O 1f+1 -0.000532 -0.001146 0.003115 0.000677 -0.002134 -0.002919 26O 1f-1 0.002612 0.003180 0.002604 0.001418 0.000809 -0.001291 26O 1f+2 -0.003626 0.000825 -0.003373 -0.003200 -0.001416 0.001423 26O 1f-2 -0.000631 -0.000903 0.001256 -0.000157 -0.002247 0.000933 26O 1f+3 -0.002126 0.001258 -0.000327 -0.001266 -0.001065 -0.001213 26O 1f-3 -0.000005 0.000443 0.003278 0.001394 0.002558 0.000378 27O 1s 0.015361 0.001418 0.003644 -0.007138 -0.001636 -0.006556 27O 2s 0.031134 -0.000791 0.009731 -0.014938 -0.000383 -0.013962 27O 3s 0.082989 0.077404 -0.024518 -0.039937 -0.072810 -0.009957 27O 4s -1.304081 -0.619719 0.006078 0.606682 0.601196 0.287871 27O 5s 4.042848 2.882556 -0.850206 -0.749183 -2.290011 -2.142733 27O 1pz -0.003435 0.012125 -0.008173 0.016315 -0.012885 0.028543 27O 1px -0.040461 0.001200 0.014135 -0.016259 -0.002790 0.074436 27O 1py 0.014662 -0.025782 0.016489 -0.018337 0.011503 -0.044488 27O 2pz -0.051736 -0.054996 -0.041483 0.047224 0.059559 0.135687 27O 2px -0.017577 -0.158817 0.062109 -0.104509 0.018556 0.263626 27O 2py 0.057074 0.125843 -0.019558 -0.073142 -0.067264 -0.227689 27O 3pz 0.718939 0.711975 0.206030 -0.199365 -0.399395 -0.627439 27O 3px -0.606507 -0.432663 0.121523 -0.152572 0.172976 0.385106 27O 3py -0.792779 -0.900367 0.078040 0.578014 0.440615 0.648923 27O 1dz2 0.002849 0.003890 -0.000846 -0.000517 -0.003684 -0.001852 27O 1dxz 0.002593 -0.001813 0.000188 0.002866 0.004967 -0.002048 27O 1dyz 0.003482 0.005750 -0.005151 -0.000929 -0.007343 0.004116 27O 1dx2y2 -0.003189 -0.000950 -0.002285 -0.002624 -0.004436 0.008409 27O 1dxy -0.002014 0.006032 -0.002205 -0.004291 -0.007270 0.001406 27O 2dz2 0.011004 0.007554 -0.028854 -0.008012 -0.017197 -0.024842 27O 2dxz 0.001080 -0.016795 -0.017544 0.031545 0.016291 0.007203 27O 2dyz 0.036582 0.025165 -0.038833 0.007152 -0.063376 -0.043614 27O 2dx2y2 0.019531 0.037423 -0.022967 0.005101 -0.007058 -0.000486 27O 2dxy -0.006103 0.023819 -0.005815 -0.038970 -0.025333 -0.017222 27O 1f0 -0.000357 -0.002868 -0.000465 0.000110 0.000666 -0.002487 27O 1f+1 0.000134 0.000694 -0.001056 0.000642 0.000001 0.003497 27O 1f-1 0.001084 -0.001344 0.002069 0.001468 0.000079 -0.000792 27O 1f+2 0.003545 -0.001764 0.002556 -0.001111 0.001926 -0.001098 27O 1f-2 0.001999 0.001374 0.002496 -0.002545 -0.000121 -0.005484 27O 1f+3 0.000813 0.001055 -0.000940 0.002022 0.000530 0.006655 27O 1f-3 0.002657 -0.000490 0.002334 -0.000059 0.004349 -0.003451 28O 1s -0.015675 0.002545 -0.006205 -0.003867 0.006728 -0.001768 28O 2s -0.033696 0.001118 -0.013551 -0.009587 0.015770 -0.005408 28O 3s -0.047568 0.090838 -0.025333 0.006657 -0.014709 0.031073 28O 4s 1.146793 -0.733233 0.493977 0.185273 -0.139189 -0.178139 28O 5s -3.953420 3.065404 -0.435989 0.371656 0.719563 0.600232 28O 1pz 0.020201 0.017979 -0.011525 -0.022781 -0.063551 0.024372 28O 1px -0.030150 0.013836 0.027067 0.028240 0.010477 -0.008337 28O 1py 0.008730 0.012159 0.008875 0.000443 -0.022413 0.032555 28O 2pz -0.003989 -0.169454 -0.030405 -0.110331 -0.198120 0.016514 28O 2px -0.022143 0.072312 0.143833 0.100127 0.029271 -0.037565 28O 2py 0.015627 -0.088684 0.006713 0.032113 -0.064435 0.065456 28O 3pz -0.056293 0.552327 -0.457166 0.098150 0.153984 0.078322 28O 3px -0.926059 0.867756 -0.162661 -0.003732 0.492126 -0.023124 28O 3py -0.441805 0.708032 -0.106761 -0.199979 0.205333 0.033743 28O 1dz2 -0.002766 -0.004151 0.003822 0.000688 0.004316 -0.006198 28O 1dxz -0.002150 0.003469 0.000255 0.000768 0.006637 -0.000144 28O 1dyz 0.001473 -0.006776 0.002659 0.000782 0.008574 -0.005626 28O 1dx2y2 0.005053 -0.001378 -0.002531 -0.001234 -0.003254 0.005076 28O 1dxy 0.002303 -0.000500 -0.001771 -0.002817 0.000868 -0.003012 28O 2dz2 -0.014378 -0.038070 0.004315 -0.024548 -0.031964 -0.032146 28O 2dxz 0.013207 -0.018586 -0.008407 0.003598 0.003606 -0.015187 28O 2dyz -0.011711 -0.050872 0.002602 -0.010251 0.010698 0.004796 28O 2dx2y2 0.011599 0.019317 -0.000699 -0.015523 0.008977 0.005906 28O 2dxy -0.011207 0.002286 -0.018895 -0.016989 -0.003025 -0.045489 28O 1f0 -0.001918 0.000011 0.001437 -0.002211 -0.003383 -0.001202 28O 1f+1 0.001747 -0.000932 -0.000485 -0.001637 -0.004703 0.001411 28O 1f-1 0.000448 0.000571 0.001267 0.000317 -0.004657 0.002130 28O 1f+2 0.000989 -0.000973 0.000828 0.000103 0.004437 -0.004464 28O 1f-2 0.000634 0.001767 -0.000280 -0.000431 -0.001429 0.002151 28O 1f+3 0.001606 -0.000452 -0.000769 0.001290 -0.001259 -0.001230 28O 1f-3 0.001480 -0.002427 0.000785 0.000947 -0.002308 0.003714 29O 1s 0.000818 0.006931 0.000014 -0.002388 0.001014 0.001406 29O 2s 0.001974 0.018057 0.000613 -0.005798 0.002049 0.002985 29O 3s -0.003192 -0.043555 -0.012037 0.006341 0.005187 0.004821 29O 4s -0.030986 -0.061783 0.068377 0.084374 -0.084766 -0.106332 29O 5s 0.119313 0.077590 -0.180608 -0.238350 0.265397 0.334680 29O 1pz 0.012677 -0.022822 0.007453 -0.005705 -0.000161 0.004488 29O 1px 0.008299 0.070266 -0.012926 -0.004946 0.013710 0.011863 29O 1py 0.003618 -0.008881 -0.015763 -0.003892 -0.009469 -0.015457 29O 2pz 0.017129 -0.017144 -0.011317 -0.033228 -0.012344 0.004125 29O 2px 0.020015 0.053127 -0.022334 -0.023021 0.015729 0.019718 29O 2py -0.004082 0.007269 -0.014477 0.006327 0.001721 0.000997 29O 3pz -0.169986 0.026926 0.062063 0.014760 0.073901 -0.098365 29O 3px -0.068870 -0.089686 0.017343 0.149595 0.000548 -0.039342 29O 3py -0.030308 -0.079354 0.220731 -0.052247 -0.136277 -0.122606 29O 1dz2 -0.000811 -0.000987 -0.000520 0.001065 0.001762 -0.000058 29O 1dxz 0.000803 -0.002907 -0.000893 0.000339 -0.000457 0.000687 29O 1dyz 0.000007 -0.000983 0.000685 -0.000469 0.000293 -0.001786 29O 1dx2y2 0.000899 0.006368 -0.001141 -0.000331 0.000549 0.000567 29O 1dxy 0.000531 0.002021 -0.000850 0.000280 0.001449 0.000629 29O 2dz2 0.007190 0.040877 -0.023779 0.071706 0.028530 0.048942 29O 2dxz 0.011463 -0.012316 -0.048557 -0.054639 0.032938 0.009931 29O 2dyz -0.017062 -0.027273 0.023641 -0.020644 -0.037825 -0.015148 29O 2dx2y2 0.002168 0.138618 -0.017746 -0.038615 0.033567 0.037049 29O 2dxy 0.006022 0.030338 -0.073804 0.019914 0.015413 0.008316 29O 1f0 -0.000363 0.002202 -0.001237 -0.000517 0.000030 0.001053 29O 1f+1 0.000154 -0.001289 0.000082 -0.001728 0.000243 -0.000277 29O 1f-1 -0.000450 -0.000167 -0.001727 -0.001772 -0.000298 0.000339 29O 1f+2 -0.000336 -0.002258 0.001563 0.001466 -0.000919 -0.000024 29O 1f-2 0.000159 0.000099 0.000183 0.003152 0.000311 -0.001670 29O 1f+3 0.000047 -0.001404 0.001256 -0.001495 -0.000034 0.000375 29O 1f-3 -0.000093 0.000162 -0.001570 -0.001687 -0.000795 -0.000018 30O 1s 0.015761 0.001272 0.004060 -0.007747 -0.005907 -0.002432 30O 2s 0.033065 -0.001387 0.009703 -0.017196 -0.013281 -0.001263 30O 3s 0.063420 0.082009 0.003483 -0.017130 0.003510 -0.088279 30O 4s -1.251022 -0.625200 -0.261742 0.426726 0.172310 0.699377 30O 5s 4.358793 2.866144 -0.452187 -0.418080 -1.218868 -3.089813 30O 1pz -0.025364 0.007660 0.019346 0.017379 0.054274 0.005272 30O 1px 0.035292 0.010381 -0.042699 0.020650 -0.020569 -0.007158 30O 1py 0.007632 -0.020088 -0.020921 -0.010397 -0.058508 -0.005768 30O 2pz -0.045263 -0.129944 0.047580 -0.009612 0.187969 0.121277 30O 2px 0.014708 0.046951 -0.154496 0.109707 -0.060965 0.022864 30O 2py -0.009693 0.169171 -0.101421 -0.022665 -0.183958 -0.171903 30O 3pz 0.009537 0.298944 0.319821 0.033921 -0.252465 -0.289083 30O 3px 1.216331 0.997706 0.007993 -0.369172 -0.432476 -0.746377 30O 3py -0.092344 -0.679299 -0.044740 0.321228 0.377932 0.499566 30O 1dz2 0.003738 0.001619 -0.002031 0.001689 0.000929 -0.000893 30O 1dxz 0.003784 0.001536 -0.001273 -0.002877 -0.005811 0.001240 30O 1dyz 0.002427 0.008495 0.001372 0.002885 0.003981 -0.010792 30O 1dx2y2 -0.005564 0.003062 0.004447 0.001560 0.006412 -0.007238 30O 1dxy -0.000230 -0.000618 0.001698 0.003299 0.003485 -0.001910 30O 2dz2 0.005098 0.003673 -0.032400 0.019219 0.014720 -0.019063 30O 2dxz -0.011450 -0.023755 -0.000499 -0.025256 -0.018209 0.006330 30O 2dyz -0.001546 0.035446 -0.010679 -0.010666 -0.014301 -0.097989 30O 2dx2y2 -0.014923 0.045779 0.001661 -0.011374 -0.017745 -0.054132 30O 2dxy 0.015983 0.020989 -0.019175 0.023509 0.007618 -0.017492 30O 1f0 0.000786 -0.000658 0.000764 0.000045 0.000670 0.000849 30O 1f+1 -0.001389 -0.001653 -0.000620 0.002022 0.003362 -0.000440 30O 1f-1 0.000226 0.000709 0.001640 -0.000031 -0.002555 -0.001999 30O 1f+2 -0.001769 -0.001303 -0.000103 -0.002755 -0.003041 -0.003143 30O 1f-2 0.000241 -0.002628 -0.001286 -0.002768 -0.005202 0.001088 30O 1f+3 -0.003681 -0.000340 0.000989 0.003681 0.003274 -0.001228 30O 1f-3 -0.001123 0.001220 -0.000551 -0.003227 -0.003411 -0.003758 31O 1s 0.015612 0.001275 -0.004181 0.007783 0.005966 0.002133 31O 2s 0.032728 -0.001406 -0.009924 0.017264 0.013413 0.000687 31O 3s 0.063218 0.082520 -0.004789 0.017424 -0.003122 0.085536 31O 4s -1.243134 -0.626900 0.275854 -0.429859 -0.174695 -0.664801 31O 5s 4.348212 2.865845 0.423112 0.426253 1.175737 3.048824 31O 1pz 0.024907 -0.007541 0.019468 0.017396 0.054298 0.007261 31O 1px -0.035502 -0.010165 -0.042495 0.020610 -0.020150 -0.008236 31O 1py -0.007526 0.019974 -0.021594 -0.010676 -0.059068 -0.008045 31O 2pz 0.044685 0.130168 0.049099 -0.009853 0.184505 0.128171 31O 2px -0.016223 -0.046653 -0.156462 0.109885 -0.057740 0.016555 31O 2py 0.008815 -0.169262 -0.104332 -0.023058 -0.180065 -0.179417 31O 3pz -0.001401 -0.302275 0.315237 0.034475 -0.259207 -0.286993 31O 3px -1.208906 -0.992590 0.018841 -0.370002 -0.413611 -0.727247 31O 3py 0.089925 0.682693 -0.037841 0.321125 0.379012 0.492720 31O 1dz2 0.003748 0.001610 0.002005 -0.001666 -0.000919 0.000830 31O 1dxz 0.003755 0.001525 0.001232 0.002877 0.005757 -0.001168 31O 1dyz 0.002464 0.008465 -0.001359 -0.002884 -0.004143 0.010871 31O 1dx2y2 -0.005486 0.003060 -0.004359 -0.001573 -0.006483 0.007346 31O 1dxy -0.000207 -0.000595 -0.001698 -0.003316 -0.003462 0.001783 31O 2dz2 0.005590 0.003617 0.032067 -0.019047 -0.015006 0.018973 31O 2dxz -0.011582 -0.022981 0.000114 0.025546 0.019546 -0.006945 31O 2dyz -0.001161 0.036013 0.010159 0.010908 0.014606 0.098172 31O 2dx2y2 -0.014937 0.046002 -0.001353 0.011267 0.017101 0.054488 31O 2dxy 0.016659 0.020001 0.019266 -0.023760 -0.009648 0.017504 31O 1f0 -0.000811 0.000691 0.000759 0.000058 0.000719 0.000936 31O 1f+1 0.001367 0.001666 -0.000637 0.002021 0.003370 -0.000458 31O 1f-1 -0.000205 -0.000710 0.001658 -0.000026 -0.002529 -0.002015 31O 1f+2 0.001752 0.001267 -0.000100 -0.002766 -0.003100 -0.003221 31O 1f-2 -0.000222 0.002560 -0.001229 -0.002798 -0.005336 0.000983 31O 1f+3 0.003651 0.000359 0.000923 0.003692 0.003307 -0.001274 31O 1f-3 0.001166 -0.001273 -0.000536 -0.003246 -0.003472 -0.003852 32O 1s 0.000760 0.006800 -0.000044 0.002409 -0.001037 -0.001520 32O 2s 0.001806 0.017758 -0.000712 0.005851 -0.002162 -0.003265 32O 3s -0.002413 -0.043573 0.012713 -0.006460 -0.003917 -0.004416 32O 4s -0.032484 -0.055137 -0.070813 -0.085163 0.078327 0.107885 32O 5s 0.121016 0.059176 0.186799 0.241913 -0.247567 -0.331475 32O 1pz -0.012786 0.022212 0.007372 -0.005740 -0.000274 0.003594 32O 1px -0.008034 -0.070004 -0.012388 -0.004568 0.014049 0.014227 32O 1py -0.004113 0.008817 -0.015631 -0.003640 -0.009402 -0.015617 32O 2pz -0.017207 0.017360 -0.011564 -0.033620 -0.011646 0.002979 32O 2px -0.019530 -0.052058 -0.021987 -0.022735 0.015812 0.021438 32O 2py 0.002334 -0.007414 -0.015083 0.005799 0.000710 0.003190 32O 3pz 0.171682 -0.026576 0.056537 0.015543 0.075337 -0.098502 32O 3px 0.059523 0.082170 0.016134 0.151692 -0.000385 -0.026088 32O 3py 0.044327 0.078217 0.223068 -0.053553 -0.125652 -0.137534 32O 1dz2 -0.000774 -0.000959 0.000547 -0.001096 -0.001738 0.000058 32O 1dxz 0.000805 -0.002890 0.000882 -0.000333 0.000497 -0.000544 32O 1dyz -0.000013 -0.000894 -0.000619 0.000445 -0.000381 0.001843 32O 1dx2y2 0.000898 0.006356 0.001066 0.000284 -0.000613 -0.000783 32O 1dxy 0.000610 0.002073 0.000876 -0.000305 -0.001411 -0.000837 32O 2dz2 0.007842 0.041946 0.023726 -0.072248 -0.027993 -0.054240 32O 2dxz 0.011845 -0.012102 0.048323 0.054284 -0.032709 -0.010250 32O 2dyz -0.016666 -0.021821 -0.020966 0.019077 0.034258 0.013986 32O 2dx2y2 0.001747 0.138074 0.017059 0.038462 -0.034718 -0.036816 32O 2dxy 0.006885 0.032389 0.074653 -0.020057 -0.015954 -0.011147 32O 1f0 0.000258 -0.002193 -0.001169 -0.000425 -0.000014 0.001201 32O 1f+1 -0.000120 0.001339 0.000088 -0.001815 0.000276 -0.000385 32O 1f-1 0.000406 0.000147 -0.001778 -0.001679 -0.000313 0.000465 32O 1f+2 0.000380 0.002234 0.001603 0.001417 -0.000929 -0.000138 32O 1f-2 -0.000214 -0.000068 0.000242 0.003195 0.000224 -0.001609 32O 1f+3 -0.000003 0.001434 0.001253 -0.001413 -0.000018 0.000193 32O 1f-3 0.000107 -0.000181 -0.001617 -0.001739 -0.000751 -0.000117 33O 1s -0.015604 0.002534 0.006307 0.003799 -0.006760 0.001612 33O 2s -0.033547 0.001087 0.013780 0.009448 -0.015810 0.005136 33O 3s -0.047152 0.091061 0.025515 -0.007176 0.013815 -0.033447 33O 4s 1.141088 -0.734920 -0.499035 -0.179235 0.146120 0.201961 33O 5s -3.963617 3.059279 0.442506 -0.365265 -0.714939 -0.583044 33O 1pz -0.020040 -0.017816 -0.011307 -0.022592 -0.063088 0.027822 33O 1px 0.030394 -0.013492 0.027077 0.028194 0.010208 -0.009327 33O 1py -0.008506 -0.011986 0.009031 0.000729 -0.022234 0.034488 33O 2pz 0.004622 0.170015 -0.031421 -0.107734 -0.195476 0.030721 33O 2px 0.024379 -0.071516 0.145143 0.097866 0.026714 -0.046081 33O 2py -0.015434 0.089494 0.006762 0.033183 -0.063103 0.070294 33O 3pz 0.034948 -0.565011 -0.453163 0.098763 0.156142 0.059809 33O 3px 0.934121 -0.859775 -0.161249 -0.005595 0.492588 -0.016094 33O 3py 0.437588 -0.712831 -0.107149 -0.202902 0.201434 0.035590 33O 1dz2 -0.002830 -0.004253 -0.003765 -0.000745 -0.004330 0.005991 33O 1dxz -0.002203 0.003385 -0.000249 -0.000723 -0.006614 0.000261 33O 1dyz 0.001434 -0.006892 -0.002596 -0.000823 -0.008583 0.005432 33O 1dx2y2 0.005127 -0.001302 0.002509 0.001260 0.003299 -0.004989 33O 1dxy 0.002304 -0.000508 0.001747 0.002839 -0.000858 0.003209 33O 2dz2 -0.014699 -0.037992 -0.004232 0.024052 0.032570 0.031217 33O 2dxz 0.013273 -0.018792 0.008981 -0.004194 -0.004473 0.014158 33O 2dyz -0.011444 -0.051259 -0.002384 0.010700 -0.010910 -0.004509 33O 2dx2y2 0.011255 0.019877 -0.000123 0.015750 -0.008351 -0.005737 33O 2dxy -0.011464 0.002133 0.018898 0.016826 0.002721 0.045945 33O 1f0 0.001964 -0.000004 0.001432 -0.002237 -0.003433 -0.001100 33O 1f+1 -0.001752 0.000870 -0.000443 -0.001678 -0.004744 0.001303 33O 1f-1 -0.000442 -0.000577 0.001315 0.000288 -0.004652 0.002050 33O 1f+2 -0.000987 0.001011 0.000744 0.000140 0.004473 -0.004526 33O 1f-2 -0.000606 -0.001783 -0.000262 -0.000501 -0.001471 0.002066 33O 1f+3 -0.001611 0.000442 -0.000794 0.001283 -0.001252 -0.001348 33O 1f-3 -0.001481 0.002409 0.000770 0.000917 -0.002345 0.003642 34O 1s 0.015209 0.001395 -0.003775 0.007150 0.001563 0.006541 34O 2s 0.030823 -0.000827 -0.009977 0.014956 0.000220 0.013995 34O 3s 0.082061 0.077076 0.023234 0.040193 0.072925 0.008460 34O 4s -1.291034 -0.617811 0.008085 -0.608233 -0.595271 -0.275481 34O 5s 4.020187 2.888520 0.823229 0.750761 2.232235 2.129729 34O 1pz 0.003465 -0.012163 -0.008029 0.016684 -0.012839 0.029821 34O 1px 0.040399 -0.000720 0.014063 -0.016083 -0.003081 0.075944 34O 1py -0.014326 0.025802 0.016492 -0.018440 0.011775 -0.047059 34O 2pz 0.050807 0.055307 -0.041405 0.047567 0.058494 0.138266 34O 2px 0.018273 0.159897 0.064243 -0.104866 0.012682 0.268988 34O 2py -0.056264 -0.126358 -0.020520 -0.073041 -0.063801 -0.233943 34O 3pz -0.708673 -0.713871 0.211712 -0.198478 -0.384896 -0.625216 34O 3px 0.619507 0.439856 0.118224 -0.152590 0.170749 0.356575 34O 3py 0.783046 0.900730 0.072633 0.578032 0.423204 0.654631 34O 1dz2 0.002855 0.003932 0.000829 0.000526 0.003637 0.001860 34O 1dxz 0.002626 -0.001829 -0.000250 -0.002865 -0.004914 0.001907 34O 1dyz 0.003458 0.005784 0.005140 0.000923 0.007234 -0.004108 34O 1dx2y2 -0.003250 -0.000985 0.002319 0.002593 0.004391 -0.008336 34O 1dxy -0.002092 0.006069 0.002267 0.004273 0.007107 -0.001178 34O 2dz2 0.011253 0.007309 0.028645 0.008602 0.017898 0.026055 34O 2dxz 0.001193 -0.016704 0.017604 -0.031407 -0.016131 -0.007327 34O 2dyz 0.037183 0.025842 0.038805 -0.007373 0.063409 0.042439 34O 2dx2y2 0.020090 0.038143 0.023540 -0.005606 0.005823 -0.001892 34O 2dxy -0.006290 0.023109 0.005377 0.039355 0.025599 0.017596 34O 1f0 0.000346 0.002876 -0.000474 0.000092 0.000620 -0.002572 34O 1f+1 -0.000137 -0.000706 -0.001095 0.000681 0.000070 0.003645 34O 1f-1 -0.001082 0.001353 0.002090 0.001454 0.000038 -0.000771 34O 1f+2 -0.003567 0.001778 0.002602 -0.001108 0.001872 -0.000893 34O 1f-2 -0.001988 -0.001364 0.002525 -0.002560 -0.000140 -0.005417 34O 1f+3 -0.000824 -0.001077 -0.000967 0.002065 0.000635 0.006861 34O 1f-3 -0.002655 0.000522 0.002419 -0.000102 0.004267 -0.003373 35O 1s -0.014737 0.001894 0.006209 0.003761 -0.002682 -0.002666 35O 2s -0.029843 0.000106 0.014466 0.009439 -0.002967 -0.007626 35O 3s -0.079064 0.083478 0.002079 -0.010803 -0.073523 0.035793 35O 4s 1.241603 -0.679848 -0.252166 -0.094788 0.644926 -0.150199 35O 5s -3.923407 2.912634 -0.397116 -0.738661 -1.666047 0.453782 35O 1pz -0.008756 -0.024377 0.023371 0.019869 -0.001682 -0.033751 35O 1px -0.047088 -0.004159 -0.012365 -0.024249 0.024390 -0.021824 35O 1py -0.020848 -0.017105 0.021189 0.000135 0.028044 -0.015260 35O 2pz -0.051015 0.091408 0.052153 -0.013475 -0.091128 -0.051313 35O 2px -0.004010 0.095220 -0.088201 -0.100834 0.080259 -0.079629 35O 2py -0.053631 0.100611 -0.010346 -0.005952 0.027453 -0.018329 35O 3pz 0.771441 -0.969532 -0.385634 0.029037 0.453005 0.122510 35O 3px -0.846306 0.633218 -0.177794 -0.143903 -0.213592 0.117997 35O 3py 0.241537 -0.389790 -0.117355 -0.273026 0.119626 0.114339 35O 1dz2 -0.000418 -0.000835 0.002434 0.000481 0.003785 -0.005423 35O 1dxz -0.003858 -0.002376 0.000776 0.000042 0.007464 -0.003432 35O 1dyz 0.001187 -0.006439 0.004654 0.003593 0.009557 -0.005333 35O 1dx2y2 0.004922 -0.001982 -0.000495 0.001089 -0.003035 0.003847 35O 1dxy 0.002202 -0.005344 0.000854 0.000672 0.001882 -0.004146 35O 2dz2 0.021924 -0.013081 0.031358 0.040533 0.024599 -0.004251 35O 2dxz -0.027750 -0.018936 -0.035105 -0.021717 0.057048 0.024479 35O 2dyz 0.051915 -0.033259 0.030769 0.035280 0.055007 -0.039410 35O 2dx2y2 -0.003526 0.015751 0.002416 0.016661 0.009252 0.026195 35O 2dxy -0.014552 -0.008499 -0.025382 -0.009685 0.014997 -0.027086 35O 1f0 -0.002403 0.000060 0.002434 -0.000095 0.000646 -0.003114 35O 1f+1 0.000584 0.001182 0.003141 0.000663 -0.002153 -0.002872 35O 1f-1 -0.002589 -0.003133 0.002670 0.001373 0.000775 -0.001393 35O 1f+2 0.003619 -0.000863 -0.003406 -0.003172 -0.001328 0.001576 35O 1f-2 0.000640 0.000882 0.001240 -0.000137 -0.002220 0.001000 35O 1f+3 0.002098 -0.001251 -0.000314 -0.001244 -0.001072 -0.001042 35O 1f-3 0.000037 -0.000359 0.003330 0.001359 0.002489 0.000423 294 295 296 297 298 299 1.25198 1.25897 1.29020 1.29766 1.31587 1.32683 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s 0.000011 -0.003126 -0.000065 0.000554 -0.000114 -0.000168 0Rh 2s 0.000256 0.011447 0.000472 -0.001109 -0.001385 0.000511 0Rh 3s 0.000223 -0.011265 -0.000089 0.002560 -0.001526 -0.000668 0Rh 4s -0.001322 -0.053528 -0.002287 0.004828 0.007008 -0.002358 0Rh 5s 0.004043 0.043069 0.003725 0.004868 -0.021472 0.001083 0Rh 6s -0.008170 0.138818 -0.002479 -0.049307 0.048325 0.009820 0Rh 7s 0.073182 -0.065086 0.038768 0.352172 0.133556 -0.080707 0Rh 8s 0.293403 -0.508545 -0.024306 0.027142 -0.274817 -0.033322 0Rh 1pz 0.017628 -0.006464 0.003387 0.005980 0.000035 0.009862 0Rh 1px 0.006329 0.018882 0.001772 -0.017721 -0.002594 0.007821 0Rh 1py 0.003367 0.003858 -0.001016 -0.021193 -0.007042 0.001880 0Rh 2pz -0.058110 0.021413 -0.011387 -0.020285 -0.000162 -0.033232 0Rh 2px -0.021059 -0.062618 -0.005880 0.059874 0.008699 -0.026402 0Rh 2py -0.010609 -0.012894 0.003421 0.070979 0.023596 -0.006396 0Rh 3pz -0.019590 0.004826 0.000430 0.005450 0.001101 0.001475 0Rh 3px -0.002534 -0.012514 -0.001376 -0.012063 -0.001101 0.003423 0Rh 3py -0.014012 -0.000633 -0.000187 0.002161 0.000813 0.001990 0Rh 4pz 0.406404 -0.140223 0.066151 0.091222 -0.005191 0.196664 0Rh 4px 0.125921 0.401510 0.040108 -0.279512 -0.035923 0.138786 0Rh 4py 0.115638 0.076084 -0.019839 -0.418705 -0.141904 0.028078 0Rh 5pz -0.623076 0.232952 -0.136487 -0.124791 0.025217 -0.378283 0Rh 5px -0.166070 -0.646329 -0.075926 0.359140 -0.021030 -0.224052 0Rh 5py -0.185455 -0.132107 0.036775 0.688630 0.266969 -0.038793 0Rh 6pz 0.304732 -0.551923 1.580454 0.193970 -0.131016 2.416784 0Rh 6px -0.534189 1.253622 0.573920 -0.178710 1.137319 0.873315 0Rh 6py 0.063843 0.669545 -0.176171 -2.260895 -2.476524 -0.031181 0Rh 1dz2 -0.011150 -0.014857 0.010757 0.003915 -0.015497 -0.021979 0Rh 1dxz -0.006417 -0.019711 0.012365 -0.001521 -0.021951 0.020920 0Rh 1dyz -0.021875 -0.002881 0.050293 0.007615 -0.002491 -0.019541 0Rh 1dx2y2 0.006473 0.028164 0.011413 0.010402 0.041243 0.004741 0Rh 1dxy -0.020759 0.016202 0.017425 -0.020992 -0.020681 -0.004207 0Rh 2dz2 0.001197 0.002189 -0.004052 -0.000291 0.003126 0.003607 0Rh 2dxz 0.003446 0.002268 -0.000736 0.000254 0.004147 -0.003341 0Rh 2dyz 0.004130 0.000310 -0.011969 -0.001394 0.001387 0.003054 0Rh 2dx2y2 -0.001259 -0.004042 -0.001844 -0.001509 -0.006098 -0.000881 0Rh 2dxy 0.004906 -0.002054 -0.004462 0.004024 0.001986 0.000153 0Rh 3dz2 0.019355 0.023188 -0.006161 -0.007487 0.021028 0.033534 0Rh 3dxz -0.000884 0.033686 -0.024188 0.002214 0.031181 -0.032473 0Rh 3dyz 0.030260 0.004880 -0.059417 -0.011070 -0.000618 0.030401 0Rh 3dx2y2 -0.008701 -0.044694 -0.017333 -0.016508 -0.065653 -0.006774 0Rh 3dxy 0.024787 -0.026967 -0.019244 0.029697 0.037522 0.008672 0Rh 4dz2 0.027277 0.046902 -0.073118 -0.006497 0.058725 0.070766 0Rh 4dxz 0.058307 0.052553 -0.021772 0.006425 0.077928 -0.066364 0Rh 4dyz 0.079591 0.008153 -0.231696 -0.024768 0.023579 0.060480 0Rh 4dx2y2 -0.026184 -0.086004 -0.039986 -0.034396 -0.125825 -0.016831 0Rh 4dxy 0.086840 -0.045004 -0.085195 0.072677 0.048695 0.006516 0Rh 5dz2 -0.051992 -0.152325 0.399619 -0.011882 -0.196168 -0.210027 0Rh 5dxz -0.285890 -0.160266 0.022547 -0.042267 -0.236711 0.216958 0Rh 5dyz -0.252951 -0.034052 1.098843 0.055536 -0.129044 -0.155670 0Rh 5dx2y2 0.102501 0.270835 0.175043 0.151723 0.372168 0.054653 0Rh 5dxy -0.276442 0.127566 0.413668 -0.191672 -0.127703 -0.003812 0Rh 1f0 0.006765 -0.019528 0.010117 0.020127 0.016063 0.032287 0Rh 1f+1 -0.001487 0.008141 -0.003549 0.015647 0.010043 -0.010537 0Rh 1f-1 0.011068 -0.002295 -0.011070 0.037057 0.027067 -0.063701 0Rh 1f+2 -0.016067 0.013362 0.023453 0.048837 0.030957 0.065288 0Rh 1f-2 -0.006215 0.003836 0.000072 0.039573 0.024454 -0.011583 0Rh 1f+3 -0.001632 0.022473 -0.009045 0.007425 0.003214 -0.040052 0Rh 1f-3 -0.007739 0.009292 0.004234 0.011818 0.005125 0.011041 1Rh 1s -0.000072 -0.003118 -0.000104 -0.000529 -0.000134 0.000156 1Rh 2s -0.000030 0.011439 0.000531 0.001014 -0.001328 -0.000600 1Rh 3s -0.000440 -0.011223 -0.000280 -0.002474 -0.001608 0.000547 1Rh 4s 0.000265 -0.053500 -0.002529 -0.004382 0.006748 0.002814 1Rh 5s -0.003148 0.043290 0.003139 -0.005260 -0.021422 -0.002581 1Rh 6s 0.010674 0.137713 0.001375 0.048302 0.049699 -0.006261 1Rh 7s -0.072147 -0.058159 0.009072 -0.361212 0.118698 0.086546 1Rh 8s -0.306415 -0.500724 -0.020156 -0.016746 -0.275580 0.014109 1Rh 1pz 0.017758 0.006472 -0.002795 0.006348 -0.000720 0.009808 1Rh 1px 0.005920 -0.018620 -0.003087 -0.017517 0.001403 0.007868 1Rh 1py 0.003216 -0.004401 -0.001111 -0.021290 0.006144 0.002541 1Rh 2pz -0.058540 -0.021446 0.009388 -0.021522 0.002456 -0.033049 1Rh 2px -0.019704 0.061746 0.010329 0.059205 -0.004682 -0.026548 1Rh 2py -0.010101 0.014654 0.003707 0.071306 -0.020574 -0.008613 1Rh 3pz -0.019696 -0.004717 -0.000039 0.005484 -0.000890 0.001444 1Rh 3px -0.002229 0.012416 0.000322 -0.012411 0.000575 0.003298 1Rh 3py -0.014006 0.001878 0.000294 0.002165 -0.001056 0.001947 1Rh 4pz 0.409285 0.140001 -0.056451 0.098551 -0.009832 0.195674 1Rh 4px 0.117148 -0.396187 -0.060112 -0.273957 0.015428 0.139465 1Rh 4py 0.112700 -0.091043 -0.021679 -0.420731 0.125405 0.041343 1Rh 5pz -0.628119 -0.232734 0.122114 -0.140451 0.004810 -0.376371 1Rh 5px -0.152257 0.637850 0.100729 0.346492 0.051105 -0.219962 1Rh 5py -0.180395 0.155488 0.030922 0.693107 -0.240089 -0.063942 1Rh 6pz 0.325130 0.564408 -1.537606 0.401188 -0.066957 2.373364 1Rh 6px -0.555116 -1.224470 -0.577835 -0.065762 -1.210834 0.775566 1Rh 6py 0.038213 -0.676062 -0.037412 -2.322976 2.386713 0.190855 1Rh 1dz2 0.011040 -0.015862 0.010864 -0.003661 -0.016817 0.020040 1Rh 1dxz 0.006031 -0.020274 0.012380 0.000252 -0.020091 -0.021967 1Rh 1dyz 0.021634 -0.005821 0.049781 -0.011321 -0.002718 0.018345 1Rh 1dx2y2 -0.005932 0.028086 0.010248 -0.012772 0.041531 -0.002053 1Rh 1dxy 0.021028 0.014190 0.019822 0.020093 -0.019496 0.001875 1Rh 2dz2 -0.001178 0.002378 -0.004076 0.000427 0.003368 -0.003270 1Rh 2dxz -0.003400 0.002398 -0.000746 -0.000234 0.003819 0.003556 1Rh 2dyz -0.004112 0.000804 -0.011884 0.002215 0.001430 -0.002677 1Rh 2dx2y2 0.001183 -0.004085 -0.001656 0.001858 -0.006176 0.000540 1Rh 2dxy -0.004923 -0.001580 -0.004880 -0.003752 0.001746 0.000076 1Rh 3dz2 -0.019196 0.024580 -0.006291 0.006325 0.022930 -0.030675 1Rh 3dxz 0.001533 0.034367 -0.024171 0.000507 0.028434 0.033894 1Rh 3dyz -0.029806 0.009233 -0.058639 0.015727 -0.000300 -0.029386 1Rh 3dx2y2 0.007839 -0.044323 -0.015560 0.020265 -0.065966 0.002238 1Rh 3dxy -0.025307 -0.024558 -0.022803 -0.028887 0.035899 -0.004464 1Rh 4dz2 -0.026904 0.050555 -0.073662 0.008566 0.063298 -0.063955 1Rh 4dxz -0.057263 0.054923 -0.022068 -0.004897 0.071621 0.070278 1Rh 4dyz -0.079132 0.017753 -0.230084 0.040918 0.024378 -0.053601 1Rh 4dx2y2 0.024534 -0.086713 -0.036015 0.041844 -0.127094 0.009519 1Rh 4dxy -0.087387 -0.036534 -0.092927 -0.067600 0.044355 -0.000785 1Rh 5dz2 0.050958 -0.163562 0.402935 -0.007388 -0.209854 0.184796 1Rh 5dxz 0.282950 -0.168329 0.025774 0.042086 -0.215857 -0.228689 1Rh 5dyz 0.252323 -0.059870 1.093917 -0.130864 -0.130772 0.121872 1Rh 5dx2y2 -0.097129 0.276486 0.159146 -0.177380 0.375140 -0.035476 1Rh 5dxy 0.278052 0.099782 0.432535 0.165098 -0.114680 -0.015056 1Rh 1f0 0.007336 0.018924 -0.008065 0.021500 -0.017645 0.030116 1Rh 1f+1 -0.001607 -0.007839 0.004720 0.015558 -0.009100 -0.011306 1Rh 1f-1 0.011154 0.001541 0.014059 0.035457 -0.019968 -0.065407 1Rh 1f+2 -0.016128 -0.013625 -0.018961 0.052370 -0.033948 0.061984 1Rh 1f-2 -0.006100 -0.003391 0.003128 0.040031 -0.022413 -0.013721 1Rh 1f+3 -0.002255 -0.022328 0.009164 0.006377 0.000103 -0.039379 1Rh 1f-3 -0.008044 -0.009664 -0.003051 0.012449 -0.005097 0.010669 2C 1s -0.002453 0.004642 0.004528 0.002808 -0.001059 0.000763 2C 2s -0.007257 0.016581 0.021665 0.005429 -0.005404 0.007145 2C 3s 0.008256 -0.267610 -0.409845 0.004807 0.084134 -0.156298 2C 4s 0.438969 1.135603 1.927481 -0.267390 -0.365539 0.795550 2C 5s 3.737197 0.286635 3.303602 -1.355983 0.252096 -0.176285 2C 1pz 0.016832 -0.013103 0.059736 -0.033735 -0.012450 0.035507 2C 1px -0.044132 -0.091974 0.006453 0.013209 -0.066254 -0.018759 2C 1py 0.023348 0.006037 0.063025 -0.004329 -0.011661 0.042015 2C 2pz 0.155824 0.524740 0.677784 -0.142239 -0.092867 0.301373 2C 2px -0.158208 -0.014895 0.085122 -0.065825 0.053540 0.101837 2C 2py 0.087028 0.375245 0.389011 -0.189649 -0.121728 0.149367 2C 3pz 0.688195 0.314369 1.234849 -0.497156 0.036902 0.155050 2C 3px 0.131978 -0.463358 0.235955 -0.102995 -0.152869 -0.092145 2C 3py 0.532404 0.308179 0.742082 -0.008843 -0.117313 0.328958 2C 1dz2 -0.004184 0.002238 -0.008635 0.003124 0.000685 -0.011040 2C 1dxz 0.004672 0.008713 -0.005512 0.000479 0.007681 -0.003868 2C 1dyz -0.004364 -0.002112 -0.014159 0.006960 0.007429 -0.010085 2C 1dx2y2 -0.008087 -0.006106 0.003367 -0.004269 -0.001660 0.005863 2C 1dxy -0.002273 0.000005 -0.004549 0.001507 0.003424 0.001031 2C 2dz2 -0.053854 0.173198 0.173120 -0.142161 0.004764 0.070980 2C 2dxz 0.337945 0.263461 0.166220 -0.078077 -0.154672 0.027307 2C 2dyz -0.293659 0.084653 0.223124 -0.038719 -0.073326 0.202944 2C 2dx2y2 -0.164445 -0.314992 -0.187643 -0.047750 0.003778 -0.097333 2C 2dxy -0.025380 -0.077855 0.083339 0.032059 -0.043581 0.047218 2C 1f0 -0.007610 -0.003346 -0.005568 0.003820 -0.000733 -0.001807 2C 1f+1 -0.012529 -0.011969 0.000328 0.005962 0.000469 0.000198 2C 1f-1 0.011743 0.023462 0.005460 0.005665 0.007369 -0.009502 2C 1f+2 0.011083 0.007648 -0.000431 -0.004985 -0.002832 0.005233 2C 1f-2 0.017866 0.012013 0.010723 -0.001096 -0.007820 -0.002821 2C 1f+3 -0.000117 0.008756 -0.006981 -0.004275 -0.003431 -0.004019 2C 1f-3 -0.022488 -0.018185 -0.007491 -0.003213 0.002609 -0.005696 3C 1s -0.002243 0.004756 -0.003007 -0.001918 0.000170 -0.000179 3C 2s -0.003379 0.017173 -0.016179 -0.000952 -0.000041 0.002708 3C 3s -0.087524 -0.285870 0.332547 -0.103801 -0.005760 -0.037868 3C 4s 0.649213 1.258689 -1.605867 0.763372 0.038118 0.204932 3C 5s 0.943758 0.729399 -3.460783 0.815354 0.327073 1.148991 3C 1pz 0.108443 0.072182 -0.062982 0.035277 0.002218 -0.019997 3C 1px 0.012214 -0.057886 0.003982 0.028392 0.039198 -0.014441 3C 1py 0.011671 0.045822 0.061937 -0.038198 0.011445 -0.009723 3C 2pz 0.106270 0.411874 -0.261985 0.191235 -0.009293 0.216990 3C 2px 0.131358 0.143751 -0.230757 0.045582 -0.110779 0.083235 3C 2py -0.347345 -0.541888 0.537916 -0.340570 -0.007968 -0.145257 3C 3pz -0.053382 0.633235 -0.549742 0.356495 0.097706 0.020115 3C 3px 0.064790 -0.150286 -0.435978 0.188908 -0.050366 -0.028761 3C 3py -0.539513 -0.266714 1.221169 -0.307844 -0.122610 -0.413257 3C 1dz2 -0.022406 0.000066 -0.001542 0.004455 0.001304 0.002938 3C 1dxz -0.011923 0.004319 0.005079 -0.002423 0.000870 -0.003282 3C 1dyz 0.017117 0.006089 -0.011474 0.008152 -0.002551 0.003422 3C 1dx2y2 -0.010400 -0.006588 -0.010756 0.009397 -0.006237 0.003710 3C 1dxy 0.003644 -0.004966 -0.005204 0.007373 0.001837 0.004104 3C 2dz2 0.044864 0.122241 0.024572 -0.028502 -0.025268 -0.080842 3C 2dxz 0.126924 0.243193 -0.055619 0.135686 0.166920 -0.031040 3C 2dyz -0.295835 0.003670 0.219745 -0.085173 0.115652 0.052671 3C 2dx2y2 0.055404 -0.343915 0.177898 -0.104050 0.072449 -0.215056 3C 2dxy 0.007784 -0.169262 0.069144 -0.134078 -0.062014 -0.098773 3C 1f0 0.004561 -0.025522 -0.005988 0.003477 -0.002705 -0.003849 3C 1f+1 0.002934 -0.017261 -0.001795 -0.006383 -0.007959 0.001729 3C 1f-1 -0.007060 0.004138 -0.001751 0.000910 0.001014 -0.003198 3C 1f+2 -0.003523 -0.015583 0.008235 -0.000793 -0.002740 0.009215 3C 1f-2 -0.004680 0.000838 0.003784 0.005902 -0.001238 0.010820 3C 1f+3 0.007546 0.000187 -0.000096 -0.004068 0.010719 -0.011733 3C 1f-3 -0.003950 0.012871 0.000059 0.004575 0.010987 0.008294 4C 1s -0.024010 -0.018360 0.018528 -0.000892 -0.009117 0.009844 4C 2s -0.066105 -0.052502 0.056253 -0.004474 -0.028248 0.031795 4C 3s 0.315500 0.366347 -0.641448 0.111013 0.324145 -0.488344 4C 4s 0.199223 -1.409729 1.791019 -0.553204 -1.107805 1.634783 4C 5s 0.631347 0.033754 -0.376385 -0.419897 -0.058303 1.725227 4C 1pz 0.093488 0.097305 0.082281 0.007131 -0.014827 0.162639 4C 1px 0.063336 -0.004591 0.046366 0.027383 -0.076050 0.038281 4C 1py 0.065553 0.061911 0.078886 -0.170599 -0.012828 -0.035676 4C 2pz 0.006659 0.402922 0.933057 -0.209267 -0.261475 0.395741 4C 2px -0.085647 0.089921 0.339210 -0.227392 -0.186756 0.392386 4C 2py 0.048697 0.268776 0.668912 -0.054649 -0.251072 0.521029 4C 3pz 4.284138 0.663932 4.375914 -1.195521 -0.212765 1.479418 4C 3px 0.625334 0.501795 1.269211 -0.235115 -0.275095 0.462324 4C 3py 2.704553 0.421031 3.109789 -1.602289 -0.148086 0.479059 4C 1dz2 0.003726 0.006562 -0.011473 0.006401 0.001035 -0.009484 4C 1dxz 0.007095 0.008213 -0.002233 0.004196 0.011443 -0.007756 4C 1dyz -0.004190 0.006345 -0.008905 0.004613 0.010952 -0.003920 4C 1dx2y2 0.001798 -0.004761 0.013946 -0.004528 -0.000927 0.015227 4C 1dxy 0.000186 0.004424 -0.001875 0.001178 -0.009167 0.005559 4C 2dz2 -0.100940 -0.278810 -0.502518 0.120064 0.149227 -0.346056 4C 2dxz -0.161467 -0.499380 -0.269061 0.072567 -0.051673 -0.231415 4C 2dyz 0.049476 -0.117276 -0.343999 0.125929 0.182289 -0.136792 4C 2dx2y2 0.513824 0.573535 0.603358 -0.212847 0.006034 0.419828 4C 2dxy 0.272665 0.200886 0.084304 -0.051810 -0.314944 0.173632 4C 1f0 -0.001928 0.001892 -0.014227 0.002621 0.001657 -0.013126 4C 1f+1 -0.007852 -0.007530 -0.037513 0.020118 0.018799 -0.038599 4C 1f-1 -0.010759 0.011681 0.021893 -0.000094 -0.002124 0.002239 4C 1f+2 0.004998 -0.002367 0.017634 -0.001033 -0.005756 0.023672 4C 1f-2 -0.011430 0.000677 0.007158 0.000421 -0.003627 0.004344 4C 1f+3 -0.002110 0.001079 0.002880 0.009610 -0.001334 0.000477 4C 1f-3 0.002356 -0.005087 -0.038334 0.013275 0.016416 -0.045465 5C 1s 0.000565 -0.018504 -0.020134 0.003731 -0.005217 0.005354 5C 2s 0.001490 -0.052728 -0.060518 0.013503 -0.016213 0.018462 5C 3s 0.030121 0.331984 0.639786 -0.258578 0.203463 -0.351484 5C 4s -0.057601 -1.237872 -1.816679 1.004038 -0.798199 1.298578 5C 5s -0.489791 0.193763 0.496389 1.336490 -0.020234 0.822308 5C 1pz 0.081745 0.087953 -0.064411 0.004704 -0.032717 0.183222 5C 1px 0.014887 0.031389 -0.018760 0.031682 0.034943 0.056706 5C 1py -0.040454 -0.083607 0.065567 -0.154493 -0.005519 0.056023 5C 2pz -0.092696 0.280006 -0.529262 0.377036 -0.224426 0.158158 5C 2px 0.157489 0.064815 -0.131204 0.017283 0.365571 -0.066825 5C 2py -0.442479 -0.515158 0.868942 -0.406823 0.248730 -0.459851 5C 3pz 1.186380 0.578058 -2.719756 0.914456 0.001865 1.276437 5C 3px 0.599295 0.563059 -1.423205 0.580219 0.734097 0.783543 5C 3py -0.638924 -1.303215 4.313100 -2.182843 -0.308682 -0.945359 5C 1dz2 0.024709 -0.002231 -0.000825 -0.005210 0.004531 -0.007370 5C 1dxz 0.009616 0.004302 0.013559 -0.008541 -0.000878 -0.009391 5C 1dyz -0.009973 -0.004423 -0.009110 0.006561 -0.001084 0.000834 5C 1dx2y2 0.020728 -0.008151 -0.012155 0.009368 -0.004463 0.006465 5C 1dxy 0.004332 -0.008504 -0.003960 0.003472 -0.007231 0.005685 5C 2dz2 0.366907 -0.270019 0.014124 -0.134251 -0.026123 -0.221677 5C 2dxz 0.034255 -0.497151 0.448672 -0.294110 0.047319 -0.297862 5C 2dyz -0.001810 -0.103298 -0.190938 0.089884 0.079496 -0.002764 5C 2dx2y2 0.365285 0.669258 -0.433377 0.392007 0.121789 0.232211 5C 2dxy 0.168668 0.364326 -0.316458 0.183556 -0.346305 0.201409 5C 1f0 -0.001309 -0.012942 0.031340 -0.022966 0.014364 -0.015396 5C 1f+1 -0.006046 -0.005672 0.022595 -0.016070 -0.003135 -0.013516 5C 1f-1 0.010578 -0.003922 0.002898 0.000182 0.000853 -0.004508 5C 1f+2 -0.008638 -0.008413 0.011385 0.005672 -0.008068 -0.004078 5C 1f-2 -0.000699 0.004766 -0.017679 0.019833 -0.013086 0.020204 5C 1f+3 0.001229 -0.002475 0.012361 -0.009471 -0.001004 -0.022052 5C 1f-3 -0.003146 0.005429 -0.030319 0.029515 -0.012146 0.030902 6C 1s -0.000930 -0.017481 -0.020223 -0.002197 -0.004732 -0.005364 6C 2s -0.002531 -0.049897 -0.061014 -0.008867 -0.014617 -0.018479 6C 3s -0.023088 0.319145 0.656955 0.211310 0.177479 0.354376 6C 4s 0.028575 -1.249676 -1.898282 -0.861775 -0.717329 -1.316942 6C 5s 0.486028 0.147766 0.373023 -1.363162 0.000608 -0.839963 6C 1pz 0.079462 -0.085993 0.066637 -0.000324 0.016664 0.183986 6C 1px 0.014134 -0.027451 0.022362 0.030587 -0.039153 0.051762 6C 1py -0.038657 0.081823 -0.080854 -0.149961 -0.003669 0.057643 6C 2pz -0.099915 -0.277605 0.565655 0.332271 0.220691 0.170845 6C 2px 0.157413 -0.064326 0.135397 0.037877 -0.375954 -0.112455 6C 2py -0.428558 0.519424 -0.910664 -0.344137 -0.215286 -0.466070 6C 3pz 1.176704 -0.487097 2.817772 0.724090 -0.084325 1.216854 6C 3px 0.591451 -0.527041 1.492510 0.518973 -0.766486 0.682055 6C 3py -0.616928 1.124262 -4.533719 -1.896416 0.317526 -0.828303 6C 1dz2 -0.024741 -0.001644 -0.000324 0.005468 0.004014 0.007579 6C 1dxz -0.009552 0.004488 0.014307 0.007081 -0.001332 0.009131 6C 1dyz 0.009852 -0.004792 -0.009804 -0.005753 -0.001096 -0.000521 6C 1dx2y2 -0.020892 -0.007606 -0.012986 -0.008419 -0.004214 -0.006411 6C 1dxy -0.004512 -0.008335 -0.004309 -0.003188 -0.007045 -0.005966 6C 2dz2 -0.371206 -0.248151 0.028234 0.141831 -0.045322 0.213939 6C 2dxz -0.044907 -0.487103 0.478619 0.256684 0.029957 0.301556 6C 2dyz 0.000141 -0.099867 -0.202368 -0.078861 0.081725 0.019022 6C 2dx2y2 -0.350231 0.652422 -0.473224 -0.375498 0.137450 -0.209241 6C 2dxy -0.159044 0.369359 -0.337851 -0.156464 -0.337177 -0.230475 6C 1f0 -0.000940 0.013257 -0.033360 -0.020373 -0.013595 -0.016202 6C 1f+1 -0.005968 0.005803 -0.024004 -0.015092 0.004193 -0.012641 6C 1f-1 0.010652 0.003645 -0.002925 0.000580 -0.000500 -0.004556 6C 1f+2 -0.008482 0.008900 -0.011011 0.006029 0.008939 -0.002965 6C 1f-2 -0.000813 -0.004417 0.019406 0.018072 0.012216 0.021349 6C 1f+3 0.001213 0.002019 -0.013286 -0.009359 0.002839 -0.021445 6C 1f-3 -0.003199 -0.005211 0.032869 0.027318 0.010166 0.031440 7C 1s 0.023577 -0.018872 0.018462 -0.000163 -0.008142 -0.010813 7C 2s 0.064884 -0.053912 0.056192 0.001220 -0.025076 -0.034797 7C 3s -0.308805 0.371030 -0.644775 -0.073561 0.277395 0.520342 7C 4s -0.219893 -1.399255 1.821822 0.454418 -0.953579 -1.740857 7C 5s -0.622561 0.043144 -0.346392 0.445841 0.108330 -1.708130 7C 1pz 0.092085 -0.096043 -0.081903 0.012335 0.001104 0.163487 7C 1px 0.063058 0.001579 -0.043711 0.029270 0.072492 0.045717 7C 1py 0.063691 -0.064349 -0.093727 -0.164925 0.009835 -0.033510 7C 2pz -0.002777 -0.400236 -0.949200 -0.165042 0.211332 0.417862 7C 2px -0.086908 -0.090287 -0.351892 -0.190749 0.164418 0.395704 7C 2py 0.043804 -0.257069 -0.672871 -0.016669 0.206333 0.539183 7C 3pz 4.254284 -0.747883 -4.461456 -0.900899 0.058309 1.583104 7C 3px 0.610529 -0.488218 -1.277629 -0.131222 0.225295 0.487874 7C 3py 2.693995 -0.515253 -3.256064 -1.384985 0.057877 0.551227 7C 1dz2 -0.003561 0.005510 -0.012246 -0.005433 0.000175 0.009594 7C 1dxz -0.007017 0.007928 -0.002708 -0.004540 0.010535 0.008916 7C 1dyz 0.004282 0.007018 -0.009180 -0.004285 0.010348 0.005257 7C 1dx2y2 -0.001911 -0.005658 0.014005 0.003333 0.000532 -0.015248 7C 1dxy -0.000159 0.004553 -0.001968 -0.000523 -0.008878 -0.006476 7C 2dz2 0.094667 -0.293420 -0.511674 -0.086038 0.117849 0.356653 7C 2dxz 0.151729 -0.498252 -0.277065 -0.066071 -0.077558 0.227459 7C 2dyz -0.051605 -0.102436 -0.355815 -0.112524 0.163910 0.153907 7C 2dx2y2 -0.499659 0.576279 0.617175 0.169521 0.049503 -0.416421 7C 2dxy -0.266170 0.212382 0.086283 0.052194 -0.302313 -0.201598 7C 1f0 -0.001773 -0.002097 0.014412 0.001840 -0.000371 -0.013322 7C 1f+1 -0.007503 0.007689 0.038821 0.017948 -0.014760 -0.040150 7C 1f-1 -0.010885 -0.011296 -0.021922 0.001182 0.001604 0.002601 7C 1f+2 0.004965 0.001809 -0.017486 -0.000446 0.003339 0.024140 7C 1f-2 -0.011497 -0.000312 -0.006994 0.000894 0.003349 0.004499 7C 1f+3 -0.002232 -0.000885 -0.002238 0.009196 0.001262 0.001013 7C 1f-3 0.002492 0.005025 0.039098 0.010666 -0.012467 -0.046624 8C 1s 0.002310 0.004823 -0.002745 0.002055 0.000339 0.000242 8C 2s 0.003655 0.017430 -0.015878 0.001866 0.000671 -0.002382 8C 3s 0.081486 -0.287018 0.342590 0.083269 -0.011112 0.030973 8C 4s -0.619942 1.247354 -1.686521 -0.662326 0.049796 -0.172409 8C 5s -0.933121 0.579590 -3.561396 -0.590133 0.382470 -1.034662 8C 1pz 0.106411 -0.070150 0.066200 0.030891 0.000699 -0.020615 8C 1px 0.013418 0.059262 -0.001907 0.028832 -0.036555 -0.019787 8C 1py 0.010482 -0.044469 -0.066599 -0.033458 -0.012058 -0.009528 8C 2pz 0.096277 -0.407088 0.284644 0.177224 -0.007350 0.211002 8C 2px 0.127898 -0.145912 0.239163 0.030170 0.101834 0.089202 8C 2py -0.333366 0.541491 -0.574741 -0.306359 0.017016 -0.134546 8C 3pz -0.067981 -0.605737 0.585090 0.325969 -0.086044 0.001746 8C 3px 0.069267 0.175699 0.456518 0.158900 0.054519 -0.040081 8C 3py -0.533253 0.254045 -1.255647 -0.227478 0.147727 -0.378026 8C 1dz2 0.022391 -0.000441 -0.002002 -0.004290 0.001505 -0.002704 8C 1dxz 0.011959 0.003986 0.005308 0.001993 0.000744 0.003206 8C 1dyz -0.016946 0.006075 -0.012291 -0.007336 -0.002409 -0.003385 8C 1dx2y2 0.010271 -0.006673 -0.011653 -0.008377 -0.006083 -0.004065 8C 1dxy -0.003795 -0.004864 -0.005940 -0.007009 0.001816 -0.003556 8C 2dz2 -0.041432 0.120430 0.028012 0.024691 -0.031036 0.076368 8C 2dxz -0.123417 0.238224 -0.067375 -0.135867 0.162087 0.048330 8C 2dyz 0.293496 -0.014815 0.228955 0.066749 0.122308 -0.043424 8C 2dx2y2 -0.062648 -0.341267 0.191039 0.092286 0.053042 0.217583 8C 2dxy -0.013085 -0.164891 0.082692 0.134443 -0.071086 0.089060 8C 1f0 0.005169 0.024909 0.006099 0.002555 0.003362 -0.003678 8C 1f+1 0.003169 0.016553 0.001065 -0.006789 0.007728 0.002651 8C 1f-1 -0.007158 -0.003590 0.001823 0.001029 -0.000814 -0.003271 8C 1f+2 -0.003252 0.015055 -0.008412 -0.000232 0.001876 0.009286 8C 1f-2 -0.004612 -0.000790 -0.003465 0.006005 0.000550 0.011041 8C 1f+3 0.007599 -0.000273 -0.000292 -0.003999 -0.009821 -0.012619 8C 1f-3 -0.004104 -0.011982 0.000318 0.004937 -0.011784 0.007144 9C 1s 0.002518 0.004696 0.004224 -0.003131 -0.001121 -0.000830 9C 2s 0.007488 0.016675 0.021004 -0.006901 -0.005041 -0.007591 9C 3s -0.012168 -0.267013 -0.409223 0.019584 0.070553 0.163307 9C 4s -0.419842 1.134956 1.949663 0.159221 -0.285586 -0.825939 9C 5s -3.719166 0.374698 3.415569 1.106165 0.265464 0.094781 9C 1pz 0.019592 0.013969 -0.063028 -0.031232 0.008048 0.037099 9C 1px -0.042873 0.093308 -0.004878 0.013105 0.067374 -0.012399 9C 1py 0.020129 -0.006485 -0.063351 -0.000353 0.008753 0.042697 9C 2pz 0.146454 -0.524334 -0.690210 -0.101314 0.058658 0.308053 9C 2px -0.156995 0.027208 -0.091494 -0.061375 -0.064905 0.096021 9C 2py 0.077925 -0.366237 -0.406263 -0.171464 0.100436 0.160333 9C 3pz 0.680839 -0.340766 -1.272590 -0.409148 -0.066883 0.172584 9C 3px 0.138408 0.452809 -0.247086 -0.092118 0.153611 -0.070111 9C 3py 0.525385 -0.296404 -0.746671 0.034254 0.095039 0.351568 9C 1dz2 0.004455 0.003023 -0.008703 -0.002550 -0.000379 0.011002 9C 1dxz -0.004521 0.009336 -0.005460 -0.000179 0.007057 0.004651 9C 1dyz 0.004242 -0.002622 -0.014857 -0.006216 0.006329 0.010872 9C 1dx2y2 0.008029 -0.005911 0.003861 0.004191 -0.001112 -0.006016 9C 1dxy 0.002278 0.000203 -0.004641 -0.001140 0.003380 -0.000743 9C 2dz2 0.058332 0.158995 0.182881 0.131956 0.018620 -0.067035 9C 2dxz -0.331973 0.274501 0.168844 0.066281 -0.149330 -0.039154 9C 2dyz 0.291699 0.073294 0.229230 0.031582 -0.053176 -0.207624 9C 2dx2y2 0.156710 -0.326713 -0.185290 0.062689 -0.003270 0.098997 9C 2dxy 0.025004 -0.069821 0.080279 -0.038694 -0.039319 -0.051784 9C 1f0 -0.007596 0.004671 0.005882 0.002806 0.001156 -0.001711 9C 1f+1 -0.012389 0.012244 0.000134 0.006014 -0.000281 0.000199 9C 1f-1 0.011117 -0.023721 -0.004970 0.006035 -0.006403 -0.010277 9C 1f+2 0.010265 -0.007803 0.000480 -0.004697 0.002131 0.005559 9C 1f-2 0.017585 -0.012547 -0.010711 -0.000787 0.008197 -0.002317 9C 1f+3 0.000100 -0.008638 0.006457 -0.004604 0.003847 -0.003562 9C 1f-3 -0.022286 0.018838 0.007420 -0.003979 -0.002402 -0.006133 10H 1s -0.029373 -0.064383 -0.019457 0.004380 -0.012522 -0.000248 10H 2s 0.519111 0.430209 0.159025 -0.032137 -0.098090 0.059810 10H 3s -0.367543 0.279788 0.060613 0.026958 0.058320 0.271468 10H 1pz 0.054022 0.041328 0.013359 -0.010171 -0.012158 -0.018813 10H 1px 0.003373 0.008854 0.011129 0.000551 0.012010 -0.002195 10H 1py 0.015156 0.006400 0.002724 0.013925 -0.004091 -0.000878 11H 1s 0.048778 0.030638 0.002841 -0.003501 0.001671 -0.008344 11H 2s -0.422388 -0.344735 -0.032050 0.066066 0.064028 0.113611 11H 3s -0.057615 -0.014735 0.239622 -0.063577 -0.101843 0.088177 11H 1pz -0.069032 -0.043875 -0.040134 0.011506 0.015051 0.003345 11H 1px 0.008358 0.012008 0.002930 -0.022484 0.014892 -0.007916 11H 1py -0.013222 0.003846 -0.010935 -0.011299 -0.007651 -0.015343 12H 1s 0.026833 -0.002217 -0.001863 0.009279 0.008984 0.003329 12H 2s -0.187238 -0.098856 -0.096976 -0.167184 -0.060629 0.011180 12H 3s -0.114324 0.083130 0.154542 0.141213 -0.203833 0.231763 12H 1pz -0.007454 0.004195 -0.008637 0.009205 0.005148 -0.000801 12H 1px 0.037656 0.040978 -0.000295 0.008859 0.006191 0.014035 12H 1py -0.036744 -0.021733 -0.037537 -0.026750 0.001682 -0.017442 13H 1s -0.005013 -0.061856 0.012095 -0.003527 -0.004315 -0.014434 13H 2s -0.072635 0.387477 0.057248 0.199406 0.195257 0.155070 13H 3s -0.003536 0.263407 -0.056158 0.093198 -0.022535 -0.029670 13H 1pz -0.011628 -0.002145 0.012499 0.012705 0.004402 0.004823 13H 1px 0.012014 0.002627 -0.021708 -0.003316 -0.016357 -0.018438 13H 1py 0.019606 -0.047271 -0.002631 -0.006273 -0.012119 -0.027183 14H 1s -0.009854 -0.014742 0.001190 0.007516 0.002057 -0.018914 14H 2s -0.106872 -0.017439 -0.007898 -0.021312 -0.198659 0.194389 14H 3s -0.016528 0.087772 -0.021016 0.163349 0.033343 -0.146805 14H 1pz -0.020389 -0.042485 0.018291 -0.026846 -0.015634 0.033888 14H 1px -0.025106 0.024247 0.006717 0.000255 -0.022541 0.016124 14H 1py 0.013187 -0.021786 -0.005787 0.003365 -0.001910 0.006330 15H 1s 0.013641 0.042351 0.000931 0.000084 0.005208 -0.004693 15H 2s 0.232043 -0.395673 -0.037983 0.009852 -0.049025 -0.175093 15H 3s 0.129564 -0.039609 -0.192401 0.077859 0.037853 0.026899 15H 1pz -0.019451 -0.014625 0.017901 -0.011508 -0.006827 0.004358 15H 1px 0.015692 0.006593 0.004923 -0.012024 0.007414 0.025628 15H 1py -0.040816 0.043665 -0.024061 0.014081 0.013887 0.010152 16H 1s 0.003492 -0.025024 -0.034822 0.015944 -0.006482 -0.017109 16H 2s 0.095431 -0.007044 -0.021935 0.478865 0.728954 -0.147786 16H 3s -0.054085 0.013089 -0.090423 0.120862 0.094900 -0.026264 16H 1pz -0.005072 -0.000586 0.046893 0.072112 0.096538 0.049400 16H 1px 0.052402 -0.031248 -0.118425 0.099904 0.138099 -0.200440 16H 1py 0.001939 0.038861 -0.058838 -0.166725 -0.163312 -0.116356 17H 1s -0.003029 -0.033455 0.024719 0.017486 -0.001922 0.002859 17H 2s 0.049773 0.000943 0.056500 0.516181 0.756847 0.065506 17H 3s 0.040752 0.017205 0.086335 0.108734 0.076119 -0.017666 17H 1pz -0.019186 0.039138 -0.048293 -0.153610 -0.195565 -0.036146 17H 1px -0.016099 -0.057998 0.108105 0.069232 0.095115 0.161024 17H 1py -0.030472 0.017511 0.038587 -0.101599 -0.084752 0.148535 18H 1s 0.002025 -0.033732 0.021808 -0.019504 -0.002685 -0.001780 18H 2s -0.049868 0.007204 0.018635 -0.541830 0.745504 -0.020939 18H 3s -0.039707 0.016748 0.072733 -0.115499 0.070602 0.021686 18H 1pz -0.019117 -0.036896 0.038893 -0.160417 0.189475 -0.027079 18H 1px -0.014066 0.057644 -0.099689 0.084852 -0.103117 0.148766 18H 1py -0.030982 -0.016843 -0.043648 -0.100916 0.075138 0.149999 19H 1s -0.003891 -0.024626 -0.036879 -0.011771 -0.008583 0.017687 19H 2s -0.096560 0.001368 -0.055023 -0.499765 0.705835 0.185875 19H 3s 0.054112 0.014904 -0.101828 -0.114907 0.087278 0.036305 19H 1pz -0.004928 0.000590 -0.043302 0.085614 -0.102867 0.045047 19H 1px 0.052758 0.029566 0.123389 0.091102 -0.123232 -0.206010 19H 1py 0.001793 -0.036050 0.046361 -0.176041 0.162369 -0.103688 20H 1s -0.012613 0.039795 0.000683 -0.000681 0.004658 0.004848 20H 2s -0.240195 -0.373294 -0.037084 -0.001565 -0.066602 0.168303 20H 3s -0.129268 -0.030056 -0.198554 -0.064855 0.042514 -0.020686 20H 1pz -0.019058 0.013612 -0.018942 -0.010335 0.005785 0.005181 20H 1px 0.015778 -0.007426 -0.005435 -0.011144 -0.009642 0.025352 20H 1py -0.041484 -0.040719 0.025817 0.013409 -0.014475 0.008680 21H 1s 0.009573 -0.014732 0.000457 -0.007255 0.000149 0.018679 21H 2s 0.107857 -0.019460 -0.008750 0.023474 -0.180331 -0.210983 21H 3s 0.018951 0.089338 -0.035161 -0.166376 0.019578 0.151782 21H 1pz -0.019807 0.040818 -0.020589 -0.025771 0.012302 0.035588 21H 1px -0.025723 -0.023627 -0.006298 0.000912 0.020668 0.017946 21H 1py 0.013680 0.020667 0.006501 0.002913 0.001872 0.006554 22H 1s 0.003486 -0.061391 0.012494 0.003203 -0.005994 0.014054 22H 2s 0.080311 0.374112 0.039470 -0.209730 0.205995 -0.135859 22H 3s 0.010694 0.279460 -0.062393 -0.087800 -0.027411 0.020474 22H 1pz -0.011113 0.002000 -0.011356 0.013372 -0.004738 0.003751 22H 1px 0.011958 -0.003260 0.021605 -0.005250 0.017537 -0.016872 22H 1py 0.020472 0.044795 0.001746 -0.007117 0.014489 -0.025993 23H 1s -0.028117 -0.000226 -0.002210 -0.009152 0.008902 -0.002228 23H 2s 0.191399 -0.129769 -0.085394 0.179470 -0.053812 -0.012485 23H 3s 0.113343 0.078516 0.145670 -0.142304 -0.187365 -0.244734 23H 1pz -0.008866 -0.002205 0.010425 0.009399 -0.004429 -0.001440 23H 1px 0.036890 -0.040717 0.000718 0.009134 -0.006579 0.014070 23H 1py -0.035863 0.025354 0.035763 -0.029010 -0.001233 -0.017587 24H 1s -0.047132 0.031450 0.002850 0.003875 0.000655 0.008711 24H 2s 0.409137 -0.346684 -0.032138 -0.063666 0.075665 -0.108837 24H 3s 0.058050 -0.009967 0.243425 0.049584 -0.088254 -0.093115 24H 1pz -0.068126 0.044085 0.040416 0.009850 -0.014742 0.002377 24H 1px 0.008417 -0.013455 -0.005105 -0.021590 -0.015919 -0.009361 24H 1py -0.012107 -0.004698 0.009432 -0.012477 0.008224 -0.015082 25H 1s 0.028340 -0.065969 -0.019698 -0.002428 -0.012471 -0.000671 25H 2s -0.509060 0.456761 0.158710 0.016302 -0.091602 -0.067953 25H 3s 0.371592 0.264846 0.055867 -0.026688 0.080070 -0.257076 25H 1pz 0.052364 -0.042540 -0.013797 -0.009040 0.012867 -0.017594 25H 1px 0.003648 -0.008375 -0.011411 0.000284 -0.011884 -0.003684 25H 1py 0.015962 -0.009050 -0.002352 0.014227 0.004249 0.000398 26O 1s -0.006189 0.002599 -0.000379 0.000177 -0.005221 0.002214 26O 2s -0.011712 0.004146 -0.001312 -0.000080 -0.012118 0.003390 26O 3s -0.042381 0.044614 0.023333 -0.000103 -0.006903 0.060727 26O 4s 0.491347 -0.441241 0.080612 -0.011288 0.256770 -0.442123 26O 5s -2.703278 0.110327 -3.400464 0.906436 0.406414 -0.876679 26O 1pz 0.031662 0.040331 -0.024086 0.012904 0.030463 0.012729 26O 1px 0.048267 0.031391 0.024641 -0.004109 -0.024198 0.013492 26O 1py 0.042483 0.036817 0.002554 -0.021975 0.035945 -0.010003 26O 2pz 0.220090 0.114650 0.106092 -0.042963 0.025956 0.134755 26O 2px 0.162503 0.158681 0.313133 -0.073382 -0.136914 0.271593 26O 2py 0.217538 0.132255 0.179095 -0.138513 -0.032394 0.117091 26O 3pz -0.892172 0.172274 -0.754012 -0.166169 -0.243049 0.159895 26O 3px 0.556114 -0.313008 0.924780 -0.580754 -0.631984 0.825571 26O 3py -0.367251 -0.102115 0.118715 0.161317 0.013779 0.815357 26O 1dz2 -0.003360 -0.000243 0.000627 0.002113 0.000910 -0.005007 26O 1dxz 0.000060 0.005757 0.004285 -0.003270 -0.002189 0.003475 26O 1dyz -0.001252 0.002397 0.007246 0.000082 -0.001478 -0.002152 26O 1dx2y2 0.003396 -0.001134 -0.000761 -0.000006 -0.004294 0.002471 26O 1dxy 0.004392 0.002289 0.008095 -0.003263 0.001040 0.003954 26O 2dz2 0.012555 -0.021640 0.100581 -0.015012 -0.016859 0.165068 26O 2dxz 0.005185 0.004945 -0.029872 0.057227 0.034495 0.000037 26O 2dyz 0.064519 -0.001324 0.035380 -0.085026 -0.051418 0.056965 26O 2dx2y2 0.014305 0.010109 -0.054676 0.042502 0.032266 -0.049311 26O 2dxy 0.049086 0.008660 -0.046750 0.013755 0.059885 -0.060758 26O 1f0 -0.000996 -0.002599 -0.001757 -0.001684 -0.001544 -0.001371 26O 1f+1 0.005805 0.001849 -0.004452 0.001702 0.002788 -0.003724 26O 1f-1 0.003628 -0.000657 -0.004366 -0.001539 0.000923 0.003422 26O 1f+2 -0.003390 0.003263 0.001671 0.002201 0.001961 0.000265 26O 1f-2 0.003584 0.001343 0.001350 -0.000860 0.000355 0.003247 26O 1f+3 0.002557 0.003612 -0.003044 -0.003014 0.002277 -0.004227 26O 1f-3 0.004600 0.002159 -0.007495 0.002865 0.001818 -0.006115 27O 1s -0.001322 0.000460 0.007513 0.002488 0.006444 0.004824 27O 2s -0.001788 -0.000607 0.016925 0.006290 0.014451 0.012369 27O 3s -0.024881 0.042302 0.001533 0.001906 0.015154 -0.011324 27O 4s 0.232579 -0.318636 -0.590535 -0.158254 -0.477482 -0.171416 27O 5s -0.956573 -0.418469 3.797956 -0.783744 0.719325 -0.692676 27O 1pz -0.014455 0.030471 -0.008914 0.002390 -0.009589 0.008107 27O 1px -0.001301 0.050837 -0.010215 -0.021119 0.019719 -0.020402 27O 1py -0.007767 -0.054819 0.004196 -0.005009 0.026623 0.044715 27O 2pz -0.009658 0.070612 -0.053347 0.021504 -0.037612 0.081410 27O 2px 0.015640 0.225926 -0.237942 0.119667 0.080580 0.109439 27O 2py -0.081381 -0.169798 0.146238 -0.119495 0.018708 0.006489 27O 3pz -0.161240 0.009371 0.608164 0.113248 0.421050 -0.315972 27O 3px 0.227341 -0.402560 -0.348080 0.849909 0.342096 0.612525 27O 3py 0.216237 0.131520 -1.118384 0.029925 -0.292327 -0.545130 27O 1dz2 0.001044 -0.001040 0.003277 -0.000969 -0.000709 -0.002014 27O 1dxz -0.000464 0.003868 -0.006227 0.000596 0.000108 0.002333 27O 1dyz -0.001604 -0.000575 0.007204 0.001147 0.001947 -0.000201 27O 1dx2y2 0.000145 -0.000496 0.002494 0.002247 0.004135 0.000461 27O 1dxy -0.005394 -0.005780 0.006374 -0.000224 0.003522 -0.002774 27O 2dz2 -0.015637 -0.014989 -0.009417 -0.042246 -0.022437 0.062011 27O 2dxz -0.027719 0.002302 -0.010984 0.031555 -0.012359 0.045121 27O 2dyz -0.013209 0.012281 0.018474 -0.034608 -0.013629 -0.118156 27O 2dx2y2 -0.042559 0.025012 0.057225 -0.064792 -0.035213 0.006382 27O 2dxy -0.037023 -0.003830 -0.015366 -0.058835 0.014059 -0.000403 27O 1f0 -0.001248 -0.001966 -0.002722 -0.000249 -0.000504 -0.003494 27O 1f+1 -0.002853 0.002066 0.005408 -0.000796 -0.000392 -0.001616 27O 1f-1 0.001730 0.000353 -0.001888 0.000321 -0.000699 -0.000822 27O 1f+2 0.001483 0.004447 -0.002017 -0.003227 -0.002284 0.001209 27O 1f-2 -0.000625 0.001208 -0.001835 -0.003475 -0.001273 -0.001998 27O 1f+3 0.001020 0.003333 0.006006 0.003255 0.001814 -0.004040 27O 1f-3 -0.001523 0.002508 -0.005387 0.001489 -0.000877 -0.000174 28O 1s -0.004941 0.004252 -0.007024 -0.000403 0.004206 0.007897 28O 2s -0.007641 0.007702 -0.016166 -0.001736 0.009618 0.019778 28O 3s -0.070638 0.052466 0.010558 0.012266 0.003196 -0.012941 28O 4s 0.681694 -0.599425 0.490283 -0.042644 -0.342058 -0.344727 28O 5s -3.353655 0.428506 -3.954324 0.619556 1.146715 -0.406891 28O 1pz 0.042616 0.070210 0.027251 0.014799 0.017632 -0.030505 28O 1px -0.024756 -0.024218 -0.000732 -0.015482 -0.022383 0.025157 28O 1py 0.016508 0.040633 0.005057 -0.022030 -0.017743 -0.034282 28O 2pz 0.278711 0.233593 0.305523 -0.026086 -0.039566 0.133504 28O 2px -0.076920 -0.156922 -0.188953 0.020996 -0.030168 -0.056702 28O 2py 0.158000 0.080304 0.113368 -0.102467 -0.020271 -0.009205 28O 3pz -0.624678 -0.287438 -0.720502 -0.399433 0.419522 0.606089 28O 3px -0.659228 0.403768 -0.772076 0.320994 0.400019 -0.671867 28O 3py -0.663543 0.090193 -0.916041 0.443893 -0.066600 0.479185 28O 1dz2 0.005563 0.002474 0.009248 -0.000144 -0.001723 0.002230 28O 1dxz -0.002489 -0.002045 -0.001813 0.000371 -0.001204 -0.002725 28O 1dyz 0.007444 0.001866 0.008994 -0.000102 -0.006843 0.000597 28O 1dx2y2 -0.000173 -0.001230 -0.003303 -0.000372 0.001393 -0.000617 28O 1dxy -0.000992 -0.003067 0.000702 -0.000334 0.003472 -0.001381 28O 2dz2 0.063127 0.015942 0.003743 0.008578 -0.036405 0.090391 28O 2dxz 0.000502 -0.009930 0.056519 0.042233 -0.050641 0.058511 28O 2dyz 0.094542 -0.012020 0.020112 -0.070541 0.006565 0.070783 28O 2dx2y2 -0.011529 0.010447 -0.054627 0.055318 -0.013857 0.006659 28O 2dxy 0.005093 -0.017632 0.019488 0.026338 0.017889 0.039685 28O 1f0 0.002477 0.002173 -0.002889 0.000567 0.000128 0.000875 28O 1f+1 -0.000849 -0.000355 -0.005828 -0.002896 0.003523 -0.002966 28O 1f-1 0.002791 -0.001127 -0.002620 -0.003618 0.001924 0.003002 28O 1f+2 -0.003974 -0.003299 0.008222 0.001821 -0.003821 0.001511 28O 1f-2 -0.001747 -0.000645 -0.003938 0.003357 0.000806 0.002333 28O 1f+3 -0.001776 -0.003022 0.001723 0.000441 -0.001624 0.001732 28O 1f-3 0.001933 -0.001037 -0.001798 0.000363 0.000565 0.000927 29O 1s 0.001355 0.001206 -0.000111 -0.003077 -0.003129 0.000344 29O 2s 0.003438 0.003849 -0.000472 -0.006353 -0.004978 0.000517 29O 3s -0.006598 -0.020918 0.005150 -0.016288 -0.043152 0.006960 29O 4s -0.026120 0.122724 -0.014270 0.288215 0.519225 -0.051607 29O 5s 0.055931 -0.568973 -0.009083 -0.922385 -1.847325 0.114643 29O 1pz 0.013453 -0.022966 0.009208 0.012455 0.002763 -0.005237 29O 1px 0.007492 0.051733 0.003843 -0.028306 -0.004107 0.004644 29O 1py 0.015199 -0.005276 0.000772 0.026426 0.012304 -0.005463 29O 2pz -0.004151 -0.013270 0.085362 0.015064 0.032530 0.049289 29O 2px 0.002306 0.017453 0.028514 -0.038101 -0.064710 0.017293 29O 2py 0.001551 0.038255 -0.000972 -0.044706 -0.029608 0.009023 29O 3pz 0.041718 -0.064152 -0.369269 0.121192 0.076091 -0.430860 29O 3px -0.097154 0.259710 -0.133854 -0.310948 -0.159372 -0.101883 29O 3py 0.042369 -0.080672 0.048283 0.764158 1.012310 -0.047543 29O 1dz2 -0.000192 -0.001162 -0.003207 -0.002973 -0.004716 -0.003197 29O 1dxz -0.001496 -0.003169 0.003665 -0.000551 -0.003143 0.005855 29O 1dyz 0.000194 -0.001360 0.000447 0.003467 0.004029 0.002641 29O 1dx2y2 0.000187 0.005108 0.001299 -0.002878 0.000802 0.002935 29O 1dxy -0.000650 0.002705 -0.000314 -0.006076 -0.006846 0.001435 29O 2dz2 -0.023892 0.048133 -0.079693 -0.198706 -0.251888 -0.085219 29O 2dxz -0.035707 -0.002930 0.095269 -0.064094 -0.121376 0.170046 29O 2dyz -0.024763 -0.024929 0.044277 0.101925 0.122744 0.121769 29O 2dx2y2 -0.013756 -0.009256 0.032544 -0.127739 -0.066774 0.098508 29O 2dxy -0.006840 0.024704 0.002571 -0.088345 -0.137023 0.047989 29O 1f0 -0.000013 0.003634 0.001230 -0.003202 0.000201 0.000246 29O 1f+1 0.000595 -0.002183 0.000780 0.002097 0.000387 0.000016 29O 1f-1 -0.000135 0.002321 0.003209 -0.000742 0.001041 0.000959 29O 1f+2 -0.000173 -0.002795 -0.001677 0.002876 0.000094 -0.002249 29O 1f-2 0.000754 0.001610 -0.003386 0.000316 0.001760 0.000455 29O 1f+3 -0.000409 -0.003913 0.001189 0.003069 0.000930 -0.000157 29O 1f-3 0.000615 -0.001890 0.001738 0.001835 0.001746 -0.000609 30O 1s -0.003422 0.004936 0.001570 0.002367 -0.007434 0.001012 30O 2s -0.007290 0.009086 0.003733 0.006067 -0.016586 0.000683 30O 3s -0.009143 0.059489 -0.015364 0.005559 -0.022530 0.051228 30O 4s 0.178316 -0.651603 -0.179975 -0.145810 0.488423 -0.322604 30O 5s -0.568328 0.043275 3.320020 -1.111977 -0.258916 -0.710836 30O 1pz 0.001681 0.047240 0.006809 -0.012683 0.003497 0.033025 30O 1px 0.008638 -0.019573 0.024016 -0.013636 0.040873 0.005917 30O 1py -0.036869 -0.061939 -0.007656 -0.004419 -0.047271 0.006014 30O 2pz 0.010568 0.194941 -0.180836 0.106349 -0.046799 0.217958 30O 2px 0.013708 -0.162040 0.182421 -0.076883 0.140521 -0.104642 30O 2py -0.122386 -0.232233 0.199233 -0.196459 0.004164 -0.117202 30O 3pz -0.082835 -0.064328 0.087073 0.573217 -0.708849 -0.045280 30O 3px -0.243531 0.264985 1.190209 -0.550700 0.270746 -0.555283 30O 3py 0.215380 0.033465 -0.077121 -0.317525 0.698319 -0.654629 30O 1dz2 -0.000863 0.001433 0.002386 0.001033 -0.001030 0.000754 30O 1dxz 0.001787 -0.001226 0.000078 -0.002440 0.004247 -0.003963 30O 1dyz 0.001012 -0.003620 0.008546 -0.002889 -0.000036 -0.000326 30O 1dx2y2 0.001107 -0.003654 0.004305 -0.003767 -0.002725 0.000614 30O 1dxy 0.004458 0.002903 -0.002078 0.004715 -0.001688 0.003676 30O 2dz2 -0.037739 0.003198 -0.001367 -0.063222 0.007673 0.081252 30O 2dxz 0.014640 0.010015 -0.082137 0.057278 -0.052729 0.088498 30O 2dyz -0.006574 0.004404 0.001306 -0.059082 -0.016961 -0.041710 30O 2dx2y2 -0.031470 -0.014208 0.021869 -0.029885 0.004988 0.014037 30O 2dxy 0.033090 0.000297 0.093111 -0.118605 0.096623 -0.080916 30O 1f0 -0.001425 0.002087 0.003001 -0.005269 0.003594 -0.003073 30O 1f+1 -0.001508 -0.001270 0.000756 0.000541 -0.000901 -0.003187 30O 1f-1 0.000941 -0.000766 0.001302 -0.000346 0.000358 -0.004556 30O 1f+2 -0.000764 -0.001741 -0.003606 -0.002556 -0.002519 0.000329 30O 1f-2 -0.001013 -0.000609 -0.008466 0.000367 -0.001492 0.003580 30O 1f+3 0.002075 -0.002309 0.001143 0.000063 -0.002329 0.002538 30O 1f-3 -0.004724 -0.001714 -0.004903 0.002477 -0.002380 0.001868 31O 1s 0.003595 0.004976 0.001411 -0.002211 -0.007327 -0.001879 31O 2s 0.007644 0.008982 0.003311 -0.005746 -0.016446 -0.002605 31O 3s 0.010403 0.063465 -0.015862 -0.003578 -0.019459 -0.053906 31O 4s -0.196056 -0.679976 -0.168492 0.140908 0.467273 0.386511 31O 5s 0.579572 0.185199 3.429916 0.898571 -0.286815 0.596058 31O 1pz 0.000565 -0.046861 -0.007008 -0.011148 -0.006135 0.032721 31O 1px 0.009039 0.018812 -0.024831 -0.010107 -0.041871 0.001857 31O 1py -0.035969 0.062595 0.006588 -0.006765 0.045202 0.009825 31O 2pz 0.006331 -0.189236 0.192522 0.093520 0.032210 0.220073 31O 2px 0.017371 0.162441 -0.188242 -0.059909 -0.134696 -0.117243 31O 2py -0.117488 0.226702 -0.219025 -0.184576 -0.002316 -0.115486 31O 3pz -0.083864 0.058451 -0.036062 0.558494 0.733639 0.020012 31O 3px -0.249516 -0.299745 -1.247330 -0.452992 -0.245167 -0.551595 31O 3py 0.218542 -0.020207 0.050379 -0.277081 -0.650164 -0.731676 31O 1dz2 0.000900 0.001440 0.002258 -0.001319 -0.000988 -0.000828 31O 1dxz -0.001816 -0.001203 0.000378 0.002371 0.004112 0.004363 31O 1dyz -0.001082 -0.003116 0.008801 0.002340 -0.000073 0.000045 31O 1dx2y2 -0.001188 -0.003344 0.004626 0.003543 -0.002726 -0.001059 31O 1dxy -0.004376 0.003034 -0.002560 -0.004380 -0.001677 -0.003945 31O 2dz2 0.037449 0.003198 0.003839 0.063447 0.016168 -0.080285 31O 2dxz -0.014392 0.010774 -0.086938 -0.047636 -0.047731 -0.093253 31O 2dyz 0.006599 0.008655 0.007005 0.058289 -0.020334 0.039485 31O 2dx2y2 0.030702 -0.012646 0.025464 0.028994 0.007507 -0.013605 31O 2dxy -0.033472 0.001511 0.103503 0.108942 0.094247 0.088803 31O 1f0 -0.001460 -0.001989 -0.003458 -0.004914 -0.003567 -0.003387 31O 1f+1 -0.001474 0.001278 -0.000689 0.000561 0.001223 -0.003098 31O 1f-1 0.000970 0.000647 -0.001385 -0.000205 0.000017 -0.004578 31O 1f+2 -0.000727 0.001605 0.003292 -0.002872 0.002388 0.000437 31O 1f-2 -0.001008 0.000644 0.008425 -0.000279 0.001171 0.003548 31O 1f+3 0.002106 0.002235 -0.001085 -0.000015 0.002177 0.002811 31O 1f-3 -0.004688 0.001613 0.005020 0.002028 0.002285 0.001997 32O 1s -0.001327 0.001221 0.000121 0.003205 -0.003013 -0.000459 32O 2s -0.003360 0.003905 -0.000045 0.006626 -0.004769 -0.000575 32O 3s 0.006315 -0.021374 0.007727 0.016450 -0.041628 -0.011249 32O 4s 0.027758 0.124994 -0.041768 -0.300792 0.504572 0.086300 32O 5s -0.065874 -0.576969 0.065179 0.977395 -1.809018 -0.224938 32O 1pz 0.013674 0.022458 -0.008304 0.012542 -0.001201 -0.005107 32O 1px 0.006295 -0.051777 -0.005680 -0.028279 0.003039 0.005125 32O 1py 0.015373 0.004083 0.001052 0.026916 -0.011029 -0.005615 32O 2pz -0.003413 0.014563 -0.083643 0.026234 -0.035931 0.047272 32O 2px 0.001993 -0.016732 -0.029567 -0.037467 0.062991 0.019427 32O 2py 0.000412 -0.037966 -0.006445 -0.044179 0.026210 0.014067 32O 3pz 0.040696 0.055697 0.372998 0.066797 -0.022266 -0.426836 32O 3px -0.103221 -0.256727 0.104245 -0.330412 0.161446 -0.084143 32O 3py 0.045560 0.073565 0.019985 0.793408 -0.982868 -0.121760 32O 1dz2 0.000166 -0.001145 -0.003013 0.003547 -0.004954 0.002857 32O 1dxz 0.001396 -0.003250 0.003623 0.000098 -0.002597 -0.005944 32O 1dyz -0.000194 -0.001212 0.000136 -0.003485 0.003870 -0.002312 32O 1dx2y2 -0.000111 0.005100 0.001394 0.002673 0.001082 -0.002693 32O 1dxy 0.000741 0.002664 0.000229 0.006309 -0.006606 -0.002001 32O 2dz2 0.024759 0.045570 -0.066724 0.220205 -0.256703 0.073107 32O 2dxz 0.034702 -0.004076 0.096789 0.053519 -0.106435 -0.170822 32O 2dyz 0.025774 -0.022610 0.035935 -0.097495 0.113547 -0.112054 32O 2dx2y2 0.012210 -0.010417 0.039647 0.125596 -0.056722 -0.095208 32O 2dxy 0.008414 0.025114 0.010502 0.094758 -0.134180 -0.062976 32O 1f0 -0.000072 -0.003408 -0.001484 -0.002974 -0.000315 0.000324 32O 1f+1 0.000655 0.002279 -0.000567 0.002215 -0.000222 -0.000099 32O 1f-1 -0.000159 -0.002403 -0.003351 -0.000378 -0.001234 0.000972 32O 1f+2 -0.000094 0.002934 0.001986 0.002663 0.000209 -0.002362 32O 1f-2 0.000700 -0.001673 0.003324 0.000099 -0.001762 0.000366 32O 1f+3 -0.000316 0.003868 -0.000813 0.003138 -0.000792 -0.000296 32O 1f-3 0.000638 0.001854 -0.001634 0.002024 -0.001667 -0.000642 33O 1s 0.005000 0.004250 -0.007025 0.001078 0.004748 -0.007434 33O 2s 0.007724 0.007871 -0.016104 0.003260 0.010901 -0.018726 33O 3s 0.071920 0.048888 0.009573 -0.012065 0.004454 0.013426 33O 4s -0.692479 -0.574902 0.494049 -0.003672 -0.377569 0.305343 33O 5s 3.349138 0.330671 -4.000036 -0.357916 1.092854 0.560535 33O 1pz 0.041090 -0.069801 -0.026340 0.017888 -0.016324 -0.032640 33O 1px -0.024325 0.024489 -0.000282 -0.014897 0.019897 0.026826 33O 1py 0.015765 -0.039522 -0.007637 -0.021714 0.019011 -0.032908 33O 2pz 0.272861 -0.237746 -0.307473 -0.007709 0.022609 0.137625 33O 2px -0.073711 0.157314 0.190443 0.011644 0.038597 -0.055650 33O 2py 0.156331 -0.080750 -0.123075 -0.094245 0.016217 -0.007190 33O 3pz -0.619071 0.308681 0.683589 -0.462219 -0.487121 0.565723 33O 3px -0.662501 -0.395938 0.798761 0.292702 -0.326289 -0.722340 33O 3py -0.665465 -0.071201 0.956236 0.356131 0.038396 0.482392 33O 1dz2 -0.005466 0.002815 0.009195 -0.000560 -0.001571 -0.002405 33O 1dxz 0.002437 -0.002027 -0.001922 -0.000343 -0.001546 0.002622 33O 1dyz -0.007371 0.002266 0.008936 -0.000350 -0.006884 -0.001347 33O 1dx2y2 0.000150 -0.001457 -0.003255 0.000683 0.001434 0.000728 33O 1dxy 0.000932 -0.002915 0.000725 0.000068 0.003303 0.001716 33O 2dz2 -0.062500 0.018948 0.003161 -0.008032 -0.030209 -0.093807 33O 2dxz -0.000144 -0.009799 0.053110 -0.040949 -0.044252 -0.064069 33O 2dyz -0.095278 -0.009425 0.025772 0.068831 0.014368 -0.071106 33O 2dx2y2 0.012116 0.010035 -0.059092 -0.051921 -0.016552 -0.008166 33O 2dxy -0.005190 -0.015600 0.017327 -0.027366 0.020591 -0.037788 33O 1f0 0.002441 -0.002302 0.002894 0.000381 -0.000144 0.000801 33O 1f+1 -0.000820 0.000403 0.005478 -0.003177 -0.003284 -0.003336 33O 1f-1 0.002807 0.001169 0.002260 -0.003790 -0.002364 0.002833 33O 1f+2 -0.003931 0.003182 -0.008028 0.002221 0.003656 0.001958 33O 1f-2 -0.001705 0.000762 0.004225 0.003078 -0.000885 0.002235 33O 1f+3 -0.001723 0.003014 -0.001684 0.000414 0.001419 0.001944 33O 1f-3 0.001975 0.001154 0.001855 0.000224 -0.000630 0.000868 34O 1s 0.001339 0.000759 0.007216 -0.003329 0.006581 -0.004183 34O 2s 0.001799 0.000063 0.016151 -0.008113 0.014705 -0.010900 34O 3s 0.025611 0.042090 0.002145 -0.004409 0.017491 0.012422 34O 4s -0.238733 -0.328538 -0.576553 0.229831 -0.495918 0.131218 34O 5s 0.949652 -0.325226 3.878418 0.497762 0.681177 0.683279 34O 1pz -0.015352 -0.028653 0.008942 0.000634 0.007758 0.009903 34O 1px -0.002349 -0.047279 0.008220 -0.020541 -0.020525 -0.021864 34O 1py -0.006513 0.052387 -0.004546 -0.004141 -0.028753 0.041250 34O 2pz -0.011091 -0.063911 0.056473 0.016155 0.029667 0.084044 34O 2px 0.011228 -0.212854 0.248614 0.111960 -0.094043 0.095342 34O 2py -0.077646 0.159850 -0.157889 -0.109733 -0.019177 0.006522 34O 3pz -0.160843 -0.035936 -0.600987 0.160997 -0.383728 -0.333475 34O 3px 0.240155 0.416435 0.434127 0.846231 -0.363820 0.556991 34O 3py 0.211037 -0.103831 1.115640 -0.078260 0.333746 -0.527541 34O 1dz2 -0.001060 -0.000918 0.003419 0.000779 -0.000857 0.001832 34O 1dxz 0.000548 0.003919 -0.006318 -0.000009 0.000245 -0.002294 34O 1dyz 0.001582 -0.000745 0.007085 -0.001763 0.002011 0.000276 34O 1dx2y2 -0.000190 -0.000844 0.002279 -0.002565 0.004230 -0.000055 34O 1dxy 0.005251 -0.005866 0.006498 -0.000146 0.003338 0.002876 34O 2dz2 0.015226 -0.014651 -0.006241 0.039815 -0.014242 -0.062289 34O 2dxz 0.027520 0.000948 -0.014040 -0.029916 -0.009666 -0.045440 34O 2dyz 0.013811 0.013760 0.022870 0.034676 -0.021920 0.114558 34O 2dx2y2 0.043360 0.024644 0.062352 0.063811 -0.034490 -0.011335 34O 2dxy 0.036674 -0.003748 -0.009435 0.058412 0.018027 0.002056 34O 1f0 -0.001210 0.001883 0.002656 -0.000473 0.000801 -0.003498 34O 1f+1 -0.002898 -0.001875 -0.005432 -0.000537 0.000587 -0.001493 34O 1f-1 0.001707 -0.000401 0.001895 0.000198 0.000745 -0.000762 34O 1f+2 0.001367 -0.004513 0.001718 -0.003426 0.002091 0.001436 34O 1f-2 -0.000669 -0.001449 0.001466 -0.003646 0.001357 -0.001839 34O 1f+3 0.000937 -0.003082 -0.005630 0.003553 -0.001282 -0.004017 34O 1f-3 -0.001578 -0.002590 0.005506 0.001182 0.000859 -0.000131 35O 1s 0.006231 0.002328 -0.000375 -0.000249 -0.004890 -0.002514 35O 2s 0.011776 0.003513 -0.001212 -0.000030 -0.011389 -0.004156 35O 3s 0.043285 0.045324 0.022089 -0.002114 -0.003863 -0.059706 35O 4s -0.499662 -0.436100 0.087190 0.015855 0.223121 0.445744 35O 5s 2.692006 0.062343 -3.469845 -0.701701 0.313093 0.963565 35O 1pz 0.030833 -0.042338 0.025350 0.010441 -0.029943 0.010333 35O 1px 0.047342 -0.033861 -0.024507 -0.002636 0.023830 0.015200 35O 1py 0.041574 -0.038533 -0.004028 -0.021469 -0.034251 -0.013428 35O 2pz 0.217451 -0.121833 -0.108707 -0.036642 -0.036493 0.132815 35O 2px 0.157732 -0.166563 -0.315512 -0.051779 0.115473 0.281690 35O 2py 0.213609 -0.138741 -0.189642 -0.126797 0.020876 0.120707 35O 3pz -0.894042 -0.145603 0.737577 -0.212164 0.219944 0.157741 35O 3px 0.559887 0.304516 -0.971172 -0.518924 0.548459 0.878513 35O 3py -0.361382 0.118686 -0.096261 0.194615 -0.077108 0.791159 35O 1dz2 0.003338 -0.000568 0.000478 -0.002078 0.000554 0.004995 35O 1dxz 0.000056 0.005580 0.004594 0.003137 -0.001786 -0.003689 35O 1dyz 0.001311 0.002128 0.007302 -0.000443 -0.001565 0.001908 35O 1dx2y2 -0.003398 -0.000863 -0.000779 0.000162 -0.004223 -0.002852 35O 1dxy -0.004341 0.002198 0.008302 0.002552 0.001421 -0.003830 35O 2dz2 -0.013044 -0.020778 0.100144 0.005609 -0.004176 -0.163349 35O 2dxz -0.005028 0.005484 -0.033742 -0.054604 0.032781 0.002658 35O 2dyz -0.064340 -0.000970 0.042849 0.082530 -0.042647 -0.063025 35O 2dx2y2 -0.014371 0.011721 -0.057552 -0.038773 0.027906 0.051370 35O 2dxy -0.049035 0.007892 -0.047281 -0.011739 0.057042 0.065197 35O 1f0 -0.000950 0.002476 0.001562 -0.001811 0.001606 -0.001250 35O 1f+1 0.005775 -0.002083 0.004504 0.001429 -0.002464 -0.003938 35O 1f-1 0.003637 0.000533 0.004232 -0.001727 -0.001266 0.003298 35O 1f+2 -0.003413 -0.003148 -0.001480 0.002306 -0.001920 0.000070 35O 1f-2 0.003568 -0.001386 -0.001419 -0.000752 -0.000627 0.003191 35O 1f+3 0.002469 -0.003731 0.002707 -0.003259 -0.002048 -0.004370 35O 1f-3 0.004556 -0.002194 0.007675 0.002314 -0.001318 -0.006233 300 301 302 303 304 305 1.35050 1.38227 1.38729 1.40731 1.42201 1.42746 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s -0.000324 0.000208 -0.000369 -0.000604 -0.000849 0.000114 0Rh 2s 0.001762 -0.000540 0.001135 0.001144 0.004854 -0.000290 0Rh 3s -0.000817 0.000885 -0.001464 -0.002834 -0.001993 0.000491 0Rh 4s -0.008464 0.002453 -0.005239 -0.005029 -0.023387 0.001349 0Rh 5s 0.012289 0.000296 0.001629 -0.005760 0.033954 -0.000463 0Rh 6s -0.000637 -0.017314 0.026589 0.057623 0.002835 -0.006147 0Rh 7s -0.011816 0.178635 -0.070951 -0.682625 -0.241469 0.010923 0Rh 8s 0.010834 0.128544 0.045501 -0.952268 0.115855 -0.009732 0Rh 1pz 0.005666 -0.009747 0.029201 -0.010398 0.007537 -0.004413 0Rh 1px 0.003424 -0.015429 0.001832 0.031261 0.007758 -0.000533 0Rh 1py 0.001094 0.026243 0.012667 0.011502 -0.014117 -0.002244 0Rh 2pz -0.019237 0.032543 -0.097736 0.034897 -0.024825 0.015133 0Rh 2px -0.011494 0.051807 -0.006022 -0.105601 -0.025793 0.001862 0Rh 2py -0.003641 -0.087851 -0.042347 -0.038725 0.046996 0.007534 0Rh 3pz 0.003847 0.004105 -0.006809 0.000300 -0.010006 -0.007098 0Rh 3px -0.000019 -0.000327 -0.003153 0.014557 -0.005189 -0.001741 0Rh 3py -0.000685 -0.006427 -0.004163 0.003744 0.008807 0.000354 0Rh 4pz 0.102006 -0.205191 0.591721 -0.201459 0.180592 -0.054773 0Rh 4px 0.066937 -0.295742 0.049711 0.542241 0.166000 -0.002143 0Rh 4py 0.023995 0.536392 0.262024 0.196755 -0.304330 -0.046538 0Rh 5pz -0.213949 0.319422 -0.914888 0.309682 -0.277193 0.068296 0Rh 5px -0.114059 0.449238 -0.085859 -0.796799 -0.236914 -0.002392 0Rh 5py -0.042588 -0.838191 -0.408138 -0.249546 0.459694 0.073739 0Rh 6pz 2.282818 0.184226 0.018166 -0.842889 -0.520065 0.004395 0Rh 6px 0.669874 -0.388775 -0.215530 1.923446 -0.404554 0.044043 0Rh 6py 0.295624 -0.080962 -0.042322 -0.684144 0.954811 0.077272 0Rh 1dz2 -0.025509 -0.006529 0.021994 -0.005298 0.003838 0.031934 0Rh 1dxz 0.022847 0.010654 -0.028988 0.001030 -0.003883 -0.017255 0Rh 1dyz -0.035384 0.013372 0.004802 0.000826 -0.016094 0.046320 0Rh 1dx2y2 -0.003447 0.015478 -0.004752 0.006738 -0.015525 0.001434 0Rh 1dxy -0.011724 -0.030008 -0.015460 0.001865 0.001045 0.021569 0Rh 2dz2 0.003053 0.001031 -0.003530 0.001305 -0.000615 -0.005105 0Rh 2dxz -0.001276 -0.001933 0.004476 0.000596 0.001524 0.001632 0Rh 2dyz 0.007318 -0.002013 -0.000599 -0.000119 0.005505 -0.009067 0Rh 2dx2y2 0.001577 -0.002030 0.001031 -0.002827 0.003614 -0.000756 0Rh 2dxy 0.002729 0.004826 0.002676 -0.000179 -0.001536 -0.003816 0Rh 3dz2 0.043696 0.010304 -0.034558 0.006405 -0.006137 -0.050499 0Rh 3dxz -0.045706 -0.015802 0.046410 -0.004894 0.002202 0.032405 0Rh 3dyz 0.047318 -0.021622 -0.008297 -0.001330 0.012811 -0.065971 0Rh 3dx2y2 0.001010 -0.026251 0.006312 -0.003171 0.019730 -0.000062 0Rh 3dxy 0.014391 0.047230 0.023535 -0.003557 0.004175 -0.032647 0Rh 4dz2 0.072532 0.020044 -0.066866 0.022213 -0.011624 -0.101098 0Rh 4dxz -0.041109 -0.035536 0.085438 0.007053 0.025917 0.036558 0Rh 4dyz 0.146663 -0.038521 -0.012398 -0.003684 0.092817 -0.173026 0Rh 4dx2y2 0.026178 -0.041468 0.017516 -0.044236 0.065504 -0.012888 0Rh 4dxy 0.053406 0.091245 0.049257 -0.001590 -0.022205 -0.073194 0Rh 5dz2 -0.296176 -0.061640 0.181245 -0.042024 0.024233 0.347154 0Rh 5dxz 0.106855 0.097545 -0.236764 0.004706 -0.098078 -0.086548 0Rh 5dyz -0.679419 0.098792 0.040299 0.041996 -0.359762 0.663429 0Rh 5dx2y2 -0.123342 0.117963 -0.035778 0.106365 -0.232440 0.068205 0Rh 5dxy -0.259407 -0.242580 -0.129577 -0.050258 0.062779 0.258325 0Rh 1f0 0.018349 -0.023653 -0.008662 0.065365 -0.016024 0.021042 0Rh 1f+1 0.002065 0.007410 -0.015962 -0.012285 -0.000243 0.005029 0Rh 1f-1 -0.043472 -0.018274 -0.032676 0.054057 0.009675 -0.008003 0Rh 1f+2 0.035950 -0.013345 0.038282 -0.013262 -0.032237 0.021294 0Rh 1f-2 -0.005635 -0.032265 -0.007298 0.025307 -0.041032 -0.011868 0Rh 1f+3 -0.021162 0.034792 -0.002297 -0.051805 0.031938 -0.009906 0Rh 1f-3 0.007064 -0.014290 -0.004189 -0.032400 -0.017990 0.012290 1Rh 1s -0.000327 -0.000209 0.000354 0.000613 -0.000884 -0.000142 1Rh 2s 0.001768 0.000545 -0.001062 -0.001206 0.004990 0.000398 1Rh 3s -0.000831 -0.000887 0.001421 0.002852 -0.002115 -0.000586 1Rh 4s -0.008487 -0.002477 0.004889 0.005333 -0.024028 -0.001857 1Rh 5s 0.012268 -0.000249 -0.001188 0.005252 0.034466 0.000915 1Rh 6s -0.000412 0.017242 -0.026275 -0.057318 0.004836 0.007480 1Rh 7s -0.017153 -0.180914 0.070829 0.681793 -0.238385 -0.024586 1Rh 8s 0.014132 -0.126829 -0.046881 0.950115 0.145410 0.013223 1Rh 1pz -0.005962 -0.009809 0.029145 -0.009954 -0.007504 -0.005085 1Rh 1px -0.003666 -0.015467 0.001781 0.031468 -0.006830 -0.000786 1Rh 1py -0.001806 0.026305 0.012578 0.011285 0.014510 -0.002051 1Rh 2pz 0.020233 0.032755 -0.097542 0.033409 0.024709 0.017355 1Rh 2px 0.012304 0.051940 -0.005851 -0.106290 0.022670 0.002719 1Rh 2py 0.006036 -0.088063 -0.042053 -0.038000 -0.048321 0.006879 1Rh 3pz -0.003838 0.004029 -0.006917 0.000244 0.010179 -0.006375 1Rh 3px -0.000025 -0.000452 -0.003122 0.014375 0.005307 -0.001894 1Rh 3py 0.000652 -0.006406 -0.004046 0.003818 -0.008721 0.000457 1Rh 4pz -0.108073 -0.206185 0.590985 -0.192625 -0.180831 -0.070253 1Rh 4px -0.071245 -0.296020 0.048577 0.546954 -0.148566 -0.006434 1Rh 4py -0.038098 0.537551 0.259873 0.192364 0.311548 -0.043059 1Rh 5pz 0.225081 0.321376 -0.913513 0.295788 0.279006 0.091529 1Rh 5px 0.119976 0.449468 -0.083790 -0.804426 0.209432 0.003598 1Rh 5py 0.067124 -0.840122 -0.404559 -0.243354 -0.470668 0.068182 1Rh 6pz -2.333837 0.170169 0.001515 -0.838182 0.468533 0.056715 1Rh 6px -0.676656 -0.389846 -0.224643 1.928151 0.501782 0.065507 1Rh 6py -0.389466 -0.078146 -0.052167 -0.662318 -0.938164 0.079291 1Rh 1dz2 -0.025754 0.006346 -0.022232 0.005701 0.004648 -0.031600 1Rh 1dxz 0.023174 -0.010413 0.029101 -0.001226 -0.004199 0.016618 1Rh 1dyz -0.035920 -0.013620 -0.004917 -0.000063 -0.014972 -0.046513 1Rh 1dx2y2 -0.003391 -0.015505 0.004830 -0.006669 -0.015550 -0.001437 1Rh 1dxy -0.011351 0.029766 0.015433 -0.001740 0.001223 -0.021958 1Rh 2dz2 0.003116 -0.001020 0.003563 -0.001334 -0.000756 0.005036 1Rh 2dxz -0.001289 0.001912 -0.004468 -0.000652 0.001533 -0.001456 1Rh 2dyz 0.007388 0.002047 0.000592 -0.000046 0.005256 0.009177 1Rh 2dx2y2 0.001555 0.002050 -0.001040 0.002772 0.003625 0.000822 1Rh 2dxy 0.002651 -0.004810 -0.002655 0.000163 -0.001607 0.003876 1Rh 3dz2 0.043973 -0.009940 0.034952 -0.007185 -0.007369 0.050038 1Rh 3dxz -0.046386 0.015348 -0.046698 0.005581 0.002880 -0.031715 1Rh 3dyz 0.048215 0.022029 0.008581 0.000320 0.011343 0.065938 1Rh 3dx2y2 0.000987 0.026225 -0.006448 0.003251 0.019745 -0.000212 1Rh 3dxy 0.013886 -0.046758 -0.023565 0.003343 0.004083 0.033274 1Rh 4dz2 0.073630 -0.019678 0.067587 -0.023075 -0.014270 0.099783 1Rh 4dxz -0.041615 0.034987 -0.085446 -0.007628 0.026404 -0.033484 1Rh 4dyz 0.148205 0.039329 0.012534 0.000521 0.088249 0.174737 1Rh 4dx2y2 0.025744 0.041795 -0.017750 0.043404 0.065486 0.013763 1Rh 4dxy 0.051903 -0.090733 -0.048914 0.001225 -0.023484 0.074427 1Rh 5dz2 -0.299673 0.059986 -0.184008 0.045696 0.031105 -0.342712 1Rh 5dxz 0.108471 -0.095544 0.236633 -0.002484 -0.101655 0.075966 1Rh 5dyz -0.684465 -0.102989 -0.042180 -0.028776 -0.343109 -0.670203 1Rh 5dx2y2 -0.121479 -0.119632 0.036827 -0.103048 -0.227625 -0.071322 1Rh 5dxy -0.253107 0.240250 0.127827 0.052411 0.070155 -0.263161 1Rh 1f0 -0.017031 -0.024026 -0.008847 0.065448 0.016171 0.020676 1Rh 1f+1 -0.001198 0.007284 -0.016103 -0.011830 -0.000417 0.004339 1Rh 1f-1 0.047802 -0.017880 -0.032098 0.053380 -0.008245 -0.010294 1Rh 1f+2 -0.035990 -0.013709 0.037876 -0.013269 0.030812 0.022972 1Rh 1f-2 0.008344 -0.032385 -0.007496 0.024493 0.041412 -0.011540 1Rh 1f+3 0.021180 0.035089 -0.002136 -0.051407 -0.032264 -0.010989 1Rh 1f-3 -0.006622 -0.014187 -0.004209 -0.032461 0.016880 0.012786 2C 1s 0.002938 -0.001667 -0.024479 -0.012651 0.007338 0.013465 2C 2s 0.006528 -0.005570 -0.082308 -0.042522 0.023379 0.043962 2C 3s 0.005113 0.114978 1.116447 0.399323 -0.272621 -0.405886 2C 4s -0.265655 -0.509089 -3.878502 -1.027683 0.914352 0.982792 2C 5s -2.513814 0.432139 2.720425 0.221433 -0.083598 -0.582210 2C 1pz -0.076518 0.025566 -0.001095 0.022083 0.020756 -0.107900 2C 1px 0.037633 0.036112 0.068020 -0.011900 -0.031819 0.088345 2C 1py -0.002796 -0.062894 0.008836 0.011260 -0.009553 0.075193 2C 2pz 0.029912 -0.256578 -1.263673 -0.200352 0.136391 0.315149 2C 2px -0.124587 -0.108920 -0.221040 0.102170 0.033936 -0.131991 2C 2py -0.105370 0.030484 -0.912982 -0.140360 0.202415 -0.140788 2C 3pz -0.596149 0.051339 -0.151541 -0.280155 0.148892 0.031182 2C 3px -0.291533 0.157425 0.571753 -0.091717 -0.179525 0.058954 2C 3py -0.394449 -0.107674 -0.150093 -0.053979 0.125893 0.251563 2C 1dz2 0.007828 -0.003366 0.004492 0.004988 -0.000297 0.007815 2C 1dxz -0.000688 -0.000567 -0.000956 0.002565 0.000151 -0.019222 2C 1dyz 0.006591 0.002615 0.004491 0.007205 -0.003014 -0.005325 2C 1dx2y2 -0.005529 -0.002898 -0.004838 -0.004111 0.004200 -0.001156 2C 1dxy -0.003743 -0.002777 -0.001995 0.000673 -0.000608 -0.010528 2C 2dz2 -0.072749 0.023227 -0.431856 -0.103152 0.071342 -0.099345 2C 2dxz 0.177137 0.091848 -0.308688 -0.212180 0.057074 0.239916 2C 2dyz -0.070567 -0.125746 -0.519916 -0.007697 0.048663 0.005406 2C 2dx2y2 -0.132381 0.117998 0.352314 0.080222 -0.041677 -0.220648 2C 2dxy 0.136822 -0.070375 -0.023698 -0.034862 -0.076611 0.247965 2C 1f0 -0.014719 -0.000275 -0.006279 0.007856 0.008196 -0.018916 2C 1f+1 0.003684 -0.007837 0.003079 0.016577 -0.008430 0.000753 2C 1f-1 0.006063 -0.010134 -0.048840 0.010813 0.005780 -0.006894 2C 1f+2 0.009545 0.004201 0.017660 -0.005864 -0.003623 0.010931 2C 1f-2 0.005145 -0.002927 -0.032812 0.000017 0.009935 0.008589 2C 1f+3 0.003603 0.005340 0.000194 0.007339 -0.003055 -0.009611 2C 1f-3 -0.007026 0.001883 0.015647 0.004817 -0.008467 -0.017111 3C 1s 0.001742 0.023081 -0.002868 0.015893 0.002345 0.018040 3C 2s 0.008760 0.077796 -0.009649 0.052402 0.009006 0.057150 3C 3s -0.170524 -1.070211 0.154522 -0.557109 -0.031411 -0.543668 3C 4s 0.783686 3.761210 -0.610968 1.625323 -0.205951 1.283073 3C 5s 1.886591 -2.425420 0.596234 -2.048801 0.122425 -1.463881 3C 1pz 0.014847 0.025799 -0.060191 0.029416 -0.067351 0.092721 3C 1px 0.038340 -0.034052 -0.027825 -0.045358 0.260551 -0.120203 3C 1py -0.062676 0.025578 -0.040198 -0.044254 0.096570 -0.052497 3C 2pz 0.128693 0.853480 0.014631 0.085388 -0.000169 -0.224242 3C 2px 0.075832 0.443945 -0.008295 0.214078 -0.494933 0.180839 3C 2py -0.090968 -1.266220 0.298723 -0.116989 -0.125440 0.175261 3C 3pz 0.295511 0.476946 -0.158279 0.365804 -0.155248 0.076365 3C 3px 0.420777 -0.275936 0.012190 -0.183435 0.427338 -0.153747 3C 3py -0.596854 0.009598 -0.102060 0.038184 0.060990 -0.202640 3C 1dz2 0.000458 -0.002416 0.004612 0.003043 0.011785 -0.008812 3C 1dxz -0.003189 -0.002281 0.002195 -0.004986 -0.008059 -0.000374 3C 1dyz 0.007560 0.004671 -0.001134 0.004117 -0.008055 0.011683 3C 1dx2y2 0.004481 0.003164 0.001367 0.012998 -0.016897 0.014033 3C 1dxy 0.008934 0.000455 -0.003501 0.005948 0.032390 -0.011214 3C 2dz2 -0.005955 -0.010150 -0.020200 0.055574 -0.167852 0.070076 3C 2dxz 0.010640 0.333123 -0.151965 -0.039944 0.449832 -0.241266 3C 2dyz 0.005194 -0.373731 0.141992 -0.168188 0.221083 -0.139449 3C 2dx2y2 -0.016247 -0.535355 -0.048474 -0.133911 0.205177 -0.047112 3C 2dxy -0.112438 -0.388842 0.039613 -0.041096 -0.275030 0.198418 3C 1f0 -0.000307 -0.034040 -0.001372 0.010537 0.012408 0.017843 3C 1f+1 0.002428 -0.012566 0.004359 0.000533 -0.021268 0.018661 3C 1f-1 0.009972 0.007607 -0.001643 0.017560 -0.004810 0.006127 3C 1f+2 -0.003062 -0.044312 0.007526 -0.008551 0.019847 -0.017894 3C 1f-2 -0.006629 -0.023804 0.005196 -0.004114 0.003426 -0.007676 3C 1f+3 -0.003898 0.015347 -0.010034 -0.008581 0.015351 -0.015275 3C 1f-3 0.004734 0.006285 -0.000666 0.004162 0.028567 -0.005892 4C 1s -0.006863 0.003093 0.000772 -0.020509 0.001512 0.020423 4C 2s -0.021165 0.009740 0.001404 -0.065418 0.005352 0.064374 4C 3s 0.140132 -0.113628 0.069566 0.893828 -0.198538 -0.803739 4C 4s -0.518482 0.402988 0.246758 -2.701129 0.735170 2.203541 4C 5s 0.129954 -0.288181 -1.051441 -1.159947 1.042924 0.596266 4C 1pz -0.048868 -0.034462 -0.058824 0.078256 0.035867 -0.074811 4C 1px 0.026254 -0.009281 0.002101 0.065518 0.033184 0.175706 4C 1py -0.014963 0.024403 -0.048889 -0.169436 -0.020559 0.026989 4C 2pz -0.190405 -0.151621 -1.663551 -0.829346 0.448497 0.748570 4C 2px 0.534901 -0.067927 -0.385333 -0.095344 -0.256566 -0.415294 4C 2py 0.079097 -0.116026 -1.108483 -0.258887 0.232100 0.285433 4C 3pz -2.733691 0.012755 0.633713 -1.050442 0.869041 0.809888 4C 3px 0.096764 -0.196197 -0.249618 0.207027 0.254319 -0.212134 4C 3py -1.651573 0.185192 0.413226 -1.077198 0.561490 0.254509 4C 1dz2 0.004573 0.011624 -0.004154 0.002486 0.001117 -0.003084 4C 1dxz 0.009224 0.004411 -0.002201 0.008518 -0.002126 -0.014488 4C 1dyz 0.014956 -0.008362 -0.009028 -0.001002 0.004412 0.007918 4C 1dx2y2 -0.001046 0.010559 -0.007960 -0.019390 0.002023 0.008451 4C 1dxy -0.004669 0.000372 -0.007022 -0.008022 0.005171 -0.000003 4C 2dz2 -0.198251 0.206899 0.843847 0.187835 -0.129744 -0.420361 4C 2dxz 0.359759 0.147001 0.860011 0.317218 -0.459253 0.069883 4C 2dyz 0.132928 0.038950 0.670743 0.054698 -0.076034 0.007154 4C 2dx2y2 0.121473 -0.063117 -1.166286 -0.566498 0.374998 0.423299 4C 2dxy 0.208304 0.004450 -0.245294 -0.216199 0.113803 0.415894 4C 1f0 0.002176 -0.007532 0.004487 0.033520 -0.006358 -0.014242 4C 1f+1 -0.003774 -0.004526 0.022910 0.046762 -0.017689 -0.040881 4C 1f-1 -0.007942 -0.006985 -0.054607 -0.011458 0.006882 0.016894 4C 1f+2 -0.008374 0.003103 0.003938 -0.043101 0.018534 0.029706 4C 1f-2 0.000734 -0.001489 -0.016628 -0.011773 -0.002372 -0.005440 4C 1f+3 -0.017218 0.003162 -0.010062 -0.017925 0.009833 0.008187 4C 1f-3 -0.015039 0.000311 0.026447 0.035855 -0.010740 -0.031212 5C 1s 0.009007 -0.002073 0.000693 0.022846 0.010651 0.022974 5C 2s 0.028284 -0.005447 0.002195 0.071618 0.034220 0.071040 5C 3s -0.271246 -0.024334 -0.014260 -0.935662 -0.348172 -0.837249 5C 4s 0.852579 -0.387124 0.118435 2.754975 0.969844 2.432557 5C 5s 0.014059 0.905936 -0.355014 1.705076 -1.285123 0.543739 5C 1pz 0.022503 0.070006 0.024190 -0.163750 -0.068573 0.164797 5C 1px 0.028962 0.020305 -0.029482 -0.032092 0.364277 -0.144815 5C 1py -0.057803 -0.038591 0.023921 -0.149700 0.110927 0.076358 5C 2pz 0.025647 0.922995 -0.156146 0.683191 0.392530 -0.090552 5C 2px 0.436586 0.614829 -0.041167 0.505192 -1.250543 0.602243 5C 2py -0.153520 -1.669019 0.263046 -0.616536 -0.366496 -0.466524 5C 3pz 1.488395 -0.477282 0.228111 -0.418498 0.145795 0.301333 5C 3px 1.100892 -0.026967 0.066355 0.637998 -1.460701 0.620539 5C 3py -2.556302 0.491348 0.006005 -0.634530 0.343891 -0.174826 5C 1dz2 -0.007848 -0.009869 -0.011582 -0.013679 0.004523 -0.009174 5C 1dxz 0.006343 -0.003460 -0.004833 -0.011890 -0.009176 -0.003518 5C 1dyz 0.009590 -0.007607 0.009085 -0.005356 0.001695 -0.003221 5C 1dx2y2 0.011286 -0.002161 -0.007794 0.016592 0.004333 0.018120 5C 1dxy 0.014358 -0.007063 -0.001070 0.004605 0.010480 -0.002502 5C 2dz2 -0.178696 -0.369774 -0.024564 -0.238769 -0.115551 -0.023345 5C 2dxz 0.157767 -0.856381 0.068917 -0.357395 0.310459 -0.288197 5C 2dyz 0.175453 0.350826 -0.031010 -0.062372 0.268947 -0.224952 5C 2dx2y2 0.296902 1.336379 -0.311525 0.575799 0.188061 0.004986 5C 2dxy 0.033922 0.709762 -0.054819 0.246038 -0.595503 0.362340 5C 1f0 -0.006447 -0.046981 0.005518 -0.029221 -0.023948 -0.017764 5C 1f+1 -0.009973 -0.021276 0.004639 -0.047545 0.006624 -0.028103 5C 1f-1 0.003338 -0.006896 -0.003075 0.000104 -0.012964 0.004257 5C 1f+2 -0.008641 -0.034707 0.007532 -0.016657 -0.000197 -0.002458 5C 1f-2 -0.008192 -0.008259 -0.000869 0.027397 0.032112 0.014594 5C 1f+3 -0.013414 0.006460 -0.000855 -0.047305 0.007179 -0.025527 5C 1f-3 0.004122 0.016167 0.002016 0.036286 0.005640 0.038649 6C 1s 0.008686 0.002107 -0.000711 -0.022925 0.010785 -0.022793 6C 2s 0.027281 0.005565 -0.002231 -0.071894 0.034661 -0.070425 6C 3s -0.258231 0.022450 0.013276 0.937393 -0.353708 0.830085 6C 4s 0.809975 0.397054 -0.114678 -2.759220 0.986230 -2.412751 6C 5s -0.038985 -0.900529 0.369244 -1.677905 -1.287393 -0.583945 6C 1pz -0.029148 0.069843 0.024563 -0.167575 0.058036 0.168639 6C 1px -0.029659 0.019085 -0.028065 -0.024210 -0.359185 -0.154169 6C 1py 0.050963 -0.038273 0.025736 -0.149511 -0.115242 0.074976 6C 2pz -0.018742 0.923334 -0.156644 0.688522 -0.377534 -0.101725 6C 2px -0.430914 0.607972 -0.051141 0.487310 1.238362 0.621719 6C 2py 0.156450 -1.666548 0.263542 -0.615806 0.374411 -0.457105 6C 3pz -1.498917 -0.498832 0.205234 -0.396453 -0.171092 0.297340 6C 3px -1.098567 -0.033372 0.047320 0.625083 1.442190 0.661155 6C 3py 2.513352 0.529090 0.039545 -0.658932 -0.335958 -0.184751 6C 1dz2 -0.007935 0.009844 0.011527 0.013635 0.004554 0.009497 6C 1dxz 0.006516 0.003443 0.004996 0.011865 -0.009062 0.003203 6C 1dyz 0.009654 0.007669 -0.009106 0.005247 0.001661 0.003153 6C 1dx2y2 0.010753 0.002226 0.007873 -0.016690 0.004609 -0.017978 6C 1dxy 0.014206 0.007221 0.001112 -0.005018 0.010356 0.002614 6C 2dz2 -0.179376 0.365986 0.021029 0.243857 -0.111045 0.017851 6C 2dxz 0.156197 0.858803 -0.071484 0.345349 0.299471 0.295709 6C 2dyz 0.177832 -0.347139 0.030337 0.053555 0.259739 0.236168 6C 2dx2y2 0.290270 -1.327680 0.317666 -0.583535 0.178804 0.007915 6C 2dxy 0.037071 -0.713635 0.057896 -0.227763 -0.576007 -0.385828 6C 1f0 0.006080 -0.047002 0.005552 -0.029396 0.024157 -0.017294 6C 1f+1 0.009165 -0.021113 0.004879 -0.047273 -0.006560 -0.027898 6C 1f-1 -0.003061 -0.006950 -0.003191 0.000001 0.012779 0.004526 6C 1f+2 0.008968 -0.034661 0.007666 -0.016682 -0.000030 -0.002233 6C 1f-2 0.008777 -0.008119 -0.000751 0.027701 -0.031955 0.013933 6C 1f+3 0.012820 0.006671 -0.000639 -0.047236 -0.007356 -0.025569 6C 1f-3 -0.003507 0.016120 0.001941 0.035957 -0.006414 0.038596 7C 1s -0.006489 -0.003109 -0.000757 0.020537 0.002625 -0.020474 7C 2s -0.019903 -0.009772 -0.001351 0.065479 0.008877 -0.064487 7C 3s 0.118841 0.112586 -0.070030 -0.890038 -0.244047 0.801998 7C 4s -0.435527 -0.398320 -0.250927 2.689781 0.862510 -2.193647 7C 5s 0.193998 0.277604 1.043583 1.151858 1.098772 -0.584181 7C 1pz 0.047837 -0.033512 -0.057348 0.074548 -0.036760 -0.068460 7C 1px -0.024660 -0.008371 0.002290 0.067992 -0.034903 0.166254 7C 1py 0.008775 0.024383 -0.050796 -0.165120 0.022055 0.018725 7C 2pz 0.186872 -0.152759 -1.659674 -0.817114 -0.486490 0.714893 7C 2px -0.546087 -0.074692 -0.388021 -0.092189 0.255556 -0.363833 7C 2py -0.081431 -0.119521 -1.112695 -0.261511 -0.261753 0.299920 7C 3pz 2.662742 0.043511 0.676664 -1.055290 -0.908553 0.759074 7C 3px -0.108425 -0.195232 -0.251654 0.201759 -0.262153 -0.176445 7C 3py 1.586002 0.202027 0.425904 -1.082537 -0.584365 0.233073 7C 1dz2 0.004308 -0.011689 0.004122 -0.002478 0.001034 0.002964 7C 1dxz 0.008895 -0.004335 0.002218 -0.008490 -0.002617 0.014126 7C 1dyz 0.014541 0.008422 0.009153 0.000640 0.004688 -0.007688 7C 1dx2y2 -0.000267 -0.010488 0.007908 0.019432 0.002887 -0.008475 7C 1dxy -0.004416 -0.000445 0.007116 0.008122 0.005515 -0.000126 7C 2dz2 -0.197391 -0.207439 -0.840885 -0.177043 -0.142798 0.408135 7C 2dxz 0.357275 -0.144267 -0.852853 -0.323241 -0.479021 -0.070034 7C 2dyz 0.132068 -0.038795 -0.671732 -0.055552 -0.078878 -0.009606 7C 2dx2y2 0.131609 0.065212 1.169125 0.556994 0.404628 -0.411413 7C 2dxy 0.216565 -0.004694 0.246915 0.204455 0.123360 -0.407478 7C 1f0 -0.001443 -0.007391 0.004887 0.033452 0.007635 -0.014075 7C 1f+1 0.005607 -0.004379 0.023175 0.046199 0.019842 -0.040627 7C 1f-1 0.008472 -0.007025 -0.054657 -0.011349 -0.007786 0.016184 7C 1f+2 0.007404 0.003144 0.004374 -0.042689 -0.020227 0.028512 7C 1f-2 -0.000789 -0.001526 -0.016517 -0.011754 0.002021 -0.004770 7C 1f+3 0.017305 0.003334 -0.009955 -0.018205 -0.010572 0.007419 7C 1f-3 0.016426 0.000575 0.026457 0.035376 0.012829 -0.031995 8C 1s 0.001770 -0.023049 0.002941 -0.015788 0.002387 -0.018028 8C 2s 0.008802 -0.077670 0.009902 -0.052116 0.009171 -0.057047 8C 3s -0.170370 1.067629 -0.157864 0.554010 -0.032144 0.543857 8C 4s 0.778949 -3.748950 0.623974 -1.615928 -0.207092 -1.289354 8C 5s 1.909829 2.451797 -0.572453 2.007191 0.150893 1.476634 8C 1pz -0.012122 0.025379 -0.060409 0.026836 0.064501 0.094116 8C 1px -0.036747 -0.036488 -0.026577 -0.039733 -0.255940 -0.127430 8C 1py 0.062459 0.025704 -0.039431 -0.043812 -0.097628 -0.056758 8C 2pz -0.138082 0.850118 0.011802 0.089640 0.004468 -0.225023 8C 2px -0.078836 0.443386 -0.011645 0.204818 0.490422 0.192982 8C 2py 0.090842 -1.265474 0.300097 -0.116818 0.128781 0.185516 8C 3pz -0.286074 0.470413 -0.161290 0.363691 0.155438 0.079335 8C 3px -0.416018 -0.292152 0.012634 -0.173193 -0.426768 -0.164862 8C 3py 0.601830 0.011380 -0.092927 0.030014 -0.053430 -0.204022 8C 1dz2 0.000448 0.002355 -0.004733 -0.003259 0.011408 0.009175 8C 1dxz -0.003099 0.002155 -0.002166 0.005164 -0.007902 0.000124 8C 1dyz 0.007418 -0.004574 0.001278 -0.003977 -0.007596 -0.011899 8C 1dx2y2 0.004202 -0.003248 -0.001342 -0.012553 -0.016620 -0.014607 8C 1dxy 0.008661 -0.000237 0.003442 -0.006748 0.031616 0.012050 8C 2dz2 -0.007964 0.009276 0.020987 -0.050750 -0.162264 -0.073639 8C 2dxz 0.006456 -0.331184 0.152340 0.029805 0.443277 0.255751 8C 2dyz 0.009620 0.375108 -0.140696 0.160639 0.218179 0.146766 8C 2dx2y2 -0.023488 0.535761 0.045171 0.128732 0.199261 0.050515 8C 2dxy -0.113859 0.386934 -0.039605 0.049224 -0.270553 -0.210187 8C 1f0 0.001039 -0.033901 -0.001193 0.010681 -0.012020 0.017981 8C 1f+1 -0.002437 -0.012645 0.004551 -0.000450 0.020635 0.018958 8C 1f-1 -0.009824 0.007334 -0.001749 0.017556 0.005187 0.006208 8C 1f+2 0.003106 -0.044062 0.007693 -0.007978 -0.019821 -0.018572 8C 1f-2 0.006849 -0.023913 0.005231 -0.004345 -0.003929 -0.008264 8C 1f+3 0.003997 0.015185 -0.009875 -0.008328 -0.014563 -0.015977 8C 1f-3 -0.004732 0.006068 -0.000744 0.004690 -0.028326 -0.007065 9C 1s 0.002802 0.001760 0.024557 0.012561 0.008246 -0.013458 9C 2s 0.006241 0.005849 0.082549 0.042247 0.026352 -0.043898 9C 3s 0.008828 -0.116648 -1.117822 -0.398140 -0.302035 0.403867 9C 4s -0.274166 0.508187 3.877274 1.028499 0.992186 -0.971232 9C 5s -2.466336 -0.451488 -2.756651 -0.223771 -0.139732 0.630319 9C 1pz 0.073886 0.026913 -0.001254 0.017114 -0.019974 -0.101834 9C 1px -0.037709 0.036625 0.067762 -0.010410 0.031219 0.083390 9C 1py 0.003765 -0.062979 0.010604 0.014348 0.010305 0.068599 9C 2pz -0.024668 -0.259195 -1.263163 -0.188895 -0.149909 0.294324 9C 2px 0.124194 -0.109476 -0.217095 0.100552 -0.027132 -0.124260 9C 2py 0.103607 0.032505 -0.912297 -0.145544 -0.208716 -0.131170 9C 3pz 0.574871 0.055653 -0.156313 -0.287008 -0.158515 0.029017 9C 3px 0.282425 0.161083 0.578857 -0.092649 0.186806 0.051689 9C 3py 0.400558 -0.101808 -0.128183 -0.049535 -0.130823 0.236665 9C 1dz2 0.007315 0.003383 -0.004554 -0.005398 -0.000659 -0.007153 9C 1dxz -0.000772 0.000607 0.000897 -0.002276 -0.000058 0.018312 9C 1dyz 0.006303 -0.002529 -0.004382 -0.007253 -0.003246 0.005077 9C 1dx2y2 -0.005376 0.002732 0.004659 0.004221 0.004287 0.001119 9C 1dxy -0.003879 0.002810 0.001990 -0.000495 -0.000605 0.010170 9C 2dz2 -0.068597 -0.022728 0.429224 0.104623 0.073945 0.095133 9C 2dxz 0.183488 -0.091506 0.310325 0.206411 0.065837 -0.233148 9C 2dyz -0.073385 0.123076 0.520694 0.010064 0.052219 -0.004607 9C 2dx2y2 -0.127160 -0.122778 -0.355140 -0.072895 -0.048854 0.213185 9C 2dxy 0.130926 0.071231 0.025345 0.026090 -0.073419 -0.230960 9C 1f0 0.014905 0.000185 -0.005400 0.006906 -0.007985 -0.017706 9C 1f+1 -0.002815 -0.007859 0.003150 0.016719 0.008812 0.000197 9C 1f-1 -0.005023 -0.010326 -0.048599 0.011047 -0.005488 -0.007257 9C 1f+2 -0.009988 0.004192 0.018434 -0.005293 0.003803 0.010545 9C 1f-2 -0.005042 -0.002757 -0.032517 -0.000024 -0.010121 0.008551 9C 1f+3 -0.003831 0.005322 -0.000149 0.007440 0.003451 -0.009102 9C 1f-3 0.006887 0.002122 0.015919 0.004708 0.009399 -0.016918 10H 1s -0.009258 0.002935 0.061577 0.022443 -0.009507 -0.009106 10H 2s 0.311118 0.061598 -0.102702 -0.242762 -0.017999 0.321885 10H 3s 0.080033 -0.167792 -0.874745 -0.155353 0.245981 0.154969 10H 1pz 0.028472 0.012075 -0.023592 -0.019976 0.002780 0.044087 10H 1px -0.027440 -0.012202 -0.053682 0.002393 0.023665 -0.021016 10H 1py -0.000801 -0.003770 -0.006819 -0.001552 0.000524 0.044142 11H 1s -0.001005 -0.003207 -0.007317 0.006484 0.015749 -0.015789 11H 2s -0.039436 -0.175380 0.405390 0.223288 -0.203334 -0.009936 11H 3s 0.038180 0.066843 -0.318320 -0.265511 0.051713 0.128738 11H 1pz 0.004371 -0.022831 0.054089 0.019434 -0.031340 0.001099 11H 1px 0.005611 -0.005829 0.027248 0.007912 -0.014550 -0.026595 11H 1py 0.006657 0.010705 -0.036035 -0.020417 0.006357 -0.017709 12H 1s -0.003210 -0.005870 0.018307 0.018663 -0.003060 -0.014964 12H 2s -0.202688 0.180940 0.195334 0.084301 0.024508 -0.446215 12H 3s 0.095793 -0.130811 -0.443192 -0.221752 0.063615 0.412784 12H 1pz 0.019883 -0.000471 -0.031728 -0.005520 0.000191 0.019069 12H 1px -0.009309 -0.004771 -0.013522 0.013048 0.014540 0.007848 12H 1py -0.020394 0.039371 0.042764 0.013367 -0.011510 -0.095060 13H 1s 0.008931 -0.060341 0.003237 0.000857 0.001442 -0.005404 13H 2s -0.020106 0.154474 -0.004585 -0.234555 0.589619 -0.536412 13H 3s -0.094888 0.749609 -0.162503 0.713344 -0.336477 0.585107 13H 1pz -0.010473 -0.016330 -0.002024 -0.048052 0.152604 -0.108867 13H 1px 0.005825 0.032411 -0.009877 0.030664 -0.029925 0.046765 13H 1py 0.003676 -0.041828 -0.002984 0.016143 -0.027920 0.047118 14H 1s -0.003859 -0.028768 -0.001621 0.001568 -0.020601 0.002995 14H 2s 0.023267 -0.160087 0.209354 0.082400 -0.546195 0.049265 14H 3s 0.165583 0.484391 -0.194800 0.407974 0.203381 0.299671 14H 1pz -0.005387 -0.038511 0.039606 -0.013039 -0.110792 0.021688 14H 1px -0.007098 -0.012312 0.022104 -0.013424 -0.044993 -0.030475 14H 1py 0.014943 -0.045560 0.004419 0.005321 -0.029021 0.018798 15H 1s 0.005894 0.014314 -0.002309 -0.010821 -0.023063 0.002752 15H 2s -0.099134 -0.459833 -0.136621 -0.091750 0.013127 -0.032318 15H 3s 0.121056 0.249794 0.032953 0.321424 0.012294 0.354603 15H 1pz 0.003193 0.034405 0.005753 0.014579 0.017419 0.006079 15H 1px 0.001274 -0.006475 0.007580 0.002433 -0.089367 0.033909 15H 1py 0.036113 0.062521 0.018889 0.053771 -0.045037 0.034242 16H 1s -0.008768 0.014086 0.016977 -0.032749 -0.028682 0.054465 16H 2s -0.197861 -0.000077 -0.044399 -0.010896 0.034471 -0.253404 16H 3s 0.072124 0.028426 0.052647 -0.005925 -0.073489 0.117021 16H 1pz 0.035461 -0.000003 -0.028274 0.010136 -0.004950 -0.035550 16H 1px -0.202935 0.005241 0.036935 0.041716 -0.001755 0.087349 16H 1py -0.110848 -0.033364 -0.004528 0.053395 0.085610 -0.031214 17H 1s 0.003492 0.012620 0.005339 -0.040055 0.020580 -0.058847 17H 2s -0.007344 0.019466 -0.009829 0.030859 -0.254960 0.231425 17H 3s -0.101251 0.019351 0.004111 -0.008056 -0.056919 -0.121522 17H 1pz -0.016782 -0.000144 0.000038 -0.033352 0.001861 0.040532 17H 1px 0.143116 0.028436 -0.008861 0.048184 -0.017181 -0.091950 17H 1py 0.153412 -0.011412 -0.012722 0.083944 -0.017636 0.043484 18H 1s 0.002981 -0.012464 -0.006198 0.039581 0.020737 0.059086 18H 2s -0.006123 -0.020030 0.014583 -0.029874 -0.253331 -0.230271 18H 3s -0.103847 -0.020878 -0.005741 0.009801 -0.056869 0.119876 18H 1pz 0.019048 0.000960 0.001329 -0.034269 -0.002484 0.041923 18H 1px -0.143250 0.026278 -0.009370 0.047714 0.016998 -0.092546 18H 1py -0.157692 -0.012612 -0.013731 0.084766 0.017647 0.045556 19H 1s -0.009775 -0.013522 -0.017099 0.033999 -0.024511 -0.055366 19H 2s -0.200101 -0.004308 0.044554 0.007103 0.016356 0.263814 19H 3s 0.068680 -0.027111 -0.051813 0.007139 -0.066964 -0.116441 19H 1pz -0.037551 0.001052 -0.028533 0.010247 0.009658 -0.034552 19H 1px 0.209310 0.006572 0.039228 0.039802 0.000102 0.083037 19H 1py 0.111325 -0.032608 -0.003576 0.053318 -0.083162 -0.033411 20H 1s 0.006214 -0.013752 0.002506 0.011059 -0.023092 -0.003727 20H 2s -0.111191 0.454852 0.132525 0.094577 0.013730 0.031475 20H 3s 0.119686 -0.250086 -0.030783 -0.321994 0.010921 -0.354827 20H 1pz -0.004102 0.034504 0.005847 0.015099 -0.016414 0.006424 20H 1px -0.002119 -0.006213 0.007388 0.000109 0.086295 0.035397 20H 1py -0.036793 0.061486 0.018193 0.053366 0.045428 0.035578 21H 1s -0.004647 0.028141 0.001664 -0.001273 -0.020864 -0.003464 21H 2s 0.030846 0.162058 -0.208281 -0.071928 -0.538869 -0.063602 21H 3s 0.153688 -0.477776 0.193674 -0.408475 0.199599 -0.296933 21H 1pz 0.003438 -0.038474 0.039826 -0.015763 0.107238 0.024057 21H 1px 0.006192 -0.011842 0.021563 -0.013637 0.044199 -0.029591 21H 1py -0.014798 -0.045202 0.004378 0.005059 0.028909 0.019894 22H 1s 0.008065 0.060777 -0.003493 -0.001043 0.000668 0.005044 22H 2s -0.018062 -0.154872 0.005344 0.218426 0.583482 0.557552 22H 3s -0.101976 -0.754759 0.163028 -0.701406 -0.338872 -0.596564 22H 1pz 0.010352 -0.015938 -0.001931 -0.043898 -0.148873 -0.112462 22H 1px -0.005467 0.033015 -0.010202 0.030323 0.031359 0.048543 22H 1py -0.002342 -0.041411 -0.002908 0.015805 0.028920 0.049425 23H 1s -0.003239 0.005927 -0.017359 -0.017927 -0.003210 0.014307 23H 2s -0.190808 -0.186845 -0.205368 -0.072965 0.010566 0.423659 23H 3s 0.089082 0.130875 0.438671 0.215972 0.081704 -0.405732 23H 1pz -0.019220 -0.000924 -0.031044 -0.004392 -0.000791 0.017834 23H 1px 0.009006 -0.005251 -0.013119 0.014124 -0.014476 0.006670 23H 1py 0.018886 0.040087 0.043447 0.011261 0.013582 -0.089212 24H 1s -0.001434 0.002779 0.006324 -0.006282 0.015123 0.016045 24H 2s -0.044666 0.177010 -0.400569 -0.226492 -0.212657 0.017298 24H 3s 0.046817 -0.067579 0.324792 0.274491 0.067759 -0.142251 24H 1pz -0.003563 -0.023612 0.053181 0.021346 0.032566 -0.001916 24H 1px -0.005860 -0.006205 0.026858 0.007726 0.015944 -0.024428 24H 1py -0.007111 0.010821 -0.036698 -0.021769 -0.007004 -0.014905 25H 1s -0.009018 -0.003315 -0.062113 -0.021804 -0.010901 0.008938 25H 2s 0.315018 -0.057720 0.109070 0.230388 -0.006864 -0.306672 25H 3s 0.078111 0.167151 0.879907 0.160267 0.265284 -0.161183 25H 1pz -0.028373 0.011835 -0.023211 -0.018714 -0.003034 0.042776 25H 1px 0.027836 -0.011706 -0.053333 0.000840 -0.024002 -0.018937 25H 1py 0.001375 -0.004381 -0.008352 -0.000128 -0.001456 0.040312 26O 1s 0.010267 -0.000335 -0.005663 -0.002439 -0.000630 0.009888 26O 2s 0.021321 -0.000177 -0.007119 -0.003933 -0.001945 0.024295 26O 3s 0.065773 -0.011776 -0.139339 -0.059225 0.016496 -0.006307 26O 4s -1.030700 0.080555 1.041399 0.401620 -0.055187 -0.487053 26O 5s 2.279695 0.083948 0.367792 1.231777 -0.852729 -0.797081 26O 1pz -0.035499 -0.026417 -0.054761 0.007320 0.026395 -0.061928 26O 1px 0.028764 -0.019096 -0.019961 0.037168 0.017379 0.022004 26O 1py 0.006330 0.014006 -0.047386 -0.002038 -0.001333 -0.031798 26O 2pz -0.049406 -0.026710 -0.075172 -0.025946 0.066107 -0.014989 26O 2px 0.166442 -0.033892 -0.330226 -0.253579 0.084818 0.325754 26O 2py 0.031338 0.017646 -0.170015 -0.175247 0.054772 0.109300 26O 3pz 0.863478 -0.030772 -0.682381 -0.124164 0.124314 -0.310482 26O 3px -0.002262 0.086116 -0.324690 -0.931592 0.281614 0.080451 26O 3py 0.763716 -0.175736 -0.552542 -0.200484 0.119170 -0.155900 26O 1dz2 -0.005807 0.001016 0.001467 -0.000408 0.000606 -0.000520 26O 1dxz -0.004083 -0.002790 -0.011766 0.001187 0.003743 -0.001989 26O 1dyz -0.007594 -0.001823 -0.004969 0.000867 0.000439 0.002775 26O 1dx2y2 0.002143 0.000371 0.002731 -0.001346 0.000990 0.000415 26O 1dxy 0.001177 -0.000126 -0.007759 -0.002407 0.000824 -0.000032 26O 2dz2 0.095294 -0.004785 0.054419 0.017408 -0.024756 0.077703 26O 2dxz -0.035026 0.006697 0.015591 0.009748 -0.025903 -0.050042 26O 2dyz -0.033249 0.044410 0.166108 -0.074330 0.024394 0.021466 26O 2dx2y2 -0.047998 -0.002532 0.031535 0.125958 -0.011194 0.024247 26O 2dxy -0.043427 -0.008038 0.085262 0.042176 -0.019940 0.020672 26O 1f0 0.000702 0.001053 0.004157 0.002003 -0.002891 0.000729 26O 1f+1 -0.000773 0.000253 0.005137 0.005846 -0.001588 -0.003821 26O 1f-1 0.002714 0.001071 0.009063 0.005652 -0.001024 -0.004134 26O 1f+2 -0.001670 -0.000768 -0.009294 0.001164 0.000961 0.001832 26O 1f-2 0.000310 0.000987 0.002519 -0.000995 -0.000264 -0.002336 26O 1f+3 -0.001148 -0.001066 -0.000448 0.000032 0.000545 -0.001648 26O 1f-3 -0.001103 -0.000056 0.003388 0.008165 -0.000060 -0.003140 27O 1s 0.002891 0.006947 -0.002072 0.000982 0.005399 -0.012411 27O 2s 0.007619 0.010283 -0.004489 0.000784 0.013760 -0.032940 27O 3s -0.011450 0.133038 -0.009341 0.064077 -0.027431 0.104896 27O 4s 0.012728 -1.075244 0.168771 -0.355950 -0.277620 0.170635 27O 5s -1.795849 -0.196605 0.067898 -1.669730 1.448614 -1.673221 27O 1pz -0.044095 0.038376 0.026495 -0.032463 0.000093 0.038176 27O 1px -0.008081 0.025899 -0.009889 -0.001419 0.065827 -0.028086 27O 1py 0.022029 -0.052164 0.019096 0.000778 0.023099 -0.043324 27O 2pz -0.007230 0.005271 0.032679 -0.038494 0.004240 0.057871 27O 2px 0.176003 0.340426 -0.061412 0.367361 0.094458 0.185832 27O 2py -0.035601 -0.096112 0.032067 -0.150359 0.009063 -0.113464 27O 3pz -0.549257 0.375603 -0.165389 0.360886 -0.487408 0.070640 27O 3px 0.600449 0.464416 -0.024421 0.822114 -1.140325 0.839107 27O 3py 0.050984 -0.678525 -0.012381 -0.366139 0.943708 -0.335615 27O 1dz2 -0.002449 -0.003364 -0.000376 -0.001546 0.002357 -0.001423 27O 1dxz -0.002386 0.007777 -0.000196 0.001765 -0.004292 0.001451 27O 1dyz -0.001862 -0.001127 0.000169 0.002310 0.001862 0.003247 27O 1dx2y2 0.000097 -0.000047 -0.000566 0.003753 0.003027 0.002353 27O 1dxy -0.006620 -0.011794 0.002860 -0.007237 0.009713 -0.000582 27O 2dz2 0.083345 0.082108 0.007144 -0.016164 -0.117314 0.081480 27O 2dxz -0.000639 0.005316 -0.007260 -0.059819 -0.037350 0.001214 27O 2dyz -0.071642 0.172953 -0.021263 -0.098826 -0.050614 -0.079699 27O 2dx2y2 -0.027127 0.026923 -0.003787 -0.172884 0.079855 -0.121874 27O 2dxy -0.028610 0.072412 -0.026332 0.083857 0.007697 0.034632 27O 1f0 0.000816 0.003042 -0.000196 0.001251 -0.000486 -0.001225 27O 1f+1 -0.002453 -0.001399 -0.000241 -0.009214 0.007336 -0.010909 27O 1f-1 0.000214 0.001702 0.001050 0.002471 -0.002697 0.000993 27O 1f+2 -0.001098 0.008432 -0.001680 -0.005101 -0.000874 -0.000344 27O 1f-2 -0.001207 0.007498 -0.001113 0.006305 -0.003192 -0.000011 27O 1f+3 -0.003970 -0.005638 0.000777 -0.009269 0.006239 -0.011582 27O 1f-3 0.000955 0.006564 -0.000165 0.008758 -0.009492 0.008357 28O 1s -0.005233 -0.001384 -0.009446 -0.000361 0.002718 -0.010884 28O 2s -0.013903 -0.002754 -0.016601 0.000331 0.005434 -0.030223 28O 3s 0.028923 -0.007595 -0.125169 -0.056068 0.036398 0.124688 28O 4s 0.045292 0.119841 1.186077 0.286043 -0.343774 -0.025172 28O 5s 1.501066 -0.104636 -0.112965 1.718282 -1.150096 -1.624922 28O 1pz 0.059327 -0.031391 -0.055876 0.013056 0.002521 0.034341 28O 1px 0.032239 -0.013138 -0.004748 0.015299 -0.030177 0.061662 28O 1py 0.029044 0.021926 -0.038020 -0.006086 0.009325 0.028982 28O 2pz -0.057330 -0.027548 -0.233374 -0.258833 0.206978 0.232224 28O 2px 0.133223 -0.006093 0.277792 0.275902 -0.215818 -0.125062 28O 2py 0.013718 0.040387 -0.038393 -0.115254 0.044548 0.070764 28O 3pz -0.328931 0.030915 -0.808321 -0.651874 0.321338 0.795882 28O 3px 0.839305 0.048259 0.036175 0.448503 -0.335414 -0.602594 28O 3py -0.084662 -0.170284 -0.485185 -0.002840 0.150078 0.304984 28O 1dz2 0.000744 -0.001438 -0.009010 -0.003016 0.000140 0.001573 28O 1dxz 0.003645 0.001111 0.005668 0.004508 -0.004020 -0.003838 28O 1dyz -0.002930 -0.000275 -0.006302 -0.000883 0.001119 -0.001191 28O 1dx2y2 -0.002939 0.001409 0.003744 -0.001484 -0.000085 -0.001695 28O 1dxy 0.001891 -0.001106 0.005874 0.004816 -0.002062 -0.002259 28O 2dz2 -0.043731 0.003399 0.062880 0.095403 0.039339 0.010330 28O 2dxz -0.078554 0.012942 -0.020605 -0.122959 0.107397 0.150387 28O 2dyz -0.055861 0.033518 0.164751 -0.127265 -0.028275 0.014489 28O 2dx2y2 -0.005016 -0.003793 0.036477 0.054065 -0.020084 -0.045620 28O 2dxy -0.003798 0.034716 0.058297 -0.122086 0.005069 0.048994 28O 1f0 0.001369 -0.000734 0.002109 0.008865 -0.000394 -0.004403 28O 1f+1 -0.000568 -0.000229 0.005499 0.005569 -0.003067 -0.009695 28O 1f-1 -0.002167 0.001856 0.010399 -0.000506 0.000191 0.001075 28O 1f+2 -0.002233 0.000983 -0.006339 -0.009081 0.005620 0.013519 28O 1f-2 -0.000976 0.001027 0.003744 0.002116 0.000381 -0.003250 28O 1f+3 -0.003405 0.000700 0.002359 -0.004912 0.001914 0.005195 28O 1f-3 -0.001950 0.000072 0.003999 0.006111 -0.001152 -0.005197 29O 1s 0.000227 0.000315 0.000346 -0.000994 0.000419 -0.000175 29O 2s 0.000055 0.001332 0.001248 -0.002729 -0.000029 -0.000535 29O 3s 0.009811 -0.015093 -0.011914 0.012784 0.022561 0.003320 29O 4s -0.074941 0.033872 0.018395 0.059633 -0.142900 -0.006725 29O 5s 0.238058 0.050969 0.073431 -0.518269 0.369113 0.004602 29O 1pz 0.002898 -0.008614 0.019916 -0.000443 0.012131 -0.005736 29O 1px 0.005833 -0.009524 0.001515 0.007027 -0.011524 0.000042 29O 1py -0.002052 0.023492 0.012202 -0.001983 -0.030543 0.001067 29O 2pz 0.030392 -0.000440 -0.031613 0.002346 0.038693 -0.139287 29O 2px 0.018082 0.009940 0.002976 -0.011531 0.013503 -0.053786 29O 2py 0.009763 -0.021746 -0.016826 0.039917 0.015386 0.018366 29O 3pz -0.368214 0.030503 0.026804 -0.090962 0.088096 0.042570 29O 3px -0.073895 -0.078974 -0.063083 0.191025 0.087699 0.032331 29O 3py -0.136522 0.023442 -0.004561 -0.034635 -0.176842 -0.034540 29O 1dz2 -0.002550 -0.000222 0.000296 -0.002581 0.000989 0.001750 29O 1dxz 0.006324 0.000492 -0.000984 -0.002654 -0.000626 -0.002247 29O 1dyz 0.002627 0.001193 -0.000700 -0.000680 -0.001290 -0.001156 29O 1dx2y2 0.002701 -0.000208 -0.000508 0.005317 -0.000246 -0.000891 29O 1dxy 0.001969 -0.001018 -0.000793 0.003168 0.000689 0.000220 29O 2dz2 -0.080584 -0.003790 -0.005171 0.052013 -0.000852 0.095241 29O 2dxz 0.213844 -0.003332 0.033089 -0.033191 0.041078 -0.090215 29O 2dyz 0.123004 -0.006844 0.017302 0.019120 -0.051731 0.106549 29O 2dx2y2 0.099932 -0.049191 -0.011486 0.150861 0.067014 -0.019975 29O 2dxy 0.064969 0.033126 0.014261 -0.080313 -0.080792 0.055463 29O 1f0 -0.000461 -0.002578 -0.001335 0.006764 0.002268 -0.000216 29O 1f+1 0.000252 0.000760 0.001562 -0.004178 -0.000138 -0.001037 29O 1f-1 0.000194 -0.001582 -0.001736 0.002417 0.002554 -0.004381 29O 1f+2 -0.001638 0.001404 0.000673 -0.005476 -0.002212 0.001814 29O 1f-2 0.000628 -0.000213 -0.000344 0.002603 -0.002626 0.006560 29O 1f+3 -0.000369 0.000389 0.000592 -0.005230 0.000827 -0.002170 29O 1f-3 -0.000843 0.001769 0.000965 -0.001910 0.000307 -0.003107 30O 1s -0.006095 0.007964 -0.000460 0.004125 -0.006530 0.008509 30O 2s -0.012279 0.012929 0.000106 0.007740 -0.018064 0.021892 30O 3s -0.043263 0.130262 -0.025234 0.062935 0.063119 -0.024425 30O 4s 0.680762 -1.139031 0.152659 -0.520554 0.237109 -0.304321 30O 5s -2.332145 0.033467 0.017951 -0.854145 -0.937008 -0.738948 30O 1pz 0.016085 0.043942 0.019505 -0.025196 -0.060134 -0.020779 30O 1px 0.021235 0.010416 -0.008497 0.024546 0.085184 -0.046332 30O 1py 0.010923 -0.059160 0.036076 0.000664 0.047824 0.051872 30O 2pz 0.008615 0.196034 0.015305 0.118750 -0.058922 0.129642 30O 2px 0.052062 -0.246910 0.027842 -0.213112 0.046044 -0.232012 30O 2py -0.045245 -0.203605 0.048481 -0.195175 0.062847 -0.083840 30O 3pz -0.027400 0.468895 -0.263498 0.640217 0.848431 -0.133985 30O 3px -0.507889 0.172411 -0.021132 -0.605978 -0.423749 -0.289928 30O 3py 0.807146 -0.742822 0.106200 -0.406542 -1.111949 0.243823 30O 1dz2 0.002930 0.003384 0.000273 -0.000712 -0.000153 -0.001284 30O 1dxz 0.000127 -0.001923 -0.001343 -0.000015 0.001647 -0.001324 30O 1dyz -0.007235 -0.008671 0.001577 -0.001250 -0.007919 -0.000715 30O 1dx2y2 -0.004665 -0.010283 0.001738 0.001580 -0.008875 0.002467 30O 1dxy -0.005317 0.005048 -0.001716 0.001912 -0.000926 -0.002630 30O 2dz2 -0.044631 0.057539 -0.023129 -0.027361 0.043187 -0.020709 30O 2dxz -0.087348 0.015593 0.009248 0.020588 0.130723 0.040365 30O 2dyz -0.016777 0.167117 -0.038665 0.040572 0.052262 -0.064088 30O 2dx2y2 -0.042189 0.039167 0.009462 -0.113908 -0.035655 0.027160 30O 2dxy -0.011110 0.044146 -0.005919 -0.079534 -0.063993 -0.070138 30O 1f0 0.000591 0.004955 -0.000525 -0.004216 -0.006138 -0.000733 30O 1f+1 0.000269 -0.003390 0.000747 0.002516 -0.003788 -0.001044 30O 1f-1 0.001065 0.001219 0.000585 0.002457 -0.000036 -0.001678 30O 1f+2 0.001239 0.005647 -0.001206 0.002240 0.006194 0.005691 30O 1f-2 0.001677 0.006459 -0.001752 0.008589 0.014940 0.003733 30O 1f+3 -0.002325 -0.008564 0.001918 -0.003324 -0.005956 0.000357 30O 1f-3 0.000322 0.005134 -0.000338 0.005770 0.010246 0.004454 31O 1s -0.006189 -0.008097 0.000448 -0.003883 -0.006220 -0.008789 31O 2s -0.012565 -0.013220 -0.000121 -0.007151 -0.017283 -0.022646 31O 3s -0.042280 -0.130772 0.025007 -0.063139 0.062204 0.026421 31O 4s 0.680340 1.150812 -0.150878 0.502803 0.223477 0.314617 31O 5s -2.317431 -0.068823 -0.037401 0.886410 -0.937379 0.722697 31O 1pz -0.017965 0.043813 0.019100 -0.025804 0.059934 -0.018818 31O 1px -0.021418 0.009838 -0.008325 0.027062 -0.082574 -0.049369 31O 1py -0.010577 -0.059141 0.036499 0.001540 -0.048908 0.051768 31O 2pz -0.011261 0.196497 0.014358 0.115330 0.053789 0.133148 31O 2px -0.052873 -0.249118 0.028166 -0.208082 -0.038793 -0.236704 31O 2py 0.041418 -0.203221 0.049979 -0.192543 -0.060563 -0.086502 31O 3pz 0.056333 0.468189 -0.262295 0.653120 -0.828494 -0.153696 31O 3px 0.500945 0.179976 -0.017388 -0.615051 0.415672 -0.280685 31O 3py -0.808063 -0.747270 0.099676 -0.417436 1.091698 0.276667 31O 1dz2 0.002930 -0.003355 -0.000253 0.000677 -0.000139 0.001215 31O 1dxz 0.000102 0.001959 0.001333 -0.000063 0.001533 0.001419 31O 1dyz -0.007228 0.008557 -0.001615 0.001502 -0.007881 0.000511 31O 1dx2y2 -0.004661 0.010173 -0.001756 -0.001310 -0.008794 -0.002798 31O 1dxy -0.005401 -0.005091 0.001705 -0.001806 -0.000956 0.002627 31O 2dz2 -0.038961 -0.058162 0.022432 0.027891 0.043539 0.022411 31O 2dxz -0.087088 -0.016865 -0.010405 -0.020053 0.131129 -0.036329 31O 2dyz -0.016059 -0.167263 0.038281 -0.041620 0.050068 0.064384 31O 2dx2y2 -0.038655 -0.039609 -0.009563 0.116042 -0.032396 -0.026660 31O 2dxy -0.007985 -0.043803 0.005926 0.080111 -0.064287 0.070648 31O 1f0 -0.000792 0.004938 -0.000557 -0.004282 0.006094 -0.000661 31O 1f+1 -0.000171 -0.003367 0.000724 0.002473 0.003887 -0.000971 31O 1f-1 -0.000922 0.001209 0.000570 0.002475 0.000180 -0.001630 31O 1f+2 -0.001330 0.005652 -0.001175 0.002310 -0.006279 0.005563 31O 1f-2 -0.001676 0.006429 -0.001698 0.008832 -0.014812 0.003406 31O 1f+3 0.002297 -0.008515 0.001936 -0.003494 0.005827 0.000578 31O 1f-3 -0.000240 0.005144 -0.000310 0.005921 -0.010240 0.004209 32O 1s 0.000197 -0.000280 -0.000376 0.001042 0.000678 0.000195 32O 2s -0.000066 -0.001237 -0.001339 0.002869 0.000650 0.000579 32O 3s 0.011029 0.014717 0.012393 -0.013472 0.020704 -0.003061 32O 4s -0.078366 -0.034551 -0.018404 -0.059531 -0.152215 0.005333 32O 5s 0.241477 -0.045221 -0.078055 0.521915 0.417908 -0.008154 32O 1pz -0.002900 -0.008985 0.019740 0.000173 -0.012449 -0.006671 32O 1px -0.006615 -0.009307 0.001124 0.007298 0.012133 0.000542 32O 1py 0.002693 0.023613 0.012047 -0.002324 0.030897 0.001375 32O 2pz -0.031882 0.000479 -0.030965 0.003088 -0.032917 -0.140141 32O 2px -0.017415 0.009690 0.003921 -0.012028 -0.014359 -0.052753 32O 2py -0.012142 -0.021069 -0.018400 0.040632 -0.013546 0.014827 32O 3pz 0.376545 0.031033 0.029441 -0.092455 -0.096723 0.033459 32O 3px 0.067789 -0.077399 -0.063824 0.194362 -0.069150 0.035084 32O 3py 0.151970 0.024009 -0.003664 -0.036418 0.175130 -0.039367 32O 1dz2 -0.002554 0.000216 -0.000351 0.002585 0.001055 -0.001826 32O 1dxz 0.006493 -0.000455 0.001019 0.002590 -0.000654 0.002117 32O 1dyz 0.002651 -0.001150 0.000739 0.000639 -0.001266 0.001117 32O 1dx2y2 0.002682 0.000251 0.000503 -0.005314 -0.000343 0.000838 32O 1dxy 0.002206 0.001032 0.000815 -0.003214 0.000590 -0.000282 32O 2dz2 -0.085825 0.004300 0.004091 -0.048423 0.005853 -0.093384 32O 2dxz 0.215825 0.005251 -0.032027 0.028799 0.041908 0.092275 32O 2dyz 0.125298 0.010256 -0.015420 -0.022129 -0.044173 -0.109681 32O 2dx2y2 0.097931 0.050825 0.012131 -0.153171 0.065877 0.024230 32O 2dxy 0.075220 -0.033378 -0.011864 0.078734 -0.078616 -0.056599 32O 1f0 0.000405 -0.002425 -0.001240 0.006624 -0.001829 -0.000092 32O 1f+1 -0.000215 0.000838 0.001646 -0.004408 -0.000002 -0.001223 32O 1f-1 -0.000209 -0.001589 -0.001788 0.002691 -0.002186 -0.004405 32O 1f+2 0.001791 0.001463 0.000789 -0.005662 0.001940 0.001865 32O 1f-2 -0.000628 -0.000185 -0.000407 0.002419 0.002591 0.006646 32O 1f+3 0.000452 0.000323 0.000643 -0.005165 -0.000906 -0.001938 32O 1f-3 0.000818 0.001767 0.000961 -0.001822 -0.000320 -0.003233 33O 1s -0.005017 0.001359 0.009417 0.000546 0.002617 0.010833 33O 2s -0.013298 0.002666 0.016508 0.000185 0.005044 0.030021 33O 3s 0.027520 0.008189 0.125634 0.054235 0.041227 -0.122310 33O 4s 0.041634 -0.122302 -1.187627 -0.287475 -0.364325 0.020327 33O 5s 1.469957 0.124190 0.139346 -1.705974 -1.221390 1.552236 33O 1pz -0.056633 -0.031805 -0.056249 0.013987 -0.003467 0.035732 33O 1px -0.032467 -0.013285 -0.005193 0.016312 0.029861 0.060289 33O 1py -0.029382 0.021824 -0.038691 -0.005405 -0.009884 0.029562 33O 2pz 0.054879 -0.027121 -0.231509 -0.257201 -0.222897 0.227302 33O 2px -0.130550 -0.006568 0.276914 0.276474 0.230876 -0.119705 33O 2py -0.017963 0.040243 -0.039174 -0.114752 -0.048548 0.070309 33O 3pz 0.296734 0.031895 -0.803746 -0.641983 -0.339357 0.741991 33O 3px -0.813450 0.041825 0.026055 0.450565 0.351444 -0.573719 33O 3py 0.091897 -0.168664 -0.484500 0.002984 -0.158261 0.282328 33O 1dz2 0.000708 0.001438 0.008995 0.002913 0.000203 -0.001302 33O 1dxz 0.003573 -0.001091 -0.005594 -0.004512 -0.004233 0.003639 33O 1dyz -0.002924 0.000227 0.006312 0.000823 0.001040 0.001394 33O 1dx2y2 -0.002862 -0.001402 -0.003750 0.001576 -0.000071 0.001610 33O 1dxy 0.001819 0.001136 -0.005894 -0.004793 -0.002222 0.002111 33O 2dz2 -0.043012 -0.004316 -0.064089 -0.095406 0.038645 -0.009346 33O 2dxz -0.077140 -0.013928 0.019568 0.122343 0.113844 -0.144894 33O 2dyz -0.049177 -0.033773 -0.164692 0.129187 -0.025942 -0.016286 33O 2dx2y2 -0.006913 0.003109 -0.037090 -0.053082 -0.021012 0.040658 33O 2dxy -0.002669 -0.034107 -0.058243 0.121922 0.009474 -0.048659 33O 1f0 -0.001257 -0.000744 0.002104 0.008859 0.000664 -0.004253 33O 1f+1 0.000510 -0.000245 0.005476 0.005426 0.003480 -0.009382 33O 1f-1 0.001903 0.001871 0.010446 -0.000546 -0.000181 0.001083 33O 1f+2 0.002246 0.000978 -0.006364 -0.008892 -0.006193 0.012985 33O 1f-2 0.000999 0.001028 0.003780 0.002021 -0.000342 -0.003102 33O 1f+3 0.003311 0.000719 0.002389 -0.004913 -0.002149 0.005008 33O 1f-3 0.001960 0.000079 0.004051 0.005984 0.001365 -0.005011 34O 1s 0.002823 -0.006841 0.002073 -0.001199 0.005099 0.012657 34O 2s 0.007453 -0.010018 0.004485 -0.001360 0.013000 0.033523 34O 3s -0.011743 -0.133192 0.009637 -0.062656 -0.026193 -0.104852 34O 4s 0.018011 1.070686 -0.169339 0.362938 -0.265951 -0.189056 34O 5s -1.779072 0.174632 -0.099827 1.657525 1.428033 1.713097 34O 1pz 0.042539 0.039034 0.026957 -0.033447 -0.001727 0.037806 34O 1px 0.007528 0.025575 -0.009841 0.000275 -0.063655 -0.030665 34O 1py -0.022467 -0.052653 0.019164 0.001968 -0.021695 -0.044658 34O 2pz 0.004134 0.005441 0.032483 -0.038991 -0.007059 0.058218 34O 2px -0.172129 0.335736 -0.064905 0.371925 -0.088963 0.177639 34O 2py 0.031877 -0.095281 0.033493 -0.150389 -0.008765 -0.112147 34O 3pz 0.567498 0.380417 -0.161097 0.343977 0.484795 0.079800 34O 3px -0.576013 0.456109 -0.032749 0.799802 1.105399 0.867447 34O 3py -0.044209 -0.681362 -0.009996 -0.345776 -0.925426 -0.362208 34O 1dz2 -0.002460 0.003332 0.000348 0.001519 0.002308 0.001508 34O 1dxz -0.002310 -0.007801 0.000196 -0.001586 -0.004192 -0.001550 34O 1dyz -0.001924 0.001127 -0.000186 -0.002368 0.001860 -0.003167 34O 1dx2y2 -0.000021 0.000104 0.000558 -0.003829 0.002975 -0.002158 34O 1dxy -0.006643 0.011756 -0.002978 0.007093 0.009690 0.000871 34O 2dz2 0.086373 -0.081100 -0.005822 0.016551 -0.113893 -0.086960 34O 2dxz 0.000300 -0.005263 0.007346 0.060994 -0.035934 -0.002908 34O 2dyz -0.071167 -0.173687 0.020886 0.100357 -0.051703 0.079988 34O 2dx2y2 -0.021806 -0.027662 0.003115 0.170737 0.079374 0.120627 34O 2dxy -0.027414 -0.072692 0.026227 -0.082351 0.006766 -0.033383 34O 1f0 -0.000726 0.003031 -0.000199 0.001264 0.000566 -0.001221 34O 1f+1 0.002341 -0.001376 -0.000187 -0.009034 -0.007199 -0.011038 34O 1f-1 -0.000175 0.001715 0.001038 0.002415 0.002725 0.000978 34O 1f+2 0.000858 0.008476 -0.001674 -0.005194 0.000719 -0.000255 34O 1f-2 0.001198 0.007529 -0.001130 0.006223 0.003285 0.000058 34O 1f+3 0.004028 -0.005601 0.000836 -0.009077 -0.006067 -0.011745 34O 1f-3 -0.000850 0.006582 -0.000240 0.008527 0.009393 0.008597 35O 1s 0.010389 0.000379 0.005759 0.002241 -0.000406 -0.009813 35O 2s 0.021639 0.000245 0.007319 0.003502 -0.001468 -0.024058 35O 3s 0.066008 0.012676 0.139949 0.058074 0.018513 0.004822 35O 4s -1.038215 -0.088201 -1.051152 -0.381253 -0.074321 0.485626 35O 5s 2.238499 -0.068034 -0.340680 -1.246783 -0.922445 0.810637 35O 1pz 0.036617 -0.025927 -0.054073 0.006393 -0.025531 -0.062332 35O 1px -0.028198 -0.018923 -0.020000 0.038660 -0.016263 0.019780 35O 1py -0.005663 0.013646 -0.047810 -0.001167 0.002232 -0.033930 35O 2pz 0.047015 -0.026341 -0.073907 -0.025257 -0.067461 -0.016835 35O 2px -0.172721 -0.035502 -0.331149 -0.245707 -0.098062 0.325273 35O 2py -0.037688 0.016697 -0.171272 -0.171274 -0.060559 0.106843 35O 3pz -0.876285 -0.036967 -0.691454 -0.119065 -0.128701 -0.286305 35O 3px -0.041191 0.085242 -0.322136 -0.932106 -0.323161 0.104657 35O 3py -0.775171 -0.181068 -0.555329 -0.199217 -0.139181 -0.128027 35O 1dz2 -0.005931 -0.001062 -0.001518 0.000549 0.000629 0.000454 35O 1dxz -0.004018 0.002748 0.011701 -0.001077 0.003808 0.001826 35O 1dyz -0.007742 0.001778 0.004885 -0.000692 0.000602 -0.002920 35O 1dx2y2 0.002290 -0.000384 -0.002737 0.001269 0.001015 -0.000426 35O 1dxy 0.001315 0.000169 0.007788 0.002367 0.000942 -0.000010 35O 2dz2 0.098085 0.006464 -0.053363 -0.019793 -0.021589 -0.078833 35O 2dxz -0.037072 -0.007062 -0.015892 -0.008332 -0.026742 0.049500 35O 2dyz -0.026249 -0.045272 -0.166075 0.074453 0.025631 -0.021786 35O 2dx2y2 -0.052163 0.001897 -0.031823 -0.125326 -0.013724 -0.019732 35O 2dxy -0.045187 0.007768 -0.085517 -0.041905 -0.021977 -0.015600 35O 1f0 -0.000733 0.001055 0.004099 0.002003 0.003001 0.000661 35O 1f+1 0.000942 0.000307 0.005130 0.005812 0.001914 -0.004102 35O 1f-1 -0.002874 0.001089 0.009060 0.005689 0.001351 -0.004236 35O 1f+2 0.001846 -0.000757 -0.009285 0.001040 -0.001176 0.002049 35O 1f-2 -0.000420 0.000984 0.002514 -0.001013 0.000276 -0.002246 35O 1f+3 0.001147 -0.001051 -0.000493 0.000097 -0.000360 -0.001933 35O 1f-3 0.001350 0.000003 0.003427 0.008160 0.000426 -0.003544 306 307 308 309 310 311 1.43278 1.44042 1.44209 1.44504 1.45294 1.45757 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s 0.001112 0.002116 -0.001868 -0.001482 -0.001677 0.000171 0Rh 2s -0.006139 -0.011838 0.010333 0.004516 0.005437 -0.000754 0Rh 3s 0.002746 0.005125 -0.004600 -0.005915 -0.006493 0.000542 0Rh 4s 0.029534 0.056937 -0.049715 -0.020969 -0.025397 0.003605 0Rh 5s -0.041054 -0.079532 0.069352 0.006782 0.012466 -0.004269 0Rh 6s -0.012657 -0.024025 0.020328 0.110793 0.114744 -0.004864 0Rh 7s 0.170119 0.461522 -0.401573 -0.664402 -0.720273 -0.003018 0Rh 8s 0.139535 0.036124 -0.034875 -0.361227 -0.305869 0.056301 0Rh 1pz -0.013824 0.007257 -0.001609 0.000776 -0.004082 0.001970 0Rh 1px -0.003399 0.001831 0.000880 0.010659 0.007585 0.002130 0Rh 1py -0.007905 0.002250 -0.000228 -0.000933 0.001774 -0.009265 0Rh 2pz 0.045946 -0.024001 0.005120 -0.002723 0.014159 -0.007017 0Rh 2px 0.011046 -0.006688 -0.002610 -0.036266 -0.025809 -0.007291 0Rh 2py 0.025914 -0.007719 0.001075 0.003270 -0.005995 0.030741 0Rh 3pz 0.009868 -0.007576 0.006026 0.002221 -0.010244 0.007778 0Rh 3px 0.007673 0.010966 -0.006894 0.010601 0.007510 0.002722 0Rh 3py 0.012782 0.003071 -0.006203 -0.003011 0.000368 0.008224 0Rh 4pz -0.300383 0.165563 -0.053607 0.008466 -0.034755 0.012302 0Rh 4px -0.093651 -0.002918 0.039717 0.158487 0.112752 0.031593 0Rh 4py -0.195849 0.034452 0.016690 -0.006002 0.034637 -0.208988 0Rh 5pz 0.446283 -0.239133 0.092777 -0.033175 0.021375 -0.015094 0Rh 5px 0.150766 0.004787 -0.048870 -0.170921 -0.107619 -0.041377 0Rh 5py 0.289645 -0.061065 -0.025830 0.017044 -0.045616 0.318122 0Rh 6pz 1.072856 -0.822988 -0.202641 0.455813 0.112079 -0.217370 0Rh 6px 0.008826 -0.119764 -0.170525 -1.001617 -1.099552 -0.237300 0Rh 6py 0.900574 0.176167 -0.029699 -0.329493 -0.306161 0.462666 0Rh 1dz2 -0.011122 -0.005377 -0.003837 0.000904 -0.000306 0.013110 0Rh 1dxz 0.014544 -0.006409 0.003550 0.009250 -0.019847 0.003450 0Rh 1dyz -0.011964 -0.007951 -0.003802 0.033061 -0.021638 0.044502 0Rh 1dx2y2 -0.005073 0.000686 -0.004939 0.023085 -0.001231 0.002070 0Rh 1dxy 0.009995 -0.000152 -0.008853 -0.000979 -0.014656 0.023947 0Rh 2dz2 0.003330 0.000253 0.002883 0.000135 0.001998 -0.003407 0Rh 2dxz -0.004435 0.000928 0.000169 0.001186 0.003601 -0.000520 0Rh 2dyz 0.003504 0.001459 0.001536 -0.005408 0.004265 -0.010876 0Rh 2dx2y2 0.001378 0.002388 -0.000036 -0.005705 -0.002120 -0.000405 0Rh 2dxy -0.001678 0.001536 0.001200 -0.001812 0.001365 -0.006551 0Rh 3dz2 0.010962 0.011263 -0.003633 -0.002753 -0.008295 -0.015096 0Rh 3dxz -0.014025 0.010715 -0.008838 -0.026552 0.029739 -0.005579 0Rh 3dyz 0.012135 0.011764 0.001945 -0.052113 0.030840 -0.054620 0Rh 3dx2y2 0.005644 -0.011807 0.011540 -0.027792 0.012350 -0.003009 0Rh 3dxy -0.015551 -0.006280 0.015026 0.010378 0.027827 -0.026497 0Rh 4dz2 0.057134 0.007351 0.042903 0.003307 0.034977 -0.061297 0Rh 4dxz -0.075991 0.017627 -0.001217 0.015196 0.070390 -0.011124 0Rh 4dyz 0.060442 0.028965 0.026038 -0.106512 0.082748 -0.196017 0Rh 4dx2y2 0.024194 0.032621 0.002262 -0.108811 -0.036305 -0.008285 0Rh 4dxy -0.033502 0.021799 0.025325 -0.030393 0.028299 -0.114926 0Rh 5dz2 -0.211495 -0.019540 -0.161467 -0.032427 -0.233630 0.252281 0Rh 5dxz 0.265593 -0.038041 0.002381 -0.169722 -0.273076 0.048343 0Rh 5dyz -0.238698 -0.121595 -0.118596 0.395557 -0.355649 0.784871 0Rh 5dx2y2 -0.087316 -0.135727 0.012739 0.493141 0.246953 0.049668 0Rh 5dxy 0.107845 -0.093953 -0.095707 0.209182 -0.043681 0.443881 0Rh 1f0 -0.011581 0.003793 0.002575 0.009380 0.012066 -0.012328 0Rh 1f+1 -0.032892 -0.001990 0.000058 -0.020870 -0.005830 0.024938 0Rh 1f-1 -0.058449 0.008975 0.015722 0.006697 -0.028841 -0.058021 0Rh 1f+2 0.023892 -0.039586 0.017316 -0.030576 -0.014770 -0.009889 0Rh 1f-2 -0.043326 -0.015114 0.004382 -0.031653 0.000008 0.011309 0Rh 1f+3 -0.011094 -0.005092 0.010645 -0.019299 -0.028354 0.000688 0Rh 1f-3 -0.007813 -0.004664 0.009353 -0.016337 -0.028610 -0.033286 1Rh 1s 0.001167 0.002049 -0.001789 0.001589 0.001684 0.000191 1Rh 2s -0.006328 -0.011611 0.010090 -0.005094 -0.005477 -0.000820 1Rh 3s 0.002951 0.004871 -0.004285 0.006187 0.006509 0.000617 1Rh 4s 0.030416 0.055878 -0.048589 0.023744 0.025590 0.003913 1Rh 5s -0.041565 -0.078953 0.068972 -0.010521 -0.012753 -0.004425 1Rh 6s -0.016291 -0.019494 0.014473 -0.112573 -0.114747 -0.006256 1Rh 7s 0.184846 0.444050 -0.365357 0.690347 0.719597 0.002359 1Rh 8s 0.133337 0.043190 -0.014585 0.365675 0.307431 0.057980 1Rh 1pz 0.013728 -0.007296 0.001530 0.000455 -0.004606 -0.001962 1Rh 1px 0.003188 -0.001574 -0.000270 0.010563 0.007384 -0.002165 1Rh 1py 0.007724 -0.002027 0.000181 -0.001159 0.002173 0.008999 1Rh 2pz -0.045603 0.024121 -0.004859 -0.001675 0.015913 0.006963 1Rh 2px -0.010341 0.005831 0.000542 -0.035927 -0.025124 0.007402 1Rh 2py -0.025300 0.006966 -0.000916 0.004032 -0.007323 -0.029844 1Rh 3pz -0.010299 0.007834 -0.005894 0.002851 -0.010091 -0.007220 1Rh 3px -0.007607 -0.011076 0.007403 0.010251 0.007364 -0.002525 1Rh 3py -0.012902 -0.002972 0.006185 -0.002998 0.000108 -0.008242 1Rh 4pz 0.300328 -0.167448 0.051525 0.000032 -0.045463 -0.014492 1Rh 4px 0.089178 0.008538 -0.030296 0.157831 0.109344 -0.033177 1Rh 4py 0.192767 -0.030541 -0.017507 -0.010488 0.043267 0.203573 1Rh 5pz -0.447522 0.243211 -0.090096 -0.020033 0.037200 0.019075 1Rh 5px -0.141884 -0.016123 0.038190 -0.169637 -0.102566 0.044964 1Rh 5py -0.284635 0.054814 0.027581 0.024043 -0.058302 -0.308697 1Rh 6pz -1.050877 0.796738 0.218785 0.471867 0.157949 0.234072 1Rh 6px -0.081563 0.214407 0.127161 -1.005348 -1.082354 0.209149 1Rh 6py -0.914588 -0.157324 0.016734 -0.325576 -0.336861 -0.475004 1Rh 1dz2 -0.012086 -0.004714 -0.003581 -0.000970 0.000983 0.013096 1Rh 1dxz 0.015427 -0.006895 0.003014 -0.009595 0.019356 0.002451 1Rh 1dyz -0.013247 -0.007010 -0.005251 -0.034176 0.023437 0.042492 1Rh 1dx2y2 -0.005207 0.001056 -0.005940 -0.023227 0.001369 0.001371 1Rh 1dxy 0.009917 -0.000226 -0.009001 0.000656 0.015591 0.022987 1Rh 2dz2 0.003440 0.000181 0.002815 -0.000225 -0.002205 -0.003383 1Rh 2dxz -0.004558 0.001030 0.000115 -0.001148 -0.003464 -0.000446 1Rh 2dyz 0.003706 0.001302 0.001772 0.005656 -0.004750 -0.010506 1Rh 2dx2y2 0.001452 0.002261 0.000235 0.005808 0.002133 -0.000252 1Rh 2dxy -0.001626 0.001490 0.001318 0.001956 -0.001617 -0.006384 1Rh 3dz2 0.012689 0.010053 -0.003921 0.003284 0.007648 -0.015178 1Rh 3dxz -0.015505 0.011378 -0.007360 0.027176 -0.029199 -0.003596 1Rh 3dyz 0.014182 0.010298 0.004233 0.053587 -0.032855 -0.051628 1Rh 3dx2y2 0.005618 -0.012091 0.012639 0.027670 -0.012724 -0.002075 1Rh 3dxy -0.015602 -0.005900 0.014841 -0.010267 -0.028877 -0.025020 1Rh 4dz2 0.059393 0.005935 0.041628 -0.004401 -0.038591 -0.060813 1Rh 4dxz -0.078607 0.019680 -0.001874 -0.014300 -0.068078 -0.009508 1Rh 4dyz 0.064475 0.025900 0.030675 0.111063 -0.091264 -0.188835 1Rh 4dx2y2 0.025625 0.030140 0.007346 0.110471 0.036331 -0.005310 1Rh 4dxy -0.032583 0.021030 0.027379 0.032731 -0.032728 -0.111706 1Rh 5dz2 -0.216066 -0.018137 -0.156219 0.035460 0.248303 0.248399 1Rh 5dxz 0.276336 -0.048747 0.010828 0.166625 0.265810 0.047665 1Rh 5dyz -0.252805 -0.111021 -0.135438 -0.413397 0.389766 0.755841 1Rh 5dx2y2 -0.097459 -0.120470 -0.010323 -0.500493 -0.246523 0.035966 1Rh 5dxy 0.102201 -0.087611 -0.107400 -0.218437 0.060624 0.431662 1Rh 1f0 0.012023 -0.003730 -0.002175 0.008877 0.012886 0.012998 1Rh 1f+1 0.032831 0.002247 -0.001025 -0.020495 -0.007531 -0.025555 1Rh 1f-1 0.057878 -0.008553 -0.015040 0.005348 -0.027525 0.060242 1Rh 1f+2 -0.023711 0.039875 -0.019617 -0.028812 -0.012692 0.009396 1Rh 1f-2 0.042779 0.015963 -0.005720 -0.030844 -0.000614 -0.011702 1Rh 1f+3 0.010583 0.005483 -0.011377 -0.018769 -0.029112 -0.000677 1Rh 1f-3 0.008178 0.004592 -0.010300 -0.016480 -0.026948 0.034088 2C 1s -0.004061 -0.022790 0.019963 -0.000865 0.032855 -0.014484 2C 2s -0.014875 -0.072267 0.063054 -0.002680 0.102839 -0.045302 2C 3s 0.064020 0.681117 -0.630697 -0.012088 -0.999397 0.542477 2C 4s 0.219885 -1.602191 1.661502 0.131065 2.372509 -1.878511 2C 5s -0.118990 2.929673 -1.502521 0.511116 -3.083584 -0.842418 2C 1pz 0.138838 -0.128395 -0.081421 -0.001411 0.183916 -0.023957 2C 1px -0.217962 0.026544 -0.078585 -0.019361 -0.115531 0.036239 2C 1py -0.028088 0.119721 0.197440 0.081617 -0.024941 0.025045 2C 2pz -0.175645 0.370418 0.359199 0.107584 -0.581458 -0.340109 2C 2px 0.392647 0.073351 0.146310 0.018450 0.068255 -0.034329 2C 2py 0.138348 -0.302823 -0.502944 -0.158057 -0.071293 -0.396149 2C 3pz 0.092688 -0.059733 0.069940 0.171096 0.240222 -0.531683 2C 3px -0.408099 0.192391 -0.238830 0.018132 -0.191367 0.341834 2C 3py -0.080310 0.143867 0.239704 0.065017 0.049832 -0.309514 2C 1dz2 -0.016707 0.016319 -0.002527 0.003376 -0.022932 -0.004749 2C 1dxz 0.024778 -0.008159 -0.002659 0.005349 0.014425 0.005743 2C 1dyz 0.004690 0.003673 -0.008224 -0.004256 -0.005506 0.000079 2C 1dx2y2 0.008462 -0.006225 0.007352 0.001814 0.006833 -0.002421 2C 1dxy 0.021189 -0.003444 0.008564 0.003016 0.012409 0.002587 2C 2dz2 0.126116 -0.179391 -0.072583 -0.020528 0.068891 -0.109477 2C 2dxz -0.398444 0.008162 -0.218837 -0.085323 -0.310928 -0.210727 2C 2dyz 0.093771 -0.002031 0.079367 0.000039 -0.058389 -0.007859 2C 2dx2y2 0.186724 -0.146244 -0.197763 -0.033607 0.202983 0.139586 2C 2dxy -0.296283 0.286270 0.188985 0.042105 -0.311971 0.059044 2C 1f0 0.028739 -0.024643 -0.016110 -0.006028 0.033409 -0.004582 2C 1f+1 -0.004904 0.013545 -0.001638 0.002310 -0.012028 0.012489 2C 1f-1 0.014131 0.014056 0.000559 0.009334 -0.006909 -0.023463 2C 1f+2 -0.023883 0.005544 -0.015782 -0.008718 -0.029929 0.004599 2C 1f-2 0.001407 -0.013172 0.006231 0.002205 0.023307 -0.022744 2C 1f+3 -0.006063 0.019956 -0.031466 -0.002617 -0.042239 0.007149 2C 1f-3 0.018037 0.005615 -0.001690 0.001926 0.001470 0.024102 3C 1s -0.009667 -0.026203 0.018203 -0.020853 0.003094 0.017346 3C 2s -0.030600 -0.082606 0.058328 -0.066583 0.010084 0.053894 3C 3s 0.337804 0.795923 -0.539631 0.581220 -0.079437 -0.652243 3C 4s -1.085665 -1.939576 1.208977 -1.207553 0.198027 2.205875 3C 5s 0.190852 2.681955 -2.428104 1.347614 -0.518777 0.438885 3C 1pz -0.092286 -0.137538 -0.146013 -0.029380 -0.096910 0.019275 3C 1px -0.019706 -0.010841 -0.037295 -0.185828 -0.036076 0.027153 3C 1py -0.056407 -0.040947 -0.115028 -0.128331 -0.036707 -0.019532 3C 2pz 0.083562 0.336139 0.419093 0.221626 0.315917 0.311085 3C 2px 0.029589 0.099700 0.077455 0.342833 0.041863 0.128000 3C 2py 0.329085 0.131481 0.382954 0.164747 0.109941 -0.290082 3C 3pz -0.307522 -0.227440 -0.121986 -0.029965 -0.111725 0.490661 3C 3px 0.092292 0.118610 -0.063874 -0.294312 -0.089494 0.044928 3C 3py 0.130914 -0.082551 -0.008830 -0.013813 -0.019766 -0.344757 3C 1dz2 0.005393 0.008240 0.006866 -0.002404 0.001376 -0.001942 3C 1dxz 0.002159 0.003211 -0.001823 0.011810 0.001245 -0.007018 3C 1dyz -0.001739 -0.006379 0.007112 0.005559 0.002709 -0.002622 3C 1dx2y2 -0.002015 -0.011727 0.005491 0.008767 0.002023 -0.006473 3C 1dxy -0.002754 -0.000548 -0.002705 -0.027330 -0.004612 0.011483 3C 2dz2 0.010460 -0.036026 0.020351 0.119452 0.012153 0.013791 3C 2dxz -0.176742 -0.062635 -0.130198 -0.368377 -0.074605 0.205466 3C 2dyz 0.047948 0.162879 0.168604 -0.125249 0.079808 0.151551 3C 2dx2y2 -0.006570 -0.095334 -0.258850 -0.207191 -0.181004 -0.107165 3C 2dxy 0.020505 -0.107553 -0.118447 0.188861 -0.057699 -0.211349 3C 1f0 -0.005953 -0.025987 0.002670 -0.027321 -0.004194 -0.015388 3C 1f+1 0.006157 -0.010520 -0.002159 0.010268 -0.002438 -0.017797 3C 1f-1 0.000859 -0.004756 0.027513 -0.001448 0.007957 0.019970 3C 1f+2 0.013401 0.021781 -0.006060 -0.002943 0.003160 -0.037225 3C 1f-2 0.003607 0.011478 0.002279 0.005072 0.005312 -0.021638 3C 1f+3 -0.006575 0.005927 -0.017655 -0.004543 -0.010533 0.003653 3C 1f-3 -0.014012 -0.010640 0.006849 -0.030649 0.003858 0.019532 4C 1s -0.015065 -0.029438 0.019979 -0.005635 0.031730 0.004219 4C 2s -0.048019 -0.091739 0.062702 -0.017830 0.097942 0.012910 4C 3s 0.497643 1.077164 -0.830615 0.178290 -1.137618 0.150069 4C 4s -1.232880 -2.978255 2.459621 -0.360191 3.364002 -0.722175 4C 5s 1.424190 -0.703288 1.403976 -0.600169 0.651784 -2.542362 4C 1pz 0.125328 -0.182809 -0.216550 -0.099004 0.101643 -0.054291 4C 1px -0.342466 0.034074 -0.158912 -0.048439 -0.124536 -0.151892 4C 1py -0.038931 0.287769 0.362485 0.171876 -0.189729 0.071243 4C 2pz -0.629549 -0.226130 0.943192 0.118157 0.237770 -0.791870 4C 2px 1.433091 -0.311153 0.274479 0.187191 0.358623 0.728487 4C 2py 0.142101 -0.821845 -0.138719 -0.272902 0.594701 -0.423983 4C 3pz 0.229634 0.494340 0.497469 -0.064713 0.162018 -2.747177 4C 3px 1.504759 -0.633631 0.217459 0.214796 1.010315 -0.430375 4C 3py 0.653901 0.354257 0.705308 0.407638 0.203010 -1.693199 4C 1dz2 0.004011 0.000903 -0.009600 -0.003371 -0.003982 -0.008780 4C 1dxz 0.010098 0.003205 -0.009336 -0.002534 -0.005294 -0.005443 4C 1dyz 0.002260 -0.000689 0.011883 0.000110 0.000847 -0.017094 4C 1dx2y2 -0.005738 -0.018336 0.007745 -0.001458 0.019382 -0.001114 4C 1dxy 0.005150 -0.006638 0.005962 -0.002593 0.012686 -0.006843 4C 2dz2 0.199275 -0.049104 -0.208565 0.048104 0.301677 0.408454 4C 2dxz -0.457032 0.476951 -0.448621 -0.093688 -0.722614 0.732130 4C 2dyz -0.026699 -0.024827 0.003711 -0.045974 0.090191 0.095015 4C 2dx2y2 0.011220 -0.312969 0.521504 -0.027860 0.166231 -0.936710 4C 2dxy -0.251744 0.074264 0.097791 -0.105730 -0.302946 -0.254605 4C 1f0 0.010530 0.017182 -0.026323 0.004211 -0.019067 0.009164 4C 1f+1 0.017919 0.042337 -0.041453 0.003766 -0.042701 0.029993 4C 1f-1 -0.025095 -0.011658 0.012456 -0.007311 0.004587 -0.013297 4C 1f+2 -0.034639 -0.030381 0.028472 -0.009233 0.030527 -0.032915 4C 1f-2 0.018532 -0.012023 0.002701 -0.002239 0.009237 0.011638 4C 1f+3 -0.023677 -0.008293 0.004174 -0.009455 0.008639 -0.018593 4C 1f-3 -0.006869 0.050975 -0.032598 0.001708 -0.045018 0.011773 5C 1s -0.005383 -0.028403 0.024154 -0.030529 0.005794 -0.005845 5C 2s -0.017609 -0.088456 0.075698 -0.095478 0.018474 -0.018279 5C 3s 0.352210 1.088597 -0.882056 1.123375 -0.222136 -0.085289 5C 4s -1.110231 -3.087485 2.399136 -3.093521 0.527594 0.614234 5C 5s -1.525241 -1.385803 -0.047948 -0.808342 0.562359 2.523150 5C 1pz -0.096085 -0.276396 -0.333468 -0.095331 -0.096621 -0.107315 5C 1px -0.019558 0.028105 -0.120709 -0.202859 -0.012381 0.103600 5C 1py -0.047399 -0.177444 -0.236606 -0.190183 -0.071619 -0.066459 5C 2pz -0.062109 0.093471 0.656179 -0.200962 0.166854 0.549671 5C 2px -0.341867 -0.524076 0.676127 0.215063 0.200510 -0.004574 5C 2py 0.502949 0.856136 -0.050507 0.808633 -0.014008 -0.568858 5C 3pz -0.723116 0.003667 -0.706828 -0.747086 -0.054434 1.571996 5C 3px -0.641295 -0.488368 -0.135603 0.593816 0.393275 0.553369 5C 3py 1.128652 -0.099929 0.538445 0.539754 -0.063303 -2.711595 5C 1dz2 -0.001042 0.005877 -0.011061 0.003156 -0.006147 -0.005840 5C 1dxz 0.005699 0.005809 -0.010693 0.009399 -0.004197 0.003575 5C 1dyz 0.011495 0.012320 0.001019 0.013347 0.000177 -0.014351 5C 1dx2y2 -0.005369 -0.015118 0.005916 -0.010521 -0.005185 -0.007120 5C 1dxy 0.007089 0.000029 0.001084 -0.006254 0.000155 -0.007991 5C 2dz2 0.238213 0.218857 -0.160683 0.421358 -0.071417 -0.539681 5C 2dxz 0.377452 0.341292 -0.110126 -0.088629 -0.145258 -0.437663 5C 2dyz 0.050324 0.168409 -0.030035 -0.127010 -0.079611 0.022748 5C 2dx2y2 -0.587444 -0.437675 0.229113 -0.662885 0.023109 1.108276 5C 2dxy -0.020947 -0.242811 0.011445 0.546615 0.157590 0.081043 5C 1f0 0.008826 0.027571 -0.025883 0.035724 -0.006145 -0.022402 5C 1f+1 0.023852 0.040731 -0.040229 0.032476 -0.013401 -0.015807 5C 1f-1 0.000452 0.000738 0.007328 0.005644 0.002890 -0.000987 5C 1f+2 0.007482 0.012561 -0.010341 0.011541 -0.008114 -0.002649 5C 1f-2 -0.012205 -0.019305 0.013391 -0.032042 -0.001203 0.020281 5C 1f+3 0.017764 0.033684 -0.026716 0.027564 -0.012476 -0.021671 5C 1f-3 -0.022588 -0.051821 0.031657 -0.042374 0.007260 0.014183 6C 1s -0.005721 -0.028614 0.025679 0.029160 -0.006381 -0.005288 6C 2s -0.018649 -0.089138 0.080446 0.091217 -0.020264 -0.016466 6C 3s 0.363798 1.097902 -0.937631 -1.065587 0.227551 -0.109671 6C 4s -1.143768 -3.112600 2.555934 2.926405 -0.525370 0.682717 6C 5s -1.537103 -1.400897 -0.021374 0.706437 -0.454737 2.543630 6C 1pz 0.104452 0.273550 0.328872 -0.109610 -0.089305 0.120674 6C 1px 0.013252 -0.021007 0.111779 -0.208369 -0.022097 -0.109439 6C 1py 0.049951 0.178648 0.227563 -0.200697 -0.068261 0.071543 6C 2pz 0.046344 -0.080816 -0.666740 -0.158181 0.134091 -0.580879 6C 2px 0.366366 0.508906 -0.667612 0.258318 0.220282 0.007909 6C 2py -0.508206 -0.867676 0.090520 0.780414 0.014954 0.580563 6C 3pz 0.727000 0.003460 0.668061 -0.751574 -0.152586 -1.601058 6C 3px 0.670450 0.467769 0.160391 0.616283 0.377093 -0.545079 6C 3py -1.116763 0.089029 -0.512521 0.506911 0.090858 2.751794 6C 1dz2 -0.001003 0.005912 -0.011379 -0.002304 0.006135 -0.006501 6C 1dxz 0.005627 0.005997 -0.011210 -0.008997 0.004318 0.003226 6C 1dyz 0.011533 0.012521 0.000484 -0.012715 -0.000900 -0.014397 6C 1dx2y2 -0.005775 -0.015094 0.006545 0.010287 0.004839 -0.007408 6C 1dxy 0.007273 -0.000095 0.001484 0.006394 -0.000592 -0.007881 6C 2dz2 0.232650 0.230033 -0.180399 -0.398293 0.044459 -0.560269 6C 2dxz 0.387475 0.335726 -0.106371 0.111537 0.123896 -0.437437 6C 2dyz 0.059662 0.159973 -0.022757 0.132999 0.084173 0.029985 6C 2dx2y2 -0.576694 -0.457820 0.259084 0.620414 0.034988 1.135512 6C 2dxy -0.038328 -0.223038 -0.013225 -0.559126 -0.159884 0.063841 6C 1f0 -0.008816 -0.028036 0.027610 0.033625 -0.005097 0.023595 6C 1f+1 -0.024372 -0.041018 0.041721 0.029622 -0.013044 0.016740 6C 1f-1 -0.000208 -0.001037 -0.007090 0.006032 0.003106 0.001042 6C 1f+2 -0.007544 -0.012927 0.010799 0.010862 -0.008073 0.003375 6C 1f-2 0.012014 0.019996 -0.014995 -0.030791 -0.002495 -0.021081 6C 1f+3 -0.018042 -0.034015 0.028088 0.025255 -0.011922 0.022767 6C 1f-3 0.023315 0.052008 -0.033811 -0.039754 0.006992 -0.014809 7C 1s -0.016156 -0.028618 0.020487 0.004071 -0.031519 0.006036 7C 2s -0.051445 -0.089175 0.064280 0.012953 -0.097259 0.018515 7C 3s 0.539439 1.045182 -0.848942 -0.125503 1.143161 0.083652 7C 4s -1.347583 -2.889157 2.506837 0.216961 -3.394293 -0.513832 7C 5s 1.402649 -0.702725 1.429114 0.585816 -0.807315 -2.510365 7C 1pz -0.126785 0.186339 0.215117 -0.105916 0.111402 0.049683 7C 1px 0.342991 -0.031766 0.157082 -0.062663 -0.123253 0.155335 7C 1py 0.038045 -0.290959 -0.357201 0.183507 -0.200714 -0.060532 7C 2pz 0.656120 0.198146 -0.946297 0.139207 0.250671 0.778917 7C 2px -1.436770 0.306003 -0.267535 0.233766 0.360125 -0.740598 7C 2py -0.126797 0.813997 0.125251 -0.272531 0.629671 0.394853 7C 3pz -0.192067 -0.517655 -0.511705 -0.121769 0.271785 2.690819 7C 3px -1.492966 0.621026 -0.205847 0.236737 1.067101 0.399608 7C 3py -0.629961 -0.378721 -0.701820 0.391314 0.277419 1.678026 7C 1dz2 0.004173 0.000750 -0.009712 0.003973 0.003414 -0.008870 7C 1dxz 0.010464 0.002976 -0.009309 0.003004 0.004898 -0.005648 7C 1dyz 0.001928 -0.000484 0.011988 -0.000181 -0.001634 -0.017285 7C 1dx2y2 -0.006252 -0.017928 0.007788 0.000773 -0.019597 0.000265 7C 1dxy 0.005007 -0.006511 0.006050 0.002332 -0.012961 -0.006188 7C 2dz2 0.201870 -0.049233 -0.214773 -0.052378 -0.287151 0.415112 7C 2dxz -0.438205 0.456515 -0.442540 0.106508 0.761020 0.713439 7C 2dyz -0.029240 -0.024930 0.007411 0.043052 -0.087833 0.100620 7C 2dx2y2 -0.004059 -0.299288 0.527596 0.022308 -0.208918 -0.927146 7C 2dxy -0.255608 0.073140 0.105746 0.112509 0.298968 -0.254977 7C 1f0 -0.011518 -0.016542 0.027041 0.003078 -0.019526 -0.008067 7C 1f+1 -0.019706 -0.040872 0.042147 0.001927 -0.043851 -0.027421 7C 1f-1 0.025693 0.011169 -0.012936 -0.006970 0.004574 0.013164 7C 1f+2 0.036054 0.029124 -0.029258 -0.008496 0.031324 0.030782 7C 1f-2 -0.018474 0.011687 -0.002628 -0.001401 0.009138 -0.011873 7C 1f+3 0.024100 0.008134 -0.004659 -0.009715 0.008972 0.017764 7C 1f-3 0.005220 -0.049631 0.033233 -0.000470 -0.046161 -0.009334 8C 1s -0.009927 -0.026375 0.019335 0.019189 -0.002604 0.017965 8C 2s -0.031418 -0.083171 0.061945 0.061339 -0.008543 0.055890 8C 3s 0.345382 0.801336 -0.572551 -0.527975 0.057855 -0.670623 8C 4s -1.103142 -1.953240 1.280039 1.064726 -0.112771 2.249506 8C 5s 0.225777 2.693515 -2.494346 -1.183126 0.602088 0.428413 8C 1pz 0.095791 0.137456 0.144820 -0.033788 -0.097789 -0.007928 8C 1px 0.013961 0.016465 0.028824 -0.187647 -0.039928 -0.028664 8C 1py 0.054979 0.044139 0.111173 -0.134334 -0.038455 0.022781 8C 2pz -0.092732 -0.338110 -0.409756 0.245666 0.298658 -0.342823 8C 2px -0.023946 -0.106732 -0.062210 0.349589 0.039132 -0.129495 8C 2py -0.325780 -0.140530 -0.379800 0.174980 0.134329 0.280466 8C 3pz 0.303511 0.230113 0.120667 -0.020216 -0.137572 -0.481727 8C 3px -0.103767 -0.115233 0.050103 -0.301452 -0.096581 -0.042085 8C 3py -0.137402 0.085001 0.014431 -0.017726 0.001373 0.359765 8C 1dz2 0.005840 0.007925 0.007013 0.002375 -0.001408 -0.001259 8C 1dxz 0.001935 0.003438 -0.002512 -0.011531 -0.001563 -0.007358 8C 1dyz -0.002208 -0.005990 0.006887 -0.005876 -0.002913 -0.002769 8C 1dx2y2 -0.002520 -0.011300 0.005188 -0.009201 -0.002713 -0.007063 8C 1dxy -0.002019 -0.001492 -0.001442 0.027366 0.005537 0.012261 8C 2dz2 0.007352 -0.032265 0.014421 -0.119747 -0.013884 0.012286 8C 2dxz -0.169057 -0.077893 -0.119534 0.373061 0.094016 0.209636 8C 2dyz 0.053764 0.158153 0.173971 0.120027 -0.069499 0.169499 8C 2dx2y2 -0.003944 -0.099007 -0.248234 0.219739 0.174816 -0.118352 8C 2dxy 0.010652 -0.100878 -0.128837 -0.182191 0.044355 -0.229187 8C 1f0 0.006470 0.026378 -0.004068 -0.027014 -0.003216 0.015989 8C 1f+1 -0.005749 0.009233 0.002688 0.010426 -0.000924 0.019140 8C 1f-1 -0.001123 0.004594 -0.027725 0.000563 0.007411 -0.020931 8C 1f+2 -0.013819 -0.021537 0.006060 -0.004664 0.004577 0.036925 8C 1f-2 -0.003799 -0.011931 -0.001374 0.004424 0.005940 0.022020 8C 1f+3 0.006004 -0.005630 0.017702 -0.005169 -0.011149 -0.002939 8C 1f-3 0.013532 0.011378 -0.007931 -0.029993 0.002507 -0.020567 9C 1s -0.004793 -0.022079 0.020317 -0.000188 -0.033466 -0.012299 9C 2s -0.017238 -0.069965 0.064180 -0.000654 -0.104687 -0.038482 9C 3s 0.084697 0.659191 -0.639976 0.042800 1.023003 0.475171 9C 4s 0.174667 -1.548601 1.679556 -0.197870 -2.461496 -1.718265 9C 5s -0.098716 2.900274 -1.541500 -0.353596 3.090580 -1.010647 9C 1pz -0.140563 0.129175 0.083530 -0.001509 0.190191 0.014426 9C 1px 0.216083 -0.023222 0.078966 -0.024935 -0.119294 -0.034378 9C 1py 0.028144 -0.120848 -0.197485 0.088159 -0.029178 -0.029360 9C 2pz 0.179597 -0.376213 -0.361008 0.103880 -0.579130 0.379263 9C 2px -0.392508 -0.076571 -0.149423 0.028205 0.071554 0.033855 9C 2py -0.139355 0.303854 0.508880 -0.183164 -0.046394 0.411812 9C 3pz -0.085637 0.050539 -0.067892 0.164135 0.261561 0.519785 9C 3px 0.407175 -0.190128 0.240476 0.008774 -0.214656 -0.344155 9C 3py 0.088342 -0.152699 -0.238299 0.065689 0.057159 0.286094 9C 1dz2 -0.016545 0.016126 -0.002538 -0.002666 0.023244 -0.005606 9C 1dxz 0.024579 -0.007875 -0.003024 -0.005693 -0.014598 0.005879 9C 1dyz 0.004876 0.003434 -0.008239 0.004622 0.005408 -0.000472 9C 1dx2y2 0.008250 -0.006254 0.007006 -0.002158 -0.007212 -0.002174 9C 1dxy 0.021430 -0.003362 0.008448 -0.003687 -0.012837 0.002769 9C 2dz2 0.126136 -0.176765 -0.073645 0.021343 -0.079058 -0.111487 9C 2dxz -0.404113 0.008682 -0.216166 0.103795 0.310025 -0.222484 9C 2dyz 0.092682 -0.004928 0.072446 -0.001903 0.056877 -0.020301 9C 2dx2y2 0.190527 -0.156057 -0.209251 0.036211 -0.207412 0.149206 9C 2dxy -0.289072 0.282441 0.190799 -0.042981 0.319231 0.047116 9C 1f0 -0.028409 0.024902 0.016561 -0.006290 0.034537 0.002778 9C 1f+1 0.003733 -0.012549 0.001636 0.002169 -0.011805 -0.012019 9C 1f-1 -0.014639 -0.014140 -0.000047 0.008520 -0.006277 0.023429 9C 1f+2 0.024483 -0.006224 0.015936 -0.009708 -0.031904 -0.003096 9C 1f-2 -0.000842 0.012615 -0.005964 0.002128 0.023628 0.020281 9C 1f+3 0.006015 -0.018990 0.031806 -0.004415 -0.042403 -0.003782 9C 1f-3 -0.017977 -0.006233 0.003170 0.002255 -0.001100 -0.023917 10H 1s 0.012969 0.007936 -0.011588 -0.005269 0.001971 0.025591 10H 2s -0.601095 0.291666 -0.199877 -0.062750 -0.766293 -0.099980 10H 3s 0.301908 -0.704090 0.612165 -0.023463 0.959036 -0.441912 10H 1pz -0.071567 0.051495 -0.031791 -0.011824 -0.106244 -0.020418 10H 1px 0.093797 -0.052817 0.042241 0.006982 0.123016 -0.036892 10H 1py -0.098898 0.047724 -0.027398 -0.019097 -0.098504 -0.038946 11H 1s 0.031544 0.005001 0.006587 0.012148 0.008685 -0.021500 11H 2s 0.106377 0.506976 0.340340 0.092377 -0.398170 0.458341 11H 3s -0.066859 -0.751211 0.006746 -0.073420 0.824038 -0.075031 11H 1pz -0.041851 0.086167 0.023919 0.007633 -0.114156 0.067809 11H 1px 0.064269 0.044269 0.013854 0.018766 -0.024669 0.036081 11H 1py 0.019467 -0.055084 -0.021251 -0.016167 0.050087 -0.000626 12H 1s 0.028489 -0.002423 0.003034 0.001418 0.018131 -0.007227 12H 2s 0.374299 -0.298832 -0.672244 -0.182849 0.008670 0.131290 12H 3s -0.142447 -0.334504 0.644198 0.040787 0.628426 -0.006657 12H 1pz -0.026591 0.008498 0.018497 0.004341 -0.019250 -0.000179 12H 1px -0.023865 0.032086 -0.037867 -0.011061 -0.064509 -0.051675 12H 1py 0.080550 -0.030434 -0.120662 -0.028276 -0.011436 0.053994 13H 1s 0.014974 0.007454 -0.007861 -0.001999 -0.008112 -0.008072 13H 2s -0.046489 0.331538 0.019415 -0.239028 0.133140 0.102392 13H 3s -0.332266 -0.757265 0.405395 -0.236115 0.038476 0.383618 13H 1pz 0.021798 0.084139 -0.025443 -0.076835 -0.005462 0.020082 13H 1px -0.008941 -0.023969 0.002527 -0.018377 -0.018584 0.052690 13H 1py 0.009300 -0.036333 0.009051 0.002199 -0.007444 -0.012858 14H 1s -0.005953 0.003389 -0.007426 0.021685 -0.003304 -0.000844 14H 2s 0.314190 0.441836 0.295756 0.619704 0.263617 -0.270392 14H 3s -0.245548 -0.730676 0.262845 -0.618903 -0.036204 0.246287 14H 1pz 0.049410 0.031404 0.036040 0.132898 0.046544 -0.109464 14H 1px 0.041208 0.094185 0.002716 0.073564 0.017532 -0.000398 14H 1py 0.016591 0.003201 0.005962 0.030881 0.001708 -0.024716 15H 1s -0.008811 -0.002801 -0.009594 0.017146 -0.000176 0.034917 15H 2s -0.039849 -0.110224 -0.650310 -0.033412 -0.286125 -0.550562 15H 3s 0.005667 -0.265155 0.754080 -0.248787 0.259153 0.137566 15H 1pz 0.020765 -0.010211 0.064401 -0.010814 0.028438 0.015103 15H 1px -0.001809 -0.010031 -0.006726 0.078376 0.014780 -0.054224 15H 1py -0.005127 -0.012748 0.100848 0.021345 0.038784 0.087225 16H 1s -0.008558 -0.009406 -0.005359 0.001707 -0.004880 0.063179 16H 2s -0.113885 0.042694 0.041033 0.076428 0.150151 -0.349707 16H 3s -0.096700 0.054920 -0.099156 0.156972 0.013983 0.137688 16H 1pz 0.023855 -0.010438 0.000267 0.001548 0.008181 -0.044900 16H 1px -0.079219 0.002656 0.026489 -0.012290 0.118249 0.004674 16H 1py -0.008511 0.027958 0.029813 -0.035198 0.038718 -0.046421 17H 1s -0.010349 0.012306 0.002590 -0.014079 -0.013584 -0.060903 17H 2s -0.031241 -0.117339 -0.029732 0.254536 0.077813 0.268598 17H 3s 0.040173 0.057787 -0.002613 0.048044 0.129088 -0.174675 17H 1pz 0.024995 0.015060 -0.007452 -0.092849 -0.000879 0.002677 17H 1px -0.013859 -0.024943 0.005866 0.079646 -0.031004 -0.053340 17H 1py 0.026399 -0.036343 -0.004749 0.044392 -0.028659 0.074798 18H 1s -0.011102 0.012604 0.003161 0.014838 0.012684 -0.059362 18H 2s -0.027561 -0.114668 -0.040858 -0.262571 -0.070003 0.255452 18H 3s 0.037858 0.060478 -0.006682 -0.045815 -0.135887 -0.170091 18H 1pz -0.020690 -0.016361 0.003031 -0.094518 -0.000761 -0.004025 18H 1px 0.012094 0.024739 -0.001556 0.080183 -0.029776 0.055269 18H 1py -0.026056 0.036006 0.007292 0.044136 -0.031083 -0.071822 19H 1s -0.010805 -0.007496 -0.005655 -0.003583 0.007099 0.064130 19H 2s -0.105948 0.037207 0.037741 -0.073732 -0.156915 -0.352511 19H 3s -0.102851 0.063225 -0.104964 -0.155680 -0.005907 0.130149 19H 1pz -0.025270 0.011871 0.000263 0.001026 0.009645 0.045589 19H 1px 0.086265 -0.006463 -0.027177 -0.009412 0.115481 -0.009398 19H 1py 0.008602 -0.025998 -0.031311 -0.034728 0.040882 0.042964 20H 1s -0.008811 -0.002456 -0.010346 -0.017863 0.001684 0.034753 20H 2s -0.045551 -0.111775 -0.653761 0.073374 0.262350 -0.588596 20H 3s -0.002266 -0.265025 0.770923 0.206369 -0.261517 0.163760 20H 1pz -0.021064 0.010029 -0.065612 -0.006739 0.029023 -0.018800 20H 1px 0.003844 0.007249 0.011000 0.076298 0.017898 0.055905 20H 1py 0.005007 0.012145 -0.100540 0.028242 0.035811 -0.091335 21H 1s -0.006493 0.003869 -0.008394 -0.021430 0.003279 -0.001504 21H 2s 0.312347 0.458341 0.269243 -0.623740 -0.282123 -0.262575 21H 3s -0.248330 -0.738607 0.291064 0.587966 0.041117 0.240556 21H 1pz -0.047944 -0.036332 -0.029911 0.131657 0.053549 0.110547 21H 1px -0.041667 -0.095168 0.000869 0.071857 0.016948 -0.001933 21H 1py -0.015923 -0.004532 -0.004989 0.030696 0.003768 0.024265 22H 1s 0.015251 0.007228 -0.007716 0.002626 0.007299 -0.008807 22H 2s -0.032158 0.317354 0.022763 0.246297 -0.113130 0.124752 22H 3s -0.344677 -0.757624 0.421744 0.191052 -0.033369 0.385895 22H 1pz -0.025371 -0.080135 0.022680 -0.079347 -0.009197 -0.024982 22H 1px 0.009973 0.024353 -0.004306 -0.015571 -0.020229 -0.053045 22H 1py -0.007405 0.035372 -0.009773 0.004364 -0.005208 0.014526 23H 1s 0.028927 -0.002720 0.003256 -0.001679 -0.019042 -0.006816 23H 2s 0.374784 -0.307986 -0.685549 0.201501 -0.016577 0.120571 23H 3s -0.153099 -0.316646 0.655106 -0.077722 -0.627701 0.045147 23H 1pz 0.027100 -0.008507 -0.019298 0.004351 -0.019527 -0.000195 23H 1px 0.021181 -0.030459 0.036227 -0.013560 -0.060333 0.053238 23H 1py -0.078296 0.030764 0.123740 -0.032010 -0.013833 -0.047776 24H 1s 0.032099 0.004716 0.005796 -0.011779 -0.010379 -0.019971 24H 2s 0.117296 0.501089 0.342275 -0.108513 0.420481 0.422718 24H 3s -0.079210 -0.738935 0.015699 0.056773 -0.835379 -0.024774 24H 1pz 0.038279 -0.083659 -0.023741 0.008400 -0.116827 -0.060338 24H 1px -0.061015 -0.046967 -0.013400 0.019450 -0.029809 -0.030605 24H 1py -0.017423 0.053321 0.021659 -0.015743 0.048973 0.000349 25H 1s 0.013898 0.006943 -0.011448 0.005175 -0.001461 0.026728 25H 2s -0.602917 0.293384 -0.191758 0.085728 0.776168 -0.144213 25H 3s 0.291867 -0.692893 0.617264 -0.012003 -0.990308 -0.388694 25H 1pz 0.074950 -0.052685 0.031232 -0.015953 -0.110043 0.026657 25H 1px -0.092645 0.051373 -0.042007 0.010035 0.126283 0.029869 25H 1py 0.093906 -0.045035 0.025577 -0.021731 -0.095263 0.043086 26O 1s -0.003537 0.001849 -0.000559 0.002884 -0.012027 0.000490 26O 2s -0.008561 0.007017 -0.002807 0.008718 -0.029976 0.002265 26O 3s 0.009599 -0.076370 0.051970 -0.045012 0.061752 -0.036754 26O 4s 0.280373 0.182845 -0.198274 0.112175 0.443575 0.252577 26O 5s -1.685523 1.185117 -1.596896 0.000176 -2.163848 1.572806 26O 1pz 0.006725 -0.012274 -0.006596 -0.029121 0.036672 -0.052386 26O 1px -0.039885 0.054094 -0.019020 0.006472 -0.060152 -0.062141 26O 1py -0.032605 0.034343 0.031666 0.000223 -0.023585 -0.041874 26O 2pz -0.001279 -0.036511 0.028761 -0.020430 0.095007 -0.152249 26O 2px -0.062416 -0.190161 0.225791 -0.100191 0.055867 -0.203216 26O 2py -0.033669 -0.036059 0.173957 -0.021016 0.045676 -0.150589 26O 3pz 0.848392 -0.438625 0.243765 0.129599 0.418245 -0.017222 26O 3px 1.035204 -0.809392 0.647861 0.229348 1.141278 -0.318841 26O 3py 0.926221 -0.719054 0.306636 0.162198 0.751156 -0.205331 26O 1dz2 0.000967 -0.001668 -0.001663 0.000940 -0.000572 0.003318 26O 1dxz 0.008498 -0.004643 0.000455 0.001490 0.004366 -0.003301 26O 1dyz 0.005471 -0.003917 0.001284 0.002114 0.001008 0.002181 26O 1dx2y2 -0.001175 0.000072 -0.003231 -0.000897 0.000978 -0.001174 26O 1dxy 0.004957 -0.000795 0.004707 0.003866 0.001124 -0.001462 26O 2dz2 0.004173 -0.118160 0.090805 0.014705 0.134131 0.014971 26O 2dxz 0.045580 0.035632 -0.046792 -0.026116 -0.085406 0.046468 26O 2dyz -0.016983 -0.014199 -0.002860 0.029728 0.113045 0.006368 26O 2dx2y2 -0.137328 0.056174 -0.042891 0.004258 -0.049147 -0.038507 26O 2dxy -0.101973 0.078855 -0.033070 -0.021813 -0.083235 0.026552 26O 1f0 -0.002946 0.004754 0.000108 0.000203 -0.004003 0.002516 26O 1f+1 -0.005733 0.011449 -0.008131 -0.000310 -0.012068 -0.001880 26O 1f-1 -0.003086 0.004667 -0.006180 -0.000976 -0.003820 -0.001795 26O 1f+2 0.003557 -0.008605 0.001091 -0.001593 0.006551 -0.003989 26O 1f-2 0.001826 -0.001675 -0.001502 -0.002545 0.001815 -0.001466 26O 1f+3 -0.001598 0.009082 0.004888 0.002616 -0.006660 -0.000838 26O 1f-3 -0.008408 0.011632 -0.011317 0.000655 -0.013703 -0.002713 27O 1s -0.002652 -0.000460 0.001477 -0.006810 0.000919 0.003250 27O 2s -0.005386 0.001501 0.001148 -0.014730 0.002960 0.006581 27O 3s -0.037833 -0.082987 0.069808 -0.051721 -0.011410 0.046826 27O 4s 0.353844 0.407981 -0.393554 0.643091 0.054156 -0.550118 27O 5s 1.449091 1.442162 -0.642953 1.054226 -0.661296 -1.835078 27O 1pz -0.021044 -0.011204 -0.024128 0.025129 -0.010835 -0.022784 27O 1px -0.026202 0.028150 -0.034087 -0.027561 -0.006832 0.091553 27O 1py -0.019224 -0.011778 0.004244 -0.053689 0.013663 -0.037899 27O 2pz -0.021414 -0.010686 -0.067304 0.036567 -0.006900 0.035441 27O 2px -0.323645 -0.344239 0.278013 -0.542964 0.006014 0.466759 27O 2py 0.094172 0.058486 -0.084835 0.043620 -0.011934 -0.207524 27O 3pz -0.111944 -0.186512 0.125756 0.430739 0.104484 -0.090290 27O 3px -0.578631 -1.041767 0.506263 0.229414 0.508334 0.286211 27O 3py 0.176827 0.633385 -0.152375 -0.602116 -0.206719 0.093493 27O 1dz2 0.000303 0.001466 -0.000932 -0.000068 -0.002883 -0.001734 27O 1dxz -0.003523 -0.003400 -0.002103 0.002094 0.000826 -0.001767 27O 1dyz -0.000046 0.000230 -0.000059 0.001256 -0.000809 0.005584 27O 1dx2y2 -0.004516 -0.002143 -0.000772 -0.002666 -0.001372 0.005031 27O 1dxy 0.001292 0.001748 -0.003174 -0.006165 -0.002944 -0.001501 27O 2dz2 0.046936 -0.063281 0.029777 0.003622 0.038491 0.105919 27O 2dxz 0.001723 -0.018089 -0.007915 -0.001543 -0.052355 -0.026405 27O 2dyz -0.017040 0.067028 -0.033470 0.067721 -0.080728 -0.024282 27O 2dx2y2 0.124552 0.138809 -0.130987 0.059650 -0.028053 -0.010916 27O 2dxy -0.048641 -0.076758 0.058975 -0.040089 0.023417 0.028039 27O 1f0 0.001432 0.002103 0.005403 -0.001501 0.001800 -0.000590 27O 1f+1 0.005247 0.011333 -0.007268 0.005572 -0.000793 0.000239 27O 1f-1 -0.002430 -0.000414 0.002469 0.000187 -0.000480 -0.001116 27O 1f+2 -0.000357 -0.003113 -0.005713 -0.001971 -0.001473 -0.001810 27O 1f-2 -0.001553 -0.001874 0.005448 0.000430 0.003674 0.000145 27O 1f+3 0.004843 0.015690 -0.007819 0.010158 -0.001862 0.002351 27O 1f-3 -0.002657 -0.006874 0.010385 -0.001419 0.003504 0.002868 28O 1s 0.004247 -0.004855 0.003046 -0.002181 0.005316 -0.001446 28O 2s 0.013232 -0.010173 0.005572 -0.006549 0.011698 -0.001161 28O 3s -0.082430 -0.048492 0.058316 0.028138 0.042846 -0.082489 28O 4s 0.017747 0.549520 -0.475099 -0.075111 -0.520598 0.546375 28O 5s 0.846895 0.299412 -1.202519 0.365041 -0.938195 2.738862 28O 1pz 0.073541 -0.003794 0.003176 0.021587 -0.013632 -0.037575 28O 1px -0.091108 0.009483 -0.005676 -0.003251 -0.044633 0.034882 28O 1py 0.022203 0.019584 -0.001245 0.028552 -0.025620 -0.003226 28O 2pz 0.005714 -0.238906 0.231365 0.032666 0.295735 -0.405347 28O 2px 0.037617 0.282991 -0.286886 -0.029380 -0.410516 0.373219 28O 2py 0.029277 -0.015170 0.064061 0.032328 0.014284 -0.093096 28O 3pz -1.397169 0.076274 0.527556 -0.400034 -0.688934 -0.977522 28O 3px 0.630785 0.168585 -0.484002 0.247051 -0.188124 0.658624 28O 3py -0.584663 0.168002 0.190196 -0.132153 -0.473521 -0.284220 28O 1dz2 -0.007317 0.001234 -0.000675 -0.001992 -0.004823 -0.004009 28O 1dxz 0.001284 0.000659 -0.002287 0.001317 0.000092 0.007255 28O 1dyz -0.005795 0.003415 0.000417 -0.002051 -0.002866 0.000870 28O 1dx2y2 0.003026 -0.001794 0.001875 0.001683 0.003917 -0.000346 28O 1dxy 0.001073 -0.002643 -0.003038 -0.001499 0.003784 0.003504 28O 2dz2 0.007237 0.034554 -0.033954 0.025712 0.015562 0.000544 28O 2dxz -0.137505 -0.079539 0.087417 -0.056767 0.096390 -0.172423 28O 2dyz 0.012310 -0.051889 0.033861 -0.051128 0.071532 0.036014 28O 2dx2y2 0.130990 0.010864 -0.071404 -0.048727 -0.000414 0.106073 28O 2dxy -0.032518 -0.076552 0.067653 -0.041839 0.049253 0.011143 28O 1f0 0.007360 0.003826 -0.005863 0.000413 -0.003931 0.004779 28O 1f+1 0.011561 0.007363 -0.001283 0.002598 -0.004649 0.008675 28O 1f-1 0.002172 0.001631 0.000037 0.002121 -0.001419 -0.000137 28O 1f+2 -0.017208 -0.006761 0.008954 -0.002707 0.009248 -0.007939 28O 1f-2 0.003551 -0.002846 -0.005983 -0.002886 0.000254 0.000735 28O 1f+3 -0.006617 -0.003255 0.004388 0.000386 0.004667 -0.003474 28O 1f-3 0.004598 -0.001184 -0.007274 0.000513 0.002132 0.001947 29O 1s 0.002427 0.003962 -0.002764 0.002938 0.003381 0.000665 29O 2s 0.005862 0.011622 -0.008261 0.006983 0.008032 0.001522 29O 3s 0.001382 -0.045620 0.034785 -0.001922 -0.000981 0.002152 29O 4s -0.147012 0.000860 -0.018654 -0.118845 -0.162845 -0.051487 29O 5s 0.327097 -0.019625 0.071573 0.205609 0.353273 0.141874 29O 1pz -0.022965 -0.013389 0.010601 0.011922 -0.012935 0.010537 29O 1px 0.016859 0.046298 -0.038905 0.007599 -0.003368 0.005410 29O 1py -0.023253 0.005100 0.001252 -0.026467 -0.022878 -0.017432 29O 2pz 0.021169 0.005522 0.014696 -0.023939 -0.016691 -0.145223 29O 2px 0.009546 0.024892 -0.008952 0.006232 0.009688 -0.053885 29O 2py 0.026262 -0.004053 0.001685 -0.008918 -0.003345 0.021037 29O 3pz -0.149791 0.134167 0.012361 0.030919 0.224725 -0.040656 29O 3px -0.041373 -0.034473 0.069342 -0.358040 -0.254798 0.002390 29O 3py -0.136172 -0.040052 -0.021133 0.238231 0.145062 -0.054967 29O 1dz2 0.000528 0.000817 0.000226 -0.003616 0.000859 0.000202 29O 1dxz 0.002274 -0.000497 -0.001031 0.001264 -0.005169 0.001348 29O 1dyz 0.000291 -0.000555 -0.000336 0.001825 -0.000539 -0.000657 29O 1dx2y2 -0.000816 -0.000815 0.000550 0.003071 -0.000156 0.000094 29O 1dxy 0.000798 -0.000172 0.000296 -0.002280 -0.001646 0.000057 29O 2dz2 0.022691 -0.020784 0.025885 -0.077650 0.001387 0.077985 29O 2dxz -0.030519 0.012288 -0.026527 -0.006947 -0.126380 -0.042818 29O 2dyz -0.010153 -0.045275 -0.029755 0.089280 -0.029375 0.171864 29O 2dx2y2 -0.004732 -0.010068 0.005560 0.053777 0.006889 0.012272 29O 2dxy 0.021296 0.016254 -0.032631 -0.015803 -0.042505 0.056942 29O 1f0 0.000739 -0.000734 0.000955 0.000942 0.001896 -0.000656 29O 1f+1 -0.000722 0.001095 -0.000447 -0.001533 0.000078 -0.001689 29O 1f-1 0.001439 0.001318 0.000215 -0.001070 0.000766 -0.005603 29O 1f+2 0.000080 0.000493 -0.001318 0.000109 -0.001767 0.003155 29O 1f-2 0.001094 -0.001220 -0.000471 0.003068 0.000973 0.007771 29O 1f+3 0.000213 0.001221 -0.000910 -0.001469 -0.000238 -0.002480 29O 1f-3 -0.001257 0.000776 -0.000016 0.000259 0.000686 -0.004114 30O 1s 0.000633 -0.002141 0.001100 0.011722 -0.001363 -0.002002 30O 2s 0.002556 -0.003386 0.000866 0.029941 -0.005081 -0.006578 30O 3s -0.034996 -0.058329 0.047305 -0.077949 0.046116 0.060317 30O 4s 0.147871 0.429373 -0.292915 -0.324735 -0.204473 -0.196956 30O 5s 1.211772 0.910458 0.158568 2.123062 -0.077168 -2.376747 30O 1pz 0.000721 -0.010170 -0.021096 0.016908 0.021143 0.038911 30O 1px -0.003126 -0.000793 0.020706 -0.079989 0.020182 0.009096 30O 1py 0.042666 0.004486 -0.004202 -0.000656 -0.010433 -0.037772 30O 2pz -0.115560 -0.192235 0.043210 -0.083872 0.083986 0.157143 30O 2px 0.102544 0.234351 -0.099992 0.004414 -0.096830 -0.118315 30O 2py 0.140502 0.172558 -0.089159 0.104919 -0.089214 -0.215904 30O 3pz -0.149461 -0.247531 0.067921 -0.895266 -0.188488 0.745663 30O 3px 0.268973 0.272815 -0.126233 0.699550 0.066048 -0.507234 30O 3py 0.311600 0.174328 -0.097995 1.073359 0.268346 -0.961589 30O 1dz2 0.001241 -0.001857 -0.002527 -0.002159 -0.000758 0.002631 30O 1dxz 0.000680 0.001983 0.002405 0.001886 -0.000647 -0.001344 30O 1dyz 0.001113 -0.000337 0.000485 0.001854 0.003603 -0.004914 30O 1dx2y2 0.003071 -0.001839 -0.000418 0.003297 0.000816 -0.005018 30O 1dxy -0.002293 -0.000024 0.000344 -0.002011 -0.000771 0.005515 30O 2dz2 -0.026317 0.028907 -0.041822 0.065431 0.007992 -0.023747 30O 2dxz -0.070731 -0.062375 0.032090 -0.114870 0.008684 0.007999 30O 2dyz 0.010734 -0.007944 -0.016533 0.022106 0.008880 0.112982 30O 2dx2y2 -0.038613 -0.029440 0.032410 -0.028893 -0.008639 -0.077741 30O 2dxy 0.005454 0.091327 -0.061076 0.172429 0.037766 -0.088371 30O 1f0 0.000213 0.003253 -0.002562 0.007381 -0.001598 -0.001998 30O 1f+1 0.003160 0.006649 0.004016 0.007596 0.002478 -0.001911 30O 1f-1 0.002934 0.001125 0.003164 0.001424 -0.000781 0.000628 30O 1f+2 -0.001965 -0.005573 0.000766 -0.005728 -0.001577 0.000200 30O 1f-2 -0.003459 -0.008710 0.004174 -0.014080 0.001121 0.005806 30O 1f+3 0.002682 0.001443 -0.005493 0.005480 -0.001622 -0.005195 30O 1f-3 -0.002910 -0.005501 0.007521 -0.011041 0.001499 0.004974 31O 1s 0.000294 -0.001847 0.000599 -0.011831 0.001201 -0.002518 31O 2s 0.001682 -0.002632 -0.000403 -0.030064 0.004591 -0.007940 31O 3s -0.033523 -0.059903 0.050597 0.073681 -0.042810 0.064228 31O 4s 0.160608 0.418837 -0.278505 0.354190 0.198214 -0.187075 31O 5s 1.199052 0.944817 0.060791 -2.065941 -0.054231 -2.446231 31O 1pz -0.000751 0.009710 0.021799 0.017402 0.020299 -0.040041 31O 1px 0.000884 0.003522 -0.024227 -0.079178 0.019071 -0.013189 31O 1py -0.041578 -0.004961 0.003759 -0.002086 -0.008563 0.038581 31O 2pz 0.119158 0.190764 -0.047905 -0.074100 0.077271 -0.160263 31O 2px -0.109327 -0.229735 0.100544 -0.008167 -0.092222 0.117077 31O 2py -0.142242 -0.172581 0.093860 0.091688 -0.078886 0.220483 31O 3pz 0.127745 0.277697 -0.108866 -0.872274 -0.233219 -0.769958 31O 3px -0.260606 -0.291702 0.160547 0.680556 0.095149 0.529895 31O 3py -0.282741 -0.212544 0.150647 1.048470 0.329386 0.994504 31O 1dz2 0.001271 -0.001893 -0.002416 0.002168 0.000828 0.002628 31O 1dxz 0.000732 0.001969 0.002280 -0.001894 0.000599 -0.001411 31O 1dyz 0.001008 -0.000211 0.000395 -0.001839 -0.003940 -0.004924 31O 1dx2y2 0.002928 -0.001686 -0.000563 -0.003277 -0.001232 -0.005226 31O 1dxy -0.002184 -0.000110 0.000454 0.001834 0.001086 0.005595 31O 2dz2 -0.025576 0.029271 -0.044525 -0.062279 -0.007498 -0.024163 31O 2dxz -0.070872 -0.064165 0.038002 0.112702 -0.006063 0.011166 31O 2dyz 0.013270 -0.009011 -0.018182 -0.024396 -0.003600 0.113471 31O 2dx2y2 -0.040344 -0.028365 0.033980 0.028938 0.004644 -0.077921 31O 2dxy 0.004713 0.093952 -0.070196 -0.166161 -0.040805 -0.090896 31O 1f0 -0.000162 -0.003355 0.002934 0.007156 -0.001476 0.002185 31O 1f+1 -0.003175 -0.006771 -0.003681 0.007667 0.002573 0.001827 31O 1f-1 -0.003008 -0.001079 -0.003060 0.001593 -0.000766 -0.000643 31O 1f+2 0.002035 0.005628 -0.001065 -0.005655 -0.001596 -0.000196 31O 1f-2 0.003342 0.008991 -0.004845 -0.013663 0.000768 -0.006148 31O 1f+3 -0.002561 -0.001590 0.005737 0.005085 -0.001310 0.005523 31O 1f-3 0.002858 0.005658 -0.008102 -0.010533 0.001206 -0.005384 32O 1s 0.002214 0.004191 -0.002907 -0.002756 -0.003355 0.000663 32O 2s 0.005306 0.012204 -0.008609 -0.006469 -0.007931 0.001576 32O 3s 0.002852 -0.046769 0.035068 0.000325 0.000090 0.000663 32O 4s -0.140224 -0.007988 -0.013950 0.116234 0.165951 -0.045412 32O 5s 0.292559 0.016710 0.063495 -0.202035 -0.358877 0.137851 32O 1pz 0.021942 0.013652 -0.009504 0.012986 -0.013052 -0.010228 32O 1px -0.017578 -0.046103 0.039453 0.005139 -0.003486 -0.004785 32O 1py 0.022561 -0.004384 -0.002737 -0.026773 -0.022335 0.017236 32O 2pz -0.024382 -0.002551 -0.015423 -0.026208 -0.012014 0.145242 32O 2px -0.008085 -0.026197 0.009614 0.004544 0.011288 0.052140 32O 2py -0.028880 0.005702 -0.002658 -0.010006 -0.003014 -0.015774 32O 3pz 0.157376 -0.143303 -0.013464 0.024181 0.216622 0.036001 32O 3px 0.026507 0.054430 -0.086048 -0.357730 -0.256953 -0.011808 32O 3py 0.139203 0.033440 0.032104 0.240384 0.145636 0.061333 32O 1dz2 0.000428 0.000826 0.000400 0.003629 -0.000805 0.000425 32O 1dxz 0.002413 -0.000583 -0.001105 -0.001283 0.005152 0.001128 32O 1dyz 0.000335 -0.000518 -0.000409 -0.001743 0.000549 -0.000745 32O 1dx2y2 -0.000814 -0.000832 0.000374 -0.003124 0.000144 0.000077 32O 1dxy 0.000874 -0.000292 0.000369 0.002249 0.001698 0.000120 32O 2dz2 0.018298 -0.017820 0.030021 0.077815 -0.000459 0.077593 32O 2dxz -0.028460 0.010512 -0.025698 0.009957 0.125188 -0.048608 32O 2dyz -0.009082 -0.043810 -0.032905 -0.090448 0.035742 0.171053 32O 2dx2y2 -0.004304 -0.010597 0.003489 -0.051869 -0.007194 0.007952 32O 2dxy 0.023599 0.015669 -0.031531 0.017573 0.045342 0.051438 32O 1f0 -0.000784 0.000943 -0.000910 0.000979 0.001933 0.000458 32O 1f+1 0.000865 -0.001196 0.000369 -0.001672 0.000030 0.001787 32O 1f-1 -0.001702 -0.001115 -0.000285 -0.001225 0.001019 0.005621 32O 1f+2 0.000149 -0.000615 0.001308 0.000158 -0.001902 -0.003103 32O 1f-2 -0.001114 0.001194 0.000598 0.003193 0.000810 -0.007670 32O 1f+3 -0.000173 -0.001265 0.000858 -0.001454 -0.000209 0.002067 32O 1f-3 0.001277 -0.000817 0.000001 0.000180 0.000772 0.004122 33O 1s 0.004487 -0.004973 0.003098 0.001959 -0.005550 -0.001304 33O 2s 0.013977 -0.010594 0.005755 0.006041 -0.012235 -0.000768 33O 3s -0.087589 -0.044380 0.057501 -0.029021 -0.044408 -0.082205 33O 4s 0.031732 0.533373 -0.471570 0.093421 0.546719 0.539847 33O 5s 0.915851 0.253901 -1.233670 -0.386080 1.027458 2.651191 33O 1pz -0.072357 0.002761 -0.002085 0.021296 -0.010399 0.039782 33O 1px 0.091307 -0.009094 0.005128 -0.003269 -0.047440 -0.033710 33O 1py -0.021895 -0.019823 0.002702 0.028286 -0.025431 0.004809 33O 2pz 0.008389 0.225674 -0.232156 0.037200 0.312927 0.393531 33O 2px -0.052041 -0.269782 0.286879 -0.037730 -0.425999 -0.359388 33O 2py -0.025780 0.012334 -0.063689 0.033293 0.018437 0.092348 33O 3pz 1.395101 -0.062446 -0.548395 -0.413293 -0.673261 0.976344 33O 3px -0.643936 -0.165704 0.502036 0.244305 -0.202560 -0.622882 33O 3py 0.581397 -0.160358 -0.197734 -0.140314 -0.476333 0.301454 33O 1dz2 -0.007217 0.001148 -0.000590 0.002198 0.004714 -0.004112 33O 1dxz 0.001389 0.000609 -0.002350 -0.001426 0.000170 0.007190 33O 1dyz -0.005701 0.003317 0.000494 0.002141 0.003093 0.000822 33O 1dx2y2 0.002985 -0.001730 0.001804 -0.001812 -0.004010 -0.000182 33O 1dxy 0.001111 -0.002696 -0.002980 0.001467 -0.003746 0.003688 33O 2dz2 0.007552 0.033788 -0.034547 -0.023578 -0.014307 0.001640 33O 2dxz -0.142409 -0.076241 0.091348 0.056494 -0.100141 -0.164492 33O 2dyz 0.010932 -0.050606 0.037303 0.047082 -0.070984 0.043299 33O 2dx2y2 0.132837 0.008934 -0.070028 0.047812 0.003248 0.107043 33O 2dxy -0.034864 -0.074814 0.071883 0.037517 -0.049983 0.017006 33O 1f0 -0.007636 -0.003632 0.005902 0.000227 -0.003992 -0.004504 33O 1f+1 -0.011845 -0.007168 0.001381 0.002703 -0.004901 -0.008315 33O 1f-1 -0.002133 -0.001673 0.000020 0.002099 -0.001400 0.000230 33O 1f+2 0.017693 0.006427 -0.009201 -0.002503 0.009267 0.007371 33O 1f-2 -0.003705 0.002943 0.005881 -0.003044 0.000344 -0.000834 33O 1f+3 0.006871 0.003074 -0.004440 0.000499 0.004695 0.003207 33O 1f-3 -0.004766 0.001298 0.007417 0.000288 0.002184 -0.002019 34O 1s -0.002228 -0.000812 0.001769 0.006713 -0.000694 0.003646 34O 2s -0.004304 0.000661 0.001770 0.014688 -0.002434 0.007514 34O 3s -0.039990 -0.083016 0.072372 0.045788 0.012403 0.047416 34O 4s 0.339044 0.429620 -0.422684 -0.607529 -0.079851 -0.574628 34O 5s 1.491990 1.437174 -0.695479 -0.954048 0.584178 -1.873025 34O 1pz 0.022640 0.009892 0.025142 0.023725 -0.010485 0.024605 34O 1px 0.024757 -0.026412 0.033030 -0.027657 -0.012749 -0.093167 34O 1py 0.017762 0.013464 -0.006978 -0.054805 0.015133 0.036092 34O 2pz 0.023719 0.009066 0.068963 0.034344 -0.009543 -0.033014 34O 2px 0.320782 0.356699 -0.303603 -0.515390 -0.016220 -0.484689 34O 2py -0.095605 -0.059142 0.086954 0.034254 -0.001323 0.210828 34O 3pz 0.118466 0.175625 -0.104710 0.442219 0.117984 0.107051 34O 3px 0.617760 1.011382 -0.499000 0.283749 0.516462 -0.274279 34O 3py -0.197254 -0.614089 0.125706 -0.626691 -0.229480 -0.120704 34O 1dz2 0.000387 0.001412 -0.000960 0.000189 0.002861 -0.001895 34O 1dxz -0.003641 -0.003328 -0.002216 -0.002009 -0.000908 -0.001929 34O 1dyz -0.000069 0.000240 -0.000092 -0.001389 0.001063 0.005559 34O 1dx2y2 -0.004532 -0.002217 -0.000649 0.002588 0.001663 0.004985 34O 1dxy 0.001373 0.001643 -0.002879 0.006430 0.002958 -0.001490 34O 2dz2 0.044367 -0.061398 0.030697 -0.009230 -0.037733 0.109520 34O 2dxz 0.001527 -0.018374 -0.007765 0.002081 0.050308 -0.029640 34O 2dyz -0.015413 0.066883 -0.036708 -0.064727 0.080993 -0.027943 34O 2dx2y2 0.128124 0.137849 -0.134030 -0.051299 0.028808 -0.009838 34O 2dxy -0.049381 -0.077728 0.059805 0.035616 -0.022555 0.028621 34O 1f0 -0.001488 -0.002079 -0.005503 -0.001295 0.001859 0.000338 34O 1f+1 -0.005504 -0.011281 0.007558 0.005041 -0.000990 -0.000241 34O 1f-1 0.002432 0.000399 -0.002479 0.000280 -0.000430 0.001103 34O 1f+2 0.000417 0.003092 0.005646 -0.002200 -0.001391 0.001927 34O 1f-2 0.001543 0.001872 -0.005422 0.000743 0.003708 -0.000317 34O 1f+3 -0.005122 -0.015698 0.008310 0.009575 -0.002221 -0.002308 34O 1f-3 0.002871 0.006792 -0.010459 -0.000698 0.003540 -0.003050 35O 1s -0.003623 0.001889 -0.000657 -0.002792 0.012122 -0.000114 35O 2s -0.008790 0.007118 -0.003140 -0.008393 0.030263 0.000689 35O 3s 0.009294 -0.075880 0.054644 0.041728 -0.063931 -0.031812 35O 4s 0.283722 0.181032 -0.208504 -0.107110 -0.437809 0.263220 35O 5s -1.624558 1.138427 -1.609722 0.059350 2.283417 1.458361 35O 1pz -0.007606 0.012850 0.006137 -0.030219 0.038403 0.050439 35O 1px 0.038599 -0.052749 0.019405 0.002368 -0.058572 0.064312 35O 1py 0.030797 -0.033394 -0.031914 -0.000550 -0.022481 0.042727 35O 2pz 0.002545 0.035251 -0.030118 -0.022359 0.101383 0.146025 35O 2px 0.069845 0.186269 -0.234567 -0.092342 0.066133 0.190026 35O 2py 0.036246 0.033584 -0.178259 -0.016805 0.051735 0.143604 35O 3pz -0.846598 0.432782 -0.232215 0.153319 0.438243 0.019567 35O 3px -1.003732 0.776556 -0.640634 0.271505 1.180856 0.277434 35O 3py -0.912236 0.703663 -0.294964 0.192722 0.786903 0.190743 35O 1dz2 0.000899 -0.001621 -0.001759 -0.000993 0.000687 0.003206 35O 1dxz 0.008450 -0.004599 0.000293 -0.001550 -0.004699 -0.003273 35O 1dyz 0.005345 -0.003804 0.001166 -0.002324 -0.001082 0.002070 35O 1dx2y2 -0.001190 0.000042 -0.003211 0.001112 -0.000985 -0.001028 35O 1dxy 0.004946 -0.000706 0.004547 -0.004083 -0.001300 -0.001515 35O 2dz2 0.000125 -0.114701 0.092445 -0.020718 -0.135279 0.021375 35O 2dxz 0.048824 0.032494 -0.046209 0.027655 0.085695 0.043312 35O 2dyz -0.019963 -0.012069 -0.003686 -0.030350 -0.112189 0.012137 35O 2dx2y2 -0.137413 0.054888 -0.043493 0.000426 0.051212 -0.042189 35O 2dxy -0.100996 0.078033 -0.032066 0.024839 0.087194 0.023237 35O 1f0 0.002876 -0.004667 -0.000124 0.000154 -0.004194 -0.002307 35O 1f+1 0.005430 -0.011164 0.008174 -0.000983 -0.012205 0.002480 35O 1f-1 0.002855 -0.004435 0.006175 -0.001407 -0.003803 0.001912 35O 1f+2 -0.003341 0.008493 -0.001100 -0.001426 0.006896 0.003817 35O 1f-2 -0.001865 0.001721 0.001396 -0.002597 0.001938 0.001256 35O 1f+3 0.001451 -0.009034 -0.004827 0.002605 -0.006823 0.001266 35O 1f-3 0.008080 -0.011363 0.011449 -0.000212 -0.013869 0.003427 312 313 314 315 316 317 1.46577 1.47184 1.47228 1.47740 1.48826 1.49441 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s -0.000744 -0.002141 -0.000290 0.001027 0.000397 0.000638 0Rh 2s 0.002733 0.007227 0.001002 -0.004065 -0.000436 -0.000233 0Rh 3s -0.002683 -0.008113 -0.001086 0.003524 0.002057 0.003599 0Rh 4s -0.012855 -0.033870 -0.004674 0.019222 0.001718 0.000419 0Rh 5s 0.009065 0.019099 0.002547 -0.016058 0.008482 0.019301 0Rh 6s 0.045928 0.142941 0.021108 -0.058906 -0.048825 -0.087940 0Rh 7s -0.150738 -0.709547 -0.139577 -0.163582 0.387050 0.710003 0Rh 8s 0.120033 -0.433017 0.019487 -0.791292 0.008360 -0.041975 0Rh 1pz -0.001882 -0.003066 -0.005141 -0.009641 0.000696 0.003825 0Rh 1px -0.006192 0.001436 0.002352 0.024073 -0.004563 -0.005658 0Rh 1py 0.002033 -0.001777 -0.003704 0.001698 0.001005 0.003581 0Rh 2pz 0.006281 0.010289 0.017117 0.032431 -0.002532 -0.013380 0Rh 2px 0.020706 -0.005218 -0.008146 -0.081175 0.016513 0.021047 0Rh 2py -0.006728 0.005745 0.012966 -0.005336 -0.003821 -0.012497 0Rh 3pz 0.001708 0.000619 0.003255 0.000092 0.004294 0.010963 0Rh 3px 0.002748 0.009180 0.005195 0.005002 -0.024600 -0.042676 0Rh 3py -0.002764 0.005761 -0.010278 -0.007930 0.008516 0.008489 0Rh 4pz -0.047745 -0.063242 -0.110287 -0.192479 -0.004321 0.032656 0Rh 4px -0.135087 -0.014253 0.024651 0.454619 0.003471 0.050513 0Rh 4py 0.053116 -0.062711 -0.037015 0.063557 -0.007224 0.044946 0Rh 5pz 0.086868 0.091210 0.157440 0.331208 0.025541 -0.020826 0Rh 5px 0.242085 0.101442 -0.008766 -0.756647 -0.060828 -0.172800 0Rh 5py -0.094875 0.137237 0.040845 -0.103923 0.011491 -0.072956 0Rh 6pz -0.002510 0.231789 0.405558 -1.437800 -0.167826 -0.412210 0Rh 6px -1.116601 -1.834088 -0.492359 3.498720 0.673760 1.208869 0Rh 6py 0.103196 -0.843077 0.725635 0.171949 -0.205230 -0.464468 0Rh 1dz2 0.003961 -0.006244 0.000974 0.001783 -0.016838 0.000329 0Rh 1dxz -0.003563 -0.005683 0.006453 -0.009565 -0.007684 -0.010407 0Rh 1dyz 0.015468 -0.008746 0.001607 0.008521 -0.029978 0.011705 0Rh 1dx2y2 -0.002965 0.003629 -0.002831 0.008664 0.001164 0.015086 0Rh 1dxy 0.009904 -0.006529 -0.010268 -0.024243 0.003799 0.027923 0Rh 2dz2 -0.000366 0.002589 0.000101 -0.000080 0.002197 0.001332 0Rh 2dxz 0.000620 0.001971 -0.001715 0.000597 0.002129 0.003139 0Rh 2dyz -0.003065 0.001867 -0.000219 -0.001028 0.002125 -0.000026 0Rh 2dx2y2 -0.000216 -0.002937 0.000317 -0.000812 -0.001545 -0.003592 0Rh 2dxy -0.001114 -0.000209 0.001260 0.002813 -0.001178 -0.002470 0Rh 3dz2 -0.007435 0.002868 -0.002716 -0.003603 0.029093 -0.006396 0Rh 3dxz 0.005356 0.004209 -0.007513 0.019608 0.008517 0.010516 0Rh 3dyz -0.022144 0.011847 -0.002720 -0.015163 0.059386 -0.026695 0Rh 3dx2y2 0.007806 0.004790 0.005224 -0.016723 0.003971 -0.019294 0Rh 3dxy -0.017820 0.015943 0.018111 0.043675 -0.003714 -0.053521 0Rh 4dz2 -0.009107 0.046779 0.001589 -0.005581 0.047778 0.016437 0Rh 4dxz 0.015532 0.039309 -0.028164 0.012231 0.036292 0.052890 0Rh 4dyz -0.057778 0.035919 -0.005035 -0.022207 0.063060 -0.013040 0Rh 4dx2y2 -0.002501 -0.053805 0.004632 -0.012135 -0.020926 -0.063397 0Rh 4dxy -0.026447 0.001535 0.028348 0.060954 -0.020496 -0.064630 0Rh 5dz2 0.026459 -0.255025 -0.026201 0.089281 -0.179872 -0.041413 0Rh 5dxz -0.109174 -0.236856 0.070509 0.080442 -0.124608 -0.185463 0Rh 5dyz 0.226134 -0.163950 0.019821 0.084573 -0.270337 0.059308 0Rh 5dx2y2 0.069690 0.349789 0.029812 -0.129974 0.054463 0.213689 0Rh 5dxy 0.116674 0.038399 -0.115958 -0.231888 0.088212 0.278204 0Rh 1f0 0.002250 0.015653 0.021115 0.016493 -0.057418 -0.058240 0Rh 1f+1 0.000112 -0.001390 -0.005629 -0.008447 0.014693 0.010551 0Rh 1f-1 0.010661 0.008736 0.003228 0.011492 -0.031982 -0.018143 0Rh 1f+2 -0.015538 -0.026496 0.017345 -0.007115 -0.004008 0.020844 0Rh 1f-2 -0.014901 0.012871 0.009934 -0.006475 0.008422 -0.034485 0Rh 1f+3 0.013655 -0.022739 -0.015487 -0.004057 0.035494 0.062604 0Rh 1f-3 0.009940 -0.009084 -0.010328 -0.033227 0.005990 0.049620 1Rh 1s 0.000751 0.002137 0.000254 -0.001029 0.000375 0.000634 1Rh 2s -0.002781 -0.007162 -0.000839 0.004089 -0.000367 -0.000232 1Rh 3s 0.002692 0.008129 0.000975 -0.003519 0.001973 0.003578 1Rh 4s 0.013090 0.033540 0.003954 -0.019337 0.001398 0.000416 1Rh 5s -0.009461 -0.018295 -0.002332 0.016299 0.008629 0.019187 1Rh 6s -0.045719 -0.144553 -0.015290 0.058630 -0.047337 -0.087391 1Rh 7s 0.150293 0.730051 0.032723 0.164506 0.374690 0.704555 1Rh 8s -0.120983 0.415911 0.107726 0.792507 -0.003575 -0.051320 1Rh 1pz -0.001990 -0.004598 0.004452 -0.009354 -0.000599 -0.003826 1Rh 1px -0.006279 0.002031 -0.002402 0.024105 0.004324 0.005485 1Rh 1py 0.002135 -0.002939 0.002995 0.001753 -0.001014 -0.003477 1Rh 2pz 0.006634 0.015386 -0.014813 0.031469 0.002197 0.013366 1Rh 2px 0.021014 -0.007301 0.008214 -0.081295 -0.015704 -0.020469 1Rh 2py -0.007084 0.009776 -0.010636 -0.005529 0.003850 0.012151 1Rh 3pz 0.001929 0.001675 -0.002971 0.000029 -0.004075 -0.010628 1Rh 3px 0.002438 0.010884 -0.002855 0.005220 0.024490 0.042766 1Rh 3py -0.002465 0.003224 0.011676 -0.007790 -0.008483 -0.008575 1Rh 4pz -0.050637 -0.096312 0.095675 -0.186612 0.005503 -0.033818 1Rh 4px -0.135616 -0.009211 -0.036354 0.454486 -0.007650 -0.054193 1Rh 4py 0.054026 -0.076430 0.016089 0.064148 0.006913 -0.042564 1Rh 5pz 0.091388 0.138550 -0.137504 0.322376 -0.027795 0.022580 1Rh 5px 0.242130 0.099780 0.047821 -0.756259 0.066817 0.178452 1Rh 5py -0.095488 0.152987 0.001662 -0.104649 -0.011096 0.069111 1Rh 6pz 0.004119 0.353114 -0.305145 -1.459360 0.188374 0.422757 1Rh 6px -1.101703 -1.906578 -0.031797 3.491932 -0.683168 -1.219005 1Rh 6py 0.072428 -0.620669 -0.919176 0.163040 0.208976 0.463585 1Rh 1dz2 -0.003915 0.005330 0.002640 -0.001768 -0.016744 0.000483 1Rh 1dxz 0.003659 0.003433 0.007167 0.009496 -0.008161 -0.010829 1Rh 1dyz -0.015911 0.006573 0.004124 -0.008605 -0.030239 0.011834 1Rh 1dx2y2 0.002919 -0.002847 -0.003391 -0.008879 0.001115 0.014989 1Rh 1dxy -0.010332 0.008434 -0.008809 0.024203 0.003351 0.027931 1Rh 2dz2 0.000342 -0.002454 -0.000556 0.000072 0.002225 0.001342 1Rh 2dxz -0.000637 -0.001351 -0.002064 -0.000603 0.002187 0.003199 1Rh 2dyz 0.003190 -0.001436 -0.000744 0.000966 0.002197 -0.000024 1Rh 2dx2y2 0.000243 0.002771 0.000980 0.000815 -0.001565 -0.003602 1Rh 2dxy 0.001207 0.000051 0.001329 -0.002836 -0.001122 -0.002478 1Rh 3dz2 0.007429 -0.001363 -0.003627 0.003604 0.028753 -0.006795 1Rh 3dxz -0.005502 -0.001707 -0.007563 -0.019428 0.009363 0.011228 1Rh 3dyz 0.022620 -0.008748 -0.006193 0.015620 0.059671 -0.026998 1Rh 3dx2y2 -0.007819 -0.005879 0.003532 0.017205 0.004175 -0.019028 1Rh 3dxy 0.018399 -0.019625 0.014454 -0.043487 -0.002922 -0.053510 1Rh 4dz2 0.008772 -0.044087 -0.010417 0.005457 0.048166 0.016478 1Rh 4dxz -0.015846 -0.028790 -0.035382 -0.012186 0.037548 0.054120 1Rh 4dyz 0.059894 -0.027570 -0.015114 0.021485 0.064380 -0.013125 1Rh 4dx2y2 0.002904 0.051083 0.016878 0.012366 -0.021212 -0.063486 1Rh 4dxy 0.028187 -0.005866 0.028216 -0.061218 -0.019345 -0.064703 1Rh 5dz2 -0.025740 0.246485 0.040426 -0.088658 -0.182556 -0.042364 1Rh 5dxz 0.110201 0.203612 0.122485 -0.081616 -0.128680 -0.189586 1Rh 5dyz -0.233449 0.129724 0.065256 -0.082105 -0.276865 0.058948 1Rh 5dx2y2 -0.070829 -0.346933 -0.056478 0.129576 0.055651 0.214334 1Rh 5dxy -0.123777 -0.018608 -0.124781 0.232852 0.084304 0.277713 1Rh 1f0 0.001478 0.020854 -0.017229 0.017186 0.057792 0.059301 1Rh 1f+1 0.000342 -0.003043 0.005366 -0.008040 -0.014557 -0.009564 1Rh 1f-1 0.009632 0.006944 -0.000986 0.011590 0.031597 0.017332 1Rh 1f+2 -0.015198 -0.020831 -0.023167 -0.007611 0.005118 -0.019517 1Rh 1f-2 -0.014275 0.015118 -0.005293 -0.007387 -0.008619 0.034290 1Rh 1f+3 0.013772 -0.027033 0.009238 -0.004070 -0.035596 -0.062700 1Rh 1f-3 0.010107 -0.012830 0.008397 -0.032762 -0.005155 -0.049795 2C 1s -0.009236 -0.020470 -0.014363 0.012005 0.037994 -0.027852 2C 2s -0.028490 -0.064586 -0.045132 0.037012 0.117835 -0.087997 2C 3s 0.285759 0.707595 0.475902 -0.292940 -1.086013 0.935288 2C 4s -0.641868 -1.814324 -1.196405 0.492432 2.198092 -2.312360 2C 5s 1.010278 -0.077541 0.659070 -2.141704 -5.601213 4.645805 2C 1pz 0.118571 -0.118560 -0.191321 -0.057266 0.005233 -0.070533 2C 1px 0.090151 -0.122751 -0.142209 0.030763 0.040868 -0.068474 2C 1py -0.326037 -0.069343 0.229814 -0.017559 0.017740 -0.011839 2C 2pz -0.247588 0.351764 0.543299 -0.134044 -0.432435 0.136316 2C 2px -0.269537 0.165126 0.303556 0.034717 -0.166099 0.237395 2C 2py 1.009577 0.125343 -0.677864 -0.065875 -0.311167 0.074640 2C 3pz 0.091568 -0.510527 -0.181680 -0.266337 -0.453224 0.458479 2C 3px 0.071866 -0.275681 -0.130343 -0.013403 0.034392 -0.002549 2C 3py -0.230082 -0.359711 -0.042485 -0.229487 -0.387612 0.229561 2C 1dz2 -0.004830 -0.004470 0.011451 0.010480 0.004820 0.014943 2C 1dxz 0.003920 0.014820 0.007468 -0.013200 -0.000127 0.000527 2C 1dyz 0.007192 0.008698 -0.005305 -0.000750 -0.001126 0.000663 2C 1dx2y2 -0.006879 0.005065 0.012156 0.005902 0.003479 -0.000142 2C 1dxy -0.009320 0.016670 0.016280 -0.007092 0.005097 -0.000074 2C 2dz2 0.220885 0.165999 -0.026340 -0.050986 -0.134970 -0.062586 2C 2dxz 0.425779 -0.194826 -0.406240 0.038710 -0.055807 0.067735 2C 2dyz -0.028192 0.239538 0.166512 0.002243 -0.108103 0.021053 2C 2dx2y2 0.131672 -0.025681 -0.124614 0.025227 0.014771 -0.059121 2C 2dxy -0.308854 -0.043005 0.232584 0.055142 0.035442 0.083423 2C 1f0 0.023619 -0.003913 -0.023380 -0.003356 0.008341 -0.017405 2C 1f+1 -0.014032 -0.001208 0.012672 0.005023 0.002063 -0.003214 2C 1f-1 -0.001653 -0.016931 -0.007823 -0.018132 -0.007344 -0.011378 2C 1f+2 0.026311 0.020530 0.002025 0.001035 -0.023240 0.032593 2C 1f-2 0.003174 -0.042306 -0.038521 0.006539 0.029187 -0.028624 2C 1f+3 0.032279 0.021674 -0.003636 -0.010881 -0.037172 0.035241 2C 1f-3 -0.012970 0.019379 0.021124 -0.004937 -0.003646 0.000534 3C 1s -0.022752 0.006856 -0.010900 -0.026337 -0.034592 0.021555 3C 2s -0.071466 0.021713 -0.033945 -0.082537 -0.108766 0.066211 3C 3s 0.796668 -0.225283 0.363312 0.788823 1.090380 -0.527800 3C 4s -2.104514 0.553470 -0.962004 -1.816814 -2.507354 0.762040 3C 5s 0.140125 -0.669382 0.504982 1.915741 5.591747 -3.077027 3C 1pz -0.031999 0.232689 0.244914 0.125221 0.066590 0.005728 3C 1px -0.076891 0.033983 0.078510 0.042464 -0.077328 -0.061938 3C 1py 0.182968 0.075870 0.214499 0.140802 0.074209 0.036433 3C 2pz 0.059789 -0.652132 -0.734767 -0.337777 -0.063274 -0.244942 3C 2px 0.084224 -0.261177 -0.208201 0.100339 0.213189 -0.039450 3C 2py -0.445873 -0.253489 -0.546796 -0.504627 -0.324043 0.319592 3C 3pz -0.313511 0.234565 -0.035754 0.060805 0.404059 -0.233106 3C 3px -0.256955 0.022236 0.105743 -0.076965 0.012013 -0.232065 3C 3py 0.604282 0.015398 0.168069 0.200858 -0.502511 0.233893 3C 1dz2 -0.010572 -0.011726 -0.022998 -0.005282 -0.005262 -0.008902 3C 1dxz 0.003623 0.004271 -0.004528 -0.007274 0.000174 -0.001123 3C 1dyz -0.005678 0.006534 0.003759 -0.007769 -0.000764 -0.004113 3C 1dx2y2 0.003966 0.012419 -0.002105 -0.011091 -0.007375 -0.004844 3C 1dxy -0.012809 -0.006625 0.000158 0.011934 -0.000023 -0.001004 3C 2dz2 -0.018424 0.016328 -0.087526 -0.064298 0.021964 0.046370 3C 2dxz 0.028664 0.041234 0.208371 0.145146 -0.025017 -0.107233 3C 2dyz -0.282827 -0.255053 -0.296901 -0.243570 -0.114695 -0.035221 3C 2dx2y2 -0.082801 0.244196 0.333348 0.165730 -0.027274 0.068107 3C 2dxy 0.003750 0.269644 0.121602 -0.020234 0.055177 0.145062 3C 1f0 -0.001399 0.025682 0.022583 -0.005295 -0.018236 0.022857 3C 1f+1 0.003978 0.014003 0.009743 -0.003608 -0.010578 0.007274 3C 1f-1 -0.025500 -0.017408 -0.029884 -0.029231 -0.026553 0.003815 3C 1f+2 0.048970 -0.013124 0.024223 0.031759 0.036051 -0.006794 3C 1f-2 0.034726 -0.008937 0.006928 0.008163 0.029664 -0.001120 3C 1f+3 -0.006326 0.007279 0.017448 0.018327 -0.006329 -0.014038 3C 1f-3 -0.013908 -0.002706 -0.001739 -0.004389 -0.011536 -0.005902 4C 1s -0.008199 -0.003056 -0.001877 0.020198 0.026712 -0.005570 4C 2s -0.024953 -0.009929 -0.006188 0.062023 0.081471 -0.016794 4C 3s 0.266624 0.211093 0.095572 -0.628947 -0.827542 0.104533 4C 4s -0.915036 -1.213014 -0.355399 1.454761 1.897444 -0.494146 4C 5s -0.277460 0.799388 0.180839 0.967036 0.537461 -0.595695 4C 1pz 0.294868 -0.025548 -0.200652 -0.063618 -0.137074 -0.103072 4C 1px 0.226177 -0.146242 -0.196841 0.057882 -0.100855 -0.030266 4C 1py -0.483399 0.070648 0.363738 0.003793 0.084954 0.123441 4C 2pz -0.430575 -0.105978 0.313196 0.266662 0.214006 -0.233905 4C 2px -0.417704 0.292764 0.076201 -0.085113 0.632248 0.477616 4C 2py 0.710927 -0.168103 -0.698059 0.029810 0.036507 -0.285768 4C 3pz 0.278597 -1.522749 -0.787558 -0.615052 -2.400734 1.841850 4C 3px 0.040414 0.541563 0.174468 -0.250145 -0.374118 0.142419 4C 3py -0.368118 -0.663850 0.406543 -0.361594 -1.351335 1.478678 4C 1dz2 0.016202 0.004231 -0.020735 -0.002456 0.002318 -0.000356 4C 1dxz 0.006076 0.003477 -0.008603 -0.003813 -0.004644 -0.001473 4C 1dyz -0.006769 0.005619 0.012145 0.008043 0.011541 0.004677 4C 1dx2y2 -0.000077 -0.011825 -0.015606 -0.004770 -0.004410 -0.009244 4C 1dxy -0.000510 -0.002242 -0.004746 0.004036 0.008186 0.004907 4C 2dz2 0.000024 0.295462 0.183175 -0.171529 -0.023113 -0.205291 4C 2dxz -0.058588 -0.397402 -0.288660 0.289793 0.187691 0.287512 4C 2dyz -0.057340 0.053057 0.055811 0.097645 0.168685 0.123034 4C 2dx2y2 0.055292 -0.124690 -0.155112 0.052216 -0.045697 0.085253 4C 2dxy 0.038257 -0.389163 -0.333945 0.279412 0.155654 0.323339 4C 1f0 0.012246 -0.000232 -0.004893 0.002928 -0.005499 0.010591 4C 1f+1 0.006286 0.016019 0.014625 -0.025144 -0.033971 -0.007696 4C 1f-1 -0.000755 0.000441 -0.002341 0.019005 0.017005 -0.032765 4C 1f+2 -0.004170 -0.013278 0.006375 0.007053 0.005663 -0.008154 4C 1f-2 0.003466 0.012318 -0.001525 -0.004729 0.018126 -0.001059 4C 1f+3 0.004906 -0.005281 -0.004944 -0.000340 0.006577 -0.012138 4C 1f-3 0.005659 0.007010 0.007275 -0.022642 -0.037759 -0.003680 5C 1s -0.002582 0.007444 0.000995 -0.019277 -0.013265 0.025298 5C 2s -0.008159 0.023114 0.002859 -0.059804 -0.040560 0.077507 5C 3s 0.204838 -0.266173 -0.002566 0.686263 0.369555 -0.812543 5C 4s -1.223028 0.941555 -0.011578 -1.963899 -1.006879 1.749805 5C 5s 0.956667 0.120988 -0.069360 -0.344025 -0.586843 0.101333 5C 1pz 0.143997 0.376951 0.449072 0.246596 0.039320 0.074093 5C 1px -0.057123 0.027025 0.035779 0.134048 0.072692 0.030059 5C 1py 0.066620 0.234376 0.276679 0.170960 0.048657 0.186763 5C 2pz -0.313123 -0.496221 -0.953895 -0.518254 0.037283 0.167801 5C 2px 0.059669 -0.043400 0.474681 -0.391207 -1.043716 -0.854001 5C 2py 0.051139 -0.443382 -0.267062 -0.075160 0.029260 -0.486862 5C 3pz -0.771254 0.076064 0.381777 -0.022770 1.590579 -0.712666 5C 3px -0.123725 0.625618 0.043947 -0.269075 0.807942 -0.506032 5C 3py 1.369712 0.134338 0.717109 0.589142 -2.283166 1.628591 5C 1dz2 0.009730 0.003269 0.023353 0.011898 0.003325 -0.002597 5C 1dxz 0.007542 -0.005858 0.006117 0.005815 0.007093 0.010767 5C 1dyz -0.004816 -0.003727 -0.011533 0.002947 0.000142 -0.015569 5C 1dx2y2 -0.008191 0.010710 0.015696 0.002414 0.001653 0.001353 5C 1dxy -0.005260 0.002535 0.003033 0.000761 0.001297 -0.001552 5C 2dz2 0.152499 0.178045 0.066468 0.036933 0.091129 0.109780 5C 2dxz -0.032114 -0.233730 0.202797 0.249712 -0.191326 -0.125822 5C 2dyz -0.138850 -0.179985 0.082165 0.239611 -0.199419 -0.374722 5C 2dx2y2 -0.254153 -0.240476 0.027079 0.040101 -0.144947 -0.313080 5C 2dxy 0.209385 0.384478 -0.229180 -0.319056 0.322057 0.253529 5C 1f0 0.002906 0.001828 0.021581 0.027541 0.010700 -0.043705 5C 1f+1 0.010387 -0.007596 -0.010636 0.019140 0.031471 -0.004105 5C 1f-1 0.003280 -0.003681 0.006211 -0.006763 -0.002036 -0.002782 5C 1f+2 -0.003610 0.001530 -0.004122 0.001299 0.026444 0.002566 5C 1f-2 -0.016798 0.002835 -0.011800 -0.004938 0.021840 0.032909 5C 1f+3 0.016596 -0.003278 -0.002672 0.005778 0.007917 -0.008455 5C 1f-3 -0.002931 0.015395 0.000964 -0.032693 -0.012136 0.025884 6C 1s 0.002448 -0.007282 -0.001419 0.019176 -0.013412 0.025307 6C 2s 0.007742 -0.022531 -0.004618 0.059485 -0.041016 0.077476 6C 3s -0.195629 0.258550 0.084694 -0.684088 0.375242 -0.810403 6C 4s 1.192539 -0.922177 -0.317706 1.958993 -1.027449 1.742101 6C 5s -1.000094 -0.181675 -0.089921 0.369588 -0.605837 0.082537 6C 1pz 0.132201 0.474443 -0.351576 0.235289 -0.044125 -0.074714 6C 1px -0.059922 0.034092 -0.029771 0.132842 -0.075297 -0.029322 6C 1py 0.058091 0.291680 -0.215797 0.164416 -0.053087 -0.187727 6C 2pz -0.284252 -0.708714 0.819691 -0.501687 -0.027216 -0.158166 6C 2px 0.054149 0.099189 -0.458330 -0.382069 1.049211 0.850164 6C 2py 0.050883 -0.506144 0.151075 -0.063770 -0.025171 0.478675 6C 3pz -0.766692 0.187900 -0.338558 -0.061039 -1.588153 0.723971 6C 3px -0.097993 0.640601 0.113538 -0.294387 -0.804151 0.510144 6C 3py 1.325236 0.257700 -0.703986 0.616459 2.272601 -1.643252 6C 1dz2 -0.009150 -0.008809 0.022260 -0.011364 0.003670 -0.002186 6C 1dxz -0.007399 0.004039 0.007655 -0.005591 0.007150 0.010888 6C 1dyz 0.004819 0.006770 -0.010220 -0.003331 0.000055 -0.015649 6C 1dx2y2 0.008522 -0.014073 0.012464 -0.001984 0.001615 0.001189 6C 1dxy 0.005402 -0.002966 0.002250 -0.000771 0.001190 -0.001779 6C 2dz2 -0.146904 -0.175517 0.025720 -0.035166 0.093197 0.114078 6C 2dxz 0.047090 0.187238 0.255608 -0.254740 -0.188809 -0.120404 6C 2dyz 0.146826 0.151821 0.124750 -0.244405 -0.197718 -0.375186 6C 2dx2y2 0.246186 0.197180 0.078408 -0.039135 -0.146645 -0.320515 6C 2dxy -0.225312 -0.320075 -0.316032 0.327959 0.318794 0.249637 6C 1f0 0.002010 0.006776 -0.021136 0.027187 -0.011204 0.043312 6C 1f+1 0.010027 -0.010820 0.007673 0.018944 -0.031449 0.004305 6C 1f-1 0.003262 -0.001965 -0.006758 -0.006846 0.002169 0.002792 6C 1f+2 -0.003421 0.000024 0.004442 0.001075 -0.026510 -0.002633 6C 1f-2 -0.016241 -0.000273 0.012511 -0.005256 -0.021749 -0.032705 6C 1f+3 0.016238 -0.004405 0.001161 0.005535 -0.007994 0.008138 6C 1f-3 -0.002446 0.015480 0.003639 -0.032795 0.012521 -0.025668 7C 1s 0.007920 0.003534 -0.000667 -0.019767 0.027042 -0.005545 7C 2s 0.024079 0.011510 -0.002306 -0.060708 0.082467 -0.016730 7C 3s -0.260530 -0.239528 0.023930 0.617140 -0.837141 0.105248 7C 4s 0.903655 1.296005 0.000810 -1.431088 1.912840 -0.505498 7C 5s 0.302125 -0.774012 0.012813 -0.984463 0.547510 -0.603610 7C 1pz 0.295308 -0.071119 0.184276 -0.056417 0.138901 0.108347 7C 1px 0.224006 -0.197473 0.147614 0.064394 0.103185 0.031543 7C 1py -0.483286 0.155100 -0.323814 -0.007182 -0.085386 -0.129746 7C 2pz -0.444649 -0.055229 -0.331147 0.253021 -0.218052 0.224065 7C 2px -0.404979 0.332258 0.005785 -0.084048 -0.629376 -0.465562 7C 2py 0.707979 -0.339098 0.613727 0.050604 -0.034241 0.299347 7C 3pz 0.241453 -1.747167 0.367969 -0.544314 2.424381 -1.825116 7C 3px 0.036632 0.588918 -0.033159 -0.245775 0.363303 -0.138713 7C 3py -0.397894 -0.591677 -0.554846 -0.344714 1.360442 -1.489156 7C 1dz2 -0.016419 0.001285 -0.020877 0.002008 0.002436 -0.000208 7C 1dxz -0.005921 -0.001139 -0.009081 0.003469 -0.004615 -0.001367 7C 1dyz 0.006937 -0.007908 0.010402 -0.007793 0.011761 0.004808 7C 1dx2y2 -0.000188 0.015287 -0.012110 0.004345 -0.004648 -0.009571 7C 1dxy 0.000394 0.003747 -0.003898 -0.003832 0.008090 0.004888 7C 2dz2 -0.006624 -0.347283 0.095535 0.182509 -0.016396 -0.200980 7C 2dxz 0.047832 0.446732 -0.176546 -0.297609 0.178686 0.281634 7C 2dyz 0.054485 -0.067207 0.043878 -0.093775 0.172046 0.124214 7C 2dx2y2 -0.043670 0.183004 -0.107568 -0.061710 -0.047821 0.083527 7C 2dxy -0.036389 0.477315 -0.214582 -0.293229 0.149188 0.318963 7C 1f0 0.012366 -0.001125 0.004551 0.002955 0.006014 -0.010740 7C 1f+1 0.006226 0.020485 -0.009286 -0.024921 0.034275 0.007625 7C 1f-1 -0.001267 -0.000766 0.001827 0.018861 -0.017259 0.032367 7C 1f+2 -0.004598 -0.012514 -0.009831 0.006477 -0.005832 0.007969 7C 1f-2 0.003806 0.012032 0.004706 -0.004985 -0.018201 0.001053 7C 1f+3 0.004788 -0.006900 0.003442 -0.000586 -0.006708 0.012079 7C 1f-3 0.005691 0.008703 -0.004202 -0.022588 0.037796 0.003222 8C 1s 0.022114 -0.004758 -0.013224 0.025879 -0.035129 0.021641 8C 2s 0.069491 -0.015169 -0.041288 0.081095 -0.110446 0.066416 8C 3s -0.775472 0.158174 0.438550 -0.774850 1.108136 -0.529246 8C 4s 2.044085 -0.391471 -1.144369 1.788112 -2.552891 0.761804 8C 5s -0.104083 0.581312 0.697603 -1.852427 5.639660 -3.095522 8C 1pz -0.035305 0.288474 -0.182903 0.118452 -0.069536 -0.007931 8C 1px -0.080288 0.052342 -0.065784 0.042140 0.076807 0.057625 8C 1py 0.177079 0.124424 -0.195232 0.135882 -0.079073 -0.038159 8C 2pz 0.075029 -0.809523 0.558548 -0.322455 0.073002 0.255310 8C 2px 0.092121 -0.299046 0.130372 0.102460 -0.212229 0.054129 8C 2py -0.433000 -0.386199 0.486233 -0.488014 0.338367 -0.320206 8C 3pz -0.305178 0.231384 0.097243 0.054625 -0.406302 0.232906 8C 3px -0.263207 0.045879 -0.087561 -0.076484 -0.011757 0.225730 8C 3py 0.596131 0.053930 -0.173466 0.205352 0.498434 -0.239710 8C 1dz2 0.010286 0.017112 -0.019755 0.004598 -0.005461 -0.009054 8C 1dxz -0.003652 -0.003045 -0.005364 0.006987 0.000218 -0.000933 8C 1dyz 0.005636 -0.007382 0.001877 0.007893 -0.000945 -0.004056 8C 1dx2y2 -0.004140 -0.011547 -0.005326 0.011070 -0.007511 -0.004904 8C 1dxy 0.012928 0.006241 0.001808 -0.012057 0.000062 -0.001132 8C 2dz2 0.014999 0.004114 -0.089802 0.063615 0.019671 0.045851 8C 2dxz -0.022844 -0.099886 0.198471 -0.146291 -0.018562 -0.103282 8C 2dyz 0.276102 0.316523 -0.233674 0.233782 -0.121291 -0.034850 8C 2dx2y2 0.092621 -0.313860 0.261036 -0.159632 -0.022732 0.074891 8C 2dxy -0.003594 -0.291824 0.054508 0.023463 0.056829 0.150485 8C 1f0 -0.001937 0.030354 -0.015255 -0.005806 0.018320 -0.023393 8C 1f+1 0.004561 0.015321 -0.006170 -0.003409 0.009930 -0.006907 8C 1f-1 -0.024323 -0.023594 0.025863 -0.028379 0.027272 -0.003716 8C 1f+2 0.047416 -0.008640 -0.027825 0.031054 -0.036863 0.006979 8C 1f-2 0.034895 -0.007949 -0.010245 0.008437 -0.030824 0.001605 8C 1f+3 -0.006576 0.011550 -0.015560 0.018440 0.005544 0.013645 8C 1f-3 -0.013570 -0.002478 0.001029 -0.003813 0.011302 0.005932 9C 1s 0.009525 0.023694 -0.008111 -0.012080 0.037996 -0.027832 9C 2s 0.029420 0.074731 -0.025457 -0.037244 0.117804 -0.087954 9C 3s -0.297731 -0.813422 0.264368 0.298091 -1.083327 0.936046 9C 4s 0.683008 2.084681 -0.659390 -0.515740 2.186502 -2.317479 9C 5s -1.005091 -0.031142 0.594603 2.091641 -5.631556 4.646126 9C 1pz 0.121375 -0.160343 0.154263 -0.054224 -0.002728 0.069507 9C 1px 0.092986 -0.155181 0.106290 0.035169 -0.041056 0.067520 9C 1py -0.330698 -0.008457 -0.235826 -0.019879 -0.017270 0.016935 9C 2pz -0.264012 0.464431 -0.428809 -0.135471 0.430271 -0.132303 9C 2px -0.278151 0.236893 -0.252907 0.026638 0.169857 -0.232404 9C 2py 1.014929 -0.058393 0.676882 -0.054253 0.314313 -0.086379 9C 3pz 0.085808 -0.554764 0.050418 -0.257201 0.459551 -0.462947 9C 3px 0.076539 -0.296341 0.059954 -0.010295 -0.035490 0.003040 9C 3py -0.239810 -0.368871 -0.046792 -0.217736 0.395494 -0.217471 9C 1dz2 0.005251 0.001979 0.012406 -0.010209 0.004945 0.015110 9C 1dxz -0.003966 -0.016666 0.003257 0.013473 0.000150 0.000667 9C 1dyz -0.007487 -0.007054 -0.007323 0.000587 -0.001059 0.000784 9C 1dx2y2 0.006653 -0.007721 0.010136 -0.005592 0.003605 -0.000271 9C 1dxy 0.009341 -0.020653 0.011284 0.007518 0.005298 -0.000112 9C 2dz2 -0.217170 -0.153632 -0.064858 0.051072 -0.131645 -0.059973 9C 2dxz -0.425202 0.303695 -0.335948 -0.050247 -0.057863 0.069276 9C 2dyz 0.019570 -0.270341 0.090097 0.002529 -0.109010 0.019240 9C 2dx2y2 -0.149596 0.055264 -0.122984 -0.024268 0.014255 -0.060405 9C 2dxy 0.310258 -0.015062 0.231002 -0.053597 0.032349 0.080329 9C 1f0 0.024285 -0.009399 0.021648 -0.002992 -0.008420 0.017474 9C 1f+1 -0.013993 0.002339 -0.012102 0.004952 -0.002204 0.003777 9C 1f-1 -0.002327 -0.018033 0.003030 -0.017528 0.008192 0.010996 9C 1f+2 0.026649 0.021200 0.002475 0.000843 0.024068 -0.033953 9C 1f-2 0.003126 -0.050430 0.025630 0.007468 -0.028365 0.028012 9C 1f+3 0.032850 0.018688 0.009867 -0.010306 0.036565 -0.034813 9C 1f-3 -0.011292 0.025692 -0.014612 -0.006177 0.005080 -0.002001 10H 1s -0.016319 -0.010945 -0.000348 0.018591 0.006022 -0.015858 10H 2s 0.403734 0.196861 -0.047112 -0.099127 -0.363636 0.369052 10H 3s -0.355799 -0.297273 -0.169316 0.339357 0.799226 -0.629326 10H 1pz 0.051682 0.034318 0.010030 -0.009899 -0.082127 0.053787 10H 1px -0.040138 -0.034364 -0.008157 0.004098 0.048069 -0.035727 10H 1py 0.039041 -0.028194 -0.036162 0.039939 -0.023262 0.054658 11H 1s -0.000151 -0.019632 -0.014250 -0.011743 -0.007884 0.002277 11H 2s -0.760557 0.631554 1.037538 0.015277 -0.311587 0.414774 11H 3s 0.253674 -0.477111 -0.634637 0.283917 0.908981 -0.768854 11H 1pz -0.075084 0.092105 0.136759 0.012797 -0.041739 0.046065 11H 1px -0.037735 0.091564 0.109070 -0.036460 -0.068061 0.081641 11H 1py 0.074468 0.002986 -0.079224 0.014629 0.072118 -0.042779 12H 1s -0.009465 -0.007107 0.001649 -0.009985 -0.008017 -0.018013 12H 2s 0.854399 0.452030 -0.318263 -0.002546 -0.461645 0.297587 12H 3s -0.631729 -0.368026 0.002533 0.235473 0.931102 -0.723161 12H 1pz -0.029253 0.011483 0.030282 -0.007634 0.002982 -0.034134 12H 1px 0.045906 -0.013065 -0.028500 -0.002723 -0.081634 0.080703 12H 1py 0.153429 0.121389 -0.043403 -0.040166 -0.075090 0.055229 13H 1s -0.008616 -0.002636 0.005854 0.011107 -0.015118 -0.009514 13H 2s 0.353059 -0.353122 -0.033925 0.081578 0.240217 -0.327236 13H 3s -0.435492 0.300575 -0.189921 -0.363788 -0.663040 0.555696 13H 1pz 0.031801 -0.091305 -0.025439 0.069620 0.069927 -0.001882 13H 1px -0.064523 -0.002955 -0.027382 -0.004703 -0.000938 0.066001 13H 1py -0.041804 0.036153 0.002182 -0.027783 -0.051040 0.042023 14H 1s -0.011010 0.016462 -0.003495 -0.007412 -0.003434 -0.014717 14H 2s 0.401440 -0.556307 -0.472300 -0.009010 0.391988 -0.094911 14H 3s -0.398248 0.479487 0.161555 -0.432028 -0.906686 0.374430 14H 1pz 0.103289 -0.018706 -0.027753 -0.045258 -0.016983 -0.030836 14H 1px 0.053310 -0.096243 -0.069365 0.033822 0.118867 -0.020700 14H 1py -0.020545 -0.010273 -0.022851 -0.011211 0.002315 0.025300 15H 1s -0.028792 -0.002442 -0.013822 -0.005645 0.007546 -0.017140 15H 2s 0.689036 0.565629 0.987164 0.771606 0.519659 -0.008420 15H 3s -0.546422 -0.171051 -0.552397 -0.840488 -0.973792 0.409083 15H 1pz -0.033331 -0.054310 -0.094632 -0.078272 -0.104404 0.044307 15H 1px 0.049515 0.022791 0.022940 -0.008985 0.008212 -0.007049 15H 1py -0.129094 -0.050364 -0.149731 -0.127464 -0.081871 -0.002519 16H 1s 0.012484 -0.012768 0.000776 -0.059226 -0.022412 0.004486 16H 2s -0.092885 0.124228 -0.200065 0.457632 0.403335 0.396411 16H 3s 0.110407 0.164936 0.016927 -0.129212 -0.106456 -0.063981 16H 1pz -0.016680 0.009438 -0.004038 0.052467 0.033254 0.015380 16H 1px 0.005363 0.044694 -0.015252 0.086850 -0.050363 -0.066818 16H 1py 0.004728 0.015412 0.023012 0.040635 -0.036160 -0.102385 17H 1s 0.013864 0.010346 -0.004091 -0.053061 0.021072 -0.000150 17H 2s -0.127816 -0.022997 -0.164786 0.412186 0.164502 0.430755 17H 3s -0.010210 0.198143 0.048513 -0.137814 -0.040446 -0.124693 17H 1pz 0.024119 -0.014862 0.013663 -0.077992 0.009675 0.012890 17H 1px -0.010909 0.016069 0.008067 0.022656 -0.034756 -0.074847 17H 1py -0.008220 -0.025240 0.032182 0.035938 -0.085702 -0.085936 18H 1s -0.014232 -0.006915 -0.007576 0.053623 0.020297 0.000166 18H 2s 0.123492 0.058639 -0.143805 -0.414099 0.168680 0.430749 18H 3s 0.012221 -0.199860 -0.005453 0.137616 -0.038950 -0.123667 18H 1pz 0.023898 -0.010988 -0.014323 -0.076903 -0.010216 -0.014573 18H 1px -0.009897 0.017192 -0.003824 0.020623 0.034743 0.073847 18H 1py -0.007313 -0.012531 -0.038028 0.034116 0.086547 0.086411 19H 1s -0.013909 0.010810 0.002414 0.058131 -0.022953 0.004429 19H 2s 0.096004 -0.055491 -0.212803 -0.454637 0.409916 0.400777 19H 3s -0.110401 -0.168983 -0.024318 0.128357 -0.107002 -0.063216 19H 1pz -0.017714 0.006912 0.005575 0.051410 -0.034235 -0.017482 19H 1px 0.005036 0.039234 0.024365 0.090329 0.047842 0.064869 19H 1py 0.003162 0.020379 -0.018653 0.042315 0.034431 0.101979 20H 1s 0.027871 0.004475 -0.013245 0.005815 0.006816 -0.016827 20H 2s -0.660839 -0.774248 0.844674 -0.747351 0.543119 -0.002084 20H 3s 0.526669 0.287988 -0.520077 0.821051 -0.994938 0.407697 20H 1pz -0.031640 -0.075238 0.081155 -0.075655 0.106971 -0.043616 20H 1px 0.049255 0.026442 -0.018984 -0.009186 -0.009108 0.008975 20H 1py -0.123918 -0.082392 0.137079 -0.123612 0.085166 0.003307 21H 1s 0.011022 -0.015214 -0.007913 0.007429 -0.003472 -0.014209 21H 2s -0.410640 0.668719 -0.313301 0.005475 0.386574 -0.110350 21H 3s 0.393707 -0.525054 0.020841 0.426213 -0.912542 0.385572 21H 1pz 0.103406 -0.029089 0.021399 -0.044577 0.017153 0.031850 21H 1px 0.053643 -0.111797 0.041971 0.034787 -0.119305 0.023372 21H 1py -0.020289 -0.016750 0.020197 -0.010958 -0.001961 -0.023941 22H 1s 0.008639 0.000799 0.006330 -0.011158 -0.015409 -0.009245 22H 2s -0.347170 0.353826 0.063587 -0.085659 0.246269 -0.327420 22H 3s 0.418028 -0.263998 -0.274324 0.360449 -0.673749 0.554437 22H 1pz 0.029954 -0.095769 0.000651 0.070717 -0.071475 0.002110 22H 1px -0.063023 -0.007684 0.027212 -0.004787 0.001738 -0.064362 22H 1py -0.041762 0.036535 0.009088 -0.027685 0.052022 -0.043150 23H 1s 0.009562 0.006329 0.003252 0.009691 -0.008518 -0.017992 23H 2s -0.873635 -0.359048 -0.422538 0.002169 -0.455875 0.302750 23H 3s 0.644538 0.348521 0.104438 -0.232089 0.931813 -0.731116 23H 1pz -0.031566 0.019342 -0.026804 -0.006134 -0.004494 0.037021 23H 1px 0.042308 -0.019982 0.021669 -0.001139 0.081546 -0.077414 23H 1py 0.158640 0.105346 0.074813 -0.040060 0.075190 -0.058100 24H 1s 0.000621 0.022037 -0.008492 0.010988 -0.007759 0.002256 24H 2s 0.759890 -0.882505 0.825015 0.006274 -0.309434 0.409568 24H 3s -0.252889 0.617063 -0.476196 -0.285918 0.912867 -0.764493 24H 1pz -0.074985 0.125250 -0.106523 0.009685 0.040755 -0.044803 24H 1px -0.037898 0.115116 -0.080905 -0.039095 0.069627 -0.083952 24H 1py 0.076836 -0.017954 0.075993 0.013768 -0.070838 0.038055 25H 1s 0.016017 0.009455 0.002595 -0.018732 0.005994 -0.016347 25H 2s -0.396320 -0.169086 -0.089661 0.091617 -0.360551 0.374024 25H 3s 0.358606 0.334263 -0.078593 -0.335705 0.798992 -0.630796 25H 1pz 0.050937 0.032397 -0.001337 -0.008614 0.081957 -0.055026 25H 1px -0.040266 -0.035264 -0.001032 0.002938 -0.046980 0.036529 25H 1py 0.037569 -0.036873 0.025760 0.039855 0.023614 -0.054435 26O 1s 0.003872 -0.005013 -0.003097 -0.000598 -0.002465 0.005263 26O 2s 0.010057 -0.011392 -0.006805 -0.002644 -0.009521 0.013977 26O 3s -0.026859 -0.014942 -0.019528 0.041445 0.101132 -0.022901 26O 4s -0.082731 0.381000 0.318616 -0.211469 -0.430565 -0.189121 26O 5s 0.464325 0.031247 0.188931 -0.512904 0.296587 -0.934572 26O 1pz 0.005962 0.018188 -0.004303 -0.026512 0.008435 -0.026820 26O 1px 0.016056 -0.038086 -0.038862 0.020486 -0.015351 0.045130 26O 1py -0.027878 0.002793 0.029723 0.001694 -0.024123 -0.028181 26O 2pz 0.018667 -0.046160 -0.067255 -0.000249 -0.025914 0.026767 26O 2px -0.038424 -0.257399 -0.236068 0.267859 0.234481 0.225476 26O 2py -0.085727 -0.116907 -0.065255 0.093239 0.087838 0.118172 26O 3pz -0.043313 0.667369 0.456385 -0.242937 0.294035 -0.356936 26O 3px -0.122837 0.304448 0.235186 -0.511175 0.080519 -0.158306 26O 3py -0.025807 0.571875 0.152707 -0.286470 0.279036 -0.213313 26O 1dz2 0.003244 0.001540 -0.000181 -0.000692 -0.001704 -0.000799 26O 1dxz 0.003548 0.002337 -0.000476 -0.001950 -0.004584 -0.001062 26O 1dyz 0.001762 0.001749 0.002828 -0.002947 -0.005179 -0.001260 26O 1dx2y2 0.003303 -0.003591 -0.005534 0.000859 0.002700 0.001901 26O 1dxy -0.003562 0.000580 0.001816 -0.001277 -0.001926 0.000720 26O 2dz2 -0.092272 -0.003732 0.106209 0.085814 -0.009237 -0.099561 26O 2dxz 0.013679 0.009385 0.038055 -0.062880 -0.082522 0.032543 26O 2dyz 0.019249 -0.040350 -0.090661 0.027714 0.085923 0.084188 26O 2dx2y2 0.025489 0.007322 0.053952 0.079567 -0.074769 -0.085735 26O 2dxy -0.037823 0.007695 0.085040 -0.044870 -0.156378 -0.092712 26O 1f0 -0.002167 -0.000048 0.003202 -0.000756 -0.001453 -0.000339 26O 1f+1 0.003723 -0.000812 0.000053 -0.005410 -0.008166 -0.000357 26O 1f-1 0.002766 -0.001450 -0.003290 -0.000573 -0.004068 0.001653 26O 1f+2 0.005113 0.002533 -0.002558 0.002127 0.001818 -0.001841 26O 1f-2 0.001238 -0.001815 -0.002349 -0.000793 -0.000727 0.000275 26O 1f+3 -0.007765 0.003558 0.008848 -0.001156 -0.001659 0.001915 26O 1f-3 0.007408 -0.000463 -0.002053 -0.005781 -0.011479 -0.003572 27O 1s -0.003756 -0.002926 0.001421 0.003945 -0.000347 -0.006880 27O 2s -0.009262 -0.005631 0.003982 0.010379 0.002036 -0.019051 27O 3s 0.000975 -0.025804 -0.005533 -0.033427 -0.080083 0.061056 27O 4s 0.207407 0.372809 -0.023319 -0.127301 0.463024 0.024239 27O 5s 0.318272 -0.568810 -0.532648 1.173383 -0.103215 1.226619 27O 1pz 0.006401 0.025293 0.005072 0.001958 0.004792 0.019105 27O 1px -0.028900 -0.029615 0.006613 0.055663 0.007634 -0.039619 27O 1py -0.028393 0.009884 0.043659 0.019438 -0.021468 -0.048920 27O 2pz -0.006821 0.053837 0.021419 0.010343 0.040774 -0.005821 27O 2px -0.197917 -0.176182 0.108977 -0.015465 -0.253874 -0.113427 27O 2py 0.074793 0.050100 0.039303 0.040141 0.026844 0.058516 27O 3pz 0.304697 0.192392 -0.129595 0.074909 -0.141668 0.260437 27O 3px 0.101963 0.891930 0.209541 -1.025615 -0.442474 -0.359235 27O 3py -0.417010 -0.479561 -0.181729 0.229742 0.318483 -0.176357 27O 1dz2 0.001823 -0.000917 0.000190 0.000270 0.000963 0.003612 27O 1dxz 0.001917 0.005786 0.003120 0.002962 0.001788 -0.002537 27O 1dyz -0.000575 -0.002821 -0.001267 0.001661 -0.002578 0.000619 27O 1dx2y2 -0.002281 0.001581 0.003529 0.001694 -0.004723 -0.003539 27O 1dxy 0.000055 -0.001057 0.001181 0.001676 -0.001346 0.007134 27O 2dz2 0.005482 -0.056724 -0.052192 -0.075012 -0.031173 0.037058 27O 2dxz 0.030672 0.006905 0.043519 -0.021013 -0.008846 -0.083057 27O 2dyz 0.049528 -0.065130 0.038117 0.086910 0.035152 -0.051285 27O 2dx2y2 0.047017 -0.061544 -0.127987 0.042892 0.154235 0.098861 27O 2dxy 0.006521 0.047032 0.033636 -0.022043 -0.099652 0.007729 27O 1f0 -0.002144 -0.003327 -0.004611 -0.004932 -0.002837 -0.001591 27O 1f+1 0.000664 -0.002585 -0.004386 0.003856 0.005437 -0.003588 27O 1f-1 -0.000409 -0.001342 -0.001458 -0.002805 -0.001225 0.000797 27O 1f+2 0.003559 0.004885 0.004649 0.001700 0.003530 0.004860 27O 1f-2 0.000876 -0.000356 -0.003882 -0.003411 -0.001192 0.002443 27O 1f+3 0.000102 -0.006450 -0.008282 0.004452 0.008011 -0.003794 27O 1f-3 -0.000663 -0.001794 -0.004227 -0.007221 -0.003500 0.003039 28O 1s -0.001525 0.007200 0.003482 -0.004437 -0.003773 -0.001773 28O 2s -0.004841 0.016796 0.008710 -0.011424 -0.011386 -0.002817 28O 3s 0.024834 -0.004856 -0.010286 0.025992 0.063672 -0.037718 28O 4s -0.075194 -0.438091 -0.160843 0.191510 -0.197375 0.330047 28O 5s 0.149124 1.174307 0.067183 -0.753365 1.272008 -0.363264 28O 1pz 0.016780 0.012475 0.011143 -0.024978 -0.006446 -0.003490 28O 1px 0.000347 -0.036757 -0.032953 0.053652 0.031707 0.006054 28O 1py 0.019592 -0.025981 -0.032061 0.008888 0.039065 0.035380 28O 2pz 0.052818 0.028747 0.052766 -0.051194 -0.026587 -0.069894 28O 2px -0.003345 -0.135250 -0.113155 0.045453 -0.018794 0.111080 28O 2py -0.000752 -0.035258 0.006450 -0.024070 -0.012612 0.014774 28O 3pz -0.136409 -0.929663 -0.431075 0.648003 0.106104 -0.157802 28O 3px 0.273048 0.762206 0.144262 -0.618981 0.325018 0.256149 28O 3py -0.080113 -0.218233 -0.131021 0.216812 0.124597 -0.140644 28O 1dz2 0.002957 -0.003597 -0.002714 -0.000181 -0.007306 0.000277 28O 1dxz -0.000572 0.003068 -0.000183 0.002415 0.003940 0.003303 28O 1dyz -0.002223 -0.001404 -0.001031 0.001235 -0.003674 0.004216 28O 1dx2y2 -0.001453 0.000006 0.002061 0.000098 0.000324 -0.004081 28O 1dxy 0.001334 0.001519 -0.000457 0.001706 0.001486 -0.000388 28O 2dz2 -0.009443 -0.041980 -0.005264 0.028589 0.008350 0.087819 28O 2dxz -0.011263 -0.074757 -0.017599 0.058748 0.101339 -0.005217 28O 2dyz -0.038158 -0.058015 -0.030835 -0.004651 0.007509 -0.027544 28O 2dx2y2 0.007337 0.032150 -0.046099 -0.002332 0.155149 0.127682 28O 2dxy -0.047120 -0.047989 0.035593 0.044629 0.014386 -0.118673 28O 1f0 0.002252 0.002034 -0.000304 -0.002133 -0.003321 0.000639 28O 1f+1 -0.006411 0.003498 0.006634 -0.004646 -0.002405 0.001132 28O 1f-1 -0.000081 0.000207 0.002262 -0.002981 -0.001413 0.001232 28O 1f+2 -0.001790 -0.004026 -0.000972 0.006164 0.005762 -0.002296 28O 1f-2 0.006128 -0.000885 -0.004298 -0.002382 -0.003208 -0.002652 28O 1f+3 -0.002004 -0.001763 0.001776 0.001826 0.000673 -0.002616 28O 1f-3 0.005579 -0.000257 -0.003646 -0.001554 -0.004568 -0.003295 29O 1s 0.002832 0.004399 0.002030 -0.008492 -0.004912 -0.008500 29O 2s 0.007156 0.010454 0.004358 -0.021746 -0.011715 -0.020350 29O 3s -0.013157 -0.004111 0.008716 0.047733 0.001930 0.002683 29O 4s -0.132092 -0.234072 -0.185822 0.403216 0.322544 0.553370 29O 5s 0.554373 0.670396 0.563273 -1.929396 -0.945482 -1.572746 29O 1pz -0.006568 -0.013427 -0.005548 0.001904 -0.000990 0.006789 29O 1px 0.002492 0.009272 0.004352 -0.015791 -0.006178 -0.003577 29O 1py -0.001093 -0.012466 -0.000623 -0.019425 0.014868 0.028913 29O 2pz -0.021073 0.007108 -0.006749 0.042103 0.068994 0.014960 29O 2px 0.025151 0.044238 0.026217 -0.089626 -0.032188 -0.079176 29O 2py -0.013731 -0.020486 0.012704 0.053507 -0.007412 -0.008915 29O 3pz 0.139130 0.251914 -0.019351 -0.099539 -0.035225 -0.131058 29O 3px -0.139473 -0.436651 -0.098135 0.500580 0.292620 0.467235 29O 3py -0.094467 0.134287 -0.245983 0.351343 0.284325 0.439176 29O 1dz2 0.000730 -0.000537 -0.000082 -0.001249 0.000496 0.000100 29O 1dxz -0.000041 -0.002049 0.000253 -0.003750 0.000176 0.000850 29O 1dyz -0.000149 0.000383 -0.000411 0.000661 0.000434 0.000809 29O 1dx2y2 -0.000796 -0.000074 0.000670 0.004322 -0.001266 -0.001100 29O 1dxy 0.000533 -0.001007 0.001599 -0.002306 -0.001316 -0.001388 29O 2dz2 0.013292 -0.036438 0.066599 -0.076345 -0.113479 -0.127859 29O 2dxz 0.030933 -0.029380 0.014713 -0.107787 0.013385 0.016952 29O 2dyz -0.002056 -0.036930 -0.005351 0.027732 -0.056250 0.002568 29O 2dx2y2 -0.005621 -0.005319 0.021394 0.089072 -0.103156 -0.174404 29O 2dxy 0.010383 -0.007419 -0.011712 -0.089753 0.061385 0.126504 29O 1f0 -0.001997 -0.000087 0.000863 0.008906 -0.001169 -0.003059 29O 1f+1 0.000842 0.000559 -0.000722 -0.004317 0.001591 0.001571 29O 1f-1 -0.001301 0.001098 0.000026 0.005924 0.002209 -0.000877 29O 1f+2 0.001418 -0.000160 -0.000694 -0.006709 0.000186 0.002064 29O 1f-2 -0.001089 -0.001190 0.000585 0.004293 -0.003786 -0.001202 29O 1f+3 0.001094 0.000999 -0.000731 -0.005561 0.001102 0.000106 29O 1f-3 0.000361 0.001115 -0.000302 -0.000050 0.000721 -0.001339 30O 1s 0.005906 0.001391 -0.001458 0.000638 0.004965 0.000724 30O 2s 0.014645 0.002002 -0.003003 0.002716 0.013733 -0.000781 30O 3s -0.024582 0.035729 -0.022749 -0.045061 -0.034515 0.084764 30O 4s -0.227824 -0.298045 0.203262 0.232229 -0.052363 -0.529494 30O 5s 0.853363 -0.104057 0.785952 0.817819 -1.644613 -0.238878 30O 1pz -0.000804 -0.002826 0.003055 0.002472 -0.001326 -0.004497 30O 1px -0.030754 -0.023480 0.014565 0.029306 -0.050569 -0.007008 30O 1py 0.016433 -0.013021 -0.016294 0.009222 0.033649 0.039014 30O 2pz -0.018744 0.134540 -0.090895 -0.162659 0.132164 0.191694 30O 2px -0.053466 -0.187751 0.145958 0.228679 -0.165908 -0.317921 30O 2py 0.052752 -0.106418 0.131404 0.194916 -0.130668 -0.167567 30O 3pz -0.317018 -0.276615 -0.047768 0.426633 -0.091213 0.063537 30O 3px 0.502316 0.074550 0.205211 -0.053207 -0.274677 -0.000155 30O 3py 0.384870 0.519304 0.105981 -0.492109 0.085821 -0.205581 30O 1dz2 0.000496 0.001831 0.002259 0.001462 0.000867 0.000488 30O 1dxz 0.001000 -0.002572 0.000472 -0.000219 -0.001679 -0.002489 30O 1dyz 0.001179 0.002532 0.000403 -0.002346 -0.003796 0.004812 30O 1dx2y2 0.001028 0.004491 0.000488 -0.002278 -0.000756 0.007953 30O 1dxy -0.002657 -0.000103 -0.002881 -0.002502 0.001736 0.000508 30O 2dz2 -0.013175 0.033696 -0.057459 0.031656 0.047072 -0.024266 30O 2dxz -0.057003 0.020969 -0.035317 -0.022535 0.013228 0.032357 30O 2dyz 0.026727 -0.000898 -0.025732 0.051897 0.048345 0.086515 30O 2dx2y2 0.050061 -0.021912 0.028224 -0.081246 -0.129770 -0.059867 30O 2dxy 0.050012 0.006262 0.070474 0.118059 -0.036721 -0.203752 30O 1f0 0.002794 -0.002389 0.002984 0.003842 -0.003787 -0.007550 30O 1f+1 -0.003117 -0.004231 -0.007202 -0.001781 -0.000918 -0.004316 30O 1f-1 -0.000013 -0.003790 -0.002417 -0.001871 -0.001619 -0.001984 30O 1f+2 -0.000124 0.002711 0.001781 0.000102 -0.000591 0.005088 30O 1f-2 -0.003073 0.003063 -0.001611 -0.003753 0.001485 0.011247 30O 1f+3 0.001168 0.004081 0.003895 0.003250 0.002382 -0.000867 30O 1f-3 -0.003458 -0.001458 -0.007189 -0.007306 0.000969 0.009318 31O 1s -0.005999 -0.000985 -0.001550 -0.000534 0.004865 0.000669 31O 2s -0.014831 -0.001172 -0.002878 -0.002438 0.013460 -0.000917 31O 3s 0.023100 -0.029703 -0.032309 0.044479 -0.033910 0.084605 31O 4s 0.241940 0.243795 0.266882 -0.235069 -0.049930 -0.526101 31O 5s -0.804419 -0.061412 0.823338 -0.845880 -1.635237 -0.214468 31O 1pz -0.000096 -0.000301 -0.003448 0.002206 0.001443 0.004873 31O 1px -0.032091 -0.018925 -0.019626 0.030663 0.050236 0.007357 31O 1py 0.016068 -0.018225 0.012091 0.009553 -0.033209 -0.038808 31O 2pz -0.011637 0.109945 0.124064 -0.166127 -0.130912 -0.188920 31O 2px -0.062708 -0.146080 -0.190047 0.232111 0.164562 0.315651 31O 2py 0.043557 -0.074766 -0.157931 0.196987 0.129475 0.165093 31O 3pz -0.318240 -0.266356 -0.019527 0.426805 0.089182 -0.059342 31O 3px 0.492791 0.114778 -0.188625 -0.048989 0.269203 -0.006907 31O 3py 0.387235 0.518663 0.023396 -0.494428 -0.088345 0.196092 31O 1dz2 -0.000451 -0.002398 0.001746 -0.001395 0.000897 0.000462 31O 1dxz -0.000969 0.002394 0.001096 0.000148 -0.001659 -0.002414 31O 1dyz -0.001181 -0.002502 -0.000278 0.002316 -0.003761 0.004907 31O 1dx2y2 -0.001067 -0.004390 -0.000669 0.002310 -0.000764 0.008026 31O 1dxy 0.002514 0.000705 -0.002878 0.002519 0.001677 0.000428 31O 2dz2 0.013166 -0.015843 -0.061843 -0.031490 0.046804 -0.026713 31O 2dxz 0.055773 -0.010757 -0.040073 0.024494 0.013518 0.032901 31O 2dyz -0.028913 0.005004 -0.023335 -0.051957 0.049666 0.086514 31O 2dx2y2 -0.048782 0.014849 0.032760 0.081183 -0.131053 -0.059895 31O 2dxy -0.046702 -0.023428 0.070932 -0.117714 -0.033973 -0.201944 31O 1f0 0.002652 -0.001511 -0.003630 0.003882 0.003790 0.007526 31O 1f+1 -0.002947 -0.005890 0.006016 -0.001594 0.000979 0.004324 31O 1f-1 0.000063 -0.004155 0.001472 -0.001782 0.001641 0.001942 31O 1f+2 -0.000178 0.003003 -0.001067 0.000033 0.000588 -0.005057 31O 1f-2 -0.002975 0.002538 0.002469 -0.003787 -0.001502 -0.011194 31O 1f+3 0.001037 0.004824 -0.002865 0.003138 -0.002421 0.000845 31O 1f-3 -0.003215 -0.003237 0.006843 -0.007223 -0.000866 -0.009198 32O 1s -0.002813 -0.004874 0.000711 0.008440 -0.004924 -0.008508 32O 2s -0.007150 -0.011448 0.001202 0.021586 -0.011756 -0.020351 32O 3s 0.014141 0.001293 0.010516 -0.046946 0.002317 0.002303 32O 4s 0.126203 0.282355 -0.114421 -0.403707 0.322966 0.556440 32O 5s -0.545440 -0.812164 0.341448 1.928167 -0.955894 -1.582340 32O 1pz -0.006168 -0.014273 0.002083 0.002227 0.001294 -0.006072 32O 1px 0.001983 0.010374 -0.001773 -0.015590 0.006276 0.003814 32O 1py -0.001233 -0.013353 -0.002213 -0.019704 -0.014240 -0.028665 32O 2pz -0.021746 0.001579 0.007645 0.038250 -0.068822 -0.015116 32O 2px 0.025007 0.048545 -0.012613 -0.090579 0.033126 0.079101 32O 2py -0.015221 -0.014895 -0.018368 0.053341 0.005583 0.009625 32O 3pz 0.136580 0.233792 0.076333 -0.101152 0.035654 0.135512 32O 3px -0.137503 -0.454480 -0.023010 0.497503 -0.290802 -0.465835 32O 3py -0.087518 0.063119 0.264283 0.354487 -0.291238 -0.443694 32O 1dz2 -0.000720 0.000576 0.000045 0.001249 0.000464 0.000094 32O 1dxz 0.000023 0.001846 0.000639 0.003790 0.000068 0.000824 32O 1dyz 0.000134 -0.000227 -0.000447 -0.000643 0.000411 0.000802 32O 1dx2y2 0.000750 -0.000121 0.000730 -0.004301 -0.001242 -0.001046 32O 1dxy -0.000503 0.000583 0.001768 0.002342 -0.001393 -0.001417 32O 2dz2 -0.014609 0.014163 0.070099 0.076316 -0.111586 -0.128350 32O 2dxz -0.030753 0.026217 0.019780 0.107441 0.010382 0.014170 32O 2dyz -0.000918 0.033024 0.008279 -0.026268 -0.062727 -0.006125 32O 2dx2y2 0.006590 -0.003381 0.023690 -0.090340 -0.102255 -0.176150 32O 2dxy -0.010683 0.009896 -0.009366 0.091377 0.058994 0.122700 32O 1f0 -0.002008 0.000152 -0.001031 0.008468 0.001171 0.003006 32O 1f+1 0.000955 0.000285 0.000964 -0.004641 -0.001681 -0.001670 32O 1f-1 -0.001524 0.000941 0.000075 0.006080 -0.002214 0.000950 32O 1f+2 0.001574 -0.000274 0.000798 -0.006902 -0.000092 -0.002045 32O 1f-2 -0.001071 -0.000739 -0.000915 0.004194 0.003692 0.001133 32O 1f+3 0.001071 0.000641 0.001038 -0.005458 -0.000952 -0.000122 32O 1f-3 0.000318 0.000898 0.000536 0.000020 -0.000712 0.001392 33O 1s 0.001554 -0.007981 0.001457 0.004525 -0.003714 -0.001836 33O 2s 0.004893 -0.018884 0.003916 0.011605 -0.011291 -0.003052 33O 3s -0.024072 0.010809 -0.007290 -0.025142 0.064726 -0.035824 33O 4s 0.069266 0.454786 -0.046584 -0.202515 -0.206037 0.323732 33O 5s -0.187866 -1.240966 -0.259066 0.778528 1.271622 -0.365625 33O 1pz 0.015986 0.014888 -0.007489 -0.024563 0.006405 0.002693 33O 1px 0.000617 -0.044228 0.021200 0.054724 -0.031176 -0.005889 33O 1py 0.020442 -0.033652 0.024232 0.009087 -0.038590 -0.035154 33O 2pz 0.047118 0.032561 -0.046741 -0.053740 0.023874 0.068001 33O 2px 0.000475 -0.150443 0.076788 0.051390 0.023990 -0.107419 33O 2py -0.001625 -0.034851 -0.014992 -0.024428 0.012594 -0.015463 33O 3pz -0.141378 -1.056365 0.169748 0.659918 -0.093877 0.161898 33O 3px 0.284072 0.797508 0.063740 -0.627927 -0.326787 -0.256998 33O 3py -0.084363 -0.265367 0.067549 0.223374 -0.116089 0.143471 33O 1dz2 -0.002844 0.004265 -0.001645 -0.000043 -0.007384 0.000211 33O 1dxz 0.000476 -0.003100 -0.000904 -0.002369 0.004013 0.003336 33O 1dyz 0.002223 0.001722 -0.000680 -0.001322 -0.003720 0.004234 33O 1dx2y2 0.001453 -0.000587 0.001965 -0.000000 0.000375 -0.004061 33O 1dxy -0.001373 -0.001541 -0.000747 -0.001696 0.001574 -0.000400 33O 2dz2 0.009758 0.041898 0.006927 -0.028753 0.005930 0.083429 33O 2dxz 0.012103 0.083136 0.003177 -0.055287 0.101431 -0.005350 33O 2dyz 0.036814 0.063064 -0.015788 0.005179 0.007907 -0.026277 33O 2dx2y2 -0.010578 -0.023051 -0.053280 0.003291 0.153745 0.124361 33O 2dxy 0.048411 0.035521 0.047335 -0.044369 0.016062 -0.119619 33O 1f0 0.002213 0.002141 0.000805 -0.002010 0.003360 -0.000535 33O 1f+1 -0.006399 0.005334 -0.005267 -0.004758 0.002434 -0.001123 33O 1f-1 -0.000084 0.000804 -0.002076 -0.003067 0.001442 -0.001217 33O 1f+2 -0.001844 -0.004594 -0.000231 0.006051 -0.005847 0.002255 33O 1f-2 0.006074 -0.001769 0.003832 -0.002232 0.003288 0.002787 33O 1f+3 -0.002040 -0.001439 -0.002179 0.001710 -0.000729 0.002576 33O 1f-3 0.005614 -0.000937 0.003411 -0.001433 0.004621 0.003356 34O 1s 0.003838 0.002410 0.002071 -0.003962 -0.000319 -0.006998 34O 2s 0.009494 0.004360 0.005212 -0.010357 0.002118 -0.019364 34O 3s -0.001998 0.024246 -0.000106 0.032072 -0.080582 0.061692 34O 4s -0.206713 -0.338469 -0.108932 0.136540 0.463904 0.027673 34O 5s -0.292724 0.743125 -0.342068 -1.202145 -0.089373 1.237765 34O 1pz 0.005967 0.025327 0.000558 0.001419 -0.005218 -0.019898 34O 1px -0.029272 -0.025381 -0.013926 0.055910 -0.008667 0.038866 34O 1py -0.030000 0.019740 -0.039864 0.019237 0.020841 0.048954 34O 2pz -0.007195 0.058234 -0.008511 0.008992 -0.041102 0.005684 34O 2px -0.197473 -0.130481 -0.142272 -0.012840 0.255365 0.114950 34O 2py 0.072192 0.052958 -0.028599 0.039287 -0.028119 -0.059006 34O 3pz 0.312902 0.155386 0.166220 0.077434 0.140580 -0.260034 34O 3px 0.118593 0.940939 0.038631 -1.033817 0.451414 0.365805 34O 3py -0.426218 -0.521355 0.062966 0.237640 -0.321541 0.174153 34O 1dz2 -0.001788 0.000945 0.000451 -0.000251 0.000963 0.003653 34O 1dxz -0.001874 -0.006376 0.001747 -0.002827 0.001870 -0.002530 34O 1dyz 0.000535 0.002902 -0.000522 -0.001724 -0.002619 0.000592 34O 1dx2y2 0.002364 -0.002553 0.002995 -0.001694 -0.004707 -0.003523 34O 1dxy 0.000095 0.000899 0.001435 -0.001741 -0.001295 0.007202 34O 2dz2 -0.007645 0.064255 -0.038417 0.071528 -0.034254 0.033887 34O 2dxz -0.029803 -0.017423 0.040780 0.022491 -0.009842 -0.083938 34O 2dyz -0.048257 0.053796 0.055965 -0.085052 0.036426 -0.050542 34O 2dx2y2 -0.048345 0.094057 -0.105644 -0.043801 0.153143 0.095570 34O 2dxy -0.006174 -0.055762 0.020245 0.021871 -0.098653 0.009499 34O 1f0 -0.002008 -0.004362 0.003828 -0.004771 0.002893 0.001614 34O 1f+1 0.000679 -0.003670 0.003478 0.003863 -0.005476 0.003610 34O 1f-1 -0.000390 -0.001715 0.001176 -0.002760 0.001259 -0.000790 34O 1f+2 0.003444 0.005809 -0.003439 0.001502 -0.003615 -0.004840 34O 1f-2 0.001041 -0.001305 0.003737 -0.003341 0.001217 -0.002404 34O 1f+3 0.000179 -0.008392 0.006315 0.004531 -0.008001 0.003820 34O 1f-3 -0.000401 -0.002604 0.003839 -0.007105 0.003589 -0.003050 35O 1s -0.003865 0.005707 -0.001635 0.000465 -0.002667 0.005235 35O 2s -0.010062 0.012878 -0.003509 0.002300 -0.010017 0.013944 35O 3s 0.027237 0.020607 -0.014039 -0.041050 0.101632 -0.023773 35O 4s 0.079088 -0.464529 0.200170 0.218574 -0.421634 -0.184053 35O 5s -0.471490 -0.096616 0.152307 0.546142 0.286866 -0.917403 35O 1pz 0.005696 0.014842 0.009900 -0.027071 -0.008754 0.026594 35O 1px 0.015447 -0.049501 0.027218 0.022506 0.016182 -0.045204 35O 1py -0.029277 0.009023 -0.028163 0.001929 0.023843 0.028185 35O 2pz 0.016793 -0.065704 0.051816 0.002799 0.026193 -0.025828 35O 2px -0.038660 -0.317656 0.154021 0.276129 -0.232000 -0.220965 35O 2py -0.087743 -0.135873 0.030302 0.096765 -0.087376 -0.117229 35O 3pz -0.043662 0.772564 -0.267927 -0.258012 -0.301404 0.356323 35O 3px -0.125419 0.361117 -0.146570 -0.513840 -0.078897 0.169976 35O 3py -0.019077 0.603426 0.001250 -0.295831 -0.281344 0.218086 35O 1dz2 -0.003306 -0.001564 -0.000585 0.000735 -0.001628 -0.000715 35O 1dxz -0.003510 -0.002204 -0.001036 0.001881 -0.004579 -0.001115 35O 1dyz -0.001753 -0.002613 0.002247 0.002987 -0.005187 -0.001273 35O 1dx2y2 -0.003340 0.004984 -0.004343 -0.000993 0.002624 0.001797 35O 1dxy 0.003574 -0.001055 0.001565 0.001269 -0.001976 0.000698 35O 2dz2 0.094400 -0.025395 0.106438 -0.085466 -0.008787 -0.102253 35O 2dxz -0.014612 -0.022011 0.031996 0.062827 -0.083567 0.030247 35O 2dyz -0.021457 0.062572 -0.076011 -0.028076 0.086349 0.084996 35O 2dx2y2 -0.023455 -0.019238 0.052619 -0.078603 -0.074374 -0.085451 35O 2dxy 0.039951 -0.029717 0.078099 0.045115 -0.156195 -0.091026 35O 1f0 -0.002150 0.000760 -0.003017 -0.000835 0.001468 0.000320 35O 1f+1 0.003647 -0.000886 -0.000111 -0.005352 0.008257 0.000314 35O 1f-1 0.002732 -0.002287 0.002784 -0.000407 0.004108 -0.001621 35O 1f+2 0.005168 0.001800 0.002955 0.002134 -0.001863 0.001873 35O 1f-2 0.001255 -0.002365 0.001810 -0.000717 0.000757 -0.000215 35O 1f+3 -0.007896 0.005494 -0.007478 -0.001366 0.001588 -0.002109 35O 1f-3 0.007240 -0.001032 0.001906 -0.005620 0.011593 0.003504 318 319 320 321 322 323 1.51154 1.52165 1.52230 1.52868 1.53233 1.53612 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s -0.000677 0.000598 -0.000215 0.000430 -0.000656 -0.000715 0Rh 2s 0.007687 -0.002316 0.004209 -0.001935 0.002107 0.002667 0Rh 3s 0.000754 0.002084 0.001322 0.001333 -0.002555 -0.002557 0Rh 4s -0.038045 0.010970 -0.021046 0.009241 -0.009883 -0.012610 0Rh 5s 0.078639 -0.009060 0.048957 -0.009788 0.004658 0.009460 0Rh 6s -0.097362 -0.032528 -0.078868 -0.019627 0.045219 0.043012 0Rh 7s 0.513014 0.018111 0.447634 0.114821 -0.462251 -0.108598 0Rh 8s 0.065077 -0.194782 0.017446 -0.095068 0.130774 0.040814 0Rh 1pz -0.008370 -0.002000 0.006413 0.003680 0.004839 0.000570 0Rh 1px 0.002893 0.006096 0.004905 0.001932 0.002572 -0.003189 0Rh 1py -0.003618 -0.002172 -0.002279 -0.000792 0.002288 0.000434 0Rh 2pz 0.028153 0.006795 -0.023173 -0.012398 -0.015946 -0.001845 0Rh 2px -0.007778 -0.020472 -0.015415 -0.006410 -0.009373 0.010571 0Rh 2py 0.012955 0.007215 0.008297 0.002760 -0.008187 -0.001440 0Rh 3pz 0.000628 -0.001380 0.032659 0.000126 -0.007068 -0.001328 0Rh 3px -0.041079 -0.000933 -0.023480 -0.002101 0.015297 0.003644 0Rh 3py -0.015953 0.002425 -0.012796 -0.001958 0.010133 -0.000649 0Rh 4pz -0.168907 -0.034395 0.009188 0.073218 0.120422 0.014745 0Rh 4px 0.209157 0.124502 0.186665 0.046937 -0.008014 -0.078721 0Rh 4py -0.014725 -0.054568 0.000476 -0.008296 0.007830 0.012690 0Rh 5pz 0.249395 0.051705 0.045896 -0.127612 -0.185314 -0.018204 0Rh 5px -0.385188 -0.209828 -0.328179 -0.085580 0.047970 0.147720 0Rh 5py 0.000029 0.105054 -0.017835 0.009452 0.012828 -0.031075 0Rh 6pz 0.905431 -0.044208 -2.088112 0.267167 -0.426166 0.002051 0Rh 6px 1.132807 0.874538 0.225739 0.299918 -0.480009 -0.870612 0Rh 6py 0.842980 -0.255927 0.576167 0.114783 -0.804811 0.158452 0Rh 1dz2 0.001839 -0.003346 -0.003239 -0.005532 0.003687 -0.003036 0Rh 1dxz -0.003672 -0.004045 0.009668 -0.002813 0.000552 -0.000681 0Rh 1dyz -0.000389 -0.000112 0.002850 0.009375 0.003678 -0.004592 0Rh 1dx2y2 -0.006889 0.002148 0.009404 -0.004887 -0.004965 -0.003804 0Rh 1dxy -0.005217 0.000199 -0.000648 0.000518 0.000485 -0.004817 0Rh 2dz2 -0.000478 0.000576 0.001371 0.000653 -0.001111 0.000196 0Rh 2dxz 0.001088 0.001004 -0.001398 0.000947 0.000289 -0.000125 0Rh 2dyz -0.001292 -0.000274 0.000826 -0.001949 0.000139 -0.000100 0Rh 2dx2y2 0.000260 -0.000628 -0.002245 0.000895 0.001679 0.000570 0Rh 2dxy 0.000004 -0.000312 0.000421 -0.000131 -0.000431 0.000415 0Rh 3dz2 -0.002195 0.005263 0.001438 0.010142 -0.003794 0.006159 0Rh 3dxz 0.003632 0.005012 -0.016302 0.002458 -0.002472 0.002107 0Rh 3dyz 0.006368 0.001409 -0.010087 -0.013264 -0.009079 0.011055 0Rh 3dx2y2 0.014875 -0.002227 -0.012001 0.007428 0.004298 0.006409 0Rh 3dxy 0.012016 0.000908 -0.000290 -0.000637 0.000766 0.009395 0Rh 4dz2 -0.008610 0.011002 0.024673 0.012419 -0.017949 0.006086 0Rh 4dxz 0.022087 0.018072 -0.030506 0.015391 0.002417 -0.000759 0Rh 4dyz -0.016026 -0.003555 0.007212 -0.037018 -0.001889 0.002902 0Rh 4dx2y2 0.008708 -0.011079 -0.041956 0.018022 0.027582 0.010634 0Rh 4dxy 0.005827 -0.004670 0.006494 -0.001947 -0.007307 0.009981 0Rh 5dz2 0.048461 -0.027200 -0.127750 -0.022428 0.055360 -0.039018 0Rh 5dxz -0.131206 -0.055499 0.158725 -0.045927 0.008846 -0.015852 0Rh 5dyz 0.053549 0.018917 -0.013365 0.164282 0.006960 -0.016944 0Rh 5dx2y2 -0.018755 0.023435 0.173138 -0.077435 -0.102581 -0.009340 0Rh 5dxy -0.040399 0.009487 -0.037101 0.003969 0.044169 -0.026770 0Rh 1f0 -0.029240 -0.004492 0.026022 -0.015030 0.008329 -0.008669 0Rh 1f+1 0.003379 -0.016996 0.040328 -0.048526 0.002740 0.016778 0Rh 1f-1 0.025401 -0.000116 -0.013483 0.007016 0.010940 -0.009204 0Rh 1f+2 0.032293 -0.012587 0.059210 0.014166 -0.040782 -0.016517 0Rh 1f-2 0.039254 0.013969 -0.006897 0.007021 -0.013107 0.015231 0Rh 1f+3 0.036618 -0.020301 0.023553 0.004965 -0.009515 0.012939 0Rh 1f-3 -0.008187 0.010632 0.024010 0.007246 -0.000876 -0.016886 1Rh 1s -0.000675 -0.000584 -0.000317 -0.000400 -0.000653 0.000894 1Rh 2s 0.007682 0.001961 0.004598 0.001807 0.002102 -0.003488 1Rh 3s 0.000760 -0.002219 0.000966 -0.001234 -0.002538 0.003099 1Rh 4s -0.038021 -0.009190 -0.022888 -0.008630 -0.009861 0.016553 1Rh 5s 0.078644 0.004793 0.050417 0.009170 0.004705 -0.014036 1Rh 6s -0.097506 0.039765 -0.073080 0.018279 0.044877 -0.048958 1Rh 7s 0.500453 -0.062832 0.449324 -0.097008 -0.463844 0.195432 1Rh 8s 0.050013 0.192828 0.058061 0.089413 0.128021 -0.080969 1Rh 1pz 0.008531 -0.001168 -0.006669 0.003949 -0.004615 0.000638 1Rh 1px -0.003433 0.006507 -0.003593 0.002060 -0.002687 -0.002539 1Rh 1py 0.003600 -0.002458 0.002181 -0.000801 -0.002293 0.000475 1Rh 2pz -0.028693 0.003817 0.024030 -0.013300 0.015201 -0.002024 1Rh 2px 0.009600 -0.021757 0.011012 -0.006867 0.009766 0.008320 1Rh 2py -0.012891 0.008231 -0.007976 0.002793 0.008205 -0.001730 1Rh 3pz -0.000666 0.002258 -0.032521 0.000068 0.006866 -0.002335 1Rh 3px 0.040948 -0.003069 0.023219 -0.001538 -0.015417 0.005079 1Rh 3py 0.015859 0.001302 0.013042 -0.002027 -0.010151 0.002394 1Rh 4pz 0.172220 -0.031027 -0.014726 0.078727 -0.115252 0.019730 1Rh 4px -0.219287 0.140838 -0.159703 0.047347 0.006057 -0.071722 1Rh 4py 0.014748 -0.056159 -0.003636 -0.008340 -0.007539 0.002649 1Rh 5pz -0.254985 0.053502 -0.036875 -0.135639 0.176595 -0.027468 1Rh 5px 0.401325 -0.238514 0.283282 -0.084995 -0.044070 0.141908 1Rh 5py -0.000249 0.105648 0.024710 0.010072 -0.015214 -0.010153 1Rh 6pz -0.880267 -0.294958 2.046531 0.229521 0.444405 0.010977 1Rh 6px -1.187307 0.871645 -0.054726 0.276731 0.445771 -0.906243 1Rh 6py -0.851926 -0.199742 -0.585240 0.103185 0.843349 -0.006486 1Rh 1dz2 0.001678 0.003713 -0.002696 0.005576 0.004026 0.001533 1Rh 1dxz -0.003811 0.002959 0.010180 0.002880 0.000822 -0.000242 1Rh 1dyz -0.000862 -0.000216 0.003057 -0.009428 0.003257 0.004298 1Rh 1dx2y2 -0.006705 -0.003297 0.008896 0.004989 -0.004425 0.005042 1Rh 1dxy -0.005319 -0.000238 -0.000853 -0.000204 0.000105 0.004056 1Rh 2dz2 -0.000418 -0.000753 0.001228 -0.000639 -0.001169 0.000094 1Rh 2dxz 0.001131 -0.000814 -0.001573 -0.000970 0.000211 0.000244 1Rh 2dyz -0.001222 0.000163 0.000800 0.001949 0.000243 0.000089 1Rh 2dx2y2 0.000190 0.000879 -0.002076 -0.000940 0.001614 -0.000943 1Rh 2dxy 0.000001 0.000278 0.000457 0.000094 -0.000384 -0.000009 1Rh 3dz2 -0.002083 -0.005336 0.000803 -0.010301 -0.004336 -0.003919 1Rh 3dxz 0.003768 -0.003327 -0.016728 -0.002523 -0.002761 -0.000475 1Rh 3dyz 0.007154 -0.000181 -0.010448 0.013385 -0.008556 -0.010334 1Rh 3dx2y2 0.014756 0.003797 -0.011564 -0.007474 0.003323 -0.007681 1Rh 3dxy 0.012264 -0.000674 0.000029 0.000069 0.001447 -0.009378 1Rh 4dz2 -0.007594 -0.014069 0.022167 -0.012329 -0.019026 -0.000719 1Rh 4dxz 0.022811 -0.014137 -0.033437 -0.015680 0.001054 0.003213 1Rh 4dyz -0.014555 0.002533 0.006617 0.037074 0.000019 -0.002802 1Rh 4dx2y2 0.007489 0.015829 -0.039030 -0.018696 0.026256 -0.016824 1Rh 4dxy 0.005853 0.004228 0.007201 0.001132 -0.006296 -0.003506 1Rh 5dz2 0.044774 0.042843 -0.120410 0.022939 0.059159 0.019420 1Rh 5dxz -0.132760 0.035332 0.166540 0.045621 0.014622 0.007052 1Rh 5dyz 0.047493 -0.016873 -0.011565 -0.164327 -0.001523 0.016934 1Rh 5dx2y2 -0.015022 -0.043124 0.165473 0.079597 -0.099719 0.032067 1Rh 5dxy -0.040600 -0.006574 -0.038108 -0.000830 0.039664 -0.001029 1Rh 1f0 0.029115 -0.001660 -0.026235 -0.013866 -0.010261 -0.010852 1Rh 1f+1 -0.003510 -0.012331 -0.043130 -0.047667 -0.005417 0.015992 1Rh 1f-1 -0.024698 -0.002272 0.013226 0.007957 -0.011306 -0.012268 1Rh 1f+2 -0.031489 -0.006588 -0.060181 0.013407 0.040208 -0.022887 1Rh 1f-2 -0.039451 0.012218 0.008089 0.007306 0.012254 0.011787 1Rh 1f+3 -0.035961 -0.017582 -0.026003 0.004702 0.011274 0.012619 1Rh 1f-3 0.009261 0.013375 -0.024298 0.006888 0.000283 -0.018399 2C 1s -0.035098 -0.008650 -0.002059 0.031274 0.003445 0.002297 2C 2s -0.108884 -0.026398 -0.007134 0.095184 0.011925 0.006687 2C 3s 1.321897 0.290768 0.120082 -1.033358 -0.158896 -0.072492 2C 4s -3.796496 -0.731242 -0.363556 2.564536 0.491174 0.184863 2C 5s 3.770660 0.801370 1.057423 -4.122253 -0.003542 -0.434172 2C 1pz -0.149973 0.068933 -0.056616 0.267740 0.062848 0.016739 2C 1px -0.102289 -0.053557 0.025398 0.164949 0.034753 -0.021819 2C 1py -0.251022 -0.220899 0.033632 -0.111180 -0.071162 0.017582 2C 2pz 0.245326 -0.204954 0.054273 -1.008467 -0.094575 -0.062294 2C 2px 0.123876 0.201385 -0.022553 -0.464445 -0.009051 0.009862 2C 2py 0.537123 0.729180 -0.155775 0.211708 0.322626 -0.074662 2C 3pz 0.044638 0.192950 0.025704 -0.044981 0.170157 0.006475 2C 3px -0.225779 -0.112438 0.044590 0.222090 0.150027 -0.043488 2C 3py -0.100300 -0.345224 0.307619 -0.507499 -0.181411 -0.068944 2C 1dz2 -0.001952 0.007676 -0.004653 0.004073 0.002279 -0.001372 2C 1dxz 0.006522 -0.002185 -0.003962 0.003256 -0.004055 0.004520 2C 1dyz 0.013822 -0.000160 0.006738 -0.003144 -0.004770 -0.000403 2C 1dx2y2 -0.006437 0.004781 -0.003751 0.000853 0.002728 0.001841 2C 1dxy 0.000959 -0.003646 -0.002455 -0.008612 -0.006025 0.003571 2C 2dz2 0.257864 0.096833 -0.039310 -0.141052 0.015655 0.031698 2C 2dxz 0.000296 0.106783 0.130530 0.132332 0.163849 -0.075517 2C 2dyz 0.246038 0.143892 -0.087883 -0.363618 -0.004955 -0.024276 2C 2dx2y2 0.014855 0.100677 -0.034414 0.190507 0.026612 0.049280 2C 2dxy -0.156694 -0.162461 0.060709 -0.218977 -0.010721 -0.055550 2C 1f0 -0.013683 0.014753 -0.015428 0.032820 -0.000682 0.006131 2C 1f+1 -0.021880 -0.010304 -0.003105 0.000829 -0.012142 0.009229 2C 1f-1 -0.053367 -0.014139 -0.008672 0.031588 0.007849 -0.003039 2C 1f+2 0.068832 0.017026 0.011391 -0.045771 0.006027 -0.024237 2C 1f-2 -0.078705 -0.011666 0.001707 0.068293 0.019873 -0.010189 2C 1f+3 0.055895 0.023852 0.007174 -0.037992 -0.001813 0.001260 2C 1f-3 0.018284 0.003324 -0.005190 -0.017655 0.016823 -0.024233 3C 1s -0.021347 0.024442 -0.030137 0.026834 -0.002468 -0.003343 3C 2s -0.066736 0.074230 -0.093379 0.081098 -0.006011 -0.010149 3C 3s 0.784060 -0.815092 1.117481 -0.884859 0.063868 0.111671 3C 4s -2.080349 2.040613 -3.172203 2.181939 -0.134143 -0.266314 3C 5s 3.570401 -3.082661 3.637027 -4.053819 0.681687 0.428703 3C 1pz -0.077480 0.014987 -0.162910 0.193191 -0.083900 0.023164 3C 1px -0.031202 0.023966 -0.156181 0.282238 -0.077414 0.040455 3C 1py 0.105000 -0.193359 0.132076 -0.006532 -0.015080 0.059577 3C 2pz 0.209431 -0.130711 0.335559 -0.718640 0.335938 -0.029993 3C 2px 0.039559 -0.085041 0.552118 -0.954117 0.279463 -0.141197 3C 2py -0.229632 0.730579 -0.188806 0.196713 -0.078568 -0.227178 3C 3pz 0.313993 -0.268591 -0.000957 -0.093219 -0.156814 0.084796 3C 3px 0.126541 -0.089148 -0.072551 0.261839 -0.135403 0.105704 3C 3py -0.151285 -0.028594 -0.102897 0.453526 -0.219822 0.057714 3C 1dz2 0.008078 -0.004200 0.006526 -0.006142 0.000588 -0.001030 3C 1dxz 0.001497 -0.001103 -0.000046 0.005858 -0.002566 0.004532 3C 1dyz -0.007245 0.004671 -0.010840 0.003365 0.001522 0.000839 3C 1dx2y2 0.000482 -0.003416 -0.010205 0.006354 -0.002553 0.002368 3C 1dxy -0.005896 0.003575 -0.000034 -0.001068 0.004020 -0.001655 3C 2dz2 -0.004956 0.076074 -0.034547 -0.021516 -0.025783 -0.013401 3C 2dxz 0.032390 -0.157030 0.050977 0.142739 -0.015454 0.102986 3C 2dyz 0.020013 0.228557 -0.082141 0.159933 -0.032150 -0.056095 3C 2dx2y2 -0.164588 0.162278 -0.127810 0.373573 -0.148885 0.016467 3C 2dxy -0.093106 0.122352 -0.267806 0.273249 -0.111105 -0.012771 3C 1f0 -0.013682 0.006067 -0.016057 0.027883 -0.009734 -0.000977 3C 1f+1 -0.009491 0.011221 -0.010061 0.015375 0.013297 0.000357 3C 1f-1 -0.015538 0.029498 -0.020230 0.015157 -0.005129 -0.005586 3C 1f+2 0.053139 -0.063046 0.090675 -0.069791 0.009372 0.008714 3C 1f-2 0.041117 -0.044309 0.057552 -0.046689 0.019083 0.009347 3C 1f+3 -0.018078 0.005915 -0.020510 0.033468 -0.003764 0.003912 3C 1f-3 0.008356 -0.000264 0.000620 0.012750 0.006989 0.004675 4C 1s 0.017364 0.002510 0.004393 -0.010248 -0.003187 0.000001 4C 2s 0.055790 0.008330 0.014412 -0.034215 -0.009169 -0.000340 4C 3s -0.747661 -0.121336 -0.230589 0.525403 0.105134 0.025868 4C 4s 1.705275 0.293666 0.518921 -1.485841 -0.146451 -0.119084 4C 5s -1.867393 -0.001208 0.508537 1.354416 0.029940 0.076396 4C 1pz -0.041482 -0.057861 0.085469 0.008417 -0.081607 0.004952 4C 1px 0.033592 -0.029180 0.032623 -0.001464 -0.028179 -0.045936 4C 1py -0.060053 0.088458 -0.154472 0.025219 0.180258 -0.008640 4C 2pz 0.499828 0.243822 -0.406216 -0.602340 0.133312 -0.054463 4C 2px -0.968903 0.102213 0.636885 0.176551 0.249270 0.015487 4C 2py 0.075803 -0.044178 0.378367 -0.339128 -0.128527 -0.033228 4C 3pz -0.436881 -0.089790 1.233147 -0.624967 0.179923 -0.265246 4C 3px 0.355972 0.019077 0.046896 -0.247530 -0.524755 0.204959 4C 3py -0.328083 0.099197 0.476040 -0.336805 0.308101 0.071546 4C 1dz2 0.012445 0.001213 0.010845 0.005728 0.001728 0.001346 4C 1dxz 0.003457 -0.002024 0.002967 0.004415 0.003811 -0.003709 4C 1dyz -0.000276 -0.002646 0.001733 -0.000312 -0.008130 0.000229 4C 1dx2y2 0.008166 -0.002926 0.007322 -0.015665 0.008688 -0.004028 4C 1dxy 0.004506 0.009795 -0.000657 0.005920 0.000630 0.000378 4C 2dz2 0.416597 -0.121544 -0.208141 0.035182 -0.210624 0.134257 4C 2dxz -0.568251 0.003267 0.302917 0.370706 0.214820 -0.112610 4C 2dyz 0.157944 -0.020776 0.061076 0.115197 -0.090498 0.007896 4C 2dx2y2 0.005372 0.044571 0.204076 -0.242403 0.075636 -0.030349 4C 2dxy -0.362411 0.126253 0.473113 0.032103 0.191495 -0.129446 4C 1f0 -0.026391 0.014747 -0.010239 0.019043 0.002641 0.000286 4C 1f+1 -0.037798 -0.026095 -0.005443 0.026228 -0.006856 0.006573 4C 1f-1 -0.009229 -0.007933 -0.007745 0.014811 0.005368 -0.004849 4C 1f+2 0.048430 -0.003799 -0.001999 -0.030940 -0.009671 -0.003501 4C 1f-2 -0.007781 0.008086 -0.000655 0.004696 0.005640 0.002070 4C 1f+3 0.016153 0.013329 -0.024253 -0.003587 -0.008639 0.011479 4C 1f-3 -0.007260 0.000389 -0.025709 0.020022 0.011178 -0.001959 5C 1s 0.005787 -0.006575 0.013825 -0.007517 0.002062 0.001587 5C 2s 0.019642 -0.022307 0.044490 -0.026016 0.007466 0.005300 5C 3s -0.376257 0.354804 -0.614701 0.433490 -0.120615 -0.087898 5C 4s 0.912877 -0.915227 1.403061 -1.197345 0.450390 0.257352 5C 5s -0.112046 0.930003 -1.929102 1.169490 -0.424860 -0.420346 5C 1pz -0.153769 0.093953 -0.012631 0.036297 0.150301 -0.016353 5C 1px -0.023488 0.022541 -0.036851 -0.037759 0.078572 0.015746 5C 1py -0.087743 0.052478 0.046397 -0.002037 0.102362 0.008170 5C 2pz 0.347685 -0.400786 -0.142100 -0.373209 0.029118 0.085923 5C 2px -0.014372 -0.193595 1.012866 -0.070079 -0.185596 0.015296 5C 2py 0.082636 0.300800 -0.062121 0.485169 -0.415536 -0.123457 5C 3pz 0.681937 -0.070774 -0.057748 -0.538547 0.336181 -0.099251 5C 3px 0.517253 -0.133576 -0.344068 -0.257126 -0.032990 -0.014722 5C 3py -1.627301 0.451811 0.048486 0.960554 0.105491 0.033894 5C 1dz2 -0.011613 0.003154 -0.008046 0.016283 -0.009121 0.000784 5C 1dxz -0.007597 0.008660 -0.002646 -0.001774 -0.005212 -0.004570 5C 1dyz 0.000007 0.000187 -0.003130 -0.001791 0.007213 -0.000084 5C 1dx2y2 -0.008919 -0.001813 -0.006889 -0.003551 0.000884 -0.001293 5C 1dxy -0.003562 -0.001933 -0.000072 -0.008988 -0.002525 0.000980 5C 2dz2 -0.238443 0.081067 -0.266133 0.159163 -0.015173 0.003297 5C 2dxz -0.132825 0.222242 0.245093 0.193070 -0.137232 -0.059554 5C 2dyz -0.182800 -0.012490 0.161991 -0.042783 0.061709 -0.018996 5C 2dx2y2 0.168753 -0.199944 0.373253 -0.375208 0.122830 0.019891 5C 2dxy 0.101061 -0.106503 -0.647945 -0.068442 0.069708 0.099572 5C 1f0 0.008846 -0.007515 0.006724 0.010268 -0.009116 -0.000017 5C 1f+1 -0.015537 0.023450 -0.023276 0.005112 0.009339 -0.003339 5C 1f-1 -0.003942 0.003341 0.011346 -0.006191 -0.003156 0.001758 5C 1f+2 0.006050 -0.000065 -0.002835 -0.002747 -0.009406 0.001392 5C 1f-2 0.025051 -0.021917 -0.000131 -0.014277 0.007132 0.002122 5C 1f+3 -0.012074 0.002706 -0.055999 0.040391 -0.007392 -0.005322 5C 1f-3 0.028210 -0.029644 0.028018 -0.020855 0.010413 0.006911 6C 1s 0.005670 0.005099 0.014417 0.007515 0.002130 -0.002386 6C 2s 0.019266 0.017571 0.046539 0.025937 0.007791 -0.008083 6C 3s -0.371569 -0.289411 -0.650381 -0.428400 -0.129984 0.135962 6C 4s 0.902727 0.765825 1.498485 1.179158 0.484102 -0.414300 6C 5s -0.124594 -0.702992 -2.023321 -1.127353 -0.437107 0.507866 6C 1pz 0.152379 0.095121 0.024140 0.037914 -0.154049 -0.002058 6C 1px 0.020506 0.018483 0.039540 -0.036344 -0.082001 0.034388 6C 1py 0.085209 0.059570 -0.038596 -0.001395 -0.104340 0.019428 6C 2pz -0.344299 -0.421578 0.092035 -0.368132 -0.031019 0.133149 6C 2px 0.026578 -0.075982 -1.024964 -0.052274 0.184577 -0.076475 6C 2py -0.082917 0.288833 0.096543 0.476925 0.430830 -0.217353 6C 3pz -0.684318 -0.082079 0.045902 -0.519866 -0.372775 -0.001718 6C 3px -0.512144 -0.180892 0.324921 -0.255192 0.020507 -0.003084 6C 3py 1.623720 0.477587 0.011381 0.937887 -0.051969 -0.061726 6C 1dz2 -0.011765 -0.002524 -0.008367 -0.015388 -0.009988 0.000504 6C 1dxz -0.007451 -0.008435 -0.003755 0.002373 -0.004955 0.005052 6C 1dyz 0.000161 0.000246 -0.003166 0.001177 0.007347 -0.000808 6C 1dx2y2 -0.008931 0.002457 -0.006829 0.004057 0.001334 0.000053 6C 1dxy -0.003435 0.001930 0.000203 0.009111 -0.001930 -0.000170 6C 2dz2 -0.238704 -0.054204 -0.272736 -0.150315 -0.022246 0.002470 6C 2dxz -0.127912 -0.250542 0.213531 -0.190589 -0.140151 0.101893 6C 2dyz -0.180605 -0.008553 0.158929 0.033943 0.065850 0.025430 6C 2dx2y2 0.166817 0.157832 0.392098 0.360546 0.139802 -0.053687 6C 2dxy 0.096104 0.180714 -0.623959 0.077468 0.063179 -0.142444 6C 1f0 -0.008932 -0.006738 -0.007330 0.010533 0.009310 -0.002738 6C 1f+1 0.015113 0.020887 0.025781 0.005205 -0.009481 -0.001575 6C 1f-1 0.003997 0.004717 -0.010992 -0.006337 0.002903 0.001343 6C 1f+2 -0.006074 -0.000398 0.002630 -0.003313 0.009461 0.000394 6C 1f-2 -0.024937 -0.022025 -0.002324 -0.014282 -0.007505 0.006496 6C 1f+3 0.012608 -0.003461 0.055652 0.039409 0.009141 -0.007277 6C 1f-3 -0.027495 -0.026566 -0.031619 -0.020043 -0.010801 0.009658 7C 1s 0.017734 -0.002823 0.004301 0.010100 -0.002690 -0.000499 7C 2s 0.056952 -0.009344 0.014158 0.033711 -0.007528 -0.001411 7C 3s -0.761907 0.136995 -0.227733 -0.519148 0.081470 -0.000595 7C 4s 1.743126 -0.327489 0.510828 1.465691 -0.084680 0.031888 7C 5s -1.867041 -0.097012 0.451358 -1.350748 -0.031191 -0.008740 7C 1pz 0.043481 -0.049745 -0.091773 0.005356 0.083631 -0.000043 7C 1px -0.031233 -0.027212 -0.036928 -0.002052 0.027931 -0.053360 7C 1py 0.056687 0.074421 0.164588 0.029864 -0.179928 0.006377 7C 2pz -0.511354 0.192891 0.415612 -0.591684 -0.163802 -0.030152 7C 2px 0.966278 0.185146 -0.617514 0.184478 -0.240176 0.065693 7C 2py -0.074760 -0.009102 -0.392365 -0.335430 0.116617 -0.025096 7C 3pz 0.450064 0.045773 -1.269515 -0.613981 -0.201914 -0.312923 7C 3px -0.364088 0.017121 -0.046904 -0.270930 0.517126 0.174471 7C 3py 0.324497 0.157791 -0.481849 -0.337108 -0.302406 0.080280 7C 1dz2 0.012213 -0.002224 0.010676 -0.006394 0.001305 -0.001441 7C 1dxz 0.003179 0.001991 0.003072 -0.004711 0.003729 0.004072 7C 1dyz -0.000101 0.002343 0.001938 0.000841 -0.008014 0.000803 7C 1dx2y2 0.008241 0.002260 0.007927 0.014867 0.009414 0.002664 7C 1dxy 0.004518 -0.009425 -0.001511 -0.005993 0.000243 -0.000100 7C 2dz2 0.415290 0.147308 -0.197543 -0.028306 -0.215576 -0.115117 7C 2dxz -0.572376 -0.042219 0.294319 -0.375010 0.200589 0.093992 7C 2dyz 0.158771 0.015462 0.058831 -0.110447 -0.094505 0.002518 7C 2dx2y2 0.006289 -0.064493 0.206727 0.237251 0.082350 0.015855 7C 2dxy -0.363828 -0.180730 0.459337 -0.041516 0.192487 0.113889 7C 1f0 0.026418 0.013768 0.012167 0.018338 -0.001733 0.000363 7C 1f+1 0.038353 -0.025772 0.003211 0.025366 0.008098 0.004448 7C 1f-1 0.009625 -0.008558 0.007361 0.015230 -0.004810 -0.005747 7C 1f+2 -0.048829 -0.004661 0.000859 -0.030807 0.007907 -0.004305 7C 1f-2 0.007864 0.008138 0.001674 0.005199 -0.005457 0.002788 7C 1f+3 -0.016457 0.010530 0.025649 -0.004206 0.009140 0.012074 7C 1f-3 0.008053 -0.002390 0.025948 0.020606 -0.010691 -0.003514 8C 1s -0.021220 -0.021000 -0.032782 -0.026144 -0.003407 0.005162 8C 2s -0.066367 -0.063574 -0.101395 -0.079037 -0.008831 0.015477 8C 3s 0.779664 0.688916 1.204815 0.862695 0.093513 -0.170429 8C 4s -2.069590 -1.685101 -3.387476 -2.127858 -0.205652 0.407593 8C 5s 3.562495 2.683762 3.977198 3.938788 0.831118 -0.786256 8C 1pz 0.076720 -0.002890 0.169772 0.189875 0.094305 0.008008 8C 1px 0.034599 0.009106 0.158055 0.277525 0.090869 0.017086 8C 1py -0.101514 -0.177250 -0.150461 -0.004267 0.020849 0.062851 8C 2pz -0.205155 -0.091838 -0.368478 -0.705180 -0.371137 0.037192 8C 2px -0.051139 -0.029506 -0.555689 -0.933612 -0.327104 -0.064441 8C 2py 0.218054 0.703678 0.263970 0.182798 0.067144 -0.263187 8C 3pz -0.313693 -0.272906 -0.021961 -0.088515 0.159840 0.089446 8C 3px -0.119059 -0.093334 0.059844 0.259115 0.150740 0.077909 8C 3py 0.156574 -0.037396 0.104759 0.444324 0.247209 0.007187 8C 1dz2 0.008203 0.003707 0.006993 0.005554 0.000884 0.000938 8C 1dxz 0.001318 0.001121 0.000145 -0.005979 -0.003168 -0.003749 8C 1dyz -0.007303 -0.003576 -0.011169 -0.003166 0.001409 -0.000950 8C 1dx2y2 0.000338 0.004649 -0.009715 -0.006214 -0.002972 -0.001724 8C 1dxy -0.005662 -0.003544 -0.000745 0.000875 0.004319 0.000743 8C 2dz2 -0.003781 -0.071034 -0.042382 0.021604 -0.024032 0.013213 8C 2dxz 0.026333 0.148974 0.066865 -0.146360 -0.028024 -0.101265 8C 2dyz 0.021775 -0.216629 -0.103900 -0.160088 -0.034375 0.074615 8C 2dx2y2 -0.161946 -0.149718 -0.150767 -0.361870 -0.162567 0.016429 8C 2dxy -0.093725 -0.092181 -0.283187 -0.264726 -0.123345 0.036894 8C 1f0 0.013955 0.004575 0.017415 0.027303 0.010880 -0.003859 8C 1f+1 0.008472 0.009093 0.010035 0.014252 -0.013428 0.003991 8C 1f-1 0.015118 0.026995 0.022818 0.014112 0.004935 -0.006423 8C 1f+2 -0.052418 -0.052550 -0.097050 -0.068088 -0.011251 0.012893 8C 1f-2 -0.041110 -0.038712 -0.063457 -0.046101 -0.020598 0.016958 8C 1f+3 0.017868 0.003571 0.020819 0.032438 0.005143 0.002489 8C 1f-3 -0.008517 -0.000669 -0.001163 0.013066 -0.006616 0.005879 9C 1s -0.035686 0.008112 -0.002304 -0.031342 0.001771 -0.001131 9C 2s -0.110694 0.024820 -0.007859 -0.095460 0.006794 -0.003233 9C 3s 1.342183 -0.276695 0.126744 1.036066 -0.103575 0.035217 9C 4s -3.849314 0.696979 -0.378417 -2.571166 0.353960 -0.091940 9C 5s 3.808388 -0.828059 1.135493 4.108561 0.188291 0.333964 9C 1pz 0.151570 0.064564 0.067948 0.267747 -0.048563 0.016372 9C 1px 0.103956 -0.042843 -0.019648 0.173205 -0.027570 -0.024990 9C 1py 0.254097 -0.211309 -0.053533 -0.115043 0.064510 0.004567 9C 2pz -0.249472 -0.203464 -0.097881 -1.005202 0.043667 -0.053889 9C 2px -0.128832 0.175585 0.009695 -0.485656 -0.012417 0.027237 9C 2py -0.545976 0.695579 0.219650 0.225622 -0.307764 -0.024466 9C 3pz -0.045989 0.192675 -0.016711 -0.043242 -0.163460 0.017975 9C 3px 0.228044 -0.092445 -0.038811 0.238957 -0.138276 -0.037739 9C 3py 0.107880 -0.310936 -0.352211 -0.508493 0.153413 -0.099501 9C 1dz2 -0.001881 -0.007164 -0.005619 -0.003712 0.002173 0.001334 9C 1dxz 0.006483 0.002634 -0.003937 -0.003165 -0.004414 -0.004344 9C 1dyz 0.013848 -0.000361 0.006995 0.002960 -0.004582 0.000737 9C 1dx2y2 -0.006101 -0.004678 -0.004308 -0.000986 0.002783 -0.002569 9C 1dxy 0.001131 0.003685 -0.002144 0.008903 -0.005610 -0.003110 9C 2dz2 0.259509 -0.085096 -0.041475 0.138031 0.017322 -0.046813 9C 2dxz -0.004320 -0.119434 0.118677 -0.146951 0.154212 0.059591 9C 2dyz 0.256068 -0.129867 -0.089412 0.360257 0.017148 0.009297 9C 2dx2y2 0.018138 -0.098050 -0.045439 -0.197887 0.015194 -0.056516 9C 2dxy -0.154033 0.147510 0.078224 0.219286 0.004289 0.058982 9C 1f0 0.013451 0.013303 0.017431 0.032504 0.002286 0.005665 9C 1f+1 0.022139 -0.009853 0.002467 0.000296 0.012804 0.009631 9C 1f-1 0.053670 -0.014112 0.008165 0.030843 -0.006401 -0.005603 9C 1f+2 -0.071903 0.017260 -0.011224 -0.046823 -0.009225 -0.023709 9C 1f-2 0.078675 -0.009707 -0.000472 0.068310 -0.017846 -0.014102 9C 1f+3 -0.055210 0.023217 -0.006284 -0.036460 0.001251 0.005475 9C 1f-3 -0.021456 0.002976 0.004622 -0.018361 -0.019478 -0.025555 10H 1s -0.057139 -0.002165 -0.002384 0.037400 0.002914 0.004968 10H 2s 0.618252 0.002804 0.215792 -0.449666 0.010655 -0.128857 10H 3s -0.770483 -0.048444 -0.142357 0.632291 0.010108 0.093864 10H 1pz 0.143652 0.009011 0.039084 -0.139031 0.112978 -0.199908 10H 1px -0.077244 0.009332 -0.017180 0.036200 0.037433 -0.034685 10H 1py 0.014499 0.069241 -0.021408 0.017884 -0.162350 0.288287 11H 1s -0.050417 0.002568 -0.009183 0.061603 0.011116 0.008301 11H 2s 0.605451 -0.142762 0.029659 -1.210703 -0.300308 -0.024169 11H 3s -0.856593 0.010530 -0.180535 1.257633 0.220734 0.085347 11H 1pz 0.068563 -0.017612 -0.004537 -0.109791 -0.128710 0.160957 11H 1px 0.144951 0.031072 -0.006369 -0.149923 0.156708 -0.271279 11H 1py 0.009697 0.098983 -0.069822 0.161881 0.152758 -0.159577 12H 1s -0.052490 -0.034933 0.001065 0.024238 -0.011170 0.000859 12H 2s 1.083204 0.725280 -0.055335 -0.187365 0.102795 -0.000343 12H 3s -1.100566 -0.613243 0.044599 0.504957 -0.116223 0.051319 12H 1pz -0.029366 -0.097626 0.053263 -0.092279 -0.043018 0.019313 12H 1px 0.035569 0.030035 0.030648 -0.074222 -0.209031 0.316977 12H 1py 0.226150 0.127973 -0.025057 -0.056344 0.115464 -0.154130 13H 1s -0.027573 0.034873 -0.032619 0.033654 -0.017363 -0.014276 13H 2s 0.541492 -0.569325 0.571743 -0.320377 0.112555 0.176133 13H 3s -0.594788 0.633946 -0.723689 0.477497 -0.076587 -0.159923 13H 1pz 0.036383 -0.068611 0.121599 -0.175269 -0.080847 -0.039550 13H 1px -0.076844 0.060807 -0.012918 -0.084642 -0.054615 -0.054371 13H 1py -0.097175 0.091833 -0.075913 0.034474 -0.110282 -0.050058 14H 1s -0.026422 0.026834 -0.064292 0.068151 -0.019327 0.002759 14H 2s 0.488109 -0.343618 0.890709 -1.252415 0.304339 -0.121593 14H 3s -0.547386 0.482757 -0.976875 1.197493 -0.341094 0.060653 14H 1pz 0.052568 -0.022703 0.069997 -0.012632 0.175037 0.049244 14H 1px 0.079232 -0.082585 0.186447 -0.275593 -0.035861 -0.035728 14H 1py -0.039449 0.063825 0.024615 -0.064851 0.073316 -0.025490 15H 1s -0.018628 0.043719 -0.040549 0.022372 -0.005927 -0.007992 15H 2s 0.234704 -0.634751 0.464011 -0.111772 -0.092093 0.177831 15H 3s -0.629595 0.795466 -0.716752 0.524965 0.025762 -0.169444 15H 1pz -0.076155 0.097460 -0.041405 -0.005791 0.012784 -0.038189 15H 1px 0.006870 0.006496 0.061408 -0.023439 0.199956 0.043731 15H 1py -0.036947 0.112953 -0.083760 0.063469 0.047269 -0.000883 16H 1s -0.041709 -0.036686 0.049436 -0.026981 0.012206 0.009527 16H 2s 0.123576 0.344931 -0.101793 0.139342 -0.082808 -0.142508 16H 3s -0.080654 -0.047718 -0.099021 -0.038851 0.028627 0.034863 16H 1pz 0.045136 0.030768 -0.042461 0.008614 -0.021822 -0.013849 16H 1px -0.094135 -0.004965 0.024582 -0.066069 0.082032 0.016500 16H 1py -0.012509 0.002030 -0.014416 0.014218 0.035361 0.024289 17H 1s 0.023423 -0.003749 -0.056506 0.025146 -0.000403 0.018081 17H 2s -0.110324 0.191443 0.281168 -0.102069 -0.061973 -0.221043 17H 3s -0.124553 -0.017846 -0.070664 0.023338 -0.006847 0.074738 17H 1pz 0.021744 -0.038639 0.010055 -0.031885 -0.022679 0.020967 17H 1px 0.005644 0.021903 -0.109329 0.047103 0.029422 -0.001359 17H 1py -0.001421 -0.011626 -0.033118 -0.009883 0.023082 -0.009060 18H 1s 0.022002 0.010606 -0.053789 -0.024590 -0.002110 -0.018456 18H 2s -0.095057 -0.224118 0.239634 0.099812 -0.049668 0.237123 18H 3s -0.127479 0.023846 -0.064118 -0.023379 -0.008713 -0.063904 18H 1pz -0.019789 -0.036425 -0.016944 -0.032718 0.022709 0.015975 18H 1px -0.005256 0.008838 0.109289 0.047883 -0.028602 0.006839 18H 1py 0.000980 -0.016070 0.030977 -0.009720 -0.024439 -0.000760 19H 1s -0.043847 0.029292 0.056501 0.025889 0.014045 -0.011209 19H 2s 0.140623 -0.325365 -0.166443 -0.135817 -0.088551 0.167924 19H 3s -0.083775 0.055951 -0.086393 0.038158 0.029693 -0.034922 19H 1pz -0.046989 0.024550 0.047895 0.006539 0.022877 -0.016571 19H 1px 0.093918 0.000463 -0.027047 -0.061612 -0.087014 0.026796 19H 1py 0.011770 0.000926 0.016374 0.015728 -0.034183 0.029338 20H 1s -0.018016 -0.039186 -0.044864 -0.021590 -0.006140 0.010456 20H 2s 0.229241 0.579205 0.519200 0.109080 -0.101633 -0.190412 20H 3s -0.625935 -0.714525 -0.794036 -0.508690 0.016222 0.215959 20H 1pz 0.075558 0.093372 0.049642 -0.007926 -0.017483 -0.041286 20H 1px -0.008522 0.010174 -0.061671 -0.018958 -0.204457 0.106169 20H 1py 0.035530 0.102102 0.094572 0.064054 -0.047838 0.012089 21H 1s -0.026300 -0.019631 -0.067150 -0.066533 -0.022264 0.002261 21H 2s 0.492383 0.248898 0.932422 1.228030 0.362747 0.032138 21H 3s -0.552684 -0.376051 -1.030879 -1.169466 -0.395366 0.043173 21H 1pz -0.051717 -0.016574 -0.075866 -0.009720 -0.177715 0.102299 21H 1px -0.080418 -0.061710 -0.194657 -0.271983 0.026783 -0.048017 21H 1py 0.037240 0.065456 -0.018805 -0.065643 -0.080161 -0.005059 22H 1s -0.027166 -0.031199 -0.036953 -0.032491 -0.017644 0.018762 22H 2s 0.528161 0.502782 0.643110 0.303606 0.113961 -0.211915 22H 3s -0.584529 -0.549559 -0.799522 -0.458421 -0.085950 0.195311 22H 1pz -0.035579 -0.052679 -0.128984 -0.175560 0.075591 -0.069429 22H 1px 0.073646 0.059436 0.021691 -0.085584 0.049134 -0.073556 22H 1py 0.096648 0.084950 0.086097 0.029095 0.110966 -0.088370 23H 1s -0.053658 0.033773 0.003471 -0.023461 -0.011706 0.003594 23H 2s 1.099202 -0.689100 -0.104951 0.176771 0.107187 -0.057202 23H 3s -1.114896 0.578726 0.073025 -0.499310 -0.138794 0.001169 23H 1pz 0.030721 -0.090102 -0.062143 -0.091963 0.038845 0.016039 23H 1px -0.033411 0.030889 -0.032585 -0.089270 0.232756 0.354746 23H 1py -0.229261 0.119515 0.033329 -0.048264 -0.126500 -0.154971 24H 1s -0.050957 -0.002504 -0.011520 -0.061462 0.007586 -0.008251 24H 2s 0.624286 0.150475 0.076668 1.229464 -0.231039 0.020020 24H 3s -0.869774 -0.010615 -0.221171 -1.265565 0.151514 -0.076038 24H 1pz -0.069754 -0.017808 -0.000048 -0.116877 0.137351 0.182154 24H 1px -0.147581 0.023114 0.001345 -0.143349 -0.182595 -0.291731 24H 1py -0.011268 0.090212 0.082391 0.169295 -0.159232 -0.175861 25H 1s -0.057142 0.001348 -0.003356 -0.036868 0.001605 -0.004905 25H 2s 0.620117 -0.020570 0.221652 0.436810 0.032314 0.112038 25H 3s -0.776715 0.052980 -0.153698 -0.623164 -0.020736 -0.068359 25H 1pz -0.144811 0.008919 -0.042754 -0.130233 -0.134416 -0.215676 25H 1px 0.077188 0.005816 0.015847 0.035128 -0.042690 -0.046747 25H 1py -0.014493 0.067724 0.027241 0.005275 0.185578 0.321688 26O 1s -0.003959 0.000055 0.002814 0.003328 0.002593 -0.003948 26O 2s -0.011183 -0.000712 0.007103 0.009044 0.006472 -0.009911 26O 3s 0.033392 0.022218 0.012735 -0.037103 -0.005266 0.010315 26O 4s 0.100075 -0.121068 -0.229768 -0.024240 -0.137225 0.188546 26O 5s 1.077087 -0.216008 -1.694402 0.706932 -0.259664 -0.159906 26O 1pz 0.035847 0.036126 -0.054153 -0.022263 0.007043 0.008160 26O 1px -0.043023 0.030618 0.024740 0.011790 0.032012 -0.020223 26O 1py -0.003512 -0.066556 0.012630 0.007469 -0.018381 0.003858 26O 2pz -0.041916 0.016305 0.054748 -0.035901 0.018634 -0.010304 26O 2px -0.193805 0.094122 0.376892 -0.070739 0.116103 -0.086783 26O 2py -0.106858 0.022723 0.171985 -0.058748 0.080960 -0.031959 26O 3pz 0.350556 -0.112069 -0.212093 -0.109300 -0.330259 0.142114 26O 3px -0.137288 -0.090550 0.096352 -0.313165 -0.081757 0.169212 26O 3py 0.236930 0.176088 -0.384371 -0.087503 -0.167310 0.055331 26O 1dz2 0.004558 -0.000837 -0.002033 0.000676 -0.001403 0.000979 26O 1dxz -0.000807 0.000959 -0.000192 -0.001936 -0.000762 0.000389 26O 1dyz 0.001617 -0.000798 -0.000064 -0.001400 -0.000833 0.000997 26O 1dx2y2 -0.003133 0.001447 0.002386 0.001511 0.000078 -0.001011 26O 1dxy -0.002921 -0.000299 -0.000114 -0.000501 0.002548 -0.000823 26O 2dz2 -0.055205 -0.251585 0.182642 -0.023635 -0.100435 -0.056276 26O 2dxz -0.054957 -0.041816 0.003172 -0.001726 -0.083637 0.065220 26O 2dyz 0.027517 0.156093 -0.081603 0.023991 0.048472 0.009640 26O 2dx2y2 0.024491 -0.069141 -0.078393 0.044563 -0.091405 -0.008020 26O 2dxy 0.026517 -0.152229 0.032272 -0.029595 0.000390 -0.022245 26O 1f0 -0.001798 -0.000951 -0.001436 0.001936 0.000744 -0.000200 26O 1f+1 -0.001883 0.000470 -0.007052 0.004339 0.000681 0.000516 26O 1f-1 -0.003440 0.000094 0.000017 0.003229 -0.000036 -0.000691 26O 1f+2 0.004578 0.001785 -0.000014 -0.001044 -0.002267 0.000623 26O 1f-2 -0.000169 -0.001236 0.001981 -0.000146 -0.000715 -0.000137 26O 1f+3 -0.000446 -0.001108 -0.003319 0.002653 0.001841 -0.000550 26O 1f-3 -0.001691 -0.003369 -0.004858 0.003996 -0.000633 0.000134 27O 1s 0.000999 0.000772 0.003230 -0.000875 0.000977 0.000548 27O 2s 0.002425 0.003059 0.005848 -0.000744 0.001603 0.001527 27O 3s 0.008704 -0.035281 0.071754 -0.040595 0.013209 -0.004339 27O 4s -0.079636 0.102158 -0.593092 0.245634 -0.126690 0.016901 27O 5s -0.933665 0.657712 -0.807058 0.650849 0.258114 -0.127043 27O 1pz 0.009627 -0.059722 -0.064048 0.031889 -0.009117 -0.008045 27O 1px 0.009635 -0.006783 0.020240 -0.005015 0.001967 0.000729 27O 1py 0.018146 -0.034316 0.032320 0.011258 -0.026457 -0.005509 27O 2pz -0.001365 -0.008670 -0.042514 0.008606 0.025961 -0.000047 27O 2px 0.160467 -0.125646 0.549660 -0.193957 0.010633 -0.009587 27O 2py -0.056347 0.035237 -0.108922 0.073821 -0.002048 0.003086 27O 3pz -0.207758 0.127706 0.007762 -0.050227 0.071754 0.010384 27O 3px 0.016137 -0.253274 -0.178679 -0.254430 0.139212 0.123603 27O 3py -0.061812 0.086733 0.453074 -0.163896 0.032804 -0.031278 27O 1dz2 0.000661 0.001101 -0.001101 0.001926 -0.000711 -0.000245 27O 1dxz -0.000438 -0.001786 -0.002733 0.000204 0.002581 0.000668 27O 1dyz -0.000987 0.000672 0.001923 -0.000498 -0.000315 -0.001013 27O 1dx2y2 -0.001262 0.000618 0.002140 0.000303 0.001903 -0.000319 27O 1dxy -0.001772 0.001258 0.004286 0.001895 0.000716 -0.001125 27O 2dz2 -0.107641 0.174254 0.269302 -0.200799 0.097190 0.024385 27O 2dxz 0.080789 -0.044197 0.018544 0.046211 0.017158 -0.003376 27O 2dyz 0.020876 -0.110081 -0.071637 0.063021 -0.086547 -0.018421 27O 2dx2y2 -0.071683 0.136893 -0.074390 -0.062457 0.093085 -0.000660 27O 2dxy 0.070697 -0.055887 -0.010612 0.048949 0.048137 0.025697 27O 1f0 0.000136 -0.001300 0.002072 -0.002396 -0.000762 0.001349 27O 1f+1 -0.000811 0.001580 -0.010970 0.004407 -0.000435 -0.000035 27O 1f-1 0.000052 -0.001725 0.001940 -0.001850 0.000066 -0.000299 27O 1f+2 -0.001612 -0.000519 -0.004177 -0.000373 0.002149 0.000466 27O 1f-2 0.000953 -0.000421 0.000698 -0.002322 -0.000425 0.001150 27O 1f+3 -0.003569 0.005589 -0.008965 0.002720 0.000141 -0.001201 27O 1f-3 0.004456 -0.002918 0.005863 -0.002363 -0.001504 0.000484 28O 1s 0.002823 -0.000070 -0.001808 -0.000884 -0.001566 0.003066 28O 2s 0.004059 -0.000295 -0.004279 0.000187 -0.003491 0.008024 28O 3s 0.086717 0.003716 -0.008738 -0.063191 -0.011455 -0.015553 28O 4s -0.614627 0.013070 0.176637 0.325856 0.183028 -0.120985 28O 5s -0.763509 -0.223279 0.068949 0.946751 -0.028008 0.261447 28O 1pz -0.026935 -0.042747 0.036047 0.007935 -0.008201 -0.008609 28O 1px -0.043829 -0.016986 0.048887 0.017086 0.022669 -0.026169 28O 1py -0.034106 0.068020 -0.019671 -0.008334 0.001078 0.015260 28O 2pz 0.358704 -0.009566 -0.092392 -0.219368 -0.122479 0.033099 28O 2px -0.458434 -0.000877 0.137978 0.238420 0.124410 -0.058739 28O 2py 0.053546 0.017322 -0.022771 -0.041006 0.012668 0.007575 28O 3pz -0.361097 0.211173 0.080469 -0.058174 0.501010 -0.236783 28O 3px 0.036053 -0.118395 -0.031711 0.266447 -0.154874 0.226000 28O 3py -0.216922 -0.025897 0.346428 0.075967 0.137329 -0.199639 28O 1dz2 -0.003159 -0.000274 0.003078 -0.001732 0.001180 -0.001511 28O 1dxz -0.000095 0.000711 0.003244 0.002418 -0.000633 -0.000144 28O 1dyz -0.002025 0.002678 0.001120 -0.001059 0.003609 -0.001129 28O 1dx2y2 0.003046 0.000067 -0.001239 -0.000424 -0.001846 0.000873 28O 1dxy 0.001298 -0.002025 0.000520 0.001005 -0.002651 0.000207 28O 2dz2 -0.069363 0.082227 -0.100356 -0.068980 -0.059038 -0.003075 28O 2dxz 0.163607 0.137602 -0.173357 -0.103942 -0.044385 0.036443 28O 2dyz 0.028688 -0.017779 0.035980 0.067055 0.068637 0.004024 28O 2dx2y2 -0.138730 0.147837 -0.077650 0.000723 -0.018975 0.063920 28O 2dxy 0.009766 -0.117374 0.087227 -0.029068 -0.067909 0.026924 28O 1f0 -0.006618 -0.003885 0.003183 0.002131 -0.001103 -0.000689 28O 1f+1 -0.007662 0.001226 -0.004023 0.003296 0.003753 -0.000185 28O 1f-1 0.002881 -0.000114 -0.002594 -0.000751 -0.001129 0.000860 28O 1f+2 0.012418 0.000640 -0.001956 -0.009662 -0.002211 -0.000671 28O 1f-2 -0.001199 -0.002907 0.002712 0.002215 -0.001810 0.000456 28O 1f+3 0.007670 -0.000716 -0.002161 -0.003916 -0.000943 -0.000325 28O 1f-3 -0.000949 -0.001156 0.000737 0.001748 -0.001679 0.000270 29O 1s -0.006024 -0.003257 -0.005648 -0.000934 0.003046 0.003204 29O 2s -0.016401 -0.008503 -0.014532 -0.002402 0.007747 0.008292 29O 3s 0.044174 0.020661 0.022185 0.004465 -0.011593 -0.017634 29O 4s 0.163735 0.150223 0.254240 0.036627 -0.142446 -0.142857 29O 5s -0.520447 -0.725803 -0.725318 -0.121988 0.437024 0.604007 29O 1pz 0.000730 -0.000278 0.014335 0.013275 0.006941 -0.005475 29O 1px -0.018942 -0.002918 -0.008264 0.001391 -0.012640 0.002090 29O 1py 0.023099 -0.007530 0.021469 0.001273 -0.020909 -0.001594 29O 2pz 0.089930 0.051488 -0.105021 0.060968 -0.034616 -0.006859 29O 2px -0.006538 -0.025249 -0.077520 0.013891 0.018232 0.035678 29O 2py 0.022795 0.011345 0.017916 -0.002961 -0.015451 -0.013925 29O 3pz -0.228582 -0.016029 0.012578 -0.058069 0.137946 0.096046 29O 3px 0.376409 0.095990 0.405537 0.040874 -0.192485 -0.129292 29O 3py -0.112691 0.246629 0.027343 0.006217 0.020777 -0.151787 29O 1dz2 -0.000808 -0.000687 0.000998 -0.001151 0.000053 0.000659 29O 1dxz 0.001554 -0.000124 -0.002549 0.002425 -0.001783 -0.000829 29O 1dyz 0.000061 0.001005 -0.001556 0.000594 -0.000122 -0.000714 29O 1dx2y2 0.001897 0.001000 -0.000202 0.000988 0.000440 -0.000616 29O 1dxy 0.002319 -0.001845 0.000602 0.000101 -0.001020 0.000792 29O 2dz2 -0.033800 -0.105057 0.106888 -0.065485 0.025292 0.051952 29O 2dxz 0.130423 -0.020726 -0.104607 0.075264 -0.032612 0.018073 29O 2dyz -0.038994 -0.021372 0.051271 -0.039077 0.029886 -0.020067 29O 2dx2y2 -0.024827 0.009603 -0.120705 0.019891 0.081912 0.000878 29O 2dxy -0.001652 0.006073 0.059727 -0.013896 -0.081123 -0.035640 29O 1f0 0.002038 0.002417 -0.000632 0.000289 0.000274 -0.001278 29O 1f+1 -0.000758 -0.000721 -0.000612 -0.000050 -0.000178 0.000860 29O 1f-1 0.003960 0.003446 -0.004971 0.002230 -0.001317 -0.000965 29O 1f+2 -0.002801 -0.001881 0.001063 -0.000664 -0.000058 0.000493 29O 1f-2 -0.004426 -0.000326 0.006247 -0.002877 0.001144 -0.001509 29O 1f+3 -0.001466 -0.000921 -0.002923 0.000102 0.000508 0.001326 29O 1f-3 0.000472 0.000782 -0.004274 0.001234 0.000557 0.000654 30O 1s 0.000716 0.000019 -0.004136 0.001637 -0.001575 -0.001699 30O 2s 0.001103 0.001504 -0.012035 0.005815 -0.004699 -0.005530 30O 3s 0.022907 -0.040375 0.037879 -0.053223 0.027990 0.034762 30O 4s -0.119667 0.187306 0.092206 0.141103 -0.036746 -0.082263 30O 5s -1.170243 0.509351 1.151481 0.952998 -0.578529 -0.141340 30O 1pz -0.031285 0.060381 0.035877 -0.029103 -0.008110 0.007389 30O 1px -0.022110 0.010760 0.069713 -0.029072 -0.000898 0.008976 30O 1py -0.019238 0.046136 -0.000044 -0.005854 0.005118 -0.009762 30O 2pz 0.110153 -0.084914 -0.100013 -0.125029 0.074705 0.044589 30O 2px -0.146998 0.116299 0.165657 0.109585 -0.046954 -0.057865 30O 2py -0.136003 0.122702 0.119602 0.134671 -0.037882 -0.054818 30O 3pz 0.163169 -0.074218 -0.067077 -0.112610 0.030687 -0.089237 30O 3px -0.079822 0.042102 0.234587 0.259872 -0.215038 0.050358 30O 3py 0.171046 -0.059175 -0.353657 0.185501 -0.258399 0.181610 30O 1dz2 -0.001327 0.000900 0.000609 -0.001379 0.001803 0.000211 30O 1dxz -0.000287 -0.000648 0.003984 0.001234 -0.000909 -0.000380 30O 1dyz -0.000972 0.000892 -0.000760 0.002454 -0.002176 0.000460 30O 1dx2y2 -0.001912 0.001414 -0.001980 0.003159 -0.001303 -0.000093 30O 1dxy -0.000583 -0.002610 -0.004494 -0.000367 0.000443 0.000185 30O 2dz2 0.092143 -0.089709 -0.051018 -0.071195 0.132577 -0.003961 30O 2dxz 0.182122 -0.170668 -0.149259 0.046336 0.005852 -0.018250 30O 2dyz -0.054855 0.047717 0.021317 -0.032971 -0.020672 0.048245 30O 2dx2y2 0.098932 -0.127549 0.009359 0.032153 0.005151 -0.032752 30O 2dxy 0.041920 -0.050765 -0.058336 0.090626 -0.056894 0.022349 30O 1f0 -0.004121 0.003694 0.001987 0.002902 -0.000568 -0.001160 30O 1f+1 0.001866 -0.001447 -0.002840 -0.000301 -0.002279 -0.000526 30O 1f-1 0.002195 -0.002154 -0.001446 0.003074 -0.003375 -0.000054 30O 1f+2 0.000023 -0.001223 -0.000047 -0.001262 0.003107 0.000052 30O 1f-2 0.003263 -0.003729 0.002986 -0.005295 0.002457 0.002515 30O 1f+3 -0.004428 0.003770 -0.002423 0.001546 0.001525 -0.000570 30O 1f-3 0.004535 -0.003574 0.000787 -0.006030 0.002089 0.000885 31O 1s 0.000575 0.000411 -0.004022 -0.001546 -0.001591 0.001968 31O 2s 0.000742 -0.000254 -0.011927 -0.005554 -0.004726 0.006399 31O 3s 0.023374 0.036629 0.042596 0.052395 0.028050 -0.042898 31O 4s -0.113048 -0.197612 0.062722 -0.143816 -0.034571 0.102707 31O 5s -1.175550 -0.656236 1.082894 -0.949695 -0.610775 0.409671 31O 1pz 0.029793 0.064124 -0.028770 -0.029617 0.007521 0.006798 31O 1px 0.020874 0.018897 -0.067106 -0.027993 -0.000633 0.005899 31O 1py 0.018707 0.046364 0.005404 -0.006806 -0.005781 -0.005548 31O 2pz -0.109493 -0.097636 0.087092 -0.125188 -0.076724 0.071892 31O 2px 0.144903 0.136725 -0.148058 0.112956 0.046116 -0.086770 31O 2py 0.134349 0.137768 -0.101844 0.136002 0.039628 -0.079745 31O 3pz -0.165280 -0.082425 0.062219 -0.110762 -0.048271 -0.059145 31O 3px 0.085950 0.069672 -0.233582 0.254978 0.231021 -0.016614 31O 3py -0.166055 -0.103951 0.337278 0.173021 0.281033 0.125976 31O 1dz2 -0.001294 -0.000989 0.000507 0.001327 0.001906 -0.000527 31O 1dxz -0.000310 0.000189 0.003971 -0.001267 -0.001007 0.000601 31O 1dyz -0.000985 -0.000823 -0.000861 -0.002319 -0.002311 0.000116 31O 1dx2y2 -0.001919 -0.001226 -0.002130 -0.002980 -0.001429 0.000467 31O 1dxy -0.000665 0.003074 -0.004095 0.000403 0.000464 -0.000452 31O 2dz2 0.093008 0.096215 -0.039760 0.063574 0.137267 -0.013689 31O 2dxz 0.179129 0.188823 -0.126906 -0.046031 0.002812 0.010117 31O 2dyz -0.052932 -0.050657 0.015419 0.035881 -0.022314 -0.052794 31O 2dx2y2 0.094506 0.127143 0.026201 -0.036070 0.003224 0.047207 31O 2dxy 0.041363 0.057297 -0.052817 -0.089989 -0.061667 -0.008898 31O 1f0 0.004102 0.003964 -0.001485 0.002981 0.000630 -0.001821 31O 1f+1 -0.001880 -0.001811 0.002656 -0.000312 0.002267 -0.000983 31O 1f-1 -0.002091 -0.002332 0.001210 0.002962 0.003573 -0.000382 31O 1f+2 -0.000021 -0.001213 -0.000047 -0.001244 -0.003121 0.000836 31O 1f-2 -0.003310 -0.003424 -0.003368 -0.005288 -0.002483 0.003531 31O 1f+3 0.004366 0.003544 0.002869 0.001506 -0.001570 -0.000299 31O 1f-3 -0.004519 -0.003559 -0.001263 -0.005981 -0.002239 0.001749 32O 1s -0.006209 0.003762 -0.004972 0.000876 0.002991 -0.003690 32O 2s -0.016902 0.009772 -0.012738 0.002256 0.007629 -0.009461 32O 3s 0.045846 -0.021886 0.017060 -0.004259 -0.011899 0.018109 32O 4s 0.170752 -0.176150 0.227195 -0.033857 -0.136705 0.172525 32O 5s -0.564070 0.792921 -0.582445 0.113468 0.418410 -0.693573 32O 1pz 0.000011 0.001441 -0.013796 0.013818 -0.007085 -0.003627 32O 1px 0.019104 -0.003552 0.008244 0.000681 0.013081 -0.002053 32O 1py -0.022115 -0.005474 -0.022760 0.000859 0.021079 -0.007279 32O 2pz -0.091160 0.036104 0.113939 0.058570 0.037961 -0.010578 32O 2px 0.009426 -0.034118 0.070249 0.013515 -0.016996 0.039808 32O 2py -0.026557 0.013111 -0.010445 -0.002250 0.016694 -0.015725 32O 3pz 0.226985 -0.014822 -0.017054 -0.051844 -0.136442 0.106446 32O 3px -0.385573 0.133417 -0.378299 0.035041 0.191874 -0.156956 32O 3py 0.100960 0.250547 0.012914 0.007968 -0.029749 -0.150920 32O 1dz2 -0.000836 0.000570 0.001121 0.001139 0.000054 -0.000548 32O 1dxz 0.001469 0.000434 -0.002529 -0.002315 -0.001902 0.001009 32O 1dyz 0.000109 -0.000793 -0.001656 -0.000560 -0.000124 0.000694 32O 1dx2y2 0.001920 -0.000940 -0.000309 -0.000994 0.000496 0.000394 32O 1dxy 0.002302 0.001802 0.000796 -0.000081 -0.001120 -0.000683 32O 2dz2 -0.035764 0.089933 0.122154 0.061192 0.027326 -0.059431 32O 2dxz 0.127805 0.034496 -0.101209 -0.073357 -0.036374 -0.016839 32O 2dyz -0.039764 0.017466 0.057021 0.038455 0.035742 0.008110 32O 2dx2y2 -0.022914 0.004311 -0.123368 -0.022718 0.081979 -0.021218 32O 2dxy 0.001644 -0.011543 0.050610 0.014609 -0.082158 0.056954 32O 1f0 -0.002019 0.002084 0.000900 0.000182 -0.000355 -0.001010 32O 1f+1 0.000775 -0.000834 0.000573 0.000027 0.000243 0.000762 32O 1f-1 -0.004158 0.002776 0.005634 0.002097 0.001480 -0.001221 32O 1f+2 0.003017 -0.001752 -0.001475 -0.000649 -0.000024 0.000495 32O 1f-2 0.004407 0.000435 -0.006287 -0.002807 -0.001338 -0.001365 32O 1f+3 0.001725 -0.001204 0.002351 -0.000010 -0.000486 0.001334 32O 1f-3 -0.000478 0.000288 0.004335 0.001253 -0.000518 0.000713 33O 1s 0.002944 0.000277 -0.001880 0.000962 -0.001597 -0.003081 33O 2s 0.004342 0.000746 -0.004503 0.000025 -0.003667 -0.007973 33O 3s 0.086870 -0.001520 -0.007180 0.062560 -0.008645 0.014588 33O 4s -0.620096 -0.038960 0.169635 -0.328077 0.173611 0.121056 33O 5s -0.772648 0.201673 0.064527 -0.938211 -0.078088 -0.302374 33O 1pz 0.028310 -0.038498 -0.041588 0.007549 0.007976 -0.010864 33O 1px 0.044297 -0.010735 -0.050237 0.018368 -0.022698 -0.025690 33O 1py 0.033413 0.065773 0.027006 -0.009653 0.000139 0.020337 33O 2pz -0.359640 -0.024611 0.084012 -0.222167 0.113781 0.024991 33O 2px 0.461833 0.019772 -0.131597 0.240465 -0.115548 -0.051488 33O 2py -0.054266 0.013853 0.022522 -0.040582 -0.013035 0.010399 33O 3pz 0.355150 0.224199 -0.055206 -0.033580 -0.502054 -0.186237 33O 3px -0.026694 -0.122906 0.016325 0.255428 0.173723 0.221509 33O 3py 0.219657 0.016916 -0.347832 0.089253 -0.146825 -0.214435 33O 1dz2 -0.003186 -0.000037 0.003182 0.001706 0.001266 0.001442 33O 1dxz -0.000083 -0.001049 0.003083 -0.002417 -0.000713 0.000288 33O 1dyz -0.001961 -0.002781 0.000855 0.000969 0.003683 0.000688 33O 1dx2y2 0.003082 0.000085 -0.001291 0.000440 -0.001843 -0.000627 33O 1dxy 0.001308 0.001990 0.000646 -0.000881 -0.002695 -0.000026 33O 2dz2 -0.066893 -0.071510 -0.110560 0.076990 -0.054423 0.005133 33O 2dxz 0.167238 -0.115430 -0.186335 0.108200 -0.040061 -0.041360 33O 2dyz 0.027140 0.014322 0.038461 -0.072029 0.063735 -0.008953 33O 2dx2y2 -0.136370 -0.141388 -0.095524 0.004955 -0.019571 -0.073484 33O 2dxy 0.009711 0.106245 0.100054 0.030648 -0.066779 -0.022088 33O 1f0 0.006738 -0.003413 -0.003478 0.002070 0.001118 -0.000941 33O 1f+1 0.007624 0.000897 0.004323 0.003296 -0.003656 0.000047 33O 1f-1 -0.002895 -0.000439 0.002505 -0.000852 0.001148 0.000812 33O 1f+2 -0.012534 0.000262 0.001786 -0.009633 0.001719 -0.000725 33O 1f-2 0.001359 -0.002615 -0.003040 0.002162 0.001933 0.000208 33O 1f+3 -0.007726 -0.001058 0.001934 -0.003887 0.000739 -0.000446 33O 1f-3 0.001009 -0.001096 -0.000819 0.001705 0.001809 0.000137 34O 1s 0.001072 -0.001092 0.003115 0.000747 0.001168 -0.000872 34O 2s 0.002652 -0.003574 0.005454 0.000480 0.002054 -0.002179 34O 3s 0.007498 0.026471 0.075074 0.039301 0.013704 0.002716 34O 4s -0.078985 -0.034289 -0.598630 -0.230998 -0.140897 0.009371 34O 5s -0.915744 -0.575641 -0.874804 -0.631125 0.240018 0.065076 34O 1pz -0.008123 -0.066499 0.056814 0.030477 0.011219 -0.008820 34O 1px -0.010529 -0.004186 -0.020334 -0.004108 -0.002453 0.001380 34O 1py -0.018193 -0.031030 -0.035266 0.011463 0.026129 -0.012763 34O 2pz 0.001528 -0.013237 0.041473 0.009556 -0.025463 0.003624 34O 2px -0.159872 -0.064087 -0.556384 -0.183067 -0.019724 -0.012953 34O 2py 0.056101 0.023205 0.111931 0.070979 0.005108 0.000786 34O 3pz 0.207256 0.130109 0.004036 -0.052312 -0.077838 0.027954 34O 3px 0.001929 -0.273898 0.136006 -0.249537 -0.149054 0.153701 34O 3py 0.052770 0.139774 -0.437264 -0.154693 -0.042618 -0.030893 34O 1dz2 0.000657 -0.000964 -0.001238 -0.001855 -0.000833 0.000409 34O 1dxz -0.000478 0.002058 -0.002505 -0.000294 0.002574 -0.000980 34O 1dyz -0.000950 -0.000888 0.001792 0.000484 -0.000245 0.001030 34O 1dx2y2 -0.001252 -0.000864 0.001995 -0.000432 0.001988 0.000192 34O 1dxy -0.001727 -0.001767 0.004089 -0.001924 0.000687 0.001229 34O 2dz2 -0.104081 -0.205282 0.249357 0.193588 0.105857 -0.033680 34O 2dxz 0.078289 0.042562 0.025036 -0.049944 0.014900 0.008502 34O 2dyz 0.017546 0.117021 -0.058584 -0.059050 -0.090566 0.033521 34O 2dx2y2 -0.068308 -0.128213 -0.088739 0.060184 0.095756 -0.016671 34O 2dxy 0.069778 0.057289 -0.004946 -0.051214 0.043996 -0.035963 34O 1f0 -0.000114 -0.001080 -0.002287 -0.002364 0.000770 0.001185 34O 1f+1 0.000772 0.000313 0.010993 0.004306 0.000619 0.000012 34O 1f-1 -0.000015 -0.001503 -0.002120 -0.001844 -0.000136 -0.000262 34O 1f+2 0.001625 -0.000949 0.004079 -0.000451 -0.002148 0.000973 34O 1f-2 -0.000976 -0.000382 -0.000752 -0.002350 0.000418 0.001180 34O 1f+3 0.003476 0.004570 0.009467 0.002640 -0.000114 -0.000995 34O 1f-3 -0.004376 -0.002290 -0.006157 -0.002307 0.001562 0.000350 35O 1s -0.004132 -0.000345 0.002810 -0.003376 0.002462 0.003788 35O 2s -0.011631 -0.000068 0.007147 -0.009133 0.006115 0.009564 35O 3s 0.034658 -0.022752 0.011182 0.036356 -0.003743 -0.012128 35O 4s 0.103356 0.141165 -0.220255 0.031169 -0.136617 -0.172734 35O 5s 1.054524 0.424560 -1.673210 -0.691185 -0.288658 0.231465 35O 1pz -0.036604 0.029556 0.057836 -0.021429 -0.008468 0.007302 35O 1px 0.042771 0.033662 -0.020748 0.012650 -0.032089 -0.018472 35O 1py 0.004429 -0.064609 -0.019892 0.007083 0.019373 -0.001216 35O 2pz 0.041477 0.022252 -0.052883 -0.034590 -0.020190 -0.009182 35O 2px 0.191536 0.136256 -0.367124 -0.064046 -0.120909 -0.067945 35O 2py 0.105737 0.042683 -0.169996 -0.054687 -0.083359 -0.022724 35O 3pz -0.356656 -0.138115 0.200940 -0.120662 0.333531 0.123315 35O 3px 0.134815 -0.077043 -0.118365 -0.313838 0.081948 0.184958 35O 3py -0.243355 0.128533 0.398764 -0.095804 0.163087 0.071390 35O 1dz2 0.004488 0.001090 -0.001874 -0.000631 -0.001438 -0.001015 35O 1dxz -0.000764 -0.000932 -0.000289 0.001965 -0.000708 -0.000493 35O 1dyz 0.001587 0.000803 0.000068 0.001428 -0.000802 -0.001026 35O 1dx2y2 -0.003145 -0.001698 0.002201 -0.001515 -0.000015 0.001042 35O 1dxy -0.002918 0.000276 -0.000072 0.000415 0.002567 0.000478 35O 2dz2 -0.057177 0.229610 0.209079 0.025632 -0.095716 0.074033 35O 2dxz -0.055274 0.039558 0.009281 0.007212 -0.083508 -0.061181 35O 2dyz 0.029911 -0.145763 -0.099997 -0.024446 0.043515 -0.022491 35O 2dx2y2 0.022421 0.078473 -0.070311 -0.039358 -0.091918 0.024410 35O 2dxy 0.024464 0.147689 0.049472 0.027362 0.004290 0.032423 35O 1f0 0.001831 -0.001061 0.001356 0.001958 -0.000690 -0.000334 35O 1f+1 0.002025 -0.000305 0.007100 0.004264 -0.000471 0.000176 35O 1f-1 0.003459 0.000122 0.000193 0.003185 0.000189 -0.000865 35O 1f+2 -0.004603 0.001667 0.000156 -0.001100 0.002233 0.000544 35O 1f-2 0.000203 -0.001051 -0.002136 -0.000141 0.000711 -0.000295 35O 1f+3 0.000478 -0.001430 0.003226 0.002690 -0.001783 -0.000912 35O 1f-3 0.001897 -0.003884 0.004528 0.003891 0.000846 -0.000315 324 325 326 327 328 329 1.53751 1.53975 1.54198 1.54961 1.55437 1.55633 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s 0.000907 -0.001408 -0.000912 -0.001583 0.000037 -0.000259 0Rh 2s -0.004349 0.005303 0.003430 0.006149 -0.000146 0.001026 0Rh 3s 0.002652 -0.005000 -0.003240 -0.005508 0.000127 -0.000889 0Rh 4s 0.020912 -0.025099 -0.016251 -0.029240 0.000699 -0.004907 0Rh 5s -0.025492 0.019260 0.012662 0.025390 -0.000646 0.004864 0Rh 6s -0.026220 0.083804 0.053840 0.083000 -0.001715 0.010706 0Rh 7s 0.377762 -0.249261 -0.351244 -0.906286 0.007773 -0.138483 0Rh 8s -0.193886 0.045616 -0.216565 0.235350 0.001007 0.054648 0Rh 1pz 0.002383 0.003847 -0.002095 -0.003151 -0.000725 0.000676 0Rh 1px -0.002644 -0.004684 0.004445 0.002136 -0.000674 0.001521 0Rh 1py 0.001172 0.001223 -0.003028 0.007914 0.001375 -0.001683 0Rh 2pz -0.008139 -0.012892 0.007168 0.010815 0.002509 -0.002757 0Rh 2px 0.009121 0.015385 -0.015276 -0.008511 0.002409 -0.005415 0Rh 2py -0.003235 -0.004110 0.010155 -0.027117 -0.004671 0.005329 0Rh 3pz 0.002588 -0.001440 -0.002880 -0.004627 -0.002100 0.010004 0Rh 3px -0.004983 0.008333 0.006726 0.028097 -0.003162 0.006266 0Rh 3py -0.014477 -0.000224 0.000572 0.010100 0.001047 0.006762 0Rh 4pz 0.036626 0.083528 -0.027789 -0.042761 -0.001638 -0.023788 0Rh 4px -0.031202 -0.126681 0.061936 -0.064491 0.000122 0.006019 0Rh 4py 0.074126 0.025309 -0.060245 0.116209 0.021926 -0.056098 0Rh 5pz -0.043815 -0.154151 0.026828 0.042539 -0.019566 0.068498 0Rh 5px 0.024559 0.243017 -0.082442 0.158034 -0.011106 0.009209 0Rh 5py -0.134059 -0.045356 0.093814 -0.128975 -0.030594 0.089972 0Rh 6pz -0.311989 0.673305 0.228523 0.446423 0.352814 -1.084972 0Rh 6px 0.193221 -1.582696 -0.040813 -0.488430 0.207463 -0.390939 0Rh 6py 0.540051 -0.051089 0.059756 -1.623354 -0.034492 -0.228900 0Rh 1dz2 -0.006541 0.004864 -0.001592 0.001739 -0.011719 -0.009835 0Rh 1dxz -0.006273 0.003735 -0.001657 0.009766 -0.003286 0.009434 0Rh 1dyz -0.000820 0.007312 0.003804 0.003241 0.004911 -0.025877 0Rh 1dx2y2 0.007452 -0.000839 -0.001245 -0.009758 -0.005724 -0.001877 0Rh 1dxy -0.003760 -0.002513 -0.000386 -0.006963 0.002175 -0.007904 0Rh 2dz2 0.000999 -0.000527 0.000379 -0.000181 0.001955 0.000832 0Rh 2dxz 0.001354 -0.000613 0.000446 -0.002463 0.000588 -0.001621 0Rh 2dyz 0.000130 0.000070 -0.000775 -0.000524 -0.001911 0.002684 0Rh 2dx2y2 -0.001810 0.000455 -0.000037 0.001813 0.000486 0.000069 0Rh 2dxy 0.002323 0.000663 -0.000547 0.000814 -0.000586 -0.000219 0Rh 3dz2 0.010869 -0.009042 0.002026 -0.003277 0.018866 0.019098 0Rh 3dxz 0.008797 -0.006098 0.001878 -0.012211 0.005192 -0.015002 0Rh 3dyz 0.001311 -0.017252 -0.005519 -0.005320 -0.003151 0.048488 0Rh 3dx2y2 -0.009544 0.000013 0.003118 0.014877 0.011351 0.004136 0Rh 3dxy -0.001266 0.002943 0.003364 0.012823 -0.002538 0.019265 0Rh 4dz2 0.019999 -0.011040 0.007768 -0.003824 0.038810 0.022857 0Rh 4dxz 0.023471 -0.010436 0.008785 -0.041736 0.009974 -0.032136 0Rh 4dyz 0.002401 -0.005980 -0.013575 -0.009263 -0.031165 0.062168 0Rh 4dx2y2 -0.031222 0.005383 -0.000838 0.034377 0.010515 0.002051 0Rh 4dxy 0.036022 0.012126 -0.009227 0.015355 -0.009849 0.005091 0Rh 5dz2 -0.075458 0.010949 -0.042227 0.011938 -0.160089 -0.105936 0Rh 5dxz -0.072518 -0.005728 -0.047498 0.142266 -0.023007 0.142004 0Rh 5dyz -0.008094 0.021834 0.040199 0.016435 0.101003 -0.228611 0Rh 5dx2y2 0.108200 0.046233 0.024544 -0.135440 -0.029215 0.001019 0Rh 5dxy -0.147618 -0.031307 0.054706 -0.020098 0.029653 -0.019196 0Rh 1f0 0.015785 0.003584 0.002452 0.035749 0.026970 -0.015281 0Rh 1f+1 0.007581 -0.020191 -0.009315 -0.017920 -0.007307 0.005810 0Rh 1f-1 0.030479 0.017239 -0.022909 0.005083 -0.015643 -0.036235 0Rh 1f+2 0.019583 0.021929 -0.004634 -0.005787 0.016307 -0.007224 0Rh 1f-2 0.016142 -0.023464 -0.013819 0.018226 0.005556 0.004003 0Rh 1f+3 0.001102 0.005073 -0.010633 -0.058950 0.006399 -0.007522 0Rh 1f-3 0.013220 0.003874 0.013283 0.009786 -0.000511 -0.018134 1Rh 1s 0.000704 0.001419 0.000964 -0.001545 0.000031 -0.000255 1Rh 2s -0.003562 -0.005378 -0.003591 0.005986 -0.000124 0.001020 1Rh 3s 0.001940 0.005017 0.003449 -0.005388 0.000107 -0.000873 1Rh 4s 0.017184 0.025467 0.017000 -0.028466 0.000590 -0.004878 1Rh 5s -0.022436 -0.019906 -0.012899 0.024622 -0.000559 0.004911 1Rh 6s -0.014637 -0.083321 -0.057867 0.081178 -0.001490 0.010171 1Rh 7s 0.336254 0.249706 0.389972 -0.903410 0.027029 -0.123761 1Rh 8s -0.184070 -0.049325 0.208766 0.224485 -0.008172 0.074968 1Rh 1pz -0.002474 0.003901 -0.002105 0.003158 -0.001005 -0.000805 1Rh 1px 0.003269 -0.004643 0.004556 -0.002361 -0.000457 -0.001148 1Rh 1py -0.001284 0.001190 -0.002835 -0.008035 0.001473 0.001865 1Rh 2pz 0.008415 -0.013098 0.007231 -0.010819 0.003465 0.003196 1Rh 2px -0.011178 0.015248 -0.015708 0.009262 0.001616 0.004164 1Rh 2py 0.003627 -0.004001 0.009475 0.027526 -0.005018 -0.005953 1Rh 3pz -0.001985 -0.000978 -0.003475 0.004172 -0.002428 -0.010075 1Rh 3px 0.003929 0.008292 0.007927 -0.027977 -0.001869 -0.006342 1Rh 3py 0.014227 -0.000173 0.001236 -0.010131 0.001447 -0.006507 1Rh 4pz -0.040481 0.082944 -0.025793 0.044738 -0.005876 0.021583 1Rh 4px 0.048023 -0.125676 0.059518 0.059624 -0.000524 0.001581 1Rh 4py -0.075715 0.024451 -0.058891 -0.118530 0.022360 0.058743 1Rh 5pz 0.049876 -0.152459 0.022612 -0.046925 -0.014188 -0.065582 1Rh 5px -0.057312 0.241229 -0.075918 -0.150021 -0.007156 -0.020977 1Rh 5py 0.137698 -0.043745 0.093455 0.132897 -0.030060 -0.093851 1Rh 6pz 0.291204 0.647631 0.247323 -0.412578 0.376406 1.086879 1Rh 6px 0.013306 -1.581432 -0.069564 0.457421 0.181909 0.425310 1Rh 6py -0.541533 -0.057762 0.002778 1.611002 -0.072394 0.226176 1Rh 1dz2 -0.006889 -0.004744 0.001593 0.001806 0.011522 -0.009657 1Rh 1dxz -0.006354 -0.003984 0.001515 0.009971 0.002829 0.009667 1Rh 1dyz -0.001763 -0.007177 -0.003734 0.002730 -0.005155 -0.025987 1Rh 1dx2y2 0.006599 0.000710 0.001797 -0.009344 0.006456 -0.002124 1Rh 1dxy -0.004729 0.002488 0.000632 -0.006831 -0.001738 -0.008308 1Rh 2dz2 0.000999 0.000528 -0.000351 -0.000177 -0.001939 0.000730 1Rh 2dxz 0.001317 0.000627 -0.000417 -0.002444 -0.000452 -0.001712 1Rh 2dyz 0.000116 -0.000093 0.000766 -0.000425 0.001938 0.002640 1Rh 2dx2y2 -0.001683 -0.000446 -0.000093 0.001700 -0.000628 0.000186 1Rh 2dxy 0.002361 -0.000635 0.000552 0.000814 0.000582 -0.000172 1Rh 3dz2 0.011662 0.008765 -0.002146 -0.003453 -0.018475 0.019128 1Rh 3dxz 0.009139 0.006617 -0.001672 -0.012774 -0.004708 -0.015147 1Rh 3dyz 0.003554 0.017041 0.005399 -0.004559 0.003606 0.048940 1Rh 3dx2y2 -0.008099 0.000243 -0.003842 0.014404 -0.012445 0.004195 1Rh 3dxy 0.000827 -0.003003 -0.003960 0.012518 0.001535 0.020005 1Rh 4dz2 0.020525 0.010885 -0.007414 -0.003833 -0.038415 0.021171 1Rh 4dxz 0.023137 0.010904 -0.008264 -0.041568 -0.007788 -0.033715 1Rh 4dyz 0.003071 0.005535 0.013341 -0.007394 0.031733 0.061636 1Rh 4dx2y2 -0.028967 -0.005097 -0.001467 0.032378 -0.013122 0.004149 1Rh 4dxy 0.037336 -0.011733 0.009118 0.015232 0.009424 0.006125 1Rh 5dz2 -0.082010 -0.010036 0.041356 0.012576 0.158278 -0.098834 1Rh 5dxz -0.075928 0.003026 0.045865 0.141341 0.016015 0.148438 1Rh 5dyz -0.011346 -0.020362 -0.038514 0.009401 -0.102992 -0.226937 1Rh 5dx2y2 0.108299 -0.047278 -0.016144 -0.128702 0.038744 -0.008913 1Rh 5dxy -0.149149 0.029960 -0.055355 -0.020013 -0.028835 -0.023248 1Rh 1f0 -0.013723 0.003892 0.003044 -0.035833 0.028092 0.015386 1Rh 1f+1 -0.010761 -0.019763 -0.009805 0.016615 -0.008838 -0.007606 1Rh 1f-1 -0.028353 0.016424 -0.022780 -0.004425 -0.015876 0.036084 1Rh 1f+2 -0.015628 0.022789 -0.006576 0.006214 0.015421 0.006790 1Rh 1f-2 -0.019722 -0.023588 -0.013876 -0.018218 0.005541 -0.004825 1Rh 1f+3 -0.002993 0.004953 -0.012127 0.059305 0.003991 0.006461 1Rh 1f-3 -0.009394 0.003847 0.013003 -0.008350 -0.001125 0.018378 2C 1s 0.006779 0.026228 -0.022373 -0.009565 -0.010264 -0.020692 2C 2s 0.020685 0.079374 -0.067530 -0.027775 -0.031365 -0.061903 2C 3s -0.231738 -0.876972 0.749382 0.279235 0.340989 0.753391 2C 4s 0.601412 2.214012 -1.889118 -0.584185 -0.883933 -2.038208 2C 5s -0.309375 -3.868695 3.521948 1.307986 1.739209 3.203275 2C 1pz 0.006934 0.080862 -0.011069 0.053306 0.081346 -0.318549 2C 1px 0.043032 0.157114 -0.128268 -0.091884 -0.195148 -0.074630 2C 1py 0.050534 0.161867 -0.212219 -0.189125 -0.113107 0.005426 2C 2pz -0.029000 -0.387329 0.176879 0.021614 -0.224603 1.050670 2C 2px -0.128701 -0.580581 0.386022 0.357652 0.619188 0.246894 2C 2py -0.169190 -0.614214 0.729927 0.734440 0.400304 0.051535 2C 3pz -0.001501 -0.337208 0.437580 0.332901 0.423977 0.004739 2C 3px 0.058261 0.270022 -0.208830 -0.115024 -0.244240 -0.069846 2C 3py 0.148587 -0.139618 0.060558 -0.308907 -0.140120 0.418592 2C 1dz2 0.001980 -0.001005 -0.002680 0.002101 0.009768 0.000442 2C 1dxz -0.001535 0.009894 -0.000212 -0.004058 -0.003854 -0.001387 2C 1dyz 0.000075 -0.005954 0.005106 -0.003634 -0.004588 0.006201 2C 1dx2y2 -0.004977 -0.003268 0.004248 0.010658 0.009241 -0.002089 2C 1dxy -0.000232 0.010234 -0.006782 -0.006071 -0.000892 0.006706 2C 2dz2 -0.085050 -0.225997 0.242257 0.182520 0.042228 0.174902 2C 2dxz 0.006624 -0.085937 0.091194 0.131415 -0.104889 0.073725 2C 2dyz -0.088188 -0.330036 0.251619 0.199048 0.161608 0.351024 2C 2dx2y2 -0.055180 -0.031579 0.084519 0.095900 0.141438 -0.218935 2C 2dxy 0.049926 0.036937 -0.150886 -0.102270 -0.087825 0.228335 2C 1f0 -0.001736 0.010786 -0.001194 0.004187 0.011790 -0.036946 2C 1f+1 -0.005071 0.010492 -0.011468 -0.005936 -0.001888 -0.002517 2C 1f-1 0.018583 0.034816 -0.032864 -0.017704 -0.012445 -0.044116 2C 1f+2 0.006350 -0.046484 0.036095 0.015014 0.012118 0.057799 2C 1f-2 0.024181 0.053537 -0.048204 -0.021813 -0.025088 -0.059848 2C 1f+3 -0.016113 -0.046181 0.044076 0.021505 0.012310 0.038854 2C 1f-3 0.016370 -0.014525 0.000133 0.002085 0.012496 0.010902 3C 1s 0.010947 -0.008400 0.021867 -0.010814 -0.024696 0.017521 3C 2s 0.032711 -0.025679 0.066064 -0.031648 -0.074723 0.052505 3C 3s -0.358713 0.280918 -0.731435 0.332017 0.827243 -0.653521 3C 4s 0.865238 -0.701680 1.866205 -0.742926 -2.086963 1.813128 3C 5s -1.936069 0.870843 -3.233709 1.147765 4.222797 -2.791715 3C 1pz 0.050752 0.122810 -0.077152 -0.079543 0.081561 0.006655 3C 1px 0.079426 -0.016951 0.129947 -0.165974 0.166440 -0.056191 3C 1py -0.045490 0.107616 -0.176992 -0.008590 0.283526 -0.315888 3C 2pz -0.255795 -0.314952 0.166747 0.395021 -0.160803 -0.064757 3C 2px -0.263421 -0.013614 -0.494076 0.509950 -0.484764 0.206995 3C 2py 0.254221 -0.376438 0.638604 -0.160440 -1.032441 1.014625 3C 3pz -0.100841 0.189955 -0.379111 -0.085584 0.680943 -0.365191 3C 3px 0.054199 -0.070132 0.077979 -0.338808 0.490797 -0.232889 3C 3py 0.179563 0.019756 0.133176 -0.214369 -0.020198 -0.080177 3C 1dz2 0.000056 -0.009094 0.003873 -0.001390 0.008581 0.001691 3C 1dxz 0.002697 0.003151 0.002569 -0.008483 0.012217 -0.009818 3C 1dyz -0.000255 0.001653 0.006405 0.004718 -0.005088 0.008019 3C 1dx2y2 0.001860 0.007664 0.000180 0.002328 0.011339 -0.002786 3C 1dxy -0.003340 -0.002733 -0.010356 -0.002850 -0.001068 0.003484 3C 2dz2 0.003675 -0.020896 0.052459 0.006912 -0.108511 0.103351 3C 2dxz -0.027784 0.010008 -0.107316 -0.174201 0.348758 -0.275997 3C 2dyz 0.107217 -0.223367 0.335605 -0.173430 -0.211488 0.292267 3C 2dx2y2 0.126022 0.035626 -0.009919 -0.279006 -0.013032 0.123134 3C 2dxy 0.105473 0.097980 0.110964 -0.076973 -0.079717 0.113468 3C 1f0 0.012410 0.014669 0.004013 -0.002583 -0.001600 -0.004674 3C 1f+1 -0.011746 -0.015416 -0.015700 -0.015711 -0.013616 0.011267 3C 1f-1 0.006147 -0.021674 0.024696 -0.012995 -0.037428 0.034251 3C 1f+2 -0.025559 0.023093 -0.055779 0.033338 0.065065 -0.071991 3C 1f-2 -0.036174 0.001464 -0.053404 0.010791 0.044439 -0.051462 3C 1f+3 0.006465 -0.008179 0.001759 -0.028174 0.000530 0.004908 3C 1f-3 -0.003856 -0.016472 0.003138 -0.017714 0.016049 -0.008405 4C 1s -0.003992 -0.011914 0.010886 0.004389 0.004950 0.023214 4C 2s -0.013213 -0.039550 0.036181 0.015543 0.016215 0.073947 4C 3s 0.174633 0.607125 -0.543975 -0.256736 -0.258744 -1.003217 4C 4s -0.545150 -1.824216 1.605884 0.962950 0.911347 2.748436 4C 5s 0.284044 1.281790 -0.880121 -0.239840 -0.801289 -1.455850 4C 1pz -0.003413 -0.006354 0.023782 -0.041308 -0.132146 0.024771 4C 1px 0.058281 -0.017317 0.052232 -0.048400 -0.046863 0.000872 4C 1py -0.028861 0.055400 -0.067232 0.139047 0.183786 -0.097723 4C 2pz -0.065687 -0.564149 0.459268 0.412590 0.417778 0.618957 4C 2px -0.253773 -0.000194 -0.191573 0.320479 -0.067598 0.515844 4C 2py -0.075358 -0.467835 0.374413 0.110717 -0.236474 0.738312 4C 3pz 0.458959 -0.759711 0.938278 0.123807 0.260301 0.329666 4C 3px -0.171166 -0.023123 0.416073 -0.120475 -0.118595 0.070553 4C 3py 0.053912 -0.342461 0.596844 0.400565 0.389636 0.087559 4C 1dz2 -0.000678 0.002620 0.000948 -0.005418 -0.010431 0.002343 4C 1dxz 0.005534 0.002323 -0.008221 -0.005873 -0.011999 -0.005312 4C 1dyz 0.003490 0.005112 -0.003650 -0.005471 -0.003269 0.010968 4C 1dx2y2 -0.003916 -0.012905 0.010887 0.008029 -0.006301 0.007202 4C 1dxy 0.002439 -0.009051 0.008666 0.002583 0.016800 -0.003129 4C 2dz2 0.001986 0.268188 -0.076714 -0.286578 -0.090791 -0.318633 4C 2dxz 0.007577 0.028941 -0.284430 0.033231 -0.038859 -0.113033 4C 2dyz 0.027322 0.107347 -0.059523 -0.119027 0.015397 -0.119970 4C 2dx2y2 -0.036283 -0.323251 0.281997 0.275958 0.048973 0.410237 4C 2dxy 0.016516 -0.217909 0.005881 0.109868 -0.043950 0.279636 4C 1f0 0.000781 0.016346 -0.012757 0.000941 0.007330 -0.024242 4C 1f+1 0.008153 0.034923 -0.028735 -0.022773 -0.023149 -0.046108 4C 1f-1 0.008356 0.006852 -0.008568 -0.001650 -0.014455 -0.001459 4C 1f+2 0.002587 -0.030820 0.024579 0.002223 0.010909 0.031918 4C 1f-2 -0.005340 0.010223 -0.007273 0.004847 -0.005429 0.009781 4C 1f+3 -0.006245 0.005611 -0.002786 -0.000247 0.008617 -0.006902 4C 1f-3 0.013296 0.024115 -0.022668 -0.011451 -0.003849 -0.054644 5C 1s -0.004076 0.005001 -0.011581 0.005422 0.011850 -0.020128 5C 2s -0.014050 0.016115 -0.037938 0.018758 0.039393 -0.063686 5C 3s 0.250702 -0.248415 0.532802 -0.286338 -0.622562 0.855011 5C 4s -0.814335 0.859783 -1.542759 1.010655 1.942311 -2.261591 5C 5s 0.428640 -0.325801 1.033066 -0.367069 -1.432498 1.287495 5C 1pz -0.021662 0.079008 -0.054034 0.109927 -0.210553 0.111217 5C 1px -0.075936 -0.045457 -0.036767 0.008701 -0.050766 0.032057 5C 1py -0.022892 0.034162 -0.070491 0.018369 -0.121570 0.019513 5C 2pz -0.275440 -0.000909 -0.166451 0.166427 0.630405 -0.621826 5C 2px 0.408773 0.103910 -0.124605 -0.092545 0.300372 -0.130346 5C 2py 0.401747 -0.243809 0.543783 -0.455054 -0.255777 0.624692 5C 3pz -0.415230 -0.033209 -0.405634 0.006779 0.349380 0.052892 5C 3px -0.073199 0.487094 0.062001 0.761338 0.415824 -0.196311 5C 3py 0.569452 0.127570 0.645647 0.232188 -1.327042 0.239979 5C 1dz2 0.003564 0.002532 0.004879 -0.004228 -0.007720 0.004056 5C 1dxz 0.002479 -0.001953 0.000634 -0.006648 -0.029452 0.005268 5C 1dyz -0.002550 -0.003708 0.000841 0.002547 0.002894 0.010038 5C 1dx2y2 -0.006263 0.006909 -0.014435 0.006219 0.000476 0.004535 5C 1dxy 0.003184 0.008632 -0.001646 0.008583 -0.003479 0.002094 5C 2dz2 0.038410 0.055867 0.115073 0.033089 -0.197318 0.133278 5C 2dxz 0.192550 -0.171482 0.062426 -0.304491 -0.188843 0.263828 5C 2dyz 0.049306 -0.084884 -0.087755 -0.035287 0.011791 0.056848 5C 2dx2y2 -0.163301 -0.068561 -0.351170 0.060353 0.264332 -0.258226 5C 2dxy -0.231590 0.254934 0.063968 0.380344 0.183897 -0.269681 5C 1f0 0.011753 -0.009391 0.009764 -0.012775 0.003425 0.017190 5C 1f+1 -0.004553 -0.006506 0.005951 -0.004770 -0.024059 0.032312 5C 1f-1 0.000793 0.006410 -0.004602 0.002960 0.000149 -0.000338 5C 1f+2 0.001112 0.016463 -0.002513 0.002285 0.010946 0.001376 5C 1f-2 -0.021986 0.002213 -0.021828 0.002637 0.025556 -0.031273 5C 1f+3 0.009822 -0.012911 0.031552 -0.013459 -0.021573 0.018954 5C 1f-3 -0.013954 0.015656 -0.021035 0.016305 0.041712 -0.050235 6C 1s -0.003281 -0.005028 0.011612 0.005348 -0.011945 -0.020734 6C 2s -0.011414 -0.016239 0.038001 0.018520 -0.039759 -0.065619 6C 3s 0.209232 0.251360 -0.533140 -0.280815 0.628548 0.878218 6C 4s -0.690620 -0.866553 1.532718 0.990491 -1.970427 -2.323933 6C 5s 0.308680 0.346205 -1.045011 -0.353312 1.430757 1.294943 6C 1pz 0.026360 0.082425 -0.052331 -0.118452 -0.206245 -0.113106 6C 1px 0.070641 -0.043941 -0.035056 -0.011929 -0.048713 -0.032829 6C 1py 0.022221 0.036556 -0.071413 -0.025433 -0.121172 -0.020472 6C 2pz 0.239325 -0.004322 -0.159882 -0.149875 0.634993 0.635498 6C 2px -0.400745 0.107427 -0.137629 0.094491 0.293302 0.129393 6C 2py -0.356329 -0.248259 0.534122 0.460982 -0.270067 -0.636130 6C 3pz 0.413994 -0.016952 -0.407204 -0.010733 0.355268 -0.046304 6C 3px 0.058096 0.487982 0.070332 -0.748865 0.435139 0.217993 6C 3py -0.537238 0.114461 0.656772 -0.259623 -1.319056 -0.260852 6C 1dz2 0.003358 -0.002031 -0.005015 -0.004413 0.007858 0.004376 6C 1dxz 0.001394 0.002121 -0.000575 -0.006040 0.029689 0.005383 6C 1dyz -0.002605 0.003428 -0.001023 0.002683 -0.003173 0.010179 6C 1dx2y2 -0.006267 -0.006706 0.013881 0.006537 -0.000900 0.004515 6C 1dxy 0.003456 -0.008517 0.001563 0.008734 0.003338 0.002210 6C 2dz2 0.036638 -0.052102 -0.119038 0.033737 0.197397 0.136582 6C 2dxz 0.166785 0.172219 -0.054642 -0.299253 0.195966 0.271621 6C 2dyz 0.041394 0.083391 0.087272 -0.031353 -0.013237 0.058480 6C 2dx2y2 -0.152057 0.063466 0.352221 0.061846 -0.268076 -0.262369 6C 2dxy -0.196512 -0.251137 -0.076083 0.369934 -0.194251 -0.278062 6C 1f0 -0.010918 -0.009407 0.009318 0.012697 0.003120 -0.017663 6C 1f+1 0.005559 -0.006349 0.006236 0.004317 -0.024150 -0.033013 6C 1f-1 -0.001239 0.006301 -0.004626 -0.002868 0.000040 0.000159 6C 1f+2 -0.001609 0.016337 -0.002468 -0.001999 0.010655 -0.001570 6C 1f-2 0.020536 0.002183 -0.021619 -0.002364 0.025700 0.031856 6C 1f+3 -0.007569 -0.013463 0.031690 0.013828 -0.021908 -0.019576 6C 1f-3 0.011468 0.015887 -0.021216 -0.015536 0.041798 0.050913 7C 1s -0.003642 0.011754 -0.011075 0.003814 -0.005032 0.023286 7C 2s -0.012146 0.039004 -0.036813 0.013668 -0.016555 0.074197 7C 3s 0.164623 -0.597273 0.552330 -0.231698 0.267085 -1.005953 7C 4s -0.525506 1.795804 -1.637730 0.894098 -0.947811 2.753119 7C 5s 0.268296 -1.255640 0.880711 -0.179475 0.830470 -1.459306 7C 1pz 0.004604 -0.006494 0.021129 0.037624 -0.134699 -0.026205 7C 1px -0.046154 -0.017640 0.050340 0.049191 -0.050994 -0.001455 7C 1py 0.026759 0.054980 -0.060331 -0.135034 0.192620 0.100109 7C 2pz 0.063298 -0.559320 0.477622 -0.386340 0.439724 -0.619581 7C 2px 0.243190 0.013990 -0.182503 -0.324712 -0.062966 -0.515603 7C 2py 0.079862 -0.458147 0.374852 -0.106346 -0.239104 -0.744177 7C 3pz -0.410065 -0.741829 0.925100 -0.079201 0.262455 -0.340918 7C 3px 0.117391 -0.021745 0.399877 0.124336 -0.116641 -0.065273 7C 3py -0.079595 -0.333009 0.600557 -0.371791 0.415813 -0.092722 7C 1dz2 -0.000342 -0.003043 -0.000417 -0.005480 0.010613 0.002028 7C 1dxz 0.004583 -0.002477 0.008516 -0.005649 0.012526 -0.005287 7C 1dyz 0.003486 -0.004936 0.003623 -0.005394 0.003526 0.011208 7C 1dx2y2 -0.004450 0.012518 -0.011002 0.007909 0.006016 0.007144 7C 1dxy 0.002406 0.008968 -0.008656 0.001925 -0.016442 -0.003170 7C 2dz2 0.027619 -0.262793 0.088006 -0.277753 0.095179 -0.322841 7C 2dxz -0.021915 -0.029911 0.282259 0.039379 0.051295 -0.110187 7C 2dyz 0.027063 -0.105910 0.064661 -0.116643 -0.010232 -0.120876 7C 2dx2y2 -0.038277 0.315616 -0.288686 0.264668 -0.058733 0.413055 7C 2dxy -0.010836 0.210370 -0.008986 0.106907 0.049339 0.284875 7C 1f0 -0.000497 0.015858 -0.012523 -0.000984 0.006820 0.024247 7C 1f+1 -0.008545 0.033971 -0.029210 0.021056 -0.023528 0.045941 7C 1f-1 -0.007040 0.006731 -0.008474 0.001482 -0.014399 0.001364 7C 1f+2 -0.002301 -0.030646 0.024717 -0.001492 0.011565 -0.031975 7C 1f-2 0.004409 0.010526 -0.007192 -0.004829 -0.004947 -0.009490 7C 1f+3 0.004025 0.005017 -0.002513 0.000197 0.009016 0.006572 7C 1f-3 -0.012491 0.023721 -0.023123 0.010966 -0.004281 0.054935 8C 1s 0.009386 0.008645 -0.021785 -0.010550 0.024840 0.017879 8C 2s 0.027997 0.026415 -0.065863 -0.030841 0.075092 0.053571 8C 3s -0.306291 -0.289465 0.731283 0.322965 -0.830436 -0.666990 8C 4s 0.736533 0.724398 -1.873198 -0.720079 2.090512 1.849984 8C 5s -1.710877 -0.922324 3.245319 1.096594 -4.234686 -2.854260 8C 1pz -0.052218 0.117795 -0.074502 0.082565 0.083778 -0.003429 8C 1px -0.080730 -0.020321 0.128486 0.171886 0.153731 0.047287 8C 1py 0.029805 0.105697 -0.176543 0.014928 0.281584 0.320279 8C 2pz 0.247047 -0.298926 0.164275 -0.403159 -0.162875 0.054424 8C 2px 0.271633 -0.002173 -0.488753 -0.530947 -0.443805 -0.180663 8C 2py -0.191730 -0.371612 0.629660 0.139640 -1.033416 -1.029137 8C 3pz 0.074467 0.185002 -0.378526 0.102201 0.682263 0.379536 8C 3px -0.071839 -0.073344 0.072409 0.352432 0.466912 0.219820 8C 3py -0.178523 0.009029 0.134837 0.220663 -0.028932 0.075394 8C 1dz2 -0.000145 0.008923 -0.003704 -0.001636 -0.008662 0.001563 8C 1dxz 0.003631 -0.003251 -0.002282 -0.008955 -0.011547 -0.009652 8C 1dyz -0.000097 -0.001675 -0.006610 0.004733 0.004999 0.008384 8C 1dx2y2 0.002369 -0.007458 -0.000404 0.002058 -0.011357 -0.003009 8C 1dxy -0.003757 0.002667 0.010263 -0.002542 0.000917 0.003522 8C 2dz2 0.001000 0.020982 -0.052181 0.006107 0.105499 0.102581 8C 2dxz -0.008203 -0.011441 0.111837 -0.183194 -0.338274 -0.271318 8C 2dyz 0.088085 0.219943 -0.329649 -0.172520 0.218618 0.302360 8C 2dx2y2 0.118704 -0.029291 0.011768 -0.278314 0.022553 0.128278 8C 2dxy 0.097363 -0.094432 -0.109705 -0.078896 0.080530 0.112685 8C 1f0 -0.011610 0.013659 0.004157 0.003087 -0.001948 0.004651 8C 1f+1 0.012452 -0.015143 -0.016375 0.014649 -0.012530 -0.010214 8C 1f-1 -0.003947 -0.021933 0.024123 0.012553 -0.037587 -0.034888 8C 1f+2 0.021001 0.023832 -0.055174 -0.032882 0.065264 0.073179 8C 1f-2 0.032450 0.002734 -0.054017 -0.010896 0.045312 0.053170 8C 1f+3 -0.006196 -0.008230 0.001327 0.027798 -0.000305 -0.005395 8C 1f-3 0.003464 -0.016105 0.002212 0.018032 0.015657 0.008324 9C 1s 0.006678 -0.025944 0.022619 -0.008895 0.010708 -0.020753 9C 2s 0.020325 -0.078526 0.068221 -0.025789 0.032655 -0.062079 9C 3s -0.226972 0.866590 -0.755709 0.256048 -0.353926 0.755335 9C 4s 0.588271 -2.186278 1.900617 -0.522845 0.910479 -2.042616 9C 5s -0.319406 3.807307 -3.538239 1.160118 -1.804044 3.222837 9C 1pz -0.006450 0.077606 -0.008335 -0.052886 0.080668 0.319597 9C 1px -0.033321 0.155181 -0.127903 0.077847 -0.182628 0.081517 9C 1py -0.053577 0.161275 -0.220090 0.180156 -0.121156 -0.005772 9C 2pz 0.027352 -0.376082 0.175507 -0.018467 -0.212844 -1.055030 9C 2px 0.111123 -0.573383 0.387448 -0.312914 0.578924 -0.268938 9C 2py 0.181444 -0.610297 0.759325 -0.702854 0.431784 -0.050969 9C 3pz -0.004505 -0.333796 0.445637 -0.307884 0.437090 -0.007556 9C 3px -0.041646 0.269585 -0.207016 0.093647 -0.220474 0.083316 9C 3py -0.138404 -0.132058 0.044373 0.311670 -0.153246 -0.419964 9C 1dz2 0.001603 0.001077 0.002525 0.001848 -0.009819 0.000667 9C 1dxz -0.000625 -0.009978 0.000373 -0.003797 0.003271 -0.001709 9C 1dyz 0.000072 0.005791 -0.004909 -0.003765 0.005062 0.006134 9C 1dx2y2 -0.004500 0.003417 -0.004853 0.010521 -0.009350 -0.002227 9C 1dxy 0.000603 -0.009978 0.006793 -0.005599 0.000624 0.006625 9C 2dz2 -0.074659 0.220990 -0.244910 0.173184 -0.050610 0.173252 9C 2dxz -0.011825 0.078909 -0.094542 0.129853 0.093639 0.069195 9C 2dyz -0.085332 0.328739 -0.262384 0.188576 -0.162923 0.353262 9C 2dx2y2 -0.046802 0.032901 -0.089605 0.092648 -0.135817 -0.225565 9C 2dxy 0.038475 -0.032100 0.147239 -0.092386 0.085108 0.229439 9C 1f0 0.000959 0.010152 -0.000685 -0.004073 0.011227 0.036771 9C 1f+1 0.003733 0.010104 -0.011469 0.004994 -0.001994 0.003026 9C 1f-1 -0.016890 0.033728 -0.032811 0.016306 -0.012619 0.043491 9C 1f+2 -0.001767 -0.047384 0.038356 -0.014155 0.014142 -0.059914 9C 1f-2 -0.021100 0.052248 -0.048173 0.019801 -0.025289 0.059258 9C 1f+3 0.015617 -0.044220 0.044009 -0.019825 0.012632 -0.037691 9C 1f-3 -0.011489 -0.016349 0.002633 -0.002129 0.012372 -0.013043 10H 1s -0.004781 0.022014 -0.024872 0.001571 0.007287 -0.055065 10H 2s -0.005230 -0.223800 0.205119 -0.001969 -0.349155 0.684589 10H 3s 0.084899 0.383927 -0.345659 -0.044894 0.120673 -0.614583 10H 1pz 0.152100 -0.121776 0.022890 -0.015149 0.005727 0.141296 10H 1px 0.044894 -0.005677 -0.017292 0.011687 0.083257 -0.071731 10H 1py -0.273108 -0.058519 0.148172 0.133044 0.066658 -0.015265 11H 1s 0.002935 0.043782 -0.027204 -0.007661 -0.010932 -0.074846 11H 2s -0.120361 -0.523054 0.236100 -0.026303 0.227792 0.940472 11H 3s 0.084730 0.809488 -0.529142 -0.061290 -0.278979 -0.941151 11H 1pz -0.161122 -0.046990 0.078683 0.043900 -0.005832 0.099191 11H 1px 0.211821 -0.126546 0.011119 0.003593 0.122829 0.112459 11H 1py 0.133817 0.018107 -0.030022 0.050835 0.087876 -0.113095 12H 1s 0.020566 0.056878 -0.054141 -0.040269 -0.031040 -0.039842 12H 2s -0.318246 -0.904474 0.973872 0.718527 0.586012 0.237160 12H 3s 0.240466 0.973955 -0.931957 -0.690190 -0.662968 -0.351042 12H 1pz -0.001761 0.049309 -0.068498 -0.095936 -0.156666 0.097860 12H 1px -0.298548 -0.089359 0.179070 0.101191 0.026924 0.047834 12H 1py 0.079984 -0.136097 0.101272 0.079654 0.091961 0.065494 13H 1s 0.021488 -0.004835 0.019779 -0.006281 -0.051118 0.062377 13H 2s -0.230563 -0.032076 -0.163180 0.020955 0.808167 -0.736334 13H 3s 0.243920 -0.075838 0.309886 -0.087923 -0.839194 0.642569 13H 1pz 0.119344 0.174231 0.125113 0.220084 0.016217 -0.050759 13H 1px 0.099477 0.106433 0.071827 0.132530 -0.159219 0.110224 13H 1py 0.168707 0.130167 0.215409 0.122101 -0.118649 0.106757 14H 1s 0.021504 0.000238 0.028593 -0.040760 -0.004759 0.023263 14H 2s -0.356046 -0.045746 -0.349003 0.730142 -0.209999 -0.068202 14H 3s 0.440388 -0.049080 0.581617 -0.589289 -0.107590 0.189083 14H 1pz -0.221085 -0.219281 -0.207138 -0.149603 -0.000504 -0.026725 14H 1px 0.046786 0.144364 0.015444 0.232549 0.008233 -0.030802 14H 1py -0.068969 -0.095679 -0.059220 -0.007633 -0.198700 0.125241 15H 1s 0.013706 -0.023269 0.053971 -0.007371 -0.059477 0.070853 15H 2s -0.160677 0.551248 -0.855954 0.063245 0.874082 -0.824420 15H 3s 0.334212 -0.416601 0.906345 -0.120380 -1.103555 0.848381 15H 1pz 0.034888 -0.053850 0.131730 0.037972 -0.200858 0.126757 15H 1px -0.249719 -0.237566 -0.294393 -0.180977 -0.082715 0.023668 15H 1py -0.038525 -0.141565 0.021051 -0.113128 -0.091718 0.117720 16H 1s -0.010506 0.031220 0.002558 0.010403 0.058811 -0.090877 16H 2s 0.187755 -0.391543 -0.029951 -0.197380 -0.351118 0.538315 16H 3s 0.002599 0.123906 0.061482 0.014670 0.083325 -0.222747 16H 1pz 0.007567 -0.036870 0.000653 -0.008911 -0.026048 0.053927 16H 1px -0.031653 -0.014902 0.024909 0.101251 -0.003989 0.009091 16H 1py -0.020595 0.014290 0.003400 0.037694 -0.071253 0.117664 17H 1s -0.001101 0.029560 -0.022625 0.000464 -0.067768 0.078206 17H 2s 0.103519 -0.366853 0.129224 -0.086884 0.415819 -0.515089 17H 3s 0.050081 0.116472 0.003299 0.021170 -0.094241 0.189081 17H 1pz 0.017311 0.003697 -0.024067 -0.060357 0.010911 0.001983 17H 1px -0.039953 0.043556 0.014405 0.122743 -0.040934 0.030305 17H 1py -0.047751 0.021194 0.036728 0.085598 0.064800 -0.114868 18H 1s 0.003875 -0.030210 0.022486 -0.000755 0.067940 0.077608 18H 2s 0.049255 0.368799 -0.123210 -0.077322 -0.407811 -0.522768 18H 3s 0.067299 -0.117138 -0.004219 0.020577 0.093065 0.187351 18H 1pz -0.022946 0.002699 -0.027156 0.061495 0.006512 -0.004045 18H 1px 0.037892 0.043897 0.018034 -0.118445 -0.036780 -0.030707 18H 1py 0.048301 0.020567 0.038579 -0.082439 0.068608 0.113785 19H 1s -0.009037 -0.030260 -0.003218 0.007655 -0.057618 -0.089126 19H 2s 0.155887 0.383061 0.039479 -0.173808 0.356537 0.519720 19H 3s 0.012318 -0.120072 -0.064268 0.008978 -0.083457 -0.221075 19H 1pz -0.005534 -0.036952 -0.000523 0.007415 -0.023882 -0.050106 19H 1px 0.026293 -0.014807 0.029266 -0.100735 -0.000627 -0.009316 19H 1py 0.015574 0.014554 0.006677 -0.039166 -0.068609 -0.118847 20H 1s 0.010762 0.022968 -0.053809 -0.006432 0.059682 0.072676 20H 2s -0.110616 -0.543135 0.850395 0.050596 -0.877823 -0.846833 20H 3s 0.277463 0.416105 -0.904845 -0.104454 1.104907 0.868032 20H 1pz -0.023859 -0.054631 0.129611 -0.040265 -0.201625 -0.130485 20H 1px 0.238214 -0.231851 -0.295105 0.174420 -0.083010 -0.024190 20H 1py 0.041967 -0.140450 0.018423 0.111666 -0.093671 -0.120662 21H 1s 0.020402 0.000798 -0.028731 -0.041419 0.006385 0.024477 21H 2s -0.349477 0.030994 0.343730 0.744595 0.179254 -0.089050 21H 3s 0.421714 0.065466 -0.578206 -0.600040 0.130033 0.206310 21H 1pz 0.208264 -0.213586 -0.207785 0.145199 -0.004857 0.023918 21H 1px -0.046759 0.146565 0.017956 -0.233603 0.016706 0.036716 21H 1py 0.072441 -0.092328 -0.058345 0.000070 -0.196582 -0.125770 22H 1s 0.017104 0.005619 -0.020116 -0.005376 0.050272 0.062365 22H 2s -0.180167 0.022043 0.169773 0.003230 -0.788591 -0.727742 22H 3s 0.193981 0.085066 -0.315965 -0.071536 0.824943 0.637152 22H 1pz -0.114697 0.174320 0.126003 -0.219697 0.018710 0.052226 22H 1px -0.086826 0.103085 0.071705 -0.134025 -0.151641 -0.106440 22H 1py -0.156012 0.127333 0.216173 -0.122033 -0.117141 -0.107645 23H 1s 0.019916 -0.055709 0.055467 -0.037510 0.031801 -0.039906 23H 2s -0.305477 0.890676 -0.992232 0.673620 -0.594528 0.234911 23H 3s 0.234992 -0.962577 0.950832 -0.646970 0.676144 -0.355407 23H 1pz -0.003257 0.050750 -0.073754 0.090262 -0.157478 -0.097334 23H 1px 0.236517 -0.085957 0.173740 -0.097668 0.025152 -0.046147 23H 1py -0.049938 -0.134864 0.108381 -0.072925 0.093786 -0.066773 24H 1s 0.003176 -0.043400 0.027360 -0.006168 0.010354 -0.075459 24H 2s -0.103378 0.522284 -0.236448 -0.039217 -0.212855 0.954179 24H 3s 0.080862 -0.800701 0.527780 -0.037561 0.269416 -0.951238 24H 1pz 0.129518 -0.046014 0.078080 -0.045207 -0.002656 -0.096918 24H 1px -0.160652 -0.126103 0.016498 0.005519 0.116284 -0.119842 24H 1py -0.103451 0.015353 -0.023693 -0.047238 0.092119 0.111706 25H 1s -0.004210 -0.021181 0.024756 0.002422 -0.005314 -0.054820 25H 2s -0.028191 0.214165 -0.206152 0.005507 0.311744 0.679235 25H 3s 0.095072 -0.373875 0.346776 -0.044338 -0.090307 -0.609272 25H 1pz -0.115375 -0.119237 0.024469 0.019896 0.003772 -0.145016 25H 1px -0.041834 -0.006373 -0.018396 -0.005496 0.074247 0.067734 25H 1py 0.216201 -0.058703 0.147215 -0.131291 0.071947 0.018200 26O 1s 0.001133 0.001375 -0.000536 0.001202 0.000960 -0.002364 26O 2s 0.003041 0.005985 -0.001715 0.002178 0.002203 -0.009048 26O 3s -0.014101 -0.075325 0.022032 0.024794 0.005306 0.108257 26O 4s -0.021636 0.300961 -0.056024 -0.180982 -0.082336 -0.422561 26O 5s 0.442456 0.831897 -0.752761 -0.843549 0.118941 -1.409683 26O 1pz 0.009876 0.007995 -0.018450 -0.009342 0.000520 -0.004161 26O 1px 0.007646 0.005269 -0.011683 0.012948 0.002683 0.002489 26O 1py 0.029283 -0.022484 0.008413 -0.015647 -0.018736 0.001021 26O 2pz 0.006835 -0.059353 0.042286 0.031072 0.004765 0.070372 26O 2px -0.041726 -0.282995 0.096184 0.174885 0.030708 0.390639 26O 2py -0.011379 -0.136019 0.045878 0.092141 0.021639 0.192845 26O 3pz -0.095706 0.189228 0.093881 -0.128370 -0.052401 0.074964 26O 3px -0.215630 -0.057088 0.398965 0.295658 0.055511 0.573631 26O 3py -0.236612 0.102133 0.246432 0.252420 0.139145 0.145630 26O 1dz2 -0.001004 0.000869 0.000701 -0.001362 -0.001547 -0.001894 26O 1dxz -0.001297 -0.001212 0.002510 0.001185 -0.001182 0.000658 26O 1dyz -0.000918 0.001454 0.000397 0.000452 -0.000421 -0.001287 26O 1dx2y2 0.000658 -0.001233 0.000743 -0.001184 -0.000241 0.001802 26O 1dxy -0.001099 -0.001231 0.001574 0.003838 0.000565 0.000595 26O 2dz2 0.068811 -0.065909 0.069766 -0.041539 -0.034496 0.131570 26O 2dxz -0.030044 -0.022033 -0.003901 -0.006949 0.014186 -0.050155 26O 2dyz -0.057442 0.062303 0.016560 0.037519 0.061209 -0.012063 26O 2dx2y2 0.071768 0.022113 0.019615 -0.051945 0.049997 -0.110211 26O 2dxy 0.055453 -0.001037 -0.006740 -0.066209 -0.079128 -0.088488 26O 1f0 0.000647 0.001059 -0.000487 0.001634 0.003069 -0.002957 26O 1f+1 0.002440 0.005683 -0.003925 -0.001591 0.001184 -0.010482 26O 1f-1 0.001285 0.002832 -0.002392 -0.001616 -0.001264 -0.005352 26O 1f+2 -0.000374 -0.001221 0.002033 0.001170 0.000495 0.001759 26O 1f-2 0.000959 -0.002224 0.000223 -0.000700 -0.001062 0.001132 26O 1f+3 0.002821 0.002356 -0.002265 -0.001584 0.002300 -0.005823 26O 1f-3 0.002692 0.007278 -0.003669 -0.005050 -0.005162 -0.011449 27O 1s -0.001414 -0.004889 -0.002176 -0.000819 -0.002045 0.003899 27O 2s -0.002836 -0.012707 -0.003942 -0.002583 -0.006772 0.012826 27O 3s -0.007582 0.027531 -0.038055 0.015023 0.059198 -0.097416 27O 4s 0.109318 0.201366 0.304932 0.016338 -0.161642 0.297730 27O 5s -0.183647 -0.699879 0.515182 -0.182729 -0.959854 0.306002 27O 1pz 0.003981 -0.005171 0.027279 -0.018406 0.007735 -0.034027 27O 1px -0.004418 -0.031222 0.005176 -0.037135 -0.000594 0.006218 27O 1py 0.032867 -0.016576 0.011648 -0.003555 -0.005646 0.009135 27O 2pz -0.011822 0.015650 0.007943 0.006343 0.014942 -0.010531 27O 2px 0.012523 -0.059854 -0.239801 -0.096998 0.218038 -0.193176 27O 2py 0.014922 0.014105 0.052472 0.022854 -0.088556 0.057947 27O 3pz -0.060553 0.047194 0.044385 0.329884 -0.148429 0.055291 27O 3px -0.164773 0.633777 -0.199127 0.827865 0.457426 -0.400296 27O 3py 0.029508 -0.319693 -0.148308 -0.543180 -0.140535 0.396559 27O 1dz2 0.000853 0.000425 -0.000083 -0.001405 -0.001064 -0.001336 27O 1dxz -0.000899 0.001630 0.000101 0.003767 0.000167 0.000679 27O 1dyz 0.000065 -0.001638 -0.000315 -0.000896 0.000353 -0.000966 27O 1dx2y2 0.000002 -0.000397 -0.002396 -0.000394 0.000375 -0.000231 27O 1dxy 0.001274 -0.002347 0.000014 -0.004130 -0.002876 -0.000542 27O 2dz2 -0.030000 0.088929 -0.076158 0.078787 0.010331 0.044034 27O 2dxz 0.026977 0.024612 0.028929 0.028248 0.095786 -0.020439 27O 2dyz 0.059879 0.025844 0.027245 -0.056394 -0.060721 0.010858 27O 2dx2y2 -0.059785 -0.009910 0.010520 0.031589 -0.071573 0.110532 27O 2dxy -0.046198 -0.075687 -0.005096 -0.040125 0.047799 -0.090640 27O 1f0 0.000247 0.001656 -0.000745 0.001372 0.004291 -0.001838 27O 1f+1 -0.000367 -0.002894 0.006320 -0.000935 -0.003066 0.005301 27O 1f-1 0.000149 0.000707 -0.001922 0.000161 -0.000757 -0.001312 27O 1f+2 -0.001856 0.000989 -0.000938 0.000840 -0.004877 0.000252 27O 1f-2 -0.000343 0.000962 -0.000206 0.001838 0.000411 -0.000856 27O 1f+3 -0.000559 -0.002702 0.004860 -0.001927 -0.006523 0.008534 27O 1f-3 -0.000080 0.000454 -0.001984 -0.000854 0.007324 -0.006292 28O 1s -0.001726 0.001090 0.000069 0.000307 -0.001848 -0.002837 28O 2s -0.003793 0.004111 -0.001945 -0.000146 -0.005639 -0.011439 28O 3s -0.002578 -0.043960 0.060641 0.017639 0.034656 0.115141 28O 4s 0.096159 0.076401 -0.287852 -0.062218 -0.046999 -0.435615 28O 5s -0.363902 1.044426 -0.920613 -0.219145 -0.455106 0.087663 28O 1pz 0.004418 -0.004252 0.007538 -0.000820 -0.003981 0.032869 28O 1px 0.009982 -0.016330 0.011413 0.011234 -0.006196 0.033805 28O 1py -0.032041 0.013543 -0.008441 0.022723 0.014263 0.011728 28O 2pz -0.003552 -0.099251 0.207446 -0.003590 0.066860 0.152926 28O 2px 0.011390 0.084955 -0.205414 0.010541 -0.073415 -0.125764 28O 2py -0.014161 -0.027005 0.046177 0.033773 0.027928 0.027157 28O 3pz 0.013023 -0.571390 0.141883 0.614536 0.277611 0.467007 28O 3px -0.069293 0.568333 -0.361258 -0.271318 -0.189337 -0.305258 28O 3py 0.190913 -0.171519 -0.019088 -0.025817 -0.003256 0.285388 28O 1dz2 0.000545 -0.003659 0.001454 0.003014 -0.001058 0.000303 28O 1dxz 0.000723 0.002091 -0.001879 -0.002546 -0.001629 -0.000330 28O 1dyz -0.001037 -0.002881 0.000123 0.002873 0.001868 -0.001448 28O 1dx2y2 0.000282 0.000509 0.000755 -0.001246 -0.000521 -0.000058 28O 1dxy 0.000083 0.000884 -0.000615 -0.001992 -0.001826 0.000292 28O 2dz2 0.006056 0.090953 -0.071336 -0.066528 0.059980 -0.041087 28O 2dxz -0.049154 -0.033665 0.013642 0.034292 0.151781 0.078491 28O 2dyz -0.008052 -0.045975 0.048289 0.065826 0.040427 -0.015494 28O 2dx2y2 -0.081445 0.114764 -0.133456 0.003513 0.064208 0.021236 28O 2dxy -0.010341 -0.062570 0.024875 -0.028833 -0.110319 0.113391 28O 1f0 0.000834 0.003246 -0.003345 -0.004008 -0.004735 -0.001667 28O 1f+1 -0.000366 0.004563 -0.006143 0.001344 0.000332 -0.007014 28O 1f-1 -0.000462 0.002646 0.000670 -0.000690 0.001631 -0.000580 28O 1f+2 0.000206 -0.007203 0.006487 0.000049 0.003563 0.008797 28O 1f-2 0.000857 0.000402 -0.000377 -0.002608 -0.002887 -0.002579 28O 1f+3 0.000580 -0.003791 0.004595 0.000602 0.003055 0.002657 28O 1f-3 0.000164 0.000038 0.001094 -0.001355 -0.001299 -0.001613 29O 1s -0.002556 0.006742 0.001028 0.004727 -0.000746 0.000329 29O 2s -0.006047 0.017465 0.002165 0.011372 -0.001991 0.000527 29O 3s 0.000329 -0.037788 0.007325 -0.004057 0.005138 0.006765 29O 4s 0.170520 -0.298965 -0.075572 -0.296243 0.024597 -0.050268 29O 5s -0.531754 1.276880 0.068245 0.854873 -0.099124 0.080272 29O 1pz -0.006423 0.006449 -0.000573 0.008341 0.009626 -0.032473 29O 1px 0.019757 0.006375 0.000901 -0.036182 0.010512 -0.017363 29O 1py 0.028596 0.000506 -0.030957 -0.035638 0.006891 -0.006866 29O 2pz 0.019696 -0.029787 -0.025673 -0.022012 -0.116779 0.177727 29O 2px -0.022667 0.071171 -0.005362 0.050003 -0.052019 0.065611 29O 2py 0.004715 -0.031943 0.010367 -0.025643 0.018537 -0.012072 29O 3pz 0.009230 0.051661 -0.000035 0.058449 -0.227075 0.360391 29O 3px 0.134254 -0.343158 -0.129433 -0.429888 -0.036547 0.089521 29O 3py 0.055952 -0.285224 0.078696 0.029522 0.011846 0.002190 29O 1dz2 0.000709 -0.000875 -0.000706 -0.001839 -0.000357 0.001513 29O 1dxz 0.000175 0.001289 -0.000516 -0.001034 0.001427 -0.003309 29O 1dyz -0.000048 -0.000401 0.000471 0.001254 -0.000252 -0.000577 29O 1dx2y2 -0.001189 0.000197 0.001347 0.002729 0.000241 -0.001437 29O 1dxy -0.000148 0.001844 -0.001187 -0.001682 0.000538 -0.000217 29O 2dz2 -0.053159 0.093963 -0.000578 0.057167 0.080454 -0.069665 29O 2dxz 0.004634 0.077776 -0.041715 -0.059338 -0.086792 0.011120 29O 2dyz -0.050672 0.011955 0.055552 0.056251 0.143067 -0.236189 29O 2dx2y2 -0.090373 0.029385 0.032332 0.154061 -0.041477 0.021615 29O 2dxy 0.109136 -0.057804 -0.033811 -0.156072 0.109781 -0.123980 29O 1f0 -0.000931 -0.002928 0.001587 0.001492 -0.000571 0.001966 29O 1f+1 0.001048 0.000900 -0.001108 -0.001467 -0.000700 0.001144 29O 1f-1 0.001157 -0.003458 -0.000211 -0.001241 -0.004770 0.008303 29O 1f+2 0.000277 0.002047 -0.000465 -0.000745 0.002791 -0.004482 29O 1f-2 -0.000752 -0.001533 0.002798 0.001874 0.007286 -0.009820 29O 1f+3 -0.000140 0.001816 -0.001023 -0.000058 -0.002823 0.003745 29O 1f-3 0.000076 0.000698 -0.000420 0.001744 -0.004071 0.004629 30O 1s 0.000886 0.004180 0.004129 0.002395 0.000415 0.002126 30O 2s 0.003191 0.009914 0.011485 0.004615 -0.000737 0.009089 30O 3s -0.038873 0.006443 -0.048336 0.030583 0.050808 -0.109492 30O 4s 0.119957 -0.281299 -0.040340 -0.281522 -0.249492 0.448558 30O 5s 1.290249 0.041803 0.967614 -0.587357 -0.738419 0.649466 30O 1pz -0.001378 0.028456 -0.006881 0.036380 -0.009712 0.028207 30O 1px 0.015055 -0.021215 -0.015835 -0.013287 0.003928 0.000655 30O 1py -0.022624 0.012578 -0.008721 -0.003447 0.010041 0.034521 30O 2pz -0.130389 0.103563 -0.060542 0.168113 0.112899 -0.164886 30O 2px 0.150007 -0.133460 0.048613 -0.164879 -0.142461 0.226585 30O 2py 0.132095 -0.097142 0.072527 -0.153636 -0.154093 0.209634 30O 3pz -0.163848 -0.286277 -0.307885 -0.287260 0.230277 -0.341830 30O 3px 0.301200 0.053240 0.289601 -0.278787 -0.337145 0.234749 30O 3py 0.213256 0.196724 0.390219 0.168996 -0.129355 0.053452 30O 1dz2 -0.001298 0.000802 -0.001722 0.001166 -0.002118 0.001508 30O 1dxz 0.000942 -0.001949 0.000424 -0.001696 -0.000854 0.001541 30O 1dyz 0.002557 0.000322 0.002908 -0.002305 -0.000582 -0.002117 30O 1dx2y2 0.001706 0.002171 0.002438 -0.000276 -0.001762 -0.001599 30O 1dxy -0.001398 0.001742 -0.000554 0.001537 0.002150 -0.001849 30O 2dz2 -0.041835 -0.109032 0.052552 0.039102 -0.063591 -0.004229 30O 2dxz -0.040153 -0.081360 0.082657 0.014567 0.106373 -0.140754 30O 2dyz -0.042388 0.066493 -0.060854 0.024147 0.003796 -0.038176 30O 2dx2y2 0.086075 -0.031163 0.115390 0.039726 0.006855 -0.087787 30O 2dxy 0.051907 -0.122064 0.109365 -0.089958 0.009854 0.072838 30O 1f0 0.003663 -0.002101 0.002255 -0.002381 -0.004193 0.005825 30O 1f+1 0.001787 -0.001852 0.002915 -0.001222 0.001346 -0.000379 30O 1f-1 0.000374 -0.000970 0.000708 -0.002853 0.002585 -0.000626 30O 1f+2 -0.003243 0.000400 -0.003816 0.001819 0.001072 -0.002736 30O 1f-2 -0.005215 0.002595 -0.006480 0.003356 0.007178 -0.009903 30O 1f+3 -0.000851 0.001615 -0.000498 0.000854 -0.002371 0.004733 30O 1f-3 -0.004085 0.001831 -0.004314 0.002496 0.004447 -0.006630 31O 1s 0.000540 -0.004076 -0.004165 0.002202 -0.000448 0.002067 31O 2s 0.001961 -0.009621 -0.011583 0.004163 0.000676 0.009027 31O 3s -0.028702 -0.007384 0.048278 0.030305 -0.051382 -0.111481 31O 4s 0.088277 0.279367 0.042236 -0.268385 0.253137 0.460676 31O 5s 1.210202 -0.034123 -0.934400 -0.592332 0.767060 0.671737 31O 1pz -0.001095 0.029257 -0.006620 -0.036709 -0.008830 -0.027968 31O 1px -0.016702 -0.020894 -0.016758 0.012087 0.003764 -0.000196 31O 1py 0.023620 0.012771 -0.008035 0.003297 0.009817 -0.034274 31O 2pz 0.113011 0.104394 -0.057086 -0.165844 0.117585 0.169047 31O 2px -0.128373 -0.132634 0.044715 0.160417 -0.146141 -0.232445 31O 2py -0.112077 -0.096827 0.069204 0.149494 -0.157773 -0.213614 31O 3pz 0.180067 -0.290296 -0.310800 0.288219 0.226766 0.347941 31O 3px -0.295508 0.052655 0.278278 0.279119 -0.349300 -0.249543 31O 3py -0.243782 0.193005 0.388678 -0.163230 -0.129781 -0.060850 31O 1dz2 -0.001231 -0.000876 0.001700 0.001272 0.002039 0.001529 31O 1dxz 0.000800 0.001928 -0.000389 -0.001654 0.000900 0.001549 31O 1dyz 0.002582 -0.000256 -0.002823 -0.002357 0.000740 -0.002077 31O 1dx2y2 0.001638 -0.002113 -0.002379 -0.000304 0.001837 -0.001588 31O 1dxy -0.001284 -0.001678 0.000469 0.001424 -0.002197 -0.001851 31O 2dz2 -0.042107 0.105862 -0.053601 0.044334 0.061126 -0.003692 31O 2dxz -0.042977 0.083028 -0.083200 0.010499 -0.108683 -0.143839 31O 2dyz -0.030483 -0.065887 0.060092 0.023605 -0.003202 -0.037773 31O 2dx2y2 0.075294 0.031581 -0.112571 0.037802 -0.007964 -0.088901 31O 2dxy 0.052040 0.122609 -0.108214 -0.089505 -0.007654 0.075553 31O 1f0 -0.003186 -0.002076 0.002203 0.002265 -0.004271 -0.005955 31O 1f+1 -0.001659 -0.001910 0.002916 0.001288 0.001314 0.000400 31O 1f-1 -0.000291 -0.001028 0.000651 0.002990 0.002511 0.000622 31O 1f+2 0.003145 0.000417 -0.003731 -0.001905 0.001180 0.002816 31O 1f-2 0.004384 0.002628 -0.006445 -0.003308 0.007249 0.010132 31O 1f+3 0.000970 0.001634 -0.000408 -0.000928 -0.002292 -0.004787 31O 1f-3 0.003636 0.001855 -0.004241 -0.002442 0.004527 0.006785 32O 1s -0.001736 -0.006682 -0.001279 0.004483 0.000534 0.000458 32O 2s -0.003933 -0.017303 -0.002784 0.010701 0.001528 0.000845 32O 3s -0.003952 0.037360 -0.006763 -0.001686 -0.006163 0.006471 32O 4s 0.133567 0.296814 0.089401 -0.290086 -0.005827 -0.059432 32O 5s -0.380657 -1.268060 -0.109577 0.815684 0.054679 0.115547 32O 1pz 0.008538 0.006443 0.000309 -0.008688 0.009735 0.031865 32O 1px -0.019555 0.005893 0.000054 0.035648 0.009321 0.017512 32O 1py -0.027556 0.000584 -0.032619 0.035030 0.005542 0.007822 32O 2pz -0.019126 -0.027034 -0.027350 0.018947 -0.116737 -0.175107 32O 2px 0.013250 0.071529 -0.003111 -0.047542 -0.049305 -0.065456 32O 2py -0.001257 -0.032120 0.008683 0.023322 0.015964 0.007616 32O 3pz -0.031334 0.059805 0.003389 -0.062235 -0.223853 -0.361676 32O 3px -0.096947 -0.337902 -0.148381 0.417624 -0.053885 -0.083202 32O 3py -0.024759 -0.283543 0.077029 -0.034960 0.001953 0.001350 32O 1dz2 0.000816 0.000837 0.000747 -0.001823 0.000398 0.001459 32O 1dxz -0.000052 -0.001238 0.000563 -0.001048 -0.001422 -0.003340 32O 1dyz -0.000168 0.000407 -0.000453 0.001204 0.000214 -0.000591 32O 1dx2y2 -0.001282 -0.000183 -0.001420 0.002647 -0.000352 -0.001490 32O 1dxy -0.000010 -0.001856 0.001240 -0.001674 -0.000552 -0.000310 32O 2dz2 -0.040086 -0.092594 0.000306 0.049082 -0.075450 -0.055046 32O 2dxz 0.007962 -0.078011 0.043277 -0.058792 0.092731 0.016951 32O 2dyz -0.058374 -0.014080 -0.058807 0.055380 -0.145661 -0.235068 32O 2dx2y2 -0.087840 -0.029740 -0.038215 0.153516 0.037516 0.029153 32O 2dxy 0.096830 0.057024 0.040664 -0.150029 -0.100432 -0.125420 32O 1f0 0.001233 -0.002686 0.001635 -0.001729 -0.000120 -0.001510 32O 1f+1 -0.001278 0.001036 -0.001252 0.001583 -0.001029 -0.001356 32O 1f-1 -0.000943 -0.003475 -0.000196 0.000904 -0.004513 -0.008028 32O 1f+2 -0.000331 0.002155 -0.000515 0.000828 0.002622 0.004443 32O 1f-2 0.001143 -0.001575 0.002836 -0.001834 0.007491 0.009845 32O 1f+3 -0.000174 0.001781 -0.000913 0.000152 -0.002568 -0.003401 32O 1f-3 -0.000280 0.000713 -0.000356 -0.001739 -0.004092 -0.004762 33O 1s -0.001028 -0.001018 -0.000036 0.000484 0.001678 -0.002880 33O 2s -0.002029 -0.003872 0.002066 0.000401 0.005278 -0.011523 33O 3s -0.004602 0.042490 -0.061490 0.014195 -0.035671 0.114913 33O 4s 0.061996 -0.073012 0.288515 -0.055150 0.061144 -0.432095 33O 5s -0.310731 -1.048859 0.928546 -0.181560 0.462042 0.077158 33O 1pz -0.002893 -0.003270 0.006748 0.001689 -0.004220 -0.033122 33O 1px -0.004488 -0.015738 0.011528 -0.010274 -0.006877 -0.033666 33O 1py 0.028493 0.013818 -0.007366 -0.022026 0.014494 -0.012082 33O 2pz -0.006867 -0.098408 0.205940 0.010938 0.071275 -0.153382 33O 2px 0.005002 0.084695 -0.204325 -0.017273 -0.078000 0.125087 33O 2py 0.011466 -0.026099 0.047108 -0.031251 0.030037 -0.027600 33O 3pz 0.037226 -0.567969 0.170530 -0.603092 0.287544 -0.472030 33O 3px 0.025004 0.568530 -0.372875 0.259742 -0.201997 0.304690 33O 3py -0.147657 -0.171074 -0.015268 0.027577 -0.009024 -0.289403 33O 1dz2 0.000196 0.003634 -0.001528 0.002984 0.001028 0.000373 33O 1dxz 0.000661 -0.002141 0.001995 -0.002507 0.001808 -0.000375 33O 1dyz -0.001225 0.002852 -0.000225 0.002811 -0.001931 -0.001441 33O 1dx2y2 0.000469 -0.000482 -0.000697 -0.001219 0.000484 -0.000086 33O 1dxy 0.000073 -0.000866 0.000704 -0.001888 0.001918 0.000279 33O 2dz2 0.004741 -0.086200 0.069786 -0.064589 -0.056522 -0.038549 33O 2dxz -0.038015 0.036166 -0.016532 0.029943 -0.154220 0.080324 33O 2dyz -0.006243 0.043518 -0.048024 0.062256 -0.042448 -0.016241 33O 2dx2y2 -0.065419 -0.111846 0.131422 0.004515 -0.064492 0.023945 33O 2dxy -0.004895 0.062160 -0.023601 -0.026557 0.109029 0.117236 33O 1f0 -0.000605 0.003225 -0.003471 0.003731 -0.004833 0.001695 33O 1f+1 0.000406 0.004465 -0.006017 -0.001550 0.000443 0.007039 33O 1f-1 0.000218 0.002608 0.000654 0.000758 0.001652 0.000583 33O 1f+2 -0.000217 -0.007176 0.006542 0.000249 0.003574 -0.008857 33O 1f-2 -0.000833 0.000382 -0.000518 0.002497 -0.003040 0.002515 33O 1f+3 -0.000578 -0.003783 0.004631 -0.000406 0.003089 -0.002677 33O 1f-3 -0.000122 0.000028 0.000996 0.001270 -0.001389 0.001686 34O 1s -0.001299 0.004759 0.002132 -0.000658 0.002000 0.004029 34O 2s -0.002546 0.012368 0.003832 -0.002150 0.006659 0.013187 34O 3s -0.007608 -0.027118 0.038663 0.013838 -0.058960 -0.098980 34O 4s 0.109378 -0.195503 -0.307385 0.012262 0.161314 0.298093 34O 5s -0.221908 0.704595 -0.531057 -0.171309 0.964906 0.332020 34O 1pz -0.002071 -0.005853 0.027301 0.018927 0.006654 0.034513 34O 1px 0.004681 -0.031247 0.004470 0.036648 -0.001521 -0.007098 34O 1py -0.030728 -0.016509 0.010742 0.002898 -0.005852 -0.009240 34O 2pz 0.011312 0.016200 0.008220 -0.006217 0.015143 0.010682 34O 2px -0.011057 -0.055534 -0.247133 0.094534 0.214309 0.195753 34O 2py -0.013971 0.013045 0.054114 -0.023653 -0.087548 -0.058984 34O 3pz 0.053066 0.046305 0.052904 -0.330078 -0.142304 -0.053571 34O 3px 0.114743 0.632707 -0.179042 -0.812516 0.482915 0.417032 34O 3py -0.014182 -0.312992 -0.161711 0.534843 -0.155037 -0.408444 34O 1dz2 0.000752 -0.000381 0.000136 -0.001406 0.001139 -0.001329 34O 1dxz -0.000729 -0.001660 -0.000204 0.003780 -0.000273 0.000676 34O 1dyz -0.000148 0.001638 0.000347 -0.000868 -0.000341 -0.001010 34O 1dx2y2 -0.000066 0.000352 0.002387 -0.000303 -0.000415 -0.000233 34O 1dxy 0.000940 0.002314 0.000137 -0.004036 0.003027 -0.000495 34O 2dz2 -0.021620 -0.094947 0.077064 0.081599 -0.010682 0.045927 34O 2dxz 0.023363 -0.025570 -0.026987 0.025647 -0.096956 -0.019476 34O 2dyz 0.051529 -0.022139 -0.025944 -0.057606 0.062707 0.012485 34O 2dx2y2 -0.058941 0.006688 -0.012104 0.034436 0.069877 0.111384 34O 2dxy -0.040248 0.075219 0.004892 -0.040153 -0.048499 -0.092528 34O 1f0 -0.000579 0.001642 -0.000731 -0.001236 0.004334 0.001850 34O 1f+1 0.000465 -0.002941 0.006409 0.001023 -0.002992 -0.005412 34O 1f-1 -0.000129 0.000681 -0.001920 -0.000192 -0.000783 0.001342 34O 1f+2 0.001750 0.000992 -0.000885 -0.000962 -0.004822 -0.000271 34O 1f-2 0.000013 0.000953 -0.000179 -0.001825 0.000448 0.000955 34O 1f+3 0.000852 -0.002717 0.004963 0.001943 -0.006533 -0.008720 34O 1f-3 -0.000108 0.000467 -0.002068 0.001002 0.007262 0.006480 35O 1s 0.000198 -0.001440 0.000489 0.001131 -0.000921 -0.002364 35O 2s 0.000664 -0.006123 0.001627 0.002062 -0.002100 -0.009092 35O 3s -0.010568 0.074425 -0.022849 0.023295 -0.005740 0.109188 35O 4s 0.018057 -0.292917 0.063147 -0.169664 0.080383 -0.426964 35O 5s 0.383030 -0.803528 0.766660 -0.831925 -0.093723 -1.418545 35O 1pz -0.012267 0.007485 -0.018048 0.009387 0.000926 0.003917 35O 1px -0.003553 0.005611 -0.011180 -0.012717 0.002153 -0.002082 35O 1py -0.028176 -0.022868 0.007872 0.014508 -0.018508 -0.001130 35O 2pz -0.005300 -0.057662 0.042797 -0.030011 0.005631 -0.070072 35O 2px 0.057360 -0.275335 0.101139 -0.169148 0.030793 -0.393569 35O 2py 0.016529 -0.132077 0.048288 -0.089655 0.023345 -0.194141 35O 3pz 0.064677 0.185943 0.089600 0.122881 -0.050900 -0.067202 35O 3px 0.166115 -0.050191 0.407316 -0.283941 0.070124 -0.575168 35O 3py 0.211794 0.100512 0.257332 -0.242791 0.149497 -0.139370 35O 1dz2 -0.000798 -0.000825 -0.000647 -0.001380 0.001499 -0.001867 35O 1dxz -0.001189 0.001192 -0.002530 0.001200 0.001051 0.000630 35O 1dyz -0.000668 -0.001454 -0.000372 0.000442 0.000278 -0.001271 35O 1dx2y2 0.000393 0.001193 -0.000721 -0.001184 0.000429 0.001808 35O 1dxy -0.001209 0.001170 -0.001694 0.003798 -0.000746 0.000554 35O 2dz2 0.055171 0.065183 -0.068016 -0.039925 0.036797 0.131835 35O 2dxz -0.017582 0.024297 0.004833 -0.004373 -0.014716 -0.046703 35O 2dyz -0.053008 -0.062354 -0.018180 0.034562 -0.063296 -0.015001 35O 2dx2y2 0.066197 -0.017956 -0.018862 -0.052633 -0.046371 -0.109073 35O 2dxy 0.050293 0.001353 0.009653 -0.063680 0.080289 -0.088290 35O 1f0 -0.000594 0.001024 -0.000430 -0.001616 0.003172 0.003009 35O 1f+1 -0.002429 0.005533 -0.003954 0.001533 0.001132 0.010465 35O 1f-1 -0.001027 0.002778 -0.002459 0.001421 -0.001328 0.005450 35O 1f+2 0.000228 -0.001211 0.002045 -0.001061 0.000466 -0.001776 35O 1f-2 -0.000888 -0.002197 0.000181 0.000682 -0.001170 -0.001180 35O 1f+3 -0.002660 0.002288 -0.002282 0.001577 0.002307 0.005852 35O 1f-3 -0.002535 0.007130 -0.003841 0.004817 -0.005289 0.011460 330 331 332 333 334 335 1.56178 1.56908 1.57218 1.57945 1.58365 1.59586 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s -0.001280 -0.000699 0.000161 0.000320 -0.000249 -0.000985 0Rh 2s 0.005427 0.002367 -0.000727 -0.001036 0.001704 0.004062 0Rh 3s -0.004176 -0.002646 0.000498 0.001240 -0.000413 -0.003286 0Rh 4s -0.025909 -0.011172 0.003501 0.004936 -0.008249 -0.019388 0Rh 5s 0.025670 0.006869 -0.004146 -0.003334 0.012536 0.018248 0Rh 6s 0.061862 0.040173 -0.004662 -0.016089 -0.000357 0.047541 0Rh 7s -0.733534 0.074273 0.091074 0.199475 0.351181 0.095189 0Rh 8s 0.231068 0.327635 -0.074998 -0.057085 0.633361 0.359334 0Rh 1pz -0.000809 0.001973 -0.003044 0.004331 0.006560 -0.002135 0Rh 1px 0.001340 -0.006140 0.000013 0.001128 -0.009477 -0.010166 0Rh 1py 0.005797 -0.003652 -0.003024 -0.003453 -0.001112 -0.001119 0Rh 2pz 0.003030 -0.006583 0.011065 -0.014706 -0.022425 0.007772 0Rh 2px -0.005117 0.020360 0.000205 -0.003539 0.031659 0.034144 0Rh 2py -0.020326 0.012533 0.010394 0.012186 0.003731 0.003875 0Rh 3pz -0.006479 -0.001196 -0.016065 0.002656 0.007081 -0.012458 0Rh 3px 0.013210 0.006529 -0.004954 -0.005606 0.005467 0.001977 0Rh 3py 0.016339 -0.005329 -0.004265 -0.011004 0.000653 -0.001851 0Rh 4pz 0.008473 0.042801 -0.006607 0.074800 0.102512 0.006604 0Rh 4px -0.025776 -0.144968 0.016770 0.043529 -0.208500 -0.208040 0Rh 4py 0.057064 -0.049789 -0.044607 -0.031728 -0.027222 -0.018204 0Rh 5pz -0.029111 -0.065014 -0.005221 -0.105168 -0.145313 -0.044716 0Rh 5px 0.077949 0.232311 -0.029166 -0.073369 0.342492 0.325742 0Rh 5py -0.054256 0.060105 0.059998 0.039690 0.057225 0.039296 0Rh 6pz 0.275899 0.131246 1.139224 -0.206383 -0.183933 1.152210 0Rh 6px -0.303879 -0.750550 0.294094 -0.159596 -1.434573 -0.747001 0Rh 6py -1.443159 0.207412 0.341722 0.746280 -0.519970 -0.411064 0Rh 1dz2 0.005107 0.006459 0.011160 -0.004123 0.003732 0.003470 0Rh 1dxz 0.003253 0.005590 -0.002365 -0.000840 0.001403 0.009641 0Rh 1dyz 0.005062 0.002420 0.008977 -0.002776 -0.000858 0.008709 0Rh 1dx2y2 -0.006101 -0.009586 0.003316 0.000011 -0.006518 -0.005635 0Rh 1dxy 0.001160 -0.011517 0.000795 -0.002587 -0.013855 -0.013092 0Rh 2dz2 -0.000686 -0.002377 -0.001705 0.000016 -0.002007 -0.001848 0Rh 2dxz -0.000759 -0.002442 0.000291 0.000781 -0.002660 -0.002475 0Rh 2dyz -0.000092 -0.001012 -0.000702 0.000261 -0.000811 -0.000311 0Rh 2dx2y2 0.001378 0.003660 -0.000341 0.000403 0.003710 0.003817 0Rh 2dxy -0.000412 0.000941 -0.000392 0.000049 0.001504 0.001980 0Rh 3dz2 -0.008954 -0.004650 -0.018642 0.009567 0.000109 -0.000033 0Rh 3dxz -0.004358 -0.002347 0.004177 -0.001330 0.008398 -0.011730 0Rh 3dyz -0.011390 -0.001226 -0.017830 0.005376 0.005546 -0.019065 0Rh 3dx2y2 0.008276 0.006218 -0.006332 -0.001735 -0.001137 -0.003609 0Rh 3dxy -0.000813 0.022862 -0.000172 0.005774 0.025892 0.022132 0Rh 4dz2 -0.013899 -0.041928 -0.034840 0.004223 -0.034263 -0.031096 0Rh 4dxz -0.012700 -0.042494 0.008525 0.010587 -0.041560 -0.047561 0Rh 4dyz -0.005544 -0.016540 -0.018757 0.005663 -0.010329 -0.013765 0Rh 4dx2y2 0.024815 0.066727 -0.007364 0.004919 0.064315 0.063657 0Rh 4dxy -0.009481 0.023966 -0.005650 0.004530 0.035999 0.041191 0Rh 5dz2 0.046937 0.181497 0.147991 -0.027057 0.135930 0.136687 0Rh 5dxz 0.035880 0.181844 -0.070961 -0.039249 0.164078 0.207602 0Rh 5dyz 0.010529 0.054818 0.078637 -0.019632 0.008807 0.091371 0Rh 5dx2y2 -0.092891 -0.311136 0.024334 0.002899 -0.282069 -0.261004 0Rh 5dxy 0.081984 -0.093248 0.014582 -0.039093 -0.165760 -0.166302 0Rh 1f0 -0.007365 -0.003384 -0.022908 0.018145 0.018872 -0.021459 0Rh 1f+1 -0.011254 0.033677 -0.022663 0.026104 0.066302 -0.036407 0Rh 1f-1 -0.008501 -0.004801 0.047391 0.027509 -0.006181 0.035940 0Rh 1f+2 -0.025566 0.013082 -0.024486 0.007744 -0.001524 0.044853 0Rh 1f-2 -0.014714 0.006612 -0.001718 0.012346 0.027578 0.031491 0Rh 1f+3 -0.018157 0.027420 0.017187 0.022863 0.010924 -0.000040 0Rh 1f-3 0.020266 0.003108 -0.018518 -0.012989 0.030226 0.033255 1Rh 1s -0.001279 0.000694 0.000132 0.000335 0.000221 0.001118 1Rh 2s 0.005424 -0.002342 -0.000662 -0.001141 -0.001608 -0.004500 1Rh 3s -0.004174 0.002632 0.000370 0.001265 0.000310 0.003796 1Rh 4s -0.025893 0.011048 0.003200 0.005443 0.007789 0.021468 1Rh 5s 0.025653 -0.006699 -0.004235 -0.004107 -0.012180 -0.019605 1Rh 6s 0.061903 -0.040158 -0.002555 -0.015993 0.001746 -0.055027 1Rh 7s -0.740861 -0.075034 0.085163 0.172845 -0.369179 -0.020550 1Rh 8s 0.221195 -0.328629 -0.071685 -0.109831 -0.624641 -0.383836 1Rh 1pz 0.000843 0.002115 0.003040 -0.003845 0.006239 -0.003083 1Rh 1px -0.001521 -0.006238 -0.000061 -0.001856 -0.009609 -0.010077 1Rh 1py -0.005882 -0.003352 0.003235 0.003203 -0.001145 -0.001165 1Rh 2pz -0.003143 -0.007127 -0.011048 0.013041 -0.021333 0.010988 1Rh 2px 0.005727 0.020677 -0.000025 0.005971 0.032136 0.033685 1Rh 2py 0.020618 0.011538 -0.011122 -0.011332 0.003885 0.004006 1Rh 3pz 0.006442 0.000103 0.015991 -0.002057 0.006894 -0.012967 1Rh 3px -0.013174 0.006734 0.004538 0.006015 0.004771 0.005345 1Rh 3py -0.016424 -0.005585 0.004676 0.010659 -0.000179 -0.001308 1Rh 4pz -0.007767 0.041308 0.006973 -0.067569 0.096716 -0.010126 1Rh 4px 0.022064 -0.147433 -0.016190 -0.059591 -0.208509 -0.218804 1Rh 4py -0.058417 -0.043138 0.046881 0.028281 -0.025012 -0.021192 1Rh 5pz 0.028588 -0.062747 0.003547 0.095450 -0.137495 -0.021106 1Rh 5px -0.072110 0.235405 0.028174 0.100095 0.341019 0.346998 1Rh 5py 0.056307 0.050645 -0.061344 -0.035713 0.053301 0.045585 1Rh 6pz -0.281038 0.103615 -1.116888 0.188103 -0.104363 1.207065 1Rh 6px 0.286603 -0.753113 -0.293141 0.043622 -1.402028 -0.783958 1Rh 6py 1.438626 0.197029 -0.385487 -0.731930 -0.492634 -0.443481 1Rh 1dz2 0.004870 -0.005083 0.011659 -0.004533 -0.003562 -0.003722 1Rh 1dxz 0.003318 -0.005761 -0.002108 -0.001074 -0.001334 -0.010724 1Rh 1dyz 0.004898 -0.001724 0.009186 -0.002663 0.000445 -0.009512 1Rh 1dx2y2 -0.005917 0.009759 0.002873 0.000558 0.006262 0.006512 1Rh 1dxy 0.001390 0.011648 0.000595 -0.001889 0.013993 0.013094 1Rh 2dz2 -0.000646 0.002192 -0.001842 0.000206 0.001993 0.001763 1Rh 2dxz -0.000713 0.002409 0.000215 0.000981 0.002619 0.002701 1Rh 2dyz -0.000085 0.000986 -0.000784 0.000349 0.000843 0.000241 1Rh 2dx2y2 0.001298 -0.003680 -0.000209 0.000132 -0.003689 -0.003987 1Rh 2dxy -0.000443 -0.001006 -0.000409 -0.000001 -0.001514 -0.002046 1Rh 3dz2 -0.008580 0.002237 -0.019210 0.009691 -0.000452 0.000990 1Rh 3dxz -0.004715 0.002878 0.003910 -0.001661 -0.008381 0.013317 1Rh 3dyz -0.011036 -0.000273 -0.017960 0.004726 -0.004719 0.021258 1Rh 3dx2y2 0.008200 -0.006545 -0.005880 -0.001817 0.001644 0.002277 1Rh 3dxy -0.001213 -0.022888 0.000371 0.004357 -0.026172 -0.021857 1Rh 4dz2 -0.013064 0.038089 -0.037373 0.007488 0.034009 0.030146 1Rh 4dxz -0.011993 0.042334 0.007125 0.013789 0.040835 0.051348 1Rh 4dyz -0.005278 0.015445 -0.020096 0.006757 0.011173 0.013389 1Rh 4dx2y2 0.023384 -0.067115 -0.004789 0.000103 -0.063816 -0.066628 1Rh 4dxy -0.010125 -0.024988 -0.005764 0.003136 -0.036312 -0.042003 1Rh 5dz2 0.043213 -0.166311 0.159726 -0.040067 -0.136279 -0.135030 1Rh 5dxz 0.032067 -0.182719 -0.064474 -0.051425 -0.158845 -0.219886 1Rh 5dyz 0.008821 -0.048933 0.083406 -0.020861 -0.012121 -0.090839 1Rh 5dx2y2 -0.086392 0.312172 0.010404 0.024733 0.280100 0.272382 1Rh 5dxy 0.084192 0.097402 0.015493 -0.033065 0.167457 0.167620 1Rh 1f0 0.006894 0.000195 0.023023 -0.017364 0.019672 -0.017543 1Rh 1f+1 0.011535 0.035510 0.020949 -0.020767 0.065287 -0.043039 1Rh 1f-1 0.009117 -0.007714 -0.046915 -0.028800 -0.004077 0.033636 1Rh 1f+2 0.025438 0.017332 0.024280 -0.007900 0.001370 0.047315 1Rh 1f-2 0.014661 0.008183 0.003535 -0.012369 0.029029 0.028036 1Rh 1f+3 0.018735 0.025476 -0.019300 -0.020336 0.011075 -0.006444 1Rh 1f-3 -0.019417 0.004865 0.019040 0.013364 0.030455 0.031728 2C 1s -0.010313 -0.007486 0.007359 0.002990 0.012025 -0.007340 2C 2s -0.031363 -0.022338 0.021580 0.008427 0.035661 -0.020248 2C 3s 0.315774 0.248415 -0.266312 -0.077826 -0.418790 0.261066 2C 4s -0.702849 -0.632588 0.719347 0.128444 1.041273 -0.676326 2C 5s 1.033083 1.563762 -1.711731 -0.829079 -2.643811 2.763720 2C 1pz -0.141114 -0.224615 -0.053189 0.232720 0.239221 -0.081824 2C 1px -0.076378 0.004050 0.119386 -0.262801 -0.221118 0.118297 2C 1py 0.156689 0.228190 0.251834 -0.242111 -0.047333 -0.232796 2C 2pz 0.537810 0.758166 0.151439 -0.852623 -0.875997 0.349817 2C 2px 0.306952 -0.007416 -0.500779 0.846725 0.720162 -0.366437 2C 2py -0.410974 -0.690147 -0.865448 0.733059 0.086469 0.832255 2C 3pz -0.209657 -0.164853 -0.373894 0.229965 -0.138093 0.560082 2C 3px -0.162655 0.002851 0.158940 -0.450534 -0.353864 0.270214 2C 3py 0.389468 0.621200 0.183387 -0.498426 -0.492861 0.033394 2C 1dz2 -0.002004 -0.005143 -0.008694 0.014590 0.007303 0.008487 2C 1dxz -0.013147 -0.008608 0.006796 -0.002745 -0.007227 0.009302 2C 1dyz -0.002518 0.000701 -0.004112 0.002989 0.001262 -0.002384 2C 1dx2y2 -0.000146 -0.011491 -0.010344 0.023239 0.015238 -0.001971 2C 1dxy 0.007927 0.009902 0.014367 -0.014534 -0.007624 -0.007803 2C 2dz2 -0.084660 -0.067920 -0.130968 0.050595 -0.089319 0.170929 2C 2dxz -0.117838 -0.088628 -0.177163 -0.124971 -0.225105 0.347556 2C 2dyz 0.173731 0.077894 -0.197630 0.120414 -0.036114 0.113811 2C 2dx2y2 -0.178249 -0.256074 -0.142248 0.369737 0.306075 -0.110795 2C 2dxy 0.274930 0.317053 0.139175 -0.325408 -0.180912 -0.061264 2C 1f0 -0.013713 -0.031399 -0.013053 0.053780 0.045820 -0.012209 2C 1f+1 0.013278 0.004599 0.007806 0.001815 0.009553 -0.017971 2C 1f-1 -0.006324 -0.002902 0.024177 -0.008641 0.020812 -0.025035 2C 1f+2 0.022367 0.017923 -0.023467 -0.011914 -0.045622 0.047090 2C 1f-2 -0.020030 -0.020788 0.017347 -0.002837 0.020113 -0.017877 2C 1f+3 -0.002216 -0.000309 -0.030301 0.004016 -0.022325 0.032077 2C 1f-3 0.010316 0.007020 -0.003686 0.009888 0.014619 -0.012528 3C 1s -0.015291 0.009990 -0.002169 0.003434 -0.000473 -0.010724 3C 2s -0.046442 0.030125 -0.006166 0.009378 -0.001548 -0.031629 3C 3s 0.515792 -0.366485 0.095381 -0.110996 -0.001992 0.356841 3C 4s -1.291401 1.015089 -0.290885 0.244597 0.010550 -0.875549 3C 5s 1.307536 -1.804396 0.726086 -1.082768 0.098078 2.476834 3C 1pz 0.111966 -0.010177 -0.124402 0.073869 -0.024649 -0.112905 3C 1px -0.088451 0.383610 -0.457371 -0.248259 -0.139453 -0.061293 3C 1py 0.186459 0.017910 -0.168942 -0.122996 -0.136215 0.022148 3C 2pz -0.267822 0.029695 0.399646 -0.329607 0.065554 0.456906 3C 2px 0.217679 -1.216636 1.466050 0.880209 0.519645 0.197207 3C 2py -0.686757 -0.054162 0.527006 0.522541 0.413417 -0.153337 3C 3pz 0.413860 -0.221462 -0.084379 -0.059744 -0.139622 0.164506 3C 3px -0.166322 0.548628 -0.693120 -0.452494 -0.249469 0.061462 3C 3py 0.264026 0.331934 -0.422049 0.013725 -0.181164 -0.434369 3C 1dz2 -0.005071 -0.001657 0.004638 -0.003445 0.005769 -0.004300 3C 1dxz 0.000516 0.018039 -0.025744 -0.021221 -0.011366 -0.005125 3C 1dyz -0.004868 0.006897 -0.004326 -0.005972 -0.000710 0.008407 3C 1dx2y2 0.010198 0.002283 -0.011462 -0.011052 -0.005568 -0.007470 3C 1dxy 0.002679 0.000478 -0.001541 0.009852 0.005273 -0.000651 3C 2dz2 -0.016207 -0.049095 0.112648 0.059618 0.028333 0.017861 3C 2dxz 0.077978 0.397964 -0.547329 -0.305577 -0.188475 0.026571 3C 2dyz -0.408085 0.278442 -0.117778 -0.046230 0.076691 -0.049687 3C 2dx2y2 0.007230 0.161930 -0.295814 0.112041 -0.034610 -0.162145 3C 2dxy 0.023561 0.017919 -0.079018 0.031770 -0.039558 -0.118474 3C 1f0 0.011803 0.001465 -0.016569 0.001672 -0.010787 -0.007634 3C 1f+1 -0.002207 -0.009764 0.012137 0.016817 0.011454 -0.012773 3C 1f-1 -0.018022 0.008450 0.012106 0.019274 0.004210 0.004925 3C 1f+2 0.041708 -0.038342 0.018236 -0.013357 -0.007678 0.035506 3C 1f-2 0.036423 -0.020262 0.007703 -0.013979 -0.009641 0.037177 3C 1f+3 -0.004126 0.030313 -0.038851 -0.002293 -0.007382 -0.017039 3C 1f-3 -0.017973 0.030962 -0.034480 -0.027739 -0.007655 -0.003762 4C 1s 0.002881 0.006038 -0.009814 0.001847 -0.012214 0.015870 4C 2s 0.010034 0.019792 -0.031584 0.004884 -0.039871 0.051454 4C 3s -0.156670 -0.231360 0.427633 -0.015026 0.621114 -0.593222 4C 4s 0.580689 0.550936 -1.170177 -0.045950 -2.022095 1.420209 4C 5s 0.006793 -0.498841 0.467810 0.554190 0.981417 -1.177331 4C 1pz 0.119070 0.071639 0.056510 -0.060375 -0.071961 -0.070771 4C 1px 0.060676 0.048379 0.011894 -0.004197 -0.040877 -0.028438 4C 1py -0.147729 -0.153522 -0.049379 0.030739 0.017371 0.178337 4C 2pz -0.010259 0.055603 -0.283087 0.097177 -0.307170 0.465066 4C 2px 0.213148 -0.075864 -0.606017 -0.113694 -0.110939 0.277815 4C 2py 0.333312 0.318507 -0.251866 -0.205196 -0.399802 0.025880 4C 3pz 0.424890 0.724507 -0.517787 -0.367551 -1.012427 1.287172 4C 3px -0.010700 0.025887 0.142549 -0.082713 -0.492749 0.140592 4C 3py -0.325715 0.066194 -0.313117 -0.226102 -0.694615 0.970145 4C 1dz2 -0.018278 0.000339 -0.000692 -0.018462 -0.009109 0.008673 4C 1dxz -0.007575 0.001159 0.007585 -0.007833 -0.000389 -0.004831 4C 1dyz 0.005114 0.002479 -0.001815 0.008451 -0.002770 0.007172 4C 1dx2y2 0.000320 0.011282 0.003110 -0.023207 -0.015857 0.000856 4C 1dxy -0.006262 -0.007386 -0.009446 0.015094 0.002849 0.004915 4C 2dz2 -0.277570 -0.061118 0.375742 0.000073 0.156287 -0.272131 4C 2dxz 0.135023 -0.024902 -0.240462 0.018518 0.248479 -0.121853 4C 2dyz -0.031840 -0.035201 0.070573 0.056797 0.106446 -0.118146 4C 2dx2y2 0.145001 0.110669 -0.230950 -0.152406 -0.375649 0.325080 4C 2dxy 0.108687 0.039681 -0.411649 0.025902 -0.101531 0.175690 4C 1f0 0.009418 -0.007839 -0.000382 0.017384 0.020229 -0.009575 4C 1f+1 -0.004963 -0.003228 0.025740 0.002437 0.032543 -0.020912 4C 1f-1 -0.006632 -0.003397 0.003678 0.004110 -0.002931 0.015453 4C 1f+2 0.002723 0.011197 -0.001475 0.003884 -0.016427 0.006474 4C 1f-2 0.000271 0.000464 -0.004915 -0.015447 -0.010948 0.015080 4C 1f+3 0.003476 0.006791 0.012484 0.000355 0.002027 0.001876 4C 1f-3 -0.016092 -0.004846 0.029730 -0.002416 0.029948 -0.019437 5C 1s 0.011627 -0.014851 0.006582 -0.003772 -0.007727 0.010162 5C 2s 0.037524 -0.047172 0.020719 -0.012825 -0.023909 0.033657 5C 3s -0.498575 0.554658 -0.270236 0.206380 0.210025 -0.538837 5C 4s 1.467731 -1.479364 0.742811 -0.636634 -0.313894 1.896853 5C 5s -0.289575 0.634245 -0.083429 0.534691 -0.115235 -0.704480 5C 1pz -0.163556 -0.020791 0.072788 -0.021132 0.141616 -0.043158 5C 1px -0.010786 -0.004272 0.039854 0.021008 0.036979 0.017827 5C 1py -0.102214 -0.048419 0.078160 0.012655 0.098294 -0.092306 5C 2pz 0.613107 -0.181689 0.082982 -0.287063 -0.327946 0.336505 5C 2px -0.359904 0.056043 -0.216751 0.171116 0.211523 -0.148052 5C 2py -0.415837 0.359215 -0.360534 0.236936 -0.014543 -0.335406 5C 3pz -0.641625 -0.224856 0.230464 -0.188332 0.168064 0.627653 5C 3px 0.155059 -0.357560 0.169705 -0.462086 -0.219479 0.266194 5C 3py 0.049431 0.360996 -0.169383 0.360400 0.143097 -1.202916 5C 1dz2 0.009942 0.006918 -0.008654 0.013502 -0.008785 0.007420 5C 1dxz -0.000183 -0.007521 0.017119 0.021210 -0.001781 0.002782 5C 1dyz -0.007278 0.003943 -0.002948 -0.007586 0.008491 -0.013783 5C 1dx2y2 0.016633 -0.009219 0.007395 0.013718 0.002165 0.019753 5C 1dxy 0.000120 -0.000447 0.001369 0.002672 0.005236 0.007908 5C 2dz2 0.102649 0.032458 -0.065055 -0.001887 -0.079490 -0.034261 5C 2dxz -0.320658 0.102214 -0.035184 0.329388 0.151277 -0.220750 5C 2dyz -0.123572 0.011178 -0.033075 0.111198 0.106200 -0.070647 5C 2dx2y2 0.042830 -0.109520 0.115284 0.046864 0.055118 0.288795 5C 2dxy 0.402333 -0.117630 0.142192 -0.406069 -0.244585 0.227997 5C 1f0 -0.023353 0.006529 -0.006055 0.010108 0.015023 -0.023656 5C 1f+1 -0.012790 0.012417 -0.006734 -0.003794 0.006758 -0.019917 5C 1f-1 0.004435 0.002240 -0.005990 0.005071 -0.001819 0.007186 5C 1f+2 0.010912 0.005005 -0.010409 -0.003430 -0.002216 0.006972 5C 1f-2 0.025598 -0.017777 0.020498 -0.006559 -0.001597 0.024208 5C 1f+3 -0.011232 0.020817 -0.011227 -0.004776 -0.009399 -0.009347 5C 1f-3 0.013082 -0.008739 0.002265 -0.029040 -0.000592 0.021562 6C 1s 0.011850 0.015228 0.005212 -0.002319 0.007422 -0.010999 6C 2s 0.038253 0.048382 0.016307 -0.008194 0.023020 -0.036441 6C 3s -0.507770 -0.573313 -0.211701 0.149960 -0.203187 0.573727 6C 4s 1.494923 1.535819 0.566398 -0.479613 0.305495 -2.008612 6C 5s -0.304870 -0.640431 0.011383 0.478716 0.091666 0.752998 6C 1pz 0.163053 -0.031879 -0.072402 0.026016 0.138674 -0.042409 6C 1px 0.010515 -0.008257 -0.037640 -0.020489 0.037198 0.019395 6C 1py 0.101611 -0.057523 -0.074935 -0.010121 0.099603 -0.092520 6C 2pz -0.614873 -0.184793 -0.059611 0.255338 -0.327456 0.368546 6C 2px 0.357114 0.068031 0.216302 -0.156257 0.197876 -0.162886 6C 2py 0.420784 0.393426 0.320918 -0.206089 -0.017895 -0.386385 6C 3pz 0.628784 -0.264228 -0.192868 0.158183 0.138416 0.604294 6C 3px -0.169436 -0.367248 -0.141558 0.419285 -0.219241 0.277244 6C 3py -0.034906 0.388030 0.102524 -0.291520 0.177302 -1.167506 6C 1dz2 0.009967 -0.008183 -0.007669 0.013581 0.007930 -0.007781 6C 1dxz -0.000361 0.007956 0.016733 0.021421 0.000089 -0.002679 6C 1dyz -0.007340 -0.003664 -0.002805 -0.008420 -0.007564 0.014090 6C 1dx2y2 0.016827 0.009141 0.006147 0.014598 -0.003182 -0.021363 6C 1dxy 0.000159 0.000203 0.001189 0.002592 -0.005608 -0.008932 6C 2dz2 0.102056 -0.040609 -0.056215 -0.002562 0.074247 0.030886 6C 2dxz -0.323437 -0.112013 -0.026247 0.311288 -0.159699 0.236052 6C 2dyz -0.124024 -0.011818 -0.035953 0.105009 -0.100731 0.069997 6C 2dx2y2 0.046011 0.123680 0.095086 0.059368 -0.048320 -0.297273 6C 2dxy 0.404065 0.127307 0.135094 -0.383609 0.240493 -0.256214 6C 1f0 0.023412 0.007063 0.005597 -0.008684 0.014940 -0.025246 6C 1f+1 0.013061 0.012487 0.005300 0.005263 0.005990 -0.020952 6C 1f-1 -0.004523 0.002966 0.005741 -0.005216 -0.001531 0.007557 6C 1f+2 -0.010916 0.005925 0.009948 0.003394 -0.002156 0.006875 6C 1f-2 -0.025698 -0.019217 -0.018153 0.004747 -0.001002 0.025146 6C 1f+3 0.011711 0.021680 0.008392 0.005977 -0.009511 -0.009722 6C 1f-3 -0.013386 -0.009557 -0.000926 0.027647 -0.001593 0.022688 7C 1s 0.002447 -0.006537 -0.009426 0.002364 0.012668 -0.015347 7C 2s 0.008653 -0.021370 -0.030294 0.006564 0.041363 -0.050115 7C 3s -0.140330 0.252875 0.410300 -0.042489 -0.640017 0.594263 7C 4s 0.540730 -0.609101 -1.122019 0.043525 2.075090 -1.458382 7C 5s 0.042343 0.488153 0.443239 0.510589 -1.024078 1.314076 7C 1pz -0.119174 0.063227 -0.068196 0.065943 -0.073935 -0.058684 7C 1px -0.059893 0.047429 -0.020494 0.008751 -0.042575 -0.031090 7C 1py 0.145283 -0.144800 0.069795 -0.045737 0.020033 0.192626 7C 2pz 0.016648 0.083428 0.288989 -0.125241 -0.310098 0.468625 7C 2px -0.207969 -0.049412 0.613942 0.091370 -0.138493 0.287045 7C 2py -0.323222 0.316738 0.211320 0.208679 -0.429501 0.015367 7C 3pz -0.415662 0.742391 0.455395 0.342288 -1.029179 1.414946 7C 3px 0.006814 0.028573 -0.150749 0.057164 -0.471174 0.198893 7C 3py 0.326907 0.090857 0.322295 0.176455 -0.699356 1.087617 7C 1dz2 -0.018262 0.000563 -0.000410 -0.017947 0.010373 -0.007916 7C 1dxz -0.007476 -0.000286 0.008230 -0.008264 0.000970 0.006881 7C 1dyz 0.005066 -0.003015 -0.001692 0.008523 0.002133 -0.007091 7C 1dx2y2 0.000196 -0.009736 0.004599 -0.023272 0.017475 -0.000893 7C 1dxy -0.006383 0.005653 -0.010245 0.015267 -0.003179 -0.004255 7C 2dz2 -0.273071 0.086667 0.368848 -0.010200 -0.170614 0.279841 7C 2dxz 0.131646 0.011097 -0.238007 0.002520 -0.230879 0.171602 7C 2dyz -0.030251 0.035674 0.067354 0.052960 -0.115947 0.125625 7C 2dx2y2 0.141778 -0.121866 -0.218755 -0.134207 0.388604 -0.356514 7C 2dxy 0.103938 -0.064105 -0.403895 0.029621 0.123900 -0.160282 7C 1f0 -0.009772 -0.006401 0.000979 -0.016411 0.021248 -0.010934 7C 1f+1 0.004389 -0.004942 -0.025113 -0.000848 0.033880 -0.020085 7C 1f-1 0.006312 -0.003459 -0.003553 -0.004587 -0.002915 0.015009 7C 1f+2 -0.002152 0.011062 0.000821 -0.004457 -0.015915 0.007488 7C 1f-2 -0.000347 -0.000195 0.005103 0.014176 -0.011453 0.017117 7C 1f+3 -0.003705 0.006101 -0.012421 -0.000179 0.002797 0.003272 7C 1f-3 0.015610 -0.006740 -0.029130 0.003967 0.030828 -0.020828 8C 1s -0.015340 -0.010067 -0.000860 0.002542 0.000451 0.011304 8C 2s -0.046555 -0.030294 -0.002236 0.006720 0.001538 0.033211 8C 3s 0.517705 0.370032 0.049357 -0.078681 0.000616 -0.374452 8C 4s -1.297075 -1.024471 -0.166823 0.157542 -0.000281 0.919487 8C 5s 1.339659 1.875101 0.470854 -0.892407 -0.051252 -2.540645 8C 1pz -0.113727 0.010919 0.131528 -0.069710 -0.022875 -0.113878 8C 1px 0.087811 0.409395 0.412823 0.259201 -0.162397 -0.072441 8C 1py -0.188491 0.033986 0.168170 0.117260 -0.143119 0.029045 8C 2pz 0.272132 -0.039521 -0.420081 0.312758 0.055927 0.469831 8C 2px -0.215872 -1.299582 -1.320186 -0.913244 0.591137 0.234651 8C 2py 0.694293 -0.099293 -0.528869 -0.502227 0.444199 -0.188226 8C 3pz -0.418692 -0.197155 0.124398 0.038646 -0.140962 0.167610 8C 3px 0.164586 0.586405 0.634634 0.460335 -0.289745 0.043548 8C 3py -0.257630 0.374411 0.382246 0.011772 -0.182601 -0.434475 8C 1dz2 -0.005239 0.002096 0.003976 -0.003853 -0.005302 0.004632 8C 1dxz 0.000707 -0.019440 -0.023718 -0.021646 0.012949 0.006126 8C 1dyz -0.004787 -0.006991 -0.003543 -0.006076 0.001111 -0.008685 8C 1dx2y2 0.010234 -0.002970 -0.011082 -0.011058 0.006137 0.007209 8C 1dxy 0.002825 -0.000776 -0.001866 0.009695 -0.005351 0.000453 8C 2dz2 -0.017805 0.050738 0.102402 0.056418 -0.032553 -0.015867 8C 2dxz 0.083754 -0.430120 -0.507860 -0.312891 0.219016 -0.020635 8C 2dyz -0.409933 -0.277295 -0.088205 -0.064357 -0.063607 0.074565 8C 2dx2y2 0.007725 -0.189353 -0.278060 0.102267 0.035111 0.174364 8C 2dxy 0.026187 -0.028978 -0.076005 0.029836 0.035623 0.126809 8C 1f0 -0.011885 0.003252 0.015930 -0.002116 -0.010493 -0.007516 8C 1f+1 0.001853 -0.010627 -0.011058 -0.016063 0.012425 -0.012125 8C 1f-1 0.018267 0.007465 -0.013353 -0.018507 0.005283 0.004460 8C 1f+2 -0.041808 -0.039465 -0.014037 0.009759 -0.007293 0.038134 8C 1f-2 -0.037382 -0.021447 -0.005280 0.011412 -0.009939 0.039314 8C 1f+3 0.003709 0.032473 0.035118 0.003618 -0.008517 -0.018132 8C 1f-3 0.017436 0.032266 0.031397 0.028899 -0.010637 -0.005098 9C 1s -0.009584 0.007650 0.006858 0.002729 -0.012328 0.008722 9C 2s -0.029111 0.022808 0.020092 0.007690 -0.036482 0.024359 9C 3s 0.290653 -0.255595 -0.249588 -0.067775 0.428703 -0.300322 9C 4s -0.637744 0.654110 0.677168 0.104418 -1.068175 0.746357 9C 5s 0.943463 -1.625598 -1.607670 -0.741130 2.715527 -3.040860 9C 1pz 0.138741 -0.200830 0.076658 -0.231830 0.252849 -0.093604 9C 1px 0.075863 -0.028316 -0.113801 0.231569 -0.217281 0.179596 9C 1py -0.160241 0.190974 -0.280054 0.260854 -0.058416 -0.240639 9C 2pz -0.530554 0.681698 -0.228908 0.844441 -0.923737 0.418105 9C 2px -0.304121 0.103535 0.479838 -0.745058 0.700900 -0.577014 9C 2py 0.422045 -0.568691 0.951765 -0.796269 0.118283 0.872616 9C 3pz 0.214966 -0.113376 0.403089 -0.256514 -0.127399 0.596787 9C 3px 0.160858 -0.052648 -0.148203 0.399705 -0.350073 0.375220 9C 3py -0.385969 0.567330 -0.253705 0.518537 -0.522744 0.050504 9C 1dz2 -0.001938 0.003592 -0.009503 0.014884 -0.008057 -0.007945 9C 1dxz -0.013055 0.009396 0.005613 -0.001145 0.006316 -0.013622 9C 1dyz -0.002765 -0.001102 -0.003864 0.002586 -0.000910 0.004746 9C 1dx2y2 -0.000436 0.009540 -0.011844 0.023155 -0.016086 0.003576 9C 1dxy 0.008113 -0.007661 0.015057 -0.014278 0.007447 0.007062 9C 2dz2 -0.088783 0.052991 -0.138220 0.061950 0.087840 -0.177508 9C 2dxz -0.123223 0.086847 -0.189105 -0.092315 0.229099 -0.408061 9C 2dyz 0.163292 -0.095959 -0.194025 0.115228 0.044792 -0.096382 9C 2dx2y2 -0.187332 0.225274 -0.171006 0.364667 -0.318936 0.153210 9C 2dxy 0.273027 -0.276271 0.165899 -0.324692 0.191397 0.061631 9C 1f0 0.013533 -0.026672 0.016549 -0.052671 0.048127 -0.015528 9C 1f+1 -0.013182 0.003567 -0.007996 -0.001469 0.010616 -0.020178 9C 1f-1 0.004948 -0.004521 -0.023771 0.009210 0.021599 -0.024696 9C 1f+2 -0.021736 0.018751 0.023062 0.008916 -0.046911 0.054161 9C 1f-2 0.018301 -0.021636 -0.015485 0.002475 0.020378 -0.015823 9C 1f+3 0.004003 0.001392 0.030347 -0.005621 -0.022935 0.034428 9C 1f-3 -0.009952 0.007853 0.003986 -0.007986 0.012889 -0.016841 10H 1s 0.007002 -0.024052 -0.005093 0.060710 0.083415 -0.067267 10H 2s 0.108812 0.375362 0.088566 -0.930290 -1.087888 0.765299 10H 3s -0.135007 -0.340595 -0.002155 0.698484 0.789580 -0.536436 10H 1pz 0.103462 0.117642 -0.026512 -0.057491 -0.056778 0.036150 10H 1px 0.014383 -0.029966 -0.044411 0.166959 0.201542 -0.118072 10H 1py -0.112369 -0.121254 -0.101325 0.111756 0.045476 0.044400 11H 1s -0.045913 -0.050250 0.007665 0.021499 0.024572 0.005404 11H 2s 0.774414 0.755387 0.100132 -0.263706 -0.229912 -0.284838 11H 3s -0.655115 -0.705705 0.111247 0.249228 0.359863 0.078109 11H 1pz -0.011252 0.002396 -0.010107 -0.022502 -0.062739 0.036633 11H 1px 0.157794 0.097769 -0.056125 0.062618 0.050026 0.005180 11H 1py -0.036923 -0.138542 -0.102427 0.168036 0.095954 0.121157 12H 1s 0.022270 0.029670 0.071322 -0.063825 -0.011573 -0.057071 12H 2s -0.334936 -0.639315 -0.916703 1.012312 0.284914 0.516809 12H 3s 0.070772 0.333212 0.774785 -0.678008 -0.122078 -0.482283 12H 1pz 0.054455 0.157627 0.137914 -0.252228 -0.147423 -0.067600 12H 1px -0.089555 -0.048901 -0.069148 0.047855 0.008055 -0.018164 12H 1py 0.023609 -0.036749 -0.117014 0.092100 0.009019 0.101781 13H 1s -0.007286 -0.022355 0.033886 0.066805 0.029832 -0.031578 13H 2s 0.063908 0.620688 -0.754325 -0.854431 -0.343837 0.364806 13H 3s -0.094965 -0.357568 0.522721 0.627963 0.169293 -0.298061 13H 1pz -0.010095 -0.054698 0.064888 -0.058345 -0.010239 0.041472 13H 1px -0.006771 -0.185884 0.222827 0.157130 0.078767 -0.038071 13H 1py -0.072113 0.007507 0.015250 -0.004199 -0.003098 -0.016605 14H 1s -0.000766 0.065737 -0.089217 -0.026498 -0.029946 -0.038282 14H 2s 0.140922 -1.091797 1.418036 0.460828 0.395971 0.432732 14H 3s -0.232067 0.886215 -1.011046 -0.320205 -0.373458 -0.438374 14H 1pz 0.030169 0.034784 0.001045 0.009030 0.019955 0.060707 14H 1px 0.038745 -0.209042 0.225157 0.047158 0.054065 0.045429 14H 1py -0.024980 -0.119759 0.217110 0.166795 0.096305 0.081981 15H 1s -0.055394 0.027449 0.012016 0.007583 0.018682 -0.002053 15H 2s 0.892007 -0.322766 -0.313312 -0.019443 -0.273206 -0.012899 15H 3s -0.792726 0.378570 0.132683 0.116964 0.133071 -0.151579 15H 1pz -0.103357 0.023868 0.094220 0.030033 0.036924 0.039483 15H 1px 0.057650 -0.056667 0.101415 0.143763 0.074090 0.074910 15H 1py -0.082472 0.051616 0.000071 0.031820 0.035326 -0.027250 16H 1s 0.019942 0.061002 0.001287 0.020029 0.172951 -0.044885 16H 2s -0.161111 -0.637462 -0.096874 -0.162561 -1.203490 -0.078494 16H 3s 0.023590 0.078361 0.088436 0.030826 0.212886 -0.090494 16H 1pz -0.017516 -0.051479 0.011192 -0.018688 -0.136732 0.040378 16H 1px 0.085912 0.061145 -0.036344 -0.023612 0.103126 0.026285 16H 1py 0.015776 0.039920 -0.045982 -0.002148 -0.017585 0.088186 17H 1s 0.009896 0.023041 -0.015943 -0.012150 -0.002487 0.163365 17H 2s -0.071802 -0.427775 0.108211 0.008427 -0.209903 -1.234929 17H 3s -0.025121 0.003849 -0.058845 -0.007954 -0.064583 0.272195 17H 1pz -0.036704 0.002448 0.001926 0.013742 -0.008104 0.038429 17H 1px 0.083579 0.044568 0.002071 -0.046103 0.036974 0.161428 17H 1py 0.056109 0.057609 0.049159 -0.010547 0.079486 -0.010974 18H 1s 0.007562 -0.021996 -0.015494 -0.012091 0.001196 -0.162755 18H 2s -0.055816 0.418813 0.092909 0.029769 0.214186 1.241345 18H 3s -0.026044 -0.005251 -0.060959 -0.002162 0.063071 -0.277016 18H 1pz 0.037534 0.000615 0.000162 -0.012869 -0.007524 0.033981 18H 1px -0.080497 0.043535 -0.002335 0.046030 0.037253 0.167385 18H 1py -0.056148 0.056428 -0.050885 0.015507 0.081196 -0.006950 19H 1s 0.019074 -0.062873 0.001424 0.008425 -0.172691 0.060453 19H 2s -0.151113 0.644321 -0.106555 -0.079731 1.206811 -0.004685 19H 3s 0.021772 -0.076372 0.087703 0.018731 -0.214561 0.109430 19H 1pz 0.016350 -0.053802 -0.011049 0.009391 -0.134255 0.049119 19H 1px -0.084921 0.060384 0.034327 0.029882 0.100241 0.025609 19H 1py -0.015344 0.039455 0.041430 0.002685 -0.023243 0.099479 20H 1s -0.055943 -0.025234 0.015521 0.005076 -0.018485 0.004487 20H 2s 0.900887 0.273159 -0.356006 0.008881 0.267825 -0.017285 20H 3s -0.798617 -0.352359 0.186997 0.082425 -0.133208 0.177334 20H 1pz 0.105145 0.012533 -0.100792 -0.028731 0.040153 0.039421 20H 1px -0.058596 -0.062221 -0.090414 -0.144453 0.080506 0.077996 20H 1py 0.082588 0.049920 -0.003955 -0.027175 0.034336 -0.033375 21H 1s -0.000755 -0.071942 -0.081535 -0.029570 0.033356 0.041612 21H 2s 0.134292 1.188842 1.298984 0.505237 -0.452440 -0.472019 21H 3s -0.229748 -0.958347 -0.908966 -0.360349 0.409081 0.471206 21H 1pz -0.030571 0.030525 -0.004349 -0.009458 0.018942 0.062359 21H 1px -0.037725 -0.223227 -0.201970 -0.054578 0.062237 0.051551 21H 1py 0.026329 -0.134798 -0.204331 -0.169680 0.108387 0.084328 22H 1s -0.007909 0.022757 0.030999 0.065271 -0.033772 0.031550 22H 2s 0.068697 -0.643883 -0.682788 -0.850970 0.405147 -0.360866 22H 3s -0.099026 0.375113 0.486244 0.621169 -0.213054 0.300339 22H 1pz 0.010701 -0.063337 -0.063585 0.052741 -0.009896 0.045000 22H 1px 0.007765 -0.196278 -0.202365 -0.159763 0.092445 -0.034048 22H 1py 0.073060 0.004869 -0.020742 0.004923 -0.001281 -0.019234 23H 1s 0.023446 -0.020742 0.074965 -0.065604 0.012187 0.053145 23H 2s -0.359049 0.500541 -0.986223 1.029299 -0.306475 -0.477949 23H 3s 0.095560 -0.226400 0.821233 -0.691465 0.133735 0.470527 23H 1pz -0.056355 0.129495 -0.157306 0.254453 -0.158261 -0.063201 23H 1px 0.092199 -0.035499 0.069698 -0.040602 0.004901 -0.032364 23H 1py -0.019554 -0.022960 0.123471 -0.096612 0.010610 0.103083 24H 1s -0.045155 0.049078 0.002377 0.024883 -0.028073 -0.012971 24H 2s 0.763891 -0.723605 0.180818 -0.323463 0.269433 0.373236 24H 3s -0.635940 0.690162 0.038667 0.289366 -0.395421 -0.132881 24H 1pz 0.014046 0.000486 0.010575 0.019092 -0.063354 0.044099 24H 1px -0.155855 0.105478 0.046074 -0.049960 0.044877 -0.013601 24H 1py 0.034835 -0.119023 0.121307 -0.179062 0.107029 0.134166 25H 1s 0.007424 0.019531 -0.006563 0.054570 -0.084297 0.081908 25H 2s 0.100148 -0.295957 0.112368 -0.847763 1.104733 -0.964722 25H 3s -0.123774 0.283909 -0.023049 0.644304 -0.803926 0.685325 25H 1pz -0.101680 0.113310 0.014512 0.060919 -0.064789 0.033504 25H 1px -0.016932 -0.011842 0.044146 -0.147640 0.201241 -0.157468 25H 1py 0.113615 -0.102445 0.115159 -0.116477 0.051990 0.040539 26O 1s 0.002046 -0.000164 -0.001239 -0.000242 -0.001454 0.001931 26O 2s 0.004970 -0.001110 -0.002102 -0.001012 -0.001988 0.002615 26O 3s 0.006143 0.018053 -0.044387 0.004971 -0.047150 0.052734 26O 4s -0.143801 -0.062302 0.344107 -0.020233 0.313258 -0.377905 26O 5s -0.669765 -0.305886 1.204487 0.372150 0.682843 -0.537248 26O 1pz -0.016092 0.007149 0.036127 -0.000474 -0.009043 0.032002 26O 1px 0.012904 -0.017689 -0.026971 0.003812 -0.008631 -0.004214 26O 1py -0.009030 -0.000105 0.013182 -0.009911 -0.022782 -0.007303 26O 2pz 0.035635 0.002090 -0.065288 -0.021263 -0.062402 0.028030 26O 2px 0.168778 0.068503 -0.359726 -0.025874 -0.170247 0.177301 26O 2py 0.049499 0.029016 -0.166880 -0.052252 -0.110949 0.090665 26O 3pz -0.189446 -0.115244 0.220338 0.071607 -0.241317 -0.132068 26O 3px 0.135043 0.149892 -0.224424 -0.101539 -0.510582 0.448908 26O 3py 0.225128 -0.067197 0.056210 0.021872 -0.282373 0.249882 26O 1dz2 -0.000262 0.001510 0.003183 -0.000130 0.001778 0.000587 26O 1dxz 0.002045 0.000302 0.001079 -0.001143 -0.003818 0.000320 26O 1dyz 0.000053 0.001353 0.002530 -0.001397 -0.000917 0.001730 26O 1dx2y2 0.001437 -0.000624 -0.002942 0.001937 -0.000771 -0.002349 26O 1dxy 0.001079 -0.000742 -0.000469 -0.002722 -0.003688 0.002341 26O 2dz2 0.061974 -0.028479 -0.114850 0.152511 -0.032955 0.043152 26O 2dxz 0.082788 0.046801 -0.003676 0.048666 0.145838 -0.066318 26O 2dyz 0.006719 0.009576 0.001225 -0.127196 -0.131186 0.035264 26O 2dx2y2 0.057352 -0.011596 0.041778 0.174057 0.100134 -0.029861 26O 2dxy -0.102065 -0.009733 0.060498 0.027093 0.082478 -0.021458 26O 1f0 -0.000653 -0.002547 -0.001727 0.001848 0.002103 0.000043 26O 1f+1 -0.001232 -0.001148 0.004604 0.001098 0.006168 -0.002289 26O 1f-1 0.000860 -0.001697 0.002036 -0.001170 -0.000103 -0.004532 26O 1f+2 0.001559 0.000668 -0.000340 0.001015 -0.001202 0.001585 26O 1f-2 0.000082 0.000968 -0.000865 0.000762 0.000233 -0.000140 26O 1f+3 -0.005064 -0.004354 0.001432 0.003579 0.002912 0.000226 26O 1f-3 -0.002427 -0.000487 0.007880 -0.001227 0.004984 -0.005169 27O 1s -0.001351 0.002303 -0.000632 0.002454 0.002519 0.002277 27O 2s -0.004814 0.006578 -0.002854 0.006934 0.005757 0.004828 27O 3s 0.031451 -0.035178 0.030542 -0.020949 0.003268 0.017443 27O 4s -0.042189 0.060271 -0.129763 -0.076912 -0.141077 -0.178314 27O 5s 0.298330 0.345648 0.087124 0.070493 -0.017349 -0.400994 27O 1pz 0.014469 0.000881 0.005661 -0.035566 -0.032847 0.007410 27O 1px -0.026120 0.017905 0.001437 0.021541 0.020407 -0.026101 27O 1py -0.020606 -0.007590 -0.002017 0.025785 0.007836 -0.017683 27O 2pz -0.030913 0.005736 -0.007382 -0.033168 -0.002031 -0.007307 27O 2px -0.108745 -0.082062 0.024399 0.090502 0.076405 0.051283 27O 2py 0.016606 0.033759 -0.008945 -0.015737 0.000419 -0.039833 27O 3pz 0.393196 -0.090205 -0.028745 -0.081868 -0.050527 -0.032390 27O 3px 0.576799 -0.278432 0.118165 -0.328636 0.037799 0.655857 27O 3py -0.427181 0.164024 -0.171235 0.291614 0.235888 -0.113956 27O 1dz2 -0.000593 -0.000103 0.000601 0.000663 -0.001249 -0.000880 27O 1dxz 0.000168 0.000766 -0.001371 -0.004173 0.000890 -0.000304 27O 1dyz 0.000179 -0.001623 0.001219 0.001932 -0.000677 -0.000888 27O 1dx2y2 -0.001948 -0.000809 0.000837 0.002113 0.002365 -0.000302 27O 1dxy -0.003263 -0.000302 0.000619 0.002225 0.001629 -0.004108 27O 2dz2 -0.079230 0.101943 -0.155208 -0.130307 0.065353 -0.083593 27O 2dxz -0.135357 0.056629 -0.045721 -0.087965 0.079074 -0.052515 27O 2dyz 0.038303 0.021859 0.051976 0.075496 0.011607 0.032475 27O 2dx2y2 -0.054150 0.046092 -0.042864 -0.109768 0.003928 -0.115513 27O 2dxy -0.026285 -0.043568 0.080266 -0.023768 0.001639 -0.022600 27O 1f0 0.002871 0.001257 -0.002336 -0.001434 0.000382 0.001562 27O 1f+1 -0.001574 0.004282 -0.001406 -0.000550 0.000028 -0.001813 27O 1f-1 0.001804 -0.001995 0.002829 0.001623 0.000246 0.001480 27O 1f+2 0.000076 -0.000988 0.003664 0.000032 0.000955 0.000899 27O 1f-2 0.003431 -0.001337 -0.000219 -0.001213 -0.002773 0.000602 27O 1f+3 -0.000475 0.004886 -0.002458 0.001357 -0.000292 -0.001470 27O 1f-3 0.002878 -0.002719 0.000334 -0.001941 -0.002147 0.000542 28O 1s -0.000001 -0.001686 0.003724 -0.001868 -0.002720 -0.000105 28O 2s -0.000336 -0.004380 0.011247 -0.004155 -0.004371 -0.001450 28O 3s 0.001505 0.016976 -0.047356 -0.002039 -0.053078 0.037221 28O 4s 0.043875 -0.004734 -0.013873 0.120285 0.398795 -0.215095 28O 5s -0.064921 -0.405615 -0.125484 -0.256880 0.378333 -0.344006 28O 1pz -0.006478 -0.000717 -0.017113 -0.014031 -0.000686 0.008741 28O 1px 0.010829 0.001380 -0.040947 -0.005029 -0.032662 0.049217 28O 1py 0.011737 -0.010992 -0.046103 0.013187 -0.004872 0.013179 28O 2pz -0.032746 0.079698 0.058904 -0.009640 -0.127347 0.101232 28O 2px 0.079451 -0.041945 -0.077700 0.000231 0.119525 -0.079282 28O 2py -0.041171 0.005336 -0.005170 -0.013850 -0.026447 0.047785 28O 3pz 0.475187 0.113272 -0.490806 0.028871 -0.332168 0.239432 28O 3px -0.173889 -0.071839 0.159051 -0.026389 0.546726 -0.237100 28O 3py 0.138013 0.085086 -0.274985 0.116760 -0.024217 0.160428 28O 1dz2 0.005311 0.001636 -0.001573 -0.000953 -0.002158 -0.000584 28O 1dxz -0.001957 -0.001165 -0.001525 0.000589 0.001299 -0.000287 28O 1dyz 0.000414 -0.002095 -0.002450 0.000114 -0.001132 0.001667 28O 1dx2y2 -0.002394 0.000440 0.001596 0.000029 -0.000359 -0.000914 28O 1dxy 0.001413 0.000323 0.001691 0.000060 0.000360 -0.003215 28O 2dz2 0.212898 0.101099 0.075833 0.064085 0.045108 -0.102240 28O 2dxz 0.106694 0.074185 0.035268 0.009289 -0.039948 0.007122 28O 2dyz -0.105694 -0.025750 -0.002081 -0.022499 -0.003923 0.066299 28O 2dx2y2 0.184551 0.112718 -0.000249 -0.056309 0.030818 0.038317 28O 2dxy -0.006908 0.058767 -0.028669 0.029648 -0.010234 0.059260 28O 1f0 0.000529 -0.000789 0.000982 -0.000088 0.000941 -0.002352 28O 1f+1 0.000006 -0.003056 0.002721 0.000599 0.003785 -0.003628 28O 1f-1 -0.000499 0.000525 0.001850 -0.000288 0.000680 -0.000388 28O 1f+2 0.001377 0.003804 -0.001948 0.001129 -0.004264 0.003468 28O 1f-2 0.000872 0.001672 0.002048 0.000626 0.002379 -0.002104 28O 1f+3 -0.001506 0.000258 -0.000789 0.003160 -0.000186 0.001306 28O 1f-3 0.000212 -0.000100 0.001984 -0.000703 -0.000217 -0.004490 29O 1s 0.003244 0.005841 -0.000063 -0.000151 0.008706 0.007976 29O 2s 0.008176 0.015405 -0.000488 -0.000340 0.024492 0.021579 29O 3s -0.013213 -0.038412 0.009128 -0.001168 -0.095622 -0.064798 29O 4s -0.157978 -0.255367 -0.035721 0.007150 -0.196159 -0.282223 29O 5s 0.569614 1.180146 0.024057 0.048970 1.480201 1.456948 29O 1pz 0.011609 0.011728 0.005589 0.004954 0.045809 -0.042005 29O 1px -0.034058 -0.017281 0.011748 0.012259 -0.013503 -0.034597 29O 1py -0.029476 -0.024982 0.001839 0.010886 0.000051 -0.006127 29O 2pz -0.030246 -0.073474 -0.013308 -0.035656 -0.236999 0.184886 29O 2px 0.036648 0.057936 -0.011800 -0.013691 0.044398 0.179846 29O 2py -0.032923 -0.035811 0.016961 0.009481 -0.083968 -0.085784 29O 3pz 0.046770 0.005821 -0.178011 -0.047642 -0.112642 0.223629 29O 3px -0.273839 -0.188794 -0.058819 0.079256 -0.325694 -0.205088 29O 3py 0.072213 -0.344715 -0.037864 -0.124356 -0.351214 -0.397001 29O 1dz2 -0.001274 0.000093 -0.001046 0.000502 -0.000726 0.000481 29O 1dxz -0.001153 -0.000460 0.002393 0.000291 -0.000042 -0.000875 29O 1dyz 0.000920 -0.000790 0.000764 -0.001276 -0.001521 0.001286 29O 1dx2y2 0.002011 0.000859 0.000577 -0.000699 0.000915 0.001039 29O 1dxy -0.001461 0.000526 0.000558 0.000966 -0.000082 0.001236 29O 2dz2 0.039649 0.197777 -0.023241 0.050508 0.339799 0.074392 29O 2dxz -0.020907 0.050734 0.048905 0.010726 0.007179 0.216482 29O 2dyz 0.058763 0.096920 0.049309 0.029910 0.264931 -0.196213 29O 2dx2y2 0.106073 0.074564 0.018124 -0.043609 0.022562 0.101662 29O 2dxy -0.138377 -0.209427 0.043669 0.037282 -0.169313 -0.372823 29O 1f0 -0.000223 -0.002297 0.000806 -0.000495 -0.007745 -0.003309 29O 1f+1 -0.000557 0.000176 -0.001004 0.000308 0.001750 0.001944 29O 1f-1 -0.002514 -0.006012 0.000213 -0.001611 -0.016885 0.003267 29O 1f+2 0.000195 0.001777 0.000408 0.000793 0.007505 -0.002391 29O 1f-2 0.000660 0.000801 0.001611 0.001265 0.005946 -0.014694 29O 1f+3 0.000632 0.001896 -0.001201 -0.000525 0.001862 0.007329 29O 1f-3 0.001314 0.001043 -0.000749 -0.001437 -0.001069 0.009001 30O 1s 0.000857 0.000451 -0.001745 -0.002411 -0.001576 0.002257 30O 2s 0.000468 0.002931 -0.004990 -0.005060 -0.002255 0.004096 30O 3s 0.054458 -0.048166 0.030889 -0.028558 -0.035349 0.043538 30O 4s -0.323354 0.184844 -0.057137 0.325422 0.270854 -0.339732 30O 5s -1.074168 0.493791 -0.740075 0.535017 0.179688 -0.805772 30O 1pz 0.006615 -0.011312 0.011940 0.006510 -0.006154 0.000603 30O 1px -0.025386 -0.016333 0.005921 0.032165 0.003129 -0.005915 30O 1py 0.020878 -0.005470 0.000764 -0.003153 -0.006909 -0.006720 30O 2pz 0.156084 -0.082187 0.089945 -0.160007 -0.040749 0.121906 30O 2px -0.252895 0.113506 -0.086688 0.175446 0.120464 -0.143591 30O 2py -0.221058 0.066770 -0.076223 0.164027 0.068101 -0.164132 30O 3pz 0.098989 -0.141788 0.227021 0.148714 0.013640 0.366130 30O 3px -0.316491 0.308200 -0.184002 0.203990 0.207060 -0.379582 30O 3py -0.075368 0.226263 -0.073318 -0.199809 -0.006323 -0.435918 30O 1dz2 -0.002417 -0.000630 0.001743 -0.000211 0.002900 -0.000517 30O 1dxz -0.000385 -0.000665 -0.002038 0.002180 -0.001862 -0.002558 30O 1dyz -0.000006 0.001658 -0.000823 -0.000508 -0.001005 -0.002158 30O 1dx2y2 -0.000268 0.000521 0.000236 -0.002252 -0.000132 -0.000697 30O 1dxy 0.003796 0.000895 -0.000428 -0.002225 -0.000376 0.005743 30O 2dz2 -0.157484 -0.042201 0.126610 -0.057577 0.112566 -0.131205 30O 2dxz 0.001665 -0.082274 0.181056 -0.049863 0.020576 0.064183 30O 2dyz 0.137504 0.033735 -0.068172 0.023632 -0.078406 0.029945 30O 2dx2y2 -0.170148 -0.015371 0.064105 -0.056449 0.051140 -0.030101 30O 2dxy -0.099734 0.058292 -0.010603 0.066287 0.018527 -0.139617 30O 1f0 -0.005456 0.003535 -0.004082 0.001765 0.000318 -0.005659 30O 1f+1 0.000350 0.000065 0.000106 0.000097 -0.000973 -0.001532 30O 1f-1 0.001221 0.000976 -0.000585 0.000377 -0.001054 0.000817 30O 1f+2 0.002545 -0.003809 0.003573 0.000155 -0.000411 0.001544 30O 1f-2 0.007478 -0.005660 0.002346 -0.003285 -0.004017 0.004328 30O 1f+3 0.000127 0.000643 -0.000654 -0.000131 0.001822 -0.001030 30O 1f-3 0.006242 -0.003566 0.003037 -0.001808 -0.000968 0.005111 31O 1s 0.000858 -0.000479 -0.001595 -0.002346 0.001766 -0.002135 31O 2s 0.000450 -0.002994 -0.004450 -0.005123 0.002810 -0.003538 31O 3s 0.055058 0.049280 0.025799 -0.022800 0.033064 -0.049896 31O 4s -0.326064 -0.189893 -0.043233 0.294486 -0.270484 0.361540 31O 5s -1.083245 -0.557775 -0.674769 0.477585 -0.176355 0.858446 31O 1pz -0.006606 -0.011299 -0.010831 -0.007157 -0.004810 0.002485 31O 1px 0.024668 -0.016636 -0.003857 -0.033038 0.003213 -0.006289 31O 1py -0.021060 -0.006844 -0.000647 0.002337 -0.008029 -0.007106 31O 2pz -0.157677 -0.090272 -0.080524 0.150566 -0.040215 0.132224 31O 2px 0.254629 0.119452 0.076779 -0.160552 0.116879 -0.156924 31O 2py 0.222739 0.072392 0.067580 -0.152843 0.066412 -0.175609 31O 3pz -0.097465 -0.158924 -0.204355 -0.171746 0.017289 0.377060 31O 3px 0.323796 0.327871 0.152760 -0.162452 0.214581 -0.407589 31O 3py 0.075254 0.245658 0.040950 0.227110 0.007614 -0.443404 31O 1dz2 -0.002425 0.000808 0.001623 -0.000310 -0.002881 0.000443 31O 1dxz -0.000361 0.000478 -0.001994 0.002200 0.001839 0.002728 31O 1dyz -0.000018 -0.001762 -0.000604 -0.000592 0.000912 0.002407 31O 1dx2y2 -0.000269 -0.000501 0.000356 -0.002273 0.000065 0.000715 31O 1dxy 0.003788 -0.000874 -0.000472 -0.002112 0.000462 -0.005949 31O 2dz2 -0.158058 0.057253 0.122187 -0.062897 -0.108816 0.137565 31O 2dxz -0.000380 0.095778 0.170755 -0.044322 -0.024913 -0.067497 31O 2dyz 0.138323 -0.042157 -0.063850 0.025333 0.075489 -0.035403 31O 2dx2y2 -0.171684 0.022719 0.063905 -0.058975 -0.049103 0.031544 31O 2dxy -0.100472 -0.060172 -0.003832 0.059143 -0.020221 0.145956 31O 1f0 0.005474 0.003748 0.003596 -0.001400 0.000075 -0.005992 31O 1f+1 -0.000318 0.000138 -0.000117 -0.000093 -0.000935 -0.001573 31O 1f-1 -0.001191 0.001102 0.000513 -0.000379 -0.000992 0.000887 31O 1f+2 -0.002581 -0.004090 -0.003221 -0.000428 -0.000315 0.001830 31O 1f-2 -0.007595 -0.005784 -0.001805 0.002654 -0.003874 0.004903 31O 1f+3 -0.000150 0.000614 0.000638 0.000237 0.001730 -0.001037 31O 1f-3 -0.006258 -0.003769 -0.002565 0.001471 -0.000881 0.005405 32O 1s 0.003120 -0.005803 0.000042 -0.000766 -0.008661 -0.007941 32O 2s 0.007813 -0.015332 -0.000251 -0.002043 -0.024394 -0.021145 32O 3s -0.011446 0.038921 0.009502 0.004891 0.095939 0.055497 32O 4s -0.156531 0.250698 -0.044914 0.024543 0.192059 0.320455 32O 5s 0.547613 -1.172041 0.049352 -0.063739 -1.474650 -1.478157 32O 1pz -0.012059 0.012412 -0.006139 -0.001799 0.045464 -0.045069 32O 1px 0.033272 -0.017150 -0.010977 -0.012948 -0.013099 -0.036370 32O 1py 0.029280 -0.024315 0.000312 -0.011750 0.001981 -0.010918 32O 2pz 0.029751 -0.074455 0.014287 0.019957 -0.232482 0.205692 32O 2px -0.034395 0.057758 0.010870 0.016567 0.046832 0.181454 32O 2py 0.031029 -0.037576 -0.017114 -0.013520 -0.089234 -0.071755 32O 3pz -0.043487 0.009859 0.173213 0.041386 -0.119281 0.262246 32O 3px 0.271167 -0.184341 0.056940 -0.097836 -0.319209 -0.229987 32O 3py -0.076872 -0.343997 0.051389 0.092822 -0.361399 -0.383645 32O 1dz2 -0.001281 -0.000132 -0.000982 0.000502 0.000710 -0.000486 32O 1dxz -0.001088 0.000470 0.002342 0.000275 -0.000146 0.000918 32O 1dyz 0.000898 0.000828 0.000709 -0.001119 0.001466 -0.001533 32O 1dx2y2 0.001993 -0.000846 0.000611 -0.000689 -0.000976 -0.001015 32O 1dxy -0.001442 -0.000518 0.000620 0.000923 -0.000030 -0.001102 32O 2dz2 0.034419 -0.197810 -0.020988 0.026267 -0.328814 -0.058986 32O 2dxz -0.022059 -0.048892 0.049895 0.007974 -0.012002 -0.221082 32O 2dyz 0.060885 -0.107957 0.051578 0.013393 -0.276453 0.212600 32O 2dx2y2 0.105212 -0.071312 0.021735 -0.046819 -0.016860 -0.128127 32O 2dxy -0.131172 0.204655 0.035695 0.049013 0.168881 0.361931 32O 1f0 -0.000049 -0.002035 -0.000874 -0.000050 -0.006838 -0.002605 32O 1f+1 0.000611 0.000288 0.001129 -0.000157 0.001815 0.002132 32O 1f-1 0.002378 -0.006228 -0.000277 0.000460 -0.016930 0.004532 32O 1f+2 -0.000258 0.002101 -0.000273 -0.000273 0.008004 -0.002900 32O 1f-2 -0.000810 0.000918 -0.001638 -0.000910 0.006009 -0.015095 32O 1f+3 -0.000489 0.001885 0.001141 0.000605 0.002101 0.006482 32O 1f-3 -0.001199 0.000960 0.000749 0.001362 -0.001172 0.009417 33O 1s 0.000146 0.002072 0.003539 -0.001621 0.002635 -0.000517 33O 2s 0.000058 0.005476 0.010753 -0.003673 0.004100 -0.000004 33O 3s 0.000310 -0.020644 -0.045683 0.000353 0.054197 -0.037903 33O 4s 0.040631 -0.002239 -0.011517 0.094843 -0.397446 0.259287 33O 5s -0.049201 0.427087 -0.161048 -0.255253 -0.353370 0.346757 33O 1pz 0.006612 0.000900 0.016855 0.014142 -0.001032 0.012395 33O 1px -0.010268 0.003193 0.039702 0.003232 -0.035889 0.045806 33O 1py -0.011870 -0.005566 0.046699 -0.013494 -0.005208 0.014125 33O 2pz 0.033627 0.077479 -0.063362 0.005020 -0.121018 0.120229 33O 2px -0.080198 -0.038994 0.078363 0.005616 0.113015 -0.092141 33O 2py 0.041720 0.006333 0.005579 0.012003 -0.026887 0.054354 33O 3pz -0.468599 0.139685 0.474536 -0.035673 -0.364953 0.204614 33O 3px 0.171905 -0.080512 -0.144578 0.051581 0.557365 -0.245965 33O 3py -0.135515 0.095691 0.268199 -0.116312 -0.042622 0.130759 33O 1dz2 0.005272 -0.001745 -0.001302 -0.001043 0.002245 0.000349 33O 1dxz -0.001995 0.001056 -0.001590 0.000598 -0.001259 0.000641 33O 1dyz 0.000428 0.001870 -0.002623 0.000284 0.001299 -0.001692 33O 1dx2y2 -0.002359 -0.000325 0.001628 0.000033 0.000274 0.000931 33O 1dxy 0.001423 -0.000201 0.001797 -0.000039 -0.000485 0.003380 33O 2dz2 0.215461 -0.097806 0.085658 0.054123 -0.051590 0.103485 33O 2dxz 0.107834 -0.073672 0.039283 0.007790 0.036353 -0.009787 33O 2dyz -0.106357 0.026611 -0.006180 -0.020140 0.006787 -0.066931 33O 2dx2y2 0.186891 -0.108916 0.005978 -0.060376 -0.030549 -0.043790 33O 2dxy -0.008640 -0.059456 -0.025304 0.026888 0.010757 -0.063360 33O 1f0 -0.000598 -0.000987 -0.001004 0.000124 0.000944 -0.002208 33O 1f+1 -0.000143 -0.003194 -0.002445 -0.000554 0.003895 -0.003614 33O 1f-1 0.000461 0.000427 -0.001848 0.000371 0.000794 -0.000196 33O 1f+2 -0.001241 0.003961 0.001668 -0.001179 -0.004341 0.003137 33O 1f-2 -0.000877 0.001500 -0.002243 -0.000277 0.002370 -0.002291 33O 1f+3 0.001589 0.000487 0.000849 -0.003159 -0.000071 0.001153 33O 1f-3 -0.000239 -0.000298 -0.002117 0.000831 -0.000236 -0.004605 34O 1s -0.001383 -0.002407 -0.000638 0.002309 -0.002563 -0.002213 34O 2s -0.004891 -0.007010 -0.002747 0.006523 -0.005934 -0.004673 34O 3s 0.031787 0.039098 0.026837 -0.018576 -0.001798 -0.017897 34O 4s -0.042178 -0.073719 -0.110811 -0.081266 0.137485 0.174720 34O 5s 0.281642 -0.354981 0.121549 0.039751 -0.007609 0.410305 34O 1pz -0.014309 -0.000761 -0.007141 0.034292 -0.034110 0.006318 34O 1px 0.026250 0.016461 -0.002641 -0.019180 0.018674 -0.029724 34O 1py 0.020662 -0.006073 0.002971 -0.025560 0.009371 -0.017312 34O 2pz 0.030182 0.004939 0.006426 0.033173 -0.004466 -0.007814 34O 2px 0.106224 -0.087594 -0.011662 -0.094981 0.070577 0.046345 34O 2py -0.015711 0.035322 0.004603 0.019050 0.002601 -0.039005 34O 3pz -0.391195 -0.087147 0.032889 0.074254 -0.045387 -0.020630 34O 3px -0.583881 -0.284962 -0.076551 0.295958 0.041720 0.703832 34O 3py 0.431121 0.165542 0.160908 -0.267757 0.217655 -0.143333 34O 1dz2 -0.000580 0.000083 0.000671 0.000687 0.001169 0.001015 34O 1dxz 0.000186 -0.000660 -0.001274 -0.004209 -0.000595 0.000291 34O 1dyz 0.000185 0.001644 0.001097 0.002020 0.000560 0.000865 34O 1dx2y2 -0.001900 0.000900 0.000680 0.002082 -0.002349 0.000336 34O 1dxy -0.003300 0.000374 0.000626 0.002072 -0.001670 0.004423 34O 2dz2 -0.076976 -0.104309 -0.146087 -0.138778 -0.049403 0.088369 34O 2dxz -0.135364 -0.056742 -0.041471 -0.094690 -0.072720 0.054138 34O 2dyz 0.035271 -0.020844 0.054130 0.071452 -0.018100 -0.031857 34O 2dx2y2 -0.053757 -0.043880 -0.036260 -0.114782 0.003965 0.118221 34O 2dxy -0.026023 0.051868 0.075478 -0.021162 -0.001218 0.024321 34O 1f0 -0.002872 0.001418 0.002341 0.001486 0.000292 0.001750 34O 1f+1 0.001662 0.004445 0.001005 0.000878 0.000040 -0.001834 34O 1f-1 -0.001780 -0.002181 -0.002609 -0.001715 0.000358 0.001412 34O 1f+2 -0.000057 -0.001256 -0.003587 -0.000006 0.001112 0.001045 34O 1f-2 -0.003458 -0.001331 0.000278 0.001026 -0.002765 0.000688 34O 1f+3 0.000574 0.005083 0.001971 -0.001006 -0.000341 -0.001769 34O 1f-3 -0.002911 -0.002790 -0.000053 0.001662 -0.002226 0.000460 35O 1s 0.002052 -0.000006 -0.001119 -0.000215 0.001471 -0.002238 35O 2s 0.005037 0.000729 -0.001851 -0.001033 0.001969 -0.003509 35O 3s 0.004684 -0.019965 -0.043347 0.007732 0.049626 -0.049301 35O 4s -0.137464 0.086401 0.333064 -0.035841 -0.328823 0.372072 35O 5s -0.653838 0.354892 1.178114 0.334296 -0.741011 0.606490 35O 1pz 0.015979 0.003655 -0.035416 -0.000842 -0.008080 0.034756 35O 1px -0.012994 -0.015938 0.027328 -0.004959 -0.010456 -0.005379 35O 1py 0.009049 -0.001517 -0.013729 0.008832 -0.022076 -0.004359 35O 2pz -0.035256 0.005079 0.064215 0.017408 -0.065304 0.034845 35O 2px -0.162685 0.087500 0.351006 0.017210 -0.188057 0.171348 35O 2py -0.047524 0.035577 0.163287 0.045933 -0.121478 0.092563 35O 3pz 0.184929 -0.121195 -0.216115 -0.083037 -0.225179 -0.126344 35O 3px -0.130375 0.161344 0.215058 0.080674 -0.518006 0.496951 35O 3py -0.226190 -0.056149 -0.046616 -0.044207 -0.264963 0.279047 35O 1dz2 -0.000295 -0.001234 0.003229 -0.000269 -0.001908 -0.000705 35O 1dxz 0.002048 -0.000154 0.001181 -0.000971 0.003781 -0.001113 35O 1dyz 0.000065 -0.001078 0.002597 -0.001337 0.000820 -0.002345 35O 1dx2y2 0.001409 0.000344 -0.002865 0.001876 0.000862 0.002722 35O 1dxy 0.001095 0.000790 -0.000497 -0.002428 0.003780 -0.002881 35O 2dz2 0.059451 0.014565 -0.116298 0.154822 0.027434 -0.051716 35O 2dxz 0.083104 -0.051114 -0.004220 0.038935 -0.152220 0.058338 35O 2dyz 0.007989 -0.004301 0.003307 -0.119060 0.136680 -0.039182 35O 2dx2y2 0.057818 0.002639 0.039889 0.167192 -0.113005 0.032991 35O 2dxy -0.101929 0.013639 0.058927 0.022271 -0.083848 0.025713 35O 1f0 0.000631 -0.002222 0.002053 -0.001944 0.002288 0.000396 35O 1f+1 0.001098 -0.001216 -0.004404 -0.000799 0.006500 -0.002166 35O 1f-1 -0.000974 -0.001838 -0.002015 0.001171 -0.000015 -0.004364 35O 1f+2 -0.001522 0.000822 0.000248 -0.001036 -0.001096 0.001557 35O 1f-2 -0.000027 0.001036 0.000754 -0.000634 0.000175 -0.000431 35O 1f+3 0.004963 -0.004182 -0.000943 -0.003719 0.003195 0.000293 35O 1f-3 0.002258 -0.000991 -0.007927 0.001659 0.005184 -0.005039 336 337 338 339 340 341 1.59992 1.60197 1.61003 1.61032 1.63439 1.64054 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s -0.000331 0.000031 -0.000241 0.000466 0.000170 -0.000827 0Rh 2s 0.001322 -0.000555 0.001807 -0.001293 -0.000401 0.002497 0Rh 3s -0.001135 -0.000160 -0.000311 0.001946 0.000750 -0.003322 0Rh 4s -0.006398 0.002729 -0.009107 0.006182 0.001867 -0.011773 0Rh 5s 0.007082 -0.005591 0.019212 -0.003197 0.000303 0.004427 0Rh 6s 0.008504 0.005455 -0.033153 -0.021793 -0.013670 0.060912 0Rh 7s -0.044663 -0.184333 0.356801 0.140504 0.118662 -0.611011 0Rh 8s 0.049398 -0.289043 0.120747 0.175810 -0.001366 0.106478 0Rh 1pz -0.002283 -0.001883 -0.001754 0.002744 0.000205 0.001914 0Rh 1px 0.000896 0.005615 0.001249 -0.004134 -0.000703 0.001822 0Rh 1py -0.001913 0.006802 0.000983 -0.001308 0.000661 -0.002280 0Rh 2pz 0.007405 0.006336 0.005707 -0.009556 -0.000421 -0.005731 0Rh 2px -0.003312 -0.018898 -0.003923 0.013832 0.002649 -0.007223 0Rh 2py 0.006444 -0.023683 -0.003166 0.004482 -0.002370 0.007500 0Rh 3pz 0.005852 0.000805 0.004475 0.006650 -0.006093 -0.015541 0Rh 3px 0.005978 -0.000612 -0.006322 0.002537 -0.005979 0.023022 0Rh 3py 0.000077 0.016633 -0.003109 -0.001952 0.002876 0.004026 0Rh 4pz -0.065894 -0.044997 -0.052665 0.028771 0.030048 0.098291 0Rh 4px -0.003344 0.115881 0.050759 -0.095521 0.009233 -0.050134 0Rh 4py -0.038597 0.069015 0.031221 -0.016059 0.003205 -0.060682 0Rh 5pz 0.114084 0.097752 0.095575 -0.030588 -0.084170 -0.193192 0Rh 5px 0.011095 -0.200127 -0.101708 0.180025 -0.032464 0.111571 0Rh 5py 0.061173 -0.057816 -0.053398 0.007456 0.001574 0.098936 0Rh 6pz -0.510503 -0.718184 -0.202731 0.073733 1.111981 0.848181 0Rh 6px -0.148128 1.001234 0.278556 -0.879381 0.421009 -0.363175 0Rh 6py -0.028246 -1.028959 0.145064 0.288903 -0.339128 0.020628 0Rh 1dz2 -0.003591 0.003004 0.004124 -0.003650 0.016383 -0.003152 0Rh 1dxz 0.003808 -0.001127 0.003111 0.002623 0.009254 -0.003307 0Rh 1dyz 0.007993 0.004786 0.002522 0.007670 -0.011643 -0.023690 0Rh 1dx2y2 -0.003446 0.003786 -0.001319 0.003637 0.014546 -0.012385 0Rh 1dxy -0.001010 -0.000859 0.002954 0.004644 -0.001664 -0.007552 0Rh 2dz2 0.001842 -0.000445 -0.000413 0.000822 -0.003787 0.000915 0Rh 2dxz -0.000693 0.000546 -0.000618 -0.000355 -0.002511 -0.000440 0Rh 2dyz 0.001955 -0.000316 -0.000811 0.000496 0.001095 0.003119 0Rh 2dx2y2 0.001321 -0.000585 -0.000377 0.000382 -0.003200 0.001553 0Rh 2dxy 0.000763 -0.000527 -0.000343 -0.000208 -0.000384 0.001461 0Rh 3dz2 0.000458 -0.005113 -0.007946 0.005074 -0.022586 0.003410 0Rh 3dxz -0.005939 0.000252 -0.004728 -0.004523 -0.011133 0.009591 0Rh 3dyz -0.027302 -0.009817 -0.002383 -0.020166 0.022956 0.042459 0Rh 3dx2y2 0.002437 -0.006380 0.004804 -0.010254 -0.020803 0.022743 0Rh 3dxy -0.000961 0.004353 -0.005396 -0.010050 0.005611 0.011523 0Rh 4dz2 0.029405 -0.009419 -0.009038 0.014357 -0.063921 0.016261 0Rh 4dxz -0.013472 0.009235 -0.010447 -0.008964 -0.042843 -0.000982 0Rh 4dyz 0.020832 -0.009566 -0.014195 -0.001248 0.023585 0.065440 0Rh 4dx2y2 0.020502 -0.011262 -0.005136 0.002085 -0.054398 0.030629 0Rh 4dxy 0.012144 -0.006720 -0.008885 -0.007645 -0.003706 0.026936 0Rh 5dz2 -0.106861 0.056051 0.042107 -0.060968 0.211078 -0.071922 0Rh 5dxz 0.066706 -0.026563 0.050789 0.039416 0.175628 -0.023696 0Rh 5dyz -0.057337 0.047497 0.068239 0.045050 -0.087992 -0.292400 0Rh 5dx2y2 -0.070635 0.013852 0.008123 0.027594 0.192418 -0.112338 0Rh 5dxy -0.045126 0.019449 0.044735 0.062304 0.004661 -0.111357 0Rh 1f0 0.023107 0.001741 0.006012 0.002756 -0.083764 0.017111 0Rh 1f+1 -0.033161 -0.000511 -0.013384 -0.030578 -0.040574 -0.003118 0Rh 1f-1 -0.000328 0.021427 0.003971 0.011999 0.016354 0.008909 0Rh 1f+2 0.031314 -0.031572 0.009453 0.025807 0.023690 -0.047454 0Rh 1f-2 -0.040450 -0.012696 -0.001944 -0.050636 0.014671 -0.042357 0Rh 1f+3 -0.010946 -0.020427 -0.006431 0.020242 -0.048034 -0.004666 0Rh 1f-3 0.014865 0.058747 -0.009175 0.013148 -0.000598 -0.019740 1Rh 1s -0.000233 -0.000014 -0.000446 -0.000154 -0.000027 -0.000855 1Rh 2s 0.000922 0.000490 0.002007 -0.000305 0.000010 0.002619 1Rh 3s -0.000803 0.000217 -0.001389 -0.001089 -0.000150 -0.003414 1Rh 4s -0.004487 -0.002419 -0.009942 0.001761 -0.000045 -0.012359 1Rh 5s 0.005313 0.005273 0.015410 -0.010204 -0.000415 0.005029 1Rh 6s 0.003674 -0.006033 -0.012032 0.035446 0.001515 0.062243 1Rh 7s -0.045080 0.190559 0.169712 -0.305694 0.000583 -0.618049 1Rh 8s 0.021345 0.284977 -0.056564 -0.212197 -0.016396 0.106456 1Rh 1pz 0.002002 -0.001940 0.003067 0.000902 0.000164 -0.002077 1Rh 1px -0.001689 0.005701 -0.004254 -0.002013 -0.000627 -0.001864 1Rh 1py 0.002188 0.006686 -0.001687 -0.000311 0.000519 0.002193 1Rh 2pz -0.006399 0.006516 -0.010367 -0.003396 -0.000202 0.006277 1Rh 2px 0.005970 -0.019207 0.014025 0.006846 0.002150 0.007371 1Rh 2py -0.007404 -0.023296 0.005629 0.001186 -0.001902 -0.007189 1Rh 3pz -0.007093 0.001042 0.000662 0.007706 -0.007796 0.015636 1Rh 3px -0.005739 -0.000216 0.007056 -0.001202 -0.000798 -0.023169 1Rh 3py 0.000679 0.016684 0.000962 -0.003196 0.003103 -0.004391 1Rh 4pz 0.065104 -0.046957 0.058786 -0.012305 0.035674 -0.101835 1Rh 4px -0.013060 0.116141 -0.115261 -0.036843 -0.008797 0.049830 1Rh 4py 0.040682 0.066512 -0.035567 0.007743 -0.000638 0.060284 1Rh 5pz -0.115866 0.101513 -0.093694 0.038697 -0.095770 0.198778 1Rh 5px 0.013672 -0.199824 0.218712 0.066868 0.004209 -0.110894 1Rh 5py -0.060246 -0.053920 0.047961 -0.027511 0.007995 -0.099417 1Rh 6pz 0.607763 -0.750649 0.258552 -0.090660 1.157921 -0.853592 1Rh 6px 0.119719 0.986352 -0.862907 -0.466608 0.296845 0.352045 1Rh 6py -0.083416 -1.023612 0.064293 0.306695 -0.301002 0.033729 1Rh 1dz2 -0.004019 -0.002588 0.005518 -0.000000 -0.016761 -0.004040 1Rh 1dxz 0.002918 0.000927 -0.000029 -0.003943 -0.009942 -0.004038 1Rh 1dyz 0.006947 -0.004985 -0.003596 -0.007031 0.011218 -0.023002 1Rh 1dx2y2 -0.003109 -0.003451 -0.003063 -0.001538 -0.013692 -0.013153 1Rh 1dxy 0.000538 0.000895 -0.000500 -0.005772 0.001646 -0.008279 1Rh 2dz2 0.002048 0.000319 -0.000791 -0.000352 0.003853 0.001136 1Rh 2dxz -0.000440 -0.000519 -0.000090 0.000628 0.002616 -0.000382 1Rh 2dyz 0.002040 0.000201 -0.000904 0.000202 -0.001029 0.003004 1Rh 2dx2y2 0.000973 0.000501 -0.000733 0.000001 0.003039 0.001762 1Rh 2dxy 0.000592 0.000477 -0.000203 0.000415 0.000286 0.001563 1Rh 3dz2 0.000560 0.004684 -0.009620 0.001519 0.023199 0.004571 1Rh 3dxz -0.004960 0.000098 0.000312 0.006542 0.012316 0.011080 1Rh 3dyz -0.025220 0.010791 0.012382 0.015624 -0.022238 0.041316 1Rh 3dx2y2 0.003187 0.005950 0.010473 0.003589 0.019461 0.023667 1Rh 3dxy -0.003859 -0.004221 0.002122 0.011754 -0.005150 0.012807 1Rh 4dz2 0.032891 0.007242 -0.015302 -0.004963 0.065038 0.019939 1Rh 4dxz -0.008733 -0.008636 0.000796 0.012748 0.044692 0.000336 1Rh 4dyz 0.023147 0.008085 -0.008923 0.010430 -0.022329 0.063374 1Rh 4dx2y2 0.014793 0.009880 -0.008491 0.002250 0.051772 0.034098 1Rh 4dxy 0.008167 0.005978 -0.003124 0.012466 0.002452 0.029025 1Rh 5dz2 -0.122268 -0.047581 0.067713 0.018723 -0.214171 -0.084832 1Rh 5dxz 0.045560 0.023353 0.000504 -0.059171 -0.180917 -0.027803 1Rh 5dyz -0.069288 -0.042826 0.016130 -0.077568 0.082892 -0.285169 1Rh 5dx2y2 -0.045817 -0.009509 0.000301 -0.027359 -0.186176 -0.124499 1Rh 5dxy -0.027863 -0.016759 -0.002295 -0.080251 -0.001105 -0.120785 1Rh 1f0 -0.025055 0.002852 -0.002797 0.006881 -0.079891 -0.016053 1Rh 1f+1 0.029278 -0.001825 -0.012433 -0.031416 -0.043494 0.005577 1Rh 1f-1 0.004286 0.021236 0.006149 0.010500 0.015710 -0.008208 1Rh 1f+2 -0.028322 -0.030732 0.012510 0.023330 0.019590 0.050676 1Rh 1f-2 0.043774 -0.014881 -0.031344 -0.039584 0.013070 0.039628 1Rh 1f+3 0.008705 -0.020783 0.017694 0.009558 -0.053495 0.004371 1Rh 1f-3 -0.007851 0.059162 0.016598 0.001660 -0.004374 0.015641 2C 1s -0.010183 0.011722 -0.004337 0.006674 0.001522 -0.008032 2C 2s -0.030916 0.035077 -0.013437 0.020419 0.004500 -0.022452 2C 3s 0.309634 -0.388968 0.170798 -0.202511 -0.033391 0.246445 2C 4s -0.597211 0.933064 -0.519600 0.389436 0.017690 -0.425062 2C 5s 2.675007 -2.907380 0.705482 -1.840358 -0.081965 3.381180 2C 1pz -0.000562 0.092337 -0.014637 0.058277 0.098355 -0.134400 2C 1px 0.503933 -0.134033 0.064098 -0.516331 -0.180231 0.098815 2C 1py -0.200854 0.098613 -0.042181 0.165557 -0.120932 -0.110180 2C 2pz 0.133610 -0.399322 -0.050255 -0.276271 -0.356320 0.723344 2C 2px -1.692636 0.510382 -0.227505 1.801323 0.627049 -0.342635 2C 2py 0.734349 -0.386819 0.102093 -0.584113 0.372355 0.567510 2C 3pz 0.533906 -0.445881 0.113824 -0.312382 0.047868 0.533347 2C 3px 0.916094 -0.252044 0.155493 -0.929085 -0.297905 0.185951 2C 3py 0.020922 -0.235082 -0.028076 0.045752 -0.064845 0.337800 2C 1dz2 0.003846 -0.006279 0.008509 -0.006698 -0.004322 -0.001363 2C 1dxz 0.038181 -0.017213 0.009481 -0.042396 -0.005286 0.005440 2C 1dyz -0.017461 0.008385 -0.008110 0.017496 0.017221 -0.005100 2C 1dx2y2 -0.013184 0.002938 0.001035 0.018901 0.015207 0.001514 2C 1dxy -0.003821 -0.002600 0.000082 0.001217 -0.018277 0.000390 2C 2dz2 0.066752 -0.094472 -0.022117 -0.077864 0.072963 0.183797 2C 2dxz 0.590999 -0.203083 0.073305 -0.525069 -0.055272 0.272420 2C 2dyz -0.267779 -0.035587 -0.036444 0.254691 0.101254 0.166880 2C 2dx2y2 -0.281977 0.169923 -0.042150 0.337528 0.259990 -0.205791 2C 2dxy -0.130395 0.006937 -0.008486 0.104694 -0.188639 0.029081 2C 1f0 -0.016241 0.006784 0.001331 0.017316 0.026232 -0.018376 2C 1f+1 -0.024506 0.008687 0.002313 0.023436 -0.013738 -0.018871 2C 1f-1 0.001284 0.014594 -0.007889 -0.012883 -0.014457 -0.019550 2C 1f+2 0.056188 -0.047046 0.022442 -0.050295 -0.022718 0.045515 2C 1f-2 0.022254 0.018236 -0.003396 -0.023266 -0.002448 -0.019115 2C 1f+3 0.028342 -0.021564 0.005539 -0.021697 0.014966 0.026853 2C 1f-3 -0.050181 0.019299 -0.011169 0.049690 0.022661 -0.016459 3C 1s 0.002998 -0.013395 -0.010113 0.010862 0.001221 0.004111 3C 2s 0.009543 -0.039147 -0.030946 0.033488 0.003320 0.012969 3C 3s -0.079174 0.442512 0.346538 -0.354768 -0.033139 -0.169129 3C 4s 0.069213 -1.014194 -0.839438 0.806764 0.066581 0.334906 3C 5s -1.099623 3.849415 2.411089 -2.535738 -0.292279 -2.719710 3C 1pz 0.213212 -0.468194 -0.362331 0.341976 0.143334 0.163498 3C 1px -0.161751 0.246892 0.168527 -0.175415 0.083482 -0.030493 3C 1py 0.094155 0.045352 -0.071883 0.068872 0.163337 -0.024455 3C 2pz -0.752702 1.675913 1.245527 -1.178858 -0.495311 -0.640689 3C 2px 0.556451 -0.809197 -0.618681 0.533731 -0.301630 0.129597 3C 2py -0.242128 -0.302268 0.251388 -0.199165 -0.504401 0.129992 3C 3pz 0.208347 -0.208736 -0.339708 0.298357 0.217522 -0.141743 3C 3px -0.341790 0.627122 0.443855 -0.423608 -0.001697 -0.196302 3C 3py 0.370561 -0.783139 -0.608317 0.611244 0.208447 0.578256 3C 1dz2 -0.001139 0.002328 -0.004756 0.002204 -0.013218 0.004992 3C 1dxz -0.009825 0.019053 0.009181 -0.007822 0.017125 -0.005957 3C 1dyz -0.014260 0.022723 0.028364 -0.023013 -0.011118 -0.006781 3C 1dx2y2 0.008220 -0.018885 -0.022497 0.024641 0.009687 0.009488 3C 1dxy 0.009772 -0.015754 -0.014856 0.009209 0.010044 0.010387 3C 2dz2 -0.048507 0.015112 0.083638 -0.051188 -0.095697 -0.036758 3C 2dxz -0.116620 0.362894 0.185999 -0.200552 0.214422 -0.112597 3C 2dyz -0.300993 0.281046 0.336908 -0.347201 -0.145415 -0.109878 3C 2dx2y2 0.165338 -0.471596 -0.288838 0.254948 0.187972 0.182824 3C 2dxy 0.077549 -0.324110 -0.177512 0.222132 0.075973 0.121020 3C 1f0 0.020016 -0.033357 -0.028171 0.031186 0.028808 0.018735 3C 1f+1 0.022427 -0.046443 -0.041140 0.040405 -0.004225 0.024685 3C 1f-1 -0.013884 0.004652 0.025965 -0.023614 -0.017878 -0.006267 3C 1f+2 0.003836 0.047334 0.021550 -0.020955 -0.001018 -0.018980 3C 1f-2 -0.007932 0.053946 0.037659 -0.030055 0.005382 -0.025203 3C 1f+3 0.004529 -0.017713 -0.014551 0.006155 0.027586 0.011216 3C 1f-3 -0.023999 0.048402 0.026741 -0.032398 0.003263 -0.019551 4C 1s -0.005236 -0.009464 0.003094 0.004144 0.002916 0.012107 4C 2s -0.014504 -0.031107 0.010655 0.011588 0.007805 0.040027 4C 3s 0.047102 0.428957 -0.150907 -0.087998 -0.039360 -0.610424 4C 4s -0.021408 -1.222428 0.432263 0.453020 -0.004581 1.908187 4C 5s -1.158026 0.985257 -0.617230 1.448385 0.456561 -0.250678 4C 1pz 0.069134 -0.107178 0.023206 -0.003383 -0.021667 0.045808 4C 1px -0.027097 -0.027352 0.003559 0.035055 -0.003925 0.004225 4C 1py 0.164128 0.066587 0.010543 -0.123752 -0.018109 0.049624 4C 2pz -0.169843 -0.159243 -0.085374 -0.133483 0.003397 0.636447 4C 2px 0.216586 0.101447 0.202594 0.363146 -0.075101 -0.010906 4C 2py -0.268351 -0.199811 -0.053873 0.317053 0.033510 0.339148 4C 3pz 1.629470 -1.386051 0.173654 -0.859887 -0.002753 2.101147 4C 3px 0.305762 -0.362912 0.016548 -0.122640 -0.080170 0.498789 4C 3py 1.224578 -0.872668 0.108345 -0.714429 -0.049563 1.444067 4C 1dz2 -0.000652 0.012542 -0.015917 -0.001234 0.010724 -0.000318 4C 1dxz -0.010285 0.014511 -0.013843 0.006384 0.018305 -0.007816 4C 1dyz 0.003335 -0.015556 0.006739 -0.007545 0.003671 0.004680 4C 1dx2y2 -0.004019 0.007914 -0.011178 0.006870 0.011308 0.009671 4C 1dxy -0.003051 -0.002037 0.005167 0.001504 -0.011286 0.006353 4C 2dz2 -0.116428 0.132485 -0.051349 -0.088295 0.080045 -0.345328 4C 2dxz -0.249503 0.348608 0.066261 0.419960 -0.034972 -0.468577 4C 2dyz -0.006649 0.029210 0.083222 -0.049010 -0.113922 -0.186899 4C 2dx2y2 0.216926 -0.220791 -0.034352 -0.090266 -0.109678 0.601449 4C 2dxy 0.070822 0.035589 0.037016 0.163666 0.171975 0.158726 4C 1f0 -0.008120 0.005002 0.008430 0.009371 -0.015429 -0.013313 4C 1f+1 0.007898 0.004624 0.000171 -0.014381 0.001461 -0.027886 4C 1f-1 -0.003919 -0.003758 -0.005038 -0.003793 0.014116 0.010843 4C 1f+2 0.005626 -0.022129 0.004078 -0.015819 0.000007 0.021353 4C 1f-2 0.013714 -0.007862 0.001081 -0.008941 -0.005609 0.007328 4C 1f+3 0.001699 -0.015007 0.002187 -0.018769 -0.021544 0.009584 4C 1f-3 -0.009261 0.017913 -0.014949 -0.008675 0.009185 -0.021179 5C 1s 0.006416 0.011250 0.000934 0.000138 0.003082 -0.008899 5C 2s 0.019853 0.037770 0.004822 -0.000983 0.008154 -0.028166 5C 3s -0.181656 -0.534769 -0.157080 0.094137 -0.011367 0.442728 5C 4s 0.476875 1.415550 0.456705 -0.216638 -0.189191 -1.130390 5C 5s 0.253841 -1.747748 -1.312724 1.324314 0.537192 0.127077 5C 1pz -0.097393 0.211699 0.127682 -0.079117 -0.032002 -0.021104 5C 1px -0.029421 0.046326 0.037337 -0.058490 -0.001310 -0.019369 5C 1py 0.020588 0.027699 -0.029642 0.018354 -0.033092 -0.021945 5C 2pz 0.188832 -0.014608 -0.173622 0.246208 -0.001160 -0.058817 5C 2px 0.253308 -0.056028 -0.310388 -0.142521 0.045021 -0.177406 5C 2py -0.152787 -0.496384 -0.071863 -0.028677 0.097403 0.278101 5C 3pz -0.645218 1.187361 0.817348 -0.798939 -0.117070 -1.219373 5C 3px -0.409150 0.866687 0.432066 -0.485278 0.056892 -0.919538 5C 3py 0.933644 -1.752348 -1.193123 1.151304 0.056745 1.994764 5C 1dz2 0.000877 -0.009299 0.012809 -0.010692 0.001193 0.000579 5C 1dxz -0.000562 -0.006017 0.005375 -0.006133 0.018342 -0.002129 5C 1dyz -0.000618 -0.009155 -0.013662 0.013159 -0.009438 0.016819 5C 1dx2y2 0.006001 -0.007748 0.011276 -0.007624 -0.005913 0.006090 5C 1dxy 0.000214 -0.001460 0.006074 -0.001357 0.002779 0.004482 5C 2dz2 0.012450 -0.128499 0.020413 0.073334 0.102181 0.184422 5C 2dxz 0.117624 -0.376721 -0.173783 0.039621 -0.152425 0.314192 5C 2dyz 0.096597 -0.060537 -0.193115 0.031355 0.070016 0.124870 5C 2dx2y2 -0.028172 0.404627 0.107057 -0.283158 -0.001605 -0.414461 5C 2dxy -0.173064 0.330059 0.214484 0.053919 -0.145683 -0.159592 5C 1f0 -0.001460 -0.024493 -0.014221 -0.003267 -0.019586 0.007737 5C 1f+1 -0.006470 -0.010184 -0.008664 0.011094 0.004595 0.015844 5C 1f-1 0.001232 0.001633 0.009648 -0.009584 0.007082 -0.007775 5C 1f+2 -0.004875 -0.006461 0.013866 0.000223 0.000892 -0.002652 5C 1f-2 -0.001069 0.007135 0.010433 0.001683 -0.018542 -0.004483 5C 1f+3 -0.010967 -0.001932 0.006916 0.008746 -0.003788 0.020163 5C 1f-3 -0.002442 0.035589 0.009675 -0.002641 -0.014593 -0.021498 6C 1s 0.004682 -0.011289 0.000130 -0.000606 -0.003411 -0.008666 6C 2s 0.014106 -0.037852 0.002667 -0.002172 -0.009337 -0.027555 6C 3s -0.093553 0.532760 -0.154717 0.032019 0.028865 0.442181 6C 4s 0.188422 -1.411677 0.390054 -0.137206 0.106667 -1.143196 6C 5s 0.412961 1.713514 -1.844518 -0.079097 -0.556781 0.166984 6C 1pz 0.102141 0.203818 -0.148763 0.030978 -0.030915 0.018478 6C 1px 0.033384 0.043863 -0.066140 -0.016044 0.000384 0.017889 6C 1py -0.028683 0.027178 0.030509 -0.006474 -0.038141 0.020373 6C 2pz -0.151033 -0.004667 0.308380 0.063528 0.024346 0.062215 6C 2px -0.262188 -0.037459 0.125983 -0.327804 0.058591 0.177988 6C 2py 0.091925 -0.493288 0.016948 -0.075388 0.062010 -0.275655 6C 3pz 0.765721 1.141965 -1.119587 -0.035586 -0.109278 1.236629 6C 3px 0.481831 0.835865 -0.640555 -0.068323 0.048954 0.933058 6C 3py -1.147558 -1.691069 1.614229 0.047052 0.039649 -2.018377 6C 1dz2 0.000891 0.009495 0.016310 -0.001016 -0.000636 0.000862 6C 1dxz -0.000247 0.006270 0.008122 0.000699 -0.017936 -0.002249 6C 1dyz 0.001100 0.008830 -0.018523 -0.000518 0.008942 0.016790 6C 1dx2y2 0.004443 0.007773 0.012163 -0.002392 0.004645 0.005193 6C 1dxy -0.000569 0.001398 0.005013 -0.003333 -0.003866 0.003497 6C 2dz2 0.025982 0.128101 -0.032565 -0.069761 -0.093673 0.178322 6C 2dxz 0.159062 0.367718 -0.147914 0.091255 0.164131 0.327946 6C 2dyz 0.103448 0.053291 -0.162868 0.105984 -0.087552 0.132398 6C 2dx2y2 -0.080100 -0.398724 0.256032 0.134583 -0.029255 -0.411086 6C 2dxy -0.210778 -0.316909 0.114835 -0.189262 0.136034 -0.155839 6C 1f0 -0.001979 -0.024155 0.007369 -0.012353 -0.020616 -0.007822 6C 1f+1 0.003741 -0.010200 0.012992 0.002585 0.003787 -0.015283 6C 1f-1 -0.000489 0.001555 -0.013357 -0.000496 0.006894 0.008571 6C 1f+2 0.005256 -0.006526 -0.009845 0.009650 -0.000128 0.004295 6C 1f-2 0.003891 0.006656 -0.005255 0.008299 -0.018320 0.004634 6C 1f+3 0.009461 -0.002268 0.000206 0.011479 -0.003968 -0.021109 6C 1f-3 0.006772 0.035280 -0.008321 0.004204 -0.013914 0.021916 7C 1s -0.006030 0.009433 -0.001305 -0.005071 -0.003059 0.011652 7C 2s -0.017070 0.030917 -0.002533 -0.015529 -0.008401 0.038516 7C 3s 0.071578 -0.421281 -0.022445 0.166423 0.047411 -0.589273 7C 4s -0.063059 1.197978 -0.064402 -0.636528 -0.050230 1.833997 7C 5s -1.095845 -0.921847 -1.388103 -0.670869 -0.460111 -0.245542 7C 1pz -0.084140 -0.103825 -0.021622 0.012573 -0.015935 -0.045049 7C 1px 0.021344 -0.028884 0.019514 0.028176 -0.004455 -0.005545 7C 1py -0.138825 0.074824 -0.082728 -0.083996 -0.013925 -0.044940 7C 2pz 0.203659 -0.164488 -0.006014 -0.144825 0.016909 -0.626795 7C 2px -0.193207 0.118982 0.113899 0.408234 -0.052361 0.028554 7C 2py 0.242956 -0.208912 0.254538 0.201149 0.049028 -0.341621 7C 3pz -1.582857 -1.304592 -0.661309 -0.546856 -0.041253 -2.056656 7C 3px -0.315988 -0.344512 -0.087638 -0.078304 -0.065929 -0.489609 7C 3py -1.177182 -0.817266 -0.527091 -0.471560 -0.069407 -1.424168 7C 1dz2 -0.001876 -0.012658 -0.010693 0.012466 -0.009907 0.001036 7C 1dxz -0.010675 -0.014158 -0.014116 0.004988 -0.017422 -0.007332 7C 1dyz 0.003371 0.015371 0.009616 0.001085 -0.002617 0.003914 7C 1dx2y2 -0.004321 -0.007923 -0.012914 0.002673 -0.012152 0.009749 7C 1dxy -0.003468 0.002108 0.002427 -0.004784 0.010940 0.006429 7C 2dz2 -0.100177 -0.123670 0.038061 0.105077 -0.067532 -0.334836 7C 2dxz -0.255349 -0.337785 -0.231979 -0.352811 0.039249 -0.461808 7C 2dyz -0.000025 -0.027359 0.099985 -0.018530 0.130893 -0.181738 7C 2dx2y2 0.204033 0.208773 0.022672 0.089351 0.102430 0.600754 7C 2dxy 0.055991 -0.043525 -0.092711 -0.146488 -0.174845 0.140445 7C 1f0 0.007798 0.004562 0.000110 0.013130 -0.015573 0.013462 7C 1f+1 -0.009206 0.004445 -0.010848 -0.010656 0.001340 0.028065 7C 1f-1 0.005049 -0.003866 0.001772 -0.006272 0.014819 -0.010141 7C 1f+2 -0.006223 -0.021726 -0.013398 -0.008836 -0.000479 -0.020445 7C 1f-2 -0.013135 -0.007123 -0.006458 -0.006151 -0.005148 -0.007965 7C 1f+3 -0.002475 -0.015269 -0.014438 -0.012500 -0.022142 -0.010169 7C 1f-3 0.009093 0.017201 0.004079 -0.016884 0.008388 0.019297 8C 1s 0.004923 0.013117 -0.014303 -0.001065 -0.001055 0.004402 8C 2s 0.015224 0.038313 -0.043991 -0.003467 -0.003060 0.013876 8C 3s -0.143282 -0.433417 0.479278 0.025652 0.033437 -0.177754 8C 4s 0.224437 0.995269 -1.125069 -0.028817 -0.081787 0.352283 8C 5s -1.570254 -3.751412 3.395075 0.235251 0.254454 -2.772483 8C 1pz -0.240892 -0.449872 0.496058 0.004677 0.149216 -0.164786 8C 1px 0.169695 0.247413 -0.257173 -0.012835 0.074734 0.049690 8C 1py -0.083959 0.054425 0.096247 0.001886 0.169677 0.026985 8C 2pz 0.859186 1.611875 -1.703337 -0.014963 -0.501493 0.646974 8C 2px -0.581948 -0.809619 0.866314 -0.030962 -0.260497 -0.197361 8C 2py 0.191732 -0.329503 -0.312689 0.019460 -0.548227 -0.141881 8C 3pz -0.186325 -0.191649 0.461459 -0.015682 0.234014 0.137316 8C 3px 0.381274 0.620194 -0.630644 -0.008750 -0.010045 0.222186 8C 3py -0.445883 -0.747284 0.840692 0.038140 0.210012 -0.584505 8C 1dz2 -0.001074 -0.002618 -0.004625 0.001728 0.013091 0.005310 8C 1dxz -0.010231 -0.018811 0.012767 -0.000397 -0.016227 -0.007839 8C 1dyz -0.015872 -0.021793 0.036305 -0.002590 0.011387 -0.007913 8C 1dx2y2 0.009435 0.017853 -0.032857 -0.002798 -0.010611 0.009242 8C 1dxy 0.010538 0.015365 -0.017759 0.003131 -0.011212 0.010393 8C 2dz2 -0.050773 -0.014582 0.098840 -0.018556 0.099948 -0.035974 8C 2dxz -0.137239 -0.359744 0.276520 0.018803 -0.218300 -0.133514 8C 2dyz -0.303753 -0.266300 0.490900 0.027443 0.166940 -0.121455 8C 2dx2y2 0.199477 0.453994 -0.377697 0.010559 -0.179335 0.178047 8C 2dxy 0.107248 0.321529 -0.283140 -0.041130 -0.068609 0.120541 8C 1f0 -0.022145 -0.032334 0.042105 0.003814 0.029417 -0.018882 8C 1f+1 -0.025421 -0.044069 0.057001 0.001545 -0.003644 -0.026213 8C 1f-1 0.013891 0.003771 -0.035090 0.000346 -0.018900 0.005999 8C 1f+2 0.002745 0.046709 -0.028706 -0.000902 0.000332 0.018370 8C 1f-2 0.014233 0.052911 -0.046542 0.003522 0.006320 0.026106 8C 1f+3 -0.007073 -0.016726 0.013890 -0.005203 0.026961 -0.009542 8C 1f-3 0.026068 0.048037 -0.043001 -0.005609 0.002644 0.021911 9C 1s -0.010046 -0.011109 -0.007244 -0.001976 -0.001144 -0.007820 9C 2s -0.030618 -0.033228 -0.022381 -0.005941 -0.003513 -0.021839 9C 3s 0.303941 0.369519 0.247435 0.034795 0.026194 0.238805 9C 4s -0.579949 -0.891806 -0.608757 0.057668 -0.010804 -0.405476 9C 5s 2.565788 2.764006 1.646888 0.912814 0.087517 3.318855 9C 1pz 0.010308 0.094209 0.054238 0.040545 0.100358 0.142047 9C 1px -0.506759 -0.113872 -0.401313 -0.345248 -0.181991 -0.102912 9C 1py 0.169001 0.083408 0.123241 0.084684 -0.127997 0.094716 9C 2pz -0.164517 -0.400122 -0.159388 -0.258105 -0.346177 -0.751109 9C 2px 1.707563 0.443720 1.403808 1.202016 0.635909 0.358815 9C 2py -0.626458 -0.333185 -0.400049 -0.328145 0.406734 -0.511184 9C 3pz -0.485259 -0.414253 -0.259257 -0.149676 0.047735 -0.509427 9C 3px -0.912484 -0.213683 -0.747736 -0.594919 -0.308675 -0.187150 9C 3py -0.059613 -0.238944 0.034034 -0.007900 -0.076378 -0.347881 9C 1dz2 0.002683 0.006048 0.010000 -0.001232 0.005017 -0.002219 9C 1dxz 0.038242 0.015626 0.035729 0.025305 0.005733 0.004855 9C 1dyz -0.017289 -0.007563 -0.017368 -0.007120 -0.016696 -0.004883 9C 1dx2y2 -0.013534 -0.002534 -0.012475 -0.015305 -0.016248 -0.000081 9C 1dxy -0.002663 0.002944 -0.000326 -0.000915 0.018154 0.001695 9C 2dz2 0.048091 0.085833 0.022912 0.065705 -0.083570 0.175238 9C 2dxz 0.574754 0.175556 0.402972 0.344444 0.052393 0.265517 9C 2dyz -0.269684 0.046162 -0.205772 -0.165914 -0.117494 0.162938 9C 2dx2y2 -0.285963 -0.160302 -0.259417 -0.224690 -0.266409 -0.217997 9C 2dxy -0.118356 0.000491 -0.074288 -0.070547 0.183341 0.042829 9C 1f0 0.016988 0.006288 0.011451 0.015035 0.026757 0.020906 9C 1f+1 0.023539 0.007582 0.014022 0.019549 -0.013277 0.018538 9C 1f-1 -0.002503 0.013689 -0.004369 -0.014560 -0.015752 0.017787 9C 1f+2 -0.054043 -0.044618 -0.048203 -0.021644 -0.021924 -0.044984 9C 1f-2 -0.023355 0.018326 -0.015056 -0.019914 -0.003636 0.018336 9C 1f+3 -0.027270 -0.019740 -0.018029 -0.012911 0.015209 -0.025085 9C 1f-3 0.049571 0.016393 0.041385 0.029208 0.023592 0.015120 10H 1s -0.120947 0.068201 -0.023802 0.138199 0.059827 -0.069639 10H 2s 1.581900 -0.794146 0.277396 -1.616343 -0.622305 0.799051 10H 3s -1.192090 0.622879 -0.247970 1.214855 0.413093 -0.563727 10H 1pz -0.041389 -0.014100 -0.016587 0.020440 0.025279 0.052230 10H 1px -0.312208 0.135371 -0.055035 0.307532 0.115633 -0.121235 10H 1py -0.005496 -0.000920 0.008239 0.021641 0.002773 0.011286 11H 1s 0.096492 -0.008356 0.014211 -0.100426 0.002679 -0.002767 11H 2s -1.143909 0.113347 -0.092522 1.085879 -0.077256 -0.037586 11H 3s 0.683062 0.089375 0.081572 -0.706948 -0.095877 -0.229312 11H 1pz 0.028609 -0.041495 0.023279 -0.031127 -0.023194 0.042816 11H 1px -0.156803 0.006176 0.006972 0.152500 0.007325 -0.011517 11H 1py 0.177084 -0.053772 0.070940 -0.166509 -0.046516 0.022990 12H 1s -0.000741 0.015300 -0.005075 -0.015394 -0.074666 -0.029134 12H 2s 0.028690 -0.155566 0.069802 0.172140 0.699264 0.221205 12H 3s -0.120051 0.290111 -0.116024 -0.035029 -0.362666 -0.326524 12H 1pz -0.038415 0.021857 -0.053659 -0.001334 -0.028140 0.025522 12H 1px -0.105301 0.023879 -0.035611 0.125585 0.081297 0.003475 12H 1py 0.053332 -0.049916 0.021084 -0.032874 0.041083 0.055470 13H 1s 0.054786 -0.147874 -0.100202 0.091438 -0.009562 0.065198 13H 2s -0.711078 1.743444 1.187492 -1.131071 0.070690 -0.614012 13H 3s 0.524112 -1.261900 -0.928232 0.894945 0.084471 0.431534 13H 1pz -0.067075 0.175449 0.124180 -0.119475 -0.009317 -0.059741 13H 1px 0.126226 -0.269101 -0.182578 0.175710 -0.011952 0.071534 13H 1py -0.060645 0.044310 0.077606 -0.067613 0.002621 -0.008536 14H 1s -0.004330 -0.033900 -0.023802 0.021169 0.068663 0.022700 14H 2s 0.016903 0.283723 0.263452 -0.241492 -0.644519 -0.205008 14H 3s 0.010114 -0.335775 -0.306724 0.338627 0.355691 0.280044 14H 1pz -0.039923 0.115419 0.097586 -0.076345 -0.021560 -0.025199 14H 1px 0.032063 -0.008452 -0.019422 0.011738 -0.064769 -0.030622 14H 1py -0.023347 0.008969 0.099742 -0.074861 -0.054928 -0.016355 15H 1s -0.058658 0.056701 0.085458 -0.078063 -0.064044 -0.028574 15H 2s 0.700313 -0.800336 -0.867204 0.828892 0.628096 0.319037 15H 3s -0.429451 0.343170 0.525744 -0.454080 -0.368767 -0.038584 15H 1pz -0.120103 0.183599 0.209536 -0.176658 -0.066626 -0.049958 15H 1px 0.042593 -0.039545 0.014925 -0.003913 0.020955 -0.001090 15H 1py -0.026695 -0.030497 -0.010039 -0.000811 -0.031408 -0.005790 16H 1s -0.107733 -0.050313 -0.063021 -0.111696 0.085653 0.107497 16H 2s 0.657114 0.450121 0.406393 0.673942 -0.571306 -0.791269 16H 3s -0.195171 -0.084104 -0.136938 -0.263669 0.153012 0.281177 16H 1pz 0.066293 0.031399 0.040922 0.062527 -0.036082 -0.058822 16H 1px -0.001513 0.062538 -0.022552 -0.053719 -0.047434 0.012429 16H 1py 0.089366 0.020836 0.035022 0.107962 -0.093492 -0.075928 17H 1s 0.075741 0.025055 0.010959 0.187544 -0.053836 -0.261517 17H 2s -0.537329 -0.036108 -0.061007 -1.187173 0.421791 1.633867 17H 3s 0.155989 0.038977 0.000081 0.329390 -0.128267 -0.360309 17H 1pz 0.013743 -0.001299 -0.005470 0.056734 -0.051660 -0.112606 17H 1px 0.040751 0.036518 -0.005016 0.070334 0.037452 -0.076964 17H 1py -0.063296 -0.027191 -0.032097 -0.149041 0.074635 0.164471 18H 1s 0.062159 -0.028868 -0.124887 -0.139510 0.063880 -0.265315 18H 2s -0.438720 0.065145 0.806904 0.875288 -0.474278 1.662260 18H 3s 0.133950 -0.048243 -0.233765 -0.234864 0.129416 -0.369957 18H 1pz -0.013440 0.003258 0.044215 0.036905 -0.060686 0.121933 18H 1px -0.023647 0.036743 0.058822 0.046810 0.036659 0.074988 18H 1py 0.064994 -0.029198 -0.076157 -0.129054 0.080316 -0.165632 19H 1s -0.105921 0.056291 0.031717 0.126419 -0.072118 0.112073 19H 2s 0.671754 -0.485469 -0.155714 -0.784773 0.491838 -0.817625 19H 3s -0.189245 0.097037 0.082111 0.286014 -0.145053 0.292303 19H 1pz -0.061396 0.035754 0.012709 0.071204 -0.026214 0.060497 19H 1px 0.009371 0.064180 -0.019856 -0.056743 -0.042044 -0.016308 19H 1py -0.085526 0.025867 0.052374 0.105056 -0.086694 0.079327 20H 1s -0.059317 -0.052730 0.115903 -0.001108 0.068220 -0.029470 20H 2s 0.718157 0.752758 -1.205709 -0.018642 -0.661925 0.323711 20H 3s -0.408580 -0.314453 0.706739 -0.025497 0.396055 -0.042683 20H 1pz 0.128394 0.173648 -0.273601 0.013721 -0.069924 0.050023 20H 1px -0.038331 -0.040006 -0.007785 0.007698 0.023976 -0.000606 20H 1py 0.020670 -0.031754 0.006224 -0.008086 -0.034574 0.006364 21H 1s 0.000509 0.031402 -0.028513 0.000326 -0.066916 0.016863 21H 2s -0.031336 -0.254679 0.319619 0.000253 0.628558 -0.153934 21H 3s 0.068061 0.313680 -0.423147 -0.040800 -0.345541 0.258572 21H 1pz 0.050017 0.111823 -0.121851 0.010629 -0.020789 0.025217 21H 1px -0.028313 -0.011287 0.028503 -0.005564 -0.061789 0.024335 21H 1py 0.029091 0.003136 -0.118229 0.013202 -0.055706 0.011699 22H 1s 0.064852 0.144666 -0.136685 0.001058 0.007074 0.070519 22H 2s -0.830193 -1.707641 1.651567 0.020162 -0.056477 -0.666965 22H 3s 0.615213 1.234404 -1.294495 -0.024044 -0.095622 0.470664 22H 1pz 0.078147 0.168383 -0.170920 -0.002761 -0.009231 0.061760 22H 1px -0.143594 -0.265357 0.257827 0.004432 -0.008440 -0.080511 22H 1py 0.058907 0.038979 -0.102534 0.003224 -0.001786 0.009723 23H 1s 0.006573 -0.013610 0.011620 0.016825 0.076666 -0.022243 23H 2s -0.048840 0.133679 -0.117069 -0.200628 -0.726189 0.158832 23H 3s -0.062258 -0.273169 -0.019190 0.124247 0.379190 -0.289796 23H 1pz 0.025815 0.018427 0.030537 -0.042181 -0.029353 -0.036805 23H 1px 0.107227 0.021505 0.113534 0.069858 0.083271 -0.001527 23H 1py -0.041330 -0.044976 -0.029310 -0.006501 0.045037 -0.049979 24H 1s 0.093905 0.003705 0.077420 0.063849 -0.002730 -0.006371 24H 2s -1.100654 -0.058605 -0.791690 -0.735650 0.072411 -0.008695 24H 3s 0.656662 -0.119811 0.534897 0.463807 0.101953 -0.242489 24H 1pz -0.030079 -0.039937 -0.037376 -0.008124 -0.020285 -0.040660 24H 1px 0.159500 -0.000811 0.101701 0.119484 0.008137 0.010206 24H 1py -0.162012 -0.045084 -0.156842 -0.070533 -0.045120 -0.014055 25H 1s -0.119708 -0.062938 -0.110021 -0.087975 -0.060402 -0.070885 25H 2s 1.574913 0.725800 1.290061 1.028863 0.622434 0.811446 25H 3s -1.187113 -0.570673 -0.998527 -0.745496 -0.416598 -0.569893 25H 1pz 0.039960 -0.016940 0.024586 0.001998 0.024188 -0.055369 25H 1px 0.312213 0.121734 0.248040 0.193623 0.115668 0.121818 25H 1py 0.015660 0.001147 0.015118 0.026071 0.005494 -0.006219 26O 1s 0.003450 -0.000257 0.000473 0.000552 0.000498 -0.000678 26O 2s 0.009762 0.000205 0.000823 0.000390 0.000840 -0.004034 26O 3s -0.029168 -0.023921 0.008983 0.025497 0.006229 0.066754 26O 4s -0.038043 0.139395 -0.044061 -0.146536 -0.088984 -0.312239 26O 5s -0.692278 0.264086 -0.221215 -0.355630 0.400932 -1.279445 26O 1pz 0.021402 -0.034910 0.001607 -0.053513 0.004491 0.041804 26O 1px 0.012103 0.028432 0.010393 0.017723 -0.001834 0.003875 26O 1py 0.028891 -0.006643 -0.002861 -0.030512 -0.034655 0.025112 26O 2pz 0.079101 -0.048246 0.013467 -0.050633 -0.024709 0.083643 26O 2px 0.046722 -0.035466 0.062837 0.103687 -0.018560 0.207788 26O 2py 0.063348 -0.019270 0.019187 0.014036 -0.026256 0.122737 26O 3pz -0.190398 -0.129612 -0.120634 0.247110 0.190072 0.125290 26O 3px 0.129042 -0.519776 0.014395 0.416872 0.070819 0.692665 26O 3py -0.081382 -0.255868 -0.024490 0.236781 0.098170 0.404726 26O 1dz2 0.000829 -0.000610 -0.000075 -0.003315 0.000940 -0.001427 26O 1dxz 0.004640 -0.003219 0.000880 -0.002132 -0.001005 0.004837 26O 1dyz 0.003531 -0.002084 0.001434 -0.003300 -0.001888 0.000843 26O 1dx2y2 -0.002383 -0.000086 0.001150 0.004086 0.000873 -0.000050 26O 1dxy 0.003037 0.000778 0.000106 0.000489 -0.000761 0.002958 26O 2dz2 0.092317 -0.101496 0.120028 0.023307 -0.018496 0.003174 26O 2dxz 0.036946 -0.059928 0.041001 -0.065353 -0.145041 -0.061044 26O 2dyz 0.008073 -0.009405 -0.004886 0.017645 -0.034604 0.034108 26O 2dx2y2 -0.042500 -0.054363 0.066263 -0.009379 -0.118668 -0.027372 26O 2dxy -0.006543 0.026528 -0.049642 -0.044680 0.162058 -0.057333 26O 1f0 0.002479 -0.000141 0.001264 -0.000961 -0.004075 -0.001373 26O 1f+1 0.000752 0.000364 -0.000814 -0.003093 -0.003062 -0.004000 26O 1f-1 0.002045 0.000539 -0.000697 -0.000767 -0.000564 -0.002171 26O 1f+2 -0.000732 -0.001259 0.000263 -0.000045 -0.002271 0.001324 26O 1f-2 -0.001115 -0.000509 -0.000422 0.000905 0.001748 -0.000279 26O 1f+3 0.002417 0.000873 -0.000132 -0.003849 -0.000062 -0.001030 26O 1f-3 0.000449 0.002241 -0.002753 -0.002406 0.003234 -0.005470 27O 1s -0.001540 0.000814 0.000467 -0.004425 0.001844 0.000323 27O 2s -0.004499 0.000505 0.001959 -0.010813 0.004288 0.001386 27O 3s 0.023036 0.041292 -0.016452 -0.000636 -0.000095 -0.030244 27O 4s -0.015558 -0.276812 0.061091 0.289395 -0.140791 0.130880 27O 5s -0.134961 -0.437879 -0.232484 0.044701 0.441812 1.548920 27O 1pz -0.028070 0.043721 0.028593 0.006584 0.022404 -0.011693 27O 1px -0.016686 -0.011919 -0.001590 -0.040381 0.001966 -0.012999 27O 1py 0.019306 -0.050772 -0.029232 0.018430 0.020169 0.019412 27O 2pz -0.030253 0.041320 0.026726 -0.010686 -0.009986 -0.012692 27O 2px 0.061450 0.140930 -0.007104 -0.152740 -0.031743 -0.203486 27O 2py 0.016084 -0.091846 -0.055148 0.078493 0.034592 0.092547 27O 3pz 0.059387 0.060499 -0.082147 -0.001956 0.202335 -0.018705 27O 3px 0.112858 0.324447 -0.101289 0.095528 0.163238 -0.436367 27O 3py 0.007854 0.028569 0.232474 -0.171842 -0.259543 -0.035039 27O 1dz2 -0.000877 -0.000488 0.000063 0.000346 0.001226 0.000802 27O 1dxz -0.002589 0.005618 0.001905 -0.001463 0.000378 -0.000907 27O 1dyz 0.000880 -0.001658 -0.001549 0.000972 0.000083 -0.000169 27O 1dx2y2 0.001573 -0.001075 -0.002398 -0.000042 0.000102 -0.001283 27O 1dxy 0.001581 -0.003241 -0.002878 0.002491 0.000587 0.001793 27O 2dz2 0.011281 0.079857 -0.081205 0.003086 0.066668 -0.084240 27O 2dxz -0.023763 0.036516 -0.027014 0.043291 -0.196236 0.031670 27O 2dyz 0.000531 -0.100011 0.037459 0.075337 -0.017694 0.035563 27O 2dx2y2 -0.020264 0.014526 -0.074379 0.093031 -0.037981 0.049119 27O 2dxy -0.001133 0.036585 -0.051411 -0.021453 -0.091362 -0.030576 27O 1f0 0.002932 -0.002210 -0.002022 0.001694 -0.001034 0.000143 27O 1f+1 -0.001921 -0.003406 -0.000331 0.002537 -0.002835 0.004103 27O 1f-1 0.000153 -0.000011 0.000179 -0.000296 0.002540 -0.000442 27O 1f+2 -0.000464 0.001751 0.001596 0.000180 0.000091 -0.000607 27O 1f-2 0.000426 0.000998 0.000222 -0.000010 0.001914 -0.002323 27O 1f+3 -0.003033 -0.002891 0.001168 0.000752 0.003086 0.003447 27O 1f-3 0.001928 0.001394 -0.002326 0.000403 -0.002221 -0.002538 28O 1s 0.004612 -0.004616 -0.000140 -0.004535 0.000403 0.000833 28O 2s 0.011466 -0.010266 0.000186 -0.010300 0.000784 0.000709 28O 3s -0.011463 -0.026015 -0.010970 -0.016700 0.003707 0.046363 28O 4s -0.259243 0.429446 0.067968 0.395877 -0.058708 -0.266230 28O 5s 0.180986 0.155959 0.101288 0.012399 0.238136 -1.916066 28O 1pz 0.027914 -0.004535 -0.003441 -0.016125 -0.020370 0.011927 28O 1px -0.013045 0.008514 0.013721 0.039837 -0.006168 0.004292 28O 1py 0.019231 -0.000335 0.000320 -0.001354 0.009354 0.016255 28O 2pz 0.083251 -0.162308 -0.002479 -0.155936 -0.027899 0.232355 28O 2px -0.023917 0.144196 0.024605 0.151047 0.011841 -0.193410 28O 2py 0.041974 -0.020696 -0.006040 -0.035784 -0.010075 0.072449 28O 3pz -0.242451 -0.222523 -0.135523 0.385393 0.162460 0.537920 28O 3px -0.004940 0.183613 0.078934 -0.004931 -0.101762 -0.708296 28O 3py -0.058308 -0.006442 -0.059640 0.162119 0.398370 0.007239 28O 1dz2 0.000959 -0.002378 0.000880 0.000858 -0.001830 0.002779 28O 1dxz -0.000825 0.002950 0.000280 0.001090 0.001001 -0.005636 28O 1dyz 0.000959 0.000736 0.000152 -0.000243 0.000897 0.002016 28O 1dx2y2 -0.001050 0.000487 -0.000324 -0.000985 -0.000075 0.000333 28O 1dxy -0.001932 -0.000642 0.000902 0.000425 -0.001251 -0.003564 28O 2dz2 -0.036253 -0.058023 0.098121 0.027934 -0.144737 -0.023168 28O 2dxz -0.047755 -0.112331 0.027597 -0.039958 -0.153013 0.106095 28O 2dyz 0.020300 -0.011982 -0.016405 -0.002627 0.061694 -0.003169 28O 2dx2y2 0.002759 -0.087909 0.079798 -0.006123 -0.241227 0.006994 28O 2dxy 0.051756 -0.113514 0.004565 -0.046123 0.185358 0.043686 28O 1f0 0.002949 0.000904 0.000261 -0.000743 0.002843 -0.002378 28O 1f+1 0.000628 0.003573 0.000082 0.001185 0.000880 -0.003104 28O 1f-1 0.001332 -0.000883 -0.000069 -0.000038 0.000595 -0.001425 28O 1f+2 -0.004270 -0.003712 -0.000524 -0.000277 0.000876 0.006050 28O 1f-2 -0.001084 0.000300 -0.000081 0.002864 0.001147 -0.000789 28O 1f+3 -0.001658 -0.001664 -0.000028 -0.000031 0.003024 0.001831 28O 1f-3 -0.002281 0.001663 -0.000273 0.001874 -0.001721 -0.002079 29O 1s -0.000186 -0.002615 -0.002331 0.003308 0.000719 -0.001343 29O 2s -0.001102 -0.006429 -0.006810 0.009615 0.002449 -0.006578 29O 3s 0.017572 0.005180 0.031970 -0.043539 -0.018652 0.088074 29O 4s -0.062952 0.174466 0.022550 -0.043090 0.037315 -0.301937 29O 5s 0.006687 -0.682772 -0.353743 0.571020 0.041529 0.058500 29O 1pz -0.039904 -0.011612 -0.013317 -0.051727 0.034213 0.073978 29O 1px -0.015131 -0.016881 -0.002308 -0.019067 0.007429 0.024176 29O 1py -0.003043 0.002626 0.001389 0.014439 -0.001581 -0.036252 29O 2pz 0.188221 0.077797 0.086932 0.283724 -0.123852 -0.321195 29O 2px 0.059653 0.009606 -0.004669 0.144453 -0.031453 -0.166477 29O 2py 0.000624 -0.017161 0.027141 -0.061856 -0.008859 0.123829 29O 3pz 0.364591 0.144370 0.100657 0.455650 -0.408746 -0.566203 29O 3px 0.090960 0.122208 0.140742 0.127406 -0.136413 -0.547281 29O 3py -0.021582 0.246134 0.043392 -0.211381 0.054644 0.174881 29O 1dz2 0.001799 -0.000079 0.000497 0.002578 -0.003708 -0.002703 29O 1dxz -0.002034 -0.003042 -0.000643 -0.001411 0.003913 0.003124 29O 1dyz 0.000889 0.000949 0.000086 -0.000005 0.001642 -0.000787 29O 1dx2y2 -0.000338 0.001155 -0.000152 -0.002338 0.001695 0.000617 29O 1dxy 0.000387 -0.001382 0.000075 0.001402 -0.000489 -0.001819 29O 2dz2 -0.145201 -0.107507 -0.099111 -0.138099 0.126082 0.136083 29O 2dxz 0.076697 0.005331 0.007001 0.236068 -0.054860 -0.400555 29O 2dyz -0.255176 -0.095194 -0.107647 -0.379425 0.207449 0.435951 29O 2dx2y2 0.055787 0.024101 0.022572 0.019963 -0.020835 -0.006137 29O 2dxy -0.098287 -0.039504 0.014016 -0.207879 0.032933 0.392354 29O 1f0 0.001958 0.001359 0.002976 -0.003623 -0.001297 0.008147 29O 1f+1 0.000203 -0.000098 -0.000794 0.003232 -0.001302 -0.003496 29O 1f-1 0.009754 0.003984 0.006098 0.008847 -0.008182 -0.005794 29O 1f+2 -0.005357 -0.003052 -0.003125 -0.004033 0.004613 0.004275 29O 1f-2 -0.008748 -0.004091 -0.002497 -0.019891 0.007145 0.025467 29O 1f+3 0.002342 0.000262 -0.000384 0.008099 -0.001643 -0.010035 29O 1f-3 0.004135 0.002459 0.000947 0.008713 -0.002449 -0.011380 30O 1s -0.003433 0.005537 0.003440 -0.000765 0.001622 0.001113 30O 2s -0.009504 0.011678 0.008102 -0.001789 0.003848 0.004751 30O 3s 0.025492 0.043841 0.008738 -0.001281 -0.004148 -0.059195 30O 4s 0.102623 -0.570246 -0.247532 0.081626 -0.103626 0.286389 30O 5s 0.284566 -0.300808 -0.471992 -0.176580 0.602127 0.891757 30O 1pz -0.006003 0.002918 0.022984 -0.001305 -0.023179 -0.033705 30O 1px 0.019857 0.012252 -0.020273 -0.032369 0.008815 -0.013493 30O 1py 0.004191 -0.017844 -0.011230 0.022398 -0.011751 0.031751 30O 2pz -0.048496 0.142438 0.099625 -0.010473 -0.043756 -0.148033 30O 2px 0.026818 -0.144799 -0.105638 -0.027902 0.031221 0.150686 30O 2py 0.059082 -0.156985 -0.129400 0.037628 0.058685 0.165389 30O 3pz 0.032789 0.305975 -0.109349 0.012584 -0.045810 0.063470 30O 3px 0.046336 -0.423752 -0.111659 0.059015 0.056398 0.159590 30O 3py -0.207310 -0.107514 0.222538 -0.114658 -0.412098 0.034038 30O 1dz2 -0.000954 0.001881 0.000038 -0.000781 -0.001944 -0.000646 30O 1dxz 0.001185 -0.001948 -0.001166 -0.001600 0.001285 -0.000280 30O 1dyz 0.000150 -0.002666 -0.001985 0.000748 0.001586 -0.001152 30O 1dx2y2 0.000490 -0.000985 -0.000601 0.001515 -0.001161 -0.000094 30O 1dxy -0.000693 0.000472 0.001898 0.000656 0.000132 -0.000420 30O 2dz2 -0.050312 0.027099 -0.104108 0.007447 -0.093540 0.024788 30O 2dxz -0.049228 0.048210 0.019650 0.027886 -0.248513 0.023049 30O 2dyz 0.031539 -0.030334 0.031971 0.003565 0.098127 -0.052206 30O 2dx2y2 -0.024526 0.123226 -0.020092 0.024690 -0.090512 -0.019229 30O 2dxy -0.014041 -0.101776 -0.065077 -0.045421 -0.145148 0.034084 30O 1f0 -0.000104 -0.000773 -0.001503 -0.000668 0.002932 0.002882 30O 1f+1 0.000870 -0.003243 -0.003034 0.001623 0.001096 0.002775 30O 1f-1 0.000468 -0.001804 -0.000315 0.001023 -0.002460 0.001809 30O 1f+2 0.001571 0.001715 0.000557 0.001086 -0.002817 0.000240 30O 1f-2 0.002832 0.004564 0.001432 0.000528 -0.001036 -0.005701 30O 1f+3 -0.000098 -0.003028 -0.000813 0.001067 -0.000052 0.002838 30O 1f-3 0.002061 0.001008 -0.000334 0.002701 0.002005 -0.002812 31O 1s -0.003934 -0.005402 0.002971 -0.001802 -0.001666 0.001144 31O 2s -0.010481 -0.011344 0.007014 -0.004246 -0.003839 0.004809 31O 3s 0.018642 -0.043667 0.006068 -0.005045 0.001791 -0.059155 31O 4s 0.166101 0.559660 -0.228538 0.108678 0.113897 0.282924 31O 5s 0.377830 0.271490 -0.182515 0.460943 -0.564565 0.926493 31O 1pz 0.005887 0.001996 -0.017870 0.014907 -0.023818 0.032700 31O 1px -0.019318 0.013071 -0.007192 -0.037716 0.009926 0.011957 31O 1py -0.005528 -0.017109 0.023128 0.009056 -0.012763 -0.032851 31O 2pz 0.067800 0.137257 -0.076110 0.059923 -0.042910 0.151563 31O 2px -0.048248 -0.140275 0.054037 -0.092330 0.031298 -0.154060 31O 2py -0.082889 -0.150617 0.114421 -0.060242 0.056862 -0.169515 31O 3pz 0.025309 0.306021 0.110670 -0.059551 0.004677 -0.088459 31O 3px -0.108206 -0.416429 0.103354 -0.040553 0.019879 -0.167443 31O 3py 0.148760 -0.118832 -0.266550 0.061813 -0.463838 -0.018273 31O 1dz2 -0.001013 -0.001817 0.000574 0.000522 0.001830 -0.000474 31O 1dxz 0.001559 0.001877 0.000358 0.002001 -0.001053 -0.000261 31O 1dyz 0.000518 0.002643 -0.001802 0.000893 -0.001204 -0.001155 31O 1dx2y2 0.000632 0.000966 -0.001372 -0.000620 0.001475 -0.000088 31O 1dxy -0.001298 -0.000427 0.000677 -0.001794 -0.000428 -0.000514 31O 2dz2 -0.038633 -0.025829 -0.075193 0.065580 0.094623 0.023526 31O 2dxz -0.058116 -0.044295 -0.007625 -0.032799 0.246364 0.034699 31O 2dyz 0.030548 0.029457 0.020010 -0.026237 -0.098652 -0.054537 31O 2dx2y2 -0.027959 -0.122254 -0.028489 -0.002420 0.087859 -0.012841 31O 2dxy 0.005387 0.100876 -0.010614 0.077877 0.148980 0.039979 31O 1f0 -0.000524 -0.000672 0.000380 -0.001466 0.002895 -0.002742 31O 1f+1 -0.001152 -0.003106 0.003261 -0.000861 0.001203 -0.002625 31O 1f-1 -0.000476 -0.001772 0.000984 0.000526 -0.002323 -0.002019 31O 1f+2 -0.001331 0.001718 0.000438 0.001216 -0.002654 -0.000269 31O 1f-2 -0.002120 0.004574 -0.000530 0.001361 -0.000955 0.005802 31O 1f+3 -0.000163 -0.003030 0.001348 0.000265 -0.000045 -0.002837 31O 1f-3 -0.001436 0.001064 0.002327 0.001741 0.002151 0.002986 32O 1s -0.000927 0.002615 -0.004347 -0.000688 -0.000623 -0.001240 32O 2s -0.003151 0.006472 -0.012535 -0.001903 -0.001709 -0.006288 32O 3s 0.024644 -0.006386 0.054901 0.006230 0.005155 0.087019 32O 4s -0.042766 -0.169111 0.065429 0.023146 0.016269 -0.302910 32O 5s -0.110805 0.678219 -0.723630 -0.160746 -0.068561 0.060719 32O 1pz 0.037070 -0.014080 -0.027086 -0.046270 0.033395 -0.077198 32O 1px 0.010916 -0.017671 -0.012829 -0.015047 0.006088 -0.023672 32O 1py 0.003440 0.001860 0.007503 0.009332 -0.005739 0.035033 32O 2pz -0.174984 0.088023 0.137798 0.265590 -0.117750 0.333893 32O 2px -0.043000 0.012200 0.108536 0.097413 -0.035564 0.167986 32O 2py -0.014373 -0.014344 -0.060513 -0.015813 0.002090 -0.114243 32O 3pz -0.350110 0.160013 0.250035 0.405501 -0.379679 0.583045 32O 3px -0.113181 0.125352 -0.033562 0.178262 -0.189249 0.559517 32O 3py -0.010425 0.247179 -0.187228 -0.103977 0.060634 -0.168064 32O 1dz2 0.001824 -0.000024 -0.001398 -0.002186 0.003641 -0.002854 32O 1dxz -0.001928 0.003172 0.000513 0.001470 -0.003927 0.003231 32O 1dyz 0.000717 -0.000975 0.000004 -0.000060 -0.001696 -0.000787 32O 1dx2y2 -0.000562 -0.001108 0.001467 0.001863 -0.001565 0.000790 32O 1dxy 0.000326 0.001391 -0.000877 -0.000922 0.000620 -0.001890 32O 2dz2 -0.143560 0.110349 0.010164 0.160374 -0.088565 0.119697 32O 2dxz 0.064492 -0.011024 -0.166840 -0.176161 0.076628 -0.419550 32O 2dyz -0.246987 0.114561 0.185670 0.353222 -0.198298 0.452855 32O 2dx2y2 0.051249 -0.030098 -0.008269 -0.040762 0.011353 -0.020907 32O 2dxy -0.059103 0.043106 0.159706 0.124118 -0.056304 0.380863 32O 1f0 -0.001742 0.001233 -0.004754 -0.000900 0.000239 -0.008458 32O 1f+1 -0.000219 0.000013 0.003309 0.002175 -0.001918 0.004536 32O 1f-1 -0.009557 0.004481 0.001392 0.010547 -0.006440 0.005421 32O 1f+2 0.005341 -0.003389 -0.000301 -0.005127 0.004001 -0.004057 32O 1f-2 0.007816 -0.004683 -0.012248 -0.016084 0.008064 -0.026352 32O 1f+3 -0.001401 0.000170 0.005566 0.004802 -0.001879 0.009151 32O 1f-3 -0.003463 0.002743 0.005640 0.007001 -0.002753 0.011725 33O 1s 0.004861 0.004426 0.002972 0.003492 -0.000522 0.000798 33O 2s 0.012122 0.009801 0.007155 0.007635 -0.001132 0.000620 33O 3s -0.013303 0.026258 0.002084 0.018962 -0.002083 0.046309 33O 4s -0.261927 -0.417245 -0.211673 -0.338181 0.055739 -0.265756 33O 5s 0.197489 -0.164280 0.082340 -0.072848 -0.235214 -1.893872 33O 1pz -0.026651 -0.003244 -0.007614 -0.014055 -0.020608 -0.013120 33O 1px 0.017207 0.008418 0.019086 0.038201 -0.005169 -0.003488 33O 1py -0.018316 0.000934 -0.000524 -0.000542 0.008943 -0.013383 33O 2pz -0.081978 -0.158332 -0.099775 -0.116062 -0.029106 -0.231534 33O 2px 0.024083 0.143564 0.082075 0.128094 0.015939 0.194492 33O 2py -0.038593 -0.018705 -0.018240 -0.030798 -0.009606 -0.072640 33O 3pz 0.247371 -0.229476 0.374924 0.199698 0.178976 -0.518835 33O 3px -0.002300 0.180343 -0.073060 0.044160 -0.126798 0.689048 33O 3py 0.076431 -0.006149 0.163974 0.080011 0.409378 0.000425 33O 1dz2 0.001164 0.002331 0.000030 -0.001304 0.001625 0.002712 33O 1dxz -0.000964 -0.002942 -0.000479 -0.000943 -0.000792 -0.005495 33O 1dyz 0.000737 -0.000797 0.000161 0.000041 -0.001067 0.001873 33O 1dx2y2 -0.000967 -0.000412 0.000516 0.000976 0.000127 0.000423 33O 1dxy -0.001573 0.000757 0.000520 -0.000932 0.001466 -0.003513 33O 2dz2 -0.023320 0.060727 0.055030 -0.090297 0.145908 -0.030528 33O 2dxz -0.042622 0.114753 0.045464 0.009120 0.156259 0.107739 33O 2dyz 0.012706 0.010424 -0.012743 0.015030 -0.063766 0.001229 33O 2dx2y2 0.005764 0.088555 0.059804 -0.049494 0.243449 0.009074 33O 2dxy 0.052118 0.110755 0.031967 0.032646 -0.186692 0.032962 33O 1f0 -0.003135 0.001047 -0.000799 -0.000377 0.002928 0.002648 33O 1f+1 -0.000674 0.003591 0.000646 0.000991 0.001056 0.003241 33O 1f-1 -0.001330 -0.000834 0.000022 -0.000075 0.000511 0.001382 33O 1f+2 0.004357 -0.003870 0.000372 -0.000496 0.000760 -0.005905 33O 1f-2 0.000898 0.000256 0.001939 0.002041 0.001274 0.000792 33O 1f+3 0.001778 -0.001715 0.000106 0.000034 0.003052 -0.001636 33O 1f-3 0.001892 0.001539 0.001255 0.001224 -0.001615 0.001857 34O 1s -0.001839 -0.000732 0.003208 0.002928 -0.001908 0.000469 34O 2s -0.005056 -0.000273 0.008466 0.006574 -0.004413 0.001712 34O 3s 0.018463 -0.042128 -0.012269 0.012400 -0.001028 -0.029993 34O 4s 0.021656 0.275093 -0.142075 -0.256242 0.149556 0.118544 34O 5s -0.065740 0.442741 -0.181182 0.107799 -0.379563 1.589805 34O 1pz 0.030366 0.042099 -0.016658 0.024286 0.022150 0.014219 34O 1px 0.013614 -0.012068 -0.027455 -0.030460 0.001379 0.013918 34O 1py -0.023344 -0.049793 0.034122 -0.006626 0.020837 -0.018897 34O 2pz 0.031645 0.039646 -0.027514 0.010852 -0.008786 0.014038 34O 2px -0.046081 0.143259 -0.095147 -0.119973 -0.023773 0.205866 34O 2py -0.024935 -0.090494 0.092346 0.020243 0.031342 -0.095946 34O 3pz -0.058333 0.061958 0.057369 -0.054222 0.195374 0.011926 34O 3px -0.017340 0.323728 0.174323 -0.005204 0.214060 0.428609 34O 3py -0.025946 0.031379 -0.294663 0.032131 -0.274614 0.056315 34O 1dz2 -0.000712 0.000544 -0.000131 -0.000320 -0.001053 0.000786 34O 1dxz -0.002840 -0.005485 0.002432 -0.000266 -0.000479 -0.000959 34O 1dyz 0.001025 0.001620 -0.001796 0.000314 -0.000192 -0.000095 34O 1dx2y2 0.001596 0.001005 -0.001785 0.001691 -0.000303 -0.001294 34O 1dxy 0.002170 0.003172 -0.003635 0.000162 -0.000193 0.001888 34O 2dz2 0.014775 -0.082254 -0.057897 0.053936 -0.065057 -0.093383 34O 2dxz -0.020982 -0.036684 -0.047136 -0.012218 0.195688 0.036740 34O 2dyz 0.004389 0.099726 -0.025025 -0.081043 0.017451 0.035674 34O 2dx2y2 -0.007664 -0.014115 -0.113264 -0.019267 0.041268 0.049102 34O 2dxy -0.001720 -0.036257 -0.021606 0.052270 0.090913 -0.019468 34O 1f0 -0.002829 -0.002021 0.002717 -0.000187 -0.000936 -0.000115 34O 1f+1 0.001515 -0.003439 0.001876 0.001705 -0.002844 -0.004374 34O 1f-1 -0.000005 -0.000029 -0.000290 -0.000131 0.002503 0.000564 34O 1f+2 0.000566 0.001639 -0.001009 0.001243 0.000081 0.000564 34O 1f-2 -0.000332 0.001002 -0.000175 0.000127 0.001924 0.002372 34O 1f+3 0.002629 -0.002999 -0.000433 0.001441 0.002847 -0.003387 34O 1f-3 -0.001742 0.001503 0.002001 -0.001382 -0.002314 0.002379 35O 1s 0.003255 0.000109 -0.000132 -0.000726 -0.000600 -0.000798 35O 2s 0.009392 -0.000593 0.000177 -0.000833 -0.000999 -0.004274 35O 3s -0.031522 0.024229 -0.013066 -0.025145 -0.007958 0.065299 35O 4s -0.014125 -0.132795 0.084651 0.138777 0.100477 -0.298980 35O 5s -0.681316 -0.219203 0.108625 0.419183 -0.384460 -1.245170 35O 1pz -0.020458 -0.033988 -0.036485 -0.039245 0.003801 -0.040688 35O 1px -0.011386 0.029168 0.003805 0.020413 -0.002477 -0.003674 35O 1py -0.030115 -0.005353 -0.019008 -0.024739 -0.034016 -0.026711 35O 2pz -0.079745 -0.044064 -0.043265 -0.028109 -0.024992 -0.082471 35O 2px -0.036735 -0.029500 0.032352 0.119758 -0.017941 -0.200147 35O 2py -0.058574 -0.014788 -0.001092 0.023232 -0.026349 -0.119546 35O 3pz 0.168900 -0.136328 0.253154 0.107784 0.220426 -0.114291 35O 3px -0.123339 -0.506863 0.301815 0.325099 0.129005 -0.660035 35O 3py 0.091788 -0.256983 0.196882 0.167424 0.130956 -0.402182 35O 1dz2 0.000781 0.000598 0.002229 0.002580 -0.000780 -0.001357 35O 1dxz 0.004851 0.003003 0.002052 0.000910 0.000608 0.004669 35O 1dyz 0.003489 0.001956 0.003231 0.001495 0.001757 0.000824 35O 1dx2y2 -0.002102 0.000169 -0.001872 -0.003894 -0.000966 -0.000242 35O 1dxy 0.002820 -0.000926 -0.000389 -0.000487 0.000443 0.002895 35O 2dz2 0.097099 0.097399 0.070297 -0.099632 0.013444 -0.016575 35O 2dxz 0.045619 0.060453 0.076234 0.019442 0.147087 -0.059382 35O 2dyz 0.005456 0.008477 -0.016168 -0.009106 0.034207 0.043883 35O 2dx2y2 -0.037643 0.057800 0.055247 -0.039695 0.119697 -0.031111 35O 2dxy -0.007811 -0.025481 -0.004484 0.068201 -0.161201 -0.065375 35O 1f0 -0.002434 -0.000049 -0.001547 0.000193 -0.003933 0.001342 35O 1f+1 -0.000784 0.000311 -0.001570 -0.002843 -0.003171 0.003700 35O 1f-1 -0.002426 0.000592 -0.000235 -0.001051 -0.000682 0.002065 35O 1f+2 0.000790 -0.001266 -0.000134 0.000145 -0.002373 -0.001394 35O 1f-2 0.001047 -0.000548 0.000899 0.000329 0.001634 0.000349 35O 1f+3 -0.002206 0.000956 -0.002491 -0.002902 -0.000112 0.001083 35O 1f-3 -0.000739 0.002145 0.000106 -0.003713 0.003174 0.005337 342 343 344 345 346 347 1.64498 1.64611 1.65080 1.71707 1.72274 1.74267 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s 0.001552 -0.000614 0.000149 0.000188 0.000812 0.003489 0Rh 2s -0.003663 0.001933 -0.000316 -0.000592 -0.006901 -0.015003 0Rh 3s 0.006864 -0.002417 0.000681 0.000739 0.000546 0.011301 0Rh 4s 0.016848 -0.009097 0.001482 0.002841 0.034740 0.072981 0Rh 5s 0.006962 0.003555 0.000388 -0.001856 -0.072604 -0.082534 0Rh 6s -0.150461 0.047409 -0.009912 -0.009779 0.103426 -0.122236 0Rh 7s 1.491841 -0.433055 0.072937 -0.002666 -1.306006 0.045779 0Rh 8s -0.247703 0.014807 0.171652 -0.118462 0.443514 -0.495790 0Rh 1pz -0.000131 0.000056 0.001358 0.001898 0.001080 -0.004040 0Rh 1px 0.001287 0.000679 -0.004535 0.000813 -0.024072 0.004282 0Rh 1py 0.002746 0.000244 -0.000774 0.003602 -0.005387 -0.003204 0Rh 2pz -0.000437 0.000367 -0.004409 -0.006401 -0.003501 0.013328 0Rh 2px -0.001251 -0.003203 0.015667 -0.002485 0.079441 -0.012685 0Rh 2py -0.009266 -0.001164 0.003021 -0.012301 0.018068 0.010969 0Rh 3pz 0.018745 -0.011952 -0.003721 -0.000039 -0.004602 0.007015 0Rh 3px -0.066002 0.019322 -0.007452 -0.005343 0.040751 -0.037718 0Rh 3py -0.000464 0.007302 -0.008802 0.002635 0.002954 -0.003359 0Rh 4pz -0.072746 0.047373 0.042551 0.037731 0.049154 -0.109635 0Rh 4px 0.275621 -0.057881 -0.066787 0.035650 -0.650130 0.225871 0Rh 4py 0.059650 -0.023424 0.019041 0.064960 -0.122723 -0.051172 0Rh 5pz 0.133476 -0.110003 -0.093799 -0.059088 -0.127254 0.184789 0Rh 5px -0.542950 0.107704 0.119882 -0.059411 1.113903 -0.382372 0Rh 5py -0.093693 0.059773 -0.069004 -0.108372 0.199353 0.075099 0Rh 6pz -0.150675 1.001934 0.971807 0.206656 -0.027789 -0.491051 0Rh 6px 1.813017 -0.014438 -0.612486 0.206480 -1.700251 1.521212 0Rh 6py -0.810088 -0.640948 1.447940 0.195925 0.303214 -0.059160 0Rh 1dz2 -0.011199 -0.013599 -0.006093 0.000642 -0.009213 -0.019627 0Rh 1dxz -0.010870 -0.002742 -0.001550 0.001306 -0.015721 -0.019077 0Rh 1dyz -0.007276 0.009480 -0.002865 0.012186 -0.001852 -0.005433 0Rh 1dx2y2 0.003810 -0.011540 -0.003211 0.006904 0.023044 0.033523 0Rh 1dxy -0.008141 -0.006321 0.010850 0.003771 0.010660 0.008117 0Rh 2dz2 0.002404 0.002683 0.001203 -0.002012 0.002190 0.005832 0Rh 2dxz 0.001264 -0.000027 0.000920 0.000608 0.000300 0.006645 0Rh 2dyz 0.001313 -0.002706 -0.000870 -0.006544 -0.000926 0.003089 0Rh 2dx2y2 -0.000407 0.002932 -0.000594 -0.002211 -0.003746 -0.009565 0Rh 2dxy -0.000500 0.001137 -0.002379 -0.002951 -0.001582 -0.002621 0Rh 3dz2 0.016273 0.020851 0.009296 0.007381 0.013111 0.021977 0Rh 3dxz 0.020487 0.006739 -0.000358 -0.005882 0.036716 0.017441 0Rh 3dyz 0.011464 -0.010880 0.010616 -0.000458 0.008464 -0.000515 0Rh 3dx2y2 -0.007432 0.014766 0.010368 -0.006906 -0.039880 -0.039471 0Rh 3dxy 0.021402 0.010121 -0.015445 0.003848 -0.019035 -0.008256 0Rh 4dz2 0.040674 0.046569 0.021893 -0.032715 0.029614 0.100493 0Rh 4dxz 0.023672 -0.000307 0.015371 0.009451 0.014261 0.106002 0Rh 4dyz 0.025089 -0.044538 -0.010109 -0.112020 -0.011992 0.052434 0Rh 4dx2y2 -0.005097 0.049470 -0.008428 -0.039337 -0.058951 -0.161183 0Rh 4dxy 0.001744 0.021505 -0.044707 -0.047125 -0.026733 -0.042292 0Rh 5dz2 -0.136037 -0.167828 -0.098971 0.215810 -0.045417 -0.466623 0Rh 5dxz -0.064127 0.030525 -0.081262 -0.056438 -0.056453 -0.401141 0Rh 5dyz -0.113341 0.162601 0.035360 0.678737 0.055099 -0.312138 0Rh 5dx2y2 -0.025836 -0.175482 0.073608 0.208830 0.147532 0.650772 0Rh 5dxy -0.035727 -0.096424 0.225462 0.257998 0.075786 0.133096 0Rh 1f0 -0.050591 -0.035128 -0.001937 -0.053858 0.010253 0.010549 0Rh 1f+1 0.014373 -0.087495 -0.046527 0.057373 -0.042663 -0.025925 0Rh 1f-1 0.008478 -0.017540 0.029832 -0.070360 -0.066231 -0.004362 0Rh 1f+2 0.044354 -0.035298 0.035774 -0.054470 0.068970 -0.030195 0Rh 1f-2 0.024942 0.049741 -0.004877 0.146937 0.017448 -0.056848 0Rh 1f+3 0.066652 -0.027802 0.052504 -0.019201 -0.053653 -0.011175 0Rh 1f-3 0.065656 0.032357 -0.117003 -0.095038 -0.000174 -0.004927 1Rh 1s 0.001616 -0.000305 -0.000169 -0.000188 0.000755 -0.003486 1Rh 2s -0.004007 0.000290 0.000371 0.000706 -0.006676 0.014172 1Rh 3s 0.007029 -0.001613 -0.000766 -0.000669 0.000347 -0.011787 1Rh 4s 0.018513 -0.001154 -0.001737 -0.003437 0.033647 -0.068676 1Rh 5s 0.004734 -0.006970 -0.000352 0.003649 -0.071456 0.070043 1Rh 6s -0.151875 0.040427 0.011456 0.005341 0.105425 0.151402 1Rh 7s 1.500056 -0.437887 -0.085471 0.051696 -1.303023 -0.353334 1Rh 8s -0.204474 0.117484 -0.169934 0.106016 0.443310 0.592653 1Rh 1pz 0.000208 -0.000288 0.001477 0.001807 -0.001010 -0.005912 1Rh 1px -0.000402 0.001133 -0.004581 0.000193 0.023931 0.007987 1Rh 1py -0.002239 0.001881 -0.000701 0.003117 0.005260 -0.000888 1Rh 2pz 0.000305 0.000956 -0.004822 -0.006087 0.003257 0.019425 1Rh 2px -0.001741 -0.002947 0.015852 -0.000472 -0.078893 -0.024885 1Rh 2py 0.007388 -0.006629 0.002781 -0.010672 -0.017629 0.003238 1Rh 3pz -0.021423 0.000199 -0.003491 -0.000232 0.004734 0.011885 1Rh 3px 0.066057 -0.018851 -0.008081 -0.003612 -0.042243 -0.044846 1Rh 3py 0.003999 0.005868 -0.008947 0.002833 -0.003224 -0.005309 1Rh 4pz 0.084732 -0.005237 0.044123 0.036951 -0.048257 -0.165929 1Rh 4px -0.257326 0.095482 -0.065343 0.016367 0.652622 0.330625 1Rh 4py -0.062805 0.016418 0.021054 0.054332 0.121303 0.003197 1Rh 5pz -0.164004 -0.011080 -0.096184 -0.059676 0.125735 0.279969 1Rh 5px 0.507049 -0.194433 0.116659 -0.025726 -1.118276 -0.567934 1Rh 5py 0.109837 -0.006173 -0.072320 -0.091695 -0.198482 -0.010454 1Rh 6pz 0.528819 0.767447 0.967747 0.206923 0.039051 -0.779660 1Rh 6px -1.547727 0.949551 -0.600830 0.146021 1.724147 1.761381 1Rh 6py 0.397555 -0.984949 1.448490 0.206916 -0.271867 -0.010944 1Rh 1dz2 -0.001710 0.016951 0.006226 -0.000430 -0.008760 0.016690 1Rh 1dxz -0.006526 0.007107 0.001992 -0.000948 -0.015491 0.017227 1Rh 1dyz -0.011905 -0.005563 0.003024 -0.012176 -0.002124 0.004317 1Rh 1dx2y2 0.010031 0.006994 0.003219 -0.007353 0.022251 -0.029264 1Rh 1dxy -0.004332 0.009579 -0.010710 -0.004313 0.010141 -0.006591 1Rh 2dz2 0.000393 -0.003409 -0.001241 0.001962 0.002119 -0.005474 1Rh 2dxz 0.000813 -0.000541 -0.000961 -0.000586 0.000159 -0.006093 1Rh 2dyz 0.002637 0.001742 0.000869 0.006606 -0.000810 -0.002615 1Rh 2dx2y2 -0.001949 -0.002211 0.000599 0.002300 -0.003474 0.009112 1Rh 2dxy -0.000957 -0.000666 0.002380 0.003047 -0.001414 0.002368 1Rh 3dz2 0.002338 -0.025690 -0.009451 -0.007686 0.012323 -0.016417 1Rh 3dxz 0.012041 -0.014717 -0.000517 0.004927 0.036780 -0.015253 1Rh 3dyz 0.016788 0.005788 -0.010984 0.000158 0.008602 0.001166 1Rh 3dx2y2 -0.015551 -0.006997 -0.010407 0.007618 -0.039154 0.031064 1Rh 3dxy 0.014333 -0.019848 0.015113 -0.002949 -0.018515 0.005591 1Rh 4dz2 0.006281 -0.058685 -0.022468 0.032105 0.028295 -0.093539 1Rh 4dxz 0.015308 -0.009882 -0.016295 -0.009437 0.011992 -0.098886 1Rh 4dyz 0.046650 0.027741 0.009918 0.112980 -0.009881 -0.045352 1Rh 4dx2y2 -0.031506 -0.037863 0.008432 0.040632 -0.054378 0.152847 1Rh 4dxy -0.008189 -0.018631 0.044565 0.048728 -0.023902 0.038860 1Rh 5dz2 -0.014731 0.205535 0.100604 -0.215743 -0.041039 0.438492 1Rh 5dxz -0.050221 -0.002557 0.084801 0.057230 -0.046044 0.389680 1Rh 5dyz -0.189087 -0.092723 -0.034050 -0.683426 0.040797 0.286696 1Rh 5dx2y2 0.073260 0.157138 -0.072939 -0.211802 0.126367 -0.624357 1Rh 5dxy 0.012408 0.098668 -0.224543 -0.262842 0.062384 -0.132206 1Rh 1f0 0.030118 -0.058095 -0.002188 -0.054277 -0.011771 0.015425 1Rh 1f+1 -0.054156 -0.068715 -0.045942 0.055170 0.043807 -0.029957 1Rh 1f-1 -0.017209 -0.010738 0.030712 -0.074860 0.064154 -0.002935 1Rh 1f+2 -0.059109 -0.003230 0.036272 -0.052903 -0.071354 -0.011121 1Rh 1f-2 0.003404 0.058118 -0.004354 0.145389 -0.015234 -0.041277 1Rh 1f+3 -0.067144 0.008998 0.053506 -0.020879 0.053774 -0.020023 1Rh 1f-3 -0.041005 0.063532 -0.116015 -0.096111 -0.003603 -0.000586 2C 1s 0.000434 0.002468 0.005543 0.011837 0.009778 -0.010649 2C 2s -0.001103 0.008457 0.017090 0.039662 0.037670 -0.036497 2C 3s 0.056121 -0.100004 -0.176874 -0.461978 -0.559490 0.425299 2C 4s -0.229064 0.246945 0.409166 1.198248 1.896940 -1.104215 2C 5s 1.278090 -0.768923 -0.835037 -0.332887 -0.121796 0.063592 2C 1pz -0.037804 -0.090499 -0.060300 -0.028667 -0.146304 0.054978 2C 1px 0.164581 -0.111311 -0.215108 0.001719 0.033620 0.010762 2C 1py 0.011532 0.150463 0.040749 0.002209 -0.054606 0.009338 2C 2pz -0.052649 0.392886 0.162676 0.205875 1.166872 -0.314188 2C 2px -0.621815 0.403400 0.706405 0.142863 0.023919 -0.189928 2C 2py -0.164210 -0.509512 -0.154512 0.096013 0.637361 -0.154104 2C 3pz 0.259033 -0.289713 -0.109299 0.039361 0.005618 -0.067256 2C 3px 0.300517 -0.273958 -0.367609 0.121411 0.167931 -0.046051 2C 3py 0.145199 0.149504 0.021701 0.069218 0.081773 -0.082177 2C 1dz2 0.008878 -0.016738 0.003402 0.006979 -0.007898 -0.007457 2C 1dxz 0.012602 -0.023905 -0.014193 -0.024036 -0.016761 0.023115 2C 1dyz 0.002310 0.009700 0.013015 -0.002713 -0.017262 0.000489 2C 1dx2y2 -0.016345 -0.012304 0.010702 0.001821 0.003072 0.000321 2C 1dxy 0.004817 0.016410 0.010812 -0.013172 -0.005531 0.013465 2C 2dz2 -0.095352 0.016390 0.009839 0.041950 0.332495 -0.060089 2C 2dxz 0.095803 -0.170167 -0.196402 0.052727 0.202254 -0.085447 2C 2dyz -0.241651 0.100378 0.167976 0.102068 0.466150 -0.143713 2C 2dx2y2 -0.129261 -0.031982 0.081631 -0.019825 -0.197971 0.040516 2C 2dxy 0.005809 0.193276 0.089597 0.075001 0.136937 -0.095508 2C 1f0 -0.016793 -0.031161 0.009809 0.010075 -0.002598 -0.004321 2C 1f+1 -0.007903 0.007879 0.018087 0.000474 0.002582 -0.007409 2C 1f-1 0.015233 0.003486 -0.009732 0.013877 0.016524 -0.008727 2C 1f+2 0.013427 -0.021987 -0.015792 -0.015499 -0.002646 0.012917 2C 1f-2 0.010777 -0.015091 -0.018579 -0.000535 -0.003171 0.001191 2C 1f+3 -0.002986 -0.017884 -0.014219 -0.014535 -0.003169 0.006419 2C 1f-3 -0.018177 0.026728 0.020371 0.007427 -0.002088 -0.007408 3C 1s 0.004433 0.002337 -0.004854 -0.008271 0.008179 -0.002663 3C 2s 0.009997 0.008224 -0.015483 -0.028744 0.032884 -0.009764 3C 3s -0.066122 -0.090249 0.147425 0.348274 -0.490543 0.107590 3C 4s -0.079089 0.255835 -0.288160 -0.927593 1.696019 -0.246048 3C 5s -1.684116 -0.129031 0.776819 -0.240612 0.641013 -0.289049 3C 1pz 0.029593 0.042861 -0.199396 0.036667 -0.116872 0.006428 3C 1px -0.028937 -0.213010 0.075958 -0.035491 -0.046835 -0.002391 3C 1py -0.099179 0.056860 -0.097814 -0.032914 0.116574 -0.017155 3C 2pz -0.331271 -0.111350 0.736054 -0.166641 0.790295 -0.039877 3C 2px -0.045835 0.805568 -0.301171 -0.061706 0.440992 0.020550 3C 2py 0.692277 -0.235123 0.358673 0.245739 -1.026915 0.110447 3C 3pz -0.224940 0.208130 -0.360673 0.003992 0.035843 -0.048158 3C 3px -0.167698 -0.246278 0.205507 -0.205153 0.144009 0.020292 3C 3py 0.187563 0.060074 -0.345411 0.138905 -0.227683 0.109351 3C 1dz2 0.000421 0.001356 -0.010012 -0.008787 0.006395 -0.003367 3C 1dxz 0.001188 -0.027221 0.000092 0.009502 -0.017801 0.002336 3C 1dyz -0.004898 -0.016891 0.029818 0.004357 0.009428 0.002169 3C 1dx2y2 -0.012614 0.000073 -0.022897 0.010448 0.004383 0.003622 3C 1dxy -0.011995 0.002785 -0.012950 -0.023771 0.017206 -0.010132 3C 2dz2 0.081597 -0.021079 0.100249 0.052517 -0.095304 0.012527 3C 2dxz -0.190775 -0.182141 0.045537 -0.105347 0.166950 -0.016570 3C 2dyz 0.185351 -0.245833 0.212936 0.051233 -0.385794 0.046875 3C 2dx2y2 0.166704 -0.056462 -0.140529 0.044714 -0.362273 0.032855 3C 2dxy 0.179877 -0.082623 -0.067819 0.118381 -0.343517 -0.003473 3C 1f0 -0.001306 0.004939 -0.024754 0.001340 -0.012894 -0.002529 3C 1f+1 0.007541 0.022788 -0.034056 -0.000947 -0.003561 0.002465 3C 1f-1 0.012563 0.002415 0.036351 0.005161 0.000543 0.003758 3C 1f+2 -0.023841 0.019199 -0.000148 0.018730 0.002516 0.004901 3C 1f-2 -0.023971 -0.002926 0.014849 -0.001695 0.005958 -0.002070 3C 1f+3 0.003627 -0.018923 -0.006562 -0.004255 -0.006762 0.000780 3C 1f-3 -0.010493 -0.027901 0.005587 0.005435 -0.007060 0.005229 4C 1s 0.001327 0.000506 0.003698 -0.005310 -0.001084 0.005840 4C 2s 0.002636 0.000719 0.009096 -0.017557 -0.002143 0.019335 4C 3s -0.055045 0.057809 0.047873 0.323731 0.227122 -0.380636 4C 4s -0.242486 -0.216580 -0.469286 -1.095626 -0.988415 1.465517 4C 5s -0.218408 0.420119 1.057285 0.075629 -0.535083 0.114547 4C 1pz -0.056402 0.012343 0.039831 -0.019797 -0.062387 0.051901 4C 1px -0.007283 0.001033 0.010930 0.027536 0.085878 -0.080900 4C 1py -0.010541 -0.055511 -0.014801 -0.023525 -0.013386 0.007047 4C 2pz -0.099885 0.012036 -0.117625 0.349038 1.295762 -0.226897 4C 2px -0.349189 0.020109 0.007817 -0.667777 -0.768166 0.183689 4C 2py -0.239197 0.214202 -0.005524 -0.002892 0.508889 -0.093074 4C 3pz 1.210625 -0.595082 -0.150623 0.559736 0.064816 -0.455782 4C 3px -0.018718 -0.012987 0.000463 -0.981199 -0.274997 0.466279 4C 3py 0.816024 -0.411667 -0.133274 -0.035126 -0.116748 -0.097300 4C 1dz2 0.013990 0.023144 0.007179 -0.002753 -0.006567 -0.009709 4C 1dxz 0.012246 0.009941 0.004818 0.000698 -0.021469 0.007212 4C 1dyz 0.016736 -0.016791 0.013723 -0.003704 -0.017624 0.003853 4C 1dx2y2 -0.007478 0.011900 -0.020317 -0.005587 0.005373 0.007894 4C 1dxy -0.003520 0.003975 0.001005 -0.002882 0.001677 0.007862 4C 2dz2 0.097107 0.009571 -0.059888 -0.065898 -0.205545 0.114071 4C 2dxz -0.068369 0.129172 0.050970 0.110827 -0.386568 -0.208292 4C 2dyz 0.221125 -0.073618 -0.080707 -0.125049 -0.456860 0.128937 4C 2dx2y2 0.077958 0.068820 -0.000794 -0.076350 0.202179 0.072726 4C 2dxy -0.056859 -0.137621 -0.073730 -0.016498 -0.252102 -0.018208 4C 1f0 -0.003602 -0.005424 0.015701 -0.004272 -0.001692 -0.007324 4C 1f+1 -0.006317 -0.017313 0.013597 0.014315 0.015317 -0.015005 4C 1f-1 -0.011346 0.003035 0.024993 0.028410 0.048586 -0.022160 4C 1f+2 0.012898 -0.016078 -0.019618 0.007470 -0.005350 0.015989 4C 1f-2 0.000073 0.015043 0.007441 0.003692 0.016954 -0.007430 4C 1f+3 0.013344 -0.001854 0.010736 0.022474 0.020913 -0.004502 4C 1f-3 0.012061 0.022025 -0.001938 0.029612 0.014265 -0.009303 5C 1s -0.005870 0.006136 -0.002640 0.002377 0.003065 -0.001239 5C 2s -0.021185 0.017878 -0.006796 0.007914 0.011460 -0.003498 5C 3s 0.351764 -0.108376 0.038838 -0.241057 0.092219 -0.049130 5C 4s -1.475537 0.147183 -0.152881 1.039623 -0.706095 0.389228 5C 5s 0.055124 0.777877 -0.994554 0.389206 -0.555726 0.258581 5C 1pz -0.020626 0.020865 0.060902 0.011220 -0.032077 0.082359 5C 1px -0.033159 0.018495 0.033776 -0.029352 0.075969 -0.117854 5C 1py 0.065342 -0.039871 0.014845 -0.052836 0.032860 -0.027090 5C 2pz -0.431277 0.042161 -0.168165 -0.293027 0.772129 -0.375090 5C 2px -0.085905 0.143231 -0.223875 0.652072 -0.370550 0.895884 5C 2py 0.598040 -0.094795 -0.034357 0.318851 -1.070434 0.183661 5C 3pz -0.598274 -0.000489 0.249788 -0.581167 0.422441 -0.158465 5C 3px -0.105650 -0.048282 0.177223 1.017074 -0.215208 -0.096542 5C 3py 1.019167 -0.161398 -0.279936 0.585702 -0.620473 0.239775 5C 1dz2 0.011997 0.006742 0.021370 0.000743 0.004383 -0.005193 5C 1dxz 0.006743 0.002315 0.009915 -0.001102 -0.016415 0.003905 5C 1dyz -0.005430 -0.007191 -0.015027 -0.003634 0.004670 0.005222 5C 1dx2y2 -0.018256 -0.006869 0.021120 0.000215 0.014465 0.001474 5C 1dxy -0.018756 -0.010275 0.008014 -0.004097 0.012973 -0.011041 5C 2dz2 0.133216 -0.133746 0.091115 -0.040391 0.031198 -0.160311 5C 2dxz 0.336341 0.113726 -0.024647 -0.072885 -0.229817 0.132496 5C 2dyz -0.172137 0.198268 -0.186450 -0.167525 0.341349 0.102275 5C 2dx2y2 -0.512189 0.258342 -0.026112 -0.030408 0.383185 0.228661 5C 2dxy -0.211183 0.060418 0.154721 0.071597 0.441989 -0.274475 5C 1f0 0.020718 -0.007897 -0.003073 0.024977 -0.034659 0.008956 5C 1f+1 0.006761 -0.017153 -0.018157 -0.023708 0.006540 -0.014636 5C 1f-1 -0.001051 -0.009008 0.012032 0.004354 -0.003908 0.001877 5C 1f+2 0.005651 -0.027366 0.023761 -0.004224 -0.025582 -0.001113 5C 1f-2 -0.007141 -0.006059 0.006459 -0.005923 -0.014960 -0.002282 5C 1f+3 0.007552 0.017234 0.008275 -0.035497 0.034926 -0.012913 5C 1f-3 -0.020476 -0.009881 -0.015985 0.007306 -0.005176 0.002479 6C 1s -0.007798 -0.002771 0.002659 -0.002630 0.003198 0.001408 6C 2s -0.026166 -0.006099 0.006886 -0.008783 0.011856 0.004373 6C 3s 0.347120 -0.061062 -0.042395 0.244782 0.099380 0.059287 6C 4s -1.305960 0.556670 0.169897 -1.038293 -0.754959 -0.441643 6C 5s -0.319933 -0.708046 0.990733 -0.372731 -0.582081 -0.377383 6C 1pz 0.033010 0.007634 0.059082 0.011979 0.032172 0.072633 6C 1px 0.038504 -0.000334 0.033567 -0.027701 -0.077259 -0.088800 6C 1py -0.069531 -0.000048 0.015813 -0.053745 -0.034918 -0.022834 6C 2pz 0.376727 -0.182602 -0.166429 -0.277118 -0.779039 -0.363751 6C 2px 0.144115 0.090031 -0.232156 0.649816 0.379248 0.522855 6C 2py -0.563443 0.212770 -0.031393 0.293375 1.080975 0.279334 6C 3pz 0.518490 -0.245127 0.240785 -0.573493 -0.447764 -0.056220 6C 3px 0.073860 -0.035567 0.168367 1.002158 0.230535 -0.161954 6C 3py -0.952600 0.279833 -0.263651 0.577502 0.654617 0.122524 6C 1dz2 0.006615 -0.011967 -0.021586 -0.000817 0.004069 0.004465 6C 1dxz 0.005416 -0.005853 -0.010120 0.001623 -0.016677 -0.005087 6C 1dyz -0.001299 0.010089 0.015112 0.003589 0.004829 -0.003221 6C 1dx2y2 -0.011805 0.015476 -0.021075 -0.000837 0.014195 0.002689 6C 1dxy -0.010135 0.018487 -0.007988 0.003958 0.013272 0.012948 6C 2dz2 0.189115 0.053376 -0.094697 0.043105 0.032526 0.133394 6C 2dxz 0.217509 -0.249472 0.022940 0.075465 -0.225043 -0.115404 6C 2dyz -0.239526 -0.072866 0.188333 0.155617 0.354077 -0.008911 6C 2dx2y2 -0.568286 0.021006 0.034084 0.015339 0.387136 -0.119609 6C 2dxy -0.219279 0.048978 -0.154332 -0.081066 0.435983 0.248561 6C 1f0 -0.019856 0.003237 -0.003092 0.023955 0.035425 0.008254 6C 1f+1 -0.014864 -0.012135 -0.017952 -0.023612 -0.007411 -0.009320 6C 1f-1 -0.004109 -0.007527 0.012076 0.004197 0.004296 0.001595 6C 1f+2 -0.018692 -0.020143 0.024015 -0.005160 0.026264 0.006534 6C 1f-2 0.003806 -0.008816 0.006467 -0.006166 0.015600 0.003816 6C 1f+3 0.002611 0.017135 0.008597 -0.034603 -0.036226 -0.012147 6C 1f-3 0.012842 -0.017942 -0.016211 0.007179 0.005718 0.003742 7C 1s 0.001402 -0.000657 -0.003728 0.005460 -0.001069 -0.004042 7C 2s 0.003553 -0.000447 -0.009175 0.017987 -0.002097 -0.013153 7C 3s -0.096521 -0.046032 -0.045316 -0.336434 0.222235 0.346610 7C 4s -0.038163 0.390026 0.463729 1.140759 -0.966463 -1.445785 7C 5s -0.390480 -0.232613 -1.057413 -0.062225 -0.541473 -0.204434 7C 1pz 0.056305 -0.019472 0.037027 -0.022683 0.064060 0.043962 7C 1px 0.007243 -0.002307 0.009935 0.031831 -0.084476 -0.071465 7C 1py -0.022073 -0.052219 -0.012896 -0.023281 0.014072 0.002799 7C 2pz 0.072908 -0.079968 -0.107188 0.397023 -1.291522 -0.324360 7C 2px 0.303847 -0.170693 0.002322 -0.710435 0.739337 0.044379 7C 2py 0.304548 0.032342 -0.009310 0.009709 -0.520211 -0.197123 7C 3pz -1.398825 0.029880 -0.133042 0.570583 -0.041035 -0.589200 7C 3px 0.002725 -0.045084 -0.005780 -0.986339 0.252493 0.327940 7C 3py -0.947102 0.010806 -0.120122 -0.030379 0.121388 -0.222566 7C 1dz2 0.000734 -0.027156 -0.007186 0.002980 -0.006079 0.006545 7C 1dxz 0.006053 -0.015477 -0.004861 0.000172 -0.021366 -0.008863 7C 1dyz 0.022914 0.005638 -0.013915 0.004499 -0.017917 -0.004542 7C 1dx2y2 -0.011360 -0.006223 0.020585 0.005240 0.005922 -0.003357 7C 1dxy -0.005424 -0.001009 -0.001118 0.003182 0.001408 -0.009158 7C 2dz2 0.073038 -0.078577 0.062717 0.068574 -0.205654 -0.193832 7C 2dxz -0.136006 -0.096874 -0.048896 -0.092410 -0.380241 0.170437 7C 2dyz 0.212539 -0.060308 0.079498 0.142011 -0.455793 -0.214194 7C 2dx2y2 0.039308 -0.067172 -0.002828 0.072497 0.205660 -0.017631 7C 2dxy 0.038520 0.152734 0.071187 0.028501 -0.245284 0.048732 7C 1f0 0.001784 -0.006157 0.015485 -0.004574 0.002149 -0.008891 7C 1f+1 -0.002831 -0.016754 0.013221 0.015171 -0.014603 -0.015898 7C 1f-1 0.010012 -0.003676 0.025095 0.030153 -0.047679 -0.028403 7C 1f+2 -0.019702 -0.007938 -0.019288 0.007143 0.005935 0.021524 7C 1f-2 0.007624 0.012191 0.007169 0.004173 -0.016575 -0.011156 7C 1f+3 -0.011041 0.004381 0.010958 0.023301 -0.020132 -0.002981 7C 1f-3 0.001150 0.026340 -0.001836 0.030306 -0.013346 -0.006569 8C 1s 0.002641 -0.004034 0.004718 0.008231 0.008540 0.002778 8C 2s 0.004564 -0.011380 0.015075 0.028420 0.034205 0.011090 8C 3s -0.012310 0.100774 -0.143456 -0.341904 -0.506367 -0.145732 8C 4s -0.197547 -0.156077 0.281275 0.900851 1.737169 0.420419 8C 5s -1.379620 0.836672 -0.746853 0.221870 0.672929 0.260101 8C 1pz -0.018167 0.044113 -0.196258 0.032943 0.119071 0.020755 8C 1px -0.088917 -0.196423 0.080103 -0.038891 0.046037 0.008810 8C 1py 0.099714 -0.001355 -0.095609 -0.029102 -0.119729 -0.034058 8C 2pz 0.275772 -0.234459 0.723830 -0.144533 -0.799600 -0.149831 8C 2px 0.465985 0.659767 -0.316538 -0.042289 -0.446771 -0.058677 8C 2py -0.663896 0.150349 0.353880 0.217811 1.045724 0.263834 8C 3pz 0.272562 0.071947 -0.359992 0.004004 -0.041710 -0.035410 8C 3px 0.014048 -0.293771 0.210517 -0.204776 -0.151296 0.023027 8C 3py -0.146842 0.117155 -0.336478 0.134271 0.238011 0.098378 8C 1dz2 -0.001063 -0.000616 0.010076 0.008630 0.006891 0.003221 8C 1dxz 0.015975 0.022182 -0.000193 -0.008742 -0.018261 -0.003056 8C 1dyz 0.003413 0.016690 -0.029732 -0.004472 0.009005 0.001344 8C 1dx2y2 -0.009546 0.006760 0.022782 -0.010469 0.004143 -0.000723 8C 1dxy -0.010572 0.004233 0.013050 0.023325 0.018278 0.009264 8C 2dz2 0.071542 -0.022686 -0.100406 -0.049069 -0.098635 -0.027647 8C 2dxz -0.055537 0.247648 -0.045534 0.101772 0.171630 0.039157 8C 2dyz 0.267542 0.111018 -0.212679 -0.039436 -0.391321 -0.109286 8C 2dx2y2 0.185498 -0.030952 0.135412 -0.034641 -0.365057 -0.086842 8C 2dxy 0.201438 -0.018540 0.067107 -0.107956 -0.351159 -0.050226 8C 1f0 0.000946 0.003160 -0.024520 0.000994 0.012905 0.000106 8C 1f+1 0.005195 0.021874 -0.033909 -0.000699 0.003147 0.001792 8C 1f-1 -0.007452 0.008733 0.036178 0.005162 -0.000068 0.002490 8C 1f+2 0.029411 0.005199 -0.000335 0.019601 -0.002355 0.001169 8C 1f-2 0.018524 -0.013348 0.014400 -0.000953 -0.006145 -0.001535 8C 1f+3 -0.014402 -0.014427 -0.006128 -0.004781 0.006611 0.000172 8C 1f-3 -0.005030 -0.028600 0.005551 0.005046 0.007087 0.005060 9C 1s -0.000948 -0.002449 -0.005593 -0.012326 0.009618 0.010886 9C 2s -0.005338 -0.006876 -0.017233 -0.041461 0.037138 0.038363 9C 3s 0.101116 0.058392 0.178114 0.487062 -0.553455 -0.463623 9C 4s -0.327977 -0.085180 -0.413158 -1.278447 1.881446 1.273771 9C 5s 1.578154 0.118493 0.816323 0.337931 -0.123370 0.178158 9C 1pz -0.014754 -0.087935 -0.056555 -0.031163 0.145375 0.073031 9C 1px -0.191107 -0.021170 -0.214960 0.002440 -0.034234 0.019199 9C 1py 0.073876 0.136510 0.033397 -0.001017 0.054713 0.037663 9C 2pz 0.240801 0.261354 0.150350 0.237910 -1.162282 -0.472603 9C 2px 0.713601 0.061583 0.706996 0.145128 -0.021067 -0.229641 9C 2py -0.145311 -0.539546 -0.128803 0.124557 -0.638730 -0.322754 9C 3pz -0.385877 -0.129629 -0.097607 0.043196 0.000011 -0.129621 9C 3px -0.385744 -0.093012 -0.364464 0.127257 -0.164377 -0.040283 9C 3py -0.062578 0.186140 0.010408 0.072811 -0.082349 -0.102757 9C 1dz2 0.015490 0.009600 -0.003927 -0.006749 -0.008033 0.005263 9C 1dxz 0.022844 0.014305 0.014247 0.024622 -0.016508 -0.022532 9C 1dyz -0.001842 -0.009758 -0.012931 0.003408 -0.017250 -0.002677 9C 1dx2y2 -0.006731 0.019133 -0.010749 -0.002292 0.003014 0.002990 9C 1dxy -0.005554 -0.015772 -0.010605 0.013738 -0.005729 -0.014517 9C 2dz2 -0.082179 0.042136 -0.012055 -0.052545 0.328282 0.113882 9C 2dxz 0.175911 0.112026 0.194559 -0.058900 0.202341 0.121129 9C 2dyz -0.245341 0.049102 -0.165294 -0.118387 0.466907 0.228470 9C 2dx2y2 -0.081253 0.081704 -0.079613 0.025482 -0.200592 -0.060858 9C 2dxy -0.105404 -0.158901 -0.087542 -0.076675 0.134762 0.099059 9C 1f0 -0.002329 -0.034139 0.010436 0.010663 0.002942 -0.005353 9C 1f+1 0.012291 0.002830 0.018113 0.000374 -0.002207 -0.005696 9C 1f-1 -0.009605 0.010823 -0.009349 0.014360 -0.016465 -0.005165 9C 1f+2 -0.021984 -0.013998 -0.015168 -0.016374 0.002790 0.009184 9C 1f-2 -0.016371 -0.006790 -0.018593 -0.000461 0.002676 0.002500 9C 1f+3 -0.008930 -0.018015 -0.014345 -0.014504 0.002619 0.001561 9C 1f-3 0.028180 0.014262 0.019913 0.006841 0.002066 -0.006851 10H 1s -0.058611 0.024559 0.054097 0.021551 -0.019875 -0.026299 10H 2s 0.506172 -0.249513 -0.552448 -0.193729 0.235272 0.122097 10H 3s -0.361479 0.247303 0.523614 0.203647 -0.116541 -0.117300 10H 1pz 0.006214 0.055415 -0.018013 0.098494 0.115274 -0.086150 10H 1px -0.081165 0.066887 0.093762 0.066737 0.020324 -0.067330 10H 1py -0.031841 -0.041697 0.023997 0.036222 0.076018 -0.058166 11H 1s 0.026045 -0.092597 -0.064738 -0.022536 -0.027432 0.035436 11H 2s -0.293600 0.656914 0.544564 -0.054578 0.047710 -0.019155 11H 3s 0.147896 -0.450455 -0.274028 0.086299 0.067514 -0.032896 11H 1pz -0.040858 -0.029722 0.027492 -0.008990 0.070222 -0.012452 11H 1px -0.029490 0.053455 0.056099 0.036819 0.024931 -0.046944 11H 1py 0.001804 -0.162713 -0.020094 0.047074 0.087451 -0.051793 12H 1s 0.033919 0.056743 -0.008575 -0.008195 -0.003060 0.023705 12H 2s -0.353650 -0.415045 0.017017 -0.162599 -0.077910 0.105615 12H 3s 0.094999 0.293954 0.050755 0.110831 0.137870 -0.087884 12H 1pz 0.028484 0.151667 -0.020425 0.016133 0.069900 -0.017544 12H 1px -0.041445 0.031482 0.014415 -0.030051 -0.009529 -0.002217 12H 1py -0.027605 -0.034133 -0.003219 -0.005651 0.029365 -0.003489 13H 1s 0.028032 0.066175 -0.058454 0.000107 -0.011557 -0.003540 13H 2s -0.391667 -0.557661 0.550423 -0.015596 0.179556 -0.005970 13H 3s 0.256750 0.456488 -0.502593 -0.024873 -0.075048 -0.006410 13H 1pz -0.035850 -0.020799 0.086201 -0.010923 0.058583 -0.016561 13H 1px 0.040466 0.089211 -0.068556 -0.033000 0.038313 -0.034185 13H 1py 0.057723 -0.026633 0.099176 0.118241 -0.115994 0.046227 14H 1s 0.001375 -0.071707 -0.024132 0.011078 -0.050698 0.008355 14H 2s -0.018024 0.542621 0.199791 0.150500 0.238818 0.046913 14H 3s 0.093805 -0.219680 -0.202326 -0.035749 -0.109980 0.012932 14H 1pz -0.034067 0.006150 0.039673 -0.029923 0.054227 0.010154 14H 1px -0.008576 0.058776 -0.007599 0.042965 0.026674 -0.007772 14H 1py 0.035800 0.053713 0.133657 -0.026073 -0.038336 -0.005783 15H 1s 0.034800 -0.035658 0.102724 0.010319 -0.012782 0.014954 15H 2s -0.218525 0.294835 -0.683230 0.102900 -0.034996 -0.024968 15H 3s 0.303955 -0.241325 0.549831 -0.095246 0.078219 -0.003034 15H 1pz 0.013869 -0.006591 0.194441 -0.030295 0.076066 0.006989 15H 1px -0.028170 0.027515 0.033073 -0.101919 0.061570 -0.035784 15H 1py 0.036118 -0.043032 -0.023918 -0.006750 -0.064479 -0.001449 16H 1s 0.244829 0.017438 0.050441 -0.032380 0.157248 0.220549 16H 2s -1.489704 -0.148100 -0.447410 0.256445 -0.621853 -0.710083 16H 3s 0.218597 0.112964 0.104087 -0.073480 0.214270 0.017900 16H 1pz -0.140195 -0.016016 -0.022559 0.068493 -0.197806 -0.047218 16H 1px -0.036771 0.006148 -0.152555 0.087871 -0.176630 -0.006304 16H 1py -0.133090 -0.014265 -0.052669 -0.128095 0.083533 -0.313521 17H 1s 0.072464 -0.065802 -0.053610 0.079339 0.102344 0.251557 17H 2s -0.317222 0.497143 0.257876 -0.412568 -0.460429 -0.805247 17H 3s -0.082074 -0.091468 -0.129549 0.112296 0.022598 0.172661 17H 1pz 0.052181 -0.078683 0.007540 0.172034 -0.146019 0.311136 17H 1px 0.029261 0.084807 -0.089530 -0.024854 0.078172 -0.032189 17H 1py -0.007517 0.102731 0.005944 0.066228 -0.199577 -0.117288 18H 1s 0.095329 0.002083 0.054989 -0.081474 0.092911 -0.219385 18H 2s -0.525459 -0.155114 -0.271955 0.420147 -0.416370 0.690662 18H 3s -0.021059 0.096041 0.137287 -0.112717 0.014704 -0.110170 18H 1pz -0.086014 -0.033947 0.000898 0.163959 0.157583 0.216419 18H 1px 0.012545 0.094223 -0.087501 -0.022141 -0.085017 -0.025599 18H 1py 0.050379 0.076987 0.003985 0.063956 0.202970 -0.153785 19H 1s 0.201147 -0.134081 -0.056393 0.027676 0.153238 -0.206506 19H 2s -1.217531 0.849833 0.481388 -0.238673 -0.605434 0.631037 19H 3s 0.129360 -0.189874 -0.114266 0.065405 0.218713 -0.040092 19H 1pz 0.105244 -0.077607 -0.028019 0.063744 0.204172 -0.076509 19H 1px 0.033507 -0.010711 -0.156870 0.081535 0.178433 -0.061480 19H 1py 0.115183 -0.079252 -0.054494 -0.120411 -0.091255 -0.234869 20H 1s 0.040475 0.011316 -0.101928 -0.009793 -0.014463 -0.014987 20H 2s -0.275138 -0.128266 0.676761 -0.106934 -0.033891 0.036882 20H 3s 0.343141 0.052036 -0.547784 0.095901 0.077677 0.006941 20H 1pz -0.007213 0.003301 0.193408 -0.029284 -0.076255 -0.006794 20H 1px 0.036122 0.009902 0.032825 -0.098685 -0.064044 -0.031008 20H 1py -0.049782 -0.017977 -0.024302 -0.008957 0.064604 0.015916 21H 1s 0.042680 0.061291 0.022845 -0.008497 -0.051852 -0.013361 21H 2s -0.339266 -0.462524 -0.185338 -0.166402 0.235595 0.005975 21H 3s 0.220823 0.154854 0.191605 0.044984 -0.109184 -0.024171 21H 1pz 0.033724 -0.011241 0.038864 -0.026997 -0.054755 0.000152 21H 1px 0.041522 0.047514 -0.010049 0.043839 -0.026142 -0.015372 21H 1py 0.001780 0.065694 0.133379 -0.025068 0.039543 0.009912 22H 1s -0.009636 -0.067568 0.058567 -0.000140 -0.011510 0.001438 22H 2s -0.052992 0.647977 -0.549488 0.010157 0.181033 0.036412 22H 3s -0.003392 -0.504819 0.500673 0.025624 -0.073637 -0.025583 22H 1pz 0.021832 -0.032840 0.085690 -0.010330 -0.059590 -0.022855 22H 1px 0.010956 0.094143 -0.068846 -0.033245 -0.040069 -0.032083 22H 1py -0.061192 0.008383 0.098014 0.114786 0.121180 0.044266 23H 1s -0.005000 -0.065829 0.010724 0.009584 -0.003297 -0.035904 23H 2s -0.047834 0.527829 -0.030706 0.159636 -0.075416 -0.014680 23H 3s -0.095071 -0.302630 -0.038010 -0.114594 0.137948 0.037319 23H 1pz 0.054808 0.141379 -0.022876 0.019862 -0.072206 -0.028513 23H 1px 0.046651 0.008053 0.014200 -0.026953 0.007031 -0.009214 23H 1py 0.003682 -0.044274 -0.001487 -0.005215 -0.029160 -0.017929 24H 1s 0.068773 0.065445 0.063255 0.022634 -0.026977 -0.035516 24H 2s -0.590175 -0.413302 -0.530364 0.061633 0.045841 0.025617 24H 3s 0.341792 0.300666 0.263748 -0.092981 0.064542 0.029454 24H 1pz 0.019134 -0.048615 0.026531 -0.006465 -0.069826 -0.028221 24H 1px 0.053061 0.032174 0.055713 0.033822 -0.022584 -0.040743 24H 1py -0.082519 -0.140052 -0.017072 0.048919 -0.084997 -0.059494 25H 1s -0.061184 0.004651 -0.054245 -0.021777 -0.019555 0.022662 25H 2s 0.546152 0.002920 0.552418 0.194039 0.237815 -0.082460 25H 3s -0.425836 -0.055186 -0.522723 -0.204132 -0.122063 0.096638 25H 1pz 0.019332 0.046842 -0.018393 0.101164 -0.114480 -0.090774 25H 1px 0.100061 0.022972 0.093428 0.068432 -0.019598 -0.061897 25H 1py 0.005332 -0.052586 0.026330 0.041751 -0.075956 -0.063998 26O 1s -0.001296 -0.000242 0.002273 -0.002291 -0.002723 0.000707 26O 2s -0.002204 -0.001206 0.005289 -0.005498 -0.005732 0.002155 26O 3s -0.014781 0.010409 -0.003075 -0.012326 -0.019758 0.002713 26O 4s 0.100604 -0.042737 -0.172509 0.155041 0.165672 -0.060377 26O 5s -0.080238 0.305085 0.794772 0.876797 0.671667 -0.418486 26O 1pz 0.021473 -0.022308 -0.008014 0.021624 -0.000240 0.022785 26O 1px 0.003016 -0.019605 -0.021552 -0.045952 -0.047127 0.007084 26O 1py 0.009091 0.007911 0.001906 -0.018974 -0.011185 0.004216 26O 2pz 0.031009 -0.026572 -0.059851 0.001996 0.016797 0.026104 26O 2px 0.032987 -0.033968 -0.093885 -0.131397 -0.194514 0.111010 26O 2py 0.026429 -0.031465 -0.066436 -0.044143 -0.055049 0.055190 26O 3pz -0.439130 0.101829 0.513388 -0.721538 -0.018681 0.433298 26O 3px -0.684333 0.068828 0.297792 -0.315031 0.094493 -0.014145 26O 3py -0.286120 0.348908 0.317992 -0.541282 -0.051166 0.320443 26O 1dz2 0.002205 -0.000722 -0.000179 0.001964 -0.001435 -0.002128 26O 1dxz -0.004279 -0.000906 -0.000475 -0.002541 0.001198 0.000186 26O 1dyz -0.001143 -0.000716 -0.000923 0.000044 -0.002554 -0.002001 26O 1dx2y2 -0.002762 -0.001347 0.000256 -0.001387 -0.001025 0.001451 26O 1dxy -0.003090 0.001419 -0.001701 -0.002888 -0.000753 0.000954 26O 2dz2 -0.138450 -0.292958 0.073447 -0.144905 -0.059060 0.012274 26O 2dxz 0.011010 -0.060723 -0.015631 0.214943 0.164413 -0.161260 26O 2dyz 0.054096 0.175253 -0.032934 -0.064879 -0.018196 0.038649 26O 2dx2y2 -0.013335 -0.100504 0.125328 -0.030534 0.061401 0.044328 26O 2dxy -0.037150 -0.120188 -0.042257 0.124098 0.120713 -0.041765 26O 1f0 -0.001755 -0.000386 0.000864 0.001587 0.004561 -0.003524 26O 1f+1 0.001593 0.001540 0.002181 0.007991 0.006177 -0.007862 26O 1f-1 0.001816 0.000502 0.001178 0.001254 0.000571 0.001964 26O 1f+2 0.002399 0.000871 0.001519 -0.003268 -0.003178 0.003446 26O 1f-2 0.001172 -0.000828 -0.000348 0.000625 -0.003044 0.001467 26O 1f+3 0.000365 -0.002132 0.001849 0.002153 0.001958 -0.000736 26O 1f-3 -0.001076 -0.000250 0.001940 0.007935 0.008441 -0.008478 27O 1s 0.000613 0.003443 -0.000955 0.001738 -0.003490 -0.000619 27O 2s 0.001899 0.007747 -0.001144 0.003801 -0.008158 -0.004309 27O 3s -0.020747 0.010739 -0.025065 0.019345 -0.001883 0.074186 27O 4s 0.054747 -0.311542 0.193412 -0.157187 0.119390 -0.356959 27O 5s 1.379321 0.312963 -0.151708 -0.794961 0.023352 -0.482756 27O 1pz -0.017664 -0.026418 0.009566 -0.008192 -0.003512 0.013055 27O 1px 0.000649 -0.011324 0.013150 0.054734 -0.041256 0.027652 27O 1py 0.001920 -0.003300 -0.022151 0.011901 -0.014092 -0.024088 27O 2pz -0.032308 -0.015090 0.027218 -0.025073 0.039244 -0.005138 27O 2px -0.149928 0.031803 -0.048786 0.103054 -0.093473 0.297335 27O 2py 0.088984 0.024609 -0.020960 -0.002842 -0.033060 -0.076082 27O 3pz 0.135098 0.050408 -0.270343 0.471245 -0.137551 0.009905 27O 3px -0.683131 0.406573 -0.261836 0.561816 0.155163 0.124420 27O 3py 0.002186 -0.485352 0.118817 -0.938006 0.155496 -0.032435 27O 1dz2 0.002110 -0.000733 0.001078 -0.001465 0.000089 -0.001744 27O 1dxz -0.002297 -0.000667 -0.001148 0.000427 0.000161 -0.000988 27O 1dyz -0.001111 0.002065 -0.000659 0.001268 0.004143 0.002327 27O 1dx2y2 -0.002660 0.000268 -0.001586 0.003894 0.000605 0.003584 27O 1dxy 0.005956 -0.001120 -0.001808 -0.002916 -0.000702 0.000808 27O 2dz2 -0.058776 -0.184994 -0.257240 0.049281 -0.073790 0.049569 27O 2dxz 0.007389 0.026851 -0.064447 -0.146035 0.091027 -0.032743 27O 2dyz 0.012391 0.009087 0.137640 -0.172478 0.034583 0.016171 27O 2dx2y2 0.017976 -0.074106 -0.159170 -0.106829 0.106909 -0.055496 27O 2dxy 0.044466 0.148968 -0.030640 0.223102 -0.097927 0.110878 27O 1f0 -0.001168 -0.000829 -0.001231 -0.001983 0.001852 -0.002526 27O 1f+1 0.001814 0.003063 0.000340 -0.006369 0.006448 -0.007819 27O 1f-1 -0.000111 -0.001589 0.001156 0.000392 -0.002520 0.000552 27O 1f+2 0.000069 0.000107 0.002281 -0.002136 0.000491 -0.003255 27O 1f-2 -0.000784 -0.000697 0.000233 0.003708 -0.000828 -0.001059 27O 1f+3 0.002954 -0.001651 0.000522 -0.007289 0.003842 -0.006700 27O 1f-3 0.001873 0.002120 -0.002409 0.004748 -0.005607 0.007824 28O 1s -0.000286 0.000678 0.003284 -0.000156 -0.003508 0.002543 28O 2s -0.001505 0.001966 0.008086 -0.000510 -0.013592 0.005968 28O 3s 0.025468 -0.009457 -0.013129 0.004525 0.113441 0.002837 28O 4s -0.132350 -0.012210 -0.176295 -0.003167 -0.342874 -0.112209 28O 5s -0.432510 0.410743 0.899077 -0.397944 -0.706028 -0.241629 28O 1pz 0.015119 0.001779 -0.012667 -0.010362 0.027044 0.012386 28O 1px -0.018224 0.010078 0.008707 -0.040656 0.009933 -0.001606 28O 1py 0.001014 -0.042705 0.006999 -0.030163 0.001597 0.001092 28O 2pz 0.074164 -0.044541 -0.093840 -0.037144 0.149889 0.026764 28O 2px -0.106974 0.035101 0.060270 0.007481 -0.158650 -0.041182 28O 2py 0.012085 -0.010508 -0.032164 -0.021278 0.024383 0.001340 28O 3pz -0.084646 0.147650 0.522382 0.776542 0.434646 -0.147998 28O 3px 0.163222 -0.003919 0.159871 0.012073 -0.561118 -0.402332 28O 3py -0.145082 0.187343 0.161071 0.509188 0.161226 -0.185654 28O 1dz2 -0.001791 0.000028 0.001342 -0.001157 0.000880 0.003452 28O 1dxz 0.001393 0.001163 0.001013 -0.003901 -0.005528 0.000203 28O 1dyz -0.001941 -0.000607 -0.001170 -0.002178 -0.001291 0.004658 28O 1dx2y2 0.000921 0.001196 -0.001466 0.001916 0.002783 -0.001805 28O 1dxy 0.001929 -0.001047 0.000418 -0.001467 -0.002609 -0.000227 28O 2dz2 -0.035770 -0.170452 0.055291 -0.134375 -0.128172 0.097868 28O 2dxz 0.082918 -0.007054 0.089604 0.135525 0.046172 -0.004434 28O 2dyz 0.003462 0.133465 -0.023376 0.061113 -0.056441 -0.011793 28O 2dx2y2 0.033996 -0.013172 0.151982 0.087288 0.036574 -0.149902 28O 2dxy -0.024302 -0.100049 0.026585 0.205545 0.032881 -0.110808 28O 1f0 -0.003163 -0.004045 0.000454 -0.002066 -0.002316 0.000782 28O 1f+1 -0.003306 -0.001271 0.000640 -0.000312 -0.005355 0.002081 28O 1f-1 0.000960 -0.000108 0.001431 0.000267 -0.000217 -0.003291 28O 1f+2 0.001769 -0.002352 -0.002715 0.001867 0.006240 -0.000043 28O 1f-2 -0.002532 0.001553 0.001287 0.002235 -0.002417 -0.002037 28O 1f+3 -0.000559 -0.002066 -0.002301 0.001863 0.002875 -0.000312 28O 1f-3 -0.001899 0.003557 -0.000670 -0.001640 0.000536 0.002715 29O 1s 0.002538 0.000812 0.000536 -0.000251 0.007156 -0.001592 29O 2s 0.012961 0.001062 0.000970 0.000282 0.023251 0.004751 29O 3s -0.181617 0.023559 0.008959 -0.024127 -0.152543 -0.234969 29O 4s 0.650787 -0.156040 -0.095759 0.123336 0.139175 1.167579 29O 5s -0.231244 0.151388 0.355167 -0.105966 1.006684 -1.001046 29O 1pz 0.041449 0.025261 0.018374 -0.045090 0.042911 -0.029245 29O 1px 0.016116 -0.011289 0.040726 -0.010176 0.013658 0.013115 29O 1py 0.051349 -0.029727 0.019298 0.023442 0.045727 0.133225 29O 2pz -0.202785 -0.067467 -0.083041 0.085622 -0.099136 -0.000103 29O 2px 0.030317 -0.018955 -0.052729 0.036280 0.054957 0.066480 29O 2py -0.181234 0.022122 0.047924 -0.035605 -0.140612 -0.306979 29O 3pz -0.640631 -0.177140 -0.300223 0.023644 0.202695 -0.441897 29O 3px 0.537340 -0.391346 0.024709 0.127373 -0.109786 0.897983 29O 3py -0.136698 0.152445 -0.268454 -0.039213 -0.235318 0.081003 29O 1dz2 -0.002632 -0.002424 -0.000081 0.001242 0.000187 0.002769 29O 1dxz 0.001339 0.002910 0.005597 0.000280 0.006211 0.001851 29O 1dyz -0.000842 0.001901 -0.001317 0.002332 -0.001937 0.002145 29O 1dx2y2 0.003227 0.003070 -0.002235 -0.000335 -0.004252 -0.004372 29O 1dxy 0.001836 -0.002192 0.003627 0.001823 -0.001577 0.001650 29O 2dz2 0.487187 -0.021684 0.089306 -0.112784 0.165515 0.229102 29O 2dxz 0.140434 -0.119439 -0.017401 0.183285 0.048460 0.267899 29O 2dyz 0.338519 0.123210 0.109820 -0.151472 0.081602 0.004286 29O 2dx2y2 -0.177250 0.049321 -0.055870 0.018587 -0.074827 -0.223066 29O 2dxy -0.349502 0.089326 0.170282 -0.070820 -0.003427 -0.300775 29O 1f0 -0.015052 0.002322 -0.000415 -0.003886 -0.016519 -0.027313 29O 1f+1 0.004439 -0.001877 -0.000351 -0.000029 0.006610 0.010577 29O 1f-1 -0.025980 -0.000757 -0.003389 0.001304 -0.017690 -0.027915 29O 1f+2 0.010769 0.001522 0.003793 -0.000479 0.012067 0.012256 29O 1f-2 -0.002612 0.007147 0.004851 -0.007611 -0.003715 -0.022383 29O 1f+3 0.004455 -0.003837 -0.001860 0.002210 0.008238 0.013775 29O 1f-3 0.000302 -0.001457 -0.005358 0.002989 0.002756 0.008515 30O 1s -0.000598 0.001960 0.000199 0.001004 -0.003062 0.001812 30O 2s 0.000656 0.004410 0.000343 0.002309 -0.011723 0.005913 30O 3s -0.050798 -0.000323 0.005602 -0.003541 0.096470 -0.047077 30O 4s 0.240068 -0.133501 -0.033125 -0.039018 -0.301953 0.156249 30O 5s 1.077276 0.529741 -0.370680 0.551952 -0.639295 0.671847 30O 1pz 0.008873 0.009667 0.032787 0.007440 0.021148 0.000239 30O 1px -0.008255 0.033845 -0.005867 0.045683 0.031517 0.004173 30O 1py 0.022554 0.007773 -0.006877 -0.017531 -0.007755 -0.003707 30O 2pz -0.079748 -0.065732 0.071869 0.005524 0.081419 -0.140464 30O 2px 0.073318 0.071367 -0.078952 0.013751 -0.101771 0.179175 30O 2py 0.098569 0.072566 -0.083353 -0.012387 -0.095842 0.155853 30O 3pz -0.681415 0.584192 -0.526547 -0.485966 0.525848 0.172358 30O 3px 0.642368 -0.060200 0.005248 -0.228731 -0.478376 0.045284 30O 3py 0.743793 -0.627412 0.452291 0.685740 -0.577957 -0.151500 30O 1dz2 -0.001434 0.001866 -0.000457 -0.000233 0.001597 0.000782 30O 1dxz 0.004239 0.000009 0.001391 0.003415 -0.003051 0.002097 30O 1dyz 0.005124 -0.001332 -0.000998 -0.001595 -0.001571 -0.002126 30O 1dx2y2 0.004080 -0.001625 0.000043 -0.001792 -0.000149 -0.004311 30O 1dxy -0.005354 0.000352 0.000512 -0.003519 0.004838 -0.003196 30O 2dz2 -0.005045 -0.105045 -0.176407 0.141893 -0.088722 0.016558 30O 2dxz 0.007453 0.118664 -0.079091 -0.036342 -0.002900 -0.010176 30O 2dyz -0.020248 -0.004626 0.120766 0.017152 0.072067 -0.019829 30O 2dx2y2 -0.034072 0.077010 -0.169897 -0.192173 0.094984 -0.044233 30O 2dxy 0.105512 0.046564 0.033731 0.189622 0.005274 0.055048 30O 1f0 0.001042 -0.000828 -0.000915 0.002701 -0.003153 0.007524 30O 1f+1 -0.001358 -0.001942 -0.002550 0.001555 -0.001846 0.002285 30O 1f-1 -0.000411 0.003862 0.001013 -0.000676 0.000688 0.001252 30O 1f+2 -0.002365 0.000203 0.001254 -0.001853 0.002643 -0.000024 30O 1f-2 -0.003249 -0.001830 0.003036 -0.001245 0.006490 -0.006979 30O 1f+3 0.000795 -0.000539 -0.000389 0.000752 -0.001285 0.001026 30O 1f-3 -0.004207 -0.002575 -0.001873 -0.004934 0.001717 -0.005385 31O 1s -0.001311 -0.001323 -0.000160 -0.000972 -0.003087 -0.001668 31O 2s -0.001170 -0.003875 -0.000237 -0.002159 -0.011712 -0.004884 31O 3s -0.044233 0.022957 -0.005862 0.001879 0.095099 0.031058 31O 4s 0.266453 0.008364 0.032330 0.045915 -0.295851 -0.103840 31O 5s 0.671546 -0.961292 0.365661 -0.544042 -0.636715 -0.410391 31O 1pz 0.000171 0.014591 0.032463 0.008362 -0.020097 0.006157 31O 1px 0.023886 0.025305 -0.006167 0.047112 -0.031755 -0.004982 31O 1py -0.015134 0.016280 -0.006531 -0.017134 0.006592 -0.006737 31O 2pz 0.037473 -0.088697 0.071590 0.006149 -0.079566 -0.113535 31O 2px -0.028219 0.089781 -0.079679 0.013149 0.099481 0.129945 31O 2py -0.050729 0.103322 -0.082812 -0.013256 0.093890 0.131753 31O 3pz 0.867678 0.140758 -0.530677 -0.463781 -0.540457 0.180645 31O 3px -0.571628 0.269557 0.009079 -0.240389 0.465457 0.011733 31O 3py -0.909376 -0.159149 0.455383 0.659539 0.595626 -0.201807 31O 1dz2 -0.002355 -0.000845 0.000515 0.000146 0.001623 -0.000397 31O 1dxz 0.003556 -0.002207 -0.001421 -0.003341 -0.003151 -0.001921 31O 1dyz 0.005075 -0.001567 0.000920 0.001683 -0.001459 0.002419 31O 1dx2y2 0.004201 -0.000698 -0.000103 0.001835 -0.000010 0.004085 31O 1dxy -0.004536 0.002401 -0.000490 0.003403 0.004897 0.003125 31O 2dz2 0.043083 0.095521 0.176428 -0.136505 -0.093608 -0.014486 31O 2dxz -0.068854 -0.100008 0.079479 0.035898 -0.003789 -0.009913 31O 2dyz -0.010963 0.009960 -0.121024 -0.017750 0.067617 -0.004203 31O 2dx2y2 -0.072921 -0.047091 0.169868 0.189784 0.105554 0.033219 31O 2dxy 0.052691 -0.089128 -0.034116 -0.189919 0.000718 -0.019822 31O 1f0 -0.001466 -0.000333 -0.000923 0.002667 0.003195 0.006008 31O 1f+1 0.000044 -0.002494 -0.002543 0.001469 0.001889 0.001745 31O 1f-1 0.002446 0.002929 0.000974 -0.000566 -0.000712 0.000685 31O 1f+2 0.002264 -0.001101 0.001258 -0.001736 -0.002664 0.000159 31O 1f-2 0.001962 -0.002922 0.003068 -0.001128 -0.006446 -0.004940 31O 1f+3 -0.001003 -0.000186 -0.000415 0.000745 0.001332 0.000479 31O 1f-3 0.002001 -0.004147 -0.001850 -0.004938 -0.001834 -0.003782 32O 1s 0.001983 -0.002214 -0.000578 0.000031 0.007057 0.003043 32O 2s 0.011112 -0.008311 -0.001166 -0.000966 0.022747 -0.000147 32O 3s -0.167815 0.079035 -0.006394 0.028131 -0.145589 0.207155 32O 4s 0.622352 -0.213462 0.086897 -0.124618 0.114806 -1.152606 32O 5s -0.232607 -0.024221 -0.352108 0.073074 1.008432 1.211344 32O 1pz -0.021439 0.037938 0.020553 -0.043702 -0.044788 -0.016950 32O 1px -0.018043 -0.003875 0.041118 -0.009609 -0.012573 0.018318 32O 1py -0.059049 0.003433 0.020691 0.022832 -0.042825 0.122278 32O 2pz 0.133936 -0.138677 -0.091890 0.082857 0.099612 -0.009616 32O 2px -0.040099 0.012484 -0.053968 0.037922 -0.053186 0.046149 32O 2py 0.169178 -0.085407 0.043089 -0.036979 0.135280 -0.279388 32O 3pz 0.468013 -0.451237 -0.309191 0.032710 -0.219838 -0.366996 32O 3px -0.641932 -0.029704 0.029728 0.117989 0.135430 0.970832 32O 3py 0.203808 0.039879 -0.274150 -0.043848 0.221984 0.111081 32O 1dz2 -0.001169 0.003326 0.000144 -0.001212 0.000162 -0.001666 32O 1dxz -0.000167 -0.003030 -0.005679 -0.000471 0.006118 -0.001648 32O 1dyz -0.001453 -0.001323 0.001358 -0.002260 -0.002096 -0.001022 32O 1dx2y2 0.001238 -0.004270 0.002191 0.000436 -0.003991 0.003195 32O 1dxy 0.002697 0.000752 -0.003671 -0.001795 -0.001708 -0.001099 32O 2dz2 0.424101 -0.215909 -0.093208 0.101012 0.158361 -0.228584 32O 2dxz 0.182379 0.006454 0.024312 -0.185685 0.031024 -0.240132 32O 2dyz 0.241084 -0.259783 -0.125710 0.150989 0.092251 -0.040963 32O 2dx2y2 -0.174817 0.049542 0.064553 -0.021525 -0.073863 0.219105 32O 2dxy -0.348644 0.136572 -0.168168 0.062462 0.008295 0.279051 32O 1f0 0.012692 -0.005382 -0.000425 -0.004424 0.014721 -0.022965 32O 1f+1 -0.005197 0.000923 -0.000445 0.000512 -0.006877 0.010399 32O 1f-1 0.022220 -0.013627 -0.003848 0.000465 0.017540 -0.027679 32O 1f+2 -0.009328 0.006931 0.004026 0.000060 -0.012439 0.012296 32O 1f-2 0.005519 0.003395 0.005304 -0.007773 0.002545 -0.018743 32O 1f+3 -0.005692 -0.000204 -0.001594 0.002056 -0.007709 0.010824 32O 1f-3 -0.000960 -0.000417 -0.005602 0.003022 -0.002290 0.006682 33O 1s -0.000557 -0.000472 -0.003274 0.000303 -0.003583 -0.002912 33O 2s -0.002238 -0.001073 -0.008041 0.001089 -0.013734 -0.006837 33O 3s 0.027700 -0.002571 0.012457 -0.009397 0.112694 -0.002938 33O 4s -0.115659 0.069697 0.178219 0.017002 -0.335194 0.121325 33O 5s -0.604244 -0.229368 -0.877645 0.435742 -0.693500 0.202433 33O 1pz -0.010563 0.009040 -0.012755 -0.009259 -0.026658 0.014217 33O 1px 0.019937 -0.000705 0.008449 -0.040739 -0.010347 -0.011717 33O 1py -0.023849 -0.036314 0.007249 -0.029667 -0.002634 -0.005602 33O 2pz -0.089332 -0.010603 -0.091787 -0.029995 -0.150118 0.021820 33O 2px 0.112521 -0.016137 0.058321 -0.000260 0.156924 -0.052633 33O 2py -0.017055 -0.006097 -0.031911 -0.020034 -0.025487 -0.007660 33O 3pz 0.124572 0.057682 0.528296 0.787967 -0.408305 -0.159331 33O 3px -0.117667 0.112803 0.154327 -0.012559 0.553241 -0.338267 33O 3py 0.189959 0.091750 0.163284 0.512114 -0.149174 -0.164208 33O 1dz2 -0.001662 0.001026 -0.001329 0.001131 0.000777 -0.003220 33O 1dxz 0.000504 -0.001985 -0.000979 0.004166 -0.005405 -0.000756 33O 1dyz -0.001216 0.001574 0.001132 0.002177 -0.001288 -0.004784 33O 1dx2y2 0.000187 -0.001459 0.001452 -0.002020 0.002794 0.001474 33O 1dxy 0.001944 -0.000233 -0.000412 0.001591 -0.002545 -0.000418 33O 2dz2 0.046895 0.165501 -0.054480 0.138266 -0.126338 -0.077127 33O 2dxz 0.065141 -0.029796 -0.091518 -0.138185 0.041546 -0.019841 33O 2dyz -0.060491 -0.117941 0.023585 -0.057172 -0.058276 0.005667 33O 2dx2y2 0.021536 -0.000991 -0.151304 -0.088277 0.034701 0.163340 33O 2dxy 0.044278 0.095769 -0.027488 -0.208108 0.030472 0.107858 33O 1f0 0.000469 -0.004949 0.000408 -0.002124 0.002257 0.000144 33O 1f+1 0.002174 -0.002611 0.000595 -0.000515 0.005359 0.001064 33O 1f-1 -0.000873 0.000529 0.001412 0.000332 0.000197 -0.003218 33O 1f+2 -0.002938 -0.001382 -0.002618 0.002170 -0.006204 0.000509 33O 1f-2 0.002870 0.000073 0.001256 0.002134 0.002458 -0.002136 33O 1f+3 -0.000828 -0.002072 -0.002246 0.002020 -0.002834 -0.000042 33O 1f-3 0.003638 0.002089 -0.000738 -0.001643 -0.000549 0.002799 34O 1s -0.001020 -0.003324 0.000984 -0.001653 -0.003501 -0.000009 34O 2s -0.001814 -0.007740 0.001188 -0.003568 -0.008168 0.001402 34O 3s -0.023635 0.000271 0.025811 -0.020205 -0.002543 -0.042372 34O 4s 0.195133 0.246396 -0.198468 0.159821 0.121570 0.243316 34O 5s 1.047769 -0.889731 0.132906 0.795645 0.040491 0.285368 34O 1pz -0.000078 -0.030911 0.009141 -0.008281 0.003503 0.010335 34O 1px -0.004646 -0.009132 0.012556 0.053459 0.043942 0.021707 34O 1py -0.004966 -0.002074 -0.022075 0.010501 0.013324 -0.017545 34O 2pz 0.020679 -0.029460 0.027341 -0.024123 -0.039433 -0.001433 34O 2px 0.147406 -0.040589 -0.052323 0.104083 0.096104 0.227453 34O 2py -0.066362 0.063193 -0.019640 -0.004759 0.032531 -0.062815 34O 3pz -0.099965 0.119078 -0.270132 0.466254 0.149566 0.015173 34O 3px 0.760132 0.036119 -0.273180 0.570942 -0.148260 -0.077252 34O 3py -0.228264 -0.423423 0.121246 -0.934736 -0.182409 0.054496 34O 1dz2 0.002183 -0.000390 -0.001131 0.001502 0.000133 0.001020 34O 1dxz -0.001605 0.001696 0.001181 -0.000417 0.000220 0.001076 34O 1dyz -0.002002 -0.001161 0.000665 -0.001424 0.004117 -0.001786 34O 1dx2y2 -0.002365 0.001042 0.001644 -0.003931 0.000513 -0.002457 34O 1dxy 0.005571 -0.001936 0.001715 0.002986 -0.000650 -0.001708 34O 2dz2 0.049654 0.182043 0.259734 -0.048043 -0.074201 -0.038837 34O 2dxz -0.018952 -0.021137 0.064747 0.142472 0.096660 0.029345 34O 2dyz 0.004502 -0.011443 -0.138966 0.172320 0.036996 -0.004940 34O 2dx2y2 0.051340 0.058173 0.158998 0.103398 0.111178 0.036971 34O 2dxy -0.045865 -0.150439 0.031795 -0.221816 -0.106379 -0.079874 34O 1f0 0.000559 -0.001299 -0.001234 -0.001940 -0.001965 -0.002744 34O 1f+1 0.000168 0.003261 0.000398 -0.006227 -0.006670 -0.005972 34O 1f-1 -0.000884 -0.001344 0.001167 0.000288 0.002543 0.000125 34O 1f+2 0.000019 0.000175 0.002277 -0.002131 -0.000539 -0.003120 34O 1f-2 0.000218 -0.000812 0.000220 0.003639 0.000936 -0.000771 34O 1f+3 -0.003554 -0.000071 0.000591 -0.007246 -0.004065 -0.004484 34O 1f-3 -0.000321 0.002850 -0.002436 0.004703 0.005824 0.006363 35O 1s -0.000914 0.000727 -0.002245 0.002367 -0.002728 -0.001083 35O 2s -0.001190 0.001640 -0.005194 0.005571 -0.005812 -0.003690 35O 3s -0.015756 0.003305 0.002387 0.014897 -0.017922 0.012734 35O 4s 0.092063 -0.030068 0.175804 -0.169374 0.159503 -0.000261 35O 5s -0.239889 -0.297510 -0.795936 -0.904224 0.627302 0.257767 35O 1pz -0.031131 -0.009786 -0.007800 0.020758 0.002286 0.014095 35O 1px -0.012414 -0.015577 -0.021630 -0.048067 0.045692 0.008523 35O 1py -0.001685 0.009869 0.002389 -0.020205 0.010428 0.006769 35O 2pz -0.040423 -0.011246 -0.058999 0.001789 -0.017248 0.021175 35O 2px -0.050390 -0.024490 -0.091486 -0.143464 0.187245 0.082207 35O 2py -0.040699 -0.020391 -0.065201 -0.048988 0.052660 0.042934 35O 3pz 0.414608 -0.145056 0.507024 -0.719520 0.010210 0.359845 35O 3px 0.586256 -0.328561 0.289892 -0.312889 -0.107256 -0.184335 35O 3py 0.403415 0.131335 0.312720 -0.543872 0.043094 0.198618 35O 1dz2 0.002257 -0.000641 0.000186 -0.001970 -0.001510 0.001627 35O 1dxz -0.003127 0.003222 0.000542 0.002473 0.001265 0.000628 35O 1dyz -0.000663 0.001241 0.000968 0.000016 -0.002552 0.001767 35O 1dx2y2 -0.001622 0.002628 -0.000236 0.001428 -0.000977 -0.001104 35O 1dxy -0.003263 0.000517 0.001752 0.002937 -0.000638 -0.000293 35O 2dz2 0.034087 0.321583 -0.072205 0.148098 -0.056396 -0.015596 35O 2dxz 0.030359 0.045577 0.014751 -0.220688 0.161967 0.137052 35O 2dyz -0.045147 -0.175515 0.033606 0.064288 -0.017182 -0.036665 35O 2dx2y2 0.031800 0.092835 -0.125784 0.028485 0.057038 -0.044164 35O 2dxy 0.039433 0.115294 0.042255 -0.130991 0.117002 0.049371 35O 1f0 0.001531 -0.001227 0.000864 0.001774 -0.004527 -0.003000 35O 1f+1 -0.000263 0.002348 0.002201 0.008281 -0.005961 -0.006929 35O 1f-1 -0.001153 0.001492 0.001181 0.001293 -0.000489 0.002535 35O 1f+2 -0.001439 0.001890 0.001537 -0.003435 0.003133 0.003339 35O 1f-2 -0.001524 -0.000058 -0.000315 0.000406 0.003025 0.001548 35O 1f+3 -0.001361 -0.001552 0.001917 0.002212 -0.001776 -0.000078 35O 1f-3 0.000728 -0.000374 0.001859 0.008444 -0.008209 -0.007736 348 349 350 351 352 353 1.74358 1.75391 1.78784 1.79198 1.80224 1.80850 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s 0.000354 0.001385 -0.000437 0.005739 0.001451 0.001944 0Rh 2s 0.002001 -0.005862 0.001765 -0.022348 -0.001977 -0.007802 0Rh 3s 0.003299 0.004541 -0.001485 0.020021 0.007315 0.006644 0Rh 4s -0.010891 0.028508 -0.008622 0.108012 0.008479 0.037915 0Rh 5s 0.045539 -0.031425 0.009456 -0.095845 0.027864 -0.037457 0Rh 6s -0.140684 -0.052314 0.015214 -0.325986 -0.190704 -0.093713 0Rh 7s 1.344438 0.084005 -0.064614 2.722885 1.508551 0.513111 0Rh 8s -0.489698 -0.231944 -0.018712 -0.139184 -0.298721 -0.267200 0Rh 1pz -0.007288 -0.006178 -0.004217 -0.012969 -0.012315 0.007449 0Rh 1px 0.017521 0.000254 0.003926 0.018138 0.010760 0.017074 0Rh 1py 0.009952 0.005331 -0.013425 0.003056 0.005923 -0.009300 0Rh 2pz 0.023607 0.020341 0.014198 0.044885 0.041268 -0.025441 0Rh 2px -0.057471 -0.000410 -0.013342 -0.063624 -0.035149 -0.058614 0Rh 2py -0.033217 -0.018106 0.045187 -0.010731 -0.019880 0.031753 0Rh 3pz 0.021678 0.010818 0.000735 -0.021840 0.007293 0.005391 0Rh 3px -0.038264 -0.009767 0.001383 0.048412 -0.028223 0.017944 0Rh 3py -0.008766 0.001853 0.002579 0.008067 -0.003636 -0.006384 0Rh 4pz -0.230254 -0.163085 -0.086595 -0.184653 -0.274834 0.131822 0Rh 4px 0.511107 0.042771 0.075460 0.191791 0.339348 0.286768 0Rh 4py 0.235841 0.101820 -0.273266 0.034783 0.137299 -0.166825 0Rh 5pz 0.396834 0.262874 0.129705 0.254664 0.427924 -0.205206 0Rh 5px -0.900528 -0.077704 -0.117888 -0.203562 -0.628149 -0.437439 0Rh 5py -0.373515 -0.155399 0.393456 -0.048252 -0.222275 0.263370 0Rh 6pz -1.261390 -0.782895 -0.429796 0.862048 -1.377782 0.431945 0Rh 6px 1.338227 0.328517 0.229305 -3.383187 1.117374 0.109153 0Rh 6py 0.164387 0.050965 -1.712616 -0.469782 -0.018372 -0.617328 0Rh 1dz2 0.010369 -0.000831 0.002594 -0.003781 0.018253 -0.000291 0Rh 1dxz 0.005522 -0.012514 0.000209 -0.001304 0.014791 -0.012686 0Rh 1dyz 0.005086 0.004380 0.008406 -0.000181 -0.005331 -0.002458 0Rh 1dx2y2 -0.014535 0.012615 -0.004798 0.006700 -0.007013 0.008784 0Rh 1dxy -0.005992 0.001234 0.000330 0.004465 -0.003321 0.007397 0Rh 2dz2 -0.000892 0.000026 -0.000674 -0.000117 -0.002546 0.000900 0Rh 2dxz -0.001223 0.003323 -0.000420 0.000017 -0.004880 0.002023 0Rh 2dyz -0.001703 -0.002965 -0.002023 -0.000082 0.001598 -0.000556 0Rh 2dx2y2 0.000790 -0.003908 0.001010 -0.000175 0.002447 -0.003387 0Rh 2dxy 0.000686 -0.002375 -0.003613 -0.000321 0.000825 -0.001408 0Rh 3dz2 -0.021287 0.002067 -0.003267 0.009964 -0.033727 -0.003020 0Rh 3dxz -0.008484 0.015916 0.001156 0.003467 -0.015445 0.022067 0Rh 3dyz -0.004945 0.002614 -0.011339 0.000950 0.006074 0.008391 0Rh 3dx2y2 0.032085 -0.013507 0.007547 -0.015889 0.006721 -0.006930 0Rh 3dxy 0.011825 0.007422 0.014619 -0.009643 0.004578 -0.011746 0Rh 4dz2 -0.018139 -0.003416 -0.013467 -0.001987 -0.045883 0.010012 0Rh 4dxz -0.013227 0.056973 -0.002953 -0.005094 -0.071357 0.041752 0Rh 4dyz -0.025941 -0.054986 -0.041068 -0.002668 0.027960 -0.004890 0Rh 4dx2y2 0.015570 -0.066796 0.013285 -0.000824 0.035663 -0.051153 0Rh 4dxy 0.008661 -0.037155 -0.045923 -0.004835 0.013265 -0.029824 0Rh 5dz2 0.062524 0.108752 0.080747 0.003608 0.170879 -0.004361 0Rh 5dxz -0.011817 -0.250138 -0.014649 0.054786 0.242274 -0.230976 0Rh 5dyz 0.089010 0.438939 0.239086 0.018599 -0.134836 0.004215 0Rh 5dx2y2 -0.022805 0.309196 -0.016980 -0.010588 -0.131882 0.174004 0Rh 5dxy 0.019024 0.211007 0.143906 0.016478 -0.055305 0.185279 0Rh 1f0 0.018619 0.011777 -0.085331 -0.011407 0.045832 -0.037322 0Rh 1f+1 -0.014305 0.004634 -0.027141 -0.002553 -0.015952 0.025580 0Rh 1f-1 0.016026 -0.049856 -0.159197 -0.032932 -0.056519 -0.008743 0Rh 1f+2 0.063112 0.020051 -0.014251 0.033205 0.143653 -0.086145 0Rh 1f-2 0.057545 0.063710 -0.140442 -0.003256 -0.000195 -0.035812 0Rh 1f+3 -0.029366 -0.052378 0.054245 0.006499 -0.025358 0.041369 0Rh 1f-3 0.014400 -0.009921 -0.074019 -0.016092 0.009620 -0.061202 1Rh 1s -0.000490 -0.001377 -0.000306 -0.005646 0.001829 -0.001957 1Rh 2s 0.005546 0.005691 0.001243 0.022262 -0.003459 0.007817 1Rh 3s 0.000517 -0.004602 -0.001037 -0.019529 0.008626 -0.006708 1Rh 4s -0.028122 -0.027621 -0.006098 -0.107682 0.015652 -0.037978 1Rh 5s 0.064449 0.028953 0.007082 0.098250 0.021322 0.037199 1Rh 6s -0.109487 0.058161 0.008255 0.312340 -0.211446 0.095326 1Rh 7s 1.335956 -0.155866 -0.009866 -2.611958 1.680739 -0.521797 1Rh 8s -0.351935 0.254041 -0.021172 0.114732 -0.319595 0.267811 1Rh 1pz 0.005674 -0.006272 0.004418 -0.011876 0.012841 0.007553 1Rh 1px -0.016436 0.000997 -0.004214 0.017277 -0.012180 0.017220 1Rh 1py -0.010368 0.006653 0.012990 0.002662 -0.006195 -0.009398 1Rh 2pz -0.018314 0.020606 -0.014884 0.041226 -0.043112 -0.025787 1Rh 2px 0.054358 -0.002819 0.014350 -0.060798 0.040123 -0.059098 1Rh 2py 0.034685 -0.022543 -0.043697 -0.009409 0.020837 0.032087 1Rh 3pz -0.018255 0.011970 -0.000615 -0.022543 -0.005933 0.005287 1Rh 3px 0.026505 -0.011971 -0.002134 0.050335 0.024659 0.017732 1Rh 3py 0.007360 0.001217 -0.003020 0.008346 0.002923 -0.006457 1Rh 4pz 0.184648 -0.169462 0.090196 -0.160117 0.280586 0.134565 1Rh 4px -0.445335 0.066726 -0.078562 0.166047 -0.355256 0.290629 1Rh 4py -0.238646 0.131224 0.265971 0.025276 -0.140439 -0.168412 1Rh 5pz -0.320856 0.275135 -0.134862 0.216687 -0.434457 -0.210374 1Rh 5px 0.786170 -0.120793 0.120935 -0.156704 0.646047 -0.443852 1Rh 5py 0.375605 -0.201604 -0.382389 -0.032034 0.227261 0.265292 1Rh 6pz 1.048445 -0.836825 0.427860 0.979435 1.302527 0.430811 1Rh 6px -0.881168 0.390766 -0.161652 -3.448524 -0.890294 0.114325 1Rh 6py -0.137189 0.072902 1.712174 -0.451594 0.030365 -0.634525 1Rh 1dz2 0.015031 0.000263 0.002498 0.004839 0.018015 0.000440 1Rh 1dxz 0.010668 0.012317 -0.000174 0.002207 0.014374 0.012677 1Rh 1dyz 0.006093 -0.004639 0.008309 0.000256 -0.005364 0.002156 1Rh 1dx2y2 -0.022923 -0.011783 -0.004613 -0.007568 -0.006390 -0.008514 1Rh 1dxy -0.008182 -0.000536 0.000182 -0.004804 -0.002766 -0.007327 1Rh 2dz2 -0.002286 0.000014 -0.000635 -0.000014 -0.002553 -0.000922 1Rh 2dxz -0.003021 -0.003299 -0.000369 -0.000366 -0.004830 -0.001977 1Rh 2dyz -0.002200 0.003049 -0.001986 0.000045 0.001546 0.000651 1Rh 2dx2y2 0.003380 0.003833 0.000988 0.000367 0.002338 0.003344 1Rh 2dxy 0.001507 0.002288 -0.003609 0.000316 0.000740 0.001444 1Rh 3dz2 -0.026469 -0.000860 -0.003197 -0.011972 -0.033097 0.002742 1Rh 3dxz -0.013144 -0.015522 0.001881 -0.004197 -0.014627 -0.022240 1Rh 3dyz -0.005183 -0.002346 -0.011258 -0.000966 0.006408 -0.008073 1Rh 3dx2y2 0.041088 0.011796 0.007189 0.017188 0.005661 0.006454 1Rh 3dxy 0.013545 -0.008756 0.014953 0.010498 0.003579 0.011418 1Rh 4dz2 -0.042077 0.004320 -0.012936 -0.000621 -0.046134 -0.010339 1Rh 4dxz -0.042417 -0.056806 -0.002136 0.000251 -0.070622 -0.041141 1Rh 4dyz -0.034349 0.056219 -0.040556 0.002078 0.026657 0.006576 1Rh 4dx2y2 0.059147 0.065432 0.012920 0.003838 0.033885 0.050429 1Rh 4dxy 0.022064 0.035816 -0.045607 0.004936 0.011827 0.030271 1Rh 5dz2 0.169962 -0.112241 0.079053 0.007856 0.174783 0.005128 1Rh 5dxz 0.104540 0.251659 -0.017482 -0.040331 0.239136 0.228483 1Rh 5dyz 0.135343 -0.442631 0.237806 -0.015827 -0.119489 -0.012651 1Rh 5dx2y2 -0.204105 -0.304804 -0.015210 -0.000184 -0.122364 -0.171721 1Rh 5dxy -0.031759 -0.210211 0.141039 -0.016425 -0.047373 -0.187069 1Rh 1f0 -0.015020 0.015118 0.083693 -0.013052 -0.044636 -0.038929 1Rh 1f+1 0.006965 0.005250 0.027683 -0.000078 0.015710 0.024930 1Rh 1f-1 -0.021776 -0.042972 0.157954 -0.025503 0.057634 -0.010219 1Rh 1f+2 -0.066294 0.024351 0.012764 0.021675 -0.143188 -0.085852 1Rh 1f-2 -0.065988 0.070708 0.140634 -0.003362 0.000966 -0.037069 1Rh 1f+3 0.021860 -0.053624 -0.053662 0.009206 0.024535 0.042260 1Rh 1f-3 -0.016909 -0.007395 0.072338 -0.015960 -0.007963 -0.061689 2C 1s -0.003285 0.003647 0.007611 -0.011433 0.015078 0.005572 2C 2s -0.015787 0.015047 0.026593 -0.038667 0.050962 0.020008 2C 3s 0.260797 -0.194068 -0.355963 0.465613 -0.607663 -0.260496 2C 4s -1.004566 0.524279 1.102283 -1.328971 1.647490 0.768373 2C 5s -0.934543 0.737854 0.443782 0.361465 0.195408 0.288531 2C 1pz 0.100860 -0.054584 0.054310 0.087170 -0.178018 -0.115472 2C 1px 0.034949 0.030889 0.085576 -0.002416 0.048137 -0.001419 2C 1py 0.116415 -0.046709 -0.045674 0.025442 0.093465 -0.003849 2C 2pz -0.812597 0.308219 0.075980 -0.547829 0.759984 0.534291 2C 2px -0.185046 0.069374 -0.115419 0.083923 -0.011656 0.032595 2C 2py -0.737158 0.278815 0.381335 -0.207348 -0.164254 0.139678 2C 3pz -0.266886 0.132077 0.210285 -0.073847 0.178325 0.091982 2C 3px 0.011955 0.238467 0.274400 -0.145950 0.256351 0.097623 2C 3py -0.102061 0.109654 0.068766 -0.091053 0.217305 0.119697 2C 1dz2 0.008596 -0.002578 0.008852 0.001589 0.016643 -0.001654 2C 1dxz 0.002212 -0.004534 -0.021495 0.008367 -0.027691 -0.000011 2C 1dyz 0.010239 -0.005767 -0.011107 0.004570 -0.009991 -0.004135 2C 1dx2y2 -0.013221 -0.001400 0.009839 0.002923 -0.014685 -0.004494 2C 1dxy 0.005651 -0.007436 -0.035983 0.000641 0.006392 0.006050 2C 2dz2 -0.264353 0.058011 0.046171 -0.175511 0.131671 0.139386 2C 2dxz -0.169833 0.151100 0.142007 -0.002147 0.056272 0.053234 2C 2dyz -0.402725 0.143202 0.107456 -0.203707 0.158067 0.173077 2C 2dx2y2 0.104953 -0.046516 -0.039312 0.083786 -0.120451 -0.069193 2C 2dxy -0.041124 0.086456 -0.003382 -0.016684 0.186990 0.055758 2C 1f0 -0.003881 -0.005249 0.027538 0.002155 -0.024607 -0.014345 2C 1f+1 0.005927 0.002497 -0.015044 0.000234 0.029114 0.009712 2C 1f-1 0.012662 0.000036 0.020262 -0.009229 0.030393 0.004530 2C 1f+2 -0.013712 0.006061 -0.017615 0.008743 -0.005938 0.002130 2C 1f-2 0.006448 0.001910 0.016559 0.002399 -0.009485 -0.008531 2C 1f+3 -0.017768 0.010635 0.001034 0.018031 -0.039388 -0.007759 2C 1f-3 0.002123 0.001793 -0.009030 0.005929 -0.003707 0.000482 3C 1s -0.002419 -0.008494 -0.011590 -0.008992 0.013867 0.029618 3C 2s -0.012599 -0.027730 -0.041466 -0.030738 0.045398 0.103741 3C 3s 0.249604 0.320764 0.569066 0.387402 -0.548619 -1.299860 3C 4s -0.989869 -0.870814 -1.795262 -1.134586 1.515150 3.788600 3C 5s 0.105002 0.266450 -0.421987 0.328308 -1.196601 0.197416 3C 1pz 0.072254 0.012587 0.039282 0.019544 -0.096423 -0.152300 3C 1px 0.055549 -0.003647 -0.151013 -0.023846 -0.031585 -0.129929 3C 1py -0.082467 -0.027002 -0.090847 -0.054678 0.004465 0.364916 3C 2pz -0.534271 -0.068483 -0.370528 -0.224596 0.358929 0.924702 3C 2px -0.395868 -0.173801 0.234517 0.118668 0.249104 0.718423 3C 2py 0.743265 0.161315 0.788126 0.440647 -0.165292 -1.922900 3C 3pz 0.046829 0.014203 -0.045250 0.005316 -0.152198 0.192422 3C 3px 0.003917 -0.086411 -0.390342 -0.145742 0.091707 0.209812 3C 3py -0.014045 0.015209 0.198510 0.062580 0.033479 -0.453865 3C 1dz2 -0.001797 -0.004793 -0.008778 -0.002859 0.020012 -0.002356 3C 1dxz 0.006590 0.009860 -0.005314 -0.000942 -0.012071 0.002204 3C 1dyz -0.014162 0.006123 -0.003315 0.000563 -0.009440 0.000730 3C 1dx2y2 -0.011304 0.008096 -0.001689 -0.003497 -0.012724 0.015088 3C 1dxy -0.000593 -0.013961 -0.039198 -0.013919 0.006860 0.002086 3C 2dz2 0.074313 0.040604 0.114668 0.033926 0.002915 -0.192549 3C 2dxz -0.107876 -0.080589 -0.255313 -0.058310 0.038249 0.260631 3C 2dyz 0.306607 0.026258 0.202656 0.175637 -0.125959 -0.747620 3C 2dx2y2 0.260601 0.001107 0.170086 0.144848 -0.095107 -0.501807 3C 2dxy 0.261563 0.130601 0.187692 0.025825 -0.146565 -0.458302 3C 1f0 0.011661 0.001418 -0.008973 -0.011105 -0.012678 0.017891 3C 1f+1 -0.003430 -0.003299 0.018913 0.007422 0.012036 0.011490 3C 1f-1 -0.005205 -0.004594 0.017076 0.009139 0.008670 -0.004081 3C 1f+2 -0.014243 0.009270 0.038676 0.024811 -0.025911 0.011770 3C 1f-2 0.003148 0.010263 0.003632 0.002753 -0.027941 -0.005723 3C 1f+3 -0.000927 -0.007083 -0.031526 -0.005659 -0.002319 0.017764 3C 1f-3 0.002389 0.004716 -0.010505 0.002836 -0.011885 -0.008022 4C 1s -0.006853 0.002030 -0.007116 0.000800 -0.008723 0.000060 4C 2s -0.023715 0.006220 -0.022947 0.003235 -0.030452 -0.000555 4C 3s 0.081535 0.084207 0.268579 -0.220800 0.584372 0.153527 4C 4s 0.176070 -0.639608 -0.694903 1.114967 -2.370834 -0.868423 4C 5s 0.384513 -0.825150 0.000111 0.139691 -0.166083 -0.459674 4C 1pz -0.022494 0.003656 -0.144508 0.113224 -0.069644 -0.027947 4C 1px 0.010669 -0.088838 0.178987 -0.271245 0.137066 -0.066890 4C 1py -0.017802 -0.044879 0.010110 -0.040603 -0.032783 0.040059 4C 2pz -0.559141 -0.092407 0.909298 -1.128868 0.438350 0.244282 4C 2px -0.391398 1.084043 -1.385691 2.480984 -0.780011 0.251228 4C 2py -0.461629 0.377273 -0.068484 0.257860 0.104828 0.137694 4C 3pz -0.627023 0.509792 1.051878 -0.466279 1.164774 0.380410 4C 3px -0.515558 -0.318020 -0.875755 0.245997 -0.516936 0.037352 4C 3py -0.524288 0.206314 0.324542 -0.167453 0.586794 0.198641 4C 1dz2 0.012040 -0.004552 -0.009180 -0.004019 0.012503 0.013275 4C 1dxz 0.010377 -0.001976 -0.002882 -0.002781 -0.013776 0.001399 4C 1dyz 0.004079 -0.005930 -0.008292 0.001683 -0.000950 -0.006032 4C 1dx2y2 -0.017125 0.008366 0.008806 0.004017 -0.033586 -0.001131 4C 1dxy 0.005338 0.001802 -0.027230 -0.002100 0.010528 0.007799 4C 2dz2 0.345936 -0.331624 0.032883 -0.357828 -0.021181 -0.077372 4C 2dxz 0.202496 0.532448 -0.235863 0.754988 0.161469 0.052738 4C 2dyz 0.398440 -0.129497 -0.137086 0.145901 -0.072699 -0.138916 4C 2dx2y2 -0.238650 -0.020812 -0.059083 0.048059 -0.047248 0.038562 4C 2dxy -0.074901 0.325186 -0.045260 0.668526 -0.299104 -0.067864 4C 1f0 -0.008247 0.005531 -0.011606 0.002299 0.029842 0.018304 4C 1f+1 -0.007580 0.005879 0.009705 -0.015694 0.022636 0.016063 4C 1f-1 -0.033516 0.009045 0.010282 -0.029593 0.026783 0.023178 4C 1f+2 0.023688 -0.025796 0.015647 -0.001129 -0.014592 -0.007818 4C 1f-2 -0.018233 0.013273 -0.004769 -0.013708 0.013993 0.000134 4C 1f+3 0.002733 -0.013675 0.012834 -0.026249 0.029786 0.017359 4C 1f-3 0.008430 -0.004220 0.017678 -0.020167 0.015144 -0.004735 5C 1s -0.000419 0.006771 0.007500 0.003288 -0.009429 -0.003756 5C 2s -0.002752 0.021844 0.024215 0.011343 -0.033077 -0.014660 5C 3s -0.101087 -0.285682 -0.424044 -0.267716 0.507821 0.906665 5C 4s 0.498015 0.912151 1.574063 1.099073 -1.925115 -4.663598 5C 5s 0.573828 -0.163146 0.182235 -0.003941 0.042843 -0.687018 5C 1pz -0.024915 0.006456 0.124882 0.130709 -0.070600 -0.006313 5C 1px 0.094687 0.003206 -0.157633 -0.289592 0.063500 -0.093647 5C 1py 0.010403 -0.024023 -0.111550 -0.067944 0.111814 -0.033858 5C 2pz -0.069787 0.086056 -0.882318 -1.130437 0.384485 0.344666 5C 2px -1.385775 -0.566182 1.093632 2.754971 -0.402679 1.174707 5C 2py 0.508935 0.051355 0.900394 0.776908 -0.530502 -0.682609 5C 3pz 0.367035 -0.319957 -0.817089 -0.294153 -0.007638 0.783892 5C 3px -0.211271 0.511432 0.611611 0.398455 -0.522714 1.030188 5C 3py -0.403662 0.293521 1.048291 0.298831 0.075416 -1.563837 5C 1dz2 0.001700 -0.006432 0.006337 0.000283 0.009135 0.006159 5C 1dxz 0.007366 -0.001908 -0.013351 -0.007375 -0.005072 0.014227 5C 1dyz -0.008930 0.000145 -0.010107 -0.004081 0.001257 -0.010808 5C 1dx2y2 -0.017353 0.012261 -0.001052 -0.000065 -0.029742 -0.020346 5C 1dxy -0.010202 0.000485 -0.033342 -0.002654 -0.014832 -0.002919 5C 2dz2 0.084829 0.120379 -0.190616 -0.383713 0.091203 0.236497 5C 2dxz -0.064737 -0.208617 0.265858 0.469737 0.194901 0.016510 5C 2dyz -0.422955 -0.255189 -0.167623 0.227832 0.102606 0.739667 5C 2dx2y2 -0.449148 -0.275222 -0.000560 0.471774 -0.119000 0.290181 5C 2dxy 0.048848 0.362734 -0.188655 -0.869375 0.012343 0.071005 5C 1f0 0.001807 0.001807 0.028926 0.029129 -0.003066 -0.045099 5C 1f+1 0.018470 0.010609 -0.027247 -0.029732 0.012034 0.010837 5C 1f-1 0.000035 -0.002649 -0.000541 0.003016 -0.009573 -0.001163 5C 1f+2 0.035156 0.008282 0.002938 -0.001545 -0.020729 -0.089304 5C 1f-2 0.027778 0.015309 0.007441 -0.000962 -0.013543 -0.083237 5C 1f+3 -0.003821 -0.001091 -0.025288 -0.034772 0.017454 0.059791 5C 1f-3 0.007487 0.008471 0.003143 -0.004900 0.007573 -0.042581 6C 1s -0.000530 -0.006750 0.007690 -0.003713 -0.009196 0.003644 6C 2s -0.003174 -0.021699 0.024870 -0.012879 -0.032265 0.014315 6C 3s -0.066330 0.299632 -0.444363 0.287645 0.479565 -0.897141 6C 4s 0.320874 -0.984371 1.665649 -1.170419 -1.798513 4.622350 6C 5s 0.511363 0.119246 0.190428 0.019257 0.067988 0.680264 6C 1pz 0.040855 0.002177 -0.127723 0.134068 0.065803 -0.004598 6C 1px -0.114076 0.013578 0.161305 -0.295360 -0.048794 -0.095758 6C 1py -0.016725 -0.021505 0.112113 -0.073171 -0.109430 -0.035074 6C 2pz 0.007112 0.095063 0.905475 -1.144015 -0.337125 0.328035 6C 2px 1.468778 -0.697846 -1.109203 2.810268 0.303478 1.193482 6C 2py -0.463897 0.079209 -0.921954 0.785196 0.493897 -0.666200 6C 3pz -0.415316 -0.315234 0.832551 -0.288270 0.043787 0.760807 6C 3px 0.201587 0.485926 -0.596042 0.434389 0.496569 1.027518 6C 3py 0.473412 0.302368 -1.077423 0.279770 -0.122304 -1.524438 6C 1dz2 0.002833 0.006454 0.006127 0.000701 0.009627 -0.006380 6C 1dxz 0.006213 0.001080 -0.013614 0.006779 -0.005455 -0.014317 6C 1dyz -0.009680 0.000524 -0.010030 0.003805 0.000898 0.011241 6C 1dx2y2 -0.018155 -0.011228 -0.000605 -0.001895 -0.029697 0.020585 6C 1dxy -0.007542 -0.000293 -0.033443 0.001143 -0.015206 0.003193 6C 2dz2 0.106109 -0.131296 -0.198397 0.388313 0.074788 -0.231166 6C 2dxz -0.070703 0.225661 0.272242 -0.455474 0.206086 -0.022671 6C 2dyz -0.408772 0.294726 -0.178279 -0.234615 0.092426 -0.736312 6C 2dx2y2 -0.463257 0.314832 0.000292 -0.488884 -0.108152 -0.290546 6C 2dxy 0.070585 -0.376394 -0.199713 0.873705 -0.009500 -0.062229 6C 1f0 -0.000063 0.002041 -0.029954 0.029026 0.001640 -0.044569 6C 1f+1 -0.020761 0.011930 0.027232 -0.030216 -0.010980 0.009922 6C 1f-1 0.000517 -0.002445 0.000705 0.003568 0.009697 -0.001133 6C 1f+2 -0.033210 0.011742 -0.004365 -0.001461 0.019176 -0.088780 6C 1f-2 -0.025979 0.018007 -0.009258 -0.001227 0.011328 -0.082764 6C 1f+3 0.000877 -0.001800 0.026412 -0.035714 -0.015225 0.059139 6C 1f-3 -0.005786 0.009567 -0.003963 -0.005290 -0.008348 -0.042504 7C 1s -0.008398 -0.001744 -0.007193 -0.001578 -0.008802 0.000098 7C 2s -0.028750 -0.005228 -0.023213 -0.005903 -0.030716 0.001100 7C 3s 0.167816 -0.075133 0.275620 0.260283 0.591934 -0.160822 7C 4s -0.138179 0.569446 -0.727551 -1.254577 -2.406056 0.893145 7C 5s 0.399120 0.801212 -0.010513 -0.134794 -0.171467 0.453696 7C 1pz 0.034633 0.004061 0.142656 0.122982 0.060639 -0.032584 7C 1px -0.027523 -0.093446 -0.170670 -0.283383 -0.114795 -0.067358 7C 1py 0.016920 -0.046919 -0.006442 -0.037565 0.039290 0.037964 7C 2pz 0.497115 -0.149200 -0.888581 -1.175661 -0.359284 0.267575 7C 2px 0.414744 1.113618 1.294402 2.564501 0.545604 0.263382 7C 2py 0.435516 0.356971 0.043198 0.254038 -0.153065 0.154799 7C 3pz 0.547361 0.484858 -1.050830 -0.543140 -1.164395 0.413145 7C 3px 0.585320 -0.339557 0.854656 0.311269 0.489585 0.028442 7C 3py 0.509459 0.186859 -0.334248 -0.195326 -0.600142 0.216758 7C 1dz2 0.014457 0.003627 -0.009329 0.004980 0.012259 -0.013353 7C 1dxz 0.008971 0.001052 -0.002675 0.002078 -0.014290 -0.001427 7C 1dyz 0.003389 0.005740 -0.008102 -0.002078 -0.000652 0.006494 7C 1dx2y2 -0.018898 -0.007519 0.008983 -0.005919 -0.033996 0.001008 7C 1dxy 0.002850 -0.002622 -0.027799 0.002007 0.009962 -0.007139 7C 2dz2 0.313116 0.319817 0.016572 0.360309 -0.066436 0.086592 7C 2dxz 0.236529 -0.556835 -0.212036 -0.746323 0.239170 -0.058369 7C 2dyz 0.365698 0.100308 -0.141937 -0.148024 -0.080588 0.146574 7C 2dx2y2 -0.246411 0.024612 -0.060041 -0.052107 -0.043285 -0.042587 7C 2dxy -0.065287 -0.335303 -0.026118 -0.686429 -0.239885 0.059914 7C 1f0 0.006349 0.004849 0.011462 0.001874 -0.030773 0.017879 7C 1f+1 0.004816 0.004338 -0.009874 -0.016787 -0.022222 0.015652 7C 1f-1 0.028467 0.005561 -0.010328 -0.030835 -0.026717 0.023389 7C 1f+2 -0.020590 -0.024195 -0.014280 -0.001091 0.017377 -0.008186 7C 1f-2 0.016834 0.011758 0.004318 -0.013839 -0.014334 0.000161 7C 1f+3 -0.003366 -0.014118 -0.011396 -0.028079 -0.026870 0.017191 7C 1f-3 -0.009752 -0.004456 -0.016890 -0.021686 -0.013332 -0.004580 8C 1s -0.001227 0.008897 -0.012323 0.009613 0.013142 -0.029360 8C 2s -0.008303 0.029441 -0.043986 0.032614 0.042792 -0.102780 8C 3s 0.198117 -0.346752 0.599705 -0.406570 -0.515582 1.286881 8C 4s -0.852441 0.959021 -1.882119 1.176750 1.420442 -3.748006 8C 5s 0.163463 -0.243320 -0.415028 -0.410083 -1.208789 -0.169003 8C 1pz -0.068277 0.019838 -0.038857 0.022360 0.095344 -0.150606 8C 1px -0.053382 0.004415 0.148678 -0.020434 0.030490 -0.131405 8C 1py 0.074581 -0.034332 0.098643 -0.051055 0.003764 0.363089 8C 2pz 0.508461 -0.112903 0.377931 -0.226921 -0.344591 0.911792 8C 2px 0.370518 -0.219224 -0.221443 0.106169 -0.237392 0.719596 8C 2py -0.687242 0.218337 -0.829789 0.419861 0.116297 -1.904377 8C 3pz -0.059342 0.013124 0.052185 0.015265 0.156780 0.188431 8C 3px 0.000063 -0.088247 0.396772 -0.145064 -0.078763 0.204885 8C 3py 0.042541 0.023467 -0.204474 0.057283 -0.045893 -0.443074 8C 1dz2 -0.000399 0.005100 -0.008918 0.003836 0.019530 0.002686 8C 1dxz 0.005230 -0.010973 -0.005331 -0.000225 -0.011865 -0.002063 8C 1dyz -0.014905 -0.005348 -0.003147 -0.001463 -0.009047 -0.000440 8C 1dx2y2 -0.012275 -0.007384 -0.002147 0.002216 -0.012938 -0.014713 8C 1dxy 0.002778 0.013818 -0.039599 0.014008 0.005387 -0.001812 8C 2dz2 0.066512 -0.045840 0.118061 -0.029977 0.009499 0.191565 8C 2dxz -0.096463 0.086572 -0.260307 0.053172 0.028945 -0.257113 8C 2dyz 0.285790 -0.051453 0.217074 -0.172704 -0.109366 0.741157 8C 2dx2y2 0.245799 -0.021841 0.179830 -0.142423 -0.084827 0.496130 8C 2dxy 0.245841 -0.154091 0.196156 -0.026175 -0.135323 0.453601 8C 1f0 -0.011773 0.002461 0.009524 -0.010259 0.013742 0.017948 8C 1f+1 0.003464 -0.004077 -0.018839 0.006589 -0.011886 0.011705 8C 1f-1 0.005907 -0.005228 -0.017450 0.008269 -0.009698 -0.003848 8C 1f+2 0.015236 0.007421 -0.038948 0.026170 0.025282 0.012089 8C 1f-2 -0.002698 0.010603 -0.004248 0.004404 0.028050 -0.005655 8C 1f+3 0.000799 -0.006414 0.031829 -0.004496 0.003115 0.017551 8C 1f-3 -0.000862 0.005437 0.010339 0.003955 0.011744 -0.008158 9C 1s -0.000919 -0.002970 0.007743 0.012549 0.015007 -0.005843 9C 2s -0.007743 -0.012480 0.027091 0.042362 0.050827 -0.020975 9C 3s 0.165257 0.159404 -0.362953 -0.509593 -0.606936 0.274279 9C 4s -0.745525 -0.413984 1.123978 1.448544 1.646047 -0.814827 9C 5s -0.979143 -0.737081 0.451555 -0.371919 0.225295 -0.306612 9C 1pz -0.089483 -0.047929 -0.053607 0.093007 0.178700 -0.115287 9C 1px -0.029552 0.034834 -0.088342 -0.008276 -0.041099 0.000005 9C 1py -0.112577 -0.036401 0.048520 0.020157 -0.092030 -0.005471 9C 2pz 0.738675 0.252418 -0.082225 -0.578268 -0.761043 0.546980 9C 2px 0.132998 0.051511 0.120685 0.089589 -0.027195 0.035359 9C 2py 0.691262 0.220964 -0.396803 -0.200642 0.153313 0.155972 9C 3pz 0.254937 0.115553 -0.211329 -0.080283 -0.179291 0.096881 9C 3px -0.006237 0.237137 -0.278956 -0.168210 -0.249993 0.103060 9C 3py 0.091944 0.112176 -0.070821 -0.106214 -0.222318 0.126090 9C 1dz2 0.010321 0.002237 0.008519 -0.000394 0.016634 0.001783 9C 1dxz -0.003085 0.004088 -0.020607 -0.010681 -0.027846 0.000653 9C 1dyz 0.010231 0.005126 -0.011187 -0.005225 -0.009735 0.004506 9C 1dx2y2 -0.012902 0.002636 0.010331 -0.003758 -0.014342 0.004413 9C 1dxy 0.002220 0.006542 -0.035997 -0.001554 0.006128 -0.005182 9C 2dz2 -0.244812 -0.036385 0.046548 0.178744 0.129903 -0.142217 9C 2dxz -0.148619 -0.140634 0.147532 0.007051 0.062585 -0.058369 9C 2dyz -0.368050 -0.111613 0.114154 0.210439 0.163106 -0.181654 9C 2dx2y2 0.096327 0.041555 -0.039590 -0.091394 -0.120444 0.073185 9C 2dxy -0.024115 -0.084936 -0.002855 0.025672 0.190522 -0.057193 9C 1f0 0.002322 -0.006625 -0.027960 0.002710 0.024494 -0.014136 9C 1f+1 -0.007280 0.002803 0.015003 -0.000598 -0.029514 0.009302 9C 1f-1 -0.014369 0.000952 -0.019953 -0.011822 -0.029461 0.005308 9C 1f+2 0.017399 0.005981 0.018031 0.010436 0.005988 0.001585 9C 1f-2 -0.006443 0.002263 -0.017411 0.001928 0.009102 -0.007781 9C 1f+3 0.018836 0.009729 -0.002539 0.020125 0.037794 -0.007637 9C 1f-3 -0.003171 0.001910 0.009180 0.006638 0.003231 0.000233 10H 1s 0.014597 -0.014444 0.030047 0.026600 -0.019715 -0.027582 10H 2s -0.175690 0.106983 -0.058956 -0.025396 0.062815 0.107067 10H 3s 0.067215 -0.180183 0.013921 -0.103137 0.034633 -0.059031 10H 1pz -0.041504 0.042791 0.143919 -0.057640 0.090662 0.018865 10H 1px 0.012367 0.000938 0.068849 -0.008243 0.058200 0.003953 10H 1py -0.032370 0.016444 0.057070 -0.042708 0.145410 0.057569 11H 1s 0.007931 -0.011598 0.048983 0.012471 -0.075315 -0.024664 11H 2s -0.053651 -0.025075 -0.428690 -0.011325 0.247283 0.120628 11H 3s 0.002383 0.045001 0.260812 -0.173825 0.060855 0.019014 11H 1pz -0.072606 0.030187 -0.026006 -0.040017 0.043560 0.057829 11H 1px 0.008358 0.005733 0.019665 0.006474 0.092324 0.022819 11H 1py -0.049796 0.027668 0.056000 -0.051154 0.124799 0.081043 12H 1s 0.050613 -0.020033 -0.051483 -0.022167 0.066615 0.014475 12H 2s -0.334219 0.041551 0.048718 0.137291 -0.614020 -0.104839 12H 3s 0.169227 -0.016693 -0.082304 -0.221196 0.397836 0.111964 12H 1pz -0.048002 0.047732 0.006027 -0.054763 -0.002293 -0.003239 12H 1px -0.019159 0.005289 0.020718 0.027697 -0.040322 -0.030256 12H 1py -0.060899 0.026706 -0.000012 -0.006957 -0.037986 0.006705 13H 1s 0.004538 -0.022256 0.032570 0.022877 0.029512 -0.033421 13H 2s -0.113005 0.084958 -0.277299 -0.032473 -0.190730 0.032886 13H 3s 0.110593 -0.095090 0.148898 -0.082167 0.204090 0.189167 13H 1pz -0.032482 -0.009832 -0.089586 -0.034000 -0.000560 0.089034 13H 1px -0.005870 -0.043649 -0.083281 -0.019922 0.065172 0.110959 13H 1py 0.016004 0.060228 0.166881 0.071625 -0.117933 -0.119160 14H 1s 0.031073 0.020428 -0.060997 -0.036209 -0.042344 -0.029699 14H 2s -0.245599 0.081208 0.531712 0.200157 0.076011 0.076321 14H 3s 0.056962 -0.076179 -0.315088 -0.183836 0.131890 0.324340 14H 1pz -0.046461 -0.014807 0.004639 -0.017846 0.016124 0.099128 14H 1px -0.034754 0.010671 0.034786 0.033310 0.008528 0.014093 14H 1py 0.066978 0.001057 0.031953 0.043714 -0.073763 -0.188054 15H 1s 0.003572 0.003995 0.027270 0.015689 0.021682 -0.085983 15H 2s -0.042514 0.085033 0.035631 0.001921 -0.278021 0.334563 15H 3s -0.040780 -0.095770 -0.104900 -0.121226 0.386784 0.288667 15H 1pz -0.065084 -0.035405 -0.046355 -0.031635 0.033973 0.149140 15H 1px 0.004961 -0.058873 -0.136959 -0.023062 0.009927 0.046290 15H 1py 0.077953 0.008284 0.018391 0.022220 0.010348 -0.171910 16H 1s -0.038907 0.111028 -0.016750 -0.039812 -0.102548 0.064186 16H 2s 0.273117 -0.265967 0.128639 0.174485 0.383877 -0.170734 16H 3s 0.079537 0.162062 -0.004541 0.082845 -0.211046 0.135088 16H 1pz -0.137313 -0.243466 -0.020170 0.027031 0.155923 -0.080732 16H 1px -0.226276 -0.270872 -0.021831 0.032560 0.100015 -0.036201 16H 1py 0.286389 0.241109 0.040623 0.034865 -0.103183 -0.010269 17H 1s -0.105535 0.060555 -0.024256 -0.030222 -0.100254 0.035037 17H 2s 0.395178 -0.278740 0.106696 0.069847 0.392774 -0.003573 17H 3s -0.242291 -0.066427 -0.026209 0.115290 -0.038647 -0.054032 17H 1pz -0.353376 -0.296774 -0.062690 -0.026869 0.118493 -0.022939 17H 1px 0.012064 0.051549 0.006356 0.010196 -0.071506 -0.032132 17H 1py -0.173931 -0.341753 -0.025782 0.037667 0.167425 -0.067703 18H 1s -0.168899 -0.053565 -0.024842 0.022792 -0.102159 -0.034759 18H 2s 0.608981 0.253961 0.108662 -0.044273 0.403278 0.002712 18H 3s -0.270696 0.081925 -0.024983 -0.119932 -0.027253 0.051160 18H 1pz 0.396420 -0.310248 0.067457 -0.027309 -0.112551 -0.020039 18H 1px -0.020301 0.056268 -0.009321 0.012761 0.070842 -0.030734 18H 1py 0.124863 -0.358954 0.030852 0.031040 -0.170336 -0.065182 19H 1s -0.100542 -0.109031 -0.014656 0.032088 -0.104248 -0.062989 19H 2s 0.468333 0.256123 0.118285 -0.141908 0.390663 0.163903 19H 3s 0.062656 -0.169019 -0.000719 -0.095040 -0.203444 -0.129661 19H 1pz 0.113718 -0.259340 0.023770 0.018668 -0.159618 -0.078204 19H 1px 0.197386 -0.284518 0.027422 0.030586 -0.100440 -0.034480 19H 1py -0.335387 0.251110 -0.043181 0.035423 0.097708 -0.012760 20H 1s -0.001217 -0.004861 0.030436 -0.013516 0.025403 0.085482 20H 2s -0.038579 -0.082633 0.025388 -0.020883 -0.290832 -0.336184 20H 3s -0.036351 0.100143 -0.107897 0.142658 0.383381 -0.285854 20H 1pz 0.063416 -0.041034 0.050234 -0.032229 -0.030801 0.147844 20H 1px -0.016056 -0.056982 0.136628 -0.021678 -0.005934 0.044719 20H 1py -0.076135 0.014904 -0.022293 0.019712 -0.014488 -0.171229 21H 1s 0.026449 -0.025590 -0.061477 0.032331 -0.042973 0.030528 21H 2s -0.250733 -0.049503 0.536897 -0.190022 0.085446 -0.081331 21H 3s 0.053839 0.065836 -0.327383 0.186362 0.122066 -0.322686 21H 1pz 0.047029 -0.018839 -0.003175 -0.017457 -0.012917 0.098180 21H 1px 0.031530 0.006549 -0.034670 0.032833 -0.010874 0.013774 21H 1py -0.065614 0.007349 -0.036835 0.044879 0.070608 -0.185951 22H 1s 0.007488 0.022965 0.032215 -0.019560 0.029788 0.032071 22H 2s -0.117823 -0.084221 -0.270999 0.010121 -0.190906 -0.027050 22H 3s 0.118411 0.091294 0.141120 0.101530 0.197846 -0.190791 22H 1pz 0.027177 -0.012201 0.092122 -0.032361 0.003481 0.087632 22H 1px -0.005765 -0.045453 0.086245 -0.023099 -0.063401 0.109724 22H 1py -0.001312 0.062323 -0.168707 0.075886 0.113002 -0.116566 23H 1s 0.043998 0.014869 -0.052684 0.024916 0.063151 -0.013580 23H 2s -0.345424 -0.014163 0.055436 -0.175494 -0.597658 0.104577 23H 3s 0.182064 0.008892 -0.082052 0.248697 0.390401 -0.112863 23H 1pz 0.044343 0.044578 -0.010347 -0.055535 0.000339 -0.000519 23H 1px 0.016586 0.005342 -0.025099 0.028298 0.037085 -0.028817 23H 1py 0.059698 0.022089 -0.001204 -0.003541 0.036127 0.006858 24H 1s 0.001055 0.011569 0.050503 -0.014885 -0.078480 0.024180 24H 2s -0.054653 0.024666 -0.439163 0.008347 0.259219 -0.112809 24H 3s 0.010089 -0.030333 0.267042 0.185365 0.049502 -0.022289 24H 1pz 0.069426 0.024657 0.024998 -0.039781 -0.045347 0.057326 24H 1px -0.017170 0.006032 -0.015783 0.001964 -0.089915 0.022803 24H 1py 0.037647 0.022122 -0.054857 -0.057712 -0.123900 0.082297 25H 1s 0.022390 0.014760 0.029133 -0.025851 -0.015511 0.026421 25H 2s -0.208401 -0.107408 -0.053951 0.021251 0.046967 -0.105262 25H 3s 0.102592 0.189075 0.006068 0.108744 0.035878 0.059626 25H 1pz 0.023021 0.038147 -0.143310 -0.067090 -0.088432 0.023830 25H 1px -0.028318 -0.000582 -0.069195 -0.014198 -0.059026 0.006126 25H 1py 0.017890 0.013378 -0.058378 -0.052149 -0.146698 0.059894 26O 1s 0.001683 -0.001887 0.000261 0.002345 -0.003438 -0.002659 26O 2s 0.006302 -0.006780 0.004751 0.001653 -0.005929 -0.007250 26O 3s -0.053719 0.061222 -0.093052 0.108079 -0.058196 0.018065 26O 4s 0.201190 -0.201099 0.382399 -0.589223 0.433003 0.050457 26O 5s 0.504623 -0.924349 0.574984 -2.310400 0.407892 -0.097363 26O 1pz -0.033257 -0.019106 -0.032519 -0.006806 -0.033251 0.008165 26O 1px 0.012250 0.000700 0.008981 -0.007037 0.018566 -0.023715 26O 1py 0.013101 0.000628 -0.038717 -0.003486 -0.025730 -0.004101 26O 2pz -0.014782 0.055183 0.032053 0.068203 0.008111 0.012757 26O 2px -0.065196 0.283316 -0.220102 0.530141 -0.215460 -0.005444 26O 2py -0.029367 0.135317 -0.070388 0.239271 -0.043232 0.027555 26O 3pz -0.269508 -0.565112 -0.689111 -0.147080 -0.719363 -0.211723 26O 3px -0.689327 0.140199 -0.617536 1.387775 -0.803895 0.012358 26O 3py -0.469797 -0.353523 -0.581018 0.359174 -0.714235 -0.044348 26O 1dz2 0.001713 -0.003671 0.002638 -0.006090 0.001385 0.001676 26O 1dxz -0.003496 -0.001565 -0.001030 0.006552 -0.002604 0.001406 26O 1dyz 0.000817 -0.001248 -0.001814 -0.002117 -0.002046 -0.003740 26O 1dx2y2 -0.000993 0.002962 -0.001332 0.001785 -0.000939 0.000908 26O 1dxy -0.002362 0.001748 -0.002145 0.005296 -0.004933 0.000862 26O 2dz2 0.019791 0.029774 -0.067189 0.066098 0.078258 0.020972 26O 2dxz 0.067117 0.062731 0.151894 0.148236 0.229754 0.086743 26O 2dyz -0.005837 0.001842 0.077510 -0.144524 0.034471 -0.080509 26O 2dx2y2 -0.012462 -0.078471 -0.115242 -0.292759 0.103760 0.043507 26O 2dxy -0.050830 -0.022480 0.182398 -0.159414 0.015007 0.012475 26O 1f0 0.001130 0.000641 0.002426 -0.001528 0.006892 -0.001803 26O 1f+1 0.001975 -0.003094 0.007342 -0.012363 0.010062 -0.001351 26O 1f-1 0.002530 -0.002099 0.003833 0.001794 0.004399 0.001313 26O 1f+2 0.000197 -0.000984 -0.006484 -0.002089 -0.003892 -0.001912 26O 1f-2 0.001178 0.002339 -0.004218 0.005609 -0.003354 0.000909 26O 1f+3 0.002041 -0.003392 0.000262 -0.006237 0.003623 0.000003 26O 1f-3 0.000567 -0.007365 0.014546 -0.018365 0.011664 0.001875 27O 1s 0.002797 0.001093 0.001967 0.000783 -0.002035 -0.008105 27O 2s 0.012042 0.005573 0.001665 -0.003336 -0.003704 -0.022708 27O 3s -0.119353 -0.062969 0.072666 0.138770 -0.027813 0.065116 27O 4s 0.406452 0.250147 -0.412951 -0.641338 0.204861 0.056927 27O 5s 0.681777 0.141881 -0.522149 -2.722588 0.736060 -0.167541 27O 1pz -0.006247 -0.006082 0.006543 0.004941 -0.036191 -0.006213 27O 1px -0.015392 -0.026259 0.002205 -0.007898 0.015539 -0.053314 27O 1py 0.024504 0.005685 -0.043680 0.000605 0.047310 -0.001660 27O 2pz 0.011831 0.002534 -0.060630 -0.028886 -0.002352 0.009643 27O 2px -0.232903 -0.148623 0.239595 0.643361 -0.118233 -0.043810 27O 2py 0.045548 0.028816 0.003098 -0.140915 0.012559 0.002366 27O 3pz 0.058045 0.431050 0.409699 -0.317056 -0.121756 -0.019379 27O 3px -0.792612 -0.031002 0.765271 1.519505 -0.914037 0.074144 27O 3py 0.299961 -0.426826 -0.771561 -0.032459 0.593065 0.118530 27O 1dz2 0.002761 0.000608 -0.004063 -0.004074 0.002188 0.001607 27O 1dxz -0.000331 0.000662 -0.000020 0.002364 -0.002663 -0.001016 27O 1dyz -0.002412 0.000917 -0.000666 0.005653 -0.000545 0.005209 27O 1dx2y2 -0.004192 -0.000274 0.001487 0.006411 -0.001165 0.003168 27O 1dxy 0.003724 0.000019 -0.001961 -0.006064 0.007614 0.002797 27O 2dz2 -0.031259 -0.023223 0.066825 0.186336 0.046845 -0.045400 27O 2dxz -0.011988 -0.064881 -0.041771 0.137646 0.114441 -0.078709 27O 2dyz -0.049364 -0.124858 -0.070493 0.191053 -0.084766 0.022313 27O 2dx2y2 0.054960 0.097857 0.006355 -0.244299 0.055242 0.117972 27O 2dxy -0.099843 0.013799 0.287083 0.043919 -0.011027 0.070263 27O 1f0 -0.001543 -0.002644 0.000458 -0.000673 0.002037 -0.000992 27O 1f+1 0.005394 -0.000317 -0.008310 -0.015873 0.006319 0.003187 27O 1f-1 -0.001212 -0.001734 -0.000095 0.001595 -0.001216 0.000266 27O 1f+2 0.000200 -0.000581 -0.000491 -0.008614 0.000727 0.001003 27O 1f-2 0.001404 0.002768 0.001185 -0.003216 -0.000949 -0.000382 27O 1f+3 0.007410 -0.000538 -0.009856 -0.015185 0.005991 0.004943 27O 1f-3 -0.004095 0.000756 0.015239 0.011723 -0.004746 -0.004815 28O 1s 0.002390 -0.001110 -0.002457 0.002255 -0.003056 0.000364 28O 2s 0.006496 0.000739 -0.010737 0.010662 -0.008942 0.001376 28O 3s -0.018248 -0.085829 0.102474 -0.129969 0.025491 -0.015023 28O 4s 0.009230 0.500494 -0.217986 0.472971 0.120642 0.028619 28O 5s 0.261992 0.490174 -1.480895 2.184001 -0.572320 0.287063 28O 1pz 0.002063 -0.041397 -0.012754 0.028779 -0.009767 -0.012440 28O 1px -0.042410 0.023971 -0.026305 -0.034343 0.001896 -0.010269 28O 1py -0.028976 -0.011337 0.015034 0.004058 -0.039127 -0.003849 28O 2pz -0.046851 -0.218663 0.127233 -0.334012 -0.027802 -0.049776 28O 2px -0.017875 0.267704 -0.196758 0.379920 -0.025816 0.037195 28O 2py -0.041821 -0.032341 0.000949 -0.057353 -0.016855 -0.008903 28O 3pz -0.100979 0.002821 0.680203 -0.441774 0.084665 -0.094521 28O 3px 0.287378 0.343189 -0.516579 1.248081 0.134912 0.157038 28O 3py 0.062031 0.076144 0.193386 0.201792 -0.107767 0.009669 28O 1dz2 -0.000716 -0.000938 0.000253 -0.000767 0.000570 0.000648 28O 1dxz 0.002998 0.002119 -0.005600 0.007305 0.001451 0.002962 28O 1dyz 0.001298 0.000158 0.002807 0.004405 -0.002142 -0.000699 28O 1dx2y2 0.000679 -0.002026 0.000532 -0.001953 0.004698 0.003612 28O 1dxy 0.002926 0.000496 -0.000505 0.005707 0.001640 0.000675 28O 2dz2 -0.057150 0.013884 -0.078549 0.011228 -0.180414 -0.019949 28O 2dxz 0.086030 -0.128078 0.109225 -0.122359 0.101459 0.026912 28O 2dyz 0.034059 0.073898 -0.184067 0.147120 -0.013243 0.039048 28O 2dx2y2 -0.074869 0.117375 0.014655 0.186956 0.190099 0.104648 28O 2dxy 0.000418 0.036160 0.152286 0.152904 -0.021402 0.028800 28O 1f0 -0.002044 0.003798 -0.002436 0.005970 -0.004798 -0.000645 28O 1f+1 -0.002924 0.006016 -0.005964 0.006697 -0.006128 -0.000466 28O 1f-1 -0.000302 -0.003562 0.002135 -0.007904 -0.001300 -0.003038 28O 1f+2 0.001243 -0.006484 0.013495 -0.010401 0.000387 -0.003289 28O 1f-2 -0.000260 0.002095 -0.004844 0.001251 -0.001456 0.000042 28O 1f+3 0.000544 -0.004451 0.006670 -0.008184 -0.002047 -0.003324 28O 1f-3 0.000639 0.000289 -0.004888 -0.000239 0.002511 0.003936 29O 1s -0.006831 -0.000906 -0.000384 0.004333 -0.006254 0.000898 29O 2s -0.020328 0.000842 -0.001550 0.009495 -0.019972 0.004404 29O 3s 0.094396 -0.084575 0.016012 0.026363 0.124608 -0.060017 29O 4s 0.091162 0.439131 -0.036818 -0.425670 -0.093483 0.239217 29O 5s -1.084036 -0.390888 -0.096856 1.070254 -0.840823 -0.206863 29O 1pz 0.054246 0.058665 0.013959 -0.003893 -0.022352 0.020247 29O 1px 0.026684 0.028931 -0.003260 -0.036665 -0.001472 0.011799 29O 1py -0.028775 0.050669 -0.008283 -0.047051 -0.032907 0.005438 29O 2pz -0.061819 -0.084862 -0.016066 0.003540 0.054083 -0.068261 29O 2px -0.090666 -0.003576 -0.003523 0.034311 -0.060907 -0.005794 29O 2py 0.081879 -0.112997 0.016193 0.057600 0.117756 -0.057943 29O 3pz 0.229166 0.279752 0.103401 0.255987 -0.169333 -0.057792 29O 3px 0.438727 0.472303 -0.043145 -0.483423 0.199059 0.122641 29O 3py 0.154306 -0.010678 0.152756 -0.000331 0.141011 0.153794 29O 1dz2 -0.004035 -0.001053 -0.001317 -0.000530 -0.001246 -0.000951 29O 1dxz -0.000832 0.000978 -0.000311 -0.001429 -0.002079 0.000901 29O 1dyz -0.004398 -0.005640 -0.001214 0.000199 0.002784 -0.000805 29O 1dx2y2 0.004667 -0.001391 0.000367 0.000320 0.002710 -0.000003 29O 1dxy -0.001842 -0.002095 0.001647 0.000481 0.002214 -0.001203 29O 2dz2 0.015652 0.173118 -0.022927 -0.051301 -0.076568 0.004597 29O 2dxz -0.091581 0.011546 -0.039105 -0.050602 -0.057310 0.070022 29O 2dyz 0.129734 0.118465 0.001378 -0.042805 -0.063456 0.101624 29O 2dx2y2 -0.019817 -0.114153 0.037405 0.016939 0.025332 0.000347 29O 2dxy 0.041786 -0.037638 0.015542 0.056510 0.001031 -0.057664 29O 1f0 0.008694 -0.010051 0.001776 0.004404 0.012276 -0.005647 29O 1f+1 -0.004820 0.004548 -0.000958 -0.001686 -0.005894 0.001291 29O 1f-1 0.002194 -0.014746 0.001849 0.004758 0.011764 -0.008617 29O 1f+2 -0.004408 0.005661 -0.000250 -0.003046 -0.007754 0.003725 29O 1f-2 0.010819 -0.002392 0.001605 0.002717 0.005924 -0.001585 29O 1f+3 -0.008311 0.003385 -0.001016 -0.002629 -0.006134 0.001463 29O 1f-3 -0.005971 0.000719 -0.002720 -0.001985 -0.004328 0.000344 30O 1s 0.000167 0.002209 0.003706 0.001122 -0.005004 -0.003726 30O 2s -0.001831 0.004525 0.013890 0.008098 -0.014549 -0.008442 30O 3s 0.052774 0.025309 -0.104220 -0.136476 0.046162 -0.038506 30O 4s -0.192463 -0.230421 0.186840 0.566483 0.149074 0.302306 30O 5s -0.991161 -0.564752 1.288330 2.338180 -0.301645 1.513872 30O 1pz 0.020662 -0.013904 0.018249 0.024492 0.003489 -0.041736 30O 1px -0.040437 -0.014814 0.014444 -0.004699 -0.011690 0.061424 30O 1py -0.014794 -0.005262 0.004488 -0.026155 0.031320 0.011428 30O 2pz 0.096443 0.108310 -0.079391 -0.279922 -0.017817 -0.180591 30O 2px -0.182328 -0.154088 0.169662 0.386917 -0.003954 0.252640 30O 2py -0.082480 -0.117474 0.082247 0.304189 0.009977 0.193526 30O 3pz 0.011523 -0.026367 -0.407663 -0.556721 -0.134293 -0.497950 30O 3px -0.128786 -0.461626 0.354230 1.269614 0.096868 0.343103 30O 3py -0.172018 0.355669 0.428179 0.473218 0.258716 0.605471 30O 1dz2 -0.001707 -0.000287 0.001819 -0.003441 0.001185 -0.000998 30O 1dxz -0.000354 -0.001238 0.004367 0.005846 0.001388 0.002377 30O 1dyz -0.001373 -0.003565 0.001483 -0.000406 0.000079 0.004143 30O 1dx2y2 0.000323 -0.000567 -0.000606 -0.000165 0.004359 0.003041 30O 1dxy -0.000299 0.000531 -0.002439 -0.009769 -0.001233 -0.004241 30O 2dz2 0.014757 0.127353 -0.096954 -0.205723 0.004523 -0.056326 30O 2dxz 0.085881 0.088122 0.040568 -0.137157 0.072750 -0.227911 30O 2dyz 0.088307 -0.033261 -0.118832 -0.198294 0.105915 -0.085169 30O 2dx2y2 0.020751 -0.114520 -0.219157 0.125577 0.096527 0.199500 30O 2dxy -0.141009 -0.000361 0.108690 0.059641 0.039516 0.094249 30O 1f0 -0.005127 -0.001479 0.004808 0.014826 -0.002018 0.013618 30O 1f+1 -0.001603 0.002747 -0.001934 0.000230 -0.003083 0.002753 30O 1f-1 -0.002583 -0.000698 0.002964 0.002041 0.001633 0.001272 30O 1f+2 0.000530 0.002878 -0.002084 -0.000869 0.000683 -0.003935 30O 1f-2 0.007111 0.004477 -0.010205 -0.011512 0.003636 -0.012062 30O 1f+3 -0.002048 0.000240 0.005299 -0.002616 -0.000643 0.001153 30O 1f-3 0.006041 0.001417 -0.008427 -0.009102 -0.002725 -0.013787 31O 1s -0.000413 -0.002223 0.003800 -0.001349 -0.004872 0.003602 31O 2s -0.003334 -0.004269 0.014185 -0.008803 -0.014105 0.008047 31O 3s 0.057237 -0.032342 -0.105411 0.139723 0.043250 0.040617 31O 4s -0.193896 0.261165 0.188154 -0.564327 0.154172 -0.304285 31O 5s -1.029392 0.649638 1.293119 -2.363782 -0.222218 -1.544414 31O 1pz -0.021106 -0.012667 -0.019194 0.023234 -0.006427 -0.041757 31O 1px 0.038816 -0.018062 -0.012316 -0.003550 0.015195 0.061608 31O 1py 0.013288 -0.007743 -0.003826 -0.027483 -0.028884 0.011255 31O 2pz -0.112523 0.121321 0.080285 -0.281774 0.022744 -0.182382 31O 2px 0.198995 -0.175571 -0.169697 0.391104 -0.001582 0.255015 31O 2py 0.101769 -0.130203 -0.083093 0.305878 -0.015905 0.195254 31O 3pz 0.033129 -0.019489 0.404382 -0.550010 0.166577 -0.502999 31O 3px 0.082361 -0.481767 -0.370926 1.264798 -0.151147 0.355532 31O 3py 0.148700 0.337957 -0.424977 0.464675 -0.288508 0.609166 31O 1dz2 -0.001813 0.000447 0.001802 0.003496 0.000913 0.001023 31O 1dxz -0.000653 0.001355 0.004423 -0.005731 0.001668 -0.002480 31O 1dyz -0.000583 0.003598 0.001341 0.000377 -0.000054 -0.004172 31O 1dx2y2 0.001383 0.000533 -0.000584 0.000422 0.004498 -0.003061 31O 1dxy 0.000235 -0.000669 -0.002535 0.009715 -0.001693 0.004321 31O 2dz2 -0.000555 -0.135519 -0.099887 0.201698 -0.006214 0.058777 31O 2dxz 0.077015 -0.096374 0.044219 0.144856 0.073171 0.226908 31O 2dyz 0.086000 0.024269 -0.122137 0.206962 0.099998 0.086108 31O 2dx2y2 0.042431 0.115349 -0.218354 -0.122179 0.100471 -0.199331 31O 2dxy -0.148505 0.012031 0.106129 -0.059155 0.036905 -0.094872 31O 1f0 0.006326 -0.002177 -0.004817 0.015108 0.001549 0.013675 31O 1f+1 0.002247 0.002680 0.001977 0.000531 0.003117 0.002751 31O 1f-1 0.002669 -0.001084 -0.003029 0.001964 -0.001646 0.001276 31O 1f+2 -0.000301 0.002863 0.001927 -0.000930 -0.000842 -0.003983 31O 1f-2 -0.007910 0.005281 0.010105 -0.011877 -0.003610 -0.012163 31O 1f+3 0.002217 0.000021 -0.005200 -0.002585 0.000872 0.001092 31O 1f-3 -0.006814 0.002117 0.008353 -0.009017 0.002952 -0.013849 32O 1s -0.006291 0.001275 -0.000296 -0.004745 -0.005971 -0.000886 32O 2s -0.021296 0.000277 -0.001309 -0.010837 -0.019308 -0.004335 32O 3s 0.156524 0.078902 0.015199 -0.017447 0.125102 0.058938 32O 4s -0.227396 -0.440627 -0.039823 0.416854 -0.115975 -0.235968 32O 5s -0.788998 0.441634 -0.076112 -1.126761 -0.775779 0.208857 32O 1pz -0.057679 0.061325 -0.015748 -0.002944 0.021086 0.019664 32O 1px -0.019530 0.029971 0.003136 -0.036284 0.002385 0.010864 32O 1py 0.063657 0.050308 0.007652 -0.044168 0.035911 0.004983 32O 2pz 0.058444 -0.087320 0.018782 -0.001004 -0.050970 -0.065255 32O 2px 0.104732 -0.007851 0.003367 0.037880 0.059609 -0.004851 32O 2py -0.160218 -0.110029 -0.015160 0.049128 -0.121221 -0.058219 32O 3pz -0.313685 0.294500 -0.106079 0.254348 0.161190 -0.060309 32O 3px -0.164236 0.492113 0.047953 -0.498867 -0.164071 0.120563 32O 3py -0.148519 0.004677 -0.151371 -0.011008 -0.138118 0.156680 32O 1dz2 -0.004364 0.001037 -0.001304 0.000358 -0.001479 0.000853 32O 1dxz -0.001349 -0.000988 -0.000280 0.001317 -0.002215 -0.000924 32O 1dyz -0.004470 0.005988 -0.001297 -0.000077 0.002779 0.000799 32O 1dx2y2 0.005901 0.000962 0.000364 -0.000074 0.002616 -0.000089 32O 1dxy -0.002068 0.002246 0.001645 -0.000365 0.002268 0.001154 32O 2dz2 -0.061487 -0.170351 -0.016813 0.045241 -0.076162 -0.000829 32O 2dxz -0.159887 -0.003974 -0.045353 0.045808 -0.061311 -0.068609 32O 2dyz 0.114058 -0.132050 0.001848 0.040942 -0.069396 -0.099315 32O 2dx2y2 0.039716 0.117702 0.033919 -0.014480 0.024695 0.001386 32O 2dxy 0.115473 0.036780 0.016450 -0.056356 0.008726 0.058333 32O 1f0 -0.015205 -0.008622 -0.001643 0.003292 -0.011712 -0.005051 32O 1f+1 0.008453 0.004591 0.000986 -0.001362 0.006411 0.001477 32O 1f-1 -0.010693 -0.014896 -0.001748 0.003960 -0.012355 -0.008578 32O 1f+2 0.008482 0.005917 0.000345 -0.002668 0.008431 0.003965 32O 1f-2 -0.016022 -0.001395 -0.001666 0.002197 -0.005704 -0.001460 32O 1f+3 0.011163 0.002880 0.000926 -0.002066 0.006036 0.001389 32O 1f-3 0.007854 0.000294 0.002753 -0.001623 0.004322 0.000214 33O 1s 0.001688 0.000832 -0.002499 -0.002482 -0.002986 -0.000294 33O 2s 0.004725 -0.001646 -0.010670 -0.011433 -0.008309 -0.001187 33O 3s -0.016039 0.090819 0.097945 0.134335 0.013098 0.014804 33O 4s 0.024439 -0.510046 -0.195241 -0.472171 0.172613 -0.034801 33O 5s 0.334917 -0.523018 -1.403919 -2.255260 -0.349015 -0.265857 33O 1pz -0.002336 -0.041179 0.012962 0.029431 0.009099 -0.013720 33O 1px 0.042802 0.021725 0.025400 -0.033069 -0.002809 -0.010704 33O 1py 0.027161 -0.014116 -0.014945 0.006565 0.039145 -0.003907 33O 2pz 0.048023 -0.225029 -0.114536 -0.335364 0.063175 -0.050903 33O 2px 0.011364 0.272684 0.181414 0.387700 -0.016355 0.038495 33O 2py 0.040155 -0.035402 0.000490 -0.056078 0.022513 -0.009388 33O 3pz 0.081784 -0.004387 -0.648426 -0.462208 -0.038200 -0.092406 33O 3px -0.382167 0.372884 0.480756 1.250480 -0.246680 0.157061 33O 3py -0.103835 0.083485 -0.188877 0.195858 0.093237 0.010979 33O 1dz2 -0.001554 0.000969 0.000133 0.000761 0.000481 -0.000598 33O 1dxz 0.002971 -0.002454 -0.005342 -0.007305 0.002191 -0.002973 33O 1dyz 0.000205 -0.000214 0.002848 -0.004423 -0.001939 0.000623 33O 1dx2y2 0.001152 0.002065 0.000397 0.002269 0.004434 -0.003604 33O 1dxy 0.002977 -0.000717 -0.000321 -0.005551 0.002108 -0.000726 33O 2dz2 -0.080349 -0.009432 -0.075593 -0.027380 -0.181253 0.023646 33O 2dxz 0.087764 0.126381 0.099622 0.131704 0.082900 -0.025690 33O 2dyz 0.031141 -0.081527 -0.182126 -0.152372 -0.002166 -0.036864 33O 2dx2y2 -0.041240 -0.112749 0.020645 -0.177756 0.210828 -0.107180 33O 2dxy 0.025974 -0.033808 0.154052 -0.147643 -0.010325 -0.032509 33O 1f0 0.002214 0.003670 0.002113 0.006396 0.004081 -0.000615 33O 1f+1 0.003459 0.005889 0.005546 0.007319 0.005286 -0.000485 33O 1f-1 -0.000535 -0.003706 -0.001925 -0.007853 0.001883 -0.003123 33O 1f+2 -0.001275 -0.006642 -0.012952 -0.010846 0.000958 -0.003137 33O 1f-2 -0.000110 0.002203 0.004864 0.001532 0.001231 -0.000024 33O 1f+3 -0.000644 -0.004547 -0.006324 -0.008290 0.002967 -0.003312 33O 1f-3 0.000066 0.000370 0.004888 -0.000234 -0.002550 0.003862 34O 1s 0.002831 -0.001445 0.002095 -0.000779 -0.002049 0.008075 34O 2s 0.012323 -0.006909 0.001969 0.003537 -0.003937 0.022690 34O 3s -0.126520 0.074036 0.073110 -0.143126 -0.022451 -0.066649 34O 4s 0.447546 -0.283565 -0.419841 0.659194 0.186302 -0.047661 34O 5s 0.730887 -0.220830 -0.556300 2.786173 0.604103 0.173805 34O 1pz 0.008233 -0.005692 -0.006822 0.007519 0.035079 -0.005945 34O 1px 0.020257 -0.027046 -0.001710 -0.007959 -0.013778 -0.052859 34O 1py -0.029538 0.008327 0.044142 -0.001732 -0.046572 -0.002037 34O 2pz -0.011421 0.003869 0.060802 -0.028857 0.003131 0.009294 34O 2px 0.275693 -0.172200 -0.248624 0.655549 0.094719 -0.038002 34O 2py -0.058470 0.034246 -0.000477 -0.143793 -0.006494 0.002166 34O 3pz -0.024255 0.439591 -0.403420 -0.315460 0.130800 -0.017724 34O 3px 0.773421 -0.091270 -0.783968 1.580992 0.830382 0.086286 34O 3py -0.326022 -0.416211 0.767935 -0.061110 -0.575499 0.106013 34O 1dz2 0.003017 -0.000871 -0.004090 0.004180 0.002117 -0.001551 34O 1dxz -0.000027 -0.000680 0.000074 -0.002530 -0.002449 0.001036 34O 1dyz -0.002884 -0.000631 -0.000638 -0.005686 -0.000227 -0.005258 34O 1dx2y2 -0.004763 0.000666 0.001518 -0.006612 -0.000977 -0.003168 34O 1dxy 0.003337 -0.000293 -0.002095 0.006539 0.007231 -0.002783 34O 2dz2 -0.036893 0.028454 0.070341 -0.185876 0.057033 0.044610 34O 2dxz 0.002259 0.069206 -0.036341 -0.129481 0.122563 0.078267 34O 2dyz -0.041773 0.127725 -0.066311 -0.197063 -0.070580 -0.023900 34O 2dx2y2 0.058349 -0.100001 0.003389 0.249215 0.046254 -0.114090 34O 2dxy -0.123866 -0.003971 0.284457 -0.043839 -0.010429 -0.072479 34O 1f0 0.000778 -0.002762 -0.000388 -0.000774 -0.001838 -0.001009 34O 1f+1 -0.006831 0.000112 0.008613 -0.016427 -0.005521 0.003062 34O 1f-1 0.001128 -0.001711 0.000078 0.001802 0.001159 0.000256 34O 1f+2 -0.000862 -0.000441 0.000664 -0.008646 -0.000253 0.000942 34O 1f-2 -0.001370 0.002971 -0.001131 -0.003184 0.001023 -0.000428 34O 1f+3 -0.008622 0.000060 0.010095 -0.015622 -0.005313 0.004759 34O 1f-3 0.005715 0.000335 -0.015478 0.011947 0.004149 -0.004585 35O 1s 0.001562 0.001756 0.000178 -0.002534 -0.003496 0.002761 35O 2s 0.005764 0.006534 0.004370 -0.001863 -0.006528 0.007564 35O 3s -0.051454 -0.062785 -0.088384 -0.113762 -0.046186 -0.019834 35O 4s 0.200302 0.211920 0.365779 0.623585 0.379661 -0.047127 35O 5s 0.581772 0.944089 0.495852 2.351078 0.217685 0.124901 35O 1pz 0.036960 -0.019918 0.033646 -0.002679 0.034344 0.007049 35O 1px -0.012112 0.002623 -0.009605 -0.007869 -0.018239 -0.023298 35O 1py -0.011454 0.003670 0.038776 -0.001989 0.026673 -0.004643 35O 2pz 0.021558 0.056063 -0.034680 0.066254 -0.013579 0.014957 35O 2px 0.088820 0.294679 0.202743 0.546653 0.169217 -0.000480 35O 2py 0.041949 0.140927 0.063194 0.243641 0.022565 0.030222 35O 3pz 0.342257 -0.578714 0.691465 -0.083599 0.736780 -0.229875 35O 3px 0.651394 0.128623 0.582442 1.452828 0.691523 0.018322 35O 3py 0.507228 -0.369825 0.574923 0.423946 0.690629 -0.050530 35O 1dz2 0.002243 0.003685 0.002382 0.006187 0.000823 -0.001604 35O 1dxz -0.003279 0.001674 -0.000952 -0.006810 -0.002190 -0.001401 35O 1dyz 0.001270 0.001162 -0.001920 0.001954 -0.002321 0.003812 35O 1dx2y2 -0.001417 -0.002930 -0.001216 -0.001927 -0.000643 -0.000889 35O 1dxy -0.002476 -0.001781 -0.002018 -0.005687 -0.004547 -0.000869 35O 2dz2 0.016130 -0.033956 -0.064829 -0.064335 0.083781 -0.019250 35O 2dxz 0.100403 -0.066671 0.150353 -0.128156 0.236838 -0.090506 35O 2dyz -0.019363 0.002146 0.074623 0.148482 0.024642 0.079740 35O 2dx2y2 -0.028441 0.083010 -0.123583 0.293234 0.082921 -0.037271 35O 2dxy -0.043184 0.032995 0.177674 0.163610 0.002270 -0.012453 35O 1f0 -0.001780 0.000636 -0.002408 -0.002083 -0.006797 -0.001760 35O 1f+1 -0.003649 -0.003271 -0.006998 -0.013172 -0.009126 -0.001360 35O 1f-1 -0.002093 -0.001989 -0.003822 0.001386 -0.004414 0.001384 35O 1f+2 0.000606 -0.000853 0.006491 -0.001726 0.004130 -0.002066 35O 1f-2 -0.000857 0.002678 0.004062 0.005856 0.002936 0.000913 35O 1f+3 -0.002154 -0.003389 0.000010 -0.006424 -0.003070 -0.000124 35O 1f-3 -0.002486 -0.007956 -0.013956 -0.019323 -0.010248 0.001831 354 355 356 357 358 359 1.81348 1.81975 1.82872 1.83145 1.85297 1.86179 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s -0.001289 0.001772 -0.000101 0.000319 -0.002420 0.000047 0Rh 2s 0.002675 -0.006864 -0.000487 -0.000911 0.007792 -0.000303 0Rh 3s -0.005933 0.006208 -0.000893 0.001315 -0.009452 0.000091 0Rh 4s -0.012304 0.033334 0.002668 0.004339 -0.037340 0.001530 0Rh 5s -0.011131 -0.030982 -0.011633 -0.001207 0.017573 -0.002778 0Rh 6s 0.139853 -0.090977 0.036003 -0.024597 0.188582 0.002477 0Rh 7s -1.070219 0.620313 -0.370561 0.155647 -1.638566 -0.042612 0Rh 8s 0.117383 -0.356258 0.281542 -0.012431 0.264963 -0.063652 0Rh 1pz -0.011197 0.011904 0.005412 0.019028 0.011898 -0.006790 0Rh 1px -0.013140 0.011981 -0.007321 0.007959 -0.011682 -0.001894 0Rh 1py -0.003043 0.014439 0.019610 -0.005228 0.004533 0.009231 0Rh 2pz 0.037982 -0.040497 -0.018221 -0.064461 -0.039854 0.022838 0Rh 2px 0.043649 -0.041244 0.024381 -0.026903 0.038648 0.006228 0Rh 2py 0.010186 -0.049448 -0.066251 0.017680 -0.015424 -0.031556 0Rh 3pz -0.001530 0.005155 -0.001269 0.000819 -0.011980 0.002468 0Rh 3px 0.018362 0.014867 0.009503 -0.000997 0.020276 0.003650 0Rh 3py 0.002552 0.013039 -0.004507 0.000323 0.001394 0.006361 0Rh 4pz -0.229829 0.225038 0.112328 0.394931 0.311634 -0.145446 0Rh 4px -0.348193 0.192513 -0.194127 0.170283 -0.326047 -0.051388 0Rh 4py -0.074470 0.247518 0.436834 -0.108914 0.090513 0.168080 0Rh 5pz 0.370809 -0.361979 -0.166002 -0.639381 -0.584730 0.218011 0Rh 5px 0.611383 -0.278695 0.341712 -0.277860 0.589496 0.082781 0Rh 5py 0.128531 -0.376388 -0.747806 0.169864 -0.149538 -0.263512 0Rh 6pz -0.076183 0.919934 0.612185 0.814324 0.125530 -0.388937 0Rh 6px -1.041974 -0.477222 -0.170726 0.426435 -1.666384 -0.253247 0Rh 6py -0.013207 0.351740 0.682988 -0.428677 0.518344 0.533798 0Rh 1dz2 0.017108 -0.002338 0.001935 0.026342 -0.005094 -0.004758 0Rh 1dxz 0.001184 -0.011139 0.001316 0.013778 -0.007109 0.003420 0Rh 1dyz -0.012956 -0.004876 -0.001241 -0.011298 -0.000869 -0.007881 0Rh 1dx2y2 0.020366 0.009717 0.006458 0.018624 0.006711 0.005511 0Rh 1dxy 0.004150 -0.005215 0.006582 -0.000338 0.004973 -0.003472 0Rh 2dz2 -0.002874 0.001803 -0.001279 -0.003295 0.003667 0.002330 0Rh 2dxz 0.002712 0.001327 0.000371 -0.003993 -0.000128 -0.000085 0Rh 2dyz 0.004137 0.001923 0.000499 0.002867 0.000548 0.005672 0Rh 2dx2y2 -0.003525 -0.002341 0.000015 -0.003345 -0.003682 -0.000357 0Rh 2dxy -0.000095 -0.000190 -0.005083 0.000647 -0.002004 0.001244 0Rh 3dz2 -0.029725 -0.002017 0.000806 -0.050727 -0.003165 0.001265 0Rh 3dxz -0.014503 0.021406 -0.004751 -0.016770 0.018080 -0.008253 0Rh 3dyz 0.013747 0.003545 0.001201 0.015340 -0.000340 -0.006143 0Rh 3dx2y2 -0.034881 -0.013640 -0.015895 -0.031505 -0.000883 -0.012261 0Rh 3dxy -0.009917 0.013338 0.005625 -0.002045 -0.003782 0.002803 0Rh 4dz2 -0.049313 0.025628 -0.019524 -0.060071 0.050999 0.045501 0Rh 4dxz 0.034442 0.029827 0.002481 -0.063160 0.002905 -0.001469 0Rh 4dyz 0.068173 0.030812 0.002521 0.048200 0.009246 0.109978 0Rh 4dx2y2 -0.059642 -0.040426 -0.004718 -0.057089 -0.050905 -0.004331 0Rh 4dxy -0.001876 0.006379 -0.072945 0.010724 -0.028967 0.029508 0Rh 5dz2 0.180458 -0.100404 0.084599 0.214307 -0.186603 -0.376549 0Rh 5dxz -0.130559 -0.185093 0.002217 0.254157 -0.012070 0.006795 0Rh 5dyz -0.299313 -0.154004 0.041504 -0.200869 -0.041266 -0.914443 0Rh 5dx2y2 0.223529 0.185512 0.024551 0.219744 0.183169 -0.047853 0Rh 5dxy -0.011474 -0.104343 0.296757 -0.056986 0.112629 -0.307764 0Rh 1f0 0.071148 0.054650 0.054398 -0.079850 0.022936 0.066361 0Rh 1f+1 0.037214 0.015442 0.020405 -0.050975 -0.068016 -0.068729 0Rh 1f-1 -0.053929 0.138625 0.099135 0.072243 0.003972 0.011928 0Rh 1f+2 0.022551 -0.057144 -0.013216 -0.098739 0.068072 0.126804 0Rh 1f-2 -0.043225 0.002100 0.017358 -0.036724 0.003604 -0.022140 0Rh 1f+3 -0.026348 -0.007168 0.044436 0.067789 -0.049105 -0.067950 0Rh 1f-3 0.025674 0.055594 -0.097170 -0.001124 0.000516 0.048359 1Rh 1s -0.001309 -0.001737 -0.000065 0.000291 -0.002399 -0.000260 1Rh 2s 0.002746 0.006804 -0.000617 -0.000795 0.007711 0.000934 1Rh 3s -0.006006 -0.006042 -0.000759 0.001225 -0.009378 -0.000959 1Rh 4s -0.012647 -0.033068 0.003298 0.003780 -0.036947 -0.004535 1Rh 5s -0.010856 0.031489 -0.012139 -0.000658 0.017221 0.003572 1Rh 6s 0.140988 0.086644 0.033980 -0.023112 0.187438 0.015442 1Rh 7s -1.080310 -0.585111 -0.359042 0.140724 -1.625346 -0.088725 1Rh 8s 0.115777 0.351134 0.268477 -0.008212 0.258378 0.094763 1Rh 1pz 0.010985 0.011955 -0.006116 -0.018975 -0.011448 -0.008166 1Rh 1px 0.013104 0.011707 0.006893 -0.007811 0.011998 -0.001298 1Rh 1py 0.003098 0.013786 -0.020029 0.005081 -0.004879 0.009861 1Rh 2pz -0.037256 -0.040660 0.020608 0.064295 0.038329 0.027486 1Rh 2px -0.043530 -0.040334 -0.022920 0.026383 -0.039721 0.004284 1Rh 2py -0.010382 -0.047250 0.067691 -0.017175 0.016600 -0.033678 1Rh 3pz 0.001345 0.004930 0.001083 -0.001083 0.012027 0.002884 1Rh 3px -0.018306 0.015254 -0.009846 0.001405 -0.020200 0.002039 1Rh 3py -0.002354 0.013324 0.004016 -0.000445 -0.001504 0.005939 1Rh 4pz 0.226196 0.226980 -0.125971 -0.392964 -0.302624 -0.176729 1Rh 4px 0.347215 0.185260 0.186609 -0.168749 0.332362 -0.032733 1Rh 4py 0.074919 0.232361 -0.443652 0.106256 -0.097183 0.183677 1Rh 5pz -0.365455 -0.365678 0.187353 0.636383 0.571129 0.272306 1Rh 5px -0.609343 -0.265857 -0.330491 0.276089 -0.600129 0.050108 1Rh 5py -0.129326 -0.350066 0.758307 -0.165551 0.159919 -0.291799 1Rh 6pz 0.074988 0.938773 -0.659998 -0.803290 -0.118161 -0.425435 1Rh 6px 1.023216 -0.504773 0.169128 -0.446565 1.708883 -0.177558 1Rh 6py 0.008724 0.354433 -0.694346 0.423700 -0.546231 0.538196 1Rh 1dz2 0.017284 0.002966 0.001871 0.026317 -0.005271 0.004536 1Rh 1dxz 0.001138 0.011521 0.000997 0.013771 -0.006621 -0.003951 1Rh 1dyz -0.012999 0.004989 -0.001586 -0.011314 -0.001390 0.007946 1Rh 1dx2y2 0.020306 -0.009850 0.006756 0.018739 0.006844 -0.004461 1Rh 1dxy 0.004273 0.005343 0.006341 -0.000563 0.004829 0.004415 1Rh 2dz2 -0.002900 -0.001952 -0.001195 -0.003255 0.003734 -0.002195 1Rh 2dxz 0.002701 -0.001431 0.000393 -0.003983 -0.000198 0.000148 1Rh 2dyz 0.004123 -0.001936 0.000642 0.002916 0.000877 -0.005854 1Rh 2dx2y2 -0.003535 0.002431 -0.000050 -0.003365 -0.003613 -0.000125 1Rh 2dxy -0.000111 -0.000003 -0.005058 0.000654 -0.001892 -0.001483 1Rh 3dz2 -0.030042 0.001119 0.000594 -0.050840 -0.003040 -0.001285 1Rh 3dxz -0.014348 -0.021902 -0.004070 -0.016798 0.017176 0.009291 1Rh 3dyz 0.013911 -0.003744 0.001417 0.015157 -0.000542 0.006793 1Rh 3dx2y2 -0.034688 0.013590 -0.016349 -0.031707 -0.001524 0.011730 1Rh 3dxy -0.010143 -0.012822 0.006093 -0.001519 -0.003938 -0.004096 1Rh 4dz2 -0.049798 -0.028098 -0.018187 -0.059456 0.052635 -0.043815 1Rh 4dxz 0.034402 -0.031398 0.003116 -0.062964 0.001613 0.002692 1Rh 4dyz 0.068031 -0.031389 0.005084 0.049112 0.015701 -0.113120 1Rh 4dx2y2 -0.059741 0.041542 -0.005819 -0.057403 -0.049684 -0.002773 1Rh 4dxy -0.002301 -0.009076 -0.072100 0.011027 -0.026619 -0.033575 1Rh 5dz2 0.182830 0.110531 0.076607 0.210769 -0.205601 0.372659 1Rh 5dxz -0.131092 0.190617 -0.002188 0.253043 -0.006192 -0.012698 1Rh 5dyz -0.299167 0.159756 0.023902 -0.208270 -0.096271 0.935717 1Rh 5dx2y2 0.223157 -0.188704 0.028849 0.220342 0.174012 0.077366 1Rh 5dxy -0.008413 0.115231 0.288059 -0.060169 0.091158 0.326440 1Rh 1f0 -0.071146 0.052988 -0.055255 0.078741 -0.026038 0.066488 1Rh 1f+1 -0.037995 0.015221 -0.021317 0.051729 0.070806 -0.065594 1Rh 1f-1 0.052949 0.137130 -0.105665 -0.071806 -0.004978 0.010143 1Rh 1f+2 -0.021725 -0.059416 0.017564 0.096998 -0.075391 0.129960 1Rh 1f-2 0.042978 0.003872 -0.015714 0.037101 -0.002328 -0.025958 1Rh 1f+3 0.025672 -0.009487 -0.045853 -0.066862 0.051940 -0.064998 1Rh 1f-3 -0.024542 0.059695 0.095056 0.000514 -0.003679 0.053000 2C 1s -0.011796 0.026588 0.001364 -0.001623 -0.015678 0.007315 2C 2s -0.040996 0.092261 0.007310 -0.005049 -0.052817 0.026439 2C 3s 0.549377 -1.160741 -0.142986 0.071232 0.702652 -0.423477 2C 4s -1.692374 3.435375 0.548447 -0.283899 -2.131049 1.477328 2C 5s 0.114266 0.128502 0.747392 0.139898 1.037159 -0.397798 2C 1pz 0.020573 -0.312592 -0.117384 -0.010608 0.136134 -0.085648 2C 1px -0.049104 -0.111882 0.010721 -0.064397 0.099829 0.005790 2C 1py 0.178153 -0.226317 0.040999 -0.014020 0.143745 -0.013810 2C 2pz -0.407063 1.656721 0.630501 -0.132284 -0.793909 0.808947 2C 2px -0.036991 0.504072 0.045685 0.243207 -0.208073 -0.228914 2C 2py -0.828134 1.187214 0.036800 0.056898 -0.643290 0.249075 2C 3pz -0.120591 0.391592 0.094124 0.061884 -0.106662 0.124534 2C 3px -0.147798 0.111756 0.056294 -0.013577 -0.086072 -0.017109 2C 3py -0.029063 0.220056 0.151276 -0.144122 0.043336 0.058735 2C 1dz2 0.008856 -0.007866 -0.007876 0.027458 0.007228 -0.021333 2C 1dxz 0.001815 0.006050 -0.005014 0.012982 -0.031737 0.002627 2C 1dyz -0.004782 0.002102 -0.014604 -0.004194 -0.003256 -0.017303 2C 1dx2y2 0.001838 0.009659 -0.008211 0.029328 -0.000273 -0.007863 2C 1dxy 0.028991 0.005492 0.017786 -0.012855 -0.011205 0.012583 2C 2dz2 -0.153495 0.483006 0.162038 -0.047339 -0.292231 0.355578 2C 2dxz -0.178422 0.213104 0.065457 -0.000971 0.006651 -0.107484 2C 2dyz -0.326265 0.782425 0.176956 0.007808 -0.416688 0.323031 2C 2dx2y2 0.091755 -0.192785 -0.079596 0.045687 0.078932 -0.111458 2C 2dxy -0.001273 0.149152 0.097549 0.019127 0.011639 -0.066965 2C 1f0 -0.022994 0.007768 -0.025422 0.039084 -0.017780 -0.008010 2C 1f+1 0.014159 0.016327 0.017851 0.005675 -0.014276 -0.004288 2C 1f-1 -0.011447 -0.017999 0.007450 -0.020409 -0.001647 0.024241 2C 1f+2 0.021422 -0.004177 0.007310 0.007433 0.018920 -0.019680 2C 1f-2 -0.027657 0.006356 -0.008105 -0.002898 -0.018492 -0.003991 2C 1f+3 -0.021035 0.007929 -0.011286 0.019559 0.002018 -0.036134 2C 1f-3 -0.006466 0.014898 0.002772 0.003044 -0.006982 -0.006481 3C 1s -0.007228 -0.004376 -0.000618 0.003834 -0.017120 -0.006134 3C 2s -0.024964 -0.015896 -0.002539 0.013934 -0.059934 -0.016886 3C 3s 0.296793 0.181588 0.076907 -0.209066 0.781534 0.186374 3C 4s -0.755631 -0.462299 -0.364253 0.747564 -2.321889 -0.600791 3C 5s -0.131059 -0.378527 -0.424987 0.053372 -0.283526 0.627954 3C 1pz -0.047792 0.007633 0.069645 -0.097769 0.086310 0.043003 3C 1px -0.068713 0.028420 -0.012716 0.005264 0.136905 0.023255 3C 1py -0.190493 -0.127167 0.079583 0.000875 -0.200866 -0.032852 3C 2pz 0.130599 -0.082011 -0.283582 0.417646 -0.539098 -0.268151 3C 2px 0.176149 -0.114812 -0.230576 0.064288 -0.517582 0.247094 3C 2py 0.652866 0.454230 -0.150496 -0.287040 1.070068 0.154922 3C 3pz -0.025620 -0.088557 0.079756 0.087444 -0.113294 -0.064752 3C 3px -0.117123 -0.067291 -0.054017 0.031469 -0.055361 0.129882 3C 3py 0.095610 0.124622 0.160146 -0.023164 0.416329 -0.012050 3C 1dz2 0.022530 0.005289 -0.012689 0.018602 0.003976 0.006225 3C 1dxz -0.018476 -0.005006 0.036343 0.022410 -0.010700 -0.010653 3C 1dyz 0.000333 0.002372 -0.005133 0.000528 -0.006253 -0.000234 3C 1dx2y2 0.003129 -0.001384 0.029168 0.020839 -0.009273 -0.001229 3C 1dxy -0.009838 0.002083 -0.013378 -0.005685 0.020334 0.016462 3C 2dz2 0.118681 0.055129 -0.018890 0.002782 0.081330 -0.093957 3C 2dxz -0.116769 -0.057090 -0.051810 0.071482 -0.099896 0.071389 3C 2dyz 0.150539 0.127227 -0.025490 -0.120446 0.458697 0.130810 3C 2dx2y2 0.051969 0.082150 -0.004306 -0.151468 0.299215 0.168587 3C 2dxy 0.031512 0.089012 0.138912 -0.109036 0.222465 -0.170643 3C 1f0 -0.031638 -0.014538 0.037214 -0.010176 -0.008439 -0.002898 3C 1f+1 0.012220 0.001174 -0.004145 0.003641 -0.012619 0.010895 3C 1f-1 0.012634 0.007154 -0.024438 -0.012070 -0.003141 -0.001516 3C 1f+2 0.000246 -0.018932 0.014419 -0.007483 -0.006644 0.027176 3C 1f-2 -0.011064 -0.006321 0.013703 -0.007557 0.011854 -0.003894 3C 1f+3 -0.039664 -0.007642 0.018558 0.009132 -0.014737 0.017616 3C 1f-3 0.000606 -0.000263 0.015746 0.021406 0.010572 -0.000892 4C 1s 0.007154 -0.003003 -0.001089 -0.001993 0.007761 -0.001426 4C 2s 0.025060 -0.012113 -0.003186 -0.006626 0.028829 -0.006666 4C 3s -0.462831 0.798072 0.114525 0.121981 -0.692037 0.262730 4C 4s 1.932445 -4.218008 -0.519421 -0.413569 3.111476 -1.205842 4C 5s 0.163610 -0.423883 -0.416584 -0.281244 0.373980 -0.154998 4C 1pz 0.085167 0.052056 0.043549 0.084037 0.037469 -0.128487 4C 1px 0.113525 -0.115712 -0.118252 -0.096397 -0.023535 0.249180 4C 1py 0.055397 -0.046960 -0.051472 0.019101 0.015715 0.007806 4C 2pz -0.455217 0.381736 -0.017001 -0.517997 -0.711998 1.660592 4C 2px -1.023872 1.442751 1.092008 0.836362 0.509886 -3.163011 4C 2py -0.525361 0.833011 0.522287 -0.028823 -0.229262 -0.134589 4C 3pz -0.563392 1.348744 0.386302 -0.207002 -0.044029 -0.033809 4C 3px -0.028725 1.069610 0.372445 -0.023923 -0.663982 0.432355 4C 3py -0.236808 1.150309 0.370496 0.011751 -0.277314 0.235732 4C 1dz2 -0.015170 0.016649 -0.002102 -0.021046 -0.010045 0.004508 4C 1dxz -0.016938 0.006292 -0.014009 -0.000271 -0.022268 -0.004367 4C 1dyz -0.000918 0.021343 -0.015119 0.019327 -0.024130 -0.019393 4C 1dx2y2 -0.005423 -0.021475 -0.003594 -0.006624 0.014851 0.003466 4C 1dxy 0.024021 -0.011600 0.010731 -0.016229 0.009103 0.006098 4C 2dz2 0.270840 -0.500541 -0.245743 -0.146267 -0.223175 0.684372 4C 2dxz -0.306418 0.209943 0.244509 0.308941 0.365999 -1.380072 4C 2dyz 0.236242 -0.615658 -0.147221 -0.021977 0.233822 -0.198112 4C 2dx2y2 0.106412 -0.021356 0.120129 -0.173725 0.278924 -0.066753 4C 2dxy -0.267262 0.046073 0.088817 0.303531 0.487586 -1.196742 4C 1f0 0.014536 0.027154 0.013470 0.032670 -0.008942 -0.012692 4C 1f+1 0.008811 0.031499 0.003721 0.033080 -0.034448 0.009118 4C 1f-1 -0.032049 0.093232 0.018497 0.013257 -0.051263 0.041624 4C 1f+2 0.023984 -0.076367 -0.009042 0.005988 0.033788 0.022353 4C 1f-2 -0.008484 0.048173 0.001836 -0.022655 -0.030539 -0.000242 4C 1f+3 0.017010 -0.016025 -0.001853 0.007007 -0.004111 0.048068 4C 1f-3 -0.022786 0.002050 -0.004176 -0.030596 -0.003088 0.051451 5C 1s 0.005341 -0.002065 0.004131 0.000113 0.009243 -0.003415 5C 2s 0.018981 -0.006314 0.013617 -0.000148 0.033527 -0.010790 5C 3s -0.428697 -0.112838 -0.087475 0.040858 -0.861077 0.148433 5C 4s 1.849843 0.847722 0.125522 -0.324387 3.860769 -0.330670 5C 5s 0.457077 0.515502 -0.185664 0.146538 0.632742 -0.819211 5C 1pz 0.006161 -0.058937 -0.002503 0.018419 -0.024833 0.077883 5C 1px 0.043208 -0.040345 0.089206 -0.170963 0.091223 -0.247725 5C 1py 0.057936 0.006627 -0.090284 0.048322 0.035917 -0.074610 5C 2pz 0.041684 0.088056 0.163823 -0.106049 -0.100008 -1.127033 5C 2px -0.458912 -0.171663 -0.925197 1.321511 -0.689837 3.196398 5C 2py -0.173606 0.015558 0.257507 -0.314907 0.279507 0.835624 5C 3pz -0.252725 -0.138942 -0.436414 -0.035848 -0.519046 -0.017141 5C 3px -0.210339 -0.378397 0.357699 0.470466 -1.206202 -0.502932 5C 3py 0.298815 0.421455 0.450231 -0.306755 1.137071 0.202861 5C 1dz2 -0.005913 0.009691 -0.022106 -0.017795 -0.004980 0.002565 5C 1dxz -0.031467 -0.003787 0.018526 -0.002536 -0.012915 -0.010169 5C 1dyz 0.015779 0.003958 0.000585 0.010094 0.009638 0.009716 5C 1dx2y2 0.002021 0.007437 0.004245 -0.012241 0.019503 0.019283 5C 1dxy -0.010377 -0.002226 0.005923 0.003179 0.012257 0.016367 5C 2dz2 -0.148530 -0.044955 0.236413 -0.086040 -0.285433 -0.398325 5C 2dxz -0.025438 0.006808 -0.360747 -0.018493 -0.031691 0.794173 5C 2dyz -0.190496 -0.148589 -0.208682 0.199633 -0.358936 0.652640 5C 2dx2y2 0.086033 -0.012672 -0.410205 0.247644 0.090902 0.623983 5C 2dxy 0.223130 0.036394 0.384821 -0.168466 -0.096601 -1.467475 5C 1f0 0.026364 0.012841 -0.004978 0.009847 0.027597 0.042606 5C 1f+1 0.007018 0.018351 0.009581 0.029300 -0.013544 -0.025021 5C 1f-1 -0.016538 -0.010910 0.007405 -0.020896 -0.005888 0.015301 5C 1f+2 0.008516 0.014263 -0.004951 -0.030195 0.050387 -0.022979 5C 1f-2 0.018671 0.030498 -0.026549 -0.009669 0.063903 -0.044591 5C 1f+3 -0.023043 -0.013280 0.003780 -0.013636 -0.038051 -0.032307 5C 1f-3 0.043708 0.026651 0.008481 0.028495 0.032974 -0.017124 6C 1s 0.005260 0.002163 0.004098 0.000069 0.008979 0.004414 6C 2s 0.018688 0.006570 0.013542 -0.000284 0.032708 0.014327 6C 3s -0.412248 0.108405 -0.096112 0.043783 -0.856131 -0.207347 6C 4s 1.767020 -0.834271 0.174961 -0.332903 3.866127 0.565658 6C 5s 0.439008 -0.502875 -0.152458 0.131026 0.599148 0.823495 6C 1pz -0.006174 -0.058680 0.003520 -0.018543 0.020302 0.068106 6C 1px -0.043962 -0.041342 -0.086431 0.170209 -0.073431 -0.250230 6C 1py -0.058355 0.009507 0.091738 -0.046388 -0.033229 -0.053868 6C 2pz -0.047658 0.093293 -0.156054 0.109037 0.171202 -1.022768 6C 2px 0.457333 -0.150249 0.904000 -1.321762 0.470679 3.182288 6C 2py 0.184502 -0.005093 -0.268935 0.306902 -0.323462 0.662989 6C 3pz 0.239842 -0.094967 0.434896 0.032389 0.522275 0.032440 6C 3px 0.198974 -0.378517 -0.336868 -0.459851 1.230120 -0.416642 6C 3py -0.277708 0.367725 -0.460131 0.308654 -1.150326 0.106845 6C 1dz2 -0.005876 -0.010379 -0.021958 -0.017752 -0.004330 -0.004258 6C 1dxz -0.031527 0.004407 0.018638 -0.002589 -0.013978 0.010040 6C 1dyz 0.015764 -0.004310 0.000479 0.010126 0.010252 -0.010301 6C 1dx2y2 0.001798 -0.008334 0.004027 -0.011903 0.020793 -0.018562 6C 1dxy -0.010516 0.001453 0.005665 0.003359 0.012731 -0.015435 6C 2dz2 -0.141603 0.050118 0.226929 -0.086668 -0.315617 0.372570 6C 2dxz -0.024497 -0.011014 -0.356076 -0.015086 0.021047 -0.768058 6C 2dyz -0.181397 0.137219 -0.208924 0.203497 -0.319731 -0.666163 6C 2dx2y2 0.085649 -0.005672 -0.398920 0.246496 0.138563 -0.628570 6C 2dxy 0.227566 -0.032410 0.369698 -0.174682 -0.189066 1.397821 6C 1f0 -0.025745 0.012437 0.004361 -0.009918 -0.030842 0.040746 6C 1f+1 -0.007433 0.018150 -0.009858 -0.029467 0.015841 -0.025840 6C 1f-1 0.016603 -0.010782 -0.007107 0.020765 0.004858 0.015515 6C 1f+2 -0.007321 0.014274 0.004722 0.030433 -0.049248 -0.024768 6C 1f-2 -0.017295 0.031196 0.025853 0.010031 -0.061648 -0.046386 6C 1f+3 0.021843 -0.012716 -0.002548 0.013476 0.040563 -0.029575 6C 1f-3 -0.042892 0.025833 -0.009637 -0.028342 -0.032405 -0.017391 7C 1s 0.007166 0.002431 -0.001153 -0.002056 0.007802 0.001789 7C 2s 0.025082 0.010202 -0.003484 -0.006892 0.028901 0.008097 7C 3s -0.464335 -0.767259 0.139456 0.131660 -0.684027 -0.293887 7C 4s 1.937042 4.105880 -0.656610 -0.461439 3.069390 1.341243 7C 5s 0.173967 0.406073 -0.413965 -0.287893 0.369209 0.148884 7C 1pz -0.082965 0.054724 -0.045131 -0.078860 -0.035261 -0.129752 7C 1px -0.113936 -0.116044 0.118537 0.094241 0.010359 0.249700 7C 1py -0.055298 -0.041971 0.053116 -0.018917 -0.017396 0.010097 7C 2pz 0.437401 0.352096 -0.010148 0.479944 0.652051 1.671840 7C 2px 1.033780 1.427408 -1.097002 -0.809220 -0.332305 -3.166329 7C 2py 0.520847 0.801173 -0.547701 0.022829 0.254943 -0.137331 7C 3pz 0.558795 1.268588 -0.431133 0.202347 0.051772 -0.055446 7C 3px 0.032131 1.073871 -0.418686 0.019566 0.631315 0.436681 7C 3py 0.237028 1.110042 -0.413003 -0.018563 0.267076 0.221222 7C 1dz2 -0.014875 -0.016773 -0.001245 -0.021078 -0.009933 -0.005471 7C 1dxz -0.016865 -0.007022 -0.013791 -0.000262 -0.022219 0.002332 7C 1dyz -0.001104 -0.022195 -0.014165 0.018821 -0.024612 0.016835 7C 1dx2y2 -0.005668 0.020471 -0.004820 -0.006695 0.015070 -0.002671 7C 1dxy 0.024227 0.011896 0.010600 -0.016327 0.009521 -0.004327 7C 2dz2 0.266434 0.483926 -0.252996 -0.143306 -0.181207 -0.686124 7C 2dxz -0.311326 -0.201113 0.234447 0.291537 0.289875 1.380114 7C 2dyz 0.235030 0.606155 -0.169103 -0.030447 0.230565 0.208998 7C 2dx2y2 0.111719 0.023089 0.124171 -0.174515 0.268330 0.083637 7C 2dxy -0.268625 -0.051560 0.077937 0.288965 0.425339 1.194729 7C 1f0 -0.014802 0.025102 -0.014247 -0.032594 0.009281 -0.014054 7C 1f+1 -0.008741 0.030274 -0.004419 -0.033294 0.033400 0.011151 7C 1f-1 0.031616 0.091602 -0.021977 -0.014204 0.048988 0.043915 7C 1f+2 -0.024559 -0.076553 0.011128 -0.005616 -0.035785 0.020586 7C 1f-2 0.008537 0.047474 -0.003424 0.022172 0.030707 0.000151 7C 1f+3 -0.017286 -0.016409 0.001564 -0.007648 0.001764 0.046427 7C 1f-3 0.023170 0.001783 0.003820 0.030240 0.000166 0.050970 8C 1s -0.006802 0.004351 -0.000706 0.003715 -0.017501 0.004606 8C 2s -0.023460 0.015644 -0.002959 0.013592 -0.061030 0.011518 8C 3s 0.277366 -0.174584 0.083675 -0.205262 0.793165 -0.101736 8C 4s -0.698423 0.430550 -0.385012 0.735415 -2.355673 0.299050 8C 5s -0.129860 0.306398 -0.446527 0.070989 -0.248888 -0.624675 8C 1pz 0.052268 0.005277 -0.071641 0.096186 -0.088269 0.028679 8C 1px 0.069033 0.030791 0.013461 -0.005318 -0.136582 0.015830 8C 1py 0.186585 -0.127354 -0.076118 -0.002142 0.206055 -0.025946 8C 2pz -0.151957 -0.063876 0.296421 -0.410059 0.551276 -0.164657 8C 2px -0.180895 -0.109353 0.227248 -0.065359 0.495871 0.289330 8C 2py -0.628987 0.438923 0.132276 0.290181 -1.088413 0.048052 8C 3pz 0.026244 -0.087014 -0.078241 -0.088946 0.118288 -0.066074 8C 3px 0.113321 -0.059281 0.057739 -0.034335 0.054128 0.142207 8C 3py -0.086551 0.105729 -0.166497 0.023360 -0.414286 -0.050627 8C 1dz2 0.022497 -0.005320 -0.012395 0.018721 0.004453 -0.006509 8C 1dxz -0.018607 0.006312 0.036159 0.022254 -0.011861 0.010965 8C 1dyz 0.000582 -0.003279 -0.005729 0.000303 -0.005821 -0.003865 8C 1dx2y2 0.003260 0.002024 0.028964 0.020940 -0.009579 0.001223 8C 1dxy -0.009898 -0.003031 -0.013012 -0.005448 0.020926 -0.015243 8C 2dz2 0.116226 -0.052927 -0.017976 0.000934 0.078070 0.096722 8C 2dxz -0.113987 0.051805 -0.052423 0.070869 -0.096251 -0.086729 8C 2dyz 0.139590 -0.122050 -0.017725 -0.120330 0.468006 -0.074824 8C 2dx2y2 0.045372 -0.076808 0.001855 -0.149696 0.310236 -0.124739 8C 2dxy 0.024399 -0.080477 0.141395 -0.110101 0.210436 0.198412 8C 1f0 0.031532 -0.015568 -0.037069 0.009777 0.009759 -0.006119 8C 1f+1 -0.012417 0.000835 0.003893 -0.003954 0.011716 0.010594 8C 1f-1 -0.012926 0.007844 0.024522 0.012369 0.002208 0.001718 8C 1f+2 -0.000410 -0.019231 -0.013887 0.007102 0.005273 0.022445 8C 1f-2 0.011386 -0.006510 -0.013775 0.007475 -0.011031 -0.007579 8C 1f+3 0.039447 -0.008116 -0.018330 -0.009200 0.014406 0.018551 8C 1f-3 -0.000391 -0.000713 -0.015975 -0.021243 -0.010312 -0.001316 9C 1s -0.011594 -0.025936 0.002329 -0.001291 -0.015462 -0.008075 9C 2s -0.040346 -0.089918 0.010596 -0.003848 -0.052054 -0.028825 9C 3s 0.541678 1.128464 -0.183981 0.054414 0.691529 0.452523 9C 4s -1.668565 -3.333700 0.671028 -0.229289 -2.095711 -1.559619 9C 5s 0.100480 -0.075986 0.740429 0.130172 1.020432 0.495846 9C 1pz -0.019420 -0.303058 0.130389 0.012583 -0.133451 -0.086381 9C 1px 0.052391 -0.113721 -0.003089 0.060443 -0.095722 -0.000573 9C 1py -0.178423 -0.232288 -0.034956 0.016982 -0.143969 -0.026255 9C 2pz 0.397221 1.599465 -0.695408 0.109009 0.771016 0.812410 9C 2px 0.025199 0.499477 -0.070653 -0.230247 0.210974 -0.208507 9C 2py 0.826460 1.188994 -0.071184 -0.077035 0.644196 0.293139 9C 3pz 0.118246 0.373036 -0.104440 -0.066801 0.097682 0.117331 9C 3px 0.150290 0.097666 -0.052183 0.007581 0.095950 -0.015286 9C 3py 0.031456 0.208594 -0.162161 0.144243 -0.039653 0.055361 9C 1dz2 0.009044 0.007814 -0.008046 0.027296 0.006347 0.020621 9C 1dxz 0.001383 -0.006944 -0.005147 0.013381 -0.031363 -0.003877 9C 1dyz -0.004783 -0.003353 -0.014397 -0.004690 -0.003498 0.016037 9C 1dx2y2 0.001557 -0.010210 -0.008255 0.029311 -0.000421 0.006887 9C 1dxy 0.028854 -0.005244 0.018340 -0.012489 -0.010528 -0.011152 9C 2dz2 -0.148957 -0.466808 0.180340 -0.038627 -0.278414 -0.356929 9C 2dxz -0.176515 -0.203946 0.069356 0.001248 -0.001992 0.106253 9C 2dyz -0.324844 -0.768471 0.204817 0.018374 -0.409365 -0.339354 9C 2dx2y2 0.088977 0.187453 -0.088709 0.039709 0.078044 0.112281 9C 2dxy -0.000350 -0.140864 0.102058 0.020123 0.004574 0.069810 9C 1f0 0.023107 0.008976 0.025722 -0.039052 0.017522 -0.004535 9C 1f+1 -0.014053 0.015148 -0.018400 -0.005999 0.014880 -0.005432 9C 1f-1 0.010860 -0.019795 -0.006968 0.019210 0.001331 0.022663 9C 1f+2 -0.021669 -0.003687 -0.007170 -0.007678 -0.018508 -0.021867 9C 1f-2 0.027581 0.006242 0.008329 0.002561 0.019180 -0.002160 9C 1f+3 0.021607 0.009236 0.012005 -0.019337 -0.000464 -0.033979 9C 1f-3 0.006694 0.015274 -0.003192 -0.002750 0.006657 -0.006531 10H 1s -0.015777 -0.017612 -0.022953 0.036701 0.034760 -0.035542 10H 2s 0.025259 -0.018890 0.176928 -0.161761 0.147472 0.055757 10H 3s -0.018726 0.180680 -0.203222 0.039163 -0.179338 0.094913 10H 1pz -0.146726 0.092949 0.013339 -0.041491 0.015332 0.081085 10H 1px -0.084807 0.065052 0.004825 0.001834 -0.014796 0.041699 10H 1py -0.020248 0.083141 0.070427 0.004586 -0.000691 0.087536 11H 1s -0.041570 -0.048946 -0.049018 0.041245 -0.024087 -0.002065 11H 2s 0.386835 0.219900 0.251543 0.029458 0.000044 0.033969 11H 3s -0.335671 0.314741 -0.155433 0.055112 -0.451070 0.131738 11H 1pz 0.005886 0.166966 0.058651 0.057621 -0.122923 0.046012 11H 1px 0.029866 -0.035065 0.041697 -0.003085 0.081939 -0.006708 11H 1py -0.009879 0.115527 0.066162 0.050109 -0.066556 0.048042 12H 1s 0.069698 -0.062796 0.051737 -0.101714 0.008786 0.080171 12H 2s -0.278578 0.277567 -0.215891 0.270605 -0.152722 -0.206194 12H 3s 0.006536 0.251213 0.122098 -0.252274 -0.253396 0.240382 12H 1pz -0.132776 0.194659 0.010886 -0.076601 -0.137602 0.065748 12H 1px -0.066384 0.005630 -0.009090 -0.028351 0.037335 -0.001728 12H 1py -0.043124 0.092726 0.004521 0.009926 -0.057995 -0.005444 13H 1s 0.041227 0.020793 -0.056439 -0.027655 0.033443 0.038516 13H 2s -0.134994 -0.080740 0.079148 0.172910 0.083595 -0.053764 13H 3s 0.076328 0.035241 0.002612 -0.083845 -0.141132 -0.182412 13H 1pz -0.080472 -0.033528 0.002066 -0.005224 -0.026260 -0.010427 13H 1px -0.062101 -0.006883 -0.052597 0.013612 -0.046374 -0.016264 13H 1py -0.018216 -0.040506 0.115813 -0.073341 0.006967 0.044421 14H 1s -0.058925 0.006900 0.105012 0.035771 0.015485 -0.032188 14H 2s 0.432076 -0.012967 -0.220017 -0.001106 -0.121333 0.032120 14H 3s -0.266704 -0.069987 0.246946 0.118083 -0.151057 -0.136872 14H 1pz -0.002998 -0.029596 0.024064 -0.001460 -0.090289 0.025778 14H 1px 0.050465 0.009533 -0.027901 0.047231 -0.004153 0.011482 14H 1py -0.045621 -0.009325 -0.024863 -0.123922 0.147715 0.009062 15H 1s 0.062700 0.036964 -0.077599 -0.014673 0.033308 -0.034763 15H 2s -0.378605 -0.214014 0.382445 -0.132479 -0.176999 0.137923 15H 3s 0.030310 0.001896 -0.188642 0.045556 -0.298066 -0.132879 15H 1pz -0.074382 -0.058258 -0.010553 -0.030839 -0.109377 -0.005168 15H 1px -0.108652 -0.029252 -0.042024 -0.026764 0.021855 0.037207 15H 1py 0.090637 0.068586 -0.028219 0.033283 0.123030 -0.030958 16H 1s 0.051674 0.043666 0.014087 -0.010938 0.046258 0.031681 16H 2s -0.149592 -0.307251 -0.118319 0.059775 -0.213740 0.069823 16H 3s 0.167693 0.093164 -0.041497 -0.016153 -0.018777 0.119773 16H 1pz -0.065187 0.026170 0.000517 -0.016186 0.025472 -0.121270 16H 1px 0.046773 0.032761 -0.099952 -0.093774 0.013974 -0.051225 16H 1py 0.031499 -0.115275 -0.012905 0.008628 -0.120255 0.064051 17H 1s 0.025180 0.027806 0.014834 -0.009303 0.055093 -0.008052 17H 2s -0.093138 0.039698 -0.092135 0.028593 -0.236313 -0.136197 17H 3s 0.003381 0.103881 -0.091543 -0.003230 0.171472 -0.081126 17H 1pz -0.015062 0.095371 0.018680 -0.105929 0.097282 -0.101033 17H 1px -0.023647 0.008799 -0.093197 0.039353 0.038211 -0.043512 17H 1py -0.088494 0.027778 -0.074069 -0.024055 0.059211 -0.055704 18H 1s 0.023496 -0.029711 0.016399 -0.008505 0.053321 0.014774 18H 2s -0.082489 -0.035734 -0.091965 0.019124 -0.238408 0.108433 18H 3s 0.000029 -0.104692 -0.086231 -0.004980 0.170040 0.092060 18H 1pz 0.013929 0.092762 -0.027752 0.106468 -0.092661 -0.103056 18H 1px 0.023405 0.010534 0.093310 -0.038421 -0.036755 -0.042006 18H 1py 0.088132 0.030080 0.068539 0.027023 -0.064916 -0.053507 19H 1s 0.052022 -0.046166 0.014964 -0.008181 0.045636 -0.026069 19H 2s -0.148016 0.317475 -0.127271 0.047963 -0.202740 -0.092201 19H 3s 0.168419 -0.099812 -0.041152 -0.015287 -0.012179 -0.121201 19H 1pz 0.067416 0.026746 -0.003979 0.018691 -0.023721 -0.124689 19H 1px -0.046563 0.035558 0.095917 0.096231 -0.017820 -0.045377 19H 1py -0.030159 -0.114945 0.023204 -0.008010 0.116983 0.073168 20H 1s 0.063127 -0.039251 -0.077800 -0.016229 0.033795 0.023453 20H 2s -0.380597 0.223341 0.381049 -0.124291 -0.179522 -0.099258 20H 3s 0.040316 -0.004886 -0.191437 0.039363 -0.301948 0.078550 20H 1pz 0.072402 -0.056155 0.013258 0.031075 0.109020 0.009518 20H 1px 0.107738 -0.025910 0.042527 0.026229 -0.022136 0.035492 20H 1py -0.088397 0.067218 0.025749 -0.032185 -0.121792 -0.041461 21H 1s -0.059406 -0.004091 0.104923 0.036105 0.011935 0.032968 21H 2s 0.433358 0.009838 -0.220998 -0.001972 -0.112625 -0.042114 21H 3s -0.263019 0.080256 0.246142 0.116771 -0.166309 0.125063 21H 1pz 0.001636 -0.029914 -0.023709 0.000655 0.088363 0.032235 21H 1px -0.051038 0.010721 0.028612 -0.046916 0.002245 0.012971 21H 1py 0.048668 -0.008629 0.024143 0.123198 -0.146347 -0.011100 22H 1s 0.039683 -0.021367 -0.054323 -0.027245 0.036683 -0.035071 22H 2s -0.130835 0.075318 0.071889 0.171001 0.075937 0.055170 22H 3s 0.076849 -0.026972 0.009603 -0.086031 -0.148940 0.179987 22H 1pz 0.079877 -0.031504 -0.000342 0.005701 0.028479 -0.007988 22H 1px 0.060522 -0.004144 0.053622 -0.013348 0.047845 -0.010475 22H 1py 0.020173 -0.044999 -0.115324 0.072471 -0.009781 0.033488 23H 1s 0.069224 0.066528 0.051249 -0.101291 0.011449 -0.072626 23H 2s -0.280894 -0.305131 -0.211851 0.267238 -0.155683 0.174124 23H 3s 0.007477 -0.237383 0.135564 -0.247371 -0.250438 -0.248317 23H 1pz 0.133263 0.192651 -0.017077 0.073802 0.135492 0.073384 23H 1px 0.068542 0.006084 0.010723 0.027097 -0.037321 -0.001074 23H 1py 0.043927 0.093396 -0.007178 -0.009574 0.057968 -0.002224 24H 1s -0.042324 0.046066 -0.053010 0.042748 -0.025413 -0.002274 24H 2s 0.390351 -0.210686 0.270474 0.020279 0.006722 -0.018256 24H 3s -0.334020 -0.312993 -0.151571 0.065722 -0.447672 -0.157268 24H 1pz -0.006885 0.162271 -0.064705 -0.057729 0.121155 0.047625 24H 1px -0.030490 -0.038427 -0.040276 0.002284 -0.079060 -0.013116 24H 1py 0.007539 0.107647 -0.070799 -0.052335 0.066822 0.045931 25H 1s -0.014590 0.016476 -0.022794 0.034315 0.033934 0.032768 25H 2s 0.021247 0.024971 0.172562 -0.150967 0.142879 -0.032542 25H 3s -0.011414 -0.186916 -0.190084 0.036388 -0.167964 -0.117443 25H 1pz 0.145428 0.088249 -0.015999 0.037021 -0.015612 0.082389 25H 1px 0.085082 0.062110 -0.006292 -0.003182 0.014344 0.044146 25H 1py 0.019462 0.074473 -0.073991 -0.007325 -0.001885 0.082635 26O 1s 0.007524 -0.008304 -0.004350 -0.001519 0.005028 -0.002066 26O 2s 0.022937 -0.024436 -0.015017 -0.005968 0.011131 0.002528 26O 3s -0.106926 0.099193 0.099618 0.051283 0.039179 -0.194818 26O 4s 0.071444 -0.080933 -0.188907 -0.176341 -0.559206 1.034213 26O 5s 0.792892 -0.729064 -0.902477 -0.198759 -0.502543 2.524167 26O 1pz 0.027191 0.007986 0.008321 0.051151 0.037796 -0.020332 26O 1px 0.000855 -0.030192 -0.010145 0.013873 -0.013708 -0.080517 26O 1py -0.004010 -0.025436 0.021545 -0.047004 0.024837 -0.026712 26O 2pz -0.073154 0.006823 0.025055 0.002181 0.085848 -0.067333 26O 2px -0.163847 0.069658 0.151156 0.108463 0.314514 -0.837162 26O 2py -0.055510 0.029302 0.113532 0.078552 0.169470 -0.353496 26O 3pz 0.603546 0.056532 -0.009222 -0.026693 -0.067106 0.713856 26O 3px -0.116265 0.362637 0.729483 0.349393 0.978949 -0.976742 26O 3py 0.171803 0.180082 0.080014 0.010079 0.302154 -0.008168 26O 1dz2 0.004119 -0.004207 -0.001387 0.001709 -0.004818 0.002564 26O 1dxz 0.001313 -0.000594 0.005010 0.004520 0.008071 -0.000938 26O 1dyz 0.002415 -0.005288 -0.001586 -0.004044 -0.000272 -0.001659 26O 1dx2y2 0.001556 0.001264 0.001204 0.003766 -0.001573 -0.006624 26O 1dxy -0.000456 -0.000722 0.003454 0.001335 0.003836 -0.006027 26O 2dz2 0.162734 -0.047369 0.098713 0.120119 0.029810 -0.145947 26O 2dxz -0.064091 -0.150196 0.149839 0.060473 0.269413 0.048736 26O 2dyz 0.019450 -0.085373 -0.158051 -0.152929 0.016153 0.068051 26O 2dx2y2 0.270153 0.046957 -0.034742 -0.078697 -0.214764 0.281564 26O 2dxy 0.027956 -0.005530 -0.055573 0.054812 -0.059904 0.241408 26O 1f0 -0.000683 0.000552 0.003228 -0.007416 0.002844 0.006612 26O 1f+1 -0.001195 0.001253 -0.003996 -0.004643 -0.004880 0.014436 26O 1f-1 -0.002857 0.000308 0.001006 0.002437 0.006474 0.008330 26O 1f+2 0.003606 -0.000285 -0.002124 -0.006519 -0.005676 0.000682 26O 1f-2 -0.002008 -0.000178 0.004079 0.002710 0.003352 -0.008585 26O 1f+3 0.003077 0.000665 -0.001318 -0.002213 -0.003033 0.009806 26O 1f-3 0.003619 0.000739 -0.006301 0.001178 -0.009674 0.023630 27O 1s 0.003283 -0.000370 0.002789 -0.005037 0.006249 0.001434 27O 2s 0.008947 -0.001119 0.010259 -0.017399 0.016684 -0.002136 27O 3s -0.015672 0.006647 -0.088634 0.119574 -0.022607 0.152147 27O 4s -0.109004 0.009833 0.316461 -0.238694 -0.293606 -0.805707 27O 5s -0.061016 -0.023770 0.759507 -1.141504 0.226418 -2.335071 27O 1pz 0.011812 0.010028 0.025471 0.057902 0.035265 -0.028013 27O 1px 0.000573 -0.013432 0.009045 -0.002459 0.011112 0.075172 27O 1py 0.008882 -0.004916 0.019920 0.028245 -0.017878 0.029912 27O 2pz -0.051393 0.001315 -0.018032 -0.024477 0.020971 -0.035799 27O 2px 0.034434 0.012002 -0.295348 0.241088 0.140182 0.783466 27O 2py -0.022635 -0.031838 0.124053 -0.094819 -0.041167 -0.177964 27O 3pz 0.221940 -0.154765 0.396271 -0.041075 -0.159262 -0.599715 27O 3px 0.206869 0.134085 -0.457932 0.722587 0.343032 0.779861 27O 3py -0.162158 0.047278 -0.525234 0.008831 -0.174000 0.698884 27O 1dz2 0.001111 0.003785 0.000715 0.002341 -0.001758 -0.005367 27O 1dxz 0.001665 0.001642 -0.001677 0.004073 0.002183 -0.001500 27O 1dyz -0.003385 -0.000357 -0.005813 0.000060 0.001048 0.000619 27O 1dx2y2 0.001684 0.001448 -0.001836 0.005502 -0.001541 0.009670 27O 1dxy 0.000357 -0.001317 0.001717 -0.001932 -0.003410 -0.003357 27O 2dz2 0.148556 0.083025 -0.128075 0.229086 -0.017084 0.192006 27O 2dxz 0.068708 0.102231 -0.312355 0.034847 0.128917 0.123224 27O 2dyz -0.162514 0.059040 -0.165442 0.086761 0.049472 -0.008752 27O 2dx2y2 0.164075 0.027951 0.119962 0.017579 -0.128233 -0.340070 27O 2dxy 0.062861 -0.070753 0.120340 -0.011222 -0.112561 -0.012656 27O 1f0 0.002362 -0.002387 -0.000550 -0.002259 -0.001509 0.005194 27O 1f+1 -0.003044 -0.003599 0.002944 -0.011433 -0.002061 -0.017451 27O 1f-1 -0.000769 0.001727 0.004692 0.007068 0.000207 0.004332 27O 1f+2 0.001342 -0.001971 0.009216 -0.002554 -0.003960 -0.006327 27O 1f-2 0.002729 -0.000497 0.008089 -0.001018 -0.001886 -0.005887 27O 1f+3 -0.002915 0.000459 0.001041 -0.004641 -0.004255 -0.016673 27O 1f-3 0.003210 -0.001396 -0.002094 0.000589 0.001930 0.008086 28O 1s 0.001879 -0.003434 0.001080 0.002449 0.005774 0.000287 28O 2s 0.002783 -0.007545 0.005522 0.009614 0.016472 -0.006359 28O 3s 0.047996 -0.046166 -0.068816 -0.090205 -0.055485 0.184943 28O 4s -0.377770 0.317424 0.261813 0.295718 0.021966 -0.931384 28O 5s -0.424727 1.913172 0.429919 0.908160 -0.239012 -2.479499 28O 1pz 0.052471 -0.007979 0.003004 -0.001399 0.010715 -0.021809 28O 1px 0.036661 0.078342 -0.009769 -0.009557 0.003533 -0.076590 28O 1py 0.003497 0.008068 -0.044321 -0.009837 0.012286 -0.017317 28O 2pz 0.152991 -0.251936 -0.116685 -0.203944 -0.097919 0.565451 28O 2px -0.170529 0.315050 0.150504 0.190404 0.038474 -0.659680 28O 2py 0.040592 -0.037006 -0.032235 -0.006286 -0.049617 0.082511 28O 3pz 0.642311 -0.951909 -0.463892 -0.158076 0.934738 -0.002452 28O 3px -0.595662 0.581814 0.397004 0.619462 0.016261 -1.129417 28O 3py 0.029120 -0.275454 -0.040146 -0.106656 0.623471 -0.613046 28O 1dz2 0.006767 -0.003958 -0.001470 0.002850 0.003431 -0.003460 28O 1dxz -0.003537 0.006348 0.002357 0.003825 0.000269 -0.009952 28O 1dyz -0.001888 -0.001237 0.000519 -0.000787 0.005672 -0.000329 28O 1dx2y2 -0.000173 -0.001589 0.001214 0.000222 -0.000182 0.007198 28O 1dxy -0.004748 0.003576 0.002599 0.004250 -0.000156 -0.000896 28O 2dz2 0.101458 -0.070807 -0.090635 0.231299 -0.151960 -0.035689 28O 2dxz 0.105482 -0.244292 -0.082006 0.050743 -0.015928 0.301884 28O 2dyz -0.024402 -0.017279 0.145273 -0.062762 0.038728 0.013584 28O 2dx2y2 -0.099289 0.232246 0.085887 0.258390 0.145462 -0.216295 28O 2dxy -0.203047 0.027798 0.032134 0.139802 0.117829 -0.025175 28O 1f0 -0.006314 0.011180 0.000866 0.002656 -0.004103 -0.006303 28O 1f+1 -0.005807 0.010081 0.001622 0.004955 -0.006185 -0.009189 28O 1f-1 0.005984 -0.004054 -0.007210 -0.003851 -0.006847 0.005627 28O 1f+2 0.001532 -0.017192 -0.006580 -0.005977 0.006565 0.021618 28O 1f-2 0.002149 -0.000772 0.001481 0.001088 -0.000305 -0.006686 28O 1f+3 0.003856 -0.010789 -0.003678 -0.005625 -0.000124 0.012464 28O 1f-3 0.002859 0.002656 0.002914 -0.000503 -0.003348 0.003373 29O 1s 0.002794 0.001418 0.001922 -0.000697 0.004927 -0.000028 29O 2s 0.008678 0.005168 0.005714 -0.002241 0.014522 0.000328 29O 3s -0.049810 -0.047544 -0.021816 0.014226 -0.065262 -0.011857 29O 4s 0.005769 0.117240 -0.041838 -0.015206 -0.089250 0.054787 29O 5s 0.447729 0.117343 0.304549 -0.070268 0.893170 -0.026412 29O 1pz 0.013099 0.004906 -0.002092 0.006519 -0.012175 0.003372 29O 1px 0.002206 0.016529 0.015929 0.000835 -0.015934 0.011909 29O 1py 0.010842 0.034235 0.005122 0.000727 0.003318 0.008334 29O 2pz -0.055062 -0.008181 0.001087 -0.001217 0.005941 -0.085842 29O 2px 0.018123 0.015945 -0.013123 -0.007682 0.055653 -0.032160 29O 2py -0.045780 -0.052837 0.020403 0.009047 -0.041836 -0.004342 29O 3pz 0.191104 -0.306164 -0.064019 -0.021200 -0.004523 0.310064 29O 3px -0.169946 -0.092213 0.114979 -0.000305 -0.302831 0.152326 29O 3py -0.030013 -0.030303 -0.158710 0.058546 -0.153221 -0.083415 29O 1dz2 0.000756 -0.000747 0.001714 -0.002472 0.000958 -0.000491 29O 1dxz -0.001366 0.000604 0.002252 0.001195 0.003067 0.001826 29O 1dyz -0.001105 0.000961 -0.001593 0.000265 0.002311 -0.000991 29O 1dx2y2 -0.002946 -0.000427 -0.004118 0.000054 -0.002016 0.000620 29O 1dxy -0.000990 0.001045 0.001502 -0.000524 0.000689 0.000231 29O 2dz2 0.008168 0.060848 0.020445 0.010696 0.033490 -0.054597 29O 2dxz 0.043035 0.032995 0.010115 -0.017230 -0.011030 0.096074 29O 2dyz 0.050456 0.025291 0.016771 -0.013555 -0.084443 0.004782 29O 2dx2y2 0.004674 -0.058475 0.049829 0.012775 -0.018101 0.018429 29O 2dxy 0.044786 0.033706 0.019969 -0.012516 0.005457 0.023098 29O 1f0 -0.005226 -0.002931 -0.000741 0.001431 -0.006760 -0.004988 29O 1f+1 0.003040 0.002220 0.000471 -0.002154 0.002804 -0.001547 29O 1f-1 -0.005911 -0.004197 -0.001164 -0.000130 -0.004744 -0.006807 29O 1f+2 0.003191 0.002157 0.001228 0.000036 0.004418 0.001718 29O 1f-2 -0.000917 -0.005104 -0.001536 0.002337 -0.003750 0.006879 29O 1f+3 0.003941 0.001335 0.001996 -0.000166 0.004283 -0.002077 29O 1f-3 0.001299 0.002244 -0.000868 -0.000236 0.002073 -0.004153 30O 1s 0.000057 0.001615 -0.001940 0.000921 0.004899 0.001649 30O 2s -0.002354 0.003516 -0.007379 0.004901 0.010596 0.013661 30O 3s 0.063259 0.015626 0.066344 -0.058603 0.040009 -0.246310 30O 4s -0.286842 -0.156457 -0.309637 0.200531 -0.414728 1.109927 30O 5s -0.630500 -0.268524 0.027904 0.385692 -0.635544 2.721630 30O 1pz 0.047508 0.011047 -0.010973 -0.003957 0.003503 -0.043226 30O 1px 0.027561 -0.051716 0.031704 -0.026455 0.012132 0.041676 30O 1py 0.013251 0.003067 -0.032375 0.032740 -0.021723 0.026897 30O 2pz 0.100020 0.038249 0.099148 -0.099278 0.078876 -0.459542 30O 2px -0.124485 -0.084541 -0.105300 0.093507 -0.199840 0.669386 30O 2py -0.124545 -0.047702 -0.141595 0.050486 -0.094206 0.494232 30O 3pz 0.492851 0.143607 0.132595 -0.181744 0.999532 -0.304278 30O 3px -0.498363 0.110257 -0.547422 0.414046 -0.299054 1.356642 30O 3py -0.375630 -0.290393 0.083260 0.552590 -1.075914 -0.004832 30O 1dz2 0.004964 0.001272 0.003880 0.001953 0.000993 0.000741 30O 1dxz -0.000248 0.001738 -0.003230 0.002030 -0.000042 0.005513 30O 1dyz -0.004147 -0.002561 0.001781 -0.000100 -0.005556 0.003300 30O 1dx2y2 -0.001380 0.003433 -0.003092 0.005351 -0.001615 -0.004032 30O 1dxy 0.002986 0.000927 0.005128 -0.004122 0.002513 -0.005797 30O 2dz2 0.055139 -0.036483 0.339981 0.115708 0.010309 -0.074459 30O 2dxz 0.164382 0.120914 0.047043 0.052038 0.130722 -0.251662 30O 2dyz 0.046786 -0.011967 -0.048132 -0.218221 0.074299 -0.271249 30O 2dx2y2 -0.088415 0.047101 -0.189750 0.201119 0.076757 0.079256 30O 2dxy 0.098394 -0.089564 0.026968 0.022023 -0.009378 0.175708 30O 1f0 -0.008378 -0.003785 -0.005684 0.005896 -0.009525 0.016619 30O 1f+1 -0.004541 -0.002839 0.005133 0.000301 -0.001839 -0.000471 30O 1f-1 0.002738 0.001801 -0.003500 0.002101 -0.000802 0.003400 30O 1f+2 0.001584 0.003546 -0.005178 0.002913 0.005349 -0.005397 30O 1f-2 0.007232 0.004903 -0.004333 -0.003942 0.012769 -0.024038 30O 1f+3 0.002880 0.000597 0.004690 -0.001490 -0.006295 0.002832 30O 1f-3 0.001143 0.000678 0.000964 -0.004375 0.010413 -0.010959 31O 1s -0.000023 -0.001697 -0.001885 0.000963 0.004932 -0.001133 31O 2s -0.002542 -0.003770 -0.007215 0.005066 0.011247 -0.012057 31O 3s 0.062836 -0.014176 0.065571 -0.060145 0.025448 0.237628 31O 4s -0.281576 0.151040 -0.308184 0.206160 -0.345071 -1.095915 31O 5s -0.618514 0.290945 0.037380 0.391321 -0.466819 -2.608992 31O 1pz -0.046872 0.010949 0.010044 0.004615 -0.001229 -0.044140 31O 1px -0.028703 -0.052537 -0.031257 0.026068 -0.014451 0.037736 31O 1py -0.013763 0.003617 0.032736 -0.032760 0.020782 0.029518 31O 2pz -0.098291 0.037114 -0.096367 0.101357 -0.050884 -0.441920 31O 2px 0.121951 -0.083277 0.102623 -0.096561 0.157361 0.654702 31O 2py 0.122429 -0.044650 0.138970 -0.053112 0.063822 0.474109 31O 3pz -0.484816 0.147747 -0.140199 0.177956 -0.979765 -0.340966 31O 3px 0.497476 0.115713 0.535093 -0.415983 0.213348 1.294570 31O 3py 0.365948 -0.302244 -0.060208 -0.546576 1.073125 0.065667 31O 1dz2 0.004983 -0.001136 0.003969 0.001977 0.001037 -0.000751 31O 1dxz -0.000239 -0.001715 -0.003085 0.002015 0.000351 -0.005323 31O 1dyz -0.004066 0.002664 0.001707 -0.000108 -0.005342 -0.003698 31O 1dx2y2 -0.001320 -0.003443 -0.003062 0.005290 -0.001908 0.003660 31O 1dxy 0.002971 -0.000858 0.005091 -0.004094 0.002171 0.005469 31O 2dz2 0.054172 0.047484 0.338552 0.116339 0.003230 0.071490 31O 2dxz 0.160893 -0.116329 0.048544 0.051536 0.116015 0.243810 31O 2dyz 0.045920 0.010715 -0.047490 -0.219815 0.059689 0.258205 31O 2dx2y2 -0.087330 -0.053748 -0.185217 0.201536 0.078099 -0.058648 31O 2dxy 0.100709 0.091692 0.024928 0.022100 0.003074 -0.176391 31O 1f0 0.008241 -0.003642 0.005690 -0.005950 0.008547 0.016086 31O 1f+1 0.004530 -0.002942 -0.004956 -0.000313 0.001956 -0.000304 31O 1f-1 -0.002734 0.001876 0.003395 -0.002117 0.000615 0.003268 31O 1f+2 -0.001550 0.003758 0.005161 -0.002872 -0.005046 -0.005410 31O 1f-2 -0.007095 0.005108 0.004339 0.004076 -0.011279 -0.023713 31O 1f+3 -0.002925 0.000440 -0.004677 0.001449 0.006079 0.003359 31O 1f-3 -0.000971 0.000778 -0.000919 0.004391 -0.009711 -0.011188 32O 1s 0.002701 -0.001566 0.001967 -0.000633 0.004892 0.000487 32O 2s 0.008415 -0.005632 0.005883 -0.002026 0.014370 0.001123 32O 3s -0.048951 0.050230 -0.023476 0.012700 -0.063581 0.003436 32O 4s 0.008156 -0.119123 -0.037235 -0.011919 -0.095654 -0.049798 32O 5s 0.434614 -0.132591 0.305775 -0.067813 0.902370 0.080126 32O 1pz -0.013567 0.004673 0.003311 -0.007201 0.013054 0.004040 32O 1px -0.002310 0.015673 -0.016023 -0.001570 0.016819 0.010799 32O 1py -0.010552 0.035214 -0.006511 -0.002019 -0.002184 0.003976 32O 2pz 0.056321 -0.009054 -0.001481 0.003913 -0.003692 -0.086116 32O 2px -0.017247 0.017391 0.012430 0.008569 -0.054662 -0.034961 32O 2py 0.046044 -0.055904 -0.018497 -0.007470 0.039542 0.000584 32O 3pz -0.189026 -0.305350 0.078616 0.022048 -0.013875 0.314771 32O 3px 0.169801 -0.099291 -0.111919 -0.008706 0.306288 0.159524 32O 3py 0.025012 -0.036283 0.159169 -0.055010 0.161417 -0.069523 32O 1dz2 0.000775 0.000856 0.001737 -0.002394 0.000858 0.000318 32O 1dxz -0.001335 -0.000604 0.002280 0.001313 0.003089 -0.001598 32O 1dyz -0.001154 -0.000984 -0.001461 0.000180 0.002338 0.001125 32O 1dx2y2 -0.002872 0.000477 -0.004124 0.000057 -0.001991 -0.001093 32O 1dxy -0.001029 -0.000884 0.001582 -0.000521 0.000749 -0.000307 32O 2dz2 0.004592 -0.060771 0.019047 0.014429 0.029946 0.060458 32O 2dxz 0.040599 -0.033641 0.013814 -0.014977 -0.004324 -0.095259 32O 2dyz 0.052065 -0.029556 0.018256 -0.010632 -0.085369 -0.008011 32O 2dx2y2 0.002074 0.061619 0.048537 0.014217 -0.016958 -0.016185 32O 2dxy 0.049484 -0.031043 0.020849 -0.018715 0.009955 -0.031075 32O 1f0 0.004869 -0.002846 0.000777 -0.001274 0.006538 -0.004111 32O 1f+1 -0.003193 0.002552 -0.000573 0.002236 -0.002923 -0.001832 32O 1f-1 0.006129 -0.004548 0.001303 0.000323 0.005047 -0.006304 32O 1f+2 -0.003454 0.002627 -0.001360 -0.000078 -0.004684 0.001284 32O 1f-2 0.000685 -0.004977 0.001725 -0.002420 0.003177 0.007318 32O 1f+3 -0.003836 0.001308 -0.002021 0.000089 -0.003967 -0.002455 32O 1f-3 -0.001140 0.002324 0.000786 0.000229 -0.001736 -0.004532 33O 1s 0.001837 0.003354 0.000957 0.002388 0.005781 -0.000028 33O 2s 0.002610 0.007384 0.005116 0.009368 0.016102 0.007019 33O 3s 0.049783 0.044994 -0.067052 -0.087702 -0.045393 -0.185217 33O 4s -0.383774 -0.304164 0.256761 0.285902 -0.028505 0.919635 33O 5s -0.443321 -1.932611 0.463104 0.882184 -0.361528 2.445281 33O 1pz -0.052245 -0.007498 -0.003415 0.002959 -0.011184 -0.021590 33O 1px -0.036406 0.079427 0.007344 0.009648 0.000429 -0.074733 33O 1py -0.003847 0.011567 0.043761 0.010298 -0.011702 -0.018403 33O 2pz -0.156220 -0.247326 0.116900 0.197395 0.068528 0.562881 33O 2px 0.173690 0.311356 -0.152014 -0.183485 -0.004131 -0.653801 33O 2py -0.041394 -0.036043 0.032364 0.005522 0.045268 0.083816 33O 3pz -0.651316 -0.939244 0.491563 0.159918 -0.929093 -0.046782 33O 3px 0.605149 0.569950 -0.397681 -0.605647 0.042480 -1.122084 33O 3py -0.031175 -0.271769 0.054848 0.115055 -0.592760 -0.610288 33O 1dz2 0.006799 0.003907 -0.001545 0.002748 0.003338 0.003657 33O 1dxz -0.003564 -0.006251 0.002491 0.003700 -0.000271 0.009878 33O 1dyz -0.001898 0.001215 0.000478 -0.000864 0.005753 0.000533 33O 1dx2y2 -0.000132 0.001754 0.001237 0.000312 0.000106 -0.006948 33O 1dxy -0.004797 -0.003460 0.002682 0.004223 -0.000249 0.000819 33O 2dz2 0.100591 0.063309 -0.096278 0.232093 -0.151866 0.031018 33O 2dxz 0.108438 0.245613 -0.085652 0.051725 0.001204 -0.296014 33O 2dyz -0.026133 0.020443 0.143024 -0.062412 0.039331 -0.004199 33O 2dx2y2 -0.099673 -0.224037 0.090067 0.257133 0.133148 0.224026 33O 2dxy -0.203631 -0.028174 0.031388 0.138857 0.115521 0.019179 33O 1f0 0.006388 0.011292 -0.001131 -0.002605 0.004379 -0.005944 33O 1f+1 0.005889 0.010072 -0.001731 -0.004874 0.006592 -0.008839 33O 1f-1 -0.006020 -0.003782 0.007243 0.003779 0.006564 0.005894 33O 1f+2 -0.001666 -0.017091 0.006903 0.005784 -0.007689 0.021049 33O 1f-2 -0.002140 -0.000704 -0.001404 -0.001030 0.000612 -0.006727 33O 1f+3 -0.003930 -0.010674 0.003925 0.005480 -0.000534 0.012503 33O 1f-3 -0.002855 0.002554 -0.003062 0.000434 0.003246 0.003257 34O 1s 0.003184 0.000477 0.002800 -0.005000 0.006392 -0.000966 34O 2s 0.008708 0.001470 0.010174 -0.017295 0.016635 0.003284 34O 3s -0.015983 -0.008814 -0.085822 0.119222 -0.011890 -0.151598 34O 4s -0.103200 -0.004485 0.302429 -0.239682 -0.351647 0.765718 34O 5s -0.045482 0.058589 0.736171 -1.131950 0.050797 2.383806 34O 1pz -0.012080 0.009402 -0.026464 -0.057872 -0.033163 -0.033098 34O 1px -0.000067 -0.014252 -0.009800 0.001828 -0.016055 0.075541 34O 1py -0.009122 -0.006202 -0.019239 -0.028098 0.015813 0.034076 34O 2pz 0.051412 0.003254 0.018788 0.024748 -0.017811 -0.035680 34O 2px -0.029637 0.018282 0.284968 -0.241188 -0.196240 0.766622 34O 2py 0.021826 -0.035687 -0.121264 0.094639 0.053712 -0.174487 34O 3pz -0.220912 -0.174884 -0.384837 0.043277 0.199810 -0.604601 34O 3px -0.194164 0.157136 0.442662 -0.715462 -0.406847 0.732178 34O 3py 0.157414 0.064257 0.518962 -0.015457 0.135365 0.720369 34O 1dz2 0.001157 -0.003732 0.000834 0.002318 -0.002137 0.005331 34O 1dxz 0.001639 -0.001763 -0.001618 0.004055 0.002052 0.001814 34O 1dyz -0.003372 0.000128 -0.005878 0.000024 0.001083 -0.000381 34O 1dx2y2 0.001690 -0.001510 -0.001702 0.005522 -0.000872 -0.009439 34O 1dxy 0.000430 0.001539 0.001645 -0.001936 -0.003598 0.002876 34O 2dz2 0.146106 -0.083928 -0.121718 0.229474 -0.003396 -0.186521 34O 2dxz 0.067420 -0.112864 -0.309960 0.035218 0.138371 -0.117597 34O 2dyz -0.164362 -0.066812 -0.161817 0.085089 0.049376 0.009656 34O 2dx2y2 0.167006 -0.024393 0.117739 0.017106 -0.150741 0.330869 34O 2dxy 0.062865 0.077707 0.119874 -0.012484 -0.108918 -0.000162 34O 1f0 -0.002370 -0.002389 0.000598 0.002213 0.001126 0.005663 34O 1f+1 0.002909 -0.003598 -0.002615 0.011400 0.003318 -0.017168 34O 1f-1 0.000752 0.001543 -0.004857 -0.007070 -0.000512 0.004223 34O 1f+2 -0.001402 -0.002266 -0.009177 0.002544 0.004385 -0.005791 34O 1f-2 -0.002742 -0.000768 -0.008059 0.001032 0.002273 -0.005666 34O 1f+3 0.002727 0.000461 -0.000913 0.004622 0.005474 -0.016696 34O 1f-3 -0.003052 -0.001536 0.002006 -0.000543 -0.002623 0.008142 35O 1s 0.007502 0.008057 -0.004663 -0.001626 0.005055 0.002108 35O 2s 0.022857 0.023755 -0.015874 -0.006191 0.011677 -0.002522 35O 3s -0.106285 -0.097630 0.101575 0.050241 0.026787 0.196908 35O 4s 0.068582 0.088878 -0.183799 -0.166038 -0.501855 -1.043582 35O 5s 0.798593 0.696348 -0.895200 -0.170859 -0.357264 -2.558367 35O 1pz -0.027173 0.008769 -0.009466 -0.050487 -0.037501 -0.023986 35O 1px -0.000696 -0.031208 0.011830 -0.013268 0.018996 -0.080172 35O 1py 0.004151 -0.024388 -0.020230 0.047821 -0.022925 -0.026467 35O 2pz 0.073266 0.004789 -0.023342 -0.002081 -0.079904 -0.069741 35O 2px 0.163533 0.070393 -0.144260 -0.100099 -0.266907 -0.842606 35O 2py 0.054944 0.025846 -0.110632 -0.075549 -0.148631 -0.358275 35O 3pz -0.604152 0.089821 -0.006261 0.022153 0.017861 0.723065 35O 3px 0.118749 0.361840 -0.730186 -0.332758 -0.927708 -1.018593 35O 3py -0.171079 0.203603 -0.093970 -0.007911 -0.305315 -0.035777 35O 1dz2 0.004166 0.004206 -0.001430 0.001740 -0.004617 -0.002691 35O 1dxz 0.001275 0.000700 0.004963 0.004447 0.008002 0.001440 35O 1dyz 0.002384 0.005158 -0.001783 -0.004064 -0.000324 0.001869 35O 1dx2y2 0.001575 -0.001238 0.001196 0.003705 -0.001933 0.006550 35O 1dxy -0.000462 0.000738 0.003326 0.001259 0.003504 0.006239 35O 2dz2 0.164251 0.053217 0.094567 0.119651 0.020934 0.143729 35O 2dxz -0.064343 0.161225 0.142995 0.060101 0.267787 -0.032387 35O 2dyz 0.017933 0.079337 -0.160499 -0.150561 0.018260 -0.068557 35O 2dx2y2 0.272293 -0.048859 -0.027770 -0.074173 -0.197772 -0.283946 35O 2dxy 0.028867 0.006142 -0.054645 0.057258 -0.043157 -0.246998 35O 1f0 0.000707 0.000243 -0.003214 0.007331 -0.003128 0.006532 35O 1f+1 0.001210 0.001083 0.003828 0.004477 0.004096 0.014627 35O 1f-1 0.002895 0.000125 -0.001065 -0.002474 -0.006894 0.008182 35O 1f+2 -0.003614 -0.000012 0.002087 0.006529 0.005585 0.000894 35O 1f-2 0.001999 -0.000216 -0.003989 -0.002596 -0.002886 -0.008609 35O 1f+3 -0.003115 0.000627 0.001138 0.002157 0.002396 0.009888 35O 1f-3 -0.003657 0.000584 0.005981 -0.001403 0.008326 0.024089 360 361 362 363 364 365 1.86238 1.86629 1.87731 1.88449 1.89024 1.89275 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s 0.000913 -0.000763 -0.000807 -0.000819 -0.000173 -0.000475 0Rh 2s -0.004327 0.001977 0.001709 0.003859 0.000629 0.002019 0Rh 3s 0.002718 -0.003276 -0.003697 -0.002452 -0.000629 -0.001555 0Rh 4s 0.021213 -0.009401 -0.008102 -0.019004 -0.003039 -0.009851 0Rh 5s -0.026151 0.000056 -0.003291 0.024168 0.002322 0.010148 0Rh 6s -0.031973 0.064428 0.065587 0.024013 0.010402 0.025045 0Rh 7s 0.248750 -0.209970 0.097091 -0.168040 -0.170876 -0.249802 0Rh 8s 0.066151 0.041096 0.130220 0.085451 0.129026 -0.049235 0Rh 1pz -0.006373 0.001941 0.005212 0.009416 -0.005482 -0.015708 0Rh 1px 0.004531 0.003400 0.009479 -0.005003 0.005928 -0.004084 0Rh 1py -0.002351 -0.011262 -0.009043 -0.011754 -0.010007 -0.011928 0Rh 2pz 0.021807 -0.006615 -0.017869 -0.031918 0.018359 0.053465 0Rh 2px -0.015710 -0.011641 -0.031975 0.017796 -0.020576 0.013656 0Rh 2py 0.007648 0.038075 0.030745 0.039695 0.033584 0.040771 0Rh 3pz -0.005020 0.000872 0.004117 0.001757 0.002870 -0.003446 0Rh 3px 0.007615 0.001927 -0.004650 -0.016911 0.010008 0.004626 0Rh 3py 0.005809 0.003666 -0.001879 0.001351 0.004975 -0.006844 0Rh 4pz -0.113125 0.036739 0.095814 0.181419 -0.115647 -0.328256 0Rh 4px 0.067401 0.070045 0.228410 -0.049342 0.090463 -0.108478 0Rh 4py -0.065210 -0.263405 -0.185023 -0.242018 -0.216476 -0.229285 0Rh 5pz 0.174813 -0.050959 -0.147723 -0.264004 0.162788 0.567685 0Rh 5px -0.106126 -0.144254 -0.445740 0.088758 -0.154902 0.206112 0Rh 5py 0.091507 0.476875 0.303907 0.360890 0.319071 0.382011 0Rh 6pz -0.291850 -0.124511 -0.165496 0.697598 -0.667169 -0.823668 0Rh 6px 0.066441 0.295875 1.212934 0.190937 0.477025 -0.480205 0Rh 6py -0.412954 -0.314253 -0.714287 -0.880029 -0.841567 -0.556179 0Rh 1dz2 -0.001498 0.004954 -0.007650 0.008820 -0.004810 0.000308 0Rh 1dxz -0.000931 0.000869 -0.006913 0.004629 0.000203 0.008552 0Rh 1dyz -0.000695 -0.000379 0.000223 -0.007309 -0.002596 0.002045 0Rh 1dx2y2 0.004221 0.006077 -0.005040 -0.007232 -0.000348 0.005223 0Rh 1dxy -0.000757 0.008577 0.002245 0.001055 0.006419 0.004146 0Rh 2dz2 0.000254 -0.002393 0.003596 -0.001681 0.001668 0.000331 0Rh 2dxz 0.000554 0.000302 0.001329 -0.001578 0.000338 -0.001381 0Rh 2dyz 0.000272 -0.004593 0.002701 0.002382 0.001449 0.001081 0Rh 2dx2y2 -0.000794 -0.003314 0.000332 0.002371 -0.000870 -0.001121 0Rh 2dxy -0.000445 -0.002058 -0.000045 0.001186 -0.000518 -0.000267 0Rh 3dz2 0.002622 -0.001727 0.003272 -0.014745 0.004594 -0.002222 0Rh 3dxz -0.000115 -0.003501 0.011361 -0.004651 -0.002063 -0.015490 0Rh 3dyz 0.000639 0.021499 -0.012693 0.007644 0.000029 -0.009849 0Rh 3dx2y2 -0.006928 -0.000655 0.011216 0.007532 0.004802 -0.008248 0Rh 3dxy 0.003665 -0.012040 -0.005637 -0.008130 -0.013815 -0.009318 0Rh 4dz2 0.003765 -0.040285 0.058221 -0.026753 0.028160 0.004528 0Rh 4dxz 0.008658 0.004806 0.024137 -0.025040 0.005703 -0.020379 0Rh 4dyz 0.001547 -0.077510 0.046030 0.043424 0.023348 0.016729 0Rh 4dx2y2 -0.015030 -0.051855 0.004111 0.041002 -0.014403 -0.016650 0Rh 4dxy -0.003354 -0.039740 0.002760 0.022126 -0.011118 -0.002533 0Rh 5dz2 0.001331 0.221795 -0.294289 0.069464 -0.123148 -0.020139 0Rh 5dxz -0.031615 -0.039854 -0.110313 0.092062 -0.012138 0.027846 0Rh 5dyz 0.036734 0.510904 -0.300804 -0.301873 -0.100127 -0.131149 0Rh 5dx2y2 0.068407 0.254460 0.024948 -0.207297 0.057643 0.039948 0Rh 5dxy -0.008657 0.225089 -0.074653 -0.156136 0.058430 -0.041331 0Rh 1f0 -0.026998 -0.015802 0.033903 -0.112706 -0.047426 -0.025078 0Rh 1f+1 -0.013253 0.046231 -0.053406 0.040044 -0.065477 -0.128606 0Rh 1f-1 -0.080084 -0.045434 0.029901 0.006909 -0.181113 0.001525 0Rh 1f+2 -0.001598 -0.065115 -0.010153 -0.127248 0.069035 0.077374 0Rh 1f-2 -0.058820 0.135319 -0.164900 -0.161881 -0.152818 -0.124898 0Rh 1f+3 -0.004533 -0.028455 0.001751 0.145526 0.022896 0.030361 0Rh 1f-3 0.001331 -0.103297 -0.029071 -0.026741 -0.068925 0.008125 1Rh 1s -0.000853 -0.000807 -0.000814 0.000812 0.000316 -0.000477 1Rh 2s 0.004157 0.002201 0.001750 -0.003804 -0.001065 0.002070 1Rh 3s -0.002466 -0.003396 -0.003718 0.002448 0.001205 -0.001534 1Rh 4s -0.020408 -0.010501 -0.008304 0.018737 0.005140 -0.010110 1Rh 5s 0.026067 0.001521 -0.003043 -0.023747 -0.003258 0.010775 1Rh 6s 0.026531 0.065643 0.065957 -0.023777 -0.020723 0.024164 1Rh 7s -0.210172 -0.220506 0.092593 0.148478 0.206225 -0.241425 1Rh 8s -0.070643 0.032467 0.124666 -0.088823 -0.140275 -0.060660 1Rh 1pz -0.006115 -0.001947 -0.005012 0.010192 -0.007595 0.015197 1Rh 1px 0.004455 -0.002989 -0.009313 -0.004341 0.005505 0.004775 1Rh 1py -0.003264 0.010470 0.007989 -0.012223 -0.010236 0.011645 1Rh 2pz 0.020940 0.006660 0.017212 -0.034575 0.025567 -0.051738 1Rh 2px -0.015480 0.010233 0.031420 0.015560 -0.019147 -0.016063 1Rh 2py 0.010745 -0.035389 -0.027180 0.041292 0.034369 -0.039835 1Rh 3pz -0.005204 -0.001407 -0.004478 0.002257 0.001990 0.003363 1Rh 3px 0.008194 -0.001564 0.004453 -0.017180 0.010039 -0.003236 1Rh 3py 0.005827 -0.003796 0.001930 0.001264 0.004660 0.007265 1Rh 4pz -0.106751 -0.035105 -0.090737 0.196245 -0.157619 0.318630 1Rh 4px 0.063709 -0.062828 -0.224424 -0.033795 0.081709 0.118234 1Rh 4py -0.085146 0.247720 0.163262 -0.251822 -0.219549 0.222291 1Rh 5pz 0.163327 0.048838 0.140693 -0.288551 0.233905 -0.554087 1Rh 5px -0.099707 0.132743 0.439840 0.060093 -0.143345 -0.222732 1Rh 5py 0.126322 -0.452850 -0.270418 0.377546 0.321804 -0.371653 1Rh 6pz -0.287918 0.123058 0.191957 0.718382 -0.822315 0.773460 1Rh 6px 0.044006 -0.274372 -1.194516 0.253409 0.482003 0.521125 1Rh 6py -0.437516 0.259553 0.636681 -0.912849 -0.880611 0.516908 1Rh 1dz2 0.001435 0.004803 -0.007914 -0.008534 0.004915 0.000626 1Rh 1dxz 0.001122 0.001179 -0.007038 -0.004085 -0.000707 0.008406 1Rh 1dyz 0.000739 -0.000838 0.000494 0.007248 0.003715 0.002113 1Rh 1dx2y2 -0.004493 0.006153 -0.004892 0.007741 -0.000551 0.004675 1Rh 1dxy 0.000270 0.008224 0.001950 -0.000919 -0.006236 0.003875 1Rh 2dz2 -0.000200 -0.002276 0.003654 0.001549 -0.001779 0.000217 1Rh 2dxz -0.000594 0.000252 0.001361 0.001482 -0.000282 -0.001441 1Rh 2dyz -0.000053 -0.004230 0.002616 -0.002436 -0.001664 0.001045 1Rh 2dx2y2 0.000970 -0.003260 0.000291 -0.002468 0.001152 -0.000893 1Rh 2dxy 0.000554 -0.001933 -0.000081 -0.001250 0.000627 -0.000185 1Rh 3dz2 -0.002713 -0.001888 0.003679 0.014613 -0.004361 -0.002500 1Rh 3dxz -0.000184 -0.004061 0.011531 0.003710 0.003104 -0.014862 1Rh 3dyz -0.001724 0.020991 -0.013003 -0.007240 -0.001864 -0.009864 1Rh 3dx2y2 0.006846 -0.001092 0.011026 -0.008388 -0.003781 -0.007891 1Rh 3dxy -0.002944 -0.011728 -0.004729 0.008074 0.012897 -0.009014 1Rh 4dz2 -0.002732 -0.037894 0.059172 0.024595 -0.029893 0.002522 1Rh 4dxz -0.009335 0.004002 0.024676 0.023487 -0.005278 -0.021155 1Rh 4dyz 0.002034 -0.070442 0.044821 -0.044486 -0.027388 0.016353 1Rh 4dx2y2 0.017617 -0.050838 0.003453 -0.042438 0.018806 -0.012821 1Rh 4dxy 0.005342 -0.037242 0.002166 -0.023236 0.012299 -0.000965 1Rh 5dz2 -0.008182 0.199391 -0.298603 -0.058245 0.131490 -0.011685 1Rh 5dxz 0.034887 -0.036910 -0.112475 -0.087552 0.019042 0.028767 1Rh 5dyz -0.059052 0.451772 -0.297677 0.310447 0.123028 -0.134472 1Rh 5dx2y2 -0.080259 0.246418 0.027869 0.210785 -0.075570 0.023042 1Rh 5dxy -0.001011 0.204112 -0.070923 0.163098 -0.060770 -0.050650 1Rh 1f0 -0.028736 0.010538 -0.041490 -0.111422 -0.050062 0.023440 1Rh 1f+1 -0.011651 -0.042260 0.054658 0.041772 -0.075539 0.122589 1Rh 1f-1 -0.084450 0.038942 -0.033188 0.008626 -0.195214 -0.011402 1Rh 1f+2 -0.003994 0.057344 0.002181 -0.130264 0.073567 -0.071357 1Rh 1f-2 -0.053450 -0.137186 0.154675 -0.167590 -0.148066 0.120644 1Rh 1f+3 -0.005522 0.032425 0.005404 0.146440 0.017078 -0.033917 1Rh 1f-3 -0.004470 0.098750 0.026924 -0.027130 -0.079337 -0.012800 2C 1s 0.000883 0.001580 -0.000025 0.002273 0.004142 0.003219 2C 2s 0.006169 0.006300 -0.001045 0.006896 0.022788 0.011875 2C 3s -0.139073 -0.190885 0.299863 -0.021269 -0.673725 -0.145130 2C 4s 0.492234 0.895066 -1.873861 -0.153516 2.991558 0.412121 2C 5s 0.198340 -0.023822 0.651605 0.022155 -0.145317 0.607238 2C 1pz -0.143370 -0.066868 -0.124637 -0.103394 0.044799 -0.006823 2C 1px 0.021406 0.069794 -0.144353 -0.090279 0.099912 -0.022083 2C 1py 0.183467 0.083180 0.102237 0.026809 -0.057972 -0.011767 2C 2pz 0.702148 0.590599 -0.528867 0.124513 1.195307 0.174473 2C 2px 0.031190 -0.268672 0.369613 0.183938 0.003032 -0.061767 2C 2py -0.493164 -0.057643 -0.993328 -0.218984 1.114799 0.093679 2C 3pz -0.004765 0.064926 0.015679 -0.007609 0.200374 0.236438 2C 3px 0.071993 0.111281 -0.106225 -0.061722 0.293912 0.003798 2C 3py 0.136863 -0.005469 0.129253 0.086847 0.060482 0.153370 2C 1dz2 -0.016683 -0.010778 0.012944 0.008046 -0.033507 0.003787 2C 1dxz -0.020870 0.012121 -0.041927 0.001457 0.007671 -0.011489 2C 1dyz -0.019244 -0.026602 0.055190 0.013096 -0.074321 -0.007642 2C 1dx2y2 -0.031182 -0.019957 -0.017849 0.001739 0.015797 0.013724 2C 1dxy 0.036099 0.020894 0.029463 0.015057 -0.035145 -0.011342 2C 2dz2 0.172924 0.186416 -0.240655 0.025272 0.467983 0.106909 2C 2dxz 0.016709 -0.005487 -0.139707 -0.052412 0.234510 -0.067447 2C 2dyz 0.083697 0.136170 -0.452792 -0.042111 0.796770 0.090084 2C 2dx2y2 -0.033229 -0.096408 0.214955 0.049098 -0.226034 -0.043327 2C 2dxy 0.147613 0.023371 0.014332 -0.001471 0.139103 -0.040115 2C 1f0 -0.069227 -0.031964 -0.051775 -0.002216 0.044090 0.020237 2C 1f+1 0.048871 0.020390 0.034197 0.014492 -0.000782 -0.015900 2C 1f-1 0.031513 0.049441 -0.066037 -0.023909 0.061697 -0.011100 2C 1f+2 0.005080 -0.002695 0.026778 0.010538 -0.049273 -0.005797 2C 1f-2 -0.023252 0.015182 -0.099136 -0.023917 0.076468 -0.009891 2C 1f+3 -0.055174 -0.033722 -0.025135 -0.007493 -0.001987 -0.006583 2C 1f-3 0.005467 -0.020979 0.052369 0.010696 -0.019104 -0.002808 3C 1s -0.004603 -0.006073 0.001016 -0.004160 -0.000691 -0.005967 3C 2s -0.018357 -0.022006 0.004190 -0.022893 -0.005651 -0.022218 3C 3s 0.298497 0.547648 -0.028075 0.632322 0.164548 0.248316 3C 4s -1.022861 -2.498197 -0.063433 -2.688927 -0.691835 -0.596156 3C 5s -0.195653 0.502803 0.563016 0.163422 -0.001298 -1.006367 3C 1pz 0.128941 0.148316 -0.005486 0.015036 -0.004835 0.103302 3C 1px 0.182626 -0.003907 -0.029570 -0.110325 -0.029716 0.219300 3C 1py 0.054503 0.074740 0.068038 -0.017178 -0.008653 -0.003527 3C 2pz -0.600314 -1.148046 -0.085298 -0.734547 -0.150758 -0.352535 3C 2px -0.807760 -0.187385 0.146243 -0.030293 -0.040569 -0.862665 3C 2py 0.127758 0.721792 -0.071033 1.283143 0.390277 0.045987 3C 3pz 0.048854 0.177771 -0.049986 0.039348 0.000795 -0.094616 3C 3px -0.051815 -0.087113 0.100168 -0.231353 0.009189 -0.181795 3C 3py 0.208264 0.173974 -0.142519 0.217657 0.088568 0.327425 3C 1dz2 -0.018194 -0.005150 -0.008982 -0.015488 -0.003976 -0.009583 3C 1dxz 0.046214 0.006822 0.004123 -0.007015 -0.016439 0.062002 3C 1dyz -0.015960 -0.068821 -0.002986 -0.066691 -0.016812 0.006788 3C 1dx2y2 0.013374 0.002836 -0.007934 -0.029772 -0.021806 0.022436 3C 1dxy 0.010454 0.011231 -0.012093 -0.029100 -0.007061 0.007882 3C 2dz2 -0.025184 -0.026951 -0.035058 0.157481 0.063567 -0.005895 3C 2dxz -0.020680 -0.144924 0.000888 -0.180157 -0.066047 -0.048844 3C 2dyz 0.240881 0.473693 0.022803 0.638181 0.172088 0.144259 3C 2dx2y2 0.112281 0.423832 0.058540 0.488219 0.120471 -0.010564 3C 2dxy 0.252334 0.236569 -0.043879 0.296668 0.111515 0.214996 3C 1f0 0.049482 0.063091 0.002025 0.001499 -0.009830 0.039610 3C 1f+1 -0.035264 0.020794 0.006695 0.010495 0.002649 -0.048854 3C 1f-1 -0.041617 -0.051885 0.000870 0.000369 0.013852 -0.043835 3C 1f+2 -0.013777 0.079516 0.022995 0.078773 0.014332 -0.050390 3C 1f-2 0.033367 0.052135 0.001994 0.043910 0.010151 0.016922 3C 1f+3 0.054323 -0.001874 0.009230 -0.047597 -0.030905 0.076496 3C 1f-3 0.030970 -0.009764 -0.007186 -0.004660 -0.013916 0.049426 4C 1s -0.005232 -0.000124 -0.002010 0.001777 -0.015608 -0.002525 4C 2s -0.017420 -0.000217 -0.006726 0.005762 -0.053774 -0.008419 4C 3s 0.348572 -0.038881 0.398038 0.101387 0.755494 0.242947 4C 4s -1.314922 0.070397 -1.820107 -0.725974 -2.447671 -0.950892 4C 5s -0.678234 0.068700 -0.946603 -0.188725 -1.012377 -0.180971 4C 1pz 0.040046 -0.143498 0.381887 0.106937 -0.293651 -0.020333 4C 1px -0.011555 0.023674 0.128396 0.069338 -0.050633 0.264812 4C 1py -0.090258 -0.115385 0.184137 0.043195 -0.157073 0.091221 4C 2pz -0.148105 0.956524 -2.315829 -0.423841 2.103521 0.600589 4C 2px 0.446764 -0.369737 -0.764524 -0.534923 0.548053 -2.539701 4C 2py 0.433199 0.573948 -1.333184 -0.307556 1.333343 -0.611811 4C 3pz -0.050099 0.145016 0.324871 0.211470 -0.293591 0.751633 4C 3px 0.019407 0.222624 -0.242181 0.340936 0.037914 -0.111068 4C 3py -0.027123 0.234061 0.069242 0.092342 -0.218185 0.431535 4C 1dz2 -0.001092 -0.000882 0.027960 -0.000235 -0.043532 -0.010883 4C 1dxz -0.027257 -0.011780 0.001745 -0.004340 -0.022607 -0.003708 4C 1dyz -0.027520 -0.013235 0.012797 0.016536 -0.051717 -0.009000 4C 1dx2y2 -0.016909 -0.005265 -0.013015 -0.014639 0.018319 0.003921 4C 1dxy 0.030502 0.017167 0.021852 0.010206 -0.032633 -0.007980 4C 2dz2 -0.073337 0.087618 0.370807 0.217578 -0.349435 0.433700 4C 2dxz 0.409483 -0.310587 0.615431 -0.092431 -0.164840 -0.845916 4C 2dyz -0.044941 0.008112 0.292189 0.004719 -0.617765 -0.133233 4C 2dx2y2 0.080701 0.162349 -0.394593 -0.121120 -0.059235 -0.134068 4C 2dxy -0.289049 -0.403211 -0.265173 -0.179407 -0.078980 -0.608332 4C 1f0 0.032566 0.017523 0.029875 0.020084 0.003862 -0.005678 4C 1f+1 -0.006860 -0.010018 0.010672 0.029048 0.014243 0.030732 4C 1f-1 -0.000619 -0.013519 0.034019 0.026422 0.007138 0.028116 4C 1f+2 -0.021763 0.009389 -0.041486 -0.004040 -0.008369 0.013638 4C 1f-2 0.027262 0.011455 0.028442 0.010259 0.003801 -0.006968 4C 1f+3 0.008679 0.027046 0.015573 0.006445 -0.015249 0.020041 4C 1f-3 0.016500 -0.004218 0.052214 -0.000341 -0.010770 0.022930 5C 1s 0.001568 0.001847 -0.000190 0.016238 0.004842 0.003635 5C 2s 0.006408 0.006815 -0.001056 0.055696 0.016721 0.013131 5C 3s -0.292002 0.065039 0.155427 -0.859440 -0.267313 -0.466748 5C 4s 1.409264 -0.356425 -0.949808 2.887422 0.891644 2.118334 5C 5s 0.611268 -0.440059 -0.554267 1.314287 0.419743 0.703561 5C 1pz -0.050089 0.174460 0.053052 0.153376 0.029689 -0.126086 5C 1px 0.062636 0.042232 -0.150278 -0.008239 0.083131 0.019723 5C 1py -0.063110 -0.370841 -0.066252 -0.229136 -0.025734 0.094862 5C 2pz 0.155987 -1.444893 -0.572202 -1.344542 -0.095982 0.603734 5C 2px -0.796090 0.145117 1.412882 0.340384 -0.942647 -0.511254 5C 2py 0.373496 2.467612 0.538809 1.834443 0.247854 -0.399474 5C 3pz -0.145012 -0.058029 0.253836 0.246263 0.127769 -0.661982 5C 3px -0.214186 -0.404618 0.366248 0.033243 -0.380638 -0.293106 5C 3py 0.196449 0.142223 -0.395742 -0.412115 -0.237078 1.066163 5C 1dz2 -0.016425 -0.017678 0.000028 -0.003380 0.010211 -0.027219 5C 1dxz 0.037630 0.010706 0.001768 0.011590 0.001543 0.027084 5C 1dyz -0.010777 -0.015335 -0.012518 -0.049337 -0.019739 0.000823 5C 1dx2y2 0.003082 -0.013502 -0.005443 -0.031260 -0.008731 0.004773 5C 1dxy 0.017606 -0.000850 -0.007550 -0.047325 -0.019678 0.022566 5C 2dz2 0.082514 -0.106212 -0.071345 -0.440838 -0.098051 0.125702 5C 2dxz -0.500008 0.416691 0.382604 0.288432 0.012811 -0.635786 5C 2dyz -0.324597 0.085485 0.219151 -0.335168 -0.237567 -0.369124 5C 2dx2y2 -0.266393 -0.236622 0.074603 0.217039 -0.095060 -0.248791 5C 2dxy 0.019196 -0.890227 -0.575595 -0.655381 0.198914 0.158623 5C 1f0 -0.020402 0.000470 0.000294 0.015846 -0.006814 -0.019776 5C 1f+1 0.024056 0.031859 -0.016192 -0.017832 -0.015196 0.032229 5C 1f-1 0.017780 -0.001096 0.008831 -0.006841 -0.004409 0.025012 5C 1f+2 0.028611 -0.018196 -0.015605 0.006780 0.014418 0.041792 5C 1f-2 0.020337 -0.025534 -0.024994 0.006008 0.029986 0.020077 5C 1f+3 -0.027164 -0.000740 0.006044 -0.024533 0.011467 -0.058292 5C 1f-3 0.004400 -0.024259 -0.028369 0.016638 -0.005223 0.023276 6C 1s -0.001737 0.001485 -0.001047 -0.016079 -0.004114 0.003722 6C 2s -0.007053 0.005575 -0.004016 -0.055118 -0.014350 0.013423 6C 3s 0.297986 0.088807 0.211573 0.843257 0.213175 -0.465412 6C 4s -1.434886 -0.440241 -1.155927 -2.809671 -0.674392 2.104223 6C 5s -0.597982 -0.514399 -0.662881 -1.278712 -0.342286 0.686153 6C 1pz -0.043248 -0.180982 -0.048934 0.158614 0.025925 0.125518 6C 1px 0.060622 -0.023507 0.153386 -0.020424 0.100766 -0.010569 6C 1py -0.078924 0.369960 0.059957 -0.230001 -0.040058 -0.085443 6C 2pz 0.092855 1.511484 0.539075 -1.381095 -0.051958 -0.570028 6C 2px -0.752175 -0.373959 -1.454321 0.457469 -1.087704 0.414283 6C 2py 0.478908 -2.482712 -0.484561 1.841066 0.285399 0.340482 6C 3pz -0.135449 0.046655 -0.239153 0.275332 0.219193 0.668554 6C 3px -0.233948 0.420666 -0.366672 0.062585 -0.316687 0.268715 6C 3py 0.188948 -0.139755 0.366854 -0.456020 -0.394787 -1.073730 6C 1dz2 0.017331 -0.016642 -0.000273 0.002358 -0.008555 -0.028086 6C 1dxz -0.037787 0.008236 0.001192 -0.010772 -0.003066 0.028062 6C 1dyz 0.010935 -0.014044 -0.009936 0.049730 0.018289 0.000482 6C 1dx2y2 -0.003253 -0.012348 -0.003995 0.031404 0.008100 0.004932 6C 1dxy -0.018145 -0.000769 -0.004913 0.048246 0.017357 0.022802 6C 2dz2 -0.068337 -0.133908 -0.050861 0.451555 0.054568 0.118008 6C 2dxz 0.479915 0.486348 0.388292 -0.321211 0.030115 -0.619880 6C 2dyz 0.313351 0.140541 0.252879 0.311680 0.241185 -0.355019 6C 2dx2y2 0.260212 -0.181757 0.066016 -0.241032 0.148127 -0.240894 6C 2dxy 0.031110 -0.976607 -0.575279 0.688186 -0.233258 0.113839 6C 1f0 -0.019802 -0.003919 -0.000033 0.016523 -0.010832 0.018674 6C 1f+1 0.024976 -0.029293 0.015299 -0.019821 -0.009699 -0.032877 6C 1f-1 0.018073 0.001048 -0.009328 -0.006931 -0.002388 -0.025963 6C 1f+2 0.027982 0.020821 0.017314 0.005181 0.012237 -0.040182 6C 1f-2 0.019795 0.028868 0.027661 0.004962 0.026418 -0.017790 6C 1f+3 -0.027913 0.001477 -0.007436 -0.023444 0.013504 0.059050 6C 1f-3 0.003415 0.025187 0.029970 0.014949 -0.006878 -0.023539 7C 1s 0.005011 0.000102 -0.001935 -0.001668 0.014584 -0.001571 7C 2s 0.016643 0.000382 -0.006520 -0.005365 0.050323 -0.005176 7C 3s -0.328762 -0.037989 0.386892 -0.115423 -0.702215 0.213751 7C 4s 1.233512 0.043347 -1.769388 0.788329 2.253200 -0.891769 7C 5s 0.655845 0.099191 -0.920751 0.211613 0.996648 -0.154822 7C 1pz 0.032711 0.151393 -0.372413 0.120646 -0.286646 -0.002212 7C 1px -0.009483 -0.039061 -0.127089 0.067459 -0.021469 -0.265783 7C 1py -0.097540 0.112160 -0.185180 0.047304 -0.139722 -0.104334 7C 2pz -0.105179 -1.055556 2.257698 -0.512967 1.999152 -0.450492 7C 2px 0.417838 0.571055 0.782358 -0.502758 0.278091 2.559103 7C 2py 0.461105 -0.553753 1.331236 -0.336383 1.161682 0.704602 7C 3pz -0.081345 -0.153577 -0.330779 0.200715 -0.432396 -0.777801 7C 3px 0.009595 -0.253122 0.254451 0.337407 -0.079344 0.087906 7C 3py -0.046127 -0.254811 -0.085051 0.084134 -0.346859 -0.461971 7C 1dz2 0.000819 -0.000027 0.028596 -0.001139 0.042246 -0.008307 7C 1dxz 0.028221 -0.010671 0.002301 0.004198 0.020962 -0.001945 7C 1dyz 0.028705 -0.012732 0.012356 -0.016962 0.048101 -0.005303 7C 1dx2y2 0.017072 -0.004555 -0.012586 0.015698 -0.019074 0.002939 7C 1dxy -0.031762 0.016055 0.021610 -0.011576 0.033088 -0.006220 7C 2dz2 0.068212 0.129892 0.362916 -0.218501 0.265549 0.454428 7C 2dxz -0.399710 -0.407811 0.597445 0.049922 0.199435 -0.826673 7C 2dyz 0.040302 -0.005174 0.291590 -0.016379 0.566544 -0.100399 7C 2dx2y2 -0.098497 0.158109 -0.383456 0.127211 0.103835 -0.142037 7C 2dxy 0.303039 -0.459114 -0.268157 0.180416 0.100397 -0.608660 7C 1f0 0.032977 -0.015213 -0.028221 0.021396 0.001276 0.005188 7C 1f+1 -0.008857 0.009061 -0.008737 0.028028 0.016526 -0.031734 7C 1f-1 -0.002585 0.010488 -0.033037 0.027072 0.005988 -0.029582 7C 1f+2 -0.020413 -0.011173 0.040734 -0.006339 -0.004513 -0.012495 7C 1f-2 0.027332 -0.010535 -0.027695 0.012142 -0.000985 0.006449 7C 1f+3 0.010164 -0.029130 -0.016336 0.006864 -0.013423 -0.021019 7C 1f-3 0.016325 0.002069 -0.052489 0.001290 -0.009672 -0.023597 8C 1s 0.005042 -0.006192 0.001233 0.003958 -0.000033 -0.006019 8C 2s 0.019843 -0.022015 0.005475 0.022087 0.002905 -0.022383 8C 3s -0.326976 0.541249 -0.059498 -0.620380 -0.135740 0.254505 8C 4s 1.137779 -2.470206 0.059243 2.651444 0.631047 -0.628769 8C 5s 0.141759 0.555843 0.564078 -0.215869 -0.156376 -1.000466 8C 1pz 0.140148 -0.143416 0.005250 0.008945 0.002729 -0.111411 8C 1px 0.181706 0.014952 0.025754 -0.117352 -0.021555 -0.217071 8C 1py 0.057310 -0.067534 -0.071866 -0.016624 0.009308 -0.002232 8C 2pz -0.663004 1.126583 0.058495 -0.711277 -0.169625 0.390235 8C 2px -0.807388 0.119541 -0.157326 0.003354 -0.076929 0.856599 8C 2py 0.153948 -0.726608 0.138543 1.274062 0.321620 -0.041294 8C 3pz 0.060468 -0.168577 0.051769 0.034763 0.031461 0.091814 8C 3px -0.055178 0.080465 -0.115534 -0.226443 0.022980 0.185070 8C 3py 0.212145 -0.157161 0.152918 0.197707 0.043414 -0.330309 8C 1dz2 0.018110 -0.003920 -0.008156 0.015811 0.004736 -0.009548 8C 1dxz -0.046277 0.003704 0.004687 0.008616 0.012641 0.063500 8C 1dyz 0.018625 -0.067757 -0.000324 0.065913 0.017836 0.005547 8C 1dx2y2 -0.013731 0.001867 -0.006296 0.030865 0.018594 0.023366 8C 1dxy -0.011647 0.011993 -0.010468 0.030041 0.004918 0.007788 8C 2dz2 0.028062 -0.030947 -0.045955 -0.156356 -0.053144 -0.010009 8C 2dxz 0.025145 -0.138177 0.010699 0.176324 0.064704 -0.051025 8C 2dyz -0.262521 0.467735 -0.008025 -0.630229 -0.160000 0.152016 8C 2dx2y2 -0.130349 0.426073 0.038177 -0.487060 -0.103499 -0.004705 8C 2dxy -0.259696 0.211902 -0.061363 -0.285159 -0.115735 0.215491 8C 1f0 0.051965 -0.059907 -0.002819 -0.000517 -0.002539 -0.041343 8C 1f+1 -0.034346 -0.023823 -0.006983 0.012395 0.001152 0.048487 8C 1f-1 -0.044242 0.049575 -0.000002 0.002505 0.008306 0.045695 8C 1f+2 -0.010817 -0.080902 -0.020715 0.080148 0.014817 0.048855 8C 1f-2 0.035772 -0.050884 -0.000276 0.043539 0.013650 -0.017544 8C 1f+3 0.054113 0.003221 -0.012263 -0.048513 -0.025607 -0.077700 8C 1f-3 0.031023 0.011359 0.007150 -0.005939 -0.012180 -0.050166 9C 1s -0.000641 0.002149 0.000034 -0.002335 -0.003013 0.003217 9C 2s -0.005342 0.008134 -0.000880 -0.007044 -0.018425 0.011386 9C 3s 0.134106 -0.215591 0.294166 0.013624 0.594233 -0.114286 9C 4s -0.495750 0.976623 -1.842025 0.208354 -2.679780 0.252672 9C 5s -0.167578 -0.067466 0.653398 -0.012668 0.254162 0.619942 9C 1pz -0.144322 0.068948 0.118023 -0.108715 0.059622 0.011941 9C 1px 0.019316 -0.065300 0.145060 -0.096813 0.104591 0.032920 9C 1py 0.193072 -0.075818 -0.094400 0.030587 -0.053236 0.014094 9C 2pz 0.716665 -0.618112 0.533698 0.111442 1.030649 -0.107613 9C 2px 0.037928 0.271085 -0.375019 0.204980 -0.037280 0.048327 9C 2py -0.517302 0.025244 0.961001 -0.254324 1.028355 -0.044152 9C 3pz -0.016363 -0.068662 -0.023395 -0.013164 0.146655 -0.232969 9C 3px 0.072271 -0.109156 0.102831 -0.068705 0.281783 0.015867 9C 3py 0.134785 0.000261 -0.121241 0.087055 0.038290 -0.150225 9C 1dz2 0.017158 -0.011427 0.012841 -0.008164 0.028579 0.006032 9C 1dxz 0.021723 0.013078 -0.042213 0.000144 -0.006736 -0.011189 9C 1dyz 0.020484 -0.026265 0.054395 -0.015160 0.069596 -0.002711 9C 1dx2y2 0.032976 -0.019239 -0.018189 -0.000159 -0.017078 0.013425 9C 1dxy -0.036809 0.020026 0.028526 -0.016960 0.037477 -0.009280 9C 2dz2 -0.177519 0.200594 -0.236367 -0.018741 -0.411214 0.080126 9C 2dxz -0.015498 -0.012257 -0.136187 0.054385 -0.204842 -0.081018 9C 2dyz -0.081402 0.154408 -0.447246 0.057871 -0.724071 0.048603 9C 2dx2y2 0.036670 -0.102527 0.211814 -0.056507 0.206944 -0.029434 9C 2dxy -0.148476 0.013134 0.012538 -0.001345 -0.121325 -0.048969 9C 1f0 -0.072018 0.029933 0.050787 -0.005491 0.047478 -0.018868 9C 1f+1 0.049342 -0.017568 -0.033030 0.016783 -0.004181 0.015616 9C 1f-1 0.034221 -0.048779 0.064146 -0.025105 0.056967 0.016376 9C 1f+2 0.004579 0.005191 -0.028080 0.012255 -0.049750 0.002513 9C 1f-2 -0.022952 -0.015891 0.097369 -0.027385 0.072147 0.014869 9C 1f+3 -0.057986 0.032887 0.026738 -0.009696 0.002071 0.005638 9C 1f-3 0.003942 0.022067 -0.052421 0.012790 -0.019436 0.000959 10H 1s -0.039990 -0.068305 0.025610 -0.001681 0.031964 0.012829 10H 2s 0.151374 0.233165 -0.166761 -0.056850 -0.065244 -0.055286 10H 3s -0.148028 -0.194067 0.180555 0.077534 -0.156268 0.123943 10H 1pz -0.029774 -0.006255 -0.142218 -0.077496 0.193509 0.067852 10H 1px -0.000228 -0.004449 -0.064061 -0.029862 0.120422 0.007599 10H 1py 0.136677 0.086271 0.019584 0.008243 0.090039 0.020827 11H 1s -0.127727 0.020441 -0.276175 -0.059745 0.173684 0.009032 11H 2s 0.538024 -0.004097 0.907223 0.328865 -0.521491 -0.008383 11H 3s -0.232174 0.129050 -0.491274 -0.098279 0.453162 -0.008341 11H 1pz 0.065407 0.036440 -0.019575 0.052178 0.146444 0.026143 11H 1px 0.101568 0.036031 0.045358 -0.000472 0.003223 -0.016145 11H 1py 0.112954 0.101582 -0.062453 0.037257 0.168221 0.010439 12H 1s 0.173017 0.130037 0.000346 -0.008260 0.016325 -0.029755 12H 2s -0.693114 -0.485426 -0.065402 0.021174 -0.034010 0.049574 12H 3s 0.353299 0.228512 0.009849 0.088255 0.088344 -0.024566 12H 1pz -0.028913 0.013289 -0.168308 -0.074456 0.222493 0.011922 12H 1px -0.045703 -0.020645 -0.092981 -0.060320 0.066332 -0.019802 12H 1py -0.020949 -0.017449 -0.006310 0.000988 0.061722 0.002106 13H 1s -0.079177 0.036943 -0.008585 0.013737 0.019222 -0.107557 13H 2s 0.342170 -0.102737 -0.018406 -0.040105 -0.048803 0.389425 13H 3s -0.110810 0.152663 -0.130974 0.170802 0.064728 -0.139818 13H 1pz 0.077637 -0.000453 -0.001941 -0.103951 -0.034184 0.092052 13H 1px 0.012792 -0.036609 -0.002858 -0.144867 -0.036493 0.044734 13H 1py 0.074975 0.128991 0.069500 0.159912 0.006854 0.059230 14H 1s 0.173749 -0.017846 -0.030345 -0.114934 -0.069135 0.239742 14H 2s -0.722391 -0.044784 0.077111 0.401037 0.176740 -0.805838 14H 3s 0.271087 -0.050682 -0.035361 -0.254861 -0.097628 0.276233 14H 1pz -0.062655 -0.020877 0.022244 -0.027396 -0.017026 -0.080025 14H 1px -0.056365 -0.026238 -0.002205 -0.008313 -0.020520 -0.027583 14H 1py 0.143620 0.187285 0.021351 0.139169 0.083494 0.104281 15H 1s -0.089478 -0.227913 -0.023242 -0.077554 0.018454 -0.032705 15H 2s 0.324240 0.770919 0.151142 0.173328 -0.059254 0.075639 15H 3s -0.287049 -0.601613 0.046477 -0.287919 -0.029495 -0.125625 15H 1pz -0.026646 -0.127773 0.020013 -0.156225 -0.024728 -0.007269 15H 1px 0.112232 0.014061 0.001824 -0.126439 -0.024575 0.139078 15H 1py 0.038937 0.055383 -0.035404 0.153605 0.041377 0.049205 16H 1s 0.014431 0.023494 0.066607 -0.020514 0.012622 0.011885 16H 2s -0.046544 -0.093595 -0.123296 0.021052 0.009547 -0.068135 16H 3s -0.050132 -0.027421 0.002458 0.089810 -0.136766 0.089888 16H 1pz 0.028600 0.015490 -0.077269 -0.035966 0.048493 0.021081 16H 1px 0.022247 -0.004358 -0.094934 0.017552 -0.057290 0.032236 16H 1py -0.059622 -0.067676 -0.030221 0.091598 -0.076026 -0.045048 17H 1s 0.017160 0.049079 0.058879 -0.049108 0.025104 -0.032607 17H 2s 0.006993 -0.123783 -0.196983 0.210545 -0.045898 0.137786 17H 3s 0.034207 0.095680 -0.027076 -0.164991 0.026240 -0.031446 17H 1pz 0.058305 0.052170 -0.007099 -0.103009 0.057234 0.014087 17H 1px 0.016417 0.013507 -0.017126 -0.024921 0.001802 0.003882 17H 1py 0.014298 -0.030832 -0.107587 -0.002400 -0.008192 0.056712 18H 1s -0.019346 0.046285 0.060270 0.046612 -0.028746 -0.036548 18H 2s 0.001522 -0.127988 -0.210317 -0.198813 0.049727 0.153677 18H 3s -0.040009 0.086559 -0.022972 0.165302 -0.024384 -0.038097 18H 1pz 0.057010 -0.041497 0.003881 -0.106455 0.067063 -0.005628 18H 1px 0.017735 -0.010277 0.016050 -0.024806 0.001805 -0.005494 18H 1py 0.013228 0.034808 0.109105 -0.010107 -0.008760 -0.060009 19H 1s -0.015589 0.024528 0.067451 0.018247 -0.018814 0.010846 19H 2s 0.049698 -0.089040 -0.124681 -0.019865 0.008058 -0.067155 19H 3s 0.049068 -0.015136 0.002500 -0.087453 0.131559 0.102912 19H 1pz 0.029551 -0.008342 0.078061 -0.042313 0.051773 -0.016060 19H 1px 0.021070 0.009187 0.097246 0.011082 -0.057208 -0.039737 19H 1py -0.059818 0.060088 0.031734 0.093551 -0.089187 0.034668 20H 1s 0.100607 -0.224402 -0.023473 0.073786 -0.002552 -0.041093 20H 2s -0.364399 0.756785 0.157933 -0.165550 0.007715 0.107036 20H 3s 0.322313 -0.590244 0.055385 0.274240 0.048570 -0.140637 20H 1pz -0.030959 0.125904 -0.026678 -0.154312 -0.018637 0.006433 20H 1px 0.113617 -0.009399 -0.007880 -0.129062 -0.012422 -0.138118 20H 1py 0.040193 -0.051227 0.044336 0.149902 0.033474 -0.047314 21H 1s -0.173293 -0.029800 -0.025560 0.123216 0.055071 0.243123 21H 2s 0.726643 0.000076 0.060487 -0.427637 -0.126159 -0.814434 21H 3s -0.264702 -0.079364 -0.021402 0.270029 0.077409 0.282728 21H 1pz -0.062800 0.014883 -0.024929 -0.024404 -0.014629 0.077265 21H 1px -0.058032 0.022949 0.001885 -0.007135 -0.024495 0.028907 21H 1py 0.152667 -0.178516 -0.014160 0.135354 0.088111 -0.106233 22H 1s 0.075233 0.044220 -0.008766 -0.015420 -0.011326 -0.106891 22H 2s -0.331962 -0.127659 -0.019221 0.047746 0.025755 0.382568 22H 3s 0.104663 0.148922 -0.141508 -0.166170 -0.059657 -0.138715 22H 1pz 0.078838 0.005458 -0.003120 -0.107162 -0.020286 -0.093872 22H 1px 0.011202 0.038937 -0.003559 -0.145438 -0.029448 -0.042934 22H 1py 0.081018 -0.127419 -0.064029 0.159321 0.008323 -0.068208 23H 1s -0.181444 0.127400 -0.001606 0.005653 -0.004966 -0.035000 23H 2s 0.722130 -0.468608 -0.052265 -0.011979 0.011311 0.069582 23H 3s -0.366513 0.237482 -0.000232 -0.093929 -0.068144 -0.033542 23H 1pz -0.030969 -0.018876 0.161473 -0.080345 0.201403 -0.000609 23H 1px -0.048792 0.019996 0.091642 -0.065359 0.067410 0.024252 23H 1py -0.022863 0.016379 0.006165 0.000088 0.054160 -0.000198 24H 1s 0.131076 0.023317 -0.272128 0.071439 -0.172707 -0.001068 24H 2s -0.551257 -0.015125 0.885117 -0.366021 0.530189 0.026165 24H 3s 0.239382 0.143705 -0.479411 0.115030 -0.433704 -0.028208 24H 1pz 0.065145 -0.036852 0.021573 0.051790 0.126046 -0.020203 24H 1px 0.102433 -0.029641 -0.042377 0.002279 0.001554 0.019165 24H 1py 0.117211 -0.099753 0.065529 0.036749 0.148633 0.000312 25H 1s 0.039123 -0.067174 0.027408 0.001215 -0.035390 0.011069 25H 2s -0.149952 0.223770 -0.173599 0.062162 0.073801 -0.057818 25H 3s 0.152161 -0.178229 0.183007 -0.085788 0.145603 0.140068 25H 1pz -0.032384 0.000996 0.138070 -0.083912 0.188147 -0.053677 25H 1px -0.002781 0.002858 0.063317 -0.032713 0.115651 0.000188 25H 1py 0.141223 -0.085663 -0.017548 0.009481 0.078208 -0.013751 26O 1s -0.001502 -0.003905 0.000659 0.001471 -0.003232 0.001134 26O 2s -0.003856 -0.010670 0.005432 0.005883 -0.008388 0.009140 26O 3s 0.006002 0.022268 -0.103950 -0.063251 0.024963 -0.168103 26O 4s 0.068554 0.243596 0.369779 0.207367 0.041325 0.762716 26O 5s -0.171262 -0.502634 1.871502 0.694831 -0.324633 1.649435 26O 1pz -0.014407 0.000311 0.034440 0.026443 -0.084762 0.003028 26O 1px 0.018177 0.023553 -0.016167 -0.003722 0.051178 -0.024591 26O 1py -0.011865 -0.022101 0.005243 -0.035205 -0.057030 -0.013729 26O 2pz 0.014302 -0.006503 -0.075370 -0.079167 0.084538 -0.093755 26O 2px 0.006883 -0.065934 -0.371120 -0.208287 0.044032 -0.626378 26O 2py 0.039661 -0.020535 -0.189340 -0.082874 0.071977 -0.274330 26O 3pz -0.336892 -0.257551 -0.100441 0.213266 -0.185499 0.182932 26O 3px -0.139799 -0.178095 -0.998924 -0.348032 -0.003101 -0.964622 26O 3py 0.028322 -0.001689 -0.093066 0.084221 -0.125769 -0.406043 26O 1dz2 -0.001626 0.002200 -0.000462 0.005602 -0.003360 0.007058 26O 1dxz 0.001213 -0.001709 0.000029 0.000084 0.000284 0.001552 26O 1dyz -0.000916 0.003845 0.000964 -0.001370 -0.005768 0.002044 26O 1dx2y2 0.001192 0.000827 -0.002772 0.001905 0.002776 -0.004313 26O 1dxy 0.000202 -0.001618 -0.001497 -0.001484 0.001053 -0.002628 26O 2dz2 0.066229 -0.006051 -0.115624 -0.015870 0.122139 -0.086941 26O 2dxz 0.157961 0.054373 0.014801 -0.080825 0.077502 -0.016034 26O 2dyz 0.066076 -0.013386 0.164230 -0.009185 0.129287 0.038401 26O 2dx2y2 0.077007 0.094271 0.140786 0.126546 -0.202569 0.195306 26O 2dxy -0.123355 -0.071410 0.045231 0.076324 0.050418 0.249008 26O 1f0 0.004739 -0.001091 0.004692 -0.002916 0.003593 0.002543 26O 1f+1 0.001471 -0.000256 0.013221 0.001622 -0.003401 0.009853 26O 1f-1 0.001337 -0.005688 0.008857 -0.000979 0.001959 0.001997 26O 1f+2 -0.001860 0.002809 0.000606 -0.000609 -0.009235 -0.000505 26O 1f-2 -0.000643 -0.001107 -0.004507 -0.001482 -0.001083 -0.009077 26O 1f+3 0.000018 -0.001378 0.007846 0.004090 -0.007091 0.006775 26O 1f-3 -0.002994 -0.003015 0.017314 0.010509 -0.002631 0.023404 27O 1s 0.001459 0.003543 -0.004056 0.004037 -0.000354 0.000051 27O 2s 0.004906 0.009869 -0.014083 0.007163 -0.000566 0.000345 27O 3s -0.038439 -0.030160 0.100832 0.061024 -0.012498 -0.006306 27O 4s 0.144893 -0.216814 -0.252066 -0.519620 0.058667 0.125694 27O 5s 0.346124 1.104075 -0.656826 -0.816137 0.721326 -0.032074 27O 1pz 0.014448 0.034715 -0.009935 0.059117 0.013884 -0.005018 27O 1px 0.007150 -0.009497 0.012174 0.001899 -0.024328 0.010658 27O 1py -0.041147 -0.042429 -0.005409 -0.066701 -0.054724 -0.030866 27O 2pz 0.031243 -0.014401 -0.005791 -0.090247 0.009568 0.015936 27O 2px -0.134401 -0.006256 0.255390 0.315248 -0.117290 -0.053371 27O 2py 0.026467 0.008357 -0.042517 -0.002419 0.046742 -0.007966 27O 3pz 0.293171 0.235152 -0.185756 0.022171 0.021542 0.402212 27O 3px -0.043174 -0.021843 0.214358 0.551618 -0.254956 0.166813 27O 3py 0.096696 -0.035586 0.138953 -0.161946 0.055103 0.131605 27O 1dz2 0.000681 0.002003 -0.003085 -0.000018 -0.001819 0.002467 27O 1dxz 0.001601 0.003063 -0.002521 0.000407 -0.000176 -0.000034 27O 1dyz -0.000866 0.003117 0.000930 -0.005792 0.000622 -0.003833 27O 1dx2y2 -0.004061 0.002807 0.002720 -0.000008 -0.005403 -0.002216 27O 1dxy -0.003550 -0.003004 0.000713 -0.001352 -0.000063 -0.002292 27O 2dz2 0.027472 0.069394 -0.002692 0.117241 -0.031702 0.110188 27O 2dxz -0.162330 -0.001630 0.010769 -0.097497 0.030662 -0.147562 27O 2dyz 0.118010 -0.077561 0.025084 0.050962 0.053795 0.075031 27O 2dx2y2 -0.048445 0.005004 -0.111612 0.086827 0.114299 -0.059309 27O 2dxy -0.127072 -0.114579 0.040162 0.199509 0.014660 -0.124923 27O 1f0 -0.003405 -0.006638 0.000915 -0.000317 -0.000711 0.000384 27O 1f+1 -0.000018 0.003348 -0.004972 -0.006148 0.007439 -0.005909 27O 1f-1 0.000627 -0.000925 0.001279 0.003621 -0.003602 0.003454 27O 1f+2 0.001545 -0.005076 -0.002257 0.005553 0.001537 0.002511 27O 1f-2 0.002083 -0.001542 -0.003136 0.003476 -0.000075 0.002470 27O 1f+3 0.003611 0.009554 -0.004351 -0.003253 0.003211 -0.000816 27O 1f-3 -0.001990 -0.006226 0.006099 0.011218 0.003239 0.001283 28O 1s 0.000121 -0.002294 -0.000045 -0.001175 0.000084 0.001082 28O 2s 0.002381 -0.008604 0.002321 -0.003441 0.000934 -0.001458 28O 3s -0.054487 0.079682 -0.073733 0.010356 -0.014991 0.104820 28O 4s 0.243536 -0.264434 0.333612 0.003517 0.071838 -0.627849 28O 5s 0.701926 -0.799980 1.595631 0.096464 -0.186568 -1.371258 28O 1pz -0.017617 -0.014360 0.012903 0.027650 -0.068954 0.003003 28O 1px 0.002581 -0.026132 0.015799 0.028110 -0.046009 0.001767 28O 1py -0.026108 -0.012292 0.043325 0.003910 -0.076027 -0.006426 28O 2pz -0.124521 0.183086 -0.285491 0.000445 0.082977 0.338166 28O 2px 0.141068 -0.219401 0.284706 -0.000647 -0.020205 -0.375005 28O 2py -0.030237 0.050479 -0.075411 0.005117 0.058228 0.064270 28O 3pz -0.193698 -0.014156 0.011542 -0.358040 -0.485484 0.568653 28O 3px 0.406422 -0.300578 0.871777 -0.103864 -0.111585 -0.911974 28O 3py -0.258880 -0.502555 0.010704 -0.066409 -0.155680 0.093692 28O 1dz2 -0.001418 -0.000329 0.001101 0.003721 -0.002829 0.001179 28O 1dxz 0.002633 -0.000374 0.003317 0.000787 -0.002631 -0.009076 28O 1dyz -0.001172 -0.002905 0.003605 -0.000780 -0.005264 -0.002980 28O 1dx2y2 0.002417 0.005656 -0.001177 0.001080 0.004000 0.001820 28O 1dxy 0.000051 -0.000209 -0.001151 -0.000943 0.000678 -0.004069 28O 2dz2 -0.163066 0.035399 -0.197296 -0.006110 0.192095 0.011301 28O 2dxz -0.067943 0.125181 -0.066855 -0.047057 0.028929 0.160570 28O 2dyz 0.241940 0.048100 0.207350 -0.021771 0.049661 -0.080340 28O 2dx2y2 0.039931 -0.036150 0.166558 -0.028943 -0.063541 -0.102306 28O 2dxy -0.177162 -0.195543 -0.006011 -0.045665 0.022241 0.060784 28O 1f0 -0.001033 -0.005663 0.004379 0.000117 -0.001154 -0.004121 28O 1f+1 0.002389 -0.005131 0.006622 -0.001276 0.004069 -0.005145 28O 1f-1 -0.001689 0.002504 -0.000689 0.000254 0.003668 0.009776 28O 1f+2 -0.005504 0.007265 -0.012038 -0.003071 0.002163 0.009813 28O 1f-2 0.002345 -0.002944 0.005848 0.001208 -0.000917 0.000280 28O 1f+3 -0.005923 0.001978 -0.010701 -0.002230 0.006702 0.009774 28O 1f-3 0.005440 0.004272 -0.001183 0.001833 0.004774 -0.000272 29O 1s 0.000641 0.000571 0.000524 -0.000316 0.001040 0.000537 29O 2s 0.002681 0.003113 0.004536 -0.002427 0.003987 0.000954 29O 3s -0.029139 -0.046439 -0.086432 0.046523 -0.036285 0.009211 29O 4s 0.102922 0.179205 0.392227 -0.202609 0.128758 -0.079160 29O 5s -0.128351 -0.162341 -0.558423 0.191733 -0.227271 0.129040 29O 1pz -0.002912 -0.008175 -0.001847 0.024172 -0.007743 0.010746 29O 1px 0.001524 0.019712 0.041936 -0.029002 0.006596 -0.000744 29O 1py 0.015060 0.042087 0.068318 -0.033275 0.010048 -0.004754 29O 2pz 0.013420 0.023992 -0.029550 -0.050021 0.034714 -0.034486 29O 2px 0.015557 0.019125 -0.001793 -0.017550 0.017075 -0.006994 29O 2py -0.031135 -0.068895 -0.105536 0.061786 -0.027383 0.014685 29O 3pz -0.084332 -0.096390 -0.031857 0.038986 -0.069864 0.026117 29O 3px 0.020786 0.056758 0.331213 -0.154104 0.136929 -0.122259 29O 3py 0.065349 0.050119 0.079180 0.048724 0.128877 0.041377 29O 1dz2 -0.000187 -0.000328 -0.000050 -0.000755 0.000025 -0.001349 29O 1dxz -0.000861 -0.000185 0.000840 0.000324 -0.000143 0.001472 29O 1dyz 0.000869 0.000107 -0.001302 -0.001362 0.001000 0.002111 29O 1dx2y2 0.000192 -0.001034 -0.000336 -0.000042 -0.000245 0.000889 29O 1dxy 0.000652 0.000237 0.001315 -0.000457 0.000913 0.001634 29O 2dz2 0.025566 0.043407 0.029819 -0.048108 0.040900 0.008451 29O 2dxz -0.033743 -0.003323 0.030346 0.027040 -0.085779 -0.019329 29O 2dyz -0.018250 -0.023454 0.013289 0.094723 -0.042345 0.008550 29O 2dx2y2 -0.013034 -0.006720 0.031496 0.056326 0.022142 0.003570 29O 2dxy -0.018499 -0.037484 -0.056706 0.042080 -0.086989 0.020135 29O 1f0 -0.001073 -0.003308 -0.008100 0.004274 -0.001035 0.000689 29O 1f+1 0.001381 0.001858 0.002134 -0.002415 0.000916 -0.001320 29O 1f-1 -0.001362 -0.003179 -0.009730 0.003612 -0.001091 -0.000146 29O 1f+2 0.000378 0.001655 0.003211 -0.000372 0.000010 0.001212 29O 1f-2 -0.002968 -0.005978 -0.004270 0.006265 -0.003483 0.003568 29O 1f+3 0.001142 0.003267 0.002025 -0.002348 0.002009 -0.001091 29O 1f-3 0.001265 0.003111 0.000530 -0.002859 0.000984 -0.002252 30O 1s 0.002453 0.003428 -0.003532 -0.000461 0.000483 0.002488 30O 2s 0.004556 0.014062 -0.006102 -0.000125 -0.000559 0.003828 30O 3s 0.039921 -0.151970 -0.071983 -0.029645 0.044864 0.070383 30O 4s -0.333798 0.537355 0.602570 0.179178 -0.225270 -0.528960 30O 5s -0.718087 1.948934 1.052159 0.644780 -0.722031 -0.771997 30O 1pz 0.003448 0.021648 -0.008180 0.022885 0.004979 0.028373 30O 1px -0.029868 0.049124 -0.004165 0.098617 0.007995 -0.028048 30O 1py -0.029078 -0.018882 -0.007809 -0.080362 -0.024669 0.021239 30O 2pz 0.098173 -0.323432 -0.213544 -0.140498 0.080984 0.187156 30O 2px -0.195224 0.369703 0.299519 0.162353 -0.137838 -0.305266 30O 2py -0.088861 0.362184 0.248718 0.170199 -0.062203 -0.190694 30O 3pz 0.116815 -0.180962 -0.694290 0.289694 0.509452 -0.059594 30O 3px -0.256639 1.063394 0.702274 0.316238 -0.182357 -0.501692 30O 3py -0.471943 -0.317343 0.645730 -0.448467 -0.258666 -0.576040 30O 1dz2 -0.001957 0.000139 -0.003883 0.001541 -0.003566 -0.000097 30O 1dxz -0.003113 0.002677 0.003553 0.005919 -0.000749 -0.005761 30O 1dyz -0.000481 -0.002513 0.000354 -0.002620 0.000249 0.001859 30O 1dx2y2 -0.000317 -0.004886 -0.000560 -0.007009 -0.001355 0.003765 30O 1dxy 0.000021 -0.005674 -0.006722 -0.003348 0.000183 0.000265 30O 2dz2 0.236468 -0.051231 -0.095685 -0.058850 -0.136714 0.289203 30O 2dxz -0.022099 -0.192147 -0.150210 -0.087173 0.096827 -0.029759 30O 2dyz 0.018607 -0.175795 -0.117746 0.110454 0.121976 -0.005304 30O 2dx2y2 0.089766 0.284645 0.009210 0.136522 0.050326 -0.047180 30O 2dxy -0.188913 -0.022022 0.060776 0.150873 0.003256 -0.217423 30O 1f0 -0.000823 0.014438 0.012864 0.006653 -0.002765 -0.005513 30O 1f+1 0.003070 -0.002149 0.001311 -0.006321 -0.000507 0.002263 30O 1f-1 -0.003599 0.003784 0.000775 0.001172 -0.001729 -0.003580 30O 1f+2 -0.000196 -0.004879 -0.001401 -0.003429 0.000931 0.000764 30O 1f-2 0.007070 -0.015283 -0.009775 -0.006845 0.005113 0.014068 30O 1f+3 -0.003470 -0.001824 -0.001550 -0.006345 -0.003979 -0.001160 30O 1f-3 0.009065 -0.005537 -0.006839 -0.002066 0.004212 0.009901 31O 1s -0.002698 0.003375 -0.003578 0.000632 -0.000390 0.002372 31O 2s -0.005484 0.014549 -0.006057 0.000333 0.000944 0.003771 31O 3s -0.031329 -0.167777 -0.076049 0.035526 -0.048371 0.064407 31O 4s 0.304844 0.618015 0.623925 -0.221412 0.241029 -0.494055 31O 5s 0.634283 2.130843 1.103799 -0.707977 0.776348 -0.674168 31O 1pz 0.004070 -0.018950 0.009923 0.021860 0.006292 -0.028345 31O 1px -0.027543 -0.052131 0.006562 0.097963 0.007042 0.025598 31O 1py -0.030028 0.015903 0.003105 -0.080889 -0.022904 -0.020089 31O 2pz 0.081576 0.353599 0.219174 -0.154975 0.087746 -0.172209 31O 2px -0.175352 -0.418103 -0.309472 0.184261 -0.147721 0.283700 31O 2py -0.070322 -0.393254 -0.253110 0.186901 -0.070567 0.176336 31O 3pz 0.115771 0.204702 0.732645 0.254941 0.478587 0.096354 31O 3px -0.208441 -1.150409 -0.718742 0.363597 -0.222378 0.465729 31O 3py -0.498252 0.295933 -0.683995 -0.401536 -0.271911 0.555330 31O 1dz2 0.001931 0.000317 -0.003844 -0.001296 0.003271 0.000203 31O 1dxz 0.002966 0.003144 0.003403 -0.006260 0.001301 -0.005501 31O 1dyz 0.000672 -0.002319 0.000557 0.002597 -0.000148 0.001800 31O 1dx2y2 0.000649 -0.005131 -0.000310 0.007081 0.001318 0.003582 31O 1dxy 0.000259 -0.005964 -0.006695 0.003730 -0.000543 0.000058 31O 2dz2 -0.233813 -0.066300 -0.091840 0.073032 0.111380 0.300813 31O 2dxz 0.032701 -0.204587 -0.154380 0.093392 -0.087644 -0.040851 31O 2dyz -0.009081 -0.191432 -0.130899 -0.105658 -0.115486 -0.015422 31O 2dx2y2 -0.103571 0.282408 0.003876 -0.136583 -0.053779 -0.046122 31O 2dxy 0.189691 -0.004443 0.059893 -0.158757 0.013645 -0.212162 31O 1f0 -0.000117 -0.015355 -0.013007 0.007465 -0.002934 0.004898 31O 1f+1 0.002978 0.002342 -0.001627 -0.006329 -0.000413 -0.002181 31O 1f-1 -0.003339 -0.004163 -0.000873 0.001277 -0.001695 0.003310 31O 1f+2 -0.000337 0.005165 0.001485 -0.003399 0.000631 -0.000511 31O 1f-2 0.006373 0.017017 0.010162 -0.007572 0.005053 -0.013256 31O 1f+3 -0.003542 0.001411 0.001125 -0.006404 -0.003378 0.001034 31O 1f-3 0.008865 0.006582 0.007156 -0.002617 0.004293 -0.009366 32O 1s -0.000739 0.000523 0.000515 0.000305 -0.001156 0.000409 32O 2s -0.002997 0.002928 0.004534 0.002300 -0.004553 0.000469 32O 3s 0.031194 -0.044767 -0.087135 -0.043857 0.043787 0.013577 32O 4s -0.104792 0.173757 0.395534 0.189314 -0.156618 -0.093686 32O 5s 0.115705 -0.153618 -0.556070 -0.169872 0.256566 0.148419 32O 1pz -0.003169 0.008051 0.003542 0.025007 -0.008730 -0.013150 32O 1px 0.001800 -0.020116 -0.042741 -0.027520 0.009171 0.003209 32O 1py 0.016650 -0.041714 -0.069122 -0.030820 0.014531 0.007682 32O 2pz 0.014635 -0.019042 0.026397 -0.052641 0.034342 0.040372 32O 2px 0.016952 -0.016281 0.000867 -0.018235 0.018695 0.008364 32O 2py -0.033346 0.066101 0.107324 0.056969 -0.034782 -0.018087 32O 3pz -0.082079 0.073903 0.025643 0.040670 -0.074802 -0.033221 32O 3px 0.016047 -0.063337 -0.338875 -0.138524 0.149764 0.141152 32O 3py 0.063634 -0.040130 -0.072472 0.052731 0.136127 -0.032900 32O 1dz2 0.000281 -0.000412 0.000098 0.000611 0.000204 -0.001408 32O 1dxz 0.000844 -0.000041 0.000911 -0.000368 0.000030 0.001448 32O 1dyz -0.000839 -0.000001 -0.001300 0.001524 -0.001273 0.001988 32O 1dx2y2 -0.000050 -0.001038 -0.000295 -0.000016 0.000354 0.000928 32O 1dxy -0.000629 0.000184 0.001321 0.000453 -0.001069 0.001595 32O 2dz2 -0.027876 0.040874 0.031328 0.049954 -0.047307 0.002852 32O 2dxz 0.033861 0.003931 0.032241 -0.026308 0.087356 -0.014903 32O 2dyz 0.019804 -0.019632 0.012376 -0.094748 0.042801 0.013483 32O 2dx2y2 0.013330 -0.003964 0.030555 -0.055071 -0.024768 -0.000521 32O 2dxy 0.020019 -0.034358 -0.057396 -0.037824 0.089688 0.030989 32O 1f0 -0.001132 0.003215 0.007726 0.003783 -0.001532 -0.000788 32O 1f+1 0.001587 -0.001883 -0.002525 -0.002613 0.001261 0.001510 32O 1f-1 -0.001548 0.003616 0.010196 0.003519 -0.001982 -0.000128 32O 1f+2 0.000627 -0.001961 -0.003636 -0.000585 0.000529 -0.001125 32O 1f-2 -0.003112 0.005248 0.004233 0.006105 -0.003876 -0.004024 32O 1f+3 0.001245 -0.002876 -0.001896 -0.002098 0.002183 0.001211 32O 1f-3 0.001371 -0.002765 -0.000516 -0.002843 0.001129 0.002517 33O 1s -0.000063 -0.002322 -0.000078 0.001214 -0.000054 0.000953 33O 2s -0.002051 -0.009193 0.002099 0.003364 -0.000408 -0.001768 33O 3s 0.049458 0.093122 -0.069722 -0.005488 0.003294 0.104113 33O 4s -0.224120 -0.329105 0.316796 -0.029102 -0.016175 -0.618506 33O 5s -0.650682 -0.968624 1.535515 -0.188090 0.225802 -1.312561 33O 1pz -0.018197 0.014667 -0.011634 0.027259 -0.065491 -0.007634 33O 1px 0.001484 0.029860 -0.013879 0.028492 -0.043917 -0.006221 33O 1py -0.025357 0.011739 -0.044261 0.006193 -0.074445 0.001432 33O 2pz -0.112606 -0.221102 0.273713 -0.016951 0.101807 -0.325467 33O 2px 0.127742 0.263013 -0.273935 0.018694 -0.051641 0.364738 33O 2py -0.027963 -0.056852 0.073459 0.001090 0.058071 -0.061302 33O 3pz -0.169713 0.012115 -0.040042 -0.367799 -0.394375 -0.565368 33O 3px 0.382304 0.383200 -0.850249 -0.051586 -0.153824 0.890732 33O 3py -0.276591 0.527695 -0.004024 -0.075204 -0.090305 -0.089589 33O 1dz2 0.001349 -0.000459 0.000934 -0.003702 0.002680 0.001511 33O 1dxz -0.002590 -0.001026 0.003117 -0.001124 0.003082 -0.008796 33O 1dyz 0.001190 -0.002869 0.003664 0.000583 0.005266 -0.002686 33O 1dx2y2 -0.002655 0.005926 -0.001220 -0.000961 -0.004154 0.001539 33O 1dxy 0.000031 -0.000263 -0.001194 0.000968 -0.000859 -0.004113 33O 2dz2 0.166833 0.039019 -0.197926 0.015685 -0.194464 0.005852 33O 2dxz 0.059750 0.143638 -0.057565 0.052762 -0.040457 0.153479 33O 2dyz -0.243351 0.036881 0.204335 0.011000 -0.036416 -0.083298 33O 2dx2y2 -0.036371 -0.050684 0.164000 0.022112 0.067850 -0.095580 33O 2dxy 0.187486 -0.188770 -0.004252 0.050688 -0.044825 0.057801 33O 1f0 -0.001395 0.005902 -0.004232 0.000380 -0.001600 0.003942 33O 1f+1 0.001924 0.005734 -0.006420 -0.000830 0.002770 0.005069 33O 1f-1 -0.001528 -0.002935 0.000507 0.000096 0.004156 -0.009520 33O 1f+2 -0.004828 -0.008704 0.011544 -0.003750 0.003321 -0.009150 33O 1f-2 0.002219 0.003439 -0.005733 0.001483 -0.001253 -0.000391 33O 1f+3 -0.005767 -0.002905 0.010356 -0.002876 0.007439 -0.009113 33O 1f-3 0.005604 -0.004191 0.001268 0.001821 0.004318 0.000482 34O 1s -0.001679 0.003593 -0.004211 -0.003821 0.000506 0.000189 34O 2s -0.005418 0.009601 -0.014379 -0.006345 0.000555 0.000579 34O 3s 0.037561 -0.019428 0.099150 -0.068320 0.023695 -0.003631 34O 4s -0.120015 -0.272738 -0.235875 0.543967 -0.127982 0.106656 34O 5s -0.353018 0.939225 -0.638367 0.888555 -0.821636 -0.108364 34O 1pz 0.015893 -0.031846 0.013095 0.058469 0.011815 0.005650 34O 1px 0.006717 0.005365 -0.013037 0.002336 -0.023946 -0.012138 34O 1py -0.043504 0.037813 0.000546 -0.066093 -0.056228 0.029749 34O 2pz 0.031322 0.018274 0.003012 -0.090669 0.012753 -0.013405 34O 2px -0.121739 -0.048397 -0.248825 0.339107 -0.171862 0.033626 34O 2py 0.023579 0.003864 0.043111 -0.008149 0.059263 0.009886 34O 3pz 0.294928 -0.183909 0.195396 -0.002254 0.055524 -0.394409 34O 3px -0.013337 -0.029613 -0.187673 0.582363 -0.339268 -0.193682 34O 3py 0.093466 -0.001547 -0.156096 -0.156591 0.091553 -0.129674 34O 1dz2 -0.000639 0.001671 -0.003119 0.000256 0.001656 0.002481 34O 1dxz -0.001776 0.002860 -0.002617 -0.000306 -0.000063 -0.000130 34O 1dyz 0.000577 0.003168 0.001140 0.005557 -0.000222 -0.003988 34O 1dx2y2 0.003798 0.003636 0.002911 -0.000283 0.005860 -0.001849 34O 1dxy 0.003805 -0.002977 0.000826 0.001316 0.000240 -0.002237 34O 2dz2 -0.031904 0.079411 -0.007874 -0.117773 0.039487 0.113386 34O 2dxz 0.158850 0.013338 0.014373 0.091065 -0.019001 -0.150623 34O 2dyz -0.117464 -0.083557 0.018827 -0.054054 -0.046385 0.072680 34O 2dx2y2 0.052470 -0.013091 -0.119614 -0.078760 -0.129682 -0.064499 34O 2dxy 0.131813 -0.108901 0.030539 -0.205371 -0.005078 -0.118576 34O 1f0 -0.003679 0.006133 -0.001034 -0.000253 -0.000793 -0.000421 34O 1f+1 -0.000119 -0.002226 0.004859 -0.006556 0.008659 0.006535 34O 1f-1 0.000588 0.000656 -0.001246 0.003619 -0.003771 -0.003805 34O 1f+2 0.001143 0.005490 0.002518 0.005246 0.001970 -0.002641 34O 1f-2 0.001874 0.001995 0.003353 0.003153 0.000428 -0.002464 34O 1f+3 0.003713 -0.008349 0.004327 -0.003665 0.004528 0.001253 34O 1f-3 -0.002100 0.005647 -0.005551 0.011657 0.001926 -0.001486 35O 1s 0.001531 -0.003981 0.000592 -0.001457 0.002885 0.001322 35O 2s 0.003960 -0.010424 0.005222 -0.005829 0.006886 0.009677 35O 3s -0.006948 0.011149 -0.102570 0.062872 -0.008732 -0.171006 35O 4s -0.068633 0.298519 0.366228 -0.202556 -0.092830 0.766248 35O 5s 0.181952 -0.349312 1.866940 -0.723244 0.044805 1.684352 35O 1pz -0.014357 0.000382 -0.032667 0.027432 -0.081905 -0.007143 35O 1px 0.018278 -0.017562 0.017970 -0.003412 0.047552 0.028860 35O 1py -0.013160 0.023124 -0.007136 -0.035351 -0.054624 0.010755 35O 2pz 0.013917 0.011678 0.073064 -0.079759 0.073907 0.101039 35O 2px 0.008341 0.114382 0.368392 -0.206951 -0.007682 0.633223 35O 2py 0.040452 0.043063 0.189616 -0.083538 0.046539 0.282508 35O 3pz -0.343481 0.194159 0.095886 0.203141 -0.159371 -0.201948 35O 3px -0.139212 0.225763 0.989023 -0.368318 -0.131108 0.975856 35O 3py 0.039096 0.000417 0.094032 0.096752 -0.188202 0.398841 35O 1dz2 0.001598 0.002411 -0.000681 -0.005379 0.002507 0.007311 35O 1dxz -0.001139 -0.001872 -0.000131 0.000006 -0.000065 0.001403 35O 1dyz 0.000774 0.003767 0.001012 0.001368 0.005546 0.002320 35O 1dx2y2 -0.001236 0.000390 -0.002905 -0.001915 -0.002461 -0.004384 35O 1dxy -0.000109 -0.002002 -0.001569 0.001506 -0.000599 -0.002733 35O 2dz2 -0.063773 -0.018501 -0.116804 0.019291 -0.117612 -0.095507 35O 2dxz -0.163743 0.046845 0.017168 0.081402 -0.082351 -0.026066 35O 2dyz -0.068237 -0.012463 0.163032 0.003087 -0.141787 0.031795 35O 2dx2y2 -0.081081 0.108267 0.143494 -0.129934 0.190445 0.213570 35O 2dxy 0.128435 -0.051708 0.042635 -0.069067 -0.077373 0.249558 35O 1f0 0.004680 0.000936 -0.004832 -0.002823 0.003456 -0.002271 35O 1f+1 0.001352 -0.000506 -0.013357 0.001905 -0.002494 -0.010200 35O 1f-1 0.001090 0.005310 -0.008920 -0.000735 0.002275 -0.001853 35O 1f+2 -0.001760 -0.002976 -0.000775 -0.000512 -0.009110 -0.000132 35O 1f-2 -0.000656 0.001574 0.004504 -0.001486 -0.001464 0.009048 35O 1f+3 -0.000084 0.000782 -0.007778 0.004217 -0.006311 -0.007212 35O 1f-3 -0.003281 0.001463 -0.017035 0.010562 -0.000430 -0.023835 366 367 368 369 370 371 1.89452 1.89888 1.91234 1.92440 1.94248 1.95233 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s 0.000707 0.000122 0.000201 0.000424 -0.000373 0.000045 0Rh 2s -0.001660 0.000620 -0.001550 -0.002484 0.000614 -0.000275 0Rh 3s 0.003141 0.001099 0.000235 0.000975 -0.001819 0.000099 0Rh 4s 0.007934 -0.003206 0.007719 0.012289 -0.002760 0.001363 0Rh 5s 0.000789 0.011616 -0.013638 -0.018259 -0.005415 -0.002031 0Rh 6s -0.054676 -0.025827 0.005496 -0.006424 0.043766 -0.000863 0Rh 7s -0.055780 -0.243768 0.006725 0.080314 -0.312328 0.077845 0Rh 8s -0.116064 -0.125844 0.038875 0.187841 -0.026432 -0.001553 0Rh 1pz 0.013656 0.006042 0.011955 0.012083 -0.011200 -0.000844 0Rh 1px -0.000486 -0.000551 0.012908 0.007795 0.017983 0.001894 0Rh 1py -0.005346 -0.012638 -0.005717 0.019422 -0.009098 -0.002491 0Rh 2pz -0.046635 -0.020612 -0.040517 -0.040892 0.038902 0.002646 0Rh 2px 0.001410 0.001377 -0.044569 -0.027040 -0.062819 -0.006553 0Rh 2py 0.018160 0.043186 0.019437 -0.066545 0.030740 0.008932 0Rh 3pz 0.007579 0.002583 -0.000087 -0.000691 -0.018514 0.005379 0Rh 3px 0.005909 0.011506 0.016905 0.013052 0.037988 0.002815 0Rh 3py 0.000781 -0.006921 -0.000710 0.014142 0.002669 -0.011050 0Rh 4pz 0.260180 0.119419 0.251735 0.252527 -0.175942 -0.043221 0Rh 4px -0.039634 -0.062509 0.212479 0.116259 0.247128 0.029333 0Rh 4py -0.126537 -0.244408 -0.120435 0.362108 -0.203508 -0.006025 0Rh 5pz -0.430474 -0.205336 -0.400227 -0.395651 0.303972 0.095838 0Rh 5px 0.120482 0.162763 -0.346721 -0.187684 -0.420727 -0.047543 0Rh 5py 0.246365 0.411411 0.201695 -0.591299 0.334373 -0.020356 0Rh 6pz 1.185224 0.419923 0.786254 0.889777 -0.651043 -0.341485 0Rh 6px -0.581885 -0.666275 0.769628 0.527046 1.401350 0.015153 0Rh 6py 0.005492 -1.155013 -0.425421 1.128390 -0.759227 0.171052 0Rh 1dz2 -0.001602 -0.005220 0.007054 -0.003416 -0.011519 -0.010250 0Rh 1dxz -0.001310 0.001871 0.000906 -0.009602 -0.007829 0.000184 0Rh 1dyz 0.011298 -0.009559 -0.004941 0.000999 0.002669 0.003892 0Rh 1dx2y2 -0.006741 -0.004954 0.009086 -0.000373 0.003286 -0.002258 0Rh 1dxy 0.006404 -0.002026 0.001309 -0.001993 0.003232 -0.006508 0Rh 2dz2 -0.000166 0.000793 0.000049 0.002241 0.001553 0.001453 0Rh 2dxz 0.000220 -0.000517 -0.000218 0.001120 0.003312 -0.000575 0Rh 2dyz -0.001369 0.001212 0.001825 0.001266 -0.003176 -0.000270 0Rh 2dx2y2 0.002230 0.001678 -0.003078 -0.000806 -0.002925 0.000079 0Rh 2dxy 0.000374 -0.000446 0.000442 -0.001341 -0.001373 0.001225 0Rh 3dz2 0.004842 0.009562 -0.018285 -0.001352 0.022272 0.019730 0Rh 3dxz 0.002545 -0.002377 -0.001160 0.019316 0.005012 0.002058 0Rh 3dyz -0.022095 0.018478 0.004386 -0.008221 0.007222 -0.008804 0Rh 3dx2y2 0.007112 0.005094 -0.009183 0.004585 0.004913 0.005440 0Rh 3dxy -0.017611 0.006738 -0.005270 0.011171 -0.002168 0.011194 0Rh 4dz2 -0.003086 0.013508 0.004038 0.036376 0.027979 0.021105 0Rh 4dxz -0.000999 -0.010094 -0.007245 0.019267 0.056022 -0.008226 0Rh 4dyz -0.027093 0.023533 0.028836 0.020294 -0.045977 -0.004128 0Rh 4dx2y2 0.035966 0.027108 -0.051613 -0.013099 -0.049982 0.000295 0Rh 4dxy 0.002407 0.000394 0.007285 -0.024495 -0.019127 0.018361 0Rh 5dz2 0.026743 -0.046407 -0.067805 -0.160420 -0.121793 -0.035998 0Rh 5dxz 0.055751 0.063176 0.083292 -0.059481 -0.242692 0.022788 0Rh 5dyz 0.128178 -0.111053 -0.120959 -0.096844 0.134304 0.023966 0Rh 5dx2y2 -0.159666 -0.127418 0.222222 0.045144 0.204960 0.017262 0Rh 5dxy -0.029930 -0.068648 -0.059682 0.152030 0.013506 -0.040148 0Rh 1f0 0.023190 -0.086891 -0.087500 0.062199 -0.010799 -0.141520 0Rh 1f+1 0.036484 0.068371 -0.044724 0.005009 -0.006789 0.033833 0Rh 1f-1 0.166603 -0.060495 0.090930 0.189535 -0.115915 -0.003061 0Rh 1f+2 -0.007262 -0.040300 -0.100112 -0.084986 -0.107523 -0.042215 0Rh 1f-2 -0.107255 0.039624 -0.027529 0.035929 -0.031677 -0.020055 0Rh 1f+3 0.078058 0.099113 -0.002269 0.036471 -0.028793 -0.056873 0Rh 1f-3 0.088344 -0.134086 -0.010146 -0.036884 -0.025679 -0.050020 1Rh 1s 0.000672 0.000102 -0.000159 -0.000388 0.000405 0.000044 1Rh 2s -0.001543 0.000722 0.001385 0.002315 -0.000750 -0.000288 1Rh 3s 0.003009 0.001042 -0.000086 -0.000867 0.001920 0.000080 1Rh 4s 0.007369 -0.003708 -0.006914 -0.011459 0.003430 0.001434 1Rh 5s 0.001142 0.012286 0.012870 0.017236 0.004646 -0.002319 1Rh 6s -0.052379 -0.025286 -0.007632 0.005153 -0.045028 0.000001 1Rh 7s -0.081030 -0.248031 0.001639 -0.066650 0.320771 0.070426 1Rh 8s -0.100971 -0.128936 -0.039174 -0.189507 0.029209 -0.004164 1Rh 1pz -0.013282 -0.006215 0.011458 0.011686 -0.011061 0.001378 1Rh 1px -0.000287 0.000862 0.012913 0.007518 0.018064 -0.002354 1Rh 1py 0.005745 0.012310 -0.006020 0.019581 -0.009059 0.002854 1Rh 2pz 0.045396 0.021210 -0.038821 -0.039512 0.038426 -0.004485 1Rh 2px 0.001275 -0.002456 -0.044590 -0.026090 -0.063103 0.008164 1Rh 2py -0.019465 -0.042086 0.020475 -0.067092 0.030580 -0.010157 1Rh 3pz -0.007936 -0.002804 -0.000373 -0.001426 -0.018476 -0.004817 1Rh 3px -0.007219 -0.010963 0.016972 0.012853 0.038176 -0.003910 1Rh 3py -0.001630 0.007082 -0.000938 0.014296 0.003335 0.010930 1Rh 4pz -0.252063 -0.122234 0.242085 0.247025 -0.172969 0.052685 1Rh 4px 0.027809 0.067087 0.212368 0.111044 0.248312 -0.035227 1Rh 4py 0.136996 0.237191 -0.125814 0.364963 -0.205717 0.014209 1Rh 5pz 0.419637 0.209797 -0.383719 -0.387825 0.298485 -0.111742 1Rh 5px -0.100112 -0.170068 -0.346822 -0.178753 -0.423062 0.057665 1Rh 5py -0.260828 -0.400548 0.209666 -0.596071 0.340588 0.006868 1Rh 6pz -1.122960 -0.427662 0.752016 0.874650 -0.642062 0.376133 1Rh 6px 0.517502 0.678681 0.771932 0.506305 1.402532 -0.047909 1Rh 6py 0.048013 1.131759 -0.454428 1.138519 -0.783934 -0.140570 1Rh 1dz2 -0.002101 -0.005068 -0.006968 0.003497 0.011199 -0.010536 1Rh 1dxz -0.001291 0.001855 -0.001084 0.009629 0.007866 0.000009 1Rh 1dyz 0.010850 -0.009284 0.005046 -0.000793 -0.002420 0.003917 1Rh 1dx2y2 -0.006391 -0.005022 -0.009274 0.000292 -0.003114 -0.002081 1Rh 1dxy 0.006755 -0.002227 -0.001007 0.002030 -0.003682 -0.006325 1Rh 2dz2 0.000076 0.000742 -0.000103 -0.002264 -0.001513 0.001451 1Rh 2dxz 0.000266 -0.000528 0.000243 -0.001132 -0.003332 -0.000485 1Rh 2dyz -0.001117 0.001093 -0.001851 -0.001294 0.003128 -0.000398 1Rh 2dx2y2 0.002031 0.001708 0.003138 0.000838 0.002922 -0.000005 1Rh 2dxy 0.000315 -0.000461 -0.000443 0.001345 0.001473 0.001167 1Rh 3dz2 0.005006 0.009415 0.018301 0.001247 -0.021635 0.020468 1Rh 3dxz 0.002286 -0.002291 0.001507 -0.019328 -0.005017 0.002092 1Rh 3dyz -0.022104 0.018318 -0.004527 0.007831 -0.007640 -0.008299 1Rh 3dx2y2 0.007122 0.005129 0.009395 -0.004520 -0.005333 0.005369 1Rh 3dxy -0.018236 0.007319 0.004522 -0.011282 0.002878 0.010983 1Rh 4dz2 0.001075 0.012543 -0.004819 -0.036693 -0.027400 0.021145 1Rh 4dxz -0.000281 -0.010264 0.007528 -0.019455 -0.056365 -0.006629 1Rh 4dyz -0.022870 0.021503 -0.029456 -0.020817 0.045219 -0.006053 1Rh 4dx2y2 0.032652 0.027599 0.052537 0.013575 0.049845 -0.001157 1Rh 4dxy 0.001398 0.000084 -0.007607 0.024556 0.020582 0.017556 1Rh 5dz2 0.005868 -0.040493 0.071470 0.160984 0.121176 -0.035840 1Rh 5dxz 0.054874 0.063515 -0.082481 0.059957 0.244471 0.014823 1Rh 5dyz 0.106114 -0.099216 0.127541 0.098402 -0.130910 0.030926 1Rh 5dx2y2 -0.146053 -0.128801 -0.225824 -0.047174 -0.204494 0.023450 1Rh 5dxy -0.026657 -0.064870 0.063332 -0.152704 -0.017024 -0.038966 1Rh 1f0 -0.020387 0.085155 -0.089803 0.061529 -0.004245 0.141722 1Rh 1f+1 -0.027482 -0.070080 -0.049118 0.005023 -0.007371 -0.034813 1Rh 1f-1 -0.153494 0.057569 0.088160 0.186411 -0.113188 0.009190 1Rh 1f+2 -0.000349 0.039978 -0.098942 -0.081591 -0.105822 0.044177 1Rh 1f-2 0.120007 -0.045487 -0.030557 0.039363 -0.030760 0.021470 1Rh 1f+3 -0.077417 -0.098137 -0.003250 0.033701 -0.027500 0.058314 1Rh 1f-3 -0.082489 0.133557 -0.012006 -0.037324 -0.026721 0.050992 2C 1s 0.009651 -0.012589 -0.002238 -0.000639 -0.000719 -0.001466 2C 2s 0.037233 -0.047232 -0.010457 -0.007427 -0.002827 -0.005686 2C 3s -0.651070 0.578848 0.147744 0.100815 0.202039 0.105658 2C 4s 2.513475 -1.561926 -0.341075 -0.035775 -1.232213 -0.400296 2C 5s 1.152839 -2.168170 -0.027592 0.122273 -0.254307 0.038465 2C 1pz -0.152458 0.113377 -0.031442 0.084519 0.037753 -0.011435 2C 1px -0.035741 0.133071 0.103511 0.166443 -0.040235 -0.003386 2C 1py 0.018468 0.205512 0.168082 -0.042819 -0.077405 0.087843 2C 2pz 1.455841 -0.613356 0.077748 -0.158853 -0.729868 -0.128504 2C 2px 0.178270 -0.559293 -0.418082 -0.596938 -0.046663 -0.046914 2C 2py 0.535204 -0.882952 -0.544554 0.170870 -0.203952 -0.278977 2C 3pz 0.496887 -0.680144 -0.159608 0.032236 -0.116767 -0.117340 2C 3px 0.020277 -0.272025 -0.059728 -0.104060 0.101299 -0.002420 2C 3py 0.314765 -0.390422 0.102250 -0.077359 -0.128797 0.076153 2C 1dz2 -0.046308 -0.003033 0.003670 0.004550 0.030421 0.014272 2C 1dxz 0.003724 -0.002645 -0.010739 0.009810 -0.012665 0.004838 2C 1dyz -0.042390 -0.004338 -0.009158 -0.003217 0.034146 -0.000184 2C 1dx2y2 -0.009143 -0.031763 -0.014651 -0.004664 0.013188 0.005075 2C 1dxy 0.032854 0.021107 0.018634 -0.006905 -0.028027 -0.003507 2C 2dz2 0.500392 -0.150472 0.041634 -0.036701 -0.239451 -0.061289 2C 2dxz 0.152909 -0.141926 -0.045795 -0.026494 -0.163744 -0.043836 2C 2dyz 0.600595 -0.429537 -0.170438 -0.065201 -0.302829 -0.121154 2C 2dx2y2 -0.181171 0.077620 -0.003862 -0.099905 0.067998 0.030112 2C 2dxy 0.104345 -0.111926 -0.047953 -0.091650 -0.077090 -0.021726 2C 1f0 -0.045369 -0.047679 -0.029062 -0.008619 0.046671 0.004316 2C 1f+1 0.028705 0.004520 0.004562 -0.038008 -0.019622 -0.003103 2C 1f-1 0.031878 0.058619 0.037228 0.039484 -0.050898 0.003498 2C 1f+2 -0.005108 0.003717 0.016715 0.008024 0.008127 0.003426 2C 1f-2 0.015903 0.006891 0.001885 0.033088 -0.041344 0.001579 2C 1f+3 -0.041931 -0.042116 -0.035333 0.002335 0.028008 -0.000285 2C 1f-3 -0.006634 -0.030473 -0.029355 -0.050760 0.021531 0.007114 3C 1s -0.011196 0.007268 -0.000202 -0.000996 -0.001783 0.002790 3C 2s -0.041186 0.029942 -0.002848 -0.004721 -0.008428 0.009397 3C 3s 0.436714 -0.599169 -0.085972 0.280936 0.165906 -0.124912 3C 4s -0.951888 2.487449 0.829608 -1.576660 -0.557609 0.363930 3C 5s -1.885234 1.529777 -0.109626 -0.114225 0.300043 -0.135110 3C 1pz -0.003846 -0.024255 -0.171709 0.047658 0.008368 -0.068736 3C 1px 0.070775 -0.000195 0.013189 0.029100 0.174853 -0.028584 3C 1py -0.176697 0.077046 -0.185111 0.051285 0.009660 0.017648 3C 2pz -0.028843 0.729658 0.859529 -0.651192 -0.083027 0.193754 3C 2px -0.186923 0.365223 0.111666 -0.383486 -0.605433 -0.049736 3C 2py 0.653505 -1.263443 0.116788 0.556448 0.127112 -0.152771 3C 3pz -0.332519 0.273564 -0.081036 -0.077757 0.087370 -0.016939 3C 3px -0.239908 0.151539 -0.086637 0.022288 0.104672 -0.024768 3C 3py 0.582536 -0.569797 -0.087007 0.149971 0.119045 -0.085222 3C 1dz2 -0.002156 -0.006259 0.013696 -0.002068 -0.002397 0.002810 3C 1dxz 0.002663 0.008551 -0.022240 0.021909 0.001742 0.017207 3C 1dyz 0.019178 0.058734 0.030253 -0.050036 -0.013602 -0.005504 3C 1dx2y2 -0.013479 0.037778 -0.011267 -0.004453 -0.014480 0.012657 3C 1dxy -0.013205 0.006724 -0.001694 -0.002184 0.020001 -0.005746 3C 2dz2 0.084500 -0.127740 0.105780 0.050737 0.034357 0.013255 3C 2dxz -0.022200 0.210538 0.139507 -0.165697 -0.042119 -0.026294 3C 2dyz 0.195805 -0.556953 -0.139722 0.361704 0.129954 -0.102316 3C 2dx2y2 0.158994 -0.431793 -0.115279 0.249304 0.015151 -0.105870 3C 2dxy 0.066206 -0.365805 -0.140089 0.280297 0.149525 0.050181 3C 1f0 -0.044973 -0.003705 -0.066626 0.042390 -0.000740 0.010324 3C 1f+1 -0.018275 -0.015006 -0.020906 0.009705 -0.032013 -0.011805 3C 1f-1 0.025597 0.011999 0.035819 -0.059321 -0.003352 -0.010882 3C 1f+2 -0.033598 -0.035699 -0.052959 0.052899 -0.014715 0.000566 3C 1f-2 -0.020180 -0.020596 -0.028236 0.036843 0.019594 0.005967 3C 1f+3 0.001789 0.034552 -0.029909 0.005481 0.004997 0.000199 3C 1f-3 0.018231 0.025725 0.023521 -0.002230 0.016573 0.003703 4C 1s -0.008379 0.009630 0.003905 0.009468 0.001025 0.000758 4C 2s -0.027691 0.033358 0.013940 0.032028 0.003212 0.002858 4C 3s 0.465896 -0.928871 -0.517795 -0.885657 0.256290 -0.139002 4C 4s -1.672156 4.069147 2.308798 3.604023 -1.320391 0.663681 4C 5s -0.036995 1.321672 1.125323 1.907155 -0.904018 0.088761 4C 1pz -0.033099 -0.164171 -0.077581 -0.243062 0.131188 0.017203 4C 1px -0.104225 0.066676 0.137417 0.039702 0.191585 0.059749 4C 1py -0.106109 -0.107915 -0.109417 -0.018351 0.178718 -0.071827 4C 2pz 1.007131 0.547442 0.604778 1.302490 -0.755479 -0.216913 4C 2px 0.855460 -0.809658 -1.041315 -0.473965 -2.309393 -0.491323 4C 2py 1.126178 0.138046 0.291442 0.181048 -1.490602 0.327900 4C 3pz 1.407615 -2.305470 0.225676 0.456901 -0.203727 -0.039382 4C 3px 1.081909 -0.667286 -0.164205 -0.135625 -0.759677 -0.135188 4C 3py 1.257064 -1.646386 -0.172863 0.351353 -0.480415 -0.144527 4C 1dz2 -0.011204 0.006511 -0.008450 0.020419 -0.013975 0.008854 4C 1dxz -0.017712 -0.005845 -0.022727 0.009699 0.012517 0.002564 4C 1dyz -0.041945 -0.001781 0.004865 0.013858 0.024605 0.000968 4C 1dx2y2 -0.002702 -0.002704 -0.026926 -0.002535 0.003245 0.002524 4C 1dxy 0.009037 0.022069 0.016871 -0.007252 -0.013117 0.004929 4C 2dz2 -0.382190 0.279126 0.167812 -0.080756 0.669552 -0.051770 4C 2dxz -0.206577 -0.393990 -0.570280 -0.726842 -0.220284 -0.210913 4C 2dyz -0.451296 0.400583 0.145600 0.103963 0.190247 0.188018 4C 2dx2y2 0.408968 0.394275 0.390283 0.667739 -0.630985 -0.170775 4C 2dxy -0.257514 -0.188305 -0.163921 0.049030 -0.447250 0.031655 4C 1f0 0.018917 -0.016224 -0.001637 -0.035259 0.000986 0.009708 4C 1f+1 -0.014075 -0.056780 -0.031496 -0.054141 0.029340 0.002334 4C 1f-1 0.016068 -0.076373 -0.031075 -0.054857 0.047994 0.002010 4C 1f+2 -0.025567 0.061847 0.054397 0.044976 -0.002690 0.046860 4C 1f-2 0.042506 -0.022752 -0.011296 -0.039350 -0.025233 0.013061 4C 1f+3 0.002440 0.020592 0.001904 0.017914 0.021301 -0.037143 4C 1f-3 0.008285 -0.005783 -0.002429 -0.032645 0.045561 0.011919 5C 1s 0.009677 -0.007551 0.004541 0.002429 0.004877 -0.000926 5C 2s 0.032749 -0.024752 0.014671 0.008571 0.016986 -0.004273 5C 3s -0.822041 0.367054 -0.583963 0.089271 -0.433710 0.216097 5C 4s 3.440418 -1.224924 2.514105 -0.585342 1.799983 -1.063389 5C 5s 1.143433 -0.016954 1.500163 -0.511551 0.752419 -0.142186 5C 1pz -0.035211 -0.036105 -0.022271 0.116085 -0.107630 0.045784 5C 1px -0.189618 -0.210413 -0.050748 0.142485 0.164561 0.140254 5C 1py 0.189154 0.101679 0.305443 -0.181141 0.045530 0.017592 5C 2pz -0.148760 0.505183 0.496187 -0.704175 0.505726 -0.088470 5C 2px 1.477568 1.926509 0.301677 -1.247328 -1.219604 -1.337041 5C 2py -0.545997 -1.231509 -1.690932 1.468496 -0.228127 -0.317849 5C 3pz -1.205976 0.882201 0.274140 0.156577 0.123252 0.118743 5C 3px -0.693338 1.269346 -0.046321 -0.426399 -0.391238 0.013603 5C 3py 2.049994 -1.645750 -0.156546 0.318409 -0.349329 -0.127000 5C 1dz2 -0.003166 0.006516 0.004209 -0.040812 0.011589 0.006352 5C 1dxz 0.001511 -0.006002 -0.021725 0.005232 0.013712 0.007928 5C 1dyz -0.008627 0.033937 0.012320 -0.003384 -0.020922 -0.004136 5C 1dx2y2 0.003008 0.025781 -0.013689 -0.030401 -0.003560 -0.004108 5C 1dxy -0.002523 0.028981 -0.013122 -0.003465 0.014695 0.000069 5C 2dz2 -0.365509 -0.013834 -0.245091 0.176453 -0.060206 0.102721 5C 2dxz 0.049777 -0.259843 -0.359084 0.134104 -0.311639 -0.355023 5C 2dyz -0.116992 0.511808 -0.094979 -0.224672 -0.336994 -0.017099 5C 2dx2y2 0.466391 0.683820 0.692242 -0.672226 -0.067238 -0.499654 5C 2dxy -0.368459 0.051579 0.320877 -0.145585 0.429407 0.478911 5C 1f0 0.028223 -0.004978 0.009254 -0.015440 0.006173 -0.031283 5C 1f+1 -0.036260 -0.008102 -0.025071 0.030221 -0.001293 0.003680 5C 1f-1 0.000786 0.020721 -0.026755 -0.019322 0.000452 -0.043082 5C 1f+2 0.047353 -0.018555 0.040311 -0.005255 0.008345 0.022486 5C 1f-2 0.039951 -0.028236 0.043195 -0.015024 0.044235 -0.019073 5C 1f+3 -0.061221 -0.011812 -0.051835 0.020483 -0.023516 0.014168 5C 1f-3 0.025525 -0.006498 0.041834 -0.020594 0.007801 -0.014683 6C 1s 0.009908 -0.007811 -0.004358 -0.002391 -0.004892 -0.000860 6C 2s 0.033576 -0.025658 -0.014097 -0.008480 -0.017075 -0.003993 6C 3s -0.842312 0.389631 0.578821 -0.089952 0.440543 0.205087 6C 4s 3.523087 -1.319313 -2.503525 0.584340 -1.834637 -1.012007 6C 5s 1.173000 -0.040829 -1.492289 0.514822 -0.760758 -0.124832 6C 1pz 0.033248 0.036731 -0.025634 0.114541 -0.107539 -0.041341 6C 1px 0.180812 0.211632 -0.049093 0.145880 0.155110 -0.145517 6C 1py -0.191509 -0.103295 0.305139 -0.182202 0.045079 -0.017360 6C 2pz 0.146046 -0.515102 0.516723 -0.699148 0.491179 0.069314 6C 2px -1.382235 -1.944690 0.285601 -1.265568 -1.132850 1.379201 6C 2py 0.548132 1.251459 -1.700049 1.473189 -0.212286 0.317549 6C 3pz 1.188690 -0.879023 0.282731 0.161973 0.118642 -0.120590 6C 3px 0.749341 -1.292002 -0.025091 -0.437133 -0.388320 -0.002566 6C 3py -2.036082 1.643049 -0.176607 0.308628 -0.341635 0.141403 6C 1dz2 -0.002392 0.006413 -0.003790 0.040949 -0.011592 0.007168 6C 1dxz 0.000741 -0.006743 0.021528 -0.005320 -0.013423 0.008171 6C 1dyz -0.009238 0.034605 -0.012753 0.002897 0.020544 -0.004892 6C 1dx2y2 0.002362 0.026022 0.013401 0.030091 0.003125 -0.003814 6C 1dxy -0.004003 0.029516 0.012243 0.002884 -0.014528 0.000502 6C 2dz2 -0.373953 -0.007847 0.236376 -0.175553 0.071315 0.100809 6C 2dxz 0.049694 -0.255760 0.378047 -0.131907 0.294758 -0.362401 6C 2dyz -0.137026 0.525164 0.100566 0.223324 0.326150 -0.028678 6C 2dx2y2 0.459182 0.682564 -0.679472 0.673247 0.042297 -0.504106 6C 2dxy -0.345459 0.057164 -0.333692 0.147676 -0.394769 0.491864 6C 1f0 -0.027822 0.004774 0.008458 -0.015507 0.007386 0.030934 6C 1f+1 0.037506 0.008091 -0.024094 0.030492 -0.001494 -0.003615 6C 1f-1 0.000073 -0.020551 -0.025977 -0.019269 0.001657 0.042538 6C 1f+2 -0.049099 0.019720 0.040543 -0.005229 0.007797 -0.022544 6C 1f-2 -0.043235 0.029894 0.042849 -0.014896 0.044328 0.017582 6C 1f+3 0.060485 0.010706 -0.052258 0.020378 -0.024872 -0.013683 6C 1f-3 -0.025347 0.007007 0.041794 -0.020620 0.008121 0.014552 7C 1s -0.009728 0.009849 -0.004035 -0.009625 -0.000998 0.000736 7C 2s -0.032388 0.034113 -0.014393 -0.032634 -0.003143 0.002721 7C 3s 0.523231 -0.944469 0.524076 0.904448 -0.255576 -0.115425 7C 4s -1.845966 4.129480 -2.333655 -3.689117 1.310800 0.544148 7C 5s -0.092263 1.344583 -1.128603 -1.920983 0.898042 0.036102 7C 1pz 0.069325 0.161298 -0.073466 -0.244691 0.130120 -0.023752 7C 1px 0.103858 -0.064567 0.146534 0.042301 0.193658 -0.062897 7C 1py 0.125385 0.108365 -0.106446 -0.021891 0.183745 0.066649 7C 2pz -1.269082 -0.522106 0.571184 1.295729 -0.751560 0.254005 7C 2px -0.856816 0.797060 -1.126181 -0.485336 -2.332946 0.541780 7C 2py -1.279114 -0.133908 0.252033 0.189809 -1.523267 -0.285361 7C 3pz -1.381488 2.294370 0.208667 0.439384 -0.209904 0.057431 7C 3px -1.082414 0.674704 -0.196304 -0.150531 -0.763627 0.153241 7C 3py -1.244020 1.648487 -0.196609 0.334543 -0.483459 0.165289 7C 1dz2 -0.014826 0.007161 0.008350 -0.020129 0.014298 0.008420 7C 1dxz -0.020073 -0.004916 0.022222 -0.009680 -0.012347 0.003044 7C 1dyz -0.047074 -0.001055 -0.005505 -0.013855 -0.024448 0.001481 7C 1dx2y2 -0.001022 -0.002349 0.026696 0.001851 -0.002975 0.002573 7C 1dxy 0.005601 0.022018 -0.016639 0.007548 0.012907 0.004853 7C 2dz2 -0.409396 0.273275 -0.185000 0.080074 -0.679039 -0.036042 7C 2dxz -0.253650 -0.386444 0.578392 0.730084 0.227841 -0.206067 7C 2dyz -0.518239 0.409350 -0.157240 -0.113744 -0.196716 0.187035 7C 2dx2y2 0.422075 0.397036 -0.378816 -0.668519 0.627719 -0.200038 7C 2dxy -0.273460 -0.172864 0.170324 -0.057583 0.465567 0.015641 7C 1f0 -0.017934 0.016326 -0.001693 -0.035070 0.000890 -0.010315 7C 1f+1 0.014179 0.056909 -0.030571 -0.054240 0.028678 -0.004077 7C 1f-1 -0.015976 0.076912 -0.030711 -0.056266 0.047159 -0.004896 7C 1f+2 0.025132 -0.063058 0.056065 0.046914 -0.003482 -0.045904 7C 1f-2 -0.042137 0.023037 -0.012186 -0.040008 -0.025584 -0.013126 7C 1f+3 -0.001282 -0.020037 0.001886 0.017006 0.023392 0.036600 7C 1f-3 -0.006970 0.006211 -0.001682 -0.033024 0.045868 -0.013660 8C 1s -0.011328 0.007446 0.000168 0.001023 0.001898 0.002732 8C 2s -0.041820 0.030712 0.002664 0.004786 0.008795 0.009128 8C 3s 0.450026 -0.614816 0.089616 -0.282487 -0.170544 -0.119144 8C 4s -1.002166 2.547062 -0.842892 1.583433 0.570327 0.342772 8C 5s -1.878716 1.520425 0.079756 0.099706 -0.303807 -0.121040 8C 1pz 0.005535 0.024870 -0.169303 0.049674 0.011372 0.066122 8C 1px -0.071586 0.002724 0.020060 0.030164 0.175860 0.024614 8C 1py 0.180805 -0.079357 -0.181160 0.051338 0.007883 -0.017902 8C 2pz 0.032777 -0.742716 0.856242 -0.658596 -0.093530 -0.183282 8C 2px 0.196472 -0.380426 0.086254 -0.384462 -0.600540 0.064437 8C 2py -0.686984 1.292695 0.095876 0.556968 0.133901 0.146637 8C 3pz 0.335558 -0.273404 -0.076149 -0.073804 0.087614 0.012756 8C 3px 0.236668 -0.154830 -0.086724 0.024708 0.100836 0.021191 8C 3py -0.587279 0.575233 -0.094743 0.149455 0.119585 0.081974 8C 1dz2 -0.001850 -0.005711 -0.013441 0.001759 0.002166 0.002767 8C 1dxz 0.000666 0.008276 0.020606 -0.021790 -0.001186 0.016888 8C 1dyz 0.018316 0.059571 -0.030797 0.050458 0.013446 -0.005889 8C 1dx2y2 -0.015324 0.038518 0.009841 0.004363 0.014766 0.012186 8C 1dxy -0.013373 0.006802 0.001737 0.000980 -0.020461 -0.005114 8C 2dz2 0.090407 -0.131736 -0.104017 -0.049208 -0.032896 0.013333 8C 2dxz -0.025990 0.213992 -0.137776 0.165628 0.040200 -0.028720 8C 2dyz 0.208599 -0.571151 0.143907 -0.363943 -0.135566 -0.096624 8C 2dx2y2 0.167547 -0.440687 0.121942 -0.248824 -0.019609 -0.104618 8C 2dxy 0.073667 -0.374578 0.137646 -0.279644 -0.144760 0.054919 8C 1f0 0.046597 0.003617 -0.064954 0.043005 -0.001451 -0.010349 8C 1f+1 0.018290 0.014668 -0.022224 0.010158 -0.031613 0.012374 8C 1f-1 -0.026687 -0.012055 0.034491 -0.059869 -0.003096 0.010644 8C 1f+2 0.032867 0.036094 -0.053344 0.052328 -0.014808 -0.000230 8C 1f-2 0.020226 0.022257 -0.028489 0.037903 0.019353 -0.006313 8C 1f+3 0.001259 -0.034423 -0.027918 0.005932 0.005010 0.000014 8C 1f-3 -0.016864 -0.025323 0.024409 -0.001859 0.016804 -0.003590 9C 1s 0.010109 -0.012671 0.002400 0.000909 0.000759 -0.001410 9C 2s 0.039539 -0.047651 0.011114 0.008395 0.002981 -0.005429 9C 3s -0.721591 0.588474 -0.163151 -0.114805 -0.206189 0.104902 9C 4s 2.837161 -1.599610 0.408387 0.080724 1.251359 -0.414168 9C 5s 1.125443 -2.162357 0.043769 -0.123865 0.257683 0.012527 9C 1pz 0.148575 -0.114383 -0.029255 0.087390 0.040999 0.013252 9C 1px 0.025030 -0.127953 0.099500 0.169952 -0.036102 0.006457 9C 1py -0.013932 -0.207569 0.172639 -0.036599 -0.079640 -0.084853 9C 2pz -1.588152 0.631439 0.045561 -0.176724 -0.745062 0.136769 9C 2px -0.172831 0.544463 -0.411059 -0.608579 -0.062298 0.040836 9C 2py -0.650554 0.900258 -0.577234 0.145401 -0.204434 0.279930 9C 3pz -0.512415 0.678973 -0.167094 0.028159 -0.114746 0.121830 9C 3px -0.048601 0.273596 -0.066343 -0.106588 0.101091 0.000795 9C 3py -0.326085 0.397906 0.097653 -0.083315 -0.134426 -0.072464 9C 1dz2 -0.049825 -0.002786 -0.004805 -0.004532 -0.030291 0.015020 9C 1dxz 0.004191 -0.002739 0.011793 -0.009652 0.012431 0.004623 9C 1dyz -0.050321 -0.003262 0.007815 0.003015 -0.034148 0.000745 9C 1dx2y2 -0.007977 -0.031828 0.014635 0.004364 -0.012974 0.005345 9C 1dxy 0.029125 0.020481 -0.017517 0.007851 0.027162 -0.004150 9C 2dz2 0.549771 -0.156842 -0.030523 0.043756 0.240855 -0.064185 9C 2dxz 0.174422 -0.139934 0.048770 0.027520 0.167186 -0.046814 9C 2dyz 0.686597 -0.440957 0.189629 0.076057 0.308566 -0.124448 9C 2dx2y2 -0.209414 0.083032 -0.001733 0.096320 -0.069776 0.031450 9C 2dxy 0.117411 -0.113977 0.051125 0.094365 0.082520 -0.022140 9C 1f0 0.041668 0.047875 -0.028500 -0.008218 0.046493 -0.005483 9C 1f+1 -0.027644 -0.003224 0.003087 -0.039091 -0.019098 0.003543 9C 1f-1 -0.038956 -0.057468 0.036012 0.039249 -0.050260 -0.001997 9C 1f+2 0.011576 -0.002847 0.016316 0.006725 0.009900 -0.003798 9C 1f-2 -0.024356 -0.006578 0.000521 0.033470 -0.041687 -0.000537 9C 1f+3 0.042751 0.040824 -0.034390 0.003930 0.027162 -0.000143 9C 1f-3 0.010722 0.030896 -0.029375 -0.051350 0.021979 -0.008141 10H 1s -0.052895 -0.040290 -0.039867 -0.047625 0.034693 -0.002684 10H 2s 0.139132 0.215343 0.262835 0.336667 -0.132065 -0.007069 10H 3s -0.044704 -0.023311 -0.106038 -0.055005 0.091797 -0.050725 10H 1pz 0.045145 -0.053869 0.023645 0.130279 0.010471 -0.041064 10H 1px 0.030220 -0.024809 0.002057 0.045702 -0.037932 -0.024152 10H 1py 0.136317 0.032636 0.101573 0.001259 -0.088507 0.023258 11H 1s -0.027167 0.016835 -0.007150 0.107867 -0.033322 0.014095 11H 2s 0.191243 -0.127175 -0.003573 -0.548210 0.074470 0.016013 11H 3s 0.027975 -0.146615 -0.193853 0.071754 0.051431 -0.092267 11H 1pz 0.162602 -0.133947 -0.038760 -0.147082 -0.067017 0.035803 11H 1px 0.017507 0.077113 0.084201 0.038755 -0.055650 0.005614 11H 1py 0.170761 -0.006209 0.088398 -0.048758 -0.130623 0.032820 12H 1s 0.147021 0.175342 0.114639 0.038072 -0.147557 -0.019744 12H 2s -0.339697 -0.616133 -0.523231 -0.159214 0.373594 -0.063182 12H 3s 0.258269 0.137833 0.194882 -0.105026 -0.207248 0.031452 12H 1pz 0.160606 -0.153949 -0.133869 0.021360 -0.075056 -0.096120 12H 1px -0.013844 0.010276 -0.006088 0.101844 -0.050185 -0.017501 12H 1py 0.064947 -0.104066 -0.070190 -0.064303 -0.013804 -0.030376 13H 1s 0.001101 -0.040886 0.003562 -0.030068 -0.025542 -0.032371 13H 2s 0.059844 0.118198 0.148669 0.061068 0.267154 0.067185 13H 3s -0.075554 -0.113453 -0.011986 -0.008450 -0.131463 0.058551 13H 1pz -0.067656 0.077816 -0.055616 0.013229 0.068144 -0.009799 13H 1px -0.034170 0.088140 -0.000086 -0.027920 0.052116 0.009083 13H 1py 0.024486 -0.078324 -0.183615 0.081752 -0.084532 -0.059647 14H 1s 0.019323 0.083420 -0.032592 0.005865 0.025455 0.041950 14H 2s -0.045302 -0.160774 0.156676 -0.071595 -0.271542 -0.021314 14H 3s -0.040743 0.091009 -0.201526 0.077629 0.082747 0.063717 14H 1pz -0.072368 0.070577 -0.043950 -0.033114 -0.103536 0.007603 14H 1px 0.027373 0.036948 0.063900 -0.029052 0.002574 -0.003534 14H 1py 0.013005 -0.186340 -0.173211 0.144714 0.142512 -0.049895 15H 1s 0.133407 0.059957 0.186377 -0.169323 0.000531 -0.027941 15H 2s -0.435805 -0.086721 -0.805020 0.435761 -0.070236 0.025193 15H 3s 0.080650 0.117318 0.292833 -0.227021 -0.174464 0.069073 15H 1pz -0.060982 0.151080 -0.040077 -0.120799 -0.029417 -0.032493 15H 1px -0.017580 0.071466 -0.043657 -0.010391 0.114419 -0.014462 15H 1py 0.099942 -0.146409 0.093282 0.080554 0.071417 0.046545 16H 1s -0.049138 -0.054105 0.025572 0.017709 0.092491 0.014457 16H 2s 0.112235 0.115942 -0.049666 -0.110873 -0.200501 -0.070797 16H 3s 0.017623 0.047097 0.018599 -0.026799 0.104604 0.005092 16H 1pz -0.003683 0.027612 -0.032981 0.000481 -0.121813 0.007055 16H 1px 0.008091 0.019648 -0.130254 -0.117385 -0.014256 0.015700 16H 1py 0.105339 0.063020 -0.029779 -0.046370 -0.042884 -0.026386 17H 1s -0.048846 -0.038233 0.040136 0.027566 0.079407 0.014109 17H 2s 0.054321 0.087218 -0.139500 -0.054068 -0.204214 0.018259 17H 3s 0.027855 0.017372 -0.003858 -0.072660 -0.025323 0.012453 17H 1pz -0.095581 -0.062973 -0.063615 0.047677 0.033389 0.036193 17H 1px 0.004681 0.012090 0.033315 -0.092337 -0.042024 0.060029 17H 1py 0.039202 0.031723 -0.069059 -0.069950 -0.136673 0.050738 18H 1s -0.044288 -0.039611 -0.041407 -0.028611 -0.080100 0.016360 18H 2s 0.040965 0.090748 0.145574 0.057933 0.209182 0.014296 18H 3s 0.031203 0.016568 0.005528 0.068749 0.024739 0.013944 18H 1pz 0.087032 0.064541 -0.060822 0.053618 0.033464 -0.037237 18H 1px -0.002896 -0.011935 0.032823 -0.092641 -0.040915 -0.060382 18H 1py -0.035759 -0.032657 -0.071117 -0.067536 -0.141423 -0.048269 19H 1s -0.046502 -0.054443 -0.028833 -0.016700 -0.093475 0.016467 19H 2s 0.105516 0.114482 0.062319 0.108214 0.201998 -0.073203 19H 3s 0.003204 0.048876 -0.023558 0.030279 -0.107652 0.006664 19H 1pz -0.000443 -0.026814 -0.034057 0.004580 -0.123054 -0.005823 19H 1px 0.001568 -0.019021 -0.131362 -0.113423 -0.017363 -0.018034 19H 1py -0.093774 -0.063734 -0.033458 -0.049309 -0.043855 0.027214 20H 1s 0.136510 0.060049 -0.184057 0.171224 -0.000669 -0.027920 20H 2s -0.450272 -0.083339 0.796415 -0.439658 0.071830 0.025273 20H 3s 0.081212 0.124256 -0.288116 0.232920 0.176395 0.062464 20H 1pz 0.063699 -0.154123 -0.037830 -0.120132 -0.028300 0.031723 20H 1px 0.018253 -0.070751 -0.038388 -0.008698 0.114679 0.011495 20H 1py -0.104261 0.150521 0.091465 0.080360 0.070916 -0.046895 21H 1s 0.013400 0.083697 0.025327 -0.006373 -0.024639 0.041808 21H 2s -0.033091 -0.158272 -0.133029 0.074511 0.272335 -0.027449 21H 3s -0.052865 0.096284 0.194717 -0.077808 -0.077967 0.064643 21H 1pz 0.074389 -0.072745 -0.044641 -0.033131 -0.103622 -0.006085 21H 1px -0.026590 -0.037209 0.064410 -0.029509 0.003677 0.004210 21H 1py -0.018961 0.190804 -0.171539 0.146061 0.142549 0.044605 22H 1s 0.002802 -0.039218 0.000605 0.028537 0.023839 -0.031780 22H 2s 0.059072 0.111587 -0.161227 -0.059448 -0.264268 0.068517 22H 3s -0.073318 -0.111640 0.018806 0.007518 0.130572 0.056834 22H 1pz 0.070305 -0.078485 -0.051411 0.015137 0.068576 0.008034 22H 1px 0.036087 -0.089553 0.003676 -0.027177 0.051954 -0.010161 22H 1py -0.020994 0.079368 -0.182484 0.080879 -0.082746 0.060260 23H 1s 0.151871 0.173873 -0.111303 -0.038229 0.146663 -0.023739 23H 2s -0.354441 -0.611068 0.521858 0.166656 -0.374477 -0.052040 23H 3s 0.275317 0.130437 -0.189023 0.112340 0.211043 0.030530 23H 1pz -0.182784 0.155337 -0.139871 0.017262 -0.073516 0.097213 23H 1px 0.007538 -0.008809 -0.008169 0.103918 -0.047833 0.018991 23H 1py -0.069813 0.103758 -0.072245 -0.065038 -0.014240 0.031193 24H 1s -0.009053 0.014802 0.010337 -0.109126 0.032514 0.012794 24H 2s 0.136597 -0.122794 -0.003790 0.552404 -0.065524 0.022590 24H 3s 0.071611 -0.150769 0.202433 -0.067572 -0.055382 -0.088316 24H 1pz -0.176035 0.135193 -0.041556 -0.148758 -0.070874 -0.034990 24H 1px -0.017895 -0.073940 0.081851 0.039496 -0.054138 -0.003270 24H 1py -0.189617 0.008586 0.085535 -0.049041 -0.134159 -0.029996 25H 1s -0.048686 -0.038264 0.036961 0.046875 -0.032098 -0.002010 25H 2s 0.133791 0.207274 -0.254692 -0.338177 0.126231 -0.011105 25H 3s -0.058991 -0.018781 0.096514 0.057259 -0.090699 -0.045285 25H 1pz -0.067462 0.057523 0.021493 0.129299 0.011741 0.040942 25H 1px -0.042658 0.027714 -0.001058 0.045455 -0.036429 0.025222 25H 1py -0.147641 -0.030409 0.100671 0.002598 -0.089055 -0.021458 26O 1s -0.001898 0.004045 0.000538 -0.000950 -0.003020 0.000140 26O 2s -0.006726 0.010826 0.001774 -0.005077 -0.002788 0.000839 26O 3s 0.043653 -0.013857 -0.008776 0.076218 -0.129886 -0.011465 26O 4s -0.004975 -0.132883 0.032014 -0.307080 0.771557 0.059559 26O 5s -1.550440 0.214545 -0.022208 -0.780053 2.882299 0.093787 26O 1pz -0.010173 0.028277 0.065053 0.030202 0.039803 0.023817 26O 1px 0.009358 -0.003793 0.023864 -0.019023 -0.062916 0.021709 26O 1py -0.017912 0.012945 -0.031008 0.062371 -0.009773 -0.020644 26O 2pz 0.035312 0.020630 0.016346 0.086465 -0.088324 -0.020575 26O 2px 0.082486 0.073360 -0.068041 0.178754 -0.636226 -0.041140 26O 2py 0.052280 0.044935 0.038755 0.083718 -0.315270 0.013415 26O 3pz -0.030789 0.118150 0.070054 0.229447 -0.290129 0.122699 26O 3px 0.678544 0.160133 0.158850 0.693032 -1.557155 -0.004497 26O 3py 0.513835 0.410481 0.266206 0.495486 -0.644698 -0.322658 26O 1dz2 -0.003898 0.002049 0.003012 -0.000239 0.003272 0.003300 26O 1dxz 0.003923 0.000572 0.005665 0.004264 0.000429 -0.002531 26O 1dyz 0.000961 0.001860 0.000648 0.001663 0.001682 -0.001602 26O 1dx2y2 -0.000651 -0.001261 -0.001857 -0.002946 -0.005408 -0.002204 26O 1dxy 0.002631 -0.001713 -0.000317 -0.000223 -0.003109 0.003522 26O 2dz2 -0.058221 -0.003136 0.009571 -0.002332 -0.281216 0.068291 26O 2dxz -0.049532 0.132540 0.070027 0.053030 0.108297 -0.164016 26O 2dyz -0.093868 -0.014225 -0.077330 -0.094470 0.087733 -0.107975 26O 2dx2y2 0.033837 -0.014047 -0.068026 -0.004597 0.137015 -0.239441 26O 2dxy -0.149929 -0.132903 -0.029280 -0.227956 0.294014 0.309440 26O 1f0 0.003173 -0.002589 -0.001159 -0.002113 0.000149 0.000744 26O 1f+1 -0.002465 -0.004113 -0.003224 -0.004973 0.014382 0.000750 26O 1f-1 -0.001760 -0.002638 0.000859 0.000857 0.006279 -0.001499 26O 1f+2 0.000569 0.002924 -0.001993 0.002999 0.000937 0.000039 26O 1f-2 -0.001780 0.002544 -0.001234 0.001581 -0.005782 -0.000102 26O 1f+3 -0.002799 -0.001384 0.002991 -0.002776 0.008698 0.002881 26O 1f-3 -0.007430 -0.008128 0.000598 -0.008103 0.024458 -0.000699 27O 1s 0.002287 -0.000948 -0.000557 -0.001526 -0.002772 -0.003964 27O 2s 0.001546 -0.005843 -0.004914 -0.001277 -0.006726 -0.008259 27O 3s 0.117862 0.086138 0.099897 -0.072441 0.003230 -0.048397 27O 4s -0.709714 -0.295052 -0.467238 0.445210 0.119278 0.521827 27O 5s -1.298138 -2.175497 -1.157705 1.503526 0.620731 0.965689 27O 1pz 0.012475 -0.027128 0.042415 0.071547 -0.003346 0.037356 27O 1px 0.005264 0.006178 0.013368 -0.016501 -0.002399 -0.022452 27O 1py -0.004244 0.012113 0.027481 -0.002746 -0.078133 0.007369 27O 2pz -0.021819 0.019371 -0.021257 -0.003458 0.067284 0.013414 27O 2px 0.587464 0.343487 0.341388 -0.388160 -0.165407 -0.412153 27O 2py -0.147605 -0.111665 -0.152539 0.103596 0.004475 0.082155 27O 3pz -0.096364 -0.088553 0.010124 -0.170814 0.090058 0.256565 27O 3px 1.134730 1.195011 0.831105 -0.876783 -0.018568 -0.585414 27O 3py -0.298173 -0.049398 -0.222403 0.138469 -0.048685 0.186052 27O 1dz2 -0.000526 -0.002629 0.001989 0.002112 0.000280 0.001954 27O 1dxz -0.002377 0.001929 0.002268 0.002272 0.004652 -0.002423 27O 1dyz 0.001985 0.003514 0.000796 -0.002732 0.001456 -0.000447 27O 1dx2y2 0.004596 0.005270 0.003262 -0.003672 -0.005888 -0.006235 27O 1dxy -0.000767 -0.005221 -0.001743 -0.000494 -0.006175 -0.003315 27O 2dz2 0.145546 0.079270 0.157040 -0.135728 0.010915 0.004579 27O 2dxz 0.006610 -0.047025 -0.030922 -0.056034 0.109010 -0.360763 27O 2dyz 0.115173 0.110179 0.083839 0.037213 0.049012 0.097225 27O 2dx2y2 -0.227781 -0.117797 -0.105379 0.113656 -0.032908 0.098545 27O 2dxy 0.016313 0.101019 0.028211 -0.123785 -0.057114 -0.218377 27O 1f0 0.001094 0.001952 0.001425 -0.003373 -0.002906 0.000456 27O 1f+1 -0.018134 -0.011539 -0.012668 0.010349 0.006373 0.012634 27O 1f-1 0.004438 0.002228 0.002506 0.000990 -0.005141 -0.004102 27O 1f+2 -0.003928 -0.005216 -0.005068 0.003930 -0.000367 0.002691 27O 1f-2 -0.003819 -0.001714 0.000231 0.003267 0.000120 0.002964 27O 1f+3 -0.015234 -0.010691 -0.007486 0.011898 0.002124 0.009161 27O 1f-3 0.014005 0.002811 0.006404 -0.007311 -0.003236 -0.004083 28O 1s 0.002522 0.004494 0.003249 0.002220 0.001195 -0.000010 28O 2s 0.008147 0.008472 0.005064 0.000601 0.002357 -0.000695 28O 3s -0.048603 0.084047 0.081324 0.132430 0.013942 0.020776 28O 4s 0.033905 -0.700293 -0.563594 -0.774573 -0.088176 -0.093556 28O 5s -0.354122 -0.940733 -1.802420 -2.050453 -0.668705 -0.362104 28O 1pz -0.025834 -0.003490 0.016249 -0.001252 -0.001659 0.020719 28O 1px -0.019066 -0.025216 -0.023573 -0.012692 -0.007940 -0.003479 28O 1py -0.006937 0.014324 -0.032428 0.017228 -0.037627 -0.023032 28O 2pz 0.044052 0.305754 0.302183 0.369165 0.036493 0.073303 28O 2px 0.028938 -0.413527 -0.389268 -0.478827 -0.137513 -0.076321 28O 2py 0.031250 0.015590 0.017332 0.046080 -0.004544 -0.002666 28O 3pz -0.361525 1.062797 0.636278 1.110990 0.026257 0.146906 28O 3px -0.157149 -0.584470 -0.748999 -0.920064 -0.203243 -0.137332 28O 3py -0.553758 0.157287 0.287414 0.279775 0.182958 0.010437 28O 1dz2 -0.000860 -0.003211 -0.002278 -0.001242 0.000750 -0.005518 28O 1dxz -0.001345 -0.002515 -0.003577 -0.003126 -0.001127 -0.001280 28O 1dyz -0.001520 -0.001522 -0.000277 -0.001806 0.000131 0.002888 28O 1dx2y2 0.000117 0.003294 0.003621 0.003380 0.003010 -0.000487 28O 1dxy -0.004924 -0.000479 0.000052 0.001659 0.004003 -0.001984 28O 2dz2 -0.059153 -0.106216 -0.224662 -0.087692 0.051137 -0.161170 28O 2dxz -0.010683 0.170106 0.134507 0.173239 0.079920 0.114558 28O 2dyz 0.130934 0.014529 -0.023112 -0.223882 -0.027164 0.131045 28O 2dx2y2 -0.049534 -0.165033 -0.120543 -0.042235 0.039649 0.020999 28O 2dxy -0.207160 -0.088275 -0.015465 0.130360 0.195787 -0.207558 28O 1f0 0.000474 -0.008568 -0.006223 -0.009160 -0.002432 0.005284 28O 1f+1 0.007975 -0.013342 -0.012058 -0.014857 -0.001462 0.000222 28O 1f-1 0.001219 0.002511 0.001122 0.002516 -0.000128 0.000639 28O 1f+2 -0.004130 0.019665 0.015770 0.017902 0.001941 0.007255 28O 1f-2 0.003481 -0.006042 -0.004424 -0.007431 -0.002246 -0.001511 28O 1f+3 -0.001610 0.007057 0.007530 0.008332 0.002432 0.003439 28O 1f-3 0.004290 -0.001419 -0.000913 -0.002282 -0.000694 -0.004051 29O 1s -0.000056 0.000242 0.001140 0.000521 0.001999 0.000190 29O 2s -0.002804 -0.001738 0.004753 0.002471 0.009792 0.001154 29O 3s 0.071242 0.061722 -0.051862 -0.030429 -0.134264 -0.019115 29O 4s -0.349866 -0.324101 0.182749 0.127532 0.529649 0.079064 29O 5s 0.539999 0.511209 -0.214609 -0.166043 -0.703590 -0.098133 29O 1pz 0.012820 0.000610 -0.018110 -0.021323 -0.005559 0.000704 29O 1px -0.025598 -0.032367 0.023481 0.046195 0.059295 -0.003954 29O 1py -0.041877 -0.035871 0.042642 0.019934 0.085865 -0.004691 29O 2pz -0.007580 0.015251 0.007271 0.017943 -0.065392 0.007262 29O 2px -0.012001 0.009393 0.006332 -0.025954 0.009759 0.016315 29O 2py 0.084815 0.069404 -0.061375 -0.015176 -0.161288 -0.021160 29O 3pz 0.092658 0.110588 -0.021762 -0.187411 -0.005019 -0.071915 29O 3px -0.244598 -0.282008 0.143040 0.228807 0.304314 -0.017381 29O 3py -0.094734 0.020524 0.056191 -0.066470 0.142710 0.013646 29O 1dz2 0.000804 -0.000408 -0.001385 0.001221 -0.001422 0.000178 29O 1dxz -0.000190 -0.000278 0.000649 0.001567 -0.000785 0.000695 29O 1dyz -0.001518 -0.001118 0.000091 -0.000532 -0.001610 0.001217 29O 1dx2y2 0.000125 -0.000280 0.000116 -0.001544 0.001861 0.001839 29O 1dxy -0.000443 0.000843 -0.000160 -0.000251 0.000648 -0.000132 29O 2dz2 -0.034198 -0.014321 0.051656 0.008571 -0.003716 0.015366 29O 2dxz 0.022241 -0.013750 -0.025455 0.004535 0.077197 -0.029705 29O 2dyz 0.003324 0.002271 -0.019345 0.043715 0.064716 -0.012210 29O 2dx2y2 0.000488 0.018543 0.021313 0.062661 0.071203 -0.041846 29O 2dxy 0.030912 0.024102 -0.054854 -0.040672 -0.044038 -0.005208 29O 1f0 0.005734 0.005717 -0.003576 -0.001529 -0.011679 -0.001968 29O 1f+1 -0.002183 -0.001881 -0.000165 0.000166 0.003040 0.001120 29O 1f-1 0.007354 0.007746 -0.005192 -0.003567 -0.014429 -0.001331 29O 1f+2 -0.002381 -0.001707 0.001569 0.000606 0.004615 0.001236 29O 1f-2 0.005781 0.003529 -0.001960 -0.003009 -0.006088 -0.002262 29O 1f+3 -0.002758 -0.001416 0.001328 0.001048 0.002035 -0.000368 29O 1f-3 -0.002499 -0.002214 0.001739 0.001280 0.002469 0.001328 30O 1s 0.002416 0.002331 0.001792 0.000056 0.004108 0.001842 30O 2s 0.006804 0.008619 0.001383 0.000806 0.007573 0.003189 30O 3s -0.011255 -0.074784 0.086335 -0.021515 0.064436 0.038552 30O 4s -0.065051 0.218175 -0.526958 0.118633 -0.517139 -0.381784 30O 5s 0.234732 -0.248678 -1.415413 0.326378 -1.578585 -0.293045 30O 1pz -0.001824 -0.023475 0.006907 0.054594 -0.012243 0.011472 30O 1px 0.001191 -0.019975 -0.015781 0.019765 -0.015651 -0.006943 30O 1py -0.005575 0.018419 0.018725 0.033980 0.015910 0.037734 30O 2pz 0.007645 -0.039394 0.220895 -0.103362 0.179017 0.119707 30O 2px -0.026651 0.131454 -0.267169 0.026051 -0.354117 -0.184569 30O 2py 0.015332 0.044731 -0.224056 0.084007 -0.196449 -0.129858 30O 3pz 0.200005 -0.392700 0.636166 -0.300181 0.718440 0.157928 30O 3px 0.132739 -0.188078 -0.586179 0.220989 -0.506630 -0.146660 30O 3py -0.242899 0.333523 -0.787472 -0.099580 -0.559857 -0.021435 30O 1dz2 -0.002999 0.001280 -0.000621 0.001260 -0.002476 -0.003601 30O 1dxz 0.001817 -0.001113 -0.000721 0.000546 -0.002219 -0.000712 30O 1dyz 0.001985 0.001126 0.000588 -0.002164 -0.000230 0.002377 30O 1dx2y2 0.000185 -0.003346 0.002049 0.002699 0.007895 0.001594 30O 1dxy -0.003813 0.000602 0.002941 -0.003407 0.000818 0.004922 30O 2dz2 -0.053858 0.087560 -0.138431 -0.012483 -0.001452 -0.212683 30O 2dxz 0.004283 -0.124854 0.133542 -0.057847 0.086797 0.246996 30O 2dyz 0.039518 -0.064938 0.220129 -0.074805 0.130500 0.000081 30O 2dx2y2 -0.068149 -0.078157 -0.032325 0.113886 0.204623 -0.024371 30O 2dxy 0.050289 0.008004 -0.049324 -0.015786 -0.066652 0.079188 30O 1f0 0.000466 0.005266 -0.010071 0.004319 -0.009479 -0.004237 30O 1f+1 0.001325 0.003450 -0.002013 -0.000473 -0.000771 0.003373 30O 1f-1 -0.002848 -0.000093 -0.003396 0.004598 -0.001562 -0.004260 30O 1f+2 0.003260 0.001101 0.004833 -0.002297 0.003892 -0.002196 30O 1f-2 0.006645 -0.007902 0.012275 -0.001397 0.015903 0.002112 30O 1f+3 -0.006264 0.005919 -0.001586 -0.002063 -0.006304 0.001045 30O 1f-3 0.005132 -0.002671 0.008335 -0.002757 0.007218 0.006116 31O 1s 0.002532 0.002279 -0.001872 -0.000058 -0.003999 0.001994 31O 2s 0.006943 0.008529 -0.001558 -0.000790 -0.007422 0.003497 31O 3s -0.007226 -0.076007 -0.087106 0.021146 -0.061117 0.040109 31O 4s -0.089124 0.226515 0.537790 -0.117977 0.490017 -0.396117 31O 5s 0.146509 -0.223804 1.435787 -0.315650 1.543563 -0.343973 31O 1pz 0.001145 0.023548 0.007642 0.054547 -0.012545 -0.010823 31O 1px -0.000266 0.019668 -0.017524 0.020430 -0.014837 0.007825 31O 1py 0.005791 -0.019612 0.019533 0.034225 0.014847 -0.037250 31O 2pz -0.017395 0.041559 0.225446 -0.103076 0.169700 -0.125534 31O 2px 0.042215 -0.135988 -0.274067 0.025172 -0.339711 0.195003 31O 2py -0.007306 -0.045808 -0.228706 0.083066 -0.185542 0.135396 31O 3pz -0.254264 0.411654 0.623422 -0.292053 0.706388 -0.178442 31O 3px -0.111785 0.185435 -0.597723 0.215065 -0.488853 0.162537 31O 3py 0.282587 -0.360718 -0.788278 -0.111883 -0.557222 0.033553 31O 1dz2 -0.003311 0.001357 0.000632 -0.001325 0.002429 -0.003713 31O 1dxz 0.001662 -0.001110 0.000904 -0.000532 0.002109 -0.000791 31O 1dyz 0.002049 0.001122 -0.000642 0.002244 0.000310 0.002341 31O 1dx2y2 0.000159 -0.003311 -0.002197 -0.002644 -0.007669 0.001771 31O 1dxy -0.003706 0.000638 -0.003021 0.003334 -0.000549 0.004941 31O 2dz2 -0.069498 0.087579 0.131673 0.010392 -0.003340 -0.211933 31O 2dxz 0.015709 -0.125921 -0.133246 0.057847 -0.077197 0.249344 31O 2dyz 0.051726 -0.068737 -0.217450 0.073154 -0.129641 0.004247 31O 2dx2y2 -0.065396 -0.081784 0.034204 -0.116955 -0.206216 -0.019287 31O 2dxy 0.048148 0.011762 0.055056 0.014930 0.065370 0.076206 31O 1f0 -0.000021 -0.005316 -0.010130 0.004219 -0.009005 0.004528 31O 1f+1 -0.001258 -0.003517 -0.001942 -0.000490 -0.000855 -0.003328 31O 1f-1 0.002974 -0.000002 -0.003473 0.004655 -0.001467 0.004361 31O 1f+2 -0.003446 -0.001044 0.004825 -0.002308 0.003974 0.002076 31O 1f-2 -0.007272 0.008108 0.012501 -0.001302 0.015545 -0.002605 31O 1f+3 0.006519 -0.006089 -0.001483 -0.002055 -0.006308 -0.000882 31O 1f-3 -0.005642 0.002936 0.008467 -0.002648 0.006972 -0.006345 32O 1s 0.000095 0.000184 -0.001250 -0.000580 -0.002021 0.000235 32O 2s -0.002217 -0.001961 -0.005123 -0.002630 -0.009878 0.001399 32O 3s 0.065729 0.063772 0.054559 0.030732 0.135242 -0.022832 32O 4s -0.330723 -0.330290 -0.188289 -0.124970 -0.531906 0.094363 32O 5s 0.513614 0.518900 0.212275 0.158209 0.700033 -0.120326 32O 1pz -0.011438 -0.001642 -0.018525 -0.022884 -0.006329 -0.000874 32O 1px 0.023102 0.032242 0.024066 0.045368 0.059387 0.002839 32O 1py 0.038633 0.036936 0.044131 0.019599 0.087081 0.002561 32O 2pz 0.004554 -0.012663 0.006306 0.021547 -0.062637 -0.007673 32O 2px 0.011099 -0.007607 0.007055 -0.024377 0.011932 -0.017796 32O 2py -0.079685 -0.071624 -0.064080 -0.014850 -0.164216 0.025546 32O 3pz -0.080316 -0.110016 -0.021323 -0.188140 -0.000187 0.072674 32O 3px 0.221147 0.284874 0.146907 0.225835 0.304202 0.012019 32O 3py 0.084792 -0.017905 0.058745 -0.068368 0.145695 -0.017781 32O 1dz2 0.000924 -0.000368 0.001348 -0.001286 0.001343 0.000062 32O 1dxz -0.000108 -0.000207 -0.000772 -0.001518 0.000776 0.000581 32O 1dyz -0.001348 -0.001092 -0.000092 0.000447 0.001718 0.001249 32O 1dx2y2 0.000098 -0.000274 -0.000147 0.001562 -0.001865 0.001849 32O 1dxy -0.000306 0.000809 0.000114 0.000219 -0.000718 -0.000073 32O 2dz2 -0.027608 -0.013772 -0.054657 -0.005422 0.003479 0.015450 32O 2dxz 0.013875 -0.014913 0.024359 -0.006916 -0.076516 -0.028142 32O 2dyz -0.001915 0.001998 0.014857 -0.044657 -0.066028 -0.011926 32O 2dx2y2 0.003372 0.017125 -0.025253 -0.062923 -0.072422 -0.041032 32O 2dxy 0.018873 0.024324 0.059535 0.041081 0.041105 -0.006033 32O 1f0 -0.005087 -0.005378 -0.003499 -0.001299 -0.010953 0.002141 32O 1f+1 0.002378 0.002206 0.000035 0.000344 0.003594 -0.001396 32O 1f-1 -0.007271 -0.008051 -0.005693 -0.003488 -0.015033 0.001697 32O 1f+2 0.002702 0.002084 0.001946 0.000752 0.005290 -0.001459 32O 1f-2 -0.005188 -0.003595 -0.001919 -0.003145 -0.006002 0.002471 32O 1f+3 0.002305 0.001337 0.001242 0.001009 0.001872 0.000341 32O 1f-3 0.002264 0.002210 0.001751 0.001351 0.002343 -0.001392 33O 1s 0.002591 0.004443 -0.003234 -0.002258 -0.001303 -0.000051 33O 2s 0.008176 0.008352 -0.004903 -0.000670 -0.002603 -0.000746 33O 3s -0.044547 0.084011 -0.084352 -0.133228 -0.014620 0.019429 33O 4s 0.010929 -0.696415 0.576551 0.779051 0.099960 -0.084905 33O 5s -0.450733 -0.942132 1.820636 2.073788 0.675998 -0.333564 33O 1pz 0.032996 0.002352 0.017239 -0.000433 -0.002341 -0.019764 33O 1px 0.024391 0.024822 -0.022979 -0.012583 -0.008593 0.002834 33O 1py 0.013919 -0.015455 -0.032260 0.016789 -0.037563 0.024265 33O 2pz -0.069124 -0.303205 0.306520 0.371035 0.039352 -0.067536 33O 2px -0.007683 0.410565 -0.396434 -0.483910 -0.143607 0.071989 33O 2py -0.039020 -0.016023 0.018164 0.047194 -0.003568 0.003826 33O 3pz 0.383710 -1.075759 0.665636 1.128451 0.040586 -0.130530 33O 3px 0.205925 0.583500 -0.762969 -0.931535 -0.206597 0.123466 33O 3py 0.567318 -0.166375 0.304098 0.290201 0.180763 -0.011602 33O 1dz2 -0.001277 -0.003115 0.002174 0.001190 -0.000897 -0.005534 33O 1dxz -0.001826 -0.002453 0.003716 0.003134 0.001143 -0.001204 33O 1dyz -0.002046 -0.001452 0.000218 0.001808 -0.000010 0.002882 33O 1dx2y2 0.000618 0.003160 -0.003607 -0.003488 -0.003181 -0.000446 33O 1dxy -0.004844 -0.000564 -0.000006 -0.001636 -0.003981 -0.001879 33O 2dz2 -0.046015 -0.105800 0.227001 0.087243 -0.054849 -0.158665 33O 2dxz -0.000920 0.171723 -0.139664 -0.176264 -0.081847 0.113382 33O 2dyz 0.130635 0.011172 0.026064 0.226131 0.027167 0.134146 33O 2dx2y2 -0.061655 -0.163979 0.120164 0.040802 -0.039240 0.025215 33O 2dxy -0.201579 -0.088567 0.012031 -0.127750 -0.198696 -0.203214 33O 1f0 -0.000204 0.008518 -0.006298 -0.009297 -0.002866 -0.005406 33O 1f+1 -0.007883 0.013247 -0.012201 -0.015019 -0.001639 -0.000478 33O 1f-1 -0.001778 -0.002494 0.001323 0.002471 -0.000048 -0.000596 33O 1f+2 0.003161 -0.019661 0.016133 0.018258 0.001897 -0.006958 33O 1f-2 -0.003158 0.006012 -0.004451 -0.007627 -0.002285 0.001436 33O 1f+3 0.000553 -0.007010 0.007713 0.008461 0.002493 -0.003345 33O 1f-3 -0.004721 0.001625 -0.001130 -0.002414 -0.000579 0.004026 34O 1s 0.002250 -0.000990 0.000622 0.001398 0.002558 -0.004018 34O 2s 0.001491 -0.005909 0.005040 0.000897 0.006324 -0.008352 34O 3s 0.116542 0.085320 -0.098609 0.074161 -0.006862 -0.049202 34O 4s -0.703100 -0.289630 0.452398 -0.444957 -0.085111 0.527939 34O 5s -1.222687 -2.174509 1.159617 -1.518693 -0.568770 0.988532 34O 1pz -0.014357 0.028054 0.042363 0.071465 -0.004534 -0.036788 34O 1px -0.004037 -0.006181 0.014171 -0.016016 -0.001599 0.022450 34O 1py 0.008018 -0.014395 0.026865 -0.002627 -0.077497 -0.004598 34O 2pz 0.020639 -0.019197 -0.020285 -0.002954 0.065738 -0.015475 34O 2px -0.575808 -0.340235 0.331978 -0.390813 -0.139945 0.418739 34O 2py 0.145220 0.110989 -0.151271 0.104930 -0.001232 -0.083150 34O 3pz 0.103133 0.088363 0.019173 -0.170261 0.085607 -0.260775 34O 3px -1.103509 -1.190115 0.831232 -0.884211 0.016940 0.588051 34O 3py 0.284002 0.058315 -0.218405 0.142477 -0.053725 -0.185401 34O 1dz2 -0.000670 -0.002616 -0.001972 -0.002061 -0.000245 0.001958 34O 1dxz -0.002302 0.001892 -0.002348 -0.002288 -0.004666 -0.002269 34O 1dyz 0.002027 0.003567 -0.000690 0.002694 -0.001511 -0.000383 34O 1dx2y2 0.004113 0.005392 -0.003107 0.003765 0.005487 -0.006411 34O 1dxy -0.000822 -0.005118 0.001899 0.000544 0.006104 -0.003475 34O 2dz2 0.143955 0.076964 -0.158168 0.137376 -0.014860 0.005624 34O 2dxz 0.013353 -0.045619 0.034074 0.056439 -0.116692 -0.354842 34O 2dyz 0.119881 0.105106 -0.085821 -0.036504 -0.043890 0.097919 34O 2dx2y2 -0.219923 -0.117098 0.106790 -0.111660 0.039855 0.098784 34O 2dxy 0.013787 0.101508 -0.025720 0.127363 0.052380 -0.219606 34O 1f0 -0.001086 -0.002031 0.001470 -0.003405 -0.002922 -0.000363 34O 1f+1 0.017466 0.011435 -0.012569 0.010505 0.005629 -0.012893 34O 1f-1 -0.004139 -0.002215 0.002525 0.000904 -0.004907 0.004291 34O 1f+2 0.003947 0.005273 -0.005052 0.003894 -0.000637 -0.002700 34O 1f-2 0.003847 0.001715 0.000347 0.003254 -0.000071 -0.002974 34O 1f+3 0.014917 0.010692 -0.007369 0.011959 0.001645 -0.009249 34O 1f-3 -0.014189 -0.002642 0.006260 -0.007462 -0.002945 0.004217 35O 1s -0.002318 0.004137 -0.000652 0.000793 0.003016 -0.000024 35O 2s -0.007812 0.010987 -0.002243 0.004666 0.002705 0.000551 35O 3s 0.046670 -0.012326 0.013664 -0.075831 0.131940 -0.014929 35O 4s 0.001043 -0.145528 -0.045943 0.314777 -0.783167 0.084507 35O 5s -1.573121 0.194349 -0.060688 0.782715 -2.905237 0.190734 35O 1pz 0.017945 -0.028928 0.066056 0.030994 0.040244 -0.024301 35O 1px -0.013905 0.004232 0.022800 -0.018006 -0.063621 -0.019047 35O 1py 0.023112 -0.013748 -0.031439 0.062864 -0.008957 0.021944 35O 2pz -0.044500 -0.020199 0.012567 0.086896 -0.087984 0.024097 35O 2px -0.082569 -0.082301 -0.083702 0.182864 -0.644468 0.061057 35O 2py -0.058648 -0.047851 0.031736 0.085968 -0.320663 -0.003597 35O 3pz 0.032878 -0.117146 0.075671 0.232986 -0.294415 -0.111352 35O 3px -0.682954 -0.173146 0.118991 0.703174 -1.570580 0.061964 35O 3py -0.509063 -0.408103 0.246043 0.491650 -0.632998 0.350913 35O 1dz2 -0.004226 0.002041 -0.003237 0.000224 -0.003204 0.003385 35O 1dxz 0.003988 0.000431 -0.005593 -0.004262 -0.000566 -0.002618 35O 1dyz 0.000384 0.001913 -0.000644 -0.001695 -0.001894 -0.001599 35O 1dx2y2 -0.000522 -0.001248 0.001975 0.003021 0.005485 -0.002297 35O 1dxy 0.002662 -0.001652 0.000353 0.000159 0.003279 0.003432 35O 2dz2 -0.047830 -0.004026 -0.007349 -0.000488 0.284744 0.060020 35O 2dxz -0.041932 0.127999 -0.068455 -0.052823 -0.114797 -0.163267 35O 2dyz -0.081485 -0.017895 0.074752 0.093842 -0.089869 -0.104920 35O 2dx2y2 0.013640 -0.016306 0.066116 0.013755 -0.146829 -0.232586 35O 2dxy -0.145477 -0.131532 0.016635 0.223106 -0.284526 0.321930 35O 1f0 -0.003558 0.002711 -0.001161 -0.002064 0.000226 -0.000790 35O 1f+1 0.002846 0.004221 -0.002920 -0.005086 0.014640 -0.001238 35O 1f-1 0.001525 0.002789 0.001000 0.000839 0.006430 0.001320 35O 1f+2 0.000314 -0.003069 -0.002001 0.003010 0.001091 -0.000022 35O 1f-2 0.001948 -0.002712 -0.001397 0.001676 -0.005923 0.000252 35O 1f+3 0.003458 0.001412 0.003232 -0.002836 0.008680 -0.003186 35O 1f-3 0.007604 0.008380 0.001341 -0.008303 0.024670 -0.000069 372 373 374 375 376 377 1.96149 1.96673 1.97921 1.97994 1.98628 2.00156 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s -0.000207 -0.000271 -0.000104 0.000110 -0.000124 -0.000100 0Rh 2s 0.000706 0.001086 0.000337 -0.000221 0.000502 0.000588 0Rh 3s -0.000786 -0.000928 -0.000408 0.000511 -0.000424 -0.000230 0Rh 4s -0.003377 -0.005283 -0.001630 0.001072 -0.002495 -0.002963 0Rh 5s 0.001486 0.004700 0.000794 0.000278 0.003024 0.005008 0Rh 6s 0.018131 0.018095 0.008391 -0.007558 0.002854 -0.002636 0Rh 7s -0.173123 -0.144689 0.011177 0.028628 -0.030595 0.012977 0Rh 8s 0.091532 -0.059621 0.031063 -0.003488 0.064733 0.042508 0Rh 1pz -0.017406 0.001392 0.016026 -0.006885 0.002986 0.001176 0Rh 1px 0.004269 -0.000190 0.006138 -0.003199 -0.001011 -0.001988 0Rh 1py 0.010402 0.015188 -0.000538 0.003015 0.007541 0.004864 0Rh 2pz 0.059953 -0.005034 -0.056500 0.023726 -0.009907 -0.004232 0Rh 2px -0.015524 0.000330 -0.021486 0.010939 0.003713 0.006855 0Rh 2py -0.035875 -0.053633 0.002067 -0.009914 -0.026175 -0.016853 0Rh 3pz -0.018428 0.007672 0.046872 -0.006807 -0.004452 0.004451 0Rh 3px 0.021795 0.006553 0.014331 -0.001446 -0.005586 -0.002066 0Rh 3py 0.011993 0.046812 -0.005467 -0.006730 0.011282 0.006652 0Rh 4pz -0.306429 -0.004931 0.154230 -0.127452 0.077484 0.013259 0Rh 4px 0.013540 -0.026647 0.074792 -0.064819 -0.003178 -0.034965 0Rh 4py 0.179091 0.134736 0.012423 0.088333 0.126428 0.083307 0Rh 5pz 0.507360 0.033380 -0.170184 0.224956 -0.119607 -0.033588 0Rh 5px -0.034697 0.041341 -0.104985 0.111302 0.007523 0.054530 0Rh 5py -0.292270 -0.131489 -0.041713 -0.142435 -0.224725 -0.144197 0Rh 6pz -1.119747 -0.300380 -0.619440 -0.501740 0.273934 0.176463 0Rh 6px 0.421814 -0.091449 -0.122379 -0.266908 0.090415 -0.029683 0Rh 6py 0.590404 -0.733282 0.404347 0.336510 0.496807 0.246487 0Rh 1dz2 0.007327 -0.004684 -0.010919 -0.002030 -0.004369 0.009260 0Rh 1dxz 0.004767 0.007227 0.016878 0.008149 -0.001300 0.005707 0Rh 1dyz -0.003946 -0.006322 0.003798 0.002019 0.005408 -0.000591 0Rh 1dx2y2 0.016117 -0.009681 0.007979 0.005161 -0.001403 0.006623 0Rh 1dxy -0.001980 0.019926 -0.002984 0.000574 -0.004492 -0.001907 0Rh 2dz2 -0.000923 0.001053 0.003218 -0.002095 -0.000784 -0.005853 0Rh 2dxz 0.000930 -0.001512 -0.003284 -0.000487 0.000211 -0.000375 0Rh 2dyz 0.003955 0.001258 -0.001076 -0.004470 -0.005289 -0.009016 0Rh 2dx2y2 -0.002641 0.001206 -0.001331 -0.000807 -0.000385 -0.002379 0Rh 2dxy -0.000176 -0.004356 0.000993 -0.001945 -0.001881 -0.003995 0Rh 3dz2 -0.014739 0.007378 0.013811 0.014541 0.014715 0.002169 0Rh 3dxz -0.016449 -0.011798 -0.028742 -0.018721 0.002423 -0.012993 0Rh 3dyz -0.007394 0.010593 -0.005069 0.014783 0.009714 0.041862 0Rh 3dx2y2 -0.029261 0.019297 -0.014563 -0.009632 0.005376 -0.006440 0Rh 3dxy 0.005922 -0.031848 0.003336 0.007319 0.019946 0.022760 0Rh 4dz2 -0.014452 0.015180 0.047551 -0.032363 -0.011225 -0.088189 0Rh 4dxz 0.017383 -0.022391 -0.049711 -0.007401 0.002779 -0.007863 0Rh 4dyz 0.057437 0.020356 -0.015050 -0.068752 -0.080722 -0.138762 0Rh 4dx2y2 -0.045652 0.020649 -0.020463 -0.012678 -0.005908 -0.037075 0Rh 4dxy -0.005258 -0.064931 0.013812 -0.031519 -0.029439 -0.061263 0Rh 5dz2 0.087043 -0.051895 -0.161503 0.139318 0.038966 0.330169 0Rh 5dxz -0.108311 0.055462 0.146954 0.006995 0.001785 0.053158 0Rh 5dyz -0.167871 -0.090501 0.039372 0.275705 0.308210 0.549816 0Rh 5dx2y2 0.187401 -0.065183 0.067081 0.047973 0.016593 0.146972 0Rh 5dxy 0.062210 0.200418 -0.035481 0.145260 0.133292 0.245134 0Rh 1f0 0.099512 0.116885 -0.113163 0.032005 0.087365 -0.133915 0Rh 1f+1 0.041856 -0.009720 -0.048300 0.099378 0.082471 0.000244 0Rh 1f-1 0.010649 0.219185 0.156453 -0.094439 0.024092 0.003838 0Rh 1f+2 0.097678 0.044557 -0.219579 -0.008181 0.004415 -0.000793 0Rh 1f-2 -0.021040 0.133259 0.000142 0.066757 0.082142 0.173349 0Rh 1f+3 -0.114258 -0.079411 0.091596 -0.060417 0.055246 -0.057806 0Rh 1f-3 -0.015794 -0.077239 -0.006307 0.034615 -0.132908 -0.142258 1Rh 1s 0.000200 -0.000252 -0.000058 -0.000115 0.000102 0.000109 1Rh 2s -0.000662 0.000998 0.000155 0.000222 -0.000380 -0.000621 1Rh 3s 0.000772 -0.000869 -0.000245 -0.000542 0.000365 0.000263 1Rh 4s 0.003153 -0.004848 -0.000731 -0.001073 0.001894 0.003124 1Rh 5s -0.001090 0.004154 -0.000202 -0.000501 -0.002167 -0.005144 1Rh 6s -0.018400 0.017521 0.006822 0.008706 -0.002438 0.002106 1Rh 7s 0.174751 -0.141745 0.014861 -0.026555 0.024668 -0.013755 1Rh 8s -0.096492 -0.058216 0.033031 0.010913 -0.064009 -0.037689 1Rh 1pz -0.017814 -0.001467 -0.014323 -0.009654 0.002840 0.000850 1Rh 1px 0.004162 0.000187 -0.005805 -0.004286 -0.000970 -0.001883 1Rh 1py 0.010001 -0.015363 -0.000374 0.003195 0.007575 0.004966 1Rh 2pz 0.061384 0.005294 0.050597 0.033483 -0.009392 -0.003099 1Rh 2px -0.015151 -0.000320 0.020371 0.014753 0.003574 0.006487 1Rh 2py -0.034472 0.054236 0.000996 -0.010593 -0.026295 -0.017212 1Rh 3pz -0.019413 -0.007774 -0.044441 -0.014810 -0.004843 0.003883 1Rh 3px 0.021587 -0.006528 -0.014692 -0.004124 -0.005641 -0.001841 1Rh 3py 0.011014 -0.046949 0.006187 -0.005216 0.011340 0.006922 1Rh 4pz -0.311222 0.003679 -0.125914 -0.154514 0.075804 0.008256 1Rh 4px 0.012073 0.026470 -0.066217 -0.077542 -0.001973 -0.033389 1Rh 4py 0.174419 -0.138006 -0.034428 0.085704 0.126965 0.084465 1Rh 5pz 0.513718 -0.031318 0.121862 0.255346 -0.117041 -0.025175 1Rh 5px -0.032710 -0.040985 0.090813 0.128884 0.004953 0.051321 1Rh 5py -0.286069 0.136954 0.077196 -0.133194 -0.225640 -0.145707 1Rh 6pz -1.117378 0.301746 0.708399 -0.396983 0.280399 0.167029 1Rh 6px 0.425575 0.092714 0.142642 -0.243295 0.099559 -0.024608 1Rh 6py 0.589448 0.718373 -0.485485 0.247251 0.505184 0.233062 1Rh 1dz2 -0.007528 -0.004414 -0.011156 0.000191 0.004242 -0.009379 1Rh 1dxz -0.004416 0.007000 0.017991 -0.005245 0.001316 -0.005758 1Rh 1dyz 0.003828 -0.006459 0.003992 -0.001270 -0.005430 0.000660 1Rh 1dx2y2 -0.016141 -0.009606 0.009208 -0.003530 0.001395 -0.006450 1Rh 1dxy 0.002104 0.019869 -0.002660 -0.001509 0.004582 0.001746 1Rh 2dz2 0.000972 0.001092 0.002805 0.002611 0.000842 0.005841 1Rh 2dxz -0.000994 -0.001508 -0.003284 -0.000051 -0.000221 0.000372 1Rh 2dyz -0.003933 0.001468 -0.001816 0.004199 0.005306 0.008984 1Rh 2dx2y2 0.002635 0.001228 -0.001533 0.000553 0.000394 0.002344 1Rh 2dxy 0.000158 -0.004289 0.000569 0.002168 0.001855 0.004036 1Rh 3dz2 0.015036 0.006518 0.016254 -0.012100 -0.014644 -0.001814 1Rh 3dxz 0.015838 -0.011240 -0.031597 0.013660 -0.002423 0.013133 1Rh 3dyz 0.007597 0.010010 -0.002259 -0.015523 -0.009729 -0.041897 1Rh 3dx2y2 0.029349 0.019005 -0.016806 0.006579 -0.005391 0.006152 1Rh 3dxy -0.006161 -0.032000 0.004419 -0.005891 -0.020062 -0.022526 1Rh 4dz2 0.015183 0.015652 0.041296 0.039975 0.012005 0.088096 1Rh 4dxz -0.018416 -0.022250 -0.049632 -0.000794 -0.002884 0.007805 1Rh 4dyz -0.057053 0.023515 -0.026433 0.064890 0.080896 0.138337 1Rh 4dx2y2 0.045580 0.020992 -0.023791 0.008717 0.006003 0.036563 1Rh 4dxy 0.004964 -0.063959 0.006904 0.034663 0.029046 0.061866 1Rh 5dz2 -0.089019 -0.052540 -0.135558 -0.165115 -0.040540 -0.330453 1Rh 5dxz 0.112100 0.054248 0.143214 0.017170 -0.001793 -0.052197 1Rh 5dyz 0.166380 -0.101522 0.084982 -0.264274 -0.307126 -0.549537 1Rh 5dx2y2 -0.187438 -0.066575 0.080481 -0.034584 -0.016847 -0.145937 1Rh 5dxy -0.061474 0.197846 -0.003607 -0.153425 -0.131471 -0.247853 1Rh 1f0 0.099600 -0.118384 0.103936 0.051880 0.088799 -0.133202 1Rh 1f+1 0.040557 0.010105 0.030380 0.105201 0.081436 -0.001617 1Rh 1f-1 0.004041 -0.223287 -0.139853 -0.117305 0.023761 0.003299 1Rh 1f+2 0.100941 -0.045775 0.217015 0.032121 0.004286 0.000093 1Rh 1f-2 -0.025387 -0.131738 -0.012931 0.067756 0.081153 0.174346 1Rh 1f+3 -0.113934 0.078735 -0.077941 -0.075460 0.053610 -0.059813 1Rh 1f-3 -0.016879 0.077113 0.002653 0.034045 -0.130719 -0.145093 2C 1s -0.000616 -0.001051 0.000768 0.000043 -0.001794 -0.000603 2C 2s -0.001687 -0.004849 0.002181 -0.000333 -0.007029 -0.000638 2C 3s 0.154407 0.082250 0.002200 -0.016463 0.078573 -0.105344 2C 4s -0.932491 -0.290902 -0.101503 0.089089 -0.103254 0.652615 2C 5s -0.148750 -0.394134 0.101876 -0.767857 0.625756 1.050939 2C 1pz -0.069208 0.104482 -0.023586 0.035282 0.040116 -0.045445 2C 1px 0.034521 -0.015737 -0.012246 -0.065798 -0.049093 -0.077425 2C 1py 0.140162 -0.076461 0.031224 0.017920 0.046852 0.021428 2C 2pz -0.212900 -0.363873 0.080549 -0.090183 -0.092145 0.545953 2C 2px -0.124261 -0.213815 -0.161395 0.158113 0.053284 0.208041 2C 2py -0.704666 0.120265 -0.245396 -0.117133 0.024038 0.110469 2C 3pz -0.212371 0.004813 -0.026826 -0.107808 0.078871 0.238996 2C 3px 0.088929 -0.062993 0.031091 -0.057943 -0.083162 -0.014847 2C 3py 0.058723 -0.179425 0.104416 -0.094504 0.095504 0.215591 2C 1dz2 0.011131 -0.004965 -0.015952 -0.020177 0.011635 -0.025110 2C 1dxz -0.028123 0.024286 0.017044 -0.007466 0.018997 0.000579 2C 1dyz 0.018949 0.001965 0.003432 -0.005362 -0.014453 -0.013732 2C 1dx2y2 -0.019653 0.008973 -0.013773 -0.005623 0.022229 -0.018102 2C 1dxy 0.012529 -0.000041 0.029084 0.014574 -0.011201 0.028969 2C 2dz2 -0.086953 -0.046470 0.117502 0.025955 -0.066470 0.211141 2C 2dxz -0.070770 -0.198600 -0.159024 0.041680 0.012495 0.143505 2C 2dyz -0.293712 -0.048385 -0.074164 -0.012901 -0.004490 0.143493 2C 2dx2y2 0.132739 -0.032023 0.055263 0.011156 -0.064830 -0.018301 2C 2dxy -0.068253 -0.128542 -0.122083 0.009090 0.021143 0.030224 2C 1f0 -0.048215 0.026380 -0.022569 -0.017570 0.021598 -0.037282 2C 1f+1 0.019594 -0.024424 0.004478 0.010432 -0.020707 0.016347 2C 1f-1 -0.011893 -0.002510 0.004164 -0.000614 0.010530 0.027813 2C 1f+2 0.005399 -0.003382 0.004878 -0.019376 0.003246 -0.002587 2C 1f-2 -0.049126 0.005062 -0.012010 -0.001575 0.021856 -0.002416 2C 1f+3 -0.015583 0.006750 -0.012373 -0.028629 0.007714 -0.023072 2C 1f-3 0.026072 -0.010405 -0.004929 0.010092 -0.001933 -0.002094 3C 1s 0.000594 0.000702 -0.000253 0.001981 -0.000128 -0.000844 3C 2s 0.003823 0.003239 -0.001873 0.007906 -0.002013 -0.002019 3C 3s 0.008377 -0.097896 0.074032 -0.109774 0.091125 0.088285 3C 4s -0.378388 0.471837 -0.362831 0.232923 -0.460567 -0.454622 3C 5s -0.441852 0.062598 -0.024615 -0.678161 -1.207583 0.033812 3C 1pz 0.019765 -0.096639 -0.000123 -0.129426 0.033043 -0.049555 3C 1px -0.163950 -0.020784 -0.092125 -0.029077 0.087062 0.034434 3C 1py -0.029874 -0.038681 -0.064488 0.000091 -0.017886 -0.057864 3C 2pz -0.221439 0.335147 0.015776 0.238506 -0.280602 0.074054 3C 2px 0.353785 0.328289 0.019138 0.071966 -0.292601 -0.018147 3C 2py 0.364668 -0.059809 0.358792 -0.026437 0.313292 0.344729 3C 3pz -0.150962 -0.064270 -0.044199 -0.195695 -0.135187 -0.091975 3C 3px 0.002085 -0.083792 -0.075764 -0.011991 -0.037514 0.020979 3C 3py 0.016549 -0.165641 -0.006019 -0.009233 0.297257 0.007662 3C 1dz2 0.012699 0.014103 -0.004810 0.014404 0.001332 0.005661 3C 1dxz -0.047706 -0.021722 -0.012313 0.004331 0.003769 -0.037229 3C 1dyz -0.020355 -0.001647 0.004173 -0.017346 -0.009951 -0.005400 3C 1dx2y2 -0.020525 -0.008856 -0.009365 0.003733 0.006906 -0.028855 3C 1dxy 0.002227 0.021752 -0.023227 0.000800 0.011043 -0.000354 3C 2dz2 0.016672 -0.026152 0.120245 0.002287 0.024605 0.082824 3C 2dxz 0.007620 0.150106 -0.046750 -0.012826 -0.081363 0.008800 3C 2dyz 0.087603 -0.077437 0.025762 -0.084730 0.116498 0.038532 3C 2dx2y2 0.146415 0.026587 0.066574 -0.016803 0.070908 0.172593 3C 2dxy 0.050557 -0.231185 0.171752 0.000436 0.090400 0.055168 3C 1f0 -0.000634 -0.013010 -0.016192 0.006766 0.024948 -0.027285 3C 1f+1 0.049395 0.001411 0.008292 -0.000949 0.002188 0.013892 3C 1f-1 0.016872 0.013226 0.012363 -0.004729 -0.010823 0.013379 3C 1f+2 0.031759 -0.003135 0.001692 0.018195 -0.001431 0.023831 3C 1f-2 -0.004347 -0.008421 0.002545 -0.000919 -0.004169 -0.003173 3C 1f+3 -0.054484 -0.010945 -0.033458 -0.009498 0.003536 -0.034878 3C 1f-3 -0.066892 -0.000727 -0.019797 -0.012233 0.009116 -0.021844 4C 1s -0.002182 0.001116 0.001225 -0.003233 0.001817 -0.001369 4C 2s -0.006565 0.003500 0.003589 -0.009070 0.007178 -0.005266 4C 3s 0.176601 -0.075071 0.007476 0.223314 -0.359070 -0.117702 4C 4s -0.608720 0.369790 -0.140967 -1.076554 1.701571 0.914194 4C 5s -0.408668 0.170289 -0.092060 0.078787 0.500302 -0.018850 4C 1pz 0.102060 -0.095723 -0.044016 0.032621 -0.004190 0.004590 4C 1px 0.141439 0.235119 0.213382 -0.076607 -0.042353 -0.189306 4C 1py 0.057050 0.104882 0.048402 0.018135 -0.135591 -0.072048 4C 2pz -0.895542 0.723194 0.441740 -0.225028 0.173321 0.721940 4C 2px -0.848441 -2.528098 -1.949265 0.089682 -0.152468 0.656931 4C 2py -0.493859 -0.762849 -0.539252 -0.229369 0.792287 0.574281 4C 3pz -0.255520 -0.307572 0.214528 -0.528729 0.424039 0.803867 4C 3px -0.434539 -0.419757 -0.162385 -0.134153 -0.038183 0.173362 4C 3py -0.176042 -0.251449 0.023702 -0.249145 0.250536 0.529933 4C 1dz2 0.038745 -0.002390 0.008462 -0.003146 -0.000175 -0.015778 4C 1dxz -0.009499 0.002247 -0.020112 0.005601 0.023843 0.016108 4C 1dyz -0.017991 0.007730 0.001231 -0.021031 -0.004819 -0.013296 4C 1dx2y2 0.004313 0.007612 -0.015628 0.011171 0.020731 -0.007317 4C 1dxy 0.015198 -0.021383 0.007726 0.018715 0.001970 0.040831 4C 2dz2 0.335902 0.560035 0.671331 0.074535 -0.407472 -0.118801 4C 2dxz 0.098865 -1.019224 -0.760326 0.184654 -0.346930 0.040582 4C 2dyz 0.183315 0.100967 -0.016500 -0.005357 0.192317 -0.204741 4C 2dx2y2 -0.315600 -0.153629 -0.041924 -0.002346 0.041047 0.437167 4C 2dxy -0.184612 -0.725609 -0.663753 -0.068303 0.196435 0.118824 4C 1f0 0.017598 -0.014448 -0.026468 -0.011079 0.016542 -0.019450 4C 1f+1 0.004242 -0.010022 0.020146 0.003577 -0.012727 -0.003192 4C 1f-1 0.014224 -0.003625 0.015189 0.002736 -0.013099 -0.000587 4C 1f+2 -0.007133 0.020059 0.013208 -0.011097 0.076154 0.007961 4C 1f-2 0.002990 -0.009279 -0.014638 -0.001488 0.020347 -0.002976 4C 1f+3 -0.011132 0.041751 0.006064 0.018459 -0.029725 0.030087 4C 1f-3 0.021968 0.029020 0.016086 0.010543 0.010541 0.004193 5C 1s -0.007964 -0.000851 -0.000442 -0.001312 0.000435 0.000122 5C 2s -0.026085 -0.003296 -0.001413 -0.006394 0.003279 0.000192 5C 3s 0.662903 0.068878 -0.015378 0.417185 0.106285 0.014380 5C 4s -2.648582 -0.291260 0.157237 -2.011067 -0.854132 0.037680 5C 5s -1.102229 0.084883 -0.010119 -0.630959 0.276376 -0.088471 5C 1pz 0.057825 0.113554 -0.059108 0.111873 -0.001417 -0.050461 5C 1px 0.177426 -0.177935 0.262884 0.153458 0.088728 0.181491 5C 1py -0.145322 0.028385 0.019802 0.004624 -0.018691 -0.002476 5C 2pz -0.102227 -0.706441 0.690363 -0.701040 -0.368567 0.062476 5C 2px -2.107386 1.862058 -2.608565 -0.729522 -0.245225 -0.422244 5C 2py 0.796744 -0.141883 -0.124143 0.001119 0.638949 0.372137 5C 3pz -0.155608 0.103200 0.104307 -0.236672 -0.457051 0.001214 5C 3px -0.714610 0.308323 -0.475353 -0.143236 -0.285448 -0.051082 5C 3py 0.375059 -0.088883 0.023937 0.441727 0.899307 0.155506 5C 1dz2 0.023491 0.009865 0.008022 0.023772 -0.010816 0.014083 5C 1dxz -0.027151 -0.007811 -0.021390 0.000272 -0.008983 -0.040571 5C 1dyz 0.005600 0.010633 -0.001042 -0.013877 0.002062 -0.006287 5C 1dx2y2 0.010969 0.009377 -0.014820 -0.003736 -0.009030 -0.029119 5C 1dxy -0.024430 -0.013637 -0.012912 0.008946 0.024860 0.014298 5C 2dz2 0.355837 -0.277861 0.411634 0.057093 0.043419 0.228574 5C 2dxz 0.339154 0.293772 -0.263333 -0.012676 0.123358 0.245487 5C 2dyz -0.103518 0.495995 -0.552025 0.232361 -0.061443 -0.166926 5C 2dx2y2 -0.703721 0.577119 -0.500317 -0.551769 -0.245874 0.016242 5C 2dxy 0.240700 -0.758910 0.885183 0.060350 -0.090636 0.051463 5C 1f0 -0.019451 -0.006916 -0.025598 -0.022340 0.012870 0.027058 5C 1f+1 0.026745 -0.004192 0.024626 -0.004973 -0.002998 -0.006388 5C 1f-1 -0.013799 -0.012237 0.008398 -0.064374 -0.003890 0.019208 5C 1f+2 -0.024499 0.001870 0.019662 0.006459 -0.004450 -0.028028 5C 1f-2 0.000281 -0.038179 0.027747 -0.055823 -0.012206 -0.003347 5C 1f+3 0.064735 -0.040746 0.013584 0.011907 -0.008938 -0.006043 5C 1f-3 -0.034160 -0.007799 0.004370 -0.030185 -0.006983 -0.006641 6C 1s 0.007811 -0.001049 -0.000772 0.001219 -0.000389 -0.000151 6C 2s 0.025585 -0.003920 -0.002848 0.006052 -0.003130 -0.000232 6C 3s -0.658450 0.078699 0.068450 -0.411992 -0.104370 -0.018892 6C 4s 2.640528 -0.325068 -0.240020 2.000307 0.837300 -0.009639 6C 5s 1.105186 0.072951 -0.138152 0.615336 -0.282140 0.080933 6C 1pz 0.058247 -0.115091 0.036364 0.121774 -0.001812 -0.047697 6C 1px 0.177785 0.180754 -0.290576 0.102520 0.088868 0.180012 6C 1py -0.145553 -0.025163 -0.016790 0.001756 -0.020455 -0.001246 6C 2pz -0.108069 0.706814 -0.546790 -0.821673 -0.367312 0.046514 6C 2px -2.107629 -1.858789 2.744298 -0.241468 -0.243524 -0.406747 6C 2py 0.806721 0.129487 0.092096 0.022106 0.644439 0.372826 6C 3pz -0.157182 -0.106828 -0.060213 -0.252650 -0.456334 -0.005436 6C 3px -0.711715 -0.310005 0.511906 -0.054419 -0.286842 -0.045619 6C 3py 0.375878 0.090773 -0.113709 0.432918 0.896194 0.169444 6C 1dz2 -0.022923 0.009348 0.011868 -0.021967 0.010868 -0.013982 6C 1dxz 0.026355 -0.007893 -0.021365 -0.004182 0.008637 0.040104 6C 1dyz -0.005263 0.011038 -0.003380 0.013405 -0.001782 0.006242 6C 1dx2y2 -0.010885 0.009680 -0.015580 0.000767 0.009156 0.029304 6C 1dxy 0.023924 -0.014378 -0.011472 -0.010892 -0.024846 -0.014097 6C 2dz2 -0.361737 -0.273185 0.426114 0.020236 -0.039532 -0.234039 6C 2dxz -0.335599 0.297227 -0.255362 -0.033264 -0.124725 -0.243336 6C 2dyz 0.109053 0.494235 -0.510870 -0.330157 0.062716 0.162869 6C 2dx2y2 0.708006 0.573539 -0.607961 0.451557 0.246688 -0.017348 6C 2dxy -0.242005 -0.761422 0.884768 0.106976 0.095899 -0.047858 6C 1f0 -0.019251 0.007364 0.029610 -0.017775 0.012912 0.026798 6C 1f+1 0.026716 0.003458 -0.024140 -0.008879 -0.003039 -0.005963 6C 1f-1 -0.013673 0.011797 0.003377 -0.065063 -0.003735 0.018667 6C 1f+2 -0.024387 -0.001476 -0.020125 0.003356 -0.004788 -0.027806 6C 1f-2 0.000113 0.038121 -0.017504 -0.060417 -0.011840 -0.004160 6C 1f+3 0.064853 0.039819 -0.016280 0.008364 -0.008964 -0.006587 6C 1f-3 -0.034198 0.007824 0.001817 -0.030508 -0.006728 -0.006858 7C 1s 0.002199 0.001192 0.000811 0.003438 -0.001824 0.001467 7C 2s 0.006650 0.003783 0.002538 0.009694 -0.007119 0.005609 7C 3s -0.180975 -0.083481 0.034415 -0.220760 0.349101 0.116475 7C 4s 0.630283 0.409995 -0.279733 1.043331 -1.645776 -0.917960 7C 5s 0.420503 0.176050 -0.062908 -0.085249 -0.494477 0.018757 7C 1pz 0.105342 0.094093 0.039466 0.036820 -0.003451 0.002093 7C 1px 0.136823 -0.238725 -0.199669 -0.108043 -0.044286 -0.187902 7C 1py 0.057994 -0.104385 -0.049779 0.011512 -0.135624 -0.070912 7C 2pz -0.916841 -0.701326 -0.403495 -0.277508 0.170741 0.740142 7C 2px -0.799923 2.529886 1.947437 0.383149 -0.125796 0.639376 7C 2py -0.495188 0.760664 0.576189 -0.144321 0.801760 0.571248 7C 3pz -0.252543 0.294256 -0.121807 -0.551060 0.425925 0.807433 7C 3px -0.436244 0.418609 0.196683 -0.109973 -0.025477 0.165104 7C 3py -0.176945 0.243404 0.021476 -0.247667 0.257985 0.534985 7C 1dz2 -0.038805 -0.001323 0.008223 0.004587 -0.000175 0.015972 7C 1dxz 0.009283 0.001829 -0.018745 -0.008900 -0.024125 -0.016296 7C 1dyz 0.017940 0.007946 -0.002866 0.020895 0.004543 0.013335 7C 1dx2y2 -0.003855 0.007531 -0.013232 -0.013886 -0.020743 0.007237 7C 1dxy -0.015559 -0.021194 0.011354 -0.016593 -0.001722 -0.040337 7C 2dz2 -0.319869 0.560067 0.680425 0.035628 0.417730 0.116875 7C 2dxz -0.131038 -1.019286 -0.729548 -0.297448 0.346106 -0.037345 7C 2dyz -0.181606 0.111650 -0.011017 0.002933 -0.182358 0.208161 7C 2dx2y2 0.313950 -0.153541 -0.036699 -0.001296 -0.036557 -0.440099 7C 2dxy 0.167092 -0.727836 -0.674808 -0.038362 -0.197113 -0.121478 7C 1f0 0.017793 0.013478 0.028074 -0.006635 0.017019 -0.020246 7C 1f+1 0.003790 0.010145 -0.020056 0.000037 -0.012056 -0.003490 7C 1f-1 0.014608 0.004138 -0.014768 0.000021 -0.011966 -0.000902 7C 1f+2 -0.008026 -0.020639 -0.012300 -0.013137 0.075318 0.007791 7C 1f-2 0.003129 0.008916 0.015376 0.000814 0.020902 -0.003650 7C 1f+3 -0.011371 -0.040928 -0.009440 0.017789 -0.029916 0.030548 7C 1f-3 0.021605 -0.028849 -0.018319 0.007999 0.010048 0.004107 8C 1s -0.000576 0.000740 0.000126 -0.001971 0.000087 0.000810 8C 2s -0.003735 0.003391 -0.000367 -0.008033 0.001897 0.001915 8C 3s -0.011091 -0.099305 0.056743 0.119991 -0.091866 -0.086267 8C 4s 0.391060 0.472152 -0.341636 -0.290084 0.469486 0.445961 8C 5s 0.439541 0.064882 -0.157932 0.663080 1.207989 -0.012069 8C 1pz 0.017408 0.095165 0.023844 -0.127826 0.034435 -0.054176 8C 1px -0.160338 0.024257 0.095502 -0.012057 0.086594 0.037750 8C 1py -0.030080 0.037955 0.064558 0.010114 -0.016483 -0.058875 8C 2pz -0.216355 -0.331031 -0.052560 0.231911 -0.288578 0.088306 8C 2px 0.340255 -0.335242 -0.024629 0.068475 -0.292227 -0.026624 8C 2py 0.371141 0.059427 -0.366528 -0.085413 0.314487 0.345475 8C 3pz -0.151938 0.066701 0.084525 -0.185656 -0.134535 -0.096486 8C 3px 0.006393 0.083985 0.075186 -0.000028 -0.037785 0.017820 8C 3py 0.018820 0.167763 0.004963 -0.008681 0.299775 0.007589 8C 1dz2 -0.011774 0.013840 -0.002212 -0.015172 -0.001362 -0.005406 8C 1dxz 0.046556 -0.021809 -0.011820 -0.006576 -0.003781 0.036701 8C 1dyz 0.020103 -0.001696 0.000327 0.017991 0.010595 0.005294 8C 1dx2y2 0.020449 -0.008604 -0.009122 -0.005374 -0.006704 0.028891 8C 1dxy -0.001879 0.021370 -0.022800 -0.005355 -0.011267 0.000355 8C 2dz2 -0.019783 -0.025986 0.122214 0.019585 -0.023016 -0.085340 8C 2dxz -0.004600 0.150384 -0.050375 0.004292 0.082118 -0.009066 8C 2dyz -0.088837 -0.076741 0.016572 0.086515 -0.120696 -0.033686 8C 2dx2y2 -0.147091 0.027070 0.068428 0.027450 -0.071822 -0.172342 8C 2dxy -0.055774 -0.231389 0.175199 0.030668 -0.090888 -0.057105 8C 1f0 -0.000111 0.012496 0.014543 0.009657 0.025308 -0.027339 8C 1f+1 0.048508 -0.002182 -0.008665 -0.002513 0.002260 0.013421 8C 1f-1 0.016613 -0.013133 -0.011192 -0.007142 -0.011320 0.013441 8C 1f+2 0.031910 0.002543 -0.005934 0.017467 -0.001006 0.023504 8C 1f-2 -0.003367 0.008689 -0.002834 -0.001257 -0.003926 -0.002530 8C 1f+3 -0.053037 0.010965 0.035153 -0.003076 0.003583 -0.033995 8C 1f-3 -0.066044 0.001542 0.022505 -0.008537 0.008740 -0.020842 9C 1s 0.000588 -0.001045 0.000649 0.000104 0.001672 0.000658 9C 2s 0.001586 -0.004874 0.001656 0.000749 0.006601 0.000821 9C 3s -0.153801 0.087413 0.005975 0.017310 -0.069697 0.105125 9C 4s 0.933417 -0.319957 -0.105377 -0.111165 0.067630 -0.658871 9C 5s 0.144008 -0.374798 -0.025282 0.765102 -0.615741 -1.060642 9C 1pz -0.070528 -0.101930 0.015759 0.041379 0.036727 -0.042982 9C 1px 0.031388 0.011801 0.023411 -0.064032 -0.046255 -0.079765 9C 1py 0.138950 0.072035 -0.037446 0.009550 0.044235 0.019991 9C 2pz -0.212773 0.370177 -0.056469 -0.106735 -0.073525 0.543983 9C 2px -0.106523 0.226607 0.134733 0.185794 0.046517 0.215539 9C 2py -0.701780 -0.100722 0.276459 -0.063696 0.038993 0.117255 9C 3pz -0.212792 -0.004249 0.047217 -0.096824 0.082845 0.242349 9C 3px 0.087043 0.059054 -0.015463 -0.060312 -0.082437 -0.016487 9C 3py 0.059927 0.177408 -0.089207 -0.112427 0.095038 0.216524 9C 1dz2 -0.011805 -0.004384 -0.019064 0.017043 -0.011589 0.025156 9C 1dxz 0.029847 0.024383 0.015033 0.010167 -0.019722 0.000021 9C 1dyz -0.019230 0.002493 0.002299 0.006234 0.014451 0.013908 9C 1dx2y2 0.019982 0.008789 -0.015116 0.002821 -0.022510 0.018163 9C 1dxy -0.011632 0.000497 0.031005 -0.008829 0.011182 -0.028051 9C 2dz2 0.088041 -0.050066 0.119067 -0.004536 0.062582 -0.209032 9C 2dxz 0.062190 -0.201695 -0.150524 -0.067092 -0.012268 -0.146255 9C 2dyz 0.293933 -0.057724 -0.081759 -0.003014 -0.005573 -0.146959 9C 2dx2y2 -0.134400 -0.027858 0.058500 0.000278 0.068990 0.020188 9C 2dxy 0.063406 -0.132703 -0.120514 -0.029588 -0.021240 -0.032504 9C 1f0 -0.048223 -0.025501 0.026084 -0.012380 0.021674 -0.036703 9C 1f+1 0.019326 0.023885 -0.005406 0.009329 -0.021089 0.015677 9C 1f-1 -0.012188 0.002732 -0.004691 -0.001652 0.010567 0.027715 9C 1f+2 0.006470 0.002720 -0.001503 -0.020840 0.003145 -0.003915 9C 1f-2 -0.049332 -0.004260 0.012369 0.000492 0.022828 -0.002245 9C 1f+3 -0.016630 -0.007199 0.017680 -0.026043 0.008093 -0.023058 9C 1f-3 0.027050 0.010235 0.003656 0.009923 -0.002758 -0.002678 10H 1s -0.003129 -0.020012 -0.059554 0.021260 -0.011306 -0.064579 10H 2s 0.051147 -0.056408 0.046694 -0.128770 -0.004412 0.101683 10H 3s -0.080991 0.106915 -0.052453 0.128008 -0.014716 -0.091194 10H 1pz -0.042613 0.044285 0.006212 -0.043425 -0.039003 -0.059999 10H 1px -0.017331 0.003593 0.002484 -0.027589 -0.051411 -0.062602 10H 1py 0.089381 -0.067731 0.010981 -0.020947 -0.018771 -0.001750 11H 1s -0.148199 0.063643 -0.035874 -0.023233 0.095838 -0.030068 11H 2s 0.365198 -0.228492 0.111732 0.060779 -0.179975 0.098294 11H 3s -0.238896 0.147188 -0.097498 0.011882 -0.054989 -0.175366 11H 1pz -0.033780 -0.054788 0.001572 0.046467 0.075676 0.086428 11H 1px 0.071242 -0.050235 0.010834 -0.047566 -0.051284 -0.039535 11H 1py 0.005345 -0.094711 -0.000785 0.006565 0.027250 0.078767 12H 1s 0.028466 -0.022813 0.068877 0.087213 -0.037422 0.133838 12H 2s -0.204902 0.136405 -0.146471 -0.130985 0.022099 -0.219667 12H 3s 0.201968 -0.170983 0.168992 0.131571 -0.158284 0.087825 12H 1pz -0.168761 0.040664 -0.055023 0.072040 0.004867 0.070347 12H 1px -0.024403 -0.000508 -0.031013 -0.059147 -0.022375 -0.075973 12H 1py -0.041473 0.003606 -0.017892 0.032864 0.001826 0.037216 13H 1s 0.103517 0.050729 -0.006871 0.020635 0.041472 0.062904 13H 2s -0.378616 -0.003967 -0.109091 -0.013777 -0.053092 -0.074517 13H 3s 0.232723 0.081352 0.094711 0.066763 0.071035 -0.006135 13H 1pz -0.062381 -0.022366 -0.045769 -0.039971 0.027987 -0.019105 13H 1px -0.089578 0.008275 -0.058859 0.027687 0.061113 0.032950 13H 1py 0.023956 -0.055152 -0.011528 -0.085256 -0.017052 -0.066242 14H 1s -0.157915 -0.043770 -0.061481 -0.021470 0.034982 -0.160758 14H 2s 0.403744 0.144228 0.188147 0.138088 -0.139610 0.276038 14H 3s -0.211969 -0.154659 -0.195689 0.025711 0.195106 -0.190219 14H 1pz 0.089375 -0.000735 0.033439 -0.017195 -0.041613 -0.065974 14H 1px -0.068178 0.043283 -0.028571 0.023918 0.019509 0.056346 14H 1py 0.008412 -0.125793 -0.000067 -0.050137 0.056749 0.042136 15H 1s -0.020473 0.026969 0.044198 -0.049357 -0.033688 0.018350 15H 2s 0.127421 -0.147668 -0.127007 0.064640 0.051396 -0.071340 15H 3s 0.130475 0.157044 0.063358 0.184674 0.004331 0.076993 15H 1pz 0.000558 -0.028107 -0.026470 -0.088011 -0.031674 -0.092800 15H 1px -0.141505 -0.009868 -0.092685 -0.013885 0.053127 0.004588 15H 1py -0.036783 0.037443 0.018216 0.086574 0.038111 0.047718 16H 1s 0.036279 0.027589 0.029062 -0.005821 0.001156 -0.018968 16H 2s -0.115960 -0.118852 -0.153986 -0.005749 0.001130 0.106379 16H 3s -0.037389 0.058726 0.026066 0.023310 0.008549 -0.037919 16H 1pz 0.042097 -0.014071 0.000211 -0.004637 -0.034080 0.001004 16H 1px -0.029260 -0.050158 0.008935 0.044608 -0.013145 0.003553 16H 1py -0.116192 -0.082657 -0.101608 0.004449 0.027420 0.014051 17H 1s 0.023248 0.015279 -0.000832 -0.011349 0.011837 -0.001080 17H 2s -0.001617 -0.055079 0.103213 0.049124 -0.021778 -0.031287 17H 3s -0.004530 0.021406 -0.015772 -0.036467 -0.061731 -0.016614 17H 1pz 0.110958 0.029473 0.028765 0.022214 -0.012763 -0.008024 17H 1px -0.064453 -0.018252 0.052164 -0.065665 -0.056366 -0.080983 17H 1py -0.073015 -0.045499 0.108404 0.000552 -0.025169 -0.047201 18H 1s -0.022541 0.014705 -0.001276 0.011711 -0.013195 -0.000496 18H 2s -0.000670 -0.049460 0.110339 -0.034603 0.026519 0.035802 18H 3s 0.007156 0.020196 -0.022756 0.033265 0.059690 0.013569 18H 1pz 0.109627 -0.029229 -0.030793 0.017216 -0.010717 -0.004775 18H 1px -0.064923 0.013868 -0.039824 -0.072673 -0.057537 -0.078866 18H 1py -0.073211 0.042034 -0.106100 -0.017106 -0.027557 -0.049876 19H 1s -0.035878 0.028476 0.028847 0.011217 -0.001766 0.016894 19H 2s 0.110382 -0.123902 -0.151642 -0.022773 -0.001420 -0.100396 19H 3s 0.037394 0.059204 0.029874 -0.018927 -0.006967 0.035472 19H 1pz 0.042714 0.011612 0.000610 -0.004665 -0.034336 -0.000669 19H 1px -0.027861 0.053118 -0.018570 0.044044 -0.012787 0.003442 19H 1py -0.113254 0.086239 0.099524 0.021396 0.026055 0.010738 20H 1s 0.019686 0.026110 0.034075 0.057024 0.035700 -0.019193 20H 2s -0.124347 -0.143478 -0.112989 -0.084978 -0.055924 0.076799 20H 3s -0.130795 0.158302 0.098384 -0.170768 -0.001388 -0.083991 20H 1pz -0.001935 0.026132 0.044152 -0.082490 -0.030989 -0.096201 20H 1px -0.139488 0.012897 0.095305 0.003003 0.052934 0.006105 20H 1py -0.035174 -0.035050 -0.034784 0.082849 0.037678 0.051600 21H 1s 0.156032 -0.043702 -0.066956 0.009394 -0.034469 0.159025 21H 2s -0.399207 0.147470 0.213553 -0.102568 0.139048 -0.272927 21H 3s 0.206675 -0.156944 -0.190108 -0.057933 -0.195101 0.188182 21H 1pz 0.086390 -0.002867 -0.029511 -0.022137 -0.041137 -0.069067 21H 1px -0.067218 -0.041763 0.024489 0.029183 0.018842 0.059041 21H 1py 0.009742 0.126947 0.007051 -0.050656 0.058570 0.039657 22H 1s -0.099556 0.050710 -0.003174 -0.021743 -0.042131 -0.060520 22H 2s 0.368947 -0.008563 -0.110640 -0.004788 0.053936 0.066599 22H 3s -0.224286 0.082543 0.105602 -0.050106 -0.071509 0.006523 22H 1pz -0.062089 0.023291 0.052395 -0.031973 0.028532 -0.019209 22H 1px -0.088222 -0.005784 0.053551 0.037442 0.060482 0.035291 22H 1py 0.023824 0.051774 0.025957 -0.081689 -0.015608 -0.069677 23H 1s -0.026760 -0.023436 0.084232 -0.072419 0.037812 -0.133038 23H 2s 0.198694 0.131529 -0.174570 0.098399 -0.021639 0.219035 23H 3s -0.199491 -0.169904 0.189466 -0.095974 0.154401 -0.084688 23H 1pz -0.167298 -0.034556 0.043999 0.082810 0.005969 0.072790 23H 1px -0.024647 -0.001050 0.041566 -0.053882 -0.019153 -0.077930 23H 1py -0.041504 -0.002183 0.013726 0.035910 0.000220 0.037505 24H 1s 0.151103 0.062224 -0.039594 0.014743 -0.098504 0.029673 24H 2s -0.370041 -0.224477 0.120157 -0.036081 0.184116 -0.096861 24H 3s 0.243012 0.142596 -0.101634 -0.031835 0.046650 0.177068 24H 1pz -0.034341 0.056222 -0.008861 0.046438 0.074486 0.087245 24H 1px 0.069589 0.046534 -0.003043 -0.050086 -0.049938 -0.041218 24H 1py 0.004960 0.094243 -0.000357 0.005059 0.028062 0.078375 25H 1s -0.000366 -0.021907 -0.055304 -0.032561 0.012752 0.061853 25H 2s -0.046428 -0.049950 0.024860 0.140779 -0.002521 -0.095183 25H 3s 0.077071 0.100146 -0.027984 -0.137058 0.014604 0.087065 25H 1pz -0.042671 -0.042201 0.001834 -0.042882 -0.036202 -0.059082 25H 1px -0.018753 -0.004255 0.003466 -0.027466 -0.048838 -0.063343 25H 1py 0.089364 0.063662 -0.008701 -0.024382 -0.016822 -0.003557 26O 1s -0.002769 -0.006027 -0.007317 0.003416 0.002255 0.000725 26O 2s -0.005183 -0.011460 -0.015771 0.009208 0.004328 -0.000692 26O 3s -0.042272 -0.094347 -0.064651 -0.031497 0.026449 0.050677 26O 4s 0.360723 0.918099 0.859422 -0.041431 -0.222654 -0.182162 26O 5s 1.084448 1.509580 1.073604 0.470002 -0.716639 -1.435514 26O 1pz 0.021542 0.040672 0.030803 -0.013913 0.024009 -0.021805 26O 1px 0.002081 -0.045510 -0.035783 -0.036752 0.017323 0.031572 26O 1py 0.017134 0.003722 0.024350 0.016381 -0.015448 -0.000776 26O 2pz -0.038723 -0.031638 -0.054143 -0.042804 0.007618 0.028088 26O 2px -0.297075 -0.614620 -0.561933 0.000979 0.178128 0.240276 26O 2py -0.093714 -0.309570 -0.196394 -0.032728 0.087367 0.132790 26O 3pz -0.018589 -0.056297 -0.002470 -0.066498 0.140823 -0.292851 26O 3px -0.471794 -0.793939 -0.564069 -0.373634 0.429528 0.382727 26O 3py -0.558409 -0.145397 -0.322333 -0.166372 -0.180666 0.062515 26O 1dz2 0.003407 -0.000520 0.010215 -0.000480 -0.001166 -0.000207 26O 1dxz 0.003306 0.000518 0.004371 -0.000231 -0.005174 -0.002749 26O 1dyz 0.000579 0.006816 0.000632 -0.000719 -0.000565 0.001351 26O 1dx2y2 -0.003775 -0.009278 -0.002609 0.001352 -0.002780 0.008536 26O 1dxy 0.001127 -0.004586 -0.001849 -0.001033 0.006323 -0.000031 26O 2dz2 0.062349 -0.304408 -0.109324 -0.084919 0.021054 0.008855 26O 2dxz 0.089498 0.020466 0.096889 0.082011 -0.265111 0.013806 26O 2dyz -0.001201 -0.060734 -0.136528 -0.055234 -0.196901 -0.047696 26O 2dx2y2 -0.042426 0.106400 0.209083 0.187080 -0.286596 0.149416 26O 2dxy 0.178874 0.098840 0.045187 -0.029387 0.306348 -0.202165 26O 1f0 0.005172 0.005410 -0.001192 -0.000812 0.001287 -0.005861 26O 1f+1 0.005084 0.014566 0.005722 -0.000658 -0.000996 -0.007220 26O 1f-1 0.003000 0.002166 -0.001382 0.000541 -0.002358 -0.007664 26O 1f+2 -0.001119 0.006617 -0.001977 0.000816 0.005119 0.000050 26O 1f-2 -0.002610 -0.008785 -0.007425 0.001616 0.003695 0.007510 26O 1f+3 0.005510 0.005142 0.008601 0.000677 -0.001428 -0.001473 26O 1f-3 0.011762 0.018318 0.020188 -0.001300 -0.011840 -0.010844 27O 1s -0.001367 0.005535 -0.006517 -0.003919 0.002932 -0.002149 27O 2s 0.001475 0.010993 -0.012978 -0.008108 0.009150 -0.003805 27O 3s -0.134960 0.075188 -0.086345 -0.037714 -0.046712 -0.021364 27O 4s 0.678277 -0.811414 0.898570 0.377219 -0.010941 0.160540 27O 5s 2.747559 -1.011533 1.499614 1.184011 0.988844 0.429481 27O 1pz 0.002231 -0.024264 0.006744 0.023362 0.021502 -0.000334 27O 1px -0.043331 0.017634 -0.029687 -0.017211 -0.026071 0.015103 27O 1py 0.001513 0.041430 -0.042606 0.032071 -0.011346 -0.000415 27O 2pz -0.015746 -0.079216 0.011538 -0.008528 -0.007223 0.004071 27O 2px -0.634422 0.532203 -0.654021 -0.340260 -0.111923 -0.174532 27O 2py 0.157183 -0.131929 0.112095 0.047640 0.058306 0.003400 27O 3pz 0.032648 0.237745 0.004259 0.382845 0.083715 -0.038968 27O 3px -1.623785 0.656927 -0.935218 -0.509529 -0.303146 0.098527 27O 3py 0.433351 0.036332 0.212503 0.255226 -0.230182 -0.302483 27O 1dz2 0.003888 0.004476 0.007804 0.003921 0.001170 0.002420 27O 1dxz 0.002650 -0.003422 0.005034 -0.004345 0.002941 0.008255 27O 1dyz -0.000544 -0.000281 -0.004932 0.001308 0.002687 -0.000244 27O 1dx2y2 -0.002242 0.010864 -0.004231 -0.003590 -0.003198 -0.000535 27O 1dxy 0.003394 -0.000794 0.000594 -0.003785 -0.002820 -0.000271 27O 2dz2 -0.117737 0.190395 -0.044002 0.078470 -0.053592 -0.018171 27O 2dxz 0.177100 -0.136416 0.140431 -0.349861 0.023395 0.324180 27O 2dyz -0.066920 -0.180561 0.087995 -0.027047 0.015744 -0.143891 27O 2dx2y2 0.366592 -0.160856 0.332712 -0.000316 -0.000664 -0.061647 27O 2dxy -0.152113 -0.083908 0.035113 -0.344169 -0.065517 0.081120 27O 1f0 -0.001008 0.001486 0.000488 0.001248 -0.002802 0.001211 27O 1f+1 0.017801 -0.015962 0.014340 0.012943 0.004463 0.005061 27O 1f-1 -0.004183 0.005940 0.000703 -0.006407 -0.002379 -0.001111 27O 1f+2 0.003160 -0.007679 0.006638 -0.000082 -0.002962 -0.002671 27O 1f-2 0.003136 -0.002380 0.008512 0.001317 0.001434 0.004946 27O 1f+3 0.019054 -0.006926 0.016557 0.009997 0.001821 0.006470 27O 1f-3 -0.011408 0.005385 -0.012032 -0.007047 -0.005029 -0.012065 28O 1s 0.001656 0.006826 0.005405 0.003723 0.000871 -0.002064 28O 2s 0.004880 0.013595 0.010970 0.011458 0.001750 -0.004294 28O 3s -0.028338 0.093662 0.066693 -0.056648 0.022025 -0.000678 28O 4s 0.090693 -0.982566 -0.759871 -0.010378 -0.168328 0.079895 28O 5s 0.023566 -1.189176 -0.905345 0.855120 -0.821128 -0.575633 28O 1pz -0.048077 -0.018630 -0.018933 -0.006649 0.045089 0.019836 28O 1px -0.026005 -0.037131 -0.032680 0.009653 -0.008755 -0.056691 28O 1py 0.036905 -0.021802 -0.022826 0.028702 -0.019969 0.025362 28O 2pz -0.037454 0.400512 0.334385 -0.069110 0.099077 0.047566 28O 2px 0.015211 -0.548045 -0.412819 0.082555 -0.104817 0.078559 28O 2py -0.077876 0.074327 -0.006748 -0.034408 0.060033 0.015724 28O 3pz -0.054796 0.706577 0.153058 0.007863 0.717525 0.427632 28O 3px 0.225799 -0.606385 -0.446405 0.296271 -0.389907 -0.497869 28O 3py -0.125245 0.111495 0.251705 0.058321 -0.069898 0.206653 28O 1dz2 -0.006747 0.000422 -0.007746 0.001584 -0.000030 0.002512 28O 1dxz 0.000767 -0.004725 -0.008332 -0.000220 0.000231 -0.001922 28O 1dyz 0.003215 -0.004217 -0.001491 -0.000176 0.002820 0.000782 28O 1dx2y2 0.002180 0.008524 0.000992 -0.004648 0.000102 -0.005066 28O 1dxy 0.000709 -0.000840 0.002954 -0.003145 -0.007028 -0.003044 28O 2dz2 -0.151408 0.103477 -0.027355 0.044464 -0.097900 0.059674 28O 2dxz -0.052751 0.299494 0.036108 -0.054229 0.315078 0.117994 28O 2dyz 0.086246 0.071114 0.128287 0.049119 0.129633 0.078710 28O 2dx2y2 0.072832 -0.024528 -0.208079 -0.087857 0.066875 -0.310526 28O 2dxy -0.027025 0.115464 0.211511 0.001963 -0.315182 0.089934 28O 1f0 0.006723 -0.011478 -0.000083 0.000294 0.000958 -0.000714 28O 1f+1 -0.000895 -0.010868 -0.007900 0.004104 0.002601 0.005028 28O 1f-1 -0.000867 0.009598 0.008008 0.001304 0.000691 -0.002852 28O 1f+2 0.003554 0.013255 0.014903 -0.004124 0.007239 -0.002513 28O 1f-2 0.000760 -0.005987 -0.000968 0.006606 -0.000155 0.007242 28O 1f+3 -0.001887 0.013194 0.008143 -0.001391 0.005016 -0.000404 28O 1f-3 -0.001117 -0.000504 0.000244 0.000872 -0.004465 0.003894 29O 1s 0.000538 0.000108 0.000349 -0.000376 0.000264 -0.000223 29O 2s 0.003288 0.001010 0.001651 -0.001486 0.000875 -0.001047 29O 3s -0.053586 -0.023887 -0.020953 0.015208 -0.004509 0.015160 29O 4s 0.242882 0.071135 0.076848 -0.043468 0.010036 -0.051495 29O 5s -0.411507 0.085663 -0.091729 0.023823 -0.010983 0.026871 29O 1pz -0.002740 0.003087 0.009358 -0.000318 -0.008899 -0.009478 29O 1px 0.055165 0.014317 0.001922 0.003580 -0.002270 -0.001813 29O 1py 0.044610 0.039779 0.000329 -0.008772 -0.004830 -0.002739 29O 2pz 0.012958 -0.025850 -0.046453 -0.016925 -0.013463 0.003721 29O 2px -0.007267 0.017220 -0.008686 -0.018718 -0.011015 -0.012757 29O 2py -0.063021 -0.048421 -0.014848 0.023097 0.006404 0.020896 29O 3pz -0.130753 -0.007072 -0.136785 0.005545 0.005375 0.064333 29O 3px 0.211980 -0.013956 -0.030740 0.011702 0.067433 0.052257 29O 3py 0.056637 -0.000325 0.001394 -0.026125 -0.022486 0.003280 29O 1dz2 -0.000526 -0.000936 -0.002142 -0.000368 0.000326 -0.000129 29O 1dxz -0.001313 0.001844 0.003118 0.001043 0.001319 -0.000176 29O 1dyz 0.001550 -0.000351 0.002342 -0.000310 -0.001149 -0.000806 29O 1dx2y2 -0.001046 -0.001326 0.001929 -0.000285 0.000196 -0.001185 29O 1dxy 0.000497 0.003501 -0.000234 -0.000478 -0.001476 -0.001266 29O 2dz2 0.041365 0.025685 0.014748 -0.034693 -0.033363 -0.033258 29O 2dxz -0.041294 -0.018418 -0.020174 0.052157 0.041556 0.040130 29O 2dyz 0.005798 -0.029960 -0.022251 0.042357 0.045798 0.020268 29O 2dx2y2 0.057467 0.060622 -0.045506 0.024263 0.038765 0.062193 29O 2dxy -0.030042 0.046222 0.004385 0.012332 -0.014511 -0.016028 29O 1f0 -0.002105 -0.003453 -0.002340 0.000976 -0.000803 0.001825 29O 1f+1 0.001780 0.000432 -0.001462 -0.001286 -0.000998 -0.001602 29O 1f-1 -0.005161 -0.004948 -0.003755 0.000311 -0.001014 0.001142 29O 1f+2 0.000110 0.002430 0.003737 0.000168 0.000564 -0.001324 29O 1f-2 -0.005010 -0.003325 0.001492 0.001761 0.000890 0.001457 29O 1f+3 0.002950 0.000969 -0.001461 -0.000654 -0.000852 0.000217 29O 1f-3 0.002624 -0.002088 -0.000138 -0.000670 0.000200 0.000281 30O 1s 0.001539 -0.006109 0.005950 -0.000870 0.003870 -0.000627 30O 2s 0.004437 -0.013097 0.011551 -0.002272 0.010574 -0.003268 30O 3s -0.021666 -0.056667 0.087751 -0.005346 -0.038967 0.026457 30O 4s 0.058675 0.742979 -0.869136 0.071496 -0.046669 0.008674 30O 5s -0.071272 0.776273 -1.194430 0.605240 0.890972 -0.214594 30O 1pz -0.029483 0.003809 -0.003742 -0.011795 0.004877 -0.032745 30O 1px -0.036842 0.046930 -0.041426 0.014638 0.056244 0.002545 30O 1py -0.014506 -0.003610 0.012561 0.044450 0.034991 0.004988 30O 2pz 0.023020 -0.207190 0.329333 -0.046249 -0.069662 0.043806 30O 2px 0.001471 0.390227 -0.439818 0.024751 -0.019237 -0.052139 30O 2py 0.040089 0.259754 -0.282516 0.045834 0.062759 0.009398 30O 3pz -0.039004 -0.315397 0.333526 -0.133466 -0.279316 -0.345123 30O 3px 0.074789 0.288386 -0.518989 0.355901 0.435875 0.052138 30O 3py 0.208581 0.164395 -0.603731 0.564839 0.217535 0.182861 30O 1dz2 -0.004011 -0.003037 -0.004537 -0.006918 0.001322 -0.003382 30O 1dxz -0.000156 0.001284 -0.008775 0.003051 0.000308 -0.003097 30O 1dyz -0.000583 0.000986 0.002421 0.001822 0.000654 -0.001389 30O 1dx2y2 -0.002108 -0.009638 0.001027 0.002738 0.002224 0.004750 30O 1dxy -0.000079 -0.003992 0.002705 0.002035 -0.000615 -0.002937 30O 2dz2 -0.171803 -0.108642 -0.096696 -0.303520 -0.008202 -0.037354 30O 2dxz 0.027023 -0.140681 0.018015 0.176060 -0.126714 -0.284893 30O 2dyz 0.009471 0.105116 0.068083 -0.059177 -0.023243 0.057293 30O 2dx2y2 -0.083455 0.000130 -0.137504 0.062431 0.109067 0.094529 30O 2dxy -0.094963 0.200473 -0.332715 0.285140 0.177941 -0.029651 30O 1f0 -0.000776 0.014292 -0.016768 0.003198 -0.001576 -0.003819 30O 1f+1 -0.001403 0.001598 -0.001376 0.003884 -0.000950 -0.004114 30O 1f-1 -0.002202 -0.004446 -0.007903 -0.006288 0.001866 -0.001446 30O 1f+2 0.001004 0.000542 0.002086 -0.003093 -0.002765 0.000567 30O 1f-2 -0.002320 -0.014798 0.013725 -0.002695 0.000726 0.008886 30O 1f+3 0.003674 0.000055 0.000613 -0.002085 -0.002238 -0.003692 30O 1f-3 -0.001027 -0.003490 0.009733 0.001203 -0.000620 -0.002592 31O 1s -0.001530 -0.006097 0.005774 0.001959 -0.003826 0.000715 31O 2s -0.004416 -0.013015 0.011168 0.004380 -0.010472 0.003465 31O 3s 0.021533 -0.057925 0.084652 0.021359 0.039055 -0.026090 31O 4s -0.056472 0.747657 -0.842080 -0.230691 0.042028 -0.013777 31O 5s 0.065536 0.786095 -1.071616 -0.813846 -0.881074 0.191703 31O 1pz -0.030192 -0.003973 0.005939 -0.010716 0.005271 -0.033831 31O 1px -0.036585 -0.046061 0.038922 0.022268 0.055554 0.003458 31O 1py -0.014368 0.004971 -0.020877 0.041238 0.034873 0.005824 31O 2pz 0.022334 0.208621 -0.315789 -0.105329 -0.070245 0.041429 31O 2px 0.000070 -0.393965 0.429512 0.105558 -0.018229 -0.048854 31O 2py 0.039424 -0.261817 0.268413 0.097467 0.062520 0.012078 31O 3pz -0.041399 0.322716 -0.299125 -0.193475 -0.278710 -0.352368 31O 3px 0.076930 -0.288313 0.446417 0.442952 0.434607 0.059725 31O 3py 0.211337 -0.166021 0.495902 0.661115 0.219424 0.185867 31O 1dz2 0.003844 -0.002919 -0.005745 0.006042 -0.001344 0.003321 31O 1dxz 0.000097 0.001282 -0.008137 -0.004543 -0.000344 0.003089 31O 1dyz 0.000609 0.000966 0.002704 -0.001389 -0.000618 0.001317 31O 1dx2y2 0.001898 -0.009794 0.001562 -0.002381 -0.002275 -0.004776 31O 1dxy 0.000046 -0.004022 0.002943 -0.001481 0.000647 0.002921 31O 2dz2 0.166529 -0.104362 -0.150214 0.281539 0.006023 0.036204 31O 2dxz -0.025704 -0.141722 0.046050 -0.169630 0.124895 0.288063 31O 2dyz -0.005223 0.103737 0.056717 0.069287 0.022533 -0.056400 31O 2dx2y2 0.081057 -0.005028 -0.124354 -0.085399 -0.110319 -0.096716 31O 2dxy 0.094400 0.195655 -0.279963 -0.341300 -0.177350 0.026746 31O 1f0 -0.000807 -0.014410 0.015916 0.006268 -0.001530 -0.003636 31O 1f+1 -0.001390 -0.001597 0.000718 0.004123 -0.000977 -0.004066 31O 1f-1 -0.002058 0.004372 0.008898 -0.004921 0.001944 -0.001480 31O 1f+2 0.000978 -0.000519 -0.001530 -0.003426 -0.002786 0.000578 31O 1f-2 -0.002301 0.015062 -0.013038 -0.005248 0.000776 0.008624 31O 1f+3 0.003653 -0.000209 -0.000249 -0.002155 -0.002274 -0.003656 31O 1f-3 -0.001110 0.003603 -0.009746 -0.000480 -0.000652 -0.002677 32O 1s -0.000523 0.000087 0.000271 0.000464 -0.000268 0.000236 32O 2s -0.003252 0.000960 0.001432 0.001852 -0.000909 0.001016 32O 3s 0.053524 -0.023939 -0.020294 -0.019122 0.005230 -0.013099 32O 4s -0.243792 0.072712 0.080633 0.056443 -0.013439 0.042367 32O 5s 0.417112 0.082964 -0.109110 -0.036761 0.015098 -0.022354 32O 1pz -0.003493 -0.003251 -0.008760 -0.001758 -0.009170 -0.009452 32O 1px 0.054481 -0.014242 -0.003238 0.002914 -0.002053 -0.001500 32O 1py 0.044457 -0.039687 0.000489 -0.009007 -0.004295 -0.001632 32O 2pz 0.013487 0.025810 0.048687 -0.009370 -0.012666 0.002511 32O 2px -0.007257 -0.017270 0.011378 -0.016937 -0.010490 -0.010790 32O 2py -0.062102 0.048867 0.014168 0.025450 0.004617 0.017037 32O 3pz -0.126171 0.011048 0.135350 0.029069 0.004911 0.063727 32O 3px 0.213440 0.014122 0.021581 0.014089 0.070288 0.051394 32O 3py 0.056182 0.001060 0.004036 -0.024539 -0.020475 0.007212 32O 1dz2 0.000661 -0.000962 -0.002293 0.000004 -0.000460 0.000108 32O 1dxz 0.001429 0.001843 0.003209 -0.000499 -0.001331 0.000187 32O 1dyz -0.001466 -0.000297 0.002224 0.000705 0.001126 0.000814 32O 1dx2y2 0.001133 -0.001335 0.001843 0.000554 -0.000221 0.001132 32O 1dxy -0.000415 0.003525 -0.000258 0.000353 0.001481 0.001181 32O 2dz2 -0.039187 0.030156 0.007646 0.038434 0.035117 0.032525 32O 2dxz 0.039475 -0.024440 -0.009423 -0.055235 -0.043115 -0.039836 32O 2dyz -0.008844 -0.030110 -0.014665 -0.044442 -0.046013 -0.019442 32O 2dx2y2 -0.057322 0.057515 -0.041612 -0.029609 -0.039920 -0.063095 32O 2dxy 0.028246 0.046989 0.007205 -0.015735 0.014701 0.013258 32O 1f0 -0.001793 0.003174 0.002177 0.001306 -0.000825 0.001486 32O 1f+1 0.002004 -0.000635 0.001558 -0.001110 -0.000945 -0.001548 32O 1f-1 -0.005254 0.005131 0.003857 0.001046 -0.001139 0.000791 32O 1f+2 0.000389 -0.002674 -0.003926 -0.000527 0.000573 -0.001271 32O 1f-2 -0.004863 0.003234 -0.001695 0.001438 0.000772 0.001108 32O 1f+3 0.002796 -0.000915 0.001414 -0.000365 -0.000791 0.000323 32O 1f-3 0.002591 0.002147 0.000316 -0.000709 0.000276 0.000388 33O 1s -0.001389 0.006827 0.006080 -0.002822 -0.000768 0.002053 33O 2s -0.004266 0.013582 0.013006 -0.009551 -0.001517 0.004301 33O 3s 0.029781 0.093794 0.057546 0.065715 -0.021420 -0.000281 33O 4s -0.118197 -0.981563 -0.764353 -0.106730 0.161320 -0.075342 33O 5s -0.054212 -1.200620 -0.785737 -0.976122 0.792834 0.593714 33O 1pz -0.047780 0.018741 0.020443 -0.003411 0.044102 0.019705 33O 1px -0.024337 0.037436 0.031532 0.014732 -0.007509 -0.057120 33O 1py 0.037591 0.021509 0.017272 0.032047 -0.020077 0.025719 33O 2pz -0.048161 -0.399763 -0.323957 -0.118586 0.094747 0.051359 33O 2px 0.030372 0.549737 0.401591 0.144077 -0.099973 0.075393 33O 2py -0.079044 -0.073874 0.012173 -0.031260 0.059879 0.016904 33O 3pz -0.064445 -0.707321 -0.177540 -0.011490 0.703332 0.434797 33O 3px 0.240959 0.604550 0.406391 0.357965 -0.376646 -0.507909 33O 3py -0.125528 -0.104670 -0.261442 0.014654 -0.073266 0.212683 33O 1dz2 0.006626 0.000275 -0.007416 -0.002914 0.000056 -0.002595 33O 1dxz -0.000951 -0.004668 -0.008304 -0.001135 -0.000286 0.001981 33O 1dyz -0.003339 -0.004157 -0.001428 -0.000043 -0.002725 -0.000797 33O 1dx2y2 -0.001984 0.008665 0.000263 0.004635 -0.000122 0.005085 33O 1dxy -0.000706 -0.000830 0.002340 0.003617 0.007035 0.003012 33O 2dz2 0.155822 0.098240 -0.023528 -0.050734 0.096427 -0.061786 33O 2dxz 0.058563 0.298735 0.031028 0.054969 -0.312111 -0.120377 33O 2dyz -0.081144 0.072670 0.135900 -0.026231 -0.128439 -0.075273 33O 2dx2y2 -0.076112 -0.020762 -0.221442 0.050945 -0.072642 0.312865 33O 2dxy 0.027800 0.109812 0.209194 0.032040 0.315567 -0.095498 33O 1f0 0.006865 0.011443 0.000175 0.000149 0.001106 -0.000794 33O 1f+1 -0.000692 0.010953 0.007248 0.005167 0.002816 0.004907 33O 1f-1 -0.001071 -0.009537 -0.008166 0.000083 0.000637 -0.002771 33O 1f+2 0.003106 -0.013390 -0.014399 -0.006424 0.006937 -0.002386 33O 1f-2 0.000896 0.006186 -0.000100 0.006566 -0.000105 0.007196 33O 1f+3 -0.002207 -0.013114 -0.007972 -0.002522 0.004897 -0.000251 33O 1f-3 -0.001114 0.000607 -0.000353 0.000819 -0.004451 0.003890 34O 1s 0.001417 0.005603 -0.007183 0.002604 -0.002932 0.002105 34O 2s -0.001343 0.011202 -0.014301 0.005448 -0.009151 0.003724 34O 3s 0.134801 0.073738 -0.094224 0.021493 0.046639 0.020786 34O 4s -0.681928 -0.807111 0.967605 -0.203436 0.011053 -0.154434 34O 5s -2.747585 -1.004142 1.743376 -0.892481 -0.978897 -0.437058 34O 1pz 0.002537 0.024312 -0.011974 0.021823 0.021307 -0.000048 34O 1px -0.043572 -0.017532 0.032880 -0.011258 -0.025168 0.014445 34O 1py 0.000911 -0.041810 0.036441 0.039476 -0.010934 -0.000133 34O 2pz -0.014147 0.080166 -0.010050 -0.011828 -0.006862 0.003320 34O 2px -0.635869 -0.530313 0.718091 -0.213659 -0.110520 -0.172643 34O 2py 0.158083 0.130769 -0.121658 0.025751 0.057959 0.003018 34O 3pz 0.033865 -0.233142 -0.069627 0.385008 0.080484 -0.027208 34O 3px -1.624113 -0.639404 1.046505 -0.330537 -0.300912 0.098104 34O 3py 0.430767 -0.043283 -0.263250 0.216375 -0.228120 -0.305365 34O 1dz2 -0.003712 0.004500 0.008465 -0.002606 -0.001136 -0.002457 34O 1dxz -0.002621 -0.003429 0.004315 0.005257 -0.002920 -0.008222 34O 1dyz 0.000528 -0.000333 -0.004641 -0.002106 -0.002711 0.000305 34O 1dx2y2 0.002395 0.010955 -0.004878 0.002655 0.003192 0.000518 34O 1dxy -0.003368 -0.000643 -0.000082 0.003860 0.002777 0.000332 34O 2dz2 0.122706 0.188194 -0.033504 -0.088872 0.052248 0.019227 34O 2dxz -0.174124 -0.134158 0.079695 0.374354 -0.024866 -0.317081 34O 2dyz 0.064903 -0.179236 0.082036 0.044315 -0.016030 0.146202 34O 2dx2y2 -0.364505 -0.155396 0.332964 0.061274 0.002969 0.062919 34O 2dxy 0.150814 -0.081636 -0.029776 0.348586 0.065886 -0.080328 34O 1f0 -0.001056 -0.001459 -0.000589 0.001147 -0.002830 0.001189 34O 1f+1 0.017809 0.016033 -0.016718 0.009969 0.004477 0.004870 34O 1f-1 -0.004301 -0.006081 0.000478 -0.006311 -0.002383 -0.001098 34O 1f+2 0.003276 0.007599 -0.006600 -0.001310 -0.002937 -0.002701 34O 1f-2 0.003108 0.002339 -0.008716 -0.000208 0.001382 0.004963 34O 1f+3 0.018997 0.006810 -0.018500 0.006859 0.001796 0.006481 34O 1f-3 -0.011376 -0.005444 0.013395 -0.004728 -0.005024 -0.012044 35O 1s 0.002597 -0.006057 -0.006667 -0.004552 -0.002219 -0.000742 35O 2s 0.004817 -0.011518 -0.014053 -0.011673 -0.004181 0.000624 35O 3s 0.040525 -0.094452 -0.069580 0.021649 -0.027784 -0.050126 35O 4s -0.336736 0.921084 0.844293 0.174943 0.227432 0.181541 35O 5s -1.074960 1.494295 1.164864 -0.301992 0.722035 1.427586 35O 1pz 0.019703 -0.041612 -0.028941 -0.018588 0.024179 -0.022153 35O 1px 0.002219 0.044148 0.043110 -0.030274 0.017109 0.031795 35O 1py 0.016848 -0.004603 -0.027751 0.011700 -0.016265 -0.000836 35O 2pz -0.038307 0.030624 0.061035 -0.033751 0.007742 0.027799 35O 2px -0.283595 0.615238 0.558450 0.088052 0.180067 0.238912 35O 2py -0.088775 0.308763 0.201408 -0.003516 0.088537 0.131497 35O 3pz -0.021302 0.052958 0.010476 -0.068147 0.147189 -0.295429 35O 3px -0.467195 0.781087 0.628763 -0.285383 0.432527 0.375617 35O 3py -0.554822 0.147380 0.353607 -0.113710 -0.178993 0.061396 35O 1dz2 -0.003252 -0.000435 0.010026 0.002230 0.001157 0.000280 35O 1dxz -0.003211 0.000615 0.004352 0.000998 0.005175 0.002788 35O 1dyz -0.000446 0.006825 0.000536 0.000727 0.000578 -0.001394 35O 1dx2y2 0.003587 -0.009375 -0.002438 -0.001643 0.002771 -0.008519 35O 1dxy -0.001120 -0.004513 -0.001972 0.000804 -0.006366 0.000107 35O 2dz2 -0.066904 -0.298457 -0.123723 0.068964 -0.023582 -0.006905 35O 2dxz -0.090886 0.019690 0.111887 -0.065220 0.271082 -0.015272 35O 2dyz -0.004335 -0.063242 -0.145947 0.030907 0.197291 0.044575 35O 2dx2y2 0.041616 0.100124 0.240744 -0.149076 0.286536 -0.149561 35O 2dxy -0.175174 0.100755 0.043805 0.034268 -0.307570 0.203716 35O 1f0 0.005160 -0.005530 0.001250 -0.000514 0.001284 -0.005835 35O 1f+1 0.004949 -0.014601 -0.005583 -0.001394 -0.001039 -0.007169 35O 1f-1 0.003084 -0.002213 0.001218 0.000791 -0.002311 -0.007684 35O 1f+2 -0.001238 -0.006664 0.001722 0.001207 0.005085 0.000047 35O 1f-2 -0.002458 0.008803 0.007075 0.002710 0.003709 0.007467 35O 1f+3 0.005403 -0.005154 -0.008657 -0.000747 -0.001459 -0.001490 35O 1f-3 0.011449 -0.018328 -0.019784 -0.004428 -0.011897 -0.010714 378 379 380 381 382 383 2.01347 2.03076 2.04126 2.04925 2.06664 2.07211 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s 0.000960 -0.003307 -0.001088 0.004588 -0.001810 0.002663 0Rh 2s -0.004910 0.012608 0.003777 -0.020935 0.008000 -0.012943 0Rh 3s 0.002647 -0.011754 -0.004095 0.014211 -0.005770 0.007768 0Rh 4s 0.024486 -0.062234 -0.018587 0.104397 -0.039869 0.064699 0Rh 5s -0.035347 0.061188 0.015138 -0.136309 0.049816 -0.089724 0Rh 6s -0.010550 0.158305 0.061514 -0.113330 0.054625 -0.049233 0Rh 7s 0.059195 -0.523507 -0.194707 0.796840 -0.336977 0.353603 0Rh 8s 0.084578 -0.334134 -0.144391 0.919863 -0.482099 0.466174 0Rh 1pz -0.003446 -0.005498 0.001616 0.001918 0.004175 -0.011155 0Rh 1px 0.002555 0.014668 0.007184 0.016877 -0.001458 0.002507 0Rh 1py -0.008790 0.001987 -0.002050 0.000529 -0.006803 -0.004442 0Rh 2pz 0.012124 0.019165 -0.005441 -0.005813 -0.014413 0.039130 0Rh 2px -0.009174 -0.051464 -0.025076 -0.060399 0.005893 -0.009075 0Rh 2py 0.030823 -0.007008 0.007094 -0.002049 0.024015 0.015165 0Rh 3pz -0.008957 -0.009861 -0.000699 -0.015229 0.004959 -0.023335 0Rh 3px 0.010384 0.032869 0.013256 0.063399 -0.019906 0.011976 0Rh 3py -0.020804 0.004655 -0.002542 0.006033 -0.016853 -0.001060 0Rh 4pz -0.041220 -0.086201 0.034981 0.098911 0.070519 -0.170516 0Rh 4px 0.018107 0.208743 0.112018 0.140711 0.041417 0.008905 0Rh 4py -0.110339 0.031459 -0.035609 -0.014800 -0.098343 -0.093963 0Rh 5pz 0.064470 0.160137 -0.049999 -0.165712 -0.113001 0.313191 0Rh 5px -0.032300 -0.400326 -0.207499 -0.255040 -0.067122 -0.014177 0Rh 5py 0.166591 -0.071179 0.057379 0.033752 0.192290 0.159716 0Rh 6pz 0.156944 -0.305535 0.428443 0.361926 0.288520 -0.146646 0Rh 6px 0.093206 0.570087 0.334050 0.602541 0.038065 0.180936 0Rh 6py -0.128054 -0.078910 0.233707 0.007829 -0.279992 -0.163939 0Rh 1dz2 0.002158 0.005087 -0.005794 -0.003971 0.004397 -0.006710 0Rh 1dxz -0.001804 0.000351 0.005919 -0.012447 0.001086 0.003814 0Rh 1dyz 0.002269 0.005866 -0.005176 -0.001831 -0.002947 0.000710 0Rh 1dx2y2 0.000547 -0.003469 0.000774 0.007539 -0.000504 0.010274 0Rh 1dxy -0.006655 -0.008170 -0.007894 0.004365 0.004078 0.010823 0Rh 2dz2 -0.000446 0.001852 -0.001225 -0.001491 -0.000407 -0.001888 0Rh 2dxz 0.000364 0.002444 -0.000163 -0.001588 0.000166 -0.001628 0Rh 2dyz 0.000022 0.000503 -0.001225 -0.001247 -0.002162 -0.002905 0Rh 2dx2y2 0.000953 -0.002715 -0.002618 0.003059 -0.002713 -0.000804 0Rh 2dxy 0.001308 -0.000320 -0.000007 0.000265 -0.003344 -0.000448 0Rh 3dz2 -0.003503 -0.021350 0.020026 0.017146 -0.009700 0.026028 0Rh 3dxz 0.003170 -0.011866 -0.014667 0.039612 -0.003834 -0.002697 0Rh 3dyz -0.005854 -0.017286 0.018526 0.010357 0.017406 0.011576 0Rh 3dx2y2 -0.005661 0.021150 0.009514 -0.033357 0.013530 -0.023358 0Rh 3dxy 0.011315 0.022532 0.020422 -0.012630 0.004125 -0.025955 0Rh 4dz2 -0.007776 0.026790 -0.009173 -0.023116 -0.005838 -0.030413 0Rh 4dxz 0.004149 0.039533 -0.002515 -0.025679 0.005778 -0.022898 0Rh 4dyz -0.002143 0.003537 -0.009035 -0.019121 -0.033994 -0.051820 0Rh 4dx2y2 0.013399 -0.044922 -0.037825 0.046466 -0.043032 -0.010755 0Rh 4dxy 0.020702 -0.004796 0.003300 0.005369 -0.047150 -0.012350 0Rh 5dz2 0.032563 -0.099267 -0.075259 0.073989 0.016354 0.132317 0Rh 5dxz -0.021350 -0.198478 0.010079 0.101122 -0.028958 0.063685 0Rh 5dyz 0.042843 0.044387 -0.128437 0.069820 0.125780 0.285445 0Rh 5dx2y2 -0.024197 0.242852 0.143606 -0.160399 0.174548 0.059972 0Rh 5dxy -0.064087 0.052648 -0.070873 -0.025047 0.151222 0.107716 0Rh 1f0 0.003436 0.012828 0.061125 -0.051431 -0.056573 0.042350 0Rh 1f+1 -0.004987 -0.018650 -0.003557 -0.016718 0.122607 0.135804 0Rh 1f-1 -0.080419 -0.042253 0.018401 0.021003 -0.023688 0.016908 0Rh 1f+2 -0.037952 -0.083576 -0.066152 -0.056855 -0.114835 -0.017555 0Rh 1f-2 -0.078406 -0.051411 -0.066299 0.061012 0.041849 -0.045593 0Rh 1f+3 -0.000158 -0.091768 -0.006236 0.024706 -0.131540 0.057737 0Rh 1f-3 -0.109547 -0.064836 0.028615 0.075437 0.076534 -0.075868 1Rh 1s 0.000978 -0.003208 -0.000978 -0.004711 0.001606 -0.002729 1Rh 2s -0.004995 0.012163 0.003295 0.021391 -0.007075 0.013211 1Rh 3s 0.002702 -0.011441 -0.003742 -0.014660 0.005133 -0.007994 1Rh 4s 0.024912 -0.060019 -0.016181 -0.106643 0.035273 -0.066021 1Rh 5s -0.035895 0.058392 0.012089 0.138345 -0.044135 0.090972 1Rh 6s -0.011084 0.155456 0.058604 0.119936 -0.047797 0.053161 1Rh 7s 0.063612 -0.502391 -0.176690 -0.818029 0.308749 -0.370275 1Rh 8s 0.087607 -0.320895 -0.115962 -0.926565 0.496770 -0.445631 1Rh 1pz 0.002972 0.005429 -0.001642 0.001998 0.003911 -0.012141 1Rh 1px -0.002725 -0.014958 -0.007706 0.016222 -0.001394 0.002243 1Rh 1py 0.008690 -0.001947 0.001663 0.000650 -0.006666 -0.003687 1Rh 2pz -0.010506 -0.018949 0.005517 -0.006095 -0.013465 0.042646 1Rh 2px 0.009761 0.052499 0.026951 -0.058108 0.005625 -0.008162 1Rh 2py -0.030479 0.006877 -0.005762 -0.002480 0.023515 0.012528 1Rh 3pz 0.008801 0.010223 0.001032 -0.015062 0.003883 -0.026821 1Rh 3px -0.010567 -0.033904 -0.015414 0.062100 -0.018835 0.011745 1Rh 3py 0.020753 -0.004745 0.002203 0.006441 -0.016078 0.000302 1Rh 4pz 0.031488 0.083406 -0.037120 0.100284 0.068615 -0.178958 1Rh 4px -0.021145 -0.211296 -0.115707 0.130727 0.038661 0.003802 1Rh 4py 0.108404 -0.030087 0.028387 -0.013777 -0.098320 -0.081716 1Rh 5pz -0.048183 -0.155386 0.054356 -0.169032 -0.110348 0.325448 1Rh 5px 0.037365 0.404541 0.214591 -0.235827 -0.060289 -0.004733 1Rh 5py -0.163494 0.068375 -0.045015 0.032689 0.192899 0.136845 1Rh 6pz -0.190389 0.287092 -0.438377 0.353938 0.336170 -0.156913 1Rh 6px -0.103476 -0.571120 -0.356806 0.568614 0.012565 0.166317 1Rh 6py 0.125083 0.088813 -0.267555 0.002159 -0.274817 -0.191236 1Rh 1dz2 0.002003 0.004943 -0.006028 0.003770 -0.004417 0.007572 1Rh 1dxz -0.002170 0.000172 0.005481 0.012681 -0.001335 -0.003997 1Rh 1dyz 0.002353 0.005792 -0.005109 0.001708 0.003510 0.008256 1Rh 1dx2y2 0.000348 -0.003294 0.000943 -0.007516 0.000906 -0.009590 1Rh 1dxy -0.006742 -0.008060 -0.007962 -0.004708 -0.003695 -0.007851 1Rh 2dz2 -0.000342 0.001832 -0.001231 0.001523 0.000402 -0.001028 1Rh 2dxz 0.000369 0.002405 -0.000145 0.001644 -0.000109 0.001678 1Rh 2dyz 0.000103 0.000487 -0.001180 0.001267 0.002104 -0.002543 1Rh 2dx2y2 0.001000 -0.002657 -0.002477 -0.003206 0.002433 -0.000581 1Rh 2dxy 0.001341 -0.000319 0.000011 -0.000289 0.003176 -0.001776 1Rh 3dz2 -0.003563 -0.020889 0.020658 -0.016783 0.009769 -0.015094 1Rh 3dxz 0.004099 -0.011225 -0.013595 -0.040474 0.004206 0.002927 1Rh 3dyz -0.006435 -0.017023 0.018155 -0.010139 -0.018577 -0.009756 1Rh 3dx2y2 -0.005358 0.020436 0.008446 0.033953 -0.013314 0.027792 1Rh 3dxy 0.011394 0.022238 0.020510 0.013622 -0.004360 0.028461 1Rh 4dz2 -0.006151 0.026518 -0.009203 0.023966 0.005755 -0.017137 1Rh 4dxz 0.004179 0.038911 -0.002472 0.026586 -0.004503 0.024360 1Rh 4dyz -0.000876 0.003333 -0.008380 0.019714 0.032283 -0.047470 1Rh 4dx2y2 0.014092 -0.044067 -0.035740 -0.048819 0.038537 -0.011313 1Rh 4dxy 0.021244 -0.004695 0.003597 -0.005606 0.044284 -0.027653 1Rh 5dz2 0.025344 -0.099187 -0.075612 -0.081555 -0.013290 0.109408 1Rh 5dxz -0.020596 -0.196135 0.011552 -0.105892 0.021572 -0.078576 1Rh 5dyz 0.037565 0.044306 -0.130742 -0.076877 -0.108391 0.299862 1Rh 5dx2y2 -0.026378 0.240424 0.135839 0.171919 -0.155380 0.046164 1Rh 5dxy -0.066459 0.051443 -0.071303 0.024970 -0.135747 0.123694 1Rh 1f0 -0.003622 -0.013958 -0.058977 -0.054275 -0.057560 -0.025147 1Rh 1f+1 0.006915 0.015844 0.011092 -0.017375 0.123423 0.149841 1Rh 1f-1 0.077284 0.042925 -0.019076 0.021349 -0.020666 0.064407 1Rh 1f+2 0.041342 0.084451 0.067256 -0.052963 -0.119941 0.035246 1Rh 1f-2 0.078821 0.051749 0.062650 0.065874 0.038897 -0.103589 1Rh 1f+3 -0.002070 0.091707 0.005847 0.024523 -0.148328 -0.029394 1Rh 1f-3 0.106780 0.062198 -0.034297 0.079643 0.077686 -0.082924 2C 1s 0.002227 -0.004797 -0.003120 -0.002730 -0.005063 -0.004147 2C 2s 0.006824 -0.015122 -0.008741 -0.010628 -0.019772 -0.015280 2C 3s -0.078766 0.007605 -0.013380 0.077716 0.169434 0.127915 2C 4s 0.210318 0.527620 0.456177 0.020674 -0.171460 -0.142241 2C 5s -0.230220 0.938400 -0.451725 1.003265 -0.824659 -0.357339 2C 1pz -0.014159 0.096362 0.069527 0.078713 0.016003 0.121487 2C 1px 0.072321 -0.032899 0.145805 -0.168677 0.123266 0.089018 2C 1py -0.130025 0.086007 -0.055892 0.045351 0.115134 -0.060985 2C 2pz 0.070019 0.162990 0.142947 -0.035892 -0.035342 -0.298349 2C 2px -0.155605 0.244221 -0.318964 0.253269 -0.318675 -0.309564 2C 2py 0.277685 0.042377 0.377281 -0.070819 -0.251465 0.114340 2C 3pz 0.058402 0.296866 0.063357 0.199966 -0.223051 0.054082 2C 3px 0.030948 -0.017324 -0.056509 -0.069654 -0.111249 0.066293 2C 3py -0.173055 0.257567 -0.067772 0.206721 0.040934 -0.152791 2C 1dz2 -0.003311 -0.027897 -0.014231 -0.022112 -0.010909 -0.018826 2C 1dxz -0.014393 -0.023204 0.034831 0.014243 0.002355 0.027121 2C 1dyz 0.014847 -0.040696 -0.021105 -0.016899 -0.025965 -0.026111 2C 1dx2y2 -0.020678 0.016743 -0.014250 0.008545 -0.013966 -0.013774 2C 1dxy 0.007436 -0.014147 0.003474 0.008884 -0.002115 0.010862 2C 2dz2 0.002908 0.147654 0.036246 0.076134 0.084657 -0.059356 2C 2dxz 0.006567 0.180659 -0.214311 0.087008 -0.103823 -0.252857 2C 2dyz 0.049672 0.209762 0.253790 -0.036973 0.050665 0.085528 2C 2dx2y2 -0.034542 -0.037521 -0.042597 -0.050227 0.075524 -0.043238 2C 2dxy 0.001142 0.130418 -0.036025 0.013707 -0.085570 -0.056579 2C 1f0 -0.030104 0.025445 -0.021760 0.020013 -0.003283 -0.019520 2C 1f+1 0.003025 0.006384 -0.016309 -0.008730 -0.016955 -0.012338 2C 1f-1 0.000123 0.019132 0.035603 0.014833 0.027276 0.020943 2C 1f+2 0.005215 -0.053605 0.013861 -0.016507 -0.003551 -0.002691 2C 1f-2 -0.013265 0.041308 0.034039 0.016962 0.052836 0.034654 2C 1f+3 -0.004613 -0.048573 0.009760 -0.024519 -0.033725 -0.032546 2C 1f-3 -0.007460 0.004243 -0.039279 -0.007527 -0.040984 -0.031625 3C 1s 0.002193 -0.005903 -0.000370 0.001831 0.003901 -0.008776 3C 2s 0.006375 -0.018507 -0.002223 0.006522 0.014283 -0.031617 3C 3s -0.064189 0.034451 0.000614 -0.046851 -0.113681 0.252663 3C 4s 0.155922 0.523097 0.049817 0.029953 0.120889 -0.196764 3C 5s -0.805298 0.295181 0.682672 1.214165 1.250654 -0.481885 3C 1pz -0.186596 0.030328 0.120111 0.092719 0.110567 0.064297 3C 1px 0.004617 0.072521 -0.048781 -0.153170 0.007338 -0.003336 3C 1py -0.033580 -0.131156 0.026926 0.044717 0.153390 -0.180375 3C 2pz 0.463241 0.181697 -0.366447 -0.190776 -0.285015 -0.022351 3C 2px -0.114632 -0.045648 0.160893 0.219449 0.094837 -0.002819 3C 2py 0.093588 -0.123396 -0.122078 -0.162155 -0.391780 0.278478 3C 3pz -0.226231 0.207336 0.142048 0.179442 0.287859 0.085583 3C 3px -0.095703 0.002484 0.088532 0.077259 0.170092 -0.120644 3C 3py 0.044122 -0.179134 -0.105368 -0.193024 -0.103767 0.082201 3C 1dz2 -0.001432 0.010925 0.001565 -0.010057 0.005349 0.012624 3C 1dxz 0.033667 -0.009360 -0.012831 0.009321 -0.031146 -0.001153 3C 1dyz -0.007431 0.045955 -0.005807 -0.006212 -0.034047 0.043607 3C 1dx2y2 0.005020 0.014814 0.033408 0.020145 0.000219 0.017218 3C 1dxy -0.020689 0.016670 0.016009 -0.014340 0.017628 0.000004 3C 2dz2 0.116875 -0.031189 -0.146080 -0.060100 -0.141278 -0.001725 3C 2dxz -0.040042 0.042396 0.007233 0.042101 -0.000772 0.030781 3C 2dyz -0.120121 -0.272851 0.090856 0.131191 0.186849 -0.110452 3C 2dx2y2 0.012680 -0.101871 -0.133031 -0.104875 -0.142069 0.005844 3C 2dxy 0.108232 -0.060037 -0.134759 -0.028313 -0.159707 0.024881 3C 1f0 -0.005322 -0.004528 0.046099 0.013181 0.003525 -0.006064 3C 1f+1 -0.029356 -0.006928 0.039169 0.011011 0.029215 -0.010842 3C 1f-1 -0.015422 0.024170 0.003492 -0.025342 -0.009701 0.042794 3C 1f+2 0.009596 -0.070114 -0.015731 0.011277 0.041155 -0.080326 3C 1f-2 0.014412 -0.036885 -0.035789 0.009441 -0.002989 -0.030706 3C 1f+3 0.007277 0.005507 0.004448 0.004913 -0.013697 -0.006357 3C 1f-3 0.031512 0.017971 -0.025861 -0.014602 -0.040658 0.019768 4C 1s 0.000481 -0.007780 0.006323 0.000378 0.010799 0.006439 4C 2s -0.000046 -0.025437 0.019015 0.003208 0.036254 0.021899 4C 3s 0.028181 0.198226 0.220007 -0.278973 -0.209281 0.121471 4C 4s -0.126063 -0.419444 -2.077734 1.365050 -0.418295 -1.604725 4C 5s 0.162881 -0.337862 -0.369078 -0.115450 -0.292405 -0.484292 4C 1pz -0.006899 -0.055011 -0.123707 -0.070462 -0.054813 -0.057858 4C 1px -0.113211 -0.041118 -0.044454 0.079284 -0.135084 -0.016760 4C 1py 0.120984 -0.081997 -0.016672 -0.043253 -0.108720 0.037225 4C 2pz 0.115114 0.493023 -0.158570 1.011777 -0.387224 -0.254852 4C 2px 0.828047 0.289432 0.462935 -1.871718 0.793757 -0.503869 4C 2py -0.388376 0.516845 -0.144723 0.025636 0.190244 -0.606637 4C 3pz -0.050853 0.245542 -0.672006 0.769731 -1.142418 -0.512381 4C 3px 0.146794 -0.011087 0.289845 -0.537907 0.160965 -0.300624 4C 3py 0.194924 0.087555 -0.238391 0.086323 -0.849140 -0.200668 4C 1dz2 0.003466 -0.029464 0.016618 -0.027689 -0.010183 -0.008820 4C 1dxz 0.008700 -0.007159 -0.012066 0.017430 -0.000777 -0.000526 4C 1dyz 0.006164 -0.034372 -0.001286 -0.005296 -0.010339 -0.021259 4C 1dx2y2 -0.016709 0.007852 0.010977 0.007307 -0.000940 0.003339 4C 1dxy 0.010935 -0.007337 -0.005083 0.014106 0.009908 0.011407 4C 2dz2 -0.040122 -0.235544 -0.214888 0.256634 -0.032945 0.058724 4C 2dxz 0.320189 0.111227 -0.102907 -0.707236 0.068151 -0.187842 4C 2dyz -0.069329 -0.216698 -0.209879 -0.009919 -0.156111 0.034040 4C 2dx2y2 0.209652 0.160446 -0.160617 0.273914 -0.067501 -0.294834 4C 2dxy 0.013782 0.151717 -0.332123 -0.286054 0.109091 -0.528339 4C 1f0 -0.036817 -0.002047 0.006269 -0.014120 0.008297 -0.007687 4C 1f+1 -0.022135 -0.001405 0.028741 0.000173 0.007348 0.007608 4C 1f-1 0.000310 -0.006609 -0.019695 -0.004938 -0.017560 0.000826 4C 1f+2 -0.050563 0.009154 -0.043775 0.059354 0.007480 -0.024836 4C 1f-2 -0.017587 0.006086 -0.002275 -0.012576 -0.008630 0.003914 4C 1f+3 0.027473 -0.014235 -0.001498 0.028574 -0.016565 0.021005 4C 1f-3 -0.006997 -0.004161 0.017198 0.015979 0.001851 0.036642 5C 1s 0.002851 -0.001129 -0.009754 -0.003445 -0.006289 0.006815 5C 2s 0.006930 -0.004514 -0.031220 -0.010516 -0.019707 0.023672 5C 3s 0.080628 0.230368 0.000978 -0.201469 -0.161123 -0.116321 5C 4s -0.655613 -1.382596 1.096712 1.606417 1.765405 -0.498901 5C 5s 0.157907 -0.465374 0.159041 0.323297 0.507624 -0.877009 5C 1pz 0.131010 -0.091837 -0.018485 -0.052748 -0.050575 -0.090358 5C 1px 0.085052 0.008257 0.054700 0.105924 0.047510 0.009867 5C 1py 0.061243 0.131576 -0.037647 -0.020470 -0.070778 0.134033 5C 2pz -0.598473 0.339300 0.341227 0.919167 0.381134 0.351916 5C 2px -0.423555 -0.216214 -0.020368 -1.678280 0.582625 -0.907818 5C 2py -0.173178 -0.362965 -0.467927 -0.665469 -0.284734 -0.163328 5C 3pz -0.137848 -0.262844 0.222886 0.855340 0.550497 -0.880183 5C 3px 0.006937 -0.035115 0.058979 -0.233211 0.602121 -0.869635 5C 3py 0.461032 0.337332 -0.423170 -1.227103 -1.389989 1.297810 5C 1dz2 -0.000713 0.005411 0.022199 -0.016712 0.009456 0.006460 5C 1dxz 0.016306 -0.016747 -0.000017 0.007569 -0.025095 -0.005768 5C 1dyz -0.013841 0.020655 0.010465 0.004864 -0.011733 0.014650 5C 1dx2y2 -0.022305 0.014347 0.005620 0.008169 -0.014467 0.024537 5C 1dxy 0.003431 0.019248 0.023948 -0.013097 0.009638 -0.002620 5C 2dz2 0.175548 0.241890 -0.361989 -0.067682 -0.572519 0.253991 5C 2dxz -0.232524 -0.108562 -0.107665 -0.484939 0.035810 -0.215141 5C 2dyz 0.015457 0.156545 0.003447 -0.351605 0.025501 0.004260 5C 2dx2y2 -0.245227 0.060380 -0.015870 -0.166434 0.245706 -0.038105 5C 2dxy 0.188540 0.327862 -0.012629 0.506625 -0.118159 0.387391 5C 1f0 -0.011188 0.021958 -0.008064 -0.028525 0.011811 0.013910 5C 1f+1 0.001452 0.011974 -0.019797 0.010687 -0.045203 0.027292 5C 1f-1 -0.060381 0.007863 -0.001840 0.000067 0.016023 0.008141 5C 1f+2 0.018798 0.005190 -0.009841 0.020715 -0.019610 0.023196 5C 1f-2 -0.034655 -0.001630 0.011700 0.036010 0.012207 0.018000 5C 1f+3 -0.009996 0.007325 -0.013971 0.015266 -0.012774 0.006749 5C 1f-3 0.004696 -0.012830 0.030981 0.019180 -0.001424 0.003264 6C 1s 0.002842 -0.001396 -0.010033 0.003084 0.006504 -0.008190 6C 2s 0.006952 -0.005344 -0.032179 0.009305 0.020512 -0.028263 6C 3s 0.069298 0.227347 0.010872 0.211203 0.181379 0.208573 6C 4s -0.593123 -1.333469 1.086571 -1.625239 -1.930959 0.023917 6C 5s 0.177407 -0.455010 0.150994 -0.329201 -0.623571 0.054123 6C 1pz -0.130246 0.092611 0.017817 -0.051128 -0.044070 -0.017852 6C 1px -0.081948 -0.008603 -0.058640 0.101073 0.045811 0.022423 6C 1py -0.061863 -0.129015 0.040583 -0.021939 -0.077821 0.059327 6C 2pz 0.589065 -0.359858 -0.358898 0.907300 0.373125 0.089649 6C 2px 0.407380 0.229920 0.087990 -1.660500 0.612338 -0.936430 6C 2py 0.189602 0.380829 0.473088 -0.644019 -0.279229 0.143114 6C 3pz 0.121667 0.241064 -0.255313 0.856346 0.562085 -0.051651 6C 3px -0.017229 0.029901 -0.045289 -0.234204 0.625038 -0.347840 6C 3py -0.438456 -0.299118 0.455354 -1.225611 -1.412983 -0.001109 6C 1dz2 -0.001828 0.005375 0.021210 0.017578 -0.008844 0.005557 6C 1dxz 0.016710 -0.016614 0.000792 -0.007764 0.023475 0.001629 6C 1dyz -0.013463 0.020831 0.010628 -0.004234 0.011471 -0.013127 6C 1dx2y2 -0.022120 0.014668 0.005818 -0.008141 0.017371 -0.006743 6C 1dxy 0.003656 0.019092 0.023459 0.014530 -0.008429 0.014562 6C 2dz2 0.163701 0.230440 -0.352507 0.063697 0.570470 -0.308794 6C 2dxz -0.245778 -0.119831 -0.114773 0.474545 -0.038887 0.100375 6C 2dyz 0.015055 0.153781 -0.005381 0.355212 0.001019 0.266118 6C 2dx2y2 -0.240092 0.061889 -0.028869 0.157814 -0.262638 0.181931 6C 2dxy 0.187484 0.334592 0.000417 -0.496868 0.125784 -0.215535 6C 1f0 0.011447 -0.021092 0.009446 -0.028416 0.010405 -0.005981 6C 1f+1 -0.001463 -0.011464 0.018780 0.011092 -0.047296 0.018991 6C 1f-1 0.060559 -0.008009 0.002233 0.000578 0.016104 -0.000760 6C 1f+2 -0.019637 -0.005590 0.009528 0.020934 -0.018971 0.018157 6C 1f-2 0.034291 0.000867 -0.012041 0.036615 0.014843 0.017084 6C 1f+3 0.010753 -0.007385 0.012493 0.015680 -0.015199 0.005447 6C 1f-3 -0.005278 0.012271 -0.030673 0.018472 0.000969 0.007832 7C 1s 0.000587 -0.007793 0.005874 -0.000271 -0.011277 -0.005061 7C 2s 0.000414 -0.025449 0.017655 -0.002931 -0.037662 -0.017281 7C 3s 0.005222 0.197608 0.209146 0.293775 0.220902 -0.189531 7C 4s -0.017873 -0.420158 -1.962917 -1.472326 0.395622 1.932350 7C 5s 0.188561 -0.337934 -0.357052 0.077337 0.239804 1.238584 7C 1pz 0.011226 0.056639 0.122385 -0.063417 -0.056854 -0.128877 7C 1px 0.110008 0.040427 0.038241 0.081349 -0.135156 -0.039320 7C 1py -0.118756 0.082020 0.017988 -0.041308 -0.114799 -0.036302 7C 2pz -0.142518 -0.504738 0.103625 1.000441 -0.389555 0.088261 7C 2px -0.807858 -0.260846 -0.399453 -1.890585 0.814531 -0.437413 7C 2py 0.376377 -0.514495 0.125258 0.025098 0.210456 -0.329547 7C 3pz 0.024798 -0.241519 0.583902 0.786961 -1.203229 -1.795176 7C 3px -0.147062 0.017930 -0.284063 -0.549726 0.184687 -0.542219 7C 3py -0.206239 -0.082032 0.196552 0.093693 -0.885498 -1.108517 7C 1dz2 0.002912 -0.029508 0.015977 0.027515 0.009973 0.029355 7C 1dxz 0.008301 -0.006767 -0.011711 -0.018344 0.001260 0.009768 7C 1dyz 0.006614 -0.034593 -0.001456 0.004494 0.008207 0.027271 7C 1dx2y2 -0.016533 0.007958 0.011682 -0.006832 0.002041 -0.004129 7C 1dxy 0.010229 -0.007295 -0.005424 -0.014270 -0.009259 -0.011990 7C 2dz2 -0.039320 -0.232343 -0.198503 -0.265992 0.025072 0.076326 7C 2dxz 0.305871 0.097440 -0.123405 0.708896 -0.043432 0.228672 7C 2dyz -0.063076 -0.218057 -0.214872 -0.005967 0.173807 0.288664 7C 2dx2y2 0.225681 0.160615 -0.131365 -0.272463 0.060210 0.118203 7C 2dxy 0.020127 0.146247 -0.328701 0.270745 -0.104329 0.489407 7C 1f0 0.037129 0.002330 -0.006021 -0.014204 0.009351 -0.004300 7C 1f+1 0.023128 0.001411 -0.028406 -0.000773 0.008227 0.014921 7C 1f-1 0.001668 0.006755 0.019509 -0.004036 -0.019198 -0.014974 7C 1f+2 0.048798 -0.010033 0.041448 0.061554 0.008774 -0.019501 7C 1f-2 0.018353 -0.005987 0.002989 -0.012609 -0.008511 0.000400 7C 1f+3 -0.027054 0.013680 0.000634 0.028551 -0.018309 0.012543 7C 1f-3 0.007633 0.004131 -0.016143 0.014803 0.001750 0.046424 8C 1s 0.002180 -0.005817 -0.000293 -0.001930 -0.004363 0.001411 8C 2s 0.006329 -0.018231 -0.001848 -0.006882 -0.015730 0.006784 8C 3s -0.063579 0.031225 -0.002418 0.046525 0.117212 -0.116629 8C 4s 0.156204 0.532096 0.049895 -0.015540 -0.091901 0.364428 8C 5s -0.775937 0.333528 0.713388 -1.195865 -1.205325 0.087992 8C 1pz 0.183141 -0.035047 -0.120453 0.089256 0.101146 -0.033585 8C 1px -0.005953 -0.069241 0.054529 -0.153564 0.006626 -0.038408 8C 1py 0.031684 0.127756 -0.027604 0.045902 0.157086 -0.096693 8C 2pz -0.453983 -0.171199 0.367632 -0.184299 -0.268397 0.081437 8C 2px 0.119589 0.038129 -0.169884 0.217682 0.084442 -0.060106 8C 2py -0.083429 0.135448 0.124623 -0.154813 -0.370437 0.436840 8C 3pz 0.220020 -0.215753 -0.141525 0.172379 0.276565 -0.028103 8C 3px 0.094594 -0.003298 -0.092648 0.075496 0.162624 -0.042437 8C 3py -0.040878 0.186430 0.112236 -0.186403 -0.084869 0.016007 8C 1dz2 -0.001395 0.010730 0.000882 0.010370 -0.004198 -0.007915 8C 1dxz 0.034654 -0.009343 -0.012131 -0.009438 0.030150 -0.008629 8C 1dyz -0.007606 0.045626 -0.006231 0.006736 0.036078 -0.019369 8C 1dx2y2 0.006110 0.015841 0.033268 -0.018276 0.001826 0.000723 8C 1dxy -0.020464 0.016603 0.015757 0.014942 -0.015902 0.018195 8C 2dz2 0.113005 -0.035692 -0.145545 0.053894 0.127146 -0.117108 8C 2dxz -0.042278 0.043136 0.009245 -0.042731 0.002402 -0.011988 8C 2dyz -0.117204 -0.269115 0.093900 -0.135488 -0.192803 0.005055 8C 2dx2y2 0.006900 -0.108163 -0.130980 0.096305 0.128691 -0.110816 8C 2dxy 0.107581 -0.063842 -0.134619 0.025452 0.149763 -0.130260 8C 1f0 0.004578 0.003361 -0.046646 0.011158 0.001788 -0.013961 8C 1f+1 0.029294 0.007127 -0.038624 0.010158 0.028208 -0.018188 8C 1f-1 0.016933 -0.023530 -0.001555 -0.025609 -0.010657 0.024272 8C 1f+2 -0.009352 0.069686 0.014480 0.013046 0.045540 -0.020918 8C 1f-2 -0.014473 0.037804 0.034946 0.011857 0.001178 0.006766 8C 1f+3 -0.008400 -0.005339 -0.005013 0.004526 -0.013807 -0.016308 8C 1f-3 -0.032366 -0.017017 0.026983 -0.014278 -0.039833 0.019646 9C 1s 0.002160 -0.004850 -0.003021 0.002481 0.005043 0.011506 9C 2s 0.006520 -0.015353 -0.008416 0.009880 0.019679 0.040105 9C 3s -0.072818 0.008697 -0.017009 -0.078173 -0.168198 -0.262205 9C 4s 0.192424 0.531913 0.466996 0.011611 0.159771 -0.037682 9C 5s -0.190205 0.935249 -0.356460 -0.986703 0.917378 0.743118 9C 1pz 0.011057 -0.098355 -0.066516 0.074033 0.008606 0.204513 9C 1px -0.071295 0.035057 -0.135630 -0.172711 0.130425 0.084432 9C 1py 0.128344 -0.085918 0.049716 0.045282 0.121357 0.039746 9C 2pz -0.060672 -0.158776 -0.158456 -0.049407 -0.006641 -0.152374 9C 2px 0.153990 -0.246095 0.296038 0.256590 -0.340490 -0.183921 9C 2py -0.271770 -0.047312 -0.364429 -0.085480 -0.261957 0.064828 9C 3pz -0.063636 -0.298339 -0.081544 0.187194 -0.242575 0.036248 9C 3px -0.028817 0.021088 0.056378 -0.067188 -0.125186 -0.087710 9C 3py 0.169290 -0.256344 0.050229 0.201297 0.029903 -0.124446 9C 1dz2 -0.003360 -0.027996 -0.015302 0.020504 0.010146 0.034113 9C 1dxz -0.014598 -0.022489 0.033837 -0.014016 -0.005283 -0.015290 9C 1dyz 0.014675 -0.041357 -0.020677 0.015131 0.025870 0.055294 9C 1dx2y2 -0.020112 0.017032 -0.013106 -0.008957 0.014836 0.006489 9C 1dxy 0.006655 -0.013796 0.003471 -0.008952 0.001228 -0.005239 9C 2dz2 0.001095 0.145633 0.046194 -0.067084 -0.096618 -0.075166 9C 2dxz 0.008022 0.179168 -0.200966 -0.090523 0.117609 0.155772 9C 2dyz 0.044978 0.212831 0.248220 0.051027 -0.053017 -0.211998 9C 2dx2y2 -0.034410 -0.040497 -0.042378 0.047899 -0.084073 0.030285 9C 2dxy 0.001404 0.129827 -0.033327 -0.009218 0.093950 -0.014467 9C 1f0 0.029067 -0.026016 0.021118 0.020703 -0.005109 -0.002754 9C 1f+1 -0.002475 -0.006638 0.016017 -0.008430 -0.018321 -0.011195 9C 1f-1 -0.000001 -0.019074 -0.034343 0.012690 0.028454 0.050907 9C 1f+2 -0.005021 0.055228 -0.011487 -0.016117 -0.001435 -0.041763 9C 1f-2 0.012918 -0.041209 -0.033047 0.014543 0.053111 0.070059 9C 1f+3 0.004254 0.048526 -0.009921 -0.022542 -0.029658 -0.066753 9C 1f-3 0.007609 -0.001731 0.037777 -0.007298 -0.045478 -0.042080 10H 1s -0.022912 0.126294 -0.077046 -0.014446 0.008798 -0.043034 10H 2s 0.154371 -0.317502 0.097935 -0.089066 -0.032135 -0.021651 10H 3s -0.020658 0.115161 0.004810 0.039574 0.024421 -0.031969 10H 1pz 0.058790 0.027892 0.103930 -0.062149 0.045590 0.076160 10H 1px 0.033815 0.024320 0.113208 -0.102947 0.073793 0.068869 10H 1py -0.023685 0.026689 0.008305 -0.065924 0.084924 -0.037290 11H 1s -0.058070 0.075106 0.080748 0.081913 0.117350 0.089211 11H 2s 0.005978 -0.163291 -0.189561 -0.151981 -0.242372 -0.201129 11H 3s 0.102289 -0.093832 0.190125 -0.128772 0.003574 0.218009 11H 1pz -0.110658 0.134663 -0.106243 0.138224 -0.047448 -0.090474 11H 1px 0.022729 -0.015732 0.093979 -0.124960 0.073366 0.026055 11H 1py -0.084349 0.116189 -0.069947 0.062028 0.084145 -0.117428 12H 1s 0.042873 0.083171 0.037028 0.073892 0.106828 0.121721 12H 2s -0.003588 -0.230557 -0.028483 -0.147608 -0.261756 -0.182765 12H 3s 0.003457 -0.004627 0.050021 -0.087646 0.205908 0.053375 12H 1pz 0.078842 0.112156 0.055971 0.061336 -0.074600 0.094316 12H 1px 0.048036 -0.017655 0.159735 -0.140705 0.086534 0.075689 12H 1py -0.014981 0.040575 -0.036967 0.053623 -0.049713 -0.031147 13H 1s -0.087606 0.050758 0.131162 -0.045796 0.088427 0.037672 13H 2s 0.215897 -0.175144 -0.302114 0.044214 -0.044551 -0.207772 13H 3s -0.031318 0.107796 0.059700 -0.044883 -0.014389 0.144467 13H 1pz -0.051741 -0.000380 0.025082 -0.002278 0.090171 -0.051416 13H 1px 0.025986 0.067662 0.001506 -0.121919 0.008646 -0.025193 13H 1py -0.105918 -0.115668 0.057539 0.107663 0.086424 -0.046148 14H 1s 0.043740 0.078919 0.055188 0.034275 -0.118037 0.105677 14H 2s 0.031103 -0.241353 -0.110161 -0.006692 0.184667 -0.238135 14H 3s 0.061696 0.051674 0.020252 -0.082926 -0.054676 -0.017803 14H 1pz -0.068410 -0.038989 0.100139 0.141139 0.061865 -0.007462 14H 1px 0.049880 0.036491 -0.054065 -0.102107 -0.023995 0.002010 14H 1py -0.084155 -0.095328 0.006218 -0.001098 0.148028 -0.075535 15H 1s -0.020188 0.122507 -0.040415 -0.058742 -0.092855 0.170076 15H 2s -0.079146 -0.270983 0.087998 0.115149 0.206769 -0.368376 15H 3s 0.191727 0.018760 -0.187699 -0.191687 -0.275706 0.025213 15H 1pz -0.155327 0.025346 0.137325 0.102030 0.152403 0.026349 15H 1px -0.019251 0.055398 0.005744 -0.095608 0.063716 -0.026279 15H 1py 0.152518 -0.047838 -0.113104 -0.096908 -0.095089 -0.031785 16H 1s 0.021059 0.185499 0.111088 -0.065557 0.015157 -0.064751 16H 2s -0.057765 -0.490467 -0.271307 0.184573 -0.051720 0.126530 16H 3s -0.006781 0.143288 0.155278 -0.140232 0.113162 -0.064311 16H 1pz 0.010648 -0.096652 -0.178268 0.020348 -0.074208 0.030855 16H 1px -0.021279 -0.191026 0.060171 -0.010814 0.096810 0.196128 16H 1py -0.026741 -0.287291 -0.000387 0.076784 0.053240 0.154093 17H 1s 0.031608 0.204315 0.053054 -0.057997 0.030911 -0.040783 17H 2s -0.067129 -0.522956 -0.155839 0.096372 -0.093557 0.198097 17H 3s 0.023572 0.193131 0.002580 -0.111550 0.095619 -0.104142 17H 1pz 0.029193 0.177759 0.025957 -0.060088 -0.024700 -0.000751 17H 1px -0.012238 -0.007407 -0.156093 0.017951 0.073456 -0.043104 17H 1py -0.035401 -0.279057 -0.159231 0.050483 -0.020849 0.032173 18H 1s 0.031659 0.202232 0.053161 0.064000 -0.033695 0.043028 18H 2s -0.069493 -0.518577 -0.161568 -0.108852 0.100468 -0.202423 18H 3s 0.023241 0.190600 0.003321 0.115300 -0.094114 0.135714 18H 1pz -0.028965 -0.181679 -0.031175 -0.065971 -0.024060 -0.009739 18H 1px 0.011963 0.007593 0.151890 0.021133 0.062959 -0.060043 18H 1py 0.035411 0.275476 0.157211 0.057175 -0.031613 0.012830 19H 1s 0.020510 0.183504 0.110512 0.074270 -0.022050 0.055694 19H 2s -0.055027 -0.485036 -0.269315 -0.206260 0.073622 -0.113190 19H 3s -0.007982 0.142293 0.147984 0.148317 -0.127294 0.025473 19H 1pz -0.011373 0.091150 0.176542 0.027994 -0.083718 0.015341 19H 1px 0.024206 0.187079 -0.059545 -0.012230 0.097133 0.194966 19H 1py 0.025462 0.287480 0.000908 0.084379 0.050837 0.161510 20H 1s -0.023260 0.120210 -0.044054 0.058557 0.096232 -0.101308 20H 2s -0.073237 -0.265643 0.096958 -0.116848 -0.209067 0.241760 20H 3s 0.182089 0.010939 -0.190185 0.187423 0.271927 -0.133180 20H 1pz 0.152563 -0.031058 -0.136392 0.097445 0.143642 -0.039744 20H 1px 0.017218 -0.054834 -0.000937 -0.097645 0.060124 -0.071485 20H 1py -0.150630 0.051547 0.114887 -0.094184 -0.086058 0.037657 21H 1s 0.048287 0.080782 0.054749 -0.028843 0.125136 -0.026363 21H 2s 0.022364 -0.243318 -0.108200 -0.002333 -0.201654 0.010106 21H 3s 0.064408 0.050589 0.017998 0.085954 0.056827 0.066577 21H 1pz 0.066254 0.034310 -0.103529 0.138487 0.057462 -0.001831 21H 1px -0.049258 -0.034450 0.058001 -0.102461 -0.022237 0.001348 21H 1py 0.082908 0.094246 -0.004879 0.000576 0.148687 -0.056928 22H 1s -0.088742 0.051470 0.127674 0.050940 -0.079769 0.049708 22H 2s 0.218137 -0.178182 -0.297215 -0.057893 0.018469 -0.037987 22H 3s -0.033428 0.109858 0.055478 0.050321 0.023589 0.013035 22H 1pz 0.050068 -0.001344 -0.024094 -0.002895 0.089439 -0.045222 22H 1px -0.026157 -0.066314 0.003611 -0.124601 0.006835 -0.043892 22H 1py 0.102791 0.111082 -0.060375 0.109189 0.083892 -0.037682 23H 1s 0.041480 0.084541 0.037994 -0.068017 -0.106305 -0.202748 23H 2s -0.001709 -0.232222 -0.030488 0.139068 0.262390 0.410166 23H 3s -0.006943 -0.006437 0.043177 0.088914 -0.216045 -0.073913 23H 1pz -0.078652 -0.114011 -0.054485 0.055584 -0.087870 0.114586 23H 1px -0.046964 0.018322 -0.150384 -0.145988 0.094147 0.081499 23H 1py 0.013366 -0.041628 0.030758 0.052249 -0.053789 -0.028968 24H 1s -0.056915 0.078115 0.077575 -0.079135 -0.118620 -0.158128 24H 2s 0.002362 -0.169892 -0.181803 0.144151 0.240968 0.341668 24H 3s 0.095704 -0.091544 0.175395 0.131249 -0.007483 -0.122779 24H 1pz 0.108382 -0.135286 0.096706 0.139177 -0.054728 -0.029022 24H 1px -0.022223 0.018009 -0.089076 -0.127882 0.080792 0.040823 24H 1py 0.083455 -0.116866 0.060849 0.061271 0.088152 -0.033318 25H 1s -0.020870 0.125898 -0.073839 0.015594 0.001027 -0.037493 25H 2s 0.149862 -0.320361 0.090909 0.083417 0.011103 0.239998 25H 3s -0.020164 0.117900 0.006808 -0.035686 -0.024775 -0.133919 25H 1pz -0.058394 -0.026891 -0.097667 -0.067071 0.047122 0.073074 25H 1px -0.032864 -0.023701 -0.107242 -0.107531 0.077940 0.085446 25H 1py 0.025215 -0.026365 -0.009909 -0.066110 0.092117 -0.022289 26O 1s 0.000801 0.006161 -0.000775 -0.002702 0.003883 -0.004965 26O 2s 0.001009 0.016423 -0.002860 -0.005564 0.007640 -0.013675 26O 3s 0.027396 -0.027578 0.016756 -0.031570 0.039523 0.020789 26O 4s -0.193166 -0.324272 -0.094898 0.345969 -0.477580 0.242511 26O 5s -0.466309 0.090321 0.995258 0.698367 0.648418 1.301203 26O 1pz -0.037067 -0.020303 0.033684 0.033971 0.060608 0.048976 26O 1px -0.003809 0.018677 -0.092021 -0.031072 -0.073542 -0.083701 26O 1py 0.018493 0.003167 -0.004085 0.017963 -0.015509 -0.002162 26O 2pz 0.034551 -0.003967 -0.036449 0.005243 -0.072328 -0.068617 26O 2px 0.148287 0.146384 -0.056608 -0.203866 0.193776 -0.221546 26O 2py 0.040895 0.059775 -0.060195 -0.077938 0.057057 -0.130181 26O 3pz -0.148363 0.216376 0.426931 -0.279837 0.438577 -0.125575 26O 3px 0.023218 0.038153 -0.258084 -0.520105 -0.112984 -0.901924 26O 3py 0.401555 0.115825 0.255065 -0.345217 0.083495 -0.262337 26O 1dz2 -0.003276 0.000077 0.001565 -0.001025 0.003797 0.000417 26O 1dxz 0.000122 -0.000010 0.003004 -0.000771 0.001233 0.000698 26O 1dyz 0.001298 0.000861 0.002367 -0.003588 0.002235 0.003627 26O 1dx2y2 0.003276 0.001987 -0.001341 0.000540 0.001200 -0.001723 26O 1dxy -0.003297 0.002865 0.001814 -0.000405 0.001914 -0.000610 26O 2dz2 0.023828 0.135204 0.022256 -0.210780 -0.024289 -0.149768 26O 2dxz 0.124236 -0.037710 -0.111291 0.026773 -0.139621 -0.017827 26O 2dyz 0.116959 0.142463 0.015582 -0.158480 0.012609 -0.067927 26O 2dx2y2 0.215229 -0.070552 0.245945 0.111606 0.108683 0.331209 26O 2dxy -0.323902 -0.024621 0.089057 0.088412 0.134724 0.147589 26O 1f0 -0.003401 0.001302 0.000565 -0.002338 -0.003758 0.001742 26O 1f+1 -0.001225 -0.004299 0.001041 0.003990 -0.010572 0.005876 26O 1f-1 0.000637 -0.000794 0.001960 -0.001010 -0.003137 0.000300 26O 1f+2 -0.000642 -0.002709 0.000150 0.000662 -0.000557 0.003481 26O 1f-2 0.000892 0.000321 -0.005472 0.001134 0.004339 -0.004922 26O 1f+3 -0.001825 -0.003236 -0.002250 0.004006 -0.001188 0.001691 26O 1f-3 -0.005233 -0.004653 -0.000188 0.006401 -0.010095 0.001604 27O 1s -0.005120 0.002521 0.001486 -0.004189 0.002652 0.001291 27O 2s -0.013452 0.007029 0.005185 -0.008266 0.007591 0.003797 27O 3s 0.020007 -0.027174 -0.026747 -0.048795 -0.009603 -0.020315 27O 4s 0.242675 -0.098372 0.065995 0.556929 -0.114764 -0.104510 27O 5s 0.437304 1.241760 -0.735746 -0.069868 -1.722133 2.189606 27O 1pz 0.027263 0.014705 -0.024004 0.012165 -0.019921 0.079039 27O 1px -0.033742 -0.040612 0.071559 0.028383 0.103218 -0.086893 27O 1py 0.007734 -0.022700 0.017415 0.015071 0.017177 -0.048111 27O 2pz 0.004805 -0.011389 0.022912 0.059563 0.019796 -0.051228 27O 2px -0.185862 -0.111324 0.028584 -0.255544 0.182696 -0.132297 27O 2py 0.009597 0.063865 -0.030062 -0.024761 -0.087074 0.072117 27O 3pz 0.342990 0.290682 -0.071734 -0.241048 -0.245522 0.320294 27O 3px -0.104918 -0.311842 0.494598 -0.299970 1.057481 -0.806321 27O 3py 0.088040 -0.406152 0.021238 0.410971 -0.196985 -0.220695 27O 1dz2 0.002843 -0.002072 0.001918 0.001006 -0.001810 0.000618 27O 1dxz -0.001661 0.003553 0.000034 -0.001291 0.002643 0.001366 27O 1dyz -0.000223 -0.002609 0.000313 0.004504 0.002201 -0.000026 27O 1dx2y2 -0.002762 -0.003201 -0.000830 0.001878 -0.001069 0.000058 27O 1dxy -0.003184 -0.002626 -0.001559 0.001449 -0.001767 0.001005 27O 2dz2 0.018416 -0.144975 0.249846 0.045455 0.243382 -0.184753 27O 2dxz -0.343683 -0.004887 0.049319 -0.008599 0.208476 -0.080670 27O 2dyz 0.093090 -0.151334 0.029621 0.210207 -0.048289 -0.025620 27O 2dx2y2 0.021366 0.038484 -0.212380 0.094085 -0.303385 0.257817 27O 2dxy -0.106917 0.036413 -0.077765 -0.062736 0.016189 0.026356 27O 1f0 0.000439 0.001526 0.000203 -0.001147 0.000934 -0.000635 27O 1f+1 0.003320 0.001063 0.003442 0.008472 0.003904 -0.000679 27O 1f-1 -0.004520 -0.002608 -0.000759 -0.000131 -0.001568 -0.000062 27O 1f+2 0.002364 -0.001409 -0.001318 0.003630 -0.005150 0.002589 27O 1f-2 0.002431 0.002089 -0.001496 -0.000220 -0.001508 0.001180 27O 1f+3 0.006172 -0.000887 -0.002627 0.007591 -0.006438 0.002361 27O 1f-3 -0.002744 -0.004045 -0.001695 -0.002772 0.002777 -0.002864 28O 1s -0.004548 0.004229 -0.000102 0.008135 -0.000675 0.000882 28O 2s -0.011032 0.012155 -0.000685 0.018454 -0.001352 0.000588 28O 3s -0.000093 -0.047295 0.003339 0.048009 -0.005068 0.030136 28O 4s 0.290067 -0.032413 -0.179659 -0.744778 -0.056985 -0.264561 28O 5s 0.164305 0.332809 1.672194 -1.843955 1.605442 0.746801 28O 1pz -0.006054 0.013564 -0.030994 0.053434 -0.038824 -0.004211 28O 1px 0.008378 -0.005700 0.089704 -0.044858 0.074006 0.064171 28O 1py -0.008374 0.004530 -0.010752 0.015028 0.043214 -0.025249 28O 2pz -0.077957 -0.027466 -0.082571 0.306808 -0.102151 -0.062978 28O 2px 0.152134 0.038856 0.016517 -0.421075 0.063379 -0.075718 28O 2py -0.017063 -0.002287 -0.038051 0.032813 -0.071083 -0.050511 28O 3pz -0.251522 0.310102 -0.357358 1.115909 -0.267464 -0.074228 28O 3px 0.015174 0.055633 0.805440 -0.968595 0.555840 0.334256 28O 3py 0.065987 0.220463 -0.042577 0.330055 0.185137 -0.007546 28O 1dz2 -0.002315 0.004280 -0.002629 0.006801 -0.001469 -0.000725 28O 1dxz -0.001372 -0.000460 -0.001646 -0.000750 0.000599 -0.000606 28O 1dyz -0.000830 0.004794 -0.001931 0.005071 -0.002795 0.005011 28O 1dx2y2 -0.004975 -0.003308 0.002082 -0.000715 -0.000841 -0.000931 28O 1dxy 0.002367 -0.000594 -0.000123 -0.000282 -0.002011 -0.001157 28O 2dz2 -0.031420 0.019444 -0.024450 0.037976 0.009002 -0.061354 28O 2dxz -0.165550 0.098453 -0.229665 0.384586 -0.216714 -0.118164 28O 2dyz -0.116416 0.092907 0.145396 0.096592 -0.044757 0.158800 28O 2dx2y2 -0.128647 -0.069306 0.291025 -0.205620 0.138838 0.133753 28O 2dxy 0.130650 0.064210 -0.007037 0.115043 -0.002837 -0.052765 28O 1f0 0.000670 -0.001163 0.001189 -0.010572 0.002226 -0.000826 28O 1f+1 0.002492 0.003407 0.002449 -0.007765 0.004000 0.001422 28O 1f-1 -0.003681 0.000217 -0.001133 0.003420 -0.003868 -0.004296 28O 1f+2 -0.008041 0.001933 -0.004342 0.016246 -0.003163 0.001398 28O 1f-2 0.002135 0.002467 0.000427 -0.001386 0.001990 0.001086 28O 1f+3 -0.003885 0.001717 -0.000670 0.009832 -0.000958 0.002393 28O 1f-3 0.002302 -0.000015 0.001168 -0.001035 0.000326 0.000341 29O 1s 0.000473 0.002534 0.001030 0.000454 -0.001874 -0.000437 29O 2s 0.002001 0.013561 0.005474 0.000147 -0.004759 -0.002558 29O 3s -0.022408 -0.219880 -0.087621 0.032465 -0.004415 0.047581 29O 4s 0.068802 0.806279 0.320903 -0.135771 0.115569 -0.148395 29O 5s -0.017059 -0.376768 -0.144059 -0.190840 -0.034193 -0.145876 29O 1pz -0.002064 -0.005922 0.012391 -0.014582 -0.003769 -0.008476 29O 1px 0.003107 0.045631 0.020594 0.036634 -0.017056 -0.009280 29O 1py 0.021960 0.156625 0.056280 -0.009675 0.002098 -0.027733 29O 2pz 0.013481 -0.042407 -0.141228 0.029439 -0.003781 0.067473 29O 2px 0.015198 0.144114 0.007888 -0.053139 0.026709 -0.030666 29O 2py -0.039577 -0.351854 -0.127180 0.071454 -0.039555 0.080789 29O 3pz -0.037930 -0.093581 0.038326 0.008077 0.027584 -0.127007 29O 3px 0.017368 0.223131 0.099751 0.057347 -0.067194 -0.048055 29O 3py 0.039702 0.213898 0.043311 -0.090486 -0.028304 -0.031008 29O 1dz2 0.001036 -0.001670 -0.000774 -0.000047 -0.001178 -0.000430 29O 1dxz 0.000010 -0.001551 0.000369 -0.001797 -0.000227 0.000254 29O 1dyz 0.000238 0.000762 -0.002204 -0.001062 -0.001541 -0.000127 29O 1dx2y2 -0.001458 -0.000778 0.000364 0.002337 -0.000891 0.000969 29O 1dxy -0.000468 0.001311 -0.001010 0.000525 0.002014 0.000182 29O 2dz2 0.011847 0.089965 -0.085976 -0.015759 -0.011198 -0.090883 29O 2dxz -0.023257 -0.122165 0.164477 -0.015247 0.109704 0.180491 29O 2dyz 0.007018 -0.038695 0.145782 -0.020876 0.010122 0.129069 29O 2dx2y2 0.035510 0.218469 0.151326 -0.026118 -0.096431 -0.047391 29O 2dxy -0.032172 -0.092480 0.007551 0.012806 0.093346 0.073633 29O 1f0 -0.001473 -0.022022 -0.011991 0.006758 -0.005648 0.006587 29O 1f+1 0.001497 0.007988 0.001610 -0.002553 0.002111 -0.001742 29O 1f-1 -0.002202 -0.030992 -0.017893 0.008953 -0.003517 0.011512 29O 1f+2 0.000311 0.006612 0.004109 -0.003310 0.003090 -0.001639 29O 1f-2 -0.002968 -0.022983 -0.000137 0.005016 -0.004353 0.003133 29O 1f+3 0.001775 0.008258 0.000441 -0.002836 0.001807 -0.001611 29O 1f-3 0.002293 0.010570 0.000408 -0.002451 -0.000195 -0.001481 30O 1s -0.000266 0.005431 0.004872 0.007294 0.000287 0.006813 30O 2s -0.001346 0.014237 0.013320 0.017159 0.001518 0.015815 30O 3s 0.021957 -0.022420 -0.032168 0.026606 -0.024923 0.023456 30O 4s -0.177995 -0.357662 -0.069132 -0.521900 0.248867 -0.689009 30O 5s 0.307447 0.843510 -0.796485 -2.427828 -1.329041 0.952999 30O 1pz -0.034386 -0.030636 0.042203 0.047333 0.062255 -0.001708 30O 1px 0.012444 0.036686 -0.065310 -0.092604 -0.056180 0.080942 30O 1py 0.031848 0.020557 -0.012865 -0.024776 0.007702 -0.023371 30O 2pz 0.009883 0.051748 0.055491 0.229543 0.025116 0.088960 30O 2px -0.073201 -0.109659 -0.066201 -0.320984 0.037406 -0.250068 30O 2py -0.042821 -0.034232 -0.083342 -0.260611 -0.075642 -0.044990 30O 3pz 0.050143 0.015942 0.330734 0.752187 0.131992 0.247027 30O 3px 0.210000 0.362982 -0.198604 -1.042906 -0.472636 0.324496 30O 3py 0.189228 -0.249485 -0.043544 -0.838334 0.129453 -0.656328 30O 1dz2 0.001434 -0.000309 -0.001187 -0.001071 -0.004662 -0.001100 30O 1dxz 0.002580 -0.002429 0.002160 -0.000547 -0.000681 -0.000755 30O 1dyz 0.001206 -0.002386 -0.003365 -0.005721 0.001596 -0.003412 30O 1dx2y2 0.006783 0.000408 0.000336 -0.002753 0.000336 -0.003184 30O 1dxy 0.003727 0.001937 -0.000306 -0.000066 0.001610 -0.000951 30O 2dz2 -0.083502 -0.087372 -0.023975 0.060583 -0.063909 -0.085041 30O 2dxz 0.105960 -0.073860 0.319657 0.342767 0.155668 -0.084915 30O 2dyz -0.081429 -0.147514 0.031527 0.073683 0.195268 -0.109914 30O 2dx2y2 0.112931 0.044126 -0.070273 -0.152231 -0.066969 0.054915 30O 2dxy 0.127938 -0.107829 -0.078655 -0.331429 0.065143 -0.159965 30O 1f0 -0.001684 -0.004664 -0.003709 -0.010305 -0.000308 -0.005896 30O 1f+1 0.002426 -0.000174 -0.000275 -0.000104 -0.000616 -0.001892 30O 1f-1 -0.001728 0.000277 -0.000603 -0.000469 -0.002148 -0.002263 30O 1f+2 -0.001348 0.002777 -0.001489 0.002749 -0.003919 0.005341 30O 1f-2 -0.001674 0.002237 0.006547 0.012829 0.004292 0.008205 30O 1f+3 -0.001517 0.003230 -0.000933 0.000216 -0.001335 0.001565 30O 1f-3 0.000030 0.002097 0.003233 0.011140 0.000238 0.006335 31O 1s -0.000181 0.005608 0.004918 -0.006978 0.000115 -0.001587 31O 2s -0.001110 0.014679 0.013399 -0.016314 -0.000454 -0.001963 31O 3s 0.021593 -0.022547 -0.031172 -0.028296 0.021976 -0.047821 31O 4s -0.181461 -0.365820 -0.074000 0.508333 -0.268885 0.344741 31O 5s 0.279168 0.795457 -0.867458 2.429146 1.441723 0.270601 31O 1pz 0.032163 0.028349 -0.043229 0.047443 0.061659 -0.017579 31O 1px -0.011507 -0.034181 0.068963 -0.091277 -0.061401 0.026270 31O 1py -0.031758 -0.019507 0.013129 -0.025329 0.009129 -0.000850 31O 2pz -0.010898 -0.055160 -0.059369 0.226205 0.027478 0.075823 31O 2px 0.075321 0.114011 0.070925 -0.314925 0.040566 -0.176956 31O 2py 0.045807 0.038811 0.088754 -0.256785 -0.080226 -0.045106 31O 3pz -0.060239 -0.033882 -0.346352 0.742923 0.131149 0.002197 31O 3px -0.195168 -0.341349 0.226846 -1.049859 -0.520460 -0.131503 31O 3py -0.174078 0.267216 0.061725 -0.835629 0.132226 -0.250573 31O 1dz2 0.001534 -0.000373 -0.001177 0.001012 0.004510 0.000505 31O 1dxz 0.002588 -0.002408 0.002133 0.000572 0.000808 0.001030 31O 1dyz 0.001137 -0.002491 -0.003590 0.005605 -0.001889 0.001885 31O 1dx2y2 0.006737 0.000261 0.000297 0.002865 -0.000365 0.003016 31O 1dxy 0.003785 0.001968 -0.000350 0.000138 -0.001536 0.001900 31O 2dz2 -0.080024 -0.087065 -0.021826 -0.063646 0.051982 -0.033939 31O 2dxz 0.113633 -0.062403 0.328810 -0.332688 -0.152552 0.136205 31O 2dyz -0.080834 -0.144043 0.030578 -0.078027 -0.213061 0.002834 31O 2dx2y2 0.111434 0.039567 -0.074306 0.151707 0.071520 0.014690 31O 2dxy 0.126570 -0.114031 -0.090655 0.328517 -0.057985 0.093133 31O 1f0 0.001680 0.004771 0.003880 -0.010036 -0.000267 -0.004081 31O 1f+1 -0.002511 0.000155 0.000204 -0.000168 -0.000593 -0.001754 31O 1f-1 0.001644 -0.000236 0.000488 -0.000382 -0.002015 -0.001782 31O 1f+2 0.001361 -0.002754 0.001385 0.002841 -0.003907 0.004644 31O 1f-2 0.001599 -0.002395 -0.006680 0.012591 0.004154 0.005578 31O 1f+3 0.001499 -0.003269 0.000897 0.000191 -0.001506 -0.000210 31O 1f-3 -0.000214 -0.002319 -0.003380 0.010937 0.000077 0.005289 32O 1s 0.000472 0.002543 0.001119 -0.000342 0.001815 0.000417 32O 2s 0.001987 0.013549 0.005740 0.000424 0.004492 0.002440 32O 3s -0.022053 -0.218646 -0.088730 -0.041226 0.007913 -0.045489 32O 4s 0.067492 0.800412 0.321491 0.168152 -0.123465 0.141446 32O 5s -0.016464 -0.375918 -0.149187 0.169604 0.014710 0.142894 32O 1pz 0.003139 0.009399 -0.011064 -0.014556 -0.002459 -0.011654 32O 1px -0.003377 -0.044992 -0.021758 0.035440 -0.017671 -0.011941 32O 1py -0.021980 -0.156008 -0.056228 -0.015019 0.005037 -0.024405 32O 2pz -0.015819 0.033699 0.135654 0.035117 -0.011731 0.057660 32O 2px -0.014966 -0.145485 -0.009436 -0.056866 0.028337 -0.030806 32O 2py 0.038602 0.348802 0.129828 0.084198 -0.045886 0.077899 32O 3pz 0.038307 0.095294 -0.036346 0.012801 0.032052 -0.096561 32O 3px -0.019675 -0.220636 -0.103024 0.050432 -0.070869 -0.038275 32O 3py -0.037714 -0.211678 -0.039303 -0.095649 -0.026790 -0.028693 32O 1dz2 0.001066 -0.001750 -0.000455 -0.000085 0.001074 0.000611 32O 1dxz 0.000012 -0.001650 0.000306 0.001738 0.000059 -0.000513 32O 1dyz 0.000233 0.000609 -0.002214 0.000959 0.001672 -0.000093 32O 1dx2y2 -0.001494 -0.000830 0.000599 -0.002306 0.001045 -0.000893 32O 1dxy -0.000487 0.001288 -0.000968 -0.000487 -0.001867 -0.000331 32O 2dz2 0.011180 0.088820 -0.089838 0.013675 0.013748 0.100797 32O 2dxz -0.023495 -0.117718 0.161339 0.018356 -0.112719 -0.192153 32O 2dyz 0.007416 -0.030229 0.144589 0.025419 -0.017956 -0.144952 32O 2dx2y2 0.035562 0.220879 0.145625 0.031786 0.085390 0.033861 32O 2dxy -0.033242 -0.090118 0.010466 -0.011470 -0.095173 -0.084391 32O 1f0 0.001291 0.019969 0.010963 0.007087 -0.005933 0.005164 32O 1f+1 -0.001606 -0.009230 -0.002059 -0.003228 0.002443 -0.002115 32O 1f-1 0.002206 0.031714 0.018187 0.010626 -0.004750 0.010343 32O 1f+2 -0.000430 -0.008155 -0.004595 -0.004183 0.003480 -0.002025 32O 1f-2 0.002951 0.022408 0.000062 0.005293 -0.004147 0.004252 32O 1f+3 -0.001661 -0.007395 -0.000361 -0.002821 0.001740 -0.001708 32O 1f-3 -0.002294 -0.010310 -0.000374 -0.002524 -0.000233 -0.002212 33O 1s -0.004389 0.004392 0.000241 -0.008020 0.000789 -0.005046 33O 2s -0.010709 0.012522 0.000145 -0.018146 0.001675 -0.011613 33O 3s 0.001729 -0.046388 0.003932 -0.049011 0.003206 -0.011885 33O 4s 0.273988 -0.048656 -0.197954 0.734687 0.067625 0.556070 33O 5s 0.102937 0.328002 1.539837 1.923400 -1.618396 -1.878418 33O 1pz 0.004143 -0.013997 0.027942 0.053622 -0.042605 0.019163 33O 1px -0.007756 0.005697 -0.084006 -0.048669 0.076057 0.103420 33O 1py 0.008724 -0.005281 0.009422 0.015985 0.043773 0.016432 33O 2pz 0.068805 0.023046 0.067847 0.309808 -0.096982 -0.067236 33O 2px -0.140406 -0.032002 -0.001777 -0.421853 0.057860 -0.119129 33O 2py 0.014663 0.002624 0.034961 0.034771 -0.070476 -0.073820 33O 3pz 0.228726 -0.323115 0.309864 1.122405 -0.275128 0.321010 33O 3px 0.011597 -0.048966 -0.742841 -1.005152 0.558006 0.615908 33O 3py -0.069460 -0.227580 0.035560 0.326627 0.184984 0.408738 33O 1dz2 -0.002182 0.004307 -0.002209 -0.006815 0.001721 -0.000709 33O 1dxz -0.001444 -0.000462 -0.001719 0.000668 -0.000330 0.001449 33O 1dyz -0.000845 0.004891 -0.001854 -0.005038 0.003329 -0.006289 33O 1dx2y2 -0.004884 -0.003345 0.002140 0.000725 0.000607 0.002179 33O 1dxy 0.002377 -0.000623 -0.000006 0.000326 0.002057 0.000678 33O 2dz2 -0.032508 0.019726 -0.020476 -0.040674 -0.009157 0.061692 33O 2dxz -0.158923 0.103451 -0.209730 -0.392396 0.226429 0.095449 33O 2dyz -0.121184 0.095127 0.141442 -0.086473 0.049276 -0.241978 33O 2dx2y2 -0.131170 -0.070232 0.273972 0.213926 -0.145641 -0.154979 33O 2dxy 0.130363 0.065693 0.002263 -0.112542 -0.000693 -0.103597 33O 1f0 -0.000356 0.001246 -0.000711 -0.010520 0.002370 -0.001898 33O 1f+1 -0.002087 -0.003303 -0.002007 -0.007815 0.004191 0.002478 33O 1f-1 0.003533 -0.000313 0.000868 0.003459 -0.003782 -0.004165 33O 1f+2 0.007532 -0.002137 0.003692 0.016356 -0.003080 0.003528 33O 1f-2 -0.001892 -0.002441 -0.000345 -0.001481 0.001905 0.000982 33O 1f+3 0.003646 -0.001893 0.000461 0.009870 -0.000994 0.003320 33O 1f-3 -0.002233 0.000061 -0.001251 -0.001181 0.000359 0.000892 34O 1s -0.005040 0.002510 0.001222 0.004198 -0.002487 0.002749 34O 2s -0.013283 0.007034 0.004591 0.008354 -0.007122 0.007059 34O 3s 0.020652 -0.027805 -0.028491 0.047315 0.007032 0.000484 34O 4s 0.237340 -0.092851 0.093285 -0.550303 0.106543 -0.198770 34O 5s 0.391091 1.212839 -0.712688 0.089055 1.868796 -0.891610 34O 1pz -0.028336 -0.014755 0.024735 0.012024 -0.023602 0.047457 34O 1px 0.032030 0.038798 -0.072133 0.026707 0.105486 -0.062975 34O 1py -0.007990 0.022501 -0.018054 0.014984 0.020521 0.000887 34O 2pz -0.005052 0.010134 -0.025719 0.059329 0.022981 -0.028487 34O 2px 0.178405 0.111378 -0.013035 -0.248213 0.193932 -0.159565 34O 2py -0.007443 -0.062361 0.028563 -0.026178 -0.094296 0.033252 34O 3pz -0.339403 -0.284428 0.084510 -0.251650 -0.271689 -0.030093 34O 3px 0.083409 0.299820 -0.460292 -0.301013 1.114748 -0.688184 34O 3py -0.087131 0.400909 -0.043678 0.416402 -0.195676 0.248706 34O 1dz2 0.002769 -0.002104 0.001920 -0.000890 0.001950 -0.000225 34O 1dxz -0.001751 0.003467 -0.000091 0.001333 -0.002682 -0.001226 34O 1dyz -0.000214 -0.002470 0.000370 -0.004622 -0.002483 -0.000759 34O 1dx2y2 -0.002727 -0.003151 -0.000801 -0.002077 0.001031 -0.000064 34O 1dxy -0.003288 -0.002630 -0.001480 -0.001610 0.001641 -0.002059 34O 2dz2 0.022366 -0.139718 0.245866 -0.038926 -0.246524 0.176178 34O 2dxz -0.349802 -0.005946 0.048993 0.004553 -0.216491 0.030184 34O 2dyz 0.097170 -0.146688 0.034353 -0.211821 0.035535 -0.138351 34O 2dx2y2 0.015756 0.036096 -0.206642 -0.100194 0.315375 -0.255102 34O 2dxy -0.108365 0.035452 -0.081390 0.058531 -0.030855 -0.018661 34O 1f0 -0.000439 -0.001510 -0.000182 -0.001202 0.000826 -0.001099 34O 1f+1 -0.003122 -0.001217 -0.003892 0.008183 0.003459 -0.001594 34O 1f-1 0.004407 0.002617 0.000787 -0.000022 -0.001574 0.000077 34O 1f+2 -0.002335 0.001429 0.001059 0.003628 -0.005252 0.003186 34O 1f-2 -0.002372 -0.002006 0.001497 -0.000322 -0.001602 0.002430 34O 1f+3 -0.005896 0.000884 0.002154 0.007552 -0.006513 0.004511 34O 1f-3 0.002494 0.003967 0.001938 -0.002549 0.003027 -0.001433 35O 1s 0.000898 0.006098 -0.000808 0.002812 -0.003807 0.000022 35O 2s 0.001272 0.016277 -0.002855 0.005844 -0.007403 0.000588 35O 3s 0.027205 -0.027823 0.014917 0.031048 -0.041022 -0.001112 35O 4s -0.198294 -0.319605 -0.081452 -0.355484 0.478521 0.122471 35O 5s -0.491474 0.115439 0.954968 -0.642730 -0.634319 -2.469799 35O 1pz 0.036103 0.019045 -0.033069 0.033485 0.063491 0.096584 35O 1px 0.002958 -0.017216 0.088609 -0.027471 -0.076863 -0.113000 35O 1py -0.019766 -0.002793 0.001158 0.016944 -0.016977 0.007524 35O 2pz -0.035909 0.004731 0.033253 0.007156 -0.072283 -0.103282 35O 2px -0.152461 -0.142144 0.060601 -0.202945 0.194434 -0.143435 35O 2py -0.042527 -0.057910 0.060759 -0.075345 0.058912 -0.111863 35O 3pz 0.145511 -0.216869 -0.412609 -0.298703 0.470255 0.376510 35O 3px -0.044243 -0.026303 0.242124 -0.501047 -0.089614 -1.060747 35O 3py -0.415428 -0.110902 -0.252778 -0.362649 0.105868 -0.006345 35O 1dz2 -0.003334 0.000052 0.001524 0.001042 -0.003793 0.000665 35O 1dxz 0.000219 -0.000041 0.003104 0.000884 -0.001412 -0.000989 35O 1dyz 0.001268 0.000768 0.002222 0.003750 -0.002301 -0.004100 35O 1dx2y2 0.003178 0.001942 -0.001300 -0.000549 -0.001073 0.000743 35O 1dxy -0.003272 0.002832 0.001794 0.000452 -0.002012 0.000399 35O 2dz2 0.023049 0.130499 0.019113 0.213277 0.029642 0.118231 35O 2dxz 0.125812 -0.039791 -0.105161 -0.027697 0.155304 0.104479 35O 2dyz 0.115562 0.138321 0.013997 0.165651 -0.010293 -0.078241 35O 2dx2y2 0.208944 -0.068450 0.239076 -0.098756 -0.109530 -0.373731 35O 2dxy -0.327562 -0.020708 0.079601 -0.089844 -0.133947 -0.144397 35O 1f0 0.003428 -0.001299 -0.000458 -0.002422 -0.003723 0.002754 35O 1f+1 0.001348 0.004203 -0.000993 0.003980 -0.010928 0.003723 35O 1f-1 -0.000628 0.000739 -0.001919 -0.001077 -0.003267 -0.000265 35O 1f+2 0.000615 0.002687 -0.000067 0.000732 -0.000555 0.001156 35O 1f-2 -0.000880 -0.000324 0.005353 0.001376 0.004350 -0.003599 35O 1f+3 0.001910 0.003157 0.002262 0.004130 -0.001189 0.000746 35O 1f-3 0.005380 0.004539 -0.000231 0.006458 -0.010122 0.000037 384 385 386 387 388 389 2.07222 2.07624 2.08719 2.08910 2.09509 2.09784 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s 0.001512 0.003036 -0.000768 -0.000365 0.001107 0.000052 0Rh 2s -0.006997 -0.013695 0.003539 0.002336 -0.005777 -0.000857 0Rh 3s 0.004626 0.009499 -0.002357 -0.000724 0.002989 -0.000218 0Rh 4s 0.034865 0.068053 -0.017591 -0.011821 0.029051 0.004433 0Rh 5s -0.044994 -0.083334 0.021773 0.020979 -0.044150 -0.010926 0Rh 6s -0.042659 -0.106178 0.027088 -0.012319 -0.003480 0.019095 0Rh 7s 0.223347 0.460638 -0.123513 0.129678 -0.041702 -0.033588 0Rh 8s 0.067366 -0.335555 0.100528 -0.053967 0.216155 -0.020513 0Rh 1pz -0.005568 -0.001761 -0.002081 0.005891 0.000915 -0.007875 0Rh 1px 0.000507 0.002459 -0.001599 -0.000726 0.004119 0.001799 0Rh 1py 0.000367 0.002709 -0.001456 0.003058 -0.008722 0.000816 0Rh 2pz 0.019662 0.006381 0.007393 -0.020194 -0.003645 0.027808 0Rh 2px -0.002010 -0.009287 0.005763 0.002294 -0.014284 -0.006186 0Rh 2py -0.001433 -0.009687 0.005055 -0.010969 0.030537 -0.003070 0Rh 3pz -0.014700 -0.007822 -0.006735 0.002739 0.010562 -0.020797 0Rh 3px 0.006369 0.020099 -0.006773 0.004143 0.004991 0.000844 0Rh 3py 0.003757 0.009931 -0.001790 0.011293 -0.016952 0.006370 0Rh 4pz -0.071866 -0.012645 -0.020749 0.121690 -0.014401 -0.100751 0Rh 4px -0.014169 -0.023787 -0.009207 -0.032588 0.076727 0.039712 0Rh 4py -0.004639 0.023163 -0.027428 0.029766 -0.136825 -0.006637 0Rh 5pz 0.126004 0.018360 0.037837 -0.212185 0.020524 0.182252 0Rh 5px 0.033059 0.076266 0.003333 0.058029 -0.144588 -0.078930 0Rh 5py 0.005131 -0.034756 0.049067 -0.055708 0.244598 0.008954 0Rh 6pz 0.073235 0.859671 -0.183635 0.506251 -0.781554 -0.007436 0Rh 6px -0.039486 -0.319804 0.040649 -0.115010 0.151486 0.010388 0Rh 6py -0.141214 -0.128833 0.349217 -0.386868 0.233440 0.726911 0Rh 1dz2 -0.002757 0.003648 0.006513 -0.000599 -0.005988 0.001758 0Rh 1dxz 0.002862 0.006266 -0.000550 -0.002088 -0.008422 -0.006042 0Rh 1dyz -0.014160 0.003460 0.000274 0.003927 -0.000325 -0.002222 0Rh 1dx2y2 0.001615 -0.004398 0.006080 -0.011938 0.002354 -0.005416 0Rh 1dxy -0.001761 -0.001894 0.002412 -0.005458 0.009576 0.003504 0Rh 2dz2 0.003805 -0.003024 -0.000564 -0.001241 0.000409 0.000626 0Rh 2dxz -0.000843 -0.000962 0.000880 -0.001644 0.001128 0.001011 0Rh 2dyz 0.007747 -0.003237 -0.004657 0.000271 0.000087 -0.001602 0Rh 2dx2y2 0.002651 0.003266 -0.001454 0.000959 -0.000904 0.000419 0Rh 2dxy 0.003594 0.000004 -0.001212 0.001012 -0.000053 0.000785 0Rh 3dz2 -0.009982 0.004246 -0.014171 0.006701 0.013733 -0.007121 0Rh 3dxz -0.003596 -0.011638 -0.002565 0.012554 0.016943 0.011383 0Rh 3dyz 0.001104 0.005933 0.020351 -0.011237 0.000510 0.012762 0Rh 3dx2y2 -0.016173 -0.003159 -0.009280 0.026536 -0.002274 0.012204 0Rh 3dxy -0.011914 0.004985 -0.000544 0.009715 -0.024747 -0.012388 0Rh 4dz2 0.061897 -0.049727 -0.015432 -0.012652 0.008157 0.006083 0Rh 4dxz -0.014614 -0.021674 0.014144 -0.022236 0.019623 0.015452 0Rh 4dyz 0.141453 -0.057794 -0.075708 0.000487 0.000646 -0.020615 0Rh 4dx2y2 0.042635 0.050367 -0.025325 0.021377 -0.012342 0.007846 0Rh 4dxy 0.063294 -0.000628 -0.024446 0.016615 -0.002951 0.006676 0Rh 5dz2 -0.324421 0.230980 0.128636 0.007423 -0.046154 -0.013697 0Rh 5dxz 0.070927 0.125104 -0.058154 0.081216 -0.117255 -0.085370 0Rh 5dyz -0.840898 0.322422 0.371178 0.025228 0.006936 0.049043 0Rh 5dx2y2 -0.192834 -0.190049 0.135643 -0.137060 0.054319 -0.027343 0Rh 5dxy -0.351287 0.024175 0.150100 -0.082764 0.037784 0.014380 0Rh 1f0 -0.100918 0.025443 -0.341236 -0.241331 -0.103029 0.019336 0Rh 1f+1 0.084419 0.077301 0.198425 0.304065 0.045516 -0.335372 0Rh 1f-1 0.092134 0.021708 0.164569 0.124524 0.118516 -0.073522 0Rh 1f+2 0.054849 -0.162391 0.178704 0.116440 0.160015 -0.109289 0Rh 1f-2 -0.125073 -0.056533 -0.100444 -0.230751 -0.018505 0.209473 0Rh 1f+3 -0.163992 -0.181360 -0.359817 -0.253129 -0.221439 -0.035509 0Rh 1f-3 -0.043571 -0.034928 -0.053374 -0.102367 -0.099222 0.218453 1Rh 1s -0.000148 0.003421 -0.000754 0.000474 -0.001270 0.000161 1Rh 2s 0.001078 -0.015519 0.003446 -0.002881 0.006552 -0.001414 1Rh 3s -0.000210 0.010654 -0.002333 0.001030 -0.003473 0.000087 1Rh 4s -0.005500 0.077158 -0.017115 0.014540 -0.032899 0.007228 1Rh 5s 0.010947 -0.095562 0.020872 -0.024705 0.048989 -0.015069 1Rh 6s -0.011637 -0.115026 0.027880 0.009751 0.009415 0.018279 1Rh 7s 0.001725 0.523533 -0.132831 -0.113496 0.012641 -0.036450 1Rh 8s -0.204110 -0.264647 0.105254 0.038098 -0.182881 0.006747 1Rh 1pz -0.001812 0.003471 0.002361 0.005983 0.001715 0.007750 1Rh 1px 0.000898 -0.002449 0.001507 -0.000980 0.004170 -0.002143 1Rh 1py -0.003316 -0.002745 0.001571 0.002985 -0.008698 -0.000343 1Rh 2pz 0.006256 -0.012373 -0.008348 -0.020519 -0.006458 -0.027317 1Rh 2px -0.003073 0.009322 -0.005449 0.003204 -0.014501 0.007395 1Rh 2py 0.011514 0.009862 -0.005475 -0.010716 0.030473 0.001409 1Rh 3pz -0.001375 0.011325 0.006782 0.002977 0.012441 0.019494 1Rh 3px 0.000331 -0.021631 0.006815 0.003270 0.006033 -0.001598 1Rh 3py -0.004677 -0.010968 0.002358 0.011225 -0.017363 -0.005364 1Rh 4pz -0.038448 0.038708 0.026710 0.122833 -0.003330 0.102213 1Rh 4px 0.018953 0.030084 0.006888 -0.035063 0.073612 -0.044907 1Rh 4py -0.057263 -0.020765 0.027998 0.028278 -0.134511 0.013631 1Rh 5pz 0.076159 -0.065182 -0.047932 -0.213906 0.000106 -0.184038 1Rh 5px -0.040061 -0.087559 0.000998 0.061632 -0.136603 0.089114 1Rh 5py 0.100743 0.031985 -0.049998 -0.052947 0.240691 -0.021026 1Rh 6pz -0.152760 -0.844756 0.216416 0.502528 -0.748422 0.094601 1Rh 6px 0.148672 0.319816 -0.050933 -0.106671 0.133651 -0.021313 1Rh 6py 0.012590 0.144741 -0.376220 -0.375896 0.151379 -0.755363 1Rh 1dz2 0.001671 0.002553 0.006368 0.000457 0.005937 0.000806 1Rh 1dxz 0.000206 0.007036 -0.000485 0.001871 0.007788 -0.006805 1Rh 1dyz -0.011583 0.003285 0.000128 -0.003858 0.000042 -0.001944 1Rh 1dx2y2 -0.004726 -0.003253 0.006580 0.011375 -0.002686 -0.005432 1Rh 1dxy -0.007867 -0.001360 0.002784 0.005344 -0.008989 0.004229 1Rh 2dz2 0.004114 -0.003071 -0.000486 0.001235 -0.000240 0.000697 1Rh 2dxz 0.000228 -0.001205 0.000985 0.001598 -0.000955 0.001122 1Rh 2dyz 0.007946 -0.003146 -0.004666 -0.000130 -0.000231 -0.001485 1Rh 2dx2y2 0.002833 0.003406 -0.001486 -0.000810 0.000795 0.000414 1Rh 2dxy 0.003290 0.000260 -0.001260 -0.000954 0.000099 0.000856 1Rh 3dz2 -0.022914 0.007315 -0.014120 -0.006304 -0.014335 -0.004969 1Rh 3dxz -0.001430 -0.012552 -0.003185 -0.011771 -0.016061 0.012881 1Rh 3dyz -0.006520 0.005985 0.020762 0.010426 0.000838 0.011524 1Rh 3dx2y2 -0.000341 -0.006797 -0.010426 -0.025739 0.003624 0.012247 1Rh 3dxy 0.005306 0.002466 -0.001302 -0.009687 0.023040 -0.014590 1Rh 4dz2 0.066552 -0.050439 -0.014507 0.012683 -0.005814 0.007514 1Rh 4dxz 0.000550 -0.025377 0.015551 0.021495 -0.016818 0.017313 1Rh 4dyz 0.144144 -0.056373 -0.075666 0.001710 -0.002274 -0.019057 1Rh 4dx2y2 0.044158 0.052835 -0.026122 -0.018900 0.010715 0.008028 1Rh 4dxy 0.060062 0.002895 -0.025289 -0.015505 0.002965 0.007468 1Rh 5dz2 -0.332118 0.231830 0.126689 -0.009386 0.037008 -0.021171 1Rh 5dxz 0.025597 0.137786 -0.063005 -0.078975 0.102676 -0.095971 1Rh 5dyz -0.840412 0.316084 0.369655 -0.035271 -0.005333 0.046348 1Rh 5dx2y2 -0.203846 -0.198747 0.140853 0.125705 -0.046360 -0.028759 1Rh 5dxy -0.350723 0.013915 0.154880 0.076839 -0.032632 0.014895 1Rh 1f0 0.104286 -0.029188 0.330326 -0.259744 -0.099988 -0.000685 1Rh 1f+1 0.014401 -0.090804 -0.181355 0.321455 0.078834 0.330113 1Rh 1f-1 -0.063781 -0.025168 -0.158743 0.135690 0.122195 0.058005 1Rh 1f+2 -0.052356 0.158043 -0.175232 0.126760 0.162972 0.087807 1Rh 1f-2 0.078343 0.069235 0.089137 -0.237839 -0.042001 -0.199487 1Rh 1f+3 0.166130 0.172084 0.348402 -0.268317 -0.220713 0.063007 1Rh 1f-3 -0.006159 0.042923 0.050699 -0.103191 -0.123614 -0.205496 2C 1s -0.012588 0.008025 0.003718 0.003419 0.001163 0.000505 2C 2s -0.043101 0.027102 0.013048 0.011460 0.005878 0.001441 2C 3s 0.258325 -0.128262 -0.108988 -0.087090 -0.041747 -0.054412 2C 4s 0.194641 -0.165755 0.099436 0.077440 -0.033220 0.280818 2C 5s -0.903983 -0.653894 0.356892 -0.008875 -0.560342 -0.275367 2C 1pz 0.158733 -0.146059 -0.096117 -0.004488 0.026454 -0.143348 2C 1px 0.039045 0.103864 0.009845 -0.041760 0.031805 0.095330 2C 1py 0.143501 -0.039263 0.002352 -0.096723 -0.071361 0.140413 2C 2pz 0.143877 0.088599 0.137096 -0.053371 -0.131541 0.456780 2C 2px 0.033310 -0.425341 -0.045529 0.095597 -0.139818 -0.234926 2C 2py -0.063120 -0.037818 -0.103276 0.216011 0.163287 -0.302661 2C 3pz -0.072436 -0.252137 0.069082 0.024880 -0.113250 -0.131276 2C 3px -0.244272 0.001255 0.140141 -0.029010 0.071823 -0.014115 2C 3py -0.019540 -0.141397 0.026334 -0.115761 -0.117574 0.170538 2C 1dz2 -0.026840 0.028862 0.009733 0.010234 -0.001439 -0.001628 2C 1dxz -0.004174 0.046671 0.002062 0.004283 0.012240 0.004867 2C 1dyz -0.052776 0.030963 0.005646 0.017028 0.010443 -0.007396 2C 1dx2y2 0.006692 -0.007967 -0.009263 0.004876 -0.012072 -0.022311 2C 1dxy -0.002577 0.019521 0.009148 -0.000232 -0.006052 0.027200 2C 2dz2 0.193455 -0.046703 0.056057 -0.090529 -0.085030 0.246796 2C 2dxz 0.034377 -0.278303 -0.019554 0.026490 -0.121965 -0.077759 2C 2dyz 0.218400 -0.111227 -0.054452 -0.014229 -0.006499 0.052716 2C 2dx2y2 0.018002 0.059223 0.065087 -0.066482 -0.034524 0.180316 2C 2dxy 0.071804 -0.189409 -0.054314 0.054540 -0.030639 -0.190029 2C 1f0 0.018533 -0.027926 -0.004681 0.005670 -0.000496 -0.034305 2C 1f+1 -0.004472 -0.011100 0.003921 0.001374 -0.007082 0.004956 2C 1f-1 0.056232 -0.015760 -0.011226 -0.012476 0.002468 0.014020 2C 1f+2 -0.048073 0.086794 0.022010 0.012349 0.020292 0.010992 2C 1f-2 0.069064 -0.029129 -0.012989 -0.015310 -0.014697 0.010167 2C 1f+3 -0.060188 0.076430 0.011925 0.023178 0.025721 -0.012201 2C 1f-3 -0.027340 -0.023065 -0.003256 0.008411 -0.001365 -0.015231 3C 1s 0.009809 0.000663 -0.006024 -0.004023 0.010247 -0.002294 3C 2s 0.032471 0.001788 -0.021242 -0.015702 0.037701 -0.008727 3C 3s -0.139984 0.031129 0.129984 0.112243 -0.277232 0.043505 3C 4s -0.399534 -0.128174 0.022419 0.015663 0.078391 0.097666 3C 5s 0.229992 -1.521547 0.267874 0.989411 -1.913954 0.263361 3C 1pz -0.157579 -0.067419 0.063622 0.130121 -0.216225 -0.051389 3C 1px -0.035456 0.135251 -0.064676 0.012106 -0.022262 -0.060878 3C 1py 0.084201 0.008352 -0.099935 -0.003423 0.085077 -0.071762 3C 2pz 0.211825 0.244603 -0.080737 -0.279593 0.420886 0.210428 3C 2px -0.171311 -0.376844 0.263151 0.037502 -0.120941 0.155683 3C 2py 0.375403 0.018931 0.048512 -0.154878 0.104483 0.086825 3C 3pz -0.186177 -0.104465 0.163001 0.273769 -0.512099 0.016313 3C 3px 0.059908 -0.169951 -0.048730 0.033116 -0.113812 -0.079669 3C 3py -0.000251 0.436541 -0.068417 -0.188994 0.406540 -0.111763 3C 1dz2 -0.006951 -0.014606 0.019541 -0.005398 -0.009004 0.012837 3C 1dxz 0.018970 0.018139 -0.019896 -0.007020 0.033890 -0.007532 3C 1dyz -0.026188 0.001871 0.006460 0.017049 -0.035144 -0.002875 3C 1dx2y2 -0.030862 -0.020469 0.019421 0.024534 -0.041332 -0.006370 3C 1dxy -0.035536 -0.022953 0.027046 0.017828 -0.043098 0.018588 3C 2dz2 0.230000 0.135856 -0.082816 -0.117213 0.188831 0.006315 3C 2dxz -0.048147 -0.141109 0.167534 -0.005117 -0.062747 0.186717 3C 2dyz 0.125946 -0.107839 -0.004142 0.022860 -0.006727 -0.030175 3C 2dx2y2 0.195380 0.025452 -0.009639 -0.136649 0.165790 0.063566 3C 2dxy 0.228040 0.184123 -0.180127 -0.118157 0.227754 -0.085645 3C 1f0 -0.025892 -0.042600 0.031889 0.032854 -0.051360 0.001764 3C 1f+1 -0.023695 -0.036753 0.031412 0.011567 -0.034519 -0.000908 3C 1f-1 -0.017352 -0.000926 0.000082 0.010941 -0.039145 0.001618 3C 1f+2 0.080789 0.023343 -0.058280 -0.045988 0.096116 -0.033853 3C 1f-2 0.061593 0.027342 -0.042226 -0.031466 0.072005 0.000436 3C 1f+3 -0.018467 0.006478 -0.001122 0.008347 0.007091 -0.004860 3C 1f-3 0.011106 0.027895 -0.009976 0.010531 -0.003059 0.001655 4C 1s 0.000294 0.002956 0.003810 -0.002356 0.000483 0.002251 4C 2s 0.000831 0.008180 0.012610 -0.008444 0.000518 0.005932 4C 3s 0.089418 -0.326604 0.040245 -0.094950 0.185160 0.083009 4C 4s -0.715563 1.836332 -0.709102 0.903145 -1.011021 -0.737036 4C 5s -1.127538 1.795171 0.043993 0.525344 -0.119119 0.033707 4C 1pz -0.127349 0.039123 0.036192 0.001355 -0.004059 0.028458 4C 1px -0.033665 0.073388 -0.042293 -0.006699 0.038715 -0.038774 4C 1py -0.110554 0.015764 0.006042 0.046326 0.020809 -0.064830 4C 2pz 0.454174 -0.114157 -0.318356 0.229242 -0.156644 -0.238190 4C 2px -0.037827 0.093354 0.240700 0.216761 -0.600161 0.418195 4C 2py 0.302158 0.141995 -0.182903 0.054380 -0.313585 0.197944 4C 3pz -2.277728 0.591215 0.777450 0.272356 -0.175349 -0.154090 4C 3px -0.435051 0.532411 0.249207 0.117644 -0.255585 0.427583 4C 3py -1.536350 0.548267 0.601610 0.268163 -0.235057 -0.066532 4C 1dz2 -0.034026 0.026120 -0.014321 0.008913 0.002627 0.007096 4C 1dxz -0.015359 -0.002936 -0.006536 0.001834 0.007046 -0.007871 4C 1dyz -0.012600 0.030084 0.014638 0.010951 0.001343 0.004095 4C 1dx2y2 -0.002465 -0.022080 -0.009624 -0.016240 0.005364 -0.013853 4C 1dxy 0.001712 -0.021918 0.010969 0.002958 0.007355 0.010124 4C 2dz2 -0.197613 0.147116 0.254949 -0.142053 0.089503 0.292658 4C 2dxz -0.205750 -0.426098 0.167470 0.062993 -0.094335 -0.162005 4C 2dyz -0.487622 0.210394 -0.009430 0.144638 0.106695 -0.295409 4C 2dx2y2 0.194783 0.007856 -0.112171 0.127291 -0.288397 -0.054355 4C 2dxy -0.102450 -0.034441 0.033284 0.088734 -0.299320 0.053179 4C 1f0 0.003800 0.003238 0.000768 -0.009471 -0.000079 0.011003 4C 1f+1 0.011104 -0.013562 0.015514 -0.026766 0.003918 0.013800 4C 1f-1 -0.028846 -0.018584 0.016996 -0.009153 0.006658 0.004130 4C 1f+2 0.008635 0.028973 -0.018345 0.003378 -0.014955 0.003165 4C 1f-2 -0.003286 0.005414 -0.005295 0.005590 0.003801 0.006944 4C 1f+3 -0.011589 -0.018700 0.006370 0.009746 0.012552 -0.019620 4C 1f-3 0.023224 -0.030542 0.005011 -0.011982 0.030176 0.006470 5C 1s 0.004988 -0.000579 -0.003068 0.001440 -0.001352 -0.001898 5C 2s 0.016582 -0.003994 -0.009465 0.007049 -0.009019 -0.006984 5C 3s -0.240824 -0.215457 0.071907 -0.221429 0.121106 0.026152 5C 4s 0.902373 1.570868 -0.187191 0.871168 -0.163273 0.039194 5C 5s 1.313152 1.142682 -0.867407 -0.252577 1.207843 -0.136512 5C 1pz 0.082171 -0.028917 0.000077 -0.051097 0.084699 0.091634 5C 1px 0.033698 0.009741 -0.050304 -0.051229 0.038005 -0.169872 5C 1py -0.078119 0.015244 0.022292 0.015631 -0.014900 -0.004476 5C 2pz -0.290137 0.176645 0.154881 0.210937 -0.237965 -0.147531 5C 2px -0.316120 0.404003 0.029252 0.442782 -0.383866 0.401562 5C 2py 0.470002 -0.157674 -0.222226 -0.239718 0.069075 -0.159402 5C 3pz 0.979326 -0.771453 -0.401257 0.142289 -0.094476 0.061339 5C 3px 0.605346 0.029838 -0.508173 0.233058 -0.201846 -0.192206 5C 3py -1.587610 1.085139 0.640042 -0.307908 0.367530 0.056556 5C 1dz2 -0.017437 0.004597 -0.019660 0.004314 -0.001821 -0.018324 5C 1dxz 0.005643 0.010125 -0.005774 -0.011264 0.025769 0.028886 5C 1dyz -0.000922 -0.011734 0.028033 0.011044 -0.027847 0.026576 5C 1dx2y2 -0.028522 -0.034242 0.008976 0.015337 -0.035597 0.015863 5C 1dxy -0.020435 0.003402 -0.003628 0.006695 -0.029966 -0.037660 5C 2dz2 0.206531 0.072993 -0.000074 -0.300247 0.310761 0.051627 5C 2dxz 0.114371 -0.105746 -0.048595 -0.130163 0.081149 -0.043874 5C 2dyz -0.505210 -0.193963 0.193059 0.137078 -0.335107 0.138252 5C 2dx2y2 -0.224874 0.226949 0.259084 0.246733 -0.360398 0.331520 5C 2dxy -0.090786 0.364371 -0.182271 -0.002718 0.001105 -0.297814 5C 1f0 -0.024147 0.019276 -0.005887 0.011122 -0.015395 -0.027796 5C 1f+1 -0.008077 -0.018685 0.013231 -0.015719 0.003017 0.013563 5C 1f-1 -0.005886 0.022188 -0.003792 0.014423 -0.025845 -0.028519 5C 1f+2 0.000803 0.012683 -0.000816 0.004005 0.007130 0.019114 5C 1f-2 0.010011 0.028926 0.007018 0.010328 0.007331 0.021402 5C 1f+3 -0.004865 -0.032660 0.001189 0.000178 -0.005819 -0.003719 5C 1f-3 0.011116 0.019443 0.003828 0.005072 0.016213 0.000651 6C 1s 0.000444 0.000702 -0.003169 -0.001451 0.001413 -0.001902 6C 2s 0.000767 0.000392 -0.009939 -0.007177 0.009178 -0.007432 6C 3s -0.128189 -0.224934 0.085767 0.216387 -0.107175 0.044641 6C 4s 0.986473 1.425444 -0.241284 -0.830103 0.060245 -0.033690 6C 5s 1.579269 1.030876 -0.852360 0.313665 -1.293491 -0.049393 6C 1pz -0.118164 0.035547 -0.004431 -0.052934 0.074036 -0.100865 6C 1px -0.021279 -0.006777 0.047103 -0.048530 0.054585 0.167674 6C 1py 0.137354 -0.030436 -0.021926 0.016482 -0.014995 0.004028 6C 2pz 0.443115 -0.186771 -0.137066 0.215773 -0.204587 0.179420 6C 2px -0.250199 -0.291148 0.000098 0.422558 -0.400385 -0.357899 6C 2py -0.484166 0.144500 0.208308 -0.237719 0.061473 0.150059 6C 3pz -1.256222 0.861007 0.405376 0.134272 -0.109762 -0.044930 6C 3px -0.970849 0.063162 0.522538 0.214453 -0.169419 0.218139 6C 3py 1.949777 -1.230804 -0.661659 -0.296050 0.363892 -0.117819 6C 1dz2 -0.018123 0.004481 -0.019964 -0.003537 -0.000503 -0.018725 6C 1dxz 0.009175 0.010342 -0.004877 0.012439 -0.023570 0.031709 6C 1dyz -0.009522 -0.008822 0.027334 -0.011940 0.030901 0.024191 6C 1dx2y2 -0.037581 -0.030436 0.008033 -0.015954 0.038326 0.013369 6C 1dxy -0.015197 0.002626 -0.004000 -0.007621 0.026189 -0.040321 6C 2dz2 0.047490 0.127435 0.020896 0.303182 -0.295481 0.091145 6C 2dxz 0.210464 -0.129032 -0.039909 0.124685 -0.070756 -0.038295 6C 2dyz -0.419206 -0.196030 0.183053 -0.144585 0.355120 0.110273 6C 2dx2y2 -0.168113 0.206685 0.244883 -0.243035 0.380126 0.289853 6C 2dxy -0.275032 0.406175 -0.183590 0.009670 -0.047344 -0.290358 6C 1f0 0.027251 -0.019580 0.006600 0.011118 -0.011941 0.029222 6C 1f+1 0.020939 0.013641 -0.014111 -0.015079 0.000602 -0.014770 6C 1f-1 0.008790 -0.022590 0.005025 0.014479 -0.022176 0.031519 6C 1f+2 0.011833 -0.015925 0.000844 0.003219 0.005750 -0.019920 6C 1f-2 0.001846 -0.029698 -0.006297 0.009535 0.006884 -0.021281 6C 1f+3 0.007795 0.030630 -0.001049 0.000984 -0.006913 0.003316 6C 1f-3 -0.007153 -0.019418 -0.003584 0.004771 0.017469 -0.001877 7C 1s -0.003914 0.002981 0.003828 0.002216 -0.000128 0.001983 7C 2s -0.013519 0.008320 0.012658 0.007902 0.000561 0.004858 7C 3s -0.000342 -0.292123 0.046514 0.091057 -0.166793 0.107408 7C 4s 0.441244 1.626034 -0.743981 -0.857016 0.851888 -0.819665 7C 5s -0.546084 1.702701 0.037318 -0.495604 0.050982 0.069189 7C 1pz 0.063621 -0.033179 -0.037029 -0.000313 -0.005653 -0.030517 7C 1px 0.009084 -0.075605 0.040959 -0.002207 0.035767 0.031448 7C 1py 0.105829 -0.020537 -0.004373 0.049213 0.025306 0.061390 7C 2pz -0.520179 0.115560 0.326809 0.219925 -0.112307 0.249027 7C 2px -0.224342 -0.032284 -0.222179 0.199669 -0.600934 -0.350500 7C 2py -0.591965 -0.086690 0.185782 0.032184 -0.305220 -0.169603 7C 3pz 1.490252 -0.497997 -0.775501 0.289208 -0.138324 0.149456 7C 3px 0.173276 -0.486721 -0.240898 0.118448 -0.278842 -0.399897 7C 3py 1.083656 -0.509286 -0.594723 0.284834 -0.211269 0.074443 7C 1dz2 -0.021031 0.024311 -0.014688 -0.008200 -0.002530 0.008041 7C 1dxz -0.011523 -0.003938 -0.006319 -0.000268 -0.008704 -0.006915 7C 1dyz 0.003744 0.027555 0.014298 -0.011039 -0.001596 0.005281 7C 1dx2y2 -0.004998 -0.021997 -0.008843 0.016021 -0.006135 -0.013674 7C 1dxy -0.006406 -0.021435 0.010679 -0.002664 -0.006462 0.010209 7C 2dz2 -0.184610 0.147716 0.264206 0.128212 -0.048574 0.303989 7C 2dxz -0.072964 -0.442835 0.163798 -0.068111 0.088555 -0.160505 7C 2dyz -0.396703 0.194901 -0.013180 -0.147856 -0.134174 -0.280111 7C 2dx2y2 0.327979 -0.005775 -0.119287 -0.117469 0.265726 -0.078421 7C 2dxy 0.222467 -0.096269 0.029539 -0.082074 0.298430 0.029119 7C 1f0 -0.007605 -0.002222 -0.001147 -0.009779 -0.001577 -0.011650 7C 1f+1 -0.003816 0.012648 -0.016627 -0.025830 0.001549 -0.014030 7C 1f-1 0.023269 0.018063 -0.017619 -0.008596 0.005024 -0.005201 7C 1f+2 -0.023146 -0.025726 0.018330 0.001365 -0.013979 -0.002119 7C 1f-2 0.004660 -0.006755 0.005650 0.005429 0.002740 -0.007202 7C 1f+3 0.021298 0.016401 -0.005915 0.010151 0.014548 0.018197 7C 1f-3 0.004467 0.026499 -0.005675 -0.011936 0.028851 -0.008300 8C 1s 0.012890 -0.000396 -0.005779 0.004252 -0.010577 -0.001478 8C 2s 0.044101 -0.002119 -0.020279 0.016481 -0.038866 -0.005694 8C 3s -0.254650 0.063270 0.123561 -0.117462 0.283662 0.019545 8C 4s -0.215963 -0.157738 0.018659 -0.009906 -0.077440 0.111657 8C 5s 0.369058 -1.584950 0.207253 -1.020725 1.973785 0.069043 8C 1pz 0.170759 0.064887 -0.053754 0.135631 -0.210466 0.073551 8C 1px 0.021207 -0.134585 0.065618 0.008308 -0.011065 0.060729 8C 1py -0.168182 0.015938 0.100921 -0.005965 0.095014 0.066358 8C 2pz -0.201488 -0.251291 0.059680 -0.294911 0.402840 -0.255528 8C 2px 0.158593 0.385244 -0.261361 0.051171 -0.150693 -0.138021 8C 2py -0.152465 -0.067625 -0.062390 -0.152610 0.084865 -0.096513 8C 3pz 0.213085 0.102504 -0.141819 0.281765 -0.510095 0.037089 8C 3px -0.111795 0.188893 0.051993 0.034944 -0.106660 0.089958 8C 3py 0.027444 -0.438169 0.059063 -0.196167 0.429835 0.076272 8C 1dz2 -0.013789 -0.013249 0.019597 0.004523 0.010878 0.011841 8C 1dxz 0.017789 0.019705 -0.019362 0.007897 -0.035231 -0.003461 8C 1dyz -0.044828 0.008529 0.005407 -0.017246 0.035086 -0.005072 8C 1dx2y2 -0.035842 -0.018094 0.017732 -0.025851 0.040821 -0.009785 8C 1dxy -0.030398 -0.024236 0.026052 -0.019277 0.045834 0.014419 8C 2dz2 0.195680 0.142071 -0.072671 0.122939 -0.188795 0.026823 8C 2dxz -0.063452 -0.139151 0.168406 0.000382 0.087474 0.178213 8C 2dyz 0.153289 -0.128329 -0.005754 -0.026805 0.005710 -0.037550 8C 2dx2y2 0.159529 0.031520 0.000978 0.137840 -0.153489 0.077234 8C 2dxy 0.185143 0.196986 -0.173093 0.127861 -0.241748 -0.061352 8C 1f0 0.019489 0.043009 -0.030235 0.035479 -0.053355 0.002418 8C 1f+1 0.013682 0.038824 -0.029454 0.012634 -0.033402 0.004968 8C 1f-1 0.038072 -0.004728 0.001024 0.010453 -0.039050 0.001936 8C 1f+2 -0.110668 -0.012660 0.055170 -0.047928 0.099917 0.026367 8C 1f-2 -0.069850 -0.024544 0.040613 -0.034330 0.073990 -0.006355 8C 1f+3 0.009796 -0.006087 0.001679 0.007839 0.008695 0.003572 8C 1f-3 -0.000896 -0.033160 0.010980 0.009161 -0.001389 -0.002477 9C 1s -0.007240 0.007345 0.003670 -0.003447 -0.001263 0.000923 9C 2s -0.024083 0.024694 0.012981 -0.011586 -0.006257 0.003198 9C 3s 0.123607 -0.114590 -0.108366 0.087108 0.042440 -0.068018 9C 4s 0.231870 -0.152588 0.096900 -0.068389 0.039253 0.285993 9C 5s -0.534651 -0.685194 0.350448 -0.017297 0.550009 -0.353088 9C 1pz -0.050692 0.130256 0.097371 -0.003783 0.037318 0.145183 9C 1px 0.023099 -0.107259 -0.010877 -0.041168 0.025012 -0.091542 9C 1py -0.145501 0.042442 -0.005786 -0.098063 -0.086309 -0.131651 9C 2pz -0.289540 -0.076390 -0.142466 -0.060535 -0.161918 -0.452174 9C 2px -0.206193 0.433307 0.048633 0.095246 -0.125093 0.230948 9C 2py 0.110245 0.027937 0.111681 0.212698 0.202327 0.284666 9C 3pz 0.092993 0.235985 -0.062536 0.031624 -0.104554 0.149007 9C 3px 0.234873 -0.001778 -0.141848 -0.020162 0.072494 0.012083 9C 3py -0.055468 0.155803 -0.034554 -0.116466 -0.133795 -0.151869 9C 1dz2 -0.008258 0.025178 0.009642 -0.009868 0.001262 -0.000237 9C 1dxz -0.017478 0.048719 0.001902 -0.003812 -0.013158 0.006187 9C 1dyz -0.025161 0.027615 0.005470 -0.016970 -0.011820 -0.004898 9C 1dx2y2 0.013802 -0.008563 -0.009833 -0.005026 0.010128 -0.023404 9C 1dxy -0.007653 0.021016 0.008889 0.000072 0.007832 0.025775 9C 2dz2 0.180816 -0.039686 0.060241 0.091074 0.105826 0.235983 9C 2dxz 0.169457 -0.294635 -0.019931 -0.025516 0.118004 -0.083521 9C 2dyz 0.119244 -0.096439 -0.055893 0.017147 0.009020 0.047279 9C 2dx2y2 0.037268 0.055520 0.068905 0.065919 0.052496 0.178230 9C 2dxy 0.088731 -0.185466 -0.056160 -0.053774 0.016935 -0.185229 9C 1f0 -0.025609 0.029612 0.005091 0.006356 0.001561 0.034410 9C 1f+1 -0.003990 0.011959 -0.003598 0.002085 -0.008015 -0.003854 9C 1f-1 -0.031294 0.012596 0.010710 -0.013162 0.001836 -0.013264 9C 1f+2 0.034446 -0.084536 -0.022690 0.012443 0.021742 -0.014317 9C 1f-2 -0.031298 0.023214 0.013205 -0.015329 -0.015366 -0.006168 9C 1f+3 0.024854 -0.070180 -0.012158 0.022447 0.028481 0.006244 9C 1f-3 0.003968 0.022424 0.002758 0.009766 0.000409 0.014315 10H 1s 0.093048 -0.185474 -0.044420 -0.018833 -0.067115 -0.045928 10H 2s -0.301878 0.445040 0.107464 0.062491 0.114771 0.074995 10H 3s 0.238297 -0.180119 -0.124698 0.011466 -0.040486 -0.071227 10H 1pz 0.028144 0.030425 -0.015274 -0.005581 0.031215 -0.007340 10H 1px 0.055784 0.039808 0.001167 -0.024935 0.002053 0.074138 10H 1py 0.017887 0.055557 0.038638 -0.060686 -0.036451 0.156449 11H 1s 0.142237 -0.044786 -0.032537 -0.031334 -0.009019 -0.022416 11H 2s -0.287316 0.143072 0.120211 0.046234 -0.008146 0.076789 11H 3s -0.079321 0.107824 0.056328 0.040714 0.154472 -0.103048 11H 1pz 0.053670 -0.130670 -0.010854 -0.008788 -0.051709 -0.037892 11H 1px 0.045451 0.086037 0.013179 -0.037474 -0.010657 0.109065 11H 1py 0.091876 -0.056909 0.029564 -0.062002 -0.088312 0.141048 12H 1s 0.156673 -0.129619 -0.015411 -0.059638 -0.040978 0.076780 12H 2s -0.407456 0.281300 0.048936 0.147305 0.133687 -0.149390 12H 3s 0.068111 0.055111 0.076384 -0.125813 -0.006746 0.325182 12H 1pz 0.037495 -0.164732 -0.064951 0.065456 0.014364 -0.179544 12H 1px 0.049931 0.096954 -0.012421 -0.014466 0.029670 0.056961 12H 1py -0.021656 -0.057807 -0.001073 0.011913 -0.004603 -0.032275 13H 1s -0.160033 -0.108732 0.128056 0.086535 -0.223566 0.008034 13H 2s 0.405584 0.250049 -0.264861 -0.202606 0.483160 0.046765 13H 3s -0.228048 -0.023118 0.166709 0.053820 -0.144221 0.044633 13H 1pz -0.003591 0.013945 -0.033152 0.034117 -0.034836 -0.039404 13H 1px -0.027604 0.081600 -0.055370 0.015515 -0.011184 -0.070863 13H 1py -0.014942 -0.070943 0.012189 0.049287 -0.046187 -0.032074 14H 1s -0.117325 -0.046792 0.082459 0.101864 -0.143603 0.042874 14H 2s 0.336183 0.072211 -0.202229 -0.233117 0.367915 -0.116051 14H 3s -0.074921 0.121772 -0.062965 0.027970 0.017369 -0.113307 14H 1pz -0.022204 -0.145151 0.061570 0.042107 -0.066899 0.013444 14H 1px 0.018014 0.093984 -0.050594 -0.025887 0.032768 -0.037134 14H 1py 0.024753 0.075086 -0.107196 0.009858 0.018061 -0.131188 15H 1s -0.057621 0.014941 0.036167 0.041988 -0.118774 0.042179 15H 2s 0.088765 -0.052160 -0.140433 -0.064283 0.222113 -0.162793 15H 3s 0.196197 0.014540 -0.135123 -0.204050 0.301167 0.015575 15H 1pz -0.126470 -0.104978 0.058705 0.118147 -0.178884 -0.017492 15H 1px -0.070395 0.083286 -0.053971 0.046473 -0.051677 -0.085631 15H 1py 0.127878 0.104998 -0.066867 -0.088145 0.145294 0.015952 16H 1s 0.003987 0.093749 -0.025865 -0.002571 -0.010340 0.068273 16H 2s -0.017105 -0.274574 0.087601 0.008574 0.063052 -0.192834 16H 3s 0.058249 0.121224 -0.037066 0.004353 -0.039347 0.081413 16H 1pz -0.016471 -0.076911 0.020796 0.018435 0.006201 -0.057973 16H 1px 0.066992 0.013835 0.016852 -0.095668 -0.009476 0.022581 16H 1py 0.053267 -0.042444 0.013862 -0.069902 -0.010704 -0.002734 17H 1s -0.002133 0.096420 -0.043998 0.001622 -0.041264 0.064199 17H 2s 0.028185 -0.269654 0.124144 -0.000553 0.092760 -0.208671 17H 3s -0.061873 0.134534 -0.051790 0.006762 -0.055656 0.037735 17H 1pz 0.001840 0.072865 -0.039349 0.015220 -0.114593 0.033178 17H 1px -0.052686 -0.076812 -0.024057 -0.142660 0.216339 0.075269 17H 1py -0.051847 -0.202286 0.043999 -0.126185 0.245384 -0.019222 18H 1s 0.023791 0.088792 -0.043328 0.005073 0.040013 0.061179 18H 2s -0.097682 -0.236270 0.121391 -0.018638 -0.091857 -0.202747 18H 3s 0.011364 0.114780 -0.052369 0.001244 0.049545 0.033198 18H 1pz -0.007082 -0.080992 0.041415 0.014581 -0.119242 -0.024877 18H 1px 0.019207 0.095723 0.014776 -0.148869 0.211022 -0.095791 18H 1py 0.062125 0.202908 -0.050592 -0.122605 0.237571 -0.005479 19H 1s 0.042843 0.084630 -0.024558 0.007660 0.010114 0.067285 19H 2s -0.094757 -0.257104 0.084306 -0.022197 -0.062011 -0.186314 19H 3s 0.082583 0.110522 -0.036812 0.001680 0.035689 0.073631 19H 1pz 0.029700 0.067579 -0.018288 0.023348 0.005031 0.054679 19H 1px 0.063289 -0.033923 -0.021538 -0.092548 -0.012949 -0.018870 19H 1py 0.050975 0.027149 -0.017606 -0.065330 -0.014935 0.007713 20H 1s -0.140829 0.038420 0.033428 -0.041745 0.123578 0.033007 20H 2s 0.278136 -0.101270 -0.136696 0.064451 -0.238516 -0.145105 20H 3s 0.154494 0.031785 -0.120450 0.211717 -0.296428 0.049321 20H 1pz 0.127017 0.107805 -0.049453 0.123044 -0.177083 0.036863 20H 1px 0.040703 -0.077922 0.057340 0.044900 -0.039062 0.089564 20H 1py -0.128110 -0.106887 0.060808 -0.093111 0.145413 -0.030647 21H 1s -0.153107 -0.027843 0.076224 -0.105240 0.148473 0.034496 21H 2s 0.403410 0.036272 -0.187307 0.240918 -0.379865 -0.090331 21H 3s -0.040137 0.121396 -0.066444 -0.025933 -0.037541 -0.106510 21H 1pz 0.021974 0.147665 -0.058444 0.046818 -0.071309 -0.005010 21H 1px -0.016838 -0.095801 0.048670 -0.029149 0.038732 0.033076 21H 1py -0.062378 -0.061159 0.109567 0.007689 0.035753 0.131522 22H 1s -0.158886 -0.109389 0.122013 -0.094423 0.227894 -0.014070 22H 2s 0.459190 0.231110 -0.251187 0.219368 -0.486391 0.089886 22H 3s -0.271233 -0.008940 0.161844 -0.059766 0.148082 0.030075 22H 1pz -0.023595 -0.005616 0.035871 0.034174 -0.029139 0.044012 22H 1px 0.005341 -0.079576 0.056281 0.013345 -0.001161 0.069677 22H 1py -0.008260 0.079261 -0.008920 0.052009 -0.043877 0.038158 23H 1s 0.045550 -0.111674 -0.015523 0.060129 0.049378 0.065151 23H 2s -0.201940 0.248408 0.048157 -0.149051 -0.153694 -0.122747 23H 3s 0.013352 0.059387 0.083522 0.127883 0.033673 0.319117 23H 1pz 0.028254 0.151030 0.069467 0.065895 0.030682 0.180046 23H 1px 0.004732 -0.101015 0.012756 -0.015133 0.026666 -0.055102 23H 1py -0.000370 0.059417 0.001903 0.012729 -0.001692 0.031532 24H 1s 0.056328 -0.036575 -0.033483 0.032307 0.006990 -0.029069 24H 2s -0.099691 0.127588 0.122174 -0.050505 0.015750 0.089727 24H 3s -0.185228 0.123886 0.052901 -0.042740 -0.167179 -0.088158 24H 1pz -0.091661 0.133398 0.010575 -0.007431 -0.050199 0.042390 24H 1px -0.020448 -0.087836 -0.014073 -0.036821 -0.019707 -0.104503 24H 1py -0.137186 0.065338 -0.031669 -0.062998 -0.102766 -0.131985 25H 1s 0.092252 -0.183002 -0.045636 0.016569 0.068868 -0.055066 25H 2s -0.210482 0.424616 0.111059 -0.057032 -0.119498 0.095932 25H 3s 0.205288 -0.170576 -0.126801 -0.007575 0.036268 -0.072347 25H 1pz 0.023116 -0.036806 0.014666 -0.005377 0.031755 0.006675 25H 1px -0.002068 -0.046770 -0.000761 -0.023980 -0.003930 -0.069055 25H 1py -0.035389 -0.050161 -0.040504 -0.061592 -0.050932 -0.151335 26O 1s 0.005858 -0.005642 -0.001806 0.000498 -0.003638 0.000913 26O 2s 0.015294 -0.014857 -0.005337 0.001552 -0.008722 0.002044 26O 3s -0.019696 0.033007 0.012609 0.000502 -0.012272 -0.000234 26O 4s -0.481369 0.401438 0.118775 -0.011651 0.294408 -0.026487 26O 5s 2.067592 -2.003855 -0.348174 -0.866980 0.837051 0.063497 26O 1pz 0.094856 -0.015407 -0.013044 -0.050471 -0.024785 0.059890 26O 1px -0.072524 0.026827 -0.000267 0.025339 -0.026928 -0.003897 26O 1py 0.012344 -0.014374 -0.021995 0.003205 0.018829 -0.060776 26O 2pz -0.073024 0.056596 -0.009849 0.060283 0.013474 -0.058288 26O 2px 0.056845 -0.049684 -0.029071 0.094810 -0.192855 -0.025042 26O 2py -0.001781 0.029791 -0.003085 0.039793 -0.115193 0.035532 26O 3pz 0.809079 -0.062612 -0.248028 -0.158013 -0.143798 0.379024 26O 3px -0.411371 0.873437 -0.103924 0.398368 -0.597477 0.030168 26O 3py 0.350667 0.110167 -0.199471 0.227680 -0.351423 0.056595 26O 1dz2 -0.000969 0.003018 -0.000542 -0.003895 -0.001307 0.003579 26O 1dxz 0.001231 0.003271 0.001041 -0.001102 -0.001229 0.001624 26O 1dyz 0.001697 -0.000670 0.001598 -0.001003 0.000465 0.002078 26O 1dx2y2 0.000525 -0.003719 0.002734 0.001032 -0.000495 -0.000112 26O 1dxy 0.000505 0.000895 -0.002286 -0.003322 -0.001417 0.000972 26O 2dz2 0.011721 0.012131 -0.108518 0.034909 -0.045798 -0.070635 26O 2dxz -0.179272 -0.120146 0.063196 0.049606 0.029767 -0.176780 26O 2dyz 0.174781 -0.247003 0.017693 -0.032408 -0.012310 0.050615 26O 2dx2y2 0.145120 -0.174425 0.064074 -0.079883 0.096063 -0.026020 26O 2dxy 0.042443 -0.067504 -0.003451 -0.137439 0.137549 0.024855 26O 1f0 0.002400 0.000683 -0.001226 0.001606 0.003007 -0.002274 26O 1f+1 -0.002247 -0.002459 -0.003165 0.002002 0.007162 -0.007918 26O 1f-1 -0.001140 -0.001241 -0.001253 0.000960 0.001987 -0.002690 26O 1f+2 -0.002413 0.002370 -0.000816 0.000865 0.002011 -0.002355 26O 1f-2 0.000451 -0.002116 0.002170 0.001376 -0.002776 0.002290 26O 1f+3 -0.000810 0.000120 0.002163 0.000245 0.003382 0.001434 26O 1f-3 -0.002348 0.000907 0.000739 -0.003067 0.003670 0.000849 27O 1s -0.006660 -0.000309 0.005095 0.004512 -0.007431 0.004151 27O 2s -0.017795 -0.001102 0.013620 0.011013 -0.018400 0.010010 27O 3s 0.030268 0.020432 -0.024031 0.001363 0.012619 0.004480 27O 4s 0.489765 -0.019290 -0.349513 -0.296071 0.462584 -0.354484 27O 5s -1.576031 -0.744372 0.898683 -0.491719 -0.165364 -0.049359 27O 1pz -0.029645 -0.017378 0.027225 -0.000912 -0.063981 0.019385 27O 1px 0.009313 -0.006958 -0.000294 0.004883 -0.000587 -0.011849 27O 1py 0.060776 -0.033956 0.000148 -0.044908 0.071195 0.043453 27O 2pz 0.027488 0.033810 -0.037385 -0.006838 0.081112 -0.029244 27O 2px -0.090939 0.064413 0.112716 0.185102 -0.151365 0.241414 27O 2py -0.042360 -0.022682 -0.007585 0.016436 -0.069590 -0.070872 27O 3pz -0.498590 0.007660 0.239184 0.040704 -0.101383 0.054628 27O 3px 0.043776 0.731258 -0.196342 0.455734 -0.296500 -0.188250 27O 3py 0.607166 -0.625753 -0.124474 -0.219722 0.406123 0.087389 27O 1dz2 -0.000864 -0.001634 -0.000882 -0.003459 0.003352 -0.002267 27O 1dxz 0.001194 0.003884 0.000039 0.001640 -0.002362 -0.005874 27O 1dyz 0.001493 0.001142 0.000274 -0.001018 0.004715 0.001845 27O 1dx2y2 -0.000693 -0.003235 0.003628 -0.000356 0.001607 0.006083 27O 1dxy 0.002079 -0.001056 0.002573 -0.001171 0.007209 0.001498 27O 2dz2 -0.051833 0.027380 -0.053085 0.066569 -0.023240 -0.114679 27O 2dxz 0.085543 0.080100 -0.026525 -0.034288 0.032116 -0.139314 27O 2dyz 0.270177 0.003131 -0.097502 -0.020037 0.125211 -0.023414 27O 2dx2y2 0.070496 -0.107972 -0.048172 -0.043197 -0.016952 -0.027427 27O 2dxy 0.055357 0.300072 -0.067704 0.046241 -0.040376 -0.046351 27O 1f0 -0.001054 -0.000488 0.000894 0.002808 -0.004392 -0.001829 27O 1f+1 -0.001986 -0.002851 -0.004266 -0.002176 -0.000299 -0.010647 27O 1f-1 0.000132 -0.000470 0.000141 -0.000670 -0.000906 0.001965 27O 1f+2 0.001846 -0.000863 -0.001655 -0.001424 0.000234 -0.001630 27O 1f-2 0.002897 0.000810 -0.002020 -0.000954 -0.001610 -0.005360 27O 1f+3 0.003929 -0.003946 0.001220 -0.007179 0.010733 -0.000517 27O 1f-3 0.001203 0.000609 0.000570 0.005383 -0.001634 0.006149 28O 1s 0.006684 -0.003905 -0.004174 -0.000916 -0.001059 -0.002918 28O 2s 0.017088 -0.010661 -0.010881 -0.002113 -0.003171 -0.007515 28O 3s -0.013966 0.041231 0.009968 0.003724 0.013045 0.012601 28O 4s -0.565423 0.087932 0.254806 0.064060 0.001429 0.031162 28O 5s 1.878989 -1.711753 -0.071282 -0.450284 -0.107203 0.526513 28O 1pz 0.027565 -0.065203 -0.029811 0.033597 -0.029506 -0.063254 28O 1px 0.080152 -0.044783 -0.012809 -0.008595 -0.007119 -0.012311 28O 1py 0.056330 -0.041106 0.006906 -0.045450 -0.026966 0.042671 28O 2pz -0.001637 0.168650 -0.064877 0.030479 0.004669 0.003541 28O 2px -0.115683 -0.108574 0.106939 -0.008245 -0.015055 0.052849 28O 2py -0.046153 0.065145 -0.017499 0.062427 0.003347 -0.040620 28O 3pz 0.620282 -0.273588 -0.556634 0.067763 -0.036449 -0.547112 28O 3px 0.498000 -0.532442 0.017630 -0.192818 0.058537 0.122882 28O 3py 0.625057 -0.479124 -0.163697 -0.025236 -0.189407 0.114889 28O 1dz2 0.001332 -0.005101 0.000095 -0.001993 -0.001193 -0.006278 28O 1dxz -0.002034 -0.003702 -0.000861 0.002126 0.000266 -0.003064 28O 1dyz 0.002502 -0.008694 -0.001823 -0.000627 0.001088 -0.002657 28O 1dx2y2 -0.001651 0.005136 -0.002020 0.000639 0.002316 -0.000751 28O 1dxy 0.000002 -0.001615 0.002832 -0.002271 -0.001336 -0.000741 28O 2dz2 -0.026781 -0.009753 0.077798 -0.036171 0.018759 0.072487 28O 2dxz 0.007143 -0.010873 -0.178398 0.092120 0.023616 -0.198051 28O 2dyz 0.165833 -0.158322 -0.096100 -0.011809 0.077989 -0.077970 28O 2dx2y2 0.086513 0.018885 -0.044215 -0.059571 0.078362 -0.040769 28O 2dxy 0.215805 -0.143116 0.028991 -0.066119 -0.084748 0.117454 28O 1f0 -0.001642 0.001674 0.001669 -0.000550 -0.000103 0.006990 28O 1f+1 0.002251 -0.001152 0.002723 -0.003289 0.001768 0.004260 28O 1f-1 -0.000659 0.003986 -0.001758 0.002360 -0.001353 -0.001031 28O 1f+2 0.004497 0.002002 -0.003300 -0.001868 -0.000376 -0.002277 28O 1f-2 -0.000352 -0.003543 0.001443 -0.000221 -0.001106 0.002849 28O 1f+3 0.002731 0.001634 -0.004244 0.001337 0.001986 -0.001856 28O 1f-3 0.000620 -0.001271 0.000383 -0.000591 -0.000234 0.001360 29O 1s -0.000050 0.001044 -0.000752 0.000779 -0.001412 0.001503 29O 2s -0.000171 0.005479 -0.003233 0.001902 -0.004564 0.006474 29O 3s 0.002501 -0.083817 0.039731 -0.000495 0.033777 -0.077994 29O 4s -0.012521 0.230169 -0.103348 -0.068951 -0.025666 0.241852 29O 5s 0.016393 0.271489 -0.082188 0.205030 -0.250204 -0.053906 29O 1pz -0.006860 0.024934 0.001974 -0.005230 0.010674 0.004891 29O 1px -0.011997 -0.021174 0.011195 0.007756 -0.006470 -0.004407 29O 1py 0.003675 0.052702 -0.011198 0.023287 -0.020000 0.030920 29O 2pz 0.010566 -0.045644 -0.012010 -0.011795 -0.040446 -0.014663 29O 2px 0.008206 0.094236 -0.052177 0.016002 -0.066479 0.047270 29O 2py 0.000378 -0.145479 0.055045 -0.013550 0.051935 -0.099790 29O 3pz 0.001310 -0.004044 0.009317 0.016754 0.072978 0.010818 29O 3px -0.025816 -0.114479 0.050679 -0.043187 0.092706 0.032340 29O 3py 0.001870 0.051368 -0.021331 0.098267 -0.096089 -0.071704 29O 1dz2 -0.000115 0.001486 -0.000871 -0.000454 -0.000594 0.000571 29O 1dxz 0.000404 -0.000459 0.000420 -0.001043 0.002227 0.000418 29O 1dyz 0.000240 -0.000683 0.000364 -0.000513 0.000257 0.001074 29O 1dx2y2 -0.000598 -0.003840 0.000355 -0.001451 0.001352 0.001182 29O 1dxy 0.000323 -0.000603 -0.000802 -0.000617 0.000281 -0.000502 29O 2dz2 -0.043061 -0.026006 0.002377 -0.005288 0.092479 0.009144 29O 2dxz 0.088478 0.045720 0.020458 -0.047799 -0.081160 0.014761 29O 2dyz 0.083218 0.070855 -0.002989 0.033829 -0.166324 -0.007950 29O 2dx2y2 0.043918 0.182344 -0.032838 0.210687 -0.281043 -0.040266 29O 2dxy 0.039918 0.015159 0.003493 -0.046692 0.019291 0.016581 29O 1f0 -0.000428 -0.009983 0.004024 0.002021 0.000922 -0.008287 29O 1f+1 0.000074 0.004564 -0.002239 -0.001715 -0.001054 0.003847 29O 1f-1 -0.000161 -0.013609 0.004043 -0.002148 0.004326 -0.008730 29O 1f+2 -0.000186 0.002249 -0.001108 -0.002274 0.002664 0.002630 29O 1f-2 0.001146 -0.010247 0.005572 0.000052 0.006738 -0.006164 29O 1f+3 -0.000145 0.004310 -0.001586 0.000355 -0.002687 0.001492 29O 1f-3 -0.000871 0.005106 -0.001923 0.000884 -0.003898 0.002987 30O 1s -0.006810 -0.000537 0.003208 0.002647 -0.004001 -0.003143 30O 2s -0.018863 -0.001425 0.008692 0.006799 -0.009783 -0.007804 30O 3s 0.055250 0.022485 -0.021824 -0.008979 0.014946 0.009724 30O 4s 0.322161 -0.156661 -0.128836 -0.138406 0.179795 0.169157 30O 5s -1.816228 -0.321880 0.783111 0.114213 -0.607605 0.143098 30O 1pz -0.031201 -0.011097 0.005702 0.055760 -0.068691 -0.000967 30O 1px -0.064950 -0.008086 0.024848 0.039574 -0.088027 0.001826 30O 1py 0.042750 0.051677 -0.069998 -0.033683 0.084719 -0.050994 30O 2pz 0.028955 0.098615 -0.030180 -0.012127 0.044991 -0.079225 30O 2px 0.019298 -0.097234 0.015533 -0.047292 0.038203 0.121634 30O 2py -0.041747 -0.128446 0.060163 -0.011788 -0.076416 0.097334 30O 3pz -0.343606 0.061073 0.253375 0.197941 -0.107502 0.139087 30O 3px -0.702011 -0.199632 0.267126 0.015471 -0.303345 -0.042306 30O 3py 0.457861 -0.093847 -0.516132 -0.210327 0.248570 -0.419400 30O 1dz2 0.000896 0.001937 0.001585 -0.000580 0.001488 0.001316 30O 1dxz -0.002138 -0.005740 0.000984 0.003331 0.000231 0.004731 30O 1dyz 0.002734 0.006160 -0.003877 -0.002919 0.007481 -0.000847 30O 1dx2y2 0.000339 0.005518 -0.004584 -0.003880 0.008701 -0.007760 30O 1dxy -0.001206 0.003522 -0.004595 0.001865 0.001413 -0.004179 30O 2dz2 0.178460 0.023977 0.022929 -0.031434 0.137840 0.085114 30O 2dxz -0.150925 -0.089882 0.035173 0.101865 -0.000013 0.017368 30O 2dyz 0.161712 0.098160 -0.039622 0.005050 0.022334 0.094275 30O 2dx2y2 -0.095129 0.015491 0.038532 0.032585 -0.103464 0.009487 30O 2dxy 0.053206 -0.053981 -0.182260 0.025230 -0.011253 -0.153171 30O 1f0 0.000042 -0.004182 0.000741 0.000177 -0.001365 0.008070 30O 1f+1 -0.000514 0.000380 0.000915 -0.001078 0.000017 0.001363 30O 1f-1 0.000147 0.000842 0.000799 0.000909 0.000065 0.002299 30O 1f+2 0.000559 -0.000101 0.001978 -0.000140 -0.003853 0.003912 30O 1f-2 -0.001081 0.002091 -0.000744 0.003284 -0.002816 -0.007593 30O 1f+3 -0.002422 0.000083 -0.000819 0.000957 0.000482 0.000840 30O 1f-3 -0.000219 -0.002863 0.002160 0.004073 -0.005370 0.001321 31O 1s -0.009515 -0.000012 0.003037 -0.002862 0.003669 -0.003545 31O 2s -0.024637 -0.000340 0.008257 -0.007363 0.008955 -0.008805 31O 3s 0.033604 0.027437 -0.021322 0.010488 -0.014696 0.011541 31O 4s 0.642300 -0.232880 -0.119439 0.145262 -0.158457 0.181918 31O 5s -1.983144 -0.173224 0.774830 -0.157595 0.687098 0.117137 31O 1pz 0.027498 0.013971 -0.002194 0.056578 -0.067717 0.007912 31O 1px 0.097066 -0.003727 -0.022399 0.041309 -0.090118 0.004904 31O 1py -0.049747 -0.048535 0.067906 -0.035501 0.090641 0.043001 31O 2pz 0.024697 -0.104010 0.029687 -0.013599 0.058102 0.076824 31O 2px -0.153977 0.122939 -0.018672 -0.047954 0.020658 -0.124870 31O 2py 0.009467 0.126141 -0.060676 -0.009672 -0.093425 -0.091892 31O 3pz 0.427104 -0.066661 -0.240661 0.204648 -0.107527 -0.125681 31O 3px 0.745698 0.147080 -0.265601 0.034781 -0.327167 0.058998 31O 3py -0.746644 0.153489 0.502989 -0.216404 0.283743 0.390195 31O 1dz2 0.001570 0.002013 0.001661 0.000576 -0.001475 0.001598 31O 1dxz -0.001545 -0.005811 0.000837 -0.003326 0.000341 0.004827 31O 1dyz 0.004336 0.005622 -0.003707 0.003186 -0.007741 -0.000258 31O 1dx2y2 0.002329 0.004895 -0.004318 0.003977 -0.009642 -0.006899 31O 1dxy -0.000339 0.003309 -0.004682 -0.001678 -0.002028 -0.003939 31O 2dz2 0.196842 0.019872 0.025948 0.034541 -0.131852 0.098437 31O 2dxz -0.083815 -0.111540 0.029124 -0.103623 -0.004044 0.016777 31O 2dyz 0.188633 0.078066 -0.040001 0.001335 -0.020613 0.090026 31O 2dx2y2 -0.104880 0.023744 0.036884 -0.033493 0.104419 0.001739 31O 2dxy 0.133090 -0.068271 -0.183968 -0.023914 -0.001454 -0.151910 31O 1f0 -0.003319 0.004559 -0.000707 0.000054 -0.002322 -0.008026 31O 1f+1 -0.000747 -0.000237 -0.000972 -0.001069 -0.000103 -0.001407 31O 1f-1 -0.001522 -0.000684 -0.000799 0.000927 -0.000157 -0.002469 31O 1f+2 0.002467 -0.000778 -0.001973 -0.000149 -0.004245 -0.003651 31O 1f-2 0.005649 -0.002637 0.000960 0.003428 -0.001886 0.007958 31O 1f+3 0.002819 -0.000289 0.000873 0.000842 0.000428 -0.000959 31O 1f-3 0.003918 0.002077 -0.001882 0.004172 -0.005478 -0.000765 32O 1s 0.000315 0.001072 -0.000753 -0.000693 0.001506 0.001445 32O 2s 0.001688 0.005316 -0.003179 -0.001468 0.004831 0.006278 32O 3s -0.027851 -0.076157 0.038285 -0.005908 -0.034486 -0.075970 32O 4s 0.077980 0.198750 -0.095740 0.088943 0.026902 0.239786 32O 5s 0.108885 0.268815 -0.094766 -0.201807 0.234297 -0.074734 32O 1pz 0.000392 -0.022333 -0.002604 -0.006019 0.011451 -0.005276 32O 1px 0.004510 0.021735 -0.010498 0.009322 -0.008128 0.005467 32O 1py -0.019628 -0.049566 0.012019 0.020552 -0.019931 -0.029179 32O 2pz 0.030283 0.033454 0.013772 -0.011184 -0.043556 0.014768 32O 2px -0.026782 -0.089891 0.052632 0.009272 -0.063725 -0.043096 32O 2py 0.049146 0.132290 -0.053801 -0.004214 0.049158 0.095245 32O 3pz -0.072132 0.024019 -0.009993 0.013073 0.076534 -0.017408 32O 3px -0.005300 0.119424 -0.054046 -0.040237 0.083383 -0.042108 32O 3py -0.021051 -0.051339 0.027249 0.096644 -0.084498 0.079815 32O 1dz2 0.000289 0.001542 -0.000832 0.000452 0.000623 0.000534 32O 1dxz 0.000201 -0.000414 0.000500 0.001027 -0.002217 0.000612 32O 1dyz 0.000288 -0.000620 0.000377 0.000567 -0.000124 0.001182 32O 1dx2y2 -0.001094 -0.003778 0.000486 0.001406 -0.001110 0.001317 32O 1dxy 0.000080 -0.000783 -0.000744 0.000699 -0.000416 -0.000481 32O 2dz2 0.018544 -0.043170 0.003644 0.009562 -0.098471 0.019867 32O 2dxz -0.037764 0.065680 0.021964 0.042514 0.084086 0.002828 32O 2dyz -0.006093 0.096836 -0.006667 -0.041233 0.168658 -0.026507 32O 2dx2y2 0.069590 0.188507 -0.045164 -0.209419 0.267927 -0.064044 32O 2dxy -0.013784 0.022008 0.006034 0.045351 -0.014016 0.015559 32O 1f0 0.003885 0.007962 -0.003513 0.002800 0.000562 0.007675 32O 1f+1 -0.001337 -0.004700 0.002373 -0.002075 -0.001348 -0.004140 32O 1f-1 0.007225 0.012473 -0.004203 -0.001340 0.004297 0.008630 32O 1f+2 -0.001056 -0.002403 0.001202 -0.002460 0.002388 -0.003255 32O 1f-2 0.001007 0.009349 -0.005451 0.000681 0.006625 0.005469 32O 1f+3 -0.000783 -0.003681 0.001416 0.000132 -0.002295 -0.001042 32O 1f-3 -0.000288 -0.004900 0.001944 0.000679 -0.003973 -0.002600 33O 1s 0.004768 -0.003512 -0.004183 0.000873 0.000884 -0.003122 33O 2s 0.013129 -0.009821 -0.010911 0.002020 0.002704 -0.008068 33O 3s -0.027127 0.042999 0.009997 -0.003448 -0.012287 0.013823 33O 4s -0.296755 0.044343 0.255638 -0.062995 -0.005822 0.043129 33O 5s 0.959737 -1.587106 -0.074546 0.434216 0.223806 0.471430 33O 1pz -0.023253 0.061637 0.032130 0.032668 -0.022000 0.066014 33O 1px -0.022331 0.037133 0.013731 -0.008139 -0.008127 0.014845 33O 1py -0.056796 0.043074 -0.008097 -0.045459 -0.031535 -0.037315 33O 2pz -0.045235 -0.160738 0.064761 0.030092 0.006249 -0.004915 33O 2px 0.055180 0.118996 -0.107732 -0.008971 -0.019817 -0.053441 33O 2py 0.002542 -0.060190 0.019248 0.061804 0.008798 0.036605 33O 3pz -0.552654 0.258892 0.555908 0.047688 0.024640 0.547805 33O 3px -0.165352 0.485588 -0.017670 -0.182337 0.018591 -0.115838 33O 3py -0.488646 0.459699 0.166862 -0.030072 -0.209922 -0.086998 33O 1dz2 0.001412 -0.004989 0.000190 0.001946 0.000622 -0.006307 33O 1dxz -0.001369 -0.003790 -0.000965 -0.001980 -0.000571 -0.002898 33O 1dyz -0.001152 -0.007955 -0.001851 0.000663 -0.001196 -0.002723 33O 1dx2y2 -0.000582 0.004952 -0.001991 -0.000663 -0.002324 -0.000340 33O 1dxy 0.000730 -0.001575 0.002943 0.002056 0.001366 -0.000780 33O 2dz2 0.014503 -0.017429 0.080407 0.030941 -0.008409 0.074665 33O 2dxz 0.085706 -0.019060 -0.180388 -0.083503 -0.050164 -0.191529 33O 2dyz 0.036597 -0.133420 -0.096243 0.011587 -0.080705 -0.073092 33O 2dx2y2 -0.013456 0.028496 -0.042545 0.059043 -0.077415 -0.035293 33O 2dxy 0.200269 -0.136781 0.031019 0.063914 0.099171 0.108674 33O 1f0 0.000871 -0.001456 -0.001685 -0.000621 -0.000779 -0.006874 33O 1f+1 -0.000811 0.001063 -0.002895 -0.003416 0.001466 -0.004267 33O 1f-1 -0.002297 -0.003694 0.001827 0.002501 -0.001386 0.000951 33O 1f+2 -0.002990 -0.002242 0.003216 -0.001815 -0.000255 0.002416 33O 1f-2 0.001076 0.003455 -0.001473 -0.000307 -0.001379 -0.002721 33O 1f+3 -0.000897 -0.001776 0.004288 0.001303 0.002111 0.001775 33O 1f-3 -0.000225 0.001163 -0.000421 -0.000595 -0.000321 -0.001400 34O 1s -0.006320 -0.000339 0.004818 -0.004659 0.007857 0.003424 34O 2s -0.017114 -0.001214 0.012944 -0.011450 0.019451 0.008177 34O 3s 0.037303 0.019401 -0.024089 0.000630 -0.013255 0.005759 34O 4s 0.466086 -0.019288 -0.331485 0.301769 -0.499341 -0.308406 34O 5s -2.488593 -0.472225 0.929805 0.427955 0.244306 -0.026674 34O 1pz 0.069036 0.007548 -0.026591 -0.000794 -0.065930 -0.013304 34O 1px -0.053353 0.021393 0.000772 0.004906 0.002430 0.013956 34O 1py -0.074494 0.039155 -0.002587 -0.045628 0.065569 -0.048175 34O 2pz -0.052522 -0.026253 0.036331 -0.008164 0.085660 0.021348 34O 2px 0.006543 -0.041893 -0.101710 0.181578 -0.169295 -0.222278 34O 2py 0.071718 0.010193 0.008220 0.019139 -0.065348 0.073570 34O 3pz 0.580004 -0.043179 -0.235981 0.047706 -0.110589 -0.050968 34O 3px -0.475902 -0.598917 0.227463 0.435549 -0.227912 0.241139 34O 3py -0.606392 0.626391 0.108889 -0.218679 0.380424 -0.128276 34O 1dz2 -0.001094 -0.001644 -0.000698 0.003397 -0.003514 -0.002024 34O 1dxz 0.000225 0.003896 -0.000077 -0.001709 0.001632 -0.006119 34O 1dyz 0.001136 0.000944 0.000346 0.001066 -0.004579 0.002132 34O 1dx2y2 -0.000732 -0.003208 0.003627 0.000286 -0.000870 0.006173 34O 1dxy 0.001092 -0.000954 0.002659 0.001065 -0.006918 0.002142 34O 2dz2 0.054512 -0.005654 -0.058670 -0.066236 0.003851 -0.122503 34O 2dxz 0.110516 0.059272 -0.025226 0.030923 -0.046059 -0.142395 34O 2dyz 0.235015 0.007548 -0.095344 0.024313 -0.130069 -0.012214 34O 2dx2y2 -0.081034 -0.061618 -0.046125 0.041233 0.022564 -0.022397 34O 2dxy 0.038969 0.302667 -0.070810 -0.038712 0.024246 -0.050670 34O 1f0 0.000526 0.000493 -0.000732 0.002891 -0.004224 0.002184 34O 1f+1 0.001316 0.003158 0.004174 -0.001986 0.000662 0.010683 34O 1f-1 -0.000177 0.000416 -0.000157 -0.000736 -0.001091 -0.001861 34O 1f+2 -0.000249 0.000299 0.001550 -0.001464 0.000381 0.001445 34O 1f-2 -0.001793 -0.001097 0.001960 -0.000942 -0.001083 0.005450 34O 1f+3 -0.001940 0.003535 -0.001690 -0.007038 0.010480 -0.000523 34O 1f-3 -0.002505 -0.000288 -0.000252 0.005204 -0.002076 -0.005996 35O 1s 0.007239 -0.006045 -0.001899 -0.000393 0.003694 0.000389 35O 2s 0.019417 -0.015900 -0.005576 -0.001289 0.008854 0.000791 35O 3s -0.028317 0.033110 0.012548 -0.000052 0.011213 -0.001164 35O 4s -0.496602 0.423380 0.124539 0.001224 -0.294277 0.011733 35O 5s 0.829630 -1.828738 -0.315843 0.837161 -0.727398 0.107343 35O 1pz -0.044604 0.009545 0.012240 -0.049962 -0.031692 -0.052821 35O 1px 0.005769 -0.019070 0.000677 0.025838 -0.026176 0.004541 35O 1py -0.010253 0.012611 0.022172 0.003978 0.024273 0.058698 35O 2pz 0.013911 -0.049025 0.011054 0.057551 0.024122 0.052426 35O 2px -0.164658 0.076137 0.035378 0.085330 -0.178136 0.044986 35O 2py -0.074123 -0.014342 0.005354 0.034475 -0.111106 -0.024727 35O 3pz -0.705777 0.063259 0.244528 -0.166036 -0.183123 -0.349775 35O 3px -0.221527 -0.775756 0.120590 0.381567 -0.554202 0.014447 35O 3py -0.428562 -0.104734 0.213844 0.219789 -0.340587 -0.021312 35O 1dz2 -0.001026 0.002829 -0.000419 0.003789 0.001757 0.003251 35O 1dxz 0.000598 0.003344 0.001069 0.000976 0.001297 0.001470 35O 1dyz -0.001008 -0.000278 0.001596 0.000835 -0.000137 0.001927 35O 1dx2y2 0.001312 -0.003926 0.002673 -0.001025 0.000387 -0.000117 35O 1dxy 0.000689 0.000713 -0.002124 0.003517 0.001400 0.000716 35O 2dz2 0.097839 -0.001472 -0.110358 -0.032188 0.035382 -0.075138 35O 2dxz -0.132844 -0.121556 0.062307 -0.056953 -0.042380 -0.167961 35O 2dyz 0.170210 -0.244782 0.019136 0.030255 0.023945 0.050236 35O 2dx2y2 -0.087814 -0.138223 0.065267 0.076366 -0.095326 -0.022918 35O 2dxy -0.056880 -0.065067 0.003330 0.137703 -0.127641 0.032358 35O 1f0 -0.001043 -0.001108 0.001265 0.001662 0.003102 0.001892 35O 1f+1 0.004888 0.001569 0.003186 0.002078 0.007680 0.007057 35O 1f-1 0.000930 0.001130 0.001244 0.000916 0.002236 0.002362 35O 1f+2 0.003930 -0.002595 0.000864 0.000848 0.002264 0.002229 35O 1f-2 -0.003073 0.002781 -0.002089 0.001186 -0.002772 -0.002022 35O 1f+3 0.001521 -0.000247 -0.002170 0.000353 0.003064 -0.001762 35O 1f-3 0.002295 -0.001458 -0.000977 -0.002703 0.003079 -0.001539 390 391 392 393 394 395 2.11031 2.11248 2.11595 2.12519 2.12822 2.14204 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s 0.002348 -0.000567 0.002926 0.003253 0.001021 -0.002043 0Rh 2s -0.010944 0.003361 -0.014667 -0.016508 -0.004830 0.013016 0Rh 3s 0.007138 -0.001288 0.008262 0.009073 0.003059 -0.004082 0Rh 4s 0.054471 -0.016901 0.073051 0.082922 0.023936 -0.065687 0Rh 5s -0.068340 0.027154 -0.097250 -0.120826 -0.028524 0.111551 0Rh 6s -0.082405 -0.001507 -0.089837 -0.040037 -0.047118 -0.034485 0Rh 7s 0.372448 0.112311 0.458889 0.134591 0.137535 0.099042 0Rh 8s -0.486066 -0.076835 -0.918154 0.589011 -0.484171 -0.010015 0Rh 1pz 0.000511 0.007218 0.003853 0.004786 0.000710 -0.007050 0Rh 1px 0.000101 0.003077 -0.001721 0.002172 -0.005979 -0.003983 0Rh 1py -0.007497 -0.007622 0.001686 0.010253 0.002403 0.000768 0Rh 2pz -0.001625 -0.025027 -0.013607 -0.016809 -0.001896 0.024461 0Rh 2px -0.001026 -0.011077 0.005443 -0.007156 0.020800 0.013099 0Rh 2py 0.026212 0.026006 -0.006164 -0.035570 -0.008593 -0.002938 0Rh 3pz -0.002983 0.008802 0.009819 0.010242 -0.011507 -0.008398 0Rh 3px 0.014968 0.012505 0.009490 -0.005386 -0.008238 0.011309 0Rh 3py -0.013944 -0.000746 0.008854 0.012106 0.008342 0.006884 0Rh 4pz 0.026380 0.132113 0.053159 0.071284 0.061327 -0.132335 0Rh 4px -0.056689 0.024021 -0.079051 0.069902 -0.110074 -0.138350 0Rh 4py -0.119192 -0.168942 0.005069 0.193495 0.024660 -0.008169 0Rh 5pz -0.059485 -0.236364 -0.110715 -0.121847 -0.123563 0.246501 0Rh 5px 0.135950 -0.047272 0.189411 -0.134587 0.231650 0.269301 0Rh 5py 0.222603 0.302432 -0.005621 -0.361540 -0.038885 0.015450 0Rh 6pz -0.513073 0.181251 -0.065466 -0.535344 0.174416 -0.842845 0Rh 6px -0.849772 -0.092133 -0.846800 0.607140 -0.409326 -0.830114 0Rh 6py -0.220423 -1.182245 0.064005 0.527914 -0.677835 -0.213972 0Rh 1dz2 0.006325 0.011023 0.005419 -0.003931 -0.007390 0.009811 0Rh 1dxz -0.004082 0.006038 -0.001448 -0.010225 0.005121 0.001017 0Rh 1dyz 0.003214 -0.006770 0.001033 -0.005188 -0.002991 0.005980 0Rh 1dx2y2 -0.004101 -0.005652 -0.004273 0.015045 -0.000143 -0.017589 0Rh 1dxy -0.010502 0.005414 0.002983 0.010437 -0.005517 -0.007443 0Rh 2dz2 -0.001583 -0.002358 -0.001852 0.000022 0.000614 -0.001844 0Rh 2dxz -0.002128 -0.001788 -0.001993 0.000011 -0.001436 -0.001299 0Rh 2dyz -0.001659 -0.002053 0.000669 -0.001063 -0.001644 -0.001598 0Rh 2dx2y2 0.001253 0.000574 0.001997 -0.001349 0.001583 0.001853 0Rh 2dxy 0.001042 0.000088 0.001325 -0.000985 -0.000670 0.000489 0Rh 3dz2 -0.009226 -0.018338 -0.005926 0.010335 0.016868 -0.017546 0Rh 3dxz 0.020054 -0.007812 0.012615 0.026875 -0.007163 0.002725 0Rh 3dyz -0.000945 0.026892 -0.005667 0.018258 0.015309 -0.008659 0Rh 3dx2y2 0.004825 0.012228 0.002095 -0.033628 -0.006444 0.037918 0Rh 3dxy 0.022721 -0.014679 -0.013722 -0.022840 0.017413 0.017485 0Rh 4dz2 -0.028396 -0.036524 -0.029357 0.000620 0.006196 -0.031176 0Rh 4dxz -0.029658 -0.028876 -0.029897 0.001587 -0.022345 -0.012876 0Rh 4dyz -0.025332 -0.028991 0.010559 -0.011828 -0.028112 -0.022958 0Rh 4dx2y2 0.025604 0.009779 0.036432 -0.020703 0.022018 0.033922 0Rh 4dxy 0.021190 0.003356 0.020802 -0.020742 -0.007328 0.008777 0Rh 5dz2 0.142887 0.135216 0.143410 -0.045072 0.015372 0.184861 0Rh 5dxz 0.098702 0.134620 0.136613 -0.044347 0.131121 0.004762 0Rh 5dyz 0.084837 0.055646 -0.058626 -0.039433 0.178689 0.060705 0Rh 5dx2y2 -0.161774 -0.048772 -0.232019 0.119769 -0.103561 -0.249190 0Rh 5dxy -0.152839 -0.049810 -0.105560 0.149183 0.004377 -0.083713 0Rh 1f0 0.045871 0.161939 -0.004371 -0.064240 -0.095327 -0.247479 0Rh 1f+1 -0.199022 0.057607 0.054784 0.015844 -0.111659 -0.111757 0Rh 1f-1 0.011354 -0.131361 -0.028704 -0.170214 -0.079637 0.121601 0Rh 1f+2 0.117247 0.058349 -0.095546 -0.054157 0.057051 -0.014375 0Rh 1f-2 -0.022264 0.070882 -0.033575 -0.030188 0.138570 0.096758 0Rh 1f+3 0.040478 0.194788 -0.136893 -0.013787 0.080614 0.076970 0Rh 1f-3 -0.239670 -0.111658 0.192144 0.024591 -0.092820 0.094477 1Rh 1s 0.002396 -0.000106 0.002858 -0.003358 0.000754 0.000331 1Rh 2s -0.011321 -0.000160 -0.014359 0.017096 -0.003501 0.000205 1Rh 3s 0.007188 -0.000721 0.008048 -0.009332 0.002300 0.002077 1Rh 4s 0.056388 0.000964 0.071513 -0.085858 0.017259 -0.001298 1Rh 5s -0.072048 -0.006851 -0.095258 0.125092 -0.018960 0.014406 1Rh 6s -0.079366 0.024570 -0.088047 0.042195 -0.043195 -0.055839 1Rh 7s 0.335013 -0.212401 0.444519 -0.145097 0.116967 0.137935 1Rh 8s -0.450119 0.235994 -0.920775 -0.545534 -0.526481 0.174984 1Rh 1pz 0.001185 0.007093 -0.003696 0.004957 -0.000273 -0.005874 1Rh 1px 0.000549 0.002677 0.001900 0.001916 0.006213 0.000643 1Rh 1py 0.005385 -0.009016 -0.002283 0.010511 -0.001670 0.004771 1Rh 2pz -0.004254 -0.024536 0.013070 -0.017362 0.000359 0.020319 1Rh 2px -0.001335 -0.009849 -0.006085 -0.006264 -0.021630 -0.002959 1Rh 2py -0.018969 0.030871 0.008229 -0.036472 0.006024 -0.016434 1Rh 3pz 0.005018 0.007308 -0.009758 0.009640 0.012535 -0.005504 1Rh 3px -0.011827 0.015585 -0.008760 -0.005766 0.008936 0.016192 1Rh 3py 0.012963 -0.003168 -0.009473 0.012547 -0.006969 0.003270 1Rh 4pz 0.004844 0.135705 -0.049777 0.077602 -0.055270 -0.117286 1Rh 4px 0.059791 0.002324 0.080415 0.065322 0.112791 -0.043251 1Rh 4py 0.075047 -0.191882 -0.016368 0.197803 -0.012615 0.098117 1Rh 5pz 0.003431 -0.246556 0.104640 -0.134131 0.113725 0.227417 1Rh 5px -0.141061 0.002581 -0.191892 -0.124554 -0.237206 0.066701 1Rh 5py -0.143146 0.346218 0.025909 -0.368767 0.016363 -0.183027 1Rh 6pz 0.519059 0.094784 0.060512 -0.524934 -0.262183 -1.068162 1Rh 6px 0.788741 -0.324054 0.837775 0.587138 0.433890 -0.498259 1Rh 6py -0.039917 -1.214842 -0.096019 0.472413 0.641165 0.048044 1Rh 1dz2 0.003519 -0.011888 0.005289 0.004695 -0.007515 -0.004246 1Rh 1dxz -0.005285 -0.005167 -0.001455 0.009725 0.005656 0.002933 1Rh 1dyz 0.004615 0.006026 0.001179 0.005486 -0.002313 0.001506 1Rh 1dx2y2 -0.002815 0.006605 -0.004120 -0.015232 -0.000883 0.006266 1Rh 1dxy -0.011262 -0.002541 0.002693 -0.010054 -0.006439 -0.003063 1Rh 2dz2 -0.001009 0.002700 -0.001776 -0.000089 0.000751 0.000193 1Rh 2dxz -0.001653 0.002284 -0.001898 0.000096 -0.001295 0.000839 1Rh 2dyz -0.001140 0.002522 0.000729 0.001275 -0.001384 0.000950 1Rh 2dx2y2 0.001095 -0.000974 0.001940 0.001219 0.001569 -0.001336 1Rh 2dxy 0.000999 -0.000349 0.001275 0.001132 -0.000536 0.001395 1Rh 3dz2 -0.004455 0.019008 -0.005927 -0.012069 0.016562 0.009906 1Rh 3dxz 0.021084 0.003341 0.012208 -0.026035 -0.009199 -0.011301 1Rh 3dyz -0.006930 -0.027051 -0.006320 -0.020014 0.012379 -0.008223 1Rh 3dx2y2 0.002175 -0.012876 0.001958 0.034676 -0.004417 -0.010270 1Rh 3dxy 0.024932 0.008338 -0.012733 0.021188 0.019239 0.002048 1Rh 4dz2 -0.019269 0.042804 -0.028158 -0.001209 0.008495 0.010488 1Rh 4dxz -0.022220 0.035954 -0.028475 0.000165 -0.020423 0.008161 1Rh 4dyz -0.017915 0.036151 0.011459 0.015580 -0.024700 0.013152 1Rh 4dx2y2 0.022817 -0.017393 0.035388 0.019043 0.021592 -0.026056 1Rh 4dxy 0.019865 -0.008613 0.019963 0.022702 -0.005183 0.018565 1Rh 5dz2 0.106593 -0.168919 0.139018 0.042985 0.008806 -0.102106 1Rh 5dxz 0.066264 -0.161191 0.131814 0.033677 0.127703 0.031837 1Rh 5dyz 0.068278 -0.082247 -0.061367 0.015137 0.177836 -0.023460 1Rh 5dx2y2 -0.147294 0.095852 -0.227515 -0.114365 -0.101979 0.152905 1Rh 5dxy -0.136935 0.088029 -0.101545 -0.156179 -0.005087 -0.071300 1Rh 1f0 -0.009214 0.168417 0.006030 -0.063725 0.084735 -0.132228 1Rh 1f+1 0.202242 0.009221 -0.051163 0.010816 0.106888 -0.121121 1Rh 1f-1 -0.044429 -0.128209 0.025827 -0.180230 0.066265 0.050158 1Rh 1f+2 -0.105895 0.079976 0.098717 -0.050320 -0.058860 -0.085239 1Rh 1f-2 0.043153 0.069450 0.035106 -0.021148 -0.132561 0.034526 1Rh 1f+3 0.002724 0.199824 0.138995 -0.004433 -0.072166 -0.011543 1Rh 1f-3 0.218142 -0.159617 -0.192938 0.007323 0.082514 -0.142110 2C 1s 0.003019 0.004411 0.002370 0.009354 0.003065 -0.002506 2C 2s 0.011061 0.017181 0.007693 0.035586 0.014499 -0.009425 2C 3s -0.090069 -0.161691 -0.055830 -0.290086 -0.140540 0.122851 2C 4s 0.177830 0.197889 0.135618 0.301858 0.280944 -0.484844 2C 5s -1.116848 -1.753407 -0.697415 -2.663009 1.204957 -1.436251 2C 1pz 0.016512 0.006862 -0.004882 -0.150158 -0.061696 0.020952 2C 1px 0.032689 0.084945 -0.058769 0.089088 -0.184829 0.021491 2C 1py -0.120449 -0.214509 0.013094 -0.043808 0.071094 0.019377 2C 2pz -0.022521 -0.126203 0.059988 0.267802 0.299309 -0.294350 2C 2px -0.212453 -0.293147 0.083620 -0.408431 0.487891 -0.091801 2C 2py 0.315859 0.484113 0.014947 -0.033621 -0.115758 -0.292320 2C 3pz -0.188495 -0.309871 -0.181207 -0.664091 0.238635 -0.304353 2C 3px -0.069575 0.000146 -0.098239 0.042822 0.081226 0.048666 2C 3py -0.254301 -0.432844 -0.013204 -0.431430 0.238130 -0.301168 2C 1dz2 0.024923 -0.004534 -0.010356 0.033230 0.003750 0.020612 2C 1dxz 0.016732 0.034257 -0.011313 0.066055 -0.011768 0.020618 2C 1dyz 0.011682 0.026629 0.019334 0.024020 -0.001223 -0.015835 2C 1dx2y2 -0.010289 -0.040614 -0.006698 -0.028285 0.016289 -0.001613 2C 1dxy -0.012317 0.014545 0.020407 0.038495 -0.002192 -0.011999 2C 2dz2 -0.134229 -0.128928 0.028191 0.035232 0.080551 -0.089732 2C 2dxz -0.110273 -0.283722 0.139981 -0.374081 0.322741 -0.175733 2C 2dyz 0.009010 0.074687 -0.059763 -0.051464 -0.115674 -0.082596 2C 2dx2y2 -0.144783 -0.049701 0.003434 0.090788 0.001191 0.030900 2C 2dxy 0.038460 -0.075978 -0.046697 -0.227171 0.084161 0.002379 2C 1f0 -0.011789 -0.037040 -0.026786 -0.056408 0.004398 0.007701 2C 1f+1 -0.024832 -0.000844 0.006632 -0.001836 0.004645 -0.003644 2C 1f-1 0.019515 0.009208 0.003132 0.015844 -0.009691 0.005197 2C 1f+2 0.056134 0.052584 0.004628 0.096796 0.017080 -0.004416 2C 1f-2 -0.021566 -0.021455 -0.024647 -0.058620 -0.042910 0.016611 2C 1f+3 0.040970 0.042694 0.014318 0.089753 0.037704 -0.017864 2C 1f-3 -0.021247 -0.014091 0.006770 -0.018876 0.024473 -0.012095 3C 1s 0.001858 0.002364 0.004280 -0.005498 0.000059 -0.003165 3C 2s 0.006933 0.006498 0.015560 -0.019721 -0.002683 -0.011494 3C 3s 0.005751 -0.043373 -0.171951 0.188051 0.046843 0.089668 3C 4s -0.188413 0.074767 0.509956 -0.366525 -0.150127 -0.205577 3C 5s -0.005350 0.830024 0.493449 0.262621 -0.883554 0.630470 3C 1pz -0.003505 0.011553 0.122347 0.122028 -0.025809 0.028713 3C 1px -0.176939 -0.108561 -0.006116 0.038868 0.001207 -0.054288 3C 1py -0.075206 0.010236 0.141775 -0.024075 -0.033277 -0.021002 3C 2pz 0.012576 -0.016611 -0.173387 -0.394750 0.037201 -0.147912 3C 2px 0.386374 0.312178 0.009747 -0.121383 0.007212 0.191902 3C 2py 0.237915 -0.014072 -0.523838 0.053930 0.194012 0.151093 3C 3pz -0.069528 0.126995 0.222466 0.015194 -0.028462 0.061794 3C 3px -0.185581 -0.110601 0.113563 0.143135 -0.174689 0.055899 3C 3py -0.013493 -0.173421 -0.071887 -0.041416 0.207972 -0.176247 3C 1dz2 -0.001422 -0.003469 -0.009437 -0.012329 0.006742 0.027535 3C 1dxz -0.038132 -0.022747 0.004733 -0.006665 -0.008747 -0.000405 3C 1dyz -0.007528 -0.014045 -0.018937 0.032775 -0.019918 -0.001707 3C 1dx2y2 -0.023019 -0.000820 0.008819 0.006189 0.016872 0.019860 3C 1dxy -0.009083 -0.001789 0.011384 -0.001278 0.000765 0.015097 3C 2dz2 -0.008234 -0.052426 -0.112940 -0.066489 0.032554 -0.045889 3C 2dxz 0.283522 0.144600 -0.035261 -0.084254 0.005142 0.039992 3C 2dyz 0.154262 0.094212 0.154655 0.013705 0.029153 0.079574 3C 2dx2y2 0.199096 0.024574 -0.253277 -0.037519 0.000767 0.012619 3C 2dxy -0.067877 -0.135568 -0.125738 0.054172 -0.025809 -0.103821 3C 1f0 -0.036114 -0.000549 -0.006056 0.018725 0.021299 0.033192 3C 1f+1 -0.001764 0.013088 -0.006860 0.009855 0.023568 0.027111 3C 1f-1 0.002306 0.007462 -0.030007 0.020028 0.001973 0.014654 3C 1f+2 0.031486 0.011038 0.024005 -0.039217 -0.002338 -0.028305 3C 1f-2 0.027531 -0.005449 0.022403 -0.030578 -0.028618 -0.033939 3C 1f+3 -0.022135 -0.013760 0.010868 -0.004046 -0.009328 -0.006825 3C 1f-3 -0.027599 -0.016274 -0.002267 0.000185 -0.010617 -0.003951 4C 1s 0.000151 0.001802 -0.009908 -0.000243 0.002330 0.012189 4C 2s -0.000432 0.002072 -0.031500 -0.004999 0.010852 0.039971 4C 3s -0.167957 0.219046 -0.215828 -0.023242 -0.278890 0.011074 4C 4s 1.168728 -1.266003 2.716625 0.466956 1.338637 -1.673601 4C 5s 1.209654 0.411754 1.541839 2.014408 0.611241 -0.896803 4C 1pz 0.035270 -0.022453 0.003885 -0.032890 -0.023276 -0.036800 4C 1px -0.212095 -0.087967 0.026910 0.030951 0.008716 -0.017607 4C 1py -0.026745 0.077626 0.032881 -0.009058 -0.075997 -0.031268 4C 2pz 0.183429 -0.194182 0.862918 0.378844 0.472953 -0.613357 4C 2px 0.424567 0.299833 -0.161257 -0.712319 -0.106004 -0.315556 4C 2py 0.237731 -0.394968 0.335081 -0.059757 0.397115 -0.454500 4C 3pz -0.190493 -0.883273 0.077463 -0.677662 1.863273 -1.583863 4C 3px -0.161103 0.102231 -0.156427 -0.345664 0.122817 -0.342442 4C 3py -0.099299 -0.459842 -0.107999 -0.367408 1.049497 -0.877218 4C 1dz2 -0.015824 0.014958 0.019192 0.015914 -0.029003 -0.013968 4C 1dxz 0.053028 0.016199 0.009394 0.029070 -0.009319 0.000174 4C 1dyz 0.008357 0.013914 -0.009413 0.030369 0.005158 0.004477 4C 1dx2y2 -0.007985 -0.019017 -0.011160 -0.031642 0.027334 0.021369 4C 1dxy 0.038305 0.016876 0.005062 0.012890 0.011597 0.016932 4C 2dz2 -0.373519 -0.018205 -0.028339 0.497995 0.080320 0.280770 4C 2dxz -0.029565 0.086379 -0.266677 -0.562968 0.156671 0.211827 4C 2dyz 0.181525 0.213440 0.003183 0.154720 -0.030422 0.137019 4C 2dx2y2 0.111759 -0.338877 0.471961 -0.209014 0.325143 -0.498124 4C 2dxy 0.007324 -0.391163 0.203164 -0.381023 0.355272 -0.269087 4C 1f0 -0.008072 -0.039589 -0.033988 -0.009144 0.008982 0.035278 4C 1f+1 -0.024674 -0.017311 -0.034965 0.005159 0.022561 0.046759 4C 1f-1 -0.009416 -0.000737 -0.026853 -0.014528 0.004850 0.011102 4C 1f+2 0.040679 -0.032984 0.018242 0.050429 0.021748 -0.007667 4C 1f-2 -0.018999 0.007186 -0.017979 -0.016942 -0.001181 -0.002595 4C 1f+3 0.020172 0.018443 0.017354 0.029995 -0.006828 0.008047 4C 1f-3 0.020095 0.031996 -0.036669 -0.010417 0.014667 0.010380 5C 1s -0.003183 -0.001928 -0.003669 0.007251 -0.009841 0.008547 5C 2s -0.008995 -0.005735 -0.010178 0.025353 -0.031722 0.029600 5C 3s -0.379277 -0.333337 -0.317588 -0.008521 -0.075891 0.099625 5C 4s 2.682858 2.063078 2.466306 -1.061908 1.888271 -1.757256 5C 5s 1.290567 0.661956 1.392162 -1.194489 0.763013 -1.580999 5C 1pz -0.014867 -0.006017 -0.024838 -0.084256 0.037814 0.015854 5C 1px 0.041523 0.046508 -0.082519 0.109320 0.136014 -0.019890 5C 1py 0.020595 0.027405 -0.022770 0.057267 -0.029948 0.009940 5C 2pz 0.467790 0.226759 0.533135 0.101860 0.109089 -0.468609 5C 2px -0.289397 0.351539 0.416794 -0.949285 0.087697 0.170650 5C 2py -0.561294 -0.547027 -0.777035 0.246629 -0.422282 0.544400 5C 3pz 0.434652 0.430119 0.714049 -0.107699 -0.602439 -0.174123 5C 3px -0.207676 0.426541 0.381294 -0.631275 -0.018773 0.063915 5C 3py -0.483932 -0.786323 -1.444583 0.481061 0.858061 0.018307 5C 1dz2 0.015823 0.016729 -0.010705 -0.001871 0.012844 -0.018599 5C 1dxz -0.005179 -0.003370 0.011900 -0.018836 -0.014152 -0.025871 5C 1dyz 0.000852 -0.010949 0.001653 0.000140 0.005154 -0.003254 5C 1dx2y2 0.002242 -0.019941 0.017818 0.019659 -0.038768 0.020898 5C 1dxy -0.017629 -0.000343 -0.018297 0.014898 0.020870 0.018205 5C 2dz2 -0.061414 -0.283510 -0.616687 0.048855 -0.118907 0.055954 5C 2dxz -0.267908 -0.181491 -0.257901 0.008358 -0.155770 0.276842 5C 2dyz -0.202221 -0.051252 0.013697 0.013478 -0.128601 0.212064 5C 2dx2y2 0.471448 0.420663 0.262906 -0.399803 0.187533 -0.226921 5C 2dxy -0.253854 -0.208835 0.116339 0.289843 0.069090 -0.400576 5C 1f0 -0.001428 -0.002651 -0.002257 0.007213 -0.010040 0.009654 5C 1f+1 -0.011247 -0.024993 -0.009255 -0.002939 -0.038818 0.034614 5C 1f-1 0.016875 0.010445 0.001624 0.023857 -0.021796 -0.021363 5C 1f+2 0.018207 0.009710 0.013009 0.007456 0.010528 -0.031134 5C 1f-2 0.040402 0.012191 0.033470 -0.003410 0.001154 -0.049455 5C 1f+3 -0.031699 -0.044155 -0.004225 0.038892 -0.040816 0.024983 5C 1f-3 0.025601 0.028209 0.011094 -0.035826 0.032787 -0.019164 6C 1s -0.002766 0.003349 -0.003817 -0.005991 -0.010216 0.003380 6C 2s -0.007694 0.009965 -0.010604 -0.021199 -0.033184 0.010936 6C 3s -0.293862 0.427569 -0.301222 0.007197 -0.068218 -0.248735 6C 4s 2.147889 -2.822571 2.388389 0.893890 1.914655 1.116442 6C 5s 1.059427 -1.020512 1.328288 1.129843 0.889466 1.526417 6C 1pz 0.011734 -0.006597 0.023636 -0.080627 -0.042743 0.048298 6C 1px -0.029112 0.061082 0.083654 0.122068 -0.120383 -0.019591 6C 1py -0.013059 0.029158 0.026236 0.053422 0.036194 -0.039539 6C 2pz -0.402253 0.348372 -0.520763 0.114390 -0.096619 -0.277358 6C 2px 0.360516 0.287500 -0.415484 -0.936944 -0.162991 0.339614 6C 2py 0.424338 -0.712584 0.752379 0.207335 0.417447 0.257103 6C 3pz -0.344613 0.518603 -0.708239 -0.186800 0.616768 -0.332712 6C 3px 0.294262 0.379453 -0.373429 -0.648831 -0.017219 -0.025696 6C 3py 0.314669 -0.885454 1.432435 0.594786 -0.871352 0.184566 6C 1dz2 0.011912 -0.020187 -0.010993 0.000241 0.012918 0.006241 6C 1dxz -0.004219 0.004656 0.011585 0.019637 -0.011428 0.004411 6C 1dyz 0.004172 0.009528 0.002724 -0.000784 0.004988 -0.009910 6C 1dx2y2 0.007260 0.020388 0.018593 -0.014884 -0.039360 0.008724 6C 1dxy -0.016899 0.003345 -0.017690 -0.016936 0.018840 -0.010209 6C 2dz2 0.003648 0.315302 -0.618184 -0.036676 -0.110515 0.028817 6C 2dxz -0.225148 0.255364 -0.247114 0.007179 -0.145066 -0.079939 6C 2dyz -0.180348 0.106588 0.027161 -0.005245 -0.137678 -0.273499 6C 2dx2y2 0.375722 -0.538683 0.258926 0.375943 0.194118 -0.129113 6C 2dxy -0.199037 0.256450 0.117268 -0.304215 0.061346 0.113016 6C 1f0 0.001001 -0.003925 0.002078 0.006694 0.010861 0.009314 6C 1f+1 0.004945 -0.029495 0.008893 -0.007226 0.038691 0.018279 6C 1f-1 -0.013734 0.012324 -0.001120 0.021951 0.022306 -0.022958 6C 1f+2 -0.015064 0.014725 -0.011560 0.008364 -0.010706 -0.031412 6C 1f-2 -0.036470 0.022114 -0.032735 -0.003083 -0.002863 -0.031047 6C 1f+3 0.021083 -0.053161 0.002935 0.034344 0.042143 -0.003244 6C 1f-3 -0.019073 0.036010 -0.010101 -0.032095 -0.033706 0.010185 7C 1s -0.000417 -0.001829 -0.009992 -0.000014 0.001423 -0.006575 7C 2s -0.001426 -0.002201 -0.031673 0.003909 0.008432 -0.021231 7C 3s -0.212103 -0.157974 -0.226691 0.041596 -0.284788 -0.201727 7C 4s 1.440799 0.864488 2.784285 -0.539138 1.457935 2.197325 7C 5s 1.086571 -0.750523 1.548720 -2.053399 0.446197 1.110922 7C 1pz -0.039801 -0.018033 -0.004519 -0.033206 0.014213 -0.048309 7C 1px 0.187528 -0.130276 -0.028330 0.026171 -0.016153 -0.101362 7C 1py 0.040115 0.065852 -0.030594 -0.018984 0.070886 -0.092963 7C 2pz -0.238746 -0.100408 -0.869244 0.411658 -0.465566 -0.330178 7C 2px -0.353968 0.385766 0.156976 -0.701237 0.060937 0.022877 7C 2py -0.322620 -0.301466 -0.352727 -0.015539 -0.423244 -0.104282 7C 3pz -0.036519 -0.832564 -0.107624 -0.461355 -2.030136 -0.666039 7C 3px 0.173688 0.085350 0.153000 -0.323241 -0.156453 -0.191144 7C 3py -0.028976 -0.431701 0.086003 -0.246036 -1.150295 -0.337498 7C 1dz2 -0.018492 -0.010550 0.019433 -0.012853 -0.029725 0.022270 7C 1dxz 0.048141 -0.026187 0.008835 -0.028844 -0.012641 -0.004730 7C 1dyz 0.004877 -0.016074 -0.009676 -0.031420 0.001318 -0.004668 7C 1dx2y2 -0.003404 0.019187 -0.010704 0.029109 0.029295 -0.019746 7C 1dxy 0.033343 -0.024975 0.004567 -0.014049 0.008294 -0.021491 7C 2dz2 -0.365249 0.088067 -0.027328 -0.498658 0.023837 -0.000150 7C 2dxz -0.052823 -0.064622 -0.265265 0.537015 0.191736 -0.224356 7C 2dyz 0.126491 -0.238672 -0.002157 -0.146142 -0.047725 0.170328 7C 2dx2y2 0.192855 0.277624 0.485066 0.173589 0.371119 0.214254 7C 2dxy 0.094973 0.371591 0.225167 0.349169 0.424459 0.092014 7C 1f0 -0.000010 -0.040854 0.032958 -0.007771 -0.008968 0.042292 7C 1f+1 0.021251 -0.021753 0.034825 0.007651 -0.019379 0.059997 7C 1f-1 0.008558 -0.004319 0.027288 -0.013514 -0.006604 0.003693 7C 1f+2 -0.046043 -0.022584 -0.019295 0.052407 -0.018791 0.001319 7C 1f-2 0.019999 0.002484 0.018808 -0.016789 -0.000536 -0.007047 7C 1f+3 -0.015885 0.021702 -0.016474 0.029153 0.010881 0.012210 7C 1f-3 -0.012485 0.035995 0.038183 -0.007917 -0.012208 0.022031 8C 1s 0.001045 -0.002812 0.004025 0.005611 0.000662 0.005519 8C 2s 0.004317 -0.008047 0.014608 0.020442 -0.000371 0.022065 8C 3s 0.022674 0.040753 -0.164895 -0.196216 0.026600 -0.155283 8C 4s -0.202840 -0.027636 0.504297 0.381752 -0.121813 0.050028 8C 5s -0.114764 -0.801930 0.524767 -0.163891 -1.007039 -0.923177 8C 1pz 0.005432 0.011272 -0.126510 0.120703 0.037377 0.029862 8C 1px 0.147265 -0.146975 0.003134 0.041967 -0.007358 0.015958 8C 1py 0.080326 -0.007364 -0.140040 -0.028643 0.027096 -0.047555 8C 2pz -0.015784 -0.014915 0.184467 -0.390664 -0.068416 -0.000946 8C 2px -0.305617 0.392727 -0.004221 -0.124978 0.012894 0.069863 8C 2py -0.240236 0.043394 0.523989 0.072450 -0.183617 0.051485 8C 3pz 0.085779 0.112070 -0.231669 0.015640 0.048248 0.242954 8C 3px 0.150249 -0.154764 -0.121279 0.126913 0.185334 0.081444 8C 3py -0.004742 -0.169959 0.079234 -0.015170 -0.234105 -0.197570 8C 1dz2 -0.000477 0.003685 -0.008833 0.011793 0.006071 -0.027534 8C 1dxz -0.032808 0.031411 0.004356 0.007083 -0.006761 -0.003107 8C 1dyz -0.003509 0.017138 -0.018634 -0.030950 -0.021580 0.007707 8C 1dx2y2 -0.020864 0.004235 0.009605 -0.008085 0.014454 -0.028586 8C 1dxy -0.007376 0.002906 0.013245 0.001128 0.000134 -0.023285 8C 2dz2 0.004086 0.052078 -0.116146 0.063538 0.042907 0.034132 8C 2dxz 0.247872 -0.207834 -0.037621 0.086480 -0.001633 -0.011366 8C 2dyz 0.127245 -0.134342 0.154936 -0.014484 0.020824 0.003000 8C 2dx2y2 0.185958 -0.063841 -0.255889 0.039220 0.005139 0.077275 8C 2dxy -0.039780 0.154456 -0.130797 -0.052047 -0.015365 0.125965 8C 1f0 0.032804 -0.006679 0.004103 0.021118 -0.018182 0.043163 8C 1f+1 0.002956 0.013977 0.005195 0.011060 -0.020256 0.024832 8C 1f-1 -0.001948 0.006948 0.029442 0.020207 0.000706 0.020894 8C 1f+2 -0.024795 0.018117 -0.021126 -0.040334 -0.003013 -0.060717 8C 1f-2 -0.026306 -0.000095 -0.020867 -0.034536 0.023438 -0.053014 8C 1f+3 0.018125 -0.018203 -0.010921 -0.004695 0.007712 -0.000958 8C 1f-3 0.022583 -0.023035 0.001900 -0.000696 0.010030 0.007771 9C 1s 0.001964 -0.005193 0.002313 -0.009686 0.002217 0.004694 9C 2s 0.006897 -0.020174 0.007474 -0.037144 0.011074 0.013293 9C 3s -0.054051 0.188560 -0.052271 0.307695 -0.109740 -0.066859 9C 4s 0.144090 -0.263609 0.126229 -0.348287 0.241707 -0.094336 9C 5s -0.659538 1.950101 -0.647502 2.510485 1.604361 0.322367 9C 1pz -0.014623 0.004528 0.006735 -0.157574 0.047418 0.035934 9C 1px -0.014143 0.087105 0.061594 0.068772 0.197503 -0.061595 9C 1py 0.072908 -0.230305 -0.020203 -0.036940 -0.078676 0.053541 9C 2pz -0.012843 -0.097868 -0.066490 0.309429 -0.272933 0.105218 9C 2px 0.144771 -0.324395 -0.093246 -0.353886 -0.538968 0.218824 9C 2py -0.209876 0.533776 0.004024 -0.041610 0.117879 -0.077184 9C 3pz 0.101823 -0.343028 0.173602 -0.630948 -0.324696 -0.016175 9C 3px 0.065135 -0.010887 0.100263 0.050783 -0.076507 0.026411 9C 3py 0.150246 -0.468168 0.003571 -0.400890 -0.311012 -0.057856 9C 1dz2 0.024214 -0.000051 -0.009801 -0.032999 0.000568 -0.012948 9C 1dxz 0.008030 -0.037242 -0.013336 -0.065608 -0.021361 -0.028442 9C 1dyz 0.006081 -0.029223 0.018915 -0.024375 -0.003193 0.029626 9C 1dx2y2 -0.000690 0.041867 -0.006087 0.027401 0.020871 -0.001289 9C 1dxy -0.015230 -0.012072 0.020198 -0.037895 -0.005549 0.005330 9C 2dz2 -0.098932 0.140686 0.030555 -0.048939 0.076350 -0.021178 9C 2dxz -0.041270 0.293545 0.152440 0.340970 0.378437 0.015788 9C 2dyz -0.004699 -0.070178 -0.063401 0.062153 -0.112318 -0.042904 9C 2dx2y2 -0.134101 0.075593 0.008567 -0.091299 -0.007650 0.005908 9C 2dxy 0.052561 0.070026 -0.044981 0.215727 0.107966 -0.074706 9C 1f0 0.003555 -0.040397 0.026608 -0.056564 -0.011394 0.003924 9C 1f+1 0.024433 -0.006808 -0.006685 -0.003526 -0.005596 -0.002369 9C 1f-1 -0.016808 0.013470 -0.002888 0.016029 0.012626 0.025432 9C 1f+2 -0.041978 0.065957 -0.004056 0.101105 -0.006354 0.005303 9C 1f-2 0.015062 -0.026579 0.024950 -0.060269 0.037566 0.013251 9C 1f+3 -0.029288 0.053198 -0.013283 0.093210 -0.026321 0.005202 9C 1f-3 0.016398 -0.015668 -0.008483 -0.013272 -0.029539 -0.012681 10H 1s -0.156503 -0.175807 -0.039763 -0.308994 -0.037259 -0.007364 10H 2s 0.388962 0.277702 0.123656 0.533876 0.150001 -0.093742 10H 3s 0.009394 -0.072221 0.106944 -0.141355 -0.036070 -0.015426 10H 1pz 0.050565 0.063563 -0.032861 0.030857 -0.115488 -0.023379 10H 1px -0.038771 0.049879 -0.061869 0.046660 -0.155629 0.012601 10H 1py -0.073470 -0.078258 0.002537 0.050296 -0.003640 -0.019768 11H 1s 0.017700 -0.047395 -0.073511 -0.091458 -0.066351 0.077206 11H 2s -0.055405 0.048110 0.026073 0.287603 0.230211 -0.002307 11H 3s 0.203437 0.315944 -0.079473 0.227666 -0.096745 0.208149 11H 1pz -0.068665 -0.151121 0.001454 -0.114846 0.156483 -0.013143 11H 1px -0.034827 0.008665 -0.041239 0.081074 -0.088912 0.015662 11H 1py -0.127336 -0.188382 0.031339 -0.075902 0.102190 -0.053890 12H 1s -0.049215 -0.013707 0.016463 -0.080492 -0.083936 0.025913 12H 2s 0.075156 0.213663 0.021874 0.207304 0.157173 -0.124686 12H 3s -0.023626 0.034646 0.113090 0.273332 -0.028359 0.084206 12H 1pz 0.069693 0.074209 -0.004412 -0.143164 -0.037976 -0.030287 12H 1px 0.028371 0.097259 -0.056190 0.058030 -0.171168 -0.009877 12H 1py -0.051122 -0.028834 0.036992 -0.060693 0.081905 -0.049901 13H 1s -0.026221 0.053726 -0.059137 0.060669 0.112516 0.106356 13H 2s 0.134268 -0.049753 0.214004 -0.244124 -0.173367 -0.233265 13H 3s 0.123192 0.087685 0.025151 -0.031837 0.179784 0.008383 13H 1pz -0.064793 -0.020859 0.109906 0.009225 -0.018222 -0.014694 13H 1px -0.179375 -0.062227 -0.029005 0.031196 0.029468 -0.029491 13H 1py 0.026447 0.034825 0.104977 0.033801 -0.022028 0.061029 14H 1s -0.130323 -0.059085 -0.002121 0.058735 -0.004849 0.050600 14H 2s 0.194989 0.108752 0.013864 -0.190148 0.027573 -0.038096 14H 3s -0.310903 -0.228187 0.161311 0.058928 0.006896 -0.045761 14H 1pz 0.075842 0.065829 0.084573 0.015650 -0.010139 0.065744 14H 1px -0.078498 -0.033402 -0.057611 -0.028519 0.026883 -0.019991 14H 1py -0.098755 -0.062741 0.122830 0.075920 -0.028857 -0.024250 15H 1s 0.004397 -0.012151 -0.072724 0.079935 -0.023945 0.023745 15H 2s -0.005222 -0.018767 0.127114 -0.025896 -0.094871 -0.062686 15H 3s 0.044395 -0.104903 -0.121761 -0.029621 -0.044537 0.022250 15H 1pz -0.025753 0.049449 0.157603 0.050079 -0.010718 0.047883 15H 1px -0.159436 -0.049687 0.040996 0.041162 0.006081 -0.034328 15H 1py -0.042179 -0.041360 -0.059544 -0.069458 0.041836 -0.015482 16H 1s 0.059299 -0.004435 0.093855 -0.081294 0.029054 0.009087 16H 2s -0.140179 0.011091 -0.284085 0.257442 -0.086921 -0.081091 16H 3s 0.152717 0.039900 0.211679 -0.196057 0.045413 0.151413 16H 1pz -0.009726 -0.008834 -0.054432 0.035544 -0.051948 0.038596 16H 1px -0.188849 -0.105598 -0.168649 0.033299 0.106886 -0.345949 16H 1py -0.211959 -0.107690 -0.233157 0.104105 0.046891 -0.337270 17H 1s 0.030883 -0.008987 0.102264 -0.092681 -0.043328 -0.019513 17H 2s -0.086640 0.019956 -0.288773 0.304306 0.134346 0.047915 17H 3s 0.074616 0.033219 0.181871 -0.227972 0.046861 -0.045047 17H 1pz -0.022303 -0.020912 0.017940 -0.118274 0.087249 -0.003411 17H 1px 0.009573 -0.084573 0.118456 0.109978 -0.293451 -0.004902 17H 1py 0.001521 -0.082415 -0.027852 0.272932 -0.181238 -0.003647 18H 1s 0.033959 0.001816 0.103789 0.093691 -0.034991 -0.090882 18H 2s -0.092771 -0.000532 -0.290032 -0.306927 0.108367 0.260936 18H 3s 0.066329 -0.052574 0.181829 0.219846 0.065218 -0.023341 18H 1pz 0.014077 -0.021419 -0.021481 -0.119535 -0.103437 -0.090842 18H 1px -0.028889 -0.093975 -0.120290 0.090648 0.304136 0.283198 18H 1py -0.017074 -0.090989 0.024900 0.260054 0.203152 0.172523 19H 1s 0.058580 -0.015963 0.095708 0.074516 0.034281 -0.180698 19H 2s -0.138699 0.042361 -0.289920 -0.239809 -0.103721 0.561353 19H 3s 0.137593 -0.088668 0.211498 0.190451 0.054121 -0.293951 19H 1pz 0.003918 -0.016886 0.051941 0.021861 0.054385 -0.178726 19H 1px 0.153595 -0.144220 0.163967 0.046762 -0.115871 -0.112667 19H 1py 0.179328 -0.157020 0.234391 0.109223 -0.053265 -0.264864 20H 1s 0.010726 0.014474 -0.071209 -0.078737 -0.031428 -0.046520 20H 2s -0.011478 0.021977 0.123029 0.039999 -0.080592 0.225866 20H 3s 0.061886 0.099763 -0.127701 0.038287 -0.031443 0.120951 20H 1pz 0.035270 0.045284 -0.160429 0.049245 0.019853 0.061694 20H 1px 0.144000 -0.084367 -0.043027 0.044114 -0.008416 0.015319 20H 1py 0.034041 -0.050196 0.061013 -0.064564 -0.050121 0.010763 21H 1s -0.107494 0.086054 0.002729 -0.060468 -0.011247 -0.110995 21H 2s 0.149886 -0.147994 -0.000246 0.192789 0.043180 0.184972 21H 3s -0.254500 0.291550 0.168380 -0.063842 0.017218 -0.014357 21H 1pz -0.058719 0.083678 -0.084026 0.012737 0.018111 0.018239 21H 1px 0.069803 -0.051539 0.058915 -0.024522 -0.032127 0.013593 21H 1py 0.086864 -0.084559 -0.123969 0.073931 0.027755 -0.031506 22H 1s -0.031519 -0.052283 -0.052479 -0.072018 0.097844 -0.141243 22H 2s 0.129433 0.021914 0.201730 0.263482 -0.138252 0.284504 22H 3s 0.101308 -0.121552 0.026806 0.014033 0.174596 -0.046379 22H 1pz 0.059421 -0.033493 -0.111804 0.008361 0.016370 0.000492 22H 1px 0.159901 -0.101476 0.027761 0.036144 -0.032772 0.019974 22H 1py -0.015878 0.040600 -0.103929 0.030471 0.026755 0.005263 23H 1s -0.042384 0.026757 0.015658 0.088250 -0.077650 -0.019227 23H 2s 0.022418 -0.233999 0.016027 -0.221293 0.133123 0.078741 23H 3s -0.034578 -0.038998 0.112400 -0.270595 -0.060391 -0.045270 23H 1pz -0.054491 0.080658 0.008267 -0.146437 0.023546 0.006019 23H 1px -0.006925 0.096792 0.060162 0.039785 0.180500 -0.055373 23H 1py 0.043600 -0.035375 -0.037413 -0.052570 -0.088208 -0.001065 24H 1s 0.027136 0.048197 -0.075810 0.096987 -0.061213 -0.075959 24H 2s -0.067989 -0.050653 0.031537 -0.310527 0.200304 -0.047125 24H 3s 0.127265 -0.348879 -0.093173 -0.217437 -0.145767 -0.096717 24H 1pz 0.033656 -0.157478 -0.006013 -0.098511 -0.172954 0.072285 24H 1px 0.036004 0.002018 0.041061 0.071329 0.098487 -0.017546 24H 1py 0.082651 -0.205412 -0.037525 -0.064674 -0.115812 0.000613 25H 1s -0.110626 0.210422 -0.034665 0.315003 0.003057 0.066141 25H 2s 0.315045 -0.366532 0.119190 -0.552217 0.088540 0.012340 25H 3s 0.025301 0.067874 0.108533 0.145488 -0.021485 0.026628 25H 1pz -0.037026 0.068512 0.035487 0.019547 0.117531 -0.055400 25H 1px 0.047214 0.037308 0.064756 0.030169 0.162651 -0.038495 25H 1py 0.054980 -0.089624 -0.005630 0.049796 0.007347 -0.030204 26O 1s 0.002223 -0.004120 0.000187 -0.007915 -0.000267 0.000698 26O 2s 0.004757 -0.011063 0.000851 -0.019567 -0.000459 0.001577 26O 3s 0.016247 0.017276 0.004252 0.008029 -0.006112 -0.021535 26O 4s -0.170756 0.237391 0.053960 0.563748 0.111597 0.077994 26O 5s -0.977751 0.200104 -1.580270 0.044295 -1.748688 1.742539 26O 1pz -0.058712 -0.069301 -0.007457 -0.035150 -0.031951 -0.020068 26O 1px -0.029708 -0.028251 0.065667 0.012027 0.056320 -0.074209 26O 1py -0.007947 -0.044069 -0.000063 -0.064750 -0.004461 -0.014370 26O 2pz 0.087479 0.036641 0.077234 0.072500 0.069041 -0.083376 26O 2px 0.237904 -0.094551 0.101458 -0.238896 0.106015 -0.155855 26O 2py 0.119076 -0.032689 0.096829 0.007005 0.083001 -0.113454 26O 3pz -0.196617 -0.234388 -0.174350 -0.070680 -0.696506 -0.039706 26O 3px 0.180044 -0.395737 0.833260 -0.249485 0.571479 -0.966601 26O 3py -0.083515 0.024364 0.262615 -0.343926 -0.079477 -0.539874 26O 1dz2 -0.005472 -0.002966 -0.000926 0.001715 -0.006789 0.004550 26O 1dxz -0.003388 -0.005896 0.003164 -0.003862 -0.000645 -0.000112 26O 1dyz -0.004046 -0.001110 -0.002207 -0.008819 -0.003177 0.001582 26O 1dx2y2 0.005832 0.000743 0.001743 0.002726 0.002458 0.004253 26O 1dxy 0.004098 -0.002458 -0.002275 -0.005813 0.002489 0.002153 26O 2dz2 0.038666 -0.003580 0.075701 -0.068354 -0.143551 -0.134877 26O 2dxz -0.038566 0.057167 0.027286 -0.015991 0.153985 0.076049 26O 2dyz -0.108412 -0.062126 -0.088193 -0.149613 0.012909 0.020428 26O 2dx2y2 0.108104 0.179102 -0.137331 0.009107 -0.132469 0.222538 26O 2dxy 0.059361 0.027965 -0.262218 0.027151 -0.042782 0.267484 26O 1f0 -0.002962 0.000376 -0.003251 -0.003584 -0.000117 -0.003796 26O 1f+1 0.001216 0.009151 -0.002693 0.001853 -0.003576 0.000380 26O 1f-1 0.001518 0.002893 -0.001509 0.006628 -0.001667 -0.005267 26O 1f+2 0.001713 0.002171 -0.001517 -0.002452 -0.003500 0.002199 26O 1f-2 0.006822 -0.001297 0.001893 0.005190 0.003574 -0.000338 26O 1f+3 0.000032 0.002817 -0.000706 0.005579 -0.002321 0.001570 26O 1f-3 -0.015847 -0.004052 0.000312 0.005368 0.000461 0.003425 27O 1s -0.000952 0.002596 0.001048 -0.002962 0.001597 0.000883 27O 2s -0.002262 0.007087 0.002352 -0.007015 0.004975 0.002071 27O 3s 0.015610 0.003804 0.009110 -0.016767 -0.013261 -0.011557 27O 4s 0.006347 -0.208795 0.018169 0.241000 0.023390 -0.031769 27O 5s -1.524738 -1.352982 -2.456729 1.551705 -0.813571 0.684990 27O 1pz 0.024668 -0.007109 -0.048654 0.042531 -0.000107 0.005277 27O 1px 0.054917 0.048565 0.063462 -0.025705 0.062773 -0.034644 27O 1py 0.068342 0.035178 -0.020817 -0.070410 -0.009222 0.010644 27O 2pz 0.000339 -0.011968 0.057206 -0.002375 -0.010177 -0.041845 27O 2px 0.159675 0.226234 0.239290 -0.256176 -0.001991 -0.041792 27O 2py -0.136996 -0.104039 -0.098799 0.117876 -0.009486 0.051778 27O 3pz -0.215074 0.077736 -0.308171 -0.046606 0.147326 0.073155 27O 3px 0.688793 1.031822 0.930126 -1.012535 1.014089 -0.435952 27O 3py 0.369889 -0.062470 0.338626 0.161498 -0.395766 0.379520 27O 1dz2 0.001743 0.004051 -0.001212 -0.001741 0.003462 0.001085 27O 1dxz 0.001639 -0.000374 -0.001803 0.000409 0.002296 0.001968 27O 1dyz 0.004666 0.002814 0.002349 0.000384 0.000933 -0.003555 27O 1dx2y2 0.005664 0.002091 0.004392 -0.003518 -0.004947 0.003925 27O 1dxy 0.001839 0.000799 -0.001860 -0.001056 -0.002342 -0.002347 27O 2dz2 0.076876 0.223481 0.252191 -0.070209 0.205376 -0.077653 27O 2dxz 0.036944 0.014961 0.009285 -0.015560 0.016042 -0.010499 27O 2dyz 0.163325 0.058668 0.054169 -0.006923 0.059414 -0.014346 27O 2dx2y2 -0.153637 -0.222313 -0.075636 0.221120 -0.316777 0.148744 27O 2dxy -0.013512 0.018093 0.008216 -0.045683 0.095354 -0.197235 27O 1f0 0.001411 0.000658 0.000438 0.001258 0.001954 0.004291 27O 1f+1 -0.006305 -0.004311 -0.000481 0.011223 0.002583 -0.000035 27O 1f-1 0.002930 0.002077 0.000933 -0.002612 -0.001565 0.001475 27O 1f+2 -0.000970 -0.003245 -0.001844 0.001773 -0.002916 0.002441 27O 1f-2 0.000685 -0.000552 -0.004923 0.002528 0.002629 0.002905 27O 1f+3 0.003260 -0.000554 -0.007755 0.000455 0.001021 -0.000173 27O 1f-3 -0.002024 0.000929 0.009947 -0.002079 -0.002438 -0.003370 28O 1s -0.005376 -0.005497 0.002594 -0.001766 0.000014 -0.003065 28O 2s -0.013726 -0.013952 0.006665 -0.005177 -0.000230 -0.008376 28O 3s 0.030499 0.023236 0.004174 0.049897 -0.002089 0.014545 28O 4s 0.244931 0.136465 -0.066467 -0.217306 0.189003 0.069626 28O 5s -0.899303 0.796636 -2.031535 -1.089254 -1.801353 1.297605 28O 1pz 0.023975 -0.040388 0.032979 -0.124006 0.052889 -0.037726 28O 1px -0.010198 0.000746 -0.062490 -0.075213 -0.026397 0.044717 28O 1py -0.034517 -0.071643 0.013379 -0.073792 0.033297 -0.000640 28O 2pz -0.036579 -0.037781 0.181334 0.237543 0.042727 -0.100656 28O 2px 0.083494 0.104831 -0.131855 -0.165844 -0.015125 0.057527 28O 2py 0.035653 0.010798 0.025646 0.062334 0.018605 -0.023509 28O 3pz 0.497386 -0.495349 0.650933 0.245144 0.109971 -0.516711 28O 3px -0.581706 0.364947 -1.068445 -0.680412 -0.787009 0.664767 28O 3py -0.157738 -0.162968 0.209471 -0.097858 -0.075425 -0.309234 28O 1dz2 0.001674 -0.009682 -0.000005 -0.004979 0.005327 0.003139 28O 1dxz 0.003925 -0.000955 -0.002518 -0.001956 -0.001781 0.000429 28O 1dyz -0.001416 -0.003015 0.000043 -0.010541 0.005056 -0.003399 28O 1dx2y2 -0.003845 -0.002335 -0.003345 0.003203 -0.003936 0.003268 28O 1dxy -0.006027 -0.001972 -0.000750 -0.000153 0.001025 -0.000710 28O 2dz2 -0.131658 -0.037557 -0.037634 0.137485 0.037237 0.103113 28O 2dxz 0.210206 -0.084409 0.252532 0.080862 0.000191 -0.207856 28O 2dyz -0.060240 0.146795 -0.137745 -0.017973 -0.087803 0.044231 28O 2dx2y2 -0.051886 -0.007465 -0.260944 -0.181934 -0.170217 0.133194 28O 2dxy -0.225964 -0.173585 0.097162 -0.049435 0.070940 -0.116842 28O 1f0 -0.001013 0.005425 -0.001877 -0.000175 -0.003060 -0.002666 28O 1f+1 0.007618 0.005239 -0.006034 -0.001155 -0.002393 0.001830 28O 1f-1 -0.006668 0.000462 0.002509 0.005821 -0.002086 -0.001997 28O 1f+2 -0.003933 -0.006206 0.005505 0.001541 0.007562 -0.001445 28O 1f-2 0.004401 0.002576 0.000973 0.000139 -0.001342 0.001317 28O 1f+3 -0.000890 -0.000284 0.003763 0.003980 -0.000764 -0.001764 28O 1f-3 -0.000118 -0.000817 0.001824 0.002770 -0.001625 0.001006 29O 1s -0.000487 0.000897 0.000541 -0.004178 -0.000863 0.002538 29O 2s -0.001076 0.002323 0.004292 -0.014280 -0.003104 0.007043 29O 3s -0.010250 -0.007014 -0.087308 0.120218 0.024253 -0.031320 29O 4s 0.021360 -0.051494 0.253346 -0.196568 -0.097510 -0.068429 29O 5s 0.298798 0.177828 0.349118 -0.448635 0.279236 0.369218 29O 1pz 0.005437 -0.005532 0.001664 -0.007747 0.040915 -0.005775 29O 1px -0.016400 0.010326 -0.042915 -0.008729 0.008796 0.037112 29O 1py 0.039501 0.030141 0.036767 -0.078580 -0.017096 0.032509 29O 2pz -0.090719 -0.050517 -0.071602 0.013945 -0.087838 -0.100286 29O 2px 0.031294 0.018784 0.108582 -0.140929 -0.011371 0.035297 29O 2py -0.070968 -0.025400 -0.148211 0.182016 0.022591 -0.039377 29O 3pz 0.162850 0.085855 0.120376 -0.056327 -0.023504 0.183552 29O 3px -0.082394 -0.108022 -0.138685 0.269197 -0.110679 -0.145816 29O 3py 0.097023 0.134856 0.061030 -0.126199 0.105994 0.108286 29O 1dz2 -0.001263 -0.002653 -0.001038 0.001040 -0.000009 -0.005324 29O 1dxz 0.003492 -0.001230 0.001450 0.004106 0.000459 -0.000620 29O 1dyz 0.000376 -0.001793 0.000274 -0.000452 -0.000388 0.000382 29O 1dx2y2 -0.001405 0.000353 -0.002073 -0.000610 -0.001736 0.004327 29O 1dxy -0.000386 0.001642 -0.000416 -0.002117 0.000344 0.001399 29O 2dz2 0.093332 0.018717 0.115886 0.016632 -0.135705 0.132606 29O 2dxz -0.193790 -0.085602 -0.199394 0.009010 0.160491 -0.364897 29O 2dyz -0.122077 -0.021788 -0.152014 -0.061177 0.209345 -0.188106 29O 2dx2y2 0.106798 0.179793 0.055802 -0.308788 0.247839 0.228242 29O 2dxy -0.065028 -0.026140 -0.027755 0.006420 0.004045 -0.091891 29O 1f0 -0.004499 0.001357 -0.011616 0.008433 0.000448 0.001652 29O 1f+1 -0.001514 -0.002740 0.002825 -0.004196 -0.000181 -0.005254 29O 1f-1 -0.010437 -0.003384 -0.017260 0.014373 -0.004405 -0.008497 29O 1f+2 0.002794 -0.000706 0.005402 0.000224 -0.001865 0.000522 29O 1f-2 0.000701 0.001261 -0.009472 0.012468 0.004681 0.000614 29O 1f+3 0.000033 -0.000252 0.003030 -0.004198 -0.000119 -0.002200 29O 1f-3 0.000785 -0.001219 0.004335 -0.006181 -0.002887 -0.000218 30O 1s 0.002519 0.002755 -0.000473 0.005338 0.003002 -0.000208 30O 2s 0.006361 0.007259 -0.000719 0.012762 0.007592 -0.000235 30O 3s 0.003832 -0.006456 -0.000968 -0.006435 -0.000905 -0.034062 30O 4s -0.025306 -0.106896 0.176469 -0.335188 -0.144494 0.215880 30O 5s -1.969124 -0.668739 -2.392382 0.448614 -0.535741 1.395132 30O 1pz -0.032880 -0.011818 0.064447 -0.005926 -0.005747 -0.005342 30O 1px -0.039754 -0.013410 -0.049821 0.058042 -0.035405 0.058582 30O 1py -0.079923 -0.053994 -0.016923 0.013727 -0.011017 -0.035045 30O 2pz 0.162993 0.119461 0.051122 0.037035 0.101762 -0.151170 30O 2px -0.096981 -0.064303 -0.034000 -0.157892 -0.083545 0.135367 30O 2py -0.084333 -0.072611 -0.120432 0.010818 -0.107178 0.184968 30O 3pz 0.314507 0.251094 0.681496 0.010023 0.203655 -0.466396 30O 3px -0.828349 -0.293177 -1.092960 0.266210 -0.294689 0.683460 30O 3py -0.823723 -0.344919 -0.182250 -0.008702 -0.186643 0.687640 30O 1dz2 -0.002477 -0.001267 0.003668 -0.005591 -0.002369 0.001578 30O 1dxz -0.001767 -0.000404 0.004119 -0.001823 -0.001301 0.001849 30O 1dyz -0.000475 0.002133 -0.001765 -0.005598 0.000819 -0.006712 30O 1dx2y2 -0.006237 -0.001225 -0.002566 -0.003084 0.001445 0.000566 30O 1dxy -0.001489 -0.001974 0.003795 0.000298 0.002122 -0.002424 30O 2dz2 0.162516 0.046480 0.035883 -0.158585 -0.015132 -0.017967 30O 2dxz 0.011103 0.064045 0.364712 -0.042078 0.104609 -0.148274 30O 2dyz 0.201373 0.122251 0.205941 -0.139974 0.100419 -0.188212 30O 2dx2y2 -0.006388 -0.008310 -0.080723 0.028837 -0.032836 0.082081 30O 2dxy -0.293614 -0.098024 0.046495 0.105672 -0.090421 0.192867 30O 1f0 -0.004691 -0.005846 0.000916 -0.000819 -0.004976 0.006533 30O 1f+1 -0.002911 -0.001900 0.000967 0.001706 0.001069 -0.001374 30O 1f-1 -0.004913 -0.005706 0.003175 -0.001297 -0.004663 0.003230 30O 1f+2 0.001968 -0.004794 0.001583 0.002361 -0.003371 0.000356 30O 1f-2 0.008223 0.005258 0.002637 0.008672 0.004797 -0.001228 30O 1f+3 0.000329 -0.002084 0.001076 -0.002590 -0.004136 -0.003044 30O 1f-3 0.007499 0.004594 0.003987 0.006266 0.001315 -0.002277 31O 1s 0.001961 -0.003481 -0.000525 -0.005670 0.002302 0.000609 31O 2s 0.004880 -0.009126 -0.000844 -0.013618 0.005882 0.001409 31O 3s 0.004819 0.006119 -0.001692 0.006649 0.000728 0.013241 31O 4s -0.007797 0.113141 0.184121 0.355093 -0.109338 -0.084438 31O 5s -1.751814 1.217957 -2.351401 -0.423541 -0.558394 -1.068889 31O 1pz 0.027784 -0.016611 -0.066887 -0.004895 0.005214 0.035642 31O 1px 0.033774 -0.026186 0.047455 0.054823 0.041777 0.043833 31O 1py 0.068357 -0.072031 0.017099 0.013157 0.006051 -0.047495 31O 2pz -0.130246 0.161312 -0.043605 0.045547 -0.095478 -0.124305 31O 2px 0.081527 -0.091540 0.029092 -0.166777 0.067277 0.083905 31O 2py 0.063260 -0.101025 0.114203 -0.000120 0.108357 0.113387 31O 3pz -0.257269 0.354157 -0.676809 0.036199 -0.187457 -0.121819 31O 3px 0.734940 -0.528748 1.071358 0.253806 0.317496 0.613344 31O 3py 0.740706 -0.546280 0.170973 -0.036609 0.169096 0.305689 31O 1dz2 -0.002069 0.001788 0.003688 0.005767 -0.001976 -0.004100 31O 1dxz -0.001487 0.000716 0.004246 0.001906 -0.001263 -0.002974 31O 1dyz -0.001152 -0.001914 -0.001993 0.005430 0.001654 0.004118 31O 1dx2y2 -0.005935 0.002651 -0.002626 0.002826 0.001782 -0.001186 31O 1dxy -0.001108 0.002074 0.003756 -0.000481 0.002321 0.002586 31O 2dz2 0.146726 -0.083510 0.028998 0.163117 -0.003080 0.038354 31O 2dxz -0.002075 -0.083864 0.365179 0.029279 0.105626 0.015281 31O 2dyz 0.168621 -0.178136 0.203878 0.129301 0.110460 0.046037 31O 2dx2y2 -0.000714 0.015167 -0.075983 -0.027997 -0.041640 -0.128480 31O 2dxy -0.268036 0.168907 0.050962 -0.092797 -0.092199 -0.020852 31O 1f0 0.003199 -0.007114 -0.001226 -0.001390 0.004664 0.003604 31O 1f+1 0.002485 -0.002436 -0.001007 0.001805 -0.001094 -0.001367 31O 1f-1 0.003433 -0.006801 -0.003441 -0.001692 0.004472 0.003901 31O 1f+2 -0.003108 -0.004346 -0.001733 0.001998 0.003405 0.000364 31O 1f-2 -0.006830 0.007409 -0.002384 0.009036 -0.003679 -0.003696 31O 1f+3 -0.000808 -0.002157 -0.001106 -0.002917 0.003706 -0.001658 31O 1f-3 -0.006261 0.006444 -0.003763 0.006259 -0.000586 -0.004070 32O 1s -0.000600 -0.000765 0.000566 0.004186 -0.000580 -0.005314 32O 2s -0.001296 -0.002082 0.004433 0.014227 -0.002128 -0.020056 32O 3s -0.010596 0.011056 -0.089394 -0.118043 0.016231 0.192162 32O 4s 0.037506 0.042017 0.261517 0.190115 -0.082674 -0.462335 32O 5s 0.247117 -0.267474 0.342216 0.434597 0.303372 -0.124145 32O 1pz -0.005285 -0.001737 -0.000793 -0.001525 -0.041090 0.040663 32O 1px 0.019623 0.006242 0.043657 -0.009089 -0.009694 -0.047293 32O 1py -0.031393 0.039007 -0.035815 -0.079288 0.011219 0.049461 32O 2pz 0.071648 -0.081387 0.068193 -0.003953 0.082180 -0.262977 32O 2px -0.030024 0.026036 -0.110476 -0.142092 0.002743 0.088941 32O 2py 0.065925 -0.045940 0.149920 0.178590 -0.008643 -0.181970 32O 3pz -0.133362 0.122797 -0.113455 -0.052294 0.032044 0.220737 32O 3px 0.058691 -0.132919 0.136404 0.262010 0.123302 -0.095717 32O 3py -0.065598 0.159227 -0.058988 -0.119411 -0.105967 -0.069973 32O 1dz2 -0.000544 0.002789 -0.000979 -0.001058 0.000285 0.004481 32O 1dxz 0.003545 0.000257 0.001448 -0.004255 0.000079 -0.003577 32O 1dyz 0.000734 0.001869 0.000192 0.000576 -0.000302 0.002145 32O 1dx2y2 -0.001444 0.000081 -0.002112 0.000677 -0.001810 -0.003435 32O 1dxy -0.000604 -0.001461 -0.000403 0.001993 0.000267 -0.002580 32O 2dz2 0.087652 -0.035816 0.119042 -0.008067 -0.150575 -0.174261 32O 2dxz -0.163762 0.121926 -0.196674 -0.025314 0.172967 0.215937 32O 2dyz -0.107705 0.034637 -0.146686 0.052289 0.225557 0.238503 32O 2dx2y2 0.067620 -0.216025 0.055755 0.294542 0.258240 0.129866 32O 2dxy -0.057126 0.040137 -0.029093 -0.006149 0.011035 -0.036208 32O 1f0 0.004249 0.000184 0.010805 0.007049 -0.000195 -0.018145 32O 1f+1 0.000488 -0.002963 -0.003646 -0.004717 -0.000309 0.003269 32O 1f-1 0.009453 -0.006718 0.017918 0.013962 0.005140 -0.026128 32O 1f+2 -0.003214 0.000313 -0.006390 -0.000417 0.002004 0.013653 32O 1f-2 -0.000142 0.001615 0.009383 0.012756 -0.003594 -0.001995 32O 1f+3 -0.000158 -0.000214 -0.002776 -0.003731 -0.000419 -0.001058 32O 1f-3 -0.001049 -0.001127 -0.004195 -0.006514 0.002121 -0.001606 33O 1s -0.003933 0.006480 0.002702 0.001903 0.000581 0.003789 33O 2s -0.010038 0.016478 0.006966 0.005574 0.001301 0.010917 33O 3s 0.023860 -0.029640 0.003115 -0.050195 -0.008305 -0.029286 33O 4s 0.206686 -0.188133 -0.063898 0.192716 0.199833 -0.051144 33O 5s -1.072900 -0.454406 -2.067306 1.239169 -1.807967 -1.198806 33O 1pz -0.033349 -0.032548 -0.033171 -0.116728 -0.066133 0.042621 33O 1px 0.011130 -0.003441 0.063795 -0.076864 0.023370 0.051042 33O 1py 0.018272 -0.076852 -0.016547 -0.070834 -0.043736 0.047760 33O 2pz 0.025899 -0.034932 -0.183554 0.234042 -0.030499 -0.165554 33O 2px -0.056919 0.112886 0.132932 -0.162043 0.007745 0.084779 33O 2py -0.033555 0.020993 -0.025602 0.063629 -0.013615 -0.046449 33O 3pz -0.603477 -0.370078 -0.659444 0.243392 -0.140730 -0.449050 33O 3px 0.660181 0.165679 1.085503 -0.738190 0.777254 0.771503 33O 3py 0.112599 -0.199393 -0.216537 -0.108752 0.044808 -0.150139 33O 1dz2 0.003729 0.009035 0.000140 0.004329 0.005907 -0.007276 33O 1dxz 0.003987 0.000477 -0.002530 0.001887 -0.001579 -0.003410 33O 1dyz -0.000644 0.003341 0.000034 0.010034 0.006299 -0.000545 33O 1dx2y2 -0.003270 0.003195 -0.003309 -0.002839 -0.004282 -0.001273 33O 1dxy -0.005454 0.003290 -0.000639 -0.000006 0.001208 -0.000615 33O 2dz2 -0.119876 0.063781 -0.035450 -0.138008 0.022986 -0.044494 33O 2dxz 0.227635 0.037985 0.253727 -0.079384 0.010808 0.118046 33O 2dyz -0.092537 -0.121268 -0.146800 0.024882 -0.096264 -0.064866 33O 2dx2y2 -0.052490 0.032068 -0.263819 0.194955 -0.160755 -0.160399 33O 2dxy -0.179754 0.214243 0.105115 0.042011 0.087624 -0.031043 33O 1f0 0.002143 0.004923 0.001929 -0.000569 0.002972 -0.004190 33O 1f+1 -0.006266 0.006561 0.006193 -0.001183 0.002673 0.001892 33O 1f-1 0.006597 -0.000891 -0.002568 0.005413 0.002290 -0.006465 33O 1f+2 0.002441 -0.006467 -0.005675 0.001988 -0.007744 -0.002527 33O 1f-2 -0.003733 0.003385 -0.000901 0.000017 0.001569 0.001770 33O 1f+3 0.000776 -0.000390 -0.003738 0.003662 0.000853 -0.003604 33O 1f-3 -0.000073 -0.000742 -0.001848 0.002637 0.002035 0.001446 34O 1s -0.001329 -0.002496 0.001150 0.002798 0.001709 -0.001054 34O 2s -0.003346 -0.006924 0.002585 0.006530 0.005202 -0.001558 34O 3s 0.014060 -0.006185 0.008846 0.017216 -0.011925 -0.021720 34O 4s 0.040630 0.201426 0.010586 -0.235411 0.014965 0.215754 34O 5s -1.159193 1.790447 -2.401204 -1.499915 -0.896068 -0.384102 34O 1pz -0.027654 -0.003147 0.047665 0.043016 0.005550 0.027354 34O 1px -0.042351 0.066350 -0.062471 -0.019774 -0.061709 0.001505 34O 1py -0.055894 0.048888 0.023855 -0.072715 0.004572 -0.043377 34O 2pz -0.001015 -0.010410 -0.055620 -0.003434 0.006973 -0.048828 34O 2px -0.107521 0.264588 -0.235767 -0.255062 -0.011985 0.043100 34O 2py 0.107877 -0.136649 0.093312 0.117402 0.015794 0.046190 34O 3pz 0.220688 0.023336 0.307469 -0.025018 -0.138487 0.204301 34O 3px -0.437229 1.249130 -0.902618 -0.922207 -1.056082 -0.245707 34O 3py -0.365917 0.011563 -0.329697 0.108352 0.417068 -0.002433 34O 1dz2 0.000783 -0.004509 -0.001328 0.001428 0.003252 -0.001175 34O 1dxz 0.001756 -0.000049 -0.001693 -0.000673 0.002059 -0.003646 34O 1dyz 0.003726 -0.003929 0.002096 -0.000413 0.000978 0.005641 34O 1dx2y2 0.004988 -0.003150 0.004282 0.004150 -0.004866 0.000086 34O 1dxy 0.001511 -0.000975 -0.002031 0.001257 -0.002154 0.002594 34O 2dz2 0.023264 -0.254411 0.247919 0.050146 0.200339 0.003170 34O 2dxz 0.029078 -0.024746 0.010009 0.014336 0.020838 0.054534 34O 2dyz 0.142929 -0.099990 0.046264 0.006105 0.058271 0.110283 34O 2dx2y2 -0.099925 0.275541 -0.070492 -0.188419 -0.324091 -0.000759 34O 2dxy -0.015205 -0.018883 0.008181 0.030387 0.101273 -0.035794 34O 1f0 -0.001244 0.001088 -0.000479 0.001373 -0.001627 0.002574 34O 1f+1 0.005319 -0.005578 0.000244 0.011526 -0.001780 -0.001315 34O 1f-1 -0.002436 0.002565 -0.000890 -0.002787 0.001529 0.002482 34O 1f+2 0.000134 -0.003588 0.001762 0.001523 0.003067 0.003319 34O 1f-2 -0.000834 -0.000390 0.004881 0.002759 -0.002204 0.003190 34O 1f+3 -0.003251 0.000039 0.007889 0.000508 -0.000832 -0.001922 34O 1f-3 0.002162 0.000575 -0.009924 -0.002271 0.001965 -0.000615 35O 1s 0.003136 0.003522 0.000368 0.008017 0.000632 -0.000432 35O 2s 0.007252 0.009691 0.001326 0.019853 0.001855 -0.000632 35O 3s 0.011575 -0.019560 0.003974 -0.008880 -0.007618 0.004683 35O 4s -0.220234 -0.206220 0.041736 -0.570104 0.050207 0.068855 35O 5s -1.021523 0.138687 -1.611077 0.131953 -1.827008 -1.185931 35O 1pz 0.041753 -0.079993 0.005380 -0.039997 0.025262 -0.007815 35O 1px 0.021225 -0.031096 -0.067755 0.015026 -0.062007 -0.077288 35O 1py -0.002789 -0.044125 0.000312 -0.064860 -0.003617 -0.022106 35O 2pz -0.078368 0.057930 -0.076190 0.081599 -0.063064 -0.035400 35O 2px -0.254482 -0.036733 -0.108311 -0.223524 -0.133377 -0.009852 35O 2py -0.124333 -0.002543 -0.101702 0.016692 -0.086680 -0.012847 35O 3pz 0.139162 -0.293500 0.164644 -0.145996 0.670947 -0.093716 35O 3px -0.275485 -0.294496 -0.860729 -0.203234 -0.662757 -0.829260 35O 3py 0.074187 0.022779 -0.267250 -0.355422 0.028291 -0.552334 35O 1dz2 -0.004785 0.004337 -0.000801 -0.000807 -0.006784 -0.000107 35O 1dxz -0.001946 0.006316 0.003388 0.003983 -0.000041 -0.000316 35O 1dyz -0.003579 0.001923 -0.002195 0.009105 -0.002421 0.000782 35O 1dx2y2 0.005421 -0.001988 0.001735 -0.002999 0.001862 -0.006730 35O 1dxy 0.004496 0.001422 -0.002183 0.005494 0.002948 -0.003404 35O 2dz2 0.040586 0.001278 0.077882 0.085950 -0.125278 0.146565 35O 2dxz -0.049923 -0.050630 0.026758 0.001130 0.149741 -0.016157 35O 2dyz -0.090407 0.085020 -0.085320 0.147214 0.025411 -0.037341 35O 2dx2y2 0.063196 -0.192021 -0.146828 -0.003059 -0.159504 -0.251656 35O 2dxy 0.045075 -0.028490 -0.265164 -0.023463 -0.058276 -0.236234 35O 1f0 0.002863 -0.000337 0.003305 -0.003537 -0.000356 -0.001812 35O 1f+1 0.000804 0.008871 0.003155 0.001516 0.003948 -0.001590 35O 1f-1 -0.000905 0.002918 0.001619 0.006529 0.002145 -0.003152 35O 1f+2 -0.001266 0.002412 0.001620 -0.002743 0.003452 -0.000859 35O 1f-2 -0.006922 0.000300 -0.002037 0.005643 -0.002993 0.002745 35O 1f+3 0.000656 0.002582 0.000850 0.005324 0.002851 -0.000178 35O 1f-3 0.014625 -0.007404 -0.000361 0.005200 -0.000283 0.001098 396 397 398 399 400 401 2.14361 2.15495 2.16233 2.16492 2.16724 2.17269 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s 0.001007 0.001905 0.003652 0.000015 0.001237 0.000664 0Rh 2s -0.009158 -0.008374 -0.017406 -0.000900 -0.008847 -0.005074 0Rh 3s 0.000337 0.006108 0.010887 -0.000463 0.001884 0.000812 0Rh 4s 0.046554 0.041970 0.087463 0.004584 0.044803 0.025665 0Rh 5s -0.093799 -0.052897 -0.120178 -0.011432 -0.081182 -0.047236 0Rh 6s 0.091567 -0.055736 -0.076475 0.016962 0.046285 0.028988 0Rh 7s -0.246063 0.425413 0.449139 -0.123722 -0.194370 -0.189099 0Rh 8s -0.165920 -0.324870 -0.260253 0.168352 -0.215214 -0.357096 0Rh 1pz -0.002596 0.002254 -0.004122 0.003343 0.001259 -0.002182 0Rh 1px 0.003224 0.001679 -0.001793 0.000038 -0.000688 -0.004558 0Rh 1py 0.004837 0.000171 -0.003715 -0.001763 -0.003235 -0.006922 0Rh 2pz 0.008903 -0.007300 0.013986 -0.011654 -0.003923 0.007734 0Rh 2px -0.011570 -0.006595 0.006441 0.000399 0.002438 0.015821 0Rh 2py -0.016435 -0.000639 0.012642 0.005951 0.011425 0.024319 0Rh 3pz -0.000615 -0.008397 0.001845 0.005765 -0.007569 -0.006536 0Rh 3px 0.011375 0.018494 -0.007181 -0.011383 -0.002265 -0.006094 0Rh 3py -0.001570 0.001384 0.001146 0.001818 -0.008277 -0.014451 0Rh 4pz -0.059655 0.082287 -0.101775 0.052941 0.055605 -0.023705 0Rh 4px 0.037819 -0.029639 -0.012716 0.043238 -0.005347 -0.080893 0Rh 4py 0.117999 -0.003034 -0.091745 -0.049395 -0.042978 -0.108128 0Rh 5pz 0.121844 -0.146287 0.187792 -0.092720 -0.102093 0.033795 0Rh 5px -0.096064 0.048749 0.014370 -0.077748 0.005156 0.154185 0Rh 5py -0.221273 0.009855 0.179707 0.099302 0.073686 0.201108 0Rh 6pz -0.772111 -0.066232 -0.572453 0.269285 0.430156 0.215868 0Rh 6px -0.045598 -0.430477 0.300990 0.308480 0.036098 -0.339492 0Rh 6py 0.249359 0.289195 -1.056783 -0.151559 0.281564 0.666503 0Rh 1dz2 -0.001795 0.008442 -0.011741 0.016814 -0.001608 -0.009902 0Rh 1dxz -0.004285 -0.001710 0.001347 -0.017568 -0.004183 0.007674 0Rh 1dyz -0.005675 0.004258 0.001431 -0.005657 0.001379 0.005740 0Rh 1dx2y2 0.004888 0.001769 0.010130 0.001008 0.008837 0.012686 0Rh 1dxy 0.009371 -0.013923 0.003647 0.008137 0.003224 -0.006840 0Rh 2dz2 0.001046 -0.001788 -0.001255 0.000447 -0.000648 0.000922 0Rh 2dxz -0.000046 -0.003926 -0.000814 0.000463 -0.000256 0.000869 0Rh 2dyz 0.000087 -0.000270 0.000033 0.000116 0.000324 -0.001135 0Rh 2dx2y2 0.000199 0.003012 0.002186 -0.002686 -0.001369 -0.000166 0Rh 2dxy -0.001880 0.001541 0.000942 0.000091 0.000088 0.001437 0Rh 3dz2 0.000510 -0.014064 0.036659 -0.046286 0.007150 0.022162 0Rh 3dxz 0.011564 0.021979 0.000250 0.044102 0.012297 -0.023884 0Rh 3dyz 0.014588 -0.009865 -0.003747 0.014473 -0.004970 -0.010194 0Rh 3dx2y2 -0.014034 -0.018402 -0.036587 0.009293 -0.017578 -0.032741 0Rh 3dxy -0.016573 0.029745 -0.014022 -0.021840 -0.008929 0.011851 0Rh 4dz2 0.009136 -0.031289 -0.016957 0.001857 -0.009167 0.013877 0Rh 4dxz 0.000191 -0.057167 -0.013599 0.014527 -0.004980 0.006838 0Rh 4dyz 0.002350 -0.008016 -0.002540 0.001958 0.002547 -0.017033 0Rh 4dx2y2 0.006444 0.048962 0.031235 -0.039807 -0.017608 -0.005212 0Rh 4dxy -0.026680 0.027796 0.017017 -0.002390 0.000880 0.021318 0Rh 5dz2 -0.008649 0.159952 0.005240 0.075703 0.007642 -0.082384 0Rh 5dxz -0.049006 0.179454 0.024501 -0.154959 0.011983 0.035667 0Rh 5dyz -0.030006 0.099591 0.036417 0.001127 -0.008508 0.071084 0Rh 5dx2y2 -0.007496 -0.170634 -0.032151 0.142230 0.090220 0.066695 0Rh 5dxy 0.139442 -0.150947 -0.065659 0.060988 0.008736 -0.110858 0Rh 1f0 0.004153 0.066090 -0.053623 0.309707 -0.124778 0.284704 0Rh 1f+1 -0.073842 0.211031 -0.129414 0.197509 -0.271837 0.248550 0Rh 1f-1 -0.017198 -0.105524 0.181572 0.062575 0.115677 -0.030230 0Rh 1f+2 -0.096704 0.001689 0.211098 0.008786 0.012164 0.003251 0Rh 1f-2 -0.022745 0.007674 0.050082 -0.094891 0.005199 -0.062619 0Rh 1f+3 -0.074030 0.024307 0.126841 0.133814 -0.118842 0.032121 0Rh 1f-3 -0.226744 0.312256 -0.177366 -0.222012 -0.035676 0.009000 1Rh 1s 0.002161 -0.001933 -0.003671 0.000194 0.001251 0.000641 1Rh 2s -0.015431 0.008461 0.017580 -0.000541 -0.009015 -0.005021 1Rh 3s 0.003304 -0.006221 -0.010891 0.000814 0.001863 0.000707 1Rh 4s 0.078081 -0.042396 -0.088348 0.002698 0.045648 0.025399 1Rh 5s -0.141516 0.053088 0.121993 -0.001387 -0.082927 -0.047185 1Rh 6s 0.081450 0.057989 0.074550 -0.011261 0.047765 0.030392 1Rh 7s -0.225680 -0.436020 -0.440392 0.091515 -0.208030 -0.197157 1Rh 8s -0.084952 0.334299 0.262576 -0.239214 -0.192102 -0.336962 1Rh 1pz -0.004904 0.002130 -0.004326 0.003701 -0.001425 0.001907 1Rh 1px -0.005233 0.001690 -0.001898 0.000757 0.000917 0.004590 1Rh 1py -0.001579 0.000130 -0.003581 -0.001167 0.003646 0.007043 1Rh 2pz 0.017065 -0.006852 0.014701 -0.012942 0.004551 -0.006775 1Rh 2px 0.017796 -0.006645 0.006811 -0.002095 -0.003344 -0.015980 1Rh 2py 0.005056 -0.000504 0.012186 0.003836 -0.012842 -0.024727 1Rh 3pz -0.007118 -0.008882 0.001435 0.007109 0.006205 0.006081 1Rh 3px 0.002365 0.018767 -0.007390 -0.010457 0.004934 0.007129 1Rh 3py 0.007193 0.001536 0.001159 0.003428 0.008560 0.014296 1Rh 4pz -0.086043 0.081157 -0.104906 0.056179 -0.054092 0.019284 1Rh 4px -0.136396 -0.030583 -0.014222 0.056090 0.000712 0.077819 1Rh 4py -0.063671 -0.004601 -0.088835 -0.041282 0.051439 0.111667 1Rh 5pz 0.153468 -0.144262 0.193342 -0.097366 0.098741 -0.026079 1Rh 5px 0.278306 0.051394 0.016632 -0.102099 0.002702 -0.148838 1Rh 5py 0.119945 0.012895 0.174616 0.083854 -0.089659 -0.208225 1Rh 6pz -0.329077 -0.063865 -0.568711 0.194529 -0.416710 -0.227284 1Rh 6px -0.660527 -0.444211 0.301672 0.342922 -0.074703 0.329914 1Rh 6py -0.335317 0.290141 -1.042113 -0.230925 -0.234172 -0.679238 1Rh 1dz2 -0.008507 -0.008994 0.011888 -0.017263 -0.000537 -0.007658 1Rh 1dxz -0.003422 0.002064 -0.001277 0.017133 -0.005303 0.005784 1Rh 1dyz -0.007853 -0.004620 -0.001494 0.006526 0.000372 0.005263 1Rh 1dx2y2 0.016953 -0.001528 -0.010499 0.001052 0.009373 0.012686 1Rh 1dxy 0.010849 0.014119 -0.003553 -0.009030 0.004776 -0.006304 1Rh 2dz2 0.002138 0.001935 0.001199 -0.000465 -0.000578 0.000940 1Rh 2dxz 0.001017 0.003990 0.000761 -0.000325 -0.000078 0.000884 1Rh 2dyz 0.001560 0.000331 -0.000008 -0.000241 0.000387 -0.001118 1Rh 2dx2y2 -0.001456 -0.002982 -0.002200 0.002642 -0.001778 -0.000455 1Rh 2dxy -0.001293 -0.001550 -0.000914 0.000020 0.000048 0.001451 1Rh 3dz2 0.013057 0.014872 -0.036805 0.047568 0.004000 0.016162 1Rh 3dxz 0.004851 -0.023186 -0.000208 -0.043527 0.014438 -0.018987 1Rh 3dyz 0.013776 0.010544 0.003802 -0.016204 -0.002596 -0.009002 1Rh 3dx2y2 -0.038212 0.017652 0.037622 -0.014544 -0.017164 -0.031460 1Rh 3dxy -0.023018 -0.030223 0.013656 0.023708 -0.012845 0.010383 1Rh 4dz2 0.031381 0.033430 0.016231 -0.002276 -0.008199 0.013497 1Rh 4dxz 0.010170 0.057900 0.012912 -0.013065 -0.001608 0.008054 1Rh 4dyz 0.022958 0.008933 0.002853 -0.004021 0.003821 -0.016862 1Rh 4dx2y2 -0.024803 -0.048815 -0.031336 0.038970 -0.023924 -0.009401 1Rh 4dxy -0.019653 -0.028024 -0.016715 0.004315 -0.000277 0.021080 1Rh 5dz2 -0.158317 -0.167906 -0.002295 -0.076207 0.006810 -0.069007 1Rh 5dxz -0.028371 -0.180240 -0.021894 0.151758 -0.009211 0.018432 1Rh 5dyz -0.072750 -0.100434 -0.036553 0.006300 -0.018849 0.074088 1Rh 5dx2y2 0.202493 0.173380 0.030418 -0.132838 0.115784 0.080836 1Rh 5dxy 0.136068 0.154527 0.065331 -0.073742 0.020288 -0.104133 1Rh 1f0 -0.220306 0.055036 -0.044268 0.282120 0.114016 -0.309558 1Rh 1f+1 -0.065754 0.190265 -0.125444 0.195512 0.274469 -0.267599 1Rh 1f-1 0.110096 -0.092771 0.183043 0.046510 -0.121671 0.028180 1Rh 1f+2 0.046400 0.008087 0.213459 -0.000097 -0.007262 0.003208 1Rh 1f-2 0.096789 0.006356 0.046201 -0.081948 -0.003561 0.070396 1Rh 1f+3 0.106684 0.021996 0.131414 0.125573 0.110674 -0.041065 1Rh 1f-3 0.192648 0.310234 -0.188557 -0.194469 0.061908 -0.000357 2C 1s -0.004039 -0.000367 -0.001287 -0.001818 -0.001117 0.000622 2C 2s -0.009961 -0.001700 -0.002635 -0.012268 -0.009021 -0.000356 2C 3s 0.006443 0.026435 0.010108 0.134688 0.107103 0.034836 2C 4s 0.395529 -0.067724 -0.029410 -0.308441 -0.200039 -0.156291 2C 5s 0.432535 -0.558809 -0.974982 1.894846 1.296414 0.742959 2C 1pz 0.032793 0.013573 -0.044061 0.025269 0.062622 -0.034561 2C 1px -0.077561 -0.050982 0.000335 -0.052487 0.032587 0.020780 2C 1py 0.048831 0.030744 0.081989 0.017727 -0.077979 0.058605 2C 2pz 0.298030 -0.083452 0.066584 -0.212022 -0.215313 0.017189 2C 2px 0.293410 0.112256 0.033441 0.102084 -0.089923 -0.029976 2C 2py 0.092578 -0.115925 -0.157536 -0.117734 0.183426 -0.177131 2C 3pz 0.153470 -0.129082 -0.293083 0.389168 0.333425 0.177732 2C 3px -0.007330 -0.069910 -0.003739 0.100128 -0.117014 -0.065878 2C 3py 0.101289 -0.039884 -0.009558 0.337373 0.126291 0.149981 2C 1dz2 0.002207 -0.013726 -0.031324 -0.026235 -0.014974 0.006479 2C 1dxz 0.021080 0.035953 0.030318 -0.051114 -0.026585 -0.012651 2C 1dyz -0.025114 -0.008018 -0.005061 0.009474 0.012342 0.002327 2C 1dx2y2 0.002099 -0.012557 -0.019163 -0.007410 0.012537 0.032764 2C 1dxy 0.001862 0.029275 0.032403 0.007493 -0.003206 -0.010092 2C 2dz2 0.077012 0.036402 0.144982 0.028239 -0.076763 0.048891 2C 2dxz 0.073078 -0.074441 -0.125465 0.255278 0.039818 0.029517 2C 2dyz 0.107079 -0.010393 0.028000 -0.100734 0.041442 -0.024764 2C 2dx2y2 -0.023831 0.082129 0.184484 0.020164 -0.098239 0.028978 2C 2dxy 0.082671 -0.073806 -0.207502 -0.008801 0.052545 0.003524 2C 1f0 -0.000841 -0.019381 -0.015792 0.002901 0.008475 0.043291 2C 1f+1 0.000371 0.004499 0.008989 0.003004 0.005640 0.002245 2C 1f-1 0.026875 0.009143 -0.005028 -0.012074 -0.016599 -0.034348 2C 1f+2 0.010101 0.010365 -0.000834 -0.071329 -0.043060 -0.026038 2C 1f-2 0.004392 0.018488 0.011995 0.022495 0.019904 0.017376 2C 1f+3 0.017523 -0.001169 0.013536 -0.084566 -0.051172 -0.006554 2C 1f-3 -0.007218 -0.013150 0.002846 0.014672 0.008125 0.013406 3C 1s -0.004629 0.001937 0.001672 0.000000 -0.000753 -0.000896 3C 2s -0.019146 0.013041 0.004351 -0.003044 0.003822 0.000999 3C 3s 0.128786 -0.120858 -0.070697 0.035669 -0.099418 -0.009201 3C 4s 0.073586 0.192276 0.277799 -0.084887 0.513778 0.076878 3C 5s 0.771298 -2.723333 0.624030 0.617670 -0.558562 0.031088 3C 1pz 0.016442 0.009792 -0.010407 0.068082 0.094997 -0.001497 3C 1px 0.051137 0.068538 0.035766 0.082966 -0.038745 -0.196464 3C 1py -0.043745 0.055428 0.053632 0.069800 0.005760 -0.130250 3C 2pz 0.096866 0.035057 0.173019 -0.202379 -0.042017 0.105704 3C 2px -0.037165 -0.162317 -0.060986 -0.213605 0.246275 0.494867 3C 2py -0.038631 -0.185679 -0.166750 -0.059726 -0.420047 0.109232 3C 3pz 0.250922 -0.337661 0.220820 0.169380 0.021950 -0.006765 3C 3px 0.074128 -0.209471 0.098663 0.154704 -0.056376 -0.142016 3C 3py -0.141138 0.655328 -0.076152 -0.078361 0.074512 -0.077491 3C 1dz2 0.014871 -0.028930 -0.003978 0.001050 -0.008275 0.014432 3C 1dxz 0.005156 0.043180 0.049334 -0.007546 -0.005279 -0.010121 3C 1dyz -0.006984 0.037980 -0.006861 -0.004345 0.019253 -0.004617 3C 1dx2y2 0.021315 -0.021681 0.055822 -0.003184 -0.009171 0.010743 3C 1dxy 0.017804 -0.055178 -0.023852 0.009087 -0.001569 0.008095 3C 2dz2 -0.011321 0.109119 0.055205 -0.041935 -0.098182 -0.039636 3C 2dxz -0.008603 -0.269127 -0.266064 -0.103245 0.061702 0.326575 3C 2dyz -0.055595 -0.186956 -0.076370 0.068009 -0.035282 0.090181 3C 2dx2y2 -0.099817 -0.007266 -0.260923 -0.107246 -0.071396 0.127375 3C 2dxy -0.081832 0.235420 0.031606 -0.011844 -0.100091 -0.159837 3C 1f0 0.029746 -0.082009 0.017255 0.013071 -0.055013 -0.010289 3C 1f+1 0.012297 -0.053247 -0.002579 0.012913 -0.015255 -0.004395 3C 1f-1 0.015708 -0.010343 -0.010808 0.022297 -0.014595 -0.040869 3C 1f+2 -0.055577 0.071202 0.001391 -0.027039 0.036066 0.021966 3C 1f-2 -0.038693 0.053808 -0.011845 -0.022661 0.028670 0.021550 3C 1f+3 0.004600 0.024408 0.014479 -0.016288 0.008807 0.014079 3C 1f-3 0.014138 0.022318 0.032085 0.003060 -0.015927 -0.017096 4C 1s -0.000461 0.006304 0.000084 0.002767 -0.009570 -0.005567 4C 2s -0.002036 0.020401 -0.000142 0.010811 -0.031244 -0.017138 4C 3s 0.251337 -0.139018 0.297484 -0.226976 -0.109872 -0.088403 4C 4s -1.581543 -0.137039 -1.682533 0.854173 1.971602 1.354969 4C 5s -0.736504 -0.074938 -0.546229 -1.167335 0.121586 0.188574 4C 1pz -0.034965 -0.074389 -0.029801 0.012111 0.071684 0.027561 4C 1px -0.095955 0.072425 0.164000 0.055486 0.055582 0.202536 4C 1py -0.083389 -0.061577 0.019419 0.061608 0.114262 0.057349 4C 2pz -0.008364 -0.029305 -0.326294 0.146581 0.256693 0.224613 4C 2px 0.174020 -0.129105 -0.332740 -0.378983 0.321046 -0.386432 4C 2py 0.137765 0.043132 -0.247841 -0.217314 0.143255 0.092873 4C 3pz 0.110251 -0.500846 -0.854442 0.825517 0.430133 0.370773 4C 3px -0.022730 0.066814 0.044230 -0.175791 0.371359 0.451162 4C 3py 0.099814 -0.313641 -0.680131 0.401915 0.461203 0.329942 4C 1dz2 -0.015665 0.004555 0.010997 0.009395 0.026252 0.006186 4C 1dxz 0.004345 -0.007975 -0.023021 -0.003757 0.003251 -0.035217 4C 1dyz 0.001685 0.006512 -0.010318 -0.004618 -0.019532 0.005875 4C 1dx2y2 0.008570 -0.010957 0.015929 0.001867 -0.023002 -0.006871 4C 1dxy 0.013187 0.004415 -0.010332 0.011348 -0.019819 -0.055505 4C 2dz2 -0.170231 0.143196 0.444484 0.078282 -0.372575 0.137330 4C 2dxz 0.104989 -0.074996 -0.137254 0.024299 -0.135297 -0.288930 4C 2dyz -0.282931 -0.003890 -0.179361 -0.010833 0.119847 -0.025889 4C 2dx2y2 0.046008 -0.077436 -0.354120 0.200710 0.341774 0.169725 4C 2dxy 0.028757 -0.061421 -0.186292 0.149084 0.096708 0.049308 4C 1f0 0.027534 -0.013883 -0.016236 -0.037523 -0.028099 0.008277 4C 1f+1 0.040547 0.014879 0.037878 -0.028349 -0.048125 -0.011310 4C 1f-1 -0.003833 -0.021119 0.011671 0.011396 -0.004774 0.000263 4C 1f+2 0.005953 0.014651 -0.017469 -0.027611 -0.000761 0.008639 4C 1f-2 -0.006389 0.015263 0.027356 0.003009 -0.001127 0.018252 4C 1f+3 0.009926 -0.003807 -0.006020 -0.008121 0.012698 -0.030554 4C 1f-3 0.018227 0.002321 0.017112 0.011893 -0.040011 -0.035776 5C 1s -0.009119 0.003210 -0.004252 0.007209 -0.001888 -0.006611 5C 2s -0.030730 0.008491 -0.014639 0.023732 -0.005423 -0.019587 5C 3s 0.239317 0.095977 0.017112 -0.269738 0.152663 0.016957 5C 4s -0.300260 -0.939824 0.572627 0.547605 -0.766157 0.686228 5C 5s -0.872336 1.214286 0.428055 -0.402639 0.308791 0.565570 5C 1pz 0.051766 -0.096616 -0.005188 -0.057921 -0.078931 -0.006121 5C 1px -0.022005 -0.027535 0.174692 -0.070503 -0.058503 0.079931 5C 1py -0.054759 0.085121 -0.004099 -0.002711 0.071246 0.059019 5C 2pz -0.049964 0.095303 0.174324 0.131797 0.213839 0.308763 5C 2px 0.289491 0.172148 -0.297655 0.233640 0.255743 -0.582283 5C 2py -0.016493 0.091936 -0.336991 0.050751 -0.221720 -0.490077 5C 3pz -0.239514 -0.970440 0.192255 0.041852 -0.059497 0.329977 5C 3px -0.088494 -0.056011 0.452275 0.063666 -0.014677 -0.310368 5C 3py 0.156191 1.345995 -0.708545 -0.325408 -0.017305 -0.296867 5C 1dz2 0.003303 0.001729 0.001424 0.003110 0.003050 -0.018806 5C 1dxz 0.013111 -0.003471 0.000818 -0.007051 -0.003422 0.006369 5C 1dyz 0.014589 -0.006481 -0.000036 -0.008569 -0.006127 0.014035 5C 1dx2y2 -0.021022 -0.003367 -0.023507 -0.009042 0.028477 0.008122 5C 1dxy -0.001380 -0.003429 0.013286 -0.009547 -0.003379 0.018853 5C 2dz2 -0.061342 0.182233 -0.137251 -0.230818 -0.122575 0.105731 5C 2dxz -0.078595 0.148473 -0.175420 0.069494 -0.042131 -0.264435 5C 2dyz 0.199470 -0.110449 -0.110158 -0.016462 0.267541 0.007500 5C 2dx2y2 0.295191 -0.342486 -0.088526 -0.056041 0.165951 0.351903 5C 2dxy 0.114298 0.344757 0.580804 0.093199 0.004278 -0.268431 5C 1f0 0.003930 0.011397 0.001973 0.013233 0.019438 -0.007834 5C 1f+1 0.002712 -0.012281 0.012978 -0.002983 0.017255 0.007992 5C 1f-1 -0.013841 0.043710 -0.024019 0.012898 0.025335 -0.020798 5C 1f+2 -0.017719 0.042999 0.004731 -0.007982 0.009147 0.019439 5C 1f-2 -0.004922 0.012102 -0.022460 0.017969 0.009400 -0.000929 5C 1f+3 -0.017866 0.025515 0.006945 -0.001008 0.019022 -0.021466 5C 1f-3 0.023291 -0.013604 0.060440 -0.004327 -0.017370 0.005315 6C 1s -0.011732 -0.003729 0.004394 -0.007916 -0.001123 -0.005599 6C 2s -0.040240 -0.010263 0.015071 -0.025718 -0.002780 -0.016285 6C 3s 0.032799 -0.090592 -0.015861 0.270372 0.115635 -0.005525 6C 4s 1.330565 0.977822 -0.596824 -0.470988 -0.661589 0.674876 6C 5s 0.891271 -1.222361 -0.425304 0.472529 0.203760 0.505588 6C 1pz -0.011433 -0.104402 -0.007179 -0.048582 0.082083 0.012099 6C 1px 0.009287 -0.026659 0.182063 -0.081613 0.056950 -0.068186 6C 1py 0.035486 0.089682 -0.003865 -0.012755 -0.069514 -0.060112 6C 2pz -0.380850 0.114038 0.187119 0.066245 -0.222349 -0.306812 6C 2px -0.043443 0.159139 -0.327517 0.290641 -0.260008 0.547659 6C 2py 0.474964 0.083482 -0.347367 0.133334 0.221766 0.464076 6C 3pz -0.025422 -0.939575 0.202046 -0.016348 0.018848 -0.306223 6C 3px 0.093843 -0.040629 0.454055 0.058748 0.003447 0.310976 6C 3py -0.050664 1.284491 -0.732862 -0.221781 0.106110 0.280886 6C 1dz2 0.016553 -0.001847 -0.001209 -0.004210 0.003463 -0.018479 6C 1dxz 0.030205 0.005320 0.000137 0.004441 -0.005545 0.005098 6C 1dyz 0.010971 0.007555 -0.000292 0.008776 -0.007177 0.012767 6C 1dx2y2 -0.027356 0.000898 0.024559 0.010509 0.027906 0.008120 6C 1dxy -0.017967 0.004048 -0.014301 0.012079 -0.003486 0.017712 6C 2dz2 -0.087570 -0.169540 0.142323 0.213842 -0.155028 0.093980 6C 2dxz -0.279114 -0.147761 0.183007 -0.105484 -0.039982 -0.243052 6C 2dyz -0.064718 0.100754 0.110346 0.030458 0.267616 0.003916 6C 2dx2y2 0.361922 0.353066 0.086758 0.097318 0.171796 0.333084 6C 2dxy 0.394852 -0.340991 -0.584911 -0.095621 -0.001072 -0.261473 6C 1f0 0.005638 0.012699 0.002142 0.011679 -0.020583 0.006271 6C 1f+1 0.026904 -0.011128 0.012081 -0.003348 -0.017789 -0.008278 6C 1f-1 -0.012209 0.045444 -0.024679 0.013265 -0.024790 0.018997 6C 1f+2 -0.017751 0.042833 0.004884 -0.009654 -0.006537 -0.018742 6C 1f-2 -0.041261 0.011982 -0.023145 0.018366 -0.009340 -0.000516 6C 1f+3 0.030420 0.027975 0.006123 0.000097 -0.018063 0.020672 6C 1f-3 -0.027807 -0.015827 0.060433 -0.002954 0.016689 -0.003504 7C 1s -0.010452 -0.005988 0.000081 -0.004183 -0.009507 -0.005172 7C 2s -0.034451 -0.019268 0.000694 -0.015396 -0.030985 -0.015659 7C 3s 0.112210 0.144312 -0.303054 0.211420 -0.106594 -0.110291 7C 4s 0.614750 0.055788 1.694849 -0.553627 1.946740 1.418608 7C 5s 0.302020 0.035401 0.542677 1.209984 0.017994 0.040161 7C 1pz -0.010758 -0.069579 -0.029532 -0.001510 -0.075446 -0.030265 7C 1px 0.035297 0.066522 0.168327 0.035002 -0.055243 -0.207184 7C 1py 0.017217 -0.057404 0.016858 0.050250 -0.122456 -0.062834 7C 2pz -0.513092 -0.024274 -0.324255 0.102952 -0.242999 -0.222934 7C 2px -0.376736 -0.103215 -0.341349 -0.393064 -0.304225 0.425678 7C 2py -0.461958 0.044347 -0.240309 -0.260092 -0.109866 -0.066522 7C 3pz -1.392876 -0.564078 -0.863145 0.767914 -0.451703 -0.462879 7C 3px -0.285210 0.062537 0.051669 -0.260047 -0.349942 -0.424325 7C 3py -0.800580 -0.354065 -0.698848 0.354554 -0.476821 -0.381900 7C 1dz2 0.004005 -0.005898 -0.010753 -0.007060 0.026680 0.006717 7C 1dxz 0.001091 0.005203 0.023248 0.002477 0.002561 -0.035604 7C 1dyz -0.003423 -0.005777 0.009803 0.004718 -0.019908 0.005641 7C 1dx2y2 -0.013793 0.012375 -0.015925 -0.004377 -0.023385 -0.007179 7C 1dxy -0.007848 -0.005087 0.011600 -0.018573 -0.018344 -0.053480 7C 2dz2 -0.352986 -0.136136 -0.457947 -0.074671 -0.371021 0.138508 7C 2dxz -0.111791 0.084784 0.139585 -0.073539 -0.128244 -0.273976 7C 2dyz -0.267261 -0.001922 0.195072 -0.003973 0.123753 -0.020599 7C 2dx2y2 0.460109 0.070698 0.346978 -0.147409 0.338359 0.185544 7C 2dxy 0.258426 0.061841 0.178896 -0.125445 0.088220 0.063859 7C 1f0 0.015710 -0.016164 -0.015577 -0.036117 0.029435 -0.006120 7C 1f+1 0.019438 0.011928 0.038771 -0.024223 0.049018 0.013089 7C 1f-1 0.012451 -0.021369 0.011617 0.010558 0.002793 -0.001928 7C 1f+2 -0.008642 0.015357 -0.016409 -0.030007 0.003611 -0.006298 7C 1f-2 0.001026 0.013712 0.027594 0.001044 0.001365 -0.018761 7C 1f+3 0.002707 -0.002122 -0.007037 -0.005490 -0.012900 0.031024 7C 1f-3 0.000022 0.000721 0.016510 0.019234 0.038950 0.035183 8C 1s 0.000190 -0.002077 -0.001632 -0.000082 -0.000883 -0.000933 8C 2s -0.000406 -0.013817 -0.004207 0.003479 0.002806 0.000683 8C 3s -0.009843 0.130951 0.068952 -0.045223 -0.088050 -0.004778 8C 4s 0.230851 -0.220247 -0.274768 0.136303 0.485688 0.059961 8C 5s -0.128143 2.705573 -0.659152 -0.565877 -0.370967 0.035472 8C 1pz 0.010748 0.017930 -0.007441 0.058192 -0.101943 -0.002571 8C 1px -0.072255 0.064482 0.034200 0.099149 0.036757 0.185069 8C 1py 0.003390 0.061555 0.053712 0.076064 -0.009740 0.124089 8C 2pz -0.173087 0.020122 0.168725 -0.204993 0.065208 -0.087714 8C 2px 0.180750 -0.149120 -0.056981 -0.267954 -0.240900 -0.466233 8C 2py 0.165853 -0.213712 -0.168118 -0.026195 0.412107 -0.109553 8C 3pz -0.085491 -0.331763 0.230889 0.150142 -0.053089 0.005007 8C 3px 0.013293 -0.206414 0.098356 0.159892 0.035126 0.128588 8C 3py -0.074758 0.648585 -0.081550 -0.059003 -0.038193 0.074535 8C 1dz2 -0.015778 0.028858 0.003152 0.000291 -0.006868 0.014315 8C 1dxz 0.003614 -0.041530 -0.048845 0.004632 -0.007714 -0.010664 8C 1dyz -0.001372 -0.038652 0.007629 0.004163 0.017264 -0.004348 8C 1dx2y2 -0.006413 0.022618 -0.056402 0.004211 -0.007597 0.009387 8C 1dxy -0.003275 0.055344 0.022925 -0.007406 0.000864 0.008527 8C 2dz2 0.029619 -0.097428 -0.051007 0.029405 -0.105999 -0.036949 8C 2dxz -0.036297 0.263969 0.264247 0.133698 0.062687 0.312096 8C 2dyz -0.096714 0.181896 0.072127 -0.057567 -0.017228 0.093565 8C 2dx2y2 -0.067264 0.013868 0.261837 0.101628 -0.081738 0.121118 8C 2dxy 0.042319 -0.230648 -0.025911 -0.014251 -0.112845 -0.155688 8C 1f0 0.014611 -0.085231 0.017847 0.017293 0.050537 0.010424 8C 1f+1 0.018235 -0.051438 -0.002131 0.011877 0.010424 0.002971 8C 1f-1 0.004395 -0.010071 -0.011553 0.026223 0.011334 0.038019 8C 1f+2 0.005634 0.073055 0.001213 -0.031028 -0.030585 -0.019921 8C 1f-2 -0.010205 0.056086 -0.012701 -0.025057 -0.024437 -0.020537 8C 1f+3 -0.008894 0.023674 0.013702 -0.016640 -0.006226 -0.012868 8C 1f-3 -0.012310 0.021540 0.031560 0.006323 0.016297 0.016637 9C 1s -0.000413 0.000392 0.001344 0.001863 -0.001221 0.000419 9C 2s 0.001100 0.002119 0.002780 0.011566 -0.009799 -0.001727 9C 3s -0.085351 -0.031679 -0.010516 -0.127231 0.114953 0.050772 9C 4s 0.596931 0.080081 0.023919 0.302809 -0.219596 -0.197292 9C 5s 1.532200 0.620254 0.988796 -1.752074 1.391689 0.965779 9C 1pz -0.008214 0.013862 -0.048032 0.034012 -0.064866 0.030524 9C 1px 0.062035 -0.044580 -0.003042 -0.059569 -0.036591 -0.012765 9C 1py -0.008393 0.027708 0.090706 0.008148 0.081353 -0.059584 9C 2pz -0.385904 -0.095285 0.080824 -0.224934 0.231537 0.010912 9C 2px -0.243477 0.088478 0.043862 0.120551 0.098890 0.012092 9C 2py -0.302671 -0.113723 -0.172304 -0.095894 -0.179879 0.193824 9C 3pz -0.362191 -0.144269 -0.300443 0.354816 -0.357931 -0.225862 9C 3px 0.054708 -0.079013 -0.011307 0.114625 0.102658 0.053907 9C 3py -0.317103 -0.049450 -0.001530 0.303347 -0.135363 -0.184191 9C 1dz2 -0.017133 0.014007 0.030806 0.025595 -0.015588 0.005137 9C 1dxz -0.008587 -0.035067 -0.030256 0.048220 -0.029817 -0.017404 9C 1dyz -0.000536 0.006775 0.005608 -0.007637 0.012618 0.002563 9C 1dx2y2 0.003280 0.013948 0.018888 0.011718 0.012428 0.032703 9C 1dxy 0.010079 -0.029312 -0.032374 -0.007650 -0.003560 -0.009136 9C 2dz2 0.108434 -0.034754 -0.154798 -0.010025 -0.081062 0.045634 9C 2dxz 0.199118 0.081863 0.119530 -0.249052 0.042334 0.055305 9C 2dyz 0.129236 0.010382 -0.026939 0.100384 0.039399 -0.036178 9C 2dx2y2 -0.044415 -0.082027 -0.194663 -0.016729 -0.101732 0.027742 9C 2dxy 0.051987 0.078490 0.206308 0.002008 0.054422 0.010242 9C 1f0 0.005080 -0.020568 -0.014674 -0.002362 -0.009648 -0.044354 9C 1f+1 -0.003145 0.003448 0.008532 0.003831 -0.007069 -0.003947 9C 1f-1 -0.009882 0.009407 -0.005192 -0.007991 0.017972 0.035392 9C 1f+2 -0.005911 0.008744 -0.000965 -0.065693 0.048710 0.033561 9C 1f-2 0.008881 0.019683 0.012284 0.015890 -0.020362 -0.019223 9C 1f+3 -0.020345 -0.003230 0.014656 -0.078659 0.057096 0.016428 9C 1f-3 -0.007322 -0.014462 0.003337 0.011068 -0.007090 -0.014095 10H 1s -0.073843 -0.071350 -0.040422 0.171834 0.152526 0.148949 10H 2s 0.042103 -0.055540 -0.130868 -0.272372 -0.203256 -0.214828 10H 3s -0.017074 0.005171 -0.012518 -0.006927 0.083808 0.099731 10H 1pz -0.044904 -0.040853 -0.045720 -0.029101 0.052536 0.001864 10H 1px -0.046264 0.004062 0.052221 -0.032864 0.039821 0.036878 10H 1py -0.022408 -0.004614 0.069610 -0.001211 -0.034865 0.045532 11H 1s 0.038609 0.026440 -0.005532 -0.013746 0.000622 0.015893 11H 2s 0.062432 0.008821 0.074991 -0.213264 -0.178875 -0.029786 11H 3s -0.014610 0.011763 0.000075 -0.222223 -0.152885 -0.096454 11H 1pz 0.087166 0.025946 -0.020623 0.025853 -0.034272 0.013438 11H 1px -0.024756 -0.011893 0.033430 -0.068942 -0.005378 0.043613 11H 1py 0.027361 0.015093 0.054974 0.069393 -0.039229 0.067586 12H 1s 0.005241 0.066942 0.032024 0.146579 0.051428 -0.079848 12H 2s -0.012188 -0.030746 0.139110 -0.255967 -0.127959 0.045881 12H 3s -0.002275 0.116091 0.206447 -0.015729 -0.195059 -0.095566 12H 1pz 0.025791 -0.014874 -0.133802 0.036643 0.108461 -0.050166 12H 1px -0.050497 -0.018776 0.013264 -0.068843 0.051720 0.028893 12H 1py 0.027793 0.023119 0.045532 0.038416 -0.019596 -0.002707 13H 1s 0.092773 -0.264574 -0.030230 0.075288 -0.102834 -0.052470 13H 2s -0.177523 0.290797 -0.045610 -0.131322 0.176885 0.189017 13H 3s 0.036436 -0.057487 -0.050883 -0.026811 0.079616 0.119553 13H 1pz 0.009451 0.017911 0.032931 0.059279 0.024721 -0.060101 13H 1px 0.038962 0.069863 0.094442 0.067560 -0.059415 -0.193637 13H 1py -0.032784 0.017271 -0.018243 0.028529 0.051669 0.004164 14H 1s 0.105190 -0.091150 0.105853 0.010968 -0.088531 -0.014294 14H 2s -0.205232 0.312249 0.075945 -0.088687 0.171916 0.045511 14H 3s 0.044631 0.206804 0.145734 0.072434 0.038889 -0.158874 14H 1pz -0.019087 -0.054486 0.005041 -0.005223 0.058616 0.106313 14H 1px 0.025910 0.074894 0.076373 0.008565 -0.018478 -0.084594 14H 1py -0.024166 0.114810 0.059246 0.089584 0.024328 -0.160071 15H 1s 0.042256 0.008726 -0.050115 0.051060 -0.021545 -0.076134 15H 2s -0.229363 0.230333 -0.078397 -0.132618 0.197000 0.105187 15H 3s -0.155922 0.211615 -0.152157 -0.060649 0.026834 -0.021030 15H 1pz 0.042135 -0.063804 0.052769 0.095437 0.046481 -0.025609 15H 1px 0.036961 0.061385 0.062270 0.085588 -0.009139 -0.170368 15H 1py 0.022050 0.025622 0.049859 -0.011714 -0.083994 -0.065354 16H 1s 0.202839 0.011971 -0.119209 -0.000415 -0.045094 -0.008087 16H 2s -0.596701 -0.101571 0.410328 -0.000013 0.176104 0.019599 16H 3s 0.241539 0.110656 -0.123003 0.047366 -0.153527 0.003423 16H 1pz -0.234580 -0.036077 0.123071 -0.022251 0.152394 0.043848 16H 1px 0.089845 -0.198133 -0.019344 -0.124536 0.272079 0.063686 16H 1py -0.083838 -0.230296 0.059294 -0.081298 0.255627 0.056336 17H 1s 0.115261 -0.026589 -0.120698 -0.041273 0.111514 0.034339 17H 2s -0.325642 0.094537 0.360796 0.202974 -0.345549 -0.072479 17H 3s 0.044724 0.018736 -0.084347 -0.157224 0.238492 0.109555 17H 1pz -0.110877 0.000303 0.028718 -0.193617 0.195109 0.034133 17H 1px 0.347754 -0.115763 -0.178293 0.148393 0.017570 -0.040925 17H 1py 0.225044 -0.058233 -0.057146 0.255569 -0.216019 -0.053084 18H 1s 0.083091 0.022682 0.120161 0.055180 0.100184 0.028187 18H 2s -0.230087 -0.084166 -0.360316 -0.239450 -0.303669 -0.043082 18H 3s 0.069894 -0.025475 0.086666 0.184959 0.214949 0.088896 18H 1pz 0.058117 0.008944 0.025594 -0.210484 -0.179303 -0.011713 18H 1px -0.193919 -0.114840 -0.175567 0.140845 -0.026831 0.025463 18H 1py -0.122451 -0.068958 -0.055527 0.267729 0.184818 0.021177 19H 1s 0.102302 -0.008620 0.116015 -0.000798 -0.050513 -0.006683 19H 2s -0.257758 0.090797 -0.400351 0.005721 0.196892 0.013487 19H 3s 0.004892 -0.108608 0.117431 -0.047675 -0.157601 0.013442 19H 1pz 0.158741 -0.023722 0.117207 -0.033857 -0.152225 -0.040115 19H 1px -0.329435 -0.197366 -0.016098 -0.143770 -0.264268 -0.042056 19H 1py -0.229715 -0.231689 0.064192 -0.100258 -0.260053 -0.037802 20H 1s 0.004361 -0.008357 0.051656 -0.059468 -0.016806 -0.069649 20H 2s -0.067170 -0.242895 0.078880 0.151009 0.172845 0.095778 20H 3s -0.101560 -0.214720 0.160259 0.052407 0.010375 -0.017018 20H 1pz 0.014269 -0.056677 0.055866 0.088475 -0.059293 0.020845 20H 1px -0.048184 0.061056 0.061810 0.095733 0.004696 0.160483 20H 1py -0.022723 0.019616 0.049145 0.000703 0.086197 0.065339 21H 1s 0.013722 0.098738 -0.105240 -0.021820 -0.084106 -0.015969 21H 2s -0.080073 -0.323151 -0.076259 0.109323 0.155965 0.041965 21H 3s 0.063708 -0.205619 -0.142196 -0.085575 0.031568 -0.150054 21H 1pz 0.064022 -0.047723 0.008592 -0.020539 -0.062625 -0.102929 21H 1px -0.028641 0.070300 0.075101 0.016526 0.021164 0.081948 21H 1py -0.009223 0.120773 0.059781 0.096504 -0.028856 0.150332 22H 1s -0.048796 0.267521 0.026617 -0.078732 -0.083395 -0.047480 22H 2s 0.118952 -0.299179 0.048280 0.150987 0.149154 0.176697 22H 3s 0.012098 0.054273 0.046768 0.045128 0.078813 0.113100 22H 1pz -0.020397 0.021847 0.034636 0.058542 -0.029037 0.055244 22H 1px -0.042637 0.065645 0.092989 0.085219 0.057421 0.184548 22H 1py 0.066009 0.023215 -0.017015 0.022417 -0.055469 -0.007182 23H 1s -0.014889 -0.072877 -0.029131 -0.147619 0.059382 -0.064092 23H 2s 0.086205 0.043174 -0.142731 0.243538 -0.147940 0.011072 23H 3s -0.088216 -0.121121 -0.211825 0.008755 -0.199202 -0.101745 23H 1pz -0.047621 -0.014288 -0.141574 0.045357 -0.112624 0.043325 23H 1px 0.019387 -0.014921 0.009635 -0.075438 -0.052883 -0.020261 23H 1py -0.057746 0.019100 0.047427 0.040268 0.020890 0.000217 24H 1s -0.041092 -0.027618 0.004526 0.019257 0.000654 0.016668 24H 2s 0.020617 0.004719 -0.076434 0.187709 -0.187712 -0.050103 24H 3s -0.194078 -0.010430 0.007379 0.200430 -0.155745 -0.117566 24H 1pz -0.060214 0.018152 -0.018167 0.029482 0.036227 -0.018363 24H 1px 0.029468 -0.010483 0.033956 -0.076025 0.005580 -0.035278 24H 1py -0.060241 0.012953 0.063323 0.053117 0.041782 -0.072701 25H 1s -0.021451 0.069220 0.039506 -0.144500 0.165880 0.166542 25H 2s 0.082153 0.056094 0.133748 0.233066 -0.225899 -0.244600 25H 3s 0.011610 -0.009842 0.008025 0.024901 0.082964 0.096994 25H 1pz 0.004030 -0.036834 -0.049228 -0.031294 -0.054128 0.001867 25H 1px 0.036584 0.008020 0.050587 -0.042674 -0.043173 -0.031837 25H 1py -0.000305 -0.003039 0.074499 -0.012710 0.036075 -0.042728 26O 1s -0.000178 -0.002115 -0.006836 0.003501 0.001063 -0.000084 26O 2s -0.000808 -0.005283 -0.017500 0.010140 0.003055 0.000830 26O 3s 0.007148 0.002911 0.005689 -0.036451 0.007404 -0.018968 26O 4s -0.111150 0.154904 0.516578 -0.092389 -0.068980 0.171696 26O 5s 0.392788 0.068181 0.444688 0.259099 -1.435516 -0.710830 26O 1pz 0.005972 -0.001299 0.037863 0.047025 0.013918 0.048963 26O 1px -0.043716 -0.011565 0.029075 0.016925 0.065148 0.056941 26O 1py -0.014639 -0.029340 -0.011331 0.008181 0.062678 0.045135 26O 2pz 0.006469 -0.007107 -0.055292 -0.038843 0.018493 -0.055990 26O 2px 0.064915 -0.053698 -0.314093 0.015065 0.109536 -0.123430 26O 2py 0.046150 0.001307 -0.125176 0.000561 0.032889 -0.094538 26O 3pz -0.045481 -0.061431 -0.115450 -0.130960 0.260180 0.326012 26O 3px -0.395343 -0.069966 -0.491711 -0.081874 0.926549 0.674248 26O 3py -0.307395 -0.145191 -0.300322 0.050631 0.556914 0.418643 26O 1dz2 -0.002235 -0.000432 0.000317 -0.003603 0.005405 0.001536 26O 1dxz 0.000581 -0.003526 -0.002704 -0.000129 0.002903 0.001646 26O 1dyz -0.001906 -0.003349 -0.000179 0.004192 -0.001135 0.004907 26O 1dx2y2 0.004948 0.001211 -0.003302 -0.003709 -0.001788 -0.012392 26O 1dxy 0.002328 -0.002399 -0.001946 -0.001595 -0.003285 -0.002955 26O 2dz2 -0.076364 -0.077920 -0.126858 -0.044988 0.279229 0.059535 26O 2dxz -0.034092 -0.042989 -0.104141 0.064805 -0.049297 -0.070630 26O 2dyz 0.028656 -0.094890 -0.042228 0.052971 -0.100560 -0.002757 26O 2dx2y2 0.158381 0.031942 -0.036651 -0.018415 -0.155415 -0.252441 26O 2dxy 0.107020 0.014340 0.026786 -0.084759 -0.283394 -0.190017 26O 1f0 0.000529 -0.000420 0.004313 0.001056 -0.000921 0.005037 26O 1f+1 -0.001662 0.001216 0.002242 -0.000015 0.000132 0.000751 26O 1f-1 -0.000101 -0.001720 -0.000787 -0.002178 0.001651 -0.000529 26O 1f+2 -0.002381 -0.001410 -0.000716 0.003399 -0.000851 0.003627 26O 1f-2 0.002849 0.000457 -0.004948 0.000093 -0.003905 -0.007032 26O 1f+3 -0.000972 0.002354 0.001542 0.002108 -0.001937 -0.000981 26O 1f-3 -0.000171 0.002462 0.014336 0.000618 -0.002761 0.006813 27O 1s 0.000467 -0.005225 -0.002701 0.001192 -0.000642 -0.001855 27O 2s -0.000144 -0.013750 -0.005319 0.002687 -0.002443 -0.005069 27O 3s 0.035819 0.019321 -0.028120 0.009686 0.019664 0.017693 27O 4s -0.238465 0.334534 0.418181 -0.166647 -0.103557 -0.005666 27O 5s 0.057308 -0.027093 -0.781813 0.101664 -0.036231 -0.308354 27O 1pz 0.029668 -0.055057 -0.050414 0.009372 0.006945 0.027618 27O 1px 0.019758 -0.039952 0.045154 -0.018550 -0.007249 0.038153 27O 1py -0.058082 0.023352 -0.063624 -0.039831 -0.013706 0.052108 27O 2pz -0.029388 0.061845 0.059205 -0.023032 0.007507 0.010980 27O 2px 0.081818 -0.116218 -0.175931 0.094346 0.075793 0.004848 27O 2py 0.019620 0.002974 0.031741 0.004125 -0.021213 -0.065219 27O 3pz 0.185693 -0.165640 0.090489 0.021797 -0.060560 -0.123859 27O 3px -0.077981 -0.238902 0.459946 0.050750 -0.024399 0.152711 27O 3py -0.207797 -0.113859 -0.142871 -0.129844 0.063263 0.343090 27O 1dz2 0.000491 -0.004576 0.007385 0.002109 0.000584 -0.001629 27O 1dxz 0.002852 -0.003748 0.001036 0.001845 -0.000361 -0.002582 27O 1dyz -0.004301 0.004438 -0.001639 -0.001912 0.000389 0.007502 27O 1dx2y2 -0.002070 -0.001517 -0.000980 0.000373 0.006759 0.000568 27O 1dxy -0.001545 0.006070 0.004847 0.000760 0.000495 -0.002510 27O 2dz2 0.033123 -0.080604 0.217691 0.062782 0.009107 -0.067674 27O 2dxz -0.064978 0.069290 0.003533 0.079473 -0.033986 -0.075554 27O 2dyz -0.120874 0.048134 0.023045 -0.078672 -0.047838 0.146148 27O 2dx2y2 -0.074171 0.154362 -0.050158 0.079839 0.089341 -0.142945 27O 2dxy 0.162320 0.151353 0.216275 0.005296 -0.009734 -0.141122 27O 1f0 0.000058 0.000378 -0.001537 -0.001501 0.000067 0.000296 27O 1f+1 -0.001895 0.004783 0.008068 -0.001936 -0.000492 -0.000313 27O 1f-1 0.002119 -0.002457 -0.000114 0.002471 0.003020 -0.003799 27O 1f+2 0.002453 -0.002450 -0.000487 -0.001375 -0.001579 -0.000002 27O 1f-2 0.001682 -0.003145 0.001438 -0.000989 -0.002588 -0.000961 27O 1f+3 -0.002129 -0.000534 0.004209 -0.004662 -0.001249 0.005899 27O 1f-3 0.001591 0.000862 -0.005939 0.006961 -0.002348 -0.006705 28O 1s -0.002405 0.001627 0.001685 0.002398 0.000388 0.001615 28O 2s -0.007281 0.003053 0.003021 0.006136 0.001048 0.003871 28O 3s 0.026489 0.025076 0.014738 -0.010073 0.008330 0.006342 28O 4s -0.006954 -0.338949 -0.266599 -0.042145 -0.021787 -0.110522 28O 5s 0.632300 0.873568 1.193226 -0.675768 -0.952121 -0.997744 28O 1pz 0.069498 -0.015698 -0.071965 0.033862 0.043050 -0.002848 28O 1px 0.031484 0.044827 0.022635 0.000539 -0.028798 -0.031346 28O 1py 0.054138 0.025241 0.015682 0.048307 -0.015019 -0.012905 28O 2pz -0.121927 0.054338 0.012139 0.058174 0.083870 0.179888 28O 2px 0.053745 -0.104614 -0.040275 -0.062898 -0.049265 -0.145565 28O 2py -0.037759 -0.039075 -0.052685 -0.047690 0.042267 0.085789 28O 3pz -0.195367 -0.126368 -0.644897 0.110668 0.379981 -0.001860 28O 3px 0.508907 0.313545 0.474041 -0.302777 -0.270649 -0.428637 28O 3py 0.020120 0.147017 0.145395 0.296088 -0.065824 -0.074116 28O 1dz2 0.006344 -0.001174 0.000388 -0.004609 -0.000524 0.001814 28O 1dxz 0.003553 -0.001458 -0.006619 -0.003269 0.001023 -0.004427 28O 1dyz 0.002454 0.001550 0.004274 0.006906 0.001018 -0.004714 28O 1dx2y2 -0.000020 -0.001708 -0.000176 -0.007183 -0.001198 0.007437 28O 1dxy 0.001087 0.000319 0.000225 0.002161 -0.001754 0.001609 28O 2dz2 -0.013076 0.056050 0.185411 -0.079415 -0.109813 0.032215 28O 2dxz -0.004452 -0.136132 -0.280251 -0.013539 0.226012 0.047481 28O 2dyz 0.056768 0.106011 0.099971 -0.050190 -0.007533 -0.060381 28O 2dx2y2 0.111864 0.019854 0.048132 -0.133218 -0.032940 -0.030871 28O 2dxy 0.108054 0.026605 0.093146 0.139272 -0.041953 0.056504 28O 1f0 -0.003323 0.000663 0.003219 0.003768 0.000860 -0.003510 28O 1f+1 0.000900 -0.005450 -0.001757 -0.003667 -0.004524 -0.005313 28O 1f-1 -0.005867 0.003248 -0.000291 -0.000532 0.001799 0.008503 28O 1f+2 -0.002019 0.005286 0.004195 0.007473 0.000940 0.003325 28O 1f-2 0.001139 -0.001731 -0.000920 -0.000918 -0.000820 -0.006229 28O 1f+3 -0.002849 0.003259 0.001690 0.001032 0.000894 0.001627 28O 1f-3 0.001235 -0.002478 -0.000093 -0.003037 -0.001631 -0.000002 29O 1s 0.004436 -0.001566 -0.008640 -0.000879 -0.000605 -0.000857 29O 2s 0.018377 -0.004930 -0.029108 -0.003412 -0.000995 -0.002759 29O 3s -0.198503 0.017897 0.207466 0.040382 -0.010248 0.019571 29O 4s 0.571586 -0.033317 -0.350127 -0.080030 0.075963 -0.042583 29O 5s -0.108488 0.183431 -0.257360 -0.163457 -0.003766 0.114196 29O 1pz 0.052562 -0.006232 -0.003597 0.003071 -0.011074 -0.010992 29O 1px -0.079724 0.036422 0.044575 -0.009863 -0.039313 -0.010289 29O 1py 0.035200 0.028759 -0.037309 -0.010570 0.005890 0.018432 29O 2pz -0.247425 -0.118379 0.093055 -0.120799 0.344949 0.081752 29O 2px 0.069749 -0.012394 -0.112619 -0.105416 0.135129 0.008118 29O 2py -0.173543 -0.040957 0.137106 0.065712 -0.056899 -0.020317 29O 3pz 0.140552 0.052551 -0.041035 0.062485 -0.236024 -0.066721 29O 3px -0.003478 -0.073073 0.151258 0.104186 -0.078674 -0.043598 29O 3py -0.167293 0.108678 0.184321 -0.010404 -0.025155 -0.012702 29O 1dz2 -0.001791 -0.004496 0.001027 -0.000613 0.006027 0.002785 29O 1dxz 0.004896 0.000321 0.000352 0.003421 -0.002889 0.000646 29O 1dyz -0.002614 -0.001006 0.001637 -0.002649 0.005511 0.001217 29O 1dx2y2 0.000998 0.001945 -0.002842 -0.000903 -0.004371 -0.002522 29O 1dxy 0.001776 -0.001778 0.000097 -0.002749 0.001350 -0.001992 29O 2dz2 0.116262 0.043934 -0.055845 0.127563 -0.119089 -0.024270 29O 2dxz -0.018556 -0.167469 0.032053 -0.152241 0.279149 0.081597 29O 2dyz -0.169137 -0.044464 0.081535 -0.153504 0.158037 0.059265 29O 2dx2y2 -0.330020 0.229119 0.088732 -0.221689 -0.004621 0.015461 29O 2dxy 0.108288 -0.065921 -0.060890 -0.026368 0.064166 0.004218 29O 1f0 -0.023532 0.000303 0.014467 0.002075 0.000612 0.000503 29O 1f+1 0.006307 -0.005377 -0.004811 -0.004364 0.009666 0.001295 29O 1f-1 -0.023631 -0.010109 0.015167 0.001914 0.012293 0.002841 29O 1f+2 0.014665 0.000101 -0.007214 0.004474 -0.005758 -0.001215 29O 1f-2 -0.002585 0.003763 0.007259 0.011601 -0.021742 -0.003070 29O 1f+3 -0.000016 -0.002395 -0.001417 -0.003534 0.008900 0.001596 29O 1f-3 -0.001482 -0.000398 -0.003810 -0.004065 0.011085 0.003975 30O 1s -0.000772 -0.002272 0.004602 0.001309 0.000626 0.003523 30O 2s -0.002041 -0.007188 0.011389 0.004106 0.001493 0.008578 30O 3s 0.007201 0.047680 0.006495 -0.019817 -0.003655 -0.002912 30O 4s -0.030520 -0.237597 -0.431779 -0.000945 -0.040163 -0.113413 30O 5s 0.402809 1.044863 -0.281964 0.015007 0.310378 -0.876574 30O 1pz 0.047382 -0.010047 0.025496 0.009095 0.010565 -0.001971 30O 1px 0.016714 0.009164 -0.000542 0.004096 0.047573 0.012313 30O 1py -0.036531 0.089337 0.067249 0.022380 -0.035089 -0.102320 30O 2pz -0.060963 0.027911 0.074103 0.011366 -0.018574 0.052727 30O 2px 0.019137 -0.038772 -0.177472 -0.018807 0.002256 -0.101434 30O 2py 0.028191 -0.051583 -0.179888 -0.015606 0.041337 -0.021303 30O 3pz 0.154504 -0.328651 0.595504 0.098045 0.044326 0.280541 30O 3px 0.306577 0.289989 -0.211620 -0.060065 0.188078 -0.296388 30O 3py -0.082698 0.354083 -0.038390 0.119386 0.048378 -0.656502 30O 1dz2 0.004136 -0.002875 0.006950 -0.001368 -0.001514 0.000515 30O 1dxz 0.002636 -0.005657 0.002282 0.000557 -0.000289 0.000009 30O 1dyz -0.000863 0.005707 -0.006776 0.002326 -0.002370 -0.007403 30O 1dx2y2 0.000778 -0.001603 0.003511 0.002286 -0.003680 -0.001619 30O 1dxy -0.001869 0.004028 0.005187 0.000295 0.000065 -0.005093 30O 2dz2 -0.031673 -0.080243 -0.077062 -0.073186 -0.056561 0.112152 30O 2dxz 0.074615 -0.133264 0.197118 0.049393 -0.006642 0.000990 30O 2dyz 0.063386 -0.130992 -0.095302 0.039740 -0.059367 0.026082 30O 2dx2y2 0.105479 -0.156895 -0.061264 -0.020973 0.083013 0.114245 30O 2dxy -0.099706 0.124641 0.068690 0.102226 0.024100 -0.288326 30O 1f0 0.000692 -0.003426 -0.009045 0.001130 0.002593 -0.003956 30O 1f+1 -0.000811 0.001749 -0.001578 -0.000261 0.000025 0.001056 30O 1f-1 0.003001 -0.003092 0.003430 -0.001120 -0.000880 0.001161 30O 1f+2 0.000602 -0.000714 0.000187 -0.001116 0.001491 0.001836 30O 1f-2 -0.004031 -0.001169 0.006569 0.002171 0.000170 0.007790 30O 1f+3 0.000122 0.001936 -0.000844 -0.001759 0.000752 -0.002949 30O 1f-3 -0.003452 0.001355 -0.001191 -0.001170 0.002186 0.005638 31O 1s -0.000439 0.002209 -0.004691 -0.000874 0.001029 0.003480 31O 2s -0.001415 0.006986 -0.011611 -0.003033 0.002650 0.008518 31O 3s 0.033841 -0.046088 -0.006522 0.019117 -0.008282 -0.004205 31O 4s -0.193639 0.232169 0.436448 -0.013999 -0.039178 -0.107012 31O 5s -0.963319 -1.018915 0.318775 -0.160915 0.279657 -0.822765 31O 1pz -0.032043 -0.012211 0.025647 0.007099 -0.011296 0.001804 31O 1px 0.038956 0.010989 -0.000514 0.001977 -0.048682 -0.012593 31O 1py -0.008024 0.088960 0.066581 0.033182 0.035950 0.098546 31O 2pz -0.092221 0.031570 0.078731 -0.001190 0.015855 -0.050729 31O 2px 0.101521 -0.039281 -0.182587 -0.003193 0.001850 0.097975 31O 2py 0.138384 -0.051769 -0.185301 -0.005566 -0.039706 0.018613 31O 3pz -0.477919 -0.330982 0.607462 0.053801 -0.066015 -0.261745 31O 3px 0.415945 0.279538 -0.223219 -0.009074 -0.179198 0.281752 31O 3py 0.633619 0.369520 -0.046378 0.164421 -0.050889 0.616233 31O 1dz2 0.001022 0.003167 -0.006816 0.000893 -0.001552 0.000285 31O 1dxz -0.000058 0.005764 -0.002187 -0.000835 -0.000082 -0.000073 31O 1dyz 0.005422 -0.005613 0.006831 -0.002978 -0.002638 -0.007033 31O 1dx2y2 -0.000276 0.001839 -0.003605 -0.002497 -0.003453 -0.001432 31O 1dxy 0.000930 -0.004257 -0.005316 -0.000284 0.000012 -0.005030 31O 2dz2 0.001004 0.083146 0.078980 0.072852 -0.062947 0.103710 31O 2dxz 0.165721 0.133981 -0.200622 -0.041158 0.000668 -0.002751 31O 2dyz 0.197031 0.136325 0.093254 -0.036159 -0.054630 0.026813 31O 2dx2y2 -0.011739 0.156874 0.058878 0.033425 0.086320 0.108647 31O 2dxy -0.217746 -0.135954 -0.067144 -0.120681 0.033171 -0.271895 31O 1f0 0.004941 -0.003312 -0.009344 0.001618 -0.002622 0.003645 31O 1f+1 -0.000720 0.001742 -0.001472 -0.000504 0.000185 -0.001038 31O 1f-1 0.000967 -0.003346 0.003277 -0.000733 0.000991 -0.000981 31O 1f+2 -0.000163 -0.000698 0.000048 -0.001148 -0.001466 -0.001838 31O 1f-2 0.001378 -0.000933 0.006842 0.001101 -0.000766 -0.007752 31O 1f+3 -0.002836 0.002063 -0.000881 -0.001617 -0.000434 0.003092 31O 1f-3 -0.000195 0.001740 -0.000960 -0.002050 -0.002212 -0.005384 32O 1s 0.000410 0.001593 0.008578 0.000818 -0.001076 -0.000942 32O 2s 0.004451 0.005006 0.028864 0.003345 -0.002656 -0.003112 32O 3s -0.083388 -0.017922 -0.205285 -0.042102 0.004117 0.023978 32O 4s 0.367068 0.032945 0.344398 0.088841 0.049621 -0.052575 32O 5s -0.353628 -0.187413 0.258536 0.177537 -0.037132 0.100974 32O 1pz -0.031132 -0.008664 -0.000949 0.004806 0.010492 0.010794 32O 1px 0.074041 0.035736 0.043919 -0.004158 0.038738 0.010216 32O 1py 0.003722 0.029544 -0.036915 -0.014615 -0.001367 -0.017901 32O 2pz 0.043400 -0.104133 0.084018 -0.151093 -0.338729 -0.061877 32O 2px -0.012426 -0.004922 -0.115086 -0.116935 -0.115450 0.005716 32O 2py 0.067701 -0.046089 0.137368 0.071465 0.032282 0.012182 32O 3pz 0.076069 0.045898 -0.040601 0.081163 0.232544 0.057198 32O 3px -0.116015 -0.079792 0.151375 0.116543 0.056712 0.032813 32O 3py 0.180555 0.114148 0.180025 -0.005703 0.027733 0.014112 32O 1dz2 0.003629 0.004367 -0.000986 0.001093 0.005749 0.002526 32O 1dxz 0.003143 -0.000159 -0.000411 -0.003621 -0.002600 0.001070 32O 1dyz -0.001566 0.000942 -0.001556 0.003143 0.005558 0.000946 32O 1dx2y2 -0.003030 -0.001925 0.002925 0.000187 -0.004900 -0.002560 32O 1dxy -0.000303 0.001649 -0.000036 0.002540 0.000882 -0.002402 32O 2dz2 -0.044240 -0.043696 0.057517 -0.136562 -0.113494 -0.007449 32O 2dxz 0.284222 0.166318 -0.036570 0.172502 0.270388 0.055887 32O 2dyz 0.054473 0.038016 -0.081746 0.164068 0.144747 0.037498 32O 2dx2y2 -0.368603 -0.238836 -0.082155 0.212168 -0.037904 -0.007194 32O 2dxy 0.132468 0.066691 0.056241 0.038018 0.067064 0.000370 32O 1f0 0.013736 0.000975 0.013296 0.002097 -0.000988 -0.000638 32O 1f+1 -0.008134 -0.005167 -0.005286 -0.005687 -0.009575 -0.000647 32O 1f-1 0.006205 -0.009694 0.015395 0.001487 -0.013186 -0.002675 32O 1f+2 -0.007602 0.000156 -0.007730 0.004426 0.005580 0.000615 32O 1f-2 0.001960 0.002775 0.007080 0.013547 0.020087 0.001522 32O 1f+3 -0.001931 -0.002009 -0.001222 -0.003824 -0.007820 -0.000992 32O 1f-3 0.000410 0.000055 -0.003646 -0.005536 -0.010594 -0.003477 33O 1s 0.001522 -0.001514 -0.001706 -0.002323 0.000367 0.001808 33O 2s 0.003805 -0.002781 -0.003055 -0.005956 0.001006 0.004360 33O 3s -0.000327 -0.026132 -0.015233 0.011899 0.007420 0.005198 33O 4s -0.067314 0.337871 0.271671 0.031885 -0.010366 -0.110140 33O 5s -0.720215 -0.858601 -1.200092 0.498916 -0.972616 -1.044358 33O 1pz -0.073393 -0.017108 -0.072240 0.032525 -0.043979 -0.002056 33O 1px 0.016950 0.043154 0.023444 0.007139 0.029356 0.030214 33O 1py -0.032135 0.023281 0.016714 0.049254 0.014605 0.007003 33O 2pz -0.018445 0.056267 0.014078 0.034241 -0.080970 -0.180393 33O 2px 0.021579 -0.103484 -0.042754 -0.047177 0.045588 0.148571 33O 2py 0.001441 -0.038402 -0.052139 -0.058719 -0.039044 -0.079250 33O 3pz -0.342119 -0.105448 -0.652351 0.089448 -0.367131 -0.012863 33O 3px 0.268579 0.297141 0.474500 -0.221947 0.274465 0.443932 33O 3py -0.286713 0.152430 0.157595 0.295166 0.063037 0.048669 33O 1dz2 0.000683 0.001363 -0.000542 0.004933 -0.000825 0.001501 33O 1dxz 0.001619 0.001356 0.006721 0.002853 0.000857 -0.004523 33O 1dyz 0.004400 -0.001317 -0.004139 -0.007681 0.001382 -0.003942 33O 1dx2y2 -0.002836 0.002004 0.000120 0.007584 -0.001515 0.006750 33O 1dxy 0.001183 -0.000149 -0.000374 -0.002100 -0.001704 0.001861 33O 2dz2 -0.102371 -0.052805 -0.187965 0.081675 -0.118115 0.021863 33O 2dxz 0.175296 0.126294 0.284967 0.031832 0.223378 0.046577 33O 2dyz -0.005971 -0.100117 -0.096459 0.032604 -0.008912 -0.061940 33O 2dx2y2 -0.046204 -0.013160 -0.046434 0.117387 -0.037103 -0.040533 33O 2dxy 0.158389 -0.023366 -0.103382 -0.127474 -0.040978 0.067576 33O 1f0 -0.000505 0.000797 0.003035 0.004113 -0.001243 0.003216 33O 1f+1 0.001361 -0.005332 -0.001883 -0.003017 0.004436 0.005697 33O 1f-1 0.001323 0.003175 -0.000112 -0.001439 -0.001449 -0.008332 33O 1f+2 -0.000240 0.005043 0.004214 0.007424 -0.001010 -0.003959 33O 1f-2 0.000582 -0.001476 -0.001000 -0.000380 0.000814 0.006321 33O 1f+3 -0.000027 0.003276 0.001615 0.001022 -0.000734 -0.001604 33O 1f-3 0.000365 -0.002436 -0.000027 -0.003031 0.001642 0.000335 34O 1s -0.000338 0.005276 0.002745 -0.001402 -0.000364 -0.001778 34O 2s -0.001493 0.013858 0.005419 -0.003273 -0.001690 -0.004934 34O 3s 0.030185 -0.018291 0.028200 -0.007646 0.018564 0.018922 34O 4s -0.119460 -0.342762 -0.421327 0.167687 -0.122185 -0.020707 34O 5s -0.567789 0.036392 0.783366 -0.177239 -0.042040 -0.264437 34O 1pz -0.010998 -0.055020 -0.049695 0.005641 -0.009773 -0.027895 34O 1px -0.035781 -0.039592 0.047286 -0.024535 0.005947 -0.033836 34O 1py 0.038154 0.024585 -0.064652 -0.039122 0.018159 -0.048516 34O 2pz -0.020134 0.061442 0.058140 -0.022420 -0.002446 -0.008320 34O 2px -0.095418 -0.119506 -0.181476 0.095496 -0.085322 -0.012393 34O 2py 0.037829 0.002286 0.033591 0.008012 0.021456 0.063478 34O 3pz -0.030421 -0.172290 0.093893 0.035647 0.051456 0.123299 34O 3px -0.321904 -0.248450 0.462915 0.009047 0.003283 -0.129906 34O 3py 0.427539 -0.086550 -0.142822 -0.158357 -0.065551 -0.332415 34O 1dz2 -0.000956 0.004319 -0.007553 -0.001799 0.001157 -0.001603 34O 1dxz -0.000322 0.003681 -0.001137 -0.001652 0.000095 -0.002412 34O 1dyz 0.000814 -0.004339 0.001676 0.002257 0.000062 0.007285 34O 1dx2y2 -0.004045 0.001004 0.001208 -0.000109 0.006964 0.000650 34O 1dxy 0.001198 -0.006117 -0.004725 -0.001210 0.000315 -0.002442 34O 2dz2 0.076711 0.076482 -0.221542 -0.056220 0.024490 -0.068736 34O 2dxz -0.028323 -0.069920 -0.002646 -0.084311 -0.026503 -0.064387 34O 2dyz -0.053159 -0.046817 -0.022916 0.085595 -0.053999 0.136903 34O 2dx2y2 -0.154184 -0.165557 0.054807 -0.089937 0.090513 -0.126811 34O 2dxy 0.252333 -0.139956 -0.214560 -0.018163 -0.014887 -0.142090 34O 1f0 0.003716 0.000536 -0.001417 -0.001806 -0.000030 -0.000203 34O 1f+1 0.001516 0.005008 0.008394 -0.002272 0.000682 0.000631 34O 1f-1 -0.000061 -0.002254 -0.000222 0.002561 -0.003343 0.003569 34O 1f+2 0.000816 -0.002494 -0.000465 -0.001288 0.001673 0.000132 34O 1f-2 0.001922 -0.003124 0.001649 -0.001203 0.002320 0.001028 34O 1f+3 0.001369 -0.000516 0.004301 -0.005019 0.001589 -0.005339 34O 1f-3 -0.004255 0.000715 -0.006078 0.007689 0.002010 0.005938 35O 1s -0.000304 0.001979 0.006838 -0.003303 0.001216 0.000325 35O 2s -0.000774 0.004977 0.017495 -0.009522 0.003510 0.002004 35O 3s 0.021357 -0.003864 -0.005560 0.035116 0.005091 -0.023090 35O 4s -0.153365 -0.144826 -0.516100 0.099278 -0.070988 0.158959 35O 5s -1.257247 -0.043919 -0.456233 -0.460741 -1.374257 -0.666606 35O 1pz -0.021983 -0.001025 0.039851 0.038574 -0.017613 -0.052250 35O 1px -0.038265 -0.011022 0.029892 0.005335 -0.064660 -0.057603 35O 1py -0.006789 -0.029144 -0.011821 -0.000312 -0.064933 -0.045871 35O 2pz -0.071147 -0.006361 -0.057117 -0.034632 -0.013333 0.060175 35O 2px -0.178880 -0.046165 -0.316318 0.014061 -0.104541 0.120821 35O 2py -0.122289 0.004710 -0.126576 0.004763 -0.029137 0.093516 35O 3pz -0.027914 -0.044513 -0.105156 -0.195025 -0.256388 -0.307286 35O 3px -0.623905 -0.053094 -0.491421 -0.230500 -0.893053 -0.658011 35O 3py -0.313294 -0.127988 -0.294297 -0.044076 -0.552895 -0.409849 35O 1dz2 -0.004965 0.000189 -0.000146 0.003931 0.005509 0.001350 35O 1dxz 0.000510 0.003497 0.002811 0.000240 0.003014 0.001686 35O 1dyz -0.002144 0.003359 0.000038 -0.003488 -0.000855 0.005166 35O 1dx2y2 -0.001089 -0.001396 0.003553 0.002275 -0.001867 -0.012488 35O 1dxy -0.000557 0.002476 0.002015 0.001107 -0.003354 -0.003072 35O 2dz2 0.080767 0.068872 0.132606 0.065573 0.282209 0.057090 35O 2dxz -0.084016 0.048722 0.109539 -0.087911 -0.042811 -0.060308 35O 2dyz 0.000142 0.099231 0.037616 -0.055775 -0.095769 0.000894 35O 2dx2y2 -0.104621 -0.032227 0.041501 -0.023724 -0.147690 -0.249817 35O 2dxy -0.173169 -0.005912 -0.022473 0.037347 -0.284030 -0.194213 35O 1f0 -0.003523 -0.000810 0.004444 0.000772 0.000928 -0.004994 35O 1f+1 0.001261 0.001073 0.002101 0.000314 -0.000197 -0.000777 35O 1f-1 -0.004144 -0.001714 -0.000827 -0.002010 -0.001578 0.000828 35O 1f+2 0.003029 -0.001365 -0.000701 0.002975 0.000691 -0.003869 35O 1f-2 -0.001635 0.000678 -0.004871 0.000556 0.004094 0.006986 35O 1f+3 0.001927 0.002308 0.001456 0.002421 0.001643 0.000645 35O 1f-3 0.003339 0.002028 0.014701 0.000199 0.002728 -0.006878 402 403 404 405 406 407 2.17538 2.19784 2.21033 2.21351 2.21754 2.22630 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s 0.000037 -0.001880 0.000025 -0.000035 0.001131 0.000136 0Rh 2s 0.000060 0.008516 -0.000690 0.001655 -0.006924 -0.001366 0Rh 3s 0.000255 -0.005877 -0.000274 0.000807 0.002441 -0.000035 0Rh 4s -0.000319 -0.042844 0.003508 -0.008319 0.035275 0.006934 0Rh 5s 0.001826 0.056247 -0.008308 0.019031 -0.062233 -0.013848 0Rh 6s -0.005036 0.051307 0.011102 -0.021420 0.037713 0.011305 0Rh 7s 0.007063 -0.164637 -0.043290 0.014629 -0.555756 -0.002395 0Rh 8s -0.117562 0.687286 0.175331 -0.509709 -0.394317 0.172646 0Rh 1pz -0.004826 0.000481 0.001175 -0.002300 -0.000250 -0.000617 0Rh 1px -0.002256 0.005258 0.000733 0.002084 -0.013723 0.001956 0Rh 1py 0.004759 0.002941 0.000721 0.003771 -0.001746 -0.000296 0Rh 2pz 0.016785 -0.001025 -0.004180 0.008123 0.000747 0.002208 0Rh 2px 0.007803 -0.019861 -0.002581 -0.007378 0.048271 -0.007107 0Rh 2py -0.016686 -0.010491 -0.002311 -0.012607 0.005919 0.000854 0Rh 3pz -0.006188 -0.013656 0.003756 -0.005910 0.002477 -0.002181 0Rh 3px -0.002114 0.041287 0.001596 0.005355 -0.030279 0.008995 0Rh 3py 0.010035 0.009822 -0.003267 -0.006179 0.000816 0.003358 0Rh 4pz -0.089972 0.064696 0.012223 -0.030506 -0.015499 -0.005853 0Rh 4px -0.044559 -0.034084 0.010247 0.030242 -0.204058 0.011430 0Rh 4py 0.069938 0.030231 0.028997 0.111925 -0.043363 -0.019412 0Rh 5pz 0.162917 -0.127501 -0.020288 0.052416 0.021636 0.008702 0Rh 5px 0.082521 0.067247 -0.013166 -0.070490 0.375514 -0.016261 0Rh 5py -0.123986 -0.051377 -0.053272 -0.210194 0.088005 0.035388 0Rh 6pz 0.434667 0.205978 -0.012058 0.290254 0.376021 0.096116 0Rh 6px 0.102956 -0.850409 -0.011708 0.674306 0.167173 -0.164139 0Rh 6py 0.091667 -0.243808 -0.196551 -0.063871 -0.679985 0.050014 0Rh 1dz2 0.006869 -0.005204 0.013966 -0.009464 -0.003037 -0.001844 0Rh 1dxz -0.008746 0.011953 0.007637 -0.010227 -0.017577 -0.000759 0Rh 1dyz 0.006867 0.003904 0.002709 0.005958 -0.005975 -0.005446 0Rh 1dx2y2 0.002461 -0.014990 0.012726 -0.009962 0.005617 0.000377 0Rh 1dxy -0.011381 0.000434 0.007076 0.000562 0.015835 -0.000869 0Rh 2dz2 -0.001410 0.000983 -0.002041 0.000493 -0.001001 0.000518 0Rh 2dxz 0.001114 -0.000629 -0.000138 0.000020 0.000776 0.000497 0Rh 2dyz -0.001221 -0.000474 -0.001227 -0.001161 0.000042 0.000829 0Rh 2dx2y2 0.000915 0.001156 -0.001980 0.003204 0.001338 -0.000550 0Rh 2dxy -0.000276 -0.000322 -0.002028 -0.001193 -0.000661 0.000491 0Rh 3dz2 -0.011912 0.009548 -0.028056 0.023254 0.012531 0.002645 0Rh 3dxz 0.018268 -0.028804 -0.019771 0.027429 0.043519 -0.000186 0Rh 3dyz -0.012648 -0.008248 -0.001062 -0.010655 0.015733 0.010908 0Rh 3dx2y2 -0.010439 0.034669 -0.025054 0.012390 -0.020925 0.001451 0Rh 3dxy 0.031246 0.000161 -0.009579 0.003636 -0.039370 0.000168 0Rh 4dz2 -0.021508 0.013465 -0.033436 0.004849 -0.014067 0.006744 0Rh 4dxz 0.017058 -0.014598 -0.002438 -0.002399 0.013216 0.007746 0Rh 4dyz -0.019499 -0.007409 -0.031661 -0.018395 0.001935 0.010424 0Rh 4dx2y2 0.011100 0.020478 -0.032373 0.047628 0.019100 -0.008625 0Rh 4dxy 0.000059 -0.003133 -0.036098 -0.015003 -0.011306 0.005687 0Rh 5dz2 0.095126 -0.051184 0.212134 -0.019156 0.026813 0.008258 0Rh 5dxz -0.096904 0.149364 0.035081 0.003142 -0.139572 -0.043695 0Rh 5dyz 0.066594 0.033815 0.314139 0.079397 -0.044858 0.040579 0Rh 5dx2y2 -0.027957 -0.157268 0.186823 -0.217027 -0.026077 0.055426 0Rh 5dxy -0.067453 -0.001224 0.245671 0.046270 0.109372 0.023360 0Rh 1f0 0.060340 0.073360 0.054705 0.103266 -0.070355 0.079932 0Rh 1f+1 -0.072493 0.044374 -0.134183 0.240477 -0.005017 -0.125826 0Rh 1f-1 0.199437 0.024390 0.080475 -0.043641 0.024504 0.143241 0Rh 1f+2 0.126412 0.141102 0.010078 0.037904 -0.110799 0.114702 0Rh 1f-2 -0.069194 -0.030719 -0.127636 -0.101201 -0.003550 -0.284090 0Rh 1f+3 0.170642 0.041553 0.011420 0.027512 -0.004081 0.050356 0Rh 1f-3 -0.259034 -0.139949 0.160241 0.059022 0.106365 0.178682 1Rh 1s -0.000116 0.001841 -0.000054 -0.000128 0.001178 -0.000125 1Rh 2s 0.000710 -0.008304 0.000792 -0.000453 -0.007415 0.001290 1Rh 3s -0.000250 0.005779 0.000166 -0.001037 0.002416 0.000050 1Rh 4s -0.003585 0.041777 -0.004017 0.002189 0.037746 -0.006551 1Rh 5s 0.005903 -0.054640 0.008778 -0.007324 -0.066983 0.013155 1Rh 6s -0.000646 -0.050790 -0.009610 0.011335 0.040524 -0.010938 1Rh 7s -0.018993 0.155392 0.035719 0.078852 -0.545534 0.001373 1Rh 8s -0.072015 -0.694159 -0.174557 0.541645 -0.285385 -0.172348 1Rh 1pz 0.004481 0.000718 0.001140 -0.002202 0.000045 -0.000637 1Rh 1px 0.002329 0.005513 0.000742 0.000163 0.013849 0.001969 1Rh 1py -0.004805 0.002772 0.000609 0.003629 0.002081 -0.000261 1Rh 2pz -0.015577 -0.001837 -0.004055 0.007771 -0.000036 0.002279 1Rh 2px -0.008109 -0.020753 -0.002613 -0.000617 -0.048689 -0.007150 1Rh 2py 0.016856 -0.009892 -0.001911 -0.012147 -0.007019 0.000729 1Rh 3pz 0.005541 -0.013596 0.003707 -0.005568 -0.002754 -0.002211 1Rh 3px 0.003316 0.041736 0.001700 0.000983 0.029963 0.008982 1Rh 3py -0.010344 0.009349 -0.003629 -0.005667 -0.001832 0.003485 1Rh 4pz 0.084424 0.070016 0.011544 -0.029584 0.011806 -0.006201 1Rh 4px 0.041808 -0.029815 0.010045 0.002326 0.208501 0.011771 1Rh 4py -0.069686 0.028112 0.027737 0.106804 0.055126 -0.019098 1Rh 5pz -0.152286 -0.137174 -0.018995 0.050136 -0.015095 0.009307 1Rh 5px -0.077947 0.059203 -0.012835 -0.019734 -0.385955 -0.016888 1Rh 5py 0.122806 -0.047600 -0.051375 -0.199510 -0.110276 0.035004 1Rh 6pz -0.494372 0.198447 -0.005916 0.339455 -0.335119 0.094713 1Rh 6px -0.120842 -0.851301 -0.013318 0.698804 -0.052558 -0.161938 1Rh 6py -0.084573 -0.239019 -0.162735 -0.186224 0.681701 0.040448 1Rh 1dz2 0.007676 0.005540 -0.013976 0.010108 -0.001975 0.001807 1Rh 1dxz -0.009690 -0.012640 -0.007453 0.012196 -0.015994 0.000689 1Rh 1dyz 0.006514 -0.003986 -0.002851 -0.004903 -0.006451 0.005412 1Rh 1dx2y2 0.001991 0.014737 -0.012991 0.008830 0.006911 -0.000288 1Rh 1dxy -0.010834 -0.000328 -0.006180 -0.003471 0.015431 0.000677 1Rh 2dz2 -0.001248 -0.001007 0.002043 -0.000358 -0.001036 -0.000509 1Rh 2dxz 0.001308 0.000675 0.000173 -0.000188 0.000770 -0.000495 1Rh 2dyz -0.001191 0.000506 0.001089 0.001288 0.000178 -0.000818 1Rh 2dx2y2 0.000639 -0.001100 0.002002 -0.003266 0.000911 0.000537 1Rh 2dxy -0.000339 0.000309 0.001895 0.001438 -0.000543 -0.000468 1Rh 3dz2 -0.014771 -0.010341 0.028081 -0.025572 0.009828 -0.002583 1Rh 3dxz 0.019890 0.030416 0.019130 -0.031952 0.039292 0.000363 1Rh 3dyz -0.011856 0.008317 0.002060 0.007264 0.016395 -0.010863 1Rh 3dx2y2 -0.007948 -0.034234 0.025673 -0.009106 -0.022486 -0.001633 1Rh 3dxy 0.030092 -0.000386 0.007787 0.003037 -0.038799 0.000247 1Rh 4dz2 -0.019204 -0.013807 0.033381 -0.002933 -0.014287 -0.006631 1Rh 4dxz 0.020262 0.015529 0.002884 -0.000166 0.013455 -0.007709 1Rh 4dyz -0.018902 0.008006 0.029625 0.020240 0.003983 -0.010283 1Rh 4dx2y2 0.006776 -0.019727 0.032566 -0.048288 0.012697 0.008442 1Rh 4dxy -0.001237 0.002948 0.033960 0.019021 -0.009770 -0.005343 1Rh 5dz2 0.090943 0.053911 -0.211664 0.017037 0.027158 -0.008639 1Rh 5dxz -0.111863 -0.156810 -0.035439 0.016588 -0.138927 0.043232 1Rh 5dyz 0.063620 -0.037223 -0.307944 -0.080630 -0.052059 -0.040939 1Rh 5dx2y2 -0.013962 0.153467 -0.187934 0.210248 0.004056 -0.054310 1Rh 5dxy -0.059024 0.001804 -0.234192 -0.074019 0.102990 -0.025172 1Rh 1f0 -0.086209 0.077209 0.056263 0.093282 0.080739 0.079843 1Rh 1f+1 0.055656 0.043768 -0.133683 0.237178 0.033762 -0.125086 1Rh 1f-1 -0.198361 0.020876 0.083016 -0.043878 -0.029643 0.142869 1Rh 1f+2 -0.123449 0.141391 0.011633 0.020444 0.111458 0.114564 1Rh 1f-2 0.078712 -0.031027 -0.125154 -0.103527 -0.009264 -0.285401 1Rh 1f+3 -0.172020 0.036577 0.011299 0.023439 0.007187 0.050475 1Rh 1f-3 0.276340 -0.139991 0.151486 0.078090 -0.095779 0.180302 2C 1s 0.000816 0.001140 -0.002640 -0.001384 -0.000378 0.000042 2C 2s -0.001824 0.011311 0.003789 0.002351 -0.012506 -0.003137 2C 3s -0.008584 -0.152006 -0.028003 -0.037183 0.151083 0.020808 2C 4s 0.100874 0.477698 0.193194 0.211896 -0.441541 -0.048460 2C 5s -0.480101 -2.452102 -2.812114 -1.299840 2.887195 0.944826 2C 1pz -0.160957 -0.094495 0.187379 -0.004342 -0.022566 -0.049501 2C 1px 0.113614 0.008860 -0.101561 -0.067287 0.080486 0.087488 2C 1py 0.131963 0.124997 -0.012909 0.126063 -0.059714 -0.006473 2C 2pz 0.253952 0.421848 -0.004123 0.247909 -0.216922 0.058485 2C 2px -0.314963 -0.053268 0.348666 0.161538 -0.313022 -0.354238 2C 2py -0.316803 -0.076586 0.274606 -0.065016 -0.082837 -0.065267 2C 3pz -0.202024 -0.634621 -0.583177 -0.318548 0.667434 0.150908 2C 3px -0.014137 -0.046153 -0.197626 -0.160318 0.097423 0.190209 2C 3py 0.132456 -0.189286 -0.467818 -0.095201 0.387577 0.153018 2C 1dz2 0.004482 0.001689 -0.014652 -0.010837 0.008092 0.028769 2C 1dxz 0.003534 0.012010 0.010855 0.012989 -0.034088 -0.045714 2C 1dyz 0.006087 -0.006857 -0.020043 -0.008969 0.015866 0.006906 2C 1dx2y2 -0.010494 -0.032479 -0.006820 0.003421 0.014867 -0.006554 2C 1dxy 0.017168 0.014190 0.001141 -0.001564 -0.015559 -0.029433 2C 2dz2 0.211895 0.179350 -0.100820 0.124623 -0.050135 -0.007861 2C 2dxz -0.103072 0.046211 0.114546 0.114984 -0.040302 0.047244 2C 2dyz 0.029377 0.013157 0.011503 -0.000537 -0.031731 -0.049487 2C 2dx2y2 0.214947 0.149776 -0.134648 0.051675 -0.046144 -0.061269 2C 2dxy -0.256372 -0.193501 0.168646 -0.081888 0.036089 0.015945 2C 1f0 0.005764 -0.042611 -0.052816 -0.010698 0.033646 0.007348 2C 1f+1 -0.010819 -0.015760 0.017680 -0.012550 -0.008810 -0.019059 2C 1f-1 -0.007254 0.030591 0.040924 0.014908 -0.024301 0.010722 2C 1f+2 -0.019816 0.065589 0.075944 0.035365 -0.067036 -0.010923 2C 1f-2 0.040861 -0.037615 -0.080122 -0.026246 0.059157 0.004505 2C 1f+3 -0.022887 0.083668 0.111948 0.079776 -0.115615 -0.040111 2C 1f-3 -0.015160 -0.013751 0.012901 -0.001027 -0.010182 -0.008080 3C 1s 0.000673 0.000527 0.001948 -0.000556 0.000535 0.000978 3C 2s 0.002758 0.005301 -0.003403 -0.008402 -0.011227 0.002315 3C 3s -0.049027 -0.086842 0.019959 0.087464 0.156042 -0.003962 3C 4s 0.141640 0.334384 -0.092075 -0.180853 -0.538297 -0.079184 3C 5s 0.867714 -1.049922 2.139421 2.560890 4.103293 -0.015310 3C 1pz 0.063892 -0.006369 -0.076575 -0.126776 -0.129018 0.007303 3C 1px 0.048027 0.045786 0.140282 -0.081385 0.016455 -0.054199 3C 1py 0.085092 0.013405 0.127527 -0.090436 0.004636 -0.003542 3C 2pz -0.115205 0.138355 0.087338 0.196035 0.058812 -0.114239 3C 2px -0.074929 -0.102497 -0.445283 0.148602 -0.093134 0.218319 3C 2py -0.243692 -0.189222 0.011015 0.260372 0.366878 0.107033 3C 3pz 0.190211 -0.123658 0.274215 0.289689 0.514639 0.011114 3C 3px 0.129301 0.031120 0.274310 0.061161 0.232178 -0.087487 3C 3py -0.173192 0.253032 -0.433975 -0.615277 -0.930426 -0.026490 3C 1dz2 0.005174 -0.001637 0.001615 0.002395 0.005232 -0.017016 3C 1dxz -0.020026 0.029132 -0.009651 -0.016872 -0.034377 0.022758 3C 1dyz -0.006613 0.003731 -0.025772 -0.016758 -0.029003 0.019382 3C 1dx2y2 0.002888 -0.008724 -0.008664 0.009764 0.017658 0.023780 3C 1dxy 0.011915 0.006120 0.006168 0.003050 0.008095 -0.043439 3C 2dz2 -0.055456 0.020166 0.069218 0.000966 -0.000131 0.024990 3C 2dxz -0.060129 -0.066047 -0.192093 0.200163 0.043251 -0.130263 3C 2dyz 0.046243 -0.058959 -0.057909 -0.070664 -0.001684 -0.052881 3C 2dx2y2 -0.142053 -0.057788 -0.092925 0.177096 0.110571 0.018792 3C 2dxy -0.053018 0.016099 0.103474 -0.002163 -0.008225 0.045994 3C 1f0 0.000714 -0.030348 0.059586 0.067561 0.109558 0.010077 3C 1f+1 0.020904 -0.030511 0.032662 0.028588 0.062734 0.005373 3C 1f-1 0.007520 -0.032959 0.048388 0.020900 0.067981 0.015627 3C 1f+2 0.006892 0.016037 -0.073264 -0.049759 -0.082004 0.013217 3C 1f-2 -0.021394 0.034545 -0.050611 -0.040710 -0.081876 -0.021252 3C 1f+3 -0.023825 0.023133 -0.040156 0.000019 -0.041664 0.000675 3C 1f-3 -0.018129 0.018129 0.011160 -0.005523 -0.002384 0.004190 4C 1s -0.001298 0.002293 -0.005762 0.001231 -0.001605 -0.000368 4C 2s -0.006105 0.006915 -0.015982 0.004991 -0.004746 -0.001976 4C 3s 0.050103 -0.009412 0.076602 -0.058487 -0.137177 0.004321 4C 4s 0.060353 -0.366063 -0.200169 -0.093901 1.396494 0.158440 4C 5s 0.043670 1.392815 1.793836 1.026625 -1.359903 -0.468172 4C 1pz 0.107319 -0.025734 -0.217739 -0.162449 0.183876 0.182193 4C 1px -0.064542 -0.265487 -0.010745 0.101544 0.027639 -0.380397 4C 1py -0.013339 -0.175853 -0.087341 -0.092306 0.137940 -0.027116 4C 2pz -0.274916 0.198331 0.555224 0.437687 -0.247885 -0.421217 4C 2px 0.584129 0.452264 0.064332 -0.279615 -0.149989 0.956783 4C 2py 0.178638 0.422306 0.258206 0.262511 -0.216816 0.091087 4C 3pz -0.526596 -0.803314 -1.225469 -0.412482 1.114917 0.578918 4C 3px 0.307150 -0.238993 -0.509339 0.125923 0.162671 -0.411323 4C 3py -0.397150 -0.779444 -0.845664 -0.387942 0.805227 0.215200 4C 1dz2 0.010299 -0.018423 -0.006917 0.004684 0.007382 -0.025046 4C 1dxz 0.027112 0.029216 -0.024268 0.003938 0.006715 0.059510 4C 1dyz 0.013128 -0.004745 -0.039484 -0.010790 0.011911 0.004366 4C 1dx2y2 -0.007323 0.021472 0.008067 0.035894 -0.016460 -0.004856 4C 1dxy -0.015011 0.019502 0.015919 -0.023450 0.000615 0.040238 4C 2dz2 0.348396 0.236041 -0.407697 0.164973 -0.092612 -0.135000 4C 2dxz -0.196511 -0.049849 0.180751 -0.155536 -0.173451 0.208869 4C 2dyz -0.252737 -0.241582 0.015835 -0.199888 0.106277 0.001722 4C 2dx2y2 -0.069801 -0.015749 0.214130 0.100025 0.106568 0.016851 4C 2dxy 0.160196 0.196355 0.042822 0.108647 -0.063845 0.182957 4C 1f0 -0.003254 0.000602 -0.004727 0.008719 0.002838 0.027104 4C 1f+1 0.005405 0.002425 -0.003812 0.019062 -0.032549 -0.043268 4C 1f-1 0.013701 -0.018249 -0.050642 -0.034914 0.032993 0.046651 4C 1f+2 0.015255 0.022146 0.005522 0.015064 -0.009853 0.010053 4C 1f-2 -0.001108 -0.028508 -0.026944 -0.003844 0.010289 -0.066481 4C 1f+3 -0.006783 -0.005838 -0.005296 -0.002624 -0.006138 0.000921 4C 1f-3 -0.021134 0.027038 -0.001042 0.003072 -0.010579 0.031876 5C 1s 0.002977 -0.002186 0.001101 -0.009130 -0.002644 0.002482 5C 2s 0.010535 -0.008190 0.001366 -0.030620 -0.007923 0.007945 5C 3s -0.026355 0.088134 -0.019487 0.198122 -0.160141 -0.059789 5C 4s -0.217188 -0.227479 0.377286 0.303351 1.766540 0.066351 5C 5s -0.289614 0.781914 -1.183537 -0.853121 -1.578746 -0.094264 5C 1pz -0.067506 0.068726 0.142542 0.093281 0.132060 -0.103906 5C 1px 0.117997 -0.272915 -0.047800 0.235254 0.209141 0.318044 5C 1py 0.012239 0.014183 -0.171234 -0.100900 -0.206545 0.053400 5C 2pz 0.198375 -0.007277 -0.212345 -0.153035 -0.309253 0.257484 5C 2px -0.415206 0.380472 -0.028641 -0.416864 0.076783 -0.954028 5C 2py -0.069038 -0.188758 0.313265 0.145315 0.360011 -0.097583 5C 3pz 0.302229 -0.088961 0.551560 0.853523 1.143795 -0.114419 5C 3px 0.442071 -0.377984 0.486030 0.582605 1.118099 0.343731 5C 3py -0.798296 0.282122 -0.926573 -1.106971 -1.843822 0.084729 5C 1dz2 0.003784 -0.024149 -0.002446 0.010426 0.022531 0.019555 5C 1dxz -0.043554 0.032947 -0.005637 0.027443 -0.009283 -0.023130 5C 1dyz -0.013680 0.022727 -0.001897 -0.009689 -0.021814 -0.027084 5C 1dx2y2 -0.006422 0.008767 -0.030491 -0.033877 -0.032438 -0.024670 5C 1dxy 0.017615 -0.027780 -0.043053 0.019869 0.022446 0.046493 5C 2dz2 -0.159117 -0.031766 -0.020646 0.275805 0.030935 0.106768 5C 2dxz -0.006273 0.015485 0.071824 -0.178119 -0.084943 -0.081478 5C 2dyz -0.007106 0.072657 -0.146692 -0.044792 -0.146456 -0.157902 5C 2dx2y2 -0.222604 0.052060 -0.195493 0.289180 0.232601 -0.234914 5C 2dxy 0.248095 0.074108 0.355553 -0.112464 -0.092546 0.238374 5C 1f0 0.014984 -0.002338 -0.036276 -0.023380 -0.019128 0.016886 5C 1f+1 -0.012354 0.006388 -0.003683 -0.023803 -0.023551 -0.021101 5C 1f-1 0.003138 -0.016507 -0.005004 -0.012267 -0.002953 0.034161 5C 1f+2 -0.014917 0.014033 -0.024814 -0.016929 -0.042963 0.027563 5C 1f-2 -0.021146 0.031801 -0.000826 -0.027023 -0.040936 -0.061233 5C 1f+3 0.013775 -0.000685 0.013357 -0.003474 -0.010761 0.020748 5C 1f-3 -0.025333 -0.009080 0.003390 0.019126 0.029650 0.044281 6C 1s 0.003219 0.002141 -0.001307 0.009930 -0.001637 -0.002604 6C 2s 0.011335 0.008065 -0.001989 0.033114 -0.004597 -0.008347 6C 3s -0.042980 -0.093703 0.027666 -0.198000 -0.177488 0.062005 6C 4s -0.151787 0.278443 -0.402630 -0.456706 1.704214 -0.066182 6C 5s -0.315135 -0.818682 1.197526 0.998022 -1.446893 0.114078 6C 1pz 0.065724 0.065314 0.144198 0.105037 -0.123501 -0.103354 6C 1px -0.105828 -0.279632 -0.053796 0.262602 -0.167928 0.319702 6C 1py -0.007421 0.020464 -0.175367 -0.119875 0.195444 0.052546 6C 2pz -0.199427 -0.000472 -0.210991 -0.182977 0.291013 0.251716 6C 2px 0.389180 0.391606 -0.032367 -0.384959 -0.139809 -0.954641 6C 2py 0.061452 -0.200190 0.322168 0.168916 -0.340393 -0.090104 6C 3pz -0.338224 -0.126234 0.551505 0.955868 -1.025034 -0.103114 6C 3px -0.439389 -0.407464 0.467333 0.724498 -1.018332 0.353880 6C 3py 0.850318 0.342445 -0.927647 -1.279985 1.686515 0.067257 6C 1dz2 0.004175 0.025018 0.002137 -0.013484 0.020673 -0.019583 6C 1dxz -0.042410 -0.033553 0.004359 -0.025190 -0.011410 0.023348 6C 1dyz -0.013898 -0.023015 0.002104 0.012132 -0.019469 0.027351 6C 1dx2y2 -0.006356 -0.009652 0.030425 0.037500 -0.027732 0.024607 6C 1dxy 0.016211 0.028172 0.044854 -0.025013 0.018591 -0.046828 6C 2dz2 -0.172666 0.031082 0.025758 -0.283053 -0.002941 -0.108869 6C 2dxz -0.002466 -0.014832 -0.069452 0.193533 -0.062511 0.079462 6C 2dyz -0.005029 -0.083089 0.148537 0.050287 -0.139395 0.159178 6C 2dx2y2 -0.210025 -0.056403 0.201671 -0.327358 0.191630 0.237356 6C 2dxy 0.232355 -0.071090 -0.361834 0.122458 -0.064349 -0.232837 6C 1f0 -0.014996 -0.001574 -0.036920 -0.024377 0.016834 0.016900 6C 1f+1 0.013191 0.007412 -0.003716 -0.026548 0.020182 -0.021033 6C 1f-1 -0.003739 -0.016418 -0.004002 -0.012251 0.001675 0.034088 6C 1f+2 0.016344 0.015628 -0.025310 -0.021493 0.040405 0.027169 6C 1f-2 0.018646 0.032914 0.001431 -0.033467 0.036007 -0.061898 6C 1f+3 -0.012848 -0.000448 0.013298 -0.004817 0.009869 0.020898 6C 1f-3 0.026846 -0.009482 0.003122 0.022366 -0.026637 0.044145 7C 1s -0.001378 -0.002275 0.005618 -0.000842 -0.001536 0.000459 7C 2s -0.006306 -0.006888 0.015479 -0.003776 -0.004693 0.002279 7C 3s 0.034365 0.017173 -0.074488 0.078974 -0.127829 -0.006295 7C 4s 0.162619 0.324779 0.208383 -0.126539 1.365407 -0.157508 7C 5s 0.002832 -1.406331 -1.783998 -0.824800 -1.469863 0.455168 7C 1pz -0.114491 -0.027820 -0.219860 -0.134459 -0.203126 0.181690 7C 1px 0.070729 -0.260844 -0.008729 0.103819 -0.008857 -0.380974 7C 1py 0.010998 -0.175336 -0.086597 -0.072366 -0.144912 -0.027297 7C 2pz 0.262751 0.204368 0.553102 0.403024 0.304537 -0.416415 7C 2px -0.583949 0.442496 0.074627 -0.304996 0.113847 0.953307 7C 2py -0.181059 0.423064 0.257968 0.230411 0.246983 0.091748 7C 3pz 0.423960 -0.784324 -1.212936 -0.246375 -1.131999 0.563879 7C 3px -0.294730 -0.237296 -0.489635 0.140575 -0.125554 -0.417805 7C 3py 0.352722 -0.769588 -0.832028 -0.271204 -0.825060 0.205364 7C 1dz2 0.010950 0.018430 0.005965 -0.005296 0.006613 0.025004 7C 1dxz 0.029077 -0.029064 0.025268 -0.005933 0.006737 -0.059805 7C 1dyz 0.013267 0.004995 0.039663 0.009795 0.013336 -0.004278 7C 1dx2y2 -0.007502 -0.021343 -0.009437 -0.032569 -0.020476 0.005127 7C 1dxy -0.014247 -0.018713 -0.015336 0.023521 0.004260 -0.040456 7C 2dz2 0.345840 -0.225439 0.409959 -0.146406 -0.097323 0.134852 7C 2dxz -0.183198 0.040610 -0.176465 0.179111 -0.155434 -0.207090 7C 2dyz -0.257223 0.234714 -0.015817 0.184261 0.126898 -0.001024 7C 2dx2y2 -0.039474 0.005447 -0.207201 -0.120663 0.084788 -0.018025 7C 2dxy 0.185839 -0.202755 -0.046846 -0.104253 -0.082025 -0.181713 7C 1f0 0.004853 0.000164 -0.005531 0.008818 -0.001809 0.026895 7C 1f+1 -0.001677 0.001659 -0.003196 0.013309 0.033747 -0.043476 7C 1f-1 -0.015140 -0.018828 -0.051147 -0.029757 -0.036939 0.046516 7C 1f+2 -0.014156 0.022936 0.004055 0.014732 0.011287 0.010344 7C 1f-2 0.002256 -0.028576 -0.026325 -0.002796 -0.010259 -0.066991 7C 1f+3 0.007730 -0.006205 -0.005328 -0.003108 0.005364 0.000965 7C 1f-3 0.020782 0.026556 -0.000732 0.001083 0.010334 0.031761 8C 1s 0.000711 -0.000454 -0.001961 0.000574 0.000583 -0.001009 8C 2s 0.002600 -0.005420 0.003662 0.009462 -0.010156 -0.002342 8C 3s -0.045862 0.090512 -0.023031 -0.099671 0.143161 0.003285 8C 4s 0.129979 -0.354949 0.099300 0.215300 -0.504534 0.085974 8C 5s 0.955572 1.164223 -2.150327 -2.959744 3.736622 -0.018556 8C 1pz -0.065712 -0.002785 -0.073856 -0.142206 0.113233 0.006178 8C 1px -0.051027 0.042195 0.141817 -0.077549 -0.031679 -0.054566 8C 1py -0.087213 0.011643 0.131479 -0.092898 -0.017745 -0.003474 8C 2pz 0.126819 0.139004 0.077477 0.214260 -0.039735 -0.115346 8C 2px 0.085817 -0.089732 -0.458406 0.149583 0.123804 0.218347 8C 2py 0.240492 -0.200706 0.011707 0.283117 -0.324908 0.111608 8C 3pz -0.202467 -0.134778 0.276863 0.342046 -0.472748 0.013980 8C 3px -0.142688 0.019333 0.279400 0.075755 -0.228179 -0.085092 8C 3py 0.191072 0.277945 -0.433537 -0.711448 0.841413 -0.034875 8C 1dz2 0.005014 0.001475 -0.000679 -0.003191 0.004265 0.016860 8C 1dxz -0.022433 -0.030510 0.009279 0.021699 -0.030933 -0.022392 8C 1dyz -0.007601 -0.004813 0.025571 0.019498 -0.026328 -0.019190 8C 1dx2y2 0.001115 0.009000 0.009844 -0.012655 0.016234 -0.023817 8C 1dxy 0.014254 -0.005204 -0.005854 -0.004410 0.007808 0.043257 8C 2dz2 -0.061088 -0.018403 -0.067747 0.000730 0.001832 -0.023188 8C 2dxz -0.053908 0.064775 0.196198 -0.209187 0.010965 0.128541 8C 2dyz 0.053838 0.060255 0.056267 0.079204 0.000619 0.052931 8C 2dx2y2 -0.138442 0.059344 0.094009 -0.186879 0.084143 -0.021786 8C 2dxy -0.058592 -0.014211 -0.108726 0.008438 -0.003407 -0.046957 8C 1f0 -0.002734 -0.034165 0.060748 0.078400 -0.100967 0.011287 8C 1f+1 -0.022068 -0.031689 0.029827 0.034564 -0.055288 0.005834 8C 1f-1 -0.009018 -0.034644 0.050139 0.026097 -0.064269 0.015879 8C 1f+2 -0.004423 0.017794 -0.075317 -0.055135 0.075045 0.012918 8C 1f-2 0.022511 0.037281 -0.052294 -0.050034 0.077111 -0.021733 8C 1f+3 0.025162 0.024599 -0.041428 -0.004167 0.041427 0.000524 8C 1f-3 0.019357 0.019301 0.011910 -0.008737 0.001967 0.003839 9C 1s 0.000841 -0.001103 0.002645 0.001502 -0.000126 -0.000024 9C 2s -0.002176 -0.011213 -0.003807 -0.000344 -0.012397 0.003161 9C 3s -0.004441 0.148575 0.028562 0.012198 0.150570 -0.020637 9C 4s 0.092846 -0.465064 -0.194679 -0.140568 -0.455566 0.046131 9C 5s -0.325317 2.431505 2.789993 0.871384 2.968181 -0.920149 9C 1pz 0.164000 -0.089967 0.188254 -0.004870 0.026043 -0.049185 9C 1px -0.107989 0.001329 -0.098324 -0.059661 -0.089897 0.087303 9C 1py -0.135603 0.122687 -0.015210 0.117242 0.071251 -0.006217 9C 2pz -0.254217 0.409637 -0.008406 0.210268 0.237812 0.060035 9C 2px 0.306453 -0.037622 0.345086 0.122239 0.333497 -0.355046 9C 2py 0.327691 -0.072694 0.286073 -0.075463 0.085012 -0.065989 9C 3pz 0.171139 -0.629086 -0.575853 -0.219184 -0.686549 0.144992 9C 3px 0.013413 -0.054551 -0.194897 -0.148582 -0.121251 0.188203 9C 3py -0.161601 -0.192301 -0.467017 -0.041118 -0.392730 0.149615 9C 1dz2 0.004150 -0.001335 0.015991 0.009903 0.009583 -0.028827 9C 1dxz -0.001832 -0.012105 -0.010386 -0.008266 -0.034142 0.045538 9C 1dyz 0.007548 0.006621 0.019692 0.007123 0.016487 -0.006992 9C 1dx2y2 -0.011066 0.032217 0.007116 -0.005470 0.013478 0.006650 9C 1dxy 0.015882 -0.013104 -0.001615 0.003389 -0.014281 0.029761 9C 2dz2 0.215503 -0.172887 0.101728 -0.114358 -0.060884 0.008104 9C 2dxz -0.074133 -0.054723 -0.113891 -0.112988 -0.059310 -0.048860 9C 2dyz 0.020903 -0.009933 -0.014790 0.004824 -0.031539 0.049568 9C 2dx2y2 0.218730 -0.148216 0.134930 -0.044921 -0.046961 0.061662 9C 2dxy -0.248657 0.183086 -0.162523 0.075141 0.037716 -0.013270 9C 1f0 -0.006765 -0.042572 -0.053695 -0.006358 -0.034261 0.007224 9C 1f+1 0.011398 -0.017429 0.016543 -0.014362 0.006122 -0.019223 9C 1f-1 0.008521 0.030807 0.041326 0.012035 0.026471 0.010771 9C 1f+2 0.025579 0.067295 0.078004 0.027390 0.072691 -0.011566 9C 1f-2 -0.040585 -0.036731 -0.078192 -0.017135 -0.060264 0.003965 9C 1f+3 0.026961 0.084070 0.110198 0.062854 0.122560 -0.038966 9C 1f-3 0.015682 -0.010661 0.018367 -0.000833 0.015151 -0.009889 10H 1s 0.048729 -0.232286 -0.236617 -0.119663 0.233748 0.043027 10H 2s -0.149700 0.464812 0.517345 0.255822 -0.368070 0.128605 10H 3s -0.006284 -0.053639 0.109445 0.073591 -0.029370 -0.135733 10H 1pz -0.018962 -0.053468 0.012661 -0.040309 0.052741 0.063614 10H 1px 0.109270 -0.043098 -0.140534 -0.075108 0.064709 -0.007308 10H 1py 0.165879 0.110835 -0.109795 0.076890 -0.012956 0.037135 11H 1s 0.059313 -0.045756 -0.135758 -0.008642 0.085570 0.029738 11H 2s -0.176084 0.108446 0.403186 0.087344 -0.350365 -0.204610 11H 3s -0.044967 0.125264 0.102132 0.029929 -0.172090 -0.024739 11H 1pz -0.096470 -0.023605 0.110118 0.051275 -0.064034 -0.055371 11H 1px 0.090328 0.020691 -0.049438 -0.016330 0.016705 -0.004792 11H 1py 0.158599 0.115448 -0.111349 0.095597 -0.002055 0.021473 12H 1s 0.043833 -0.048802 -0.092493 -0.113253 0.115332 0.048721 12H 2s -0.072104 0.253488 0.290755 0.319741 -0.425602 -0.279301 12H 3s 0.246467 0.336134 0.077175 0.043317 -0.199074 0.011921 12H 1pz -0.193960 -0.148456 0.105408 -0.086413 0.035552 -0.007134 12H 1px 0.069529 -0.015925 -0.054336 -0.061392 0.057275 0.001977 12H 1py -0.024635 0.056358 0.070791 0.087074 -0.100328 -0.075552 13H 1s 0.087657 -0.158029 0.186055 0.161902 0.350497 0.009160 13H 2s -0.100508 0.304065 -0.363831 -0.308566 -0.640770 -0.256911 13H 3s 0.011294 -0.091153 -0.098028 0.010420 -0.024072 0.051520 13H 1pz 0.065360 0.027248 0.029748 -0.122913 -0.095408 -0.060728 13H 1px 0.047137 0.004618 0.167113 -0.043530 0.065786 0.035887 13H 1py 0.039352 -0.009610 -0.033347 -0.095945 -0.049155 0.046811 14H 1s -0.068625 0.028957 0.062626 0.091941 0.089635 0.008323 14H 2s 0.103430 -0.007265 -0.214753 -0.292653 -0.313667 0.150599 14H 3s -0.004076 0.216127 -0.051506 -0.251346 -0.318783 -0.029571 14H 1pz 0.029439 -0.018085 -0.112920 -0.070304 -0.110104 0.027974 14H 1px 0.008627 0.015054 0.045539 -0.022945 0.038728 0.046058 14H 1py 0.094861 0.015159 0.078156 -0.164619 -0.093259 -0.005888 15H 1s -0.002352 -0.029327 0.100274 -0.002565 0.062682 0.003475 15H 2s 0.013965 0.056328 -0.350772 -0.097355 -0.324637 0.058988 15H 3s -0.069920 0.063367 -0.100032 -0.213903 -0.274989 0.009933 15H 1pz 0.083303 -0.004743 0.022116 -0.088921 -0.033151 -0.017705 15H 1px 0.071807 0.022852 0.116260 -0.082438 0.037094 0.000700 15H 1py -0.018747 0.016304 0.110163 -0.004484 0.046733 -0.015288 16H 1s -0.022502 0.084697 -0.043894 0.094667 -0.056966 0.012981 16H 2s 0.076442 -0.302349 0.158435 -0.346527 0.171582 -0.003762 16H 3s 0.028069 0.049751 -0.093600 0.149623 0.025050 0.010931 16H 1pz 0.063096 -0.049449 0.065165 -0.148854 0.017010 0.004460 16H 1px -0.054262 0.108902 0.060240 -0.012388 -0.143339 -0.014332 16H 1py -0.006165 0.007773 0.051748 -0.051125 -0.032390 0.004868 17H 1s 0.050580 0.116699 0.000253 0.095384 -0.083838 -0.015845 17H 2s -0.148036 -0.403251 -0.021704 -0.309828 0.276453 0.016755 17H 3s 0.040940 0.165839 0.023808 0.086267 -0.139110 -0.023182 17H 1pz 0.018272 0.050897 0.015431 0.019870 -0.056676 -0.007038 17H 1px 0.092355 0.047304 0.014489 0.143648 -0.027838 -0.001003 17H 1py -0.038158 -0.098990 -0.048914 0.002761 0.083010 0.009536 18H 1s 0.049695 -0.119030 0.004515 -0.086474 -0.099343 0.014043 18H 2s -0.141203 0.412658 0.003957 0.281929 0.326924 -0.010921 18H 3s 0.030484 -0.175584 -0.016524 -0.073370 -0.155797 0.021358 18H 1pz -0.007075 0.061213 0.009956 0.020410 0.061737 -0.005418 18H 1px -0.103742 0.044370 0.008214 0.140654 0.052562 0.000715 18H 1py 0.020198 -0.107734 -0.044388 0.009499 -0.082761 0.008769 19H 1s -0.022685 -0.080201 0.041650 -0.080071 -0.071743 -0.012429 19H 2s 0.078263 0.285669 -0.150246 0.299689 0.221718 0.001968 19H 3s 0.025226 -0.036661 0.088406 -0.136330 -0.000187 -0.009890 19H 1pz -0.062813 -0.040041 0.060308 -0.135381 -0.037735 0.005528 19H 1px 0.056106 0.119746 0.059586 -0.023647 0.141320 -0.015316 19H 1py 0.001441 0.017746 0.050445 -0.045322 0.024152 0.005920 20H 1s 0.000840 0.031118 -0.107053 0.002295 0.063941 -0.003531 20H 2s 0.004700 -0.064752 0.363648 0.114661 -0.312538 -0.060108 20H 3s -0.074822 -0.069224 0.098141 0.244532 -0.244518 -0.008562 20H 1pz -0.087156 -0.004022 0.025488 -0.095695 0.022023 -0.018501 20H 1px -0.074085 0.019813 0.116208 -0.074846 -0.050714 0.000922 20H 1py 0.020593 0.014542 0.112463 -0.002476 -0.049235 -0.015779 21H 1s -0.068927 -0.027805 -0.066511 -0.093860 0.079440 -0.008540 21H 2s 0.087749 -0.000775 0.227695 0.308788 -0.277177 -0.147729 21H 3s -0.005933 -0.223143 0.047597 0.290343 -0.278330 0.032297 21H 1pz -0.027836 -0.014738 -0.113785 -0.083590 0.103538 0.027702 21H 1px -0.005912 0.013696 0.043395 -0.012876 -0.044544 0.045545 21H 1py -0.094727 0.015541 0.082269 -0.177721 0.069744 -0.006704 22H 1s 0.095678 0.168829 -0.184987 -0.202044 0.324517 -0.011909 22H 2s -0.106202 -0.321239 0.364665 0.378696 -0.593666 0.261950 22H 3s 0.008146 0.087013 0.101749 -0.018150 -0.029914 -0.050945 22H 1pz -0.066953 0.027655 0.031785 -0.134644 0.078116 -0.061239 22H 1px -0.046736 0.000452 0.168347 -0.034417 -0.075176 0.036174 22H 1py -0.039175 -0.007804 -0.032651 -0.101642 0.038103 0.047062 23H 1s 0.049838 0.050035 0.091912 0.094624 0.128956 -0.048564 23H 2s -0.090124 -0.254634 -0.297398 -0.255188 -0.459281 0.277452 23H 3s 0.240813 -0.326901 -0.077287 -0.012494 -0.193304 -0.011847 23H 1pz 0.193869 -0.144296 0.106484 -0.079126 -0.041316 -0.006802 23H 1px -0.062491 -0.021594 -0.050919 -0.057260 -0.066286 0.002696 23H 1py 0.022147 0.057401 0.071822 0.073370 0.108690 -0.075221 24H 1s 0.057819 0.046113 0.139156 -0.004726 0.087280 -0.029842 24H 2s -0.195269 -0.108139 -0.405406 -0.034233 -0.357896 0.207573 24H 3s -0.063330 -0.121552 -0.099354 -0.003386 -0.166397 0.022364 24H 1pz 0.095986 -0.020329 0.109198 0.043093 0.071966 -0.056316 24H 1px -0.083077 0.014866 -0.046183 -0.017365 -0.020092 -0.006446 24H 1py -0.168762 0.113316 -0.112261 0.094539 0.011322 0.020977 25H 1s 0.060925 0.232851 0.233459 0.089416 0.242417 -0.041546 25H 2s -0.155767 -0.469594 -0.510064 -0.209413 -0.395155 -0.132561 25H 3s -0.004519 0.051048 -0.109703 -0.066709 -0.041289 0.135000 25H 1pz 0.021186 -0.053285 0.013082 -0.031959 -0.054253 0.064066 25H 1px -0.102372 -0.049067 -0.136998 -0.069136 -0.075813 -0.007960 25H 1py -0.168664 0.105448 -0.110843 0.073905 0.017960 0.037041 26O 1s 0.001099 0.002194 -0.001007 -0.001244 -0.001477 0.000565 26O 2s 0.002360 0.004540 -0.004589 -0.003778 -0.004767 -0.002276 26O 3s 0.006272 0.017819 0.055213 0.014089 0.025687 0.080129 26O 4s -0.034350 -0.266654 -0.242486 0.022733 0.042662 -0.443897 26O 5s -0.154932 0.284163 -0.096541 0.002339 -0.476454 -0.049570 26O 1pz 0.063868 -0.024711 -0.045100 0.009003 0.067844 0.036952 26O 1px 0.013613 -0.061503 -0.007382 0.022538 0.013372 -0.055894 26O 1py -0.038761 -0.112007 0.000868 0.004338 0.086568 -0.000351 26O 2pz -0.045698 0.065322 0.050074 0.008603 -0.055368 0.040660 26O 2px 0.026368 0.177544 0.126371 -0.028546 -0.034486 0.254530 26O 2py 0.021310 0.139536 0.099429 -0.035719 -0.077130 0.123342 26O 3pz 0.390250 -0.016016 -0.228742 0.003790 0.125655 -0.164138 26O 3px 0.182245 -0.173972 0.018053 -0.056184 0.343228 0.098712 26O 3py 0.184317 -0.106138 -0.157985 0.039562 0.264176 -0.084372 26O 1dz2 0.000641 -0.009408 0.000674 -0.004085 0.005555 -0.006337 26O 1dxz -0.003876 -0.000074 0.007198 -0.002482 0.001287 0.007602 26O 1dyz 0.005158 0.002103 -0.004738 0.001326 0.003769 0.002269 26O 1dx2y2 -0.002638 0.002746 0.004635 -0.003552 -0.001835 0.004247 26O 1dxy -0.000113 0.005984 0.004342 -0.000747 -0.000101 0.010499 26O 2dz2 -0.063973 -0.250683 0.098468 -0.120738 0.100714 -0.053455 26O 2dxz -0.242556 -0.022039 0.123928 -0.074206 -0.087472 0.037689 26O 2dyz 0.052150 0.107344 -0.095543 0.040531 -0.031675 0.058542 26O 2dx2y2 -0.120120 0.048949 0.102264 -0.079873 -0.031850 0.080228 26O 2dxy -0.058059 0.193596 0.004849 -0.025020 -0.089557 0.128556 26O 1f0 -0.003320 -0.001392 0.001176 0.003228 -0.001793 -0.007032 26O 1f+1 -0.006931 -0.008587 -0.001335 -0.001340 0.002275 -0.006381 26O 1f-1 -0.003488 -0.000364 0.000140 0.000519 -0.003820 0.001454 26O 1f+2 0.002881 -0.001322 -0.006159 0.001503 0.005288 0.001353 26O 1f-2 0.006751 0.011521 -0.002558 0.002308 -0.002117 0.011789 26O 1f+3 -0.001771 -0.004414 -0.002363 -0.004942 0.004058 0.000170 26O 1f-3 -0.000077 -0.009194 -0.004215 0.004758 0.000594 -0.016643 27O 1s -0.000122 0.002425 0.002102 -0.000979 -0.001171 -0.000164 27O 2s 0.000489 0.005188 0.006875 -0.001344 -0.002417 0.003807 27O 3s -0.027397 0.015965 -0.043179 -0.020024 -0.001855 -0.092259 27O 4s 0.179649 -0.273743 0.084766 0.187029 0.171252 0.473449 27O 5s 0.044597 0.318396 0.176105 -0.504684 -1.412328 0.159380 27O 1pz 0.003234 -0.035202 0.028557 0.055248 0.076913 -0.034027 27O 1px 0.019891 -0.083687 -0.012997 0.083345 0.099620 0.029023 27O 1py -0.046731 0.027907 -0.043473 -0.009703 -0.063168 0.028675 27O 2pz -0.030004 0.050729 -0.048393 -0.016921 -0.075672 0.011872 27O 2px -0.183706 0.186441 -0.068835 -0.143412 -0.072551 -0.277214 27O 2py 0.080169 -0.047789 0.039518 0.063353 0.066161 0.067286 27O 3pz 0.042218 -0.092089 0.145834 -0.045360 0.052316 0.109489 27O 3px 0.041461 -0.183436 0.037344 0.335433 1.076033 -0.085057 27O 3py -0.061762 -0.040557 -0.378314 -0.223655 -0.384079 -0.132817 27O 1dz2 0.005960 -0.006846 0.002476 -0.003022 0.002627 0.006472 27O 1dxz 0.005749 -0.002505 0.001260 -0.002293 0.002086 -0.003406 27O 1dyz -0.004902 0.000178 -0.006224 0.000833 -0.004299 -0.001536 27O 1dx2y2 -0.002511 0.003619 -0.001634 -0.012273 -0.008172 -0.008062 27O 1dxy -0.002618 -0.002045 0.004207 0.003538 0.001836 0.009542 27O 2dz2 0.109333 -0.168247 0.038752 -0.048831 0.141796 0.077547 27O 2dxz 0.065987 -0.025849 0.073380 -0.092734 -0.011258 0.006364 27O 2dyz -0.055329 -0.043833 -0.137304 0.065410 0.007604 0.040723 27O 2dx2y2 0.044135 0.140208 0.066500 -0.334686 -0.323620 -0.065649 27O 2dxy -0.049936 -0.057583 0.098666 0.153945 0.198707 0.064116 27O 1f0 0.003327 -0.001897 -0.001844 0.000733 0.002708 0.003470 27O 1f+1 0.008017 -0.005908 0.000729 0.005332 0.002085 0.012290 27O 1f-1 0.000024 0.002743 0.002918 -0.006173 -0.001696 -0.003444 27O 1f+2 0.000144 -0.000604 0.000083 0.007564 0.006071 0.003139 27O 1f-2 0.006165 -0.007414 0.002120 0.002487 0.006868 0.005757 27O 1f+3 0.000425 -0.005242 0.002472 0.008025 0.003132 0.005592 27O 1f-3 -0.002373 0.009752 0.005977 -0.007789 -0.005104 -0.012429 28O 1s -0.003254 -0.004475 0.004012 0.003620 -0.003522 -0.001160 28O 2s -0.008288 -0.011773 0.009983 0.008875 -0.009452 0.001241 28O 3s 0.015576 0.027167 -0.008010 0.002699 0.027299 -0.086869 28O 4s 0.070451 0.141057 -0.232870 -0.322898 0.132805 0.526642 28O 5s 0.358421 -0.047566 0.416454 0.195235 -0.960792 -0.204183 28O 1pz -0.074081 -0.002725 0.058539 -0.034892 0.031716 -0.002252 28O 1px -0.043347 -0.056553 0.061822 0.036645 -0.031373 -0.078548 28O 1py 0.016445 0.036973 0.035586 0.024126 -0.004138 -0.023404 28O 2pz -0.010023 -0.042008 0.005029 0.112283 0.017138 -0.197041 28O 2px 0.087501 0.093673 -0.094995 -0.158523 0.013995 0.247500 28O 2py -0.010784 -0.028936 -0.053568 0.029506 0.030075 -0.035312 28O 3pz -0.359364 -0.191441 0.346219 0.049237 0.460348 0.177978 28O 3px -0.053960 -0.140785 0.338877 -0.023334 -0.471780 0.011862 28O 3py 0.133225 0.190742 0.203974 0.137633 -0.113523 0.124833 28O 1dz2 0.000529 -0.004827 -0.001024 0.004696 -0.004295 -0.006654 28O 1dxz -0.001038 0.000453 0.002280 -0.003271 0.000217 0.013801 28O 1dyz -0.009039 -0.005900 0.006155 -0.000156 -0.002045 -0.003225 28O 1dx2y2 -0.001899 -0.004556 0.001136 0.003344 0.001065 -0.004038 28O 1dxy 0.000624 0.001140 0.001643 0.000828 -0.002287 0.005719 28O 2dz2 0.178927 0.099382 -0.147071 0.149897 -0.085107 -0.067486 28O 2dxz -0.094958 0.010614 0.029297 -0.096400 0.168690 0.194438 28O 2dyz -0.179281 -0.150452 0.158925 -0.014408 -0.050102 -0.090969 28O 2dx2y2 -0.113243 -0.155141 0.106505 0.057035 -0.029877 -0.103644 28O 2dxy 0.118988 0.135708 0.005781 0.118195 -0.057952 0.026457 28O 1f0 0.001552 0.000947 -0.000989 -0.006175 0.003722 0.003752 28O 1f+1 0.004464 0.008553 -0.003840 -0.004208 0.003245 0.014308 28O 1f-1 0.000449 -0.001606 0.001195 0.005222 0.000088 -0.011916 28O 1f+2 -0.008693 -0.003524 0.007092 0.007529 -0.003941 -0.012661 28O 1f-2 0.002181 0.006698 0.001927 -0.002349 -0.000044 0.006600 28O 1f+3 -0.003087 -0.000560 0.004839 0.002127 -0.000657 -0.007079 28O 1f-3 0.001899 0.001558 0.000960 0.001678 -0.000782 0.002226 29O 1s 0.000750 0.013591 -0.000386 0.002195 -0.008779 0.001553 29O 2s 0.002689 0.043383 -0.001545 0.010071 -0.028628 0.004567 29O 3s -0.023146 -0.256337 0.017893 -0.133056 0.182873 -0.017508 29O 4s 0.050879 0.234015 -0.047371 0.411326 -0.276452 -0.012384 29O 5s 0.005072 0.563314 -0.031115 -0.090281 0.023405 0.044379 29O 1pz -0.021364 0.008798 -0.007541 0.004268 -0.002484 0.005219 29O 1px -0.010520 -0.053976 -0.005134 -0.028676 0.011056 0.013698 29O 1py 0.018345 0.050437 -0.013113 0.026611 -0.077692 0.000240 29O 2pz 0.113028 -0.005945 0.101857 -0.084594 -0.029561 -0.010348 29O 2px 0.061793 0.198592 0.019767 0.098479 -0.113076 -0.013938 29O 2py -0.043844 -0.135396 0.029698 -0.143127 0.143500 0.006537 29O 3pz -0.003336 0.061594 -0.033308 0.005938 0.030971 0.027040 29O 3px -0.036999 -0.398926 -0.012632 0.005689 0.117498 -0.010216 29O 3py 0.021992 -0.106158 0.000405 -0.062140 0.062205 -0.011407 29O 1dz2 0.000935 -0.002074 0.000017 -0.001025 0.001841 0.000278 29O 1dxz -0.002143 -0.002971 -0.001491 -0.001025 0.003637 -0.000469 29O 1dyz 0.001392 -0.000476 0.001515 -0.002982 -0.000880 0.000936 29O 1dx2y2 0.000065 0.006079 -0.001568 0.002252 -0.005983 0.000861 29O 1dxy 0.001108 0.003878 0.001476 0.003575 -0.001875 0.000041 29O 2dz2 0.036725 -0.033996 -0.013398 0.032478 0.035376 -0.005100 29O 2dxz -0.058961 0.055064 0.066023 -0.035532 -0.098122 -0.006783 29O 2dyz -0.048031 0.016857 0.006723 -0.047900 -0.033722 -0.005215 29O 2dx2y2 -0.003262 0.131672 -0.014631 -0.049346 -0.068217 0.001281 29O 2dxy -0.010223 0.080841 0.035075 0.033975 -0.062002 -0.009735 29O 1f0 0.000452 -0.009986 0.003453 -0.014309 0.006034 0.000138 29O 1f+1 0.002020 0.004629 0.000413 0.004801 -0.003599 -0.000427 29O 1f-1 0.003044 -0.008546 0.006662 -0.015554 0.005441 -0.000161 29O 1f+2 -0.001403 0.002166 -0.002015 0.005945 0.000939 -0.000083 29O 1f-2 -0.008780 -0.010430 -0.003822 -0.010247 0.007633 0.002068 29O 1f+3 0.002004 0.001534 0.002893 0.000037 0.000043 -0.000577 29O 1f-3 0.005419 0.004425 0.001267 0.001535 -0.004989 -0.000600 30O 1s 0.000579 -0.005576 -0.003942 0.003079 -0.004128 -0.000594 30O 2s 0.001553 -0.014769 -0.009738 0.008675 -0.011704 -0.005580 30O 3s -0.005988 0.036018 0.010156 -0.028255 0.033787 0.089113 30O 4s -0.020140 0.196603 0.236421 -0.043159 0.200240 -0.395987 30O 5s -0.473584 -0.388239 -0.766635 -0.305110 -1.073642 -0.105056 30O 1pz 0.007208 0.062904 0.024514 -0.026376 0.002360 -0.003087 30O 1px -0.011150 -0.039432 -0.075193 0.020372 -0.030890 0.043084 30O 1py 0.029386 -0.017693 0.066986 -0.025009 -0.034420 -0.005363 30O 2pz 0.088498 -0.105891 -0.000162 0.019390 0.031636 0.128691 30O 2px -0.058199 0.088971 0.097854 -0.031990 0.066384 -0.171639 30O 2py -0.108434 0.053513 -0.019153 -0.012271 -0.014639 -0.141147 30O 3pz 0.015767 0.202862 -0.009134 0.000376 -0.083939 -0.076988 30O 3px -0.180207 -0.126292 -0.493443 -0.145767 -0.477432 -0.172033 30O 3py 0.375900 -0.093641 0.174369 -0.463057 -0.074039 0.187708 30O 1dz2 -0.006970 0.002949 -0.000173 -0.000752 0.000594 0.001739 30O 1dxz -0.004070 0.005134 -0.001438 -0.002703 -0.004391 -0.007044 30O 1dyz 0.001449 0.005924 0.007054 -0.003551 0.000208 -0.007166 30O 1dx2y2 0.002960 0.001805 -0.002624 -0.002641 -0.000460 -0.002636 30O 1dxy 0.006150 -0.003063 0.002252 -0.003622 0.001785 0.010667 30O 2dz2 -0.121465 0.017729 -0.043297 0.102680 0.080996 -0.013067 30O 2dxz 0.047290 0.169532 0.087308 -0.118763 -0.080640 -0.074681 30O 2dyz -0.032089 0.116932 0.209003 -0.004560 0.071817 -0.112346 30O 2dx2y2 -0.036926 -0.020037 -0.156919 0.088891 -0.005980 -0.022304 30O 2dxy 0.154596 -0.098316 0.030943 -0.215430 -0.058323 0.101654 30O 1f0 -0.002429 0.004856 0.006754 -0.002602 -0.000123 -0.012955 30O 1f+1 0.002132 0.002081 -0.000125 -0.000423 -0.003151 -0.002386 30O 1f-1 -0.005637 0.006495 -0.001719 -0.000486 -0.002280 -0.005020 30O 1f+2 -0.003284 0.001245 -0.000189 -0.001888 -0.004002 -0.004433 30O 1f-2 0.004082 -0.009295 -0.007631 0.001682 -0.000976 0.012890 30O 1f+3 0.001148 0.003318 0.001229 -0.005235 -0.002499 -0.003851 30O 1f-3 0.002576 -0.003095 -0.004680 -0.002538 -0.005060 0.004572 31O 1s 0.000463 0.005453 0.004051 -0.002635 -0.004643 0.000601 31O 2s 0.001351 0.014450 0.010040 -0.007378 -0.013133 0.005578 31O 3s -0.007857 -0.035505 -0.011519 0.024208 0.038241 -0.088464 31O 4s 0.002811 -0.188510 -0.237213 0.026134 0.208721 0.391556 31O 5s -0.519063 0.340527 0.784837 0.387922 -1.040989 0.104423 31O 1pz -0.008119 0.062883 0.025868 -0.026907 -0.008013 -0.003862 31O 1px 0.013293 -0.036719 -0.076050 0.017572 0.036082 0.042895 31O 1py -0.026862 -0.018969 0.067055 -0.030127 0.030631 -0.005272 31O 2pz -0.085271 -0.108396 -0.001405 0.024094 -0.024745 0.128485 31O 2px 0.051122 0.087106 0.097097 -0.023368 -0.073129 -0.169944 31O 2py 0.103402 0.056693 -0.017874 -0.014810 0.010506 -0.140466 31O 3pz -0.024147 0.201657 0.003851 -0.023070 0.070438 -0.083528 31O 3px 0.199543 -0.101885 -0.499144 -0.183150 0.460740 -0.171757 31O 3py -0.361930 -0.096093 0.166420 -0.462038 0.021298 0.192900 31O 1dz2 -0.007132 -0.003011 0.000204 0.000639 0.000743 -0.001762 31O 1dxz -0.003874 -0.005266 0.001306 0.003391 -0.003816 0.007085 31O 1dyz 0.001822 -0.005763 -0.007281 0.003723 0.000883 0.007194 31O 1dx2y2 0.003056 -0.001782 0.002580 0.002593 -0.000122 0.002629 31O 1dxy 0.005851 0.003212 -0.002161 0.003275 0.002091 -0.010696 31O 2dz2 -0.119501 -0.015938 0.043152 -0.110869 0.066640 0.011640 31O 2dxz 0.052605 -0.168681 -0.093758 0.133152 -0.057308 0.077277 31O 2dyz -0.019786 -0.113115 -0.214539 0.003596 0.077214 0.113603 31O 2dx2y2 -0.034149 0.014908 0.155421 -0.090359 -0.019446 0.022598 31O 2dxy 0.149814 0.099578 -0.029249 0.222076 -0.035358 -0.103334 31O 1f0 0.001975 0.004941 0.007026 -0.002765 -0.000527 -0.012958 31O 1f+1 -0.002166 0.002143 -0.000148 -0.000730 0.002964 -0.002416 31O 1f-1 0.005628 0.006643 -0.001699 -0.000766 0.001990 -0.005024 31O 1f+2 0.003336 0.001414 -0.000127 -0.002499 0.003612 -0.004456 31O 1f-2 -0.003790 -0.009216 -0.007671 0.001585 0.001598 0.012869 31O 1f+3 -0.001115 0.003250 0.001287 -0.005476 0.001683 -0.003858 31O 1f-3 -0.002353 -0.002982 -0.004634 -0.003263 0.004877 0.004546 32O 1s 0.000950 -0.013518 0.000476 -0.000976 -0.008936 -0.001600 32O 2s 0.003233 -0.043112 0.001881 -0.006051 -0.029641 -0.004723 32O 3s -0.023468 0.253926 -0.020983 0.105945 0.201212 0.018555 32O 4s 0.043999 -0.228990 0.054218 -0.366632 -0.341819 0.010751 32O 5s 0.002577 -0.560482 0.033476 0.088545 0.045039 -0.045362 32O 1pz 0.021619 0.006333 -0.005286 0.001245 0.001838 0.004355 32O 1px 0.012765 -0.055095 -0.004015 -0.027926 -0.016145 0.013197 32O 1py -0.015906 0.051249 -0.011895 0.013087 0.082557 0.000534 32O 2pz -0.110818 0.014233 0.089463 -0.065214 0.022984 -0.006872 32O 2px -0.056634 0.203964 0.012314 0.087987 0.129433 -0.011848 32O 2py 0.034507 -0.134511 0.033483 -0.120257 -0.166192 0.005458 32O 3pz 0.002774 0.052392 -0.031621 0.001369 -0.029137 0.026607 32O 3px 0.033582 -0.400664 -0.009819 0.022232 -0.113174 -0.010568 32O 3py -0.014013 -0.106164 0.000162 -0.054168 -0.069222 -0.011325 32O 1dz2 0.001018 0.001917 0.000145 0.000429 0.002008 -0.000310 32O 1dxz -0.001988 0.003141 0.001347 0.000627 0.003839 0.000510 32O 1dyz 0.001257 0.000130 -0.001374 0.002833 -0.000585 -0.000985 32O 1dx2y2 -0.000098 -0.005952 0.001595 -0.001276 -0.006167 -0.000866 32O 1dxy 0.000910 -0.003920 -0.001204 -0.003471 -0.002320 -0.000089 32O 2dz2 0.043416 0.040390 0.011983 -0.032349 0.029402 0.005179 32O 2dxz -0.062377 -0.066230 -0.065419 0.040228 -0.091974 0.007307 32O 2dyz -0.054281 -0.026162 -0.008376 0.047605 -0.026268 0.005945 32O 2dx2y2 -0.020683 -0.134061 0.014667 0.060016 -0.057261 -0.001531 32O 2dxy -0.010840 -0.085688 -0.036366 -0.024345 -0.069105 0.010330 32O 1f0 -0.000427 -0.009137 0.003231 -0.012244 -0.007753 0.000097 32O 1f+1 -0.002175 0.005374 0.000129 0.005151 0.004866 -0.000415 32O 1f-1 -0.003468 -0.008233 0.006483 -0.014183 -0.008280 -0.000063 32O 1f+2 0.001035 0.002288 -0.002133 0.006385 0.000471 -0.000142 32O 1f-2 0.008227 -0.010888 -0.002986 -0.009682 -0.009176 0.001787 32O 1f+3 -0.001548 0.001402 0.002513 0.000130 -0.000262 -0.000482 32O 1f-3 -0.005232 0.004763 0.001085 0.000952 0.005346 -0.000516 33O 1s -0.003279 0.004342 -0.004031 -0.003176 -0.004127 0.001168 33O 2s -0.008264 0.011422 -0.010046 -0.007675 -0.011012 -0.001204 33O 3s 0.013707 -0.026579 0.008628 -0.006697 0.028753 0.086330 33O 4s 0.090995 -0.138442 0.232343 0.306977 0.173161 -0.524333 33O 5s 0.259580 0.068342 -0.425820 -0.049656 -0.970968 0.205319 33O 1pz 0.069791 -0.000698 0.056678 -0.027984 -0.035163 -0.002123 33O 1px 0.045977 -0.054725 0.061642 0.032153 0.038036 -0.078674 33O 1py -0.018873 0.036588 0.037208 0.024275 0.007013 -0.023599 33O 2pz 0.010815 -0.040547 0.007431 0.112706 -0.001374 -0.196419 33O 2px -0.091354 0.089436 -0.094027 -0.158301 -0.036231 0.246626 33O 2py 0.012219 -0.027804 -0.053751 0.032700 -0.024857 -0.035458 33O 3pz 0.332434 -0.181514 0.328595 0.127982 -0.439234 0.183036 33O 3px 0.098286 -0.137064 0.342800 -0.087512 0.464611 0.010965 33O 3py -0.156031 0.189800 0.198191 0.128786 0.125748 0.126217 33O 1dz2 0.000099 0.004634 0.000952 -0.004088 -0.004971 0.006648 33O 1dxz -0.000910 -0.000561 -0.002076 0.002982 0.000623 -0.013845 33O 1dyz -0.008831 0.005684 -0.006090 0.000225 -0.002189 0.003238 33O 1dx2y2 -0.002458 0.004517 -0.001236 -0.003329 0.000534 0.004034 33O 1dxy 0.000876 -0.001221 -0.001543 -0.000656 -0.002331 -0.005752 33O 2dz2 0.168212 -0.094398 0.142233 -0.133840 -0.098733 0.067787 33O 2dxz -0.085064 -0.013222 -0.023846 0.065227 0.177599 -0.196544 33O 2dyz -0.191946 0.148538 -0.158543 0.021609 -0.049537 0.091161 33O 2dx2y2 -0.127604 0.151465 -0.109919 -0.051686 -0.041567 0.104089 33O 2dxy 0.131173 -0.135834 -0.003657 -0.114123 -0.069640 -0.027333 33O 1f0 -0.001817 0.000750 -0.000959 -0.005714 -0.004543 0.003803 33O 1f+1 -0.004580 0.008237 -0.003885 -0.003812 -0.003887 0.014268 33O 1f-1 -0.000327 -0.001563 0.001291 0.005072 0.000636 -0.011935 33O 1f+2 0.008584 -0.003156 0.006996 0.007091 0.004916 -0.012622 33O 1f-2 -0.002328 0.006548 0.001849 -0.002388 -0.000409 0.006663 33O 1f+3 0.003378 -0.000500 0.004959 0.002072 0.001005 -0.007065 33O 1f-3 -0.001823 0.001415 0.000916 0.001434 0.000900 0.002292 34O 1s 0.000191 -0.002402 -0.002042 0.000998 -0.000976 0.000166 34O 2s 0.001251 -0.005098 -0.006683 0.001295 -0.002078 -0.003812 34O 3s -0.026828 -0.016986 0.042109 0.021093 0.000603 0.092587 34O 4s 0.149388 0.282179 -0.084454 -0.200105 0.142248 -0.475616 34O 5s 0.052597 -0.349164 -0.181088 0.660868 -1.319236 -0.156443 34O 1pz -0.005038 -0.036074 0.027763 0.066585 -0.068467 -0.033485 34O 1px -0.017874 -0.087124 -0.015927 0.096832 -0.084954 0.029753 34O 1py 0.046779 0.030502 -0.043445 -0.018929 0.062801 0.028856 34O 2pz 0.032219 0.052899 -0.046438 -0.028622 0.071193 0.011182 34O 2px 0.167452 0.192947 -0.065807 -0.152511 0.050732 -0.278860 34O 2py -0.077891 -0.051943 0.037825 0.073687 -0.057641 0.068059 34O 3pz -0.041132 -0.093096 0.139685 -0.020765 -0.057954 0.109923 34O 3px -0.053013 -0.202951 0.023565 0.482541 -1.017429 -0.082135 34O 3py 0.072557 -0.032099 -0.368899 -0.293997 0.359547 -0.131287 34O 1dz2 0.005793 0.007016 -0.002512 0.002729 0.002780 -0.006483 34O 1dxz 0.005821 0.002688 -0.001363 0.002111 0.002324 0.003408 34O 1dyz -0.004985 -0.000516 0.006161 -0.000218 -0.004413 0.001559 34O 1dx2y2 -0.002460 -0.003967 0.001407 0.013436 -0.006459 0.008110 34O 1dxy -0.002831 0.002045 -0.004147 -0.003717 0.001309 -0.009542 34O 2dz2 0.106777 0.173527 -0.038685 0.030149 0.142310 -0.077528 34O 2dxz 0.069221 0.028872 -0.072860 0.097127 0.000080 -0.006389 34O 2dyz -0.061836 0.042033 0.135090 -0.060276 -0.003305 -0.041178 34O 2dx2y2 0.043961 -0.148084 -0.075899 0.382186 -0.272202 0.067109 34O 2dxy -0.056268 0.061417 -0.098133 -0.180348 0.179812 -0.062850 34O 1f0 -0.003131 -0.002002 -0.002072 0.001215 -0.002459 0.003496 34O 1f+1 -0.007503 -0.006047 0.000601 0.005665 -0.001264 0.012307 34O 1f-1 -0.000145 0.002772 0.003051 -0.006429 0.000837 -0.003480 34O 1f+2 -0.000127 -0.000829 0.000047 0.008219 -0.005008 0.003199 34O 1f-2 -0.005922 -0.007724 0.002004 0.003352 -0.006286 0.005818 34O 1f+3 0.000007 -0.005301 0.002412 0.008304 -0.001954 0.005596 34O 1f-3 0.001689 0.009770 0.006278 -0.008760 0.003755 -0.012497 35O 1s 0.001562 -0.002113 0.000935 0.001511 -0.001332 -0.000546 35O 2s 0.003599 -0.004334 0.004355 0.004630 -0.004303 0.002345 35O 3s 0.004472 -0.018664 -0.053790 -0.019022 0.023360 -0.080650 35O 4s -0.063750 0.267167 0.240082 -0.024594 0.042288 0.445177 35O 5s -0.160672 -0.248133 0.106763 0.074614 -0.438950 0.043064 35O 1pz -0.065028 -0.028087 -0.043465 0.017064 -0.066183 0.036783 35O 1px -0.013587 -0.060646 -0.006527 0.024388 -0.008102 -0.056133 35O 1py 0.038750 -0.110511 0.000911 0.015488 -0.081711 -0.000625 35O 2pz 0.044476 0.069172 0.048003 0.003724 0.055508 0.040968 35O 2px -0.041505 0.180913 0.125663 -0.030458 0.032051 0.254487 35O 2py -0.027202 0.140559 0.098446 -0.043454 0.070018 0.123730 35O 3pz -0.383346 -0.028382 -0.216923 0.014151 -0.117898 -0.165143 35O 3px -0.197039 -0.159316 0.028145 -0.006476 -0.327507 0.094469 35O 3py -0.206984 -0.102748 -0.156206 0.074490 -0.244977 -0.084496 35O 1dz2 0.000093 0.009635 -0.000772 0.003374 0.005854 0.006346 35O 1dxz -0.003849 0.000028 -0.007114 0.002186 0.001543 -0.007622 35O 1dyz 0.005549 -0.001839 0.004673 -0.001662 0.003546 -0.002268 35O 1dx2y2 -0.002911 -0.002625 -0.004578 0.003814 -0.001253 -0.004246 35O 1dxy -0.000090 -0.005909 -0.004377 0.000786 0.000074 -0.010496 35O 2dz2 -0.067790 0.249528 -0.102238 0.107350 0.106806 0.053994 35O 2dxz -0.236473 0.016637 -0.120765 0.084868 -0.076253 -0.037756 35O 2dyz 0.063082 -0.103773 0.095715 -0.033293 -0.035086 -0.058702 35O 2dx2y2 -0.123837 -0.045812 -0.099168 0.085057 -0.016986 -0.080927 35O 2dxy -0.066447 -0.188611 -0.006944 0.038367 -0.078889 -0.128421 35O 1f0 0.003360 -0.001274 0.001222 0.002920 0.002240 -0.007050 35O 1f+1 0.007175 -0.008471 -0.001288 -0.001082 -0.002270 -0.006382 35O 1f-1 0.003518 -0.000137 0.000059 0.000236 0.003831 0.001467 35O 1f+2 -0.003164 -0.001483 -0.006109 0.002112 -0.005053 0.001319 35O 1f-2 -0.007201 0.011336 -0.002770 0.002111 0.002092 0.011833 35O 1f+3 0.001777 -0.004445 -0.002522 -0.004327 -0.004612 0.000231 35O 1f-3 0.000509 -0.009188 -0.004195 0.004757 0.000047 -0.016649 408 409 410 411 412 413 2.23189 2.23372 2.24115 2.24157 2.25115 2.25304 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s -0.000055 -0.002044 0.003165 0.001350 -0.000904 -0.002263 0Rh 2s -0.000405 0.012917 -0.014721 -0.002518 0.006898 0.018333 0Rh 3s -0.000571 -0.004162 0.009671 0.006422 -0.001109 -0.002150 0Rh 4s 0.002136 -0.065295 0.074220 0.012228 -0.034597 -0.093471 0Rh 5s -0.007609 0.108359 -0.099022 0.010584 0.058226 0.180984 0Rh 6s 0.018499 -0.015035 -0.089768 -0.137171 -0.000556 -0.145472 0Rh 7s -0.039647 -0.262132 0.687103 0.700531 -0.180004 0.625763 0Rh 8s 0.172987 -0.803726 0.184756 -0.296077 -0.619811 -0.531372 0Rh 1pz 0.000409 0.002668 0.003292 0.002893 -0.002545 -0.001447 0Rh 1px 0.001095 -0.003244 0.002062 0.001721 0.017395 0.008390 0Rh 1py 0.003782 -0.000503 0.000427 -0.002771 0.003119 0.004970 0Rh 2pz -0.001493 -0.009360 -0.011767 -0.010298 0.009631 0.004943 0Rh 2px -0.003662 0.012595 -0.006976 -0.005851 -0.062905 -0.029245 0Rh 2py -0.013538 0.002072 -0.001807 0.010017 -0.011149 -0.017106 0Rh 3pz 0.002061 0.005510 0.011121 0.008774 -0.020043 -0.000081 0Rh 3px -0.001872 -0.032698 -0.002087 -0.000536 0.074033 0.012648 0Rh 3py 0.013098 -0.007558 0.007376 -0.011862 0.010584 0.002546 0Rh 4pz 0.001030 0.040357 0.033681 0.035154 0.014921 -0.033138 0Rh 4px 0.033938 0.048192 0.060161 0.041569 0.131987 0.144703 0Rh 4py 0.039249 0.016647 -0.017371 -0.018569 0.033248 0.105277 0Rh 5pz 0.008716 -0.069448 -0.041156 -0.063118 -0.018489 0.065223 0Rh 5px -0.073097 -0.095545 -0.138394 -0.073678 -0.269970 -0.241163 0Rh 5py -0.064410 -0.030299 0.034671 0.018304 -0.071008 -0.185470 0Rh 6pz -0.498590 -0.528472 -1.091653 -0.500928 0.109606 -0.639839 0Rh 6px 0.241182 0.626351 0.406311 -0.027317 0.284576 -0.191338 0Rh 6py -0.909981 0.188891 -0.505867 0.806513 0.973364 0.025229 0Rh 1dz2 -0.006368 0.003168 -0.014805 -0.007310 0.003439 -0.003629 0Rh 1dxz 0.009999 0.002384 0.015553 0.003987 0.006801 0.032529 0Rh 1dyz -0.013969 0.000021 0.007799 0.000475 -0.005586 0.006687 0Rh 1dx2y2 -0.005310 0.000319 0.010958 0.008126 0.001464 -0.006984 0Rh 1dxy 0.021115 -0.000139 0.011422 -0.029071 0.010050 0.001397 0Rh 2dz2 -0.001593 0.000815 0.000768 -0.000376 -0.001589 -0.001599 0Rh 2dxz -0.000242 -0.001259 -0.001501 -0.002000 -0.002181 -0.003239 0Rh 2dyz -0.006042 0.000528 0.000141 0.000213 -0.000796 -0.003422 0Rh 2dx2y2 -0.000905 -0.000275 -0.000384 0.000492 0.002602 0.002810 0Rh 2dxy -0.004515 0.000218 -0.000292 0.002924 0.001518 -0.001211 0Rh 3dz2 0.024379 -0.012150 0.036486 0.021350 -0.001868 0.016717 0Rh 3dxz -0.025674 -0.000946 -0.034547 -0.001748 -0.008092 -0.073110 0Rh 3dyz 0.064695 -0.002393 -0.021452 -0.002173 0.018575 -0.002575 0Rh 3dx2y2 0.018372 0.000498 -0.028266 -0.024253 -0.016102 0.006762 0Rh 3dxy -0.036268 -0.000646 -0.029515 0.064942 -0.033831 0.001708 0Rh 4dz2 -0.026522 0.011141 0.010849 -0.005914 -0.028486 -0.022138 0Rh 4dxz -0.004661 -0.017381 -0.029191 -0.030725 -0.040474 -0.050064 0Rh 4dyz -0.092711 0.006223 0.000841 0.001188 -0.011482 -0.052924 0Rh 4dx2y2 -0.014463 -0.005274 0.000650 0.010241 0.047823 0.036075 0Rh 4dxy -0.071847 0.003644 -0.002541 0.046994 0.020826 -0.018586 0Rh 5dz2 0.084235 -0.003415 -0.121772 0.003747 0.154063 0.085892 0Rh 5dxz 0.057504 0.100723 0.185861 0.142583 0.239686 0.369667 0Rh 5dyz 0.296210 0.027441 0.014007 0.034825 0.022583 0.231294 0Rh 5dx2y2 0.046287 0.004226 0.038653 -0.024460 -0.248378 -0.191109 0Rh 5dxy 0.372772 -0.015849 0.046888 -0.297187 -0.012350 0.053089 0Rh 1f0 0.028044 0.061245 0.207529 0.066857 -0.148483 -0.039561 0Rh 1f+1 0.018753 -0.079561 -0.020087 -0.002834 0.050160 0.104013 0Rh 1f-1 -0.039385 0.097370 -0.061146 -0.008953 0.017912 -0.047273 0Rh 1f+2 -0.050427 -0.039349 -0.129927 -0.017251 0.189554 0.068553 0Rh 1f-2 -0.033079 -0.090552 -0.086148 0.066461 0.067438 -0.096384 0Rh 1f+3 -0.057895 0.011223 -0.199399 -0.055129 0.195275 0.134294 0Rh 1f-3 0.099793 -0.095670 -0.007760 -0.177195 0.042809 0.085222 1Rh 1s 0.000221 0.002140 0.003031 0.001318 0.000836 -0.002341 1Rh 2s -0.002155 -0.013301 -0.013851 -0.002200 -0.004905 0.018885 1Rh 3s -0.000011 0.004490 0.009411 0.006429 0.001922 -0.002277 1Rh 4s 0.010978 0.067228 0.069823 0.010667 0.024336 -0.096214 1Rh 5s -0.022236 -0.110533 -0.091680 0.013030 -0.032530 0.185125 1Rh 6s 0.020211 0.010854 -0.090797 -0.135341 -0.042180 -0.142812 1Rh 7s -0.001874 0.291051 0.671945 0.680060 0.396776 0.594023 1Rh 8s 0.285779 0.804322 0.119035 -0.355504 0.505316 -0.609628 1Rh 1pz -0.000093 0.002701 -0.003199 -0.002360 -0.002603 0.001617 1Rh 1px -0.001411 -0.003403 -0.001988 -0.003742 0.015462 -0.010555 1Rh 1py -0.003633 -0.000138 -0.000352 0.002272 0.002594 -0.005080 1Rh 2pz 0.000410 -0.009479 0.011436 0.008341 0.009847 -0.005596 1Rh 2px 0.004919 0.013153 0.006668 0.013218 -0.056159 0.037083 1Rh 2py 0.013061 0.000770 0.001535 -0.008270 -0.009386 0.017543 1Rh 3pz -0.001936 0.005627 -0.010888 -0.005838 -0.020421 0.001675 1Rh 3px -0.001921 -0.033000 0.003279 -0.009360 0.070934 -0.022061 1Rh 3py -0.013784 -0.006371 -0.007044 0.010933 0.011238 -0.003929 1Rh 4pz 0.005802 0.040674 -0.032278 -0.033697 0.014844 0.031331 1Rh 4px -0.026875 0.045497 -0.062997 -0.052005 0.098898 -0.160399 1Rh 4py -0.033159 0.020756 0.017871 0.010238 0.018508 -0.102510 1Rh 5pz -0.020937 -0.069835 0.038091 0.059672 -0.019707 -0.063211 1Rh 5px 0.058796 -0.089829 0.144254 0.096369 -0.211339 0.273444 1Rh 5py 0.053069 -0.037485 -0.035486 -0.001222 -0.043027 0.180870 1Rh 6pz 0.428979 -0.537563 1.125160 0.464263 0.290191 0.596610 1Rh 6px -0.153982 0.622439 -0.439190 0.005200 0.291217 0.150894 1Rh 6py 0.933500 0.112399 0.477680 -0.921844 0.864014 -0.111024 1Rh 1dz2 -0.006477 -0.002727 -0.014344 -0.007183 -0.004446 -0.003245 1Rh 1dxz 0.010168 -0.002917 0.015953 0.004045 -0.002179 0.033298 1Rh 1dyz -0.013959 0.002101 0.007549 -0.000208 0.006470 0.005855 1Rh 1dx2y2 -0.004816 0.000430 0.010929 0.007760 -0.001794 -0.006563 1Rh 1dxy 0.021024 -0.001088 0.011881 -0.028128 -0.013007 0.003060 1Rh 2dz2 -0.001747 -0.000546 0.000737 -0.000573 0.001353 -0.001807 1Rh 2dxz -0.000043 0.001268 -0.001606 -0.002249 0.001426 -0.003396 1Rh 2dyz -0.006037 0.000212 0.000109 0.000191 0.000452 -0.003485 1Rh 2dx2y2 -0.000958 0.000341 -0.000359 0.000953 -0.002096 0.003082 1Rh 2dxy -0.004499 0.000236 -0.000233 0.003088 -0.001290 -0.000995 1Rh 3dz2 0.025346 0.009755 0.035395 0.021923 0.005635 0.016635 1Rh 3dxz -0.026987 0.002352 -0.035161 -0.000739 -0.000964 -0.074408 1Rh 3dyz 0.064648 -0.006633 -0.020638 -0.000255 -0.019394 -0.000053 1Rh 3dx2y2 0.017269 -0.002841 -0.028305 -0.025409 0.014732 0.004354 1Rh 3dxy -0.036085 0.001880 -0.031001 0.061658 0.040759 -0.003724 1Rh 4dz2 -0.028462 -0.006883 0.010184 -0.009409 0.024835 -0.025618 1Rh 4dxz -0.001964 0.017328 -0.030753 -0.035355 0.028722 -0.053626 1Rh 4dyz -0.092579 0.005161 0.000319 0.001216 0.005976 -0.053831 1Rh 4dx2y2 -0.015173 0.006691 0.001183 0.018425 -0.040093 0.041104 1Rh 4dxy -0.071722 0.003680 -0.001849 0.049582 -0.017002 -0.015725 1Rh 5dz2 0.086160 -0.012997 -0.115340 0.020603 -0.139381 0.102232 1Rh 5dxz 0.044996 -0.101957 0.195284 0.165837 -0.167281 0.394611 1Rh 5dyz 0.292606 -0.064085 0.016851 0.027512 0.005731 0.231132 1Rh 5dx2y2 0.053661 -0.008309 0.033422 -0.066039 0.208281 -0.215544 1Rh 5dxy 0.373140 -0.019411 0.047150 -0.303167 -0.018516 0.053165 1Rh 1f0 -0.021127 0.056355 -0.205641 -0.046894 -0.151975 0.057431 1Rh 1f+1 -0.022792 -0.074429 0.026547 -0.009713 0.040962 -0.111798 1Rh 1f-1 0.049901 0.096318 0.056481 0.009514 0.032480 0.044901 1Rh 1f+2 0.046904 -0.036776 0.131759 -0.006206 0.180114 -0.092493 1Rh 1f-2 0.021884 -0.086434 0.088773 -0.077643 0.072325 0.086545 1Rh 1f+3 0.060962 0.014506 0.196697 0.031092 0.190319 -0.159333 1Rh 1f-3 -0.111723 -0.087724 0.012697 0.169619 0.053195 -0.091228 2C 1s -0.001535 -0.002547 -0.001039 0.001888 0.000837 0.003439 2C 2s -0.017843 0.004374 -0.006167 -0.008721 -0.002758 0.002611 2C 3s 0.262414 -0.009058 0.068491 0.198456 0.066966 -0.001940 2C 4s -0.925573 0.019098 0.006148 -0.983472 -0.293055 -0.216770 2C 5s 3.750896 -2.877287 -0.547210 5.067838 2.059793 0.833124 2C 1pz -0.057560 0.135921 -0.001448 -0.067034 0.003731 -0.063299 2C 1px -0.012386 -0.098564 -0.064503 -0.032545 0.007567 -0.003412 2C 1py 0.015781 0.061188 0.074096 -0.055776 -0.080394 -0.068622 2C 2pz -0.414638 0.047486 0.046180 -0.612610 -0.162999 -0.292477 2C 2px -0.265108 0.344886 -0.119866 0.007813 -0.143908 -0.178184 2C 2py -0.418515 0.020546 -0.169058 -0.326519 0.069445 -0.175288 2C 3pz 0.715680 -0.583902 -0.192551 1.054494 0.434048 0.133541 2C 3px 0.306550 -0.208932 -0.077572 0.350493 0.009139 0.212782 2C 3py 0.532615 -0.466416 -0.008222 0.714646 0.225761 0.089385 2C 1dz2 0.015833 0.001905 0.023567 0.001424 -0.010841 0.020850 2C 1dxz -0.007247 -0.022901 0.003116 -0.013379 -0.013292 0.019166 2C 1dyz -0.001338 -0.022903 0.001395 0.016036 0.013491 0.020786 2C 1dx2y2 -0.007363 0.024447 -0.013375 0.009885 -0.002185 -0.026381 2C 1dxy -0.008447 -0.031177 -0.005564 -0.002358 0.024417 0.013271 2C 2dz2 -0.047398 -0.063059 0.040373 -0.164596 -0.013176 -0.074142 2C 2dxz -0.024925 0.260153 0.059746 0.057220 -0.014270 -0.139712 2C 2dyz -0.193238 -0.066410 -0.128034 -0.188681 -0.043113 -0.135293 2C 2dx2y2 -0.011284 -0.137757 -0.067688 0.029886 -0.016957 0.013721 2C 2dxy -0.090661 0.213697 -0.074349 0.021092 -0.034586 -0.079937 2C 1f0 0.020262 -0.006350 -0.017858 0.049299 -0.023210 -0.003249 2C 1f+1 -0.041772 0.014990 -0.042412 -0.020094 0.001679 -0.007902 2C 1f-1 -0.013170 0.014439 0.045427 -0.059523 -0.006288 0.003306 2C 1f+2 -0.041467 0.061772 0.029933 -0.091000 -0.019399 -0.022123 2C 1f-2 0.087363 -0.088171 0.021819 0.091057 0.018774 0.053561 2C 1f+3 -0.124202 0.112640 -0.004883 -0.143461 -0.060153 -0.078024 2C 1f-3 -0.055147 0.030023 -0.053928 -0.014046 -0.012616 -0.030074 3C 1s -0.000488 -0.003335 -0.001129 0.000686 0.002337 0.004133 3C 2s 0.016772 0.003516 -0.014917 -0.003517 0.002786 0.007318 3C 3s -0.283190 -0.056009 0.214907 0.036275 -0.002528 -0.043091 3C 4s 1.144828 0.379874 -0.690706 0.007079 -0.199203 -0.251862 3C 5s -4.935744 -3.305654 3.308071 -1.105085 0.208792 1.427722 3C 1pz 0.059236 0.179324 0.062787 0.034999 0.020323 -0.107499 3C 1px 0.000251 -0.053330 -0.061939 0.031804 -0.003150 -0.003258 3C 1py -0.067446 -0.085201 0.060941 0.055559 0.074153 0.044779 3C 2pz 0.250151 -0.103115 -0.354778 -0.060757 -0.239599 -0.028884 3C 2px 0.433622 0.321394 -0.060070 -0.318261 -0.190822 -0.255011 3C 2py -0.680875 -0.340057 0.314913 0.049581 0.124197 0.288246 3C 3pz -0.509162 -0.290345 0.414389 -0.107170 -0.037916 0.027864 3C 3px -0.536229 -0.396210 0.235786 0.032533 0.081344 0.212135 3C 3py 1.028709 0.692195 -0.682701 0.351383 -0.053095 -0.392173 3C 1dz2 0.002137 0.016944 -0.008200 -0.018510 -0.007448 0.017291 3C 1dxz -0.002800 -0.030968 -0.002843 0.032887 0.007830 -0.016037 3C 1dyz 0.020876 0.022190 0.004641 -0.006379 0.000327 -0.036969 3C 1dx2y2 0.009346 0.000094 -0.008565 -0.027742 -0.025045 -0.030098 3C 1dxy -0.013885 0.014795 -0.012975 -0.013290 -0.014234 0.022604 3C 2dz2 -0.088166 -0.090973 0.017006 0.071856 0.046538 0.009671 3C 2dxz 0.035385 0.199009 0.019096 -0.116581 -0.081146 0.084063 3C 2dyz -0.187563 0.085089 0.172059 0.055168 0.058745 0.103536 3C 2dx2y2 -0.087513 -0.076781 0.029806 -0.066294 0.010115 0.140991 3C 2dxy -0.145437 -0.188895 0.028190 0.153887 0.135010 0.071079 3C 1f0 -0.126220 -0.107288 0.054522 -0.011339 0.024242 0.064044 3C 1f+1 -0.018622 -0.021896 0.000551 -0.044613 0.000575 0.024160 3C 1f-1 -0.093795 -0.068579 0.073850 0.022770 0.029788 0.018658 3C 1f+2 0.146730 0.100855 -0.094092 -0.057931 -0.038056 -0.053350 3C 1f-2 0.062015 0.054975 -0.042545 0.012278 -0.020748 -0.023456 3C 1f+3 0.046402 0.008877 -0.040484 0.008346 -0.012251 -0.014486 3C 1f-3 -0.065083 -0.043174 0.050655 0.057050 0.018503 -0.003208 4C 1s 0.018858 -0.000884 0.000913 0.021052 0.000836 0.004446 4C 2s 0.061260 0.001518 0.002592 0.070057 0.002790 0.013290 4C 3s -0.568290 -0.089699 -0.174914 -0.614039 -0.247538 -0.118198 4C 4s 0.925996 -0.004349 0.684400 1.069762 1.534240 0.381036 4C 5s -2.799397 1.557620 0.418018 -2.857432 -0.147823 -0.343818 4C 1pz 0.149901 -0.225063 0.022364 0.122674 0.030320 0.128853 4C 1px -0.144340 0.082992 -0.151225 0.071292 0.131602 -0.111954 4C 1py 0.015326 -0.145781 -0.074924 0.098822 0.112136 0.043921 4C 2pz -0.684962 0.423388 0.190726 -0.893261 0.191450 -0.303921 4C 2px -0.171020 0.201140 -0.200919 0.042530 -0.458691 -0.095809 4C 2py -0.428022 0.388186 0.127764 -0.503187 -0.168938 -0.241290 4C 3pz 1.637352 -1.367697 -0.148758 2.657488 1.124313 0.622591 4C 3px -0.301473 -0.043411 -0.611143 0.341715 0.272412 -0.307256 4C 3py 0.838976 -0.900205 -0.437877 1.728941 0.937837 0.339279 4C 1dz2 -0.014083 -0.041613 -0.009147 0.014281 0.013954 0.007231 4C 1dxz 0.041175 -0.049605 0.062378 -0.019960 -0.007850 0.034840 4C 1dyz 0.009239 -0.026669 0.014282 0.029806 0.003634 0.034461 4C 1dx2y2 -0.001136 0.024267 -0.002829 0.030140 -0.012691 -0.017880 4C 1dxy 0.029946 -0.008413 0.031421 0.010645 0.004231 0.023729 4C 2dz2 0.239911 -0.244214 -0.002928 0.141689 -0.012674 0.238873 4C 2dxz 0.052501 0.383376 -0.217540 0.358276 -0.287166 0.034155 4C 2dyz 0.172500 0.025808 -0.108385 0.365295 0.120068 0.256302 4C 2dx2y2 -0.117840 0.225684 0.240974 -0.184482 0.143284 -0.234767 4C 2dxy 0.021322 0.221995 0.103185 0.157694 -0.025966 -0.071759 4C 1f0 0.017980 0.017854 0.011796 0.005775 -0.025108 0.001957 4C 1f+1 -0.017325 0.002125 -0.030138 0.020807 -0.014743 -0.019913 4C 1f-1 0.039742 -0.047099 -0.012534 0.028475 -0.002320 0.028440 4C 1f+2 0.011441 0.003862 0.053158 -0.033774 -0.011229 0.013355 4C 1f-2 -0.023715 -0.017350 -0.049323 0.024758 0.011190 -0.019558 4C 1f+3 0.003825 -0.024270 0.002326 -0.012003 0.013439 0.012489 4C 1f-3 0.013266 0.000519 0.008095 0.002991 -0.012893 0.011990 5C 1s -0.018906 -0.003459 0.019705 -0.000704 0.008321 0.006231 5C 2s -0.061938 -0.007618 0.064402 -0.003356 0.025980 0.019840 5C 3s 0.681793 0.072845 -0.591361 -0.149273 -0.142374 -0.016187 5C 4s -1.845838 -0.640698 0.829529 1.000777 -0.120887 -0.420830 5C 5s 3.024665 1.833260 -2.328947 0.827955 -0.901491 -0.851889 5C 1pz -0.161719 -0.213766 -0.016314 0.068544 -0.036682 0.100584 5C 1px 0.080675 0.098376 0.048607 -0.240852 0.090569 -0.049773 5C 1py 0.211833 0.263590 -0.038975 -0.067990 -0.017672 -0.102331 5C 2pz 0.490124 0.509270 -0.159483 0.132783 0.034858 -0.371817 5C 2px 0.283311 -0.101454 -0.369863 0.080897 -0.651082 -0.140118 5C 2py -0.819914 -0.659259 0.464503 -0.111707 0.212750 0.529105 5C 3pz -1.492392 -1.040554 0.823693 -0.314043 -0.009960 0.698961 5C 3px -0.317334 -0.259399 0.371473 -0.851051 -0.072565 0.115873 5C 3py 2.201075 1.427849 -1.440728 0.600536 0.115932 -0.903437 5C 1dz2 0.011859 -0.012632 -0.019870 -0.011856 -0.006063 -0.024790 5C 1dxz -0.024192 -0.047628 -0.005778 0.041450 0.001590 0.011927 5C 1dyz 0.004052 0.028465 -0.026934 -0.000751 -0.018349 -0.023539 5C 1dx2y2 -0.006788 0.015437 0.000566 -0.002857 -0.008909 0.010811 5C 1dxy 0.042308 0.036019 -0.007860 -0.071874 -0.019745 -0.022948 5C 2dz2 0.023709 -0.148894 -0.093855 -0.156449 0.055040 0.177738 5C 2dxz -0.147497 -0.144345 -0.023768 -0.059736 0.111013 0.242433 5C 2dyz 0.327621 0.218415 -0.103983 -0.116104 -0.178972 -0.176570 5C 2dx2y2 0.225655 0.191939 -0.121844 0.013561 -0.468566 -0.356023 5C 2dxy 0.118144 -0.100556 -0.117889 0.276095 0.103682 -0.315042 5C 1f0 0.036613 0.044937 0.002312 -0.014290 -0.005943 -0.012231 5C 1f+1 -0.006434 -0.004859 0.002147 0.002393 -0.007441 0.022920 5C 1f-1 0.015632 0.017771 0.018029 -0.001981 0.012338 -0.020356 5C 1f+2 0.043820 0.037191 -0.002586 0.011832 -0.002546 -0.041976 5C 1f-2 -0.018656 0.001432 0.003646 0.082146 0.001848 -0.010496 5C 1f+3 -0.000688 -0.012885 0.008400 -0.018326 0.016725 0.006243 5C 1f-3 0.002825 -0.013491 -0.012689 0.003743 -0.006198 -0.036022 6C 1s -0.018281 0.006984 0.019661 -0.000266 -0.006669 0.007285 6C 2s -0.060378 0.019187 0.064475 -0.002178 -0.020764 0.023129 6C 3s 0.665851 -0.183613 -0.587290 -0.145031 0.092610 -0.043758 6C 4s -1.749989 0.851768 0.774361 0.950174 0.231044 -0.378133 6C 5s 2.789928 -2.329794 -2.263134 0.669409 0.826682 -0.942335 6C 1pz 0.133897 -0.227511 0.027748 -0.068491 -0.052894 -0.095592 6C 1px -0.062876 0.100749 -0.056097 0.222931 0.116040 0.037368 6C 1py -0.177757 0.285061 0.025108 0.076782 0.001270 0.103440 6C 2pz -0.427553 0.578494 0.142505 -0.124370 0.063650 0.358004 6C 2px -0.303085 -0.047513 0.377509 0.000600 -0.600877 0.211025 6C 2py 0.740052 -0.782487 -0.441922 0.069712 0.147317 -0.536106 6C 3pz 1.360516 -1.257299 -0.757770 0.299680 -0.090203 -0.719381 6C 3px 0.281023 -0.321513 -0.356394 0.843068 0.012679 -0.126430 6C 3py -2.016573 1.763190 1.347280 -0.594274 0.201894 0.927972 6C 1dz2 0.013428 0.009902 -0.020153 -0.011066 0.000604 -0.025266 6C 1dxz -0.018563 0.048956 -0.009107 0.043473 0.004349 0.011935 6C 1dyz 0.000625 -0.029798 -0.025732 -0.003614 0.013794 -0.026205 6C 1dx2y2 -0.008730 -0.013998 0.001677 -0.005397 0.009637 0.009250 6C 1dxy 0.036525 -0.039761 -0.006011 -0.073188 0.007430 -0.025450 6C 2dz2 0.035007 0.144084 -0.100385 -0.137673 -0.051960 0.175168 6C 2dxz -0.128276 0.160736 -0.022775 -0.050552 -0.086766 0.247163 6C 2dyz 0.299424 -0.255249 -0.093667 -0.132447 0.130129 -0.198216 6C 2dx2y2 0.198597 -0.229030 -0.121183 -0.033745 0.411455 -0.401515 6C 2dxy 0.142402 0.064240 -0.130266 0.294640 -0.122556 -0.296835 6C 1f0 -0.030618 0.048165 -0.004615 0.016224 -0.003281 0.012861 6C 1f+1 0.005189 -0.005647 -0.002032 -0.001118 -0.010246 -0.021741 6C 1f-1 -0.013739 0.018632 -0.018599 0.001447 0.013881 0.018460 6C 1f+2 -0.039140 0.042313 0.001112 -0.010699 0.000616 0.041987 6C 1f-2 0.018093 0.001070 -0.002969 -0.080497 -0.006570 0.010233 6C 1f+3 -0.000936 -0.013696 -0.007786 0.016011 0.017845 -0.007862 6C 1f-3 -0.004712 -0.011423 0.013698 -0.004792 -0.002270 0.036353 7C 1s 0.018223 -0.001900 0.000676 0.021437 0.002468 0.003627 7C 2s 0.058669 -0.010625 0.002050 0.071161 0.008005 0.010623 7C 3s -0.538185 0.172701 -0.175723 -0.645636 0.149998 -0.124653 7C 4s 0.908975 -0.158261 0.692999 1.251660 -1.344306 0.541338 7C 5s -2.941990 -1.076296 0.474922 -2.952190 -0.219402 -0.280352 7C 1pz -0.177942 -0.197127 -0.013539 -0.133630 0.004787 -0.128954 7C 1px 0.156591 0.072233 0.142109 -0.085991 0.130523 0.095714 7C 1py -0.035379 -0.133372 0.076226 -0.116637 0.094884 -0.056688 7C 2pz 0.727390 0.296081 -0.202549 0.888523 0.324297 0.248517 7C 2px 0.184662 0.193835 0.203898 0.027099 -0.415715 0.136487 7C 2py 0.474563 0.310798 -0.129859 0.541466 -0.069797 0.239483 7C 3pz -1.779355 -1.032957 0.201700 -2.834170 0.722766 -0.711243 7C 3px 0.310168 -0.035033 0.603788 -0.376951 0.288518 0.262405 7C 3py -0.937743 -0.692768 0.459522 -1.876507 0.694483 -0.422701 7C 1dz2 -0.009361 0.042452 -0.011398 0.016792 -0.010944 0.009183 7C 1dxz 0.047046 0.047194 0.059382 -0.018917 0.009998 0.033314 7C 1dyz 0.011759 0.025211 0.012600 0.031354 0.004991 0.033765 7C 1dx2y2 -0.005648 -0.024752 -0.002508 0.028718 0.014049 -0.020785 7C 1dxy 0.031327 0.005952 0.030929 0.011168 0.001561 0.023199 7C 2dz2 0.250451 0.209879 -0.020505 0.159231 0.063928 0.218206 7C 2dxz 0.006832 -0.396400 -0.201079 0.308134 0.331656 -0.015423 7C 2dyz 0.166686 -0.064946 -0.100965 0.380621 -0.038731 0.250964 7C 2dx2y2 -0.135559 -0.188414 0.251509 -0.184320 -0.194546 -0.197659 7C 2dxy -0.009215 -0.231305 0.108462 0.146820 0.037372 -0.076240 7C 1f0 -0.014774 0.019180 -0.011818 -0.003051 -0.024834 0.002583 7C 1f+1 0.018491 0.001046 0.030411 -0.019878 -0.015265 0.022609 7C 1f-1 -0.045524 -0.039385 0.014088 -0.030097 -0.007818 -0.027106 7C 1f+2 -0.010615 0.001771 -0.052571 0.035476 -0.010104 -0.012128 7C 1f-2 0.022430 -0.016453 0.049799 -0.026396 0.010243 0.018333 7C 1f+3 -0.006900 -0.024134 -0.001465 0.009129 0.012327 -0.013779 7C 1f-3 -0.012459 0.001990 -0.007410 -0.001372 -0.014945 -0.009773 8C 1s -0.000037 0.003258 -0.001320 0.000868 -0.001636 0.004486 8C 2s 0.016337 -0.006229 -0.014833 -0.003754 -0.002398 0.007842 8C 3s -0.277066 0.100196 0.214261 0.039598 0.007186 -0.046253 8C 4s 1.102985 -0.551824 -0.683999 -0.016032 0.138019 -0.263388 8C 5s -4.516295 4.055594 3.129677 -0.995362 -0.078296 1.491782 8C 1pz -0.038486 0.180968 -0.071705 -0.032124 0.026587 0.104553 8C 1px -0.009769 -0.049012 0.065328 -0.029088 -0.000534 0.003156 8C 1py 0.053054 -0.095142 -0.055818 -0.061175 0.059829 -0.055474 8C 2pz -0.262406 -0.051573 0.365924 0.078190 -0.207619 0.054407 8C 2px -0.386513 0.368161 0.044832 0.332357 -0.121685 0.276434 8C 2py 0.643641 -0.432260 -0.305224 -0.069586 0.060651 -0.294210 8C 3pz 0.470672 -0.370049 -0.394924 0.098827 -0.033534 -0.031384 8C 3px 0.484848 -0.469777 -0.215311 -0.041841 0.045038 -0.226918 8C 3py -0.940420 0.849653 0.646211 -0.325611 -0.026748 0.406146 8C 1dz2 -0.000528 -0.016545 -0.006836 -0.019385 0.006988 0.015670 8C 1dxz 0.001636 0.029775 -0.004831 0.035713 -0.005782 -0.015630 8C 1dyz 0.018262 -0.024033 0.005699 -0.006292 -0.005644 -0.037249 8C 1dx2y2 0.009288 -0.001657 -0.008670 -0.028908 0.016733 -0.032813 8C 1dxy -0.015946 -0.012951 -0.012077 -0.016268 0.014298 0.020917 8C 2dz2 -0.075283 0.096975 0.013073 0.077499 -0.033446 0.015095 8C 2dxz 0.003682 -0.194360 0.029443 -0.130428 0.082871 0.074590 8C 2dyz -0.199177 -0.052062 0.179019 0.054114 -0.027260 0.111570 8C 2dx2y2 -0.083529 0.090057 0.028094 -0.063814 0.005935 0.137280 8C 2dxy -0.120424 0.203194 0.018740 0.171943 -0.104637 0.084189 8C 1f0 0.113560 -0.124793 -0.050247 0.006026 0.015867 -0.067067 8C 1f+1 0.013054 -0.021302 0.001868 0.044716 0.002932 -0.022811 8C 1f-1 0.083733 -0.081483 -0.070200 -0.027177 0.021947 -0.022023 8C 1f+2 -0.132327 0.120376 0.088349 0.063965 -0.020685 0.057743 8C 1f-2 -0.057556 0.066304 0.042107 -0.006930 -0.018594 0.027049 8C 1f+3 -0.046442 0.018373 0.041234 -0.007383 -0.010173 0.016861 8C 1f-3 0.057219 -0.050585 -0.046959 -0.060357 0.009823 0.001486 9C 1s -0.001281 0.002625 -0.001213 0.002067 -0.000133 0.003399 9C 2s -0.018369 -0.001951 -0.006245 -0.009237 0.002158 0.002230 9C 3s 0.261988 -0.029283 0.072767 0.208090 -0.042542 0.000995 9C 4s -0.913893 0.137229 -0.010061 -1.029934 0.141196 -0.209437 9C 5s 4.050885 2.141265 -0.635061 5.428661 -1.365001 0.981762 9C 1pz 0.069030 0.125953 -0.009212 0.073767 0.017088 0.059964 9C 1px -0.000440 -0.094101 0.069117 0.026645 0.019169 0.000989 9C 1py -0.005114 0.055195 -0.071631 0.065388 -0.063473 0.076510 9C 2pz 0.415067 -0.031844 -0.036156 0.631213 -0.039341 0.284747 9C 2px 0.303905 0.305846 0.106398 0.025192 -0.136634 0.192406 9C 2py 0.411295 -0.028692 0.165005 0.330931 0.129058 0.148504 9C 3pz -0.776049 -0.435624 0.204522 -1.122658 0.298209 -0.165889 9C 3px -0.325697 -0.148641 0.089797 -0.360564 -0.060131 -0.197782 9C 3py -0.584464 -0.365545 0.033408 -0.767189 0.131421 -0.109844 9C 1dz2 0.015292 -0.002505 0.022937 0.000696 0.013188 0.018182 9C 1dxz -0.004798 0.025132 0.001875 -0.014726 0.016424 0.017155 9C 1dyz 0.001534 0.022300 0.000643 0.018163 -0.008645 0.022383 9C 1dx2y2 -0.010195 -0.024283 -0.012001 0.009473 -0.000725 -0.026655 9C 1dxy -0.005414 0.030603 -0.007314 0.000940 -0.021099 0.015898 9C 2dz2 -0.040915 0.076392 0.032692 -0.162592 -0.017650 -0.065843 9C 2dxz -0.055051 -0.253401 0.071781 0.046132 0.003956 -0.137244 9C 2dyz -0.181908 0.087975 -0.131317 -0.192954 -0.002831 -0.131596 9C 2dx2y2 0.002828 0.134282 -0.076272 0.035011 0.022309 0.011213 9C 2dxy -0.110668 -0.197788 -0.063926 0.008653 0.025236 -0.084264 9C 1f0 -0.021074 -0.001914 0.018573 -0.048534 -0.027080 0.006695 9C 1f+1 0.042079 0.010879 0.042457 0.018537 0.005276 0.007169 9C 1f-1 0.015809 0.009500 -0.045132 0.062945 -0.000819 -0.002982 9C 1f+2 0.052501 0.053758 -0.031071 0.099856 -0.007229 0.025114 9C 1f-2 -0.094395 -0.072858 -0.018306 -0.093446 0.000667 -0.053019 9C 1f+3 0.133262 0.088259 -0.000385 0.152782 -0.033195 0.079167 9C 1f-3 0.063566 0.029021 0.052931 0.022210 -0.006806 0.034061 10H 1s 0.086775 -0.107424 -0.145537 0.280850 0.052222 -0.001128 10H 2s -0.183591 0.453752 0.351259 -0.614781 -0.075935 -0.142048 10H 3s -0.341611 0.193938 -0.027820 -0.252325 -0.095655 -0.172515 10H 1pz 0.016524 -0.004289 0.029036 -0.061021 0.043065 -0.000183 10H 1px -0.004178 -0.169076 -0.098127 0.036607 0.014437 0.033960 10H 1py 0.051142 -0.047609 0.051551 -0.028000 -0.039992 -0.018477 11H 1s 0.219830 -0.133967 0.121209 0.156057 -0.021011 0.105762 11H 2s -0.556947 0.443511 -0.305400 -0.446741 -0.136850 -0.298491 11H 3s -0.127122 0.130646 0.018593 -0.200060 -0.216829 0.097101 11H 1pz -0.047880 0.141306 -0.018923 -0.016715 -0.022364 -0.060090 11H 1px -0.084338 -0.038603 -0.101258 -0.049150 -0.028608 -0.066160 11H 1py 0.041098 -0.030510 0.034132 0.028673 -0.027861 -0.044017 12H 1s 0.197469 -0.195822 0.073901 0.147600 0.130479 0.162477 12H 2s -0.540808 0.367625 -0.246458 -0.401928 -0.219245 -0.391083 12H 3s -0.143435 0.013112 0.090753 -0.244279 -0.127918 0.107306 12H 1pz -0.027088 0.055276 -0.060263 0.039565 0.038889 -0.016484 12H 1px -0.096209 -0.091237 -0.125464 -0.037401 0.018395 -0.053944 12H 1py -0.050147 0.076964 -0.020411 -0.019603 -0.042715 -0.071433 13H 1s -0.194950 -0.151982 0.100166 -0.136232 0.009567 0.127414 13H 2s 0.420635 0.489211 -0.279146 0.176056 -0.142921 -0.157051 13H 3s 0.358000 0.281614 -0.181351 -0.079937 -0.058360 -0.081167 13H 1pz 0.006260 0.101862 0.020611 0.045258 0.029419 -0.025056 13H 1px -0.037871 -0.128507 -0.000598 0.011436 0.036385 -0.010262 13H 1py 0.028882 0.058981 0.062094 -0.009251 0.024974 -0.028728 14H 1s -0.273682 -0.235857 0.126201 0.135430 0.054476 0.064559 14H 2s 0.703307 0.505189 -0.358566 -0.316235 -0.190209 -0.350420 14H 3s 0.170069 0.050710 -0.210443 0.240154 0.044514 -0.041987 14H 1pz 0.042672 0.157272 0.059719 -0.027716 0.012872 -0.068491 14H 1px 0.093211 -0.028455 -0.090562 -0.069565 -0.069928 -0.072892 14H 1py 0.001014 0.021261 0.027444 0.104341 0.072511 -0.026041 15H 1s -0.223844 -0.098346 0.212003 0.133593 0.101121 0.023879 15H 2s 0.666441 0.381450 -0.451212 -0.336349 -0.149075 -0.147331 15H 3s 0.176669 0.146158 -0.120211 0.087038 0.097778 0.089302 15H 1pz -0.044471 0.055403 0.086736 0.041858 0.015578 -0.029402 15H 1px 0.041272 -0.043131 -0.043383 -0.027041 -0.019351 -0.024437 15H 1py -0.096502 -0.115089 0.023837 0.079946 0.031430 0.037585 16H 1s 0.026087 0.084473 -0.230355 0.046946 0.310483 0.109583 16H 2s -0.104449 -0.230435 0.767524 -0.143473 -0.969710 -0.351600 16H 3s -0.010392 0.075267 -0.427837 0.068089 0.363325 0.100279 16H 1pz -0.114278 -0.068824 0.228307 -0.104260 -0.235408 -0.037070 16H 1px 0.002538 0.105674 -0.031656 -0.020276 0.269927 0.223740 16H 1py -0.010763 0.007594 0.150958 -0.111165 -0.022989 0.053683 17H 1s -0.028860 0.087235 -0.068941 -0.141644 0.374330 0.320810 17H 2s 0.089214 -0.220729 0.218948 0.501157 -1.212430 -1.047619 17H 3s -0.086252 0.137622 -0.073615 -0.145424 0.524040 0.524129 17H 1pz -0.003519 0.033668 0.123344 -0.105377 0.108070 0.166805 17H 1px -0.016101 0.068264 -0.132950 -0.228635 0.377966 0.269726 17H 1py 0.054297 -0.021633 -0.089442 0.093281 -0.171477 -0.247242 18H 1s -0.040813 -0.081561 -0.059820 -0.099714 -0.349984 0.365666 18H 2s 0.119108 0.201132 0.194448 0.363335 1.138698 -1.193858 18H 3s -0.102097 -0.126797 -0.059314 -0.091976 -0.477546 0.591386 18H 1pz 0.007441 0.025768 -0.123670 0.097412 0.105625 -0.187633 18H 1px 0.029142 0.062728 0.125115 0.182256 0.371299 -0.316674 18H 1py -0.049736 -0.009541 0.092525 -0.074048 -0.147129 0.267172 19H 1s 0.007711 -0.098070 -0.218670 0.085310 -0.281999 0.141526 19H 2s -0.047879 0.277632 0.734115 -0.267505 0.879500 -0.448170 19H 3s -0.031206 -0.095693 -0.411313 0.118666 -0.331928 0.138667 19H 1pz 0.094952 -0.094142 -0.214570 0.133972 -0.205201 0.057294 19H 1px 0.007552 0.104929 0.022381 -0.002574 0.240798 -0.256889 19H 1py 0.005467 -0.006501 -0.152204 0.125287 -0.015757 -0.055007 20H 1s -0.208350 0.132778 0.207235 0.144092 -0.072784 0.035876 20H 2s 0.611265 -0.472954 -0.430750 -0.357729 0.073232 -0.168604 20H 3s 0.160652 -0.172409 -0.110268 0.087314 -0.071160 0.096833 20H 1pz 0.048983 0.044816 -0.088935 -0.040479 0.011920 0.025602 20H 1px -0.050496 -0.035179 0.046765 0.030861 -0.007048 0.026016 20H 1py 0.079287 -0.124824 -0.017112 -0.084691 0.016278 -0.041452 21H 1s -0.242589 0.268431 0.113955 0.150576 -0.025775 0.070113 21H 2s 0.639337 -0.595868 -0.334272 -0.349430 0.093519 -0.370299 21H 3s 0.166603 -0.088507 -0.208579 0.241325 -0.027972 -0.037371 21H 1pz -0.024042 0.156026 -0.067726 0.030977 0.018772 0.067057 21H 1px -0.097316 -0.013298 0.093554 0.075091 -0.045438 0.080139 21H 1py -0.002236 0.021310 -0.028190 -0.108184 0.062192 0.017201 22H 1s -0.177287 0.181847 0.094819 -0.132086 -0.008817 0.129949 22H 2s 0.359468 -0.549935 -0.258606 0.143609 0.137155 -0.174712 22H 3s 0.320937 -0.330420 -0.166999 -0.088000 0.032293 -0.088333 22H 1pz 0.003409 0.100069 -0.025979 -0.042201 0.026301 0.020927 22H 1px 0.018209 -0.131280 0.007542 -0.016808 0.038351 0.005599 22H 1py -0.023211 0.057580 -0.065410 0.009742 0.026247 0.025226 23H 1s 0.219317 0.164029 0.067893 0.166988 -0.087194 0.172413 23H 2s -0.583192 -0.291067 -0.236814 -0.438960 0.120026 -0.400379 23H 3s -0.144472 0.016148 0.082926 -0.260636 0.117079 0.095472 23H 1pz 0.029234 0.056488 0.052519 -0.040337 0.035611 0.011926 23H 1px 0.081834 -0.094803 0.128767 0.031369 0.035740 0.047298 23H 1py 0.062039 0.068465 0.020450 0.028170 -0.032921 0.075531 24H 1s 0.231843 0.108087 0.113864 0.159453 0.054523 0.097887 24H 2s -0.602223 -0.366520 -0.285594 -0.477793 0.041723 -0.304929 24H 3s -0.143837 -0.098865 0.021661 -0.233042 0.206577 0.068182 24H 1pz 0.063196 0.133169 0.011707 0.023373 -0.015471 0.061803 24H 1px 0.079926 -0.044007 0.104359 0.050365 -0.008364 0.067975 24H 1py -0.039516 -0.026261 -0.027113 -0.028005 -0.023541 0.047003 25H 1s 0.098259 0.077328 -0.148655 0.293872 -0.027271 0.001310 25H 2s -0.232144 -0.386551 0.370519 -0.643638 -0.008935 -0.138767 25H 3s -0.359174 -0.138354 -0.018685 -0.273510 0.038486 -0.170819 25H 1pz -0.020036 -0.002426 -0.032264 0.056718 0.051540 -0.007029 25H 1px -0.015566 -0.159823 0.106057 -0.044714 0.009259 -0.035364 25H 1py -0.052989 -0.045913 -0.045534 0.028510 -0.030625 0.022481 26O 1s -0.001289 0.000816 -0.003112 -0.000675 0.000229 -0.004768 26O 2s -0.004456 -0.000280 -0.010992 -0.000327 0.002635 -0.013731 26O 3s 0.025426 0.053281 0.083183 -0.030509 -0.043905 0.039959 26O 4s -0.014616 -0.355669 -0.209709 0.231552 0.259806 0.230104 26O 5s 0.231833 -0.187851 -0.058264 -0.802209 -0.773142 -0.265868 26O 1pz 0.000264 -0.008152 0.006608 -0.004316 0.018382 -0.055953 26O 1px -0.062305 0.050039 -0.039762 0.015651 0.048211 -0.011619 26O 1py -0.024284 0.027044 -0.027704 0.021037 0.001142 -0.063707 26O 2pz 0.044100 -0.002512 0.096354 0.002580 -0.009631 0.071501 26O 2px 0.055718 0.148706 0.150623 -0.005800 -0.085902 -0.061663 26O 2py 0.041870 0.042573 0.117203 -0.006554 0.004730 0.058982 26O 3pz -0.571818 -0.115947 -0.309452 -0.496034 0.080881 -0.529770 26O 3px -0.498412 0.046986 -0.404887 0.208512 0.432693 -0.096416 26O 3py -0.503081 0.141565 -0.335908 -0.312003 0.067806 -0.478080 26O 1dz2 -0.004891 -0.003989 -0.008181 -0.003098 0.004661 -0.001824 26O 1dxz 0.004065 0.005137 0.002557 -0.000544 -0.000127 0.002832 26O 1dyz 0.000063 0.001659 -0.001850 -0.002626 -0.001870 -0.003283 26O 1dx2y2 0.001637 -0.000170 0.002283 0.000006 -0.001714 0.000470 26O 1dxy 0.004561 0.001200 0.005679 0.001584 -0.004247 0.002340 26O 2dz2 -0.256900 0.038321 -0.172670 -0.054390 0.091718 -0.114279 26O 2dxz 0.084116 0.124866 -0.049544 0.134442 -0.028151 0.146899 26O 2dyz -0.067949 0.078100 -0.024872 -0.080872 -0.132930 -0.109439 26O 2dx2y2 0.139030 -0.036881 0.103987 -0.018545 -0.069034 0.020623 26O 2dxy 0.183562 -0.089161 0.096564 0.044159 -0.114587 0.125205 26O 1f0 -0.005327 0.004469 -0.005353 -0.000650 0.000625 -0.003447 26O 1f+1 -0.006756 -0.004462 -0.003945 -0.000219 0.003165 0.001383 26O 1f-1 0.000874 -0.001545 0.003185 -0.001502 0.000312 0.003327 26O 1f+2 0.003519 -0.003153 0.000737 0.003233 -0.000378 0.000761 26O 1f-2 0.006424 -0.003931 0.009740 -0.004042 -0.004407 0.004921 26O 1f+3 0.003074 -0.005399 0.000806 -0.000073 0.002180 0.003429 26O 1f-3 -0.006406 -0.004764 -0.006894 0.000436 0.004352 -0.002404 27O 1s 0.002030 0.000388 -0.001499 -0.003026 -0.005507 -0.001723 27O 2s 0.006099 -0.000851 -0.002959 -0.010208 -0.015195 -0.005635 27O 3s -0.021821 0.038031 -0.009403 0.068828 0.031303 0.012656 27O 4s -0.116012 -0.255304 0.111543 -0.088284 0.277030 0.129236 27O 5s 0.414850 0.258899 -0.095351 -0.209701 0.573044 0.218943 27O 1pz 0.008613 0.031309 0.024294 -0.044232 -0.011300 0.018234 27O 1px 0.039110 0.055541 -0.029099 -0.078099 0.013442 0.015904 27O 1py 0.011201 0.000837 0.021341 0.009892 0.011202 0.040253 27O 2pz -0.039905 -0.059329 0.003321 0.088977 0.014255 -0.022352 27O 2px -0.036369 0.024027 0.020241 0.183362 -0.202044 -0.118717 27O 2py 0.020093 0.017855 -0.056667 -0.113385 0.027905 0.010860 27O 3pz 0.478887 0.207653 -0.086124 -0.267268 -0.181129 -0.184559 27O 3px 0.180563 -0.137194 -0.266703 -0.307715 -0.598820 -0.291878 27O 3py -0.495033 -0.014453 0.451289 0.264471 0.323043 0.422336 27O 1dz2 0.001586 0.001775 0.000586 -0.003336 0.003780 -0.003019 27O 1dxz -0.003327 0.001021 -0.000654 0.001794 -0.001044 0.000711 27O 1dyz -0.001499 -0.001830 0.007176 0.003653 -0.000795 -0.002346 27O 1dx2y2 -0.003891 -0.000185 0.004754 0.008529 -0.000812 -0.001002 27O 1dxy 0.002841 -0.001283 -0.001158 -0.002156 0.003376 -0.004010 27O 2dz2 0.080789 0.046522 0.006985 -0.042014 0.012246 -0.107817 27O 2dxz -0.059894 -0.058463 -0.032181 0.027673 0.045381 0.076984 27O 2dyz -0.168182 -0.052118 0.129535 0.054240 0.042928 0.025089 27O 2dx2y2 -0.203217 -0.055983 0.180445 0.231235 0.125464 0.055461 27O 2dxy 0.060495 -0.065266 -0.074694 0.035061 -0.077640 -0.198192 27O 1f0 0.004532 0.005479 -0.003152 -0.005793 -0.000950 -0.000691 27O 1f+1 0.006310 0.002313 0.002175 -0.005732 0.006447 -0.000612 27O 1f-1 -0.001260 0.000618 -0.001454 0.003412 0.001770 0.001768 27O 1f+2 -0.002962 -0.004253 -0.002040 -0.002411 0.004218 0.006585 27O 1f-2 -0.001813 0.002401 0.000360 -0.006850 0.001036 0.001893 27O 1f+3 0.001049 -0.003221 -0.002047 -0.001777 0.003557 0.001024 27O 1f-3 -0.008495 -0.003995 0.001401 0.012304 0.001621 0.002446 28O 1s -0.001629 0.005396 0.000414 -0.002743 0.004342 -0.004291 28O 2s -0.003572 0.014980 0.001841 -0.006688 0.012519 -0.012517 28O 3s -0.002710 -0.050720 0.005622 -0.016300 -0.035076 0.045407 28O 4s 0.138679 -0.087968 -0.103112 0.377946 -0.124817 0.164606 28O 5s -0.323493 0.621209 -0.616201 -0.548142 -1.033239 -0.585020 28O 1pz 0.009898 0.026590 0.012967 -0.007934 -0.034924 -0.000635 28O 1px -0.012299 0.097934 -0.000684 0.001329 -0.010380 -0.072128 28O 1py -0.002314 -0.014833 0.037681 0.007704 0.009392 -0.006289 28O 2pz -0.088823 0.026045 0.049693 -0.061768 0.167255 -0.078580 28O 2px 0.028490 -0.083115 -0.107255 0.120577 -0.118786 0.070304 28O 2py -0.028995 0.028515 -0.027820 -0.012493 0.011368 -0.047334 28O 3pz 0.079048 -0.162946 0.541271 -0.483768 0.547057 -0.043917 28O 3px -0.087191 0.342767 -0.173711 -0.064390 -0.568171 -0.230792 28O 3py 0.016665 0.006168 0.347973 -0.255601 0.069949 -0.081469 28O 1dz2 -0.002622 0.002171 -0.001849 0.002468 0.000322 -0.003272 28O 1dxz 0.005207 -0.004845 0.005442 -0.004007 -0.004700 0.006873 28O 1dyz -0.002268 0.004036 -0.004007 -0.000259 0.000056 -0.000255 28O 1dx2y2 -0.002709 0.001237 -0.001851 0.000314 -0.000126 -0.002317 28O 1dxy 0.001237 0.000924 0.002272 -0.002587 -0.003371 0.003832 28O 2dz2 -0.032168 -0.068908 -0.098569 0.016653 -0.009901 0.001895 28O 2dxz 0.020145 -0.187071 0.205165 -0.236723 0.088311 0.107430 28O 2dyz -0.130392 0.050219 -0.119464 -0.049230 -0.009854 -0.037416 28O 2dx2y2 -0.033336 0.098636 -0.059155 0.048642 -0.056810 -0.113858 28O 2dxy -0.001915 -0.020964 0.148491 -0.144766 -0.017480 -0.034562 28O 1f0 -0.001677 -0.005267 -0.004071 -0.001313 -0.000515 0.002262 28O 1f+1 0.001845 -0.002972 0.002498 -0.002456 -0.003859 0.000853 28O 1f-1 -0.006907 0.004190 -0.002969 -0.002363 0.003850 -0.007088 28O 1f+2 -0.000548 0.008442 0.002340 0.000288 0.004067 -0.001613 28O 1f-2 0.002959 -0.000761 0.002630 -0.000704 0.000511 -0.002793 28O 1f+3 -0.001433 0.003424 0.000071 -0.003759 0.005282 -0.003695 28O 1f-3 -0.001758 -0.000094 0.000903 -0.003966 -0.002276 -0.000789 29O 1s -0.001479 -0.000538 -0.017549 -0.007496 0.023447 0.017378 29O 2s -0.003961 0.000811 -0.057995 -0.024943 0.081726 0.059712 29O 3s 0.003674 -0.062860 0.376343 0.162847 -0.636140 -0.445915 29O 4s 0.069753 0.310756 -0.511356 -0.224271 1.263354 0.817677 29O 5s -0.097109 -0.246280 -0.418835 -0.167699 0.129725 0.164929 29O 1pz 0.009352 0.016478 -0.091715 0.056393 0.037003 -0.059923 29O 1px 0.001792 -0.047782 0.001443 0.030581 -0.126685 -0.125782 29O 1py -0.054920 0.033945 -0.072293 0.019778 0.160741 0.102199 29O 2pz -0.117458 -0.023259 0.390788 -0.310818 -0.064162 0.252395 29O 2px -0.028143 0.075730 -0.051080 -0.183568 0.449599 0.439783 29O 2py 0.047865 -0.118476 0.186316 0.053933 -0.514200 -0.350029 29O 3pz 0.024380 -0.060415 -0.200108 0.034269 0.073175 0.006065 29O 3px 0.079618 0.056085 0.338217 0.150689 -0.412245 -0.382786 29O 3py -0.007437 0.017209 0.122119 0.071215 -0.184124 -0.073626 29O 1dz2 -0.002413 0.000213 0.004845 -0.002098 -0.003927 -0.002501 29O 1dxz 0.002047 0.001652 0.003030 0.005460 -0.008824 -0.007926 29O 1dyz -0.002887 0.000269 0.005312 -0.003276 -0.000333 0.003136 29O 1dx2y2 -0.000305 -0.000926 -0.008019 -0.000439 0.011671 0.008654 29O 1dxy 0.001694 0.000351 -0.000792 -0.006072 0.007560 0.008495 29O 2dz2 -0.027418 -0.005493 -0.096729 0.006189 0.028330 -0.021981 29O 2dxz -0.000687 0.083605 0.072704 -0.010135 0.115733 0.136875 29O 2dyz 0.015940 0.019569 0.095513 0.048399 -0.054758 -0.005509 29O 2dx2y2 -0.046800 -0.051781 0.013424 0.069355 0.009571 0.085719 29O 2dxy 0.003227 0.035501 -0.076776 -0.034894 0.175672 0.136919 29O 1f0 -0.004186 -0.010367 0.017728 0.003545 -0.038644 -0.022479 29O 1f+1 -0.000968 0.004534 -0.004417 -0.007439 0.018361 0.012819 29O 1f-1 -0.006159 -0.010070 0.026578 -0.007828 -0.038024 -0.014995 29O 1f+2 0.004475 0.003920 -0.009431 0.000810 0.009989 0.002132 29O 1f-2 0.003537 -0.007032 -0.003188 0.025122 -0.035786 -0.036983 29O 1f+3 -0.000661 0.001820 0.003468 -0.007721 0.005842 0.006939 29O 1f-3 -0.006160 0.003166 -0.000284 -0.008565 0.016405 0.015848 30O 1s 0.002667 0.003842 -0.000321 -0.002456 -0.001855 -0.001806 30O 2s 0.006076 0.008856 -0.001105 -0.006924 -0.005842 -0.002357 30O 3s 0.005353 0.007271 0.009342 0.041905 0.034759 -0.056033 30O 4s -0.289632 -0.309012 -0.016506 -0.033073 -0.064544 0.446770 30O 5s 0.977986 0.480682 -0.298300 -0.732500 -0.101304 -0.068931 30O 1pz -0.037243 -0.035945 -0.014215 0.056050 -0.029390 -0.032587 30O 1px 0.034074 0.093334 0.039564 -0.030553 -0.011257 -0.070823 30O 1py -0.013497 -0.029723 -0.028421 -0.003957 0.051309 0.045336 30O 2pz 0.080863 0.120588 0.053003 -0.032619 0.060984 -0.073603 30O 2px -0.051969 -0.148128 -0.070163 -0.055973 -0.040861 0.179625 30O 2py -0.053016 -0.076425 -0.007120 0.013163 -0.059363 0.066579 30O 3pz -0.162874 -0.148656 -0.249342 0.530860 -0.127081 -0.225865 30O 3px 0.416477 0.220523 0.080132 -0.246352 -0.132553 -0.149919 30O 3py 0.018375 0.108344 0.168314 -0.440583 0.224831 0.182799 30O 1dz2 -0.001343 -0.002159 0.000843 -0.000057 -0.000510 0.002441 30O 1dxz -0.003185 -0.004743 -0.002080 0.006467 -0.001125 -0.000031 30O 1dyz -0.005359 -0.006729 -0.002334 0.007711 0.001712 0.004669 30O 1dx2y2 0.000357 -0.001970 0.001288 0.001461 0.001921 0.003900 30O 1dxy 0.002803 0.004540 0.002420 -0.004328 0.004716 -0.002874 30O 2dz2 -0.088995 -0.059025 -0.014799 -0.029451 -0.021005 0.120864 30O 2dxz -0.043549 -0.119736 -0.090504 0.250518 0.011628 -0.047656 30O 2dyz -0.170611 -0.105750 -0.012999 0.224891 -0.060408 0.008750 30O 2dx2y2 0.030315 0.108116 0.091460 -0.004867 -0.102759 -0.103315 30O 2dxy -0.029505 0.108766 0.117673 -0.148768 0.122702 0.022882 30O 1f0 -0.006011 -0.008040 -0.000521 0.006171 -0.002567 0.004642 30O 1f+1 0.002922 0.002455 -0.001804 0.000451 -0.001110 0.001230 30O 1f-1 -0.001689 -0.002347 -0.000119 0.002115 -0.001768 0.002642 30O 1f+2 -0.003330 -0.001597 0.001376 0.004243 -0.002281 0.000374 30O 1f-2 0.003723 0.010894 0.006427 -0.002495 0.004032 -0.008625 30O 1f+3 0.001621 0.002086 -0.005082 0.000673 -0.001032 0.001491 30O 1f-3 -0.001009 0.009290 0.006453 -0.000945 0.002566 -0.006277 31O 1s 0.002116 -0.004054 -0.000147 -0.002608 0.001345 -0.001900 31O 2s 0.004784 -0.009265 -0.000731 -0.007450 0.004709 -0.002674 31O 3s 0.005117 -0.009685 0.009860 0.045990 -0.035811 -0.053116 31O 4s -0.250278 0.344066 -0.031457 -0.048761 0.113498 0.435698 31O 5s 0.905224 -0.574776 -0.241789 -0.710732 -0.025952 -0.116120 31O 1pz 0.030655 -0.035806 0.017085 -0.053738 -0.028960 0.035870 31O 1px -0.021693 0.093638 -0.044678 0.030167 -0.001094 0.072474 31O 1py 0.008803 -0.030454 0.029659 -0.000380 0.045063 -0.052025 31O 2pz -0.065513 0.126284 -0.058496 0.029120 0.068189 0.062690 31O 2px 0.033583 -0.152424 0.075979 0.061911 -0.050261 -0.171753 31O 2py 0.044251 -0.082607 0.008911 -0.009431 -0.064185 -0.054648 31O 3pz 0.138831 -0.137261 0.268872 -0.517467 -0.149222 0.228210 31O 3px -0.380847 0.248287 -0.104776 0.242245 -0.076890 0.180913 31O 3py -0.009945 0.086358 -0.187711 0.427318 0.243882 -0.199344 31O 1dz2 -0.001031 0.002425 0.000650 -0.000135 0.000951 0.002407 31O 1dxz -0.002506 0.004884 -0.002336 0.006415 0.001803 -0.000177 31O 1dyz -0.004346 0.007072 -0.002756 0.007765 -0.000400 0.004870 31O 1dx2y2 0.000617 0.001950 0.001199 0.001717 -0.001263 0.004138 31O 1dxy 0.002286 -0.004559 0.002700 -0.004025 -0.005294 -0.002212 31O 2dz2 -0.084870 0.071582 -0.019333 -0.033202 0.036713 0.118172 31O 2dxz -0.023328 0.111457 -0.099734 0.250030 0.005839 -0.042684 31O 2dyz -0.152253 0.117001 -0.022319 0.213199 0.085218 0.003481 31O 2dx2y2 0.014195 -0.104397 0.095405 -0.012897 0.090674 -0.115579 31O 2dxy -0.040325 -0.090886 0.128212 -0.142578 -0.128049 0.037147 31O 1f0 0.004884 -0.008530 0.000898 -0.005893 -0.003507 -0.004182 31O 1f+1 -0.002578 0.002836 0.001760 -0.000216 -0.001107 -0.001063 31O 1f-1 0.001469 -0.002502 0.000333 -0.001980 -0.002233 -0.002309 31O 1f+2 0.003056 -0.001891 -0.001298 -0.003948 -0.002798 -0.000035 31O 1f-2 -0.002232 0.010931 -0.007039 0.002102 0.004802 0.008009 31O 1f+3 -0.001467 0.002455 0.005022 -0.000301 -0.001093 -0.001361 31O 1f-3 0.002173 0.008590 -0.006943 0.000955 0.002959 0.005875 32O 1s -0.001607 0.000202 -0.017256 -0.004728 -0.022041 0.020042 32O 2s -0.004801 -0.002009 -0.056800 -0.015291 -0.076691 0.068989 32O 3s 0.018671 0.072880 0.363313 0.087347 0.593054 -0.517958 32O 4s 0.013482 -0.330580 -0.473597 -0.075752 -1.166376 0.960780 32O 5s -0.068213 0.236745 -0.432097 -0.140662 -0.141138 0.176953 32O 1pz -0.005287 0.022261 0.087054 -0.060899 0.029185 0.060815 32O 1px -0.008409 -0.046120 0.002044 -0.016906 -0.114639 0.140569 32O 1py 0.059648 0.030580 0.068684 -0.040140 0.143747 -0.120059 32O 2pz 0.099659 -0.060468 -0.377024 0.328358 -0.028957 -0.267894 32O 2px 0.037982 0.069534 0.045039 0.131266 0.417976 -0.495635 32O 2py -0.065024 -0.119062 -0.178784 0.015431 -0.467852 0.401838 32O 3pz -0.030109 -0.046915 0.197530 -0.048048 0.064847 -0.012637 32O 3px -0.074263 0.051574 -0.333484 -0.100102 -0.384435 0.433429 32O 3py 0.005275 0.015456 -0.121181 -0.048201 -0.182404 0.091697 32O 1dz2 -0.002127 0.000364 0.004463 -0.002436 0.003262 -0.003092 32O 1dxz 0.001774 -0.001887 0.002908 0.004524 0.008508 -0.009322 32O 1dyz -0.002726 0.000392 0.005299 -0.003591 0.000027 0.003396 32O 1dx2y2 -0.000317 0.000637 -0.008034 0.001193 -0.010417 0.009810 32O 1dxy 0.001621 -0.000417 -0.000851 -0.004999 -0.007116 0.009292 32O 2dz2 -0.029959 0.004775 -0.097064 0.012320 -0.032396 -0.017038 32O 2dxz -0.005483 -0.077387 0.081270 -0.007261 -0.096199 0.150644 32O 2dyz 0.015481 -0.018600 0.092043 0.038315 0.057712 -0.008391 32O 2dx2y2 -0.037849 0.053884 0.010961 0.071111 0.010701 0.085771 32O 2dxy -0.002316 -0.038014 -0.068653 -0.015215 -0.161839 0.162237 32O 1f0 0.002009 -0.010677 -0.015049 0.000512 -0.033373 0.025371 32O 1f+1 0.001711 0.004787 0.004278 0.005974 0.019337 -0.016917 32O 1f-1 0.003776 -0.012588 -0.025577 0.012590 -0.035628 0.020320 32O 1f+2 -0.003422 0.005394 0.009812 -0.002180 0.011321 -0.004668 32O 1f-2 -0.004344 -0.005400 0.004323 -0.021274 -0.033435 0.041079 32O 1f+3 0.000433 0.001244 -0.003465 0.006485 0.004828 -0.006335 32O 1f-3 0.006413 0.002036 -0.000397 0.006963 0.015276 -0.017924 33O 1s -0.002250 -0.005023 0.000725 -0.002444 -0.005044 -0.003568 33O 2s -0.005284 -0.014076 0.002686 -0.005804 -0.014505 -0.010464 33O 3s 0.002898 0.051546 0.003186 -0.018407 0.039418 0.040257 33O 4s 0.150731 0.049822 -0.111035 0.365337 0.177563 0.137124 33O 5s -0.402877 -0.557064 -0.586352 -0.685678 0.878625 -0.702054 33O 1pz -0.009647 0.026215 -0.014751 0.015059 -0.034005 0.003074 33O 1px 0.023715 0.092875 -0.004927 0.004077 -0.004530 0.071284 33O 1py 0.001470 -0.013852 -0.036764 -0.007915 0.007449 0.004961 33O 2pz 0.094778 0.011293 -0.051368 0.041192 0.179829 0.055427 33O 2px -0.039846 -0.068400 0.112915 -0.109326 -0.133123 -0.050874 33O 2py 0.033310 0.024224 0.026301 0.009796 0.020581 0.045452 33O 3pz -0.114844 -0.179416 -0.543572 0.418586 0.597758 -0.033920 33O 3px 0.123723 0.316665 0.156151 0.145273 -0.527605 0.297517 33O 3py -0.023749 -0.015028 -0.347078 0.252938 0.103044 0.060554 33O 1dz2 -0.002936 -0.001968 -0.001640 0.002638 -0.000218 -0.003277 33O 1dxz 0.005997 0.004430 0.005171 -0.004487 0.004933 0.006273 33O 1dyz -0.002602 -0.003896 -0.003715 -0.000550 0.000194 -0.000155 33O 1dx2y2 -0.002943 -0.000929 -0.001742 0.000353 -0.000175 -0.002325 33O 1dxy 0.001195 -0.000849 0.002265 -0.003034 0.003432 0.003418 33O 2dz2 -0.032169 0.064277 -0.103564 0.025424 0.011733 -0.004663 33O 2dxz 0.051238 0.192760 0.198194 -0.222846 -0.104509 0.124254 33O 2dyz -0.133005 -0.034632 -0.114455 -0.053547 0.000569 -0.037417 33O 2dx2y2 -0.044571 -0.095299 -0.051907 0.038242 0.050227 -0.118916 33O 2dxy 0.001462 0.032016 0.145696 -0.147083 -0.002991 -0.030905 33O 1f0 0.000824 -0.005140 0.004304 0.001324 -0.000461 -0.002373 33O 1f+1 -0.002315 -0.002729 -0.002325 0.002815 -0.003163 -0.000404 33O 1f-1 0.007538 0.003284 0.002756 0.001981 0.005099 0.006479 33O 1f+2 0.001696 0.008025 -0.002780 -0.000550 0.003665 0.001157 33O 1f-2 -0.003194 -0.000583 -0.002614 0.000605 0.000972 0.002694 33O 1f+3 0.001859 0.003218 -0.000373 0.003251 0.005951 0.002977 33O 1f-3 0.001680 -0.000613 -0.000821 0.004198 -0.001573 0.000930 34O 1s 0.002021 -0.000607 -0.001560 -0.003733 0.004713 -0.002238 34O 2s 0.006309 0.000250 -0.003249 -0.012040 0.012700 -0.006998 34O 3s -0.026713 -0.036892 -0.006584 0.070533 -0.020532 0.014479 34O 4s -0.086132 0.269785 0.100406 -0.040692 -0.260041 0.161447 34O 5s 0.379973 -0.284031 -0.066237 -0.156630 -0.570674 0.250538 34O 1pz -0.003421 0.029448 -0.025731 0.046226 -0.007798 -0.017210 34O 1px -0.029962 0.059869 0.025230 0.076465 0.018831 -0.017990 34O 1py -0.010666 0.000561 -0.021227 -0.010097 0.001661 -0.040690 34O 2pz 0.032084 -0.061352 0.000909 -0.092680 0.005011 0.020879 34O 2px 0.036004 0.021134 -0.017960 -0.153061 -0.204143 0.138602 34O 2py -0.016083 0.020685 0.054641 0.107356 0.042490 -0.012670 34O 3pz -0.455288 0.259412 0.074559 0.290498 -0.112341 0.202962 34O 3px -0.196575 -0.090775 0.284252 0.371215 -0.496733 0.331399 34O 3py 0.495059 -0.101310 -0.458694 -0.293631 0.201440 -0.451806 34O 1dz2 0.001514 -0.001893 0.000833 -0.002910 -0.004500 -0.002415 34O 1dxz -0.003358 -0.000785 -0.000544 0.001545 0.001251 0.000593 34O 1dyz -0.001357 0.002251 0.006992 0.003612 0.001287 -0.002424 34O 1dx2y2 -0.003576 0.000739 0.004762 0.008007 0.001790 -0.001066 34O 1dxy 0.002997 0.000864 -0.001230 -0.001581 -0.003952 -0.003544 34O 2dz2 0.077742 -0.056704 0.011098 -0.040719 -0.030596 -0.100408 34O 2dxz -0.050338 0.059389 -0.033374 0.028472 -0.032199 0.081924 34O 2dyz -0.163956 0.077153 0.126516 0.062403 -0.024458 0.030276 34O 2dx2y2 -0.187560 0.085760 0.178402 0.238513 -0.087187 0.066496 34O 2dxy 0.069516 0.047428 -0.080901 0.037404 0.050492 -0.204425 34O 1f0 -0.003767 0.005952 0.002787 0.005916 -0.000166 0.000835 34O 1f+1 -0.005881 0.002894 -0.002337 0.004693 0.006973 -0.000109 34O 1f-1 0.001207 0.000600 0.001367 -0.003403 0.001202 -0.001994 34O 1f+2 0.002592 -0.004527 0.002222 0.001593 0.003650 -0.006998 34O 1f-2 0.002146 0.001980 -0.000621 0.006692 0.001528 -0.001993 34O 1f+3 -0.001342 -0.002920 0.002129 0.000953 0.003508 -0.001442 34O 1f-3 0.007755 -0.004900 -0.001142 -0.012063 -0.000183 -0.002689 35O 1s -0.001323 -0.000775 -0.003079 -0.000633 -0.000996 -0.004610 35O 2s -0.004270 0.000333 -0.010975 0.000124 -0.004548 -0.013048 35O 3s 0.019399 -0.051355 0.084646 -0.038586 0.043977 0.034243 35O 4s 0.020717 0.335687 -0.218972 0.277644 -0.191804 0.252715 35O 5s 0.250165 0.208834 -0.076071 -0.863348 0.645328 -0.380218 35O 1pz -0.001975 -0.006529 -0.005787 0.000300 0.029647 0.051043 35O 1px 0.068688 0.045806 0.036147 -0.020523 0.046388 0.006242 35O 1py 0.026285 0.025406 0.025139 -0.020612 0.009956 0.061731 35O 2pz -0.043687 -0.002234 -0.095231 0.000807 -0.024010 -0.068690 35O 2px -0.040720 0.147195 -0.152767 0.025312 -0.074190 0.067141 35O 2py -0.038153 0.042634 -0.116916 0.010937 -0.005619 -0.059583 35O 3pz 0.550362 -0.179601 0.310935 0.476906 0.228669 0.495533 35O 3px 0.496326 0.032153 0.397925 -0.251998 0.439530 0.029278 35O 3py 0.511555 0.085911 0.327987 0.309653 0.189954 0.442099 35O 1dz2 -0.004176 0.004174 -0.008107 -0.002394 -0.005565 -0.001051 35O 1dxz 0.003580 -0.005418 0.002873 -0.000806 0.000317 0.002742 35O 1dyz -0.000152 -0.001745 -0.001788 -0.002794 0.000622 -0.003356 35O 1dx2y2 0.001765 0.000164 0.002245 -0.000193 0.001924 0.000149 35O 1dxy 0.004414 -0.001660 0.005610 0.001006 0.004596 0.001670 35O 2dz2 -0.252205 -0.015426 -0.165157 -0.046930 -0.117380 -0.095716 35O 2dxz 0.067743 -0.135632 -0.043924 0.126193 0.066026 0.132723 35O 2dyz -0.078708 -0.066039 -0.025265 -0.096365 0.104034 -0.124369 35O 2dx2y2 0.146727 0.032069 0.102663 -0.027788 0.069444 0.011652 35O 2dxy 0.189555 0.066482 0.088142 0.035834 0.137092 0.102122 35O 1f0 0.005882 0.003989 0.005065 0.000718 0.001033 0.003256 35O 1f+1 0.006053 -0.005046 0.003921 -0.000284 0.002849 -0.001829 35O 1f-1 -0.001074 -0.001688 -0.003123 0.001479 -0.000244 -0.003325 35O 1f+2 -0.003755 -0.002535 -0.000551 -0.003481 -0.000583 -0.000594 35O 1f-2 -0.006759 -0.003677 -0.009195 0.004318 -0.004575 -0.004262 35O 1f+3 -0.003814 -0.004961 -0.000703 -0.000307 0.001587 -0.003650 35O 1f-3 0.005912 -0.005273 0.006908 -0.001268 0.004354 0.001873 414 415 416 417 418 419 2.27447 2.27468 2.28087 2.29837 2.31250 2.31325 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s 0.000748 -0.000539 0.000191 -0.001180 0.000071 -0.001442 0Rh 2s -0.008388 -0.002370 -0.001282 0.005983 -0.000874 0.011438 0Rh 3s -0.000703 -0.004620 0.000341 -0.003305 -0.000110 -0.001528 0Rh 4s 0.043061 0.012656 0.006486 -0.030280 0.004635 -0.058366 0Rh 5s -0.094338 -0.053684 -0.010775 0.043353 -0.012690 0.110292 0Rh 6s 0.121187 0.161018 0.000012 0.027046 0.033241 -0.067504 0Rh 7s -0.741170 -1.149333 0.055096 -0.302517 -0.485583 0.143502 0Rh 8s 0.517616 0.162836 -0.157909 -0.030579 0.024463 -0.646413 0Rh 1pz -0.002935 0.004382 -0.007365 -0.001351 0.013799 0.005621 0Rh 1px -0.003931 -0.013463 0.002567 0.001814 -0.001453 -0.018260 0Rh 1py 0.005893 -0.004134 -0.004328 -0.008205 -0.005033 -0.001672 0Rh 2pz 0.009566 -0.015423 0.024321 0.004656 -0.048730 -0.020894 0Rh 2px 0.012470 0.047535 -0.009798 -0.006545 0.005161 0.065978 0Rh 2py -0.019527 0.013658 0.014113 0.028575 0.017676 0.006454 0Rh 3pz 0.010708 0.009359 0.019805 -0.000509 0.032561 0.036058 0Rh 3px 0.021353 -0.032312 0.022270 0.007593 -0.003902 -0.075179 0Rh 3py -0.014507 0.010875 0.015577 -0.010626 -0.009913 -0.016012 0Rh 4pz -0.112836 0.068417 -0.254467 -0.030769 0.204383 -0.004869 0Rh 4px -0.175166 -0.195416 -0.024698 0.012233 -0.022056 -0.150603 0Rh 4py 0.199554 -0.140802 -0.164544 -0.153680 -0.080117 0.021426 0Rh 5pz 0.222370 -0.127600 0.492528 0.060258 -0.388398 0.018998 0Rh 5px 0.337262 0.377530 0.049816 -0.008886 0.060419 0.286522 0Rh 5py -0.391857 0.266845 0.317710 0.281115 0.138678 -0.041790 0Rh 6pz -0.278380 -0.370350 -0.197680 -0.178571 -0.108172 -0.274557 0Rh 6px -0.551954 -0.683515 -0.191512 -0.319915 -0.390347 0.420932 0Rh 6py 0.287555 -0.037472 -0.081324 0.119606 0.320785 0.265269 0Rh 1dz2 -0.008813 -0.021309 -0.005309 -0.008457 0.010046 0.008936 0Rh 1dxz 0.009335 0.017772 0.002080 0.018922 -0.008644 0.019985 0Rh 1dyz 0.005505 0.007231 -0.003869 -0.006233 0.000716 0.001268 0Rh 1dx2y2 0.024092 0.013107 -0.001333 -0.005790 -0.007710 -0.023209 0Rh 1dxy -0.009220 -0.008254 0.005738 0.020728 0.002220 -0.010641 0Rh 2dz2 -0.001374 0.001017 -0.000875 0.002918 -0.000842 -0.003781 0Rh 2dxz 0.001418 -0.000900 0.003340 -0.001795 -0.000999 -0.003357 0Rh 2dyz -0.001410 -0.002508 0.000298 0.007718 -0.003663 -0.000090 0Rh 2dx2y2 -0.001053 -0.002169 -0.000420 0.001069 0.002120 0.006147 0Rh 2dxy -0.003264 0.001131 0.002026 0.002710 0.000161 0.002219 0Rh 3dz2 0.029707 0.052714 0.017909 0.009464 -0.023303 -0.007479 0Rh 3dxz -0.031334 -0.044137 -0.020098 -0.043441 0.027826 -0.039189 0Rh 3dyz -0.008215 -0.008440 0.008834 -0.017970 0.014438 -0.003104 0Rh 3dx2y2 -0.059990 -0.025393 0.005491 0.011032 0.011727 0.035415 0Rh 3dxy 0.039221 0.017599 -0.024313 -0.068285 -0.006597 0.018920 0Rh 4dz2 -0.016695 0.019211 -0.006733 0.048710 -0.015581 -0.056580 0Rh 4dxz 0.018630 -0.011319 0.043124 -0.024929 -0.013370 -0.055860 0Rh 4dyz -0.027330 -0.035513 0.011021 0.119678 -0.054421 -0.000074 0Rh 4dx2y2 -0.022894 -0.036947 -0.006487 0.014809 0.027922 0.098908 0Rh 4dxy -0.043755 0.012484 0.026292 0.039029 0.000015 0.036631 0Rh 5dz2 -0.007712 -0.202953 -0.066519 -0.235572 0.110208 0.290448 0Rh 5dxz -0.047971 0.084066 -0.115752 0.171394 -0.000662 0.394101 0Rh 5dyz 0.188119 0.121959 -0.161804 -0.473648 0.194700 -0.007365 0Rh 5dx2y2 0.269351 0.245418 0.024894 -0.076680 -0.105917 -0.609247 0Rh 5dxy 0.110783 -0.048256 -0.066799 -0.044514 0.025171 -0.241169 0Rh 1f0 -0.062351 0.009488 -0.048000 0.026382 0.074507 0.155155 0Rh 1f+1 0.089151 0.087711 0.082386 0.135395 -0.068336 -0.139485 0Rh 1f-1 0.030165 0.061820 0.000413 0.103417 0.027830 -0.091703 0Rh 1f+2 0.017905 -0.028770 -0.017061 0.037806 0.214273 -0.177598 0Rh 1f-2 -0.038840 -0.011043 0.069726 0.239777 0.044814 -0.086271 0Rh 1f+3 0.165045 0.081125 0.047370 -0.010065 -0.041822 -0.259861 0Rh 1f-3 0.051481 -0.005827 0.010663 0.040140 0.058980 -0.139778 1Rh 1s -0.000774 0.000425 -0.000236 -0.001175 0.000434 0.001571 1Rh 2s 0.001604 -0.008640 0.002130 0.005945 -0.003688 -0.012674 1Rh 3s -0.003584 -0.002764 -0.000091 -0.003301 0.000311 0.001531 1Rh 4s -0.007833 0.044569 -0.010860 -0.030089 0.018990 0.064723 1Rh 5s -0.004598 -0.109453 0.021407 0.043034 -0.039589 -0.123800 1Rh 6s 0.083058 0.182273 -0.017455 0.027005 0.049116 0.084156 1Rh 7s -0.650637 -1.186454 0.061931 -0.299771 -0.521265 -0.275920 1Rh 8s -0.094573 0.557154 0.114345 -0.032067 0.169577 0.722528 1Rh 1pz -0.005603 0.000141 -0.007195 0.001420 -0.012741 0.005775 1Rh 1px 0.010438 0.010281 0.001259 -0.001808 -0.002176 -0.016249 1Rh 1py 0.006197 -0.003500 -0.004539 0.008367 0.004374 -0.004915 1Rh 2pz 0.019303 0.000076 0.023685 -0.004878 0.044790 -0.021559 1Rh 2px -0.037566 -0.035135 -0.005242 0.006527 0.007975 0.058883 1Rh 2py -0.020512 0.011585 0.014850 -0.029108 -0.015225 0.017900 1Rh 3pz -0.002683 -0.012419 0.020945 0.000217 -0.025574 0.038993 1Rh 3px 0.040584 -0.000788 0.020444 -0.007655 -0.011520 -0.070712 1Rh 3py -0.015619 0.008972 0.015215 0.010143 0.005628 -0.023483 1Rh 4pz -0.124149 0.052414 -0.254752 0.033537 -0.205954 -0.011181 1Rh 4px 0.091964 0.247059 -0.048678 -0.011850 -0.006000 -0.119223 1Rh 4py 0.209655 -0.120714 -0.168012 0.159485 0.080895 -0.027008 1Rh 5pz 0.237977 -0.106852 0.492784 -0.065568 0.392463 0.022740 1Rh 5px -0.178268 -0.476852 0.095579 0.008062 -0.007662 0.223762 1Rh 5py -0.403655 0.240880 0.323231 -0.292478 -0.141141 0.045905 1Rh 6pz 0.206383 0.409889 -0.212709 0.177260 0.076462 -0.158198 1Rh 6px 0.346683 0.812707 -0.260257 0.325200 0.500740 0.499271 1Rh 6py 0.177316 -0.213807 -0.047786 -0.104396 -0.242390 0.416564 1Rh 1dz2 -0.014454 -0.017490 0.006886 -0.008895 0.007846 -0.010826 1Rh 1dxz 0.010810 0.016658 -0.002914 0.019071 -0.012939 -0.019573 1Rh 1dyz 0.003975 0.008617 0.002932 -0.006511 0.001322 -0.000947 1Rh 1dx2y2 0.000439 0.027458 -0.000871 -0.006042 -0.002591 0.024850 1Rh 1dxy -0.003671 -0.012461 -0.003976 0.020820 0.004235 0.007400 1Rh 2dz2 0.001556 -0.000622 0.000858 0.002945 -0.000255 0.003543 1Rh 2dxz -0.001577 0.000617 -0.003424 -0.001750 -0.000265 0.002691 1Rh 2dyz -0.001642 -0.002337 0.000016 0.007843 -0.003971 0.001909 1Rh 2dx2y2 -0.001450 -0.001946 0.000619 0.001063 0.000750 -0.006399 1Rh 2dxy 0.002405 -0.002505 -0.002004 0.002808 -0.000456 -0.001943 1Rh 3dz2 0.031955 0.049685 -0.022077 0.010513 -0.019926 0.013507 1Rh 3dxz -0.022414 -0.047682 0.022728 -0.044043 0.036191 0.040946 1Rh 3dyz -0.003648 -0.012559 -0.007707 -0.017797 0.014228 -0.005884 1Rh 3dx2y2 0.005398 -0.064974 -0.000458 0.011743 0.003991 -0.038805 1Rh 3dxy -0.000402 0.044769 0.019438 -0.068972 -0.009280 -0.011391 1Rh 4dz2 0.024688 -0.004304 0.006220 0.049453 -0.006848 0.055665 1Rh 4dxz -0.020058 0.008679 -0.044427 -0.024345 -0.001119 0.047472 1Rh 4dyz -0.020170 -0.039918 -0.006250 0.121982 -0.060050 0.026730 1Rh 4dx2y2 -0.022296 -0.037747 0.010082 0.014784 0.005789 -0.101895 1Rh 4dxy 0.029947 -0.034767 -0.025930 0.040492 -0.010152 -0.031760 1Rh 5dz2 -0.171555 -0.102684 0.078856 -0.243869 0.061168 -0.314434 1Rh 5dxz 0.096695 0.001879 0.121087 0.170374 -0.088039 -0.374836 1Rh 5dyz 0.030127 0.228172 0.140450 -0.489734 0.229012 -0.085473 1Rh 5dx2y2 0.092629 0.355585 -0.056172 -0.078473 0.031228 0.630183 1Rh 5dxy -0.092563 0.079573 0.071458 -0.050499 0.086970 0.208291 1Rh 1f0 -0.042318 0.045970 -0.050389 -0.026786 -0.042671 0.172387 1Rh 1f+1 -0.028457 -0.113204 0.088409 -0.137948 0.038611 -0.163607 1Rh 1f-1 -0.038189 -0.055204 0.010398 -0.101065 -0.041278 -0.022662 1Rh 1f+2 0.034712 -0.001240 -0.021744 -0.038499 -0.258919 -0.196761 1Rh 1f-2 -0.002854 0.042782 0.066852 -0.242696 -0.055962 -0.066741 1Rh 1f+3 0.011921 -0.176724 0.059485 0.010676 -0.013492 -0.268062 1Rh 1f-3 0.032168 -0.042125 0.010882 -0.038802 -0.088858 -0.124824 2C 1s -0.000699 -0.003946 -0.006572 0.001719 -0.001733 -0.001444 2C 2s -0.004654 -0.005086 -0.009965 0.010678 -0.009995 -0.008131 2C 3s 0.068432 -0.029773 -0.106434 -0.163174 0.070249 0.023102 2C 4s -0.229114 0.519836 1.394881 0.367889 0.075918 0.192927 2C 5s 1.083171 -1.468148 -2.813017 0.145981 0.031590 1.110730 2C 1pz 0.022577 0.050214 0.124508 -0.044074 0.006921 0.030701 2C 1px 0.044751 0.050115 0.068109 0.181321 -0.076561 -0.081449 2C 1py -0.042467 0.055351 0.070306 -0.047008 -0.003996 -0.084858 2C 2pz -0.059382 0.467468 0.864363 0.282040 0.086928 0.016258 2C 2px -0.224783 -0.162912 0.012234 -0.429977 0.160343 -0.078246 2C 2py 0.022820 0.267094 0.616164 0.199610 -0.003720 0.342214 2C 3pz 0.156523 -0.282820 -0.430344 0.045761 -0.015278 0.237878 2C 3px 0.086689 -0.148386 -0.399219 0.195539 -0.112728 -0.151668 2C 3py 0.178053 -0.144133 -0.237395 0.052448 -0.052556 0.167992 2C 1dz2 0.002895 -0.008780 -0.030239 0.001109 0.012428 -0.034248 2C 1dxz -0.020374 -0.046704 -0.025907 -0.083103 0.058086 -0.002298 2C 1dyz 0.002321 -0.020238 -0.020960 0.010931 -0.008464 0.010032 2C 1dx2y2 -0.007704 -0.001167 0.001598 -0.002513 0.001649 -0.059468 2C 1dxy -0.005941 -0.009335 0.013718 -0.028725 0.028599 0.057688 2C 2dz2 -0.008709 0.173012 0.314977 0.069772 0.043217 0.194248 2C 2dxz -0.071786 0.120892 0.057901 0.050129 -0.130790 -0.004019 2C 2dyz -0.028763 0.130898 0.355460 0.081259 0.022476 -0.015365 2C 2dx2y2 -0.053532 -0.053731 -0.043183 0.043918 -0.031419 -0.018070 2C 2dxy 0.031927 -0.019623 -0.001208 0.040342 -0.003613 -0.200520 2C 1f0 -0.007699 -0.031017 -0.038584 -0.006042 -0.008570 -0.097224 2C 1f+1 -0.001454 -0.001247 0.030967 0.025581 -0.012758 -0.001718 2C 1f-1 0.010690 0.032820 0.062953 -0.010581 0.035472 0.051588 2C 1f+2 -0.002112 0.037103 0.039192 -0.017113 0.026111 0.013010 2C 1f-2 -0.002474 -0.052210 -0.072440 -0.071192 0.057770 0.030976 2C 1f+3 -0.038515 0.058446 0.091201 0.007728 -0.022705 -0.062625 2C 1f-3 -0.008899 0.008922 0.028963 0.057345 -0.055596 -0.049012 3C 1s -0.007034 0.000553 -0.000415 -0.001657 -0.001185 -0.000888 3C 2s -0.009072 0.001075 0.001710 -0.009550 -0.005479 -0.005483 3C 3s -0.107218 0.012529 -0.041901 0.100921 0.019838 -0.015848 3C 4s 1.317808 -0.286953 0.238383 -0.144978 0.039780 0.352870 3C 5s -2.919634 0.820613 -0.984347 -0.341620 1.654792 0.006757 3C 1pz 0.019230 -0.073383 0.025266 0.082555 -0.083145 0.023710 3C 1px 0.164837 0.041262 -0.011635 -0.086380 -0.122874 -0.078104 3C 1py -0.121389 0.027999 -0.026820 0.011239 -0.066228 0.016226 3C 2pz 0.690842 0.131961 0.022308 -0.208623 0.324042 0.043635 3C 2px -0.002239 -0.343606 0.189216 0.211363 0.442307 0.125418 3C 2py -0.924472 0.069775 -0.072136 0.107801 0.181633 -0.185100 3C 3pz -0.079393 -0.007989 -0.140990 -0.017518 0.239145 0.083099 3C 3px -0.262204 0.141428 -0.051182 -0.110888 0.148392 -0.140262 3C 3py 0.607835 -0.122004 0.146310 0.124205 -0.313710 -0.016105 3C 1dz2 0.008769 0.014574 -0.002507 -0.031720 -0.009351 -0.022796 3C 1dxz -0.008790 -0.008889 0.010368 0.048441 0.134431 0.039134 3C 1dyz 0.006652 -0.019286 0.001826 0.038855 0.000186 0.013343 3C 1dx2y2 0.038560 -0.009464 0.019431 0.000223 0.112511 -0.008798 3C 1dxy 0.044493 0.036778 0.002385 -0.060770 -0.032752 -0.020312 3C 2dz2 -0.101532 0.003749 -0.021517 0.117020 0.001656 0.020364 3C 2dxz -0.040072 0.025524 -0.017795 -0.115353 -0.366916 -0.011503 3C 2dyz -0.364944 0.035861 0.023884 -0.038256 -0.080477 -0.088542 3C 2dx2y2 -0.335415 -0.007404 -0.056716 -0.020017 -0.274628 -0.080112 3C 2dxy -0.132677 0.063301 -0.109778 0.106544 0.083025 0.073334 3C 1f0 -0.082166 0.024921 -0.014286 -0.014423 0.082990 -0.000713 3C 1f+1 -0.017565 -0.007773 0.002747 -0.039994 -0.021073 -0.039208 3C 1f-1 -0.092615 -0.013540 -0.022395 0.043714 -0.063375 0.021694 3C 1f+2 0.080306 -0.017250 0.027210 -0.037140 -0.022206 -0.036252 3C 1f-2 0.050644 0.018125 0.001136 -0.006288 -0.006662 -0.000855 3C 1f+3 0.062392 0.000057 0.014521 0.009872 0.097730 0.038310 3C 1f-3 -0.049259 0.014211 -0.004522 0.061511 0.081329 0.057227 4C 1s -0.002397 -0.013198 -0.039108 -0.007177 -0.003125 -0.003290 4C 2s -0.008079 -0.042017 -0.127044 -0.023871 -0.011603 -0.012756 4C 3s 0.007077 0.341153 1.254128 0.408309 -0.015055 0.096256 4C 4s 0.453016 -0.405505 -2.553327 -1.161552 0.640509 0.054176 4C 5s -0.611021 0.916546 2.118833 0.329702 0.025557 -0.347263 4C 1pz 0.110569 -0.001648 0.018254 0.120959 0.034903 0.022234 4C 1px -0.065913 -0.168967 -0.041676 -0.264107 0.032172 0.082238 4C 1py 0.009265 -0.030578 0.002033 0.002856 0.021680 0.074068 4C 2pz -0.123852 0.406594 0.655116 -0.171341 0.116654 0.124085 4C 2px -0.290806 0.342269 -0.018112 0.295392 0.163691 -0.148014 4C 2py -0.043298 0.276226 0.380916 -0.042852 0.161933 -0.004670 4C 3pz 0.443239 -0.812315 -1.406489 0.511842 -0.371780 0.349467 4C 3px -0.423883 -0.124154 0.078135 -0.085158 -0.170165 0.255734 4C 3py 0.121959 -0.531732 -0.824136 0.360267 -0.273561 0.419402 4C 1dz2 -0.014239 -0.031716 -0.013836 -0.016268 -0.005417 0.014442 4C 1dxz 0.028791 0.026793 0.022220 0.001222 0.023224 0.042649 4C 1dyz -0.005721 -0.036719 -0.034926 -0.012863 0.019232 0.000365 4C 1dx2y2 -0.018420 -0.001567 -0.041174 0.017416 -0.048788 -0.018980 4C 1dxy 0.017942 -0.006323 -0.020161 0.019827 0.005633 0.032010 4C 2dz2 -0.085944 -0.236473 -0.534378 0.056629 -0.167820 -0.073119 4C 2dxz -0.186422 -0.245815 -0.657310 -0.014474 -0.105163 -0.365435 4C 2dyz 0.042705 -0.396694 -0.826008 -0.045612 -0.168074 -0.160933 4C 2dx2y2 -0.016403 0.264193 0.475324 -0.225987 0.227701 0.005482 4C 2dxy -0.114022 0.078125 -0.115676 -0.076674 0.054720 0.032590 4C 1f0 0.004480 -0.008755 -0.022891 0.026402 0.002478 -0.032775 4C 1f+1 -0.013931 -0.032745 -0.019558 -0.011687 -0.013385 -0.030181 4C 1f-1 0.026474 0.013592 0.004782 0.043577 -0.008818 0.011360 4C 1f+2 0.009877 -0.000400 0.007814 -0.058938 0.048336 -0.014858 4C 1f-2 -0.019002 -0.032491 -0.000086 -0.039649 0.025836 -0.020659 4C 1f+3 0.004325 -0.010677 0.018150 0.001326 0.008690 0.023740 4C 1f-3 -0.004613 0.011601 -0.007179 0.042117 -0.014992 0.011478 5C 1s -0.039455 0.007552 -0.001863 0.001749 -0.002971 -0.004274 5C 2s -0.128001 0.023678 -0.005285 0.004933 -0.010081 -0.016025 5C 3s 1.213673 -0.249655 0.072890 -0.145720 0.185500 0.204282 5C 4s -2.173476 0.776220 -0.365926 0.592068 -0.448057 -0.542983 5C 5s 2.154786 -0.624370 0.430479 -0.195292 -0.785481 -0.276905 5C 1pz 0.066151 0.097535 0.017160 -0.051442 0.046175 -0.002722 5C 1px -0.195959 -0.196142 -0.024537 0.118640 0.140038 0.067947 5C 1py -0.036392 -0.049558 0.079417 0.012223 -0.034625 -0.024345 5C 2pz 0.408021 -0.130897 -0.182812 0.124888 -0.064927 -0.026174 5C 2px 0.309443 0.104911 0.456331 -0.182834 -0.298014 0.219038 5C 2py -0.682780 0.080659 -0.189556 -0.083540 0.117674 -0.023869 5C 3pz -0.937459 0.261689 -0.207998 -0.380399 0.602391 -0.228635 5C 3px -0.562589 -0.229570 -0.121214 -0.277269 0.166989 0.259572 5C 3py 1.472644 -0.222143 0.422398 0.595268 -0.711635 0.271313 5C 1dz2 0.041966 -0.017777 0.001756 0.009773 -0.023492 0.014318 5C 1dxz 0.021938 0.016364 -0.006500 0.026914 0.015960 0.035645 5C 1dyz 0.058717 0.020057 -0.002873 0.000791 0.006887 -0.015519 5C 1dx2y2 0.004050 0.026802 0.000471 -0.026308 0.004319 -0.015373 5C 1dxy -0.003558 -0.022341 0.022045 -0.005618 -0.001661 -0.016296 5C 2dz2 0.000613 0.044163 -0.157537 -0.051811 0.021924 -0.019967 5C 2dxz -0.445269 0.089425 0.051497 -0.045714 0.218187 -0.033229 5C 2dyz 0.531611 -0.130026 0.180594 -0.018095 -0.010570 0.163267 5C 2dx2y2 0.675296 -0.160581 0.138383 0.029452 0.055076 0.132436 5C 2dxy 0.885846 -0.004474 -0.159878 0.134627 0.397347 0.121572 5C 1f0 -0.025440 -0.015865 0.017732 -0.020884 -0.028641 -0.009414 5C 1f+1 0.003986 0.023605 0.009834 -0.007428 0.036476 -0.006258 5C 1f-1 -0.029856 -0.034857 -0.016337 0.038342 -0.051105 0.007595 5C 1f+2 -0.007063 -0.029176 0.000814 0.032358 0.027521 -0.010911 5C 1f-2 0.025735 0.025778 -0.016851 0.012238 -0.054893 0.018368 5C 1f+3 -0.017744 -0.014042 -0.007124 -0.003743 0.038416 -0.006914 5C 1f-3 0.002920 -0.036785 0.016948 0.046580 0.050790 0.007106 6C 1s 0.025034 -0.031173 0.002995 0.002171 -0.002085 0.003611 6C 2s 0.080487 -0.101625 0.008989 0.006257 -0.006907 0.013657 6C 3s -0.789917 0.954518 -0.101928 -0.160244 0.150472 -0.188838 6C 4s 1.732869 -1.557117 0.375910 0.632150 -0.373238 0.521383 6C 5s -1.552539 1.567683 -0.466006 -0.229666 -0.714213 0.373332 6C 1pz -0.056515 -0.103881 0.029378 0.049162 -0.044004 0.016228 6C 1px 0.082288 0.264626 -0.050380 -0.120669 -0.120849 0.067533 6C 1py 0.031407 0.061998 0.072516 -0.011839 0.030898 -0.025690 6C 2pz 0.301102 -0.302611 -0.178005 -0.112834 0.051875 -0.104858 6C 2px 0.064511 -0.310039 0.479440 0.177982 0.322962 0.263710 6C 2py -0.398388 0.543714 -0.208741 0.076117 -0.114554 0.045591 6C 3pz -0.688232 0.700310 -0.213191 0.348410 -0.612385 -0.033638 6C 3px -0.066557 0.589216 -0.163928 0.269989 -0.127253 0.280984 6C 3py 0.920808 -1.175265 0.446863 -0.554877 0.736203 0.030564 6C 1dz2 -0.035349 0.028787 -0.001758 0.009607 -0.023177 0.006622 6C 1dxz 0.004153 0.027374 0.004188 0.027380 0.008341 -0.033795 6C 1dyz -0.009482 0.061448 -0.002015 -0.000153 0.007249 0.006220 6C 1dx2y2 0.022071 0.015312 -0.002880 -0.026476 0.005947 0.014986 6C 1dxy -0.019306 -0.014680 -0.019629 -0.005799 0.001958 0.015003 6C 2dz2 0.043688 0.033928 0.157402 -0.052835 0.031558 0.035690 6C 2dxz 0.284979 -0.353899 -0.041329 -0.040612 0.202832 -0.121709 6C 2dyz -0.373378 0.403061 -0.191165 -0.022859 -0.026745 -0.101610 6C 2dx2y2 -0.458970 0.516158 -0.161505 0.027070 0.031784 -0.120052 6C 2dxy -0.411139 0.785497 0.118098 0.122436 0.354932 -0.135128 6C 1f0 0.002877 0.031340 0.015120 0.020826 0.025254 -0.015332 6C 1f+1 -0.018842 -0.014341 0.012009 0.007027 -0.035426 0.007162 6C 1f-1 0.016958 0.041090 -0.021429 -0.037705 0.047997 -0.020727 6C 1f+2 0.022361 0.020173 -0.001623 -0.032174 -0.027797 0.000937 6C 1f-2 -0.011363 -0.035413 -0.013710 -0.011591 0.055956 -0.003675 6C 1f+3 0.004088 0.021840 -0.009389 0.004083 -0.039889 -0.004924 6C 1f-3 0.034356 0.015593 0.014581 -0.047088 -0.047313 0.019336 7C 1s -0.008424 -0.005628 0.039943 -0.007829 -0.002446 0.002565 7C 2s -0.026466 -0.018215 0.129707 -0.026048 -0.009182 0.010235 7C 3s 0.233015 0.092009 -1.274285 0.431729 -0.027496 -0.058113 7C 4s -0.449265 0.318638 2.570063 -1.217554 0.608635 -0.128157 7C 5s 0.940376 -0.248348 -2.154233 0.380772 0.005467 0.202630 7C 1pz 0.052159 -0.097017 0.019523 -0.121236 -0.034483 0.028095 7C 1px 0.114047 0.140348 -0.051265 0.266811 -0.025107 0.050474 7C 1py 0.030617 0.008671 -0.001757 -0.000732 -0.013797 0.043808 7C 2pz -0.365243 -0.024516 0.677855 0.153392 -0.082278 0.085104 7C 2px -0.435331 0.078115 -0.000054 -0.302710 -0.156273 0.009932 7C 2py -0.236851 -0.067076 0.406555 0.027381 -0.142244 0.055865 7C 3pz 0.856266 -0.070161 -1.474975 -0.478214 0.399112 0.209067 7C 3px -0.082921 0.440258 0.069401 0.073562 0.238548 0.266747 7C 3py 0.490825 0.109547 -0.874704 -0.335671 0.338549 0.292747 7C 1dz2 -0.020453 -0.026177 0.016070 -0.014985 -0.005593 -0.002725 7C 1dxz 0.009383 0.036796 -0.024224 0.002304 0.017991 -0.039541 7C 1dyz -0.027787 -0.019909 0.037452 -0.013959 0.020367 -0.012718 7C 1dx2y2 0.009143 -0.013928 0.041873 0.017444 -0.045257 0.026507 7C 1dxy -0.012713 0.014292 0.020851 0.019230 -0.000388 -0.025807 7C 2dz2 -0.139249 -0.144522 0.558604 0.048434 -0.142030 0.091055 7C 2dxz -0.090810 -0.226544 0.667980 -0.025472 -0.054225 0.200262 7C 2dyz -0.327640 -0.093718 0.853917 -0.066747 -0.140918 0.114806 7C 2dx2y2 0.213225 0.068222 -0.504741 -0.212153 0.214312 -0.105164 7C 2dxy 0.128917 -0.062953 0.118774 -0.079243 0.039991 0.006519 7C 1f0 0.008818 -0.002382 -0.021723 -0.026698 -0.005959 0.003570 7C 1f+1 0.021013 0.025466 -0.021268 0.011433 0.008416 -0.026809 7C 1f-1 0.000558 -0.030224 0.005971 -0.043529 0.009720 0.011583 7C 1f+2 0.004445 -0.008091 0.009196 0.057785 -0.050127 0.009797 7C 1f-2 0.018832 0.032620 -0.002242 0.039898 -0.030872 -0.023264 7C 1f+3 0.012563 0.002639 0.015963 -0.000792 -0.006678 0.003103 7C 1f-3 -0.012638 -0.002256 -0.007906 -0.041880 0.017052 -0.001538 8C 1s 0.003820 -0.005992 0.000734 -0.001570 -0.000934 0.000580 8C 2s 0.005213 -0.007895 -0.001155 -0.009507 -0.004202 0.004380 8C 3s 0.062683 -0.084930 0.041398 0.102662 0.016299 0.014822 8C 4s -0.881129 1.016810 -0.260214 -0.161194 0.005147 -0.262097 8C 5s 2.140783 -2.123110 1.002999 -0.263053 1.589337 -0.350463 8C 1pz 0.076671 0.018392 0.019779 -0.079670 0.084295 -0.006401 8C 1px 0.039239 -0.165481 -0.001037 0.090538 0.099682 -0.098002 8C 1py -0.081791 0.091137 -0.031302 -0.011185 0.061110 -0.005369 8C 2pz 0.202458 -0.672104 0.066754 0.211594 -0.303154 0.145812 8C 2px 0.312052 0.170398 0.160608 -0.214911 -0.405181 0.208162 8C 2py -0.500351 0.780286 -0.099267 -0.121533 -0.184566 -0.019819 8C 3pz -0.038470 0.062899 -0.138507 0.013639 -0.217882 0.123803 8C 3px -0.254905 0.169454 -0.046715 0.105738 -0.166496 -0.065988 8C 3py 0.397387 -0.466297 0.157859 -0.106931 0.300453 -0.073526 8C 1dz2 0.009165 0.014782 0.000650 -0.031576 -0.004665 0.012260 8C 1dxz -0.003929 -0.012221 -0.010162 0.049567 0.118788 -0.075837 8C 1dyz -0.020846 -0.002927 -0.000023 0.038487 -0.001688 -0.001958 8C 1dx2y2 -0.026389 0.028206 -0.021477 0.000624 0.106470 -0.027886 8C 1dxy 0.011834 0.055867 -0.007990 -0.061690 -0.028336 0.020858 8C 2dz2 0.052850 -0.084918 0.025285 0.115874 -0.008517 -0.043577 8C 2dxz 0.040135 -0.022986 0.020607 -0.116047 -0.344778 0.127382 8C 2dyz 0.202810 -0.308714 -0.013460 -0.034689 -0.069688 0.048446 8C 2dx2y2 0.151039 -0.295184 0.073530 -0.016754 -0.239580 0.157733 8C 2dxy 0.121691 -0.083422 0.111757 0.109837 0.059705 -0.064809 8C 1f0 -0.061564 0.061265 -0.015065 0.012277 -0.077245 0.024873 8C 1f+1 0.000144 0.017679 0.001910 0.040539 0.012116 -0.037197 8C 1f-1 -0.031373 0.084930 -0.028185 -0.044208 0.061309 -0.008742 8C 1f+2 0.053219 -0.059657 0.028607 0.038412 0.015730 -0.034101 8C 1f-2 0.008645 -0.054465 0.005344 0.007985 0.007683 -0.004357 8C 1f+3 0.030298 -0.054278 0.017878 -0.009572 -0.082401 0.058618 8C 1f-3 -0.035199 0.034708 -0.004611 -0.062969 -0.064817 0.074795 9C 1s -0.002898 -0.001957 0.006889 0.001620 -0.001402 0.000854 9C 2s -0.002256 -0.005515 0.010546 0.010577 -0.008724 0.006426 9C 3s -0.046732 0.048256 0.105791 -0.168402 0.067343 -0.015515 9C 4s 0.476665 -0.037187 -1.426539 0.410036 0.037211 -0.193965 9C 5s -1.627656 0.390252 2.906484 0.068357 -0.077688 -0.756403 9C 1pz -0.028067 -0.032108 0.128083 0.047468 0.000061 0.006357 9C 1px -0.017231 -0.060409 0.071492 -0.181860 0.066675 -0.079047 9C 1py -0.065848 0.014750 0.075056 0.039143 -0.008676 -0.044260 9C 2pz -0.384402 -0.116016 0.899724 -0.311217 -0.072481 0.116619 9C 2px 0.034171 0.278139 -0.002527 0.429876 -0.179389 -0.083147 9C 2py -0.187525 -0.099954 0.631865 -0.207815 0.060910 0.113452 9C 3pz 0.292675 -0.022768 -0.440618 -0.030682 0.039530 0.192812 9C 3px 0.152108 -0.034195 -0.415567 -0.184960 0.081928 -0.151429 9C 3py 0.196762 -0.095025 -0.257438 -0.051055 0.070924 0.084563 9C 1dz2 -0.007373 0.001304 0.028675 0.002009 0.016212 -0.008418 9C 1dxz -0.029139 -0.037395 0.029185 -0.083256 0.062124 -0.006891 9C 1dyz -0.018267 -0.006232 0.022993 0.010005 -0.008743 -0.003723 9C 1dx2y2 0.002172 -0.007351 -0.003050 -0.001597 0.009445 0.024749 9C 1dxy -0.005850 -0.011714 -0.010440 -0.029758 0.021032 -0.017367 9C 2dz2 0.136652 0.052144 -0.319118 0.073448 0.013859 -0.102326 9C 2dxz 0.135499 -0.013076 -0.064068 0.055594 -0.139711 0.022469 9C 2dyz 0.110912 0.014218 -0.366392 0.092736 0.022308 0.034243 9C 2dx2y2 -0.017451 -0.069239 0.056619 0.041381 -0.025811 0.114462 9C 2dxy -0.032891 0.016267 -0.008492 0.036516 0.015426 0.066296 9C 1f0 0.021264 0.017841 -0.038712 0.004445 -0.006367 -0.046695 9C 1f+1 0.003267 0.004955 0.028196 -0.023968 0.013942 -0.016941 9C 1f-1 -0.021001 -0.020515 0.066316 0.008985 -0.026761 0.043320 9C 1f+2 -0.032568 -0.013221 0.044825 0.014274 -0.020787 0.018439 9C 1f-2 0.038404 0.021259 -0.073491 0.070846 -0.056504 0.040598 9C 1f+3 -0.062576 0.011291 0.093572 -0.009918 0.013289 -0.040846 9C 1f-3 -0.012063 0.005579 0.032655 -0.058059 0.050727 -0.056857 10H 1s 0.003578 -0.096360 -0.123388 0.108693 -0.117732 -0.169335 10H 2s 0.062112 0.437746 0.354572 0.086686 0.009327 0.230801 10H 3s -0.110767 0.103242 0.421472 0.000803 -0.051902 -0.133238 10H 1pz 0.092883 0.086156 0.108605 0.071821 0.010139 0.125237 10H 1px 0.006346 -0.058921 0.002893 0.034312 0.010657 -0.017628 10H 1py -0.045468 0.044210 0.009296 -0.013105 -0.015628 -0.040615 11H 1s -0.013988 -0.108436 -0.193464 -0.216975 0.146880 -0.024860 11H 2s -0.055958 0.128556 0.342477 0.226257 -0.154683 -0.287372 11H 3s -0.162911 -0.044896 -0.064210 -0.049639 -0.021359 -0.214142 11H 1pz -0.004178 -0.004152 0.030720 -0.025957 -0.000814 -0.003545 11H 1px -0.014046 0.012357 0.062655 0.109229 -0.057870 -0.192537 11H 1py -0.044742 0.032592 0.018168 0.052281 -0.059027 -0.037322 12H 1s 0.087542 -0.040246 -0.056971 -0.054933 0.106953 0.321182 12H 2s -0.242346 0.151134 0.291156 0.079144 -0.246527 -0.322124 12H 3s -0.026366 0.095040 0.190490 0.060237 -0.043212 0.094201 12H 1pz 0.007829 -0.020125 -0.013402 0.009514 -0.038028 -0.045266 12H 1px 0.034262 0.032022 0.121381 0.164956 -0.070388 -0.065595 12H 1py -0.074795 0.006841 0.015290 -0.070194 -0.041061 -0.035766 13H 1s -0.118274 -0.006698 -0.024068 -0.146377 -0.162604 -0.130316 13H 2s 0.448385 0.198238 0.037437 -0.071506 -0.107473 0.070485 13H 3s 0.317728 -0.195626 0.071032 -0.062048 -0.223811 -0.027884 13H 1pz 0.033191 0.027911 0.009981 0.012951 -0.165090 -0.002498 13H 1px 0.011227 -0.017637 -0.006490 0.039475 -0.017728 -0.013700 13H 1py -0.137183 -0.075099 0.036097 0.046800 -0.116249 -0.029181 14H 1s -0.094302 0.060174 -0.013079 0.107487 0.441126 0.144772 14H 2s 0.333656 -0.216712 0.157163 -0.064221 -0.121939 -0.246174 14H 3s 0.252219 -0.037118 0.090170 0.013706 0.188944 0.079590 14H 1pz -0.111679 -0.072373 0.054303 0.098678 -0.041484 0.007164 14H 1px 0.157212 -0.037581 0.023951 -0.051524 0.087122 -0.078850 14H 1py 0.012668 0.009549 -0.008185 0.057311 0.047306 0.034684 15H 1s -0.241413 -0.022918 -0.058537 0.177466 -0.188854 0.079945 15H 2s 0.429833 -0.059550 0.084958 -0.246493 -0.014566 -0.125350 15H 3s -0.148480 -0.072022 0.084465 0.064232 -0.325666 -0.021453 15H 1pz -0.020453 -0.004158 0.015295 0.003319 0.054079 0.011762 15H 1px 0.125997 0.000225 0.009785 -0.090194 -0.135073 -0.098466 15H 1py -0.045416 0.031968 -0.010814 0.044289 -0.039302 0.014148 16H 1s -0.153309 -0.125571 -0.031584 0.175022 -0.017136 0.008617 16H 2s 0.482246 0.358535 0.094234 -0.600922 0.057884 0.036658 16H 3s -0.192249 -0.182566 0.081033 0.205678 -0.020650 0.048699 16H 1pz 0.185216 0.096547 -0.005151 -0.225093 0.052530 0.102703 16H 1px -0.029171 -0.026986 -0.137077 0.103993 -0.010402 0.027836 16H 1py 0.065722 0.037457 -0.016279 -0.051530 -0.022829 -0.029595 17H 1s 0.030518 -0.070044 0.027664 -0.003566 0.053845 0.149938 17H 2s -0.127492 0.249779 -0.102207 -0.005815 -0.219463 -0.477274 17H 3s 0.017966 0.017472 -0.014414 0.023328 0.117018 0.218017 17H 1pz -0.005717 0.048781 0.012837 -0.001526 0.035749 0.008543 17H 1px 0.054480 -0.199493 0.069770 -0.040525 0.060346 0.143533 17H 1py -0.057216 -0.042912 0.019941 0.034662 -0.061770 -0.156113 18H 1s -0.086937 -0.018643 -0.019820 -0.004233 0.029806 -0.201809 18H 2s 0.318755 0.047758 0.078094 -0.002119 -0.149914 0.637970 18H 3s -0.006798 0.012183 0.020338 0.022573 0.084589 -0.288032 18H 1pz -0.037730 -0.014350 0.014158 0.001231 -0.047076 0.042168 18H 1px 0.214768 0.061891 0.056647 0.044548 -0.041247 0.197211 18H 1py 0.007440 0.069221 0.018027 -0.034574 0.041854 -0.173716 19H 1s -0.041838 -0.196699 0.053232 0.173558 -0.036587 0.011316 19H 2s 0.101458 0.600310 -0.159788 -0.597791 0.106482 -0.102095 19H 3s -0.074762 -0.264510 -0.053960 0.204978 -0.053443 -0.014931 19H 1pz -0.001232 -0.209392 0.015224 0.224027 -0.052774 0.130319 19H 1px 0.012225 0.033752 -0.147837 -0.102584 0.022589 0.017320 19H 1py 0.002870 -0.078318 -0.011946 0.054685 0.006886 -0.005064 20H 1s 0.092331 -0.216720 0.073045 0.178171 -0.189092 0.000904 20H 2s -0.257752 0.338028 -0.095238 -0.250892 0.011200 0.155644 20H 3s -0.001052 -0.167599 -0.064097 0.060774 -0.305386 0.088973 20H 1pz -0.005370 0.020183 0.015366 -0.002468 -0.046308 0.039243 20H 1px 0.059150 -0.112050 0.014877 0.093472 0.105320 -0.122493 20H 1py -0.050043 0.020742 -0.009862 -0.043635 0.038985 0.018118 21H 1s 0.098844 -0.055373 0.008242 0.114247 0.382578 -0.253846 21H 2s -0.352032 0.187456 -0.152699 -0.076965 -0.061744 0.213784 21H 3s -0.151431 0.192253 -0.097747 0.009712 0.156868 -0.148443 21H 1pz 0.015882 0.134062 0.043429 -0.097962 0.041478 0.010917 21H 1px 0.105588 -0.121856 0.029017 0.054931 -0.100425 -0.039078 21H 1py -0.001686 -0.015731 -0.006860 -0.056356 -0.037767 0.039371 22H 1s 0.050969 -0.105666 0.029559 -0.145963 -0.121755 0.155493 22H 2s -0.035105 0.483132 -0.073934 -0.077015 -0.137038 -0.057510 22H 3s -0.326067 0.187005 -0.065182 -0.069734 -0.198438 0.087120 22H 1pz -0.007448 -0.041842 0.013230 -0.010610 0.159716 -0.029257 22H 1px 0.021010 -0.004062 -0.008527 -0.038179 0.008922 -0.015331 22H 1py 0.005138 0.156617 0.022616 -0.046329 0.098397 -0.055472 23H 1s -0.070649 0.057776 0.065619 -0.064800 0.062103 -0.182694 23H 2s 0.226448 -0.156342 -0.295261 0.100134 -0.201712 0.367112 23H 3s 0.082819 0.011078 -0.182211 0.061288 -0.061635 -0.019053 23H 1pz 0.020878 0.003325 -0.013383 -0.007174 0.033930 -0.021787 23H 1px -0.003957 -0.038295 0.121872 -0.165397 0.064363 -0.107729 23H 1py -0.041062 0.063233 0.014311 0.062644 0.033347 -0.066955 24H 1s -0.074683 -0.048114 0.195300 -0.212553 0.159473 -0.072781 24H 2s 0.114492 -0.011859 -0.350044 0.217154 -0.126742 0.254763 24H 3s 0.039122 -0.148669 0.062776 -0.042930 0.014624 0.086173 24H 1pz 0.003902 0.009861 0.029060 0.032309 0.003891 -0.004208 24H 1px -0.012665 0.009023 0.065467 -0.109526 0.028812 -0.143842 24H 1py -0.048667 0.025206 0.018822 -0.057772 0.054717 -0.047250 25H 1s -0.079666 -0.033791 0.126875 0.106988 -0.093606 0.131170 25H 2s 0.330529 0.235149 -0.386461 0.094926 -0.041172 -0.247168 25H 3s 0.121204 -0.074145 -0.434805 0.011667 -0.037580 0.079885 25H 1pz -0.025962 -0.113398 0.115399 -0.068787 0.012060 0.097806 25H 1px 0.054924 0.019808 -0.002310 -0.033453 -0.017107 -0.045292 25H 1py -0.058953 0.017349 0.012673 0.005064 0.004574 -0.003322 26O 1s -0.001153 0.001389 0.006079 0.003520 -0.003082 -0.000714 26O 2s -0.004334 0.000964 0.017042 0.009345 -0.008942 -0.001174 26O 3s 0.031353 0.054054 -0.049939 -0.037796 0.048145 -0.018409 26O 4s -0.064882 -0.382015 -0.234780 -0.052399 -0.031059 0.233006 26O 5s 0.436596 0.139129 0.497850 0.504252 -0.479750 -0.600120 26O 1pz 0.044643 0.086045 0.152455 0.060025 -0.017842 -0.018685 26O 1px -0.022277 -0.020091 -0.035906 -0.027068 -0.000182 0.049293 26O 1py 0.019455 0.007429 0.032529 -0.005717 -0.016899 -0.083514 26O 2pz -0.038466 -0.054666 -0.152227 -0.081467 0.082224 0.063890 26O 2px -0.028575 0.118467 0.020779 -0.040998 0.089188 -0.103573 26O 2py 0.009051 0.040019 -0.047942 -0.053621 0.088970 0.095917 26O 3pz 0.076346 0.407897 0.963276 0.258049 -0.033353 0.027714 26O 3px -0.044466 0.065256 -0.278375 -0.064498 0.258342 0.175574 26O 3py -0.253765 0.238468 0.395617 0.043015 0.066136 -0.242614 26O 1dz2 0.006960 0.000672 0.009468 0.002600 -0.004992 0.001964 26O 1dxz 0.002315 0.000599 -0.003808 0.005638 -0.005824 0.001082 26O 1dyz -0.000349 0.008171 0.009421 0.013350 -0.003414 -0.005139 26O 1dx2y2 0.003765 -0.001499 -0.001204 -0.000043 0.000971 0.000785 26O 1dxy 0.003436 0.006434 -0.002192 0.007022 -0.004113 0.000720 26O 2dz2 0.068729 0.021043 0.163696 0.009482 -0.010070 0.048194 26O 2dxz -0.016411 -0.169925 -0.459374 0.048298 -0.138234 -0.166494 26O 2dyz -0.062046 0.086562 0.072386 0.183759 -0.077387 -0.155476 26O 2dx2y2 0.086556 0.058685 0.094313 0.046909 -0.024097 -0.070841 26O 2dxy 0.106352 0.021587 -0.133015 0.207463 -0.138708 -0.010457 26O 1f0 -0.003548 -0.002530 0.002213 -0.001078 0.001726 -0.001621 26O 1f+1 0.001223 -0.001087 0.006013 -0.001588 0.004682 0.006455 26O 1f-1 -0.001649 -0.002411 -0.002068 -0.006139 0.001825 0.003981 26O 1f+2 0.001641 0.001560 -0.000900 0.004657 -0.003101 -0.001869 26O 1f-2 0.002780 0.001851 -0.002257 -0.001138 0.005042 0.002528 26O 1f+3 0.003702 -0.003332 0.000909 -0.000883 0.003998 0.004937 26O 1f-3 -0.001890 -0.006077 0.006558 -0.004545 -0.000582 0.005842 27O 1s 0.006081 -0.000166 0.000163 -0.004244 -0.002418 -0.001271 27O 2s 0.016176 -0.002026 -0.000304 -0.011491 -0.003693 -0.003273 27O 3s -0.030271 0.027614 0.022458 0.037921 -0.051808 0.005894 27O 4s -0.341188 -0.108727 -0.147981 0.127154 0.433099 0.122845 27O 5s 0.635359 0.312012 -0.321675 -0.227189 -0.305385 -0.587467 27O 1pz 0.063799 -0.012520 -0.020184 -0.050735 -0.143222 -0.063048 27O 1px -0.062595 -0.038069 -0.001234 -0.007676 -0.000699 -0.000134 27O 1py -0.173337 0.004632 -0.010569 0.041597 -0.028439 0.033620 27O 2pz -0.071547 0.024616 0.003563 0.058480 0.188260 0.083978 27O 2px 0.073544 0.033951 0.120845 0.003637 -0.118028 0.009764 27O 2py 0.129205 -0.033263 -0.021203 -0.083494 -0.018504 -0.052814 27O 3pz 0.590897 -0.060176 0.040518 -0.127488 -0.448976 -0.110491 27O 3px -0.111832 0.067973 0.167786 -0.039360 -0.064211 0.006665 27O 3py -0.928914 0.057127 0.136136 0.224910 0.013150 0.076090 27O 1dz2 -0.001734 -0.003887 0.002924 0.007232 -0.001788 0.001256 27O 1dxz 0.002312 0.002764 0.001665 -0.003664 -0.003378 0.000641 27O 1dyz -0.014017 -0.001585 -0.001100 0.006294 0.007962 0.002510 27O 1dx2y2 -0.006064 0.004126 0.003009 0.003167 0.002747 -0.000855 27O 1dxy -0.004679 -0.007860 -0.000784 0.006994 0.010792 0.001211 27O 2dz2 -0.010459 -0.107146 0.073615 0.131969 -0.024331 0.084187 27O 2dxz -0.161350 0.083469 -0.013532 -0.011774 0.156369 -0.038963 27O 2dyz -0.321418 -0.019930 -0.013728 0.112064 0.048291 0.039735 27O 2dx2y2 0.024307 0.126681 -0.020032 0.039544 0.032885 -0.018484 27O 2dxy 0.335033 -0.156826 -0.019182 0.128406 0.230200 0.162570 27O 1f0 0.002468 -0.002563 0.002108 -0.005605 -0.003615 -0.002331 27O 1f+1 0.000795 -0.006446 -0.003147 0.003500 0.008192 0.004077 27O 1f-1 0.001881 0.001867 -0.001066 0.000954 -0.003592 0.000079 27O 1f+2 0.001596 0.000757 -0.001366 -0.003086 -0.003532 0.002694 27O 1f-2 -0.000747 -0.001482 -0.000836 -0.005633 -0.006402 -0.003610 27O 1f+3 -0.000208 -0.003544 -0.002787 0.004562 0.012233 0.003691 27O 1f-3 -0.000885 0.007334 -0.000756 -0.003565 -0.009603 -0.000772 28O 1s 0.000497 0.002127 0.005058 0.000184 -0.000620 -0.000465 28O 2s 0.002630 0.007002 0.013983 0.004511 -0.003010 -0.001693 28O 3s -0.021027 -0.030572 -0.026877 -0.098922 0.043705 0.034137 28O 4s 0.048001 -0.066440 -0.301387 0.447675 -0.181713 -0.281546 28O 5s -0.563255 0.161245 0.092415 -0.101683 -0.066354 0.106124 28O 1pz -0.006087 0.029296 0.069793 -0.018777 0.020047 -0.027912 28O 1px -0.031554 0.003985 0.042495 -0.119784 0.049877 0.022450 28O 1py 0.006573 0.053651 0.086819 -0.020369 0.037738 0.107187 28O 2pz 0.007801 -0.019214 -0.001540 -0.105566 -0.036656 0.075084 28O 2px 0.004951 -0.001242 -0.117790 0.246293 -0.088705 -0.103967 28O 2py -0.027686 -0.060958 -0.070236 0.008359 -0.042403 -0.111937 28O 3pz 0.588735 0.375767 0.403838 0.139693 0.388020 0.357761 28O 3px -0.281754 -0.133952 0.223769 -0.224702 0.018825 -0.059540 28O 3py 0.128682 0.422640 0.380620 0.021347 0.236681 0.287258 28O 1dz2 -0.000861 -0.004586 0.003455 -0.005605 0.002437 -0.000975 28O 1dxz 0.005671 0.003616 0.005984 0.007870 0.005457 0.004498 28O 1dyz -0.003615 -0.001349 0.005881 -0.008506 0.003257 0.000733 28O 1dx2y2 -0.000366 -0.003800 -0.003274 0.003005 -0.001403 -0.000032 28O 1dxy 0.001646 0.004108 0.003647 0.002189 -0.000447 0.003779 28O 2dz2 -0.067610 -0.095333 -0.180694 0.087790 -0.080789 0.089353 28O 2dxz 0.212671 0.170604 0.334658 0.220828 0.054508 0.057282 28O 2dyz -0.002632 -0.064704 -0.033949 0.002978 -0.020958 0.026572 28O 2dx2y2 -0.040302 -0.059252 0.073625 -0.123688 0.041527 0.037110 28O 2dxy -0.007182 0.172580 0.309920 0.009348 0.060824 0.096882 28O 1f0 0.001858 0.001820 0.003898 0.006718 -0.000946 0.002886 28O 1f+1 0.005687 0.009762 0.008029 0.014383 -0.002510 -0.001486 28O 1f-1 -0.001019 -0.000669 -0.004325 -0.001290 -0.003587 -0.003812 28O 1f+2 -0.001769 -0.005433 -0.005519 -0.017272 0.003182 0.002774 28O 1f-2 0.002734 0.003214 0.000718 0.007309 -0.003366 0.000766 28O 1f+3 -0.000767 0.000655 -0.000219 -0.002713 -0.001849 0.005426 28O 1f-3 0.000281 0.002689 0.004319 0.006104 -0.001430 -0.001068 29O 1s 0.001502 -0.006455 -0.000284 0.007743 0.001637 -0.002962 29O 2s 0.003191 -0.023028 -0.000747 0.026501 0.005459 -0.008114 29O 3s 0.026065 0.187958 -0.003886 -0.194633 -0.037972 0.013053 29O 4s -0.199789 -0.433624 0.034094 0.326881 0.023047 0.067393 29O 5s 0.131101 0.224602 -0.006752 0.203793 0.223007 0.099823 29O 1pz -0.117044 -0.073222 -0.069688 0.075256 -0.006505 -0.007407 29O 1px -0.019104 0.037925 0.027483 0.002872 -0.032599 -0.170501 29O 1py -0.005195 -0.034869 -0.006123 -0.010669 0.004913 0.055939 29O 2pz 0.342976 0.160800 0.082360 -0.320906 0.082640 0.172235 29O 2px 0.047985 -0.089528 -0.003434 0.009127 0.100546 0.294046 29O 2py 0.068250 0.114839 -0.024651 -0.053873 -0.034003 -0.131756 29O 3pz 0.028016 -0.086025 0.129400 0.050654 0.067380 0.086020 29O 3px -0.025168 -0.046166 0.063014 -0.146267 -0.140878 -0.210733 29O 3py -0.049974 0.100812 0.039356 -0.123883 -0.035554 0.025460 29O 1dz2 0.002326 -0.000065 0.001414 -0.004814 0.000839 0.004563 29O 1dxz -0.002621 0.004131 -0.004231 0.001394 -0.003081 -0.001422 29O 1dyz 0.002924 0.003233 0.000343 -0.004274 0.000442 0.003551 29O 1dx2y2 -0.001217 -0.001142 0.000410 0.003576 0.000432 -0.002348 29O 1dxy 0.002841 -0.004902 -0.002066 0.003228 0.001574 0.002084 29O 2dz2 0.034951 -0.078199 0.034198 -0.035082 0.022198 0.066351 29O 2dxz 0.002309 0.042210 -0.145444 0.053602 -0.032384 -0.012266 29O 2dyz -0.044257 0.112304 -0.040516 0.046760 -0.056521 -0.082654 29O 2dx2y2 -0.013501 0.118111 -0.039989 0.015114 0.046720 0.112083 29O 2dxy 0.030310 -0.077799 -0.083613 0.070258 0.014325 0.076747 29O 1f0 0.009239 0.010766 -0.000859 -0.014358 -0.000464 -0.004282 29O 1f+1 -0.001622 -0.006031 0.000391 0.002272 0.002570 0.004277 29O 1f-1 0.018672 0.012537 -0.000461 -0.022389 0.001668 0.000060 29O 1f+2 -0.005463 -0.004018 -0.000854 0.007935 -0.001817 -0.002627 29O 1f-2 -0.006958 0.007873 -0.003560 0.006479 -0.009128 -0.017555 29O 1f+3 0.003403 -0.000042 0.000712 -0.002442 0.002819 0.004292 29O 1f-3 0.003828 -0.000046 0.002932 -0.007185 0.004319 0.009154 30O 1s 0.006463 -0.001368 0.002192 -0.000952 0.002748 -0.001536 30O 2s 0.019147 -0.001490 0.006452 -0.006436 0.006196 -0.004833 30O 3s -0.065092 -0.030905 -0.034208 0.098940 0.006786 0.039087 30O 4s -0.226591 0.179832 0.022303 -0.406589 -0.261469 -0.220499 30O 5s 0.050790 -0.071850 0.583094 0.267515 0.305966 0.845945 30O 1pz 0.069014 0.015231 0.008052 0.024672 0.166125 0.026584 30O 1px 0.023765 -0.066648 0.030779 0.071899 0.103013 0.083803 30O 1py -0.077185 0.025126 -0.019566 -0.012739 0.011613 -0.019740 30O 2pz -0.022594 -0.045093 -0.062989 0.025722 -0.195363 -0.037580 30O 2px -0.082899 0.092528 0.021981 -0.169082 -0.144417 -0.084162 30O 2py 0.067511 0.026564 0.043925 0.008140 0.040157 0.023570 30O 3pz 0.550276 0.307930 0.039696 0.060745 0.459542 0.046181 30O 3px 0.169870 -0.274201 0.396501 0.129584 0.173046 0.366674 30O 3py -0.758894 -0.403182 0.199184 -0.131989 -0.326503 -0.034159 30O 1dz2 -0.005206 -0.000176 0.003802 -0.000723 -0.003200 -0.000630 30O 1dxz 0.005522 0.001044 0.002910 -0.000340 0.004222 0.002875 30O 1dyz 0.002918 0.010505 -0.004901 -0.006783 -0.011199 0.001126 30O 1dx2y2 -0.001052 0.006346 0.003283 -0.005562 -0.006949 0.005222 30O 1dxy -0.008942 -0.003773 -0.000295 -0.004146 -0.004659 -0.002900 30O 2dz2 -0.234215 0.027656 -0.027199 -0.070664 -0.230938 -0.068455 30O 2dxz 0.265873 0.109707 0.025099 -0.038944 0.028084 -0.003296 30O 2dyz 0.231993 0.068782 -0.066036 -0.011898 -0.085378 -0.086121 30O 2dx2y2 0.145144 -0.122185 0.087999 0.049766 -0.063927 0.057960 30O 2dxy -0.415124 -0.101374 0.073771 0.032832 -0.008776 0.017997 30O 1f0 0.008216 0.002633 -0.000694 -0.001617 0.001154 -0.000487 30O 1f+1 0.004755 0.002804 -0.000260 -0.001027 -0.001545 -0.001526 30O 1f-1 0.002430 0.002819 0.000966 -0.001612 0.005632 0.000226 30O 1f+2 0.004410 0.001199 0.000163 0.003588 0.012086 -0.000727 30O 1f-2 -0.012169 -0.009341 -0.000978 0.012062 0.004895 0.001216 30O 1f+3 0.006682 0.004520 -0.003096 -0.009203 -0.010186 -0.002172 30O 1f-3 -0.010760 -0.004700 -0.001805 0.005854 -0.002038 -0.002215 31O 1s -0.004358 0.004902 -0.002408 -0.000967 0.002640 0.000538 31O 2s -0.010621 0.015728 -0.007323 -0.006438 0.005923 0.001797 31O 3s 0.004472 -0.069749 0.040509 0.098175 0.003763 -0.021240 31O 4s 0.267792 -0.117022 -0.029343 -0.402236 -0.206207 0.190528 31O 5s -0.130352 0.012329 -0.558353 0.266715 0.133407 -0.879850 31O 1pz 0.018138 -0.067900 0.014917 -0.024917 -0.149931 0.073872 31O 1px 0.072551 0.011651 0.027180 -0.072150 -0.081138 0.092086 31O 1py -0.058638 0.054864 -0.020277 0.012209 -0.012124 0.002161 31O 2pz 0.027773 0.039880 -0.070019 -0.023762 0.177626 -0.108626 31O 2px -0.121100 0.028575 0.024817 0.168063 0.117167 -0.077284 31O 2py 0.009695 -0.071806 0.048271 -0.008797 -0.036714 0.035402 31O 3pz -0.019728 -0.618670 0.097928 -0.064494 -0.413842 0.132318 31O 3px 0.343738 -0.013969 0.378796 -0.131752 -0.088395 0.398487 31O 3py 0.015431 0.865714 0.128137 0.136281 0.288786 -0.032755 31O 1dz2 0.002137 -0.004886 -0.003506 -0.000642 -0.002806 0.001234 31O 1dxz -0.001709 0.005170 -0.003322 -0.000333 0.003497 -0.003407 31O 1dyz 0.008152 0.007786 0.003830 -0.006766 -0.011192 0.000070 31O 1dx2y2 0.005932 0.001829 -0.003602 -0.005445 -0.007554 -0.001803 31O 1dxy 0.000851 -0.009784 0.001022 -0.004186 -0.003774 0.003847 31O 2dz2 0.135579 -0.191648 0.037245 -0.068858 -0.201008 0.121712 31O 2dxz -0.026059 0.280892 -0.047400 -0.040631 0.023680 -0.002256 31O 2dyz -0.042879 0.239891 0.046509 -0.015323 -0.063618 0.093200 31O 2dx2y2 -0.180537 0.068510 -0.084333 0.048851 -0.062370 0.011469 31O 2dxy 0.098761 -0.418396 -0.046173 0.034456 -0.010308 -0.034743 31O 1f0 0.001436 -0.008711 -0.000117 0.001692 -0.001581 -0.001003 31O 1f+1 -0.000223 -0.005537 0.000133 0.001127 0.001258 -0.001178 31O 1f-1 -0.001358 -0.003358 0.001330 0.001609 -0.005157 0.002195 31O 1f+2 0.000939 -0.004414 0.000521 -0.003594 -0.011459 0.001931 31O 1f-2 0.002655 0.015164 -0.002370 -0.012107 -0.004670 -0.000189 31O 1f+3 -0.001086 -0.008187 -0.002409 0.009343 0.009420 -0.004780 31O 1f-3 -0.000874 0.011661 -0.002602 -0.005853 0.001821 -0.002015 32O 1s -0.006986 -0.002147 0.001107 0.007662 0.001897 0.002467 32O 2s -0.023836 -0.009571 0.003720 0.026210 0.005948 0.006199 32O 3s 0.168900 0.124442 -0.021435 -0.192326 -0.032612 0.006375 32O 4s -0.317453 -0.409168 0.025248 0.322021 -0.005221 -0.123303 32O 5s 0.129554 0.221193 -0.013112 0.205584 0.205541 -0.076250 32O 1pz 0.005380 0.130892 -0.081227 -0.073309 0.016447 -0.043947 32O 1px -0.044477 -0.004094 0.031332 -0.004006 -0.002370 -0.185742 32O 1py 0.029188 0.026395 -0.011860 0.008655 0.008874 0.062574 32O 2pz 0.031922 -0.362901 0.113885 0.317595 -0.093249 0.284503 32O 2px 0.114318 0.014330 -0.013420 -0.008716 -0.050210 0.345491 32O 2py -0.077791 -0.134736 -0.004666 0.060873 0.003053 -0.152395 32O 3pz 0.091993 0.026112 0.123521 -0.051236 -0.043927 0.053385 32O 3px 0.021338 0.043547 0.065546 0.143945 0.097182 -0.207786 32O 3py -0.117519 -0.005229 0.046940 0.121428 0.035842 0.005157 32O 1dz2 -0.001194 0.001705 -0.001660 -0.004645 0.000193 -0.005173 32O 1dxz 0.005324 0.000050 0.003976 0.001454 -0.003238 0.002118 32O 1dyz 0.001333 0.004051 -0.000739 -0.004318 0.000411 -0.004601 32O 1dx2y2 -0.000671 -0.001874 -0.000143 0.003647 0.000748 0.002617 32O 1dxy -0.005822 0.000156 0.002461 0.003204 0.001313 -0.002907 32O 2dz2 -0.088020 -0.008711 -0.032760 -0.038778 0.008945 -0.067276 32O 2dxz 0.038072 0.031307 0.145398 0.050586 -0.030228 0.015831 32O 2dyz 0.119629 0.019762 0.038416 0.049437 -0.040982 0.090162 32O 2dx2y2 0.111890 0.049008 0.030700 0.014260 0.026437 -0.096763 32O 2dxy -0.081629 -0.004392 0.094137 0.068336 -0.006045 -0.080025 32O 1f0 -0.005798 -0.012770 0.000777 0.013015 -0.001067 -0.005407 32O 1f+1 0.005577 0.005064 -0.000229 -0.002317 -0.002047 0.006599 32O 1f-1 -0.003099 -0.023334 0.001928 0.022701 -0.003523 0.001305 32O 1f+2 0.001394 0.007525 -0.001559 -0.008379 0.001939 -0.002689 32O 1f-2 -0.011394 0.001602 -0.003126 -0.007098 0.007448 -0.024607 32O 1f+3 0.001528 -0.002567 0.000589 0.002130 -0.002304 0.004838 32O 1f-3 0.002327 -0.002895 0.003062 0.007449 -0.003448 0.012143 33O 1s 0.001269 0.000873 -0.005197 0.000158 -0.000554 0.001305 33O 2s 0.003853 0.004038 -0.014499 0.004425 -0.002818 0.003445 33O 3s -0.013734 -0.029483 0.029753 -0.098146 0.039905 -0.027348 33O 4s -0.066266 0.037942 0.303930 0.444560 -0.148526 0.173106 33O 5s 0.418085 -0.391002 -0.104817 -0.102935 -0.071242 -0.072920 33O 1pz -0.025656 -0.003534 0.071424 0.017993 -0.023316 -0.013969 33O 1px -0.017700 0.030595 0.045024 0.119441 -0.045774 0.033592 33O 1py -0.041273 -0.022764 0.087306 0.020403 -0.020441 0.040831 33O 2pz 0.023519 0.007411 -0.000716 0.104579 0.048071 0.050262 33O 2px -0.003138 -0.018184 -0.118870 -0.245661 0.075749 -0.083694 33O 2py 0.039236 0.047261 -0.070703 -0.009233 0.025182 -0.038145 33O 3pz -0.025379 -0.644577 0.437586 -0.135042 -0.341912 0.242983 33O 3px -0.014595 0.307436 0.216949 0.223687 -0.038896 0.000842 33O 3py -0.292426 -0.278142 0.404896 -0.022983 -0.203668 0.139524 33O 1dz2 -0.003711 -0.003244 -0.003001 -0.005649 0.002689 0.003325 33O 1dxz 0.000243 0.006464 -0.006141 0.007908 0.004789 -0.004632 33O 1dyz 0.000373 -0.004361 -0.005523 -0.008489 0.003216 0.002211 33O 1dx2y2 -0.003107 -0.001831 0.003473 0.002907 -0.001282 -0.000394 33O 1dxy 0.002614 0.003248 -0.003821 0.002214 -0.000892 -0.002506 33O 2dz2 -0.044918 -0.089929 0.195635 0.082926 -0.088804 -0.012917 33O 2dxz 0.030056 0.242478 -0.345205 0.224581 0.045534 -0.034476 33O 2dyz -0.054887 -0.028756 0.037167 -0.000056 -0.019720 -0.021345 33O 2dx2y2 -0.034027 -0.068906 -0.071429 -0.124306 0.037786 -0.018841 33O 2dxy 0.139784 0.052343 -0.317103 0.015431 0.049771 -0.040281 33O 1f0 -0.000515 -0.002342 0.003918 -0.006770 0.001508 0.000655 33O 1f+1 -0.005460 -0.009216 0.008844 -0.014452 0.002520 0.000377 33O 1f-1 0.000081 0.001020 -0.003976 0.001270 0.003165 -0.000124 33O 1f+2 0.003602 0.004037 -0.005935 0.017471 -0.002801 0.000991 33O 1f-2 -0.001472 -0.003934 0.001081 -0.007436 0.003774 0.001561 33O 1f+3 -0.000877 0.000611 -0.000360 0.002887 0.002832 0.002294 33O 1f-3 -0.001940 -0.001387 0.004590 -0.006405 0.001287 -0.000245 34O 1s -0.002956 0.005304 -0.000438 -0.004328 -0.002108 0.001562 34O 2s -0.009219 0.013426 -0.000298 -0.011711 -0.002902 0.003700 34O 3s 0.037120 -0.015373 -0.023440 0.038370 -0.051841 0.001257 34O 4s 0.070411 -0.345339 0.173881 0.132954 0.388874 -0.182073 34O 5s -0.031600 0.727039 0.281523 -0.259478 -0.160251 0.705840 34O 1pz 0.040834 -0.051869 -0.019515 0.052509 0.120137 -0.111607 34O 1px 0.004150 0.074300 -0.007201 0.007124 0.002762 0.005371 34O 1py -0.084954 0.149029 -0.019524 -0.044008 0.033062 0.029494 34O 2pz -0.056124 0.052397 0.003703 -0.060929 -0.159983 0.130379 34O 2px 0.007284 -0.075209 0.130212 -0.004965 0.114297 0.012405 34O 2py 0.089472 -0.098846 -0.018262 0.087158 0.006559 -0.070804 34O 3pz 0.332660 -0.497057 0.054243 0.140451 0.381457 -0.282667 34O 3px -0.116381 0.071148 0.168687 0.025209 0.056493 0.002115 34O 3py -0.478457 0.806211 0.096741 -0.243565 0.021864 0.118134 34O 1dz2 -0.002867 -0.003517 -0.002443 0.007273 -0.001810 -0.000520 34O 1dxz 0.001340 0.003201 -0.002022 -0.003640 -0.003642 0.000229 34O 1dyz 0.005242 -0.012988 0.001873 0.006512 0.007259 -0.003738 34O 1dx2y2 0.006372 -0.003569 -0.003162 0.003281 0.002781 -0.000742 34O 1dxy -0.004768 -0.007735 0.001607 0.006989 0.010567 -0.002493 34O 2dz2 -0.093333 -0.064181 -0.062861 0.133611 -0.041281 -0.063392 34O 2dxz 0.150900 -0.104729 0.012243 -0.009477 0.148714 -0.042607 34O 2dyz 0.133332 -0.291992 0.029765 0.117868 0.033615 -0.041386 34O 2dx2y2 0.099241 0.082190 0.008140 0.037992 0.033418 0.017754 34O 2dxy -0.292841 0.225032 0.013546 0.126046 0.186490 -0.184070 34O 1f0 0.003464 -0.000840 0.002066 0.005666 0.003063 -0.002448 34O 1f+1 0.006034 0.002170 -0.003760 -0.003365 -0.007196 0.003816 34O 1f-1 -0.000789 -0.002612 -0.000853 -0.000915 0.003549 -0.000377 34O 1f+2 0.000119 -0.001736 -0.001260 0.003067 0.004006 0.001404 34O 1f-2 0.000897 0.001299 -0.000967 0.005685 0.005566 -0.004460 34O 1f+3 0.002891 0.001655 -0.003100 -0.004647 -0.011184 0.004917 34O 1f-3 -0.006965 -0.002596 -0.000104 0.003562 0.009380 -0.001431 35O 1s 0.001380 -0.000844 -0.006135 0.003632 -0.003322 0.000692 35O 2s 0.001804 -0.004750 -0.016894 0.009652 -0.009679 0.002282 35O 3s 0.036225 0.057527 0.043337 -0.038255 0.052455 -0.009213 35O 4s -0.293290 -0.222308 0.274556 -0.061561 -0.049004 -0.096917 35O 5s -0.097251 0.442654 -0.534934 0.513797 -0.353721 0.589694 35O 1pz -0.046476 -0.068045 0.159613 -0.061843 0.015954 -0.030315 35O 1px 0.006102 0.028819 -0.039091 0.029351 0.008704 0.029456 35O 1py 0.003744 -0.018326 0.038456 0.003616 0.004775 -0.035204 35O 2pz 0.022052 0.048949 -0.159500 0.083033 -0.075669 0.061175 35O 2px -0.116374 -0.028550 0.031313 0.037167 -0.095248 -0.034494 35O 2py -0.032777 -0.028529 -0.048249 0.055867 -0.069651 0.067925 35O 3pz -0.269988 -0.192368 1.002810 -0.282222 0.067943 -0.029642 35O 3px -0.081392 0.004012 -0.275965 0.070517 -0.210581 0.158001 35O 3py -0.301453 0.140182 0.419056 -0.061816 -0.085528 -0.110431 35O 1dz2 -0.003275 0.005745 -0.009848 0.002594 -0.005559 -0.001079 35O 1dxz -0.000521 0.002591 0.003798 0.005415 -0.006292 -0.002252 35O 1dyz 0.006738 0.002977 -0.010074 0.013591 -0.002897 0.001597 35O 1dx2y2 -0.002971 0.002757 0.001180 -0.000133 0.000657 -0.000267 35O 1dxy 0.004160 0.006294 0.001722 0.006973 -0.004533 -0.000944 35O 2dz2 -0.024137 0.056490 -0.170262 0.010186 -0.025982 -0.032411 35O 2dxz -0.120608 -0.059943 0.471286 0.039035 -0.109573 0.116523 35O 2dyz 0.100349 -0.014653 -0.078941 0.189565 -0.058045 0.106796 35O 2dx2y2 0.007802 0.101331 -0.106116 0.049879 -0.013862 0.018871 35O 2dxy -0.023743 0.117019 0.135444 0.203802 -0.135625 0.071051 35O 1f0 0.000646 0.004517 0.001894 0.001045 -0.001943 -0.002340 35O 1f+1 0.001769 -0.000072 0.005905 0.001637 -0.004114 0.003772 35O 1f-1 0.001214 0.002450 -0.002569 0.006176 -0.001657 0.000466 35O 1f+2 -0.000622 -0.002245 -0.000649 -0.004620 0.002689 -0.000027 35O 1f-2 -0.000452 -0.003597 -0.002128 0.001036 -0.004720 0.003335 35O 1f+3 0.004601 -0.001633 0.000743 0.000955 -0.003313 0.004715 35O 1f-3 0.004725 0.005027 0.006090 0.004415 0.001040 0.002611 420 421 422 423 424 425 2.31458 2.31855 2.33702 2.33861 2.34620 2.35324 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s -0.000763 -0.000201 0.000252 -0.001008 0.000082 -0.000265 0Rh 2s 0.006873 0.001417 -0.001223 0.008067 -0.000613 0.001698 0Rh 3s -0.000306 -0.000323 0.000742 -0.001028 0.000110 -0.000530 0Rh 4s -0.035305 -0.007172 0.006185 -0.041569 0.003096 -0.008673 0Rh 5s 0.073221 0.012191 -0.008311 0.085068 -0.005106 0.015064 0Rh 6s -0.082971 -0.000860 -0.008573 -0.101631 -0.001488 -0.005993 0Rh 7s 0.683551 -0.047587 0.123334 1.097417 0.038510 0.054150 0Rh 8s -0.394160 -0.023079 -0.000285 -0.468942 0.147518 -0.051333 0Rh 1pz -0.005646 -0.001311 -0.000319 -0.004469 0.000980 0.001630 0Rh 1px 0.001889 -0.001189 -0.000661 0.005797 0.000304 -0.000084 0Rh 1py -0.006221 0.001037 0.001396 0.001668 0.000072 0.002542 0Rh 2pz 0.019345 0.004952 0.000385 0.015658 -0.003309 -0.005746 0Rh 2px -0.006296 0.004246 0.002081 -0.020087 -0.001138 0.000382 0Rh 2py 0.022160 -0.003099 -0.004406 -0.006041 0.000365 -0.009033 0Rh 3pz -0.000535 -0.010174 0.015815 -0.007561 -0.001063 0.003502 0Rh 3px -0.003902 -0.003708 0.004144 0.004810 0.002237 -0.002130 0Rh 3py -0.018637 -0.010083 -0.008430 0.006947 -0.013808 0.007137 0Rh 4pz -0.129586 0.007927 -0.070494 -0.078536 0.028129 0.025599 0Rh 4px 0.062002 -0.014419 -0.032479 0.123763 -0.001888 0.006795 0Rh 4py -0.077198 0.065153 0.067628 0.015779 0.057925 0.032772 0Rh 5pz 0.227735 -0.016340 0.142896 0.155486 -0.056915 -0.047599 0Rh 5px -0.137066 0.025080 0.062766 -0.265498 0.006059 -0.017638 0Rh 5py 0.141882 -0.131387 -0.137943 -0.046446 -0.124791 -0.057557 0Rh 6pz 0.260649 0.311971 -0.041974 -0.194957 0.007404 -0.019283 0Rh 6px 0.541448 0.194423 0.041610 0.696444 -0.037861 0.098587 0Rh 6py 0.298551 0.121834 0.071490 0.218782 0.065731 -0.096033 0Rh 1dz2 0.001705 0.004569 -0.001774 -0.001950 -0.011784 0.006066 0Rh 1dxz 0.008996 0.004433 0.007685 -0.002716 -0.008384 0.000858 0Rh 1dyz -0.001819 -0.011503 -0.007788 -0.000141 0.010855 0.005756 0Rh 1dx2y2 -0.005710 0.003132 0.005429 0.005509 -0.005165 0.006293 0Rh 1dxy 0.004887 -0.006492 -0.007405 -0.000476 -0.008176 0.001333 0Rh 2dz2 0.000403 0.001877 -0.000179 0.000669 0.001279 0.003162 0Rh 2dxz 0.001426 -0.001794 0.000539 0.002155 0.000451 0.001108 0Rh 2dyz -0.002334 0.007671 0.003686 -0.001189 -0.001146 0.000415 0Rh 2dx2y2 0.001094 0.001346 0.001369 -0.003678 0.000513 0.001225 0Rh 2dxy -0.000111 0.001998 0.000022 -0.001616 -0.001831 0.000480 0Rh 3dz2 -0.006135 -0.021157 0.005287 0.002530 0.026733 -0.030308 0Rh 3dxz -0.030452 -0.004142 -0.023201 -0.001957 0.020924 -0.007133 0Rh 3dyz 0.015266 -0.003538 0.004351 0.005836 -0.024508 -0.017697 0Rh 3dx2y2 0.010571 -0.014770 -0.021024 0.000950 0.012059 -0.022532 0Rh 3dxy -0.012799 0.008384 0.019799 0.008400 0.030464 -0.005769 0Rh 4dz2 0.000788 0.033275 0.003301 0.006325 0.015298 0.040188 0Rh 4dxz 0.014719 -0.026152 0.004551 0.027864 0.006557 0.013845 0Rh 4dyz -0.032493 0.122367 0.062253 -0.019828 -0.017755 0.006923 0Rh 4dx2y2 0.018576 0.023999 0.022167 -0.047471 0.003355 0.015023 0Rh 4dxy -0.001029 0.035705 0.006344 -0.021854 -0.025173 0.006331 0Rh 5dz2 0.057411 -0.156490 -0.081635 0.017278 -0.088214 -0.064833 0Rh 5dxz 0.056169 0.130420 0.050162 -0.058170 -0.063589 -0.026240 0Rh 5dyz 0.092565 -0.587640 -0.368111 0.090947 0.121193 0.017464 0Rh 5dx2y2 -0.158734 -0.116794 -0.084431 0.107268 0.000585 -0.000131 0Rh 5dxy -0.000674 -0.215691 -0.118302 0.043748 0.031642 -0.005677 0Rh 1f0 0.046311 -0.003653 0.049599 0.112725 -0.002245 0.016367 0Rh 1f+1 -0.063961 0.025362 0.004543 -0.060673 0.004777 -0.036226 0Rh 1f-1 0.139896 -0.020692 -0.001595 0.043041 0.064165 -0.034239 0Rh 1f+2 -0.212563 -0.069673 0.024255 -0.129088 -0.011316 -0.000033 0Rh 1f-2 0.012306 0.076133 0.099114 -0.032873 0.016816 -0.050810 0Rh 1f+3 -0.068353 -0.024990 -0.060952 -0.125782 -0.033828 0.004112 0Rh 1f-3 -0.031223 -0.012062 -0.026499 -0.103664 0.043118 -0.003408 1Rh 1s -0.000195 0.000260 -0.000376 -0.000936 -0.000151 -0.000260 1Rh 2s 0.002294 -0.001852 0.002267 0.007617 0.001095 0.001648 1Rh 3s 0.000250 0.000403 -0.000835 -0.000881 -0.000225 -0.000529 1Rh 4s -0.011931 0.009398 -0.011567 -0.039278 -0.005571 -0.008417 1Rh 5s 0.028724 -0.016401 0.019590 0.081192 0.009796 0.014560 1Rh 6s -0.054241 0.004046 -0.005956 -0.100891 -0.002596 -0.005663 1Rh 7s 0.605520 0.023827 0.032044 1.101761 0.007963 0.053072 1Rh 8s -0.128965 0.036764 -0.064717 -0.448396 -0.169836 -0.043525 1Rh 1pz 0.007519 -0.001189 0.000400 0.004504 0.000865 -0.001661 1Rh 1px -0.008384 -0.000659 -0.001470 -0.005799 0.000107 -0.000010 1Rh 1py 0.004998 0.000332 0.001146 -0.001932 -0.000432 -0.002533 1Rh 2pz -0.026408 0.004497 -0.002125 -0.015665 -0.002894 0.005823 1Rh 2px 0.029767 0.002372 0.004886 0.020164 -0.000459 -0.000045 1Rh 2py -0.017609 -0.000612 -0.003503 0.006864 0.002148 0.008966 1Rh 3pz 0.014813 -0.009384 0.016838 0.005044 -0.001518 -0.002904 1Rh 3px -0.022866 -0.002485 0.003470 -0.006335 0.002173 0.001818 1Rh 3py 0.010693 -0.011701 -0.009395 -0.005141 -0.015038 -0.006331 1Rh 4pz 0.119339 0.008094 -0.057124 0.089407 0.027179 -0.028793 1Rh 4px -0.115484 -0.006315 -0.049706 -0.117803 -0.006571 -0.007897 1Rh 4py 0.078570 0.054601 0.064852 -0.029454 0.050634 -0.035769 1Rh 5pz -0.205583 -0.018516 0.116619 -0.177601 -0.055766 0.054539 1Rh 5px 0.237970 0.008983 0.099508 0.253428 0.016691 0.019859 1Rh 5py -0.146105 -0.112284 -0.129621 0.074445 -0.111404 0.063852 1Rh 6pz -0.325930 0.342133 -0.011334 0.211537 0.025895 0.010874 1Rh 6px -0.357920 0.212768 -0.054105 -0.683129 -0.073246 -0.097383 1Rh 6py -0.157278 0.151330 0.034927 -0.233165 0.079495 0.088505 1Rh 1dz2 -0.002144 -0.005121 0.001309 -0.002827 0.011940 0.005606 1Rh 1dxz 0.000482 -0.004031 -0.007928 -0.001841 0.008248 0.000160 1Rh 1dyz -0.000384 0.011291 0.007296 -0.001487 -0.010033 0.005693 1Rh 1dx2y2 0.002995 -0.002410 -0.004787 0.006553 0.006029 0.006148 1Rh 1dxy 0.008639 0.005409 0.007311 -0.001959 0.008070 0.000712 1Rh 2dz2 0.001651 -0.001949 0.000151 0.000760 -0.000922 0.003242 1Rh 2dxz 0.002655 0.001648 -0.000260 0.002300 -0.000312 0.001116 1Rh 2dyz -0.002829 -0.007236 -0.003888 -0.000483 0.001322 0.000398 1Rh 2dx2y2 -0.001460 -0.001414 -0.001901 -0.003459 -0.000578 0.001212 1Rh 2dxy -0.001214 -0.001897 -0.000281 -0.001641 0.001835 0.000377 1Rh 3dz2 -0.001186 0.022940 -0.003877 0.004454 -0.028718 -0.029411 1Rh 3dxz -0.012880 0.003681 0.022654 -0.004968 -0.021154 -0.005262 1Rh 3dyz 0.013695 0.002170 -0.002090 0.006260 0.021466 -0.017477 1Rh 3dx2y2 -0.001588 0.013092 0.021582 -0.002877 -0.014142 -0.022065 1Rh 3dxy -0.017999 -0.005898 -0.018403 0.012498 -0.030204 -0.003623 1Rh 4dz2 0.019004 -0.033711 -0.003982 0.008806 -0.010598 0.041472 1Rh 4dxz 0.035836 0.024233 -0.000965 0.029562 -0.004776 0.014060 1Rh 4dyz -0.041951 -0.115924 -0.065499 -0.007637 0.020427 0.007147 1Rh 4dx2y2 -0.022671 -0.024785 -0.028961 -0.044204 -0.004209 0.014704 1Rh 4dxy -0.019382 -0.034031 -0.009856 -0.021082 0.025362 0.005096 1Rh 5dz2 -0.036002 0.150968 0.086861 -0.008799 0.076735 -0.073906 1Rh 5dxz -0.103358 -0.123968 -0.056734 -0.057309 0.059786 -0.031900 1Rh 5dyz 0.157819 0.563550 0.378909 0.017054 -0.126359 0.009541 1Rh 5dx2y2 0.092319 0.123401 0.098479 0.099161 0.004327 0.000984 1Rh 5dxy 0.113522 0.204244 0.125671 0.022454 -0.034433 -0.007685 1Rh 1f0 0.012599 0.001211 0.031730 -0.115606 -0.004656 -0.016400 1Rh 1f+1 0.010796 0.018125 0.011300 0.057032 0.011741 0.031838 1Rh 1f-1 -0.168065 -0.005070 -0.011222 -0.041891 0.069683 0.030948 1Rh 1f+2 0.138258 -0.070673 0.040554 0.122639 -0.004993 0.002138 1Rh 1f-2 -0.028201 0.079083 0.100248 0.012068 0.025590 0.047198 1Rh 1f+3 -0.032675 -0.025890 -0.042779 0.133622 -0.029456 -0.004023 1Rh 1f-3 -0.022852 -0.007452 -0.011544 0.103987 0.047839 0.001572 2C 1s 0.002209 -0.000863 -0.001003 0.003793 0.001701 0.002833 2C 2s 0.008309 0.003673 -0.002540 0.014764 0.008231 0.007277 2C 3s -0.051841 0.000197 -0.009214 -0.008788 -0.010355 -0.070205 2C 4s -0.008554 -0.176320 0.212403 -0.639469 -0.376696 0.041162 2C 5s -0.725264 -0.563738 -0.352143 -0.441008 -0.417323 -0.065014 2C 1pz -0.063395 0.047559 -0.054719 0.082041 0.076566 0.009842 2C 1px 0.030433 0.110318 0.002348 0.064440 0.087372 0.023417 2C 1py 0.096164 -0.026839 0.109635 -0.091130 -0.112742 -0.115633 2C 2pz 0.224920 -0.069169 0.238888 -0.675134 -0.437477 0.171943 2C 2px -0.116398 -0.057274 -0.070550 -0.163236 -0.070901 0.170899 2C 2py -0.547196 0.099704 -0.061061 -0.070658 0.133750 -0.438051 2C 3pz -0.068406 -0.135779 -0.081700 -0.061985 -0.067130 0.079051 2C 3px 0.035884 0.068695 -0.078868 0.210251 0.166026 0.059450 2C 3py -0.150409 -0.096141 0.055681 -0.108638 -0.153188 -0.214179 2C 1dz2 0.101836 -0.026503 0.024138 -0.036944 -0.056372 0.062108 2C 1dxz -0.006827 -0.058913 0.003540 -0.064527 -0.051105 0.056736 2C 1dyz -0.011891 -0.004252 0.001491 0.015113 0.009012 -0.024707 2C 1dx2y2 0.081072 0.014468 0.037734 -0.048052 -0.050444 0.031747 2C 1dxy -0.108637 -0.005690 -0.056822 0.032888 0.056616 0.021650 2C 2dz2 -0.229782 -0.012087 -0.150252 0.025194 0.177479 0.196949 2C 2dxz 0.006447 0.126339 0.091344 0.056432 -0.003066 -0.442325 2C 2dyz -0.065630 0.017169 0.126780 -0.255135 -0.154010 -0.153006 2C 2dx2y2 -0.247452 0.101080 -0.160659 0.198634 0.319252 0.093368 2C 2dxy 0.330329 0.153121 -0.039076 -0.019373 0.007436 0.496775 2C 1f0 0.118964 -0.000462 0.072845 -0.069686 -0.079736 -0.012075 2C 1f+1 -0.030667 0.040207 -0.061274 0.064526 0.087924 0.086063 2C 1f-1 -0.028023 -0.034309 -0.012130 -0.025396 -0.012894 0.017257 2C 1f+2 0.010086 -0.009719 -0.013549 -0.008968 -0.011235 0.044560 2C 1f-2 -0.000578 -0.083297 0.020747 -0.082694 -0.080663 -0.016412 2C 1f+3 0.052574 0.029042 0.064138 -0.045061 -0.055332 -0.076994 2C 1f-3 0.003745 0.074127 -0.007846 0.060036 0.065888 -0.000605 3C 1s 0.001231 -0.001594 -0.001672 0.004943 -0.001920 -0.003117 3C 2s 0.004529 -0.007312 -0.011989 0.019124 -0.009040 -0.007596 3C 3s -0.007427 0.088002 0.011455 -0.057939 0.059566 0.105020 3C 4s -0.200640 -0.185144 0.516318 -0.601480 0.109356 -0.262478 3C 5s 0.059032 0.809525 1.179400 -0.789296 0.388549 0.158143 3C 1pz -0.027494 -0.015234 0.129086 -0.137982 0.112716 0.085300 3C 1px -0.012507 -0.066763 -0.045494 0.008412 0.009145 0.046467 3C 1py -0.023185 -0.057259 0.119880 -0.085842 0.061526 -0.014437 3C 2pz 0.114090 0.163559 0.047063 -0.216787 0.036990 0.394595 3C 2px 0.022131 0.006717 0.095591 -0.139084 -0.000917 0.056896 3C 2py 0.325650 0.150038 -0.375643 0.574944 -0.122502 0.356373 3C 3pz 0.005280 0.124056 0.361131 -0.330942 0.220079 0.169684 3C 3px 0.095261 0.004952 -0.026790 0.025536 0.019151 0.111226 3C 3py 0.007784 -0.124644 -0.163974 0.040953 0.012786 0.063547 3C 1dz2 0.026236 -0.010522 -0.026978 0.004444 0.007127 0.070514 3C 1dxz 0.042464 0.064458 0.006545 0.027074 -0.031583 0.019399 3C 1dyz -0.027287 -0.004069 0.028072 -0.024527 0.008546 -0.034715 3C 1dx2y2 0.041484 0.043622 -0.048463 0.032316 -0.036186 0.065082 3C 1dxy 0.010241 -0.003525 -0.052838 0.019240 -0.011484 0.030194 3C 2dz2 0.079474 0.026436 0.309372 -0.235224 0.295217 0.426525 3C 2dxz -0.131232 -0.127493 0.056386 -0.170416 0.173974 -0.068260 3C 2dyz 0.134894 0.015426 -0.117772 0.114835 0.017347 0.245074 3C 2dx2y2 -0.096689 -0.184093 -0.100720 0.135601 0.002674 -0.256441 3C 2dxy -0.041120 0.128886 -0.014637 0.176744 -0.151918 -0.336556 3C 1f0 0.027792 0.037834 -0.081242 0.097205 -0.084133 -0.050772 3C 1f+1 0.005430 -0.043613 -0.059889 0.040675 -0.015556 0.020138 3C 1f-1 -0.046713 -0.036478 0.088826 -0.066628 0.058000 -0.039817 3C 1f+2 0.008760 -0.032439 -0.080955 0.061185 -0.035643 0.016311 3C 1f-2 -0.003041 0.015017 -0.023011 0.020024 -0.019179 -0.023523 3C 1f+3 0.019397 0.060605 -0.048400 0.063508 -0.084229 -0.065533 3C 1f-3 0.022957 0.069857 0.088722 -0.049060 0.025708 0.023778 4C 1s 0.002751 0.002054 -0.003006 0.006959 0.005306 -0.000407 4C 2s 0.009742 0.009592 -0.009572 0.025079 0.019319 -0.003717 4C 3s -0.075134 -0.168787 0.054454 -0.258323 -0.137357 0.070005 4C 4s -0.101416 0.547750 -0.012933 0.374868 0.061509 -0.001990 4C 5s 0.338584 0.838757 0.219382 0.279518 -0.014560 0.140255 4C 1pz 0.004475 -0.061349 0.007389 -0.048078 -0.044106 0.047554 4C 1px -0.089561 -0.088347 -0.014505 -0.047295 -0.036902 -0.005285 4C 1py -0.077993 -0.049198 -0.034043 -0.005023 -0.002892 0.027998 4C 2pz -0.139552 0.121410 0.224355 -0.373683 -0.211504 -0.192406 4C 2px 0.300396 0.277829 -0.120906 0.069793 -0.048949 0.008088 4C 2py 0.074854 0.171404 0.108914 -0.228667 -0.111917 0.008789 4C 3pz -0.083174 -0.085310 -0.153379 0.160058 -0.207330 -0.035121 4C 3px 0.177500 0.222737 0.106323 -0.060183 -0.159714 -0.071592 4C 3py -0.098172 0.106501 -0.196743 0.299533 0.044591 0.031448 4C 1dz2 -0.026623 -0.021029 0.033941 -0.028884 -0.039345 -0.078899 4C 1dxz -0.011078 -0.052374 0.027584 -0.032102 -0.030911 -0.029163 4C 1dyz 0.021222 -0.036204 -0.020459 -0.010553 0.003010 0.064008 4C 1dx2y2 0.001177 0.020773 0.027749 0.015877 0.017541 -0.080123 4C 1dxy -0.010029 0.003967 -0.003403 0.017710 -0.002296 -0.000522 4C 2dz2 0.027407 -0.080918 -0.132699 0.327236 0.297404 0.263681 4C 2dxz 0.416481 0.152121 -0.108656 0.271117 0.077102 0.197470 4C 2dyz 0.183684 0.128967 -0.031090 0.405961 0.146391 -0.027272 4C 2dx2y2 0.145878 0.021269 0.166843 -0.421692 -0.378259 0.044589 4C 2dxy -0.125864 0.114060 -0.122392 0.190841 0.145523 -0.178053 4C 1f0 0.089813 -0.012403 0.010336 -0.029290 -0.023315 0.073466 4C 1f+1 0.010919 0.019478 0.005940 -0.016112 -0.001111 0.046393 4C 1f-1 0.008188 -0.012771 0.004240 -0.018331 -0.012720 0.009923 4C 1f+2 0.039837 -0.024968 0.013091 -0.045066 -0.045147 0.080856 4C 1f-2 -0.025263 -0.007412 -0.015079 -0.009737 0.007811 0.026963 4C 1f+3 -0.055015 -0.008758 -0.001770 0.001993 0.023304 -0.022197 4C 1f-3 -0.023735 0.014016 -0.014183 0.021566 0.033656 -0.011687 5C 1s 0.002177 -0.004410 -0.007654 0.006520 -0.003230 0.000699 5C 2s 0.007483 -0.014514 -0.029217 0.022691 -0.011268 0.005396 5C 3s -0.093874 0.041529 0.262583 -0.221099 0.005678 -0.132608 5C 4s 0.190201 0.396201 -0.288512 0.398532 0.344198 0.266561 5C 5s 0.098852 -0.159452 -0.365152 0.564663 -0.188866 -0.112387 5C 1pz 0.025950 0.032664 0.026902 0.002676 -0.000230 -0.010825 5C 1px -0.053653 0.089036 0.066916 -0.005242 0.003856 -0.046296 5C 1py 0.009875 -0.030086 -0.101479 0.051043 -0.041411 0.035822 5C 2pz -0.182685 0.067907 0.030002 -0.158241 0.059755 -0.068813 5C 2px 0.300962 -0.391944 0.099154 -0.244448 0.069369 0.102258 5C 2py 0.119921 -0.016611 -0.114088 0.302902 -0.147565 -0.082555 5C 3pz 0.168880 0.303992 0.166759 0.172691 -0.089712 0.045344 5C 3px 0.008791 -0.150626 0.050178 0.098549 -0.080765 0.003488 5C 3py -0.221744 -0.201777 -0.524434 0.072845 -0.076466 -0.130298 5C 1dz2 -0.042905 -0.005690 -0.004117 0.018559 -0.037148 -0.082129 5C 1dxz -0.005498 0.018580 0.013518 -0.000304 0.009212 -0.057163 5C 1dyz 0.020096 0.018139 -0.001652 -0.019022 0.019936 0.064433 5C 1dx2y2 -0.004833 -0.001517 -0.077219 0.054328 -0.048819 -0.033724 5C 1dxy -0.001293 -0.025906 -0.047143 0.028480 -0.003173 0.012302 5C 2dz2 -0.066383 -0.036475 -0.031301 0.034001 0.039305 0.006157 5C 2dxz 0.305314 -0.009651 -0.231659 0.354751 -0.235691 0.149864 5C 2dyz -0.134897 -0.094113 0.210386 -0.370305 0.069381 -0.159917 5C 2dx2y2 -0.033358 0.072709 0.366683 -0.598471 0.346036 0.270919 5C 2dxy -0.123108 0.408143 0.297986 -0.266524 -0.011376 0.025400 5C 1f0 -0.004598 -0.022383 -0.023039 0.015146 0.000837 -0.003992 5C 1f+1 0.016320 0.010817 -0.022216 0.027592 -0.029885 0.021719 5C 1f-1 -0.049685 -0.025669 0.024271 -0.008856 -0.009684 -0.109743 5C 1f+2 0.016528 0.008401 -0.005161 0.008840 -0.004918 0.010501 5C 1f-2 -0.026416 -0.000379 0.024230 -0.014460 0.020393 -0.040312 5C 1f+3 -0.017653 -0.014689 -0.014723 0.005770 -0.009446 -0.032680 5C 1f-3 0.008613 0.016272 0.014800 -0.003238 0.014593 0.037365 6C 1s 0.004170 0.004160 0.008242 0.005032 0.003705 0.000730 6C 2s 0.014838 0.013610 0.031201 0.017103 0.013148 0.005412 6C 3s -0.179131 -0.039885 -0.281466 -0.172430 -0.024411 -0.132056 6C 4s 0.378447 -0.375530 0.327146 0.345212 -0.331582 0.269025 6C 5s 0.255772 0.212784 0.462237 0.483263 0.177069 -0.148002 6C 1pz -0.018660 0.037242 0.026400 -0.007904 -0.000611 0.009350 6C 1px 0.088849 0.092690 0.063007 -0.004830 0.012522 0.045667 6C 1py -0.022997 -0.029653 -0.107246 -0.032395 -0.045940 -0.032246 6C 2pz 0.153960 0.042415 0.042285 0.155122 0.078338 0.081034 6C 2px -0.230249 -0.389634 0.144185 0.212765 0.059831 -0.116499 6C 2py -0.114820 0.010010 -0.146096 -0.281657 -0.166535 0.073038 6C 3pz -0.187333 0.362953 0.141779 -0.190162 -0.108105 -0.054520 6C 3px 0.074643 -0.131445 0.033213 -0.091041 -0.084807 -0.002436 6C 3py 0.256785 -0.272375 -0.535164 0.005262 -0.057704 0.146897 6C 1dz2 -0.044491 0.011437 0.008541 0.016854 0.032773 -0.084133 6C 1dxz -0.020747 -0.017260 -0.011557 0.002297 -0.013600 -0.057463 6C 1dyz 0.023343 -0.020600 -0.002701 -0.018643 -0.016869 0.064172 6C 1dx2y2 0.002229 0.001350 0.084182 0.039043 0.049812 -0.037072 6C 1dxy 0.007394 0.024555 0.050681 0.021257 0.005772 0.012598 6C 2dz2 -0.048796 0.036407 0.035031 0.027286 -0.040298 0.009234 6C 2dxz 0.285758 -0.034924 0.274965 0.311854 0.265942 0.158297 6C 2dyz -0.183244 0.110458 -0.256115 -0.326131 -0.090282 -0.156801 6C 2dx2y2 -0.090542 -0.066770 -0.444906 -0.517210 -0.355772 0.282343 6C 2dxy -0.211064 -0.410811 -0.321537 -0.217426 -0.009340 0.014893 6C 1f0 -0.002633 -0.024062 -0.024717 -0.011202 0.000120 0.004159 6C 1f+1 -0.015050 0.014756 -0.026115 -0.022694 -0.032054 -0.021132 6C 1f-1 0.045253 -0.034510 0.023354 0.005372 -0.001992 0.110398 6C 1f+2 -0.017593 0.011573 -0.006416 -0.007929 -0.005377 -0.010603 6C 1f-2 0.028762 -0.007896 0.025634 0.010241 0.023862 0.041203 6C 1f+3 0.014130 -0.013983 -0.015851 -0.002803 -0.007348 0.033137 6C 1f-3 -0.001199 0.019687 0.014587 -0.000665 0.013570 -0.038278 7C 1s 0.004545 -0.002060 0.004150 0.006542 -0.005264 -0.000061 7C 2s 0.016262 -0.009554 0.013738 0.023765 -0.019329 -0.002379 7C 3s -0.119239 0.172634 -0.098746 -0.246699 0.135004 0.059266 7C 4s -0.130156 -0.561040 0.076450 0.343495 -0.025301 -0.001634 7C 5s 0.335535 -0.898288 -0.212372 0.314083 0.063102 0.146895 7C 1pz 0.003308 -0.059664 0.015993 0.049077 -0.048481 -0.042261 7C 1px 0.107387 -0.096760 -0.005596 0.050610 -0.035341 0.006859 7C 1py 0.097878 -0.056996 -0.033553 0.011246 -0.004917 -0.026163 7C 2pz 0.211720 0.122111 0.276880 0.329871 -0.187385 0.190048 7C 2px -0.317832 0.319995 -0.133875 -0.037828 -0.045587 0.013698 7C 2py -0.042026 0.194095 0.141885 0.213092 -0.102286 -0.007679 7C 3pz 0.149364 -0.145391 -0.180431 -0.112030 -0.205536 0.037480 7C 3px -0.049040 0.219694 0.119043 0.050543 -0.148167 0.077837 7C 3py 0.226000 0.056936 -0.248709 -0.256978 0.043749 -0.039427 7C 1dz2 -0.029648 0.023507 -0.036987 -0.023232 0.033767 -0.083125 7C 1dxz -0.024860 0.052748 -0.032003 -0.027785 0.029350 -0.031531 7C 1dyz 0.021268 0.033037 0.017552 -0.013910 0.000655 0.063433 7C 1dx2y2 0.010221 -0.017572 -0.024404 0.020836 -0.021793 -0.079318 7C 1dxy -0.021035 -0.002413 0.006740 0.017399 0.002174 0.000282 7C 2dz2 0.082166 0.087112 0.171367 0.306643 -0.261696 0.286255 7C 2dxz 0.534529 -0.184304 0.140527 0.246749 -0.058684 0.200347 7C 2dyz 0.249341 -0.133600 0.088224 0.398520 -0.128264 -0.015377 7C 2dx2y2 0.101418 -0.044625 -0.230399 -0.405502 0.367362 0.035074 7C 2dxy -0.125166 -0.106502 0.163160 0.173397 -0.162674 -0.178631 7C 1f0 -0.096330 -0.003493 0.017354 0.028499 -0.027020 -0.073331 7C 1f+1 -0.021416 0.020197 0.011007 0.015615 -0.005254 -0.047095 7C 1f-1 -0.005255 -0.013130 0.007559 0.018418 -0.013465 -0.011184 7C 1f+2 -0.041724 -0.017207 0.023028 0.044419 -0.051064 -0.079317 7C 1f-2 0.014890 -0.006770 -0.012341 0.012370 0.005566 -0.027242 7C 1f+3 0.059248 -0.013567 -0.002718 -0.002370 0.024133 0.021778 7C 1f-3 0.025916 0.011057 -0.018171 -0.020181 0.034105 0.010543 8C 1s 0.001671 0.001525 0.002397 0.004516 0.001933 -0.003075 8C 2s 0.007242 0.007033 0.014674 0.016540 0.009411 -0.007720 8C 3s -0.009159 -0.089016 -0.023618 -0.052122 -0.054965 0.106019 8C 4s -0.310026 0.213820 -0.574614 -0.509269 -0.155313 -0.263637 8C 5s -0.100566 -0.924856 -1.294594 -0.582729 -0.394008 0.206332 8C 1pz 0.030142 -0.024815 0.148758 0.112183 0.114493 -0.088845 8C 1px -0.029682 -0.072122 -0.044877 -0.001687 0.003137 -0.045834 8C 1py 0.020926 -0.064572 0.130174 0.064123 0.066524 0.010243 8C 2pz -0.065634 0.196554 0.074425 0.203214 0.021364 -0.393299 8C 2px 0.051588 0.031902 0.107396 0.114323 0.004189 -0.065874 8C 2py -0.354366 0.199799 -0.441965 -0.508733 -0.171292 -0.361929 8C 3pz 0.047232 0.137534 0.404956 0.261503 0.223188 -0.181145 8C 3px -0.134716 0.024227 -0.028424 -0.025856 0.001750 -0.117610 8C 3py -0.041310 -0.147357 -0.171349 -0.018678 0.011473 -0.058510 8C 1dz2 0.034937 0.006479 0.025160 0.000146 -0.001509 0.070505 8C 1dxz 0.012578 -0.075051 -0.001119 0.028770 0.033596 0.019863 8C 1dyz -0.030977 0.007688 -0.030795 -0.019369 -0.012626 -0.034474 8C 1dx2y2 0.033402 -0.054609 0.051993 0.023898 0.041531 0.063749 8C 1dxy 0.020599 0.002890 0.054841 0.009998 0.016157 0.028581 8C 2dz2 0.061558 -0.031388 -0.345684 -0.174571 -0.287897 0.445213 8C 2dxz -0.089026 0.160692 -0.077702 -0.157360 -0.181350 -0.078798 8C 2dyz 0.163245 -0.029075 0.127828 0.096082 0.008536 0.241686 8C 2dx2y2 -0.030497 0.206736 0.118173 0.115374 -0.012234 -0.247194 8C 2dxy -0.083464 -0.122805 0.044166 0.167672 0.135552 -0.349704 8C 1f0 -0.019600 0.045297 -0.095013 -0.080942 -0.086760 0.053471 8C 1f+1 -0.025233 -0.042735 -0.064002 -0.029709 -0.019424 -0.021239 8C 1f-1 0.046943 -0.045799 0.097221 0.050115 0.064493 0.036243 8C 1f+2 -0.025981 -0.031846 -0.086784 -0.045604 -0.038774 -0.015211 8C 1f-2 0.002373 0.013647 -0.028373 -0.016102 -0.019550 0.026156 8C 1f+3 0.005923 0.065617 -0.060424 -0.053794 -0.083627 0.069227 8C 1f-3 0.011044 0.074639 0.093207 0.032016 0.026975 -0.024839 9C 1s 0.002848 0.000735 0.001411 0.003671 -0.001352 0.002892 9C 2s 0.011253 -0.004041 0.004180 0.014556 -0.007145 0.007761 9C 3s -0.056006 0.003874 0.013459 -0.013660 0.005121 -0.072176 9C 4s -0.115742 0.160595 -0.314109 -0.592705 0.350514 0.028347 9C 5s -0.987855 0.691026 0.322724 -0.540709 0.383649 -0.099692 9C 1pz 0.072708 0.039837 -0.070296 -0.073598 0.076451 -0.015908 9C 1px -0.050494 0.110378 -0.008920 -0.067122 0.084475 -0.029733 9C 1py -0.120290 -0.015752 0.124868 0.074084 -0.105171 0.122155 9C 2pz -0.174148 -0.036199 0.350480 0.638788 -0.428579 -0.160675 9C 2px 0.067863 -0.053613 -0.034906 0.178882 -0.081477 -0.163948 9C 2py 0.654310 0.047417 -0.072765 0.067801 0.180008 0.436813 9C 3pz 0.135440 -0.158041 -0.076750 0.085634 -0.065124 -0.077769 9C 3px -0.106889 0.066918 -0.110522 -0.200406 0.157395 -0.073093 9C 3py 0.186984 -0.120306 0.061498 0.099035 -0.130545 0.225106 9C 1dz2 0.106998 0.015524 -0.032224 -0.033583 0.059497 0.059892 9C 1dxz -0.001667 0.054954 -0.017916 -0.066787 0.057574 0.052258 9C 1dyz -0.013926 0.006729 0.001544 0.015008 -0.009525 -0.024268 9C 1dx2y2 0.096583 -0.022559 -0.049192 -0.044515 0.054437 0.029804 9C 1dxy -0.119034 0.013187 0.062173 0.024224 -0.054448 0.023259 9C 2dz2 -0.288251 0.032888 0.161878 0.005241 -0.173996 0.222678 9C 2dxz -0.003214 -0.113809 -0.063173 0.080669 -0.039676 -0.437617 9C 2dyz -0.069163 -0.017663 -0.170478 -0.234151 0.142691 -0.178625 9C 2dx2y2 -0.227127 -0.075707 0.189989 0.178219 -0.307827 0.085304 9C 2dxy 0.361215 -0.185610 0.029480 -0.028071 0.013604 0.510504 9C 1f0 -0.144908 0.010414 0.087267 0.059408 -0.080616 0.018043 9C 1f+1 0.026217 0.037870 -0.069608 -0.055031 0.081887 -0.090627 9C 1f-1 0.044889 -0.033637 -0.010119 0.026073 -0.010773 -0.018980 9C 1f+2 -0.005553 -0.003739 -0.011107 0.009921 -0.012287 -0.045183 9C 1f-2 0.008477 -0.079848 0.033709 0.080917 -0.078932 0.022381 9C 1f+3 -0.068392 0.031142 0.074181 0.037548 -0.054820 0.082045 9C 1f-3 -0.021430 0.073615 -0.015407 -0.059906 0.064250 -0.001174 10H 1s 0.124469 0.133235 0.048518 0.046225 0.053264 -0.022661 10H 2s 0.092873 -0.049910 0.075613 -0.041788 -0.179948 -0.235755 10H 3s 0.133846 0.062580 0.102726 -0.019310 -0.019338 0.000131 10H 1pz -0.051737 -0.008236 -0.105899 0.102790 0.094596 0.150763 10H 1px -0.084076 0.016606 -0.059611 0.027559 0.080452 0.134469 10H 1py 0.099411 -0.115519 0.206309 -0.171400 -0.262676 -0.348188 11H 1s 0.176700 -0.257004 0.195047 -0.333888 -0.379384 -0.118145 11H 2s 0.120770 0.443200 -0.279090 0.332446 0.438302 0.809222 11H 3s 0.304652 -0.091084 0.133962 -0.010576 -0.107665 -0.061177 11H 1pz -0.001271 0.082382 -0.147550 0.136591 0.173381 0.340885 11H 1px 0.121563 0.109887 0.056476 -0.037248 -0.004189 0.069630 11H 1py 0.000038 0.051627 0.032454 0.023881 0.048808 -0.081949 12H 1s -0.359409 -0.087090 -0.261469 0.177902 0.233879 0.159458 12H 2s -0.061251 0.278033 0.269231 -0.017408 -0.001623 -0.752573 12H 3s -0.149235 0.029993 -0.129958 0.268068 0.208549 0.078197 12H 1pz 0.073701 0.054957 0.070116 -0.012477 -0.077167 -0.106692 12H 1px -0.089326 0.188322 -0.081951 0.130476 0.232527 0.111618 12H 1py -0.067674 -0.008401 0.105878 -0.035200 -0.076607 -0.365811 13H 1s -0.030796 -0.156447 -0.143940 0.067752 -0.014928 0.012964 13H 2s 0.062447 0.202217 0.101139 -0.191668 0.133280 0.259160 13H 3s -0.063199 -0.158604 -0.070600 0.036554 -0.006534 -0.037020 13H 1pz 0.019511 -0.025232 0.222161 -0.228997 0.236372 0.295725 13H 1px -0.001231 -0.047838 0.126744 -0.068094 0.086045 0.083116 13H 1py -0.022267 -0.131903 0.083148 -0.109835 0.120081 0.112345 14H 1s 0.113935 0.281187 -0.039967 0.125464 -0.178655 -0.090225 14H 2s 0.083815 -0.272436 -0.053402 -0.110382 0.183900 0.661894 14H 3s 0.121073 0.090747 -0.152305 0.193810 -0.136983 -0.028979 14H 1pz 0.040408 -0.028095 0.215247 -0.206743 0.237034 0.331370 14H 1px 0.040081 -0.028059 -0.135469 0.090246 -0.074537 0.093113 14H 1py -0.000180 0.064202 0.052209 -0.029722 -0.039609 -0.052897 15H 1s -0.101021 -0.059094 0.400970 -0.340283 0.291822 0.042871 15H 2s -0.116610 -0.128547 -0.721275 0.622887 -0.573954 -0.692155 15H 3s -0.014251 -0.192174 0.024622 0.034388 0.059885 0.025146 15H 1pz 0.053583 0.039734 -0.004488 -0.000236 -0.019076 0.079669 15H 1px -0.024551 -0.117567 -0.062563 0.023275 -0.008767 0.013102 15H 1py 0.037210 -0.010985 0.224872 -0.209615 0.209842 0.287630 16H 1s -0.022424 0.270488 0.006923 -0.047124 -0.026484 0.036176 16H 2s 0.092602 -0.900996 -0.017707 0.163688 0.036259 -0.119573 16H 3s -0.039568 0.388269 0.038340 -0.113251 -0.069641 0.035205 16H 1pz 0.044186 -0.360716 -0.008921 -0.001994 -0.021194 -0.058450 16H 1px -0.006511 0.131697 0.003970 -0.066437 -0.055222 0.005683 16H 1py 0.049236 -0.202019 -0.021867 0.084972 0.033033 -0.017577 17H 1s 0.132873 -0.219488 -0.004221 0.018228 -0.029262 -0.053268 17H 2s -0.375148 0.774512 0.017702 -0.048846 0.052334 0.179916 17H 3s 0.155380 -0.323355 -0.042688 -0.027785 -0.064450 -0.074987 17H 1pz 0.041487 -0.257138 -0.049633 0.099473 0.052041 -0.013660 17H 1px 0.124743 -0.246023 0.014959 0.024873 -0.040213 -0.065335 17H 1py -0.042951 0.206502 0.004513 0.021788 0.029853 0.048718 18H 1s 0.080076 0.207712 0.009917 0.019271 0.018443 -0.046429 18H 2s -0.214724 -0.741760 -0.035324 -0.055084 -0.014137 0.156326 18H 3s 0.082172 0.309619 0.042772 -0.032864 0.046279 -0.065702 18H 1pz -0.055440 -0.259140 -0.063261 -0.096310 0.053858 0.007947 18H 1px -0.075640 -0.236353 0.006508 -0.029551 -0.027523 0.057969 18H 1py -0.006376 0.199236 0.004285 -0.022179 0.019158 -0.041442 19H 1s -0.046213 -0.270344 -0.015583 -0.053084 0.032810 0.025778 19H 2s 0.145117 0.902426 0.049340 0.182736 -0.058687 -0.087729 19H 3s -0.088938 -0.386272 -0.055667 -0.118138 0.076036 0.019525 19H 1pz -0.028765 -0.355232 -0.011984 -0.001971 -0.008386 0.046365 19H 1px 0.027274 0.134001 0.013055 0.070449 -0.054667 -0.001579 19H 1py -0.073542 -0.205679 -0.033774 -0.086412 0.034977 0.011862 20H 1s -0.114759 0.085131 -0.446980 -0.264329 -0.309104 0.056730 20H 2s -0.045625 0.135597 0.810174 0.479957 0.564690 -0.721564 20H 3s 0.023302 0.213652 -0.022316 0.036841 -0.058838 0.027760 20H 1pz -0.040714 0.047328 -0.003922 0.000691 -0.026114 -0.077493 20H 1px -0.029184 -0.124735 -0.063208 -0.012414 -0.013109 -0.013970 20H 1py -0.030751 -0.010430 0.255524 0.164256 0.204340 -0.300022 21H 1s 0.006689 -0.311977 0.062382 0.115560 0.178580 -0.096509 21H 2s 0.201973 0.259691 0.028667 -0.108038 -0.148475 0.678416 21H 3s 0.068579 -0.107646 0.184079 0.167315 0.146541 -0.035389 21H 1pz -0.038349 -0.026940 0.246066 0.161650 0.228328 -0.344763 21H 1px -0.066463 -0.014605 -0.147841 -0.068952 -0.087922 -0.092248 21H 1py 0.021922 0.064721 0.053521 0.020564 -0.035965 0.057681 22H 1s 0.043094 0.160208 0.148808 0.042430 0.023871 0.013618 22H 2s 0.023023 -0.195201 -0.129724 -0.174000 -0.129012 0.246601 22H 3s -0.023556 0.172993 0.076074 0.022670 0.005260 -0.040749 22H 1pz -0.027984 -0.034283 0.259346 0.186295 0.231989 -0.304912 22H 1px -0.006050 -0.048574 0.135002 0.042496 0.085194 -0.088763 22H 1py -0.005531 -0.139241 0.100567 0.091360 0.118040 -0.123009 23H 1s -0.442173 0.117698 0.298432 0.139352 -0.229422 0.173801 23H 2s 0.049507 -0.265358 -0.269932 0.035200 -0.037310 -0.772514 23H 3s -0.169239 -0.017597 0.174927 0.258003 -0.205275 0.094252 23H 1pz -0.083168 0.058375 0.074707 0.003683 -0.074831 0.114771 23H 1px 0.067537 0.177899 -0.103411 -0.120653 0.223840 -0.124798 23H 1py 0.047257 -0.013501 0.106678 0.014123 -0.052454 0.377383 24H 1s 0.183356 0.231769 -0.254138 -0.310370 0.374316 -0.144326 24H 2s 0.197832 -0.453080 0.313664 0.286630 -0.380479 0.848892 24H 3s 0.369241 0.059183 -0.148171 0.009469 0.112708 -0.065617 24H 1pz 0.002441 0.080200 -0.167390 -0.112913 0.154120 -0.360493 24H 1px -0.177254 0.121549 0.069567 0.031498 -0.015525 -0.068239 24H 1py -0.013970 0.049492 0.027482 -0.029878 0.054074 0.078884 25H 1s 0.169345 -0.137257 -0.038764 0.056554 -0.056549 -0.018823 25H 2s -0.001480 0.045811 -0.074761 -0.031739 0.157940 -0.228672 25H 3s 0.152496 -0.073926 -0.107379 0.001441 0.017336 0.000593 25H 1pz 0.093788 -0.015474 -0.125154 -0.086578 0.087871 -0.165453 25H 1px 0.073947 0.013327 -0.064157 -0.020439 0.071631 -0.141417 25H 1py -0.110863 -0.106149 0.233728 0.141108 -0.244796 0.366663 26O 1s 0.001780 0.005174 0.002274 -0.000354 -0.000348 -0.001512 26O 2s 0.002312 0.015106 0.006450 -0.002207 -0.001166 -0.002698 26O 3s 0.039813 -0.055927 -0.017680 0.017586 -0.007165 -0.021952 26O 4s -0.293580 -0.148208 -0.124913 0.019063 0.109920 0.235887 26O 5s 0.142001 -0.210897 0.281900 -0.001781 0.263926 -0.157557 26O 1pz -0.027960 0.028469 0.001026 0.002364 0.040374 -0.041779 26O 1px -0.041610 0.003870 -0.041493 0.075121 0.048671 -0.000823 26O 1py 0.118873 0.017170 0.076317 -0.077775 -0.083742 -0.017634 26O 2pz -0.035452 -0.077642 -0.009548 -0.043524 -0.067548 0.020810 26O 2px 0.116428 0.099624 0.060195 -0.071368 -0.106250 -0.078680 26O 2py -0.096668 0.025841 -0.067982 0.053303 0.022162 0.029956 26O 3pz -0.114682 0.391965 0.274563 -0.256667 -0.074475 -0.116388 26O 3px -0.149054 0.283869 -0.112818 -0.044055 -0.035834 0.047449 26O 3py 0.260710 0.235559 0.204063 -0.401390 -0.302216 0.058921 26O 1dz2 0.000719 0.004385 0.002693 -0.000045 -0.001661 -0.003207 26O 1dxz 0.006421 0.003006 -0.000443 0.004837 0.000710 -0.002930 26O 1dyz 0.010002 0.001014 0.001535 0.000783 0.000719 -0.002239 26O 1dx2y2 -0.001403 0.003872 0.001703 -0.000181 -0.000454 -0.001075 26O 1dxy 0.003188 0.003611 -0.000425 0.005104 0.003886 -0.001848 26O 2dz2 -0.022337 0.125762 0.068976 -0.011913 -0.076663 -0.056327 26O 2dxz 0.170757 0.071170 -0.003596 0.153771 0.034914 0.032887 26O 2dyz 0.141527 0.079262 0.045318 0.015670 0.003264 0.041304 26O 2dx2y2 0.137319 0.004580 0.108705 -0.127948 -0.123966 -0.013787 26O 2dxy -0.086266 0.061496 -0.044788 0.186455 0.195437 -0.089890 26O 1f0 -0.003147 0.002523 -0.002030 -0.000066 0.002557 0.002744 26O 1f+1 -0.008585 -0.006968 -0.001280 -0.005378 -0.000207 -0.000065 26O 1f-1 -0.009471 -0.003827 -0.000364 -0.001289 -0.000454 -0.000231 26O 1f+2 0.005761 -0.003318 0.001652 0.002901 0.002709 -0.004541 26O 1f-2 0.000129 -0.005096 0.000483 -0.002828 -0.002121 0.002851 26O 1f+3 -0.001420 -0.004080 -0.002595 -0.000579 -0.002348 0.007852 26O 1f-3 -0.007176 -0.005995 0.001159 -0.007348 -0.002941 0.001824 27O 1s 0.000013 -0.000835 -0.003113 0.000303 0.001128 0.001541 27O 2s -0.000555 -0.002184 -0.008415 0.001860 0.002934 0.002569 27O 3s 0.011517 -0.005982 0.034925 -0.041480 0.010250 0.026966 27O 4s -0.025809 0.205919 0.046032 0.269160 -0.194445 -0.256257 27O 5s -0.320228 -0.216793 -0.625138 0.061202 -0.103209 0.058037 27O 1pz -0.078657 -0.067057 0.007917 -0.085724 0.061574 0.003940 27O 1px 0.017086 0.002498 -0.015521 0.029337 -0.008751 0.005893 27O 1py 0.010142 -0.039005 0.042587 0.021811 0.028886 -0.031426 27O 2pz 0.054664 0.089813 0.014406 0.066492 -0.031724 -0.038034 27O 2px 0.065275 -0.086811 0.044418 -0.145974 0.117565 0.095257 27O 2py -0.052648 0.008604 -0.127986 0.051945 -0.055190 -0.015169 27O 3pz -0.285878 -0.320658 0.007511 -0.227856 0.095009 -0.079612 27O 3px 0.002928 -0.083132 0.138503 -0.164735 0.116213 -0.026635 27O 3py 0.156756 0.075928 0.105463 0.203243 -0.155687 -0.044801 27O 1dz2 -0.000874 -0.000754 0.006557 -0.000258 -0.002742 -0.004675 27O 1dxz -0.000131 0.002717 0.000383 0.003107 -0.002834 0.001053 27O 1dyz -0.000141 0.000527 0.000727 0.002555 0.002151 -0.000813 27O 1dx2y2 0.002708 -0.001258 0.000168 0.000560 -0.003661 -0.000804 27O 1dxy -0.002150 0.000018 0.004383 -0.003082 0.000896 -0.003591 27O 2dz2 -0.019017 0.044911 0.138634 -0.030860 -0.042075 -0.101371 27O 2dxz 0.137934 0.069441 -0.109035 0.206708 -0.137076 0.068006 27O 2dyz -0.004205 0.067184 0.018693 0.035257 0.023818 0.005215 27O 2dx2y2 -0.013006 0.051405 -0.014418 -0.008512 -0.109095 -0.003017 27O 2dxy -0.015302 0.208087 0.201241 -0.185134 0.042887 0.024920 27O 1f0 0.001032 -0.001876 -0.001933 -0.003237 -0.000553 0.005014 27O 1f+1 -0.003716 0.003755 0.004822 -0.003649 0.000829 -0.005849 27O 1f-1 0.000676 0.000536 0.001388 -0.000887 -0.002735 -0.001195 27O 1f+2 -0.001138 0.001400 -0.001524 -0.000317 -0.000495 -0.004976 27O 1f-2 0.000248 -0.000398 -0.002860 0.003436 -0.002066 0.004928 27O 1f+3 -0.002012 0.005964 0.008996 -0.003895 -0.000162 -0.000889 27O 1f-3 0.003387 0.000105 0.001381 -0.002602 0.002366 0.003196 28O 1s -0.001936 0.001747 -0.000066 -0.000206 -0.000012 -0.000580 28O 2s -0.003194 0.004848 -0.000517 0.000330 -0.000470 -0.000831 28O 3s -0.035607 -0.035325 0.010912 -0.032281 -0.004614 -0.013588 28O 4s 0.334044 0.198186 -0.028333 0.261693 0.075161 0.115192 28O 5s -0.065556 -0.285142 -0.375063 0.003511 0.287735 -0.002355 28O 1pz 0.021244 0.027595 0.020621 -0.061080 -0.029272 0.008097 28O 1px 0.006977 -0.032389 0.003528 -0.071224 -0.056162 0.001330 28O 1py -0.171450 0.005587 -0.063669 0.028754 0.073924 -0.042583 28O 2pz -0.032664 -0.035608 0.037912 -0.002194 -0.047912 -0.086093 28O 2px 0.081912 0.095977 -0.042586 0.142310 0.085370 0.033695 28O 2py 0.190403 -0.012675 0.088790 -0.043225 -0.071026 0.011435 28O 3pz -0.424675 -0.153078 0.048672 -0.502354 -0.159762 0.117857 28O 3px 0.109589 -0.271562 -0.129383 -0.036054 -0.012704 -0.025225 28O 3py -0.456589 -0.190290 -0.206168 -0.190458 -0.053608 0.023140 28O 1dz2 -0.007719 0.003508 0.000100 0.003030 0.007946 0.001038 28O 1dxz -0.001500 -0.004056 0.000525 -0.002877 -0.000240 0.002369 28O 1dyz -0.009168 0.003350 -0.000319 -0.003072 -0.000682 -0.000953 28O 1dx2y2 0.001406 -0.001743 -0.000253 -0.001045 0.002601 -0.001288 28O 1dxy -0.002542 -0.003271 -0.001881 -0.003494 -0.000388 0.000785 28O 2dz2 -0.145995 -0.025718 -0.097430 0.194163 0.237836 -0.019533 28O 2dxz -0.071386 -0.002740 0.073495 -0.083297 -0.027007 0.002291 28O 2dyz -0.000614 -0.049844 -0.023818 -0.042628 -0.041166 0.059994 28O 2dx2y2 -0.071636 -0.040750 -0.015047 -0.066194 0.013580 -0.081386 28O 2dxy -0.164598 -0.092198 -0.043292 -0.107655 -0.011509 -0.010334 28O 1f0 -0.004730 0.003016 -0.003175 0.002283 0.000737 -0.000189 28O 1f+1 0.006092 0.000876 -0.001254 0.000645 0.001582 0.005227 28O 1f-1 0.010669 -0.001013 0.001754 0.001861 -0.002909 -0.000221 28O 1f+2 -0.005703 0.001414 -0.000449 0.000034 0.000439 0.002499 28O 1f-2 0.004435 0.002657 0.002386 0.004504 -0.002227 -0.004172 28O 1f+3 -0.006201 0.002335 -0.002213 0.006303 0.004354 -0.006915 28O 1f-3 0.002690 -0.000424 0.004046 -0.005675 -0.003929 -0.002710 29O 1s -0.000178 0.002297 0.000055 -0.007300 -0.002070 -0.001386 29O 2s 0.000572 0.007698 0.000297 -0.022511 -0.006930 -0.004514 29O 3s -0.031183 -0.049663 -0.002524 0.107989 0.046318 0.027866 29O 4s 0.162219 0.072814 0.006818 0.023410 -0.082159 -0.028806 29O 5s -0.175590 -0.010904 -0.024938 -0.394130 0.056413 -0.041338 29O 1pz -0.076204 0.228561 -0.008777 -0.053703 -0.011173 0.042870 29O 1px -0.062782 0.033554 -0.023971 0.039948 0.032036 0.025929 29O 1py 0.037336 0.003962 0.004612 -0.035053 -0.031860 -0.009859 29O 2pz 0.225259 -0.867891 -0.019644 0.146906 0.010223 -0.145176 29O 2px 0.137719 -0.255440 0.011233 -0.053484 -0.049021 -0.078186 29O 2py -0.091985 0.050497 0.005866 0.022749 0.051519 0.025184 29O 3pz -0.085238 0.137612 0.055117 -0.147324 -0.047840 -0.007423 29O 3px 0.040257 -0.030583 0.009031 0.350292 0.097412 0.058488 29O 3py -0.024487 -0.025171 -0.018297 -0.011998 -0.075539 0.010997 29O 1dz2 0.002285 -0.008068 0.000339 0.002351 0.000771 -0.001031 29O 1dxz 0.000254 0.006719 -0.000525 0.002306 0.001681 0.001895 29O 1dyz 0.002222 -0.012359 -0.000753 0.002134 -0.000847 -0.001930 29O 1dx2y2 -0.001164 0.001838 -0.000968 -0.004895 -0.000525 -0.000523 29O 1dxy 0.001715 -0.003788 0.001105 -0.000859 0.000677 -0.001768 29O 2dz2 0.000347 0.050257 0.039591 -0.059768 -0.042664 -0.016209 29O 2dxz 0.008491 0.045240 -0.008849 -0.004687 -0.020781 0.002580 29O 2dyz -0.019030 0.040747 -0.023826 0.042714 0.027298 0.024579 29O 2dx2y2 -0.042343 0.016324 -0.012809 -0.117930 -0.017462 -0.009316 29O 2dxy 0.020125 0.098612 0.037702 -0.078583 -0.039472 -0.018057 29O 1f0 -0.004416 -0.008083 -0.000354 -0.000593 0.001192 -0.000204 29O 1f+1 0.003050 -0.006029 -0.000285 0.001172 -0.000603 -0.001109 29O 1f-1 0.001632 -0.030415 -0.001324 0.002882 0.001925 -0.003810 29O 1f+2 -0.000569 0.011629 0.000228 -0.000414 -0.000201 0.001694 29O 1f-2 -0.015161 0.041152 0.002358 -0.006234 0.000638 0.007613 29O 1f+3 0.002801 -0.011291 -0.000099 0.001559 -0.001587 -0.002118 29O 1f-3 0.006338 -0.020221 -0.001898 0.001481 -0.002507 -0.003639 30O 1s 0.001183 0.003427 -0.000086 -0.000367 -0.000110 0.000625 30O 2s 0.004662 0.010398 0.000186 -0.000758 -0.000300 0.000751 30O 3s -0.044759 -0.027065 0.014576 -0.017043 0.011215 0.014818 30O 4s 0.148786 -0.229248 -0.204645 0.198932 -0.060119 -0.099395 30O 5s 0.128002 -0.255523 -0.002054 -0.051879 -0.294738 0.012501 30O 1pz 0.053635 0.079797 -0.017749 0.029930 -0.052984 0.046268 30O 1px -0.007334 0.050171 0.041394 -0.072256 0.001176 0.001425 30O 1py 0.050075 0.036551 0.005183 0.050565 -0.019735 0.005449 30O 2pz -0.100212 -0.006591 0.067760 -0.062434 0.074207 -0.022286 30O 2px 0.061919 -0.167705 -0.084258 0.093312 -0.027617 -0.016520 30O 2py 0.012606 -0.071025 -0.032429 -0.004081 -0.052860 -0.053937 30O 3pz 0.029893 0.432283 0.217090 -0.169997 0.026916 -0.029377 30O 3px 0.092117 0.045492 0.239186 -0.207040 -0.014776 0.033794 30O 3py 0.136431 -0.573210 -0.414474 0.383301 -0.161056 0.102959 30O 1dz2 -0.000359 -0.004150 -0.001530 0.000454 0.004087 0.000644 30O 1dxz 0.000082 0.001037 0.002136 -0.002466 0.001831 0.000091 30O 1dyz 0.002919 0.001624 0.003995 -0.000899 0.000253 -0.002179 30O 1dx2y2 -0.004382 -0.000727 0.004603 -0.003998 0.003555 -0.000784 30O 1dxy -0.000928 -0.003595 -0.004526 0.003693 -0.001625 0.000469 30O 2dz2 -0.053224 -0.180117 -0.098213 0.057954 0.084549 -0.056547 30O 2dxz 0.007246 0.079256 0.049161 0.012382 0.000878 -0.033823 30O 2dyz 0.002864 0.012043 0.010366 -0.074261 0.055477 0.043088 30O 2dx2y2 -0.147420 -0.058602 0.123472 -0.246132 0.140686 -0.034558 30O 2dxy 0.051334 -0.109260 -0.111651 0.083710 -0.087947 0.008861 30O 1f0 -0.002463 -0.002856 0.003382 -0.004248 -0.001329 -0.006147 30O 1f+1 0.001347 -0.000336 0.001167 -0.004512 0.003571 0.003225 30O 1f-1 0.002459 0.001362 -0.004520 0.002470 0.002305 0.002104 30O 1f+2 0.001071 0.006304 -0.004117 0.002615 -0.003868 0.002476 30O 1f-2 -0.006043 0.000452 -0.001488 0.001441 -0.001253 -0.004427 30O 1f+3 -0.002261 -0.000125 -0.000913 -0.000117 -0.001389 -0.003498 30O 1f-3 0.001434 0.001071 -0.000392 0.000865 0.001165 0.002235 31O 1s 0.001192 -0.003656 0.000046 -0.000317 0.000035 0.000515 31O 2s 0.004765 -0.011058 -0.000269 -0.000532 0.000056 0.000435 31O 3s -0.053166 0.030847 -0.016307 -0.015226 -0.011140 0.015715 31O 4s 0.254359 0.223772 0.225442 0.162055 0.072415 -0.094975 31O 5s -0.215451 0.227325 -0.014703 -0.039625 0.305429 0.030371 31O 1pz -0.025552 0.092669 -0.023352 -0.026928 -0.057370 -0.046841 31O 1px 0.047698 0.053051 0.050160 0.063326 0.004519 -0.002214 31O 1py -0.050336 0.042770 -0.003432 -0.050886 -0.021558 -0.005565 31O 2pz 0.068111 -0.025961 0.075072 0.051908 0.081578 0.025668 31O 2px -0.109371 -0.165555 -0.093206 -0.078088 -0.036124 0.012832 31O 2py -0.004574 -0.068477 -0.027957 0.010026 -0.052317 0.051397 31O 3pz 0.052258 0.444622 0.230505 0.130984 0.048177 0.033938 31O 3px 0.082236 0.059826 0.268782 0.151352 -0.013223 -0.044963 31O 3py -0.207911 -0.563770 -0.457941 -0.307816 -0.198382 -0.099509 31O 1dz2 0.000435 0.004380 0.001531 0.000292 -0.004023 0.000770 31O 1dxz -0.001337 -0.001062 -0.002467 -0.002007 -0.001942 0.000122 31O 1dyz 0.002617 -0.001138 -0.004156 -0.000244 -0.000233 -0.002214 31O 1dx2y2 -0.005790 0.001622 -0.005104 -0.003056 -0.003685 -0.000588 31O 1dxy 0.000834 0.003737 0.004930 0.002813 0.001949 0.000344 31O 2dz2 0.005119 0.195794 0.102924 0.040651 -0.085209 -0.056347 31O 2dxz -0.001352 -0.076031 -0.044375 0.019810 -0.004672 -0.036631 31O 2dyz 0.041415 -0.007182 -0.020979 -0.070775 -0.053978 0.042452 31O 2dx2y2 -0.152009 0.076612 -0.155844 -0.217570 -0.151802 -0.030594 31O 2dxy 0.050931 0.101637 0.119975 0.062284 0.095856 0.008366 31O 1f0 0.002051 -0.003076 0.003972 0.003676 -0.000812 0.006076 31O 1f+1 -0.001974 -0.000251 0.001892 0.004205 0.003581 -0.003293 31O 1f-1 -0.001961 0.001874 -0.004822 -0.001831 0.002051 -0.002097 31O 1f+2 -0.000293 0.007066 -0.004476 -0.001772 -0.003951 -0.002271 31O 1f-2 0.006264 0.000112 -0.001866 -0.001072 -0.000721 0.004588 31O 1f+3 0.000754 -0.000879 -0.000868 0.000423 -0.001307 0.003806 31O 1f-3 -0.002229 0.001094 -0.000342 -0.000674 0.001108 -0.002103 32O 1s 0.000368 -0.002703 -0.001044 -0.007309 0.001614 -0.001483 32O 2s 0.001664 -0.009090 -0.003322 -0.022569 0.005478 -0.004846 32O 3s -0.021647 0.059772 0.016403 0.109443 -0.038140 0.030296 32O 4s 0.109226 -0.092290 -0.000329 0.017642 0.077274 -0.033275 32O 5s -0.209501 0.013734 -0.032358 -0.393881 -0.075965 -0.041144 32O 1pz 0.084179 0.222581 0.000608 0.059446 -0.016318 -0.034070 32O 1px -0.004544 0.028767 -0.027313 -0.037842 0.026268 -0.024632 32O 1py -0.010546 0.012003 0.008894 0.036782 -0.029279 0.009006 32O 2pz -0.209594 -0.855851 -0.048799 -0.161042 0.036152 0.115204 32O 2px -0.031527 -0.241865 0.013262 0.050900 -0.031420 0.070054 32O 2py 0.031386 0.021769 0.003302 -0.029620 0.046178 -0.021623 32O 3pz 0.128160 0.131801 0.073616 0.139998 -0.042526 0.015909 32O 3px -0.126764 -0.032147 -0.037407 -0.355510 0.076422 -0.060668 32O 3py 0.028702 -0.029050 -0.016559 0.018266 -0.077596 -0.009517 32O 1dz2 0.000983 0.007480 -0.000007 0.002511 -0.000968 -0.000737 32O 1dxz 0.000511 -0.006927 0.000688 0.002060 -0.001204 0.001810 32O 1dyz 0.001722 0.012586 0.001193 0.002253 0.000417 -0.001545 32O 1dx2y2 -0.000504 -0.002168 0.000265 -0.005120 0.000302 -0.000554 32O 1dxy 0.000989 0.003397 -0.001108 -0.000580 -0.001071 -0.001517 32O 2dz2 -0.030785 -0.048161 -0.046380 -0.056514 0.040233 -0.018275 32O 2dxz 0.011729 -0.041023 0.009745 -0.005594 0.019231 0.003120 32O 2dyz 0.009958 -0.042033 0.025043 0.033523 -0.018919 0.022879 32O 2dx2y2 -0.082272 -0.008425 -0.003208 -0.120790 0.011578 -0.010645 32O 2dxy -0.020342 -0.100611 -0.046727 -0.076799 0.035363 -0.019668 32O 1f0 0.001816 -0.006992 -0.000192 0.000509 0.001134 -0.000254 32O 1f+1 -0.001836 -0.006734 -0.000630 -0.001384 -0.000361 0.001194 32O 1f-1 -0.003876 -0.030212 -0.001906 -0.003387 0.002771 0.002610 32O 1f+2 0.000328 0.011752 0.000338 0.000670 -0.000692 -0.001259 32O 1f-2 0.010331 0.040488 0.003722 0.006472 -0.000960 -0.006400 32O 1f+3 -0.001356 -0.009485 -0.000362 -0.001478 -0.001157 0.001517 32O 1f-3 -0.003811 -0.020067 -0.002348 -0.001384 -0.001704 0.003116 33O 1s -0.001670 -0.001535 0.000010 -0.000339 0.000021 -0.000633 33O 2s -0.002423 -0.004353 0.000478 -0.000150 0.000545 -0.001082 33O 3s -0.045816 0.035639 -0.014988 -0.028483 0.002992 -0.011643 33O 4s 0.408372 -0.217643 0.065700 0.257852 -0.064483 0.113686 33O 5s -0.038159 0.287053 0.371473 -0.062799 -0.296291 -0.012940 33O 1pz -0.027885 0.029640 0.032379 0.060680 -0.030809 -0.006749 33O 1px 0.001800 -0.030432 0.015162 0.072932 -0.053482 0.002841 33O 1py 0.196779 -0.007500 -0.072715 -0.020534 0.079996 0.041965 33O 2pz 0.060339 -0.040650 0.033079 -0.007688 -0.038049 0.083055 33O 2px -0.114333 0.100190 -0.064425 -0.137500 0.080754 -0.036268 33O 2py -0.215162 0.001880 0.098759 0.029562 -0.072926 -0.011017 33O 3pz 0.533123 -0.173045 0.130403 0.507760 -0.174346 -0.101346 33O 3px -0.151588 -0.257552 -0.125022 0.060199 0.000090 0.040301 33O 3py 0.518000 -0.217283 -0.177672 0.233988 -0.054451 -0.010097 33O 1dz2 -0.006984 -0.002898 0.000377 0.003188 -0.007731 0.001581 33O 1dxz -0.003017 0.003916 -0.000931 -0.002847 0.000404 0.002235 33O 1dyz -0.008981 -0.002779 -0.000252 -0.003176 0.000745 -0.000954 33O 1dx2y2 0.001562 0.001745 0.000221 -0.001006 -0.002987 -0.001168 33O 1dxy -0.003416 0.003582 0.001338 -0.003851 0.000343 0.000702 33O 2dz2 -0.150939 0.043135 0.127674 0.182176 -0.232920 -0.009261 33O 2dxz -0.098278 0.005343 -0.085217 -0.071481 0.030023 0.000583 33O 2dyz -0.001054 0.051059 0.010872 -0.051053 0.049817 0.058284 33O 2dx2y2 -0.079567 0.046400 0.010736 -0.066396 -0.028225 -0.084045 33O 2dxy -0.186828 0.102465 0.028823 -0.114368 0.006269 -0.014630 33O 1f0 0.005752 0.002619 -0.003769 -0.001889 0.000913 0.000157 33O 1f+1 -0.006039 0.001278 -0.001311 -0.000434 0.001302 -0.005391 33O 1f-1 -0.011293 -0.000181 0.001465 -0.002162 -0.002748 0.000238 33O 1f+2 0.006325 0.001024 -0.000366 0.000117 0.000142 -0.002834 33O 1f-2 -0.003735 0.002733 0.001592 -0.004795 -0.002026 0.004095 33O 1f+3 0.007763 0.001591 -0.003495 -0.006136 0.004815 0.006660 33O 1f-3 -0.002725 -0.000295 0.004930 0.005016 -0.003611 0.002888 34O 1s 0.000822 0.000883 0.003100 -0.000241 -0.001028 0.001388 34O 2s 0.001513 0.002193 0.008600 0.000350 -0.002827 0.002119 34O 3s 0.009284 0.008928 -0.041844 -0.033664 -0.007982 0.029434 34O 4s -0.108749 -0.224395 0.000694 0.264880 0.178359 -0.259963 34O 5s -0.027152 0.231888 0.621423 -0.048371 0.123058 0.040236 34O 1pz 0.036724 -0.080081 0.022452 0.082878 0.063964 -0.003138 34O 1px -0.016139 0.003948 -0.019093 -0.025339 -0.009413 -0.005692 34O 1py -0.000286 -0.041579 0.039554 -0.029069 0.031982 0.029073 34O 2pz -0.002809 0.101920 0.001428 -0.068518 -0.030429 0.036711 34O 2px -0.067834 -0.090366 0.067578 0.130203 0.113887 -0.099472 34O 2py 0.025533 0.007678 -0.135428 -0.028470 -0.059519 0.018636 34O 3pz 0.172827 -0.365541 0.039425 0.228161 0.111463 0.091339 34O 3px -0.006178 -0.090222 0.159998 0.139741 0.132809 0.019264 34O 3py -0.093141 0.082719 0.083007 -0.217826 -0.168095 0.041934 34O 1dz2 -0.001422 0.001031 -0.006323 0.000716 0.002182 -0.004821 34O 1dxz -0.000534 -0.002443 0.000049 0.003077 0.003095 0.000909 34O 1dyz -0.001435 -0.000890 -0.000312 0.002782 -0.002228 -0.000542 34O 1dx2y2 0.002693 0.001015 -0.000136 0.000451 0.003683 -0.000971 34O 1dxy -0.002951 -0.000398 -0.004501 -0.002246 -0.001520 -0.003479 34O 2dz2 -0.057687 -0.036764 -0.138506 -0.009320 0.030467 -0.104276 34O 2dxz 0.130210 -0.091353 0.137908 0.184612 0.149943 0.067983 34O 2dyz -0.028548 -0.068055 -0.014623 0.039734 -0.022560 0.008558 34O 2dx2y2 -0.012901 -0.051195 0.012509 -0.013110 0.113238 -0.008009 34O 2dxy -0.104341 -0.214205 -0.220320 -0.146624 -0.053354 0.026624 34O 1f0 -0.002147 -0.001827 -0.001264 0.003535 -0.000932 -0.005089 34O 1f+1 0.005622 0.003800 0.005060 0.002850 0.001491 0.005834 34O 1f-1 -0.000633 0.000318 0.001501 0.000754 -0.002638 0.001290 34O 1f+2 0.002007 0.001067 -0.001580 0.000627 -0.000238 0.005035 34O 1f-2 -0.001933 -0.000489 -0.003151 -0.002819 -0.002654 -0.004871 34O 1f+3 0.004362 0.006400 0.009266 0.002493 0.000443 0.000810 34O 1f-3 -0.003846 -0.000254 0.001992 0.002312 0.002034 -0.003211 35O 1s 0.001466 -0.005112 -0.002269 -0.000020 0.000205 -0.001508 35O 2s 0.001237 -0.014667 -0.006703 -0.001295 0.000945 -0.002794 35O 3s 0.047937 0.048797 0.021975 0.015724 0.003897 -0.020807 35O 4s -0.335830 0.179421 0.113278 -0.007546 -0.078347 0.231922 35O 5s 0.356379 0.212072 -0.269906 0.090201 -0.287454 -0.110744 35O 1pz 0.024760 0.024335 -0.003993 -0.005979 0.048195 0.039008 35O 1px 0.052883 -0.000928 -0.052864 -0.068515 0.047028 -0.001592 35O 1py -0.136301 0.026671 0.089571 0.067541 -0.081876 0.018510 35O 2pz 0.048817 -0.075882 0.000743 0.049695 -0.073958 -0.015109 35O 2px -0.132286 0.116848 0.066255 0.064285 -0.095817 0.085743 35O 2py 0.126439 0.021775 -0.079017 -0.042166 0.020948 -0.027982 35O 3pz 0.188439 0.382048 0.302405 0.196974 -0.052526 0.116549 35O 3px 0.222703 0.281726 -0.105303 0.075648 -0.039551 -0.033920 35O 3py -0.285500 0.267347 0.274238 0.377432 -0.302292 -0.047078 35O 1dz2 -0.000615 -0.004057 -0.002536 0.000484 0.001381 -0.003254 35O 1dxz 0.005803 -0.003072 0.001232 0.004630 -0.000848 -0.002859 35O 1dyz 0.011064 -0.001770 -0.001329 0.001030 -0.001050 -0.001983 35O 1dx2y2 -0.001987 -0.003688 -0.001656 0.000190 0.000415 -0.001080 35O 1dxy 0.002838 -0.003608 0.001381 0.005101 -0.004005 -0.001546 35O 2dz2 -0.055570 -0.120882 -0.069075 -0.001420 0.073855 -0.061351 35O 2dxz 0.231396 -0.078498 0.021366 0.151293 -0.023941 0.039413 35O 2dyz 0.181527 -0.090368 -0.045369 0.025797 0.000414 0.046536 35O 2dx2y2 0.144459 -0.013537 -0.128403 -0.111022 0.119657 -0.016184 35O 2dxy -0.068886 -0.047103 0.080110 0.188963 -0.201217 -0.079044 35O 1f0 0.002485 0.002466 -0.001948 0.000400 0.002381 -0.002832 35O 1f+1 0.010205 -0.007559 -0.000453 0.005515 -0.000143 0.000290 35O 1f-1 0.009998 -0.004585 -0.000025 0.001365 -0.000747 0.000400 35O 1f+2 -0.006356 -0.003021 0.001063 -0.003234 0.003029 0.004412 35O 1f-2 0.000625 -0.004753 0.000975 0.002771 -0.002289 -0.002694 35O 1f+3 0.003058 -0.004008 -0.002392 0.001009 -0.002814 -0.007922 35O 1f-3 0.008554 -0.006776 0.002476 0.007166 -0.003022 -0.001695 426 427 428 429 430 431 2.35861 2.37645 2.38774 2.38954 2.39587 2.42157 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s -0.000118 0.000500 0.000457 0.002949 -0.000027 -0.002082 0Rh 2s 0.001136 -0.002772 -0.002481 -0.017148 0.000603 0.010452 0Rh 3s -0.000003 0.001261 0.001184 0.006945 0.000212 -0.005918 0Rh 4s -0.005832 0.014165 0.012674 0.087514 -0.003040 -0.053332 0Rh 5s 0.011894 -0.022714 -0.020087 -0.142260 0.006349 0.077444 0Rh 6s -0.010391 0.001072 -0.000127 0.004719 -0.004068 0.044914 0Rh 7s 0.055318 -0.049844 0.031259 0.071397 -0.027264 -0.548896 0Rh 8s -0.082601 0.029131 -0.084496 0.318535 -0.105558 0.031093 0Rh 1pz -0.001460 -0.001498 -0.003355 -0.002948 -0.004115 0.000449 0Rh 1px -0.002762 -0.000015 -0.002737 0.000864 -0.000706 -0.000069 0Rh 1py 0.000355 -0.005355 0.003537 -0.000260 -0.002984 -0.004922 0Rh 2pz 0.004559 0.005277 0.011733 0.010508 0.015223 -0.001402 0Rh 2px 0.009753 -0.000003 0.009807 -0.003134 0.002791 -0.000464 0Rh 2py -0.001432 0.019001 -0.013070 0.000920 0.010274 0.017504 0Rh 3pz 0.010152 -0.003410 -0.005379 -0.008994 -0.025070 -0.002993 0Rh 3px -0.006152 0.001179 -0.009463 0.003838 -0.008349 0.015473 0Rh 3py 0.004704 -0.014272 0.021291 -0.000323 -0.001198 -0.013648 0Rh 4pz -0.077713 -0.020298 -0.058466 -0.035178 0.000882 0.022196 0Rh 4px -0.044355 -0.004977 -0.028395 0.005147 0.016560 -0.061530 0Rh 4py -0.009858 -0.072659 -0.000962 -0.007486 -0.066408 -0.065234 0Rh 5pz 0.165030 0.019882 0.105415 0.058521 -0.017944 -0.046124 0Rh 5px 0.091133 0.011036 0.046960 -0.000893 -0.042621 0.122384 0Rh 5py 0.020065 0.128706 0.024706 0.031347 0.123600 0.103113 0Rh 6pz 0.004509 0.533367 0.175775 0.177472 0.486358 0.410702 0Rh 6px -0.043531 0.031666 0.207993 -0.079612 0.374868 -0.389357 0Rh 6py 0.129596 0.251532 -0.536477 -0.379969 0.165499 1.051663 0Rh 1dz2 -0.002298 0.005779 0.001078 0.001270 0.006100 0.005781 0Rh 1dxz 0.007748 -0.010831 0.011045 0.004400 -0.002176 -0.000702 0Rh 1dyz 0.023075 -0.017476 -0.001115 -0.002143 -0.002879 0.001738 0Rh 1dx2y2 -0.004575 -0.009332 0.002521 -0.010358 -0.004216 0.005209 0Rh 1dxy 0.007821 -0.003819 0.005265 0.003103 0.012194 -0.006291 0Rh 2dz2 -0.001760 -0.004525 -0.001143 -0.001673 -0.000840 0.001996 0Rh 2dxz 0.000593 0.000942 0.000375 -0.001858 -0.000347 0.001322 0Rh 2dyz -0.002645 -0.008296 0.001083 0.000030 -0.001401 0.002486 0Rh 2dx2y2 0.001207 -0.000349 0.001521 0.003042 -0.000216 -0.000691 0Rh 2dxy 0.000112 -0.002494 0.000755 0.001212 0.001845 0.001339 0Rh 3dz2 0.014688 0.004372 0.002021 0.003967 -0.013017 -0.025139 0Rh 3dxz -0.023718 0.025626 -0.031916 -0.003835 0.007617 -0.004014 0Rh 3dyz -0.050249 0.085411 -0.001640 0.005788 0.014366 -0.016263 0Rh 3dx2y2 0.007270 0.027326 -0.013785 0.015009 0.012469 -0.011138 0Rh 3dxy -0.021458 0.021796 -0.017937 -0.013927 -0.041672 0.011583 0Rh 4dz2 -0.035585 -0.067082 -0.015102 -0.023580 -0.013284 0.032604 0Rh 4dxz 0.005668 0.012734 0.003230 -0.026893 -0.005856 0.019745 0Rh 4dyz -0.060138 -0.126708 0.014001 0.001161 -0.023419 0.042429 0Rh 4dx2y2 0.015195 -0.006494 0.024050 0.044173 -0.000887 -0.013416 0Rh 4dxy -0.007051 -0.038988 0.011663 0.017530 0.023763 0.018206 0Rh 5dz2 0.241107 0.284668 0.048995 0.069072 0.101123 -0.110785 0Rh 5dxz 0.056854 -0.112772 0.062752 0.107489 0.009927 -0.076425 0Rh 5dyz 0.621495 0.394603 -0.039591 -0.034964 0.102556 -0.213913 0Rh 5dx2y2 -0.044532 -0.018396 -0.094239 -0.201783 -0.046078 0.100767 0Rh 5dxy 0.174355 0.139930 -0.003545 -0.035478 0.007761 -0.127183 0Rh 1f0 0.008262 0.013455 0.053439 -0.051501 -0.010277 -0.012480 0Rh 1f+1 -0.115816 0.028568 0.029475 0.026088 0.039510 0.070288 0Rh 1f-1 0.011918 0.074676 -0.056738 0.003602 -0.045337 0.007534 0Rh 1f+2 0.057074 0.010388 0.021985 -0.016373 -0.100889 0.027042 0Rh 1f-2 -0.113736 0.071033 -0.054020 0.025301 -0.075458 0.147572 0Rh 1f+3 -0.030469 0.004126 0.020143 0.046553 0.013936 -0.006498 0Rh 1f-3 0.012778 0.005740 -0.068337 0.018032 0.036613 -0.060461 1Rh 1s 0.000137 0.000478 -0.000206 0.002952 -0.000107 -0.002053 1Rh 2s -0.001282 -0.002662 0.001006 -0.017175 0.000154 0.010384 1Rh 3s 0.000029 0.001195 -0.000603 0.006949 -0.000536 -0.005784 1Rh 4s 0.006581 0.013603 -0.005146 0.087654 -0.000825 -0.052980 1Rh 5s -0.013331 -0.021850 0.007759 -0.142532 -0.000154 0.077279 1Rh 6s 0.011649 0.001074 0.000937 0.004946 0.004300 0.043510 1Rh 7s -0.070928 -0.051380 -0.026062 0.070501 0.020178 -0.546526 1Rh 8s 0.084329 0.043209 0.114047 0.318028 0.093458 0.010420 1Rh 1pz -0.001428 0.001221 -0.003177 0.003048 -0.004160 -0.000372 1Rh 1px -0.002594 -0.000125 -0.002722 -0.000820 -0.000605 0.000248 1Rh 1py 0.000393 0.005336 0.003120 0.000023 -0.002965 0.005078 1Rh 2pz 0.004446 -0.004293 0.011093 -0.010870 0.015386 0.001114 1Rh 2px 0.009170 0.000507 0.009751 0.002975 0.002435 -0.000190 1Rh 2py -0.001562 -0.018951 -0.011587 -0.000063 0.010209 -0.018057 1Rh 3pz 0.010287 0.002623 -0.004755 0.009439 -0.025211 0.003508 1Rh 3px -0.006027 -0.001719 -0.009413 -0.003651 -0.008119 -0.014634 1Rh 3py 0.004717 0.014639 0.020084 -0.000663 -0.001191 0.014088 1Rh 4pz -0.077515 0.016854 -0.056521 0.035724 0.000428 -0.022300 1Rh 4px -0.040692 0.003793 -0.028108 -0.004917 0.018082 0.062652 1Rh 4py -0.009039 0.070524 -0.006132 0.005786 -0.065995 0.067265 1Rh 5pz 0.164962 -0.014147 0.101250 -0.058804 -0.017766 0.046002 1Rh 5px 0.083443 -0.009372 0.045513 0.001042 -0.045211 -0.123792 1Rh 5py 0.018918 -0.123269 0.032759 -0.029234 0.123073 -0.106619 1Rh 6pz -0.004305 -0.518690 0.196734 -0.199844 0.499969 -0.398371 1Rh 6px -0.027371 -0.018635 0.219729 0.064133 0.375072 0.356165 1Rh 6py 0.113778 -0.274998 -0.491066 0.409790 0.156725 -1.072545 1Rh 1dz2 0.002534 0.006425 -0.001175 0.001501 -0.006321 0.006173 1Rh 1dxz -0.007507 -0.010816 -0.009826 0.004579 0.002291 -0.000800 1Rh 1dyz -0.023061 -0.018281 0.002573 -0.002625 0.003249 0.002502 1Rh 1dx2y2 0.004835 -0.008736 -0.002625 -0.010080 0.004833 0.004516 1Rh 1dxy -0.008276 -0.004438 -0.004779 0.002988 -0.012262 -0.006098 1Rh 2dz2 0.001777 -0.004351 0.001319 -0.001692 0.001007 0.001879 1Rh 2dxz -0.000609 0.000928 -0.000583 -0.001841 0.000431 0.001161 1Rh 2dyz 0.002710 -0.008052 -0.000545 0.000094 0.001592 0.002359 1Rh 2dx2y2 -0.001156 -0.000396 -0.001173 0.003071 0.000114 -0.000526 1Rh 2dxy -0.000049 -0.002444 -0.000466 0.001175 -0.001831 0.001430 1Rh 3dz2 -0.015409 0.001806 -0.002533 0.003402 0.012879 -0.025672 1Rh 3dxz 0.023132 0.025640 0.029488 -0.004400 -0.008311 -0.003013 1Rh 3dyz 0.049910 0.086490 -0.004795 0.006820 -0.016250 -0.017779 1Rh 3dx2y2 -0.008205 0.025898 0.012519 0.014114 -0.013717 -0.009973 1Rh 3dxy 0.022425 0.023268 0.015298 -0.013459 0.041790 0.010651 1Rh 4dz2 0.035839 -0.064325 0.017663 -0.023611 0.015735 0.030405 1Rh 4dxz -0.005925 0.012635 -0.006232 -0.026689 0.007067 0.017210 1Rh 4dyz 0.061296 -0.122461 -0.005823 0.002297 0.026352 0.039961 1Rh 4dx2y2 -0.014567 -0.007214 -0.018993 0.044658 -0.000608 -0.010772 1Rh 4dxy 0.007990 -0.038074 -0.007359 0.017201 -0.023480 0.019351 1Rh 5dz2 -0.241329 0.276205 -0.059888 0.067931 -0.110794 -0.094629 1Rh 5dxz -0.055014 -0.112790 -0.045761 0.107750 -0.012767 -0.065762 1Rh 5dyz -0.627759 0.369112 0.017585 -0.045314 -0.111226 -0.191385 1Rh 5dx2y2 0.045148 -0.011860 0.077786 -0.203299 0.054719 0.084959 1Rh 5dxy -0.181027 0.130470 -0.007972 -0.036619 -0.010231 -0.127636 1Rh 1f0 0.010608 -0.009885 0.057022 0.048027 -0.011461 0.010355 1Rh 1f+1 -0.118094 -0.026988 0.030642 -0.030004 0.039927 -0.067361 1Rh 1f-1 0.011536 -0.075398 -0.054547 -0.003012 -0.044347 -0.010136 1Rh 1f+2 0.057088 -0.010764 0.022434 0.015538 -0.100245 -0.020784 1Rh 1f-2 -0.116176 -0.077401 -0.046770 -0.024930 -0.074865 -0.143183 1Rh 1f+3 -0.032034 -0.003157 0.014784 -0.048917 0.015669 0.009268 1Rh 1f-3 0.012956 -0.008203 -0.071949 -0.014111 0.037793 0.060344 2C 1s -0.003175 -0.000891 0.001130 -0.000893 0.001994 -0.000458 2C 2s -0.016322 -0.001503 0.000835 -0.003483 0.005924 -0.001532 2C 3s 0.145383 0.076737 -0.093171 -0.078436 -0.049217 -0.021542 2C 4s -0.143092 -0.268658 0.492742 0.706887 -0.043858 0.082906 2C 5s 1.766106 0.460800 0.201894 -0.007353 1.244233 1.163835 2C 1pz -0.009982 0.083733 -0.061289 -0.028524 -0.030462 -0.008667 2C 1px -0.077517 -0.033048 -0.025928 -0.004401 0.000654 -0.075499 2C 1py 0.006547 -0.019706 -0.029123 -0.023866 -0.014897 -0.010543 2C 2pz -0.079039 -0.145322 0.764255 0.717855 -0.174796 0.313741 2C 2px 0.176581 0.014021 0.262725 0.195696 -0.106516 -0.098343 2C 2py 0.197424 0.009661 -0.711157 -0.145224 0.200161 -0.262701 2C 3pz 0.277684 0.197876 0.097150 0.029315 0.251955 0.341891 2C 3px -0.144072 0.054635 -0.092990 -0.052411 0.100836 -0.185843 2C 3py 0.246961 0.039679 -0.021900 -0.036249 0.211251 0.177801 2C 1dz2 -0.023097 -0.013348 0.107952 0.056000 -0.027639 0.035460 2C 1dxz 0.058597 -0.057309 0.093121 0.011195 -0.003956 0.030371 2C 1dyz 0.002822 -0.007902 -0.032410 -0.007016 0.007545 -0.035596 2C 1dx2y2 -0.023416 -0.013066 0.076792 0.045179 -0.019922 0.023036 2C 1dxy 0.054085 -0.014752 -0.035328 -0.023047 0.016420 -0.020280 2C 2dz2 0.010387 0.071971 0.287123 0.249343 -0.100991 0.229558 2C 2dxz -0.053422 0.197236 -0.509494 -0.064521 0.043816 -0.287607 2C 2dyz 0.091103 -0.168647 -0.129408 -0.055122 0.080083 -0.090818 2C 2dx2y2 0.043704 -0.057948 -0.071772 -0.000209 -0.004266 -0.367093 2C 2dxy -0.229070 0.127587 0.730291 0.543244 -0.271314 0.056551 2C 1f0 -0.035756 -0.025363 0.026963 0.020160 -0.005451 -0.026772 2C 1f+1 -0.027167 0.029367 0.053356 0.054878 -0.038297 -0.025348 2C 1f-1 0.026105 -0.005983 0.031841 0.028641 -0.011338 0.038286 2C 1f+2 0.017845 -0.007801 0.049111 0.005189 -0.000411 0.062978 2C 1f-2 0.097663 -0.043526 0.021662 -0.013796 0.025308 0.023090 2C 1f+3 -0.018615 -0.036714 -0.061090 -0.039939 0.019378 -0.020529 2C 1f-3 -0.073489 0.023760 -0.034079 0.007750 -0.019660 -0.076375 3C 1s -0.001503 -0.000194 0.002011 -0.000141 -0.002218 0.000683 3C 2s -0.001734 -0.003085 0.006965 -0.001916 -0.002332 0.001628 3C 3s -0.012735 -0.069599 -0.072114 -0.107578 0.155284 0.025040 3C 4s 0.230815 0.538772 0.048795 0.817740 -0.799934 -0.351694 3C 5s -1.042378 -0.327390 0.974790 -0.370553 -0.303819 -0.836788 3C 1pz 0.034546 0.044592 -0.028680 -0.018834 0.010993 -0.009439 3C 1px 0.047358 -0.049226 0.022423 -0.041829 0.069905 0.041480 3C 1py -0.007552 0.065062 0.026476 0.043968 -0.103854 0.035780 3C 2pz 0.037804 0.157140 0.153587 -0.126304 0.587426 -0.482876 3C 2px -0.336420 0.104756 -0.022632 0.057430 0.070012 -0.029937 3C 2py -0.328070 -0.304743 0.094220 -0.760849 0.900903 0.029750 3C 3pz -0.056765 0.118827 0.094585 -0.037723 -0.099125 -0.160194 3C 3px -0.136665 -0.186350 0.129150 -0.108954 0.099254 0.019060 3C 3py 0.172517 0.161076 -0.261720 0.079522 0.080885 0.297363 3C 1dz2 0.003100 -0.029143 0.014464 -0.036985 0.081053 -0.031409 3C 1dxz -0.071772 0.007631 0.000572 -0.036085 0.043008 -0.008994 3C 1dyz 0.003650 0.013015 -0.004169 0.002496 -0.056267 0.044461 3C 1dx2y2 -0.036644 -0.022418 0.013520 -0.052307 0.122065 -0.036941 3C 1dxy 0.036831 -0.038471 -0.000134 -0.006049 0.057992 -0.041238 3C 2dz2 -0.053922 0.205757 0.204268 -0.564395 0.586777 -0.127586 3C 2dxz 0.262907 0.055433 -0.060682 0.182610 -0.223195 -0.146681 3C 2dyz -0.039834 -0.133532 -0.009039 -0.129142 0.364523 -0.164611 3C 2dx2y2 -0.013389 -0.077548 -0.000571 0.053467 -0.242869 0.285114 3C 2dxy 0.016995 0.012523 -0.094874 0.111508 -0.447406 0.142984 3C 1f0 -0.037053 -0.073252 -0.012926 0.030418 -0.029772 0.002183 3C 1f+1 -0.006727 -0.049619 0.006325 -0.013977 0.049491 0.016947 3C 1f-1 -0.002075 0.040938 0.000577 0.015874 -0.077375 0.043655 3C 1f+2 0.005423 -0.041451 0.006661 -0.031744 0.063150 0.020659 3C 1f-2 0.033328 -0.000468 -0.005402 0.005640 -0.017569 -0.005476 3C 1f+3 -0.031844 -0.021995 -0.028272 0.055415 -0.058070 -0.007764 3C 1f-3 -0.040961 0.055974 0.008744 -0.034551 -0.004818 -0.024583 4C 1s -0.005558 0.007554 -0.003091 0.000551 -0.001405 -0.006991 4C 2s -0.020479 0.028876 -0.013566 0.000525 -0.004247 -0.023845 4C 3s 0.051417 -0.186497 0.227917 0.124392 0.076804 0.311922 4C 4s 0.668510 -0.419718 -0.515576 -0.783018 -0.000576 -0.614213 4C 5s -0.511555 -1.079480 -0.012942 -0.167763 0.107865 -0.177447 4C 1pz 0.114182 -0.101243 0.079014 -0.026780 0.054576 0.109265 4C 1px 0.017880 0.062680 0.026886 0.011070 0.019259 0.072699 4C 1py 0.059326 -0.030469 -0.018378 -0.077474 0.068176 0.064689 4C 2pz -0.240639 -0.212792 -0.109117 0.241721 -0.152077 -0.377720 4C 2px 0.667608 0.037132 0.002268 -0.030314 -0.034394 0.155967 4C 2py 0.128054 -0.069085 0.277781 0.401159 -0.258720 -0.101581 4C 3pz 0.471727 0.174958 0.187750 0.017224 1.142416 0.742738 4C 3px 0.011394 0.284684 0.194020 0.081631 0.168637 0.706826 4C 3py 0.259505 0.270576 -0.230572 -0.216379 0.799268 0.541820 4C 1dz2 0.035729 -0.023859 -0.045633 -0.026956 0.011227 -0.025083 4C 1dxz 0.018246 -0.034880 -0.010157 -0.018260 -0.007351 -0.000975 4C 1dyz 0.011030 -0.011645 0.062595 0.061475 -0.011485 -0.009830 4C 1dx2y2 -0.028766 0.029879 -0.065849 -0.027974 0.020909 -0.020802 4C 1dxy -0.032593 0.008508 -0.003143 -0.005762 0.017492 0.005449 4C 2dz2 -0.357706 -0.028833 0.187378 -0.069459 0.022598 0.119758 4C 2dxz -0.071770 0.220343 0.175471 0.073305 -0.046231 -0.070678 4C 2dyz -0.213730 0.038223 -0.285329 -0.374434 0.107560 -0.082550 4C 2dx2y2 0.199589 -0.023011 0.361842 0.405817 -0.199927 0.060391 4C 2dxy 0.289342 0.130452 -0.320551 -0.095615 -0.003646 -0.246795 4C 1f0 -0.021086 0.009984 0.138692 0.087350 -0.036790 0.061348 4C 1f+1 -0.032165 -0.009641 0.090055 0.057131 -0.000048 0.024777 4C 1f-1 -0.007954 -0.006252 0.025610 0.002475 0.010871 0.051472 4C 1f+2 0.008214 -0.031124 0.132635 0.055549 -0.051510 0.009479 4C 1f-2 0.018258 0.000350 0.011064 -0.006161 -0.000285 -0.013763 4C 1f+3 0.015202 -0.012029 -0.053859 -0.025294 0.006026 -0.021758 4C 1f-3 -0.018563 -0.008344 -0.046981 -0.026015 0.033608 -0.033889 5C 1s -0.004950 -0.008690 -0.001134 0.001942 0.002817 0.003933 5C 2s -0.015430 -0.032361 -0.002934 0.003869 0.014712 0.010960 5C 3s 0.097820 0.183278 0.116467 0.073856 -0.315222 -0.191332 5C 4s -0.075133 0.467044 -0.336761 -0.588347 0.893714 0.939275 5C 5s 0.687427 1.023630 0.106086 -0.053919 0.206347 0.197880 5C 1pz -0.024101 0.005866 0.048001 -0.089747 0.014358 -0.003190 5C 1px -0.002067 0.099041 0.021344 -0.019185 -0.009030 -0.065392 5C 1py 0.019242 -0.049768 -0.041680 0.038034 0.091051 -0.032061 5C 2pz 0.311189 0.237953 -0.179557 0.434840 -0.196979 0.061721 5C 2px -0.503525 0.038581 -0.233392 0.310403 -0.313303 0.059982 5C 2py -0.325081 -0.435128 0.131605 -0.313161 -0.097202 0.065302 5C 3pz -0.401927 -0.238657 0.668460 -0.406207 0.263857 -0.551892 5C 3px 0.027202 0.047393 0.416878 -0.089085 0.012991 -0.693598 5C 3py 0.443316 0.205750 -1.025545 0.230730 0.239519 0.719460 5C 1dz2 0.007826 0.000288 -0.019446 0.040097 -0.061313 0.025314 5C 1dxz 0.020401 0.034363 -0.032194 0.029192 -0.051397 0.024952 5C 1dyz 0.026883 -0.004379 0.003172 -0.061520 0.069256 0.009909 5C 1dx2y2 0.034026 -0.050397 0.011306 0.007798 0.003870 0.004990 5C 1dxy -0.014426 -0.026737 -0.005033 -0.021946 0.035078 0.009282 5C 2dz2 0.076381 -0.000775 0.129244 -0.193699 0.097986 -0.020058 5C 2dxz -0.410534 -0.227649 0.133798 -0.326462 0.343403 0.062212 5C 2dyz -0.011957 0.066825 -0.112297 0.435738 -0.471099 -0.036344 5C 2dx2y2 -0.028431 0.302076 -0.127040 0.133983 0.141940 -0.280149 5C 2dxy 0.279583 0.273943 0.038078 0.017726 0.008203 -0.161389 5C 1f0 0.003274 -0.003889 -0.012342 0.020967 -0.014525 -0.000775 5C 1f+1 -0.011171 -0.008654 0.040114 -0.044665 0.064221 -0.021286 5C 1f-1 0.012847 0.012387 -0.031261 0.090188 -0.167371 0.065242 5C 1f+2 -0.015024 0.009066 -0.000534 0.008212 0.017395 0.020640 5C 1f-2 0.040961 0.011217 -0.042734 0.040778 -0.081985 0.039765 5C 1f+3 0.003614 0.004858 0.007653 0.019034 -0.049736 0.034467 5C 1f-3 -0.021165 0.020827 -0.008484 -0.063081 0.082149 -0.004360 6C 1s 0.005052 -0.008644 0.001642 0.001874 -0.002739 0.004044 6C 2s 0.015720 -0.032304 0.004880 0.003654 -0.014282 0.011440 6C 3s -0.103635 0.177806 -0.122683 0.079147 0.304437 -0.198797 6C 4s 0.105462 0.493396 0.262205 -0.593761 -0.853653 0.952860 6C 5s -0.706645 1.021715 -0.183108 -0.058559 -0.218838 0.208667 6C 1pz -0.025543 -0.003613 0.054157 0.087009 0.012780 0.005076 6C 1px -0.000642 -0.099387 0.027936 0.016977 -0.006559 0.064924 6C 1py 0.020656 0.049288 -0.049342 -0.033812 0.092694 0.028412 6C 2pz 0.309836 -0.248134 -0.192645 -0.423674 -0.182898 -0.070430 6C 2px -0.505634 -0.052472 -0.244676 -0.307657 -0.312072 -0.030623 6C 2py -0.325851 0.432838 0.132831 0.300893 -0.118198 -0.057883 6C 3pz -0.405909 0.268990 0.661874 0.356925 0.257960 0.573492 6C 3px 0.032221 -0.021881 0.413749 0.062576 0.016176 0.697132 6C 3py 0.450109 -0.253797 -1.006723 -0.152409 0.246620 -0.759462 6C 1dz2 -0.007062 0.003632 0.019341 0.039854 0.061539 0.024358 6C 1dxz -0.019547 0.036228 0.029907 0.027636 0.050286 0.024735 6C 1dyz -0.027306 -0.005106 -0.004927 -0.062355 -0.066900 0.012054 6C 1dx2y2 -0.034180 -0.049812 -0.008370 0.007949 -0.002192 0.006350 6C 1dxy 0.014089 -0.027672 0.005947 -0.022540 -0.034224 0.009640 6C 2dz2 -0.077134 -0.014073 -0.141582 -0.190854 -0.096422 -0.013301 6C 2dxz 0.405763 -0.234006 -0.144357 -0.321157 -0.340332 0.055224 6C 2dyz 0.013608 0.073965 0.134883 0.434015 0.456981 -0.049825 6C 2dx2y2 0.029226 0.299166 0.141148 0.130463 -0.156194 -0.293901 6C 2dxy -0.280171 0.283118 -0.045301 0.012428 -0.019152 -0.151559 6C 1f0 0.002995 0.003455 -0.013647 -0.020301 -0.013899 0.000714 6C 1f+1 -0.011027 0.010693 0.041105 0.043787 0.064839 0.021220 6C 1f-1 0.011464 -0.016257 -0.031889 -0.090883 -0.166641 -0.062941 6C 1f+2 -0.014128 -0.009222 0.000061 -0.007918 0.018144 -0.020568 6C 1f-2 0.039494 -0.014441 -0.042789 -0.039276 -0.082729 -0.040242 6C 1f+3 0.003862 -0.005065 0.008364 -0.020010 -0.049692 -0.034565 6C 1f-3 -0.020958 -0.020447 -0.004893 0.064347 0.081748 0.003833 7C 1s 0.005267 0.007694 0.002829 0.000534 0.001190 -0.007032 7C 2s 0.019576 0.029459 0.012119 0.000455 0.003524 -0.023881 7C 3s -0.046718 -0.198578 -0.205754 0.125318 -0.074195 0.309664 7C 4s -0.664067 -0.398259 0.477420 -0.785074 0.022364 -0.594649 7C 5s 0.530184 -1.071382 0.059688 -0.156490 -0.078643 -0.164210 7C 1pz 0.114494 0.107149 0.076084 0.025478 0.050799 -0.110000 7C 1px 0.015690 -0.060276 0.030940 -0.012570 0.018843 -0.072479 7C 1py 0.059635 0.032290 -0.015062 0.080525 0.065838 -0.066783 7C 2pz -0.260050 0.185352 -0.155004 -0.240627 -0.143596 0.385154 7C 2px 0.669633 -0.044237 -0.000612 0.045087 -0.028306 -0.145625 7C 2py 0.123696 0.072561 0.237627 -0.414991 -0.248112 0.116414 7C 3pz 0.468917 -0.155385 0.223203 -0.026259 1.136337 -0.746034 7C 3px 0.001025 -0.275898 0.214518 -0.089888 0.165770 -0.699329 7C 3py 0.262371 -0.268727 -0.185522 0.233004 0.799504 -0.554384 7C 1dz2 -0.033054 -0.019174 0.046907 -0.030889 -0.011935 -0.024621 7C 1dxz -0.017005 -0.033837 0.011819 -0.019533 0.007756 -0.002018 7C 1dyz -0.013275 -0.014823 -0.054727 0.063653 0.010116 -0.011996 7C 1dx2y2 0.030583 0.033017 0.060335 -0.030674 -0.021331 -0.019642 7C 1dxy 0.032406 0.008902 0.002906 -0.006137 -0.017696 0.004843 7C 2dz2 0.340190 -0.059711 -0.197791 -0.053863 -0.012721 0.124433 7C 2dxz 0.056697 0.214839 -0.187293 0.087688 0.044554 -0.073246 7C 2dyz 0.208602 0.049677 0.244529 -0.378483 -0.096502 -0.073992 7C 2dx2y2 -0.192877 -0.026088 -0.339287 0.432048 0.193674 0.046515 7C 2dxy -0.283633 0.148118 0.307753 -0.112869 -0.002400 -0.240898 7C 1f0 -0.019434 -0.004117 0.133160 -0.095702 -0.037151 -0.056976 7C 1f+1 -0.031148 0.014267 0.085978 -0.062501 -0.000176 -0.024091 7C 1f-1 -0.008114 0.008005 0.028181 -0.005351 0.009265 -0.051242 7C 1f+2 0.009647 0.036243 0.126830 -0.063493 -0.052334 -0.006651 7C 1f-2 0.018516 0.000647 0.012381 0.005054 -0.000603 0.011914 7C 1f+3 0.014639 0.010225 -0.052112 0.028535 0.005837 0.018995 7C 1f-3 -0.018248 0.007642 -0.047580 0.029626 0.034298 0.031947 8C 1s 0.001500 -0.000279 -0.002204 0.000001 0.002173 0.000622 8C 2s 0.001587 -0.003446 -0.007440 -0.001549 0.002289 0.001618 8C 3s 0.014822 -0.064978 0.075330 -0.111229 -0.147650 0.027787 8C 4s -0.236890 0.529994 -0.031995 0.819205 0.752949 -0.367552 8C 5s 1.074370 -0.362271 -0.942914 -0.277864 0.317331 -0.895884 8C 1pz 0.035446 -0.044155 -0.027602 0.019941 0.010166 0.009218 8C 1px 0.047255 0.052911 0.021260 0.043021 0.068538 -0.045504 8C 1py -0.008430 -0.062526 0.030551 -0.045922 -0.100422 -0.033694 8C 2pz 0.041487 -0.141040 0.145841 0.132202 0.604298 0.477678 8C 2px -0.331838 -0.102512 -0.024884 -0.058714 0.081755 0.046195 8C 2py -0.325848 0.312543 0.117354 0.762393 0.877591 -0.038998 8C 3pz -0.059282 -0.112503 0.095376 0.028792 -0.096343 0.168834 8C 3px -0.138845 0.199270 0.122908 0.101389 0.096755 -0.015491 8C 3py 0.176836 -0.170061 -0.249383 -0.056308 0.085922 -0.308561 8C 1dz2 -0.003302 -0.031405 -0.012443 -0.037650 -0.079954 -0.029784 8C 1dxz 0.071139 0.009300 -0.003229 -0.036497 -0.044080 -0.010656 8C 1dyz -0.003449 0.014266 0.002009 0.003562 0.057489 0.043577 8C 1dx2y2 0.035152 -0.022287 -0.012475 -0.053147 -0.121234 -0.035600 8C 1dxy -0.036907 -0.039947 0.004302 -0.007378 -0.058205 -0.039532 8C 2dz2 0.045844 0.181394 -0.237281 -0.557235 -0.582477 -0.128867 8C 2dxz -0.261158 0.049806 0.075165 0.192255 0.235822 -0.142479 8C 2dyz 0.037520 -0.137606 0.020686 -0.129263 -0.354877 -0.159766 8C 2dx2y2 0.019092 -0.081883 -0.005628 0.055210 0.238888 0.281617 8C 2dxy -0.012516 0.033624 0.084568 0.114970 0.460605 0.145556 8C 1f0 -0.037880 0.070275 -0.017095 -0.030262 -0.030398 -0.002540 8C 1f+1 -0.005978 0.051693 0.004076 0.015743 0.050927 -0.018505 8C 1f-1 -0.003108 -0.040486 0.003984 -0.016703 -0.076474 -0.041701 8C 1f+2 0.006589 0.041793 0.006286 0.033050 0.061831 -0.022804 8C 1f-2 0.033790 -0.000370 -0.005542 -0.005872 -0.018235 0.005150 8C 1f+3 -0.031387 0.017222 -0.031014 -0.055010 -0.057222 0.008240 8C 1f-3 -0.040818 -0.057353 0.013091 0.032369 -0.005643 0.026777 9C 1s 0.003078 -0.001001 -0.001008 -0.000858 -0.001945 -0.000467 9C 2s 0.016086 -0.001738 -0.000759 -0.003363 -0.005715 -0.001469 9C 3s -0.145588 0.079423 0.075691 -0.080512 0.049271 -0.018007 9C 4s 0.159266 -0.267467 -0.394075 0.715409 0.028191 0.056010 9C 5s -1.772753 0.425462 -0.249292 -0.020238 -1.254893 1.170462 9C 1pz -0.007663 -0.084089 -0.050231 0.028925 -0.030389 0.008018 9C 1px -0.074691 0.033864 -0.026444 0.003804 0.000658 0.070358 9C 1py -0.000687 0.013650 -0.025765 0.023766 -0.015758 0.009739 9C 2pz -0.086908 0.163954 0.696727 -0.756662 -0.167803 -0.286511 9C 2px 0.177693 -0.008741 0.250126 -0.210067 -0.104514 0.099155 9C 2py 0.179431 -0.043428 -0.713833 0.197315 0.214873 0.248433 9C 3pz 0.283032 -0.184776 0.113730 -0.031919 0.251909 -0.340285 9C 3px -0.137744 -0.056464 -0.082522 0.051899 0.100914 0.180977 9C 3py 0.234139 -0.046621 -0.015046 0.042725 0.214467 -0.177734 9C 1dz2 0.022893 -0.015137 -0.101471 0.062433 0.028550 0.031081 9C 1dxz -0.059363 -0.061170 -0.088799 0.015221 0.005928 0.030245 9C 1dyz -0.003287 -0.006991 0.032339 -0.009019 -0.008492 -0.034472 9C 1dx2y2 0.024302 -0.014347 -0.075295 0.051680 0.021080 0.022065 9C 1dxy -0.054433 -0.016824 0.035322 -0.026750 -0.016892 -0.017869 9C 2dz2 -0.021250 0.039512 -0.283740 0.263535 0.097559 0.220981 9C 2dxz 0.069182 0.234005 0.490106 -0.087423 -0.053584 -0.275250 9C 2dyz -0.078636 -0.150133 0.153252 -0.072308 -0.082230 -0.083782 9C 2dx2y2 -0.057962 -0.070547 0.103986 -0.027033 -0.010253 -0.348486 9C 2dxy 0.206790 0.092430 -0.698313 0.591955 0.266466 0.027876 9C 1f0 -0.037742 0.021470 0.022497 -0.021787 -0.004987 0.026371 9C 1f+1 -0.022954 -0.023002 0.050219 -0.058000 -0.036768 0.026786 9C 1f-1 0.024844 0.007403 0.029765 -0.030835 -0.011813 -0.034678 9C 1f+2 0.015098 0.010295 0.049071 -0.008555 -0.002914 -0.060363 9C 1f-2 0.095093 0.042516 0.019120 0.014869 0.024399 -0.024631 9C 1f+3 -0.020971 0.031116 -0.059002 0.043253 0.018990 0.015307 9C 1f-3 -0.073457 -0.024305 -0.035442 -0.006172 -0.017923 0.075185 10H 1s -0.128856 0.054225 -0.029426 0.076614 -0.042825 -0.191557 10H 2s -0.050265 0.143238 -0.143966 -0.081742 0.053043 0.453361 10H 3s -0.185089 -0.003237 0.046625 0.083058 -0.140573 -0.112369 10H 1pz -0.028104 0.088808 0.158297 0.058435 -0.038375 0.283844 10H 1px 0.039453 -0.091176 0.102077 -0.000063 0.000888 0.042287 10H 1py 0.076966 -0.119048 -0.330303 -0.302790 0.155529 0.071793 11H 1s 0.181233 -0.140713 0.068556 -0.073855 0.067362 0.129222 11H 2s -0.481815 0.163278 0.838774 0.554397 -0.363627 0.068193 11H 3s -0.204586 -0.013513 -0.089339 -0.120911 0.033126 -0.061181 11H 1pz -0.111902 0.137319 0.409363 0.265892 -0.158859 0.132939 11H 1px -0.078421 -0.088015 0.084113 0.056773 -0.027585 -0.179488 11H 1py -0.019452 0.000164 -0.056193 0.043520 -0.012518 -0.165639 12H 1s 0.144965 0.087865 0.035884 0.022667 -0.008435 0.077725 12H 2s -0.046468 -0.123564 -1.029951 -0.554098 0.258460 -0.549162 12H 3s -0.173111 0.067550 0.032032 0.017674 -0.063866 -0.006990 12H 1pz -0.022234 -0.028013 -0.179508 -0.117340 0.063461 -0.108742 12H 1px -0.056141 -0.009297 0.012919 0.096360 -0.049737 -0.255880 12H 1py 0.081655 -0.032954 -0.476009 -0.298923 0.144599 -0.131589 13H 1s 0.021240 -0.135972 0.011300 0.048487 0.060859 0.025549 13H 2s 0.311453 0.157063 -0.003917 -0.094432 0.237494 -0.412561 13H 3s 0.147087 0.016060 -0.062456 0.090120 -0.046992 0.018809 13H 1pz 0.088372 0.122390 0.107878 -0.276656 0.319048 -0.141406 13H 1px -0.043119 0.083583 0.082454 -0.190905 0.097874 0.050631 13H 1py -0.048628 0.015480 0.066027 -0.071812 0.142036 0.078623 14H 1s -0.149962 -0.029367 -0.058051 0.061337 -0.074311 -0.069256 14H 2s -0.088110 0.001767 0.224858 -0.585587 1.020256 -0.047974 14H 3s -0.000999 -0.062447 -0.088012 0.060988 -0.059776 -0.003858 14H 1pz -0.027706 0.116587 0.107057 -0.330768 0.388118 -0.122381 14H 1px -0.090727 -0.096004 0.028736 -0.071818 0.221790 0.037197 14H 1py -0.003411 0.016735 -0.075047 0.119347 -0.175750 -0.013530 15H 1s 0.024837 0.211221 0.038349 -0.064046 -0.122817 0.054593 15H 2s 0.118891 -0.393717 -0.197703 0.513918 -0.684328 0.363974 15H 3s 0.081816 -0.000398 0.081866 -0.112817 0.091145 -0.022976 15H 1pz -0.016479 -0.030490 -0.035738 0.061317 0.033817 -0.076192 15H 1px 0.005572 -0.070581 0.053553 -0.005378 0.059956 0.126653 15H 1py -0.028965 0.142754 0.120919 -0.270993 0.365252 -0.096017 16H 1s 0.308410 -0.262259 0.047255 -0.006842 0.032400 0.129096 16H 2s -1.006483 0.842217 -0.114925 0.047499 -0.066801 -0.477738 16H 3s 0.447255 -0.332721 0.095249 0.039989 0.047262 0.039176 16H 1pz -0.405250 0.322582 -0.020584 0.070868 0.008123 -0.227304 16H 1px 0.081442 -0.144613 0.066315 0.076947 0.052474 -0.224607 16H 1py -0.183837 0.149044 -0.060027 -0.079745 -0.026059 0.235099 17H 1s -0.228569 0.287486 -0.044078 -0.013363 -0.001654 0.138712 17H 2s 0.764128 -0.929045 0.162281 0.088481 0.050283 -0.476976 17H 3s -0.346585 0.378878 -0.024006 0.011780 0.013644 0.053612 17H 1pz -0.174738 0.136710 -0.082586 -0.136846 -0.058589 0.343571 17H 1px -0.276584 0.317044 -0.035104 0.002693 -0.000476 -0.009873 17H 1py 0.244049 -0.201920 -0.004704 -0.048050 -0.007253 0.187554 18H 1s 0.229601 0.287874 0.022944 -0.012286 -0.002117 0.140400 18H 2s -0.770106 -0.937748 -0.093759 0.086167 -0.042443 -0.482426 18H 3s 0.347724 0.374634 0.000413 0.013770 -0.020110 0.057565 18H 1pz -0.188143 -0.154021 -0.062795 0.137527 -0.065553 -0.338898 18H 1px -0.276173 -0.318350 -0.015064 -0.005232 0.005101 0.010915 18H 1py 0.238232 0.192469 -0.012182 0.052465 -0.012997 -0.194283 19H 1s -0.308721 -0.262638 -0.032155 -0.007941 -0.028765 0.131206 19H 2s 1.005159 0.840212 0.070170 0.052049 0.053634 -0.485454 19H 3s -0.447861 -0.338220 -0.072522 0.039088 -0.045472 0.043468 19H 1pz -0.399030 -0.314596 -0.007607 -0.074842 0.016889 0.233873 19H 1px 0.089656 0.154877 0.050010 -0.078085 0.055852 0.224205 19H 1py -0.195487 -0.161741 -0.042366 0.077033 -0.028415 -0.224326 20H 1s -0.022965 0.204299 -0.054814 -0.058437 0.122668 0.049652 20H 2s -0.115941 -0.366283 0.226243 0.510198 0.689550 0.366801 20H 3s -0.085808 -0.011791 -0.089260 -0.110599 -0.088223 -0.019220 20H 1pz -0.015892 0.026813 -0.043678 -0.057213 0.036279 0.074428 20H 1px 0.005842 0.077134 0.050430 0.005332 0.060900 -0.130912 20H 1py -0.025982 -0.126234 0.136689 0.269921 0.368197 0.094430 21H 1s 0.150559 -0.014383 0.061227 0.060999 0.074169 -0.073458 21H 2s 0.077423 -0.033149 -0.239351 -0.592512 -1.025050 -0.040105 21H 3s -0.002786 -0.054907 0.090123 0.054525 0.058475 -0.001833 21H 1pz -0.023577 -0.099171 0.122880 0.327634 0.386883 0.123376 21H 1px -0.089079 0.099570 0.024157 0.074675 0.223449 -0.040225 21H 1py -0.005088 -0.027883 -0.079082 -0.118336 -0.176918 0.014473 22H 1s -0.019418 -0.142612 0.001017 0.046207 -0.062874 0.029280 22H 2s -0.316375 0.158827 0.006941 -0.093630 -0.226922 -0.403818 22H 3s -0.149620 0.015464 0.065516 0.082757 0.042236 0.023433 22H 1pz 0.091384 -0.107775 0.121515 0.274321 0.315830 0.137319 22H 1px -0.042019 -0.075348 0.098903 0.185546 0.094087 -0.049478 22H 1py -0.048295 -0.002887 0.068811 0.071470 0.147569 -0.078132 23H 1s -0.156080 0.069901 -0.037483 0.019169 0.005512 0.073541 23H 2s 0.079537 -0.061253 1.003057 -0.615506 -0.262157 -0.506346 23H 3s 0.170195 0.061434 -0.033686 0.019807 0.063299 -0.013621 23H 1pz -0.028607 0.010039 -0.173612 0.125140 0.061291 0.099565 23H 1px -0.048735 0.019176 0.005655 -0.097920 -0.043847 0.242383 23H 1py 0.064586 0.002865 -0.457953 0.326178 0.143624 0.121766 24H 1s -0.168730 -0.130537 -0.064705 -0.072596 -0.061500 0.125978 24H 2s 0.442743 0.107661 -0.817239 0.615085 0.364163 0.053962 24H 3s 0.208854 -0.002096 0.079071 -0.120610 -0.027049 -0.061252 24H 1pz -0.093915 -0.108053 0.404305 -0.292966 -0.157433 -0.120978 24H 1px -0.076352 0.088305 0.076374 -0.065104 -0.028797 0.166960 24H 1py -0.021578 0.000575 -0.058392 -0.040531 -0.008043 0.159072 25H 1s 0.126013 0.059380 0.033307 0.078051 0.037456 -0.187034 25H 2s 0.065448 0.151425 0.110646 -0.079779 -0.045215 0.435454 25H 3s 0.186468 0.000625 -0.036394 0.086547 0.138683 -0.111868 25H 1pz -0.021503 -0.071786 0.167822 -0.070251 -0.041630 -0.271527 25H 1px 0.044966 0.099672 0.099397 -0.006679 -0.003325 -0.043685 25H 1py 0.058659 0.091785 -0.312204 0.320700 0.147297 -0.078210 26O 1s -0.000206 -0.000261 -0.002033 0.002279 -0.005301 0.001825 26O 2s 0.000850 -0.003905 -0.004575 0.007403 -0.016592 0.005346 26O 3s -0.007977 0.067169 -0.005476 -0.038104 0.067489 -0.032504 26O 4s 0.082011 -0.290046 0.182736 -0.033198 0.146732 0.092190 26O 5s -1.551855 0.413486 -0.266053 -0.031742 -0.417211 0.025377 26O 1pz -0.049123 0.079421 -0.059366 0.037007 -0.018441 -0.008750 26O 1px 0.002246 0.018046 -0.048859 -0.049876 0.063286 0.018390 26O 1py -0.067123 0.040487 0.088277 0.045312 -0.016652 0.011917 26O 2pz 0.143646 -0.119161 0.052441 -0.039961 0.017118 -0.004690 26O 2px 0.159264 0.037131 -0.025869 0.079906 -0.164042 -0.143282 26O 2py 0.160612 -0.043808 -0.071997 -0.019247 -0.027059 -0.043097 26O 3pz -0.187532 -0.134990 -0.097185 -0.041517 -0.120164 0.416362 26O 3px 0.627128 -0.216975 -0.051294 -0.221488 0.268310 0.341713 26O 3py 0.023449 -0.184639 0.347680 0.178255 -0.029679 0.431675 26O 1dz2 -0.001471 -0.000345 -0.004518 -0.003884 0.002553 0.005796 26O 1dxz -0.000314 0.002681 -0.003254 -0.000883 0.002632 0.001558 26O 1dyz -0.004538 0.003270 0.000557 0.000964 0.001722 0.008477 26O 1dx2y2 -0.003431 0.001081 -0.002799 0.000673 0.000313 -0.005129 26O 1dxy -0.002979 0.002766 -0.002922 -0.001743 0.001823 -0.003160 26O 2dz2 0.039451 -0.067265 -0.093742 -0.120567 0.050691 0.092058 26O 2dxz -0.189610 0.008428 -0.021227 -0.054242 0.015390 -0.044422 26O 2dyz -0.174141 -0.026722 0.077724 0.037239 -0.017696 0.095945 26O 2dx2y2 -0.133122 0.054169 0.089757 0.119668 -0.049688 -0.017526 26O 2dxy -0.172059 0.061745 -0.229206 -0.107909 0.026263 -0.146371 26O 1f0 0.002205 0.000077 0.001175 -0.001065 0.001689 0.000122 26O 1f+1 0.003393 -0.003974 -0.004676 -0.003968 0.003952 -0.000489 26O 1f-1 0.004617 -0.006746 -0.003596 -0.005519 0.000368 0.000910 26O 1f+2 -0.002466 0.003145 -0.005974 -0.002390 -0.000339 -0.002948 26O 1f-2 0.001532 -0.002182 0.006608 0.004248 -0.004787 -0.001390 26O 1f+3 -0.002657 -0.001698 0.007327 0.001457 0.000617 0.004806 26O 1f-3 -0.000050 -0.003143 0.008844 0.004089 0.003509 0.009139 27O 1s 0.004878 0.000326 -0.004315 0.001654 0.003533 -0.004170 27O 2s 0.014366 0.002910 -0.013592 0.005170 0.009220 -0.011814 27O 3s -0.064165 -0.035862 0.050193 -0.017303 -0.020780 0.041454 27O 4s -0.048745 0.120994 0.147821 -0.098751 -0.142864 0.120847 27O 5s 0.718419 -0.642025 -0.113051 -0.024967 0.302422 -0.124591 27O 1pz 0.094049 -0.029147 -0.037283 0.044371 -0.062987 -0.010057 27O 1px -0.008514 0.017790 0.038263 -0.027281 0.006184 -0.007258 27O 1py -0.046223 0.049674 -0.007570 -0.035226 -0.063120 0.065290 27O 2pz -0.092402 0.056707 0.014342 -0.033189 0.020985 0.015188 27O 2px -0.069783 0.004083 -0.185227 0.111270 0.038549 -0.014085 27O 2py 0.088502 -0.095587 0.029284 0.025987 0.059146 -0.053444 27O 3pz 0.518437 0.133063 -0.030933 0.219729 -0.249135 -0.118901 27O 3px -0.193730 0.548499 0.107491 0.008725 -0.150703 0.080634 27O 3py -0.398953 -0.416102 0.095155 0.018609 -0.131017 0.195407 27O 1dz2 -0.000138 0.005736 -0.000216 0.002997 -0.006565 0.001554 27O 1dxz -0.001349 -0.002144 0.001140 -0.003130 0.000231 -0.001743 27O 1dyz -0.005673 0.000140 -0.003656 0.000046 -0.000280 0.003032 27O 1dx2y2 -0.000838 -0.003841 0.001211 0.003058 -0.003166 0.004022 27O 1dxy -0.001777 0.008039 -0.003041 0.000945 -0.003615 0.001294 27O 2dz2 -0.024215 0.115995 -0.020337 0.100763 -0.172467 0.039414 27O 2dxz -0.163481 -0.033799 0.049668 -0.161497 0.180889 0.007643 27O 2dyz -0.100473 -0.062733 -0.020306 -0.022458 0.036226 0.039365 27O 2dx2y2 0.015267 -0.205148 0.019080 0.067217 -0.019213 0.009851 27O 2dxy -0.025305 0.153697 -0.026838 0.014644 0.006010 -0.091823 27O 1f0 -0.001510 -0.002963 0.004066 0.000981 0.004762 -0.002176 27O 1f+1 0.002496 0.004532 0.001127 0.005521 -0.012219 0.001065 27O 1f-1 -0.000981 -0.000893 -0.000210 0.002342 -0.002029 0.000672 27O 1f+2 0.003372 0.000387 0.000273 0.003579 -0.002080 -0.000304 27O 1f-2 0.000764 -0.004992 0.005364 -0.005980 0.008836 -0.004433 27O 1f+3 -0.000622 0.009134 0.005400 -0.004717 0.001285 -0.004207 27O 1f-3 0.000970 -0.002852 -0.004273 0.005692 -0.002053 0.000298 28O 1s 0.002816 -0.001403 -0.001585 0.001337 -0.003479 -0.001440 28O 2s 0.009235 -0.004575 -0.003622 0.004827 -0.011412 -0.002976 28O 3s -0.041579 0.017851 0.000408 -0.032322 0.053945 -0.011707 28O 4s -0.096096 0.048396 0.063807 0.016816 0.031408 0.090846 28O 5s 0.514217 0.385534 -0.017023 0.003317 -0.274622 -0.003522 28O 1pz 0.016869 -0.001719 0.052068 0.062967 -0.001722 -0.004288 28O 1px 0.055530 0.060962 0.049833 0.076914 -0.057488 0.007693 28O 1py 0.085833 0.043275 -0.108888 -0.049118 0.000165 -0.100870 28O 2pz -0.078397 0.020672 -0.085674 -0.015299 -0.052716 -0.044477 28O 2px -0.033807 -0.017115 -0.021823 -0.088095 0.113465 0.036336 28O 2py -0.086297 -0.012199 0.078463 0.069703 -0.028087 0.079705 28O 3pz 0.580403 -0.787544 0.088036 -0.053754 0.162903 -0.155364 28O 3px 0.381991 0.354027 0.027565 0.165163 -0.295532 -0.014181 28O 3py 0.473950 -0.372529 0.091483 -0.018502 0.115813 -0.055671 28O 1dz2 -0.001229 0.002575 -0.002954 -0.001499 -0.000275 -0.001204 28O 1dxz 0.005967 -0.007738 0.001052 -0.001991 -0.001994 0.001188 28O 1dyz 0.000124 -0.002274 -0.003727 -0.005144 0.005349 -0.002898 28O 1dx2y2 0.001702 0.005810 0.000675 0.003527 -0.002022 0.002719 28O 1dxy 0.004753 -0.003533 0.001797 0.002656 0.000579 0.002896 28O 2dz2 -0.019230 -0.015316 -0.158460 -0.151467 0.061889 -0.000669 28O 2dxz 0.075689 -0.257963 -0.030776 -0.064925 0.017228 -0.041961 28O 2dyz 0.016202 -0.107845 0.074913 -0.034006 0.068600 0.080375 28O 2dx2y2 0.114470 0.179035 -0.064596 0.057343 -0.044117 -0.025474 28O 2dxy 0.155956 -0.078207 0.019671 0.054998 0.009051 -0.016620 28O 1f0 0.000580 -0.001854 -0.002506 -0.002900 0.003355 -0.000447 28O 1f+1 -0.000663 -0.000736 0.005486 0.001683 0.002140 0.006489 28O 1f-1 -0.002552 0.003283 0.003121 0.004264 -0.005355 -0.000638 28O 1f+2 -0.005199 0.002692 0.003120 0.001689 -0.003039 -0.005543 28O 1f-2 -0.002550 0.001939 -0.000811 -0.003836 0.002838 0.005782 28O 1f+3 -0.002680 0.003994 -0.014542 -0.007794 0.002985 -0.005865 28O 1f-3 -0.002726 -0.001297 0.004309 0.003795 0.000066 0.005478 29O 1s 0.002141 0.000822 -0.000006 0.002158 0.000885 0.012426 29O 2s 0.007362 0.002688 -0.000141 0.005895 0.002894 0.042110 29O 3s -0.054776 -0.018366 0.003927 -0.010262 -0.016321 -0.289825 29O 4s 0.090834 0.020900 -0.012202 -0.081958 0.032791 0.434729 29O 5s 0.078304 0.062683 -0.050152 0.019404 -0.102713 0.414548 29O 1pz 0.275409 -0.282137 0.064973 0.031197 0.045599 -0.054696 29O 1px 0.069837 -0.111990 -0.016247 -0.075763 -0.021864 0.079739 29O 1py -0.016621 0.032828 0.016822 0.051537 0.024376 -0.066638 29O 2pz -0.973192 0.892016 -0.163395 -0.048964 -0.076710 0.024849 29O 2px -0.292235 0.353499 -0.013531 0.084970 0.011115 -0.021154 29O 2py 0.047359 -0.098350 -0.007908 -0.020984 -0.020061 -0.034206 29O 3pz 0.223915 -0.110143 0.056920 0.087007 -0.021443 -0.135209 29O 3px 0.014154 -0.088620 -0.094170 -0.236031 -0.056731 0.186709 29O 3py -0.049044 -0.021972 0.105829 0.113601 0.041670 -0.451367 29O 1dz2 -0.006739 0.007730 -0.001823 -0.001066 -0.000686 0.001171 29O 1dxz 0.005743 -0.007331 0.000058 -0.001812 0.000888 0.001492 29O 1dyz -0.014954 0.011660 -0.001563 -0.000885 -0.000747 0.000705 29O 1dx2y2 0.002062 -0.000709 0.000857 0.004062 0.000667 -0.002789 29O 1dxy -0.006568 0.005940 -0.001312 0.001111 -0.000467 -0.001685 29O 2dz2 -0.001512 0.027988 0.036949 0.092560 0.022761 -0.310751 29O 2dxz -0.033744 -0.065451 0.033280 0.031567 0.041457 -0.197731 29O 2dyz 0.047221 -0.084118 -0.012543 -0.058244 -0.015203 0.160422 29O 2dx2y2 0.011243 -0.013350 0.046406 0.104280 0.021702 -0.168367 29O 2dxy 0.011265 -0.012859 0.036684 0.099469 0.044036 -0.215992 29O 1f0 -0.009540 0.004398 0.000557 0.004782 -0.000017 -0.016982 29O 1f+1 -0.003911 0.005151 -0.001441 -0.002718 -0.000589 0.008181 29O 1f-1 -0.033744 0.026634 -0.003601 0.003573 -0.001116 -0.016952 29O 1f+2 0.011922 -0.010234 0.001162 -0.001891 0.000748 0.004185 29O 1f-2 0.039685 -0.042389 0.007732 0.004232 0.001845 -0.012912 29O 1f+3 -0.012482 0.010893 -0.000971 -0.001273 -0.000429 -0.002148 29O 1f-3 -0.019149 0.020677 -0.002238 -0.000561 0.000324 0.001930 30O 1s 0.000402 0.002191 -0.004088 0.000579 0.003548 -0.001386 30O 2s 0.001297 0.007099 -0.013699 0.003220 0.008483 -0.005011 30O 3s 0.006036 -0.023717 0.069573 -0.035398 -0.005489 0.035224 30O 4s -0.063696 -0.122883 0.006884 0.093568 -0.157415 -0.026758 30O 5s -0.916343 -0.487130 -0.203607 -0.141754 -0.091705 0.278703 30O 1pz -0.077878 -0.020947 0.034601 -0.086573 0.094587 -0.014040 30O 1px -0.040002 -0.008064 -0.060116 0.043126 -0.009865 -0.030817 30O 1py -0.007130 0.039902 0.009070 -0.053370 0.036414 -0.008021 30O 2pz 0.157712 0.071183 -0.060328 0.104391 -0.038008 -0.050909 30O 2px -0.073319 -0.065791 0.106492 -0.036887 -0.049209 0.041717 30O 2py -0.119914 -0.101802 0.043412 0.021337 -0.095319 0.084225 30O 3pz 0.043154 0.455272 0.080628 -0.128359 -0.008583 0.369476 30O 3px -0.425680 -0.123440 -0.250015 0.159728 -0.212111 -0.088084 30O 3py 0.078234 -0.514336 -0.063825 0.140767 0.019333 -0.329851 30O 1dz2 0.004301 0.000542 -0.001096 -0.002284 0.000715 0.001575 30O 1dxz 0.001687 0.003356 -0.000845 -0.001334 -0.000201 0.004072 30O 1dyz 0.000450 -0.000784 -0.004316 0.005158 -0.006674 -0.001637 30O 1dx2y2 0.000463 -0.000404 -0.003234 0.003304 -0.005838 -0.003997 30O 1dxy 0.002159 -0.004345 -0.000705 0.004493 -0.000668 -0.002579 30O 2dz2 0.129544 -0.011478 -0.023398 0.019026 -0.060628 0.071912 30O 2dxz 0.085931 0.110112 0.017490 -0.028115 -0.032592 0.100050 30O 2dyz 0.092251 -0.007879 -0.044858 0.030478 0.042208 -0.033245 30O 2dx2y2 0.061449 0.004959 -0.096317 0.186657 -0.167156 -0.052038 30O 2dxy -0.065275 -0.154731 -0.028367 0.075794 -0.004927 -0.045804 30O 1f0 -0.002031 0.001061 0.002907 0.004826 -0.013200 0.005209 30O 1f+1 0.003041 0.001813 0.000189 0.001584 -0.000605 0.000793 30O 1f-1 0.001764 -0.000350 -0.001489 -0.003776 0.001691 0.000274 30O 1f+2 0.001315 -0.000473 0.004102 -0.006907 0.009763 -0.000402 30O 1f-2 0.001052 0.001792 -0.004293 0.004954 -0.002908 0.004815 30O 1f+3 0.007296 -0.001409 0.001110 0.003799 -0.006427 -0.001469 30O 1f-3 0.003423 -0.000759 -0.000735 0.001378 0.001266 0.003179 31O 1s -0.000449 0.002445 0.004098 0.000327 -0.003590 -0.001219 31O 2s -0.001406 0.007978 0.013740 0.002398 -0.008674 -0.004574 31O 3s -0.005860 -0.028359 -0.070461 -0.031555 0.007185 0.034844 31O 4s 0.066455 -0.125557 -0.001428 0.096095 0.154640 -0.038103 31O 5s 0.902388 -0.473578 0.212305 -0.151001 0.103130 0.270232 31O 1pz -0.078384 0.021991 0.035676 0.085330 0.095653 0.016677 31O 1px -0.040224 0.003489 -0.065771 -0.040315 -0.007607 0.032612 31O 1py -0.007569 -0.039230 0.015664 0.053797 0.038006 0.007902 31O 2pz 0.158311 -0.074459 -0.063493 -0.100788 -0.037235 0.044557 31O 2px -0.072736 0.074368 0.109822 0.029758 -0.051359 -0.036922 31O 2py -0.119292 0.101028 0.040442 -0.026043 -0.098983 -0.079529 31O 3pz 0.037570 -0.462891 0.119533 0.123752 -0.005749 -0.367572 31O 3px -0.418378 0.104360 -0.270131 -0.148998 -0.207811 0.104521 31O 3py 0.084934 0.525851 -0.104249 -0.128607 0.020194 0.325178 31O 1dz2 -0.004256 0.000282 0.000860 -0.002502 -0.000773 0.001663 31O 1dxz -0.001726 0.003346 0.000412 -0.001415 0.000246 0.004068 31O 1dyz -0.000280 -0.000347 0.004594 0.004986 0.006635 -0.001735 31O 1dx2y2 -0.000337 -0.000299 0.003540 0.003090 0.005647 -0.004107 31O 1dxy -0.002242 -0.004304 0.001239 0.004383 0.000586 -0.002466 31O 2dz2 -0.127312 -0.017217 0.021167 0.017092 0.063816 0.075700 31O 2dxz -0.085507 0.111408 -0.030040 -0.028292 0.032655 0.101016 31O 2dyz -0.089595 -0.006909 0.051531 0.027664 -0.043514 -0.034428 31O 2dx2y2 -0.059011 0.006973 0.112627 0.182894 0.161855 -0.057481 31O 2dxy 0.063246 -0.152949 0.041270 0.073361 0.003779 -0.046102 31O 1f0 -0.002137 -0.001132 0.002997 -0.005180 -0.013215 -0.004800 31O 1f+1 0.003068 -0.001699 0.000126 -0.001527 -0.000533 -0.000904 31O 1f-1 0.001747 0.000418 -0.001350 0.003897 0.001546 -0.000424 31O 1f+2 0.001369 0.000523 0.004348 0.006826 0.009657 0.000246 31O 1f-2 0.000965 -0.002068 -0.004365 -0.004780 -0.002840 -0.004968 31O 1f+3 0.007230 0.001296 0.000817 -0.003866 -0.006509 0.001390 31O 1f-3 0.003528 0.000678 -0.000856 -0.001339 0.001104 -0.003423 32O 1s -0.002186 0.000771 -0.000017 0.002183 -0.001049 0.012312 32O 2s -0.007513 0.002546 -0.000034 0.005969 -0.003376 0.041784 32O 3s 0.055432 -0.018388 -0.000594 -0.010458 0.018013 -0.289089 32O 4s -0.092569 0.022733 -0.000268 -0.082094 -0.030942 0.437786 32O 5s -0.065415 0.072353 0.048426 0.016654 0.105187 0.410219 32O 1pz 0.277169 0.285205 0.041915 -0.028528 0.042291 0.050358 32O 1px 0.067046 0.107489 -0.017880 0.077459 -0.028525 -0.077254 32O 1py -0.008654 -0.021031 0.015782 -0.052403 0.028416 0.064795 32O 2pz -0.978451 -0.900216 -0.102099 0.044429 -0.067095 -0.021279 32O 2px -0.288605 -0.348452 0.002250 -0.087159 0.021000 0.015490 32O 2py 0.023610 0.072361 -0.015329 0.022126 -0.023884 0.038574 32O 3pz 0.226367 0.113889 0.039856 -0.082683 -0.019881 0.124656 32O 3px 0.013699 0.076466 -0.079354 0.239744 -0.070204 -0.185696 32O 3py -0.039748 0.037614 0.093588 -0.117527 0.047704 0.451592 32O 1dz2 0.006221 0.007423 0.001206 -0.001061 0.000624 0.001164 32O 1dxz -0.006052 -0.007566 0.000157 -0.001817 -0.000746 0.001486 32O 1dyz 0.015238 0.011969 0.000824 -0.000776 0.000665 0.000617 32O 1dx2y2 -0.002373 -0.001042 -0.000473 0.004086 -0.000864 -0.002674 32O 1dxy 0.006315 0.005835 0.001042 0.001149 0.000328 -0.001660 32O 2dz2 -0.000802 0.023511 -0.030805 0.095853 -0.030379 -0.316547 32O 2dxz 0.031102 -0.069217 -0.024095 0.030593 -0.041611 -0.192914 32O 2dyz -0.044511 -0.081136 0.009028 -0.051769 0.017627 0.139734 32O 2dx2y2 -0.008385 -0.015251 -0.034001 0.104277 -0.025219 -0.164093 32O 2dxy -0.015053 -0.021263 -0.028303 0.102849 -0.051279 -0.221972 32O 1f0 -0.007620 -0.002754 0.000404 -0.004585 0.000293 0.016046 32O 1f+1 -0.005026 -0.006566 -0.001023 0.003007 -0.000733 -0.009039 32O 1f-1 -0.033466 -0.026063 -0.002297 -0.003932 -0.000553 0.017977 32O 1f+2 0.012148 0.010075 0.000737 0.002103 0.000580 -0.005024 32O 1f-2 0.040656 0.043294 0.004741 -0.004029 0.001546 0.012549 32O 1f+3 -0.010774 -0.009095 -0.000043 0.001091 -0.000287 0.002633 32O 1f-3 -0.019597 -0.020837 -0.000919 0.000414 0.000587 -0.001736 33O 1s -0.002727 -0.001329 0.001727 0.001335 0.003446 -0.001332 33O 2s -0.008987 -0.004400 0.004219 0.004826 0.011303 -0.002770 33O 3s 0.041242 0.017905 -0.004998 -0.032301 -0.053229 -0.010976 33O 4s 0.089755 0.047309 -0.058635 0.017202 -0.032833 0.080789 33O 5s -0.531416 0.370336 -0.004970 -0.013106 0.269430 0.012944 33O 1pz 0.016920 0.003671 0.051080 -0.066940 -0.001053 0.003299 33O 1px 0.054915 -0.060509 0.048044 -0.079096 -0.054943 -0.005420 33O 1py 0.085116 -0.046164 -0.105699 0.057496 0.003094 0.096251 33O 2pz -0.083621 -0.029102 -0.084802 0.016712 -0.052176 0.047793 33O 2px -0.030009 0.017744 -0.017738 0.091322 0.111252 -0.038124 33O 2py -0.087909 0.012003 0.075560 -0.077637 -0.029996 -0.074146 33O 3pz 0.571660 0.800207 0.042327 0.053603 0.148578 0.130873 33O 3px 0.388295 -0.353487 0.036157 -0.157159 -0.281871 0.018968 33O 3py 0.470790 0.388747 0.064970 0.022484 0.111231 0.040673 33O 1dz2 0.001135 0.002337 0.002333 -0.001454 0.000331 -0.000894 33O 1dxz -0.006010 -0.007879 -0.000705 -0.001995 0.002160 0.001245 33O 1dyz 0.000008 -0.002036 0.003340 -0.005250 -0.005229 -0.002375 33O 1dx2y2 -0.001741 0.005646 -0.000807 0.003554 0.001889 0.002549 33O 1dxy -0.004705 -0.003774 -0.001419 0.002664 -0.000514 0.002937 33O 2dz2 0.016908 -0.019562 0.148460 -0.161038 -0.058031 0.007322 33O 2dxz -0.072402 -0.256877 0.041552 -0.066472 -0.012117 -0.038030 33O 2dyz -0.017120 -0.113776 -0.073075 -0.030483 -0.063365 0.086087 33O 2dx2y2 -0.113128 0.183185 0.059138 0.051721 0.037306 -0.027663 33O 2dxy -0.152630 -0.082567 -0.008427 0.052210 -0.010069 -0.013596 33O 1f0 0.000667 0.001711 -0.002654 0.003203 0.003415 0.000486 33O 1f+1 -0.000519 0.001264 0.005383 -0.001928 0.002008 -0.006342 33O 1f-1 -0.002619 -0.003437 0.003043 -0.004604 -0.005300 0.000894 33O 1f+2 -0.005021 -0.002496 0.003292 -0.002139 -0.002960 0.005560 33O 1f-2 -0.002683 -0.002009 -0.000057 0.003753 0.002673 -0.005825 33O 1f+3 -0.002870 -0.004591 -0.013801 0.008563 0.003039 0.005554 33O 1f-3 -0.002898 0.001402 0.003929 -0.003970 0.000072 -0.005303 34O 1s -0.004906 0.000459 0.004551 0.001346 -0.003599 -0.004050 34O 2s -0.014440 0.003379 0.014120 0.004204 -0.009497 -0.011432 34O 3s 0.064535 -0.038548 -0.049261 -0.013192 0.023058 0.038870 34O 4s 0.049586 0.126166 -0.173315 -0.092674 0.140249 0.126964 34O 5s -0.731274 -0.660117 0.149494 -0.051316 -0.299502 -0.089455 34O 1pz 0.091313 0.028599 -0.044220 -0.042613 -0.064270 0.007106 34O 1px -0.007865 -0.016103 0.040983 0.024204 0.004832 0.007667 34O 1py -0.047464 -0.050505 0.000849 0.033022 -0.065265 -0.062974 34O 2pz -0.090182 -0.057466 0.023013 0.031881 0.022212 -0.012243 34O 2px -0.071457 -0.009553 -0.196500 -0.103201 0.040064 0.019341 34O 2py 0.090161 0.099012 0.020718 -0.023714 0.061319 0.048413 34O 3pz 0.519492 -0.127493 -0.037159 -0.213990 -0.246923 0.111030 34O 3px -0.199505 -0.546990 0.146182 -0.026898 -0.150994 -0.057243 34O 3py -0.401753 0.410645 0.075430 -0.028492 -0.142228 -0.189126 34O 1dz2 0.000171 0.006015 -0.000133 0.003119 0.006499 0.001416 34O 1dxz 0.001454 -0.001953 -0.001139 -0.003007 -0.000057 -0.001782 34O 1dyz 0.005657 0.000262 0.003561 -0.000140 0.000182 0.002966 34O 1dx2y2 0.000904 -0.003729 -0.000830 0.003140 0.003202 0.003978 34O 1dxy 0.001755 0.008226 0.002509 0.000832 0.003311 0.001227 34O 2dz2 0.024966 0.124668 0.015089 0.103441 0.172159 0.035557 34O 2dxz 0.161639 -0.033668 -0.059016 -0.159151 -0.179504 0.005233 34O 2dyz 0.101740 -0.060761 0.022995 -0.023395 -0.034656 0.040545 34O 2dx2y2 -0.013922 -0.201432 -0.000577 0.065389 0.018873 0.012783 34O 2dxy 0.025838 0.160459 0.024271 0.012787 -0.012196 -0.093595 34O 1f0 -0.001454 0.003299 0.003624 -0.001150 0.004833 0.002178 34O 1f+1 0.002586 -0.004636 0.001285 -0.005688 -0.012043 -0.001055 34O 1f-1 -0.001083 0.000686 -0.000362 -0.002327 -0.001927 -0.000579 34O 1f+2 0.003261 -0.000289 0.000158 -0.003541 -0.001887 0.000161 34O 1f-2 0.000797 0.005331 0.005185 0.005807 0.008689 0.004281 34O 1f+3 -0.000530 -0.008951 0.006199 0.004435 0.001495 0.004243 34O 1f-3 0.000952 0.002676 -0.004724 -0.005469 -0.002088 -0.000400 35O 1s 0.000285 0.000037 0.002156 0.002324 0.005243 0.001671 35O 2s -0.000660 -0.003108 0.005248 0.007553 0.016434 0.004951 35O 3s 0.008180 0.066571 -0.001886 -0.039026 -0.067411 -0.032540 35O 4s -0.090223 -0.317785 -0.162400 -0.033084 -0.140441 0.108508 35O 5s 1.545434 0.438003 0.235209 -0.020629 0.417458 0.000260 35O 1pz -0.050826 -0.082257 -0.058293 -0.033941 -0.015056 0.009531 35O 1px 0.001729 -0.017756 -0.043351 0.052868 0.061773 -0.020276 35O 1py -0.066959 -0.038346 0.090186 -0.052840 -0.015569 -0.007675 35O 2pz 0.144182 0.121658 0.049044 0.038850 0.014119 0.004263 35O 2px 0.156878 -0.049605 -0.029684 -0.080655 -0.157860 0.149069 35O 2py 0.159812 0.037809 -0.075891 0.025560 -0.026728 0.042151 35O 3pz -0.203533 0.117531 -0.106984 0.046700 -0.124494 -0.401062 35O 3px 0.615781 0.218322 -0.052888 0.232905 0.259762 -0.344339 35O 3py 0.016019 0.190920 0.329343 -0.201705 -0.036408 -0.414236 35O 1dz2 0.001672 0.000018 0.004258 -0.004142 -0.002448 0.005772 35O 1dxz 0.000287 0.002793 0.002900 -0.001022 -0.002595 0.001583 35O 1dyz 0.004608 0.003107 -0.000909 0.001169 -0.001595 0.008309 35O 1dx2y2 0.003418 0.001442 0.002821 0.000499 -0.000463 -0.005021 35O 1dxy 0.002945 0.002802 0.002645 -0.001839 -0.001873 -0.003179 35O 2dz2 -0.034521 -0.056646 0.089992 -0.126792 -0.047316 0.090247 35O 2dxz 0.184684 0.011835 0.012287 -0.049130 -0.011674 -0.044482 35O 2dyz 0.173340 -0.027721 -0.075688 0.045007 0.021110 0.088762 35O 2dx2y2 0.132181 0.056166 -0.086098 0.126565 0.046239 -0.020284 35O 2dxy 0.171325 0.070632 0.220677 -0.119533 -0.027869 -0.142710 35O 1f0 0.002294 0.000175 0.001294 0.001040 0.001664 -0.000341 35O 1f+1 0.003266 0.003878 -0.004939 0.004502 0.003952 0.000187 35O 1f-1 0.004579 0.006622 -0.003487 0.005806 0.000167 -0.000953 35O 1f+2 -0.002496 -0.003337 -0.005647 0.002620 -0.000281 0.002835 35O 1f-2 0.001625 0.002427 0.005950 -0.004516 -0.004673 0.001735 35O 1f+3 -0.002460 0.002121 0.007005 -0.001812 0.000502 -0.004631 35O 1f-3 -0.000196 0.003735 0.008515 -0.004479 0.003348 -0.009201 432 433 434 435 436 437 2.42223 2.42976 2.42992 2.43614 2.45087 2.45235 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s 0.001410 0.001370 0.001010 -0.000230 0.001257 0.000652 0Rh 2s -0.005984 -0.007395 -0.005134 -0.000318 -0.010719 -0.002400 0Rh 3s 0.004682 0.003577 0.002832 -0.001548 0.000886 0.002385 0Rh 4s 0.030777 0.037746 0.026255 0.001728 0.054945 0.012250 0Rh 5s -0.042750 -0.057773 -0.039134 -0.012051 -0.106125 -0.013067 0Rh 6s -0.020687 -0.017777 -0.015207 0.044089 0.068619 -0.029169 0Rh 7s 0.079264 0.229878 0.150301 -0.353918 0.000427 0.080836 0Rh 8s -0.738585 0.032202 -0.101820 0.178610 0.177202 0.082220 0Rh 1pz 0.000513 0.000544 0.001663 0.012651 -0.000106 0.005596 0Rh 1px -0.003396 0.003386 0.003088 0.002706 0.003663 -0.000828 0Rh 1py -0.002116 -0.008876 -0.005855 0.000486 -0.001523 0.008691 0Rh 2pz -0.002102 -0.002024 -0.005906 -0.045085 0.000528 -0.020120 0Rh 2px 0.012274 -0.011928 -0.010991 -0.010177 -0.013126 0.002957 0Rh 2py 0.007612 0.031617 0.021267 -0.001797 0.005405 -0.031090 0Rh 3pz 0.007593 0.003366 0.004586 0.037362 -0.003586 0.020087 0Rh 3px -0.013701 0.006846 0.008913 0.019772 0.012188 -0.002269 0Rh 3py -0.007490 -0.025851 -0.026192 0.002712 -0.003540 0.027881 0Rh 4pz -0.017590 0.001278 0.021558 0.159278 0.011603 0.058242 0Rh 4px -0.029022 0.055002 0.039769 -0.011994 0.041414 -0.011608 0Rh 4py -0.024528 -0.114010 -0.038739 0.001905 -0.026606 0.102668 0Rh 5pz 0.042537 -0.005884 -0.034122 -0.279421 -0.029723 -0.105055 0Rh 5px 0.034645 -0.095987 -0.073088 0.035366 -0.055996 0.014369 0Rh 5py 0.055643 0.205088 0.059978 -0.009117 0.076554 -0.189422 0Rh 6pz -0.415138 -0.263319 -0.291065 -1.075874 0.239789 -0.368367 0Rh 6px 0.871744 -0.300097 -0.056946 -0.582492 -0.944610 0.305481 0Rh 6py 0.070019 0.737306 0.629003 0.095586 -0.622460 -0.318836 0Rh 1dz2 -0.000969 0.005103 -0.007829 -0.002836 -0.013827 0.010161 0Rh 1dxz 0.002789 0.002933 0.003722 0.005173 -0.019346 0.003837 0Rh 1dyz 0.008499 0.010836 -0.011873 -0.002752 0.004792 0.002422 0Rh 1dx2y2 -0.009882 -0.002317 -0.002623 0.003992 0.010529 -0.005866 0Rh 1dxy -0.000858 0.005257 -0.011399 -0.005265 0.005577 -0.000346 0Rh 2dz2 -0.003741 -0.003768 0.001938 0.000410 0.001852 0.002501 0Rh 2dxz -0.003549 -0.000784 -0.001622 -0.001270 0.001890 -0.001721 0Rh 2dyz -0.003332 -0.008708 0.005531 -0.002116 0.000761 0.005975 0Rh 2dx2y2 0.004822 -0.000980 0.001989 -0.000754 -0.003906 0.003480 0Rh 2dxy 0.001097 -0.000815 0.003482 -0.001368 -0.001243 0.002368 0Rh 3dz2 0.019814 0.003112 0.012761 0.006160 0.030071 -0.039521 0Rh 3dxz 0.008411 -0.004693 -0.003082 -0.008943 0.045245 -0.002910 0Rh 3dyz -0.008236 0.009751 0.007259 0.017160 -0.016838 -0.034041 0Rh 3dx2y2 0.005453 0.010812 -0.001860 -0.007619 -0.011576 0.000646 0Rh 3dxy -0.002542 -0.010362 0.015845 0.020768 -0.009894 -0.009935 0Rh 4dz2 -0.061583 -0.061337 0.033342 0.003362 0.030431 0.039348 0Rh 4dxz -0.057427 -0.010040 -0.024215 -0.014540 0.031379 -0.026978 0Rh 4dyz -0.054827 -0.140554 0.096978 -0.033712 0.014448 0.100624 0Rh 4dx2y2 0.077878 -0.014479 0.033706 -0.012745 -0.062718 0.054053 0Rh 4dxy 0.016900 -0.020751 0.055342 -0.020827 -0.019560 0.041338 0Rh 5dz2 0.271548 0.298047 -0.239766 0.005336 -0.276074 -0.122750 0Rh 5dxz 0.280627 0.039809 0.124575 0.048318 -0.311973 0.141411 0Rh 5dyz 0.298656 0.671254 -0.610418 0.168768 -0.100720 -0.538031 0Rh 5dx2y2 -0.414580 0.038962 -0.182656 0.102079 0.381627 -0.285503 0Rh 5dxy -0.069783 0.182713 -0.329533 0.055715 0.126047 -0.248514 0Rh 1f0 0.075787 0.088207 0.018807 0.073345 -0.083374 -0.121357 0Rh 1f+1 -0.068107 0.013834 0.033037 -0.048126 0.084166 0.097432 0Rh 1f-1 0.030048 0.069899 0.004936 -0.077194 -0.043203 -0.255159 0Rh 1f+2 -0.088312 0.067778 0.016621 0.164331 0.031976 -0.080320 0Rh 1f-2 -0.050903 0.029801 0.167841 -0.104160 0.116374 0.215450 0Rh 1f+3 -0.086312 -0.022066 -0.056716 -0.050888 0.066446 -0.040398 0Rh 1f-3 -0.050362 0.044438 -0.038256 0.059556 0.027290 -0.195168 1Rh 1s -0.001459 0.001440 0.000855 -0.000229 -0.000658 0.001323 1Rh 2s 0.006290 -0.007574 -0.004743 -0.000385 0.007330 -0.008564 1Rh 3s -0.004783 0.003882 0.002157 -0.001589 0.000586 0.002589 1Rh 4s -0.032343 0.038700 0.024181 0.002066 -0.037599 0.043860 1Rh 5s 0.045381 -0.058653 -0.037301 -0.012820 0.078339 -0.075643 1Rh 6s 0.020451 -0.019435 -0.011194 0.044757 -0.070789 0.016788 1Rh 7s -0.090498 0.221236 0.165273 -0.351277 0.042912 0.070595 1Rh 8s 0.742963 -0.060426 0.076327 0.194980 -0.097987 0.159847 1Rh 1pz 0.000786 -0.001861 0.000217 -0.012527 -0.003742 -0.004398 1Rh 1px -0.003212 -0.004292 -0.001897 -0.002649 0.003401 -0.001435 1Rh 1py -0.002421 0.008906 0.005676 -0.000484 -0.006411 -0.005955 1Rh 2pz -0.003076 0.006651 -0.000677 0.044625 0.013571 0.015735 1Rh 2px 0.011628 0.015248 0.006623 0.009970 -0.012185 0.005150 1Rh 2py 0.008705 -0.032101 -0.020060 0.001801 0.022897 0.021330 1Rh 3pz 0.008454 -0.006014 -0.001333 -0.036597 -0.016055 -0.014033 1Rh 3px -0.013364 -0.011699 -0.002472 -0.019483 0.011106 -0.005156 1Rh 3py -0.008486 0.034326 0.012937 -0.002918 -0.019494 -0.019980 1Rh 4pz -0.014376 -0.021348 0.008957 -0.159272 -0.028335 -0.052752 1Rh 4px -0.025886 -0.057951 -0.036122 0.012324 0.039469 -0.014392 1Rh 4py -0.027996 0.080877 0.087274 -0.001111 -0.082535 -0.064948 1Rh 5pz 0.036877 0.035828 -0.010910 0.279834 0.042805 0.100313 1Rh 5px 0.028838 0.103566 0.061684 -0.036826 -0.051994 0.019880 1Rh 5py 0.061890 -0.136326 -0.161005 0.007715 0.173871 0.103709 1Rh 6pz -0.438679 0.364223 0.120371 1.062297 0.459473 0.152292 1Rh 6px 0.865784 0.206817 0.258221 0.610337 -0.937532 0.311456 1Rh 6py 0.079037 -0.866370 -0.410553 -0.088456 -0.294883 0.613885 1Rh 1dz2 0.001182 -0.005292 0.007501 -0.002565 0.016619 0.000254 1Rh 1dxz -0.002637 0.004523 0.001181 0.004977 0.018163 -0.008302 1Rh 1dyz -0.008103 -0.006973 0.014455 -0.002442 -0.002170 0.005184 1Rh 1dx2y2 0.009925 -0.003070 -0.000783 0.004163 -0.011590 0.001501 1Rh 1dxy 0.000955 -0.008593 0.009145 -0.005080 -0.004432 0.002919 1Rh 2dz2 0.003977 0.000386 -0.004126 0.000452 0.000229 0.002928 1Rh 2dxz 0.003589 -0.001703 -0.000003 -0.001202 -0.002555 -0.000309 1Rh 2dyz 0.003907 0.001708 -0.009989 -0.002175 0.003491 0.004897 1Rh 2dx2y2 -0.004699 0.001313 -0.001755 -0.000871 0.005245 0.000542 1Rh 2dxy -0.000910 0.002813 -0.002115 -0.001421 0.002606 0.001077 1Rh 3dz2 -0.021478 0.012840 -0.001872 0.005223 -0.047214 -0.013897 1Rh 3dxz -0.009006 -0.004977 -0.003319 -0.008708 -0.038960 0.024474 1Rh 3dyz 0.004535 0.011165 0.005721 0.016580 -0.009872 -0.036819 1Rh 3dx2y2 -0.006123 0.002437 0.010116 -0.007556 0.008511 -0.006543 1Rh 3dxy 0.001421 0.011291 -0.015309 0.020504 0.000425 -0.013134 1Rh 4dz2 0.065342 0.008035 -0.067820 0.003913 0.002428 0.046699 1Rh 4dxz 0.057919 -0.024598 0.001489 -0.013394 -0.041438 -0.003850 1Rh 4dyz 0.063913 0.034848 -0.164252 -0.034890 0.056635 0.083689 1Rh 4dx2y2 -0.076142 0.023116 -0.027630 -0.014706 0.083215 0.007157 1Rh 4dxy -0.013905 0.041762 -0.040695 -0.021836 0.043374 0.020138 1Rh 5dz2 -0.286189 -0.111918 0.358485 0.006147 0.133495 -0.248016 1Rh 5dxz -0.280518 0.121933 -0.017367 0.041012 0.337953 -0.067531 1Rh 5dyz -0.334227 -0.306370 0.842266 0.179475 -0.264598 -0.465683 1Rh 5dx2y2 0.409247 -0.140567 0.113878 0.113307 -0.476370 -0.006475 1Rh 5dxy 0.057019 -0.229691 0.295322 0.063112 -0.257053 -0.119739 1Rh 1f0 0.082867 -0.051024 -0.072012 -0.072191 0.002109 0.145953 1Rh 1f+1 -0.072301 -0.037886 -0.000564 0.046933 0.011371 -0.126264 1Rh 1f-1 0.033635 -0.031180 -0.061378 0.075456 0.120224 0.228604 1Rh 1f+2 -0.082362 -0.046961 -0.055717 -0.163952 0.071565 0.046307 1Rh 1f-2 -0.056392 -0.169512 0.037992 0.105442 -0.031155 -0.242555 1Rh 1f+3 -0.089664 0.059357 -0.003621 0.048376 0.080032 -0.005124 1Rh 1f-3 -0.045197 0.016777 -0.055545 -0.061930 0.136339 0.140267 2C 1s 0.000141 0.000336 -0.002640 0.001465 -0.000007 0.003735 2C 2s 0.002047 -0.000283 -0.006591 0.004519 0.000742 0.009409 2C 3s -0.018030 -0.012771 0.080442 -0.026706 0.018202 -0.234476 2C 4s -0.037269 0.223794 -0.025060 -0.145499 -0.174568 0.924001 2C 5s -0.642604 0.384580 -0.215698 -1.175139 1.025336 3.743768 2C 1pz -0.041790 -0.006058 0.075467 -0.060530 0.015386 -0.093306 2C 1px 0.125879 0.011259 -0.057455 0.090162 -0.005500 0.034011 2C 1py 0.031458 0.005766 0.013792 0.012144 0.006343 -0.054677 2C 2pz 0.042262 0.090977 0.025864 -0.111651 -0.093237 0.459339 2C 2px -0.074551 0.112973 -0.336313 0.310891 -0.019476 0.294252 2C 2py -0.089683 0.146283 0.233484 -0.221634 0.007331 0.243006 2C 3pz -0.170948 0.055036 0.022067 -0.415562 0.286596 0.936386 2C 3px -0.016720 0.048615 -0.074877 0.130887 0.006820 0.217039 2C 3py -0.077108 0.081223 -0.034816 -0.151073 0.146627 0.639170 2C 1dz2 -0.005999 0.001009 -0.012662 0.001962 -0.023453 0.007000 2C 1dxz 0.009726 -0.003394 -0.087416 0.065367 0.005311 0.051142 2C 1dyz 0.000456 0.010636 0.000834 0.000833 -0.020538 -0.003151 2C 1dx2y2 0.029819 0.001960 -0.009896 0.020754 -0.003937 0.016266 2C 1dxy 0.000989 0.009383 -0.020425 0.018202 0.013071 0.030530 2C 2dz2 -0.169011 -0.070210 0.173506 -0.250420 0.139823 -0.089909 2C 2dxz -0.072898 0.122046 0.325320 -0.187444 -0.116054 -0.167328 2C 2dyz 0.213846 0.073110 -0.197325 0.201249 -0.027473 0.369331 2C 2dx2y2 0.355263 0.120776 -0.376661 0.509710 -0.086714 0.171805 2C 2dxy 0.066500 0.067256 -0.119012 0.188382 -0.171086 0.011302 2C 1f0 0.039545 0.018219 -0.035740 0.066998 -0.022524 0.030021 2C 1f+1 0.037548 0.010636 -0.043593 0.043293 -0.011645 0.019427 2C 1f-1 -0.056146 -0.008546 0.040260 -0.062578 0.001276 -0.019065 2C 1f+2 -0.028000 -0.020538 0.022306 -0.042284 0.019072 -0.026908 2C 1f-2 -0.005778 0.015261 -0.034055 0.000479 -0.004369 0.031378 2C 1f+3 0.040879 0.009926 -0.003639 0.027167 0.001150 -0.017028 2C 1f-3 0.061658 0.016321 -0.028931 0.065590 -0.014636 0.016001 3C 1s 0.001496 0.001145 0.002272 0.001152 -0.001130 -0.003220 3C 2s 0.005598 0.003982 0.004969 0.002444 -0.003596 -0.008185 3C 3s -0.129887 -0.085163 -0.091299 -0.076610 0.030269 0.172495 3C 4s 0.501961 0.307343 0.290506 0.271516 0.072332 -0.525859 3C 5s -0.708145 -0.311790 -0.089882 1.214071 -1.022128 -3.730664 3C 1pz -0.039399 -0.038484 -0.064273 -0.027493 0.025706 0.044893 3C 1px 0.074889 0.039383 0.130654 0.043502 -0.054999 0.020464 3C 1py 0.051197 0.024116 0.080144 0.061242 -0.030049 -0.064027 3C 2pz -0.063335 0.193063 -0.204801 -0.163365 0.110814 0.268165 3C 2px -0.120202 0.218763 0.391387 0.087485 0.028564 -0.042122 3C 2py -0.366774 0.011811 -0.142455 -0.294129 0.025186 0.446820 3C 3pz -0.082711 -0.105339 -0.066277 0.188476 -0.155951 -0.587747 3C 3px -0.015264 0.141815 0.221185 0.146407 -0.107051 -0.326452 3C 3py 0.105405 0.062202 0.133345 -0.225452 0.206135 0.954494 3C 1dz2 -0.005625 0.012065 -0.034133 -0.038034 0.022305 0.046070 3C 1dxz -0.043702 0.016661 0.004960 -0.009903 -0.002777 0.015092 3C 1dyz -0.002576 -0.022851 0.013040 0.038556 -0.030824 -0.053622 3C 1dx2y2 -0.036821 0.026725 -0.003935 -0.016607 -0.002654 0.049454 3C 1dxy -0.005898 -0.011265 -0.074137 -0.045570 0.023145 0.032584 3C 2dz2 -0.163397 0.044963 -0.093409 -0.049782 -0.039123 -0.074868 3C 2dxz -0.041305 -0.202648 -0.564013 -0.170438 0.237741 -0.094159 3C 2dyz -0.147730 0.000555 -0.254046 -0.274013 0.190869 0.374527 3C 2dx2y2 0.214899 0.033433 0.508378 0.175860 -0.129040 -0.124181 3C 2dxy -0.112356 -0.238147 -0.425157 0.025498 -0.018477 -0.245435 3C 1f0 0.001970 -0.005132 -0.003263 -0.006108 0.005963 -0.023890 3C 1f+1 0.049455 0.049204 0.110326 0.011292 -0.015889 0.012636 3C 1f-1 0.018938 -0.007702 0.059499 0.043344 -0.030554 -0.039833 3C 1f+2 0.024039 0.010816 0.053573 0.007282 -0.028127 0.025069 3C 1f-2 -0.029139 -0.033302 -0.095725 -0.012673 0.009949 -0.004164 3C 1f+3 -0.010372 -0.026792 -0.035434 -0.006288 0.009618 -0.007508 3C 1f-3 -0.062814 -0.044311 -0.087677 -0.012133 0.005900 -0.008453 4C 1s -0.002275 -0.001883 0.000580 0.006195 -0.004499 -0.011891 4C 2s -0.007810 -0.005507 0.005076 0.017901 -0.013357 -0.040738 4C 3s 0.108913 0.067504 -0.215079 -0.179342 0.196937 0.969616 4C 4s -0.146649 -0.234856 0.643402 0.594335 -0.508578 -3.579466 4C 5s 0.385383 0.039297 0.254032 0.152916 -0.265343 -1.425517 4C 1pz -0.001642 -0.004892 -0.066296 -0.036395 0.078578 0.174896 4C 1px 0.035718 -0.013303 -0.028460 0.022895 -0.022910 0.056311 4C 1py 0.009848 -0.004997 -0.039519 -0.034777 0.055428 0.147508 4C 2pz 0.153194 0.055335 0.218292 0.354392 -0.434438 -0.603923 4C 2px -0.653461 0.125121 0.392119 -0.974795 0.220036 -0.641395 4C 2py -0.159527 0.078019 0.260466 -0.094638 -0.230463 -0.710401 4C 3pz -0.469631 0.395767 -0.084609 -0.855052 0.790503 2.917842 4C 3px -0.013803 -0.107520 0.343074 -0.770949 0.219882 0.264238 4C 3py -0.298959 0.188975 0.188166 -0.928160 0.596600 1.937480 4C 1dz2 -0.003749 0.023187 -0.010275 0.002357 -0.015866 -0.005016 4C 1dxz -0.007453 -0.015088 0.008461 -0.001097 -0.006982 -0.011042 4C 1dyz -0.013620 0.013137 -0.025744 -0.006109 -0.014797 0.055996 4C 1dx2y2 -0.000313 -0.013637 0.016828 -0.018456 0.017694 0.004059 4C 1dxy -0.019882 0.005133 0.015363 0.006171 -0.013407 0.031633 4C 2dz2 0.200565 -0.208180 -0.226097 0.280130 0.084855 -0.062101 4C 2dxz -0.211457 0.052440 -0.142473 -0.001850 -0.044597 -0.105953 4C 2dyz -0.026065 -0.130396 0.002480 0.071367 -0.010868 -0.378105 4C 2dx2y2 -0.149295 0.141237 0.279451 -0.189632 -0.103752 -0.226855 4C 2dxy -0.198469 0.135450 0.194779 -0.194068 -0.023461 -0.315897 4C 1f0 -0.005547 -0.008050 -0.008502 -0.015955 -0.003364 0.006214 4C 1f+1 0.029646 -0.000324 -0.061093 0.069293 0.002817 0.070190 4C 1f-1 -0.007048 -0.009187 0.001274 -0.031376 0.033469 0.055229 4C 1f+2 0.015110 0.003407 -0.034702 0.061249 -0.026261 -0.028992 4C 1f-2 0.022906 0.007182 -0.042456 0.034312 0.011698 0.062399 4C 1f+3 0.028411 -0.002651 -0.030673 0.045815 -0.000769 0.041049 4C 1f-3 0.019246 0.000316 -0.010547 0.008468 0.008333 0.052651 5C 1s -0.000575 0.002793 0.001660 -0.005614 0.005465 0.012493 5C 2s -0.003270 0.008345 0.002373 -0.020439 0.018382 0.041936 5C 3s 0.201853 0.006212 0.122817 0.357401 -0.301540 -0.934359 5C 4s -0.995580 -0.340463 -0.557184 -0.896588 0.677777 3.336880 5C 5s 0.133173 -0.038847 -0.187399 -0.210512 0.151452 1.320608 5C 1pz -0.026721 -0.014033 -0.012115 0.057778 -0.048854 -0.152307 5C 1px 0.023360 -0.007482 0.027105 -0.005774 -0.061865 -0.041477 5C 1py 0.027359 0.047332 0.003777 -0.114005 0.095616 0.233139 5C 2pz 0.213551 0.248592 0.303869 -0.067507 0.106726 0.735134 5C 2px -0.460796 -0.592349 -0.928842 -0.309850 0.621334 0.214014 5C 2py -0.157157 -0.284816 -0.164990 0.254373 -0.320060 -1.044068 5C 3pz -0.286917 0.098961 -0.001299 0.493717 -0.454796 -1.703292 5C 3px 0.068406 -0.407330 -0.846716 -0.021385 -0.169686 -1.052564 5C 3py 0.285758 0.108935 0.194829 -0.928076 0.771563 2.934596 5C 1dz2 -0.000023 -0.028387 -0.000464 0.024565 -0.013705 -0.003817 5C 1dxz 0.004492 -0.000422 0.006730 0.005370 -0.005984 -0.009767 5C 1dyz -0.020605 -0.014160 -0.041803 -0.010230 -0.006916 0.049213 5C 1dx2y2 -0.002193 0.000498 -0.036124 0.001893 -0.018635 -0.034329 5C 1dxy -0.003996 -0.013269 0.009427 -0.015174 0.000147 0.003155 5C 2dz2 0.123623 0.088717 0.086441 0.088827 -0.128461 -0.281394 5C 2dxz -0.118311 0.049933 0.090054 -0.052907 -0.055396 -0.050348 5C 2dyz 0.083123 -0.037709 0.116630 0.147911 0.033167 -0.272381 5C 2dx2y2 -0.219730 -0.056750 -0.115390 -0.111850 0.280013 0.254694 5C 2dxy 0.115097 0.123405 0.098127 0.163376 -0.238595 -0.056623 5C 1f0 0.000780 -0.003183 -0.016447 -0.025530 0.026053 0.039019 5C 1f+1 -0.002996 0.038089 0.025593 0.005847 -0.015466 -0.000975 5C 1f-1 0.034279 -0.024911 0.057850 0.048672 -0.017337 -0.041533 5C 1f+2 0.010791 0.035670 0.079512 0.007620 -0.005242 0.054829 5C 1f-2 0.007712 -0.028451 -0.020977 0.000011 0.012645 0.034543 5C 1f+3 0.028386 0.024599 0.068018 0.059546 -0.051331 -0.074458 5C 1f-3 -0.022927 0.025641 0.033253 -0.015435 0.006541 0.062257 6C 1s 0.000953 0.002625 0.001889 -0.005538 0.002847 0.013442 6C 2s 0.004712 0.005320 0.006712 -0.020062 0.009760 0.045015 6C 3s -0.235518 0.119824 -0.045419 0.347512 -0.312653 -0.932106 6C 4s 1.108934 -0.649342 -0.084630 -0.860510 1.437604 3.079585 6C 5s -0.117643 -0.196058 0.041920 -0.206539 0.675420 1.150217 6C 1pz -0.023050 0.015450 0.007752 -0.058582 0.050913 0.153307 6C 1px 0.027418 -0.021723 0.018326 0.007695 -0.023758 0.069953 6C 1py 0.021834 -0.018684 -0.042830 0.113825 -0.061469 -0.246450 6C 2pz 0.208766 -0.370560 -0.104676 0.077945 -0.346848 -0.664678 6C 2px -0.501850 1.068337 0.164087 0.292351 0.383159 -0.538147 6C 2py -0.146508 0.254476 0.197574 -0.263274 0.351408 1.043227 6C 3pz -0.244868 -0.043585 -0.100773 -0.495097 0.635142 1.664774 6C 3px 0.080042 0.940840 0.037820 0.012602 0.483860 0.952707 6C 3py 0.221701 -0.205121 -0.014434 0.925001 -1.106109 -2.849971 6C 1dz2 0.000450 -0.011005 -0.025836 0.023987 0.010135 -0.011019 6C 1dxz -0.004847 0.006502 -0.003138 0.004533 -0.002061 -0.010903 6C 1dyz 0.023157 -0.045183 0.003120 -0.008231 0.036517 0.034652 6C 1dx2y2 0.002826 -0.033873 0.014515 0.003222 -0.004398 -0.038990 6C 1dxy 0.004820 0.002774 -0.015798 -0.015096 0.002054 0.002031 6C 2dz2 -0.139023 0.115816 0.041792 0.088419 -0.067511 -0.302664 6C 2dxz 0.116110 0.102939 0.013985 -0.053516 0.011755 -0.076978 6C 2dyz -0.089869 0.099853 -0.078783 0.138201 -0.190908 -0.194829 6C 2dx2y2 0.231953 -0.128203 0.004596 -0.114297 -0.072584 0.372027 6C 2dxy -0.129131 0.133776 0.069318 0.161183 0.160018 -0.185583 6C 1f0 -0.000493 0.015872 -0.003799 0.025276 -0.001241 -0.047710 6C 1f+1 -0.001224 -0.038255 -0.025078 -0.005852 -0.011403 0.010423 6C 1f-1 0.035273 -0.044947 0.046336 -0.045982 0.010539 0.042517 6C 1f+2 0.011669 -0.087237 -0.001015 -0.006405 -0.037226 -0.040908 6C 1f-2 0.005208 0.030059 0.018120 -0.000092 -0.010807 -0.036265 6C 1f+3 0.032826 -0.073413 0.005909 -0.058354 0.003454 0.090433 6C 1f-3 -0.023290 -0.039739 -0.010958 0.015340 -0.032829 -0.053021 7C 1s 0.001822 -0.000215 -0.001931 0.006211 -0.003320 -0.012321 7C 2s 0.006167 0.002433 -0.006970 0.017983 -0.013379 -0.040929 7C 3s -0.081028 -0.170384 0.146153 -0.178090 0.429091 0.897140 7C 4s 0.067370 0.490984 -0.474581 0.588869 -1.761660 -3.174558 7C 5s -0.426749 0.240427 -0.077015 0.154789 -0.639357 -1.304161 7C 1pz -0.009841 0.063619 -0.022003 0.034209 -0.043577 -0.186621 7C 1px 0.033529 0.031271 0.003091 -0.020501 -0.049154 -0.032428 7C 1py 0.004274 0.039897 -0.010916 0.034115 -0.043838 -0.152161 7C 2pz 0.175618 -0.231905 0.043513 -0.332029 0.015174 0.741184 7C 2px -0.659374 -0.418256 0.016259 0.953290 0.562636 0.385501 7C 2py -0.145973 -0.282601 0.027776 0.101208 0.242950 0.707390 7C 3pz -0.542235 -0.077228 -0.399831 0.849416 -1.056938 -2.812352 7C 3px -0.038820 -0.276782 0.230950 0.772611 0.044180 -0.346011 7C 3py -0.350097 -0.241080 -0.105771 0.926648 -0.640642 -1.926045 7C 1dz2 0.003107 -0.000325 0.025648 0.002048 0.010574 -0.012730 7C 1dxz 0.008164 0.001943 -0.016335 -0.001813 0.000143 -0.013209 7C 1dyz 0.015295 -0.017517 0.022898 -0.006296 0.046770 0.035357 7C 1dx2y2 -0.000609 0.008964 -0.018495 -0.018141 -0.012271 0.013950 7C 1dxy 0.020712 0.016602 -0.001353 0.005730 0.029959 0.016586 7C 2dz2 -0.200044 -0.297870 -0.105175 0.282453 -0.087902 -0.000009 7C 2dxz 0.205412 -0.107478 0.108346 0.009819 -0.023036 -0.115507 7C 2dyz 0.015799 -0.057428 -0.119016 0.079645 -0.212781 -0.314688 7C 2dx2y2 0.147414 0.323699 0.021398 -0.198602 -0.074233 -0.238442 7C 2dxy 0.187838 0.236622 0.050014 -0.194240 -0.186664 -0.268842 7C 1f0 -0.008338 0.008271 0.004301 0.017046 -0.006113 -0.001115 7C 1f+1 0.028763 0.055942 -0.022625 -0.069566 -0.041957 -0.057279 7C 1f-1 -0.010222 0.002571 0.008377 0.030645 -0.006680 -0.063682 7C 1f+2 0.015603 0.028496 -0.015937 -0.060422 -0.004302 0.039988 7C 1f-2 0.022906 0.036594 -0.022354 -0.034923 -0.028104 -0.057043 7C 1f+3 0.029185 0.030453 -0.008726 -0.045898 -0.025700 -0.033366 7C 1f-3 0.019320 0.011266 -0.004316 -0.008892 -0.026951 -0.047531 8C 1s -0.001677 0.002587 0.000150 0.001069 -0.001056 -0.003254 8C 2s -0.006107 0.006143 0.001658 0.002264 -0.002065 -0.008710 8C 3s 0.141951 -0.119500 -0.041064 -0.070976 0.083730 0.153724 8C 4s -0.542524 0.395227 0.167396 0.245171 -0.390455 -0.363140 8C 5s 0.635139 -0.168924 -0.245346 1.213534 -1.391202 -3.646077 8C 1pz -0.042607 0.074058 0.009232 0.025975 -0.007120 -0.051275 8C 1px 0.076994 -0.132792 0.017252 -0.041578 -0.059246 0.016134 8C 1py 0.056288 -0.085659 0.010815 -0.058113 0.016785 0.067661 8C 2pz -0.063094 0.119004 -0.262991 0.158829 -0.066734 -0.280898 8C 2px -0.105725 -0.452429 -0.051294 -0.078590 0.052556 0.022796 8C 2py -0.384715 0.131901 -0.072348 0.276893 -0.255171 -0.359872 8C 3pz -0.070269 0.095944 0.070129 -0.186686 0.224164 0.568130 8C 3px -0.004558 -0.257863 -0.044565 -0.141397 0.106341 0.328576 8C 3py 0.086752 -0.142197 -0.002482 0.227522 -0.399337 -0.899089 8C 1dz2 0.007912 -0.028427 0.024732 -0.036677 0.009644 0.049955 8C 1dxz 0.043192 0.011985 0.014260 -0.009354 0.010612 0.009105 8C 1dyz 0.001609 0.003835 -0.026824 0.038211 -0.006766 -0.061858 8C 1dx2y2 0.037128 0.006004 0.026437 -0.014635 0.032846 0.036144 8C 1dxy 0.009043 -0.074580 0.019819 -0.044167 0.001563 0.040592 8C 2dz2 0.159580 -0.081033 0.081400 -0.048285 -0.019584 -0.085922 8C 2dxz 0.051572 -0.594532 0.036401 -0.160218 -0.252291 0.069407 8C 2dyz 0.166542 -0.245814 0.106272 -0.266174 0.070421 0.412721 8C 2dx2y2 -0.224937 0.490087 -0.172943 0.162062 0.035184 -0.170532 8C 2dxy 0.113635 -0.467053 -0.056584 0.040585 -0.133335 -0.214959 8C 1f0 0.002183 0.002405 0.003499 0.005209 0.017675 0.016442 8C 1f+1 0.051232 -0.119018 -0.001112 -0.009088 -0.021948 -0.001544 8C 1f-1 0.020812 -0.052277 0.030996 -0.040858 -0.000209 0.049195 8C 1f+2 0.024252 -0.052102 0.011832 -0.006995 -0.039804 -0.002669 8C 1f-2 -0.031113 0.100662 -0.007634 0.010570 0.009679 -0.002739 8C 1f+3 -0.010247 0.039806 0.010371 0.005368 0.011480 0.000833 8C 1f-3 -0.064227 0.097390 0.005337 0.010333 0.011575 0.004254 9C 1s -0.000132 -0.002342 0.001353 0.001551 0.002366 0.002971 9C 2s -0.002132 -0.006356 0.002302 0.004799 0.005406 0.007908 9C 3s 0.013263 0.067329 -0.042877 -0.026463 -0.162664 -0.176166 9C 4s 0.060310 0.085295 0.214726 -0.160626 0.704754 0.638026 9C 5s 0.758785 -0.050312 0.450668 -1.174634 1.357385 3.629744 9C 1pz -0.039123 -0.066808 0.034042 0.059689 0.072547 0.065652 9C 1px 0.129497 0.051968 -0.030709 -0.089991 -0.027379 -0.025559 9C 1py 0.033087 -0.014671 0.000934 -0.011703 0.039996 0.039976 9C 2pz 0.019419 -0.080285 -0.070574 0.128053 -0.347839 -0.308230 9C 2px -0.072129 0.258430 -0.233081 -0.317921 -0.198316 -0.220279 9C 2py -0.083986 -0.262429 -0.045601 0.220714 -0.135506 -0.215067 9C 3pz -0.199788 -0.042475 -0.046827 0.414925 -0.314881 -0.925308 9C 3px -0.013123 0.052748 -0.072018 -0.132414 -0.122998 -0.174075 9C 3py -0.097380 -0.001636 -0.088556 0.153750 -0.256011 -0.602201 9C 1dz2 0.008333 -0.008201 0.005584 0.000477 0.023224 -0.010320 9C 1dxz -0.007151 -0.080815 0.030610 0.066337 0.029850 0.043068 9C 1dyz -0.001476 0.003725 0.010098 0.000756 0.015628 -0.013890 9C 1dx2y2 -0.028923 -0.007267 0.004645 0.019733 0.011983 0.009670 9C 1dxy -0.002751 -0.017027 0.016644 0.020379 0.008944 0.033366 9C 2dz2 0.172894 0.128395 -0.124589 -0.244316 -0.165807 0.016438 9C 2dxz 0.068711 0.352649 -0.021610 -0.205776 -0.033478 -0.201987 9C 2dyz -0.208510 -0.148155 0.135654 0.193572 0.246908 0.278823 9C 2dx2y2 -0.372142 -0.307690 0.246641 0.506704 0.178593 0.096647 9C 2dxy -0.081636 -0.080569 0.113513 0.197839 0.148380 -0.090954 9C 1f0 0.038991 0.024176 -0.028679 -0.064516 -0.035909 -0.010174 9C 1f+1 0.042238 0.037756 -0.027421 -0.046537 -0.023016 -0.009971 9C 1f-1 -0.057674 -0.034899 0.021773 0.061814 0.012465 0.015497 9C 1f+2 -0.028585 -0.013111 0.027260 0.040401 0.032588 0.011364 9C 1f-2 -0.009752 0.024194 -0.026421 0.000979 -0.022817 -0.022224 9C 1f+3 0.039472 -0.000462 -0.008275 -0.024504 0.011925 0.012577 9C 1f-3 0.067538 0.021466 -0.025246 -0.066486 -0.021402 -0.004369 10H 1s 0.177873 0.078585 -0.085663 0.171982 -0.076514 0.077769 10H 2s -0.500018 -0.177619 0.773417 -0.859100 0.108371 -0.598642 10H 3s 0.204300 0.029568 -0.086349 0.157925 -0.058756 0.023794 10H 1pz -0.234672 -0.113156 0.235237 -0.344446 0.132762 -0.174449 10H 1px 0.019913 -0.036128 -0.138731 0.081349 0.074621 0.107109 10H 1py -0.042014 -0.057294 0.084815 -0.157854 0.084308 0.028393 11H 1s -0.073438 -0.014562 -0.032595 -0.030913 0.007197 0.018026 11H 2s 0.266903 -0.025650 -0.351795 0.420130 -0.026258 0.164229 11H 3s -0.061536 -0.045267 0.076535 -0.043910 -0.030084 -0.206981 11H 1pz -0.100658 -0.037491 0.020999 -0.040380 0.037017 -0.080227 11H 1px 0.333046 0.088258 -0.291117 0.375126 -0.100157 0.215055 11H 1py 0.166665 0.069776 -0.061846 0.151262 -0.074243 0.021699 12H 1s -0.166576 -0.030131 0.071877 -0.148640 0.043247 -0.029365 12H 2s 0.350709 0.113566 -0.095620 0.331975 0.052615 0.061992 12H 3s -0.089571 -0.032847 0.081644 -0.048069 -0.044900 -0.168415 12H 1pz 0.117335 0.042057 -0.065399 0.102249 -0.074197 0.132170 12H 1px 0.305450 0.108288 -0.212763 0.336204 -0.094777 0.123062 12H 1py -0.019227 0.015861 0.046452 -0.030947 0.060151 0.010805 13H 1s 0.164949 0.112754 0.301226 0.034516 -0.022525 0.042726 13H 2s -0.357690 -0.344921 -1.235927 -0.427181 0.322225 0.287206 13H 3s 0.208398 0.077446 0.230635 0.018532 -0.010075 0.057457 13H 1pz -0.081488 -0.037686 -0.222473 -0.089797 0.029190 0.003297 13H 1px -0.019397 0.030519 0.078065 0.091352 -0.088042 -0.183896 13H 1py 0.159845 0.181144 0.525558 0.098390 -0.084164 0.085633 14H 1s -0.154606 -0.068567 -0.228693 -0.068201 0.054313 -0.011812 14H 2s 0.014790 0.393257 0.599615 0.027381 -0.153650 0.390326 14H 3s 0.000946 -0.015402 -0.151866 -0.115134 0.089044 0.079718 14H 1pz -0.168073 0.018037 -0.175780 -0.090469 0.050322 -0.018150 14H 1px 0.070389 0.157712 0.380304 0.068126 -0.098575 0.154691 14H 1py -0.114172 -0.099859 -0.307968 -0.062088 0.083149 0.015895 15H 1s -0.032403 -0.050542 -0.020145 0.056776 -0.019670 -0.086839 15H 2s 0.319674 -0.090835 0.301667 0.235344 -0.150958 -0.360008 15H 3s 0.039028 0.058053 -0.112465 -0.134952 0.104443 0.178859 15H 1pz -0.041262 0.006359 -0.106970 -0.078466 0.063803 0.159085 15H 1px 0.247320 0.157837 0.604841 0.170214 -0.170894 0.049583 15H 1py -0.031821 0.093548 0.075264 -0.027914 -0.015757 0.094877 16H 1s -0.033517 -0.056850 0.074825 -0.021103 -0.258864 -0.074755 16H 2s 0.107874 0.181961 -0.125164 0.037639 0.860098 0.099488 16H 3s 0.109225 -0.044301 0.144184 -0.159789 -0.130021 -0.190765 16H 1pz 0.110004 0.095662 0.043272 -0.019251 0.352217 -0.020408 16H 1px 0.170426 0.056581 0.131342 -0.157946 0.246694 -0.157817 16H 1py -0.205569 -0.070310 -0.101992 0.174580 -0.268639 0.134478 17H 1s 0.007537 0.054692 -0.076500 0.096659 -0.171752 0.157044 17H 2s 0.025999 -0.061506 0.234090 -0.461931 0.687448 -0.543562 17H 3s 0.154199 0.121679 -0.044755 0.091348 -0.015305 0.146540 17H 1pz -0.226221 -0.090765 -0.117023 0.312433 -0.460838 0.212629 17H 1px 0.069833 0.037208 -0.032231 0.051950 -0.006350 0.101972 17H 1py -0.172316 -0.056203 -0.045106 0.033219 -0.210968 -0.018605 18H 1s -0.004317 -0.048120 0.073367 0.094493 0.228438 0.021940 18H 2s -0.035643 0.187862 -0.130017 -0.462533 -0.875708 -0.023556 18H 3s -0.154530 0.003053 0.121469 0.087070 0.102133 0.107272 18H 1pz -0.231029 0.133668 0.041160 -0.319741 -0.490214 0.102035 18H 1px 0.074574 0.015933 -0.045610 -0.049683 -0.066865 -0.078760 18H 1py -0.183181 0.060469 0.036789 -0.038821 -0.159338 0.144810 19H 1s 0.037735 0.046090 -0.084581 -0.024139 0.158578 -0.213420 19H 2s -0.123558 -0.050133 0.222187 0.043041 -0.605213 0.585713 19H 3s -0.108034 0.110990 -0.099295 -0.165894 -0.014769 -0.226158 19H 1pz 0.122679 -0.072674 -0.070601 0.025750 0.289168 -0.191726 19H 1px 0.177794 -0.135176 -0.002733 0.164078 0.286210 -0.021087 19H 1py -0.209799 0.115177 0.028652 -0.175477 -0.286575 0.052115 20H 1s 0.029728 -0.035078 -0.039021 0.055128 -0.041026 -0.080112 20H 2s -0.325490 0.246683 -0.210148 0.227135 -0.082476 -0.375778 20H 3s -0.035716 -0.085648 0.099298 -0.132571 0.020740 0.207316 20H 1pz -0.045417 0.092706 -0.049054 0.074386 -0.045696 -0.165277 20H 1px 0.259166 -0.613844 0.098122 -0.156978 -0.172053 0.060977 20H 1py -0.027072 -0.103866 -0.057055 0.028631 -0.066764 -0.065898 21H 1s 0.159464 -0.232450 0.030023 -0.062056 -0.052511 0.019587 21H 2s -0.025054 0.688471 0.125850 0.020185 0.364778 0.216153 21H 3s 0.003616 -0.147475 0.048210 -0.113512 -0.025191 0.119693 21H 1pz -0.169277 0.157524 -0.089780 0.085397 0.053366 -0.012956 21H 1px 0.077197 -0.410033 0.006541 -0.062828 -0.178087 -0.063589 21H 1py -0.120927 0.315757 -0.029975 0.053531 0.058723 -0.060994 22H 1s -0.168593 0.317152 -0.017160 0.027655 0.047048 0.023468 22H 2s 0.390935 -1.277852 0.177760 -0.399392 -0.092029 0.421216 22H 3s -0.214062 0.239065 -0.022190 0.011907 0.045796 0.044136 22H 1pz -0.084453 0.223455 -0.054595 0.084178 0.023810 -0.018038 22H 1px -0.010566 -0.083686 0.004329 -0.090873 0.041321 0.202407 22H 1py 0.169093 -0.551172 0.041987 -0.085663 -0.120128 -0.020688 23H 1s 0.167611 0.053025 -0.050296 -0.143470 -0.052113 0.002383 23H 2s -0.372428 -0.061216 0.128603 0.331066 -0.007255 0.093476 23H 3s 0.085124 0.064690 -0.060463 -0.045576 -0.063561 -0.168135 23H 1pz 0.114924 0.041777 -0.057571 -0.095085 -0.135399 -0.059658 23H 1px 0.322391 0.162549 -0.176296 -0.336884 -0.154657 -0.051012 23H 1py -0.013786 -0.043242 0.003038 0.026286 0.043372 -0.045887 24H 1s 0.085828 -0.030436 -0.000405 -0.033307 0.006952 0.015343 24H 2s -0.278262 -0.328861 0.109820 0.427025 0.127455 0.110181 24H 3s 0.058158 0.053607 -0.070476 -0.043426 -0.096860 -0.186144 24H 1pz -0.101115 -0.009341 0.039517 0.038386 0.079731 0.044407 24H 1px 0.336905 0.235096 -0.184732 -0.370099 -0.212599 -0.114151 24H 1py 0.179804 0.037186 -0.086115 -0.152414 -0.074263 0.019128 25H 1s -0.186655 -0.049918 0.101765 0.168143 0.107159 0.020198 25H 2s 0.515589 0.649891 -0.454178 -0.863000 -0.470352 -0.421367 25H 3s -0.212450 -0.067594 0.057788 0.154909 0.066288 -0.012429 25H 1pz -0.242281 -0.174176 0.187585 0.340372 0.214188 0.063309 25H 1px 0.016612 0.143013 -0.021780 -0.086034 -0.012917 -0.128226 25H 1py -0.054296 -0.054945 0.085650 0.159517 0.051923 -0.069730 26O 1s -0.002200 -0.000473 0.005244 -0.005842 -0.000930 -0.000299 26O 2s -0.003163 -0.001672 0.012866 -0.013867 -0.003134 0.004581 26O 3s -0.059561 0.014416 0.008712 -0.006356 0.011674 -0.142550 26O 4s 0.530848 -0.007081 -0.481869 0.407156 0.046552 0.678371 26O 5s -0.072943 -0.609898 -0.172265 0.647858 -0.152224 0.432137 26O 1pz 0.026190 0.020263 0.064737 -0.031523 0.015806 0.025279 26O 1px -0.027086 -0.009110 0.006983 -0.023886 0.003471 -0.024126 26O 1py -0.004363 0.000872 0.045219 -0.056218 0.029555 -0.032806 26O 2pz -0.067659 -0.022097 -0.026631 0.001801 -0.002878 -0.036747 26O 2px -0.171183 0.074522 0.218380 -0.160058 -0.061689 -0.321189 26O 2py -0.116359 0.028084 0.065268 -0.020971 -0.069021 -0.090578 26O 3pz -0.113321 -0.266390 0.458971 -0.323913 0.061595 -0.190551 26O 3px -0.316154 0.077656 0.202025 -0.453909 0.168390 -0.678343 26O 3py -0.167685 -0.217953 0.239575 -0.422335 0.170398 -0.422420 26O 1dz2 -0.002047 -0.001263 0.002873 -0.008527 0.000840 -0.001509 26O 1dxz -0.003328 0.000153 0.003393 -0.006147 -0.001079 -0.009223 26O 1dyz -0.003526 -0.001402 0.006421 -0.013592 0.005482 -0.006951 26O 1dx2y2 -0.000128 -0.000041 -0.001026 0.007039 -0.003572 0.006376 26O 1dxy -0.003316 -0.000375 0.003967 -0.004163 0.000401 -0.003325 26O 2dz2 -0.117012 -0.045500 0.112361 -0.148535 -0.000297 -0.083251 26O 2dxz -0.060955 -0.044068 -0.065381 0.115146 -0.036286 -0.098877 26O 2dyz -0.121251 -0.116982 0.074175 -0.076512 0.064698 -0.033815 26O 2dx2y2 0.043164 0.033284 -0.014982 0.078960 -0.039506 0.169308 26O 2dxy -0.001399 -0.032385 -0.006825 0.089820 0.008723 0.097281 26O 1f0 0.002181 0.000153 -0.001438 0.001261 0.003090 0.006070 26O 1f+1 0.004724 0.000417 -0.004702 0.003150 0.000751 0.016686 26O 1f-1 -0.001491 -0.003400 -0.002097 0.003330 0.004072 0.010533 26O 1f+2 0.002235 0.000151 0.001730 -0.005407 0.000241 -0.005713 26O 1f-2 -0.003162 -0.000149 -0.000636 0.002671 -0.003576 -0.004349 26O 1f+3 0.000400 0.001140 -0.002684 0.002879 -0.000864 0.008506 26O 1f-3 0.007252 -0.002450 -0.010058 0.006201 0.002468 0.020689 27O 1s -0.002622 -0.001004 -0.003964 -0.001914 0.001267 -0.000766 27O 2s -0.005953 -0.000901 -0.006540 -0.002498 0.000875 -0.005219 27O 3s -0.014702 -0.033527 -0.069161 -0.054546 0.070689 0.098719 27O 4s 0.248172 0.123490 0.583287 0.397787 -0.547272 -0.421554 27O 5s 0.489327 0.716697 0.232472 -0.155393 0.135102 -0.382881 27O 1pz 0.035754 -0.024509 -0.043329 0.001421 0.034815 -0.005297 27O 1px -0.018164 -0.026399 -0.074060 -0.026845 0.005317 0.014218 27O 1py -0.020439 -0.006345 0.022307 0.028725 -0.010596 0.008180 27O 2pz -0.035330 0.032787 0.042600 0.018112 -0.036818 -0.034798 27O 2px -0.143977 -0.052601 -0.132213 -0.139326 0.250736 0.280363 27O 2py 0.080546 0.006278 0.032252 -0.020077 -0.046157 -0.063158 27O 3pz 0.158026 -0.052447 -0.367881 0.038661 0.114649 -0.081884 27O 3px -0.450777 -0.534923 -0.720512 -0.143171 0.335967 0.277528 27O 3py 0.075561 0.107419 0.642481 0.183247 -0.159696 -0.016158 27O 1dz2 0.000720 -0.001306 0.001721 0.001453 -0.002216 -0.000880 27O 1dxz -0.003711 -0.005733 -0.008897 -0.003769 0.001101 0.002049 27O 1dyz 0.002519 0.005502 0.013936 0.002730 0.001508 0.004593 27O 1dx2y2 0.001743 0.006789 0.007340 0.002856 -0.000252 0.000549 27O 1dxy 0.003144 0.005759 0.011717 0.005325 -0.002948 -0.000640 27O 2dz2 -0.026660 -0.114205 -0.046545 0.013242 -0.017578 0.057213 27O 2dxz -0.093080 0.046772 -0.008476 -0.050199 0.007504 0.082437 27O 2dyz 0.035045 -0.008955 0.212472 0.000550 -0.017302 0.094954 27O 2dx2y2 0.093662 0.100330 0.220302 0.086719 -0.079897 -0.064873 27O 2dxy -0.030188 -0.081810 0.008082 0.018133 -0.063095 0.039331 27O 1f0 0.001228 -0.000438 -0.000285 -0.002788 0.001011 0.005448 27O 1f+1 0.006357 0.000494 0.007653 0.009299 -0.009912 -0.014039 27O 1f-1 0.000208 -0.000289 0.000915 -0.001164 0.000153 0.006246 27O 1f+2 0.003940 -0.001009 0.000732 -0.003200 -0.002765 0.000366 27O 1f-2 0.000047 -0.001851 -0.003039 -0.003159 -0.001462 0.000850 27O 1f+3 0.003054 0.006611 0.008257 0.007353 -0.007200 -0.010769 27O 1f-3 -0.000450 -0.003981 -0.006232 -0.006121 0.007869 0.012936 28O 1s 0.004868 -0.000090 0.001123 0.001475 0.001845 0.003790 28O 2s 0.013343 -0.000021 0.004055 0.001690 0.006402 0.012386 28O 3s -0.032872 -0.001970 -0.027191 0.041552 -0.055878 -0.092862 28O 4s -0.233596 0.003791 0.096631 -0.231192 0.166547 0.160340 28O 5s 0.107161 -0.063554 -0.616536 -0.228197 0.015319 0.151678 28O 1pz 0.008804 0.026813 -0.030686 0.041130 -0.004197 0.023223 28O 1px -0.024292 0.023525 0.016402 -0.013335 -0.024497 0.012552 28O 1py 0.005689 0.052248 0.005949 -0.002739 -0.016694 0.056667 28O 2pz 0.020665 -0.003090 0.127721 -0.030761 -0.085200 -0.178435 28O 2px -0.072533 -0.011613 -0.056474 -0.080258 0.080023 0.121449 28O 2py -0.006574 -0.041987 0.030937 -0.028399 -0.001159 -0.095576 28O 3pz 0.471026 0.029521 -0.520683 0.666147 -0.171763 0.247907 28O 3px -0.191283 0.163855 -0.112356 -0.426560 0.119401 0.141322 28O 3py 0.231448 0.185764 -0.349115 0.344634 -0.013874 0.184023 28O 1dz2 0.004493 -0.002623 -0.001973 0.008848 0.002573 0.002271 28O 1dxz 0.001186 0.000399 -0.001546 0.001116 0.001681 0.002348 28O 1dyz 0.005374 -0.000474 -0.006205 0.009712 0.002206 0.010250 28O 1dx2y2 -0.001720 0.001201 0.002522 -0.006011 0.000399 -0.003282 28O 1dxy 0.000404 0.000790 -0.002013 -0.001417 0.002010 0.002385 28O 2dz2 0.103782 -0.074508 -0.089594 0.022305 0.039361 -0.015837 28O 2dxz 0.102096 -0.004173 -0.047518 0.117792 0.009011 0.006184 28O 2dyz 0.132885 -0.008503 -0.201993 0.089531 0.002501 0.108223 28O 2dx2y2 -0.082017 0.057497 0.066484 -0.124425 0.013816 0.076927 28O 2dxy 0.058459 0.061356 -0.069075 0.042219 0.031947 0.115772 28O 1f0 -0.004216 0.002136 0.000751 -0.005331 0.001332 0.003812 28O 1f+1 -0.001208 -0.001790 0.000568 -0.009797 0.005566 0.009157 28O 1f-1 0.000469 0.002228 0.003774 -0.005603 -0.006549 -0.007673 28O 1f+2 0.002683 -0.001038 0.000097 0.011498 -0.005594 -0.009801 28O 1f-2 -0.001415 0.000221 0.003657 -0.004973 0.000907 0.001511 28O 1f+3 0.002672 -0.001026 0.004733 -0.000550 -0.002283 -0.005073 28O 1f-3 0.000986 0.000594 -0.000130 0.001312 0.000448 -0.000583 29O 1s -0.007315 -0.000092 -0.000538 0.003849 -0.010339 0.000360 29O 2s -0.023426 -0.000928 -0.002201 0.013533 -0.037226 0.002420 29O 3s 0.127768 0.017773 0.022129 -0.103986 0.313963 -0.048407 29O 4s -0.098568 -0.049527 -0.039421 0.155217 -0.652626 0.141967 29O 5s -0.290494 -0.076118 -0.128681 0.305400 -0.234061 0.139269 29O 1pz 0.024848 -0.041180 0.123235 -0.065233 -0.075719 -0.156556 29O 1px -0.122623 -0.068990 -0.016041 0.049855 0.015340 -0.070755 29O 1py 0.084039 0.047065 0.041693 -0.065687 0.051428 -0.021005 29O 2pz -0.017036 0.109238 -0.218051 0.236698 0.208322 0.360921 29O 2px 0.159339 0.096203 -0.017166 0.053091 -0.150006 0.219100 29O 2py -0.093592 -0.034896 -0.016150 -0.003097 0.129581 -0.064334 29O 3pz 0.110014 0.020674 0.110011 -0.049430 0.087760 -0.139972 29O 3px -0.261190 -0.140127 -0.105614 0.143700 -0.261769 0.053133 29O 3py 0.274929 0.074971 0.087622 -0.248573 0.546441 -0.154070 29O 1dz2 -0.000315 -0.000073 -0.000481 0.001904 0.001156 0.001763 29O 1dxz -0.001332 -0.000816 -0.000368 -0.001505 -0.000224 -0.002863 29O 1dyz -0.000861 0.000109 -0.001270 0.005022 0.001377 0.005768 29O 1dx2y2 0.003647 0.002548 0.002230 -0.002507 0.001333 0.000138 29O 1dxy 0.001580 0.000226 0.000248 0.001390 -0.000357 0.003433 29O 2dz2 0.238153 0.095783 0.082914 -0.202592 0.419665 -0.111731 29O 2dxz 0.111494 0.024233 0.089089 -0.116391 0.255646 -0.124671 29O 2dyz -0.126834 -0.057751 -0.066164 0.065062 -0.171536 0.074160 29O 2dx2y2 0.172376 0.054964 0.079509 -0.077394 0.137284 -0.030750 29O 2dxy 0.183389 0.087721 0.100583 -0.172756 0.260952 -0.103609 29O 1f0 0.004092 0.003891 0.001837 -0.005739 0.025513 -0.005698 29O 1f+1 -0.002830 -0.001666 -0.001322 0.005426 -0.010657 0.004295 29O 1f-1 0.002698 0.005778 -0.003618 0.000366 0.030519 0.001492 29O 1f+2 -0.001811 -0.002071 -0.000203 -0.001253 -0.005157 -0.003230 29O 1f-2 0.000580 -0.004146 0.010346 -0.017774 0.018984 -0.020354 29O 1f+3 0.001445 0.001318 -0.001565 0.002107 0.006752 0.001368 29O 1f-3 0.003768 0.004739 -0.002856 0.004646 0.000031 0.005624 30O 1s 0.001215 0.001800 0.004363 0.002634 0.000507 -0.001641 30O 2s 0.002461 0.003740 0.011640 0.008117 0.002220 -0.007421 30O 3s 0.007994 0.005786 -0.022217 -0.045674 -0.019638 0.104427 30O 4s -0.148598 -0.071314 -0.222283 0.032831 0.083525 -0.379946 30O 5s 0.266341 -0.368519 0.157985 -0.001737 0.124067 -0.532518 30O 1pz -0.030407 0.031878 0.066763 -0.001142 -0.009515 0.019904 30O 1px -0.026510 -0.009828 0.023686 -0.009137 0.014039 0.018743 30O 1py -0.003497 -0.000995 -0.029562 -0.030213 0.026748 0.017309 30O 2pz 0.043163 -0.009320 -0.035458 -0.053783 0.025998 0.159841 30O 2px -0.004659 -0.032544 -0.077255 0.037970 -0.014991 -0.220083 30O 2py -0.016009 -0.013681 0.017087 0.120911 -0.091158 -0.220144 30O 3pz 0.011373 0.180363 0.572526 0.318830 -0.355482 0.110505 30O 3px -0.088407 -0.280588 0.118725 -0.024656 0.181949 -0.321562 30O 3py 0.026989 -0.142601 -0.791550 -0.527012 0.421004 -0.131566 30O 1dz2 0.002239 0.001610 0.001831 -0.000070 0.002182 0.001571 30O 1dxz 0.000378 0.001402 0.002688 0.005780 -0.002618 -0.002659 30O 1dyz -0.002911 -0.006788 -0.009351 -0.003937 0.003883 0.001827 30O 1dx2y2 -0.000329 -0.006458 -0.005072 -0.002917 0.004291 -0.001166 30O 1dxy 0.000877 -0.001543 -0.004171 -0.005920 0.003920 0.005178 30O 2dz2 0.056215 -0.005214 -0.073365 -0.033034 0.067486 0.019695 30O 2dxz 0.031367 0.043669 0.130344 0.097630 -0.091329 0.021380 30O 2dyz -0.083680 0.043213 -0.111124 -0.029449 0.089591 0.114994 30O 2dx2y2 -0.021005 -0.030467 -0.007296 0.012352 0.096260 -0.063645 30O 2dxy -0.009495 -0.043430 -0.172896 -0.119794 0.091035 0.012776 30O 1f0 -0.001224 -0.000438 0.000464 0.008924 -0.004358 -0.015718 30O 1f+1 0.001006 0.000195 0.000188 -0.000927 -0.000840 -0.000624 30O 1f-1 -0.001751 -0.000168 -0.004263 -0.001252 -0.000054 -0.003096 30O 1f+2 -0.003444 0.004817 0.000032 0.001972 -0.003465 0.002123 30O 1f-2 0.003126 0.005723 0.008400 -0.001906 0.003445 0.016660 30O 1f+3 0.001674 -0.006044 -0.005787 0.000449 -0.001625 -0.004323 30O 1f-3 0.001978 0.001553 0.003028 -0.002274 -0.000918 0.008853 31O 1s -0.001437 0.004648 -0.000146 0.002594 -0.001395 -0.000954 31O 2s -0.003145 0.012036 -0.001358 0.008016 -0.006314 -0.004420 31O 3s -0.004006 -0.019057 0.014412 -0.045636 0.079754 0.070954 31O 4s 0.146483 -0.223794 0.027265 0.036450 -0.297114 -0.255753 31O 5s -0.271837 0.011107 -0.409719 -0.006172 -0.434848 -0.350614 31O 1pz -0.030065 -0.072879 -0.004814 0.002496 -0.020485 -0.008302 31O 1px -0.027992 -0.018489 0.016919 0.010248 -0.000737 -0.023163 31O 1py -0.003885 0.028887 -0.010979 0.030114 0.014536 -0.031038 31O 2pz 0.039929 0.039250 -0.004030 0.053054 -0.074663 -0.147972 31O 2px -0.000935 0.080757 -0.000551 -0.038942 0.121933 0.186284 31O 2py -0.011170 -0.016249 0.020302 -0.121510 0.054378 0.234850 31O 3pz 0.027346 -0.601333 0.066638 -0.307898 -0.342670 0.124527 31O 3px -0.089132 -0.008676 0.298226 0.028057 0.338456 0.151465 31O 3py 0.003141 0.793915 -0.189924 0.515025 0.412074 -0.151347 31O 1dz2 -0.002223 0.002212 0.000761 -0.000147 -0.000818 0.002627 31O 1dxz -0.000573 0.003043 0.000170 0.005717 0.000627 -0.003748 31O 1dyz 0.003328 -0.011153 -0.002406 -0.003806 -0.002082 0.003895 31O 1dx2y2 0.000545 -0.007161 -0.003779 -0.002954 -0.004326 0.001709 31O 1dxy -0.000599 -0.004509 0.000257 -0.005844 -0.000124 0.006628 31O 2dz2 -0.053027 -0.070155 0.022537 -0.031546 -0.043337 0.057625 31O 2dxz -0.036205 0.136078 -0.012994 0.094893 0.085536 -0.036887 31O 2dyz 0.090786 -0.086227 0.086835 -0.026760 0.002335 0.145620 31O 2dx2y2 0.024373 -0.016629 -0.021869 0.010285 -0.111644 0.006775 31O 2dxy 0.017109 -0.177113 0.030152 -0.117261 -0.064952 0.065831 31O 1f0 -0.000797 -0.000659 0.000683 -0.008934 0.005964 0.015361 31O 1f+1 0.001016 -0.000265 -0.000017 0.000894 -0.000128 0.000975 31O 1f-1 -0.001753 0.003966 -0.001498 0.001062 0.001890 0.002620 31O 1f+2 -0.003344 -0.001908 -0.004351 -0.002183 -0.004145 0.000531 31O 1f-2 0.002969 -0.009950 -0.001846 0.002053 -0.007219 -0.015527 31O 1f+3 0.001511 0.007760 0.003280 -0.000514 0.001180 0.004329 31O 1f-3 0.001739 -0.003222 -0.000146 0.002273 -0.006201 -0.006600 32O 1s 0.007679 -0.000375 -0.000358 0.003619 0.008193 -0.006144 32O 2s 0.024639 -0.001848 -0.001570 0.012813 0.030245 -0.021105 32O 3s -0.135647 0.023336 0.016978 -0.100512 -0.273374 0.152502 32O 4s 0.109405 -0.050474 -0.040998 0.151573 0.597133 -0.278260 32O 5s 0.300148 -0.132594 -0.022622 0.317941 0.260404 -0.023452 32O 1pz 0.024128 -0.090985 0.086986 0.064491 0.029077 0.169016 32O 1px -0.124276 0.038363 0.053899 -0.055847 0.052771 0.046864 32O 1py 0.084307 -0.054890 -0.022191 0.071078 0.053797 -0.009174 32O 2pz -0.014202 0.154795 -0.182942 -0.241050 -0.062125 -0.406282 32O 2px 0.159880 -0.018103 -0.088074 -0.047867 -0.251972 -0.084440 32O 2py -0.090997 0.029550 0.016867 -0.006006 0.138569 -0.034736 32O 3pz 0.108682 -0.100443 0.025546 0.046542 0.134845 0.060973 32O 3px -0.268600 0.145625 0.084284 -0.152435 -0.245591 0.116967 32O 3py 0.285832 -0.100648 -0.039733 0.254200 0.521126 -0.200332 32O 1dz2 0.000333 -0.000584 -0.000008 0.001636 0.000246 0.001907 32O 1dxz 0.001397 -0.000635 -0.000614 -0.001667 -0.001704 -0.002505 32O 1dyz 0.000853 -0.001135 0.000557 0.005140 0.002646 0.005360 32O 1dx2y2 -0.003698 0.002938 0.001458 -0.002723 -0.001084 0.000919 32O 1dxy -0.001639 0.000279 0.000095 0.001306 0.002415 0.002503 32O 2dz2 -0.254129 0.110626 0.062081 -0.209788 -0.406459 0.165908 32O 2dxz -0.112518 0.082129 -0.010145 -0.112470 -0.262747 0.050352 32O 2dyz 0.118239 -0.070941 -0.025107 0.055829 0.153864 -0.035440 32O 2dx2y2 -0.175934 0.088395 0.020396 -0.076571 -0.122696 0.060503 32O 2dxy -0.195486 0.123423 0.042540 -0.181932 -0.275985 0.075764 32O 1f0 0.004324 -0.002997 -0.002725 0.005656 0.022049 -0.009448 32O 1f+1 -0.003179 0.002122 0.001057 -0.006181 -0.012528 0.003004 32O 1f-1 0.003352 0.001172 -0.006812 -0.000004 0.024007 -0.019424 32O 1f+2 -0.001902 0.000921 0.001791 0.000941 -0.003186 0.006090 32O 1f-2 0.000505 -0.007763 0.007458 0.017940 0.026758 0.005462 32O 1f+3 0.001551 0.000702 -0.001556 -0.001595 0.005165 -0.004719 32O 1f-3 0.003989 0.000835 -0.005297 -0.004620 -0.003141 -0.004735 33O 1s -0.004832 0.000905 -0.000599 0.001323 0.000838 0.004215 33O 2s -0.013108 0.003477 -0.001781 0.001231 0.002444 0.013958 33O 3s 0.029509 -0.025108 0.008570 0.042994 -0.011835 -0.108196 33O 4s 0.240874 0.094632 -0.028611 -0.225664 -0.042137 0.223438 33O 5s -0.092819 -0.603533 0.196490 -0.201535 0.145505 0.126950 33O 1pz 0.010922 0.017904 -0.036155 -0.043051 -0.015283 -0.017236 33O 1px -0.023962 -0.025923 -0.015472 0.013547 -0.024245 0.003525 33O 1py 0.009207 -0.025290 -0.044700 0.002863 -0.044413 -0.036563 33O 2pz 0.023021 -0.118253 0.054162 0.039155 0.043842 0.193314 33O 2px -0.077363 0.057678 -0.013899 0.074669 -0.014284 -0.142078 33O 2py -0.009411 -0.014226 0.050157 0.030641 0.057150 0.078448 33O 3pz 0.465950 0.482115 -0.217714 -0.660589 -0.312630 -0.100672 33O 3px -0.197618 0.035235 -0.206092 0.414216 0.007622 -0.187996 33O 3py 0.228455 0.254632 -0.300185 -0.346418 -0.139432 -0.140236 33O 1dz2 -0.004789 -0.003009 -0.001745 0.008927 -0.000645 0.003377 33O 1dxz -0.001001 -0.001284 0.001011 0.001159 0.000331 0.002837 33O 1dyz -0.005380 -0.006042 0.001745 0.009751 0.004477 0.009572 33O 1dx2y2 0.001747 0.002843 0.000194 -0.005998 -0.002420 -0.002346 33O 1dxy -0.000164 -0.001559 0.001528 -0.001368 -0.000083 0.003120 33O 2dz2 -0.102591 -0.117604 -0.033644 0.024306 -0.031218 0.010250 33O 2dxz -0.101712 -0.047567 0.012666 0.115952 0.000356 0.010712 33O 2dyz -0.126540 -0.193961 0.069229 0.091436 0.075050 0.089053 33O 2dx2y2 0.081374 0.085714 0.028966 -0.123416 0.027746 0.071755 33O 2dxy -0.056126 -0.038930 0.080853 0.040435 0.042427 0.113406 33O 1f0 -0.004340 -0.001474 -0.001835 0.005131 -0.001419 -0.003888 33O 1f+1 -0.001731 0.000260 0.001740 0.009650 -0.001054 -0.010547 33O 1f-1 0.000577 -0.004499 -0.000543 0.005876 -0.000274 0.010036 33O 1f+2 0.003300 0.000358 0.001093 -0.011420 0.001384 0.011145 33O 1f-2 -0.001612 -0.003385 0.001218 0.004988 -0.000005 -0.001797 33O 1f+3 0.002981 -0.003761 0.002897 0.000678 0.001449 0.005362 33O 1f-3 0.000813 -0.000234 -0.000531 -0.001167 0.000681 0.000139 34O 1s 0.002636 -0.004082 0.000680 -0.001747 -0.001549 0.000236 34O 2s 0.005684 -0.006441 0.001779 -0.002104 -0.004058 -0.003322 34O 3s 0.022165 -0.077361 -0.001719 -0.054568 0.003443 0.119264 34O 4s -0.281570 0.591112 -0.128756 0.388164 0.189371 -0.665618 34O 5s -0.521296 0.471136 0.554937 -0.158385 -0.349700 -0.206631 34O 1pz 0.033451 0.049379 0.006637 -0.002708 0.029187 -0.017496 34O 1px -0.020194 0.078275 -0.005254 0.025647 -0.003614 -0.013440 34O 1py -0.018680 -0.020835 0.015486 -0.028312 -0.010276 -0.000431 34O 2pz -0.031226 -0.052888 -0.014090 -0.016999 -0.005996 0.051229 34O 2px -0.159455 0.142554 -0.009845 0.136697 0.033708 -0.376019 34O 2py 0.081527 -0.028459 0.007443 0.020914 -0.003045 0.078288 34O 3pz 0.160039 0.359966 -0.092242 -0.043556 0.140270 -0.012149 34O 3px -0.474694 0.854313 0.199673 0.127359 0.118157 -0.417938 34O 3py 0.079187 -0.635667 0.153794 -0.171061 -0.129848 0.116944 34O 1dz2 -0.000871 0.001243 -0.001930 0.001348 0.001220 -0.001950 34O 1dxz 0.004041 -0.010415 -0.001635 -0.003557 0.000294 0.002237 34O 1dyz -0.002741 0.015004 -0.000478 0.002449 0.001624 0.004642 34O 1dx2y2 -0.001859 0.009485 0.003307 0.002781 0.000654 0.000401 34O 1dxy -0.003675 0.013143 0.000551 0.005029 0.002017 -0.002159 34O 2dz2 0.029724 -0.084146 -0.086411 0.012835 0.048386 0.035311 34O 2dxz 0.093178 0.009674 0.048350 -0.049077 0.039912 0.069466 34O 2dyz -0.033613 0.191324 -0.092076 -0.002725 0.074607 0.063842 34O 2dx2y2 -0.097785 0.239544 0.004075 0.082934 0.032298 -0.099017 34O 2dxy 0.031770 -0.024384 -0.077098 0.016783 0.077644 -0.007423 34O 1f0 0.001019 0.000531 0.000251 0.002801 -0.002408 -0.005004 34O 1f+1 0.007064 -0.007365 0.002816 -0.009017 0.000469 0.017108 34O 1f-1 -0.000005 -0.000671 0.000564 0.001254 -0.003572 -0.005167 34O 1f+2 0.003904 -0.000188 0.001242 0.003352 -0.002196 0.001279 34O 1f-2 -0.000091 0.003744 0.000452 0.003059 -0.001771 0.000248 34O 1f+3 0.003925 -0.010268 -0.002686 -0.007156 0.000701 0.012932 34O 1f-3 -0.001091 0.007350 0.001114 0.006021 -0.001414 -0.015150 35O 1s 0.002323 0.004750 -0.002392 -0.005908 0.000375 -0.000824 35O 2s 0.003590 0.011450 -0.006339 -0.014101 0.004823 0.001766 35O 3s 0.056038 0.014218 0.010019 -0.004991 -0.095883 -0.108092 35O 4s -0.522493 -0.461308 0.172917 0.407903 0.387683 0.580701 35O 5s 0.086588 -0.387970 -0.491790 0.636757 0.419691 0.228232 35O 1pz 0.027798 -0.068073 0.007710 0.034230 0.003971 -0.031590 35O 1px -0.027292 -0.002155 0.011417 0.023225 0.018487 0.017990 35O 1py -0.003820 -0.042377 0.015055 0.056423 0.044072 0.008799 35O 2pz -0.070343 0.033399 0.007465 -0.004325 0.012804 0.033415 35O 2px -0.162943 -0.236160 0.012457 0.160893 0.152304 0.294344 35O 2py -0.115068 -0.073705 -0.000801 0.020985 0.002556 0.114344 35O 3pz -0.128479 -0.325993 0.421398 0.332553 0.166832 0.122414 35O 3px -0.320675 -0.218976 0.003405 0.442859 0.550248 0.442394 35O 3py -0.183706 -0.144099 0.288087 0.422880 0.394321 0.243485 35O 1dz2 0.002347 0.002131 -0.002235 -0.008541 -0.001748 -0.000685 35O 1dxz 0.003313 0.003154 -0.001154 -0.006090 -0.004757 -0.008071 35O 1dyz 0.003862 0.005406 -0.003671 -0.013490 -0.008712 -0.002425 35O 1dx2y2 0.000000 -0.000959 0.000302 0.006999 0.006740 0.002969 35O 1dxy 0.003241 0.003469 -0.001776 -0.004070 -0.002307 -0.002562 35O 2dz2 0.121741 0.086735 -0.082755 -0.147936 -0.049554 -0.069047 35O 2dxz 0.057736 -0.077683 -0.013988 0.118363 -0.023143 -0.104696 35O 2dyz 0.128282 0.026355 -0.133074 -0.075750 -0.067257 0.004716 35O 2dx2y2 -0.043662 0.000009 0.035511 0.077191 0.132066 0.114225 35O 2dxy -0.001672 -0.020809 -0.027362 0.090570 0.055561 0.080154 35O 1f0 0.002089 0.001305 -0.000580 -0.001282 -0.001136 -0.006685 35O 1f+1 0.004390 0.004341 -0.002138 -0.003101 -0.009658 -0.013919 35O 1f-1 -0.001679 0.003333 0.002223 -0.003391 -0.003239 -0.010880 35O 1f+2 0.002315 -0.001553 0.000489 0.005491 0.003703 0.004378 35O 1f-2 -0.003099 0.000431 -0.000185 -0.002560 -0.000360 0.005662 35O 1f+3 0.000081 0.001929 -0.002029 -0.002836 -0.005967 -0.006165 35O 1f-3 0.006633 0.010288 -0.001498 -0.006100 -0.010649 -0.018134 438 439 440 441 442 443 2.46349 2.50784 2.51202 2.51765 2.54536 2.54918 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s 0.004579 -0.000882 0.000615 -0.000581 0.000172 0.000243 0Rh 2s -0.023290 0.005142 -0.003091 0.002708 -0.000568 -0.001013 0Rh 3s 0.012836 -0.002080 0.001749 -0.001786 0.000668 0.000822 0Rh 4s 0.119042 -0.026500 0.015862 -0.013998 0.002918 0.005256 0Rh 5s -0.174334 0.044773 -0.023476 0.021061 -0.002692 -0.007395 0Rh 6s -0.094055 -0.009994 -0.011391 0.003169 -0.009249 -0.003271 0Rh 7s 0.661506 0.005743 0.059007 -0.005888 0.042385 -0.007939 0Rh 8s 0.343377 0.118864 0.062621 0.215817 0.024414 -0.097521 0Rh 1pz -0.009225 0.006524 -0.001051 0.008681 0.003641 -0.001123 0Rh 1px 0.002611 0.005360 0.000187 0.003678 0.000526 -0.000551 0Rh 1py 0.002835 -0.008687 0.001277 0.007441 0.002851 -0.003157 0Rh 2pz 0.033059 -0.023780 0.003892 -0.031576 -0.013202 0.004078 0Rh 2px -0.009180 -0.019432 -0.000671 -0.013210 -0.001818 0.001988 0Rh 2py -0.010095 0.031551 -0.004500 -0.027105 -0.010360 0.011523 0Rh 3pz -0.031155 0.030480 -0.006394 0.039024 0.014610 -0.004986 0Rh 3px 0.004827 0.022543 0.000686 0.012682 0.000055 -0.002101 0Rh 3py 0.007902 -0.038065 0.002493 0.034139 0.012752 -0.014967 0Rh 4pz -0.100302 0.039958 -0.000146 0.057899 0.037349 -0.006557 0Rh 4px 0.044062 0.043721 0.001796 0.041179 0.014252 -0.005354 0Rh 4py 0.039732 -0.062724 0.021789 0.048123 0.018061 -0.018327 0Rh 5pz 0.166795 -0.061685 -0.003258 -0.081357 -0.092729 0.002914 0Rh 5px -0.072464 -0.074689 -0.001627 -0.072368 -0.035133 0.007091 0Rh 5py -0.087042 0.096602 -0.043398 -0.068760 -0.019190 0.021685 0Rh 6pz 0.479294 -0.331110 0.072768 -0.833632 0.207377 0.053288 0Rh 6px 0.058732 -0.352893 -0.024726 -0.291011 0.140431 0.093279 0Rh 6py 0.390548 0.786481 0.050255 -0.626090 -0.360225 0.460010 0Rh 1dz2 0.011575 -0.004746 0.011822 -0.010280 0.005272 0.013997 0Rh 1dxz 0.012351 0.006301 0.001571 0.005790 -0.002428 0.000857 0Rh 1dyz 0.000547 0.007197 0.019788 -0.007096 0.000763 0.006744 0Rh 1dx2y2 -0.016486 0.009277 0.003474 0.006966 -0.001034 0.004644 0Rh 1dxy -0.009260 -0.003615 0.005280 0.011201 0.004624 -0.000442 0Rh 2dz2 -0.000959 -0.000189 -0.006917 0.001406 0.004051 -0.001079 0Rh 2dxz -0.002326 0.002094 0.000483 0.002118 -0.000847 -0.001062 0Rh 2dyz 0.002384 -0.000950 -0.018062 0.002707 0.009669 -0.001870 0Rh 2dx2y2 0.005620 -0.001209 -0.001564 -0.002102 0.001560 0.000384 0Rh 2dxy 0.002785 -0.001579 -0.006827 0.001094 0.003676 -0.000714 0Rh 3dz2 -0.027904 0.014225 -0.001450 0.022390 -0.033375 -0.034792 0Rh 3dxz -0.023965 -0.027211 -0.006642 -0.026007 0.010715 0.002280 0Rh 3dyz -0.012322 -0.015849 0.026938 0.007579 -0.046256 -0.010247 0Rh 3dx2y2 0.020921 -0.020558 -0.002473 -0.010124 -0.004214 -0.015065 0Rh 3dxy 0.013375 0.017522 0.016409 -0.036621 -0.029944 0.004625 0Rh 4dz2 -0.014324 -0.003715 -0.111260 0.023506 0.064114 -0.014130 0Rh 4dxz -0.035175 0.033050 0.008023 0.035188 -0.013343 -0.014471 0Rh 4dyz 0.037055 -0.015982 -0.285432 0.042873 0.152449 -0.034300 0Rh 4dx2y2 0.081325 -0.019694 -0.027217 -0.031825 0.024585 0.008907 0Rh 4dxy 0.041221 -0.027349 -0.108596 0.018285 0.059318 -0.012979 0Rh 5dz2 0.144621 -0.011975 0.489028 -0.180793 -0.186531 0.161746 0Rh 5dxz 0.219660 -0.082753 -0.014644 -0.110964 0.028183 0.047375 0Rh 5dyz -0.101204 0.132395 1.151070 -0.213343 -0.542646 0.245213 0Rh 5dx2y2 -0.386374 0.153434 0.136255 0.180777 -0.093761 -0.015826 0Rh 5dxy -0.210882 0.097411 0.421536 0.019958 -0.181997 0.063212 0Rh 1f0 -0.041629 0.100865 -0.046743 -0.090143 -0.040492 0.039458 0Rh 1f+1 0.014026 -0.016988 0.035500 -0.070484 -0.005788 -0.011509 0Rh 1f-1 0.108800 -0.000099 -0.045858 -0.238526 -0.042680 0.084161 0Rh 1f+2 -0.020452 0.189549 -0.027564 0.149145 -0.021991 -0.021772 0Rh 1f-2 -0.054505 0.120579 0.087688 -0.065774 -0.005283 0.020384 0Rh 1f+3 0.092357 -0.123964 0.009198 0.008566 0.014492 -0.023831 0Rh 1f-3 0.035940 0.107068 -0.055708 -0.038019 -0.016602 0.044330 1Rh 1s 0.004573 0.000831 0.000617 0.000537 0.000182 -0.000209 1Rh 2s -0.023221 -0.004892 -0.003003 -0.002474 -0.000583 0.000914 1Rh 3s 0.012847 0.001928 0.001814 0.001666 0.000723 -0.000680 1Rh 4s 0.118692 0.025217 0.015409 0.012794 0.002996 -0.004744 1Rh 5s -0.173618 -0.042925 -0.022310 -0.019160 -0.002639 0.007004 1Rh 6s -0.094592 0.011112 -0.012952 -0.003004 -0.009865 0.001389 1Rh 7s 0.660199 -0.009519 0.057218 0.010148 0.042054 0.013947 1Rh 8s 0.341479 -0.126533 0.055186 -0.221875 0.009415 0.101216 1Rh 1pz 0.009246 0.006419 0.001471 0.008502 -0.003474 -0.001970 1Rh 1px -0.002574 0.005332 0.000099 0.003612 -0.000505 -0.000611 1Rh 1py -0.003018 -0.008564 -0.001444 0.007332 -0.002298 -0.003888 1Rh 2pz -0.033114 -0.023397 -0.005423 -0.030921 0.012596 0.007149 1Rh 2px 0.009051 -0.019334 -0.000360 -0.012980 0.001743 0.002187 1Rh 2py 0.010758 0.031109 0.005099 -0.026710 0.008341 0.014181 1Rh 3pz 0.030783 0.029969 0.008301 0.038135 -0.013865 -0.008389 1Rh 3px -0.004774 0.022466 0.000407 0.012573 0.000036 -0.001893 1Rh 3py -0.008700 -0.037634 -0.003097 0.033624 -0.010090 -0.018220 1Rh 4pz 0.102390 0.039475 0.002953 0.057011 -0.036256 -0.015160 1Rh 4px -0.043392 0.043351 0.000906 0.039918 -0.014056 -0.007913 1Rh 4py -0.040984 -0.061434 -0.023544 0.047574 -0.015061 -0.023246 1Rh 5pz -0.171781 -0.061321 -0.001132 -0.080008 0.091265 0.023880 1Rh 5px 0.071604 -0.073885 -0.002411 -0.069386 0.034815 0.013448 1Rh 5py 0.088828 0.094363 0.047061 -0.068379 0.015859 0.028244 1Rh 6pz -0.457483 -0.320767 -0.100442 -0.822372 -0.194572 0.014009 1Rh 6px -0.075835 -0.352278 -0.016760 -0.299233 -0.140884 0.064895 1Rh 6py -0.375249 0.784510 -0.054366 -0.610017 0.279477 0.535985 1Rh 1dz2 0.011451 0.004223 0.012456 0.009947 0.007762 -0.012711 1Rh 1dxz 0.012806 -0.006340 0.001520 -0.005802 -0.002045 -0.001234 1Rh 1dyz 0.000821 -0.007734 0.019643 0.006441 0.001651 -0.006301 1Rh 1dx2y2 -0.016493 -0.009239 0.002677 -0.007043 0.000221 -0.004660 1Rh 1dxy -0.008969 0.003538 0.005116 -0.011128 0.004476 0.001634 1Rh 2dz2 -0.000975 0.000392 -0.006922 -0.001039 0.003798 0.001991 1Rh 2dxz -0.002318 -0.002080 0.000336 -0.002135 -0.000964 0.000876 1Rh 2dyz 0.002495 0.001428 -0.018041 -0.001786 0.009185 0.004067 1Rh 2dx2y2 0.005700 0.001206 -0.001411 0.002151 0.001513 -0.000012 1Rh 2dxy 0.002849 0.001762 -0.006754 -0.000773 0.003453 0.001540 1Rh 3dz2 -0.027486 -0.013690 -0.003205 -0.023140 -0.039298 0.026998 1Rh 3dxz -0.025259 0.027258 -0.005825 0.026121 0.010135 -0.000368 1Rh 3dyz -0.013573 0.015167 0.027246 -0.009938 -0.046505 -0.001023 1Rh 3dx2y2 0.020575 0.020455 -0.000925 0.010106 -0.007590 0.013410 1Rh 3dxy 0.012273 -0.018144 0.016530 0.034943 -0.028491 -0.011790 1Rh 4dz2 -0.014657 0.006960 -0.111393 -0.017642 0.060863 0.028600 1Rh 4dxz -0.035149 -0.032861 0.005616 -0.035482 -0.014652 0.011587 1Rh 4dyz 0.038490 0.023620 -0.285122 -0.028386 0.143904 0.068865 1Rh 4dx2y2 0.082572 0.019777 -0.024809 0.032751 0.024494 -0.003021 1Rh 4dxy 0.042171 0.030267 -0.107368 -0.013119 0.055503 0.026345 1Rh 5dz2 0.147049 -0.003822 0.495791 0.157496 -0.157125 -0.203265 1Rh 5dxz 0.223961 0.081839 -0.003676 0.112197 0.032666 -0.040594 1Rh 5dyz -0.100067 -0.164514 1.149471 0.157084 -0.492720 -0.364781 1Rh 5dx2y2 -0.391613 -0.154227 0.119116 -0.185795 -0.087635 -0.004889 1Rh 5dxy -0.211037 -0.108420 0.414392 -0.038222 -0.165914 -0.102757 1Rh 1f0 0.041089 0.098541 0.047279 -0.090423 0.034067 0.047855 1Rh 1f+1 -0.012976 -0.016403 -0.037727 -0.069352 0.008837 -0.010640 1Rh 1f-1 -0.105875 -0.000814 0.039620 -0.236701 0.029855 0.093556 1Rh 1f+2 0.018753 0.187966 0.038256 0.148672 0.023037 -0.016700 1Rh 1f-2 0.056880 0.121576 -0.084786 -0.063100 0.001512 0.020808 1Rh 1f+3 -0.092384 -0.122468 -0.012699 0.009084 -0.010344 -0.026209 1Rh 1f-3 -0.033117 0.105540 0.060073 -0.039079 0.008262 0.047531 2C 1s -0.001241 0.001950 -0.000976 0.001095 0.002524 -0.000197 2C 2s -0.004990 0.004542 -0.003858 -0.000031 0.006882 0.000189 2C 3s -0.085565 -0.129721 0.174814 -0.252900 -0.278482 0.054448 2C 4s 0.925639 0.583475 -0.270420 1.830013 1.153855 -0.452422 2C 5s -0.302401 0.308125 1.924947 0.108678 0.687613 0.184481 2C 1pz -0.013099 -0.047300 0.062336 -0.100969 -0.161626 -0.078888 2C 1px -0.060981 -0.037441 -0.029469 -0.141338 -0.029109 0.075317 2C 1py -0.035296 -0.026131 0.081603 -0.013586 0.025039 0.133374 2C 2pz 0.440261 0.332226 -0.051189 0.621701 -0.049451 -0.985766 2C 2px -0.150089 0.132446 -0.433212 -0.375110 0.002150 0.222830 2C 2py 0.790982 0.068746 0.449757 1.485438 1.145697 0.818233 2C 3pz -0.081915 0.074192 0.411472 0.057933 0.263373 0.137027 2C 3px 0.006693 0.012633 0.084236 0.136328 0.074913 -0.059625 2C 3py -0.085983 0.033239 0.241111 -0.016098 0.037854 -0.105853 2C 1dz2 -0.007772 0.025383 -0.043182 -0.011371 -0.050467 -0.097993 2C 1dxz -0.098200 0.018916 -0.093060 -0.136787 -0.031936 -0.003546 2C 1dyz 0.053849 0.016686 0.004318 0.122515 0.074492 -0.007716 2C 1dx2y2 -0.023904 0.009566 0.037183 -0.042550 -0.083693 -0.105232 2C 1dxy 0.000427 0.002753 0.026394 0.038470 0.067324 0.105949 2C 2dz2 0.059000 0.028065 0.086813 0.275455 0.534708 0.656350 2C 2dxz 0.660779 0.036480 0.605771 1.136922 0.276470 -0.145080 2C 2dyz 0.004204 0.025928 -0.170482 -0.127427 -0.090691 -0.167014 2C 2dx2y2 -0.087117 0.024673 0.079215 0.146692 0.402391 0.621681 2C 2dxy 0.014823 0.163932 0.030380 0.058987 -0.340154 -0.695306 2C 1f0 -0.005265 -0.014716 0.013609 0.046633 0.092761 0.131904 2C 1f+1 -0.030153 -0.001801 -0.035272 -0.086316 -0.076293 -0.069796 2C 1f-1 0.047199 0.024284 -0.018263 0.061688 0.004507 -0.082328 2C 1f+2 -0.039585 -0.010414 0.046120 -0.036851 -0.037690 -0.030256 2C 1f-2 0.006026 0.020018 0.006761 0.077484 0.080239 0.056583 2C 1f+3 -0.003766 -0.012349 0.049008 0.017472 0.059476 0.124821 2C 1f-3 -0.005463 -0.016289 -0.030907 -0.058728 -0.026877 0.025564 3C 1s -0.001559 0.000753 0.000342 -0.001562 -0.001984 -0.000848 3C 2s -0.005730 -0.000498 0.001256 -0.004335 -0.005707 -0.002858 3C 3s -0.028430 -0.242102 -0.181692 0.122346 0.303635 0.027867 3C 4s 0.790393 1.803480 0.492129 -0.545591 -1.310151 0.032253 3C 5s 1.261563 0.212451 -1.649027 0.024462 -0.561236 -0.102752 3C 1pz 0.023696 0.050252 -0.097743 0.002449 0.002737 -0.014993 3C 1px -0.045538 -0.084451 -0.035054 -0.003905 -0.011045 -0.085064 3C 1py -0.004053 0.121416 0.053902 -0.055575 -0.164555 -0.047892 3C 2pz 0.959852 1.736811 -0.468248 -0.229952 -0.883855 -0.218998 3C 2px 0.249331 0.439826 0.156194 0.049571 -0.346372 -0.631686 3C 2py -0.284721 -0.365402 -0.321603 0.268241 0.161577 -0.462494 3C 3pz 0.130887 -0.062720 -0.195862 0.015901 -0.073647 -0.016390 3C 3px 0.125488 0.087600 -0.105424 -0.000400 -0.004035 0.068534 3C 3py -0.312644 -0.131760 0.370559 0.031105 0.241688 0.060108 3C 1dz2 0.037440 0.040191 0.012021 0.003950 -0.024271 0.007894 3C 1dxz 0.001116 0.037843 0.027400 0.009098 -0.063564 -0.099905 3C 1dyz -0.090339 -0.184755 0.024701 0.023178 0.081645 -0.006848 3C 1dx2y2 0.064957 0.086225 -0.081045 0.004553 -0.031268 -0.062791 3C 1dxy 0.070254 0.054150 -0.044692 0.000216 0.008629 0.017620 3C 2dz2 -0.099783 -0.342080 0.162941 0.139604 0.164768 -0.059277 3C 2dxz 0.171581 0.002520 0.064176 -0.015278 0.268851 0.551631 3C 2dyz 0.364263 0.645889 -0.375572 -0.017828 -0.114373 0.037206 3C 2dx2y2 -0.408474 -0.687388 0.229046 0.118955 0.523734 0.403958 3C 2dxy -0.500515 -0.771201 0.244862 0.006796 0.010420 -0.226672 3C 1f0 -0.028019 -0.093990 0.046962 0.019719 0.082473 0.072723 3C 1f+1 0.000921 -0.026629 0.027614 0.001577 -0.003721 -0.041044 3C 1f-1 -0.027571 0.034902 -0.036953 0.003668 -0.060111 -0.055081 3C 1f+2 -0.032323 -0.085864 -0.048494 0.018523 0.047585 -0.033056 3C 1f-2 -0.012673 -0.036879 -0.037125 0.011148 0.040261 0.033941 3C 1f+3 -0.017588 -0.061758 0.039480 0.010576 0.069620 0.079793 3C 1f-3 0.009899 0.036789 -0.014327 -0.007734 -0.004366 0.025047 4C 1s 0.006979 -0.000632 -0.010756 0.003767 0.000643 -0.001074 4C 2s 0.021308 -0.004014 -0.027391 0.006517 -0.004168 -0.002775 4C 3s -0.238207 0.116470 -0.091933 -0.030774 0.373008 0.058466 4C 4s 0.268729 -0.317267 1.147954 -0.357481 -1.639896 -0.144058 4C 5s -0.326782 0.189498 0.774801 -0.723579 -0.778160 -0.063963 4C 1pz -0.176208 -0.000648 0.025318 -0.153132 0.032705 0.067177 4C 1px 0.009126 0.017958 0.011933 0.024719 0.002008 -0.017419 4C 1py -0.073435 0.003751 0.009124 -0.095048 -0.019054 0.007943 4C 2pz 0.977143 0.195423 0.079284 1.239684 0.066159 -0.502921 4C 2px 0.186651 0.031089 -0.039061 0.078979 0.020241 -0.013373 4C 2py 0.601344 0.170692 0.117352 0.909668 0.260111 -0.115455 4C 3pz -0.510037 0.377036 2.026496 -0.038298 0.473843 0.036485 4C 3px -0.070338 -0.018075 0.355230 -0.319799 -0.013944 0.102957 4C 3py -0.142079 0.242156 1.395784 -0.027275 0.287742 0.142525 4C 1dz2 0.051731 0.044560 -0.020319 0.088184 0.055504 0.023513 4C 1dxz 0.005022 0.010114 -0.001905 0.044645 0.044524 0.006099 4C 1dyz 0.042084 0.029870 -0.049312 0.082484 0.067743 -0.040275 4C 1dx2y2 0.009080 0.015084 -0.029030 -0.017176 0.044076 0.031275 4C 1dxy 0.024422 0.005533 -0.034981 0.016160 -0.004868 -0.016256 4C 2dz2 -0.522952 -0.112513 -0.404035 -0.722494 0.015443 0.349853 4C 2dxz -0.112344 0.077792 -0.271914 -0.097722 0.079955 0.014418 4C 2dyz -0.292474 -0.168838 -0.184625 -0.600043 -0.263880 0.137670 4C 2dx2y2 0.388899 0.101566 0.722989 0.672170 -0.081735 -0.120295 4C 2dxy 0.299513 0.037082 0.338848 0.338384 -0.198913 -0.274288 4C 1f0 -0.027953 0.023934 -0.038668 -0.058439 -0.057121 -0.121479 4C 1f+1 -0.039752 0.037620 -0.056772 -0.047818 0.046467 0.047182 4C 1f-1 -0.048250 -0.015894 -0.010588 -0.079032 0.001303 0.051669 4C 1f+2 -0.054568 -0.002006 0.025178 -0.023916 -0.041145 0.007481 4C 1f-2 -0.035064 -0.012341 -0.004901 -0.051732 -0.016765 -0.003447 4C 1f+3 -0.026257 0.004962 -0.007596 -0.049463 -0.023811 -0.032201 4C 1f-3 0.021895 -0.007390 -0.040256 0.018120 0.054514 0.014023 5C 1s 0.000767 0.002656 0.012036 0.000643 -0.000349 0.001633 5C 2s 0.004768 0.003782 0.031511 0.003575 0.005876 0.005107 5C 3s -0.067294 -0.009829 0.040077 -0.104451 -0.413175 -0.092450 5C 4s -0.214864 -0.418317 -1.072580 0.320958 1.787691 0.166084 5C 5s -0.568812 -0.642074 -0.953190 -0.194651 0.766930 -0.305082 5C 1pz -0.044156 -0.108816 -0.013893 0.006690 0.029026 -0.021641 5C 1px -0.033949 -0.013166 -0.036375 0.011634 -0.010551 0.015935 5C 1py 0.103307 0.142716 0.054671 -0.003516 0.024283 0.043764 5C 2pz 0.307285 0.896629 -0.064978 -0.190903 -0.335146 0.103864 5C 2px 0.484059 0.342304 0.231106 -0.067208 0.098215 -0.106973 5C 2py -0.580435 -1.180660 -0.136371 0.203081 0.180661 -0.224886 5C 3pz 0.709489 0.229158 -1.160427 -0.123055 -0.201326 -0.134431 5C 3px 0.387352 -0.110800 -0.745927 -0.108890 -0.165192 -0.138531 5C 3py -0.897445 -0.052520 1.925794 0.126434 0.398095 0.259036 5C 1dz2 -0.042425 -0.040839 -0.053583 0.040823 0.039482 0.019136 5C 1dxz -0.002016 0.015538 -0.007306 0.007652 0.020739 0.004044 5C 1dyz -0.025775 -0.060378 -0.062193 0.004373 0.046180 0.005800 5C 1dx2y2 -0.016621 -0.078934 -0.007373 0.023248 0.044787 0.004782 5C 1dxy 0.002773 -0.052731 -0.024912 0.024865 0.054509 -0.024786 5C 2dz2 -0.235161 -0.280565 0.340862 -0.010617 -0.233935 -0.081342 5C 2dxz -0.239594 -0.372341 0.393392 0.127180 0.127292 0.031380 5C 2dyz 0.316988 0.516761 0.034877 -0.098388 -0.215324 0.046464 5C 2dx2y2 0.855363 0.928509 -0.453363 0.006065 0.225186 0.192267 5C 2dxy 0.083566 0.218536 -0.194920 -0.133107 -0.262847 -0.009356 5C 1f0 0.036025 0.073855 0.019538 -0.014082 -0.043711 -0.034683 5C 1f+1 0.034979 0.040676 0.033862 0.012193 -0.033180 0.003238 5C 1f-1 -0.066641 -0.080264 0.002269 0.014930 0.051952 0.040619 5C 1f+2 -0.020452 0.025965 -0.001625 -0.015263 -0.000970 0.010074 5C 1f-2 -0.017266 0.000110 -0.030232 -0.008875 0.013357 0.003189 5C 1f+3 -0.050264 -0.067762 0.030911 -0.021495 -0.049669 -0.081189 5C 1f-3 0.023764 0.048646 -0.056508 0.033248 0.019845 -0.043588 6C 1s 0.000679 -0.003018 0.011927 -0.001044 0.000045 -0.001645 6C 2s 0.004441 -0.004754 0.031289 -0.004460 0.006964 -0.003511 6C 3s -0.060852 0.008859 0.039628 0.091684 -0.425506 -0.009125 6C 4s -0.226721 0.449403 -1.044223 -0.239744 1.789217 0.269318 6C 5s -0.553183 0.676443 -0.914858 0.246636 0.674909 0.481039 6C 1pz 0.043701 -0.108803 0.010858 0.005716 -0.025177 -0.026137 6C 1px 0.031153 -0.013212 0.035464 0.010439 0.007743 0.017040 6C 1py -0.101869 0.143996 -0.050016 -0.003942 -0.031708 0.038034 6C 2pz -0.310428 0.889120 0.084304 -0.187584 0.318879 0.174571 6C 2px -0.459853 0.350506 -0.212546 -0.062476 -0.080262 -0.120914 6C 2py 0.582005 -1.182914 0.104451 0.199510 -0.141682 -0.265596 6C 3pz -0.712221 0.200265 1.166117 -0.156581 0.230516 -0.069315 6C 3px -0.390324 -0.132459 0.745272 -0.129590 0.188884 -0.096127 6C 3py 0.914562 -0.007592 -1.927381 0.169956 -0.442593 0.149026 6C 1dz2 -0.042141 0.041713 -0.053054 -0.038105 0.044068 -0.009138 6C 1dxz -0.001588 -0.015733 -0.007449 -0.007397 0.021316 0.000353 6C 1dyz -0.026128 0.062960 -0.059549 -0.000814 0.045842 0.005887 6C 1dx2y2 -0.015708 0.078514 -0.005052 -0.022572 0.045046 0.005766 6C 1dxy 0.002354 0.053478 -0.023843 -0.023225 0.049465 0.036954 6C 2dz2 -0.229827 0.273162 0.348724 -0.007251 -0.244276 0.024818 6C 2dxz -0.241066 0.357849 0.400331 -0.137178 0.136112 -0.001012 6C 2dyz 0.315735 -0.523000 0.016441 0.091052 -0.202529 -0.098933 6C 2dx2y2 0.845550 -0.922970 -0.489495 0.015897 0.259496 -0.140412 6C 2dxy 0.089966 -0.205441 -0.193241 0.132162 -0.264919 -0.050320 6C 1f0 -0.035974 0.074559 -0.017165 -0.013044 0.050848 -0.022876 6C 1f+1 -0.034807 0.040710 -0.032220 0.013321 0.031976 0.011270 6C 1f-1 0.064792 -0.078813 -0.004641 0.014976 -0.061699 0.027621 6C 1f+2 0.020943 0.025160 0.001554 -0.014853 -0.001669 0.010007 6C 1f-2 0.016654 -0.000190 0.029619 -0.010152 -0.013424 -0.000122 6C 1f+3 0.049136 -0.067243 -0.034313 -0.018555 0.064641 -0.066925 6C 1f-3 -0.021846 0.045508 0.058575 0.029663 -0.011572 -0.046358 7C 1s 0.007006 0.000850 -0.010830 -0.003484 0.000592 0.001166 7C 2s 0.021244 0.004511 -0.027458 -0.006013 -0.004098 0.001611 7C 3s -0.236918 -0.108557 -0.092111 0.048615 0.367943 0.032486 7C 4s 0.268518 0.267617 1.156060 0.256724 -1.613444 -0.252046 7C 5s -0.339908 -0.211127 0.789060 0.675577 -0.792317 -0.121217 7C 1pz 0.175937 -0.001267 -0.029193 -0.153856 -0.042310 0.058309 7C 1px -0.010809 0.019226 -0.011529 0.026932 -0.000232 -0.015961 7C 1py 0.074431 0.002636 -0.012396 -0.094580 0.019042 0.011567 7C 2pz -0.985195 0.204505 -0.044583 1.245226 0.020491 -0.512828 7C 2px -0.180402 0.026536 0.050026 0.075603 -0.013287 -0.023477 7C 2py -0.609480 0.181436 -0.081644 0.908507 -0.247550 -0.168242 7C 3pz 0.522803 0.428102 -2.013314 0.010140 -0.458687 -0.084493 7C 3px 0.079111 -0.009018 -0.355619 -0.308741 0.007970 0.103415 7C 3py 0.165553 0.276306 -1.388816 -0.001081 -0.303766 0.071163 7C 1dz2 0.051494 -0.044090 -0.023625 -0.084597 0.060586 -0.011991 7C 1dxz 0.004735 -0.010460 -0.003287 -0.042687 0.046263 0.002317 7C 1dyz 0.044191 -0.028675 -0.051850 -0.080847 0.059044 0.056207 7C 1dx2y2 0.006615 -0.014592 -0.029238 0.020551 0.049731 -0.023170 7C 1dxy 0.024064 -0.004076 -0.034901 -0.015141 -0.007776 0.016103 7C 2dz2 -0.529978 0.124782 -0.386911 0.742042 0.073664 -0.342200 7C 2dxz -0.106251 -0.070063 -0.268862 0.100714 0.090685 -0.001422 7C 2dyz -0.303666 0.174978 -0.163201 0.601568 -0.237876 -0.198408 7C 2dx2y2 0.396062 -0.128047 0.698235 -0.702887 -0.087949 0.096579 7C 2dxy 0.304023 -0.047993 0.330087 -0.362110 -0.236695 0.221462 7C 1f0 0.024522 0.022557 0.037192 -0.054578 0.082584 -0.110091 7C 1f+1 0.037851 0.036304 0.056191 -0.049464 -0.052798 0.033900 7C 1f-1 0.049687 -0.016330 0.008431 -0.080018 -0.009920 0.050190 7C 1f+2 0.050332 -0.001047 -0.026098 -0.019438 0.040189 0.014292 7C 1f-2 0.034486 -0.012962 0.002924 -0.051996 0.019202 -0.000194 7C 1f+3 0.027264 0.004217 0.006073 -0.050481 0.032728 -0.027537 7C 1f-3 -0.020408 -0.008875 0.040677 0.013461 -0.056126 0.002473 8C 1s -0.001490 -0.000761 0.000366 0.001518 -0.002180 0.000309 8C 2s -0.005510 0.000524 0.001428 0.004232 -0.006397 0.001296 8C 3s -0.031823 0.246026 -0.175698 -0.109816 0.306830 0.046341 8C 4s 0.797656 -1.814466 0.438371 0.500973 -1.292262 -0.349209 8C 5s 1.266639 -0.185443 -1.663769 -0.000680 -0.556469 -0.038296 8C 1pz -0.022458 0.047101 0.098845 -0.001979 0.002511 -0.016562 8C 1px 0.045270 -0.088276 0.030587 -0.004642 0.026314 -0.079711 8C 1py 0.002678 0.121905 -0.051660 -0.049978 0.172348 -0.008298 8C 2pz -0.948542 1.708570 0.516368 -0.240824 0.943373 -0.006384 8C 2px -0.235083 0.431620 -0.147567 0.061811 0.445748 -0.521054 8C 2py 0.299821 -0.388796 0.307047 0.244329 -0.066130 -0.490548 8C 3pz -0.133593 -0.064984 0.195677 0.017057 0.069308 -0.001699 8C 3px -0.126714 0.087253 0.108598 -0.002022 -0.006407 0.071065 8C 3py 0.312878 -0.122778 -0.377443 0.037554 -0.248286 -0.002899 8C 1dz2 0.036493 -0.039444 0.010422 -0.004370 -0.023765 -0.011456 8C 1dxz -0.000511 -0.037540 0.026152 -0.010650 -0.081515 0.081851 8C 1dyz -0.089035 0.182827 0.030339 -0.023861 0.081625 0.026078 8C 1dx2y2 0.061964 -0.080682 -0.082846 -0.001193 -0.044377 0.053381 8C 1dxy 0.070573 -0.054236 -0.047022 0.002558 0.009621 -0.015179 8C 2dz2 -0.097441 0.335687 0.169321 -0.142018 0.159711 0.089147 8C 2dxz 0.174111 -0.011429 0.057710 0.017235 0.372020 -0.472926 8C 2dyz 0.355123 -0.629441 -0.394376 0.037720 -0.120358 -0.062201 8C 2dx2y2 -0.393646 0.659821 0.240482 -0.122620 0.603288 -0.267483 8C 2dxy -0.503627 0.775555 0.275646 -0.020810 -0.020207 0.223991 8C 1f0 0.028322 -0.091710 -0.048855 0.020587 -0.097236 0.050627 8C 1f+1 -0.000918 -0.026139 -0.027347 0.002721 0.010753 -0.038958 8C 1f-1 0.026487 0.034071 0.037836 0.003575 0.070182 -0.039470 8C 1f+2 0.032364 -0.086933 0.045908 0.015649 -0.039580 -0.043733 8C 1f-2 0.012360 -0.038743 0.035891 0.009112 -0.046885 0.023233 8C 1f+3 0.018114 -0.060425 -0.040458 0.011333 -0.085507 0.060153 8C 1f-3 -0.008986 0.035219 0.015472 -0.008284 -0.000466 0.025153 9C 1s -0.001245 -0.001896 -0.001043 -0.000975 0.002430 0.000790 9C 2s -0.005137 -0.004362 -0.003970 0.000474 0.006697 0.001446 9C 3s -0.086639 0.124038 0.184102 0.238302 -0.261640 -0.119781 9C 4s 0.939663 -0.576237 -0.331291 -1.788498 1.050102 0.720487 9C 5s -0.303274 -0.357516 1.912780 -0.154312 0.706039 -0.013982 9C 1pz 0.014629 -0.045565 -0.067412 -0.092404 0.174789 -0.042471 9C 1px 0.062399 -0.038871 0.025051 -0.143598 0.020830 0.076198 9C 1py 0.036458 -0.023447 -0.079741 -0.015089 -0.053141 0.130395 9C 2pz -0.461495 0.332999 0.062153 0.642811 0.256601 -0.990633 9C 2px 0.136971 0.116130 0.424232 -0.387152 -0.006559 0.181641 9C 2py -0.770011 0.085447 -0.383127 1.429855 -1.325867 0.587261 9C 3pz 0.086135 0.083747 -0.405526 0.060798 -0.283638 0.075183 9C 3px -0.003474 0.014638 -0.079800 0.134657 -0.071185 -0.073502 9C 3py 0.084112 0.038123 -0.243334 -0.006789 -0.013001 -0.120495 9C 1dz2 -0.003525 -0.023467 -0.041612 0.006805 -0.070573 0.088778 9C 1dxz -0.095290 -0.015345 -0.088603 0.137450 -0.038458 0.001269 9C 1dyz 0.052454 -0.017708 -0.000309 -0.117858 0.073180 0.023382 9C 1dx2y2 -0.022159 -0.010743 0.038134 0.038046 -0.107048 0.089250 9C 1dxy -0.001034 -0.003255 0.023946 -0.034232 0.086516 -0.089061 9C 2dz2 0.040892 -0.033641 0.057967 -0.235093 0.661032 -0.542742 9C 2dxz 0.654534 -0.059377 0.568262 -1.143161 0.289163 0.172155 9C 2dyz 0.018234 -0.016726 -0.154068 0.111819 -0.126573 0.153574 9C 2dx2y2 -0.082740 -0.023915 0.070973 -0.132449 0.543052 -0.551512 9C 2dxy 0.034501 -0.168681 0.039463 -0.095707 -0.460693 0.608253 9C 1f0 0.003533 -0.014413 -0.011913 0.044897 -0.120261 0.111984 9C 1f+1 0.028967 -0.003495 0.031469 -0.083570 0.090368 -0.052928 9C 1f-1 -0.046982 0.023694 0.020314 0.060309 0.012708 -0.083131 9C 1f+2 0.040024 -0.009578 -0.046871 -0.036881 0.045086 -0.020610 9C 1f-2 -0.006983 0.020121 -0.003958 0.073829 -0.090715 0.038826 9C 1f+3 0.004693 -0.010077 -0.047665 0.017580 -0.086792 0.112696 9C 1f-3 0.005895 -0.018136 0.026669 -0.058885 0.021832 0.032433 10H 1s 0.073518 -0.004746 0.042345 0.085121 0.016473 0.021031 10H 2s 0.409949 -0.029979 0.663940 0.649933 -0.251987 -0.744140 10H 3s -0.064624 -0.014822 -0.168940 -0.118459 0.034524 0.165334 10H 1pz -0.052471 -0.037397 0.063282 -0.032637 0.064155 0.109005 10H 1px -0.239362 -0.026325 -0.302257 -0.408027 0.107508 0.371938 10H 1py -0.066251 -0.076523 -0.111222 -0.264607 -0.187884 -0.151456 11H 1s -0.050284 0.031479 -0.028818 0.051499 0.116201 0.089338 11H 2s -0.601760 0.009730 -0.588768 -1.571596 -1.251979 -0.969368 11H 3s 0.051938 -0.008957 -0.012943 0.310413 0.319245 0.258662 11H 1pz -0.134320 0.032144 -0.081788 -0.266624 -0.137963 -0.027805 11H 1px -0.144476 0.016502 -0.081552 -0.341279 -0.394117 -0.401226 11H 1py 0.127521 0.039065 0.253223 0.440803 0.293217 0.197373 12H 1s 0.038846 0.022081 -0.046978 0.019474 -0.063427 -0.137431 12H 2s 0.089971 -0.216995 0.400497 0.373802 1.001059 1.788675 12H 3s -0.005540 0.014237 -0.200332 -0.085182 -0.304982 -0.474401 12H 1pz 0.016726 -0.017464 -0.009247 -0.086097 -0.283878 -0.424076 12H 1px 0.021732 0.015822 0.223119 0.248464 0.242633 0.307778 12H 1py 0.035359 -0.090393 0.077075 0.044185 0.241159 0.504716 13H 1s 0.080051 0.085886 -0.022129 -0.014387 -0.016824 -0.001764 13H 2s 0.522305 0.680787 -0.552422 -0.081484 0.096702 0.598062 13H 3s -0.125824 -0.117963 0.115794 -0.008381 -0.042896 -0.125962 13H 1pz 0.075906 -0.011691 -0.052221 0.032063 0.141123 0.203540 13H 1px -0.256466 -0.465105 0.262628 0.064356 0.022193 -0.207231 13H 1py 0.029180 0.064866 0.043123 0.025746 0.102925 0.090861 14H 1s 0.041262 0.026722 0.057400 0.009540 0.058979 0.073917 14H 2s 0.277580 0.616198 -0.500008 0.042064 -0.618253 -1.101795 14H 3s -0.086692 -0.117723 0.190011 -0.005542 0.207126 0.248522 14H 1pz 0.038417 -0.071127 0.051620 0.079754 0.008927 -0.173106 14H 1px 0.114201 0.322233 -0.257968 -0.016998 -0.234705 -0.335597 14H 1py 0.015404 0.077792 0.006244 -0.066571 -0.197061 -0.221562 15H 1s -0.079309 0.025564 0.024402 -0.023223 -0.105141 -0.051654 15H 2s -0.714169 -1.749244 0.535354 0.170433 1.044553 0.483776 15H 3s 0.012488 0.342943 -0.017733 -0.063065 -0.263184 -0.129999 15H 1pz 0.233594 0.576022 -0.241527 -0.095464 -0.358133 -0.161333 15H 1px -0.046655 -0.028005 -0.080186 0.002647 0.131600 0.154019 15H 1py 0.156153 0.384898 -0.086607 -0.004796 -0.199023 -0.055901 16H 1s 0.176464 -0.000822 0.082984 -0.065439 -0.052765 0.003153 16H 2s -0.560859 0.058021 -0.352338 0.210522 0.058395 -0.107937 16H 3s 0.111006 -0.044021 0.124375 -0.103033 -0.101897 -0.023734 16H 1pz -0.208501 0.017331 -0.148534 0.038307 -0.013294 -0.064518 16H 1px -0.186111 0.006308 -0.007730 0.050382 -0.010754 -0.050265 16H 1py 0.187103 0.031321 -0.022570 -0.049663 -0.010513 0.031420 17H 1s 0.107202 0.004661 -0.034448 -0.064360 0.026570 0.083279 17H 2s -0.388175 0.033367 0.194449 0.111438 -0.063215 0.063039 17H 3s -0.004559 -0.004673 -0.108284 -0.080165 0.070559 0.112362 17H 1pz 0.269016 -0.016703 0.001604 -0.039833 -0.005954 -0.041336 17H 1px -0.040423 -0.020902 -0.100707 0.032947 0.021475 -0.098849 17H 1py 0.160075 0.050745 0.118684 -0.063091 -0.027404 0.134090 18H 1s 0.108734 -0.003134 -0.026856 0.066876 0.037965 -0.076959 18H 2s -0.394963 -0.035648 0.165513 -0.118559 -0.047552 -0.079476 18H 3s -0.003815 0.010107 -0.104275 0.087333 0.085423 -0.095581 18H 1pz -0.267271 -0.013164 -0.014039 -0.036229 0.014798 -0.044860 18H 1px 0.041775 -0.023755 0.099195 0.028543 -0.006003 -0.104219 18H 1py -0.167716 0.054617 -0.123228 -0.059675 0.007081 0.138116 19H 1s 0.179915 -0.001746 0.091117 0.060904 -0.053438 -0.014075 19H 2s -0.563705 -0.037290 -0.379932 -0.189256 0.049960 0.130243 19H 3s 0.113631 0.041777 0.129875 0.096145 -0.105145 0.001848 19H 1pz 0.212210 0.005668 0.158380 0.029772 0.019229 -0.069169 19H 1px 0.186895 0.003203 0.015250 0.049310 0.016962 -0.046770 19H 1py -0.185256 0.029852 0.016435 -0.050170 0.006648 0.027735 20H 1s -0.076459 -0.027133 0.024234 0.019976 -0.114476 0.026176 20H 2s -0.699476 1.715207 0.582225 -0.184848 1.153058 -0.224731 20H 3s 0.011250 -0.335908 -0.026776 0.066193 -0.294724 0.060850 20H 1pz -0.227813 0.562753 0.255931 -0.101979 0.394163 -0.073190 20H 1px 0.044407 -0.032519 0.077713 -0.000806 -0.162596 0.118475 20H 1py -0.153388 0.377416 0.097997 -0.007424 0.211622 -0.006664 21H 1s 0.037435 -0.028340 0.056265 -0.010778 0.073053 -0.057697 21H 2s 0.264206 -0.580178 -0.508540 -0.025947 -0.829950 0.918344 21H 3s -0.086185 0.110543 0.192303 0.001762 0.251147 -0.191869 21H 1pz -0.036256 -0.069087 -0.050708 0.079792 0.024314 -0.169777 21H 1px -0.108962 0.307428 0.263527 -0.025451 0.299345 -0.267826 21H 1py -0.011693 0.073992 -0.006712 -0.063354 0.239767 -0.169896 22H 1s 0.080700 -0.085415 -0.025350 0.014615 -0.015762 -0.003330 22H 2s 0.519724 -0.666174 -0.575250 0.111603 0.181987 -0.551086 22H 3s -0.124370 0.116496 0.119183 0.003076 -0.060596 0.111941 22H 1pz -0.075499 -0.013626 0.052817 0.026800 -0.174372 0.162446 22H 1px 0.255751 -0.458903 -0.276716 0.076045 0.009637 -0.206001 22H 1py -0.030922 0.068325 -0.040336 0.026467 -0.121824 0.064508 23H 1s 0.036371 -0.020139 -0.048043 -0.018756 -0.089982 0.123658 23H 2s 0.066617 0.205694 0.369571 -0.320093 1.363036 -1.580534 23H 3s -0.005659 -0.006857 -0.194002 0.079741 -0.398914 0.410377 23H 1pz -0.022153 -0.019859 -0.001105 -0.070978 0.369851 -0.364508 23H 1px -0.022735 0.025027 -0.211112 0.240392 -0.303823 0.253912 23H 1py -0.026698 -0.089170 -0.073674 0.032045 -0.345254 0.455649 24H 1s -0.046480 -0.030570 -0.031291 -0.048778 0.134756 -0.065403 24H 2s -0.578483 0.012529 -0.520042 1.518559 -1.483224 0.735335 24H 3s 0.043829 0.008267 -0.027190 -0.291484 0.379784 -0.198785 24H 1pz 0.130897 0.030198 0.074201 -0.258381 0.145909 -0.001799 24H 1px 0.135659 0.011577 0.064954 -0.327770 0.486653 -0.324913 24H 1py -0.124073 0.049882 -0.233728 0.428105 -0.339206 0.141909 25H 1s 0.076063 0.003120 0.041059 -0.086917 0.019750 -0.015309 25H 2s 0.393548 0.003214 0.641403 -0.674381 -0.362003 0.652121 25H 3s -0.060599 0.021325 -0.163848 0.123759 0.056646 -0.150246 25H 1pz 0.059989 -0.033701 -0.060837 -0.035672 -0.087433 0.097608 25H 1px 0.239571 -0.037173 0.290076 -0.420106 -0.166806 0.335696 25H 1py 0.073190 -0.082736 0.102777 -0.266016 0.221778 -0.110581 26O 1s 0.005545 -0.003050 0.000490 -0.000150 -0.001464 -0.001131 26O 2s 0.015551 -0.009650 0.000858 0.000058 -0.003146 -0.003108 26O 3s -0.031218 0.049186 0.028665 0.036794 -0.017177 -0.007445 26O 4s -0.368460 -0.028499 -0.098179 -0.457782 0.116235 0.231664 26O 5s -0.204148 -0.279539 -2.325045 -0.425598 0.631394 0.102570 26O 1pz 0.051489 -0.033841 0.089288 -0.008426 -0.098755 -0.105944 26O 1px -0.021554 0.018858 -0.016792 -0.061177 -0.054640 -0.068689 26O 1py 0.000875 0.005979 0.037537 0.037444 0.074019 0.142648 26O 2pz -0.015335 0.043242 -0.048644 0.138233 0.146432 0.098865 26O 2px 0.263562 -0.022342 0.274098 0.385062 -0.046776 -0.048725 26O 2py 0.113151 0.001144 0.091418 0.147584 -0.137966 -0.224035 26O 3pz 0.091462 -0.035109 -0.337236 -0.174196 -0.122519 -0.158147 26O 3px 0.100414 0.201252 0.328240 -0.086006 -0.208173 -0.128158 26O 3py -0.033159 -0.051693 -0.088076 -0.122500 0.090947 0.030213 26O 1dz2 -0.000525 -0.000992 -0.000074 -0.008746 -0.002264 0.003997 26O 1dxz 0.001444 0.000245 -0.001719 -0.004215 -0.003317 -0.000314 26O 1dyz -0.001769 -0.001781 -0.004754 -0.014879 0.000193 0.002930 26O 1dx2y2 0.002237 0.000657 -0.001060 0.005390 0.001736 -0.001247 26O 1dxy 0.003185 -0.001306 -0.004354 -0.001588 0.001074 0.000910 26O 2dz2 0.033507 0.021724 -0.073498 0.004094 0.014287 -0.008435 26O 2dxz -0.072064 0.015572 -0.232166 -0.077975 0.068590 0.084071 26O 2dyz -0.048726 0.001548 -0.273906 -0.046923 0.122233 -0.006495 26O 2dx2y2 0.015240 -0.001003 0.076146 0.057942 0.047897 0.084516 26O 2dxy 0.016943 -0.034810 -0.195650 -0.031483 0.025209 -0.050763 26O 1f0 -0.002852 -0.002660 0.001375 -0.004016 -0.000841 0.002106 26O 1f+1 0.001923 0.000669 -0.004154 0.006195 0.010018 -0.001329 26O 1f-1 -0.008014 0.000512 0.002802 0.003601 0.003777 0.001967 26O 1f+2 0.003220 -0.002098 -0.002055 -0.002221 0.000037 -0.002478 26O 1f-2 0.002597 0.002408 0.001381 0.012300 0.003602 -0.002842 26O 1f+3 -0.002705 -0.000516 -0.002125 0.001522 -0.000302 0.001689 26O 1f-3 -0.008290 0.004742 -0.006607 -0.007962 0.008035 0.002524 27O 1s 0.005335 -0.000173 0.001566 0.001714 -0.000091 0.001924 27O 2s 0.014500 -0.000257 0.005046 0.004942 -0.002485 0.006467 27O 3s -0.022120 0.037502 -0.041452 -0.012698 0.065909 -0.024761 27O 4s -0.328634 -0.427704 -0.031422 -0.082228 -0.278277 -0.110450 27O 5s -1.109195 -0.478086 2.027143 0.172056 -0.697357 0.155972 27O 1pz 0.078033 0.050024 -0.039030 -0.041871 -0.055411 -0.068198 27O 1px -0.008411 -0.036106 0.001618 -0.010669 0.022248 -0.023294 27O 1py -0.061651 0.009955 0.073905 -0.010664 -0.089729 -0.076920 27O 2pz -0.079062 -0.018977 0.034903 0.026458 0.043481 0.065918 27O 2px 0.318507 0.370674 -0.162381 0.046227 0.192932 0.112383 27O 2py -0.028568 -0.178737 -0.027739 0.019053 0.092234 0.058419 27O 3pz -0.221410 -0.094577 0.203542 0.074800 -0.171184 -0.031128 27O 3px 0.002148 -0.148904 -0.194107 -0.044883 0.280399 -0.139274 27O 3py 0.105903 0.159288 -0.283729 0.092588 -0.046258 -0.095478 27O 1dz2 -0.003397 0.000775 -0.004199 0.001475 -0.000366 0.002606 27O 1dxz 0.000839 -0.004828 0.001374 0.001794 0.000124 -0.001806 27O 1dyz 0.000314 0.011315 -0.003302 -0.000585 0.001731 0.002214 27O 1dx2y2 0.003006 0.008985 0.002560 -0.001027 -0.000653 0.003076 27O 1dxy -0.001600 0.007508 -0.004139 -0.000121 -0.000272 0.000826 27O 2dz2 -0.041441 -0.019514 -0.122250 0.013727 0.053494 0.002584 27O 2dxz -0.099871 -0.077537 0.172267 0.057878 0.033185 0.031084 27O 2dyz 0.051868 0.018908 -0.172841 0.002899 0.075415 -0.023054 27O 2dx2y2 0.049622 0.037238 -0.070104 0.012883 -0.009609 0.031790 27O 2dxy 0.181180 0.108797 -0.274834 -0.010285 0.103039 0.044129 27O 1f0 0.002919 -0.003128 0.004624 -0.001414 0.000564 0.003303 27O 1f+1 -0.009791 -0.008712 0.002308 -0.005159 -0.007680 -0.002427 27O 1f-1 0.003426 0.004873 0.000461 0.001646 0.000629 0.003016 27O 1f+2 0.003751 -0.001456 0.005827 -0.000763 -0.000891 0.000140 27O 1f-2 -0.000106 -0.009241 0.001734 0.002745 0.001376 0.001653 27O 1f+3 -0.003887 0.007223 0.002503 -0.002238 -0.012286 0.001462 27O 1f-3 0.001030 0.004873 0.000557 -0.003291 0.001817 0.005341 28O 1s 0.001637 -0.002748 0.000438 -0.002048 0.000099 0.001053 28O 2s 0.006192 -0.008197 0.000484 -0.004268 0.001269 0.002474 28O 3s -0.039600 0.030762 0.023550 0.012330 -0.032234 -0.000058 28O 4s 0.045059 0.064863 0.021405 0.022950 0.079105 -0.130808 28O 5s -0.644164 -0.229648 -2.350137 -1.076608 0.557855 0.692129 28O 1pz -0.034300 0.020482 0.097696 -0.012720 -0.001035 0.054779 28O 1px 0.044014 0.005790 0.077261 0.093774 0.003947 -0.005133 28O 1py 0.053393 0.004571 0.048077 0.026672 -0.121522 -0.126024 28O 2pz 0.226595 -0.034183 0.080398 0.271590 -0.099591 -0.139657 28O 2px -0.118484 0.032395 -0.229849 -0.185066 0.086424 0.016395 28O 2py 0.030102 0.007763 0.017473 0.096451 0.138931 0.099141 28O 3pz -0.310588 0.195374 -0.094877 -0.302363 0.113409 0.275433 28O 3px 0.090966 -0.011704 -0.317402 0.132059 0.192788 0.083694 28O 3py -0.156966 -0.035969 -0.233277 -0.179942 -0.106247 -0.037406 28O 1dz2 -0.006321 0.000325 -0.001562 -0.011093 0.001724 0.002527 28O 1dxz -0.005464 -0.000711 0.002389 -0.004813 0.000826 0.000616 28O 1dyz -0.005981 -0.001885 -0.001178 -0.012156 0.000621 0.004429 28O 1dx2y2 0.005951 0.002233 -0.001906 0.005787 0.001077 -0.003537 28O 1dxy -0.001327 0.001307 0.000083 -0.001130 0.000847 0.001319 28O 2dz2 -0.110200 -0.012967 -0.306422 -0.226472 0.056493 0.046347 28O 2dxz -0.048722 0.014626 0.087919 -0.027524 -0.001432 0.027659 28O 2dyz -0.138498 -0.009353 -0.291073 -0.179439 0.138537 0.158039 28O 2dx2y2 0.146310 0.036158 0.115012 0.173522 0.020834 -0.050765 28O 2dxy 0.029629 0.038723 0.083889 0.061535 -0.031796 -0.067380 28O 1f0 0.003657 -0.000147 -0.003704 0.005323 0.002110 0.002080 28O 1f+1 -0.005195 -0.001858 -0.002317 -0.008356 0.002107 -0.000759 28O 1f-1 0.006550 0.000476 0.008822 0.016623 -0.002922 -0.008020 28O 1f+2 0.001137 -0.003017 0.002416 -0.001700 -0.006717 0.001494 28O 1f-2 -0.002971 -0.000965 0.001948 -0.005267 -0.003518 0.002816 28O 1f+3 0.006580 -0.003784 0.004807 0.003939 -0.006445 -0.002557 28O 1f-3 0.001470 0.003201 -0.001310 0.001617 0.001952 0.001101 29O 1s 0.011803 0.001900 0.002568 -0.006194 -0.002185 0.005812 29O 2s 0.039373 0.005583 0.008550 -0.020137 -0.006878 0.018226 29O 3s -0.265577 -0.016912 -0.055661 0.117774 0.033674 -0.087758 29O 4s 0.384927 -0.011603 0.074950 -0.123509 -0.025546 0.059380 29O 5s 0.283246 -0.062197 0.051063 -0.066926 0.038495 -0.100778 29O 1pz 0.067760 -0.022114 0.089931 -0.031443 -0.093037 -0.095678 29O 1px -0.068268 0.033292 0.021510 0.066398 -0.033408 -0.094078 29O 1py -0.008284 0.038333 -0.011902 -0.014058 -0.004232 0.046947 29O 2pz -0.177587 0.025537 -0.320056 0.068816 0.145148 0.030093 29O 2px 0.170290 -0.081860 -0.086009 -0.097202 0.064631 0.063788 29O 2py -0.079010 -0.011856 0.018525 0.015776 -0.011380 -0.013392 29O 3pz -0.026422 0.019686 0.029893 0.072872 -0.119237 -0.158470 29O 3px 0.012248 0.096758 0.023266 0.116235 -0.043026 -0.077945 29O 3py -0.367058 -0.060869 -0.072817 0.137768 0.028173 -0.043254 29O 1dz2 -0.001806 0.001658 -0.004364 0.000677 -0.000136 -0.001783 29O 1dxz -0.001559 0.000499 0.002210 -0.002559 -0.000063 0.003484 29O 1dyz -0.001415 -0.001451 -0.008117 0.001262 0.002455 -0.002324 29O 1dx2y2 0.003436 -0.001757 0.000245 -0.001039 0.000863 -0.000250 29O 1dxy 0.000688 0.000088 -0.003712 -0.000940 0.001297 -0.001605 29O 2dz2 -0.298878 -0.007591 -0.050091 0.092924 0.032731 -0.046484 29O 2dxz -0.204791 -0.009039 -0.058847 0.053604 0.001115 -0.105493 29O 2dyz 0.118777 -0.010481 0.038690 -0.035049 0.035713 0.095665 29O 2dx2y2 -0.036325 -0.055925 -0.025317 -0.011665 0.009956 -0.032917 29O 2dxy -0.152492 0.024413 -0.028499 -0.009356 0.006473 0.036393 29O 1f0 -0.013153 0.000884 -0.001807 0.002892 -0.000574 0.000484 29O 1f+1 0.004580 0.000749 -0.000958 0.000190 -0.000023 -0.001751 29O 1f-1 -0.018278 0.001971 -0.008912 0.004794 0.000920 -0.002032 29O 1f+2 0.000455 -0.000712 0.004008 -0.000754 -0.000637 0.000426 29O 1f-2 -0.009284 0.001925 0.006062 0.004269 -0.001405 0.002332 29O 1f+3 -0.008571 -0.000116 -0.004187 0.003901 0.000837 -0.003634 29O 1f-3 -0.001878 -0.001608 -0.003504 0.000366 0.000272 -0.002327 30O 1s 0.002480 -0.002013 -0.000220 0.002817 0.001053 0.000788 30O 2s 0.008697 -0.004776 0.000898 0.009251 0.003200 0.003150 30O 3s -0.054205 0.025712 -0.042710 -0.053277 -0.011454 -0.020506 30O 4s 0.084961 -0.060092 0.071033 0.069743 0.106676 0.055231 30O 5s -0.780955 -1.047603 2.146704 0.177917 -0.661083 -0.353333 30O 1pz 0.073476 0.010664 0.000446 0.033892 0.105530 0.051310 30O 1px 0.109541 0.089566 -0.046417 0.035965 0.070322 0.056866 30O 1py 0.000165 0.013994 0.097151 0.016541 -0.013711 0.045967 30O 2pz 0.021178 0.174459 -0.136834 -0.044078 -0.102273 0.003746 30O 2px -0.136408 -0.159880 0.187149 -0.035603 -0.111791 -0.088222 30O 2py -0.164076 -0.265359 0.024043 -0.016835 -0.020809 -0.101754 30O 3pz -0.239726 -0.248110 0.014943 0.086668 0.089291 -0.146630 30O 3px 0.111073 0.002712 0.443282 0.150932 0.034639 -0.009008 30O 3py 0.400091 0.267207 -0.053241 0.119038 0.129903 0.212335 30O 1dz2 0.000900 0.001807 -0.000561 0.001589 0.002695 -0.001505 30O 1dxz -0.005631 -0.005572 -0.003413 -0.000528 0.001589 -0.002675 30O 1dyz 0.004074 0.009806 -0.000479 -0.001602 0.000485 0.004648 30O 1dx2y2 0.007517 0.010478 0.002507 0.000678 -0.000719 0.000011 30O 1dxy 0.003451 0.006625 0.002530 -0.000963 0.000243 0.000551 30O 2dz2 -0.052316 -0.048597 0.004780 0.006301 -0.017957 -0.049127 30O 2dxz -0.141100 -0.090936 -0.026807 -0.006924 0.019347 -0.019026 30O 2dyz 0.183530 0.177574 -0.278383 -0.000193 0.158799 0.084893 30O 2dx2y2 0.267758 0.247706 -0.226135 0.030535 0.095136 0.029094 30O 2dxy 0.077056 0.026220 0.035095 0.020912 0.070999 0.068055 30O 1f0 -0.008955 -0.013974 0.007380 -0.001192 -0.006749 -0.004059 30O 1f+1 0.000915 0.000493 0.001855 -0.003815 -0.003884 -0.002301 30O 1f-1 0.000920 -0.005957 0.001764 0.000319 0.002606 -0.006842 30O 1f+2 -0.002187 -0.010610 0.001348 0.002228 0.002725 -0.002019 30O 1f-2 -0.001208 0.003882 -0.001922 0.001314 0.001168 0.001244 30O 1f+3 0.000603 -0.000595 -0.003852 0.000401 0.000260 0.004233 30O 1f-3 -0.004717 -0.005841 -0.006080 -0.001031 0.006301 0.002617 31O 1s 0.002380 0.002006 -0.000320 -0.002814 0.001311 -0.000525 31O 2s 0.008366 0.004656 0.000499 -0.009320 0.004188 -0.002347 31O 3s -0.052393 -0.022907 -0.039783 0.055486 -0.018186 0.017869 31O 4s 0.084414 0.049450 0.065809 -0.072643 0.120288 -0.032573 31O 5s -0.803000 0.993946 2.159559 -0.262350 -0.699153 0.195659 31O 1pz -0.072044 0.010082 0.001118 0.030746 -0.116185 0.027104 31O 1px -0.107264 0.089740 0.050935 0.032776 -0.081926 0.039298 31O 1py -0.000672 0.015767 -0.096093 0.018987 0.003053 0.049391 31O 2pz -0.022736 0.170424 0.139814 -0.046784 0.103872 0.024494 31O 2px 0.134737 -0.153856 -0.191859 -0.026221 0.127327 -0.058552 31O 2py 0.164470 -0.262942 -0.032617 -0.013409 0.040613 -0.095501 31O 3pz 0.227239 -0.248981 -0.029389 0.091522 -0.061711 -0.165392 31O 3px -0.095826 0.020137 -0.428540 0.165165 -0.042928 -0.014718 31O 3py -0.394534 0.268350 0.074789 0.110743 -0.170844 0.180859 31O 1dz2 0.000934 -0.001787 -0.000677 -0.001470 0.002346 0.001978 31O 1dxz -0.005607 0.005678 -0.003157 0.000637 0.000978 0.002937 31O 1dyz 0.003945 -0.009863 -0.000783 0.001637 0.001389 -0.004410 31O 1dx2y2 0.007515 -0.010678 0.002084 -0.000803 -0.000716 -0.000176 31O 1dxy 0.003454 -0.006747 0.002303 0.000861 0.000296 -0.000463 31O 2dz2 -0.051168 0.048771 0.005667 -0.006735 -0.028251 0.043577 31O 2dxz -0.137563 0.093042 -0.021212 0.007137 0.014694 0.023640 31O 2dyz 0.181290 -0.171270 -0.284451 0.013740 0.172347 -0.046801 31O 2dx2y2 0.265869 -0.245210 -0.237179 -0.021713 0.100637 -0.008014 31O 2dxy 0.075122 -0.029192 0.032283 -0.020262 0.083554 -0.050282 31O 1f0 0.008837 -0.013776 -0.007880 -0.000632 0.007247 -0.002403 31O 1f+1 -0.001017 0.000517 -0.001980 -0.003551 0.004403 -0.001412 31O 1f-1 -0.000928 -0.005943 -0.001992 0.000349 -0.001125 -0.007189 31O 1f+2 0.002126 -0.010636 -0.001708 0.002219 -0.002304 -0.002644 31O 1f-2 0.001205 0.003736 0.001999 0.001162 -0.001463 0.000865 31O 1f+3 -0.000766 -0.000612 0.003854 0.000263 -0.001028 0.004015 31O 1f-3 0.004666 -0.006008 0.005748 -0.001342 -0.006647 0.000972 32O 1s 0.012019 -0.001813 0.003115 0.006191 -0.001365 -0.006106 32O 2s 0.040075 -0.005374 0.010481 0.020086 -0.004372 -0.019192 32O 3s -0.269588 0.017659 -0.070679 -0.116377 0.023240 0.093517 32O 4s 0.390438 0.006595 0.102781 0.120098 -0.023155 -0.067190 32O 5s 0.277303 0.049994 0.059001 0.055902 0.018883 0.104808 32O 1pz -0.071421 -0.021439 -0.092529 -0.026069 0.107241 -0.079986 32O 1px 0.069769 0.035249 -0.017461 0.068700 0.045314 -0.085591 32O 1py 0.005584 0.035754 0.013317 -0.016184 -0.002811 0.044002 32O 2pz 0.177691 0.014191 0.323853 0.050626 -0.150747 -0.003008 32O 2px -0.173898 -0.084415 0.073258 -0.101933 -0.069247 0.048201 32O 2py 0.084074 -0.012312 -0.008150 0.017527 0.010760 -0.011201 32O 3pz 0.014060 0.016851 -0.025859 0.074149 0.139822 -0.136840 32O 3px -0.016574 0.100114 -0.025892 0.117453 0.052163 -0.067603 32O 3py 0.367647 -0.068416 0.090517 0.131495 -0.022706 -0.053175 32O 1dz2 -0.001667 -0.001427 -0.004288 -0.000394 -0.000382 0.001777 32O 1dxz -0.001569 -0.000539 0.002315 0.002500 0.000459 -0.003607 32O 1dyz -0.001386 0.001717 -0.008127 -0.000803 0.002100 0.003037 32O 1dx2y2 0.003462 0.001696 0.000359 0.001035 0.000759 0.000272 32O 1dxy 0.000685 -0.000029 -0.003563 0.001148 0.001014 0.001832 32O 2dz2 -0.308931 0.010461 -0.067596 -0.092116 0.025355 0.054530 32O 2dxz -0.200877 0.012929 -0.065400 -0.050238 -0.014990 0.106620 32O 2dyz 0.102935 0.008605 0.041107 0.029387 0.049350 -0.086697 32O 2dx2y2 -0.036598 0.057483 -0.029556 0.011655 0.003580 0.037214 32O 2dxy -0.159879 -0.019677 -0.038797 0.010269 0.012685 -0.031791 32O 1f0 0.012212 0.000536 0.002050 0.002446 0.000336 0.000546 32O 1f+1 -0.005294 0.000658 0.000792 -0.000003 0.000308 -0.001850 32O 1f-1 0.019001 0.001351 0.009878 0.004306 -0.000894 -0.002561 32O 1f+2 -0.001161 -0.000604 -0.004354 -0.000774 0.000641 0.000734 32O 1f-2 0.008829 0.002018 -0.005450 0.004356 0.000944 0.002857 32O 1f+3 0.008859 -0.000191 0.003994 0.003811 -0.000240 -0.003654 32O 1f-3 0.002124 -0.001773 0.003511 0.000282 0.000069 -0.002498 33O 1s 0.001670 0.002737 0.000618 0.002012 0.000317 -0.001018 33O 2s 0.006345 0.008196 0.000987 0.004167 0.001847 -0.002162 33O 3s -0.040814 -0.031846 0.021378 -0.012614 -0.033085 -0.007183 33O 4s 0.048504 -0.063408 0.020731 -0.028615 0.059814 0.145435 33O 5s -0.652016 0.305991 -2.312981 1.184235 0.651276 -0.548020 33O 1pz 0.033668 0.024276 -0.097497 -0.007403 -0.011909 0.055082 33O 1px -0.046986 0.009019 -0.075563 0.098911 -0.007339 -0.004515 33O 1py -0.054119 0.003977 -0.049492 0.030195 0.144866 -0.096880 33O 2pz -0.226303 -0.030752 -0.073272 0.274790 0.122608 -0.115211 33O 2px 0.121558 0.023100 0.226139 -0.197525 -0.081790 -0.005754 33O 2py -0.030333 0.011364 -0.012064 0.096051 -0.159188 0.067375 33O 3pz 0.302380 0.194299 0.084708 -0.307847 -0.155733 0.246928 33O 3px -0.094974 -0.022477 0.321948 0.117411 -0.211432 0.039809 33O 3py 0.148215 -0.045722 0.220877 -0.183492 0.120028 -0.018206 33O 1dz2 -0.006436 -0.000361 -0.001276 0.011190 0.001914 -0.002087 33O 1dxz -0.005425 0.000684 0.002544 0.004802 0.000803 -0.000387 33O 1dyz -0.006102 0.001977 -0.000759 0.012367 0.001228 -0.004249 33O 1dx2y2 0.005974 -0.002253 -0.002174 -0.005777 0.000458 0.003679 33O 1dxy -0.001295 -0.001312 0.000059 0.001105 0.001082 -0.001046 33O 2dz2 -0.114766 0.022536 -0.299526 0.241079 0.057233 -0.031733 33O 2dxz -0.048651 -0.017353 0.088718 0.025843 0.002240 -0.027719 33O 2dyz -0.140250 0.018088 -0.286778 0.195880 0.161878 -0.123908 33O 2dx2y2 0.148035 -0.040396 0.110119 -0.178543 0.014181 0.053681 33O 2dxy 0.033226 -0.040567 0.082053 -0.066153 -0.045033 0.061070 33O 1f0 -0.003531 -0.000321 0.003830 0.004952 -0.002551 0.001450 33O 1f+1 0.005282 -0.001981 0.002077 -0.008506 -0.001707 -0.001227 33O 1f-1 -0.006775 0.000798 -0.008371 0.017122 0.004043 -0.007114 33O 1f+2 -0.001215 -0.002820 -0.002540 -0.001358 0.006206 0.003018 33O 1f-2 0.003160 -0.000937 -0.002111 -0.005214 0.002839 0.003598 33O 1f+3 -0.006364 -0.003646 -0.004887 0.004193 0.006695 -0.000936 33O 1f-3 -0.001485 0.003200 0.001495 0.001524 -0.002175 0.000610 34O 1s 0.005171 0.000053 0.001465 -0.001776 0.000377 -0.001853 34O 2s 0.014012 -0.000104 0.004735 -0.005222 -0.000882 -0.006717 34O 3s -0.020933 -0.035643 -0.041781 0.016510 0.058471 0.038103 34O 4s -0.318840 0.431798 -0.010258 0.072680 -0.296013 0.047406 34O 5s -1.100547 0.426251 2.031065 -0.253512 -0.651735 -0.313320 34O 1pz -0.078360 0.048694 0.040264 -0.043687 0.070182 -0.052239 34O 1px 0.007296 -0.035791 -0.003412 -0.011664 -0.015734 -0.027827 34O 1py 0.062628 0.010923 -0.074001 -0.007854 0.103389 -0.053675 34O 2pz 0.080060 -0.018429 -0.035890 0.029182 -0.057474 0.053139 34O 2px -0.308275 0.368163 0.178205 0.035457 -0.214473 0.067067 34O 2py 0.024591 -0.177795 0.022006 0.018423 -0.102367 0.034052 34O 3pz 0.214660 -0.088855 -0.201164 0.084406 0.172295 0.005993 34O 3px 0.001648 -0.149947 0.190904 -0.056110 -0.247361 -0.203716 34O 3py -0.106378 0.150434 0.288580 0.080794 0.061116 -0.077112 34O 1dz2 -0.003350 -0.000665 -0.004247 -0.001318 0.000250 -0.002564 34O 1dxz 0.000857 0.004792 0.001480 -0.001760 -0.000194 0.001794 34O 1dyz 0.000173 -0.011220 -0.003715 0.000721 0.002102 -0.001718 34O 1dx2y2 0.002978 -0.009067 0.002245 0.000913 -0.000005 -0.003274 34O 1dxy -0.001630 -0.007352 -0.004376 0.000260 -0.000068 -0.000907 34O 2dz2 -0.040183 0.022067 -0.120968 -0.008279 0.053488 0.011016 34O 2dxz -0.100708 0.073316 0.173456 -0.062341 0.040897 -0.021800 34O 2dyz 0.050677 -0.013707 -0.172929 0.004886 0.069048 0.040083 34O 2dx2y2 0.051104 -0.034662 -0.071568 -0.011558 -0.001967 -0.033552 34O 2dxy 0.180754 -0.101531 -0.277377 0.021209 0.109103 -0.018437 34O 1f0 -0.002957 -0.002899 -0.004686 -0.001253 -0.001194 0.003058 34O 1f+1 0.009421 -0.008603 -0.002844 -0.004723 0.008161 -0.000699 34O 1f-1 -0.003429 0.004926 -0.000275 0.001554 -0.001242 0.002839 34O 1f+2 -0.003978 -0.001146 -0.005944 -0.000553 0.001006 0.000406 34O 1f-2 -0.000002 -0.009164 -0.001926 0.002705 -0.001698 0.001190 34O 1f+3 0.003780 0.007190 -0.002330 -0.001944 0.011829 0.004348 34O 1f-3 -0.000950 0.004921 -0.000470 -0.003349 -0.002724 0.004700 35O 1s 0.005536 0.003004 0.000663 -0.000017 -0.001530 0.000764 35O 2s 0.015621 0.009526 0.001426 -0.000512 -0.003300 0.002303 35O 3s -0.032437 -0.049707 0.024127 -0.036894 -0.019059 0.003280 35O 4s -0.366225 0.033114 -0.082332 0.467447 0.146703 -0.199335 35O 5s -0.211515 0.348886 -2.293577 0.523977 0.636691 0.044358 35O 1pz -0.050487 -0.032099 -0.090245 -0.001171 0.119870 -0.085702 35O 1px 0.023346 0.017609 0.015253 -0.059895 0.068611 -0.055909 35O 1py -0.000261 0.008450 -0.034987 0.036575 -0.104079 0.128499 35O 2pz 0.014058 0.043319 0.054469 0.129454 -0.167138 0.068461 35O 2px -0.267854 -0.011789 -0.263141 0.397957 0.045068 -0.034785 35O 2py -0.115499 0.002924 -0.088691 0.155488 0.179178 -0.195813 35O 3pz -0.085596 -0.046748 0.331585 -0.179943 0.154130 -0.128945 35O 3px -0.094398 0.211274 -0.318013 -0.063285 0.229303 -0.076076 35O 3py 0.035051 -0.050637 0.088300 -0.120284 -0.097117 0.016632 35O 1dz2 -0.000739 0.001040 0.000161 0.008737 -0.001581 -0.004443 35O 1dxz 0.001256 -0.000181 -0.001665 0.004163 -0.003302 -0.000419 35O 1dyz -0.002109 0.001948 -0.004458 0.015081 0.000439 -0.002814 35O 1dx2y2 0.002298 -0.000635 -0.001130 -0.005315 0.001546 0.001713 35O 1dxy 0.003023 0.001454 -0.004294 0.001821 0.001206 -0.000612 35O 2dz2 0.031004 -0.019086 -0.073540 -0.000901 0.013275 0.010120 35O 2dxz -0.074020 -0.009252 -0.229649 0.087500 0.085191 -0.068661 35O 2dyz -0.049685 0.006277 -0.273641 0.058685 0.118722 0.034329 35O 2dx2y2 0.016034 -0.001714 0.075482 -0.058523 0.064750 -0.072317 35O 2dxy 0.014126 0.042071 -0.192637 0.041623 0.012609 0.057890 35O 1f0 0.002775 -0.002674 -0.001496 -0.004009 0.000502 0.002229 35O 1f+1 -0.001913 0.000506 0.004241 0.005649 -0.009527 -0.003513 35O 1f-1 0.008129 0.000534 -0.002610 0.003287 -0.004026 0.001042 35O 1f+2 -0.003021 -0.002142 0.001944 -0.002303 0.000377 -0.002188 35O 1f-2 -0.002858 0.002516 -0.000949 0.012335 -0.003200 -0.003677 35O 1f+3 0.002540 -0.000639 0.002094 0.001519 -0.000021 0.001512 35O 1f-3 0.008149 0.004568 0.006480 -0.008374 -0.008114 0.000583 444 445 446 447 448 449 2.55542 2.55946 2.55986 2.58493 2.59871 2.60632 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s 0.000730 -0.002005 0.000333 0.002650 0.002692 -0.001033 0Rh 2s -0.003706 0.012210 -0.001527 -0.011658 -0.016177 0.006820 0Rh 3s 0.002056 -0.004413 0.001039 0.008564 0.006062 -0.001959 0Rh 4s 0.019128 -0.063174 0.007898 0.060227 0.083863 -0.035422 0Rh 5s -0.029470 0.110575 -0.011275 -0.081672 -0.146100 0.065228 0Rh 6s -0.007320 -0.039019 -0.006825 -0.077560 0.045679 -0.034566 0Rh 7s 0.028543 0.063837 0.009522 0.473452 -0.036152 0.116246 0Rh 8s 0.093606 0.283992 0.029029 -0.105976 0.515397 -0.194359 0Rh 1pz -0.003643 0.002128 0.000694 -0.001317 -0.002182 -0.003265 0Rh 1px -0.001839 0.003463 -0.001391 -0.000414 -0.006411 0.001220 0Rh 1py 0.004282 -0.001145 0.005477 0.000036 -0.000196 -0.010614 0Rh 2pz 0.013238 -0.007863 -0.002476 0.004281 0.008089 0.011794 0Rh 2px 0.006771 -0.012439 0.005111 0.002159 0.023076 -0.004466 0Rh 2py -0.015475 0.004239 -0.020000 0.000016 0.000556 0.038620 0Rh 3pz -0.016139 0.012238 0.001681 0.005103 -0.013282 -0.012129 0Rh 3px -0.009877 0.011760 -0.007297 -0.015901 -0.022159 0.006120 0Rh 3py 0.016092 -0.006752 0.025930 -0.003066 0.002720 -0.046799 0Rh 4pz -0.024462 0.003784 0.012703 -0.049335 0.000282 -0.035738 0Rh 4px -0.007529 0.040136 -0.006018 0.048179 -0.077519 0.005432 0Rh 4py 0.047606 -0.001850 0.034089 0.012725 -0.016335 -0.079643 0Rh 5pz 0.030699 -0.000669 -0.033562 0.083829 -0.018210 0.076678 0Rh 5px 0.016203 -0.070495 0.011184 -0.072490 0.179912 -0.004365 0Rh 5py -0.112318 0.003930 -0.060226 -0.024534 0.037506 0.135046 0Rh 6pz 0.385972 -0.129387 0.088189 -0.265968 0.264881 -0.122736 0Rh 6px 0.089697 -0.290943 0.083319 -0.091735 -0.979069 -0.147814 0Rh 6py 0.207337 -0.099821 -0.285841 0.049596 -0.227291 0.303837 0Rh 1dz2 0.005195 -0.001713 -0.006116 0.001295 -0.004600 0.007019 0Rh 1dxz -0.003974 0.001677 0.001287 0.006296 -0.013712 0.004887 0Rh 1dyz 0.005167 0.003716 -0.017032 0.002352 -0.002885 0.004844 0Rh 1dx2y2 -0.000625 0.007739 -0.004075 -0.002419 0.007109 0.004070 0Rh 1dxy -0.001572 0.003919 -0.004287 -0.003469 0.002585 -0.005801 0Rh 2dz2 0.000902 0.000827 -0.003439 -0.000854 -0.001450 -0.001633 0Rh 2dxz -0.000495 0.002780 0.000121 -0.002223 -0.002781 0.001867 0Rh 2dyz 0.003731 -0.001170 -0.008160 0.000383 0.000126 -0.004695 0Rh 2dx2y2 0.001654 -0.003662 -0.000276 0.003055 0.003226 -0.001428 0Rh 2dxy 0.001482 -0.002103 -0.003940 0.001588 0.001716 -0.002845 0Rh 3dz2 -0.018874 0.001010 0.033023 0.000349 0.019746 -0.012751 0Rh 3dxz 0.013594 -0.017492 -0.004231 -0.007965 0.051851 -0.022525 0Rh 3dyz -0.031590 -0.005100 0.085444 -0.008497 0.007568 0.007681 0Rh 3dx2y2 -0.005680 -0.005246 0.012952 -0.007044 -0.034989 -0.005069 0Rh 3dxy -0.002296 -0.001489 0.029871 0.002726 -0.015210 0.029729 0Rh 4dz2 0.015553 0.013937 -0.054571 -0.014837 -0.022357 -0.022602 0Rh 4dxz -0.009158 0.045482 0.002072 -0.031377 -0.043763 0.030930 0Rh 4dyz 0.058251 -0.020404 -0.128370 0.007775 0.003629 -0.074286 0Rh 4dx2y2 0.024388 -0.058285 -0.006047 0.047968 0.049968 -0.023275 0Rh 4dxy 0.022930 -0.033966 -0.058212 0.023993 0.026922 -0.046549 0Rh 5dz2 -0.021675 -0.067385 0.136569 0.067442 -0.001360 0.128764 0Rh 5dxz 0.005192 -0.169587 0.004874 0.143308 -0.023275 -0.075278 0Rh 5dyz -0.160252 0.138219 0.297284 -0.022170 -0.067745 0.307733 0Rh 5dx2y2 -0.077630 0.294368 -0.004080 -0.188488 -0.039899 0.119374 0Rh 5dxy -0.088960 0.176115 0.138785 -0.115819 -0.053463 0.114019 0Rh 1f0 -0.021052 -0.001130 -0.022585 -0.001797 -0.021052 0.085502 0Rh 1f+1 0.004847 -0.010942 -0.012187 0.020656 0.035975 0.046573 0Rh 1f-1 0.033295 -0.013936 -0.011715 0.015639 0.033533 0.126231 0Rh 1f+2 -0.037031 0.102963 -0.023733 -0.023142 -0.058708 0.002811 0Rh 1f-2 0.006455 0.019031 -0.056399 0.009084 -0.001180 0.104391 0Rh 1f+3 0.024452 0.003566 0.022518 0.012825 0.038280 -0.044318 0Rh 1f-3 -0.018448 0.039652 0.006438 -0.005318 0.002618 0.074951 1Rh 1s 0.000641 0.002109 0.000093 0.002685 -0.002665 0.001003 1Rh 2s -0.003166 -0.012702 -0.000053 -0.011869 0.016018 -0.006730 1Rh 3s 0.001862 0.004729 0.000521 0.008644 -0.006000 0.001831 1Rh 4s 0.016336 0.065711 0.000275 0.061320 -0.083043 0.034955 1Rh 5s -0.024592 -0.114249 0.002101 -0.083593 0.144731 -0.064874 1Rh 6s -0.008975 0.036911 -0.011570 -0.076850 -0.045606 0.036384 1Rh 7s 0.030611 -0.054732 0.015453 0.471594 0.040348 -0.117658 1Rh 8s 0.101415 -0.273299 0.061141 -0.109590 -0.521948 0.179080 1Rh 1pz 0.003545 0.002584 -0.000975 0.001426 -0.002378 -0.003451 1Rh 1px 0.001652 0.003810 0.000977 0.000490 -0.006429 0.001297 1Rh 1py -0.003994 -0.002107 -0.005238 -0.000047 -0.000225 -0.010556 1Rh 2pz -0.012874 -0.009523 0.003509 -0.004677 0.008803 0.012466 1Rh 2px -0.006097 -0.013725 -0.003622 -0.002434 0.023139 -0.004739 1Rh 2py 0.014421 0.007737 0.019118 0.000026 0.000661 0.038422 1Rh 3pz 0.015519 0.014349 -0.003187 -0.004640 -0.014114 -0.012830 1Rh 3px 0.009178 0.013776 0.005839 0.016183 -0.022165 0.006287 1Rh 3py -0.014701 -0.010932 -0.024570 0.003022 0.002609 -0.046810 1Rh 4pz 0.024496 0.006310 -0.013584 0.050206 -0.001303 -0.037617 1Rh 4px 0.005618 0.040922 0.001435 -0.047379 -0.077875 0.006760 1Rh 4py -0.045924 -0.009712 -0.033526 -0.012894 -0.016572 -0.078159 1Rh 5pz -0.030973 -0.002763 0.034137 -0.085309 -0.015460 0.080004 1Rh 5px -0.012784 -0.072085 -0.003166 0.071043 0.180365 -0.006712 1Rh 5py 0.109453 0.020303 0.059419 0.025210 0.037760 0.131892 1Rh 6pz -0.375697 -0.182333 -0.064549 0.262098 0.265277 -0.114152 1Rh 6px -0.077284 -0.311770 -0.048024 0.086481 -0.979177 -0.153003 1Rh 6py -0.214951 -0.083551 0.282370 -0.062436 -0.222724 0.336595 1Rh 1dz2 0.005544 0.001529 -0.006243 0.001503 0.004548 -0.006900 1Rh 1dxz -0.003838 -0.001925 0.001549 0.006313 0.013703 -0.004879 1Rh 1dyz 0.005892 -0.005177 -0.016595 0.002414 0.002692 -0.004829 1Rh 1dx2y2 -0.000013 -0.008240 -0.003124 -0.002426 -0.007111 -0.003722 1Rh 1dxy -0.001314 -0.004415 -0.003886 -0.003548 -0.002588 0.006439 1Rh 2dz2 0.000864 -0.001196 -0.003319 -0.000869 0.001390 0.001665 1Rh 2dxz -0.000382 -0.002770 0.000432 -0.002272 0.002763 -0.001843 1Rh 2dyz 0.003517 0.000444 -0.008241 0.000395 -0.000170 0.004799 1Rh 2dx2y2 0.001468 0.003755 -0.000675 0.003129 -0.003231 0.001366 1Rh 2dxy 0.001316 0.001746 -0.004145 0.001609 -0.001726 0.002884 1Rh 3dz2 -0.019691 0.001189 0.032826 -0.000179 -0.019333 0.012252 1Rh 3dxz 0.012687 0.018159 -0.006399 -0.007787 -0.051746 0.022391 1Rh 3dyz -0.032647 0.012557 0.084584 -0.008724 -0.006812 -0.008189 1Rh 3dx2y2 -0.006571 0.006271 0.012075 -0.007366 0.035017 0.004345 1Rh 3dxy -0.002262 0.004500 0.029679 0.002856 0.015263 -0.031743 1Rh 4dz2 0.015038 -0.019650 -0.052571 -0.015074 0.021564 0.023343 1Rh 4dxz -0.007205 -0.045493 0.007180 -0.032185 0.043527 -0.030462 1Rh 4dyz 0.054540 0.008881 -0.129818 0.007918 -0.004398 0.075846 1Rh 4dx2y2 0.021501 0.059339 -0.012364 0.049188 -0.050014 0.022455 1Rh 4dxy 0.020173 0.028710 -0.061589 0.024304 -0.027053 0.047390 1Rh 5dz2 -0.016528 0.084564 0.127865 0.070446 0.002716 -0.132247 1Rh 5dxz -0.002358 0.168672 -0.013516 0.146831 0.023435 0.072902 1Rh 5dyz -0.135502 -0.110083 0.309167 -0.021474 0.068864 -0.313798 1Rh 5dx2y2 -0.061480 -0.299568 0.028401 -0.193582 0.039919 -0.113970 1Rh 5dxy -0.074386 -0.164211 0.156734 -0.117452 0.053625 -0.112323 1Rh 1f0 0.018201 0.003469 0.021834 0.000927 -0.021427 0.085010 1Rh 1f+1 -0.003682 -0.009889 0.013275 -0.021031 0.036428 0.046678 1Rh 1f-1 -0.036083 -0.017663 0.012504 -0.017334 0.035134 0.128251 1Rh 1f+2 0.030774 0.109829 0.011459 0.025081 -0.059826 0.002985 1Rh 1f-2 -0.008472 0.025004 0.052435 -0.009279 -0.000816 0.102821 1Rh 1f+3 -0.022943 -0.001793 -0.021654 -0.012471 0.039140 -0.042631 1Rh 1f-3 0.014216 0.039513 -0.011568 0.005413 0.002499 0.074861 2C 1s 0.000729 -0.000635 -0.004073 -0.001580 0.000333 0.001455 2C 2s 0.001005 -0.003567 -0.011042 -0.005694 0.003150 0.005732 2C 3s -0.125306 0.040746 0.445526 0.071774 0.005048 0.135050 2C 4s 0.654099 -0.054521 -2.010030 -0.051258 -0.192974 -1.175622 2C 5s 0.661735 0.273189 -1.247772 0.034213 -0.190934 0.318511 2C 1pz 0.017223 0.052660 0.117794 0.022668 0.031184 0.029030 2C 1px -0.067971 -0.035589 0.153098 0.115157 -0.045870 -0.056205 2C 1py -0.124374 -0.076534 0.119727 0.000208 -0.002212 0.043883 2C 2pz 0.884368 0.299432 -1.120818 -0.182885 0.399325 -0.348600 2C 2px 0.016757 0.520554 0.659601 1.220316 -1.485266 -0.915459 2C 2py -0.612134 -0.645959 -0.509423 -0.132312 -0.222018 -0.319891 2C 3pz 0.040192 -0.073195 -0.334999 0.016936 -0.028757 -0.006157 2C 3px 0.055589 0.004669 -0.160170 -0.086000 0.149906 0.108381 2C 3py 0.240575 0.148909 -0.250452 0.075513 -0.041532 -0.034694 2C 1dz2 0.081419 0.053954 -0.069820 -0.008484 0.008160 -0.020420 2C 1dxz 0.030939 0.075734 0.072654 0.102334 -0.128228 -0.052156 2C 1dyz 0.015290 -0.022252 -0.105749 -0.064867 0.041722 0.003328 2C 1dx2y2 0.066801 0.026619 -0.022723 -0.054260 0.082306 0.051249 2C 1dxy -0.076642 -0.033517 0.033550 0.021844 -0.074414 -0.013325 2C 2dz2 -0.485828 -0.435422 0.102310 0.048932 -0.062463 -0.092187 2C 2dxz 0.007825 -0.221448 -0.670082 -0.644778 0.533581 0.250896 2C 2dyz 0.195037 0.208112 0.001879 0.322682 -0.317487 -0.300839 2C 2dx2y2 -0.426233 -0.164948 0.235504 0.136455 -0.462270 0.027045 2C 2dxy 0.546048 0.339136 -0.399489 -0.230804 0.238120 0.134389 2C 1f0 -0.103660 -0.072598 0.055061 0.055338 -0.084718 -0.053384 2C 1f+1 0.060950 0.066246 0.034338 0.051501 -0.025267 -0.026607 2C 1f-1 0.068575 0.017502 -0.097610 -0.041501 0.045419 -0.014055 2C 1f+2 0.007748 -0.016372 -0.008280 -0.087910 0.080338 0.085449 2C 1f-2 -0.021506 -0.026352 -0.071558 -0.068310 0.007814 0.044457 2C 1f+3 -0.101900 -0.077811 0.042963 -0.018969 -0.007200 0.038232 2C 1f-3 -0.020862 0.018169 0.086749 0.108154 -0.071703 -0.075214 3C 1s -0.002258 0.000856 0.003688 -0.002620 0.000164 -0.002692 3C 2s -0.006477 0.001116 0.009720 -0.008528 0.002248 -0.009986 3C 3s 0.168748 -0.115073 -0.400891 0.157405 0.051825 -0.076685 3C 4s -0.657234 0.707436 1.825265 -0.401958 -0.449400 0.953320 3C 5s -0.389853 0.132885 1.428644 -0.217746 0.060311 -0.129953 3C 1pz -0.029490 -0.055713 -0.037459 -0.044720 0.029373 -0.066810 3C 1px -0.061366 -0.185909 -0.186804 0.113619 -0.047900 -0.008173 3C 1py -0.120642 -0.043365 0.123538 -0.070277 -0.028010 0.007053 3C 2pz -0.847926 -0.331744 0.762915 -0.813248 0.454860 -0.505656 3C 2px -0.678924 -0.474142 -0.447609 0.890521 -1.657228 0.996450 3C 2py -0.363881 -0.895414 -0.982356 0.091962 -0.151719 -0.553599 3C 3pz 0.055695 0.092959 0.187051 0.081167 -0.070372 0.128331 3C 3px 0.013675 0.220587 0.262461 -0.103210 0.041769 -0.078544 3C 3py 0.229297 0.087277 -0.345959 0.079668 -0.038356 0.051620 3C 1dz2 -0.002106 -0.008087 0.014020 -0.011815 0.051821 -0.016162 3C 1dxz -0.100971 -0.101759 -0.071544 0.075415 -0.160302 0.064462 3C 1dyz 0.062835 -0.011500 -0.113460 0.104424 -0.065659 0.049450 3C 1dx2y2 -0.082532 -0.097890 -0.057475 -0.007298 0.003882 -0.051565 3C 1dxy 0.013034 -0.004880 0.014143 -0.031805 0.059076 -0.048270 3C 2dz2 0.108621 -0.008112 -0.244367 0.260507 -0.155275 0.094601 3C 2dxz 0.561742 0.750175 0.589739 -0.365169 0.735404 -0.121690 3C 2dyz -0.192032 -0.064658 0.227063 -0.500712 0.440232 -0.463144 3C 2dx2y2 0.643590 0.684329 0.134333 0.027017 -0.000099 0.128284 3C 2dxy -0.032286 -0.467558 -0.568980 0.390003 -0.104777 0.067788 3C 1f0 0.101672 0.089520 -0.004684 0.054639 0.001531 0.060815 3C 1f+1 -0.023991 -0.066109 -0.087135 0.105539 -0.095889 0.070840 3C 1f-1 -0.074369 -0.077632 -0.007805 -0.043667 -0.026601 -0.052048 3C 1f+2 0.008563 -0.067200 -0.106760 0.038527 -0.003942 -0.031733 3C 1f-2 0.038406 0.025401 0.003859 -0.036991 0.065004 -0.054780 3C 1f+3 0.103801 0.128626 0.061864 -0.016541 0.061360 0.017642 3C 1f-3 0.011753 0.057566 0.097035 -0.120009 0.119442 -0.073085 4C 1s 0.000688 0.002359 0.001311 0.001408 -0.001392 -0.001052 4C 2s -0.000747 0.006756 0.013257 0.007677 -0.003524 -0.002606 4C 3s 0.154030 -0.117409 -0.553217 -0.168092 0.132261 0.099576 4C 4s -0.716316 0.365124 2.226155 0.429712 -0.677187 -0.245395 4C 5s -0.406098 -0.316086 0.824546 0.203503 -0.302666 -0.450937 4C 1pz -0.006681 -0.021270 0.021809 -0.027651 0.021008 0.083455 4C 1px 0.015957 0.006026 -0.079503 -0.036566 -0.040956 0.049182 4C 1py -0.003433 0.003746 -0.015794 -0.029710 -0.002517 0.060764 4C 2pz 0.177392 0.089120 -0.563517 0.164445 -0.236468 -0.796067 4C 2px 0.215927 0.154051 0.127921 0.052169 0.016407 -0.396821 4C 2py 0.102844 0.000165 -0.298045 0.070862 -0.136453 -0.565362 4C 3pz 0.440203 -0.020564 -1.094961 0.145445 -0.130616 -0.128385 4C 3px 0.048930 -0.208009 -0.184373 -0.066510 0.017251 -0.116118 4C 3py 0.157959 -0.153776 -0.739713 0.039754 -0.035857 -0.103121 4C 1dz2 0.005780 0.016827 -0.069769 -0.005821 -0.035239 -0.015882 4C 1dxz -0.012973 -0.025123 -0.028806 -0.023948 0.009375 -0.001983 4C 1dyz 0.051438 0.003373 -0.098374 0.013597 -0.015122 -0.071365 4C 1dx2y2 -0.028517 -0.041323 0.013681 0.008601 0.021318 0.014408 4C 1dxy 0.031632 0.017751 -0.040964 0.026538 -0.008573 -0.024916 4C 2dz2 -0.292193 -0.259343 0.287712 -0.145162 0.268942 0.453985 4C 2dxz 0.155265 0.201752 -0.044569 -0.116791 -0.169059 0.227379 4C 2dyz -0.184802 -0.032555 0.462410 -0.016937 0.076383 0.270639 4C 2dx2y2 -0.031952 0.023592 0.029866 0.161785 -0.191827 -0.425393 4C 2dxy 0.190536 0.299209 0.056893 0.092009 -0.211888 -0.189878 4C 1f0 0.093825 0.034856 -0.053413 -0.034808 0.050203 0.018193 4C 1f+1 0.003947 0.001032 -0.017739 0.016386 -0.040886 0.032611 4C 1f-1 -0.028283 -0.029296 0.028740 0.000383 0.036053 0.035200 4C 1f+2 -0.017777 0.024076 0.058583 0.025423 -0.039918 -0.024849 4C 1f-2 -0.001587 0.017752 0.046043 0.034741 -0.052707 -0.016329 4C 1f+3 0.024858 0.019879 0.029507 0.023053 -0.026619 -0.006143 4C 1f-3 -0.006434 -0.043271 -0.055404 -0.038587 0.041758 0.002516 5C 1s 0.001006 -0.000299 -0.000815 0.002034 0.000067 0.002629 5C 2s 0.006819 -0.002702 -0.010792 0.011394 0.001501 0.006722 5C 3s -0.205852 0.085279 0.494698 -0.335330 0.007869 -0.134058 5C 4s 0.726530 -0.359277 -2.007541 1.178958 -0.098527 0.351551 5C 5s 0.269053 0.047172 -0.879699 0.562976 -0.256850 0.159981 5C 1pz -0.022910 -0.019708 -0.012581 -0.013774 0.025938 -0.034468 5C 1px 0.036139 0.042039 0.040967 -0.057976 -0.051000 -0.049849 5C 1py 0.021208 0.041168 0.000298 0.041444 -0.025077 0.080750 5C 2pz -0.093644 0.147570 0.263125 0.029658 -0.234273 0.286519 5C 2px -0.184412 0.029622 0.242703 0.171621 0.213543 0.631898 5C 2py 0.042305 -0.437363 -0.440676 -0.179243 0.311671 -0.699462 5C 3pz -0.358357 0.117505 0.687361 -0.049918 -0.056796 -0.122947 5C 3px -0.085833 -0.217868 0.359015 -0.022942 0.158006 0.115144 5C 3py 0.364312 -0.230535 -1.134740 0.038088 0.052594 0.072871 5C 1dz2 0.018591 -0.007798 -0.040053 -0.006480 0.012892 -0.030039 5C 1dxz 0.029967 0.050739 0.028022 -0.006463 -0.045309 0.009967 5C 1dyz 0.010321 -0.064076 -0.086255 -0.003344 0.039599 -0.044556 5C 1dx2y2 0.045013 0.000008 -0.047121 0.026478 0.012648 -0.037784 5C 1dxy 0.040168 -0.000964 -0.050524 0.020634 0.001095 -0.008444 5C 2dz2 -0.061944 -0.134807 0.051391 -0.099875 0.097711 -0.198907 5C 2dxz 0.091886 0.199698 0.113589 -0.162300 0.007349 -0.113568 5C 2dyz -0.125068 0.304459 0.525584 -0.136049 -0.206919 0.304092 5C 2dx2y2 0.095477 0.549823 0.321409 0.247459 -0.347238 0.698340 5C 2dxy -0.084432 -0.189519 -0.034258 0.027823 0.140609 -0.055444 5C 1f0 -0.041017 -0.008116 0.032052 -0.025904 -0.003984 -0.002153 5C 1f+1 -0.027888 0.017058 0.060063 -0.037451 0.019085 -0.029096 5C 1f-1 0.049299 0.054958 -0.000448 0.012862 -0.042505 0.022563 5C 1f+2 -0.003556 0.011826 -0.004022 0.022449 -0.055387 0.057340 5C 1f-2 0.009363 -0.023685 -0.028889 0.001837 0.026535 -0.004021 5C 1f+3 -0.049303 -0.079425 -0.042745 0.014920 -0.033366 -0.024132 5C 1f-3 -0.044776 -0.059215 -0.091698 0.050720 -0.077668 0.021380 6C 1s 0.000992 0.000270 -0.000790 0.002027 -0.000071 -0.002592 6C 2s 0.006628 0.001947 -0.010898 0.011367 -0.001560 -0.006502 6C 3s -0.199026 -0.041289 0.499624 -0.334455 -0.005938 0.126377 6C 4s 0.694317 0.167574 -2.033375 1.172506 0.091465 -0.318347 6C 5s 0.274114 -0.126564 -0.882101 0.554846 0.262276 -0.137912 6C 1pz 0.024634 -0.015499 0.014869 0.013838 0.025830 -0.034953 6C 1px -0.038881 0.032806 -0.045585 0.058160 -0.050906 -0.050692 6C 1py -0.025979 0.038479 -0.005872 -0.041254 -0.025640 0.080221 6C 2pz 0.077082 0.121296 -0.278703 -0.030102 -0.235657 0.297610 6C 2px 0.185338 0.016398 -0.245742 -0.169582 0.207365 0.630812 6C 2py 0.004372 -0.385326 0.493442 0.175058 0.318180 -0.709287 6C 3pz 0.352723 0.064760 -0.693500 0.053048 -0.061801 -0.103419 6C 3px 0.097924 -0.253117 -0.325491 0.021967 0.148009 0.111358 6C 3py -0.351833 -0.125891 1.147964 -0.045849 0.057371 0.038403 6C 1dz2 0.018191 0.003393 -0.040316 -0.006291 -0.012239 0.031166 6C 1dxz 0.034028 -0.044809 0.034197 -0.007068 0.044682 -0.011415 6C 1dyz 0.005227 0.054305 -0.093409 -0.002086 -0.041097 0.045790 6C 1dx2y2 0.045522 -0.001881 -0.047036 0.026354 -0.013040 0.038028 6C 1dxy 0.039014 -0.001361 -0.050686 0.020462 -0.001933 0.009424 6C 2dz2 -0.069289 0.132386 0.036106 -0.099738 -0.097776 0.197151 6C 2dxz 0.102275 -0.173267 0.134636 -0.162971 -0.010728 0.117968 6C 2dyz -0.104137 -0.246910 0.556868 -0.137748 0.208843 -0.315206 6C 2dx2y2 0.138664 -0.496263 0.384969 0.240215 0.348070 -0.710319 6C 2dxy -0.088811 0.171888 -0.052489 0.031461 -0.134118 0.054340 6C 1f0 0.042510 -0.008543 -0.031225 0.026359 -0.004139 -0.001407 6C 1f+1 0.026409 0.011494 -0.060907 0.037271 0.018863 -0.028523 6C 1f-1 -0.054649 0.051358 -0.006208 -0.012650 -0.041678 0.024286 6C 1f+2 0.002056 0.013383 0.002312 -0.022156 -0.055585 0.057320 6C 1f-2 -0.007905 -0.020127 0.030293 -0.002145 0.026604 -0.003988 6C 1f+3 0.056762 -0.068596 0.051478 -0.014455 -0.032749 -0.022785 6C 1f-3 0.051285 -0.043856 0.098351 -0.050607 -0.077537 0.022669 7C 1s 0.000797 -0.002095 0.001597 0.001332 0.001396 0.000898 7C 2s -0.000427 -0.005065 0.014071 0.007462 0.003630 0.001963 7C 3s 0.148830 0.061073 -0.566541 -0.166546 -0.137617 -0.086389 7C 4s -0.700683 -0.151240 2.266210 0.432234 0.700376 0.206774 7C 5s -0.431122 0.379669 0.784507 0.220099 0.321587 0.451048 7C 1pz 0.006154 -0.021934 -0.019822 0.025803 0.020754 0.080044 7C 1px -0.015372 0.013987 0.078673 0.037215 -0.040556 0.049239 7C 1py 0.002161 0.006274 0.015416 0.029550 -0.002193 0.060251 7C 2pz -0.167035 0.136752 0.555525 -0.154721 -0.231644 -0.787847 7C 2px -0.224687 0.110684 -0.139825 -0.049572 0.020881 -0.386283 7C 2py -0.091514 0.021168 0.300091 -0.068715 -0.134263 -0.566549 7C 3pz -0.435757 0.071835 1.093668 -0.144513 -0.116811 -0.161064 7C 3px -0.043411 -0.186727 0.204550 0.061703 0.013468 -0.111026 7C 3py -0.148654 -0.080168 0.753032 -0.041736 -0.029469 -0.117185 7C 1dz2 0.006241 -0.023955 -0.066989 -0.006304 0.034975 0.016403 7C 1dxz -0.015689 0.020527 -0.030906 -0.023585 -0.008666 0.003439 7C 1dyz 0.050026 -0.010521 -0.099105 0.013055 0.014556 0.073504 7C 1dx2y2 -0.032010 0.040307 0.010007 0.009171 -0.019660 -0.014274 7C 1dxy 0.032762 -0.019474 -0.039136 0.025740 0.007018 0.025014 7C 2dz2 -0.292982 0.258257 0.260608 -0.135709 -0.261528 -0.449869 7C 2dxz 0.159770 -0.183586 -0.023971 -0.118712 0.159366 -0.227791 7C 2dyz -0.180734 0.070019 0.460934 -0.014795 -0.072406 -0.277878 7C 2dx2y2 -0.039526 -0.017808 0.029499 0.159242 0.189619 0.421744 7C 2dxy 0.195988 -0.263441 0.087820 0.086313 0.209322 0.185342 7C 1f0 -0.094930 0.032554 0.050528 0.035220 0.050545 0.017961 7C 1f+1 -0.006656 0.004403 0.018758 -0.016567 -0.039817 0.032042 7C 1f-1 0.027882 -0.029309 -0.025292 -0.000965 0.035593 0.035274 7C 1f+2 0.013904 0.019656 -0.059775 -0.025799 -0.040418 -0.026408 7C 1f-2 -0.000009 0.012789 -0.048363 -0.035811 -0.053382 -0.017705 7C 1f+3 -0.026508 0.014961 -0.032646 -0.023922 -0.027283 -0.005316 7C 1f-3 0.009771 -0.035872 0.059688 0.038238 0.041479 0.000643 8C 1s -0.002165 -0.000604 0.003742 -0.002593 -0.000145 0.002627 8C 2s -0.006286 -0.000485 0.009695 -0.008406 -0.002217 0.009829 8C 3s 0.156931 0.080250 -0.411173 0.157610 -0.054789 0.083080 8C 4s -0.587621 -0.537696 1.897353 -0.407552 0.465660 -0.987129 8C 5s -0.394370 0.000302 1.437737 -0.223310 -0.057749 0.087116 8C 1pz 0.036575 -0.050222 0.045079 0.043018 0.029879 -0.067957 8C 1px 0.075466 -0.154573 0.207598 -0.114602 -0.047468 -0.006530 8C 1py 0.124773 -0.047496 -0.117138 0.069139 -0.028696 0.010622 8C 2pz 0.884189 -0.364912 -0.708646 0.797475 0.445041 -0.500431 8C 2px 0.732540 -0.350557 0.506017 -0.882544 -1.646290 1.046414 8C 2py 0.456713 -0.744372 1.091412 -0.099664 -0.145372 -0.559612 8C 3pz -0.063171 0.067716 -0.197851 -0.077447 -0.070889 0.134979 8C 3px -0.029732 0.183682 -0.286748 0.104928 0.045280 -0.074732 8C 3py -0.238027 0.108808 0.331957 -0.078419 -0.034529 0.042746 8C 1dz2 -0.003496 0.011220 0.011536 -0.010186 -0.049849 0.016359 8C 1dxz -0.113105 0.084019 -0.083674 0.073877 0.158869 -0.067659 8C 1dyz 0.061699 0.002141 -0.114151 0.103831 0.065279 -0.050716 8C 1dx2y2 -0.091630 0.083466 -0.069282 -0.006611 -0.004998 0.052031 8C 1dxy 0.012350 0.009252 0.013463 -0.031824 -0.060636 0.049876 8C 2dz2 0.114475 -0.020357 -0.235312 0.250127 0.144147 -0.091422 8C 2dxz 0.641129 -0.625455 0.678229 -0.362455 -0.727598 0.135060 8C 2dyz -0.201171 0.083657 0.215840 -0.494602 -0.443505 0.476000 8C 2dx2y2 0.700824 -0.608288 0.216468 0.020758 0.002971 -0.122893 8C 2dxy -0.063160 0.380180 -0.619313 0.393076 0.110893 -0.072958 8C 1f0 -0.110061 0.080520 -0.005495 -0.055020 -0.000565 0.060814 8C 1f+1 0.030554 -0.053383 0.095109 -0.104443 -0.095166 0.072096 8C 1f-1 0.082816 -0.069787 0.017172 0.043343 -0.025778 -0.051072 8C 1f+2 -0.001297 -0.055292 0.114291 -0.038363 -0.003505 -0.033126 8C 1f-2 -0.042324 0.021670 -0.005660 0.035135 0.064887 -0.055512 8C 1f+3 -0.115652 0.110609 -0.075463 0.015416 0.058232 0.015864 8C 1f-3 -0.017634 0.044470 -0.103689 0.119607 0.119654 -0.076883 9C 1s 0.000688 0.000189 -0.004149 -0.001559 -0.000384 -0.001367 9C 2s 0.000825 0.002239 -0.011444 -0.005616 -0.003311 -0.005529 9C 3s -0.120152 0.002285 0.450294 0.072494 -0.000513 -0.141328 9C 4s 0.629898 -0.126231 -2.018483 -0.059952 0.174739 1.200098 9C 5s 0.680873 -0.362801 -1.212168 0.023313 0.170839 -0.295381 9C 1pz -0.020651 0.036185 -0.122100 -0.020822 0.029699 0.033005 9C 1px 0.063273 -0.043734 -0.148370 -0.117383 -0.047448 -0.056546 9C 1py 0.128616 -0.079880 -0.113870 -0.003767 -0.003216 0.041962 9C 2pz -0.895352 0.355244 1.098816 0.203608 0.405660 -0.335204 9C 2px -0.081991 0.456576 -0.708595 -1.226553 -1.474753 -0.922174 9C 2py 0.669388 -0.535043 0.564481 0.114731 -0.213595 -0.347873 9C 3pz -0.036060 -0.035691 0.338519 -0.018403 -0.027785 -0.016001 9C 3px -0.047952 0.012673 0.157576 0.089665 0.155558 0.107271 9C 3py -0.251280 0.156782 0.237498 -0.070256 -0.034672 -0.036806 9C 1dz2 0.084213 -0.054447 -0.065204 -0.010169 -0.010112 0.019994 9C 1dxz 0.039629 -0.066785 0.080530 0.104195 0.130416 0.053932 9C 1dyz 0.012850 0.010555 -0.107341 -0.064702 -0.040829 -0.001251 9C 1dx2y2 0.069989 -0.024939 -0.020329 -0.054526 -0.081388 -0.052823 9C 1dxy -0.076409 0.030189 0.029337 0.021292 0.070374 0.013924 9C 2dz2 -0.507316 0.398343 0.065294 0.063978 0.067277 0.102449 9C 2dxz -0.041604 0.164203 -0.690131 -0.657830 -0.549872 -0.255837 9C 2dyz 0.206514 -0.187120 0.016421 0.315148 0.310995 0.297976 9C 2dx2y2 -0.447352 0.164986 0.224279 0.143678 0.457959 -0.014316 9C 2dxy 0.547856 -0.331458 -0.360660 -0.233545 -0.221320 -0.139494 9C 1f0 0.108399 -0.069974 -0.047172 -0.057050 -0.081760 -0.056387 9C 1f+1 -0.064520 0.056101 -0.042648 -0.053151 -0.029203 -0.026662 9C 1f-1 -0.067786 0.022687 0.094583 0.041197 0.044788 -0.014900 9C 1f+2 -0.005640 -0.016262 0.006969 0.085173 0.079148 0.084637 9C 1f-2 0.023231 -0.016323 0.074133 0.069342 0.010432 0.043537 9C 1f+3 0.105998 -0.074126 -0.032093 0.020707 -0.004076 0.039343 9C 1f-3 0.020362 0.008519 -0.090234 -0.108819 -0.073177 -0.074236 10H 1s -0.025432 -0.010974 0.043317 0.100669 -0.061697 -0.105888 10H 2s 0.347887 -0.276132 -0.963193 -1.438999 1.688326 0.992036 10H 3s -0.151097 -0.022352 0.264747 0.375124 -0.397554 -0.348412 10H 1pz -0.111596 -0.190224 -0.025067 -0.220011 0.305263 0.197455 10H 1px -0.211323 0.000039 0.438868 0.513608 -0.522211 -0.351304 10H 1py 0.110747 0.067403 0.040822 0.025368 0.117961 -0.001865 11H 1s -0.050498 -0.057308 -0.063615 -0.092006 0.000582 0.076289 11H 2s 0.806220 0.961569 0.745717 0.994857 -0.541072 -0.480064 11H 3s -0.304480 -0.353912 -0.139019 -0.273402 0.224232 0.120519 11H 1pz 0.035280 0.111775 0.217462 0.235458 -0.161827 -0.117406 11H 1px 0.320254 0.317995 0.056536 0.136559 -0.060833 -0.010259 11H 1py -0.161502 -0.210532 -0.246357 -0.322604 0.162043 0.211688 12H 1s 0.127544 0.112657 -0.079414 -0.010400 0.025107 -0.006941 12H 2s -1.443024 -0.865923 0.935363 0.500732 -0.886093 -0.224478 12H 3s 0.353872 0.242706 -0.194156 -0.066786 0.241398 -0.020920 12H 1pz 0.317116 0.221107 -0.173393 -0.076592 0.100638 0.030374 12H 1px -0.247302 -0.183778 0.012248 -0.112355 -0.054205 0.138437 12H 1py -0.407323 -0.204432 0.356931 0.256383 -0.326243 -0.150059 13H 1s -0.023614 -0.054687 -0.054643 0.105755 -0.067668 0.082256 13H 2s 0.349504 0.633598 0.989940 -1.378444 1.812817 -1.185599 13H 3s -0.081872 -0.214838 -0.323353 0.383435 -0.420069 0.324318 13H 1pz 0.219577 0.258899 0.212821 -0.267667 0.448920 -0.259360 13H 1px -0.040069 -0.226974 -0.397557 0.479462 -0.432170 0.327290 13H 1py 0.113805 0.239768 0.088037 0.078275 -0.227634 0.192305 14H 1s 0.090396 0.167228 0.100185 -0.021292 0.028974 0.048666 14H 2s -1.282695 -1.625951 -1.103989 0.584737 -1.179531 0.028348 14H 3s 0.358457 0.492211 0.231268 -0.095644 0.221858 0.034897 14H 1pz -0.108646 -0.192079 -0.271734 0.285128 -0.298984 0.143271 14H 1px -0.451620 -0.520668 -0.282251 0.077972 -0.325041 -0.074946 14H 1py -0.269604 -0.388048 -0.220852 0.130057 -0.081503 0.027300 15H 1s -0.098753 -0.066682 0.054681 -0.104320 0.011046 -0.070232 15H 2s 1.186658 0.752973 -0.540879 1.000705 -0.366946 0.789395 15H 3s -0.351448 -0.258365 0.056045 -0.284169 0.149988 -0.274549 15H 1pz -0.403265 -0.305120 0.140065 -0.305109 0.112147 -0.225856 15H 1px 0.172247 0.238429 0.139335 -0.122157 0.082592 -0.060506 15H 1py -0.201706 -0.068522 0.190626 -0.277897 0.115309 -0.209601 16H 1s 0.004953 -0.054584 0.033210 0.024105 -0.003129 0.038050 16H 2s -0.112237 0.047129 0.037740 0.168554 0.396731 0.707332 16H 3s -0.006881 -0.130930 0.054787 0.051742 0.058122 0.156215 16H 1pz -0.068236 -0.064856 0.052290 0.140521 0.262804 0.445514 16H 1px -0.017813 0.023694 -0.026089 -0.081124 -0.095543 -0.064894 16H 1py -0.015437 -0.009975 0.051825 0.089016 0.104098 0.267497 17H 1s 0.002138 -0.029989 -0.035545 0.048932 -0.001885 -0.028671 17H 2s 0.043549 0.188309 -0.092752 -0.177910 0.017261 -0.231169 17H 3s -0.011893 -0.074115 -0.081482 0.085567 0.001612 -0.104408 17H 1pz -0.019443 -0.058756 0.095780 0.090232 0.034595 0.156386 17H 1px -0.033819 -0.029620 0.034435 -0.007690 -0.049102 0.127696 17H 1py 0.021456 0.055423 -0.021636 -0.009858 0.004304 -0.025310 18H 1s 0.004481 0.025631 -0.036530 0.049990 0.003121 0.029097 18H 2s 0.062508 -0.186544 -0.081222 -0.187067 -0.006225 0.275627 18H 3s -0.008937 0.063095 -0.087638 0.087023 0.001286 0.109386 18H 1pz 0.028725 -0.065203 -0.093750 -0.092599 0.036668 0.171566 18H 1px 0.042371 -0.027679 -0.032558 0.005516 -0.043005 0.145570 18H 1py -0.031943 0.051429 0.013003 0.011475 -0.003113 -0.040373 19H 1s 0.001780 0.059847 0.028433 0.024677 0.004010 -0.038524 19H 2s -0.107404 -0.049743 0.046845 0.162589 -0.382247 -0.668433 19H 3s -0.014238 0.138888 0.040479 0.052837 -0.055230 -0.153247 19H 1pz 0.070163 -0.066174 -0.047215 -0.135906 0.251251 0.419724 19H 1px 0.018025 0.028340 0.025765 0.082590 -0.093937 -0.064759 19H 1py 0.014398 -0.016730 -0.056628 -0.089430 0.101586 0.261725 20H 1s -0.106385 0.064699 0.045703 -0.102818 -0.011527 0.068872 20H 2s 1.265725 -0.724915 -0.441912 0.988383 0.371330 -0.792300 20H 3s -0.374236 0.237944 0.021626 -0.278605 -0.150281 0.278622 20H 1pz 0.433557 -0.288843 -0.102286 0.301736 0.114235 -0.227663 20H 1px -0.196943 0.205999 -0.165712 0.119114 0.080715 -0.062054 20H 1py 0.208123 -0.075483 -0.180611 0.275166 0.116209 -0.211227 21H 1s 0.104380 -0.145646 0.120268 -0.022891 -0.028288 -0.046511 21H 2s -1.442828 1.372197 -1.298034 0.585953 1.160489 -0.059393 21H 3s 0.405522 -0.427899 0.288698 -0.097475 -0.219585 -0.025501 21H 1pz 0.131870 -0.150883 0.296424 -0.282859 -0.297373 0.149818 21H 1px 0.501864 -0.443125 0.342268 -0.077895 -0.316998 -0.066572 21H 1py 0.305348 -0.334725 0.265463 -0.131101 -0.082058 0.030875 22H 1s -0.026289 0.044323 -0.059831 0.105537 0.068189 -0.084633 22H 2s 0.412780 -0.463938 1.057191 -1.362337 -1.805058 1.227681 22H 3s -0.097855 0.163408 -0.346675 0.380555 0.421681 -0.330947 22H 1pz -0.245716 0.209303 -0.240877 0.262561 0.442844 -0.269380 22H 1px 0.061797 -0.169745 0.422752 -0.474955 -0.433089 0.336933 22H 1py -0.132168 0.216576 -0.113827 -0.077589 -0.229046 0.199004 23H 1s 0.133281 -0.108845 -0.068063 -0.014261 -0.025197 0.003605 23H 2s -1.487409 0.846817 0.849645 0.523292 0.866996 0.247039 23H 3s 0.366576 -0.230879 -0.170266 -0.073825 -0.240213 0.012778 23H 1pz -0.327957 0.211751 0.150864 0.081774 0.101856 0.034178 23H 1px 0.254109 -0.161179 0.009843 0.112668 -0.046082 0.134529 23H 1py 0.418699 -0.212058 -0.336156 -0.261190 -0.320279 -0.154337 24H 1s -0.055716 0.045439 -0.068636 -0.089744 -0.002078 -0.071778 24H 2s 0.896957 -0.816161 0.836567 0.990818 0.563040 0.458604 24H 3s -0.334484 0.313228 -0.173118 -0.268505 -0.226646 -0.112644 24H 1pz -0.046634 0.084203 -0.227092 -0.236472 -0.166336 -0.115491 24H 1px -0.347427 0.287880 -0.092452 -0.138353 -0.069591 -0.007292 24H 1py 0.179735 -0.168073 0.264139 0.320745 0.164413 0.206649 25H 1s -0.024127 0.012239 0.041424 0.100676 0.061800 0.105873 25H 2s 0.295157 0.209204 -0.987731 -1.453089 -1.685579 -1.010839 25H 3s -0.143308 0.033690 0.260499 0.380846 0.401798 0.354294 25H 1pz 0.123239 -0.177381 0.046783 0.221775 0.306591 0.200581 25H 1px 0.197600 -0.027236 -0.436385 -0.519414 -0.522268 -0.356688 25H 1py -0.116064 0.054256 -0.051899 -0.029428 0.108869 -0.001469 26O 1s 0.000923 0.001068 -0.001028 0.003162 -0.002614 -0.002507 26O 2s 0.002625 0.002890 -0.005092 0.008546 -0.008145 -0.007008 26O 3s -0.005989 0.010541 0.067549 -0.014597 0.025400 -0.004381 26O 4s -0.115946 -0.224190 -0.157484 -0.151576 0.142399 0.322652 26O 5s 0.060006 -0.122009 -0.317244 -0.295496 0.448741 0.684036 26O 1pz 0.058518 0.009141 0.071164 0.103899 0.021222 -0.110508 26O 1px 0.063306 0.038535 -0.004217 0.002959 -0.017449 0.011597 26O 1py -0.134773 -0.107222 0.051717 0.000246 0.062903 -0.022788 26O 2pz -0.072871 -0.019459 -0.084398 -0.115462 -0.019123 0.049202 26O 2px -0.028207 0.088796 0.138149 0.141968 -0.141088 -0.290060 26O 2py 0.182664 0.198559 -0.014494 0.074776 -0.151315 -0.120995 26O 3pz 0.101474 -0.032846 -0.016703 -0.024847 0.108912 -0.115216 26O 3px 0.203915 0.166150 -0.018769 -0.129441 -0.098909 -0.151896 26O 3py -0.073459 -0.207364 0.095889 -0.161933 0.062984 -0.175986 26O 1dz2 0.000385 0.000791 -0.001659 -0.001106 0.000388 0.005600 26O 1dxz 0.000686 0.000912 -0.000068 -0.000972 0.001923 0.003130 26O 1dyz -0.000766 -0.005687 0.001765 0.000357 0.005228 0.003980 26O 1dx2y2 0.002062 0.001858 0.001701 0.005695 -0.002843 -0.004112 26O 1dxy -0.000514 -0.000697 0.001470 0.004125 0.002311 -0.001879 26O 2dz2 0.037565 0.026406 -0.068749 -0.027891 -0.042034 -0.022319 26O 2dxz -0.042419 0.016722 0.007618 -0.018106 -0.063212 0.067458 26O 2dyz 0.033757 -0.013901 -0.073369 -0.028675 -0.013322 -0.005799 26O 2dx2y2 -0.079151 -0.077085 0.028510 0.044347 0.047385 0.011077 26O 2dxy 0.050437 0.052559 -0.037528 0.040445 0.020640 0.012973 26O 1f0 -0.002772 -0.001505 0.004211 0.000131 -0.001323 -0.000145 26O 1f+1 0.002282 -0.004983 -0.012757 -0.005317 0.001742 -0.000580 26O 1f-1 -0.005159 -0.001563 0.002067 -0.002575 -0.003067 -0.003329 26O 1f+2 -0.000799 -0.004949 -0.000971 -0.001898 0.005791 0.001292 26O 1f-2 0.002656 0.002433 -0.004347 -0.000867 -0.002452 -0.006137 26O 1f+3 0.001453 0.001354 -0.007506 -0.002417 0.001342 0.001671 26O 1f-3 0.002674 -0.002997 -0.010969 -0.006626 0.003146 0.013097 27O 1s 0.002392 0.001462 0.000772 0.003210 -0.002352 0.004626 27O 2s 0.006777 0.003681 0.003152 0.008658 -0.006498 0.013756 27O 3s -0.019512 0.012470 -0.033787 -0.012055 0.006523 -0.027391 27O 4s -0.055259 -0.331960 0.000847 -0.134785 0.246713 -0.367544 27O 5s -0.133331 0.080678 0.119350 -0.760031 -0.157408 -0.784285 27O 1pz -0.112812 -0.173175 -0.095494 0.026292 0.084148 -0.043963 27O 1px 0.003335 0.004810 -0.005372 -0.001839 0.008432 -0.030098 27O 1py -0.112932 -0.059706 0.039254 -0.112006 0.000968 -0.071900 27O 2pz 0.123762 0.197083 0.115340 -0.033622 -0.091355 0.051525 27O 2px 0.047178 0.146745 -0.042083 0.208921 -0.157294 0.380234 27O 2py 0.167384 0.056268 -0.045393 0.088860 -0.001505 -0.009579 27O 3pz -0.121500 -0.176244 -0.113492 -0.020597 0.054310 -0.012511 27O 3px 0.015157 0.112574 0.146302 0.037540 0.216478 0.285742 27O 3py -0.218798 -0.176972 -0.020226 0.049340 -0.094112 -0.176918 27O 1dz2 -0.000966 -0.001247 0.000379 -0.003074 0.001663 -0.001286 27O 1dxz 0.000037 -0.001560 -0.000014 -0.002092 0.004234 -0.004145 27O 1dyz 0.001776 0.005142 0.000280 -0.000237 -0.002647 0.004340 27O 1dx2y2 -0.002962 0.000560 -0.000842 0.003755 -0.002819 0.006184 27O 1dxy -0.002049 0.001141 -0.000627 -0.001512 -0.003674 0.002001 27O 2dz2 0.005986 -0.022124 -0.020474 0.000700 0.026543 0.003844 27O 2dxz 0.043950 0.131081 0.065720 -0.040583 -0.046430 0.012685 27O 2dyz 0.030338 -0.066186 -0.104001 0.050636 0.025202 -0.047324 27O 2dx2y2 0.005477 -0.043897 -0.056940 0.033413 0.036901 -0.049444 27O 2dxy 0.080716 0.039627 -0.002606 0.035080 0.076054 0.029716 27O 1f0 0.000859 0.000411 0.002845 0.001421 0.002914 0.001651 27O 1f+1 -0.000246 -0.000198 0.006750 -0.008653 0.003827 -0.008431 27O 1f-1 -0.001743 0.001016 0.002889 -0.000242 -0.001812 0.000857 27O 1f+2 0.003295 0.004317 0.008613 -0.003773 0.000251 -0.006035 27O 1f-2 0.002784 -0.002528 -0.003147 0.000784 0.005238 -0.006585 27O 1f+3 -0.008733 -0.000728 0.010839 -0.009276 -0.000897 -0.003427 27O 1f-3 0.002286 0.001923 0.001317 0.001493 0.003669 0.004627 28O 1s 0.000551 0.000193 0.001405 0.002416 0.000327 -0.003052 28O 2s 0.003424 0.002392 0.002987 0.008483 -0.000592 -0.010791 28O 3s -0.054890 -0.037847 0.018318 -0.050849 0.020812 0.059226 28O 4s 0.240420 0.210630 -0.117912 0.093458 -0.171779 -0.036130 28O 5s 0.005088 -0.180889 -0.174027 -0.611188 0.598072 0.761740 28O 1pz -0.040445 0.001965 0.081746 0.054115 -0.058901 0.019811 28O 1px 0.019706 0.050461 -0.012812 0.020218 -0.058780 -0.003399 28O 1py 0.056795 0.103002 -0.000201 0.033271 -0.066858 -0.065228 28O 2pz 0.006706 0.015006 -0.075086 0.020704 0.033327 -0.184483 28O 2px 0.073160 -0.007903 -0.082231 -0.071306 0.041328 0.081727 28O 2py -0.060393 -0.116967 -0.013031 -0.017152 0.060541 0.015591 28O 3pz -0.206399 -0.067806 0.215692 0.098803 -0.454862 0.093810 28O 3px 0.173859 0.126945 -0.078712 -0.125129 0.162982 0.142802 28O 3py 0.098957 0.187945 -0.006273 0.049538 -0.197313 0.008569 28O 1dz2 -0.001092 -0.003367 0.003310 -0.001862 0.002183 0.005845 28O 1dxz -0.000491 -0.001290 0.002044 -0.001608 0.000194 0.000464 28O 1dyz -0.001447 -0.002226 -0.000570 -0.005297 0.001910 0.008617 28O 1dx2y2 0.001968 0.000185 -0.003528 0.000240 0.001034 -0.001876 28O 1dxy 0.001014 0.001119 -0.002735 -0.000810 0.000312 0.002889 28O 2dz2 0.010313 -0.059285 -0.052558 -0.108656 0.143082 0.124487 28O 2dxz -0.065770 -0.035478 0.068240 0.035274 -0.037681 -0.028017 28O 2dyz -0.037707 -0.099878 -0.094494 -0.118049 0.084277 0.149369 28O 2dx2y2 0.053418 0.058986 -0.040101 0.036863 -0.058172 -0.050834 28O 2dxy 0.059454 0.073924 -0.042975 0.026623 -0.055020 -0.019628 28O 1f0 0.002242 0.003988 -0.008471 -0.000921 0.001111 -0.000785 28O 1f+1 0.000963 -0.005247 -0.002188 -0.004250 0.009187 0.005814 28O 1f-1 0.002046 0.000597 -0.005295 -0.001914 0.001573 -0.006735 28O 1f+2 -0.005163 0.000523 0.009123 0.003806 -0.003534 -0.001755 28O 1f-2 0.000123 -0.000350 0.002530 0.000562 0.002336 0.004715 28O 1f+3 -0.001605 0.000689 0.002968 0.001570 0.002122 -0.002388 28O 1f-3 0.000694 -0.000301 -0.004913 -0.001026 0.000387 0.003968 29O 1s -0.000362 -0.003368 0.000048 0.001989 0.008695 0.004203 29O 2s -0.001021 -0.011335 0.000282 0.005213 0.025772 0.010566 29O 3s 0.001329 0.074715 -0.004326 -0.005094 -0.079913 0.013464 29O 4s 0.005558 -0.096832 0.001480 -0.056215 -0.158693 -0.202118 29O 5s 0.047059 -0.019435 0.059992 -0.061479 0.088620 -0.245907 29O 1pz -0.030807 -0.101117 0.129540 0.107404 0.129550 0.276912 29O 1px -0.038084 0.098657 0.033649 -0.163756 -0.116968 0.138345 29O 1py -0.009561 0.040119 -0.023082 0.002675 -0.040241 0.160731 29O 2pz -0.030186 0.059462 -0.093116 0.002126 0.028313 0.083033 29O 2px 0.037001 -0.196946 -0.005618 0.269538 0.158316 -0.137082 29O 2py 0.012231 -0.032421 0.015349 0.023444 0.162974 -0.129578 29O 3pz -0.067877 -0.105006 0.133169 0.135729 0.223056 0.461990 29O 3px -0.030332 0.156841 0.062219 -0.120665 -0.227734 0.192923 29O 3py -0.048801 0.040616 -0.050383 -0.014484 0.008206 0.078171 29O 1dz2 -0.001174 -0.001224 0.000412 0.002347 0.005164 0.009449 29O 1dxz 0.000722 0.001773 -0.001591 -0.002214 -0.000575 -0.004971 29O 1dyz -0.001462 -0.002221 0.000312 0.003805 0.004974 0.008693 29O 1dx2y2 0.000713 -0.001722 -0.001138 0.001323 -0.001725 -0.004333 29O 1dxy 0.000279 -0.001695 0.000945 0.001297 -0.000749 0.002261 29O 2dz2 0.008050 0.049986 -0.079505 -0.121250 -0.129195 -0.250274 29O 2dxz -0.023918 0.010337 0.014908 -0.056757 -0.051391 0.038482 29O 2dyz 0.040266 0.046494 -0.059500 -0.039597 -0.076846 -0.238696 29O 2dx2y2 0.004771 -0.076663 0.002671 0.051173 0.064328 -0.028022 29O 2dxy 0.012512 0.011772 -0.061086 -0.036875 -0.024481 -0.074333 29O 1f0 -0.001317 0.000672 0.000851 0.003808 0.011078 0.010825 29O 1f+1 -0.000585 -0.000563 0.000651 -0.001106 -0.003375 0.000118 29O 1f-1 -0.003806 0.001766 0.002270 0.005111 0.015483 0.025033 29O 1f+2 0.000456 0.002136 -0.000952 -0.005947 -0.006024 -0.009122 29O 1f-2 0.002618 0.006636 -0.004988 -0.008161 -0.002144 -0.013153 29O 1f+3 -0.001754 0.000617 0.000160 -0.002358 0.000442 0.001068 29O 1f-3 -0.002200 -0.002167 0.000584 0.001350 0.000581 0.005941 30O 1s -0.000021 -0.001116 -0.000927 0.003369 0.001113 0.001913 30O 2s -0.000352 -0.001620 -0.000426 0.011065 0.001836 0.008035 30O 3s 0.009758 -0.029560 -0.052714 -0.054461 0.008862 -0.064978 30O 4s -0.011331 0.315365 0.281345 0.052138 -0.178916 0.202386 30O 5s -0.166742 -0.602650 0.172708 -0.769675 0.747169 -0.618704 30O 1pz 0.060994 0.134375 0.031497 0.029734 -0.090982 0.063389 30O 1px 0.055598 0.117819 0.047401 0.021560 -0.092461 0.090700 30O 1py -0.015514 0.037556 0.096663 -0.063920 0.022248 -0.034823 30O 2pz -0.043453 -0.164339 -0.094664 0.038861 0.094801 -0.021851 30O 2px -0.103890 -0.059091 0.092469 -0.106794 0.079009 -0.098238 30O 2py -0.038194 -0.087322 -0.074622 -0.019954 0.027496 -0.058879 30O 3pz 0.103530 0.141658 -0.108483 0.060795 -0.291306 -0.058450 30O 3px 0.044934 0.133383 0.203901 -0.173012 0.119255 0.077180 30O 3py 0.159823 0.221600 0.233496 -0.129887 0.339303 0.085574 30O 1dz2 -0.000874 0.001178 -0.000921 0.000544 -0.002980 -0.000014 30O 1dxz -0.001510 -0.001376 -0.002134 -0.001690 -0.001304 -0.002506 30O 1dyz 0.000114 0.001924 0.000729 0.004816 -0.001868 0.008242 30O 1dx2y2 0.002357 0.005926 0.005539 0.000817 -0.001307 0.004372 30O 1dxy 0.002446 0.001029 -0.001142 0.002652 0.000167 0.004007 30O 2dz2 -0.025967 -0.091200 -0.077963 0.021634 0.019926 -0.038597 30O 2dxz 0.009741 -0.000177 -0.038338 -0.007875 -0.002573 -0.047500 30O 2dyz 0.050633 0.118797 -0.085485 0.157105 -0.134589 0.188889 30O 2dx2y2 0.047638 0.153414 0.027163 0.094126 -0.176683 0.187309 30O 2dxy 0.069802 0.080327 0.043851 -0.020530 0.032692 0.036437 30O 1f0 -0.005192 -0.004690 0.002168 -0.002143 0.000818 -0.003619 30O 1f+1 0.000906 -0.000726 0.002227 -0.000427 0.000202 0.000968 30O 1f-1 0.001274 -0.001234 -0.003267 0.000702 0.001845 -0.004318 30O 1f+2 0.001115 -0.004140 -0.007735 0.002953 0.001533 -0.005704 30O 1f-2 0.001093 -0.001478 -0.007463 0.005076 -0.005718 0.004232 30O 1f+3 0.002164 -0.000594 0.001963 -0.003552 0.006983 -0.006892 30O 1f-3 0.004035 -0.005094 -0.011020 0.005867 -0.003182 0.001827 31O 1s -0.000143 0.000998 -0.001037 0.003302 -0.001133 -0.001922 31O 2s -0.000628 0.001550 -0.000566 0.010823 -0.001938 -0.008158 31O 3s 0.009062 0.023294 -0.055746 -0.052490 -0.007676 0.066977 31O 4s 0.006734 -0.276822 0.312807 0.045996 0.173912 -0.210708 31O 5s -0.223466 0.607117 0.102479 -0.758352 -0.745219 0.639282 31O 1pz -0.071905 0.122490 -0.045181 -0.028627 -0.087703 0.068025 31O 1px -0.063211 0.105000 -0.060773 -0.020072 -0.090943 0.092833 31O 1py 0.010472 0.026640 -0.100021 0.062795 0.024746 -0.031036 31O 2pz 0.054502 -0.145462 0.110028 -0.040807 0.089502 -0.028214 31O 2px 0.109208 -0.060412 -0.083560 0.105816 0.078262 -0.099252 31O 2py 0.049420 -0.073723 0.084847 0.020864 0.024473 -0.065061 31O 3pz -0.110730 0.146354 0.093669 -0.056752 -0.287976 -0.049637 31O 3px -0.045899 0.099740 -0.220494 0.172963 0.120259 0.076123 31O 3py -0.183321 0.172727 -0.257901 0.126527 0.338720 0.080111 31O 1dz2 -0.000810 -0.001333 -0.000845 0.000498 0.002921 -0.000043 31O 1dxz -0.001678 0.000921 -0.002311 -0.001704 0.001256 0.002471 31O 1dyz 0.000397 -0.001871 0.001050 0.004800 0.001843 -0.008475 31O 1dx2y2 0.002738 -0.004931 0.006217 0.000769 0.001322 -0.004483 31O 1dxy 0.002573 -0.000910 -0.000968 0.002653 -0.000095 -0.003890 31O 2dz2 -0.033223 0.078400 -0.088716 0.021091 -0.020507 0.039001 31O 2dxz 0.010240 -0.004367 -0.038925 -0.007482 0.002506 0.048243 31O 2dyz 0.060950 -0.124209 -0.071527 0.155240 0.133398 -0.192780 31O 2dx2y2 0.057015 -0.143952 0.044332 0.091658 0.175451 -0.192622 31O 2dxy 0.076650 -0.067008 0.053091 -0.019819 -0.032414 -0.034167 31O 1f0 0.005663 -0.004380 -0.001542 0.002134 0.000825 -0.003572 31O 1f+1 -0.000812 -0.001089 -0.002155 0.000418 0.000249 0.000924 31O 1f-1 -0.001042 -0.000983 0.003386 -0.000671 0.001882 -0.004354 31O 1f+2 -0.000767 -0.003249 0.008198 -0.002975 0.001512 -0.005735 31O 1f-2 -0.000999 -0.000565 0.007518 -0.005060 -0.005823 0.004191 31O 1f+3 -0.002266 -0.001060 -0.001831 0.003431 0.007012 -0.006854 31O 1f-3 -0.003669 -0.004085 0.011547 -0.005904 -0.003053 0.001714 32O 1s -0.000142 0.003444 -0.000084 0.001953 -0.008309 -0.003542 32O 2s -0.000435 0.011545 -0.000186 0.005170 -0.024687 -0.008891 32O 3s 0.001270 -0.075018 -0.000576 -0.006645 0.077926 -0.011355 32O 4s -0.002190 0.093900 -0.003707 -0.049958 0.150094 0.170280 32O 5s 0.034328 0.021925 0.054812 -0.055840 -0.105345 0.200234 32O 1pz 0.040002 -0.115261 -0.120517 -0.107297 0.127522 0.273211 32O 1px 0.038172 0.099522 -0.043727 0.165902 -0.113136 0.142050 32O 1py 0.003287 0.038931 0.015578 0.000126 -0.045170 0.146771 32O 2pz 0.025302 0.076301 0.083261 -0.001987 0.024836 0.082682 32O 2px -0.028653 -0.197956 0.024847 -0.274643 0.156304 -0.128109 32O 2py -0.008870 -0.034447 -0.009611 -0.027919 0.166627 -0.120436 32O 3pz 0.078271 -0.116803 -0.125419 -0.135898 0.218962 0.457440 32O 3px 0.027749 0.153833 -0.081459 0.122845 -0.224596 0.199188 32O 3py 0.045301 0.044438 0.046098 0.017768 0.004069 0.061269 32O 1dz2 -0.001136 0.001096 0.000316 0.002147 -0.004824 -0.008686 32O 1dxz 0.001082 -0.001878 -0.001489 -0.002332 0.000729 0.005551 32O 1dyz -0.001723 0.002075 0.000215 0.003899 -0.005025 -0.008831 32O 1dx2y2 0.000664 0.001584 -0.001454 0.001291 0.001727 0.004363 32O 1dxy 0.000093 0.001702 0.000737 0.001364 0.000622 -0.002554 32O 2dz2 0.005719 -0.057263 -0.076377 -0.118506 0.118516 0.226955 32O 2dxz -0.029533 -0.010078 0.017664 -0.053444 0.043824 -0.054579 32O 2dyz 0.046776 -0.050740 -0.058376 -0.044387 0.080945 0.251155 32O 2dx2y2 -0.001705 0.078579 -0.005287 0.054625 -0.067783 0.018939 32O 2dxy 0.015408 -0.014930 -0.060700 -0.037375 0.024780 0.078068 32O 1f0 0.000821 0.000423 -0.000759 -0.003288 0.009656 0.008053 32O 1f+1 0.000864 -0.000709 -0.000793 0.000835 -0.003332 0.000880 32O 1f-1 0.003444 0.001823 -0.002549 -0.004748 0.015127 0.023350 32O 1f+2 -0.000503 0.002022 0.000820 0.005883 -0.006190 -0.008978 32O 1f-2 -0.003337 0.006670 0.004604 0.008577 -0.002784 -0.014861 32O 1f+3 0.001833 0.001080 -0.000170 0.002606 0.000543 0.001010 32O 1f-3 0.002505 -0.001944 -0.000487 -0.001495 0.000878 0.006630 33O 1s 0.000606 0.000058 0.001460 0.002405 -0.000251 0.003136 33O 2s 0.003651 -0.001558 0.003353 0.008415 0.000772 0.011101 33O 3s -0.056455 0.033125 0.013665 -0.049991 -0.020532 -0.061596 33O 4s 0.242151 -0.194241 -0.094981 0.089934 0.164387 0.040126 33O 5s 0.027450 0.152719 -0.193230 -0.604987 -0.599705 -0.760206 33O 1pz 0.040353 -0.004070 -0.080636 -0.053978 -0.059912 0.023174 33O 1px -0.020917 0.048275 0.007700 -0.018770 -0.058140 -0.002217 33O 1py -0.059758 0.094297 -0.012478 -0.031473 -0.066495 -0.067207 33O 2pz -0.006212 0.022671 0.071786 -0.019042 0.033224 -0.185378 33O 2px -0.073690 -0.004096 0.082880 0.069942 0.044606 0.078678 33O 2py 0.066245 -0.106766 0.027446 0.015572 0.060151 0.018178 33O 3pz 0.203859 -0.068346 -0.208515 -0.105642 -0.457831 0.080930 33O 3px -0.182822 0.114398 0.067991 0.130484 0.167803 0.146953 33O 3py -0.115000 0.180384 -0.013303 -0.050702 -0.198928 0.002260 33O 1dz2 -0.001143 0.003465 0.002924 -0.001781 -0.001972 -0.005783 33O 1dxz -0.000555 0.001441 0.001883 -0.001523 -0.000151 -0.000203 33O 1dyz -0.001442 0.001950 -0.000728 -0.005168 -0.001903 -0.008566 33O 1dx2y2 0.001860 -0.000391 -0.003550 0.000126 -0.000964 0.001829 33O 1dxy 0.001153 -0.001352 -0.002642 -0.000819 -0.000346 -0.002880 33O 2dz2 0.011273 0.051399 -0.057718 -0.106864 -0.139861 -0.122229 33O 2dxz -0.067364 0.035751 0.064635 0.036734 0.039576 0.031081 33O 2dyz -0.037615 0.081624 -0.105172 -0.116222 -0.084802 -0.147987 33O 2dx2y2 0.054209 -0.056942 -0.034324 0.034297 0.057650 0.050289 33O 2dxy 0.063074 -0.072834 -0.034827 0.026539 0.054756 0.021305 33O 1f0 -0.002641 0.004773 0.008015 0.000992 0.001116 -0.000802 33O 1f+1 -0.000584 -0.005027 0.002716 0.004124 0.009080 0.005590 33O 1f-1 -0.001756 0.000872 0.005225 0.002037 0.001708 -0.006681 33O 1f+2 0.004960 0.000002 -0.009140 -0.003870 -0.003816 -0.001596 33O 1f-2 -0.000229 -0.000722 -0.002500 -0.000541 0.002475 0.004937 33O 1f+3 0.001619 0.000407 -0.003134 -0.001479 0.001978 -0.002219 33O 1f-3 -0.000735 0.000247 0.004958 0.001091 0.000569 0.004107 34O 1s 0.002450 -0.001128 0.000942 0.003104 0.002456 -0.004528 34O 2s 0.006916 -0.002639 0.003611 0.008340 0.006889 -0.013380 34O 3s -0.018192 -0.017964 -0.032788 -0.010704 -0.009475 0.024383 34O 4s -0.078690 0.321115 -0.035123 -0.132254 -0.239968 0.375964 34O 5s -0.125645 -0.071877 0.124043 -0.755562 0.143466 0.783067 34O 1pz 0.126652 -0.150614 0.113887 -0.027778 0.083315 -0.040600 34O 1px -0.002889 0.003845 0.005651 0.001846 0.009783 -0.028784 34O 1py 0.121102 -0.054837 -0.031973 0.111763 0.001618 -0.069844 34O 2pz -0.140210 0.171431 -0.136816 0.035558 -0.090629 0.047598 34O 2px -0.058664 0.147289 0.022945 -0.206504 -0.158972 0.380882 34O 2py -0.174767 0.047016 0.039683 -0.088706 -0.001173 -0.012364 34O 3pz 0.134390 -0.150349 0.135821 0.020965 0.052705 -0.016548 34O 3px -0.017961 0.091400 -0.153803 -0.031664 0.212220 0.273690 34O 3py 0.237939 -0.151010 0.035806 -0.050262 -0.091651 -0.168049 34O 1dz2 -0.001048 0.001147 0.000275 -0.003017 -0.001524 0.001565 34O 1dxz -0.000150 0.001568 -0.000201 -0.002079 -0.004235 0.004229 34O 1dyz 0.002170 -0.004885 0.000968 -0.000288 0.002629 -0.004290 34O 1dx2y2 -0.002804 -0.000944 -0.000720 0.003773 0.002865 -0.006299 34O 1dxy -0.001938 -0.001408 -0.000422 -0.001504 0.003735 -0.001996 34O 2dz2 0.003577 0.019302 -0.022337 0.001022 -0.024905 0.000070 34O 2dxz 0.053372 -0.117489 0.079842 -0.041246 0.045454 -0.011511 34O 2dyz 0.024451 0.055390 -0.109990 0.050791 -0.025368 0.048218 34O 2dx2y2 0.004230 0.035716 -0.060597 0.035101 -0.036235 0.048750 34O 2dxy 0.086197 -0.033101 0.003269 0.035814 -0.073919 -0.027976 34O 1f0 -0.000952 -0.000081 -0.002790 -0.001466 0.002894 0.001601 34O 1f+1 0.000239 -0.000970 -0.006689 0.008555 0.003813 -0.008498 34O 1f-1 0.001668 0.000783 -0.002983 0.000232 -0.001806 0.000887 34O 1f+2 -0.003641 0.002885 -0.009085 0.003804 0.000309 -0.005838 34O 1f-2 -0.002590 -0.002469 0.003551 -0.000818 0.005225 -0.006800 34O 1f+3 0.008667 -0.001236 -0.010724 0.009279 -0.000976 -0.003419 34O 1f-3 -0.002600 0.001575 -0.001611 -0.001551 0.003571 0.004487 35O 1s 0.000929 -0.001002 -0.000883 0.003087 0.002601 0.002374 35O 2s 0.002657 -0.002993 -0.004682 0.008305 0.008144 0.006612 35O 3s -0.006019 -0.002941 0.068015 -0.013641 -0.026107 0.005692 35O 4s -0.116137 0.185137 -0.180739 -0.147640 -0.135660 -0.318791 35O 5s 0.055616 0.077579 -0.323717 -0.294382 -0.457142 -0.672494 35O 1pz -0.058597 -0.004141 -0.071031 -0.102907 0.023079 -0.105075 35O 1px -0.063771 0.031947 0.000210 -0.002224 -0.014726 0.014502 35O 1py 0.140241 -0.100439 -0.039944 -0.002522 0.056494 -0.029543 35O 2pz 0.074604 -0.002995 0.085648 0.115000 -0.022565 0.041925 35O 2px 0.027547 0.070489 -0.146743 -0.139763 -0.143318 -0.289071 35O 2py -0.191403 0.180869 -0.006593 -0.070374 -0.142222 -0.110146 35O 3pz -0.095204 -0.038829 0.017432 0.023299 0.107249 -0.106381 35O 3px -0.206311 0.140940 0.002574 0.130171 -0.097307 -0.141941 35O 3py 0.093341 -0.212958 -0.070017 0.159400 0.059162 -0.176571 35O 1dz2 0.000623 -0.000921 -0.001517 -0.001054 -0.000491 -0.005661 35O 1dxz 0.000733 -0.000740 0.000036 -0.001022 -0.002025 -0.003205 35O 1dyz -0.001020 0.005809 0.001168 0.000531 -0.005285 -0.003934 35O 1dx2y2 0.002139 -0.001513 0.001915 0.005660 0.002802 0.004143 35O 1dxy -0.000543 0.000857 0.001408 0.004142 -0.002325 0.001959 35O 2dz2 0.037047 -0.029628 -0.065062 -0.028386 0.040237 0.021859 35O 2dxz -0.040971 -0.019325 0.009999 -0.017798 0.060986 -0.066323 35O 2dyz 0.030621 0.007861 -0.074913 -0.027822 0.010812 0.008528 35O 2dx2y2 -0.081683 0.071157 0.020425 0.044945 -0.046882 -0.010077 35O 2dxy 0.053617 -0.053030 -0.030012 0.040134 -0.021047 -0.011241 35O 1f0 0.002801 -0.001714 -0.003981 -0.000173 -0.001262 -0.000219 35O 1f+1 -0.001815 -0.003588 0.013300 0.005389 0.001902 -0.000807 35O 1f-1 0.005202 -0.001132 -0.001929 0.002548 -0.003216 -0.003464 35O 1f+2 0.001350 -0.004896 0.001499 0.001908 0.005797 0.001407 35O 1f-2 -0.002717 0.002669 0.004152 0.000892 -0.002429 -0.006278 35O 1f+3 -0.001765 0.002191 0.007404 0.002470 0.001444 0.001383 35O 1f-3 -0.002667 -0.001686 0.011273 0.006485 0.003116 0.012893 450 451 452 453 454 455 2.60753 2.61481 2.62556 2.63458 2.64154 2.64235 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s -0.000621 0.000258 0.000138 -0.001291 -0.003441 -0.000461 0Rh 2s 0.003824 -0.002304 0.000169 0.008200 0.023232 0.002748 0Rh 3s -0.001340 0.000121 0.000920 -0.002644 -0.006209 -0.001053 0Rh 4s -0.019821 0.011905 -0.000794 -0.042830 -0.120640 -0.014260 0Rh 5s 0.034812 -0.023635 0.005251 0.080056 0.221700 0.024497 0Rh 6s -0.011607 0.017151 -0.015982 -0.050718 -0.107288 -0.003578 0Rh 7s 0.009617 0.041618 -0.148807 0.288056 0.109982 -0.028175 0Rh 8s 0.053629 -0.123324 0.486943 -0.729468 0.488892 -0.131632 0Rh 1pz 0.000824 0.000880 -0.004741 -0.004935 -0.012766 0.000816 0Rh 1px 0.000784 -0.000893 0.000994 -0.002085 -0.001963 -0.004087 0Rh 1py 0.003533 0.001526 0.005978 0.005632 0.004572 0.013594 0Rh 2pz -0.003008 -0.003163 0.017261 0.017753 0.046279 -0.002911 0Rh 2px -0.002835 0.003338 -0.003630 0.007549 0.007105 0.014711 0Rh 2py -0.012836 -0.005589 -0.021604 -0.020231 -0.016336 -0.049420 0Rh 3pz 0.004370 0.002837 -0.021295 -0.017103 -0.052238 0.001682 0Rh 3px 0.003029 -0.005888 0.003987 -0.008257 -0.008288 -0.014336 0Rh 3py 0.014995 0.007599 0.022916 0.019972 0.012998 0.059149 0Rh 4pz -0.000739 0.012060 -0.032461 -0.056458 -0.111278 0.017467 0Rh 4px 0.007667 0.000697 0.012861 -0.019253 -0.012762 -0.045009 0Rh 4py 0.029829 0.007317 0.059462 0.053483 0.065579 0.101685 0Rh 5pz 0.025474 -0.032934 0.044714 0.107064 0.186726 -0.045154 0Rh 5px -0.014157 -0.006464 -0.030452 0.030716 0.004830 0.080071 0Rh 5py -0.057537 -0.006342 -0.119482 -0.050489 -0.135886 -0.160977 0Rh 6pz -0.315137 0.239815 0.383060 0.052235 0.598625 -0.142680 0Rh 6px 0.029685 0.166061 -0.039026 0.044623 0.299435 -0.008162 0Rh 6py 0.068516 -0.269186 0.508381 -0.876274 0.185408 -0.428485 0Rh 1dz2 -0.001566 0.000857 0.000787 -0.003583 0.009547 -0.005675 0Rh 1dxz 0.004126 -0.006010 -0.000803 0.000865 0.001408 0.000429 0Rh 1dyz 0.000630 -0.006393 -0.002179 -0.002390 0.002495 -0.014126 0Rh 1dx2y2 -0.002188 -0.000934 -0.005635 -0.006906 -0.005199 -0.004323 0Rh 1dxy 0.002345 0.002682 -0.012818 0.003888 -0.004079 0.005657 0Rh 2dz2 0.000163 -0.000490 0.000033 0.001510 0.001321 -0.001919 0Rh 2dxz 0.001521 -0.001996 -0.000839 0.001657 0.001755 -0.000082 0Rh 2dyz 0.002120 -0.002802 -0.000630 0.001613 -0.001455 0.000074 0Rh 2dx2y2 -0.000205 -0.001637 0.000876 -0.002829 -0.003360 -0.001620 0Rh 2dxy 0.000417 -0.000635 -0.001825 0.001036 -0.003047 0.000346 0Rh 3dz2 0.003543 -0.000206 -0.002252 0.003236 -0.033594 0.024612 0Rh 3dxz -0.018603 0.026069 0.006100 -0.010174 -0.012120 -0.001019 0Rh 3dyz -0.011636 0.031317 0.009121 -0.000655 -0.000450 0.040458 0Rh 3dx2y2 0.007173 0.009969 0.012315 0.032968 0.030335 0.019538 0Rh 3dxy -0.008730 -0.004765 0.045146 -0.015842 0.025597 -0.017884 0Rh 4dz2 0.004866 -0.007731 -0.001998 0.025587 0.022844 -0.023845 0Rh 4dxz 0.022379 -0.028582 -0.013629 0.028727 0.028074 0.001254 0Rh 4dyz 0.036251 -0.049406 -0.010663 0.027551 -0.023675 -0.002956 0Rh 4dx2y2 -0.002425 -0.023597 0.011500 -0.049289 -0.053458 -0.020753 0Rh 4dxy 0.008424 -0.010584 -0.031017 0.015262 -0.048232 0.005825 0Rh 5dz2 -0.034411 0.038254 0.035594 -0.138538 0.018329 -0.013943 0Rh 5dxz -0.027502 0.024771 0.049546 -0.110671 -0.057445 -0.013271 0Rh 5dyz -0.138650 0.158430 0.038622 -0.138198 0.115792 -0.106924 0Rh 5dx2y2 -0.034069 0.068263 -0.082297 0.142529 0.101378 0.001982 0Rh 5dxy -0.018437 0.073941 -0.005215 -0.009798 0.127360 0.033409 0Rh 1f0 -0.005069 -0.002126 -0.044349 -0.090053 -0.048320 -0.089978 0Rh 1f+1 0.028422 -0.066124 -0.011884 0.019690 0.063120 -0.005928 0Rh 1f-1 -0.054579 0.003525 0.021255 -0.046713 0.126779 -0.092390 0Rh 1f+2 -0.002666 0.028051 -0.020135 -0.082356 -0.149544 -0.063555 0Rh 1f-2 -0.023136 -0.049686 -0.069225 -0.082331 -0.046078 -0.105795 0Rh 1f+3 0.014564 -0.016854 0.066285 0.091818 0.125497 0.055266 0Rh 1f-3 -0.029160 0.030590 -0.016938 -0.029630 -0.023342 -0.023929 1Rh 1s 0.000635 0.000123 0.000311 0.001291 0.003335 -0.000595 1Rh 2s -0.004038 -0.001437 -0.001026 -0.008170 -0.022711 0.003662 1Rh 3s 0.001294 -0.000146 0.001216 0.002668 0.005897 -0.001290 1Rh 4s 0.020924 0.007401 0.005402 0.042670 0.117935 -0.019020 1Rh 5s -0.037251 -0.015471 -0.006165 -0.079571 -0.217637 0.033454 1Rh 6s 0.014243 0.013364 -0.010394 0.049655 0.109233 -0.008992 1Rh 7s -0.004529 0.050061 -0.151712 -0.284840 -0.120772 -0.009607 1Rh 8s -0.073763 -0.134482 0.434372 0.732924 -0.524065 -0.150266 1Rh 1pz 0.000805 -0.000641 0.003882 -0.004838 -0.012539 -0.000272 1Rh 1px 0.000909 0.000873 -0.001105 -0.001962 -0.001499 0.004251 1Rh 1py 0.003518 -0.001915 -0.006248 0.004792 0.004763 -0.013735 1Rh 2pz -0.002935 0.002314 -0.014161 0.017391 0.045453 0.000943 1Rh 2px -0.003292 -0.003264 0.004024 0.007096 0.005454 -0.015295 1Rh 2py -0.012770 0.006992 0.022597 -0.017182 -0.017019 0.049910 1Rh 3pz 0.004255 -0.002359 0.018120 -0.016434 -0.051245 0.000458 1Rh 3px 0.003626 0.005720 -0.004281 -0.007571 -0.007081 0.014822 1Rh 3py 0.014696 -0.009108 -0.024352 0.016421 0.013569 -0.059298 1Rh 4pz -0.000912 -0.007417 0.023447 -0.056811 -0.109752 -0.012338 1Rh 4px 0.008443 -0.000524 -0.014433 -0.019010 -0.005702 0.047140 1Rh 4py 0.030615 -0.010989 -0.060124 0.046714 0.068124 -0.104322 1Rh 5pz 0.026740 0.021047 -0.028074 0.108550 0.184553 0.036226 1Rh 5px -0.014788 0.006186 0.033551 0.030831 -0.009080 -0.083823 1Rh 5py -0.059327 0.012737 0.117968 -0.039024 -0.141343 0.164304 1Rh 6pz -0.326503 -0.188601 -0.376237 0.026060 0.627217 0.124396 1Rh 6px 0.010550 -0.167678 0.022262 0.031915 0.312633 0.014379 1Rh 6py 0.106451 0.275521 -0.449254 -0.859451 0.226224 0.457708 1Rh 1dz2 0.001820 0.000355 -0.000266 0.003040 -0.009378 -0.005999 1Rh 1dxz -0.005003 -0.005769 -0.000844 -0.000583 -0.001586 0.000398 1Rh 1dyz -0.001210 -0.006189 -0.002566 0.001317 -0.002261 -0.014568 1Rh 1dx2y2 0.002101 -0.001585 -0.005828 0.006576 0.005571 -0.005121 1Rh 1dxy -0.001835 0.002906 -0.012499 -0.004111 0.005279 0.005234 1Rh 2dz2 -0.000250 -0.000433 0.000035 -0.001635 -0.001287 -0.001714 1Rh 2dxz -0.001769 -0.001766 -0.000951 -0.001683 -0.001691 -0.000013 1Rh 2dyz -0.002358 -0.002493 -0.000394 -0.001644 0.001457 0.000436 1Rh 2dx2y2 -0.000048 -0.001757 0.001020 0.002774 0.003193 -0.001762 1Rh 2dxy -0.000506 -0.000605 -0.001580 -0.001081 0.003154 0.000451 1Rh 3dz2 -0.003889 0.000949 0.000770 -0.001128 0.032943 0.024598 1Rh 3dxz 0.022201 0.024344 0.006734 0.009475 0.012330 -0.001251 1Rh 3dyz 0.014412 0.029290 0.009148 0.003895 -0.000232 0.040052 1Rh 3dx2y2 -0.005802 0.012390 0.012220 -0.031779 -0.030664 0.022496 1Rh 3dxy 0.007667 -0.005558 0.043112 0.016692 -0.029544 -0.017146 1Rh 4dz2 -0.005903 -0.006570 -0.002198 -0.027315 -0.022119 -0.020542 1Rh 4dxz -0.025762 -0.025080 -0.015483 -0.029010 -0.026879 0.002458 1Rh 4dyz -0.040623 -0.043963 -0.006921 -0.028493 0.023817 0.003058 1Rh 4dx2y2 -0.001163 -0.025645 0.013617 0.048601 0.051156 -0.023322 1Rh 4dxy -0.009710 -0.009866 -0.027102 -0.016065 0.050135 0.007381 1Rh 5dz2 0.038624 0.029137 0.026241 0.138033 -0.021058 -0.029451 1Rh 5dxz 0.027666 0.015623 0.055881 0.114426 0.050138 -0.018206 1Rh 5dyz 0.153094 0.137054 0.020206 0.134704 -0.115711 -0.136060 1Rh 5dx2y2 0.044421 0.068513 -0.089157 -0.144478 -0.091195 0.004640 1Rh 5dxy 0.027992 0.071997 -0.016844 0.010815 -0.122615 0.023590 1Rh 1f0 -0.005491 0.004648 0.047099 -0.085117 -0.048125 0.094169 1Rh 1f+1 0.034690 0.060603 0.017510 0.022185 0.061108 0.002634 1Rh 1f-1 -0.055510 0.001703 -0.008198 -0.043871 0.124596 0.090455 1Rh 1f+2 -0.005003 -0.024442 0.014199 -0.079739 -0.144712 0.070292 1Rh 1f-2 -0.019830 0.052549 0.073755 -0.072777 -0.049844 0.106576 1Rh 1f+3 0.016804 0.011937 -0.063392 0.087252 0.126385 -0.060206 1Rh 1f-3 -0.031557 -0.025790 0.019604 -0.029373 -0.023721 0.025240 2C 1s -0.000131 -0.000114 -0.000649 0.000026 0.003287 -0.000125 2C 2s -0.001631 0.000105 -0.000705 0.000659 0.010067 0.000592 2C 3s 0.021161 0.134323 0.062108 0.017825 0.130649 0.164191 2C 4s 0.006791 -0.711556 -0.293689 -0.095422 -1.312575 -1.027241 2C 5s -0.044070 -0.543308 -0.375448 -0.697902 0.543370 -0.594693 2C 1pz -0.018014 0.044714 0.012791 0.008737 0.037265 0.058909 2C 1px 0.053006 0.045070 0.002605 -0.016520 -0.079850 0.013786 2C 1py 0.014881 0.030696 0.004021 0.000230 0.047762 0.030665 2C 2pz -0.337964 -0.266477 0.082795 -0.154231 -0.805739 -0.058205 2C 2px 0.934471 0.022613 -0.054774 0.382636 -0.407232 -0.748570 2C 2py 0.219732 -0.271626 -0.028644 0.120080 -0.117414 -0.662805 2C 3pz -0.044541 -0.147917 -0.126313 -0.187324 0.021198 -0.170729 2C 3px -0.035228 -0.116793 -0.060237 -0.091910 0.098324 0.009154 2C 3py -0.003351 -0.089980 -0.109243 -0.081760 0.031797 -0.072774 2C 1dz2 -0.005878 -0.032240 -0.021879 -0.019794 -0.013011 -0.059517 2C 1dxz 0.069445 0.016462 -0.012182 0.024296 -0.017077 -0.008955 2C 1dyz -0.037730 -0.026053 -0.030008 -0.024015 -0.007416 0.021321 2C 1dx2y2 -0.056117 0.016063 0.022475 -0.016664 0.011860 0.059216 2C 1dxy 0.056076 -0.004001 -0.009868 0.021186 0.043267 -0.074353 2C 2dz2 0.055271 -0.005315 0.034780 -0.047419 -0.176654 -0.057375 2C 2dxz -0.340824 -0.181548 0.020876 -0.032333 0.199216 -0.028291 2C 2dyz 0.217115 -0.018624 0.015351 0.107752 -0.240863 -0.208031 2C 2dx2y2 0.342614 0.003531 -0.075671 0.147245 0.230464 -0.192205 2C 2dxy -0.224770 -0.077017 0.026472 -0.037006 -0.022917 0.150809 2C 1f0 0.086342 -0.023524 -0.012398 0.011542 -0.001113 -0.129204 2C 1f+1 0.000224 0.007603 0.007227 0.008060 -0.028228 0.005017 2C 1f-1 -0.028303 -0.022376 -0.011357 -0.017694 -0.016917 -0.008745 2C 1f+2 -0.051497 0.006481 0.016683 0.011810 0.100493 0.023641 2C 1f-2 -0.030700 -0.027893 -0.011266 0.008039 0.062324 -0.010515 2C 1f+3 0.006451 0.012764 0.011351 0.011764 0.048091 -0.009225 2C 1f-3 0.051219 0.022958 -0.002356 0.008380 -0.080017 -0.003018 3C 1s 0.000143 0.000029 0.000819 0.001155 0.002723 0.002243 3C 2s 0.001251 -0.000594 0.001599 0.004131 0.008065 0.004278 3C 3s 0.033384 -0.135668 -0.138167 -0.066188 0.037113 -0.063877 3C 4s -0.264513 0.726362 0.782120 0.012364 -0.717749 0.260661 3C 5s -0.008322 0.275017 0.879138 0.023094 0.382496 0.975254 3C 1pz 0.026632 -0.015771 -0.015925 0.040281 0.080507 0.001292 3C 1px -0.044912 -0.015711 -0.040121 -0.033196 -0.069462 -0.053641 3C 1py -0.011670 0.040843 0.064094 0.032634 0.025384 0.025027 3C 2pz 0.209140 0.125823 0.067106 0.102718 -0.028704 -0.184037 3C 2px -0.489974 0.226182 0.946891 -0.026745 0.177755 1.280922 3C 2py 0.012249 -0.145159 -0.263407 0.270918 0.605436 0.336302 3C 3pz -0.036033 0.048435 0.105998 0.025240 -0.080985 0.072581 3C 3px -0.015597 0.040846 0.190197 -0.030313 0.141081 0.180261 3C 3py 0.006765 -0.167222 -0.126621 -0.048208 -0.005199 -0.150455 3C 1dz2 0.010527 -0.002436 -0.029261 -0.009951 -0.044303 -0.085357 3C 1dxz -0.051234 0.032788 0.073513 0.013912 0.034772 0.120006 3C 1dyz -0.018489 -0.031557 0.011380 -0.019873 0.003093 -0.000266 3C 1dx2y2 0.017505 -0.025141 -0.026538 0.001734 0.010145 -0.022314 3C 1dxy 0.019994 -0.010543 0.004140 -0.015472 -0.007280 -0.004131 3C 2dz2 -0.072571 -0.024597 -0.032527 -0.097668 -0.158843 0.065369 3C 2dxz 0.249899 -0.064804 -0.195534 -0.088705 -0.252767 -0.447958 3C 2dyz 0.203410 -0.024753 -0.162938 0.124927 0.221510 -0.024374 3C 2dx2y2 0.002859 -0.039593 0.033124 0.036382 0.184446 0.138864 3C 2dxy -0.116833 -0.040107 -0.189026 -0.035847 -0.177463 -0.241426 3C 1f0 -0.011579 -0.002738 -0.010781 -0.042492 -0.051107 -0.022627 3C 1f+1 -0.047704 0.009971 0.022652 -0.033505 -0.065371 -0.006410 3C 1f-1 0.007637 0.018664 0.027469 0.062593 0.071006 0.067189 3C 1f+2 0.010244 -0.029539 -0.036590 0.006782 0.003211 -0.036424 3C 1f-2 0.023151 -0.028092 -0.020139 -0.000340 0.024181 -0.002228 3C 1f+3 0.028361 -0.003680 -0.037007 -0.001713 -0.031871 -0.048033 3C 1f-3 0.069842 -0.019217 -0.052493 0.043364 0.043956 -0.076390 4C 1s 0.001827 0.000740 0.002526 -0.000051 -0.002309 0.000805 4C 2s 0.005675 0.005305 0.009295 -0.000095 -0.006320 0.005493 4C 3s -0.161112 -0.333552 -0.177753 -0.026145 0.073704 -0.106828 4C 4s 0.731867 1.693183 0.556528 0.106087 0.161855 0.356667 4C 5s 0.304495 1.096916 0.006460 0.218860 -0.035443 -0.109828 4C 1pz -0.020928 -0.009501 -0.042618 -0.012229 0.118833 0.047214 4C 1px 0.015692 0.005175 0.011085 -0.000972 0.043225 -0.034001 4C 1py -0.008106 -0.006544 -0.018983 -0.009755 0.080988 -0.006311 4C 2pz 0.330445 0.087982 0.148194 -0.017204 -0.954651 -0.518661 4C 2px -0.476484 -0.124830 0.112688 0.199458 -0.244225 -0.049033 4C 2py 0.017668 0.021708 0.114103 0.066645 -0.626424 -0.235085 4C 3pz 0.016247 -0.170168 -0.555498 -0.551283 0.326183 -0.638733 4C 3px -0.300303 0.045494 0.114113 0.141752 -0.231627 -0.225298 4C 3py -0.073780 -0.127300 -0.271739 -0.414710 0.062040 -0.596462 4C 1dz2 -0.015455 -0.007678 -0.015352 -0.008308 -0.035917 0.018459 4C 1dxz 0.022750 0.010898 -0.019111 -0.027854 -0.026622 0.047692 4C 1dyz 0.010187 -0.046689 -0.036414 -0.017432 -0.034696 -0.067689 4C 1dx2y2 -0.015892 0.012001 -0.003456 -0.025833 -0.030338 0.099967 4C 1dxy 0.027769 -0.032838 -0.027279 -0.010604 -0.024506 -0.057081 4C 2dz2 -0.074100 0.116450 0.019138 -0.149976 0.307931 0.328541 4C 2dxz -0.097741 -0.188616 0.001288 0.216180 0.520832 -0.127645 4C 2dyz -0.029148 0.222769 0.047636 -0.002109 0.339281 0.258563 4C 2dx2y2 0.146035 0.048114 0.059786 -0.003133 -0.430355 -0.347488 4C 2dxy 0.014775 0.049150 0.037268 0.196943 0.030614 -0.075541 4C 1f0 -0.031469 -0.015156 0.000494 -0.008270 0.018466 -0.002007 4C 1f+1 0.022921 -0.008607 0.005097 -0.013567 0.015302 -0.009990 4C 1f-1 -0.025321 0.003831 0.004123 -0.014176 0.021622 0.040545 4C 1f+2 0.029887 0.022137 -0.011208 0.015151 -0.004855 0.007067 4C 1f-2 0.036532 0.018799 0.000408 0.058716 0.047953 -0.006522 4C 1f+3 0.026711 0.004045 0.006114 -0.025027 -0.018742 -0.006380 4C 1f-3 -0.016496 -0.006719 -0.018893 0.011654 0.024224 0.018119 5C 1s 0.000217 -0.001241 -0.000417 -0.005034 -0.003448 -0.001197 5C 2s 0.000894 -0.006740 -0.004338 -0.018016 -0.013070 -0.005954 5C 3s 0.021748 0.332578 0.215230 0.376912 0.281500 0.013247 5C 4s -0.133363 -1.634576 -1.055646 -1.199418 -0.744241 0.364930 5C 5s -0.195427 -0.790230 -0.829135 -0.020997 -0.401980 0.190840 5C 1pz 0.007233 -0.003624 -0.002876 0.043543 0.055699 0.031085 5C 1px 0.002285 0.045586 -0.017076 0.035961 0.069698 0.037314 5C 1py -0.008221 -0.001193 0.000123 -0.079882 -0.111896 -0.027053 5C 2pz -0.213491 -0.017021 0.101957 -0.356879 -0.348636 -0.074827 5C 2px 0.338812 -0.195366 0.218803 0.111324 -0.536053 0.078733 5C 2py 0.217480 0.049612 -0.174081 0.556739 0.770240 -0.039623 5C 3pz -0.141579 0.121074 0.311433 -0.089907 0.123613 0.707698 5C 3px 0.085410 0.145815 -0.180991 0.284468 -0.483694 -0.034717 5C 3py 0.160452 -0.124556 -0.509772 -0.159599 0.016966 -0.883442 5C 1dz2 0.015782 -0.018220 -0.030388 0.016917 -0.001175 0.043556 5C 1dxz -0.020155 0.014416 0.061122 -0.013948 0.028322 0.104367 5C 1dyz 0.005948 -0.062188 -0.032112 -0.010471 0.040097 -0.078647 5C 1dx2y2 -0.004063 -0.004598 -0.008559 -0.026123 -0.008938 0.023719 5C 1dxy 0.038667 -0.012464 0.003183 0.019359 0.012490 0.003394 5C 2dz2 -0.024353 0.107436 -0.035194 0.087388 0.028764 -0.299205 5C 2dxz 0.138082 0.013070 0.045511 0.276557 0.435170 0.182477 5C 2dyz 0.031716 0.218277 0.412664 0.139814 0.119433 0.367860 5C 2dx2y2 -0.035589 -0.053522 0.385882 -0.264873 -0.389254 0.435602 5C 2dxy -0.156664 0.034200 -0.259710 -0.320197 -0.480890 -0.543921 5C 1f0 0.010474 0.008763 0.014516 0.016488 -0.012144 0.014519 5C 1f+1 0.015941 0.001680 0.002070 0.016456 -0.022258 -0.012496 5C 1f-1 -0.003421 -0.010996 0.036909 0.028059 0.036245 0.045915 5C 1f+2 -0.031103 0.011861 0.004654 -0.028887 0.029892 0.052806 5C 1f-2 -0.002738 -0.019947 -0.013042 -0.021263 -0.039340 -0.054422 5C 1f+3 -0.009090 0.004831 -0.004715 0.024261 0.027513 -0.041567 5C 1f-3 -0.019701 -0.007825 -0.000579 -0.005013 -0.036500 0.018218 6C 1s -0.000316 -0.001345 -0.000326 0.004853 0.003447 -0.001497 6C 2s -0.001479 -0.007102 -0.003906 0.017158 0.013250 -0.007098 6C 3s 0.009273 0.342728 0.202010 -0.353803 -0.300231 0.038454 6C 4s -0.018853 -1.669787 -0.989507 1.102291 0.857770 0.279453 6C 5s 0.128421 -0.809574 -0.793356 -0.030098 0.464081 0.183009 6C 1pz 0.007288 0.001811 0.002767 0.042500 0.053689 -0.033480 6C 1px -0.002816 -0.045703 0.016147 0.035235 0.065479 -0.039014 6C 1py -0.008299 0.003866 0.000428 -0.079425 -0.108220 0.031407 6C 2pz -0.206514 0.050752 -0.105000 -0.353768 -0.332770 0.091596 6C 2px 0.355644 0.136878 -0.201177 0.081966 -0.500923 -0.083296 6C 2py 0.209189 -0.085127 0.174465 0.566141 0.736321 0.013134 6C 3pz -0.147324 -0.091102 -0.331081 -0.136193 0.146021 -0.700412 6C 3px 0.063477 -0.161823 0.149877 0.264628 -0.470240 0.026219 6C 3py 0.158925 0.102017 0.553404 -0.093159 -0.020359 0.878780 6C 1dz2 -0.016122 -0.015290 -0.028992 -0.016434 0.004267 0.043884 6C 1dxz 0.021237 0.011270 0.060093 0.020133 -0.027673 0.102413 6C 1dyz -0.012297 -0.061404 -0.033127 0.002950 -0.036723 -0.079908 6C 1dx2y2 0.004171 -0.006290 -0.006376 0.026046 0.011090 0.020173 6C 1dxy -0.039463 -0.006936 0.001974 -0.018816 -0.010612 0.003396 6C 2dz2 0.033560 0.104244 -0.027208 -0.099307 -0.035555 -0.290349 6C 2dxz -0.136764 0.034103 0.029320 -0.270412 -0.424121 0.193651 6C 2dyz -0.013418 0.229654 0.390870 -0.098667 -0.141471 0.374997 6C 2dx2y2 0.021468 -0.057814 0.371159 0.301461 0.360666 0.417911 6C 2dxy 0.161043 0.001864 -0.239551 0.291587 0.465528 -0.546076 6C 1f0 0.010136 -0.010252 -0.015758 0.015071 -0.010638 -0.015876 6C 1f+1 0.016190 -0.003279 -0.003870 0.017086 -0.020669 0.013075 6C 1f-1 -0.000813 0.009910 -0.036434 0.025948 0.034538 -0.045346 6C 1f+2 -0.032907 -0.007412 -0.002307 -0.030917 0.028632 -0.052600 6C 1f-2 -0.000507 0.020326 0.011607 -0.018727 -0.038337 0.053942 6C 1f+3 -0.009450 -0.004477 0.002320 0.027064 0.027176 0.038810 6C 1f-3 -0.017929 0.010449 -0.001904 -0.004886 -0.037290 -0.017821 7C 1s -0.001820 0.000791 0.002802 0.000252 0.002021 0.000727 7C 2s -0.005418 0.005408 0.010158 0.001048 0.005237 0.005324 7C 3s 0.132866 -0.339141 -0.195563 0.000267 -0.059351 -0.104494 7C 4s -0.579735 1.722091 0.596262 -0.002447 -0.183644 0.354781 7C 5s -0.200779 1.117826 0.041979 -0.180172 0.032445 -0.117384 7C 1pz -0.020800 0.010635 0.053087 -0.011872 0.111569 -0.051261 7C 1px 0.013270 -0.008782 -0.006356 0.001629 0.043089 0.033304 7C 1py -0.008077 0.006418 0.026667 -0.007578 0.077756 0.003632 7C 2pz 0.321011 -0.111343 -0.227427 -0.002866 -0.922814 0.561272 7C 2px -0.440189 0.198424 -0.164910 0.184077 -0.227820 0.044891 7C 2py 0.021768 -0.009000 -0.177687 0.065288 -0.610393 0.260114 7C 3pz 0.018118 0.205827 0.568448 -0.488905 0.269099 0.648309 7C 3px -0.287150 0.003274 -0.154553 0.136896 -0.198149 0.224656 7C 3py -0.056897 0.163999 0.276070 -0.373712 0.049798 0.608308 7C 1dz2 0.016160 -0.010046 -0.012907 0.008027 0.036789 0.016882 7C 1dxz -0.020645 0.013975 -0.020344 0.028408 0.029398 0.046391 7C 1dyz -0.014866 -0.046578 -0.032673 0.010654 0.037155 -0.070461 7C 1dx2y2 0.016251 0.008693 -0.003158 0.030397 0.028847 0.098623 7C 1dxy -0.028257 -0.028857 -0.025617 0.006150 0.026474 -0.057307 7C 2dz2 0.079154 0.111828 -0.020907 0.168494 -0.312935 0.328581 7C 2dxz 0.083012 -0.189571 -0.029431 -0.225833 -0.493155 -0.089447 7C 2dyz 0.050689 0.219684 0.021861 0.025615 -0.342888 0.273997 7C 2dx2y2 -0.143737 0.049483 0.102877 -0.007700 0.425070 -0.364312 7C 2dxy -0.008977 0.052547 0.054199 -0.194736 -0.017769 -0.063002 7C 1f0 -0.029221 0.018657 0.000899 -0.008978 0.017131 0.000263 7C 1f+1 0.022964 0.006789 -0.001866 -0.012677 0.014653 0.010809 7C 1f-1 -0.025103 -0.000573 -0.001274 -0.016949 0.024094 -0.040247 7C 1f+2 0.025746 -0.024794 0.009545 0.015171 -0.007656 -0.005685 7C 1f-2 0.032095 -0.024545 -0.000416 0.059165 0.045164 0.002600 7C 1f+3 0.027112 -0.007322 -0.006023 -0.024490 -0.018320 0.006983 7C 1f-3 -0.015934 0.008397 0.019391 0.011100 0.024836 -0.018589 8C 1s -0.000177 0.000050 0.000869 -0.001063 -0.002652 0.002294 8C 2s -0.001400 -0.000421 0.001734 -0.003994 -0.007842 0.004418 8C 3s -0.045045 -0.132584 -0.136189 0.051738 -0.022819 -0.069283 8C 4s 0.326169 0.695552 0.764442 0.069752 0.620463 0.275412 8C 5s 0.020657 0.268124 0.910453 0.058927 -0.434614 0.971062 8C 1pz 0.027583 0.011508 0.017098 0.041432 0.075534 -0.002432 8C 1px -0.043002 0.021951 0.033767 -0.029064 -0.072430 0.055647 8C 1py -0.015112 -0.040373 -0.063885 0.027573 0.028313 -0.027263 8C 2pz 0.191433 -0.148178 -0.072204 0.094758 -0.011431 0.175551 8C 2px -0.493645 -0.176531 -0.936471 -0.112393 0.176225 -1.257211 8C 2py 0.020883 0.141810 0.245528 0.281059 0.539654 -0.337557 8C 3pz -0.036934 -0.046447 -0.114976 0.015174 -0.071662 -0.073770 8C 3px -0.014236 -0.036302 -0.185336 -0.043025 0.149946 -0.172396 8C 3py 0.022518 0.163871 0.135855 -0.027310 -0.018116 0.152158 8C 1dz2 -0.009975 -0.001617 -0.028580 0.005989 0.041730 -0.083991 8C 1dxz 0.052733 0.027312 0.073638 -0.006734 -0.033705 0.120119 8C 1dyz 0.014814 -0.032860 0.011512 0.018175 -0.001935 -0.001258 8C 1dx2y2 -0.019732 -0.023546 -0.025565 -0.004839 -0.007503 -0.024079 8C 1dxy -0.021078 -0.008622 0.003544 0.015590 0.008136 -0.007449 8C 2dz2 0.065300 -0.037097 -0.026512 0.097171 0.162930 0.052591 8C 2dxz -0.249656 -0.037264 -0.204622 0.071160 0.231840 -0.448249 8C 2dyz -0.200931 -0.002999 -0.167003 -0.129806 -0.206621 -0.024163 8C 2dx2y2 -0.007359 -0.036467 0.023359 -0.035886 -0.184542 0.146360 8C 2dxy 0.115937 -0.053224 -0.170358 0.017953 0.183205 -0.234870 8C 1f0 -0.011675 0.005083 0.011627 -0.041436 -0.048866 0.023626 8C 1f+1 -0.046930 -0.003338 -0.024803 -0.033758 -0.062837 0.008266 8C 1f-1 0.005591 -0.021534 -0.028859 0.058599 0.067136 -0.069296 8C 1f+2 0.012756 0.027731 0.034713 0.011224 0.000868 0.035594 8C 1f-2 0.025069 0.025703 0.020614 0.000769 0.020813 0.004166 8C 1f+3 0.027072 0.000531 0.038761 0.000479 -0.029017 0.044928 8C 1f-3 0.070868 0.010717 0.055073 0.048467 0.044223 0.072111 9C 1s 0.000176 -0.000081 -0.000897 -0.000056 -0.003081 0.000024 9C 2s 0.001763 0.000114 -0.001494 -0.000585 -0.009613 0.001108 9C 3s -0.009111 0.137040 0.052075 -0.003659 -0.134058 0.170837 9C 4s -0.073896 -0.721819 -0.187855 0.011505 1.312281 -1.088834 9C 5s 0.001056 -0.591320 -0.424064 0.628915 -0.499069 -0.597242 9C 1pz -0.021783 -0.043683 -0.010819 0.003658 0.039763 -0.061294 9C 1px 0.047717 -0.048370 -0.009250 -0.018073 -0.077222 -0.009068 9C 1py 0.011482 -0.032487 0.000431 -0.002290 0.045134 -0.032657 9C 2pz -0.298358 0.310647 -0.137868 -0.151616 -0.761403 0.095274 9C 2px 0.892067 -0.123857 -0.011206 0.429156 -0.451220 0.739015 9C 2py 0.241241 0.248949 0.016387 0.159895 -0.139304 0.663993 9C 3pz -0.027942 0.164585 0.128862 -0.168331 0.013297 0.177826 9C 3px -0.026916 0.116243 0.076542 -0.086083 0.088239 -0.016833 9C 3py -0.002207 0.098477 0.107801 -0.071271 0.021549 0.074557 9C 1dz2 0.003747 -0.033314 -0.021064 0.015212 0.015184 -0.060316 9C 1dxz -0.066165 0.024082 -0.008654 -0.026917 0.020742 -0.011307 9C 1dyz 0.034007 -0.029813 -0.030614 0.022385 0.009279 0.019416 9C 1dx2y2 0.055089 0.009733 0.020555 0.021866 -0.015028 0.060327 9C 1dxy -0.052408 0.002179 -0.011732 -0.024898 -0.039564 -0.070470 9C 2dz2 -0.060376 -0.006115 0.045077 0.046113 0.170755 -0.067877 9C 2dxz 0.318758 -0.213017 -0.002382 0.036741 -0.201998 -0.010484 9C 2dyz -0.209058 0.003790 0.041780 -0.118880 0.237818 -0.215713 9C 2dx2y2 -0.327298 0.048915 -0.093251 -0.166466 -0.203316 -0.181980 9C 2dxy 0.199355 -0.095532 0.021294 0.037775 0.015898 0.144999 9C 1f0 0.084966 0.015314 0.010996 0.019279 -0.006206 0.128258 9C 1f+1 0.002349 -0.008320 -0.010607 0.008054 -0.026974 -0.001786 9C 1f-1 -0.024424 0.024825 0.010367 -0.016152 -0.017270 0.010559 9C 1f+2 -0.048999 -0.003249 -0.009629 0.008824 0.099429 -0.027825 9C 1f-2 -0.028856 0.031012 0.016127 0.009946 0.061729 0.009012 9C 1f+3 0.003086 -0.012121 -0.006888 0.010487 0.049830 0.007086 9C 1f-3 0.047920 -0.028537 -0.005595 0.009056 -0.077509 0.006051 10H 1s 0.044739 0.003208 0.001800 -0.014999 -0.142552 -0.037033 10H 2s -1.122333 -0.073212 0.179601 -0.282686 0.556933 0.734403 10H 3s 0.248349 0.086518 -0.060476 0.095649 -0.282396 -0.137341 10H 1pz -0.214231 0.013901 0.030214 -0.093760 0.107989 0.173961 10H 1px 0.349147 0.060548 -0.049617 0.053438 -0.214999 -0.212540 10H 1py -0.087562 0.041483 0.011526 -0.035172 -0.032593 0.103220 11H 1s -0.008092 -0.032949 -0.009875 -0.001548 0.101183 -0.010750 11H 2s 0.300854 0.290291 0.122505 0.114654 -0.583493 0.175263 11H 3s -0.124428 -0.072325 -0.043013 -0.018064 0.117978 0.016669 11H 1pz 0.086807 0.067279 0.014563 0.004073 -0.133994 0.037089 11H 1px 0.030963 0.062924 0.017589 0.030398 -0.053520 0.107995 11H 1py -0.105217 -0.067289 -0.039283 -0.024876 0.169538 0.043371 12H 1s -0.031113 -0.017690 -0.006619 -0.000159 -0.001804 0.021006 12H 2s 0.755493 0.118091 0.015241 0.311526 0.251209 -0.604086 12H 3s -0.175505 -0.024605 -0.035501 -0.022439 -0.088563 0.138302 12H 1pz -0.069798 -0.033780 -0.022043 0.004088 0.050118 -0.013326 12H 1px 0.069846 -0.009975 -0.014303 0.046340 0.184270 -0.038967 12H 1py 0.275528 0.042720 -0.001998 0.093177 0.051527 -0.230086 13H 1s -0.050843 0.022146 0.007227 -0.069536 -0.139103 -0.024466 13H 2s 0.729899 -0.261474 -0.654162 0.138538 0.146948 -0.958496 13H 3s -0.193364 0.082461 -0.010994 -0.019985 -0.236203 0.050188 13H 1pz 0.170844 -0.066837 -0.214897 -0.007066 -0.052612 -0.280438 13H 1px -0.197344 0.042345 0.069931 -0.080932 -0.188045 0.133464 13H 1py -0.073040 0.028747 0.155935 -0.046250 0.034800 0.213298 14H 1s 0.019977 0.002206 0.010415 -0.034613 0.003390 0.030831 14H 2s -0.340163 0.029376 0.429643 0.121146 0.330533 0.784921 14H 3s 0.054586 0.015230 -0.088380 -0.037639 -0.096521 -0.140521 14H 1pz -0.102994 0.007803 0.109041 -0.061545 -0.052250 0.223458 14H 1px -0.083774 0.010485 0.139481 0.077643 0.213641 0.254588 14H 1py -0.038236 -0.010432 -0.009474 -0.028642 -0.079442 -0.089768 15H 1s 0.020108 0.010088 0.032796 0.085756 0.138275 0.021576 15H 2s -0.229821 -0.163597 -0.016780 -0.409202 -0.514038 -0.141622 15H 3s 0.069846 0.080252 -0.087540 0.154977 0.120513 -0.074154 15H 1pz 0.063806 0.055768 -0.002990 0.144272 0.167511 0.003437 15H 1px 0.032414 -0.018854 -0.039883 0.014718 0.080097 -0.044620 15H 1py 0.068524 0.041656 -0.003011 0.096164 0.112254 0.037074 16H 1s 0.016306 -0.019699 0.012144 -0.055406 -0.013072 -0.018282 16H 2s 0.769036 -0.870472 -1.326066 1.002092 -0.628015 0.612827 16H 3s 0.094591 -0.121497 -0.157858 0.079273 -0.174159 0.034730 16H 1pz 0.497221 -0.574319 -0.717918 0.468237 -0.369583 0.314549 16H 1px -0.023992 0.039193 0.121163 -0.027675 0.112284 -0.050141 16H 1py 0.171418 -0.189816 -0.431024 0.310176 -0.177668 0.187893 17H 1s -0.034615 0.035119 0.015300 -0.055877 -0.023377 -0.014722 17H 2s -1.109153 1.506786 -0.754940 0.997582 -0.346729 -0.054468 17H 3s -0.174010 0.209729 -0.066043 0.068504 -0.183725 -0.009525 17H 1pz 0.402008 -0.535933 0.177700 -0.272515 0.103779 0.054553 17H 1px 0.513695 -0.670199 0.272014 -0.292376 0.214747 0.047383 17H 1py -0.443603 0.587014 -0.334562 0.368664 -0.149913 0.008282 18H 1s 0.041959 0.032214 0.018050 0.057089 0.020051 -0.019171 18H 2s 1.277212 1.382385 -0.669218 -0.975606 0.400690 -0.016503 18H 3s 0.199133 0.188867 -0.043229 -0.063353 0.185791 -0.010847 18H 1pz 0.474603 0.503086 -0.155510 -0.273761 0.120659 -0.043967 18H 1px 0.591675 0.612484 -0.233857 -0.282411 0.232375 -0.039599 18H 1py -0.500703 -0.526477 0.295664 0.351085 -0.167376 -0.021129 19H 1s -0.018404 -0.018492 0.012077 0.056085 0.009646 -0.022602 19H 2s -0.828398 -0.731539 -1.317747 -1.048417 0.724871 0.642228 19H 3s -0.104177 -0.104918 -0.153456 -0.086240 0.182571 0.032520 19H 1pz 0.536349 0.486595 0.705748 0.488097 -0.413232 -0.320561 19H 1px -0.025975 -0.034575 -0.124785 -0.035633 0.122970 0.050833 19H 1py 0.189429 0.162817 0.440135 0.329950 -0.215906 -0.203308 20H 1s -0.018832 0.015461 0.031447 -0.084016 -0.134191 0.025978 20H 2s 0.208477 -0.193160 -0.019673 0.393880 0.494252 -0.154732 20H 3s -0.058339 0.089034 -0.089176 -0.155168 -0.112547 -0.069280 20H 1pz 0.057067 -0.064804 0.003975 0.141252 0.162747 -0.008771 20H 1px 0.033255 0.016673 0.043569 0.019814 0.079416 0.040064 20H 1py 0.062756 -0.049350 0.002814 0.092499 0.108336 -0.040123 21H 1s -0.019769 0.003054 0.004922 0.035857 -0.007496 0.030995 21H 2s 0.331088 -0.005224 0.451228 -0.083899 -0.290019 0.762846 21H 3s -0.052568 0.019832 -0.098555 0.032176 0.087738 -0.140238 21H 1pz -0.101026 0.004904 -0.114469 -0.073114 -0.056261 -0.214014 21H 1px -0.080386 -0.002987 -0.143205 0.066735 0.199118 -0.249961 21H 1py -0.036565 0.014311 0.003873 -0.024406 -0.077879 0.089131 22H 1s 0.052123 0.014615 0.011573 0.070675 0.135685 -0.028203 22H 2s -0.737070 -0.179524 -0.667302 -0.196690 -0.147974 -0.943454 22H 3s 0.199528 0.061003 -0.000677 0.024700 0.239008 0.050150 22H 1pz 0.171287 0.049514 0.214116 0.010696 -0.050857 0.275217 22H 1px -0.198786 -0.018905 -0.080558 -0.088136 -0.186545 -0.129808 22H 1py -0.073500 -0.019623 -0.150666 -0.058990 0.037995 -0.210930 23H 1s 0.028675 -0.018778 -0.006122 0.000355 -0.000111 0.021203 23H 2s -0.709695 0.197230 0.008689 -0.336756 -0.212888 -0.575701 23H 3s 0.169488 -0.038420 -0.028032 0.029136 0.081615 0.135791 23H 1pz -0.065801 0.037167 0.024320 0.005407 0.048549 0.009842 23H 1px 0.062000 -0.000767 0.032543 0.048889 0.172728 0.027248 23H 1py 0.259868 -0.070502 -0.000897 0.103597 0.040608 0.221680 24H 1s 0.005703 -0.033956 -0.019906 -0.000762 -0.094465 -0.007675 24H 2s -0.272182 0.322984 0.185848 -0.100524 0.561730 0.154484 24H 3s 0.114138 -0.082646 -0.059185 0.018450 -0.112703 0.023091 24H 1pz 0.079233 -0.073348 -0.028232 0.001454 -0.132310 -0.031997 24H 1px 0.026474 -0.071780 -0.024017 0.025842 -0.052546 -0.104162 24H 1py -0.097577 0.074017 0.060150 -0.023151 0.162206 -0.050677 25H 1s -0.043734 0.004786 0.013893 0.012871 0.139210 -0.042743 25H 2s 1.073023 -0.187889 0.108425 0.340479 -0.601513 0.749411 25H 3s -0.232971 0.109927 -0.027868 -0.105296 0.287439 -0.150068 25H 1pz -0.208741 0.013057 -0.016302 -0.107620 0.119028 -0.175533 25H 1px 0.331795 -0.090987 0.022937 0.067990 -0.223463 0.221560 25H 1py -0.083277 -0.031277 -0.015044 -0.042556 -0.024011 -0.095757 26O 1s 0.001437 -0.000847 0.000688 -0.000836 -0.001519 -0.002246 26O 2s 0.003829 -0.001923 0.002478 -0.003649 -0.004900 -0.005448 26O 3s -0.006292 0.002188 -0.011547 0.046433 0.009230 -0.003948 26O 4s -0.104760 0.113000 -0.015923 -0.225884 0.108946 0.233619 26O 5s 0.223131 -0.778619 -0.119612 -0.127059 0.650987 0.370163 26O 1pz 0.031897 -0.027862 0.034081 -0.093082 -0.176248 -0.121914 26O 1px 0.021710 -0.014009 0.011171 -0.003024 0.049261 -0.094950 26O 1py -0.046228 0.084412 -0.044024 0.013991 -0.069008 0.213828 26O 2pz -0.048509 0.054404 -0.048159 0.104532 0.120099 0.201836 26O 2px 0.014982 0.061383 0.029864 0.098798 -0.237126 0.021697 26O 2py 0.083502 -0.101699 0.074330 -0.006000 -0.027519 -0.358523 26O 3pz 0.022267 -0.023775 0.125941 -0.040167 -0.192285 -0.131307 26O 3px -0.162573 0.289581 0.155152 0.095832 0.063193 -0.187526 26O 3py -0.119249 0.192858 0.101244 0.204246 -0.024008 0.087149 26O 1dz2 -0.002315 0.001202 0.001071 -0.001631 0.007652 -0.003986 26O 1dxz -0.002255 -0.001140 -0.000835 -0.001418 0.002780 -0.002212 26O 1dyz -0.002296 -0.002007 -0.000153 -0.000608 0.004775 -0.003194 26O 1dx2y2 0.006413 -0.003190 -0.001917 -0.001680 -0.006866 -0.001727 26O 1dxy 0.001833 -0.002211 -0.002846 0.000858 -0.001555 0.002719 26O 2dz2 -0.008572 0.009635 -0.001329 0.020488 0.043676 -0.067278 26O 2dxz 0.036558 -0.008826 -0.009035 0.027048 0.142825 -0.020766 26O 2dyz 0.021266 -0.058709 -0.015184 0.050832 0.077419 -0.049225 26O 2dx2y2 0.033442 -0.060802 -0.023435 -0.057848 -0.083868 0.006979 26O 2dxy 0.046596 -0.051524 -0.041662 0.018998 0.030364 0.028385 26O 1f0 0.000456 0.000135 0.001151 0.006644 0.006654 -0.001219 26O 1f+1 0.001449 -0.004085 -0.003766 0.000992 0.002432 -0.002743 26O 1f-1 0.001185 0.001916 -0.001076 -0.000161 -0.002426 0.005657 26O 1f+2 -0.000930 0.000622 -0.000122 -0.001664 0.001906 0.001673 26O 1f-2 0.002823 -0.001576 -0.001556 -0.003121 -0.007372 -0.000733 26O 1f+3 0.000931 -0.002815 -0.004241 0.000946 0.003512 -0.006354 26O 1f-3 -0.001767 -0.003457 -0.001006 -0.005705 0.006441 0.006012 27O 1s -0.000624 0.001080 -0.000879 -0.000592 -0.003018 0.001356 27O 2s -0.001648 0.003708 -0.005590 -0.002202 -0.010810 0.000580 27O 3s 0.002261 -0.027518 0.080876 0.005224 0.062721 0.072143 27O 4s 0.056548 -0.022021 -0.413692 0.021338 -0.120646 -0.544548 27O 5s -0.405183 1.034229 0.279191 0.519566 1.405270 -0.201420 27O 1pz 0.019082 -0.061537 -0.072727 -0.012429 -0.210911 -0.319484 27O 1px 0.006988 -0.034744 0.016771 0.003477 0.012462 -0.002278 27O 1py 0.054597 -0.044296 -0.000263 0.151185 0.109284 -0.104628 27O 2pz -0.035573 0.087536 0.088377 -0.020830 0.226898 0.382433 27O 2px -0.013359 -0.042831 0.104847 -0.149642 -0.209773 0.237056 27O 2py -0.062974 0.085773 0.018624 -0.099798 0.002465 0.173257 27O 3pz -0.011185 0.056359 -0.155208 0.136821 -0.178374 -0.304158 27O 3px 0.203464 -0.437911 -0.183941 0.164786 -0.299311 0.260410 27O 3py 0.062014 -0.031085 0.116894 0.027595 0.035641 0.028195 27O 1dz2 0.002684 0.000217 -0.006338 0.001858 -0.001062 -0.002355 27O 1dxz 0.003439 -0.002049 -0.001924 0.004250 -0.000375 -0.001268 27O 1dyz -0.000705 -0.000832 -0.001511 -0.006650 -0.005649 -0.004902 27O 1dx2y2 -0.003359 0.000958 0.000767 -0.008501 -0.006698 -0.003018 27O 1dxy -0.001229 0.000859 -0.003432 -0.001961 -0.004448 -0.004957 27O 2dz2 0.048183 -0.048218 -0.078678 0.003145 -0.049371 0.006682 27O 2dxz 0.009864 -0.008554 0.008254 0.042860 0.120272 0.128931 27O 2dyz 0.003714 -0.041924 -0.052068 -0.059816 -0.104756 -0.106630 27O 2dx2y2 -0.037164 0.053801 -0.025133 -0.080711 -0.055635 -0.115458 27O 2dxy 0.035381 -0.051991 -0.068012 -0.105208 -0.193959 -0.106529 27O 1f0 0.001030 -0.000835 0.001216 0.002739 0.004411 0.003074 27O 1f+1 0.000557 0.003907 -0.002563 0.005869 0.013388 -0.005776 27O 1f-1 -0.000792 0.000266 0.002646 -0.000218 -0.000595 0.005780 27O 1f+2 0.000012 0.002486 0.007417 0.003462 0.005296 0.010395 27O 1f-2 0.001589 -0.001030 -0.004561 0.003517 0.001311 -0.003033 27O 1f+3 -0.002596 0.005510 -0.002616 0.001975 0.001596 -0.002943 27O 1f-3 -0.003354 -0.001554 -0.001865 -0.006044 -0.003995 -0.000717 28O 1s 0.000816 0.001691 -0.002825 -0.003033 -0.004012 0.002409 28O 2s 0.004137 0.004683 -0.010074 -0.009079 -0.012385 0.005715 28O 3s -0.034500 -0.007936 0.069470 0.034415 0.038398 -0.002997 28O 4s 0.145898 -0.036955 -0.100561 0.133060 0.230309 -0.186845 28O 5s -1.290464 -0.913762 -0.070859 0.052902 0.545462 0.807952 28O 1pz 0.016133 -0.002727 0.043004 -0.011394 -0.016353 -0.008677 28O 1px 0.030902 -0.037310 -0.012876 -0.008777 -0.001572 -0.037120 28O 1py 0.034872 0.030055 -0.050949 0.138943 0.063984 -0.003315 28O 2pz 0.064997 0.066154 -0.035999 -0.019051 -0.200105 -0.069189 28O 2px -0.098706 -0.057134 -0.007531 0.082819 0.181969 0.010570 28O 2py -0.014082 -0.034091 0.070756 -0.177401 -0.148425 -0.038189 28O 3pz 0.435821 0.325486 -0.088334 -0.243276 0.224665 0.090964 28O 3px -0.398234 -0.434966 0.004830 0.124341 -0.015991 0.105729 28O 3py 0.052055 0.021585 -0.090306 0.151259 0.235441 0.079763 28O 1dz2 -0.001214 0.003762 0.000916 -0.002379 0.001882 0.009477 28O 1dxz 0.002743 0.002111 -0.003134 0.000245 0.003728 0.003095 28O 1dyz -0.002418 0.000590 0.000658 0.000800 0.010821 0.002100 28O 1dx2y2 -0.003734 -0.001695 0.000551 0.000064 -0.004681 0.001696 28O 1dxy -0.001668 -0.001542 -0.000232 -0.001943 0.001484 -0.000008 28O 2dz2 -0.121427 0.028804 -0.006169 -0.064337 0.042406 0.179909 28O 2dxz 0.112865 0.110433 -0.020392 -0.018947 -0.022423 0.022660 28O 2dyz -0.096944 -0.035456 -0.000743 -0.074949 0.085016 0.051297 28O 2dx2y2 -0.009898 -0.063710 -0.004498 0.043655 -0.048844 -0.016385 28O 2dxy 0.042208 -0.007922 -0.010370 0.028398 -0.005825 -0.041314 28O 1f0 -0.004789 -0.003163 -0.002058 0.002926 0.001004 -0.001315 28O 1f+1 -0.003683 -0.001655 -0.001511 0.000089 0.007534 0.004714 28O 1f-1 -0.000109 -0.001528 -0.000642 -0.000409 -0.007342 -0.006207 28O 1f+2 0.004627 0.006204 0.002978 0.000421 -0.003791 0.002664 28O 1f-2 -0.000778 -0.001418 0.000320 -0.002293 0.000707 0.000800 28O 1f+3 0.001309 0.003114 0.000768 0.000457 -0.005423 0.001915 28O 1f-3 -0.000304 -0.002927 0.001110 -0.003553 -0.002829 -0.002280 29O 1s -0.005046 0.006621 -0.011139 0.002971 -0.012347 0.000119 29O 2s -0.014243 0.018012 -0.024636 -0.001109 -0.034700 -0.002804 29O 3s 0.026757 -0.013778 -0.143480 0.264274 0.059059 0.092064 29O 4s 0.122147 -0.206734 0.867597 -0.939079 0.305832 -0.300129 29O 5s 0.162721 -0.398437 1.108035 -0.880913 0.572996 -0.204472 29O 1pz 0.389133 -0.469405 -0.208705 0.027963 -0.126666 0.124488 29O 1px 0.200586 -0.256093 0.096742 0.066300 0.243083 0.050078 29O 1py -0.122346 0.196231 -0.509527 0.591508 -0.132867 0.164295 29O 2pz 0.226093 -0.291569 -0.123652 0.133406 0.010206 0.131496 29O 2px 0.084613 -0.133919 0.144653 -0.414381 -0.206228 -0.065620 29O 2py -0.004744 -0.015133 0.237090 -0.420886 -0.073340 -0.141103 29O 3pz 0.714179 -0.885483 -0.391113 0.091493 -0.315477 0.273821 29O 3px 0.356900 -0.425246 0.147266 -0.115572 0.309286 0.045614 29O 3py -0.159121 0.297429 -0.705078 0.837329 -0.290650 0.212426 29O 1dz2 0.012396 -0.014627 -0.014482 0.008204 -0.008201 0.006031 29O 1dxz -0.015557 0.019367 -0.002588 0.005410 0.000667 -0.003246 29O 1dyz 0.017561 -0.021788 -0.008434 0.004783 -0.002309 0.007397 29O 1dx2y2 -0.003553 0.003678 0.004066 -0.000162 0.001893 -0.002125 29O 1dxy 0.010759 -0.014966 0.009096 -0.012424 0.004076 -0.001129 29O 2dz2 -0.126858 0.143253 0.396819 -0.258828 0.194514 -0.166986 29O 2dxz 0.252089 -0.326116 0.181327 -0.148340 0.162009 -0.002200 29O 2dyz -0.445836 0.555867 0.111021 0.016826 0.054695 -0.123566 29O 2dx2y2 0.049694 -0.074400 0.016896 -0.044276 -0.059805 -0.002779 29O 2dxy -0.201854 0.263853 -0.072953 0.100714 -0.050404 -0.044906 29O 1f0 -0.003182 0.007379 -0.037895 0.032676 -0.020632 0.010441 29O 1f+1 0.008407 -0.011040 0.011687 -0.011528 0.006597 -0.001914 29O 1f-1 0.018358 -0.019106 -0.052377 0.042370 -0.023066 0.020990 29O 1f+2 -0.008724 0.009700 0.018511 -0.012299 0.012572 -0.007559 29O 1f-2 -0.041849 0.055196 -0.018115 0.029264 -0.009218 -0.003631 29O 1f+3 0.014148 -0.017934 0.009770 -0.011914 0.004830 0.000276 29O 1f-3 0.019603 -0.025075 0.004916 -0.005670 0.005172 0.003467 30O 1s -0.000937 0.000371 -0.002024 -0.002664 -0.006373 -0.002657 30O 2s -0.003953 0.001017 -0.003306 -0.008721 -0.018963 -0.003038 30O 3s 0.023376 -0.008731 -0.034754 0.027891 0.058157 -0.076777 30O 4s -0.023219 -0.018626 0.326148 0.107299 0.341646 0.699313 30O 5s 0.736711 0.639894 -0.025613 1.314771 0.341532 -1.205429 30O 1pz 0.010857 -0.047895 0.117745 0.053904 -0.004082 0.032557 30O 1px -0.004059 0.009084 0.095756 0.008405 0.051146 0.110279 30O 1py 0.007198 -0.012080 0.080109 0.026869 -0.010260 0.011631 30O 2pz -0.075510 0.036840 -0.214732 -0.230470 -0.170439 -0.082100 30O 2px 0.069614 0.042650 0.009790 0.144368 0.135254 0.062624 30O 2py 0.061643 0.038446 -0.097782 0.136407 0.228276 -0.000546 30O 3pz -0.090745 -0.229734 0.034037 -0.022779 0.031560 0.136416 30O 3px 0.281034 0.267176 0.291190 0.420121 0.130958 -0.104119 30O 3py 0.183243 0.189779 0.108786 0.123649 -0.229300 -0.139011 30O 1dz2 -0.001717 -0.000405 0.002731 0.000016 -0.001760 0.006985 30O 1dxz -0.003024 -0.002772 0.000933 0.003289 0.007066 0.004932 30O 1dyz -0.004768 -0.003148 0.005894 -0.008799 -0.005784 0.007684 30O 1dx2y2 0.001915 0.002468 0.007130 -0.001275 -0.005347 0.007065 30O 1dxy 0.000951 0.002862 -0.001678 -0.005712 -0.007734 0.000211 30O 2dz2 -0.023697 -0.021968 -0.018113 -0.000979 -0.035062 -0.010539 30O 2dxz -0.042177 -0.050923 -0.048649 -0.012302 0.026502 0.029881 30O 2dyz -0.087688 -0.077314 0.077553 -0.133556 -0.020400 0.170979 30O 2dx2y2 -0.013745 0.041259 0.190841 -0.019106 0.029724 0.222772 30O 2dxy 0.055725 0.035430 0.027885 0.012691 0.003440 0.034540 30O 1f0 0.002518 0.001490 0.000400 0.010780 0.014123 -0.001964 30O 1f+1 -0.000724 0.002029 0.002272 -0.002121 0.005193 -0.001605 30O 1f-1 0.001973 -0.000901 -0.001065 0.000450 -0.000265 -0.005242 30O 1f+2 0.000065 -0.003749 -0.006409 0.000663 -0.000792 -0.010895 30O 1f-2 -0.002631 -0.001928 -0.005461 -0.002581 -0.005807 -0.008533 30O 1f+3 -0.000037 -0.001901 -0.000007 -0.002028 -0.002273 0.000703 30O 1f-3 -0.004300 -0.002956 -0.002335 -0.006608 0.002349 -0.001393 31O 1s 0.000960 0.000229 -0.001709 0.002411 0.006382 -0.002870 31O 2s 0.003955 0.000469 -0.002386 0.008189 0.019036 -0.003802 31O 3s -0.022962 -0.006435 -0.037799 -0.029982 -0.059327 -0.071841 31O 4s 0.015759 -0.014915 0.312072 -0.074854 -0.331597 0.688054 31O 5s -0.657283 0.761649 -0.052440 -1.319565 -0.372530 -1.111236 31O 1pz 0.022776 0.044944 -0.116328 0.051083 -0.000338 -0.028628 31O 1px -0.002300 -0.009643 -0.090490 0.002062 0.052599 -0.109569 31O 1py 0.012840 0.010755 -0.081417 0.024738 -0.009606 -0.006451 31O 2pz -0.088536 -0.020464 0.208441 -0.222664 -0.174581 0.083621 31O 2px 0.062578 -0.054381 -0.007086 0.137595 0.132517 -0.067897 31O 2py 0.050849 -0.049409 0.104509 0.138377 0.224671 -0.014564 31O 3pz -0.062672 0.241881 -0.055366 -0.006951 0.013611 -0.132065 31O 3px 0.254819 -0.315693 -0.262960 0.395096 0.158557 0.072385 31O 3py 0.164585 -0.215261 -0.090536 0.100256 -0.205466 0.146094 31O 1dz2 0.001627 -0.000548 0.002966 0.000288 0.001986 0.006696 31O 1dxz 0.002760 -0.002999 0.000952 -0.003246 -0.006803 0.005069 31O 1dyz 0.004274 -0.003929 0.005705 0.009202 0.005617 0.007181 31O 1dx2y2 -0.001739 0.002807 0.007005 0.002083 0.005042 0.006966 31O 1dxy -0.000587 0.002833 -0.001684 0.005859 0.007711 -0.000005 31O 2dz2 0.022317 -0.023441 -0.012332 -0.001048 0.038107 -0.013030 31O 2dxz 0.038177 -0.056918 -0.044845 0.008066 -0.019093 0.028841 31O 2dyz 0.076327 -0.090454 0.072664 0.139207 0.020545 0.159573 31O 2dx2y2 0.014989 0.042125 0.182786 0.037162 -0.035181 0.218445 31O 2dxy -0.051172 0.042259 0.021485 -0.006665 -0.005149 0.032873 31O 1f0 0.002298 -0.002184 -0.000102 0.010801 0.013997 0.001396 31O 1f+1 -0.000987 -0.001843 -0.001891 -0.002197 0.005252 0.001532 31O 1f-1 0.002005 0.000702 0.000887 0.000757 -0.000256 0.005098 31O 1f+2 0.000416 0.003762 0.005979 0.001582 -0.000810 0.010794 31O 1f-2 -0.002491 0.002241 0.005214 -0.002010 -0.005710 0.008488 31O 1f+3 0.000198 0.001993 -0.000296 -0.001956 -0.002439 -0.000397 31O 1f-3 -0.004058 0.003645 0.002386 -0.006202 0.001923 0.001827 32O 1s 0.006397 0.006420 -0.010266 -0.003034 0.012782 -0.000277 32O 2s 0.018017 0.017297 -0.022359 0.000991 0.035301 -0.004451 32O 3s -0.032689 -0.008495 -0.142910 -0.266206 -0.042469 0.109878 32O 4s -0.154225 -0.213451 0.832658 0.947823 -0.375976 -0.341961 32O 5s -0.235050 -0.410147 1.050784 0.892627 -0.636772 -0.219477 32O 1pz 0.440663 0.422413 0.209027 0.029109 -0.133961 -0.115883 32O 1px 0.230595 0.229275 -0.079566 0.064443 0.244320 -0.059106 32O 1py -0.143477 -0.188263 0.490419 0.594464 -0.172818 -0.192595 32O 2pz 0.248918 0.252992 0.137253 0.150114 -0.001753 -0.144072 32O 2px 0.098390 0.130852 -0.145009 -0.409203 -0.185742 0.091207 32O 2py 0.008699 0.035276 -0.229509 -0.420281 -0.052300 0.162616 32O 3pz 0.805597 0.792553 0.396457 0.104603 -0.334308 -0.264019 32O 3px 0.400686 0.377243 -0.117811 -0.114954 0.320186 -0.043045 32O 3py -0.182483 -0.277764 0.671148 0.842939 -0.346471 -0.249828 32O 1dz2 -0.012786 -0.011829 -0.014252 -0.008788 0.009095 0.005981 32O 1dxz 0.018193 0.018015 -0.001774 -0.005073 -0.000465 -0.003101 32O 1dyz -0.019786 -0.019407 -0.009415 -0.005684 0.003164 0.007731 32O 1dx2y2 0.004244 0.003596 0.004262 0.000240 -0.002170 -0.002090 32O 1dxy -0.011986 -0.013337 0.008116 0.012094 -0.004679 -0.001631 32O 2dz2 0.106412 0.090753 0.384919 0.266568 -0.219368 -0.166511 32O 2dxz -0.303879 -0.310680 0.157231 0.144587 -0.171323 -0.001236 32O 2dyz 0.505437 0.498250 0.147698 0.012319 -0.071504 -0.127896 32O 2dx2y2 -0.074336 -0.085307 0.014477 0.042482 0.059433 -0.001508 32O 2dxy 0.219881 0.228353 -0.056306 -0.092868 0.053051 -0.040216 32O 1f0 -0.005783 -0.008777 0.033223 0.030631 -0.021639 -0.010093 32O 1f+1 0.011508 0.012131 -0.012222 -0.013225 0.008293 0.002439 32O 1f-1 0.018265 0.014173 0.052768 0.045157 -0.027627 -0.022613 32O 1f+2 -0.008746 -0.007335 -0.020111 -0.014854 0.014959 0.008483 32O 1f-2 -0.048316 -0.050709 0.014364 0.027692 -0.010015 0.002765 32O 1f+3 0.014273 0.014412 -0.008303 -0.010815 0.005121 0.000416 32O 1f-3 0.022596 0.022885 -0.003368 -0.004932 0.005207 -0.003435 33O 1s -0.000544 0.001506 -0.002425 0.003011 0.004103 0.001988 33O 2s -0.003245 0.004286 -0.008773 0.008843 0.012957 0.004450 33O 3s 0.030068 -0.007682 0.063568 -0.030701 -0.045971 0.001044 33O 4s -0.138609 -0.018255 -0.107273 -0.147956 -0.197673 -0.163531 33O 5s 1.175645 -1.037920 -0.119157 -0.036862 -0.562501 0.825726 33O 1pz 0.022315 0.002039 -0.041751 -0.011724 -0.010393 0.012212 33O 1px 0.034917 0.033326 0.013929 -0.002945 -0.005414 0.038890 33O 1py 0.022381 -0.037769 0.046204 0.138228 0.056662 -0.006993 33O 2pz 0.050263 -0.070088 0.016327 -0.017299 -0.200636 0.075943 33O 2px -0.095510 0.065149 0.016932 0.080661 0.176307 -0.026707 33O 2py 0.001715 0.040855 -0.071328 -0.174832 -0.139333 0.053701 33O 3pz 0.391312 -0.362408 0.114503 -0.244508 0.200897 -0.067976 33O 3px -0.348125 0.467495 -0.000224 0.130336 -0.011752 -0.114867 33O 3py 0.039764 -0.032170 0.095320 0.153262 0.215608 -0.081098 33O 1dz2 0.001482 0.003732 0.000463 0.002930 -0.002164 0.009441 33O 1dxz -0.002368 0.002646 -0.003520 -0.000153 -0.003193 0.003338 33O 1dyz 0.002485 0.000428 -0.000265 -0.000672 -0.011025 0.002431 33O 1dx2y2 0.003490 -0.002203 0.001032 0.000039 0.004375 0.001505 33O 1dxy 0.001395 -0.001674 -0.000558 0.001928 -0.001418 -0.000098 33O 2dz2 0.120356 0.017096 -0.013369 0.075022 -0.047543 0.175812 33O 2dxz -0.098824 0.121963 -0.020581 0.021600 0.025132 0.019051 33O 2dyz 0.090942 -0.048111 -0.013661 0.076640 -0.090253 0.047140 33O 2dx2y2 0.005360 -0.063229 0.001622 -0.047537 0.049892 -0.014862 33O 2dxy -0.041566 -0.000372 -0.009173 -0.031612 0.010720 -0.041902 33O 1f0 -0.004468 0.003596 0.001912 0.003128 0.001092 0.001391 33O 1f+1 -0.003391 0.001979 0.002140 -0.000053 0.007302 -0.004968 33O 1f-1 -0.000024 0.001623 -0.000084 -0.000025 -0.007663 0.006312 33O 1f+2 0.004080 -0.006637 -0.003240 0.000024 -0.003219 -0.002273 33O 1f-2 -0.000745 0.001467 -0.000063 -0.002319 0.000614 -0.000899 33O 1f+3 0.000976 -0.003306 -0.001236 0.000260 -0.005026 -0.001622 33O 1f-3 0.000009 0.002971 -0.000943 -0.003415 -0.002729 0.002445 34O 1s 0.000724 0.000983 -0.000752 0.000853 0.002873 0.001298 34O 2s 0.002036 0.003417 -0.005076 0.002803 0.010353 0.000458 34O 3s -0.005947 -0.026334 0.075296 -0.003791 -0.060456 0.070833 34O 4s -0.052172 -0.018629 -0.385900 -0.056873 0.122987 -0.530563 34O 5s 0.500100 0.976399 0.240472 -0.512085 -1.386543 -0.179760 34O 1pz 0.029783 0.059241 0.061568 0.003909 -0.202207 0.316729 34O 1px 0.011411 0.033751 -0.017100 0.006341 0.011870 0.003038 34O 1py 0.062026 0.033729 -0.000642 0.158195 0.110656 0.093401 34O 2pz -0.050336 -0.082587 -0.076251 -0.041110 0.217433 -0.377577 34O 2px -0.007961 0.043920 -0.097321 -0.168158 -0.203346 -0.225616 34O 2py -0.075917 -0.075084 -0.016876 -0.110496 -0.003689 -0.163103 34O 3pz -0.017731 -0.059600 0.144566 0.151813 -0.180765 0.303639 34O 3px 0.239622 0.400030 0.166813 0.165451 -0.315489 -0.258528 34O 3py 0.071371 0.023805 -0.122299 0.027828 0.044510 -0.037169 34O 1dz2 -0.002432 0.000533 -0.006347 -0.002131 0.001338 -0.002130 34O 1dxz -0.003641 -0.001572 -0.001803 -0.004367 0.000414 -0.001044 34O 1dyz 0.000575 -0.001041 -0.001492 0.006371 0.005515 -0.005109 34O 1dx2y2 0.003379 0.000250 0.000749 0.008381 0.006378 -0.003512 34O 1dxy 0.001311 0.000661 -0.003284 0.001584 0.004412 -0.004905 34O 2dz2 -0.049870 -0.041809 -0.076699 -0.005696 0.053217 0.007780 34O 2dxz -0.010597 -0.008187 0.002892 -0.039557 -0.114084 0.128792 34O 2dyz -0.008499 -0.042703 -0.045380 0.052770 0.103363 -0.106240 34O 2dx2y2 0.041845 0.044229 -0.023628 0.076674 0.051528 -0.116098 34O 2dxy -0.039927 -0.050280 -0.064502 0.100020 0.188108 -0.108060 34O 1f0 0.001083 0.000542 -0.000896 0.002634 0.004386 -0.003169 34O 1f+1 0.000013 -0.004079 0.002721 0.006152 0.013108 0.005167 34O 1f-1 -0.000765 -0.000133 -0.002636 -0.000522 -0.000574 -0.005602 34O 1f+2 -0.000096 -0.002470 -0.007447 0.002853 0.005365 -0.010485 34O 1f-2 0.001618 0.000803 0.004383 0.003860 0.001077 0.003001 34O 1f+3 -0.003159 -0.005110 0.002436 0.002112 0.001734 0.002764 34O 1f-3 -0.003287 0.002035 0.002025 -0.005935 -0.003888 0.000730 35O 1s -0.001643 -0.000887 0.001004 0.000839 0.001261 -0.002368 35O 2s -0.004487 -0.002191 0.003452 0.003768 0.003907 -0.005951 35O 3s 0.010221 0.005975 -0.013774 -0.048771 -0.001016 0.000734 35O 4s 0.105058 0.091696 -0.035932 0.240850 -0.131627 0.214793 35O 5s -0.263128 -0.686798 -0.228874 0.092110 -0.614949 0.409815 35O 1pz 0.038332 0.028203 -0.045467 -0.088227 -0.169311 0.129267 35O 1px 0.022774 0.009671 -0.007038 0.001252 0.046946 0.090319 35O 1py -0.057400 -0.076182 0.037564 0.003623 -0.068840 -0.206527 35O 2pz -0.057024 -0.050938 0.052638 0.095396 0.113773 -0.206506 35O 2px 0.009742 -0.055566 -0.061968 0.093018 -0.235333 -0.016201 35O 2py 0.098062 0.092863 -0.080349 0.009233 -0.026581 0.351934 35O 3pz 0.032019 0.020763 -0.139201 -0.042397 -0.171860 0.130709 35O 3px -0.172320 -0.247077 -0.178478 0.073726 0.071580 0.181723 35O 3py -0.128998 -0.166777 -0.126580 0.182232 -0.013056 -0.095708 35O 1dz2 0.002511 0.000900 0.000368 0.001567 -0.007616 -0.003842 35O 1dxz 0.002073 -0.001477 -0.001084 0.001446 -0.002672 -0.002094 35O 1dyz 0.002043 -0.002164 -0.000564 0.000467 -0.004541 -0.002885 35O 1dx2y2 -0.006498 -0.002472 -0.001632 0.001330 0.007060 -0.001842 35O 1dxy -0.001928 -0.001972 -0.002730 -0.000879 0.001881 0.002801 35O 2dz2 0.010784 0.007223 -0.001492 -0.021661 -0.041837 -0.062845 35O 2dxz -0.033984 -0.002897 -0.020274 -0.028649 -0.135975 -0.012700 35O 2dyz -0.025253 -0.052563 -0.019527 -0.055424 -0.069344 -0.039638 35O 2dx2y2 -0.037908 -0.058390 -0.023929 0.053202 0.081816 0.001729 35O 2dxy -0.047349 -0.039634 -0.046135 -0.021999 -0.024856 0.032952 35O 1f0 0.000338 -0.000299 -0.001127 0.006547 0.006657 0.000736 35O 1f+1 0.001598 0.003699 0.004014 0.001517 0.002144 0.002499 35O 1f-1 0.001153 -0.001871 0.000763 -0.000407 -0.002131 -0.005498 35O 1f+2 -0.000956 -0.000601 0.000431 -0.001721 0.001932 -0.001785 35O 1f-2 0.002959 0.001344 0.001154 -0.002857 -0.007705 0.001185 35O 1f+3 0.000824 0.002421 0.004473 0.001477 0.003230 0.006431 35O 1f-3 -0.001320 0.003523 0.002282 -0.005698 0.006268 -0.005969 456 457 458 459 460 461 2.66490 2.67759 2.68962 2.69450 2.70860 2.71013 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s -0.000845 -0.001500 -0.001095 -0.000328 -0.000703 -0.000777 0Rh 2s 0.002155 0.005768 0.008230 0.016236 0.008605 0.008294 0Rh 3s -0.003685 -0.005365 -0.001470 0.007941 0.001082 0.000448 0Rh 4s -0.011136 -0.029953 -0.042884 -0.084187 -0.044488 -0.043184 0Rh 5s 0.003584 0.034866 0.083395 0.212779 0.094766 0.092493 0Rh 6s 0.070026 0.071040 -0.057036 -0.325928 -0.089626 -0.090251 0Rh 7s -0.423296 -0.562759 0.130375 1.182344 0.466906 0.179303 0Rh 8s 0.165718 -0.087696 0.026056 -0.481526 -0.191620 0.122603 0Rh 1pz -0.008308 -0.010995 -0.005024 -0.000960 -0.003431 0.009282 0Rh 1px -0.003196 -0.008130 0.000262 0.004338 -0.000111 0.000665 0Rh 1py -0.004194 0.002380 -0.006957 0.000254 -0.003384 0.006102 0Rh 2pz 0.030334 0.040342 0.018009 0.003242 0.012100 -0.033063 0Rh 2px 0.011309 0.028803 -0.001173 -0.014630 0.001753 -0.002706 0Rh 2py 0.015089 -0.008905 0.025169 -0.000627 0.012568 -0.021536 0Rh 3pz -0.038973 -0.055930 -0.015723 0.001448 -0.006043 0.024381 0Rh 3px -0.006974 -0.017696 0.005842 -0.006917 -0.030391 0.009301 0Rh 3py -0.015053 0.015621 -0.026953 -0.005405 -0.020738 0.011523 0Rh 4pz -0.050856 -0.050242 -0.063324 -0.029502 -0.063170 0.135228 0Rh 4px -0.051157 -0.135012 -0.014979 0.135178 0.114953 -0.019867 0Rh 4py -0.040814 -0.000018 -0.067631 0.026345 0.000041 0.106579 0Rh 5pz 0.076289 0.064238 0.112446 0.055741 0.125436 -0.246967 0Rh 5px 0.090393 0.261108 0.022026 -0.256566 -0.228653 0.036881 0Rh 5py 0.052881 -0.000200 0.116537 -0.042541 -0.022807 -0.200294 0Rh 6pz 0.154797 0.346372 0.239314 -0.081793 -0.096762 0.100763 0Rh 6px -0.047871 -0.209826 0.039424 0.390478 0.577095 -0.081087 0Rh 6py 0.145577 -0.433027 0.308115 -0.077409 0.264706 0.273947 0Rh 1dz2 0.008516 -0.001191 -0.016678 0.009958 -0.003491 0.016826 0Rh 1dxz -0.008688 -0.008192 0.012479 0.010120 -0.006472 0.000009 0Rh 1dyz 0.026392 -0.007962 -0.008653 0.010803 -0.019108 0.002538 0Rh 1dx2y2 0.008798 -0.000540 -0.017169 -0.018718 0.012323 -0.018074 0Rh 1dxy 0.006281 0.005711 -0.005582 0.006947 -0.013589 -0.019199 0Rh 2dz2 -0.002795 0.003186 0.002276 -0.002256 0.000951 -0.000525 0Rh 2dxz -0.000465 0.001429 0.000697 -0.002060 -0.000778 -0.002018 0Rh 2dyz -0.001893 0.001138 0.009747 -0.002567 0.004110 -0.001306 0Rh 2dx2y2 -0.002741 -0.000289 0.000405 0.002408 0.001770 0.001275 0Rh 2dxy -0.002495 0.001063 0.003891 0.001143 0.001115 -0.001353 0Rh 3dz2 -0.012319 -0.010707 0.037848 -0.018549 0.005447 -0.046673 0Rh 3dxz 0.026970 0.017365 -0.039449 -0.020067 0.022433 0.009149 0Rh 3dyz -0.067335 0.017575 -0.019886 -0.019616 0.036856 -0.001375 0Rh 3dx2y2 -0.013324 0.003210 0.048119 0.043569 -0.044337 0.046935 0Rh 3dxy -0.006898 -0.021441 -0.001627 -0.025399 0.034443 0.062333 0Rh 4dz2 -0.034342 0.042680 0.033198 -0.033709 0.020268 -0.003455 0Rh 4dxz -0.003970 0.018525 0.013498 -0.028581 -0.013076 -0.032456 0Rh 4dyz -0.028835 0.020477 0.157431 -0.037886 0.059856 -0.020414 0Rh 4dx2y2 -0.035828 -0.009761 0.001754 0.029807 0.034696 0.015507 0Rh 4dxy -0.035590 0.017443 0.061032 0.018297 0.015249 -0.027846 0Rh 5dz2 0.135823 -0.116892 -0.264286 0.225417 -0.165261 0.194236 0Rh 5dxz -0.099897 -0.128230 0.091947 0.197713 -0.040573 0.127478 0Rh 5dyz 0.358787 -0.169027 -0.679516 0.240804 -0.413946 0.098341 0Rh 5dx2y2 0.183820 0.071380 -0.188972 -0.269632 -0.008415 -0.266237 0Rh 5dxy 0.167523 0.012128 -0.281142 0.020098 -0.197037 -0.102091 0Rh 1f0 -0.001518 -0.044026 0.035850 -0.026293 0.027393 0.000298 0Rh 1f+1 0.035292 0.011630 0.039924 0.012928 0.007548 -0.054109 0Rh 1f-1 0.098387 0.088665 0.069756 -0.004327 0.057619 -0.134226 0Rh 1f+2 -0.073821 -0.125154 -0.021144 0.031458 -0.014921 0.073285 0Rh 1f-2 0.064365 -0.018911 0.091217 0.009908 0.029726 -0.063258 0Rh 1f+3 0.009693 0.062238 -0.033091 0.024673 -0.002400 -0.040376 0Rh 1f-3 -0.017683 -0.001485 0.012191 0.014250 0.007173 -0.039549 1Rh 1s -0.000969 -0.001659 0.001115 -0.000345 -0.000922 0.000667 1Rh 2s 0.003028 0.006874 -0.008095 0.016286 0.010677 -0.007323 1Rh 3s -0.003887 -0.005630 0.001670 0.007875 0.001047 -0.000507 1Rh 4s -0.015673 -0.035714 0.042182 -0.084447 -0.055289 0.038160 1Rh 5s 0.012091 0.045649 -0.080911 0.212985 0.117304 -0.082676 1Rh 6s 0.065331 0.065176 0.050985 -0.325018 -0.109920 0.084178 1Rh 7s -0.417986 -0.556315 -0.100868 1.177946 0.506794 -0.148705 1Rh 8s 0.182084 -0.068608 -0.036675 -0.482542 -0.169137 -0.131799 1Rh 1pz 0.008444 0.011329 -0.005325 0.001192 0.002422 0.009625 1Rh 1px 0.003157 0.008147 0.000095 -0.004367 0.000090 0.000809 1Rh 1py 0.003963 -0.002767 -0.007057 -0.000134 0.002698 0.006489 1Rh 2pz -0.030833 -0.041545 0.019115 -0.004061 -0.008520 -0.034274 1Rh 2px -0.011167 -0.028855 -0.000592 0.014724 -0.001594 -0.003357 1Rh 2py -0.014269 0.010301 0.025522 0.000203 -0.010160 -0.022974 1Rh 3pz 0.039692 0.057066 -0.017323 -0.000950 0.003705 0.025015 1Rh 3px 0.006792 0.017656 0.005718 0.007052 0.028429 0.012716 1Rh 3py 0.014478 -0.016959 -0.027125 0.005669 0.019689 0.013924 1Rh 4pz 0.051484 0.054192 -0.064395 0.033112 0.047359 0.141460 1Rh 4px 0.050748 0.135362 -0.018629 -0.136578 -0.107857 -0.029454 1Rh 4py 0.037200 -0.004597 -0.069313 -0.024398 -0.012942 0.106477 1Rh 5pz -0.077691 -0.071721 0.113388 -0.061435 -0.097291 -0.259555 1Rh 5px -0.088774 -0.260514 0.028840 0.260031 0.215514 0.056103 1Rh 5py -0.045378 0.009621 0.119077 0.039009 0.047082 -0.197414 1Rh 6pz -0.156798 -0.347779 0.258994 0.070068 0.092099 0.123171 1Rh 6px 0.031233 0.184925 0.034645 -0.411852 -0.552382 -0.131754 1Rh 6py -0.163145 0.416631 0.299428 0.078037 -0.315384 0.231201 1Rh 1dz2 0.009504 -0.000162 0.016235 0.009534 -0.000683 -0.017249 1Rh 1dxz -0.008198 -0.007439 -0.011919 0.010110 -0.004379 -0.000625 1Rh 1dyz 0.026590 -0.007355 0.007040 0.010687 -0.018510 -0.005231 1Rh 1dx2y2 0.008730 -0.000791 0.016770 -0.018258 0.008098 0.019682 1Rh 1dxy 0.006121 0.005838 0.005058 0.007201 -0.015542 0.017330 1Rh 2dz2 -0.002782 0.003133 -0.002295 -0.002184 0.000819 0.000685 1Rh 2dxz -0.000368 0.001534 -0.000736 -0.002007 -0.000965 0.001955 1Rh 2dyz -0.002084 0.000737 -0.009546 -0.002434 0.003851 0.001891 1Rh 2dx2y2 -0.002817 -0.000453 -0.000359 0.002365 0.001935 -0.001111 1Rh 2dxy -0.002643 0.000825 -0.003759 0.001184 0.001060 0.001489 1Rh 3dz2 -0.015241 -0.013444 -0.036507 -0.017650 -0.002140 0.047116 1Rh 3dxz 0.025106 0.014696 0.037988 -0.020277 0.017162 -0.007070 1Rh 3dyz -0.067026 0.017670 0.023654 -0.019885 0.036306 0.006546 1Rh 3dx2y2 -0.012783 0.004684 -0.047187 0.042428 -0.032752 -0.052424 1Rh 3dxy -0.005759 -0.020717 0.002544 -0.026330 0.040415 -0.057516 1Rh 4dz2 -0.033866 0.041999 -0.033149 -0.032677 0.018935 0.006781 1Rh 4dxz -0.002378 0.020404 -0.013853 -0.027774 -0.015462 0.031484 1Rh 4dyz -0.031910 0.013995 -0.154668 -0.035867 0.055903 0.028973 1Rh 4dx2y2 -0.036959 -0.012309 -0.000839 0.029249 0.036146 -0.011855 1Rh 4dxy -0.037944 0.013662 -0.059085 0.019040 0.013600 0.029686 1Rh 5dz2 0.144010 -0.103087 0.256738 0.217729 -0.128897 -0.218541 1Rh 5dxz -0.099149 -0.125698 -0.086081 0.195308 -0.007540 -0.133224 1Rh 5dyz 0.373231 -0.137316 0.653550 0.233519 -0.393441 -0.157277 1Rh 5dx2y2 0.184212 0.074486 0.179448 -0.263004 -0.062265 0.266500 1Rh 5dxy 0.173786 0.026622 0.268638 0.019842 -0.212138 0.075285 1Rh 1f0 0.002294 0.046318 0.035516 0.026903 -0.027333 -0.003193 1Rh 1f+1 -0.036153 -0.011279 0.040009 -0.015062 0.000039 -0.054662 1Rh 1f-1 -0.099317 -0.090482 0.073188 0.000144 -0.040569 -0.139951 1Rh 1f+2 0.076304 0.129010 -0.024465 -0.027606 0.007791 0.075340 1Rh 1f-2 -0.061602 0.023843 0.092164 -0.010855 -0.020346 -0.066323 1Rh 1f+3 -0.012582 -0.066513 -0.032291 -0.026925 0.008085 -0.039425 1Rh 1f-3 0.019130 0.002905 0.011672 -0.014800 -0.000833 -0.039598 2C 1s 0.001620 0.002183 0.000808 0.005979 0.007607 0.009692 2C 2s 0.002015 0.004395 0.001610 0.019614 0.026118 0.033318 2C 3s -0.383795 0.086877 -0.129480 0.160228 0.304548 0.166328 2C 4s 2.192180 -0.797603 0.426310 -1.166755 -2.510975 -1.635624 2C 5s 1.471156 0.164847 -0.069491 1.810567 0.025704 2.937301 2C 1pz -0.122987 0.013284 -0.047794 0.037392 0.072127 -0.006039 2C 1px -0.067056 -0.069801 -0.085198 0.018777 -0.047096 0.043823 2C 1py -0.074428 0.019499 0.000603 0.025384 0.093628 0.013018 2C 2pz 0.520714 -0.968347 -0.454835 0.281272 -0.491184 0.955139 2C 2px 1.307795 0.534668 0.383728 0.067948 -0.170704 -0.220270 2C 2py 0.587895 0.149917 0.219863 0.160175 0.204675 0.559985 2C 3pz 0.301520 -0.120311 -0.042348 0.371613 -0.214467 0.585528 2C 3px 0.060948 0.097519 0.087957 0.090742 0.079698 0.016684 2C 3py 0.379766 -0.019569 0.033489 0.213447 0.033994 0.341511 2C 1dz2 0.057937 0.064923 0.071095 -0.086634 -0.047114 -0.160183 2C 1dxz 0.105147 0.025262 0.033013 -0.038138 -0.060732 -0.097089 2C 1dyz 0.057885 -0.019482 0.026053 -0.127424 -0.184430 -0.239831 2C 1dx2y2 -0.087015 -0.043838 -0.036917 0.052060 0.049190 0.119557 2C 1dxy 0.025322 0.107748 0.058858 -0.021351 0.033735 -0.038630 2C 2dz2 -0.038219 -0.271845 -0.162800 0.157665 -0.029278 0.444629 2C 2dxz -0.118836 0.073434 0.070250 0.082213 0.185976 0.139788 2C 2dyz 0.329958 -0.047240 -0.057730 0.192208 0.118817 0.453536 2C 2dx2y2 0.306718 0.466279 0.304009 -0.108477 0.107002 -0.360023 2C 2dxy 0.154577 -0.127070 0.046261 0.013304 -0.011678 -0.020854 2C 1f0 0.029722 0.121720 0.084213 -0.023434 0.069485 -0.030588 2C 1f+1 -0.024992 -0.009843 -0.033595 0.015050 -0.005590 0.015409 2C 1f-1 0.040923 0.000081 0.024188 -0.059237 -0.068181 -0.091663 2C 1f+2 -0.109603 0.063012 0.019397 0.043792 0.152525 0.103290 2C 1f-2 0.016003 0.031576 0.031767 -0.049338 0.010232 -0.050453 2C 1f+3 -0.046654 0.010971 -0.006552 0.029668 0.086702 0.059228 2C 1f-3 0.026566 -0.071604 -0.055934 0.011092 -0.055228 0.005995 3C 1s -0.000315 0.001068 -0.003663 0.008432 -0.001220 -0.002841 3C 2s 0.000261 0.002373 -0.011962 0.029016 -0.004372 -0.008985 3C 3s 0.318487 -0.108738 -0.081310 0.384725 0.013730 -0.107246 3C 4s -2.036727 0.474316 0.864623 -2.856328 0.256191 0.883850 3C 5s -1.212924 -0.062974 -0.060022 0.930561 0.968979 -0.635342 3C 1pz 0.086623 0.021905 -0.076320 0.083930 -0.001712 -0.028726 3C 1px 0.013831 -0.042946 0.034287 0.040330 0.019801 0.005340 3C 1py -0.070722 0.055381 -0.002011 -0.089598 -0.017257 0.007154 3C 2pz -0.034882 -0.189145 -0.075599 0.152405 0.039959 0.105839 3C 2px -0.388941 0.762861 -0.611710 -0.148364 -0.100118 -0.224525 3C 2py 1.098008 0.050943 -0.526770 0.298613 -0.093545 -0.171753 3C 3pz -0.341132 0.154749 0.010251 0.028922 0.094174 -0.049116 3C 3px -0.092617 0.015147 -0.193095 0.073132 0.087332 -0.091700 3C 3py 0.372460 0.098727 -0.124996 -0.087960 -0.288444 0.025963 3C 1dz2 -0.051295 -0.029176 0.073563 -0.001414 -0.000260 0.025609 3C 1dxz -0.007468 0.071699 -0.029658 -0.076272 -0.002519 0.003358 3C 1dyz 0.010088 0.014869 -0.041927 0.169418 -0.018749 -0.057725 3C 1dx2y2 0.041216 -0.048399 -0.014475 0.142586 -0.019428 -0.020748 3C 1dxy 0.073844 -0.012043 -0.070603 0.125784 0.020141 -0.036509 3C 2dz2 0.036825 -0.062582 0.019249 0.008235 0.006381 0.035821 3C 2dxz -0.102600 -0.232965 0.151185 0.049904 0.073198 0.049140 3C 2dyz 0.373230 -0.121010 -0.117302 -0.059906 0.055187 0.043639 3C 2dx2y2 0.030463 0.186038 -0.089840 -0.178596 -0.067796 -0.072178 3C 2dxy -0.027518 -0.075174 0.269902 -0.128771 0.004802 0.058683 3C 1f0 -0.061939 -0.018989 0.052811 -0.013164 0.004002 0.009666 3C 1f+1 -0.069041 0.009252 0.050742 -0.041617 0.012107 0.021483 3C 1f-1 0.116991 0.023619 -0.104457 0.052798 -0.009719 -0.032034 3C 1f+2 0.049441 -0.027868 0.002015 0.141730 -0.001472 -0.030546 3C 1f-2 0.072697 -0.014967 -0.086386 0.106123 -0.012534 -0.032422 3C 1f+3 -0.035397 -0.053760 0.078466 -0.029514 0.003782 0.033968 3C 1f-3 -0.006939 -0.015167 0.068663 0.000241 -0.030573 0.021560 4C 1s -0.005603 0.001130 -0.001809 -0.002130 -0.002204 -0.000866 4C 2s -0.025411 0.001416 -0.010301 0.002292 -0.000403 0.008561 4C 3s 0.439876 -0.077501 0.257943 -0.151543 0.101324 -0.106381 4C 4s -1.245274 0.768692 -0.628314 0.279438 -1.054176 -0.334528 4C 5s 0.050893 -0.118756 0.043934 0.036102 -0.818111 -0.877962 4C 1pz 0.015724 0.081870 0.069156 -0.011488 0.044498 -0.037970 4C 1px 0.032227 0.010671 0.010104 -0.040161 0.007836 -0.057086 4C 1py 0.001537 0.067684 0.047984 -0.022295 0.032584 -0.040977 4C 2pz 0.574202 -0.563046 -0.367210 0.021410 -0.842719 0.294547 4C 2px 0.123054 -0.019863 0.012104 0.194536 -0.173400 0.322274 4C 2py 0.487305 -0.404915 -0.195225 0.076342 -0.555175 0.277403 4C 3pz 1.866534 -0.200705 0.223925 1.194063 -1.029280 1.067213 4C 3px 0.049093 -0.531717 -0.105756 0.258380 -0.288778 0.505615 4C 3py 0.901611 -0.244888 0.040913 0.889344 -0.967316 0.839071 4C 1dz2 0.149965 -0.085696 0.005044 -0.063344 -0.094907 -0.123896 4C 1dxz 0.072741 -0.035910 0.017577 -0.041508 -0.077935 -0.074576 4C 1dyz 0.055665 0.048255 0.034634 -0.080966 -0.136663 -0.145907 4C 1dx2y2 -0.002260 -0.121234 -0.025979 0.039606 -0.057338 0.061046 4C 1dxy 0.043719 0.026755 0.030467 -0.035637 0.020660 -0.049868 4C 2dz2 -0.817417 0.018838 -0.089664 -0.009736 0.317297 0.100173 4C 2dxz 0.194989 0.726775 0.577311 -0.041120 0.626882 -0.251031 4C 2dyz -0.532486 0.122232 -0.023950 0.088996 0.424266 0.078083 4C 2dx2y2 0.333297 -0.104610 -0.162636 0.156788 -0.429359 0.117962 4C 2dxy 0.311237 0.294862 0.077834 0.152047 -0.094391 -0.084793 4C 1f0 0.009952 0.045043 0.078143 0.002316 0.088357 0.026124 4C 1f+1 0.020627 0.010507 0.027191 0.000394 0.009696 0.014644 4C 1f-1 -0.089418 -0.063001 -0.070488 0.071202 0.116969 0.178125 4C 1f+2 0.030977 -0.011047 -0.006579 -0.022794 0.008844 -0.035608 4C 1f-2 0.040611 0.032455 0.022528 0.013617 0.119067 0.056238 4C 1f+3 -0.033851 0.039256 0.026702 0.037659 -0.001631 0.043531 4C 1f-3 -0.011394 -0.040699 0.001157 -0.050678 -0.031909 -0.014862 5C 1s 0.004665 -0.003225 0.001573 -0.000626 -0.001945 -0.000199 5C 2s 0.017040 -0.013288 0.003781 0.010410 -0.004403 -0.002988 5C 3s -0.260003 0.126986 -0.005391 -0.227246 0.033011 0.083015 5C 4s 0.831037 0.079548 -0.107674 0.292758 -0.357635 -0.324599 5C 5s -0.480741 0.457230 0.044317 -0.434017 0.110176 0.139346 5C 1pz 0.039594 -0.006789 -0.029031 0.010887 -0.008869 -0.022283 5C 1px 0.016796 0.058314 -0.009748 -0.003058 -0.003507 -0.027796 5C 1py -0.040377 -0.038708 0.040631 -0.008729 0.012672 0.013099 5C 2pz -0.564326 0.146288 0.214952 -0.340153 0.002298 0.138144 5C 2px -0.300844 -0.056138 0.068331 -0.218270 0.001037 0.147536 5C 2py 0.836451 -0.049226 -0.352086 0.555917 -0.023234 -0.197714 5C 3pz -1.015846 -0.101873 0.201649 -0.193491 0.782535 -0.045036 5C 3px -0.712213 0.028842 0.292361 -0.040592 0.620556 0.068484 5C 3py 1.889636 -0.284079 -0.049308 0.201398 -1.081800 0.155615 5C 1dz2 0.102073 -0.068332 -0.046763 0.072000 -0.000285 -0.004234 5C 1dxz 0.074572 0.044573 -0.097570 -0.032977 0.024681 -0.015104 5C 1dyz 0.020958 0.027104 -0.032997 0.126624 -0.034490 -0.045416 5C 1dx2y2 0.101216 -0.059006 -0.066741 0.135864 0.005808 -0.019255 5C 1dxy 0.071425 0.020759 -0.041131 0.110824 0.000818 -0.046976 5C 2dz2 0.002989 0.003539 0.087183 -0.037231 -0.063387 0.046009 5C 2dxz 0.259494 0.060060 -0.189862 0.173889 -0.226876 -0.080933 5C 2dyz -0.267340 0.207361 -0.108174 -0.353550 0.007395 0.028077 5C 2dx2y2 -0.722708 0.279728 0.042632 -0.455885 0.104196 0.097872 5C 2dxy -0.492730 -0.301635 0.621857 -0.307940 0.143254 0.299941 5C 1f0 -0.036368 0.028033 0.039767 -0.105236 -0.025505 0.035168 5C 1f+1 -0.018928 -0.017760 -0.017886 -0.035975 -0.051605 0.043333 5C 1f-1 -0.000320 0.082093 -0.122887 0.048640 -0.053543 -0.035030 5C 1f+2 -0.018434 0.015064 0.035436 -0.099179 0.033055 0.001425 5C 1f-2 -0.011879 0.001728 0.031159 -0.047138 0.018366 0.030520 5C 1f+3 0.004140 -0.010937 0.046287 0.049601 -0.015284 0.002823 5C 1f-3 -0.031689 0.004503 0.023141 0.000345 -0.025245 0.030935 6C 1s 0.004636 -0.003426 -0.001645 -0.000556 -0.002066 0.000044 6C 2s 0.016853 -0.014089 -0.004063 0.010622 -0.005144 0.002459 6C 3s -0.254973 0.140358 0.005553 -0.232489 0.048848 -0.083990 6C 4s 0.816712 0.044291 0.115789 0.320727 -0.422916 0.328530 6C 5s -0.490289 0.446908 -0.020184 -0.424075 0.143456 -0.104879 6C 1pz -0.040267 0.004667 -0.028731 -0.011280 0.012479 -0.021759 6C 1px -0.017817 -0.061242 -0.009076 0.001529 0.009665 -0.027493 6C 1py 0.041761 0.042674 0.038270 0.009443 -0.016307 0.013123 6C 2pz 0.569120 -0.135211 0.196998 0.340350 -0.024152 0.134922 6C 2px 0.304260 0.080236 0.063210 0.234699 -0.038752 0.153845 6C 2py -0.846096 0.023647 -0.315458 -0.561270 0.060677 -0.193867 6C 3pz 1.022863 0.113233 0.122873 0.187559 -0.740655 -0.158577 6C 3px 0.730986 0.006527 0.255223 0.048371 -0.625084 -0.000358 6C 3py -1.905029 0.258199 0.059607 -0.198636 0.999665 0.300587 6C 1dz2 0.103021 -0.066731 0.048954 0.071057 -0.000632 0.003709 6C 1dxz 0.076181 0.048050 0.099335 -0.031615 0.017952 0.019650 6C 1dyz 0.021625 0.027632 0.026511 0.127182 -0.039128 0.037729 6C 1dx2y2 0.101005 -0.059247 0.067531 0.135377 -0.000495 0.017503 6C 1dxy 0.072054 0.019542 0.037806 0.111362 -0.007198 0.043295 6C 2dz2 0.001734 0.001496 -0.097223 -0.036391 -0.056302 -0.057847 6C 2dxz 0.270328 0.078211 0.169030 0.174262 -0.235909 0.049868 6C 2dyz -0.259425 0.219314 0.118218 -0.356879 0.008809 -0.025112 6C 2dx2y2 -0.724045 0.272594 -0.015244 -0.460950 0.118837 -0.076210 6C 2dxy -0.509305 -0.328658 -0.600558 -0.313220 0.200063 -0.276055 6C 1f0 0.037412 -0.027260 0.038481 0.105678 0.021065 0.035849 6C 1f+1 0.018742 0.018440 -0.018012 0.037531 0.046199 0.049991 6C 1f-1 -0.002501 -0.086136 -0.120884 -0.048844 0.061232 -0.026548 6C 1f+2 0.017264 -0.017309 0.031795 0.097209 -0.033230 -0.007720 6C 1f-2 0.013323 -0.000021 0.030690 0.048124 -0.023509 0.026953 6C 1f+3 -0.003380 0.011709 0.047598 -0.049549 0.013868 0.006003 6C 1f-3 0.032932 -0.004367 0.022044 0.000544 0.018958 0.033804 7C 1s -0.005461 0.001121 0.001889 -0.002196 -0.001928 0.000670 7C 2s -0.024805 0.001299 0.011054 0.001829 0.001496 -0.008507 7C 3s 0.424699 -0.077024 -0.268815 -0.142136 0.073897 0.120171 7C 4s -1.176368 0.781759 0.638863 0.259390 -1.006333 0.203635 7C 5s 0.049887 -0.098407 -0.075085 0.055353 -0.869517 0.753759 7C 1pz -0.018989 -0.082374 0.067190 0.010097 -0.041606 -0.044608 7C 1px -0.034261 -0.012280 0.011434 0.038997 -0.000009 -0.058989 7C 1py -0.004024 -0.068628 0.048698 0.021491 -0.027542 -0.046576 7C 2pz -0.541654 0.560302 -0.320520 -0.017020 0.819834 0.406183 7C 2px -0.098334 0.030144 0.018900 -0.189355 0.129465 0.353407 7C 2py -0.461720 0.410044 -0.171282 -0.073600 0.528309 0.357535 7C 3pz -1.880680 0.208056 0.313791 -1.181676 0.901518 1.212512 7C 3px -0.036727 0.540617 -0.102665 -0.244356 0.213537 0.549277 7C 3py -0.915530 0.245727 0.107451 -0.874269 0.848228 0.979735 7C 1dz2 0.148447 -0.084683 -0.006227 -0.059956 -0.103441 0.111296 7C 1dxz 0.073593 -0.035486 -0.017975 -0.039976 -0.083563 0.065323 7C 1dyz 0.055824 0.049660 -0.045539 -0.079090 -0.147199 0.131240 7C 1dx2y2 -0.001184 -0.121195 0.032461 0.038489 -0.044531 -0.069226 7C 1dxy 0.041152 0.023887 -0.032946 -0.034545 0.013001 0.053024 7C 2dz2 -0.798444 0.025140 0.122582 -0.016712 0.333466 -0.056715 7C 2dxz 0.197562 0.713777 -0.575999 -0.027665 0.573929 0.328477 7C 2dyz -0.518399 0.123766 0.055744 0.085252 0.437633 -0.023880 7C 2dx2y2 0.323560 -0.111390 0.132376 0.150140 -0.419729 -0.177992 7C 2dxy 0.313151 0.288166 -0.091381 0.157114 -0.111796 0.066895 7C 1f0 -0.006660 -0.041430 0.077500 -0.000794 -0.085758 0.013419 7C 1f+1 -0.022073 -0.011631 0.027961 -0.000128 -0.011895 0.012321 7C 1f-1 0.087778 0.062859 -0.077937 -0.068013 -0.131677 0.163963 7C 1f+2 -0.032113 0.010082 -0.005829 0.023213 -0.003314 -0.039314 7C 1f-2 -0.041346 -0.031545 0.020626 -0.014386 -0.119514 0.041777 7C 1f+3 0.034644 -0.038693 0.027010 -0.035842 -0.005104 0.044904 7C 1f-3 0.011526 0.039423 0.000222 0.049124 0.030083 -0.011434 8C 1s -0.000265 0.001167 0.003657 0.008448 -0.001771 0.002440 8C 2s 0.000414 0.002635 0.011811 0.029026 -0.006037 0.007530 8C 3s 0.318663 -0.108404 0.071101 0.387409 -0.002179 0.105267 8C 4s -2.046720 0.456696 -0.788164 -2.874151 0.398342 -0.807932 8C 5s -1.219125 -0.085133 0.148572 0.937947 0.800162 0.741212 8C 1pz -0.088865 -0.025718 -0.072490 -0.084747 0.006402 -0.027432 8C 1px -0.010856 0.046776 0.034407 -0.040493 -0.021208 0.003327 8C 1py 0.069974 -0.056410 -0.003709 0.089898 0.017103 0.008775 8C 2pz 0.031653 0.193415 -0.088146 -0.144822 -0.054669 0.114425 8C 2px 0.378167 -0.794559 -0.623989 0.146225 0.152816 -0.212382 8C 2py -1.108489 -0.082364 -0.501205 -0.311059 0.132533 -0.176123 8C 3pz 0.342812 -0.147519 -0.001081 -0.029447 -0.078727 -0.058724 8C 3px 0.089447 -0.017939 -0.200364 -0.076267 -0.059071 -0.100780 8C 3py -0.377787 -0.108226 -0.100318 0.085792 0.272580 0.058821 8C 1dz2 -0.053680 -0.031548 -0.075084 -0.002925 0.006528 -0.026689 8C 1dxz -0.005119 0.075107 0.031815 -0.074827 -0.003620 -0.000788 8C 1dyz 0.011103 0.015338 0.039698 0.169698 -0.026771 0.050657 8C 1dx2y2 0.040851 -0.049550 0.012594 0.142125 -0.021794 0.014820 8C 1dxy 0.074485 -0.014044 0.068584 0.125939 0.012983 0.034530 8C 2dz2 0.034574 -0.071391 -0.016165 0.008372 0.010851 -0.033336 8C 2dxz -0.111659 -0.249119 -0.154170 0.042385 0.085414 -0.048642 8C 2dyz 0.375970 -0.115685 0.111580 -0.059153 0.057608 -0.028964 8C 2dx2y2 0.036918 0.199990 0.085951 -0.173369 -0.081858 0.072561 8C 2dxy -0.038252 -0.082590 -0.271493 -0.128938 0.018786 -0.051172 8C 1f0 0.063856 0.021102 0.052116 0.014369 -0.006659 0.009174 8C 1f+1 0.070090 -0.006484 0.048446 0.040064 -0.015559 0.019195 8C 1f-1 -0.120065 -0.027999 -0.104748 -0.053918 0.017436 -0.030156 8C 1f+2 -0.049688 0.028575 0.003644 -0.141955 0.004380 -0.027371 8C 1f-2 -0.073290 0.014009 -0.084157 -0.106513 0.019052 -0.028427 8C 1f+3 0.036091 0.055283 0.076755 0.030063 -0.012137 0.032672 8C 1f-3 0.006133 0.016389 0.071193 -0.000595 0.024238 0.025298 9C 1s 0.001709 0.002167 -0.000685 0.005923 0.008165 -0.008812 9C 2s 0.002192 0.004278 -0.001015 0.019400 0.028061 -0.030330 9C 3s -0.370926 0.085602 0.151340 0.153303 0.319925 -0.128792 9C 4s 2.112948 -0.790276 -0.571743 -1.129727 -2.634321 1.326560 9C 5s 1.515782 0.151645 0.022954 1.761833 0.308649 -2.944176 9C 1pz 0.119268 -0.013682 -0.053205 -0.036515 -0.071585 -0.014715 9C 1px 0.066044 0.069378 -0.087440 -0.016482 0.039560 0.049584 9C 1py 0.073207 -0.018137 -0.005314 -0.024530 -0.093395 0.002006 9C 2pz -0.484029 0.967535 -0.439951 -0.269411 0.405602 1.025761 9C 2px -1.301230 -0.515195 0.426609 -0.083709 0.229057 -0.194715 9C 2py -0.568533 -0.136767 0.251686 -0.157210 -0.222835 0.540877 9C 3pz -0.307096 0.119374 -0.027481 -0.360042 0.148209 0.615285 9C 3px -0.057863 -0.088610 0.089991 -0.091961 -0.067760 0.008005 9C 3py -0.377720 0.026389 0.042003 -0.211978 -0.062121 0.340175 9C 1dz2 0.053791 0.064220 -0.077833 -0.084135 -0.061199 0.155317 9C 1dxz 0.107788 0.028484 -0.037562 -0.035209 -0.067629 0.089892 9C 1dyz 0.059571 -0.016932 -0.032281 -0.123709 -0.201715 0.219460 9C 1dx2y2 -0.086048 -0.046167 0.042721 0.049727 0.060177 -0.114539 9C 1dxy 0.023009 0.106515 -0.062898 -0.020446 0.029001 0.042704 9C 2dz2 -0.041491 -0.271349 0.167478 0.148290 0.013426 -0.450517 9C 2dxz -0.135311 0.059293 -0.066775 0.079158 0.183887 -0.120951 9C 2dyz 0.317428 -0.049161 0.049584 0.189859 0.147616 -0.444883 9C 2dx2y2 0.309920 0.472856 -0.318839 -0.098805 0.066891 0.376078 9C 2dxy 0.164379 -0.118997 -0.048671 0.016959 -0.018741 0.022681 9C 1f0 -0.026440 -0.117597 0.089723 0.023041 -0.060217 -0.039776 9C 1f+1 0.023437 0.007545 -0.032076 -0.014407 0.003621 0.016129 9C 1f-1 -0.039095 -0.000744 0.027875 0.057125 0.075514 -0.083307 9C 1f+2 0.108992 -0.061381 0.013494 -0.043674 -0.159373 0.086327 9C 1f-2 -0.014743 -0.034759 0.033887 0.047181 -0.009642 -0.051632 9C 1f+3 0.046170 -0.012494 -0.007838 -0.028074 -0.091806 0.047992 9C 1f-3 -0.025401 0.071092 -0.056532 -0.012054 0.050035 0.015020 10H 1s 0.008814 -0.090757 -0.075595 0.035781 -0.109560 0.059133 10H 2s -1.214599 -0.463652 -0.375670 0.404286 0.787485 0.987999 10H 3s 0.207348 -0.071256 0.013186 -0.191940 -0.364924 -0.407921 10H 1pz -0.341684 -0.137059 -0.104736 0.073906 0.169507 0.221107 10H 1px 0.295256 0.061523 0.075483 -0.194599 -0.361516 -0.366353 10H 1py -0.199845 -0.131136 -0.160026 0.015977 -0.052486 0.073617 11H 1s 0.048443 0.080288 0.107496 -0.023001 0.109349 -0.002091 11H 2s 0.152292 -0.414100 -0.482070 0.472274 -0.049343 0.603422 11H 3s -0.148775 -0.007329 0.151510 -0.176739 -0.037067 -0.361119 11H 1pz 0.092743 -0.111931 -0.079959 0.098043 -0.060602 0.078211 11H 1px 0.012965 -0.060577 -0.132336 0.140629 0.068720 0.182642 11H 1py 0.018412 0.055506 0.125773 -0.155445 -0.077476 -0.290844 12H 1s 0.019453 0.021050 -0.021100 0.003826 -0.032865 -0.003892 12H 2s 0.126989 0.646218 0.271187 0.426413 0.917948 0.658984 12H 3s -0.028803 -0.146497 0.000043 -0.189543 -0.161630 -0.401756 12H 1pz 0.005677 0.099893 0.074545 -0.114576 -0.058798 -0.237827 12H 1px 0.007536 0.176625 0.111154 0.070099 0.285530 0.113644 12H 1py 0.045233 0.250194 0.077392 0.176135 0.314886 0.253673 13H 1s -0.081628 -0.040693 0.072494 -0.030846 0.044355 0.021336 13H 2s 0.569427 -0.640692 -0.012070 0.907283 0.025591 -0.021761 13H 3s -0.247753 0.141443 0.158494 -0.346160 -0.023149 0.128166 13H 1pz 0.111046 -0.235476 0.097402 0.239513 0.018845 0.029397 13H 1px -0.175117 0.060474 0.152479 -0.334962 0.015597 0.084558 13H 1py -0.116982 0.134305 -0.052764 -0.128107 -0.017686 -0.006155 14H 1s -0.040099 -0.022057 0.050809 -0.026110 -0.003812 0.022585 14H 2s 0.449285 0.349288 -0.826583 0.842130 -0.083250 -0.356749 14H 3s -0.118416 0.000886 0.085663 -0.261910 0.007385 0.127092 14H 1pz 0.051248 0.047188 -0.159717 0.130996 0.016081 -0.061733 14H 1px 0.197047 0.120855 -0.314297 0.364262 -0.043308 -0.146416 14H 1py -0.063483 -0.027481 0.082282 0.100499 -0.009079 -0.001173 15H 1s 0.074104 0.081165 -0.095053 0.031959 -0.039308 -0.043720 15H 2s -0.519398 -0.044585 0.327185 0.346744 0.008048 -0.129400 15H 3s 0.157087 -0.051551 -0.057619 -0.124504 0.011439 0.112570 15H 1pz 0.085449 0.042732 -0.043531 -0.214196 0.019036 0.059060 15H 1px -0.027883 -0.012664 0.068926 0.015723 -0.016115 0.002376 15H 1py 0.161309 -0.020655 -0.088075 -0.070499 -0.019959 0.038885 16H 1s 0.025221 -0.043115 -0.000314 0.006349 0.036778 -0.013244 16H 2s -0.139004 0.388456 -0.315856 -0.413243 0.167754 -0.452060 16H 3s 0.009437 -0.015501 -0.097184 -0.025841 0.080771 -0.082209 16H 1pz -0.049978 0.157168 -0.183769 -0.250948 0.137249 -0.262851 16H 1px 0.005572 0.011073 0.070642 0.065889 -0.075659 0.049164 16H 1py -0.041194 0.094676 -0.048680 -0.026479 0.016344 -0.060841 17H 1s 0.003000 -0.047660 -0.012859 -0.000695 0.045765 0.007951 17H 2s 0.046958 0.449806 0.012966 -0.189404 -0.089617 -0.401913 17H 3s -0.024169 0.007823 0.013187 -0.013853 0.058582 -0.053941 17H 1pz -0.013798 -0.134254 -0.015553 0.078063 0.012437 0.119483 17H 1px -0.040577 -0.113570 0.025202 0.117024 -0.034343 0.185268 17H 1py 0.002850 0.127008 0.012652 0.007410 -0.051551 -0.064475 18H 1s 0.004411 -0.048327 0.014386 0.000192 0.044557 -0.002549 18H 2s -0.003011 0.421689 -0.034649 -0.181980 -0.177317 0.375443 18H 3s -0.033177 -0.002480 -0.013484 -0.010678 0.041574 0.058092 18H 1pz -0.002500 0.129331 -0.023803 -0.075871 -0.039986 0.115378 18H 1px 0.018828 0.099751 0.016933 -0.111661 -0.011180 0.183221 18H 1py 0.012277 -0.113806 0.015958 -0.011563 0.066837 -0.048308 19H 1s 0.025867 -0.041894 0.000587 0.007782 0.033669 0.017180 19H 2s -0.145832 0.355808 0.332931 -0.414142 0.091056 0.482016 19H 3s 0.006202 -0.021842 0.099215 -0.026815 0.064540 0.091503 19H 1pz 0.051560 -0.137957 -0.190738 0.249353 -0.090284 -0.282979 19H 1px -0.007854 -0.016399 0.074990 -0.066781 0.061650 0.060710 19H 1py 0.042381 -0.089399 -0.060310 0.032071 -0.010073 -0.070428 20H 1s 0.077906 0.087425 0.090327 0.033427 -0.046987 0.037724 20H 2s -0.534270 -0.064427 -0.325213 0.344680 -0.001290 0.117100 20H 3s 0.159127 -0.045727 0.053672 -0.127152 0.031236 -0.109670 20H 1pz -0.089265 -0.048673 -0.042215 0.213588 -0.026828 0.050154 20H 1px 0.027791 0.010635 0.070016 -0.018465 0.013154 0.002618 20H 1py -0.165249 0.015923 -0.088141 0.069835 0.016227 0.038438 21H 1s -0.039140 -0.022211 -0.048743 -0.026842 0.000115 -0.022059 21H 2s 0.462206 0.374936 0.819982 0.849891 -0.155476 0.329421 21H 3s -0.119292 -0.003146 -0.086602 -0.263255 0.030443 -0.122962 21H 1pz -0.052480 -0.049264 -0.163422 -0.134065 -0.000537 -0.061867 21H 1px -0.203899 -0.133118 -0.309243 -0.366377 0.071876 -0.133326 21H 1py 0.065917 0.032102 0.082131 -0.100253 0.006577 0.003613 22H 1s -0.085973 -0.047026 -0.068000 -0.031700 0.047293 -0.015988 22H 2s 0.570851 -0.655727 -0.011302 0.899372 0.033690 -0.002858 22H 3s -0.252853 0.138173 -0.152509 -0.347387 0.002697 -0.122947 22H 1pz -0.107274 0.242849 0.101077 -0.234655 -0.027706 0.033947 22H 1px 0.180396 -0.057172 0.143456 0.335406 -0.028794 0.072233 22H 1py 0.115254 -0.141047 -0.056883 0.128842 0.021730 -0.007491 23H 1s 0.019478 0.023616 0.018798 0.003884 -0.032353 0.000398 23H 2s 0.124043 0.625069 -0.267998 0.418363 0.939362 -0.551643 23H 3s -0.040279 -0.147149 -0.000671 -0.181349 -0.196257 0.381206 23H 1pz -0.003922 -0.097400 0.080036 0.111281 0.083700 -0.233204 23H 1px -0.009390 -0.173225 0.107112 -0.066729 -0.281933 0.074010 23H 1py -0.044041 -0.243703 0.078590 -0.173212 -0.326340 0.217785 24H 1s 0.048656 0.079284 -0.105987 -0.021242 0.104795 0.015856 24H 2s 0.167794 -0.411142 0.497121 0.465749 0.001760 -0.617979 24H 3s -0.155701 -0.008827 -0.151633 -0.170835 -0.071001 0.356419 24H 1pz -0.097217 0.112332 -0.082847 -0.096577 0.053330 0.087008 24H 1px -0.020754 0.057575 -0.139905 -0.142013 -0.084000 0.179509 24H 1py -0.018780 -0.056727 0.127734 0.148956 0.098911 -0.281080 25H 1s 0.006797 -0.092119 0.073681 0.033145 -0.100378 -0.073460 25H 2s -1.213008 -0.463935 0.439311 0.382776 0.875564 -0.896057 25H 3s 0.202285 -0.065622 -0.028585 -0.185327 -0.392350 0.363694 25H 1pz 0.342017 0.136762 -0.122235 -0.068868 -0.196835 0.203028 25H 1px -0.294018 -0.063086 0.095723 0.188505 0.383891 -0.323351 25H 1py 0.193946 0.125711 -0.164101 -0.010733 0.041137 0.075864 26O 1s 0.000344 -0.002164 -0.002843 -0.003927 -0.008350 0.002004 26O 2s -0.002071 -0.009886 -0.011238 -0.012875 -0.028563 0.009295 26O 3s 0.078035 0.109188 0.093812 0.077586 0.182983 -0.108968 26O 4s -0.510189 -0.451328 -0.335441 0.008320 -0.344103 0.454009 26O 5s -0.481045 0.751157 0.881115 -1.283404 2.021345 -1.185636 26O 1pz -0.113752 0.057577 -0.018643 0.049427 -0.108259 -0.004315 26O 1px -0.021154 0.179156 0.101568 0.070898 0.114537 0.029688 26O 1py 0.096263 -0.357315 -0.185488 -0.045188 -0.082782 0.002319 26O 2pz 0.141868 -0.168889 -0.047079 -0.036112 0.010516 0.052715 26O 2px 0.240329 -0.183773 -0.158789 0.010768 -0.293438 -0.050082 26O 2py -0.070437 0.477756 0.204131 0.112898 0.034051 0.025324 26O 3pz -0.232993 0.042488 0.174067 -0.353764 0.087431 -0.205965 26O 3px 0.132352 0.302025 0.123767 0.183320 -0.537841 0.230248 26O 3py 0.036472 -0.108430 0.081098 -0.225032 -0.141436 -0.046299 26O 1dz2 0.004925 0.002869 0.002817 -0.004957 0.007166 -0.007947 26O 1dxz -0.001068 0.005710 0.004298 0.000065 0.000732 -0.003389 26O 1dyz 0.003138 0.007471 0.009946 -0.004633 0.000674 -0.013289 26O 1dx2y2 0.001021 0.001426 0.002336 0.003566 0.004450 0.005317 26O 1dxy 0.002557 -0.000676 0.001735 -0.000684 -0.001402 -0.003302 26O 2dz2 0.110090 0.060753 0.108780 -0.096807 0.032368 -0.108981 26O 2dxz 0.008456 0.148183 0.129454 -0.064060 0.155049 -0.088063 26O 2dyz 0.079854 0.188001 0.233478 -0.140153 0.082303 -0.212138 26O 2dx2y2 -0.022315 -0.140956 -0.062483 0.025695 0.029945 0.072128 26O 2dxy 0.008475 0.070206 0.074116 -0.048471 0.082754 -0.088244 26O 1f0 -0.004506 0.003265 0.003063 0.003882 0.011033 0.009526 26O 1f+1 0.006769 0.003746 0.008256 -0.009685 -0.005060 -0.009318 26O 1f-1 -0.007563 -0.009714 -0.006482 0.002221 -0.009186 0.010799 26O 1f+2 -0.000721 0.001772 0.001660 -0.003189 0.000563 -0.006675 26O 1f-2 0.009956 0.000269 -0.000068 -0.005170 -0.014081 -0.010573 26O 1f+3 0.000734 0.003593 -0.002460 -0.009091 0.008289 -0.006730 26O 1f-3 -0.002295 -0.002313 0.005022 0.000105 0.001851 0.001957 27O 1s -0.003270 0.001300 0.004123 -0.006016 -0.004240 0.004675 27O 2s -0.010784 0.002026 0.016038 -0.019563 -0.014146 0.016077 27O 3s 0.059726 0.029478 -0.146788 0.105384 0.089277 -0.112393 27O 4s -0.078654 -0.289124 0.543963 0.001640 -0.047715 0.230274 27O 5s 1.481209 0.099916 -0.928013 0.307124 -0.734743 -0.331454 27O 1pz -0.279198 -0.015459 0.219099 -0.059778 -0.138454 0.133860 27O 1px -0.020361 0.024230 -0.020256 0.065521 -0.008760 -0.019759 27O 1py -0.087345 0.086807 0.066554 0.020018 -0.188943 0.064402 27O 2pz 0.384573 -0.016507 -0.270628 0.073071 0.220878 -0.173487 27O 2px -0.114843 0.028686 -0.049864 -0.147033 0.062639 0.016600 27O 2py 0.233260 -0.049633 -0.161516 0.031610 0.229341 -0.132026 27O 3pz -0.007927 0.072752 -0.130627 -0.069831 -0.248876 0.055236 27O 3px -0.133669 0.331136 -0.118741 -0.202152 -0.190809 -0.062745 27O 3py -0.297235 -0.140713 0.227519 0.190014 0.043519 0.067122 27O 1dz2 0.001084 -0.003785 0.003475 -0.001441 0.001028 0.000253 27O 1dxz -0.000897 0.000508 0.001822 -0.004337 -0.002906 0.001910 27O 1dyz -0.001821 -0.002074 0.004703 0.003905 0.001688 -0.001496 27O 1dx2y2 -0.004649 -0.008403 0.001709 0.002480 0.000265 0.003046 27O 1dxy -0.005728 -0.002017 0.005250 0.001813 -0.000554 0.001965 27O 2dz2 -0.011099 -0.031700 0.046897 0.004022 0.029487 -0.000964 27O 2dxz 0.070921 0.041927 -0.087675 -0.024543 -0.066009 -0.029593 27O 2dyz -0.044861 -0.050120 0.132907 0.099380 0.050153 -0.002891 27O 2dx2y2 -0.045864 -0.139244 0.108557 0.067023 0.069433 0.033654 27O 2dxy -0.173095 -0.069895 0.175372 -0.020375 0.093042 0.067538 27O 1f0 -0.002949 0.002146 -0.000799 0.001159 -0.003278 -0.001114 27O 1f+1 0.002464 0.002156 0.004492 0.003075 0.000362 -0.002844 27O 1f-1 -0.002113 0.001809 -0.005850 -0.003704 -0.002240 0.001779 27O 1f+2 0.005660 0.006959 -0.007710 -0.003821 -0.003646 0.002000 27O 1f-2 0.004202 -0.003152 -0.002388 0.008689 -0.001509 -0.002272 27O 1f+3 -0.006434 -0.003017 0.003998 -0.012359 -0.001389 0.005640 27O 1f-3 -0.006680 -0.000007 0.010309 -0.013275 0.006546 0.001071 28O 1s -0.002860 -0.001809 -0.006071 -0.003845 -0.007663 -0.005085 28O 2s -0.004600 -0.000903 -0.017827 -0.012992 -0.023562 -0.017668 28O 3s -0.047449 -0.080876 0.047772 0.075978 0.099852 0.121070 28O 4s 0.518483 0.609045 0.397548 0.040945 0.101750 -0.281329 28O 5s -1.399026 -0.076341 0.071036 -0.933859 1.522647 0.099257 28O 1pz -0.109830 -0.010495 -0.061943 0.106772 -0.142761 0.073490 28O 1px 0.032995 0.099214 -0.004516 -0.004573 -0.095874 -0.094043 28O 1py 0.237038 0.000690 0.110403 -0.070827 0.215563 -0.023519 28O 2pz 0.168055 -0.147174 -0.122876 -0.101381 0.004218 -0.042287 28O 2px 0.112927 0.092842 0.238447 -0.030310 0.323030 0.058131 28O 2py -0.278017 0.012291 -0.180036 0.117614 -0.366751 0.051360 28O 3pz 0.044502 0.391680 -0.068148 -0.235358 -0.331934 -0.034711 28O 3px -0.107517 0.050392 0.044267 -0.125643 0.488402 -0.117571 28O 3py 0.205597 0.163747 -0.029895 -0.317941 0.250134 -0.147661 28O 1dz2 -0.007086 -0.007648 0.001704 -0.001226 -0.004114 -0.003030 28O 1dxz 0.006330 0.004105 0.006881 -0.002841 0.001023 -0.006021 28O 1dyz -0.007944 -0.002336 0.005093 -0.004903 0.003690 -0.009376 28O 1dx2y2 0.001627 -0.007625 -0.004798 0.002650 -0.001260 0.005480 28O 1dxy -0.000697 0.001541 -0.000360 0.000947 -0.000314 -0.002729 28O 2dz2 -0.205904 -0.102195 -0.078439 -0.105018 0.010803 -0.006692 28O 2dxz 0.059103 -0.022881 -0.027132 -0.011191 -0.110132 -0.023446 28O 2dyz -0.176871 -0.047796 -0.044899 -0.139476 0.044659 -0.048191 28O 2dx2y2 0.154351 -0.029389 0.014887 0.033581 -0.017947 -0.012108 28O 2dxy 0.106818 0.053180 0.012663 -0.004766 -0.024533 -0.050849 28O 1f0 0.006112 -0.006158 -0.007565 -0.006368 -0.008649 -0.010864 28O 1f+1 -0.005712 0.002386 0.000680 0.003869 0.010146 0.012194 28O 1f-1 0.010670 0.004614 -0.002837 -0.001073 -0.004351 0.001336 28O 1f+2 -0.008550 -0.011473 -0.008134 0.001016 -0.005032 0.000895 28O 1f-2 -0.000320 0.001646 -0.002793 0.006112 0.011551 0.011965 28O 1f+3 -0.005102 -0.007548 -0.012088 0.001673 -0.005983 0.005820 28O 1f-3 0.002938 -0.000660 0.003044 0.001374 -0.001015 -0.001142 29O 1s 0.007849 -0.000092 -0.006277 -0.022116 0.007122 -0.011775 29O 2s 0.027068 -0.004512 -0.019683 -0.071936 0.023814 -0.035819 29O 3s -0.181859 0.129296 0.086570 0.382758 -0.142700 0.129723 29O 4s 0.268168 -0.443714 -0.044642 -0.329642 0.257613 -0.004300 29O 5s -0.063246 -0.124518 0.298416 0.497992 -0.584337 0.767263 29O 1pz 0.006999 -0.027670 -0.127998 -0.051494 0.087068 -0.093876 29O 1px -0.007652 0.080335 0.110313 0.139610 -0.239445 0.211169 29O 1py -0.129135 0.220440 0.085181 0.229991 -0.175675 0.081150 29O 2pz -0.077225 0.083845 0.048680 -0.059051 -0.015510 0.035218 29O 2px -0.007176 -0.247993 -0.152657 -0.134573 0.358773 -0.181257 29O 2py 0.185414 -0.159028 -0.188050 -0.485159 0.303652 -0.319583 29O 3pz -0.043904 -0.000773 -0.232916 -0.120734 0.074880 -0.093801 29O 3px 0.015416 -0.094416 0.031729 0.125671 -0.008734 0.122852 29O 3py -0.122478 0.326176 -0.039568 0.056707 -0.077333 -0.168343 29O 1dz2 -0.002306 0.003555 -0.002829 -0.005353 0.002758 -0.004171 29O 1dxz 0.002138 0.003787 0.001550 -0.003032 0.000256 -0.005553 29O 1dyz -0.002953 0.001401 -0.001191 -0.003101 0.003472 -0.001754 29O 1dx2y2 -0.002969 -0.000063 0.003171 0.005467 -0.003101 0.004087 29O 1dxy -0.000607 -0.004428 0.002679 0.001136 0.002052 0.001959 29O 2dz2 0.017349 -0.063886 0.070702 0.042229 -0.041243 0.085352 29O 2dxz 0.007294 -0.033445 0.029941 0.013244 -0.003358 0.023361 29O 2dyz 0.015625 0.013465 0.079880 0.059015 -0.044123 0.029651 29O 2dx2y2 -0.011706 -0.005825 -0.020629 -0.044087 0.025876 -0.025487 29O 2dxy 0.009591 0.059592 0.035115 -0.040288 0.001391 -0.064791 29O 1f0 -0.001503 0.011801 -0.007564 -0.010434 0.001955 -0.012744 29O 1f+1 -0.000176 -0.004017 0.002897 0.004674 -0.002438 0.007133 29O 1f-1 -0.004588 0.017118 -0.009800 -0.012321 -0.000180 -0.012841 29O 1f+2 0.003091 -0.002585 0.003486 0.002454 -0.003307 0.003140 29O 1f-2 0.000498 0.014272 0.005070 -0.004369 -0.005500 -0.008451 29O 1f+3 0.002828 -0.003051 -0.002707 -0.005651 0.002468 -0.001570 29O 1f-3 -0.000824 -0.003220 -0.002965 0.002089 -0.001007 0.006174 30O 1s -0.002957 -0.002826 0.000691 -0.005477 -0.003768 -0.002349 30O 2s -0.009424 -0.005782 -0.000791 -0.018121 -0.013983 -0.009535 30O 3s 0.046539 -0.019073 0.072177 0.096897 0.115466 0.094683 30O 4s -0.042863 0.358372 -0.572256 0.028848 -0.264551 -0.346837 30O 5s 1.580489 -0.638629 0.328588 0.199097 -0.391419 0.283003 30O 1pz -0.109023 0.194946 -0.198143 0.057466 -0.136758 -0.000560 30O 1px -0.047262 0.116018 -0.066480 -0.053817 -0.056671 -0.007384 30O 1py -0.026720 0.143189 -0.233758 0.011290 -0.137716 -0.055188 30O 2pz 0.040061 -0.323193 0.393271 -0.117727 0.246084 0.054491 30O 2px 0.142178 -0.047555 -0.086170 0.100421 -0.004406 -0.054792 30O 2py 0.162844 -0.211506 0.201512 0.044000 0.102549 0.043276 30O 3pz -0.034084 0.310846 -0.068642 -0.156840 -0.370828 -0.049238 30O 3px 0.307646 -0.095960 0.009075 -0.008576 -0.044946 0.096333 30O 3py -0.120837 -0.044751 -0.346671 0.283159 0.273439 0.008641 30O 1dz2 0.003852 0.003780 -0.008487 0.000808 -0.001744 -0.002181 30O 1dxz 0.005359 -0.000506 -0.004542 -0.002273 0.001717 -0.001461 30O 1dyz -0.005611 0.005284 -0.002337 -0.000894 -0.001010 -0.001609 30O 1dx2y2 0.001539 0.003513 -0.001166 0.000496 0.003529 -0.002241 30O 1dxy -0.001280 -0.001354 0.007834 0.003679 0.002241 -0.000543 30O 2dz2 0.096226 0.002608 -0.057565 0.044344 0.042660 -0.037647 30O 2dxz 0.049867 0.004103 -0.021360 -0.017665 -0.013767 -0.013349 30O 2dyz -0.174943 0.085686 -0.112404 0.030166 0.015775 -0.030260 30O 2dx2y2 -0.082006 0.117381 -0.131255 0.005943 0.079395 -0.051587 30O 2dxy 0.039438 -0.015766 -0.073795 0.090680 0.018279 -0.024044 30O 1f0 0.005714 -0.000173 -0.007907 0.004740 -0.002500 -0.004244 30O 1f+1 -0.000644 0.005545 0.002838 -0.002766 0.004252 -0.004605 30O 1f-1 0.001313 0.000138 0.004922 0.003643 -0.000521 0.001110 30O 1f+2 0.001552 -0.009872 0.004592 0.009780 -0.004961 0.003770 30O 1f-2 -0.004339 -0.004251 0.006989 -0.008427 0.003801 0.005188 30O 1f+3 0.002540 0.001379 -0.005487 0.011946 -0.003090 -0.003634 30O 1f-3 0.004762 0.000905 -0.005229 0.010655 0.004356 -0.005947 31O 1s -0.003116 -0.003157 -0.000523 -0.005321 -0.004156 0.002093 31O 2s -0.009885 -0.006731 0.001318 -0.017560 -0.015635 0.008533 31O 3s 0.047631 -0.016321 -0.074449 0.092769 0.133192 -0.084689 31O 4s -0.031121 0.378415 0.573695 0.038492 -0.335658 0.318585 31O 5s 1.586061 -0.637961 -0.432688 0.176205 -0.298169 -0.368040 31O 1pz 0.104656 -0.197602 -0.191087 -0.056204 0.140960 0.023213 31O 1px 0.043247 -0.121812 -0.066656 0.052434 0.057882 -0.002723 31O 1py 0.024821 -0.144586 -0.226090 -0.011986 0.152735 -0.032881 31O 2pz -0.029822 0.333914 0.375622 0.116750 -0.261859 0.012181 31O 2px -0.143236 0.045193 -0.080047 -0.098787 0.015607 -0.049343 31O 2py -0.166247 0.204309 0.198786 -0.043066 -0.118936 0.025325 31O 3pz 0.033409 -0.311606 -0.063026 0.150008 0.385058 -0.010847 31O 3px -0.313776 0.088058 0.035464 0.019462 0.013728 0.111430 31O 3py 0.124714 0.049635 -0.344267 -0.268875 -0.270841 -0.002478 31O 1dz2 0.003822 0.003841 0.008558 0.000849 -0.002423 0.001934 31O 1dxz 0.005431 -0.000111 0.004636 -0.002143 0.001407 0.001913 31O 1dyz -0.005699 0.005264 0.002424 -0.000972 -0.001217 0.001576 31O 1dx2y2 0.001441 0.003268 0.001242 0.000454 0.002966 0.002519 31O 1dxy -0.001538 -0.001875 -0.007692 0.003606 0.002178 0.000683 31O 2dz2 0.094986 0.001640 0.057595 0.045725 0.034270 0.042703 31O 2dxz 0.049545 0.004713 0.022356 -0.016005 -0.016877 0.013773 31O 2dyz -0.173592 0.089924 0.119925 0.030024 0.008688 0.034066 31O 2dx2y2 -0.078716 0.123522 0.137842 0.006208 0.066453 0.062129 31O 2dxy 0.040663 -0.014716 0.072019 0.088766 0.014229 0.022445 31O 1f0 -0.006185 -0.000453 -0.007529 -0.004874 0.003175 -0.003769 31O 1f+1 0.000577 -0.005529 0.002962 0.002465 -0.003435 -0.005204 31O 1f-1 -0.001014 0.000153 0.005244 -0.003581 0.000358 0.001330 31O 1f+2 -0.001435 0.010060 0.004681 -0.009653 0.004305 0.004612 31O 1f-2 0.004436 0.004339 0.006666 0.008498 -0.004803 0.004495 31O 1f+3 -0.002462 -0.001266 -0.005379 -0.011916 0.003885 -0.002961 31O 1f-3 -0.004903 -0.001048 -0.005068 -0.010874 -0.003405 -0.006389 32O 1s 0.007448 -0.000677 0.006030 -0.021727 0.004274 0.012828 32O 2s 0.026036 -0.006098 0.018838 -0.070632 0.014956 0.039377 32O 3s -0.183100 0.130390 -0.081286 0.375070 -0.105596 -0.152028 32O 4s 0.288752 -0.423301 0.038826 -0.318003 0.239775 0.042272 32O 5s -0.037575 -0.095946 -0.298476 0.476669 -0.419405 -0.829753 32O 1pz -0.014007 0.034844 -0.133218 0.055910 -0.073761 -0.107583 32O 1px -0.005780 -0.092394 0.109087 -0.131892 0.184040 0.236022 32O 1py 0.135934 -0.213864 0.078420 -0.224271 0.148669 0.105870 32O 2pz 0.073719 -0.084283 0.043592 0.050708 0.007155 0.038085 32O 2px 0.010804 0.257276 -0.155274 0.124331 -0.305698 -0.221084 32O 2py -0.178848 0.164773 -0.179708 0.476600 -0.225290 -0.360901 32O 3pz 0.033372 0.014867 -0.245035 0.127823 -0.069098 -0.108360 32O 3px -0.037895 0.076591 0.026201 -0.124743 -0.024400 0.121350 32O 3py 0.141398 -0.308627 -0.044459 -0.053789 0.101524 -0.154363 32O 1dz2 -0.002273 0.003203 0.002980 -0.005362 0.001953 0.004628 32O 1dxz 0.001731 0.003694 -0.001915 -0.002755 -0.000998 0.005399 32O 1dyz -0.002703 0.001365 0.001643 -0.003203 0.003303 0.002544 32O 1dx2y2 -0.003002 0.000071 -0.003222 0.005402 -0.002221 -0.004565 32O 1dxy -0.000197 -0.004138 -0.002562 0.001101 0.002588 -0.001531 32O 2dz2 0.018325 -0.055281 -0.073916 0.038980 -0.024026 -0.089668 32O 2dxz 0.016790 -0.025638 -0.027190 0.013251 0.008368 -0.020904 32O 2dyz 0.008015 0.010350 -0.088427 0.061665 -0.044953 -0.042622 32O 2dx2y2 -0.014263 -0.009347 0.022329 -0.045311 0.021808 0.029774 32O 2dxy 0.001530 0.054594 -0.038813 -0.039402 -0.011090 0.062578 32O 1f0 0.002137 -0.009739 -0.006924 0.009625 0.000614 -0.012049 32O 1f+1 -0.000395 0.004283 0.002762 -0.004882 0.000661 0.007867 32O 1f-1 0.005129 -0.016441 -0.010310 0.012899 0.002449 -0.013563 32O 1f+2 -0.003470 0.002816 0.003998 -0.003078 0.002475 0.004306 32O 1f-2 0.001099 -0.013349 0.006054 0.003678 0.007479 -0.006927 32O 1f+3 -0.003359 0.002379 -0.002515 0.005702 -0.001869 -0.002387 32O 1f-3 0.000036 0.002727 -0.003370 -0.001664 -0.000430 0.005815 33O 1s -0.002943 -0.001821 0.006051 -0.003741 -0.008369 0.004232 33O 2s -0.004867 -0.001021 0.017610 -0.012592 -0.026167 0.015073 33O 3s -0.045720 -0.078260 -0.044609 0.072077 0.120370 -0.110442 33O 4s 0.517262 0.592443 -0.414269 0.056193 0.044454 0.291300 33O 5s -1.414546 -0.061964 0.027514 -0.932571 1.532093 0.115760 33O 1pz 0.103104 0.003347 -0.057519 -0.102952 0.122334 0.092703 33O 1px -0.036701 -0.102885 0.002875 0.003033 0.104190 -0.082972 33O 1py -0.229854 0.003636 0.106849 0.066222 -0.207825 -0.050612 33O 2pz -0.158192 0.155684 -0.122944 0.101243 0.012730 -0.043974 33O 2px -0.106789 -0.083321 0.229323 0.026353 -0.319136 0.019153 33O 2py 0.268643 -0.016978 -0.170917 -0.110056 0.353386 0.098031 33O 3pz -0.071680 -0.425591 -0.052373 0.232772 0.309948 -0.003861 33O 3px 0.118921 -0.047916 0.030638 0.125501 -0.467721 -0.181465 33O 3py -0.210277 -0.176045 -0.036410 0.306781 -0.224691 -0.186208 33O 1dz2 -0.006820 -0.007422 -0.001344 -0.001230 -0.003876 0.002624 33O 1dxz 0.006420 0.004047 -0.006940 -0.002640 0.000168 0.006234 33O 1dyz -0.007923 -0.002174 -0.004782 -0.004560 0.002758 0.009804 33O 1dx2y2 0.001565 -0.007554 0.004962 0.002482 -0.000521 -0.005599 33O 1dxy -0.000598 0.001660 0.000285 0.000990 -0.000748 0.002698 33O 2dz2 -0.203685 -0.097462 0.089581 -0.105370 0.016125 0.010350 33O 2dxz 0.062243 -0.019679 0.023962 -0.010509 -0.108530 0.010265 33O 2dyz -0.175713 -0.040479 0.050911 -0.139750 0.046213 0.057380 33O 2dx2y2 0.153584 -0.030317 -0.018342 0.034959 -0.020396 0.009387 33O 2dxy 0.106508 0.052869 -0.017424 -0.002735 -0.034335 0.047047 33O 1f0 -0.006258 0.005804 -0.007334 0.005911 0.009739 -0.009726 33O 1f+1 0.005522 -0.002375 0.000166 -0.003736 -0.011136 0.010866 33O 1f-1 -0.010479 -0.004248 -0.002237 0.001255 0.004344 0.001839 33O 1f+2 0.008221 0.011175 -0.008394 -0.000855 0.004713 0.001489 33O 1f-2 0.000300 -0.001338 -0.003334 -0.005925 -0.012428 0.010691 33O 1f+3 0.004937 0.007383 -0.012238 -0.001563 0.005048 0.006635 33O 1f-3 -0.002634 0.000806 0.003061 -0.001340 0.001241 -0.000955 34O 1s -0.003248 0.001211 -0.004128 -0.006067 -0.003110 -0.005113 34O 2s -0.010752 0.001623 -0.016047 -0.019741 -0.010253 -0.017552 34O 3s 0.060200 0.033768 0.146999 0.106508 0.062559 0.122114 34O 4s -0.086673 -0.311012 -0.540460 0.000175 0.002225 -0.235512 34O 5s 1.510603 0.185586 0.833051 0.320615 -0.795054 0.218075 34O 1pz 0.288364 0.028000 0.223148 0.066121 0.111704 0.154276 34O 1px 0.021103 -0.024082 -0.019035 -0.065210 0.014651 -0.017172 34O 1py 0.085271 -0.091128 0.074700 -0.017439 0.170838 0.090376 34O 2pz -0.394870 0.002711 -0.278219 -0.081540 -0.183969 -0.205467 34O 2px 0.114419 -0.026651 -0.060567 0.148367 -0.068798 0.004242 34O 2py -0.233253 0.049949 -0.166515 -0.037162 -0.196299 -0.161782 34O 3pz 0.011226 -0.071908 -0.111428 0.075964 0.234253 0.094490 34O 3px 0.138602 -0.309522 -0.121904 0.204620 0.204803 -0.044765 34O 3py 0.298001 0.142533 0.209550 -0.186589 -0.056606 0.061305 34O 1dz2 0.001122 -0.003828 -0.003326 -0.001478 0.001346 -0.000054 34O 1dxz -0.000954 0.000410 -0.001968 -0.004457 -0.002518 -0.002237 34O 1dyz -0.001971 -0.002457 -0.004578 0.003925 0.001407 0.001624 34O 1dx2y2 -0.004798 -0.008557 -0.001367 0.002310 0.000717 -0.002998 34O 1dxy -0.005866 -0.002226 -0.005127 0.001749 -0.000035 -0.002100 34O 2dz2 -0.012036 -0.034885 -0.043544 0.003347 0.031422 0.005804 34O 2dxz 0.074877 0.048766 0.083977 -0.023168 -0.070769 0.023631 34O 2dyz -0.049151 -0.059088 -0.129769 0.099770 0.050235 0.007005 34O 2dx2y2 -0.048718 -0.143064 -0.104317 0.066190 0.076377 -0.025528 34O 2dxy -0.178104 -0.081607 -0.167310 -0.022437 0.106042 -0.055136 34O 1f0 0.002767 -0.002353 -0.000651 -0.001189 0.003259 -0.000703 34O 1f+1 -0.002526 -0.002446 0.004894 -0.003211 -0.000098 -0.002867 34O 1f-1 0.001927 -0.002065 -0.005996 0.003757 0.001994 0.001932 34O 1f+2 -0.005833 -0.007364 -0.007663 0.003727 0.003697 0.002400 34O 1f-2 -0.004271 0.003145 -0.002050 -0.008746 0.001747 -0.001789 34O 1f+3 0.006384 0.002852 0.003709 0.012424 0.000454 0.005510 34O 1f-3 0.006868 0.000150 0.010017 0.013129 -0.007010 -0.000236 35O 1s 0.000429 -0.001987 0.002694 -0.004043 -0.007551 -0.002979 35O 2s -0.001723 -0.009171 0.010864 -0.013330 -0.025480 -0.012608 35O 3s 0.074302 0.102264 -0.094301 0.081708 0.155083 0.129571 35O 4s -0.494156 -0.426094 0.352142 -0.007402 -0.249602 -0.491687 35O 5s -0.483774 0.732523 -0.821308 -1.242071 1.797431 1.468963 35O 1pz 0.122602 -0.050966 -0.011673 -0.044418 0.109220 0.011529 35O 1px 0.023543 -0.175104 0.104849 -0.070528 -0.112236 0.017756 35O 1py -0.101858 0.353292 -0.195897 0.043116 0.079482 0.009951 35O 2pz -0.152315 0.160080 -0.054797 0.031668 -0.021954 0.048538 35O 2px -0.238436 0.184605 -0.151698 -0.011391 0.294367 -0.011965 35O 2py 0.080670 -0.469445 0.224491 -0.108469 -0.031514 0.026296 35O 3pz 0.248725 -0.028128 0.168110 0.351535 -0.056805 -0.219910 35O 3px -0.129244 -0.298413 0.144811 -0.177986 0.489123 0.304412 35O 3py -0.030661 0.114722 0.075495 0.219905 0.144299 -0.030569 35O 1dz2 0.004918 0.003027 -0.002844 -0.004767 0.006099 0.008906 35O 1dxz -0.001184 0.005603 -0.004345 0.000053 0.000426 0.003524 35O 1dyz 0.002999 0.007231 -0.010184 -0.004290 -0.000853 0.013356 35O 1dx2y2 0.000856 0.001091 -0.002348 0.003374 0.004913 -0.004723 35O 1dxy 0.002511 -0.000886 -0.001615 -0.000564 -0.001713 0.003193 35O 2dz2 0.107243 0.058659 -0.111030 -0.092751 0.018918 0.113635 35O 2dxz 0.011474 0.147339 -0.126959 -0.060061 0.140300 0.109116 35O 2dyz 0.077363 0.182194 -0.237012 -0.133231 0.052505 0.224381 35O 2dx2y2 -0.022460 -0.141104 0.065758 0.023058 0.038537 -0.067374 35O 2dxy 0.007585 0.067579 -0.071961 -0.045142 0.070189 0.099481 35O 1f0 0.004575 -0.003112 0.002752 -0.003805 -0.011592 0.008144 35O 1f+1 -0.006560 -0.003810 0.008759 0.009363 0.005750 -0.008845 35O 1f-1 0.007363 0.009474 -0.006720 -0.001867 0.007379 0.011924 35O 1f+2 0.000766 -0.001809 0.001664 0.003068 0.000041 -0.006699 35O 1f-2 -0.009941 -0.000318 0.000686 0.005145 0.015006 -0.008951 35O 1f+3 -0.000774 -0.003682 -0.002144 0.008929 -0.006927 -0.008065 35O 1f-3 0.001971 0.002126 0.004559 -0.000024 -0.002217 0.001559 462 463 464 465 466 467 2.71351 2.71829 2.72390 2.75014 2.75092 2.75618 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s 0.000821 0.001410 0.001226 -0.000297 -0.000728 -0.000042 0Rh 2s -0.006165 -0.012610 -0.008753 0.001335 0.001481 -0.000571 0Rh 3s 0.001110 0.000672 0.001925 -0.000942 -0.003408 -0.000597 0Rh 4s 0.032183 0.065734 0.045270 -0.006799 -0.007698 0.003001 0Rh 5s -0.062836 -0.134682 -0.080557 0.006928 -0.001733 -0.009548 0Rh 6s 0.044363 0.112074 0.017938 0.028448 0.066567 0.019392 0Rh 7s -0.120324 -0.208441 -0.329421 -0.254930 -0.268842 -0.062996 0Rh 8s 0.119993 -0.094497 0.256339 0.057889 -0.101276 -0.025009 0Rh 1pz -0.004941 -0.000147 -0.003230 -0.008394 -0.003569 -0.002742 0Rh 1px -0.003874 0.000198 0.004113 -0.004076 0.000902 0.001436 0Rh 1py 0.008982 0.002256 -0.003704 -0.001974 -0.006504 -0.006972 0Rh 2pz 0.017510 0.000450 0.012373 0.031220 0.012818 0.009662 0Rh 2px 0.013902 -0.000323 -0.016850 0.014536 -0.003338 -0.005260 0Rh 2py -0.032215 -0.008228 0.013434 0.007545 0.023509 0.026128 0Rh 3pz -0.011165 0.001469 -0.027436 -0.050480 -0.012630 -0.004412 0Rh 3px -0.012429 -0.007782 0.059098 -0.010615 0.004457 0.006473 0Rh 3py 0.028335 0.009983 -0.014968 -0.016490 -0.023878 -0.044952 0Rh 4pz -0.078263 -0.010498 0.024471 -0.016840 -0.031795 -0.053812 0Rh 4px -0.048416 0.033594 -0.124314 -0.062599 0.010203 0.013636 0Rh 4py 0.113433 0.018630 -0.033864 0.015037 -0.071833 -0.011984 0Rh 5pz 0.143586 0.019465 -0.047460 0.044253 0.019645 0.111729 0Rh 5px 0.093730 -0.053741 0.246833 0.125579 -0.044048 -0.039036 0Rh 5py -0.212172 -0.038148 0.065020 -0.030705 0.136737 0.074416 0Rh 6pz -0.074657 0.082484 0.310236 -0.190614 0.322704 -0.107596 0Rh 6px -0.085989 0.006377 -0.699187 -0.320562 0.248142 0.303210 0Rh 6py 0.118471 -0.171405 -0.033562 0.035134 0.138635 -0.473710 0Rh 1dz2 -0.008933 -0.017011 0.011548 0.002690 -0.007046 -0.008749 0Rh 1dxz 0.009400 -0.023897 0.019929 -0.010478 -0.009888 -0.000452 0Rh 1dyz 0.010927 0.000151 -0.009227 0.005740 -0.008096 0.009623 0Rh 1dx2y2 0.017352 0.019810 -0.020519 -0.001025 0.011296 0.009056 0Rh 1dxy -0.012822 -0.006435 0.002862 -0.007260 -0.001038 -0.008842 0Rh 2dz2 -0.002201 0.000326 0.000676 -0.001570 0.003069 -0.001659 0Rh 2dxz 0.001203 -0.000206 0.000297 -0.001122 0.000155 0.001006 0Rh 2dyz -0.001569 0.002518 0.001552 -0.001876 0.004526 -0.001756 0Rh 2dx2y2 0.001494 -0.000616 -0.000415 0.001000 -0.000538 -0.000891 0Rh 2dxy -0.002268 -0.001481 0.001612 -0.001132 0.001371 -0.001529 0Rh 3dz2 0.036186 0.048208 -0.037241 -0.000665 0.006588 0.033420 0Rh 3dxz -0.032919 0.070929 -0.060060 0.035893 0.028331 -0.003221 0Rh 3dyz -0.024655 -0.012100 0.019995 -0.008266 0.002729 -0.020236 0Rh 3dx2y2 -0.057546 -0.055139 0.062116 -0.001420 -0.030711 -0.022640 0Rh 3dxy 0.047943 0.025477 -0.015672 0.026642 -0.003324 0.033128 0Rh 4dz2 -0.037723 0.000445 0.019964 -0.024472 0.046653 -0.030397 0Rh 4dxz 0.021657 -0.011129 0.015489 -0.019981 -0.000277 0.015271 0Rh 4dyz -0.022526 0.041221 0.020947 -0.027039 0.072948 -0.025044 0Rh 4dx2y2 0.028916 -0.004242 -0.013047 0.012938 -0.006011 -0.010379 0Rh 4dxy -0.040401 -0.023969 0.025742 -0.021685 0.022760 -0.027065 0Rh 5dz2 0.036220 -0.182579 0.007825 0.105969 -0.251538 0.026620 0Rh 5dxz 0.008898 -0.226422 0.134042 -0.058776 -0.097612 -0.060652 0Rh 5dyz 0.196837 -0.166377 -0.172673 0.122546 -0.365822 0.184388 0Rh 5dx2y2 0.089437 0.251169 -0.197300 -0.027605 0.161151 0.129918 0Rh 5dxy 0.010218 0.026363 -0.064040 0.014461 -0.105720 -0.025759 0Rh 1f0 -0.064302 0.001086 0.001929 0.014946 0.001413 -0.020677 0Rh 1f+1 0.003948 0.022682 0.017827 -0.014292 0.035322 0.008451 0Rh 1f-1 -0.028804 0.000420 0.040542 0.042698 0.106100 -0.029139 0Rh 1f+2 -0.071875 0.028886 0.018687 -0.018628 -0.091558 -0.010175 0Rh 1f-2 -0.086549 0.028441 0.026900 -0.002552 0.049228 -0.048688 0Rh 1f+3 0.068318 0.006099 0.021391 -0.004831 0.016156 0.034248 0Rh 1f-3 -0.025224 0.022011 0.013121 -0.020841 0.010687 -0.017462 1Rh 1s -0.000863 -0.001249 0.001279 -0.000754 -0.000285 0.000103 1Rh 2s 0.006485 0.011406 -0.009308 0.001811 0.000689 0.000438 1Rh 3s -0.001162 -0.000454 0.001903 -0.003360 -0.001265 0.000875 1Rh 4s -0.033838 -0.059500 0.048159 -0.009422 -0.003441 -0.002319 1Rh 5s 0.065896 0.123250 -0.086687 0.002212 -0.001681 0.009696 1Rh 6s -0.045542 -0.108021 0.023609 0.061081 0.041735 -0.025729 1Rh 7s 0.128822 0.178657 -0.336220 -0.238137 -0.292679 0.097314 1Rh 8s -0.126700 0.115956 0.244039 -0.110332 0.049222 0.027165 1Rh 1pz -0.004858 -0.000111 0.003022 0.003490 0.009009 -0.003505 1Rh 1px -0.003772 -0.000250 -0.004278 -0.000973 0.004064 0.001034 1Rh 1py 0.008998 0.002473 0.003799 0.006543 0.001866 -0.006294 1Rh 2pz 0.017220 0.000264 -0.011613 -0.012492 -0.033472 0.012478 1Rh 2px 0.013487 0.001486 0.017419 0.003502 -0.014484 -0.003808 1Rh 2py -0.032274 -0.009006 -0.013766 -0.023632 -0.007104 0.023628 1Rh 3pz -0.011041 0.002839 0.026462 0.011332 0.053419 -0.008510 1Rh 3px -0.010991 -0.013581 -0.059088 -0.002682 0.010410 0.005032 1Rh 3py 0.028476 0.010602 0.015119 0.023716 0.015022 -0.041304 1Rh 4pz -0.076795 -0.014881 -0.026045 0.035054 0.020884 -0.057188 1Rh 4px -0.051455 0.044622 0.120093 -0.018628 0.062844 0.009246 1Rh 4py 0.113202 0.021922 0.035622 0.073199 -0.012181 -0.009466 1Rh 5pz 0.141182 0.028237 0.051586 -0.026310 -0.051606 0.118506 1Rh 5px 0.100018 -0.075519 -0.238557 0.058975 -0.124880 -0.031529 1Rh 5py -0.211330 -0.045936 -0.068335 -0.138149 0.026050 0.070978 1Rh 6pz -0.071413 0.041612 -0.338091 -0.316498 0.181860 -0.091403 1Rh 6px -0.105719 0.070082 0.678651 -0.274087 0.312799 0.304071 1Rh 6py 0.117019 -0.159838 0.051884 -0.157253 -0.042983 -0.469390 1Rh 1dz2 0.008791 0.017788 0.010416 -0.007673 0.001813 0.008464 1Rh 1dxz -0.010010 0.025402 0.018176 -0.010164 -0.012255 0.001173 1Rh 1dyz -0.010766 -0.000186 -0.009475 -0.009220 0.005144 -0.008249 1Rh 1dx2y2 -0.016870 -0.022047 -0.019921 0.011976 0.000699 -0.010008 1Rh 1dxy 0.012659 0.007012 0.002406 -0.001188 -0.006885 0.008527 1Rh 2dz2 0.002215 -0.000333 0.000783 0.003337 -0.001313 0.001689 1Rh 2dxz -0.001222 0.000240 0.000262 0.000241 -0.001070 -0.001022 1Rh 2dyz 0.001555 -0.002554 0.001935 0.005005 -0.001535 0.002045 1Rh 2dx2y2 -0.001464 0.000532 -0.000485 -0.000604 0.000855 0.000925 1Rh 2dxy 0.002242 0.001563 0.001596 0.001499 -0.001092 0.001598 1Rh 3dz2 -0.035824 -0.050452 -0.034422 0.007195 0.000727 -0.032703 1Rh 3dxz 0.034796 -0.075507 -0.054758 0.028763 0.040885 0.001186 1Rh 3dyz 0.024245 0.012376 0.018956 0.003814 -0.008104 0.014846 1Rh 3dx2y2 0.056002 0.062094 0.060686 -0.032429 -0.005819 0.025288 1Rh 3dxy -0.047348 -0.027528 -0.014279 -0.003486 0.025351 -0.032531 1Rh 4dz2 0.037756 -0.000243 0.021356 0.050745 -0.020616 0.030543 1Rh 4dxz -0.022221 0.012313 0.014246 0.000791 -0.019664 -0.015523 1Rh 4dyz 0.022404 -0.041900 0.027050 0.080355 -0.021565 0.030524 1Rh 4dx2y2 -0.028367 0.001989 -0.014021 -0.006516 0.011081 0.010570 1Rh 4dxy 0.039945 0.025302 0.025501 0.024935 -0.020865 0.028304 1Rh 5dz2 -0.036933 0.190281 -0.008206 -0.272250 0.082330 -0.028421 1Rh 5dxz -0.012855 0.238011 0.120390 -0.103097 -0.080072 0.072051 1Rh 5dyz -0.194973 0.169120 -0.197990 -0.403478 0.096316 -0.195507 1Rh 5dx2y2 -0.085112 -0.267107 -0.186373 0.167890 -0.000331 -0.142112 1Rh 5dxy -0.009972 -0.024796 -0.067430 -0.116292 0.015165 0.015618 1Rh 1f0 -0.064433 0.001683 -0.003896 -0.000350 -0.012766 -0.025100 1Rh 1f+1 0.004161 0.021685 -0.020644 -0.037599 0.012346 0.007141 1Rh 1f-1 -0.030110 -0.000813 -0.041942 -0.106491 -0.047115 -0.028857 1Rh 1f+2 -0.070271 0.026072 -0.020305 0.089303 0.024771 -0.018748 1Rh 1f-2 -0.086618 0.028018 -0.030625 -0.053380 -0.000226 -0.055026 1Rh 1f+3 0.068372 0.004476 -0.020781 -0.016971 0.003152 0.039059 1Rh 1f-3 -0.024981 0.020530 -0.014684 -0.013836 0.019590 -0.019147 2C 1s -0.002478 0.008212 0.002775 -0.000437 0.015182 0.001094 2C 2s -0.008149 0.027396 0.009863 -0.002410 0.051856 0.004060 2C 3s -0.069206 -0.005671 -0.233368 0.157863 -0.571292 -0.097075 2C 4s 0.614529 -0.612093 0.974060 -0.907215 1.731677 0.322099 2C 5s -0.271991 1.303462 0.374731 0.240452 1.074268 0.091358 2C 1pz -0.011731 -0.040168 -0.107545 0.045470 -0.182633 -0.025292 2C 1px 0.021584 -0.053389 -0.027676 -0.000866 -0.115529 -0.004340 2C 1py -0.009615 0.013428 -0.069061 0.031284 -0.195594 -0.018067 2C 2pz 0.014323 0.442554 0.794108 -0.526169 2.568501 0.091429 2C 2px -0.142186 0.456185 0.577984 -0.138023 1.639967 0.013041 2C 2py -0.014439 0.905356 0.647540 -0.364560 1.270419 0.008354 2C 3pz 0.000046 0.072227 0.021722 0.018585 0.223105 0.017581 2C 3px -0.008391 0.166490 -0.097381 -0.023335 0.053167 0.030333 2C 3py -0.003363 0.282489 0.128342 -0.018947 0.063678 0.114404 2C 1dz2 0.028728 -0.006016 -0.017876 0.011698 -0.224479 -0.012563 2C 1dxz -0.004813 -0.054696 0.001926 0.004213 0.086751 0.005761 2C 1dyz 0.056234 -0.187907 -0.063610 -0.002137 -0.131182 0.011733 2C 1dx2y2 -0.015564 0.036435 -0.001016 -0.004116 -0.016371 -0.016006 2C 1dxy 0.000828 0.054319 0.000305 0.005925 -0.101946 -0.022127 2C 2dz2 -0.002625 0.118511 0.163239 -0.112034 0.505318 -0.014577 2C 2dxz 0.008133 0.267526 0.001665 -0.069464 -0.024417 -0.041679 2C 2dyz -0.081926 0.447902 0.392515 -0.165039 1.192905 0.015582 2C 2dx2y2 -0.051754 0.039506 -0.041361 0.086673 0.132275 -0.002916 2C 2dxy -0.073215 0.031525 0.084868 -0.033841 0.521825 0.033970 2C 1f0 0.007387 0.141043 0.021914 -0.014376 -0.167752 0.013588 2C 1f+1 -0.003330 -0.013522 -0.029925 0.014739 0.000645 0.010185 2C 1f-1 0.024423 -0.036351 -0.002222 -0.014867 0.006039 -0.006040 2C 1f+2 -0.024013 0.093302 -0.009615 0.022522 -0.052354 0.024505 2C 1f-2 0.010837 -0.019834 -0.000770 0.012495 -0.037608 0.011643 2C 1f+3 -0.018143 0.045656 -0.012234 0.014033 -0.044962 -0.017124 2C 1f-3 0.012117 -0.040956 0.006099 -0.014791 0.034617 0.018186 3C 1s -0.012689 0.000983 -0.004291 0.002866 0.000390 0.005842 3C 2s -0.043156 0.002248 -0.014156 0.011333 0.001233 0.022350 3C 3s -0.140164 -0.066888 -0.211521 -0.308011 -0.004856 -0.527517 3C 4s 1.714701 0.208065 1.613053 1.339447 0.052948 2.376309 3C 5s -3.264541 0.589357 0.130239 -0.391632 -0.241213 -0.467385 3C 1pz 0.009387 -0.010442 -0.090694 -0.056090 -0.011367 -0.121429 3C 1px -0.013183 -0.022554 -0.008888 -0.051739 -0.003145 -0.087001 3C 1py -0.011166 0.025395 0.063186 0.082358 -0.003180 0.158229 3C 2pz -0.765417 -0.064621 0.016502 0.274539 -0.139205 0.643460 3C 2px -0.347620 0.204256 0.072337 0.352259 0.066516 1.016799 3C 2py 1.177499 0.103474 -0.573900 -0.918187 -0.258723 -2.079559 3C 3pz -0.369845 0.080344 0.049925 0.031522 -0.063225 0.039733 3C 3px -0.177610 0.163886 -0.067340 0.083149 -0.070477 -0.009852 3C 3py 0.584367 -0.089071 -0.088616 0.043734 0.057343 0.047767 3C 1dz2 -0.019011 -0.029873 0.014621 0.045404 0.025942 0.085852 3C 1dxz 0.110854 0.024411 0.007814 0.002336 -0.006417 -0.000329 3C 1dyz -0.250249 -0.021582 -0.056358 0.030043 0.020527 0.091130 3C 1dx2y2 -0.197757 -0.022531 -0.035726 0.002283 0.010730 0.048153 3C 1dxy -0.156257 0.000612 -0.047677 -0.005274 -0.043632 -0.018331 3C 2dz2 0.035582 0.009057 0.013154 -0.118997 -0.078512 -0.214050 3C 2dxz -0.238952 -0.051555 0.077795 0.108485 -0.001348 0.124589 3C 2dyz 0.584714 0.052230 -0.100799 -0.319304 -0.141456 -0.794589 3C 2dx2y2 0.508961 0.096128 -0.050189 -0.036277 0.035310 -0.243359 3C 2dxy 0.326440 -0.051554 0.086845 -0.135682 0.044033 -0.335411 3C 1f0 -0.008478 -0.008240 0.034636 0.015317 0.015862 0.033587 3C 1f+1 0.018841 -0.003362 0.035730 0.025374 0.011458 0.035252 3C 1f-1 -0.017826 0.021688 -0.055224 -0.017237 -0.047607 -0.076658 3C 1f+2 -0.151590 -0.024784 -0.063342 -0.017557 0.010206 -0.039781 3C 1f-2 -0.085443 0.001903 -0.048167 -0.003698 -0.033216 -0.026864 3C 1f+3 0.008206 -0.031199 0.004585 0.007411 0.021016 0.012120 3C 1f-3 -0.005281 -0.018355 -0.006704 0.008536 0.033474 0.022951 4C 1s 0.000813 -0.004511 0.001032 0.000970 -0.009234 -0.004322 4C 2s 0.000820 -0.011083 0.000750 0.004127 -0.034014 -0.014165 4C 3s 0.020233 0.220710 0.050290 -0.068992 0.929409 0.276821 4C 4s -0.045185 -1.199911 0.048929 0.310330 -4.100777 -0.950761 4C 5s 0.087935 -0.712731 -0.072451 -0.404989 -0.284914 -0.375731 4C 1pz -0.004752 -0.027551 -0.054959 0.062864 -0.111914 0.034434 4C 1px 0.008434 0.002610 -0.015552 0.005796 -0.015748 0.025978 4C 1py -0.016402 0.001465 -0.039766 0.042563 -0.081398 0.027534 4C 2pz 0.088828 0.361776 0.905008 -0.682940 1.852134 -0.158538 4C 2px -0.040605 -0.010878 0.355464 -0.052197 0.216481 -0.148260 4C 2py 0.070097 0.170571 0.685106 -0.431859 1.182187 -0.153147 4C 3pz 0.093400 0.291511 0.016387 -0.135061 0.048083 0.414086 4C 3px 0.045219 -0.140081 0.125070 -0.021941 -0.437329 0.081057 4C 3py 0.062246 -0.064765 -0.167186 -0.035243 -0.319890 -0.140091 4C 1dz2 0.003182 -0.084782 0.019962 -0.008858 0.024934 -0.024480 4C 1dxz -0.004661 -0.067788 -0.012202 -0.015068 0.129549 -0.016544 4C 1dyz 0.060320 -0.086043 -0.047974 -0.002471 -0.078373 0.017667 4C 1dx2y2 0.000089 -0.106916 0.005010 0.000790 0.089434 0.003467 4C 1dxy 0.014964 0.060206 0.019201 -0.011349 -0.117141 -0.004949 4C 2dz2 -0.015863 -0.195658 -0.403667 0.220038 -0.664141 0.045530 4C 2dxz -0.181181 0.345185 0.000923 0.193153 0.186612 0.032677 4C 2dyz -0.081929 -0.085562 -0.249250 0.196323 -0.898019 -0.042769 4C 2dx2y2 0.035390 0.165935 0.211059 -0.194314 -0.074224 -0.114000 4C 2dxy -0.072837 0.006339 0.039483 0.021850 0.363322 -0.079876 4C 1f0 -0.009983 0.112107 0.041492 -0.001437 -0.105119 0.010135 4C 1f+1 -0.016456 0.000872 0.012943 0.017231 0.032166 -0.054327 4C 1f-1 -0.022799 0.064815 -0.000825 0.012051 0.068614 0.012509 4C 1f+2 0.009127 -0.002166 0.002770 -0.009370 -0.093593 0.036261 4C 1f-2 -0.009315 0.084208 0.033059 -0.006272 0.135700 0.093715 4C 1f+3 -0.033860 0.027036 -0.039092 0.018377 -0.072821 -0.084660 4C 1f-3 0.046573 -0.061531 0.049426 -0.023353 0.066990 0.098517 5C 1s 0.003652 0.000429 0.003854 -0.005642 0.002092 -0.003738 5C 2s -0.000049 0.000176 0.008334 -0.020889 0.005920 -0.017086 5C 3s -0.048355 0.053971 -0.168923 0.469130 -0.110089 0.512551 5C 4s 1.023264 -0.051768 1.085152 -1.845538 0.347310 -2.316716 5C 5s 1.127623 -0.106963 0.337102 0.104001 0.455225 0.668528 5C 1pz 0.019365 0.010876 -0.045530 -0.008228 -0.024411 -0.100448 5C 1px 0.036962 0.034153 0.005624 -0.042316 -0.013839 -0.055063 5C 1py -0.054341 -0.029870 0.063221 0.029358 0.040247 0.157580 5C 2pz -0.232641 -0.058993 0.535979 0.295191 0.185777 1.133134 5C 2px -0.277487 -0.135979 0.178086 0.330357 0.098336 0.555321 5C 2py 0.504206 0.135554 -0.877428 -0.570341 -0.302938 -1.879509 5C 3pz -0.574554 0.347293 0.364198 -0.203617 -0.052511 -0.306625 5C 3px -0.511811 0.043400 0.344769 -0.177465 -0.233753 -0.323505 5C 3py 1.090243 -0.629853 -0.445483 -0.203408 0.197643 0.113771 5C 1dz2 -0.073833 -0.029804 -0.021434 -0.031462 -0.010619 -0.024243 5C 1dxz 0.054197 0.041786 -0.003097 0.016119 -0.045015 -0.036674 5C 1dyz -0.137502 -0.040453 -0.048039 0.023215 0.031992 0.055018 5C 1dx2y2 -0.123024 0.024430 -0.014922 -0.012004 -0.065057 -0.040558 5C 1dxy -0.117458 0.025355 -0.042527 -0.000410 -0.015440 -0.043555 5C 2dz2 0.067924 0.023278 -0.065466 0.103247 -0.064832 0.049248 5C 2dxz 0.115036 0.040960 -0.350742 -0.017641 0.019209 -0.117773 5C 2dyz 0.020246 0.096126 0.112270 0.322116 0.027988 0.604181 5C 2dx2y2 -0.068213 0.003161 0.390816 0.206059 0.140916 0.637361 5C 2dxy -0.097407 -0.182686 0.416111 0.073074 0.033387 0.391531 5C 1f0 0.141164 0.044362 0.061602 0.057328 0.015636 0.064508 5C 1f+1 0.047389 0.009699 0.018529 0.084695 -0.023080 0.097450 5C 1f-1 -0.017568 0.016234 -0.063216 0.038551 -0.026834 0.007838 5C 1f+2 0.134478 0.005859 0.075994 -0.093079 0.015298 -0.069626 5C 1f-2 0.070926 -0.010552 0.011166 0.009720 -0.009738 -0.035309 5C 1f+3 -0.092731 0.000902 -0.012732 0.024649 0.014836 0.039062 5C 1f-3 0.004414 -0.022531 0.001295 0.058871 0.026775 0.067199 6C 1s -0.003789 -0.000177 0.003874 0.002690 -0.005648 0.004949 6C 2s -0.000284 0.000275 0.008557 0.008253 -0.021052 0.021431 6C 3s 0.055603 -0.055697 -0.164251 -0.182369 0.478404 -0.630662 6C 4s -1.064871 0.083651 1.058987 0.676466 -1.885442 2.838798 6C 5s -1.135031 0.120214 0.301050 0.475626 0.096537 -0.576882 6C 1pz 0.018760 0.014518 0.045616 0.017554 0.009449 -0.108996 6C 1px 0.037768 0.035301 -0.008019 0.006422 0.040861 -0.060844 6C 1py -0.053261 -0.036269 -0.062439 -0.027190 -0.030298 0.169957 6C 2pz -0.224665 -0.105867 -0.540437 -0.090513 -0.306964 1.266873 6C 2px -0.278487 -0.168992 -0.170631 -0.020727 -0.327429 0.638875 6C 2py 0.489798 0.219281 0.882797 0.131745 0.586276 -2.103331 6C 3pz -0.565645 0.343340 -0.422865 0.025298 0.237011 -0.261329 6C 3px -0.508072 0.032969 -0.373731 0.221787 0.213219 -0.331508 6C 3py 1.083581 -0.616123 0.533751 -0.192786 0.171013 0.044374 6C 1dz2 0.072910 0.027207 -0.023048 -0.008536 -0.029949 0.026205 6C 1dxz -0.053802 -0.045754 -0.003363 -0.045498 0.011843 0.047249 6C 1dyz 0.139872 0.038030 -0.048475 0.026815 0.026871 -0.067391 6C 1dx2y2 0.122770 -0.026573 -0.010789 -0.065025 -0.016394 0.047342 6C 1dxy 0.119809 -0.028226 -0.039168 -0.015941 -0.000973 0.048336 6C 2dz2 -0.063690 -0.024032 -0.063696 -0.079729 0.101643 -0.053172 6C 2dxz -0.109687 -0.058164 -0.350893 0.034063 -0.001468 0.105845 6C 2dyz -0.020827 -0.078575 0.116742 -0.038511 0.332731 -0.711632 6C 2dx2y2 0.061428 0.032203 0.390096 0.092891 0.204430 -0.715740 6C 2dxy 0.087126 0.213504 0.416521 0.001990 0.063918 -0.426906 6C 1f0 0.142877 0.037431 -0.062025 -0.014990 -0.059231 0.063466 6C 1f+1 0.047860 0.003676 -0.017218 0.029727 -0.086394 0.097617 6C 1f-1 -0.019000 0.018643 0.064685 0.028537 -0.039879 0.001659 6C 1f+2 0.136733 0.005117 -0.074750 -0.024398 0.096146 -0.076147 6C 1f-2 0.071750 -0.009676 -0.008394 0.005185 -0.006893 -0.048964 6C 1f+3 -0.093224 0.000501 0.008267 -0.008563 -0.026787 0.050381 6C 1f-3 0.004375 -0.025580 0.001493 -0.026617 -0.062696 0.069114 7C 1s -0.000876 0.004738 0.000713 -0.009203 0.000112 0.003815 7C 2s -0.000949 0.011501 0.000012 -0.033539 0.001003 0.012526 7C 3s -0.018265 -0.229695 0.065905 0.907870 0.008285 -0.235998 7C 4s 0.027758 1.273162 -0.034975 -4.006628 -0.017894 0.768031 7C 5s -0.093586 0.752955 -0.125674 -0.337938 -0.437549 0.316520 7C 1pz -0.006047 -0.020419 0.055848 0.101522 -0.054409 0.038030 7C 1px 0.008275 0.003766 0.015800 0.012615 -0.005138 0.028715 7C 1py -0.017538 0.006719 0.038990 0.075117 -0.036761 0.032249 7C 2pz 0.108434 0.262611 -0.924681 -1.747807 0.527428 -0.240435 7C 2px -0.034433 -0.051136 -0.357170 -0.182127 0.038314 -0.175070 7C 2py 0.085776 0.096686 -0.698465 -1.118219 0.335973 -0.216525 7C 3pz 0.095203 0.270601 -0.058625 -0.037581 0.099864 0.344198 7C 3px 0.055854 -0.171395 -0.119036 0.475854 0.058210 0.086710 7C 3py 0.061690 -0.086652 0.165948 0.306016 0.029574 -0.215579 7C 1dz2 -0.004396 0.091293 0.012423 0.023895 -0.006800 0.026372 7C 1dxz 0.004555 0.073154 -0.017925 0.132739 -0.004987 0.018125 7C 1dyz -0.060041 0.086349 -0.054559 -0.080372 -0.008318 -0.019458 7C 1dx2y2 -0.001253 0.115558 -0.003700 0.089885 0.004984 0.001523 7C 1dxy -0.015563 -0.064542 0.023415 -0.118271 -0.018466 0.003551 7C 2dz2 0.020633 0.159144 -0.417096 -0.645722 0.159820 -0.075841 7C 2dxz 0.191796 -0.378144 0.038433 0.231275 0.207399 -0.048744 7C 2dyz 0.087120 0.052751 -0.255798 -0.864384 0.122190 0.001918 7C 2dx2y2 -0.041655 -0.140310 0.223837 -0.096952 -0.190244 0.129012 7C 2dxy 0.076656 0.012374 0.043577 0.387838 0.049603 0.078509 7C 1f0 -0.008615 0.116625 -0.051395 0.109750 0.007505 0.013924 7C 1f+1 -0.016344 0.001618 -0.013952 -0.032319 -0.020258 -0.061127 7C 1f-1 -0.023154 0.068470 -0.004784 -0.067856 -0.016073 0.008594 7C 1f+2 0.010311 0.000050 -0.003250 0.097541 0.018352 0.043753 7C 1f-2 -0.010146 0.087595 -0.042250 -0.133548 -0.001667 0.100179 7C 1f+3 -0.034950 0.031710 0.036619 0.069831 -0.016638 -0.090009 7C 1f-3 0.048123 -0.067647 -0.045016 -0.058530 0.022176 0.103847 8C 1s 0.012841 -0.001133 -0.003973 -0.000347 0.003139 -0.007467 8C 2s 0.043680 -0.002679 -0.013163 -0.001541 0.012245 -0.027919 8C 3s 0.143312 0.042372 -0.214244 0.047846 -0.313894 0.599693 8C 4s -1.746913 -0.061864 1.597933 -0.163841 1.337574 -2.626639 8C 5s 3.266977 -0.601895 0.278542 -0.268973 -0.408541 0.232593 8C 1pz 0.007444 -0.001328 0.092595 0.000158 0.057507 -0.137768 8C 1px -0.013380 -0.020103 0.009143 -0.005655 0.054578 -0.104146 8C 1py -0.010613 0.018567 -0.065754 0.021219 -0.084824 0.185300 8C 2pz -0.769688 -0.075080 -0.031248 0.237498 -0.261405 0.751762 8C 2px -0.348112 0.192900 -0.092145 0.026266 -0.376602 1.198690 8C 2py 1.175575 0.180517 0.597419 0.037879 0.950474 -2.418606 8C 3pz -0.370448 0.077623 -0.066682 0.077157 -0.028741 0.065699 8C 3px -0.180730 0.169105 0.054462 0.076931 -0.078839 0.001718 8C 3py 0.583144 -0.085448 0.119838 -0.066232 -0.052145 -0.004941 8C 1dz2 0.019320 0.033203 0.013261 0.020899 0.049293 -0.099899 8C 1dxz -0.111091 -0.025689 0.006495 -0.004321 0.001913 0.002851 8C 1dyz 0.252462 0.019114 -0.052975 0.008320 0.034337 -0.113847 8C 1dx2y2 0.199122 0.022129 -0.031996 0.004811 0.004120 -0.060754 8C 1dxy 0.158351 -0.005225 -0.045202 -0.048804 -0.008791 0.017552 8C 2dz2 -0.038393 -0.011117 0.014498 -0.059334 -0.130901 0.261536 8C 2dxz 0.239147 0.065502 0.078742 -0.023585 0.106885 -0.141733 8C 2dyz -0.586426 -0.072069 -0.111133 -0.059643 -0.339996 0.930082 8C 2dx2y2 -0.509887 -0.103161 -0.061066 0.072728 -0.029692 0.288370 8C 2dxy -0.330863 0.053971 0.079676 0.086903 -0.135035 0.397142 8C 1f0 -0.007145 -0.012141 -0.034769 -0.015193 -0.017159 0.039211 8C 1f+1 0.017732 -0.006669 -0.034368 -0.009693 -0.025469 0.036417 8C 1f-1 -0.018987 0.027792 0.055242 0.045324 0.019083 -0.088815 8C 1f+2 -0.153246 -0.020246 0.062065 -0.011850 0.016171 -0.039496 8C 1f-2 -0.087374 0.005437 0.047548 0.032613 0.004761 -0.030798 8C 1f+3 0.008154 -0.033095 -0.002352 -0.020370 -0.009491 0.015439 8C 1f-3 -0.006530 -0.020581 0.007232 -0.033151 -0.011691 0.029310 9C 1s 0.002590 -0.008379 0.003494 0.015476 0.000793 -0.000443 9C 2s 0.008482 -0.027859 0.012213 0.052506 0.001748 -0.001880 9C 3s 0.074225 -0.018101 -0.231721 -0.538262 0.109556 0.069381 9C 4s -0.650549 0.759163 0.906900 1.531474 -0.750720 -0.220325 9C 5s 0.276945 -1.298076 0.510964 1.150368 0.362506 0.055981 9C 1pz -0.014289 -0.032479 0.110789 0.170726 -0.029857 -0.014510 9C 1px 0.022462 -0.055018 0.032818 0.118157 0.010737 -0.002804 9C 1py -0.010561 0.022941 0.067639 0.191490 -0.015527 -0.011045 9C 2pz 0.029161 0.350564 -0.818424 -2.463468 0.319058 -0.035932 9C 2px -0.141178 0.403578 -0.621114 -1.652480 0.004165 -0.015696 9C 2py -0.009624 0.898996 -0.727806 -1.239473 0.251685 -0.066699 9C 3pz -0.000098 0.060424 -0.033463 -0.226793 -0.042543 -0.022947 9C 3px -0.012517 0.175323 0.088577 -0.072377 0.010731 0.019659 9C 3py -0.001195 0.286102 -0.153253 -0.056166 0.008126 0.100511 9C 1dz2 -0.029112 -0.000048 -0.019341 -0.226727 -0.003333 0.005014 9C 1dxz 0.005271 0.056051 -0.000173 0.088646 0.010311 -0.007123 9C 1dyz -0.056826 0.192977 -0.079317 -0.130080 -0.013032 -0.017642 9C 1dx2y2 0.015659 -0.036585 0.002712 -0.014639 -0.005162 0.018113 9C 1dxy -0.000067 -0.061358 0.005115 -0.102126 -0.000674 0.019610 9C 2dz2 -0.000866 -0.100292 0.172597 0.480341 -0.072421 0.049994 9C 2dxz -0.007383 -0.274235 0.016680 -0.029749 -0.064627 0.055314 9C 2dyz 0.078879 -0.430356 0.429851 1.165043 -0.070801 0.028282 9C 2dx2y2 0.055744 -0.058177 -0.035154 0.145220 0.096300 -0.010140 9C 2dxy 0.074845 -0.019521 0.089542 0.535196 0.008212 -0.024496 9C 1f0 0.007734 0.151320 -0.034435 0.171764 0.024541 0.018091 9C 1f+1 -0.004015 -0.011478 0.030158 0.002431 -0.014157 0.010710 9C 1f-1 0.024820 -0.037866 0.005177 -0.003883 0.013890 -0.004803 9C 1f+2 -0.025742 0.103320 0.000301 0.050472 -0.017759 0.028695 9C 1f-2 0.010314 -0.014296 0.001370 0.041013 -0.008559 0.014579 9C 1f+3 -0.019203 0.052722 0.008365 0.044978 -0.010783 -0.018860 9C 1f-3 0.012247 -0.044091 -0.001481 -0.032857 0.012650 0.017411 10H 1s 0.028596 -0.022385 0.032024 -0.036213 -0.061723 -0.007121 10H 2s -0.096914 0.270204 -0.280331 0.059023 -0.272482 -0.043045 10H 3s 0.085434 -0.296079 0.032768 -0.060483 -0.089499 0.025230 10H 1pz -0.008494 -0.005572 -0.119610 0.050153 -0.301321 -0.008780 10H 1px 0.076945 -0.231025 0.041736 -0.003120 -0.212715 0.016790 10H 1py 0.039024 -0.136179 -0.087663 0.024203 -0.148924 0.004766 11H 1s -0.031089 0.090319 0.041580 0.000451 0.070250 -0.009036 11H 2s -0.188071 0.041070 0.189083 -0.011686 1.419898 0.053360 11H 3s 0.079779 -0.179893 -0.183212 -0.040680 -0.369327 0.024220 11H 1pz -0.035444 -0.049373 0.019468 0.004378 0.238648 -0.010134 11H 1px -0.069987 0.036745 0.017227 0.013431 0.486744 -0.001166 11H 1py 0.036399 -0.159128 -0.119811 0.033776 -0.290620 -0.002014 12H 1s -0.001626 -0.019235 0.010800 0.001949 0.176649 -0.013942 12H 2s -0.187863 0.976863 0.217247 -0.014917 0.204547 -0.058782 12H 3s 0.089145 -0.207211 -0.096197 -0.045121 -0.252362 0.063580 12H 1pz 0.031666 -0.066293 -0.081430 0.027212 -0.297420 0.015505 12H 1px -0.067053 0.219256 0.006528 0.024313 0.095898 -0.003369 12H 1py -0.059028 0.361281 0.070025 -0.001563 0.048751 -0.034617 13H 1s -0.035330 -0.003595 0.084908 -0.012345 0.001343 0.021054 13H 2s -0.942982 -0.208802 -0.462508 -0.076794 -0.103350 -0.299765 13H 3s 0.467072 -0.036376 0.171738 0.056971 0.048174 0.137864 13H 1pz -0.278046 -0.069094 -0.102559 -0.035701 -0.014569 -0.083647 13H 1px 0.362335 0.024323 0.193536 -0.023501 0.010791 -0.038176 13H 1py 0.077954 0.051064 0.083854 0.083774 0.027272 0.216887 14H 1s -0.022797 0.001109 0.032470 0.022927 0.017079 0.080715 14H 2s -0.887802 0.048496 -0.504157 -0.150596 -0.134320 -0.023781 14H 3s 0.476341 0.024920 0.063376 0.143932 -0.029761 0.041229 14H 1pz -0.154478 0.030550 -0.053237 -0.057977 -0.045635 -0.035436 14H 1px -0.367494 0.006274 -0.241849 -0.054598 -0.034706 -0.012596 14H 1py -0.232381 -0.048302 0.016119 0.040870 0.058134 0.163141 15H 1s -0.013280 0.007849 -0.062646 0.008413 0.002257 0.025233 15H 2s -0.806152 -0.096439 0.082164 0.286601 0.301064 0.681329 15H 3s 0.450219 -0.020050 -0.075437 0.030058 -0.061636 -0.106439 15H 1pz 0.420097 0.024609 0.012927 -0.078085 -0.062401 -0.248967 15H 1px -0.016356 -0.015062 -0.029615 0.021707 0.056780 0.051887 15H 1py 0.157326 0.022249 -0.014924 -0.042543 -0.097744 -0.131825 16H 1s 0.014864 0.000173 -0.029372 -0.006356 0.006645 0.020744 16H 2s 0.019067 0.362371 -0.392434 0.000623 0.252162 -0.076274 16H 3s 0.021883 0.079780 -0.160300 0.016808 0.002295 0.032917 16H 1pz 0.028570 0.214214 -0.270104 -0.006474 0.155756 -0.015117 16H 1px -0.024630 -0.088340 0.129069 0.004279 -0.017402 -0.007876 16H 1py -0.003425 0.023720 -0.009812 -0.002275 0.018986 -0.047311 17H 1s -0.007047 0.007166 -0.033229 -0.004217 0.007905 0.014385 17H 2s -0.087927 0.466739 -0.445465 0.010300 0.159510 -0.045684 17H 3s -0.017928 0.087827 -0.150578 -0.007211 0.073143 0.006631 17H 1pz 0.045802 -0.144932 0.140489 -0.012411 -0.057419 0.005186 17H 1px -0.004974 -0.238565 0.292781 0.004112 -0.080342 -0.011120 17H 1py -0.045797 0.088010 -0.069290 0.010666 0.003352 -0.040405 18H 1s 0.007333 -0.011500 -0.033098 0.008579 -0.004845 -0.014800 18H 2s 0.098222 -0.493463 -0.419659 0.168402 0.056828 0.029138 18H 3s 0.020490 -0.099368 -0.144228 0.075296 -0.001661 -0.008067 18H 1pz 0.050454 -0.157516 -0.135271 0.061029 0.027148 0.000435 18H 1px 0.001226 -0.259862 -0.280651 0.086486 0.015153 -0.018008 18H 1py -0.045413 0.084706 0.060733 0.000164 -0.018112 -0.036588 19H 1s -0.013971 -0.003332 -0.029850 0.007555 -0.006024 -0.021708 19H 2s -0.008606 -0.403068 -0.366478 0.260934 0.029981 0.071162 19H 3s -0.018313 -0.094442 -0.156591 0.005099 0.019235 -0.037103 19H 1pz 0.021367 0.240885 0.253701 -0.161943 -0.010437 -0.010290 19H 1px -0.022732 -0.101916 -0.126032 0.022314 -0.001116 -0.009092 19H 1py -0.003200 0.031218 0.013265 -0.020471 0.000990 -0.047919 20H 1s 0.015648 -0.012942 -0.062575 -0.003176 0.010912 -0.034873 20H 2s 0.807883 0.119586 0.092551 0.248844 0.322865 -0.809527 20H 3s -0.449651 0.013370 -0.087982 -0.047738 0.021007 0.151425 20H 1pz 0.421776 0.029251 -0.005610 0.036982 0.087061 -0.296783 20H 1px -0.020226 -0.014499 0.029935 -0.057078 -0.028575 0.068964 20H 1py 0.157054 0.026273 0.017499 0.090826 0.051468 -0.158800 21H 1s 0.021294 0.002708 0.033563 0.010635 0.024795 -0.097050 21H 2s 0.901245 -0.094930 -0.484848 -0.148204 -0.153354 -0.005700 21H 3s -0.477100 -0.016751 0.049833 -0.028050 0.138868 -0.007095 21H 1pz -0.158062 0.037255 0.049522 0.044891 0.062259 -0.037792 21H 1px -0.372161 0.027020 0.234817 0.040519 0.052776 0.004411 21H 1py -0.234359 -0.052879 -0.019060 -0.041264 -0.046008 0.195517 22H 1s 0.033728 0.009556 0.086666 -0.000853 -0.014982 -0.020290 22H 2s 0.957106 0.181859 -0.458199 -0.108432 -0.088145 0.315694 22H 3s -0.472642 0.050133 0.160457 0.051104 0.058016 -0.121887 22H 1pz -0.278121 -0.063691 0.099102 0.013351 0.038254 -0.087377 22H 1px 0.370213 0.012754 -0.190157 -0.024468 0.025847 -0.062450 22H 1py 0.081854 0.044419 -0.085406 -0.013707 -0.088285 0.245938 23H 1s 0.002498 0.024182 0.008821 0.180196 0.015370 0.016980 23H 2s 0.194324 -1.027786 0.304632 0.224210 0.008257 0.073811 23H 3s -0.090584 0.209863 -0.120845 -0.269098 -0.065319 -0.080218 23H 1pz 0.031732 -0.062750 0.088177 0.295976 -0.005527 0.031237 23H 1px -0.069341 0.233731 -0.025409 -0.102002 -0.032501 -0.003296 23H 1py -0.062259 0.380731 -0.102320 -0.059233 -0.005807 -0.039441 24H 1s 0.031189 -0.096558 0.051283 0.071079 0.006115 0.010430 24H 2s 0.189829 0.009934 0.193561 1.432375 0.090378 -0.026292 24H 3s -0.078372 0.167285 -0.201089 -0.375295 -0.069722 -0.035538 24H 1pz -0.034946 -0.063220 -0.015995 -0.244461 -0.020749 -0.014040 24H 1px -0.073810 0.031634 -0.022768 -0.501738 -0.048435 -0.010668 24H 1py 0.034700 -0.150456 0.132723 0.279726 -0.012197 0.008641 25H 1s -0.031014 0.029895 0.028919 -0.069538 -0.040257 0.011692 25H 2s 0.104221 -0.309171 -0.263837 -0.263110 0.035958 0.058517 25H 3s -0.089756 0.311837 0.008885 -0.113622 -0.072278 -0.034752 25H 1pz -0.010136 0.010260 0.120326 0.300671 -0.025209 -0.007630 25H 1px 0.081013 -0.243768 -0.024622 0.225107 0.020393 0.028382 25H 1py 0.039687 -0.139472 0.099810 0.153508 -0.009745 0.007248 26O 1s -0.000209 -0.007501 0.006654 0.001258 -0.008709 -0.002748 26O 2s -0.000633 -0.026542 0.021886 0.004088 -0.032097 -0.008955 26O 3s -0.002003 0.200607 -0.133612 -0.032109 0.250591 0.043623 26O 4s 0.070426 -0.544182 0.124150 0.109339 -0.831176 0.035462 26O 5s -0.140986 0.863948 -0.816573 0.176810 1.663035 0.309905 26O 1pz 0.022813 0.103785 -0.093999 -0.005192 -0.482901 -0.131694 26O 1px -0.037684 0.156459 -0.055619 0.040504 -0.018692 -0.071561 26O 1py 0.096927 -0.232301 0.065569 -0.071032 0.290825 0.252066 26O 2pz -0.007062 -0.208398 0.129913 -0.031457 0.615441 0.167273 26O 2px 0.026881 -0.168704 0.143611 -0.119521 0.089970 0.016756 26O 2py -0.128730 0.361331 -0.049158 0.050902 -0.522357 -0.407055 26O 3pz -0.008156 0.135918 -0.009410 -0.040894 -0.153693 -0.323610 26O 3px -0.048698 -0.103343 0.583487 -0.021744 -0.228112 -0.396392 26O 3py 0.042850 -0.129339 0.365717 -0.134212 0.382377 0.187197 26O 1dz2 -0.000151 0.002193 0.001800 0.001540 -0.006500 -0.002210 26O 1dxz -0.000418 0.001700 0.004468 0.001285 -0.011159 -0.002126 26O 1dyz 0.000931 -0.001446 -0.001807 0.002222 0.007315 0.000923 26O 1dx2y2 -0.001121 0.006717 -0.000356 -0.002906 -0.006630 -0.006751 26O 1dxy 0.002284 -0.002423 0.003135 -0.001695 0.006654 0.002302 26O 2dz2 -0.003860 0.025863 0.087936 -0.023245 0.063925 0.001153 26O 2dxz -0.042919 0.061970 0.027760 0.027973 0.109129 0.030386 26O 2dyz -0.029221 0.058767 -0.002315 0.005575 0.240565 -0.008039 26O 2dx2y2 0.026331 0.008130 -0.019232 -0.027775 -0.071384 0.042451 26O 2dxy -0.009191 0.031389 -0.044326 0.010832 0.108307 -0.015230 26O 1f0 0.000229 0.009539 0.006528 -0.001021 -0.001293 0.007774 26O 1f+1 0.004197 -0.002266 0.003060 -0.002822 0.010689 0.008990 26O 1f-1 0.000187 -0.006928 -0.003510 -0.001327 -0.010906 0.001500 26O 1f+2 0.001352 -0.002294 -0.006061 0.002647 0.004413 0.002696 26O 1f-2 0.000390 -0.005273 -0.003690 -0.001160 -0.003519 -0.006269 26O 1f+3 0.003685 0.007491 -0.000889 -0.000056 -0.013941 0.006006 26O 1f-3 -0.003637 -0.003794 -0.002171 0.002814 0.006091 -0.005918 27O 1s 0.001827 -0.006475 0.008447 -0.003833 -0.002285 -0.003864 27O 2s 0.004289 -0.022343 0.028679 -0.013612 -0.007669 -0.014308 27O 3s 0.004695 0.146549 -0.187932 0.095324 0.058122 0.113667 27O 4s -0.157850 -0.217879 0.349265 -0.219197 -0.151635 -0.400970 27O 5s 0.591818 0.189136 -1.455079 0.358114 -0.078935 0.426810 27O 1pz 0.035738 -0.036053 0.021505 0.248039 0.062647 0.255689 27O 1px -0.049322 0.050360 -0.062251 0.076109 0.015356 0.087302 27O 1py -0.039577 -0.068883 -0.097577 0.203623 0.081711 0.269953 27O 2pz -0.066686 0.067686 -0.002395 -0.349917 -0.106138 -0.397192 27O 2px 0.049183 -0.086078 0.176420 -0.116109 0.036127 -0.063644 27O 2py 0.072056 0.129050 0.057330 -0.269950 -0.136874 -0.402818 27O 3pz 0.144542 -0.072109 -0.118795 0.330946 -0.038458 0.425981 27O 3px -0.022611 0.100475 0.468136 0.007660 0.087787 0.198785 27O 3py -0.234273 -0.025898 -0.080878 0.206266 0.082482 0.065295 27O 1dz2 -0.002444 -0.004040 0.002451 -0.002588 0.002995 -0.000987 27O 1dxz 0.005797 0.000755 -0.000239 0.004908 0.000791 0.003673 27O 1dyz -0.011692 0.000907 0.001781 -0.003491 0.000350 -0.005235 27O 1dx2y2 -0.006830 -0.001956 0.004105 0.003489 -0.000003 0.007446 27O 1dxy -0.008545 -0.003352 0.000950 0.001250 0.002530 0.004111 27O 2dz2 -0.049444 -0.027796 0.058542 -0.055364 0.015718 -0.039595 27O 2dxz 0.077774 0.018434 -0.049486 -0.039276 0.004350 -0.007457 27O 2dyz -0.154604 -0.013062 0.028660 -0.039139 0.025140 -0.085508 27O 2dx2y2 -0.094977 -0.042062 -0.001058 -0.041813 -0.006253 -0.045640 27O 2dxy -0.097222 -0.043544 0.124661 -0.053213 -0.009324 -0.038418 27O 1f0 0.003063 -0.001686 0.002110 0.000156 0.002956 0.008824 27O 1f+1 -0.002069 0.000645 -0.002501 -0.005410 -0.000460 -0.005223 27O 1f-1 0.006456 -0.002056 0.000868 0.001905 -0.000546 0.003620 27O 1f+2 0.012261 0.004578 -0.001966 0.008967 -0.004271 0.004992 27O 1f-2 -0.003983 -0.002629 -0.006603 -0.002792 0.000212 -0.001856 27O 1f+3 0.009601 -0.002644 0.004926 0.001643 -0.000278 0.004366 27O 1f-3 0.013050 -0.004248 0.004080 -0.008136 0.007327 -0.004914 28O 1s 0.001517 0.000398 0.003122 -0.002380 -0.005671 0.000012 28O 2s 0.004102 0.003986 0.012280 -0.006637 -0.013247 -0.000024 28O 3s -0.007512 -0.075895 -0.110688 0.022113 -0.022592 -0.005010 28O 4s -0.119287 0.393057 0.305837 0.037950 0.535876 0.039926 28O 5s -0.006153 -0.319383 -0.590245 0.543642 -0.161448 0.159778 28O 1pz -0.026085 -0.179016 -0.147764 0.077725 -0.025882 -0.150490 28O 1px -0.029366 -0.050547 -0.059141 0.045073 0.101429 -0.100589 28O 1py 0.020572 0.133646 0.178799 -0.052031 0.004523 0.254154 28O 2pz 0.083521 0.199225 0.223395 -0.157960 -0.160749 0.168619 28O 2px -0.010685 0.183062 0.129498 -0.003592 0.097840 0.174559 28O 2py -0.013731 -0.200778 -0.245769 0.072397 0.006795 -0.366734 28O 3pz -0.013230 -0.272370 0.148321 0.058949 0.291085 -0.325093 28O 3px -0.048858 0.002196 -0.356014 0.232196 0.030437 -0.037406 28O 3py 0.027922 0.028788 0.209073 0.008715 0.476620 0.323350 28O 1dz2 -0.000030 -0.010784 -0.005895 -0.000452 -0.004704 -0.002629 28O 1dxz -0.002307 0.002015 0.000226 -0.001340 0.009221 -0.000833 28O 1dyz 0.001530 -0.001736 -0.003346 -0.002798 -0.007974 0.004405 28O 1dx2y2 0.001541 -0.002424 0.002580 -0.000017 0.000767 0.000208 28O 1dxy -0.000840 -0.000213 -0.002321 -0.000159 0.003155 -0.004396 28O 2dz2 0.039140 -0.161478 -0.051632 0.037287 -0.040466 0.060233 28O 2dxz 0.009405 -0.050112 0.043643 -0.031326 0.066623 -0.013214 28O 2dyz 0.039791 -0.092001 -0.045678 0.044592 -0.178347 -0.001077 28O 2dx2y2 0.000019 0.002130 0.019288 -0.016572 0.150664 0.008907 28O 2dxy 0.005917 0.033861 0.026390 -0.016139 0.143654 0.034427 28O 1f0 0.004360 -0.008902 0.002387 -0.001275 0.016461 0.005543 28O 1f+1 0.001733 0.003177 0.004823 0.001230 0.017103 0.010680 28O 1f-1 0.000999 0.002150 -0.000990 0.002846 -0.006915 -0.000086 28O 1f+2 0.001170 -0.005973 -0.001520 -0.004167 -0.007470 -0.000470 28O 1f-2 -0.004350 0.007496 -0.000211 0.005637 -0.000687 -0.005467 28O 1f+3 0.003770 -0.007453 0.000747 -0.001384 0.006913 0.004888 28O 1f-3 -0.002623 0.006671 0.004780 -0.000949 -0.006818 -0.007953 29O 1s 0.002832 0.014156 -0.015740 0.000793 0.009703 0.003884 29O 2s 0.010007 0.043993 -0.049381 0.002458 0.031263 0.014089 29O 3s -0.071421 -0.182841 0.216294 -0.010151 -0.158277 -0.110981 29O 4s 0.113219 0.072262 -0.185664 -0.030955 0.158799 0.233885 29O 5s -0.016503 -0.771156 1.234004 0.134868 -0.498192 -0.185115 29O 1pz 0.056970 0.058051 -0.158060 -0.016667 0.020311 0.023309 29O 1px -0.052432 -0.280864 0.499393 0.051751 -0.086056 -0.067231 29O 1py -0.104525 -0.147853 0.246831 0.026671 -0.095741 -0.141054 29O 2pz -0.044031 -0.056589 0.185513 0.009699 0.058078 -0.053613 29O 2px 0.103736 0.261747 -0.587195 -0.083195 0.073741 0.113035 29O 2py 0.141585 0.427011 -0.600576 -0.038164 0.240651 0.186435 29O 3pz 0.080367 0.017264 -0.097508 0.051453 -0.046755 -0.001553 29O 3px 0.002785 -0.186887 0.252778 -0.020390 -0.033641 0.015787 29O 3py -0.094362 0.111082 -0.087384 0.007372 0.035469 -0.039705 29O 1dz2 -0.000082 0.004484 -0.005030 0.000983 0.002956 -0.000171 29O 1dxz 0.000228 0.005654 -0.005484 -0.000978 0.005056 0.000729 29O 1dyz 0.000774 0.000195 0.001142 -0.001103 0.002976 0.000015 29O 1dx2y2 -0.000552 -0.004742 0.003503 -0.000122 -0.003079 -0.000220 29O 1dxy -0.000822 -0.003543 0.003336 -0.000864 0.000070 -0.002860 29O 2dz2 -0.020924 -0.051038 0.074726 0.011320 -0.033642 0.030516 29O 2dxz 0.018594 -0.073863 0.097055 -0.019606 0.025098 0.015170 29O 2dyz -0.026276 0.015196 0.007211 -0.006147 -0.019723 0.004559 29O 2dx2y2 0.025785 0.027985 -0.074029 0.001047 0.016682 0.017369 29O 2dxy -0.036965 0.068391 -0.067168 0.003276 0.043283 -0.032944 29O 1f0 -0.000195 0.013857 -0.016403 0.000596 0.005135 -0.001942 29O 1f+1 -0.001096 -0.006919 0.009324 0.000935 -0.003212 -0.000095 29O 1f-1 -0.001064 0.010752 -0.009584 0.001143 0.005366 -0.004555 29O 1f+2 -0.000592 -0.003618 0.006519 -0.000274 -0.000607 0.001404 29O 1f-2 -0.001922 0.009641 -0.006288 0.001004 0.003059 -0.001351 29O 1f+3 0.000976 0.001339 -0.000224 -0.000037 0.002687 0.002065 29O 1f-3 0.001334 -0.006663 0.007416 0.000817 -0.002163 0.002719 30O 1s 0.003672 0.000979 0.005824 -0.004067 0.000855 0.000194 30O 2s 0.011759 0.004578 0.018565 -0.013141 0.003120 0.001742 30O 3s -0.062859 -0.063779 -0.094217 0.067031 -0.018622 -0.030524 30O 4s 0.074163 0.318426 0.025756 -0.004475 0.003662 0.088168 30O 5s 0.072773 -0.464616 -1.434976 0.165041 -0.189226 -0.473305 30O 1pz -0.009000 0.038958 -0.143257 0.235748 -0.069527 0.123578 30O 1px 0.067840 -0.001541 -0.022215 0.040726 0.006115 0.050206 30O 1py 0.048029 0.062644 -0.080576 0.154429 -0.057899 0.147587 30O 2pz -0.017436 -0.115418 0.312859 -0.410445 0.110172 -0.174157 30O 2px -0.076249 0.079249 -0.079616 -0.001182 -0.025424 -0.053791 30O 2py -0.040825 -0.070445 -0.029405 -0.165127 0.065680 -0.210559 30O 3pz 0.032657 0.107073 0.129220 0.293241 0.181321 0.524963 30O 3px 0.078971 -0.137801 -0.664656 0.214115 -0.049369 -0.070031 30O 3py -0.060783 0.052857 -0.212669 0.327425 -0.343387 -0.106873 30O 1dz2 0.000539 0.004250 0.002631 0.006473 -0.002894 0.001347 30O 1dxz 0.004512 0.000897 -0.001525 0.001631 0.000196 -0.000271 30O 1dyz -0.007792 -0.002708 -0.000316 0.000238 0.001579 0.001812 30O 1dx2y2 -0.007336 0.003183 -0.001796 0.001562 0.000327 0.003199 30O 1dxy -0.007113 0.001816 0.005840 -0.004661 0.000145 -0.003684 30O 2dz2 -0.011161 0.019381 0.028723 -0.045805 -0.021137 -0.113007 30O 2dxz 0.016482 0.007551 0.015076 0.009950 0.003226 0.013620 30O 2dyz -0.084545 0.004780 0.066783 0.031957 0.013179 0.090435 30O 2dx2y2 -0.060941 0.057310 0.022354 0.017804 0.002120 0.055232 30O 2dxy -0.057421 0.005152 -0.042645 0.010632 -0.030518 -0.035328 30O 1f0 0.001113 0.000468 -0.007876 -0.003429 -0.001819 -0.002401 30O 1f+1 0.001654 0.004053 0.005061 -0.005134 -0.000226 -0.002743 30O 1f-1 -0.004126 0.003531 0.000244 0.008458 0.001351 0.006225 30O 1f+2 -0.006368 -0.001346 0.002102 0.004291 -0.000403 0.011346 30O 1f-2 0.010098 -0.004327 0.006592 -0.001164 0.002890 0.002058 30O 1f+3 -0.013232 0.001304 -0.001140 -0.000433 -0.003429 0.000551 30O 1f-3 -0.007834 -0.003018 -0.003079 -0.011087 -0.001722 -0.013816 31O 1s -0.003897 -0.000403 0.005842 0.001382 -0.003906 0.000363 31O 2s -0.012494 -0.002700 0.018680 0.004787 -0.012454 -0.000384 31O 3s 0.066863 0.052460 -0.096938 -0.026656 0.060018 0.031227 31O 4s -0.076506 -0.305947 0.040292 0.011474 0.016108 -0.124849 31O 5s -0.037807 0.382024 -1.467994 -0.231949 0.180018 0.470698 31O 1pz -0.015398 0.037595 0.148230 0.082547 -0.237096 0.105097 31O 1px 0.067289 -0.001551 0.026928 -0.005860 -0.044374 0.053616 31O 1py 0.044215 0.059553 0.083587 0.069637 -0.157484 0.138792 31O 2pz -0.004826 -0.118811 -0.317445 -0.135050 0.416809 -0.157618 31O 2px -0.078338 0.082731 0.069592 0.031989 0.000217 -0.038714 31O 2py -0.038514 -0.060017 0.025048 -0.077001 0.164231 -0.186579 31O 3pz 0.034860 0.081569 -0.135360 -0.155418 -0.318483 0.540317 31O 3px 0.063228 -0.097993 0.684005 0.066870 -0.223666 -0.044614 31O 3py -0.070124 0.064130 0.223225 0.351160 -0.309113 -0.135407 31O 1dz2 -0.000511 -0.003977 0.002631 -0.003210 0.006490 -0.000976 31O 1dxz -0.004495 -0.001301 -0.001573 0.000165 0.001652 0.000055 31O 1dyz 0.007747 0.002674 -0.000455 0.001305 0.000337 -0.003069 31O 1dx2y2 0.007435 -0.003379 -0.001536 -0.000097 0.001642 -0.003874 31O 1dxy 0.006956 -0.001390 0.006246 0.000436 -0.004732 0.003786 31O 2dz2 0.011392 -0.021957 0.029157 -0.015235 -0.050147 0.126686 31O 2dxz -0.017049 -0.007977 0.015383 0.002515 0.011125 -0.011606 31O 2dyz 0.082742 0.000023 0.066870 0.011904 0.030659 -0.100900 31O 2dx2y2 0.061172 -0.058813 0.025201 -0.001187 0.015866 -0.068418 31O 2dxy 0.058225 -0.007314 -0.042903 -0.030006 0.009944 0.037652 31O 1f0 0.000919 0.001068 0.007849 0.001969 0.003352 -0.002061 31O 1f+1 0.001618 0.004115 -0.005476 0.000245 0.005527 -0.002434 31O 1f-1 -0.004238 0.003311 -0.000731 -0.000717 -0.008605 0.007084 31O 1f+2 -0.006257 -0.001912 -0.002317 0.000918 -0.004481 0.011738 31O 1f-2 0.010322 -0.004594 -0.006108 -0.003237 0.001297 0.000754 31O 1f+3 -0.013252 0.001237 0.000855 0.003578 0.000428 0.000930 31O 1f-3 -0.007933 -0.002175 0.003110 0.000874 0.011702 -0.015203 32O 1s -0.002492 -0.015654 -0.015037 0.009859 0.002191 -0.004651 32O 2s -0.008939 -0.048738 -0.047212 0.031734 0.006895 -0.016592 32O 3s 0.066869 0.204997 0.208056 -0.159868 -0.030821 0.124603 32O 4s -0.109340 -0.094994 -0.183595 0.163599 -0.015732 -0.247832 32O 5s -0.012865 0.882263 1.184566 -0.535232 0.062050 0.209487 32O 1pz 0.054876 0.075793 0.157330 -0.026127 0.016617 0.025644 32O 1px -0.041571 -0.324073 -0.482758 0.103439 -0.039000 -0.069031 32O 1py -0.098401 -0.173180 -0.239796 0.106499 -0.016096 -0.146971 32O 2pz -0.042523 -0.077717 -0.195535 -0.048805 -0.010387 -0.058734 32O 2px 0.091098 0.313206 0.568508 -0.095851 0.078835 0.110329 32O 2py 0.128142 0.483321 0.577831 -0.263098 0.005004 0.200517 32O 3pz 0.079769 0.027810 0.095990 0.048647 -0.043554 -0.002498 32O 3px 0.007681 -0.205213 -0.243182 0.037170 0.027026 0.013455 32O 3py -0.095581 0.113908 0.077971 -0.033529 -0.018296 -0.038126 32O 1dz2 0.000250 -0.005083 -0.004785 0.003072 0.001387 0.000135 32O 1dxz -0.000068 -0.006069 -0.005200 0.005160 -0.000287 -0.001011 32O 1dyz -0.000761 -0.000449 0.001152 0.003177 -0.001026 0.000034 32O 1dx2y2 0.000493 0.005139 0.003233 -0.003252 -0.000639 0.000513 32O 1dxy 0.000785 0.003598 0.003105 0.000223 -0.001109 0.003070 32O 2dz2 0.018345 0.059728 0.072318 -0.031896 0.008592 -0.029539 32O 2dxz -0.020700 0.081636 0.095319 0.024457 -0.022924 -0.012920 32O 2dyz 0.025415 -0.009747 0.008209 -0.020365 -0.004129 -0.007590 32O 2dx2y2 -0.024863 -0.033354 -0.071255 0.018152 0.001077 -0.016831 32O 2dxy 0.037996 -0.071815 -0.061820 0.045843 0.011366 0.030041 32O 1f0 -0.000485 0.014420 0.014957 -0.005029 -0.001547 -0.001345 32O 1f+1 -0.000783 -0.008305 -0.009447 0.003668 -0.000343 -0.000163 32O 1f-1 -0.001396 0.012302 0.009404 -0.005626 -0.002006 -0.004491 32O 1f+2 -0.000348 -0.004956 -0.006822 0.001019 0.000440 0.001694 32O 1f-2 -0.002151 0.009352 0.005353 -0.002901 -0.002052 -0.001013 32O 1f+3 0.000866 0.001913 0.000419 -0.002903 -0.000289 0.002176 32O 1f-3 0.001554 -0.006935 -0.006804 0.002348 -0.000227 0.002650 33O 1s -0.001696 0.000097 0.003058 -0.005684 -0.002661 0.000299 33O 2s -0.004651 -0.002323 0.012313 -0.013069 -0.007129 0.001081 33O 3s 0.010093 0.065510 -0.115977 -0.028124 0.016679 -0.002581 33O 4s 0.121256 -0.379247 0.343791 0.578824 0.090037 -0.029384 33O 5s 0.019777 0.219123 -0.619131 -0.187004 0.485391 -0.178990 33O 1pz -0.029314 -0.178938 0.161685 0.018172 -0.076132 -0.164529 33O 1px -0.032002 -0.050468 0.062953 -0.113193 -0.054627 -0.109736 33O 1py 0.023136 0.137533 -0.192026 0.012189 0.057269 0.283526 33O 2pz 0.090833 0.189636 -0.235089 0.181971 0.170126 0.188758 33O 2px -0.010158 0.189322 -0.147412 -0.093570 -0.001629 0.186026 33O 2py -0.017157 -0.210749 0.265823 -0.029036 -0.080525 -0.407744 33O 3pz -0.012337 -0.285967 -0.133493 -0.290746 -0.077742 -0.340776 33O 3px -0.061184 0.048531 0.360649 -0.046602 -0.228751 -0.050120 33O 3py 0.029350 0.031074 -0.218785 -0.449449 -0.024843 0.351217 33O 1dz2 0.000026 0.010841 -0.006723 -0.004323 -0.000789 0.002772 33O 1dxz 0.002361 -0.002104 0.000538 0.009839 -0.000450 0.000782 33O 1dyz -0.001536 0.001207 -0.003384 -0.008260 -0.003484 -0.004857 33O 1dx2y2 -0.001636 0.002870 0.002313 0.000681 -0.000135 -0.000064 33O 1dxy 0.000899 0.000095 -0.002345 0.003555 0.000161 0.004761 33O 2dz2 -0.040201 0.163299 -0.065929 -0.049219 0.028296 -0.067394 33O 2dxz -0.010668 0.057625 0.040004 0.066518 -0.025446 0.015370 33O 2dyz -0.040398 0.083870 -0.054673 -0.186871 0.028064 0.002668 33O 2dx2y2 0.000842 0.001655 0.019445 0.156507 -0.005250 -0.005877 33O 2dxy -0.005906 -0.031002 0.030015 0.141230 -0.005753 -0.035274 33O 1f0 0.004403 -0.009868 -0.001525 -0.016404 0.000304 0.005427 33O 1f+1 0.001727 0.003044 -0.005187 -0.016979 -0.002086 0.010744 33O 1f-1 0.000951 0.002114 0.000965 0.007056 -0.002413 0.000233 33O 1f+2 0.001309 -0.006299 0.002014 0.007865 0.004865 -0.000203 33O 1f-2 -0.004473 0.007999 -0.000320 0.000123 -0.005616 -0.006017 33O 1f+3 0.003802 -0.008217 0.000073 -0.006537 0.001229 0.005152 33O 1f-3 -0.002467 0.006653 -0.005190 0.006803 0.001059 -0.008780 34O 1s -0.002054 0.007342 0.008154 -0.002251 -0.004126 0.004299 34O 2s -0.005053 0.025285 0.027724 -0.007485 -0.014622 0.015964 34O 3s 0.000230 -0.165642 -0.183449 0.056596 0.102400 -0.126510 34O 4s 0.149001 0.246139 0.353656 -0.134250 -0.237849 0.452057 34O 5s -0.561251 -0.276690 -1.470416 -0.125622 0.418316 -0.521778 34O 1pz 0.036689 -0.054742 -0.019246 -0.052396 -0.257546 0.258295 34O 1px -0.050936 0.053441 0.058468 -0.011188 -0.080576 0.097379 34O 1py -0.041882 -0.075785 0.101601 -0.063821 -0.219707 0.302102 34O 2pz -0.067537 0.092741 -0.002582 0.090575 0.367775 -0.411002 34O 2px 0.053296 -0.097091 -0.166262 -0.043194 0.126025 -0.079206 34O 2py 0.072799 0.144947 -0.064708 0.112958 0.289315 -0.444568 34O 3pz 0.141651 -0.081175 0.133642 0.068319 -0.345695 0.435572 34O 3px -0.012178 0.058711 -0.477118 -0.073822 -0.005972 0.193124 34O 3py -0.234919 -0.028083 0.078536 -0.086022 -0.222348 0.081367 34O 1dz2 0.002349 0.004189 0.002214 0.003232 -0.002069 0.000605 34O 1dxz -0.005839 -0.000527 -0.000308 0.000695 0.005356 -0.004048 34O 1dyz 0.011700 -0.000851 0.002074 0.000719 -0.003679 0.005954 34O 1dx2y2 0.006702 0.002471 0.004110 -0.000496 0.003325 -0.008092 34O 1dxy 0.008570 0.003610 0.000915 0.002314 0.001350 -0.004522 34O 2dz2 0.047296 0.030077 0.058869 0.020114 -0.054781 0.040912 34O 2dxz -0.077588 -0.022126 -0.050000 0.006687 -0.035412 -0.000721 34O 2dyz 0.154727 0.014281 0.032034 0.033970 -0.039965 0.100380 34O 2dx2y2 0.094718 0.039920 -0.000241 -0.002231 -0.045017 0.047384 34O 2dxy 0.094853 0.050622 0.126366 -0.005642 -0.062596 0.048071 34O 1f0 0.003087 -0.002033 -0.001972 -0.002345 -0.000430 0.010754 34O 1f+1 -0.002096 0.001088 0.002025 0.000445 0.005514 -0.004229 34O 1f-1 0.006523 -0.002197 -0.000407 0.000769 -0.001944 0.003767 34O 1f+2 0.012186 0.004610 0.002087 0.005032 -0.008927 0.004855 34O 1f-2 -0.004146 -0.002255 0.006733 -0.000435 0.002444 -0.001660 34O 1f+3 0.009803 -0.003134 -0.004627 0.000495 -0.001735 0.004899 34O 1f-3 0.013190 -0.004014 -0.003638 -0.008184 0.008045 -0.004819 35O 1s -0.000043 0.008461 0.006141 -0.009361 0.000362 0.002958 35O 2s -0.000245 0.029751 0.020055 -0.034376 0.000844 0.009729 35O 3s 0.008255 -0.220526 -0.119529 0.267907 -0.007165 -0.049698 35O 4s -0.083946 0.571134 0.082505 -0.874355 0.032687 -0.026434 35O 5s 0.176958 -1.021038 -0.753047 1.760742 0.300236 -0.342279 35O 1pz 0.023074 0.112084 0.090405 0.483465 0.031022 -0.139233 35O 1px -0.041442 0.170156 0.042876 0.009968 -0.045049 -0.074392 35O 1py 0.101239 -0.252616 -0.046023 -0.280372 0.061618 0.266130 35O 2pz -0.005755 -0.227076 -0.119095 -0.611736 -0.000510 0.174418 35O 2px 0.032076 -0.200548 -0.130257 -0.081579 0.118475 0.017687 35O 2py -0.133613 0.385314 0.019355 0.508480 -0.031070 -0.430044 35O 3pz -0.005955 0.137749 0.003385 0.142755 0.043476 -0.323090 35O 3px -0.034748 -0.172418 -0.582323 0.240240 0.033324 -0.401833 35O 3py 0.053899 -0.176348 -0.363193 -0.355738 0.119749 0.220519 35O 1dz2 0.000147 -0.002620 0.001911 -0.006374 0.001106 0.001990 35O 1dxz 0.000304 -0.001660 0.004530 -0.011061 0.000646 0.002046 35O 1dyz -0.000833 0.001420 -0.001798 0.007350 0.002693 -0.001305 35O 1dx2y2 0.001155 -0.007417 0.000185 -0.006307 -0.003191 0.007263 35O 1dxy -0.002359 0.002776 0.002923 0.006664 -0.001403 -0.002348 35O 2dz2 0.002783 -0.022175 0.090789 0.064711 -0.018140 -0.003434 35O 2dxz 0.044633 -0.068741 0.034864 0.116922 0.035237 -0.036529 35O 2dyz 0.031360 -0.062835 0.005630 0.248926 0.024628 0.005872 35O 2dx2y2 -0.026883 -0.014095 -0.019820 -0.077053 -0.034960 -0.042051 35O 2dxy 0.011525 -0.039101 -0.042203 0.116796 0.020022 0.015899 35O 1f0 0.000322 0.009745 -0.007487 0.001686 0.001288 0.008276 35O 1f+1 0.004212 -0.002484 -0.002941 -0.010140 0.002100 0.009272 35O 1f-1 0.000313 -0.007213 0.004078 0.011107 0.002087 0.001327 35O 1f+2 0.001174 -0.002026 0.006291 -0.004549 -0.002954 0.003237 35O 1f-2 0.000431 -0.005511 0.004165 0.003486 0.001169 -0.006602 35O 1f+3 0.003677 0.008545 0.000346 0.014350 0.001097 0.006928 35O 1f-3 -0.003610 -0.003690 0.002377 -0.006593 -0.003312 -0.007054 468 469 470 471 472 473 2.75820 2.77197 2.77532 2.78575 2.79351 2.80279 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s -0.000095 -0.000922 -0.000157 -0.001449 -0.000217 0.000646 0Rh 2s 0.003902 0.004374 -0.000843 0.020340 0.003013 -0.012229 0Rh 3s 0.001813 -0.002799 -0.001444 0.003793 0.000549 -0.003614 0Rh 4s -0.020362 -0.022955 0.004410 -0.105948 -0.015638 0.063699 0Rh 5s 0.052189 0.035551 -0.017187 0.238609 0.034157 -0.150043 0Rh 6s -0.084083 0.005900 0.046480 -0.273012 -0.030395 0.194199 0Rh 7s 0.301482 0.021479 -0.174053 0.657919 -0.071359 -0.647906 0Rh 8s -0.007252 -0.115626 -0.050033 -0.026506 0.114912 0.147338 0Rh 1pz 0.003633 -0.011397 -0.001907 -0.010824 0.000361 -0.000294 0Rh 1px 0.001315 -0.001867 -0.003569 -0.004104 0.001862 0.000984 0Rh 1py -0.004692 0.001033 0.012604 -0.002241 -0.012835 -0.001607 0Rh 2pz -0.013467 0.041821 0.007067 0.039662 -0.000797 0.001407 0Rh 2px -0.004455 0.007459 0.013049 0.016171 -0.007012 -0.004644 0Rh 2py 0.017293 -0.003976 -0.046533 0.008500 0.047045 0.005689 0Rh 3pz 0.020627 -0.054448 -0.010580 -0.052181 -0.009772 -0.008828 0Rh 3px -0.001454 -0.022368 -0.016502 -0.044586 0.012964 0.027305 0Rh 3py -0.025186 0.008967 0.068909 -0.016350 -0.060489 -0.003021 0Rh 4pz 0.013464 -0.087443 -0.009847 -0.067043 0.045771 0.027318 0Rh 4px 0.036826 0.037650 -0.025766 0.067429 -0.002181 -0.077287 0Rh 4py -0.017585 -0.006846 0.044571 0.001799 -0.097156 -0.030268 0Rh 5pz -0.034415 0.220601 0.031362 0.111069 -0.080606 -0.052330 0Rh 5px -0.060871 -0.065371 0.047057 -0.115918 -0.001058 0.129491 0Rh 5py 0.023189 0.002160 -0.060201 0.016103 0.219535 0.062128 0Rh 6pz -0.085421 -0.545781 0.059941 0.123783 -0.063999 -0.001898 0Rh 6px 0.016704 0.308455 0.018059 0.156780 -0.090161 -0.152598 0Rh 6py 0.029762 0.162846 -0.116479 0.258265 -0.166998 -0.014311 0Rh 1dz2 0.000118 -0.001939 0.007064 0.014797 0.009542 -0.006161 0Rh 1dxz 0.003323 -0.013849 -0.004093 0.001318 0.002495 -0.007335 0Rh 1dyz 0.012494 -0.006672 0.015021 -0.007761 -0.020097 -0.002923 0Rh 1dx2y2 -0.008217 0.009565 0.004994 -0.018008 -0.008490 0.008625 0Rh 1dxy -0.000360 0.000853 0.021712 -0.003565 -0.007689 -0.000183 0Rh 2dz2 0.000578 0.002605 0.000301 0.000096 0.004509 0.000312 0Rh 2dxz -0.000356 0.001224 0.000139 -0.001471 -0.001528 0.000546 0Rh 2dyz 0.002922 0.002950 -0.000329 -0.000663 0.008334 -0.000291 0Rh 2dx2y2 0.000421 -0.001978 -0.000425 0.000950 0.002912 -0.001240 0Rh 2dxy 0.000953 0.000121 0.000914 0.000996 0.004024 -0.000820 0Rh 3dz2 -0.002876 -0.006259 -0.022261 -0.044260 -0.049191 0.016798 0Rh 3dxz -0.008022 0.035323 0.011501 0.002871 -0.000440 0.019152 0Rh 3dyz -0.050420 0.006046 -0.042907 0.026037 0.021019 0.009983 0Rh 3dx2y2 0.022232 -0.019289 -0.012872 0.048746 0.011873 -0.019749 0Rh 3dxy -0.003436 -0.003186 -0.068438 0.005947 0.004140 0.004382 0Rh 4dz2 0.007573 0.040202 0.007586 0.008204 0.077953 0.003101 0Rh 4dxz -0.006636 0.014476 0.000677 -0.022648 -0.023016 0.007045 0Rh 4dyz 0.054923 0.045017 0.000896 -0.013581 0.126692 -0.005351 0Rh 4dx2y2 0.003909 -0.026241 -0.004161 0.010107 0.041734 -0.017878 0Rh 4dxy 0.017191 0.003389 0.022576 0.014187 0.063437 -0.013609 0Rh 5dz2 -0.016497 -0.141896 0.052491 0.118518 -0.179575 -0.086185 0Rh 5dxz 0.082770 -0.203535 -0.055915 0.095751 0.110413 -0.110461 0Rh 5dyz -0.118295 -0.218290 0.175118 -0.031133 -0.639945 -0.022171 0Rh 5dx2y2 -0.109427 0.173306 0.074716 -0.239708 -0.230607 0.167482 0Rh 5dxy -0.084306 -0.016409 0.155873 -0.089189 -0.312120 0.042662 0Rh 1f0 0.022987 -0.020952 -0.067920 -0.049410 0.031671 0.014649 0Rh 1f+1 0.016084 0.006638 -0.019733 0.026292 0.000038 -0.005625 0Rh 1f-1 0.018157 0.007535 -0.083308 0.081525 0.026176 0.007978 0Rh 1f+2 0.043531 -0.003259 -0.053677 -0.058026 0.016816 -0.017330 0Rh 1f-2 0.048804 0.019546 -0.095967 0.003089 0.083939 0.001806 0Rh 1f+3 -0.022738 0.012966 0.040578 0.076686 -0.046057 -0.017454 0Rh 1f-3 0.013259 0.013907 -0.020430 0.005812 -0.011175 -0.003818 1Rh 1s -0.000106 0.000901 -0.000151 -0.001434 0.000330 0.000716 1Rh 2s 0.003938 -0.004502 -0.000898 0.020281 -0.004500 -0.012487 1Rh 3s 0.001769 0.002599 -0.001438 0.003845 -0.000785 -0.003355 1Rh 4s -0.020537 0.023624 0.004690 -0.105640 0.023384 0.065064 1Rh 5s 0.052225 -0.038030 -0.017671 0.238224 -0.051350 -0.151877 1Rh 6s -0.082772 0.000465 0.046401 -0.273540 0.049090 0.193240 1Rh 7s 0.290550 -0.042483 -0.170196 0.660027 0.024796 -0.666743 1Rh 8s -0.005698 0.110868 -0.049911 -0.022510 -0.107849 0.177149 1Rh 1pz -0.002933 -0.011233 0.001517 0.010495 -0.000365 0.001314 1Rh 1px -0.001301 -0.001841 0.003511 0.004202 0.001410 -0.000527 1Rh 1py 0.005492 0.001653 -0.013061 0.001428 -0.012272 0.001693 1Rh 2pz 0.010918 0.041219 -0.005615 -0.038466 0.001863 -0.005090 1Rh 2px 0.004415 0.007378 -0.012833 -0.016526 -0.005258 0.003066 1Rh 2py -0.020306 -0.006252 0.048226 -0.005521 0.044982 -0.006037 1Rh 3pz -0.017740 -0.053547 0.008257 0.050863 -0.013255 0.012427 1Rh 3px 0.001351 -0.022520 0.016094 0.044911 0.008637 -0.027294 1Rh 3py 0.030670 0.012084 -0.071409 0.012599 -0.057746 0.004142 1Rh 4pz -0.006396 -0.087219 0.008613 0.063702 0.041041 -0.015406 1Rh 4px -0.036245 0.038806 0.025838 -0.066089 0.002955 0.088881 1Rh 4py 0.017784 -0.003565 -0.046877 -0.008374 -0.093977 0.028261 1Rh 5pz 0.017893 0.221717 -0.026998 -0.103996 -0.072127 0.029068 1Rh 5px 0.060542 -0.067018 -0.046818 0.112764 -0.009577 -0.152538 1Rh 5py -0.029884 -0.003021 0.066703 -0.000903 0.215048 -0.058814 1Rh 6pz 0.113900 -0.543768 -0.078736 -0.138116 -0.043271 -0.000046 1Rh 6px -0.039012 0.309968 -0.021304 -0.148551 -0.072437 0.207651 1Rh 6py 0.024525 0.164393 0.101686 -0.272765 -0.158739 0.000723 1Rh 1dz2 -0.000620 0.001534 0.007180 0.014857 -0.010930 -0.005945 1Rh 1dxz 0.003164 0.012873 -0.003537 0.001112 -0.002426 -0.004381 1Rh 1dyz 0.013347 0.006871 0.015667 -0.006547 0.020211 -0.004071 1Rh 1dx2y2 -0.007395 -0.008793 0.004971 -0.018481 0.009528 0.008474 1Rh 1dxy -0.001800 -0.001506 0.022383 -0.003148 0.007023 -0.001248 1Rh 2dz2 0.000414 -0.002521 0.000154 -0.000234 -0.004529 0.000548 1Rh 2dxz -0.000288 -0.001257 0.000195 -0.001488 0.001617 0.000512 1Rh 2dyz 0.002821 -0.002787 -0.000676 -0.001230 -0.008281 0.000395 1Rh 2dx2y2 0.000404 0.001989 -0.000492 0.000858 -0.002984 -0.000747 1Rh 2dxy 0.000822 -0.000147 0.000791 0.000774 -0.004141 -0.000405 1Rh 3dz2 0.000052 0.007077 -0.021925 -0.042911 0.053399 0.015056 1Rh 3dxz -0.007862 -0.032290 0.009600 0.003570 -0.000181 0.010500 1Rh 3dyz -0.052461 -0.007393 -0.043206 0.025072 -0.021607 0.010211 1Rh 3dx2y2 0.019881 0.016969 -0.012493 0.050578 -0.014601 -0.021560 1Rh 3dxy 0.001421 0.005233 -0.069852 0.005745 -0.001623 0.005645 1Rh 4dz2 0.004616 -0.039156 0.005247 0.002876 -0.078883 0.007057 1Rh 4dxz -0.005612 -0.015367 0.001778 -0.023092 0.024542 0.008255 1Rh 4dyz 0.053527 -0.042183 -0.004533 -0.022348 -0.125707 0.005414 1Rh 4dx2y2 0.003977 0.026558 -0.005237 0.008384 -0.042647 -0.010121 1Rh 4dxy 0.014577 -0.003988 0.020811 0.010606 -0.065522 -0.007573 1Rh 5dz2 -0.012370 0.133927 0.061892 0.138180 0.168082 -0.098722 1Rh 5dxz 0.076250 0.196511 -0.053375 0.095449 -0.115139 -0.087373 1Rh 5dyz -0.104305 0.207700 0.201190 0.011695 0.635430 -0.071058 1Rh 5dx2y2 -0.100892 -0.164532 0.077614 -0.238613 0.245655 0.140923 1Rh 5dxy -0.092767 0.011253 0.169868 -0.070730 0.311548 0.012186 1Rh 1f0 -0.020424 -0.024038 0.067210 0.049731 0.025340 -0.013064 1Rh 1f+1 -0.015962 0.005647 0.019685 -0.024859 0.000712 0.001884 1Rh 1f-1 -0.013948 0.001123 0.083161 -0.078333 0.027206 -0.013037 1Rh 1f+2 -0.042974 -0.001298 0.053809 0.056512 0.011014 0.028533 1Rh 1f-2 -0.043000 0.014935 0.097768 0.001825 0.079176 -0.001546 1Rh 1f+3 0.019145 0.015133 -0.040714 -0.077183 -0.038853 0.013348 1Rh 1f-3 -0.010094 0.013595 0.019365 -0.005802 -0.011540 0.008036 2C 1s 0.007196 0.004810 0.006301 -0.006507 0.001530 0.003552 2C 2s 0.023482 0.013436 0.025240 -0.026163 0.003466 0.012272 2C 3s -0.241502 0.088421 -0.802952 0.849809 0.202354 -0.315780 2C 4s 0.787744 -0.950079 3.957239 -4.008799 -1.345280 1.396223 2C 5s 1.728338 0.985968 0.960766 -0.637713 -0.485986 0.733694 2C 1pz -0.098551 0.029247 -0.277414 0.299787 0.084581 -0.118062 2C 1px -0.029509 -0.058252 -0.008993 0.015287 -0.033127 -0.031700 2C 1py -0.073134 -0.010625 -0.170948 0.181413 0.041748 -0.089375 2C 2pz 1.248040 -0.288547 2.937570 -3.125505 -0.899010 1.096795 2C 2px 0.421257 0.403316 0.447096 -0.391547 0.033825 0.363963 2C 2py 0.739820 -0.181334 2.021678 -1.878832 -0.627645 0.987074 2C 3pz 0.406675 0.160771 0.388195 -0.250766 -0.215123 0.246577 2C 3px 0.097500 0.150044 0.036074 -0.075500 0.062246 0.054550 2C 3py 0.164329 -0.102427 0.286147 -0.277377 -0.036177 -0.089632 2C 1dz2 -0.081500 -0.069874 -0.017663 0.039849 -0.007119 -0.038468 2C 1dxz -0.003669 0.065844 -0.089388 0.068257 0.038457 -0.009056 2C 1dyz -0.067693 0.004427 -0.120488 0.097581 0.006709 -0.024299 2C 1dx2y2 0.018862 -0.024898 0.023838 -0.045563 -0.022430 -0.005596 2C 1dxy -0.028881 -0.006254 -0.029938 0.040731 -0.002665 0.011388 2C 2dz2 0.327403 -0.093475 0.718257 -0.749922 -0.290128 0.306424 2C 2dxz 0.120692 -0.041523 0.366424 -0.287095 -0.119789 0.196459 2C 2dyz 0.476109 0.024723 0.986181 -0.983473 -0.233666 0.457957 2C 2dx2y2 -0.081067 0.337775 -0.481595 0.531485 0.227564 0.007007 2C 2dxy 0.126253 0.068870 0.096407 -0.236393 0.069137 -0.044269 2C 1f0 -0.054355 -0.106124 0.086554 -0.072261 -0.011963 -0.047286 2C 1f+1 -0.005508 0.018545 -0.004881 0.017924 0.001355 -0.025760 2C 1f-1 -0.005989 -0.021256 0.046517 -0.055540 -0.026796 0.030852 2C 1f+2 -0.037486 -0.028875 -0.035911 0.045548 0.041810 -0.077203 2C 1f-2 -0.020557 -0.015805 -0.025346 0.004195 -0.011281 -0.005702 2C 1f+3 0.005464 0.005319 -0.029934 0.020260 0.002361 0.000911 2C 1f-3 0.003900 -0.012748 0.030178 -0.021302 -0.002373 -0.008623 3C 1s -0.015055 -0.000745 -0.002672 -0.002602 -0.007622 0.005583 3C 2s -0.053046 -0.003127 -0.011848 -0.013119 -0.024676 0.018674 3C 3s 0.842735 0.173191 0.545982 0.588309 0.290085 -0.457320 3C 4s -3.278895 -1.028631 -2.924225 -2.844690 -0.819211 2.066765 3C 5s -2.073808 -0.937765 -0.921025 0.434107 -0.596477 1.631866 3C 1pz 0.187947 0.048139 0.132238 0.115415 0.043802 -0.107550 3C 1px 0.155803 0.015221 0.004183 0.035188 0.130087 -0.077450 3C 1py -0.307525 -0.072581 -0.179331 -0.202714 -0.108249 0.170742 3C 2pz -1.474050 -0.718952 -1.389377 -1.253827 -0.118231 1.145811 3C 2px -1.732190 -0.284637 -0.312749 -0.592437 -0.977505 0.857319 3C 2py 3.726930 0.911697 2.018838 1.983875 0.998536 -1.683590 3C 3pz -0.303309 -0.097539 -0.226535 -0.150766 0.144116 0.040124 3C 3px -0.137798 -0.079185 -0.185634 -0.045023 -0.041066 0.087919 3C 3py 0.505886 0.225879 0.331793 -0.034812 0.139980 -0.435282 3C 1dz2 -0.112770 0.041152 0.012655 0.006389 -0.074076 -0.001554 3C 1dxz 0.029691 0.023031 0.059927 0.037440 -0.041582 -0.003310 3C 1dyz -0.215483 -0.006395 -0.007120 -0.043979 -0.077711 0.024353 3C 1dx2y2 -0.116144 -0.011440 -0.009308 -0.001025 -0.048101 0.056534 3C 1dxy -0.053368 -0.073257 -0.119708 -0.117592 0.083026 0.014926 3C 2dz2 0.392231 -0.003631 0.025118 0.085302 0.255609 -0.072714 3C 2dxz -0.277856 -0.214411 -0.541041 -0.406041 0.208659 0.103480 3C 2dyz 1.390336 0.202009 0.449713 0.601657 0.429327 -0.467814 3C 2dx2y2 0.621826 0.331210 0.620027 0.485357 -0.029471 -0.491666 3C 2dxy 0.692186 0.245658 0.300222 0.338351 0.316457 -0.442064 3C 1f0 -0.037400 0.030140 0.022576 0.031674 -0.047667 -0.015949 3C 1f+1 -0.022680 0.003622 -0.044916 -0.017587 0.016673 0.000750 3C 1f-1 0.092426 0.012715 -0.012809 -0.041993 0.101268 -0.072156 3C 1f+2 0.010201 0.043444 0.057210 0.066844 0.005002 -0.052286 3C 1f-2 0.037500 0.011782 -0.002072 -0.021406 0.047619 -0.062837 3C 1f+3 -0.021422 0.028736 0.031916 0.024845 -0.018624 -0.006505 3C 1f-3 -0.028204 0.027394 0.087500 0.078575 -0.060421 0.021052 4C 1s -0.005101 -0.004659 -0.009309 0.007099 -0.001356 -0.001624 4C 2s -0.016329 -0.013887 -0.035310 0.031030 -0.002368 -0.009982 4C 3s 0.413842 0.196113 0.909576 -1.005656 -0.145957 0.401320 4C 4s -1.881067 -0.543003 -4.096793 4.519537 0.917230 -1.740717 4C 5s -0.666317 -0.742009 -0.118734 0.471215 0.074098 -0.550368 4C 1pz -0.031327 0.106719 -0.225544 0.206753 0.104297 -0.061651 4C 1px -0.020195 0.030099 -0.013379 0.034860 -0.028606 0.003034 4C 1py -0.036794 0.055165 -0.128253 0.137860 0.057954 -0.045961 4C 2pz 0.782187 -0.599318 2.721618 -2.657081 -0.934959 1.046045 4C 2px 0.232471 -0.337946 0.481683 -0.574023 -0.147196 0.116925 4C 2py 0.577841 -0.420116 1.750870 -1.781785 -0.629426 0.712153 4C 3pz 0.705219 0.067191 0.852290 -0.354800 -0.096062 -0.360112 4C 3px -0.056132 -0.535747 0.572811 -0.172687 -0.224883 -0.273570 4C 3py 0.710482 0.345423 0.710311 -0.085125 -0.432241 0.480375 4C 1dz2 0.018778 0.013330 -0.028040 -0.011444 -0.012074 0.029176 4C 1dxz 0.026929 0.071707 -0.000789 -0.001225 0.036360 0.067321 4C 1dyz -0.022540 -0.011849 0.028427 -0.007819 -0.052798 0.018176 4C 1dx2y2 0.050847 0.048265 -0.042870 0.041343 -0.033419 0.034149 4C 1dxy -0.022995 -0.086528 0.038953 -0.069521 0.001236 -0.029457 4C 2dz2 -0.318148 0.062573 -0.681596 0.631952 0.225915 -0.358470 4C 2dxz -0.086678 0.353711 -0.732418 0.540775 0.390507 -0.208307 4C 2dyz -0.411738 0.037882 -1.054854 1.045630 0.387172 -0.477491 4C 2dx2y2 0.109363 -0.347606 0.615294 -0.475687 -0.231389 -0.013617 4C 2dxy 0.052232 0.341661 -0.362978 0.525096 0.168718 0.019864 4C 1f0 -0.036340 -0.086883 0.072010 -0.058869 -0.021065 -0.036306 4C 1f+1 0.056343 0.053593 -0.012867 -0.039347 -0.039824 0.090631 4C 1f-1 0.042675 -0.003675 0.051311 -0.071133 0.007283 0.000693 4C 1f+2 -0.071227 -0.077710 -0.027764 0.044794 0.046244 -0.104566 4C 1f-2 -0.038728 -0.026946 -0.012722 0.018355 0.066214 -0.097334 4C 1f+3 0.047990 0.065543 0.025898 0.004512 -0.055334 0.089650 4C 1f-3 -0.049782 -0.110938 0.063463 -0.090819 -0.006476 -0.055099 5C 1s 0.011970 -0.001482 0.005049 0.004810 0.007833 -0.002181 5C 2s 0.044029 -0.003237 0.019078 0.021823 0.028600 -0.012891 5C 3s -1.239709 -0.123943 -0.509147 -0.688083 -0.578240 0.534409 5C 4s 5.544992 0.886207 2.401741 2.996146 2.130757 -2.390960 5C 5s 0.823171 0.210350 0.140183 -0.040846 0.421930 -0.855603 5C 1pz 0.113840 0.045165 0.092658 0.092379 0.000834 -0.060976 5C 1px 0.068200 0.055421 0.044629 0.023514 0.026005 -0.038765 5C 1py -0.174867 -0.084951 -0.167520 -0.156860 0.025442 0.088421 5C 2pz -1.597390 -0.484893 -1.072840 -1.064746 -0.385020 0.905858 5C 2px -0.992578 -0.619956 -0.799677 -0.690660 -0.158293 0.651381 5C 2py 2.698151 0.915076 1.920842 1.861664 0.519233 -1.498693 5C 3pz -0.395654 -0.432028 -0.543304 0.514438 -0.389680 0.882256 5C 3px -0.085207 -0.402125 -0.779053 -0.245302 0.448451 0.179441 5C 3py 0.705144 0.158687 1.035422 -0.225387 -0.195458 -0.162396 5C 1dz2 0.024795 0.050538 0.036398 0.012514 -0.006418 -0.027307 5C 1dxz 0.066036 -0.050928 -0.102945 -0.094780 0.087812 -0.027504 5C 1dyz -0.093942 0.027953 0.053277 0.011059 -0.089064 -0.009707 5C 1dx2y2 0.044800 -0.022240 -0.039812 -0.022223 0.087163 -0.057167 5C 1dxy 0.028059 -0.017077 -0.041684 -0.031540 0.095613 -0.055770 5C 2dz2 -0.135480 -0.084629 -0.242097 -0.313328 0.111049 0.130547 5C 2dxz 0.144938 0.307423 0.862225 0.550551 -0.489720 -0.074166 5C 2dyz -1.115730 -0.283439 -0.442934 -0.540754 -0.486934 0.577341 5C 2dx2y2 -0.855901 -0.345596 -0.557616 -0.313295 -0.340067 0.609526 5C 2dxy -0.560584 -0.232826 -0.691043 -0.502545 0.120592 0.391907 5C 1f0 0.022659 0.039349 0.022589 0.033242 -0.015343 -0.018639 5C 1f+1 -0.023677 0.058827 -0.042914 -0.095408 0.084598 -0.062003 5C 1f-1 0.048466 0.070788 0.022609 -0.042882 0.082097 -0.121114 5C 1f+2 0.070219 -0.062977 0.037182 0.069732 -0.070845 0.091709 5C 1f-2 0.119574 0.014107 -0.044501 -0.005107 0.106427 -0.080379 5C 1f+3 -0.100430 -0.014550 0.005607 -0.001039 -0.023496 0.042707 5C 1f-3 0.015488 0.121436 0.073486 0.093010 -0.021561 -0.101661 6C 1s 0.011289 0.001325 0.005004 0.004500 -0.008136 -0.003266 6C 2s 0.041165 0.002585 0.018961 0.020796 -0.030146 -0.017272 6C 3s -1.160426 0.137207 -0.506531 -0.668533 0.633428 0.639796 6C 4s 5.197331 -0.943186 2.391004 2.934083 -2.380847 -2.838390 6C 5s 0.902322 -0.160481 0.101255 -0.081422 -0.447591 -0.816791 6C 1pz -0.101296 0.047375 -0.094144 -0.094825 0.009522 0.074869 6C 1px -0.061264 0.057409 -0.044415 -0.022885 0.028655 0.043044 6C 1py 0.154673 -0.090097 0.170794 0.162239 0.010307 -0.112420 6C 2pz 1.451157 -0.504462 1.080770 1.069943 -0.489333 -1.058956 6C 2px 0.924878 -0.643695 0.798923 0.694276 -0.227732 -0.767888 6C 2py -2.454554 0.955961 -1.937084 -1.876269 0.701685 1.770444 6C 3pz 0.450630 -0.384413 0.507259 -0.554633 -0.408739 -0.799499 6C 3px 0.124118 -0.393215 0.777932 0.251940 0.409181 -0.205560 6C 3py -0.711855 0.134341 -1.037328 0.236866 -0.187770 0.086508 6C 1dz2 0.021276 -0.051268 0.035998 0.010901 0.004612 -0.034697 6C 1dxz 0.063115 0.055037 -0.104908 -0.095732 -0.078003 -0.015094 6C 1dyz -0.087599 -0.028466 0.055571 0.014680 0.085241 -0.007685 6C 1dx2y2 0.041276 0.022192 -0.042051 -0.023936 -0.084884 -0.059234 6C 1dxy 0.024094 0.020081 -0.043641 -0.034260 -0.094736 -0.051153 6C 2dz2 -0.120370 0.093535 -0.246520 -0.314905 -0.080287 0.180786 6C 2dxz 0.121033 -0.328765 0.877324 0.574883 0.428055 -0.171426 6C 2dyz -1.039233 0.291100 -0.437145 -0.529205 0.534093 0.647271 6C 2dx2y2 -0.782771 0.349987 -0.553884 -0.310722 0.380947 0.661252 6C 2dxy -0.500582 0.241609 -0.705880 -0.517479 -0.062737 0.480609 6C 1f0 -0.031447 0.037440 -0.019794 -0.033273 -0.012105 0.021816 6C 1f+1 0.007109 0.054215 0.049949 0.100881 0.080400 0.052146 6C 1f-1 -0.052784 0.066114 -0.016764 0.048844 0.086069 0.121523 6C 1f+2 -0.057196 -0.057279 -0.043308 -0.073112 -0.069809 -0.086096 6C 1f-2 -0.117301 0.010277 0.048861 0.009857 0.105651 0.071795 6C 1f+3 0.095117 -0.014054 -0.004975 -0.000616 -0.023580 -0.040395 6C 1f-3 -0.025284 0.120127 -0.070109 -0.091906 -0.009834 0.111599 7C 1s -0.005466 0.004339 -0.009260 0.007593 0.001065 -0.002590 7C 2s -0.017355 0.012675 -0.035376 0.032737 0.000981 -0.013710 7C 3s 0.423503 -0.158655 0.924890 -1.032372 0.194413 0.484740 7C 4s -1.880198 0.380080 -4.185806 4.610227 -1.126442 -2.067553 7C 5s -0.717711 0.701102 -0.092188 0.479480 -0.114116 -0.542577 7C 1pz 0.019263 0.107191 0.236230 -0.203883 0.110734 0.068981 7C 1px 0.016724 0.031660 0.013656 -0.035346 -0.027150 0.001205 7C 1py 0.028858 0.057050 0.135377 -0.137449 0.064111 0.053826 7C 2pz -0.670506 -0.644337 -2.821650 2.660096 -1.041846 -1.182493 7C 2px -0.205732 -0.346973 -0.497515 0.560438 -0.164108 -0.161223 7C 2py -0.505733 -0.453887 -1.828534 1.791391 -0.708704 -0.818982 7C 3pz -0.745162 0.039570 -0.848891 0.338253 -0.086536 0.393460 7C 3px 0.045951 -0.511472 -0.585465 0.140841 -0.197738 0.281899 7C 3py -0.701127 0.352791 -0.718808 0.047015 -0.450280 -0.471724 7C 1dz2 0.015045 -0.012280 -0.028126 -0.010944 0.015743 0.027072 7C 1dxz 0.022970 -0.067096 -0.001021 -0.008429 -0.030870 0.072804 7C 1dyz -0.020109 0.011193 0.030351 -0.006128 0.052453 0.016103 7C 1dx2y2 0.049314 -0.044278 -0.040864 0.041137 0.037412 0.030584 7C 1dxy -0.021907 0.080494 0.038074 -0.065087 -0.002151 -0.026412 7C 2dz2 -0.286157 -0.080543 -0.698002 0.634017 -0.253904 -0.397047 7C 2dxz -0.063018 -0.336405 -0.764939 0.517752 -0.409480 -0.217467 7C 2dyz -0.382673 -0.073339 -1.096871 1.060801 -0.437482 -0.541486 7C 2dx2y2 0.083463 0.338161 0.641124 -0.465417 0.236720 -0.002823 7C 2dxy 0.044933 -0.320940 -0.371872 0.501980 -0.178829 0.007290 7C 1f0 0.034200 -0.082135 -0.072917 0.054370 -0.018569 0.036425 7C 1f+1 -0.049674 0.050092 0.010142 0.037422 -0.047449 -0.092909 7C 1f-1 -0.042419 -0.006866 -0.052441 0.071471 0.004952 -0.001375 7C 1f+2 0.066149 -0.074490 0.028253 -0.043092 0.053042 0.107493 7C 1f-2 0.030878 -0.033929 0.014926 -0.011568 0.072305 0.102448 7C 1f+3 -0.040046 0.068351 -0.026368 -0.010307 -0.058350 -0.087706 7C 1f-3 0.041726 -0.112677 -0.066109 0.091986 -0.005597 0.051820 8C 1s -0.014369 0.000669 -0.002471 -0.002251 0.007947 0.005616 8C 2s -0.050292 0.003079 -0.011320 -0.012076 0.026036 0.019567 8C 3s 0.768453 -0.187873 0.550929 0.584543 -0.344550 -0.545980 8C 4s -2.938742 1.110656 -2.965482 -2.860169 1.088173 2.534919 8C 5s -2.160610 0.828404 -0.846546 0.506868 0.633797 1.458429 8C 1pz -0.171550 0.050076 -0.132932 -0.114818 0.056425 0.124895 8C 1px -0.145743 0.014172 -0.001333 -0.030207 0.132615 0.080894 8C 1py 0.285278 -0.075966 0.179771 0.200804 -0.126566 -0.200235 8C 2pz 1.380358 -0.740488 1.396017 1.258671 -0.257181 -1.315265 8C 2px 1.616286 -0.279327 0.298269 0.565309 -1.027897 -0.909374 8C 2py -3.449594 0.948248 -2.020323 -1.970961 1.181565 1.972385 8C 3pz 0.293317 -0.096059 0.232273 0.156094 0.136017 -0.042778 8C 3px 0.137844 -0.076901 0.181724 0.036015 -0.053316 -0.084008 8C 3py -0.516032 0.206145 -0.317708 0.049130 0.158424 0.416708 8C 1dz2 -0.102221 -0.041562 0.013814 0.008306 0.072210 0.002966 8C 1dxz 0.030263 -0.024196 0.060144 0.039080 0.036871 -0.007613 8C 1dyz -0.203817 0.006390 -0.005923 -0.041989 0.077788 0.027047 8C 1dx2y2 -0.111043 0.009691 -0.008106 0.000973 0.049263 0.051084 8C 1dxy -0.053472 0.075427 -0.121058 -0.119244 -0.071698 0.031328 8C 2dz2 0.369850 0.003376 0.015060 0.075156 -0.262181 -0.092532 8C 2dxz -0.260556 0.228916 -0.544295 -0.415452 -0.165400 0.167575 8C 2dyz 1.286271 -0.211195 0.448460 0.594614 -0.474972 -0.547410 8C 2dx2y2 0.586924 -0.337954 0.625914 0.492488 -0.026790 -0.556082 8C 2dxy 0.649439 -0.246807 0.296363 0.327507 -0.349660 -0.476354 8C 1f0 0.033348 0.031217 -0.023135 -0.032638 -0.043520 0.017860 8C 1f+1 0.016843 0.002610 0.045908 0.018239 0.014580 -0.006941 8C 1f-1 -0.085539 0.009851 0.016843 0.047199 0.101052 0.070937 8C 1f+2 -0.005585 0.044185 -0.057506 -0.066905 0.012346 0.061614 8C 1f-2 -0.034365 0.011131 0.003089 0.022308 0.047218 0.064205 8C 1f+3 0.019837 0.029271 -0.031571 -0.024049 -0.014659 0.010414 8C 1f-3 0.026498 0.030445 -0.089539 -0.081286 -0.052799 -0.010898 9C 1s 0.007084 -0.004247 0.006266 -0.006899 -0.001160 0.004063 9C 2s 0.023055 -0.011611 0.025326 -0.027445 -0.002095 0.014331 9C 3s -0.231353 -0.106151 -0.826370 0.860378 -0.240084 -0.377774 9C 4s 0.722826 0.994200 4.094377 -4.024971 1.511408 1.668361 9C 5s 1.716619 -0.894329 0.957115 -0.605419 0.527965 0.665426 9C 1pz 0.093729 0.035993 0.285852 -0.301179 0.098212 0.137064 9C 1px 0.029139 -0.053073 0.007300 -0.020655 -0.031012 0.038313 9C 1py 0.069773 -0.004446 0.176337 -0.185590 0.050479 0.104135 9C 2pz -1.159112 -0.373294 -3.026748 3.138133 -1.031237 -1.262485 9C 2px -0.390182 0.343104 -0.453134 0.435457 0.005278 -0.411168 9C 2py -0.692023 -0.219244 -2.096345 1.900488 -0.713494 -1.109424 9C 3pz -0.400969 0.144153 -0.395872 0.239613 -0.232913 -0.243730 9C 3px -0.103606 0.150666 -0.026468 0.080467 0.054613 -0.064879 9C 3py -0.173676 -0.109539 -0.289634 0.272365 -0.036545 0.092907 9C 1dz2 -0.078063 0.060602 -0.018346 0.044243 0.001767 -0.039580 9C 1dxz -0.003675 -0.059904 -0.090397 0.062698 -0.038573 -0.011687 9C 1dyz -0.063433 -0.007818 -0.123601 0.098356 -0.009253 -0.030471 9C 1dx2y2 0.016975 0.024589 0.025515 -0.043240 0.023144 -0.008968 9C 1dxy -0.029453 0.004122 -0.030855 0.042046 0.000597 0.007816 9C 2dz2 0.301498 0.109750 0.740604 -0.742620 0.322852 0.336414 9C 2dxz 0.111662 0.039390 0.372710 -0.283146 0.131882 0.216978 9C 2dyz 0.441498 0.017867 1.022554 -1.004020 0.281711 0.521606 9C 2dx2y2 -0.075549 -0.326214 -0.499442 0.515586 -0.236575 0.000209 9C 2dxy 0.122600 -0.058386 0.089670 -0.242721 -0.063027 -0.025755 9C 1f0 0.050808 -0.099246 -0.087885 0.068385 -0.008462 0.045674 9C 1f+1 0.004256 0.016419 0.004107 -0.016802 0.002511 0.028878 9C 1f-1 0.008407 -0.022349 -0.048902 0.055507 -0.028778 -0.032432 9C 1f+2 0.031938 -0.027414 0.038318 -0.046110 0.048562 0.081869 9C 1f-2 0.019575 -0.017107 0.024943 -0.005692 -0.009539 0.009642 9C 1f+3 -0.004950 0.007091 0.031293 -0.022524 0.002697 0.002122 9C 1f-3 -0.004762 -0.012001 -0.029857 0.021179 -0.002181 0.007909 10H 1s 0.028554 -0.091670 0.150018 -0.134444 -0.104601 0.022176 10H 2s 0.114059 -0.120781 0.122033 -0.188744 0.001488 -0.070762 10H 3s -0.143665 -0.157134 0.019099 0.028178 -0.042043 -0.078655 10H 1pz -0.040282 -0.071028 -0.086826 0.054287 -0.002585 -0.093460 10H 1px -0.138161 -0.075427 -0.099477 0.115612 -0.026542 -0.054413 10H 1py -0.034431 -0.028244 -0.068901 0.073793 -0.013008 -0.032659 11H 1s 0.029099 0.014282 0.019253 -0.060379 0.006171 0.038452 11H 2s 0.355285 0.315915 0.051070 -0.129344 0.173579 -0.121656 11H 3s -0.179526 -0.109211 -0.030442 0.059367 0.016355 -0.031787 11H 1pz 0.060483 0.076502 -0.091442 0.066780 0.049574 -0.051099 11H 1px 0.135796 0.179648 -0.050797 0.015878 0.075084 0.023526 11H 1py -0.119615 0.040581 -0.228018 0.226607 0.057594 -0.039753 12H 1s 0.052861 0.073625 0.028886 -0.021640 0.003667 0.070023 12H 2s 0.182495 0.144719 0.212279 0.041064 0.002915 0.248952 12H 3s -0.209479 -0.225069 0.007270 -0.044194 0.078840 -0.229061 12H 1pz -0.154744 -0.035134 -0.174909 0.199911 0.076087 -0.116336 12H 1px 0.032144 0.092295 -0.043777 0.064822 0.061587 0.026050 12H 1py 0.065473 0.038110 0.072909 0.027284 -0.008317 0.073273 13H 1s -0.040533 -0.068349 -0.167292 -0.093180 0.084860 0.052776 13H 2s 0.058114 -0.179809 -0.295355 -0.112046 0.333362 0.009638 13H 3s 0.122553 0.136530 0.039498 -0.041558 0.072077 -0.168669 13H 1pz 0.030138 -0.030255 -0.037602 0.043625 0.082942 0.007161 13H 1px 0.230951 0.074521 0.072727 0.072682 0.095766 -0.091566 13H 1py -0.257015 -0.018756 0.001789 -0.046415 -0.210287 0.112457 14H 1s -0.135350 -0.032451 0.022250 0.017999 -0.116495 0.084319 14H 2s -0.299037 -0.077721 0.076946 -0.042302 -0.158178 0.240094 14H 3s 0.254936 0.060581 -0.094910 -0.134925 0.199100 -0.264840 14H 1pz 0.007681 -0.055131 -0.033174 -0.018628 0.041683 0.041614 14H 1px -0.145107 -0.017350 0.083803 0.016936 -0.105022 0.078674 14H 1py -0.324394 -0.059905 -0.120081 -0.095784 -0.087333 0.141491 15H 1s -0.088754 -0.022713 0.015822 -0.049827 -0.067741 0.050937 15H 2s -1.064756 0.169739 0.099244 0.042038 -0.458627 -0.140989 15H 3s 0.382855 0.072037 -0.012258 -0.011740 0.113305 -0.099455 15H 1pz 0.453167 0.046029 0.082167 0.100557 0.126580 -0.088425 15H 1px -0.068092 0.078301 0.177554 0.155939 -0.158337 -0.015251 15H 1py 0.194200 -0.048460 -0.086093 -0.096099 0.112055 0.055920 16H 1s -0.005308 0.018308 -0.006052 0.024798 0.017641 -0.010672 16H 2s -0.043958 0.095408 0.082485 -0.477822 -0.262044 0.258204 16H 3s -0.022367 0.038893 0.035274 -0.038909 -0.056647 -0.006726 16H 1pz -0.030221 0.063620 0.045860 -0.228418 -0.118335 0.119113 16H 1px 0.003317 -0.027348 -0.010959 0.021265 0.031617 -0.004261 16H 1py 0.006612 -0.017552 0.001252 -0.053166 -0.030549 0.030004 17H 1s 0.002129 0.001144 -0.000423 0.028692 0.022754 -0.007679 17H 2s -0.142390 0.321488 0.158140 -0.392637 -0.280856 0.203829 17H 3s -0.005314 -0.010476 0.028243 -0.002191 0.040354 -0.010641 17H 1pz 0.045856 -0.107405 -0.048948 0.120792 0.059343 -0.080014 17H 1px 0.055850 -0.134255 -0.064095 0.127074 0.104749 -0.063479 17H 1py -0.026338 0.054263 0.030597 -0.063221 -0.058639 0.032080 18H 1s 0.003390 -0.002067 -0.000706 0.028221 -0.024186 -0.008123 18H 2s -0.142549 -0.302868 0.155862 -0.393139 0.302195 0.174048 18H 3s -0.003952 0.015414 0.025593 -0.006081 -0.040132 -0.010982 18H 1pz -0.045476 -0.103890 0.048523 -0.123520 0.067704 0.071423 18H 1px -0.052623 -0.126069 0.062196 -0.128494 0.111981 0.051653 18H 1py 0.026801 0.047502 -0.029278 0.057641 -0.060691 -0.025321 19H 1s -0.002467 -0.019033 -0.006731 0.023527 -0.018414 -0.008384 19H 2s -0.070301 -0.076236 0.091340 -0.475128 0.291190 0.221102 19H 3s -0.020476 -0.037360 0.035613 -0.038029 0.056644 -0.012535 19H 1pz 0.041430 0.053985 -0.049459 0.227092 -0.130456 -0.101401 19H 1px -0.004186 -0.025393 0.011217 -0.022670 0.033483 -0.000170 19H 1py 0.002633 -0.018618 -0.005064 0.056685 -0.038473 -0.030484 20H 1s -0.085882 0.022753 0.017620 -0.047827 0.069755 0.057254 20H 2s -0.984337 -0.170991 0.108256 0.056341 0.435912 -0.148200 20H 3s 0.374133 -0.061126 -0.020000 -0.018480 -0.109519 -0.081910 20H 1pz -0.423234 0.046038 -0.080554 -0.097715 0.132754 0.095225 20H 1px 0.067410 0.083704 -0.181668 -0.162679 -0.143716 0.036813 20H 1py -0.180280 -0.051219 0.090455 0.100786 0.099646 -0.068108 21H 1s -0.127173 0.028434 0.025959 0.023152 0.116317 0.080698 21H 2s -0.306632 0.066177 0.082273 -0.034707 0.165501 0.203801 21H 3s 0.268682 -0.042671 -0.107848 -0.144915 -0.196147 -0.229760 21H 1pz 0.000107 -0.053054 0.032348 0.019218 0.036050 -0.034404 21H 1px 0.148198 -0.010736 -0.089128 -0.022633 -0.103157 -0.059958 21H 1py 0.304913 -0.060807 0.118144 0.094708 -0.098723 -0.158807 22H 1s -0.036915 0.070992 -0.169608 -0.098035 -0.072678 0.069213 22H 2s 0.023629 0.185492 -0.294608 -0.116616 -0.311855 0.019402 22H 3s 0.144825 -0.124764 0.026289 -0.054124 -0.078713 -0.150227 22H 1pz -0.020482 -0.028156 0.036317 -0.043644 0.081537 0.002030 22H 1px -0.228469 0.074109 -0.067088 -0.066695 0.104236 0.097468 22H 1py 0.231320 -0.015992 -0.005783 0.038881 -0.213708 -0.117481 23H 1s 0.047804 -0.066245 0.029449 -0.026980 -0.000054 0.077259 23H 2s 0.173419 -0.138220 0.217159 0.032495 -0.000239 0.250108 23H 3s -0.197495 0.208203 0.003968 -0.043347 -0.088008 -0.215506 23H 1pz 0.144468 -0.025179 0.182943 -0.201893 0.088464 0.125497 23H 1px -0.030452 0.086015 0.049302 -0.059607 0.063101 -0.022585 23H 1py -0.061126 0.037381 -0.073204 -0.027432 -0.006478 -0.070514 24H 1s 0.026542 -0.009897 0.020497 -0.062727 -0.002080 0.041928 24H 2s 0.337427 -0.267137 0.046386 -0.157459 -0.165388 -0.117603 24H 3s -0.168150 0.089394 -0.030306 0.059302 -0.018154 -0.020025 24H 1pz -0.056185 0.067923 0.094753 -0.062446 0.050061 0.057417 24H 1px -0.129779 0.160162 0.051565 -0.001408 0.070713 -0.023520 24H 1py 0.108988 0.051145 0.235507 -0.226588 0.064923 0.046642 25H 1s 0.024543 0.087939 0.156890 -0.126989 0.107833 0.022795 25H 2s 0.115391 0.107800 0.118098 -0.171445 -0.002775 -0.078575 25H 3s -0.143128 0.151364 0.028331 0.027587 0.039416 -0.074077 25H 1pz 0.033801 -0.061531 0.088578 -0.063789 0.003209 0.108597 25H 1px 0.132940 -0.068921 0.097232 -0.118631 -0.021796 0.060592 25H 1py 0.032860 -0.024243 0.071195 -0.080804 -0.009021 0.042269 26O 1s 0.000912 -0.007969 0.003589 -0.002726 -0.000918 0.000305 26O 2s 0.003142 -0.027903 0.012885 -0.010768 -0.003927 0.000486 26O 3s -0.021738 0.204037 -0.105447 0.110927 0.052262 -0.003373 26O 4s -0.025087 -0.491446 0.207454 -0.250572 -0.261993 -0.078350 26O 5s -0.116009 1.251706 -0.828161 0.102953 0.782798 0.407280 26O 1pz 0.012954 -0.078339 0.132130 -0.103056 -0.183476 0.062869 26O 1px 0.036896 0.112329 -0.030036 0.047424 -0.026200 0.077820 26O 1py -0.117034 -0.129264 -0.047402 0.030275 0.108373 -0.197456 26O 2pz 0.000166 0.063526 -0.122709 0.105847 0.217310 -0.094394 26O 2px -0.013782 -0.155447 0.037198 0.033649 0.070538 -0.148837 26O 2py 0.176445 0.098730 0.111076 -0.070224 -0.164514 0.251607 26O 3pz -0.022281 -0.024654 0.177011 -0.184394 -0.098853 0.381835 26O 3px 0.034595 -0.262270 0.061147 0.001771 -0.162598 0.211352 26O 3py -0.278886 -0.509998 0.125679 -0.176391 0.175446 -0.363500 26O 1dz2 -0.002232 0.000224 -0.002507 0.001934 0.000932 0.005900 26O 1dxz -0.001740 0.000457 -0.001915 0.001568 0.000412 0.002385 26O 1dyz -0.002287 0.002065 -0.003752 0.002966 0.002977 -0.000621 26O 1dx2y2 0.003891 -0.002029 0.003183 -0.003406 -0.001315 0.003740 26O 1dxy -0.000200 -0.001363 -0.002622 0.001130 0.003672 0.000401 26O 2dz2 -0.016718 -0.020716 0.011088 -0.048086 0.048728 0.037316 26O 2dxz -0.043416 0.080685 -0.160449 0.076023 0.145263 -0.048165 26O 2dyz 0.006080 0.122838 -0.053928 -0.006919 0.117926 0.048895 26O 2dx2y2 -0.011011 -0.121077 0.054497 -0.082348 -0.016484 -0.084906 26O 2dxy 0.020441 0.135574 -0.074187 0.063679 0.056048 0.093527 26O 1f0 -0.004545 -0.009673 0.003205 -0.001467 0.001129 -0.011061 26O 1f+1 -0.001722 -0.005973 0.012115 -0.013237 -0.001479 -0.000535 26O 1f-1 0.000314 -0.000941 0.003636 -0.001756 -0.004934 -0.001455 26O 1f+2 -0.003475 0.003662 -0.003528 0.006371 0.000742 0.000325 26O 1f-2 0.002857 0.004254 0.003893 -0.002652 -0.002440 0.008221 26O 1f+3 -0.009449 -0.012176 0.005048 -0.008287 0.004484 -0.009178 26O 1f-3 0.010653 0.012929 -0.001770 -0.002616 -0.003924 0.014101 27O 1s 0.001658 -0.002568 -0.004927 -0.004188 0.008034 0.000936 27O 2s 0.006647 -0.008622 -0.018848 -0.015483 0.029875 0.002888 27O 3s -0.048354 0.059919 0.161595 0.136956 -0.252238 -0.019092 27O 4s 0.304315 -0.088997 -0.450758 -0.302641 0.849511 -0.093448 27O 5s -0.600370 0.619948 1.453576 0.048148 -1.609632 0.053584 27O 1pz -0.002202 0.267271 0.011754 0.024442 0.130696 -0.226641 27O 1px -0.054374 0.069941 0.107028 0.065483 -0.058353 -0.049156 27O 1py -0.217408 0.253529 0.248991 0.109123 -0.168878 -0.101975 27O 2pz 0.063626 -0.433836 -0.141393 -0.082606 -0.079912 0.332462 27O 2px 0.100294 -0.161155 -0.200549 0.023511 0.029016 0.086048 27O 2py 0.292835 -0.324396 -0.277223 -0.171921 0.211413 0.123029 27O 3pz -0.124944 0.332879 0.039614 -0.360866 0.164328 -0.480996 27O 3px 0.013791 -0.288693 -0.112660 -0.245083 0.229408 0.055852 27O 3py -0.054460 0.480173 0.142637 0.370063 0.109262 -0.361250 27O 1dz2 -0.002677 0.007544 0.002766 -0.001434 0.002144 -0.006089 27O 1dxz -0.001201 0.008189 0.007145 0.001096 -0.002903 -0.003432 27O 1dyz 0.004205 -0.002215 -0.008945 -0.001016 0.006824 0.002497 27O 1dx2y2 -0.005815 -0.000698 -0.001926 0.003513 -0.000741 -0.003781 27O 1dxy -0.004110 0.002162 -0.002867 0.001271 0.003158 -0.000551 27O 2dz2 0.014393 0.004848 -0.004578 0.001245 0.054670 -0.034516 27O 2dxz -0.026981 0.026421 0.202312 0.080800 -0.219895 0.102177 27O 2dyz 0.122116 0.032323 -0.087236 0.036403 0.206895 -0.084077 27O 2dx2y2 0.013835 -0.008664 -0.005610 0.064659 0.039938 -0.016112 27O 2dxy 0.035075 -0.111165 -0.200539 -0.042019 0.185278 0.053161 27O 1f0 -0.014911 -0.003313 0.010042 0.006127 -0.019714 0.009629 27O 1f+1 -0.007435 -0.007588 0.004874 0.003430 -0.012013 0.012084 27O 1f-1 -0.001522 0.002401 0.002587 -0.001782 -0.001061 -0.001935 27O 1f+2 -0.000194 -0.000260 -0.002962 -0.008600 0.005272 -0.005556 27O 1f-2 0.000296 0.006489 0.011612 0.003159 -0.001858 -0.005172 27O 1f+3 -0.006712 0.002273 -0.005499 -0.007434 -0.002330 0.006560 27O 1f-3 0.002602 -0.003319 0.007847 0.011006 -0.013311 0.011640 28O 1s 0.000839 0.000601 -0.001222 -0.001957 0.002286 -0.000770 28O 2s 0.003882 0.005162 -0.006950 -0.003806 0.010058 -0.001693 28O 3s -0.047822 -0.096111 0.098198 -0.014456 -0.105185 -0.005456 28O 4s 0.146977 0.573191 -0.590372 0.457916 0.466566 -0.010060 28O 5s -0.183403 -0.379998 -0.056752 -0.674017 -0.311666 0.191876 28O 1pz 0.118923 0.238732 -0.156006 0.182972 -0.086045 0.167948 28O 1px 0.096783 0.243992 -0.142646 0.161654 0.041263 0.133760 28O 1py -0.245578 -0.316485 0.013549 0.017367 0.159217 -0.358172 28O 2pz -0.189570 -0.514148 0.370532 -0.299127 0.010784 -0.289359 28O 2px -0.093713 -0.189981 0.040402 -0.180571 0.047320 -0.162942 28O 2py 0.352594 0.455630 0.015388 0.028164 -0.274534 0.550671 28O 3pz 0.139974 0.274236 -0.271468 0.015069 -0.298530 0.543184 28O 3px 0.147557 0.273445 -0.158947 0.097142 -0.006572 0.181307 28O 3py -0.218376 -0.331765 -0.173219 -0.144015 0.165152 -0.400750 28O 1dz2 0.000095 0.007377 -0.002869 0.003560 -0.003121 0.008401 28O 1dxz 0.000599 0.007803 -0.002146 0.001254 0.008991 0.005301 28O 1dyz -0.005678 -0.006877 0.000973 -0.006792 -0.001003 -0.006290 28O 1dx2y2 0.002137 -0.002338 0.003863 0.002733 -0.011392 0.004309 28O 1dxy 0.003713 0.004909 0.000217 -0.000426 -0.001948 0.003920 28O 2dz2 -0.071419 -0.066091 0.020870 -0.047825 -0.021296 -0.007094 28O 2dxz 0.017318 0.034687 0.010401 0.002971 0.001850 0.058398 28O 2dyz -0.014498 -0.097517 0.056807 -0.175508 -0.126691 0.058411 28O 2dx2y2 0.050645 0.065759 0.007605 0.050915 -0.034959 0.057336 28O 2dxy 0.011738 0.006532 0.038801 -0.016440 -0.010163 -0.024707 28O 1f0 0.001558 0.001062 -0.002384 -0.004897 0.004757 -0.002299 28O 1f+1 0.001076 -0.000882 0.000537 -0.000532 0.001345 -0.004477 28O 1f-1 -0.002321 -0.002804 0.000510 0.005880 0.002433 -0.003033 28O 1f+2 -0.004483 -0.008215 0.001827 -0.002894 -0.001004 -0.005797 28O 1f-2 0.005599 0.003263 -0.009355 0.004620 0.004297 0.001281 28O 1f+3 -0.002296 -0.004672 0.001170 0.002480 0.000931 -0.004049 28O 1f-3 0.006768 -0.000010 0.007894 -0.007995 -0.009250 0.009121 29O 1s -0.006722 0.007762 0.003839 -0.012917 -0.001473 0.012415 29O 2s -0.022134 0.025024 0.012020 -0.040460 -0.002953 0.040448 29O 3s 0.123982 -0.126228 -0.051815 0.173771 -0.033625 -0.217198 29O 4s -0.132018 0.171817 0.020619 -0.042872 0.135936 0.194903 29O 5s 0.194819 -0.657177 -0.200089 0.565453 0.376098 -0.354916 29O 1pz 0.008440 -0.004815 0.011032 -0.019229 -0.078471 -0.017015 29O 1px 0.001793 -0.134045 -0.045821 0.007454 0.074125 0.053980 29O 1py 0.048304 -0.106859 -0.023824 0.014454 -0.007963 -0.046234 29O 2pz 0.003644 -0.039426 -0.024448 -0.060252 0.091320 0.074682 29O 2px 0.042355 0.097057 0.023736 0.108856 -0.031623 -0.154787 29O 2py -0.115971 0.267129 0.086938 -0.192095 -0.095986 0.164115 29O 3pz 0.024995 -0.041190 -0.001985 -0.109460 -0.083203 0.027458 29O 3px 0.010852 0.044858 -0.066189 0.042412 0.011239 0.035090 29O 3py -0.018875 0.038489 0.067758 -0.193208 -0.116532 0.053853 29O 1dz2 -0.000090 0.003244 0.000394 -0.005237 -0.000706 0.002816 29O 1dxz -0.002048 0.002851 0.001651 -0.002941 -0.002910 0.003115 29O 1dyz 0.000202 -0.000762 -0.000232 -0.001138 0.002391 0.000342 29O 1dx2y2 0.002446 -0.004342 -0.000979 0.004624 0.002026 -0.003879 29O 1dxy 0.001980 -0.001621 -0.002407 0.003388 0.002947 -0.002205 29O 2dz2 0.002617 0.020805 -0.008644 0.053844 0.049414 -0.022623 29O 2dxz 0.011382 -0.039441 -0.022195 0.031041 0.025397 -0.004984 29O 2dyz -0.011299 0.028065 0.011852 0.040902 0.019199 -0.022113 29O 2dx2y2 0.002761 -0.019952 0.007598 -0.013260 0.000998 -0.002904 29O 2dxy -0.020181 0.054792 0.018290 -0.059642 -0.023727 0.040417 29O 1f0 -0.002804 0.004739 0.004209 -0.012546 -0.009339 0.004859 29O 1f+1 0.001305 -0.001830 -0.001960 0.004601 0.004655 -0.002516 29O 1f-1 -0.001275 0.000453 0.003404 -0.015308 -0.009477 0.008197 29O 1f+2 -0.000759 -0.000294 -0.000314 0.002514 0.001442 -0.000162 29O 1f-2 -0.003489 0.007504 0.002910 -0.009572 -0.003288 0.005094 29O 1f+3 -0.001560 0.001960 0.000713 -0.002731 0.000174 0.002876 29O 1f-3 0.000645 -0.004858 -0.000564 0.003001 0.001571 -0.000685 30O 1s 0.003380 0.004533 -0.001810 0.001083 -0.000440 0.000230 30O 2s 0.008209 0.016116 -0.001458 0.006176 -0.005813 0.001424 30O 3s 0.008343 -0.116071 -0.069094 -0.078010 0.125779 -0.028937 30O 4s -0.159756 0.300572 0.616463 0.490356 -0.734143 0.042546 30O 5s -0.066114 -0.229730 0.165011 -0.830981 0.571576 -0.002101 30O 1pz 0.110159 0.174992 -0.100010 -0.222224 0.358278 -0.344080 30O 1px 0.003395 0.108488 0.140156 0.088275 -0.070358 -0.082723 30O 1py 0.001616 0.093656 -0.197291 -0.295456 0.220455 -0.172970 30O 2pz -0.097549 -0.265934 0.057932 0.326077 -0.394686 0.496078 30O 2px -0.125290 -0.129481 -0.000729 -0.057548 -0.110992 0.183566 30O 2py -0.064514 -0.077078 0.450316 0.450382 -0.506345 0.290503 30O 3pz -0.135884 0.371067 0.144020 -0.173467 0.306007 -0.401879 30O 3px -0.154402 0.090319 0.259631 0.009847 -0.083323 -0.120469 30O 3py 0.170615 0.108348 -0.429532 -0.218174 0.249059 -0.530592 30O 1dz2 0.002228 0.003875 -0.003489 -0.004041 0.004387 -0.009795 30O 1dxz -0.000433 0.000595 0.002880 0.001128 -0.010490 -0.000336 30O 1dyz -0.008580 -0.000974 0.006840 0.006082 -0.010463 0.005716 30O 1dx2y2 -0.006951 -0.003111 -0.004388 -0.002695 0.006695 -0.004387 30O 1dxy 0.000612 -0.003124 -0.001456 0.003991 0.005781 -0.000858 30O 2dz2 0.109626 -0.056999 -0.069773 -0.004433 0.043072 -0.002538 30O 2dxz 0.009103 0.033479 -0.000070 -0.041797 0.024299 -0.060601 30O 2dyz -0.050116 0.036953 0.098333 0.157907 -0.178204 -0.010048 30O 2dx2y2 -0.098997 -0.048991 0.002582 0.086379 -0.117225 0.024330 30O 2dxy 0.036389 0.020008 0.036427 0.031150 0.011644 -0.089952 30O 1f0 -0.004245 -0.003315 0.000990 -0.006558 -0.005535 0.005965 30O 1f+1 -0.005842 -0.014009 -0.009432 -0.005585 -0.001301 0.011318 30O 1f-1 -0.005827 0.000129 0.000330 0.003614 -0.001673 -0.004001 30O 1f+2 -0.004157 0.006083 -0.000103 -0.001337 0.001451 -0.005420 30O 1f-2 0.008904 0.001135 -0.009922 -0.005863 0.007400 -0.002885 30O 1f+3 -0.003644 0.002378 0.001182 0.000174 0.004118 -0.005334 30O 1f-3 0.011756 -0.008217 -0.000320 0.000871 0.007318 -0.000435 31O 1s 0.003386 -0.004617 -0.001975 0.001001 0.000539 -0.000568 31O 2s 0.008296 -0.016581 -0.001877 0.006108 0.005818 -0.001799 31O 3s 0.006705 0.122016 -0.069208 -0.082125 -0.120609 0.002848 31O 4s -0.162187 -0.327263 0.635612 0.526401 0.682823 -0.090390 31O 5s -0.102260 0.268073 0.154892 -0.857864 -0.525007 0.177478 31O 1pz -0.139547 0.155230 0.120350 0.241060 0.357278 0.319293 31O 1px -0.010684 0.110429 -0.138989 -0.089422 -0.055536 0.097773 31O 1py -0.029074 0.077423 0.211563 0.307718 0.202855 0.136553 31O 2pz 0.138696 -0.236143 -0.082849 -0.344861 -0.396408 -0.465324 31O 2px 0.136646 -0.127046 -0.008260 0.048034 -0.121581 -0.182688 31O 2py 0.104715 -0.051760 -0.476130 -0.477895 -0.474945 -0.223948 31O 3pz 0.058297 0.348770 -0.110888 0.199990 0.321239 0.399466 31O 3px 0.154408 0.081857 -0.258329 -0.008963 -0.065185 0.091704 31O 3py -0.174692 0.087132 0.443013 0.224173 0.244565 0.491459 31O 1dz2 0.002728 -0.003414 -0.003871 -0.004189 -0.004469 -0.009518 31O 1dxz -0.000575 -0.000579 0.003140 0.001731 0.010344 -0.000782 31O 1dyz -0.008572 0.000481 0.007304 0.006609 0.009987 0.004584 31O 1dx2y2 -0.006487 0.003309 -0.004611 -0.003084 -0.006751 -0.004054 31O 1dxy 0.000104 0.002930 -0.001477 0.003714 -0.006065 -0.001087 31O 2dz2 0.094627 0.058100 -0.067077 -0.003100 -0.038292 -0.000974 31O 2dxz 0.012796 -0.030775 -0.003533 -0.043690 -0.024734 -0.058954 31O 2dyz -0.043173 -0.043265 0.103445 0.166203 0.163434 -0.041640 31O 2dx2y2 -0.096267 0.045477 0.007931 0.091211 0.110093 0.009200 31O 2dxy 0.032053 -0.020000 0.036680 0.031079 -0.018386 -0.096283 31O 1f0 0.004689 -0.003227 -0.001358 0.006353 -0.006053 -0.006433 31O 1f+1 0.006353 -0.013790 0.008989 0.005253 -0.002278 -0.012952 31O 1f-1 0.004942 -0.000064 -0.000168 -0.003993 -0.001276 0.004123 31O 1f+2 0.002534 0.005958 0.000586 0.001584 0.001484 0.005197 31O 1f-2 -0.009223 0.000577 0.010278 0.006492 0.006714 0.001615 31O 1f+3 0.003396 0.002523 -0.000987 0.000102 0.004419 0.005473 31O 1f-3 -0.009816 -0.007929 -0.000056 -0.000808 0.007134 0.000209 32O 1s -0.006377 -0.007260 0.003733 -0.013151 0.002510 0.012022 32O 2s -0.020811 -0.023478 0.011625 -0.041271 0.006272 0.039334 32O 3s 0.111965 0.120379 -0.048504 0.179440 0.017290 -0.215743 32O 4s -0.105036 -0.172266 0.014067 -0.053245 -0.125264 0.197602 32O 5s 0.187017 0.628794 -0.199440 0.576005 -0.411502 -0.282080 32O 1pz -0.005390 -0.004352 -0.014102 0.017170 -0.077384 0.024324 32O 1px 0.004103 -0.127109 0.043125 -0.011167 0.071154 -0.068374 32O 1py -0.033892 -0.106363 0.019976 -0.019499 -0.008281 0.040971 32O 2pz 0.002398 -0.045985 0.026009 0.058577 0.086807 -0.078324 32O 2px -0.051633 0.091712 -0.019770 -0.104946 -0.018817 0.167785 32O 2py 0.098654 0.256175 -0.081544 0.200797 -0.105674 -0.143109 32O 3pz -0.018475 -0.043311 -0.000709 0.100412 -0.086526 -0.018386 32O 3px -0.010966 0.051780 0.064074 -0.045353 0.010754 -0.032278 32O 3py 0.024877 0.029736 -0.069056 0.193433 -0.127361 -0.038772 32O 1dz2 -0.000253 -0.003096 0.000382 -0.005305 0.001084 0.002512 32O 1dxz -0.002013 -0.002663 0.001702 -0.003000 0.003126 0.002868 32O 1dyz 0.000043 0.000790 -0.000234 -0.001442 -0.002299 0.000655 32O 1dx2y2 0.002486 0.004154 -0.000970 0.004643 -0.002339 -0.003425 32O 1dxy 0.001568 0.001470 -0.002330 0.003318 -0.003082 -0.001881 32O 2dz2 0.009942 -0.022376 -0.012247 0.050998 -0.053796 -0.018986 32O 2dxz 0.011226 0.038977 -0.021522 0.030779 -0.027272 -0.002173 32O 2dyz -0.005656 -0.028835 0.008859 0.041055 -0.023650 -0.019229 32O 2dx2y2 0.004371 0.022519 0.006624 -0.014275 -0.001340 -0.002045 32O 2dxy -0.022801 -0.050825 0.017689 -0.059932 0.026635 0.036840 32O 1f0 0.003093 0.004105 -0.004115 0.011517 -0.009368 -0.003372 32O 1f+1 -0.001611 -0.001876 0.002236 -0.005176 0.005265 0.002329 32O 1f-1 0.002448 0.000137 -0.003954 0.015580 -0.010759 -0.007310 32O 1f+2 0.000339 -0.000351 0.000529 -0.003255 0.002058 0.000276 32O 1f-2 0.003192 0.006896 -0.002578 0.009362 -0.003650 -0.004822 32O 1f+3 0.001592 0.002197 -0.000803 0.003139 -0.000217 -0.002640 32O 1f-3 -0.000784 -0.004532 0.000430 -0.002923 0.001647 0.000433 33O 1s 0.000899 -0.000747 -0.001406 -0.002007 -0.002101 -0.001204 33O 2s 0.004073 -0.005350 -0.007721 -0.004214 -0.009441 -0.003137 33O 3s -0.049748 0.091545 0.106142 -0.007663 0.100675 0.003069 33O 4s 0.159057 -0.539705 -0.626366 0.420899 -0.467944 -0.024651 33O 5s -0.149859 0.383182 -0.044704 -0.645959 0.339260 0.246781 33O 1pz -0.105573 0.235154 0.153541 -0.187364 -0.093577 -0.163498 33O 1px -0.087250 0.236003 0.146157 -0.154205 0.035902 -0.134234 33O 1py 0.218958 -0.313407 -0.006518 -0.012115 0.183020 0.368841 33O 2pz 0.178628 -0.496927 -0.375027 0.294244 0.026642 0.292267 33O 2px 0.073903 -0.192697 -0.036076 0.179694 0.051953 0.157172 33O 2py -0.312574 0.450602 -0.028608 -0.036298 -0.306850 -0.561565 33O 3pz -0.090225 0.253837 0.249360 -0.029935 -0.334246 -0.520210 33O 3px -0.154153 0.264904 0.167905 -0.091314 -0.013706 -0.204382 33O 3py 0.196482 -0.360286 0.169877 0.160161 0.173704 0.416085 33O 1dz2 -0.000031 -0.007649 -0.002826 0.003641 0.003478 0.008489 33O 1dxz 0.000530 -0.007469 -0.002572 0.000396 -0.008702 0.006012 33O 1dyz -0.005144 0.006469 0.001008 -0.006594 0.000898 -0.006194 33O 1dx2y2 0.001927 0.002122 0.004339 0.003388 0.011308 0.003584 33O 1dxy 0.003150 -0.004769 0.000373 -0.000494 0.002229 0.004040 33O 2dz2 -0.064192 0.064914 0.023074 -0.045872 0.021636 -0.006375 33O 2dxz 0.013075 -0.033160 0.011421 0.000812 0.001552 0.058760 33O 2dyz -0.013698 0.091009 0.062466 -0.163181 0.134620 0.061073 33O 2dx2y2 0.048706 -0.061643 0.008334 0.048390 0.035204 0.057215 33O 2dxy 0.011173 0.000997 0.042142 -0.021504 0.009530 -0.026010 33O 1f0 -0.001915 0.000318 0.002497 0.005616 0.004454 0.001619 33O 1f+1 -0.001963 -0.001711 -0.000676 0.001045 0.001467 0.004232 33O 1f-1 0.002096 -0.002646 -0.000300 -0.005923 0.002935 0.003482 33O 1f+2 0.004644 -0.007653 -0.002194 0.002754 -0.000907 0.005837 33O 1f-2 -0.005327 0.003201 0.009740 -0.004876 0.004123 -0.001311 33O 1f+3 0.002011 -0.004779 -0.001294 -0.002296 0.001242 0.003961 33O 1f-3 -0.005838 0.000531 -0.008263 0.007204 -0.009861 -0.009498 34O 1s 0.001276 0.002521 -0.005099 -0.004407 -0.007661 0.001892 34O 2s 0.005236 0.008518 -0.019471 -0.016313 -0.028419 0.006249 34O 3s -0.037948 -0.059813 0.166949 0.143937 0.238428 -0.045453 34O 4s 0.269585 0.090881 -0.470178 -0.326915 -0.811949 -0.027655 34O 5s -0.547110 -0.624795 1.484710 0.109261 1.554370 -0.034505 34O 1pz -0.039086 0.254054 0.007716 -0.012649 0.141593 0.223157 34O 1px 0.042824 0.070881 -0.105330 -0.066997 -0.048427 0.064075 34O 1py 0.179814 0.251325 -0.242085 -0.110543 -0.145290 0.120761 34O 2pz -0.002020 -0.418262 0.115809 0.068864 -0.104335 -0.335100 34O 2px -0.085014 -0.162753 0.195086 -0.020745 0.021106 -0.095274 34O 2py -0.238301 -0.320867 0.266783 0.170945 0.179927 -0.151973 34O 3pz 0.057442 0.306864 -0.014491 0.377968 0.167042 0.450035 34O 3px -0.029384 -0.294918 0.118286 0.253566 0.212270 -0.063799 34O 3py 0.033269 0.478182 -0.124277 -0.356516 0.149557 0.388289 34O 1dz2 -0.002769 -0.007514 0.002643 -0.001788 -0.002422 -0.005895 34O 1dxz -0.000571 -0.008096 0.006855 0.001079 0.002389 -0.003653 34O 1dyz 0.003539 0.002292 -0.008946 -0.001216 -0.006236 0.002399 34O 1dx2y2 -0.004894 0.000632 -0.001982 0.003491 0.000434 -0.004560 34O 1dxy -0.003545 -0.002081 -0.003050 0.001049 -0.003200 -0.000714 34O 2dz2 0.008561 -0.005849 -0.005580 -0.002111 -0.055710 -0.032523 34O 2dxz -0.032631 -0.034476 0.209651 0.090899 0.211524 0.079883 34O 2dyz 0.114243 -0.029737 -0.092834 0.027446 -0.206551 -0.079907 34O 2dx2y2 0.009025 0.005413 -0.005577 0.063018 -0.043333 -0.021388 34O 2dxy 0.031458 0.111246 -0.203656 -0.049257 -0.173550 0.071148 34O 1f0 0.014158 -0.002736 -0.010713 -0.006795 -0.019100 -0.009292 34O 1f+1 0.008380 -0.006989 -0.005525 -0.004213 -0.012045 -0.011738 34O 1f-1 0.000966 0.002360 -0.002458 0.001948 -0.000909 0.001560 34O 1f+2 -0.000834 -0.000718 0.003429 0.008633 0.004830 0.004045 34O 1f-2 -0.000075 0.006757 -0.011732 -0.003179 -0.001089 0.005952 34O 1f+3 0.006037 0.002265 0.005502 0.007437 -0.003220 -0.007514 34O 1f-3 -0.001455 -0.002769 -0.008541 -0.011460 -0.012868 -0.010895 35O 1s 0.000682 0.007676 0.003826 -0.002280 0.000921 0.000460 35O 2s 0.002419 0.026789 0.013722 -0.009103 0.003963 0.000879 35O 3s -0.018890 -0.195006 -0.112162 0.096583 -0.053804 -0.004702 35O 4s -0.012638 0.458832 0.223995 -0.202156 0.263026 -0.091320 35O 5s -0.083827 -1.174801 -0.879702 -0.007732 -0.746905 0.460346 35O 1pz -0.005009 -0.055808 -0.134995 0.080252 -0.186252 -0.060315 35O 1px -0.031945 0.112407 0.033376 -0.050544 -0.027429 -0.077111 35O 1py 0.096619 -0.139918 0.044669 -0.013646 0.114432 0.200766 35O 2pz -0.007598 0.034380 0.122799 -0.076617 0.220337 0.094013 35O 2px 0.018476 -0.157312 -0.042332 -0.024768 0.077773 0.151006 35O 2py -0.141654 0.119755 -0.108991 0.042674 -0.171395 -0.254989 35O 3pz 0.055393 -0.005470 -0.181110 0.173029 -0.115690 -0.414048 35O 3px 0.007420 -0.247825 -0.073692 -0.031961 -0.165879 -0.220163 35O 3py 0.269644 -0.516838 -0.132155 0.189332 0.193340 0.354422 35O 1dz2 -0.002247 -0.000552 -0.002654 0.002041 -0.000775 0.006461 35O 1dxz -0.001621 -0.000970 -0.002110 0.001791 -0.000368 0.002727 35O 1dyz -0.002144 -0.001601 -0.003922 0.002531 -0.003088 -0.000025 35O 1dx2y2 0.003114 0.001639 0.003320 -0.003059 0.001592 0.003938 35O 1dxy -0.000070 0.001627 -0.002624 0.000654 -0.003509 0.001035 35O 2dz2 -0.016984 0.021663 0.008976 -0.051799 -0.046160 0.047537 35O 2dxz -0.037464 -0.074031 -0.169020 0.065327 -0.147300 -0.047898 35O 2dyz 0.004921 -0.110780 -0.059042 -0.021974 -0.114061 0.062210 35O 2dx2y2 -0.008189 0.117057 0.056896 -0.078441 0.015198 -0.087065 35O 2dxy 0.019191 -0.129816 -0.078621 0.056036 -0.051977 0.098021 35O 1f0 0.003682 -0.009518 -0.003214 0.001384 0.001870 0.011219 35O 1f+1 0.001093 -0.006267 -0.012188 0.013486 -0.001576 -0.000258 35O 1f-1 -0.000544 -0.000475 -0.003752 0.001216 -0.004907 0.002580 35O 1f+2 0.003156 0.003462 0.003780 -0.006128 0.000971 0.000108 35O 1f-2 -0.002138 0.004262 -0.004217 0.002827 -0.003035 -0.008441 35O 1f+3 0.008560 -0.011616 -0.004850 0.008164 0.005049 0.009047 35O 1f-3 -0.009985 0.012485 0.001511 0.002655 -0.005091 -0.014621 474 475 476 477 478 479 2.80842 2.82247 2.89399 2.91564 2.92619 2.92892 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s -0.000763 -0.000231 0.000399 -0.005492 0.000073 -0.000090 0Rh 2s 0.004921 0.002697 -0.004831 0.046188 -0.000157 0.000428 0Rh 3s -0.001529 0.000271 -0.000573 -0.004480 0.000337 -0.000277 0Rh 4s -0.025837 -0.014057 0.025283 -0.242338 0.000908 -0.002305 0Rh 5s 0.047947 0.030092 -0.055292 0.483871 -0.000977 0.004243 0Rh 6s -0.026990 -0.025652 0.055350 -0.320774 -0.000894 -0.002526 0Rh 7s 0.174715 -0.055994 -0.092448 0.034019 -0.033281 -0.038822 0Rh 8s -0.201601 0.068303 -0.034096 -0.218340 0.050762 -0.011293 0Rh 1pz 0.011655 -0.008025 -0.003374 0.002400 -0.000387 -0.002426 0Rh 1px 0.005596 -0.000318 -0.001735 -0.004100 -0.000761 0.000951 0Rh 1py -0.005164 -0.011290 0.001856 0.000128 0.001548 -0.002346 0Rh 2pz -0.041888 0.029121 0.012653 -0.009136 0.001646 0.008631 0Rh 2px -0.019716 0.001015 0.006317 0.015931 0.002798 -0.003764 0Rh 2py 0.018716 0.040388 -0.006938 -0.000369 -0.005702 0.009112 0Rh 3pz 0.037105 -0.031318 -0.021804 0.018732 -0.007081 -0.005613 0Rh 3px 0.008957 0.001795 -0.007044 -0.037954 -0.003820 0.010403 0Rh 3py -0.019640 -0.031489 0.011839 -0.001730 0.008062 -0.022924 0Rh 4pz 0.151827 -0.084949 -0.004459 -0.011092 0.018832 -0.039578 0Rh 4px 0.108357 -0.015024 -0.018093 0.032586 -0.004411 -0.014025 0Rh 4py -0.057056 -0.165289 0.000755 0.010343 0.006885 0.032486 0Rh 5pz -0.295956 0.181215 0.018350 0.015203 -0.038773 0.077612 0Rh 5px -0.219418 0.029864 0.038495 -0.012095 0.009402 0.015091 0Rh 5py 0.123885 0.325969 0.001285 -0.016565 -0.012279 -0.068381 0Rh 6pz -0.013770 -0.232768 0.278286 0.220668 0.074205 -0.221974 0Rh 6px 0.467247 -0.101250 0.044309 -0.141607 -0.037587 0.111960 0Rh 6py -0.225626 -0.175197 -0.060590 -0.238183 0.074641 0.111198 0Rh 1dz2 0.005719 0.001123 -0.026419 -0.002343 -0.024445 -0.009501 0Rh 1dxz -0.025289 0.011141 -0.014507 0.000352 -0.014480 0.007670 0Rh 1dyz 0.003667 0.008819 -0.005093 0.001054 0.008509 0.005253 0Rh 1dx2y2 -0.006196 -0.013661 -0.017009 0.000992 -0.021694 -0.004106 0Rh 1dxy 0.005577 0.026104 -0.004907 0.005382 -0.005473 -0.008088 0Rh 2dz2 -0.000911 -0.003080 -0.002858 -0.000570 -0.002122 -0.000701 0Rh 2dxz -0.000731 -0.000004 -0.001329 0.000317 -0.002434 0.000541 0Rh 2dyz -0.004139 -0.006201 0.000970 0.000101 0.001764 0.000979 0Rh 2dx2y2 -0.003037 -0.001236 -0.002547 0.000194 -0.002003 -0.000036 0Rh 2dxy -0.002537 -0.000237 -0.000136 0.000489 0.000693 -0.002348 0Rh 3dz2 -0.012792 0.010993 0.093073 0.009736 0.084258 0.032206 0Rh 3dxz 0.078850 -0.033407 0.050101 -0.002191 0.055274 -0.026007 0Rh 3dyz 0.008317 0.002553 0.010763 -0.003683 -0.034171 -0.020502 0Rh 3dx2y2 0.032414 0.046594 0.063283 -0.004357 0.075326 0.012755 0Rh 3dxy -0.005084 -0.076975 0.015481 -0.018845 0.013596 0.035354 0Rh 4dz2 -0.011569 -0.050929 -0.062224 -0.011503 -0.050936 -0.018232 0Rh 4dxz -0.027531 0.008566 -0.031965 0.000616 -0.048242 0.016096 0Rh 4dyz -0.066549 -0.098007 0.016017 0.001399 0.035599 0.019380 0Rh 4dx2y2 -0.051773 -0.028474 -0.051559 0.008788 -0.047216 -0.004030 0Rh 4dxy -0.035791 0.011543 -0.004794 0.013577 0.005753 -0.041336 0Rh 5dz2 0.102085 0.194521 -0.080755 0.025901 -0.115086 -0.047835 0Rh 5dxz -0.129467 0.076351 -0.036850 0.026096 0.001256 0.028618 0Rh 5dyz 0.262395 0.434456 -0.183081 0.021565 -0.027048 -0.021000 0Rh 5dx2y2 0.097123 -0.036462 -0.015084 -0.041973 -0.077340 -0.049885 0Rh 5dxy 0.160932 0.219838 -0.058878 0.012234 -0.083149 0.059377 0Rh 1f0 0.032232 0.053595 -0.020750 0.003482 -0.020379 0.027378 0Rh 1f+1 -0.042997 0.015088 0.016025 -0.001573 -0.000844 0.013610 0Rh 1f-1 -0.044544 0.127045 -0.003432 -0.009794 -0.008071 0.050900 0Rh 1f+2 0.124124 -0.031474 -0.022088 0.021728 -0.024170 -0.014431 0Rh 1f-2 0.032558 0.043461 -0.005866 -0.002279 -0.012594 0.029860 0Rh 1f+3 -0.063950 -0.023053 0.000155 -0.001473 0.014636 -0.005766 0Rh 1f-3 0.030285 0.054581 -0.016039 -0.003650 -0.015136 0.003202 1Rh 1s 0.000708 0.000197 0.000390 -0.005504 -0.000044 0.000105 1Rh 2s -0.003728 -0.002449 -0.004762 0.046291 -0.000050 -0.000602 1Rh 3s 0.001926 -0.000320 -0.000584 -0.004488 -0.000293 0.000258 1Rh 4s 0.019619 0.012762 0.024917 -0.242877 0.000179 0.003215 1Rh 5s -0.033044 -0.027693 -0.054562 0.484968 -0.001102 -0.006205 1Rh 6s 0.006770 0.024788 0.054844 -0.321507 0.001955 0.004331 1Rh 7s -0.105162 0.054592 -0.093419 0.030164 0.034623 0.035381 1Rh 8s 0.188101 -0.072384 -0.032557 -0.216940 -0.050388 0.014656 1Rh 1pz 0.011731 -0.008055 0.003418 -0.002265 -0.000335 -0.002468 1Rh 1px 0.005643 -0.000226 0.001680 0.004061 -0.000802 0.000963 1Rh 1py -0.005341 -0.011397 -0.001678 0.000040 0.001675 -0.002480 1Rh 2pz -0.042139 0.029234 -0.012806 0.008659 0.001453 0.008783 1Rh 2px -0.019998 0.000665 -0.006116 -0.015771 0.002953 -0.003805 1Rh 2py 0.019347 0.040782 0.006311 -0.000251 -0.006178 0.009620 1Rh 3pz 0.036881 -0.031530 0.021795 -0.018541 -0.006829 -0.005800 1Rh 3px 0.011555 0.002468 0.006748 0.037446 -0.004120 0.010346 1Rh 3py -0.020088 -0.032009 -0.011525 0.002634 0.008894 -0.023881 1Rh 4pz 0.154639 -0.084761 0.005604 0.013784 0.019267 -0.039918 1Rh 4px 0.099737 -0.015132 0.017790 -0.031725 -0.004345 -0.013472 1Rh 4py -0.059827 -0.165987 0.002530 -0.009645 0.007017 0.032606 1Rh 5pz -0.301228 0.180437 -0.020478 -0.020475 -0.039949 0.078242 1Rh 5px -0.204290 0.029374 -0.037521 0.011001 0.009539 0.014088 1Rh 5py 0.129294 0.327241 -0.007641 0.015226 -0.012926 -0.068243 1Rh 6pz -0.020337 -0.236123 -0.274592 -0.209315 0.079459 -0.218938 1Rh 6px 0.446806 -0.100828 -0.049701 0.136821 -0.035783 0.108030 1Rh 6py -0.230701 -0.172955 0.069978 0.243002 0.066296 0.136461 1Rh 1dz2 -0.004943 -0.001577 -0.026715 -0.002344 0.024268 0.009733 1Rh 1dxz 0.025896 -0.011313 -0.014164 0.001215 0.014689 -0.007640 1Rh 1dyz -0.003622 -0.009027 -0.005161 0.001113 -0.008837 -0.004751 1Rh 1dx2y2 0.005078 0.013605 -0.017474 0.001005 0.021731 0.004197 1Rh 1dxy -0.005613 -0.026138 -0.004212 0.005592 0.005224 0.008587 1Rh 2dz2 0.000870 0.003053 -0.002870 -0.000572 0.002105 0.000724 1Rh 2dxz 0.000669 -0.000002 -0.001310 0.000396 0.002455 -0.000526 1Rh 2dyz 0.004106 0.006232 0.001017 0.000131 -0.001798 -0.000959 1Rh 2dx2y2 0.003134 0.001228 -0.002587 0.000233 0.002025 0.000024 1Rh 2dxy 0.002591 0.000254 -0.000041 0.000474 -0.000688 0.002362 1Rh 3dz2 0.010679 -0.009513 0.094027 0.009750 -0.083642 -0.033014 1Rh 3dxz -0.080360 0.033952 0.048976 -0.005185 -0.056008 0.025853 1Rh 3dyz -0.008292 -0.002080 0.010752 -0.003993 0.035324 0.018888 1Rh 3dx2y2 -0.029551 -0.046388 0.064880 -0.004569 -0.075538 -0.012974 1Rh 3dxy 0.004937 0.076998 0.012935 -0.019420 -0.012854 -0.036940 1Rh 4dz2 0.011212 0.050240 -0.062636 -0.011553 0.050605 0.018685 1Rh 4dxz 0.026673 -0.008827 -0.031424 0.002582 0.048731 -0.015855 1Rh 4dyz 0.065968 0.098474 0.016705 0.001832 -0.036242 -0.018896 1Rh 4dx2y2 0.052986 0.028330 -0.052532 0.009335 0.047545 0.003898 1Rh 4dxy 0.036676 -0.011293 -0.002758 0.013558 -0.005905 0.041910 1Rh 5dz2 -0.091907 -0.196684 -0.082193 0.026322 0.113141 0.050345 1Rh 5dxz 0.139858 -0.077015 -0.034795 0.028339 -0.000661 -0.028954 1Rh 5dyz -0.259094 -0.439443 -0.185929 0.021060 0.023297 0.028152 1Rh 5dx2y2 -0.114803 0.036502 -0.016843 -0.043714 0.076941 0.051271 1Rh 5dxy -0.164382 -0.221160 -0.058674 0.015218 0.080515 -0.054658 1Rh 1f0 0.034325 0.054041 0.020074 -0.004908 -0.020380 0.027082 1Rh 1f+1 -0.043666 0.015030 -0.016228 0.000796 -0.000974 0.014137 1Rh 1f-1 -0.044062 0.128509 0.002067 0.007308 -0.008306 0.050994 1Rh 1f+2 0.122988 -0.031740 0.022300 -0.020950 -0.024173 -0.014942 1Rh 1f-2 0.033189 0.043823 0.004741 0.001121 -0.013535 0.030927 1Rh 1f+3 -0.066543 -0.022888 0.000549 0.001778 0.014908 -0.005948 1Rh 1f-3 0.029821 0.055018 0.015378 0.003184 -0.015058 0.003173 2C 1s -0.005805 0.002877 -0.002309 -0.002288 0.001379 0.001164 2C 2s -0.022584 0.017794 -0.007544 -0.005232 0.002460 0.005621 2C 3s 0.719164 -1.090575 0.175749 0.087456 0.177842 -0.227991 2C 4s -3.301016 5.476647 -0.926391 -0.326582 -1.038619 1.265237 2C 5s -0.156074 -1.407033 -0.456289 -1.323748 0.084666 -1.030056 2C 1pz 0.240013 -0.374496 0.016488 -0.004024 0.063184 -0.038149 2C 1px 0.070907 -0.048414 -0.014014 -0.027102 -0.000795 -0.006861 2C 1py 0.172381 -0.226589 0.072141 0.028532 0.029552 -0.069974 2C 2pz -2.241439 3.467635 -0.402895 -0.226684 -0.261854 0.527309 2C 2px -0.630236 0.549294 0.016532 0.065144 -0.040015 0.016882 2C 2py -1.556047 2.060759 -0.790120 -0.641945 -0.736456 1.013437 2C 3pz -0.153055 -0.101532 -0.173401 -0.300338 -0.110591 -0.212282 2C 3px -0.097134 -0.060402 -0.059952 0.010835 0.060284 -0.065112 2C 3py -0.018746 -0.043467 -0.039046 -0.283721 0.054136 -0.089737 2C 1dz2 0.022778 -0.002009 0.016490 0.026278 0.040158 0.039016 2C 1dxz 0.027065 -0.066153 0.044239 0.024668 0.002989 -0.063805 2C 1dyz 0.055963 -0.086015 -0.017014 -0.026176 -0.024039 -0.042452 2C 1dx2y2 0.018985 -0.028610 -0.012208 -0.085930 -0.030553 -0.011601 2C 1dxy 0.020830 -0.090519 -0.092394 -0.131455 -0.016400 0.104181 2C 2dz2 -0.479267 0.781009 -0.120296 -0.125227 -0.135551 0.125778 2C 2dxz -0.295965 0.259353 -0.398459 -0.289461 -0.252322 0.449476 2C 2dyz -0.786654 1.047405 -0.212071 -0.213666 -0.172624 0.345262 2C 2dx2y2 0.149436 -0.479430 0.021800 0.056082 -0.011417 0.013495 2C 2dxy -0.156863 0.332134 0.441740 0.425216 0.319479 -0.493605 2C 1f0 0.000149 0.055068 -0.073095 -0.078250 -0.061439 0.102605 2C 1f+1 0.035908 -0.019524 -0.073770 -0.067513 -0.096644 0.064196 2C 1f-1 -0.046748 0.048512 -0.046775 -0.102431 -0.059377 0.038245 2C 1f+2 0.077405 -0.096594 -0.078944 -0.103557 -0.094469 0.060773 2C 1f-2 0.010394 0.005742 -0.018165 -0.045011 0.023155 0.011978 2C 1f+3 0.035286 -0.046272 0.034965 -0.007920 0.102218 -0.019263 2C 1f-3 -0.002962 0.039823 0.005143 0.056052 0.044597 -0.000731 3C 1s -0.004137 -0.003588 0.002960 -0.002111 -0.000100 -0.001331 3C 2s -0.020847 -0.015262 0.010552 -0.004818 0.000448 -0.001709 3C 3s 1.009575 0.640926 -0.335781 0.113229 -0.042775 -0.363915 3C 4s -4.976108 -3.131371 1.720638 -0.502436 0.354595 1.889641 3C 5s 1.264535 -0.204046 0.466941 -1.421866 -0.898283 0.740018 3C 1pz 0.192456 0.134503 -0.099629 0.041198 0.005080 -0.089201 3C 1px 0.094446 0.067639 -0.045862 -0.009748 0.021030 -0.031818 3C 1py -0.344996 -0.226152 0.052473 0.004050 0.016286 0.108612 3C 2pz -1.733800 -1.237132 1.057067 -0.656856 0.242519 0.918580 3C 2px -0.950148 -0.753527 0.624805 -0.227148 0.149457 0.544496 3C 2py 3.307895 2.142043 -0.819692 0.313940 -0.144107 -0.648144 3C 3pz 0.031400 -0.017026 0.120881 -0.316233 -0.119897 0.182231 3C 3px 0.014336 0.008751 -0.002986 -0.133075 -0.196447 0.039109 3C 3py -0.099268 0.167377 -0.222404 0.311090 0.150947 -0.323847 3C 1dz2 -0.078611 -0.027970 -0.077390 0.127270 0.035757 -0.077066 3C 1dxz 0.024640 0.011200 0.024240 0.043913 -0.034120 -0.034809 3C 1dyz -0.058519 -0.021193 -0.044487 0.046504 0.001985 -0.033135 3C 1dx2y2 0.029331 -0.008294 0.080924 -0.105976 0.018750 0.089781 3C 1dxy -0.116839 -0.047692 0.033314 0.028921 -0.040863 -0.030030 3C 2dz2 0.309953 0.145001 0.308793 -0.256152 0.026936 0.227898 3C 2dxz -0.551025 -0.271534 -0.095402 -0.033643 0.007439 -0.064313 3C 2dyz 0.969341 0.587517 -0.077553 0.013579 -0.028611 -0.094059 3C 2dx2y2 0.634004 0.515284 -0.588973 0.408293 -0.159210 -0.457959 3C 2dxy 0.466177 0.367790 -0.478025 0.240065 -0.039485 -0.311946 3C 1f0 -0.001339 0.002240 -0.016020 0.085996 0.037550 0.018514 3C 1f+1 -0.060467 -0.027399 -0.040274 0.078509 -0.039411 -0.079210 3C 1f-1 0.032048 0.032529 0.114820 -0.094224 -0.002024 0.085629 3C 1f+2 0.094865 0.063664 -0.034954 0.034209 -0.032853 -0.095212 3C 1f-2 0.039616 0.052444 0.041349 -0.021793 0.057845 0.069776 3C 1f+3 0.024800 0.001294 0.091767 -0.078110 0.063641 0.052394 3C 1f-3 0.061457 0.012117 -0.058979 0.025798 -0.048173 -0.037875 4C 1s 0.008983 -0.015102 -0.000586 -0.008402 0.001402 -0.002257 4C 2s 0.036677 -0.060083 -0.001184 -0.025139 0.006267 -0.009523 4C 3s -0.950204 1.354585 -0.034701 -0.205411 -0.189639 0.028129 4C 4s 3.915865 -5.487093 0.392209 1.470021 0.843023 -0.162798 4C 5s 0.295165 0.233084 0.119499 1.345986 0.193575 0.728921 4C 1pz 0.112894 -0.252409 0.074108 0.004584 0.061819 -0.118729 4C 1px 0.031793 0.010416 0.029323 0.025346 -0.001077 -0.011262 4C 1py 0.101790 -0.148334 0.027868 0.005044 0.016709 -0.053843 4C 2pz -1.893832 3.199563 -0.713064 0.022269 -0.549704 1.258341 4C 2px -0.515603 0.665238 -0.209650 0.004260 -0.103544 0.178194 4C 2py -1.377001 2.153156 -0.410843 0.048339 -0.327234 0.752790 4C 3pz 0.188895 -0.856441 -0.593310 -0.663240 0.072579 -0.516387 4C 3px 0.098112 0.195097 0.012092 -0.095764 -0.103787 -0.072995 4C 3py -0.234096 -0.484672 -0.366844 -0.146806 -0.032358 -0.300938 4C 1dz2 -0.013727 0.069287 0.238882 0.203138 0.279185 -0.199512 4C 1dxz -0.053722 0.049222 0.064223 0.118286 -0.115128 -0.013051 4C 1dyz -0.004611 -0.049676 -0.236058 -0.307353 -0.267195 0.139882 4C 1dx2y2 0.014143 -0.054921 0.110887 -0.007883 -0.128545 -0.219940 4C 1dxy -0.026453 0.031106 0.097403 0.011946 0.369256 -0.070491 4C 2dz2 0.611072 -0.784664 -0.001740 -0.189581 -0.145602 -0.049240 4C 2dxz 0.219142 -0.656452 0.238122 -0.114444 0.301819 -0.418278 4C 2dyz 0.868499 -1.177384 0.493223 0.558779 0.523297 -0.442210 4C 2dx2y2 -0.181407 0.529392 -0.202249 0.305615 0.113114 0.361393 4C 2dxy 0.135382 -0.565308 -0.369013 -0.066043 -0.478402 0.324207 4C 1f0 0.007357 0.042363 0.031416 -0.083849 -0.109420 -0.018702 4C 1f+1 -0.060490 -0.006719 0.037619 -0.143801 0.066388 -0.042196 4C 1f-1 -0.002070 0.018627 0.013102 -0.029770 0.065390 0.002050 4C 1f+2 0.072795 -0.009729 -0.014415 0.089711 0.020538 0.066792 4C 1f-2 0.083222 -0.082945 -0.055193 -0.090978 -0.079242 0.000297 4C 1f+3 -0.025802 0.019895 0.058456 0.012540 -0.102866 -0.021347 4C 1f-3 -0.010325 0.069187 -0.069550 -0.146923 -0.050738 -0.021394 5C 1s 0.014531 0.006837 -0.000326 -0.009131 -0.001110 -0.001272 5C 2s 0.057222 0.028959 -0.003064 -0.027405 -0.003953 -0.007487 5C 3s -1.301410 -0.792997 0.212249 -0.200605 -0.116745 0.632570 5C 4s 5.321340 3.362715 -1.140621 1.518007 0.504490 -2.827828 5C 5s -0.132611 0.286177 -0.137691 1.399589 0.792551 -1.294190 5C 1pz 0.137421 0.111178 -0.042015 0.003072 -0.029146 -0.013199 5C 1px 0.046542 0.011092 -0.030844 0.027059 -0.018061 0.002080 5C 1py -0.218652 -0.132593 0.114247 -0.021606 0.055878 0.050694 5C 2pz -1.714249 -1.179586 0.642488 -0.006456 0.341647 0.254902 5C 2px -1.178728 -0.748075 0.362191 -0.065096 0.215316 0.109504 5C 2py 2.932130 1.899592 -1.216348 0.082544 -0.573613 -0.498347 5C 3pz 0.567354 -0.168726 0.307485 -0.233867 -0.264827 0.184207 5C 3px -0.061773 -0.177801 0.294083 -0.022970 -0.005424 0.197683 5C 3py -0.787444 -0.223019 -0.636092 0.824930 0.450843 -0.361414 5C 1dz2 0.068733 0.008909 0.292269 -0.093932 0.244669 0.216892 5C 1dxz -0.084595 -0.000518 0.034112 0.043227 -0.210838 -0.245074 5C 1dyz -0.060143 0.020673 -0.231626 0.285849 0.028192 -0.179822 5C 1dx2y2 0.074100 0.041392 0.168639 -0.156751 -0.051834 0.205626 5C 1dxy -0.005136 0.016949 -0.094800 0.047781 -0.235279 -0.204358 5C 2dz2 -0.451156 -0.226726 -0.376090 -0.018913 -0.327927 -0.066292 5C 2dxz 0.745831 0.351357 -0.056306 -0.232555 0.063841 0.373291 5C 2dyz -0.898193 -0.658203 0.464331 -0.524412 -0.056265 0.564110 5C 2dx2y2 -0.674245 -0.532209 0.376323 0.129118 0.233922 -0.049900 5C 2dxy -0.811528 -0.551557 0.530276 -0.137542 0.379546 0.522803 5C 1f0 0.025341 0.004841 0.044654 -0.045046 -0.109349 -0.011595 5C 1f+1 -0.053100 -0.012174 0.091852 -0.110007 0.042959 0.151516 5C 1f-1 0.045476 0.074800 0.030065 -0.065360 0.057316 0.069412 5C 1f+2 0.014685 -0.045797 -0.044826 0.034095 0.039478 0.055317 5C 1f-2 -0.031245 0.020067 -0.014634 0.131734 -0.003028 -0.094443 5C 1f+3 0.016482 -0.009348 0.021223 -0.139142 -0.111406 0.023678 5C 1f-3 0.084777 0.077527 0.048889 0.122309 0.022629 -0.116768 6C 1s -0.014269 -0.006919 -0.000182 -0.009157 0.001243 0.001188 6C 2s -0.055785 -0.029239 -0.002420 -0.027560 0.004359 0.007225 6C 3s 1.247622 0.796140 0.193354 -0.181164 0.117398 -0.631700 6C 4s -5.086912 -3.373921 -1.059328 1.434264 -0.522326 2.837994 6C 5s 0.202806 -0.268345 -0.125431 1.359598 -0.808780 1.296786 6C 1pz 0.131574 0.111993 0.039458 -0.003147 -0.028338 -0.014434 6C 1px 0.043402 0.010763 0.029312 -0.027764 -0.017202 0.000894 6C 1py -0.210348 -0.134223 -0.110305 0.020853 0.054028 0.053472 6C 2pz -1.626801 -1.190274 -0.612874 0.003493 0.332885 0.269805 6C 2px -1.118702 -0.747762 -0.342223 0.071681 0.210445 0.119538 6C 2py 2.789164 1.916983 1.166702 -0.076400 -0.556957 -0.525226 6C 3pz 0.641030 -0.174489 -0.308139 0.222553 -0.268844 0.190883 6C 3px -0.043277 -0.182010 -0.295853 0.016131 -0.006174 0.193421 6C 3py -0.777753 -0.220711 0.638847 -0.797837 0.469774 -0.388762 6C 1dz2 -0.064419 -0.007261 0.290962 -0.095575 -0.241473 -0.230723 6C 1dxz 0.085595 0.000051 0.033101 0.042131 0.213072 0.244632 6C 1dyz 0.059828 -0.020769 -0.228817 0.281836 -0.034298 0.189031 6C 1dx2y2 -0.067677 -0.040979 0.167434 -0.149980 0.055532 -0.212551 6C 1dxy 0.009270 -0.019197 -0.094101 0.047098 0.234383 0.208960 6C 2dz2 0.430555 0.223365 -0.378584 -0.008378 0.324097 0.087840 6C 2dxz -0.732434 -0.351455 -0.046944 -0.231398 -0.066615 -0.377098 6C 2dyz 0.846881 0.660241 0.444631 -0.511200 0.065820 -0.576390 6C 2dx2y2 0.621991 0.539202 0.360252 0.121781 -0.230013 0.042998 6C 2dxy 0.772687 0.561719 0.521154 -0.129857 -0.372686 -0.541282 6C 1f0 0.022922 0.004836 -0.043424 0.043522 -0.110286 -0.011577 6C 1f+1 -0.058516 -0.012196 -0.090471 0.107068 0.041629 0.153645 6C 1f-1 0.032580 0.075103 -0.029813 0.064652 0.056102 0.072683 6C 1f+2 0.023611 -0.045929 0.045832 -0.034363 0.040307 0.054055 6C 1f-2 -0.038277 0.019515 0.013830 -0.129916 -0.002225 -0.094670 6C 1f+3 0.019364 -0.009075 -0.021128 0.135699 -0.113186 0.023435 6C 1f-3 0.074068 0.076875 -0.050125 -0.117773 0.023125 -0.116049 7C 1s -0.008704 0.015084 -0.000821 -0.008648 -0.001401 0.002378 7C 2s -0.035205 0.060072 -0.002185 -0.026209 -0.006250 0.009885 7C 3s 0.896478 -1.356195 -0.007705 -0.181527 0.189313 -0.027351 7C 4s -3.682182 5.496478 0.275965 1.367942 -0.835152 0.144008 7C 5s -0.226707 -0.229469 0.125909 1.354328 -0.186439 -0.754913 7C 1pz 0.105102 -0.254390 -0.067490 0.004571 0.060071 -0.116833 7C 1px 0.031100 0.010143 -0.028625 -0.024768 -0.001989 -0.010218 7C 1py 0.096036 -0.150235 -0.023899 -0.000278 0.015400 -0.052507 7C 2pz -1.756328 3.220221 0.637007 -0.119689 -0.527003 1.226428 7C 2px -0.494742 0.667298 0.196457 -0.019584 -0.093043 0.170657 7C 2py -1.290315 2.179536 0.363361 -0.109304 -0.311941 0.735019 7C 3pz 0.165716 -0.829888 0.604830 0.681601 0.080992 -0.545059 7C 3px 0.067766 0.196653 -0.011571 0.094762 -0.096672 -0.067995 7C 3py -0.172040 -0.480000 0.379960 0.162917 -0.018444 -0.330183 7C 1dz2 0.007537 -0.065249 0.242067 0.194346 -0.287231 0.214864 7C 1dxz 0.045538 -0.049384 0.064168 0.117566 0.115442 0.013811 7C 1dyz 0.003531 0.044626 -0.233999 -0.298970 0.268951 -0.142548 7C 1dx2y2 -0.018479 0.055192 0.111049 -0.013401 0.127357 0.223054 7C 1dxy 0.027919 -0.028006 0.100992 0.009936 -0.373083 0.079892 7C 2dz2 -0.559382 0.784720 -0.028170 -0.207196 0.165660 0.020238 7C 2dxz -0.190426 0.659995 0.228806 -0.137402 -0.301887 0.417383 7C 2dyz -0.811460 1.197146 0.466584 0.520377 -0.523506 0.442340 7C 2dx2y2 0.180022 -0.539382 -0.186279 0.324862 -0.123992 -0.346977 7C 2dxy -0.130055 0.550273 -0.381335 -0.062149 0.485815 -0.345471 7C 1f0 0.003218 0.042795 -0.032233 0.082586 -0.111513 -0.017083 7C 1f+1 -0.051208 -0.006174 -0.039066 0.143115 0.067757 -0.044836 7C 1f-1 -0.001708 0.018499 -0.011398 0.030920 0.064445 0.001892 7C 1f+2 0.060438 -0.008150 0.014955 -0.091658 0.019983 0.069025 7C 1f-2 0.072414 -0.080651 0.055816 0.092319 -0.079416 0.002325 7C 1f+3 -0.015355 0.017545 -0.058997 -0.012648 -0.101838 -0.021945 7C 1f-3 -0.015845 0.070934 0.067446 0.145350 -0.052355 -0.020791 8C 1s 0.003615 0.003609 0.002910 -0.002204 0.000192 0.001225 8C 2s 0.019079 0.015361 0.010270 -0.005041 -0.000181 0.001382 8C 3s -0.965154 -0.645421 -0.318041 0.103648 0.038772 0.369606 8C 4s 4.776620 3.156090 1.630691 -0.451062 -0.334949 -1.919279 8C 5s -1.391692 0.192637 0.474599 -1.387867 0.917662 -0.754975 8C 1pz 0.181874 0.135333 0.096416 -0.038470 0.006702 -0.090638 8C 1px 0.088197 0.068345 0.043371 0.011148 0.020778 -0.032028 8C 1py -0.328182 -0.226934 -0.047335 -0.006498 0.016364 0.109117 8C 2pz -1.623013 -1.246443 -1.023916 0.637149 0.224434 0.951813 8C 2px -0.878632 -0.765516 -0.600780 0.215373 0.140145 0.556059 8C 2py 3.145984 2.151153 0.771770 -0.298650 -0.132122 -0.658704 8C 3pz 0.029913 -0.015398 -0.118760 0.307245 -0.127346 0.187277 8C 3px 0.020819 0.010726 0.003767 0.127229 -0.199016 0.044191 8C 3py -0.135379 0.168148 0.220326 -0.299749 0.154200 -0.326950 8C 1dz2 0.078181 0.028026 -0.075955 0.124601 -0.039185 0.079918 8C 1dxz -0.024901 -0.010478 0.026237 0.041705 0.033680 0.032822 8C 1dyz 0.056908 0.021333 -0.043430 0.045889 -0.002930 0.034782 8C 1dx2y2 -0.033723 0.008243 0.079104 -0.104587 -0.016637 -0.092704 8C 1dxy 0.113435 0.048085 0.033997 0.028992 0.040418 0.028739 8C 2dz2 -0.299216 -0.142351 0.307548 -0.251545 -0.019158 -0.240904 8C 2dxz 0.539427 0.267371 -0.109364 -0.027749 -0.006068 0.076500 8C 2dyz -0.923338 -0.590338 -0.070299 0.011170 0.028581 0.092279 8C 2dx2y2 -0.589606 -0.520034 -0.570912 0.398871 0.146899 0.475300 8C 2dxy -0.427257 -0.373625 -0.470059 0.236972 0.032631 0.330786 8C 1f0 -0.003617 0.001608 0.015438 -0.085426 0.039148 0.018310 8C 1f+1 -0.058416 -0.026602 0.039651 -0.076817 -0.038417 -0.082734 8C 1f-1 0.024363 0.033094 -0.113766 0.092508 -0.003815 0.091839 8C 1f+2 0.089351 0.064061 0.033576 -0.032159 -0.032030 -0.095948 8C 1f-2 0.034120 0.052691 -0.042370 0.021479 0.057185 0.072373 8C 1f+3 0.023153 0.001224 -0.091328 0.079315 0.062564 0.056491 8C 1f-3 0.063580 0.013294 0.057947 -0.024950 -0.046127 -0.041947 9C 1s 0.005335 -0.002891 -0.002270 -0.002380 -0.001460 -0.000895 9C 2s 0.020970 -0.017860 -0.007212 -0.005247 -0.002726 -0.004845 9C 3s -0.677899 1.096552 0.149556 0.059438 -0.172888 0.221048 9C 4s 3.116406 -5.511872 -0.791036 -0.170588 1.013560 -1.239175 9C 5s 0.050002 1.385155 -0.498453 -1.372579 -0.099048 1.082119 9C 1pz 0.223993 -0.375073 -0.008645 0.011400 0.061697 -0.035789 9C 1px 0.066798 -0.048582 0.015905 0.028635 -0.000113 -0.006633 9C 1py 0.162202 -0.229925 -0.067050 -0.021036 0.028962 -0.070160 9C 2pz -2.086111 3.476553 0.327620 0.157564 -0.236089 0.480920 9C 2px -0.586062 0.556897 -0.037803 -0.079988 -0.028356 0.006607 9C 2py -1.446380 2.097214 0.743299 0.564462 -0.731302 1.009459 9C 3pz -0.120997 -0.094997 0.175872 0.302934 -0.104765 -0.224089 9C 3px -0.088174 -0.061695 0.062602 -0.008286 0.055684 -0.070300 9C 3py -0.024629 -0.039587 0.040188 0.284078 0.055929 -0.096213 9C 1dz2 -0.017880 0.002640 0.015039 0.027296 -0.038850 -0.041012 9C 1dxz -0.025516 0.064793 0.044624 0.022116 -0.004687 0.064700 9C 1dyz -0.053679 0.086018 -0.015622 -0.027552 0.022295 0.045945 9C 1dx2y2 -0.018533 0.026638 -0.008336 -0.082335 0.025984 0.017545 9C 1dxy -0.021799 0.089863 -0.092757 -0.128442 0.015897 -0.105161 9C 2dz2 0.436013 -0.779858 -0.099218 -0.106093 0.125530 -0.108673 9C 2dxz 0.271387 -0.265217 -0.392144 -0.265331 0.254513 -0.453296 9C 2dyz 0.732770 -1.059799 -0.198475 -0.191329 0.175461 -0.349523 9C 2dx2y2 -0.145761 0.485080 -0.002912 0.037611 0.031739 -0.045021 9C 2dxy 0.155563 -0.318940 0.447462 0.407155 -0.326616 0.511004 9C 1f0 -0.005666 0.056145 0.071734 0.071620 -0.062914 0.106397 9C 1f+1 0.032348 -0.016846 0.073313 0.064529 -0.099298 0.066245 9C 1f-1 -0.042192 0.049388 0.046526 0.101304 -0.059803 0.038475 9C 1f+2 0.068189 -0.096451 0.080942 0.101624 -0.097422 0.066049 9C 1f-2 0.010881 0.004882 0.018502 0.045174 0.021048 0.012548 9C 1f+3 0.034815 -0.047465 -0.035328 0.010173 0.103509 -0.023837 9C 1f-3 -0.002083 0.037162 -0.005619 -0.054663 0.047395 -0.002785 10H 1s -0.044523 0.137986 -0.041835 -0.024133 -0.052552 0.019969 10H 2s 0.096369 -0.128635 -0.114989 -0.182246 0.108613 0.095598 10H 3s 0.019803 0.185009 0.004672 0.075765 -0.102057 0.078552 10H 1pz 0.171188 -0.159274 0.050722 -0.030619 0.060357 -0.079999 10H 1px 0.082648 -0.014353 0.048764 0.025239 -0.041966 -0.058575 10H 1py 0.096189 -0.144419 -0.143440 -0.143978 -0.019756 0.116485 11H 1s -0.059706 0.097653 0.137746 0.109769 0.019532 -0.103893 11H 2s 0.006527 -0.016387 0.382533 0.357016 0.541728 -0.545691 11H 3s -0.024363 0.126149 -0.090673 0.047168 -0.165372 0.120779 11H 1pz 0.073405 -0.120604 0.187676 0.145433 0.214862 -0.249641 11H 1px -0.010369 -0.088954 0.046896 0.034872 0.146191 -0.072349 11H 1py 0.103334 -0.158767 0.062680 0.063133 0.020455 -0.047002 12H 1s -0.095113 0.033126 -0.103977 -0.061878 -0.014324 0.121884 12H 2s -0.029324 -0.299685 -0.383038 -0.452177 -0.391448 0.515352 12H 3s -0.009989 0.219435 0.085096 0.150797 0.136548 0.017233 12H 1pz 0.141058 -0.205635 -0.052802 -0.068238 -0.040645 0.049066 12H 1px 0.020005 -0.106661 0.014018 -0.016768 -0.027186 0.014147 12H 1py 0.011512 -0.168672 -0.163737 -0.208489 -0.157003 0.178598 13H 1s -0.124824 -0.099260 0.050507 -0.037841 0.033742 0.076524 13H 2s 0.046775 0.069881 0.075691 -0.251096 0.002634 -0.179779 13H 3s -0.122967 -0.020302 0.061300 0.080514 0.124261 0.079191 13H 1pz 0.119846 0.046227 0.133878 -0.132091 -0.023716 -0.020735 13H 1px 0.102512 0.054863 0.062078 -0.037679 0.003722 0.088501 13H 1py -0.143135 -0.105603 0.076974 0.057630 0.002813 0.084319 14H 1s -0.017277 -0.044551 0.122123 -0.034985 -0.041308 0.058910 14H 2s 0.293398 0.054127 0.478835 -0.367785 0.222172 0.294591 14H 3s -0.231495 0.030846 -0.083073 0.131522 -0.070007 -0.096115 14H 1pz 0.102953 0.023853 0.172436 -0.154440 0.066851 0.114655 14H 1px 0.127274 0.037315 0.084381 -0.081796 0.074085 0.045686 14H 1py -0.210776 -0.159742 -0.030920 0.039771 -0.000270 -0.035381 15H 1s -0.100970 -0.049687 -0.145179 0.098175 0.008433 -0.041000 15H 2s -0.111704 0.054439 -0.446562 0.341047 -0.124338 -0.654741 15H 3s -0.100528 0.007537 0.088737 0.042900 0.093928 0.143101 15H 1pz 0.121183 0.082578 -0.078057 0.045901 0.008538 0.023329 15H 1px 0.139324 0.077260 -0.058624 0.047628 -0.060672 -0.105579 15H 1py -0.073757 -0.072875 0.242229 -0.128189 0.060640 0.275085 16H 1s -0.010490 0.021159 -0.007266 0.011815 0.007115 0.011403 16H 2s 0.153595 -0.174958 0.055828 -0.312610 -0.068661 0.001140 16H 3s 0.026656 0.037293 0.014782 0.057636 -0.006675 -0.007489 16H 1pz 0.075026 -0.077862 0.029537 -0.138145 -0.025424 0.004859 16H 1px -0.024949 0.043946 -0.000340 -0.020830 0.004550 0.014821 16H 1py 0.002202 -0.019417 -0.002869 -0.016669 -0.011013 0.008209 17H 1s 0.022048 0.004535 -0.004795 0.009513 -0.006803 0.003312 17H 2s 0.057460 -0.076303 0.123620 -0.293999 -0.065953 -0.012060 17H 3s 0.014367 -0.049562 0.019850 0.033128 -0.023887 -0.007789 17H 1pz -0.030434 0.011699 -0.041758 0.103052 0.024264 -0.004980 17H 1px -0.025769 0.044417 -0.034448 0.068403 0.022724 0.006495 17H 1py 0.012876 -0.000948 0.019404 -0.037579 -0.024410 0.002900 18H 1s -0.020428 -0.004545 -0.004543 0.009768 0.006856 -0.003421 18H 2s -0.084291 0.077184 0.124352 -0.295449 0.067929 0.015905 18H 3s -0.013911 0.050435 0.021106 0.033415 0.026488 0.007924 18H 1pz -0.040106 0.013289 0.043400 -0.103889 0.025643 -0.003290 18H 1px -0.034552 0.044531 0.034281 -0.068990 0.024002 0.007094 18H 1py 0.017054 0.000827 -0.018427 0.034550 -0.024273 0.002343 19H 1s 0.011629 -0.022127 -0.007027 0.012447 -0.006947 -0.012141 19H 2s -0.183978 0.178377 0.052031 -0.313254 0.068584 0.001143 19H 3s -0.027425 -0.035681 0.012007 0.056074 0.003848 0.005751 19H 1pz 0.088386 -0.079036 -0.027490 0.138163 -0.024718 0.004595 19H 1px -0.026604 0.044942 -0.001272 0.018571 0.004233 0.014164 19H 1py 0.008760 -0.019870 0.003441 0.019341 -0.011554 0.008790 20H 1s 0.095247 0.048723 -0.145279 0.097444 -0.012177 0.046402 20H 2s 0.125471 -0.057025 -0.435883 0.326181 0.117136 0.675136 20H 3s 0.107904 -0.004562 0.085318 0.045950 -0.095107 -0.145993 20H 1pz 0.114095 0.083136 0.076958 -0.047019 0.010276 0.021486 20H 1px 0.135630 0.076932 0.056625 -0.046300 -0.059525 -0.109013 20H 1py -0.068925 -0.074516 -0.236567 0.122145 0.057439 0.284788 21H 1s 0.010737 0.045878 0.120805 -0.033367 0.042766 -0.062740 21H 2s -0.311285 -0.047111 0.478910 -0.367458 -0.210651 -0.318297 21H 3s 0.253492 -0.031136 -0.085206 0.131826 0.069009 0.097912 21H 1pz 0.106198 0.022162 -0.172558 0.154314 0.062434 0.123154 21H 1px 0.133514 0.036268 -0.084985 0.082955 0.071545 0.050826 21H 1py -0.196367 -0.159595 0.033475 -0.038739 0.000579 -0.038634 22H 1s 0.118971 0.099230 0.048478 -0.036422 -0.032023 -0.077674 22H 2s -0.049845 -0.074779 0.076117 -0.256129 0.002658 0.172704 22H 3s 0.139202 0.024175 0.058626 0.081897 -0.124077 -0.078705 22H 1pz 0.120333 0.046974 -0.135040 0.133241 -0.027265 -0.013707 22H 1px 0.092990 0.053776 -0.061153 0.034370 0.003027 0.089683 22H 1py -0.132836 -0.107761 -0.075140 -0.059269 0.002825 0.085812 23H 1s 0.087791 -0.035962 -0.103973 -0.056510 0.017038 -0.126995 23H 2s 0.011054 0.288394 -0.391738 -0.438422 0.399496 -0.531318 23H 3s 0.034149 -0.214397 0.092232 0.154125 -0.136216 -0.017890 23H 1pz 0.126330 -0.204460 0.057046 0.067365 -0.043812 0.055461 23H 1px 0.022872 -0.106231 -0.012445 0.017455 -0.027932 0.013650 23H 1py 0.017086 -0.166117 0.168327 0.205848 -0.159721 0.183972 24H 1s 0.053861 -0.095532 0.139238 0.106825 -0.020081 0.107576 24H 2s 0.001656 0.023500 0.379273 0.322037 -0.552603 0.567951 24H 3s 0.031179 -0.126467 -0.085530 0.058034 0.168804 -0.126761 24H 1pz 0.069086 -0.124156 -0.183528 -0.129473 0.219410 -0.258744 24H 1px -0.007558 -0.087996 -0.045025 -0.027687 0.148233 -0.077360 24H 1py 0.097155 -0.160999 -0.060900 -0.061278 0.020769 -0.045974 25H 1s 0.040833 -0.138464 -0.038874 -0.020369 0.049891 -0.018553 25H 2s -0.092818 0.133651 -0.119673 -0.186828 -0.112031 -0.080161 25H 3s -0.007794 -0.187425 0.012800 0.085134 0.099698 -0.084988 25H 1pz 0.161105 -0.161730 -0.048106 0.037031 0.062460 -0.087320 25H 1px 0.074409 -0.012636 -0.052513 -0.027902 -0.041236 -0.056758 25H 1py 0.092317 -0.143236 0.145910 0.141147 -0.022170 0.118516 26O 1s 0.000078 0.007230 -0.001344 -0.004991 -0.001594 0.007005 26O 2s 0.001676 0.024607 -0.003810 -0.016479 -0.004774 0.022980 26O 3s -0.021568 -0.180947 0.007320 0.160668 0.026805 -0.117534 26O 4s 0.189451 0.323157 0.098697 -0.450771 -0.006128 -0.074913 26O 5s -0.457811 -0.309138 0.507038 -0.470745 0.057383 -0.419355 26O 1pz -0.035239 0.091159 0.101408 0.107563 0.016765 -0.061373 26O 1px -0.038228 -0.103390 0.086680 -0.059427 0.034245 -0.113302 26O 1py 0.135517 -0.082132 -0.206522 -0.109853 -0.064277 0.051716 26O 2pz 0.067845 -0.148689 -0.215158 -0.170599 -0.088111 0.137642 26O 2px 0.083346 0.056309 -0.249001 0.311433 -0.100830 0.336219 26O 2py -0.183906 0.097888 0.247317 0.293810 0.176963 -0.007874 26O 3pz -0.375075 0.231660 0.256630 0.210763 -0.056598 0.110446 26O 3px -0.166293 -0.084797 0.019860 0.155056 0.017663 0.089229 26O 3py 0.103297 0.111800 0.070088 0.079653 0.147614 0.010534 26O 1dz2 -0.005712 0.007601 0.002698 0.006061 -0.000934 0.002883 26O 1dxz -0.003220 0.003420 0.002470 0.001934 -0.000108 -0.001611 26O 1dyz -0.005219 0.004402 0.001625 -0.006342 -0.000246 0.001485 26O 1dx2y2 -0.003136 -0.006075 0.000302 -0.002784 -0.000575 -0.006257 26O 1dxy -0.004921 -0.005983 -0.004040 -0.006023 -0.002258 -0.000654 26O 2dz2 -0.090255 0.087272 0.021391 0.072006 0.000285 0.007151 26O 2dxz 0.044072 -0.093654 0.052127 0.038773 0.057282 -0.041432 26O 2dyz -0.116741 0.001322 0.020646 -0.060417 0.000272 0.037055 26O 2dx2y2 0.038334 0.026180 0.026929 -0.005272 0.057231 -0.123301 26O 2dxy -0.060016 -0.105080 -0.023875 -0.091932 -0.053672 0.031151 26O 1f0 0.004988 -0.003062 -0.003445 -0.010133 0.010089 0.000215 26O 1f+1 -0.008193 0.015493 -0.005759 -0.007605 -0.009351 0.000166 26O 1f-1 0.010084 -0.006543 -0.000292 -0.000915 -0.013926 -0.007061 26O 1f+2 0.004480 -0.002267 0.003217 0.001564 -0.017076 0.000377 26O 1f-2 -0.004732 0.006454 -0.001904 0.007165 -0.008171 0.009505 26O 1f+3 0.002667 0.003535 -0.009514 -0.008821 0.037328 0.018054 26O 1f-3 -0.009234 0.004157 0.012083 -0.006788 -0.010669 -0.013264 27O 1s -0.005571 -0.000918 0.005370 -0.006848 0.003585 -0.000344 27O 2s -0.018913 -0.003135 0.016346 -0.022969 0.012079 -0.002555 27O 3s 0.139877 0.034258 -0.085735 0.203785 -0.059664 -0.016054 27O 4s -0.243290 -0.084372 -0.033746 -0.498513 -0.031960 0.221557 27O 5s 0.120123 0.157855 -0.350729 -0.279460 -0.557179 0.636231 27O 1pz 0.046404 0.122873 0.176866 -0.038219 0.036900 0.049057 27O 1px 0.128729 0.075164 0.049222 -0.089136 -0.066574 0.106558 27O 1py 0.111426 0.123109 0.159684 -0.076555 -0.001695 -0.006431 27O 2pz -0.093167 -0.187193 -0.261583 0.047930 -0.121841 -0.124954 27O 2px -0.090087 -0.052003 0.009870 0.347217 0.219407 -0.388462 27O 2py -0.198263 -0.187318 -0.300082 0.109879 -0.074327 0.001154 27O 3pz -0.191333 0.201218 -0.002749 0.057842 -0.053353 -0.112460 27O 3px 0.042709 0.049031 0.099812 0.209962 0.112232 -0.307138 27O 3py 0.311024 0.210810 0.164961 -0.346807 -0.140406 0.037898 27O 1dz2 -0.001730 -0.001127 -0.001116 0.002281 0.000607 -0.007073 27O 1dxz 0.000560 -0.000342 0.003326 0.000291 -0.000872 0.000491 27O 1dyz 0.003485 0.000200 -0.002657 0.004377 0.001047 -0.004527 27O 1dx2y2 0.009385 0.006554 0.003326 -0.007889 -0.005422 0.009680 27O 1dxy 0.003124 0.000889 0.000168 0.003821 0.002306 -0.004964 27O 2dz2 0.005059 -0.008986 0.007898 0.025320 0.005017 -0.033558 27O 2dxz 0.107757 0.006639 0.044759 -0.006101 0.037352 0.046259 27O 2dyz 0.045920 0.026580 -0.042853 0.048015 0.009340 -0.081405 27O 2dx2y2 0.078174 0.023062 0.012624 -0.097590 -0.040031 0.076726 27O 2dxy -0.085603 -0.092248 0.031612 0.017158 0.022334 0.059545 27O 1f0 -0.005317 -0.006786 -0.008496 0.004406 0.017930 0.018281 27O 1f+1 -0.001725 -0.003816 -0.010949 -0.006022 -0.004655 0.008871 27O 1f-1 -0.003816 -0.001044 0.003329 0.001603 0.007681 0.004348 27O 1f+2 -0.012414 -0.001322 0.011241 -0.003668 -0.021074 -0.017336 27O 1f-2 0.006427 0.004027 -0.007146 -0.000838 0.012060 0.006128 27O 1f+3 -0.010669 -0.009149 0.002126 -0.003612 0.019674 0.020686 27O 1f-3 -0.000069 -0.002683 -0.005734 0.014955 0.025674 -0.006924 28O 1s 0.004724 -0.005247 -0.002284 -0.008653 0.001108 0.003033 28O 2s 0.016065 -0.021778 -0.006810 -0.030130 0.004692 0.009190 28O 3s -0.097467 0.224655 0.030461 0.271532 -0.045788 -0.011580 28O 4s 0.206640 -1.025980 0.025868 -0.746775 0.168425 -0.327393 28O 5s -0.549515 1.445773 0.473887 -0.084247 -0.224962 -0.340935 28O 1pz -0.023359 -0.191227 -0.053445 -0.087421 -0.054311 0.010567 28O 1px -0.036688 -0.133793 -0.019548 0.024653 -0.002342 0.098975 28O 1py 0.228183 -0.023202 0.061489 0.047237 0.083003 -0.130927 28O 2pz 0.106759 0.364924 0.059897 0.332862 0.134385 0.093741 28O 2px -0.006478 0.055299 0.110456 -0.243322 0.069055 -0.346631 28O 2py -0.307693 -0.019117 -0.220640 -0.136366 -0.272367 0.304564 28O 3pz -0.010582 -0.106203 0.047594 0.099389 0.057713 0.128382 28O 3px -0.271332 0.251260 0.120180 0.013460 0.002478 -0.077034 28O 3py 0.274981 0.103302 -0.007795 -0.115683 -0.076926 -0.033907 28O 1dz2 -0.002875 0.002426 -0.002901 -0.001877 -0.001014 0.005033 28O 1dxz -0.005157 -0.000720 0.001508 0.007040 0.004226 0.004816 28O 1dyz -0.000587 0.010818 0.002816 -0.001235 -0.001893 -0.001586 28O 1dx2y2 0.002312 -0.000144 -0.001502 -0.000053 0.001272 -0.004117 28O 1dxy -0.003080 0.001789 -0.002447 -0.002303 -0.002295 0.004442 28O 2dz2 0.012851 0.127860 -0.050364 -0.010128 -0.033556 0.097272 28O 2dxz -0.017068 -0.007984 -0.014592 0.049698 0.033135 0.029653 28O 2dyz -0.065096 0.274580 0.092456 0.055158 0.016175 -0.017910 28O 2dx2y2 -0.037234 -0.037255 -0.024681 -0.034158 0.021978 -0.041633 28O 2dxy -0.000045 0.011858 -0.088085 -0.108793 -0.091002 0.054580 28O 1f0 -0.006040 0.002928 -0.002152 0.002342 0.027229 0.000247 28O 1f+1 0.000559 -0.005244 -0.014044 -0.024638 -0.037499 -0.001125 28O 1f-1 0.006675 -0.008994 -0.005829 0.002079 -0.009150 0.004334 28O 1f+2 0.002936 0.006971 0.003674 0.014070 0.003786 0.001752 28O 1f-2 0.000662 -0.009050 0.025877 0.013462 0.046430 -0.022414 28O 1f+3 0.001848 -0.002917 -0.013318 -0.000275 -0.001048 0.010051 28O 1f-3 -0.009638 0.016195 0.023541 0.017923 0.032288 -0.015530 29O 1s 0.001696 -0.000893 0.001007 -0.021624 -0.000194 0.002429 29O 2s 0.005126 -0.002214 0.002670 -0.072373 -0.000032 0.008320 29O 3s -0.016920 -0.008593 0.000984 0.441037 -0.014243 -0.057050 29O 4s 0.039495 0.047952 -0.042682 -0.570319 0.039866 0.097368 29O 5s -0.372476 0.191601 -0.089115 0.795031 0.116097 -0.105630 29O 1pz 0.043332 0.002386 -0.008297 0.057140 -0.004234 -0.006134 29O 1px -0.068078 0.081194 -0.015659 -0.130568 0.021225 0.025802 29O 1py -0.040910 0.025446 0.007834 0.066182 -0.015087 0.001406 29O 2pz -0.031799 -0.057978 0.009393 -0.143829 0.005073 0.015141 29O 2px 0.075180 -0.104116 -0.004123 0.300616 -0.011100 -0.045557 29O 2py 0.106426 -0.085371 0.021840 -0.215280 -0.004674 0.002608 29O 3pz 0.038650 0.038023 -0.039747 0.059172 -0.010896 0.002519 29O 3px 0.039391 0.034719 -0.066085 -0.177079 0.021364 0.061101 29O 3py 0.059971 -0.033981 0.066230 -0.063306 -0.052045 -0.015986 29O 1dz2 0.002169 -0.002169 0.000946 -0.002431 -0.000485 -0.000052 29O 1dxz 0.000047 -0.000509 0.001926 -0.003423 0.000011 0.000515 29O 1dyz -0.001650 -0.003595 0.000577 -0.000502 0.000795 -0.000823 29O 1dx2y2 -0.002397 0.001262 0.001097 0.003610 0.000799 -0.000642 29O 1dxy -0.001484 0.001030 -0.000809 0.000377 0.000132 0.001974 29O 2dz2 -0.001799 0.020994 0.002057 0.020168 0.008327 -0.004284 29O 2dxz -0.015767 0.011623 -0.007177 0.004612 0.017300 0.009377 29O 2dyz -0.025621 -0.003734 0.011608 0.026681 -0.000681 -0.010648 29O 2dx2y2 -0.012228 -0.009782 0.012550 -0.003103 0.007320 -0.008351 29O 2dxy 0.006081 0.001742 0.023042 -0.074639 -0.015547 0.015354 29O 1f0 0.003747 -0.004249 0.002354 -0.007049 -0.001896 -0.001253 29O 1f+1 -0.000338 0.001684 -0.001037 0.002831 0.000367 0.000199 29O 1f-1 0.004556 -0.004054 0.002307 -0.007738 -0.002207 -0.000548 29O 1f+2 -0.000950 0.002946 0.000286 0.000929 0.000407 0.000458 29O 1f-2 -0.003372 -0.002871 0.002880 -0.005928 -0.000163 -0.000412 29O 1f+3 0.002539 -0.000442 -0.000483 -0.001960 -0.000787 -0.000065 29O 1f-3 0.000913 0.000451 -0.000492 0.001594 0.000604 -0.001872 30O 1s 0.005959 0.002849 0.004256 -0.008995 0.002990 -0.004172 30O 2s 0.023372 0.011655 0.013868 -0.030759 0.009509 -0.015395 30O 3s -0.219109 -0.108701 -0.084020 0.275938 -0.022717 0.081189 30O 4s 0.924420 0.480542 0.053129 -0.769182 -0.246138 -0.018650 30O 5s -1.401239 -0.770578 -0.628221 -0.052667 -0.178412 0.792412 30O 1pz -0.071221 0.151997 -0.036500 -0.026138 -0.061948 -0.007702 30O 1px 0.103782 0.110301 0.025833 0.072292 0.016689 -0.100799 30O 1py -0.257456 0.003894 -0.059988 0.069056 0.047189 -0.086440 30O 2pz 0.105653 -0.242891 0.228497 0.135111 0.263061 0.032173 30O 2px -0.018641 -0.122498 -0.050448 -0.354126 -0.134264 0.313518 30O 2py 0.429120 0.013520 0.057249 -0.264024 -0.121906 0.291133 30O 3pz 0.105941 0.224069 0.056245 -0.146012 0.113603 -0.053321 30O 3px -0.283550 -0.067594 -0.127320 0.005300 -0.045906 0.153970 30O 3py -0.216410 0.241672 0.120293 -0.035390 -0.025655 0.178799 30O 1dz2 -0.000813 0.005499 -0.003940 0.001465 0.002815 -0.004343 30O 1dxz -0.000686 0.003751 -0.000670 0.001253 0.005273 -0.003148 30O 1dyz 0.006754 0.006404 0.001418 0.006111 0.000431 -0.008524 30O 1dx2y2 0.000601 0.001302 -0.000154 -0.002261 -0.001065 -0.000841 30O 1dxy 0.005334 0.000176 0.004158 -0.005714 -0.003042 0.006673 30O 2dz2 -0.004071 0.010929 -0.117800 0.068519 0.007059 -0.109841 30O 2dxz -0.010645 0.033603 0.042419 -0.013311 0.065764 0.010635 30O 2dyz 0.236519 0.157856 0.070779 -0.000720 -0.020027 -0.026810 30O 2dx2y2 0.105686 0.037324 0.008747 -0.076522 -0.038145 0.070523 30O 2dxy 0.082268 0.083819 0.022648 -0.037964 0.000057 0.044700 30O 1f0 -0.007455 -0.007140 -0.008533 -0.009678 0.005490 0.015258 30O 1f+1 -0.017258 -0.010272 -0.028927 0.017735 -0.036082 -0.030537 30O 1f-1 0.001078 0.003691 -0.016966 0.007892 -0.029006 -0.028368 30O 1f+2 -0.000217 -0.002666 0.012848 -0.005957 0.007581 0.023566 30O 1f-2 -0.009657 -0.005329 0.003173 0.010996 0.015876 -0.003626 30O 1f+3 0.004265 0.003225 0.007283 -0.008624 0.013303 0.028644 30O 1f-3 0.001548 0.004174 -0.021991 0.014320 -0.005362 -0.014543 31O 1s -0.005920 -0.002910 0.004154 -0.009093 -0.002815 0.004070 31O 2s -0.023246 -0.011855 0.013561 -0.031119 -0.008940 0.015087 31O 3s 0.219052 0.110437 -0.082248 0.277258 0.018808 -0.079675 31O 4s -0.916687 -0.485999 0.053630 -0.765767 0.251699 0.019228 31O 5s 1.378150 0.756185 -0.631346 -0.037977 0.170312 -0.773556 31O 1pz -0.101614 0.154294 0.037303 0.023859 -0.062052 -0.010976 31O 1px 0.094163 0.110044 -0.025221 -0.069842 0.017688 -0.102022 31O 1py -0.269749 0.005294 0.061111 -0.067984 0.047136 -0.089997 31O 2pz 0.148827 -0.249794 -0.229315 -0.128813 0.262202 0.043046 31O 2px -0.000743 -0.120157 0.049910 0.346014 -0.136765 0.315002 31O 2py 0.450561 0.012960 -0.059541 0.258967 -0.121456 0.296889 31O 3pz 0.065062 0.225848 -0.059853 0.147300 0.109577 -0.042796 31O 3px -0.295207 -0.063129 0.130497 -0.005768 -0.042600 0.148733 31O 3py -0.267661 0.243321 -0.118646 0.029640 -0.028478 0.179914 31O 1dz2 0.001720 -0.005660 -0.003906 0.001368 -0.002815 0.004400 31O 1dxz 0.000756 -0.003771 -0.000622 0.001083 -0.005203 0.002938 31O 1dyz -0.007161 -0.006227 0.001554 0.005877 -0.000507 0.008583 31O 1dx2y2 -0.000105 -0.001371 -0.000063 -0.002284 0.001119 0.000727 31O 1dxy -0.005133 -0.000198 0.004218 -0.005561 0.003133 -0.006862 31O 2dz2 0.002467 -0.012988 -0.117502 0.067199 -0.008254 0.113777 31O 2dxz 0.016624 -0.033556 0.042868 -0.014304 -0.064788 -0.014613 31O 2dyz -0.231717 -0.155777 0.071767 -0.001861 0.020644 0.025090 31O 2dx2y2 -0.104756 -0.037696 0.007797 -0.074295 0.039301 -0.071196 31O 2dxy -0.072200 -0.084135 0.024407 -0.037946 0.000553 -0.047295 31O 1f0 -0.006770 -0.006974 0.008621 0.009411 0.005583 0.015136 31O 1f+1 -0.015887 -0.010117 0.028912 -0.017863 -0.035710 -0.031901 31O 1f-1 0.000728 0.003866 0.016735 -0.007889 -0.028870 -0.029235 31O 1f+2 -0.000787 -0.002801 -0.012800 0.005548 0.007492 0.024032 31O 1f-2 -0.009839 -0.005421 -0.003045 -0.010599 0.015829 -0.003377 31O 1f+3 0.003629 0.003162 -0.007223 0.008036 0.013287 0.028990 31O 1f-3 0.001656 0.004249 0.021732 -0.014249 -0.005051 -0.015252 32O 1s -0.002929 0.000718 0.000973 -0.021516 0.000323 -0.002418 32O 2s -0.009085 0.001597 0.002569 -0.071995 0.000466 -0.008297 32O 3s 0.036728 0.013105 0.001234 0.438312 0.011494 0.057240 32O 4s -0.052990 -0.055374 -0.041897 -0.565637 -0.036104 -0.098292 32O 5s 0.411393 -0.190396 -0.088189 0.792174 -0.119986 0.102562 32O 1pz 0.042891 0.001265 0.010028 -0.054167 -0.002143 -0.005355 32O 1px -0.064414 0.083875 0.014626 0.129008 0.020912 0.025453 32O 1py -0.042786 0.026129 -0.007980 -0.067174 -0.014776 0.000769 32O 2pz -0.027691 -0.055866 -0.009101 0.136133 0.003314 0.014556 32O 2px 0.059983 -0.107653 0.006252 -0.299109 -0.009571 -0.044091 32O 2py 0.121549 -0.088133 -0.020573 0.217454 -0.005609 0.003155 32O 3pz 0.042645 0.036977 0.044658 -0.059870 -0.006681 0.003683 32O 3px 0.038948 0.038989 0.066224 0.173811 0.021333 0.061947 32O 3py 0.070515 -0.035635 -0.066293 0.063120 -0.051600 -0.020079 32O 1dz2 -0.002514 0.002196 0.000923 -0.002459 0.000516 0.000036 32O 1dxz -0.000374 0.000492 0.001959 -0.003403 0.000016 -0.000508 32O 1dyz 0.001584 0.003642 0.000580 -0.000579 -0.000802 0.000799 32O 1dx2y2 0.002757 -0.001219 0.001148 0.003603 -0.000810 0.000671 32O 1dxy 0.001749 -0.001034 -0.000757 0.000415 -0.000118 -0.002076 32O 2dz2 0.005102 -0.019509 0.002989 0.019152 -0.008531 0.004534 32O 2dxz 0.017901 -0.011310 -0.007409 0.006447 -0.017830 -0.009692 32O 2dyz 0.027992 0.002371 0.012891 0.026701 0.000819 0.011308 32O 2dx2y2 0.012015 0.011235 0.011921 -0.003179 -0.007656 0.008444 32O 2dxy -0.010216 -0.001427 0.023600 -0.074082 0.015863 -0.015199 32O 1f0 0.004101 -0.004068 -0.002112 0.006675 -0.001773 -0.001298 32O 1f+1 -0.000701 0.001858 0.001110 -0.003241 0.000400 0.000235 32O 1f-1 0.005702 -0.004357 -0.002334 0.008157 -0.002226 -0.000726 32O 1f+2 -0.001172 0.003172 -0.000227 -0.001343 0.000533 0.000433 32O 1f-2 -0.002798 -0.002665 -0.002906 0.005665 -0.000234 -0.000468 32O 1f+3 0.002714 -0.000472 0.000400 0.002135 -0.000810 -0.000096 32O 1f-3 0.000779 0.000344 0.000515 -0.001428 0.000646 -0.001907 33O 1s -0.004673 0.005176 -0.002303 -0.008535 -0.001192 -0.002725 33O 2s -0.015958 0.021510 -0.006949 -0.029851 -0.004958 -0.008179 33O 3s 0.098143 -0.222463 0.032559 0.272400 0.047006 0.004990 33O 4s -0.202289 1.020294 0.013384 -0.767842 -0.166695 0.335340 33O 5s 0.527035 -1.417408 0.483114 -0.080017 0.230357 0.317653 33O 1pz -0.008399 -0.189213 0.056827 0.087497 -0.057510 0.014734 33O 1px -0.024002 -0.132036 0.021682 -0.026648 -0.004023 0.100984 33O 1py 0.192104 -0.024518 -0.065914 -0.042495 0.085179 -0.136796 33O 2pz 0.080663 0.362516 -0.068676 -0.337791 0.144002 0.081624 33O 2px -0.021640 0.051481 -0.112446 0.254262 0.071600 -0.350983 33O 2py -0.253346 -0.013254 0.228169 0.124841 -0.276762 0.317330 33O 3pz 0.045598 -0.104638 -0.045035 -0.099827 0.056847 0.122262 33O 3px -0.252380 0.244960 -0.121929 -0.014856 0.001101 -0.072035 33O 3py 0.233931 0.108075 0.003689 0.116978 -0.083823 -0.025718 33O 1dz2 0.002095 -0.002454 -0.002862 -0.001630 0.000977 -0.005056 33O 1dxz 0.004552 0.000688 0.001480 0.007050 -0.004314 -0.004679 33O 1dyz 0.001125 -0.010597 0.003070 -0.001049 0.001867 0.001698 33O 1dx2y2 -0.002674 0.000086 -0.001491 -0.000148 -0.001327 0.004299 33O 1dxy 0.002707 -0.001864 -0.002510 -0.002155 0.002458 -0.004652 33O 2dz2 -0.011548 -0.127647 -0.052173 -0.007797 0.036455 -0.101749 33O 2dxz 0.010538 0.007184 -0.013549 0.050722 -0.034915 -0.026509 33O 2dyz 0.057211 -0.269811 0.095499 0.057450 -0.017257 0.020827 33O 2dx2y2 0.031451 0.036201 -0.023965 -0.034922 -0.023222 0.043277 33O 2dxy 0.003143 -0.015965 -0.087749 -0.106326 0.093697 -0.059044 33O 1f0 -0.006137 0.002933 0.002082 -0.002100 0.027475 -0.000343 33O 1f+1 -0.000092 -0.004784 0.014283 0.024275 -0.038397 0.000154 33O 1f-1 0.006277 -0.008774 0.005843 -0.002236 -0.008909 0.004268 33O 1f+2 0.002273 0.007004 -0.003872 -0.014285 0.003992 0.001628 33O 1f-2 0.000888 -0.009613 -0.025716 -0.012260 0.046711 -0.023357 33O 1f+3 0.001353 -0.002721 0.013409 -0.000135 -0.001212 0.010567 33O 1f-3 -0.008471 0.015635 -0.023939 -0.017403 0.032757 -0.016517 34O 1s 0.005517 0.000902 0.005319 -0.006866 -0.003534 0.000280 34O 2s 0.018699 0.003048 0.016245 -0.023067 -0.011930 0.002370 34O 3s -0.137401 -0.033139 -0.085950 0.202717 0.058647 0.016684 34O 4s 0.244816 0.080648 -0.026269 -0.485341 0.033160 -0.219054 34O 5s -0.127149 -0.161811 -0.359941 -0.256887 0.551733 -0.617456 34O 1pz 0.022152 0.120254 -0.178660 0.037866 0.034533 0.055396 34O 1px 0.122107 0.073942 -0.049493 0.084436 -0.067865 0.107739 34O 1py 0.097075 0.121385 -0.160271 0.077803 -0.001916 -0.003172 34O 2pz -0.056542 -0.182716 0.264906 -0.048122 -0.119067 -0.135362 34O 2px -0.082928 -0.051183 -0.007724 -0.329790 0.220632 -0.386044 34O 2py -0.178176 -0.184022 0.300385 -0.113466 -0.072689 -0.007736 34O 3pz -0.235409 0.201737 0.001626 -0.059275 -0.052760 -0.116212 34O 3px 0.048061 0.047627 -0.101473 -0.202411 0.115570 -0.309998 34O 3py 0.265736 0.212461 -0.165984 0.342599 -0.148923 0.050810 34O 1dz2 0.002344 0.001081 -0.001039 0.002047 -0.000631 0.006950 34O 1dxz -0.000170 0.000417 0.003280 0.000253 0.000850 -0.000548 34O 1dyz -0.003812 -0.000226 -0.002488 0.004233 -0.001087 0.004588 34O 1dx2y2 -0.008806 -0.006556 0.003325 -0.007502 0.005641 -0.009954 34O 1dxy -0.003083 -0.000862 0.000372 0.003572 -0.002342 0.004956 34O 2dz2 -0.000873 0.009238 0.008770 0.024508 -0.004809 0.031470 34O 2dxz -0.116131 -0.005193 0.044517 -0.007504 -0.037424 -0.048729 34O 2dyz -0.039010 -0.027229 -0.040100 0.046498 -0.009642 0.082512 34O 2dx2y2 -0.075922 -0.022977 0.014155 -0.095241 0.041696 -0.079692 34O 2dxy 0.079116 0.093523 0.032563 0.018240 -0.022193 -0.061477 34O 1f0 -0.004459 -0.006784 0.008612 -0.004474 0.018317 0.017887 34O 1f+1 -0.000604 -0.003806 0.010811 0.005620 -0.004484 0.008625 34O 1f-1 -0.004049 -0.001127 -0.003249 -0.001486 0.007666 0.004614 34O 1f+2 -0.012843 -0.001321 -0.011011 0.003612 -0.021379 -0.017089 34O 1f-2 0.006011 0.004086 0.006951 0.000916 0.012323 0.005905 34O 1f+3 -0.009923 -0.009232 -0.001936 0.003382 0.019728 0.020654 34O 1f-3 0.000985 -0.002861 0.005626 -0.014290 0.025865 -0.007029 35O 1s -0.000099 -0.007378 -0.001226 -0.004623 0.001440 -0.006822 35O 2s -0.001703 -0.025051 -0.003492 -0.015319 0.004290 -0.022369 35O 3s 0.021949 0.182916 0.006048 0.154176 -0.024534 0.113497 35O 4s -0.180973 -0.320231 0.093357 -0.450174 0.008608 0.079320 35O 5s 0.415919 0.327796 0.515865 -0.481442 -0.037675 0.396886 35O 1pz -0.026817 0.084838 -0.102850 -0.106654 0.021004 -0.066474 35O 1px -0.029648 -0.106482 -0.087345 0.062691 0.034166 -0.115424 35O 1py 0.111970 -0.073311 0.208933 0.107660 -0.067879 0.058744 35O 2pz 0.055835 -0.137298 0.216563 0.167061 -0.094352 0.144565 35O 2px 0.066841 0.065687 0.248891 -0.320423 -0.096076 0.337992 35O 2py -0.152214 0.085852 -0.252795 -0.292785 0.186352 -0.023765 35O 3pz -0.334279 0.219945 -0.256860 -0.214309 -0.058463 0.119809 35O 3px -0.145102 -0.082689 -0.014994 -0.156246 0.020042 0.088160 35O 3py 0.060250 0.116486 -0.071802 -0.081242 0.145245 0.019660 35O 1dz2 0.005058 -0.007452 0.002736 0.006190 0.000861 -0.002734 35O 1dxz 0.002970 -0.003342 0.002624 0.002054 0.000078 0.001749 35O 1dyz 0.005364 -0.004502 0.001882 -0.006101 0.000292 -0.001649 35O 1dx2y2 0.002623 0.006187 0.000424 -0.002852 0.000389 0.006552 35O 1dxy 0.004848 0.005828 -0.003938 -0.005877 0.002271 0.000655 35O 2dz2 0.084885 -0.086350 0.024414 0.074256 -0.002432 -0.004529 35O 2dxz -0.038676 0.094726 0.052605 0.036382 -0.059013 0.043987 35O 2dyz 0.112197 -0.002695 0.023901 -0.057367 -0.000186 -0.038480 35O 2dx2y2 -0.031156 -0.024117 0.028394 -0.008642 -0.058715 0.128095 35O 2dxy 0.049826 0.105093 -0.024438 -0.091442 0.054794 -0.033209 35O 1f0 0.003634 -0.002935 0.003491 0.010133 0.009904 0.000687 35O 1f+1 -0.008044 0.015487 0.005269 0.007202 -0.009280 0.000042 35O 1f-1 0.009988 -0.006615 0.000430 0.001176 -0.013843 -0.007178 35O 1f+2 0.004489 -0.002312 -0.003099 -0.001341 -0.017186 0.000427 35O 1f-2 -0.003834 0.006712 0.001737 -0.007535 -0.008104 0.009272 35O 1f+3 0.001654 0.003570 0.009452 0.008360 0.037320 0.017939 35O 1f-3 -0.007739 0.004077 -0.011987 0.007078 -0.010776 -0.013173 480 481 482 483 484 485 2.93744 2.94748 2.97874 2.98372 2.99665 3.00054 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s 0.000149 -0.003855 -0.001553 0.000303 0.001084 0.000083 0Rh 2s -0.000734 0.030591 0.008548 -0.002176 -0.011255 0.001682 0Rh 3s 0.000441 -0.004270 -0.004035 0.000476 -0.000423 0.001524 0Rh 4s 0.003968 -0.161103 -0.046256 0.011499 0.058329 -0.008236 0Rh 5s -0.007520 0.320180 0.092220 -0.022009 -0.112495 0.017437 0Rh 6s 0.006722 -0.212391 -0.094132 0.010933 0.030810 0.001569 0Rh 7s -0.031910 -0.004605 0.506514 0.033095 0.145503 -0.157474 0Rh 8s -0.048225 -0.124697 0.242718 -0.013841 0.382571 -0.033585 0Rh 1pz -0.003747 0.000267 -0.002825 -0.000037 0.000620 -0.000570 0Rh 1px -0.002600 -0.001590 0.003658 0.000669 0.002284 -0.003423 0Rh 1py 0.002746 -0.003525 0.000822 -0.000084 0.001215 -0.000837 0Rh 2pz 0.014232 -0.001137 0.009817 -0.000104 -0.001823 0.002112 0Rh 2px 0.009574 0.006050 -0.012633 -0.002472 -0.009163 0.012193 0Rh 2py -0.009710 0.013360 -0.002768 -0.000041 -0.004873 0.003604 0Rh 3pz -0.029195 0.004810 -0.000788 0.005764 -0.007453 -0.003303 0Rh 3px -0.013088 -0.011729 -0.001614 0.003394 0.027236 -0.006922 0Rh 3py 0.005053 -0.025910 -0.002007 0.008060 0.015245 -0.015777 0Rh 4pz 0.021218 -0.011952 -0.072081 -0.027516 0.046426 -0.000694 0Rh 4px -0.016262 0.000025 0.109772 0.004845 -0.039332 -0.068023 0Rh 4py 0.050072 0.008416 0.031453 -0.038252 -0.029434 0.039414 0Rh 5pz -0.045196 0.020092 0.159310 0.073373 -0.090907 -0.003504 0Rh 5px 0.040434 0.027376 -0.264413 -0.012798 0.034391 0.165001 0Rh 5py -0.097405 -0.010978 -0.072826 0.091240 0.061362 -0.071211 0Rh 6pz 0.073038 0.193756 -0.771724 -0.380216 -0.154622 0.162292 0Rh 6px -0.239250 -0.185593 1.418740 -0.069882 0.321367 -0.738345 0Rh 6py 0.203688 0.399523 0.320875 0.048830 -0.182196 0.224137 0Rh 1dz2 0.001952 -0.001439 -0.009608 -0.010008 0.003730 -0.001448 0Rh 1dxz -0.002139 0.002999 0.000178 0.007649 0.000910 0.009920 0Rh 1dyz 0.003707 -0.004038 0.002053 -0.029136 -0.000212 0.005329 0Rh 1dx2y2 0.006059 0.002129 0.013878 -0.002746 -0.008684 0.005286 0Rh 1dxy -0.012314 -0.005338 0.000822 -0.003265 0.001383 -0.009345 0Rh 2dz2 0.000168 0.000578 0.002174 -0.000277 0.001671 -0.002151 0Rh 2dxz -0.002066 0.001422 0.004143 0.000885 0.001785 -0.000951 0Rh 2dyz -0.000959 -0.000083 0.000610 -0.001941 0.000205 -0.000605 0Rh 2dx2y2 0.000442 -0.001103 -0.005117 0.000360 -0.003610 0.003953 0Rh 2dxy -0.001571 -0.000772 -0.002807 0.000505 -0.001010 -0.000558 0Rh 3dz2 -0.006582 0.001793 0.019917 0.031914 -0.019035 0.014230 0Rh 3dxz 0.015824 -0.015417 -0.019216 -0.027652 -0.010889 -0.026575 0Rh 3dyz -0.006987 0.012624 -0.009107 0.098273 -0.000212 -0.013732 0Rh 3dx2y2 -0.020585 -0.001944 -0.019929 0.006916 0.043242 -0.034238 0Rh 3dxy 0.044984 0.019724 0.010111 0.007649 0.000293 0.031676 0Rh 4dz2 0.002455 0.006121 0.018638 -0.009383 0.025503 -0.031973 0Rh 4dxz -0.031684 0.019210 0.057225 0.020076 0.024325 -0.000551 0Rh 4dyz -0.011187 -0.003259 0.010139 -0.046316 0.001940 -0.003440 0Rh 4dx2y2 0.011483 -0.007689 -0.054205 0.002806 -0.057278 0.060378 0Rh 4dxy -0.036127 -0.013533 -0.037953 0.007220 -0.011862 -0.020551 0Rh 5dz2 0.004731 -0.013406 -0.070481 -0.141679 0.026670 0.036923 0Rh 5dxz 0.088746 0.023918 -0.061103 0.024174 0.020164 0.047164 0Rh 5dyz 0.072034 -0.049711 0.007849 -0.319099 0.008358 0.036695 0Rh 5dx2y2 0.055083 -0.029988 0.135543 -0.048984 -0.046469 -0.053623 0Rh 5dxy 0.002553 -0.051370 0.058204 -0.107499 0.002797 0.002244 0Rh 1f0 -0.028414 0.014119 -0.010752 -0.014390 0.010923 0.002003 0Rh 1f+1 0.009730 0.000741 0.013267 0.004102 -0.018456 -0.001021 0Rh 1f-1 0.030866 0.008599 0.010868 -0.022990 -0.011744 0.005469 0Rh 1f+2 -0.052326 -0.002050 -0.002345 -0.000789 -0.017700 -0.002774 0Rh 1f-2 -0.023369 0.013266 -0.000461 0.024551 -0.015813 -0.003935 0Rh 1f+3 0.035628 -0.016211 0.021327 -0.002960 -0.021038 0.002513 0Rh 1f-3 -0.015038 -0.000344 0.007405 -0.013305 -0.019321 -0.002746 1Rh 1s -0.000104 -0.003859 0.001553 0.000359 0.001089 -0.000177 1Rh 2s 0.000385 0.030657 -0.008540 -0.002460 -0.011495 -0.000666 1Rh 3s -0.000382 -0.004251 0.004038 0.000636 -0.000538 -0.001463 1Rh 4s -0.002132 -0.161447 0.046209 0.013048 0.059545 0.002969 1Rh 5s 0.003919 0.320933 -0.092070 -0.025057 -0.115043 -0.007067 1Rh 6s -0.004507 -0.212979 0.093742 0.014071 0.031513 -0.005518 1Rh 7s 0.032609 -0.005348 -0.506248 0.016195 0.163593 0.148153 1Rh 8s 0.050010 -0.121978 -0.240252 -0.022048 0.381290 0.001352 1Rh 1pz -0.003806 -0.000440 -0.002786 -0.000039 -0.000634 -0.000361 1Rh 1px -0.002646 0.001621 0.003659 -0.000469 -0.002532 -0.003232 1Rh 1py 0.002669 0.003473 0.000793 0.000100 -0.001297 -0.000785 1Rh 2pz 0.014454 0.001750 0.009659 0.000362 0.001887 0.001388 1Rh 2px 0.009748 -0.006176 -0.012640 0.001766 0.010037 0.011430 1Rh 2py -0.009421 -0.013153 -0.002659 -0.000028 0.005219 0.003389 1Rh 3pz -0.029575 -0.005136 -0.000240 -0.005601 0.007056 -0.003348 1Rh 3px -0.013406 0.012113 -0.001580 -0.003171 -0.027559 -0.004759 1Rh 3py 0.004519 0.025267 -0.002141 -0.007776 -0.016551 -0.015031 1Rh 4pz 0.021105 0.008809 -0.073320 0.024721 -0.045157 0.005511 1Rh 4px -0.016301 -0.000619 0.109636 -0.000162 0.033746 -0.070812 1Rh 4py 0.050157 -0.007028 0.031140 0.037766 0.032278 0.037833 1Rh 5pz -0.044841 -0.013833 0.162140 -0.066924 0.088062 -0.018165 1Rh 5px 0.040950 -0.026749 -0.263886 0.001534 -0.021321 0.166639 1Rh 5py -0.097426 0.007726 -0.072217 -0.091089 -0.066180 -0.068218 1Rh 6pz 0.083426 -0.213116 -0.776717 0.348354 0.176899 0.197673 1Rh 6px -0.237580 0.189269 1.412893 0.128201 -0.373163 -0.698223 1Rh 6py 0.200679 -0.392211 0.341004 -0.047769 0.197163 0.217649 1Rh 1dz2 -0.001964 -0.001271 0.010047 -0.009892 0.003769 0.001065 1Rh 1dxz 0.002265 0.002248 -0.000421 0.007728 0.000297 -0.009566 1Rh 1dyz -0.004310 -0.004180 -0.001277 -0.028896 -0.000597 -0.005455 1Rh 1dx2y2 -0.006060 0.001869 -0.013969 -0.003065 -0.008856 -0.004631 1Rh 1dxy 0.012177 -0.005234 -0.000541 -0.003738 0.002195 0.009398 1Rh 2dz2 -0.000147 0.000583 -0.002154 -0.000409 0.001833 0.001998 1Rh 2dxz 0.002059 0.001345 -0.004167 0.000717 0.001879 0.000852 1Rh 2dyz 0.000927 -0.000065 -0.000558 -0.001979 0.000234 0.000573 1Rh 2dx2y2 -0.000408 -0.001110 0.005097 0.000574 -0.003901 -0.003621 1Rh 2dxy 0.001580 -0.000678 0.002812 0.000565 -0.000968 0.000660 1Rh 3dz2 0.006521 0.001252 -0.021353 0.032157 -0.019887 -0.012364 1Rh 3dxz -0.016184 -0.012756 0.020075 -0.027141 -0.009402 0.025927 1Rh 3dyz 0.008968 0.012976 0.006496 0.097707 0.000851 0.014261 1Rh 3dx2y2 0.020437 -0.001122 0.020303 0.006940 0.045087 0.030711 1Rh 3dxy -0.044606 0.018978 -0.010997 0.008849 -0.002430 -0.032308 1Rh 4dz2 -0.002062 0.006398 -0.018049 -0.011114 0.027785 0.029627 1Rh 4dxz 0.031759 0.017304 -0.057815 0.017844 0.024787 -0.000337 1Rh 4dyz 0.010385 -0.003105 -0.008976 -0.046608 0.001967 0.002963 1Rh 4dx2y2 -0.011027 -0.008019 0.053792 0.005385 -0.061385 -0.055275 1Rh 4dxy 0.036180 -0.012057 0.038198 0.007463 -0.010164 0.022001 1Rh 5dz2 -0.007648 -0.012740 0.075221 -0.138808 0.024134 -0.039793 1Rh 5dxz -0.088239 0.021792 0.060434 0.027805 0.017519 -0.047561 1Rh 5dyz -0.078580 -0.050941 0.001493 -0.317539 0.006380 -0.038757 1Rh 5dx2y2 -0.056014 -0.030602 -0.135028 -0.053778 -0.042863 0.056105 1Rh 5dxy -0.004854 -0.055163 -0.054303 -0.110859 0.002638 -0.002311 1Rh 1f0 -0.027859 -0.013227 -0.010964 0.014603 -0.010862 0.003485 1Rh 1f+1 0.009612 -0.000046 0.013463 -0.003690 0.018145 -0.001875 1Rh 1f-1 0.031499 -0.006188 0.010293 0.023474 0.011663 0.004733 1Rh 1f+2 -0.052189 0.001005 -0.002352 0.001402 0.017696 -0.004360 1Rh 1f-2 -0.023766 -0.012331 0.000488 -0.023738 0.015440 -0.005140 1Rh 1f+3 0.035403 0.016219 0.020920 0.003035 0.021017 0.000772 1Rh 1f-3 -0.014736 0.000670 0.007189 0.014003 0.018947 -0.003838 2C 1s -0.000405 -0.004076 0.003445 -0.017897 0.018677 0.002501 2C 2s -0.002110 -0.008271 0.011606 -0.048394 0.051186 0.006828 2C 3s 0.240688 -0.128789 -0.213404 0.005033 0.133687 0.069954 2C 4s -1.070747 0.911216 0.946634 0.869213 -1.816149 -0.446222 2C 5s -1.104633 -1.164156 -0.388948 -2.570132 2.826706 0.157408 2C 1pz 0.054176 -0.054236 -0.041610 -0.030226 0.035120 0.035930 2C 1px 0.008765 -0.043455 -0.007611 -0.028065 0.009995 0.005459 2C 1py 0.093138 -0.059681 -0.040535 -0.023561 0.017815 -0.018098 2C 2pz -0.362783 -0.047293 0.767196 -0.714195 0.283125 -0.116137 2C 2px -0.042684 0.111861 -0.006486 0.057861 -0.076252 -0.047767 2C 2py -0.649487 0.496254 0.434180 -0.404693 0.069071 0.055099 2C 3pz -0.282580 -0.251341 0.005152 -0.497387 0.421542 -0.054714 2C 3px -0.092594 -0.087229 -0.141034 0.013125 0.044219 0.104027 2C 3py -0.297783 -0.101546 -0.068377 -0.305954 0.298674 -0.021470 2C 1dz2 -0.023998 0.020493 0.008506 0.015796 0.019095 0.102140 2C 1dxz 0.047255 -0.049379 -0.022611 -0.013062 -0.021038 -0.072427 2C 1dyz 0.014470 -0.066079 0.006420 -0.065677 -0.001882 -0.071051 2C 1dx2y2 -0.028536 -0.104698 0.030871 -0.095046 -0.027418 -0.095823 2C 1dxy -0.138657 -0.009627 0.031391 -0.056551 -0.007760 0.045897 2C 2dz2 -0.048117 -0.055898 0.183810 -0.257639 0.120223 -0.044125 2C 2dxz -0.263909 0.278973 0.228129 -0.187016 0.096078 0.081649 2C 2dyz -0.231207 0.122381 0.108752 -0.158135 0.068021 0.074787 2C 2dx2y2 -0.025402 0.224360 -0.297953 0.370397 -0.149695 0.187814 2C 2dxy 0.343869 -0.363724 0.078574 -0.045599 0.039819 -0.209894 2C 1f0 -0.068004 0.111814 -0.068200 0.060315 -0.018314 0.040414 2C 1f+1 0.021445 0.067901 0.064606 -0.067301 0.050329 -0.061190 2C 1f-1 -0.018923 -0.060691 -0.028740 -0.088459 -0.011236 -0.027289 2C 1f+2 -0.033679 0.083975 -0.024773 -0.005495 0.011525 -0.037335 2C 1f-2 -0.061946 -0.022293 0.130594 -0.042505 0.008635 -0.003915 2C 1f+3 -0.000181 -0.111154 0.096427 -0.146437 0.116212 0.051527 2C 1f-3 0.038867 -0.002334 -0.004695 -0.011118 0.046158 0.056111 3C 1s 0.002590 0.000016 -0.000928 0.017583 0.019481 0.010135 3C 2s 0.011172 0.003418 -0.000391 0.046516 0.053339 0.028494 3C 3s -0.407158 -0.224425 -0.283486 0.080723 0.156420 -0.125075 3C 4s 2.139178 1.228739 1.488130 -1.292866 -2.007446 -0.014513 3C 5s -0.939950 -0.348653 -0.355117 2.604008 2.866884 0.841207 3C 1pz -0.097380 -0.052561 -0.062354 0.017981 0.033677 -0.042228 3C 1px -0.070000 -0.045759 -0.036053 0.042383 0.017055 -0.005332 3C 1py 0.083170 0.081503 0.069550 -0.073124 -0.031920 0.007217 3C 2pz 1.321789 0.638882 0.552852 0.262868 0.027554 0.388207 3C 2px 0.697757 0.379883 0.147935 -0.093403 -0.097287 0.083581 3C 2py -1.036905 -0.419327 -0.733493 -0.495582 -0.230783 -0.628980 3C 3pz -0.030186 0.027400 0.071597 0.311203 0.284196 0.041298 3C 3px 0.004654 0.025062 -0.116370 0.165609 0.087866 0.137548 3C 3py 0.198039 0.081455 -0.018403 -0.454569 -0.418978 -0.145275 3C 1dz2 -0.118220 0.011106 -0.053463 -0.072352 0.056571 -0.077299 3C 1dxz 0.058670 0.042126 -0.031001 -0.028058 -0.010218 0.038308 3C 1dyz -0.035549 0.000818 -0.021346 -0.049317 -0.013750 -0.044315 3C 1dx2y2 0.043626 0.015698 0.055121 0.007980 -0.002816 -0.010613 3C 1dxy 0.101630 0.053043 -0.003318 -0.013143 -0.032868 0.057328 3C 2dz2 0.345995 0.193456 0.008826 -0.029224 -0.104226 0.016001 3C 2dxz -0.094948 -0.132355 0.318301 0.315220 0.231213 0.002071 3C 2dyz -0.101073 0.040882 -0.045574 -0.132337 -0.023231 -0.203657 3C 2dx2y2 -0.659542 -0.339777 -0.260317 -0.205813 -0.103761 -0.216926 3C 2dxy -0.636993 -0.325245 -0.154770 -0.047408 -0.002673 -0.129651 3C 1f0 -0.035586 0.076023 -0.036185 -0.170340 -0.050720 -0.127372 3C 1f+1 -0.007594 -0.008577 -0.020285 0.002636 -0.002401 0.040630 3C 1f-1 0.121996 0.109079 0.084551 -0.048648 -0.011559 -0.021798 3C 1f+2 -0.027731 -0.011723 0.061227 0.073816 0.105109 0.010617 3C 1f-2 0.016064 0.068685 -0.112841 -0.088050 -0.021138 -0.060011 3C 1f+3 0.052927 0.024744 0.051592 0.068554 0.072230 -0.024097 3C 1f-3 -0.089219 -0.091147 0.089358 0.016636 -0.001311 0.010446 4C 1s 0.000030 -0.011770 -0.000719 -0.008534 -0.000383 -0.000410 4C 2s 0.002225 -0.037334 -0.003671 -0.029654 0.003490 -0.000611 4C 3s -0.551222 -0.084954 0.127947 0.195594 -0.504611 -0.213375 4C 4s 2.453246 1.177958 -0.676015 -0.073572 2.367209 0.941535 4C 5s 1.459161 1.272577 0.097031 1.133587 -0.842306 0.409145 4C 1pz -0.002329 -0.065718 -0.086330 -0.042617 0.095915 0.015855 4C 1px -0.010883 0.020346 0.067881 0.065324 -0.024434 -0.032009 4C 1py -0.019484 -0.027615 -0.033447 -0.002900 0.047358 -0.005405 4C 2pz 0.026337 0.907050 0.734176 -0.152406 0.244091 0.194464 4C 2px 0.075174 0.103056 0.334549 -0.479118 0.199751 -0.195432 4C 2py 0.097108 0.583234 0.571554 -0.250985 0.216780 0.032903 4C 3pz -0.579124 -0.343307 -0.232768 -1.431216 1.417819 0.085133 4C 3px -0.000695 0.147616 -0.139366 -0.310832 0.199429 -0.088080 4C 3py -0.249559 -0.293355 -0.100383 -0.987797 0.872863 0.172133 4C 1dz2 0.131786 -0.289309 0.174983 -0.189207 0.149434 -0.005327 4C 1dxz 0.217924 0.062017 -0.222885 0.088355 -0.032576 -0.041249 4C 1dyz -0.110873 0.003681 0.003049 -0.220792 0.027215 -0.093652 4C 1dx2y2 0.039731 -0.192524 -0.116191 -0.003422 -0.193122 -0.250435 4C 1dxy -0.212906 -0.209775 0.005033 -0.030874 0.072628 0.257266 4C 2dz2 -0.036647 0.150329 -0.578413 0.407009 -0.170707 0.107667 4C 2dxz -0.237291 -0.475562 0.408157 -0.230268 -0.064336 -0.296577 4C 2dyz 0.430910 -0.087765 -0.188330 0.267206 0.216575 0.191464 4C 2dx2y2 0.263629 0.480561 0.352126 -0.143081 0.508925 0.326691 4C 2dxy 0.235477 0.579178 0.136305 -0.058873 0.092533 -0.330597 4C 1f0 0.002926 -0.029488 -0.067502 0.001075 -0.078406 -0.128859 4C 1f+1 -0.173609 -0.198615 0.059984 -0.093154 -0.063993 -0.011277 4C 1f-1 -0.014317 -0.040855 -0.035923 -0.022369 0.040077 0.080922 4C 1f+2 0.049404 0.156859 -0.055523 0.063104 0.059876 0.089801 4C 1f-2 0.017210 -0.010383 0.047727 -0.060269 0.014681 -0.122672 4C 1f+3 0.091757 0.002906 -0.095324 0.010340 -0.046591 -0.097636 4C 1f-3 -0.103590 -0.098350 -0.081418 -0.009284 -0.097292 -0.026686 5C 1s -0.003486 -0.009705 -0.000981 0.011111 -0.000346 0.003342 5C 2s -0.015036 -0.030866 -0.005858 0.038076 0.003716 0.009563 5C 3s 0.189141 -0.048956 0.370203 -0.222652 -0.510496 0.323439 5C 4s -0.922232 0.757802 -1.660958 0.046555 2.414792 -1.797893 5C 5s 0.491385 0.806764 -0.308640 -1.265558 -0.849972 -1.235059 5C 1pz -0.073543 -0.050119 -0.063281 0.039215 0.070138 0.034063 5C 1px -0.053729 -0.011497 0.053697 -0.024894 -0.011353 -0.059910 5C 1py 0.159022 0.079883 0.080326 -0.049702 -0.105320 -0.044039 5C 2pz 1.030724 0.755003 0.325418 -0.134756 0.003216 0.039751 5C 2px 0.627606 0.372122 0.402089 0.146576 0.401080 -0.165096 5C 2py -1.827279 -1.214858 -0.623660 0.106099 -0.107316 -0.028573 5C 3pz -0.258249 0.048470 -0.138908 0.847947 0.784795 0.122783 5C 3px -0.224242 -0.002833 -0.252196 0.376401 0.505008 -0.251628 5C 3py 0.470105 -0.254907 0.197739 -1.457497 -1.378940 -0.002048 5C 1dz2 0.245844 0.317560 -0.009566 -0.221900 0.031496 -0.242614 5C 1dxz 0.264742 0.088803 0.035221 0.135344 0.081845 0.268377 5C 1dyz -0.144288 0.018061 -0.162146 -0.272303 -0.085904 -0.173397 5C 1dx2y2 0.106796 0.084321 -0.025040 -0.105674 -0.172870 0.082125 5C 1dxy 0.000059 -0.073790 0.257489 0.110421 0.031149 0.113799 5C 2dz2 -0.360981 -0.599029 0.054022 0.289124 -0.293995 0.543371 5C 2dxz -0.382873 -0.299260 -0.020116 -0.197438 -0.216628 -0.308985 5C 2dyz 0.390631 -0.063514 0.579645 0.332580 -0.125409 0.324085 5C 2dx2y2 0.569880 0.466037 0.368078 0.110517 0.377035 -0.317801 5C 2dxy 0.526563 0.461288 -0.455242 -0.266788 -0.282507 0.090679 5C 1f0 0.042104 -0.044882 0.132400 0.067467 -0.026002 0.127345 5C 1f+1 -0.042263 -0.055072 -0.048250 -0.013132 -0.072213 0.021222 5C 1f-1 -0.008679 0.031249 0.019570 -0.012967 0.015712 -0.101758 5C 1f+2 -0.025342 0.011914 -0.004201 -0.059074 -0.033561 -0.051626 5C 1f-2 0.085800 0.122279 -0.119312 -0.085134 0.012450 0.018381 5C 1f+3 0.012865 -0.133741 0.062034 0.135119 -0.051651 0.186955 5C 1f-3 0.053071 0.121374 0.002126 -0.040605 0.114602 -0.056676 6C 1s 0.003682 -0.009569 0.000690 0.011208 -0.000645 -0.003249 6C 2s 0.015634 -0.030227 0.004867 0.038396 0.002766 -0.009649 6C 3s -0.186386 -0.081497 -0.365844 -0.225295 -0.527000 -0.284341 6C 4s 0.891808 0.903685 1.667924 0.045136 2.514373 1.607551 6C 5s -0.515516 0.859933 0.337926 -1.268008 -0.759028 1.293057 6C 1pz -0.072551 0.047995 -0.062720 -0.040466 -0.066196 0.039889 6C 1px -0.052478 0.010398 0.053376 0.030047 0.007869 -0.061436 6C 1py 0.157368 -0.075420 0.079507 0.050412 0.099467 -0.052521 6C 2pz 1.022096 -0.729706 0.326516 0.125312 -0.010410 0.035396 6C 2px 0.621152 -0.354672 0.402679 -0.152670 -0.428340 -0.114468 6C 2py -1.812971 1.170164 -0.626868 -0.090679 0.124699 -0.033931 6C 3pz -0.272417 -0.049788 -0.115296 -0.850523 -0.767267 0.174988 6C 3px -0.226435 0.001361 -0.241489 -0.380217 -0.519126 -0.194785 6C 3py 0.493543 0.253631 0.158852 1.455200 1.369421 -0.101678 6C 1dz2 -0.251418 0.312160 0.014399 -0.224744 0.052490 0.229398 6C 1dxz -0.263537 0.092066 -0.036616 0.139586 0.058340 -0.257350 6C 1dyz 0.139953 0.026401 0.169423 -0.273542 -0.074228 0.179178 6C 1dx2y2 -0.107792 0.076228 0.027400 -0.106018 -0.178938 -0.066804 6C 1dxy 0.002110 -0.071429 -0.256408 0.104746 0.022974 -0.104311 6C 2dz2 0.370841 -0.600012 -0.059350 0.294603 -0.338576 -0.501916 6C 2dxz 0.373094 -0.302308 0.022228 -0.207364 -0.189236 0.299309 6C 2dyz -0.379331 -0.095541 -0.588469 0.330798 -0.139710 -0.318225 6C 2dx2y2 -0.563369 0.457578 -0.370012 0.109762 0.410782 0.279893 6C 2dxy -0.529763 0.445680 0.451371 -0.247159 -0.289378 -0.072511 6C 1f0 0.040811 0.046365 0.133200 -0.066008 0.035359 0.119343 6C 1f+1 -0.042758 0.059056 -0.046918 0.011983 0.073949 0.020343 6C 1f-1 -0.008768 -0.029563 0.019519 0.015373 -0.024753 -0.095675 6C 1f+2 -0.025689 -0.009618 -0.005347 0.059049 0.028660 -0.050377 6C 1f-2 0.088283 -0.125448 -0.121862 0.082262 -0.009304 0.014865 6C 1f+3 0.010088 0.136130 0.064881 -0.137061 0.066599 0.176460 6C 1f-3 0.055564 -0.125295 0.000836 0.041248 -0.117941 -0.048411 7C 1s 0.000044 -0.011576 0.001039 -0.008444 -0.000351 0.000333 7C 2s -0.001972 -0.036499 0.004787 -0.029212 0.003452 -0.000050 7C 3s 0.550079 -0.098080 -0.138263 0.174274 -0.476689 0.253471 7C 4s -2.447129 1.240476 0.694052 0.023087 2.238458 -1.121746 7C 5s -1.460248 1.245880 -0.138531 1.145422 -0.884823 -0.322599 7C 1pz -0.005357 0.056520 -0.088486 0.036752 -0.092383 0.026076 7C 1px -0.011243 -0.021201 0.069946 -0.063743 0.022598 -0.035982 7C 1py -0.021585 0.022674 -0.034372 -0.000023 -0.046375 -0.000742 7C 2pz 0.065371 -0.807723 0.734677 0.199174 -0.247811 0.192360 7C 2px 0.080415 -0.088356 0.320987 0.497639 -0.222730 -0.149863 7C 2py 0.122545 -0.522770 0.570638 0.288349 -0.229280 0.047590 7C 3pz -0.558612 0.310440 -0.283438 1.412798 -1.398749 0.202576 7C 3px 0.004054 -0.151416 -0.142956 0.304973 -0.205852 -0.054056 7C 3py -0.236225 0.280826 -0.132083 0.981317 -0.857495 0.249408 7C 1dz2 -0.135296 -0.282245 -0.167558 -0.189249 0.148725 -0.011082 7C 1dxz -0.218266 0.059740 0.217682 0.097188 -0.030547 0.050882 7C 1dyz 0.110888 -0.005931 0.003078 -0.226512 0.038115 0.090795 7C 1dx2y2 -0.038559 -0.187426 0.112970 -0.003486 -0.171319 0.268316 7C 1dxy 0.210215 -0.203449 -0.000874 -0.025362 0.049880 -0.266272 7C 2dz2 0.053155 0.166436 0.562940 0.427022 -0.187372 -0.080113 7C 2dxz 0.247699 -0.448776 -0.396489 -0.242246 -0.042587 0.272613 7C 2dyz -0.425184 -0.051592 0.186419 0.295146 0.187926 -0.211442 7C 2dx2y2 -0.279570 0.456046 -0.342621 -0.147954 0.478517 -0.364817 7C 2dxy -0.231174 0.566191 -0.142477 -0.073927 0.123589 0.317759 7C 1f0 0.002131 0.029209 -0.066913 -0.000756 0.066949 -0.137242 7C 1f+1 -0.174184 0.196408 0.056867 0.097262 0.060500 -0.011685 7C 1f-1 -0.014011 0.038613 -0.037129 0.019248 -0.032590 0.084149 7C 1f+2 0.049985 -0.155202 -0.053628 -0.067430 -0.050738 0.093243 7C 1f-2 0.014982 0.011296 0.046407 0.063827 -0.025156 -0.120138 7C 1f+3 0.091859 -0.001080 -0.093726 -0.011224 0.037607 -0.103098 7C 1f-3 -0.105153 0.098329 -0.080850 0.008456 0.095042 -0.034961 8C 1s -0.002498 0.000126 0.000404 0.017927 0.018557 -0.011638 8C 2s -0.010921 0.003573 -0.001019 0.047473 0.050805 -0.032616 8C 3s 0.402522 -0.202487 0.283396 0.079556 0.158797 0.113201 8C 4s -2.115532 1.109306 -1.460949 -1.302784 -1.959338 0.169224 8C 5s 0.972253 -0.356005 0.289638 2.617370 2.783897 -1.053854 8C 1pz -0.097087 0.047838 -0.062111 -0.017545 -0.035381 -0.038958 8C 1px -0.070254 0.043310 -0.034479 -0.043535 -0.016415 -0.003194 8C 1py 0.082381 -0.075115 0.068058 0.073477 0.030432 0.005746 8C 2pz 1.309233 -0.590669 0.561294 -0.273936 -0.011515 0.387184 8C 2px 0.695283 -0.351408 0.149568 0.087971 0.095619 0.083874 8C 2py -1.015099 0.370462 -0.752449 0.513095 0.198375 -0.644771 8C 3pz -0.035173 -0.020320 0.079116 -0.310377 -0.281370 0.063392 8C 3px -0.000145 -0.022326 -0.112510 -0.167821 -0.074971 0.135976 8C 3py 0.205949 -0.089619 -0.030897 0.454770 0.406597 -0.177994 8C 1dz2 0.116299 0.014931 0.055596 -0.074704 0.061092 0.069961 8C 1dxz -0.062516 0.043915 0.031288 -0.027351 -0.014545 -0.033570 8C 1dyz 0.033508 0.002754 0.022811 -0.050258 -0.010964 0.044610 8C 1dx2y2 -0.041264 0.010530 -0.056297 0.008266 -0.000458 0.006925 8C 1dxy -0.103612 0.054550 0.004348 -0.012716 -0.037200 -0.046175 8C 2dz2 -0.346377 0.184511 -0.011385 -0.024773 -0.101326 -0.004957 8C 2dxz 0.114918 -0.140926 -0.321766 0.313144 0.235777 -0.023880 8C 2dyz 0.100876 0.045803 0.050483 -0.138506 -0.008004 0.204601 8C 2dx2y2 0.648014 -0.313073 0.269523 -0.215681 -0.094730 0.225828 8C 2dxy 0.640388 -0.310753 0.159032 -0.052248 0.001346 0.126587 8C 1f0 -0.032743 -0.076419 -0.040571 0.173632 0.040860 -0.127965 8C 1f+1 -0.007085 0.006643 -0.020424 -0.006026 0.004799 0.037720 8C 1f-1 0.122381 -0.104472 0.081895 0.051290 0.007924 -0.023924 8C 1f+2 -0.028104 0.008432 0.062087 -0.071867 -0.103646 0.015392 8C 1f-2 0.018207 -0.067670 -0.113739 0.085586 0.016174 -0.056702 8C 1f+3 0.052046 -0.022833 0.053516 -0.069359 -0.076188 -0.015561 8C 1f-3 -0.089617 0.089880 0.088478 -0.014965 0.000815 0.009290 9C 1s 0.000369 -0.004080 -0.002805 -0.017810 0.018428 -0.004257 9C 2s 0.001944 -0.008502 -0.009902 -0.048304 0.050559 -0.011619 9C 3s -0.232571 -0.105624 0.216437 0.023806 0.120017 -0.082369 9C 4s 1.025015 0.781757 -0.993978 0.767031 -1.734742 0.618357 9C 5s 1.088019 -1.103388 0.483671 -2.541256 2.801415 -0.407170 9C 1pz 0.051780 0.047628 -0.043269 0.024935 -0.030515 0.040650 9C 1px 0.007352 0.042595 -0.008623 0.027490 -0.009772 0.006590 9C 1py 0.091577 0.055798 -0.042043 0.020259 -0.017331 -0.017495 9C 2pz -0.330964 0.113144 0.748252 0.762347 -0.311450 -0.096278 9C 2px -0.037193 -0.099112 0.000297 -0.056262 0.070780 -0.051184 9C 2py -0.630829 -0.430869 0.426965 0.445319 -0.087818 0.062830 9C 3pz -0.275585 0.244216 -0.010208 0.498704 -0.426367 -0.016282 9C 3px -0.089413 0.081835 -0.142041 -0.021907 -0.031943 0.102188 9C 3py -0.295413 0.096798 -0.079873 0.306050 -0.301510 0.005248 9C 1dz2 0.023399 0.022183 -0.008402 0.017827 0.011849 -0.103613 9C 1dxz -0.045799 -0.046656 0.022716 -0.010766 -0.015630 0.070970 9C 1dyz -0.014334 -0.066875 -0.003797 -0.066290 0.003071 0.070946 9C 1dx2y2 0.026397 -0.107328 -0.028200 -0.097820 -0.016413 0.094523 9C 1dxy 0.139795 -0.015755 -0.031141 -0.062111 -0.007886 -0.048350 9C 2dz2 0.038343 -0.076209 -0.174753 -0.267670 0.126782 0.036678 9C 2dxz 0.257296 0.255762 -0.225162 -0.204942 0.097350 -0.091860 9C 2dyz 0.228545 0.104004 -0.108695 -0.171804 0.071168 -0.082251 9C 2dx2y2 0.042167 0.243723 0.284800 0.385340 -0.171414 -0.174208 9C 2dxy -0.345400 -0.342454 -0.069017 -0.033499 0.046638 0.202181 9C 1f0 -0.068134 -0.108804 -0.066368 -0.062169 0.021903 0.037970 9C 1f+1 0.022470 -0.064939 0.061003 0.070130 -0.054976 -0.058766 9C 1f-1 -0.019608 0.062770 -0.031122 0.089338 0.006956 -0.027121 9C 1f+2 -0.033774 -0.082325 -0.025121 0.008070 -0.016298 -0.036416 9C 1f-2 -0.060461 0.021990 0.127925 0.049419 -0.011007 -0.003202 9C 1f+3 0.000544 0.109159 0.090756 0.146420 -0.110569 0.062628 9C 1f-3 0.040328 0.005078 -0.003035 0.013584 -0.044503 0.060539 10H 1s -0.020592 0.003229 0.052829 -0.024138 -0.026007 -0.040073 10H 2s 0.083810 -0.291678 0.366593 -0.890069 0.785705 0.033652 10H 3s 0.043908 0.160018 0.073264 0.268489 -0.358835 -0.098319 10H 1pz 0.085308 -0.179721 0.122662 -0.299807 0.253046 -0.041455 10H 1px -0.007905 0.038643 -0.076287 0.267717 -0.290598 -0.063017 10H 1py -0.091318 0.024874 0.067370 -0.127245 0.115553 0.076734 11H 1s 0.083228 -0.042521 -0.032452 0.072422 -0.054484 -0.055145 11H 2s 0.437694 -0.563465 -0.028536 -0.520196 0.609786 0.002264 11H 3s -0.016148 0.129968 0.013229 0.298048 -0.412114 -0.019450 11H 1pz 0.174242 -0.281726 -0.015226 -0.213037 0.204538 0.007176 11H 1px 0.039391 -0.114789 -0.011445 -0.152611 0.207487 0.082598 11H 1py 0.017189 0.014031 -0.061419 0.161911 -0.154298 0.014070 12H 1s -0.121395 0.119105 -0.019349 0.079691 -0.038684 0.083433 12H 2s -0.162453 0.268405 -0.122836 -0.460189 0.491729 0.267952 12H 3s -0.004782 0.058859 0.003042 0.290707 -0.368204 -0.057432 12H 1pz -0.049770 0.076224 -0.104162 0.099876 -0.096744 -0.001754 12H 1px 0.031958 0.005419 -0.072573 -0.058598 0.098179 0.037409 12H 1py -0.053935 0.058981 -0.046912 -0.258648 0.240769 0.060964 13H 1s 0.028045 0.032594 0.069280 -0.002399 -0.023550 -0.020852 13H 2s 0.169491 -0.064552 0.205881 0.879854 0.848394 0.324678 13H 3s 0.045372 0.080661 0.108265 -0.307220 -0.368177 -0.164646 13H 1pz 0.156962 0.037049 0.056992 0.295793 0.274590 0.166036 13H 1px 0.009777 0.026628 0.016399 -0.198064 -0.241664 -0.075311 13H 1py 0.106533 0.105213 -0.069230 -0.246089 -0.213974 -0.049895 14H 1s 0.161747 0.095007 0.006972 -0.072255 -0.072245 0.042770 14H 2s 0.535049 0.284657 -0.261313 0.403133 0.441804 0.235713 14H 3s 0.055196 0.030293 0.041332 -0.256101 -0.378757 -0.105688 14H 1pz 0.153546 0.084751 -0.039495 0.141784 0.140516 0.040628 14H 1px 0.089787 0.041749 -0.142198 0.186636 0.230802 0.095313 14H 1py -0.025817 -0.031461 0.093591 0.088591 0.092331 0.072125 15H 1s -0.117301 -0.057000 -0.028710 -0.080883 -0.033456 -0.048042 15H 2s -0.653193 -0.476505 -0.259866 0.663357 0.673652 0.262993 15H 3s 0.124909 0.066831 0.065589 -0.310479 -0.434580 -0.092083 15H 1pz -0.061827 -0.010072 -0.008805 -0.193079 -0.211402 -0.123624 15H 1px -0.052244 -0.058800 -0.058401 0.056099 0.039329 0.076194 15H 1py 0.315965 0.259412 0.117859 -0.312104 -0.270962 -0.126077 16H 1s 0.006052 0.019626 0.016546 0.015268 -0.007472 0.007935 16H 2s -0.001460 -0.293447 0.060966 0.056030 0.176943 -0.075970 16H 3s 0.023472 0.030505 -0.091339 0.012535 -0.090777 0.040199 16H 1pz 0.011128 -0.118175 0.037817 0.023994 0.072394 -0.028501 16H 1px 0.002809 -0.014153 -0.014918 0.011554 0.026271 0.015101 16H 1py 0.010163 -0.014783 -0.006065 0.000292 0.001420 -0.001776 17H 1s -0.010907 0.011770 0.012393 -0.006788 -0.000338 -0.013180 17H 2s 0.012474 -0.268654 0.072294 0.024733 0.168536 -0.016899 17H 3s 0.018955 0.020990 -0.083057 -0.004606 -0.079284 0.018305 17H 1pz 0.011589 0.089496 -0.018588 -0.020948 -0.063982 0.011532 17H 1px -0.013685 0.055740 -0.046629 -0.002834 -0.019671 0.006378 17H 1py -0.001191 -0.030020 0.003660 -0.005610 0.015165 0.006558 18H 1s 0.010597 0.011865 -0.012162 -0.007728 0.000674 0.012967 18H 2s -0.012004 -0.268912 -0.072717 0.022277 0.165228 0.001965 18H 3s -0.020419 0.021199 0.082471 -0.001995 -0.080011 -0.012775 18H 1pz 0.012181 -0.090737 -0.019518 0.019390 0.063924 0.007206 18H 1px -0.014125 -0.055966 -0.047460 0.001723 0.019236 0.004329 18H 1py -0.000678 0.027688 0.003155 0.005817 -0.012409 0.008107 19H 1s -0.005904 0.019064 -0.016888 0.015167 -0.008022 -0.006078 19H 2s 0.006936 -0.296212 -0.061357 0.050577 0.180251 0.063226 19H 3s -0.022910 0.030214 0.090303 0.016576 -0.092662 -0.031700 19H 1pz 0.008500 0.118994 0.037395 -0.021550 -0.073102 -0.022664 19H 1px 0.002417 0.013898 -0.015855 -0.011807 -0.024172 0.016443 19H 1py 0.009368 0.018594 -0.004658 -0.000704 -0.003513 -0.002810 20H 1s 0.117445 -0.055232 0.031290 -0.081913 -0.030077 0.049353 20H 2s 0.654350 -0.446507 0.241231 0.673401 0.642147 -0.314606 20H 3s -0.126154 0.060497 -0.057676 -0.314233 -0.424331 0.124637 20H 1pz -0.060544 0.010557 -0.014633 0.197612 0.201285 -0.139076 20H 1px -0.052181 0.054682 -0.057802 -0.059540 -0.033451 0.076342 20H 1py 0.317066 -0.245777 0.109142 0.316315 0.255319 -0.146508 21H 1s -0.163558 0.091625 -0.005037 -0.072088 -0.074821 -0.034094 21H 2s -0.539678 0.281375 0.245137 0.419390 0.419275 -0.273078 21H 3s -0.054972 0.028288 -0.034373 -0.259425 -0.368876 0.137702 21H 1pz 0.154255 -0.082209 -0.034905 -0.147163 -0.138210 0.055907 21H 1px 0.090309 -0.043314 -0.135261 -0.192178 -0.219423 0.114493 21H 1py -0.028126 0.031611 0.095002 -0.089750 -0.087644 0.078286 22H 1s -0.026823 0.028755 -0.069262 -0.002850 -0.020256 0.020746 22H 2s -0.156890 -0.060135 -0.226067 0.889189 0.820903 -0.387348 22H 3s -0.049081 0.076573 -0.101695 -0.312275 -0.351406 0.189542 22H 1pz 0.154811 -0.037814 0.064082 -0.298093 -0.258947 0.182334 22H 1px 0.010373 -0.022579 0.011369 0.201854 0.234732 -0.095195 22H 1py 0.110852 -0.102048 -0.074269 0.248101 0.211131 -0.066375 23H 1s 0.121384 0.116193 0.016166 0.079385 -0.044042 -0.080311 23H 2s 0.166330 0.254999 0.136179 -0.454614 0.472915 -0.314127 23H 3s 0.004237 0.055348 -0.014180 0.287920 -0.363144 0.091237 23H 1pz -0.051822 -0.077293 -0.099613 -0.102881 0.097506 -0.009878 23H 1px 0.031376 -0.006377 -0.074269 0.050250 -0.090313 0.042911 23H 1py -0.055996 -0.054566 -0.056260 0.256856 -0.237681 0.084871 24H 1s -0.083989 -0.040325 0.030504 0.073780 -0.051335 0.062200 24H 2s -0.435563 -0.538004 0.047766 -0.499587 0.597892 -0.059541 24H 3s 0.014911 0.122698 -0.024342 0.293327 -0.407120 0.056006 24H 1pz 0.172149 0.268956 -0.022716 0.203378 -0.198700 0.028218 24H 1px 0.039942 0.110347 -0.017558 0.149376 -0.201346 0.101780 24H 1py 0.017309 -0.015675 -0.056553 -0.162810 0.153878 0.000676 25H 1s 0.019866 -0.000455 -0.052259 -0.028656 -0.020908 0.041558 25H 2s -0.090310 -0.293659 -0.331814 -0.895304 0.782870 -0.109077 25H 3s -0.042914 0.151373 -0.085540 0.260059 -0.347221 0.129292 25H 1pz 0.087720 0.176905 0.110424 0.302816 -0.257168 -0.018195 25H 1px -0.007866 -0.037532 -0.065937 -0.265780 0.284159 -0.091364 25H 1py -0.091221 -0.022637 0.062413 0.127237 -0.107631 0.086377 26O 1s 0.002221 0.003273 0.016494 -0.006745 0.014461 -0.009400 26O 2s 0.008509 0.010183 0.056947 -0.023487 0.051655 -0.031971 26O 3s -0.016684 0.007932 -0.350271 0.164730 -0.335981 0.222155 26O 4s -0.203184 -0.379842 0.091416 -0.163009 0.391625 -0.267017 26O 5s -0.924418 -0.807884 -0.410878 0.908512 -1.912783 -0.077749 26O 1pz 0.053341 -0.028843 -0.087535 0.012997 0.013405 -0.035008 26O 1px -0.082138 -0.163127 -0.215713 0.028957 -0.198581 0.027270 26O 1py -0.125632 0.068902 -0.132097 0.058566 -0.060793 0.136732 26O 2pz -0.039741 0.100815 0.131318 -0.056767 0.035010 0.051147 26O 2px 0.376887 0.588388 0.589577 -0.134957 0.574320 -0.087337 26O 2py 0.266730 0.000240 0.356608 -0.171575 0.275614 -0.154132 26O 3pz 0.170215 0.213958 -0.352391 0.422130 -0.385647 0.057373 26O 3px 0.336591 0.308353 -0.562125 -0.180447 0.226863 0.273110 26O 3py 0.108189 0.236587 -0.329085 0.167124 0.036212 0.388184 26O 1dz2 0.005062 0.000767 0.007307 -0.001793 0.000327 -0.003192 26O 1dxz -0.001052 0.000555 -0.001499 0.003438 -0.001902 0.000946 26O 1dyz -0.003818 -0.000763 -0.002719 0.002968 -0.006579 0.001177 26O 1dx2y2 -0.006094 -0.009655 -0.009724 -0.001651 -0.007142 -0.000311 26O 1dxy -0.010165 -0.004376 -0.013051 0.003415 -0.011053 0.000649 26O 2dz2 0.043724 0.035153 0.037000 0.010362 0.020926 -0.025425 26O 2dxz 0.056714 -0.030379 0.056871 -0.033834 0.066232 0.000472 26O 2dyz -0.047285 0.010532 0.030327 0.008793 -0.024415 -0.013946 26O 2dx2y2 -0.035181 -0.179869 -0.004130 -0.040420 -0.062002 0.018893 26O 2dxy -0.055678 -0.047324 -0.038261 -0.001280 -0.095395 -0.051773 26O 1f0 -0.020395 -0.001976 0.004690 0.005730 -0.007092 0.002056 26O 1f+1 -0.003728 -0.003435 -0.007705 -0.000122 -0.006223 -0.005245 26O 1f-1 0.008921 -0.003988 -0.003483 -0.002648 -0.005175 -0.017461 26O 1f+2 0.023869 0.002144 -0.009716 -0.002450 0.003178 -0.014077 26O 1f-2 0.013084 0.011383 -0.007570 -0.006156 0.007404 -0.001118 26O 1f+3 -0.027841 0.000770 0.013935 -0.004979 0.024817 0.043587 26O 1f-3 -0.005823 -0.015731 -0.011633 0.003800 -0.017647 -0.017028 27O 1s 0.005113 0.003076 0.016581 0.005033 0.016566 -0.011317 27O 2s 0.015403 0.009514 0.056650 0.018611 0.058674 -0.039001 27O 3s -0.047944 0.005804 -0.365889 -0.163199 -0.375097 0.216396 27O 4s -0.299982 -0.337461 0.214158 0.361682 0.358342 -0.025465 27O 5s -0.262019 -1.045308 0.123984 -0.655119 -1.941933 1.233177 27O 1pz 0.096241 0.113556 -0.035790 -0.045036 0.002540 0.034975 27O 1px -0.048464 -0.105719 -0.187208 -0.010356 -0.244447 0.195383 27O 1py 0.081500 -0.009920 0.133749 0.021943 0.013154 0.051757 27O 2pz -0.114476 -0.193970 0.072529 0.150297 0.023010 0.040305 27O 2px 0.294631 0.520080 0.456057 -0.004678 0.738455 -0.638768 27O 2py -0.189524 -0.111167 -0.198288 -0.037535 -0.106930 0.007963 27O 3pz 0.014095 -0.049841 -0.008911 -0.144995 -0.180519 0.207095 27O 3px 0.135559 0.189580 -0.737800 -0.075811 0.300060 -0.063492 27O 3py -0.089796 -0.019708 0.512464 0.557258 0.297814 0.190046 27O 1dz2 0.000058 0.006206 0.007855 0.002045 0.009118 -0.004647 27O 1dxz 0.004708 0.002703 0.000017 -0.004888 -0.001051 -0.001490 27O 1dyz -0.003726 0.002306 0.000393 0.001961 0.005795 -0.005955 27O 1dx2y2 -0.004041 -0.000819 -0.009103 0.001020 -0.009974 0.009300 27O 1dxy -0.001238 0.001140 0.002037 0.003985 0.006314 -0.007454 27O 2dz2 0.036484 0.097970 -0.000294 -0.017889 0.064110 -0.045727 27O 2dxz 0.096765 0.083305 -0.023718 -0.094926 0.013180 -0.100618 27O 2dyz -0.084112 -0.009775 -0.025470 0.053548 0.048859 -0.026118 27O 2dx2y2 -0.035507 -0.060228 -0.027009 0.053769 -0.119582 0.086102 27O 2dxy 0.007105 0.056003 -0.060373 -0.033598 -0.051074 -0.055678 27O 1f0 -0.021733 -0.008143 -0.008190 -0.019432 -0.010352 -0.020302 27O 1f+1 -0.009780 -0.013651 -0.002255 -0.000800 -0.011204 0.006641 27O 1f-1 0.003964 0.007795 -0.009075 -0.004672 0.003785 -0.009223 27O 1f+2 0.029512 0.005406 0.005802 0.017810 0.007687 0.036109 27O 1f-2 -0.019840 -0.010455 -0.006319 -0.005832 -0.000978 -0.014958 27O 1f+3 -0.012909 -0.003795 -0.014671 -0.005236 -0.002548 -0.011246 27O 1f-3 -0.000032 0.009667 -0.020558 -0.004167 0.014924 -0.020564 28O 1s 0.005067 -0.003620 -0.009789 -0.011743 0.020814 0.007127 28O 2s 0.017573 -0.013053 -0.035296 -0.040640 0.072356 0.024567 28O 3s -0.068652 0.176866 0.229810 0.328767 -0.486135 -0.123899 28O 4s -0.201370 -0.750647 -0.126027 -0.874386 0.744256 -0.151364 28O 5s -0.629165 -0.615169 0.084179 0.944150 -1.949122 -0.630293 28O 1pz -0.143133 -0.010093 0.209414 -0.054430 -0.074416 -0.033100 28O 1px 0.058161 0.154516 -0.094472 -0.004022 0.198525 0.170503 28O 1py 0.055999 -0.090767 0.069203 -0.053418 0.028221 -0.149485 28O 2pz 0.398297 0.243763 -0.372476 0.113778 0.302890 0.235656 28O 2px -0.302308 -0.601051 0.303024 -0.162882 -0.446127 -0.486593 28O 2py -0.067700 0.259086 -0.130610 0.066938 -0.022393 0.223830 28O 3pz 0.103062 -0.029096 0.690915 0.103748 0.109821 0.078478 28O 3px -0.155664 -0.116654 -0.291170 0.155103 -0.328535 0.129684 28O 3py 0.069077 0.070585 0.082317 0.172191 -0.169676 -0.386359 28O 1dz2 -0.003570 -0.001282 0.004526 0.000392 -0.000141 0.001495 28O 1dxz 0.010165 0.003914 -0.011345 0.003513 0.008475 0.011073 28O 1dyz -0.002854 -0.004521 0.007016 0.001724 -0.004364 -0.004581 28O 1dx2y2 -0.004456 -0.007516 0.009188 -0.001751 -0.005165 -0.001214 28O 1dxy -0.002082 0.003747 -0.001818 0.001903 -0.002398 0.000518 28O 2dz2 0.023923 0.077630 -0.032672 0.069300 0.027488 0.048524 28O 2dxz 0.039705 0.036800 0.027936 -0.021308 0.117710 0.072884 28O 2dyz 0.020441 -0.037623 0.046951 0.049008 -0.011806 0.039422 28O 2dx2y2 -0.093276 -0.108713 0.038185 -0.015613 -0.112195 -0.020218 28O 2dxy -0.068119 0.050313 -0.024778 0.016231 -0.054267 -0.070475 28O 1f0 -0.013537 -0.011444 0.021969 -0.014079 0.018062 0.020912 28O 1f+1 -0.012345 0.007577 -0.020351 0.013375 -0.028146 -0.022431 28O 1f-1 0.011321 0.010358 -0.000243 -0.006976 0.006732 -0.002962 28O 1f+2 0.007077 0.010419 -0.002577 0.014079 -0.001110 0.009219 28O 1f-2 -0.013258 -0.027760 -0.002479 0.005093 0.001975 0.022377 28O 1f+3 -0.007983 0.015743 -0.007464 0.016756 -0.008657 0.012044 28O 1f-3 -0.008917 -0.018510 0.008928 0.007968 -0.002341 0.010001 29O 1s -0.000025 -0.013394 -0.001508 0.001298 0.013547 0.000747 29O 2s -0.000421 -0.044354 -0.004348 0.004212 0.046049 0.002167 29O 3s 0.009788 0.258506 0.017471 -0.023201 -0.300616 -0.009399 29O 4s -0.048899 -0.309106 0.168899 0.034674 0.463713 -0.073091 29O 5s 0.092443 0.593607 -0.879383 -0.110078 -0.623139 0.402977 29O 1pz 0.009429 0.032860 0.044589 -0.005436 -0.038682 -0.015491 29O 1px 0.002514 -0.084792 -0.155738 0.011386 0.090327 0.068678 29O 1py 0.009651 0.020702 -0.104011 -0.002462 -0.051308 0.039304 29O 2pz -0.005067 -0.097202 -0.060422 0.014482 0.096614 0.000551 29O 2px -0.001300 0.209847 0.212912 -0.029861 -0.203267 -0.101637 29O 2py -0.009924 -0.119881 0.210472 0.013734 0.134700 -0.078339 29O 3pz 0.012823 0.012753 -0.085860 0.066693 -0.078597 0.046007 29O 3px -0.048687 -0.082946 0.266839 0.031685 0.190971 -0.095283 29O 3py -0.009476 -0.158314 -0.053724 0.037476 0.055453 -0.025141 29O 1dz2 -0.000835 -0.001756 0.002266 0.001985 0.001116 -0.000994 29O 1dxz 0.001697 -0.001702 0.003743 -0.001846 0.001926 -0.001178 29O 1dyz 0.000956 -0.001132 -0.000642 -0.000394 0.000899 -0.001240 29O 1dx2y2 0.001088 0.001516 -0.003705 -0.000291 -0.000676 0.000675 29O 1dxy 0.000182 0.002597 0.000499 -0.001564 -0.001188 0.000570 29O 2dz2 -0.020456 0.018531 0.012415 0.003253 -0.000009 -0.005580 29O 2dxz 0.009763 0.013167 0.023575 -0.001138 0.005350 -0.009180 29O 2dyz 0.000654 0.017572 -0.000504 -0.019665 -0.013333 -0.001266 29O 2dx2y2 0.013426 -0.012879 -0.038839 0.003769 0.001734 0.011392 29O 2dxy 0.000550 -0.047165 0.006350 0.005007 0.037560 0.004115 29O 1f0 0.000283 -0.006744 -0.000479 -0.000584 0.003070 -0.000141 29O 1f+1 -0.001382 0.002845 -0.000814 0.000593 -0.001148 0.001202 29O 1f-1 -0.000154 -0.007942 -0.001933 -0.001065 0.004428 -0.001352 29O 1f+2 0.000102 0.001003 0.001204 -0.000969 0.000502 -0.000101 29O 1f-2 0.001496 -0.005285 -0.000775 0.002989 0.002953 0.001588 29O 1f+3 -0.001255 -0.001878 0.002731 0.000759 0.001491 -0.001193 29O 1f-3 -0.000381 0.000338 -0.002477 -0.000202 0.000781 -0.000513 30O 1s 0.006702 0.002292 -0.009107 0.009706 0.018238 0.011594 30O 2s 0.021482 0.006459 -0.033088 0.033423 0.064099 0.039847 30O 3s -0.090022 0.044111 0.190641 -0.284097 -0.447438 -0.305863 30O 4s -0.259979 -0.560280 0.075853 0.805132 0.825677 0.572862 30O 5s -0.453709 -0.866092 0.415373 -0.757620 -1.867795 0.080668 30O 1pz -0.180566 -0.140008 0.153659 0.076936 -0.027069 -0.109641 30O 1px 0.053259 0.082283 -0.108022 -0.007157 0.182559 0.036336 30O 1py -0.022293 0.013309 -0.197722 -0.049836 0.037475 -0.047145 30O 2pz 0.462543 0.491289 -0.407729 -0.250109 0.114790 0.054694 30O 2px -0.239157 -0.405410 0.391233 0.173066 -0.347145 0.000458 30O 2py -0.088422 -0.212162 0.416463 0.096448 -0.180978 0.124451 30O 3pz -0.097182 0.161984 0.306999 -0.073311 0.048054 -0.487612 30O 3px -0.021531 -0.205924 -0.174640 -0.287511 -0.301479 0.202859 30O 3py -0.066739 -0.023056 -0.561830 -0.032012 0.000368 0.028295 30O 1dz2 -0.003258 0.001873 -0.002988 -0.001354 0.004666 -0.003258 30O 1dxz 0.007933 0.008925 -0.011955 -0.005797 0.003610 -0.002030 30O 1dyz 0.001084 0.003670 -0.014868 -0.000428 0.007436 0.001418 30O 1dx2y2 -0.004167 -0.001244 0.001408 0.000912 -0.002688 -0.003526 30O 1dxy -0.003134 -0.001145 0.008576 0.001841 -0.002760 -0.004501 30O 2dz2 -0.051119 -0.007524 0.005901 0.030362 0.069108 0.007930 30O 2dxz 0.060685 0.120067 -0.052162 -0.048125 0.076989 -0.060924 30O 2dyz -0.005822 0.027310 -0.023475 0.040969 0.072677 -0.023207 30O 2dx2y2 -0.067107 -0.069220 0.072474 0.036888 -0.070740 -0.010914 30O 2dxy -0.026484 -0.013227 -0.042337 -0.021537 -0.051261 -0.071134 30O 1f0 -0.013668 -0.012895 0.004199 0.001119 -0.001478 -0.003749 30O 1f+1 -0.009131 -0.019933 0.013535 0.013623 -0.007895 0.027430 30O 1f-1 -0.004041 -0.017989 0.008067 0.015914 -0.001591 0.031337 30O 1f+2 0.003196 0.007961 -0.008720 -0.026344 -0.021433 -0.008240 30O 1f-2 0.011313 0.018297 -0.000235 -0.008043 0.006366 -0.015398 30O 1f+3 -0.011218 0.004603 -0.010109 -0.023194 -0.020568 -0.015300 30O 1f-3 -0.012428 -0.005860 -0.012918 -0.006551 -0.005559 -0.003755 31O 1s -0.006559 0.002406 0.008846 0.010455 0.017335 -0.012962 31O 2s -0.021025 0.006925 0.032195 0.036018 0.060959 -0.044706 31O 3s 0.086139 0.041462 -0.183475 -0.301044 -0.423630 0.340736 31O 4s 0.270713 -0.558657 -0.092328 0.819678 0.783719 -0.643104 31O 5s 0.444212 -0.900916 -0.397922 -0.777198 -1.862621 0.048746 31O 1pz -0.185377 0.141481 0.154208 -0.069749 0.016999 -0.110095 31O 1px 0.053566 -0.085333 -0.108835 0.002290 -0.178883 0.048214 31O 1py -0.022120 -0.016807 -0.198437 0.044754 -0.039599 -0.039913 31O 2pz 0.473170 -0.494587 -0.409918 0.235003 -0.107329 0.063243 31O 2px -0.242432 0.415917 0.395692 -0.159788 0.343179 -0.017575 31O 2py -0.087827 0.221614 0.418123 -0.084514 0.186732 0.107474 31O 3pz -0.097554 -0.165752 0.308624 0.090388 -0.088306 -0.474487 31O 3px -0.017638 0.216395 -0.184399 0.279827 0.312891 0.185768 31O 3py -0.065795 0.029068 -0.561623 0.018152 0.002539 0.047377 31O 1dz2 0.003301 0.002036 0.003046 -0.001290 0.004866 0.002690 31O 1dxz -0.008114 0.009092 0.012034 -0.005388 0.003684 0.001625 31O 1dyz -0.001224 0.004078 0.014821 -0.000025 0.007135 -0.001990 31O 1dx2y2 0.004221 -0.001215 -0.001399 0.000700 -0.002397 0.003690 31O 1dxy 0.003207 -0.001418 -0.008582 0.001467 -0.002304 0.004636 31O 2dz2 0.052943 -0.004485 -0.005063 0.030923 0.067810 -0.011241 31O 2dxz -0.062400 0.120714 0.052298 -0.046939 0.081882 0.052274 31O 2dyz 0.005905 0.028477 0.022287 0.041222 0.074046 0.016559 31O 2dx2y2 0.069783 -0.073241 -0.072655 0.033887 -0.068935 0.014295 31O 2dxy 0.024990 -0.013529 0.042083 -0.023152 -0.045846 0.071197 31O 1f0 -0.013749 0.013303 0.004227 -0.000919 0.001043 -0.003069 31O 1f+1 -0.009528 0.019432 0.013647 -0.013550 0.010191 0.024924 31O 1f-1 -0.004271 0.017368 0.008209 -0.016071 0.004343 0.029451 31O 1f+2 0.003674 -0.007393 -0.009225 0.026527 0.020821 -0.009379 31O 1f-2 0.011447 -0.018423 -0.000356 0.008145 -0.007561 -0.014629 31O 1f+3 -0.011073 -0.003939 -0.010582 0.023523 0.019257 -0.016023 31O 1f-3 -0.012420 0.005348 -0.013146 0.006490 0.005472 -0.004439 32O 1s 0.000187 -0.013457 0.001509 0.001345 0.013219 -0.001804 32O 2s 0.000953 -0.044556 0.004364 0.004344 0.044971 -0.005774 32O 3s -0.012867 0.259557 -0.017831 -0.023750 -0.294155 0.033117 32O 4s 0.052476 -0.310875 -0.167830 0.027872 0.461566 0.036249 32O 5s -0.098904 0.600708 0.879850 -0.073283 -0.645002 -0.353792 32O 1pz 0.009130 -0.031627 0.046310 0.006634 0.034773 -0.018856 32O 1px 0.000769 0.085088 -0.156180 -0.017156 -0.083164 0.074272 32O 1py 0.009862 -0.020551 -0.104221 -0.000965 0.053833 0.034939 32O 2pz -0.006622 0.093555 -0.065057 -0.014559 -0.090154 0.009570 32O 2px 0.001823 -0.211706 0.212801 0.037831 0.191639 -0.114620 32O 2py -0.011026 0.120911 0.211219 -0.006541 -0.138952 -0.067495 32O 3pz 0.009191 -0.012581 -0.081535 -0.069179 0.078648 0.031321 32O 3px -0.051467 0.084645 0.267271 -0.020964 -0.196088 -0.083346 32O 3py -0.010536 0.158777 -0.055031 -0.037990 -0.055946 -0.022419 32O 1dz2 0.000941 -0.001785 -0.002302 0.001871 0.001173 0.001065 32O 1dxz -0.001707 -0.001721 -0.003707 -0.001945 0.001930 0.000799 32O 1dyz -0.000949 -0.001109 0.000664 -0.000409 0.000982 0.001061 32O 1dx2y2 -0.001101 0.001549 0.003740 -0.000118 -0.000699 -0.000676 32O 1dxy -0.000189 0.002509 -0.000511 -0.001595 -0.001211 -0.000612 32O 2dz2 0.019877 0.018589 -0.012124 0.003387 0.001119 0.006162 32O 2dxz -0.009562 0.013734 -0.022711 -0.002108 0.005144 0.008116 32O 2dyz -0.001766 0.018811 0.000625 -0.019305 -0.013102 0.000931 32O 2dx2y2 -0.013304 -0.012306 0.039162 0.005685 0.000546 -0.011784 32O 2dxy -0.000398 -0.047769 -0.006417 0.004844 0.036311 -0.007598 32O 1f0 0.000277 0.006236 -0.000460 0.000536 -0.002712 0.000336 32O 1f+1 -0.001415 -0.003172 -0.000862 -0.000543 0.001390 0.000913 32O 1f-1 -0.000253 0.008288 -0.001952 0.001117 -0.004669 -0.000910 32O 1f+2 0.000122 -0.001389 0.001139 0.001027 -0.000300 0.000034 32O 1f-2 0.001451 0.005069 -0.000754 -0.003041 -0.002640 0.001747 32O 1f+3 -0.001235 0.002025 0.002744 -0.000661 -0.001606 -0.001009 32O 1f-3 -0.000352 -0.000348 -0.002477 0.000121 -0.000858 -0.000470 33O 1s -0.005224 -0.003799 0.010176 -0.011386 0.020314 -0.008795 33O 2s -0.018064 -0.013560 0.036629 -0.039308 0.070602 -0.030438 33O 3s 0.070603 0.177088 -0.240546 0.320584 -0.478155 0.166226 33O 4s 0.205864 -0.728831 0.155101 -0.873367 0.761200 0.066967 33O 5s 0.659641 -0.603255 -0.117920 0.923469 -1.883905 0.768798 33O 1pz -0.143291 0.009421 0.207777 0.065138 0.070326 -0.038416 33O 1px 0.060077 -0.151217 -0.094524 -0.000924 -0.183761 0.183372 33O 1py 0.057816 0.087234 0.065684 0.055130 -0.039126 -0.147773 33O 2pz 0.405355 -0.234198 -0.369195 -0.136415 -0.279305 0.252332 33O 2px -0.310469 0.585647 0.297221 0.179202 0.402698 -0.505435 33O 2py -0.070042 -0.248443 -0.124450 -0.068397 0.037294 0.221666 33O 3pz 0.102511 0.035697 0.686004 -0.082583 -0.103356 0.074069 33O 3px -0.160917 0.114113 -0.285044 -0.163117 0.335613 0.115910 33O 3py 0.063824 -0.070883 0.088925 -0.164203 0.137927 -0.407814 33O 1dz2 0.003637 -0.001508 -0.004537 0.000162 -0.000129 -0.001545 33O 1dxz -0.010155 0.003791 0.011248 0.004213 0.007456 -0.011595 33O 1dyz 0.002883 -0.004647 -0.007012 0.001367 -0.003883 0.004953 33O 1dx2y2 0.004428 -0.007315 -0.009066 -0.002026 -0.005033 0.001632 33O 1dxy 0.002092 0.003600 0.001721 0.001897 -0.002374 -0.000250 33O 2dz2 -0.022123 0.075385 0.029560 0.070470 0.023918 -0.048162 33O 2dxz -0.041642 0.034415 -0.026567 -0.021250 0.111702 -0.080468 33O 2dyz -0.021169 -0.038892 -0.047067 0.048684 -0.014630 -0.036969 33O 2dx2y2 0.094007 -0.107092 -0.037741 -0.017414 -0.109555 0.026425 33O 2dxy 0.069574 0.047750 0.022794 0.013710 -0.047207 0.075993 33O 1f0 -0.013455 0.011165 0.021277 0.014335 -0.016253 0.023019 33O 1f+1 -0.012722 -0.007573 -0.019732 -0.013304 0.026135 -0.025219 33O 1f-1 0.011555 -0.009976 -0.000418 0.007009 -0.007006 -0.002606 33O 1f+2 0.007185 -0.010190 -0.002110 -0.014466 0.002096 0.008790 33O 1f-2 -0.013207 0.026264 -0.002589 -0.005863 0.000203 0.022862 33O 1f+3 -0.007999 -0.015451 -0.006827 -0.017008 0.009630 0.010972 33O 1f-3 -0.008729 0.017793 0.008971 -0.007964 0.003255 0.009770 34O 1s -0.005018 0.003069 -0.016771 0.004474 0.017452 0.009895 34O 2s -0.015107 0.009597 -0.057336 0.016670 0.061689 0.034030 34O 3s 0.045526 0.005296 0.371895 -0.150437 -0.390891 -0.185733 34O 4s 0.304448 -0.335251 -0.229768 0.348960 0.351304 0.003478 34O 5s 0.258486 -1.080987 -0.102123 -0.650216 -2.029709 -1.063663 34O 1pz 0.099935 -0.113893 -0.035044 0.043401 -0.000102 0.034981 34O 1px -0.049491 0.109011 -0.186946 0.003568 0.260068 0.173361 34O 1py 0.082891 0.009217 0.133624 -0.019403 -0.009608 0.048113 34O 2pz -0.122360 0.194420 0.072528 -0.149000 -0.018186 0.037061 34O 2px 0.297106 -0.529545 0.453295 0.020417 -0.791805 -0.570774 34O 2py -0.191606 0.112319 -0.198987 0.033823 0.109326 0.004709 34O 3pz 0.018546 0.046649 -0.014171 0.143891 0.198014 0.181852 34O 3px 0.139737 -0.205851 -0.742782 0.052356 -0.299307 -0.033390 34O 3py -0.100493 0.023608 0.525395 -0.544377 -0.286060 0.194577 34O 1dz2 -0.000137 0.006481 -0.007859 0.001704 0.009499 0.004087 34O 1dxz -0.004851 0.002682 0.000085 -0.004912 -0.000874 0.001603 34O 1dyz 0.003723 0.002539 -0.000417 0.001774 0.006200 0.005553 34O 1dx2y2 0.004136 -0.001139 0.008987 0.001299 -0.010686 -0.008375 34O 1dxy 0.001147 0.001424 -0.002123 0.003824 0.006855 0.006956 34O 2dz2 -0.037553 0.099343 0.000882 -0.019323 0.067339 0.041925 34O 2dxz -0.099748 0.081912 0.024975 -0.094770 0.022500 0.094361 34O 2dyz 0.084874 -0.005374 0.024369 0.052681 0.049552 0.024201 34O 2dx2y2 0.036336 -0.062063 0.024937 0.055182 -0.125721 -0.074290 34O 2dxy -0.007939 0.055357 0.060227 -0.033581 -0.046594 0.058817 34O 1f0 -0.021569 0.008390 -0.008599 0.019571 0.008508 -0.019681 34O 1f+1 -0.009807 0.013855 -0.002215 0.000823 0.011762 0.005636 34O 1f-1 0.004100 -0.007752 -0.009048 0.004519 -0.004559 -0.008361 34O 1f+2 0.029344 -0.005499 0.006105 -0.018413 -0.004667 0.034918 34O 1f-2 -0.019714 0.010189 -0.006355 0.006047 -0.000183 -0.014240 34O 1f+3 -0.012941 0.004088 -0.014501 0.005062 0.001728 -0.010292 34O 1f-3 0.000123 -0.010290 -0.020441 0.003632 -0.016481 -0.018492 35O 1s -0.002408 0.002867 -0.016338 -0.007470 0.015302 0.008073 35O 2s -0.009115 0.008907 -0.056367 -0.025938 0.054479 0.027283 35O 3s 0.019689 0.013945 0.346038 0.180261 -0.355348 -0.192085 35O 4s 0.204927 -0.371586 -0.087703 -0.170309 0.412370 0.238630 35O 5s 0.948732 -0.791659 0.380498 0.909095 -1.897320 0.240512 35O 1pz 0.054122 0.028919 -0.086622 -0.016742 -0.015314 -0.033093 35O 1px -0.082464 0.158611 -0.214963 -0.036054 0.201198 0.008897 35O 1py -0.128152 -0.068723 -0.128183 -0.062233 0.070114 0.131863 35O 2pz -0.039273 -0.097605 0.128792 0.063223 -0.032630 0.050195 35O 2px 0.382239 -0.571328 0.585433 0.153951 -0.582146 -0.033458 35O 2py 0.274917 0.003254 0.346329 0.179685 -0.284137 -0.130116 35O 3pz 0.166481 -0.207382 -0.332021 -0.433797 0.390102 0.024805 35O 3px 0.343141 -0.307994 -0.562646 0.154512 -0.199881 0.301585 35O 3py 0.108759 -0.242754 -0.323753 -0.188406 0.000856 0.400803 35O 1dz2 -0.005102 0.000587 -0.007263 -0.001979 0.000612 0.003044 35O 1dxz 0.000977 0.000542 0.001396 0.003506 -0.001979 -0.000716 35O 1dyz 0.003882 -0.000925 0.002577 0.002938 -0.006601 -0.000729 35O 1dx2y2 0.006100 -0.009511 0.009775 -0.001361 -0.007090 0.000909 35O 1dxy 0.010239 -0.004439 0.012787 0.003631 -0.010995 0.000291 35O 2dz2 -0.044917 0.033011 -0.037770 0.009951 0.022705 0.021848 35O 2dxz -0.056472 -0.029119 -0.055116 -0.033240 0.064776 -0.008631 35O 2dyz 0.048168 0.007800 -0.031287 0.006121 -0.022580 0.013162 35O 2dx2y2 0.034982 -0.175225 0.007354 -0.037833 -0.064628 -0.012916 35O 2dxy 0.057628 -0.049179 0.036918 -0.003849 -0.088423 0.059357 35O 1f0 -0.020658 0.001531 0.004800 -0.005435 0.007235 0.001859 35O 1f+1 -0.003761 0.003758 -0.007645 -0.000036 0.005764 -0.005796 35O 1f-1 0.008839 0.003968 -0.003432 0.002716 0.003772 -0.018036 35O 1f+2 0.023774 -0.001829 -0.009675 0.002092 -0.004229 -0.014464 35O 1f-2 0.013380 -0.010656 -0.007607 0.005960 -0.007488 -0.000820 35O 1f+3 -0.027585 -0.000832 0.013324 0.004774 -0.021139 0.046037 35O 1f-3 -0.006191 0.015304 -0.011223 -0.003769 0.016115 -0.018597 486 487 488 489 490 491 3.00923 3.00980 3.01263 3.01488 3.04921 3.05064 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s 0.000829 0.000974 0.000416 0.000837 0.001065 0.001821 0Rh 2s -0.005868 -0.006939 -0.001383 -0.005965 -0.008503 -0.007975 0Rh 3s 0.001348 0.001568 0.001627 0.001345 0.001160 0.005957 0Rh 4s 0.030732 0.037024 0.007254 0.031729 0.045145 0.042281 0Rh 5s -0.054636 -0.075296 -0.005416 -0.063079 -0.092088 -0.057441 0Rh 6s 0.000681 0.061461 -0.037064 0.041896 0.068728 -0.077742 0Rh 7s 0.177989 0.049065 0.260523 0.124144 0.008514 0.718726 0Rh 8s 0.071210 -0.065821 0.029395 -0.057042 -0.124493 -0.229840 0Rh 1pz 0.001017 -0.001030 0.001550 -0.003883 0.000055 0.001387 0Rh 1px 0.002135 -0.002122 0.002232 -0.003892 0.000860 0.006842 0Rh 1py 0.003277 -0.004621 -0.001932 0.000678 0.000881 0.003330 0Rh 2pz -0.004151 0.003277 -0.005718 0.014031 -0.000849 -0.005414 0Rh 2px -0.008228 0.007567 -0.008466 0.014249 -0.003640 -0.025657 0Rh 2py -0.012049 0.016555 0.007688 -0.002193 -0.003071 -0.012704 0Rh 3pz 0.015692 0.006077 0.007401 -0.013381 0.015151 0.015410 0Rh 3px 0.018763 -0.004318 0.016268 -0.016870 0.014680 0.042466 0Rh 3py 0.014864 -0.012610 -0.023827 -0.003014 0.000847 0.027005 0Rh 4pz -0.046255 -0.048227 0.015347 -0.048160 -0.060985 -0.035865 0Rh 4px -0.017302 -0.043603 -0.002393 -0.039972 -0.033488 0.025479 0Rh 4py 0.034248 -0.071103 0.052573 0.026564 0.017363 -0.023082 0Rh 5pz 0.144005 0.089526 -0.049764 0.100432 0.130395 0.107402 0Rh 5px 0.026731 0.115333 -0.016009 0.107096 0.054159 -0.128424 0Rh 5py -0.102746 0.151817 -0.148309 -0.044945 -0.031993 0.049822 0Rh 6pz -1.048925 -0.279815 0.592157 -0.216962 -0.764392 0.973444 0Rh 6px -0.116697 -0.761393 0.222335 -0.562092 -0.195829 0.991003 0Rh 6py 0.591318 -0.566385 0.967505 0.100674 0.409626 0.367558 0Rh 1dz2 -0.002131 -0.015150 0.000445 -0.008686 0.001177 0.003672 0Rh 1dxz 0.004763 0.020569 0.004950 0.020197 0.010332 0.017078 0Rh 1dyz 0.011892 -0.007696 -0.004117 0.010030 0.004352 0.001339 0Rh 1dx2y2 -0.001908 -0.004915 -0.002961 0.016374 -0.004526 -0.014671 0Rh 1dxy -0.006404 0.027935 -0.015378 -0.012137 -0.007025 -0.008103 0Rh 2dz2 0.000051 -0.002558 0.000245 -0.001368 -0.001291 -0.000867 0Rh 2dxz 0.000632 0.000507 0.000294 0.001104 0.000810 0.001187 0Rh 2dyz 0.001278 -0.000377 -0.000135 0.001481 -0.001657 0.000095 0Rh 2dx2y2 -0.000641 0.001840 -0.000026 0.003657 -0.000023 0.000133 0Rh 2dxy -0.001276 0.004133 -0.001073 -0.000370 -0.000418 -0.000177 0Rh 3dz2 0.006456 0.058750 -0.002513 0.033385 0.002170 -0.007767 0Rh 3dxz -0.017642 -0.066212 -0.016835 -0.067794 -0.036161 -0.059087 0Rh 3dyz -0.042565 0.025721 0.013255 -0.037994 -0.006011 -0.004669 0Rh 3dx2y2 0.008974 0.006925 0.009359 -0.067870 0.014491 0.045724 0Rh 3dxy 0.025770 -0.105836 0.052667 0.039544 0.024153 0.026342 0Rh 4dz2 -0.002667 -0.056010 0.004892 -0.032708 -0.016544 -0.003854 0Rh 4dxz 0.013717 0.029990 0.010841 0.037153 0.025946 0.040573 0Rh 4dyz 0.028437 -0.016004 -0.003450 0.033630 -0.019357 0.004954 0Rh 4dx2y2 -0.012998 0.022351 -0.004011 0.077482 -0.009080 -0.021603 0Rh 4dxy -0.026166 0.093573 -0.031060 -0.018701 -0.016935 -0.014060 0Rh 5dz2 0.008819 0.040863 -0.020401 0.031062 0.036618 0.010896 0Rh 5dxz 0.024086 0.106328 0.016315 0.110012 0.012830 0.020368 0Rh 5dyz 0.073728 0.033691 -0.069777 -0.002272 0.059523 -0.035903 0Rh 5dx2y2 0.010730 -0.099435 -0.025129 -0.108576 0.001099 -0.039263 0Rh 5dxy 0.011079 0.022991 -0.086228 -0.079173 -0.032920 -0.043909 0Rh 1f0 -0.003181 0.011045 0.019084 -0.004323 -0.004202 0.001236 0Rh 1f+1 -0.026323 0.010831 0.011587 0.001225 0.002668 -0.009445 0Rh 1f-1 -0.023791 0.028847 0.011666 0.008191 -0.004459 -0.057203 0Rh 1f+2 0.023246 -0.011698 -0.002771 -0.018501 -0.022056 0.012655 0Rh 1f-2 -0.003293 0.018686 0.029510 -0.011917 -0.026650 -0.019492 0Rh 1f+3 -0.026233 -0.005932 -0.024576 0.011264 0.008576 -0.015840 0Rh 1f-3 0.003068 0.006332 0.020287 -0.010392 -0.012029 -0.005853 1Rh 1s 0.001005 -0.000717 0.000281 -0.000863 -0.000658 0.002190 1Rh 2s -0.007019 0.005082 -0.000409 0.006027 0.006638 -0.011408 1Rh 3s 0.001698 -0.001172 0.001418 -0.001463 0.000122 0.006064 1Rh 4s 0.036932 -0.027266 0.002065 -0.032047 -0.035251 0.060518 1Rh 5s -0.067473 0.057340 0.005059 0.062997 0.077889 -0.096810 1Rh 6s 0.013362 -0.057524 -0.045005 -0.038562 -0.083106 -0.039819 1Rh 7s 0.176022 -0.008519 0.250276 -0.143003 0.146919 0.717335 1Rh 8s 0.061561 0.080802 0.042371 0.053670 0.077800 -0.207925 1Rh 1pz -0.000820 -0.001141 -0.001929 -0.003829 -0.000291 -0.001611 1Rh 1px -0.001523 -0.002551 -0.002647 -0.003725 -0.000576 -0.006384 1Rh 1py -0.001872 -0.005466 0.001581 0.000650 0.000118 -0.003597 1Rh 2pz 0.003535 0.003813 0.007067 0.013831 0.000501 0.006450 1Rh 2px 0.006031 0.009247 0.009968 0.013619 0.001742 0.024034 1Rh 2py 0.006999 0.019721 -0.006394 -0.002055 -0.000150 0.013767 1Rh 3pz -0.017002 0.002180 -0.008215 -0.013093 0.011413 -0.021173 1Rh 3px -0.017231 -0.008694 -0.017656 -0.015690 0.005791 -0.041743 1Rh 3py -0.010621 -0.017853 0.022016 -0.004043 -0.005590 -0.030234 1Rh 4pz 0.055371 -0.032447 -0.021754 -0.047869 -0.053157 0.052353 1Rh 4px 0.028656 -0.037541 -0.003656 -0.040070 -0.038975 -0.015336 1Rh 4py -0.014206 -0.073788 -0.054788 0.030715 0.023754 0.029400 1Rh 5pz -0.158029 0.042515 0.062095 0.100123 0.107962 -0.138632 1Rh 5px -0.056861 0.103815 0.031862 0.106204 0.081444 0.103095 1Rh 5py 0.059521 0.162814 0.154164 -0.057220 -0.045940 -0.063061 1Rh 6pz 1.067838 0.045472 -0.619950 -0.223991 -0.936016 -0.724552 1Rh 6px 0.306330 -0.697627 -0.314928 -0.561105 -0.385992 -0.829545 1Rh 6py -0.426652 -0.628937 -0.994392 0.186470 0.339680 -0.221749 1Rh 1dz2 -0.006066 0.013980 0.002097 0.008666 -0.000360 0.003508 1Rh 1dxz 0.009785 -0.018649 0.001976 -0.020451 -0.006693 0.016228 1Rh 1dyz 0.008839 0.010692 -0.004213 -0.010161 -0.004235 0.004482 1Rh 1dx2y2 -0.003514 0.004069 -0.003603 -0.016072 0.001377 -0.013745 1Rh 1dxy 0.001224 -0.027534 -0.016376 0.013120 0.005166 -0.009583 1Rh 2dz2 -0.000610 0.002438 0.000545 0.001352 0.001154 -0.000611 1Rh 2dxz 0.000694 -0.000336 0.000166 -0.001119 -0.000597 0.000772 1Rh 2dyz 0.001125 0.000737 -0.000162 -0.001513 0.001789 0.001249 1Rh 2dx2y2 -0.000138 -0.001947 -0.000400 -0.003627 0.000095 0.000472 1Rh 2dxy -0.000122 -0.004217 -0.001291 0.000459 0.000450 0.000188 1Rh 3dz2 0.021689 -0.054556 -0.009029 -0.033251 -0.004156 -0.008438 1Rh 3dxz -0.033534 0.059485 -0.007006 0.068661 0.023758 -0.054548 1Rh 3dyz -0.032376 -0.036604 0.013672 0.038548 0.005020 -0.019831 1Rh 3dx2y2 0.011695 -0.003774 0.013076 0.066791 -0.004886 0.041284 1Rh 3dxy -0.003246 0.104985 0.056773 -0.043010 -0.018442 0.029350 1Rh 4dz2 -0.016919 0.052683 0.011487 0.032454 0.016575 0.000123 1Rh 4dxz 0.020312 -0.025615 0.005730 -0.037700 -0.017877 0.033677 1Rh 4dyz 0.022586 0.023494 -0.003799 -0.034287 0.022114 0.026359 1Rh 4dx2y2 -0.007433 -0.025244 -0.010631 -0.076661 0.005137 -0.015703 1Rh 4dxy -0.000255 -0.094505 -0.035525 0.021004 0.014814 -0.010855 1Rh 5dz2 0.015583 -0.035977 -0.026874 -0.030596 -0.037405 -0.000926 1Rh 5dxz 0.049224 -0.096427 0.001623 -0.111481 -0.007037 0.029133 1Rh 5dyz 0.074694 -0.011638 -0.074339 0.003439 -0.074861 -0.055667 1Rh 5dx2y2 -0.013554 0.098636 -0.010171 0.109730 -0.011103 -0.040621 1Rh 5dxy 0.017345 -0.014413 -0.083996 0.083666 0.019747 -0.061406 1Rh 1f0 -0.000117 0.012681 -0.018239 -0.003475 -0.004032 -0.001561 1Rh 1f+1 0.022242 0.018243 -0.010473 0.001176 0.004031 0.004261 1Rh 1f-1 0.015234 0.035545 -0.008749 0.008864 0.007354 0.050375 1Rh 1f+2 -0.019766 -0.017909 0.000321 -0.018541 -0.023888 -0.006227 1Rh 1f-2 -0.003053 0.020704 -0.028934 -0.010143 -0.022792 0.019401 1Rh 1f+3 0.027488 -0.000257 0.024854 0.009106 0.011317 0.012692 1Rh 1f-3 -0.005051 0.007030 -0.020554 -0.008892 -0.010670 0.004343 2C 1s 0.001911 0.029484 -0.002271 0.010767 -0.003266 0.005869 2C 2s 0.003471 0.083633 -0.006771 0.030956 -0.010417 0.010638 2C 3s 0.169091 -0.279330 0.123526 -0.120832 0.023280 0.602307 2C 4s -0.920895 -0.283958 -0.563487 -0.065438 -0.050139 -3.136964 2C 5s 0.966795 1.454195 -0.236649 0.443151 0.100349 1.337295 2C 1pz 0.018012 -0.051235 0.018861 -0.027016 -0.004983 0.215650 2C 1px 0.025839 0.041322 -0.031793 -0.001390 0.016952 -0.011652 2C 1py 0.085918 -0.008389 0.033364 -0.012173 0.016389 0.125767 2C 2pz -0.294130 1.769845 -0.492359 0.484657 -0.114731 -1.310484 2C 2px -0.084859 0.091229 0.098701 0.063135 -0.019480 0.221328 2C 2py -0.259242 0.977827 -0.328947 0.475527 -0.304273 -0.851360 2C 3pz 0.212465 0.211529 -0.033459 0.043042 0.146340 0.133546 2C 3px 0.028520 -0.061345 -0.061882 -0.028026 0.058881 0.258921 2C 3py 0.070241 0.126158 -0.101188 0.060296 -0.080345 0.100710 2C 1dz2 -0.078371 -0.030871 -0.063408 0.021873 -0.002577 0.150001 2C 1dxz 0.066641 0.007904 0.074949 0.008206 0.069041 -0.066972 2C 1dyz 0.061001 0.121480 0.043347 0.019100 0.019288 -0.095686 2C 1dx2y2 0.040175 0.079429 0.046408 0.050901 0.141563 -0.320269 2C 1dxy -0.110463 0.008275 -0.032651 0.040853 0.075864 -0.153793 2C 2dz2 0.019606 0.564758 -0.139323 0.116021 -0.004316 -0.348045 2C 2dxz -0.176943 0.228168 -0.075250 0.140916 -0.287516 -0.198851 2C 2dyz -0.122822 0.495776 -0.204320 0.193796 -0.071441 -0.072547 2C 2dx2y2 -0.033330 -0.509463 0.018365 -0.152951 -0.037437 0.705865 2C 2dxy 0.108759 0.160967 0.147243 -0.030599 0.127192 0.012022 2C 1f0 -0.011518 -0.047161 -0.039244 -0.014587 -0.090758 0.084642 2C 1f+1 0.058380 0.104646 0.012235 0.038629 -0.144254 -0.071170 2C 1f-1 0.058175 0.166038 -0.009411 0.053630 0.034348 0.035748 2C 1f+2 0.039601 0.018622 0.030046 0.019183 -0.099291 -0.002599 2C 1f-2 -0.109283 0.041907 -0.040997 -0.004019 -0.042343 -0.167627 2C 1f+3 -0.076953 0.177471 -0.071158 0.037251 -0.007499 0.008074 2C 1f-3 -0.013888 0.012437 -0.026525 -0.006018 0.001951 0.101631 3C 1s 0.000456 -0.011130 0.009300 0.031748 -0.008379 -0.010223 3C 2s 0.001101 -0.031846 0.023403 0.088742 -0.022101 -0.031618 3C 3s 0.039321 0.110102 0.221206 -0.050400 -0.385319 0.339697 3C 4s -0.235993 0.110910 -1.600449 -1.551158 2.452157 -1.042475 3C 5s 0.327069 -0.322747 1.250691 1.157785 -0.713499 0.273618 3C 1pz -0.014555 0.006570 0.072575 0.031210 -0.104343 0.069354 3C 1px 0.012658 -0.011887 0.075513 0.047539 -0.005247 0.006703 3C 1py -0.013545 -0.023156 -0.055902 -0.024747 0.091028 -0.092703 3C 2pz -0.017947 -0.390626 -0.313690 0.458754 0.904027 -0.735038 3C 2px -0.161506 -0.091552 -0.096143 0.224877 0.166771 -0.138994 3C 2py 0.020195 0.545245 0.221687 -1.152757 -0.911235 1.102502 3C 3pz -0.024659 -0.014927 0.068480 0.067129 0.219591 -0.012558 3C 3px 0.129990 0.086413 -0.006832 -0.063079 -0.057367 0.017606 3C 3py -0.037309 0.066167 -0.237591 -0.069859 0.042848 -0.123920 3C 1dz2 0.000412 0.046893 0.101080 0.083603 -0.187737 0.025759 3C 1dxz 0.076554 0.052421 -0.072781 -0.033268 -0.152053 0.022258 3C 1dyz -0.000975 0.026495 -0.002081 -0.077847 0.000308 0.034635 3C 1dx2y2 -0.081162 -0.008499 0.000081 -0.020490 0.212433 -0.019102 3C 1dxy 0.153007 0.045002 -0.132120 -0.098659 -0.135970 -0.001002 3C 2dz2 0.026840 0.030096 -0.134516 -0.231975 0.206548 0.008827 3C 2dxz -0.156874 -0.256773 0.060977 0.406936 0.349521 -0.243174 3C 2dyz -0.031845 0.110896 -0.058129 -0.347185 -0.272127 0.258899 3C 2dx2y2 0.007174 0.199198 0.088882 -0.323271 -0.443532 0.355136 3C 2dxy -0.014844 0.064417 0.205441 -0.123018 -0.071494 0.138632 3C 1f0 -0.027158 0.052712 0.014337 -0.159746 -0.064311 0.067157 3C 1f+1 0.065832 0.022108 -0.059673 -0.046250 -0.070275 0.008290 3C 1f-1 0.006850 0.040161 -0.108387 -0.068684 0.064156 -0.031087 3C 1f+2 0.036980 -0.028674 -0.043000 0.060704 -0.076737 -0.035141 3C 1f-2 -0.043441 0.037676 0.091638 -0.021764 -0.026995 0.052689 3C 1f+3 -0.048292 -0.059340 0.062643 0.158494 0.047025 -0.049008 3C 1f-3 -0.009027 -0.027934 -0.064045 -0.043016 0.008228 0.000022 4C 1s 0.002864 0.006898 -0.000710 0.000334 0.004156 0.006556 4C 2s 0.011286 0.021242 -0.001865 0.000912 0.011179 0.025977 4C 3s -0.282292 0.259655 -0.145091 0.115198 0.410033 -0.852794 4C 4s 1.115640 -2.038676 0.773529 -0.665990 -2.032108 3.342326 4C 5s -0.319006 -1.464795 0.054040 -0.406874 -1.631019 0.193795 4C 1pz 0.025742 0.047365 0.029519 0.016692 0.049012 0.110833 4C 1px 0.023253 -0.109835 -0.028516 -0.030866 0.014697 0.071191 4C 1py 0.030551 -0.013281 0.016709 0.012622 0.019381 0.087697 4C 2pz -0.224852 0.794591 -0.520189 0.252507 -0.782478 -1.037391 4C 2px -0.275302 0.549937 0.474609 0.302874 -0.382012 -0.621751 4C 2py -0.231359 0.669086 -0.153022 0.219005 -0.640058 -0.833033 4C 3pz 0.566795 0.124768 -0.337835 0.040785 -0.711411 0.730041 4C 3px 0.175349 -0.074265 0.251492 0.016776 -0.105718 0.946389 4C 3py 0.465495 -0.043250 -0.042631 0.047500 -0.017084 0.831892 4C 1dz2 -0.073231 0.215447 -0.020302 0.048131 0.050442 -0.060011 4C 1dxz 0.277027 -0.053249 0.114373 0.026649 0.067732 0.211394 4C 1dyz 0.148124 0.368406 -0.007938 0.136730 -0.014719 -0.011266 4C 1dx2y2 0.269315 0.022991 0.145420 0.050469 0.282998 -0.136559 4C 1dxy -0.349359 0.020763 -0.257056 -0.083072 0.101845 0.139990 4C 2dz2 0.279681 -0.445018 -0.034952 -0.175131 0.135686 0.582459 4C 2dxz -0.418248 0.145766 0.248077 0.053791 0.133664 -0.556598 4C 2dyz -0.011568 -0.741469 0.153431 -0.248145 -0.009961 0.469344 4C 2dx2y2 -0.266244 0.008079 -0.160875 -0.070964 -0.753768 0.140766 4C 2dxy 0.345462 -0.183131 0.541378 0.147689 -0.559897 -0.158855 4C 1f0 0.146249 0.053186 0.058057 0.053789 0.008043 -0.034240 4C 1f+1 -0.115574 0.103063 -0.077354 0.019329 0.143221 -0.166292 4C 1f-1 -0.048227 -0.008370 -0.065570 -0.029196 0.005485 0.145638 4C 1f+2 -0.040001 -0.110720 0.002304 -0.024323 -0.123247 0.080099 4C 1f-2 0.098204 0.069832 0.050466 0.022396 -0.023551 -0.096967 4C 1f+3 0.175741 -0.017087 0.092257 0.027242 0.049110 -0.039904 4C 1f-3 0.000185 0.084485 -0.007541 0.003723 0.152852 -0.025990 5C 1s -0.000698 -0.001412 0.005165 0.006389 0.003850 0.005184 5C 2s -0.001647 -0.004196 0.019379 0.022073 0.007378 0.017579 5C 3s -0.095957 -0.077577 -0.336776 -0.134371 0.842598 -0.442086 5C 4s 0.534203 0.599755 1.120354 -0.218465 -4.116907 1.827776 5C 5s -0.055238 0.373132 -0.430487 -0.665233 -1.694927 -0.144179 5C 1pz -0.008787 -0.010672 0.042198 0.054388 -0.028066 -0.000507 5C 1px 0.047719 0.004926 0.033764 -0.045430 -0.075412 0.034179 5C 1py -0.002122 0.004201 -0.063093 -0.069959 0.097612 -0.010677 5C 2pz 0.207287 -0.092740 -0.255372 0.153762 0.276686 -0.518000 5C 2px -0.597638 -0.336249 -0.274554 0.591533 0.155062 -0.173488 5C 2py -0.143095 0.297310 0.448058 -0.420553 -0.559203 0.827278 5C 3pz 0.219527 -0.086015 0.382260 -0.043391 -0.806587 0.114074 5C 3px -0.232026 -0.084384 0.522970 0.103997 -0.661143 0.456939 5C 3py -0.162898 -0.122727 -0.614942 -0.105060 0.711489 -0.152432 5C 1dz2 -0.098158 -0.004726 0.103666 0.000714 -0.141759 0.001027 5C 1dxz 0.244802 0.109993 -0.362656 -0.055539 -0.090014 -0.039177 5C 1dyz 0.026490 0.108880 -0.002469 -0.303736 -0.175253 0.125123 5C 1dx2y2 0.037782 0.117459 -0.111280 -0.227847 0.138655 0.027668 5C 1dxy 0.102627 0.043644 -0.359911 -0.138392 0.031868 -0.002652 5C 2dz2 0.205599 -0.028307 -0.181464 -0.045107 0.576833 -0.179869 5C 2dxz -0.483814 -0.106984 0.388151 -0.014614 0.253909 0.279029 5C 2dyz -0.253076 -0.263452 -0.187472 0.501626 0.752551 -0.352877 5C 2dx2y2 -0.218816 -0.238722 -0.073798 0.343541 -0.253830 -0.128956 5C 2dxy 0.206661 0.063696 0.371438 -0.008520 0.144296 -0.190072 5C 1f0 0.061831 -0.004582 -0.149350 0.003391 0.018006 -0.058460 5C 1f+1 -0.066602 -0.012826 0.104976 0.057843 0.118231 0.028437 5C 1f-1 -0.081693 -0.023690 0.089869 0.052221 0.081882 0.009252 5C 1f+2 -0.070119 -0.037558 0.036067 -0.028098 0.044633 -0.005621 5C 1f-2 0.074962 0.074430 -0.094650 -0.091868 -0.152780 -0.003691 5C 1f+3 0.046850 0.011950 -0.134877 -0.035056 0.224812 -0.054505 5C 1f-3 0.040581 0.016219 -0.039842 0.005021 -0.203992 -0.013111 6C 1s -0.001171 0.000884 0.004735 -0.006504 -0.002696 0.005031 6C 2s -0.003113 0.002474 0.017899 -0.022554 -0.003515 0.016739 6C 3s -0.109965 0.068956 -0.332385 0.148965 -0.928297 -0.376977 6C 4s 0.675837 -0.497201 1.142974 0.163814 4.454366 1.484297 6C 5s 0.046136 -0.346349 -0.371863 0.681793 1.654674 -0.143418 6C 1pz 0.012003 -0.004427 -0.038368 0.054827 -0.026951 0.007249 6C 1px -0.048555 -0.005325 -0.035738 -0.043862 -0.078751 -0.019080 6C 1py 0.000531 -0.000797 0.056691 -0.070529 0.095281 -0.017535 6C 2pz -0.171898 -0.163423 0.244732 0.159503 0.364005 0.310309 6C 2px 0.693843 -0.177363 0.287194 0.569278 0.161150 0.095450 6C 2py 0.045203 0.355574 -0.434164 -0.422387 -0.688804 -0.490351 6C 3pz -0.200209 -0.116196 -0.392311 -0.015375 -0.820390 0.036154 6C 3px 0.243606 0.012473 -0.514117 0.117584 -0.737296 -0.338526 6C 3py 0.195062 -0.108364 0.601694 -0.132771 0.760059 0.219383 6C 1dz2 -0.098891 -0.030283 0.108635 -0.005111 0.144321 0.030461 6C 1dxz 0.271550 -0.012545 -0.368125 0.073341 0.082086 0.011009 6C 1dyz 0.061074 -0.096144 0.013817 0.300172 0.193497 0.071166 6C 1dx2y2 0.075644 -0.092389 -0.107991 0.234329 -0.133453 0.058335 6C 1dxy 0.113110 0.011861 -0.354868 0.154673 -0.027739 0.003752 6C 2dz2 0.199951 0.095566 -0.186518 0.049813 -0.617026 -0.221482 6C 2dxz -0.503837 -0.056181 0.387350 0.008069 -0.201592 0.196345 6C 2dyz -0.330422 0.194488 -0.212565 -0.484667 -0.803964 -0.231842 6C 2dx2y2 -0.292743 0.172573 -0.068001 -0.343805 0.248161 -0.079718 6C 2dxy 0.227518 -0.028023 0.373932 -0.022014 -0.189673 -0.080704 6C 1f0 -0.058464 -0.031483 0.152004 -0.004080 0.030313 0.059282 6C 1f+1 0.068242 0.012703 -0.098818 0.059791 0.115135 -0.017828 6C 1f-1 0.089274 0.005758 -0.089481 0.055017 0.075559 -0.036052 6C 1f+2 0.077872 -0.014273 -0.040644 -0.026270 0.046602 0.018816 6C 1f-2 -0.096531 0.043948 0.091793 -0.095477 -0.149441 -0.002958 6C 1f+3 -0.051012 -0.012182 0.137942 -0.042820 0.234525 0.038331 6C 1f-3 -0.043428 0.002429 0.039698 0.003713 -0.198392 0.028127 7C 1s 0.004505 -0.005702 -0.001192 -0.000337 -0.002718 0.007185 7C 2s 0.016237 -0.016815 -0.003356 -0.000997 -0.005748 0.025628 7C 3s -0.212629 -0.328244 -0.165339 -0.100153 -0.555443 -0.466193 7C 4s 0.581269 2.256220 0.936564 0.594543 2.583926 1.603766 7C 5s -0.659725 1.314374 0.165598 0.406490 1.609927 -0.537766 7C 1pz -0.035431 0.037858 -0.024804 0.018561 0.026148 -0.080494 7C 1px 0.008408 -0.115097 0.018104 -0.033141 0.001762 -0.050662 7C 1py -0.024059 -0.021815 -0.017389 0.013807 0.001995 -0.064246 7C 2pz -0.015645 0.809052 0.599167 0.223680 -0.536345 1.002302 7C 2px 0.126090 0.649558 -0.405406 0.333623 -0.254344 0.653888 7C 2py 0.033669 0.717397 0.225112 0.213932 -0.449219 0.846534 7C 3pz -0.579838 -0.069715 0.340944 0.038719 -0.812058 -0.347528 7C 3px -0.133995 -0.102021 -0.251700 0.031968 -0.279175 -0.706881 7C 3py -0.435698 -0.172975 0.047207 0.063162 -0.149259 -0.496338 7C 1dz2 -0.014980 -0.223689 -0.041149 -0.046814 -0.060895 -0.071825 7C 1dxz 0.252451 0.118211 0.122517 -0.042281 -0.033073 0.146708 7C 1dyz 0.235436 -0.315145 -0.039754 -0.141751 0.006394 -0.016596 7C 1dx2y2 0.256678 0.036070 0.150682 -0.069838 -0.305816 -0.046015 7C 1dxy -0.325181 -0.090261 -0.260436 0.113940 -0.064684 0.200475 7C 2dz2 0.152862 0.511266 0.013749 0.176480 -0.018317 0.543996 7C 2dxz -0.379864 -0.270816 0.227751 -0.056999 -0.220714 -0.390501 7C 2dyz -0.201219 0.713354 0.217766 0.244425 0.105661 0.303982 7C 2dx2y2 -0.234899 -0.065115 -0.172113 0.088341 0.749736 -0.153103 7C 2dxy 0.279198 0.217457 0.546903 -0.200596 0.509317 -0.386882 7C 1f0 -0.152020 0.017820 -0.056952 0.063311 0.013652 0.011477 7C 1f+1 0.087620 0.126185 0.086597 0.010612 0.166443 0.045050 7C 1f-1 0.046323 -0.002565 0.064182 -0.036012 -0.024080 -0.145284 7C 1f+2 0.064520 -0.097097 -0.010033 -0.026281 -0.134928 -0.027491 7C 1f-2 -0.108588 0.045774 -0.045549 0.029355 -0.003495 0.086638 7C 1f+3 -0.162051 -0.054398 -0.095413 0.040084 0.056953 0.022917 7C 1f-3 -0.020080 0.080877 0.011932 0.002087 0.153034 -0.043261 8C 1s -0.003154 0.009915 0.007824 -0.031907 0.006132 -0.009910 8C 2s -0.009205 0.028530 0.019355 -0.089105 0.015232 -0.030189 8C 3s 0.069853 -0.109123 0.217189 0.043779 0.446337 0.259530 8C 4s -0.175264 -0.049123 -1.493472 1.588192 -2.602833 -0.610206 8C 5s 0.227692 0.315516 1.173855 -1.210145 0.768645 0.202566 8C 1pz 0.013656 0.015598 -0.071067 0.033580 -0.115841 -0.048615 8C 1px -0.008493 -0.009340 -0.073569 0.051778 -0.006319 0.000137 8C 1py 0.019358 -0.021986 0.051904 -0.025292 0.108860 0.077920 8C 2pz 0.131179 -0.389461 0.313764 0.451665 1.019080 0.463120 8C 2px 0.187297 -0.050138 0.109262 0.214215 0.187150 0.017747 8C 2py -0.190584 0.526203 -0.260709 -1.150865 -1.110330 -0.864790 8C 3pz 0.029053 -0.005380 -0.062225 0.067567 0.211026 -0.055915 8C 3px -0.152623 0.045970 0.006801 -0.060874 -0.064018 -0.042061 8C 3py 0.021924 0.059365 0.231746 -0.083290 0.066767 0.078235 8C 1dz2 0.011650 -0.053450 0.095039 -0.088810 0.191950 0.023416 8C 1dxz 0.089501 -0.023715 -0.074641 0.037528 0.151412 0.029154 8C 1dyz 0.008628 -0.024841 0.000891 0.078193 0.007087 0.027378 8C 1dx2y2 -0.082299 -0.013237 0.000129 0.021951 -0.214718 -0.000679 8C 1dxy 0.162781 0.008683 -0.125573 0.100581 0.134515 0.013966 8C 2dz2 0.037850 -0.007358 -0.121610 0.235515 -0.200605 0.070824 8C 2dxz -0.233409 0.195596 0.056967 -0.413187 -0.379420 -0.236736 8C 2dyz 0.003850 -0.108836 -0.040499 0.349710 0.321069 0.203927 8C 2dx2y2 0.067147 -0.195601 0.095978 0.323626 0.502396 0.217306 8C 2dxy 0.006939 -0.081792 0.209818 0.112988 0.092626 0.027039 8C 1f0 0.009091 0.058635 -0.022713 -0.158322 -0.076471 -0.052210 8C 1f+1 -0.072066 -0.002043 0.057428 -0.044408 -0.069779 0.010459 8C 1f-1 -0.016813 0.028466 0.104023 -0.072545 0.064779 -0.019972 8C 1f+2 -0.025765 -0.039746 0.043528 0.058888 -0.070509 0.038336 8C 1f-2 0.031180 0.053337 -0.090787 -0.017499 -0.035790 -0.060929 8C 1f+3 0.067665 -0.039153 -0.058705 0.162686 0.052158 0.019372 8C 1f-3 0.016269 -0.028760 0.059657 -0.043907 0.009203 0.035648 9C 1s 0.009445 -0.027467 -0.005229 -0.010710 0.003953 -0.000663 9C 2s 0.024954 -0.078519 -0.015201 -0.030749 0.011159 -0.007003 9C 3s 0.089162 0.315947 0.151115 0.111597 0.096019 0.461176 9C 4s -0.946541 0.000344 -0.529671 0.111078 -0.549548 -2.089466 9C 5s 1.295314 -1.098002 -0.360920 -0.458963 0.128538 0.970540 9C 1pz -0.003818 -0.056493 -0.023224 -0.026778 -0.048345 -0.169168 9C 1px -0.033870 0.030261 0.035303 -0.003000 0.018220 0.002448 9C 1py -0.080259 -0.030821 -0.035851 -0.007737 -0.006656 -0.088755 9C 2pz -0.184094 1.763751 0.651641 0.456321 0.161694 1.085442 9C 2px 0.061589 0.117649 -0.088559 0.064300 -0.054022 -0.141414 9C 2py -0.010130 1.011085 0.434455 0.456487 -0.127889 0.671600 9C 3pz -0.254043 0.144657 0.049487 0.048363 0.123668 -0.142153 9C 3px -0.018449 -0.075926 0.052611 -0.033056 0.010674 -0.214842 9C 3py -0.099127 0.091540 0.109646 0.054734 -0.097131 -0.116209 9C 1dz2 -0.081174 0.015602 -0.063695 -0.015563 0.031641 0.106236 9C 1dxz 0.061370 0.005386 0.073705 -0.014646 -0.078303 -0.038596 9C 1dyz 0.088653 -0.104229 0.034435 -0.023666 -0.037960 -0.084320 9C 1dx2y2 0.054892 -0.073152 0.038703 -0.054686 -0.195084 -0.191401 9C 1dxy -0.105759 -0.040072 -0.037716 -0.035647 -0.102712 -0.068441 9C 2dz2 0.165962 -0.529293 -0.186640 -0.108806 -0.072369 -0.280387 9C 2dxz -0.104747 -0.268544 -0.104734 -0.133128 0.240956 -0.211726 9C 2dyz 0.012500 -0.502644 -0.255969 -0.180927 0.054183 -0.045077 9C 2dx2y2 -0.164499 0.489739 0.061384 0.156715 0.177685 0.547876 9C 2dxy 0.141740 -0.124253 0.142368 0.017991 -0.124426 -0.033133 9C 1f0 0.023218 -0.047568 0.034419 -0.019706 -0.105997 -0.072898 9C 1f+1 -0.085120 0.084636 -0.004394 0.042826 -0.124785 0.097759 9C 1f-1 -0.097994 0.144794 0.024325 0.054905 0.025213 -0.047554 9C 1f+2 -0.044519 0.011176 -0.028573 0.022943 -0.098035 0.019760 9C 1f-2 0.090533 0.069298 0.044159 -0.007411 -0.012470 0.133057 9C 1f+3 0.027502 0.182740 0.087945 0.030719 -0.007257 0.008712 9C 1f-3 0.007610 0.017924 0.030799 -0.007074 -0.016406 -0.069021 10H 1s 0.003877 0.035233 -0.010286 0.006210 -0.001404 -0.164694 10H 2s 0.069007 1.190213 -0.089277 0.384205 -0.221284 -0.153101 10H 3s -0.071842 -0.280405 0.016896 -0.091706 0.004984 -0.261117 10H 1pz 0.076723 0.382161 -0.019880 0.106729 -0.042596 -0.070757 10H 1px -0.002640 -0.388875 0.019051 -0.141113 0.073975 -0.126164 10H 1py -0.067820 0.137952 -0.083548 0.033613 -0.086229 -0.002593 11H 1s 0.055414 -0.065029 0.062495 -0.012950 0.077888 -0.042397 11H 2s 0.192421 0.871221 0.004461 0.141153 0.105372 0.765706 11H 3s -0.074564 -0.324613 0.021509 -0.091803 0.064568 -0.126832 11H 1pz 0.077389 0.288548 0.019975 0.047732 0.113124 0.285480 11H 1px -0.017331 0.252403 -0.051492 0.051941 0.001043 0.247725 11H 1py -0.015605 -0.302711 0.024019 -0.098196 0.072236 0.061768 12H 1s -0.118980 -0.109517 -0.044408 -0.029888 -0.049338 0.018972 12H 2s 0.159105 0.702947 -0.116838 0.374005 -0.266651 0.753262 12H 3s -0.124307 -0.311988 0.000437 -0.102061 0.014702 -0.118161 12H 1pz 0.021288 -0.199185 0.032679 -0.044895 -0.037497 0.151141 12H 1px 0.072590 0.113395 0.005543 0.057686 -0.011482 0.220561 12H 1py 0.117692 0.386533 -0.019120 0.177685 -0.104165 0.264363 13H 1s -0.023046 -0.025216 -0.008576 -0.012677 0.097697 -0.032610 13H 2s -0.023640 -0.500317 0.244618 1.195141 -0.019419 -0.441421 13H 3s -0.072776 0.076715 -0.130330 -0.295618 0.196112 0.032831 13H 1pz 0.047646 -0.129817 0.017250 0.363955 -0.051833 -0.135676 13H 1px 0.020600 0.134879 -0.123406 -0.361548 0.124974 0.077247 13H 1py 0.003536 0.124211 -0.093960 -0.285129 -0.032455 0.101416 14H 1s 0.036669 0.067911 -0.138736 -0.143183 0.032310 0.009525 14H 2s 0.034220 -0.243440 0.380690 0.823158 -0.349967 -0.100128 14H 3s -0.015476 0.120154 -0.201039 -0.313639 0.145761 0.015064 14H 1pz -0.034922 -0.084498 0.136989 0.265850 -0.037545 -0.030815 14H 1px 0.003340 -0.114903 0.217963 0.400987 -0.175684 -0.039015 14H 1py 0.022157 -0.089830 -0.017561 0.142958 0.010032 -0.111799 15H 1s -0.023708 -0.000691 0.022816 -0.056199 -0.017115 0.019078 15H 2s 0.066751 -0.210410 0.572523 1.161350 -0.541678 -0.105999 15H 3s -0.038441 0.062381 -0.160849 -0.353031 0.116037 0.070079 15H 1pz -0.021188 0.094884 -0.074184 -0.355811 0.039010 0.128201 15H 1px 0.065510 0.023906 -0.005549 0.037838 -0.107590 0.013461 15H 1py -0.019730 0.110502 -0.246208 -0.459950 0.230928 0.007136 16H 1s 0.015578 -0.001879 -0.003647 0.017776 0.001625 0.030852 16H 2s 0.174327 -0.074483 0.070489 -0.275043 0.020974 0.426381 16H 3s 0.001259 0.035991 -0.032383 0.041230 0.012288 0.039112 16H 1pz 0.065413 -0.041478 0.038003 -0.117279 0.003897 0.201674 16H 1px -0.000513 0.007964 -0.009881 0.000565 0.010481 0.039444 16H 1py 0.024345 0.011782 0.018539 -0.011476 -0.013592 0.017752 17H 1s -0.013836 -0.007560 0.003734 -0.011757 0.005883 0.002960 17H 2s 0.072359 -0.261359 0.096855 -0.274152 0.104986 0.600465 17H 3s -0.060695 0.049316 -0.017559 0.030328 0.018379 -0.059663 17H 1pz -0.036293 0.072163 -0.023356 0.094014 -0.033708 -0.215545 17H 1px -0.027357 0.086805 -0.031861 0.059833 -0.036415 -0.133966 17H 1py 0.007674 -0.049457 0.027678 -0.043014 0.029528 0.079498 18H 1s -0.015624 0.003939 0.005395 0.011572 -0.004955 0.001353 18H 2s 0.012987 0.268410 0.135730 0.270669 0.013002 0.540610 18H 3s -0.047490 -0.064282 -0.023099 -0.028687 -0.029162 -0.049856 18H 1pz 0.018719 0.081228 0.036562 0.094777 0.009721 0.196246 18H 1px 0.006654 0.088347 0.042303 0.057473 -0.010994 0.117539 18H 1py 0.003575 -0.045987 -0.033002 -0.038497 0.014998 -0.062860 19H 1s 0.014088 0.006340 -0.004971 -0.017875 0.004285 0.022970 19H 2s 0.156865 0.119364 0.093031 0.270372 0.068628 0.418972 19H 3s 0.007010 -0.031893 -0.039259 -0.038677 -0.005683 0.029690 19H 1pz -0.055198 -0.057466 -0.048041 -0.114753 -0.038188 -0.191952 19H 1px -0.000907 0.006943 0.010310 -0.000156 0.002040 -0.031932 19H 1py -0.029064 0.004396 -0.018583 -0.012269 -0.017425 -0.021496 20H 1s -0.022896 -0.008085 0.028095 0.053624 0.018005 -0.011084 20H 2s -0.013708 0.173002 0.504553 -1.176927 0.503679 -0.201167 20H 3s -0.013553 -0.057903 -0.140174 0.357046 -0.100944 0.060559 20H 1pz -0.012491 0.089847 0.056431 -0.357359 0.013302 -0.102038 20H 1px -0.070033 0.004329 0.009593 0.040344 -0.107361 0.000981 20H 1py -0.018187 0.091055 0.219067 -0.465245 0.221042 -0.069229 21H 1s 0.057803 -0.044166 -0.135284 0.149999 -0.030050 0.034662 21H 2s -0.045576 0.212900 0.338400 -0.828812 0.326209 -0.003312 21H 3s 0.021112 -0.103740 -0.184571 0.320348 -0.140032 0.027494 21H 1pz 0.061726 -0.061802 -0.124642 0.270720 -0.033987 -0.002379 21H 1px 0.034318 -0.092900 -0.197280 0.404433 -0.163715 0.023912 21H 1py 0.005690 -0.091804 0.020368 0.144738 0.032095 0.127571 22H 1s -0.029043 0.018689 -0.005790 0.011481 -0.100529 -0.022483 22H 2s -0.182822 0.448665 0.201475 -1.200918 -0.057887 -0.394961 22H 3s -0.046564 -0.082551 -0.115372 0.300249 -0.186495 0.047246 22H 1pz -0.005052 -0.133506 -0.000686 0.359725 -0.026763 0.104605 22H 1px -0.063604 0.112407 0.108003 -0.365204 0.107511 -0.090168 22H 1py -0.044309 0.110579 0.086347 -0.292515 -0.047774 -0.097305 23H 1s -0.140508 0.075882 -0.036691 0.037659 0.055724 0.035894 23H 2s 0.334137 -0.616662 -0.197544 -0.369735 0.395414 0.454574 23H 3s -0.198423 0.264669 0.031923 0.107391 -0.033726 -0.041174 23H 1pz 0.032447 -0.196423 -0.050948 -0.044753 -0.068697 -0.145515 23H 1px -0.097385 0.081804 0.004611 0.057377 -0.049233 -0.142983 23H 1py -0.212314 0.336402 0.060165 0.180114 -0.149018 -0.144563 24H 1s 0.036615 0.072025 0.071069 0.006444 -0.085976 -0.026902 24H 2s 0.406711 -0.768620 -0.070340 -0.145078 0.028730 0.444337 24H 3s -0.153616 0.285971 0.051023 0.093641 -0.081591 -0.038788 24H 1pz -0.144815 0.250438 0.005654 0.049702 0.060206 -0.184697 24H 1px -0.052078 0.242537 0.075695 0.048306 -0.044336 -0.155635 24H 1py 0.091943 -0.282338 -0.052518 -0.097509 0.055942 -0.096722 25H 1s 0.010919 -0.034914 -0.013406 -0.006697 -0.030062 -0.123064 25H 2s 0.378787 -1.114030 -0.204993 -0.384886 0.177388 -0.297724 25H 3s -0.145049 0.243013 0.042946 0.092034 -0.051382 -0.163179 25H 1pz -0.174810 0.345589 0.054016 0.111203 -0.024074 0.109926 25H 1px 0.103712 -0.367389 -0.059507 -0.139813 0.093693 0.025520 25H 1py 0.028105 0.140179 0.097807 0.024881 -0.082989 0.017545 26O 1s 0.003282 -0.002583 0.001192 -0.001345 -0.004475 -0.005157 26O 2s 0.012402 -0.008842 0.003295 -0.004852 -0.015838 -0.014815 26O 3s -0.105400 0.044848 0.011084 0.039550 0.029424 0.061291 26O 4s 0.350898 -0.131366 -0.239885 -0.136629 0.472133 0.361874 26O 5s -0.722608 0.351041 -0.236013 -0.035937 1.499394 -1.265400 26O 1pz 0.111622 0.002302 0.056639 0.041127 0.043253 0.081358 26O 1px 0.017826 0.015957 -0.032375 -0.019576 0.209742 0.071830 26O 1py -0.070754 -0.042118 -0.064115 -0.019461 -0.000009 0.142001 26O 2pz -0.107067 0.007757 -0.086555 -0.057796 -0.145390 -0.107281 26O 2px -0.006320 -0.100776 0.225840 0.067155 -0.791132 -0.222118 26O 2py 0.031208 0.056023 0.109357 0.023623 -0.214791 -0.239245 26O 3pz 0.149292 -0.232354 0.266879 0.017945 0.131908 0.552282 26O 3px 0.060232 -0.108576 0.405123 0.065962 -0.373190 0.623139 26O 3py -0.454577 -0.151229 -0.022093 -0.159878 -0.341269 0.710292 26O 1dz2 0.001560 0.004302 0.006093 0.005358 -0.001905 -0.006338 26O 1dxz -0.001465 0.000978 0.000991 0.001733 0.000584 -0.006893 26O 1dyz -0.006856 0.007635 -0.000943 0.000024 0.001833 -0.008826 26O 1dx2y2 0.004416 0.001222 -0.000318 -0.000772 0.011480 -0.000273 26O 1dxy -0.000351 0.001126 0.000989 0.001230 0.010650 -0.003320 26O 2dz2 0.000914 -0.000725 0.078551 0.029510 -0.011467 -0.037013 26O 2dxz -0.047737 0.054772 0.026619 0.014747 -0.019521 -0.117493 26O 2dyz -0.088897 0.082056 0.015987 0.020631 -0.023252 -0.133271 26O 2dx2y2 -0.026682 0.085163 -0.069211 -0.019025 0.133357 -0.003398 26O 2dxy 0.043220 0.065412 0.020947 0.040988 0.065179 -0.136525 26O 1f0 -0.019371 -0.009336 -0.006731 -0.007163 0.000838 -0.011495 26O 1f+1 0.005848 0.009080 0.003064 0.004471 0.015792 -0.006410 26O 1f-1 0.023147 -0.007489 0.010814 0.001532 0.011922 -0.004700 26O 1f+2 0.035531 0.014689 0.009912 0.007032 -0.000671 0.018344 26O 1f-2 0.013526 0.005272 0.007241 0.006227 -0.010633 0.004729 26O 1f+3 -0.051169 0.002387 -0.039048 -0.010834 -0.017290 0.024698 26O 1f-3 0.017111 0.002274 0.005957 0.004452 0.022983 -0.005723 27O 1s 0.000639 -0.008728 0.000702 -0.001324 0.001742 0.003282 27O 2s 0.003969 -0.030425 0.003683 -0.003857 0.003927 0.011899 27O 3s -0.058475 0.208101 -0.050719 0.036825 -0.090014 -0.093090 27O 4s 0.335972 -0.200056 0.294421 -0.232434 0.398064 0.264982 27O 5s -0.135309 0.213334 -0.786594 -0.373713 1.874844 -0.787283 27O 1pz 0.040702 0.069306 -0.035527 -0.039073 -0.035364 0.030184 27O 1px 0.016601 0.113418 -0.011135 -0.092117 0.154721 0.018431 27O 1py 0.053866 -0.010430 -0.135544 -0.058933 0.052006 -0.014110 27O 2pz 0.011945 -0.101081 -0.013797 0.067477 0.050799 -0.091688 27O 2px -0.122207 -0.247564 -0.027317 0.248262 -0.670203 0.006076 27O 2py -0.066526 0.037208 0.156324 0.064725 0.007684 -0.009742 27O 3pz 0.183600 0.225807 -0.353707 -0.081107 0.017641 -0.087810 27O 3px -0.276138 0.248465 -0.084901 0.042015 -0.678096 0.238010 27O 3py 0.266223 -0.049876 -0.230169 0.064532 0.405619 -0.112168 27O 1dz2 0.004729 0.000607 -0.004329 0.001572 -0.009361 0.004058 27O 1dxz 0.000660 0.000828 -0.003693 -0.001047 -0.002385 -0.001478 27O 1dyz 0.002833 0.000439 0.004034 -0.003543 -0.008765 0.002576 27O 1dx2y2 0.001800 0.007185 -0.000326 -0.008495 0.009832 0.004818 27O 1dxy 0.001212 -0.001664 0.004235 0.001806 -0.008595 0.001257 27O 2dz2 0.036895 0.041567 -0.038211 -0.040133 -0.098609 0.044497 27O 2dxz -0.077397 -0.014776 0.024833 -0.023150 0.009234 0.030147 27O 2dyz 0.052796 0.017534 0.048667 -0.017036 -0.088801 0.031443 27O 2dx2y2 0.036658 0.037074 0.017297 -0.029152 0.118066 0.012114 27O 2dxy 0.017028 0.034698 0.074431 -0.076281 -0.071410 0.091062 27O 1f0 -0.021685 -0.008454 0.025847 0.004722 0.004262 0.000948 27O 1f+1 -0.000668 0.001959 0.001941 -0.006060 0.018526 -0.002724 27O 1f-1 -0.006540 -0.001802 0.013498 0.012195 -0.005784 0.000760 27O 1f+2 0.026545 0.006563 -0.034768 0.006792 -0.004377 -0.008608 27O 1f-2 -0.003976 -0.007728 0.028968 0.011898 -0.006274 0.003407 27O 1f+3 -0.012715 -0.009960 0.034013 0.014444 0.006978 -0.002099 27O 1f-3 -0.006644 -0.009600 0.032131 0.023273 -0.023517 -0.004728 28O 1s 0.004733 0.022122 -0.004662 0.006570 0.004029 -0.011629 28O 2s 0.016616 0.075624 -0.014409 0.022642 0.014592 -0.038373 28O 3s -0.107059 -0.580107 0.075479 -0.176405 -0.161637 0.323008 28O 4s 0.086122 1.203336 0.078916 0.388157 0.493413 -0.976900 28O 5s -0.502056 -0.196820 0.266943 0.054925 1.129946 -0.515258 28O 1pz -0.108987 -0.026162 -0.057298 -0.031892 -0.073097 -0.167428 28O 1px -0.014300 0.041599 -0.052333 0.000869 -0.101390 0.055804 28O 1py 0.044629 0.068227 0.048386 0.016786 -0.032225 -0.166172 28O 2pz 0.204139 -0.092563 0.024330 -0.011822 -0.077240 0.534640 28O 2px -0.075162 0.158114 0.160970 0.081476 0.393250 -0.412633 28O 2py 0.020144 -0.109267 -0.041070 -0.007881 -0.015920 0.325659 28O 3pz -0.213682 -0.140189 -0.484003 -0.101166 -0.444673 -0.760713 28O 3px -0.420030 0.126106 0.240790 0.085946 0.441023 -0.072160 28O 3py 0.218028 0.093260 0.124433 0.024722 -0.299459 -0.600088 28O 1dz2 -0.004226 0.003005 -0.003632 0.002515 0.002323 -0.003294 28O 1dxz 0.000588 0.001677 -0.001690 0.000244 -0.002566 0.010958 28O 1dyz -0.000626 0.006473 -0.001415 0.002290 0.002040 -0.004163 28O 1dx2y2 -0.004743 -0.002353 -0.003008 -0.002105 0.004086 -0.001007 28O 1dxy -0.000394 -0.000240 -0.000639 0.001036 -0.001749 0.007196 28O 2dz2 0.014775 0.026147 -0.033848 0.029123 -0.052340 0.101381 28O 2dxz -0.026955 0.044828 -0.064014 0.004384 -0.056309 -0.063837 28O 2dyz -0.036587 0.068877 -0.062500 0.015543 0.022479 -0.000382 28O 2dx2y2 -0.077630 -0.046080 0.008753 -0.018819 0.132672 -0.010649 28O 2dxy 0.048240 0.021591 0.029057 0.017344 -0.019515 -0.029477 28O 1f0 -0.035338 0.016907 -0.018183 -0.002044 -0.005078 -0.001981 28O 1f+1 0.025827 -0.008418 0.012559 0.000923 0.020279 -0.008763 28O 1f-1 0.012760 0.004306 0.001506 0.001772 -0.013914 0.000841 28O 1f+2 -0.003669 -0.021702 -0.002765 -0.009552 -0.006911 0.015134 28O 1f-2 -0.034870 -0.016371 -0.016318 -0.013677 0.015849 0.009884 28O 1f+3 -0.007105 -0.026963 -0.006972 -0.009205 0.002214 0.012974 28O 1f-3 -0.022347 -0.011534 -0.016195 -0.009643 0.010275 -0.005490 29O 1s 0.010525 -0.009759 0.010592 -0.010640 0.006084 0.030781 29O 2s 0.035622 -0.033023 0.035874 -0.035121 0.020368 0.102761 29O 3s -0.229266 0.209165 -0.232626 0.203269 -0.129744 -0.636498 29O 4s 0.346600 -0.356600 0.335322 -0.288056 0.177444 0.914404 29O 5s -0.491600 0.720179 -0.370658 0.721009 -0.211606 -1.548166 29O 1pz -0.010427 0.013864 -0.031006 0.024663 -0.023212 -0.077185 29O 1px 0.057763 -0.006091 0.060141 -0.044556 0.043810 0.215590 29O 1py -0.040999 0.075408 -0.032752 0.036281 -0.006981 -0.072589 29O 2pz 0.039277 -0.000359 0.072525 -0.084321 0.003559 0.167564 29O 2px -0.141699 0.095550 -0.136993 0.159764 -0.106477 -0.543539 29O 2py 0.120275 -0.199684 0.105953 -0.155412 0.038506 0.304699 29O 3pz 0.141422 0.171999 -0.136046 0.099527 0.014328 -0.185467 29O 3px 0.223846 -0.177344 0.129950 -0.135546 0.049950 0.330986 29O 3py -0.042778 0.014548 -0.106488 -0.124852 0.011746 0.226634 29O 1dz2 0.004670 -0.000402 -0.000613 -0.002493 0.000382 0.002770 29O 1dxz -0.003509 -0.005042 0.004560 -0.003570 -0.001780 0.006708 29O 1dyz -0.004018 0.001486 -0.000563 -0.000688 -0.002946 -0.000502 29O 1dx2y2 -0.005036 0.003799 -0.002835 0.003508 -0.000791 -0.004535 29O 1dxy 0.001510 0.001320 0.005989 0.000613 -0.000788 -0.002480 29O 2dz2 -0.010032 -0.000999 -0.025071 0.012746 0.007521 -0.042570 29O 2dxz -0.018394 0.011377 0.004615 0.010321 -0.032418 -0.015897 29O 2dyz -0.051864 -0.024204 -0.000529 0.007442 0.003288 -0.022884 29O 2dx2y2 -0.017305 0.020604 -0.012671 0.011027 -0.002521 0.009924 29O 2dxy 0.028634 -0.050162 0.053869 -0.058819 0.027855 0.142429 29O 1f0 0.001355 -0.004238 0.002368 -0.005723 0.002068 0.008985 29O 1f+1 0.000523 0.001854 -0.002015 0.002224 0.000464 -0.005396 29O 1f-1 0.001315 -0.000710 0.001444 -0.006416 -0.000335 0.004133 29O 1f+2 -0.003667 -0.000592 -0.000167 -0.000922 -0.001432 -0.000841 29O 1f-2 0.002810 -0.001343 -0.001352 -0.000983 0.001503 0.007294 29O 1f+3 0.001188 -0.001147 -0.001659 -0.003138 -0.000410 0.001754 29O 1f-3 -0.003468 0.000650 -0.003482 0.000287 -0.000040 -0.000427 30O 1s 0.003214 0.003313 0.003813 0.010101 0.018155 -0.011096 30O 2s 0.010077 0.011986 0.014015 0.035185 0.061618 -0.036830 30O 3s -0.029566 -0.067954 -0.106613 -0.278435 -0.508767 0.244196 30O 4s -0.235025 -0.030859 0.175601 0.625845 1.206270 -0.291101 30O 5s -0.555032 -0.253865 -0.367524 -0.213677 0.714856 0.074638 30O 1pz -0.064005 -0.073977 0.036677 0.077543 0.087306 -0.008247 30O 1px 0.071054 0.010027 -0.007825 0.056461 -0.057522 -0.103180 30O 1py -0.027455 0.049308 0.142182 0.068570 -0.001405 0.011976 30O 2pz 0.162547 0.169292 0.038842 -0.162705 -0.374245 0.056346 30O 2px -0.301560 -0.123191 0.026985 0.051703 0.376168 0.185738 30O 2py -0.066893 -0.135667 -0.214908 -0.071831 0.224564 -0.008844 30O 3pz -0.010001 -0.037112 0.275188 0.176412 -0.060416 -0.179138 30O 3px -0.325381 0.029727 -0.209148 0.047704 0.431227 -0.041760 30O 3py -0.411991 0.120615 0.440598 0.128242 0.316826 0.366862 30O 1dz2 -0.003366 0.000257 0.003569 0.001180 0.001536 -0.002486 30O 1dxz -0.000192 0.002508 0.003700 0.002841 -0.002932 -0.005280 30O 1dyz 0.001611 0.004323 0.002100 -0.003405 -0.007609 0.005712 30O 1dx2y2 -0.003188 0.003274 0.002118 -0.002242 -0.000688 0.003938 30O 1dxy -0.004342 -0.001090 -0.001772 -0.003984 0.003768 -0.000037 30O 2dz2 0.028976 -0.006065 -0.028174 -0.008777 -0.035130 -0.057802 30O 2dxz 0.002325 0.012323 0.074182 0.065565 -0.028496 -0.032736 30O 2dyz -0.026398 0.016037 0.012657 -0.047411 -0.002932 0.065526 30O 2dx2y2 -0.103196 0.004023 -0.000453 -0.057003 0.121202 0.053787 30O 2dxy -0.084976 0.012917 0.067602 -0.015688 0.013266 0.092323 30O 1f0 -0.014790 -0.008252 0.014503 0.014744 0.019652 -0.001701 30O 1f+1 0.023236 0.008152 -0.036427 -0.022524 0.007594 0.002574 30O 1f-1 0.018790 0.012242 -0.036264 -0.015013 0.004404 0.001042 30O 1f+2 -0.002557 0.007752 0.003745 -0.023508 0.003362 0.006642 30O 1f-2 0.000720 -0.001943 0.006911 0.005653 -0.017947 -0.001753 30O 1f+3 -0.008739 0.005387 0.018287 -0.019094 0.007216 0.003843 30O 1f-3 0.002994 0.009995 -0.002849 -0.018272 -0.001963 0.013179 31O 1s 0.003812 -0.002462 0.002989 -0.010400 -0.019893 -0.006539 31O 2s 0.012297 -0.009352 0.011065 -0.036161 -0.067376 -0.021341 31O 3s -0.040502 0.061746 -0.082706 0.283358 0.545422 0.137961 31O 4s -0.257995 -0.041127 0.123533 -0.620540 -1.235582 -0.148185 31O 5s -0.596617 0.101787 -0.368112 0.243007 -0.726090 -0.158482 31O 1pz 0.087438 -0.050071 -0.038666 0.079455 0.084424 0.025473 31O 1px -0.070039 -0.010083 0.008214 0.058784 -0.036804 0.079533 31O 1py 0.014535 0.064737 -0.135230 0.073869 -0.002257 -0.010753 31O 2pz -0.214323 0.118324 -0.040229 -0.157605 -0.376326 -0.104824 31O 2px 0.329445 -0.033678 -0.017695 0.041252 0.334828 -0.131468 31O 2py 0.101725 -0.125986 0.208179 -0.084349 0.223614 0.022354 31O 3pz 0.032941 -0.009298 -0.278555 0.196128 -0.035787 0.118610 31O 3px 0.308520 0.104576 0.222038 0.027374 0.439361 0.042744 31O 3py 0.366831 0.250453 -0.414131 0.131672 0.244292 -0.386824 31O 1dz2 -0.003260 -0.001396 0.003528 -0.001300 -0.001968 -0.002309 31O 1dxz 0.000411 -0.002732 0.003482 -0.002977 0.001717 -0.004064 31O 1dyz 0.002892 -0.003772 0.002056 0.003414 0.008647 0.005593 31O 1dx2y2 -0.002248 -0.004143 0.002054 0.002227 0.001643 0.004224 31O 1dxy -0.004510 0.000043 -0.001476 0.004100 -0.003614 -0.000254 31O 2dz2 0.026773 0.015121 -0.025280 0.007848 0.024875 -0.063596 31O 2dxz 0.003337 -0.016436 0.071951 -0.069972 0.023438 -0.003175 31O 2dyz -0.021217 -0.021800 0.014094 0.048149 0.017531 0.060493 31O 2dx2y2 -0.099005 -0.030956 0.000133 0.060157 -0.107908 0.045681 31O 2dxy -0.079250 -0.039399 0.065905 0.016414 0.004135 0.087120 31O 1f0 0.017058 -0.002742 -0.013924 0.015131 0.019750 0.001751 31O 1f+1 -0.025456 -0.001222 0.035834 -0.023894 0.007280 -0.001905 31O 1f-1 -0.022194 0.003901 0.036746 -0.016880 0.004480 -0.000604 31O 1f+2 -0.000327 0.008249 -0.004499 -0.023417 0.002720 -0.004184 31O 1f-2 0.000003 -0.001464 -0.007132 0.006177 -0.017583 0.001169 31O 1f+3 0.006651 0.008749 -0.019288 -0.018056 0.006620 -0.002731 31O 1f-3 -0.006095 0.008389 0.002218 -0.018339 -0.004474 -0.011885 32O 1s 0.008159 0.011894 0.011985 0.009851 0.000264 0.029108 32O 2s 0.027578 0.040238 0.040530 0.032429 0.000831 0.097226 32O 3s -0.177447 -0.255577 -0.260873 -0.185428 -0.001801 -0.603556 32O 4s 0.254220 0.426093 0.380166 0.261268 0.011218 0.860952 32O 5s -0.305388 -0.816797 -0.471971 -0.693722 -0.102291 -1.421690 32O 1pz 0.008006 0.013298 0.032854 0.021794 -0.006577 0.075250 32O 1px -0.058600 -0.021621 -0.063842 -0.040965 -0.001420 -0.206201 32O 1py 0.020895 0.082021 0.041526 0.033513 0.008522 0.069412 32O 2pz -0.040802 -0.003877 -0.074728 -0.075816 -0.033514 -0.165025 32O 2px 0.122976 0.129805 0.155859 0.152205 0.005614 0.509924 32O 2py -0.070121 -0.218597 -0.132144 -0.147601 -0.024941 -0.282263 32O 3pz -0.175503 0.119281 0.156203 0.097246 0.050297 0.158060 32O 3px -0.174647 -0.227203 -0.152234 -0.121508 -0.018205 -0.305662 32O 3py 0.033258 0.015367 0.099565 -0.135848 -0.034771 -0.214957 32O 1dz2 0.004555 0.001783 -0.000364 0.002441 0.000263 0.003078 32O 1dxz -0.004505 0.003633 0.005129 0.003424 0.003054 0.005142 32O 1dyz -0.003412 -0.002414 -0.000576 0.000901 0.002971 0.000171 32O 1dx2y2 -0.003973 -0.004849 -0.003383 -0.003171 -0.000107 -0.004098 32O 1dxy 0.001843 -0.001293 0.005825 -0.001062 0.000251 -0.002514 32O 2dz2 -0.009412 -0.001184 -0.025113 -0.010802 -0.014384 -0.038194 32O 2dxz -0.014937 -0.017624 0.002312 -0.010853 0.030029 -0.019950 32O 2dyz -0.056803 0.008408 0.000655 -0.006893 -0.009326 -0.026069 32O 2dx2y2 -0.010741 -0.024858 -0.015574 -0.009779 0.005401 0.010623 32O 2dxy 0.017463 0.052584 0.061194 0.055054 0.001240 0.125824 32O 1f0 -0.000324 -0.004273 -0.002911 -0.005213 0.000394 -0.008297 32O 1f+1 -0.000800 0.001730 0.002316 0.002324 0.001528 0.005397 32O 1f-1 -0.001196 -0.001267 -0.002063 -0.006700 -0.001194 -0.004753 32O 1f+2 0.003819 0.000480 0.000121 -0.000818 -0.001178 0.001547 32O 1f-2 -0.002397 -0.002010 0.001228 -0.000898 0.000072 -0.006681 32O 1f+3 -0.000967 -0.001699 0.001296 -0.003286 -0.000756 -0.001780 32O 1f-3 0.003255 0.001158 0.003477 -0.000111 -0.000061 0.000115 33O 1s 0.010502 -0.019664 -0.006611 -0.006416 -0.006021 -0.004435 33O 2s 0.036299 -0.067178 -0.021089 -0.022210 -0.021086 -0.013734 33O 3s -0.256209 0.523680 0.126429 0.174844 0.214026 0.113114 33O 4s 0.387232 -1.142559 -0.026020 -0.398862 -0.647928 -0.440360 33O 5s -0.580046 0.019330 0.281297 -0.051852 -1.176922 -0.145721 33O 1pz 0.110533 0.002557 0.055447 -0.036095 -0.040202 0.152649 33O 1px -0.004664 0.038681 0.057731 -0.002754 -0.107350 -0.015164 33O 1py -0.059400 0.056451 -0.046614 0.022842 0.004173 0.163236 33O 2pz -0.178524 -0.148978 -0.032080 -0.009479 -0.168737 -0.379922 33O 2px 0.053521 0.189101 -0.149577 0.090254 0.451514 0.196250 33O 2py 0.006863 -0.111218 0.038967 -0.011888 -0.082141 -0.281723 33O 3pz 0.236212 -0.107665 0.475605 -0.129896 -0.276620 0.858680 33O 3px 0.373150 0.252125 -0.221846 0.087114 0.427094 -0.151844 33O 3py -0.228801 0.044357 -0.126422 0.043674 -0.172809 0.611853 33O 1dz2 -0.003417 -0.003854 -0.004152 -0.002186 -0.002814 -0.002198 33O 1dxz 0.001293 -0.001168 -0.001998 -0.000109 0.004663 0.008065 33O 1dyz 0.000899 -0.006345 -0.001973 -0.002184 -0.002761 -0.002975 33O 1dx2y2 -0.005229 0.001205 -0.002713 0.002337 -0.003983 0.000823 33O 1dxy -0.000422 0.000231 -0.000631 -0.000923 0.003061 0.005802 33O 2dz2 0.021557 -0.018175 -0.038426 -0.026948 0.069964 0.050448 33O 2dxz -0.011463 -0.045793 -0.069129 -0.000544 0.040835 -0.073841 33O 2dyz -0.016714 -0.070632 -0.069098 -0.010227 -0.023664 -0.008845 33O 2dx2y2 -0.089157 0.022456 0.012984 0.020918 -0.128273 0.044763 33O 2dxy 0.050272 -0.011581 0.028368 -0.020896 0.014332 -0.018180 33O 1f0 0.029125 0.024126 0.020292 -0.004434 -0.004977 0.002299 33O 1f+1 -0.022107 -0.013906 -0.014263 0.002453 0.021752 0.000306 33O 1f-1 -0.013538 0.000899 -0.001233 0.002348 -0.013125 0.006514 33O 1f+2 0.008972 -0.020317 0.000843 -0.010068 -0.009525 -0.010411 33O 1f-2 0.037251 -0.007889 0.014877 -0.016024 0.012499 -0.017919 33O 1f+3 0.013613 -0.024613 0.004659 -0.010159 -0.000329 -0.012202 33O 1f-3 0.024208 -0.006223 0.015076 -0.011365 0.010451 -0.000953 34O 1s -0.001877 0.008509 0.001361 0.001303 -0.001196 0.001738 34O 2s -0.004838 0.030037 0.005947 0.003685 -0.001989 0.006054 34O 3s 0.001129 -0.212599 -0.065313 -0.034407 0.076297 -0.045287 34O 4s 0.283900 0.267618 0.310979 0.216899 -0.367606 0.147812 34O 5s -0.059444 -0.193610 -0.798079 0.418786 -2.034925 -0.658184 34O 1pz -0.060246 0.051164 0.039752 -0.041658 -0.041461 -0.063451 34O 1px -0.052029 0.100965 0.016080 -0.093410 0.151032 -0.042819 34O 1py -0.049363 -0.034368 0.131350 -0.064853 0.053777 0.001901 34O 2pz 0.017682 -0.098246 0.008301 0.069209 0.069632 0.144246 34O 2px 0.202548 -0.200548 0.012763 0.249664 -0.680388 0.029116 34O 2py 0.052700 0.065200 -0.147005 0.069850 0.014052 0.035871 34O 3pz -0.241891 0.140397 0.367898 -0.102428 0.037509 0.001237 34O 3px 0.200068 0.300819 0.100921 0.020755 -0.722816 -0.254395 34O 3py -0.239472 -0.136305 0.232947 0.060351 0.410626 0.056872 34O 1dz2 0.004617 0.001023 -0.004326 -0.001376 0.010239 0.004603 34O 1dxz 0.000796 -0.000361 -0.003637 0.001217 0.002002 -0.000970 34O 1dyz 0.002958 0.000059 0.004393 0.003160 0.009195 0.000892 34O 1dx2y2 0.004067 -0.006193 -0.000496 0.008519 -0.008874 0.005469 34O 1dxy 0.000640 0.001640 0.004357 -0.002110 0.008780 -0.000273 34O 2dz2 0.047602 -0.026276 -0.037249 0.042097 0.107798 0.056214 34O 2dxz -0.080131 -0.008510 0.028015 0.023128 -0.003209 0.039985 34O 2dyz 0.057208 -0.005567 0.050065 0.012785 0.094520 0.015656 34O 2dx2y2 0.047580 -0.025966 0.015923 0.026677 -0.114081 0.025719 34O 2dxy 0.028877 -0.032433 0.078276 0.070574 0.089218 0.084534 34O 1f0 0.023736 -0.000261 -0.026322 0.006038 0.004126 0.004082 34O 1f+1 -0.000031 0.002170 -0.001965 -0.005991 0.019234 0.001932 34O 1f-1 0.007213 0.001042 -0.013025 0.012723 -0.005930 -0.001578 34O 1f+2 -0.027721 -0.003402 0.035914 0.005102 -0.002647 0.002135 34O 1f-2 0.006375 -0.004140 -0.029029 0.013539 -0.006738 0.000013 34O 1f+3 0.015258 -0.003573 -0.033660 0.015902 0.007991 0.006573 34O 1f-3 0.009665 -0.004961 -0.031970 0.025112 -0.022484 0.005199 35O 1s 0.002286 0.003137 0.001380 0.001164 0.003056 -0.006693 35O 2s 0.008941 0.011166 0.003945 0.004250 0.011509 -0.021153 35O 3s -0.083653 -0.070051 0.006397 -0.037604 -0.010362 0.079971 35O 4s 0.286347 0.240686 -0.217191 0.148409 -0.398371 0.444972 35O 5s -0.600471 -0.515468 -0.233796 0.078253 -1.658835 -0.233808 35O 1pz -0.103854 -0.023904 -0.054514 0.047095 0.030770 -0.048839 35O 1px -0.021991 0.006949 0.027939 -0.021941 0.189426 -0.150148 35O 1py 0.076817 -0.025502 0.062082 -0.028047 -0.032017 -0.156228 35O 2pz 0.092230 0.031185 0.083475 -0.063770 -0.126016 0.087931 35O 2px 0.029680 -0.073455 -0.216635 0.086818 -0.720590 0.529059 35O 2py -0.045408 0.051059 -0.102747 0.036035 -0.153146 0.351335 35O 3pz -0.083833 -0.243999 -0.284247 0.036851 0.028810 -0.426408 35O 3px -0.038329 -0.091857 -0.402502 0.095075 -0.469662 -0.312105 35O 3py 0.463967 -0.033650 0.009917 -0.183592 -0.476017 -0.532384 35O 1dz2 0.002467 -0.004140 0.005422 -0.005888 0.000404 -0.008286 35O 1dxz -0.001113 -0.001419 0.000863 -0.001751 -0.001894 -0.005356 35O 1dyz -0.004488 -0.009241 -0.001507 0.000237 -0.003288 -0.004845 35O 1dx2y2 0.004474 0.000111 -0.000208 0.000722 -0.011129 0.004807 35O 1dxy -0.000076 -0.001355 0.001001 -0.001202 -0.010975 0.002284 35O 2dz2 -0.000243 -0.004609 0.076090 -0.034670 0.001644 -0.055719 35O 2dxz -0.032349 -0.065824 0.020217 -0.014408 -0.004398 -0.108266 35O 2dyz -0.063823 -0.105335 0.007995 -0.019171 -0.001188 -0.098444 35O 2dx2y2 -0.003632 -0.080477 -0.072827 0.025433 -0.129668 0.045242 35O 2dxy 0.057376 -0.056289 0.015310 -0.045246 -0.087173 -0.074667 35O 1f0 0.021174 -0.004175 0.005897 -0.008282 0.002099 0.003665 35O 1f+1 -0.007592 0.007398 -0.002376 0.004753 0.016850 0.001111 35O 1f-1 -0.019654 -0.012457 -0.011826 0.002960 0.012894 0.001771 35O 1f+2 -0.037830 0.005154 -0.009121 0.008889 -0.003025 -0.007760 35O 1f-2 -0.014594 0.002139 -0.006664 0.007261 -0.010633 0.001846 35O 1f+3 0.047507 0.012518 0.040037 -0.015389 -0.022722 -0.022338 35O 1f-3 -0.016217 -0.001742 -0.006210 0.005351 0.023487 -0.003514 492 493 494 495 496 497 3.05154 3.06123 3.07352 3.08704 3.09213 3.09651 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s -0.000900 0.001001 -0.001246 -0.000201 0.000025 -0.001784 0Rh 2s 0.007278 -0.008433 0.010114 0.004237 0.000027 0.009127 0Rh 3s -0.000924 0.000821 -0.001267 0.001378 0.000167 -0.005050 0Rh 4s -0.038591 0.044603 -0.054271 -0.022278 0.000018 -0.048555 0Rh 5s 0.078462 -0.090582 0.118536 0.053748 -0.001173 0.076900 0Rh 6s -0.054815 0.063336 -0.125137 -0.070363 0.007109 0.038644 0Rh 7s -0.158897 -0.042786 -0.344152 0.225936 0.142906 -0.584761 0Rh 8s -0.074839 0.066531 -0.458557 -0.121798 0.178807 0.222479 0Rh 1pz -0.000924 -0.000195 -0.004124 0.001257 0.000868 0.005592 0Rh 1px -0.000123 0.000590 0.008861 0.002425 -0.002607 -0.004111 0Rh 1py -0.001195 -0.003893 0.001905 0.001658 -0.000407 -0.005222 0Rh 2pz 0.003686 0.000613 0.015071 -0.004909 -0.003294 -0.021462 0Rh 2px 0.000445 -0.002527 -0.033081 -0.008911 0.009670 0.015113 0Rh 2py 0.004855 0.014841 -0.007299 -0.006720 0.002139 0.020212 0Rh 3pz -0.010953 0.002231 -0.016479 0.012014 0.006441 0.046837 0Rh 3px -0.000487 0.011231 0.050802 0.010480 -0.013407 -0.017595 0Rh 3py -0.016237 -0.031216 0.015747 0.022576 -0.016435 -0.047165 0Rh 4pz 0.019131 -0.019039 -0.052141 -0.011500 -0.002161 -0.035541 0Rh 4px -0.001247 -0.030474 0.053672 0.029170 -0.022712 -0.052971 0Rh 4py 0.033936 0.025506 -0.011619 -0.048738 0.054103 0.043560 0Rh 5pz -0.037250 0.050837 0.150029 0.015793 -0.002378 0.047972 0Rh 5px 0.001639 0.057856 -0.216660 -0.086698 0.081065 0.173170 0Rh 5py -0.068964 -0.053030 0.019019 0.095996 -0.103276 -0.053239 0Rh 6pz 0.064000 0.440945 -1.109727 -0.246403 0.127106 0.609408 0Rh 6px 0.070353 0.421707 1.790206 0.044775 -0.756706 -0.376907 0Rh 6py 0.606990 -1.358521 -0.014216 0.627702 0.556306 -0.356764 0Rh 1dz2 -0.000203 -0.002620 0.000863 -0.016024 -0.009460 -0.015474 0Rh 1dxz 0.006025 -0.003255 0.014360 -0.005267 -0.012121 -0.006687 0Rh 1dyz -0.007460 0.011106 0.008506 0.019005 -0.000495 0.001775 0Rh 1dx2y2 -0.002536 0.000822 -0.017076 -0.022379 0.006066 0.009971 0Rh 1dxy 0.003216 -0.007827 -0.018908 0.003118 -0.006171 0.004124 0Rh 2dz2 -0.001707 -0.001115 0.002304 -0.003166 0.000336 -0.001105 0Rh 2dxz 0.001367 -0.000267 0.003709 -0.002066 -0.001585 -0.000400 0Rh 2dyz -0.004923 0.000345 0.003645 0.002234 0.005820 0.000247 0Rh 2dx2y2 -0.000848 0.000235 -0.005269 -0.002637 0.002264 -0.000977 0Rh 2dxy -0.001164 -0.001912 -0.003312 0.000209 0.001541 0.000898 0Rh 3dz2 0.008511 0.013408 -0.013475 0.065160 0.028342 0.053937 0Rh 3dxz -0.025084 0.011386 -0.062587 0.025891 0.045723 0.023164 0Rh 3dyz 0.046042 -0.036057 -0.043462 -0.069677 -0.025077 -0.006983 0Rh 3dx2y2 0.011835 -0.003401 0.078300 0.082769 -0.029684 -0.027477 0Rh 3dxy -0.004762 0.033415 0.074729 -0.010622 0.012379 -0.017133 0Rh 4dz2 -0.027207 -0.021212 0.039047 -0.069693 -0.008917 -0.036855 0Rh 4dxz 0.026928 -0.007018 0.080373 -0.034190 -0.041605 -0.017982 0Rh 4dyz -0.084136 0.011669 0.064782 0.048526 0.082644 0.009042 0Rh 4dx2y2 -0.015201 0.000160 -0.108392 -0.070294 0.043903 0.004901 0Rh 4dxy -0.013122 -0.039043 -0.074159 0.003163 0.014859 0.018828 0Rh 5dz2 0.067474 0.060867 -0.094304 0.072591 0.011723 -0.050582 0Rh 5dxz -0.009818 -0.028023 -0.128568 0.019149 -0.008749 0.004853 0Rh 5dyz 0.118964 0.151800 -0.038227 0.174560 -0.047058 -0.044851 0Rh 5dx2y2 -0.001867 0.039683 0.198280 0.019222 -0.046540 0.039533 0Rh 5dxy 0.043323 0.063229 0.050214 0.070552 -0.033887 -0.016663 0Rh 1f0 -0.003042 0.030417 0.005068 -0.003245 -0.018730 0.000646 0Rh 1f+1 -0.011512 0.002396 -0.007252 -0.008540 0.011217 0.004554 0Rh 1f-1 -0.008661 0.024059 -0.014907 0.006027 -0.019288 -0.004702 0Rh 1f+2 0.003185 0.016607 -0.032082 0.000430 0.009077 0.039371 0Rh 1f-2 -0.011409 0.008017 -0.011580 -0.024951 0.001567 0.014799 0Rh 1f+3 -0.001242 -0.011439 -0.017819 -0.005248 0.016323 0.001058 0Rh 1f-3 -0.010674 0.007018 -0.014174 0.015770 -0.015683 0.001727 1Rh 1s 0.000152 0.000995 0.001244 -0.000177 -0.000034 -0.001766 1Rh 2s -0.003569 -0.008336 -0.009965 0.003968 0.000720 0.009069 1Rh 3s -0.001263 0.000844 0.001346 0.001355 0.000234 -0.004972 1Rh 4s 0.018930 0.044087 0.053499 -0.020844 -0.003939 -0.048230 1Rh 5s -0.048476 -0.089344 -0.116642 0.050413 0.011488 0.076370 1Rh 6s 0.075249 0.061739 0.122819 -0.066293 -0.023722 0.038774 1Rh 7s -0.104606 -0.044188 0.345723 0.237692 -0.075194 -0.579149 1Rh 8s 0.153708 0.064411 0.455977 -0.102592 -0.208514 0.231065 1Rh 1pz -0.000451 0.000214 -0.003769 -0.001368 0.000813 -0.005631 1Rh 1px 0.002315 -0.000654 0.008907 -0.002094 -0.003185 0.004244 1Rh 1py 0.000002 0.003921 0.001711 -0.001622 -0.000917 0.005160 1Rh 2pz 0.001812 -0.000682 0.013719 0.005333 -0.003071 0.021570 1Rh 2px -0.008713 0.002768 -0.033266 0.007684 0.011788 -0.015615 1Rh 2py 0.000290 -0.014929 -0.006550 0.006492 0.004133 -0.019959 1Rh 3pz -0.005044 -0.002094 -0.013686 -0.012957 0.005775 -0.046206 1Rh 3px 0.015029 -0.011625 0.051384 -0.008839 -0.015769 0.018480 1Rh 3py -0.006600 0.031062 0.014012 -0.020221 -0.021608 0.046307 1Rh 4pz 0.004208 0.018968 -0.053923 0.012399 -0.001342 0.031802 1Rh 4px 0.006303 0.030172 0.052360 -0.025941 -0.030241 0.053108 1Rh 4py 0.026050 -0.024149 -0.009887 0.040353 0.061470 -0.041909 1Rh 5pz 0.005024 -0.050753 0.152505 -0.016892 -0.003577 -0.040305 1Rh 5px -0.041081 -0.056261 -0.213512 0.075083 0.103161 -0.173611 1Rh 5py -0.052241 0.050132 0.016183 -0.079916 -0.116720 0.050800 1Rh 6pz 0.359318 -0.441245 -1.069081 0.227925 0.203110 -0.630453 1Rh 6px 0.406520 -0.443080 1.801230 0.064494 -0.766408 0.356024 1Rh 6py 0.685070 1.384464 -0.017029 -0.697159 0.424120 0.353278 1Rh 1dz2 -0.000845 -0.002133 -0.000877 -0.017187 0.007511 -0.014627 1Rh 1dxz -0.011511 -0.002760 -0.014447 -0.007201 0.011360 -0.006335 1Rh 1dyz 0.005858 0.011652 -0.008134 0.018903 0.002895 0.001486 1Rh 1dx2y2 0.008088 0.000731 0.016552 -0.020986 -0.010069 0.008893 1Rh 1dxy 0.000073 -0.007829 0.018921 0.001972 0.006310 0.004633 1Rh 2dz2 0.002021 -0.001041 -0.002362 -0.003025 -0.000741 -0.001099 1Rh 2dxz -0.001680 -0.000239 -0.003760 -0.002231 0.001244 -0.000507 1Rh 2dyz 0.004649 0.000428 -0.003597 0.003150 -0.005415 0.000059 1Rh 2dx2y2 0.000828 0.000266 0.005284 -0.002323 -0.002641 -0.000962 1Rh 2dxy 0.001208 -0.001911 0.003298 0.000408 -0.001486 0.000988 1Rh 3dz2 -0.006585 0.011540 0.013783 0.068184 -0.020322 0.051240 1Rh 3dxz 0.043765 0.009705 0.063088 0.032779 -0.041791 0.022530 1Rh 3dyz -0.039759 -0.038155 0.042091 -0.073553 0.015708 -0.005206 1Rh 3dx2y2 -0.029274 -0.003260 -0.076701 0.076914 0.044073 -0.024138 1Rh 3dxy -0.005806 0.033419 -0.074703 -0.007921 -0.013047 -0.019152 1Rh 4dz2 0.029025 -0.019493 -0.039939 -0.069290 0.000170 -0.035694 1Rh 4dxz -0.039075 -0.005988 -0.081106 -0.039516 0.036139 -0.019051 1Rh 4dyz 0.077566 0.013684 -0.063920 0.061659 -0.074633 0.005940 1Rh 4dx2y2 0.023736 0.000534 0.107690 -0.063490 -0.055133 0.003776 1Rh 4dxy 0.018422 -0.038982 0.073891 0.004641 -0.014374 0.020799 1Rh 5dz2 -0.072244 0.059981 0.096556 0.071420 -0.001609 -0.046350 1Rh 5dxz 0.001539 -0.025568 0.128827 0.014033 0.011927 0.012791 1Rh 5dyz -0.108020 0.149025 0.043301 0.163761 0.065960 -0.043470 1Rh 5dx2y2 0.016449 0.036749 -0.197798 0.016522 0.045880 0.029260 1Rh 5dxy -0.026113 0.061988 -0.047817 0.065284 0.040789 -0.018883 1Rh 1f0 -0.001952 -0.031217 0.006064 0.006003 -0.017240 -0.001477 1Rh 1f+1 -0.014187 -0.001893 -0.007456 0.006743 0.012704 -0.003638 1Rh 1f-1 -0.026911 -0.024778 -0.016246 -0.003078 -0.018971 0.004446 1Rh 1f+2 0.006404 -0.016455 -0.029754 -0.001818 0.010028 -0.039499 1Rh 1f-2 -0.018611 -0.008139 -0.010193 0.024279 0.005646 -0.014836 1Rh 1f+3 -0.006633 0.012162 -0.019328 0.003011 0.016911 0.000024 1Rh 1f-3 -0.012610 -0.007425 -0.014069 -0.013548 -0.017053 -0.001881 2C 1s 0.017459 -0.008592 0.004843 -0.008188 -0.005748 0.013932 2C 2s 0.047460 -0.023729 0.013124 -0.024541 -0.013309 0.039231 2C 3s 0.293330 -0.088347 -0.036381 0.094094 -0.089340 -0.048217 2C 4s -2.480754 0.948488 -0.023789 0.099792 0.603555 -0.637742 2C 5s 0.885718 -0.147101 -0.810642 -0.386281 0.365567 -0.207426 2C 1pz 0.086522 -0.029348 0.006064 0.057975 -0.075379 0.025975 2C 1px -0.008872 0.030094 0.014468 0.021645 -0.008039 -0.010500 2C 1py 0.093794 -0.046406 0.022595 -0.019374 -0.032570 -0.026289 2C 2pz -0.380853 0.128486 0.353297 -0.558992 -0.037933 0.139130 2C 2px 0.162690 -0.234276 -0.125135 -0.209635 -0.174418 0.222328 2C 2py -0.482976 0.146232 0.026794 0.250615 -0.141576 0.403667 2C 3pz 0.027889 -0.000112 -0.030748 -0.070045 0.066473 -0.245475 2C 3px 0.107032 -0.015571 -0.205505 -0.151186 0.102378 -0.025537 2C 3py -0.101835 0.094818 -0.195159 0.159219 -0.018411 0.097992 2C 1dz2 0.100527 0.036309 -0.119818 0.097824 0.045753 0.213257 2C 1dxz -0.020805 -0.039108 0.089151 0.034337 -0.016833 -0.047412 2C 1dyz 0.003001 -0.051378 0.089847 -0.110887 -0.010167 -0.090092 2C 1dx2y2 -0.217798 0.098072 0.116661 0.253931 0.053789 -0.030351 2C 1dxy -0.189254 0.118430 0.054112 0.296103 -0.005963 0.094916 2C 2dz2 -0.099378 0.009054 0.250769 -0.248343 -0.111029 -0.158943 2C 2dxz -0.100458 0.043868 -0.094399 0.015121 0.110834 0.071461 2C 2dyz -0.096231 0.022789 0.017869 0.106052 -0.306464 0.352383 2C 2dx2y2 0.252610 -0.163175 -0.175974 -0.138843 -0.232235 0.090673 2C 2dxy 0.254218 -0.178325 0.016637 -0.462251 0.126693 -0.134897 2C 1f0 -0.040048 -0.013897 0.012111 -0.008828 -0.139713 -0.023663 2C 1f+1 0.014272 -0.025613 -0.029702 -0.082208 0.032761 -0.045288 2C 1f-1 -0.015442 -0.028142 0.073468 0.049310 -0.167535 0.053242 2C 1f+2 -0.007297 -0.039148 -0.001397 -0.052268 -0.051227 -0.016823 2C 1f-2 -0.090374 0.073334 -0.044990 -0.075734 0.132046 -0.059630 2C 1f+3 0.048870 0.019950 0.025753 -0.029814 -0.001063 0.053930 2C 1f-3 0.076369 -0.015686 0.024215 -0.014579 -0.028903 0.028965 3C 1s -0.003577 0.013568 0.009483 0.003277 0.000815 0.011195 3C 2s -0.010122 0.034285 0.024032 0.011104 -0.000319 0.032062 3C 3s -0.072775 0.353804 0.161690 -0.012469 0.111653 -0.020113 3C 4s 0.444199 -2.527239 -1.397658 -0.177058 -0.554546 -0.858331 3C 5s -0.338973 0.828534 0.279590 -0.110823 -0.145159 -1.034787 3C 1pz -0.016904 0.106818 0.054077 0.047277 0.027439 0.001098 3C 1px 0.017792 -0.024080 -0.000131 0.015736 -0.006593 0.001977 3C 1py 0.032471 -0.140778 -0.077036 0.053550 -0.072766 0.003069 3C 2pz -0.079887 -0.713337 -0.343380 -0.488172 -0.232271 -0.176981 3C 2px -0.243530 0.350761 0.040875 -0.262835 0.308228 -0.094675 3C 2py -0.114692 0.626398 0.212431 -0.256103 0.264563 -0.032421 3C 3pz -0.077925 -0.056520 0.034138 -0.296620 -0.059806 -0.106479 3C 3px -0.113577 0.134785 -0.116362 -0.141091 0.174509 -0.485579 3C 3py -0.065440 -0.034367 -0.078423 -0.076936 0.038585 0.202584 3C 1dz2 -0.109614 0.133209 0.058719 0.453333 -0.108760 -0.025436 3C 1dxz -0.122305 0.221205 0.064516 0.028304 0.084087 -0.111896 3C 1dyz 0.012793 0.001149 0.005410 -0.064611 0.012825 -0.032521 3C 1dx2y2 0.077924 -0.195371 0.018075 0.008792 -0.141414 0.248750 3C 1dxy -0.131610 0.161800 -0.067803 -0.170834 0.175205 -0.392657 3C 2dz2 -0.073147 -0.116369 -0.070792 -0.604079 0.069609 -0.063148 3C 2dxz 0.270177 -0.704486 -0.328790 0.219942 -0.384364 0.087585 3C 2dyz -0.063126 -0.113676 -0.157912 0.235859 -0.204461 -0.021045 3C 2dx2y2 0.060261 0.363695 0.057489 0.044388 0.262726 -0.139636 3C 2dxy 0.264695 -0.183991 0.075544 0.269336 -0.171776 0.345515 3C 1f0 -0.010958 -0.065623 -0.069578 0.071658 -0.063430 -0.037779 3C 1f+1 0.008850 0.051774 0.022149 -0.022542 0.021934 -0.050170 3C 1f-1 -0.104370 -0.097141 -0.065563 0.140416 -0.134728 -0.064381 3C 1f+2 -0.026077 -0.061527 -0.077428 0.088846 -0.088391 -0.091996 3C 1f-2 -0.057258 0.149576 0.138830 -0.008932 0.024692 0.146560 3C 1f+3 -0.045061 -0.045112 -0.038723 0.060032 -0.059367 -0.074277 3C 1f-3 0.112812 -0.146178 -0.119208 0.025636 -0.019185 -0.053885 4C 1s -0.000648 0.002961 0.002117 0.006369 -0.005590 -0.001753 4C 2s 0.002648 0.007518 0.006631 0.020022 -0.018661 -0.004714 4C 3s -0.706846 0.114768 0.089222 -0.114028 -0.069219 0.141243 4C 4s 3.133010 -0.576198 -0.755505 0.083505 0.836174 -0.635729 4C 5s 1.117215 -0.485908 -0.337078 -0.509617 0.492581 0.220725 4C 1pz 0.098913 -0.061080 -0.012035 -0.060530 -0.011013 0.056270 4C 1px 0.047317 -0.016510 0.045321 -0.009197 -0.085443 0.024648 4C 1py 0.063718 -0.041215 0.004691 -0.003104 -0.055483 0.063156 4C 2pz -0.310742 0.304601 0.106904 -0.042455 0.123728 -0.063525 4C 2px 0.027617 -0.160956 -0.166530 -0.093132 0.582195 0.001662 4C 2py -0.150408 0.086750 0.015000 -0.261547 0.303170 -0.180017 4C 3pz 0.549728 -0.094653 -0.871987 -0.323316 0.550218 -0.211222 4C 3px 0.431955 -0.355265 0.346594 0.270034 -0.870757 0.364389 4C 3py 0.797506 -0.282261 -0.285228 -0.250570 0.366285 -0.179154 4C 1dz2 0.088036 -0.012253 0.014974 0.000732 0.078337 0.045070 4C 1dxz 0.182834 -0.090711 0.046915 0.104510 -0.118566 0.126296 4C 1dyz 0.026475 -0.042073 0.056796 -0.045971 -0.146919 0.110369 4C 1dx2y2 -0.070666 0.018466 0.000927 0.123675 0.016388 0.089336 4C 1dxy -0.150217 0.082148 0.111449 0.051784 -0.238867 -0.042268 4C 2dz2 0.032061 -0.032243 0.078405 0.032587 -0.444768 -0.077769 4C 2dxz -0.289369 0.021634 -0.124343 -0.228974 0.416314 -0.160721 4C 2dyz 0.367221 -0.013263 -0.141742 0.116927 0.311123 -0.131941 4C 2dx2y2 0.399522 -0.072442 -0.050912 -0.456302 0.270841 -0.235798 4C 2dxy 0.345964 -0.302648 -0.320413 -0.021577 0.546241 -0.002734 4C 1f0 -0.053980 -0.035773 -0.053541 0.091536 -0.066855 0.037600 4C 1f+1 -0.235365 0.139251 0.061000 0.123738 -0.074552 0.020687 4C 1f-1 -0.028531 0.032762 0.012983 0.036659 -0.116113 0.003645 4C 1f+2 0.058937 -0.015977 0.017508 0.004322 -0.006929 0.024435 4C 1f-2 -0.020767 -0.023725 0.043854 0.004186 -0.009822 -0.050524 4C 1f+3 -0.011715 -0.047311 0.071156 0.091856 -0.027921 -0.043622 4C 1f-3 -0.112063 0.026161 0.078874 0.004930 -0.103539 -0.003774 5C 1s 0.001489 0.003505 0.004427 -0.006747 0.005572 0.000702 5C 2s 0.002599 0.014164 0.015797 -0.021358 0.016982 0.002229 5C 3s 0.420821 -0.369583 -0.072738 -0.091892 0.280416 0.165401 5C 4s -1.916917 1.387534 -0.000622 0.791858 -1.630157 -0.740133 5C 5s -0.978449 0.021297 -0.451214 1.011389 -1.393779 -0.033973 5C 1pz 0.004255 0.064137 0.016606 -0.013066 0.020249 0.037157 5C 1px -0.014520 0.109534 0.143632 -0.029633 0.084084 0.001853 5C 1py -0.022457 -0.136644 -0.063669 -0.033823 -0.052660 -0.069228 5C 2pz -0.329723 -0.480717 -0.271874 0.089544 -0.477266 -0.292259 5C 2px -0.075391 -0.648116 -0.698584 0.475658 -0.644227 -0.158390 5C 2py 0.464332 0.941539 0.616472 0.121323 0.775475 0.548012 5C 3pz -0.085409 -0.085502 -0.364048 0.438565 -0.444594 -0.818152 5C 3px -0.201457 1.154880 0.992140 -0.315879 0.168907 0.387265 5C 3py 0.703284 -0.247249 0.075568 -0.173835 0.733280 1.044695 5C 1dz2 -0.172356 -0.048878 -0.123644 0.198535 -0.178669 -0.144762 5C 1dxz -0.196281 0.187218 0.149714 0.101853 -0.127508 0.170078 5C 1dyz 0.022521 0.014022 -0.029711 -0.049795 -0.039613 -0.027885 5C 1dx2y2 -0.020079 0.046830 0.113128 -0.034147 0.073158 0.113801 5C 1dxy 0.005335 -0.227863 -0.168129 0.206748 -0.182850 -0.009785 5C 2dz2 0.513876 -0.043793 0.223785 -0.590799 0.508955 0.248140 5C 2dxz 0.326367 -0.065074 -0.071872 -0.308287 0.410344 0.043809 5C 2dyz 0.187121 -0.335351 -0.128153 0.177505 0.139426 0.042306 5C 2dx2y2 -0.252979 -0.469343 -0.639091 0.315555 -0.524884 -0.537523 5C 2dxy -0.205256 0.440685 0.386183 -0.576797 0.351772 -0.088819 5C 1f0 0.024380 -0.034581 -0.035615 0.049942 0.034271 0.051843 5C 1f+1 0.095629 0.035667 0.095808 -0.002018 0.081914 0.115555 5C 1f-1 -0.031300 -0.075930 -0.018753 -0.016283 -0.043051 0.018728 5C 1f+2 0.068465 -0.124305 -0.019852 0.016871 -0.077986 0.086642 5C 1f-2 -0.109727 0.145758 0.039706 0.000151 -0.057759 -0.028253 5C 1f+3 0.098042 -0.014861 0.118898 -0.162788 0.065131 0.084494 5C 1f-3 -0.073775 0.000203 -0.002744 0.196508 -0.165799 0.006046 6C 1s -0.003215 0.003462 -0.004552 -0.005835 -0.006539 0.000298 6C 2s -0.008480 0.014206 -0.016257 -0.018526 -0.020120 0.000981 6C 3s -0.268384 -0.397621 0.073831 -0.052096 -0.291580 0.151258 6C 4s 1.288745 1.509825 -0.004310 0.549689 1.737491 -0.644400 6C 5s 1.020096 0.068210 0.461485 0.790146 1.527023 0.048067 6C 1pz 0.003269 -0.065995 0.018397 0.009362 0.025472 -0.036244 6C 1px -0.003555 -0.108354 0.142561 0.014387 0.089614 0.004352 6C 1py -0.022999 0.139249 -0.065652 0.042030 -0.052708 0.067503 6C 2pz -0.474822 0.481657 -0.277774 -0.012011 -0.503786 0.263839 6C 2px -0.132770 0.634476 -0.719832 -0.378770 -0.718928 0.142345 6C 2py 0.703439 -0.943181 0.629426 -0.241125 0.777692 -0.507906 6C 3pz -0.061292 0.065297 -0.368868 -0.360569 -0.532559 0.774916 6C 3px -0.040676 -1.164586 1.002721 0.264954 0.247040 -0.357520 6C 3py 0.622617 0.285637 0.074260 0.064745 0.773249 -1.014248 6C 1dz2 0.164736 -0.041574 0.128471 0.168001 0.210733 -0.134047 6C 1dxz 0.199601 0.193013 -0.149902 0.085735 0.135734 0.168878 6C 1dyz -0.059660 0.012425 0.028124 -0.055730 0.033580 -0.020662 6C 1dx2y2 0.004202 0.041389 -0.115329 -0.022424 -0.078118 0.106896 6C 1dxy -0.000867 -0.225299 0.172498 0.176194 0.218635 -0.003404 6C 2dz2 -0.436612 -0.064585 -0.238391 -0.512811 -0.600266 0.230101 6C 2dxz -0.403278 -0.084452 0.070083 -0.241158 -0.451209 0.020875 6C 2dyz -0.073717 -0.346158 0.139182 0.196968 -0.110226 0.018591 6C 2dx2y2 0.295246 -0.451649 0.660346 0.233817 0.582368 -0.517812 6C 2dxy 0.245133 0.429263 -0.395142 -0.521002 -0.441545 -0.100807 6C 1f0 0.002110 0.036089 -0.037823 -0.054585 0.025829 -0.050802 6C 1f+1 0.104285 -0.030372 0.099095 -0.010126 0.083957 -0.112368 6C 1f-1 -0.025155 0.075284 -0.016489 0.021970 -0.040507 -0.018877 6C 1f+2 0.062490 0.126527 -0.017162 -0.004342 -0.080788 -0.093107 6C 1f-2 -0.107042 -0.148930 0.036253 0.006838 -0.055253 0.026369 6C 1f+3 0.080075 0.021607 0.121565 0.151981 0.089737 -0.079084 6C 1f-3 -0.078417 -0.006666 -0.005465 -0.169148 -0.193032 -0.015297 7C 1s -0.001767 0.003039 -0.001953 0.005497 0.006366 -0.001782 7C 2s -0.011699 0.007729 -0.006190 0.017119 0.021104 -0.004757 7C 3s 0.934580 0.123762 -0.094292 -0.121135 0.041151 0.129572 7C 4s -3.982778 -0.625377 0.774925 0.201377 -0.769008 -0.578614 7C 5s -1.030920 -0.498393 0.344245 -0.433286 -0.547348 0.266925 7C 1pz 0.128403 0.062583 -0.009736 0.059599 -0.001397 -0.054534 7C 1px 0.066100 0.015183 0.045867 0.020513 -0.081180 -0.022934 7C 1py 0.088015 0.041175 0.006153 0.009776 -0.052751 -0.062822 7C 2pz -0.629989 -0.314803 0.111863 0.060930 0.132752 0.027926 7C 2px -0.183288 0.169951 -0.179012 0.007477 0.585639 0.008012 7C 2py -0.422615 -0.089749 0.014176 0.237223 0.335131 0.162435 7C 3pz 0.768457 0.111993 -0.858058 0.263851 0.577754 0.169873 7C 3px 0.707071 0.337358 0.356439 -0.151556 -0.881516 -0.369626 7C 3py 1.041721 0.301851 -0.276946 0.203959 0.388008 0.173341 7C 1dz2 -0.070933 -0.017051 -0.013057 0.009073 -0.078460 0.043678 7C 1dxz -0.241833 -0.091963 -0.052083 0.086222 0.128632 0.128355 7C 1dyz -0.018874 -0.038330 -0.061454 -0.066389 0.134751 0.110784 7C 1dx2y2 0.100419 0.015197 -0.001543 0.127549 -0.003914 0.083838 7C 1dxy 0.090436 0.089302 -0.111276 0.015627 0.238591 -0.043644 7C 2dz2 -0.202551 -0.020124 -0.085887 -0.024197 0.442267 -0.073653 7C 2dxz 0.457033 0.016926 0.137836 -0.153816 -0.440775 -0.185346 7C 2dyz -0.504372 -0.027185 0.146594 0.163688 -0.279380 -0.130684 7C 2dx2y2 -0.403092 -0.076894 0.049003 -0.424021 -0.315011 -0.220799 7C 2dxy -0.245895 -0.313417 0.330655 0.060020 -0.534854 -0.004214 7C 1f0 -0.060392 0.035962 -0.055374 -0.079408 -0.076871 -0.040169 7C 1f+1 -0.268274 -0.143799 0.058834 -0.113419 -0.086286 -0.020026 7C 1f-1 0.024432 -0.034824 0.016278 -0.018400 -0.118361 -0.005305 7C 1f+2 0.076539 0.013800 0.018652 -0.002985 -0.007041 -0.029100 7C 1f-2 -0.054114 0.021606 0.042065 -0.004122 -0.012899 0.050341 7C 1f+3 -0.020821 0.046826 0.068572 -0.086940 -0.043842 0.039583 7C 1f-3 -0.114632 -0.031234 0.078810 0.007835 -0.098552 0.007914 8C 1s 0.007015 0.014016 -0.009627 0.003649 -0.001064 0.011140 8C 2s 0.020739 0.035481 -0.024375 0.011732 -0.000056 0.032094 8C 3s -0.037497 0.364037 -0.164253 0.005471 -0.117908 -0.026783 8C 4s -0.122371 -2.598226 1.425297 -0.282741 0.597694 -0.833235 8C 5s 0.230707 0.861146 -0.280717 -0.124063 0.139143 -1.032404 8C 1pz 0.006119 -0.109154 0.053635 -0.051925 0.022168 0.001206 8C 1px 0.018621 0.022273 0.002214 -0.012589 -0.008948 -0.005139 8C 1py 0.001712 0.143888 -0.077798 -0.041003 -0.082966 -0.009102 8C 2pz -0.308545 0.720849 -0.342529 0.522126 -0.166431 0.167237 8C 2px -0.268682 -0.341132 0.027958 0.199313 0.351689 0.130581 8C 2py 0.238420 -0.637549 0.222659 0.210562 0.302805 0.044183 8C 3pz -0.071577 0.056766 0.038597 0.302564 -0.015806 0.110682 8C 3px -0.100527 -0.137936 -0.122476 0.114210 0.186449 0.493595 8C 3py -0.106197 0.035702 -0.079835 0.071213 0.058378 -0.200563 8C 1dz2 0.094894 0.144317 -0.053211 0.433172 0.173450 -0.026319 8C 1dxz 0.109058 0.221627 -0.056992 0.038542 -0.081480 -0.120472 8C 1dyz -0.023387 0.001039 -0.005559 -0.064259 -0.024082 -0.036304 8C 1dx2y2 -0.073561 -0.202485 -0.026297 -0.011489 0.143253 0.259604 8C 1dxy 0.127753 0.162241 0.077557 -0.143812 -0.192646 -0.400120 8C 2dz2 0.064657 -0.131891 0.068566 -0.585467 -0.150201 -0.064211 8C 2dxz -0.178326 -0.696708 0.319743 0.158442 0.419846 0.117456 8C 2dyz -0.019775 -0.110393 0.160255 0.204772 0.249440 -0.004620 8C 2dx2y2 -0.163964 0.370855 -0.053129 0.082041 -0.260715 -0.156619 8C 2dxy -0.295892 -0.177792 -0.091643 0.235807 0.204727 0.365644 8C 1f0 0.010701 0.065538 -0.070517 -0.060822 -0.076937 0.034176 8C 1f+1 0.008791 -0.053477 0.021062 0.019352 0.025676 0.049607 8C 1f-1 -0.106693 0.093702 -0.068264 -0.118385 -0.158734 0.060187 8C 1f+2 -0.039245 0.057819 -0.080931 -0.073419 -0.103802 0.086256 8C 1f-2 -0.035280 -0.149789 0.142265 0.001605 0.031529 -0.142668 8C 1f+3 -0.058298 0.041780 -0.040953 -0.050479 -0.069033 0.074143 8C 1f-3 0.103532 0.147044 -0.120244 -0.019994 -0.027199 0.048126 9C 1s -0.017934 -0.008543 -0.005216 -0.008999 0.004142 0.013933 9C 2s -0.046891 -0.023587 -0.014160 -0.026426 0.008599 0.039246 9C 3s -0.472606 -0.092499 0.037800 0.085243 0.107675 -0.049430 9C 4s 3.327532 0.967368 0.038028 0.159782 -0.583400 -0.628724 9C 5s -1.320421 -0.167466 0.791608 -0.360659 -0.419598 -0.183310 9C 1pz 0.151933 0.029680 0.006288 -0.047850 -0.083070 -0.024931 9C 1px -0.011095 -0.030925 0.013812 -0.020137 -0.012403 0.008378 9C 1py 0.128921 0.047529 0.023107 0.022378 -0.032166 0.027066 9C 2pz -0.780267 -0.140839 0.366823 0.583103 0.057050 -0.146152 9C 2px 0.216306 0.234991 -0.118271 0.236750 -0.123543 -0.207033 9C 2py -0.724638 -0.159220 0.031200 -0.205147 -0.159587 -0.419980 9C 3pz 0.085791 0.002474 -0.029504 0.064905 0.071640 0.245146 9C 3px 0.192415 0.026159 -0.196307 0.141567 0.119836 0.033857 9C 3py -0.049311 -0.095470 -0.189642 -0.148364 -0.036489 -0.106996 9C 1dz2 -0.149619 0.031074 0.117146 0.102283 -0.036288 0.212777 9C 1dxz 0.038903 -0.036953 -0.084111 0.034016 0.023335 -0.045595 9C 1dyz 0.033099 -0.049619 -0.087816 -0.110688 -0.002644 -0.091449 9C 1dx2y2 0.299342 0.100029 -0.110664 0.254735 -0.015568 -0.031836 9C 1dxy 0.231646 0.125908 -0.055135 0.299856 0.044311 0.092767 9C 2dz2 0.206622 0.015893 -0.252865 -0.269019 0.075537 -0.156765 9C 2dxz 0.169844 0.047859 0.092469 0.026474 -0.112647 0.068715 9C 2dyz 0.112224 0.031425 -0.028177 0.052541 0.301069 0.357989 9C 2dx2y2 -0.447848 -0.160777 0.170394 -0.155933 0.203902 0.085084 9C 2dxy -0.257361 -0.194190 -0.014938 -0.443328 -0.179390 -0.137954 9C 1f0 -0.014758 0.008976 0.013021 0.028757 -0.135024 0.020377 9C 1f+1 -0.012443 0.026401 -0.030313 0.078732 0.041252 0.041013 9C 1f-1 -0.002460 0.024597 0.074603 -0.022938 -0.170493 -0.053713 9C 1f+2 -0.011779 0.037375 -0.001625 0.058406 -0.043816 0.013295 9C 1f-2 -0.137402 -0.070293 -0.046309 0.057983 0.138385 0.059737 9C 1f+3 0.048715 -0.019672 0.026591 0.029871 0.006272 -0.052684 9C 1f-3 0.108560 0.016217 0.027275 0.020409 -0.025824 -0.030229 10H 1s -0.083282 0.055685 -0.007262 -0.006156 0.088263 -0.064897 10H 2s 0.397270 -0.125897 0.298515 -0.139000 0.002844 0.226712 10H 3s -0.244391 0.064455 0.109611 0.117160 -0.023368 -0.103039 10H 1pz 0.131435 -0.028488 0.079249 -0.079910 0.044125 0.011887 10H 1px -0.244951 0.117582 -0.083737 0.080236 0.076293 -0.167071 10H 1py -0.004554 0.040264 0.021548 0.005854 -0.018219 0.030884 11H 1s 0.007480 -0.018146 0.004966 -0.018111 0.057404 -0.039291 11H 2s 0.886769 -0.433755 0.221084 -0.527129 -0.452847 0.384881 11H 3s -0.203835 0.049531 0.068595 0.065920 0.017651 -0.148073 11H 1pz 0.315288 -0.135878 0.099605 -0.133804 -0.127424 0.119582 11H 1px 0.231852 -0.092061 0.037215 -0.101201 -0.140030 0.165595 11H 1py -0.078842 0.040377 -0.025777 0.075314 0.024339 -0.082159 12H 1s -0.095149 0.041078 -0.030678 0.052478 -0.038871 0.012588 12H 2s 0.597043 -0.318455 0.044643 0.164948 -0.608093 0.680064 12H 3s -0.201946 0.083168 -0.011392 0.099838 0.009124 0.026519 12H 1pz -0.051982 -0.013562 -0.023109 0.115375 -0.132637 0.015456 12H 1px 0.172979 -0.105805 0.024400 -0.025020 -0.143397 0.118485 12H 1py 0.261356 -0.151126 0.037862 0.037198 -0.227052 0.248496 13H 1s 0.039289 -0.197018 -0.112050 0.045070 -0.082753 -0.054919 13H 2s -0.023455 -0.142952 0.045623 0.174820 -0.383225 0.355690 13H 3s 0.065297 -0.229519 -0.022777 0.004414 -0.072758 0.113246 13H 1pz -0.086338 0.081147 0.074064 0.009286 -0.066129 0.055878 13H 1px 0.016049 -0.142023 -0.097410 -0.066379 0.000871 -0.123979 13H 1py -0.037014 0.152063 0.059835 -0.088916 0.135568 0.001279 14H 1s -0.061652 0.050887 0.022816 -0.075175 0.019720 -0.000549 14H 2s -0.491414 0.988818 0.522111 -0.482044 0.428068 0.116550 14H 3s 0.051436 -0.141065 -0.101421 -0.101310 0.068427 -0.118132 14H 1pz -0.116824 0.161571 0.087679 -0.080865 0.048700 0.073149 14H 1px -0.143969 0.400729 0.226307 -0.092736 0.147114 0.096140 14H 1py 0.083824 -0.187428 -0.118285 0.135835 -0.108870 0.007666 15H 1s 0.076298 -0.040284 -0.027827 0.022379 0.001731 -0.009755 15H 2s -0.015531 0.894965 0.606846 0.318459 0.298188 0.418524 15H 3s 0.084135 -0.171360 -0.060606 0.039836 0.027758 -0.016927 15H 1pz 0.071265 -0.126697 -0.086739 -0.036838 0.002314 -0.104023 15H 1px -0.029982 0.193329 0.097045 -0.038112 0.105347 -0.002401 15H 1py -0.049472 -0.350029 -0.238064 -0.079145 -0.149144 -0.177960 16H 1s 0.019269 -0.028971 -0.005536 0.002428 -0.017901 0.010903 16H 2s -0.096831 0.196431 0.893414 0.193797 -0.008802 -0.484317 16H 3s 0.033254 -0.005649 -0.050486 -0.010579 -0.020268 0.045495 16H 1pz -0.028208 0.058347 0.376266 0.088438 -0.001476 -0.204169 16H 1px 0.019092 -0.006130 0.006371 0.003600 -0.041307 -0.014379 16H 1py -0.013436 0.018213 0.062620 0.017399 0.027262 -0.031283 17H 1s 0.009180 -0.016809 0.009480 0.028181 0.014643 -0.024919 17H 2s 0.059416 0.165974 0.679527 0.011593 -0.411607 -0.322288 17H 3s -0.009298 -0.046937 -0.024360 0.026513 0.036256 -0.014897 17H 1pz -0.024684 -0.047731 -0.234561 -0.028940 0.105436 0.117327 17H 1px -0.023575 -0.022649 -0.164988 -0.002549 0.116894 0.070820 17H 1py 0.028045 0.014903 0.072612 -0.002877 -0.071918 -0.042780 18H 1s -0.010137 -0.016880 -0.008647 0.029339 -0.008643 -0.023656 18H 2s -0.262559 0.168549 -0.679416 -0.041759 0.413796 -0.328793 18H 3s 0.029319 -0.047450 0.028013 0.032511 -0.030439 -0.016522 18H 1pz -0.098782 0.049961 -0.236919 0.014107 0.113311 -0.119413 18H 1px -0.067545 0.022888 -0.164442 -0.012788 0.116985 -0.072752 18H 1py 0.052045 -0.013304 0.066007 0.012498 -0.067978 0.039797 19H 1s -0.028381 -0.028191 0.005392 -0.001419 0.018882 0.013010 19H 2s -0.059004 0.195429 -0.886502 0.199357 0.052801 -0.502493 19H 3s -0.044599 -0.006950 0.047163 -0.012179 0.018080 0.042845 19H 1pz 0.043972 -0.057488 0.371663 -0.090199 -0.021855 0.210074 19H 1px 0.031484 0.004515 0.003066 0.004500 -0.041495 0.009994 19H 1py -0.005184 -0.019772 0.070842 -0.023360 0.021536 0.037758 20H 1s -0.078755 -0.042186 0.027349 0.021657 0.002560 -0.006720 20H 2s 0.056798 0.915998 -0.611347 0.369204 -0.285024 0.398948 20H 3s -0.103999 -0.176780 0.061226 0.042380 -0.014695 -0.017681 20H 1pz 0.110608 0.130755 -0.086948 0.039115 0.001088 0.102471 20H 1px -0.025917 -0.197207 0.097882 0.019936 0.114973 0.008118 20H 1py -0.040375 0.356879 -0.240816 0.103736 -0.150108 0.170664 21H 1s 0.054043 0.047776 -0.020590 -0.069761 -0.029929 -0.005722 21H 2s 0.503231 1.000220 -0.523798 -0.396542 -0.523990 0.081071 21H 3s -0.056878 -0.146730 0.103150 -0.093450 -0.079031 -0.120405 21H 1pz -0.122463 -0.167896 0.091424 0.069941 0.067739 -0.068100 21H 1px -0.150778 -0.405864 0.227248 0.063080 0.172151 -0.084206 21H 1py 0.039566 0.184063 -0.117249 -0.114239 -0.130142 -0.020112 22H 1s -0.027046 -0.197152 0.111771 0.029135 0.094121 -0.048020 22H 2s 0.176384 -0.119453 -0.057126 0.117323 0.390351 0.381512 22H 3s -0.076435 -0.237252 0.020267 -0.007407 0.077019 0.114949 22H 1pz -0.129100 -0.088089 0.073711 -0.000895 -0.061193 -0.057209 22H 1px 0.044965 0.149197 -0.099400 0.068665 0.002125 0.123818 22H 1py 0.000106 -0.144353 0.055882 0.065412 0.148053 0.010148 23H 1s 0.085985 0.044287 0.030358 0.045910 0.042999 0.013041 23H 2s -0.792071 -0.309124 -0.058936 0.072760 0.603046 0.683887 23H 3s 0.227263 0.083593 0.007542 0.103395 0.007457 0.023893 23H 1pz -0.002742 0.009503 -0.023340 -0.096273 -0.144390 -0.015147 23H 1px 0.227243 0.103519 0.027697 0.045765 -0.131127 -0.114242 23H 1py 0.327585 0.148323 0.043076 -0.002639 -0.225474 -0.252827 24H 1s 0.003955 -0.021287 -0.004843 -0.009463 -0.057411 -0.041290 24H 2s -1.075689 -0.437957 -0.239313 -0.587740 0.359769 0.377675 24H 3s 0.230656 0.049330 -0.064423 0.070088 -0.001464 -0.155268 24H 1pz 0.387627 0.137251 0.103897 0.149147 -0.102631 -0.113583 24H 1px 0.299799 0.094059 0.044815 0.122982 -0.119894 -0.165836 24H 1py -0.045034 -0.036800 -0.025944 -0.078094 0.008447 0.082758 25H 1s 0.129940 0.055644 0.010116 0.005743 -0.085319 -0.062620 25H 2s -0.320702 -0.123949 -0.304042 -0.142420 -0.019301 0.235187 25H 3s 0.316835 0.069464 -0.103347 0.116525 0.041296 -0.102324 25H 1pz 0.105988 0.031862 0.081405 0.075879 0.050631 -0.016936 25H 1px -0.265719 -0.116218 -0.088154 -0.090847 0.061631 0.166555 25H 1py -0.010127 -0.044281 0.021189 -0.002771 -0.016111 -0.031089 26O 1s 0.002189 0.001648 0.018126 0.002990 -0.012364 0.002772 26O 2s 0.009737 0.005176 0.063343 0.009193 -0.043115 0.009854 26O 3s -0.030275 -0.058653 -0.496403 -0.092068 0.392324 -0.082881 26O 4s -0.086032 0.204604 1.083108 0.375563 -1.284098 0.227459 26O 5s -1.843584 0.513689 -0.413068 0.119116 0.207160 0.027052 26O 1pz 0.109873 -0.070631 0.019446 0.019833 -0.026108 0.038279 26O 1px -0.117486 0.055213 -0.044951 0.059184 -0.061345 -0.013009 26O 1py -0.079439 0.000115 -0.040481 0.109932 -0.151821 0.023450 26O 2pz -0.130595 0.094795 -0.041206 -0.011556 0.082575 -0.077426 26O 2px 0.477053 -0.224699 -0.069090 -0.214755 0.503221 -0.067970 26O 2py 0.268757 -0.019274 0.021062 -0.315643 0.444659 -0.096426 26O 3pz 0.329799 -0.353059 0.002568 0.016271 -0.352966 0.360709 26O 3px 0.550833 -0.264363 -0.403712 -0.002980 0.186524 0.107467 26O 3py 0.160393 -0.084056 -0.146290 -0.012453 -0.415548 0.215063 26O 1dz2 0.006567 -0.001505 -0.002341 -0.005458 0.004406 0.007084 26O 1dxz -0.002568 -0.000416 -0.007465 -0.001312 0.006232 -0.000054 26O 1dyz -0.008721 -0.000224 -0.000102 0.002603 -0.001871 -0.003342 26O 1dx2y2 -0.007599 0.002203 0.005261 0.004677 -0.003758 -0.004262 26O 1dxy -0.009684 0.004819 -0.002580 0.005013 0.000090 0.005004 26O 2dz2 0.057623 -0.038650 0.023377 -0.039647 0.043026 0.038627 26O 2dxz -0.010072 0.018909 0.015091 -0.036937 0.088702 -0.013244 26O 2dyz -0.090874 -0.002480 0.036077 -0.015735 0.023382 -0.000160 26O 2dx2y2 -0.051564 0.066325 -0.000041 -0.057277 0.000120 -0.000547 26O 2dxy -0.114142 0.004869 -0.007666 0.074575 0.035758 -0.008951 26O 1f0 -0.021177 0.004500 -0.004389 -0.000974 0.004360 -0.012277 26O 1f+1 -0.004480 -0.001461 0.010322 0.001846 -0.004445 0.003403 26O 1f-1 -0.000859 -0.001399 0.008911 0.008196 -0.001407 0.003521 26O 1f+2 0.028257 -0.010878 0.003604 0.000817 -0.009140 0.012876 26O 1f-2 0.011683 -0.005774 0.004977 0.007512 -0.004677 0.007923 26O 1f+3 -0.009184 0.004749 0.015379 -0.002496 -0.031913 -0.011544 26O 1f-3 -0.012906 0.004172 0.004326 0.010433 -0.014656 0.012559 27O 1s 0.003356 0.001440 0.027762 -0.011818 0.001043 -0.002363 27O 2s 0.011728 0.006830 0.097429 -0.040579 0.003161 -0.010534 27O 3s -0.135804 -0.104110 -0.786522 0.367616 -0.096910 0.057407 27O 4s 0.445101 0.660887 1.976341 -1.154704 0.702565 0.130725 27O 5s 1.001945 -0.633979 -1.062543 -0.279580 0.977758 0.777887 27O 1pz -0.133511 0.149977 0.075847 -0.055375 0.017063 0.118895 27O 1px 0.019270 0.109524 -0.002401 -0.130202 0.191902 0.101117 27O 1py -0.002429 -0.061167 -0.007143 -0.004565 -0.018807 -0.136321 27O 2pz 0.219362 -0.227530 -0.099650 0.121961 -0.048676 -0.209862 27O 2px -0.297881 -0.442929 -0.366813 0.661344 -0.808968 -0.412389 27O 2py 0.084027 0.147240 0.094300 -0.034203 0.137240 0.355865 27O 3pz -0.230645 0.544120 0.348084 -0.113573 0.171624 0.379573 27O 3px -0.520009 0.848093 -0.024768 -0.160940 -0.259355 0.101406 27O 3py 0.111282 -0.833788 -0.197289 0.190018 -0.333400 -0.392460 27O 1dz2 -0.008274 0.001609 0.002804 0.007385 -0.008144 -0.005323 27O 1dxz -0.002889 0.003262 -0.003102 -0.004386 0.002317 -0.002492 27O 1dyz -0.000966 0.001337 -0.000276 -0.000417 -0.001712 -0.009517 27O 1dx2y2 0.002822 0.002991 0.004831 -0.006762 0.006181 0.004580 27O 1dxy -0.000992 0.003951 0.006314 0.000242 -0.000110 -0.009277 27O 2dz2 -0.108637 0.081829 0.071890 0.009674 -0.036596 -0.030301 27O 2dxz -0.034123 -0.026444 -0.014810 -0.043894 -0.073276 0.044276 27O 2dyz -0.015293 0.009703 -0.000525 -0.014214 0.017149 -0.063900 27O 2dx2y2 0.030442 -0.029414 -0.041551 -0.055449 0.098178 -0.024607 27O 2dxy -0.047983 0.107952 0.045521 -0.060535 0.129918 -0.092981 27O 1f0 0.017763 -0.017549 -0.024240 -0.002983 0.009895 -0.016000 27O 1f+1 0.009049 0.008795 0.013972 -0.022476 0.018420 0.004177 27O 1f-1 -0.006005 0.004343 -0.000462 -0.001285 -0.002074 -0.002453 27O 1f+2 -0.020225 0.020984 0.014313 0.007266 -0.003211 0.014798 27O 1f-2 0.005306 0.004076 -0.000270 -0.008262 0.017699 -0.017553 27O 1f+3 0.017821 0.007368 0.016299 -0.020280 0.015961 0.005236 27O 1f-3 -0.011745 0.012199 0.001339 -0.011271 -0.001566 -0.014249 28O 1s -0.015496 0.007725 -0.020340 0.002991 0.009775 -0.004648 28O 2s -0.052960 0.026098 -0.071170 0.011576 0.033426 -0.016349 28O 3s 0.433489 -0.198767 0.529336 -0.106018 -0.247034 0.121980 28O 4s -1.047780 0.412582 -1.057843 0.197258 0.713902 -0.293865 28O 5s -0.293136 -0.294645 1.224432 0.212848 -1.252006 0.718223 28O 1pz -0.060763 0.064623 0.070013 -0.059423 0.115006 -0.077882 28O 1px 0.044574 0.012587 -0.061607 -0.022046 0.054094 -0.010341 28O 1py 0.019389 0.036147 0.008499 -0.114193 0.144991 -0.014463 28O 2pz 0.311503 -0.116065 -0.115547 0.088801 -0.206507 0.108392 28O 2px -0.304021 0.028424 0.094907 0.072512 -0.051008 0.051385 28O 2py 0.029363 -0.116139 -0.020867 0.203148 -0.260817 0.005652 28O 3pz 0.199055 0.262734 -0.064228 -0.468655 0.634758 -0.282081 28O 3px -0.384714 -0.045254 0.064948 0.009098 0.024070 0.054892 28O 3py -0.001866 -0.036527 -0.079824 -0.220346 0.233683 0.049927 28O 1dz2 -0.001094 -0.000733 0.005332 -0.000739 -0.001765 0.001724 28O 1dxz 0.004741 -0.005925 -0.000969 0.001298 -0.001396 -0.001775 28O 1dyz -0.000786 -0.001622 0.005555 -0.004916 -0.004266 0.004608 28O 1dx2y2 -0.003060 -0.001124 -0.001408 -0.000526 0.003113 -0.006195 28O 1dxy 0.001374 0.000254 -0.004190 -0.001082 -0.002808 0.007342 28O 2dz2 0.095605 -0.069327 -0.016246 -0.019731 -0.082523 0.055047 28O 2dxz 0.015122 0.038012 -0.067106 -0.053781 0.130028 -0.040637 28O 2dyz 0.052837 0.004376 -0.001283 -0.067933 -0.032052 0.066588 28O 2dx2y2 -0.087628 0.019064 0.061462 0.053593 -0.031011 -0.003301 28O 2dxy -0.044525 -0.032923 -0.000850 0.004710 -0.050292 0.001449 28O 1f0 -0.001452 0.006526 0.001456 -0.008329 0.002289 0.001620 28O 1f+1 -0.011218 0.004362 -0.003242 0.000546 -0.006488 0.007953 28O 1f-1 0.014326 -0.001552 -0.010161 -0.005202 0.009633 0.002429 28O 1f+2 0.005337 0.000179 0.006590 -0.000484 -0.006124 -0.005276 28O 1f-2 -0.017621 0.008490 0.000402 0.010291 -0.010668 -0.009796 28O 1f+3 -0.000394 0.006218 -0.000425 0.001676 -0.003639 -0.000157 28O 1f-3 -0.012428 0.006286 0.004314 0.006482 -0.005374 -0.006841 29O 1s 0.000370 0.005954 0.035656 0.006799 -0.010381 -0.021648 29O 2s 0.001153 0.019705 0.118970 0.022582 -0.034865 -0.072190 29O 3s -0.007206 -0.114496 -0.728721 -0.139720 0.220569 0.447306 29O 4s 0.021994 0.131055 1.128780 0.210439 -0.354069 -0.650983 29O 5s -0.047472 -0.298702 -2.470494 -0.375942 0.709789 1.182755 29O 1pz 0.008398 -0.007711 -0.070996 -0.015663 0.012452 0.059889 29O 1px 0.008892 0.045528 0.150332 0.052238 -0.058558 -0.148833 29O 1py 0.007033 0.004322 -0.113331 -0.021797 0.026390 0.044678 29O 2pz -0.062799 0.040615 0.293790 0.090752 0.070814 -0.206042 29O 2px -0.038547 -0.113394 -0.479242 -0.111038 0.205704 0.363542 29O 2py -0.000923 0.034685 0.452150 0.076770 -0.117812 -0.210390 29O 3pz -0.025336 -0.008822 -0.075955 0.025695 0.125812 0.052847 29O 3px 0.013470 0.025579 0.554334 0.121773 -0.116327 -0.294098 29O 3py -0.027449 0.174055 0.371666 0.006430 -0.158936 -0.168388 29O 1dz2 -0.001203 -0.000100 0.008033 0.002593 0.003147 -0.003361 29O 1dxz 0.001575 0.000640 0.005789 0.000584 -0.003764 -0.003681 29O 1dyz -0.003774 0.001269 0.002923 0.000544 0.004850 -0.001372 29O 1dx2y2 -0.000266 -0.000291 -0.008741 -0.001443 0.001105 0.004133 29O 1dxy 0.000537 -0.002309 -0.001963 0.001027 0.004519 -0.000488 29O 2dz2 0.008372 -0.017972 -0.075583 -0.018652 -0.003005 0.045465 29O 2dxz -0.007963 -0.008096 -0.023420 0.002498 0.027311 0.019128 29O 2dyz 0.011400 -0.000171 -0.077728 -0.038561 -0.044467 0.047649 29O 2dx2y2 -0.009083 0.011092 -0.004734 0.001083 0.003157 -0.003910 29O 2dxy 0.026216 0.005140 0.145554 0.033801 -0.057613 -0.094259 29O 1f0 -0.000628 0.005108 0.013397 0.000592 -0.005341 -0.007212 29O 1f+1 0.000777 -0.002694 -0.007803 -0.001029 0.001279 0.003833 29O 1f-1 -0.002325 0.007633 0.012253 0.001032 0.000364 -0.006629 29O 1f+2 0.000930 0.000517 -0.003906 -0.001567 -0.001326 0.002702 29O 1f-2 -0.000545 0.002542 0.007847 -0.002857 -0.005946 -0.000700 29O 1f+3 -0.000441 0.001064 0.006469 0.001207 -0.000892 -0.002496 29O 1f-3 0.000031 0.000004 -0.003183 0.001304 0.001670 0.000730 30O 1s 0.000509 -0.013007 -0.024510 -0.008522 -0.005113 0.006349 30O 2s 0.001391 -0.042845 -0.084445 -0.030151 -0.017066 0.024463 30O 3s -0.058358 0.328260 0.622442 0.235784 0.073619 -0.220377 30O 4s 0.384369 -0.885068 -1.334081 -0.322868 -0.029974 0.463184 30O 5s 1.117087 0.453043 1.658626 -0.189894 1.567934 0.932663 30O 1pz 0.110831 -0.223178 -0.091227 0.111781 -0.063090 -0.149145 30O 1px -0.077905 -0.038026 -0.125459 0.001306 -0.162575 -0.045334 30O 1py 0.000172 0.143109 0.036216 -0.085653 0.092430 0.174674 30O 2pz -0.392914 0.501298 0.172867 -0.156165 0.001543 0.158123 30O 2px 0.339314 -0.084040 0.171498 -0.002738 0.428029 0.221306 30O 2py 0.176647 -0.313906 -0.062218 0.135845 -0.008861 -0.204407 30O 3pz -0.169290 -0.642406 -0.227045 0.390129 -0.482865 -0.412045 30O 3px 0.299755 0.037127 -0.148869 0.038417 0.228901 0.095108 30O 3py 0.037286 0.865946 0.456419 -0.693518 0.647265 0.500126 30O 1dz2 0.001092 -0.006524 0.001497 0.001730 -0.008236 0.006303 30O 1dxz -0.004278 0.008051 0.002541 -0.005413 -0.003253 0.001737 30O 1dyz -0.005614 0.004464 -0.005973 -0.001729 -0.003436 0.006401 30O 1dx2y2 -0.001883 0.000838 -0.005429 -0.000244 0.004925 -0.007553 30O 1dxy 0.002909 -0.008825 -0.000502 -0.001143 0.000570 -0.003288 30O 2dz2 0.011972 -0.091874 -0.059202 0.011058 -0.099057 -0.038891 30O 2dxz -0.096823 -0.021675 -0.061016 0.052090 -0.090709 -0.028381 30O 2dyz -0.001025 -0.088434 -0.085488 0.037961 -0.092260 0.013158 30O 2dx2y2 0.087333 -0.085850 0.001165 0.023549 0.019344 0.030490 30O 2dxy -0.000389 0.115411 0.132404 -0.052588 0.069964 0.068942 30O 1f0 0.012725 -0.008371 -0.000474 -0.000717 0.003739 0.006060 30O 1f+1 0.005487 -0.001959 0.009475 -0.005482 0.004330 0.017545 30O 1f-1 0.003555 0.010510 0.015327 -0.002034 0.003694 0.019018 30O 1f+2 0.006948 0.009979 0.016706 -0.007056 0.013695 0.003367 30O 1f-2 -0.011820 0.000933 0.001276 0.011295 -0.018352 -0.010327 30O 1f+3 0.006099 -0.003356 0.003580 -0.009067 0.017158 -0.003696 30O 1f-3 -0.000365 0.006379 0.008190 -0.004664 -0.002475 0.001189 31O 1s 0.002617 -0.013323 0.023392 -0.009675 0.003941 0.007518 31O 2s 0.008880 -0.043951 0.080487 -0.034010 0.012832 0.028496 31O 3s -0.010202 0.338432 -0.592451 0.255862 -0.040504 -0.246729 31O 4s -0.296558 -0.910793 1.279365 -0.345189 -0.007208 0.502075 31O 5s -1.079184 0.417308 -1.610124 0.079099 -1.626611 0.788746 31O 1pz 0.102467 0.221279 -0.095959 -0.098556 -0.085260 0.144495 31O 1px -0.107431 0.034247 -0.122108 0.025271 -0.162461 0.029717 31O 1py 0.007435 -0.143241 0.046193 0.070474 0.113470 -0.174159 31O 2pz -0.355577 -0.504029 0.179734 0.149524 0.034464 -0.157151 31O 2px 0.384728 0.097446 0.167506 -0.066061 0.427518 -0.183086 31O 2py 0.161679 0.321537 -0.077891 -0.132158 -0.043660 0.212931 31O 3pz -0.229551 0.627693 -0.234497 -0.305324 -0.554206 0.384539 31O 3px 0.281479 -0.024777 -0.161097 -0.074016 0.227997 -0.075011 31O 3py 0.181384 -0.849635 0.480111 0.576217 0.772652 -0.458996 31O 1dz2 -0.000219 -0.006415 -0.001874 0.000433 0.008364 0.006843 31O 1dxz 0.005742 0.008107 -0.002739 -0.005840 0.002173 0.002047 31O 1dyz 0.003418 0.004553 0.005633 -0.002255 0.003049 0.006714 31O 1dx2y2 0.000483 0.000846 0.005779 0.000444 -0.004757 -0.008037 31O 1dxy -0.002702 -0.008981 0.000788 -0.001058 -0.000416 -0.003479 31O 2dz2 0.009276 -0.088308 0.057663 -0.005823 0.101566 -0.029779 31O 2dxz 0.102560 -0.018917 0.059500 0.037207 0.098944 -0.022285 31O 2dyz -0.020866 -0.088817 0.083904 0.022310 0.100400 0.017260 31O 2dx2y2 -0.102862 -0.089028 -0.000129 0.025486 -0.014083 0.025097 31O 2dxy -0.031551 0.112881 -0.132340 -0.038052 -0.079989 0.059837 31O 1f0 0.011939 0.008726 -0.000109 0.000248 0.004001 -0.005972 31O 1f+1 0.005924 0.002454 0.009751 0.004517 0.005208 -0.016838 31O 1f-1 0.003765 -0.010157 0.015435 0.001206 0.004400 -0.018187 31O 1f+2 0.009152 -0.009156 0.016683 0.005035 0.014743 -0.002660 31O 1f-2 -0.012103 -0.001562 0.000837 -0.008447 -0.020024 0.009378 31O 1f+3 0.007381 0.003827 0.003813 0.006639 0.018097 0.004207 31O 1f-3 0.004212 -0.006288 0.008418 0.004898 -0.001728 -0.001046 32O 1s -0.011203 0.006166 -0.035314 0.005255 0.012062 -0.021585 32O 2s -0.037345 0.020435 -0.117811 0.017364 0.040481 -0.071912 32O 3s 0.232000 -0.119598 0.721084 -0.105715 -0.256098 0.443590 32O 4s -0.345026 0.139765 -1.117359 0.154585 0.409199 -0.642631 32O 5s 0.587251 -0.308553 2.457778 -0.279571 -0.801985 1.194512 32O 1pz -0.018404 0.008904 -0.066124 0.012434 0.015884 -0.056639 32O 1px 0.085128 -0.048063 0.148406 -0.041657 -0.070711 0.145066 32O 1py -0.017895 -0.003758 -0.113569 0.017717 0.030991 -0.044718 32O 2pz -0.003323 -0.040754 0.276096 -0.098683 0.052292 0.201283 32O 2px -0.228308 0.119021 -0.478269 0.079516 0.231533 -0.360329 32O 2py 0.101985 -0.036112 0.453705 -0.062838 -0.131637 0.215372 32O 3pz -0.087048 0.013595 -0.081614 -0.044962 0.122836 -0.048310 32O 3px 0.130150 -0.028513 0.547753 -0.101802 -0.146246 0.289836 32O 3py 0.053886 -0.176900 0.371539 0.010923 -0.159722 0.175791 32O 1dz2 0.000113 -0.000088 -0.008043 0.003114 -0.002547 -0.003591 32O 1dxz -0.003698 0.000734 -0.005777 -0.000006 0.003886 -0.003579 32O 1dyz 0.003766 0.001254 -0.002955 0.001334 -0.004688 -0.001560 32O 1dx2y2 0.001828 -0.000234 0.008652 -0.001304 -0.001514 0.004314 32O 1dxy 0.000325 -0.002360 0.001942 0.001630 -0.004212 -0.000455 32O 2dz2 0.007850 -0.017295 0.071777 -0.017669 -0.004145 0.045387 32O 2dxz 0.015602 -0.007442 0.025353 0.005640 -0.029202 0.021422 32O 2dyz -0.002073 -0.000070 0.079161 -0.045810 0.036039 0.051041 32O 2dx2y2 0.006842 0.011260 0.004770 0.002577 -0.005805 -0.003947 32O 2dxy -0.072964 0.005745 -0.144645 0.025998 0.063528 -0.093913 32O 1f0 0.002622 -0.004610 0.012466 0.000074 -0.005519 0.007069 32O 1f+1 -0.001276 0.002828 -0.008339 0.000820 0.001871 -0.004191 32O 1f-1 -0.000513 -0.007788 0.012837 -0.001241 -0.000123 0.007380 32O 1f+2 0.000550 -0.000208 -0.004436 0.001728 -0.000775 -0.003052 32O 1f-2 0.001927 -0.002479 0.007193 0.003738 -0.005356 0.000499 32O 1f+3 0.000292 -0.001120 0.006544 -0.000905 -0.001478 0.002633 32O 1f-3 -0.000040 -0.000074 -0.002914 -0.001484 0.001350 -0.000739 33O 1s 0.017733 0.007709 0.019976 0.003905 -0.009141 -0.003828 33O 2s 0.060175 0.026041 0.069937 0.014720 -0.031070 -0.013532 33O 3s -0.496630 -0.198219 -0.521947 -0.130837 0.227720 0.104256 33O 4s 1.271116 0.406154 1.056284 0.290637 -0.676626 -0.279037 33O 5s 0.451097 -0.267282 -1.207865 0.072060 1.236201 0.636867 33O 1pz -0.114240 -0.064044 0.063523 0.041271 0.121601 0.082369 33O 1px 0.057840 -0.011632 -0.057779 0.018327 0.055998 0.003712 33O 1py -0.032892 -0.031522 0.008922 0.094127 0.157684 0.012715 33O 2pz 0.470337 0.116140 -0.100680 -0.050992 -0.219822 -0.125967 33O 2px -0.411728 -0.030135 0.083202 -0.077661 -0.055718 -0.028739 33O 2py 0.124797 0.107650 -0.022111 -0.166677 -0.284950 -0.003830 33O 3pz -0.072264 -0.250430 -0.083342 0.379407 0.683277 0.268085 33O 3px -0.376830 0.043921 0.067865 -0.021208 0.023737 -0.028838 33O 3py -0.214523 0.037838 -0.085835 0.186317 0.260611 -0.057578 33O 1dz2 0.002125 -0.000585 -0.005299 -0.001018 0.001518 0.001669 33O 1dxz -0.007809 -0.005917 0.000971 0.000953 0.001603 -0.001628 33O 1dyz 0.001969 -0.001538 -0.005729 -0.005578 0.003528 0.004580 33O 1dx2y2 0.003015 -0.001326 0.001783 -0.000063 -0.003020 -0.006676 33O 1dxy -0.003541 0.000230 0.003909 -0.001480 0.002353 0.007311 33O 2dz2 -0.117571 -0.067790 0.013922 -0.034293 0.075708 0.056545 33O 2dxz 0.005476 0.035366 0.067103 -0.036766 -0.134037 -0.037038 33O 2dyz -0.053586 0.002341 -0.002729 -0.074779 0.021964 0.068493 33O 2dx2y2 0.082834 0.019911 -0.059180 0.052306 0.037136 -0.010602 33O 2dxy 0.056937 -0.029952 0.002361 -0.001386 0.049040 0.000579 33O 1f0 -0.002322 -0.006736 0.001489 0.008110 0.003720 -0.001165 33O 1f+1 -0.013223 -0.004339 -0.002835 -0.000216 -0.006066 -0.007430 33O 1f-1 0.013570 0.002137 -0.009975 0.004121 0.010035 -0.002606 33O 1f+2 0.009588 -0.000533 0.006628 0.001341 -0.006082 0.005040 33O 1f-2 -0.012548 -0.008726 0.000014 -0.008604 -0.011788 0.010154 33O 1f+3 0.003679 -0.006382 -0.000262 -0.001294 -0.003661 0.000447 33O 1f-3 -0.012944 -0.006308 0.003749 -0.005567 -0.006143 0.007018 34O 1s -0.004351 0.001160 -0.027446 -0.011087 -0.002813 -0.003253 34O 2s -0.015299 0.005937 -0.096323 -0.038131 -0.009232 -0.013546 34O 3s 0.163338 -0.094871 0.780678 0.338382 0.152280 0.082080 34O 4s -0.528573 0.628179 -1.982924 -1.018414 -0.881545 0.067220 34O 5s -0.720210 -0.688595 1.034666 -0.164161 -1.018105 0.762760 34O 1pz -0.116114 -0.148537 0.076553 0.047610 0.029091 -0.113610 34O 1px 0.030028 -0.104275 0.003535 0.102043 0.211998 -0.092534 34O 1py -0.007267 0.061929 -0.013093 0.008572 -0.022534 0.140620 34O 2pz 0.177465 0.223525 -0.101542 -0.104906 -0.072738 0.199442 34O 2px -0.302110 0.414850 -0.388982 -0.538157 -0.913772 0.376783 34O 2py 0.079675 -0.144193 0.106889 0.011413 0.152507 -0.358675 34O 3pz -0.243169 -0.544388 0.349864 0.079114 0.209093 -0.355159 34O 3px -0.417982 -0.867921 -0.023245 0.187735 -0.211030 -0.099464 34O 3py 0.068672 0.834111 -0.206305 -0.131310 -0.389564 0.375452 34O 1dz2 0.006823 0.002037 -0.002691 0.006236 0.009278 -0.005162 34O 1dxz 0.003262 0.003114 0.003291 -0.003898 -0.002924 -0.002601 34O 1dyz 0.000228 0.001509 0.000400 -0.000694 0.001864 -0.009285 34O 1dx2y2 -0.004539 0.002692 -0.005117 -0.005822 -0.007193 0.004106 34O 1dxy 0.000715 0.004208 -0.006121 0.000174 0.000272 -0.009276 34O 2dz2 0.089547 0.084703 -0.070215 0.006400 0.037500 -0.031949 34O 2dxz 0.022338 -0.028830 0.013175 -0.052365 0.066623 0.046152 34O 2dyz 0.005902 0.012169 -0.000005 -0.012453 -0.017300 -0.061214 34O 2dx2y2 -0.034152 -0.032003 0.039852 -0.042614 -0.103236 -0.027908 34O 2dxy 0.016288 0.108030 -0.043802 -0.039793 -0.136321 -0.100850 34O 1f0 0.017114 0.017892 -0.024448 0.001931 0.009746 0.015607 34O 1f+1 0.008237 -0.007857 0.014112 0.019352 0.021801 -0.002978 34O 1f-1 -0.005508 -0.004543 -0.000438 0.001512 -0.001798 0.002257 34O 1f+2 -0.021974 -0.021536 0.014295 -0.007085 -0.003590 -0.014338 34O 1f-2 0.006062 -0.004242 -0.000214 0.005782 0.018742 0.017943 34O 1f+3 0.016540 -0.006608 0.016879 0.017745 0.019317 -0.005211 34O 1f-3 -0.013065 -0.012909 0.001341 0.011232 0.000297 0.013665 35O 1s -0.000298 0.001978 -0.018020 0.001315 0.011952 0.002287 35O 2s -0.004061 0.006297 -0.062996 0.003344 0.041536 0.008238 35O 3s 0.009041 -0.068673 0.494400 -0.038300 -0.381575 -0.071482 35O 4s -0.052580 0.234597 -1.085014 0.195835 1.274934 0.210795 35O 5s 2.118717 0.516493 0.395657 0.155265 -0.174582 0.002223 35O 1pz 0.131261 0.070685 0.021751 -0.015394 -0.028444 -0.039915 35O 1px -0.078801 -0.054441 -0.043211 -0.049897 -0.069829 0.013200 35O 1py -0.031226 -0.005927 -0.039147 -0.086502 -0.161664 -0.025647 35O 2pz -0.160552 -0.093344 -0.045697 0.000417 0.081006 0.077972 35O 2px 0.351749 0.232958 -0.077109 0.142772 0.517497 0.064774 35O 2py 0.175431 0.033071 0.018674 0.249681 0.472602 0.099501 35O 3pz 0.481722 0.353274 0.016880 0.031773 -0.343416 -0.360834 35O 3px 0.710302 0.275014 -0.401425 -0.019081 0.194447 -0.120488 35O 3py 0.366580 0.075635 -0.137307 0.072711 -0.392978 -0.224620 35O 1dz2 -0.004046 -0.001664 0.002183 -0.004829 -0.005260 0.007150 35O 1dxz 0.004684 -0.000585 0.007513 -0.000548 -0.006446 -0.000101 35O 1dyz 0.011312 -0.000079 0.000389 0.002360 0.002240 -0.003430 35O 1dx2y2 0.006695 0.002298 -0.005247 0.004189 0.004588 -0.004323 35O 1dxy 0.009987 0.004937 0.002277 0.005093 0.000280 0.004705 35O 2dz2 -0.041231 -0.039642 -0.024180 -0.032648 -0.049414 0.037226 35O 2dxz 0.049371 0.019025 -0.015676 -0.023436 -0.092692 -0.013726 35O 2dyz 0.133082 0.000061 -0.035273 -0.010828 -0.026142 -0.001245 35O 2dx2y2 0.043430 0.065075 -0.002003 -0.056057 -0.007131 -0.003523 35O 2dxy 0.150582 0.005586 0.009516 0.078960 -0.023215 -0.008601 35O 1f0 -0.023975 -0.004849 -0.005057 0.000103 0.004338 0.012600 35O 1f+1 -0.006193 0.001154 0.010398 -0.001369 -0.004359 -0.003026 35O 1f-1 -0.001994 0.001279 0.008974 -0.008252 -0.002506 -0.003381 35O 1f+2 0.032623 0.011374 0.004200 0.000732 -0.009123 -0.012981 35O 1f-2 0.012106 0.005560 0.005189 -0.006618 -0.005412 -0.008504 35O 1f+3 -0.001222 -0.005971 0.015296 0.007476 -0.031037 0.011120 35O 1f-3 -0.013432 -0.004473 0.004629 -0.008485 -0.015142 -0.012317 498 499 500 501 502 503 3.10449 3.11371 3.12560 3.13087 3.13719 3.13983 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s -0.002900 -0.001870 0.000030 0.001769 0.001925 -0.000854 0Rh 2s 0.025945 0.014509 0.000463 -0.016994 -0.010526 0.009074 0Rh 3s -0.001475 -0.002297 0.000460 0.000195 0.005032 0.000444 0Rh 4s -0.137753 -0.077019 -0.002364 0.090226 0.055702 -0.047320 0Rh 5s 0.289083 0.152648 0.006457 -0.192880 -0.087064 0.092690 0Rh 6s -0.235131 -0.087952 -0.009525 0.168205 -0.064259 -0.024901 0Rh 7s -0.006858 -0.047260 0.003960 0.030756 1.066154 -0.571231 0Rh 8s 0.232574 0.068004 0.059544 -0.167316 -0.303917 0.028113 0Rh 1pz 0.001298 0.005133 -0.001050 -0.001853 -0.002946 0.002146 0Rh 1px 0.000877 -0.000998 -0.000941 -0.001572 0.008187 -0.001341 0Rh 1py 0.000116 0.001698 0.000410 -0.002395 0.001382 -0.000559 0Rh 2pz -0.005625 -0.019956 0.003933 0.006838 0.010565 -0.007578 0Rh 2px -0.003222 0.003815 0.003405 0.005802 -0.030356 0.004619 0Rh 2py -0.000699 -0.006699 -0.001173 0.009122 -0.005039 0.002130 0Rh 3pz 0.025329 0.048495 -0.006385 -0.009124 -0.006910 0.002208 0Rh 3px 0.003741 -0.007430 -0.002960 -0.007084 0.041687 0.001206 0Rh 3py 0.007123 0.018488 -0.005965 -0.018334 0.005753 -0.004195 0Rh 4pz -0.065592 -0.052820 -0.004531 -0.013619 -0.056798 0.053348 0Rh 4px 0.011660 -0.001482 -0.014671 -0.021904 0.072352 -0.043387 0Rh 4py -0.027689 -0.028588 0.036728 0.007199 0.013340 0.000702 0Rh 5pz 0.128315 0.077798 0.020563 0.012792 0.137916 -0.114801 0Rh 5px -0.045607 0.024094 0.031805 0.109657 -0.247616 0.103628 0Rh 5py 0.059943 0.054805 -0.079923 0.001584 -0.034639 0.006403 0Rh 6pz -0.530117 0.909023 -0.249228 0.524573 -0.578402 -0.548210 0Rh 6px 0.629703 0.075488 0.025573 -1.916725 1.011319 -0.681954 0Rh 6py -0.184947 0.191524 0.229817 -0.298899 -0.285207 -0.537875 0Rh 1dz2 -0.017118 0.004515 -0.000460 -0.007742 0.011325 0.001552 0Rh 1dxz 0.008028 0.011772 0.003714 -0.009480 0.001964 0.003069 0Rh 1dyz 0.007507 -0.005218 0.025815 0.000593 0.006756 0.003687 0Rh 1dx2y2 0.014972 0.009334 0.000872 0.016139 -0.005410 -0.005855 0Rh 1dxy 0.005996 0.005637 -0.005922 0.013490 -0.016382 -0.006409 0Rh 2dz2 -0.002310 0.001860 -0.001413 -0.001678 0.001399 -0.001493 0Rh 2dxz 0.002096 0.001068 0.000454 0.000512 -0.000268 -0.001487 0Rh 2dyz -0.000254 -0.000189 0.002274 -0.001241 -0.000724 -0.000552 0Rh 2dx2y2 0.000240 0.001154 0.001065 0.001130 -0.001110 0.002132 0Rh 2dxy 0.000250 0.000058 -0.001864 0.001393 -0.002246 0.000395 0Rh 3dz2 0.064518 -0.022626 0.007834 0.032564 -0.042304 0.001636 0Rh 3dxz -0.034980 -0.042212 -0.013878 0.028435 -0.005203 -0.003329 0Rh 3dyz -0.022678 0.017563 -0.092456 0.003889 -0.018179 -0.009393 0Rh 3dx2y2 -0.048444 -0.035084 -0.007606 -0.057105 0.022329 0.009372 0Rh 3dxy -0.020077 -0.018274 0.027292 -0.049446 0.062645 0.018821 0Rh 4dz2 -0.053607 0.030246 -0.019479 -0.040485 0.034428 -0.014760 0Rh 4dxz 0.043086 0.031216 0.012378 -0.014901 0.000683 -0.010436 0Rh 4dyz 0.007054 -0.012742 0.070625 -0.018964 -0.001596 0.000049 0Rh 4dx2y2 0.020149 0.032165 0.016459 0.050110 -0.023651 0.013121 0Rh 4dxy 0.010431 0.009409 -0.034140 0.042462 -0.057230 -0.006849 0Rh 5dz2 -0.058543 -0.006607 0.010617 0.043722 0.049476 -0.030513 0Rh 5dxz -0.063347 0.029352 -0.002070 -0.016309 0.029088 -0.038414 0Rh 5dyz 0.020037 0.024715 -0.020901 0.028495 0.075628 -0.004112 0Rh 5dx2y2 0.132720 -0.011491 -0.054602 -0.035304 -0.029988 0.063304 0Rh 5dxy 0.028148 0.034553 0.002707 -0.013028 -0.028460 0.008734 0Rh 1f0 -0.003623 0.001757 0.009160 -0.003850 0.007786 -0.003841 0Rh 1f+1 0.013925 0.006016 -0.015148 0.009833 -0.009797 -0.012167 0Rh 1f-1 0.004732 -0.016363 0.002303 0.028414 0.001826 -0.009576 0Rh 1f+2 -0.003428 0.021865 0.007754 0.003190 -0.024075 0.017073 0Rh 1f-2 -0.006175 -0.005271 -0.014768 0.002513 -0.013697 0.004761 0Rh 1f+3 0.016152 0.009849 -0.002117 0.019478 -0.007853 -0.006306 0Rh 1f-3 0.012986 0.004074 0.004633 0.008598 -0.009604 -0.003137 1Rh 1s 0.002924 -0.001850 -0.000005 -0.001627 0.001955 -0.000951 1Rh 2s -0.026158 0.014366 -0.000637 0.015712 -0.010855 0.010043 1Rh 3s 0.001488 -0.002263 -0.000418 -0.000128 0.005014 0.000457 1Rh 4s 0.138881 -0.076256 0.003320 -0.083474 0.057450 -0.052463 1Rh 5s -0.291406 0.151197 -0.008683 0.179509 -0.090938 0.103754 1Rh 6s 0.236810 -0.087364 0.013066 -0.162161 -0.060371 -0.034743 1Rh 7s 0.005454 -0.048473 -0.030630 0.006573 1.067134 -0.567413 1Rh 8s -0.232184 0.061178 -0.056778 0.164771 -0.298269 0.047186 1Rh 1pz 0.001525 -0.005057 -0.001050 -0.001491 0.002817 -0.002482 1Rh 1px 0.000957 0.000963 -0.000859 -0.001721 -0.008231 0.001355 1Rh 1py 0.000064 -0.001730 0.000415 -0.002372 -0.001101 0.000308 1Rh 2pz -0.006505 0.019646 0.003899 0.005491 -0.010131 0.008842 1Rh 2px -0.003529 -0.003688 0.003117 0.006333 0.030515 -0.004662 1Rh 2py -0.000497 0.006824 -0.001201 0.009055 0.003944 -0.001240 1Rh 3pz 0.027459 -0.047408 -0.005498 -0.007077 0.007255 -0.004426 1Rh 3px 0.004386 0.007325 -0.002952 -0.007348 -0.041801 -0.001325 1Rh 3py 0.006679 -0.018770 -0.005654 -0.018570 -0.003048 0.003821 1Rh 4pz -0.067976 0.050550 -0.008300 -0.011755 0.051690 -0.053773 1Rh 4px 0.011255 0.000816 -0.012381 -0.025212 -0.073054 0.044064 1Rh 4py -0.027478 0.028774 0.035350 0.008662 -0.016458 -0.006395 1Rh 5pz 0.132030 -0.073908 0.028301 0.008346 -0.126354 0.116809 1Rh 5px -0.045158 -0.021913 0.026742 0.118310 0.248892 -0.102256 1Rh 5py 0.060490 -0.054771 -0.077023 -0.000891 0.038769 0.007017 1Rh 6pz -0.512084 -0.912121 -0.216112 0.504994 0.536433 0.550413 1Rh 6px 0.639109 -0.094730 0.047102 -1.956442 -1.009370 0.587607 1Rh 6py -0.210759 -0.198713 0.282904 -0.339221 0.310765 0.474356 1Rh 1dz2 0.017008 0.005134 -0.000453 0.007589 0.013104 0.002253 1Rh 1dxz -0.008127 0.011785 -0.004097 0.008924 0.000195 0.002983 1Rh 1dyz -0.007511 -0.006302 -0.026211 -0.000793 0.006715 0.004335 1Rh 1dx2y2 -0.015063 0.008598 -0.001622 -0.015924 -0.005632 -0.005991 1Rh 1dxy -0.005946 0.005244 0.005435 -0.012951 -0.016228 -0.008942 1Rh 2dz2 0.002273 0.001944 0.001210 0.001728 0.001714 -0.001353 1Rh 2dxz -0.002063 0.001016 -0.000574 -0.000437 -0.000593 -0.001655 1Rh 2dyz 0.000284 -0.000341 -0.002268 0.001287 -0.000723 -0.000313 1Rh 2dx2y2 -0.000245 0.001105 -0.001067 -0.001273 -0.001164 0.002259 1Rh 2dxy -0.000243 0.000013 0.001853 -0.001417 -0.002282 -0.000020 1Rh 3dz2 -0.064006 -0.024966 -0.004033 -0.032290 -0.049403 -0.001254 1Rh 3dxz 0.035150 -0.042024 0.015627 -0.026987 0.001908 -0.002323 1Rh 3dyz 0.022557 0.021699 0.093656 -0.003449 -0.018060 -0.012556 1Rh 3dx2y2 0.048761 -0.032518 0.010016 0.057052 0.023280 0.009253 1Rh 3dxy 0.019884 -0.016824 -0.025698 0.047832 0.062295 0.028789 1Rh 4dz2 0.052979 0.032206 0.015758 0.040674 0.041541 -0.011400 1Rh 4dxz -0.042823 0.030551 -0.014366 0.014792 -0.006526 -0.012637 1Rh 4dyz -0.006683 -0.016491 -0.070457 0.019063 -0.001487 0.004556 1Rh 4dx2y2 -0.020416 0.030381 -0.017887 -0.051323 -0.024735 0.014226 1Rh 4dxy -0.010225 0.008202 0.033428 -0.041878 -0.057217 -0.016514 1Rh 5dz2 0.058720 -0.004275 -0.016545 -0.039581 0.046348 -0.033953 1Rh 5dxz 0.062588 0.031706 0.000236 0.017192 0.032084 -0.033626 1Rh 5dyz -0.020378 0.025628 0.007096 -0.026480 0.072220 -0.008584 1Rh 5dx2y2 -0.132383 -0.014225 0.056055 0.030583 -0.029084 0.061670 1Rh 5dxy -0.028598 0.034300 -0.006347 0.013831 -0.029754 0.011044 1Rh 1f0 -0.003365 -0.001724 0.009928 -0.004642 -0.006961 0.003922 1Rh 1f+1 0.013750 -0.005822 -0.015271 0.008967 0.010192 0.011799 1Rh 1f-1 0.004021 0.016764 0.002941 0.026406 -0.001339 0.010909 1Rh 1f+2 -0.002220 -0.021428 0.007909 0.005426 0.023652 -0.016041 1Rh 1f-2 -0.006253 0.004854 -0.016244 0.002647 0.014939 -0.004019 1Rh 1f+3 0.016038 -0.008917 -0.001707 0.019477 0.006809 0.006255 1Rh 1f-3 0.012621 -0.003399 0.005804 0.008130 0.010549 0.004215 2C 1s -0.001579 0.010509 0.004923 0.007209 -0.020484 0.010011 2C 2s -0.006373 0.028927 0.013874 0.017086 -0.057320 0.030053 2C 3s -0.042530 0.193737 0.079629 0.357934 -0.109660 0.024502 2C 4s 0.549846 -1.863118 -0.819713 -2.398177 1.980639 -0.720099 2C 5s 0.155760 -1.087983 -0.039732 0.221994 1.370193 -1.287757 2C 1pz 0.018320 0.048420 -0.031591 0.155406 -0.084644 -0.009963 2C 1px 0.022837 -0.016500 0.001842 -0.079985 0.030093 -0.007905 2C 1py 0.009244 0.065154 0.080043 0.040611 0.010634 0.051989 2C 2pz 0.410172 -0.549059 0.089474 -1.362804 0.440197 0.162087 2C 2px 0.155830 0.053838 -0.128158 0.605012 -0.460470 0.183600 2C 2py 0.304303 -0.740062 -0.659539 -0.558144 -0.136181 -0.239566 2C 3pz -0.009578 -0.055981 0.260113 0.008093 0.596457 -0.354835 2C 3px 0.326347 -0.483282 -0.266483 -0.094259 0.215263 0.053080 2C 3py 0.167706 -0.505098 -0.452930 -0.048376 0.161732 -0.486530 2C 1dz2 0.222456 -0.412894 -0.452102 0.060900 -0.257046 -0.075024 2C 1dxz -0.153242 0.264660 0.203061 0.079056 0.035459 -0.004591 2C 1dyz -0.135584 0.309089 0.310213 -0.000458 0.050062 0.202004 2C 1dx2y2 -0.213558 0.212122 0.078212 -0.030905 0.065554 -0.192491 2C 1dxy -0.121274 0.078772 -0.140625 0.105313 -0.117189 -0.233315 2C 2dz2 -0.010546 0.225262 0.498013 -0.487781 0.356005 0.132787 2C 2dxz -0.018291 -0.280381 -0.271686 -0.056250 -0.092357 0.147797 2C 2dyz 0.440767 -0.502325 -0.488575 -0.164521 -0.221210 -0.305912 2C 2dx2y2 0.258804 -0.032807 -0.099828 0.483225 -0.267503 0.073359 2C 2dxy 0.055931 0.079951 0.300818 -0.005865 0.149783 0.349510 2C 1f0 0.008792 0.078203 0.068702 -0.022501 0.045284 -0.001099 2C 1f+1 0.009857 -0.135664 -0.021248 -0.152196 0.088868 0.090079 2C 1f-1 0.086356 0.065471 0.027593 0.023082 -0.052581 -0.045174 2C 1f+2 -0.054615 0.103575 0.093489 0.027926 -0.035644 0.076157 2C 1f-2 0.013983 -0.161507 -0.063866 -0.117843 0.082839 0.059659 2C 1f+3 0.045952 -0.066089 -0.053929 -0.036898 -0.052405 0.020847 2C 1f-3 0.039111 -0.032860 -0.001304 -0.018795 -0.016139 -0.036010 3C 1s -0.003146 0.006847 0.000074 0.001074 -0.012135 0.011622 3C 2s -0.009283 0.019967 0.000947 0.001676 -0.035612 0.033287 3C 3s -0.131017 -0.041605 -0.060412 0.133106 0.135673 0.176461 3C 4s 1.075066 -0.173058 0.232567 -0.636916 0.149006 -1.658826 3C 5s 0.331238 -0.145676 0.672723 -0.329772 0.998307 -1.739750 3C 1pz -0.037761 -0.009219 -0.030399 0.036933 0.034443 0.063501 3C 1px -0.000787 -0.011900 -0.004815 -0.091980 -0.009809 0.012009 3C 1py 0.011158 -0.001281 0.018295 -0.096800 -0.030104 -0.050232 3C 2pz 0.520795 0.230062 0.132740 -0.208665 -0.178662 -0.579820 3C 2px 0.298062 0.182272 0.080294 0.699710 -0.156616 -0.061478 3C 2py -0.503485 -0.102971 -0.113142 0.601432 0.535474 0.292139 3C 3pz 0.130789 -0.000291 -0.008331 0.072790 0.223529 -0.433358 3C 3px 0.471477 -0.081460 0.467008 0.051855 -0.277711 -0.396619 3C 3py 0.034460 0.065883 -0.038572 0.167616 -0.498858 0.454082 3C 1dz2 0.012786 -0.090517 -0.040131 -0.144262 -0.031223 0.178314 3C 1dxz 0.126253 0.001980 0.078710 0.104564 -0.118514 0.043507 3C 1dyz 0.007072 -0.011509 -0.036494 0.019212 0.090119 -0.108137 3C 1dx2y2 -0.227042 -0.021336 -0.202502 -0.073607 0.261415 0.005108 3C 1dxy 0.407131 0.004240 0.272360 0.099792 -0.305640 -0.172763 3C 2dz2 0.111863 0.126417 0.046026 0.209427 0.045655 -0.269231 3C 2dxz -0.184314 -0.033990 -0.046607 -0.289800 0.112183 -0.025039 3C 2dyz -0.293354 -0.031928 -0.002558 0.095026 0.158090 0.307460 3C 2dx2y2 -0.038444 -0.076313 0.149519 0.298748 -0.072077 0.082180 3C 2dxy -0.457751 -0.111542 -0.236219 -0.427007 0.289045 0.150532 3C 1f0 -0.048960 -0.002448 0.012160 0.003454 0.068249 -0.011927 3C 1f+1 0.007614 0.000952 0.009932 -0.035705 -0.015033 -0.024281 3C 1f-1 0.062277 -0.037608 0.026335 -0.028969 -0.009552 0.018130 3C 1f+2 0.024058 -0.004855 0.063755 -0.024478 -0.061521 0.028701 3C 1f-2 -0.073099 0.028762 -0.113725 0.035983 0.054719 0.064779 3C 1f+3 0.083000 0.000471 0.002570 -0.000546 -0.028404 -0.017909 3C 1f-3 -0.046754 -0.015647 0.072614 -0.010995 -0.044471 0.015108 4C 1s 0.005830 0.001348 -0.000280 0.002853 -0.003433 0.003343 4C 2s 0.016731 0.006016 -0.000065 0.010685 -0.010638 0.007863 4C 3s 0.371906 -0.183878 -0.152683 -0.121906 0.118768 -0.248158 4C 4s -2.147606 0.739566 0.698615 0.525138 -0.288889 0.685591 4C 5s -1.550210 0.340844 0.241167 -0.759193 -0.705548 0.880922 4C 1pz -0.012664 0.097030 0.041220 0.143016 -0.096712 0.003558 4C 1px 0.047153 0.006156 0.030107 0.047502 -0.033196 -0.016157 4C 1py 0.013446 0.040977 0.002009 0.104820 -0.084584 -0.024168 4C 2pz 0.098334 -1.111962 -0.310027 -1.998720 0.826814 -0.232872 4C 2px -0.619984 0.095917 -0.224868 0.649592 -0.414736 0.407346 4C 2py -0.217257 -0.490982 -0.034303 -1.001959 0.475891 0.176287 4C 3pz -0.405849 -1.177547 -0.404417 -0.429104 1.315138 -1.003286 4C 3px -0.209854 1.030214 0.493524 1.090266 -0.674034 -0.699490 4C 3py -0.372326 -0.148160 0.442862 0.185377 0.801412 -0.589236 4C 1dz2 -0.009137 -0.072124 -0.075773 0.004218 -0.054563 0.026134 4C 1dxz 0.054300 -0.013666 -0.025788 -0.032921 -0.049358 -0.172073 4C 1dyz 0.181689 -0.048450 -0.026902 -0.014233 -0.090134 0.055718 4C 1dx2y2 0.195923 -0.132668 -0.151150 0.059484 -0.028957 -0.148787 4C 1dxy 0.083259 0.206290 0.109761 0.055014 0.025745 -0.108905 4C 2dz2 0.155908 0.416687 0.411498 -0.017201 0.074242 -0.227878 4C 2dxz -0.382800 0.444848 0.072193 0.944416 -0.328282 0.525446 4C 2dyz -0.541978 0.326528 0.149255 0.283562 -0.023561 -0.136013 4C 2dx2y2 -0.476493 -0.046059 0.286286 -0.510562 0.345694 0.483571 4C 2dxy -0.601258 -0.127298 -0.244593 0.466810 -0.299756 0.430846 4C 1f0 0.098011 -0.085053 -0.112020 0.035150 -0.060171 -0.028862 4C 1f+1 0.065337 0.028313 -0.047059 0.026910 -0.011339 -0.093438 4C 1f-1 0.112831 -0.089015 -0.049725 -0.039945 0.092284 -0.181832 4C 1f+2 -0.113733 0.030996 0.033550 -0.067462 -0.009194 -0.019916 4C 1f-2 -0.037451 0.042441 0.048273 -0.013712 0.062624 -0.006302 4C 1f+3 -0.033691 0.015720 0.074696 -0.085019 0.085574 -0.075306 4C 1f-3 0.096834 0.097688 0.085228 0.028694 -0.036273 -0.034136 5C 1s 0.001762 -0.003019 0.001285 0.001803 -0.001652 0.005879 5C 2s 0.004975 -0.008647 0.001882 0.006340 -0.003126 0.016644 5C 3s 0.162124 0.042359 0.205236 -0.108187 -0.188535 -0.414285 5C 4s -0.907891 -0.198644 -0.960547 0.318550 0.935513 1.346515 5C 5s -0.240525 0.242033 -1.312125 -0.115542 -0.371652 1.071248 5C 1pz -0.018704 0.022046 0.014768 0.035699 -0.009157 0.004165 5C 1px 0.006885 0.002359 -0.040520 0.010656 -0.003984 -0.001554 5C 1py 0.059810 -0.013123 -0.010492 -0.021402 0.029126 -0.034136 5C 2pz 0.484803 -0.028279 -0.127378 -0.643879 -0.122829 -0.378009 5C 2px -0.239736 0.113276 -0.028478 0.815374 0.263014 0.270934 5C 2py -0.741849 -0.102514 0.137220 0.558393 0.105789 0.655039 5C 3pz 0.018103 -0.082157 0.213668 -0.471594 0.501357 -0.735724 5C 3px -0.489941 0.276818 -0.892951 0.353570 0.998534 -0.159195 5C 3py -0.468503 0.049587 -0.084965 0.155404 -0.819453 1.465717 5C 1dz2 0.026104 -0.014310 -0.002182 -0.003744 -0.058167 0.127943 5C 1dxz -0.099238 0.044107 -0.180976 -0.026713 0.159657 0.129631 5C 1dyz -0.085379 -0.008095 -0.066718 -0.032218 0.120370 -0.069521 5C 1dx2y2 -0.000428 -0.019222 0.005852 -0.048634 0.004467 -0.007597 5C 1dxy -0.119350 -0.024848 0.004319 0.052283 0.117610 0.104620 5C 2dz2 0.131627 -0.053651 0.159231 -0.311742 -0.141143 -0.402983 5C 2dxz -0.098138 -0.004010 0.222867 0.638882 -0.035184 -0.054078 5C 2dyz 0.173814 -0.007721 0.220698 0.281630 -0.230009 0.113079 5C 2dx2y2 0.030437 0.154093 -0.004789 0.480157 0.147215 0.066730 5C 2dxy 0.631821 0.133086 -0.049234 -0.643964 -0.348026 -0.549696 5C 1f0 -0.028943 -0.016392 0.095597 0.043943 -0.128245 0.157187 5C 1f+1 -0.048810 -0.008326 -0.017253 -0.065052 -0.047836 0.030855 5C 1f-1 0.007391 0.019994 -0.017931 0.056860 0.033060 -0.023463 5C 1f+2 -0.108899 0.033783 -0.038588 -0.061291 0.017845 0.051342 5C 1f-2 0.009381 0.036882 -0.029547 -0.017736 -0.035811 0.030481 5C 1f+3 0.012651 -0.052445 -0.026837 -0.057847 0.031028 -0.074925 5C 1f-3 -0.123837 0.009313 -0.076414 -0.060738 0.072948 0.091263 6C 1s -0.001759 -0.003111 -0.000569 -0.002288 -0.001589 0.006147 6C 2s -0.004967 -0.008873 0.000280 -0.007813 -0.002905 0.017249 6C 3s -0.159334 0.034124 -0.214914 0.142173 -0.196711 -0.382916 6C 4s 0.893498 -0.150029 0.961655 -0.426034 0.977567 1.195676 6C 5s 0.229547 0.276198 1.285320 0.051277 -0.296945 0.943881 6C 1pz -0.018005 -0.022287 0.017210 0.038118 0.011280 -0.001088 6C 1px 0.005875 -0.002894 -0.040580 0.011624 0.004349 0.002260 6C 1py 0.058764 0.015384 -0.011476 -0.026242 -0.026051 0.036744 6C 2pz 0.477891 0.034451 -0.129121 -0.698501 0.143907 0.358758 6C 2px -0.239287 -0.110434 -0.009957 0.831034 -0.257414 -0.214054 6C 2py -0.730226 0.085100 0.119501 0.638449 -0.167869 -0.694094 6C 3pz 0.008169 0.077996 0.234703 -0.558565 -0.519526 0.701184 6C 3px -0.469427 -0.310823 -0.874979 0.377730 -0.971851 0.203515 6C 3py -0.455688 -0.058810 -0.124834 0.288211 0.773425 -1.526648 6C 1dz2 -0.021768 -0.014157 0.002667 0.000666 -0.049827 0.127138 6C 1dxz 0.088578 0.048766 0.181976 0.013523 0.159508 0.132127 6C 1dyz 0.084085 -0.004088 0.060075 0.035111 0.119470 -0.084669 6C 1dx2y2 -0.002296 -0.019346 -0.000688 0.048041 0.008354 0.010089 6C 1dxy 0.114013 -0.022648 -0.006968 -0.059591 0.122885 0.108568 6C 2dz2 -0.133463 -0.056971 -0.152442 0.331281 -0.161288 -0.383598 6C 2dxz 0.103915 -0.011427 -0.230929 -0.644478 -0.039424 -0.093507 6C 2dyz -0.169157 -0.021881 -0.205414 -0.280274 -0.221424 0.153708 6C 2dx2y2 -0.024087 0.143278 -0.018072 -0.475697 0.137135 0.000326 6C 2dxy -0.624377 0.120760 0.056854 0.690934 -0.374535 -0.528617 6C 1f0 -0.029180 0.018634 0.093312 0.054665 0.124073 -0.158650 6C 1f+1 -0.046996 0.004025 -0.021492 -0.061748 0.043470 -0.043474 6C 1f-1 0.008530 -0.020035 -0.013649 0.057308 -0.025192 0.033120 6C 1f+2 -0.105288 -0.039572 -0.032232 -0.054130 -0.013426 -0.050486 6C 1f-2 0.008891 -0.036498 -0.027344 -0.014929 0.038601 -0.022728 6C 1f+3 0.013762 0.050999 -0.033150 -0.060378 -0.026851 0.071141 6C 1f-3 -0.121367 -0.015959 -0.072446 -0.054540 -0.077557 -0.090162 7C 1s -0.005797 0.001241 0.000046 -0.003030 -0.003866 0.003068 7C 2s -0.016629 0.005751 -0.000832 -0.011207 -0.011862 0.006972 7C 3s -0.372996 -0.195881 0.143558 0.153337 0.102739 -0.245965 7C 4s 2.154323 0.797563 -0.646705 -0.633439 -0.194671 0.687831 7C 5s 1.547370 0.386685 -0.167818 0.660550 -0.572049 1.026550 7C 1pz -0.012564 -0.096331 0.039852 0.148179 0.101483 0.006231 7C 1px 0.046350 -0.004397 0.031218 0.045757 0.033753 0.018164 7C 1py 0.012813 -0.040575 0.000817 0.106385 0.085898 0.034284 7C 2pz 0.101037 1.089483 -0.303024 -2.052341 -0.895237 0.100441 7C 2px -0.625028 -0.104602 -0.258847 0.696354 0.409676 -0.364728 7C 2py -0.214603 0.478872 -0.034583 -1.013135 -0.495321 -0.257020 7C 3pz -0.413343 1.148314 -0.389386 -0.504742 -1.343178 0.984456 7C 3px -0.207796 -1.019004 0.533932 1.077653 0.653601 0.781706 7C 3py -0.372703 0.144745 0.478137 0.148669 -0.794911 0.564812 7C 1dz2 0.009774 -0.072746 0.083066 -0.007243 -0.047329 0.029001 7C 1dxz -0.050701 -0.008446 0.018906 0.041122 -0.031966 -0.171110 7C 1dyz -0.180272 -0.047972 0.024820 0.008765 -0.102611 0.049170 7C 1dx2y2 -0.189716 -0.132817 0.146140 -0.048355 -0.027201 -0.158461 7C 1dxy -0.091313 0.194530 -0.122713 -0.041913 0.013511 -0.111435 7C 2dz2 -0.157825 0.411507 -0.445075 0.038327 0.058689 -0.227482 7C 2dxz 0.377693 0.433189 -0.049838 -0.990769 -0.369761 0.472131 7C 2dyz 0.540120 0.336561 -0.142586 -0.290055 0.017140 -0.144017 7C 2dx2y2 0.463594 -0.035668 -0.268987 0.474215 0.344873 0.539631 7C 2dxy 0.616580 -0.111373 0.286045 -0.508565 -0.275686 0.396998 7C 1f0 0.093769 0.083647 -0.109741 0.032652 0.065194 0.036214 7C 1f+1 0.066169 -0.025686 -0.042875 0.018850 0.011783 0.101089 7C 1f-1 0.112210 0.089492 -0.038626 -0.055800 -0.090609 0.176664 7C 1f+2 -0.113267 -0.033076 0.029151 -0.066714 -0.002565 0.019451 7C 1f-2 -0.035989 -0.040687 0.050697 -0.014269 -0.062975 0.005021 7C 1f+3 -0.033747 -0.015022 0.081334 -0.090533 -0.086472 0.069731 7C 1f-3 0.096963 -0.092034 0.093773 0.023284 0.039759 0.033963 8C 1s 0.003055 0.007022 -0.000484 -0.002154 -0.012746 0.011157 8C 2s 0.009016 0.020467 -0.002290 -0.004698 -0.037461 0.031902 8C 3s 0.129184 -0.037707 0.069513 -0.153474 0.151501 0.174952 8C 4s -1.055864 -0.213546 -0.237781 0.812757 0.117099 -1.615547 8C 5s -0.317864 -0.155920 -0.709033 0.484329 0.921755 -1.715311 8C 1pz -0.037739 0.007681 -0.033914 0.041624 -0.041983 -0.069487 8C 1px -0.000334 0.009807 -0.006653 -0.090893 0.007810 -0.020136 8C 1py 0.010896 0.000257 0.021800 -0.104247 0.033077 0.043622 8C 2pz 0.517086 -0.211874 0.159309 -0.253395 0.252869 0.623746 8C 2px 0.289798 -0.154759 0.084699 0.690313 0.174983 0.105483 8C 2py -0.494570 0.094382 -0.115073 0.652938 -0.565097 -0.239322 8C 3pz 0.131349 0.004459 0.005669 0.048167 -0.184426 0.477026 8C 3px 0.452160 0.108602 0.460593 0.005229 0.278720 0.396233 8C 3py 0.034302 -0.060571 -0.041615 0.207855 0.493168 -0.417753 8C 1dz2 -0.014504 -0.086265 0.052636 0.143897 -0.005953 0.235473 8C 1dxz -0.121206 -0.005582 -0.073847 -0.103843 -0.112314 0.042782 8C 1dyz -0.009656 -0.011116 0.033083 -0.013452 0.085323 -0.116991 8C 1dx2y2 0.220810 -0.007775 0.201639 0.067292 0.259722 0.007144 8C 1dxy -0.390562 -0.017787 -0.266278 -0.076445 -0.306185 -0.187277 8C 2dz2 -0.108826 0.115429 -0.064146 -0.201706 0.004967 -0.348916 8C 2dxz 0.180315 -0.020229 0.036570 0.292605 0.100657 -0.013625 8C 2dyz 0.291343 -0.024621 0.001209 -0.118804 0.178537 0.307862 8C 2dx2y2 0.040867 -0.082091 -0.145242 -0.308650 -0.049801 0.074633 8C 2dxy 0.442123 -0.082359 0.235833 0.406093 0.304736 0.192009 8C 1f0 -0.047634 0.001424 0.017406 0.001171 -0.068369 0.012961 8C 1f+1 0.006608 -0.000830 0.009631 -0.037531 0.015660 0.025141 8C 1f-1 0.060542 0.039250 0.023439 -0.032439 0.007503 -0.030341 8C 1f+2 0.021753 0.006192 0.066238 -0.025772 0.061326 -0.026822 8C 1f-2 -0.069126 -0.033397 -0.113351 0.046051 -0.053675 -0.065628 8C 1f+3 0.081635 0.001505 0.001062 -0.005844 0.030820 0.013456 8C 1f-3 -0.047897 0.014830 0.074141 -0.010142 0.040883 -0.012971 9C 1s 0.001541 0.010611 -0.004181 -0.008510 -0.020300 0.008985 9C 2s 0.006248 0.029243 -0.011577 -0.020808 -0.056597 0.027322 9C 3s 0.043829 0.193069 -0.081470 -0.369971 -0.118718 0.003868 9C 4s -0.554452 -1.865511 0.772881 2.537109 1.997969 -0.535481 9C 5s -0.143960 -1.089546 0.002377 -0.112124 1.323295 -1.345910 9C 1pz 0.017453 -0.047905 -0.031813 0.158486 0.085532 0.021663 9C 1px 0.023543 0.016424 0.001073 -0.080445 -0.031539 0.004286 9C 1py 0.010014 -0.064967 0.083196 0.047095 -0.001649 -0.054622 9C 2pz 0.416755 0.547346 0.099883 -1.376853 -0.435123 -0.256228 9C 2px 0.147392 -0.053395 -0.124092 0.619128 0.485574 -0.156464 9C 2py 0.302216 0.733589 -0.675508 -0.591567 0.101632 0.243738 9C 3pz -0.007953 0.062380 0.291827 -0.025831 -0.570514 0.345033 9C 3px 0.318602 0.472653 -0.259882 -0.100644 -0.183549 -0.065305 9C 3py 0.162949 0.498894 -0.451517 -0.084426 -0.185271 0.516383 9C 1dz2 -0.212709 -0.406982 0.475247 -0.055449 -0.239101 -0.098468 9C 1dxz 0.142443 0.250934 -0.200638 -0.083227 0.033327 -0.006392 9C 1dyz 0.128350 0.304248 -0.315700 -0.016964 0.034039 0.212031 9C 1dx2y2 0.206478 0.211107 -0.088082 0.041213 0.098062 -0.189023 9C 1dxy 0.127961 0.088501 0.139360 -0.091756 -0.076080 -0.259870 9C 2dz2 -0.000024 0.222787 -0.525845 0.482232 0.332017 0.186024 9C 2dxz 0.029247 -0.267095 0.281793 0.053717 -0.079969 0.140211 9C 2dyz -0.431370 -0.499504 0.489334 0.198283 -0.204095 -0.316964 9C 2dx2y2 -0.247041 -0.038338 0.105611 -0.484890 -0.307753 0.040844 9C 2dxy -0.068470 0.069736 -0.301150 -0.031219 0.091800 0.384112 9C 1f0 0.009234 -0.078661 0.076318 -0.021702 -0.035202 0.001063 9C 1f+1 0.009186 0.134386 -0.023767 -0.149804 -0.079841 -0.097633 9C 1f-1 0.087152 -0.063781 0.036792 0.019934 0.056376 0.044084 9C 1f+2 -0.054368 -0.103786 0.094477 0.035149 0.044261 -0.074178 9C 1f-2 0.012150 0.158745 -0.067802 -0.117692 -0.079258 -0.069137 9C 1f+3 0.044097 0.064047 -0.057671 -0.034007 0.048734 -0.022721 9C 1f-3 0.039707 0.033616 -0.002553 -0.021974 0.013356 0.032325 10H 1s -0.013055 -0.079912 -0.006716 -0.142394 0.094021 0.040060 10H 2s -0.301363 0.374619 0.326644 -0.198105 -0.267101 0.320242 10H 3s -0.129346 0.155349 0.074801 -0.041274 0.056829 -0.048757 10H 1pz -0.048158 0.016124 0.093571 -0.158156 0.024712 0.102254 10H 1px 0.047912 -0.154277 -0.072242 -0.125432 0.250460 -0.139391 10H 1py 0.000774 -0.044439 -0.033090 -0.075489 -0.029059 -0.006364 11H 1s -0.010273 -0.005047 0.043099 -0.027619 0.079902 -0.032849 11H 2s 0.196550 0.557556 0.409493 0.477031 -0.680851 0.410814 11H 3s 0.032361 0.035593 0.045242 -0.043903 0.182564 0.036963 11H 1pz 0.048195 0.237543 0.164142 0.217101 -0.233202 0.125426 11H 1px 0.080357 0.083650 0.000426 0.149482 -0.245224 0.070460 11H 1py 0.029453 -0.059388 -0.039385 0.035524 0.127282 -0.108832 12H 1s -0.000710 -0.020695 -0.067114 0.032989 -0.009271 -0.076289 12H 2s 0.249188 0.089820 -0.290876 0.590191 -1.028466 0.068297 12H 3s 0.117015 -0.168159 -0.228097 -0.076676 0.035002 -0.100084 12H 1pz 0.035950 0.009219 -0.073050 0.135318 -0.031046 -0.114446 12H 1px 0.075580 0.050707 0.016054 0.128469 -0.172464 0.014627 12H 1py 0.049574 0.124228 -0.025556 0.223159 -0.391031 0.098710 13H 1s 0.016802 -0.016784 0.034872 -0.090827 -0.016273 -0.022892 13H 2s -0.236514 0.172686 -0.128723 -0.242053 -0.121259 0.341630 13H 3s -0.121687 0.003994 -0.207190 0.024619 0.191027 0.027970 13H 1pz -0.000202 0.068285 0.000209 -0.016656 -0.101973 0.109059 13H 1px 0.087460 -0.068037 0.015909 -0.040860 0.062455 -0.148473 13H 1py 0.011313 0.006943 -0.013915 0.152476 0.016538 -0.006017 14H 1s 0.034501 0.007492 -0.006234 0.080795 0.021175 -0.029977 14H 2s 0.251467 0.348703 -0.004529 0.520849 -0.366123 0.225687 14H 3s 0.163745 -0.057094 0.083183 0.058374 -0.127741 -0.101787 14H 1pz 0.016019 0.085447 -0.016413 0.124267 -0.059047 0.099155 14H 1px 0.036770 0.122272 -0.020331 0.129294 -0.132060 0.123561 14H 1py -0.055135 -0.002267 0.054344 -0.169635 -0.080163 0.061874 15H 1s -0.034767 -0.021043 -0.004734 -0.052672 0.044588 -0.061307 15H 2s -0.116422 0.065870 -0.083929 0.032636 -0.431440 0.548822 15H 3s -0.029693 -0.008860 -0.026245 -0.006973 0.125539 -0.005267 15H 1pz -0.020693 -0.054939 -0.022577 -0.010698 0.164772 -0.117653 15H 1px 0.040156 0.006264 0.033923 0.062580 -0.066354 0.022478 15H 1py 0.100928 -0.031538 0.037506 -0.013831 0.135907 -0.227709 16H 1s 0.010323 0.013400 0.001510 -0.015185 0.016667 -0.021734 16H 2s 0.328863 -0.247022 -0.055215 -0.681123 0.361724 0.249007 16H 3s -0.060712 0.014318 -0.007713 0.143806 -0.014942 0.010310 16H 1pz 0.133206 -0.089224 -0.026034 -0.290182 0.149820 0.083996 16H 1px 0.002904 -0.001325 0.009368 -0.020736 0.018416 0.002650 16H 1py 0.019180 -0.015157 -0.010056 -0.056030 0.016002 0.016226 17H 1s -0.009352 0.016895 -0.000736 -0.012977 0.007316 -0.021138 17H 2s 0.372201 -0.235602 0.065099 -0.578668 0.409934 0.207547 17H 3s -0.091257 -0.000031 -0.033168 0.132305 -0.026751 0.028523 17H 1pz -0.110530 0.057666 -0.013827 0.197381 -0.132811 -0.051414 17H 1px -0.107330 0.062491 -0.021497 0.132950 -0.101950 -0.051743 17H 1py 0.048267 -0.034443 0.023117 -0.068981 0.050516 0.025400 18H 1s 0.009159 0.017551 -0.001648 0.014789 0.007182 -0.020974 18H 2s -0.370537 -0.234577 -0.047526 0.567000 0.402181 0.233370 18H 3s 0.092566 0.000730 0.033282 -0.134490 -0.026417 0.019244 18H 1pz -0.112079 -0.057162 -0.010132 0.197262 0.131371 0.060456 18H 1px -0.106399 -0.063061 -0.017504 0.129160 0.099084 0.057920 18H 1py 0.044653 0.032203 0.020679 -0.062190 -0.045739 -0.027000 19H 1s -0.011070 0.013903 -0.002746 0.015546 0.015341 -0.020603 19H 2s -0.325179 -0.244328 0.068921 0.673790 0.353047 0.280455 19H 3s 0.058944 0.013820 0.007132 -0.144853 -0.015177 0.001765 19H 1pz 0.131202 0.086976 -0.030264 -0.286945 -0.145505 -0.097446 19H 1px 0.002128 -0.000409 0.008933 -0.018412 -0.017142 -0.002262 19H 1py 0.022328 0.017327 -0.011046 -0.062125 -0.019549 -0.022427 20H 1s 0.035309 -0.018704 0.003702 0.058341 0.047655 -0.055186 20H 2s 0.115960 0.075812 0.099772 -0.075692 -0.412479 0.577889 20H 3s 0.028144 -0.008766 0.030988 0.007382 0.138410 0.012967 20H 1pz -0.020541 0.054389 -0.025386 -0.019715 -0.172914 0.112686 20H 1px 0.038145 -0.003257 0.030059 0.064187 0.064554 -0.021198 20H 1py 0.099894 0.037000 0.043644 -0.034493 -0.126620 0.236535 21H 1s -0.034824 0.003866 0.006383 -0.079206 0.018071 -0.038916 21H 2s -0.247609 0.330712 -0.003379 -0.550190 -0.400434 0.162500 21H 3s -0.156036 -0.065668 -0.077318 -0.049517 -0.122978 -0.112719 21H 1pz 0.017462 -0.084183 -0.013239 0.136909 0.069985 -0.084532 21H 1px 0.036534 -0.119117 -0.017958 0.142534 0.140454 -0.112246 21H 1py -0.054538 -0.002101 0.057186 -0.167501 0.078265 -0.073259 22H 1s -0.016439 -0.016306 -0.035739 0.094771 -0.017165 -0.016633 22H 2s 0.227811 0.192417 0.111855 0.205140 -0.150526 0.326895 22H 3s 0.115262 0.010647 0.205407 -0.032543 0.192129 0.019956 22H 1pz 0.000765 -0.068898 0.003989 -0.005852 0.112093 -0.098410 22H 1px 0.085608 0.072160 0.011565 -0.055710 -0.066633 0.145717 22H 1py 0.011301 -0.001926 -0.016033 0.153396 -0.022583 0.013861 23H 1s 0.001595 -0.021817 0.066553 -0.023398 -0.004459 -0.083557 23H 2s -0.238327 0.098873 0.310629 -0.613810 -1.016217 -0.009596 23H 3s -0.114885 -0.161605 0.225641 0.082584 0.045431 -0.099429 23H 1pz 0.033914 -0.007912 -0.066039 0.125625 0.029938 0.126269 23H 1px 0.073076 -0.048762 0.016415 0.129543 0.172203 -0.003762 23H 1py 0.048692 -0.127116 -0.034236 0.241801 0.393406 -0.069047 24H 1s 0.010089 -0.004723 -0.047845 0.030301 0.078164 -0.023827 24H 2s -0.198680 0.554134 -0.410249 -0.530759 -0.715497 0.392867 24H 3s -0.034943 0.032417 -0.056091 0.046413 0.167569 0.053365 24H 1pz 0.048806 -0.234981 0.164548 0.235764 0.240957 -0.118310 24H 1px 0.079575 -0.086854 -0.002101 0.161594 0.251220 -0.057603 24H 1py 0.029815 0.057895 -0.030679 0.028010 -0.120361 0.103802 25H 1s 0.012630 -0.079332 0.009463 0.141674 0.093456 0.049143 25H 2s 0.290972 0.380678 -0.305731 0.153339 -0.242519 0.317353 25H 3s 0.126092 0.151854 -0.080845 0.045386 0.069312 -0.038206 25H 1pz -0.045465 -0.019816 0.089886 -0.145560 -0.022989 -0.110646 25H 1px 0.046553 0.154671 -0.060614 -0.144262 -0.247528 0.122157 25H 1py 0.000710 0.045005 -0.038115 -0.078620 0.017334 0.009770 26O 1s 0.005825 -0.001447 -0.000899 0.012407 -0.006325 -0.022779 26O 2s 0.021018 -0.007094 -0.002735 0.041134 -0.022367 -0.078941 26O 3s -0.237942 0.057805 0.004065 -0.277551 0.164258 0.640255 26O 4s 0.912052 0.000252 0.150971 0.436671 -0.263926 -1.632140 26O 5s 1.228207 -0.095385 -0.460800 -0.964969 0.355384 0.685115 26O 1pz -0.125495 0.190917 0.149365 0.051529 -0.030203 0.043114 26O 1px 0.191689 -0.002608 -0.023463 -0.080698 0.108220 0.010585 26O 1py -0.002167 0.119208 -0.027572 0.082303 -0.076820 -0.055823 26O 2pz 0.211035 -0.431348 -0.311479 -0.170317 0.075000 -0.062919 26O 2px -0.782481 -0.053209 -0.012916 0.198438 -0.180322 0.295239 26O 2py -0.190721 -0.220270 0.074680 -0.177925 0.186592 0.260232 26O 3pz 0.115579 0.487437 0.236215 0.284216 -0.517460 0.108887 26O 3px -0.440160 0.135328 -0.000329 0.326432 -0.310391 -0.094619 26O 3py -0.128723 0.454059 -0.023810 0.346749 -0.555223 -0.073016 26O 1dz2 -0.004409 0.000786 -0.000510 0.001734 -0.003144 0.000714 26O 1dxz -0.003712 0.002150 -0.001020 0.001810 -0.001262 -0.001713 26O 1dyz -0.002209 0.010599 0.002296 0.003616 -0.002371 0.003134 26O 1dx2y2 0.004725 0.005049 0.004766 -0.002481 0.006517 -0.000282 26O 1dxy 0.006170 0.002484 -0.005509 0.003184 -0.000118 -0.006003 26O 2dz2 -0.074523 0.046646 0.021909 0.048142 -0.042202 -0.011533 26O 2dxz -0.153060 0.087020 0.067659 -0.035814 0.030570 -0.041332 26O 2dyz -0.083826 0.088270 0.032585 0.014159 -0.032542 0.030376 26O 2dx2y2 0.143065 -0.040043 -0.004308 -0.053521 0.036545 0.062809 26O 2dxy -0.003084 -0.001132 -0.018815 -0.031031 0.022683 -0.007637 26O 1f0 -0.002895 0.008276 0.005786 0.012602 0.000688 0.008294 26O 1f+1 0.003294 0.006679 0.007873 0.000153 -0.005454 -0.005677 26O 1f-1 -0.000473 0.000819 0.005533 0.000361 0.001987 -0.012444 26O 1f+2 0.018480 -0.017946 -0.010483 -0.012006 -0.002578 -0.009647 26O 1f-2 -0.013447 0.004398 0.004847 -0.007422 -0.004293 -0.001784 26O 1f+3 -0.005747 0.027714 0.024224 -0.004647 0.005543 -0.003358 26O 1f-3 0.022246 -0.007926 -0.009465 0.004981 -0.005483 -0.020569 27O 1s 0.008359 -0.002029 -0.004647 0.004441 0.009492 -0.017900 27O 2s 0.030289 -0.007787 -0.016089 0.013095 0.031600 -0.062347 27O 3s -0.254436 0.078026 0.115256 -0.024397 -0.194189 0.497556 27O 4s 0.592916 -0.222245 -0.257361 -0.385846 0.193725 -1.183570 27O 5s 0.260313 -0.053698 1.231571 -0.788954 -1.321750 0.394611 27O 1pz -0.064344 0.077460 -0.117853 0.162466 0.092607 0.019702 27O 1px 0.050296 0.004039 0.079948 -0.042745 -0.084447 0.005993 27O 1py 0.145696 -0.000941 0.093010 0.030571 -0.048271 -0.081235 27O 2pz 0.126635 -0.167158 0.217195 -0.362799 -0.189693 -0.015553 27O 2px -0.260980 0.048598 -0.194057 0.365689 0.367426 0.215254 27O 2py -0.290386 -0.037464 -0.173637 -0.094774 0.058080 0.155296 27O 3pz 0.040352 0.160508 -0.214348 0.165661 -0.041469 0.283035 27O 3px -0.084925 0.117089 -0.370905 0.529763 0.023294 0.207060 27O 3py 0.135007 -0.160897 0.329181 -0.137392 0.167915 -0.335925 27O 1dz2 0.002324 0.004996 -0.005816 0.000393 0.001792 0.001753 27O 1dxz 0.003887 -0.001528 0.003783 0.005378 -0.003937 -0.001069 27O 1dyz 0.002853 -0.003908 0.002625 -0.002897 -0.003425 -0.006029 27O 1dx2y2 0.001199 0.002361 0.004332 -0.002145 0.000301 -0.002780 27O 1dxy 0.002257 -0.003812 -0.002161 -0.002399 -0.002326 -0.000051 27O 2dz2 0.029337 0.025303 -0.044392 0.034426 0.026967 0.001086 27O 2dxz -0.052974 0.031543 -0.083239 0.073969 0.121611 -0.056627 27O 2dyz 0.021801 -0.035997 0.019997 -0.059634 -0.019956 -0.043593 27O 2dx2y2 0.077911 0.001483 0.080247 -0.046706 -0.065932 -0.012088 27O 2dxy 0.089316 0.023692 0.037245 0.043676 -0.048515 -0.032197 27O 1f0 0.007289 -0.005479 0.024501 0.004930 -0.020170 -0.003118 27O 1f+1 0.011241 -0.003400 0.002047 0.000883 -0.004841 -0.013594 27O 1f-1 0.002963 0.004415 -0.001429 0.001677 -0.003518 0.001303 27O 1f+2 0.000696 0.005001 -0.008946 -0.003145 0.005601 0.008525 27O 1f-2 0.020775 -0.004524 0.014004 -0.005356 -0.013200 -0.013264 27O 1f+3 0.000059 -0.000163 -0.004429 -0.014549 -0.010750 -0.013334 27O 1f-3 0.012984 0.001276 -0.002759 -0.003188 -0.004711 -0.007153 28O 1s -0.007091 -0.002940 -0.000345 -0.015324 0.022288 -0.017488 28O 2s -0.027103 -0.006385 -0.000137 -0.049470 0.076787 -0.062270 28O 3s 0.199683 -0.003751 0.016949 0.250112 -0.527310 0.458151 28O 4s -0.457565 0.150638 -0.175263 0.128017 0.781068 -0.686540 28O 5s 1.034928 1.044538 0.104138 2.448302 -2.226591 1.006428 28O 1pz 0.058005 -0.206024 -0.075721 -0.116411 -0.002974 0.151169 28O 1px -0.087842 -0.043471 0.008987 -0.238146 0.122885 -0.137135 28O 1py 0.012259 -0.172088 -0.049946 -0.243966 0.105128 0.041480 28O 2pz -0.182126 0.281150 0.202749 -0.102059 0.186195 -0.328112 28O 2px 0.163244 0.225429 -0.086887 0.839034 -0.416356 0.342740 28O 2py -0.051832 0.306951 0.113959 0.423074 -0.178634 -0.057156 28O 3pz -0.202395 -0.776649 -0.072525 -0.983629 0.238703 0.804560 28O 3px 0.102983 0.242408 -0.075785 0.610368 -0.213047 -0.026532 28O 3py -0.003178 -0.505818 -0.276777 -0.443932 -0.027792 0.456157 28O 1dz2 0.001165 -0.001816 0.001041 -0.001217 -0.005560 0.000306 28O 1dxz -0.007354 0.007126 0.003371 -0.000598 -0.000989 -0.006928 28O 1dyz 0.006974 -0.006574 -0.000109 -0.003610 -0.006569 0.008548 28O 1dx2y2 0.009374 -0.006875 -0.005184 0.006824 -0.000858 0.003691 28O 1dxy 0.006849 -0.006926 -0.007753 0.002215 -0.003944 0.002021 28O 2dz2 0.048242 -0.036708 -0.014799 -0.023903 -0.089094 -0.038761 28O 2dxz -0.052580 -0.093559 -0.018013 -0.164096 0.105578 -0.004963 28O 2dyz 0.089650 -0.091133 -0.024844 -0.090850 -0.032241 0.024054 28O 2dx2y2 0.061335 0.053161 -0.026311 0.174789 -0.067231 0.006300 28O 2dxy 0.037093 0.008690 -0.004071 0.035108 -0.023203 0.058993 28O 1f0 -0.006016 0.010046 0.001096 0.005235 -0.008154 0.007825 28O 1f+1 0.021894 -0.002040 -0.005757 0.010628 -0.002893 -0.005819 28O 1f-1 0.001175 -0.012718 -0.010388 -0.010928 0.002779 0.007974 28O 1f+2 -0.006046 0.003241 0.012927 -0.009979 0.008651 0.000075 28O 1f-2 0.002038 0.015478 0.002160 0.018260 0.004901 -0.014050 28O 1f+3 0.007667 -0.002632 -0.003093 0.000404 0.001102 -0.007542 28O 1f-3 0.006190 0.006582 0.001388 0.000943 0.001383 -0.001635 29O 1s 0.012398 -0.010797 0.003105 -0.031510 0.017169 0.009823 29O 2s 0.041181 -0.035946 0.010712 -0.105338 0.057511 0.031885 29O 3s -0.243889 0.219176 -0.075650 0.659156 -0.361607 -0.181209 29O 4s 0.380520 -0.293172 0.119968 -1.033049 0.607565 0.143427 29O 5s -0.997538 0.552427 -0.097382 2.111945 -1.360107 -0.141718 29O 1pz -0.019463 0.024772 -0.007069 0.083225 -0.035542 -0.034702 29O 1px 0.052103 -0.061034 0.029174 -0.194579 0.086003 0.098183 29O 1py -0.074125 0.012015 -0.005748 0.113329 -0.056320 0.019128 29O 2pz 0.065333 -0.067323 -0.029145 -0.274373 0.100929 0.082871 29O 2px -0.213525 0.171363 -0.071130 0.528228 -0.276077 -0.216166 29O 2py 0.247455 -0.095416 0.018777 -0.411824 0.224456 0.027968 29O 3pz -0.037571 -0.037604 -0.022294 0.170134 -0.088781 0.100993 29O 3px 0.267654 -0.113523 0.061319 -0.588763 0.324365 -0.030584 29O 3py 0.124669 -0.120148 -0.030431 -0.212746 0.215624 0.160434 29O 1dz2 0.003873 -0.001601 -0.000713 -0.006093 0.002382 0.001058 29O 1dxz 0.004370 0.000489 -0.000269 -0.007314 0.003620 -0.003002 29O 1dyz -0.001100 0.001089 -0.003108 -0.002048 -0.000446 -0.000166 29O 1dx2y2 -0.006746 0.003248 -0.001415 0.007483 -0.003987 -0.000557 29O 1dxy -0.004388 0.000892 0.000510 0.000702 -0.002446 -0.002970 29O 2dz2 -0.027847 0.022954 0.009844 0.071515 -0.032671 -0.026336 29O 2dxz -0.015187 0.031792 -0.017156 0.012217 -0.019189 -0.040640 29O 2dyz -0.016866 0.017208 0.012166 0.056997 -0.018088 -0.017312 29O 2dx2y2 -0.011913 -0.001462 -0.010922 0.001734 -0.001743 0.022008 29O 2dxy 0.054884 -0.036227 0.016577 -0.135784 0.080976 0.024707 29O 1f0 0.004624 -0.005915 0.000992 -0.007886 0.006061 0.006055 29O 1f+1 -0.002513 0.001421 0.001089 0.005624 -0.003891 -0.001122 29O 1f-1 0.003356 -0.005182 -0.000502 -0.006703 0.002324 0.005888 29O 1f+2 0.000377 0.002589 -0.000420 0.001119 -0.001829 -0.002759 29O 1f-2 0.005998 -0.004707 -0.000042 -0.005678 0.003836 0.005534 29O 1f+3 0.005114 -0.001688 -0.000183 -0.005171 0.001783 0.002129 29O 1f-3 -0.001574 0.002747 -0.001415 0.002435 -0.001407 -0.001042 30O 1s 0.000752 -0.004885 0.005216 -0.014652 0.001668 -0.021534 30O 2s -0.000055 -0.017265 0.016422 -0.048606 0.008961 -0.074029 30O 3s 0.033427 0.146040 -0.137528 0.280301 -0.090610 0.523786 30O 4s -0.246598 -0.384391 0.435945 -0.053861 0.266341 -0.803033 30O 5s -0.476159 0.330586 -0.013743 1.496024 -0.470867 1.397283 30O 1pz 0.061408 -0.081146 0.091720 -0.033813 -0.094526 0.032496 30O 1px 0.075086 -0.012915 0.027441 -0.211591 -0.043526 -0.145646 30O 1py -0.091217 -0.018595 -0.071262 0.014509 0.071751 -0.038948 30O 2pz -0.055594 0.199400 -0.250012 -0.065679 0.195951 -0.106389 30O 2px -0.249255 -0.017373 0.041323 0.657058 0.089677 0.369709 30O 2py 0.126094 0.002053 0.223433 0.125323 -0.190830 0.110720 30O 3pz 0.351906 -0.179209 0.083111 -0.292138 -0.423621 0.087461 30O 3px -0.106488 0.097949 0.267099 0.429739 -0.132978 0.094648 30O 3py -0.124214 0.144052 -0.122976 0.453046 0.377529 -0.358891 30O 1dz2 -0.005217 -0.000617 -0.005088 -0.007621 0.005525 -0.001439 30O 1dxz 0.002791 -0.002493 -0.003605 -0.002731 -0.002466 0.000665 30O 1dyz -0.007074 0.001327 -0.006614 0.003622 0.014094 -0.003216 30O 1dx2y2 0.005303 -0.003439 0.005043 0.007464 0.000678 0.001960 30O 1dxy 0.001873 -0.003542 0.003997 0.000880 -0.000812 0.000855 30O 2dz2 0.006413 -0.038728 0.001763 -0.114171 0.006552 -0.035854 30O 2dxz 0.050573 0.001382 -0.019081 -0.061152 -0.018041 -0.027400 30O 2dyz -0.082970 -0.003919 -0.034862 0.039135 0.109562 -0.002458 30O 2dx2y2 -0.069192 -0.021208 0.013761 0.086793 0.060526 0.072941 30O 2dxy -0.033841 0.017825 -0.053922 0.119771 0.061048 0.033105 30O 1f0 -0.003297 -0.003361 -0.000703 0.000921 0.000484 -0.001360 30O 1f+1 -0.007690 0.005306 -0.004519 -0.001293 0.012796 -0.003320 30O 1f-1 -0.014819 -0.000016 -0.008604 0.003169 0.016282 0.003554 30O 1f+2 -0.002393 -0.004078 -0.001230 -0.006854 -0.004037 -0.001259 30O 1f-2 0.000497 0.001151 -0.009947 -0.010951 -0.000536 0.008084 30O 1f+3 0.014116 -0.005341 0.017008 -0.009480 -0.017597 -0.007392 30O 1f-3 -0.005636 0.001600 -0.012162 -0.001234 0.018656 -0.010431 31O 1s -0.000980 -0.004803 -0.005356 0.016562 0.001154 -0.020751 31O 2s -0.000839 -0.016901 -0.016931 0.055097 0.007164 -0.071580 31O 3s -0.025967 0.143527 0.139995 -0.325338 -0.078600 0.507417 31O 4s 0.230936 -0.381312 -0.437473 0.123453 0.254398 -0.782187 31O 5s 0.484524 0.323330 0.035054 -1.661424 -0.437139 1.429603 31O 1pz 0.055221 0.082116 0.088738 -0.036929 0.093341 -0.036422 31O 1px 0.073974 0.012662 0.032658 -0.227547 0.052770 0.151140 31O 1py -0.088072 0.014163 -0.071803 0.017021 -0.071677 0.039965 31O 2pz -0.045143 -0.202087 -0.241706 -0.065897 -0.190850 0.117301 31O 2px -0.245840 0.018595 0.029364 0.697527 -0.111047 -0.379338 31O 2py 0.120366 0.007483 0.221525 0.125102 0.184946 -0.118518 31O 3pz 0.336319 0.181499 0.086662 -0.310197 0.422684 -0.076046 31O 3px -0.109034 -0.087216 0.269145 0.442333 0.125343 -0.098563 31O 3py -0.114916 -0.144521 -0.125223 0.454591 -0.349084 0.382899 31O 1dz2 0.004947 -0.000112 0.004769 0.007641 0.005242 -0.001436 31O 1dxz -0.002686 -0.002392 0.003620 0.002865 -0.002773 0.000061 31O 1dyz 0.006610 0.001517 0.006437 -0.003705 0.014291 -0.004041 31O 1dx2y2 -0.005072 -0.003892 -0.004535 -0.007423 0.001239 0.002327 31O 1dxy -0.001674 -0.003660 -0.003846 -0.000904 -0.000926 0.001207 31O 2dz2 -0.005085 -0.036686 -0.002286 0.118671 0.005552 -0.034008 31O 2dxz -0.050605 0.001858 0.016114 0.066958 -0.021355 -0.027765 31O 2dyz 0.079472 -0.001031 0.033308 -0.040586 0.111538 -0.007364 31O 2dx2y2 0.067556 -0.020574 -0.009716 -0.094589 0.067139 0.080199 31O 2dxy 0.032308 0.018532 0.055342 -0.125855 0.060399 0.028135 31O 1f0 -0.003345 0.003015 -0.000740 0.000903 -0.000303 0.000670 31O 1f+1 -0.006671 -0.005409 -0.004022 -0.000823 -0.012106 0.003056 31O 1f-1 -0.013857 -0.000410 -0.008651 0.004001 -0.016387 -0.003954 31O 1f+2 -0.002481 0.003790 -0.001629 -0.006902 0.003622 0.000274 31O 1f-2 0.000308 -0.001549 -0.009799 -0.010739 0.000802 -0.007740 31O 1f+3 0.013460 0.005958 0.016404 -0.010302 0.016876 0.005249 31O 1f-3 -0.005228 -0.002010 -0.011924 -0.001627 -0.018427 0.010403 32O 1s -0.012279 -0.010562 -0.002530 0.031082 0.016856 0.011404 32O 2s -0.040778 -0.035158 -0.008836 0.103951 0.056481 0.037182 32O 3s 0.241411 0.214024 0.064990 -0.651341 -0.355587 -0.214641 32O 4s -0.377421 -0.284969 -0.110454 1.028346 0.598353 0.195431 32O 5s 0.992292 0.539931 0.081100 -2.113005 -1.335701 -0.241662 32O 1pz -0.017263 -0.023238 -0.004555 0.077808 0.032926 0.038638 32O 1px 0.052415 0.058775 0.024313 -0.190833 -0.084573 -0.108342 32O 1py -0.073995 -0.011978 -0.006368 0.115454 0.055223 -0.013575 32O 2pz 0.057422 0.061728 -0.033776 -0.260329 -0.092401 -0.095062 32O 2px -0.214574 -0.167536 -0.058747 0.521821 0.271628 0.243485 32O 2py 0.245891 0.094543 0.014654 -0.414481 -0.219142 -0.048729 32O 3pz -0.038915 0.037587 -0.024194 0.176983 0.094895 -0.086721 32O 3px 0.265745 0.109348 0.062343 -0.592225 -0.316144 0.000066 32O 3py 0.126849 0.119177 -0.042797 -0.205301 -0.214125 -0.164031 32O 1dz2 -0.003900 -0.001589 0.000728 0.006150 0.002224 0.001349 32O 1dxz -0.004381 0.000544 0.000187 0.007517 0.003703 -0.002501 32O 1dyz 0.001041 0.001115 0.003123 0.002215 -0.000283 -0.000112 32O 1dx2y2 0.006637 0.003296 0.001348 -0.007483 -0.003813 -0.000997 32O 1dxy 0.004506 0.000959 -0.000712 -0.000461 -0.002384 -0.002713 32O 2dz2 0.027260 0.022629 -0.009850 -0.068062 -0.031756 -0.030527 32O 2dxz 0.015957 0.032682 0.015534 -0.011741 -0.019404 -0.040756 32O 2dyz 0.017456 0.017322 -0.012561 -0.059331 -0.017291 -0.021484 32O 2dx2y2 0.012323 -0.001063 0.012740 -0.003328 -0.002481 0.021530 32O 2dxy -0.053523 -0.034581 -0.014477 0.134793 0.078174 0.031894 32O 1f0 0.004289 0.005648 0.000668 -0.007107 -0.005793 -0.006058 32O 1f+1 -0.002811 -0.001678 0.001144 0.005952 0.004167 0.001731 32O 1f-1 0.003535 0.005447 -0.000867 -0.006941 -0.002688 -0.006419 32O 1f+2 0.000173 -0.002910 -0.000312 0.001321 0.001865 0.003119 32O 1f-2 0.005740 0.004534 -0.000512 -0.004818 -0.003454 -0.005475 32O 1f+3 0.005299 0.001928 -0.000248 -0.005182 -0.001781 -0.002448 32O 1f-3 -0.001299 -0.002690 -0.001252 0.002144 0.001182 0.001261 33O 1s 0.006724 -0.002830 -0.000662 0.016900 0.022856 -0.016425 33O 2s 0.025799 -0.006011 -0.003446 0.054971 0.078909 -0.058779 33O 3s -0.190196 -0.005122 0.010070 -0.289703 -0.540439 0.439835 33O 4s 0.442536 0.147027 0.135602 -0.070269 0.788122 -0.691992 33O 5s -1.020007 0.993808 -0.068406 -2.546792 -2.342003 0.814592 33O 1pz 0.053327 0.207136 -0.087162 -0.114826 0.006781 -0.157220 33O 1px -0.087164 0.037537 0.013333 -0.251811 -0.138617 0.122442 33O 1py 0.011569 0.166789 -0.054086 -0.240877 -0.110137 -0.057199 33O 2pz -0.171491 -0.288789 0.224822 -0.108542 -0.207906 0.316776 33O 2px 0.162536 -0.209029 -0.098866 0.874427 0.459971 -0.287191 33O 2py -0.052050 -0.298381 0.121844 0.418260 0.184892 0.085202 33O 3pz -0.202860 0.766743 -0.136960 -0.948195 -0.239943 -0.892805 33O 3px 0.101659 -0.230895 -0.072741 0.609881 0.241871 0.074170 33O 3py -0.010582 0.498434 -0.313508 -0.418318 0.018158 -0.477663 33O 1dz2 -0.000978 -0.001771 -0.000756 0.001268 -0.005273 0.000055 33O 1dxz 0.007339 0.007253 -0.003718 0.000958 -0.000129 -0.006381 33O 1dyz -0.006937 -0.006559 0.000551 0.003004 -0.007120 0.008638 33O 1dx2y2 -0.009137 -0.007243 0.005283 -0.006756 -0.001857 0.003330 33O 1dxy -0.006684 -0.006737 0.007893 -0.002366 -0.004248 0.001690 33O 2dz2 -0.044718 -0.035304 0.015026 0.029640 -0.082234 -0.038686 33O 2dxz 0.051721 -0.091033 0.022189 0.165799 0.111867 0.007806 33O 2dyz -0.089652 -0.087364 0.027596 0.087691 -0.035467 0.029969 33O 2dx2y2 -0.060914 0.048538 0.026197 -0.176183 -0.074278 -0.006289 33O 2dxy -0.036351 0.004628 0.005365 -0.036068 -0.029185 0.053420 33O 1f0 -0.005497 -0.009640 0.000496 0.005623 0.007636 -0.007884 33O 1f+1 0.021533 0.001978 -0.005034 0.010299 0.004388 0.007234 33O 1f-1 0.000902 0.011677 -0.010561 -0.010114 -0.002847 -0.008725 33O 1f+2 -0.005840 -0.002989 0.013102 -0.010223 -0.009058 -0.001100 33O 1f-2 0.002604 -0.014339 0.003181 0.016705 -0.003870 0.014760 33O 1f+3 0.007623 0.002829 -0.003005 -0.000492 -0.001424 0.007827 33O 1f-3 0.006543 -0.005807 0.001548 0.000323 -0.000484 0.001817 34O 1s -0.007977 -0.001985 0.004438 -0.003388 0.008641 -0.018580 34O 2s -0.028890 -0.007603 0.015433 -0.009351 0.028641 -0.064665 34O 3s 0.243690 0.076082 -0.114213 -0.005773 -0.171730 0.508541 34O 4s -0.573948 -0.213393 0.273386 0.455427 0.145553 -1.169818 34O 5s -0.273294 -0.093369 -1.186863 0.770274 -1.272201 0.564060 34O 1pz -0.059629 -0.078184 -0.112122 0.169223 -0.081799 0.003433 34O 1px 0.053378 0.001325 0.071325 -0.041235 0.080228 -0.021027 34O 1py 0.142546 0.008258 0.090650 0.022572 0.046181 0.079813 34O 2pz 0.117966 0.168019 0.202987 -0.375178 0.168345 -0.033255 34O 2px -0.266011 -0.059300 -0.162944 0.375109 -0.363165 -0.155264 34O 2py -0.283263 0.022362 -0.173760 -0.077767 -0.057708 -0.163102 34O 3pz 0.053075 -0.156509 -0.219770 0.199307 0.049816 -0.263578 34O 3px -0.075789 -0.116995 -0.380376 0.547571 -0.031537 -0.142289 34O 3py 0.126279 0.167066 0.334207 -0.171180 -0.151195 0.334303 34O 1dz2 -0.002394 0.005049 0.005640 -0.000436 0.001871 0.001439 34O 1dxz -0.003646 -0.001840 -0.003876 -0.005164 -0.004061 -0.001968 34O 1dyz -0.002458 -0.003948 -0.002483 0.003630 -0.003421 -0.006078 34O 1dx2y2 -0.001391 0.002196 -0.004044 0.002244 0.000204 -0.001915 34O 1dxy -0.001937 -0.003687 0.002506 0.002577 -0.002131 -0.000223 34O 2dz2 -0.029219 0.024516 0.043858 -0.034252 0.026004 -0.003653 34O 2dxz 0.049977 0.034065 0.075213 -0.072293 0.113609 -0.072946 34O 2dyz -0.019183 -0.036027 -0.017396 0.064520 -0.018290 -0.041701 34O 2dx2y2 -0.077492 -0.002651 -0.074977 0.048439 -0.063953 0.000325 34O 2dxy -0.086982 0.018637 -0.034516 -0.040551 -0.045747 -0.028196 34O 1f0 0.006332 0.006129 0.024536 0.004177 0.019720 0.003165 34O 1f+1 0.010995 0.003758 0.001628 0.000015 0.005505 0.013219 34O 1f-1 0.002814 -0.004392 -0.001237 0.001714 0.003691 -0.000582 34O 1f+2 0.001515 -0.004914 -0.009159 -0.002397 -0.005355 -0.009076 34O 1f-2 0.019856 0.005274 0.013682 -0.006802 0.012854 0.012905 34O 1f+3 -0.000438 -0.000416 -0.004481 -0.015326 0.011385 0.013836 34O 1f-3 0.012233 -0.000993 -0.002465 -0.004001 0.005846 0.009514 35O 1s -0.005322 -0.001446 -0.000301 -0.010497 -0.006173 -0.023908 35O 2s -0.019206 -0.007031 -0.001385 -0.034527 -0.021802 -0.082696 35O 3s 0.223967 0.058670 0.031107 0.223598 0.161957 0.666556 35O 4s -0.885332 -0.010076 -0.251818 -0.300575 -0.269087 -1.679803 35O 5s -1.256363 -0.133754 0.477312 0.953228 0.275283 0.730527 35O 1pz -0.121090 -0.191941 0.150762 0.061924 0.022338 -0.042883 35O 1px 0.195183 0.005798 -0.015989 -0.080944 -0.092605 -0.016043 35O 1py -0.000871 -0.115596 -0.025417 0.076263 0.071448 0.067431 35O 2pz 0.201315 0.429939 -0.316186 -0.188346 -0.064550 0.059710 35O 2px -0.788287 0.037745 -0.052693 0.228827 0.139050 -0.284504 35O 2py -0.190633 0.210188 0.060349 -0.152744 -0.180576 -0.287654 35O 3pz 0.119437 -0.481911 0.241531 0.310506 0.524011 -0.105623 35O 3px -0.447772 -0.148547 0.010272 0.332361 0.297195 0.091975 35O 3py -0.125091 -0.451413 -0.023614 0.351965 0.540698 0.093779 35O 1dz2 0.004334 0.000966 0.000870 -0.002200 -0.002499 0.000912 35O 1dxz 0.003695 0.002192 0.000925 -0.001613 -0.001184 -0.001776 35O 1dyz 0.002042 0.010367 -0.002201 -0.003770 -0.002624 0.002803 35O 1dx2y2 -0.005052 0.004634 -0.005253 0.002536 0.005623 -0.000254 35O 1dxy -0.006287 0.002329 0.005251 -0.002647 0.000066 -0.006638 35O 2dz2 0.073807 0.046867 -0.019814 -0.050552 -0.036345 -0.012518 35O 2dxz 0.150369 0.088758 -0.068057 0.037163 0.043934 -0.036193 35O 2dyz 0.082161 0.086990 -0.029272 -0.016468 -0.029300 0.028359 35O 2dx2y2 -0.145210 -0.042310 0.004725 0.048582 0.026822 0.067951 35O 2dxy 0.002558 -0.002904 0.018988 0.034038 0.024910 -0.008060 35O 1f0 -0.002752 -0.007354 0.005603 0.012663 0.000985 -0.007605 35O 1f+1 0.003299 -0.006412 0.008300 -0.000232 0.004700 0.005637 35O 1f-1 -0.000647 -0.000801 0.006163 -0.000147 -0.003230 0.012389 35O 1f+2 0.017958 0.017025 -0.010212 -0.012313 0.001498 0.009004 35O 1f-2 -0.013520 -0.004842 0.004822 -0.007278 0.002361 0.001654 35O 1f+3 -0.004783 -0.026711 0.025468 -0.005643 -0.004598 0.002537 35O 1f-3 0.021677 0.007931 -0.008357 0.003335 0.005628 0.021420 504 505 506 507 508 509 3.14111 3.14418 3.14800 3.16724 3.18544 3.19897 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s 0.000086 -0.000154 0.000516 0.001188 0.000138 0.002095 0Rh 2s -0.000670 0.001457 -0.002475 -0.015639 -0.004914 -0.014219 0Rh 3s 0.000104 -0.000029 0.001564 -0.002434 -0.002165 0.003822 0Rh 4s 0.003726 -0.007763 0.013217 0.082666 0.025637 0.075965 0Rh 5s -0.009569 0.016663 -0.019719 -0.186553 -0.061666 -0.143933 0Rh 6s 0.017294 -0.014940 -0.018088 0.195988 0.072282 0.048499 0Rh 7s 0.053526 0.014625 0.228866 -0.427959 -0.021771 0.405592 0Rh 8s 0.140731 0.041846 -0.076592 0.167008 0.002335 -0.169857 0Rh 1pz 0.003196 0.002019 0.001325 -0.000974 -0.007008 -0.003950 0Rh 1px -0.001899 0.001017 0.002290 -0.003942 -0.005912 0.005116 0Rh 1py 0.001923 -0.002799 0.004472 -0.003230 0.003311 -0.005356 0Rh 2pz -0.012313 -0.007306 -0.005023 0.003663 0.026889 0.015040 0Rh 2px 0.006900 -0.003792 -0.008563 0.014528 0.022543 -0.019363 0Rh 2py -0.006825 0.011029 -0.016743 0.012353 -0.012625 0.020750 0Rh 3pz 0.027326 0.006308 0.009594 -0.006142 -0.059502 -0.030716 0Rh 3px -0.006245 0.005820 0.013380 -0.017831 -0.045636 0.034510 0Rh 3py 0.002786 -0.029688 0.026898 -0.026544 0.026357 -0.049958 0Rh 4pz -0.019468 0.032807 -0.002040 -0.003201 0.054226 0.018064 0Rh 4px -0.031817 0.005375 0.013260 -0.044866 0.019010 0.013947 0Rh 4py 0.044816 0.041589 0.018810 0.021613 -0.018569 0.058767 0Rh 5pz 0.007998 -0.085457 0.001354 0.001223 -0.073215 -0.004743 0Rh 5px 0.093908 -0.019866 -0.057400 0.135505 0.008790 -0.102703 0Rh 5py -0.109289 -0.062746 -0.057613 -0.024853 0.019047 -0.081199 0Rh 6pz 0.407776 0.406093 -0.148696 0.516242 -1.409571 -1.090066 0Rh 6px -0.659640 0.175890 0.309239 -0.042612 -0.630932 0.605404 0Rh 6py 0.450196 -0.177181 -0.406539 -0.592925 0.684229 -1.742660 0Rh 1dz2 -0.006152 0.015942 -0.008703 -0.006688 -0.021318 -0.006643 0Rh 1dxz -0.001827 -0.013698 -0.002096 -0.010440 0.006121 0.012922 0Rh 1dyz -0.002754 0.010437 -0.019107 -0.006459 0.007959 0.005662 0Rh 1dx2y2 0.011389 0.002961 -0.011953 0.012116 0.016076 -0.007396 0Rh 1dxy -0.015542 -0.003387 -0.010112 0.015369 -0.006922 -0.003107 0Rh 2dz2 -0.000906 0.002147 -0.000877 0.000180 -0.002043 -0.000866 0Rh 2dxz -0.000378 -0.002616 -0.001227 0.000367 0.001965 0.000727 0Rh 2dyz 0.001099 -0.000179 -0.000258 0.000348 0.000771 0.001189 0Rh 2dx2y2 0.002973 -0.000065 -0.001227 -0.000320 0.000106 -0.000332 0Rh 2dxy -0.002505 -0.001828 -0.000870 0.001355 -0.001835 0.000454 0Rh 3dz2 0.023773 -0.060577 0.031548 0.020632 0.077942 0.025319 0Rh 3dxz 0.007795 0.055575 0.012107 0.032018 -0.028431 -0.045303 0Rh 3dyz 0.003785 -0.032483 0.061805 0.019190 -0.029263 -0.023751 0Rh 3dx2y2 -0.050002 -0.009182 0.043837 -0.037510 -0.052422 0.025714 0Rh 3dxy 0.060941 0.018955 0.036055 -0.055543 0.030622 0.008206 0Rh 4dz2 -0.022596 0.054370 -0.020623 -0.008754 -0.063736 -0.021741 0Rh 4dxz -0.012329 -0.057486 -0.018663 -0.014412 0.033321 0.035211 0Rh 4dyz 0.011378 0.013049 -0.022878 -0.005931 0.024934 0.026820 0Rh 4dx2y2 0.061898 0.002729 -0.035269 0.017706 0.030677 -0.021618 0Rh 4dxy -0.058042 -0.028456 -0.023083 0.043656 -0.035137 -0.002346 0Rh 5dz2 0.006300 -0.023183 -0.089710 -0.008122 -0.045344 -0.019983 0Rh 5dxz 0.039294 0.030647 0.020893 -0.022579 0.062311 0.031384 0Rh 5dyz -0.034849 0.007405 -0.259088 -0.033539 0.009676 0.002657 0Rh 5dx2y2 -0.060005 0.026085 -0.036095 -0.000045 0.032683 0.015625 0Rh 5dxy 0.022989 0.000309 -0.086988 0.042607 -0.029703 0.051433 0Rh 1f0 -0.002930 -0.002656 -0.018703 0.009586 -0.030545 0.024810 0Rh 1f+1 0.021984 -0.002264 0.002995 0.014291 0.012555 -0.005293 0Rh 1f-1 0.013475 0.005355 -0.036903 0.023373 0.020990 0.034681 0Rh 1f+2 -0.009021 -0.003460 -0.009097 -0.000065 -0.037916 -0.021434 0Rh 1f-2 0.012937 -0.025582 0.010393 0.012106 -0.014181 0.013317 0Rh 1f+3 0.009848 0.015519 -0.000530 0.007934 0.034839 -0.019031 0Rh 1f-3 0.001276 -0.004387 -0.033555 0.003714 -0.008762 -0.005604 1Rh 1s -0.000163 0.000240 0.000551 0.001201 0.000123 0.001979 1Rh 2s 0.001634 -0.001952 -0.002752 -0.015787 -0.004808 -0.013253 1Rh 3s 0.000023 0.000242 0.001601 -0.002447 -0.002189 0.003717 1Rh 4s -0.008754 0.010397 0.014706 0.083455 0.025058 0.070808 1Rh 5s 0.019967 -0.021128 -0.022857 -0.188359 -0.060372 -0.133329 1Rh 6s -0.022896 0.014064 -0.015402 0.198058 0.070810 0.041117 1Rh 7s -0.092719 0.018976 0.234061 -0.426346 -0.028905 0.400722 1Rh 8s -0.142119 -0.056215 -0.072405 0.168486 -0.017480 -0.148288 1Rh 1pz 0.002785 0.002356 -0.001150 0.001054 0.007081 0.005177 1Rh 1px -0.001917 0.000730 -0.002033 0.003985 0.005775 -0.004859 1Rh 1py 0.001676 -0.002285 -0.004907 0.003395 -0.003335 0.004669 1Rh 2pz -0.010805 -0.008566 0.004418 -0.003984 -0.027161 -0.019644 1Rh 2px 0.007004 -0.002727 0.007621 -0.014698 -0.022037 0.018365 1Rh 2py -0.005889 0.009087 0.018404 -0.012968 0.012729 -0.017966 1Rh 3pz 0.025519 0.008280 -0.009721 0.007119 0.059882 0.038348 1Rh 3px -0.007178 0.004302 -0.012223 0.018230 0.045001 -0.032240 1Rh 3py 0.001084 -0.026303 -0.030288 0.027528 -0.026863 0.041537 1Rh 4pz -0.023785 0.034345 0.007674 0.001391 -0.053654 -0.014112 1Rh 4px -0.028603 0.002986 -0.010526 0.044626 -0.020535 -0.015075 1Rh 4py 0.044689 0.042868 -0.017402 -0.020949 0.020108 -0.047897 1Rh 5pz 0.018329 -0.090443 -0.014325 0.002457 0.071273 -0.011548 1Rh 5px 0.087683 -0.011356 0.049401 -0.136690 -0.003898 0.100596 1Rh 5py -0.108148 -0.067870 0.058490 0.022352 -0.022530 0.067614 1Rh 6pz 0.448016 0.440101 0.194533 -0.527832 1.430319 1.282740 1Rh 6px -0.614361 0.149774 -0.258634 0.086568 0.598418 -0.523195 1Rh 6py 0.483698 -0.177565 0.343161 0.617124 -0.673723 1.935019 1Rh 1dz2 0.006014 -0.013884 -0.010725 -0.006620 -0.021400 -0.008193 1Rh 1dxz 0.002242 0.013808 -0.000247 -0.010918 0.005979 0.013809 1Rh 1dyz 0.002002 -0.007311 -0.019330 -0.006680 0.008195 0.003055 1Rh 1dx2y2 -0.012665 -0.001901 -0.011624 0.012235 0.016380 -0.013443 1Rh 1dxy 0.014649 0.002839 -0.010800 0.016283 -0.007133 0.015480 1Rh 2dz2 0.000759 -0.001970 -0.001206 0.000183 -0.002008 -0.001091 1Rh 2dxz 0.000193 0.002656 -0.000893 0.000302 0.002004 0.000806 1Rh 2dyz -0.001138 0.000140 -0.000090 0.000255 0.000784 0.001179 1Rh 2dx2y2 -0.002812 0.000204 -0.001016 -0.000338 0.000001 -0.000866 1Rh 2dxy 0.002526 0.001723 -0.000846 0.001479 -0.001896 0.001751 1Rh 3dz2 -0.022696 0.053243 0.039497 0.020408 0.078041 0.031274 1Rh 3dxz -0.008317 -0.056110 0.004695 0.033855 -0.028173 -0.048493 1Rh 3dyz -0.001238 0.022737 0.061759 0.020319 -0.030089 -0.015354 1Rh 3dx2y2 0.053385 0.005178 0.041820 -0.037829 -0.052908 0.047730 1Rh 3dxy -0.058184 -0.016680 0.038170 -0.059051 0.031585 -0.058013 1Rh 4dz2 0.020931 -0.049437 -0.028433 -0.008752 -0.063201 -0.025531 1Rh 4dxz 0.011030 0.058335 -0.011349 -0.016213 0.033989 0.037490 1Rh 4dyz -0.012370 -0.010208 -0.020995 -0.007600 0.025531 0.026168 1Rh 4dx2y2 -0.062317 0.000466 -0.031562 0.017922 0.029291 -0.039263 1Rh 4dxy 0.056982 0.025384 -0.024126 0.046972 -0.036465 0.050518 1Rh 5dz2 -0.013623 0.037128 -0.083564 -0.007466 -0.049384 -0.063511 1Rh 5dxz -0.042010 -0.033229 0.019508 -0.022038 0.056355 0.037227 1Rh 5dyz 0.020763 0.031827 -0.256802 -0.033169 0.009744 -0.105271 1Rh 5dx2y2 0.062959 -0.020179 -0.044127 -0.001018 0.042859 -0.003512 1Rh 5dxy -0.026167 0.008582 -0.084620 0.041215 -0.027587 0.048254 1Rh 1f0 -0.001722 -0.005518 0.018040 -0.009436 0.030513 -0.018560 1Rh 1f+1 0.022979 -0.000823 -0.003798 -0.014048 -0.012312 0.000732 1Rh 1f-1 0.017000 0.000921 0.036558 -0.023830 -0.020662 -0.031833 1Rh 1f+2 -0.010601 -0.002994 0.008999 -0.000736 0.038380 0.030114 1Rh 1f-2 0.011834 -0.022899 -0.013116 -0.012118 0.014667 -0.017766 1Rh 1f+3 0.010931 0.016133 0.001925 -0.008260 -0.034968 0.019291 1Rh 1f-3 0.002864 -0.007641 0.032762 -0.004085 0.008564 0.001347 2C 1s -0.009204 -0.000219 0.018824 -0.006050 0.000445 -0.005868 2C 2s -0.027421 -0.001047 0.057026 -0.019144 0.000325 -0.018728 2C 3s 0.091895 0.031571 0.062830 -0.016706 -0.016456 0.221775 2C 4s 0.275169 -0.108510 -2.027996 0.516192 0.040078 -0.500762 2C 5s -0.434878 -0.468374 -0.420194 0.619851 0.534275 0.501025 2C 1pz 0.010315 0.033489 0.000418 -0.023878 0.007451 0.110841 2C 1px -0.028370 0.022259 -0.010451 -0.027936 -0.042927 -0.067018 2C 1py 0.078398 -0.029940 -0.037926 0.046952 0.001442 0.024338 2C 2pz -0.118839 -0.152508 -0.590221 0.258964 -0.191314 -0.702644 2C 2px 0.345783 -0.204042 -0.149655 0.247901 0.315645 0.383818 2C 2py -0.596562 0.138518 -0.202722 -0.274598 0.221527 -0.161109 2C 3pz 0.027386 -0.144454 -0.354825 0.341325 0.253943 0.180671 2C 3px 0.306793 -0.322463 -0.286614 0.231776 -0.014235 -0.174081 2C 3py -0.326882 0.126104 -0.121520 -0.134984 -0.016855 0.149189 2C 1dz2 -0.132948 0.120205 0.129993 -0.202951 -0.036884 -0.045023 2C 1dxz -0.033189 0.034311 0.059087 -0.000200 0.030047 0.092772 2C 1dyz 0.082337 -0.137322 0.052484 0.060017 -0.006370 -0.019708 2C 1dx2y2 -0.264183 0.254135 0.140326 -0.193615 -0.046953 0.055655 2C 1dxy -0.331802 0.279025 0.210489 -0.251812 -0.064018 0.120874 2C 2dz2 0.111486 -0.154697 -0.319075 0.317601 -0.069294 -0.267054 2C 2dxz -0.063502 -0.064118 0.088712 -0.155593 0.015747 0.186583 2C 2dyz -0.242545 0.150988 -0.347495 0.023574 0.107483 -0.118281 2C 2dx2y2 0.388859 -0.275795 -0.182502 0.356221 0.143124 0.084189 2C 2dxy 0.519164 -0.308115 -0.236344 0.352960 0.091735 -0.012395 2C 1f0 0.012052 -0.077913 -0.093627 0.068424 0.004469 -0.014849 2C 1f+1 0.025196 -0.112571 -0.065677 0.003815 0.060319 0.006759 2C 1f-1 0.006149 0.027658 -0.173459 0.075910 0.040637 -0.007601 2C 1f+2 0.012293 -0.083010 0.023815 0.018610 0.048942 0.005591 2C 1f-2 0.056720 -0.064683 -0.026629 0.018780 -0.028664 0.013823 2C 1f+3 -0.008638 0.032380 -0.003593 0.001414 -0.046297 -0.004777 2C 1f-3 -0.017674 0.059600 -0.019926 0.016291 -0.031921 -0.012634 3C 1s 0.000276 -0.009362 -0.025815 -0.006662 -0.004854 -0.012340 3C 2s -0.000348 -0.027979 -0.077088 -0.019540 -0.016364 -0.035559 3C 3s 0.077437 0.100776 -0.002514 -0.153625 0.115033 -0.092867 3C 4s -0.351687 0.266237 2.270232 1.240118 -0.213694 1.607015 3C 5s 0.224663 -0.453452 0.740166 0.841013 0.263682 0.786834 3C 1pz 0.078547 0.084233 0.037795 0.019965 0.059434 -0.021201 3C 1px 0.014691 0.024779 0.032568 0.052067 -0.050979 0.014593 3C 1py 0.005078 -0.006684 -0.015460 0.096425 -0.051307 0.016052 3C 2pz -0.491807 -0.709991 0.105368 0.009515 -0.534594 0.464481 3C 2px 0.012494 -0.087378 -0.001812 -0.271012 0.300263 -0.175643 3C 2py -0.073611 0.019324 -0.438282 -0.771055 0.317774 -0.560631 3C 3pz -0.293969 -0.447038 0.063322 -0.223066 0.005688 0.270964 3C 3px -0.132038 0.144075 0.229265 0.169353 -0.065747 0.169492 3C 3py -0.275601 -0.071830 -0.547547 -0.450709 -0.206208 -0.309052 3C 1dz2 0.470874 0.447359 0.243909 0.480508 0.074098 -0.074318 3C 1dxz 0.060993 0.107908 0.004673 0.029864 0.059510 -0.056874 3C 1dyz -0.066112 -0.032442 0.093883 -0.004422 0.052228 0.087219 3C 1dx2y2 0.044082 -0.116268 0.063131 0.005283 0.045324 0.115391 3C 1dxy -0.206159 0.053685 0.041455 -0.027153 -0.053151 -0.016559 3C 2dz2 -0.592799 -0.639015 -0.305720 -0.615202 -0.201612 0.072604 3C 2dxz -0.091588 -0.137290 -0.035158 -0.011748 -0.217010 0.144453 3C 2dyz 0.093102 0.103185 -0.299683 -0.265272 -0.013539 -0.220398 3C 2dx2y2 0.027454 0.262265 -0.145649 -0.161024 0.225322 -0.333736 3C 2dxy 0.196277 0.091362 -0.021857 0.222494 -0.057706 -0.018175 3C 1f0 0.016971 0.001602 -0.069334 -0.031829 -0.040845 -0.051617 3C 1f+1 -0.063646 -0.012684 0.009293 -0.006731 0.018987 0.056867 3C 1f-1 0.119248 0.071926 0.042617 0.092792 -0.013704 -0.014527 3C 1f+2 -0.040308 0.005451 -0.105894 -0.042079 -0.045954 -0.041755 3C 1f-2 0.090243 -0.042310 -0.057069 -0.003206 0.035744 -0.081422 3C 1f+3 0.050477 0.029598 0.097380 0.059798 0.000171 0.017358 3C 1f-3 -0.071188 0.020662 -0.094691 -0.077596 0.017137 -0.068398 4C 1s 0.001327 -0.001154 -0.007947 0.001461 -0.002360 0.001632 4C 2s 0.003809 -0.001372 -0.024546 0.004162 -0.006385 0.006534 4C 3s 0.032325 -0.217378 -0.300165 0.268520 0.151104 -0.355694 4C 4s -0.065249 0.976486 1.807149 -0.983613 -0.374275 1.337980 4C 5s 0.577203 1.230756 1.350601 -0.684596 -0.213978 -0.098911 4C 1pz 0.017081 -0.026215 0.083426 0.027364 0.016950 -0.012420 4C 1px 0.004243 0.020668 -0.029595 0.046070 0.039611 0.045435 4C 1py -0.033307 0.000479 0.047817 0.014599 0.049829 0.009269 4C 2pz -0.452183 0.436570 -0.608125 -0.130411 -0.252822 -0.610613 4C 2px 0.063398 -0.072775 0.470423 -0.304491 0.388541 1.088825 4C 2py -0.002689 0.037865 -0.299439 -0.018771 -0.057270 0.045703 4C 3pz -0.181320 0.152608 -0.159306 0.031862 0.334540 0.478506 4C 3px -0.558087 0.582777 0.023363 0.048393 0.342427 0.555764 4C 3py 0.205991 0.119606 -0.158041 0.506009 0.429956 0.365692 4C 1dz2 -0.042263 0.073943 0.036719 -0.094132 0.084947 0.083718 4C 1dxz -0.124784 0.202020 -0.016640 -0.035035 -0.037270 -0.113248 4C 1dyz 0.019351 -0.082864 -0.145249 0.079772 -0.015717 -0.059077 4C 1dx2y2 -0.042805 0.020373 -0.120191 -0.007789 0.055352 -0.126758 4C 1dxy -0.009064 -0.069139 -0.169613 0.147075 0.020851 -0.109229 4C 2dz2 0.008810 -0.095577 -0.114625 0.315095 -0.185794 -0.671313 4C 2dxz 0.424652 -0.476976 0.391781 0.103998 0.310204 0.928004 4C 2dyz -0.153939 0.334740 0.692747 -0.272853 -0.115865 0.157201 4C 2dx2y2 0.195154 -0.024674 0.185135 -0.078342 -0.246790 0.368162 4C 2dxy 0.029258 0.028113 0.643488 -0.522220 0.403891 0.953716 4C 1f0 -0.022390 -0.043384 -0.097449 -0.038998 0.142851 -0.047285 4C 1f+1 -0.068612 -0.001288 -0.076462 0.046014 -0.042815 -0.002747 4C 1f-1 0.029128 0.051582 -0.244095 0.142832 -0.021622 0.033277 4C 1f+2 -0.129935 0.078724 0.125849 -0.091119 -0.054134 0.020675 4C 1f-2 -0.011606 0.015468 -0.031707 -0.016846 0.076081 0.048200 4C 1f+3 -0.062926 0.035751 -0.078254 -0.014958 0.109271 -0.038257 4C 1f-3 0.034418 -0.012174 -0.117910 0.102299 -0.006324 -0.127318 5C 1s 0.003465 0.001745 0.008042 -0.000818 0.001013 0.000997 5C 2s 0.009226 0.004579 0.025291 -0.003651 0.004317 0.003352 5C 3s 0.137435 0.066293 0.127158 0.410703 0.089929 -0.049859 5C 4s -0.802625 -0.262067 -1.100824 -1.499168 -0.235522 -0.096687 5C 5s -1.282130 0.293013 -1.287937 -0.708601 -0.496649 -0.370177 5C 1pz 0.006737 -0.028732 -0.085966 -0.009186 0.001068 -0.054481 5C 1px 0.013517 -0.019493 -0.015712 -0.015186 0.086063 -0.046003 5C 1py -0.042124 -0.021494 0.107614 -0.010553 -0.037325 0.081099 5C 2pz -0.233194 -0.087761 0.626615 0.553949 -0.487486 0.776810 5C 2px -0.006593 0.001006 -0.224925 -0.617701 0.450808 -0.117489 5C 2py 0.727694 0.523202 -0.649123 -0.313332 0.654806 -1.093536 5C 3pz -0.071756 0.372238 0.471464 0.674255 0.030563 0.400967 5C 3px 0.134296 -0.545614 0.095888 -0.128250 0.657488 0.153538 5C 3py 0.597815 0.379160 -0.532851 -0.212985 -0.032590 -0.774956 5C 1dz2 0.003313 0.078534 -0.112720 -0.048766 -0.031021 0.016578 5C 1dxz 0.079131 -0.022556 0.054771 0.038918 -0.013251 0.148094 5C 1dyz -0.165200 -0.085171 -0.086713 -0.082239 -0.051518 0.035226 5C 1dx2y2 0.162490 0.070450 0.099107 0.152488 0.038446 -0.023098 5C 1dxy 0.082013 0.072973 -0.037522 -0.079702 0.040431 -0.066015 5C 2dz2 -0.128795 -0.172752 0.292722 0.344466 -0.080376 0.171930 5C 2dxz 0.002861 -0.069374 -0.375848 -0.485995 0.369225 -0.718651 5C 2dyz 0.499420 0.364336 0.394599 0.208715 0.355461 -0.077662 5C 2dx2y2 -0.354018 -0.102961 -0.093879 -0.655850 0.011005 0.166521 5C 2dxy -0.204257 -0.218996 0.578057 0.680662 -0.625706 0.515196 5C 1f0 0.022330 0.041772 -0.177586 -0.072372 0.018063 -0.073066 5C 1f+1 0.081263 0.044733 0.026679 0.078064 0.011989 -0.108307 5C 1f-1 -0.013607 -0.091456 -0.056728 -0.079056 -0.050618 -0.081664 5C 1f+2 0.002298 -0.083705 -0.148862 -0.058676 -0.082584 -0.104713 5C 1f-2 -0.064464 -0.071046 -0.097217 -0.045411 -0.050266 0.047859 5C 1f+3 -0.012314 -0.042441 0.167894 0.084769 0.101948 0.147222 5C 1f-3 -0.028461 0.003948 -0.089484 -0.048477 -0.004397 0.065658 6C 1s -0.002609 -0.002630 0.008016 -0.000905 0.001059 -0.000021 6C 2s -0.006757 -0.007234 0.025134 -0.003869 0.004507 0.000517 6C 3s -0.165747 -0.109899 0.136103 0.403196 0.091147 -0.320461 6C 4s 0.859817 0.512697 -1.156930 -1.455293 -0.244538 1.473111 6C 5s 1.322390 -0.122927 -1.440646 -0.659214 -0.489701 0.267132 6C 1pz 0.010822 -0.038801 0.081505 0.008960 -0.000177 -0.017165 6C 1px 0.015284 -0.021430 0.013420 0.015519 -0.086424 0.019089 6C 1py -0.045916 -0.007963 -0.107988 0.010752 0.036348 0.042624 6C 2pz -0.238010 0.015560 -0.619126 -0.547110 0.470984 0.397239 6C 2px -0.015401 -0.060593 0.234154 0.601904 -0.440877 0.246693 6C 2py 0.722224 0.400227 0.670959 0.314572 -0.632796 -0.641149 6C 3pz -0.030254 0.406136 -0.420307 -0.676171 -0.038459 0.151672 6C 3px 0.175510 -0.620636 -0.130584 0.130477 -0.668066 -0.164933 6C 3py 0.509642 0.328976 0.539483 0.225298 0.056640 0.108506 6C 1dz2 0.005349 -0.063191 -0.123224 -0.047607 -0.031312 0.088078 6C 1dxz -0.073514 0.031751 0.056056 0.038519 -0.011108 0.061093 6C 1dyz 0.155747 0.101309 -0.085768 -0.078420 -0.051265 0.085632 6C 1dx2y2 -0.161834 -0.082367 0.099875 0.148716 0.038894 0.031959 6C 1dxy -0.077409 -0.057417 -0.043128 -0.078345 0.035202 0.041484 6C 2dz2 0.108739 0.106173 0.317154 0.337274 -0.071260 -0.072235 6C 2dxz -0.019419 0.113634 -0.358690 -0.474620 0.352711 -0.160240 6C 2dyz -0.474279 -0.418714 0.379152 0.199315 0.353043 -0.437237 6C 2dx2y2 0.367938 0.127579 -0.104483 -0.642775 0.004887 -0.207014 6C 2dxy 0.195620 0.102987 0.596771 0.665882 -0.606514 -0.343095 6C 1f0 0.014997 0.026738 0.177816 0.070547 -0.015079 -0.150605 6C 1f+1 0.079214 0.049909 -0.025838 -0.076870 -0.011573 0.050136 6C 1f-1 -0.010119 -0.098515 0.046468 0.078395 0.052096 0.059953 6C 1f+2 0.004046 -0.102395 0.139050 0.060108 0.085796 0.001004 6C 1f-2 -0.063974 -0.079175 0.092126 0.045068 0.050528 -0.107820 6C 1f+3 -0.011743 -0.021800 -0.171418 -0.081174 -0.106383 -0.055294 6C 1f-3 -0.030848 -0.016239 0.094116 0.048235 0.004294 -0.104109 7C 1s -0.001332 0.001991 -0.007745 0.001491 -0.002297 0.003218 7C 2s -0.004037 0.003859 -0.024195 0.004325 -0.006167 0.010589 7C 3s -0.075366 0.257062 -0.272421 0.263859 0.148375 -0.087327 7C 4s 0.236076 -1.206200 1.687371 -0.963770 -0.374553 -0.115997 7C 5s -0.419326 -1.422148 1.223880 -0.702798 -0.221788 -0.815674 7C 1pz 0.011424 -0.007064 -0.087268 -0.029369 -0.016724 0.078310 7C 1px 0.008239 0.020075 0.031717 -0.046487 -0.040040 -0.050207 7C 1py -0.033817 0.014057 -0.044789 -0.017381 -0.051226 0.047756 7C 2pz -0.379968 0.286542 0.682765 0.146942 0.254323 -0.409326 7C 2px 0.001579 0.017078 -0.477887 0.286556 -0.382167 -0.725646 7C 2py 0.009580 -0.043985 0.295619 0.031344 0.066644 -0.552409 7C 3pz -0.056214 0.055633 0.198876 -0.045488 -0.308643 -0.623386 7C 3px -0.512724 0.670795 0.065396 -0.084525 -0.365834 -0.312080 7C 3py 0.290083 0.055939 0.140196 -0.509117 -0.414915 -0.429209 7C 1dz2 0.046090 -0.080824 0.025134 -0.093310 0.085759 0.076747 7C 1dxz 0.111937 -0.209028 -0.049547 -0.032993 -0.032038 -0.016682 7C 1dyz -0.021683 0.092517 -0.135576 0.079080 -0.015683 0.022669 7C 1dx2y2 0.026351 -0.014363 -0.126754 -0.008112 0.055933 -0.094064 7C 1dxy -0.011262 0.092170 -0.159341 0.147763 0.024146 -0.049174 7C 2dz2 -0.032569 0.114385 -0.095295 0.312591 -0.181403 -0.690661 7C 2dxz -0.361899 0.408380 0.474154 0.115087 0.293007 0.384643 7C 2dyz 0.181145 -0.422002 0.644842 -0.260311 -0.114840 -0.252980 7C 2dx2y2 -0.155939 0.043529 0.205384 -0.090339 -0.253389 0.413876 7C 2dxy 0.047901 -0.127797 0.633495 -0.511529 0.396735 0.411341 7C 1f0 -0.015607 -0.051049 0.095801 0.036472 -0.144823 0.079656 7C 1f+1 -0.058784 -0.007050 0.078855 -0.047251 0.041806 -0.030579 7C 1f-1 0.058343 0.019628 0.249515 -0.141912 0.021353 -0.194874 7C 1f+2 -0.135963 0.095250 -0.111022 0.091215 0.052058 0.031795 7C 1f-2 -0.009884 0.007465 0.031609 0.017407 -0.076735 -0.065288 7C 1f+3 -0.052638 0.021098 0.081421 0.016233 -0.112886 0.005251 7C 1f-3 0.044207 -0.024386 0.112809 -0.101566 0.006444 0.087342 8C 1s -0.000398 0.011784 -0.024581 -0.006594 -0.005087 0.003479 8C 2s -0.000074 0.035150 -0.073415 -0.019317 -0.017093 0.010225 8C 3s -0.067515 -0.079842 -0.013599 -0.152939 0.113000 0.198665 8C 4s 0.334852 -0.589215 2.223237 1.225972 -0.180026 -1.442365 8C 5s -0.338157 0.385706 0.816959 0.828370 0.274848 0.084415 8C 1pz 0.074759 0.081367 -0.029748 -0.019464 -0.059040 -0.003069 8C 1px 0.012145 0.028819 -0.029901 -0.049745 0.050155 -0.006979 8C 1py 0.009453 -0.003351 0.013773 -0.095534 0.051330 0.053196 8C 2pz -0.467997 -0.647333 -0.175407 -0.005027 0.526890 0.432710 8C 2px 0.015039 -0.073200 -0.012292 0.257348 -0.297041 0.389725 8C 2py -0.070859 -0.086196 0.446434 0.755308 -0.304236 -0.673330 8C 3pz -0.267709 -0.435796 -0.102781 0.220244 -0.012632 -0.113341 8C 3px -0.120235 0.208291 -0.222893 -0.173270 0.059431 0.047880 8C 3py -0.299455 -0.107506 0.548008 0.440849 0.211081 -0.166575 8C 1dz2 -0.456216 -0.465771 0.207064 0.472619 0.074113 -0.182162 8C 1dxz -0.050984 -0.108308 -0.005561 0.025795 0.058186 -0.010516 8C 1dyz 0.062945 0.025956 0.092355 -0.004938 0.054368 -0.031113 8C 1dx2y2 -0.050067 0.128504 0.073594 0.003561 0.045929 0.041585 8C 1dxy 0.206537 -0.086567 0.032716 -0.022829 -0.049808 -0.057921 8C 2dz2 0.573201 0.658388 -0.250772 -0.604644 -0.204819 0.215640 8C 2dxz 0.083204 0.136100 -0.022532 -0.010025 -0.214169 -0.049799 8C 2dyz -0.084190 -0.047594 -0.306851 -0.260084 -0.024346 0.330938 8C 2dx2y2 -0.025054 -0.241445 -0.172317 -0.155379 0.220469 0.108921 8C 2dxy -0.199255 -0.063448 -0.030045 0.215674 -0.055950 0.191192 8C 1f0 0.020626 -0.010634 0.067453 0.030626 0.043744 -0.023536 8C 1f+1 -0.063666 -0.009438 -0.007718 0.006805 -0.020586 -0.052969 8C 1f-1 0.116642 0.076907 -0.039380 -0.089607 0.013981 0.019823 8C 1f+2 -0.041122 -0.002376 0.106975 0.041220 0.047696 -0.043512 8C 1f-2 0.091952 -0.056031 0.051050 0.004394 -0.033838 -0.011637 8C 1f+3 0.047485 0.043191 -0.095052 -0.058457 -0.000089 0.124313 8C 1f-3 -0.070705 0.013228 0.098134 0.074818 -0.015221 -0.069832 9C 1s 0.011103 -0.003391 0.018306 -0.005661 0.000587 -0.015688 9C 2s 0.033120 -0.009496 0.055561 -0.018088 0.000687 -0.047133 9C 3s -0.080611 -0.050284 0.063036 -0.014208 -0.013721 0.034947 9C 4s -0.476392 0.503578 -1.994691 0.471290 0.021674 1.366050 9C 5s 0.261122 0.592971 -0.379153 0.644168 0.505838 0.674024 9C 1pz 0.008219 0.041864 0.005740 0.021344 -0.009323 -0.065420 9C 1px -0.028427 0.018224 0.014255 0.029599 0.041989 0.049219 9C 1py 0.075871 -0.036170 0.027388 -0.044409 -0.001494 -0.011486 9C 2pz -0.081367 -0.272006 0.560216 -0.236102 0.198588 -0.170754 9C 2px 0.346527 -0.186562 0.114117 -0.260250 -0.302126 -0.285397 9C 2py -0.558476 0.122158 0.274118 0.258061 -0.229918 -0.187565 9C 3pz 0.090944 -0.223690 0.316785 -0.340246 -0.246584 -0.380796 9C 3px 0.329322 -0.381326 0.241228 -0.225719 0.019804 0.024591 9C 3py -0.277267 0.110046 0.174971 0.118449 0.015607 -0.291780 9C 1dz2 0.139211 -0.159279 0.087997 -0.196473 -0.034910 -0.075816 9C 1dxz 0.035926 -0.040117 0.059626 -0.000299 0.032480 0.066687 9C 1dyz -0.065823 0.142117 0.085466 0.055535 -0.006785 -0.106539 9C 1dx2y2 0.252354 -0.263541 0.096070 -0.181815 -0.040248 0.086697 9C 1dxy 0.336848 -0.326646 0.155612 -0.244614 -0.059478 0.106852 9C 2dz2 -0.130759 0.230135 -0.268781 0.305141 -0.071943 0.039660 9C 2dxz 0.082047 0.049420 0.086769 -0.153483 0.010255 0.148868 9C 2dyz 0.200842 -0.133392 -0.396452 0.031738 0.110846 0.219282 9C 2dx2y2 -0.382175 0.268494 -0.132511 0.347981 0.136567 -0.051863 9C 2dxy -0.520402 0.361127 -0.161650 0.344518 0.085221 0.060072 9C 1f0 0.017896 -0.091720 0.079172 -0.066649 -0.004774 -0.000455 9C 1f+1 0.023557 -0.130635 0.049652 -0.000332 -0.060124 -0.013737 9C 1f-1 0.019003 0.010012 0.176026 -0.077297 -0.042911 -0.087416 9C 1f+2 0.004658 -0.078936 -0.038790 -0.017373 -0.049194 0.093662 9C 1f-2 0.055068 -0.077343 0.016093 -0.015070 0.030995 -0.035548 9C 1f+3 -0.010208 0.034685 0.009015 -0.000823 0.046055 -0.040163 9C 1f-3 -0.013228 0.060031 0.028123 -0.015603 0.033208 -0.037264 10H 1s 0.002895 -0.023592 -0.017129 -0.036878 -0.021449 -0.051965 10H 2s -0.476110 0.170369 0.648565 -0.396188 -0.206085 -0.112357 10H 3s -0.011503 0.136055 -0.033317 -0.065007 0.051195 0.092648 10H 1pz -0.099580 -0.002376 0.117704 -0.079589 -0.040474 -0.084157 10H 1px 0.133587 -0.011752 -0.262983 0.104734 0.019506 -0.018750 10H 1py -0.103508 0.040966 0.060713 -0.059516 -0.074082 -0.020765 11H 1s 0.049940 0.003578 -0.046956 0.050127 0.042917 -0.027830 11H 2s 0.181417 -0.094806 0.169425 0.207200 -0.033475 -0.108335 11H 3s 0.179332 -0.098801 -0.214134 0.103255 0.094957 -0.031800 11H 1pz 0.070976 0.016369 0.065626 0.060250 -0.023829 0.002446 11H 1px -0.025906 -0.005454 0.104880 0.003872 -0.030791 -0.031377 11H 1py 0.107330 0.017121 -0.160914 0.100625 0.010416 0.078254 12H 1s -0.039767 0.007531 -0.014878 0.012308 -0.026161 0.054359 12H 2s -0.417138 0.117580 0.361243 -0.243104 0.257756 0.020864 12H 3s 0.013488 0.088367 -0.113545 -0.057987 -0.157120 0.021315 12H 1pz -0.005665 0.023092 -0.126896 0.025985 0.077128 0.124487 12H 1px -0.016677 -0.017827 0.012017 0.043996 0.070978 -0.020274 12H 1py -0.165448 0.009980 0.188359 -0.116019 0.090586 0.010632 13H 1s -0.007648 0.013144 0.030210 0.030290 -0.081075 -0.000320 13H 2s -0.127392 -0.473273 -0.678811 -0.252852 -0.374068 -0.019754 13H 3s -0.041284 -0.038738 0.088868 -0.111954 0.038687 0.019082 13H 1pz -0.055036 -0.157945 -0.226472 -0.113176 -0.086772 -0.011911 13H 1px -0.038954 0.071865 0.253237 0.084842 0.026236 0.113446 13H 1py 0.012378 0.050609 0.049727 -0.050326 0.132618 -0.028295 14H 1s -0.019492 -0.036938 0.029837 -0.035649 0.052499 0.065918 14H 2s -0.140196 -0.469731 -0.632181 -0.497222 -0.047922 -0.437824 14H 3s -0.164495 0.051703 0.111119 -0.060773 0.020563 0.148094 14H 1pz -0.009910 -0.136413 -0.190720 -0.159170 -0.053051 -0.112691 14H 1px 0.039789 -0.121853 -0.240505 -0.094601 -0.006056 -0.177530 14H 1py -0.015039 0.023832 -0.119392 0.043714 -0.116455 -0.016339 15H 1s 0.002960 0.038573 0.048976 0.074012 0.016214 0.016832 15H 2s 0.318113 0.190754 -0.417223 0.068873 0.170612 -0.392767 15H 3s 0.125914 0.174621 0.260433 0.125239 0.050168 0.033240 15H 1pz -0.001424 0.104449 0.263278 0.076629 0.077857 0.128700 15H 1px -0.008555 0.036355 -0.010617 -0.010332 0.052490 0.000309 15H 1py -0.092005 -0.058485 0.166908 0.022661 -0.079129 0.140224 16H 1s 0.009949 -0.006962 0.004021 -0.014695 -0.004821 -0.064359 16H 2s -0.215188 -0.063848 0.165412 -0.214692 -0.102593 0.591864 16H 3s 0.018557 -0.009236 0.000486 0.004062 -0.060239 -0.068061 16H 1pz -0.081956 -0.028555 0.067150 -0.095600 -0.044646 0.183894 16H 1px -0.009526 0.004871 0.007416 -0.009291 0.001334 0.010896 16H 1py -0.001847 -0.006768 0.011476 -0.011220 -0.003885 0.036624 17H 1s -0.002250 -0.010618 -0.013861 -0.015232 0.019862 -0.051981 17H 2s -0.255426 0.076918 0.176537 -0.197169 -0.260768 0.443185 17H 3s 0.006387 -0.010398 -0.022281 -0.021817 0.094266 0.004587 17H 1pz 0.072279 -0.005801 -0.050620 0.066156 0.080557 -0.106936 17H 1px 0.064233 -0.023053 -0.032252 0.062748 0.027511 -0.083045 17H 1py -0.029028 0.016655 0.013971 -0.029712 -0.031484 0.026587 18H 1s 0.000197 0.011630 -0.011909 -0.015307 0.018008 -0.059345 18H 2s 0.281614 -0.053303 0.153847 -0.211935 -0.230061 0.463986 18H 3s -0.005916 0.011299 -0.022110 -0.017866 0.095704 0.000256 18H 1pz 0.080815 0.000785 0.047150 -0.071667 -0.074968 0.114000 18H 1px 0.070028 -0.015700 0.026167 -0.065987 -0.018110 0.083980 18H 1py -0.029510 0.012561 -0.009361 0.029585 0.025563 -0.028585 19H 1s -0.011488 0.006133 0.005429 -0.014700 -0.006955 -0.060603 19H 2s 0.248807 0.085964 0.163603 -0.234670 -0.074835 0.574250 19H 3s -0.016646 0.009060 0.001913 0.004961 -0.058241 -0.072588 19H 1pz -0.094194 -0.036787 -0.066762 0.103683 0.034480 -0.171921 19H 1px -0.008978 0.005334 -0.006142 0.007708 0.000948 -0.018218 19H 1py -0.007092 -0.008294 -0.013907 0.015325 0.002769 -0.038192 20H 1s -0.007859 -0.042104 0.044105 0.073682 0.016659 -0.053925 20H 2s -0.300811 -0.145887 -0.428987 0.066589 0.170349 0.078722 20H 3s -0.119360 -0.193902 0.244199 0.121929 0.049953 -0.154270 20H 1pz -0.001287 0.125235 -0.248940 -0.076024 -0.080887 0.043597 20H 1px -0.009954 0.036870 0.016151 0.009430 -0.053624 -0.034561 20H 1py -0.084215 -0.037815 -0.170491 -0.023084 0.078988 0.069012 21H 1s 0.018818 0.033635 0.033615 -0.034361 0.052727 0.040700 21H 2s 0.137255 0.521902 -0.578082 -0.487168 -0.053121 -0.046394 21H 3s 0.166615 -0.078262 0.101021 -0.058821 0.025740 0.058104 21H 1pz -0.011040 -0.157560 0.175528 0.157845 0.055794 -0.006038 21H 1px 0.041042 -0.143538 0.221955 0.092440 0.008328 0.022847 21H 1py -0.017094 0.014976 0.121652 -0.042307 0.117211 -0.050530 22H 1s 0.009654 -0.020396 0.029067 0.028736 -0.080800 -0.032744 22H 2s 0.126435 0.547606 -0.629657 -0.257449 -0.378896 0.226533 22H 3s 0.044615 0.043267 0.083910 -0.110204 0.040817 -0.047742 22H 1pz -0.056658 -0.177207 0.207637 0.113350 0.087292 -0.102368 22H 1px -0.038985 0.103217 -0.243207 -0.085873 -0.029727 0.037678 22H 1py 0.011398 0.054742 -0.045723 0.046781 -0.132406 -0.008808 23H 1s 0.033862 -0.009020 -0.020890 0.014556 -0.025999 0.067000 23H 2s 0.449963 -0.239797 0.301129 -0.213565 0.270248 -0.345259 23H 3s -0.022614 -0.076645 -0.133026 -0.058925 -0.154379 0.155045 23H 1pz 0.009787 0.014146 0.134208 -0.029807 -0.078415 -0.129316 23H 1px -0.015011 -0.004989 -0.009190 -0.048305 -0.072042 0.070206 23H 1py -0.187438 0.060980 -0.172193 0.104768 -0.096534 0.168778 24H 1s -0.057590 0.008083 -0.042325 0.047905 0.042530 0.021471 24H 2s -0.138341 0.027873 0.197796 0.211903 -0.033820 -0.290303 24H 3s -0.191084 0.142073 -0.188030 0.096166 0.096518 0.076038 24H 1pz 0.056233 0.040649 -0.070852 -0.061719 0.024406 0.048389 24H 1px -0.040284 0.026215 -0.102346 -0.007524 0.029562 0.095408 24H 1py 0.125405 -0.008019 0.156844 -0.099635 -0.009658 -0.174745 25H 1s -0.000982 0.034705 -0.012475 -0.039958 -0.023402 -0.036205 25H 2s 0.541326 -0.259861 0.612717 -0.391805 -0.195925 -0.279146 25H 3s 0.008155 -0.130433 -0.045343 -0.064907 0.052147 0.121304 25H 1pz -0.114495 0.006759 -0.118697 0.081819 0.038057 0.097239 25H 1px 0.161690 -0.060640 0.253767 -0.100249 -0.016985 -0.104329 25H 1py -0.105332 0.049098 -0.046124 0.057411 0.072950 0.017455 26O 1s -0.008073 0.003636 -0.015097 0.021907 0.026627 0.022424 26O 2s -0.028280 0.013641 -0.052533 0.076874 0.092502 0.077541 26O 3s 0.216532 -0.110851 0.472063 -0.629556 -0.676230 -0.489380 26O 4s -0.506052 0.294514 -1.333779 1.500008 1.154515 0.271290 26O 5s 0.591155 -1.071165 -0.328378 -0.377985 -1.662912 -2.864346 26O 1pz -0.068294 0.089879 0.157304 -0.072633 -0.061545 0.025790 26O 1px 0.106735 -0.100129 -0.171616 0.021698 -0.196281 -0.323599 26O 1py -0.098646 0.025135 0.037478 -0.101735 -0.023900 -0.083031 26O 2pz 0.083419 -0.142902 -0.280726 0.067327 0.140057 -0.019490 26O 2px -0.183988 0.201400 0.730894 -0.371965 0.449732 1.131408 26O 2py 0.215478 -0.050221 0.098731 0.096128 -0.008072 0.389390 26O 3pz 0.132966 0.143408 0.077076 -0.038065 -0.200818 -0.531292 26O 3px 0.244942 0.209464 -0.083082 0.106370 0.012299 -0.148457 26O 3py -0.031409 0.222114 0.100347 0.008494 -0.301265 -0.230335 26O 1dz2 0.000736 0.006962 0.007176 -0.002191 -0.003954 0.005903 26O 1dxz 0.001092 -0.003681 0.003991 0.000920 0.003168 -0.006757 26O 1dyz 0.000424 -0.004213 0.004786 -0.002673 0.002246 -0.003566 26O 1dx2y2 0.000515 -0.005916 -0.009072 0.000443 -0.002625 -0.004908 26O 1dxy -0.002604 -0.001051 -0.001446 -0.000198 -0.009237 -0.004590 26O 2dz2 -0.013144 0.052347 0.076079 -0.015684 0.026488 0.066683 26O 2dxz -0.056140 0.081405 0.121671 0.003456 -0.048682 0.029911 26O 2dyz -0.030564 -0.007650 0.091015 -0.008841 -0.004306 0.042717 26O 2dx2y2 0.085889 -0.057476 -0.082418 0.036498 -0.148739 -0.104797 26O 2dxy -0.040707 -0.007463 0.006109 -0.061072 0.049572 -0.047696 26O 1f0 0.012322 -0.018426 -0.003368 0.004649 0.012637 0.001683 26O 1f+1 -0.004607 0.007832 -0.002017 0.002946 -0.000374 -0.010856 26O 1f-1 -0.007548 0.015098 -0.004661 -0.000961 0.001615 0.002323 26O 1f+2 -0.006170 0.015927 -0.004586 -0.001825 -0.002371 -0.013447 26O 1f-2 -0.018317 0.014884 0.009137 -0.011741 -0.001606 0.005993 26O 1f+3 -0.002578 -0.005033 -0.011226 0.015077 0.004377 -0.001013 26O 1f-3 -0.004404 0.001486 -0.020140 0.014430 0.003019 -0.012496 27O 1s -0.004751 -0.006873 0.007755 -0.002020 0.045440 -0.018039 27O 2s -0.017981 -0.024021 0.026834 -0.006372 0.157851 -0.062440 27O 3s 0.129058 0.179884 -0.256444 -0.029831 -1.171861 0.454195 27O 4s -0.185169 -0.417581 0.781891 0.552337 2.103278 -0.767731 27O 5s 0.777052 0.869351 0.193816 1.243588 -2.588516 0.727779 27O 1pz -0.038115 -0.175004 -0.095288 -0.168694 0.000282 -0.007730 27O 1px 0.100665 0.080717 0.159838 0.160608 -0.278955 0.127005 27O 1py -0.018282 0.084841 0.122967 0.019073 0.094953 -0.057691 27O 2pz 0.081854 0.345251 0.219845 0.371213 0.015554 0.096617 27O 2px -0.267182 -0.150720 -0.559461 -0.743490 0.548123 -0.250974 27O 2py 0.096913 -0.114123 -0.198452 0.068557 -0.132734 0.106937 27O 3pz 0.007137 -0.164152 -0.094539 -0.087790 -0.196946 0.280667 27O 3px -0.193812 0.001564 0.032385 0.060388 -0.164149 0.271149 27O 3py -0.142758 -0.084357 0.222407 -0.196891 0.453236 -0.065126 27O 1dz2 -0.002104 0.000343 0.000072 -0.003397 -0.000177 -0.005850 27O 1dxz -0.007109 -0.002451 -0.008239 -0.003512 0.003061 0.002129 27O 1dyz -0.003942 0.000208 0.002063 0.001139 0.004207 -0.001473 27O 1dx2y2 0.007512 0.001879 0.011142 0.005947 -0.002793 -0.000294 27O 1dxy -0.005335 0.000949 0.005199 -0.002224 0.005094 0.004172 27O 2dz2 -0.007100 -0.012736 0.011668 -0.016531 0.055108 -0.000236 27O 2dxz -0.059787 -0.115876 -0.070877 -0.080117 0.000016 -0.057155 27O 2dyz -0.041267 0.009362 0.040901 0.022215 0.005421 0.024581 27O 2dx2y2 0.072776 0.059205 0.114236 0.076700 -0.097267 0.000699 27O 2dxy 0.052891 0.061866 0.097690 0.014359 -0.008305 -0.071734 27O 1f0 -0.006250 0.008388 -0.013824 -0.003307 -0.002427 -0.012326 27O 1f+1 0.004135 -0.003405 0.011469 0.014052 0.010387 -0.000611 27O 1f-1 -0.004480 -0.003958 -0.005267 -0.004707 -0.006844 -0.004935 27O 1f+2 0.007891 -0.000394 0.005687 0.009572 -0.005592 0.010792 27O 1f-2 -0.009832 0.008671 0.005141 0.009233 -0.002816 0.001660 27O 1f+3 -0.016262 -0.014085 -0.001031 0.003540 0.002608 0.002752 27O 1f-3 -0.025904 -0.017332 -0.006387 -0.007748 -0.011270 0.021733 28O 1s -0.000521 -0.000067 -0.005092 0.001686 -0.013425 -0.037598 28O 2s -0.002254 0.001292 -0.016078 0.005960 -0.046485 -0.128856 28O 3s -0.010301 0.012054 0.116553 -0.061620 0.312191 0.903170 28O 4s 0.214546 -0.241116 -0.075510 0.126023 -0.337117 -1.257622 28O 5s 0.143038 -0.602352 -0.031298 0.320199 1.204087 2.427164 28O 1pz 0.025282 -0.094265 -0.011871 -0.018194 0.094296 0.123121 28O 1px -0.109387 0.074388 0.083243 -0.017984 -0.109210 -0.328316 28O 1py -0.026675 0.012868 0.018260 -0.043916 -0.082601 -0.071505 28O 2pz -0.163277 0.315260 0.030820 -0.050825 -0.338389 -0.337794 28O 2px 0.301874 -0.275905 -0.107760 0.084934 0.347613 0.872876 28O 2py 0.029001 -0.005814 -0.024884 0.029353 0.182997 0.135823 28O 3pz 0.362583 -0.117697 0.269055 -0.017571 0.075873 0.523583 28O 3px 0.092111 -0.324177 0.032798 0.079669 -0.040276 -0.003162 28O 3py 0.039792 -0.052544 0.120765 -0.253163 0.159375 0.192257 28O 1dz2 -0.006257 0.000858 0.007551 -0.002606 0.001603 -0.003373 28O 1dxz -0.000241 0.008374 0.003599 -0.001393 0.002243 -0.005606 28O 1dyz -0.000276 -0.003616 0.001151 0.001557 0.003424 -0.004145 28O 1dx2y2 0.007717 -0.008036 -0.009252 0.000391 0.008381 0.003215 28O 1dxy 0.004123 -0.002978 -0.004983 0.003578 -0.005646 0.004223 28O 2dz2 -0.057587 0.042578 0.039591 -0.012687 0.051760 -0.100501 28O 2dxz 0.001231 0.024985 0.054328 -0.039719 -0.072778 -0.088092 28O 2dyz 0.001697 -0.006144 0.012169 0.053304 -0.064502 -0.094833 28O 2dx2y2 0.038049 -0.035389 -0.050023 0.020750 0.017065 0.130912 28O 2dxy 0.020122 -0.074369 -0.047803 -0.019696 0.089206 0.011791 28O 1f0 0.001408 0.001634 0.010420 -0.000350 -0.005988 0.005041 28O 1f+1 0.009209 -0.012493 -0.010490 0.015085 -0.010186 -0.016240 28O 1f-1 0.003817 -0.002474 0.001373 -0.007253 -0.006265 -0.007334 28O 1f+2 -0.002034 0.005283 -0.002173 0.002997 -0.005719 0.002265 28O 1f-2 0.004932 -0.006369 -0.012281 0.009386 0.013643 0.000066 28O 1f+3 -0.000444 0.002214 -0.001318 0.002559 -0.009771 -0.006793 28O 1f-3 -0.003374 -0.008528 -0.003961 -0.000005 0.012352 -0.015351 29O 1s -0.009683 0.000916 0.007050 -0.011942 -0.009034 0.018798 29O 2s -0.032444 0.003303 0.023518 -0.039619 -0.030105 0.063079 29O 3s 0.203634 -0.025090 -0.145897 0.247468 0.189747 -0.398440 29O 4s -0.333306 0.040888 0.221075 -0.368211 -0.261063 0.590898 29O 5s 0.750221 -0.027920 -0.468709 0.656568 0.400502 -1.234120 29O 1pz 0.018056 0.005233 -0.019287 0.034705 0.020631 -0.040847 29O 1px -0.039395 0.000386 0.044036 -0.083919 -0.087300 0.093752 29O 1py 0.034110 -0.001867 -0.010396 0.030131 0.004400 0.001077 29O 2pz -0.047802 -0.040333 0.059251 -0.087477 -0.039124 0.158227 29O 2px 0.138814 -0.013350 -0.121146 0.214301 0.206542 -0.267846 29O 2py -0.126681 0.005568 0.064517 -0.132128 -0.055826 0.111669 29O 3pz 0.049179 -0.083615 -0.018723 0.010668 0.139127 0.049677 29O 3px -0.143390 -0.013794 0.095741 -0.178976 -0.045220 0.208373 29O 3py -0.159884 0.009562 0.128565 -0.046553 -0.153821 0.436682 29O 1dz2 -0.000696 -0.002562 0.000879 -0.001974 0.002069 0.001849 29O 1dxz -0.001527 0.002797 0.000516 -0.000269 -0.003883 -0.001762 29O 1dyz -0.000724 -0.000755 0.001283 0.001660 -0.001559 0.003195 29O 1dx2y2 0.001457 -0.000005 -0.001100 0.002501 -0.000936 -0.002346 29O 1dxy 0.003267 -0.000278 -0.001657 -0.000947 0.001491 -0.005224 29O 2dz2 0.010805 0.000533 -0.017338 0.025294 0.020806 -0.040819 29O 2dxz 0.018947 0.004059 -0.005227 0.023936 -0.002063 -0.029914 29O 2dyz -0.002963 0.028270 -0.010510 0.024122 -0.011117 -0.027655 29O 2dx2y2 -0.002796 -0.002047 0.005755 -0.001238 -0.014328 0.019620 29O 2dxy -0.033420 0.001790 0.021784 -0.062609 -0.032377 0.029407 29O 1f0 -0.005045 0.001517 0.002928 -0.003220 -0.004010 0.013279 29O 1f+1 0.001783 -0.001100 -0.001905 0.001047 0.004891 -0.005456 29O 1f-1 -0.003520 0.000903 0.001930 0.001086 -0.002979 0.014786 29O 1f+2 0.000982 0.001496 -0.000774 0.003186 -0.003008 -0.004784 29O 1f-2 -0.002992 0.000680 0.004172 -0.000385 -0.001955 0.010897 29O 1f+3 -0.002303 -0.000789 0.000940 -0.000844 0.001206 0.003901 29O 1f-3 -0.000737 -0.000626 -0.001030 0.001474 -0.000863 -0.003502 30O 1s -0.002173 -0.004318 0.008564 0.025707 -0.026732 0.014658 30O 2s -0.007852 -0.016171 0.028860 0.088113 -0.091891 0.052167 30O 3s 0.027108 0.100929 -0.207196 -0.625169 0.619823 -0.353210 30O 4s 0.127833 -0.018450 0.243011 0.905397 -0.785598 0.326365 30O 5s 1.186689 0.379368 -0.674723 -1.441382 2.526418 -2.031712 30O 1pz -0.020279 0.055284 -0.005793 -0.051547 0.058525 -0.023739 30O 1px -0.186275 -0.120708 -0.072806 0.148412 -0.287931 0.175580 30O 1py 0.010990 -0.038291 0.000704 0.058762 -0.032318 0.092214 30O 2pz -0.041303 -0.169697 0.056653 0.125080 -0.297117 0.163760 30O 2px 0.490057 0.303416 0.053842 -0.400317 0.776371 -0.561016 30O 2py 0.100703 0.177058 -0.060431 -0.127998 0.238386 -0.399576 30O 3pz -0.331034 0.106461 -0.216917 -0.156012 -0.051733 -0.318585 30O 3px 0.233560 0.125209 -0.181863 -0.125262 0.076450 -0.239078 30O 3py 0.163600 -0.441718 0.150595 0.087497 -0.144621 0.166078 30O 1dz2 -0.002900 -0.004762 -0.003889 0.003820 -0.003599 0.000728 30O 1dxz -0.006311 -0.004091 -0.006448 0.003088 0.000474 0.009619 30O 1dyz -0.003705 -0.001726 0.005800 -0.001107 -0.001890 0.008365 30O 1dx2y2 0.006618 0.009239 0.011906 0.001853 0.005944 0.003438 30O 1dxy 0.004504 -0.000152 0.000994 -0.000532 0.004461 -0.000103 30O 2dz2 -0.074961 -0.018004 -0.004389 0.063585 -0.039484 0.105468 30O 2dxz -0.008277 -0.021747 -0.037773 0.055695 -0.109129 -0.024489 30O 2dyz -0.000904 0.003502 0.047873 -0.051633 -0.003545 0.022945 30O 2dx2y2 0.124426 0.091076 0.101053 -0.032026 0.105599 -0.030646 30O 2dxy 0.055767 -0.023238 0.007580 -0.064488 0.089237 -0.084347 30O 1f0 0.009125 0.000109 -0.001281 0.005058 0.004920 -0.007123 30O 1f+1 0.005221 -0.006787 0.003292 0.001563 -0.004686 -0.012044 30O 1f-1 0.007646 0.000188 0.006515 0.002356 0.011875 0.002507 30O 1f+2 0.005898 0.003766 0.002668 0.006154 0.011070 0.000802 30O 1f-2 -0.005954 -0.006547 -0.004837 -0.003581 -0.007906 0.011984 30O 1f+3 0.009250 0.013652 0.004263 0.018256 -0.000290 -0.012562 30O 1f-3 0.003748 -0.003446 0.015069 0.004144 0.000573 0.000901 31O 1s 0.000899 0.002358 0.009250 0.025537 -0.026790 0.005531 31O 2s 0.003364 0.009771 0.031313 0.087610 -0.092090 0.020958 31O 3s 0.005594 -0.057872 -0.224917 -0.622915 0.622193 -0.161689 31O 4s -0.183856 -0.027240 0.267278 0.910676 -0.799461 0.340328 31O 5s -1.129447 -0.265423 -0.657316 -1.460392 2.503323 -0.816997 31O 1pz -0.026021 0.061414 0.011576 0.051400 -0.059157 0.012900 31O 1px -0.173591 -0.117102 0.065470 -0.150712 0.283653 -0.078894 31O 1py 0.017743 -0.043381 -0.004426 -0.057548 0.031051 -0.085397 31O 2pz -0.031441 -0.174667 -0.069122 -0.124057 0.296269 -0.019518 31O 2px 0.464516 0.280545 -0.040069 0.402197 -0.762748 0.192313 31O 2py 0.089026 0.179750 0.070916 0.124496 -0.232493 0.238160 31O 3pz -0.347427 0.110736 0.247630 0.150637 0.049410 0.358289 31O 3px 0.235824 0.108997 0.171828 0.125115 -0.068134 -0.006377 31O 3py 0.201893 -0.440986 -0.215131 -0.085317 0.141504 -0.267257 31O 1dz2 0.002419 0.005531 -0.003603 0.003781 -0.003488 0.001375 31O 1dxz 0.006040 0.004771 -0.006375 0.003174 0.000708 0.008739 31O 1dyz 0.003459 0.002083 0.005595 -0.000837 -0.001871 0.005235 31O 1dx2y2 -0.005990 -0.010358 0.011207 0.001830 0.005887 0.001302 31O 1dxy -0.004359 -0.000030 0.001342 -0.000785 0.004321 0.003925 31O 2dz2 0.071588 0.016468 -0.006714 0.063072 -0.036507 0.072236 31O 2dxz 0.005412 0.023703 -0.036295 0.056343 -0.109960 -0.049338 31O 2dyz 0.002637 -0.000948 0.045577 -0.050678 -0.005149 0.040527 31O 2dx2y2 -0.115714 -0.094436 0.095952 -0.034919 0.104304 0.007731 31O 2dxy -0.055734 0.029619 0.012146 -0.063875 0.088224 -0.042150 31O 1f0 0.009471 -0.000229 0.000958 -0.004792 -0.004810 0.008231 31O 1f+1 0.005773 -0.006911 -0.004375 -0.001484 0.004896 0.011501 31O 1f-1 0.007824 -0.000312 -0.006698 -0.002386 -0.011786 -0.006073 31O 1f+2 0.005788 0.004274 -0.002585 -0.005746 -0.011157 -0.007298 31O 1f-2 -0.006571 -0.007259 0.004676 0.003678 0.007752 -0.002772 31O 1f+3 0.009414 0.015716 -0.003675 -0.017817 0.000099 -0.001103 31O 1f-3 0.004310 -0.002781 -0.015263 -0.003880 -0.000585 0.010129 32O 1s 0.011048 -0.000031 0.006608 -0.012719 -0.008169 0.017752 32O 2s 0.036911 -0.000384 0.022017 -0.042207 -0.027255 0.059477 32O 3s -0.229839 0.007790 -0.136242 0.263509 0.173187 -0.372912 32O 4s 0.360669 -0.015840 0.205405 -0.393088 -0.237556 0.547877 32O 5s -0.790141 -0.034149 -0.435071 0.711010 0.331776 -1.191107 32O 1pz 0.021524 0.006180 0.018886 -0.034775 -0.020036 0.045370 32O 1px -0.051804 -0.004084 -0.043652 0.088403 0.086669 -0.091097 32O 1py 0.033286 0.000700 0.009358 -0.032650 -0.002672 -0.012086 32O 2pz -0.056497 -0.043321 -0.060428 0.089536 0.034142 -0.148673 32O 2px 0.167563 0.001945 0.116365 -0.227696 -0.197781 0.267584 32O 2py -0.133729 -0.007837 -0.059947 0.142655 0.043241 -0.091352 32O 3pz 0.043347 -0.081802 0.006725 -0.013782 -0.139292 -0.051780 32O 3px -0.146963 -0.025378 -0.094365 0.192831 0.037265 -0.190177 32O 3py -0.177728 -0.001312 -0.117482 0.051818 0.138321 -0.466842 32O 1dz2 0.000871 0.002673 0.001203 -0.002173 0.002063 0.001843 32O 1dxz 0.001345 -0.002602 0.000068 -0.000378 -0.003725 -0.002232 32O 1dyz 0.000781 0.000608 0.001246 0.001616 -0.001501 0.002597 32O 1dx2y2 -0.001606 -0.000164 -0.001084 0.002718 -0.001249 -0.002322 32O 1dxy -0.003475 0.000135 -0.001404 -0.001018 0.001278 -0.005296 32O 2dz2 -0.014944 -0.001508 -0.016015 0.027203 0.017253 -0.033990 32O 2dxz -0.023626 -0.006511 -0.005435 0.025725 -0.004352 -0.032674 32O 2dyz -0.000465 -0.029194 -0.015171 0.027303 -0.011135 -0.024457 32O 2dx2y2 0.004326 0.003122 0.005609 -0.000867 -0.013511 0.017432 32O 2dxy 0.037244 0.003564 0.020761 -0.065851 -0.028332 0.029763 32O 1f0 -0.005458 0.001015 -0.002340 0.003527 0.003051 -0.011984 32O 1f+1 0.002249 -0.000931 0.001789 -0.001377 -0.004559 0.005387 32O 1f-1 -0.004404 0.000645 -0.001773 -0.000775 0.002675 -0.015036 32O 1f+2 0.001496 0.001585 0.001096 -0.003249 0.003127 0.004955 32O 1f-2 -0.003368 0.000711 -0.003699 0.000304 0.001500 -0.012213 32O 1f+3 -0.002615 -0.000813 -0.001013 0.000984 -0.001398 -0.004513 32O 1f-3 -0.000689 -0.000577 0.000933 -0.001512 0.001068 0.004470 33O 1s -0.001278 0.002135 -0.004800 0.001649 -0.014091 -0.029306 33O 2s -0.003997 0.005575 -0.015267 0.005949 -0.048784 -0.100472 33O 3s 0.055444 -0.058650 0.107188 -0.063770 0.329858 0.714636 33O 4s -0.274756 0.293730 -0.025401 0.139370 -0.377343 -1.168153 33O 5s -0.039736 0.435595 0.041127 0.340870 1.243530 1.741401 33O 1pz 0.015690 -0.101422 0.000798 0.022348 -0.093583 -0.086238 33O 1px -0.100369 0.074709 -0.067923 0.017115 0.109066 0.262735 33O 1py -0.027777 0.003993 -0.015186 0.046502 0.083130 0.030048 33O 2pz -0.139463 0.314127 0.010602 0.046778 0.334537 0.177959 33O 2px 0.273090 -0.255026 0.059002 -0.089907 -0.344374 -0.624346 33O 2py 0.028334 0.010430 0.021769 -0.033877 -0.184040 -0.044242 33O 3pz 0.292324 -0.132538 -0.304200 0.048921 -0.059916 -0.429763 33O 3px 0.088859 -0.298485 -0.073378 -0.085506 0.036475 0.059551 33O 3py -0.003312 -0.048875 -0.120635 0.263803 -0.155590 -0.119954 33O 1dz2 0.006685 -0.002134 0.007148 -0.002523 0.001640 -0.005643 33O 1dxz -0.000110 -0.008958 0.002543 -0.001239 0.002320 -0.003600 33O 1dyz 0.000877 0.003341 0.001496 0.001489 0.003529 -0.004222 33O 1dx2y2 -0.007940 0.009173 -0.008007 0.000256 0.008273 0.001918 33O 1dxy -0.004174 0.003215 -0.004719 0.003555 -0.005727 0.006608 33O 2dz2 0.056074 -0.052823 0.028951 -0.009954 0.052532 -0.105715 33O 2dxz 0.000271 -0.022852 0.051997 -0.042706 -0.075772 -0.066179 33O 2dyz -0.000996 0.003947 0.011839 0.052766 -0.064615 -0.040514 33O 2dx2y2 -0.038017 0.034125 -0.044719 0.020994 0.018674 0.117499 33O 2dxy -0.016738 0.079671 -0.038325 -0.021198 0.089914 -0.025183 33O 1f0 0.000353 0.003009 -0.010051 0.000007 0.006135 -0.003527 33O 1f+1 0.010009 -0.012903 0.008705 -0.014868 0.010368 0.014237 33O 1f-1 0.003205 -0.002801 -0.001510 0.007282 0.006391 0.008198 33O 1f+2 -0.001763 0.004220 0.002501 -0.002603 0.005564 -0.006699 33O 1f-2 0.006955 -0.008226 0.011229 -0.009594 -0.013792 0.004287 33O 1f+3 0.000156 0.002163 0.001991 -0.002443 0.009676 0.005004 33O 1f-3 -0.002912 -0.009494 0.003033 0.000080 -0.012795 0.020466 34O 1s 0.003062 0.006217 0.008192 -0.001948 0.046081 -0.018346 34O 2s 0.012129 0.021661 0.028279 -0.006119 0.160139 -0.063772 34O 3s -0.085250 -0.151282 -0.267920 -0.030191 -1.190723 0.484045 34O 4s 0.093260 0.305390 0.816890 0.543825 2.148328 -0.893760 34O 5s -0.706417 -0.995949 0.187498 1.206569 -2.615942 0.597119 34O 1pz -0.035036 -0.192966 0.079942 0.164927 0.003419 -0.011103 34O 1px 0.090613 0.106949 -0.158498 -0.156390 0.279639 -0.074853 34O 1py -0.019152 0.105039 -0.114597 -0.018392 -0.097329 0.101129 34O 2pz 0.073556 0.384928 -0.189548 -0.363379 -0.024475 -0.034318 34O 2px -0.257921 -0.254921 0.565498 0.727105 -0.541695 0.064034 34O 2py 0.099421 -0.146161 0.184422 -0.067946 0.136425 -0.232590 34O 3pz -0.008398 -0.180316 0.079890 0.087781 0.196233 -0.348050 34O 3px -0.204242 -0.010619 -0.001489 -0.080437 0.157218 -0.227573 34O 3py -0.131909 -0.049966 -0.236762 0.196718 -0.455785 0.073126 34O 1dz2 0.002281 -0.000124 -0.000361 -0.003275 -0.000065 -0.004976 34O 1dxz 0.006781 0.003076 -0.008112 -0.003216 0.003065 0.006512 34O 1dyz 0.003634 -0.000948 0.001880 0.001248 0.004281 -0.001394 34O 1dx2y2 -0.007211 -0.003287 0.011446 0.005648 -0.002806 -0.002351 34O 1dxy 0.005701 -0.001591 0.004612 -0.002294 0.005261 0.002735 34O 2dz2 0.006755 0.013834 0.010595 -0.015615 0.056263 0.012205 34O 2dxz 0.050485 0.131756 -0.062184 -0.077006 -0.001670 -0.091713 34O 2dyz 0.040331 -0.017798 0.037980 0.022942 0.006957 0.030493 34O 2dx2y2 -0.066263 -0.078464 0.113329 0.073556 -0.098488 -0.033553 34O 2dxy -0.049389 -0.076834 0.093316 0.013345 -0.009706 -0.088751 34O 1f0 -0.006163 0.008337 0.014393 0.003147 0.002786 -0.002767 34O 1f+1 0.004929 -0.001239 -0.012157 -0.013750 -0.010556 0.006810 34O 1f-1 -0.004562 -0.004407 0.005058 0.004560 0.006887 0.004673 34O 1f+2 0.007496 -0.000332 -0.005924 -0.009632 0.005282 0.002923 34O 1f-2 -0.009408 0.010461 -0.004031 -0.009283 0.002227 0.005831 34O 1f+3 -0.015349 -0.012901 0.000099 -0.003522 -0.003097 0.002254 34O 1f-3 -0.025450 -0.017452 0.005735 0.007487 0.010717 -0.004379 35O 1s 0.004908 -0.002956 -0.015963 0.022514 0.026994 0.025383 35O 2s 0.017268 -0.011249 -0.055676 0.078980 0.093781 0.088116 35O 3s -0.125766 0.083275 0.496339 -0.644901 -0.686473 -0.609719 35O 4s 0.275885 -0.190784 -1.390922 1.528812 1.180134 0.719226 35O 5s -0.521342 1.171415 -0.178572 -0.436589 -1.675308 -2.329835 35O 1pz -0.079913 0.111629 -0.147199 0.068951 0.061496 0.016588 35O 1px 0.113333 -0.130345 0.154811 -0.015585 0.196150 0.234401 35O 1py -0.100976 0.037063 -0.028033 0.098408 0.022464 0.123505 35O 2pz 0.102801 -0.184013 0.268368 -0.060458 -0.141131 -0.068899 35O 2px -0.245049 0.302551 -0.696922 0.358769 -0.445641 -0.741439 35O 2py 0.199080 -0.057927 -0.119217 -0.088896 0.013560 -0.398485 35O 3pz 0.107473 0.194380 -0.068065 0.038450 0.193073 0.575944 35O 3px 0.256135 0.227799 0.100254 -0.116905 -0.006213 0.271441 35O 3py -0.040095 0.279320 -0.061319 -0.020411 0.297046 0.321516 35O 1dz2 -0.000329 -0.008121 0.006312 -0.002031 -0.003995 0.003212 35O 1dxz -0.001225 0.003148 0.004375 0.001166 0.002992 -0.008309 35O 1dyz 0.000184 0.003509 0.005346 -0.002631 0.002247 -0.003681 35O 1dx2y2 -0.000897 0.007482 -0.008081 0.000176 -0.002423 -0.001878 35O 1dxy 0.002279 0.000944 -0.001614 -0.000215 -0.009259 -0.002214 35O 2dz2 0.015324 -0.066320 0.068945 -0.013689 0.026509 0.040964 35O 2dxz 0.057117 -0.094609 0.111071 0.005846 -0.050464 0.042672 35O 2dyz 0.038444 -0.005982 0.091620 -0.008300 -0.004778 0.035688 35O 2dx2y2 -0.085219 0.072219 -0.071102 0.031948 -0.150350 -0.042239 35O 2dxy 0.042703 0.009151 0.005482 -0.061152 0.050500 -0.045753 35O 1f0 0.011844 -0.019154 0.000236 -0.004454 -0.012237 0.007931 35O 1f+1 -0.003950 0.008063 0.003086 -0.003107 0.000317 0.005146 35O 1f-1 -0.006342 0.014878 0.006576 0.000931 -0.001779 -0.006734 35O 1f+2 -0.005072 0.015753 0.007432 0.001652 0.001928 -0.002170 35O 1f-2 -0.018848 0.016425 -0.006674 0.011558 0.001276 -0.005094 35O 1f+3 -0.001312 -0.007341 0.010200 -0.015211 -0.004810 -0.005410 35O 1f-3 -0.001716 0.000030 0.020652 -0.014509 -0.003180 0.004487 510 511 512 513 514 515 3.19923 3.21213 3.22145 3.24592 3.25221 3.25550 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s 0.000544 -0.000282 0.000167 0.000098 -0.000256 0.000111 0Rh 2s -0.003433 0.004960 -0.001399 -0.001420 0.001803 0.002490 0Rh 3s 0.001150 0.001332 0.000143 -0.000277 -0.000433 0.002186 0Rh 4s 0.018350 -0.026321 0.007479 0.007640 -0.009914 -0.012043 0Rh 5s -0.033528 0.063524 -0.015570 -0.019391 0.022804 0.023256 0Rh 6s 0.005571 -0.082156 0.011911 0.031895 -0.032621 0.015506 0Rh 7s 0.139394 0.081714 -0.008840 -0.196907 0.278248 -0.794018 0Rh 8s -0.018527 -0.132784 0.004874 0.024030 -0.002110 0.134851 0Rh 1pz -0.003267 -0.000349 0.000242 -0.003103 -0.000263 -0.010237 0Rh 1px 0.001444 0.000427 0.000167 -0.001394 0.002131 -0.002032 0Rh 1py -0.000710 -0.001399 -0.000917 -0.004212 -0.011039 0.001290 0Rh 2pz 0.012340 0.001652 -0.001061 0.012061 0.000938 0.038793 0Rh 2px -0.005418 -0.001491 -0.000638 0.005159 -0.007757 0.006933 0Rh 2py 0.002567 0.005139 0.003076 0.015945 0.041714 -0.004948 0Rh 3pz -0.022631 -0.009130 0.004925 -0.029150 -0.000433 -0.071955 0Rh 3px 0.008724 0.000143 0.001311 -0.006989 0.007453 0.003803 0Rh 3py -0.003736 -0.006097 0.002594 -0.028955 -0.075061 0.010691 0Rh 4pz 0.001150 0.021077 -0.012279 0.031456 -0.005984 -0.000969 0Rh 4px 0.007409 0.011884 -0.000522 -0.011878 0.032084 -0.076869 0Rh 4py 0.003882 -0.015415 -0.034992 -0.005180 -0.010057 -0.008071 0Rh 5pz 0.020968 -0.024245 0.016968 -0.037294 0.017249 0.054819 0Rh 5px -0.033596 -0.040655 -0.000203 0.042162 -0.088378 0.194878 0Rh 5py -0.007986 0.038413 0.063493 0.042529 0.084502 0.014065 0Rh 6pz -0.669206 -0.020085 0.089379 -0.617008 -0.035941 0.466214 0Rh 6px 0.048038 0.593013 -0.015368 -0.437445 0.329738 -0.821543 0Rh 6py -0.927025 -0.172353 0.197479 0.227615 -0.104243 0.150264 0Rh 1dz2 -0.005048 0.015223 0.003680 0.023288 -0.008200 -0.001903 0Rh 1dxz 0.005765 -0.022241 0.006354 0.004294 -0.001417 0.011235 0Rh 1dyz -0.002326 -0.004992 -0.010145 -0.005827 -0.005082 0.001822 0Rh 1dx2y2 -0.011749 -0.017088 -0.005411 0.012755 -0.005918 -0.008659 0Rh 1dxy 0.029190 -0.004576 0.014537 0.007917 0.001806 -0.001345 0Rh 2dz2 -0.000553 0.000319 0.004077 0.003555 -0.002394 -0.002844 0Rh 2dxz 0.000355 -0.002434 0.000368 0.000357 0.000426 -0.000854 0Rh 2dyz 0.000587 -0.001130 0.007433 0.000015 -0.004769 -0.001573 0Rh 2dx2y2 -0.000925 -0.000819 0.000915 0.001816 -0.002450 0.002511 0Rh 2dxy 0.002372 -0.000193 0.005606 0.001786 -0.001826 0.000830 0Rh 3dz2 0.018676 -0.050790 -0.030630 -0.091946 0.037722 0.019043 0Rh 3dxz -0.020270 0.083235 -0.022291 -0.015657 0.002743 -0.032850 0Rh 3dyz 0.004703 0.021433 -0.001148 0.019617 0.038323 0.001327 0Rh 3dx2y2 0.042338 0.059220 0.013364 -0.049837 0.030427 0.017133 0Rh 3dxy -0.105467 0.015735 -0.072922 -0.033615 0.002534 0.000778 0Rh 4dz2 -0.012600 0.030819 0.064270 0.089213 -0.050253 -0.041694 0Rh 4dxz 0.015285 -0.074233 0.016221 0.012783 0.002437 0.009238 0Rh 4dyz 0.010856 -0.027286 0.088009 -0.021280 -0.078552 -0.020898 0Rh 4dx2y2 -0.034110 -0.042634 0.003945 0.047381 -0.044493 0.014899 0Rh 4dxy 0.086794 -0.011751 0.106064 0.033456 -0.025407 0.006384 0Rh 5dz2 -0.080018 0.070119 -0.048191 0.030928 0.057798 0.042206 0Rh 5dxz 0.019656 0.005821 0.011587 0.015219 -0.000295 0.024328 0Rh 5dyz -0.177742 0.061898 -0.128874 0.138186 0.143150 0.071509 0Rh 5dx2y2 -0.024708 -0.045693 -0.036242 0.033423 0.031606 -0.019408 0Rh 5dxy 0.010593 0.002783 -0.073108 0.056702 0.086085 0.015126 0Rh 1f0 -0.001598 0.004031 0.008581 0.013523 0.029643 0.004910 0Rh 1f+1 0.006079 -0.015191 0.008820 -0.002565 0.006763 0.017425 0Rh 1f-1 0.006773 0.008826 0.012247 0.025990 0.047182 0.037405 0Rh 1f+2 -0.020918 -0.005483 -0.011302 -0.005922 0.014814 -0.064679 0Rh 1f-2 0.010902 0.005591 0.016061 0.005213 0.042298 -0.021217 0Rh 1f+3 -0.005770 -0.020378 -0.005674 -0.004222 -0.030324 0.014747 0Rh 1f-3 0.004425 0.001996 0.010476 0.020478 0.040662 -0.009061 1Rh 1s 0.000909 0.000312 -0.000213 0.000096 -0.000254 0.000108 1Rh 2s -0.006334 -0.005091 0.001742 -0.001374 0.001804 0.002550 1Rh 3s 0.001556 -0.001231 -0.000211 -0.000261 -0.000422 0.002201 1Rh 4s 0.033835 0.027019 -0.009313 0.007393 -0.009920 -0.012364 1Rh 5s -0.064886 -0.064467 0.019250 -0.018730 0.022863 0.024028 1Rh 6s 0.025374 0.080619 -0.014207 0.030779 -0.032851 0.014547 1Rh 7s 0.154985 -0.061845 0.008660 -0.195749 0.279045 -0.788440 1Rh 8s -0.095888 0.128012 -0.000691 0.012777 -0.001546 0.124357 1Rh 1pz -0.000140 -0.000051 0.000181 0.003066 0.000280 0.010225 1Rh 1px -0.002177 0.000328 0.000192 0.001333 -0.002122 0.002000 1Rh 1py 0.002672 -0.001300 -0.000762 0.004229 0.011068 -0.001279 1Rh 2pz 0.000468 0.000537 -0.000825 -0.011922 -0.001000 -0.038768 1Rh 2px 0.008275 -0.001127 -0.000741 -0.004935 0.007723 -0.006821 1Rh 2py -0.010515 0.004760 0.002487 -0.016004 -0.041825 0.004913 1Rh 3pz 0.000779 -0.007329 0.004389 0.028904 0.000486 0.072343 1Rh 3px -0.015477 -0.000289 0.001622 0.006677 -0.007429 -0.003850 1Rh 3py 0.027690 -0.005218 0.003675 0.028918 0.075316 -0.010753 1Rh 4pz -0.008788 0.022160 -0.011806 -0.031389 0.006223 -0.001036 1Rh 4px -0.003122 0.010594 -0.000953 0.011399 -0.031937 0.076272 1Rh 4py -0.034710 -0.016353 -0.034878 0.005908 0.009851 0.008658 1Rh 5pz 0.016254 -0.028397 0.016604 0.037145 -0.017592 -0.050534 1Rh 5px 0.039971 -0.036153 -0.000008 -0.040647 0.088228 -0.194922 1Rh 5py 0.047020 0.039769 0.062382 -0.044261 -0.084278 -0.015423 1Rh 6pz 0.143669 0.005408 0.070762 0.607201 0.033277 -0.469535 1Rh 6px -0.371322 0.573178 -0.014881 0.425716 -0.334488 0.868089 1Rh 6py 0.386129 -0.148322 0.184709 -0.226589 0.105184 -0.147336 1Rh 1dz2 -0.000378 -0.014881 -0.004015 0.023200 -0.007935 -0.001865 1Rh 1dxz 0.003384 0.022627 -0.006459 0.003783 -0.001052 0.010477 1Rh 1dyz 0.005607 0.004918 0.010074 -0.006009 -0.005398 0.001523 1Rh 1dx2y2 0.004015 0.016986 0.005341 0.012767 -0.005791 -0.008183 1Rh 1dxy -0.024988 0.004806 -0.014527 0.007556 0.001687 -0.001099 1Rh 2dz2 -0.000138 -0.000272 -0.004150 0.003457 -0.002336 -0.002832 1Rh 2dxz 0.000151 0.002460 -0.000354 0.000317 0.000471 -0.000952 1Rh 2dyz 0.000318 0.001141 -0.007525 -0.000247 -0.004741 -0.001662 1Rh 2dx2y2 0.000475 0.000814 -0.000966 0.001746 -0.002392 0.002526 1Rh 2dxy -0.001603 0.000240 -0.005651 0.001677 -0.001804 0.000835 1Rh 3dz2 0.001913 0.049475 0.032054 -0.091209 0.036594 0.018869 1Rh 3dxz -0.011750 -0.084609 0.022573 -0.013814 0.001348 -0.029927 1Rh 3dyz -0.019493 -0.021228 0.001799 0.021423 0.039233 0.002721 1Rh 3dx2y2 -0.015069 -0.058862 -0.012916 -0.049548 0.029750 0.015500 1Rh 3dxy 0.088458 -0.016687 0.073091 -0.031928 0.002825 -0.000054 1Rh 4dz2 -0.004399 -0.029618 -0.065961 0.087542 -0.049028 -0.041555 1Rh 4dxz 0.009418 0.075320 -0.016304 0.011360 0.003706 0.006411 1Rh 4dyz 0.009352 0.027086 -0.089472 -0.025751 -0.078943 -0.022871 1Rh 4dx2y2 0.011619 0.042305 -0.004638 0.046231 -0.043432 0.016061 1Rh 4dxy -0.070126 0.012671 -0.106668 0.031008 -0.025366 0.006917 1Rh 5dz2 0.049769 -0.069080 0.049938 0.035246 0.059808 0.042462 1Rh 5dxz 0.003727 -0.004933 -0.011642 0.013561 0.000346 0.024150 1Rh 5dyz 0.137780 -0.058900 0.131517 0.151836 0.147061 0.075198 1Rh 5dx2y2 0.027124 0.046229 0.035869 0.038191 0.030383 -0.016868 1Rh 5dxy 0.023421 -0.000796 0.073979 0.061762 0.086756 0.016720 1Rh 1f0 -0.016655 0.003480 0.008405 -0.013762 -0.029937 -0.005057 1Rh 1f+1 0.008270 -0.015477 0.008590 0.003220 -0.006662 -0.017161 1Rh 1f-1 -0.015564 0.007229 0.011799 -0.026331 -0.047700 -0.037322 1Rh 1f+2 -0.002963 -0.003840 -0.012011 0.005476 -0.014454 0.063788 1Rh 1f-2 0.000558 0.005639 0.015521 -0.004718 -0.041925 0.021199 1Rh 1f+3 0.007655 -0.020489 -0.005650 0.004597 0.030043 -0.014712 1Rh 1f-3 0.007591 0.001673 0.009952 -0.020980 -0.040636 0.008669 2C 1s -0.018453 0.024049 -0.012264 0.007319 0.006080 0.004498 2C 2s -0.054079 0.070205 -0.037998 0.019933 0.019050 0.014962 2C 3s -0.225907 0.384772 0.082028 0.358368 -0.281498 -0.390844 2C 4s 2.899636 -4.378346 1.114371 -2.815607 0.795962 1.666700 2C 5s 0.545061 -1.433502 0.578735 -2.174475 1.029376 -1.516311 2C 1pz -0.032741 0.065233 0.099923 0.076604 -0.121021 -0.140640 2C 1px 0.000546 0.041505 -0.100389 0.048641 0.036247 0.076599 2C 1py -0.014180 0.036580 0.013521 0.060200 -0.050792 -0.056818 2C 2pz 1.159259 -1.645428 0.080014 -1.127250 0.793012 1.430312 2C 2px 0.001380 -0.241020 0.779129 -0.194572 -0.471604 -0.565927 2C 2py 0.551806 -1.359458 0.414577 -1.271766 0.314754 0.795225 2C 3pz 0.415306 -0.792291 0.283553 -0.718904 0.321830 -0.194513 2C 3px 0.185491 -0.233712 0.006649 -0.152840 -0.123791 -0.295489 2C 3py 0.299440 -0.404542 0.200087 -0.460915 0.182234 -0.196284 2C 1dz2 -0.065614 0.203966 -0.017303 0.092139 -0.083582 -0.079926 2C 1dxz -0.007168 -0.019998 0.078059 -0.046006 0.001960 -0.037178 2C 1dyz -0.155989 0.169579 -0.096143 0.085184 0.004667 -0.011130 2C 1dx2y2 0.072981 -0.040588 0.021185 -0.043980 0.067526 0.092503 2C 1dxy 0.017848 0.066067 0.069010 0.003039 0.004322 -0.015603 2C 2dz2 0.392838 -0.566799 -0.129184 -0.257699 0.365829 0.617479 2C 2dxz 0.018788 -0.243408 0.366619 -0.323176 -0.186354 -0.166204 2C 2dyz 0.530570 -0.871899 0.298268 -0.559485 0.169531 0.505952 2C 2dx2y2 -0.185135 0.224855 0.047732 0.250648 -0.241495 -0.398362 2C 2dxy 0.108879 -0.151629 0.226509 -0.004365 -0.151850 -0.195533 2C 1f0 0.020236 -0.103530 -0.044958 -0.063893 0.047517 0.069465 2C 1f+1 0.021786 -0.189617 0.055005 -0.206702 -0.009774 0.022186 2C 1f-1 0.158501 -0.269299 0.131539 -0.085628 -0.000200 0.155074 2C 1f+2 -0.158274 0.113936 -0.034302 0.092691 0.031572 0.036082 2C 1f-2 0.038230 -0.026609 0.062879 0.031739 -0.004614 -0.008307 2C 1f+3 0.068132 -0.026565 0.030788 0.000547 -0.006250 0.026575 2C 1f-3 0.073143 -0.049092 0.045555 0.061039 0.092405 0.155829 3C 1s 0.020516 0.018820 0.009097 -0.007788 -0.003439 -0.002069 3C 2s 0.059383 0.055957 0.027745 -0.021672 -0.011957 -0.005004 3C 3s 0.433007 0.149798 -0.004941 -0.408321 0.476788 -0.260002 3C 4s -4.279227 -2.744811 -1.119863 3.251332 -2.154469 1.734332 3C 5s -0.850897 -0.435954 -0.751418 1.969053 -0.556342 -1.321414 3C 1pz 0.031771 -0.016405 -0.043780 -0.022745 0.108478 -0.048692 3C 1px -0.004612 0.031786 0.098302 -0.108536 -0.034141 0.039305 3C 1py -0.104530 0.008458 0.050649 0.077993 -0.162683 0.070094 3C 2pz -1.274110 -0.514441 -0.207332 1.205430 -1.220762 0.774745 3C 2px -0.420740 -0.535969 -0.929925 1.113336 0.207871 -0.124380 3C 2py 1.773412 0.973806 0.190105 -1.334284 1.401684 -1.160902 3C 3pz -0.163402 -0.188872 -0.161262 0.445930 -0.244361 -0.032967 3C 3px -0.283400 -0.148402 -0.057558 0.284428 0.128888 -0.193254 3C 3py 0.643907 0.430288 0.321605 -0.672393 0.299531 0.188096 3C 1dz2 -0.194601 0.072355 0.028700 0.013398 -0.033648 0.006136 3C 1dxz 0.048204 0.047829 -0.045904 0.009748 0.098319 -0.074790 3C 1dyz -0.155954 -0.155774 -0.086712 0.142061 -0.057055 0.038465 3C 1dx2y2 -0.077407 -0.073601 -0.022438 0.049787 -0.107865 0.083719 3C 1dxy -0.072030 -0.019269 0.009215 0.012126 0.022059 -0.031017 3C 2dz2 0.246415 0.113732 0.034493 -0.011806 -0.070067 -0.024088 3C 2dxz -0.258180 -0.191289 -0.052504 0.269644 -0.228780 0.230549 3C 2dyz 0.794548 0.501102 0.098440 -0.481636 0.620022 -0.474416 3C 2dx2y2 0.590592 0.224153 -0.052893 -0.350994 0.665233 -0.509788 3C 2dxy 0.341512 0.339219 0.531501 -0.713298 -0.103678 0.016843 3C 1f0 0.100473 0.114769 0.038189 -0.003977 0.080805 -0.140926 3C 1f+1 0.013080 -0.025247 -0.018625 -0.109662 -0.142868 0.145099 3C 1f-1 -0.017782 0.111618 0.002651 0.002943 -0.025260 -0.015509 3C 1f+2 0.118796 0.115856 0.046924 -0.026590 0.056091 -0.074686 3C 1f-2 0.118707 0.136795 0.023803 -0.150902 -0.070529 0.028810 3C 1f+3 -0.220869 -0.111920 -0.149374 0.187806 -0.122228 0.118660 3C 1f-3 0.196678 0.058639 -0.005984 -0.150568 0.094456 -0.056689 4C 1s 0.003174 -0.001051 0.003031 0.009120 -0.007577 0.001969 4C 2s 0.009044 -0.003402 0.010437 0.027532 -0.022735 0.004035 4C 3s 0.305864 -0.373434 -0.076719 -0.337026 0.299945 0.204878 4C 4s -1.868582 2.207647 -0.247337 1.514521 -0.949353 -1.450538 4C 5s -1.208265 1.204920 -0.776809 0.229535 0.402807 0.836404 4C 1pz -0.113270 0.178160 -0.044707 0.070976 -0.003602 -0.096483 4C 1px 0.023011 -0.005567 0.027706 0.030051 0.004994 0.001768 4C 1py -0.087869 0.080416 -0.018802 0.032341 0.008753 -0.030385 4C 2pz 1.463692 -2.422267 0.162146 -1.545250 0.851112 1.880497 4C 2px -0.156630 -0.225379 1.190995 -0.533051 -0.599748 -0.897146 4C 2py 0.860609 -1.525808 0.505189 -1.116557 0.247026 0.681366 4C 3pz 0.474284 -1.248186 0.414753 -2.241791 1.013891 -1.211785 4C 3px -0.160244 -0.041680 0.402799 -0.189493 0.531320 0.172566 4C 3py 0.277654 -0.909050 0.330232 -1.398416 0.803963 -0.657097 4C 1dz2 0.030512 -0.165764 0.204159 -0.196278 -0.065694 -0.009736 4C 1dxz 0.116272 -0.078706 -0.150666 0.000675 0.184829 0.275915 4C 1dyz 0.106933 -0.103442 0.058160 0.013116 -0.010056 0.045165 4C 1dx2y2 0.005950 0.084656 -0.077047 0.148956 -0.000324 -0.026181 4C 1dxy 0.060812 -0.089386 -0.163158 -0.018629 0.108617 0.175142 4C 2dz2 -0.309826 0.786091 -1.186578 0.924690 0.496597 0.530569 4C 2dxz -0.542235 0.663362 0.859311 0.345024 -0.904580 -1.526709 4C 2dyz -0.614168 1.001665 -0.508271 0.548155 0.064671 -0.306699 4C 2dx2y2 0.203044 -0.504657 0.480713 -0.639359 -0.009421 -0.026550 4C 2dxy -0.505241 0.124140 1.044277 -0.410536 -0.764743 -1.142242 4C 1f0 -0.057072 -0.082828 0.013659 -0.077510 -0.058790 0.006982 4C 1f+1 0.053208 0.011685 -0.054652 0.084424 0.023238 0.020103 4C 1f-1 0.280796 -0.357190 0.151607 -0.112915 0.051717 0.096408 4C 1f+2 -0.077821 0.060646 -0.020090 -0.022839 0.130052 0.134280 4C 1f-2 0.046739 -0.095549 0.053244 -0.044990 -0.012667 -0.006459 4C 1f+3 0.046190 -0.180014 0.032716 -0.131528 0.062275 0.139286 4C 1f-3 0.011349 0.089036 -0.048960 0.239508 0.053522 0.129742 5C 1s -0.001109 -0.003907 -0.001690 -0.007672 0.005933 0.003800 5C 2s -0.002842 -0.011923 -0.005736 -0.023412 0.018544 0.009862 5C 3s -0.447143 -0.240670 0.019388 0.343492 -0.397267 0.088228 5C 4s 2.465930 1.734935 0.322948 -1.700502 1.701349 -1.130788 5C 5s 0.891419 1.281580 0.754130 -0.200391 -0.568570 0.413772 5C 1pz 0.094334 0.081616 0.015094 -0.033947 0.024705 -0.059696 5C 1px 0.026011 0.017753 -0.022204 -0.017188 -0.026448 0.013669 5C 1py -0.168894 -0.089713 -0.054420 0.087439 -0.072544 0.097426 5C 2pz -1.591965 -0.690765 0.025950 0.913230 -1.234631 1.005738 5C 2px -0.276492 -0.659049 -1.180296 1.452504 0.614624 -0.342939 5C 2py 2.380736 1.213347 0.445664 -1.814290 1.808731 -1.476542 5C 3pz -0.726931 -0.223836 -0.262634 1.204557 -0.385204 -0.617346 5C 3px 0.068937 -0.208497 -0.474515 0.569631 -0.535488 -0.249524 5C 3py 0.791571 0.294926 0.464820 -2.056931 0.712104 0.992398 5C 1dz2 0.114523 0.051895 -0.024956 0.008669 0.122424 -0.011901 5C 1dxz -0.084283 -0.011099 0.041407 0.067656 -0.143510 0.082404 5C 1dyz 0.096684 0.098995 0.116806 -0.096533 -0.072897 -0.007609 5C 1dx2y2 0.082515 0.131711 0.196545 -0.277738 0.013033 -0.052362 5C 1dxy 0.142898 0.049117 -0.164976 0.090470 0.223487 -0.182260 5C 2dz2 -0.308197 -0.106595 0.472142 -0.403422 -0.573321 0.340466 5C 2dxz 0.628223 0.148411 -0.422168 -0.057184 0.852870 -0.730178 5C 2dyz -0.614300 -0.724570 -0.778331 0.849765 0.338468 0.023428 5C 2dx2y2 -0.564528 -0.798800 -1.241231 1.733076 0.367688 -0.043964 5C 2dxy -1.162067 -0.239638 0.710659 -0.146313 -1.480122 1.060500 5C 1f0 0.329934 0.174739 0.134041 -0.216052 0.207481 -0.129201 5C 1f+1 0.058618 0.034661 0.036341 -0.244601 -0.067334 0.063839 5C 1f-1 0.003950 0.059219 -0.032110 0.062221 -0.017128 -0.034016 5C 1f+2 0.125501 0.163936 0.077152 -0.061753 -0.041885 -0.016969 5C 1f-2 0.107383 0.123902 0.020512 -0.058562 -0.129795 0.099682 5C 1f+3 -0.092752 -0.093795 0.019396 -0.071649 -0.119603 0.125344 5C 1f-3 0.082165 0.015070 0.010539 0.004267 -0.023433 0.041042 6C 1s 0.001437 0.003736 0.001833 -0.007742 0.005943 0.003771 6C 2s 0.004152 0.011424 0.006187 -0.023616 0.018559 0.009754 6C 3s 0.316045 0.241287 -0.023666 0.349255 -0.398546 0.092942 6C 4s -1.972590 -1.740897 -0.303202 -1.720680 1.704253 -1.132547 6C 5s -0.921475 -1.285755 -0.768186 -0.189793 -0.568332 0.439100 6C 1pz 0.107458 0.082716 0.013598 0.034145 -0.023519 0.057933 6C 1px 0.048766 0.017807 -0.022295 0.015755 0.026216 -0.011967 6C 1py -0.182412 -0.091326 -0.052108 -0.088790 0.071669 -0.095596 6C 2pz -1.729643 -0.706329 0.053892 -0.931369 1.219094 -0.995193 6C 2px -0.113564 -0.660516 -1.176890 -1.431696 -0.584892 0.349721 6C 2py 2.538306 1.238430 0.403364 1.836478 -1.797782 1.457783 6C 3pz -0.813477 -0.240395 -0.249252 -1.215157 0.380670 0.625528 6C 3px -0.037308 -0.222644 -0.460806 -0.565674 0.551849 0.241494 6C 3py 1.094504 0.331469 0.441336 2.066901 -0.707602 -1.012469 6C 1dz2 -0.078847 -0.049899 0.024591 0.005555 0.123784 -0.014917 6C 1dxz 0.160558 0.014108 -0.045226 0.070526 -0.142873 0.082737 6C 1dyz -0.050499 -0.097810 -0.117408 -0.094985 -0.072147 -0.004589 6C 1dx2y2 -0.075273 -0.133568 -0.194694 -0.277450 0.015352 -0.046975 6C 1dxy -0.154277 -0.049693 0.166604 0.089143 0.219232 -0.185258 6C 2dz2 0.354209 0.104145 -0.473179 -0.393362 -0.562998 0.351496 6C 2dxz -0.949440 -0.166476 0.436884 -0.068909 0.827090 -0.721898 6C 2dyz 0.411889 0.722633 0.779750 0.842061 0.328614 0.008120 6C 2dx2y2 0.520719 0.812321 1.231379 1.719870 0.355792 -0.080383 6C 2dxy 1.245855 0.247111 -0.728138 -0.122900 -1.454815 1.062919 6C 1f0 0.302901 0.177648 0.130674 0.221764 -0.207653 0.125219 6C 1f+1 0.108875 0.037773 0.034716 0.242723 0.068173 -0.066194 6C 1f-1 0.054752 0.059654 -0.032974 -0.062822 0.019594 0.033455 6C 1f+2 0.160926 0.164784 0.077556 0.060943 0.041541 0.016563 6C 1f-2 0.050388 0.120298 0.022810 0.056502 0.126555 -0.097688 6C 1f+3 -0.164785 -0.095973 0.020338 0.069317 0.116738 -0.126166 6C 1f-3 0.021085 0.011175 0.012290 -0.002497 0.022181 -0.039127 7C 1s -0.001477 0.001205 -0.003257 0.009039 -0.007536 0.001954 7C 2s -0.003032 0.003918 -0.011136 0.027294 -0.022582 0.004021 7C 3s -0.461734 0.363055 0.087017 -0.346165 0.295121 0.205041 7C 4s 2.290789 -2.166418 0.214955 1.564900 -0.932758 -1.439715 7C 5s 0.869694 -1.211697 0.795723 0.272994 0.401769 0.863335 7C 1pz -0.080050 0.177081 -0.044470 -0.074408 0.002588 0.092566 7C 1px -0.008877 -0.008026 0.027853 -0.027190 -0.004411 0.001068 7C 1py -0.073756 0.080730 -0.019696 -0.033395 -0.009305 0.030309 7C 2pz 1.521614 -2.388826 0.138906 1.580019 -0.827056 -1.846350 7C 2px -0.803851 -0.206956 1.205451 0.513797 0.566370 0.879678 7C 2py 0.643046 -1.509672 0.502776 1.137872 -0.247746 -0.678242 7C 3pz 0.060336 -1.235652 0.401437 2.268416 -1.007762 1.228341 7C 3px -0.463636 -0.046939 0.396814 0.165024 -0.545467 -0.205807 7C 3py -0.018209 -0.905195 0.323712 1.417721 -0.806710 0.661917 7C 1dz2 0.030709 0.158722 -0.203501 -0.199242 -0.062119 -0.011946 7C 1dxz -0.163332 0.080516 0.153577 0.001000 0.179931 0.278171 7C 1dyz -0.122289 0.103734 -0.059308 0.011211 -0.010551 0.043766 7C 1dx2y2 -0.086028 -0.086017 0.078398 0.150129 -0.001975 -0.025982 7C 1dxy -0.114721 0.087972 0.167612 -0.018499 0.106372 0.179807 7C 2dz2 -0.187185 -0.758769 1.194302 0.928305 0.476536 0.545224 7C 2dxz 0.999932 -0.659167 -0.881931 0.355147 -0.874174 -1.516332 7C 2dyz 0.577514 -0.989951 0.510015 0.569000 0.063120 -0.295138 7C 2dx2y2 0.078635 0.503908 -0.489805 -0.644104 -0.008256 -0.045012 7C 2dxy 0.990291 -0.134207 -1.057656 -0.403219 -0.732206 -1.140630 7C 1f0 -0.015982 -0.074758 0.010089 0.077812 0.056303 -0.009071 7C 1f+1 0.041433 0.011611 -0.054138 -0.084225 -0.021968 -0.021514 7C 1f-1 0.196889 -0.359033 0.153231 0.122672 -0.049380 -0.092700 7C 1f+2 -0.074667 0.061147 -0.023776 0.021731 -0.128088 -0.128419 7C 1f-2 0.006163 -0.095022 0.053778 0.044836 0.010856 0.005415 7C 1f+3 0.059297 -0.178705 0.030776 0.136966 -0.062794 -0.140065 7C 1f-3 0.093605 0.081671 -0.049930 -0.235286 -0.051103 -0.127323 8C 1s -0.023557 -0.018986 -0.009109 -0.007914 -0.003522 -0.001823 8C 2s -0.068035 -0.056406 -0.027844 -0.022024 -0.012179 -0.004268 8C 3s -0.395820 -0.152629 0.014534 -0.413748 0.476495 -0.261810 8C 4s 4.321133 2.778735 1.068784 3.284516 -2.143057 1.703669 8C 5s 1.150219 0.470922 0.732721 1.974828 -0.557381 -1.342750 8C 1pz 0.039458 -0.015999 -0.045444 0.023861 -0.107878 0.049566 8C 1px -0.013969 0.032254 0.097748 0.108041 0.031105 -0.039494 8C 1py -0.092475 0.007888 0.053457 -0.080083 0.162164 -0.071945 8C 2pz -1.281323 -0.528512 -0.183796 -1.218842 1.214533 -0.763018 8C 2px -0.199052 -0.533528 -0.923251 -1.103928 -0.187751 0.135108 8C 2py 1.730823 0.987851 0.161332 1.347183 -1.393366 1.150628 8C 3pz -0.295875 -0.200272 -0.154322 -0.445748 0.243672 0.039303 8C 3px -0.323444 -0.150955 -0.059601 -0.285720 -0.133149 0.198930 8C 3py 0.691709 0.439642 0.313362 0.678012 -0.301373 -0.193224 8C 1dz2 0.102274 -0.075527 -0.026853 0.018343 -0.031826 0.009561 8C 1dxz -0.075552 -0.048733 0.047066 0.008795 0.096429 -0.073555 8C 1dyz 0.174136 0.157743 0.085477 0.143580 -0.057615 0.036478 8C 1dx2y2 0.135150 0.077868 0.020313 0.052107 -0.108729 0.084578 8C 1dxy 0.043719 0.015650 -0.009389 0.011411 0.020973 -0.028607 8C 2dz2 -0.141371 -0.110333 -0.039256 -0.015072 -0.072488 -0.025000 8C 2dxz 0.292158 0.198710 0.047954 0.269011 -0.222812 0.222318 8C 2dyz -0.753184 -0.503306 -0.090168 -0.490377 0.618977 -0.472890 8C 2dx2y2 -0.674074 -0.233293 0.067833 -0.356246 0.660183 -0.508044 8C 2dxy -0.267253 -0.338750 -0.526543 -0.710373 -0.092378 0.023756 8C 1f0 0.109516 0.115239 0.037392 0.006578 -0.077177 0.137856 8C 1f+1 -0.027613 -0.027723 -0.016389 0.108712 0.139274 -0.143173 8C 1f-1 -0.004355 0.111144 0.001885 -0.004124 0.025301 0.013772 8C 1f+2 0.118261 0.116260 0.047289 0.026478 -0.057683 0.075790 8C 1f-2 0.141072 0.137223 0.023599 0.147580 0.069071 -0.029187 8C 1f+3 -0.181700 -0.112448 -0.146610 -0.191641 0.122878 -0.114709 8C 1f-3 0.194672 0.059963 -0.008274 0.152770 -0.092829 0.055618 9C 1s 0.010510 -0.024188 0.012639 0.007976 0.006126 0.004780 9C 2s 0.029848 -0.070671 0.039160 0.021862 0.019138 0.015748 9C 3s 0.316951 -0.374835 -0.091768 0.363331 -0.276796 -0.389096 9C 4s -2.562257 4.331824 -1.100207 -2.898063 0.773636 1.623276 9C 5s -0.105110 1.423056 -0.571791 -2.209643 1.027107 -1.537758 9C 1pz -0.095289 0.062376 0.103238 -0.076855 0.117979 0.140215 9C 1px 0.041539 0.040655 -0.100850 -0.049486 -0.033929 -0.076035 9C 1py -0.027979 0.035756 0.016010 -0.061661 0.051246 0.057422 9C 2pz 1.342070 -1.617589 0.062921 1.149237 -0.773828 -1.408469 9C 2px -0.230614 -0.226205 0.782157 0.189725 0.451529 0.564662 9C 2py 0.534459 -1.326569 0.395075 1.286175 -0.317907 -0.788810 9C 3pz 0.204904 -0.786883 0.282271 0.733344 -0.320807 0.197939 9C 3px 0.250137 -0.228373 0.007126 0.163761 0.129041 0.302306 9C 3py 0.142731 -0.408558 0.200428 0.472262 -0.181803 0.204292 9C 1dz2 0.018054 -0.205221 0.019935 0.098876 -0.081766 -0.076899 9C 1dxz 0.063684 0.021843 -0.079796 -0.046576 0.001610 -0.039133 9C 1dyz 0.112464 -0.169439 0.094963 0.088239 0.003622 -0.013612 9C 1dx2y2 -0.022826 0.047341 -0.020346 -0.045566 0.066473 0.092312 9C 1dxy 0.060072 -0.059414 -0.069083 0.001576 0.008271 -0.012841 9C 2dz2 -0.467435 0.559440 0.132542 -0.263386 0.353881 0.607642 9C 2dxz 0.103907 0.231939 -0.364440 -0.324703 -0.176201 -0.169743 9C 2dyz -0.494209 0.860255 -0.287958 -0.573973 0.172198 0.509305 9C 2dx2y2 0.197404 -0.226669 -0.047922 0.251457 -0.234515 -0.389948 9C 2dxy -0.088723 0.147300 -0.239410 -0.007496 -0.156836 -0.206239 9C 1f0 0.021274 -0.099467 -0.044654 0.063823 -0.045210 -0.066668 9C 1f+1 0.010293 -0.182346 0.052799 0.208340 0.007622 -0.023071 9C 1f-1 0.128423 -0.269071 0.130785 0.093329 0.000402 -0.153295 9C 1f+2 -0.127252 0.114565 -0.037542 -0.091748 -0.030261 -0.031498 9C 1f-2 0.019764 -0.027257 0.064819 -0.030109 0.004950 0.012408 9C 1f+3 0.055104 -0.026887 0.032242 0.003146 0.008969 -0.022500 9C 1f-3 0.068912 -0.052337 0.042507 -0.056450 -0.087369 -0.146132 10H 1s 0.003558 -0.008319 -0.028730 -0.002963 0.005480 0.041462 10H 2s -0.329135 0.452234 -0.305852 0.038944 0.279939 0.355514 10H 3s 0.077692 -0.104745 0.073283 -0.017579 -0.007057 0.148663 10H 1pz -0.055308 0.069922 -0.137585 -0.034433 0.098678 0.120541 10H 1px 0.198101 -0.256121 0.035683 -0.063137 -0.016236 0.016683 10H 1py -0.008092 0.049139 -0.050535 0.056346 0.088237 0.128843 11H 1s 0.072215 -0.102700 0.015525 -0.050421 0.031522 0.040869 11H 2s -0.357011 0.737155 -0.126237 0.595626 -0.053616 -0.071350 11H 3s 0.166738 -0.272171 0.055708 -0.095794 -0.071912 0.056648 11H 1pz -0.092525 0.261889 0.018996 0.255639 -0.045750 -0.046362 11H 1px -0.116923 0.240486 -0.081237 0.130403 -0.022617 -0.053799 11H 1py 0.190630 -0.217283 0.137763 -0.084119 -0.068255 -0.099258 12H 1s 0.044017 -0.072381 0.042234 -0.043783 0.015043 -0.001716 12H 2s -0.569248 0.445451 -0.041276 0.035216 -0.086583 0.049648 12H 3s 0.216918 -0.090948 0.055433 0.070037 -0.030736 0.018245 12H 1pz 0.063237 -0.186796 0.170105 -0.100976 -0.070365 -0.060100 12H 1px -0.088951 0.057978 -0.009539 0.049258 0.034883 0.066775 12H 1py -0.280850 0.229311 -0.042272 0.008537 -0.046956 -0.009259 13H 1s -0.052621 0.008424 0.025857 -0.011093 -0.043740 0.034235 13H 2s 0.373690 0.401459 0.287017 -0.103968 -0.295583 0.216287 13H 3s -0.098901 -0.119268 -0.047880 0.036864 -0.090335 0.126249 13H 1pz 0.171938 0.156167 0.060697 -0.085296 -0.100641 0.083666 13H 1px -0.195587 -0.132195 -0.020495 0.002901 -0.076906 0.075376 13H 1py 0.049348 -0.061237 -0.117968 -0.011388 0.117022 -0.054402 14H 1s -0.018851 -0.029539 -0.048098 0.065055 0.006925 0.003581 14H 2s 0.455035 0.376136 -0.125105 0.058392 0.068170 -0.160824 14H 3s -0.089672 -0.143682 0.034654 -0.004689 0.060305 0.110092 14H 1pz 0.144911 0.110191 -0.017700 0.055052 0.097211 -0.094785 14H 1px 0.179888 0.177297 -0.009552 -0.043809 -0.031411 -0.020459 14H 1py 0.101781 0.107258 0.169656 -0.141051 -0.037455 0.019698 15H 1s -0.103674 -0.067050 -0.011747 0.049216 -0.073887 0.031321 15H 2s 0.612236 0.297212 0.235720 -0.547920 0.245322 -0.058731 15H 3s -0.279947 -0.187046 -0.078081 0.067031 -0.024020 0.052295 15H 1pz -0.224407 -0.227883 -0.116805 0.116531 0.018737 0.020295 15H 1px 0.055705 -0.014420 0.027858 -0.007616 0.122161 -0.080430 15H 1py -0.284372 -0.080756 -0.065671 0.264899 -0.120297 0.012915 16H 1s -0.017818 -0.009328 -0.005855 -0.027028 -0.006447 -0.016617 16H 2s 0.168509 0.190621 0.133790 0.115140 -0.025563 -0.164944 16H 3s -0.029719 0.002393 -0.032293 -0.022365 -0.006947 0.040014 16H 1pz 0.043219 0.075337 0.067533 0.028869 -0.017840 -0.071315 16H 1px 0.016967 -0.001654 -0.012092 -0.015281 0.006117 0.008200 16H 1py 0.006005 0.006141 0.030396 0.019649 -0.006787 -0.017340 17H 1s -0.030134 0.014767 0.024001 0.007498 -0.005202 -0.007827 17H 2s 0.175224 0.197355 -0.180513 -0.171031 0.088322 -0.102185 17H 3s -0.004184 -0.034349 0.026503 0.035947 -0.033872 0.048793 17H 1pz -0.042422 -0.067252 0.031456 0.041514 -0.015507 0.039709 17H 1px -0.025333 -0.038975 0.062469 0.041480 -0.025629 0.030716 17H 1py 0.016192 0.031485 -0.046439 -0.029146 0.019805 -0.009821 18H 1s -0.009327 -0.015521 -0.022875 0.006864 -0.004461 -0.008154 18H 2s 0.151253 -0.189379 0.170290 -0.154487 0.083950 -0.106841 18H 3s 0.004027 0.034558 -0.026955 0.036074 -0.032653 0.053831 18H 1pz 0.037752 -0.066369 0.029460 -0.038840 0.015111 -0.042604 18H 1px 0.034201 -0.037260 0.060441 -0.036280 0.024558 -0.031424 18H 1py -0.004060 0.029399 -0.044943 0.025128 -0.018613 0.009142 19H 1s -0.026158 0.007979 0.007025 -0.027602 -0.006460 -0.017917 19H 2s 0.243578 -0.176601 -0.147722 0.121919 -0.027826 -0.170016 19H 3s -0.018544 -0.004067 0.032773 -0.020137 -0.008576 0.042832 19H 1pz -0.082817 0.070473 0.072025 -0.030840 0.018658 0.073030 19H 1px 0.006600 -0.001758 -0.012386 0.016069 -0.006453 -0.008444 19H 1py -0.020038 0.006832 0.031882 -0.020335 0.006824 0.019928 20H 1s 0.091057 0.067404 0.011129 0.050776 -0.074163 0.031953 20H 2s -0.722284 -0.307599 -0.227237 -0.555691 0.243199 -0.052270 20H 3s 0.237360 0.185627 0.077563 0.069878 -0.024204 0.051701 20H 1pz -0.253526 -0.230245 -0.116789 -0.118674 -0.019957 -0.016870 20H 1px 0.046862 -0.011883 0.026968 0.011308 -0.120419 0.078531 20H 1py -0.307965 -0.083910 -0.061550 -0.268723 0.120108 -0.011774 21H 1s 0.055823 0.031056 0.046972 0.065324 0.005485 0.003856 21H 2s -0.632258 -0.384908 0.124621 0.050977 0.057089 -0.158906 21H 3s 0.160746 0.146420 -0.033405 -0.005313 0.063794 0.108798 21H 1pz 0.186330 0.113338 -0.018355 -0.051108 -0.093417 0.094604 21H 1px 0.250438 0.179541 -0.009859 0.045099 0.034162 0.019202 21H 1py 0.086863 0.107755 0.169828 0.142030 0.034611 -0.021447 22H 1s 0.041673 -0.008663 -0.026176 -0.010454 -0.041791 0.033382 22H 2s -0.296718 -0.394615 -0.291026 -0.105547 -0.289251 0.214528 22H 3s 0.089231 0.119577 0.045135 0.038348 -0.091874 0.126723 22H 1pz 0.137618 0.153191 0.062075 0.085847 0.098161 -0.082477 22H 1px -0.224455 -0.133286 -0.019187 -0.005920 0.074795 -0.074670 22H 1py 0.056510 -0.060846 -0.119317 0.012562 -0.115126 0.055374 23H 1s -0.001163 0.073941 -0.041090 -0.046813 0.016540 -0.000670 23H 2s 0.449025 -0.459104 0.055641 0.057526 -0.073757 0.063384 23H 3s -0.155527 0.096669 -0.059109 0.065676 -0.033026 0.015947 23H 1pz -0.027992 -0.186761 0.171092 0.105454 0.067139 0.059603 23H 1px -0.052119 0.056294 -0.012345 -0.050270 -0.034320 -0.064514 23H 1py -0.224807 0.235719 -0.046632 -0.019979 0.040931 0.001612 24H 1s -0.073724 0.101920 -0.016319 -0.052553 0.029720 0.040399 24H 2s 0.202788 -0.731308 0.125294 0.612594 -0.049830 -0.061769 24H 3s -0.145623 0.269070 -0.056378 -0.102475 -0.073527 0.056136 24H 1pz -0.070851 0.256071 0.021925 -0.259207 0.045130 0.046709 24H 1px -0.070404 0.242940 -0.082677 -0.139180 0.019372 0.045860 24H 1py 0.097238 -0.216483 0.141744 0.087711 0.067903 0.099074 25H 1s -0.034224 0.006831 0.028441 -0.002664 0.004522 0.039022 25H 2s 0.189182 -0.452195 0.310439 0.051717 0.274854 0.353825 25H 3s -0.002446 0.105802 -0.073678 -0.016513 -0.004343 0.150897 25H 1pz 0.006363 0.073508 -0.138650 0.030237 -0.096686 -0.122295 25H 1px 0.165037 -0.256269 0.037123 0.069891 0.017934 -0.015963 25H 1py 0.009594 0.043954 -0.053021 -0.055140 -0.085354 -0.123946 26O 1s 0.013243 -0.001928 -0.001953 0.021773 0.017798 0.000980 26O 2s 0.046382 -0.006617 -0.007674 0.077138 0.063795 0.006279 26O 3s -0.379757 0.046094 0.140867 -0.666049 -0.552663 -0.166677 26O 4s 0.826711 0.078800 -1.084368 1.792030 1.632575 1.105194 26O 5s -0.250833 0.359704 -0.856987 0.055208 -1.219501 0.516193 26O 1pz -0.060584 0.064118 -0.079944 -0.045134 0.085971 0.078257 26O 1px 0.018863 0.045686 -0.188941 0.070101 -0.039624 0.074099 26O 1py -0.088108 -0.021074 -0.076970 -0.128081 -0.022047 0.066603 26O 2pz 0.142103 -0.198552 0.174737 -0.016590 -0.166400 -0.136168 26O 2px -0.194582 -0.136886 0.843578 -0.559417 -0.268525 -0.707338 26O 2py 0.141431 0.017178 0.326279 0.105440 -0.063108 -0.336486 26O 3pz -0.262401 0.066218 -0.141545 -0.012168 -0.057296 0.504045 26O 3px -0.217665 -0.230527 0.189329 -0.081583 0.034793 0.206939 26O 3py -0.213414 0.026484 0.019055 -0.164654 -0.020576 0.368382 26O 1dz2 -0.001964 -0.003771 0.008404 -0.002948 0.001109 -0.001582 26O 1dxz -0.004828 0.001872 -0.007969 -0.000526 0.004053 0.003596 26O 1dyz -0.001470 -0.001327 0.004019 -0.009392 -0.003181 0.000669 26O 1dx2y2 0.002860 -0.002559 -0.004376 -0.000165 -0.002537 -0.000081 26O 1dxy 0.001938 0.002679 -0.007719 0.002729 0.002663 0.001066 26O 2dz2 -0.015299 -0.011705 0.080068 -0.013225 0.005004 -0.030750 26O 2dxz 0.027864 0.024310 -0.030136 0.057675 0.104775 0.068142 26O 2dyz 0.004687 -0.027990 0.103908 -0.065791 -0.016716 -0.014067 26O 2dx2y2 0.050466 0.088238 -0.039281 0.151090 -0.023987 0.003070 26O 2dxy -0.007999 -0.089021 0.015058 -0.112896 -0.039100 0.031741 26O 1f0 -0.014922 0.012996 0.010222 0.004300 -0.019751 -0.023770 26O 1f+1 0.004546 0.006696 -0.003305 0.017265 0.008844 0.015688 26O 1f-1 0.007552 0.000188 0.004972 0.009149 0.004013 -0.000879 26O 1f+2 0.020216 -0.012114 -0.020060 -0.000765 0.020187 0.033906 26O 1f-2 0.001283 -0.010923 0.004558 -0.016329 0.010754 0.018130 26O 1f+3 0.010726 -0.025605 -0.013592 -0.019125 0.019587 0.031982 26O 1f-3 0.008584 -0.002366 -0.011460 0.014866 0.012566 0.015526 27O 1s -0.006452 -0.002724 -0.003068 -0.011221 -0.012281 -0.006397 27O 2s -0.022730 -0.008412 -0.009792 -0.040882 -0.045794 -0.020279 27O 3s 0.194079 0.040985 -0.004929 0.433036 0.453996 0.082868 27O 4s -0.423018 0.205640 0.757252 -1.688914 -1.619563 0.210320 27O 5s 0.054462 0.111202 1.008157 -1.142609 0.864131 0.709608 27O 1pz 0.024360 0.026824 -0.045410 0.157941 -0.037769 -0.045428 27O 1px -0.033625 0.022439 0.191523 -0.144130 0.040405 0.028447 27O 1py -0.087752 -0.067734 -0.095551 -0.039924 0.063543 -0.042917 27O 2pz -0.058261 -0.040605 0.149271 -0.385876 0.008707 0.157612 27O 2px 0.182399 -0.137926 -0.827596 0.934621 0.434337 -0.376071 27O 2py 0.237852 0.169354 0.267451 -0.103585 -0.157753 0.115622 27O 3pz 0.202918 0.051145 0.123924 -0.029542 -0.032239 0.160628 27O 3px 0.032633 0.017882 -0.184435 0.120905 -0.139094 0.101254 27O 3py -0.036674 -0.104715 -0.111805 0.092577 0.087354 -0.357095 27O 1dz2 -0.000687 -0.000748 -0.002088 0.001470 -0.003250 -0.003596 27O 1dxz 0.007703 0.002765 -0.000140 -0.000593 -0.001490 -0.000812 27O 1dyz -0.000309 0.005399 0.005222 -0.007724 -0.001485 -0.002116 27O 1dx2y2 -0.003199 -0.000161 0.009610 -0.010215 0.002829 -0.002707 27O 1dxy -0.001001 -0.003216 -0.005519 0.001791 0.004063 0.002276 27O 2dz2 0.018861 0.026822 0.009918 0.013195 -0.010226 -0.042292 27O 2dxz -0.076359 -0.005185 -0.094758 0.193159 -0.057991 -0.052177 27O 2dyz 0.021846 0.035609 0.123694 -0.129355 -0.044889 0.009428 27O 2dx2y2 -0.051415 -0.019583 0.067862 -0.058678 0.022092 0.011200 27O 2dxy -0.051401 -0.007996 -0.015701 0.014691 0.070107 -0.071831 27O 1f0 0.019485 0.005330 -0.003534 -0.011592 0.023212 -0.009648 27O 1f+1 -0.009868 0.002941 0.005630 -0.006432 -0.015834 0.006772 27O 1f-1 -0.001333 -0.001304 -0.001878 0.005761 -0.008068 0.003479 27O 1f+2 -0.017388 -0.002868 0.013398 0.005889 -0.025990 0.014684 27O 1f-2 -0.010410 -0.006718 0.017619 -0.011775 -0.008955 0.005438 27O 1f+3 -0.006504 -0.004641 0.012837 -0.020073 -0.031686 0.025432 27O 1f-3 -0.019937 -0.008438 0.008954 0.022539 -0.027707 0.022300 28O 1s 0.000187 -0.008998 -0.012021 -0.011357 -0.012890 -0.028306 28O 2s 0.000720 -0.031541 -0.042483 -0.040025 -0.044991 -0.099874 28O 3s 0.008978 0.207795 0.290523 0.271987 0.401989 0.856927 28O 4s -0.274396 -0.084256 -0.201942 -0.359017 -1.188707 -2.418423 28O 5s -0.273990 1.208994 1.380104 1.720122 -0.564120 0.502465 28O 1pz -0.016222 0.010341 0.038784 0.026658 0.097916 0.224629 28O 1px -0.010109 -0.030614 -0.350731 -0.101198 0.228331 0.245272 28O 1py 0.034996 0.034543 -0.130538 0.054592 0.171773 0.203207 28O 2pz 0.136215 -0.199605 -0.164132 -0.221978 0.036271 -0.107453 28O 2px -0.085488 0.213830 0.919630 0.286204 -0.778335 -0.991290 28O 2py -0.086149 -0.117280 0.294256 -0.148420 -0.344400 -0.377726 28O 3pz 0.021790 -0.056849 0.013874 -0.080976 -0.064793 0.346321 28O 3px -0.095515 0.191729 0.147483 0.078139 -0.039872 -0.051858 28O 3py -0.061257 0.161971 0.112581 0.114169 -0.068971 0.186244 28O 1dz2 -0.005129 0.006530 -0.007259 0.003151 0.004319 0.006687 28O 1dxz 0.001447 -0.004631 -0.009944 -0.003611 0.005438 0.009213 28O 1dyz -0.001899 0.005344 -0.003463 0.003170 0.004488 0.008681 28O 1dx2y2 -0.000760 -0.006476 0.010872 -0.001042 -0.012832 -0.006493 28O 1dxy 0.005391 -0.001866 0.003844 -0.000382 -0.001901 -0.002907 28O 2dz2 -0.041645 -0.003765 -0.146189 -0.005059 0.083537 0.179331 28O 2dxz 0.000658 -0.006517 -0.090423 -0.035342 0.042839 0.021912 28O 2dyz 0.048640 0.030415 -0.178420 0.020518 0.090869 0.130484 28O 2dx2y2 0.024395 0.012421 0.158092 0.047278 -0.109714 -0.127969 28O 2dxy -0.053516 -0.011422 0.067100 -0.022479 -0.062072 -0.026669 28O 1f0 -0.000540 0.003339 0.004060 -0.002514 -0.002536 -0.003159 28O 1f+1 -0.004485 0.038250 -0.029512 0.041532 -0.001346 -0.017762 28O 1f-1 -0.004504 0.008807 -0.013833 0.000366 0.002284 0.000357 28O 1f+2 0.007508 -0.005451 0.000532 0.000659 0.013774 0.018153 28O 1f-2 -0.006065 -0.000180 -0.002450 -0.001629 -0.004394 -0.010450 28O 1f+3 -0.000552 0.016908 -0.017073 0.019921 0.004797 0.003248 28O 1f-3 -0.013488 0.009879 -0.029127 0.002871 0.003468 0.010456 29O 1s 0.004354 0.009295 -0.000891 -0.000264 0.001081 0.000862 29O 2s 0.014494 0.031139 -0.003176 -0.000759 0.004026 0.002997 29O 3s -0.087595 -0.198522 0.023088 0.002062 -0.032432 -0.030163 29O 4s 0.121686 0.312809 -0.039440 -0.021858 0.089989 -0.043207 29O 5s -0.326146 -0.618256 0.061352 0.142809 -0.220568 0.610576 29O 1pz -0.019432 -0.019643 -0.007125 0.003357 0.011869 -0.012050 29O 1px 0.025158 0.065845 0.005960 -0.002264 -0.008104 0.042944 29O 1py 0.020396 -0.022598 0.001432 0.009080 -0.010091 0.042168 29O 2pz 0.041702 0.057144 0.115862 0.049575 -0.051935 -0.017160 29O 2px -0.080545 -0.177854 0.031326 0.039322 -0.010645 -0.025742 29O 2py -0.003948 0.101681 -0.013028 -0.032567 0.029823 -0.124419 29O 3pz 0.032396 -0.053838 0.037526 0.141058 -0.044293 0.014540 29O 3px 0.037365 0.146744 0.015270 0.003585 0.069462 -0.205392 29O 3py 0.196777 0.104672 -0.028280 -0.042009 0.012628 -0.056972 29O 1dz2 0.000574 0.001414 0.002960 0.002033 -0.000949 -0.004591 29O 1dxz -0.001469 0.000873 -0.000839 -0.003760 0.002030 -0.002487 29O 1dyz 0.000363 -0.000236 0.005304 0.000480 -0.002515 0.000072 29O 1dx2y2 -0.000657 -0.001998 0.001021 -0.000865 -0.002198 0.005924 29O 1dxy -0.001891 -0.000848 0.003557 0.001903 0.000440 0.001698 29O 2dz2 -0.003058 -0.014584 -0.019644 -0.007488 0.008494 0.009228 29O 2dxz -0.012409 -0.023622 0.025999 0.001314 -0.002248 -0.007050 29O 2dyz -0.002896 -0.006445 -0.044410 -0.035981 0.017137 0.019396 29O 2dx2y2 0.003082 0.002425 0.010003 -0.000149 -0.015943 0.023926 29O 2dxy 0.007503 0.042722 -0.009861 -0.021091 0.009221 -0.012036 29O 1f0 0.003896 0.004178 -0.002934 -0.000306 0.001576 0.001011 29O 1f+1 -0.000765 -0.001981 -0.000646 0.000230 -0.000048 0.000002 29O 1f-1 0.004731 0.003292 0.001394 0.003327 0.001119 0.000419 29O 1f+2 -0.000431 -0.000562 -0.001224 -0.002434 0.000786 -0.000675 29O 1f-2 0.006517 -0.001388 -0.003839 -0.002224 -0.000795 -0.000485 29O 1f+3 0.001688 0.001148 0.000363 0.000562 0.000727 -0.003924 29O 1f-3 -0.002973 0.000938 0.001470 -0.000122 -0.001783 0.000896 30O 1s -0.008893 -0.001828 0.010457 -0.004318 0.020777 -0.022581 30O 2s -0.029544 -0.006862 0.037200 -0.014371 0.073641 -0.080282 30O 3s 0.165577 0.068433 -0.256775 0.106720 -0.666892 0.696074 30O 4s 0.164982 -0.108279 0.156843 -0.123135 2.011278 -1.971126 30O 5s 1.159221 -0.170204 -1.142195 -0.414343 0.515899 0.742595 30O 1pz 0.005964 0.011931 -0.018054 -0.012759 -0.088556 0.126015 30O 1px -0.086128 0.138037 0.309903 -0.069235 -0.319836 0.108921 30O 1py 0.025353 -0.078931 0.059366 -0.029637 0.234989 -0.142793 30O 2pz -0.166543 -0.009279 0.087651 0.032639 -0.120734 -0.026817 30O 2px 0.375877 -0.326664 -0.811711 0.218372 1.118657 -0.561658 30O 2py 0.110813 0.169662 -0.167814 -0.030567 -0.163551 0.044216 30O 3pz -0.182881 0.113034 0.018293 0.271319 -0.195573 0.371691 30O 3px 0.296962 -0.022668 -0.148257 -0.114650 0.165615 0.012393 30O 3py 0.230481 -0.177729 0.074401 -0.434283 0.291541 -0.454387 30O 1dz2 0.001421 0.003038 0.004601 -0.001626 -0.004812 0.001268 30O 1dxz 0.002155 0.001835 0.011073 0.000717 -0.003534 0.002614 30O 1dyz -0.001607 -0.003890 -0.000180 -0.001344 0.003172 -0.005175 30O 1dx2y2 -0.002230 -0.009738 -0.009163 0.004662 0.012817 -0.000509 30O 1dxy 0.005858 0.000496 -0.005351 0.002091 0.008114 -0.001097 30O 2dz2 -0.015553 0.019838 0.091179 -0.007908 -0.052756 0.035541 30O 2dxz -0.047058 0.063187 0.055607 0.015259 -0.090527 0.015543 30O 2dyz 0.034760 -0.022665 -0.128123 0.026554 0.093441 -0.081935 30O 2dx2y2 0.047015 -0.090431 -0.163361 0.044949 0.201021 -0.072985 30O 2dxy 0.036258 -0.021858 -0.107923 0.004883 0.054839 -0.038025 30O 1f0 -0.004465 -0.004003 -0.007704 0.009131 0.004178 -0.003611 30O 1f+1 -0.002801 0.011919 0.010898 -0.007307 -0.009033 -0.007172 30O 1f-1 0.006871 -0.003353 -0.005797 -0.002676 0.004638 -0.004356 30O 1f+2 0.010747 0.005520 0.011520 -0.027732 0.001843 0.002312 30O 1f-2 -0.010959 -0.001299 -0.003026 0.009757 -0.025256 0.026081 30O 1f+3 0.017930 0.021622 0.036659 -0.041507 0.011011 -0.010704 30O 1f-3 -0.017313 -0.004016 -0.012283 0.009613 -0.013806 0.003904 31O 1s 0.016371 0.001856 -0.010112 -0.004213 0.021063 -0.022629 31O 2s 0.056581 0.006971 -0.035988 -0.014033 0.074555 -0.080342 31O 3s -0.354921 -0.067383 0.245844 0.106026 -0.670849 0.694120 31O 4s 0.073048 0.095397 -0.125708 -0.132346 1.999626 -1.957943 31O 5s -2.210357 0.139272 1.162655 -0.452443 0.476444 0.740987 31O 1pz 0.020139 0.011506 -0.016757 0.012005 0.086151 -0.124282 31O 1px -0.183573 0.135426 0.314735 0.063636 0.315982 -0.117065 31O 1py -0.036074 -0.079837 0.054986 0.033905 -0.237347 0.144956 31O 2pz -0.239281 -0.013413 0.090516 -0.035699 0.120262 0.027052 31O 2px 0.664993 -0.314559 -0.828683 -0.198982 -1.100287 0.574964 31O 2py 0.336830 0.179322 -0.166014 0.026269 0.175427 -0.054253 31O 3pz 0.061946 0.117457 0.020841 -0.273400 0.190548 -0.359206 31O 3px 0.380911 -0.022332 -0.153490 0.121169 -0.158029 -0.018022 31O 3py 0.068619 -0.180353 0.065979 0.439960 -0.286990 0.442169 31O 1dz2 -0.000526 -0.002962 -0.004608 -0.001474 -0.004858 0.001380 31O 1dxz 0.004286 -0.001699 -0.011184 0.000738 -0.003441 0.002828 31O 1dyz 0.006649 0.004019 0.000177 -0.001253 0.003122 -0.005009 31O 1dx2y2 0.003673 0.009893 0.009304 0.004563 0.012781 -0.000824 31O 1dxy -0.004672 -0.000355 0.005382 0.002006 0.008067 -0.001367 31O 2dz2 0.078008 -0.017544 -0.092504 -0.006869 -0.048740 0.036126 31O 2dxz 0.023339 -0.063531 -0.056826 0.017760 -0.091053 0.016621 31O 2dyz -0.011958 0.023924 0.128551 0.027244 0.092116 -0.084570 31O 2dx2y2 -0.058999 0.091351 0.166261 0.042021 0.200428 -0.078147 31O 2dxy -0.081165 0.020276 0.109318 0.005061 0.049817 -0.037140 31O 1f0 0.001290 -0.003865 -0.007895 -0.009219 -0.003924 0.003537 31O 1f+1 0.005147 0.012367 0.010792 0.006906 0.009270 0.006679 31O 1f-1 0.003762 -0.003385 -0.005903 0.002657 -0.004280 0.004242 31O 1f+2 0.007548 0.005572 0.011377 0.027795 -0.002232 -0.002299 31O 1f-2 -0.016305 -0.001887 -0.002475 -0.010201 0.024742 -0.025518 31O 1f+3 0.021726 0.022052 0.036067 0.041871 -0.011588 0.009970 31O 1f-3 -0.014193 -0.004239 -0.012176 -0.010212 0.013797 -0.003526 32O 1s 0.008665 -0.008857 0.000547 -0.000020 0.001079 0.000511 32O 2s 0.029159 -0.029657 0.002056 0.000017 0.004038 0.001815 32O 3s -0.187164 0.188870 -0.016756 -0.001778 -0.033059 -0.022211 32O 4s 0.284755 -0.296938 0.032216 -0.017777 0.092053 -0.057907 32O 5s -0.541366 0.585379 -0.040177 0.120615 -0.218067 0.639192 32O 1pz 0.010754 -0.018169 -0.007909 -0.003523 -0.011619 0.011611 32O 1px -0.040935 0.064540 0.008078 0.001796 0.007931 -0.039915 32O 1py 0.015954 -0.021824 0.001069 -0.008735 0.009896 -0.044405 32O 2pz -0.065395 0.050077 0.119621 -0.048366 0.051442 0.017528 32O 2px 0.111432 -0.174014 0.024639 -0.034233 0.009890 0.017709 32O 2py -0.077329 0.097671 -0.006450 0.026383 -0.027480 0.130923 32O 3pz 0.000201 -0.055614 0.040294 -0.138930 0.045949 -0.017767 32O 3px -0.104416 0.139164 0.017335 -0.003728 -0.070134 0.216777 32O 3py -0.126370 0.097357 -0.019358 0.034038 -0.010778 0.057889 32O 1dz2 0.000723 -0.001402 -0.003052 0.002015 -0.000953 -0.004717 32O 1dxz 0.000170 -0.000873 0.000910 -0.003633 0.002032 -0.002568 32O 1dyz 0.001725 0.000321 -0.005401 0.000369 -0.002462 0.000049 32O 1dx2y2 -0.000942 0.001888 -0.000991 -0.000911 -0.002176 0.005950 32O 1dxy -0.001910 0.000811 -0.003465 0.001746 0.000478 0.001706 32O 2dz2 -0.022665 0.013340 0.017708 -0.007076 0.007600 0.008970 32O 2dxz -0.009502 0.024102 -0.026319 0.000413 -0.002318 -0.007059 32O 2dyz -0.015152 0.005866 0.046285 -0.035344 0.017547 0.020939 32O 2dx2y2 0.010354 -0.001795 -0.012558 0.001329 -0.016759 0.023838 32O 2dxy 0.014225 -0.041496 0.007276 -0.018344 0.008308 -0.013329 32O 1f0 -0.005070 0.003699 -0.002823 0.000190 -0.001462 -0.001119 32O 1f+1 0.003090 -0.001832 -0.000560 -0.000179 0.000080 -0.000051 32O 1f-1 -0.005807 0.003192 0.001519 -0.003390 -0.001159 -0.000515 32O 1f+2 0.002841 -0.000490 -0.001260 0.002538 -0.000692 0.000652 32O 1f-2 -0.001626 -0.001662 -0.003683 0.002240 0.000883 0.000407 32O 1f+3 -0.001150 0.001021 0.000181 -0.000492 -0.000780 0.003924 32O 1f-3 -0.000260 0.001054 0.001374 0.000164 0.001692 -0.000858 33O 1s -0.023289 0.008322 0.012193 -0.012095 -0.013214 -0.028782 33O 2s -0.079872 0.029253 0.043044 -0.042582 -0.046089 -0.101360 33O 3s 0.548765 -0.191046 -0.292988 0.290296 0.408148 0.864183 33O 4s -0.558552 0.051848 0.197071 -0.387701 -1.184451 -2.416092 33O 5s 1.710778 -1.172337 -1.411892 1.779241 -0.514722 0.541293 33O 1pz -0.086466 0.009041 0.035837 -0.025935 -0.098267 -0.222901 33O 1px 0.197602 -0.028074 -0.358757 0.100956 -0.222024 -0.250375 33O 1py 0.073343 0.033231 -0.132180 -0.055805 -0.166883 -0.202915 33O 2pz 0.308849 -0.197511 -0.162309 0.223813 -0.028150 0.113858 33O 2px -0.612869 0.211442 0.942458 -0.290362 0.755581 0.992284 33O 2py -0.153698 -0.114886 0.296939 0.152065 0.333463 0.378399 33O 3pz -0.311919 -0.054137 0.020212 0.081762 0.067839 -0.323576 33O 3px -0.074706 0.190271 0.147083 -0.085059 0.033198 0.039405 33O 3py -0.162874 0.161729 0.115100 -0.118923 0.066411 -0.180258 33O 1dz2 0.001803 -0.006597 0.007428 0.003352 0.004295 0.006751 33O 1dxz -0.004665 0.004636 0.010016 -0.003567 0.005280 0.009599 33O 1dyz -0.001155 -0.005605 0.003621 0.003508 0.004480 0.008657 33O 1dx2y2 0.002610 0.006337 -0.011083 -0.001240 -0.012674 -0.006906 33O 1dxy -0.001526 0.001942 -0.003915 -0.000400 -0.001881 -0.002834 33O 2dz2 -0.033319 0.002790 0.151135 -0.004242 0.082762 0.183372 33O 2dxz -0.054316 0.004775 0.091097 -0.035291 0.039543 0.018378 33O 2dyz -0.096275 -0.032130 0.179363 0.024544 0.086609 0.131902 33O 2dx2y2 0.063576 -0.010426 -0.162526 0.047555 -0.106936 -0.129229 33O 2dxy 0.048273 0.010284 -0.065989 -0.022846 -0.058617 -0.026611 33O 1f0 -0.003497 0.003391 0.003959 0.002259 0.002311 0.002950 33O 1f+1 0.006919 0.037555 -0.029220 -0.042431 0.001684 0.017202 33O 1f-1 0.000927 0.009029 -0.013884 -0.001008 -0.002119 -0.000565 33O 1f+2 0.004419 -0.005940 0.000444 -0.000068 -0.013408 -0.017307 33O 1f-2 -0.004992 0.000202 -0.002651 0.001402 0.004041 0.009978 33O 1f+3 0.004082 0.016275 -0.017195 -0.020352 -0.004451 -0.003290 33O 1f-3 -0.001145 0.010554 -0.029634 -0.003463 -0.003292 -0.010985 34O 1s -0.006623 0.002287 0.003077 -0.011229 -0.012698 -0.005544 34O 2s -0.022579 0.006867 0.009799 -0.040810 -0.047225 -0.017274 34O 3s 0.139871 -0.028393 0.004947 0.429526 0.463319 0.058002 34O 4s -0.147517 -0.234541 -0.758742 -1.666885 -1.626173 0.276281 34O 5s 0.451598 -0.108362 -0.985637 -1.126103 0.910104 0.675120 34O 1pz 0.024301 0.027143 -0.042785 -0.157462 0.042913 0.044286 34O 1px -0.109251 0.022512 0.189923 0.144359 -0.044850 -0.028666 34O 1py -0.031451 -0.065216 -0.097698 0.037646 -0.064389 0.045523 34O 2pz -0.108324 -0.042239 0.145027 0.384359 -0.021202 -0.156338 34O 2px 0.316960 -0.143403 -0.823873 -0.922566 -0.417248 0.388484 34O 2py 0.114855 0.165669 0.270343 0.106920 0.158518 -0.123840 34O 3pz -0.020242 0.045582 0.127076 0.029555 0.030040 -0.158884 34O 3px -0.142574 0.017622 -0.179083 -0.121986 0.145821 -0.114161 34O 3py 0.015679 -0.104919 -0.112564 -0.090007 -0.086133 0.361627 34O 1dz2 -0.003149 0.000676 0.001997 0.001526 -0.003347 -0.003670 34O 1dxz -0.004667 -0.002732 0.000040 -0.000655 -0.001596 -0.000571 34O 1dyz -0.000669 -0.005603 -0.005165 -0.007658 -0.001490 -0.001845 34O 1dx2y2 0.002368 0.000015 -0.009469 -0.010316 0.002997 -0.002532 34O 1dxy 0.003225 0.003275 0.005563 0.001757 0.004082 0.002042 34O 2dz2 -0.015850 -0.026578 -0.010737 0.012314 -0.010969 -0.041019 34O 2dxz 0.022907 0.004141 0.092230 0.195855 -0.063811 -0.050069 34O 2dyz -0.000424 -0.036420 -0.123321 -0.130308 -0.043101 0.011793 34O 2dx2y2 0.041258 0.017984 -0.066623 -0.058061 0.024413 0.009705 34O 2dxy -0.006280 0.005138 0.017129 0.013710 0.069860 -0.074033 34O 1f0 0.023114 0.005634 -0.004010 0.012146 -0.023219 0.009700 34O 1f+1 -0.007220 0.003115 0.005575 0.005869 0.015689 -0.007236 34O 1f-1 0.002043 -0.001292 -0.001769 -0.005688 0.008245 -0.003548 34O 1f+2 -0.020556 -0.002907 0.013912 -0.006164 0.026076 -0.015142 34O 1f-2 -0.009073 -0.006520 0.017529 0.011795 0.008656 -0.005978 34O 1f+3 -0.007290 -0.004743 0.013021 0.019640 0.031293 -0.025678 34O 1f-3 -0.028937 -0.008937 0.009565 -0.022486 0.027423 -0.022347 35O 1s 0.003051 0.002677 0.002062 0.022023 0.017972 0.001968 35O 2s 0.010050 0.009287 0.008070 0.077912 0.064354 0.009705 35O 3s 0.008158 -0.068479 -0.145143 -0.669063 -0.554201 -0.192462 35O 4s -0.515923 -0.022754 1.104610 1.791070 1.615974 1.160297 35O 5s -1.558865 -0.395995 0.859037 0.020633 -1.256748 0.446195 35O 1pz -0.061995 0.064621 -0.081015 0.039989 -0.085191 -0.080358 35O 1px 0.213597 0.047694 -0.188512 -0.072191 0.044940 -0.071106 35O 1py -0.017631 -0.015017 -0.081445 0.124843 0.019809 -0.072777 35O 2pz 0.119898 -0.197524 0.176222 0.026438 0.164401 0.139864 35O 2px -0.857520 -0.130941 0.850199 0.554106 0.244184 0.701804 35O 2py -0.134263 0.007259 0.339150 -0.102412 0.063945 0.351622 35O 3pz 0.129722 0.078970 -0.146530 0.002293 0.060482 -0.508446 35O 3px -0.067487 -0.221898 0.186970 0.072934 -0.039896 -0.224479 35O 3py -0.022381 0.037606 0.013881 0.152335 0.019494 -0.380604 35O 1dz2 0.005156 0.003808 -0.008413 -0.003135 0.001252 -0.001839 35O 1dxz -0.000640 -0.001986 0.008214 -0.000455 0.003993 0.003856 35O 1dyz -0.001042 0.001164 -0.004015 -0.009438 -0.003153 0.000611 35O 1dx2y2 -0.005085 0.002487 0.004259 -0.000107 -0.002626 -0.000076 35O 1dxy -0.004384 -0.002681 0.007878 0.002874 0.002531 0.001080 35O 2dz2 0.051373 0.011807 -0.080006 -0.012423 0.006428 -0.030867 35O 2dxz -0.005151 -0.020267 0.030021 0.057507 0.102545 0.067852 35O 2dyz 0.023199 0.027265 -0.104646 -0.067801 -0.015760 -0.015934 35O 2dx2y2 -0.103579 -0.084828 0.036210 0.150008 -0.028742 -0.004828 35O 2dxy -0.022505 0.085361 -0.012759 -0.116056 -0.036777 0.034174 35O 1f0 -0.012770 0.013126 0.010300 -0.004029 0.019300 0.023968 35O 1f+1 0.010964 0.005999 -0.003446 -0.016922 -0.008550 -0.015458 35O 1f-1 0.004653 -0.000358 0.005095 -0.008652 -0.003757 0.001452 35O 1f+2 0.024449 -0.012308 -0.020309 0.000480 -0.019573 -0.034338 35O 1f-2 -0.002803 -0.010688 0.004258 0.016406 -0.010852 -0.017955 35O 1f+3 0.008794 -0.025645 -0.014101 0.019558 -0.019450 -0.032760 35O 1f-3 0.014647 -0.002571 -0.011716 -0.014192 -0.012078 -0.015420 516 517 518 519 520 521 3.26825 3.27131 3.27716 3.28171 3.28664 3.29226 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s 0.000233 0.000579 -0.000420 0.000448 0.000121 -0.001100 0Rh 2s -0.003126 -0.007362 0.003595 -0.003133 0.001360 0.004922 0Rh 3s -0.000499 -0.001010 -0.000318 0.000765 0.001541 -0.003556 0Rh 4s 0.017134 0.039856 -0.019242 0.016812 -0.007176 -0.026798 0Rh 5s -0.046192 -0.099715 0.039859 -0.032532 0.024002 0.042188 0Rh 6s 0.090028 0.158129 -0.027978 0.013214 -0.056795 0.022704 0Rh 7s -0.733821 -1.040831 0.251746 0.006095 0.386581 -0.063032 0Rh 8s 0.060304 0.093383 -0.110298 -0.052327 -0.038684 0.221868 0Rh 1pz -0.002568 0.007422 0.000301 0.001892 0.001218 0.000973 0Rh 1px -0.002595 -0.000367 0.000124 0.000965 0.004039 0.001761 0Rh 1py -0.003210 -0.005823 0.001270 -0.000857 -0.003587 -0.002726 0Rh 2pz 0.010002 -0.027823 -0.000730 -0.007537 -0.004529 -0.003490 0Rh 2px 0.009231 0.000338 -0.000293 -0.003797 -0.014803 -0.006481 0Rh 2py 0.011728 0.022127 -0.004715 0.003303 0.013383 0.010623 0Rh 3pz -0.024646 0.044995 -0.007984 0.022343 0.006309 0.001933 0Rh 3px -0.003712 0.022744 -0.002628 0.010012 0.015986 0.008240 0Rh 3py -0.012074 -0.041909 0.006744 -0.007401 -0.020087 -0.026527 0Rh 4pz 0.029190 0.031118 0.044641 -0.040105 0.009416 0.022371 0Rh 4px -0.063602 -0.110065 0.008216 -0.012196 0.055297 0.012818 0Rh 4py -0.044216 0.000951 0.008361 0.005866 -0.021744 0.033461 0Rh 5pz -0.054341 -0.127618 -0.101346 0.077633 -0.015834 -0.058278 0Rh 5px 0.177509 0.268993 0.042758 0.004453 -0.157148 0.005514 0Rh 5py 0.103504 0.047944 -0.018988 -0.005995 0.062196 -0.058274 0Rh 6pz -0.217136 0.786355 0.113976 0.127973 -0.005760 0.128166 0Rh 6px -0.861754 -0.869378 -1.909428 0.526726 0.499964 -1.096240 0Rh 6py 0.117214 -0.325692 -0.000891 -0.182913 -0.451683 -0.249668 0Rh 1dz2 0.018158 -0.012109 -0.003466 -0.002937 0.001391 -0.021058 0Rh 1dxz 0.000820 -0.010726 -0.025282 0.003042 0.008616 -0.019319 0Rh 1dyz -0.016111 0.007656 -0.007160 0.009935 0.002732 -0.001660 0Rh 1dx2y2 0.012666 0.001637 0.027131 -0.012328 -0.003321 0.020838 0Rh 1dxy 0.000384 -0.004332 0.008259 -0.002170 -0.004191 0.007186 0Rh 2dz2 0.002245 -0.002519 0.002276 0.001385 -0.000006 -0.000883 0Rh 2dxz -0.000886 -0.001996 -0.002959 -0.000272 0.000580 -0.000593 0Rh 2dyz -0.001475 0.000660 0.002649 0.006869 0.000569 -0.000741 0Rh 2dx2y2 0.002941 0.001479 0.002420 -0.000235 -0.000449 -0.001579 0Rh 2dxy 0.000856 -0.000501 0.001815 0.002201 -0.000027 -0.000388 0Rh 3dz2 -0.069972 0.051277 0.001008 0.003200 -0.004620 0.073458 0Rh 3dxz 0.001234 0.044162 0.096676 -0.008804 -0.030941 0.066370 0Rh 3dyz 0.059098 -0.027998 0.011103 -0.064464 -0.011571 0.008786 0Rh 3dx2y2 -0.054919 -0.011986 -0.100457 0.041597 0.013044 -0.061531 0Rh 3dxy -0.005376 0.016711 -0.035706 -0.003030 0.013861 -0.021884 0Rh 4dz2 0.069357 -0.060277 0.025979 0.018155 0.004505 -0.055243 0Rh 4dxz -0.009799 -0.046672 -0.092658 0.002669 0.023881 -0.044616 0Rh 4dyz -0.044623 0.021573 0.029078 0.128896 0.013591 -0.015460 0Rh 4dx2y2 0.065520 0.022908 0.090561 -0.025876 -0.014948 0.017469 0Rh 4dxy 0.016520 -0.018497 0.045864 0.031311 -0.006739 0.006359 0Rh 5dz2 -0.044173 0.041926 -0.122514 -0.120528 -0.021867 -0.053353 0Rh 5dxz 0.016066 -0.018906 -0.014334 0.020254 0.030283 -0.118489 0Rh 5dyz -0.093865 0.033221 -0.177780 -0.382974 -0.015446 0.064158 0Rh 5dx2y2 -0.021136 -0.013113 0.044467 -0.086456 0.035763 0.204303 0Rh 5dxy -0.069404 0.041823 -0.054713 -0.160234 -0.041510 0.099246 0Rh 1f0 0.004277 0.015008 -0.016326 -0.008604 0.008933 -0.006945 0Rh 1f+1 0.001161 -0.016274 0.001892 -0.001784 0.006758 0.007373 0Rh 1f-1 0.010269 -0.006723 -0.015044 -0.014268 0.005959 0.007150 0Rh 1f+2 -0.010826 0.035448 0.029418 -0.002471 -0.000298 0.055034 0Rh 1f-2 0.021699 0.011451 0.011759 0.019952 0.004430 0.021947 0Rh 1f+3 -0.005353 -0.030898 0.014838 -0.020553 -0.007641 0.001410 0Rh 1f-3 -0.007022 0.006182 -0.005236 -0.015351 -0.001746 0.034792 1Rh 1s 0.000224 0.000576 0.000357 -0.000422 0.000117 0.001112 1Rh 2s -0.003093 -0.007384 -0.002830 0.002988 0.001449 -0.004967 1Rh 3s -0.000534 -0.001041 0.000406 -0.000701 0.001570 0.003600 1Rh 4s 0.016956 0.039969 0.015167 -0.016061 -0.007645 0.026996 1Rh 5s -0.045954 -0.100099 -0.030643 0.031617 0.025116 -0.041737 1Rh 6s 0.090361 0.158995 0.018292 -0.015969 -0.058097 -0.027850 1Rh 7s -0.726947 -1.057710 -0.228940 0.039876 0.393701 0.126766 1Rh 8s 0.055230 0.109019 0.114075 0.039968 -0.046384 -0.231274 1Rh 1pz 0.002517 -0.007298 0.000917 0.001993 -0.001394 0.001628 1Rh 1px 0.002555 0.000434 0.000135 0.000799 -0.004035 0.001709 1Rh 1py 0.003166 0.005832 0.001073 -0.000552 0.003465 -0.002316 1Rh 2pz -0.009825 0.027371 -0.003068 -0.007889 0.005196 -0.005903 1Rh 2px -0.009086 -0.000589 -0.000377 -0.003204 0.014792 -0.006318 1Rh 2py -0.011566 -0.022146 -0.003936 0.002173 -0.012913 0.009057 1Rh 3pz 0.024609 -0.044556 -0.003567 0.022368 -0.007642 0.004820 1Rh 3px 0.003581 -0.022327 -0.001535 0.009759 -0.016041 0.008769 1Rh 3py 0.011901 0.041608 0.004590 -0.005837 0.019037 -0.023372 1Rh 4pz -0.030592 -0.029284 0.044313 -0.037208 -0.008889 0.029790 1Rh 4px 0.063216 0.109900 0.003901 -0.016289 -0.054804 0.008744 1Rh 4py 0.043699 0.000577 0.011513 0.008232 0.022605 0.032315 1Rh 5pz 0.057665 0.122933 -0.105049 0.070714 0.015545 -0.077397 1Rh 5px -0.178877 -0.265442 0.051797 0.016064 0.154946 0.017633 1Rh 5py -0.102658 -0.050884 -0.022918 -0.012021 -0.063244 -0.058702 1Rh 6pz 0.210555 -0.769899 0.150564 0.145880 -0.005844 0.172110 1Rh 6px 0.933611 0.760277 -1.905807 0.472160 -0.464939 -1.170831 1Rh 6py -0.109653 0.317519 -0.039433 -0.144593 0.431637 -0.185836 1Rh 1dz2 0.017297 -0.011307 0.004988 0.002720 0.001609 0.020915 1Rh 1dxz -0.000256 -0.009011 0.026312 -0.003007 0.007902 0.019267 1Rh 1dyz -0.015906 0.007748 0.006172 -0.009670 0.002873 0.002214 1Rh 1dx2y2 0.013641 0.000244 -0.026891 0.012127 -0.003391 -0.020769 1Rh 1dxy 0.000477 -0.004328 -0.008030 0.002104 -0.003613 -0.008023 1Rh 2dz2 0.002257 -0.002568 -0.002082 -0.001345 0.000129 0.000870 1Rh 2dxz -0.000991 -0.001777 0.003026 0.000322 0.000426 0.000702 1Rh 2dyz -0.001284 0.000443 -0.002783 -0.006679 0.000826 0.000959 1Rh 2dx2y2 0.002981 0.001361 -0.002337 0.000139 -0.000406 0.001471 1Rh 2dxy 0.000873 -0.000557 -0.001713 -0.002150 0.000148 0.000239 1Rh 3dz2 -0.067200 0.048869 -0.006900 -0.002671 -0.005955 -0.072922 1Rh 3dxz 0.005245 0.037532 -0.100354 0.008455 -0.027885 -0.066702 1Rh 3dyz 0.057542 -0.027292 -0.007262 0.062715 -0.013229 -0.011608 1Rh 3dx2y2 -0.058307 -0.006865 0.099288 -0.040497 0.013063 0.061790 1Rh 3dxy -0.005767 0.016967 0.034466 0.003000 0.011139 0.025318 1Rh 4dz2 0.067848 -0.059431 -0.020093 -0.017912 0.006947 0.054633 1Rh 4dxz -0.013317 -0.040226 0.095392 -0.001817 0.020220 0.046263 1Rh 4dyz -0.041402 0.018415 -0.032605 -0.125433 0.018024 0.019775 1Rh 4dx2y2 0.068002 0.018408 -0.088935 0.024104 -0.014238 -0.018744 1Rh 4dxy 0.017014 -0.019433 -0.043616 -0.030392 -0.002789 -0.010009 1Rh 5dz2 -0.048226 0.047801 0.119207 0.117924 -0.028165 0.057064 1Rh 5dxz 0.013029 -0.017920 0.018228 -0.022119 0.033199 0.112426 1Rh 5dyz -0.099311 0.041978 0.175008 0.374571 -0.031496 -0.071515 1Rh 5dx2y2 -0.016600 -0.016533 -0.044450 0.087939 0.031946 -0.204490 1Rh 5dxy -0.068844 0.043350 0.047607 0.153550 -0.049636 -0.099232 1Rh 1f0 -0.003453 -0.015703 -0.015741 -0.008711 -0.007927 -0.006282 1Rh 1f+1 -0.000936 0.015848 0.000302 -0.002411 -0.006155 0.006050 1Rh 1f-1 -0.009391 0.005707 -0.016452 -0.014875 -0.004488 0.004614 1Rh 1f+2 0.008764 -0.032848 0.032474 -0.002251 -0.000756 0.056354 1Rh 1f-2 -0.021811 -0.010309 0.012142 0.018886 -0.004951 0.021118 1Rh 1f+3 0.005265 0.030347 0.012837 -0.020350 0.007900 0.001237 1Rh 1f-3 0.006947 -0.006204 -0.004190 -0.014971 0.002866 0.034527 2C 1s -0.012585 -0.002334 0.004619 -0.000792 0.003741 -0.003191 2C 2s -0.036846 -0.006420 0.013786 -0.002166 0.011381 -0.009812 2C 3s -0.354285 -0.207033 -0.125258 -0.050473 0.086794 -0.007953 2C 4s 3.362052 1.350587 -0.253431 0.451137 -0.856941 -0.000551 2C 5s 1.301019 -0.937243 -0.092681 0.318147 -0.332227 0.424723 2C 1pz -0.058538 -0.031403 -0.070993 -0.006767 0.011493 -0.013147 2C 1px -0.070129 -0.034667 -0.000308 -0.001119 0.038884 -0.028597 2C 1py -0.047076 -0.045844 -0.026338 -0.019057 0.012596 -0.003697 2C 2pz 1.601909 0.434896 -0.106958 0.418166 -0.361660 0.040181 2C 2px 0.554338 0.356994 -0.140839 -0.082534 -0.296449 0.083268 2C 2py 0.896969 1.063903 -0.086523 0.043314 -0.232902 -0.580872 2C 3pz 0.596533 -0.149674 0.040226 0.042594 -0.105552 0.135497 2C 3px 0.125571 0.028985 -0.075203 0.109454 -0.090642 0.026311 2C 3py 0.359900 -0.089165 -0.078742 0.130002 -0.146289 0.099705 2C 1dz2 -0.086884 -0.030369 -0.039947 -0.015040 0.040032 -0.111944 2C 1dxz 0.054647 -0.037106 -0.033935 0.009722 -0.005625 -0.004273 2C 1dyz -0.176025 -0.051067 -0.035756 -0.021683 0.056655 -0.040491 2C 1dx2y2 0.076528 -0.065358 -0.019497 -0.007229 0.021151 -0.033764 2C 1dxy 0.042392 -0.093343 -0.075097 0.058231 0.005904 0.029079 2C 2dz2 0.445550 0.020337 0.055703 0.135810 -0.086811 0.179012 2C 2dxz 0.273209 0.246749 -0.255347 0.028449 -0.125882 -0.142166 2C 2dyz 0.707901 0.555558 0.063075 0.089549 -0.231785 -0.070009 2C 2dx2y2 -0.210357 -0.004747 0.112162 -0.045860 -0.050999 0.225750 2C 2dxy 0.301349 0.048826 -0.013063 -0.032249 -0.114182 0.078626 2C 1f0 -0.016249 0.052912 0.025362 0.004448 -0.008947 0.021506 2C 1f+1 0.010891 0.221858 0.022154 -0.162687 -0.014522 -0.194820 2C 1f-1 0.241798 0.140452 -0.017338 0.069570 -0.070770 0.021867 2C 1f+2 -0.064963 -0.027188 -0.008620 0.152315 0.038481 0.040634 2C 1f-2 0.124116 -0.077089 -0.091464 0.175687 -0.023249 0.117248 2C 1f+3 0.069210 0.005563 -0.010245 -0.033551 -0.043193 0.043532 2C 1f-3 0.239661 -0.168511 -0.114306 0.399121 -0.009910 0.179701 3C 1s 0.004523 -0.010335 0.002885 -0.001152 0.004316 -0.000708 3C 2s 0.013705 -0.029946 0.009243 -0.002996 0.013100 -0.000684 3C 3s -0.029093 -0.312746 -0.053321 -0.083109 0.019059 -0.296771 3C 4s -0.387110 2.856352 -0.299492 0.733794 -0.606000 1.238719 3C 5s -2.018774 0.103296 -0.844476 0.309163 -0.307405 0.232219 3C 1pz -0.013106 -0.012418 -0.023031 -0.000185 -0.008079 -0.059888 3C 1px -0.020679 -0.056715 0.051692 -0.017732 0.062908 -0.017899 3C 1py 0.001637 0.052606 0.038792 0.011762 0.018109 0.103557 3C 2pz 0.232759 0.750258 -0.003142 0.379403 -0.070920 0.477896 3C 2px 0.409608 0.854204 -0.400630 0.353574 -0.670423 -0.038517 3C 2py 0.236705 -1.263397 0.119979 -0.276237 0.099797 -0.612539 3C 3pz -0.322129 0.087460 -0.148746 0.155474 0.010680 0.048178 3C 3px -0.205712 0.193323 -0.267692 -0.072751 -0.228083 0.061533 3C 3py 0.527017 -0.264522 0.115968 -0.138163 0.064104 -0.199251 3C 1dz2 0.126851 0.012505 0.094961 -0.036891 0.028662 0.045853 3C 1dxz 0.049052 -0.017105 -0.052251 -0.040372 -0.049274 -0.017007 3C 1dyz -0.064614 0.132815 -0.050209 0.032534 -0.053231 0.081427 3C 1dx2y2 -0.052976 0.015039 0.016039 -0.013187 0.009610 0.076416 3C 1dxy 0.064997 0.082676 -0.005930 -0.006115 -0.022157 0.019052 3C 2dz2 0.051362 -0.172054 -0.024763 0.060913 0.019666 -0.037737 3C 2dxz -0.092615 0.205807 -0.031057 0.175447 0.021849 -0.008372 3C 2dyz -0.017674 -0.561077 -0.019855 -0.087346 0.087640 -0.412606 3C 2dx2y2 0.083099 -0.255118 -0.055721 -0.080796 -0.121694 -0.211757 3C 2dxy -0.223554 -0.551507 0.307069 -0.193531 0.381159 0.034434 3C 1f0 0.044832 -0.071210 0.090664 0.107329 0.125326 -0.092293 3C 1f+1 -0.208417 -0.160401 -0.304863 -0.334064 -0.391190 0.257843 3C 1f-1 0.054146 -0.094181 -0.043885 -0.061820 -0.058902 0.033530 3C 1f+2 0.023503 -0.072228 0.044734 0.065358 0.128522 -0.092493 3C 1f-2 0.001294 -0.195566 -0.128030 -0.222776 -0.250569 0.145003 3C 1f+3 0.055271 0.125959 -0.136530 -0.010385 -0.213413 0.093964 3C 1f-3 -0.073780 -0.152219 -0.105635 -0.139730 -0.147679 0.020595 4C 1s -0.002225 0.003649 -0.002780 -0.000844 0.000155 -0.000489 4C 2s -0.006811 0.009962 -0.008267 -0.002547 0.000042 -0.000849 4C 3s 0.288503 0.133212 0.241623 0.027009 -0.094327 0.120453 4C 4s -1.745229 -0.855092 -0.520377 -0.290339 0.427722 -0.213176 4C 5s -0.258131 0.088523 0.507548 -0.327098 0.139406 -0.048020 4C 1pz -0.096067 -0.062864 0.063585 -0.047458 0.004655 0.043965 4C 1px 0.077330 -0.024189 -0.053099 0.075047 -0.023480 0.032747 4C 1py -0.034923 0.006792 0.015536 0.020963 0.006311 -0.004858 4C 2pz 1.953419 0.885335 -0.231638 0.610877 -0.396157 -0.202121 4C 2px 0.266604 0.503692 -0.063773 -0.580922 -0.192604 -0.246525 4C 2py 1.188791 0.649850 -0.105690 -0.056030 -0.363279 -0.096117 4C 3pz 1.438279 -0.877636 -0.130634 0.228921 -0.312007 0.295884 4C 3px -0.029190 -0.229801 0.481721 -0.329960 0.026722 0.235715 4C 3py 0.931166 -0.638592 0.169298 0.032949 -0.166429 0.305169 4C 1dz2 0.148132 0.248207 -0.054655 -0.031241 -0.020051 -0.207986 4C 1dxz 0.015811 -0.039986 0.108828 0.031969 0.013573 0.039964 4C 1dyz 0.146461 -0.022958 -0.053331 0.058362 -0.078736 0.105246 4C 1dx2y2 -0.161517 0.011855 0.076113 -0.011998 0.016793 -0.009177 4C 1dxy -0.162231 0.096334 0.160516 -0.078165 0.086860 -0.052650 4C 2dz2 -0.901903 -0.639485 0.622657 0.120133 0.293249 0.536491 4C 2dxz -0.169173 0.065226 -0.146872 -0.341556 -0.166077 0.242839 4C 2dyz -0.879404 -0.410349 0.317151 -0.155264 0.271774 0.107528 4C 2dx2y2 0.828014 -0.192124 -0.657293 0.308131 -0.145598 -0.044581 4C 2dxy 0.256290 0.327379 -0.479466 -0.306197 -0.176943 -0.465856 4C 1f0 -0.102968 0.255355 0.077449 -0.114307 0.016877 -0.186048 4C 1f+1 -0.123863 0.033543 0.066339 -0.061043 -0.013885 0.092422 4C 1f-1 0.281876 0.018494 -0.018496 0.134511 -0.093881 0.154185 4C 1f+2 0.020774 -0.081211 -0.088388 0.187065 0.029196 -0.008022 4C 1f-2 0.072843 0.023978 0.000561 -0.006022 0.015073 -0.032240 4C 1f+3 0.031788 0.138976 0.053410 -0.106432 0.015015 -0.186978 4C 1f-3 0.049652 -0.124080 0.007691 0.180019 0.018373 0.123062 5C 1s 0.005700 0.001137 0.000601 -0.002151 -0.001264 -0.003162 5C 2s 0.015939 0.002869 0.000748 -0.005905 -0.003798 -0.010149 5C 3s -0.023302 0.229433 0.149284 -0.006849 -0.024847 0.375639 5C 4s -0.007594 -1.482248 -0.420757 -0.120574 0.206141 -1.471132 5C 5s 0.296306 -0.198548 0.173348 0.001773 0.459217 -0.172705 5C 1pz 0.023473 -0.034257 0.042045 0.005439 0.026773 -0.006225 5C 1px -0.017321 -0.057674 -0.141512 -0.093598 -0.171960 0.054599 5C 1py 0.028559 0.063530 -0.034832 0.005915 -0.055463 0.037446 5C 2pz -0.136255 0.835874 -0.184508 0.121712 -0.126391 0.534425 5C 2px 0.410017 1.174974 0.244063 1.069015 0.343649 -0.606905 5C 2py 0.056497 -1.528854 0.397738 -0.346448 0.498070 -0.870782 5C 3pz -1.202189 0.227896 -0.488802 0.050733 -0.298371 0.210565 5C 3px -0.707143 -0.092913 0.404112 0.393212 0.795869 -0.059306 5C 3py 1.980743 -0.280345 0.842094 -0.380958 0.128489 -0.019044 5C 1dz2 -0.176137 0.009513 -0.133749 -0.017145 -0.011123 -0.118758 5C 1dxz -0.024712 0.058247 0.061831 0.057539 0.114331 0.007637 5C 1dyz -0.029016 -0.117975 0.071961 -0.014190 0.092578 0.042278 5C 1dx2y2 -0.011640 -0.191891 0.155408 -0.093125 0.176107 0.007070 5C 1dxy 0.096060 -0.006682 -0.120273 0.050496 -0.179524 -0.110937 5C 2dz2 0.114635 -0.163985 0.418472 -0.245080 0.225906 0.515712 5C 2dxz 0.608670 -0.034707 0.088600 0.160071 -0.249348 -0.223299 5C 2dyz 0.168889 0.826516 -0.294887 0.278084 -0.424712 -0.193679 5C 2dx2y2 0.003665 1.121187 -0.718158 0.821712 -0.539054 -0.597309 5C 2dxy -0.297328 0.105925 0.229804 -0.266515 0.246240 0.648707 5C 1f0 -0.003752 -0.148456 0.085398 -0.067057 0.111616 -0.077649 5C 1f+1 -0.030918 -0.119609 -0.074765 -0.194674 -0.202131 0.112684 5C 1f-1 0.134999 -0.019118 0.027952 0.049683 -0.036930 0.000730 5C 1f+2 0.101453 -0.121134 0.079366 0.072408 0.121228 -0.096518 5C 1f-2 -0.095865 -0.172252 -0.191813 -0.160776 -0.160409 0.082444 5C 1f+3 -0.070899 -0.073924 -0.021866 -0.137853 -0.008202 0.114324 5C 1f-3 -0.201411 -0.049805 -0.085707 -0.014075 0.014932 -0.005914 6C 1s 0.005678 0.001266 -0.000478 0.001962 -0.001279 0.002865 6C 2s 0.015859 0.003314 -0.000451 0.005391 -0.003896 0.009304 6C 3s -0.016654 0.212653 -0.154757 0.004476 -0.018997 -0.379876 6C 4s -0.031598 -1.416672 0.458595 0.157609 0.193472 1.525390 6C 5s 0.287351 -0.200837 -0.125539 0.020430 0.483169 0.168919 6C 1pz -0.024952 0.036639 0.038446 0.002767 -0.028655 -0.007397 6C 1px 0.021767 0.047290 -0.137327 -0.085811 0.177225 0.048572 6C 1py -0.028596 -0.063919 -0.032848 0.010591 0.057580 0.038530 6C 2pz 0.127130 -0.822653 -0.152038 0.147764 0.144432 0.552219 6C 2px -0.409420 -1.147126 0.282326 1.068626 -0.379175 -0.529617 6C 2py -0.042687 1.509683 0.336361 -0.396319 -0.533730 -0.907736 6C 3pz 1.199067 -0.249693 -0.417692 0.050304 0.333047 0.145842 6C 3px 0.686035 0.129131 0.399404 0.342736 -0.801789 -0.064027 6C 3py -1.978441 0.314771 0.728535 -0.361088 -0.177435 0.061917 6C 1dz2 -0.186019 0.019411 0.123177 0.017071 -0.019723 0.115194 6C 1dxz -0.019334 0.052019 -0.061073 -0.052227 0.115585 -0.006902 6C 1dyz -0.024364 -0.122316 -0.063013 0.020639 0.093920 -0.035998 6C 1dx2y2 -0.009370 -0.199575 -0.140367 0.105134 0.178445 -0.004551 6C 1dxy 0.090616 0.004024 0.112711 -0.058047 -0.174932 0.117628 6C 2dz2 0.137752 -0.192772 -0.385798 0.255558 0.231396 -0.506453 6C 2dxz 0.603765 -0.028367 -0.089336 -0.170030 -0.208565 0.213156 6C 2dyz 0.152280 0.841219 0.244437 -0.311428 -0.428854 0.151892 6C 2dx2y2 -0.012973 1.153281 0.634248 -0.869587 -0.545683 0.559557 6C 2dxy -0.263773 0.072299 -0.211320 0.270175 0.226411 -0.637328 6C 1f0 0.007632 0.149934 0.075963 -0.076746 -0.110458 -0.076306 6C 1f+1 0.033841 0.111874 -0.075580 -0.190482 0.209234 0.103769 6C 1f-1 -0.137910 0.021402 0.021084 0.050354 0.033745 0.000539 6C 1f+2 -0.104396 0.125063 0.065847 0.069757 -0.133378 -0.098514 6C 1f-2 0.103003 0.160736 -0.192684 -0.154279 0.173042 0.071245 6C 1f+3 0.073581 0.071907 -0.025710 -0.137380 0.018579 0.115695 6C 1f-3 0.205976 0.046400 -0.083370 -0.018084 -0.002244 -0.005590 7C 1s -0.002373 0.003903 0.002532 0.000824 -0.000060 0.000469 7C 2s -0.007254 0.010752 0.007487 0.002524 -0.000603 0.000799 7C 3s 0.301777 0.117006 -0.229841 -0.043658 -0.082095 -0.139584 7C 4s -1.779213 -0.823098 0.462815 0.369549 0.378486 0.321590 7C 5s -0.251656 0.038592 -0.497139 0.292627 0.150544 0.002771 7C 1pz 0.093095 0.067818 0.065069 -0.045836 -0.002879 0.052900 7C 1px -0.075224 0.019216 -0.055600 0.066933 0.022752 0.018459 7C 1py 0.035136 -0.007723 0.016622 0.017729 -0.008043 -0.020682 7C 2pz -1.950083 -0.903083 -0.276067 0.650252 0.353451 -0.169705 7C 2px -0.276640 -0.488428 -0.017126 -0.537003 0.203520 -0.158803 7C 2py -1.204444 -0.648517 -0.108232 -0.004240 0.356982 0.037044 7C 3pz -1.442051 0.850742 -0.168020 0.181453 0.306306 0.259568 7C 3px 0.001377 0.262237 0.475143 -0.291674 -0.027753 0.320475 7C 3py -0.949645 0.641386 0.129937 0.019295 0.158297 0.295650 7C 1dz2 0.140254 0.261782 0.045324 0.034645 -0.013047 0.234580 7C 1dxz 0.020438 -0.045910 -0.099912 -0.041550 0.018455 -0.052283 7C 1dyz 0.149233 -0.025210 0.057684 -0.064655 -0.082333 -0.128065 7C 1dx2y2 -0.159482 0.007483 -0.077469 0.011621 0.019123 0.025531 7C 1dxy -0.160639 0.092919 -0.164251 0.072199 0.092059 0.050774 7C 2dz2 -0.873754 -0.682519 -0.585710 -0.120035 0.296886 -0.523027 7C 2dxz -0.155324 0.050228 0.106443 0.348453 -0.192538 -0.242624 7C 2dyz -0.873758 -0.432998 -0.322625 0.173706 0.270233 -0.070533 7C 2dx2y2 0.815850 -0.165749 0.679353 -0.301120 -0.158339 0.013475 7C 2dxy 0.237724 0.357259 0.432977 0.320946 -0.188709 0.487870 7C 1f0 0.108740 -0.261340 0.093569 -0.114420 -0.023012 -0.205087 7C 1f+1 0.119301 -0.026871 0.071870 -0.055149 0.018529 0.109138 7C 1f-1 -0.284838 -0.020991 -0.024965 0.133685 0.091085 0.152279 7C 1f+2 -0.016993 0.077554 -0.097388 0.176655 -0.033949 -0.044073 7C 1f-2 -0.072389 -0.024834 -0.002881 -0.001221 -0.018236 -0.041298 7C 1f+3 -0.026965 -0.148576 0.060737 -0.107933 -0.019482 -0.180704 7C 1f-3 -0.050969 0.124269 -0.007595 0.170162 -0.022156 0.085668 8C 1s 0.004472 -0.010529 -0.002009 0.001483 0.004687 0.000911 8C 2s 0.013578 -0.030606 -0.006623 0.003964 0.014226 0.001274 8C 3s -0.034922 -0.298790 0.059618 0.088697 0.017692 0.305152 8C 4s -0.359266 2.816172 0.163885 -0.807397 -0.644677 -1.314169 8C 5s -2.013169 0.133859 0.733376 -0.293072 -0.367265 -0.134511 8C 1pz 0.014857 0.009179 -0.020772 0.000329 0.008369 -0.059226 8C 1px 0.017945 0.059347 0.045954 -0.021244 -0.063297 -0.021001 8C 1py -0.003853 -0.047166 0.037424 0.011667 -0.019301 0.103820 8C 2pz -0.257423 -0.721284 0.006358 0.402644 0.072575 0.495183 8C 2px -0.397047 -0.870715 -0.340440 0.395650 0.657855 -0.010550 8C 2py -0.231130 1.236730 0.076042 -0.303723 -0.122668 -0.658699 8C 3pz 0.321378 -0.088595 -0.129555 0.151084 -0.000241 0.045050 8C 3px 0.209277 -0.207315 -0.235217 -0.062864 0.241980 0.053726 8C 3py -0.518106 0.262353 0.080225 -0.136485 -0.078467 -0.180441 8C 1dz2 0.128248 0.008455 -0.084830 0.035774 0.032183 -0.046546 8C 1dxz 0.043297 -0.013040 0.051635 0.037887 -0.050795 0.015768 8C 1dyz -0.063206 0.133856 0.039678 -0.036101 -0.057144 -0.084361 8C 1dx2y2 -0.053892 0.012851 -0.016454 0.012611 0.006300 -0.076968 8C 1dxy 0.065437 0.081370 0.001980 0.006361 -0.019706 -0.021536 8C 2dz2 0.055667 -0.174343 0.030796 -0.058433 0.024598 0.046073 8C 2dxz -0.091335 0.203371 0.025241 -0.178232 0.018324 0.002827 8C 2dyz -0.029940 -0.546153 0.037492 0.100433 0.093342 0.432186 8C 2dx2y2 0.077454 -0.237875 0.055146 0.081909 -0.114069 0.221552 8C 2dxy -0.214879 -0.562693 -0.269311 0.220399 0.379229 -0.014791 8C 1f0 -0.046845 0.078948 0.079811 0.096410 -0.129346 -0.091335 8C 1f+1 0.219558 0.141816 -0.296338 -0.323756 0.419822 0.241474 8C 1f-1 -0.049374 0.092398 -0.053098 -0.063257 0.066771 0.031013 8C 1f+2 -0.024973 0.072499 0.041675 0.064295 -0.140997 -0.094551 8C 1f-2 0.001802 0.184109 -0.128634 -0.212789 0.255354 0.127178 8C 1f+3 -0.054970 -0.133085 -0.126425 0.004561 0.215285 0.093394 8C 1f-3 0.080496 0.142643 -0.106698 -0.140070 0.159482 0.015023 9C 1s -0.012472 -0.002865 -0.004577 0.000596 0.003890 0.003300 9C 2s -0.036500 -0.008055 -0.013598 0.001563 0.011863 0.010109 9C 3s -0.362887 -0.195964 0.114835 0.069395 0.074683 0.032367 9C 4s 3.372784 1.374845 0.302355 -0.528726 -0.814580 -0.146580 9C 5s 1.325180 -0.912380 0.128279 -0.260847 -0.325463 -0.354527 9C 1pz 0.062003 0.025589 -0.065643 -0.012585 -0.007506 -0.020742 9C 1px 0.072084 0.033671 -0.002982 -0.000952 -0.038190 -0.029141 9C 1py 0.050336 0.043573 -0.025958 -0.021650 -0.010091 -0.003091 9C 2pz -1.615203 -0.422725 -0.163143 0.476682 0.338012 0.155515 9C 2px -0.556935 -0.350842 -0.119371 -0.078424 0.301657 0.101751 9C 2py -0.891879 -1.089558 -0.064269 0.072355 0.204296 -0.573634 9C 3pz -0.603953 0.143591 0.023125 0.037894 0.098890 0.137949 9C 3px -0.120409 -0.037656 -0.069128 0.098134 0.087547 0.008132 9C 3py -0.366153 0.083435 -0.079384 0.124281 0.145669 0.100927 9C 1dz2 -0.092785 -0.026021 0.034699 0.019042 0.039557 0.115198 9C 1dxz 0.053468 -0.031421 0.034272 -0.005167 -0.005169 0.009836 9C 1dyz -0.178504 -0.051239 0.036405 0.024178 0.052875 0.047518 9C 1dx2y2 0.073358 -0.057822 0.023637 0.010343 0.021903 0.032402 9C 1dxy 0.042605 -0.091304 0.079120 -0.052281 0.005401 -0.023179 9C 2dz2 0.453838 0.005790 -0.027617 -0.158241 -0.081449 -0.232448 9C 2dxz 0.263734 0.254569 0.242223 -0.028972 -0.127435 0.140119 9C 2dyz 0.714372 0.559663 -0.066498 -0.115041 -0.213795 0.043855 9C 2dx2y2 -0.209024 -0.016045 -0.125633 0.050420 -0.054258 -0.215251 9C 2dxy 0.306201 0.049299 0.016426 0.026586 -0.119034 -0.101965 9C 1f0 0.013984 -0.047955 0.025504 0.008724 0.008457 0.027659 9C 1f+1 -0.006562 -0.226718 0.037472 -0.156326 0.013482 -0.170799 9C 1f-1 -0.238981 -0.148475 -0.018168 0.069009 0.066153 0.012045 9C 1f+2 0.069364 0.024876 -0.012769 0.135364 -0.044947 -0.019208 9C 1f-2 -0.127342 0.078480 -0.104443 0.175748 0.021297 0.088497 9C 1f+3 -0.066095 -0.007960 -0.006063 -0.038848 0.048264 0.073306 9C 1f-3 -0.237437 0.164922 -0.138325 0.378016 0.000241 0.107988 10H 1s -0.002576 0.005906 -0.036615 -0.008806 0.017130 -0.061270 10H 2s -0.237023 -0.170329 -0.093495 0.092339 0.145825 -0.193085 10H 3s 0.101937 0.063985 0.021629 -0.055166 0.013068 -0.027939 10H 1pz -0.110059 0.006105 0.034264 -0.082424 0.053744 -0.123191 10H 1px 0.097166 0.065393 0.055380 -0.062588 -0.031300 0.035939 10H 1py 0.043549 -0.119299 -0.070317 0.215830 0.015498 0.098955 11H 1s 0.088865 0.025576 0.052606 -0.004073 -0.012890 0.000171 11H 2s -0.175802 -0.290667 0.059683 0.014344 0.020754 0.199797 11H 3s 0.055054 0.128947 0.022172 -0.048067 0.021894 -0.076370 11H 1pz 0.023579 -0.197431 -0.054773 0.106596 0.001657 0.137884 11H 1px -0.145600 -0.036225 0.046486 -0.098914 0.007745 0.012020 11H 1py 0.145896 0.004962 -0.004498 -0.048641 -0.066989 0.072871 12H 1s 0.045190 0.016607 -0.008158 0.045517 -0.042888 0.081762 12H 2s -0.438271 0.389866 0.084864 -0.168979 0.083006 -0.386759 12H 3s 0.084945 -0.037818 -0.051683 0.082832 -0.081362 0.122954 12H 1pz 0.075310 0.150815 -0.004513 -0.022236 -0.046759 -0.036293 12H 1px -0.006159 0.015686 0.018143 0.130994 0.015481 0.018038 12H 1py -0.252380 0.174622 0.031549 -0.167102 0.050941 -0.239536 13H 1s 0.019485 0.004074 0.010517 0.018284 -0.002138 -0.029868 13H 2s -0.040571 -0.304512 0.059411 0.050145 0.317169 -0.084659 13H 3s 0.066400 0.095543 0.055693 0.077014 -0.001691 0.013753 13H 1pz -0.060655 -0.181069 -0.131549 -0.135045 -0.082969 0.053995 13H 1px -0.052990 0.046161 -0.037120 -0.078213 -0.097612 0.107050 13H 1py -0.029221 0.004298 -0.136124 -0.122014 -0.227048 0.042436 14H 1s -0.009990 0.017330 -0.038127 -0.020982 -0.018632 0.022336 14H 2s 0.492562 -0.082523 -0.032332 0.104975 -0.127073 -0.158257 14H 3s -0.074177 0.080523 -0.024226 -0.048919 0.038609 0.021882 14H 1pz 0.173703 0.032770 0.111757 0.188619 0.152886 -0.197974 14H 1px 0.138196 -0.109306 -0.054108 -0.053145 -0.124506 0.023672 14H 1py -0.067446 -0.094223 0.089212 0.000419 0.156063 -0.038895 15H 1s -0.014365 0.062941 0.009579 0.011060 -0.022984 0.090303 15H 2s -0.067715 -0.220851 0.028010 -0.167057 0.103956 -0.177919 15H 3s 0.088003 0.142720 0.081000 0.024835 -0.005185 0.065090 15H 1pz -0.101413 0.133428 -0.050151 0.006489 -0.065927 0.036655 15H 1px 0.003337 0.061151 0.097489 0.096683 0.188614 -0.116027 15H 1py 0.097751 0.116113 0.055595 0.127919 0.036226 0.062978 16H 1s 0.000271 -0.012938 -0.034065 0.019901 -0.004354 -0.039579 16H 2s -0.188164 -0.274974 -0.265936 0.142560 0.170333 -0.235827 16H 3s 0.024718 0.080391 0.080710 0.006261 -0.032176 0.022229 16H 1pz -0.073049 -0.117097 -0.114309 0.064930 0.059135 -0.110979 16H 1px -0.001080 -0.005650 -0.022922 -0.005082 0.001918 -0.021854 16H 1py -0.008572 -0.017379 -0.016028 0.022272 0.011478 -0.020992 17H 1s -0.007581 -0.016813 -0.017168 -0.013989 -0.005048 -0.019677 17H 2s -0.207250 -0.246010 -0.390320 0.071075 0.157786 -0.220497 17H 3s 0.062101 0.026244 0.151336 -0.042350 0.010190 0.052156 17H 1pz 0.067906 0.074495 0.132042 -0.028769 -0.040529 0.092326 17H 1px 0.046979 0.072817 0.087898 0.000843 -0.041733 0.039853 17H 1py -0.028161 -0.030426 -0.060840 -0.005579 0.010238 -0.027703 18H 1s -0.009113 -0.015091 0.019338 0.013031 -0.004887 0.019950 18H 2s -0.217971 -0.228753 0.384089 -0.053299 0.147542 0.244940 18H 3s 0.067504 0.017920 -0.148698 0.041385 0.012709 -0.059922 18H 1pz -0.073662 -0.069100 0.132996 -0.024641 0.039071 0.100608 18H 1px -0.049017 -0.068709 0.087290 0.005234 0.038994 0.044239 18H 1py 0.028313 0.025319 -0.056720 -0.007593 -0.007322 -0.028597 19H 1s -0.001804 -0.010032 0.035534 -0.019950 -0.003217 0.039377 19H 2s -0.196316 -0.266862 0.264657 -0.123618 0.164436 0.259000 19H 3s 0.028734 0.072618 -0.084361 -0.006180 -0.027998 -0.022197 19H 1pz 0.076625 0.112237 -0.114360 0.057348 -0.057618 -0.119552 19H 1px 0.002065 0.002551 -0.022833 -0.004356 -0.001230 -0.020386 19H 1py 0.011213 0.019889 -0.019369 0.022114 -0.013128 -0.024751 20H 1s -0.012126 0.060556 -0.012277 -0.012279 -0.023252 -0.089506 20H 2s -0.078791 -0.214201 -0.017437 0.176304 0.105925 0.171027 20H 3s 0.095062 0.136884 -0.083565 -0.027209 -0.001632 -0.066420 20H 1pz 0.100342 -0.136942 -0.036365 0.011153 0.070803 0.037436 20H 1px -0.005009 -0.054954 0.097532 0.089413 -0.195806 -0.106118 20H 1py -0.105135 -0.108376 0.056312 0.130743 -0.043119 0.063739 21H 1s -0.012447 0.019088 0.035343 0.019149 -0.022328 -0.026048 21H 2s 0.494607 -0.082577 0.042514 -0.110911 -0.102905 0.160146 21H 3s -0.077008 0.081299 0.018211 0.047730 0.031828 -0.034629 21H 1pz -0.178999 -0.025064 0.105056 0.184208 -0.169125 -0.191646 21H 1px -0.136893 0.106170 -0.060845 -0.049771 0.122592 0.018317 21H 1py 0.066539 0.099567 0.079236 -0.009119 -0.155802 -0.039020 22H 1s 0.020152 0.003162 -0.008182 -0.018234 -0.000809 0.031949 22H 2s -0.040821 -0.311884 -0.026387 -0.037565 0.313991 0.085784 22H 3s 0.068360 0.090706 -0.057095 -0.077396 0.003900 -0.019398 22H 1pz 0.067560 0.173577 -0.138198 -0.134400 0.096165 0.048420 22H 1px 0.052111 -0.048966 -0.029841 -0.073837 0.102767 0.103807 22H 1py 0.035433 -0.015612 -0.123776 -0.114050 0.233985 0.038775 23H 1s 0.049150 0.014676 0.005992 -0.046518 -0.043126 -0.083786 23H 2s -0.451453 0.393616 -0.120509 0.168066 0.090762 0.415304 23H 3s 0.086718 -0.040461 0.052603 -0.088037 -0.083847 -0.140625 23H 1pz -0.074108 -0.156418 0.005059 -0.024089 0.044630 -0.046736 23H 1px 0.004931 -0.014366 0.013644 0.124648 -0.023144 -0.023371 23H 1py 0.259146 -0.178777 0.051077 -0.162192 -0.050870 -0.235975 24H 1s 0.090727 0.024903 -0.049018 0.003027 -0.008477 0.000236 24H 2s -0.166949 -0.310703 -0.046455 -0.022428 0.011017 -0.228457 24H 3s 0.049569 0.135492 -0.025213 0.046288 0.026253 0.074558 24H 1pz -0.025223 0.201268 -0.068241 0.103496 0.002197 0.131170 24H 1px 0.142167 0.045113 0.051614 -0.089604 -0.002353 0.046295 24H 1py -0.146464 -0.006556 -0.000860 -0.046680 0.070754 0.099849 25H 1s -0.005538 0.008414 0.038631 0.008790 0.015652 0.061794 25H 2s -0.240151 -0.170556 0.105832 -0.097026 0.147837 0.187370 25H 3s 0.101157 0.062955 -0.018724 0.049831 0.013089 0.015557 25H 1pz 0.110362 -0.004949 0.034994 -0.074732 -0.053911 -0.100225 25H 1px -0.097356 -0.066819 0.057255 -0.061678 0.031647 0.045933 25H 1py -0.044299 0.119811 -0.082462 0.207936 -0.018878 0.068018 26O 1s -0.019416 -0.011407 0.027849 -0.016933 0.006121 0.018440 26O 2s -0.065993 -0.040300 0.098453 -0.057063 0.021120 0.065884 26O 3s 0.508596 0.326374 -0.810890 0.384657 -0.166391 -0.562013 26O 4s -1.297255 -0.834784 2.070380 -0.565204 0.437477 1.437336 26O 5s -0.067391 0.634626 -1.307639 1.244917 -0.021043 -0.882881 26O 1pz 0.037663 -0.002441 0.051498 0.034985 -0.029930 0.085525 26O 1px -0.135735 -0.039058 -0.060244 0.049482 0.035158 -0.042310 26O 1py -0.087750 0.186086 0.074482 -0.145290 0.026991 -0.154851 26O 2pz -0.069453 0.045238 -0.116954 -0.108451 0.071137 -0.264986 26O 2px 0.413432 0.206547 -0.200315 -0.290173 -0.126315 -0.223296 26O 2py 0.282914 -0.412305 -0.319493 0.305801 -0.081160 0.278254 26O 3pz 0.009924 0.281568 0.082998 0.138963 -0.072095 -0.106926 26O 3px 0.109707 0.317565 0.434679 -0.226636 -0.170859 0.158082 26O 3py -0.017555 0.363269 0.190331 -0.042890 -0.006841 -0.045637 26O 1dz2 0.013543 0.005508 -0.005514 0.004766 -0.006977 0.001083 26O 1dxz -0.005745 0.004893 0.012605 -0.007042 0.000286 0.002189 26O 1dyz 0.007930 0.002192 -0.001315 0.000370 -0.000685 -0.001092 26O 1dx2y2 -0.009861 0.000395 -0.000357 -0.006039 0.003865 -0.008878 26O 1dxy -0.007419 -0.002099 0.002156 0.003879 0.000468 0.005195 26O 2dz2 0.075644 -0.001304 0.000527 0.033418 -0.024012 0.020146 26O 2dxz 0.104094 -0.110396 0.082971 0.102003 -0.025222 0.222985 26O 2dyz 0.113009 0.012916 -0.015227 0.075715 -0.035141 0.046436 26O 2dx2y2 0.062247 -0.191887 -0.148777 0.201379 -0.001158 0.121433 26O 2dxy -0.009187 0.173097 0.052676 -0.111776 0.008771 -0.162378 26O 1f0 -0.013190 0.005118 -0.007430 -0.000641 0.003486 -0.013081 26O 1f+1 0.014835 -0.015087 0.001592 0.016742 -0.000288 0.011776 26O 1f-1 0.009168 -0.016486 -0.008988 0.018251 -0.001343 0.007565 26O 1f+2 0.010889 -0.006033 0.016461 0.002665 0.000045 0.012911 26O 1f-2 0.008463 0.009237 -0.005952 0.005686 -0.002780 -0.006845 26O 1f+3 0.001040 0.015704 0.020683 -0.013506 0.005839 -0.005419 26O 1f-3 -0.008063 0.003536 0.015733 0.009648 -0.003433 0.016367 27O 1s 0.006525 -0.024648 0.029841 -0.004383 0.025236 0.000061 27O 2s 0.021669 -0.086878 0.101984 -0.018009 0.085773 0.003131 27O 3s -0.151474 0.725466 -0.771524 0.244730 -0.613186 -0.126765 27O 4s 0.213000 -1.902825 1.740297 -1.021634 1.248738 0.860862 27O 5s 0.176375 0.629664 -1.125912 -0.713119 -1.224414 0.563927 27O 1pz 0.126973 0.131046 0.044065 0.163388 0.041170 0.011549 27O 1px 0.038572 0.051092 0.122049 0.058471 0.150747 -0.036185 27O 1py 0.009224 -0.033674 -0.028237 -0.039185 -0.059272 -0.108930 27O 2pz -0.342890 -0.302936 -0.097301 -0.411094 -0.065142 0.041201 27O 2px -0.065934 0.255885 -0.406566 0.379257 -0.246092 -0.406809 27O 2py -0.039875 -0.048627 0.066579 -0.068882 0.059950 0.318478 27O 3pz 0.091661 0.142010 -0.032689 0.059321 0.142894 0.056941 27O 3px 0.144548 0.482329 0.362958 0.231514 0.367896 -0.001308 27O 3py -0.117647 -0.370241 -0.085384 -0.023467 -0.192140 -0.173658 27O 1dz2 0.002300 -0.001035 -0.007189 0.000882 -0.006602 -0.003056 27O 1dxz -0.002192 -0.002597 -0.000726 -0.007988 -0.006493 0.008898 27O 1dyz 0.003461 -0.005650 0.008368 0.000989 0.011267 0.000678 27O 1dx2y2 0.001861 -0.003132 0.012140 0.002749 0.018198 -0.003904 27O 1dxy -0.004623 -0.002697 -0.009736 -0.001367 -0.003893 -0.005480 27O 2dz2 0.023049 -0.029242 0.033783 0.034728 0.071045 -0.030031 27O 2dxz 0.181430 0.118609 0.107993 0.165668 0.058059 0.004385 27O 2dyz -0.045475 -0.075217 0.079295 -0.020764 0.088610 0.024931 27O 2dx2y2 0.038319 0.007030 0.027787 0.005824 0.001282 -0.039617 27O 2dxy 0.099263 0.043673 0.045074 0.113266 0.040699 -0.149107 27O 1f0 -0.001744 -0.004446 -0.005298 -0.006867 -0.010381 -0.006492 27O 1f+1 0.013541 -0.010010 0.005863 -0.015574 -0.003969 0.019101 27O 1f-1 0.005418 0.003005 0.000663 0.002406 -0.003765 0.002406 27O 1f+2 0.005575 0.014617 0.024242 0.013992 0.023577 0.007599 27O 1f-2 -0.008337 0.003790 0.020729 -0.003374 0.017075 0.012980 27O 1f+3 -0.020008 -0.011032 -0.010245 -0.025988 -0.011012 0.028014 27O 1f-3 -0.006906 0.015792 0.015112 0.017748 0.029616 0.007747 28O 1s -0.000506 0.002335 -0.006847 0.002468 -0.006443 0.000840 28O 2s -0.001559 0.008546 -0.020113 0.006170 -0.023092 0.005939 28O 3s 0.048322 -0.101458 0.083219 0.035144 0.192116 -0.095284 28O 4s -0.297378 0.396153 0.104548 -0.437491 -0.477102 0.380683 28O 5s -0.827968 0.183487 -0.013346 -0.649998 0.463166 -0.438634 28O 1pz 0.026267 0.061766 0.040928 0.097875 0.040325 -0.052291 28O 1px -0.055523 0.005225 0.245862 -0.007700 0.025351 0.072337 28O 1py 0.025218 -0.052447 0.118506 0.034540 0.000009 0.092133 28O 2pz 0.122306 -0.233506 -0.212239 0.012249 -0.058723 0.049767 28O 2px -0.007108 0.153786 -0.421889 -0.258188 -0.127956 -0.092621 28O 2py 0.049220 0.096261 -0.295058 -0.015886 0.002582 -0.228202 28O 3pz 0.520935 0.294948 -0.499213 0.177063 -0.016147 -0.303616 28O 3px -0.362608 -0.100408 0.293931 -0.153593 0.153056 0.047832 28O 3py 0.238194 0.094840 -0.233282 0.021423 -0.045808 -0.207244 28O 1dz2 -0.005304 0.000082 0.000522 -0.001176 0.003546 -0.003213 28O 1dxz -0.003643 0.000084 0.012091 -0.005417 0.004119 0.001943 28O 1dyz -0.003964 0.001659 -0.002242 -0.001467 0.003291 -0.009575 28O 1dx2y2 0.007336 0.002482 -0.008962 0.003782 0.002056 -0.005583 28O 1dxy -0.001210 -0.000379 -0.000842 -0.001871 -0.002921 0.004537 28O 2dz2 -0.011498 0.074435 0.119657 -0.000289 0.046982 -0.043204 28O 2dxz 0.013775 -0.041164 -0.021971 0.038790 0.002173 0.015266 28O 2dyz -0.050484 -0.029009 0.060514 -0.059706 0.002380 0.061115 28O 2dx2y2 0.010404 -0.037581 -0.092173 -0.011439 -0.000999 0.000278 28O 2dxy -0.009091 0.063979 -0.060473 -0.005775 0.037471 -0.141707 28O 1f0 0.009173 0.002818 0.001179 0.003035 -0.001445 0.004987 28O 1f+1 -0.035105 -0.031883 0.008510 -0.006646 0.001326 0.030760 28O 1f-1 -0.013746 -0.004810 0.004088 -0.007559 0.003646 -0.001355 28O 1f+2 0.008097 -0.010588 -0.014590 0.023979 0.002229 -0.001232 28O 1f-2 -0.023662 0.015689 0.010983 -0.017098 0.010726 -0.018334 28O 1f+3 -0.012830 -0.025313 -0.003373 0.005868 0.007414 0.006341 28O 1f-3 -0.039334 0.019690 0.017833 -0.021750 0.017103 -0.027771 29O 1s -0.004220 -0.007088 -0.017637 0.005419 0.006003 -0.015461 29O 2s -0.013999 -0.023606 -0.059188 0.018181 0.020153 -0.051838 29O 3s 0.082658 0.144902 0.389529 -0.119209 -0.130448 0.343783 29O 4s -0.188250 -0.318951 -0.686522 0.200137 0.231590 -0.568082 29O 5s 0.708702 1.051358 1.401872 -0.392137 -0.545128 0.969726 29O 1pz -0.001618 0.017545 0.044362 -0.023271 -0.012462 0.054043 29O 1px -0.009345 -0.009123 -0.131571 0.035773 0.019118 -0.137161 29O 1py 0.030967 0.054647 0.072080 -0.014053 -0.021147 0.039806 29O 2pz -0.021058 -0.079014 -0.097503 0.090365 0.047307 -0.143497 29O 2px 0.083716 0.105112 0.361484 -0.084442 -0.076505 0.324321 29O 2py -0.119005 -0.191084 -0.247100 0.055321 0.082912 -0.152012 29O 3pz 0.084183 0.082943 0.181300 -0.015940 -0.049544 0.091746 29O 3px -0.186633 -0.305207 -0.434752 0.111437 0.105379 -0.299437 29O 3py -0.107756 -0.087921 -0.116848 0.058850 0.110491 -0.093399 29O 1dz2 -0.001075 -0.003561 -0.000614 0.001892 -0.000040 -0.001375 29O 1dxz -0.004936 -0.003812 -0.004641 -0.000199 0.001541 -0.000921 29O 1dyz -0.000087 -0.000441 0.002246 0.002158 0.001155 0.000274 29O 1dx2y2 0.002638 0.005395 0.002328 -0.000355 -0.000860 -0.000001 29O 1dxy 0.001645 -0.000288 0.000985 0.000812 -0.001316 -0.000622 29O 2dz2 0.013769 0.022534 0.035135 -0.024428 -0.019588 0.040235 29O 2dxz -0.002750 0.006444 0.019359 0.007345 -0.002318 0.015116 29O 2dyz 0.002119 0.016615 0.009535 -0.027966 -0.001815 0.032105 29O 2dx2y2 0.010337 0.018023 0.000684 0.008574 0.004939 -0.018730 29O 2dxy -0.034704 -0.054568 -0.085732 0.012775 0.018853 -0.069496 29O 1f0 -0.002502 -0.001984 -0.002865 -0.000252 0.003099 -0.000998 29O 1f+1 0.002826 0.001731 0.003076 -0.001973 -0.002259 0.002585 29O 1f-1 -0.001475 0.001462 0.001377 -0.000890 0.001230 0.003378 29O 1f+2 -0.001348 0.001454 -0.000444 -0.000629 -0.001206 0.002132 29O 1f-2 0.000536 -0.000516 -0.000054 0.003377 0.002025 -0.000173 29O 1f+3 -0.001779 -0.003048 -0.000977 -0.000674 0.001052 0.001679 29O 1f-3 -0.000505 0.001994 0.000191 -0.001771 -0.000853 -0.000165 30O 1s -0.009012 0.006929 -0.011668 -0.013732 -0.023818 -0.002932 30O 2s -0.031852 0.025804 -0.037058 -0.046336 -0.079959 -0.009140 30O 3s 0.191079 -0.236258 0.196231 0.311910 0.553099 0.085985 30O 4s -0.037738 0.581705 -0.152153 -0.421708 -0.979271 -0.307764 30O 5s 1.591066 -0.515827 0.909930 1.002214 0.973460 -0.722549 30O 1pz -0.003925 -0.044001 -0.036644 -0.008620 0.030718 0.041920 30O 1px -0.085000 -0.014551 0.190401 -0.046257 0.196070 0.219970 30O 1py -0.133912 0.079651 0.045718 0.047237 0.097823 -0.187918 30O 2pz -0.156206 0.029540 -0.080003 -0.069505 -0.185640 0.021154 30O 2px 0.380414 0.186884 -0.261394 0.251696 -0.369975 -0.636205 30O 2py 0.447075 -0.098404 0.066670 -0.051530 -0.132050 0.299987 30O 3pz 0.172433 0.205956 -0.440809 0.152974 -0.356727 -0.090429 30O 3px 0.095994 -0.132861 0.375036 0.143312 0.277176 -0.023856 30O 3py -0.389875 -0.160906 0.473986 -0.172420 0.483700 0.002094 30O 1dz2 -0.001401 -0.001923 0.000667 -0.000598 -0.000656 0.004781 30O 1dxz -0.003774 0.000384 0.008513 0.002941 0.018617 -0.001367 30O 1dyz -0.005912 0.004832 0.003974 -0.002666 -0.001700 0.005292 30O 1dx2y2 -0.004631 0.002081 -0.007796 -0.001970 -0.011868 -0.000051 30O 1dxy -0.001181 -0.005958 -0.012886 -0.003783 -0.013017 -0.002264 30O 2dz2 -0.066582 -0.014933 0.029293 -0.019914 0.108761 0.034334 30O 2dxz 0.038675 -0.001074 -0.022047 -0.012306 -0.086255 0.062415 30O 2dyz -0.033176 -0.019109 -0.135572 -0.047658 -0.150793 -0.027908 30O 2dx2y2 -0.011870 -0.015889 -0.062711 0.043164 -0.004079 -0.166704 30O 2dxy 0.061408 0.017194 -0.035640 -0.010079 -0.090684 0.001178 30O 1f0 0.012349 0.008481 0.000201 0.002277 -0.004903 0.003587 30O 1f+1 0.029263 -0.006187 0.025358 0.009515 0.009403 0.001620 30O 1f-1 0.003401 -0.006912 -0.002146 -0.005325 -0.010298 0.006609 30O 1f+2 -0.016622 -0.020532 -0.008345 -0.016889 0.002669 -0.002578 30O 1f-2 -0.011164 -0.002090 -0.025192 -0.011306 -0.015253 0.011172 30O 1f+3 0.001000 -0.032106 0.033860 -0.005596 0.038877 -0.011668 30O 1f-3 0.008296 -0.003791 -0.012259 0.000177 -0.015538 0.001468 31O 1s -0.009433 0.008014 0.009342 0.012984 -0.024039 0.004933 31O 2s -0.033194 0.029366 0.028921 0.043907 -0.080606 0.015997 31O 3s 0.199744 -0.259421 -0.134503 -0.296767 0.552973 -0.133652 31O 4s -0.057303 0.622011 0.029446 0.402267 -0.954509 0.381751 31O 5s 1.590191 -0.575442 -0.754114 -0.992180 1.037859 0.551300 31O 1pz 0.007018 0.041722 -0.042483 -0.006853 -0.028974 0.046850 31O 1px 0.075282 0.031467 0.182349 -0.058201 -0.198777 0.213740 31O 1py 0.133944 -0.080038 0.057227 0.042717 -0.098701 -0.186396 31O 2pz 0.150217 -0.030522 -0.065179 -0.067511 0.194616 -0.000026 31O 2px -0.358283 -0.218519 -0.238858 0.273572 0.359925 -0.608007 31O 2py -0.447345 0.104192 0.041137 -0.048123 0.121456 0.306165 31O 3pz -0.158134 -0.233110 -0.435224 0.183441 0.368032 -0.066134 31O 3px -0.101681 0.157880 0.352629 0.133922 -0.297943 -0.005860 31O 3py 0.373159 0.186716 0.480280 -0.208659 -0.495859 -0.014383 31O 1dz2 -0.001237 -0.002034 -0.000466 0.000673 -0.000765 -0.004635 31O 1dxz -0.003546 -0.000186 -0.007972 -0.002198 0.018762 0.000842 31O 1dyz -0.005703 0.004673 -0.004779 0.002770 -0.001772 -0.004826 31O 1dx2y2 -0.004843 0.002675 0.006900 0.001199 -0.012213 0.000077 31O 1dxy -0.001802 -0.005092 0.012520 0.002989 -0.013323 0.002378 31O 2dz2 -0.067014 -0.017253 -0.027728 0.023243 0.107738 -0.034153 31O 2dxz 0.040612 -0.000829 0.022332 0.009845 -0.085695 -0.056647 31O 2dyz -0.037777 -0.008984 0.127090 0.042233 -0.156591 0.033072 31O 2dx2y2 -0.016369 -0.008891 0.060169 -0.045877 -0.006097 0.160959 31O 2dxy 0.060539 0.020204 0.033304 0.007028 -0.089264 -0.001900 31O 1f0 -0.012130 -0.008594 0.000333 0.002715 0.004464 0.004050 31O 1f+1 -0.030907 0.007782 0.023379 0.008998 -0.011330 0.000866 31O 1f-1 -0.003479 0.006677 -0.002349 -0.005242 0.010671 0.005981 31O 1f+2 0.017293 0.019731 -0.008825 -0.017235 -0.001476 -0.002611 31O 1f-2 0.011833 0.000839 -0.024797 -0.010303 0.016960 0.010618 31O 1f+3 -0.001652 0.033763 0.030664 -0.007767 -0.039521 -0.011409 31O 1f-3 -0.008349 0.003007 -0.012311 0.001158 0.015452 0.000490 32O 1s -0.004845 -0.006246 0.017678 -0.004865 0.005700 0.015969 32O 2s -0.016093 -0.020764 0.059329 -0.016316 0.019118 0.053510 32O 3s 0.096476 0.125762 -0.390818 0.107308 -0.123434 -0.353500 32O 4s -0.212840 -0.283066 0.691154 -0.177631 0.218634 0.588100 32O 5s 0.757150 0.980265 -1.408826 0.330548 -0.517283 -1.045927 32O 1pz 0.000297 -0.013475 0.043205 -0.022082 0.011785 0.053161 32O 1px 0.015356 0.002529 -0.132394 0.035626 -0.017732 -0.139080 32O 1py -0.033707 -0.050227 0.073782 -0.012067 0.020266 0.043117 32O 2pz 0.022361 0.069352 -0.093169 0.084264 -0.045484 -0.142548 32O 2px -0.099268 -0.088118 0.363529 -0.079867 0.071823 0.335930 32O 2py 0.127667 0.178385 -0.249461 0.047564 -0.079497 -0.165387 32O 3pz -0.092218 -0.071041 0.182665 -0.012669 0.046472 0.096722 32O 3px 0.203323 0.279646 -0.440681 0.099283 -0.097301 -0.317661 32O 3py 0.110611 0.085509 -0.110548 0.047974 -0.105862 -0.110426 32O 1dz2 -0.001160 -0.003515 0.000776 -0.001843 0.000045 0.001666 32O 1dxz -0.005116 -0.003489 0.004645 0.000365 0.001424 0.001183 32O 1dyz -0.000016 -0.000616 -0.002189 -0.002027 0.001213 -0.000099 32O 1dx2y2 0.002668 0.005317 -0.002362 0.000109 -0.000787 -0.000303 32O 1dxy 0.001651 -0.000330 -0.000796 -0.000934 -0.001212 0.000368 32O 2dz2 0.014902 0.020981 -0.035197 0.020562 -0.019096 -0.040290 32O 2dxz -0.001505 0.006866 -0.020728 -0.008316 -0.001888 -0.017673 32O 2dyz 0.003337 0.017593 -0.011101 0.027874 -0.003228 -0.033798 32O 2dx2y2 0.010817 0.017992 -0.002351 -0.009319 0.005165 0.017566 32O 2dxy -0.037554 -0.049855 0.085718 -0.011470 0.017805 0.072403 32O 1f0 0.002307 0.001999 -0.002651 -0.000614 -0.002762 -0.001377 32O 1f+1 -0.002928 -0.001776 0.003050 -0.001736 0.002316 0.002854 32O 1f-1 0.001448 -0.001070 0.001619 -0.001040 -0.001128 0.003107 32O 1f+2 0.001360 -0.001567 -0.000383 -0.000594 0.001323 0.001861 32O 1f-2 -0.000729 0.000393 0.000237 0.003059 -0.001900 -0.000181 32O 1f+3 0.001737 0.003026 -0.000978 -0.000811 -0.001001 0.001452 32O 1f-3 0.000628 -0.001925 0.000105 -0.001640 0.000721 -0.000159 33O 1s -0.000942 0.003009 0.006221 -0.000990 -0.006783 0.001848 33O 2s -0.002854 0.010648 0.017864 -0.001225 -0.024263 0.002977 33O 3s 0.053870 -0.112137 -0.061055 -0.067470 0.202489 0.037560 33O 4s -0.289241 0.393018 -0.179299 0.482381 -0.504973 -0.298509 33O 5s -0.822221 0.157888 -0.007098 0.578127 0.452622 0.312709 33O 1pz -0.027072 -0.059732 0.035464 0.097197 -0.049664 -0.072641 33O 1px 0.045927 0.009488 0.238609 0.001530 -0.033246 0.079150 33O 1py -0.032911 0.064688 0.110333 0.042013 -0.002811 0.114873 33O 2pz -0.112906 0.218437 -0.216148 0.001472 0.073038 0.074865 33O 2px 0.019119 -0.174045 -0.383913 -0.264582 0.153143 -0.079594 33O 2py -0.031086 -0.125401 -0.283112 -0.034763 0.000920 -0.287693 33O 3pz -0.500016 -0.322514 -0.504599 0.164960 0.012143 -0.340806 33O 3px 0.350233 0.124817 0.293798 -0.145544 -0.155454 0.064490 33O 3py -0.229529 -0.104678 -0.237645 0.025976 0.045835 -0.199353 33O 1dz2 -0.005184 -0.000183 -0.000389 0.000730 0.003511 0.002232 33O 1dxz -0.003195 -0.000525 -0.011857 0.004591 0.004346 -0.003524 33O 1dyz -0.004258 0.001787 0.002431 0.000894 0.003338 0.009178 33O 1dx2y2 0.006828 0.003328 0.009057 -0.002857 0.002020 0.007450 33O 1dxy -0.001099 -0.000551 0.000458 0.001593 -0.003225 -0.006032 33O 2dz2 -0.009357 0.070872 -0.115405 -0.003441 0.056198 0.060981 33O 2dxz 0.013170 -0.041605 0.025379 -0.035961 0.001627 -0.014822 33O 2dyz -0.046292 -0.037360 -0.057863 0.049778 -0.000617 -0.093931 33O 2dx2y2 0.008047 -0.033206 0.090292 0.012970 -0.006534 -0.005413 33O 2dxy -0.015636 0.073085 0.058221 0.009544 0.040465 0.168356 33O 1f0 -0.009345 -0.002449 0.000906 0.003401 0.001242 0.004367 33O 1f+1 0.033842 0.034186 0.007887 -0.005568 0.000272 0.034640 33O 1f-1 0.013654 0.005538 0.004115 -0.006881 -0.003290 0.000459 33O 1f+2 -0.007576 0.009537 -0.015725 0.022706 -0.002604 -0.004439 33O 1f-2 0.024111 -0.016147 0.012329 -0.017352 -0.011132 -0.021447 33O 1f+3 0.013058 0.025527 -0.004478 0.005469 -0.007015 0.006492 33O 1f-3 0.039862 -0.019905 0.019174 -0.021307 -0.017652 -0.029392 34O 1s 0.007428 -0.026082 -0.026946 0.005854 0.026124 -0.000923 34O 2s 0.024780 -0.091737 -0.091923 0.023061 0.088759 -0.005972 34O 3s -0.175671 0.761301 0.691912 -0.282414 -0.633633 0.143296 34O 4s 0.273212 -1.985766 -1.550745 1.107693 1.283449 -0.861206 34O 5s 0.141397 0.690130 1.041689 0.634807 -1.276249 -0.513229 34O 1pz -0.130368 -0.125045 0.047610 0.163960 -0.054339 0.015648 34O 1px -0.044363 -0.040680 0.119302 0.051859 -0.154709 -0.036157 34O 1py -0.011085 0.027872 -0.026605 -0.034644 0.058284 -0.110938 34O 2pz 0.350448 0.291010 -0.105755 -0.414776 0.099326 0.031350 34O 2px 0.086558 -0.282373 -0.376254 0.394391 0.248689 -0.386794 34O 2py 0.045239 0.058410 0.058991 -0.077824 -0.053958 0.318571 34O 3pz -0.091618 -0.137932 -0.028522 0.054995 -0.142390 0.060245 34O 3px -0.160508 -0.452219 0.372883 0.214798 -0.377496 0.019101 34O 3py 0.121098 0.353593 -0.090186 -0.022767 0.191332 -0.189755 34O 1dz2 0.002006 -0.000442 0.006968 -0.000916 -0.006525 0.003417 34O 1dxz -0.002341 -0.002521 0.000510 0.007864 -0.006841 -0.008676 34O 1dyz 0.003785 -0.006184 -0.007457 -0.000394 0.011602 -0.000855 34O 1dx2y2 0.002256 -0.003985 -0.011174 -0.001772 0.018387 0.003640 34O 1dxy -0.005031 -0.002052 0.009634 0.001154 -0.004525 0.005255 34O 2dz2 0.023155 -0.031584 -0.029631 -0.029931 0.072723 0.028897 34O 2dxz 0.189265 0.109878 -0.107467 -0.167536 0.076460 -0.008177 34O 2dyz -0.043266 -0.079748 -0.072248 0.028215 0.087203 -0.023962 34O 2dx2y2 0.041442 0.006669 -0.027717 -0.007727 0.005620 0.043206 34O 2dxy 0.104050 0.041399 -0.045185 -0.113839 0.051327 0.149939 34O 1f0 0.002442 0.003756 -0.004964 -0.006484 0.010780 -0.006387 34O 1f+1 -0.013840 0.010280 0.004663 -0.015120 0.003832 0.018745 34O 1f-1 -0.005509 -0.002855 0.000468 0.002536 0.003816 0.002590 34O 1f+2 -0.006904 -0.012635 0.023652 0.012928 -0.024798 0.008277 34O 1f-2 0.007438 -0.002345 0.020242 -0.004511 -0.016949 0.013385 34O 1f+3 0.020398 0.010434 -0.010379 -0.025759 0.012720 0.027575 34O 1f-3 0.006094 -0.013963 0.014484 0.016801 -0.029465 0.009327 35O 1s -0.018116 -0.013319 -0.027694 0.015795 0.005673 -0.019873 35O 2s -0.061416 -0.046964 -0.097774 0.053188 0.019660 -0.070631 35O 3s 0.471940 0.378499 0.801284 -0.357023 -0.157833 0.590714 35O 4s -1.210086 -0.956671 -2.024321 0.512240 0.436339 -1.466852 35O 5s -0.146957 0.730122 1.308966 -1.176243 0.005002 1.000179 35O 1pz -0.046881 0.014301 0.046550 0.043627 0.025456 0.095280 35O 1px 0.138960 0.037567 -0.062793 0.051942 -0.033339 -0.035369 35O 1py 0.089115 -0.185673 0.086001 -0.136351 -0.031402 -0.136434 35O 2pz 0.090224 -0.072287 -0.103470 -0.123768 -0.063160 -0.275831 35O 2px -0.409582 -0.216813 -0.173377 -0.291690 0.131739 -0.211616 35O 2py -0.283437 0.408645 -0.341551 0.289121 0.094850 0.250064 35O 3pz -0.013977 -0.271276 0.083759 0.163350 0.055795 -0.066568 35O 3px -0.133655 -0.285276 0.449353 -0.190760 0.165227 0.222998 35O 3py 0.009671 -0.348531 0.205614 -0.018389 -0.002632 0.010569 35O 1dz2 0.013364 0.005959 0.005272 -0.004363 -0.006957 0.000260 35O 1dxz -0.005345 0.004217 -0.012851 0.006683 0.000495 -0.002822 35O 1dyz 0.007832 0.002369 0.001477 0.000054 -0.000590 0.001344 35O 1dx2y2 -0.010080 0.000569 0.000041 0.005651 0.003716 0.007555 35O 1dxy -0.007182 -0.002686 -0.002113 -0.004168 0.000501 -0.005098 35O 2dz2 0.077788 -0.003644 0.000627 -0.033657 -0.022366 -0.016627 35O 2dxz 0.115016 -0.124300 -0.069310 -0.105727 -0.022934 -0.221513 35O 2dyz 0.115809 0.010736 0.017658 -0.073698 -0.033398 -0.042677 35O 2dx2y2 0.059423 -0.188893 0.164153 -0.193106 -0.004729 -0.102590 35O 2dxy -0.013776 0.179319 -0.063444 0.111475 0.012437 0.158823 35O 1f0 0.014029 -0.006252 -0.006393 -0.002296 -0.003485 -0.017002 35O 1f+1 -0.015121 0.015320 -0.000134 0.016035 -0.000178 0.010199 35O 1f-1 -0.009022 0.015956 -0.010157 0.017185 0.001172 0.005223 35O 1f+2 -0.011806 0.007361 0.014896 0.004555 -0.000618 0.015500 35O 1f-2 -0.008510 -0.009465 -0.005987 0.006136 0.002352 -0.007358 35O 1f+3 -0.001360 -0.015511 0.021042 -0.012399 -0.006567 -0.002563 35O 1f-3 0.007358 -0.002802 0.015542 0.009473 0.002968 0.014308 522 523 524 525 526 527 3.29364 3.29475 3.29611 3.30861 3.32653 3.35071 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s -0.000089 0.001183 0.000159 -0.000522 0.000225 0.000786 0Rh 2s 0.001118 -0.007817 -0.001672 0.000670 -0.002284 -0.005597 0Rh 3s 0.000151 0.002300 -0.000070 -0.002693 -0.000046 0.001284 0Rh 4s -0.005769 0.042116 0.008878 -0.003574 0.012305 0.030191 0Rh 5s 0.010678 -0.080973 -0.018902 -0.009456 -0.028105 -0.059696 0Rh 6s 0.002469 0.031927 0.014087 0.084688 0.032288 0.029895 0Rh 7s -0.164778 0.092084 0.025887 -0.774485 -0.053121 -0.191879 0Rh 8s 0.070100 -0.178298 0.023529 0.005763 -0.028525 -0.127693 0Rh 1pz 0.000372 0.000459 -0.004137 0.003709 0.000716 -0.001124 0Rh 1px 0.000009 0.000379 0.000289 -0.004628 -0.000679 -0.001644 0Rh 1py 0.002011 -0.001722 -0.001925 0.003555 0.000518 0.004028 0Rh 2pz -0.001034 -0.001954 0.015585 -0.014072 -0.002475 0.004823 0Rh 2px -0.000045 -0.001594 -0.001163 0.016767 0.002617 0.006364 0Rh 2py -0.007568 0.006338 0.007794 -0.013927 -0.002468 -0.015421 0Rh 3pz -0.006460 0.008430 -0.027051 0.026006 -0.000683 -0.021131 0Rh 3px 0.000439 0.006222 0.003558 -0.013384 -0.005773 -0.015316 0Rh 3py 0.012635 -0.007529 -0.025606 0.035904 0.015726 0.032166 0Rh 4pz 0.038727 -0.022129 -0.007235 0.003152 0.023913 0.053272 0Rh 4px -0.002612 -0.013250 -0.006176 -0.086499 0.003129 0.020962 0Rh 4py 0.007501 -0.019744 0.051337 -0.046662 -0.050091 -0.018083 0Rh 5pz -0.076963 0.038339 0.033160 -0.051446 -0.050885 -0.070383 0Rh 5px 0.019050 0.012712 0.013776 0.251140 0.011148 -0.071532 0Rh 5py -0.029168 0.051397 -0.081620 0.063951 0.078188 0.021831 0Rh 6pz -0.039533 0.349220 -0.265193 0.708522 -0.092502 -1.298523 0Rh 6px -0.387556 0.294899 -0.182867 -0.888908 -0.552261 0.925862 0Rh 6py 0.212260 -0.191072 -0.835128 0.907530 0.951375 -0.029477 0Rh 1dz2 0.006119 -0.008194 0.000588 -0.009607 0.021088 0.012035 0Rh 1dxz 0.001461 0.012527 0.001145 -0.001234 -0.003195 0.003523 0Rh 1dyz -0.006892 0.011471 -0.006447 -0.003231 -0.001391 0.002496 0Rh 1dx2y2 0.002164 -0.012953 0.018389 0.007175 -0.002057 -0.024131 0Rh 1dxy 0.002070 -0.006651 -0.013504 0.018713 0.010319 -0.028913 0Rh 2dz2 0.001277 -0.002981 0.000823 -0.001630 0.001246 0.002608 0Rh 2dxz -0.000400 0.000618 0.001461 0.000148 -0.001112 -0.001357 0Rh 2dyz -0.001183 -0.000330 0.000708 -0.001438 -0.004836 0.004632 0Rh 2dx2y2 0.000894 -0.000210 0.002002 0.000585 -0.000624 -0.000498 0Rh 2dxy 0.000412 -0.000635 -0.001839 0.003176 0.000782 -0.002823 0Rh 3dz2 -0.026053 0.040692 -0.005807 0.039247 -0.075443 -0.052031 0Rh 3dxz -0.002949 -0.044105 -0.010454 0.003434 0.015649 -0.005813 0Rh 3dyz 0.028036 -0.036191 0.017990 0.017379 0.026915 -0.029614 0Rh 3dx2y2 -0.011210 0.043721 -0.069711 -0.026361 0.009487 0.082914 0Rh 3dxy -0.008720 0.024929 0.053010 -0.076353 -0.037685 0.109251 0Rh 4dz2 0.031608 -0.060244 0.013760 -0.044772 0.059781 0.063595 0Rh 4dxz -0.004084 0.032902 0.023475 -0.000467 -0.022923 -0.008970 0Rh 4dyz -0.029809 0.016684 -0.003200 -0.030354 -0.071931 0.073196 0Rh 4dx2y2 0.016623 -0.027532 0.063496 0.022975 -0.009964 -0.061011 0Rh 4dxy 0.009380 -0.022314 -0.054502 0.083043 0.031307 -0.101177 0Rh 5dz2 -0.046108 0.088081 -0.020803 0.050478 0.017769 -0.023023 0Rh 5dxz 0.033208 0.044528 -0.057917 -0.018339 0.036534 0.053844 0Rh 5dyz 0.016939 0.052406 -0.014219 0.089469 0.073566 -0.127761 0Rh 5dx2y2 0.001003 -0.085386 0.034476 0.012194 -0.026227 -0.080840 0Rh 5dxy 0.012867 -0.022792 0.047721 -0.051985 -0.002112 -0.010114 0Rh 1f0 0.004456 0.018425 -0.001244 -0.009790 0.014249 -0.000474 0Rh 1f+1 -0.001416 -0.003086 0.011228 -0.004365 -0.002936 -0.018814 0Rh 1f-1 -0.005400 0.013081 0.015523 -0.009802 0.010341 -0.033746 0Rh 1f+2 -0.003667 -0.006653 -0.024106 0.014762 0.009065 -0.004991 0Rh 1f-2 0.001961 -0.002336 0.003540 -0.015504 0.031652 -0.022261 0Rh 1f+3 0.004528 -0.022056 0.017699 0.008444 -0.013219 -0.016215 0Rh 1f-3 0.001091 -0.007013 -0.000383 -0.005941 0.011041 -0.026128 1Rh 1s -0.000129 -0.001147 -0.000128 -0.000484 -0.000287 -0.000788 1Rh 2s 0.001772 0.007458 0.001328 0.000529 0.002691 0.005598 1Rh 3s 0.000309 -0.002300 0.000045 -0.002550 -0.000079 -0.001297 1Rh 4s -0.009245 -0.040222 -0.007096 -0.002801 -0.014482 -0.030203 1Rh 5s 0.018952 0.077152 0.015579 -0.010520 0.032044 0.059669 1Rh 6s -0.007587 -0.030198 -0.014522 0.083372 -0.032297 -0.029672 1Rh 7s -0.170986 -0.071267 0.022204 -0.776340 0.022051 0.189357 1Rh 8s 0.057280 0.169792 -0.035860 -0.002757 0.033224 0.127603 1Rh 1pz -0.000558 0.000472 -0.003868 -0.003812 0.000555 -0.001080 1Rh 1px 0.000371 0.000334 0.000276 0.004778 -0.000528 -0.001557 1Rh 1py -0.002951 -0.001520 -0.001518 -0.003825 0.000434 0.003675 1Rh 2pz 0.001723 -0.001972 0.014624 0.014446 -0.001852 0.004638 1Rh 2px -0.001408 -0.001426 -0.001132 -0.017340 0.002080 0.006026 1Rh 2py 0.011223 0.005564 0.006236 0.014996 -0.002137 -0.014065 1Rh 3pz 0.005472 0.007770 -0.026569 -0.026402 -0.002073 -0.020419 1Rh 3px 0.002656 0.005975 0.003925 0.014565 -0.005494 -0.014546 1Rh 3py -0.021524 -0.005937 -0.022379 -0.038958 0.014782 0.029264 1Rh 4pz -0.039666 -0.018953 -0.001193 -0.004362 0.024834 0.051613 1Rh 4px 0.000206 -0.013681 -0.008328 0.085722 0.006652 0.020350 1Rh 4py 0.002583 -0.020442 0.049844 0.051710 -0.048448 -0.016603 1Rh 5pz 0.077397 0.032063 0.019321 0.053244 -0.050524 -0.067984 1Rh 5px -0.009877 0.015402 0.021061 -0.248100 0.001013 -0.071225 1Rh 5py 0.014473 0.051188 -0.081528 -0.071987 0.075646 0.021697 1Rh 6pz 0.093026 0.346662 -0.239785 -0.680625 -0.133997 -1.261685 1Rh 6px 0.199499 0.256681 -0.250672 0.828101 -0.516439 0.939068 1Rh 6py -0.375079 -0.149713 -0.768070 -0.980640 0.906173 -0.030856 1Rh 1dz2 0.010164 0.007662 -0.001597 -0.007478 -0.022125 -0.010834 1Rh 1dxz 0.002534 -0.012562 -0.001760 -0.000827 0.003566 -0.004352 1Rh 1dyz -0.007075 -0.010984 0.007433 -0.003096 0.001653 -0.003447 1Rh 1dx2y2 -0.001484 0.013112 -0.018442 0.005351 0.002109 0.023786 1Rh 1dxy 0.002869 0.006331 0.012760 0.018544 -0.009517 0.029671 1Rh 2dz2 0.001680 0.002908 -0.000998 -0.001491 -0.001402 -0.002585 1Rh 2dxz -0.000519 -0.000567 -0.001392 0.000040 0.001169 0.001271 1Rh 2dyz -0.001083 0.000523 -0.000636 -0.001555 0.004883 -0.005392 1Rh 2dx2y2 0.000851 0.000148 -0.002188 0.000552 0.000636 0.000373 1Rh 2dxy 0.000630 0.000583 0.001618 0.003190 -0.000600 0.002768 1Rh 3dz2 -0.041233 -0.038608 0.009948 0.031582 0.079590 0.048014 1Rh 3dxz -0.005946 0.043984 0.012159 0.002580 -0.017134 0.008962 1Rh 3dyz 0.028183 0.033697 -0.021553 0.017475 -0.028007 0.036445 1Rh 3dx2y2 0.001008 -0.043964 0.070735 -0.020185 -0.009724 -0.081155 1Rh 3dxy -0.012370 -0.023638 -0.049539 -0.075853 0.034196 -0.111470 1Rh 4dz2 0.045656 0.058153 -0.018563 -0.038494 -0.064135 -0.062440 1Rh 4dxz -0.003806 -0.032115 -0.023497 -0.001255 0.024442 0.006099 1Rh 4dyz -0.028329 -0.012818 0.005904 -0.031606 0.073281 -0.090063 1Rh 4dx2y2 0.008871 0.026994 -0.066206 0.019012 0.010407 0.057744 1Rh 4dxy 0.014545 0.021001 0.049809 0.082999 -0.026967 0.100719 1Rh 5dz2 -0.046729 -0.086443 0.028233 0.053004 -0.016592 0.051873 1Rh 5dxz 0.049342 -0.047678 0.051302 -0.009402 -0.037075 -0.055081 1Rh 5dyz 0.003220 -0.059392 0.017787 0.086795 -0.076318 0.211715 1Rh 5dx2y2 -0.019385 0.086220 -0.032188 0.000400 0.024399 0.094344 1Rh 5dxy -0.001548 0.022347 -0.043250 -0.057294 -0.003683 0.036891 1Rh 1f0 -0.003160 0.018908 -0.000933 0.009129 0.014796 -0.001122 1Rh 1f+1 0.002884 -0.003406 0.010896 0.005364 -0.002903 -0.016533 1Rh 1f-1 0.010084 0.012668 0.013732 0.010733 0.010604 -0.034140 1Rh 1f+2 0.007946 -0.006971 -0.024452 -0.013360 0.008288 -0.006315 1Rh 1f-2 0.002024 -0.002645 0.003529 0.015569 0.031850 -0.015383 1Rh 1f+3 -0.005623 -0.021304 0.018040 -0.007334 -0.013560 -0.018682 1Rh 1f-3 0.003317 -0.006995 -0.001136 0.007191 0.011418 -0.026709 2C 1s -0.001277 -0.004274 0.001688 -0.006729 0.000586 0.005531 2C 2s -0.003906 -0.013088 0.004750 -0.020418 0.001527 0.014575 2C 3s -0.086702 0.065219 0.157648 -0.114623 0.053155 -0.041654 2C 4s 0.632050 0.469709 -1.103513 1.345125 -0.118228 -1.226873 2C 5s -0.089587 0.212624 -0.505075 -0.128856 -0.304368 -0.457028 2C 1pz -0.033544 0.036381 0.042330 -0.017997 0.007657 -0.009400 2C 1px -0.002787 -0.000318 0.024239 -0.032536 0.041542 -0.171806 2C 1py 0.020184 0.040986 0.018909 -0.002785 0.027563 -0.083807 2C 2pz 0.596304 0.482738 -0.604639 0.768781 0.043122 -0.898234 2C 2px -0.053198 -0.020816 -0.116027 0.366854 -0.170070 0.967040 2C 2py -0.221609 -0.244022 -0.448028 0.079497 -0.056823 -0.428745 2C 3pz 0.110683 0.082532 -0.219404 0.047168 -0.108586 -0.284120 2C 3px -0.122728 -0.062047 0.028325 0.093660 -0.002711 0.217510 2C 3py 0.014223 0.141972 -0.171354 0.136230 -0.052853 -0.018781 2C 1dz2 -0.042944 -0.027801 0.018560 -0.070542 0.032015 -0.091811 2C 1dxz -0.000662 0.032118 -0.041023 -0.000883 0.002022 -0.030659 2C 1dyz -0.024742 0.019247 0.078360 -0.086113 0.042406 -0.147348 2C 1dx2y2 0.029087 0.032071 -0.054971 -0.003420 0.036913 -0.253252 2C 1dxy -0.003638 0.077195 -0.009766 0.026172 -0.006393 0.004112 2C 2dz2 0.331835 0.241716 -0.161836 0.311733 0.034031 -0.341919 2C 2dxz -0.061468 0.123658 -0.075230 0.106405 -0.007202 0.023748 2C 2dyz 0.023378 -0.100421 -0.305308 0.307329 -0.099838 0.179747 2C 2dx2y2 -0.057696 -0.110580 0.143928 0.064289 -0.106273 0.822269 2C 2dxy 0.116055 0.040243 -0.063313 0.182014 -0.051021 0.254875 2C 1f0 0.021310 0.027359 -0.010610 0.029251 0.014691 0.026167 2C 1f+1 0.123279 0.067465 -0.095826 -0.060183 -0.034892 -0.031632 2C 1f-1 -0.083678 -0.086445 -0.052136 0.124513 0.028382 -0.043505 2C 1f+2 -0.364004 -0.307080 0.081095 -0.123106 0.061930 0.050516 2C 1f-2 -0.168333 -0.082430 0.043425 0.031981 -0.001959 0.035865 2C 1f+3 0.213793 0.194435 -0.033393 0.123692 -0.044624 0.101428 2C 1f-3 -0.434153 -0.287584 0.035891 0.027139 0.090223 -0.126132 3C 1s 0.002269 -0.002042 -0.007581 -0.009380 0.000125 -0.001407 3C 2s 0.007224 -0.006153 -0.022820 -0.028763 -0.000944 -0.004953 3C 3s -0.045938 -0.054331 0.097875 -0.073879 -0.052025 0.149085 3C 4s 0.006905 0.508881 0.839601 1.603912 -0.621224 -0.569778 3C 5s -0.706248 0.583994 0.430558 0.094261 -0.017697 0.915417 3C 1pz -0.015305 0.009827 0.037721 0.046817 0.033794 0.019885 3C 1px -0.009541 -0.029809 0.051183 -0.027900 -0.166727 -0.031034 3C 1py 0.008522 0.014728 -0.060158 0.004817 0.041340 -0.059159 3C 2pz 0.219618 0.091138 0.068309 -0.082672 -1.029455 -0.236304 3C 2px 0.112660 0.209414 -0.532037 0.127096 0.392995 0.136218 3C 2py -0.022298 -0.214761 -0.678643 -1.018293 0.367371 0.421777 3C 3pz -0.071573 0.132468 0.236425 0.148180 -0.073958 0.051154 3C 3px -0.074967 0.068453 0.007504 0.055498 0.110107 0.197054 3C 3py 0.201374 -0.191190 -0.166317 -0.192122 -0.009322 -0.126187 3C 1dz2 0.033992 -0.005419 -0.142697 -0.059877 0.122897 -0.018874 3C 1dxz 0.013057 0.002041 -0.027434 0.002524 0.199020 0.077140 3C 1dyz -0.021825 0.057251 0.012719 0.118922 0.123370 -0.016471 3C 1dx2y2 -0.006949 -0.002923 0.075712 0.058446 0.121377 -0.000810 3C 1dxy 0.006730 0.022649 -0.112280 -0.009718 0.060552 0.007355 3C 2dz2 0.063815 -0.057745 -0.025861 -0.331343 -0.447121 0.042295 3C 2dxz 0.003626 0.055248 0.207371 0.130601 -0.479038 -0.096120 3C 2dyz -0.044681 -0.102179 0.031170 -0.295683 -0.082065 0.210329 3C 2dx2y2 -0.017379 -0.015341 -0.416491 -0.261216 0.382863 0.163798 3C 2dxy -0.074235 -0.143157 0.168449 -0.155403 -0.174064 -0.114373 3C 1f0 0.019303 0.031117 -0.090964 -0.168272 -0.120763 0.028828 3C 1f+1 -0.047156 -0.161688 0.061130 -0.023190 -0.092388 -0.053740 3C 1f-1 0.029123 -0.036455 -0.080404 -0.118088 0.038816 0.011282 3C 1f+2 0.013659 0.038592 0.012637 -0.022961 0.060836 0.042378 3C 1f-2 0.007120 -0.142319 -0.192175 -0.234070 -0.107487 -0.056779 3C 1f+3 0.034375 -0.011194 -0.101696 -0.025181 -0.127472 -0.052223 3C 1f-3 -0.028485 -0.073087 -0.032229 -0.030092 0.047823 0.006261 4C 1s -0.000330 0.000648 0.002746 0.001676 0.000488 0.000825 4C 2s -0.000869 0.002787 0.007336 0.005856 0.001690 0.001487 4C 3s 0.073139 -0.170037 -0.042420 0.114815 -0.138658 0.458934 4C 4s -0.453776 0.342206 0.371130 -0.694458 0.429959 -1.358847 4C 5s 0.204219 -0.286825 -0.225349 -0.209450 0.372582 -0.069086 4C 1pz 0.067264 0.032476 0.023354 0.014003 -0.015518 0.095915 4C 1px -0.079217 -0.048588 -0.024215 0.030162 0.016825 0.126942 4C 1py -0.097424 -0.098200 0.021524 -0.046145 -0.006951 0.092571 4C 2pz -0.016228 0.002149 -0.804879 0.632474 0.128164 -1.324852 4C 2px 0.400182 0.405562 -0.111535 0.080193 -0.344390 0.188273 4C 2py 0.673156 0.616201 -0.580790 0.635937 -0.057204 -0.536718 4C 3pz 0.060200 0.307353 -0.600998 -0.043184 0.023145 -0.769078 4C 3px 0.647955 0.332252 -0.141415 -0.041972 -0.255167 -0.274983 4C 3py 0.200369 0.095179 -0.308647 -0.143068 -0.125924 -0.653661 4C 1dz2 -0.204587 -0.183335 -0.074288 -0.093388 -0.002020 -0.031437 4C 1dxz 0.094693 0.007606 -0.028020 0.010376 0.007878 -0.196200 4C 1dyz 0.139908 0.161725 -0.015916 0.190795 -0.019216 0.045643 4C 1dx2y2 -0.112446 -0.165241 0.086783 -0.082188 -0.057745 0.163300 4C 1dxy -0.001689 -0.120264 0.028598 -0.115895 -0.002378 -0.104148 4C 2dz2 0.034316 -0.344201 0.329388 -0.177354 0.081919 0.368612 4C 2dxz -0.052865 0.023235 0.229222 0.062220 -0.405452 1.941293 4C 2dyz -0.139433 -0.268312 0.216520 -0.488029 -0.038581 0.426294 4C 2dx2y2 0.249269 0.783309 -0.304727 0.363466 0.269815 -1.281715 4C 2dxy -0.223367 0.097268 -0.157358 -0.109516 -0.107875 0.291102 4C 1f0 -0.188373 -0.254056 0.003707 -0.117301 0.006854 0.050230 4C 1f+1 0.116985 0.071299 0.068694 0.027428 -0.063145 0.261363 4C 1f-1 0.005290 0.036055 -0.065424 0.173988 -0.024866 0.101583 4C 1f+2 -0.191711 -0.067981 -0.005124 -0.086699 0.043073 -0.133198 4C 1f-2 -0.067329 -0.091628 -0.002095 -0.057294 -0.030458 -0.172231 4C 1f+3 0.038182 -0.043817 -0.100751 -0.088706 0.012502 -0.062518 4C 1f-3 -0.206852 -0.213304 0.084579 0.005279 0.009596 0.127410 5C 1s 0.001305 -0.001401 0.000842 0.001263 0.000135 0.000844 5C 2s 0.003261 -0.003381 0.003897 0.004964 0.000101 0.003235 5C 3s 0.015932 -0.015726 -0.270394 0.055806 0.447346 -0.172554 5C 4s -0.177779 0.063181 0.534560 -0.627942 -1.292524 0.935984 5C 5s 0.091985 0.093505 -0.475757 -0.369807 -0.263516 -0.398799 5C 1pz 0.008463 -0.006573 -0.067296 -0.075995 0.018993 0.006177 5C 1px -0.004914 -0.046666 -0.074372 -0.022105 0.036434 0.037698 5C 1py 0.026199 -0.013123 0.009457 -0.037782 -0.132942 -0.004669 5C 2pz 0.013062 0.153945 0.527173 0.652350 -0.543013 -0.259017 5C 2px 0.111333 0.634518 0.112934 0.602234 0.533895 0.089580 5C 2py -0.137338 -0.236215 -0.485238 -0.628957 1.152005 0.353701 5C 3pz -0.460100 0.260822 0.134642 0.000638 -0.269321 0.452049 5C 3px -0.218923 0.311267 0.420774 0.184802 0.233880 -0.026127 5C 3py 0.686264 -0.590416 -0.593387 -0.192169 0.430259 -0.706578 5C 1dz2 -0.073465 0.031420 0.293069 0.285235 0.118861 0.043264 5C 1dxz -0.029543 0.027433 0.118574 0.045708 -0.162718 -0.072299 5C 1dyz 0.005640 -0.020524 -0.058378 -0.157748 -0.102282 -0.031769 5C 1dx2y2 -0.018872 -0.043737 0.050999 -0.000800 0.129813 -0.017452 5C 1dxy 0.003125 0.015252 -0.192564 -0.129784 0.004195 0.081107 5C 2dz2 0.084475 -0.164716 -0.253474 -0.282425 0.096776 -0.227206 5C 2dxz 0.153611 0.060021 -1.187127 -0.509915 1.030231 0.219095 5C 2dyz 0.024368 0.169969 0.151720 0.669299 0.413950 0.100024 5C 2dx2y2 0.037816 0.400994 0.535227 0.541412 -0.935416 0.305913 5C 2dxy -0.007700 -0.221231 0.575771 0.069663 -1.477202 -0.483152 5C 1f0 -0.005822 -0.052019 0.066752 -0.022972 0.183138 0.041228 5C 1f+1 -0.021807 -0.109033 -0.161789 -0.079988 -0.036628 -0.046813 5C 1f-1 0.061241 -0.029534 -0.182019 -0.224019 -0.202016 -0.004143 5C 1f+2 0.037583 0.007101 -0.071966 -0.094528 -0.099248 -0.012211 5C 1f-2 0.004511 -0.069454 0.069339 -0.070799 -0.109068 0.016634 5C 1f+3 -0.000265 -0.033072 0.126889 0.132403 0.291482 0.005509 5C 1f-3 -0.044609 0.004717 0.271031 0.136009 -0.121938 0.001634 6C 1s 0.001896 0.001246 -0.001026 0.001397 -0.000144 -0.001201 6C 2s 0.004891 0.002976 -0.004328 0.005355 -0.000070 -0.004350 6C 3s -0.012041 0.015740 0.254418 0.060554 -0.435309 0.135407 6C 4s 0.016379 -0.049351 -0.448564 -0.603102 1.230344 -0.859201 6C 5s 0.158710 -0.102397 0.440713 -0.364925 0.256139 0.307842 6C 1pz -0.018923 -0.006520 -0.068215 0.073967 0.022072 0.009650 6C 1px -0.008929 -0.048105 -0.078509 0.018341 0.037524 0.049209 6C 1py -0.020806 -0.012076 0.011702 0.044602 -0.129983 -0.017564 6C 2pz 0.165717 0.155923 0.552084 -0.594067 -0.570469 -0.333586 6C 2px -0.058597 0.654597 0.163644 -0.639398 0.498771 0.109932 6C 2py -0.104653 -0.239375 -0.519098 0.528292 1.176684 0.490794 6C 3pz 0.509457 0.223009 0.053453 0.002717 -0.281100 0.484062 6C 3px 0.309059 0.298256 0.394323 -0.180461 0.217401 -0.042251 6C 3py -0.800180 -0.533072 -0.474520 0.183960 0.452048 -0.745886 6C 1dz2 -0.096187 -0.027764 -0.288698 0.289913 -0.104490 -0.050768 6C 1dxz -0.051427 -0.026454 -0.113676 0.033365 0.161977 0.094174 6C 1dyz 0.010453 0.021544 0.062224 -0.163608 0.095366 0.036235 6C 1dx2y2 -0.020249 0.044621 -0.051258 0.002387 -0.129790 0.015028 6C 1dxy 0.045601 -0.015432 0.197066 -0.116670 -0.011430 -0.092758 6C 2dz2 0.059068 0.161901 0.240626 -0.300162 -0.107512 0.212091 6C 2dxz 0.329323 -0.071762 1.161581 -0.425569 -1.043275 -0.385358 6C 2dyz -0.000931 -0.178015 -0.173839 0.691421 -0.379961 -0.114923 6C 2dx2y2 -0.008937 -0.410558 -0.533830 0.518866 0.946969 -0.175295 6C 2dxy -0.147975 0.225885 -0.565516 -0.043343 1.464140 0.671333 6C 1f0 -0.003653 -0.053415 0.067948 0.014012 0.179654 0.063296 6C 1f+1 -0.004771 -0.113308 -0.170905 0.081402 -0.032997 -0.039797 6C 1f-1 -0.087904 -0.027394 -0.180199 0.228529 -0.189103 -0.015614 6C 1f+2 -0.056969 0.012809 -0.065407 0.092560 -0.092155 -0.026850 6C 1f-2 0.000322 -0.072881 0.062136 0.079109 -0.104988 0.000828 6C 1f+3 0.026929 -0.034279 0.130525 -0.135303 0.279584 0.028790 6C 1f-3 0.078248 0.000702 0.262585 -0.123200 -0.129355 -0.029864 7C 1s -0.000681 -0.000583 -0.002810 0.001639 -0.000376 -0.000488 7C 2s -0.002032 -0.002556 -0.007515 0.005700 -0.001330 -0.000419 7C 3s 0.080088 0.155021 0.030945 0.112283 0.139564 -0.424897 7C 4s -0.487974 -0.270964 -0.284152 -0.689226 -0.448408 1.296352 7C 5s 0.285783 0.254016 0.187252 -0.170289 -0.382934 0.160323 7C 1pz -0.053434 0.038473 0.031142 -0.010695 -0.015755 0.083927 7C 1px 0.067136 -0.051433 -0.035434 -0.034073 0.014565 0.119179 7C 1py 0.085344 -0.108829 0.007550 0.042984 -0.005932 0.086398 7C 2pz -0.087789 0.007693 -0.778586 -0.649953 0.107936 -1.180393 7C 2px -0.363321 0.412355 -0.055917 -0.063929 -0.331119 0.137360 7C 2py -0.666607 0.696159 -0.477524 -0.630123 -0.072738 -0.501292 7C 3pz -0.048270 0.288649 -0.629022 0.055492 0.059583 -0.815142 7C 3px -0.562232 0.365174 -0.060333 0.077015 -0.247713 -0.255588 7C 3py -0.161906 0.088594 -0.309017 0.170134 -0.095953 -0.681618 7C 1dz2 -0.140667 0.204414 0.099665 -0.080882 -0.001486 0.029007 7C 1dxz 0.082450 -0.011034 0.013870 0.006030 -0.007923 0.180649 7C 1dyz 0.102841 -0.175391 -0.004732 0.182644 0.025595 -0.044399 7C 1dx2y2 -0.099115 0.174168 -0.070245 -0.080125 0.054998 -0.149914 7C 1dxy 0.015377 0.121665 -0.029501 -0.115878 0.001051 0.087470 7C 2dz2 -0.033815 0.330967 -0.326618 -0.187177 -0.082431 -0.322467 7C 2dxz -0.103557 -0.019346 -0.208915 0.054991 0.391893 -1.715421 7C 2dyz -0.133187 0.279758 -0.185225 -0.485469 0.020154 -0.359060 7C 2dx2y2 0.174579 -0.791498 0.268015 0.355518 -0.259505 1.139130 7C 2dxy -0.137275 -0.070489 0.190899 -0.088819 0.097032 -0.244532 7C 1f0 0.124533 -0.269253 -0.018875 0.104245 0.008041 0.043161 7C 1f+1 -0.088156 0.086613 0.081517 -0.019800 -0.062594 0.228455 7C 1f-1 0.017892 0.032973 -0.064229 -0.166542 -0.028883 0.092158 7C 1f+2 0.181092 -0.089704 -0.032811 0.082839 0.044986 -0.105990 7C 1f-2 0.062851 -0.110417 -0.010131 0.058722 -0.026086 -0.159534 7C 1f+3 -0.094569 -0.029004 -0.094638 0.079887 0.011985 -0.048017 7C 1f-3 0.207086 -0.235479 0.056169 -0.006527 0.009593 0.116282 8C 1s 0.003522 0.001926 0.007270 -0.009160 -0.000538 0.001162 8C 2s 0.010726 0.005786 0.021797 -0.028226 -0.000311 0.004431 8C 3s 0.002078 0.056229 -0.079855 -0.063727 0.042981 -0.139973 8C 4s -0.394274 -0.510897 -0.892424 1.493143 0.707637 0.679311 8C 5s -0.819886 -0.521977 -0.294161 0.103036 0.032787 -0.941776 8C 1pz 0.011568 0.009713 0.034827 -0.049858 0.031835 0.018563 8C 1px 0.008970 -0.030211 0.048662 0.035055 -0.162708 -0.048982 8C 1py 0.003474 0.014930 -0.054828 -0.003276 0.038656 -0.052659 8C 2pz -0.108298 0.101993 0.095499 0.155665 -1.017075 -0.358700 8C 2px -0.151904 0.217145 -0.509943 -0.163944 0.391273 0.198564 8C 2py -0.212843 -0.219797 -0.720658 0.952507 0.421670 0.516474 8C 3pz 0.124724 0.123982 0.225095 -0.138645 -0.079385 0.043365 8C 3px 0.084505 0.059351 -0.007569 -0.062120 0.105125 0.230003 8C 3py -0.268597 -0.175865 -0.134353 0.184639 0.005004 -0.123470 8C 1dz2 0.045461 0.001305 0.133164 -0.050700 -0.126729 0.001390 8C 1dxz 0.019826 -0.002340 0.023504 0.012532 -0.194884 -0.097133 8C 1dyz -0.043254 -0.055881 -0.010159 0.118480 -0.115473 0.003749 8C 1dx2y2 -0.028363 0.004216 -0.079280 0.058074 -0.112651 -0.014080 8C 1dxy 0.015375 -0.022183 0.108044 -0.004640 -0.061311 -0.024301 8C 2dz2 0.081538 0.058537 0.030280 -0.349936 0.430702 -0.002431 8C 2dxz -0.037814 -0.058127 -0.209706 0.108874 0.477793 0.157535 8C 2dyz 0.035186 0.105318 -0.015160 -0.274622 0.065546 -0.208140 8C 2dx2y2 0.079265 0.015906 0.429757 -0.223193 -0.395621 -0.224827 8C 2dxy -0.078041 0.147093 -0.151090 -0.169167 0.162955 0.143595 8C 1f0 -0.037450 0.031088 -0.091927 0.168056 -0.111267 0.013541 8C 1f+1 0.057057 -0.174092 0.042193 0.038352 -0.093132 -0.061890 8C 1f-1 -0.041741 -0.038766 -0.079330 0.115891 0.041754 0.016291 8C 1f+2 -0.017444 0.044182 0.018870 0.014603 0.062990 0.044753 8C 1f-2 -0.040153 -0.146070 -0.201999 0.237493 -0.095570 -0.053269 8C 1f+3 -0.037210 -0.009250 -0.100622 0.031615 -0.124730 -0.062418 8C 1f-3 0.010384 -0.079199 -0.042965 0.028989 0.046696 0.013413 9C 1s -0.000200 0.004136 -0.001511 -0.006313 -0.000693 -0.005297 9C 2s -0.000570 0.012625 -0.004223 -0.019168 -0.001873 -0.014076 9C 3s -0.109730 -0.049592 -0.141114 -0.118172 -0.054424 0.032171 9C 4s 0.654545 -0.533506 0.985040 1.330163 0.146061 1.125453 9C 5s -0.122314 -0.176308 0.565786 -0.159034 0.264728 0.490786 9C 1pz 0.041011 0.029232 0.036454 0.019625 0.007740 -0.005529 9C 1px 0.002940 -0.000386 0.024691 0.031184 0.040999 -0.153098 9C 1py -0.012558 0.041879 0.022056 0.004499 0.026934 -0.073989 9C 2pz -0.573161 0.551849 -0.502063 -0.761091 0.021114 -0.788501 9C 2px 0.034062 -0.013937 -0.116205 -0.375111 -0.177572 0.867087 9C 2py 0.054046 -0.258583 -0.461897 -0.113560 -0.063487 -0.360727 9C 3pz -0.096730 0.082828 -0.213543 -0.031642 -0.099688 -0.279278 9C 3px 0.118535 -0.072482 0.011193 -0.093885 -0.001970 0.184911 9C 3py -0.000855 0.137293 -0.174938 -0.131965 -0.051671 -0.027102 9C 1dz2 -0.023108 0.034314 -0.015139 -0.063682 -0.033266 0.073522 9C 1dxz 0.000391 -0.027500 0.042212 -0.002785 -0.000965 0.017776 9C 1dyz -0.029596 -0.019279 -0.073091 -0.085521 -0.043216 0.128710 9C 1dx2y2 0.033770 -0.029597 0.049628 -0.004014 -0.036108 0.226143 9C 1dxy -0.016072 -0.073833 0.012715 0.021809 0.005392 0.001542 9C 2dz2 0.281212 -0.278244 0.110434 0.297750 -0.023050 0.304251 9C 2dxz -0.044129 -0.122650 0.080629 0.111150 0.007486 -0.010834 9C 2dyz 0.078669 0.094547 0.290519 0.315677 0.108828 -0.166214 9C 2dx2y2 -0.086602 0.113028 -0.132993 0.055119 0.106289 -0.730804 9C 2dxy 0.103858 -0.052922 0.044436 0.183776 0.055551 -0.240281 9C 1f0 -0.014847 0.031825 -0.007152 -0.029098 0.013324 0.024421 9C 1f+1 -0.163561 0.090257 -0.078004 0.054715 -0.034394 -0.024726 9C 1f-1 0.071019 -0.095951 -0.059409 -0.125716 0.023103 -0.039412 9C 1f+2 0.334002 -0.342468 0.030347 0.115052 0.064521 0.049048 9C 1f-2 0.197619 -0.117237 0.019373 -0.027570 0.002175 0.029836 9C 1f+3 -0.204554 0.234180 -0.004119 -0.117259 -0.051465 0.089952 9C 1f-3 0.428965 -0.336064 -0.021558 -0.032121 0.088464 -0.105053 10H 1s -0.016950 0.000213 0.006632 -0.020227 0.040012 -0.140777 10H 2s 0.107115 0.207911 -0.024537 -0.207517 0.113469 -0.626467 10H 3s 0.045939 0.004826 -0.060022 0.033839 0.027591 -0.092462 10H 1pz 0.165772 0.122593 -0.046003 -0.083933 0.001526 -0.180212 10H 1px 0.053439 -0.015084 -0.020122 0.061958 -0.019846 -0.004159 10H 1py -0.176859 -0.077070 0.038894 -0.003184 0.045999 -0.091895 11H 1s 0.000962 -0.061199 -0.051028 0.009458 -0.018594 0.035357 11H 2s 0.202121 0.127661 0.099874 0.133952 0.016793 0.366719 11H 3s 0.000109 -0.058198 0.003882 -0.007417 0.002114 -0.100316 11H 1pz -0.016923 0.025961 0.060965 0.093777 0.040762 0.035706 11H 1px 0.218773 0.170444 0.014610 0.038259 -0.044793 0.199513 11H 1py 0.179563 0.160855 -0.049813 0.141058 -0.046606 0.082713 12H 1s 0.016143 0.047794 -0.009268 0.066214 -0.030946 0.164704 12H 2s -0.324094 -0.360631 0.052294 -0.284842 0.013410 0.219677 12H 3s 0.111346 0.156079 -0.004552 0.173975 -0.003135 0.062889 12H 1pz -0.091278 -0.079516 -0.027958 0.006982 -0.018425 0.112353 12H 1px -0.287084 -0.271009 0.031720 -0.075233 0.031700 0.060478 12H 1py -0.034199 -0.061203 0.006098 -0.150027 0.021918 -0.035684 13H 1s -0.000167 -0.011413 -0.006461 -0.022439 -0.162475 -0.020384 13H 2s 0.071465 -0.049770 0.371556 -0.095312 -0.537221 -0.058530 13H 3s 0.008516 0.006491 -0.001101 0.065870 -0.089307 -0.119260 13H 1pz 0.011920 -0.082403 0.119092 -0.046400 -0.111502 -0.002915 13H 1px -0.022956 -0.031649 0.001776 0.029453 0.002444 -0.034967 13H 1py -0.026035 -0.051441 -0.077809 0.006292 0.131964 0.025785 14H 1s 0.008928 0.010439 0.056059 0.055969 0.163643 0.036561 14H 2s 0.148647 -0.045162 -0.531468 -0.497093 -0.217781 0.062103 14H 3s 0.013599 0.003903 0.206126 0.192991 0.125746 -0.035629 14H 1pz 0.048879 0.053895 -0.073230 -0.098220 -0.142533 0.039278 14H 1px 0.051636 -0.065093 -0.231628 -0.233957 -0.137134 -0.028958 14H 1py -0.024329 -0.008030 0.136442 0.055691 -0.058480 -0.026189 15H 1s -0.008778 0.029529 -0.069825 0.023682 0.051695 -0.040952 15H 2s -0.042249 -0.059292 0.039203 0.165827 0.361016 -0.018185 15H 3s 0.001715 0.002316 -0.029625 0.012271 -0.068057 -0.043670 15H 1pz -0.051164 0.035392 0.103073 0.166824 0.046413 -0.001053 15H 1px -0.011686 0.083333 0.101313 0.149207 0.231676 0.064799 15H 1py 0.053310 0.052446 -0.094943 -0.121644 -0.100334 0.000823 16H 1s -0.006455 0.015912 -0.035894 0.019444 0.029684 -0.016804 16H 2s -0.064931 -0.004134 0.058901 -0.374432 -0.147755 0.410481 16H 3s -0.020204 0.031753 -0.007632 0.083899 0.022531 -0.110984 16H 1pz -0.029783 0.002343 -0.006394 -0.124664 -0.032520 0.152219 16H 1px 0.004746 0.014982 -0.013407 -0.008335 0.009045 0.006108 16H 1py -0.000856 -0.004996 0.003065 -0.021084 -0.011969 0.030354 17H 1s -0.003179 0.003810 -0.030482 0.016282 0.038361 0.022316 17H 2s -0.119409 0.077544 -0.014146 -0.325092 -0.128770 0.246841 17H 3s 0.034849 -0.009377 0.009227 0.053081 0.030954 -0.002863 17H 1pz 0.036797 -0.031051 0.023164 0.085159 0.015485 -0.076882 17H 1px 0.026597 -0.010890 0.014166 0.062823 0.014401 -0.058145 17H 1py -0.020907 0.010971 -0.017234 -0.027353 0.005711 0.029907 18H 1s 0.003788 -0.004893 0.029842 0.019631 -0.036889 -0.016979 18H 2s -0.083123 -0.060492 0.038478 -0.312824 0.109571 -0.262617 18H 3s 0.025584 0.006667 -0.016118 0.049793 -0.028908 0.005159 18H 1pz -0.021349 -0.027011 0.030136 -0.080338 0.011624 -0.079503 18H 1px -0.016965 -0.007197 0.018850 -0.059732 0.010681 -0.061599 18H 1py 0.013619 0.008330 -0.020226 0.021822 0.007921 0.029830 19H 1s 0.001411 -0.016333 0.034980 0.023037 -0.027454 0.013212 19H 2s -0.023787 0.015988 -0.039610 -0.364305 0.122086 -0.394519 19H 3s -0.028532 -0.030555 0.009424 0.081386 -0.020045 0.108642 19H 1pz 0.007446 -0.001747 -0.013342 0.117299 -0.023806 0.146270 19H 1px -0.007291 0.015603 -0.012385 0.005999 0.008603 0.005810 19H 1py -0.002804 -0.005427 0.002569 0.023695 -0.011004 0.032536 20H 1s -0.017767 -0.028717 0.069754 0.023105 -0.048257 0.036112 20H 2s -0.012529 0.057187 -0.041504 0.187165 -0.351635 -0.011618 20H 3s -0.006707 -0.003236 0.029159 0.005226 0.069403 0.053005 20H 1pz 0.072673 0.033005 0.096805 -0.165031 0.039252 0.002729 20H 1px 0.023941 0.086381 0.107562 -0.160038 0.223438 0.081699 20H 1py -0.045168 0.055862 -0.088526 0.126546 -0.093828 -0.007608 21H 1s -0.002685 -0.010317 -0.058361 0.059337 -0.158308 -0.051754 21H 2s 0.246922 0.037904 0.522952 -0.484977 0.182211 -0.063941 21H 3s -0.020096 -0.004466 -0.214400 0.189313 -0.113760 0.027170 21H 1pz -0.074494 0.060273 -0.065935 0.094053 -0.132345 0.027492 21H 1px -0.089927 -0.064696 -0.233312 0.234239 -0.121058 -0.036513 21H 1py 0.037546 -0.008461 0.135960 -0.050832 -0.060303 -0.042012 22H 1s 0.006388 0.011082 0.006006 -0.026134 0.158140 0.033646 22H 2s 0.034386 0.044309 -0.378364 -0.126255 0.531507 0.143345 22H 3s 0.001046 -0.008022 -0.004304 0.059703 0.089386 0.128229 22H 1pz -0.003777 -0.085758 0.113834 0.057226 -0.109675 -0.021670 22H 1px 0.030944 -0.034719 -0.002588 -0.025657 0.001005 -0.027309 22H 1py 0.008309 -0.056073 -0.085449 -0.013467 0.131470 0.049802 23H 1s -0.000254 -0.048560 0.009308 0.061946 0.032356 -0.147796 23H 2s -0.211831 0.384978 -0.016238 -0.257106 -0.012462 -0.217844 23H 3s 0.069160 -0.163695 -0.011700 0.165658 0.007258 -0.055468 23H 1pz 0.069615 -0.088003 -0.039650 -0.010735 -0.018416 0.097094 23H 1px 0.260208 -0.303930 -0.005761 0.066811 0.032708 0.062510 23H 1py -0.012756 -0.061999 0.004272 0.137784 0.021840 -0.020915 24H 1s 0.013999 0.060920 0.049785 0.010367 0.017760 -0.030674 24H 2s 0.148177 -0.151858 -0.128863 0.131093 -0.010203 -0.342012 24H 3s 0.014187 0.060312 -0.006936 -0.008919 -0.002371 0.092630 24H 1pz 0.052480 0.019191 0.059301 -0.089960 0.037850 0.032917 24H 1px -0.197031 0.196535 0.043612 -0.034279 -0.045926 0.181398 24H 1py -0.155422 0.179855 -0.025443 -0.132466 -0.050351 0.071330 25H 1s -0.009006 -0.001180 -0.005590 -0.016146 -0.039568 0.126660 25H 2s 0.105907 -0.214270 0.012016 -0.205483 -0.117146 0.546368 25H 3s 0.055200 -0.010395 0.049525 0.036420 -0.024455 0.081408 25H 1pz -0.174052 0.142352 -0.024142 0.083774 0.003329 -0.157374 25H 1px -0.054631 -0.005887 -0.011832 -0.059544 -0.021347 -0.014160 25H 1py 0.191011 -0.102295 0.014219 0.004187 0.046035 -0.079600 26O 1s 0.017101 -0.008150 0.021217 -0.019851 -0.018556 0.006808 26O 2s 0.058364 -0.031111 0.073234 -0.068914 -0.064877 0.029266 26O 3s -0.407076 0.325171 -0.572194 0.518272 0.498044 -0.367603 26O 4s 0.673618 -1.096838 1.209306 -1.035347 -0.947161 1.313637 26O 5s -1.221739 -0.079224 -0.394212 1.014104 1.070379 -0.459203 26O 1pz 0.029778 -0.009148 -0.088675 0.061367 -0.048899 0.256856 26O 1px 0.017335 0.102023 0.036714 0.063509 0.089986 -0.311224 26O 1py 0.061751 0.001145 -0.104073 -0.038431 0.020078 0.037839 26O 2pz -0.019610 0.060887 0.128794 -0.143255 0.120122 -0.711852 26O 2px 0.076136 0.141080 -0.223717 -0.156519 -0.192516 0.260204 26O 2py -0.065289 0.198011 0.168145 0.110388 -0.029179 -0.322755 26O 3pz 0.098239 0.044006 -0.257956 0.338381 0.170606 -0.196650 26O 3px 0.297686 0.093815 -0.108969 0.331359 -0.018633 -0.346535 26O 3py 0.216042 0.194290 -0.232118 0.261894 0.067050 -0.266165 26O 1dz2 -0.007714 -0.003416 -0.000435 0.002609 0.000529 0.007477 26O 1dxz 0.001592 -0.007923 0.001022 -0.000135 0.000172 0.005443 26O 1dyz -0.002979 -0.000022 -0.003750 0.005825 0.002912 -0.000869 26O 1dx2y2 0.008557 0.007356 0.000959 -0.005053 0.002442 -0.019524 26O 1dxy -0.000613 0.000932 0.006200 0.000533 -0.003922 -0.008074 26O 2dz2 -0.020927 -0.021889 -0.012910 0.003749 -0.034097 0.049739 26O 2dxz 0.018308 -0.038258 0.010412 0.049403 -0.073003 0.230948 26O 2dyz -0.021951 0.000995 -0.024421 0.043234 -0.039602 0.157754 26O 2dx2y2 -0.085119 0.059141 0.073247 0.097532 0.084922 -0.136543 26O 2dxy -0.003822 -0.078975 -0.048550 -0.074825 -0.006456 0.026234 26O 1f0 -0.027360 -0.019781 0.007033 -0.010515 0.002272 0.008473 26O 1f+1 -0.007010 -0.011371 -0.000281 0.005764 -0.002402 0.019429 26O 1f-1 -0.010111 -0.003818 -0.000556 0.001936 0.002371 0.008177 26O 1f+2 0.016341 0.000130 -0.003736 0.005970 -0.006417 -0.024294 26O 1f-2 -0.003358 0.001646 -0.007754 -0.003272 -0.002668 -0.002325 26O 1f+3 0.016838 -0.003013 -0.012582 -0.005557 0.003165 -0.007219 26O 1f-3 -0.011456 -0.020735 0.009210 0.001655 -0.007038 0.048515 27O 1s 0.004069 -0.002465 -0.011105 0.002492 0.025989 -0.000194 27O 2s 0.013652 -0.009072 -0.041559 0.008472 0.094136 -0.001289 27O 3s -0.097096 0.111559 0.394744 -0.037503 -0.817355 0.040568 27O 4s 0.155993 -0.462407 -1.159855 -0.214532 2.006983 -0.290205 27O 5s 0.012832 -0.606889 0.477769 -0.606748 -1.738078 -0.541751 27O 1pz 0.042487 0.086753 -0.206061 -0.095761 0.121383 -0.014894 27O 1px 0.006813 -0.012157 0.135280 -0.078322 -0.275859 -0.061218 27O 1py -0.009171 -0.027689 0.026553 0.019720 -0.215234 0.026144 27O 2pz -0.105008 -0.206148 0.529764 0.230833 -0.251360 0.018489 27O 2px -0.011158 0.269904 0.020689 0.313045 0.266957 0.339013 27O 2py 0.014686 -0.011422 -0.113940 -0.052917 0.642851 -0.079878 27O 3pz 0.039908 0.029837 0.203370 -0.080227 -0.212631 -0.158953 27O 3px -0.003409 0.317707 0.166451 0.171831 -0.020507 -0.229297 27O 3py -0.051229 -0.051040 -0.163636 -0.037381 0.231825 0.377398 27O 1dz2 -0.003123 0.001730 -0.007004 0.005608 0.006222 -0.000150 27O 1dxz 0.000308 -0.003749 -0.004072 -0.004104 0.013044 0.000143 27O 1dyz 0.001777 0.001125 -0.005972 -0.004741 0.003427 0.000717 27O 1dx2y2 -0.000184 0.000938 0.009417 -0.000544 -0.008132 -0.000755 27O 1dxy 0.000168 -0.000633 0.008843 0.005585 -0.000614 0.007460 27O 2dz2 -0.000887 0.027460 0.010892 0.013064 0.060415 0.023853 27O 2dxz 0.049123 0.086098 -0.286765 -0.105575 0.067527 -0.030378 27O 2dyz -0.013095 -0.021858 0.038086 -0.006149 0.005743 -0.006249 27O 2dx2y2 -0.004573 -0.036478 0.003019 -0.043621 -0.170088 -0.010297 27O 2dxy 0.009156 0.011190 -0.037630 -0.083001 -0.300918 0.036335 27O 1f0 0.000538 -0.003109 -0.000838 0.000368 0.015639 0.007889 27O 1f+1 0.006874 -0.005922 -0.024119 -0.014808 0.031001 -0.001116 27O 1f-1 0.002348 -0.002150 -0.004958 -0.005706 -0.011332 -0.000166 27O 1f+2 -0.000941 0.007168 -0.001711 0.007535 -0.002940 -0.019548 27O 1f-2 -0.002759 -0.001967 0.007050 0.005752 -0.000457 -0.011238 27O 1f+3 -0.003325 -0.008565 0.003341 0.012566 0.023367 -0.006300 27O 1f-3 0.004358 0.008477 0.029195 0.013813 -0.005524 -0.007244 28O 1s -0.021683 -0.009563 0.007166 0.013506 0.006998 0.020279 28O 2s -0.072598 -0.033122 0.024732 0.048287 0.022579 0.076041 28O 3s 0.499078 0.262172 -0.213992 -0.388596 -0.114171 -0.778882 28O 4s -0.844467 -0.651945 0.556199 0.778755 -0.145661 2.796713 28O 5s 0.943428 0.632783 0.067253 -0.943368 -0.503849 -0.018589 28O 1pz -0.136872 -0.195407 -0.040342 -0.140382 -0.028599 0.056055 28O 1px 0.023925 -0.135551 -0.006496 -0.006213 -0.011159 0.013834 28O 1py 0.155793 0.058541 -0.057446 0.024512 -0.038173 0.100063 28O 2pz 0.224328 0.494162 -0.033600 0.269789 0.202471 -0.701240 28O 2px 0.067615 0.291238 0.108911 0.074258 -0.161432 0.670691 28O 2py -0.394611 -0.153959 0.088510 -0.070801 0.100740 -0.357143 28O 3pz -0.260271 -0.060825 -0.348113 -0.170409 0.191987 -0.332016 28O 3px 0.139557 0.024764 0.205376 -0.219413 -0.104818 0.123455 28O 3py 0.034150 0.114830 -0.195784 -0.027835 0.008442 -0.155888 28O 1dz2 0.006027 0.002585 -0.000676 -0.005304 -0.001955 0.005641 28O 1dxz 0.009208 -0.000854 0.001077 0.000364 -0.000324 -0.011246 28O 1dyz 0.001439 -0.002419 0.000700 -0.007805 0.000788 -0.011333 28O 1dx2y2 -0.011678 -0.005594 0.001625 -0.003332 0.000076 -0.006407 28O 1dxy 0.009378 0.011405 -0.000749 0.005820 0.002358 -0.002110 28O 2dz2 -0.147191 -0.250907 -0.026833 -0.089465 0.023381 -0.000116 28O 2dxz 0.001539 0.040767 -0.012785 0.014023 0.034634 -0.116578 28O 2dyz 0.206687 0.138564 -0.012114 0.059540 0.001135 0.005211 28O 2dx2y2 0.060984 0.117595 0.045091 0.006215 -0.025796 -0.026850 28O 2dxy -0.182695 -0.144924 0.014411 -0.120475 0.042819 -0.235110 28O 1f0 -0.006460 -0.008095 0.002021 0.003809 -0.002123 0.001250 28O 1f+1 0.029080 0.024307 0.023210 0.010956 -0.006864 0.017698 28O 1f-1 0.010052 0.010266 0.005744 -0.001558 0.003843 -0.033930 28O 1f+2 -0.015343 -0.001636 -0.001627 -0.003723 0.007846 -0.025208 28O 1f-2 -0.021787 -0.029814 0.009308 -0.028572 -0.005174 -0.004654 28O 1f+3 0.007232 0.011702 0.007346 -0.003637 0.006483 -0.032023 28O 1f-3 -0.013964 -0.029064 0.010056 -0.034218 0.002723 -0.033513 29O 1s -0.002169 0.004707 -0.000721 -0.010794 -0.004859 0.015507 29O 2s -0.007055 0.015887 -0.001877 -0.036354 -0.017016 0.051943 29O 3s 0.039637 -0.109677 0.004883 0.235518 0.122441 -0.342641 29O 4s -0.076565 0.172037 -0.007040 -0.434178 -0.222826 0.581434 29O 5s 0.301165 -0.179935 0.061920 1.103607 0.410523 -1.167113 29O 1pz 0.002189 -0.013759 0.007347 0.025460 0.001925 -0.052769 29O 1px -0.007876 0.054568 -0.027414 -0.046432 -0.002236 0.097957 29O 1py 0.015405 -0.001885 0.015891 0.026122 0.004384 -0.038771 29O 2pz -0.004968 0.010537 -0.001727 -0.100915 -0.028826 0.176360 29O 2px 0.048588 -0.117017 0.066369 0.173542 0.024291 -0.264655 29O 2py -0.059756 0.013298 -0.048770 -0.133822 -0.023410 0.170258 29O 3pz 0.037177 -0.044042 0.059067 0.052792 0.026583 -0.043097 29O 3px -0.060721 0.038791 -0.044116 -0.276672 -0.069250 0.335424 29O 3py -0.056761 0.053078 0.082112 -0.257106 -0.141338 0.146448 29O 1dz2 -0.000309 -0.001753 0.000066 -0.002156 0.000170 0.003777 29O 1dxz -0.001875 0.000437 -0.002212 -0.001491 -0.000563 -0.001321 29O 1dyz -0.000030 -0.000716 0.001786 -0.001922 -0.002483 0.001661 29O 1dx2y2 0.000942 0.002112 -0.000566 0.003672 0.001487 -0.003153 29O 1dxy 0.001256 -0.001238 -0.002074 0.003068 0.002315 0.001643 29O 2dz2 0.007145 -0.006087 0.006808 0.024958 0.008663 -0.036746 29O 2dxz 0.009522 -0.006097 0.002221 0.010709 -0.006382 -0.033628 29O 2dyz -0.003308 0.004287 0.000749 0.014914 -0.000668 -0.031984 29O 2dx2y2 0.001608 0.012766 -0.001715 0.005010 -0.001059 0.003012 29O 2dxy -0.017395 0.017655 -0.035989 -0.035115 0.015090 0.064326 29O 1f0 -0.001113 0.000781 0.002855 -0.006095 -0.004583 0.004872 29O 1f+1 0.001245 -0.000951 -0.000714 0.003608 0.002660 -0.001371 29O 1f-1 -0.000188 -0.001581 0.005720 -0.005022 -0.006375 0.002704 29O 1f+2 -0.001166 -0.000443 -0.000906 0.001515 0.000797 -0.004914 29O 1f-2 -0.000103 0.000085 0.003198 -0.004184 -0.004805 -0.000791 29O 1f+3 -0.000733 -0.001870 0.000943 -0.003442 -0.001535 0.002697 29O 1f-3 -0.000462 0.001327 -0.001455 0.003054 0.001731 -0.002865 30O 1s -0.009457 -0.005393 -0.018471 -0.017584 0.008671 0.025752 30O 2s -0.033461 -0.017586 -0.065644 -0.060369 0.037752 0.089272 30O 3s 0.253321 0.108887 0.583920 0.454827 -0.510569 -0.691459 30O 4s -0.457677 -0.059711 -1.744979 -0.944948 2.256016 1.448512 30O 5s 0.878671 0.155918 0.462108 1.001901 0.383689 -1.180453 30O 1pz 0.039882 0.018613 0.073015 0.085954 0.077547 -0.094255 30O 1px -0.019165 0.015706 -0.076056 -0.093263 0.090617 -0.108396 30O 1py -0.074859 0.024008 0.195472 0.122135 0.055202 0.150868 30O 2pz -0.103926 -0.096629 0.035024 -0.190154 -0.670218 0.141197 30O 2px 0.057233 0.052134 -0.131904 0.216097 0.424432 0.336086 30O 2py 0.164888 -0.029001 -0.683859 -0.294721 0.347877 -0.285411 30O 3pz 0.134091 0.083885 0.086420 0.342001 -0.468642 0.000327 30O 3px 0.112774 0.013920 -0.009987 -0.047099 0.237017 -0.321467 30O 3py -0.177880 -0.071310 0.039351 -0.232840 0.566019 0.131167 30O 1dz2 0.000040 0.000463 -0.005769 -0.003325 -0.000658 -0.000114 30O 1dxz -0.000342 0.004135 0.008794 0.006049 0.011684 -0.005649 30O 1dyz -0.004314 -0.000721 0.001513 0.000290 0.010336 -0.001251 30O 1dx2y2 -0.000670 -0.000439 0.004464 0.002933 -0.003135 0.000476 30O 1dxy 0.001359 0.000203 -0.000676 0.001779 0.010405 0.006397 30O 2dz2 -0.020282 0.041271 0.124126 0.121490 0.225421 0.023902 30O 2dxz 0.010392 -0.022899 -0.152297 -0.141888 -0.194868 -0.030175 30O 2dyz -0.015647 -0.009853 0.003845 -0.018013 -0.044042 0.042992 30O 2dx2y2 -0.001228 0.014023 0.187049 0.133173 -0.016172 0.056506 30O 2dxy 0.011742 -0.007533 -0.170541 -0.083891 0.044039 -0.012561 30O 1f0 0.002706 0.003552 -0.020798 0.000761 0.036545 0.004658 30O 1f+1 0.008375 -0.006671 -0.040081 -0.046504 -0.046310 -0.005673 30O 1f-1 0.000517 -0.003935 -0.013831 -0.014860 -0.001449 0.004663 30O 1f+2 -0.004330 -0.004990 0.024514 0.019172 0.014052 0.005935 30O 1f-2 -0.000125 -0.003604 0.021688 0.007525 -0.029528 -0.001941 30O 1f+3 0.000839 -0.007887 0.017445 -0.001177 0.001906 0.001280 30O 1f-3 0.003705 -0.000933 -0.016798 -0.019040 -0.025564 0.002273 31O 1s -0.004632 0.006440 0.020320 -0.015734 -0.009176 -0.029074 31O 2s -0.016892 0.021259 0.072047 -0.053678 -0.039332 -0.101888 31O 3s 0.119755 -0.136122 -0.628786 0.392585 0.519121 0.819492 31O 4s -0.127980 0.108082 1.809949 -0.750669 -2.257996 -1.880526 31O 5s 0.808564 -0.254626 -0.624400 0.978515 -0.360652 1.384434 31O 1pz -0.017589 0.023399 0.083848 -0.085428 0.073613 -0.090664 31O 1px 0.046314 0.011934 -0.073784 0.098893 0.090909 -0.087233 31O 1py 0.073940 0.021277 0.185644 -0.129012 0.049034 0.146750 31O 2pz 0.084296 -0.110337 0.000037 0.218316 -0.654996 0.068225 31O 2px -0.159897 0.063911 -0.123948 -0.268046 0.414631 0.374925 31O 2py -0.205484 -0.020965 -0.654410 0.280137 0.356296 -0.210318 31O 3pz -0.122451 0.098997 0.112680 -0.329874 -0.478526 -0.021203 31O 3px -0.093813 0.024844 0.009693 0.051380 0.241112 -0.360736 31O 3py 0.169683 -0.088255 0.012043 0.214239 0.568302 0.181718 31O 1dz2 0.000080 -0.000359 0.005808 -0.003395 0.000674 -0.000881 31O 1dxz -0.002222 -0.004156 -0.009287 0.006156 -0.011109 0.004288 31O 1dyz -0.005059 0.001136 -0.000773 0.000404 -0.010025 -0.000706 31O 1dx2y2 -0.000948 0.000555 -0.003948 0.002732 0.003091 0.000201 31O 1dxy 0.002058 -0.000261 0.000555 0.002513 -0.010223 -0.007178 31O 2dz2 -0.048408 -0.040861 -0.129359 0.127596 -0.216441 -0.048093 31O 2dxz 0.026272 0.024432 0.155556 -0.147782 0.186085 0.039858 31O 2dyz -0.005811 0.012361 0.003833 -0.017212 0.043423 -0.042539 31O 2dx2y2 -0.003222 -0.016460 -0.186098 0.134665 0.020575 -0.038509 31O 2dxy 0.036111 0.007661 0.171738 -0.078692 -0.047198 -0.003108 31O 1f0 -0.004210 0.003804 -0.019729 -0.002758 0.036101 0.009807 31O 1f+1 -0.013986 -0.006082 -0.040045 0.047649 -0.043411 -0.009328 31O 1f-1 -0.002312 -0.004204 -0.014642 0.014921 -0.000842 0.004984 31O 1f+2 0.005854 -0.005205 0.023976 -0.019259 0.012956 0.005100 31O 1f-2 0.003640 -0.003841 0.021285 -0.005498 -0.029619 -0.005128 31O 1f+3 -0.001049 -0.007613 0.017979 0.001164 0.002135 -0.000868 31O 1f-3 -0.006218 -0.000715 -0.017250 0.019547 -0.024094 -0.000554 32O 1s -0.000063 -0.004420 0.001169 -0.009978 0.004227 -0.015581 32O 2s -0.000102 -0.014949 0.003365 -0.033651 0.014898 -0.052215 32O 3s -0.004146 0.104415 -0.013720 0.218050 -0.108982 0.344944 32O 4s -0.001879 -0.163033 0.024887 -0.404553 0.199860 -0.585428 32O 5s 0.132119 0.143225 -0.127854 1.046321 -0.350644 1.168703 32O 1pz 0.005186 -0.013143 0.006448 -0.021591 0.001472 -0.053828 32O 1px -0.009442 0.054180 -0.028264 0.038574 0.000154 0.097127 32O 1py -0.005609 -0.001036 0.017948 -0.023069 0.003921 -0.038134 32O 2pz -0.018032 0.008373 -0.000778 0.089694 -0.023360 0.169280 32O 2px -0.002558 -0.112201 0.074713 -0.154971 0.015384 -0.266280 32O 2py 0.024409 0.007304 -0.057999 0.123113 -0.017644 0.170541 32O 3pz -0.019862 -0.040996 0.061572 -0.048225 0.028671 -0.057540 32O 3px 0.006447 0.033679 -0.058459 0.255377 -0.056424 0.330541 32O 3py 0.054674 0.041836 0.066153 0.258864 -0.125516 0.146933 32O 1dz2 0.000187 0.001756 0.000050 -0.002011 -0.000260 -0.003491 32O 1dxz -0.001359 -0.000279 0.002456 -0.001382 0.000577 0.001175 32O 1dyz -0.000156 0.000823 -0.001725 -0.002056 0.002335 -0.001598 32O 1dx2y2 0.000577 -0.002218 0.000242 0.003609 -0.001270 0.003218 32O 1dxy 0.001666 0.001042 0.001762 0.003299 -0.002174 -0.001818 32O 2dz2 0.000287 0.005219 -0.008102 0.022246 -0.006019 0.035410 32O 2dxz 0.007143 0.005549 -0.004643 0.009648 0.007833 0.034397 32O 2dyz -0.009101 -0.004006 -0.000856 0.013893 0.002055 0.030383 32O 2dx2y2 0.002934 -0.012248 0.000244 0.005593 0.001167 -0.002562 32O 2dxy -0.002451 -0.015943 0.037886 -0.028915 -0.016624 -0.065387 32O 1f0 0.001158 0.000611 0.002143 0.005771 -0.003729 0.004730 32O 1f+1 -0.000972 -0.000754 -0.000560 -0.003815 0.002581 -0.001438 32O 1f-1 0.001181 -0.001817 0.005442 0.005822 -0.006084 0.002352 32O 1f+2 0.001255 -0.000402 -0.001358 -0.001821 0.001010 -0.004900 32O 1f-2 0.000483 -0.000106 0.002959 0.004182 -0.004413 -0.000190 32O 1f+3 0.000677 -0.002005 0.000760 0.003666 -0.001448 0.002469 32O 1f-3 0.000428 0.001375 -0.001414 -0.002942 0.001441 -0.003498 33O 1s -0.020444 0.010782 -0.004345 0.014219 -0.006369 -0.017904 33O 2s -0.068856 0.037225 -0.015264 0.050564 -0.020444 -0.066739 33O 3s 0.481896 -0.290464 0.148267 -0.402039 0.099460 0.676525 33O 4s -0.838917 0.699404 -0.437545 0.792092 0.161797 -2.412597 33O 5s 0.874233 -0.682373 -0.195631 -0.970419 0.477534 -0.123120 33O 1pz 0.095642 -0.204435 -0.059098 0.131665 -0.023912 0.052987 33O 1px -0.027016 -0.132732 -0.001930 0.007164 -0.009956 -0.000899 33O 1py -0.144778 0.081133 -0.036957 -0.021731 -0.038192 0.086851 33O 2pz -0.154109 0.511256 -0.001644 -0.256060 0.188722 -0.615057 33O 2px -0.037670 0.293134 0.112986 -0.069367 -0.159555 0.606520 33O 2py 0.359344 -0.209392 0.036830 0.062413 0.101628 -0.313252 33O 3pz 0.152391 -0.074620 -0.380529 0.134098 0.199443 -0.295853 33O 3px -0.090845 0.029948 0.223455 0.236360 -0.099577 0.148515 33O 3py -0.079148 0.126142 -0.187892 0.013308 0.007827 -0.127457 33O 1dz2 0.006328 -0.003429 -0.000104 -0.005112 0.001682 -0.005154 33O 1dxz 0.008042 0.000553 -0.002438 -0.000099 0.000210 0.011626 33O 1dyz 0.002774 0.002402 -0.001073 -0.007364 -0.001001 0.009409 33O 1dx2y2 -0.010074 0.006617 -0.000141 -0.003039 -0.000048 0.004891 33O 1dxy 0.007311 -0.012314 -0.000524 0.005452 -0.002100 0.001668 33O 2dz2 -0.108767 0.268062 0.043466 -0.079988 -0.026076 0.001881 33O 2dxz -0.002558 -0.044359 0.012999 0.013974 -0.033872 0.104691 33O 2dyz 0.180321 -0.162271 -0.017263 0.054850 0.001550 -0.006907 33O 2dx2y2 0.037344 -0.118635 -0.051958 -0.000250 0.025197 0.019790 33O 2dxy -0.148848 0.169169 0.009114 -0.113144 -0.045518 0.204746 33O 1f0 0.007315 -0.009611 0.001353 -0.003609 -0.002029 0.000294 33O 1f+1 -0.017925 0.026796 0.026590 -0.008660 -0.007020 0.015591 33O 1f-1 -0.007558 0.011016 0.007170 0.002011 0.003799 -0.031318 33O 1f+2 0.014639 -0.003308 -0.003881 0.003408 0.007699 -0.020948 33O 1f-2 0.016602 -0.032510 0.006247 0.027866 -0.004333 -0.003543 33O 1f+3 -0.003546 0.011899 0.008211 0.004419 0.006467 -0.027848 33O 1f-3 0.007507 -0.030477 0.008306 0.033105 0.003396 -0.029867 34O 1s 0.005720 0.001780 0.009971 0.003782 -0.025871 0.000123 34O 2s 0.019528 0.006749 0.037674 0.013092 -0.093682 0.000327 34O 3s -0.145546 -0.095411 -0.366076 -0.074532 0.813611 -0.015143 34O 4s 0.255809 0.440668 1.107971 -0.143305 -2.004605 0.153531 34O 5s -0.046246 0.629898 -0.437285 -0.723502 1.694437 0.663613 34O 1pz -0.049928 0.090626 -0.196398 0.087434 0.123063 0.011036 34O 1px 0.009008 -0.012552 0.134036 0.095113 -0.268942 -0.091604 34O 1py -0.011755 -0.025376 0.019428 -0.015910 -0.209429 -0.007589 34O 2pz 0.138032 -0.216627 0.506424 -0.207982 -0.257430 -0.039464 34O 2px -0.010277 0.275069 0.023878 -0.349743 0.249895 0.349966 34O 2py 0.021950 -0.017858 -0.099954 0.039752 0.628438 0.015511 34O 3pz 0.007262 0.029982 0.205283 0.104329 -0.206006 -0.191036 34O 3px 0.079518 0.315562 0.172681 -0.157298 -0.025813 -0.227523 34O 3py -0.015710 -0.051719 -0.175393 0.005070 0.231515 0.414406 34O 1dz2 -0.001815 -0.001524 0.007247 0.006271 -0.005975 -0.001151 34O 1dxz 0.000234 0.004001 0.004087 -0.003822 -0.012880 -0.002526 34O 1dyz 0.002202 -0.001318 0.005576 -0.004466 -0.003697 -0.001327 34O 1dx2y2 -0.001256 -0.000989 -0.009484 -0.001183 0.007997 0.003217 34O 1dxy 0.000152 0.000590 -0.008722 0.005679 0.000860 -0.006943 34O 2dz2 -0.002325 -0.027191 -0.013063 0.016751 -0.059414 -0.028855 34O 2dxz 0.068516 -0.092315 0.275623 -0.096401 -0.073114 0.014228 34O 2dyz -0.018423 0.023572 -0.037053 -0.008105 -0.005020 0.000213 34O 2dx2y2 0.006091 0.035921 -0.000640 -0.049010 0.165351 0.021497 34O 2dxy 0.033770 -0.014110 0.039615 -0.086923 0.289971 -0.007031 34O 1f0 -0.002215 -0.003172 -0.000789 -0.001525 0.015315 0.009441 34O 1f+1 -0.008219 -0.005647 -0.023027 0.013781 0.031273 0.003121 34O 1f-1 -0.002822 -0.002181 -0.004794 0.006231 -0.011015 -0.000956 34O 1f+2 0.003652 0.007377 -0.001122 -0.006605 -0.003086 -0.019908 34O 1f-2 0.005609 -0.002242 0.007066 -0.004693 -0.000807 -0.010970 34O 1f+3 0.006166 -0.009077 0.003091 -0.012197 0.022132 -0.003842 34O 1f-3 0.002843 0.008804 0.030641 -0.011966 -0.006568 -0.008562 35O 1s 0.012329 0.007290 -0.022544 -0.021979 0.017449 -0.005638 35O 2s 0.042048 0.028139 -0.077687 -0.076238 0.061006 -0.024549 35O 3s -0.286669 -0.302926 0.600914 0.573029 -0.468983 0.315837 35O 4s 0.448559 1.048404 -1.247672 -1.138074 0.892740 -1.139913 35O 5s -0.997501 0.132060 0.488512 1.115617 -0.980770 0.256331 35O 1pz -0.026523 -0.006362 -0.083766 -0.063094 -0.047649 0.219482 35O 1px 0.002101 0.101097 0.043526 -0.063169 0.084733 -0.275622 35O 1py -0.100373 0.013075 -0.091859 0.029807 0.019860 0.029328 35O 2pz -0.000318 0.058767 0.125750 0.144506 0.117288 -0.615304 35O 2px -0.126439 0.143112 -0.221840 0.152382 -0.177295 0.223577 35O 2py 0.167434 0.170426 0.151006 -0.088866 -0.027201 -0.281335 35O 3pz -0.130717 0.056260 -0.222028 -0.354241 0.147853 -0.144092 35O 3px -0.254613 0.112365 -0.061525 -0.316921 -0.025383 -0.367265 35O 3py -0.216883 0.212832 -0.187063 -0.263837 0.052983 -0.236421 35O 1dz2 -0.007019 0.004013 0.001595 0.002857 -0.000453 -0.006579 35O 1dxz 0.002418 0.007322 -0.001302 -0.000037 -0.000076 -0.004142 35O 1dyz -0.002060 0.000021 0.003953 0.006059 -0.002593 0.000529 35O 1dx2y2 0.008471 -0.008022 -0.002219 -0.005144 -0.002422 0.016429 35O 1dxy -0.002780 -0.000476 -0.006115 -0.000170 0.003960 0.007138 35O 2dz2 -0.020676 0.026457 0.016064 0.003272 0.032982 -0.048534 35O 2dxz -0.016468 0.041644 -0.010652 0.040998 0.069662 -0.198654 35O 2dyz -0.024341 0.000392 0.027440 0.042337 0.040002 -0.148769 35O 2dx2y2 -0.126302 -0.044212 -0.062399 0.093615 -0.081487 0.116787 35O 2dxy 0.043822 0.071287 0.046949 -0.067233 0.006279 -0.024432 35O 1f0 0.022733 -0.021955 0.003285 0.009397 0.002224 0.008702 35O 1f+1 0.006893 -0.011914 -0.001150 -0.005820 -0.002518 0.018137 35O 1f-1 0.010411 -0.004938 -0.002128 -0.002040 0.002326 0.008181 35O 1f+2 -0.012983 0.000442 -0.001203 -0.004835 -0.006256 -0.023598 35O 1f-2 0.001822 0.001171 -0.008312 0.002970 -0.002439 -0.002321 35O 1f+3 -0.019728 -0.000959 -0.010080 0.005371 0.003119 -0.006593 35O 1f-3 0.011593 -0.021085 0.007351 -0.001526 -0.007111 0.043886 528 529 530 531 532 533 3.35625 3.38081 3.38201 3.39770 3.39924 3.42025 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s -0.000186 -0.000418 -0.000547 -0.000336 -0.000676 0.000050 0Rh 2s 0.003151 0.003452 0.000846 -0.001554 0.001944 -0.000325 0Rh 3s 0.000803 -0.000397 -0.002745 -0.002944 -0.002843 0.000102 0Rh 4s -0.016681 -0.018625 -0.005026 0.007755 -0.010832 0.001803 0Rh 5s 0.038721 0.039274 -0.000324 -0.028296 0.010148 -0.003512 0Rh 6s -0.041460 -0.030492 0.042164 0.066341 0.045165 0.001082 0Rh 7s 0.031039 0.016376 -0.309750 -0.470353 -0.116690 0.014952 0Rh 8s 0.056932 -0.053685 -0.056098 -0.081549 -0.050025 -0.041485 0Rh 1pz 0.000980 -0.010055 -0.000427 0.002184 0.002694 0.001632 0Rh 1px 0.002008 -0.005262 -0.003838 -0.004902 -0.003173 0.000047 0Rh 1py -0.000183 0.000456 -0.002756 -0.005725 0.008399 0.000961 0Rh 2pz -0.003872 0.039058 0.001799 -0.007998 -0.010464 -0.006446 0Rh 2px -0.007558 0.020229 0.014234 0.018027 0.011763 -0.000242 0Rh 2py 0.000751 -0.002119 0.010367 0.022205 -0.032560 -0.003845 0Rh 3pz 0.010481 -0.093106 -0.006527 0.008304 0.024611 0.017912 0Rh 3px 0.012608 -0.043286 -0.018533 -0.020287 -0.015173 0.002099 0Rh 3py -0.002541 0.012582 -0.017387 -0.051569 0.076323 0.011117 0Rh 4pz -0.014454 0.095527 0.010805 0.030949 -0.021337 -0.029030 0Rh 4px 0.007843 0.024256 -0.041002 -0.064098 -0.036172 -0.008895 0Rh 4py 0.004154 -0.039427 -0.008388 0.044695 -0.074618 -0.015764 0Rh 5pz 0.019830 -0.132042 -0.013655 -0.078748 -0.000481 0.054739 0Rh 5px -0.033336 -0.007335 0.126761 0.170197 0.139180 0.023082 0Rh 5py -0.005996 0.069285 0.037376 -0.044868 0.099415 0.017539 0Rh 6pz 0.260700 -0.950353 0.060532 -0.142473 1.135837 -0.018476 0Rh 6px 0.121006 -0.463376 -0.166156 0.241595 -1.305875 -0.129133 0Rh 6py 0.179510 0.520183 -0.164085 -0.554434 0.878322 0.302159 0Rh 1dz2 -0.005355 -0.013070 0.000105 0.008820 -0.004934 -0.015156 0Rh 1dxz 0.007408 -0.009264 -0.025339 0.007371 -0.001234 -0.003762 0Rh 1dyz 0.004038 0.012298 0.001818 -0.005568 0.000639 -0.038367 0Rh 1dx2y2 -0.005151 -0.005785 -0.005111 0.021236 0.027643 -0.016925 0Rh 1dxy -0.001882 0.005197 -0.000994 -0.012883 0.001620 -0.005879 0Rh 2dz2 -0.000020 -0.002668 0.000282 0.002403 0.000712 -0.000750 0Rh 2dxz 0.000186 -0.000247 -0.003519 0.002348 0.001195 -0.001544 0Rh 2dyz 0.004305 0.001778 -0.001694 0.001398 0.002224 -0.002256 0Rh 2dx2y2 0.000554 -0.000277 -0.002482 0.001927 0.003203 -0.001724 0Rh 2dxy 0.001128 0.000688 -0.002246 -0.001318 -0.001313 0.000542 0Rh 3dz2 0.017421 0.055918 -0.001825 -0.040753 0.013321 0.054551 0Rh 3dxz -0.025515 0.032319 0.101083 -0.035629 -0.001014 0.019752 0Rh 3dyz -0.034389 -0.049765 0.001239 0.012379 -0.012414 0.139776 0Rh 3dx2y2 0.014374 0.020567 0.028463 -0.080171 -0.107880 0.065101 0Rh 3dxy 0.000703 -0.020663 0.013321 0.049534 0.000511 0.017371 0Rh 4dz2 -0.001107 -0.064945 0.008876 0.054017 -0.001096 -0.048516 0Rh 4dxz 0.017706 -0.025360 -0.107960 0.051260 0.009970 -0.031359 0Rh 4dyz 0.096010 0.061385 -0.010981 0.004945 0.034446 -0.127676 0Rh 4dx2y2 0.002068 -0.013987 -0.045819 0.074789 0.111867 -0.064166 0Rh 4dxy 0.021085 0.023333 -0.029305 -0.050090 -0.015160 -0.009385 0Rh 5dz2 -0.181694 0.005392 -0.091071 0.003740 -0.054457 0.077485 0Rh 5dxz 0.027236 -0.019919 0.066350 -0.051187 -0.016403 0.049063 0Rh 5dyz -0.529880 -0.175171 -0.121303 0.011164 -0.094288 0.207625 0Rh 5dx2y2 -0.102849 -0.073998 0.025901 -0.013058 -0.026746 0.024635 0Rh 5dxy -0.193577 -0.045017 -0.016663 0.016790 0.077732 0.079845 0Rh 1f0 -0.005251 0.000483 -0.000173 0.002566 -0.021330 0.011106 0Rh 1f+1 0.009841 0.020189 0.011032 0.000459 0.016401 -0.021262 0Rh 1f-1 -0.011677 0.031841 0.010323 -0.001877 0.000074 0.021648 0Rh 1f+2 -0.005485 -0.021686 -0.002990 0.000845 0.002405 0.013934 0Rh 1f-2 0.037550 0.006920 0.002167 0.018405 -0.003157 -0.025884 0Rh 1f+3 -0.015872 0.002056 0.008233 -0.004834 0.030760 -0.004429 0Rh 1f-3 -0.010091 0.009012 0.007602 0.005584 -0.001402 0.022394 1Rh 1s -0.000312 -0.000052 -0.000660 -0.000668 0.000289 -0.000072 1Rh 2s 0.004079 -0.001572 0.002406 -0.000146 -0.002573 0.000392 1Rh 3s 0.000616 -0.001259 -0.002470 -0.004065 0.000161 -0.000191 1Rh 4s -0.021684 0.008242 -0.013362 0.000091 0.013719 -0.002187 1Rh 5s 0.048698 -0.023390 0.019133 -0.017590 -0.027431 0.004063 1Rh 6s -0.046750 0.041350 0.019815 0.082109 0.011284 -0.000619 1Rh 7s 0.062925 -0.181916 -0.241642 -0.427850 -0.226565 -0.017641 1Rh 8s 0.079144 0.021296 -0.078712 -0.088517 -0.019339 0.033566 1Rh 1pz -0.001078 -0.007520 0.006350 -0.003768 0.000545 0.002049 1Rh 1px -0.002167 -0.002084 0.006274 0.005515 0.000896 0.000195 1Rh 1py 0.000720 0.002013 0.001942 -0.000945 0.010142 0.001828 1Rh 2pz 0.004317 0.029169 -0.024778 0.014288 -0.002424 -0.008013 1Rh 2px 0.008178 0.008296 -0.023691 -0.020292 -0.003214 -0.000798 1Rh 2py -0.002794 -0.007893 -0.007069 0.003650 -0.039320 -0.007124 1Rh 3pz -0.012915 -0.069169 0.060919 -0.026114 0.012367 0.020441 1Rh 3px -0.014213 -0.024269 0.040878 0.022911 0.001948 0.002910 1Rh 3py 0.006486 0.020439 0.006594 -0.008811 0.091807 0.016824 1Rh 4pz 0.021405 0.072137 -0.066156 -0.004187 -0.034917 -0.026911 1Rh 4px -0.004952 0.041831 0.019363 0.074131 0.016737 -0.007771 1Rh 4py -0.005175 -0.026442 0.029690 0.012442 -0.085943 -0.013095 1Rh 5pz -0.028646 -0.103575 0.091515 0.052273 0.049129 0.047442 1Rh 5px 0.022005 -0.076159 -0.100208 -0.222714 -0.011789 0.019646 1Rh 5py 0.007057 0.033173 -0.070218 -0.026622 0.105147 0.005146 1Rh 6pz -0.450114 -0.809639 0.497711 -0.713954 0.935270 -0.019940 1Rh 6px 0.041016 -0.271266 0.427050 0.680353 -1.130946 -0.131478 1Rh 6py -0.223119 0.497505 -0.174044 -0.158336 1.022008 0.311904 1Rh 1dz2 -0.006979 0.010186 -0.008123 0.003186 0.009454 0.014575 1Rh 1dxz 0.006955 -0.007408 -0.025542 0.004723 0.006058 0.004292 1Rh 1dyz 0.004175 -0.008449 0.009058 -0.004409 -0.004381 0.038257 1Rh 1dx2y2 -0.001784 0.001009 -0.006651 0.033957 -0.006627 0.017327 1Rh 1dxy 0.003064 -0.004359 0.002638 -0.007693 -0.009280 0.006017 1Rh 2dz2 -0.000492 0.002201 -0.001443 0.002228 0.001001 0.000725 1Rh 2dxz 0.000388 -0.001880 -0.002846 0.002532 0.000680 0.001716 1Rh 2dyz 0.003469 -0.002432 -0.000312 0.002291 -0.000942 0.002382 1Rh 2dx2y2 0.000611 -0.001279 -0.002085 0.003455 -0.001187 0.001736 1Rh 2dxy 0.001587 -0.001827 -0.001394 -0.001693 0.000127 -0.000393 1Rh 3dz2 0.025016 -0.044246 0.033631 -0.020996 -0.036437 -0.052482 1Rh 3dxz -0.024881 0.033349 0.098765 -0.027338 -0.023785 -0.022327 1Rh 3dyz -0.030988 0.039512 -0.029509 0.004335 0.019139 -0.139979 1Rh 3dx2y2 0.002842 0.002513 0.031767 -0.130106 0.027945 -0.066511 1Rh 3dxy -0.017891 0.022859 -0.002749 0.033725 0.030788 -0.018512 1Rh 4dz2 -0.011674 0.055189 -0.033690 0.038702 0.035712 0.046782 1Rh 4dxz 0.019083 -0.043188 -0.099315 0.044683 0.027365 0.035088 1Rh 4dyz 0.083846 -0.054545 0.028074 0.021319 -0.025792 0.129070 1Rh 4dx2y2 0.010616 -0.017448 -0.042202 0.127806 -0.035100 0.065252 1Rh 4dxy 0.038078 -0.034108 -0.008939 -0.043378 -0.020506 0.011791 1Rh 5dz2 -0.172926 -0.059590 -0.068451 -0.030342 0.042844 -0.076173 1Rh 5dxz 0.020561 0.055960 0.037929 -0.046897 -0.020706 -0.054519 1Rh 5dyz -0.503142 0.060074 -0.199325 -0.039934 0.081343 -0.208019 1Rh 5dx2y2 -0.093249 0.071167 -0.021282 -0.022549 0.013682 -0.023510 1Rh 5dxy -0.190823 0.021194 -0.038428 0.064020 -0.047527 -0.085416 1Rh 1f0 0.004786 0.000780 0.000088 0.011383 -0.017818 0.010209 1Rh 1f+1 -0.012666 0.009110 -0.021348 -0.010934 0.012207 -0.022301 1Rh 1f-1 0.005901 0.018766 -0.027453 0.000023 0.000541 0.018963 1Rh 1f+2 0.004420 -0.015125 0.015812 -0.002482 0.001421 0.015062 1Rh 1f-2 -0.040862 0.003856 -0.005857 -0.011629 -0.014189 -0.028552 1Rh 1f+3 0.013572 -0.003705 -0.008352 -0.016479 0.026124 -0.004310 1Rh 1f-3 0.005817 0.002900 -0.011605 -0.004414 -0.005178 0.021552 2C 1s -0.000808 -0.000693 -0.001274 -0.005926 0.001140 -0.003624 2C 2s -0.000792 -0.003251 -0.002902 -0.019529 0.004391 -0.007611 2C 3s -0.036097 0.265208 -0.084838 0.188858 -0.162781 -0.193715 2C 4s 0.862466 -0.742619 1.014093 0.027896 1.178974 1.199350 2C 5s -0.491386 0.526361 -0.581323 1.780066 -0.308107 -1.011614 2C 1pz 0.003818 0.097922 -0.012162 -0.027642 -0.022473 -0.014797 2C 1px 0.060010 0.068272 0.012227 0.123641 0.045156 -0.040136 2C 1py 0.030842 0.037322 0.010022 0.146025 -0.043637 -0.029833 2C 2pz 0.779281 -0.226478 0.843081 0.181701 0.898552 0.369686 2C 2px -0.430225 -0.406916 -0.178394 -0.198946 -0.368064 0.043670 2C 2py 0.412855 -0.174594 0.470491 -0.441804 0.612245 0.366142 2C 3pz -0.017868 -0.029686 -0.053717 0.513304 -0.009330 -0.054564 2C 3px -0.167484 -0.059461 -0.129425 0.049779 -0.233331 -0.218003 2C 3py -0.077544 0.124944 -0.027174 0.170827 0.104754 -0.179622 2C 1dz2 0.027927 0.006736 0.036006 0.226341 -0.050251 -0.032937 2C 1dxz 0.064435 -0.018062 0.053693 -0.008402 -0.014307 0.002450 2C 1dyz 0.093257 0.138483 0.019484 -0.026612 0.049203 0.003174 2C 1dx2y2 0.089580 -0.012116 0.043316 0.322846 0.025979 -0.023771 2C 1dxy 0.031467 0.088922 0.023096 -0.169068 0.087488 -0.016497 2C 2dz2 0.256541 -0.030407 0.250212 0.112043 0.310844 0.057866 2C 2dxz 0.003279 0.101461 0.067362 -0.115800 0.095797 0.073879 2C 2dyz 0.031905 -0.315683 0.196920 -0.253036 0.226834 0.110405 2C 2dx2y2 -0.397153 -0.140727 -0.279354 -0.441711 -0.333135 -0.082584 2C 2dxy -0.134689 -0.302078 -0.030591 0.272515 -0.264906 0.050496 2C 1f0 0.022831 0.076746 -0.003592 -0.170329 0.102792 -0.040567 2C 1f+1 0.050389 -0.027266 0.066964 -0.054824 0.046969 0.081977 2C 1f-1 0.000282 -0.053099 0.017159 0.146904 0.036578 -0.021139 2C 1f+2 -0.042159 0.082504 -0.084088 -0.076143 0.016300 0.030957 2C 1f-2 -0.014554 0.038232 0.008293 -0.109462 0.014161 0.155681 2C 1f+3 -0.027026 -0.017367 0.039018 -0.080415 0.017711 -0.008824 2C 1f-3 0.068228 0.074325 0.029599 -0.006221 0.084235 0.047374 3C 1s 0.002333 -0.006269 -0.002017 -0.001943 -0.001629 0.004891 3C 2s 0.005723 -0.020821 -0.007722 -0.005403 -0.005689 0.011387 3C 3s -0.063771 0.259314 0.062956 -0.053555 0.227716 0.092767 3C 4s -0.859593 -0.929686 0.046570 0.831304 -0.444304 -1.076567 3C 5s -0.183796 1.716354 1.051166 -0.229050 0.743470 -0.200856 3C 1pz -0.004241 0.065601 0.008132 -0.007938 -0.003467 0.019702 3C 1px -0.145012 0.133174 0.106779 0.016164 0.057724 0.013621 3C 1py 0.042096 -0.005006 0.025313 -0.004429 -0.104379 0.029888 3C 2pz -0.894282 -0.910454 -0.168054 0.485022 0.230284 -0.588051 3C 2px 0.446603 -0.340563 -0.209764 0.117649 -0.359824 0.007587 3C 2py 0.692280 0.611556 -0.129858 -0.518711 0.221939 0.201600 3C 3pz -0.143146 0.031832 0.182963 0.085527 0.159463 -0.103884 3C 3px 0.191886 0.080109 0.032816 -0.004487 0.001676 0.171982 3C 3py 0.100903 -0.494158 -0.274273 0.022165 -0.043674 0.141483 3C 1dz2 0.124489 -0.012444 -0.047640 -0.031943 -0.032813 -0.009311 3C 1dxz 0.172740 -0.267894 -0.218609 -0.014226 0.035096 -0.010047 3C 1dyz 0.084779 0.028269 0.010064 0.000824 -0.132620 0.044038 3C 1dx2y2 0.114055 -0.134022 -0.082455 0.008363 0.046002 -0.010726 3C 1dxy 0.114141 0.076009 0.070346 -0.036329 -0.078610 0.029570 3C 2dz2 -0.284328 -0.252406 -0.079499 0.077157 0.285782 -0.185103 3C 2dxz -0.464182 0.138152 0.248825 0.129779 0.021059 -0.188112 3C 2dyz 0.004825 0.216022 -0.004583 -0.147879 0.302262 -0.047279 3C 2dx2y2 0.441514 0.303583 -0.057912 -0.242925 -0.223965 0.122852 3C 2dxy -0.221148 0.321898 0.125158 -0.109910 0.120419 0.022014 3C 1f0 -0.098163 0.019464 -0.018790 -0.026953 0.001623 -0.059297 3C 1f+1 -0.068086 -0.058250 -0.053808 0.022052 0.115555 -0.119199 3C 1f-1 0.050280 -0.198889 -0.135659 -0.028633 0.105243 -0.122410 3C 1f+2 0.029844 -0.118368 -0.086077 -0.032506 0.007462 -0.038999 3C 1f-2 0.000665 0.046075 0.035750 -0.038277 0.088449 0.033420 3C 1f+3 -0.084946 -0.025883 0.033729 0.031756 0.005214 -0.121671 3C 1f-3 0.056904 0.138186 0.023541 -0.053240 -0.026136 -0.071750 4C 1s -0.002984 0.002559 -0.001942 0.002209 -0.001737 -0.001768 4C 2s -0.009736 0.009019 -0.005589 0.009235 -0.005302 -0.006590 4C 3s -0.032750 -0.484615 0.020994 -0.385262 -0.049472 0.218547 4C 4s -0.345797 2.073625 -0.382941 1.665739 -0.313201 -0.945061 4C 5s -0.482490 -0.248471 -0.638871 -0.442081 0.488778 0.281175 4C 1pz -0.060673 -0.032615 -0.038532 0.063669 -0.066762 -0.039476 4C 1px -0.054477 -0.012578 0.000688 0.019043 -0.046584 -0.167520 4C 1py -0.044929 -0.005675 -0.046490 -0.036801 -0.025476 -0.051062 4C 2pz 0.790282 -0.045900 0.918742 0.159437 1.074286 0.333703 4C 2px -0.074274 -0.294073 -0.189887 -0.338881 -0.093468 1.048407 4C 2py 0.375012 -0.099405 0.523933 0.058353 0.577039 0.418412 4C 3pz -0.561810 0.582643 -0.830891 1.704979 -0.022951 -0.908700 4C 3px 0.146686 0.229836 -0.067255 0.164478 0.329428 0.488631 4C 3py -0.262229 0.199354 -0.601499 1.051194 -0.107325 -0.169468 4C 1dz2 0.001182 -0.062095 -0.001976 -0.064526 0.025553 0.039775 4C 1dxz 0.093341 0.032319 0.029489 -0.044285 0.165403 0.081997 4C 1dyz 0.028842 0.010879 0.069041 0.001635 0.010211 0.009014 4C 1dx2y2 -0.041513 0.002947 -0.033773 -0.266237 -0.066044 0.055188 4C 1dxy 0.059624 -0.044055 0.027037 0.071071 0.004880 0.057045 4C 2dz2 -0.308370 -0.068450 -0.348198 0.136894 -0.227230 -0.440441 4C 2dxz -0.974551 -0.578315 -0.679306 -0.805924 -1.006828 0.371506 4C 2dyz -0.413584 -0.024043 -0.468426 -0.243815 -0.307002 -0.207494 4C 2dx2y2 0.709485 0.640286 0.535836 0.640262 0.658544 0.048065 4C 2dxy -0.230211 -0.003852 -0.173459 0.001604 -0.304958 0.244304 4C 1f0 -0.080851 -0.075462 -0.087819 0.021512 -0.065733 -0.040362 4C 1f+1 -0.116306 0.047965 -0.061393 -0.312127 0.006337 0.060589 4C 1f-1 -0.020104 -0.022842 0.033641 -0.106604 0.041897 -0.040552 4C 1f+2 0.132696 0.162044 0.120293 -0.192693 0.171377 -0.015371 4C 1f-2 0.034369 -0.088500 -0.001875 0.146115 -0.061643 0.233799 4C 1f+3 0.038565 -0.014025 0.104081 0.187632 0.016524 -0.098491 4C 1f-3 -0.109207 -0.098569 -0.031827 0.134642 -0.131227 -0.095348 5C 1s 0.002798 0.002305 0.001767 -0.000856 0.002786 0.002153 5C 2s 0.008282 0.009234 0.006900 -0.001473 0.009746 0.006316 5C 3s 0.287871 -0.184874 -0.198595 -0.061105 -0.514354 0.119100 5C 4s -0.720806 1.278068 0.746385 0.123376 2.262096 -0.676465 5C 5s 0.653009 -0.585719 0.312661 -0.393151 -0.229776 -0.441697 5C 1pz 0.025967 0.001684 -0.018097 -0.023534 0.007867 -0.037964 5C 1px 0.075842 0.003313 0.020712 -0.000761 -0.049207 0.168345 5C 1py -0.085338 -0.122453 -0.052088 0.028170 0.049194 -0.107892 5C 2pz -0.581466 -0.427644 0.228421 0.426295 0.097249 0.012443 5C 2px 0.176859 -0.314190 -0.333588 0.211822 -0.034547 -0.929144 5C 2py 1.037871 0.893446 -0.067563 -0.719384 -0.147118 0.813713 5C 3pz 0.052491 1.038727 0.650734 -0.283473 0.251970 -0.268306 5C 3px -0.197198 0.430256 0.274789 -0.150459 0.416627 -0.824278 5C 3py 0.098549 -1.390102 -1.250108 0.316392 -0.784046 0.393201 5C 1dz2 0.049617 0.073500 0.096209 0.008953 0.002229 0.137031 5C 1dxz -0.179226 0.157518 0.189804 0.017187 -0.005478 0.015703 5C 1dyz -0.036837 -0.035970 -0.000815 -0.032688 0.050663 -0.080717 5C 1dx2y2 0.027502 0.099072 -0.011270 -0.045098 0.014276 0.068892 5C 1dxy 0.078924 0.113550 0.036858 -0.044002 -0.073351 0.091273 5C 2dz2 0.118693 -0.189714 -0.181420 -0.050177 -0.168864 0.140433 5C 2dxz 1.249859 0.154117 -0.344612 -0.398291 -0.691111 0.211460 5C 2dyz 0.138918 -0.186985 -0.174975 0.191902 -0.233889 -0.110878 5C 2dx2y2 -0.954547 -0.515380 -0.031619 0.583714 0.480547 -0.824615 5C 2dxy -1.424710 -0.032911 0.507785 0.415263 0.504603 0.001877 5C 1f0 0.169932 -0.066715 -0.131773 -0.036522 0.041845 -0.060229 5C 1f+1 0.041317 0.310699 0.166012 -0.073865 -0.179179 0.095792 5C 1f-1 -0.086597 -0.017669 -0.037395 0.014093 0.025746 -0.237006 5C 1f+2 -0.090696 -0.051241 0.044072 -0.027662 0.056523 0.065066 5C 1f-2 -0.103956 -0.255250 -0.095812 0.047368 0.142869 0.051658 5C 1f+3 0.186974 -0.206966 -0.153807 -0.021546 0.034731 -0.012824 5C 1f-3 -0.211758 -0.017282 -0.016547 0.045269 0.038645 -0.233551 6C 1s 0.002685 -0.000790 0.002773 0.001137 -0.002566 -0.002405 6C 2s 0.007824 -0.003290 0.010989 0.004990 -0.008044 -0.007032 6C 3s 0.321179 0.041889 -0.283725 -0.354435 0.343452 -0.114921 6C 4s -0.875948 -0.621254 1.414094 1.421557 -1.617502 0.670557 6C 5s 0.679543 0.676631 -0.101556 -0.443431 -0.063716 0.445044 6C 1pz -0.026297 0.011457 0.013873 0.013777 0.022305 -0.039408 6C 1px -0.071174 -0.011821 -0.014306 0.032098 -0.038847 0.177732 6C 1py 0.088101 -0.064270 0.110153 -0.053510 0.018990 -0.112606 6C 2pz 0.561959 -0.463609 0.058887 -0.400988 -0.216289 0.008758 6C 2px -0.166313 -0.041406 0.439078 -0.128305 -0.153497 -0.998645 6C 2py -1.015187 0.725351 -0.437100 0.649352 0.365311 0.856648 6C 3pz 0.015404 0.436047 -1.149633 0.119349 0.377661 -0.267059 6C 3px 0.191550 0.181651 -0.495715 -0.111908 0.417807 -0.841975 6C 3py -0.207824 -0.366243 1.842056 0.154780 -0.795993 0.395868 6C 1dz2 0.041034 -0.002359 0.116599 0.008725 0.005600 -0.140407 6C 1dxz -0.169139 -0.015180 0.246906 0.008991 0.017614 -0.017331 6C 1dyz -0.034261 0.028189 -0.019060 0.006156 -0.058966 0.080700 6C 1dx2y2 0.033376 -0.084338 0.046916 -0.023364 -0.041612 -0.071399 6C 1dxy 0.069889 -0.066528 0.093516 -0.084098 0.026801 -0.095771 6C 2dz2 0.156552 0.052024 -0.261995 -0.129402 0.095004 -0.152284 6C 2dxz 1.242672 -0.298645 -0.217167 -0.748548 0.252135 -0.220325 6C 2dyz 0.129015 0.041393 -0.255008 0.004344 0.298019 0.134898 6C 2dx2y2 -1.019375 0.354979 -0.290200 0.723986 0.022360 0.873020 6C 2dxy -1.372496 0.305305 0.413708 0.652574 -0.098654 -0.013416 6C 1f0 -0.162355 0.023899 0.145658 -0.000212 0.058053 -0.068103 6C 1f+1 -0.053007 0.143848 -0.313701 0.172526 -0.086773 0.108451 6C 1f-1 0.086260 0.009698 0.035744 -0.022185 0.012283 -0.245666 6C 1f+2 0.089703 -0.066313 -0.005744 -0.016932 0.056664 0.072482 6C 1f-2 0.111754 -0.144568 0.225426 -0.130774 0.074020 0.057822 6C 1f+3 -0.183897 -0.076876 0.249344 -0.011582 0.040429 -0.013240 6C 1f-3 0.217132 0.000530 0.015150 -0.055261 0.002371 -0.243911 7C 1s -0.003063 -0.003276 -0.000032 0.000391 0.002642 0.002081 7C 2s -0.009781 -0.010802 0.000957 0.003045 0.009691 0.007593 7C 3s -0.109608 0.406988 -0.289882 -0.331109 -0.219806 -0.245287 7C 4s -0.113341 -1.924993 0.998159 1.065876 1.339753 1.037654 7C 5s -0.462942 -0.191828 -0.655444 0.033556 -0.653648 -0.291440 7C 1pz 0.074880 -0.002208 0.053306 0.002116 -0.087715 -0.040760 7C 1px 0.073175 -0.013874 0.010383 0.025960 -0.044374 -0.184207 7C 1py 0.060766 0.022522 0.043260 0.050293 0.008644 -0.056172 7C 2pz -0.989751 -0.582815 -0.749112 -0.896649 0.652959 0.334277 7C 2px 0.104501 -0.103621 0.332758 0.276088 0.125079 1.178275 7C 2py -0.469889 -0.389961 -0.382045 -0.469005 0.364388 0.462201 7C 3pz 0.419051 1.004515 0.256545 -1.267873 -1.116521 -0.949763 7C 3px -0.188054 0.229737 -0.089840 -0.355623 0.137696 0.506273 7C 3py 0.146639 0.547978 0.322163 -0.757685 -0.766731 -0.188701 7C 1dz2 0.004089 0.047123 -0.037914 -0.024541 -0.059254 -0.042719 7C 1dxz 0.122335 -0.010135 0.048642 0.085110 -0.151778 -0.083496 7C 1dyz 0.023260 0.033942 0.060446 0.004141 -0.006360 -0.013536 7C 1dx2y2 -0.069794 -0.019273 -0.029660 -0.244740 -0.124429 -0.061053 7C 1dxy 0.070912 0.051169 -0.004752 0.059322 0.043672 -0.058084 7C 2dz2 -0.363484 -0.147960 -0.328136 -0.089367 0.222689 0.489089 7C 2dxz -1.266687 0.060320 -0.940553 -1.313202 0.213833 -0.452696 7C 2dyz -0.481567 -0.259675 -0.401033 -0.402778 0.056079 0.226055 7C 2dx2y2 0.920668 -0.200111 0.854826 0.963501 -0.041906 -0.040818 7C 2dxy -0.266713 -0.107552 -0.145363 -0.190186 0.242774 -0.295011 7C 1f0 0.091901 -0.006082 0.118440 0.031932 -0.057811 -0.040290 7C 1f+1 0.155113 0.073714 0.025536 0.238798 0.215542 0.067130 7C 1f-1 0.035400 -0.039588 -0.012679 0.057810 0.105259 -0.043885 7C 1f+2 -0.151535 0.052406 -0.197730 0.026478 0.250524 -0.029305 7C 1f-2 -0.057549 -0.062028 0.049839 -0.082211 -0.145784 0.255781 7C 1f+3 -0.048523 -0.076508 -0.073659 -0.148642 -0.111056 -0.116426 7C 1f-3 0.131180 -0.060912 0.088542 -0.007575 -0.182702 -0.116099 8C 1s 0.002527 0.003940 -0.005417 -0.002319 0.000094 -0.005234 8C 2s 0.006369 0.012406 -0.018714 -0.007100 0.001113 -0.012226 8C 3s -0.083476 -0.173025 0.205341 0.093970 -0.207079 -0.101586 8C 4s -0.801071 0.748279 -0.485833 0.378504 0.875250 1.161482 8C 5s -0.300919 -0.749983 1.877394 0.185472 -0.715170 0.183747 8C 1pz 0.006250 0.048464 -0.046852 0.009835 0.002818 0.020641 8C 1px 0.140963 0.045119 -0.166951 -0.048318 0.032780 0.016524 8C 1py -0.051281 -0.021232 -0.016297 0.066715 -0.076411 0.031502 8C 2pz 0.878103 -0.604176 0.643287 -0.524942 -0.149603 -0.615418 8C 2px -0.440148 -0.149856 0.379337 0.142220 -0.350070 0.001199 8C 2py -0.649329 0.551920 -0.244681 0.283721 0.512241 0.227443 8C 3pz 0.151636 -0.078186 -0.166661 -0.155895 0.063159 -0.108702 8C 3px -0.165411 0.044965 -0.070227 0.011069 0.006335 0.172829 8C 3py -0.115163 -0.232061 0.519342 -0.013669 -0.050019 0.144382 8C 1dz2 0.130701 -0.014558 -0.051485 -0.043401 0.003891 0.008843 8C 1dxz 0.158623 0.086671 -0.337978 0.014933 -0.036960 0.016130 8C 1dyz 0.090097 -0.014394 0.023378 -0.084886 0.100718 -0.044893 8C 1dx2y2 0.108591 0.059760 -0.148418 0.039583 -0.029829 0.014780 8C 1dxy 0.116001 -0.014997 0.095872 -0.077658 0.034627 -0.030619 8C 2dz2 -0.302137 0.145599 -0.199415 0.237176 -0.164924 0.192382 8C 2dxz -0.453479 0.025649 0.299776 0.106397 0.072337 0.189336 8C 2dyz -0.029449 -0.177763 0.127789 0.068341 -0.327197 0.046356 8C 2dx2y2 0.433391 -0.265493 0.121979 -0.337939 0.005497 -0.132870 8C 2dxy -0.202006 -0.183676 0.297555 -0.010725 -0.162275 -0.033196 8C 1f0 0.101735 0.028159 0.000436 0.022831 0.020991 -0.061580 8C 1f+1 0.062621 -0.013374 0.073268 -0.093367 0.074371 -0.123636 8C 1f-1 -0.046351 -0.078071 0.225460 -0.049227 0.099904 -0.129784 8C 1f+2 -0.022831 -0.043751 0.138686 0.021816 0.025121 -0.038527 8C 1f-2 -0.009790 0.013838 -0.055541 -0.029471 0.090658 0.039080 8C 1f+3 0.076938 -0.039922 -0.014189 -0.027820 -0.018013 -0.123871 8C 1f-3 -0.057682 0.094049 -0.099688 0.059257 0.017613 -0.073484 9C 1s -0.001707 0.000058 -0.001695 -0.003957 -0.004767 0.004114 9C 2s -0.003197 0.001647 -0.004985 -0.012316 -0.016063 0.008755 9C 3s -0.028359 -0.264876 0.091837 0.025486 0.239176 0.212094 9C 4s 1.051418 1.185633 0.409146 0.893276 -0.808661 -1.311823 9C 5s -0.403350 -0.801604 -0.100819 1.119898 1.377338 1.083175 9C 1pz -0.005279 0.085520 -0.049093 0.037098 0.002661 -0.013732 9C 1px -0.085698 0.050529 -0.055999 -0.123416 -0.043309 -0.047252 9C 1py -0.044423 0.026063 -0.032120 -0.082710 -0.130102 -0.034456 9C 2pz -0.921920 -0.685318 -0.566254 -0.780120 0.516441 0.382445 9C 2px 0.578061 -0.220920 0.413518 0.419874 -0.142182 0.067604 9C 2py -0.465701 -0.430112 -0.277698 -0.106246 0.722757 0.393025 9C 3pz -0.031187 0.017820 0.045505 -0.389661 -0.342216 -0.060896 9C 3px 0.199228 0.029494 0.141134 0.124070 -0.206467 -0.216899 9C 3py 0.073041 0.124710 -0.060949 -0.186353 -0.031595 -0.182000 9C 1dz2 0.036924 0.013437 0.031636 0.137758 0.190407 0.036782 9C 1dxz 0.066158 0.052348 0.027379 -0.012425 0.016194 -0.001831 9C 1dyz 0.118076 -0.097907 0.103265 0.017450 -0.052792 0.001933 9C 1dx2y2 0.126462 0.033402 0.029931 0.265007 0.198903 0.032420 9C 1dxy 0.036836 -0.054384 0.074595 -0.064480 -0.173125 0.015064 9C 2dz2 0.312255 0.174661 0.191097 0.299661 -0.152327 -0.049684 9C 2dxz 0.009321 -0.045035 0.122638 -0.017141 -0.147460 -0.088569 9C 2dyz 0.000780 0.373449 -0.035352 -0.038631 -0.333536 -0.124573 9C 2dx2y2 -0.520677 -0.052172 -0.324596 -0.584697 -0.065028 0.069905 9C 2dxy -0.183026 0.220822 -0.220008 0.017829 0.379994 -0.054858 9C 1f0 -0.020389 0.062896 -0.044735 0.063361 0.190802 -0.040938 9C 1f+1 -0.054014 -0.064451 -0.036190 0.004016 0.063915 0.086978 9C 1f-1 -0.006813 -0.049173 0.016411 -0.131321 -0.063269 -0.025183 9C 1f+2 0.049617 0.116050 0.017613 0.051927 0.066098 0.028005 9C 1f-2 0.018658 0.029555 -0.031665 0.069822 0.081905 0.170060 9C 1f+3 0.042300 -0.042007 -0.017047 0.051765 0.063969 -0.010631 9C 1f-3 -0.086476 0.040375 -0.073698 -0.052500 0.065180 0.044479 10H 1s 0.029548 0.050592 0.024623 0.185987 0.026594 -0.031198 10H 2s 0.435029 0.336222 0.283814 -0.061758 0.379169 0.016971 10H 3s 0.054601 -0.090307 0.053565 0.029922 0.104186 0.127510 10H 1pz 0.130811 0.037972 0.108741 0.000268 0.087633 0.019752 10H 1px -0.070072 -0.086964 -0.053719 0.148095 -0.049193 0.034265 10H 1py 0.066271 0.136838 0.037005 -0.137984 0.132580 0.045755 11H 1s -0.018339 -0.140943 0.019250 0.085655 -0.060097 0.000748 11H 2s -0.113262 -0.018724 -0.110548 0.110698 -0.153907 -0.231765 11H 3s 0.052732 -0.105772 0.038445 0.005258 -0.043014 0.111743 11H 1pz -0.034977 0.039156 -0.035108 0.183618 -0.056357 -0.110991 11H 1px -0.046612 0.004215 -0.014551 -0.165127 -0.012425 -0.088600 11H 1py -0.055313 -0.083480 0.000856 0.066436 -0.082339 -0.017717 12H 1s -0.036900 0.039162 -0.003848 -0.290122 0.070317 -0.005890 12H 2s -0.077498 0.033255 -0.084393 -0.169850 -0.045925 -0.182120 12H 3s 0.028763 0.029332 0.042701 -0.207578 0.090221 0.074896 12H 1pz -0.068867 -0.008221 -0.056809 -0.081203 -0.006771 -0.015507 12H 1px -0.014313 -0.022795 -0.026568 -0.040226 -0.027683 0.003445 12H 1py 0.018768 0.033965 -0.004162 0.098119 -0.014578 -0.116714 13H 1s -0.113815 0.126130 0.138707 0.015898 0.035704 0.015149 13H 2s -0.563011 -0.432128 -0.104687 0.131202 0.341235 -0.210415 13H 3s -0.074170 -0.002374 0.076185 0.044200 -0.094174 -0.028451 13H 1pz -0.116782 -0.265654 -0.129747 0.042274 0.178388 -0.092234 13H 1px 0.033591 0.084893 0.060666 -0.006226 0.018899 -0.053449 13H 1py 0.157840 0.078919 0.007419 -0.024167 -0.022247 0.063019 14H 1s 0.124308 -0.237065 -0.146126 0.014766 0.060449 0.017193 14H 2s 0.006706 -0.149073 -0.051254 0.034732 0.048071 0.162214 14H 3s 0.071748 -0.239351 -0.112420 0.050480 -0.002236 -0.017150 14H 1pz -0.090300 0.043820 0.080479 0.030501 0.024605 0.082879 14H 1px -0.062393 0.007551 0.012876 0.003046 0.011379 0.048435 14H 1py -0.106179 0.058587 0.040532 0.002585 0.001525 -0.007625 15H 1s 0.034826 0.065124 0.027168 -0.017053 -0.141341 0.041249 15H 2s 0.229136 0.195508 0.109371 -0.117690 -0.125752 0.391449 15H 3s -0.043814 0.021148 -0.052513 0.010597 -0.078155 -0.066831 15H 1pz 0.010317 0.183787 0.088275 0.012098 -0.061138 0.008196 15H 1px 0.143355 -0.070486 -0.069160 -0.014419 -0.064546 0.118470 15H 1py -0.056256 -0.180995 -0.114625 0.031461 0.007141 -0.172581 16H 1s 0.035523 -0.003350 0.021275 -0.025911 0.049690 0.012917 16H 2s -0.160849 0.012086 -0.148514 0.115028 -0.384264 -0.062659 16H 3s 0.006268 -0.063305 0.030904 -0.049213 0.120892 0.002701 16H 1pz -0.048658 0.002940 -0.047707 0.031129 -0.096567 -0.007026 16H 1px 0.010352 0.012870 0.011278 -0.005406 -0.006424 0.014967 16H 1py -0.011355 -0.004576 -0.011773 0.010995 -0.005219 -0.005298 17H 1s -0.025040 0.028296 -0.017024 -0.006854 0.030434 0.018835 17H 2s 0.034728 -0.031898 0.019341 0.039533 -0.357211 0.021423 17H 3s -0.014349 0.085789 -0.016831 -0.018160 0.088132 0.010946 17H 1pz 0.001615 -0.002673 0.007417 -0.004851 0.075239 -0.012416 17H 1px -0.006571 -0.016668 -0.007304 0.004868 0.062521 -0.010850 17H 1py 0.007890 0.014054 0.012208 -0.001234 -0.025066 0.010263 18H 1s -0.025426 -0.031454 0.002031 0.012895 -0.027632 -0.018024 18H 2s -0.014219 0.027637 -0.007158 -0.209077 0.300144 -0.019121 18H 3s -0.012511 -0.080733 0.040039 0.039788 -0.078897 -0.009958 18H 1pz -0.014727 -0.007987 -0.006211 -0.048216 0.062402 -0.012091 18H 1px -0.004343 -0.011222 0.015273 -0.047155 0.045876 -0.009712 18H 1py -0.003405 0.004281 -0.017362 0.017427 -0.017097 0.009325 19H 1s 0.039204 0.018072 0.014168 0.014564 -0.053245 -0.013236 19H 2s -0.231745 -0.113887 -0.112889 -0.181529 0.363204 0.067387 19H 3s 0.022577 0.068820 -0.011424 0.047545 -0.122010 -0.001104 19H 1pz 0.073521 0.035438 0.037539 0.044904 -0.092234 -0.008969 19H 1px -0.010604 0.002084 -0.015806 0.007263 -0.001494 0.016556 19H 1py 0.018288 0.005244 0.012528 -0.001924 -0.013789 -0.006420 20H 1s 0.042830 -0.034112 0.061242 -0.102543 0.095436 -0.044636 20H 2s 0.238581 -0.082133 0.190072 -0.163464 0.020413 -0.410593 20H 3s -0.037802 -0.048734 -0.025685 -0.039434 0.064018 0.072807 20H 1pz -0.013492 0.093932 -0.178213 0.033396 -0.053364 0.007986 20H 1px -0.134978 -0.017828 0.103046 0.051838 -0.039635 0.120873 20H 1py 0.058157 -0.073955 0.193823 -0.027055 -0.014400 -0.180673 21H 1s 0.116782 0.103412 -0.261511 0.053341 -0.035316 -0.013484 21H 2s 0.004268 0.086864 -0.131475 0.053316 -0.008076 -0.176471 21H 3s 0.072320 0.122717 -0.233906 0.046962 0.032880 0.026878 21H 1pz 0.094873 -0.010205 -0.090848 -0.035646 -0.003889 0.089820 21H 1px 0.053918 -0.000454 -0.016414 -0.009013 0.004600 0.055296 21H 1py 0.103444 0.023940 -0.068779 -0.003171 -0.000977 -0.006910 22H 1s -0.110787 -0.019842 0.186647 0.034129 -0.015161 -0.018771 22H 2s -0.573456 0.269738 -0.318818 0.321420 -0.167419 0.216724 22H 3s -0.057083 0.047188 0.056869 -0.020100 0.101851 0.032066 22H 1pz 0.122514 -0.130786 0.255664 -0.149263 0.106043 -0.097694 22H 1px -0.039945 0.031204 -0.098213 -0.006529 0.018634 -0.055219 22H 1py -0.158268 0.055984 -0.046952 0.032648 0.000440 0.063829 23H 1s -0.060837 -0.028385 0.017283 -0.177820 -0.246164 0.001352 23H 2s -0.119884 -0.070819 -0.060190 -0.175561 -0.085501 0.199378 23H 3s 0.021016 0.001475 0.052153 -0.097073 -0.201103 -0.090817 23H 1pz 0.085556 0.028464 0.051580 0.068969 0.051697 -0.012118 23H 1px 0.026773 -0.004493 0.038605 0.051974 0.004829 0.002345 23H 1py -0.020001 0.029097 -0.013620 -0.058487 -0.072296 -0.131286 24H 1s -0.024465 0.125352 -0.071580 0.028087 0.107527 0.001710 24H 2s -0.167488 -0.048239 -0.112103 -0.041627 0.176862 0.255290 24H 3s 0.066313 0.108643 -0.032583 -0.013543 0.041870 -0.123323 24H 1pz 0.037661 0.055030 0.004303 -0.091833 -0.155147 -0.123315 24H 1px 0.075652 0.008153 0.014430 0.139294 0.102453 -0.093277 24H 1py 0.068682 -0.067641 0.052917 0.008496 -0.104245 -0.015046 25H 1s 0.051445 -0.030050 0.055018 0.157215 0.098726 0.040019 25H 2s 0.534627 -0.091946 0.442746 0.232884 -0.304210 -0.003049 25H 3s 0.068385 0.101162 -0.010868 0.093255 -0.060147 -0.133697 25H 1pz -0.158852 -0.038121 -0.112570 -0.069549 0.055614 0.015297 25H 1px 0.069840 -0.033210 0.094081 -0.078080 -0.130907 0.036709 25H 1py -0.080634 0.085734 -0.114973 0.013827 0.187770 0.048102 26O 1s -0.009635 0.015963 -0.004291 0.009372 -0.017645 0.025481 26O 2s -0.037634 0.052969 -0.017356 0.034859 -0.063468 0.084478 26O 3s 0.385117 -0.349639 0.179684 -0.284366 0.540094 -0.552599 26O 4s -1.204118 0.392994 -0.604257 0.576120 -1.267393 0.581755 26O 5s 1.387520 -1.012273 0.921661 -1.396527 1.172189 -1.306721 26O 1pz -0.109932 -0.228560 -0.086452 -0.318944 -0.007105 0.108802 26O 1px 0.195233 0.076918 0.108830 -0.026127 0.149772 0.078053 26O 1py -0.008806 -0.150210 -0.010089 -0.121497 0.051942 0.039235 26O 2pz 0.312850 0.539099 0.215324 0.784780 0.075885 -0.243464 26O 2px -0.168834 0.005603 -0.135592 0.079893 -0.226794 0.155856 26O 2py 0.166304 0.427563 0.065140 0.281815 -0.023030 0.059057 26O 3pz 0.460637 -0.284934 0.239972 -0.564045 0.626065 0.113200 26O 3px -0.126688 0.105411 -0.040625 0.179238 0.378821 0.413253 26O 3py 0.233303 -0.196524 0.200200 -0.218975 0.546367 0.130994 26O 1dz2 -0.004017 -0.004253 -0.001577 -0.005788 0.001702 -0.005544 26O 1dxz -0.006178 -0.007863 -0.006801 -0.002528 -0.000028 -0.000219 26O 1dyz 0.004046 -0.001880 0.003078 -0.006464 0.005003 -0.001392 26O 1dx2y2 0.015755 0.006974 0.005971 0.007898 0.004572 0.004986 26O 1dxy 0.009275 0.000584 -0.001767 -0.016784 0.005601 0.010045 26O 2dz2 0.010259 -0.025914 0.008831 -0.049241 -0.007789 0.072685 26O 2dxz -0.116488 -0.116444 -0.077878 -0.230621 -0.029832 0.151441 26O 2dyz 0.000960 -0.042370 0.016538 -0.181208 0.016475 0.043464 26O 2dx2y2 0.096204 0.114710 0.034023 -0.006420 0.072553 -0.071587 26O 2dxy -0.020735 -0.111604 -0.009846 0.077529 -0.036238 -0.058204 26O 1f0 -0.006121 0.000405 -0.002737 0.019505 -0.018714 -0.020138 26O 1f+1 -0.010135 -0.017218 0.001145 0.018742 -0.015917 -0.008541 26O 1f-1 -0.000287 0.004050 0.003041 -0.003708 -0.001578 -0.020627 26O 1f+2 0.004300 -0.017791 -0.001276 0.005503 0.007527 0.029496 26O 1f-2 0.005322 0.007772 0.007412 -0.034194 0.018038 0.012746 26O 1f+3 -0.000812 -0.017184 0.002429 0.031421 0.001866 -0.003071 26O 1f-3 -0.018896 -0.003374 -0.012135 -0.045129 -0.003179 -0.012351 27O 1s 0.002251 0.026905 -0.000761 -0.014639 0.020797 -0.034186 27O 2s 0.012481 0.097808 0.000984 -0.053111 0.068777 -0.113608 27O 3s -0.218478 -0.830461 -0.064612 0.465630 -0.451029 0.735050 27O 4s 1.011363 1.991210 0.361047 -1.189418 0.550069 -0.745655 27O 5s -0.771410 -2.287026 -0.693507 0.908147 -1.583888 2.394103 27O 1pz 0.189134 -0.072813 -0.021759 -0.052976 -0.172936 0.084012 27O 1px -0.212097 -0.155552 -0.049832 0.086474 0.043603 -0.057446 27O 1py -0.258578 0.240297 0.171317 0.016265 0.202638 0.026429 27O 2pz -0.427554 0.160645 0.050829 0.121173 0.414990 -0.193356 27O 2px 0.079947 0.117490 -0.044945 0.017807 0.161596 -0.418245 27O 2py 0.731645 -0.500763 -0.398075 -0.113229 -0.543310 0.047573 27O 3pz -0.218401 -0.567495 -0.136979 0.190235 -0.302102 0.206164 27O 3px -0.064793 -0.124420 0.168866 0.156337 0.383379 -0.629189 27O 3py 0.230488 0.883127 0.233819 -0.287519 0.246653 -0.034655 27O 1dz2 0.008736 0.011477 0.010541 -0.004494 -0.007333 0.010601 27O 1dxz 0.016621 -0.007936 -0.008853 -0.001394 -0.005077 -0.001807 27O 1dyz 0.003876 0.013417 0.006715 -0.004722 0.000378 -0.001178 27O 1dx2y2 -0.016456 -0.001108 -0.005922 0.002734 0.009476 -0.015064 27O 1dxy -0.003129 0.001045 0.001935 0.002780 -0.000655 -0.003036 27O 2dz2 0.033487 -0.015072 -0.027072 0.009274 0.046113 -0.057290 27O 2dxz 0.114420 0.082716 0.072578 -0.070185 -0.178008 0.050133 27O 2dyz 0.034995 0.097479 0.035576 -0.028408 0.035144 -0.046912 27O 2dx2y2 -0.090237 0.091860 0.105081 0.003849 0.018893 0.165577 27O 2dxy -0.234387 0.159222 0.146015 0.083150 0.115293 0.080519 27O 1f0 0.013130 -0.013152 -0.020048 -0.000341 0.008661 -0.013043 27O 1f+1 0.031303 -0.026567 -0.019909 -0.005415 0.001633 0.015006 27O 1f-1 -0.005044 -0.002544 -0.002474 0.002512 -0.002840 -0.021118 27O 1f+2 -0.005285 0.033139 0.028076 -0.006214 -0.018694 -0.001839 27O 1f-2 -0.000051 0.017474 0.004947 -0.001890 -0.010416 -0.014945 27O 1f+3 0.018915 -0.000790 -0.000447 -0.006065 -0.022462 0.011250 27O 1f-3 -0.007900 -0.042916 -0.019294 0.008030 0.012509 -0.042746 28O 1s -0.013265 0.014102 -0.021134 0.011475 -0.026586 -0.033821 28O 2s -0.050633 0.045038 -0.078102 0.038586 -0.095322 -0.115469 28O 3s 0.526488 -0.236920 0.724388 -0.241279 0.849071 0.823730 28O 4s -1.868760 -0.121141 -2.054689 0.045118 -2.373356 -1.278624 28O 5s 1.060612 -1.166792 1.525411 -2.039170 1.176121 2.488251 28O 1pz -0.031264 -0.176337 0.077647 -0.124065 0.078613 0.042445 28O 1px -0.072058 -0.113789 -0.120857 0.070645 -0.033899 0.001114 28O 1py -0.039301 -0.091154 0.010188 -0.132249 0.082256 -0.008584 28O 2pz 0.419112 0.697721 0.153585 0.432169 0.185071 -0.264250 28O 2px -0.256599 -0.060832 -0.084174 -0.405192 -0.314530 0.233417 28O 2py 0.139409 0.227993 0.030164 0.420116 -0.158868 0.014801 28O 3pz 0.074668 -0.191466 0.441510 -0.083657 0.447299 0.081392 28O 3px 0.283625 -0.278054 0.108381 -0.537016 0.102264 0.545713 28O 3py 0.145904 -0.252266 0.352570 -0.167190 0.263662 0.169053 28O 1dz2 -0.001397 0.002147 0.001005 -0.008361 0.003236 0.001163 28O 1dxz -0.002920 -0.007614 -0.006242 0.007687 0.003160 0.008852 28O 1dyz 0.007501 -0.003928 0.007247 0.009208 0.001831 0.006140 28O 1dx2y2 0.005451 0.003061 0.007403 0.001923 -0.002066 -0.004573 28O 1dxy 0.005019 0.008509 0.001303 -0.005464 0.008393 0.000374 28O 2dz2 -0.041162 -0.168922 -0.090627 0.107939 -0.046838 -0.024831 28O 2dxz 0.051867 0.091430 0.068469 -0.001415 0.068049 -0.052988 28O 2dyz 0.052295 -0.020267 0.018430 -0.099982 0.078431 -0.010659 28O 2dx2y2 0.051730 0.070702 0.050716 -0.052682 0.016621 0.107848 28O 2dxy 0.098782 0.027860 0.065097 0.203896 -0.008645 0.084079 28O 1f0 -0.005954 -0.019959 -0.009664 0.008473 -0.009374 0.006608 28O 1f+1 -0.004099 0.015406 -0.005396 -0.018277 -0.010719 0.015324 28O 1f-1 0.013045 0.014672 0.002370 0.008791 0.013900 0.014846 28O 1f+2 0.018385 0.019108 0.018204 -0.003833 0.019099 -0.013000 28O 1f-2 -0.001489 -0.010014 -0.004743 0.007453 -0.015175 0.021380 28O 1f+3 0.017503 0.019733 0.012396 0.022379 0.007770 0.002782 28O 1f-3 0.010123 0.003112 -0.001082 0.020875 -0.002120 0.008845 29O 1s -0.000028 -0.001178 -0.003096 0.002513 -0.016356 -0.001278 29O 2s 0.000245 -0.004444 -0.010511 0.008581 -0.056183 -0.004749 29O 3s -0.011340 0.039743 0.072837 -0.057624 0.399207 0.040243 29O 4s 0.037003 -0.084788 -0.137343 0.078490 -0.739744 -0.079685 29O 5s 0.042099 0.076383 0.276343 -0.108824 1.355748 0.088173 29O 1pz -0.016591 -0.014287 0.004208 -0.014641 0.035628 -0.000501 29O 1px -0.005672 -0.004039 -0.008760 0.027605 -0.081740 0.008460 29O 1py 0.000874 0.004574 0.008428 0.003693 0.030049 0.001243 29O 2pz -0.013564 0.013747 -0.052215 0.059604 -0.099985 -0.016711 29O 2px 0.010826 -0.001277 0.018400 -0.060892 0.241161 -0.023018 29O 2py -0.013094 0.002605 -0.031507 0.001507 -0.126038 0.003350 29O 3pz -0.090879 0.050339 -0.021848 -0.015894 0.070861 -0.030560 29O 3px -0.010328 -0.007075 -0.076405 0.047900 -0.375918 -0.026559 29O 3py -0.049597 -0.038516 -0.016552 0.079619 -0.278892 -0.019694 29O 1dz2 -0.001823 0.002945 -0.002130 0.001272 -0.000641 0.000288 29O 1dxz 0.000804 -0.003384 0.002099 0.000458 0.001221 0.000231 29O 1dyz -0.001152 -0.002308 -0.001166 0.003292 -0.001669 -0.000109 29O 1dx2y2 0.000338 -0.001789 0.000321 -0.001397 0.002778 0.000760 29O 1dxy 0.002009 0.000994 -0.001657 -0.001544 0.005358 0.000650 29O 2dz2 0.006658 0.012904 0.005370 -0.004956 0.012239 0.004006 29O 2dxz 0.006919 -0.029389 0.005954 -0.002318 0.025376 -0.006021 29O 2dyz 0.015757 -0.000774 0.020445 -0.002430 0.000637 0.010675 29O 2dx2y2 -0.004004 -0.007835 -0.000734 0.001427 -0.000492 0.001206 29O 2dxy 0.004916 0.020238 -0.008481 -0.007533 -0.018093 0.017810 29O 1f0 -0.001518 -0.000595 -0.001612 0.001816 -0.010323 -0.001215 29O 1f+1 0.000951 0.005506 0.000332 -0.000073 0.004096 0.001320 29O 1f-1 -0.005784 -0.001434 -0.002438 0.005441 -0.008157 -0.002158 29O 1f+2 0.000694 -0.003434 0.004138 0.000575 0.004310 0.000169 29O 1f-2 0.004093 -0.001322 0.003276 0.001596 -0.006057 -0.002222 29O 1f+3 -0.002493 0.002899 -0.000781 0.001877 -0.001778 0.000389 29O 1f-3 -0.003994 -0.000903 -0.000805 0.000207 0.000124 0.001539 30O 1s 0.020553 0.021199 -0.002141 -0.001137 0.014728 0.025763 30O 2s 0.078844 0.076294 -0.007679 -0.006314 0.048235 0.089574 30O 3s -0.827561 -0.654627 0.086729 0.111821 -0.275553 -0.698790 30O 4s 2.922403 1.558596 -0.393362 -0.586273 -0.032860 1.401970 30O 5s -0.930678 -2.037447 -0.995640 0.143369 -1.513406 -1.047786 30O 1pz 0.031618 -0.204005 -0.046643 0.004094 -0.067954 0.059748 30O 1px 0.131062 0.074976 0.062846 -0.077696 -0.091396 0.028946 30O 1py -0.034823 0.092968 -0.019884 0.031736 0.205539 -0.010348 30O 2pz -0.547652 0.423013 0.240294 0.094999 0.338870 -0.196740 30O 2px 0.335253 -0.007583 -0.252113 0.015201 -0.105724 -0.065574 30O 2py 0.556583 -0.032598 -0.028623 -0.205171 -0.729796 0.092347 30O 3pz -0.173055 -0.277062 0.200525 0.263971 -0.266627 -0.014505 30O 3px -0.165584 -0.364849 -0.346518 -0.134966 -0.299781 -0.143731 30O 3py 0.333676 0.526273 -0.135500 -0.197552 0.342341 0.156328 30O 1dz2 0.006080 0.010702 0.004911 -0.000370 -0.008628 -0.002131 30O 1dxz 0.007519 -0.004823 0.001499 0.001052 0.003809 0.000802 30O 1dyz 0.012178 0.003917 -0.002155 -0.001174 0.005268 0.002376 30O 1dx2y2 -0.005897 0.002783 -0.001579 0.003657 0.008317 0.001094 30O 1dxy 0.007360 -0.011576 -0.007812 -0.000319 0.003102 0.009008 30O 2dz2 0.176203 -0.149357 -0.081195 0.002370 0.023649 0.136355 30O 2dxz -0.092451 0.132504 0.103538 0.008937 -0.023453 -0.005623 30O 2dyz -0.010287 0.019294 -0.001443 0.014564 0.077464 -0.055330 30O 2dx2y2 -0.111897 -0.079079 -0.060803 0.048266 0.145196 -0.125876 30O 2dxy 0.107889 0.133424 0.057919 -0.050957 -0.133260 0.015066 30O 1f0 0.038132 -0.007705 -0.010467 -0.007520 -0.019564 0.020372 30O 1f+1 -0.027670 0.024058 0.013701 -0.002661 0.001196 -0.017868 30O 1f-1 0.002594 0.009528 -0.004527 -0.002017 -0.010859 -0.014379 30O 1f+2 -0.002968 -0.006226 -0.005352 -0.000380 0.007467 0.010518 30O 1f-2 -0.023766 -0.023795 0.002709 0.012707 0.015118 0.009971 30O 1f+3 -0.013083 -0.003067 -0.012903 0.000507 0.031023 -0.024304 30O 1f-3 -0.019978 -0.009685 0.001346 0.002088 0.006852 -0.003586 31O 1s 0.016876 -0.018068 0.010404 0.007461 -0.012198 -0.026258 31O 2s 0.066192 -0.064878 0.037359 0.022204 -0.041753 -0.091209 31O 3s -0.733074 0.565298 -0.300605 -0.060994 0.292179 0.708860 31O 4s 2.744493 -1.434846 0.546726 -0.530750 -0.389299 -1.410042 31O 5s -0.744498 1.030686 -2.006884 -0.743171 1.239354 1.071490 31O 1pz -0.044609 -0.136176 0.159512 0.031633 -0.057692 0.063567 31O 1px -0.148284 0.016656 -0.090521 0.115227 -0.017134 0.031490 31O 1py 0.057975 0.091458 -0.042222 -0.147316 0.136904 -0.016454 31O 2pz 0.573734 0.205337 -0.457261 -0.267549 0.198362 -0.200277 31O 2px -0.293292 0.145441 0.210781 0.063842 -0.086148 -0.079649 31O 2py -0.610123 -0.030954 0.061646 0.603383 -0.417319 0.101669 31O 3pz 0.184754 -0.334002 0.002298 -0.027521 -0.385110 -0.009547 31O 3px 0.108695 -0.089029 0.498477 0.261234 -0.132324 -0.147951 31O 3py -0.327702 0.495230 -0.199719 -0.055031 0.403080 0.155477 31O 1dz2 0.006125 -0.005421 0.010234 -0.006123 0.006186 0.002015 31O 1dxz 0.008235 0.004731 -0.001770 0.003673 -0.002095 -0.000418 31O 1dyz 0.012387 -0.004255 0.000461 0.002374 -0.004757 -0.002111 31O 1dx2y2 -0.005853 -0.003437 0.000578 0.008004 -0.003901 -0.001128 31O 1dxy 0.006357 0.004727 -0.013367 0.001862 -0.002529 -0.009530 31O 2dz2 0.170736 0.072770 -0.157675 0.020697 -0.014675 -0.139523 31O 2dxz -0.087162 -0.044305 0.162556 -0.011210 0.023304 0.003629 31O 2dyz -0.017775 -0.017378 0.013329 0.056236 -0.048915 0.057355 31O 2dx2y2 -0.122059 0.021494 -0.089912 0.127386 -0.077671 0.132177 31O 2dxy 0.113519 -0.067741 0.121645 -0.125364 0.066181 -0.018029 31O 1f0 -0.037914 -0.000718 0.014200 0.017802 -0.009818 0.020766 31O 1f+1 0.026496 0.011263 -0.026011 0.002107 0.002707 -0.017971 31O 1f-1 -0.002126 0.010110 -0.002129 0.009140 -0.006512 -0.014739 31O 1f+2 0.004024 -0.001666 0.008004 -0.004674 0.005786 0.011075 31O 1f-2 0.024480 -0.019997 0.011374 -0.019721 0.002545 0.010387 31O 1f+3 0.013344 0.005763 0.011494 -0.020011 0.023358 -0.025397 31O 1f-3 0.020361 -0.008259 0.004263 -0.005656 0.003439 -0.002891 32O 1s -0.002624 -0.001276 -0.003274 -0.009200 0.013884 0.001329 32O 2s -0.008465 -0.003952 -0.011356 -0.031582 0.047618 0.004890 32O 3s 0.046140 0.019363 0.083593 0.225638 -0.335253 -0.040430 32O 4s -0.060194 -0.023948 -0.163916 -0.437310 0.600928 0.078669 32O 5s 0.241069 0.124498 0.279989 0.837961 -1.085294 -0.093415 32O 1pz 0.008599 -0.013932 0.004609 -0.013540 0.035935 -0.000096 32O 1px 0.020285 0.003306 0.011216 0.034429 -0.080512 0.008661 32O 1py -0.006215 -0.000732 -0.010499 -0.023546 0.020086 0.002505 32O 2pz 0.040398 0.044483 0.034299 0.024251 -0.109803 -0.019033 32O 2px -0.052942 -0.016655 -0.019122 -0.118370 0.225337 -0.022457 32O 2py 0.040959 0.022964 0.027879 0.086728 -0.097218 -0.001028 32O 3pz 0.081675 0.055468 -0.015175 -0.032812 0.066225 -0.030070 32O 3px 0.061868 0.040457 0.070894 0.218420 -0.310788 -0.025979 32O 3py 0.082009 -0.012398 0.037822 0.126351 -0.263848 -0.020808 32O 1dz2 -0.002397 -0.003656 -0.000083 0.000276 0.001278 -0.000180 32O 1dxz 0.000932 0.003986 -0.000421 0.001330 -0.000529 -0.000154 32O 1dyz -0.001529 0.001008 -0.002291 0.001453 0.003256 0.000237 32O 1dx2y2 0.000833 0.001699 -0.000859 0.001012 -0.002978 -0.000793 32O 1dxy 0.001873 -0.001723 -0.000710 0.002266 -0.005203 -0.000628 32O 2dz2 0.012345 -0.005661 0.010621 0.005659 -0.012538 -0.004252 32O 2dxz 0.011836 0.028310 -0.012860 0.018135 -0.021513 0.005553 32O 2dyz 0.020997 0.013825 0.016171 -0.000128 -0.001857 -0.010777 32O 2dx2y2 -0.005309 0.005054 -0.005805 0.001723 0.001521 -0.000487 32O 2dxy -0.004758 -0.021860 0.003473 -0.019376 0.009320 -0.017231 32O 1f0 0.002188 0.000875 0.001333 0.005406 -0.008338 -0.001046 32O 1f+1 -0.001279 0.004034 -0.003464 -0.002662 0.003357 0.001394 32O 1f-1 0.006499 0.000729 0.002680 0.001561 -0.009980 -0.002258 32O 1f+2 -0.001551 -0.005307 -0.001231 -0.003684 0.003246 0.000312 32O 1f-2 -0.004037 -0.002944 -0.002064 0.002445 -0.005417 -0.002017 32O 1f+3 0.002745 0.002810 -0.001253 0.000093 -0.002710 0.000323 32O 1f-3 0.003418 -0.000315 0.001279 -0.000337 -0.000225 0.001512 33O 1s -0.015863 -0.023841 -0.008525 -0.010232 0.026857 0.035055 33O 2s -0.060489 -0.082548 -0.035856 -0.038559 0.094556 0.119322 33O 3s 0.632093 0.623504 0.445354 0.418663 -0.774358 -0.839417 33O 4s -2.271356 -1.141447 -1.763856 -1.636705 1.753209 1.235463 33O 5s 1.025248 1.877841 0.464914 -0.709262 -2.178475 -2.601239 33O 1pz 0.043434 -0.190280 0.046011 0.041604 0.140653 0.036107 33O 1px 0.075259 -0.015190 0.163245 -0.030213 -0.064684 0.003972 33O 1py 0.055564 -0.082113 0.049852 0.049937 0.150344 -0.012475 33O 2pz -0.534702 0.467400 -0.562400 -0.459766 -0.154842 -0.287688 33O 2px 0.356843 -0.000703 0.126283 0.524393 0.022655 0.274336 33O 2py -0.196974 0.172090 -0.173190 -0.226944 -0.401552 0.017371 33O 3pz -0.128626 -0.413370 -0.249139 -0.254719 0.371922 0.066243 33O 3px -0.254331 -0.299459 0.096220 0.333147 0.431624 0.579503 33O 3py -0.164983 -0.417071 -0.129101 -0.058891 0.295148 0.172126 33O 1dz2 -0.002171 -0.001124 0.002005 -0.004304 -0.008084 -0.001161 33O 1dxz -0.001260 0.001791 -0.009281 0.008477 0.002641 -0.010003 33O 1dyz 0.008972 0.007219 0.003657 0.008731 0.004910 -0.006233 33O 1dx2y2 0.006230 0.002256 0.007826 0.000107 0.003052 0.005312 33O 1dxy 0.005554 -0.006031 0.006223 0.001265 -0.010019 -0.000728 33O 2dz2 -0.043428 0.077989 -0.173625 0.049580 0.100502 0.027202 33O 2dxz 0.070782 -0.031874 0.114045 0.046607 -0.048963 0.057361 33O 2dyz 0.051687 0.028727 0.001363 -0.024732 -0.125785 0.009966 33O 2dx2y2 0.055478 -0.025945 0.082613 -0.025004 -0.042808 -0.115364 33O 2dxy 0.132845 0.013096 0.074287 0.156963 0.144412 -0.086704 33O 1f0 0.006530 -0.009696 0.019696 -0.000566 -0.012448 0.007855 33O 1f+1 0.006679 0.015613 -0.004616 0.021366 0.004290 0.017116 33O 1f-1 -0.018308 0.010798 -0.011658 -0.016997 0.004379 0.015797 33O 1f+2 -0.022179 0.003780 -0.026765 -0.010362 0.016216 -0.015622 33O 1f-2 0.001690 -0.004833 0.010028 0.003698 -0.016471 0.022331 33O 1f+3 -0.022382 0.008468 -0.022520 -0.022844 -0.009681 0.001842 33O 1f-3 -0.014576 0.003635 -0.001586 -0.015528 -0.015618 0.009164 34O 1s 0.003208 -0.021718 0.015839 0.000881 -0.025593 0.034660 34O 2s 0.015993 -0.076575 0.060280 -0.000862 -0.087703 0.114882 34O 3s -0.252265 0.612589 -0.550015 0.097583 0.651842 -0.734956 34O 4s 1.119177 -1.326615 1.454331 -0.601752 -1.202118 0.698149 34O 5s -0.738782 1.397485 -1.947134 -0.167773 1.802118 -2.433485 34O 1pz -0.193063 -0.050584 0.067023 0.148194 -0.096629 0.085540 34O 1px 0.208379 -0.088768 0.126844 -0.100593 -0.022767 -0.064723 34O 1py 0.259913 0.094753 -0.284136 -0.135706 0.139916 0.033172 34O 2pz 0.435187 0.110342 -0.151080 -0.351822 0.235807 -0.197152 34O 2px -0.032279 0.125980 -0.042334 -0.085008 0.113293 -0.440871 34O 2py -0.740665 -0.179506 0.631930 0.414758 -0.330481 0.041093 34O 3pz 0.205419 -0.365951 0.448631 0.026695 -0.356854 0.203263 34O 3px 0.034697 -0.188755 -0.080852 -0.355210 0.184125 -0.652159 34O 3py -0.188371 0.558003 -0.707061 0.098606 0.377615 -0.024442 34O 1dz2 0.008949 -0.002549 0.014810 -0.008176 0.002802 -0.011270 34O 1dxz 0.016553 0.001359 -0.012023 -0.004216 0.002786 0.001935 34O 1dyz 0.004051 -0.006576 0.013226 -0.003716 -0.003437 0.001020 34O 1dx2y2 -0.016407 -0.002988 -0.004869 0.007995 -0.005628 0.016144 34O 1dxy -0.004450 0.000180 0.002187 0.001265 0.002272 0.003042 34O 2dz2 0.029928 -0.004567 -0.030261 0.034047 -0.029376 0.060928 34O 2dxz 0.123855 -0.018010 0.101519 -0.168439 0.089702 -0.055205 34O 2dyz 0.036181 -0.055650 0.086710 -0.001554 -0.046545 0.048264 34O 2dx2y2 -0.089457 -0.011423 0.136880 0.017581 -0.009676 -0.172777 34O 2dxy -0.238999 -0.046120 0.214946 0.131631 -0.030650 -0.084298 34O 1f0 -0.011994 0.001460 0.023557 -0.005118 0.007067 -0.013582 34O 1f+1 -0.031704 -0.010120 0.032811 0.002118 0.004665 0.015723 34O 1f-1 0.005195 -0.000481 0.003165 0.000348 -0.003597 -0.021610 34O 1f+2 0.001736 0.009380 -0.041774 0.016449 -0.010137 -0.001479 34O 1f-2 -0.001838 0.010873 -0.014409 0.008142 -0.006168 -0.015668 34O 1f+3 -0.019918 -0.001149 0.001425 0.018488 -0.013023 0.012254 34O 1f-3 0.007924 -0.022305 0.040025 -0.014427 0.004424 -0.045012 35O 1s -0.011177 -0.015933 0.006171 -0.004510 0.019455 -0.026519 35O 2s -0.043852 -0.054871 0.017894 -0.015732 0.070404 -0.087606 35O 3s 0.455329 0.402747 -0.062614 0.152691 -0.583646 0.563526 35O 4s -1.436768 -0.700967 -0.269963 -0.468156 1.276308 -0.538084 35O 5s 1.458996 1.431495 0.104998 -0.299243 -1.797007 1.366029 35O 1pz 0.147841 -0.134630 0.213186 0.242789 0.201831 0.127077 35O 1px -0.242597 -0.004059 -0.139373 -0.091483 0.123672 0.084086 35O 1py 0.014034 -0.117113 0.102037 0.054953 0.117178 0.050967 35O 2pz -0.419489 0.312153 -0.515518 -0.642332 -0.456838 -0.281151 35O 2px 0.203842 0.092657 0.106541 0.083638 -0.234291 0.191484 35O 2py -0.217124 0.313296 -0.325637 -0.209304 -0.210528 0.055297 35O 3pz -0.490756 -0.387736 -0.015485 -0.007140 0.828721 0.126757 35O 3px 0.070217 0.123412 -0.045937 -0.414543 0.155999 0.436611 35O 3py -0.270459 -0.282056 -0.043177 -0.214898 0.542970 0.146589 35O 1dz2 -0.005128 0.002746 -0.004094 -0.003485 -0.005182 0.006366 35O 1dxz -0.007082 0.002379 -0.010453 -0.002231 -0.001721 0.000013 35O 1dyz 0.004264 0.003737 0.001172 -0.001554 -0.007695 0.001505 35O 1dx2y2 0.018641 -0.002070 0.009330 0.009620 0.002308 -0.005684 35O 1dxy 0.010339 -0.001383 -0.000822 -0.008099 -0.014795 -0.011396 35O 2dz2 0.001368 0.026949 -0.010048 -0.038949 -0.021845 -0.077872 35O 2dxz -0.152314 0.046979 -0.136397 -0.193785 -0.129408 -0.165055 35O 2dyz -0.023171 0.047772 -0.016160 -0.127288 -0.129676 -0.048101 35O 2dx2y2 0.117914 -0.071396 0.100581 0.044339 -0.058484 0.080372 35O 2dxy -0.024982 0.084774 -0.078000 0.030835 0.075157 0.062504 35O 1f0 0.007585 0.001758 0.002352 -0.001337 -0.026494 -0.021663 35O 1f+1 0.013390 -0.014729 0.010213 -0.002803 -0.024340 -0.010558 35O 1f-1 0.001442 0.000954 -0.004678 0.004295 0.001103 -0.022309 35O 1f+2 -0.007535 -0.012571 0.011048 -0.010699 0.002003 0.031854 35O 1f-2 -0.005871 0.001367 -0.010872 0.012817 0.035445 0.013478 35O 1f+3 -0.000285 -0.014964 0.008480 -0.024246 -0.018539 -0.003617 35O 1f-3 0.026532 0.003952 0.012716 0.038251 0.028886 -0.013538 534 535 536 537 538 539 3.43286 3.44118 3.44299 3.45568 3.46854 3.47964 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s -0.000085 -0.002800 -0.001079 -0.000784 0.000137 0.000288 0Rh 2s 0.004956 0.021616 0.001880 0.007211 -0.001238 -0.001209 0Rh 3s 0.002489 -0.003584 -0.005283 -0.000305 0.000063 0.000981 0Rh 4s -0.026396 -0.117129 -0.011018 -0.039176 0.006663 0.006666 0Rh 5s 0.070731 0.242500 0.001180 0.088171 -0.014301 -0.009823 0Rh 6s -0.117860 -0.160159 0.089451 -0.093556 0.011498 -0.011936 0Rh 7s 0.654983 0.058967 -0.794009 0.300795 -0.073458 0.227106 0Rh 8s 0.019967 0.178644 -0.129512 -0.019861 0.005710 0.014706 0Rh 1pz -0.011276 0.002810 -0.000548 -0.010672 0.002775 -0.000254 0Rh 1px 0.003585 0.001001 -0.009064 -0.004717 0.002420 0.002010 0Rh 1py -0.010034 0.003337 -0.005696 0.008028 -0.002941 0.001627 0Rh 2pz 0.042385 -0.011101 0.002158 0.040260 -0.010962 0.001177 0Rh 2px -0.013040 -0.003543 0.033644 0.018035 -0.009443 -0.007405 0Rh 2py 0.038106 -0.012962 0.021225 -0.030356 0.011597 -0.005953 0Rh 3pz -0.068026 0.031071 -0.005714 -0.067485 0.030154 -0.006864 0Rh 3px 0.011113 0.001574 -0.044273 -0.035620 0.023059 0.008330 0Rh 3py -0.069731 0.030779 -0.029621 0.052284 -0.031933 0.005893 0Rh 4pz -0.060265 -0.051744 0.007848 -0.045382 -0.046905 0.021110 0Rh 4px 0.064962 0.019049 -0.094318 0.005642 -0.023952 0.028206 0Rh 4py -0.015036 -0.031309 -0.052079 0.028253 0.051852 0.025019 0Rh 5pz 0.219737 0.093499 -0.024619 0.182920 0.087459 -0.038062 0Rh 5px -0.187467 -0.027711 0.297774 0.011835 0.026220 -0.085876 0Rh 5py 0.108935 0.047905 0.154805 -0.122681 -0.095143 -0.064014 0Rh 6pz -0.271484 0.136450 0.288073 -0.134692 -0.013002 -0.221798 0Rh 6px 0.561912 -0.214711 -0.668314 0.324436 0.255810 0.191244 0Rh 6py -0.155801 -0.010639 0.120000 -0.140016 -0.143691 -0.123370 0Rh 1dz2 -0.014314 0.007581 -0.018025 0.010349 0.013919 -0.015316 0Rh 1dxz 0.005391 -0.028799 -0.012549 0.015050 -0.009263 -0.018569 0Rh 1dyz 0.008192 0.004064 -0.000543 -0.001720 0.033522 0.007640 0Rh 1dx2y2 -0.014658 0.016176 -0.000174 0.012922 -0.010019 -0.016792 0Rh 1dxy -0.006048 -0.002717 0.019201 -0.006538 0.023658 -0.014658 0Rh 2dz2 -0.002949 0.003336 -0.000643 0.001559 -0.001182 0.002393 0Rh 2dxz 0.001231 -0.003274 -0.000225 0.003122 -0.001713 -0.003263 0Rh 2dyz 0.001301 0.002197 0.001026 0.001414 -0.004573 0.012536 0Rh 2dx2y2 -0.001031 -0.000063 -0.002655 0.002084 -0.003542 -0.000501 0Rh 2dxy 0.000355 -0.001669 0.003247 -0.001420 0.000902 0.002534 0Rh 3dz2 0.061987 -0.040932 0.063952 -0.042358 -0.041862 0.041413 0Rh 3dxz -0.023823 0.112764 0.043631 -0.065456 0.039498 0.078505 0Rh 3dyz -0.033626 -0.024084 -0.003064 -0.000633 -0.092932 -0.083635 0Rh 3dx2y2 0.054284 -0.054976 0.012804 -0.053555 0.050504 0.059706 0Rh 3dxy 0.018918 0.016745 -0.080097 0.028735 -0.084689 0.038592 0Rh 4dz2 -0.076338 0.066930 -0.050325 0.046385 0.017422 -0.005755 0Rh 4dxz 0.030850 -0.115499 -0.033105 0.081457 -0.048271 -0.094306 0Rh 4dyz 0.037400 0.046213 0.016993 0.015615 0.014332 0.194460 0Rh 4dx2y2 -0.048433 0.040531 -0.038453 0.061846 -0.077639 -0.050047 0Rh 4dxy -0.008792 -0.030319 0.094109 -0.036887 0.069878 -0.003480 0Rh 5dz2 0.058862 -0.146046 -0.055471 0.022548 0.026926 -0.043480 0Rh 5dxz -0.055391 -0.005182 -0.033558 -0.070768 0.056937 0.056982 0Rh 5dyz -0.013662 -0.168849 -0.086204 -0.031240 0.190497 -0.169454 0Rh 5dx2y2 -0.018562 0.067613 0.071350 -0.047469 0.101270 0.000023 0Rh 5dxy -0.056754 0.065876 -0.091088 0.057824 0.009419 -0.032364 0Rh 1f0 0.015542 -0.019386 -0.000037 -0.023216 0.002464 -0.016666 0Rh 1f+1 0.009598 0.011162 0.019765 0.013299 -0.000398 0.023479 0Rh 1f-1 0.040506 -0.006651 0.019688 0.008716 0.003903 -0.024767 0Rh 1f+2 -0.026370 0.032957 -0.004417 -0.037816 -0.000937 -0.014822 0Rh 1f-2 0.026332 0.018854 0.022945 -0.020839 0.003587 0.040691 0Rh 1f+3 -0.003885 0.021593 0.013113 0.026488 -0.007567 -0.009096 0Rh 1f-3 0.011036 0.007465 0.001272 -0.010826 0.000150 -0.025810 1Rh 1s -0.000300 0.003006 -0.000314 -0.000799 -0.000133 0.000262 1Rh 2s 0.006478 -0.021228 -0.003745 0.007212 0.001193 -0.000924 1Rh 3s 0.002130 0.005050 -0.004132 -0.000398 -0.000071 0.000998 1Rh 4s -0.034656 0.115289 0.019502 -0.039200 -0.006427 0.005129 1Rh 5s 0.087357 -0.232105 -0.061056 0.087833 0.013829 -0.006298 1Rh 6s -0.126924 0.125923 0.126504 -0.091742 -0.011379 -0.015774 1Rh 7s 0.642305 0.184579 -0.774602 0.288614 0.078590 0.234263 1Rh 8s 0.034716 -0.134449 -0.169863 -0.009346 -0.009172 0.014383 1Rh 1pz 0.011080 0.002726 0.001191 0.010922 0.003221 0.000398 1Rh 1px -0.003646 -0.001929 0.008938 0.004647 0.002550 -0.001814 1Rh 1py 0.009943 0.002490 0.006461 -0.007822 -0.002647 -0.001607 1Rh 2pz -0.041606 -0.010738 -0.004693 -0.041235 -0.012627 -0.001733 1Rh 2px 0.013270 0.007335 -0.033129 -0.017772 -0.009936 0.006640 1Rh 2py -0.037752 -0.009842 -0.024227 0.029544 0.010481 0.005890 1Rh 3pz 0.065740 0.029351 0.012634 0.069871 0.032619 0.008054 1Rh 3px -0.011542 -0.012769 0.042694 0.035213 0.023920 -0.006531 1Rh 3py 0.068900 0.027195 0.037367 -0.050081 -0.029958 -0.006124 1Rh 4pz 0.064407 -0.046703 -0.018811 0.042669 -0.043483 -0.021573 1Rh 4px -0.064643 -0.011097 0.095820 -0.006216 -0.023575 -0.029672 1Rh 4py 0.015542 -0.042433 0.041757 -0.031610 0.052590 -0.022954 1Rh 5pz -0.227579 0.079894 0.043322 -0.178883 0.076714 0.037231 1Rh 5px 0.185566 0.066360 -0.293775 -0.009686 0.024825 0.087429 1Rh 5py -0.108513 0.077872 -0.136676 0.128721 -0.099157 0.058587 1Rh 6pz 0.274541 0.219831 -0.230032 0.151119 -0.019029 0.254648 1Rh 6px -0.537353 -0.404635 0.584016 -0.333863 0.243035 -0.206253 1Rh 6py 0.130472 0.022414 -0.124129 0.144762 -0.132137 0.140907 1Rh 1dz2 -0.014892 -0.004104 -0.020334 0.009773 -0.012969 -0.015998 1Rh 1dxz 0.002702 0.030742 -0.005052 0.015380 0.010913 -0.018873 1Rh 1dyz 0.007087 -0.002962 -0.003082 -0.001102 -0.033851 0.006115 1Rh 1dx2y2 -0.014918 -0.017295 -0.005056 0.013048 0.011464 -0.016554 1Rh 1dxy -0.005398 -0.002552 0.018475 -0.005652 -0.023361 -0.016549 1Rh 2dz2 -0.002700 -0.003285 -0.001536 0.001355 0.001117 0.002229 1Rh 2dxz 0.000925 0.003126 0.000523 0.003311 0.002033 -0.003304 1Rh 2dyz 0.001600 -0.002223 0.000397 0.001170 0.004132 0.012195 1Rh 2dx2y2 -0.001277 0.000610 -0.002611 0.001937 0.003668 -0.000458 1Rh 2dxy 0.000559 0.000893 0.003540 -0.001409 -0.001022 0.002132 1Rh 3dz2 0.062788 0.028950 0.075865 -0.039467 0.038916 0.044519 1Rh 3dxz -0.013311 -0.118676 0.014740 -0.067447 -0.046595 0.079717 1Rh 3dyz -0.031303 0.020508 0.008498 -0.001594 0.096081 -0.076823 1Rh 3dx2y2 0.056274 0.056235 0.029269 -0.053296 -0.056006 0.058703 1Rh 3dxy 0.015773 0.004704 -0.078944 0.025675 0.084224 0.046900 1Rh 4dz2 -0.073828 -0.058354 -0.069104 0.042069 -0.015944 -0.010329 1Rh 4dxz 0.020093 0.117997 -0.004426 0.085092 0.057050 -0.095397 1Rh 4dyz 0.039734 -0.044716 0.000240 0.013237 -0.021338 0.184834 1Rh 4dx2y2 -0.052480 -0.035234 -0.050262 0.059680 0.082995 -0.048939 1Rh 4dxy -0.004373 0.006200 0.096449 -0.034661 -0.070804 -0.014077 1Rh 5dz2 0.043588 0.156951 -0.012923 0.027637 -0.023969 -0.030482 1Rh 5dxz -0.054973 0.014456 -0.029543 -0.078541 -0.064494 0.053851 1Rh 5dyz -0.032853 0.183204 -0.033581 -0.016307 -0.184763 -0.144639 1Rh 5dx2y2 -0.008406 -0.083418 0.052538 -0.037111 -0.101913 0.000734 1Rh 5dxy -0.058024 -0.046165 -0.103668 0.060363 -0.007685 -0.021001 1Rh 1f0 -0.014324 -0.020386 -0.005296 0.023441 0.001767 0.017001 1Rh 1f+1 -0.010154 0.015908 -0.015317 -0.013618 0.000153 -0.022768 1Rh 1f-1 -0.041741 -0.002518 -0.021074 -0.009244 0.001559 0.025552 1Rh 1f+2 0.023975 0.030593 0.012139 0.038072 -0.000013 0.014111 1Rh 1f-2 -0.027847 0.021473 -0.016877 0.021203 0.004723 -0.039755 1Rh 1f+3 0.002764 0.025705 -0.006585 -0.026959 -0.008128 0.008946 1Rh 1f-3 -0.013003 0.007003 -0.000006 0.010257 -0.001160 0.025964 2C 1s 0.011263 0.007815 0.002548 0.003906 0.001506 -0.002865 2C 2s 0.028517 0.020836 0.005695 0.009845 0.006298 -0.010570 2C 3s 0.268549 -0.022585 0.066524 0.093730 -0.130987 0.171234 2C 4s -2.610615 -0.938460 0.347919 -0.671984 0.452903 -0.338538 2C 5s 0.186576 -1.612612 0.817413 0.827581 -0.901452 3.688142 2C 1pz -0.029429 -0.093962 0.039432 0.015058 0.042506 0.031161 2C 1px 0.007995 0.013565 0.095499 0.025157 -0.073142 0.112443 2C 1py 0.055012 0.026871 -0.040460 -0.008214 -0.083150 -0.009917 2C 2pz -0.736215 -0.011123 0.653175 -0.174037 -0.058632 -0.458894 2C 2px 0.008982 0.183760 -0.531033 -0.176959 0.081698 -0.323416 2C 2py -0.814349 -0.431533 0.746789 -0.021206 0.601223 -0.111171 2C 3pz -0.183786 -0.391916 0.146364 0.096870 -0.198310 0.813623 2C 3px 0.034416 -0.062049 -0.107907 0.017265 0.186615 0.088556 2C 3py -0.130804 -0.293746 0.158379 0.097106 -0.236539 0.556733 2C 1dz2 0.049086 0.025271 -0.118148 -0.012358 -0.127211 -0.095033 2C 1dxz 0.069296 0.005165 -0.049483 0.004927 0.062516 -0.228225 2C 1dyz -0.003358 -0.045079 0.160782 0.039489 0.027675 0.098407 2C 1dx2y2 0.038579 0.090153 -0.043554 -0.013791 -0.243881 0.057979 2C 1dxy -0.035638 -0.077008 0.122335 0.034506 0.080810 -0.007855 2C 2dz2 -0.062725 0.166198 0.310934 -0.039045 -0.149651 -0.029673 2C 2dxz -0.336509 -0.262468 0.207874 -0.053723 0.061381 0.282736 2C 2dyz -0.216412 0.080408 0.154637 -0.056859 0.210707 -0.337361 2C 2dx2y2 0.254920 0.165016 -0.354773 -0.025631 0.217501 -0.216256 2C 2dxy 0.055321 0.169024 -0.472085 -0.140804 -0.120119 -0.265024 2C 1f0 -0.016710 -0.020537 0.160185 0.037172 0.079393 0.020754 2C 1f+1 -0.088928 -0.128657 0.057108 0.028465 0.127890 -0.105720 2C 1f-1 -0.043461 0.105433 0.035108 -0.049063 -0.122286 0.064575 2C 1f+2 -0.009345 -0.005171 -0.033329 -0.011277 -0.085656 0.061657 2C 1f-2 -0.215290 -0.151325 -0.085797 -0.091954 -0.025660 0.005920 2C 1f+3 0.045352 0.037934 0.074591 0.009937 0.022777 0.004654 2C 1f-3 -0.094745 -0.042457 -0.000458 -0.056933 -0.086423 -0.040495 3C 1s -0.000747 0.001018 -0.004091 0.010577 0.002441 0.000941 3C 2s -0.001130 -0.000190 -0.010732 0.026594 0.007028 0.004838 3C 3s -0.048938 0.178027 -0.076140 0.231408 -0.105063 -0.122635 3C 4s -0.088198 -1.036858 1.363670 -1.880183 0.025308 -0.056352 3C 5s -0.117273 0.700604 0.353212 0.438275 -1.883491 -3.721364 3C 1pz 0.010049 0.017838 -0.042531 0.008938 -0.003223 0.075412 3C 1px -0.027905 0.099602 -0.009749 0.034207 0.012186 -0.045385 3C 1py 0.013506 0.025450 -0.050989 -0.000690 0.075862 0.064439 3C 2pz -0.359572 -0.674497 0.856855 -0.151547 -0.227734 -0.465513 3C 2px -0.001479 -0.331609 0.107717 -0.299114 0.007781 0.162889 3C 2py 0.258885 0.154903 -0.563782 0.258237 -0.308091 -0.161128 3C 3pz -0.036718 0.239758 0.150613 -0.026471 -0.181003 -0.547433 3C 3px 0.007925 -0.001553 0.017033 -0.034896 -0.279955 -0.270932 3C 3py -0.021467 -0.062195 -0.128936 0.104343 0.370129 0.767840 3C 1dz2 -0.007287 -0.074377 -0.010117 -0.008524 0.030566 -0.057347 3C 1dxz 0.007036 -0.196082 0.064397 0.044258 -0.102739 -0.014015 3C 1dyz 0.041628 0.005273 -0.070918 -0.019455 0.011756 0.154872 3C 1dx2y2 -0.003233 -0.006022 0.050961 -0.001718 -0.010744 -0.165027 3C 1dxy 0.025203 0.038497 -0.017998 -0.094573 0.059403 -0.039876 3C 2dz2 -0.084090 -0.131964 0.234816 0.054663 -0.236853 -0.315484 3C 2dxz -0.085689 0.039101 0.200694 -0.178374 0.051685 -0.098047 3C 2dyz 0.038986 0.064029 -0.034032 -0.015065 -0.175956 -0.329195 3C 2dx2y2 0.225492 -0.046109 -0.338014 -0.078309 -0.052326 0.382201 3C 2dxy 0.065942 0.217733 -0.198725 0.210096 0.019892 0.092103 3C 1f0 0.026937 -0.111306 -0.000788 0.023305 -0.115324 0.067248 3C 1f+1 0.029109 -0.009054 0.057658 -0.163960 -0.014920 -0.001324 3C 1f-1 0.019148 -0.115356 0.090270 -0.089561 -0.042890 -0.035836 3C 1f+2 0.001048 -0.096859 0.015605 0.096422 -0.035369 0.020655 3C 1f-2 0.012266 0.119713 -0.059555 -0.006618 0.031056 -0.038043 3C 1f+3 -0.026842 -0.051638 0.097246 -0.146224 0.029734 0.023546 3C 1f-3 0.070947 0.041139 -0.056303 -0.176213 0.075154 0.043875 4C 1s 0.003195 0.002390 0.002819 -0.000110 -0.001370 0.001127 4C 2s 0.009144 0.005093 0.009671 0.000349 -0.005462 0.005083 4C 3s -0.037420 0.400892 -0.463944 -0.154506 0.117103 -0.423959 4C 4s -0.012067 -2.252039 1.542875 0.666571 -0.278597 1.686815 4C 5s -0.240140 -0.280676 -0.188942 0.135738 0.503215 0.816181 4C 1pz 0.082412 0.080108 -0.079765 -0.014411 -0.107264 0.053912 4C 1px 0.298910 0.188797 0.083228 0.079492 -0.004696 -0.030650 4C 1py 0.067209 0.039679 0.034778 0.038312 0.028730 0.047557 4C 2pz -1.045827 -0.630577 1.231627 0.001484 0.436478 -0.305954 4C 2px -1.983440 -1.229005 -0.879810 -0.628191 0.325082 -0.030219 4C 2py -0.949933 -0.517431 0.400414 -0.247283 0.017234 -0.214344 4C 3pz -0.399483 -1.830236 0.554452 0.749631 -0.709771 3.997158 4C 3px -0.457143 -0.525392 0.094234 0.046861 -0.584931 0.663462 4C 3py -0.498356 -1.343173 0.351091 0.422914 -0.107294 2.688652 4C 1dz2 -0.143469 -0.139789 0.097452 0.029362 0.220394 0.056556 4C 1dxz -0.150370 -0.079905 0.156421 0.021448 0.018082 0.129595 4C 1dyz -0.026167 0.045167 -0.024529 -0.051070 -0.060845 -0.119226 4C 1dx2y2 -0.030086 -0.075558 0.003581 0.033789 0.238912 -0.159307 4C 1dxy -0.009328 0.027618 -0.052255 -0.013157 -0.022971 -0.125342 4C 2dz2 1.184709 1.010215 -0.397757 0.158963 -0.557236 -0.127725 4C 2dxz -0.205596 -0.025174 -1.630134 -0.458504 0.275329 -0.505592 4C 2dyz 0.562907 0.112242 -0.268182 0.190945 0.049682 0.340757 4C 2dx2y2 -0.764618 -0.808558 0.876210 0.003502 -0.269595 0.586399 4C 2dxy -0.700859 -0.785465 -0.382185 -0.162620 0.238567 0.230968 4C 1f0 0.005743 0.043131 -0.033056 0.005445 0.075676 0.036827 4C 1f+1 0.001499 0.011231 0.058528 -0.005854 0.044101 0.083076 4C 1f-1 0.050005 0.033537 0.089357 0.025820 0.045678 -0.026607 4C 1f+2 0.062703 -0.119354 0.349811 0.140206 0.150731 0.061874 4C 1f-2 -0.438963 -0.267411 -0.266478 -0.138370 0.045586 -0.012880 4C 1f+3 0.365021 0.189836 0.113230 0.094919 -0.175474 -0.073327 4C 1f-3 0.321294 0.262446 -0.097039 0.054346 -0.058232 -0.098139 5C 1s -0.003489 0.002272 0.000024 0.003150 0.002469 -0.001990 5C 2s -0.010629 0.007888 0.001482 0.009759 0.004765 -0.007699 5C 3s 0.247853 -0.055248 -0.303707 -0.226684 0.416293 0.569251 5C 4s -0.795004 -0.058975 1.323519 0.702675 -2.409313 -2.265691 5C 5s 0.231296 -0.564689 0.109165 -0.350377 -0.232311 -1.015916 5C 1pz 0.019814 -0.030966 0.024724 -0.075707 -0.010216 -0.047289 5C 1px -0.040893 0.092153 -0.087053 0.239484 -0.000195 -0.004906 5C 1py -0.013032 -0.137274 0.110641 -0.064973 -0.067066 -0.003311 5C 2pz -0.438358 0.060615 0.463749 0.455359 0.007946 -0.153926 5C 2px 0.263115 -0.818587 0.622668 -1.748613 -0.223567 0.020005 5C 2py 0.440763 0.838570 -1.288423 0.544711 0.424800 0.319651 5C 3pz 0.084008 -0.165648 0.301428 -0.221318 -1.317982 -2.429348 5C 3px 0.135190 -0.053439 0.322696 -0.312123 -0.422391 -1.465653 5C 3py -0.115752 -0.495654 -0.543025 0.200343 1.983158 4.033241 5C 1dz2 -0.025193 0.236660 -0.079567 0.042454 0.067430 -0.071272 5C 1dxz -0.010373 0.158773 -0.021206 -0.012098 0.097299 -0.055502 5C 1dyz -0.000986 -0.046709 0.036435 0.009746 -0.037986 -0.160793 5C 1dx2y2 0.040681 0.117143 -0.129326 0.077600 0.091914 0.201575 5C 1dxy 0.026254 0.023958 -0.080052 0.039423 -0.028406 0.054612 5C 2dz2 0.008875 -0.059266 -0.202462 0.392215 0.279507 0.317424 5C 2dxz 0.402595 -0.213753 -0.622451 -0.338200 0.194973 0.725265 5C 2dyz 0.048858 -0.251705 0.196731 -0.673461 0.170797 0.463874 5C 2dx2y2 -0.370761 -0.797915 1.215145 -0.711996 -0.770154 -0.924488 5C 2dxy -0.533206 0.324339 0.455460 0.747697 0.006835 -0.469742 5C 1f0 0.093116 -0.090933 0.006994 -0.252289 -0.027527 -0.033445 5C 1f+1 0.051337 0.102076 -0.156327 0.032319 0.115898 0.191226 5C 1f-1 0.048980 -0.227353 0.148226 -0.317007 -0.114509 -0.089812 5C 1f+2 -0.105327 0.110649 -0.032100 0.321587 0.104928 -0.039005 5C 1f-2 -0.122023 -0.030778 0.074367 0.377280 -0.092985 -0.150249 5C 1f+3 -0.021873 -0.032390 0.012883 0.103914 0.072768 -0.034050 5C 1f-3 0.044614 -0.144213 0.153028 -0.247687 -0.107694 0.006960 6C 1s -0.003246 -0.002505 -0.000546 0.003157 -0.002368 -0.002071 6C 2s -0.009918 -0.008983 -0.000611 0.009660 -0.004406 -0.007863 6C 3s 0.268945 0.164893 -0.264719 -0.219922 -0.440705 0.548474 6C 4s -0.915425 -0.400726 1.221970 0.670656 2.504190 -2.154414 6C 5s 0.163388 0.541013 0.227531 -0.325158 0.262723 -0.984379 6C 1pz -0.015967 -0.027673 -0.030945 0.076064 -0.010844 0.050354 6C 1px 0.028257 0.077800 0.104596 -0.242849 -0.002536 0.000029 6C 1py 0.028063 -0.104235 -0.139921 0.058904 -0.065584 0.000518 6C 2pz 0.438088 0.231138 -0.429998 -0.464085 -0.000555 0.136752 6C 2px -0.182286 -0.713660 -0.801247 1.784292 -0.201220 0.005448 6C 2py -0.536978 0.448108 1.439932 -0.511849 0.416728 -0.297659 6C 3pz -0.030655 -0.059827 -0.306919 0.238432 -1.406098 2.403053 6C 3px -0.069591 0.031972 -0.290476 0.327913 -0.479547 1.444288 6C 3py 0.061948 -0.664164 0.358509 -0.273131 2.137672 -3.958286 6C 1dz2 -0.003606 -0.211963 -0.135579 0.029109 -0.063379 -0.075613 6C 1dxz 0.001252 -0.150164 -0.063165 -0.018432 -0.094768 -0.057947 6C 1dyz -0.011562 0.033741 0.044117 0.013866 0.044973 -0.160573 6C 1dx2y2 0.053525 -0.077013 -0.154009 0.075667 -0.097389 0.202823 6C 1dxy 0.033650 -0.001398 -0.081394 0.036277 0.026164 0.054459 6C 2dz2 0.017223 0.101555 -0.173140 0.420813 -0.284315 0.313611 6C 2dxz 0.418982 0.427547 -0.528869 -0.342464 -0.228678 0.708638 6C 2dyz 0.047094 0.226056 0.262533 -0.686516 -0.200879 0.444489 6C 2dx2y2 -0.473431 0.440640 1.354810 -0.722040 0.790231 -0.907774 6C 2dxy -0.530841 -0.511536 0.344782 0.773003 0.018552 -0.447279 6C 1f0 -0.085868 -0.101367 -0.031868 0.253682 -0.027223 0.041744 6C 1f+1 -0.066662 0.057007 0.177134 -0.038646 0.126992 -0.191929 6C 1f-1 -0.022931 -0.193345 -0.196627 0.311365 -0.112652 0.090594 6C 1f+2 0.096786 0.114713 0.060445 -0.320095 0.098273 0.035200 6C 1f-2 0.129503 0.014054 -0.078299 -0.391522 -0.102967 0.138498 6C 1f+3 0.025204 -0.024737 -0.022230 -0.110227 0.068823 0.038606 6C 1f-3 -0.022589 -0.108084 -0.179489 0.244890 -0.103124 -0.011175 7C 1s 0.003281 -0.002849 0.002106 -0.000185 0.001389 0.001313 7C 2s 0.009223 -0.006929 0.008010 0.000251 0.005429 0.005719 7C 3s -0.022678 -0.259591 -0.538827 -0.179881 -0.107529 -0.408548 7C 4s -0.099524 1.734528 2.006661 0.804679 0.238389 1.582060 7C 5s -0.209366 0.315689 -0.132025 0.143238 -0.522059 0.698733 7C 1pz -0.076995 0.048627 0.096135 0.019435 -0.104348 -0.065432 7C 1px -0.306209 0.190733 -0.027922 -0.077577 -0.015538 0.030901 7C 1py -0.071733 0.046106 -0.024127 -0.040602 0.030045 -0.050415 7C 2pz 1.016234 -0.200788 -1.342647 -0.030340 0.420444 0.373847 7C 2px 2.050373 -1.336273 0.524480 0.624487 0.388105 0.025125 7C 2py 0.985054 -0.356178 -0.515829 0.251168 0.027368 0.239873 7C 3pz 0.537903 -1.599282 -0.971837 -0.857212 -0.566819 -4.002276 7C 3px 0.474161 -0.459571 -0.229382 -0.045841 -0.548544 -0.652282 7C 3py 0.564050 -1.180861 -0.686894 -0.502148 -0.006952 -2.676977 7C 1dz2 -0.141638 0.098727 0.133105 0.039864 -0.227200 0.052982 7C 1dxz -0.145181 0.027439 0.176841 0.026353 -0.027563 0.128168 7C 1dyz -0.029529 -0.036185 -0.036185 -0.056988 0.063326 -0.118962 7C 1dx2y2 -0.020326 0.068164 0.023952 0.042904 -0.235610 -0.174002 7C 1dxy -0.003889 -0.014675 -0.057608 -0.015608 0.028875 -0.132053 7C 2dz2 1.214319 -0.808418 -0.636760 0.127463 0.594353 -0.100273 7C 2dxz -0.244507 0.470730 -1.561565 -0.484833 -0.288024 -0.483180 7C 2dyz 0.570852 -0.006736 -0.291222 0.201160 -0.052720 0.339349 7C 2dx2y2 -0.794829 0.497794 1.043243 0.029888 0.245221 0.568503 7C 2dxy -0.755378 0.831539 -0.177180 -0.147285 -0.270708 0.222932 7C 1f0 -0.007098 0.032973 0.043086 -0.005921 0.078751 -0.042193 7C 1f+1 -0.002941 0.018930 -0.059486 0.005020 0.057121 -0.088187 7C 1f-1 -0.053900 0.054194 -0.081161 -0.029086 0.045305 0.027281 7C 1f+2 -0.082123 -0.015529 -0.367269 -0.155877 0.148704 -0.038232 7C 1f-2 0.447242 -0.303084 0.179906 0.134359 0.056549 0.011331 7C 1f+3 -0.364359 0.192422 -0.053144 -0.085491 -0.190875 0.077892 7C 1f-3 -0.340784 0.221041 0.158461 -0.047854 -0.077933 0.092650 8C 1s -0.000503 -0.000276 -0.004101 0.010868 -0.002318 0.001293 8C 2s -0.000702 0.002156 -0.010011 0.027528 -0.006819 0.005809 8C 3s -0.040729 -0.164241 -0.122415 0.224795 0.114897 -0.117578 8C 4s -0.177347 0.692924 1.576930 -1.872504 -0.061615 -0.092899 8C 5s -0.145945 -0.847001 0.124242 0.369079 2.036537 -3.655453 8C 1pz -0.012787 0.005480 0.046229 -0.006884 -0.000467 -0.077399 8C 1px 0.022499 0.099271 0.036628 -0.031835 0.009677 0.048046 8C 1py -0.019482 0.010301 0.054448 0.000391 0.079054 -0.062248 8C 2pz 0.436151 -0.399563 -0.986405 0.120188 -0.239150 0.452520 8C 2px 0.008056 -0.308042 -0.192213 0.298978 0.026939 -0.159062 8C 2py -0.266883 -0.009378 0.589550 -0.250235 -0.321938 0.157412 8C 3pz 0.038236 0.281185 -0.080115 0.046010 -0.204298 0.537443 8C 3px -0.010435 0.004365 -0.021134 0.042471 -0.289298 0.260686 8C 3py 0.010285 -0.101659 0.098904 -0.118501 0.397817 -0.765145 8C 1dz2 -0.010235 0.077598 0.009613 -0.004564 -0.027246 -0.063810 8C 1dxz -0.007657 0.174440 0.116852 0.051827 0.106129 -0.007770 8C 1dyz 0.047502 0.018560 -0.067700 -0.021506 -0.018732 0.160104 8C 1dx2y2 -0.006012 -0.007807 0.053153 -0.000787 0.018849 -0.171774 8C 1dxy 0.030163 -0.028153 -0.025771 -0.097860 -0.060489 -0.047627 8C 2dz2 -0.113580 0.051591 0.255449 0.060773 0.249736 -0.305048 8C 2dxz -0.090188 -0.096990 0.172453 -0.184540 -0.055168 -0.099306 8C 2dyz 0.032436 -0.053871 -0.055742 -0.024925 0.190917 -0.333455 8C 2dx2y2 0.232365 0.157110 -0.310593 -0.080642 0.036360 0.387050 8C 2dxy 0.078523 -0.163407 -0.253826 0.211955 -0.017690 0.101363 8C 1f0 -0.015637 -0.108426 -0.026504 -0.024229 -0.112244 -0.077056 8C 1f+1 -0.021757 0.002111 -0.053038 0.161176 -0.013516 0.004123 8C 1f-1 -0.004306 -0.092140 -0.114773 0.089207 -0.043566 0.037369 8C 1f+2 0.008900 -0.089266 -0.039626 -0.103538 -0.037123 -0.028589 8C 1f-2 -0.019358 0.100728 0.090199 0.005118 0.028635 0.042423 8C 1f+3 0.034732 -0.028629 -0.103567 0.143917 0.033890 -0.021232 8C 1f-3 -0.072950 0.014167 0.067576 0.181446 0.079178 -0.035409 9C 1s 0.011917 -0.007736 0.000181 0.003734 -0.001096 -0.003442 9C 2s 0.030449 -0.020439 -0.000597 0.009348 -0.005087 -0.012365 9C 3s 0.261663 0.016966 0.067035 0.101175 0.129937 0.177703 9C 4s -2.636334 0.681731 0.603017 -0.676085 -0.489849 -0.340141 9C 5s 0.053602 1.346457 1.184437 0.937015 0.777413 3.723559 9C 1pz 0.032120 -0.078448 -0.061119 -0.020975 0.046657 -0.026274 9C 1px -0.007204 0.039014 -0.092903 -0.026715 -0.069129 -0.123579 9C 1py -0.052521 0.012743 0.046894 0.010784 -0.088019 0.005909 9C 2pz 0.722500 0.203895 -0.635907 0.192060 -0.077541 0.476326 9C 2px 0.001126 0.029237 0.566420 0.198167 0.072681 0.307292 9C 2py 0.792076 -0.163075 -0.824507 0.005247 0.613575 0.155579 9C 3pz 0.214240 -0.328321 -0.246864 -0.116667 -0.165904 -0.827871 9C 3px -0.026422 -0.090744 0.097029 -0.026720 0.188442 -0.079543 9C 3py 0.163194 -0.238857 -0.223016 -0.112668 -0.209923 -0.576745 9C 1dz2 0.046841 0.004862 -0.127747 -0.018114 0.139825 -0.092337 9C 1dxz 0.073744 0.009602 -0.062687 0.002828 -0.047112 -0.252813 9C 1dyz 0.001728 -0.000029 0.168037 0.044704 -0.031836 0.095114 9C 1dx2y2 0.036200 -0.077841 -0.067689 -0.022762 0.249866 0.080621 9C 1dxy -0.035417 0.038212 0.137878 0.041831 -0.079319 -0.012512 9C 2dz2 -0.052027 -0.243985 0.259496 -0.049614 0.152454 -0.026760 9C 2dxz -0.351867 0.185556 0.276694 -0.045225 -0.085670 0.297659 9C 2dyz -0.207921 -0.130905 0.132012 -0.063558 -0.203488 -0.345026 9C 2dx2y2 0.253886 -0.040256 -0.378750 -0.026745 -0.218202 -0.227060 9C 2dxy 0.050462 -0.033182 -0.505131 -0.160945 0.130642 -0.259241 9C 1f0 0.014951 0.021569 -0.158954 -0.042011 0.081258 -0.017626 9C 1f+1 0.088328 -0.103251 -0.084031 -0.033327 0.126106 0.125209 9C 1f-1 0.043141 0.113555 -0.014159 0.053900 -0.116240 -0.086552 9C 1f+2 -0.000710 -0.010137 0.026397 0.008276 -0.078597 -0.065412 9C 1f-2 0.219230 -0.159687 0.039487 0.091424 -0.019618 -0.006269 9C 1f+3 -0.046304 0.051082 -0.063770 -0.010509 0.029191 -0.003948 9C 1f-3 0.081341 -0.028825 -0.012455 0.054272 -0.085825 0.046913 10H 1s 0.025485 0.032616 0.091516 0.014591 -0.138151 0.167054 10H 2s -0.028812 -0.196218 0.517819 0.134806 0.059117 0.029828 10H 3s -0.117517 0.101779 -0.049713 -0.080702 -0.070826 -0.083731 10H 1pz 0.032182 -0.055721 0.123358 0.056434 0.067120 -0.090264 10H 1px -0.075829 0.022588 -0.105281 -0.046913 -0.101064 0.105179 10H 1py -0.102631 -0.100909 0.136009 -0.002772 -0.007489 0.060869 11H 1s 0.101290 0.103097 -0.145967 -0.020668 -0.022948 -0.189261 11H 2s 0.531372 0.466990 -0.123867 0.079872 -0.212856 -0.183776 11H 3s -0.171265 -0.011230 -0.130366 -0.103923 0.137231 -0.205431 11H 1pz 0.179510 0.182491 -0.026376 -0.002285 -0.218795 0.078116 11H 1px 0.172938 0.091479 0.076234 0.075323 0.098842 -0.071029 11H 1py 0.013965 0.029499 -0.101289 -0.038008 -0.014451 -0.022155 12H 1s -0.007377 -0.030363 0.130681 0.033678 0.127039 0.000518 12H 2s 0.351287 0.202730 0.237121 0.140669 0.136877 0.021146 12H 3s -0.214932 -0.033160 -0.060125 -0.070903 0.062785 -0.174701 12H 1pz -0.053409 -0.047327 0.033341 0.012876 0.068125 0.063889 12H 1px 0.073143 0.066214 -0.072702 -0.011706 -0.008391 -0.122922 12H 1py 0.203608 0.122357 0.139008 0.086642 -0.030374 0.071606 13H 1s -0.054264 0.116355 0.020579 0.026975 0.063737 -0.113423 13H 2s -0.189166 -0.167025 0.299359 0.266034 -0.137757 -0.266909 13H 3s 0.037161 0.062035 -0.005960 -0.138773 0.179081 0.150986 13H 1pz -0.054466 -0.083533 0.128848 0.054844 -0.061311 -0.108612 13H 1px 0.022985 0.066568 0.022489 -0.154273 0.042745 -0.080686 13H 1py 0.043517 0.082344 -0.065176 -0.106157 0.036769 -0.005691 14H 1s -0.028116 -0.057465 0.056131 0.078654 -0.034936 -0.085441 14H 2s -0.139735 -0.012727 -0.062718 0.375835 -0.033879 -0.121853 14H 3s 0.037479 -0.068632 0.066754 -0.181661 0.044258 0.160157 14H 1pz -0.086230 0.064402 -0.001491 0.177684 -0.012567 -0.123637 14H 1px -0.039135 0.036665 -0.068511 0.131468 0.027304 0.060240 14H 1py 0.001464 0.044686 -0.022110 0.034915 0.046435 0.039389 15H 1s 0.033913 0.007358 -0.094754 0.029258 0.049434 0.208867 15H 2s 0.033937 0.359564 -0.325639 0.361494 0.246404 0.241494 15H 3s 0.053239 -0.179410 0.029345 -0.181878 0.031755 0.220208 15H 1pz 0.024143 0.065241 -0.038685 -0.114028 0.024136 0.019290 15H 1px -0.000155 -0.014073 -0.052464 0.154526 -0.012669 0.038467 15H 1py 0.005028 -0.248710 0.127278 -0.121305 -0.126726 0.005218 16H 1s -0.013746 0.029577 0.022367 0.004098 0.011849 -0.014409 16H 2s 0.085829 -0.085247 -0.070046 0.124207 0.016389 0.129024 16H 3s 0.011817 0.042966 0.036845 -0.016758 0.043226 -0.098089 16H 1pz 0.019908 0.006306 0.000428 0.059211 0.003264 0.053917 16H 1px -0.017827 -0.012706 -0.008055 0.003171 0.009770 -0.005988 16H 1py -0.004670 0.002821 0.008498 0.002665 -0.009599 0.026391 17H 1s -0.000935 0.019421 0.009471 0.013868 -0.020606 -0.014862 17H 2s 0.077488 -0.041899 -0.073805 0.203138 0.159468 -0.082426 17H 3s -0.038331 -0.017926 0.030561 -0.057466 -0.094859 0.079723 17H 1pz -0.013590 0.003792 0.016943 -0.062838 -0.036854 0.035099 17H 1px -0.014073 -0.002490 0.006330 -0.044449 -0.027530 0.038884 17H 1py 0.006109 0.009436 -0.000424 0.039372 0.022276 -0.046098 18H 1s 0.000485 -0.021974 0.003807 0.012048 0.019948 -0.014404 18H 2s 0.078880 0.053489 -0.058320 0.207336 -0.144923 -0.081366 18H 3s -0.041426 0.011488 0.032859 -0.058657 0.088736 0.080378 18H 1pz 0.015329 0.005425 -0.015725 0.063975 -0.033711 -0.036100 18H 1px 0.015190 -0.002328 -0.006627 0.045612 -0.023891 -0.038108 18H 1py -0.006592 0.011087 0.002510 -0.037458 0.018560 0.045313 19H 1s -0.010734 -0.035646 0.013299 0.001367 -0.013158 -0.018567 19H 2s 0.084134 0.101326 -0.045373 0.129250 -0.016202 0.130263 19H 3s 0.013717 -0.051094 0.024454 -0.020726 -0.036715 -0.099992 19H 1pz -0.022766 0.007076 0.001144 -0.057984 0.004338 -0.051314 19H 1px 0.018416 -0.013176 0.004721 -0.002695 0.010185 0.007124 19H 1py 0.002844 0.005041 -0.006831 -0.003441 -0.007273 -0.025336 20H 1s 0.039822 0.019777 -0.092636 0.030865 -0.058263 0.211953 20H 2s 0.077319 -0.266856 -0.396019 0.357448 -0.249762 0.245506 20H 3s 0.044919 0.177125 0.073684 -0.175722 -0.044219 0.213540 20H 1pz -0.031964 0.047505 0.054838 0.120230 0.026516 -0.014439 20H 1px -0.004463 -0.024604 0.041998 -0.157150 -0.013132 -0.044769 20H 1py 0.019264 -0.211297 -0.183461 0.114033 -0.123829 -0.010538 21H 1s -0.032883 0.038743 0.071777 0.081644 0.040737 -0.083758 21H 2s -0.136334 0.006779 -0.059182 0.385090 0.041063 -0.108764 21H 3s 0.033457 0.060402 0.087097 -0.181843 -0.051730 0.157615 21H 1pz 0.080935 0.075391 0.018686 -0.177182 -0.018046 0.121382 21H 1px 0.034133 0.024476 0.078132 -0.133946 0.028808 -0.065496 21H 1py -0.004698 0.038814 0.034021 -0.034869 0.046856 -0.040519 22H 1s -0.046605 -0.124714 -0.011943 0.022606 -0.059628 -0.120707 22H 2s -0.221988 0.056662 0.324881 0.279568 0.154823 -0.244738 22H 3s 0.044874 -0.049969 -0.020126 -0.142282 -0.186941 0.138712 22H 1pz 0.068647 -0.040723 -0.143400 -0.059344 -0.068334 0.101571 22H 1px -0.025902 0.064522 -0.002105 0.158757 0.042211 0.090310 22H 1py -0.054128 0.055858 0.082596 0.112010 0.038136 0.015216 23H 1s -0.004411 -0.002678 0.132942 0.039394 -0.133441 -0.010351 23H 2s 0.373860 -0.246759 0.164801 0.139556 -0.130981 0.007947 23H 3s -0.216756 0.040699 -0.048146 -0.072729 -0.064238 -0.174874 23H 1pz 0.057008 -0.035339 -0.046940 -0.017332 0.074472 -0.069805 23H 1px -0.081466 0.042188 0.092680 0.015532 -0.016452 0.132358 23H 1py -0.210388 0.148353 -0.097430 -0.084064 -0.034722 -0.075514 24H 1s 0.104682 -0.057608 -0.171422 -0.027571 0.038859 -0.194130 24H 2s 0.540980 -0.389328 -0.241860 0.061145 0.233051 -0.171857 24H 3s -0.166922 0.035603 -0.122858 -0.107689 -0.131279 -0.213359 24H 1pz -0.177529 0.158205 0.068241 0.010546 -0.219079 -0.099618 24H 1px -0.177197 0.098975 -0.047762 -0.076213 0.092866 0.079634 24H 1py -0.008741 -0.000926 0.107229 0.041269 -0.013916 0.021729 25H 1s 0.022406 -0.054806 0.085382 0.013143 0.132084 0.186265 25H 2s -0.013944 0.043364 0.538448 0.147534 -0.053044 -0.015273 25H 3s -0.116256 -0.090452 -0.065321 -0.091876 0.068472 -0.065432 25H 1pz -0.037540 -0.019853 -0.126914 -0.059596 0.058497 0.113892 25H 1px 0.081812 -0.003389 0.100573 0.050401 -0.094300 -0.127644 25H 1py 0.098452 -0.055641 -0.156501 -0.002561 -0.000734 -0.053481 26O 1s -0.017278 -0.027630 -0.009925 -0.000678 -0.014418 0.014105 26O 2s -0.051447 -0.089349 -0.034732 -0.000286 -0.053258 0.053294 26O 3s 0.137944 0.483177 0.270303 -0.053510 0.477320 -0.437577 26O 4s 1.042834 0.083002 -0.555423 0.406416 -1.190695 0.829366 26O 5s 1.653339 3.212558 0.316567 -0.308322 0.882564 -3.075955 26O 1pz -0.103795 0.021397 -0.257183 -0.087740 0.179017 -0.171063 26O 1px -0.189428 -0.068136 0.067169 -0.063258 0.045479 -0.136097 26O 1py -0.040897 0.045205 -0.116366 -0.030518 0.069850 -0.177687 26O 2pz 0.102545 -0.156672 0.647818 0.190426 -0.407662 0.477517 26O 2px -0.540216 -0.692641 -0.194415 -0.052013 0.114898 0.399436 26O 2py -0.417819 -0.520302 0.273639 -0.009858 -0.051583 0.492218 26O 3pz -0.129899 0.462813 0.138217 -0.174536 0.264894 -0.755252 26O 3px -0.819148 -0.785640 0.251340 -0.126816 -0.133755 0.360873 26O 3py -0.324624 0.004111 0.176198 -0.111559 -0.000465 -0.341144 26O 1dz2 0.014302 0.011288 0.008905 0.006792 0.003658 -0.000290 26O 1dxz 0.004310 0.009588 -0.009607 -0.002137 -0.005800 -0.004366 26O 1dyz 0.005098 0.007239 0.000880 -0.002524 0.000434 -0.011481 26O 1dx2y2 -0.014052 -0.011567 0.000587 -0.002650 -0.002786 -0.005340 26O 1dxy -0.024628 -0.014870 -0.000555 -0.003609 0.015960 -0.006125 26O 2dz2 -0.084330 -0.086523 -0.035318 -0.012630 0.049066 -0.068773 26O 2dxz -0.121627 -0.046189 -0.215799 -0.065873 0.053030 -0.012695 26O 2dyz 0.004796 0.016363 -0.027631 -0.016605 0.049060 -0.069953 26O 2dx2y2 -0.010914 0.024129 0.128915 0.019773 0.041117 0.048001 26O 2dxy 0.185320 0.187506 -0.061260 0.013450 -0.065472 -0.033005 26O 1f0 0.028964 0.014818 -0.004970 0.004982 -0.000003 -0.007860 26O 1f+1 0.039790 0.031600 -0.018879 0.003467 -0.012713 -0.022171 26O 1f-1 0.023911 0.012884 0.012836 0.012124 0.014783 -0.004517 26O 1f+2 -0.047865 -0.016325 -0.024192 -0.015536 -0.002457 0.006975 26O 1f-2 -0.017595 -0.023862 0.028177 0.007320 0.025165 0.010243 26O 1f+3 0.024556 0.032295 -0.019027 -0.004311 -0.037910 -0.003406 26O 1f-3 0.032435 0.025337 0.016309 0.012534 0.015744 0.002914 27O 1s 0.002021 -0.007627 0.012204 -0.015375 -0.002424 -0.011011 27O 2s 0.006887 -0.021093 0.037799 -0.048169 -0.005315 -0.040337 27O 3s -0.048548 0.032635 -0.161016 0.197124 -0.062378 0.290465 27O 4s 0.119917 0.565828 -0.370523 0.546298 0.546165 -0.343383 27O 5s -0.094826 0.555479 -1.374536 1.331306 1.673316 3.112661 27O 1pz 0.057637 0.003328 -0.103663 0.016795 0.052068 0.118883 27O 1px -0.007249 -0.085794 0.075414 -0.076127 0.031430 0.139799 27O 1py -0.135944 0.143882 0.076588 0.202921 -0.020997 -0.189953 27O 2pz -0.124638 0.000607 0.256578 -0.066848 -0.141501 -0.319104 27O 2px 0.053215 -0.321512 0.363659 -0.598436 -0.565227 -0.579294 27O 2py 0.327237 -0.245494 -0.317259 -0.324672 0.195332 0.586076 27O 3pz 0.042615 0.006462 -0.118078 0.161657 0.332185 0.431128 27O 3px -0.165761 -0.331451 0.654777 -0.444581 -0.243057 -0.531544 27O 3py 0.056655 0.246617 -0.026449 0.079775 -0.333531 -0.471717 27O 1dz2 0.000571 0.013183 -0.008733 0.010848 0.007216 -0.001655 27O 1dxz 0.004848 -0.006584 -0.001872 -0.006510 -0.002019 0.000076 27O 1dyz 0.000468 0.003078 -0.001106 -0.003121 -0.000157 -0.003005 27O 1dx2y2 0.005228 -0.012519 0.009379 -0.022050 -0.009894 0.000975 27O 1dxy -0.003142 -0.004891 0.006533 0.001224 -0.005058 -0.007889 27O 2dz2 0.008396 -0.031227 0.042354 -0.034390 -0.049991 -0.038737 27O 2dxz 0.012764 0.061291 -0.126816 0.070181 0.121047 0.098600 27O 2dyz 0.034089 0.018387 0.012362 -0.095694 -0.042091 -0.032354 27O 2dx2y2 -0.057147 0.164730 -0.073309 0.172522 0.057794 -0.037091 27O 2dxy -0.108505 0.098976 0.042424 0.183682 -0.077515 -0.069788 27O 1f0 0.001084 -0.019624 0.010927 -0.012781 -0.011447 -0.002598 27O 1f+1 -0.005853 0.000983 -0.009879 0.030311 0.009109 -0.008001 27O 1f-1 0.000426 -0.017603 0.010552 -0.023346 -0.006232 -0.005810 27O 1f+2 0.008250 0.030048 -0.018414 -0.014408 0.034270 0.018985 27O 1f-2 0.014479 -0.000924 -0.003444 -0.043402 0.005042 0.007491 27O 1f+3 0.005955 0.003123 -0.014638 0.013702 0.013854 0.019001 27O 1f-3 0.000854 -0.029312 0.032804 -0.038815 -0.008274 -0.025712 28O 1s 0.016556 -0.009903 0.006488 0.008418 0.023320 0.005883 28O 2s 0.053601 -0.035198 0.015430 0.026816 0.080778 0.023375 28O 3s -0.301481 0.280887 0.112184 -0.124545 -0.637785 -0.198505 28O 4s 0.114625 -0.625561 -1.504945 -0.150846 1.379660 0.319566 28O 5s -0.393100 1.639446 -1.260531 -0.920828 -0.786499 -2.774868 28O 1pz 0.181068 0.236388 -0.041512 0.028458 -0.020607 -0.174877 28O 1px -0.034971 0.011391 -0.135471 -0.023950 -0.057539 0.139783 28O 1py 0.161415 0.190056 0.007027 0.038498 -0.082033 -0.048275 28O 2pz -0.146152 -0.594271 0.788031 0.186435 -0.025282 0.529790 28O 2px -0.283353 -0.086472 -0.415821 -0.223186 0.223743 -0.351847 28O 2py -0.368788 -0.481885 0.041467 -0.058425 0.156890 0.135138 28O 3pz -0.010649 0.033877 0.415613 0.003586 0.227415 -0.158502 28O 3px -0.017121 0.388726 -0.595559 -0.212984 -0.185901 -0.482375 28O 3py 0.027543 0.214336 0.033929 -0.025801 -0.053351 -0.332243 28O 1dz2 0.004014 0.002376 0.005019 0.001053 0.000966 0.002256 28O 1dxz -0.023653 -0.003779 -0.010975 -0.008680 -0.004358 0.009792 28O 1dyz -0.006307 -0.000651 -0.003922 -0.002974 -0.001950 -0.000637 28O 1dx2y2 0.008031 0.000100 0.009370 0.004491 0.004334 -0.006517 28O 1dxy -0.004631 -0.000228 0.007586 -0.001002 -0.005952 0.003984 28O 2dz2 0.031501 0.118590 -0.167040 -0.012815 0.018275 -0.028681 28O 2dxz -0.004699 -0.081191 0.156038 0.042384 0.047551 0.005768 28O 2dyz 0.044209 0.099560 0.059678 -0.009340 -0.016319 0.033817 28O 2dx2y2 -0.125148 -0.093748 0.018151 -0.033449 -0.013106 0.011007 28O 2dxy -0.171645 -0.132213 -0.047791 -0.030576 -0.006312 -0.034575 28O 1f0 -0.025605 -0.003384 -0.027873 -0.011642 0.008419 0.000587 28O 1f+1 -0.016115 -0.011321 -0.014268 -0.011902 -0.007730 0.000274 28O 1f-1 -0.032020 -0.020010 0.010505 -0.004981 -0.013201 0.021273 28O 1f+2 0.019327 -0.004201 0.045968 0.015047 0.011138 0.002569 28O 1f-2 -0.017495 -0.020159 -0.020801 -0.003468 0.011749 -0.006562 28O 1f+3 0.000153 -0.007904 0.011956 0.006097 -0.014459 -0.003881 28O 1f-3 -0.021311 -0.015238 0.001565 -0.001562 0.004760 0.005218 29O 1s 0.004347 -0.009781 -0.004401 0.001540 0.001747 0.001523 29O 2s 0.015355 -0.034087 -0.015849 0.004283 0.005777 0.005678 29O 3s -0.118810 0.261127 0.129811 -0.006337 -0.035919 -0.049728 29O 4s 0.272255 -0.445541 -0.306140 0.008264 0.067742 0.115183 29O 5s -0.545650 0.343376 0.573142 -0.371841 -0.216248 -0.183108 29O 1pz 0.001045 0.024622 -0.006698 -0.011817 0.007650 -0.024924 29O 1px -0.008159 -0.072763 0.002742 0.019796 0.022600 -0.018952 29O 1py -0.026279 -0.010433 0.000519 -0.011982 -0.001940 0.007837 29O 2pz 0.004899 -0.043438 0.020620 0.028331 -0.042375 0.135807 29O 2px -0.005212 0.143562 0.009820 -0.096913 -0.077223 0.067905 29O 2py 0.066154 0.026109 -0.006715 0.081284 0.022399 -0.024977 29O 3pz -0.030976 0.001432 0.029183 -0.060302 -0.004300 -0.053496 29O 3px 0.144343 -0.128879 -0.153755 0.091961 0.057746 0.027758 29O 3py 0.036493 -0.066893 -0.073363 0.093163 0.087689 0.035848 29O 1dz2 -0.000241 0.001170 0.000787 0.002414 -0.002057 0.002770 29O 1dxz -0.000167 0.004330 0.001435 0.002439 0.001671 -0.001154 29O 1dyz 0.000242 0.001693 0.002103 0.000948 -0.001987 0.008086 29O 1dx2y2 -0.001852 -0.000357 -0.000047 -0.001853 0.000697 -0.000169 29O 1dxy 0.000663 -0.000320 -0.000852 -0.000786 -0.005046 0.004318 29O 2dz2 0.001579 -0.004744 -0.011904 -0.006071 -0.003859 -0.016097 29O 2dxz -0.009199 0.010420 -0.001018 -0.022187 -0.002607 0.029582 29O 2dyz 0.001143 0.003799 -0.001137 0.005163 0.008772 -0.028830 29O 2dx2y2 -0.010600 -0.006598 0.009622 -0.005737 0.003569 0.004433 29O 2dxy 0.004159 0.001313 -0.007990 0.040182 0.003519 -0.015932 29O 1f0 0.003315 -0.005574 -0.004049 0.001198 0.001827 -0.000228 29O 1f+1 -0.002329 -0.000209 0.001514 0.000246 -0.003261 -0.001425 29O 1f-1 0.000736 -0.004077 -0.002557 -0.000102 -0.000330 0.001877 29O 1f+2 -0.001741 0.007068 0.003325 0.001842 0.003389 -0.003140 29O 1f-2 -0.001955 -0.002332 0.001263 -0.001251 0.003848 0.003347 29O 1f+3 -0.000339 0.002523 0.000892 0.002850 -0.001017 0.000577 29O 1f-3 -0.001207 0.000277 0.002380 0.000100 0.003050 -0.004019 30O 1s -0.000391 -0.006430 -0.004945 0.015625 -0.038023 -0.013916 30O 2s 0.001986 -0.021787 -0.019961 0.047986 -0.131263 -0.049258 30O 3s -0.112489 0.173713 0.239170 -0.183804 0.976707 0.333408 30O 4s 0.745066 -0.467630 -0.917948 -0.535266 -1.738851 -0.246855 30O 5s 0.176576 0.082465 -0.490079 -0.794734 3.371154 3.460966 30O 1pz -0.032034 0.076017 -0.043846 0.208258 0.146673 0.118811 30O 1px 0.074050 0.083888 -0.111343 -0.030515 0.062959 -0.048439 30O 1py -0.022435 -0.025820 0.107632 -0.074225 -0.193730 -0.199822 30O 2pz -0.096977 -0.132857 0.297843 -0.160476 -0.462180 -0.451119 30O 2px 0.099221 -0.278231 0.038436 -0.502227 -0.015831 0.329802 30O 2py 0.286582 0.031147 -0.479180 -0.261036 0.585549 0.743648 30O 3pz -0.267528 0.052046 0.250941 0.124120 -0.037117 -0.051688 30O 3px 0.219847 0.091821 -0.366648 -0.190838 0.820734 0.870413 30O 3py 0.252346 0.127569 -0.280131 -0.032892 -0.158094 -0.117632 30O 1dz2 0.004114 -0.003527 -0.004139 -0.011468 -0.000785 0.003987 30O 1dxz 0.001385 0.006209 -0.002304 -0.010335 0.005228 -0.003678 30O 1dyz 0.004429 0.002467 -0.000499 -0.003699 -0.004412 -0.006377 30O 1dx2y2 -0.002822 0.003350 0.001305 0.003334 -0.005832 0.002061 30O 1dxy -0.005798 0.001985 -0.003714 0.025216 -0.005100 0.002445 30O 2dz2 -0.042939 0.076570 -0.067756 0.239702 0.025155 -0.060023 30O 2dxz 0.005854 -0.005211 0.014542 -0.051119 -0.084797 0.029173 30O 2dyz -0.019327 -0.079301 0.099745 -0.000469 -0.104202 -0.028401 30O 2dx2y2 -0.061864 -0.058172 0.140849 -0.028083 0.002531 -0.049364 30O 2dxy 0.077814 0.012125 -0.105371 -0.122423 0.072114 0.086257 30O 1f0 0.005746 0.002487 -0.018015 0.005843 0.006546 0.011771 30O 1f+1 0.002026 -0.014710 0.010591 -0.018435 -0.007536 -0.000871 30O 1f-1 0.010418 -0.022286 0.002724 -0.022875 -0.008132 0.009644 30O 1f+2 -0.008075 0.007009 -0.004500 0.028659 -0.000734 0.011486 30O 1f-2 -0.017934 0.001915 0.013998 0.035324 -0.011511 -0.022986 30O 1f+3 -0.002300 -0.004094 0.014008 -0.009847 0.000250 -0.013101 30O 1f-3 -0.012302 -0.007989 0.008862 0.034644 -0.004941 -0.007073 31O 1s -0.000171 0.006545 -0.002541 0.015484 0.038836 -0.012327 31O 2s 0.002903 0.023433 -0.011580 0.047257 0.134082 -0.043981 31O 3s -0.123955 -0.223965 0.167351 -0.172228 -0.995141 0.299982 31O 4s 0.782479 0.760704 -0.715245 -0.582251 1.750332 -0.211815 31O 5s 0.212506 0.149410 -0.489060 -0.772642 -3.517087 3.315892 31O 1pz 0.023913 0.068446 0.059703 -0.211566 0.148325 -0.119253 31O 1px -0.081165 0.046489 0.128211 0.032510 0.060480 0.052464 31O 1py 0.027897 0.003548 -0.109443 0.084366 -0.202518 0.197180 31O 2pz 0.125033 -0.035857 -0.308833 0.157350 -0.474163 0.435945 31O 2px -0.090979 -0.291956 -0.114577 0.514063 0.004325 -0.317348 31O 2py -0.312106 -0.133457 0.459795 0.248591 0.620620 -0.720205 31O 3pz 0.266538 0.137418 -0.228607 -0.122136 -0.034366 0.040164 31O 3px -0.239919 -0.043628 0.372389 0.189908 0.854000 -0.827590 31O 3py -0.259547 0.033801 0.299059 0.042662 -0.169167 0.105593 31O 1dz2 0.003925 0.005089 -0.003076 -0.011268 0.000351 0.004191 31O 1dxz 0.001766 -0.004819 -0.003625 -0.011106 -0.005027 -0.004247 31O 1dyz 0.004714 -0.001806 -0.001059 -0.004023 0.004822 -0.006570 31O 1dx2y2 -0.002653 -0.003916 0.000314 0.003318 0.005759 0.002337 31O 1dxy -0.005553 -0.002093 -0.003846 0.025480 0.005287 0.003288 31O 2dz2 -0.033674 -0.065821 -0.081406 0.238035 -0.017119 -0.058669 31O 2dxz 0.004420 0.001216 0.014081 -0.049595 0.080951 0.033825 31O 2dyz -0.030329 0.048207 0.113875 0.002571 0.104081 -0.021188 31O 2dx2y2 -0.072720 0.017334 0.146979 -0.029871 -0.000541 -0.049218 31O 2dxy 0.082014 0.025840 -0.103655 -0.122341 -0.078429 0.083946 31O 1f0 -0.007374 -0.003008 0.017110 -0.005425 0.006768 -0.011302 31O 1f+1 -0.000347 -0.012007 -0.013347 0.017707 -0.007104 0.000618 31O 1f-1 -0.008537 -0.022196 -0.008151 0.021681 -0.007231 -0.009825 31O 1f+2 0.007465 0.006935 0.005948 -0.028974 -0.000632 -0.012646 31O 1f-2 0.018361 0.008485 -0.013038 -0.036380 -0.012814 0.021467 31O 1f+3 0.003868 -0.000564 -0.013804 0.010122 -0.000548 0.013695 31O 1f-3 0.013529 -0.003316 -0.010069 -0.035777 -0.005528 0.005564 32O 1s 0.003569 0.010827 -0.001629 0.001660 -0.001512 0.001822 32O 2s 0.012591 0.037934 -0.006157 0.004739 -0.004981 0.006770 32O 3s -0.096594 -0.294190 0.055070 -0.010326 0.030557 -0.058914 32O 4s 0.232615 0.529102 -0.174563 0.017139 -0.058605 0.133423 32O 5s -0.521193 -0.501504 0.456311 -0.385769 0.196898 -0.201027 32O 1pz -0.002753 0.021667 0.012905 0.010729 0.006425 0.024645 32O 1px 0.012608 -0.067558 -0.021488 -0.019033 0.021581 0.018826 32O 1py 0.026814 -0.009005 -0.002833 0.011701 -0.001035 -0.006097 32O 2pz -0.002460 -0.036997 -0.031619 -0.023355 -0.036364 -0.133696 32O 2px -0.002117 0.135569 0.027830 0.096802 -0.071756 -0.066767 32O 2py -0.069399 0.023536 0.012185 -0.080267 0.017756 0.019909 32O 3pz 0.029674 0.009841 -0.026416 0.059564 -0.005487 0.054916 32O 3px -0.135797 -0.169287 0.112650 -0.095935 0.054285 -0.033574 32O 3py -0.033713 -0.082098 0.053816 -0.096651 0.083578 -0.034398 32O 1dz2 0.000051 -0.001356 0.000446 0.002407 0.001930 0.002643 32O 1dxz 0.000093 -0.004687 0.000245 0.002303 -0.001593 -0.001228 32O 1dyz 0.000398 -0.002237 0.001684 0.000837 0.001716 0.008028 32O 1dx2y2 -0.001904 0.000352 -0.000014 -0.002049 -0.000812 -0.000440 32O 1dxy 0.000586 0.000650 -0.000623 -0.000975 0.004820 0.004393 32O 2dz2 0.000590 0.008058 -0.009758 -0.005317 0.005547 -0.011976 32O 2dxz -0.008863 -0.009070 -0.003495 -0.023398 0.000902 0.029430 32O 2dyz 0.000633 -0.003556 -0.002099 0.005403 -0.006793 -0.027545 32O 2dx2y2 -0.010947 0.003414 0.011078 -0.007221 -0.003588 0.004749 32O 2dxy 0.004853 -0.000726 -0.007711 0.038353 -0.001737 -0.014750 32O 1f0 -0.002684 -0.006381 0.002191 -0.001488 0.001462 0.000020 32O 1f+1 0.002257 0.000553 -0.001523 -0.000306 -0.003279 0.001538 32O 1f-1 -0.000486 -0.004707 0.001420 -0.000481 -0.000418 -0.002387 32O 1f+2 0.001253 0.008166 -0.001427 -0.001679 0.003281 0.003510 32O 1f-2 0.002047 -0.001743 -0.001853 0.001065 0.003926 -0.002856 32O 1f+3 0.000113 0.002756 -0.000193 -0.003027 -0.000948 -0.000699 32O 1f-3 0.001101 0.000917 -0.002130 -0.000107 0.002976 0.004072 33O 1s 0.015570 0.008513 0.007378 0.010023 -0.022727 0.004401 33O 2s 0.049852 0.032217 0.019091 0.032291 -0.079087 0.018575 33O 3s -0.264375 -0.318449 0.070242 -0.163023 0.632929 -0.171339 33O 4s 0.004499 1.037684 -1.346189 -0.092752 -1.404000 0.301380 33O 5s -0.290257 -1.252790 -1.546355 -1.091487 0.840339 -2.666104 33O 1pz -0.199996 0.211681 0.095973 -0.019371 -0.034361 0.175780 33O 1px 0.038769 -0.025120 0.128188 0.024650 -0.050188 -0.149237 33O 1py -0.168520 0.174478 0.041371 -0.030171 -0.086987 0.044661 33O 2pz 0.172134 -0.352909 -0.893749 -0.221956 -0.007756 -0.505807 33O 2px 0.301287 -0.191878 0.382967 0.234895 0.231265 0.344798 33O 2py 0.382919 -0.424242 -0.162938 0.036339 0.164399 -0.123669 33O 3pz -0.003296 0.149926 -0.393478 -0.005465 0.214428 0.176308 33O 3px -0.001899 0.211127 0.648820 0.250518 -0.191159 0.446216 33O 3py -0.032889 0.214452 0.019193 0.044056 -0.065582 0.321895 33O 1dz2 0.004049 -0.003093 0.004293 0.000836 -0.001134 0.002137 33O 1dxz -0.024222 0.005685 -0.009130 -0.008999 0.003078 0.010857 33O 1dyz -0.006037 0.001081 -0.003304 -0.003252 0.002025 -0.000345 33O 1dx2y2 0.008526 -0.002583 0.008770 0.004839 -0.003583 -0.007190 33O 1dxy -0.005114 -0.001598 0.007438 -0.001107 0.005394 0.004688 33O 2dz2 0.036459 -0.072191 -0.187519 -0.016617 -0.012864 -0.020176 33O 2dxz -0.004884 0.034808 0.167884 0.049885 -0.046121 -0.004623 33O 2dyz 0.042037 -0.103722 0.032364 -0.014088 0.012815 0.041659 33O 2dx2y2 -0.127154 0.080987 0.043528 -0.033263 0.007130 0.011656 33O 2dxy -0.171596 0.124796 -0.009852 -0.026875 0.007613 -0.036432 33O 1f0 0.025576 -0.008950 0.025193 0.011598 0.009061 -0.002166 33O 1f+1 0.016992 -0.014761 0.010231 0.011935 -0.006391 -0.001006 33O 1f-1 0.032924 -0.015101 -0.015936 0.004615 -0.011286 -0.022575 33O 1f+2 -0.021558 0.008194 -0.044836 -0.016494 0.010115 0.000543 33O 1f-2 0.017146 -0.023452 0.014339 0.002820 0.011937 0.007366 33O 1f+3 -0.000662 -0.003760 -0.013261 -0.006361 -0.015467 0.004841 33O 1f-3 0.021234 -0.012860 -0.005557 0.000841 0.005311 -0.005032 34O 1s -0.000080 0.004905 0.012404 -0.015035 0.002506 -0.010868 34O 2s 0.000186 0.012807 0.037342 -0.047002 0.005724 -0.039925 34O 3s -0.012724 -0.001184 -0.130991 0.185902 0.058243 0.289138 34O 4s 0.126291 -0.455765 -0.554961 0.581227 -0.535119 -0.344405 34O 5s 0.085370 -0.203488 -1.359488 1.375534 -1.759566 3.066012 34O 1pz -0.065193 -0.031422 0.095422 -0.013497 0.056195 -0.119393 34O 1px 0.014726 -0.066509 -0.095951 0.075101 0.035792 -0.138035 34O 1py 0.130336 0.178370 -0.032255 -0.201482 -0.030057 0.186481 34O 2pz 0.142293 0.084763 -0.234642 0.057566 -0.151848 0.320469 34O 2px -0.006235 -0.234374 -0.420816 0.615981 -0.576004 0.567955 34O 2py -0.327763 -0.362630 0.229631 0.316124 0.220657 -0.573820 34O 3pz -0.054371 -0.026596 0.100854 -0.171098 0.341572 -0.440090 34O 3px 0.227801 -0.148285 -0.689340 0.450698 -0.256738 0.519786 34O 3py -0.069314 0.235880 0.095876 -0.062106 -0.349843 0.472541 34O 1dz2 0.001985 -0.010915 -0.011667 0.010501 -0.007038 -0.001694 34O 1dxz 0.004393 0.007390 -0.000040 -0.005946 0.001916 -0.000212 34O 1dyz 0.000666 -0.002508 -0.002029 -0.003413 0.000137 -0.003251 34O 1dx2y2 0.003518 0.010706 0.012124 -0.022053 0.009716 0.001293 34O 1dxy -0.003795 0.002626 0.007453 0.001404 0.005282 -0.007842 34O 2dz2 0.002646 0.020693 0.047341 -0.035943 0.051848 -0.037557 34O 2dxz 0.022815 -0.023142 -0.136781 0.065634 -0.123915 0.098292 34O 2dyz 0.033621 -0.016461 0.005561 -0.098094 0.041891 -0.036299 34O 2dx2y2 -0.038948 -0.150471 -0.109304 0.168911 -0.053308 -0.040262 34O 2dxy -0.101097 -0.122243 0.014005 0.178159 0.082692 -0.064541 34O 1f0 0.000871 -0.016671 -0.015342 0.012215 -0.011288 0.002785 34O 1f+1 0.005320 -0.000640 0.009182 -0.031284 0.008164 0.008569 34O 1f-1 0.001710 -0.014960 -0.014263 0.022742 -0.005960 0.005862 34O 1f+2 -0.011014 0.022909 0.025717 0.015978 0.035098 -0.017505 34O 1f-2 -0.014109 -0.004157 0.003230 0.043691 0.005802 -0.006205 34O 1f+3 -0.006932 -0.000729 0.014599 -0.015041 0.014708 -0.019351 34O 1f-3 0.003291 -0.021162 -0.038600 0.038567 -0.008995 0.026653 35O 1s -0.017474 0.028438 -0.001915 0.000182 0.013412 0.013517 35O 2s -0.051991 0.092896 -0.008493 0.002548 0.049810 0.051683 35O 3s 0.134426 -0.530938 0.118326 -0.070618 -0.456326 -0.433136 35O 4s 1.090308 0.115882 -0.512899 0.418395 1.185859 0.849881 35O 5s 1.779073 -3.101340 -0.532601 -0.421821 -0.736091 -3.034096 35O 1pz 0.101818 -0.044806 0.253231 0.092614 0.178171 0.179503 35O 1px 0.186730 -0.036560 -0.083509 0.063282 0.044578 0.141431 35O 1py 0.045870 0.010849 0.127927 0.037450 0.066519 0.183743 35O 2pz -0.091679 0.020458 -0.661463 -0.205005 -0.400470 -0.494807 35O 2px 0.586046 -0.700056 0.021051 0.032218 0.145753 -0.387810 35O 2py 0.423529 -0.399117 -0.404609 -0.017701 -0.028556 -0.495561 35O 3pz 0.088192 0.488844 -0.009429 0.205114 0.240460 0.794741 35O 3px 0.840409 -0.650638 -0.442132 0.110341 -0.102450 -0.324263 35O 3py 0.318991 0.065293 -0.157380 0.127131 -0.006132 0.376620 35O 1dz2 0.014996 -0.012710 0.005635 0.006601 -0.003206 -0.000207 35O 1dxz 0.004360 -0.006226 -0.011966 -0.002701 0.006037 -0.004040 35O 1dyz 0.005475 -0.006927 -0.001337 -0.002879 0.000229 -0.011861 35O 1dx2y2 -0.014717 0.010429 0.003154 -0.002601 0.002712 -0.006140 35O 1dxy -0.024317 0.013146 0.003423 -0.002895 -0.016466 -0.007313 35O 2dz2 -0.081952 0.086408 -0.013261 -0.010999 -0.046872 -0.078981 35O 2dxz -0.117154 0.096447 -0.189411 -0.065788 -0.059304 -0.014690 35O 2dyz 0.010144 -0.007116 -0.031108 -0.018470 -0.047999 -0.079079 35O 2dx2y2 -0.002028 -0.063653 0.121554 0.024615 -0.041147 0.053524 35O 2dxy 0.184056 -0.151184 -0.109522 0.003686 0.070505 -0.027826 35O 1f0 -0.029221 0.011905 0.009456 -0.004757 -0.001549 0.008046 35O 1f+1 -0.041389 0.024283 0.026686 -0.002039 -0.015617 0.022027 35O 1f-1 -0.025333 0.015327 -0.008296 -0.012606 0.013407 0.006018 35O 1f+2 0.048283 -0.019677 0.017321 0.015586 -0.000624 -0.008792 35O 1f-2 0.016932 -0.014535 -0.033519 -0.008788 0.026408 -0.007988 35O 1f+3 -0.023762 0.024039 0.026680 0.006690 -0.038624 0.001650 35O 1f-3 -0.034649 0.026952 -0.010089 -0.012889 0.015997 -0.003115 540 541 542 543 544 545 3.49523 3.50570 3.51029 3.52799 3.52924 3.54294 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s 0.001692 -0.002640 0.000331 0.000105 0.000001 0.000236 0Rh 2s -0.010411 0.017465 -0.004229 -0.001052 0.003572 -0.001412 0Rh 3s 0.003779 -0.005160 -0.000587 -0.000009 0.002156 0.000549 0Rh 4s 0.056950 -0.095415 0.022832 0.005665 -0.019308 0.007667 0Rh 5s -0.110028 0.189646 -0.054191 -0.011999 0.057136 -0.014173 0Rh 6s 0.038098 -0.088781 0.065666 0.006539 -0.120246 0.001748 0Rh 7s 0.252954 -0.280332 -0.111232 0.174032 0.964223 0.111801 0Rh 8s -0.232978 0.308013 -0.011546 -0.038273 -0.124670 -0.040080 0Rh 1pz 0.000360 -0.005099 0.000118 0.001465 -0.001078 0.001012 0Rh 1px -0.002358 -0.000297 0.002158 0.004057 0.005363 0.002152 0Rh 1py 0.003400 -0.001941 0.003213 -0.000971 0.002453 -0.006067 0Rh 2pz -0.001400 0.019788 -0.000297 -0.005719 0.004346 -0.003895 0Rh 2px 0.008994 0.001403 -0.008292 -0.015401 -0.019630 -0.008117 0Rh 2py -0.013352 0.007535 -0.012563 0.003680 -0.009311 0.023147 0Rh 3pz 0.003832 -0.046091 -0.003498 0.014206 -0.012888 0.008141 0Rh 3px -0.017117 -0.008768 0.016503 0.027336 0.018911 0.013262 0Rh 3py 0.035056 -0.017423 0.030924 -0.005913 0.016348 -0.043787 0Rh 4pz -0.008756 0.041427 0.022328 -0.017074 0.016936 -0.002678 0Rh 4px -0.000955 0.027966 0.000318 0.012614 0.089666 0.012045 0Rh 4py -0.049027 0.014179 -0.032349 -0.008069 0.009581 -0.005960 0Rh 5pz 0.030051 -0.047306 -0.054035 0.031268 -0.002922 -0.002162 0Rh 5px 0.019437 -0.047075 -0.017301 -0.067104 -0.265822 -0.050352 0Rh 5py 0.082214 -0.008503 0.043746 0.028059 -0.048886 0.069143 0Rh 6pz -0.323293 -0.360317 0.198883 -0.067176 -0.594269 -0.059729 0Rh 6px -0.083542 -0.029694 -0.337431 0.013209 0.820972 0.132275 0Rh 6py 0.086495 -0.368485 0.005837 -0.113362 0.125531 -0.109671 0Rh 1dz2 0.012528 -0.009124 0.008258 -0.005737 0.017101 0.061299 0Rh 1dxz 0.004023 -0.007551 0.012715 -0.004615 -0.013551 0.027801 0Rh 1dyz 0.020612 0.003840 0.014404 -0.009421 -0.001351 -0.030669 0Rh 1dx2y2 -0.005339 0.018428 0.010602 -0.001011 -0.011453 0.042414 0Rh 1dxy -0.004920 0.008889 0.013574 -0.013180 0.002986 0.006071 0Rh 2dz2 -0.004994 -0.003441 -0.000159 0.000877 0.000522 0.009003 0Rh 2dxz -0.001444 0.003297 0.002764 -0.000322 -0.001248 0.004232 0Rh 2dyz -0.010891 -0.007443 -0.000930 0.002138 -0.003295 -0.005226 0Rh 2dx2y2 0.000623 -0.002589 0.000897 -0.000109 -0.001708 0.006075 0Rh 2dxy -0.006352 -0.003494 0.000104 -0.000942 -0.000715 0.001396 0Rh 3dz2 -0.019402 0.047259 -0.027816 0.015683 -0.061305 -0.253474 0Rh 3dxz -0.007278 0.010812 -0.056247 0.017554 0.052662 -0.115701 0Rh 3dyz -0.019635 0.021530 -0.045281 0.022737 0.019854 0.130019 0Rh 3dx2y2 0.015503 -0.051297 -0.040558 0.004124 0.047168 -0.174744 0Rh 3dxy 0.046353 -0.014468 -0.047007 0.049707 -0.007137 -0.027457 0Rh 4dz2 -0.050389 -0.075777 0.022238 -0.000888 0.052194 0.294901 0Rh 4dxz -0.010111 0.031194 0.070565 -0.019492 -0.056332 0.135727 0Rh 4dyz -0.121463 -0.108840 0.026540 0.004508 -0.050322 -0.154582 0Rh 4dx2y2 -0.003465 0.004276 0.039839 -0.006721 -0.051861 0.201357 0Rh 4dxy -0.108789 -0.029983 0.034291 -0.046271 -0.000968 0.037420 0Rh 5dz2 0.336380 0.126862 -0.029824 -0.069544 0.038208 -0.141759 0Rh 5dxz 0.077196 -0.221917 -0.039140 0.028754 0.038807 -0.059951 0Rh 5dyz 0.622224 0.428722 -0.012434 -0.067100 0.058521 0.030255 0Rh 5dx2y2 -0.090445 0.263173 0.010810 0.040797 -0.041147 -0.075094 0Rh 5dxy 0.255819 0.192682 0.062884 -0.028837 -0.001189 -0.060210 0Rh 1f0 0.008811 -0.020338 0.001212 -0.004455 0.001284 0.006499 0Rh 1f+1 -0.023127 0.004200 -0.002135 0.006053 -0.006351 0.001834 0Rh 1f-1 -0.010167 0.007912 0.005994 -0.003539 -0.004753 0.010087 0Rh 1f+2 -0.002118 0.024973 0.000781 -0.000513 0.015822 0.006203 0Rh 1f-2 -0.019163 -0.008395 -0.001568 0.004886 -0.007713 0.013545 0Rh 1f+3 -0.021217 0.033669 0.002788 0.003184 0.001531 -0.013830 0Rh 1f-3 -0.005761 0.013304 0.003875 -0.004867 0.007963 0.005453 1Rh 1s -0.001682 0.002622 -0.000312 -0.000069 0.000122 0.000254 1Rh 2s 0.010327 -0.017330 0.004344 0.002761 0.001918 -0.001535 1Rh 3s -0.003769 0.005136 0.000765 0.001257 0.001879 0.000585 1Rh 4s -0.056499 0.094680 -0.023440 -0.014899 -0.010354 0.008339 1Rh 5s 0.109066 -0.188099 0.056526 0.040778 0.035523 -0.015530 1Rh 6s -0.037358 0.087661 -0.072188 -0.072457 -0.092759 0.002483 1Rh 7s -0.251366 0.277711 0.167560 0.400429 0.897926 0.114075 1Rh 8s 0.231951 -0.306225 0.008218 -0.042270 -0.133600 -0.041917 1Rh 1pz 0.000099 -0.004861 -0.000050 0.001859 0.000049 -0.001043 1Rh 1px -0.002476 -0.000167 0.001634 0.000329 -0.006723 -0.002150 1Rh 1py 0.003379 -0.002074 0.003154 -0.002101 -0.001636 0.006034 1Rh 2pz -0.000420 0.018883 0.000336 -0.007336 -0.000316 0.004015 1Rh 2px 0.009440 0.000914 -0.006345 -0.001660 0.024920 0.008111 1Rh 2py -0.013269 0.008041 -0.012340 0.007978 0.006230 -0.023020 1Rh 3pz 0.002313 -0.044425 -0.004547 0.019401 0.002758 -0.008426 1Rh 3px -0.017847 -0.007922 0.013965 0.011971 -0.031097 -0.013307 1Rh 3py 0.034859 -0.018371 0.030577 -0.013723 -0.011559 0.043474 1Rh 4pz -0.010507 0.041772 0.021769 -0.024127 -0.005467 0.003025 1Rh 4px -0.001575 0.028406 -0.005412 -0.040348 -0.081221 -0.011762 1Rh 4py -0.048858 0.014017 -0.032777 -0.011044 -0.002355 0.006329 1Rh 5pz 0.035858 -0.049933 -0.052880 0.028235 -0.012985 0.001523 1Rh 5px 0.021792 -0.049022 0.000988 0.094970 0.258088 0.049652 1Rh 5py 0.082161 -0.007078 0.045385 0.047965 0.023508 -0.069762 1Rh 6pz -0.314579 -0.361753 0.230817 0.282955 0.536811 0.055419 1Rh 6px -0.082459 -0.029890 -0.382780 -0.450724 -0.689457 -0.127974 1Rh 6py 0.084526 -0.364036 0.003513 -0.167087 -0.034375 0.109974 1Rh 1dz2 -0.011369 0.009374 -0.005841 0.013331 0.011987 0.061476 1Rh 1dxz -0.004203 0.007800 -0.012593 -0.003959 -0.013102 0.028047 1Rh 1dyz -0.021366 -0.003992 -0.015206 0.007544 -0.006094 -0.030086 1Rh 1dx2y2 0.005714 -0.018148 -0.010193 -0.006469 -0.009746 0.042525 1Rh 1dxy 0.005004 -0.009158 -0.013539 0.012962 -0.004433 0.006089 1Rh 2dz2 0.005346 0.003598 0.000240 -0.000491 0.000958 0.008792 1Rh 2dxz 0.001365 -0.003258 -0.002731 -0.000481 -0.001152 0.004246 1Rh 2dyz 0.011161 0.007740 0.000261 -0.003279 -0.001672 -0.005722 1Rh 2dx2y2 -0.000520 0.002682 -0.000871 -0.000930 -0.001373 0.006038 1Rh 2dxy 0.006524 0.003550 -0.000306 0.000545 -0.001101 0.001176 1Rh 3dz2 0.013819 -0.048840 0.019140 -0.043611 -0.045723 -0.253102 1Rh 3dxz 0.008253 -0.011850 0.055681 0.015842 0.050730 -0.116612 1Rh 3dyz 0.020975 -0.022375 0.051110 -0.010974 0.028781 0.130314 1Rh 3dx2y2 -0.017264 0.049910 0.039024 0.026367 0.039846 -0.174953 1Rh 3dxy -0.047430 0.015137 0.047809 -0.047208 0.020212 -0.026493 1Rh 4dz2 0.058339 0.078622 -0.014725 0.026416 0.046049 0.292076 1Rh 4dxz 0.008467 -0.029976 -0.069907 -0.016619 -0.054901 0.136544 1Rh 4dyz 0.123415 0.112636 -0.037997 -0.025951 -0.040208 -0.160790 1Rh 4dx2y2 0.005861 -0.002264 -0.038275 -0.026751 -0.044347 0.201066 1Rh 4dxy 0.111457 0.030026 -0.036927 0.041049 -0.025279 0.034048 1Rh 5dz2 -0.342311 -0.128551 0.030131 0.080740 -0.007276 -0.130920 1Rh 5dxz -0.073746 0.220783 0.040765 -0.000932 0.049935 -0.058793 1Rh 5dyz -0.627953 -0.433740 0.021138 0.085407 0.011059 0.056741 1Rh 5dx2y2 0.089565 -0.264308 -0.013494 -0.056750 -0.016173 -0.072874 1Rh 5dxy -0.259318 -0.192499 -0.061171 0.021475 -0.016630 -0.049546 1Rh 1f0 0.009330 -0.019507 0.000401 -0.004503 0.001051 -0.006914 1Rh 1f+1 -0.023891 0.003217 -0.000572 0.008312 0.002640 -0.001351 1Rh 1f-1 -0.008869 0.008125 0.005989 -0.000193 0.006042 -0.010434 1Rh 1f+2 -0.002403 0.026189 -0.001123 -0.008855 -0.012576 -0.006414 1Rh 1f-2 -0.020768 -0.009119 0.000325 0.007148 0.004215 -0.012510 1Rh 1f+3 -0.020438 0.033532 0.003080 0.002282 -0.002507 0.013889 1Rh 1f-3 -0.004870 0.014093 0.002492 -0.008004 -0.003712 -0.005808 2C 1s -0.010368 -0.000658 0.004805 0.000205 -0.005038 -0.000818 2C 2s -0.027925 -0.003417 0.015444 0.000214 -0.015967 -0.002024 2C 3s -0.152965 0.127666 -0.125253 0.032981 0.190470 -0.013159 2C 4s 1.158578 -0.352783 0.197835 -0.341091 -0.861506 0.137992 2C 5s -0.847238 1.922731 -0.554781 -0.676772 0.303096 -0.103598 2C 1pz -0.027268 0.027876 -0.028907 0.004074 0.035218 0.021295 2C 1px -0.011833 0.054461 -0.168183 0.055913 0.112182 0.042188 2C 1py -0.017092 -0.002015 0.070166 -0.033829 -0.011756 -0.045254 2C 2pz -0.141942 -0.167756 0.433483 -0.193705 -0.871928 0.033254 2C 2px 0.686622 -0.203517 0.125413 -0.030147 0.056527 -0.076848 2C 2py -0.150579 -0.033767 -0.102294 -0.095194 -0.509428 0.035450 2C 3pz -0.036764 0.347164 -0.243002 -0.159814 0.139149 -0.003093 2C 3px 0.027826 0.128250 0.059231 -0.077550 0.042273 -0.018928 2C 3py 0.081400 0.317784 -0.088470 -0.041183 0.077703 0.038532 2C 1dz2 -0.030525 -0.028847 0.214869 -0.051365 -0.121473 -0.044073 2C 1dxz -0.168414 -0.022658 0.406259 -0.148814 -0.296694 -0.088122 2C 1dyz -0.087892 0.038740 -0.155089 0.037514 0.077724 0.019606 2C 1dx2y2 0.104164 0.027283 -0.077512 0.028434 0.090961 -0.009230 2C 1dxy -0.045694 0.064671 -0.041146 0.038401 0.012435 0.095672 2C 2dz2 -0.091745 -0.021187 -0.067956 -0.008755 -0.105353 -0.005475 2C 2dxz 0.307072 0.004394 -0.341972 0.010269 0.156021 -0.018825 2C 2dyz 0.031095 -0.101419 0.096898 0.000836 -0.300361 0.044707 2C 2dx2y2 0.084138 -0.090870 0.197459 -0.020579 0.045558 -0.056281 2C 2dxy 0.286397 -0.191590 0.330388 -0.110823 -0.136260 -0.132160 2C 1f0 -0.068134 0.059779 -0.058462 0.024974 0.017823 0.051900 2C 1f+1 -0.144800 -0.024832 0.159652 -0.056522 -0.223566 0.035940 2C 1f-1 0.205551 0.002604 -0.209066 0.050823 0.131633 -0.024594 2C 1f+2 0.081973 -0.014317 0.008953 -0.020961 0.050517 -0.139887 2C 1f-2 0.169975 -0.073651 0.082755 -0.067429 -0.042730 -0.117262 2C 1f+3 -0.041126 -0.015390 -0.068722 0.036208 -0.008060 0.047811 2C 1f-3 0.005215 -0.007854 0.229355 -0.130682 -0.142139 -0.216294 3C 1s 0.002049 0.010849 0.001049 0.003731 -0.005610 0.001350 3C 2s 0.004472 0.029418 0.001727 0.011596 -0.018534 0.002791 3C 3s 0.125588 0.090686 0.101512 -0.062215 0.254218 0.076000 3C 4s -0.566835 -1.055246 -0.397751 -0.145700 -0.928766 -0.564111 3C 5s 1.135179 0.189334 1.394204 -0.458344 1.482148 0.271959 3C 1pz 0.028650 -0.001679 0.034464 0.121625 -0.125866 0.063837 3C 1px 0.030572 0.020712 0.022992 -0.060484 0.108212 -0.008210 3C 1py -0.015350 0.003759 -0.002362 0.051023 -0.095311 0.020883 3C 2pz -0.062066 0.464978 0.027193 -0.236292 -0.393925 -0.243893 3C 2px -0.281435 -0.382876 -0.188600 -0.000919 -0.217156 0.048746 3C 2py 0.034050 -0.059150 0.100168 -0.113635 0.938791 0.228515 3C 3pz 0.236015 -0.156339 0.084386 -0.129502 0.256663 -0.044500 3C 3px -0.010735 -0.057097 0.049643 0.017913 0.107262 0.012133 3C 3py -0.159785 0.098937 -0.301965 0.181813 -0.392049 -0.025654 3C 1dz2 -0.068466 0.001053 0.019539 -0.078159 0.099890 0.045666 3C 1dxz -0.054635 0.112262 -0.024753 0.052671 -0.123089 -0.042628 3C 1dyz 0.007696 0.010382 0.016516 0.223180 -0.302283 0.050176 3C 1dx2y2 -0.085033 -0.062358 -0.068896 -0.277275 0.349920 -0.110326 3C 1dxy -0.012772 -0.148241 -0.052261 -0.125928 0.198177 -0.022361 3C 2dz2 0.053751 0.191147 -0.009123 -0.205829 0.228678 -0.158848 3C 2dxz 0.092200 -0.170828 0.027234 -0.068487 -0.023756 0.020665 3C 2dyz 0.060641 -0.217472 0.084842 -0.161611 0.529947 0.112273 3C 2dx2y2 -0.004149 -0.119494 -0.017861 0.386420 -0.227486 0.147142 3C 2dxy 0.137859 0.287715 0.115287 0.140894 -0.019400 -0.018165 3C 1f0 0.039822 0.145478 0.034308 0.150750 -0.167909 -0.055348 3C 1f+1 0.022834 -0.140345 0.076359 0.181745 -0.212686 0.261187 3C 1f-1 0.000820 -0.080168 0.007776 0.052277 -0.058590 0.064670 3C 1f+2 0.054784 0.152322 0.037207 0.110390 -0.165478 -0.009585 3C 1f-2 0.002417 -0.086202 0.033952 0.016532 0.093353 0.185265 3C 1f+3 0.024053 -0.127652 0.032047 0.089076 -0.182095 0.136230 3C 1f-3 0.011543 -0.264949 0.013202 0.046284 0.035531 0.167332 4C 1s -0.000576 -0.000548 -0.003442 0.001495 -0.001404 -0.000768 4C 2s -0.002499 0.000568 -0.011478 0.003816 -0.001789 -0.002121 4C 3s 0.481898 -0.275326 0.029743 0.152094 0.111160 0.051599 4C 4s -2.257520 1.414072 0.504221 -1.016125 -0.577167 -0.304882 4C 5s -0.891417 -0.544737 0.919323 -0.442002 -0.978919 -0.240530 4C 1pz 0.086310 0.000787 -0.054727 0.017791 0.084386 -0.050243 4C 1px -0.140810 0.065106 -0.010984 0.022983 0.010762 0.024876 4C 1py -0.009125 0.037096 -0.119022 0.040826 0.082952 0.062549 4C 2pz -0.767433 0.120094 0.379286 -0.321446 -1.117519 0.264377 4C 2px 1.525219 -0.457400 0.151115 -0.266925 0.053475 -0.193256 4C 2py 0.112230 -0.119181 0.516505 -0.393549 -0.680126 -0.338309 4C 3pz -0.629659 1.717109 -0.146692 -0.801584 0.059176 -0.108646 4C 3px -0.365395 -0.104467 0.066276 -0.094277 -0.248146 -0.104978 4C 3py -0.682306 0.878207 -0.380172 -0.562960 0.057863 -0.061396 4C 1dz2 0.025459 0.040455 -0.169212 0.048466 0.026388 0.097746 4C 1dxz -0.114675 -0.002108 -0.151491 0.062917 0.006153 0.054330 4C 1dyz 0.057874 -0.038312 0.147304 -0.058178 -0.082917 -0.053279 4C 1dx2y2 -0.122271 0.011634 0.013036 0.040217 -0.033579 0.056031 4C 1dxy -0.111780 -0.038914 0.107821 -0.005983 -0.087949 -0.000500 4C 2dz2 -0.380053 -0.001245 0.014694 0.294252 0.339955 0.132066 4C 2dxz 1.606629 -0.513895 0.383104 -0.108720 0.372690 -0.293937 4C 2dyz -0.257849 0.108795 -0.193949 0.126454 0.379301 -0.023735 4C 2dx2y2 -0.252678 0.271247 0.141260 -0.398592 -0.420390 -0.046718 4C 2dxy 0.723456 -0.044942 0.177310 -0.295100 -0.010785 -0.161655 4C 1f0 0.096820 0.018609 -0.173776 0.083167 0.125375 0.065026 4C 1f+1 0.083806 -0.040771 -0.160012 0.044146 0.106317 -0.114975 4C 1f-1 -0.075625 0.033889 -0.055451 0.035702 0.016960 0.064968 4C 1f+2 -0.414627 0.089597 -0.062483 0.037869 -0.119241 0.157311 4C 1f-2 0.276348 -0.086664 0.038453 -0.026682 -0.014016 0.117121 4C 1f+3 -0.302536 0.007039 0.171221 -0.045924 -0.153249 -0.136394 4C 1f-3 -0.112735 -0.020637 -0.067767 0.139085 0.022281 0.224341 5C 1s -0.000398 0.001719 -0.000946 -0.003305 0.000324 0.000883 5C 2s 0.000548 0.004762 -0.001219 -0.010719 0.003894 0.002374 5C 3s -0.259813 -0.288755 -0.271013 0.061609 -0.069414 -0.049939 5C 4s 1.300820 1.229119 1.465355 0.319003 -0.074428 0.298796 5C 5s -0.117572 0.655348 0.190536 0.860344 -0.691792 0.185596 5C 1pz -0.007150 -0.079013 -0.006339 -0.075119 0.106308 -0.024409 5C 1px -0.024098 0.190568 -0.014772 -0.054439 0.072883 -0.095227 5C 1py -0.030362 0.051166 -0.019162 0.021943 -0.079895 -0.082602 5C 2pz 0.110778 0.665972 0.189245 0.163520 -0.721415 -0.012487 5C 2px -0.116226 -1.602567 -0.092950 0.268136 -0.489876 0.568546 5C 2py 0.061875 -0.419916 -0.025970 -0.010686 1.012458 0.631137 5C 3pz 0.180147 0.139058 0.773231 -0.239163 0.960625 0.051471 5C 3px 0.825358 0.015978 0.596807 -0.129499 0.385346 0.107934 5C 3py -1.017946 0.042126 -1.176229 0.070569 -1.286349 -0.191977 5C 1dz2 0.025356 -0.154041 0.037027 0.030711 0.043346 0.091624 5C 1dxz 0.069416 -0.051407 0.038246 0.004962 0.012990 0.040552 5C 1dyz 0.006226 0.079730 0.004162 -0.139046 0.193440 -0.043994 5C 1dx2y2 0.086086 0.045154 0.062196 0.176116 -0.175621 0.087841 5C 1dxy -0.052737 -0.066088 -0.018424 0.036868 0.018419 0.032187 5C 2dz2 -0.127650 0.579418 -0.113675 -0.173895 0.074065 -0.114122 5C 2dxz -0.330707 -0.631648 -0.308989 0.221264 0.041396 0.284989 5C 2dyz -0.224042 -0.840511 -0.239686 0.194482 -0.535294 0.107480 5C 2dx2y2 0.020536 -0.421716 0.141984 -0.140883 -0.312117 0.089227 5C 2dxy 0.319043 1.276392 0.229425 -0.394874 -0.000477 -0.604579 5C 1f0 -0.104945 -0.259615 -0.090219 -0.069726 0.135664 0.025426 5C 1f+1 0.004784 0.078983 -0.085628 -0.029095 0.020235 -0.305949 5C 1f-1 -0.051093 -0.166795 -0.083822 -0.116284 0.109110 -0.152662 5C 1f+2 0.118977 0.203028 0.119588 0.082050 -0.109913 0.213889 5C 1f-2 0.036885 0.469258 0.046647 -0.118168 0.055223 -0.241800 5C 1f+3 -0.015906 0.074531 -0.018942 -0.105476 0.098821 -0.039949 5C 1f-3 0.066972 -0.081798 0.018009 0.110731 -0.188795 -0.115793 6C 1s 0.000352 -0.001668 0.000956 0.002844 -0.001657 0.000852 6C 2s -0.000733 -0.004671 0.001403 0.010834 -0.002895 0.002287 6C 3s 0.278897 0.297084 0.254890 -0.078262 -0.035481 -0.050247 6C 4s -1.373353 -1.264686 -1.404860 -0.351089 0.185808 0.301234 6C 5s 0.082777 -0.686319 -0.164362 -1.138525 -0.078772 0.189929 6C 1pz -0.006382 -0.074355 -0.011728 -0.122347 -0.046759 0.026043 6C 1px -0.020677 0.186723 -0.015827 -0.084242 -0.027724 0.092510 6C 1py -0.029104 0.053038 -0.012379 0.064160 0.055962 0.081160 6C 2pz 0.120406 0.646844 0.229469 0.548543 0.503832 0.000115 6C 2px -0.139269 -1.577259 -0.083679 0.485613 0.243230 -0.540465 6C 2py 0.044435 -0.432541 -0.096969 -0.585952 -0.837188 -0.620403 6C 3pz 0.258846 0.209476 0.645835 -0.684793 -0.708681 -0.043162 6C 3px 0.874653 0.061140 0.527374 -0.291516 -0.283581 -0.118340 6C 3py -1.155133 -0.062807 -0.972548 0.695695 1.104064 0.189896 6C 1dz2 -0.025786 0.153925 -0.029932 -0.002529 0.055987 0.091998 6C 1dxz -0.070359 0.050357 -0.034899 0.000975 0.015140 0.043406 6C 1dyz -0.012285 -0.085462 0.006929 0.220710 0.082748 -0.044133 6C 1dx2y2 -0.078666 -0.037124 -0.070918 -0.241571 -0.046328 0.090725 6C 1dxy 0.054635 0.068032 0.019927 -0.019247 0.036073 0.029274 6C 2dz2 0.133048 -0.561474 0.102839 0.192133 -0.046193 -0.107370 6C 2dxz 0.362279 0.639825 0.310828 -0.142432 0.150840 0.265225 6C 2dyz 0.247482 0.841425 0.202519 -0.450264 -0.341208 0.096488 6C 2dx2y2 -0.044683 0.390758 -0.143342 -0.072743 -0.319508 0.072246 6C 2dxy -0.351141 -1.270130 -0.245049 0.313956 -0.224698 -0.574431 6C 1f0 -0.106614 -0.250884 -0.098368 -0.136140 -0.072036 -0.019818 6C 1f+1 0.003806 0.079377 -0.076581 -0.035506 0.007503 0.299792 6C 1f-1 -0.048658 -0.152467 -0.086997 -0.155732 -0.022511 0.156172 6C 1f+2 0.119568 0.192300 0.119161 0.131773 0.040075 -0.214630 6C 1f-2 0.048784 0.467467 0.049029 -0.122354 0.022867 0.233304 6C 1f+3 -0.014496 0.074790 -0.020902 -0.141460 -0.021106 0.037534 6C 1f-3 0.067767 -0.073635 0.028847 0.197336 0.094436 0.115665 7C 1s 0.000537 0.000579 0.003283 -0.002047 -0.000508 -0.000774 7C 2s 0.002480 -0.000436 0.011007 -0.004210 0.000046 -0.002195 7C 3s -0.495429 0.258253 0.005246 -0.075279 0.187816 0.059990 7C 4s 2.308440 -1.343967 -0.647840 0.580769 -1.058363 -0.337805 7C 5s 0.912282 0.583230 -1.013931 -0.131806 -1.044684 -0.244071 7C 1pz 0.087092 0.002117 -0.059467 -0.032975 -0.079271 0.047661 7C 1px -0.134015 0.064160 -0.010328 0.012020 -0.019573 -0.020094 7C 1py -0.012630 0.035912 -0.121781 -0.010241 -0.087029 -0.060987 7C 2pz -0.778798 0.102780 0.459751 0.358714 1.104646 -0.241630 7C 2px 1.494215 -0.443851 0.132910 -0.242587 0.076034 0.148172 7C 2py 0.120281 -0.121739 0.565855 0.044717 0.769673 0.329431 7C 3pz -0.768748 1.605154 0.031913 -0.792398 0.440449 0.129821 7C 3px -0.392455 -0.130092 0.112539 0.042264 0.261275 0.117983 7C 3py -0.787755 0.808939 -0.260094 -0.559254 0.306435 0.079564 7C 1dz2 -0.016991 -0.037147 0.168163 -0.029350 0.041829 0.098688 7C 1dxz 0.124164 0.006471 0.145086 -0.050035 0.030877 0.049571 7C 1dyz -0.063301 0.035027 -0.146185 0.002714 -0.093180 -0.051647 7C 1dx2y2 0.119027 -0.013008 -0.006905 -0.055905 -0.003467 0.056550 7C 1dxy 0.106446 0.036822 -0.106196 -0.044601 -0.071102 -0.001905 7C 2dz2 0.355995 -0.009911 0.022416 -0.054236 0.444891 0.112396 7C 2dxz -1.621222 0.481344 -0.311902 0.290624 0.292267 -0.240978 7C 2dyz 0.258973 -0.102797 0.208690 0.114147 0.376886 -0.025660 7C 2dx2y2 0.289216 -0.247254 -0.215001 0.110361 -0.582341 -0.056474 7C 2dxy -0.704772 0.049283 -0.188434 0.244175 -0.161067 -0.133998 7C 1f0 0.094321 0.018938 -0.178638 0.003046 -0.143641 -0.064711 7C 1f+1 0.082476 -0.041596 -0.161070 -0.022580 -0.105640 0.112131 7C 1f-1 -0.076802 0.033745 -0.057444 0.022437 -0.031099 -0.060502 7C 1f+2 -0.424415 0.080318 -0.044748 0.099570 0.088386 -0.145657 7C 1f-2 0.260642 -0.082223 0.030850 -0.009102 0.020460 -0.124057 7C 1f+3 -0.282822 0.004690 0.181425 0.039590 0.148807 0.140804 7C 1f-3 -0.112008 -0.017836 -0.075898 0.108027 -0.092966 -0.214352 8C 1s -0.002143 -0.010604 -0.001203 -0.006256 -0.002572 0.001346 8C 2s -0.004669 -0.028734 -0.002373 -0.020034 -0.008974 0.002801 8C 3s -0.129547 -0.090965 -0.084724 0.192780 0.180670 0.075404 8C 4s 0.571546 1.027418 0.324319 -0.402889 -0.865112 -0.558641 8C 5s -1.260906 -0.273164 -1.198207 1.141410 1.054538 0.263123 8C 1pz 0.025666 -0.005256 0.039086 0.169963 0.034763 -0.064152 8C 1px 0.032238 0.020706 0.017417 -0.113023 -0.057715 0.006835 8C 1py -0.017486 0.000398 0.002029 0.093552 0.050321 -0.021171 8C 2pz -0.043936 0.473596 0.052031 0.032380 0.457466 0.240803 8C 2px -0.291365 -0.384449 -0.174734 0.115488 0.182293 -0.038522 8C 2py 0.034172 -0.051846 0.035721 -0.620427 -0.724315 -0.222677 8C 3pz 0.255748 -0.142240 0.058021 -0.242338 -0.148515 0.043250 8C 3px -0.002300 -0.049396 0.034430 -0.038669 -0.102568 -0.009603 8C 3py -0.183816 0.077167 -0.259827 0.357351 0.241359 0.023871 8C 1dz2 0.069063 -0.003734 -0.013056 0.117455 0.039274 0.044312 8C 1dxz 0.052632 -0.113077 0.018623 -0.115240 -0.075610 -0.045723 8C 1dyz -0.002745 -0.003503 -0.029181 -0.352830 -0.125470 0.050285 8C 1dx2y2 0.078793 0.053494 0.081811 0.420610 0.131238 -0.110938 8C 1dxy 0.013297 0.144183 0.062115 0.220301 0.094526 -0.024304 8C 2dz2 -0.068879 -0.199214 0.019940 0.295380 0.075258 -0.157032 8C 2dxz -0.094221 0.167628 -0.028936 0.041563 -0.054391 0.020448 8C 2dyz -0.068121 0.203659 -0.049194 0.424168 0.355507 0.109600 8C 2dx2y2 0.019043 0.128124 0.012453 -0.436959 0.029296 0.142649 8C 2dxy -0.138276 -0.280960 -0.115000 -0.132231 0.062332 -0.010152 8C 1f0 0.039973 0.139000 0.043086 0.221941 0.055299 0.049175 8C 1f+1 0.019432 -0.136527 0.080206 0.268482 0.069760 -0.258831 8C 1f-1 0.000253 -0.079901 0.009091 0.077204 0.018049 -0.066751 8C 1f+2 0.055253 0.153062 0.043103 0.183707 0.075406 0.014366 8C 1f-2 0.001890 -0.081012 0.023797 -0.041713 -0.089931 -0.180438 8C 1f+3 0.020563 -0.123098 0.038267 0.174330 0.098847 -0.131091 8C 1f-3 0.006128 -0.261705 0.008389 0.018785 -0.057790 -0.166651 9C 1s 0.010043 0.000787 -0.004978 -0.002875 -0.003918 -0.000864 9C 2s 0.026984 0.003719 -0.015932 -0.008824 -0.012629 -0.002136 9C 3s 0.154939 -0.124705 0.129132 0.081201 0.170033 -0.015375 9C 4s -1.126144 0.346729 -0.252514 -0.211477 -0.897661 0.142313 9C 5s 0.969599 -1.824736 0.405170 0.808311 -0.175978 -0.120991 9C 1pz -0.031252 0.026142 -0.027044 -0.015378 -0.028032 -0.020810 9C 1px -0.016777 0.053281 -0.170292 -0.015032 -0.117136 -0.039221 9C 1py -0.012441 -0.000060 0.066377 -0.024357 0.022583 0.044995 9C 2pz -0.136776 -0.166896 0.482542 0.327681 0.822277 -0.027269 9C 2px 0.700285 -0.191086 0.102884 -0.051557 -0.048894 0.057759 9C 2py -0.156025 -0.049005 -0.061716 0.213602 0.481417 -0.034659 9C 3pz -0.068317 0.326816 -0.214522 -0.223973 -0.012557 0.007274 9C 3px 0.026282 0.126481 0.060864 -0.091016 0.005488 0.016674 9C 3py 0.057452 0.305432 -0.065906 -0.087968 -0.032347 -0.035345 9C 1dz2 0.019812 0.026508 -0.208511 -0.021634 -0.113486 -0.041656 9C 1dxz 0.152484 0.022205 -0.415491 -0.036608 -0.312652 -0.086800 9C 1dyz 0.094532 -0.035367 0.146746 0.010955 0.072722 0.015134 9C 1dx2y2 -0.106803 -0.027928 0.082199 0.028907 0.090594 -0.013470 9C 1dxy 0.051547 -0.062911 0.038724 -0.027501 0.025945 0.093341 9C 2dz2 0.091943 0.021905 0.048898 -0.052345 -0.102124 -0.012986 9C 2dxz -0.284151 0.000449 0.332986 0.075060 0.119551 -0.013558 9C 2dyz -0.039904 0.098814 -0.097805 -0.175004 -0.240532 0.047335 9C 2dx2y2 -0.092295 0.081870 -0.175842 0.041795 0.040020 -0.048227 9C 2dxy -0.306436 0.180436 -0.317132 0.019386 -0.150102 -0.120114 9C 1f0 -0.068938 0.057539 -0.055446 0.010839 -0.024748 -0.047507 9C 1f+1 -0.143094 -0.027216 0.168616 0.077780 0.210811 -0.038266 9C 1f-1 0.199452 0.005627 -0.214220 -0.027155 -0.130952 0.021685 9C 1f+2 0.073825 -0.012637 0.007049 -0.046138 -0.031425 0.132043 9C 1f-2 0.166994 -0.071906 0.088243 -0.034878 0.070968 0.116712 9C 1f+3 -0.044147 -0.016630 -0.071517 0.038057 -0.012108 -0.054945 9C 1f-3 0.001353 -0.005735 0.235076 -0.032746 0.181360 0.208333 10H 1s 0.071631 0.031622 -0.229790 0.062201 0.145663 0.010250 10H 2s -0.678816 0.052708 0.298322 -0.141818 -0.456497 -0.058431 10H 3s 0.266581 -0.132214 -0.151313 0.088159 0.133589 0.054086 10H 1pz -0.307866 -0.003011 0.216334 -0.068265 -0.255916 0.011603 10H 1px 0.227609 0.001656 -0.224562 0.077721 0.196857 0.049766 10H 1py -0.058280 0.015914 0.030327 -0.039524 -0.054602 -0.076210 11H 1s -0.058581 -0.049667 0.247207 -0.067479 -0.156117 -0.054557 11H 2s -0.114750 -0.045835 0.056693 0.125801 0.040983 0.063196 11H 3s 0.085836 -0.119911 0.079876 -0.042649 -0.019751 -0.032744 11H 1pz 0.086987 0.014410 -0.138594 0.063930 0.166751 -0.021186 11H 1px -0.158145 0.018487 -0.042077 0.082709 0.006090 0.134166 11H 1py 0.075174 -0.015608 0.043409 -0.028441 0.001120 -0.005787 12H 1s -0.057879 0.028572 -0.065899 0.031578 0.013140 0.032647 12H 2s -0.306632 0.023874 -0.118068 0.043493 -0.010744 -0.066785 12H 3s 0.171429 -0.084773 0.038334 0.062947 0.012410 0.061853 12H 1pz 0.076489 0.034096 -0.136572 0.039384 0.085992 0.035057 12H 1px -0.066682 -0.041741 0.222394 -0.084603 -0.134328 -0.151180 12H 1py -0.135868 0.039836 -0.148248 0.053547 0.059513 0.008472 13H 1s 0.018159 -0.075106 0.006462 -0.160327 0.220313 0.011784 13H 2s 0.232869 0.509568 0.172659 0.141138 -0.382296 0.040328 13H 3s -0.091406 -0.219287 -0.141159 -0.095799 0.111889 -0.071294 13H 1pz 0.063094 0.106878 0.064734 0.088071 -0.172735 0.107149 13H 1px -0.035919 -0.210914 -0.027771 -0.150180 0.232314 0.013040 13H 1py -0.076236 -0.230220 -0.050671 -0.099231 0.217165 0.053231 14H 1s -0.048804 0.064648 -0.020884 -0.091409 0.080467 -0.036616 14H 2s 0.034211 0.376992 0.045559 -0.056490 0.026007 0.072594 14H 3s -0.072231 -0.149214 -0.138884 0.007899 -0.028345 -0.084885 14H 1pz 0.018626 0.130708 -0.007567 -0.185068 0.225523 -0.107934 14H 1px 0.046518 0.143468 0.073176 0.133051 -0.167059 0.150752 14H 1py 0.039719 0.043000 0.024153 0.044235 -0.061510 -0.008818 15H 1s 0.012179 0.082629 0.033274 0.213126 -0.287529 0.055743 15H 2s 0.108173 0.157220 -0.069222 0.048652 0.002543 -0.018409 15H 3s -0.112023 -0.055644 -0.025494 0.068432 -0.115250 0.015410 15H 1pz -0.008999 -0.156174 0.030788 0.043830 -0.020402 0.078902 15H 1px -0.017062 0.156527 -0.041994 -0.030513 0.010862 -0.147144 15H 1py -0.042649 0.055681 0.013879 0.107473 -0.205948 -0.037909 16H 1s -0.018747 -0.051297 0.021295 0.002766 -0.006392 -0.008194 16H 2s -0.115267 -0.037761 -0.057431 -0.009999 0.110365 0.059343 16H 3s 0.058575 -0.032455 0.035926 0.021011 -0.031218 0.006973 16H 1pz -0.066753 -0.060835 -0.014371 -0.006301 0.035845 0.015730 16H 1px 0.012475 -0.013636 0.008898 -0.014911 0.002661 -0.004267 16H 1py -0.030939 -0.024572 0.001137 0.010205 -0.003441 -0.001890 17H 1s 0.036890 -0.001848 0.009995 -0.024566 0.023417 -0.012784 17H 2s 0.052503 0.007572 -0.052056 -0.122154 0.107630 0.055048 17H 3s 0.000797 -0.015633 0.027018 0.020643 -0.021752 0.008968 17H 1pz -0.024060 0.008669 -0.003988 0.044977 -0.038810 -0.010016 17H 1px -0.030986 -0.027139 -0.002233 0.036101 -0.033530 -0.013382 17H 1py 0.044581 0.010655 0.000564 -0.036386 0.022551 -0.001640 18H 1s -0.037360 0.002163 -0.008445 0.033037 0.006494 -0.011329 18H 2s -0.057606 -0.003489 0.061987 0.160186 0.024683 0.060382 18H 3s 0.003940 0.015413 -0.030750 -0.026333 -0.005822 0.007722 18H 1pz -0.025896 0.009769 -0.000143 0.059320 0.009209 0.011946 18H 1px -0.032454 -0.026911 0.001126 0.048161 0.008982 0.015902 18H 1py 0.046190 0.010639 -0.001663 -0.040247 0.000869 -0.000641 19H 1s 0.018637 0.051528 -0.021676 -0.005758 -0.003126 -0.008558 19H 2s 0.118523 0.042876 0.063390 0.073256 0.089775 0.050345 19H 3s -0.062598 0.029995 -0.035687 -0.036214 -0.012917 0.009211 19H 1pz -0.067824 -0.063541 -0.015382 -0.026530 -0.027180 -0.011571 19H 1px 0.012456 -0.013671 0.008620 -0.013597 0.005898 0.003410 19H 1py -0.032480 -0.025963 0.001627 0.008850 -0.004164 0.003366 20H 1s -0.005867 -0.073775 -0.047317 -0.333302 -0.118514 0.056055 20H 2s -0.105816 -0.146295 0.064918 -0.034868 0.023444 -0.017855 20H 3s 0.121723 0.058053 0.014183 -0.117888 -0.059493 0.016242 20H 1pz -0.012746 -0.155030 0.028820 0.047300 -0.010116 -0.077796 20H 1px -0.014988 0.153808 -0.038665 -0.029130 0.012734 0.145550 20H 1py -0.043085 0.056286 0.023324 0.205181 0.110299 0.037516 21H 1s 0.045597 -0.066867 0.023615 0.116140 0.012904 -0.037581 21H 2s -0.039989 -0.370787 -0.038611 0.062176 -0.005488 0.073129 21H 3s 0.077191 0.148129 0.129567 -0.020777 -0.026653 -0.084000 21H 1pz 0.025007 0.130691 -0.016976 -0.278928 -0.083798 0.105418 21H 1px 0.043882 0.135787 0.076869 0.201638 0.060055 -0.151340 21H 1py 0.038953 0.041328 0.028283 0.073913 0.027306 0.006032 22H 1s -0.020774 0.072254 0.004764 0.257315 0.095235 0.010828 22H 2s -0.246637 -0.509323 -0.185037 -0.340537 -0.234253 0.041744 22H 3s 0.097269 0.219119 0.137967 0.147417 0.034219 -0.070103 22H 1pz 0.066255 0.107600 0.068604 0.173073 0.091541 -0.105661 22H 1px -0.036013 -0.203917 -0.039086 -0.254670 -0.109199 -0.011892 22H 1py -0.079129 -0.226916 -0.061853 -0.207258 -0.125367 -0.050979 23H 1s 0.061927 -0.025358 0.058682 -0.021909 0.019929 0.031690 23H 2s 0.296991 -0.015620 0.117047 -0.040844 0.015425 -0.070672 23H 3s -0.170284 0.078493 -0.032392 -0.050931 0.045481 0.062178 23H 1pz 0.072147 0.033175 -0.141260 -0.013016 -0.090022 -0.036865 23H 1px -0.055088 -0.039572 0.222948 0.000362 0.146198 0.147287 23H 1py -0.131554 0.035653 -0.148682 0.010807 -0.075354 -0.003298 24H 1s 0.044979 0.044944 -0.242378 -0.028443 -0.152471 -0.051711 24H 2s 0.102228 0.041584 -0.042934 -0.082041 0.106171 0.061739 24H 3s -0.092685 0.113849 -0.071735 0.021143 -0.033377 -0.031194 24H 1pz 0.085344 0.016618 -0.144634 -0.039905 -0.167558 0.021573 24H 1px -0.156833 0.016386 -0.042881 0.068957 -0.046032 -0.130206 24H 1py 0.076703 -0.014110 0.041952 -0.023867 0.011858 0.003727 25H 1s -0.065137 -0.030410 0.231308 0.028554 0.146510 0.009732 25H 2s 0.679489 -0.039245 -0.337419 -0.128739 -0.457810 -0.065069 25H 3s -0.265019 0.127106 0.164981 -0.004299 0.156654 0.054241 25H 1pz -0.302841 -0.007075 0.230441 0.083005 0.245773 -0.008772 25H 1px 0.220955 0.003956 -0.233781 -0.041922 -0.199627 -0.049809 25H 1py -0.063182 0.012815 0.040352 -0.004227 0.069489 0.075405 26O 1s -0.022225 0.003350 0.008132 -0.003672 -0.011093 -0.006434 26O 2s -0.078677 0.012709 0.023088 -0.009816 -0.034544 -0.020891 26O 3s 0.688870 -0.112883 -0.080372 -0.007932 0.194980 0.122567 26O 4s -1.835800 0.343076 -0.180359 0.389015 -0.067470 -0.039402 26O 5s 1.101453 -0.996612 -0.390448 0.968198 0.710266 0.544604 26O 1pz 0.241023 -0.134136 0.149711 -0.036159 -0.039138 -0.010401 26O 1px 0.034040 -0.069288 0.053680 -0.014976 -0.078327 0.000709 26O 1py 0.122311 -0.092543 0.148838 -0.034423 -0.068231 -0.077310 26O 2pz -0.559404 0.358087 -0.333391 0.037711 0.069120 -0.009337 26O 2px 0.298284 0.140552 0.192009 -0.309316 -0.032596 -0.182774 26O 2py -0.114262 0.230575 -0.242100 -0.068653 0.079933 0.159403 26O 3pz -0.110617 -0.621357 0.276280 0.037062 -0.360963 -0.005498 26O 3px -0.328943 -0.126324 0.292426 -0.317970 -0.607976 -0.205915 26O 3py -0.237071 -0.369536 0.357051 -0.062045 -0.483474 -0.059569 26O 1dz2 -0.003938 -0.000415 -0.009400 0.002246 0.002265 0.001698 26O 1dxz 0.004733 -0.001567 0.005416 0.000012 -0.000121 -0.007789 26O 1dyz 0.000060 -0.001874 0.008474 -0.000154 -0.006845 -0.000797 26O 1dx2y2 -0.002340 -0.002196 0.017580 -0.010512 -0.010764 -0.011136 26O 1dxy 0.000963 -0.002044 0.004155 -0.002589 -0.006674 0.004395 26O 2dz2 -0.052884 -0.048267 0.099823 -0.040272 -0.093724 0.006019 26O 2dxz 0.123273 -0.098492 0.034943 0.021284 0.000589 0.040638 26O 2dyz -0.040491 -0.083575 0.076279 -0.002583 -0.075527 0.001657 26O 2dx2y2 0.018996 0.059127 -0.163858 0.077417 0.082582 0.141221 26O 2dxy 0.008365 -0.045887 0.031044 0.013746 -0.007385 -0.085342 26O 1f0 -0.009564 0.006655 0.004474 0.002633 0.000848 0.004624 26O 1f+1 -0.015337 -0.007768 0.015470 0.006391 -0.010739 0.015866 26O 1f-1 -0.028195 0.006734 0.003277 0.004880 -0.003187 0.017212 26O 1f+2 0.032779 -0.011308 -0.018120 0.008998 0.012651 0.015949 26O 1f-2 -0.016299 0.001779 -0.009823 0.000426 -0.010041 0.004468 26O 1f+3 0.006207 -0.010907 0.016460 -0.003954 -0.001093 -0.022675 26O 1f-3 -0.017468 0.002084 -0.035060 0.020235 0.022746 0.007977 27O 1s 0.024681 0.006043 0.017442 0.006961 -0.007103 0.007827 27O 2s 0.086084 0.023939 0.060380 0.020684 -0.018205 0.025176 27O 3s -0.671785 -0.307550 -0.458480 -0.091952 0.023780 -0.133187 27O 4s 1.329069 1.319977 0.888065 -0.032773 0.401022 -0.058185 27O 5s -1.901443 0.242171 -1.748521 -0.366926 -0.170142 -0.574885 27O 1pz -0.051327 -0.062142 -0.041455 0.112149 -0.103308 0.102165 27O 1px -0.035852 -0.065439 -0.035268 0.067534 -0.168879 0.059547 27O 1py 0.146441 0.211363 0.101368 -0.126706 0.149382 -0.025074 27O 2pz 0.110908 0.160298 0.087235 -0.311605 0.304688 -0.322034 27O 2px 0.101292 -0.458225 0.150677 0.078256 0.049306 0.130593 27O 2py -0.367927 -0.412252 -0.284369 0.266382 -0.298596 -0.024571 27O 3pz -0.052152 0.203323 -0.255078 0.112628 -0.323056 -0.029986 27O 3px 0.410537 0.012933 0.410770 0.202685 -0.613815 0.175781 27O 3py 0.141090 -0.158012 0.174073 -0.138028 0.586888 0.039193 27O 1dz2 0.002989 0.000962 -0.002507 -0.004394 0.009244 -0.003131 27O 1dxz -0.009193 0.000352 -0.005048 -0.007765 0.009703 -0.011666 27O 1dyz 0.004185 -0.003712 0.004809 -0.000416 0.007927 0.006168 27O 1dx2y2 0.006011 -0.009115 0.001498 0.009326 -0.013860 0.003802 27O 1dxy 0.001335 0.001386 -0.001275 -0.010005 0.012870 -0.011391 27O 2dz2 0.031408 -0.019519 0.032956 0.017420 -0.010902 0.026717 27O 2dxz 0.050727 0.004915 0.059827 0.145911 -0.129606 0.212762 27O 2dyz -0.035266 -0.097067 -0.006368 -0.039451 0.099813 -0.025585 27O 2dx2y2 -0.046123 0.050610 -0.016799 -0.088129 0.137783 0.022377 27O 2dxy 0.048264 0.131220 0.077963 -0.026553 0.019404 0.051581 27O 1f0 -0.005630 -0.005935 -0.002635 -0.008262 0.002701 -0.010555 27O 1f+1 -0.006799 0.023554 -0.002114 -0.024475 0.033041 0.000907 27O 1f-1 -0.002032 -0.009941 -0.006510 -0.010316 0.004998 -0.017940 27O 1f+2 0.010527 -0.031961 0.005467 0.014861 -0.012042 0.028409 27O 1f-2 -0.006827 -0.031889 -0.008656 -0.006405 0.014731 -0.006120 27O 1f+3 0.000669 0.023232 -0.010076 -0.003170 -0.001133 -0.036451 27O 1f-3 -0.005766 -0.025077 -0.001589 -0.012514 0.008362 0.004904 28O 1s -0.006627 0.022467 0.015938 -0.012592 -0.005978 -0.000299 28O 2s -0.013690 0.076678 0.053894 -0.043893 -0.017440 -0.002449 28O 3s -0.181748 -0.537487 -0.383933 0.337687 0.029083 0.060348 28O 4s 1.654391 0.728929 0.765678 -0.693960 0.391993 -0.358048 28O 5s 1.823115 -2.414316 -0.826108 1.348782 0.743483 0.173262 28O 1pz -0.148065 -0.089247 -0.024054 0.102434 -0.001339 0.097363 28O 1px 0.082724 0.001289 -0.072299 0.021900 0.086727 0.017185 28O 1py -0.101491 -0.040002 -0.009214 0.059168 0.015715 -0.036085 28O 2pz -0.473524 0.440857 0.115260 -0.292370 -0.294877 -0.163515 28O 2px 0.759921 -0.249138 0.080180 -0.043477 0.114273 -0.195825 28O 2py 0.140604 0.124774 0.052317 -0.155590 -0.103088 0.154046 28O 3pz -0.066406 -0.044354 0.085552 -0.196032 -0.329013 0.040832 28O 3px 0.615216 -0.510917 -0.239773 0.405372 0.389735 0.040380 28O 3py 0.175992 -0.172484 0.052646 0.093192 -0.123264 0.029581 28O 1dz2 -0.002452 -0.004784 -0.001226 -0.000467 0.001494 -0.005051 28O 1dxz 0.022456 -0.006834 -0.011678 0.002005 0.012776 -0.001716 28O 1dyz 0.002636 -0.006850 -0.003790 0.003247 -0.000843 0.006508 28O 1dx2y2 -0.013772 0.005734 0.000991 -0.001406 -0.004407 0.004761 28O 1dxy 0.005444 0.001702 -0.005300 0.001097 0.002657 -0.007685 28O 2dz2 0.121753 -0.010606 -0.068126 0.083417 0.088417 0.153711 28O 2dxz -0.159838 0.086581 0.084954 -0.072404 -0.092999 -0.032718 28O 2dyz 0.067437 0.007890 -0.060364 0.009207 0.057951 -0.080786 28O 2dx2y2 0.056505 -0.053559 -0.032346 -0.003555 -0.006142 -0.044724 28O 2dxy 0.042853 -0.001137 0.035875 -0.005987 -0.071083 0.109293 28O 1f0 0.037448 -0.002913 -0.018230 0.008954 0.017382 0.022027 28O 1f+1 0.021642 -0.004820 0.006631 -0.006802 0.003492 -0.021450 28O 1f-1 0.010331 0.002661 -0.016685 0.000609 0.008479 -0.007539 28O 1f+2 -0.061196 0.011109 0.002944 0.000831 -0.021829 0.014814 28O 1f-2 0.005148 -0.007174 -0.000354 0.003297 -0.002454 0.015483 28O 1f+3 -0.030063 0.002748 0.019164 -0.007248 -0.021837 0.000000 28O 1f-3 -0.003651 0.004706 -0.010195 0.001573 -0.000188 0.006645 29O 1s 0.004330 -0.004161 -0.003979 -0.000777 0.000698 0.001965 29O 2s 0.014917 -0.013381 -0.014114 -0.001840 0.002340 0.006752 29O 3s -0.114745 0.085000 0.111103 -0.004051 -0.012954 -0.048646 29O 4s 0.185732 -0.098281 -0.217326 0.044038 0.109896 0.091927 29O 5s -0.061943 0.045365 0.295769 0.032206 -0.621674 -0.189225 29O 1pz 0.010400 0.043420 0.014066 0.005070 0.013098 -0.000719 29O 1px 0.052581 -0.067914 -0.014323 -0.033552 -0.018166 -0.002881 29O 1py 0.000933 -0.008547 0.005763 0.001365 -0.022214 -0.004683 29O 2pz -0.108126 -0.144744 -0.047845 0.020393 -0.022968 0.006633 29O 2px -0.125367 0.121008 0.034235 0.101931 -0.004891 -0.004825 29O 2py 0.000909 0.001666 -0.015198 -0.032192 0.080270 0.020014 29O 3pz 0.011881 0.074532 0.081808 0.036455 -0.034227 -0.000227 29O 3px 0.041232 -0.011254 -0.089938 -0.001066 0.176280 0.020206 29O 3py -0.035838 0.002840 -0.027226 -0.036262 0.059216 0.040465 29O 1dz2 -0.003807 0.001584 0.000890 0.000098 0.000871 0.001213 29O 1dxz -0.001607 -0.001694 -0.002496 -0.000951 0.001774 0.000662 29O 1dyz -0.007760 -0.004177 -0.003878 0.001066 -0.001716 -0.000525 29O 1dx2y2 0.000227 -0.005196 0.000784 -0.001020 -0.001902 0.000703 29O 1dxy 0.002075 -0.006268 -0.001564 0.002203 -0.000634 -0.000291 29O 2dz2 0.023498 0.044158 0.003066 -0.005538 0.001346 0.000324 29O 2dxz -0.045149 -0.017094 -0.003956 0.027831 -0.009091 0.000498 29O 2dyz 0.037330 0.035542 -0.006127 -0.021995 0.003770 -0.003291 29O 2dx2y2 -0.005995 -0.030527 0.000765 -0.003751 -0.013484 0.005878 29O 2dxy 0.036146 -0.030426 0.000507 -0.031592 0.024269 0.001545 29O 1f0 0.004033 0.003538 -0.003150 -0.001185 0.001164 0.001313 29O 1f+1 0.001284 0.004103 0.003228 -0.002247 -0.000908 -0.000659 29O 1f-1 0.001118 0.007689 -0.002622 -0.000287 -0.000449 0.001730 29O 1f+2 -0.002132 -0.000406 -0.000519 -0.000543 -0.000390 -0.000505 29O 1f-2 -0.010299 -0.000870 -0.000472 0.002577 -0.004033 0.001393 29O 1f+3 -0.002555 0.007115 0.001627 -0.001660 0.001645 -0.001115 29O 1f-3 0.000476 0.002968 0.000632 -0.003539 0.001071 -0.001079 30O 1s -0.004996 0.011760 0.002072 0.011906 -0.006378 -0.002124 30O 2s -0.019244 0.032070 0.005858 0.041308 -0.018947 -0.004152 30O 3s 0.216675 0.008860 0.011838 -0.330814 0.079119 -0.064985 30O 4s -0.689990 -1.207147 -0.262567 0.851603 0.009287 0.653456 30O 5s -0.543747 -1.516549 -1.148376 -0.605247 -0.189846 -0.008001 30O 1pz 0.018568 0.193654 0.005386 0.017253 -0.055464 0.025806 30O 1px 0.025396 -0.027606 0.021600 -0.013387 0.106529 0.037367 30O 1py 0.026599 -0.171389 0.054587 0.026880 0.011043 0.147498 30O 2pz 0.122750 0.043454 0.127156 -0.064393 0.022003 -0.326753 30O 2px -0.258436 -0.741347 -0.249265 0.076750 -0.122301 0.180382 30O 2py -0.250232 -0.178457 -0.316835 -0.020362 0.068042 -0.184843 30O 3pz -0.142279 0.230308 -0.052134 0.108036 -0.382592 -0.103822 30O 3px -0.141868 -0.513127 -0.250176 -0.085641 0.132854 0.057532 30O 3py 0.461066 -0.078490 0.102734 -0.025811 0.404234 0.129122 30O 1dz2 0.000072 -0.004140 -0.004828 0.003279 -0.001808 -0.008860 30O 1dxz 0.000727 -0.016682 -0.002021 -0.001299 0.008680 0.013985 30O 1dyz -0.003033 -0.006603 0.002687 0.000179 0.005417 0.007954 30O 1dx2y2 0.000817 0.005034 0.002231 0.000034 -0.001925 -0.005125 30O 1dxy 0.004167 0.020605 0.003836 0.008248 -0.009999 -0.000867 30O 2dz2 0.012371 0.152335 0.069575 0.027427 0.006668 0.162475 30O 2dxz -0.000738 0.031043 -0.007760 0.038115 -0.046663 -0.133447 30O 2dyz 0.079872 0.069041 0.048370 0.044867 -0.083390 -0.035443 30O 2dx2y2 0.088539 -0.051807 0.059952 0.009908 -0.073489 0.109313 30O 2dxy -0.006921 -0.115627 -0.088016 -0.041999 0.089773 -0.105493 30O 1f0 -0.014657 -0.012133 -0.008919 -0.000788 0.008226 0.011282 30O 1f+1 0.000883 0.001815 -0.001868 -0.006885 0.002044 -0.013326 30O 1f-1 -0.007075 -0.005285 -0.012642 -0.006701 0.004640 -0.031600 30O 1f+2 0.012103 0.028973 0.009013 0.019066 -0.029426 -0.000177 30O 1f-2 0.006999 0.049023 0.004801 -0.013173 0.002987 -0.019053 30O 1f+3 0.011561 -0.011167 0.012858 0.002611 -0.003509 0.029314 30O 1f-3 0.012419 0.042478 0.009779 0.002860 -0.012971 -0.010048 31O 1s 0.004236 -0.011729 -0.001792 -0.014026 0.001505 -0.002369 31O 2s 0.016682 -0.032137 -0.004548 -0.046881 0.007887 -0.005172 31O 3s -0.201756 -0.005302 -0.028430 0.332094 -0.123235 -0.051921 31O 4s 0.691226 1.190052 0.317508 -0.712924 0.492712 0.603200 31O 5s 0.673824 1.581792 1.019933 0.486370 -0.555162 -0.006004 31O 1pz 0.016321 0.183426 0.011590 0.043083 0.038184 -0.029422 31O 1px 0.026291 -0.026017 0.011883 -0.071373 -0.082968 -0.038240 31O 1py 0.030536 -0.166368 0.045757 0.019511 -0.029953 -0.141560 31O 2pz 0.141806 0.066277 0.122692 -0.053248 0.012752 0.324492 31O 2px -0.277543 -0.737528 -0.238592 0.124748 0.064275 -0.162769 31O 2py -0.275252 -0.186594 -0.301679 -0.071968 -0.027492 0.181509 31O 3pz -0.137712 0.222926 -0.030663 0.303232 0.258349 0.107980 31O 3px -0.173233 -0.527622 -0.233780 -0.168108 -0.048936 -0.056381 31O 3py 0.466356 -0.070873 0.072009 -0.243713 -0.327085 -0.135312 31O 1dz2 0.000025 0.003702 0.004661 -0.003775 0.000095 -0.008914 31O 1dxz -0.000479 0.016454 0.002894 0.006079 0.006578 0.013727 31O 1dyz 0.002944 0.006372 -0.002060 0.002697 0.004750 0.007686 31O 1dx2y2 -0.000860 -0.005019 -0.002513 -0.001203 -0.001631 -0.005071 31O 1dxy -0.004352 -0.019894 -0.004347 -0.012643 -0.003651 -0.000625 31O 2dz2 -0.013324 -0.144391 -0.064192 -0.019806 0.024705 0.163251 31O 2dxz -0.000483 -0.033828 0.003016 -0.057911 -0.019064 -0.132599 31O 2dyz -0.081421 -0.071096 -0.053043 -0.086197 -0.043017 -0.034116 31O 2dx2y2 -0.087500 0.051049 -0.061958 -0.050667 -0.052090 0.107776 31O 2dxy 0.008941 0.111607 0.089366 0.085581 0.046746 -0.104526 31O 1f0 -0.015313 -0.012726 -0.009340 -0.005325 -0.006092 -0.010934 31O 1f+1 0.000988 0.002507 -0.001694 -0.006925 0.002259 0.013615 31O 1f-1 -0.007104 -0.004175 -0.011948 -0.008142 0.000671 0.031600 31O 1f+2 0.012007 0.027931 0.010591 0.032434 0.013747 -0.000415 31O 1f-2 0.008341 0.048880 0.005042 -0.011692 0.005170 0.018041 31O 1f+3 0.011372 -0.010873 0.012161 0.004078 0.000600 -0.028754 31O 1f-3 0.013110 0.041874 0.010614 0.010426 0.009157 0.009360 32O 1s -0.004350 0.004156 0.004012 0.001142 0.000252 0.001939 32O 2s -0.014976 0.013324 0.014211 0.003212 0.001231 0.006654 32O 3s 0.115041 -0.083628 -0.111279 -0.006890 -0.014438 -0.047873 32O 4s -0.186136 0.094498 0.222292 0.030835 0.116539 0.090026 32O 5s 0.063163 -0.048676 -0.332665 -0.381517 -0.503965 -0.183967 32O 1pz 0.011484 0.044133 0.012285 -0.002828 -0.013697 -0.000522 32O 1px 0.053294 -0.068976 -0.013862 -0.017686 0.031965 0.001977 32O 1py 0.001780 -0.007700 0.007455 0.013022 0.017598 0.004783 32O 2pz -0.112954 -0.147657 -0.042098 0.028818 0.008607 0.001720 32O 2px -0.127702 0.124326 0.036919 0.087016 -0.047676 0.008368 32O 2py -0.002437 -0.002861 -0.021500 -0.069407 -0.050225 -0.020362 32O 3pz 0.012701 0.077327 0.081234 0.050484 0.004996 0.002195 32O 3px 0.042466 -0.011401 -0.100409 -0.100093 -0.146504 -0.018496 32O 3py -0.035475 0.000903 -0.030760 -0.064132 -0.032598 -0.039430 32O 1dz2 0.003885 -0.001490 -0.000980 0.000429 0.000839 0.001046 32O 1dxz 0.001570 0.001656 0.002561 0.001657 0.000793 0.000746 32O 1dyz 0.008016 0.004448 0.003471 -0.001698 -0.001019 -0.000816 32O 1dx2y2 -0.000183 0.005131 -0.000887 -0.000245 -0.002063 0.000758 32O 1dxy -0.001965 0.006368 0.001402 -0.002099 0.000583 -0.000376 32O 2dz2 -0.020953 -0.042681 -0.002738 0.003441 -0.002222 0.001847 32O 2dxz 0.048002 0.017348 0.002595 -0.029118 0.006711 -0.001394 32O 2dyz -0.039428 -0.036961 0.006874 0.019557 -0.009706 -0.000180 32O 2dx2y2 0.008283 0.031630 -0.001502 -0.005372 -0.012655 0.005364 32O 2dxy -0.035361 0.032333 0.001423 0.038593 0.003652 0.002954 32O 1f0 0.004174 0.003249 -0.003053 -0.001669 -0.000204 -0.001332 32O 1f+1 0.001441 0.003962 0.003306 -0.001444 0.001911 0.000619 32O 1f-1 0.001112 0.007825 -0.002818 -0.000037 0.000610 -0.001825 32O 1f+2 -0.001862 -0.000740 -0.000469 -0.000184 0.000723 0.000532 32O 1f-2 -0.010395 -0.001047 -0.000068 0.004292 0.002048 -0.000995 32O 1f+3 -0.002724 0.007003 0.001585 -0.002197 -0.000376 0.001088 32O 1f-3 0.000537 0.003137 0.000546 -0.003449 0.001010 0.000884 33O 1s 0.006409 -0.022006 -0.016988 0.007813 -0.011513 -0.000272 33O 2s 0.013099 -0.075143 -0.057343 0.029129 -0.037287 -0.002115 33O 3s 0.184162 0.529519 0.400647 -0.281741 0.196915 0.049966 33O 4s -1.656101 -0.735054 -0.744156 0.824314 -0.008180 -0.298208 33O 5s -1.899832 2.315058 1.031399 -0.806380 1.378968 0.210588 33O 1pz -0.141066 -0.085119 -0.033734 0.090603 -0.055313 -0.090833 33O 1px 0.076028 0.001391 -0.075821 -0.031213 -0.082855 -0.017489 33O 1py -0.092432 -0.039416 -0.013630 0.039519 -0.046161 0.038908 33O 2pz -0.488200 0.414981 0.175541 -0.097410 0.416719 0.170404 33O 2px 0.772736 -0.235295 0.053919 -0.092275 -0.084797 0.169582 33O 2py 0.114578 0.121263 0.068949 -0.070186 0.173406 -0.157128 33O 3pz -0.060839 -0.045536 0.102980 0.023415 0.382466 -0.046424 33O 3px 0.626969 -0.486993 -0.299591 0.140403 -0.552173 -0.051725 33O 3py 0.189568 -0.164990 0.042510 0.154224 0.046204 -0.038034 33O 1dz2 0.002150 0.004915 0.001157 0.001424 0.000877 -0.005098 33O 1dxz -0.021602 0.006613 0.012335 0.005243 0.011394 -0.001188 33O 1dyz -0.002325 0.006706 0.004162 -0.003422 0.001179 0.006399 33O 1dx2y2 0.013501 -0.005585 -0.001331 -0.001318 -0.004567 0.004388 33O 1dxy -0.005569 -0.001672 0.005182 0.000611 0.002550 -0.007575 33O 2dz2 -0.117423 0.007013 0.079586 -0.024559 0.119133 0.152751 33O 2dxz 0.158524 -0.083217 -0.093833 0.011216 -0.116479 -0.034505 33O 2dyz -0.072922 -0.007894 0.062874 0.026049 0.051987 -0.077906 33O 2dx2y2 -0.054277 0.053857 0.030911 -0.001169 -0.008149 -0.042307 33O 2dxy -0.034189 -0.000030 -0.037642 -0.038334 -0.061149 0.109750 33O 1f0 0.035775 -0.002287 -0.020048 -0.001224 -0.019227 -0.022391 33O 1f+1 0.021582 -0.004332 0.006201 -0.007815 0.000323 0.020387 33O 1f-1 0.009106 0.002384 -0.016271 -0.004274 -0.006720 0.007055 33O 1f+2 -0.061680 0.010164 0.005540 0.012772 0.018729 -0.013096 33O 1f-2 0.004337 -0.006987 -0.001012 0.004654 -0.000125 -0.015903 33O 1f+3 -0.029908 0.002393 0.020248 0.005800 0.021517 0.000467 33O 1f-3 -0.004298 0.004588 -0.010012 0.001675 -0.000343 -0.006794 34O 1s -0.024717 -0.006561 -0.017119 -0.009922 -0.001256 0.008101 34O 2s -0.086329 -0.025723 -0.058921 -0.027993 -0.000980 0.026249 34O 3s 0.674842 0.318282 0.443293 0.095132 -0.049613 -0.145413 34O 4s -1.338590 -1.320426 -0.846834 0.240307 0.340133 -0.015441 34O 5s 1.981280 -0.143575 1.618017 0.270003 -0.447345 -0.576781 34O 1pz -0.055681 -0.067323 -0.038345 0.149104 0.023780 -0.098586 34O 1px -0.041165 -0.068527 -0.023338 0.147223 0.103980 -0.056919 34O 1py 0.154048 0.210204 0.092806 -0.186287 -0.056827 0.020165 34O 2pz 0.123587 0.175915 0.078023 -0.423993 -0.079062 0.312006 34O 2px 0.113288 -0.432057 0.126175 0.045491 -0.100389 -0.119891 34O 2py -0.388467 -0.413797 -0.261325 0.380334 0.111656 0.033075 34O 3pz -0.061004 0.187118 -0.226031 0.267081 0.218341 0.025833 34O 3px 0.422204 0.027153 0.422263 0.522584 0.374235 -0.180459 34O 3py 0.154241 -0.146439 0.130019 -0.437944 -0.422196 -0.031825 34O 1dz2 -0.003073 -0.000784 0.002899 0.008750 0.005118 -0.002953 34O 1dxz 0.009071 -0.000836 0.005265 0.011954 0.003447 -0.011718 34O 1dyz -0.004079 0.003663 -0.004103 0.004869 0.006666 0.006163 34O 1dx2y2 -0.005792 0.008652 -0.001978 -0.015296 -0.006176 0.003567 34O 1dxy -0.001719 -0.001815 0.001675 0.015425 0.005091 -0.011291 34O 2dz2 -0.031598 0.018421 -0.031727 -0.020292 0.003028 0.025855 34O 2dxz -0.044954 0.003237 -0.060366 -0.192188 -0.021942 0.210967 34O 2dyz 0.035108 0.092992 0.011632 0.089455 0.061087 -0.027445 34O 2dx2y2 0.044233 -0.047013 0.023419 0.149816 0.063905 0.022164 34O 2dxy -0.051299 -0.125304 -0.075605 0.032263 0.005086 0.051898 34O 1f0 -0.005490 -0.005327 -0.002451 -0.008574 0.002438 0.010948 34O 1f+1 -0.006533 0.023228 -0.003559 -0.038723 -0.013536 -0.001210 34O 1f-1 -0.001884 -0.008767 -0.006406 -0.011092 0.001925 0.018120 34O 1f+2 0.009346 -0.032550 0.005508 0.018447 0.001161 -0.028301 34O 1f-2 -0.007359 -0.030804 -0.009268 -0.014438 -0.008511 0.006576 34O 1f+3 0.000707 0.023033 -0.008834 -0.002013 0.003668 0.035502 34O 1f-3 -0.005329 -0.023498 -0.002369 -0.014967 -0.000247 -0.004252 35O 1s 0.022816 -0.002908 -0.009070 -0.002571 -0.010888 -0.006714 35O 2s 0.080757 -0.011119 -0.026235 -0.009114 -0.033099 -0.022052 35O 3s -0.701961 0.100563 0.100478 0.099924 0.153810 0.136797 35O 4s 1.838560 -0.320990 0.165790 -0.330795 0.152316 -0.092233 35O 5s -1.217921 0.902828 0.564000 -0.499494 1.124915 0.559858 35O 1pz 0.243032 -0.128630 0.141127 -0.005668 0.043686 0.001595 35O 1px 0.033985 -0.065785 0.052983 0.034874 0.071123 -0.003208 35O 1py 0.132032 -0.089595 0.144680 0.009967 0.068275 0.069697 35O 2pz -0.567289 0.342566 -0.306502 -0.015421 -0.057008 0.029770 35O 2px 0.281664 0.128913 0.213194 -0.251755 0.189289 0.168278 35O 2py -0.150104 0.220891 -0.222198 -0.103716 -0.014690 -0.148266 35O 3pz -0.088207 -0.606023 0.268903 0.247464 0.268520 0.005912 35O 3px -0.349355 -0.141916 0.350027 0.060793 0.675641 0.207258 35O 3py -0.226071 -0.370470 0.374711 0.220409 0.424311 0.059936 35O 1dz2 0.003637 0.000572 0.009242 -0.000733 0.002607 0.001464 35O 1dxz -0.005392 0.001345 -0.005117 0.000076 0.000267 -0.007505 35O 1dyz -0.000549 0.001679 -0.008547 -0.003768 -0.005515 -0.000696 35O 1dx2y2 0.001906 0.002172 -0.018057 0.003066 -0.014034 -0.010818 35O 1dxy -0.000355 0.001987 -0.004223 -0.001930 -0.006800 0.004644 35O 2dz2 0.052426 0.047985 -0.102127 -0.018743 -0.095244 0.005906 35O 2dxz -0.116122 0.095909 -0.028336 -0.019367 0.015908 0.044072 35O 2dyz 0.039662 0.083188 -0.077903 -0.040634 -0.061596 0.001670 35O 2dx2y2 -0.009581 -0.058710 0.166030 -0.022900 0.103388 0.136512 35O 2dxy -0.018217 0.044631 -0.028967 -0.013546 0.003188 -0.083039 35O 1f0 -0.008678 0.006792 0.004312 0.001729 -0.002269 -0.004197 35O 1f+1 -0.014039 -0.007292 0.014591 0.011349 0.004393 -0.015041 35O 1f-1 -0.028008 0.006423 0.003467 0.005901 0.000116 -0.016194 35O 1f+2 0.030826 -0.010740 -0.019905 0.001253 -0.015481 -0.016490 35O 1f-2 -0.017515 0.000832 -0.007720 0.006106 0.009395 -0.004119 35O 1f+3 0.007908 -0.010465 0.016155 -0.003413 0.002358 0.022541 35O 1f-3 -0.017516 0.001973 -0.035988 0.004737 -0.028467 -0.007040 546 547 548 549 550 551 3.57092 3.58621 3.62402 3.63206 3.66630 3.67249 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s 0.000312 0.000644 0.001034 0.000172 0.000615 0.000394 0Rh 2s -0.002640 -0.006379 -0.007530 -0.002014 -0.004860 -0.001813 0Rh 3s 0.000264 -0.000014 0.001612 -0.000187 0.000732 0.001249 0Rh 4s 0.014407 0.034730 0.041286 0.011015 0.026590 0.009991 0Rh 5s -0.031414 -0.079215 -0.085549 -0.026155 -0.055834 -0.016190 0Rh 6s 0.027496 0.084329 0.051347 0.030128 0.034603 -0.010074 0Rh 7s -0.058409 -0.267820 -0.038334 -0.138515 0.165163 0.085527 0Rh 8s 0.044780 0.030337 -0.082521 0.000448 0.020437 -0.089417 0Rh 1pz 0.000457 -0.003571 -0.006963 0.001601 -0.003882 0.000892 0Rh 1px -0.000559 -0.002620 -0.000880 0.004136 -0.000959 -0.000323 0Rh 1py 0.003491 0.000597 -0.003059 -0.004957 0.003497 -0.003595 0Rh 2pz -0.001657 0.013626 0.027014 -0.006220 0.014709 -0.003521 0Rh 2px 0.002086 0.009837 0.003471 -0.016079 0.003698 0.001335 0Rh 2py -0.012944 -0.002247 0.011835 0.019229 -0.012755 0.013962 0Rh 3pz 0.001493 -0.025735 -0.061038 0.014746 -0.025068 0.009295 0Rh 3px -0.002843 -0.014871 -0.009467 0.036420 -0.008098 -0.004613 0Rh 3py 0.016550 0.003725 -0.026369 -0.043532 0.011519 -0.031303 0Rh 4pz 0.006003 -0.003456 0.040118 -0.015129 -0.017329 -0.011878 0Rh 4px -0.005937 -0.020825 0.015586 -0.021052 0.006443 0.009153 0Rh 4py 0.037250 0.002327 0.017607 0.030116 0.056561 0.016981 0Rh 5pz -0.006094 0.035062 -0.000216 0.015110 0.073754 0.018357 0Rh 5px 0.019778 0.077627 -0.044003 -0.011745 -0.021757 -0.027072 0Rh 5py -0.098089 -0.007151 -0.001828 -0.007468 -0.122188 0.010438 0Rh 6pz -0.192740 0.141646 -1.017406 0.414634 0.085995 -0.028466 0Rh 6px -0.048230 -0.221964 0.473747 0.439458 0.405052 0.515288 0Rh 6py -0.241295 -0.004652 -0.532431 -0.649668 -0.589526 -0.402546 0Rh 1dz2 0.008406 0.009409 0.007341 -0.033780 -0.022516 0.090758 0Rh 1dxz -0.022779 0.011185 -0.011633 -0.022732 -0.003346 0.054323 0Rh 1dyz 0.011965 -0.005207 -0.005595 0.013000 0.038918 -0.022929 0Rh 1dx2y2 -0.000425 0.017862 -0.009117 -0.020430 0.030078 0.076437 0Rh 1dxy -0.023597 -0.003197 0.000029 -0.016634 -0.090537 -0.009787 0Rh 2dz2 -0.002847 0.001445 0.000995 -0.005476 -0.002620 0.014252 0Rh 2dxz -0.003007 0.001982 -0.000797 -0.003709 -0.001157 0.007753 0Rh 2dyz -0.008873 -0.000250 0.001915 -0.000408 0.006304 -0.003239 0Rh 2dx2y2 -0.001656 0.003023 -0.000233 -0.004652 0.003367 0.012038 0Rh 2dxy -0.007005 -0.000513 0.002127 -0.002242 -0.012793 -0.000337 0Rh 3dz2 -0.016237 -0.039525 -0.030344 0.144218 0.092043 -0.388176 0Rh 3dxz 0.093066 -0.048195 0.044270 0.097091 0.017045 -0.228651 0Rh 3dyz -0.001285 0.019305 0.010785 -0.043630 -0.167222 0.095779 0Rh 3dx2y2 0.009002 -0.076175 0.033246 0.093686 -0.122432 -0.327066 0Rh 3dxy 0.114363 0.013590 -0.010010 0.068994 0.380764 0.035986 0Rh 4dz2 -0.011336 0.047594 0.034825 -0.180023 -0.109850 0.493726 0Rh 4dxz -0.107276 0.060894 -0.040696 -0.120920 -0.025553 0.280869 0Rh 4dyz -0.078471 -0.017915 0.012450 0.026303 0.211210 -0.107123 0Rh 4dx2y2 -0.022736 0.093365 -0.031200 -0.133160 0.145024 0.413927 0Rh 4dxy -0.163021 -0.017291 0.033488 -0.082211 -0.474298 -0.028608 0Rh 5dz2 -0.058646 -0.022359 0.031990 0.106975 0.079569 -0.366383 0Rh 5dxz 0.055722 -0.054701 -0.070582 0.083506 0.025402 -0.129397 0Rh 5dyz -0.090404 -0.009724 -0.077689 0.154637 -0.080149 -0.112751 0Rh 5dx2y2 -0.002770 -0.046419 -0.029461 0.182805 -0.073779 -0.278625 0Rh 5dxy 0.035514 0.021562 -0.127055 0.021647 0.337035 -0.124495 0Rh 1f0 0.001734 -0.005204 -0.005186 0.013427 -0.010330 0.003547 0Rh 1f+1 -0.003863 0.003617 -0.028351 0.010844 0.002534 0.002314 0Rh 1f-1 -0.009709 0.005880 -0.009805 0.000329 -0.005244 0.000068 0Rh 1f+2 0.000834 -0.014195 0.005454 -0.008544 -0.015323 -0.002059 0Rh 1f-2 -0.024690 -0.001562 -0.001757 -0.018556 -0.014521 -0.017657 0Rh 1f+3 0.006303 0.005455 -0.009171 0.013434 0.002227 -0.000632 0Rh 1f-3 0.002806 -0.001079 -0.029463 -0.021387 0.015772 -0.006975 1Rh 1s 0.000322 0.000728 -0.001070 -0.000152 0.000685 -0.000465 1Rh 2s -0.002729 -0.006978 0.007849 0.001839 -0.005176 0.002582 1Rh 3s 0.000271 0.000122 -0.001638 0.000205 0.000955 -0.001208 1Rh 4s 0.014890 0.038015 -0.043030 -0.010060 0.028338 -0.014200 1Rh 5s -0.032460 -0.086003 0.089378 0.024107 -0.058664 0.026150 1Rh 6s 0.028379 0.088446 -0.054723 -0.028571 0.032788 -0.001947 1Rh 7s -0.058526 -0.267013 0.041684 0.140832 0.181913 -0.035319 1Rh 8s 0.040619 0.025442 0.084699 -0.001739 0.008600 0.092625 1Rh 1pz -0.000438 0.003732 -0.006910 0.001572 0.003674 0.001563 1Rh 1px 0.000570 0.002550 -0.000886 0.004138 0.001110 -0.000376 1Rh 1py -0.003555 -0.000356 -0.003059 -0.005028 -0.002969 -0.003852 1Rh 2pz 0.001577 -0.014250 0.026813 -0.006108 -0.013898 -0.006017 1Rh 2px -0.002126 -0.009562 0.003493 -0.016092 -0.004299 0.001547 1Rh 2py 0.013194 0.001317 0.011833 0.019499 0.010706 0.014880 1Rh 3pz -0.001215 0.027131 -0.060655 0.014461 0.023191 0.012561 1Rh 3px 0.002919 0.014202 -0.009502 0.036520 0.009718 -0.005137 1Rh 3py -0.017155 -0.001630 -0.026286 -0.044018 -0.006968 -0.031632 1Rh 4pz -0.006602 0.002706 0.040213 -0.014815 0.018723 -0.004709 1Rh 4px 0.005935 0.021324 0.015550 -0.021418 -0.008343 0.009117 1Rh 4py -0.036703 -0.003802 0.017257 0.029944 -0.058935 0.010804 1Rh 5pz 0.007220 -0.035399 -0.001084 0.014679 -0.074880 -0.001506 1Rh 5px -0.019835 -0.076975 -0.043876 -0.010672 0.025393 -0.022802 1Rh 5py 0.097429 0.007812 -0.001148 -0.006672 0.120832 0.022018 1Rh 6pz 0.193244 -0.133880 -1.019592 0.413521 -0.079890 -0.072091 1Rh 6px 0.050847 0.198765 0.471795 0.432165 -0.476192 0.430261 1Rh 6py 0.243624 0.031072 -0.533978 -0.643597 0.638121 -0.310819 1Rh 1dz2 0.008724 0.009265 -0.008416 0.035544 -0.011222 -0.094262 1Rh 1dxz -0.022806 0.010557 0.010815 0.024007 0.002931 -0.049051 1Rh 1dyz 0.011710 -0.005073 0.006396 -0.013904 0.036297 0.028220 1Rh 1dx2y2 -0.000248 0.017057 0.008107 0.022342 0.038232 -0.069772 1Rh 1dxy -0.023745 -0.003743 -0.000239 0.015971 -0.090790 -0.002218 1Rh 2dz2 -0.002801 0.001309 -0.001170 0.005799 -0.000881 -0.014660 1Rh 2dxz -0.003026 0.001850 0.000670 0.003915 -0.000301 -0.007184 1Rh 2dyz -0.008899 -0.000384 -0.001810 0.000371 0.005971 0.004035 1Rh 2dx2y2 -0.001602 0.002958 0.000077 0.004952 0.004725 -0.011111 1Rh 2dxy -0.007017 -0.000565 -0.002168 0.002148 -0.012644 -0.001479 1Rh 3dz2 -0.017552 -0.038389 0.034931 -0.151920 0.043942 0.402515 1Rh 3dxz 0.093242 -0.045404 -0.040806 -0.102537 -0.009162 0.207290 1Rh 3dyz -0.000275 0.019464 -0.014084 0.046982 -0.156471 -0.118267 1Rh 3dx2y2 0.008136 -0.073059 -0.028980 -0.101801 -0.157638 0.299084 1Rh 3dxy 0.114940 0.015734 0.010941 -0.066221 0.380930 0.015096 1Rh 4dz2 -0.009822 0.045075 -0.040547 0.189929 -0.049067 -0.510973 1Rh 4dxz -0.107601 0.057314 0.036399 0.127736 0.006085 -0.255854 1Rh 4dyz -0.079574 -0.019734 -0.008606 -0.029506 0.199867 0.135441 1Rh 4dx2y2 -0.021439 0.090065 0.026034 0.143156 0.190227 -0.379031 1Rh 4dxy -0.163666 -0.019523 -0.034707 0.078829 -0.471909 -0.035957 1Rh 5dz2 -0.058992 -0.015269 -0.028241 -0.113489 0.034730 0.378473 1Rh 5dxz 0.056123 -0.052280 0.073616 -0.087975 0.014104 0.119043 1Rh 5dyz -0.090197 -0.000382 0.076277 -0.155132 -0.099662 0.095801 1Rh 5dx2y2 -0.004383 -0.046545 0.031417 -0.187961 -0.108423 0.252867 1Rh 5dxy 0.036261 0.019855 0.127857 -0.018964 0.313888 0.169048 1Rh 1f0 -0.001670 0.004547 -0.005096 0.013738 0.009590 0.005912 1Rh 1f+1 0.003952 -0.002910 -0.028602 0.011008 -0.002642 0.001839 1Rh 1f-1 0.009816 -0.005891 -0.009873 0.000935 0.005258 -0.000033 1Rh 1f+2 -0.000800 0.014672 0.005400 -0.008135 0.015537 0.000447 1Rh 1f-2 0.024655 0.002521 -0.001564 -0.018843 0.016821 -0.016924 1Rh 1f+3 -0.006279 -0.005086 -0.009335 0.013678 -0.002196 -0.001331 1Rh 1f-3 -0.002899 0.002326 -0.029593 -0.021235 -0.014553 -0.009972 2C 1s -0.003745 -0.001535 -0.001514 0.003422 -0.000708 0.001155 2C 2s -0.009502 -0.002981 -0.005921 0.008220 -0.002036 0.002031 2C 3s -0.090100 -0.075161 0.104534 0.041402 0.058722 0.055538 2C 4s 0.451487 0.513968 -0.159423 -0.409912 -0.276892 -0.350585 2C 5s -2.377136 -0.278000 2.525190 0.149807 0.335310 0.215425 2C 1pz -0.046879 0.009659 0.009361 -0.015575 0.018287 0.027388 2C 1px 0.052556 0.002773 0.041862 -0.010132 0.006579 -0.017430 2C 1py -0.025960 -0.018805 -0.002239 -0.013577 0.023552 -0.048613 2C 2pz 0.178949 0.233473 -0.128929 -0.176246 -0.224887 0.067893 2C 2px 0.313751 -0.072004 -0.109597 0.047767 -0.043863 -0.064648 2C 2py 0.119523 0.059649 -0.015056 0.368471 -0.108545 -0.281730 2C 3pz -0.401077 -0.029302 0.575209 0.007407 0.043484 0.031174 2C 3px -0.112588 -0.011794 0.148344 0.028599 0.031654 0.069712 2C 3py -0.204546 -0.029478 0.365883 -0.060139 0.003064 0.042176 2C 1dz2 -0.054858 -0.005776 -0.027325 -0.015030 0.020123 -0.086320 2C 1dxz -0.176140 0.020228 -0.084849 -0.027120 0.032752 -0.140331 2C 1dyz 0.009432 -0.014076 0.021659 0.034494 0.018091 0.002242 2C 1dx2y2 0.120190 -0.029915 0.051942 -0.001966 0.011792 -0.146474 2C 1dxy -0.022675 0.065649 -0.003966 -0.083075 -0.018472 0.117162 2C 2dz2 0.140235 0.039319 0.002779 -0.072185 -0.079130 0.068435 2C 2dxz 0.121290 -0.081363 0.147577 0.162051 -0.077610 0.187186 2C 2dyz 0.218433 0.059074 -0.112437 0.102882 -0.106179 -0.069519 2C 2dx2y2 -0.036644 -0.010393 -0.135534 -0.063717 0.048320 -0.008924 2C 2dxy 0.058593 -0.056427 -0.074346 0.023625 -0.022984 0.045247 2C 1f0 0.006295 0.027019 -0.000128 -0.058292 0.000938 -0.005915 2C 1f+1 -0.146113 0.084942 -0.023317 -0.018842 -0.006776 -0.081374 2C 1f-1 0.225881 -0.082837 0.047428 0.104177 -0.037468 -0.011689 2C 1f+2 0.022805 -0.228515 0.005841 0.225477 -0.004183 0.030132 2C 1f-2 -0.011909 -0.109536 -0.003537 0.096823 -0.034122 0.151595 2C 1f+3 -0.007866 0.062156 0.001590 -0.041201 -0.042660 0.150452 2C 1f-3 -0.050178 -0.232787 0.001251 0.236423 -0.022134 0.082137 3C 1s 0.004925 -0.002788 0.005362 0.000947 -0.000783 -0.000177 3C 2s 0.013320 -0.005980 0.012451 0.003730 -0.003817 0.000448 3C 3s 0.056184 -0.098722 0.102008 -0.063714 0.089633 -0.032583 3C 4s -0.441037 0.673184 -0.805219 0.032801 -0.399054 0.046630 3C 5s 2.227058 -0.399143 0.459666 -2.284070 0.528641 -0.720915 3C 1pz 0.082446 0.000580 -0.030379 0.021511 -0.023488 0.026823 3C 1px -0.038711 0.000358 -0.021386 -0.045785 -0.101394 0.055651 3C 1py -0.011214 0.001983 -0.000021 0.004219 -0.039506 0.024193 3C 2pz 0.081400 0.109623 0.188388 -0.147631 -0.325113 0.070659 3C 2px -0.268519 -0.062356 0.216751 -0.063833 -0.159175 0.433418 3C 2py 0.195780 -0.205858 0.216122 -0.152884 0.014471 0.246621 3C 3pz 0.100929 -0.053017 -0.039046 -0.281778 0.119452 -0.076290 3C 3px 0.157291 -0.021503 0.026624 -0.169005 0.104569 -0.143192 3C 3py -0.349878 0.027434 -0.061286 0.539513 -0.101253 0.154104 3C 1dz2 -0.034689 -0.027230 0.085823 -0.001166 0.024036 0.006396 3C 1dxz 0.124949 0.035535 0.003528 0.094740 0.136378 -0.208529 3C 1dyz 0.136938 0.036811 -0.074798 0.016255 -0.111753 0.038296 3C 1dx2y2 -0.209505 -0.001927 0.041739 -0.032229 0.129300 -0.134353 3C 1dxy -0.142855 -0.031069 0.048022 0.022748 0.209665 -0.087925 3C 2dz2 0.047650 0.012310 0.043749 -0.134068 -0.159610 0.079965 3C 2dxz -0.073704 -0.060624 0.117768 -0.016913 0.299773 -0.090011 3C 2dyz 0.069014 -0.092352 0.054034 -0.061058 0.320786 -0.105434 3C 2dx2y2 0.250970 -0.026992 -0.039570 0.093862 -0.025942 0.188274 3C 2dxy 0.218083 0.083680 -0.233726 -0.016207 -0.328910 0.042813 3C 1f0 0.215868 0.081440 -0.137456 -0.024915 -0.212457 0.164456 3C 1f+1 0.061465 -0.149723 0.182313 -0.002317 0.001655 -0.070482 3C 1f-1 0.055469 -0.049030 0.026072 0.047808 0.118254 -0.052172 3C 1f+2 0.198241 0.009840 0.007934 0.081229 0.206786 -0.104323 3C 1f-2 -0.074651 -0.175736 0.191025 -0.075853 -0.230489 0.152141 3C 1f+3 0.023623 -0.108102 0.156752 -0.003689 0.082282 0.049410 3C 1f-3 -0.060323 -0.094715 0.107474 0.050517 0.263960 -0.057334 4C 1s 0.000679 -0.000649 -0.002354 0.003102 -0.001080 0.003073 4C 2s 0.000679 -0.002395 -0.003007 0.008739 -0.003141 0.008900 4C 3s 0.530662 0.031445 -0.258756 -0.081384 -0.026453 -0.060474 4C 4s -2.957171 -0.030075 1.447101 0.013739 0.346673 -0.094305 4C 5s -2.659983 0.186591 -1.077162 0.012558 0.211924 -0.313488 4C 1pz 0.068238 -0.085658 0.062442 0.079024 -0.012113 0.061532 4C 1px -0.001882 0.010220 0.006343 0.009392 -0.022429 0.030583 4C 1py 0.025338 0.043093 0.047479 -0.035324 -0.005628 -0.000068 4C 2pz -0.410346 0.619982 0.008379 -0.329021 -0.126586 -0.302319 4C 2px 0.261352 -0.101596 -0.003095 -0.069959 -0.019688 -0.323093 4C 2py -0.066333 -0.254522 0.008056 0.331364 -0.142635 0.007669 4C 3pz -3.345780 -0.152552 1.992837 -0.081299 0.385354 0.019206 4C 3px -0.765743 -0.055038 0.333216 -0.060503 0.048709 0.031429 4C 3py -2.372503 0.055980 1.327627 -0.014518 0.286283 0.058238 4C 1dz2 0.014776 0.029998 0.005886 0.084739 -0.002739 0.019808 4C 1dxz -0.041483 0.023261 -0.001993 0.033885 -0.018410 0.031052 4C 1dyz 0.038526 0.011211 -0.016210 -0.078131 -0.003758 -0.058834 4C 1dx2y2 0.016333 0.017984 -0.008376 0.068767 -0.007435 -0.010225 4C 1dxy -0.007390 0.014899 -0.018223 -0.029197 -0.007968 0.005488 4C 2dz2 0.072555 0.197262 -0.171731 -0.555888 0.109917 -0.095316 4C 2dxz 0.446149 -0.264186 -0.246593 0.043371 0.008803 0.078698 4C 2dyz -0.280800 -0.209931 0.054439 0.274398 0.118436 0.085587 4C 2dx2y2 -0.588156 0.148686 0.368261 -0.268911 -0.006997 -0.105491 4C 2dxy -0.268680 -0.119851 0.167566 0.139811 -0.047301 0.128805 4C 1f0 0.092892 0.042561 -0.020514 -0.028169 -0.006735 0.043505 4C 1f+1 0.102960 -0.226676 -0.007063 0.306240 -0.013194 0.088010 4C 1f-1 0.026291 0.079491 -0.006988 -0.076345 0.033460 -0.110116 4C 1f+2 -0.180300 0.213235 0.047070 -0.144733 0.017067 -0.066404 4C 1f-2 -0.025793 0.257448 0.000041 -0.333888 -0.007726 0.004738 4C 1f+3 -0.087483 -0.209137 0.014327 0.277093 -0.046908 0.262317 4C 1f-3 -0.002003 0.345158 -0.073569 -0.391369 0.023326 -0.047030 5C 1s -0.000788 -0.001512 0.004261 0.003399 0.004414 -0.001743 5C 2s -0.001934 -0.004925 0.012651 0.006458 0.012824 -0.006425 5C 3s -0.487769 0.086343 -0.161405 0.206994 -0.030662 0.128553 5C 4s 2.873866 -0.155974 0.191218 -1.309185 -0.510853 -0.366048 5C 5s 2.747913 0.132784 -0.128707 0.896135 -0.838641 0.334640 5C 1pz -0.047636 0.001003 -0.007955 -0.039749 0.018714 -0.017273 5C 1px -0.001516 0.045598 -0.016981 0.000302 0.078215 -0.025517 5C 1py 0.077665 0.082045 -0.112701 0.041488 -0.077691 0.050378 5C 2pz 0.258378 -0.023116 0.174747 0.035471 0.106918 -0.207121 5C 2px -0.274303 -0.274127 0.233811 -0.310762 -1.049774 0.439865 5C 2py -0.426291 -0.568261 0.537529 0.081754 0.376217 0.022209 5C 3pz 1.949586 0.017212 0.132830 -1.100500 -0.024531 -0.362049 5C 3px 1.269687 -0.086295 -0.003607 -0.635964 0.201183 -0.247270 5C 3py -3.194931 0.249231 -0.077929 1.806408 -0.039019 0.535191 5C 1dz2 -0.009753 -0.010328 -0.073464 0.002763 0.046634 -0.014630 5C 1dxz 0.017608 0.009556 -0.068198 0.034370 0.056806 -0.055956 5C 1dyz 0.019625 -0.032970 0.102839 0.004293 0.099632 -0.041659 5C 1dx2y2 0.030364 0.008891 -0.095110 0.021467 -0.012731 -0.020271 5C 1dxy -0.004659 -0.024377 0.042094 -0.015872 -0.031537 0.023019 5C 2dz2 -0.319836 -0.046983 0.269541 0.105271 -0.222423 0.149087 5C 2dxz -0.351657 -0.232286 0.389374 0.225482 0.315340 0.134759 5C 2dyz -0.425505 0.074031 -0.169151 0.141217 0.090940 0.048039 5C 2dx2y2 0.332916 -0.174623 0.541515 -0.364808 0.114204 -0.074870 5C 2dxy 0.156779 0.350689 -0.415775 -0.109831 -0.269748 -0.233419 5C 1f0 -0.116453 0.011164 -0.043607 -0.049715 -0.246155 0.171272 5C 1f+1 0.047305 0.304505 -0.447071 0.164038 0.277238 -0.165695 5C 1f-1 -0.004998 0.150718 -0.166666 0.018907 0.135702 -0.109770 5C 1f+2 0.079164 -0.250625 0.398772 0.061371 0.329602 -0.179242 5C 1f-2 0.133823 0.140239 -0.144448 -0.048766 -0.084348 0.050399 5C 1f+3 -0.051708 0.009390 0.021832 0.046679 0.105371 0.031412 5C 1f-3 0.172116 0.170798 -0.272345 -0.002168 0.008504 -0.030827 6C 1s -0.000718 -0.001278 -0.004225 -0.003505 0.004196 0.002293 6C 2s -0.001682 -0.004324 -0.012522 -0.006786 0.011996 0.008112 6C 3s -0.492476 0.087084 0.158904 -0.201260 -0.013073 -0.137864 6C 4s 2.884496 -0.189619 -0.189295 1.297420 -0.561343 0.329455 6C 5s 2.736866 0.147039 0.120649 -0.904052 -0.785171 -0.416250 6C 1pz 0.046108 -0.001497 -0.009823 -0.038982 -0.016304 -0.019307 6C 1px 0.001241 -0.044205 -0.017749 -0.000325 -0.073319 -0.036654 6C 1py -0.076731 -0.079916 -0.112866 0.039307 0.071185 0.061196 6C 2pz -0.252420 0.027621 0.182518 0.039690 -0.076927 -0.216767 6C 2px 0.275886 0.267635 0.239291 -0.304522 0.963228 0.575109 6C 2py 0.418905 0.550109 0.542892 0.085456 -0.378088 -0.038775 6C 3pz -1.959621 0.009926 0.130523 -1.088843 0.074274 -0.378792 6C 3px -1.277162 0.099664 -0.005520 -0.626410 -0.162326 -0.287874 6C 3py 3.208130 -0.298720 -0.077139 1.779227 -0.036680 0.568154 6C 1dz2 -0.008751 -0.012454 0.072552 -0.002227 0.044983 0.022316 6C 1dxz 0.018375 0.008420 0.067541 -0.033760 0.048392 0.063329 6C 1dyz 0.022419 -0.029120 -0.101475 -0.006544 0.092854 0.054517 6C 1dx2y2 0.027826 0.005920 0.094148 -0.019006 -0.016319 0.020379 6C 1dxy -0.004952 -0.023882 -0.042223 0.015412 -0.026554 -0.027110 6C 2dz2 -0.323063 -0.040601 -0.273727 -0.104334 -0.200427 -0.186002 6C 2dxz -0.354560 -0.213425 -0.390964 -0.227354 0.330069 -0.090830 6C 2dyz -0.428896 0.075762 0.167970 -0.139047 0.100922 -0.040036 6C 2dx2y2 0.338300 -0.168247 -0.542929 0.350495 0.108654 0.085063 6C 2dxy 0.156501 0.332237 0.421234 0.114624 -0.306016 0.189077 6C 1f0 0.114780 -0.011724 -0.044240 -0.049763 0.215692 0.201592 6C 1f+1 -0.047115 -0.299886 -0.456384 0.157458 -0.246467 -0.201710 6C 1f-1 0.002196 -0.151116 -0.173924 0.016352 -0.116984 -0.127428 6C 1f+2 -0.078864 0.242183 0.403663 0.067287 -0.300503 -0.221057 6C 1f-2 -0.134547 -0.134992 -0.147096 -0.049841 0.078402 0.062278 6C 1f+3 0.049826 -0.010938 0.023612 0.046722 -0.108310 0.019455 6C 1f-3 -0.171281 -0.165827 -0.276927 -0.005570 -0.002306 -0.032076 7C 1s 0.000598 -0.000494 0.002348 -0.002934 -0.000739 -0.002807 7C 2s 0.000443 -0.001856 0.003014 -0.008274 -0.002144 -0.008057 7C 3s 0.532249 0.018246 0.258770 0.073733 -0.034216 0.052478 7C 4s -2.952206 0.012744 -1.446925 0.000303 0.341254 0.094025 7C 5s -2.649989 0.158882 1.076342 -0.003037 0.174339 0.275018 7C 1pz -0.067604 0.079167 0.062979 0.078006 0.004842 0.055656 7C 1px 0.002141 -0.006952 0.006644 0.011082 0.019017 0.029642 7C 1py -0.025143 -0.044059 0.045888 -0.037644 0.005886 -0.004292 7C 2pz 0.406899 -0.592700 0.004326 -0.330265 0.164451 -0.271768 7C 2px -0.265129 0.078821 -0.003995 -0.078276 0.047101 -0.252259 7C 2py 0.065325 0.247396 0.016786 0.342108 0.138712 0.052041 7C 3pz 3.344430 0.103164 1.989333 -0.104548 -0.390695 -0.017393 7C 3px 0.759308 0.046561 0.328831 -0.065510 -0.052862 0.016799 7C 3py 2.376579 -0.093163 1.324698 -0.034376 -0.295888 0.025849 7C 1dz2 0.013550 0.033474 -0.005749 -0.083833 0.000758 -0.022503 7C 1dxz -0.043074 0.023742 0.002222 -0.033175 -0.014779 -0.028828 7C 1dyz 0.039833 0.006911 0.016062 0.074734 -0.010817 0.052366 7C 1dx2y2 0.016715 0.018550 0.008165 -0.068649 -0.007857 0.005671 7C 1dxy -0.006207 0.011667 0.018028 0.027774 -0.007290 -0.008187 7C 2dz2 0.074786 0.166600 0.174037 0.556892 0.091972 0.101187 7C 2dxz 0.448624 -0.245061 0.247581 -0.038805 0.019140 -0.049676 7C 2dyz -0.281245 -0.198642 -0.055424 -0.272257 0.131517 -0.070928 7C 2dx2y2 -0.589313 0.153655 -0.366743 0.276415 -0.020242 0.099962 7C 2dxy -0.269362 -0.091625 -0.166332 -0.127243 -0.032213 -0.103723 7C 1f0 -0.092470 -0.041801 -0.022805 -0.030187 0.002561 0.043201 7C 1f+1 -0.100947 0.217618 -0.005163 0.314257 0.000590 0.081727 7C 1f-1 -0.026256 -0.073108 -0.008153 -0.073147 -0.020729 -0.103317 7C 1f+2 0.181763 -0.207553 0.042437 -0.149389 -0.007627 -0.074971 7C 1f-2 0.025739 -0.255651 -0.004470 -0.344788 0.009531 -0.009298 7C 1f+3 0.086084 0.205473 0.019369 0.283225 0.018526 0.240647 7C 1f-3 0.002050 -0.328725 -0.078961 -0.398667 -0.012622 -0.065247 8C 1s 0.004865 -0.002590 -0.005273 -0.001075 -0.000803 0.000091 8C 2s 0.013107 -0.005477 -0.012232 -0.004029 -0.003730 -0.000942 8C 3s 0.059496 -0.096991 -0.100921 0.063101 0.083187 0.047108 8C 4s -0.449005 0.647309 0.796327 -0.025296 -0.382913 -0.115829 8C 5s 2.245047 -0.445639 -0.453093 2.257617 0.424947 0.803248 8C 1pz -0.080433 0.000675 -0.028674 0.020086 0.020295 0.030154 8C 1px 0.038958 0.001557 -0.020711 -0.046652 0.091463 0.068036 8C 1py 0.013235 -0.001648 0.000723 0.004359 0.034767 0.029950 8C 2pz -0.078201 -0.109513 0.189371 -0.144396 0.315526 0.133666 8C 2px 0.273354 0.056047 0.220131 -0.056183 0.089661 0.453917 8C 2py -0.200491 0.203693 0.220747 -0.153785 -0.044130 0.236309 8C 3pz -0.104452 0.060457 -0.040795 -0.277268 -0.108981 -0.091298 8C 3px -0.159299 0.026098 0.025562 -0.167052 -0.081126 -0.157034 8C 3py 0.353772 -0.039922 -0.061219 0.535357 0.080112 0.170427 8C 1dz2 -0.031808 -0.024358 -0.086862 -0.000287 0.026765 0.000511 8C 1dxz 0.125168 0.037892 -0.000639 -0.094282 0.104765 0.227146 8C 1dyz 0.132682 0.033440 0.072636 -0.015230 -0.105797 -0.054634 8C 1dx2y2 -0.203001 -0.000008 -0.037826 0.031631 0.108857 0.151847 8C 1dxy -0.142327 -0.027894 -0.046471 -0.024515 0.196464 0.117788 8C 2dz2 0.049875 0.010271 -0.042391 0.132811 -0.146775 -0.104058 8C 2dxz -0.072434 -0.056695 -0.115585 0.012926 0.284260 0.125962 8C 2dyz 0.076510 -0.091297 -0.053810 0.060594 0.302874 0.155654 8C 2dx2y2 0.243650 -0.027026 0.034652 -0.090970 -0.002302 -0.189357 8C 2dxy 0.216591 0.075008 0.233644 0.022486 -0.323809 -0.086708 8C 1f0 -0.212558 -0.074272 -0.133720 -0.027367 0.189637 0.193354 8C 1f+1 -0.059285 0.150451 0.191874 -0.000161 0.004911 -0.072995 8C 1f-1 -0.053938 0.050839 0.032278 0.047991 -0.109198 -0.067166 8C 1f+2 -0.198308 -0.016681 0.000410 0.082124 -0.187691 -0.131994 8C 1f-2 0.074258 0.173549 0.195981 -0.072824 0.204298 0.181580 8C 1f+3 -0.023692 0.103572 0.159507 0.000517 -0.088462 0.040901 8C 1f-3 0.058904 0.093296 0.113432 0.050876 -0.252437 -0.092844 9C 1s -0.003739 -0.001392 0.001483 -0.003173 -0.000544 -0.001220 9C 2s -0.009469 -0.002735 0.005836 -0.007612 -0.001724 -0.002385 9C 3s -0.091226 -0.067280 -0.104727 -0.037888 0.065307 -0.042551 9C 4s 0.454792 0.474254 0.162146 0.380606 -0.319373 0.287129 9C 5s -2.383410 -0.197233 -2.522775 -0.115985 0.363045 -0.146692 9C 1pz 0.048003 -0.010460 0.008362 -0.016073 -0.021319 0.023234 9C 1px -0.051756 -0.003242 0.041961 -0.010441 -0.004886 -0.012225 9C 1py 0.023818 0.020341 -0.000569 -0.011471 -0.018322 -0.045025 9C 2pz -0.173798 -0.219862 -0.124077 -0.183410 0.220202 0.093345 9C 2px -0.313631 0.066293 -0.110388 0.041378 0.051622 -0.059712 9C 2py -0.127792 -0.065397 -0.019712 0.372388 0.135578 -0.244747 9C 3pz 0.398867 0.013672 0.571280 0.004442 -0.048157 0.020230 9C 3px 0.111950 0.007979 0.147043 0.027380 -0.039931 0.061674 9C 3py 0.211687 0.021584 0.369936 -0.064374 -0.008443 0.032112 9C 1dz2 -0.050733 -0.007722 0.025078 0.014969 0.010382 0.082827 9C 1dxz -0.172515 0.013396 0.083813 0.022444 0.017712 0.125455 9C 1dyz 0.006600 -0.011889 -0.020738 -0.033608 0.018760 -0.001620 9C 1dx2y2 0.121745 -0.032101 -0.053033 -0.002565 -0.003682 0.140270 9C 1dxy -0.024232 0.063342 0.003787 0.086348 -0.006292 -0.109459 9C 2dz2 0.136795 0.035437 -0.002042 0.074851 -0.071915 -0.077610 9C 2dxz 0.116013 -0.063652 -0.146013 -0.155322 -0.056946 -0.156191 9C 2dyz 0.220085 0.057011 0.111150 -0.102179 -0.113280 0.049635 9C 2dx2y2 -0.036237 -0.015823 0.135747 0.059891 0.046936 0.003047 9C 2dxy 0.061838 -0.053942 0.073499 -0.021776 -0.019057 -0.030751 9C 1f0 -0.005794 -0.021818 0.000975 -0.056762 -0.000797 0.007175 9C 1f+1 0.146477 -0.087498 -0.024370 -0.025796 0.016155 -0.086119 9C 1f-1 -0.224059 0.076762 0.047972 0.105545 0.037445 -0.006645 9C 1f+2 -0.020787 0.217043 0.009112 0.227880 -0.001056 0.028112 9C 1f-2 0.011762 0.112599 -0.001918 0.109323 0.018600 0.133735 9C 1f+3 0.009827 -0.075295 -0.000683 -0.059713 0.027400 0.128127 9C 1f-3 0.050163 0.223737 0.005439 0.241313 0.011803 0.090813 10H 1s 0.094987 -0.051899 0.075268 0.071477 -0.028996 0.062711 10H 2s -0.422639 0.004348 0.021630 0.090839 -0.022601 0.190004 10H 3s 0.254200 0.023270 -0.144560 -0.055213 -0.050849 -0.066783 10H 1pz -0.206823 0.077067 -0.027853 -0.035387 -0.005572 0.026493 10H 1px 0.147088 0.017599 0.036548 -0.040964 -0.000098 -0.059108 10H 1py -0.060578 -0.101000 0.017198 0.108854 -0.028247 0.131168 11H 1s -0.039096 -0.004245 -0.060646 0.018608 0.003661 -0.071741 11H 2s 0.069559 -0.023900 -0.072867 -0.076076 -0.026834 0.227897 11H 3s 0.073019 0.018769 -0.090484 0.007599 -0.004199 -0.053443 11H 1pz 0.118691 -0.094097 0.049891 0.040348 -0.027349 0.169879 11H 1px -0.019510 0.117953 -0.039635 -0.119946 -0.008090 0.084355 11H 1py -0.002623 0.054436 0.009240 -0.083868 0.003493 -0.009692 12H 1s 0.006811 0.003757 -0.011278 0.014464 -0.014962 0.067220 12H 2s 0.002354 -0.120276 0.000298 0.304220 0.034271 -0.282746 12H 3s 0.143550 0.061573 -0.127818 -0.118187 -0.034299 0.070102 12H 1pz 0.051755 -0.018066 0.036573 0.055777 -0.001622 -0.029985 12H 1px -0.038341 -0.144150 -0.046747 0.170513 0.014339 -0.082431 12H 1py 0.049458 -0.026659 0.037054 0.100428 0.028409 -0.185687 13H 1s -0.139568 -0.066941 0.109712 -0.023109 0.170104 -0.045872 13H 2s 0.442121 -0.058167 0.179416 0.070213 0.244479 -0.352674 13H 3s -0.299099 0.041050 -0.087891 0.105333 -0.060367 0.138940 13H 1pz 0.138547 -0.088535 0.151555 0.044308 0.149475 -0.188317 13H 1px -0.173038 -0.034822 0.023458 -0.040219 0.047085 0.013252 13H 1py -0.204907 -0.052879 0.037073 -0.049356 -0.072002 0.096089 14H 1s -0.051373 -0.016441 0.051506 0.004288 0.045592 -0.081847 14H 2s 0.060532 -0.121935 0.292396 -0.166503 -0.474395 0.455385 14H 3s -0.167804 0.054592 -0.130228 0.161915 0.110224 -0.105059 14H 1pz -0.071728 0.018125 0.013916 -0.089664 -0.104427 0.144716 14H 1px 0.080285 -0.099793 0.145780 -0.064325 -0.271919 0.253107 14H 1py 0.036949 0.043864 -0.078083 0.052419 0.087104 -0.088245 15H 1s 0.112045 0.009212 -0.014486 0.031934 -0.112875 0.078872 15H 2s -0.096832 -0.105552 0.069359 0.133612 0.176630 -0.152282 15H 3s -0.047400 0.066063 -0.045362 0.064387 -0.120246 0.066442 15H 1pz -0.011658 0.011597 -0.036491 -0.032138 -0.006156 0.005099 15H 1px 0.025477 0.099217 -0.115258 0.048127 0.060198 -0.087281 15H 1py 0.173604 0.099351 -0.112857 -0.016017 -0.188449 0.134337 16H 1s -0.002756 -0.018621 -0.073460 -0.034842 -0.080654 -0.013620 16H 2s 0.110110 -0.085116 0.148743 -0.034351 -0.224644 0.061448 16H 3s 0.042240 0.028064 -0.059150 0.021241 0.025642 0.008755 16H 1pz 0.027147 -0.045231 -0.021810 -0.044393 -0.165759 0.008057 16H 1px -0.013735 -0.001950 -0.001645 0.001240 0.004199 0.001099 16H 1py 0.012880 -0.014329 -0.022774 -0.022928 -0.046831 -0.013514 17H 1s -0.010066 -0.006898 -0.043070 -0.047259 -0.081922 -0.045243 17H 2s -0.045616 -0.054281 0.015767 0.043271 -0.103531 0.128022 17H 3s -0.067347 0.004474 0.024650 -0.027099 -0.012020 -0.040472 17H 1pz 0.004925 0.019163 0.021671 0.028270 0.085452 -0.013279 17H 1px 0.021015 0.019516 0.026129 0.025549 0.075227 -0.007661 17H 1py -0.004011 -0.007303 -0.039775 -0.026001 -0.045348 -0.010061 18H 1s -0.007756 -0.007942 0.044057 0.044811 -0.087802 0.044772 18H 2s -0.036342 -0.049790 -0.016925 -0.040067 -0.090508 -0.117055 18H 3s -0.065843 0.003486 -0.025742 0.026801 -0.015628 0.027495 18H 1pz -0.001744 -0.019301 0.022801 0.027699 -0.085657 -0.008989 18H 1px -0.017222 -0.019595 0.025698 0.025539 -0.075109 -0.007238 18H 1py 0.000644 0.006861 -0.039480 -0.024882 0.045495 -0.014020 19H 1s -0.000719 -0.020429 0.075122 0.032320 -0.079900 0.013890 19H 2s 0.119129 -0.084594 -0.150148 0.030752 -0.213115 -0.062602 19H 3s 0.040331 0.027206 0.058036 -0.019469 0.022903 -0.007752 19H 1pz -0.032011 0.046602 -0.022496 -0.040608 0.160501 0.008727 19H 1px 0.013955 0.000904 -0.001905 0.001957 -0.006136 0.001083 19H 1py -0.016175 0.016682 -0.023563 -0.022202 0.050316 -0.014204 20H 1s 0.107074 0.008315 0.012927 -0.031179 -0.101121 -0.095163 20H 2s -0.095635 -0.097278 -0.061992 -0.136123 0.154931 0.182299 20H 3s -0.049905 0.064847 0.042296 -0.061815 -0.110985 -0.082659 20H 1pz 0.011849 -0.009237 -0.034592 -0.033124 0.004967 0.005400 20H 1px -0.026110 -0.098882 -0.120264 0.047168 -0.046633 -0.096714 20H 1py -0.170163 -0.094816 -0.110171 -0.018324 0.169856 0.163467 21H 1s -0.048272 -0.014066 -0.049241 -0.005968 0.034231 0.088012 21H 2s 0.057656 -0.117509 -0.295274 0.160833 -0.404324 -0.518735 21H 3s -0.166864 0.055467 0.132136 -0.159673 0.092533 0.118510 21H 1pz 0.070249 -0.018163 0.011941 -0.088846 0.083342 0.159816 21H 1px -0.076314 0.099182 0.150928 -0.062063 0.232416 0.289341 21H 1py -0.037508 -0.042935 -0.079192 0.050360 -0.071894 -0.099494 22H 1s -0.136886 -0.063450 -0.108722 0.020753 0.163625 0.069244 22H 2s 0.442727 -0.051825 -0.173939 -0.072951 0.187393 0.378973 22H 3s -0.298950 0.042023 0.086150 -0.103728 -0.037657 -0.146126 22H 1pz -0.138518 0.084865 0.151871 0.046259 -0.119924 -0.205443 22H 1px 0.170368 0.034398 0.023973 -0.039200 -0.049771 0.006303 22H 1py 0.204222 0.053412 0.039717 -0.048854 0.054976 0.102810 23H 1s 0.003584 0.005489 0.013299 -0.011904 -0.007845 -0.064012 23H 2s 0.008714 -0.112061 0.001003 -0.304049 0.008383 0.251861 23H 3s 0.139764 0.053359 0.126661 0.117453 -0.028049 -0.065036 23H 1pz -0.051448 0.014218 0.036966 0.055112 0.003958 -0.026666 23H 1px 0.035277 0.142283 -0.044081 0.175339 -0.007022 -0.067768 23H 1py -0.051959 0.024382 0.036241 0.100879 -0.009882 -0.173450 24H 1s -0.035492 -0.006915 0.058318 -0.019306 -0.004286 0.064821 24H 2s 0.063071 -0.021099 0.070035 0.091764 -0.003008 -0.217591 24H 3s 0.078123 0.012431 0.092143 -0.014665 -0.009097 0.044527 24H 1pz -0.115134 0.088120 0.051298 0.036175 0.008778 0.159279 24H 1px 0.022131 -0.114818 -0.041407 -0.128296 0.000336 0.079599 24H 1py 0.001672 -0.052988 0.006710 -0.084789 -0.001589 -0.011311 25H 1s 0.093244 -0.044300 -0.075279 -0.068428 -0.022000 -0.051156 25H 2s -0.423806 0.011430 -0.023446 -0.080461 -0.001100 -0.172458 25H 3s 0.254465 0.016727 0.145027 0.049689 -0.058013 0.056469 25H 1pz 0.206531 -0.076081 -0.027855 -0.040191 0.003125 0.020173 25H 1px -0.146244 -0.017751 0.035369 -0.040214 0.007127 -0.058472 25H 1py 0.061531 0.095900 0.018194 0.109474 0.013258 0.122872 26O 1s -0.027713 -0.001873 0.015699 0.001661 0.006825 -0.003794 26O 2s -0.096233 -0.006031 0.055414 0.005172 0.024539 -0.012473 26O 3s 0.731037 0.025305 -0.429830 -0.022843 -0.211688 0.080949 26O 4s -1.379281 0.072308 0.819086 -0.088536 0.508881 -0.163617 26O 5s 4.093840 0.151558 -2.281372 -0.068986 -0.706463 0.405449 26O 1pz 0.041344 0.046094 -0.132341 -0.061077 -0.005288 -0.000172 26O 1px 0.079581 0.036858 -0.088837 -0.036812 -0.016126 -0.024647 26O 1py 0.065044 -0.127803 -0.107256 0.156582 -0.029545 0.065359 26O 2pz -0.155277 -0.157399 0.376875 0.191595 0.009221 0.006158 26O 2px -0.398150 -0.221079 0.359685 0.205115 -0.001981 0.047675 26O 2py -0.270150 0.331768 0.343606 -0.457865 0.082295 -0.276556 26O 3pz 0.473773 0.141108 -0.729318 -0.114146 -0.184289 0.017295 26O 3px -0.888674 0.081797 0.063402 -0.037667 0.036828 -0.243433 26O 3py -0.051082 -0.021242 -0.405192 0.139295 -0.070905 0.093862 26O 1dz2 0.005177 -0.001665 -0.005043 0.005637 0.002074 -0.001894 26O 1dxz 0.002561 -0.010145 -0.005966 0.007340 0.001050 -0.004507 26O 1dyz 0.004551 0.001933 -0.009595 -0.000837 -0.001988 0.002378 26O 1dx2y2 -0.002516 -0.013099 0.003901 0.009837 -0.002428 0.009353 26O 1dxy 0.000885 0.007472 -0.003338 -0.006555 0.000624 -0.012261 26O 2dz2 -0.066529 0.054462 0.003926 -0.061919 -0.009096 -0.049494 26O 2dxz -0.032459 0.111688 -0.058397 -0.144352 0.028916 -0.055231 26O 2dyz -0.007366 0.025210 -0.049022 -0.011574 -0.014701 0.053397 26O 2dx2y2 0.074936 0.187789 -0.021071 -0.228327 0.034769 -0.148296 26O 2dxy 0.068169 -0.154699 -0.059696 0.206727 -0.027293 0.170656 26O 1f0 -0.000614 0.013435 0.000545 -0.015914 0.001886 0.010151 26O 1f+1 -0.006434 0.029577 -0.005710 -0.036962 -0.004402 0.012437 26O 1f-1 -0.010297 0.022239 -0.004819 -0.025536 0.000568 -0.003579 26O 1f+2 0.010552 0.027863 -0.005857 -0.034995 0.000271 -0.004022 26O 1f-2 -0.015391 0.006022 0.002475 0.008682 -0.001543 0.006651 26O 1f+3 0.008361 -0.029715 -0.004864 0.023684 -0.004726 0.022750 26O 1f-3 0.019818 -0.004413 -0.001316 0.014443 0.002516 -0.007918 27O 1s 0.028485 -0.003577 -0.001046 -0.012578 -0.008279 -0.001183 27O 2s 0.098800 -0.011763 -0.004743 -0.043417 -0.026507 -0.004928 27O 3s -0.754504 0.061923 0.080159 0.306948 0.133032 0.066918 27O 4s 1.471963 0.062819 -0.437370 -0.530779 -0.150336 -0.206820 27O 5s -4.051783 0.271502 0.034316 2.203697 1.117681 0.226526 27O 1pz -0.009751 -0.111914 0.159593 0.054517 0.095152 -0.001515 27O 1px -0.094219 -0.035873 0.054724 0.085869 0.012411 0.019322 27O 1py 0.028449 -0.048063 0.065297 -0.111004 -0.060461 -0.015445 27O 2pz 0.032990 0.338421 -0.526041 -0.175622 -0.364521 0.062396 27O 2px 0.425131 -0.054718 0.045716 -0.451483 -0.335434 0.051341 27O 2py -0.137587 0.179720 -0.249540 0.378965 0.282621 0.036020 27O 3pz -0.368485 -0.049591 0.169384 0.462759 0.180044 -0.001135 27O 3px 0.838996 -0.000694 -0.060096 -0.048656 -0.230512 0.023121 27O 3py 0.309467 -0.146123 0.187662 -0.637148 -0.174609 -0.016724 27O 1dz2 -0.001095 0.003497 -0.002259 0.002808 0.009374 -0.003320 27O 1dxz -0.003214 0.010928 -0.013381 -0.002404 -0.020099 0.015416 27O 1dyz 0.003024 -0.006471 0.004102 -0.007741 -0.002692 0.002987 27O 1dx2y2 0.004428 0.001706 -0.004100 -0.005461 -0.009086 -0.002019 27O 1dxy 0.002292 0.007146 -0.004914 -0.001276 0.011442 -0.005239 27O 2dz2 0.040721 -0.015236 0.019840 -0.062323 -0.101026 0.027152 27O 2dxz 0.044865 -0.201997 0.310842 0.083096 0.259436 -0.129413 27O 2dyz -0.004902 0.038348 -0.086814 -0.067229 -0.123787 0.069615 27O 2dx2y2 -0.118140 -0.075108 0.123584 0.015770 0.032439 -0.044822 27O 2dxy -0.003580 -0.090428 0.151214 -0.119518 -0.138594 0.000447 27O 1f0 -0.000231 0.007737 -0.008409 -0.010036 -0.019574 0.011875 27O 1f+1 -0.022442 -0.012532 0.024671 -0.005690 -0.010942 0.018664 27O 1f-1 0.004832 0.019044 -0.018797 0.006189 0.028767 -0.019834 27O 1f+2 -0.010462 -0.016149 0.013757 0.010328 0.029577 -0.012380 27O 1f-2 -0.018188 0.012464 -0.024860 -0.001220 -0.030249 0.011207 27O 1f+3 0.005679 0.032075 -0.044594 0.022567 0.041572 -0.021647 27O 1f-3 -0.003316 -0.008119 0.015058 -0.006516 -0.007795 0.018916 28O 1s -0.029774 0.003420 0.011707 -0.003119 0.000930 0.001255 28O 2s -0.103036 0.010148 0.040711 -0.010047 0.003162 0.005595 28O 3s 0.736696 -0.025493 -0.306628 0.054383 -0.022361 -0.068761 28O 4s -1.178445 -0.234155 0.596078 0.032054 0.048838 0.263687 28O 5s 4.516873 -0.240232 -2.198573 0.237522 -0.252696 -0.243220 28O 1pz 0.142552 0.124162 -0.123049 -0.130623 0.001682 -0.094761 28O 1px -0.047942 0.035075 0.049766 -0.066256 0.015402 -0.025813 28O 1py 0.084233 -0.116676 -0.045600 0.117450 0.004908 -0.002051 28O 2pz -0.687851 -0.208600 0.446816 0.338720 0.008408 0.209714 28O 2px 0.443594 -0.293322 -0.205225 0.312237 -0.063324 0.151069 28O 2py -0.310419 0.394063 0.154507 -0.422637 -0.013003 0.019288 28O 3pz 0.066241 0.176378 -0.446548 -0.059099 -0.012841 -0.233905 28O 3px 0.995379 -0.090549 -0.355488 -0.029379 0.009126 -0.070764 28O 3py 0.456679 -0.044747 -0.398902 0.217894 -0.083704 -0.146697 28O 1dz2 0.002703 -0.012656 -0.002113 0.012304 -0.002748 0.007705 28O 1dxz 0.005863 -0.004508 -0.003508 -0.000474 -0.000583 0.002813 28O 1dyz 0.007205 0.011212 -0.004227 -0.009827 -0.001055 -0.002328 28O 1dx2y2 -0.003615 0.004022 0.003204 -0.003826 0.000842 -0.003798 28O 1dxy 0.008541 -0.013704 0.000215 0.013326 0.000674 -0.005448 28O 2dz2 0.064076 0.214292 -0.078268 -0.303162 0.024245 -0.105364 28O 2dxz -0.111457 -0.031542 0.054637 0.054226 0.025927 -0.014472 28O 2dyz 0.120653 -0.162557 -0.044408 0.201647 0.002716 -0.060513 28O 2dx2y2 0.039711 -0.066296 0.007597 0.077118 -0.018012 0.067052 28O 2dxy -0.037776 0.210156 0.009164 -0.249607 -0.005048 -0.001749 28O 1f0 0.016666 0.033771 -0.002644 -0.040752 0.008119 -0.043042 28O 1f+1 0.006087 -0.023252 0.005521 0.024089 -0.003589 0.002320 28O 1f-1 0.002970 -0.014017 0.007651 0.013900 -0.000545 -0.002960 28O 1f+2 -0.026591 0.023913 0.003378 -0.015859 -0.002032 -0.002480 28O 1f-2 -0.007136 0.023318 -0.002871 -0.019824 -0.001297 0.002017 28O 1f+3 -0.019529 0.007308 0.004675 -0.006436 0.002456 -0.013961 28O 1f-3 -0.004681 0.005607 0.008195 -0.002892 -0.004489 0.015177 29O 1s 0.000329 -0.000049 0.009379 0.004099 0.005368 0.004992 29O 2s 0.001052 0.000407 0.034148 0.015644 0.022358 0.017707 29O 3s -0.004896 -0.016389 -0.296228 -0.149984 -0.251972 -0.143849 29O 4s -0.000919 0.019734 0.613874 0.322962 0.576646 0.290233 29O 5s -0.018284 0.203417 -0.638722 -0.219662 -0.146238 -0.411686 29O 1pz 0.010341 0.005881 -0.010151 0.007134 0.020717 -0.010289 29O 1px 0.010084 -0.003343 0.013940 -0.001653 -0.034352 0.012708 29O 1py 0.005628 0.016074 0.016164 0.017612 0.066269 0.002464 29O 2pz 0.009189 -0.036397 0.021701 -0.021094 -0.111336 0.021414 29O 2px -0.014896 0.027903 -0.018733 0.024542 0.130063 -0.040643 29O 2py -0.008233 -0.060191 -0.074369 -0.083058 -0.243266 -0.003386 29O 3pz 0.122100 0.015467 0.058876 -0.087271 -0.053414 -0.051823 29O 3px 0.044070 -0.064859 0.179800 0.007311 0.041910 0.087272 29O 3py 0.020339 -0.022429 0.175805 0.128764 0.042265 0.111260 29O 1dz2 -0.001137 -0.000708 0.002834 -0.007219 -0.005800 0.002159 29O 1dxz -0.000014 -0.001149 -0.009890 0.004002 -0.000529 0.002530 29O 1dyz -0.002592 -0.000556 0.001285 0.006337 -0.001135 0.000037 29O 1dx2y2 -0.000164 0.001150 -0.002692 0.002485 -0.005244 0.002246 29O 1dxy -0.001508 0.000804 -0.006776 -0.006744 0.005376 -0.001630 29O 2dz2 -0.018335 0.020147 0.037834 0.010957 0.069125 0.011477 29O 2dxz 0.007552 -0.000583 -0.005805 0.031671 0.039864 0.011150 29O 2dyz -0.030381 0.011595 -0.001663 0.024484 0.034482 -0.002526 29O 2dx2y2 0.002305 -0.001053 -0.007261 0.003963 -0.038403 0.009927 29O 2dxy -0.011376 -0.011289 -0.045139 -0.044296 -0.052307 -0.005248 29O 1f0 -0.000543 0.001380 0.010084 0.007128 0.011683 0.003316 29O 1f+1 -0.004599 0.000737 0.000806 -0.008040 -0.002578 -0.001282 29O 1f-1 0.001297 0.003542 0.010919 0.006292 0.015236 0.004382 29O 1f+2 0.003368 -0.000555 -0.010312 0.003024 -0.002012 0.000110 29O 1f-2 0.000635 -0.000449 0.008249 0.007155 0.003694 0.005418 29O 1f+3 -0.001585 -0.001497 0.001493 -0.002328 -0.001881 -0.004308 29O 1f-3 -0.000874 -0.000487 0.001214 0.004415 -0.013374 -0.003963 30O 1s 0.031451 0.004473 -0.001024 -0.013054 -0.004372 -0.005383 30O 2s 0.108216 0.013801 -0.001827 -0.045541 -0.013631 -0.018968 30O 3s -0.766628 -0.055291 -0.039628 0.353986 0.100336 0.130790 30O 4s 1.216305 -0.174003 0.360492 -0.682362 -0.119219 -0.168803 30O 5s -4.445678 -0.232370 0.079854 1.882628 0.100085 1.127402 30O 1pz -0.086818 -0.073892 0.095010 0.051747 -0.112788 0.072494 30O 1px 0.012289 -0.028406 0.005629 -0.045176 -0.073627 0.029245 30O 1py 0.099272 -0.132628 0.191209 -0.094428 0.135947 -0.095484 30O 2pz 0.497138 0.358606 -0.471481 -0.163311 0.368125 -0.329379 30O 2px -0.330922 -0.078253 0.150385 0.181645 0.280226 -0.007114 30O 2py -0.539674 0.255110 -0.444482 0.323516 -0.393510 0.319098 30O 3pz 0.123410 0.022343 0.180744 0.150186 -0.304780 0.243476 30O 3px -1.097678 -0.123077 -0.012754 0.324106 0.082831 0.292528 30O 3py 0.083606 -0.196456 0.116892 -0.363351 0.437797 -0.310677 30O 1dz2 0.007231 0.011999 -0.012285 0.005458 0.011283 -0.007012 30O 1dxz -0.008836 -0.010224 0.010946 0.000859 -0.002594 0.004841 30O 1dyz 0.002761 -0.006496 0.005476 -0.005158 -0.004418 -0.005218 30O 1dx2y2 0.002143 0.005923 -0.009295 -0.008985 -0.012257 0.006585 30O 1dxy 0.011320 -0.001591 0.005325 -0.003689 -0.002867 0.001935 30O 2dz2 0.001706 -0.182232 0.288106 -0.062600 -0.117537 0.107474 30O 2dxz 0.099260 0.140038 -0.210737 -0.010359 -0.008382 -0.053964 30O 2dyz 0.151945 0.042332 -0.054833 0.009673 0.192431 -0.150635 30O 2dx2y2 0.004774 -0.106129 0.173292 0.019113 0.275044 -0.102383 30O 2dxy -0.053760 0.113629 -0.178659 0.082321 0.118331 -0.045677 30O 1f0 -0.018723 -0.009233 0.016576 0.008013 0.019908 -0.012940 30O 1f+1 0.006283 0.008537 -0.006213 0.000470 0.015060 -0.020951 30O 1f-1 0.004179 0.034265 -0.042682 0.004026 0.000899 0.012131 30O 1f+2 0.021070 0.002742 -0.004694 0.006196 0.022820 -0.005180 30O 1f-2 0.013150 0.011875 -0.009913 -0.003838 -0.010372 -0.004993 30O 1f+3 0.000279 -0.022396 0.035457 -0.007285 0.012086 -0.008559 30O 1f-3 0.024865 0.001804 0.007642 0.018176 0.065293 -0.040263 31O 1s 0.031396 0.003821 0.001075 0.013135 -0.005157 0.005361 31O 2s 0.108068 0.011608 0.001981 0.045797 -0.016379 0.019150 31O 3s -0.766143 -0.040661 0.039206 -0.355558 0.118071 -0.134774 31O 4s 1.215742 -0.189895 -0.364002 0.682999 -0.137195 0.196039 31O 5s -4.449433 -0.159550 -0.081151 -1.873315 0.266645 -1.179004 31O 1pz 0.088702 0.071448 0.098685 0.052551 0.100101 0.089498 31O 1px -0.011594 0.029553 0.006457 -0.045264 0.068609 0.036563 31O 1py -0.101589 0.131094 0.192827 -0.090791 -0.122079 -0.114759 31O 2pz -0.501105 -0.344179 -0.484574 -0.167555 -0.310817 -0.382256 31O 2px 0.327925 0.065758 0.149873 0.183179 -0.279867 -0.041196 31O 2py 0.544776 -0.257598 -0.448388 0.313640 0.344113 0.372701 31O 3pz -0.119812 -0.027358 0.183989 0.153617 0.265401 0.293667 31O 3px 1.099144 0.109175 -0.013139 0.321368 -0.124193 0.291783 31O 3py -0.089128 0.201703 0.113173 -0.360783 -0.382592 -0.382812 31O 1dz2 0.007246 0.011966 0.012747 -0.005239 0.009855 0.008425 31O 1dxz -0.008692 -0.009876 -0.011247 -0.001087 -0.001726 -0.005368 31O 1dyz 0.002924 -0.006535 -0.005614 0.005072 -0.005004 0.004962 31O 1dx2y2 0.002078 0.005463 0.009455 0.009133 -0.011272 -0.008270 31O 1dxy 0.011164 -0.001799 -0.005473 0.003616 -0.002722 -0.002315 31O 2dz2 0.001031 -0.179792 -0.294534 0.058665 -0.100133 -0.122272 31O 2dxz 0.098554 0.135050 0.215114 0.013023 -0.018393 0.052164 31O 2dyz 0.152505 0.041445 0.056555 -0.009311 0.167442 0.176227 31O 2dx2y2 0.006456 -0.101073 -0.174381 -0.022448 0.257438 0.137148 31O 2dxy -0.052789 0.113735 0.183084 -0.079466 0.108957 0.063033 31O 1f0 0.018683 0.008788 0.016845 0.008043 -0.017916 -0.015532 31O 1f+1 -0.006338 -0.008688 -0.007016 0.000380 -0.011835 -0.022919 31O 1f-1 -0.004345 -0.033850 -0.043693 0.003474 -0.002190 0.012133 31O 1f+2 -0.020858 -0.002514 -0.004422 0.006175 -0.021644 -0.007954 31O 1f-2 -0.013313 -0.011419 -0.010070 -0.003863 0.011074 -0.003492 31O 1f+3 -0.000452 0.021776 0.035846 -0.006797 -0.011125 -0.010606 31O 1f-3 -0.024952 -0.002243 0.007433 0.018279 -0.058432 -0.048688 32O 1s 0.000164 0.000286 -0.009534 -0.003856 0.005987 -0.005147 32O 2s 0.000339 0.001610 -0.034703 -0.014731 0.024523 -0.018237 32O 3s 0.003599 -0.026470 0.300849 0.141519 -0.269055 0.148316 32O 4s -0.020583 0.039496 -0.622097 -0.305643 0.610940 -0.294780 32O 5s -0.019685 0.184917 0.644169 0.208638 -0.199276 0.390966 32O 1pz -0.009541 -0.005211 -0.010214 0.006004 -0.016263 -0.010641 32O 1px -0.011064 0.001536 0.013686 -0.001195 0.032517 0.013151 32O 1py -0.005039 -0.016796 0.016659 0.016373 -0.066027 0.000489 32O 2pz -0.012278 0.035691 0.021709 -0.015621 0.095917 0.024154 32O 2px 0.020163 -0.024429 -0.018057 0.023638 -0.126266 -0.038196 32O 2py 0.001569 0.063260 -0.075410 -0.079112 0.243291 -0.002323 32O 3pz -0.121451 -0.012834 0.058822 -0.086556 0.062336 -0.047064 32O 3px -0.040974 0.060209 0.178849 0.005961 -0.054934 0.077156 32O 3py -0.025775 0.015692 0.178405 0.125666 -0.055285 0.105117 32O 1dz2 -0.000902 -0.000868 -0.002874 0.007262 -0.005550 -0.002003 32O 1dxz 0.000094 -0.001220 0.009914 -0.004002 -0.000211 -0.002275 32O 1dyz -0.002606 -0.000479 -0.001021 -0.006210 -0.001189 -0.000432 32O 1dx2y2 0.000030 0.001273 0.002605 -0.002492 -0.004916 -0.002817 32O 1dxy -0.001514 0.000515 0.006871 0.006872 0.005021 0.002264 32O 2dz2 -0.019881 0.020583 -0.038779 -0.008758 0.067311 -0.010805 32O 2dxz 0.006089 -0.000776 0.005699 -0.031713 0.043084 -0.012121 32O 2dyz -0.031377 0.013597 0.000400 -0.023795 0.034300 0.002404 32O 2dx2y2 0.004043 -0.000893 0.006645 -0.004494 -0.036480 -0.013038 32O 2dxy -0.008213 -0.012241 0.045130 0.043325 -0.053231 0.008398 32O 1f0 0.000979 -0.001556 0.009662 0.006344 -0.010931 0.003116 32O 1f+1 0.004386 -0.000600 0.000389 -0.008242 0.003408 -0.001826 32O 1f-1 -0.000976 -0.003898 0.011462 0.006242 -0.015902 0.004307 32O 1f+2 -0.003403 0.000803 -0.011011 0.002893 0.002877 -0.000635 32O 1f-2 -0.000338 0.000265 0.007930 0.006893 -0.004579 0.006117 32O 1f+3 0.001493 0.001633 0.001558 -0.002082 0.002091 -0.004568 32O 1f-3 0.000902 0.000318 0.001290 0.004779 0.013720 -0.002648 33O 1s -0.029676 0.003395 -0.011739 0.003133 0.001205 -0.001665 33O 2s -0.102714 0.010229 -0.040816 0.010127 0.004280 -0.006914 33O 3s 0.734384 -0.030545 0.307399 -0.055683 -0.034868 0.078519 33O 4s -1.173134 -0.201019 -0.597059 -0.026147 0.092219 -0.272333 33O 5s 4.511636 -0.266937 2.196842 -0.250683 -0.288689 0.238503 33O 1pz -0.142758 -0.112846 -0.123913 -0.130745 0.010204 -0.083773 33O 1px 0.047526 -0.034906 0.049050 -0.067663 -0.012327 -0.025067 33O 1py -0.084924 0.118158 -0.043432 0.122944 -0.005778 0.007812 33O 2pz 0.687715 0.188837 0.449115 0.342372 -0.033072 0.179174 33O 2px -0.442327 0.277041 -0.202954 0.314777 0.042304 0.145999 33O 2py 0.312386 -0.394584 0.147869 -0.439491 0.015610 -0.014041 33O 3pz -0.066236 -0.163511 -0.444181 -0.057464 0.040683 -0.199194 33O 3px -0.995437 0.094740 -0.356712 -0.027973 0.003536 -0.084678 33O 3py -0.454577 0.047801 -0.394842 0.221242 0.101125 -0.120473 33O 1dz2 0.002652 -0.012466 0.001897 -0.012804 -0.001731 -0.007758 33O 1dxz 0.005778 -0.004051 0.003547 0.000734 -0.000241 -0.002719 33O 1dyz 0.007258 0.010898 0.004290 0.010210 -0.001345 0.002596 33O 1dx2y2 -0.003513 0.003718 -0.003172 0.003767 0.000323 0.003289 33O 1dxy 0.008443 -0.013369 -0.000411 -0.013785 0.000140 0.004366 33O 2dz2 0.064017 0.203695 0.081081 0.308448 0.010622 0.094319 33O 2dxz -0.110713 -0.031009 -0.055470 -0.057105 0.024442 0.013307 33O 2dyz 0.121304 -0.159132 0.041152 -0.206800 -0.001525 0.041585 33O 2dx2y2 0.038781 -0.060867 -0.007784 -0.077376 -0.009924 -0.059147 33O 2dxy -0.038605 0.206920 -0.005870 0.258300 -0.008648 0.014384 33O 1f0 -0.016519 -0.032958 -0.003252 -0.041700 -0.003387 -0.040316 33O 1f+1 -0.005974 0.022001 0.005730 0.024603 0.003087 0.002507 33O 1f-1 -0.002862 0.012675 0.007738 0.013477 0.000681 -0.001447 33O 1f+2 0.026860 -0.022987 0.003004 -0.016312 0.002432 -0.003101 33O 1f-2 0.007086 -0.023353 -0.003362 -0.021011 0.001418 -0.000557 33O 1f+3 0.019501 -0.007189 0.004754 -0.006776 -0.000798 -0.014138 33O 1f-3 0.004642 -0.006305 0.008114 -0.003856 0.002830 0.014574 34O 1s 0.028397 -0.003899 0.001006 0.012386 -0.008414 0.000032 34O 2s 0.098526 -0.012913 0.004608 0.042751 -0.027130 0.001229 34O 3s -0.752708 0.071676 -0.079250 -0.302372 0.143641 -0.047384 34O 4s 1.467266 0.034347 0.436300 0.527496 -0.188349 0.184489 34O 5s -4.055760 0.326926 -0.031019 -2.171865 1.134105 -0.104811 34O 1pz 0.011234 0.107433 0.162149 0.056454 -0.093224 -0.014304 34O 1px 0.095108 0.032044 0.055390 0.085551 -0.015063 0.017796 34O 1py -0.029805 0.050078 0.066020 -0.109504 0.061557 -0.007298 34O 2pz -0.036944 -0.323950 -0.533446 -0.181624 0.350036 0.110798 34O 2px -0.427218 0.062492 0.044834 -0.446361 0.320204 0.091518 34O 2py 0.140904 -0.185101 -0.252212 0.373289 -0.282267 -0.000693 34O 3pz 0.372334 0.034846 0.171194 0.462038 -0.177934 -0.019981 34O 3px -0.837856 0.001414 -0.057258 -0.042082 0.224800 0.046530 34O 3py -0.312642 0.160063 0.187618 -0.632160 0.171124 0.003385 34O 1dz2 -0.001071 0.003479 0.002353 -0.002756 0.008923 0.004898 34O 1dxz -0.003155 0.010701 0.013632 0.002532 -0.017647 -0.018033 34O 1dyz 0.003041 -0.006541 -0.004258 0.007644 -0.002214 -0.003121 34O 1dx2y2 0.004339 0.001598 0.004248 0.005519 -0.009216 0.000982 34O 1dxy 0.002516 0.007077 0.005084 0.001370 0.010569 0.006688 34O 2dz2 0.040425 -0.016425 -0.020160 0.061833 -0.094617 -0.038654 34O 2dxz 0.043248 -0.194430 -0.315036 -0.087150 0.237403 0.162155 34O 2dyz -0.004298 0.035342 0.087945 0.068396 -0.112225 -0.084371 34O 2dx2y2 -0.116899 -0.073073 -0.124714 -0.017666 0.027255 0.047170 34O 2dxy -0.003749 -0.091511 -0.153083 0.117709 -0.135493 -0.017316 34O 1f0 0.000167 -0.007636 -0.008808 -0.009926 0.017466 0.014466 34O 1f+1 0.022162 0.012163 0.025278 -0.005427 0.008167 0.020274 34O 1f-1 -0.005105 -0.019093 -0.019685 0.005896 -0.025538 -0.023618 34O 1f+2 0.010726 0.015737 0.014308 0.010426 -0.027509 -0.016358 34O 1f-2 0.018273 -0.012194 -0.025345 -0.001687 0.028166 0.015134 34O 1f+3 -0.005589 -0.031677 -0.045390 0.021816 -0.037436 -0.027037 34O 1f-3 0.003017 0.007721 0.015352 -0.006236 0.004999 0.019969 35O 1s -0.027560 -0.001428 -0.015699 -0.001464 0.006308 0.004098 35O 2s -0.095718 -0.004569 -0.055389 -0.004510 0.022798 0.013777 35O 3s 0.727220 0.017588 0.429059 0.018764 -0.198800 -0.098361 35O 4s -1.370614 0.065087 -0.815294 0.088610 0.478221 0.214306 35O 5s 4.077228 0.084603 2.274804 0.045176 -0.659967 -0.419633 35O 1pz -0.041656 -0.044232 -0.133748 -0.063142 0.005912 -0.006521 35O 1px -0.079004 -0.035987 -0.089098 -0.038576 0.018940 -0.020764 35O 1py -0.065489 0.123960 -0.105433 0.158836 0.021354 0.062381 35O 2pz 0.155765 0.150349 0.381151 0.197094 -0.012553 0.030352 35O 2px 0.395914 0.199108 0.362239 0.204086 -0.008270 0.056853 35O 2py 0.271310 -0.327622 0.338534 -0.466788 -0.051151 -0.254123 35O 3pz -0.473354 -0.119618 -0.730460 -0.112947 0.182908 0.030289 35O 3px 0.884050 -0.087696 0.061229 -0.042890 -0.007276 -0.223528 35O 3py 0.048484 0.026816 -0.403475 0.139578 0.058260 0.101289 35O 1dz2 0.005158 -0.001795 0.005087 -0.005942 0.001808 0.002325 35O 1dxz 0.002680 -0.010160 0.005787 -0.007605 0.000537 0.003659 35O 1dyz 0.004572 0.001612 0.009524 0.000903 -0.001800 -0.002761 35O 1dx2y2 -0.002425 -0.012637 -0.004200 -0.010118 -0.001251 -0.009058 35O 1dxy 0.000855 0.007348 0.003450 0.006784 -0.000733 0.010974 35O 2dz2 -0.065540 0.052755 -0.002989 0.062943 -0.014788 0.048122 35O 2dxz -0.032672 0.108878 0.061057 0.148111 0.021165 0.068223 35O 2dyz -0.007678 0.024086 0.049320 0.013031 -0.008977 -0.044555 35O 2dx2y2 0.073313 0.180270 0.024467 0.231700 0.016856 0.144049 35O 2dxy 0.068041 -0.150106 0.056916 -0.209202 -0.008378 -0.155964 35O 1f0 0.000511 -0.012838 0.000331 -0.016486 -0.002716 0.009221 35O 1f+1 0.006128 -0.027996 -0.006026 -0.037680 0.003629 0.009124 35O 1f-1 0.010259 -0.020932 -0.005129 -0.025948 -0.000097 -0.003689 35O 1f+2 -0.010595 -0.027436 -0.006233 -0.036066 0.000444 -0.004332 35O 1f-2 0.015774 -0.006496 0.002146 0.008438 0.000858 0.004396 35O 1f+3 -0.008464 0.029573 -0.004331 0.024922 0.002165 0.021360 35O 1f-3 -0.019590 0.004773 -0.001435 0.015392 -0.001809 -0.007400 552 553 554 555 556 557 3.67861 3.69355 3.70066 3.71202 3.72746 3.74228 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s -0.005106 0.003282 -0.001767 0.000447 0.000666 0.000795 0Rh 2s 0.044878 -0.028250 0.010860 -0.002135 -0.005497 -0.006621 0Rh 3s -0.003349 0.002515 -0.003974 0.001375 0.000656 0.000748 0Rh 4s -0.245685 0.154771 -0.059886 0.011988 0.030219 0.036382 0Rh 5s 0.542311 -0.339366 0.114810 -0.021458 -0.065379 -0.078997 0Rh 6s -0.475207 0.284419 -0.023179 -0.003342 0.049083 0.060930 0Rh 7s 0.337661 0.055696 -0.450495 -0.106428 0.100679 0.071286 0Rh 8s 0.198884 -0.211002 0.200797 -0.508246 -0.130004 -0.064527 0Rh 1pz -0.003208 -0.003140 -0.003637 0.001854 -0.003352 -0.003153 0Rh 1px 0.003163 0.000096 0.007390 -0.001992 0.000223 -0.000781 0Rh 1py -0.000379 -0.002741 0.002922 0.001929 -0.003048 0.004250 0Rh 2pz 0.012036 0.011436 0.014341 -0.007374 0.012772 0.011965 0Rh 2px -0.012550 -0.000166 -0.029095 0.008149 -0.000732 0.003075 0Rh 2py 0.001337 0.010420 -0.011453 -0.007420 0.011631 -0.016374 0Rh 3pz -0.018320 -0.009441 -0.036040 0.020572 -0.023041 -0.020801 0Rh 3px 0.033773 -0.004560 0.072396 -0.027591 -0.001242 -0.007806 0Rh 3py -0.000468 -0.018275 0.027705 0.015565 -0.021837 0.033229 0Rh 4pz -0.021468 -0.057366 0.031557 -0.029513 -0.010835 -0.010262 0Rh 4px -0.040457 0.025314 -0.062665 0.055878 0.011969 0.008955 0Rh 4py -0.007966 -0.010369 -0.022464 -0.007383 -0.001841 -0.001815 0Rh 5pz 0.062093 0.131969 -0.018617 0.051539 0.063570 0.030286 0Rh 5px 0.048535 -0.073318 0.047246 -0.123067 -0.025644 -0.021235 0Rh 5py 0.022128 0.040285 0.010426 -0.002436 0.009022 -0.050574 0Rh 6pz 0.214288 0.536931 0.046338 -0.282933 -0.119231 0.612683 0Rh 6px 0.016572 0.419284 -0.638527 1.255192 0.003425 0.309474 0Rh 6py -0.447836 0.526662 0.133452 0.507110 0.646174 0.092583 0Rh 1dz2 -0.012729 -0.029334 0.027934 -0.019947 -0.057583 -0.060189 0Rh 1dxz 0.049693 0.066949 -0.020094 -0.008642 -0.038983 0.078742 0Rh 1dyz 0.013187 -0.008610 -0.017906 0.010900 0.006832 0.012931 0Rh 1dx2y2 0.010074 0.038081 0.041164 -0.016553 -0.081701 0.016684 0Rh 1dxy -0.020957 0.036434 0.001047 0.026082 0.079678 0.020472 0Rh 2dz2 -0.002545 -0.003500 0.005593 -0.001261 -0.009292 -0.009434 0Rh 2dxz 0.005338 0.010623 -0.000579 0.000649 -0.007041 0.012329 0Rh 2dyz 0.001258 -0.002303 -0.002320 0.002906 -0.000132 0.001534 0Rh 2dx2y2 0.003480 0.004365 0.003657 -0.005747 -0.013628 0.002332 0Rh 2dxy -0.003684 0.003560 -0.001182 0.002689 0.011898 0.003934 0Rh 3dz2 0.057062 0.120595 -0.125621 0.076896 0.249471 0.259962 0Rh 3dxz -0.201182 -0.287855 0.074197 0.027864 0.172406 -0.340333 0Rh 3dyz -0.052736 0.041302 0.074448 -0.052705 -0.023564 -0.053702 0Rh 3dx2y2 -0.052313 -0.155574 -0.163739 0.085946 0.356315 -0.070742 0Rh 3dxy 0.091424 -0.146332 0.001701 -0.105715 -0.341334 -0.091667 0Rh 4dz2 -0.079480 -0.144379 0.172464 -0.077926 -0.323518 -0.339100 0Rh 4dxz 0.233019 0.372231 -0.068874 -0.016498 -0.229785 0.446111 0Rh 4dyz 0.060946 -0.057659 -0.089305 0.083652 0.016760 0.067594 0Rh 4dx2y2 0.087978 0.182317 0.181438 -0.140508 -0.469191 0.090720 0Rh 4dxy -0.117407 0.169663 -0.015727 0.122823 0.440907 0.125294 0Rh 5dz2 0.094052 0.049474 -0.173871 -0.054828 0.207804 0.247835 0Rh 5dxz -0.068200 -0.300142 -0.096204 -0.056173 0.172469 -0.345354 0Rh 5dyz -0.043390 -0.022320 0.024586 -0.173052 0.035273 -0.055575 0Rh 5dx2y2 -0.173815 -0.065186 0.034959 0.194538 0.345148 -0.070416 0Rh 5dxy 0.061593 -0.088721 0.093870 -0.042963 -0.324944 -0.116587 0Rh 1f0 -0.016796 -0.003345 0.000485 0.011865 0.012068 -0.013052 0Rh 1f+1 0.005366 -0.011563 -0.000664 -0.008176 0.019790 -0.020451 0Rh 1f-1 0.006699 0.011519 0.001970 -0.002733 0.012168 0.011362 0Rh 1f+2 0.004793 -0.012780 0.006628 -0.019589 0.006287 0.007661 0Rh 1f-2 0.013920 0.009054 0.002392 -0.002835 -0.009188 -0.000011 0Rh 1f+3 0.013237 -0.003453 -0.006649 -0.017407 0.005515 0.007165 0Rh 1f-3 0.017289 -0.005193 0.003136 -0.001436 -0.016583 -0.016565 1Rh 1s -0.005032 0.003564 0.001305 -0.000523 0.000625 0.000744 1Rh 2s 0.044544 -0.029803 -0.007067 0.002784 -0.005245 -0.006236 1Rh 3s -0.003107 0.003260 0.003512 -0.001437 0.000562 0.000673 1Rh 4s -0.243836 0.163350 0.039087 -0.015546 0.028826 0.034262 1Rh 5s 0.539384 -0.354847 -0.069927 0.029244 -0.062688 -0.074562 1Rh 6s -0.477570 0.282806 -0.010975 -0.003069 0.048443 0.058201 1Rh 7s 0.364255 0.141483 0.403200 0.105126 0.100033 0.068888 1Rh 8s 0.187510 -0.242212 -0.163561 0.512043 -0.109869 -0.056335 1Rh 1pz 0.003060 0.002252 -0.004447 0.001768 0.003678 0.003255 1Rh 1px -0.002757 0.001259 0.007458 -0.001942 -0.000373 0.000702 1Rh 1py 0.000670 0.003504 0.002401 0.001814 0.003147 -0.004434 1Rh 2pz -0.011461 -0.007964 0.017316 -0.007059 -0.014040 -0.012364 1Rh 2px 0.010956 -0.005164 -0.029315 0.007960 0.001342 -0.002757 1Rh 2py -0.002469 -0.013401 -0.009464 -0.006975 -0.012013 0.017082 1Rh 3pz 0.017032 0.001271 -0.039060 0.020229 0.025920 0.021745 1Rh 3px -0.029889 0.017721 0.071793 -0.027276 -0.000718 0.006852 1Rh 3py 0.003006 0.025335 0.024024 0.014691 0.022651 -0.034635 1Rh 4pz 0.022104 0.062876 0.019188 -0.030807 0.009066 0.009613 1Rh 4px 0.037326 -0.036266 -0.057339 0.056163 -0.008564 -0.007556 1Rh 4py 0.006624 0.005104 -0.023532 -0.007296 0.001586 0.001851 1Rh 5pz -0.062121 -0.133068 0.010828 0.055072 -0.063169 -0.030100 1Rh 5px -0.046040 0.081028 0.030779 -0.124434 0.019399 0.019069 1Rh 5py -0.022977 -0.038931 0.016747 -0.002046 -0.009671 0.052552 1Rh 6pz -0.193093 -0.526908 0.166229 -0.270795 0.120155 -0.615890 1Rh 6px -0.061191 -0.551613 -0.521928 1.264890 0.057186 -0.287528 1Rh 6py 0.471114 -0.467116 0.197869 0.517340 -0.623536 -0.098391 1Rh 1dz2 -0.007809 -0.028573 -0.021007 0.020009 -0.058504 -0.061344 1Rh 1dxz 0.053185 0.072112 0.003188 0.009188 -0.043345 0.077290 1Rh 1dyz 0.011997 -0.007473 0.018410 -0.010014 0.010499 0.013309 1Rh 1dx2y2 0.012793 0.033954 -0.049254 0.017736 -0.083830 0.014870 1Rh 1dxy -0.021283 0.034752 -0.006184 -0.028241 0.078980 0.023008 1Rh 2dz2 -0.001854 -0.003647 -0.004669 0.001278 -0.009474 -0.009595 1Rh 2dxz 0.005731 0.010911 -0.001924 -0.000531 -0.007728 0.012129 1Rh 2dyz 0.001048 -0.002247 0.002628 -0.002701 0.000564 0.001653 1Rh 2dx2y2 0.004073 0.004292 -0.004739 0.005961 -0.013843 0.002054 1Rh 2dxy -0.003594 0.003640 0.000724 -0.002973 0.011916 0.004305 1Rh 3dz2 0.036383 0.118578 0.096652 -0.077195 0.253601 0.264851 1Rh 3dxz -0.215401 -0.307550 -0.002264 -0.030356 0.191232 -0.334183 1Rh 3dyz -0.047556 0.037026 -0.077666 0.048586 -0.040021 -0.055633 1Rh 3dx2y2 -0.064728 -0.140552 0.197583 -0.091178 0.364921 -0.062939 1Rh 3dxy 0.092145 -0.140709 0.018745 0.114771 -0.338961 -0.102519 1Rh 4dz2 -0.053971 -0.144389 -0.136612 0.078306 -0.328754 -0.345148 1Rh 4dxz 0.249414 0.391938 -0.022608 0.019911 -0.254092 0.438368 1Rh 4dyz 0.054610 -0.053585 0.094753 -0.077893 0.040508 0.071019 1Rh 4dx2y2 0.105396 0.168803 -0.223064 0.147550 -0.478898 0.080729 1Rh 4dxy -0.116642 0.165992 -0.007812 -0.134181 0.439704 0.139299 1Rh 5dz2 0.079667 0.062310 0.154827 0.055964 0.204527 0.248987 1Rh 5dxz -0.069342 -0.282488 0.161004 0.053737 0.187414 -0.341623 1Rh 5dyz -0.045546 -0.017177 -0.017819 0.171105 -0.005980 -0.065463 1Rh 5dx2y2 -0.194388 -0.085989 -0.009653 -0.200108 0.344154 -0.064575 1Rh 5dxy 0.049122 -0.106968 -0.079212 0.051391 -0.338463 -0.126862 1Rh 1f0 0.016542 0.003304 -0.001180 0.012236 -0.011640 0.013228 1Rh 1f+1 -0.005353 0.010703 -0.002914 -0.007595 -0.018966 0.020656 1Rh 1f-1 -0.006500 -0.010910 0.004425 -0.002400 -0.012074 -0.011151 1Rh 1f+2 -0.004792 0.013898 0.004471 -0.019778 -0.007112 -0.007694 1Rh 1f-2 -0.012693 -0.007490 0.004290 -0.003088 0.009283 -0.000069 1Rh 1f+3 -0.013173 0.002167 -0.006429 -0.017051 -0.006272 -0.007184 1Rh 1f-3 -0.016647 0.006431 0.002705 -0.001839 0.016370 0.016045 2C 1s 0.001156 -0.001924 0.000810 0.000729 -0.002323 -0.001366 2C 2s 0.001974 -0.006685 0.001308 0.001942 -0.006557 -0.003588 2C 3s -0.025688 0.124069 0.011688 0.008158 0.044240 0.018186 2C 4s 0.024899 -0.536647 -0.110159 -0.178700 -0.162573 0.004694 2C 5s -0.036144 0.302770 0.292440 -0.207775 -0.040457 -0.150010 2C 1pz -0.022244 0.053360 0.004389 -0.008073 -0.006209 0.000474 2C 1px -0.044393 -0.048869 -0.045564 -0.007753 -0.028118 0.006866 2C 1py -0.060872 -0.044783 -0.055006 0.011385 0.035273 0.031481 2C 2pz 0.083028 -0.135626 0.275460 -0.074130 -0.571024 -0.338345 2C 2px 0.192207 0.164745 -0.052741 -0.051429 0.322159 0.228055 2C 2py -0.087425 -0.445837 -0.330765 0.024984 0.300263 0.280455 2C 3pz 0.009890 0.036951 0.014457 -0.086104 0.082969 0.013043 2C 3px 0.026540 0.033158 0.083691 0.037110 0.003361 -0.033669 2C 3py 0.049893 0.127769 0.096004 -0.036829 -0.112716 -0.059950 2C 1dz2 -0.045869 -0.026892 -0.056102 0.036533 0.120487 0.087847 2C 1dxz -0.174107 -0.258470 -0.144606 0.045819 -0.017963 -0.002359 2C 1dyz -0.054230 0.020654 -0.032279 -0.028352 0.010276 0.032953 2C 1dx2y2 -0.041081 -0.109689 -0.141769 -0.003014 0.180421 0.143908 2C 1dxy 0.004463 0.070277 0.094022 -0.045108 -0.274698 -0.157525 2C 2dz2 0.026084 -0.088957 0.122054 -0.032415 -0.292065 -0.195843 2C 2dxz 0.378181 0.483767 0.280518 -0.020125 0.273501 0.086837 2C 2dyz 0.047935 -0.197242 -0.050672 0.023139 -0.049003 -0.005054 2C 2dx2y2 -0.084955 -0.066747 -0.056301 0.021688 -0.074500 -0.030826 2C 2dxy 0.196435 0.227125 0.138784 0.011482 0.229535 0.064858 2C 1f0 -0.105014 -0.142498 -0.053920 0.006324 -0.190803 -0.079092 2C 1f+1 0.053409 0.014686 0.012743 0.049881 0.186152 0.086173 2C 1f-1 0.039971 -0.056714 -0.044123 0.008348 0.031469 0.023603 2C 1f+2 0.011959 0.044015 -0.057200 0.004768 0.046576 0.060700 2C 1f-2 0.179701 0.304340 0.190336 -0.033385 0.038707 -0.023383 2C 1f+3 0.198533 0.232131 0.251340 -0.023299 -0.048378 -0.099287 2C 1f-3 -0.030499 -0.045426 -0.015472 -0.009450 -0.164799 -0.075985 3C 1s 0.001041 -0.001578 0.000363 -0.000759 0.001820 -0.000036 3C 2s 0.002481 -0.004913 -0.000157 -0.001669 0.004095 -0.000878 3C 3s -0.036290 0.112206 0.045955 -0.024662 0.037775 0.038496 3C 4s 0.121381 -0.445134 -0.246032 0.221559 -0.231027 -0.242480 3C 5s 0.023939 0.681654 0.651373 -0.057050 0.276707 0.351021 3C 1pz -0.016760 0.022772 -0.022549 -0.000461 -0.016102 0.027812 3C 1px -0.033350 0.016171 -0.063360 0.026597 -0.014669 -0.010084 3C 1py 0.019655 -0.051179 -0.010247 0.004994 -0.022985 0.016019 3C 2pz -0.016557 -0.200718 -0.153113 -0.028565 -0.092092 0.028333 3C 2px -0.036012 -0.218607 -0.194180 0.030226 -0.393132 0.787364 3C 2py -0.098501 0.299661 -0.059945 -0.074623 -0.180271 0.532692 3C 3pz -0.009670 0.040315 0.099105 0.018242 0.104026 0.020872 3C 3px 0.023244 0.055978 0.185748 -0.018729 0.095641 -0.043578 3C 3py -0.023125 -0.132194 -0.102630 -0.011226 0.019194 -0.117764 3C 1dz2 0.014698 -0.003409 0.006001 -0.011130 -0.059810 0.076797 3C 1dxz 0.034224 0.048923 0.090142 -0.017257 0.191012 -0.356284 3C 1dyz 0.022336 -0.039714 -0.051094 0.004500 -0.024088 -0.027051 3C 1dx2y2 0.047848 -0.002380 0.077221 0.011258 0.109481 -0.201258 3C 1dxy 0.052017 -0.018400 0.138559 -0.025635 0.007823 0.071189 3C 2dz2 -0.061941 0.027932 -0.085576 -0.003123 0.029681 -0.004678 3C 2dxz 0.059789 -0.070804 0.187682 -0.085663 -0.078483 0.304168 3C 2dyz -0.006037 0.184957 0.145702 -0.043492 -0.018442 0.189529 3C 2dx2y2 -0.055138 0.081798 -0.046780 -0.036289 -0.116879 0.319806 3C 2dxy -0.086489 0.135884 -0.191528 0.068933 0.116960 -0.398591 3C 1f0 -0.073516 0.041337 -0.133495 0.013006 -0.071117 0.116958 3C 1f+1 0.003461 0.012497 -0.012802 -0.013311 0.102143 -0.193770 3C 1f-1 0.000752 0.026809 0.049712 -0.022041 0.037898 0.004774 3C 1f+2 0.035590 0.031403 0.140325 -0.067114 0.037593 0.050099 3C 1f-2 -0.058454 -0.007302 -0.171812 0.047687 0.012180 0.006476 3C 1f+3 0.021527 -0.069303 0.046945 -0.056135 -0.079635 0.273232 3C 1f-3 0.027247 0.030173 0.124159 -0.051651 -0.035250 0.144971 4C 1s 0.003324 0.003885 0.004779 0.003216 0.000920 -0.002294 4C 2s 0.011664 0.010000 0.013643 0.007706 0.002422 -0.006474 4C 3s -0.067296 0.044158 -0.072444 -0.003496 0.049822 0.057743 4C 4s -0.256888 -0.756526 -0.232045 -0.220134 -0.302929 -0.080335 4C 5s -0.446754 -0.850741 -0.176311 0.171695 -0.286791 -0.095429 4C 1pz 0.067931 0.062076 0.052359 -0.012237 -0.017089 -0.040134 4C 1px 0.058366 0.063153 0.045128 0.043087 0.050662 0.040629 4C 1py 0.056451 0.033348 0.040956 0.021292 0.064426 0.015263 4C 2pz 0.048551 -0.413256 0.073604 -0.077722 -0.013747 0.017277 4C 2px -0.508062 -0.973732 -0.825822 -0.198500 -0.406148 0.066007 4C 2py -0.111482 -0.421238 -0.205057 -0.185994 -0.510190 -0.114798 4C 3pz -0.198554 -0.245421 0.082918 -0.220424 -0.254004 -0.126458 4C 3px -0.032215 0.116773 -0.021369 -0.103367 -0.038195 -0.028094 4C 3py -0.127909 -0.139666 0.065681 -0.200290 -0.035434 -0.082128 4C 1dz2 -0.029280 -0.034833 -0.072134 -0.007885 -0.028353 0.009545 4C 1dxz 0.012585 0.072556 0.046288 0.011225 -0.000703 0.007170 4C 1dyz -0.022166 -0.072517 -0.031458 -0.009384 -0.017629 -0.000215 4C 1dx2y2 -0.002724 -0.064680 -0.060644 -0.028426 -0.043020 0.006803 4C 1dxy 0.001417 -0.036246 -0.004581 -0.022108 0.007822 0.023812 4C 2dz2 -0.112336 0.003326 0.189417 0.076874 -0.115932 -0.192575 4C 2dxz 0.299653 0.360861 -0.081524 0.066573 0.512144 0.282940 4C 2dyz -0.050709 0.025605 -0.121223 0.016664 0.094260 0.090792 4C 2dx2y2 -0.012253 -0.158184 0.054932 -0.050974 -0.021394 0.028292 4C 2dxy 0.271103 0.342860 0.110069 -0.033013 0.126918 0.019894 4C 1f0 -0.007580 0.038508 0.050100 -0.027833 -0.113885 -0.094784 4C 1f+1 0.055201 0.111629 -0.025554 0.057713 0.131623 0.083337 4C 1f-1 -0.084644 -0.089092 -0.089845 0.000325 0.103297 0.087933 4C 1f+2 0.067722 0.022505 0.083366 0.006252 0.159587 0.058139 4C 1f-2 0.089453 0.109418 0.133893 0.014947 0.039989 -0.045921 4C 1f+3 0.185259 0.363438 0.279635 -0.030217 -0.160615 -0.161987 4C 1f-3 0.124919 0.195925 0.246727 0.060772 0.192869 -0.026842 5C 1s 0.000247 -0.001226 0.003576 -0.003792 -0.000226 0.001758 5C 2s 0.003037 -0.004108 0.010801 -0.009548 -0.000405 0.004983 5C 3s -0.088351 -0.026876 -0.090948 0.041052 -0.056674 -0.035754 5C 4s 0.283102 0.406808 -0.023115 0.136674 0.211674 0.010827 5C 5s 0.105440 0.389279 -0.592707 -0.030914 0.228359 -0.024804 5C 1pz 0.018370 -0.017536 0.020948 -0.007368 -0.008411 0.013550 5C 1px 0.011908 0.018094 0.059965 0.015649 -0.053082 0.089014 5C 1py -0.029580 0.023496 -0.058843 0.016441 -0.026837 -0.001116 5C 2pz 0.103702 -0.155968 0.173223 0.054638 0.158293 -0.105857 5C 2px -0.074357 -0.208469 -0.924435 0.134853 -0.023198 -0.581915 5C 2py -0.135291 0.298068 0.081865 -0.158243 0.119946 0.050539 5C 3pz 0.094653 0.539885 0.163687 0.011511 0.127026 0.145204 5C 3px 0.152237 0.265850 0.082330 0.002921 0.115652 0.137209 5C 3py -0.130679 -0.803544 -0.313520 -0.083337 -0.419662 -0.274340 5C 1dz2 -0.009513 0.034932 0.024622 0.004545 -0.010407 -0.017651 5C 1dxz -0.000793 0.027782 0.020227 -0.016741 -0.025143 0.022203 5C 1dyz -0.012617 0.036625 0.070024 -0.062815 0.029453 0.051210 5C 1dx2y2 0.033786 -0.010164 0.016741 0.020643 -0.031353 -0.017996 5C 1dxy -0.003773 -0.017150 -0.042141 0.033792 0.000154 0.011091 5C 2dz2 -0.085431 -0.082748 -0.127792 -0.041404 -0.008751 -0.029365 5C 2dxz -0.004185 0.021375 0.096378 -0.115558 0.001086 0.192816 5C 2dyz 0.021210 -0.177202 -0.063837 0.060389 -0.188137 0.103958 5C 2dx2y2 0.046432 -0.106542 -0.035460 -0.033307 -0.026831 0.261630 5C 2dxy -0.011795 0.006794 0.132622 0.041460 0.302635 -0.639305 5C 1f0 -0.030437 -0.041323 -0.205673 0.034605 -0.144906 0.108626 5C 1f+1 0.050832 0.052592 0.260390 -0.043055 -0.002277 -0.020241 5C 1f-1 0.046221 0.021739 0.095373 -0.011184 -0.008970 -0.069501 5C 1f+2 0.043311 0.006867 0.204905 -0.078000 0.149223 -0.013124 5C 1f-2 0.002133 -0.019169 0.019471 0.015729 -0.071776 0.145296 5C 1f+3 -0.024047 0.005430 0.046959 -0.026949 -0.120848 0.269959 5C 1f-3 0.040473 -0.010164 0.016245 0.045887 -0.065551 0.050204 6C 1s -0.000010 -0.001871 -0.003403 0.003826 -0.000360 0.001824 6C 2s 0.002206 -0.006168 -0.010281 0.009649 -0.000773 0.005221 6C 3s -0.077567 -0.002646 0.098513 -0.037911 -0.057879 -0.038368 6C 4s 0.266359 0.375662 -0.051640 -0.160949 0.234266 0.012754 6C 5s 0.147246 0.517475 0.521477 0.002522 0.240397 -0.026123 6C 1pz -0.016382 0.022135 0.018783 -0.007676 0.009466 -0.015886 6C 1px -0.007866 -0.006371 0.064772 0.013565 0.058900 -0.089546 6C 1py 0.024324 -0.036921 -0.056938 0.016852 0.025421 0.001842 6C 2pz -0.084607 0.197077 0.139385 0.054448 -0.167931 0.102149 6C 2px 0.003221 0.022891 -0.972541 0.132298 -0.017113 0.578155 6C 2py 0.138337 -0.280745 0.150102 -0.153217 -0.101289 -0.025926 6C 3pz -0.064806 -0.473675 0.269349 0.034559 -0.133299 -0.146261 6C 3px -0.129156 -0.228458 0.144687 0.022475 -0.125022 -0.138254 6C 3py 0.081591 0.693150 -0.472464 -0.122666 0.432702 0.276773 6C 1dz2 -0.012467 0.029883 -0.032285 -0.005420 -0.014000 -0.019444 6C 1dxz -0.006007 0.021764 -0.025880 0.016546 -0.027144 0.022203 6C 1dyz -0.018331 0.022081 -0.077711 0.061971 0.027407 0.051479 6C 1dx2y2 0.032237 -0.014092 -0.015258 -0.019839 -0.034315 -0.017770 6C 1dxy -0.000252 -0.009306 0.044267 -0.033043 0.002824 0.012387 6C 2dz2 -0.069278 -0.051722 0.150752 0.043194 0.000315 -0.023538 6C 2dxz 0.001395 0.012435 -0.111340 0.119404 -0.012342 0.179139 6C 2dyz 0.027188 -0.158688 0.093034 -0.049712 -0.189800 0.108469 6C 2dx2y2 0.045702 -0.103377 0.050976 0.038442 -0.012847 0.273571 6C 2dxy -0.034452 -0.031431 -0.111754 -0.054773 0.310830 -0.640898 6C 1f0 0.010101 -0.005435 -0.211764 0.030314 0.141330 -0.116822 6C 1f+1 -0.027033 0.001246 0.271058 -0.040389 0.014640 0.024262 6C 1f-1 -0.034219 0.000642 0.100437 -0.009601 0.015314 0.072477 6C 1f+2 -0.023509 0.039299 0.209070 -0.075910 -0.143416 0.017962 6C 1f-2 -0.004749 0.019721 0.014522 0.014052 0.068489 -0.152480 6C 1f+3 0.024579 -0.000180 0.051095 -0.030798 0.125429 -0.277100 6C 1f-3 -0.037041 0.013628 0.015173 0.044879 0.068603 -0.053934 7C 1s 0.003320 0.003051 -0.005639 -0.003297 0.001343 -0.002138 7C 2s 0.011664 0.007612 -0.015969 -0.007901 0.003747 -0.006047 7C 3s -0.068141 0.056953 0.066905 -0.000365 0.038935 0.056571 7C 4s -0.250056 -0.713867 0.382865 0.252349 -0.312800 -0.092309 7C 5s -0.460654 -0.814621 0.361254 -0.136866 -0.329689 -0.109514 7C 1pz -0.070223 -0.054223 0.067181 -0.011368 0.010823 0.039598 7C 1px -0.057537 -0.054467 0.060995 0.044770 -0.054446 -0.042174 7C 1py -0.054991 -0.024198 0.050138 0.023394 -0.072966 -0.019246 7C 2pz -0.023155 0.433127 -0.019621 -0.083195 0.001483 -0.012944 7C 2px 0.478644 0.800124 -1.018751 -0.219653 0.451846 -0.043939 7C 2py 0.098789 0.365695 -0.293998 -0.203452 0.540712 0.143748 7C 3pz 0.195849 0.261437 0.034535 -0.254728 0.227811 0.123217 7C 3px 0.026894 -0.113825 -0.002591 -0.104244 0.031140 0.028671 7C 3py 0.125366 0.150818 0.037610 -0.220721 0.019203 0.079792 7C 1dz2 -0.024664 -0.018231 0.078842 0.008298 -0.032343 0.008701 7C 1dxz 0.010831 0.062667 -0.058838 -0.011998 0.004731 0.009177 7C 1dyz -0.024283 -0.068060 0.047766 0.011446 -0.023430 -0.003030 7C 1dx2y2 -0.000584 -0.051501 0.071548 0.029305 -0.044477 0.005216 7C 1dxy 0.001543 -0.034940 0.012139 0.021460 0.008711 0.024800 7C 2dz2 -0.129082 -0.042418 -0.175843 -0.073980 -0.132377 -0.196489 7C 2dxz 0.314555 0.374626 -0.024955 -0.082966 0.528441 0.297049 7C 2dyz -0.039528 0.051486 0.106680 -0.019245 0.097075 0.101586 7C 2dx2y2 -0.019607 -0.172959 -0.020972 0.057009 -0.012023 0.026469 7C 2dxy 0.275351 0.320865 -0.193871 0.030082 0.141718 0.015611 7C 1f0 0.008346 -0.031105 0.053635 -0.030576 0.124838 0.103995 7C 1f+1 -0.063322 -0.119173 0.002829 0.063258 -0.144596 -0.094444 7C 1f-1 0.086112 0.074138 -0.106463 0.001677 -0.102022 -0.092767 7C 1f+2 -0.058023 0.000749 0.088569 0.010458 -0.174455 -0.066345 7C 1f-2 -0.080082 -0.075694 0.149787 0.016857 -0.046604 0.047063 7C 1f+3 -0.183186 -0.312206 0.345518 -0.029818 0.160540 0.170489 7C 1f-3 -0.108454 -0.139166 0.283782 0.066850 -0.206021 0.020693 8C 1s 0.001042 -0.001596 -0.000085 0.000739 0.001790 0.000013 8C 2s 0.002590 -0.004700 0.001089 0.001638 0.004076 -0.000713 8C 3s -0.040080 0.100093 -0.068680 0.022063 0.034357 0.033608 8C 4s 0.132561 -0.393084 0.341888 -0.209171 -0.205868 -0.218750 8C 5s -0.050074 0.496525 -0.789544 0.025774 0.291337 0.357273 8C 1pz 0.014470 -0.028353 -0.018719 0.000007 0.017165 -0.028157 8C 1px 0.026963 -0.029674 -0.061364 0.026387 0.012435 0.010372 8C 1py -0.021861 0.047368 -0.019275 0.003486 0.022408 -0.019494 8C 2pz 0.005266 0.166022 -0.204732 -0.030937 0.082719 -0.057430 8C 2px -0.003699 0.156556 -0.222975 0.010925 0.380350 -0.802888 8C 2py 0.080375 -0.319166 0.005410 -0.073604 0.192193 -0.530409 8C 3pz 0.019978 -0.015823 0.108881 0.021235 -0.109188 -0.019861 8C 3px -0.007008 -0.014089 0.194608 -0.015294 -0.084858 0.046865 8C 3py 0.008317 0.098744 -0.130602 -0.015492 -0.015586 0.122674 8C 1dz2 0.015393 -0.004061 -0.009059 0.012963 -0.059526 0.074786 8C 1dxz 0.016112 0.020592 -0.095478 0.009443 0.189425 -0.366607 8C 1dyz 0.026378 -0.027705 0.060078 -0.005126 -0.024016 -0.022301 8C 1dx2y2 0.036020 -0.025067 -0.076315 -0.013229 0.109815 -0.206322 8C 1dxy 0.040977 -0.047064 -0.140750 0.027486 0.002512 0.067861 8C 2dz2 -0.052991 0.046304 0.084353 0.001713 0.034307 0.000674 8C 2dxz 0.046691 -0.106254 -0.182062 0.091002 -0.083653 0.311232 8C 2dyz -0.019273 0.150967 -0.189385 0.041936 -0.027753 0.179913 8C 2dx2y2 -0.041259 0.101054 0.027588 0.037653 -0.120928 0.317867 8C 2dxy -0.077700 0.168258 0.178561 -0.078730 0.124222 -0.405914 8C 1f0 0.057935 -0.074304 -0.129604 0.013088 0.066745 -0.118006 8C 1f+1 -0.000108 -0.009066 -0.011182 -0.010272 -0.106898 0.199188 8C 1f-1 0.005225 -0.014907 0.054611 -0.021052 -0.037063 -0.003303 8C 1f+2 -0.022588 -0.002083 0.148574 -0.065209 -0.032157 -0.048528 8C 1f-2 0.040368 -0.029895 -0.173492 0.046735 -0.017397 -0.008583 8C 1f+3 -0.023432 0.072906 0.038507 -0.061375 0.080677 -0.282040 8C 1f-3 -0.018210 -0.004809 0.135616 -0.053809 0.039687 -0.142540 9C 1s 0.001197 -0.002015 -0.000528 -0.000676 -0.002112 -0.001360 9C 2s 0.002054 -0.006745 -0.000192 -0.001778 -0.006127 -0.003629 9C 3s -0.023650 0.119523 -0.037027 -0.010528 0.045195 0.021205 9C 4s 0.010988 -0.509944 0.232217 0.190570 -0.177012 -0.014614 9C 5s -0.030178 0.248932 -0.360835 0.222395 0.006007 -0.138301 9C 1pz 0.022088 -0.051013 0.012705 -0.007840 0.009632 0.000737 9C 1px 0.042395 0.038533 -0.054509 -0.009124 0.033569 -0.004552 9C 1py 0.060595 0.035003 -0.064347 0.011228 -0.033322 -0.033441 9C 2pz -0.071968 0.178358 0.230948 -0.085992 0.580817 0.368425 9C 2px -0.200651 -0.182797 0.018959 -0.044198 -0.318170 -0.221489 9C 2py 0.086294 0.383074 -0.414758 0.028039 -0.326848 -0.302601 9C 3pz -0.013573 -0.035822 0.024937 -0.087206 -0.095595 -0.018391 9C 3px -0.024847 -0.016278 0.087882 0.036301 -0.017000 0.028229 9C 3py -0.048396 -0.107077 0.121085 -0.040071 0.104084 0.062709 9C 1dz2 -0.046625 -0.019088 0.058433 -0.038505 0.126989 0.094772 9C 1dxz -0.175961 -0.233700 0.205362 -0.043006 -0.022083 0.002034 9C 1dyz -0.053744 0.025977 0.028850 0.027232 0.006477 0.031810 9C 1dx2y2 -0.040929 -0.087225 0.158792 -0.001413 0.192356 0.156015 9C 1dxy 0.002716 0.052476 -0.095231 0.050486 -0.285344 -0.167955 9C 2dz2 0.022819 -0.105917 -0.094733 0.038965 -0.302255 -0.209870 9C 2dxz 0.378371 0.431206 -0.396741 0.008981 0.308845 0.095142 9C 2dyz 0.048782 -0.182987 0.086046 -0.021871 -0.039585 -0.004186 9C 2dx2y2 -0.083615 -0.053775 0.070583 -0.017435 -0.095725 -0.038270 9C 2dxy 0.193626 0.197780 -0.194652 -0.019620 0.245685 0.070096 9C 1f0 0.101595 0.126360 -0.086943 -0.000567 0.205377 0.086832 9C 1f+1 -0.046288 -0.003803 0.017591 0.054725 -0.204364 -0.098690 9C 1f-1 -0.043520 0.046748 -0.050926 0.010281 -0.038785 -0.026800 9C 1f+2 -0.018028 -0.054639 -0.042825 0.007705 -0.052232 -0.065777 9C 1f-2 -0.178942 -0.269043 0.251234 -0.029180 -0.046685 0.023202 9C 1f+3 -0.194300 -0.185295 0.299384 -0.021180 0.033733 0.101145 9C 1f-3 0.020548 0.032945 -0.020431 -0.013916 0.173343 0.084601 10H 1s 0.140893 0.166747 0.095947 -0.006115 0.106231 0.030499 10H 2s 0.030810 0.106844 0.242531 0.033519 -0.245427 -0.213895 10H 3s 0.021308 -0.026911 -0.102147 -0.021994 0.098335 0.100808 10H 1pz 0.009734 0.010109 0.090845 0.037578 -0.047920 -0.070914 10H 1px 0.034429 0.010648 -0.040502 -0.022056 0.123173 0.088515 10H 1py 0.054601 0.104281 0.109295 -0.011646 -0.141886 -0.098680 11H 1s -0.044834 -0.105836 -0.060054 0.022250 0.029195 0.023791 11H 2s 0.106805 0.206212 0.203591 -0.055628 -0.341967 -0.208591 11H 3s -0.046287 -0.121615 -0.103233 0.011071 0.126572 0.082278 11H 1pz 0.110673 0.196295 0.143525 -0.051996 -0.139200 -0.096600 11H 1px 0.031814 0.083837 0.109428 -0.022931 -0.161370 -0.101080 11H 1py 0.031203 0.000530 0.043719 0.006662 0.027834 -0.020169 12H 1s 0.029269 0.030469 0.071100 -0.019324 -0.122237 -0.079729 12H 2s -0.196919 -0.411001 -0.437423 0.094586 0.368295 0.338929 12H 3s 0.063975 0.114790 0.125559 -0.026405 -0.184953 -0.120925 12H 1pz 0.002508 -0.040972 -0.065550 0.016976 0.063025 0.049508 12H 1px -0.096730 -0.158299 -0.152166 0.029994 0.063132 0.078461 12H 1py -0.087494 -0.177823 -0.212081 0.042838 0.275865 0.210697 13H 1s 0.028191 -0.014768 0.100616 -0.019220 -0.025805 0.135754 13H 2s 0.070980 0.033691 0.205231 -0.136373 0.245125 -0.316161 13H 3s -0.024476 -0.044611 -0.129496 0.068040 -0.091710 0.121630 13H 1pz 0.033844 0.024145 0.099005 -0.050045 0.153539 -0.222532 13H 1px 0.008722 -0.010475 0.018484 0.005396 -0.031784 0.062498 13H 1py -0.022349 -0.010856 -0.074440 0.048731 -0.049968 0.064217 14H 1s 0.024073 -0.007699 0.042092 -0.000717 0.074840 -0.144308 14H 2s -0.117251 -0.074996 -0.327956 0.038532 -0.261982 0.549545 14H 3s 0.037724 -0.024170 0.111933 -0.005061 0.140323 -0.241070 14H 1pz -0.036907 -0.022596 -0.063184 0.013785 -0.124934 0.256736 14H 1px -0.070743 -0.038106 -0.180321 0.009359 -0.141097 0.272708 14H 1py 0.011722 0.034283 0.055466 -0.005468 0.038047 -0.111610 15H 1s -0.012547 -0.030410 -0.051767 -0.007261 -0.016281 0.044157 15H 2s 0.039431 0.006283 0.117888 0.023382 0.211530 -0.278026 15H 3s 0.003495 -0.020036 -0.090940 0.010223 -0.090488 0.069310 15H 1pz 0.022397 -0.009712 -0.002880 0.007425 -0.067247 0.047431 15H 1px 0.023406 0.015708 0.061068 0.004858 0.059768 -0.134219 15H 1py -0.033261 -0.011223 -0.113646 -0.003750 -0.116201 0.129967 16H 1s 0.357690 -0.265713 -0.072872 -0.431407 0.027614 -0.060261 16H 2s 0.842201 -0.666337 -0.213434 -0.860596 0.040824 -0.128262 16H 3s -0.195792 0.263061 0.044072 0.256463 0.016462 0.112408 16H 1pz 0.671843 -0.512229 -0.134882 -0.768547 0.029069 -0.093877 16H 1px 0.027554 -0.037283 -0.009443 -0.047585 -0.012765 -0.010701 16H 1py 0.228496 -0.190773 -0.046177 -0.273526 0.012535 -0.060226 17H 1s 0.378835 -0.215301 -0.052120 -0.463905 -0.030280 0.073738 17H 2s 0.883724 -0.551324 -0.180745 -0.878257 -0.095377 0.169943 17H 3s -0.283436 0.096141 0.061303 0.248222 0.068487 -0.094053 17H 1pz -0.518296 0.303555 0.091990 0.576880 0.051328 -0.082859 17H 1px -0.407714 0.258426 0.060904 0.461820 0.029925 -0.068193 17H 1py 0.361054 -0.206403 -0.049313 -0.415734 -0.048733 0.077444 18H 1s 0.379961 -0.201184 0.073880 0.465110 -0.017644 0.074661 18H 2s 0.901718 -0.494927 0.232121 0.882797 -0.073299 0.166806 18H 3s -0.287961 0.078118 -0.062330 -0.248889 0.061647 -0.094199 18H 1pz 0.534852 -0.282120 0.123731 0.590254 -0.035618 0.085038 18H 1px 0.412820 -0.239652 0.087527 0.464392 -0.017679 0.068012 18H 1py -0.348912 0.182739 -0.065244 -0.401142 0.036502 -0.075511 19H 1s 0.361887 -0.247856 0.107681 0.432695 0.047042 -0.058061 19H 2s 0.858498 -0.610449 0.299585 0.860763 0.076783 -0.128569 19H 3s -0.200317 0.249510 -0.086051 -0.259228 0.006756 0.111378 19H 1pz -0.675861 0.472123 -0.199724 -0.763462 -0.060522 0.090577 19H 1px -0.023891 0.030470 -0.013413 -0.042652 0.013202 0.009893 19H 1py -0.246666 0.190334 -0.077582 -0.292002 -0.026855 0.060979 20H 1s -0.005098 -0.016079 0.058853 0.007836 -0.014371 0.048187 20H 2s 0.025750 -0.023365 -0.121087 -0.026660 0.210182 -0.295613 20H 3s 0.011938 0.001076 0.096099 -0.007531 -0.092812 0.074595 20H 1pz -0.022576 0.008945 -0.002947 0.006277 0.069002 -0.049838 20H 1px -0.014963 0.000106 0.062859 0.007282 -0.058519 0.139555 20H 1py 0.020656 -0.017301 -0.119112 -0.004788 0.114614 -0.139599 21H 1s 0.017066 -0.020279 -0.039629 -0.001059 0.075193 -0.146484 21H 2s -0.070910 0.009981 0.341105 -0.029050 -0.254171 0.566861 21H 3s 0.025204 -0.047785 -0.105090 0.002852 0.132976 -0.249552 21H 1pz 0.024223 0.002828 -0.065922 0.009054 0.124738 -0.264704 21H 1px 0.045541 -0.008704 -0.187300 0.004569 0.135460 -0.281045 21H 1py -0.002973 -0.019277 0.060098 -0.003159 -0.036614 0.115941 22H 1s 0.021478 -0.034924 -0.103556 0.022103 -0.029892 0.137227 22H 2s 0.038823 -0.019893 -0.205616 0.125584 0.237008 -0.316625 22H 3s -0.010814 -0.012579 0.134818 -0.062132 -0.087943 0.122923 22H 1pz -0.016994 0.003564 0.100543 -0.044205 -0.149842 0.225497 22H 1px -0.009018 0.013632 0.018988 0.002811 0.030799 -0.063236 22H 1py 0.012229 -0.006592 -0.073828 0.045715 0.046733 -0.062450 23H 1s 0.029049 0.019523 -0.074785 0.021371 -0.125591 -0.085045 23H 2s -0.187712 -0.328678 0.501420 -0.098681 0.382346 0.361833 23H 3s 0.059601 0.088944 -0.140438 0.028586 -0.188783 -0.129916 23H 1pz -0.006592 0.026993 -0.067570 0.017979 -0.068575 -0.053910 23H 1px 0.091591 0.126259 -0.178070 0.029370 -0.060831 -0.082026 23H 1py 0.085730 0.141401 -0.238014 0.047818 -0.289109 -0.226835 24H 1s -0.045531 -0.095050 0.080790 -0.022026 0.031849 0.027693 24H 2s 0.110063 0.174095 -0.248203 0.060066 -0.361940 -0.233951 24H 3s -0.044761 -0.103005 0.128824 -0.013019 0.133263 0.091456 24H 1pz -0.114226 -0.174147 0.186507 -0.052569 0.144623 0.108187 24H 1px -0.030090 -0.064982 0.124199 -0.025876 0.171274 0.112060 24H 1py -0.028617 0.008181 0.043900 0.006429 -0.027809 0.020971 25H 1s 0.141261 0.148181 -0.136658 0.001235 0.120236 0.034736 25H 2s 0.023995 0.057522 -0.243284 -0.030621 -0.228065 -0.212497 25H 3s 0.024029 -0.006890 0.100641 0.019470 0.091562 0.099252 25H 1pz -0.003602 0.011489 0.083458 0.037434 0.038802 0.067267 25H 1px -0.034665 -0.017588 -0.030884 -0.019108 -0.125342 -0.091449 25H 1py -0.055495 -0.085830 0.124519 -0.013519 0.140341 0.102114 26O 1s -0.002429 -0.011316 -0.001985 -0.008188 -0.005160 -0.006099 26O 2s -0.007617 -0.036904 -0.004847 -0.027362 -0.016391 -0.022061 26O 3s 0.026520 0.214357 -0.033854 0.192746 0.082412 0.198406 26O 4s 0.004561 -0.311714 0.271974 -0.325300 -0.068217 -0.508396 26O 5s 0.244464 1.603820 0.495146 0.839380 0.541344 0.575252 26O 1pz 0.060477 0.059135 0.026553 0.012988 0.088751 0.029186 26O 1px -0.053953 -0.000956 -0.012835 0.017686 -0.016605 0.008281 26O 1py 0.032208 0.092980 0.013150 0.005752 -0.037621 -0.032248 26O 2pz -0.210813 -0.266796 -0.134660 -0.076114 -0.366432 -0.122120 26O 2px 0.045502 -0.257385 -0.223057 -0.132644 -0.143190 0.025404 26O 2py -0.185387 -0.489860 -0.227311 -0.049489 0.072874 0.140748 26O 3pz -0.042420 0.324735 0.187766 0.225430 0.152867 0.074518 26O 3px -0.198688 -0.268749 -0.004673 -0.197792 -0.061235 -0.065974 26O 3py -0.065954 0.094618 0.014711 0.051241 -0.120048 0.069544 26O 1dz2 -0.001473 0.008431 0.004969 0.005970 0.011085 0.000748 26O 1dxz -0.007008 -0.009307 -0.007298 -0.007022 -0.011612 -0.004000 26O 1dyz -0.005207 0.003111 0.003771 0.002713 -0.009672 -0.002681 26O 1dx2y2 0.004269 0.003512 0.003566 -0.003988 -0.010626 -0.004922 26O 1dxy -0.009735 -0.019438 -0.011179 -0.004204 0.002721 0.004036 26O 2dz2 0.007530 -0.003345 -0.004700 0.015602 0.076820 0.047974 26O 2dxz 0.077709 0.081228 0.053341 0.034869 0.212554 0.067353 26O 2dyz 0.069894 0.135070 0.079572 0.038205 0.083493 0.046581 26O 2dx2y2 -0.070813 -0.113673 -0.046671 0.039846 0.121635 0.043614 26O 2dxy 0.101947 0.244960 0.166903 -0.002420 -0.069460 -0.119817 26O 1f0 0.005114 0.006440 0.017860 -0.007249 -0.027806 -0.020856 26O 1f+1 0.033292 0.042928 0.047014 -0.000583 0.017296 -0.007665 26O 1f-1 0.002733 -0.004752 0.003277 0.002432 0.005138 0.000122 26O 1f+2 -0.004482 0.003437 0.004136 0.003445 -0.005931 -0.001589 26O 1f-2 0.022287 0.023268 0.013015 -0.000646 0.019745 0.013033 26O 1f+3 0.013943 0.030962 0.016462 -0.000437 -0.010182 -0.006470 26O 1f-3 -0.001406 -0.005930 -0.012796 0.004694 0.024025 0.018321 27O 1s -0.001212 0.001429 0.000901 0.004231 0.006630 -0.002689 27O 2s -0.004605 0.006180 0.005448 0.014146 0.023462 -0.008040 27O 3s 0.042060 -0.075058 -0.122220 -0.091714 -0.194862 0.028694 27O 4s -0.075759 0.258895 0.494112 0.133784 0.441143 -0.042623 27O 5s -0.174659 -0.461959 0.190843 -0.326664 -0.626087 0.048473 27O 1pz 0.017786 -0.002606 0.044355 -0.047159 0.038847 0.005925 27O 1px 0.014902 -0.037003 -0.027784 -0.035064 0.004666 -0.048165 27O 1py -0.029477 0.030439 -0.002481 0.044163 0.039117 -0.080077 27O 2pz -0.057768 0.004722 -0.173540 0.136090 -0.155535 0.001290 27O 2px 0.001142 0.020540 -0.248451 0.179366 -0.044700 0.036797 27O 2py 0.064973 -0.064426 0.101418 -0.124414 -0.168035 0.336150 27O 3pz 0.003135 -0.151421 -0.040707 -0.089022 -0.043314 -0.016776 27O 3px 0.134817 -0.050984 -0.094119 -0.197570 -0.020742 0.028606 27O 3py -0.037278 0.089775 -0.033662 0.217656 0.136274 -0.080579 27O 1dz2 0.002043 0.002368 0.002396 0.003733 0.002419 0.002260 27O 1dxz -0.002263 -0.002794 -0.011633 0.002818 -0.006467 0.009234 27O 1dyz 0.003192 -0.000728 -0.002179 -0.000192 -0.002757 0.000610 27O 1dx2y2 0.004030 -0.003858 -0.005877 0.000577 0.002537 -0.005731 27O 1dxy 0.000338 0.002823 0.005788 0.001051 -0.007236 0.016264 27O 2dz2 0.010149 -0.018719 -0.095135 0.046721 -0.012687 -0.007973 27O 2dxz 0.027698 0.016942 0.151030 -0.061261 0.156386 -0.038497 27O 2dyz -0.003566 0.002612 -0.063419 0.022348 -0.029036 -0.021041 27O 2dx2y2 -0.030123 -0.002796 0.029473 -0.031962 0.114589 -0.093213 27O 2dxy -0.001911 0.000636 -0.081747 0.022581 0.088862 -0.189781 27O 1f0 -0.002833 -0.004293 -0.007466 0.000926 -0.007952 0.014541 27O 1f+1 -0.007084 -0.003531 -0.007022 -0.002434 -0.014334 0.026763 27O 1f-1 0.006656 0.000553 0.020626 -0.003701 0.006164 -0.011827 27O 1f+2 0.002191 0.005158 0.017269 -0.004578 0.007457 -0.006146 27O 1f-2 -0.006951 0.002334 -0.021682 0.010832 0.003598 -0.028681 27O 1f+3 0.009596 0.005749 0.032643 -0.006941 -0.009316 0.021549 27O 1f-3 -0.003235 -0.001139 -0.014391 0.001962 -0.016908 0.027635 28O 1s -0.005125 -0.004424 -0.004405 -0.002654 -0.002847 0.004598 28O 2s -0.017465 -0.013836 -0.015325 -0.008731 -0.009190 0.016304 28O 3s 0.137455 0.091676 0.151080 0.054213 0.056764 -0.145270 28O 4s -0.168952 -0.080401 -0.433980 -0.040489 0.034482 0.389470 28O 5s 0.203993 0.472087 -0.092637 0.103483 0.314338 -0.198461 28O 1pz -0.054449 -0.132096 -0.041263 0.054702 -0.032929 -0.015376 28O 1px -0.035382 -0.024131 -0.027887 -0.015484 -0.030745 0.001449 28O 1py -0.066556 -0.112770 -0.086329 0.017971 -0.038191 0.020915 28O 2pz 0.174075 0.325863 0.210176 -0.169389 0.080530 0.026417 28O 2px 0.125198 0.163756 -0.050705 0.097522 0.174642 0.080567 28O 2py 0.239882 0.366681 0.340217 -0.045725 0.130713 -0.079376 28O 3pz -0.122147 -0.523489 -0.132832 0.231807 -0.142581 -0.098685 28O 3px 0.020135 0.278346 -0.005366 -0.166477 0.119790 0.081997 28O 3py -0.089979 -0.161255 -0.108842 0.092206 -0.080918 -0.112992 28O 1dz2 0.003127 0.005232 -0.000259 0.001938 0.007015 0.005325 28O 1dxz -0.002449 0.002994 0.002574 -0.002400 -0.001732 -0.002704 28O 1dyz 0.001846 0.007698 0.000190 0.002554 0.002050 0.002291 28O 1dx2y2 -0.004116 -0.007021 -0.002777 -0.004719 -0.003821 0.000666 28O 1dxy -0.010087 -0.008228 -0.011539 -0.003103 -0.000517 0.002932 28O 2dz2 -0.118108 -0.160000 -0.052260 -0.016433 -0.042578 -0.024204 28O 2dxz -0.018964 -0.088110 -0.020731 -0.037679 -0.016445 -0.017678 28O 2dyz -0.158789 -0.188079 -0.211538 -0.023434 -0.116245 0.023779 28O 2dx2y2 0.076746 0.119574 0.046577 0.027268 0.107564 0.060058 28O 2dxy 0.093028 0.120188 0.176754 -0.005337 0.026140 -0.087387 28O 1f0 -0.025644 -0.051230 -0.041587 0.006909 0.019775 0.019389 28O 1f+1 0.005574 0.003451 -0.007156 0.003150 0.012996 0.011258 28O 1f-1 -0.011104 -0.025826 -0.013718 -0.008335 -0.020631 -0.007148 28O 1f+2 0.007236 0.010809 0.014741 0.005053 0.019450 0.006246 28O 1f-2 0.021366 0.029549 0.023226 0.000106 0.021607 0.002727 28O 1f+3 0.003444 -0.005972 -0.000503 0.006658 0.017888 0.014330 28O 1f-3 0.006613 0.005347 0.014737 -0.002193 -0.026183 -0.018534 29O 1s -0.031812 0.020588 0.000791 0.044217 0.001847 -0.000063 29O 2s -0.127431 0.083182 0.005610 0.173923 0.006919 -0.000416 29O 3s 1.364866 -0.906616 -0.103280 -1.809770 -0.067645 0.007041 29O 4s -2.973101 2.021098 0.230550 4.006532 0.163261 -0.003953 29O 5s 0.437937 -0.393213 0.348317 -1.476952 -0.150676 -0.084281 29O 1pz -0.070021 0.080891 0.028092 0.078807 -0.016240 0.048624 29O 1px 0.159049 -0.115193 -0.054762 -0.178521 -0.021216 0.015135 29O 1py -0.225193 0.140057 0.044781 0.248907 -0.014914 -0.015672 29O 2pz 0.310379 -0.362087 -0.107381 -0.353673 0.093714 -0.250315 29O 2px -0.720551 0.474640 0.181886 0.779437 0.080465 -0.093367 29O 2py 1.046270 -0.679026 -0.191013 -1.177713 0.001089 0.052988 29O 3pz 0.030282 0.015229 0.031513 -0.114942 -0.007692 0.023148 29O 3px -0.006122 0.044196 -0.141672 0.321234 0.009697 0.020332 29O 3py -0.019933 -0.017296 -0.055554 0.127187 -0.019889 0.004477 29O 1dz2 0.024737 -0.013288 -0.001990 -0.027144 -0.004517 0.002191 29O 1dxz 0.011543 -0.010187 0.000404 -0.010353 -0.001009 -0.005997 29O 1dyz -0.005227 -0.002421 -0.000074 0.005157 0.006565 -0.006617 29O 1dx2y2 0.006318 -0.006305 -0.001703 -0.019127 0.001246 -0.001830 29O 1dxy -0.004779 0.002911 0.002027 0.006169 -0.005289 -0.004908 29O 2dz2 -0.277352 0.239699 0.062177 0.335098 -0.032801 0.075090 29O 2dxz -0.229967 0.110947 0.032658 0.273129 0.032912 -0.088373 29O 2dyz -0.077004 0.089876 0.028048 0.087133 -0.030988 0.092060 29O 2dx2y2 0.077044 -0.074099 -0.017260 -0.126686 0.013406 -0.024751 29O 2dxy 0.369565 -0.227477 -0.057398 -0.421070 -0.047117 0.043009 29O 1f0 -0.053040 0.038890 0.007047 0.068475 0.000753 0.008268 29O 1f+1 0.022825 -0.009152 -0.000729 -0.029391 -0.008455 0.011034 29O 1f-1 -0.059477 0.044950 0.013786 0.072624 -0.008139 0.008195 29O 1f+2 0.025688 -0.020617 -0.000265 -0.031602 -0.002438 -0.008098 29O 1f-2 -0.040720 0.016323 0.004221 0.048350 0.012324 -0.017076 29O 1f+3 0.028247 -0.017613 -0.001794 -0.028562 -0.003884 0.005940 29O 1f-3 0.020159 -0.008709 -0.004777 -0.028888 0.008690 0.013495 30O 1s 0.004328 0.006271 -0.001839 0.003036 -0.002769 0.000861 30O 2s 0.015009 0.023020 -0.006575 0.009359 -0.010283 0.003606 30O 3s -0.114476 -0.199007 0.087978 -0.057574 0.108034 -0.040769 30O 4s 0.274293 0.422219 -0.304145 0.075654 -0.357757 0.240078 30O 5s -0.780476 -0.858821 -0.390712 -0.245545 0.028817 -0.223333 30O 1pz -0.048409 -0.024315 -0.077728 0.008730 -0.014295 -0.006395 30O 1px 0.024754 0.002204 -0.048501 0.035492 -0.006442 -0.045919 30O 1py 0.040854 0.012804 0.060858 -0.020305 0.012547 0.071039 30O 2pz 0.176888 0.080891 0.367014 -0.005468 0.082023 -0.026997 30O 2px -0.067943 0.001639 0.039062 -0.114337 -0.077325 0.198907 30O 2py -0.136880 -0.028423 -0.282617 0.039816 -0.071926 -0.258518 30O 3pz -0.173711 -0.011848 -0.158189 0.063719 0.150561 -0.069025 30O 3px -0.143637 -0.168589 -0.049647 -0.127385 -0.031631 -0.026717 30O 3py 0.235547 0.123259 0.366789 -0.114138 0.034938 0.212857 30O 1dz2 0.003063 0.001138 0.010997 -0.001896 0.004559 -0.002844 30O 1dxz -0.005371 0.000878 -0.002939 -0.005578 0.002427 0.006763 30O 1dyz 0.003586 0.003043 0.000220 -0.002229 0.001165 -0.005214 30O 1dx2y2 -0.000212 -0.003441 -0.002446 0.004176 0.003135 -0.005420 30O 1dxy 0.003566 -0.003445 0.003729 0.007673 0.000968 0.006888 30O 2dz2 -0.030077 -0.017574 -0.096690 0.000622 0.029575 0.048224 30O 2dxz 0.022506 0.010399 0.067512 0.015886 0.079593 -0.114956 30O 2dyz 0.068996 0.008671 0.158323 -0.021467 -0.010164 0.084698 30O 2dx2y2 0.030621 -0.008968 0.159689 -0.060772 0.018770 0.138981 30O 2dxy 0.028116 0.040502 0.075435 -0.010346 -0.031416 -0.011675 30O 1f0 0.000270 0.004775 0.006298 -0.003265 0.010108 -0.014297 30O 1f+1 0.008040 0.000368 0.012490 0.001929 0.010840 -0.028716 30O 1f-1 -0.000521 -0.000469 0.003175 -0.001728 -0.021174 0.039156 30O 1f+2 -0.000897 0.001529 0.015156 -0.006390 -0.013628 0.031195 30O 1f-2 -0.003575 0.003442 -0.000229 -0.003314 0.004823 -0.002701 30O 1f+3 0.007690 -0.001448 0.005656 0.001928 0.002110 0.003093 30O 1f-3 0.006963 0.012207 0.046953 -0.018325 0.014483 0.001823 31O 1s 0.004318 0.006095 0.000645 -0.003236 -0.003035 0.000897 31O 2s 0.014967 0.022416 0.002127 -0.010075 -0.011276 0.003688 31O 3s -0.117151 -0.201514 -0.047644 0.062981 0.117539 -0.040266 31O 4s 0.292537 0.454773 0.205215 -0.082669 -0.386401 0.234019 31O 5s -0.708925 -0.698756 0.567228 0.286953 0.053691 -0.232195 31O 1pz 0.040871 0.006103 -0.084858 0.006988 0.010181 0.005914 31O 1px -0.028516 -0.010505 -0.047052 0.036549 0.003980 0.046182 31O 1py -0.033151 0.004173 0.066806 -0.019883 -0.011542 -0.073290 31O 2pz -0.140295 0.004155 0.385927 0.002214 -0.071295 0.027499 31O 2px 0.069508 -0.000032 0.044348 -0.120416 0.090510 -0.195989 31O 2py 0.107179 -0.042462 -0.295316 0.037279 0.072165 0.268056 31O 3pz 0.154184 -0.032785 -0.172815 0.063211 -0.158532 0.070516 31O 3px 0.125458 0.143095 -0.079558 -0.136107 0.017135 0.027685 31O 3py -0.205312 -0.035151 0.406763 -0.108205 -0.016522 -0.208135 31O 1dz2 0.002164 -0.000999 -0.011196 0.001658 0.003549 -0.003153 31O 1dxz -0.004903 0.001797 0.002769 0.005643 0.002352 0.006762 31O 1dyz 0.003363 0.002532 -0.000806 0.001921 0.001417 -0.005103 31O 1dx2y2 0.000355 -0.002829 0.003306 -0.004226 0.003905 -0.005258 31O 1dxy 0.003586 -0.004073 -0.003182 -0.007562 0.000812 0.006888 31O 2dz2 -0.017567 0.004865 0.100470 0.000161 0.033889 0.049833 31O 2dxz 0.015746 -0.004871 -0.066846 -0.019248 0.078735 -0.117911 31O 2dyz 0.052686 -0.026853 -0.162920 0.021094 -0.017006 0.085736 31O 2dx2y2 0.017489 -0.041474 -0.162613 0.062330 0.011667 0.139172 31O 2dxy 0.020938 0.025269 -0.085212 0.010120 -0.039658 -0.016528 31O 1f0 0.000918 -0.002854 0.007275 -0.003062 -0.009717 0.015320 31O 1f+1 -0.006124 0.003143 0.012408 0.002371 -0.010339 0.029214 31O 1f-1 -0.000091 -0.000059 0.003463 -0.002317 0.022022 -0.040148 31O 1f+2 0.001926 0.001088 0.015679 -0.006895 0.014916 -0.031919 31O 1f-2 0.003847 -0.003381 -0.000147 -0.003139 -0.004860 0.002677 31O 1f+3 -0.007061 0.003131 0.006011 0.001800 -0.002305 -0.003293 31O 1f-3 -0.002306 -0.001789 0.049457 -0.017801 -0.013034 -0.000674 32O 1s -0.031690 0.020145 -0.003322 -0.044363 0.000239 -0.000317 32O 2s -0.127186 0.080834 -0.015796 -0.174486 0.000614 -0.001339 32O 3s 1.366891 -0.871059 0.213642 1.815526 -0.002260 0.015295 32O 4s -2.980153 1.939872 -0.480275 -4.019642 0.017656 -0.021816 32O 5s 0.405093 -0.463750 -0.272034 1.484391 -0.089515 -0.065185 32O 1pz 0.066896 -0.070980 0.039493 0.072946 0.021668 -0.048364 32O 1px -0.165298 0.102007 -0.068550 -0.181495 0.016079 -0.014758 32O 1py 0.227777 -0.129478 0.060602 0.249125 0.024306 0.014909 32O 2pz -0.291860 0.321141 -0.159948 -0.323580 -0.119041 0.248936 32O 2px 0.743944 -0.430755 0.235199 0.793409 -0.058053 0.091834 32O 2py -1.059264 0.631422 -0.269492 -1.181722 -0.045035 -0.048571 32O 3pz -0.027208 -0.005788 0.033286 -0.116702 0.002042 -0.024162 32O 3px -0.004649 -0.072084 -0.127768 0.320963 0.004053 -0.015890 32O 3py 0.011140 -0.000575 -0.055252 0.128052 0.027097 -0.001949 32O 1dz2 0.025279 -0.012342 0.003353 0.027409 -0.003765 0.002471 32O 1dxz 0.011649 -0.009622 0.000981 0.010231 -0.000876 -0.005885 32O 1dyz -0.004077 -0.003170 0.001137 -0.003827 0.006608 -0.006594 32O 1dx2y2 0.006672 -0.005465 0.002635 0.019038 0.001697 -0.001614 32O 1dxy -0.004596 0.002100 -0.002163 -0.005532 -0.005380 -0.004970 32O 2dz2 -0.279249 0.221636 -0.094192 -0.334044 -0.046646 0.069442 32O 2dxz -0.236815 0.103834 -0.041420 -0.280334 0.027043 -0.090800 32O 2dyz -0.088323 0.091159 -0.046911 -0.097475 -0.040475 0.092706 32O 2dx2y2 0.076341 -0.067921 0.028192 0.123272 0.019904 -0.026845 32O 2dxy 0.369790 -0.209521 0.080930 0.419290 -0.033887 0.040496 32O 1f0 0.049859 -0.034377 0.011106 0.064183 0.001497 -0.007611 32O 1f+1 -0.025599 0.010145 -0.001738 -0.033014 0.007941 -0.011542 32O 1f-1 0.062106 -0.043132 0.020234 0.075442 0.011560 -0.007960 32O 1f+2 -0.028749 0.021687 -0.003948 -0.035341 0.000801 0.007685 32O 1f-2 0.039797 -0.014505 0.004861 0.047313 -0.011416 0.017074 32O 1f+3 -0.026715 0.016667 -0.003434 -0.027102 0.002878 -0.005242 32O 1f-3 -0.019725 0.007401 -0.005243 -0.028003 -0.009271 -0.013709 33O 1s -0.004808 -0.003537 0.005254 0.002912 -0.002481 0.004526 33O 2s -0.016270 -0.010726 0.017925 0.009607 -0.007850 0.016101 33O 3s 0.124124 0.060017 -0.165832 -0.060781 0.045796 -0.144299 33O 4s -0.123782 0.013450 0.425224 0.050289 0.061751 0.391556 33O 5s 0.194761 0.490213 -0.004259 -0.145627 0.254957 -0.197533 33O 1pz 0.059142 0.124934 -0.069057 0.052405 0.044190 0.018061 33O 1px 0.035150 0.019635 -0.033914 -0.017005 0.033406 -0.000159 33O 1py 0.061897 0.091807 -0.108203 0.015832 0.048460 -0.019164 33O 2pz -0.176608 -0.283936 0.274870 -0.164153 -0.115353 -0.035194 33O 2px -0.139047 -0.180155 -0.004423 0.105232 -0.183818 -0.087215 33O 2py -0.221937 -0.287146 0.410303 -0.039639 -0.160671 0.075790 33O 3pz 0.130666 0.488921 -0.241014 0.219670 0.185780 0.109521 33O 3px -0.019108 -0.275778 0.053810 -0.153122 -0.114532 -0.085705 33O 3py 0.095343 0.136743 -0.146955 0.089577 0.110528 0.122734 33O 1dz2 0.003673 0.005598 -0.001144 -0.002186 0.007233 0.005488 33O 1dxz -0.002367 0.002711 -0.002998 0.002520 -0.001604 -0.002704 33O 1dyz 0.001536 0.007299 -0.001674 -0.002725 0.002129 0.002316 33O 1dx2y2 -0.004158 -0.006341 0.004274 0.004969 -0.004860 0.000221 33O 1dxy -0.009579 -0.005712 0.013037 0.003138 -0.001251 0.002763 33O 2dz2 -0.121335 -0.150341 0.088459 0.020016 -0.057116 -0.030642 33O 2dxz -0.018257 -0.082271 0.038647 0.039056 -0.015937 -0.016936 33O 2dyz -0.150253 -0.141894 0.248775 0.027355 -0.130999 0.020957 33O 2dx2y2 0.079395 0.111541 -0.075029 -0.031357 0.117809 0.065516 33O 2dxy 0.082547 0.080422 -0.196115 0.003608 0.031183 -0.090212 33O 1f0 0.025817 0.044169 -0.051181 0.006952 -0.019889 -0.020789 33O 1f+1 -0.006434 -0.005079 -0.005392 0.003588 -0.014092 -0.011932 33O 1f-1 0.010389 0.022558 -0.019020 -0.009118 0.022132 0.008090 33O 1f+2 -0.006017 -0.007129 0.016893 0.005689 -0.021886 -0.007353 33O 1f-2 -0.020132 -0.024190 0.029369 0.000974 -0.023668 -0.003503 33O 1f+3 -0.002866 0.006526 -0.000982 0.006997 -0.020354 -0.015963 33O 1f-3 -0.006608 -0.002952 0.014941 -0.002738 0.026886 0.019956 34O 1s -0.001167 0.000848 -0.000901 -0.004474 0.007373 -0.002431 34O 2s -0.004628 0.003692 -0.005698 -0.015034 0.025955 -0.007181 34O 3s 0.047970 -0.039577 0.129424 0.099670 -0.212055 0.022422 34O 4s -0.104910 0.137065 -0.527025 -0.155469 0.469618 -0.032180 34O 5s -0.180641 -0.443830 -0.114678 0.367820 -0.713839 0.019045 34O 1pz -0.015801 0.009581 0.045757 -0.046590 -0.036535 -0.002661 34O 1px -0.016149 0.029345 -0.033888 -0.034663 -0.006436 0.049381 34O 1py 0.029331 -0.027598 0.000291 0.045014 -0.041152 0.080702 34O 2pz 0.046551 -0.036660 -0.178488 0.134108 0.147942 -0.012695 34O 2px -0.020051 -0.062962 -0.245608 0.176225 0.037632 -0.042658 34O 2py -0.059645 0.073239 0.098934 -0.128576 0.179636 -0.339042 34O 3pz -0.002783 0.133811 -0.067085 -0.093347 0.053819 0.018701 34O 3px -0.136846 0.031193 -0.101480 -0.187618 -0.004778 -0.036549 34O 3py 0.030798 -0.080085 -0.020576 0.217916 -0.155997 0.074259 34O 1dz2 0.001592 0.001636 -0.003119 -0.003837 0.002496 0.002288 34O 1dxz -0.000803 0.000002 0.012157 -0.002605 -0.005781 0.009766 34O 1dyz 0.003533 -0.000293 0.002042 0.000223 -0.002509 0.000476 34O 1dx2y2 0.004298 -0.002940 0.006652 -0.000467 0.002760 -0.005539 34O 1dxy -0.000308 0.001602 -0.006655 -0.000873 -0.008064 0.016443 34O 2dz2 0.016322 -0.001386 0.098612 -0.045965 -0.007547 -0.005674 34O 2dxz 0.013260 -0.017507 -0.156304 0.058661 0.152154 -0.046794 34O 2dyz 0.003513 0.016609 0.063346 -0.022719 -0.025164 -0.019057 34O 2dx2y2 -0.034186 -0.011056 -0.027119 0.029723 0.117082 -0.095650 34O 2dxy 0.002525 0.012793 0.084875 -0.024865 0.096275 -0.193167 34O 1f0 0.001628 0.002348 -0.008337 0.000625 0.007257 -0.015643 34O 1f+1 0.005390 0.001163 -0.007610 -0.003085 0.014300 -0.027430 34O 1f-1 -0.004387 0.004218 0.020809 -0.003437 -0.005814 0.012289 34O 1f+2 -0.000567 -0.001319 0.018527 -0.004463 -0.007000 0.007058 34O 1f-2 0.005507 -0.006557 -0.021794 0.011172 -0.004175 0.028980 34O 1f+3 -0.006641 0.000873 0.034165 -0.007073 0.011414 -0.021602 34O 1f-3 0.001499 -0.002527 -0.014246 0.001421 0.016485 -0.028414 35O 1s -0.002376 -0.010897 0.004250 0.008540 -0.005453 -0.006365 35O 2s -0.007481 -0.035875 0.012244 0.028545 -0.017324 -0.022895 35O 3s 0.028013 0.221328 -0.009754 -0.200337 0.086778 0.202326 35O 4s -0.008941 -0.368509 -0.203455 0.337635 -0.075627 -0.508772 35O 5s 0.218646 1.493977 -0.799746 -0.898887 0.570949 0.605500 35O 1pz -0.058511 -0.051733 0.040746 0.016343 -0.093813 -0.032961 35O 1px 0.055522 -0.000335 -0.016623 0.017757 0.019685 -0.007619 35O 1py -0.034741 -0.091580 0.030938 0.006331 0.038436 0.033593 35O 2pz 0.201885 0.231114 -0.195806 -0.089713 0.388033 0.137902 35O 2px -0.062506 0.205576 -0.261162 -0.141317 0.146154 -0.015772 35O 2py 0.187407 0.449030 -0.321210 -0.055470 -0.070690 -0.142681 35O 3pz 0.057699 -0.278274 0.237656 0.236936 -0.166427 -0.080540 35O 3px 0.209897 0.271138 -0.069074 -0.209383 0.066837 0.072182 35O 3py 0.063829 -0.095383 0.028341 0.052452 0.115520 -0.072180 35O 1dz2 -0.001893 0.007181 -0.006389 -0.006264 0.011297 0.001005 35O 1dxz -0.006810 -0.007592 0.009247 0.007452 -0.013048 -0.004617 35O 1dyz -0.005289 0.002561 -0.003950 -0.002643 -0.010146 -0.002879 35O 1dx2y2 0.004465 0.002942 -0.004000 0.004123 -0.010234 -0.005279 35O 1dxy -0.009904 -0.017381 0.015118 0.004234 0.002661 0.004256 35O 2dz2 0.003809 -0.006884 0.005358 -0.016519 0.081155 0.049421 35O 2dxz 0.071221 0.063163 -0.072612 -0.040816 0.227176 0.077862 35O 2dyz 0.068139 0.117614 -0.108114 -0.042448 0.094175 0.051980 35O 2dx2y2 -0.076647 -0.110460 0.070440 -0.041417 0.126686 0.050816 35O 2dxy 0.101797 0.215289 -0.212015 0.000290 -0.067668 -0.123089 35O 1f0 -0.004736 -0.003533 0.018546 -0.007844 0.028948 0.022486 35O 1f+1 -0.031270 -0.032988 0.055280 0.000301 -0.019745 0.007286 35O 1f-1 -0.002037 0.005856 0.002158 0.002392 -0.005563 -0.000301 35O 1f+2 0.005194 -0.002183 0.003894 0.003351 0.007118 0.002094 35O 1f-2 -0.021815 -0.020229 0.018503 0.000075 -0.022231 -0.014072 35O 1f+3 -0.014294 -0.028128 0.022439 -0.000322 0.010666 0.007194 35O 1f-3 0.001060 0.003562 -0.012962 0.005365 -0.025560 -0.019994 558 559 560 561 562 563 3.74643 3.74737 3.75908 3.80953 3.81013 3.82396 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s 0.001322 0.000995 0.002142 0.000678 0.001841 0.000214 0Rh 2s -0.010187 -0.008575 -0.016029 -0.005816 -0.014606 -0.001760 0Rh 3s 0.001738 0.000761 0.003105 0.000539 0.002178 0.000217 0Rh 4s 0.056031 0.047043 0.088383 0.032088 0.080664 0.009829 0Rh 5s -0.118903 -0.103769 -0.186150 -0.071052 -0.174838 -0.021824 0Rh 6s 0.081296 0.090000 0.118832 0.060034 0.133085 0.017421 0Rh 7s 0.012869 -0.011013 0.173107 -0.029409 0.003710 0.039487 0Rh 8s -0.192820 0.026189 -0.067353 -0.125438 -0.122707 0.080429 0Rh 1pz 0.001975 -0.003248 0.003412 0.000772 -0.006052 -0.003923 0Rh 1px -0.001723 0.000650 -0.004537 -0.001667 -0.004405 -0.001678 0Rh 1py 0.001268 0.000262 -0.003939 0.007880 0.001412 -0.001397 0Rh 2pz -0.007689 0.012555 -0.013402 -0.002963 0.023109 0.015130 0Rh 2px 0.006972 -0.002514 0.018098 0.006447 0.017195 0.006574 0Rh 2py -0.004920 -0.001025 0.015256 -0.030306 -0.005342 0.005391 0Rh 3pz 0.017559 -0.026442 0.032476 0.005819 -0.042203 -0.030748 0Rh 3px -0.021271 0.005383 -0.049524 -0.013456 -0.039227 -0.015401 0Rh 3py 0.010609 0.002299 -0.032655 0.059721 0.008805 -0.010802 0Rh 4pz -0.011203 0.006008 -0.023804 0.000118 -0.018507 0.001329 0Rh 4px 0.032773 -0.001979 0.056627 0.001860 0.019572 0.008401 0Rh 4py -0.002374 -0.000168 0.009240 0.006476 0.007945 -0.001498 0Rh 5pz 0.007024 0.029683 0.004286 -0.008289 0.107363 0.043538 0Rh 5px -0.053493 0.000222 -0.053130 0.015327 0.016027 0.013796 0Rh 5py -0.013361 -0.010004 0.029374 -0.110717 -0.029674 0.020995 0Rh 6pz -0.117298 -0.156599 -0.056811 -0.025958 -0.109726 0.033327 0Rh 6px 0.490071 -0.172840 0.314821 0.084371 0.140460 -0.252652 0Rh 6py 0.189617 0.077253 -0.058392 0.066562 -0.033011 0.129994 0Rh 1dz2 0.081397 0.114687 -0.016471 -0.052371 0.129257 -0.046997 0Rh 1dxz 0.074691 0.015597 0.012406 -0.010856 -0.063754 -0.078067 0Rh 1dyz -0.097192 -0.053491 0.041752 0.004166 -0.051957 0.011079 0Rh 1dx2y2 0.062146 0.054527 -0.017401 -0.075734 -0.014167 -0.065848 0Rh 1dxy 0.018314 0.034630 -0.048566 0.111843 0.025038 -0.050958 0Rh 2dz2 0.012352 0.018537 -0.002884 -0.008052 0.018716 -0.009888 0Rh 2dxz 0.011073 0.002024 0.000529 -0.002499 -0.008282 -0.010962 0Rh 2dyz -0.017558 -0.006699 0.006766 0.003093 -0.007753 -0.000747 0Rh 2dx2y2 0.009326 0.008623 -0.001431 -0.010511 -0.000148 -0.010419 0Rh 2dxy 0.001417 0.006474 -0.005927 0.015532 0.003856 -0.008037 0Rh 3dz2 -0.349750 -0.498709 0.072745 0.227863 -0.557280 0.217945 0Rh 3dxz -0.320241 -0.065656 -0.047174 0.051373 0.270348 0.335862 0Rh 3dyz 0.432538 0.223212 -0.182227 -0.029593 0.225246 -0.036378 0Rh 3dx2y2 -0.266469 -0.236286 0.069403 0.324765 0.052225 0.288997 0Rh 3dxy -0.071932 -0.155139 0.202761 -0.479919 -0.109467 0.223822 0Rh 4dz2 0.442895 0.656300 -0.095910 -0.300580 0.730885 -0.319681 0Rh 4dxz 0.411572 0.082061 0.048182 -0.076654 -0.345453 -0.439753 0Rh 4dyz -0.607180 -0.268975 0.245575 0.064282 -0.296681 0.015973 0Rh 4dx2y2 0.337515 0.307478 -0.078455 -0.422065 -0.052292 -0.390918 0Rh 4dxy 0.070614 0.216522 -0.248269 0.627501 0.147432 -0.306976 0Rh 5dz2 -0.141210 -0.498348 0.048653 0.187808 -0.488063 0.372300 0Rh 5dxz -0.251445 -0.044035 0.039627 0.087230 0.207038 0.277816 0Rh 5dyz 0.841749 0.028741 -0.254496 -0.175451 0.180658 0.222379 0Rh 5dx2y2 -0.151188 -0.197300 -0.023033 0.248726 -0.027771 0.310398 0Rh 5dxy 0.152661 -0.233445 0.067039 -0.425678 -0.118109 0.300247 0Rh 1f0 0.004194 0.011939 0.003702 0.005830 -0.013656 0.006778 0Rh 1f+1 0.011538 0.002828 0.001787 -0.003036 -0.004993 -0.015756 0Rh 1f-1 0.000456 -0.006265 0.001533 -0.008644 0.004871 -0.000423 0Rh 1f+2 -0.007154 -0.000503 0.001180 -0.009279 0.001725 0.005668 0Rh 1f-2 0.001009 -0.000477 -0.000580 0.009255 -0.002452 0.001166 0Rh 1f+3 -0.006009 0.017703 0.008325 0.000213 -0.011586 0.011791 0Rh 1f-3 -0.003817 -0.007677 -0.004690 0.011851 -0.001097 0.006125 1Rh 1s -0.000452 0.001608 -0.002189 -0.000735 -0.001811 -0.000218 1Rh 2s 0.002929 -0.013153 0.016436 0.006345 0.014350 0.001783 1Rh 3s -0.000926 0.001655 -0.003140 -0.000558 -0.002151 -0.000227 1Rh 4s -0.016192 0.072244 -0.090624 -0.035002 -0.079251 -0.009954 1Rh 5s 0.031965 -0.156587 0.191114 0.077683 0.171734 0.022046 1Rh 6s -0.010140 0.122785 -0.123137 -0.066489 -0.130574 -0.017335 1Rh 7s -0.021713 -0.000464 -0.171710 0.040906 -0.002253 -0.043546 1Rh 8s 0.174854 -0.098096 0.069685 0.125964 0.122891 -0.079021 1Rh 1pz 0.003223 0.001428 0.003127 0.000718 -0.006029 -0.003863 1Rh 1px -0.001802 0.000526 -0.004612 -0.001684 -0.004437 -0.001634 1Rh 1py 0.000671 -0.001039 -0.003854 0.007721 0.001423 -0.001384 1Rh 2pz -0.012510 -0.005488 -0.012307 -0.002750 0.023031 0.014874 1Rh 2px 0.007217 -0.002221 0.018389 0.006510 0.017319 0.006399 1Rh 2py -0.002598 0.004034 0.014927 -0.029685 -0.005391 0.005342 1Rh 3pz 0.027598 0.010762 0.030305 0.005258 -0.042258 -0.029690 1Rh 3px -0.020524 0.008556 -0.050164 -0.013487 -0.039482 -0.014938 1Rh 3py 0.005486 -0.008689 -0.031975 0.058343 0.008966 -0.010733 1Rh 4pz -0.012602 0.001848 -0.023703 0.000788 -0.017560 -0.001149 1Rh 4px 0.027492 -0.018024 0.056917 0.001388 0.019577 0.007912 1Rh 4py -0.000764 0.001251 0.009219 0.007116 0.007657 -0.001333 1Rh 5pz -0.009123 -0.028054 0.006037 -0.009367 0.105163 0.048286 1Rh 5px -0.042681 0.031458 -0.053117 0.016836 0.016596 0.014166 1Rh 5py -0.006350 0.018085 0.027784 -0.110502 -0.029254 0.020386 1Rh 6pz 0.007821 0.191400 -0.024149 -0.021575 -0.109341 0.023694 1Rh 6px 0.495077 -0.154021 0.322986 0.076008 0.135470 -0.250435 1Rh 6py 0.139790 -0.187511 -0.043186 0.076685 -0.030550 0.129124 1Rh 1dz2 0.011809 0.137436 0.018589 0.053537 -0.129761 0.045422 1Rh 1dxz -0.047445 0.058605 -0.016381 0.010252 0.062986 0.080177 1Rh 1dyz 0.041929 -0.102173 -0.041695 -0.004339 0.052466 -0.011366 1Rh 1dx2y2 -0.009979 0.079017 0.016551 0.076227 0.013296 0.066636 1Rh 1dxy 0.002213 0.041327 0.046628 -0.112941 -0.024724 0.050681 1Rh 2dz2 0.002537 0.021724 0.003227 0.008237 -0.018794 0.009617 1Rh 2dxz -0.007171 0.008410 -0.001145 0.002390 0.008161 0.011301 1Rh 2dyz 0.009498 -0.016161 -0.006728 -0.003119 0.007802 0.000707 1Rh 2dx2y2 -0.001146 0.012189 0.001311 0.010587 0.000008 0.010548 1Rh 2dxy 0.002096 0.006392 0.005609 -0.015714 -0.003814 0.007992 1Rh 3dz2 -0.054576 -0.595116 -0.081975 -0.232967 0.559492 -0.210942 1Rh 3dxz 0.203995 -0.250110 0.064377 -0.048667 -0.266994 -0.345144 1Rh 3dyz -0.196243 0.443248 0.181850 0.030344 -0.227330 0.037612 1Rh 3dx2y2 0.040859 -0.340695 -0.065784 -0.326927 -0.048403 -0.292474 1Rh 3dxy -0.018377 -0.178432 -0.194297 0.484773 0.108130 -0.222596 1Rh 4dz2 0.085106 0.772671 0.108176 0.307414 -0.733886 0.310043 1Rh 4dxz -0.263404 0.319294 -0.070866 0.072842 0.340987 0.452382 1Rh 4dyz 0.304137 -0.587960 -0.244891 -0.065301 0.299175 -0.017580 1Rh 4dx2y2 -0.045512 0.437671 0.073812 0.425031 0.047132 0.395667 1Rh 4dxy 0.050293 0.229501 0.236994 -0.634177 -0.145707 0.305282 1Rh 5dz2 -0.215204 -0.467024 -0.058313 -0.192729 0.490233 -0.364312 1Rh 5dxz 0.164593 -0.189350 -0.021812 -0.083230 -0.204033 -0.288011 1Rh 5dyz -0.641155 0.547794 0.254362 0.176252 -0.181551 -0.221602 1Rh 5dx2y2 -0.024510 -0.239520 0.026212 -0.251545 0.031675 -0.314178 1Rh 5dxy -0.240986 -0.099587 -0.057662 0.431418 0.116994 -0.298915 1Rh 1f0 -0.003635 -0.012081 0.003275 0.005828 -0.013602 0.007181 1Rh 1f+1 0.007943 -0.009712 0.000999 -0.003297 -0.005253 -0.015090 1Rh 1f-1 0.005390 0.004363 0.002162 -0.008386 0.004742 -0.000278 1Rh 1f+2 -0.004571 0.004469 0.001478 -0.009027 0.001878 0.005176 1Rh 1f-2 0.000288 0.000096 -0.000560 0.009232 -0.002273 0.000910 1Rh 1f+3 -0.015149 -0.010542 0.008733 0.000221 -0.011795 0.012144 1Rh 1f-3 0.000303 0.008672 -0.005499 0.011646 -0.001063 0.006209 2C 1s -0.001916 0.002847 0.000146 -0.004346 0.005881 0.006640 2C 2s -0.004302 0.006366 0.000947 -0.013702 0.017766 0.020193 2C 3s 0.014574 0.023851 -0.032725 0.233001 -0.230511 -0.254626 2C 4s 0.115613 -0.309973 0.212591 -0.753129 0.542078 0.475946 2C 5s -0.249722 0.392981 -0.196795 -0.029431 -0.421357 0.058241 2C 1pz 0.032466 -0.025999 0.018264 0.124312 -0.138669 -0.152496 2C 1px 0.063980 -0.030822 0.022899 0.027373 -0.030246 -0.021164 2C 1py 0.042304 -0.004235 -0.021649 0.062801 -0.064432 -0.105646 2C 2pz 0.061043 -0.322978 0.444839 -0.411340 0.548488 0.863331 2C 2px -0.152521 0.284385 -0.322480 0.026334 -0.211650 -0.663683 2C 2py -0.140995 0.389071 -0.330472 -0.770152 0.483813 0.100977 2C 3pz -0.065431 0.051020 -0.108993 -0.087416 0.008756 0.030170 2C 3px -0.174740 0.023523 0.022939 0.028294 0.015421 0.028273 2C 3py -0.073473 0.114922 0.074185 -0.006990 -0.091952 0.095469 2C 1dz2 -0.053577 0.135009 -0.097893 -0.021510 -0.047898 -0.152120 2C 1dxz 0.141815 -0.059687 0.013603 -0.107697 0.116011 0.151615 2C 1dyz 0.062497 -0.017910 -0.019541 0.114433 -0.139015 -0.211009 2C 1dx2y2 -0.016294 0.149722 -0.175056 -0.102783 0.002835 -0.150851 2C 1dxy 0.145674 -0.186426 0.222732 0.124648 -0.070433 0.143622 2C 2dz2 0.093469 -0.274249 0.215637 -0.142426 0.331082 0.528540 2C 2dxz -0.511132 0.313251 -0.213064 -0.091871 0.055469 -0.126922 2C 2dyz -0.076185 0.124192 -0.013433 -0.459455 0.416043 0.418601 2C 2dx2y2 0.158437 -0.167458 0.060190 0.223926 -0.154586 -0.184291 2C 2dxy -0.287698 0.182902 -0.162714 -0.029686 0.022002 -0.139173 2C 1f0 0.184286 -0.130953 0.128465 0.012796 0.076871 0.154014 2C 1f+1 -0.172647 0.245048 -0.193657 -0.167245 0.105610 -0.018010 2C 1f-1 -0.060537 0.090709 -0.035979 -0.193057 0.237118 0.231700 2C 1f+2 -0.002055 0.182175 -0.093089 0.047280 -0.031417 -0.154396 2C 1f-2 -0.163062 0.037563 -0.026074 0.075533 -0.086516 -0.110708 2C 1f+3 -0.181112 -0.051224 0.047615 -0.025328 0.065027 0.156847 2C 1f-3 0.089420 -0.031482 0.094691 -0.034222 0.075449 0.154358 3C 1s -0.000250 -0.004319 -0.002813 0.007670 0.005560 -0.000253 3C 2s -0.001209 -0.010629 -0.007674 0.023216 0.017649 -0.000618 3C 3s 0.042781 0.013328 0.086150 -0.304323 -0.294978 -0.017496 3C 4s -0.323590 0.196752 -0.188999 0.688848 0.944594 0.152785 3C 5s -0.153916 -0.118330 -0.154147 -0.170371 -0.254455 0.117981 3C 1pz 0.011863 0.017622 0.009344 -0.083693 -0.087309 0.005220 3C 1px -0.039970 0.012363 0.053003 -0.058243 -0.049021 -0.007441 3C 1py -0.005719 -0.031258 -0.076374 0.192286 0.139083 0.006359 3C 2pz -0.153513 -0.095351 -0.302331 0.736887 0.683360 0.093537 3C 2px -0.051321 -0.231876 -0.801107 0.092348 -0.297186 0.588471 3C 2py 0.208228 0.023370 -0.079713 -0.617888 -0.843197 0.182391 3C 3pz -0.104519 -0.074834 0.007401 -0.026447 0.050287 -0.003410 3C 3px 0.150368 -0.054394 -0.000783 -0.042924 0.085538 -0.007562 3C 3py 0.022783 -0.023950 0.090672 -0.084664 0.033161 -0.073121 3C 1dz2 0.053125 0.008535 -0.085707 0.039554 -0.034344 0.042353 3C 1dxz 0.004982 0.084918 0.311654 -0.022484 0.165155 -0.226011 3C 1dyz -0.004692 0.003949 -0.022767 0.247246 0.205675 -0.041349 3C 1dx2y2 -0.037562 0.039407 0.173092 -0.007433 0.069575 -0.104623 3C 1dxy 0.109450 -0.053780 -0.105385 -0.024899 -0.015884 0.046217 3C 2dz2 -0.110660 -0.035457 0.065966 -0.046194 0.029915 0.006389 3C 2dxz 0.128515 -0.130711 -0.397402 0.172630 0.077789 0.151017 3C 2dyz 0.180271 0.067849 0.008583 -0.535542 -0.525003 0.059260 3C 2dx2y2 0.092732 -0.025194 -0.118127 -0.434411 -0.446589 0.157370 3C 2dxy -0.201402 0.186834 0.552737 -0.233195 -0.067394 -0.256117 3C 1f0 -0.059146 -0.000953 -0.003264 -0.184039 -0.179436 0.056402 3C 1f+1 -0.056401 0.027375 0.181845 0.000284 0.076292 -0.080597 3C 1f-1 0.010308 -0.011586 0.014258 -0.110639 -0.124231 0.004852 3C 1f+2 0.072487 -0.020307 -0.084189 -0.072501 -0.084847 0.038277 3C 1f-2 -0.109126 -0.078557 0.092818 -0.048377 -0.064144 -0.032205 3C 1f+3 0.053652 -0.154619 -0.338182 0.217862 0.050680 0.127681 3C 1f-3 0.117145 0.025843 -0.100327 -0.238500 -0.210323 0.084237 4C 1s -0.005829 0.003958 -0.001763 -0.006234 0.008376 0.011451 4C 2s -0.017522 0.011220 -0.004576 -0.018656 0.024612 0.032936 4C 3s 0.087964 -0.097575 0.010052 0.126644 -0.126564 -0.184690 4C 4s 0.347924 -0.016543 0.137723 0.220126 -0.460895 -0.489249 4C 5s 0.444930 -0.045059 0.213242 -0.046907 0.128918 0.037430 4C 1pz -0.075793 0.039219 0.000782 -0.079423 0.138352 0.194034 4C 1px -0.088841 0.057479 -0.036677 0.001140 -0.016537 -0.052398 4C 1py -0.107465 0.045127 -0.045265 -0.084714 0.086948 0.096138 4C 2pz -0.098170 -0.036760 -0.006103 -0.660913 0.305181 0.202916 4C 2px 0.745995 -0.425638 0.399498 -0.197953 0.373074 0.302710 4C 2py 0.399930 -0.165729 0.313142 -0.210048 0.293156 0.231756 4C 3pz -0.020632 0.376778 0.020101 0.107095 -0.525783 -0.236995 4C 3px 0.016356 0.095118 -0.023267 0.035737 -0.009082 -0.001748 4C 3py -0.041991 0.050263 -0.040934 0.117689 -0.283864 -0.157201 4C 1dz2 0.102661 0.055291 0.006188 -0.001545 -0.036300 -0.065798 4C 1dxz -0.074893 0.067936 -0.006392 0.045628 -0.066938 -0.082861 4C 1dyz 0.045331 -0.099104 0.039790 0.063808 -0.070599 -0.075881 4C 1dx2y2 0.032083 0.033828 0.018858 -0.028712 0.021413 0.033093 4C 1dxy -0.014464 0.007644 -0.024171 -0.016238 0.002026 -0.097449 4C 2dz2 0.076337 -0.374563 0.145788 0.303983 -0.115506 0.260185 4C 2dxz -0.277814 0.261411 -0.350063 0.091509 -0.044162 -0.472735 4C 2dyz 0.042869 0.202074 -0.160997 0.093754 -0.101922 -0.173027 4C 2dx2y2 -0.049286 -0.035320 -0.035578 -0.230504 0.139580 -0.023914 4C 2dxy -0.237596 0.166609 0.033442 0.126797 -0.155029 -0.123696 4C 1f0 0.048963 -0.159640 0.145217 0.091270 -0.072803 0.105761 4C 1f+1 -0.106341 0.223290 -0.150617 -0.061453 0.088448 -0.055268 4C 1f-1 0.046663 0.025295 -0.111876 0.010620 -0.096548 -0.223968 4C 1f+2 -0.165085 0.059702 -0.131124 -0.115605 0.000132 -0.056439 4C 1f-2 -0.121514 -0.161093 0.109456 0.040768 -0.031996 0.100478 4C 1f+3 -0.089302 0.030484 0.125154 0.203218 -0.131140 0.040627 4C 1f-3 -0.250980 -0.035765 -0.081647 -0.000211 -0.042033 0.047936 5C 1s 0.002884 -0.003228 -0.005441 0.012268 0.007138 -0.000669 5C 2s 0.007873 -0.009578 -0.016200 0.035753 0.021667 -0.001384 5C 3s 0.018867 0.114772 0.098964 -0.198426 -0.129915 -0.024328 5C 4s -0.393929 -0.113098 0.218503 -0.584346 -0.369636 0.157089 5C 5s -0.237848 -0.106966 0.147221 0.045180 0.165645 -0.107549 5C 1pz 0.022921 -0.001197 -0.049493 0.136112 0.092486 -0.002392 5C 1px 0.086954 -0.044117 -0.120227 0.040242 -0.006298 0.050944 5C 1py -0.033962 0.038896 0.055239 -0.179512 -0.116194 0.022854 5C 2pz -0.143164 -0.082061 -0.148655 0.140065 0.239639 0.001273 5C 2px -0.649333 -0.064199 0.672541 0.350683 0.512696 -0.053375 5C 2py 0.282422 -0.038154 0.352250 -0.497996 -0.686274 -0.213495 5C 3pz -0.056641 0.043041 0.030428 -0.263364 -0.228587 0.094579 5C 3px -0.112129 -0.020611 -0.007137 -0.084410 -0.138621 -0.001970 5C 3py 0.258120 0.214586 -0.031529 0.461703 0.292175 -0.137510 5C 1dz2 0.059981 0.061124 0.020228 0.016096 0.018961 -0.054802 5C 1dxz 0.039738 0.030611 -0.027958 -0.033854 -0.074101 0.049494 5C 1dyz 0.040460 -0.067073 -0.072349 0.065930 0.020358 0.017256 5C 1dx2y2 0.052393 0.029792 -0.039400 0.069238 0.042443 0.025773 5C 1dxy -0.047780 0.009898 0.014898 0.102171 0.043585 -0.025075 5C 2dz2 -0.137705 -0.042943 0.023505 0.065914 -0.010709 0.015757 5C 2dxz 0.238796 -0.098754 -0.002546 -0.224621 -0.159483 -0.049863 5C 2dyz 0.063603 0.022164 -0.198857 0.121850 0.073864 0.127181 5C 2dx2y2 -0.148704 -0.245836 -0.339972 0.114691 0.151200 0.264802 5C 2dxy -0.199591 0.176947 0.414210 0.108226 0.514389 -0.363435 5C 1f0 -0.048753 -0.034478 -0.093347 0.211459 0.040737 0.095042 5C 1f+1 0.200184 0.141001 -0.058015 -0.003936 0.070007 -0.074572 5C 1f-1 0.104692 0.094700 0.034523 0.020789 0.133435 -0.041047 5C 1f+2 0.090035 -0.119956 -0.033395 0.032732 0.056548 -0.080735 5C 1f-2 -0.033446 0.010093 -0.200248 0.037064 -0.050441 0.119381 5C 1f+3 0.099409 -0.036600 -0.266202 0.015362 -0.151288 0.125758 5C 1f-3 0.032484 0.030158 -0.082806 0.027510 0.039634 0.053907 6C 1s -0.004413 -0.000539 0.005488 -0.012358 -0.007196 0.000588 6C 2s -0.012559 -0.002057 0.016327 -0.035988 -0.021830 0.001157 6C 3s 0.061866 0.098241 -0.099244 0.200042 0.130677 0.024464 6C 4s 0.235029 -0.342680 -0.224083 0.582825 0.369130 -0.145097 6C 5s 0.119551 -0.225667 -0.156816 -0.055954 -0.167548 0.119409 6C 1pz 0.019422 -0.014430 -0.050329 0.136445 0.092639 -0.000964 6C 1px 0.094410 -0.020025 -0.117373 0.038660 -0.006894 0.052310 6C 1py -0.054358 -0.007221 0.056133 -0.180408 -0.116836 0.021588 6C 2pz -0.052917 0.150412 -0.146128 0.142202 0.238498 -0.001347 6C 2px -0.488925 0.462163 0.653511 0.358468 0.519436 -0.064764 6C 2py 0.256016 -0.146171 0.350934 -0.498532 -0.683675 -0.213692 6C 3pz -0.067888 0.009955 0.039692 -0.262722 -0.233683 0.089556 6C 3px -0.067651 0.086659 -0.000080 -0.085376 -0.143139 -0.001478 6C 3py 0.048688 -0.335138 -0.046395 0.459811 0.301873 -0.130092 6C 1dz2 -0.008244 0.085359 -0.020230 -0.016567 -0.019979 0.055478 6C 1dxz -0.010660 0.049362 0.026876 0.033918 0.074281 -0.049494 6C 1dyz -0.077373 -0.025292 0.072131 -0.066634 -0.019790 -0.019016 6C 1dx2y2 -0.019865 0.056239 0.039497 -0.068520 -0.042859 -0.026810 6C 1dxy 0.043184 -0.021620 -0.014575 -0.102686 -0.044350 0.025350 6C 2dz2 0.081378 -0.121269 -0.017279 -0.066861 0.011614 -0.020009 6C 2dxz -0.254411 0.071674 -0.005373 0.228546 0.158757 0.050695 6C 2dyz -0.026177 0.058738 0.193294 -0.118659 -0.074503 -0.127287 6C 2dx2y2 -0.038440 -0.282229 0.329934 -0.112666 -0.148445 -0.263876 6C 2dxy 0.257660 0.010267 -0.396958 -0.118801 -0.515235 0.369150 6C 1f0 -0.024267 0.056976 -0.094393 0.211112 0.041435 0.098084 6C 1f+1 0.070894 -0.237047 -0.056235 -0.004320 0.070067 -0.074437 6C 1f-1 0.022152 -0.138700 0.033854 0.020881 0.134393 -0.042467 6C 1f+2 0.156800 0.034916 -0.033029 0.035054 0.056649 -0.081431 6C 1f-2 -0.035212 0.011577 -0.196399 0.034088 -0.052349 0.123156 6C 1f+3 0.098780 -0.034644 -0.261398 0.013676 -0.152512 0.130549 6C 1f-3 0.002757 -0.043863 -0.081786 0.027246 0.039300 0.054409 7C 1s 0.007200 -0.000700 0.001838 0.006513 -0.008244 -0.011426 7C 2s 0.021175 -0.002633 0.004792 0.019444 -0.024256 -0.032868 7C 3s -0.132937 -0.013759 -0.013111 -0.131309 0.125395 0.186560 7C 4s -0.287692 0.189964 -0.130500 -0.227918 0.454234 0.477133 7C 5s -0.379524 0.233798 -0.207534 0.048140 -0.133647 -0.046517 7C 1pz -0.088910 0.019015 -0.001167 -0.083766 0.136975 0.193245 7C 1px -0.100379 0.009400 -0.032130 0.003125 -0.017985 -0.051270 7C 1py -0.109587 0.030849 -0.044219 -0.087444 0.085203 0.095096 7C 2pz -0.033951 0.097517 -0.006088 -0.648211 0.312783 0.200149 7C 2px 0.837226 -0.117270 0.390288 -0.196057 0.379257 0.288786 7C 2py 0.397735 -0.097164 0.306471 -0.201458 0.307769 0.236256 7C 3pz -0.257019 -0.272444 0.002329 0.102123 -0.517645 -0.225498 7C 3px -0.049994 -0.080989 -0.024148 0.033442 -0.006420 0.002237 7C 3py -0.062353 -0.010576 -0.052556 0.114850 -0.281054 -0.149857 7C 1dz2 -0.043927 0.108067 -0.006370 0.001685 0.034051 0.066179 7C 1dxz 0.101970 0.007465 0.005925 -0.046026 0.066775 0.081151 7C 1dyz -0.098843 -0.048801 -0.039590 -0.067676 0.069587 0.076217 7C 1dx2y2 -0.002612 0.045922 -0.019361 0.029201 -0.022616 -0.032729 7C 1dxy 0.013040 -0.001795 0.022585 0.015195 -0.002223 0.096653 7C 2dz2 -0.277131 -0.246943 -0.129588 -0.296306 0.117494 -0.259445 7C 2dxz 0.346343 0.041910 0.318919 -0.099231 0.054348 0.466275 7C 2dyz 0.089180 0.192553 0.156464 -0.086228 0.105201 0.172491 7C 2dx2y2 0.007840 -0.067083 0.034543 0.225691 -0.144773 0.019912 7C 2dxy 0.281075 -0.024144 -0.043967 -0.138550 0.160586 0.115858 7C 1f0 0.129892 0.099330 0.140519 0.093612 -0.074760 0.106990 7C 1f+1 -0.220063 -0.116834 -0.146204 -0.067973 0.088697 -0.057340 7C 1f-1 0.030931 -0.054998 -0.106472 0.012892 -0.096404 -0.223677 7C 1f+2 -0.154154 0.051921 -0.127547 -0.116358 -0.000430 -0.056065 7C 1f-2 0.005389 0.203427 0.104365 0.041038 -0.032979 0.099105 7C 1f+3 -0.104633 0.037493 0.119647 0.205829 -0.130128 0.046176 7C 1f-3 -0.165297 0.180566 -0.080246 0.000167 -0.047468 0.048361 8C 1s -0.002640 -0.003372 0.002854 -0.007720 -0.005562 0.000190 8C 2s -0.005986 -0.008657 0.007786 -0.023357 -0.017670 0.000453 8C 3s -0.027733 0.036386 -0.086812 0.305684 0.295437 0.017810 8C 4s 0.396226 -0.055315 0.189806 -0.691913 -0.944317 -0.147782 8C 5s 0.027830 -0.195887 0.143318 0.171138 0.263970 -0.117107 8C 1pz -0.002722 -0.020451 0.009883 -0.084004 -0.087764 0.005259 8C 1px -0.040781 0.016384 0.052669 -0.058564 -0.049016 -0.008236 8C 1py 0.014624 0.026681 -0.076906 0.192799 0.139178 0.007488 8C 2pz -0.065118 0.170872 -0.311322 0.742273 0.679505 0.101985 8C 2px 0.090143 0.205987 -0.772654 0.073761 -0.303398 0.596627 8C 2py 0.144240 -0.141883 -0.068366 -0.628358 -0.847651 0.188559 8C 3pz -0.027563 0.122737 0.009383 -0.026706 0.049693 -0.005628 8C 3px 0.157305 -0.049913 -0.002857 -0.040403 0.084233 -0.007697 8C 3py 0.032546 0.001703 0.087519 -0.083253 0.035687 -0.074867 8C 1dz2 -0.034218 0.040820 0.080786 -0.038888 0.032101 -0.041055 8C 1dxz 0.042700 0.067222 -0.303542 0.018093 -0.167032 0.230615 8C 1dyz 0.006925 -0.000302 0.025656 -0.249722 -0.206771 0.040671 8C 1dx2y2 0.049794 0.006896 -0.167618 0.005673 -0.070387 0.106091 8C 1dxy -0.121870 0.027724 0.101454 0.027839 0.017059 -0.046547 8C 2dz2 0.062653 -0.098970 -0.061082 0.045171 -0.028683 -0.007673 8C 2dxz -0.185409 -0.016233 0.388911 -0.170851 -0.076124 -0.154309 8C 2dyz -0.099862 0.163819 -0.017505 0.540065 0.525989 -0.057357 8C 2dx2y2 -0.084141 0.036073 0.107670 0.439969 0.448876 -0.158888 8C 2dxy 0.276718 0.013011 -0.540798 0.228033 0.065581 0.262032 8C 1f0 -0.051373 0.040529 0.001389 -0.185415 -0.180642 0.055936 8C 1f+1 -0.056903 0.015660 0.176383 0.004889 0.079243 -0.083560 8C 1f-1 0.017906 0.003429 0.014894 -0.110575 -0.125346 0.004849 8C 1f+2 0.072840 -0.033790 -0.082122 -0.074396 -0.086506 0.040134 8C 1f-2 -0.036011 0.131645 0.088950 -0.045051 -0.063063 -0.032790 8C 1f+3 0.140014 0.083821 -0.333403 0.218585 0.050186 0.132585 8C 1f-3 0.077147 -0.091704 -0.094826 -0.240544 -0.210529 0.084726 9C 1s 0.003404 0.000747 -0.000083 0.004509 -0.005869 -0.006643 9C 2s 0.007650 0.001556 -0.000786 0.014117 -0.017745 -0.020166 9C 3s 0.003792 0.031273 0.031986 -0.233147 0.232230 0.252549 9C 4s -0.292331 -0.173827 -0.210697 0.735442 -0.556973 -0.467853 9C 5s 0.447987 0.143128 0.215309 0.040780 0.420258 -0.067654 9C 1pz 0.041241 -0.001461 0.018551 0.126132 -0.138092 -0.150743 9C 1px 0.068770 -0.014800 0.023201 0.028272 -0.029775 -0.021196 9C 1py 0.038576 -0.026129 -0.020595 0.064268 -0.064875 -0.106582 9C 2pz 0.213022 0.248592 0.421524 -0.410270 0.561084 0.864904 9C 2px -0.255035 -0.120350 -0.280137 0.058235 -0.223225 -0.643298 9C 2py -0.317933 -0.228002 -0.317174 -0.773422 0.482733 0.084439 9C 3pz -0.077468 0.000377 -0.110149 -0.088724 0.009105 0.030338 9C 3px -0.153578 0.088963 0.015971 0.022502 0.017237 0.024524 9C 3py -0.138954 -0.037486 0.069638 -0.007465 -0.090551 0.098800 9C 1dz2 0.116151 0.077468 0.091845 0.020289 0.049360 0.152921 9C 1dxz -0.145349 0.046794 -0.005904 0.116238 -0.119545 -0.146038 9C 1dyz -0.063075 0.025287 0.016886 -0.118031 0.137834 0.207857 9C 1dx2y2 0.092665 0.114297 0.168795 0.104061 -0.003149 0.152807 9C 1dxy -0.208463 -0.062126 -0.207756 -0.123214 0.068213 -0.140655 9C 2dz2 -0.223885 -0.172019 -0.200353 0.143733 -0.332532 -0.523914 9C 2dxz 0.579701 -0.074764 0.196301 0.084749 -0.048773 0.119655 9C 2dyz 0.137851 0.041922 0.014278 0.465904 -0.418022 -0.415291 9C 2dx2y2 -0.228211 -0.032698 -0.060963 -0.229680 0.156449 0.181776 9C 2dxy 0.321260 -0.035250 0.148819 0.023077 -0.017804 0.133979 9C 1f0 0.213953 -0.006114 0.121040 0.013731 0.077035 0.148931 9C 1f+1 -0.271731 -0.088825 -0.186166 -0.169651 0.102973 -0.018737 9C 1f-1 -0.104323 -0.034257 -0.035607 -0.199149 0.238768 0.229779 9C 1f+2 -0.114775 -0.144770 -0.089505 0.044927 -0.028660 -0.151257 9C 1f-2 -0.155141 0.067876 -0.024765 0.079014 -0.086603 -0.106298 9C 1f+3 -0.118323 0.163693 0.042523 -0.024634 0.059635 0.156189 9C 1f-3 0.074256 -0.022154 0.089356 -0.038884 0.079914 0.159709 10H 1s -0.173170 0.124076 -0.078797 -0.037137 0.042997 0.010417 10H 2s -0.126839 -0.046749 0.206068 -0.104692 0.253671 0.529092 10H 3s 0.064976 0.021214 -0.070266 0.000270 -0.037099 -0.189930 10H 1pz -0.062991 -0.004125 0.041704 -0.084890 0.128561 0.229996 10H 1px -0.026611 0.064278 -0.112108 -0.004091 -0.069941 -0.176624 10H 1py -0.011313 -0.049469 0.102983 0.017082 0.039048 0.149925 11H 1s 0.015796 0.068619 -0.050817 -0.103402 0.074310 0.066660 11H 2s 0.092724 -0.173640 0.258054 0.340522 -0.181524 -0.065294 11H 3s -0.042499 0.018355 -0.090126 -0.099317 0.118787 -0.024902 11H 1pz -0.014020 -0.071651 0.110312 0.153023 -0.078676 -0.006948 11H 1px 0.046494 -0.114725 0.124979 0.122245 -0.087114 0.006609 11H 1py -0.055438 -0.073809 0.010542 -0.040667 0.065226 0.105681 12H 1s 0.026600 -0.088954 0.077915 -0.005409 0.052608 0.132527 12H 2s -0.020318 0.418555 -0.408583 -0.275819 0.087770 -0.395488 12H 3s -0.019083 -0.118221 0.213551 0.123298 -0.027215 0.156208 12H 1pz -0.033078 0.126753 -0.068662 -0.086154 0.073387 0.028594 12H 1px 0.046861 0.112085 -0.098416 -0.079613 0.047461 -0.073283 12H 1py -0.065629 0.252629 -0.267647 -0.152927 0.040169 -0.226190 13H 1s 0.083043 -0.060754 -0.162147 0.059438 0.005465 0.040630 13H 2s 0.074581 -0.030914 0.148088 0.268811 0.401151 -0.245527 13H 3s -0.065153 -0.008124 -0.069905 -0.047244 -0.115791 0.097517 13H 1pz 0.025844 0.003986 0.150036 0.092837 0.183576 -0.146293 13H 1px -0.008258 -0.007523 -0.053846 -0.039299 -0.077899 0.068426 13H 1py -0.030432 0.009238 0.005916 -0.144554 -0.146190 0.059194 14H 1s -0.021444 0.020518 0.088131 0.083677 0.093791 -0.061099 14H 2s -0.087963 -0.230936 -0.483322 0.121513 -0.218239 0.367728 14H 3s 0.070712 0.024473 0.195001 -0.065769 0.149855 -0.149396 14H 1pz 0.004094 -0.072493 -0.229898 0.033740 -0.098569 0.145842 14H 1px -0.056864 -0.105179 -0.231828 0.066459 -0.115952 0.174094 14H 1py 0.015454 0.082387 0.102431 -0.097603 -0.027801 -0.043414 15H 1s -0.038858 -0.047472 -0.059194 0.105703 0.066434 0.019631 15H 2s -0.023939 -0.056061 0.255035 -0.243529 -0.106589 -0.149979 15H 3s 0.045989 0.030927 -0.074897 0.095549 0.012737 0.073572 15H 1pz 0.054506 0.046799 -0.066128 0.116033 0.063629 0.016760 15H 1px 0.014780 0.048657 0.095153 -0.020008 0.038247 -0.059786 15H 1py -0.016250 0.014546 -0.116074 0.117147 0.047357 0.068042 16H 1s -0.146553 0.075719 0.022021 0.077638 0.119387 0.002682 16H 2s -0.113827 0.163611 -0.009231 0.155486 0.240988 -0.078159 16H 3s 0.058471 -0.049922 -0.010748 -0.011342 -0.090094 -0.019672 16H 1pz -0.161204 0.133087 0.001992 0.116826 0.180677 -0.024901 16H 1px 0.005760 0.004945 0.003803 -0.012591 0.002108 0.004335 16H 1py -0.097131 0.041613 0.012671 0.044204 0.083535 0.013233 17H 1s -0.014497 -0.010698 -0.014807 -0.002873 -0.111682 0.019301 17H 2s 0.046736 0.079024 -0.042623 0.019543 -0.111036 -0.130477 17H 3s 0.017934 0.026301 -0.020037 0.028242 0.099201 0.018323 17H 1pz 0.016789 -0.030398 0.011857 -0.008884 0.071194 0.035493 17H 1px 0.001349 -0.031579 0.026208 -0.006298 0.069030 0.024620 17H 1py -0.016669 -0.005320 -0.010868 -0.013933 -0.103416 -0.001585 18H 1s 0.005249 -0.008986 0.011174 0.000095 0.108136 -0.009075 18H 2s 0.010173 0.111889 0.037647 -0.020833 0.105322 0.148111 18H 3s 0.000557 0.026460 0.023326 -0.026469 -0.097735 -0.024787 18H 1pz 0.032452 0.023215 0.008756 -0.010836 0.071197 0.044208 18H 1px 0.019504 0.034081 0.023635 -0.007332 0.066077 0.033792 18H 1py -0.009022 0.006287 -0.007499 -0.012803 -0.098139 -0.010260 19H 1s 0.159304 -0.029263 -0.019718 -0.076072 -0.115724 -0.012818 19H 2s 0.187668 0.057505 0.013591 -0.154801 -0.229102 0.057546 19H 3s -0.077973 -0.000435 0.006017 0.008491 0.087182 0.026057 19H 1pz -0.204110 -0.007597 -0.001246 0.114659 0.171630 -0.010561 19H 1px 0.002510 -0.008397 0.003063 -0.014084 0.001565 0.002803 19H 1py -0.105710 0.027883 0.010444 0.045695 0.083491 0.020954 20H 1s 0.001201 -0.060331 0.059791 -0.106623 -0.066050 -0.021009 20H 2s -0.024752 -0.053767 -0.252866 0.243558 0.104699 0.154708 20H 3s -0.012129 0.051572 0.075129 -0.095324 -0.012196 -0.076792 20H 1pz 0.010625 -0.069845 -0.064843 0.116021 0.064556 0.017142 20H 1px -0.017351 -0.047409 0.093578 -0.020291 0.038727 -0.061375 20H 1py -0.027624 0.001250 -0.115415 0.117362 0.046159 0.070588 21H 1s 0.026736 0.003382 -0.083810 -0.084793 -0.094463 0.061590 21H 2s -0.064847 -0.231008 0.470866 -0.112756 0.222732 -0.377218 21H 3s -0.046506 0.062374 -0.189123 0.062216 -0.151220 0.152844 21H 1pz 0.044421 0.052415 -0.224583 0.030160 -0.100691 0.150243 21H 1px 0.015153 0.116050 -0.225183 0.062883 -0.117391 0.177743 21H 1py -0.039250 -0.073278 0.101188 -0.097014 -0.027132 -0.045162 22H 1s -0.105290 0.006963 0.158602 -0.058241 -0.005053 -0.042191 22H 2s -0.091128 0.025326 -0.134493 -0.280347 -0.403176 0.246232 22H 3s 0.050150 -0.045785 0.064383 0.051496 0.115945 -0.097589 22H 1pz 0.025003 -0.019420 0.142122 0.097360 0.183872 -0.147057 22H 1px -0.002566 0.010851 -0.051855 -0.042235 -0.079137 0.069574 22H 1py -0.033086 0.013324 0.009772 -0.148561 -0.147022 0.058482 23H 1s -0.066387 -0.059093 -0.072185 0.006320 -0.052275 -0.132279 23H 2s 0.237923 0.326707 0.385941 0.275983 -0.082080 0.400381 23H 3s -0.042166 -0.110472 -0.204872 -0.123631 0.024811 -0.156465 23H 1pz -0.101165 -0.080408 -0.064955 -0.088213 0.072733 0.027362 23H 1px -0.024556 -0.119654 -0.092008 -0.079673 0.046886 -0.072460 23H 1py -0.184085 -0.166355 -0.254047 -0.153525 0.037283 -0.228834 24H 1s 0.027911 0.064743 0.050805 0.106775 -0.074821 -0.065595 24H 2s -0.160809 -0.103593 -0.255714 -0.351380 0.181499 0.051431 24H 3s 0.036452 -0.003541 0.088752 0.103746 -0.120088 0.031148 24H 1pz 0.023180 0.076178 0.109648 0.157966 -0.079226 -0.000118 24H 1px 0.098366 0.070398 0.122029 0.127076 -0.087966 0.010048 24H 1py 0.004414 0.092225 0.010215 -0.040752 0.063178 0.104557 25H 1s 0.208601 -0.010892 0.074125 0.037623 -0.041104 -0.012099 25H 2s 0.100147 -0.123292 -0.181488 0.122794 -0.259081 -0.521741 25H 3s -0.049750 0.058188 0.058412 -0.009198 0.039010 0.186001 25H 1pz -0.055184 0.043486 0.032317 -0.093845 0.130667 0.227092 25H 1px -0.049425 -0.036800 -0.103139 0.001178 -0.072134 -0.173953 25H 1py 0.007436 0.050043 0.093714 0.014080 0.039175 0.147657 26O 1s 0.009476 -0.001392 0.000009 -0.002635 0.001164 0.004549 26O 2s 0.031372 -0.003932 -0.001023 -0.007889 0.003204 0.015921 26O 3s -0.195152 0.007114 0.048032 0.036415 -0.002432 -0.135449 26O 4s 0.306827 -0.031859 -0.210631 0.035267 -0.092519 0.363045 26O 5s -0.972929 0.061391 -0.039162 0.295620 -0.022446 -0.275085 26O 1pz -0.067488 0.043336 -0.070486 -0.019488 -0.016738 -0.094324 26O 1px 0.051019 -0.039869 0.013948 -0.037344 0.031872 0.036625 26O 1py -0.018111 0.010690 0.033864 0.072429 -0.038390 0.018344 26O 2pz 0.299493 -0.169333 0.274187 0.067877 0.041144 0.259808 26O 2px 0.075721 0.044333 0.125756 0.024556 -0.006703 -0.130282 26O 2py 0.148386 -0.085363 -0.056339 -0.260135 0.151319 -0.074115 26O 3pz -0.400679 0.029329 0.032284 0.012686 0.065351 -0.043633 26O 3px 0.106664 -0.053085 0.011784 -0.125610 0.054525 0.122415 26O 3py -0.095178 0.133989 -0.034522 -0.088940 0.171531 -0.105344 26O 1dz2 -0.008452 -0.001489 -0.001894 0.004583 -0.008786 0.007203 26O 1dxz 0.016290 -0.011267 0.005528 0.004348 -0.007367 0.008073 26O 1dyz 0.005358 -0.000714 -0.000860 -0.001942 -0.000635 -0.005361 26O 1dx2y2 -0.008564 -0.005352 0.012046 0.007530 -0.005822 0.004594 26O 1dxy 0.005633 -0.000884 -0.003153 -0.005163 0.002819 -0.004185 26O 2dz2 -0.096607 -0.017501 -0.002232 0.008712 -0.033612 -0.029504 26O 2dxz -0.177632 0.068356 -0.142930 -0.027682 -0.034531 -0.104605 26O 2dyz -0.136527 0.110676 -0.083064 -0.011619 -0.005785 -0.135452 26O 2dx2y2 -0.041388 -0.051193 -0.079896 -0.092945 0.035027 0.052535 26O 2dxy -0.064915 0.042179 0.068855 0.138018 -0.074379 0.044606 26O 1f0 0.004185 -0.024154 0.025544 -0.001845 0.004260 0.025974 26O 1f+1 -0.044581 0.002255 -0.006449 0.008425 -0.008928 -0.011952 26O 1f-1 -0.008904 -0.002984 0.002490 0.004386 -0.003162 -0.014755 26O 1f+2 0.015936 -0.023648 0.011548 0.008133 -0.011313 -0.003888 26O 1f-2 -0.028718 0.023778 -0.018079 -0.005467 -0.012487 -0.032086 26O 1f+3 -0.006195 -0.004072 0.012418 0.032803 -0.027064 -0.017102 26O 1f-3 -0.016968 0.024701 -0.025527 -0.007525 0.000381 -0.021555 27O 1s -0.011156 0.003229 0.002288 0.001823 0.002911 -0.002124 27O 2s -0.037091 0.011915 0.007341 0.005364 0.008437 -0.008174 27O 3s 0.245568 -0.119662 -0.023270 -0.026978 -0.027899 0.088169 27O 4s -0.382732 0.384485 0.013754 0.004603 -0.070735 -0.322471 27O 5s 1.250525 -0.169551 -0.161683 -0.137362 -0.118831 0.053044 27O 1pz 0.055147 -0.020735 -0.006930 -0.064527 -0.025035 -0.042238 27O 1px -0.028189 -0.006077 0.056022 0.002852 0.028634 -0.048920 27O 1py -0.038032 -0.002969 0.072974 0.014444 0.072734 -0.067616 27O 2pz -0.157433 0.098421 -0.001080 0.181247 0.057661 0.129588 27O 2px -0.132232 -0.087904 -0.013413 0.032627 0.042733 0.228451 27O 2py 0.215275 0.033217 -0.334614 -0.020503 -0.230728 0.182912 27O 3pz 0.159725 -0.167597 -0.124650 0.065168 -0.046778 0.105619 27O 3px -0.279687 -0.051973 -0.088486 0.120920 0.128416 0.079858 27O 3py -0.366544 0.051629 0.180047 -0.030000 -0.111460 -0.095908 27O 1dz2 -0.004397 -0.004747 -0.000525 0.005082 -0.007723 0.002840 27O 1dxz -0.011759 0.001528 -0.002814 0.008871 -0.006344 0.005043 27O 1dyz -0.001603 0.002376 0.005567 -0.003406 0.003995 -0.004243 27O 1dx2y2 -0.005892 -0.005879 0.002909 0.004693 -0.000793 0.011558 27O 1dxy 0.013456 -0.003194 -0.013318 0.003082 -0.002716 0.004221 27O 2dz2 -0.103966 -0.052159 0.023254 0.041363 -0.024967 0.060559 27O 2dxz 0.059128 -0.074811 0.067775 -0.110978 -0.038422 -0.065636 27O 2dyz -0.055633 0.065533 0.043062 0.025476 0.032746 -0.041874 27O 2dx2y2 -0.053428 -0.001509 0.103999 0.023959 0.000463 -0.087114 27O 2dxy -0.136685 -0.025198 0.208154 0.030818 0.108182 -0.110372 27O 1f0 -0.007905 -0.001661 -0.021467 0.033061 0.012035 0.006219 27O 1f+1 0.006112 -0.009784 -0.027259 -0.005363 -0.016654 0.016792 27O 1f-1 0.002962 0.005691 0.004153 -0.001847 0.005502 0.004060 27O 1f+2 0.008554 0.003847 0.007825 -0.019345 -0.009466 -0.014185 27O 1f-2 -0.016937 0.013598 0.039857 0.002606 0.007410 -0.017107 27O 1f+3 0.032807 0.004277 -0.030582 -0.014233 -0.019954 0.018222 27O 1f-3 -0.006742 -0.009577 -0.015196 -0.015133 -0.022394 0.009816 28O 1s -0.004314 0.001805 0.003164 -0.000752 -0.000413 -0.004969 28O 2s -0.015869 0.006770 0.010880 -0.001676 -0.001804 -0.017527 28O 3s 0.134468 -0.060391 -0.093581 -0.006567 0.004143 0.140642 28O 4s -0.366756 0.207653 0.178896 0.103680 0.038010 -0.355442 28O 5s 0.629245 -0.319917 -0.328295 0.124434 0.144530 0.343289 28O 1pz 0.104770 -0.084512 0.044798 0.031561 -0.054703 0.018633 28O 1px 0.041109 -0.053584 0.040127 0.012546 0.000177 0.074222 28O 1py 0.136796 -0.024242 -0.003401 -0.001081 0.031728 -0.043912 28O 2pz -0.309561 0.301439 -0.184749 -0.132990 0.066253 -0.115582 28O 2px -0.143656 0.220115 -0.119861 0.016391 0.056004 -0.219522 28O 2py -0.431047 0.002957 0.018615 0.017615 -0.118356 0.113349 28O 3pz 0.513393 -0.281074 0.066364 -0.266430 0.106622 0.269408 28O 3px 0.091225 -0.116657 -0.151248 0.054954 0.009666 0.033246 28O 3py 0.369544 -0.011963 0.087572 -0.023348 0.025212 0.247068 28O 1dz2 -0.004351 0.002988 -0.004029 -0.005172 0.005437 -0.013678 28O 1dxz -0.003101 -0.006910 0.002193 -0.000408 0.004205 -0.001096 28O 1dyz -0.002810 0.001102 0.003243 0.005774 -0.001510 0.003900 28O 1dx2y2 0.012715 -0.015317 -0.001553 -0.005111 0.001058 -0.002850 28O 1dxy 0.014018 0.005032 -0.001012 -0.004268 0.000475 -0.003186 28O 2dz2 0.151434 -0.251086 0.096333 0.005082 -0.019694 0.059755 28O 2dxz 0.039122 0.002208 -0.032538 -0.077733 0.044300 -0.001010 28O 2dyz 0.245488 0.009463 0.011295 -0.007130 0.029757 0.022091 28O 2dx2y2 -0.118589 0.081311 -0.093384 -0.046126 0.051880 -0.080776 28O 2dxy -0.112789 -0.100049 0.072458 0.008151 -0.031094 0.118465 28O 1f0 0.016532 0.005014 -0.014095 -0.019149 0.008171 0.005568 28O 1f+1 -0.009004 0.019410 -0.012441 -0.021011 0.021966 0.018571 28O 1f-1 0.028599 -0.012591 0.011385 -0.004886 0.002907 0.014463 28O 1f+2 -0.033414 0.024104 -0.014221 -0.008881 -0.008083 -0.011035 28O 1f-2 -0.030009 0.009015 -0.011647 0.000176 -0.007742 0.000852 28O 1f+3 -0.021109 0.022138 -0.023199 -0.021474 0.019694 0.002118 28O 1f-3 0.004065 -0.023391 0.028225 -0.006804 0.020952 0.050279 29O 1s 0.009418 -0.003214 0.000499 -0.001466 0.000510 -0.002385 29O 2s 0.035521 -0.013160 0.001883 -0.006607 0.001083 -0.007962 29O 3s -0.342034 0.148774 -0.021749 0.084103 0.005042 0.054940 29O 4s 0.746619 -0.344471 0.071585 -0.187203 -0.020569 -0.101971 29O 5s -0.542673 0.058050 -0.104124 -0.066323 -0.126913 0.267671 29O 1pz 0.056190 -0.035892 -0.012281 -0.039910 -0.078236 0.011696 29O 1px -0.000683 0.001652 0.000153 0.002922 -0.020404 -0.006418 29O 1py 0.029130 -0.030068 0.008238 -0.037912 -0.004422 0.009131 29O 2pz -0.238305 0.159854 0.041068 0.173643 0.382062 -0.017351 29O 2px 0.009239 -0.022178 0.013200 -0.009093 0.105400 0.040381 29O 2py -0.136730 0.123763 -0.025214 0.113413 0.012148 -0.037928 29O 3pz -0.011063 -0.014782 -0.015542 -0.012427 -0.082634 0.001985 29O 3px 0.107988 -0.057136 0.070315 -0.013958 -0.016981 -0.031801 29O 3py 0.101557 0.012486 -0.005955 0.026970 0.044866 -0.088541 29O 1dz2 -0.000157 0.005730 -0.001065 -0.001264 -0.000404 -0.007226 29O 1dxz 0.001417 0.004238 -0.002308 -0.003190 0.008678 0.001967 29O 1dyz -0.003851 0.002308 -0.001023 0.007266 0.007989 0.001225 29O 1dx2y2 0.002311 0.007656 -0.001427 0.003416 0.008735 -0.002832 29O 1dxy -0.002510 -0.001690 0.003554 -0.008514 0.001492 0.004389 29O 2dz2 0.113481 -0.058818 -0.007947 -0.068729 -0.115305 -0.014623 29O 2dxz -0.003485 0.015179 0.014151 0.003084 0.115232 0.015798 29O 2dyz 0.082664 -0.054607 -0.020897 -0.049266 -0.142905 0.003009 29O 2dx2y2 -0.017496 0.042316 -0.010844 0.029161 0.053830 -0.013685 29O 2dxy -0.021486 0.015631 -0.003506 -0.017195 -0.054768 -0.004476 29O 1f0 0.016777 -0.010460 -0.001348 -0.005652 -0.012945 -0.001247 29O 1f+1 0.000515 -0.000770 -0.000542 -0.004666 -0.016539 -0.004997 29O 1f-1 0.024926 -0.011057 -0.003623 -0.016439 -0.017373 -0.002133 29O 1f+2 -0.007952 0.005106 -0.001010 -0.000335 0.011128 0.003457 29O 1f-2 -0.006932 0.008354 0.001273 0.012123 0.027805 -0.004791 29O 1f+3 -0.005087 -0.004865 -0.000941 -0.000802 -0.014075 0.001674 29O 1f-3 0.004774 -0.000511 -0.006220 0.012125 -0.011266 -0.001829 30O 1s 0.002717 -0.005808 -0.002172 -0.001657 0.000215 0.005325 30O 2s 0.010689 -0.020588 -0.007138 -0.005966 -0.000368 0.018506 30O 3s -0.114214 0.178806 0.035402 0.041854 0.022000 -0.151492 30O 4s 0.406724 -0.448861 -0.054514 -0.083797 -0.163060 0.383412 30O 5s -0.274089 0.543299 0.297255 0.208541 -0.110940 -0.555008 30O 1pz -0.070622 -0.008543 0.036119 0.004405 -0.062435 0.026314 30O 1px -0.051274 0.015306 0.087813 0.012231 0.012425 -0.035782 30O 1py 0.033203 -0.036871 -0.092001 0.046906 -0.039822 0.049139 30O 2pz 0.177780 0.105982 -0.132276 -0.041727 0.201844 -0.082053 30O 2px 0.252510 -0.079069 -0.206818 -0.014135 -0.091355 0.108003 30O 2py -0.038646 0.129183 0.370468 -0.071647 0.118136 -0.158222 30O 3pz -0.204612 -0.072447 0.154636 0.097863 0.229658 -0.218741 30O 3px -0.167094 0.127920 0.105741 0.026668 -0.050886 -0.148452 30O 3py 0.327595 -0.211093 -0.197398 -0.243758 -0.236565 0.158993 30O 1dz2 0.013537 -0.004882 -0.002941 -0.002935 0.008635 -0.010432 30O 1dxz 0.001341 -0.009515 -0.001682 -0.002083 0.001026 0.000882 30O 1dyz -0.002018 0.005262 0.000883 0.005098 -0.002103 0.004544 30O 1dx2y2 -0.013555 0.000755 0.005563 -0.000558 0.006212 -0.009632 30O 1dxy -0.000911 -0.005755 -0.004578 -0.001604 -0.001742 0.000322 30O 2dz2 -0.076290 -0.138348 -0.018510 -0.031470 -0.071401 0.010001 30O 2dxz -0.003896 0.075694 0.095316 -0.025671 0.119963 -0.099364 30O 2dyz 0.127862 0.016909 -0.147285 0.011014 -0.008921 0.074699 30O 2dx2y2 0.132459 -0.106304 -0.185051 0.004597 -0.013460 0.038767 30O 2dxy 0.119377 0.026325 0.025309 -0.054027 0.009936 -0.017950 30O 1f0 0.007052 0.008623 0.022114 -0.011849 -0.002662 -0.007637 30O 1f+1 0.003907 0.004982 0.017818 0.025210 0.035237 -0.018699 30O 1f-1 0.015938 -0.005716 -0.041311 0.000844 0.000067 0.014083 30O 1f+2 0.023906 -0.012825 -0.043146 0.016283 -0.006929 0.019576 30O 1f-2 -0.000206 -0.003413 -0.001753 -0.007014 0.003580 0.007935 30O 1f+3 -0.002288 -0.011234 -0.008947 0.026715 0.023085 -0.003875 30O 1f-3 0.027240 0.002835 -0.012628 -0.021527 -0.013669 0.004275 31O 1s -0.005428 -0.002969 0.002094 0.001695 -0.000145 -0.005321 31O 2s -0.020073 -0.009872 0.006867 0.006088 0.000589 -0.018473 31O 3s 0.190567 0.072553 -0.033506 -0.042680 -0.023094 0.150878 31O 4s -0.571645 -0.107364 0.048051 0.087163 0.162296 -0.380839 31O 5s 0.539335 0.269854 -0.283494 -0.205805 0.104684 0.542850 31O 1pz -0.051703 0.051252 0.035496 0.004403 -0.061887 0.025923 31O 1px -0.051480 0.022036 0.085970 0.012581 0.012822 -0.037214 31O 1py 0.051935 0.006649 -0.090472 0.046520 -0.040466 0.051405 31O 2pz 0.079555 -0.195378 -0.129541 -0.042263 0.199370 -0.081594 31O 2px 0.248077 -0.100109 -0.200955 -0.015709 -0.090687 0.111158 31O 2py -0.121788 -0.072200 0.363137 -0.069900 0.121842 -0.164298 31O 3pz -0.106510 0.184290 0.156232 0.105089 0.232764 -0.226511 31O 3px -0.211031 0.000140 0.102790 0.023629 -0.050603 -0.146579 31O 3py 0.395130 -0.041773 -0.191688 -0.249029 -0.240557 0.164600 31O 1dz2 -0.013973 0.004743 0.002992 0.002816 -0.008595 0.010497 31O 1dxz -0.007376 -0.006439 0.001568 0.001811 -0.001069 -0.000760 31O 1dyz 0.004871 0.002809 -0.000677 -0.005172 0.001973 -0.004605 31O 1dx2y2 0.010990 -0.007894 -0.005434 0.000540 -0.006220 0.009836 31O 1dxy -0.003086 -0.005154 0.004308 0.001641 0.001768 -0.000210 31O 2dz2 -0.028070 -0.155981 0.018643 0.031286 0.072147 -0.010882 31O 2dxz 0.046930 0.056551 -0.094242 0.024336 -0.120266 0.101711 31O 2dyz -0.091369 0.094356 0.144153 -0.009998 0.009387 -0.076223 31O 2dx2y2 -0.175368 0.002598 0.181097 -0.004253 0.014102 -0.040351 31O 2dxy -0.075534 0.094513 -0.026377 0.054418 -0.010513 0.019609 31O 1f0 0.000647 -0.010975 0.022027 -0.011783 -0.002536 -0.007931 31O 1f+1 0.000323 -0.006369 0.017055 0.025570 0.035449 -0.019045 31O 1f-1 0.015407 -0.005781 -0.040352 0.000458 -0.000233 0.014647 31O 1f+2 0.026502 -0.005228 -0.042487 0.016071 -0.007126 0.020384 31O 1f-2 0.002091 0.002668 -0.001737 -0.006880 0.003477 0.007982 31O 1f+3 0.005622 0.010056 -0.008934 0.026995 0.023299 -0.003981 31O 1f-3 0.020742 -0.019653 -0.011881 -0.021699 -0.013891 0.004224 32O 1s -0.009403 0.002860 -0.000456 0.001510 -0.000539 0.002360 32O 2s -0.036067 0.009881 -0.001710 0.006786 -0.001208 0.007882 32O 3s 0.360237 -0.076027 0.019953 -0.086063 -0.003396 -0.054417 32O 4s -0.799054 0.149883 -0.067858 0.192320 0.016787 0.100585 32O 5s 0.470750 -0.278370 0.103315 0.060737 0.123802 -0.262471 32O 1pz 0.064494 -0.008911 -0.010443 -0.038132 -0.075406 0.004034 32O 1px -0.002554 -0.003671 0.000760 0.004093 -0.019056 -0.009303 32O 1py 0.041270 0.009284 0.006959 -0.039408 -0.006850 0.009504 32O 2pz -0.278330 0.034123 0.032095 0.166450 0.367606 0.019319 32O 2px 0.024046 0.025402 0.009679 -0.013320 0.099465 0.053404 32O 2py -0.185965 -0.027703 -0.021242 0.119151 0.021744 -0.039396 32O 3pz -0.001514 0.018375 -0.013363 -0.009033 -0.083477 0.000786 32O 3px 0.120309 -0.017700 0.070176 -0.015214 -0.017405 -0.031190 32O 3py 0.072340 -0.070837 -0.007099 0.025614 0.041870 -0.087525 32O 1dz2 0.003682 0.004451 0.000869 0.001296 0.000732 0.007235 32O 1dxz 0.001593 0.004273 0.002621 0.003427 -0.008566 -0.002032 32O 1dyz 0.004500 -0.000611 0.001314 -0.007183 -0.007957 -0.001734 32O 1dx2y2 0.002787 0.007678 0.001420 -0.003444 -0.008540 0.002827 32O 1dxy 0.001464 -0.003244 -0.003272 0.008708 -0.001487 -0.004532 32O 2dz2 -0.119203 0.022970 0.004323 0.064970 0.104620 0.023697 32O 2dxz 0.013624 0.002146 -0.010770 -0.001677 -0.115245 -0.025515 32O 2dyz -0.101405 0.014706 0.017824 0.049510 0.139465 0.011691 32O 2dx2y2 0.041180 0.022443 0.011155 -0.030338 -0.056275 0.010462 32O 2dxy 0.028962 0.005580 0.001628 0.015441 0.049343 0.010432 32O 1f0 0.018271 -0.001651 -0.000952 -0.004711 -0.011743 -0.002061 32O 1f+1 0.000475 -0.000176 -0.000064 -0.004408 -0.016719 -0.006117 32O 1f-1 0.026327 -0.006273 -0.003424 -0.016499 -0.017059 -0.003786 32O 1f+2 -0.010237 0.000949 -0.001391 0.000033 0.010897 0.004154 32O 1f-2 -0.010387 -0.001138 0.000583 0.011595 0.027133 -0.002273 32O 1f+3 -0.001375 0.006443 -0.000661 -0.000628 -0.012908 0.000997 32O 1f-3 0.004994 -0.003765 -0.005505 0.012674 -0.010942 -0.002984 33O 1s 0.004276 -0.001347 -0.003352 0.000643 0.000388 0.004888 33O 2s 0.015880 -0.004798 -0.011545 0.001334 0.001760 0.017222 33O 3s -0.137230 0.037467 0.099751 0.008427 -0.004977 -0.138422 33O 4s 0.400382 -0.063783 -0.200110 -0.105441 -0.030686 0.351914 33O 5s -0.678123 0.150795 0.327714 -0.124399 -0.135654 -0.333383 33O 1pz 0.135235 0.001799 0.043493 0.033214 -0.054320 0.017341 33O 1px 0.062953 0.016238 0.038419 0.011751 0.000372 0.072651 33O 1py 0.121986 -0.066913 -0.002875 -0.001193 0.033274 -0.045117 33O 2pz -0.427838 -0.046057 -0.181468 -0.135541 0.068615 -0.109189 33O 2px -0.241299 -0.085600 -0.108973 0.016926 0.052129 -0.216909 33O 2py -0.336628 0.268849 0.016522 0.020059 -0.123526 0.117370 33O 3pz 0.575196 -0.092164 0.057743 -0.263224 0.110268 0.265154 33O 3px 0.142213 0.026976 -0.145725 0.053667 0.005836 0.029744 33O 3py 0.292934 -0.217864 0.083112 -0.021204 0.027387 0.246425 33O 1dz2 0.004849 -0.000177 0.003619 0.005160 -0.005533 0.013751 33O 1dxz -0.001437 -0.007449 -0.001905 0.000620 -0.004086 0.001147 33O 1dyz 0.002680 -0.000968 -0.003456 -0.006042 0.001512 -0.003579 33O 1dx2y2 -0.019562 -0.004215 0.001531 0.004871 -0.001141 0.002974 33O 1dxy -0.007917 0.012773 0.000857 0.004300 -0.000577 0.003122 33O 2dz2 -0.274690 -0.104713 -0.092083 -0.007021 0.020837 -0.057566 33O 2dxz -0.028401 0.026580 0.034726 0.079309 -0.046336 0.001333 33O 2dyz -0.181170 0.159532 -0.010967 0.008320 -0.032816 -0.020584 33O 2dx2y2 0.139123 -0.007650 0.088901 0.047056 -0.050675 0.080928 33O 2dxy 0.026421 -0.151782 -0.068032 -0.009383 0.033283 -0.119596 33O 1f0 0.011640 -0.015195 -0.013637 -0.019708 0.008258 0.004606 33O 1f+1 -0.018616 -0.010010 -0.011737 -0.021713 0.021983 0.018350 33O 1f-1 0.029001 -0.007137 0.010503 -0.005166 0.003315 0.014604 33O 1f+2 -0.039482 0.001554 -0.013502 -0.008850 -0.008267 -0.010616 33O 1f-2 -0.027918 0.011288 -0.011053 0.000414 -0.008362 0.001079 33O 1f+3 -0.029150 -0.004658 -0.022549 -0.022009 0.019629 0.001788 33O 1f-3 0.015684 0.017202 0.026768 -0.007181 0.020980 0.049944 34O 1s 0.010488 -0.004364 -0.002241 -0.001895 -0.002937 0.002186 34O 2s 0.035489 -0.013557 -0.007218 -0.005621 -0.008529 0.008393 34O 3s -0.256878 0.056870 0.023318 0.028995 0.028545 -0.089330 34O 4s 0.512549 0.067951 -0.014245 -0.008993 0.069808 0.321810 34O 5s -1.062538 0.643901 0.171216 0.144846 0.118842 -0.063801 34O 1pz 0.059178 -0.018735 -0.005771 -0.064746 -0.025085 -0.042329 34O 1px -0.018440 0.022260 0.054086 0.004050 0.029152 -0.049476 34O 1py -0.027331 0.027354 0.070777 0.015397 0.073487 -0.069312 34O 2pz -0.196203 0.023091 -0.004550 0.181493 0.057961 0.130383 34O 2px -0.056407 0.153895 -0.010778 0.029929 0.042409 0.225916 34O 2py 0.145745 -0.164720 -0.325632 -0.024441 -0.233123 0.189825 34O 3pz 0.227529 0.027618 -0.128365 0.063870 -0.048614 0.110466 34O 3px -0.191183 0.212010 -0.084947 0.124053 0.127907 0.076492 34O 3py -0.314262 0.190565 0.175084 -0.031424 -0.110963 -0.096362 34O 1dz2 0.000327 -0.006322 0.000489 -0.004996 0.007814 -0.002930 34O 1dxz 0.010447 -0.006089 0.002666 -0.008820 0.006416 -0.005143 34O 1dyz 0.002904 0.000712 -0.005645 0.003418 -0.004171 0.004544 34O 1dx2y2 0.001023 -0.008182 -0.002636 -0.004709 0.000854 -0.011606 34O 1dxy -0.012438 0.005934 0.012868 -0.003062 0.002695 -0.004141 34O 2dz2 0.051368 -0.106031 -0.022355 -0.041012 0.025210 -0.060651 34O 2dxz -0.103068 -0.020644 -0.069536 0.109678 0.038536 0.068436 34O 2dyz 0.086752 0.015680 -0.041561 -0.025662 -0.033351 0.041764 34O 2dx2y2 0.033957 -0.033059 -0.100868 -0.026003 -0.000779 0.087490 34O 2dxy 0.089744 -0.106681 -0.203832 -0.033220 -0.109465 0.114026 34O 1f0 -0.005361 0.005859 -0.021307 0.033013 0.011979 0.006759 34O 1f+1 0.010413 0.003991 -0.026835 -0.005690 -0.016741 0.017439 34O 1f-1 -0.000916 -0.006418 0.003964 -0.001967 0.005426 0.004021 34O 1f+2 0.004846 -0.008280 0.007956 -0.019237 -0.009390 -0.014460 34O 1f-2 -0.022081 0.000351 0.038816 0.003008 0.007590 -0.017423 34O 1f+3 0.022978 -0.024092 -0.029728 -0.014774 -0.020326 0.018554 34O 1f-3 -0.000070 0.011949 -0.014722 -0.015307 -0.022515 0.009999 35O 1s -0.008034 0.004626 0.000362 0.002720 -0.001299 -0.004548 35O 2s -0.026122 0.015880 0.002340 0.008248 -0.003627 -0.015932 35O 3s 0.150094 -0.113725 -0.059102 -0.041067 0.004532 0.135762 35O 4s -0.242402 0.171076 0.239133 -0.017246 0.092266 -0.363306 35O 5s 0.786943 -0.533281 0.003455 -0.301016 0.033855 0.287490 35O 1pz -0.074218 0.006104 -0.067297 -0.019237 -0.017892 -0.092042 35O 1px 0.063406 0.000532 0.012971 -0.038772 0.032890 0.035650 35O 1py -0.025250 0.004339 0.032827 0.072824 -0.038426 0.020274 35O 2pz 0.317988 -0.044319 0.261579 0.067928 0.045742 0.254468 35O 2px 0.033123 -0.074018 0.128954 0.034011 -0.004850 -0.126793 35O 2py 0.185929 -0.026998 -0.052607 -0.259352 0.153201 -0.079674 35O 3pz -0.322568 0.225080 0.040125 0.016227 0.063291 -0.039809 35O 3px 0.121145 -0.018916 0.010272 -0.121932 0.057677 0.126222 35O 3py -0.162355 -0.040521 -0.028513 -0.088366 0.173316 -0.104287 35O 1dz2 0.005148 -0.005986 0.001820 -0.004584 0.008970 -0.007254 35O 1dxz -0.019168 0.001073 -0.005275 -0.004512 0.007314 -0.008090 35O 1dyz -0.004012 0.002511 0.000991 0.001876 0.000515 0.005447 35O 1dx2y2 0.004107 -0.009907 -0.011611 -0.007623 0.005661 -0.004793 35O 1dxy -0.005509 0.003007 0.003145 0.005159 -0.002874 0.004218 35O 2dz2 0.056298 -0.072319 -0.001261 -0.011615 0.034231 0.028862 35O 2dxz 0.168898 -0.050414 0.137876 0.028405 0.036231 0.104080 35O 2dyz 0.170962 0.003779 0.078530 0.010869 0.006285 0.134477 35O 2dx2y2 -0.007186 -0.061417 0.079739 0.096396 -0.033950 -0.049497 35O 2dxy 0.088304 -0.009796 -0.063838 -0.137688 0.074924 -0.047894 35O 1f0 0.016254 0.017711 0.024382 -0.001774 0.004018 0.026052 35O 1f+1 -0.035347 0.025954 -0.006141 0.009180 -0.009634 -0.011370 35O 1f-1 -0.004381 0.007835 0.002586 0.004679 -0.003370 -0.014580 35O 1f+2 0.026663 0.008729 0.010961 0.008293 -0.011247 -0.004376 35O 1f-2 -0.035887 -0.001248 -0.016925 -0.005155 -0.012523 -0.031653 35O 1f+3 -0.003405 0.007126 0.012295 0.033392 -0.026937 -0.016453 35O 1f-3 -0.027156 -0.010265 -0.024386 -0.007936 0.000275 -0.021754 564 565 566 567 568 569 3.83268 3.84231 3.85645 3.86530 3.87053 3.89323 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s -0.002953 -0.000667 0.012385 0.001403 -0.000283 0.004045 0Rh 2s 0.026926 0.006827 -0.112023 -0.012732 -0.003163 -0.035883 0Rh 3s -0.001391 0.000131 0.006420 0.000706 -0.003590 0.002531 0Rh 4s -0.148538 -0.037668 0.618889 0.070421 0.016969 0.198683 0Rh 5s 0.336479 0.088231 -1.401668 -0.160128 -0.058964 -0.449103 0Rh 6s -0.319507 -0.096150 1.318119 0.152379 0.146131 0.413903 0Rh 7s 0.475102 0.284123 -1.732272 -0.188725 -1.147795 -0.435485 0Rh 8s -0.030750 -0.072004 0.137194 -0.016918 0.271281 -0.204867 0Rh 1pz 0.002060 0.001498 -0.000577 0.005082 -0.000060 0.001748 0Rh 1px 0.000274 0.001570 0.000099 0.001982 -0.007393 -0.000642 0Rh 1py 0.003163 -0.000783 0.000240 -0.000667 -0.000843 0.009343 0Rh 2pz -0.008557 -0.006601 0.002261 -0.019092 0.000459 -0.006672 0Rh 2px -0.001105 -0.006219 -0.000693 -0.007603 0.027799 0.002310 0Rh 2py -0.012472 0.003238 -0.000219 0.002551 0.002677 -0.035740 0Rh 3pz 0.030833 0.031204 -0.005791 0.028750 -0.006090 0.011996 0Rh 3px 0.002995 0.015969 0.009179 0.014898 -0.040082 -0.001160 0Rh 3py 0.031501 -0.011421 -0.015020 -0.004764 0.007388 0.066375 0Rh 4pz -0.063950 -0.082199 0.008577 0.037421 0.024715 0.006108 0Rh 4px -0.001449 -0.014659 -0.043146 -0.000573 -0.077373 -0.015098 0Rh 4py -0.030580 0.023479 0.072489 -0.001321 -0.061444 0.022283 0Rh 5pz 0.127219 0.168043 -0.029734 -0.116833 -0.059923 -0.030805 0Rh 5px -0.012138 0.007024 0.139113 -0.014714 0.285635 0.031895 0Rh 5py 0.035680 -0.048458 -0.174807 0.010002 0.159938 -0.143743 0Rh 6pz -0.482355 -0.512273 0.339107 -0.008888 0.351965 -0.092040 0Rh 6px 0.183674 0.045746 -0.906321 -0.031633 -0.899739 0.167669 0Rh 6py -0.253223 0.175220 0.661018 0.013027 -0.399799 -0.189110 0Rh 1dz2 0.035740 0.067863 -0.011409 -0.058740 0.018416 -0.012591 0Rh 1dxz -0.067512 -0.079625 -0.006060 0.085434 -0.016145 0.015732 0Rh 1dyz -0.008971 0.010528 -0.036821 -0.002041 0.025356 -0.051243 0Rh 1dx2y2 -0.018016 -0.035742 -0.021434 0.031882 0.005870 -0.009792 0Rh 1dxy -0.050701 0.039625 0.097984 -0.005151 -0.076608 0.110226 0Rh 2dz2 0.005329 0.011346 -0.001876 -0.008237 0.003125 -0.002057 0Rh 2dxz -0.011057 -0.012973 -0.000867 0.011750 -0.001099 0.001471 0Rh 2dyz -0.002787 0.001765 -0.006396 -0.000235 0.004456 -0.008136 0Rh 2dx2y2 -0.003331 -0.005858 -0.003467 0.004968 0.000165 -0.000631 0Rh 2dxy -0.009114 0.006503 0.015665 -0.000509 -0.012442 0.014836 0Rh 3dz2 -0.155105 -0.301250 0.050515 0.254105 -0.082251 0.056006 0Rh 3dxz 0.298368 0.352240 0.025951 -0.368931 0.064501 -0.064926 0Rh 3dyz 0.046056 -0.046892 0.165509 0.008452 -0.114293 0.227617 0Rh 3dx2y2 0.081052 0.158027 0.096137 -0.140230 -0.022570 0.039459 0Rh 3dxy 0.227979 -0.176016 -0.432933 0.021562 0.340629 -0.477235 0Rh 4dz2 0.205157 0.416248 -0.067370 -0.337622 0.114560 -0.078108 0Rh 4dxz -0.410250 -0.485307 -0.029669 0.490464 -0.076982 0.080574 0Rh 4dyz -0.078325 0.066159 -0.234927 -0.007849 0.162318 -0.317096 0Rh 4dx2y2 -0.111338 -0.216622 -0.143996 0.191430 0.026564 -0.047749 0Rh 4dxy -0.320887 0.245415 0.593452 -0.026976 -0.475765 0.642053 0Rh 5dz2 -0.140165 -0.348736 0.010890 0.220060 -0.098737 0.068341 0Rh 5dxz 0.361334 0.414715 -0.049689 -0.340609 0.029176 -0.032648 0Rh 5dyz 0.110924 -0.057528 0.210192 -0.051113 -0.146961 0.266582 0Rh 5dx2y2 0.067878 0.172094 0.234597 -0.160424 -0.010659 0.016480 0Rh 5dxy 0.285623 -0.217490 -0.455607 -0.009319 0.415629 -0.468918 0Rh 1f0 0.006693 0.017181 -0.008925 0.008768 0.002925 -0.008341 0Rh 1f+1 0.023361 0.024304 0.011442 0.003383 -0.002890 -0.001011 0Rh 1f-1 -0.005581 0.006143 0.002981 -0.009930 0.004145 -0.009430 0Rh 1f+2 -0.021504 -0.014755 0.020049 0.006235 -0.015537 -0.007000 0Rh 1f-2 0.001132 -0.015490 -0.008062 -0.002291 0.006915 -0.016385 0Rh 1f+3 -0.003948 0.014778 0.034240 -0.008293 -0.018711 -0.001981 0Rh 1f-3 0.009363 -0.000908 -0.021253 -0.000514 0.015023 0.015461 1Rh 1s -0.002881 -0.000672 0.012381 -0.001236 -0.000207 0.002138 1Rh 2s 0.026321 0.006902 -0.111983 0.010775 -0.003861 -0.018465 1Rh 3s -0.001328 0.000144 0.006418 -0.000884 -0.003555 0.001640 1Rh 4s -0.145195 -0.038080 0.618674 -0.059646 0.020829 0.102352 1Rh 5s 0.329078 0.089249 -1.401179 0.134133 -0.067754 -0.230003 1Rh 6s -0.313251 -0.097431 1.317620 -0.120986 0.154531 0.206050 1Rh 7s 0.469606 0.285977 -1.730874 0.075909 -1.158000 -0.172907 1Rh 8s -0.041796 -0.074865 0.137774 0.037139 0.270291 0.273474 1Rh 1pz -0.002130 -0.001474 0.000529 0.005133 -0.000399 0.002034 1Rh 1px -0.000254 -0.001565 -0.000112 0.002552 0.007174 -0.002578 1Rh 1py -0.003255 0.000820 -0.000188 -0.000633 0.000968 0.008982 1Rh 2pz 0.008826 0.006511 -0.002085 -0.019309 0.001276 -0.007689 1Rh 2px 0.001027 0.006197 0.000735 -0.009740 -0.026957 0.009662 1Rh 2py 0.012831 -0.003373 0.000021 0.002449 -0.003161 -0.034243 1Rh 3pz -0.031335 -0.031065 0.005573 0.029626 0.003262 0.012306 1Rh 3px -0.002760 -0.015855 -0.009136 0.017880 0.038422 -0.013763 1Rh 3py -0.032253 0.011583 0.015349 -0.005173 -0.006424 0.060926 1Rh 4pz 0.063826 0.082349 -0.009024 0.035314 -0.027256 0.013103 1Rh 4px 0.001088 0.014339 0.042654 0.005957 0.077328 -0.023265 1Rh 4py 0.030646 -0.023102 -0.072172 0.001587 0.061460 0.034587 1Rh 5pz -0.126334 -0.168583 0.030648 -0.112143 0.069104 -0.042633 1Rh 5px 0.013058 -0.006292 -0.138333 -0.038729 -0.283088 0.059482 1Rh 5py -0.034564 0.047665 0.173516 0.002929 -0.161503 -0.171856 1Rh 6pz 0.485706 0.516625 -0.338552 -0.041974 -0.352608 -0.192755 1Rh 6px -0.202770 -0.051789 0.909633 0.052392 0.893224 0.311269 1Rh 6py 0.255447 -0.176856 -0.660527 0.016759 0.402811 -0.154392 1Rh 1dz2 0.036098 0.070440 -0.012023 0.060178 0.014443 0.008617 1Rh 1dxz -0.066143 -0.078779 -0.004723 -0.086094 -0.009227 -0.026769 1Rh 1dyz -0.009919 0.010585 -0.036875 0.001913 0.025265 0.059016 1Rh 1dx2y2 -0.017525 -0.033822 -0.020867 -0.031932 0.009153 0.028295 1Rh 1dxy -0.049006 0.039131 0.097116 0.002023 -0.077015 -0.129574 1Rh 2dz2 0.005382 0.011796 -0.001956 0.008471 0.002580 0.001514 1Rh 2dxz -0.010872 -0.012849 -0.000671 -0.011744 -0.000139 -0.003333 1Rh 2dyz -0.002941 0.001892 -0.006382 0.000251 0.004423 0.009362 1Rh 2dx2y2 -0.003235 -0.005544 -0.003379 -0.005047 0.000654 0.003734 1Rh 2dxy -0.008890 0.006479 0.015549 -0.000015 -0.012482 -0.017634 1Rh 3dz2 -0.156671 -0.312797 0.053130 -0.260485 -0.065107 -0.038770 1Rh 3dxz 0.292505 0.348561 0.020130 0.371323 0.034565 0.114248 1Rh 3dyz 0.050243 -0.047711 0.165642 -0.008049 -0.113813 -0.262085 1Rh 3dx2y2 0.078814 0.149522 0.093649 0.140796 -0.036926 -0.121994 1Rh 3dxy 0.220733 -0.174109 -0.429204 -0.007587 0.342337 0.562249 1Rh 4dz2 0.207288 0.432463 -0.070721 0.346436 0.091834 0.055761 1Rh 4dxz -0.402608 -0.480399 -0.021840 -0.492793 -0.037030 -0.148042 1Rh 4dyz -0.084033 0.068692 -0.234807 0.007556 0.161714 0.365227 1Rh 4dx2y2 -0.108189 -0.204900 -0.140618 -0.192878 0.046037 0.160337 1Rh 4dxy -0.311428 0.243450 0.588563 0.007291 -0.477908 -0.761469 1Rh 5dz2 -0.141657 -0.364256 0.011998 -0.227651 -0.084145 -0.072252 1Rh 5dxz 0.356880 0.411559 -0.055609 0.339033 0.001118 0.062236 1Rh 5dyz 0.115033 -0.068378 0.207125 0.050787 -0.150128 -0.311551 1Rh 5dx2y2 0.064704 0.161886 0.231892 0.164669 -0.026164 -0.070076 1Rh 5dxy 0.279059 -0.219500 -0.452985 0.027444 0.414710 0.586989 1Rh 1f0 -0.006931 -0.016938 0.008883 0.008521 -0.003591 -0.000391 1Rh 1f+1 -0.023426 -0.024627 -0.011598 0.003391 0.002500 -0.008549 1Rh 1f-1 0.005646 -0.006237 -0.002821 -0.010326 -0.003446 -0.012800 1Rh 1f+2 0.021772 0.014826 -0.020320 0.007037 0.015000 -0.014748 1Rh 1f-2 -0.000927 0.015084 0.007923 -0.002602 -0.006523 -0.023143 1Rh 1f+3 0.004381 -0.014381 -0.034166 -0.007641 0.019305 -0.011149 1Rh 1f-3 -0.009354 0.001291 0.021163 -0.000870 -0.014892 0.002803 2C 1s 0.008832 -0.003186 -0.003982 0.004055 -0.005197 0.000090 2C 2s 0.024000 -0.010717 -0.009873 0.009361 -0.013847 -0.002259 2C 3s -0.111542 0.154476 0.028365 0.137807 -0.042913 0.277263 2C 4s -0.663868 -0.264769 0.230100 -1.579951 1.310524 -1.878758 2C 5s 0.170434 0.456389 -0.900213 0.933916 -0.861544 0.510053 2C 1pz -0.154782 0.094470 0.065850 -0.036652 0.085219 0.046844 2C 1px -0.064754 0.002937 0.033645 -0.012624 -0.003034 0.009865 2C 1py -0.105681 0.046391 0.048891 -0.031730 0.051165 0.038393 2C 2pz -0.039584 -0.253430 0.277232 -0.811580 0.416070 -1.015801 2C 2px -0.397534 0.282093 -0.316456 -0.705539 1.255184 -0.884877 2C 2py 0.168617 -0.321534 -0.212922 -0.233921 0.390224 -0.560148 2C 3pz 0.056113 0.046412 -0.271964 0.130195 -0.165467 0.037334 2C 3px 0.159801 -0.001329 -0.084729 0.179944 -0.231713 0.139638 2C 3py 0.023162 0.089141 -0.104108 0.072555 -0.131165 -0.070611 2C 1dz2 -0.062606 0.031980 0.011297 -0.013959 0.084975 -0.004557 2C 1dxz 0.081081 -0.113207 0.082143 0.124292 -0.206034 0.160942 2C 1dyz -0.225074 0.106050 0.056716 -0.148165 0.239086 -0.072175 2C 1dx2y2 -0.007634 -0.011868 -0.121784 -0.021982 0.128146 -0.087573 2C 1dxy -0.080480 0.026258 0.114378 -0.055950 -0.033371 -0.020957 2C 2dz2 0.189732 -0.194339 0.071072 -0.125722 -0.141021 -0.156671 2C 2dxz 0.174311 0.058633 -0.234741 -0.045802 0.153038 -0.126213 2C 2dyz 0.360572 -0.279873 -0.138700 -0.074074 0.035629 -0.387861 2C 2dx2y2 -0.214930 0.116435 0.046130 -0.133568 0.223761 -0.019594 2C 2dxy 0.059958 0.076343 -0.120147 -0.120958 0.230015 -0.192188 2C 1f0 -0.021099 -0.075452 0.085057 -0.021593 -0.104150 0.022398 2C 1f+1 0.212496 -0.039913 -0.150884 0.074991 0.045527 -0.032565 2C 1f-1 0.228012 -0.189940 -0.058042 0.088053 -0.229217 0.006261 2C 1f+2 -0.063329 0.046362 -0.036406 -0.039209 0.077922 0.007471 2C 1f-2 -0.012320 0.122225 -0.046702 -0.082088 0.200745 -0.084021 2C 1f+3 0.220664 0.008289 -0.080562 0.055614 -0.036348 -0.017775 2C 1f-3 0.095991 -0.055726 0.011882 0.060466 -0.095332 0.017878 3C 1s -0.004836 0.005980 -0.006945 0.002668 -0.005734 -0.003284 3C 2s -0.014222 0.016987 -0.019194 0.006040 -0.014808 -0.006871 3C 3s 0.103856 -0.111745 0.115339 0.122147 -0.061809 -0.185972 3C 4s 0.274881 -0.256922 0.368375 -1.299173 1.387007 1.818763 3C 5s 0.483986 0.009174 -0.543327 0.441140 -0.984773 -1.218738 3C 1pz 0.050717 -0.054953 0.083991 -0.004242 0.045412 0.034141 3C 1px 0.034094 -0.068272 0.018612 0.002388 0.045664 0.012142 3C 1py -0.100146 0.117878 -0.137645 0.024007 -0.076594 -0.011550 3C 2pz -0.340894 0.238067 -0.422417 0.014482 -0.187913 -0.355513 3C 2px 0.615223 0.397639 0.528360 -0.724562 0.483495 0.625835 3C 2py 0.119309 0.109278 -0.178256 0.725582 -0.813112 -1.452401 3C 3pz 0.099054 -0.043099 -0.026599 -0.074265 -0.006695 0.039484 3C 3px -0.065184 0.011524 -0.060999 0.066745 -0.178848 -0.173244 3C 3py -0.110566 -0.081935 0.240763 -0.091452 0.247996 0.290804 3C 1dz2 0.009924 0.050355 -0.016523 0.014642 -0.038624 -0.054464 3C 1dxz -0.160051 -0.156477 -0.045893 0.093962 -0.013794 0.018649 3C 1dyz -0.220646 0.104830 -0.278353 0.181706 -0.217210 -0.246909 3C 1dx2y2 -0.026039 -0.037626 -0.050177 -0.023824 0.032006 0.099231 3C 1dxy 0.034062 0.058736 0.012110 -0.049915 0.001930 0.045925 3C 2dz2 -0.039877 -0.027156 -0.127027 0.121072 -0.153448 -0.381333 3C 2dxz -0.039063 0.204511 -0.039149 -0.051066 -0.108809 -0.066682 3C 2dyz 0.290681 -0.186386 0.271894 0.084269 -0.010313 -0.183268 3C 2dx2y2 0.280149 -0.086286 0.307355 -0.053142 0.070278 -0.091575 3C 2dxy -0.072790 -0.362375 -0.064679 0.201029 0.031444 -0.105135 3C 1f0 0.145022 -0.123691 0.128859 -0.040358 0.131979 0.046009 3C 1f+1 -0.060414 -0.050085 -0.017150 0.026189 -0.027609 -0.043853 3C 1f-1 0.101767 -0.043675 0.184726 -0.069848 0.115575 0.210580 3C 1f+2 0.058160 0.084177 0.148810 -0.044651 -0.046327 0.003631 3C 1f-2 0.028811 -0.131399 -0.068883 0.043000 0.095978 0.053859 3C 1f+3 -0.057747 0.265170 -0.051727 0.008795 -0.120348 0.002081 3C 1f-3 0.197517 -0.034827 0.237593 -0.125723 0.068722 0.002244 4C 1s 0.019076 -0.006738 -0.001625 0.015168 -0.015054 0.011524 4C 2s 0.053965 -0.018478 -0.008761 0.039667 -0.040876 0.027490 4C 3s -0.270881 0.018924 0.213177 -0.153477 0.103986 0.030580 4C 4s -0.795019 0.643204 -0.439659 -0.631166 1.099510 -0.862039 4C 5s -0.530830 0.344631 0.373441 -0.546336 0.569897 -0.508313 4C 1pz 0.261884 -0.101304 -0.080756 0.176347 -0.257169 0.117226 4C 1px 0.015582 0.022222 -0.029128 0.033185 0.023388 -0.003061 4C 1py 0.187724 -0.068579 -0.075311 0.144014 -0.163370 0.088301 4C 2pz -0.439711 0.027609 -0.076473 -1.297586 1.438513 -1.699836 4C 2px -0.451009 -0.474145 0.281760 -0.440322 -0.086624 -0.495215 4C 2py -0.589362 -0.065890 0.147514 -1.131996 0.939898 -1.266265 4C 3pz -0.466441 0.708225 -0.683161 0.295897 -0.342436 0.018917 4C 3px -0.104240 0.122406 -0.069093 -0.092288 0.011237 0.044602 4C 3py -0.298060 0.466494 -0.470779 0.162480 -0.211811 0.103457 4C 1dz2 -0.116898 0.015206 0.044670 -0.044206 0.055366 -0.028886 4C 1dxz -0.018095 0.070341 0.029941 0.019245 0.074520 0.013021 4C 1dyz -0.201871 0.058938 0.042557 -0.204170 0.214511 -0.149321 4C 1dx2y2 0.016999 -0.034970 -0.074305 -0.041932 0.020904 -0.106580 4C 1dxy -0.037663 0.038970 -0.050292 -0.082160 0.127596 -0.108374 4C 2dz2 0.304180 0.021406 0.123129 0.449548 -0.643106 0.641630 4C 2dxz 0.104382 -0.076069 -0.248712 0.199419 -0.073544 0.256292 4C 2dyz 0.274403 -0.008222 -0.221223 0.618332 -0.531516 0.599288 4C 2dx2y2 -0.327213 0.066989 -0.093535 -0.568739 0.643434 -0.657123 4C 2dxy -0.151509 0.207671 -0.034794 -0.173247 0.213913 -0.271410 4C 1f0 0.023967 0.042267 0.095003 0.052494 -0.069229 0.058678 4C 1f+1 0.182497 -0.111198 -0.022689 0.285028 -0.292352 0.358639 4C 1f-1 -0.175487 0.059927 -0.002509 -0.108913 0.241391 -0.063038 4C 1f+2 0.041760 0.028749 -0.144746 -0.019317 0.113782 -0.108427 4C 1f-2 -0.022324 0.013297 0.116759 0.004375 -0.124375 0.019664 4C 1f+3 -0.032055 0.185248 0.101050 -0.046933 0.016164 0.015333 4C 1f-3 0.228705 0.035090 -0.000450 0.204838 -0.162781 0.226956 5C 1s -0.013761 0.011387 -0.008726 0.011960 -0.015691 -0.013033 5C 2s -0.037152 0.032088 -0.028731 0.030985 -0.042481 -0.034806 5C 3s 0.110250 -0.121378 0.270964 -0.086005 0.140048 0.160463 5C 4s 0.771863 -0.786222 -0.050777 -0.583106 1.008854 0.390192 5C 5s 0.164636 -0.555289 0.386930 -0.340326 0.514004 0.766298 5C 1pz -0.116639 0.116424 -0.151251 0.121394 -0.174082 -0.170588 5C 1px -0.004052 0.094349 -0.032182 -0.004477 -0.071594 -0.075948 5C 1py 0.158421 -0.160236 0.193285 -0.146749 0.221397 0.169857 5C 2pz 0.328803 -0.146074 0.512020 -0.869606 0.851382 1.246292 5C 2px -0.024669 -0.553848 -0.472025 -0.263867 0.856275 0.903297 5C 2py -0.362806 0.130783 -0.373960 1.242936 -1.165450 -1.424185 5C 3pz 0.480550 -0.264804 -0.146690 0.023917 -0.268425 -0.397658 5C 3px 0.322022 -0.133972 -0.191802 0.108095 -0.153430 -0.090040 5C 3py -0.814862 0.454712 0.217890 -0.001634 0.406708 0.557814 5C 1dz2 -0.065836 0.007191 -0.009698 0.103690 -0.088570 -0.084922 5C 1dxz 0.029814 -0.012103 0.092838 0.001277 -0.000090 0.000367 5C 1dyz -0.108278 0.138757 -0.048643 0.123941 -0.211648 -0.179336 5C 1dx2y2 -0.022805 0.101816 -0.084035 -0.009042 -0.060814 -0.024618 5C 1dxy -0.081974 0.028358 -0.140974 0.083388 -0.086535 -0.093113 5C 2dz2 -0.109728 0.128815 -0.135895 0.158355 -0.209150 -0.375550 5C 2dxz -0.175356 0.099186 -0.029576 0.267643 -0.401001 -0.449212 5C 2dyz 0.162241 -0.020957 0.262079 -0.385773 0.501658 0.698496 5C 2dx2y2 0.411803 -0.166917 0.294784 -0.673017 0.700701 0.702969 5C 2dxy -0.223065 -0.298590 0.120015 -0.168963 0.209843 0.329604 5C 1f0 -0.095198 0.162345 -0.267105 0.172335 -0.149112 -0.192299 5C 1f+1 -0.169060 0.096695 0.056004 0.110682 -0.220511 -0.128878 5C 1f-1 -0.111316 -0.012022 -0.098202 0.059927 -0.125246 -0.213077 5C 1f+2 -0.109590 0.035038 -0.055412 0.081225 -0.139335 -0.098820 5C 1f-2 0.139475 0.131717 0.044524 -0.132710 0.031002 0.006074 5C 1f+3 0.029738 0.140607 -0.005973 0.116816 -0.138612 -0.239057 5C 1f-3 0.089485 -0.043211 -0.029650 -0.141682 0.184583 0.206127 6C 1s -0.013408 0.011563 -0.008355 -0.013389 -0.014705 0.015590 6C 2s -0.036167 0.032553 -0.027744 -0.034942 -0.039953 0.039281 6C 3s 0.105780 -0.123413 0.266371 0.101739 0.134293 -0.068535 6C 4s 0.753584 -0.793683 -0.062159 0.666720 0.958916 -0.910857 6C 5s 0.168568 -0.562611 0.374992 0.388168 0.487063 -0.831406 6C 1pz 0.112761 -0.118385 0.147402 0.137193 0.164181 -0.181343 6C 1px 0.003138 -0.092321 0.031646 0.000860 0.070435 -0.067169 6C 1py -0.153755 0.163134 -0.188978 -0.168557 -0.210587 0.178388 6C 2pz -0.319636 0.155048 -0.488187 -0.937847 -0.773629 1.457710 6C 2px 0.021572 0.554290 0.477310 -0.310717 -0.826212 0.920622 6C 2py 0.357553 -0.146623 0.344968 1.338015 1.061267 -1.722473 6C 3pz -0.472909 0.264038 0.142234 0.040011 0.262133 -0.307883 6C 3px -0.319622 0.130107 0.186945 0.121996 0.146928 -0.012445 6C 3py 0.802165 -0.451021 -0.210789 -0.028542 -0.402518 0.400458 6C 1dz2 -0.064328 0.009378 -0.006816 -0.110129 -0.080257 0.120699 6C 1dxz 0.028241 -0.014353 0.092816 0.001250 0.000542 0.008123 6C 1dyz -0.105305 0.139874 -0.044767 -0.141337 -0.200781 0.215400 6C 1dx2y2 -0.021781 0.100326 -0.083855 0.003460 -0.061873 -0.024170 6C 1dxy -0.079757 0.031069 -0.138902 -0.093846 -0.080917 0.112202 6C 2dz2 -0.107151 0.132367 -0.133345 -0.177264 -0.193065 0.465608 6C 2dxz -0.172459 0.101166 -0.021890 -0.294103 -0.374203 0.498812 6C 2dyz 0.157897 -0.031224 0.251980 0.427120 0.468061 -0.733465 6C 2dx2y2 0.404249 -0.180141 0.280444 0.734793 0.646484 -0.849609 6C 2dxy -0.219587 -0.287045 0.115136 0.182285 0.193128 -0.354972 6C 1f0 0.091210 -0.162592 0.262380 0.189838 0.135580 -0.240453 6C 1f+1 0.165750 -0.098658 -0.059622 0.125529 0.209985 -0.150320 6C 1f-1 0.108530 0.009618 0.095293 0.068864 0.118300 -0.212219 6C 1f+2 0.107276 -0.038473 0.054288 0.094858 0.133312 -0.106221 6C 1f-2 -0.137413 -0.127144 -0.042024 -0.138745 -0.021499 0.075950 6C 1f+3 -0.029179 -0.139153 0.004624 0.127669 0.127867 -0.327596 6C 1f-3 -0.088152 0.044638 0.033868 -0.152645 -0.170073 0.241805 7C 1s 0.018980 -0.007056 -0.001269 -0.016226 -0.013885 -0.008404 7C 2s 0.053661 -0.019327 -0.007814 -0.042589 -0.037821 -0.021496 7C 3s -0.268794 0.021752 0.209157 0.163573 0.091840 0.041589 7C 4s -0.791426 0.658567 -0.454132 0.698889 1.051934 0.376430 7C 5s -0.535908 0.348472 0.368791 0.592484 0.525565 0.512234 7C 1pz -0.261087 0.105841 0.077302 0.195410 0.244044 0.114106 7C 1px -0.014598 -0.024590 0.027488 0.030474 -0.026135 -0.005157 7C 1py -0.185790 0.070964 0.072392 0.155609 0.150862 0.076465 7C 2pz 0.462367 -0.048354 0.089285 -1.404501 -1.342578 -1.472039 7C 2px 0.454291 0.472365 -0.274411 -0.441474 0.117365 -0.346331 7C 2py 0.592592 0.052949 -0.132076 -1.204311 -0.845797 -1.024982 7C 3pz 0.462670 -0.707856 0.684091 0.337105 0.313391 0.140361 7C 3px 0.101373 -0.120358 0.070587 -0.092972 -0.007714 0.029571 7C 3py 0.295980 -0.467130 0.473643 0.189094 0.193745 0.167281 7C 1dz2 -0.114369 0.015430 0.042568 0.047896 0.051141 0.023362 7C 1dxz -0.017741 0.071661 0.030291 -0.013670 0.075632 0.027540 7C 1dyz -0.202173 0.062215 0.038895 0.219533 0.198845 0.112837 7C 1dx2y2 0.016900 -0.034618 -0.075254 0.043533 0.017134 0.059340 7C 1dxy -0.038767 0.042560 -0.051052 0.090941 0.121748 0.085860 7C 2dz2 0.310671 0.004384 0.127251 -0.499200 -0.616072 -0.583892 7C 2dxz 0.105183 -0.063136 -0.242064 -0.203724 -0.056690 -0.222851 7C 2dyz 0.279927 -0.014919 -0.213659 -0.659293 -0.479804 -0.530140 7C 2dx2y2 -0.332887 0.078129 -0.099492 0.611817 0.597017 0.545352 7C 2dxy -0.153623 0.219229 -0.035636 0.193593 0.202541 0.188295 7C 1f0 -0.023322 -0.039352 -0.097859 0.055384 0.063392 0.027589 7C 1f+1 -0.185638 0.115623 0.020431 0.306167 0.267290 0.274773 7C 1f-1 0.175467 -0.065017 0.004431 -0.125176 -0.234555 -0.090599 7C 1f+2 -0.038585 -0.030806 0.144208 -0.026141 -0.115922 -0.085695 7C 1f-2 0.022162 -0.010086 -0.115684 0.013530 0.125532 0.038448 7C 1f+3 0.028053 -0.183104 -0.098850 -0.048455 -0.008500 0.031172 7C 1f-3 -0.225039 -0.032785 -0.004869 0.216597 0.148164 0.164094 8C 1s -0.004651 0.006046 -0.006843 -0.003280 -0.005541 0.002305 8C 2s -0.013694 0.017145 -0.018946 -0.007675 -0.014391 0.004457 8C 3s 0.099767 -0.110559 0.117669 -0.122332 -0.050614 0.216816 8C 4s 0.270180 -0.273694 0.335681 1.403927 1.275269 -1.998731 8C 5s 0.477909 0.022339 -0.520472 -0.517649 -0.944691 1.149925 8C 1pz -0.049203 0.055667 -0.083251 -0.009844 -0.045306 0.023009 8C 1px -0.033137 0.068196 -0.018440 -0.001416 -0.046016 -0.001031 8C 1py 0.096289 -0.118544 0.136286 0.033486 0.075498 0.003571 8C 2pz 0.324398 -0.242127 0.419806 0.033294 0.180301 -0.412746 8C 2px -0.605216 -0.366306 -0.517577 -0.785800 -0.433199 0.853189 8C 2py -0.118760 -0.109302 0.158428 0.773232 0.739695 -1.554486 8C 3pz -0.096179 0.041502 0.026399 -0.071877 0.014371 0.073139 8C 3px 0.063669 -0.015640 0.060381 0.082998 0.174436 -0.176343 8C 3py 0.110892 0.082552 -0.235193 -0.111314 -0.238769 0.248395 8C 1dz2 0.007937 0.047548 -0.017464 -0.018064 -0.037655 0.044659 8C 1dxz -0.156809 -0.148937 -0.043683 -0.098323 -0.006856 0.022219 8C 1dyz -0.213677 0.108929 -0.273833 -0.204158 -0.201950 0.268485 8C 1dx2y2 -0.026022 -0.033913 -0.050460 0.023110 0.027242 -0.133433 8C 1dxy 0.034411 0.056226 0.012637 0.051569 -0.001495 -0.080772 8C 2dz2 -0.038501 -0.023293 -0.123864 -0.133260 -0.140297 0.431680 8C 2dxz -0.037498 0.200662 -0.039022 0.042699 -0.111484 0.054923 8C 2dyz 0.280255 -0.190502 0.271930 -0.075475 -0.000572 0.216528 8C 2dx2y2 0.272399 -0.092487 0.305355 0.069904 0.069690 0.093918 8C 2dxy -0.072899 -0.352367 -0.060909 -0.202367 0.047496 0.185300 8C 1f0 -0.141222 0.126359 -0.127481 -0.053746 -0.130414 0.019199 8C 1f+1 0.061470 0.045344 0.017601 0.029338 0.027703 -0.037745 8C 1f-1 -0.098872 0.046092 -0.181457 -0.081446 -0.109192 0.221061 8C 1f+2 -0.057131 -0.081147 -0.149148 -0.046950 0.048329 0.048699 8C 1f-2 -0.027338 0.126585 0.070459 0.040557 -0.096078 0.009758 8C 1f+3 0.055550 -0.263873 0.051478 0.020183 0.121124 0.011185 8C 1f-3 -0.190020 0.038766 -0.233081 -0.139042 -0.059878 0.043013 9C 1s 0.008769 -0.003290 -0.003865 -0.004416 -0.004872 -0.000639 9C 2s 0.023753 -0.011002 -0.009541 -0.010285 -0.013100 0.000810 9C 3s -0.104934 0.154686 0.027204 -0.143409 -0.032364 -0.241548 9C 4s -0.689182 -0.246070 0.214682 1.683832 1.188431 1.659403 9C 5s 0.174288 0.446104 -0.891373 -1.014668 -0.781000 -0.537918 9C 1pz 0.151576 -0.095850 -0.063996 -0.042134 -0.082135 0.029342 9C 1px 0.063814 -0.002853 -0.032907 -0.012748 0.003965 0.011254 9C 1py 0.104942 -0.047856 -0.047333 -0.035287 -0.048625 0.028517 9C 2pz 0.041288 0.256039 -0.267987 -0.837065 -0.332311 -0.856884 9C 2px 0.406863 -0.320761 0.314048 -0.799470 -1.199622 -0.819373 9C 2py -0.137279 0.311378 0.209221 -0.284921 -0.407524 -0.613937 9C 3pz -0.053205 -0.045850 0.268706 0.143892 0.148861 0.060090 9C 3px -0.161295 0.006070 0.085365 0.199558 0.217022 0.152565 9C 3py -0.025779 -0.087322 0.105779 0.087680 0.130712 -0.025974 9C 1dz2 -0.065108 0.035989 0.010074 0.022780 0.087351 0.031833 9C 1dxz 0.081197 -0.121923 0.082955 -0.139891 -0.196845 -0.126441 9C 1dyz -0.221716 0.110563 0.054485 0.163724 0.226092 0.088408 9C 1dx2y2 -0.010243 -0.007709 -0.122157 0.030732 0.129448 0.086376 9C 1dxy -0.076473 0.023054 0.109523 0.053159 -0.038762 0.003058 9C 2dz2 0.187827 -0.200795 0.071164 0.113671 -0.157329 0.099005 9C 2dxz 0.169168 0.068499 -0.230663 0.055350 0.149053 0.115418 9C 2dyz 0.350131 -0.281164 -0.135205 0.081586 0.034069 0.359227 9C 2dx2y2 -0.211171 0.120449 0.044532 0.145201 0.208431 0.013639 9C 2dxy 0.056461 0.086260 -0.120374 0.139587 0.222154 0.166255 9C 1f0 0.021699 0.077392 -0.083802 -0.015067 0.108082 0.040629 9C 1f+1 -0.205344 0.036873 0.147369 0.070380 -0.053234 -0.058414 9C 1f-1 -0.227527 0.194820 0.057153 0.104381 0.223251 0.026788 9C 1f+2 0.056555 -0.048303 0.041216 -0.041419 -0.071480 0.016935 9C 1f-2 0.010872 -0.126159 0.047535 -0.094124 -0.192438 -0.097741 9C 1f+3 -0.216251 -0.008906 0.076448 0.058019 0.030582 -0.022029 9C 1f-3 -0.104235 0.060346 -0.011140 0.070367 0.093485 0.011612 10H 1s 0.115734 -0.001566 -0.069814 0.059629 -0.084226 0.045746 10H 2s 0.398503 -0.182572 0.164571 0.399080 -0.724674 0.453234 10H 3s -0.207375 0.061120 -0.009008 -0.277463 0.358168 -0.264122 10H 1pz 0.235597 -0.086660 0.031092 0.203984 -0.296454 0.189375 10H 1px -0.070719 0.057963 -0.107366 -0.105252 0.250834 -0.167842 10H 1py 0.104773 -0.019280 0.028372 0.082461 -0.137312 0.080989 11H 1s 0.110734 -0.061837 -0.050517 0.051152 -0.037813 -0.028064 11H 2s -0.248923 0.223684 0.087407 -0.360375 0.421227 -0.332572 11H 3s 0.093511 -0.113269 -0.047178 0.054361 -0.117977 0.093183 11H 1pz -0.072238 0.093323 0.012572 -0.119955 0.111387 -0.103998 11H 1px -0.084926 0.080073 0.038086 -0.114396 0.144708 -0.118373 11H 1py 0.110351 -0.046364 -0.017262 0.079822 -0.133115 0.078447 12H 1s 0.090297 -0.028831 -0.016061 0.021677 -0.044950 -0.006842 12H 2s 0.034569 -0.064411 -0.266845 0.033087 0.305754 -0.057658 12H 3s -0.014593 0.023415 0.141538 -0.094337 -0.082466 -0.066566 12H 1pz 0.100029 -0.072050 -0.062910 0.086230 -0.110869 0.042838 12H 1px 0.023874 -0.032356 -0.052951 0.017325 0.062303 -0.010963 12H 1py 0.029229 -0.029430 -0.148766 0.034072 0.130349 -0.015116 13H 1s -0.020256 0.093886 -0.053497 0.021981 -0.087812 -0.069104 13H 2s -0.480528 -0.011210 -0.369295 0.409461 -0.407802 -0.458965 13H 3s 0.199277 -0.010644 0.150534 -0.233488 0.250698 0.310007 13H 1pz -0.207958 -0.020192 -0.138288 0.166459 -0.168974 -0.171191 13H 1px 0.101478 0.058083 0.083846 -0.097141 0.050406 0.087149 13H 1py 0.188068 -0.078062 0.130489 -0.147695 0.190156 0.168105 14H 1s -0.076295 0.042143 -0.065588 0.026900 -0.066145 -0.031928 14H 2s 0.227033 0.322368 0.031892 -0.058885 -0.073575 -0.208557 14H 3s -0.116840 -0.130254 0.030193 -0.039226 0.068246 0.171102 14H 1pz 0.085841 0.119318 0.000395 -0.017194 -0.041692 -0.094680 14H 1px 0.095918 0.146880 0.025466 -0.023820 -0.033875 -0.089122 14H 1py 0.044731 -0.082491 0.111972 -0.059320 0.068807 0.071317 15H 1s -0.063956 0.085322 -0.066212 0.012283 -0.040700 0.000012 15H 2s 0.161784 -0.175070 0.340487 -0.284830 0.386695 0.707250 15H 3s -0.059063 0.096634 -0.146973 0.085176 -0.107126 -0.194836 15H 1pz -0.088843 0.072327 -0.147913 0.112797 -0.157014 -0.222492 15H 1px -0.016159 -0.017493 0.027656 -0.022092 0.018379 0.065811 15H 1py -0.071231 0.064688 -0.122646 0.112972 -0.132427 -0.260175 16H 1s 0.091095 0.296926 0.160344 -0.317229 0.048548 0.041649 16H 2s 0.235824 0.493772 0.075961 -0.540819 -0.076685 0.122688 16H 3s -0.095313 -0.189518 -0.005770 0.205250 -0.047281 0.027092 16H 1pz 0.131409 0.377406 0.187464 -0.396032 0.011486 0.100045 16H 1px -0.010994 -0.025796 -0.001225 0.036422 0.011141 -0.006272 16H 1py 0.092417 0.206582 0.078987 -0.234433 0.040225 0.017891 17H 1s -0.186764 -0.319872 0.092789 0.357798 -0.022151 0.097266 17H 2s -0.337887 -0.446675 -0.039498 0.602777 -0.198134 0.209332 17H 3s 0.092345 0.203329 0.029803 -0.204978 -0.003601 -0.007278 17H 1pz 0.171635 0.240485 -0.070299 -0.280703 0.044100 -0.108974 17H 1px 0.176740 0.243658 -0.059366 -0.305744 0.065412 -0.116860 17H 1py -0.171620 -0.283223 0.045695 0.326607 -0.022378 0.079003 18H 1s -0.188029 -0.320364 0.102575 -0.355831 0.000090 -0.089309 18H 2s -0.334673 -0.447366 -0.021452 -0.619584 -0.157200 -0.333173 18H 3s 0.094237 0.203408 0.023360 0.205409 -0.016717 0.024332 18H 1pz -0.176388 -0.248071 0.079711 -0.291207 -0.026623 -0.120949 18H 1px -0.176821 -0.245141 0.067968 -0.309814 -0.045376 -0.145806 18H 1py 0.167251 0.276990 -0.052753 0.318217 0.000566 0.080525 19H 1s 0.091390 0.296003 0.150648 0.321642 0.028310 0.019664 19H 2s 0.240478 0.492699 0.058774 0.530096 -0.110816 -0.163383 19H 3s -0.094600 -0.188599 0.000845 -0.206725 -0.035105 -0.036945 19H 1pz -0.130985 -0.371364 -0.173273 -0.391094 0.013785 0.059343 19H 1px 0.012631 0.029129 0.001685 0.039182 -0.013710 -0.014270 19H 1py -0.095451 -0.213476 -0.075476 -0.244984 -0.024585 -0.014380 20H 1s -0.061579 0.085972 -0.065480 -0.017665 -0.040523 -0.003941 20H 2s 0.154592 -0.175655 0.333696 0.314461 0.356479 -0.796112 20H 3s -0.056335 0.095013 -0.145894 -0.094125 -0.098291 0.208128 20H 1pz 0.086273 -0.072924 0.145211 0.126084 0.146771 -0.234047 20H 1px 0.015784 0.017169 -0.028659 -0.024658 -0.017079 0.087101 20H 1py 0.067311 -0.064631 0.119874 0.122572 0.119444 -0.304287 21H 1s -0.074126 0.044095 -0.063876 -0.032984 -0.064198 0.012473 21H 2s 0.226718 0.309275 0.032648 0.063579 -0.071002 0.162026 21H 3s -0.115838 -0.125159 0.027163 0.040436 0.061711 -0.169130 21H 1pz -0.085788 -0.115304 -0.000894 -0.017196 0.040922 -0.086897 21H 1px -0.095230 -0.140333 -0.025480 -0.025704 0.032557 -0.071898 21H 1py -0.042161 0.082823 -0.110197 -0.067355 -0.064073 0.090466 22H 1s -0.019274 0.093357 -0.052887 -0.029812 -0.086262 0.068455 22H 2s -0.469079 0.004430 -0.361300 -0.453216 -0.375670 0.592668 22H 3s 0.194584 -0.018710 0.145272 0.256848 0.231934 -0.367111 22H 1pz 0.202100 0.012803 0.133899 0.183090 0.155290 -0.215580 22H 1px -0.099511 -0.054319 -0.083115 -0.104788 -0.043147 0.137872 22H 1py -0.183647 0.082500 -0.127624 -0.166967 -0.178705 0.203066 23H 1s 0.090382 -0.030808 -0.014531 -0.025405 -0.043003 0.003805 23H 2s 0.021320 -0.052763 -0.261570 -0.003431 0.325740 0.139164 23H 3s -0.009831 0.019236 0.137093 0.086251 -0.096831 0.015498 23H 1pz -0.098870 0.072420 0.062127 0.093196 0.103372 0.046830 23H 1px -0.021193 0.030329 0.050420 0.011427 -0.065075 -0.032220 23H 1py -0.022483 0.023535 0.146641 0.021103 -0.142268 -0.053860 24H 1s 0.108987 -0.062855 -0.049632 -0.053541 -0.033944 0.025352 24H 2s -0.237339 0.233178 0.082188 0.386283 0.379805 0.256153 24H 3s 0.090045 -0.115258 -0.046607 -0.061004 -0.108257 -0.082038 24H 1pz 0.066551 -0.096380 -0.011080 -0.124719 -0.095711 -0.065828 24H 1px 0.082857 -0.083526 -0.036959 -0.125079 -0.133501 -0.099662 24H 1py -0.107618 0.048733 0.014214 0.088160 0.124414 0.073333 25H 1s 0.115675 -0.001197 -0.069029 -0.066135 -0.079519 -0.052528 25H 2s 0.402605 -0.204368 0.165771 -0.453212 -0.696667 -0.408349 25H 3s -0.209809 0.071647 -0.009669 0.305847 0.337658 0.243151 25H 1pz -0.236011 0.096121 -0.033383 0.226710 0.282779 0.160727 25H 1px 0.073490 -0.065698 0.106588 -0.123549 -0.243822 -0.157747 25H 1py -0.105944 0.023209 -0.028132 0.092265 0.129469 0.067691 26O 1s -0.001435 -0.000668 -0.002863 -0.007821 0.003707 -0.005726 26O 2s -0.002088 -0.001030 -0.009391 -0.022451 0.007903 -0.013164 26O 3s -0.086559 -0.012539 0.072172 0.047555 0.066101 -0.077833 26O 4s 0.614725 0.105215 -0.221322 0.421206 -0.672381 0.849460 26O 5s 0.392890 -0.513548 0.866184 0.952204 -0.533928 0.841336 26O 1pz 0.039818 0.056608 -0.072259 -0.005676 0.090153 -0.020186 26O 1px 0.004735 -0.045134 0.016156 -0.019406 0.021263 -0.028230 26O 1py 0.008811 0.053823 0.006606 -0.031422 0.050779 -0.025496 26O 2pz -0.191131 -0.107085 0.191305 -0.095525 -0.143281 -0.065395 26O 2px -0.385020 0.103261 -0.106929 -0.432971 0.358079 -0.559341 26O 2py -0.192125 -0.154866 -0.076027 -0.151441 0.083528 -0.244599 26O 3pz 0.011729 0.066519 0.338566 -0.092285 0.321483 -0.193223 26O 3px -0.263812 0.103662 0.172338 -0.439007 0.564346 -0.513718 26O 3py -0.109190 -0.055825 0.083999 -0.231630 0.492865 -0.258116 26O 1dz2 0.005531 0.004617 0.015255 0.010415 -0.011173 0.011220 26O 1dxz -0.003560 -0.001849 0.001550 -0.003985 0.011721 -0.010622 26O 1dyz -0.002648 -0.006596 -0.001202 -0.001352 0.013492 -0.001936 26O 1dx2y2 -0.005619 0.005607 -0.000185 -0.009062 0.007373 -0.016780 26O 1dxy -0.002993 0.001984 -0.000329 -0.008930 0.012680 -0.016886 26O 2dz2 -0.077044 0.023589 0.001905 -0.095186 0.108172 -0.152288 26O 2dxz 0.049688 0.017040 -0.067997 0.064859 0.017515 0.059092 26O 2dyz -0.013753 0.017439 -0.032139 0.001374 0.082210 -0.007781 26O 2dx2y2 0.120655 -0.089284 -0.036171 0.129878 -0.095834 0.126951 26O 2dxy 0.071325 0.114198 0.107083 0.090091 -0.107015 0.152490 26O 1f0 0.018584 -0.002028 0.000127 0.008297 -0.012917 -0.003140 26O 1f+1 0.015539 0.025287 -0.007944 -0.001648 0.010871 -0.002055 26O 1f-1 -0.009855 0.017002 -0.006329 -0.015224 0.021590 -0.016736 26O 1f+2 -0.021175 -0.002325 0.023392 0.002574 -0.010768 0.014702 26O 1f-2 -0.011352 0.013534 -0.020925 -0.011314 0.037541 -0.021622 26O 1f+3 -0.026961 0.024953 0.016379 -0.011311 0.013262 -0.000310 26O 1f-3 0.013633 -0.008037 -0.016598 0.021105 -0.007062 0.021153 27O 1s 0.001868 -0.001209 -0.002056 -0.002840 0.003036 0.006076 27O 2s 0.004525 -0.003939 -0.006917 -0.004780 0.005430 0.015224 27O 3s 0.023828 -0.017095 0.050181 -0.082153 0.108013 0.036616 27O 4s -0.285067 0.263745 -0.194164 0.620604 -0.849112 -0.743609 27O 5s -0.719770 0.426470 0.399844 0.367470 -0.411803 -0.497888 27O 1pz 0.015236 0.002267 0.079812 -0.012559 -0.015401 0.023013 27O 1px -0.037511 -0.032505 -0.000928 0.001653 0.042230 0.050994 27O 1py -0.050741 -0.062719 -0.078485 0.027868 0.004360 -0.000844 27O 2pz -0.029627 0.002881 -0.219532 0.055742 0.030386 -0.080075 27O 2px 0.356845 -0.176948 -0.092910 -0.393521 0.452846 0.425015 27O 2py 0.066806 0.289482 0.204630 0.012037 -0.164469 -0.147495 27O 3pz 0.053048 0.129630 0.116893 -0.028673 0.094832 0.149388 27O 3px 0.130145 -0.244962 0.199665 -0.263847 0.595428 0.555834 27O 3py 0.132457 0.035553 -0.420777 0.145807 -0.223552 -0.341795 27O 1dz2 0.004319 0.004243 -0.012152 0.009478 -0.000492 -0.007233 27O 1dxz -0.002687 0.005150 0.001720 0.001822 -0.003629 -0.000374 27O 1dyz -0.003656 -0.009228 -0.011170 0.007347 -0.002595 -0.009433 27O 1dx2y2 0.011689 -0.000663 -0.005194 -0.008493 0.014337 0.015470 27O 1dxy -0.005648 -0.005227 -0.010342 0.010523 -0.008420 -0.012991 27O 2dz2 0.081394 -0.020584 -0.079517 -0.061034 0.113173 0.073327 27O 2dxz -0.014521 -0.093525 0.136101 -0.032664 0.000365 0.055796 27O 2dyz -0.033639 0.011017 -0.078276 0.055853 -0.047901 -0.068493 27O 2dx2y2 -0.113065 0.029627 0.011660 0.147723 -0.166666 -0.141442 27O 2dxy -0.069917 -0.119073 -0.083764 -0.014722 0.061357 0.084237 27O 1f0 -0.016964 0.033881 -0.016906 0.012742 -0.024845 -0.011051 27O 1f+1 0.014071 0.021101 -0.002129 0.004664 -0.011953 -0.027785 27O 1f-1 0.001986 0.002464 0.002146 -0.009470 -0.000334 -0.009114 27O 1f+2 -0.002873 -0.010991 0.019150 -0.000874 -0.001065 0.003095 27O 1f-2 -0.019863 -0.017448 -0.013424 0.020456 -0.004352 -0.011037 27O 1f+3 0.014546 0.008773 0.025091 -0.012547 -0.001207 0.006284 27O 1f-3 0.026194 -0.015184 0.006329 -0.012085 0.031398 0.013664 28O 1s -0.004536 0.001932 -0.002312 -0.003876 0.005919 -0.006038 28O 2s -0.014072 0.007132 -0.007152 -0.008338 0.016561 -0.015406 28O 3s 0.062728 -0.028089 0.033546 -0.054457 -0.001031 -0.017731 28O 4s 0.068461 -0.104287 -0.103349 0.553215 -0.543851 0.509035 28O 5s 0.566304 -0.527353 0.561642 0.160551 -0.398326 0.718128 28O 1pz -0.084736 -0.007938 0.067044 -0.019805 0.016211 -0.050510 28O 1px -0.022817 -0.027212 0.040731 0.032633 -0.104911 0.047080 28O 1py -0.072298 -0.042659 0.027957 -0.002344 -0.011726 0.012728 28O 2pz 0.073412 0.193747 -0.296577 -0.173531 0.315193 -0.174066 28O 2px 0.181071 -0.076082 -0.005485 0.219630 -0.118263 0.275123 28O 2py 0.155136 0.178677 -0.080573 -0.027419 0.089486 -0.076788 28O 3pz -0.257779 -0.107925 0.264736 -0.266913 0.450594 -0.401686 28O 3px 0.150449 -0.182695 -0.026881 0.179531 -0.358702 0.322760 28O 3py -0.114679 0.011955 0.363349 -0.136232 0.051468 -0.118598 28O 1dz2 -0.004143 -0.008989 0.001860 0.001791 -0.004610 0.002653 28O 1dxz 0.011764 -0.006343 -0.002620 0.011303 -0.008297 0.014608 28O 1dyz -0.008695 -0.006762 0.013412 -0.011153 -0.002826 -0.003678 28O 1dx2y2 -0.011878 -0.005321 -0.011289 -0.011930 0.019833 -0.012934 28O 1dxy -0.004883 0.001772 0.005711 -0.005955 0.002350 -0.006884 28O 2dz2 -0.081252 -0.009707 0.105524 -0.036063 -0.012129 -0.031850 28O 2dxz 0.000324 0.000930 -0.111069 -0.095391 0.129229 -0.128131 28O 2dyz -0.096620 -0.065244 0.043728 -0.050123 0.031486 -0.005170 28O 2dx2y2 0.074932 -0.052017 -0.043166 0.097518 -0.062077 0.110492 28O 2dxy 0.064136 0.070896 0.047620 -0.019102 -0.029634 -0.045565 28O 1f0 -0.004094 -0.021979 -0.006571 0.000341 -0.006913 -0.003356 28O 1f+1 0.026152 -0.024104 -0.008139 0.026266 -0.041824 0.019429 28O 1f-1 -0.013216 0.005700 -0.004059 -0.013545 0.011005 -0.020597 28O 1f+2 0.013103 0.008917 -0.007207 0.005796 0.013345 -0.012744 28O 1f-2 0.014295 0.011505 -0.005081 0.011641 -0.006022 0.008606 28O 1f+3 0.020679 -0.013485 -0.021759 0.006418 0.001354 0.000813 28O 1f-3 0.023443 -0.015112 0.010503 0.010468 -0.043738 0.005511 29O 1s 0.004552 0.001986 -0.014271 -0.001720 -0.004937 -0.003634 29O 2s 0.017892 0.007315 -0.054666 -0.006945 -0.017622 -0.015969 29O 3s -0.187032 -0.067144 0.545295 0.076198 0.148935 0.202682 29O 4s 0.438683 0.162295 -1.276293 -0.182862 -0.386217 -0.501817 29O 5s -0.303104 -0.235277 1.136742 0.096030 0.869731 0.065075 29O 1pz -0.086242 -0.212822 -0.038388 0.227488 -0.028120 0.001340 29O 1px -0.050221 -0.085911 0.020913 0.095278 0.008972 0.043177 29O 1py 0.043887 0.013307 -0.070661 -0.029918 0.032815 -0.073811 29O 2pz 0.447403 0.973110 0.165236 -1.064793 0.108073 -0.016835 29O 2px 0.232799 0.370833 -0.052462 -0.430042 0.034940 -0.168961 29O 2py -0.170349 -0.083631 0.259082 0.144759 -0.087888 0.261099 29O 3pz -0.036257 -0.121429 0.104545 0.079681 0.047176 0.034485 29O 3px 0.104174 0.017729 -0.366021 -0.016722 -0.180733 -0.073100 29O 3py 0.045183 0.035287 -0.191398 -0.012280 -0.104161 0.001809 29O 1dz2 -0.003897 -0.000938 0.002319 -0.000159 -0.000179 0.001861 29O 1dxz 0.007815 0.006426 -0.006260 -0.004433 -0.001000 -0.002598 29O 1dyz 0.007842 0.017891 0.002916 -0.014153 -0.002202 0.001922 29O 1dx2y2 -0.004774 0.002678 0.022895 0.001145 0.001393 0.012129 29O 1dxy 0.008611 0.002540 -0.008518 -0.004590 0.009457 -0.011036 29O 2dz2 -0.107831 -0.261132 -0.110780 0.280373 -0.028990 -0.042075 29O 2dxz 0.172375 0.269053 -0.047138 -0.304813 0.033623 -0.083022 29O 2dyz -0.189503 -0.377419 -0.057421 0.435113 -0.050976 0.029440 29O 2dx2y2 0.015250 0.080653 0.080524 -0.076186 0.003225 0.047454 29O 2dxy -0.113775 -0.185890 0.039629 0.217350 -0.009649 0.055418 29O 1f0 -0.008066 -0.025245 -0.022943 0.028431 -0.010226 -0.006474 29O 1f+1 -0.024510 -0.036422 0.004737 0.039246 0.001690 0.005058 29O 1f-1 -0.011322 -0.045871 -0.028783 0.046805 -0.002688 -0.011498 29O 1f+2 0.012411 0.017894 0.004424 -0.019501 0.009220 -0.002803 29O 1f-2 0.036227 0.079051 0.002533 -0.085318 0.002958 -0.009107 29O 1f+3 -0.011440 -0.023376 -0.007279 0.023692 -0.000389 -0.001445 29O 1f-3 -0.029140 -0.033059 0.024689 0.041488 -0.016228 0.024417 30O 1s 0.005088 -0.001246 0.000304 -0.008046 0.005055 0.005281 30O 2s 0.016138 -0.004338 0.000085 -0.024393 0.013811 0.013706 30O 3s -0.071822 0.022716 0.059986 0.088612 -0.012000 0.010719 30O 4s -0.031677 0.026770 -0.507201 0.226181 -0.358766 -0.509602 30O 5s -0.716908 0.592284 0.506799 0.749475 -0.348583 -0.132412 30O 1pz 0.033087 -0.030821 -0.012811 -0.018730 0.067390 0.037005 30O 1px -0.026431 -0.074838 -0.081523 0.053117 -0.016593 -0.047552 30O 1py 0.019567 0.095695 0.034499 0.012507 -0.069070 -0.036139 30O 2pz 0.039831 0.015560 0.144700 -0.178308 -0.005645 0.101411 30O 2px -0.088705 0.231425 0.077985 0.144175 -0.183439 -0.161909 30O 2py -0.249640 -0.175907 -0.209685 0.223794 -0.029652 -0.108056 30O 3pz -0.144633 -0.282590 0.320463 -0.186774 0.345777 0.348879 30O 3px -0.169390 0.094947 -0.065469 0.269456 -0.245154 -0.142279 30O 3py 0.029336 0.210425 -0.224387 0.216949 -0.529833 -0.387303 30O 1dz2 -0.009014 0.000386 0.000020 0.006784 -0.008129 -0.002126 30O 1dxz -0.013414 -0.001050 0.005202 0.009633 -0.014031 -0.007361 30O 1dyz -0.000167 0.006891 -0.006473 0.002465 -0.010509 -0.014298 30O 1dx2y2 0.001388 -0.006751 0.004719 -0.008258 0.003576 0.011810 30O 1dxy 0.004155 -0.007639 0.001283 -0.011323 0.007312 0.004161 30O 2dz2 0.088528 -0.007191 -0.007574 -0.014424 0.059712 0.036130 30O 2dxz -0.048042 -0.072173 0.046359 -0.069887 0.028807 0.078454 30O 2dyz 0.026609 0.080889 -0.002527 -0.052004 -0.031785 -0.018663 30O 2dx2y2 -0.010875 0.096491 0.012324 0.024905 -0.084144 -0.057173 30O 2dxy -0.094692 -0.029599 0.009218 0.073721 -0.098249 -0.082730 30O 1f0 -0.013859 -0.004759 0.005999 0.013857 -0.019014 -0.022952 30O 1f+1 -0.034047 0.001312 -0.029598 0.015933 -0.021007 -0.009907 30O 1f-1 0.000259 0.021712 -0.000367 0.002408 -0.014059 -0.015456 30O 1f+2 -0.003043 0.039532 -0.002101 0.010114 -0.021168 -0.012455 30O 1f-2 0.003927 0.003048 0.013563 -0.012381 0.004998 0.006006 30O 1f+3 -0.019809 0.007803 -0.034398 0.007473 -0.019509 -0.025392 30O 1f-3 0.005226 0.006021 0.041353 -0.013705 -0.008256 0.001022 31O 1s 0.004943 -0.001456 0.000129 0.008387 0.004422 -0.007391 31O 2s 0.015666 -0.005046 -0.000430 0.025297 0.011938 -0.019793 31O 3s -0.069270 0.027720 0.061377 -0.087321 -0.006451 0.001569 31O 4s -0.032502 0.017262 -0.499834 -0.264263 -0.334800 0.576850 31O 5s -0.701664 0.609043 0.522456 -0.766585 -0.289547 0.575897 31O 1pz -0.032283 0.032590 0.013697 -0.023266 -0.066029 0.034817 31O 1px 0.025514 0.072580 0.080600 0.056671 0.013183 -0.072929 31O 1py -0.018774 -0.094811 -0.034604 0.016791 0.068873 -0.033262 31O 2pz -0.039263 -0.018495 -0.141580 -0.182580 0.021142 0.203913 31O 2px 0.087536 -0.227121 -0.082554 0.154896 0.167968 -0.219321 31O 2py 0.243425 0.171273 0.202997 0.231221 0.008789 -0.208173 31O 3pz 0.141390 0.279981 -0.316507 -0.219911 -0.332592 0.339799 31O 3px 0.166320 -0.100942 0.059092 0.290308 0.225202 -0.267437 31O 3py -0.026343 -0.208455 0.219281 0.260529 0.513515 -0.318864 31O 1dz2 -0.008653 0.000656 0.000184 -0.007426 -0.007454 0.002407 31O 1dxz -0.013315 -0.001023 0.005471 -0.010622 -0.013154 0.010188 31O 1dyz -0.000210 0.006746 -0.006431 -0.003111 -0.010202 0.010222 31O 1dx2y2 0.001349 -0.006566 0.004585 0.008765 0.002934 -0.019099 31O 1dxy 0.004029 -0.007588 0.000934 0.011823 0.006258 -0.008806 31O 2dz2 0.087208 -0.007597 -0.008998 0.017960 0.058331 -0.033555 31O 2dxz -0.047434 -0.069836 0.045349 0.073732 0.022882 -0.132593 31O 2dyz 0.025951 0.078326 -0.003947 0.050409 -0.035988 -0.024900 31O 2dx2y2 -0.010727 0.095464 0.012613 -0.031405 -0.081675 0.060906 31O 2dxy -0.093088 -0.029460 0.011890 -0.080227 -0.090772 0.110187 31O 1f0 0.013889 0.004509 -0.006387 0.015092 0.017744 -0.029296 31O 1f+1 0.033135 -0.002070 0.029024 0.018365 0.019832 -0.010645 31O 1f-1 -0.000444 -0.021430 0.000164 0.003371 0.013556 -0.019020 31O 1f+2 0.002834 -0.039016 0.001885 0.012043 0.020330 -0.020338 31O 1f-2 -0.003645 -0.002743 -0.013422 -0.013051 -0.004081 0.010208 31O 1f+3 0.019329 -0.008343 0.034169 0.009853 0.019035 -0.025247 31O 1f-3 -0.004837 -0.005318 -0.041133 -0.014356 0.008951 0.007604 32O 1s 0.004723 0.002104 -0.014290 0.001157 -0.005005 -0.001665 32O 2s 0.018473 0.007754 -0.054735 0.004893 -0.017914 -0.003293 32O 3s -0.191553 -0.071432 0.545930 -0.058101 0.152542 -0.029532 32O 4s 0.447881 0.172059 -1.277580 0.138100 -0.395025 0.111872 32O 5s -0.319409 -0.242486 1.137298 -0.011733 0.870314 0.409674 32O 1pz 0.088155 0.213339 0.029953 0.229760 0.014401 0.021949 32O 1px 0.049988 0.085077 -0.023990 0.093262 -0.014927 0.050630 32O 1py -0.040851 -0.007612 0.071686 -0.023900 -0.030643 -0.076534 32O 2pz -0.455174 -0.975418 -0.127117 -1.073955 -0.042486 -0.105392 32O 2px -0.231627 -0.367450 0.066708 -0.427392 -0.007532 -0.216249 32O 2py 0.156968 0.059595 -0.264513 0.117909 0.077355 0.255881 32O 3pz 0.038200 0.122113 -0.108480 0.074071 -0.051522 0.006446 32O 3px -0.105362 -0.020147 0.365023 0.001585 0.180351 0.062219 32O 3py -0.049052 -0.033281 0.191888 0.003228 0.103935 0.085921 32O 1dz2 -0.004136 -0.001430 0.002190 -0.000304 -0.000102 -0.001732 32O 1dxz 0.007602 0.006189 -0.006242 0.004044 -0.001331 0.000865 32O 1dyz 0.007892 0.017998 0.002946 0.014133 -0.002968 -0.003104 32O 1dx2y2 -0.004786 0.002310 0.022843 -0.000911 0.001421 -0.006333 32O 1dxy 0.008348 0.002512 -0.008418 0.004842 0.009184 0.016041 32O 2dz2 -0.099760 -0.242620 -0.100436 -0.262309 -0.010131 0.010734 32O 2dxz 0.177612 0.278629 -0.055561 0.316222 0.014684 0.095544 32O 2dyz -0.192882 -0.383761 -0.047027 -0.444611 -0.023495 -0.069809 32O 2dx2y2 0.021608 0.090871 0.078389 0.089348 -0.001060 -0.028169 32O 2dxy -0.109697 -0.177444 0.045932 -0.207643 0.004714 -0.048642 32O 1f0 0.007673 0.023034 0.020302 0.027192 0.008220 0.003260 32O 1f+1 0.025796 0.038444 -0.006514 0.041183 -0.004424 0.004569 32O 1f-1 0.011380 0.046109 0.028353 0.047901 -0.000093 -0.003980 32O 1f+2 -0.011565 -0.017563 -0.005428 -0.019602 -0.007710 -0.006617 32O 1f-2 -0.036497 -0.079268 -0.000602 -0.085395 0.002080 -0.010476 32O 1f+3 0.010076 0.020587 0.007047 0.020648 -0.001409 0.001256 32O 1f-3 0.029064 0.033364 -0.025473 0.041937 0.013849 0.029741 33O 1s -0.004603 0.002190 -0.002333 0.004363 0.005601 0.004432 33O 2s -0.014266 0.007971 -0.007141 0.009742 0.015846 0.011247 33O 3s 0.063308 -0.033513 0.031440 0.052183 -0.004677 0.021138 33O 4s 0.071214 -0.095033 -0.091449 -0.586457 -0.501521 -0.472713 33O 5s 0.571553 -0.545813 0.561802 -0.182073 -0.384147 -0.366464 33O 1pz 0.085385 0.008132 -0.067011 -0.022285 -0.014254 -0.031773 33O 1px 0.022357 0.029962 -0.040436 0.040162 0.102557 0.045922 33O 1py 0.070695 0.042631 -0.027726 -0.001814 0.011941 0.017774 33O 2pz -0.073767 -0.197569 0.300473 -0.189991 -0.302247 -0.138719 33O 2px -0.183223 0.071848 0.000077 0.225800 0.100439 0.186626 33O 2py -0.149918 -0.179986 0.080363 -0.033027 -0.087619 -0.069131 33O 3pz 0.262161 0.109175 -0.262349 -0.299674 -0.428127 -0.398381 33O 3px -0.151957 0.187934 0.025350 0.206343 0.344941 0.238347 33O 3py 0.115714 -0.006219 -0.361721 -0.147087 -0.039879 -0.122790 33O 1dz2 -0.003870 -0.008722 0.001774 -0.002129 -0.004337 -0.000702 33O 1dxz 0.011737 -0.006391 -0.002364 -0.012074 -0.007371 -0.007549 33O 1dyz -0.008903 -0.006841 0.013183 0.011311 -0.003644 0.005458 33O 1dx2y2 -0.011907 -0.005056 -0.011380 0.013043 0.019042 0.011075 33O 1dxy -0.004857 0.001892 0.005650 0.006240 0.001941 0.007041 33O 2dz2 -0.082412 -0.010078 0.105217 0.036620 -0.014281 0.033745 33O 2dxz 0.000164 0.001769 -0.113311 0.102089 0.121967 0.086179 33O 2dyz -0.094896 -0.067321 0.042220 0.052536 0.027434 0.021241 33O 2dx2y2 0.075628 -0.050605 -0.041432 -0.102703 -0.053810 -0.073525 33O 2dxy 0.061847 0.069790 0.047871 0.017955 -0.031662 0.024704 33O 1f0 0.004509 0.022232 0.006702 0.000982 0.006710 -0.001526 33O 1f+1 -0.026254 0.024722 0.007764 0.029229 0.039635 0.018473 33O 1f-1 0.012843 -0.005390 0.004475 -0.014017 -0.009846 -0.008664 33O 1f+2 -0.012491 -0.009382 0.006738 0.004672 -0.013971 -0.016945 33O 1f-2 -0.013860 -0.011513 0.004807 0.011979 0.005076 0.008458 33O 1f+3 -0.020263 0.013325 0.021719 0.006550 -0.001862 0.000902 33O 1f-3 -0.023357 0.016229 -0.010763 0.013421 0.043162 0.010414 34O 1s 0.001808 -0.001084 -0.002099 0.003013 0.002706 -0.008282 34O 2s 0.004353 -0.003429 -0.006942 0.005019 0.004706 -0.021283 34O 3s 0.024213 -0.022962 0.047480 0.091134 0.103267 -0.024394 34O 4s -0.281655 0.284305 -0.177677 -0.686599 -0.799560 0.802542 34O 5s -0.707831 0.418497 0.400363 -0.398997 -0.372504 0.965720 34O 1pz -0.014921 -0.002775 -0.079242 -0.013919 0.015964 0.040288 34O 1px 0.037241 0.030600 0.001196 -0.000754 -0.041402 0.060054 34O 1py 0.049206 0.060612 0.077742 0.030195 -0.006862 -0.020022 34O 2pz 0.028798 -0.001611 0.217236 0.059609 -0.033531 -0.125440 34O 2px -0.351965 0.187415 0.100892 -0.427454 -0.419278 0.555980 34O 2py -0.064228 -0.284514 -0.204129 0.018145 0.162942 -0.148735 34O 3pz -0.054518 -0.123674 -0.114042 -0.035780 -0.091916 0.106807 34O 3px -0.127944 0.251586 -0.194239 -0.311639 -0.570813 0.645145 34O 3py -0.129875 -0.043035 0.415323 0.170365 0.211072 -0.318543 34O 1dz2 0.004330 0.004181 -0.011910 -0.009910 0.000208 0.011268 34O 1dxz -0.002644 0.004964 0.001822 -0.001971 -0.003465 0.000113 34O 1dyz -0.003578 -0.008942 -0.010915 -0.007603 -0.002080 0.006174 34O 1dx2y2 0.011482 -0.001095 -0.005398 0.009356 0.013328 -0.021326 34O 1dxy -0.005519 -0.005172 -0.010134 -0.011423 -0.007598 0.015824 34O 2dz2 0.080084 -0.022834 -0.080941 0.067401 0.107256 -0.100900 34O 2dxz -0.015511 -0.093202 0.134579 0.035492 -0.002080 -0.072420 34O 2dyz -0.032600 0.013749 -0.076512 -0.060870 -0.043602 0.071602 34O 2dx2y2 -0.111588 0.033688 0.015152 -0.160814 -0.154690 0.189779 34O 2dxy -0.068704 -0.116372 -0.083451 0.017094 0.059729 -0.121492 34O 1f0 0.016382 -0.033866 0.016501 0.015079 0.023817 -0.015268 34O 1f+1 -0.013826 -0.020800 0.002187 0.005457 0.011303 -0.033763 34O 1f-1 -0.001856 -0.002339 -0.002132 -0.009600 0.000982 -0.006747 34O 1f+2 0.003133 0.010674 -0.018916 -0.000960 0.001074 -0.001913 34O 1f-2 0.019457 0.016605 0.012993 0.021380 0.002872 -0.023921 34O 1f+3 -0.014240 -0.007691 -0.024799 -0.013361 0.001894 0.013731 34O 1f-3 -0.025612 0.015342 -0.005796 -0.014449 -0.030360 0.009456 35O 1s -0.001470 -0.000719 -0.003015 0.008002 0.003088 0.003748 35O 2s -0.002177 -0.001321 -0.009863 0.022681 0.006125 0.007903 35O 3s -0.086419 -0.007166 0.074211 -0.039290 0.070061 0.077461 35O 4s 0.616432 0.079980 -0.219248 -0.480684 -0.639971 -0.732175 35O 5s 0.401069 -0.514474 0.883027 -0.973807 -0.469543 -0.408316 35O 1pz -0.039071 -0.058977 0.071625 -0.011223 -0.090690 -0.031166 35O 1px -0.004933 0.046465 -0.016136 -0.020650 -0.019638 -0.021792 35O 1py -0.010023 -0.052846 -0.005889 -0.034763 -0.047770 -0.023755 35O 2pz 0.188771 0.112235 -0.187960 -0.086739 0.153255 -0.010305 35O 2px 0.386490 -0.116930 0.113692 -0.460058 -0.325330 -0.398635 35O 2py 0.197890 0.147389 0.077169 -0.158051 -0.074649 -0.172089 35O 3pz -0.008208 -0.071717 -0.340772 -0.123296 -0.313076 -0.299609 35O 3px 0.271349 -0.106732 -0.167249 -0.484580 -0.531997 -0.446262 35O 3py 0.111598 0.050006 -0.083433 -0.268869 -0.476816 -0.325192 35O 1dz2 0.005444 0.004200 0.015425 -0.010829 -0.010280 -0.006982 35O 1dxz -0.003673 -0.001939 0.001603 0.004869 0.011331 0.011915 35O 1dyz -0.002578 -0.006331 -0.001069 0.002300 0.013276 0.006939 35O 1dx2y2 -0.005530 0.005645 -0.000417 0.009415 0.006426 0.012612 35O 1dxy -0.003206 0.002351 -0.000423 0.010008 0.012121 0.014470 35O 2dz2 -0.079432 0.026512 0.001215 0.104353 0.101032 0.116503 35O 2dxz 0.048405 0.018280 -0.067282 -0.064991 0.023306 -0.026915 35O 2dyz -0.013729 0.021307 -0.031781 0.004293 0.082839 0.028645 35O 2dx2y2 0.118199 -0.092456 -0.033548 -0.138152 -0.084946 -0.074744 35O 2dxy 0.074973 0.110707 0.107332 -0.097545 -0.102340 -0.112361 35O 1f0 -0.018386 0.002295 -0.000627 0.009237 0.012321 -0.004026 35O 1f+1 -0.014914 -0.025980 0.007573 -0.002496 -0.010463 -0.000577 35O 1f-1 0.010176 -0.017616 0.006413 -0.016537 -0.020393 -0.012059 35O 1f+2 0.020795 0.002654 -0.023203 0.003293 0.010699 0.012541 35O 1f-2 0.011484 -0.014496 0.021043 -0.013796 -0.037114 -0.019140 35O 1f+3 0.026202 -0.025096 -0.015918 -0.012179 -0.012059 0.001179 35O 1f-3 -0.013559 0.007863 0.016405 0.021685 0.004893 0.012476 570 571 572 573 574 575 3.89431 3.92093 3.92422 3.93043 3.93759 3.94470 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s 0.018761 -0.001417 0.000587 0.000492 -0.000818 -0.003498 0Rh 2s -0.164923 0.013110 -0.005641 -0.004578 0.005925 0.029493 0Rh 3s 0.012662 -0.000569 0.000109 0.000178 -0.001319 -0.003131 0Rh 4s 0.913581 -0.072701 0.031239 0.025358 -0.033044 -0.163982 0Rh 5s -2.061265 0.166799 -0.072509 -0.058232 0.070527 0.367007 0Rh 6s 1.882536 -0.162605 0.074580 0.056861 -0.046001 -0.315475 0Rh 7s -1.859188 0.248035 -0.125064 -0.094567 -0.121302 0.086780 0Rh 8s 0.247479 -0.045348 -0.016734 -0.125646 0.074424 0.085013 0Rh 1pz -0.001286 0.001015 0.002225 -0.000395 -0.000016 0.003009 0Rh 1px 0.005950 0.000596 0.001976 -0.001008 -0.001625 -0.002539 0Rh 1py -0.000361 -0.000363 -0.001507 0.003079 -0.001490 0.000091 0Rh 2pz 0.004661 -0.003953 -0.008581 0.001468 0.000132 -0.011630 0Rh 2px -0.022578 -0.002277 -0.007755 0.003691 0.006140 0.009605 0Rh 2py 0.001014 0.001365 0.005713 -0.011782 0.005824 -0.000540 0Rh 3pz -0.003283 0.008655 0.016950 -0.001558 -0.001698 0.022966 0Rh 3px 0.038376 0.003927 0.018295 -0.003297 -0.009482 -0.015379 0Rh 3py 0.006535 -0.002027 -0.009128 0.021966 -0.013164 0.005229 0Rh 4pz -0.025036 -0.002152 0.003236 -0.007557 0.005974 0.009988 0Rh 4px 0.026106 0.004550 -0.010352 -0.017238 -0.014231 -0.016925 0Rh 4py -0.042389 -0.003246 -0.011876 0.006726 0.004956 -0.019046 0Rh 5pz 0.049538 -0.011452 -0.038827 0.027193 -0.009150 -0.099192 0Rh 5px -0.083183 -0.026117 -0.009349 0.035121 0.054854 0.056367 0Rh 5py 0.111190 0.011681 0.046225 -0.044709 0.013430 0.041357 0Rh 6pz 0.277399 0.032078 -0.069308 -0.184027 -0.030708 0.670156 0Rh 6px -0.520143 0.170055 0.019584 0.215139 -0.152623 0.077721 0Rh 6py -0.057367 -0.111470 -0.049510 -0.021883 -0.059182 -0.134347 0Rh 1dz2 -0.008993 0.038441 0.000505 -0.010636 0.002795 -0.013953 0Rh 1dxz -0.044425 0.025180 0.005676 0.006913 -0.004676 0.069520 0Rh 1dyz 0.032452 0.000228 0.017249 -0.017059 -0.010159 0.072425 0Rh 1dx2y2 0.055259 0.030230 0.011405 -0.003583 -0.007295 0.026551 0Rh 1dxy -0.078646 0.008966 0.007184 0.055376 -0.006049 0.010402 0Rh 2dz2 -0.001105 0.005801 0.000150 -0.001466 0.000540 -0.001951 0Rh 2dxz -0.007167 0.003736 0.000682 0.000836 -0.000320 0.009600 0Rh 2dyz 0.005162 -0.000673 0.003005 -0.002812 -0.001218 0.009784 0Rh 2dx2y2 0.009176 0.004674 0.001339 -0.000142 -0.001261 0.003205 0Rh 2dxy -0.011228 0.000935 0.001220 0.007473 -0.000718 0.000708 0Rh 3dz2 0.038469 -0.170045 -0.002651 0.046489 -0.012941 0.061247 0Rh 3dxz 0.197180 -0.111061 -0.024279 -0.029541 0.018962 -0.304522 0Rh 3dyz -0.144155 0.002196 -0.078145 0.076686 0.043615 -0.316467 0Rh 3dx2y2 -0.246090 -0.134442 -0.048712 0.014019 0.033092 -0.114657 0Rh 3dxy 0.344592 -0.037844 -0.032455 -0.241457 0.025926 -0.042174 0Rh 4dz2 -0.047911 0.236855 0.004851 -0.065438 0.018945 -0.086060 0Rh 4dxz -0.268944 0.153816 0.032536 0.038813 -0.023963 0.422897 0Rh 4dyz 0.201614 -0.006384 0.111292 -0.109138 -0.059541 0.440834 0Rh 4dx2y2 0.334558 0.189434 0.064626 -0.014906 -0.047704 0.159963 0Rh 4dxy -0.479745 0.050818 0.046945 0.332013 -0.035025 0.053988 0Rh 5dz2 -0.034489 -0.193964 -0.001056 0.075824 -0.012225 0.071392 0Rh 5dxz 0.135283 -0.115405 -0.026128 -0.022449 0.016393 -0.343551 0Rh 5dyz -0.185037 -0.020534 -0.074627 0.100468 0.059736 -0.420069 0Rh 5dx2y2 -0.149745 -0.168583 -0.036887 -0.021523 0.042925 -0.168948 0Rh 5dxy 0.447705 -0.051270 -0.045489 -0.272604 0.029908 -0.060955 0Rh 1f0 -0.022662 -0.000789 0.009173 -0.003538 0.001364 -0.004833 0Rh 1f+1 0.025418 -0.001587 0.005250 -0.010572 0.000380 -0.017023 0Rh 1f-1 0.011966 0.002986 -0.002001 -0.000520 -0.001675 0.005278 0Rh 1f+2 0.024598 -0.000640 0.002253 -0.004504 -0.002769 -0.006414 0Rh 1f-2 0.023856 -0.003509 -0.001417 -0.006553 -0.001839 0.004824 0Rh 1f+3 0.029410 -0.006716 0.000324 -0.004162 -0.001799 -0.009458 0Rh 1f-3 0.037440 -0.000155 -0.007515 -0.005266 -0.001975 -0.003190 1Rh 1s 0.019119 -0.001451 -0.000310 -0.000664 -0.000839 -0.003403 1Rh 2s -0.168222 0.013442 0.003053 0.006059 0.006132 0.028582 1Rh 3s 0.012813 -0.000568 -0.000012 -0.000318 -0.001318 -0.003117 1Rh 4s 0.931827 -0.074537 -0.016893 -0.033582 -0.034191 -0.158932 1Rh 5s -2.102882 0.171109 0.039497 0.076724 0.073248 0.355257 1Rh 6s 1.922473 -0.167243 -0.041886 -0.073284 -0.049054 -0.303367 1Rh 7s -1.910954 0.256194 0.068721 0.106151 -0.116041 0.066945 1Rh 8s 0.171938 -0.046568 0.029201 0.127072 0.069458 0.089004 1Rh 1pz 0.000470 -0.000766 0.002281 -0.000457 0.000194 -0.003318 1Rh 1px -0.005558 -0.000362 0.002114 -0.000935 0.001785 0.002269 1Rh 1py -0.002638 0.000131 -0.001510 0.003096 0.001424 -0.000232 1Rh 2pz -0.001542 0.002991 -0.008802 0.001704 -0.000820 0.012829 1Rh 2px 0.021148 0.001362 -0.008283 0.003415 -0.006772 -0.008542 1Rh 2py 0.010441 -0.000482 0.005729 -0.011850 -0.005571 0.001095 1Rh 3pz -0.002411 -0.006716 0.017573 -0.001938 0.003162 -0.025500 1Rh 3px -0.037206 -0.001826 0.019177 -0.002855 0.011002 0.012774 1Rh 3py -0.027379 0.000466 -0.009321 0.022138 0.012721 -0.006607 1Rh 4pz 0.022598 0.002280 0.002402 -0.008077 -0.006245 -0.009542 1Rh 4px -0.018949 -0.005558 -0.009243 -0.016762 0.013183 0.018832 1Rh 4py 0.033086 0.002207 -0.011005 0.006557 -0.005216 0.020146 1Rh 5pz -0.036368 0.007763 -0.037279 0.029502 0.007281 0.102232 1Rh 5px 0.068195 0.024788 -0.015044 0.033638 -0.054757 -0.056384 1Rh 5py -0.059573 -0.006621 0.043719 -0.044582 -0.012333 -0.041643 1Rh 6pz -0.234409 -0.038250 -0.084378 -0.195661 0.026900 -0.658122 1Rh 6px 0.441081 -0.169794 0.049844 0.210562 0.144310 -0.076307 1Rh 6py 0.118901 0.106960 -0.048028 -0.018235 0.061695 0.137708 1Rh 1dz2 -0.012184 0.038624 -0.003778 0.010197 0.003201 -0.014454 1Rh 1dxz -0.036518 0.023896 -0.007280 -0.005553 -0.005934 0.071985 1Rh 1dyz 0.015008 -0.002097 -0.015250 0.017301 -0.012410 0.073879 1Rh 1dx2y2 0.049904 0.028449 -0.012490 0.003538 -0.008747 0.028273 1Rh 1dxy -0.038939 0.009260 -0.009298 -0.055297 -0.005393 0.011654 1Rh 2dz2 -0.001643 0.005802 -0.000647 0.001404 0.000561 -0.001968 1Rh 2dxz -0.006246 0.003560 -0.000902 -0.000627 -0.000491 0.009933 1Rh 2dyz 0.002369 -0.001052 -0.002670 0.002854 -0.001575 0.010019 1Rh 2dx2y2 0.008578 0.004443 -0.001523 0.000119 -0.001462 0.003433 1Rh 2dxy -0.005862 0.000945 -0.001511 -0.007453 -0.000656 0.000883 1Rh 3dz2 0.052733 -0.170723 0.017146 -0.044564 -0.014552 0.063186 1Rh 3dxz 0.163706 -0.105474 0.031268 0.023500 0.024449 -0.315287 1Rh 3dyz -0.066544 0.012607 0.069147 -0.077786 0.053688 -0.323019 1Rh 3dx2y2 -0.223456 -0.126739 0.053630 -0.013753 0.039449 -0.122152 1Rh 3dxy 0.172497 -0.038987 0.041711 0.241071 0.023184 -0.047669 1Rh 4dz2 -0.068097 0.237570 -0.025038 0.062726 0.020870 -0.088211 1Rh 4dxz -0.225878 0.146185 -0.041995 -0.030344 -0.031514 0.437792 1Rh 4dyz 0.093158 -0.021020 -0.098489 0.110718 -0.073898 0.450420 1Rh 4dx2y2 0.305546 0.179054 -0.071776 0.014525 -0.056480 0.170180 1Rh 4dxy -0.247403 0.052107 -0.059888 -0.331377 -0.031462 0.061669 1Rh 5dz2 -0.012531 -0.194828 0.016351 -0.072782 -0.013497 0.071974 1Rh 5dxz 0.115173 -0.109171 0.031651 0.015700 0.022950 -0.356738 1Rh 5dyz -0.091847 -0.010688 0.063810 -0.101660 0.071611 -0.429084 1Rh 5dx2y2 -0.138815 -0.161793 0.044534 0.020867 0.049657 -0.175871 1Rh 5dxy 0.273201 -0.051566 0.057285 0.271555 0.027303 -0.067479 1Rh 1f0 0.023880 0.001642 0.009474 -0.003557 -0.001144 0.004377 1Rh 1f+1 -0.024050 0.002205 0.005177 -0.010075 -0.000264 0.017129 1Rh 1f-1 -0.008238 -0.003129 -0.001936 -0.000491 0.001534 -0.005017 1Rh 1f+2 -0.021056 0.000870 0.002007 -0.004295 0.002824 0.006297 1Rh 1f-2 -0.017003 0.003539 -0.001996 -0.006489 0.001855 -0.004060 1Rh 1f+3 -0.027203 0.006717 -0.000217 -0.003806 0.001615 0.009857 1Rh 1f-3 -0.040581 -0.000612 -0.008076 -0.004874 0.001995 0.002942 2C 1s -0.001942 -0.001541 -0.002280 0.000612 -0.000596 -0.002797 2C 2s -0.004725 -0.004748 -0.006556 0.000921 -0.001508 -0.008931 2C 3s 0.065699 0.066596 0.068792 0.059509 -0.023674 0.114090 2C 4s -0.337312 -0.237615 -0.172171 -0.453662 0.285274 -0.268965 2C 5s -0.144733 -0.167271 0.014967 0.706240 -0.095404 -0.653892 2C 1pz 0.048765 0.057943 0.077642 -0.007947 0.041892 0.053420 2C 1px -0.007413 0.027186 0.037530 0.003190 0.018659 0.029437 2C 1py 0.027561 -0.017449 -0.022826 -0.000080 -0.036527 0.043913 2C 2pz -0.253740 -0.835640 -1.032873 -0.186654 -0.613667 -0.122879 2C 2px -0.019805 -0.682894 -0.827657 -0.145653 -0.205305 -0.802718 2C 2py 0.169631 0.970470 1.269728 -0.268295 1.225840 -0.232740 2C 3pz -0.084076 0.057405 0.146882 0.178372 0.105408 -0.167288 2C 3px -0.063841 0.094484 0.138869 0.061134 0.041213 0.049022 2C 3py -0.104311 -0.189424 -0.242315 0.090405 -0.196947 -0.105061 2C 1dz2 0.078615 0.016279 0.012263 -0.029504 0.005874 0.023542 2C 1dxz 0.072402 0.200315 0.243692 -0.015484 0.130660 0.101846 2C 1dyz 0.073256 -0.021595 -0.006216 -0.029151 0.036365 -0.074989 2C 1dx2y2 0.007061 0.018175 0.021253 -0.011150 0.070701 -0.111971 2C 1dxy -0.044196 -0.204546 -0.258572 0.013871 -0.212209 0.005339 2C 2dz2 -0.131849 -0.310899 -0.384850 0.011625 -0.270270 -0.065541 2C 2dxz -0.003244 0.013738 0.018553 0.003631 0.065199 -0.073396 2C 2dyz -0.040443 0.016971 0.014946 -0.104629 0.157378 -0.247804 2C 2dx2y2 0.005285 -0.148894 -0.175940 -0.010257 -0.079486 -0.109978 2C 2dxy -0.041096 -0.320740 -0.410953 -0.007166 -0.261266 -0.100671 2C 1f0 -0.050847 -0.239007 -0.302929 0.028221 -0.257193 0.034868 2C 1f+1 0.090159 -0.342440 -0.435000 0.006924 -0.302657 -0.176007 2C 1f-1 -0.073914 -0.072878 -0.105717 0.030651 -0.115699 0.061236 2C 1f+2 -0.020929 -0.257292 -0.340708 0.028649 -0.272209 0.053063 2C 1f-2 0.070820 0.009842 0.026296 -0.029039 0.084886 -0.161524 2C 1f+3 0.017409 0.096997 0.127854 -0.011759 0.155093 -0.172759 2C 1f-3 0.014883 0.068949 0.086402 -0.006335 0.084305 -0.087717 3C 1s -0.002323 0.002466 -0.001317 -0.003681 -0.001919 -0.001783 3C 2s -0.005791 0.007289 -0.004510 -0.009682 -0.005801 -0.004387 3C 3s 0.119496 -0.067357 0.102724 -0.026785 0.048906 -0.078116 3C 4s -0.847036 0.105715 -0.469541 0.754455 0.016296 0.873155 3C 5s -0.052823 0.337313 -0.279918 -0.597397 -0.255835 0.085578 3C 1pz 0.026976 0.008650 0.024988 -0.023888 -0.016459 -0.006560 3C 1px 0.036428 -0.011461 0.013116 0.010754 0.007962 0.025016 3C 1py -0.041984 0.077961 -0.045008 -0.095496 -0.073301 -0.024302 3C 2pz 0.252446 -1.031915 0.076824 1.521178 1.039381 0.408530 3C 2px -0.719124 -0.102684 -0.224051 0.486459 0.193414 -0.190900 3C 2py 0.574389 -0.882207 0.391527 0.693523 0.815153 -0.347543 3C 3pz -0.116477 0.214476 -0.120466 -0.305744 -0.210489 -0.016871 3C 3px 0.020004 0.039898 -0.009789 -0.116788 -0.065440 0.081854 3C 3py 0.086985 0.021261 0.096627 -0.078335 -0.061614 -0.067700 3C 1dz2 -0.022778 -0.107472 0.007594 0.167787 0.114649 0.011784 3C 1dxz 0.115099 0.051352 0.030803 -0.082651 -0.063004 0.068918 3C 1dyz 0.106375 -0.122879 0.030019 0.103304 0.111360 -0.000779 3C 1dx2y2 -0.130377 0.176041 -0.071562 -0.192296 -0.153566 -0.013047 3C 1dxy -0.106883 0.126260 -0.040852 -0.160962 -0.117215 -0.003265 3C 2dz2 0.216560 -0.432156 0.093926 0.489662 0.414534 0.050563 3C 2dxz -0.012480 -0.004527 -0.006433 -0.010514 -0.005217 0.053663 3C 2dyz 0.123845 -0.125257 0.138712 0.060899 0.107267 0.003900 3C 2dx2y2 0.029340 -0.093768 0.087828 0.042866 0.073031 -0.068298 3C 2dxy 0.246801 0.025314 0.078463 -0.121389 -0.046853 0.049713 3C 1f0 0.075219 0.041603 0.037134 -0.083228 -0.051731 0.024063 3C 1f+1 -0.013199 -0.130215 -0.006698 0.186837 0.129514 -0.016364 3C 1f-1 -0.067919 0.256981 -0.023563 -0.334599 -0.245770 -0.105094 3C 1f+2 -0.131668 0.006690 -0.000812 -0.012344 0.001732 -0.142173 3C 1f-2 0.114801 0.142158 0.020395 -0.220803 -0.148659 0.090706 3C 1f+3 -0.018573 0.250312 -0.034373 -0.380542 -0.253853 -0.159657 3C 1f-3 -0.122462 -0.265090 0.027742 0.400429 0.270235 0.049061 4C 1s 0.007482 -0.002409 -0.004165 -0.000459 -0.004730 -0.004218 4C 2s 0.013173 -0.006373 -0.011311 -0.000723 -0.012056 -0.010443 4C 3s 0.225415 0.047035 0.104288 -0.026044 0.039938 -0.018217 4C 4s -1.361936 0.055496 -0.010678 0.013740 0.254330 0.555408 4C 5s 0.101945 -0.224492 -0.233217 -0.464192 0.032254 0.006632 4C 1pz -0.013968 -0.047459 -0.061131 0.066919 -0.084213 -0.045674 4C 1px 0.007967 -0.037554 -0.057015 0.010245 -0.023517 -0.023947 4C 1py 0.013969 0.062117 0.080543 0.035587 0.049103 -0.029850 4C 2pz -0.399828 0.025844 0.054630 -0.428376 0.519497 -0.186959 4C 2px -0.419439 0.145586 0.243052 -0.094226 0.209012 0.175083 4C 2py -0.512748 -0.585482 -0.735954 -0.222314 -0.273479 -0.073177 4C 3pz -0.350901 -0.184521 0.024155 0.399350 0.050612 -0.560526 4C 3px 0.034569 -0.052513 0.015085 0.098779 -0.022931 -0.057309 4C 3py -0.201453 -0.138186 0.103116 0.329982 0.044610 -0.352102 4C 1dz2 -0.009773 -0.052335 -0.062346 -0.008758 -0.056356 0.076635 4C 1dxz 0.130648 -0.041780 -0.036890 -0.022781 -0.020071 -0.048876 4C 1dyz -0.084843 0.059574 0.078347 -0.040332 0.093709 0.055211 4C 1dx2y2 -0.130968 -0.051095 -0.063185 0.009453 -0.022795 -0.007542 4C 1dxy -0.051217 -0.003528 -0.004353 -0.017014 0.031913 -0.012357 4C 2dz2 0.084117 -0.240765 -0.336068 0.144639 -0.448573 0.039383 4C 2dxz 0.043354 -0.157084 -0.235359 0.081979 -0.211342 -0.068293 4C 2dyz 0.088100 0.269508 0.307911 0.164303 0.095982 0.105047 4C 2dx2y2 -0.214399 -0.334460 -0.415958 -0.055513 -0.168352 0.016537 4C 2dxy -0.210182 -0.075401 -0.077719 0.013345 0.047534 -0.151921 4C 1f0 0.080470 0.319920 0.427893 -0.044207 0.357936 -0.157576 4C 1f+1 0.182733 0.220139 0.256276 0.036962 0.076449 0.167845 4C 1f-1 0.098126 0.019095 0.030113 -0.033648 0.047244 -0.009221 4C 1f+2 -0.061169 0.224048 0.278817 -0.011894 0.249900 0.059638 4C 1f-2 -0.060515 0.077756 0.110527 0.006400 0.029260 0.144329 4C 1f+3 -0.036614 -0.000177 -0.014882 0.018544 -0.013139 0.034834 4C 1f-3 0.166694 -0.100655 -0.116971 0.014046 -0.156758 -0.044071 5C 1s 0.010436 0.003991 0.003201 -0.012759 -0.005528 -0.011562 5C 2s 0.020515 0.011586 0.006889 -0.033245 -0.014487 -0.028734 5C 3s 0.254648 -0.110158 0.057345 0.171822 0.062801 0.110688 5C 4s -1.690436 0.016912 -0.274022 0.393843 0.285623 0.490289 5C 5s -0.318841 0.194064 0.095602 0.071455 -0.086157 0.030516 5C 1pz 0.062992 -0.043331 -0.003392 0.017647 0.042705 -0.038996 5C 1px -0.009413 -0.001660 0.011887 -0.016220 -0.002459 -0.031152 5C 1py -0.054607 -0.082789 0.024668 0.174311 0.090981 0.085027 5C 2pz -0.862330 0.485320 -0.269568 -0.168988 -0.396118 0.277492 5C 2px -0.199630 0.185881 -0.360365 0.148468 -0.105888 0.512013 5C 2py 1.137294 0.143584 0.379247 -0.988676 -0.309580 -0.676552 5C 3pz -0.241063 0.179014 -0.112505 -0.081963 -0.081390 0.264191 5C 3px -0.245274 0.192611 -0.136661 -0.052128 -0.039856 0.197841 5C 3py 0.438965 -0.308407 0.217702 0.278848 0.157137 -0.416125 5C 1dz2 0.123495 -0.056992 0.031225 0.024767 0.028444 -0.033750 5C 1dxz 0.027574 -0.044576 0.027497 0.042017 0.034766 -0.034052 5C 1dyz 0.145851 0.073988 0.024993 -0.198434 -0.092362 -0.161917 5C 1dx2y2 -0.142609 -0.021934 -0.039033 0.054415 0.029009 -0.005057 5C 1dxy 0.071299 0.025119 0.000647 -0.064754 -0.033151 -0.005434 5C 2dz2 0.345709 -0.363811 0.152094 0.388787 0.334940 -0.028687 5C 2dxz 0.237938 -0.188025 0.120703 0.079302 0.134372 -0.138652 5C 2dyz -0.212822 0.195113 -0.103113 -0.036689 -0.183731 0.171319 5C 2dx2y2 -0.550065 -0.170997 -0.223047 0.636638 0.270370 0.378050 5C 2dxy -0.162486 -0.025271 -0.055425 0.209984 0.064624 0.274885 5C 1f0 0.185632 0.056471 0.021970 -0.163458 -0.069936 -0.103440 5C 1f+1 0.084614 0.117439 0.061127 -0.240035 -0.137436 -0.119941 5C 1f-1 0.031995 -0.334380 0.031168 0.459979 0.332216 0.122837 5C 1f+2 0.031092 -0.002413 0.034589 -0.036315 -0.009321 0.050550 5C 1f-2 -0.207282 -0.097271 -0.038299 0.196140 0.130363 -0.017178 5C 1f+3 0.311326 -0.117262 0.138213 0.031357 0.071615 -0.012402 5C 1f-3 -0.155399 0.211930 -0.080183 -0.204618 -0.184099 0.145140 6C 1s 0.005795 0.003467 -0.003769 0.012379 -0.005591 -0.011519 6C 2s 0.008464 0.010354 -0.008528 0.032286 -0.014623 -0.028647 6C 3s 0.293627 -0.112738 -0.042675 -0.168611 0.061756 0.111624 6C 4s -1.481687 0.053264 0.275997 -0.373460 0.295292 0.484435 6C 5s -0.057815 0.197104 -0.103416 -0.078252 -0.060873 0.019516 6C 1pz -0.004108 0.045132 -0.005532 0.018933 -0.041737 0.038147 6C 1px 0.032163 0.003977 0.012789 -0.014916 0.004694 0.028258 6C 1py -0.002593 0.082017 0.014413 0.171686 -0.093776 -0.084525 6C 2pz 0.419106 -0.523350 -0.232041 -0.171921 0.380692 -0.263385 6C 2px -0.087878 -0.232848 -0.360317 0.145663 0.077244 -0.487685 6C 2py -0.634862 -0.087757 0.404682 -0.981566 0.346129 0.656894 6C 3pz 0.348548 -0.182081 -0.102029 -0.082147 0.091533 -0.269314 6C 3px 0.267463 -0.202300 -0.123027 -0.054236 0.039714 -0.193994 6C 3py -0.586376 0.316435 0.197858 0.279751 -0.173198 0.423458 6C 1dz2 0.089923 -0.061531 -0.026676 -0.026176 0.027926 -0.032636 6C 1dxz 0.027158 -0.046966 -0.023888 -0.042336 0.035022 -0.033531 6C 1dyz 0.082771 0.068377 -0.034516 0.193648 -0.095405 -0.159962 6C 1dx2y2 -0.144649 -0.018600 0.038438 -0.054753 0.029750 -0.004336 6C 1dxy 0.036766 0.023617 -0.003075 0.063971 -0.034180 -0.006611 6C 2dz2 0.207157 -0.379701 -0.119826 -0.387746 0.332913 -0.024282 6C 2dxz 0.080950 -0.203954 -0.108460 -0.081619 0.127370 -0.128670 6C 2dyz 0.019799 0.213190 0.092290 0.037220 -0.173397 0.162826 6C 2dx2y2 -0.303678 -0.139959 0.248215 -0.632682 0.288179 0.370758 6C 2dxy -0.046416 -0.017034 0.061847 -0.204074 0.071941 0.269832 6C 1f0 -0.114169 -0.052730 0.028013 -0.160745 0.071512 0.104771 6C 1f+1 -0.042369 -0.109229 0.074847 -0.237809 0.142154 0.117358 6C 1f-1 0.040987 0.338671 0.001036 0.457951 -0.334664 -0.125604 6C 1f+2 0.000547 0.007678 0.034455 -0.037288 0.012216 -0.051976 6C 1f-2 0.196438 0.093278 -0.044728 0.196394 -0.132201 0.015893 6C 1f+3 -0.221155 0.132254 0.126569 0.030563 -0.066380 0.010703 6C 1f-3 0.081365 -0.220575 -0.064304 -0.206417 0.182260 -0.138673 7C 1s 0.010731 -0.001920 0.004042 0.000353 -0.004511 -0.004442 7C 2s 0.021096 -0.005062 0.010889 0.000511 -0.011448 -0.011128 7C 3s 0.227348 0.036338 -0.099299 0.023077 0.032559 -0.005277 7C 4s -1.570318 0.051670 0.007029 0.005614 0.261175 0.529677 7C 5s -0.069708 -0.196587 0.245396 0.471435 0.049724 -0.036954 7C 1pz -0.023117 0.042596 -0.060441 0.067494 0.085442 0.044247 7C 1px -0.004355 0.032666 -0.059409 0.010407 0.022067 0.026410 7C 1py -0.040199 -0.055926 0.086579 0.035927 -0.051761 0.030374 7C 2pz 0.935612 -0.028622 0.056340 -0.438784 -0.554984 0.253566 7C 2px 0.560977 -0.123581 0.255101 -0.104991 -0.213656 -0.156900 7C 2py 0.906022 0.524917 -0.773809 -0.232324 0.267773 0.118814 7C 3pz 0.317107 0.190785 0.035828 0.401629 -0.043703 0.542195 7C 3px -0.052385 0.053816 0.014183 0.096222 0.024574 0.056337 7C 3py 0.151293 0.148720 0.108325 0.331108 -0.042321 0.342499 7C 1dz2 -0.016818 -0.048782 0.068439 0.009149 -0.061337 0.081247 7C 1dxz 0.128659 -0.039127 0.042230 0.021006 -0.021405 -0.048819 7C 1dyz -0.127489 0.052263 -0.078570 0.041614 0.093316 0.054819 7C 1dx2y2 -0.161034 -0.047073 0.065989 -0.007686 -0.023130 -0.011467 7C 1dxy -0.084657 -0.004332 0.006780 0.018006 0.032161 -0.015673 7C 2dz2 0.293003 -0.215816 0.348837 -0.150044 -0.467809 0.065530 7C 2dxz 0.112775 -0.140276 0.247072 -0.082334 -0.213730 -0.072321 7C 2dyz 0.277553 0.241090 -0.324723 -0.165594 0.093060 0.120603 7C 2dx2y2 -0.417889 -0.300944 0.439789 0.059559 -0.168302 -0.001776 7C 2dxy -0.295903 -0.069773 0.080524 -0.011512 0.054291 -0.171621 7C 1f0 -0.094915 -0.287326 0.449317 -0.042941 -0.369369 0.165250 7C 1f+1 -0.293693 -0.198347 0.268096 0.038788 -0.072150 -0.187097 7C 1f-1 -0.074165 -0.019493 0.031625 -0.033786 -0.052018 0.011418 7C 1f+2 0.092104 -0.202598 0.294178 -0.014282 -0.258207 -0.055866 7C 1f-2 0.046543 -0.070904 0.120405 0.005855 -0.028195 -0.155678 7C 1f+3 0.028776 -0.003334 -0.011571 0.019687 0.013857 -0.042016 7C 1f-3 -0.233159 0.092612 -0.125229 0.018327 0.164477 0.033421 8C 1s -0.003288 0.002522 0.001013 0.003578 -0.001918 -0.001780 8C 2s -0.007815 0.007549 0.003656 0.009362 -0.005710 -0.004446 8C 3s 0.056290 -0.078813 -0.098222 0.028940 0.041971 -0.072917 8C 4s -0.231461 0.172821 0.482439 -0.748050 0.058159 0.843500 8C 5s -0.430266 0.339498 0.247111 0.591372 -0.284074 0.096879 8C 1pz -0.037378 -0.006978 0.025208 -0.024820 0.017429 0.006174 8C 1px -0.038763 0.012307 0.010966 0.009770 -0.007594 -0.025081 8C 1py 0.044364 -0.081289 -0.036875 -0.093143 0.072047 0.025836 8C 2pz -0.115611 1.037726 -0.022160 1.517141 -1.055367 -0.409637 8C 2px 0.493758 0.071731 -0.230902 0.496039 -0.208465 0.186591 8C 2py -0.079231 0.930660 0.322909 0.690562 -0.793162 0.320877 8C 3pz 0.096996 -0.223565 -0.100414 -0.304069 0.212893 0.019004 8C 3px 0.032904 -0.037348 -0.005539 -0.118449 0.070643 -0.083467 8C 3py -0.175373 -0.017039 0.097609 -0.078829 0.056931 0.070356 8C 1dz2 -0.038795 -0.108475 0.001060 -0.167095 0.115247 0.014535 8C 1dxz 0.117175 0.052648 -0.033264 0.090388 -0.068055 0.065900 8C 1dyz 0.021754 -0.125975 -0.020585 -0.100471 0.109117 0.000102 8C 1dx2y2 -0.091843 0.180558 0.054694 0.189077 -0.151873 -0.015616 8C 1dxy -0.087441 0.131760 0.029388 0.162629 -0.119966 -0.004964 8C 2dz2 0.082441 -0.442957 -0.055368 -0.486411 0.413385 0.056670 8C 2dxz -0.034126 0.000358 0.007331 0.016970 -0.010777 0.051017 8C 2dyz 0.062740 -0.137751 -0.126938 -0.052637 0.095670 0.010973 8C 2dx2y2 -0.001445 -0.103286 -0.079669 -0.043883 0.070562 -0.064120 8C 2dxy 0.203915 0.019532 -0.077793 0.128278 -0.053401 0.047929 8C 1f0 -0.087616 -0.039490 0.038029 -0.085018 0.053439 -0.021988 8C 1f+1 0.028951 0.131168 -0.017422 0.189244 -0.132914 0.014987 8C 1f-1 -0.006264 -0.260025 -0.000086 -0.332494 0.247018 0.105305 8C 1f+2 0.123018 -0.004635 0.003876 -0.007224 -0.002646 0.137883 8C 1f-2 -0.126935 -0.143161 0.029138 -0.226990 0.153469 -0.085785 8C 1f+3 0.016172 -0.253945 -0.009297 -0.377850 0.257084 0.163407 8C 1f-3 0.116551 0.263802 0.004894 0.393299 -0.268670 -0.052235 9C 1s -0.001940 -0.001326 0.002210 -0.000575 -0.000435 -0.003116 9C 2s -0.005599 -0.004117 0.006393 -0.000816 -0.001010 -0.009937 9C 3s 0.156358 0.059987 -0.070555 -0.061117 -0.030197 0.130165 9C 4s -0.934446 -0.220851 0.193115 0.461964 0.304674 -0.327227 9C 5s 0.034269 -0.173412 -0.031385 -0.713762 -0.099069 -0.629757 9C 1pz -0.064137 -0.050954 0.078145 -0.007447 -0.039256 -0.059830 9C 1px 0.003009 -0.023826 0.038800 0.003049 -0.017782 -0.031806 9C 1py -0.040172 0.016227 -0.026005 0.000619 0.040102 -0.049106 9C 2pz 0.569301 0.751522 -1.083892 -0.188299 0.624497 0.149060 9C 2px 0.330899 0.616457 -0.880004 -0.146583 0.186428 0.879765 9C 2py 0.033182 -0.869556 1.324901 -0.275976 -1.273152 0.279471 9C 3pz 0.067537 -0.045141 0.157053 0.178145 -0.110462 0.166824 9C 3px 0.011471 -0.083667 0.149331 0.062401 -0.037776 -0.065255 9C 3py 0.120890 0.171655 -0.247302 0.093192 0.204058 0.101207 9C 1dz2 0.072003 0.012321 -0.007849 0.028828 0.002626 0.025524 9C 1dxz 0.124026 0.179916 -0.254688 0.014658 0.128855 0.112871 9C 1dyz 0.048016 -0.015796 0.003338 0.029047 0.043262 -0.078829 9C 1dx2y2 -0.024144 0.024019 -0.033353 0.011869 0.084725 -0.121302 9C 1dxy -0.046500 -0.184231 0.270911 -0.013619 -0.217318 0.003793 9C 2dz2 -0.176305 -0.279967 0.402492 -0.011592 -0.274623 -0.075247 9C 2dxz -0.047576 0.013595 -0.021001 -0.004754 0.068724 -0.075309 9C 2dyz -0.172969 0.022726 -0.027367 0.107970 0.180628 -0.280937 9C 2dx2y2 -0.000718 -0.124693 0.174579 0.010360 -0.068565 -0.117965 9C 2dxy -0.107310 -0.288213 0.431624 0.007772 -0.261231 -0.116712 9C 1f0 0.041287 0.212188 -0.313177 0.028504 0.261602 -0.039827 9C 1f+1 -0.069858 0.306910 -0.455095 0.008269 0.303484 0.186769 9C 1f-1 0.069945 0.069988 -0.115060 0.029810 0.123874 -0.061759 9C 1f+2 0.018191 0.234551 -0.363815 0.029277 0.284734 -0.056576 9C 1f-2 -0.037383 -0.005415 0.019719 -0.026546 -0.085387 0.169956 9C 1f+3 -0.007921 -0.091970 0.141919 -0.011221 -0.167658 0.182110 9C 1f-3 -0.019496 -0.067094 0.098721 -0.006121 -0.095323 0.098703 10H 1s -0.031033 0.019454 0.012720 0.029715 -0.021259 0.072053 10H 2s 0.053392 0.252082 0.288911 0.060048 -0.004947 0.436593 10H 3s -0.019319 -0.087265 -0.115384 -0.062932 0.012648 -0.100944 10H 1pz 0.056815 0.035321 0.033925 0.025388 -0.048562 0.084465 10H 1px 0.001766 -0.121000 -0.137493 -0.016706 -0.012050 -0.220755 10H 1py 0.024213 0.060781 0.075023 0.010829 0.039239 -0.004116 11H 1s -0.004853 -0.128825 -0.177617 0.002688 -0.125674 -0.061355 11H 2s -0.130819 -0.874166 -1.088673 0.001713 -0.705639 -0.287100 11H 3s -0.006568 0.344147 0.439187 -0.013105 0.293504 0.123486 11H 1pz -0.080303 -0.258988 -0.322834 0.023943 -0.209761 -0.091631 11H 1px -0.025413 -0.270495 -0.335503 -0.006113 -0.206678 -0.119818 11H 1py -0.009084 0.210761 0.267307 0.006768 0.185901 0.028824 12H 1s -0.009656 0.059165 0.076454 -0.004093 0.094137 -0.094739 12H 2s 0.217368 0.537835 0.694644 -0.106702 0.699456 -0.270956 12H 3s -0.130014 -0.192886 -0.262030 -0.011500 -0.252251 0.103233 12H 1pz -0.025747 -0.095363 -0.130349 0.032365 -0.134266 0.053007 12H 1px 0.061313 0.080027 0.099278 -0.027426 0.116293 -0.080337 12H 1py 0.099208 0.241011 0.307615 -0.034828 0.297991 -0.103826 13H 1s 0.007566 -0.004650 0.016247 -0.013583 -0.000448 0.026769 13H 2s 0.463034 -0.237036 0.164804 0.149361 0.192318 0.173562 13H 3s -0.214069 0.073970 -0.064367 0.003581 -0.052839 -0.060711 13H 1pz 0.159727 -0.110013 0.056745 0.088819 0.092341 0.038683 13H 1px -0.159850 0.074448 -0.062978 -0.061886 -0.056875 -0.105263 13H 1py -0.128549 0.000862 -0.038549 0.072085 0.015198 0.047968 14H 1s -0.051488 -0.045052 -0.023761 0.077408 0.053162 -0.052884 14H 2s -0.069196 -0.502932 0.043685 0.710856 0.537911 -0.142593 14H 3s -0.038471 0.171537 -0.026721 -0.227416 -0.192289 0.087744 14H 1pz 0.001463 -0.135270 0.016445 0.175862 0.140273 -0.022401 14H 1px -0.019198 -0.201637 0.017236 0.273748 0.208583 -0.088678 14H 1py -0.073079 -0.092738 -0.001749 0.170478 0.098490 0.024404 15H 1s -0.009318 0.132971 -0.025975 -0.206862 -0.143481 -0.068702 15H 2s -0.396466 0.828818 -0.172658 -0.981621 -0.778880 -0.118348 15H 3s 0.076297 -0.323499 0.071686 0.447179 0.320941 0.093411 15H 1pz 0.071903 -0.257313 0.039870 0.323702 0.248436 0.046057 15H 1px -0.069288 0.066956 -0.026332 -0.067870 -0.059566 -0.031135 15H 1py 0.185920 -0.306666 0.081110 0.354348 0.286606 0.027759 16H 1s 0.174920 -0.009257 0.179689 0.044270 -0.026631 0.386846 16H 2s -0.180902 0.069160 0.301588 0.146529 -0.054271 0.677429 16H 3s -0.027892 0.009680 -0.076823 0.003191 -0.002686 -0.128185 16H 1pz 0.091537 0.016736 0.231156 0.084517 -0.036605 0.493024 16H 1px 0.027570 -0.006473 -0.028147 -0.010832 0.008196 -0.092692 16H 1py 0.095135 -0.003262 0.121001 0.026490 -0.019519 0.270455 17H 1s 0.017107 -0.023175 -0.176937 -0.008248 0.026885 -0.412128 17H 2s -0.417308 0.038097 -0.283009 0.049760 0.046969 -0.672029 17H 3s 0.052857 -0.009902 0.089530 -0.002834 -0.010218 0.106389 17H 1pz 0.044031 -0.001843 0.124145 -0.020226 -0.017660 0.283717 17H 1px 0.104369 0.004729 0.160538 -0.014342 -0.027375 0.385115 17H 1py -0.023856 -0.012920 -0.155229 -0.006752 0.024374 -0.352406 18H 1s 0.036044 -0.005598 0.175303 0.003366 0.041268 -0.432296 18H 2s -0.346601 0.068711 0.265291 -0.053638 0.073637 -0.704784 18H 3s 0.053649 -0.017882 -0.087678 0.004091 -0.015738 0.113724 18H 1pz -0.015382 0.014740 0.124302 -0.023142 0.029361 -0.307400 18H 1px -0.071055 0.012301 0.155566 -0.017620 0.041574 -0.404798 18H 1py 0.006074 -0.002498 -0.148736 -0.003633 -0.035871 0.359673 19H 1s 0.191599 -0.026760 -0.172942 -0.040616 -0.040945 0.406693 19H 2s -0.115104 0.038365 -0.306089 -0.136206 -0.075273 0.710950 19H 3s -0.024160 0.017230 0.074522 -0.005739 0.003108 -0.136187 19H 1pz -0.131325 0.006067 0.224797 0.077878 0.052987 -0.511624 19H 1px -0.021362 0.003149 -0.030063 -0.010402 -0.011242 0.100747 19H 1py -0.107147 0.015605 0.121807 0.025545 0.030477 -0.294825 20H 1s -0.008535 0.134804 0.012706 0.204275 -0.143715 -0.070771 20H 2s -0.146941 0.847508 0.098701 0.975092 -0.777525 -0.126869 20H 3s 0.008025 -0.329415 -0.042645 -0.443002 0.321407 0.096367 20H 1pz 0.004664 0.262546 0.017639 0.322223 -0.248776 -0.049154 20H 1px 0.044727 -0.071976 -0.019671 -0.069685 0.061376 0.031655 20H 1py -0.092309 0.313650 0.053129 0.351041 -0.285638 -0.030529 21H 1s -0.059836 -0.044087 0.025529 -0.079858 0.054593 -0.050590 21H 2s -0.139788 -0.509926 -0.001942 -0.720344 0.547079 -0.130874 21H 3s 0.020201 0.176446 0.012301 0.232510 -0.194507 0.083558 21H 1pz 0.031352 0.139255 0.004870 0.179716 -0.142669 0.019574 21H 1px 0.049213 0.203371 0.001025 0.276736 -0.211057 0.083400 21H 1py 0.046557 0.092343 -0.009848 0.170518 -0.101081 -0.025740 22H 1s -0.014930 -0.006847 -0.016220 0.014700 -0.002608 0.026901 22H 2s 0.296025 -0.252304 -0.140862 -0.137463 0.182906 0.172519 22H 3s -0.106147 0.081982 0.057394 -0.007902 -0.046595 -0.062048 22H 1pz -0.097289 0.115345 0.046567 0.085235 -0.089240 -0.038842 22H 1px 0.124866 -0.079601 -0.053924 -0.057276 0.054754 0.104189 22H 1py 0.070789 -0.006352 -0.040179 0.071880 -0.017717 -0.047220 23H 1s -0.012808 0.055501 -0.083717 0.004165 0.101639 -0.102722 23H 2s 0.178303 0.490535 -0.734586 0.109651 0.735855 -0.297990 23H 3s -0.141477 -0.175221 0.276220 0.010413 -0.267405 0.112332 23H 1pz 0.012165 0.087329 -0.137534 0.032041 0.140309 -0.057551 23H 1px -0.050796 -0.070690 0.100568 -0.027027 -0.119456 0.086384 23H 1py -0.085220 -0.220330 0.326529 -0.036084 -0.314541 0.114913 24H 1s -0.016102 -0.114612 0.184104 -0.002647 -0.125570 -0.067300 24H 2s -0.236851 -0.783633 1.139396 -0.001337 -0.711514 -0.314977 24H 3s 0.025956 0.307873 -0.458560 0.014159 0.295329 0.134860 24H 1pz 0.110515 0.229864 -0.333603 0.023799 0.209630 0.098691 24H 1px 0.064965 0.246217 -0.356829 -0.006130 0.211074 0.131487 24H 1py -0.016761 -0.187131 0.277920 0.006664 -0.187592 -0.029980 25H 1s -0.014247 0.018108 -0.015431 -0.029518 -0.023361 0.078201 25H 2s 0.209849 0.220231 -0.297566 -0.062485 -0.029080 0.479653 25H 3s -0.108898 -0.074837 0.119819 0.064945 0.022438 -0.120403 25H 1pz -0.118598 -0.030881 0.035709 0.027049 0.055508 -0.097335 25H 1px 0.058054 0.106791 -0.142115 -0.016840 0.002890 0.238423 25H 1py -0.050286 -0.053773 0.078086 0.011539 -0.039047 0.004002 26O 1s -0.005050 -0.003721 -0.002257 -0.003661 0.000622 -0.007735 26O 2s -0.013641 -0.011886 -0.006612 -0.011789 0.000616 -0.025168 26O 3s 0.007106 0.071745 0.023469 0.079087 0.027440 0.192936 26O 4s 0.232213 -0.035568 0.085812 -0.052225 -0.148953 -0.373344 26O 5s 1.197080 0.301197 0.085513 0.020716 -0.175761 0.585681 26O 1pz 0.038481 0.004611 -0.018138 0.002953 -0.008771 -0.011573 26O 1px -0.016311 -0.012421 -0.033786 -0.028022 -0.018774 -0.003047 26O 1py 0.002849 -0.016408 -0.007796 -0.005501 0.024129 -0.020910 26O 2pz -0.160324 0.000921 0.060219 -0.025114 0.057714 0.001080 26O 2px -0.406933 -0.034597 -0.002250 0.025297 0.141157 0.022471 26O 2py -0.197870 -0.017753 -0.034056 -0.014732 -0.030005 0.061019 26O 3pz 0.373692 -0.056237 -0.095421 -0.112673 -0.049724 0.088094 26O 3px -0.117498 -0.124717 -0.078662 -0.175607 0.055678 -0.017303 26O 3py 0.245857 0.022464 -0.012016 -0.126549 0.085346 0.172241 26O 1dz2 0.011465 0.004537 0.012780 -0.002334 0.009154 -0.008379 26O 1dxz 0.006359 -0.002474 0.002111 -0.004043 0.010182 -0.022575 26O 1dyz 0.016485 -0.006348 -0.010483 -0.001016 -0.001231 -0.015693 26O 1dx2y2 -0.009489 0.002128 0.006633 -0.000809 0.007474 0.004430 26O 1dxy -0.004443 -0.005047 -0.003504 -0.001080 0.004591 -0.017237 26O 2dz2 -0.085237 -0.029360 -0.006610 -0.015262 0.032979 0.005268 26O 2dxz 0.089448 0.001432 0.009284 0.006827 -0.025201 0.076597 26O 2dyz 0.065940 0.010016 -0.007090 -0.003432 -0.004365 0.038523 26O 2dx2y2 0.138808 -0.017666 -0.000465 -0.004006 -0.037870 -0.017174 26O 2dxy 0.109662 0.012228 0.015201 0.012189 -0.019389 -0.035847 26O 1f0 0.003070 0.023600 0.025677 -0.004054 0.022922 -0.021033 26O 1f+1 -0.001855 -0.013898 -0.018780 0.001707 -0.011278 -0.012706 26O 1f-1 -0.011067 -0.003397 -0.006916 -0.006951 -0.003231 0.010915 26O 1f+2 0.004329 0.011278 0.010395 0.003428 -0.000051 0.018091 26O 1f-2 -0.004969 0.021155 0.022308 -0.007672 0.023839 0.014530 26O 1f+3 -0.003474 0.015427 0.017860 -0.000471 0.012119 0.017761 26O 1f-3 0.021511 0.018231 0.024072 0.003577 0.010850 0.007535 27O 1s -0.007683 0.004793 -0.001195 -0.001080 -0.002182 0.001760 27O 2s -0.020854 0.015869 -0.002302 -0.006444 -0.007740 0.002547 27O 3s 0.029994 -0.109210 -0.046548 0.113117 0.065813 0.063006 27O 4s 0.300857 0.151951 0.316314 -0.423345 -0.125554 -0.381467 27O 5s 1.517938 -0.492986 0.411939 -0.076150 0.108814 -0.538927 27O 1pz -0.056333 -0.000808 -0.007193 0.029570 0.029996 -0.025770 27O 1px -0.040089 0.024390 -0.009978 -0.015296 -0.012723 0.000091 27O 1py 0.054520 0.013805 0.014815 0.011183 0.007780 0.052521 27O 2pz 0.150963 0.019810 0.010668 -0.102505 -0.077213 0.018302 27O 2px -0.463039 0.035245 -0.244147 0.211031 0.029732 0.279530 27O 2py 0.038063 -0.025770 0.052149 -0.102326 -0.046567 -0.159312 27O 3pz 0.117750 -0.093964 0.017603 0.089481 0.094354 -0.186162 27O 3px -0.363857 0.071426 -0.153449 0.158272 0.054570 0.196629 27O 3py -0.016930 0.013868 0.058672 -0.035176 0.009394 0.043385 27O 1dz2 0.014078 0.002094 0.005482 -0.015279 -0.007597 -0.007926 27O 1dxz -0.000074 0.001886 -0.000652 -0.003760 -0.004055 -0.006527 27O 1dyz -0.009033 -0.001317 -0.004800 0.000936 0.004892 -0.001590 27O 1dx2y2 -0.020372 0.006211 -0.011429 -0.007418 -0.006626 -0.000366 27O 1dxy 0.009529 -0.000821 0.006641 -0.005760 -0.001928 0.010025 27O 2dz2 -0.094079 -0.007803 -0.043657 0.038505 0.007598 0.054041 27O 2dxz -0.063374 -0.030445 0.000416 0.047606 0.016371 0.048022 27O 2dyz 0.018692 0.019601 0.003609 -0.032714 -0.007372 -0.012397 27O 2dx2y2 0.171338 -0.023002 0.066318 -0.079167 -0.019823 -0.112712 27O 2dxy -0.130505 0.016618 -0.052886 0.045048 0.005613 0.060083 27O 1f0 0.016004 0.019868 -0.000589 -0.027840 -0.019987 -0.012458 27O 1f+1 0.024029 -0.028198 0.009767 0.029938 0.025835 -0.003502 27O 1f-1 -0.004961 -0.025272 0.001273 0.029159 0.019583 0.005955 27O 1f+2 0.013843 -0.001377 0.007665 0.004400 -0.000724 0.015992 27O 1f-2 0.040353 0.000798 0.004244 -0.011119 -0.006803 0.003987 27O 1f+3 -0.023837 0.006624 0.003248 -0.010188 -0.006904 -0.005146 27O 1f-3 0.009640 0.001474 0.004398 0.004803 0.001242 0.023098 28O 1s -0.003961 -0.003598 -0.003642 -0.003685 0.000734 -0.001433 28O 2s -0.010347 -0.011968 -0.012391 -0.011968 0.001642 -0.004527 28O 3s 0.017668 0.081958 0.083577 0.083218 0.009166 0.033610 28O 4s -0.005067 -0.099744 -0.083034 -0.066768 -0.087525 -0.063571 28O 5s 0.959104 0.289056 0.191527 0.067286 -0.149249 0.120204 28O 1pz -0.050828 0.010416 -0.014996 -0.012323 -0.006385 0.033018 28O 1px -0.007347 0.029542 0.035682 0.025177 -0.007239 0.035704 28O 1py -0.020641 -0.001591 0.009121 0.010289 0.010001 0.053453 28O 2pz -0.066060 -0.039812 -0.018418 0.021349 0.057539 0.007431 28O 2px 0.221898 -0.014017 -0.015204 -0.019443 -0.045634 -0.049659 28O 2py 0.000173 -0.009629 -0.033738 -0.019666 -0.020468 -0.087193 28O 3pz 0.070449 -0.034360 -0.130871 -0.144215 0.033921 0.145589 28O 3px 0.192360 0.080875 0.075363 0.090664 -0.098618 0.076411 28O 3py 0.042653 0.015258 -0.033726 -0.066030 0.045531 -0.002619 28O 1dz2 0.004848 0.002085 0.009581 0.001456 0.002729 0.013979 28O 1dxz 0.019294 0.003750 0.009195 -0.003059 0.002488 -0.006889 28O 1dyz 0.006090 -0.000322 0.001954 -0.001069 -0.001903 -0.001296 28O 1dx2y2 -0.003821 -0.001222 0.001072 -0.000312 0.006434 -0.000669 28O 1dxy 0.001814 -0.003348 -0.002466 -0.004276 0.001078 -0.013913 28O 2dz2 0.011527 -0.030865 0.000190 -0.022356 0.012131 -0.041636 28O 2dxz -0.106439 -0.012061 -0.011585 0.002995 0.021356 0.033204 28O 2dyz 0.047601 0.015526 0.001009 -0.007159 0.006949 0.009662 28O 2dx2y2 0.093073 -0.014041 -0.003919 0.013001 -0.039853 0.041019 28O 2dxy -0.050902 -0.006704 0.005271 -0.008823 0.008228 -0.031348 28O 1f0 -0.006464 -0.013632 -0.023341 -0.000607 -0.023904 0.012061 28O 1f+1 -0.002755 0.014449 0.011339 0.006418 -0.001527 0.017477 28O 1f-1 -0.034207 0.012911 0.008385 -0.005013 0.013434 0.018109 28O 1f+2 0.015612 0.005089 0.004631 -0.006090 0.008725 -0.018657 28O 1f-2 -0.000888 0.002013 -0.001698 0.003758 -0.004351 0.008915 28O 1f+3 -0.000400 -0.036723 -0.048248 0.004064 -0.037446 0.010771 28O 1f-3 -0.016641 0.004771 0.008253 0.002210 0.003584 -0.000729 29O 1s -0.015890 0.002093 0.000064 0.000927 -0.000309 0.000919 29O 2s -0.057221 0.007478 0.000088 0.002124 -0.001157 0.003522 29O 3s 0.502462 -0.064132 0.001942 0.007250 0.010761 -0.036095 29O 4s -1.125608 0.141536 -0.011242 -0.043919 -0.031341 0.079494 29O 5s 1.497107 -0.221119 -0.000702 -0.167679 0.074430 -0.019982 29O 1pz -0.052665 -0.004955 -0.135580 -0.026650 0.019720 -0.297301 29O 1px -0.027200 -0.001734 -0.047279 0.016404 0.009015 -0.110577 29O 1py 0.024846 0.002198 0.013794 -0.028304 -0.002135 0.032455 29O 2pz 0.226076 0.027330 0.593666 0.110070 -0.090770 1.309377 29O 2px 0.164932 -0.000498 0.212821 -0.049832 -0.035540 0.486452 29O 2py -0.045457 -0.004077 -0.056415 0.091748 0.007797 -0.141027 29O 3pz 0.081084 -0.005779 -0.029535 0.030959 0.004000 -0.037943 29O 3px -0.416787 0.047175 -0.033966 0.031934 -0.018397 0.007617 29O 3py -0.268471 0.054352 0.024803 0.035781 -0.003017 0.011440 29O 1dz2 -0.000457 0.003457 0.003401 0.002891 -0.000925 0.012037 29O 1dxz -0.004250 0.001478 -0.004026 -0.004860 0.000630 -0.012543 29O 1dyz -0.003851 -0.000264 0.006692 0.000924 -0.000393 0.008056 29O 1dx2y2 0.016538 -0.000016 0.001158 0.003369 0.000917 -0.007313 29O 1dxy 0.017910 -0.000093 0.000828 -0.007812 -0.001345 0.005299 29O 2dz2 -0.091151 0.003986 -0.144050 -0.040649 0.021665 -0.302706 29O 2dxz 0.041114 0.009093 0.129211 -0.010682 -0.019391 0.288141 29O 2dyz -0.117236 -0.012834 -0.236706 -0.039448 0.038828 -0.541193 29O 2dx2y2 0.043350 0.002700 0.043795 0.027180 -0.004337 0.068688 29O 2dxy 0.009718 -0.005247 -0.103941 -0.006329 0.014488 -0.243452 29O 1f0 -0.027458 0.000972 -0.014941 -0.003029 0.002118 -0.032185 29O 1f+1 0.003049 -0.000634 -0.016432 -0.001292 0.003003 -0.033825 29O 1f-1 -0.020497 0.002736 -0.027575 -0.009328 0.004248 -0.058430 29O 1f+2 0.014693 0.000193 0.009313 -0.003375 -0.000481 0.018816 29O 1f-2 0.003182 0.002677 0.045846 0.008211 -0.006009 0.099334 29O 1f+3 -0.011035 -0.001781 -0.011985 -0.002686 0.002412 -0.023659 29O 1f-3 -0.019261 -0.003189 -0.019748 0.008596 0.004034 -0.051178 30O 1s -0.007431 0.003873 0.002186 -0.000708 -0.002704 0.006085 30O 2s -0.021172 0.012883 0.009433 -0.004537 -0.009647 0.017363 30O 3s 0.035804 -0.093000 -0.125409 0.088969 0.088320 -0.074331 30O 4s 0.295747 0.167370 0.379114 -0.355933 -0.216382 0.000516 30O 5s 1.449310 -0.438931 0.012630 -0.034288 0.166112 -0.860092 30O 1pz 0.001523 0.014905 -0.004154 0.008020 0.012533 0.007908 30O 1px 0.080567 -0.017078 -0.005866 0.015955 0.018476 0.013840 30O 1py -0.001913 0.011031 0.011557 -0.001842 0.012439 -0.025214 30O 2pz -0.342152 0.006068 -0.057185 0.060791 -0.014294 0.085630 30O 2px 0.222454 -0.001258 0.131782 -0.150025 -0.063504 -0.149611 30O 2py 0.331096 -0.033939 0.021267 -0.098327 -0.059002 -0.059663 30O 3pz -0.023661 -0.069651 -0.034589 0.146672 0.056316 0.089676 30O 3px 0.410518 -0.075319 -0.015553 -0.068051 0.009024 -0.191510 30O 3py -0.167968 0.078585 0.058042 -0.104994 -0.014308 0.090221 30O 1dz2 0.000975 -0.000764 0.003366 -0.005737 -0.005082 -0.000939 30O 1dxz 0.009602 -0.000415 0.004067 -0.008139 -0.003348 -0.001151 30O 1dyz -0.009782 -0.001837 0.006388 -0.000501 0.004389 -0.021547 30O 1dx2y2 -0.024378 0.003107 -0.004284 -0.002395 -0.003813 -0.010990 30O 1dxy -0.015995 0.004013 -0.002506 -0.001476 -0.001890 0.009685 30O 2dz2 0.004624 -0.033392 0.002507 0.028955 0.012834 -0.007972 30O 2dxz -0.185138 -0.006359 -0.048218 0.063694 0.018968 0.073048 30O 2dyz -0.134002 0.026525 -0.002165 0.000308 -0.002086 0.038307 30O 2dx2y2 0.020494 -0.010609 0.036638 -0.033619 -0.015055 0.006787 30O 2dxy 0.098601 0.001509 0.034978 -0.051815 -0.019269 -0.045632 30O 1f0 0.023467 -0.027697 0.002688 0.031563 0.023694 0.004491 30O 1f+1 0.003076 0.011137 -0.003031 -0.012072 -0.008538 0.002973 30O 1f-1 0.014354 0.000612 0.004259 -0.016585 -0.009521 -0.003708 30O 1f+2 0.027411 0.023122 0.001914 -0.041672 -0.026310 -0.013227 30O 1f-2 -0.013296 -0.007017 -0.005598 0.011898 0.006571 0.003988 30O 1f+3 0.003080 -0.014738 0.003688 0.014465 0.012230 0.011341 30O 1f-3 -0.019561 -0.012142 0.002942 0.021491 0.014198 -0.005245 31O 1s -0.005345 0.003763 -0.002347 0.000677 -0.002600 0.006117 31O 2s -0.015571 0.012270 -0.009993 0.004368 -0.009400 0.017577 31O 3s 0.035221 -0.082239 0.129555 -0.086324 0.088593 -0.078009 31O 4s 0.123821 0.129360 -0.387629 0.347981 -0.225755 0.014460 31O 5s 1.320447 -0.443559 0.010222 0.025559 0.167085 -0.869121 31O 1pz -0.014269 -0.015425 -0.003607 0.008154 -0.013081 -0.007666 31O 1px -0.060164 0.016792 -0.008316 0.014726 -0.017331 -0.013858 31O 1py 0.014304 -0.009843 0.013091 -0.001904 -0.011107 0.024220 31O 2pz 0.294628 -0.012395 -0.054679 0.058019 0.013508 -0.085227 31O 2px -0.162881 0.015503 0.133579 -0.144488 0.065673 0.146429 31O 2py -0.281249 0.037349 0.017586 -0.094647 0.056663 0.061293 31O 3pz -0.093558 0.062382 -0.045036 0.146241 -0.062498 -0.088385 31O 3px -0.338988 0.076902 -0.017785 -0.066414 -0.006171 0.191877 31O 3py 0.286616 -0.067996 0.069275 -0.109311 0.025214 -0.099752 31O 1dz2 0.000558 -0.001233 -0.003401 0.005656 -0.005302 -0.000557 31O 1dxz 0.007050 -0.000840 -0.004125 0.008138 -0.003452 -0.001083 31O 1dyz -0.013597 -0.002509 -0.006824 0.000359 0.004015 -0.021104 31O 1dx2y2 -0.019311 0.003537 0.003574 0.002282 -0.003795 -0.010650 31O 1dxy -0.013898 0.004190 0.002235 0.001711 -0.002073 0.009744 31O 2dz2 0.016309 -0.032931 0.000873 -0.028635 0.012609 -0.007343 31O 2dxz -0.151244 -0.000979 0.048058 -0.061832 0.020686 0.072476 31O 2dyz -0.132507 0.026358 -0.001030 0.000802 -0.003093 0.038472 31O 2dx2y2 0.002714 -0.015357 -0.036096 0.033292 -0.016891 0.008178 31O 2dxy 0.067816 -0.003094 -0.035682 0.050205 -0.020416 -0.043485 31O 1f0 -0.014649 0.028073 0.000206 0.031430 -0.023622 -0.004874 31O 1f+1 0.000367 -0.011099 -0.001997 -0.011743 0.008375 -0.002912 31O 1f-1 -0.008866 -0.000147 0.004401 -0.016563 0.009998 0.003696 31O 1f+2 -0.022408 -0.022566 0.003987 -0.041007 0.026814 0.013263 31O 1f-2 0.010744 0.006440 -0.006190 0.012109 -0.007209 -0.003741 31O 1f+3 0.005452 0.015349 0.002382 0.014372 -0.012144 -0.011419 31O 1f-3 0.017978 0.012554 0.002217 0.021734 -0.014174 0.004478 32O 1s -0.016315 0.002094 -0.000477 -0.000845 -0.000253 0.000891 32O 2s -0.059680 0.007483 -0.001554 -0.001834 -0.000973 0.003405 32O 3s 0.544239 -0.064187 0.010505 -0.009646 0.009528 -0.034810 32O 4s -1.234416 0.141946 -0.017220 0.049369 -0.028558 0.075822 32O 5s 1.446369 -0.221932 0.049468 0.158140 0.065847 -0.016082 32O 1pz 0.058172 -0.008578 -0.132842 -0.022851 -0.030590 0.313599 32O 1px 0.014891 -0.003141 -0.045655 0.017770 -0.013134 0.114855 32O 1py 0.000979 -0.000698 0.009678 -0.028776 0.003005 -0.026104 32O 2pz -0.246208 0.032631 0.582629 0.093474 0.138036 -1.380383 32O 2px -0.114688 0.022455 0.203412 -0.055234 0.053659 -0.505367 32O 2py -0.044484 -0.001672 -0.038828 0.094123 -0.010579 0.112287 32O 3pz -0.088281 0.004761 -0.031852 0.032516 -0.004652 0.038553 32O 3px 0.420159 -0.049216 -0.022712 0.029550 0.016055 -0.004932 32O 3py 0.255670 -0.052960 0.033349 0.033911 0.001289 -0.011542 32O 1dz2 0.000270 0.003057 -0.003276 -0.002780 -0.001334 0.012366 32O 1dxz -0.005104 0.001986 0.003751 0.004714 0.001122 -0.013427 32O 1dyz -0.002107 -0.000830 -0.006770 -0.000849 -0.000672 0.008649 32O 1dx2y2 0.019552 0.000043 -0.000893 -0.003600 0.001092 -0.007431 32O 1dxy 0.013728 -0.000297 -0.000394 0.007723 -0.001726 0.005320 32O 2dz2 -0.104890 0.017598 0.129846 0.035875 0.029932 -0.293031 32O 2dxz 0.022782 -0.004221 -0.131965 0.013371 -0.031016 0.314950 32O 2dyz -0.119223 0.011884 0.234950 0.034749 0.059136 -0.577340 32O 2dx2y2 0.061441 -0.001510 -0.049161 -0.027278 -0.008456 0.088419 32O 2dxy 0.022410 0.005020 0.097234 0.003241 0.021743 -0.243967 32O 1f0 0.027778 -0.002162 -0.012879 -0.002320 -0.003135 0.031075 32O 1f+1 -0.003877 -0.000925 -0.017521 -0.000941 -0.004357 0.038121 32O 1f-1 0.026035 -0.005506 -0.026811 -0.008948 -0.006426 0.061921 32O 1f+2 -0.014343 0.000863 0.008840 -0.003164 0.001181 -0.019442 32O 1f-2 -0.003915 0.001832 0.045255 0.007023 0.009532 -0.104625 32O 1f+3 0.011288 0.000738 -0.010064 -0.002572 -0.002980 0.020957 32O 1f-3 0.012378 0.001037 -0.019463 0.009061 -0.006182 0.054468 33O 1s -0.005843 -0.003187 0.003701 0.003780 0.001002 -0.001867 33O 2s -0.015270 -0.010561 0.012596 0.012248 0.002548 -0.005930 33O 3s 0.014952 0.072295 -0.084725 -0.084381 0.003305 0.041511 33O 4s 0.149553 -0.090103 0.080130 0.067380 -0.082260 -0.066208 33O 5s 1.143642 0.268826 -0.187672 -0.078905 -0.164912 0.141600 33O 1pz 0.064866 -0.011753 -0.013638 -0.013270 0.005494 -0.031190 33O 1px -0.009154 -0.025734 0.037214 0.025185 0.009450 -0.039430 33O 1py 0.015363 0.002437 0.007915 0.009450 -0.009767 -0.054273 33O 2pz 0.117448 0.037060 -0.021574 0.020728 -0.059703 -0.006014 33O 2px -0.297423 0.012337 -0.017288 -0.016490 0.046675 0.045674 33O 2py 0.024880 0.005835 -0.031034 -0.017957 0.019081 0.088144 33O 3pz 0.066456 0.022358 -0.140562 -0.145938 -0.043626 -0.122289 33O 3px -0.286500 -0.073266 0.078729 0.092480 0.105777 -0.090193 33O 3py 0.000010 -0.018857 -0.034860 -0.064731 -0.050144 0.013739 33O 1dz2 0.005815 0.001169 -0.009516 -0.001342 0.002276 0.015069 33O 1dxz 0.023164 0.002817 -0.009012 0.002782 0.002145 -0.006454 33O 1dyz 0.004796 -0.000498 -0.002063 0.001002 -0.002265 -0.000695 33O 1dx2y2 -0.008006 -0.001200 -0.000767 0.000523 0.007080 -0.001725 33O 1dxy -0.000469 -0.003264 0.002733 0.004192 0.001017 -0.014421 33O 2dz2 0.000234 -0.031303 0.003026 0.022455 0.012920 -0.045916 33O 2dxz -0.142034 -0.011561 0.012846 -0.001370 0.021808 0.031233 33O 2dyz 0.043209 0.014969 0.000171 0.007603 0.007461 0.006273 33O 2dx2y2 0.124892 -0.013659 0.005638 -0.013884 -0.041907 0.046792 33O 2dxy -0.062418 -0.006558 -0.007417 0.008238 0.008273 -0.030140 33O 1f0 0.006933 0.012340 -0.024692 -0.000774 0.025154 -0.012351 33O 1f+1 -0.003765 -0.013432 0.012636 0.006309 0.001726 -0.018470 33O 1f-1 0.039120 -0.012372 0.009479 -0.005588 -0.014123 -0.017035 33O 1f+2 -0.010709 -0.004834 0.005304 -0.005915 -0.009342 0.019501 33O 1f-2 -0.001814 -0.002271 -0.001301 0.003834 0.004311 -0.009459 33O 1f+3 0.000426 0.032790 -0.050570 0.003955 0.037954 -0.010597 33O 1f-3 0.014055 -0.004328 0.009424 0.002141 -0.003918 0.000658 34O 1s -0.005540 0.005028 0.000815 0.000982 -0.001858 0.001542 34O 2s -0.015561 0.016432 0.000987 0.006064 -0.006717 0.001823 34O 3s 0.044064 -0.105715 0.057204 -0.109099 0.060723 0.067046 34O 4s 0.045095 0.116133 -0.339680 0.413670 -0.129861 -0.380810 34O 5s 1.301014 -0.542388 -0.375890 0.076778 0.080970 -0.514472 34O 1pz 0.046063 0.000205 -0.006216 0.029401 -0.029611 0.024301 34O 1px 0.022332 -0.025232 -0.007676 -0.015137 0.010872 0.001404 34O 1py -0.052202 -0.012420 0.014046 0.010846 -0.007910 -0.053164 34O 2pz -0.117438 -0.019015 0.010700 -0.101905 0.075873 -0.013393 34O 2px 0.308705 -0.065160 -0.246646 0.207398 -0.039210 -0.272992 34O 2py 0.010625 0.032862 0.054999 -0.100715 0.051778 0.158176 34O 3pz -0.159972 0.095167 0.011325 0.091531 -0.096564 0.184353 34O 3px 0.172166 -0.093802 -0.155470 0.155949 -0.072606 -0.184083 34O 3py 0.124341 -0.005147 0.060399 -0.034146 -0.001632 -0.048591 34O 1dz2 0.011146 0.001549 -0.005683 0.015176 -0.007849 -0.007958 34O 1dxz -0.000252 0.002018 0.000347 0.003663 -0.004149 -0.006470 34O 1dyz -0.011896 -0.000951 0.004728 -0.000866 0.005195 -0.001860 34O 1dx2y2 -0.014530 0.007430 0.010754 0.007420 -0.006231 -0.000855 34O 1dxy 0.004953 -0.001621 -0.006435 0.006018 -0.002099 0.009838 34O 2dz2 -0.067141 -0.002197 0.045375 -0.037522 0.009551 0.052219 34O 2dxz -0.042049 -0.030068 0.002466 -0.046114 0.015931 0.049528 34O 2dyz -0.004498 0.018579 -0.005864 0.032492 -0.007770 -0.012868 34O 2dx2y2 0.118877 -0.031393 -0.066373 0.077238 -0.022986 -0.110645 34O 2dxy -0.098010 0.022653 0.051978 -0.044273 0.008050 0.059945 34O 1f0 -0.011699 -0.019641 0.001318 -0.027165 0.020366 0.012338 34O 1f+1 -0.013955 0.029136 0.007266 0.029628 -0.025280 0.003099 34O 1f-1 0.007839 0.025481 -0.000962 0.029307 -0.019884 -0.006139 34O 1f+2 -0.014447 0.002175 0.007115 0.004122 0.001350 -0.016505 34O 1f-2 -0.034772 -0.000210 0.003944 -0.011106 0.007128 -0.003949 34O 1f+3 0.020171 -0.006391 0.004244 -0.010380 0.007239 0.004803 34O 1f-3 -0.013588 -0.001226 0.003678 0.004339 -0.001207 -0.022757 35O 1s -0.006660 -0.003462 0.002256 0.003739 0.000802 -0.008257 35O 2s -0.017140 -0.011090 0.006547 0.011989 0.001100 -0.026628 35O 3s -0.021314 0.067798 -0.021510 -0.078613 0.026680 0.196283 35O 4s 0.509435 -0.039588 -0.097608 0.044556 -0.159048 -0.348158 35O 5s 1.405774 0.293706 -0.076489 -0.035784 -0.189382 0.629910 35O 1pz -0.029424 -0.005637 -0.019144 0.003223 0.008017 0.013929 35O 1px 0.023190 0.008804 -0.033558 -0.028539 0.017465 0.006030 35O 1py 0.006050 0.014913 -0.009171 -0.005423 -0.026121 0.024458 35O 2pz 0.171770 0.003295 0.063131 -0.026655 -0.056841 -0.001480 35O 2px 0.576587 0.036215 -0.003900 0.018452 -0.147549 -0.003143 35O 2py 0.268343 0.017901 -0.034688 -0.018778 0.031774 -0.056915 35O 3pz -0.291740 0.047371 -0.108951 -0.111155 0.047225 -0.078256 35O 3px 0.275440 0.118480 -0.089684 -0.180818 -0.060419 0.040201 35O 3py -0.149413 -0.025674 -0.020379 -0.129683 -0.092419 -0.158058 35O 1dz2 0.014617 0.003602 -0.013029 0.002093 0.009367 -0.008130 35O 1dxz 0.002112 -0.002652 -0.001695 0.003963 0.010786 -0.024210 35O 1dyz 0.014672 -0.005424 0.011152 0.000840 -0.000880 -0.016472 35O 1dx2y2 -0.014475 0.001739 -0.007021 0.000938 0.007683 0.004349 35O 1dxy -0.010042 -0.004795 0.003801 0.001139 0.005113 -0.018626 35O 2dz2 -0.132020 -0.029168 0.009123 0.016890 0.034655 0.000140 35O 2dxz 0.104745 0.000350 -0.007882 -0.007437 -0.027427 0.082846 35O 2dyz 0.059799 0.010513 0.008168 0.003279 -0.004619 0.039999 35O 2dx2y2 0.174164 -0.017530 0.002431 0.002220 -0.039450 -0.013339 35O 2dxy 0.155217 0.012192 -0.017185 -0.015195 -0.020943 -0.029326 35O 1f0 -0.001734 -0.021743 0.027773 -0.003933 -0.023953 0.022082 35O 1f+1 0.002754 0.012496 -0.019734 0.002056 0.011731 0.012419 35O 1f-1 0.015804 0.002834 -0.007231 -0.007136 0.003376 -0.010716 35O 1f+2 -0.009597 -0.010576 0.011353 0.003521 0.000478 -0.020076 35O 1f-2 0.011612 -0.019301 0.023292 -0.008021 -0.024465 -0.013959 35O 1f+3 0.003014 -0.013971 0.018515 -0.000459 -0.011773 -0.019054 35O 1f-3 -0.027324 -0.015865 0.024367 0.003716 -0.010418 -0.008689 576 577 578 579 580 581 3.94931 3.98183 3.99599 3.99762 4.03656 4.04154 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s 0.001277 -0.000688 0.002784 0.001800 0.003716 -0.004540 0Rh 2s -0.012261 0.006189 -0.025013 -0.018080 -0.030027 0.045002 0Rh 3s 0.000245 -0.000385 0.001579 -0.000118 0.004141 -0.000067 0Rh 4s 0.068043 -0.034468 0.139290 0.100698 0.167959 -0.250174 0Rh 5s -0.159024 0.079784 -0.320284 -0.240290 -0.375627 0.582019 0Rh 6s 0.167323 -0.080207 0.311544 0.269326 0.313624 -0.576473 0Rh 7s -0.254587 0.116458 -0.479975 -0.443072 -0.012491 0.659471 0Rh 8s 0.049261 0.116786 0.105045 -0.007841 -0.174650 -0.717978 0Rh 1pz 0.007291 -0.001237 -0.001943 -0.008500 -0.003876 0.002744 0Rh 1px 0.005661 -0.000282 -0.000693 0.005299 0.002922 -0.007227 0Rh 1py -0.000536 -0.003533 0.002548 0.000807 -0.000290 -0.003914 0Rh 2pz -0.028127 0.004628 0.007593 0.033161 0.015927 -0.010097 0Rh 2px -0.022346 0.001423 0.002740 -0.021794 -0.010725 0.026383 0Rh 2py 0.001995 0.013501 -0.010786 -0.003317 0.001212 0.014979 0Rh 3pz 0.056482 -0.006075 -0.016936 -0.074024 -0.052821 0.009768 0Rh 3px 0.055626 -0.009934 -0.006583 0.072055 0.009176 -0.020775 0Rh 3py -0.002526 -0.024272 0.042185 0.010788 -0.004337 -0.027197 0Rh 4pz 0.002802 -0.014853 0.004698 0.027518 0.091997 0.045061 0Rh 4px -0.044598 0.029651 0.001938 -0.118976 0.059514 -0.137581 0Rh 4py -0.006254 -0.014359 -0.090762 -0.016114 0.008017 -0.013775 0Rh 5pz -0.098189 0.041989 0.023096 0.060880 -0.149762 -0.088626 0Rh 5px 0.012133 -0.042124 0.020536 0.145902 -0.173755 0.255737 0Rh 5py 0.016194 0.075444 0.155975 0.010384 -0.011162 0.060186 0Rh 6pz -0.104353 0.036089 -0.085258 -0.059591 0.670356 -0.504692 0Rh 6px -0.140044 -0.139041 -0.223183 -0.183263 0.493919 2.036284 0Rh 6py 0.019599 -0.253655 -0.371498 0.179254 -0.004584 0.355072 0Rh 1dz2 -0.025911 0.014315 0.026977 0.000760 -0.034410 -0.072727 0Rh 1dxz 0.051719 -0.000187 -0.023614 -0.084390 0.049839 -0.098243 0Rh 1dyz 0.061941 -0.003426 0.064051 -0.038862 0.045881 -0.007093 0Rh 1dx2y2 0.050393 -0.005433 0.022383 0.014179 0.050110 0.149648 0Rh 1dxy 0.005735 -0.054401 -0.027226 -0.008377 0.025658 0.040789 0Rh 2dz2 -0.002586 0.002364 0.003269 -0.000830 -0.006906 -0.011849 0Rh 2dxz 0.006732 0.000432 -0.003583 -0.011380 0.009759 -0.016412 0Rh 2dyz 0.009866 -0.001218 0.008612 -0.006403 0.007473 -0.001291 0Rh 2dx2y2 0.007141 -0.001095 0.004018 0.002204 0.008789 0.024790 0Rh 2dxy 0.001534 -0.007600 -0.007640 -0.001211 0.003835 0.007376 0Rh 3dz2 0.108801 -0.065140 -0.117013 0.001303 0.162828 0.332894 0Rh 3dxz -0.224608 -0.001543 0.105830 0.371612 -0.235078 0.452651 0Rh 3dyz -0.277895 0.017723 -0.282209 0.176557 -0.209608 0.032662 0Rh 3dx2y2 -0.221868 0.025659 -0.103312 -0.064041 -0.231459 -0.688247 0Rh 3dxy -0.028463 0.240030 0.138491 0.037108 -0.115382 -0.191091 0Rh 4dz2 -0.142282 0.099425 0.164444 -0.013602 -0.250117 -0.512934 0Rh 4dxz 0.306879 0.008465 -0.152534 -0.524436 0.364089 -0.705714 0Rh 4dyz 0.398311 -0.020178 0.404639 -0.259468 0.315383 -0.051681 0Rh 4dx2y2 0.310100 -0.041692 0.154545 0.097792 0.347330 1.069319 0Rh 4dxy 0.045597 -0.333909 -0.227183 -0.051377 0.168818 0.307615 0Rh 5dz2 0.113100 -0.149362 -0.186403 0.068620 0.247158 0.744088 0Rh 5dxz -0.243942 -0.045919 0.134099 0.453867 -0.421586 1.058148 0Rh 5dyz -0.330523 -0.068446 -0.464559 0.238311 -0.362746 0.110689 0Rh 5dx2y2 -0.260207 0.082813 -0.159219 -0.154632 -0.334484 -1.571593 0Rh 5dxy -0.045816 0.231137 0.249745 0.022993 -0.165889 -0.518334 0Rh 1f0 0.010174 0.001357 0.000401 0.012952 -0.018949 0.049386 0Rh 1f+1 0.001944 -0.005652 0.008710 -0.022417 -0.032616 -0.035835 0Rh 1f-1 -0.009262 0.016859 0.003723 0.006487 -0.003901 -0.003768 0Rh 1f+2 0.000688 0.016874 -0.004128 -0.014583 0.023077 -0.061475 0Rh 1f-2 -0.003785 -0.024176 0.020199 -0.008215 0.011788 -0.024812 0Rh 1f+3 -0.010278 0.013370 -0.012054 -0.020174 -0.008503 -0.068783 0Rh 1f-3 -0.001999 0.013466 0.030617 -0.014159 -0.002111 -0.044915 1Rh 1s -0.001140 0.000539 0.002613 -0.002023 0.004046 0.004234 1Rh 2s 0.011087 -0.004911 -0.023265 0.020115 -0.033325 -0.042515 1Rh 3s -0.000138 0.000263 0.001609 0.000010 0.004128 -0.000269 1Rh 4s -0.061516 0.027352 0.129563 -0.112026 0.186285 0.236265 1Rh 5s 0.144256 -0.063682 -0.297008 0.266454 -0.418345 -0.550880 1Rh 6s -0.153798 0.065659 0.285177 -0.295307 0.356325 0.550353 1Rh 7s 0.239724 -0.103883 -0.436269 0.489951 -0.063650 -0.656471 1Rh 8s -0.048934 -0.116527 0.096332 -0.003720 -0.117122 0.729036 1Rh 1pz 0.007157 -0.001320 0.001208 -0.008647 0.003978 0.002464 1Rh 1px 0.005600 -0.000227 0.001322 0.005154 -0.003551 -0.006941 1Rh 1py -0.000551 -0.003513 -0.002434 0.000968 -0.000124 -0.003910 1Rh 2pz -0.027606 0.004952 -0.004728 0.033739 -0.016282 -0.008945 1Rh 2px -0.022111 0.001223 -0.005292 -0.021228 0.013048 0.025324 1Rh 2py 0.002052 0.013407 0.010319 -0.004023 0.000384 0.014975 1Rh 3pz 0.055400 -0.006842 0.010612 -0.075372 0.052706 0.005918 1Rh 3px 0.055211 -0.009745 0.014344 0.070800 -0.011626 -0.019645 1Rh 3py -0.002668 -0.023672 -0.040693 0.013992 0.001208 -0.027483 1Rh 4pz 0.002491 -0.014513 -0.002649 0.028084 -0.088509 0.051911 1Rh 4px -0.044929 0.030559 -0.013053 -0.118835 -0.069007 -0.132787 1Rh 4py -0.005968 -0.016226 0.088554 -0.024116 -0.008521 -0.012444 1Rh 5pz -0.093382 0.043002 -0.017294 0.062391 0.144277 -0.100498 1Rh 5px 0.013774 -0.044201 -0.007728 0.149324 0.192414 0.241471 1Rh 5py 0.014832 0.079279 -0.154139 0.025417 0.016288 0.057365 1Rh 6pz -0.146436 0.030033 0.075121 -0.064001 -0.710777 -0.438265 1Rh 6px -0.145441 -0.141020 0.182668 -0.206352 -0.336350 2.069852 1Rh 6py 0.028236 -0.266587 0.382825 0.134208 0.029550 0.359891 1Rh 1dz2 0.023725 -0.015072 0.026266 -0.003338 -0.029247 0.075201 1Rh 1dxz -0.048770 0.001492 -0.017069 0.086465 0.057878 0.093735 1Rh 1dyz -0.058073 0.001756 0.066832 0.032361 0.046361 0.002946 1Rh 1dx2y2 -0.048039 0.004868 0.020887 -0.016133 0.038824 -0.153341 1Rh 1dxy -0.006632 0.055081 -0.025656 0.011077 0.023131 -0.043478 1Rh 2dz2 0.002273 -0.002426 0.003206 0.000520 -0.006036 0.012356 1Rh 2dxz -0.006333 -0.000270 -0.002712 0.011684 0.011066 0.015564 1Rh 2dyz -0.009322 0.000995 0.009090 0.005518 0.007566 0.000639 1Rh 2dx2y2 -0.006808 0.000971 0.003797 -0.002564 0.006915 -0.025429 1Rh 2dxy -0.001625 0.007795 -0.007408 0.001951 0.003351 -0.007803 1Rh 3dz2 -0.099163 0.068281 -0.114053 0.009869 0.139079 -0.344660 1Rh 3dxz 0.211711 -0.004121 0.077082 -0.380872 -0.271902 -0.431527 1Rh 3dyz 0.260891 -0.010395 -0.294891 -0.147859 -0.211836 -0.013811 1Rh 3dx2y2 0.211505 -0.022958 -0.096628 0.073108 -0.179576 0.705278 1Rh 3dxy 0.032267 -0.243506 0.131501 -0.050762 -0.103408 0.203308 1Rh 4dz2 0.128769 -0.103625 0.160707 -0.002097 -0.213314 0.531059 1Rh 4dxz -0.288885 -0.000637 -0.112231 0.537760 0.420873 0.673142 1Rh 4dyz -0.374520 0.009730 0.422918 0.218251 0.318872 0.023434 1Rh 4dx2y2 -0.295576 0.037577 0.144677 -0.111468 0.266827 -1.094765 1Rh 4dxy -0.050781 0.339647 -0.217417 0.073675 0.149119 -0.325699 1Rh 5dz2 -0.102017 0.154174 -0.185076 -0.050863 0.192485 -0.761160 1Rh 5dxz 0.227805 0.040105 0.101583 -0.465788 -0.503248 -1.020121 1Rh 5dyz 0.309453 0.080767 -0.477520 -0.191382 -0.369725 -0.078105 1Rh 5dx2y2 0.247863 -0.078992 -0.146982 0.169436 -0.216191 1.594548 1Rh 5dxy 0.049896 -0.237612 0.243821 -0.047344 -0.129760 0.536235 1Rh 1f0 0.011138 0.001211 0.000768 0.012835 0.022592 0.047735 1Rh 1f+1 0.002586 -0.005433 -0.010754 -0.021492 0.029673 -0.038224 1Rh 1f-1 -0.009517 0.016869 -0.002761 0.006710 0.003785 -0.004023 1Rh 1f+2 0.000336 0.017005 0.003537 -0.015032 -0.027377 -0.059416 1Rh 1f-2 -0.004235 -0.023587 -0.021656 -0.006302 -0.013698 -0.023856 1Rh 1f+3 -0.010454 0.013087 0.010484 -0.021283 0.003395 -0.069007 1Rh 1f-3 -0.002162 0.014423 -0.031195 -0.011209 -0.001252 -0.045277 2C 1s -0.002438 -0.005062 -0.007322 -0.005722 0.005705 0.001077 2C 2s -0.008335 -0.014596 -0.022399 -0.015865 0.017885 0.004203 2C 3s 0.210082 0.055868 0.254853 -0.000284 -0.135550 -0.096787 2C 4s -1.086963 0.523773 -0.512717 0.995488 -0.299634 0.337800 2C 5s 0.534332 -0.517063 -0.049352 -0.521288 -0.381657 -0.017881 2C 1pz 0.042458 0.084481 0.133510 0.070416 -0.102048 -0.036666 2C 1px 0.021089 0.032210 0.026656 0.022662 -0.024433 -0.009038 2C 1py 0.063834 0.050886 0.094713 0.055302 -0.068846 -0.026070 2C 2pz -0.205875 0.302687 -0.249581 0.700344 -0.292164 0.112806 2C 2px -0.902293 -0.894021 -1.068356 -0.784444 1.088534 0.366933 2C 2py -1.092498 0.058336 -0.423768 0.015605 0.283094 0.193271 2C 3pz -0.024419 -0.160387 -0.110828 -0.145087 0.020514 0.059977 2C 3px 0.161169 0.198794 0.189995 0.184515 -0.357834 -0.255448 2C 3py 0.187056 -0.026703 -0.012085 -0.029301 -0.124391 -0.026448 2C 1dz2 0.031954 0.080560 0.084644 0.057005 -0.061405 -0.053599 2C 1dxz 0.056788 0.080842 0.131782 0.061003 -0.064186 0.046452 2C 1dyz -0.105595 -0.036730 -0.038371 -0.027513 0.062952 0.000206 2C 1dx2y2 -0.140669 -0.145441 -0.159473 -0.179990 0.193037 0.038748 2C 1dxy 0.125297 -0.008839 0.017177 0.029066 -0.026995 0.045056 2C 2dz2 -0.022617 -0.098542 -0.195306 0.030566 0.114793 0.066787 2C 2dxz -0.120760 0.073513 0.044707 0.128789 -0.178852 -0.072409 2C 2dyz -0.447184 -0.235887 -0.502342 -0.222329 0.430299 0.165671 2C 2dx2y2 -0.111535 -0.231622 -0.180896 -0.210311 0.269070 0.059022 2C 2dxy -0.024870 -0.033560 -0.074482 0.047595 -0.036793 -0.013963 2C 1f0 0.156738 -0.026416 0.003798 0.001414 0.045193 0.008650 2C 1f+1 0.057478 -0.235284 -0.085496 -0.237247 0.199123 0.011212 2C 1f-1 0.099552 0.052654 -0.025794 0.069409 -0.022968 0.013354 2C 1f+2 0.169677 0.060678 0.115956 0.094258 -0.122924 -0.035393 2C 1f-2 -0.177207 -0.141044 -0.079245 -0.128990 0.091723 0.014574 2C 1f+3 -0.218693 -0.208101 -0.211510 -0.216506 0.208536 0.027999 2C 1f-3 -0.094621 -0.142909 -0.138027 -0.181150 0.191618 0.033959 3C 1s -0.000447 0.005883 0.005428 -0.004363 0.003324 0.000861 3C 2s -0.003396 0.017024 0.017749 -0.012185 0.010755 0.003137 3C 3s 0.191888 -0.093772 -0.260657 0.045757 -0.141859 -0.024813 3C 4s -1.117629 -0.364850 0.739021 0.390597 0.250963 -0.140864 3C 5s 0.767332 0.301327 -0.135340 -0.345549 0.385733 0.261654 3C 1pz 0.024991 -0.056627 -0.073971 0.030080 -0.038620 -0.011783 3C 1px 0.010626 -0.052201 -0.050405 0.037786 -0.023717 -0.012582 3C 1py -0.036539 0.087646 0.105969 -0.063442 0.064283 0.030579 3C 2pz -0.291523 -0.281390 0.072680 0.387226 -0.214924 -0.230824 3C 2px -0.475334 1.123575 1.417296 -0.947243 0.953394 0.405847 3C 2py 0.613430 0.236918 -0.340722 -0.210600 -0.143979 0.108712 3C 3pz 0.011947 0.136758 0.045271 -0.069496 0.152400 0.120999 3C 3px 0.139263 -0.222469 -0.285816 0.191900 -0.176090 -0.250664 3C 3py -0.133863 -0.079651 -0.058726 0.125820 -0.131939 -0.083333 3C 1dz2 -0.003121 0.014237 0.039730 -0.031941 -0.000565 -0.023891 3C 1dxz 0.039692 -0.219854 -0.226002 0.178927 -0.140953 -0.024631 3C 1dyz 0.022118 -0.032549 -0.077957 0.064427 -0.077580 0.020328 3C 1dx2y2 -0.016101 0.087918 0.079327 -0.084346 0.082982 0.075725 3C 1dxy 0.009810 -0.028969 -0.030016 0.018586 -0.042119 -0.074216 3C 2dz2 0.037732 0.015673 -0.038996 0.067664 -0.024976 -0.004392 3C 2dxz 0.023246 -0.253400 -0.237220 0.259405 -0.280411 -0.158854 3C 2dyz 0.266019 -0.324994 -0.482583 0.199930 -0.329164 -0.114008 3C 2dx2y2 0.103771 0.008144 -0.087167 -0.000187 -0.063370 -0.011403 3C 2dxy 0.113241 -0.168219 -0.254399 0.124806 -0.068194 0.024007 3C 1f0 0.037134 -0.143392 -0.160798 0.120268 -0.096228 -0.029373 3C 1f+1 -0.045655 0.195663 0.179701 -0.151098 0.176282 0.059628 3C 1f-1 0.018252 0.061749 -0.011741 -0.087825 0.062028 0.040306 3C 1f+2 0.013305 0.264898 0.162718 -0.230275 0.163544 0.057992 3C 1f-2 0.059536 -0.305743 -0.263459 0.235878 -0.213693 -0.073683 3C 1f+3 0.023136 0.121131 0.042523 -0.088835 0.042548 0.037631 3C 1f-3 -0.018772 -0.004478 0.010799 0.009132 -0.060464 -0.042623 4C 1s 0.003359 -0.011788 -0.004162 -0.015101 0.014769 0.000927 4C 2s 0.007494 -0.030905 -0.014154 -0.038651 0.036524 0.003022 4C 3s 0.089667 0.215021 0.262962 0.200996 -0.192079 -0.080342 4C 4s -0.535265 0.148001 -0.531210 0.466954 -0.534722 0.274488 4C 5s -0.548509 -0.141707 -0.486091 0.024873 0.386289 0.302159 4C 1pz 0.101599 -0.119054 -0.052833 -0.143670 0.083863 0.010020 4C 1px -0.043497 -0.018343 -0.037670 -0.032302 0.047519 -0.048690 4C 1py 0.002348 -0.068327 -0.043136 -0.102628 0.070625 -0.012657 4C 2pz -1.328324 0.472066 -0.556418 0.948709 -0.357859 0.309224 4C 2px -0.157433 -0.181244 -0.742464 -0.275744 0.734046 0.251492 4C 2py -0.597663 0.145474 -0.598600 0.516330 0.027819 0.267345 4C 3pz 0.299986 -0.169975 -0.154441 -0.183029 -0.613418 -0.074770 4C 3px 0.112483 -0.169239 -0.154519 -0.162518 0.069860 0.216455 4C 3py 0.171636 -0.219109 -0.151466 -0.111501 -0.353548 0.007070 4C 1dz2 0.072138 0.117666 0.125477 0.133024 -0.126246 0.051062 4C 1dxz 0.008984 -0.030624 0.051014 -0.074581 0.022721 -0.124994 4C 1dyz -0.096676 0.134846 0.043349 0.188340 -0.164616 0.004153 4C 1dx2y2 -0.040481 -0.011992 -0.112092 -0.003578 0.018503 0.019018 4C 1dxy -0.075608 0.015155 -0.054214 0.006633 -0.013355 -0.076019 4C 2dz2 0.574891 -0.171640 0.181605 -0.222591 -0.001826 -0.235473 4C 2dxz 0.132546 -0.341861 -0.199505 -0.433788 0.506131 0.213677 4C 2dyz 0.261728 -0.207980 0.049795 -0.420336 0.247572 -0.061089 4C 2dx2y2 -0.249606 0.136579 -0.068744 0.370497 -0.183072 0.087080 4C 2dxy -0.237049 -0.202584 -0.358697 -0.148254 0.186292 0.253649 4C 1f0 -0.229181 -0.190142 -0.159023 -0.257949 0.210185 0.035216 4C 1f+1 0.239030 0.198714 0.343390 0.107683 -0.173545 -0.109215 4C 1f-1 -0.069630 0.036478 0.065723 0.052363 -0.014945 0.001765 4C 1f+2 -0.177633 0.156080 0.005704 0.191295 -0.166110 0.004498 4C 1f-2 0.110098 0.208028 0.108238 0.219040 -0.202113 -0.038066 4C 1f+3 0.026211 0.166096 0.124309 0.231413 -0.279610 -0.046202 4C 1f-3 0.213389 -0.014200 0.201817 -0.023849 -0.096199 -0.074640 5C 1s 0.003248 0.011408 0.004250 -0.008152 0.005971 0.003570 5C 2s 0.007281 0.030085 0.012052 -0.021199 0.014371 0.009010 5C 3s 0.037092 -0.219460 -0.141553 0.152367 0.036134 -0.047221 5C 4s -0.385811 -0.141886 0.141374 0.121681 -0.743965 -0.106093 5C 5s -0.568430 0.215743 0.453794 -0.160245 0.209374 0.046200 5C 1pz 0.029371 0.062915 0.015350 -0.031870 0.017092 0.031728 5C 1px 0.059191 0.046488 0.039134 -0.077745 0.038852 -0.024227 5C 1py -0.065119 -0.095380 -0.013549 0.070905 -0.043519 -0.046051 5C 2pz -0.441555 -0.272501 0.217040 0.147985 -0.150315 -0.105060 5C 2px -0.831638 0.222634 0.837783 0.001719 0.595906 0.054100 5C 2py 0.972574 0.208657 -0.743925 -0.253488 0.056006 0.168807 5C 3pz 0.310553 -0.034250 -0.029452 -0.154491 0.191078 0.003343 5C 3px 0.005617 0.103532 0.052150 -0.079152 0.278060 0.222196 5C 3py -0.420063 -0.100520 0.054177 0.138294 -0.370438 -0.030424 5C 1dz2 0.039895 0.018933 -0.014071 -0.027380 0.027106 0.052596 5C 1dxz 0.002437 0.005543 -0.023632 -0.011865 0.003736 -0.067371 5C 1dyz 0.085580 0.154641 0.029856 -0.122209 0.094129 0.001718 5C 1dx2y2 -0.031461 0.117495 0.139139 -0.104830 0.061124 -0.037460 5C 1dxy 0.035974 -0.032708 -0.014537 0.028550 -0.028916 0.119620 5C 2dz2 0.086760 -0.076242 -0.083384 0.115612 -0.126870 -0.126507 5C 2dxz 0.189432 0.296021 0.086539 -0.231945 0.303066 0.215537 5C 2dyz -0.284951 -0.103877 0.206307 0.066459 0.124449 0.066889 5C 2dx2y2 -0.476827 -0.046148 0.374316 0.098084 0.062871 0.048255 5C 2dxy -0.162102 -0.297603 -0.243092 0.274261 -0.130747 -0.332099 5C 1f0 0.025869 0.105971 0.055216 -0.063128 0.053245 0.051040 5C 1f+1 0.132027 -0.006929 -0.178535 -0.001247 0.005250 0.010740 5C 1f-1 -0.027661 -0.032676 0.004867 0.060766 -0.014688 -0.042027 5C 1f+2 0.102835 -0.218418 -0.240117 0.160692 -0.175921 -0.084980 5C 1f-2 -0.053354 0.114543 0.163323 -0.078822 -0.015702 0.019285 5C 1f+3 0.179505 -0.358290 -0.363389 0.278263 -0.326184 -0.112148 5C 1f-3 -0.057746 -0.287349 -0.140689 0.229079 -0.231481 -0.089717 6C 1s -0.003579 -0.011879 0.004908 0.007894 0.005732 -0.003960 6C 2s -0.008223 -0.031333 0.013784 0.020419 0.013781 -0.009942 6C 3s -0.024856 0.228239 -0.155571 -0.139823 0.037621 0.042934 6C 4s 0.366254 0.150665 0.140219 -0.144853 -0.730631 0.164335 6C 5s 0.563654 -0.236754 0.475151 0.119927 0.211280 -0.058610 6C 1pz 0.032132 0.064984 -0.017529 -0.031134 -0.014664 0.032860 6C 1px 0.061290 0.048813 -0.045362 -0.074384 -0.040697 -0.021666 6C 1py -0.066702 -0.098561 0.019247 0.070691 0.040353 -0.049071 6C 2pz -0.446901 -0.269573 -0.210800 0.171063 0.137474 -0.111823 6C 2px -0.849493 0.247959 -0.844754 0.082190 -0.589929 0.096192 6C 2py 0.965933 0.190856 0.729271 -0.327250 -0.039005 0.167732 6C 3pz 0.300653 -0.038940 0.011639 -0.161240 -0.188011 0.017268 6C 3px -0.000772 0.106952 -0.061013 -0.073098 -0.256362 0.242194 6C 3py -0.403037 -0.094644 -0.038519 0.149056 0.360561 -0.056423 6C 1dz2 -0.040113 -0.019425 -0.012222 0.029608 0.023225 -0.054416 6C 1dxz -0.004221 -0.004833 -0.023346 0.013891 0.007845 0.067663 6C 1dyz -0.089173 -0.159405 0.038902 0.120737 0.093371 -0.007772 6C 1dx2y2 0.024869 -0.123606 0.145836 0.091460 0.064306 0.032703 6C 1dxy -0.033774 0.031832 -0.014457 -0.025894 -0.036075 -0.118159 6C 2dz2 -0.089864 0.078479 -0.095144 -0.107218 -0.117644 0.134912 6C 2dxz -0.196821 -0.302843 0.099595 0.224995 0.284710 -0.237067 6C 2dyz 0.293613 0.099757 0.204198 -0.087032 0.119282 -0.077220 6C 2dx2y2 0.474739 0.038471 0.370164 -0.135191 0.057646 -0.051965 6C 2dxy 0.173443 0.312026 -0.266608 -0.253462 -0.106669 0.338839 6C 1f0 0.026462 0.110373 -0.060796 -0.059013 -0.048522 0.053655 6C 1f+1 0.130660 -0.012510 0.179651 -0.018296 -0.003450 0.011174 6C 1f-1 -0.024871 -0.033408 0.000790 0.060714 0.011057 -0.042264 6C 1f+2 0.095561 -0.226941 0.248591 0.136689 0.165952 -0.095599 6C 1f-2 -0.041359 0.121010 -0.166992 -0.062714 0.017375 0.017592 6C 1f+3 0.169968 -0.370871 0.379136 0.241925 0.313715 -0.133648 6C 1f-3 -0.069830 -0.294134 0.150339 0.214925 0.219061 -0.103802 7C 1s -0.002792 0.011797 -0.002503 0.015576 0.014915 -0.002169 7C 2s -0.006037 0.031063 -0.009841 0.040200 0.036838 -0.006069 7C 3s -0.098354 -0.223488 0.234417 -0.226263 -0.188258 0.095343 7C 4s 0.525082 -0.119008 -0.558341 -0.424539 -0.564093 -0.228285 7C 5s 0.562861 0.157137 -0.466466 0.021576 0.365376 -0.341566 7C 1pz 0.096735 -0.119737 0.038880 -0.149371 -0.085099 0.016598 7C 1px -0.045037 -0.018657 0.033773 -0.035712 -0.051037 -0.044764 7C 1py 0.002628 -0.069364 0.032776 -0.107984 -0.073398 -0.006975 7C 2pz -1.299445 0.449105 0.615847 0.896050 0.393943 0.275668 7C 2px -0.162997 -0.201739 0.702023 -0.347633 -0.711206 0.312135 7C 2py -0.609887 0.125575 0.630550 0.463070 0.002956 0.268939 7C 3pz 0.330607 -0.169514 0.136991 -0.190353 0.600719 -0.125058 7C 3px 0.109037 -0.173213 0.133555 -0.176789 -0.055756 0.224814 7C 3py 0.188488 -0.220592 0.139306 -0.121037 0.349896 -0.020463 7C 1dz2 -0.070173 -0.118602 0.106692 -0.144102 -0.129445 -0.041139 7C 1dxz -0.009104 0.027007 0.058644 0.068341 0.031852 0.122160 7C 1dyz 0.088735 -0.135172 0.025821 -0.194271 -0.169008 0.009850 7C 1dx2y2 0.040937 0.015779 -0.110443 0.014704 0.017111 -0.019918 7C 1dxy 0.073308 -0.013543 -0.053775 -0.001530 -0.007712 0.076990 7C 2dz2 -0.557453 0.163785 0.193932 0.204944 0.019693 0.234813 7C 2dxz -0.114791 0.343770 -0.157776 0.453486 0.493573 -0.254669 7C 2dyz -0.258635 0.207174 0.084403 0.418906 0.260774 0.040223 7C 2dx2y2 0.255435 -0.131689 -0.098838 -0.367539 -0.195861 -0.071709 7C 2dxy 0.232397 0.209618 -0.332191 0.178766 0.163685 -0.267526 7C 1f0 -0.210106 -0.187550 0.120295 -0.268962 -0.205241 0.051892 7C 1f+1 0.237642 0.202570 -0.316327 0.134562 0.160810 -0.121995 7C 1f-1 -0.068809 0.038476 -0.060943 0.058141 0.014901 0.001087 7C 1f+2 -0.167723 0.151081 0.013001 0.188295 0.165477 -0.010069 7C 1f-2 0.111127 0.207869 -0.079353 0.227813 0.200400 -0.054958 7C 1f+3 0.030754 0.168423 -0.096744 0.244214 0.278245 -0.069333 7C 1f-3 0.209575 -0.006569 -0.198418 -0.003608 0.090119 -0.082165 8C 1s 0.000271 -0.006188 0.005780 0.003898 0.003305 -0.001098 8C 2s 0.002918 -0.017989 0.018754 0.010656 0.010660 -0.003931 8C 3s -0.191246 0.104567 -0.266187 -0.022481 -0.141389 0.036619 8C 4s 1.138237 0.349518 0.717232 -0.461905 0.263015 0.115023 8C 5s -0.762413 -0.297809 -0.104550 0.365738 0.356105 -0.288708 8C 1pz 0.023084 -0.060248 0.076303 0.023690 0.037974 -0.014765 8C 1px 0.007855 -0.055062 0.053214 0.033355 0.023007 -0.014485 8C 1py -0.034514 0.093317 -0.111844 -0.054367 -0.062841 0.035541 8C 2pz -0.287426 -0.280901 -0.046768 0.391829 0.195774 -0.243129 8C 2px -0.427113 1.179436 -1.477294 -0.809562 -0.911967 0.468099 8C 2py 0.638207 0.227523 0.333452 -0.242027 0.157946 0.092330 8C 3pz 0.009966 0.139277 -0.050172 -0.065880 -0.141118 0.131059 8C 3px 0.129585 -0.233882 0.296980 0.162767 0.154544 -0.260405 8C 3py -0.135312 -0.082039 0.069829 0.121737 0.122842 -0.092583 8C 1dz2 -0.001385 -0.012366 0.038238 0.025635 -0.000837 0.025012 8C 1dxz -0.028812 0.228629 -0.236737 -0.156221 -0.136158 0.032854 8C 1dyz -0.023006 0.036898 -0.083994 -0.057793 -0.079917 -0.014203 8C 1dx2y2 0.015872 -0.093621 0.087193 0.078398 0.078351 -0.082064 8C 1dxy -0.007569 0.027156 -0.027421 -0.013538 -0.032944 0.075461 8C 2dz2 -0.042764 -0.007420 -0.053384 -0.068378 -0.032425 0.009960 8C 2dxz -0.016913 0.259937 -0.250948 -0.233745 -0.262129 0.174910 8C 2dyz -0.259452 0.348768 -0.500211 -0.157500 -0.321804 0.138726 8C 2dx2y2 -0.106518 -0.007458 -0.086034 0.009803 -0.060886 0.015175 8C 2dxy -0.100421 0.177772 -0.261567 -0.099245 -0.068394 -0.019939 8C 1f0 0.029072 -0.147177 0.164982 0.102634 0.091045 -0.034608 8C 1f+1 -0.037480 0.204271 -0.188572 -0.135112 -0.169618 0.070918 8C 1f-1 0.017820 0.059581 0.006721 -0.086667 -0.055637 0.042758 8C 1f+2 0.026178 0.271474 -0.174568 -0.213318 -0.155073 0.067215 8C 1f-2 0.043842 -0.314835 0.274005 0.208785 0.203203 -0.086743 8C 1f+3 0.025231 0.130684 -0.054516 -0.089098 -0.043063 0.042219 8C 1f-3 -0.009964 -0.006706 -0.005028 0.012118 0.058842 -0.047246 9C 1s 0.002563 0.005260 -0.006569 0.006453 0.005701 -0.001500 9C 2s 0.008697 0.015184 -0.020235 0.018103 0.017771 -0.005558 9C 3s -0.210637 -0.062853 0.246151 -0.024830 -0.127887 0.107248 9C 4s 1.064814 -0.505457 -0.584180 -0.948342 -0.340597 -0.312318 9C 5s -0.552739 0.510331 0.002072 0.517933 -0.369848 0.049748 9C 1pz 0.046147 0.087861 -0.122811 0.083653 0.099873 -0.044409 9C 1px 0.021916 0.032493 -0.022893 0.025029 0.023852 -0.010960 9C 1py 0.063722 0.053727 -0.086552 0.065131 0.068112 -0.031642 9C 2pz -0.221497 0.288393 0.307916 0.674007 0.308553 0.085806 9C 2px -0.905127 -0.905115 0.941148 -0.873900 -1.054421 0.454014 9C 2py -1.054237 0.047353 0.405502 -0.024848 -0.268008 0.216846 9C 3pz -0.017650 -0.160464 0.092135 -0.153249 -0.018905 0.061604 9C 3px 0.167005 0.200980 -0.160839 0.200085 0.335857 -0.285640 9C 3py 0.186593 -0.027022 0.011400 -0.030488 0.123312 -0.038500 9C 1dz2 -0.031505 -0.080876 0.073446 -0.063509 -0.056249 0.057595 9C 1dxz -0.064230 -0.086809 0.125111 -0.076517 -0.071549 -0.040363 9C 1dyz 0.102711 0.034027 -0.030220 0.028718 0.060929 -0.004940 9C 1dx2y2 0.141891 0.145503 -0.134615 0.193387 0.189667 -0.053955 9C 1dxy -0.113550 0.013809 0.009432 -0.024585 -0.023827 -0.044770 9C 2dz2 0.032963 0.104908 -0.191142 -0.010440 0.109398 -0.075005 9C 2dxz 0.112067 -0.077176 0.034486 -0.137432 -0.180188 0.090540 9C 2dyz 0.448656 0.245816 -0.460306 0.269459 0.417005 -0.199336 9C 2dx2y2 0.115031 0.228872 -0.147294 0.223276 0.261891 -0.080500 9C 2dxy 0.042147 0.045597 -0.086318 -0.029733 -0.023862 0.013374 9C 1f0 0.143653 -0.023874 -0.001726 0.004699 -0.041498 0.012115 9C 1f+1 0.040066 -0.237133 0.061061 -0.248244 -0.205117 0.029689 9C 1f-1 0.092103 0.045299 0.038993 0.060489 0.019073 0.011752 9C 1f+2 0.158234 0.058559 -0.096564 0.100855 0.115766 -0.044660 9C 1f-2 -0.166019 -0.136712 0.055535 -0.131037 -0.086167 0.020854 9C 1f+3 -0.208916 -0.203243 0.173172 -0.227215 -0.198122 0.041819 9C 1f-3 -0.097323 -0.148779 0.117716 -0.199160 -0.194862 0.050472 10H 1s 0.082412 0.124871 0.114907 0.146431 -0.188231 -0.044406 10H 2s 0.542739 0.591561 0.675298 0.579602 -0.770514 -0.245198 10H 3s -0.269051 -0.180284 -0.250834 -0.164148 0.342496 0.170883 10H 1pz 0.182672 0.080172 0.167872 0.061567 -0.129429 -0.055736 10H 1px -0.210223 -0.290693 -0.285884 -0.306273 0.345965 0.061206 10H 1py 0.021198 -0.019297 0.024337 -0.036172 0.001339 -0.018989 11H 1s 0.011585 -0.106604 -0.106466 -0.110852 0.136629 0.029047 11H 2s -0.002021 -0.366671 -0.417147 -0.258633 0.336789 0.075899 11H 3s -0.040194 0.189858 0.122872 0.138767 -0.141522 -0.096734 11H 1pz -0.002556 -0.103365 -0.139086 -0.058780 0.072682 0.011066 11H 1px -0.030491 -0.151920 -0.156814 -0.121638 0.154491 0.028091 11H 1py -0.053990 0.019571 0.007848 0.008104 -0.019759 -0.000236 12H 1s -0.142142 -0.148121 -0.160255 -0.155319 0.193439 0.036284 12H 2s -0.649232 -0.364598 -0.442374 -0.529585 0.614924 0.116913 12H 3s 0.228497 0.193994 0.129487 0.236236 -0.264938 -0.114665 12H 1pz 0.141284 0.039697 0.055349 0.031775 -0.052432 -0.008054 12H 1px -0.144326 -0.124221 -0.123300 -0.163182 0.191913 0.029637 12H 1py -0.256371 -0.124824 -0.153887 -0.196453 0.224075 0.023956 13H 1s 0.059533 -0.168291 -0.172212 0.136555 -0.177647 -0.071639 13H 2s 0.190601 -0.701879 -0.780638 0.646151 -0.648582 -0.330562 13H 3s -0.147332 0.234723 0.303456 -0.217745 0.224884 0.170266 13H 1pz 0.063834 -0.168528 -0.215308 0.157441 -0.156245 -0.069887 13H 1px -0.052769 0.326186 0.298541 -0.281917 0.268319 0.101925 13H 1py -0.065363 0.041712 0.124255 -0.052047 0.062962 0.025533 14H 1s -0.023498 0.200546 0.193373 -0.178602 0.168491 0.065992 14H 2s -0.134000 0.658464 0.703788 -0.529279 0.466239 0.178138 14H 3s -0.007408 -0.267250 -0.282391 0.243337 -0.163476 -0.171639 14H 1pz -0.000076 0.088531 0.100684 -0.069969 0.044040 0.010794 14H 1px -0.052614 0.305480 0.313741 -0.250197 0.216292 0.071394 14H 1py -0.040583 0.059305 0.078532 -0.060843 0.067455 0.003593 15H 1s -0.008410 0.097957 0.083805 -0.072265 0.072093 0.040072 15H 2s -0.074725 0.234895 0.243496 -0.257846 0.291780 0.088873 15H 3s -0.002824 -0.136487 -0.059050 0.108947 -0.122580 -0.108787 15H 1pz 0.018935 -0.049183 -0.043040 0.049197 -0.072047 -0.021348 15H 1px -0.018604 0.101184 0.095999 -0.094742 0.092137 0.034246 15H 1py 0.015737 -0.075849 -0.087274 0.097449 -0.096225 -0.022280 16H 1s 0.427280 -0.083479 -0.161254 -0.108561 0.209285 0.056065 16H 2s 0.672095 -0.134122 -0.350236 -0.359116 0.374280 0.017525 16H 3s -0.158326 0.038122 0.071139 0.061444 -0.010270 -0.047870 16H 1pz 0.535320 -0.111253 -0.225487 -0.187897 0.267330 0.043233 16H 1px -0.080378 0.011164 0.035371 0.057097 -0.063554 0.058339 16H 1py 0.290200 -0.051459 -0.094785 -0.085200 0.138979 0.020452 17H 1s -0.389618 0.037735 0.177627 0.179453 -0.191615 0.060011 17H 2s -0.703922 0.078126 0.060401 0.135175 -0.361521 0.015491 17H 3s 0.155494 -0.044529 -0.072477 -0.029352 0.046561 -0.039624 17H 1pz 0.274046 -0.022052 -0.083691 -0.102168 0.116170 -0.068002 17H 1px 0.378367 -0.036112 -0.084374 -0.125349 0.208514 0.020087 17H 1py -0.338461 0.041022 0.130103 0.135213 -0.170785 0.029433 18H 1s 0.366032 -0.048135 0.165195 -0.198941 -0.198965 -0.044282 18H 2s 0.654853 -0.088812 0.059597 -0.143692 -0.368236 0.015809 18H 3s -0.146680 0.047614 -0.069569 0.036653 0.050085 0.035382 18H 1pz 0.264772 -0.029345 0.080707 -0.115309 -0.127938 -0.058378 18H 1px 0.354471 -0.043805 0.078772 -0.135924 -0.210642 0.037649 18H 1py -0.308459 0.048312 -0.119118 0.145974 0.170711 0.014218 19H 1s -0.401167 0.093270 -0.156278 0.125882 0.207414 -0.072666 19H 2s -0.637206 0.152052 -0.324302 0.396960 0.374957 -0.046077 19H 3s 0.151352 -0.042044 0.065707 -0.068642 -0.008106 0.048768 19H 1pz 0.498755 -0.122580 0.211913 -0.209681 -0.262914 0.063435 19H 1px -0.079678 0.014313 -0.033491 0.062446 0.070279 0.052442 19H 1py 0.283664 -0.060343 0.095058 -0.100086 -0.144481 0.033398 20H 1s 0.007433 -0.103541 0.090487 0.065608 0.069639 -0.045560 20H 2s 0.080361 -0.251491 0.267697 0.238188 0.290343 -0.111818 20H 3s 0.001902 0.142284 -0.069307 -0.105434 -0.115992 0.118443 20H 1pz 0.022208 -0.052291 0.048168 0.045815 0.070871 -0.026585 20H 1px -0.016110 0.106320 -0.102852 -0.086357 -0.090008 0.040768 20H 1py 0.017553 -0.081336 0.095804 0.090089 0.096414 -0.029915 21H 1s 0.014903 -0.207692 0.202921 0.159286 0.160658 -0.076276 21H 2s 0.100319 -0.683864 0.732408 0.457701 0.441786 -0.204104 21H 3s 0.021778 0.277532 -0.297140 -0.215129 -0.145518 0.179539 21H 1pz 0.005779 0.094408 -0.106753 -0.061076 -0.043223 0.013375 21H 1px -0.037079 0.316166 -0.326391 -0.217839 -0.205549 0.083623 21H 1py -0.036134 0.061227 -0.080468 -0.052626 -0.065881 0.007904 22H 1s -0.055551 0.174128 -0.179639 -0.119358 -0.169216 0.082777 22H 2s -0.167849 0.733751 -0.823644 -0.570223 -0.616581 0.373157 22H 3s 0.139025 -0.247025 0.318210 0.187907 0.209896 -0.184223 22H 1pz 0.058499 -0.175639 0.224821 0.135244 0.148377 -0.079700 22H 1px -0.041524 0.339480 -0.316681 -0.253404 -0.257380 0.119244 22H 1py -0.063930 0.047126 -0.129434 -0.040769 -0.062088 0.030605 23H 1s 0.138307 0.147957 -0.135565 0.167493 0.188424 -0.050871 23H 2s 0.626369 0.362188 -0.364170 0.562270 0.600315 -0.164478 23H 3s -0.222629 -0.191441 0.095432 -0.243662 -0.255226 0.136092 23H 1pz 0.133273 0.038424 -0.045525 0.034947 0.049878 -0.012024 23H 1px -0.137642 -0.121622 0.098211 -0.169495 -0.185378 0.044423 23H 1py -0.248614 -0.125226 0.127239 -0.209848 -0.222445 0.041801 24H 1s -0.003641 0.109473 -0.093281 0.122438 0.137283 -0.040714 24H 2s 0.031986 0.379644 -0.381986 0.302417 0.337794 -0.104970 24H 3s 0.027171 -0.193702 0.105171 -0.151335 -0.136420 0.110298 24H 1pz -0.009974 -0.106747 0.129060 -0.072323 -0.072392 0.016425 24H 1px -0.038510 -0.156504 0.140539 -0.137879 -0.155220 0.041241 24H 1py -0.045735 0.019031 -0.007015 0.008349 0.019868 -0.002060 25H 1s -0.081233 -0.124248 0.093411 -0.154891 -0.183972 0.060290 25H 2s -0.545992 -0.596805 0.587527 -0.637222 -0.750058 0.308788 25H 3s 0.272461 0.183363 -0.222725 0.185867 0.327609 -0.199367 25H 1pz 0.182010 0.084265 -0.156307 0.077765 0.125566 -0.066695 25H 1px -0.211131 -0.291346 0.241701 -0.329428 -0.340137 0.089413 25H 1py 0.021794 -0.020525 -0.026453 -0.036350 -0.005701 -0.018351 26O 1s -0.004187 -0.007013 -0.013435 -0.005056 0.004425 0.006266 26O 2s -0.008513 -0.023808 -0.040022 -0.018685 0.013141 0.019705 26O 3s -0.067643 0.182257 0.175529 0.174975 -0.041608 -0.113191 26O 4s 0.610151 -0.330192 0.110007 -0.430660 -0.224156 0.066492 26O 5s 0.403185 0.523319 1.308160 0.250227 0.199478 -1.166718 26O 1pz -0.030715 -0.014818 0.020631 -0.011951 -0.010807 0.025997 26O 1px -0.024814 -0.024506 -0.029773 -0.012640 0.038050 0.028733 26O 1py -0.059139 -0.026948 -0.018428 -0.016164 0.003491 0.036114 26O 2pz 0.005000 -0.053683 -0.147005 -0.088319 0.127304 -0.062735 26O 2px -0.335245 0.006508 -0.435821 0.052640 0.126447 0.132520 26O 2py -0.012024 -0.000844 -0.181288 -0.007772 0.130849 -0.016895 26O 3pz -0.130556 0.057275 0.147143 0.105454 0.067242 -0.345321 26O 3px -0.250323 -0.074019 -0.311589 0.136254 -0.029882 -0.035633 26O 3py -0.240245 0.060033 0.054390 0.050807 0.183477 -0.208367 26O 1dz2 -0.001971 0.004140 0.003519 0.010965 -0.011570 0.005806 26O 1dxz -0.021860 -0.029362 -0.024217 -0.027216 0.026163 0.007955 26O 1dyz -0.015062 -0.003365 -0.002598 0.002845 0.010446 0.012863 26O 1dx2y2 -0.004057 0.005876 -0.003006 0.007570 -0.005810 -0.002908 26O 1dxy -0.018298 -0.014351 -0.022681 -0.008083 0.007004 0.005182 26O 2dz2 -0.089983 0.018024 -0.106770 0.043523 0.013958 -0.018425 26O 2dxz 0.088991 0.118529 0.161377 0.120752 -0.132148 -0.059039 26O 2dyz 0.002155 0.083592 0.083286 0.082571 -0.047828 -0.056039 26O 2dx2y2 0.100261 -0.045666 0.117040 -0.065598 0.033993 0.023580 26O 2dxy 0.080802 0.031310 0.139689 0.037917 -0.128282 -0.027427 26O 1f0 -0.018434 -0.028145 -0.026383 -0.039142 0.034180 0.006554 26O 1f+1 -0.000177 -0.000894 0.000230 0.007141 -0.016120 -0.003054 26O 1f-1 -0.002708 -0.000139 0.005889 -0.014406 -0.002479 -0.043848 26O 1f+2 0.016634 0.029563 0.023749 0.028170 -0.022534 -0.000906 26O 1f-2 -0.019675 0.023518 0.006796 0.022262 -0.017112 -0.002648 26O 1f+3 0.002055 0.030954 0.024004 0.028972 -0.035077 -0.021537 26O 1f-3 0.013565 0.011497 0.028458 0.002457 -0.008571 -0.014767 27O 1s -0.008404 0.007325 0.012941 -0.002903 0.005715 0.003632 27O 2s -0.026015 0.023962 0.038607 -0.008541 0.016737 0.011959 27O 3s 0.111636 -0.158171 -0.171177 0.039688 -0.077632 -0.090472 27O 4s 0.198142 0.185784 -0.164083 -0.003082 -0.049274 0.184862 27O 5s 0.778623 -0.396114 -0.946036 0.105909 -0.392265 -0.849525 27O 1pz 0.009084 0.026038 -0.014322 -0.027797 0.001191 0.018203 27O 1px -0.037577 0.047386 0.041711 -0.029091 0.037905 0.030225 27O 1py 0.007197 -0.021716 0.008897 0.016439 0.041928 -0.034939 27O 2pz -0.045040 -0.013605 0.039052 0.044148 0.002395 -0.055795 27O 2px -0.336223 0.033439 0.378496 -0.016493 0.076308 -0.021176 27O 2py 0.138957 -0.104298 -0.191095 0.056110 -0.210564 0.082381 27O 3pz -0.041889 0.020568 -0.010375 -0.000191 -0.174213 -0.243563 27O 3px -0.468395 0.125328 0.330305 0.051182 0.045833 -0.330101 27O 3py 0.210621 -0.004269 0.095287 -0.029465 0.011382 0.412621 27O 1dz2 0.007098 -0.008394 -0.006939 0.004516 -0.016340 -0.001027 27O 1dxz 0.000113 0.017498 0.014977 -0.016875 0.017165 0.008518 27O 1dyz -0.009490 0.012263 -0.002260 -0.004510 -0.001743 -0.009446 27O 1dx2y2 -0.013732 0.003779 0.006878 0.002622 -0.013004 -0.011018 27O 1dxy 0.008650 -0.037341 -0.040618 0.026603 -0.021642 -0.012288 27O 2dz2 -0.068916 0.022836 0.115119 -0.019640 0.009294 -0.010190 27O 2dxz 0.018211 -0.075339 -0.087591 0.038339 -0.026155 -0.070465 27O 2dyz 0.009044 0.023548 -0.007508 -0.012629 0.004085 0.048599 27O 2dx2y2 0.106486 0.020096 -0.110663 -0.017066 0.001125 0.086192 27O 2dxy -0.077061 0.169054 0.177683 -0.139731 0.222667 0.083735 27O 1f0 0.011370 0.013408 0.019200 -0.009277 0.020819 0.042802 27O 1f+1 0.012697 -0.015731 -0.014082 0.016031 -0.024803 -0.010156 27O 1f-1 -0.003817 0.003590 0.015898 0.004587 0.000621 0.012552 27O 1f+2 0.021183 -0.035808 -0.023849 0.022967 -0.003786 0.016582 27O 1f-2 0.010550 -0.012536 -0.013669 0.006212 0.005708 0.004953 27O 1f+3 0.007562 -0.017526 -0.029699 0.008654 -0.020387 -0.026809 27O 1f-3 0.003985 -0.048806 -0.025909 0.034309 -0.033542 -0.009208 28O 1s -0.007167 0.002208 -0.009404 0.003767 0.000768 -0.000996 28O 2s -0.022617 0.004970 -0.030972 0.008856 0.007255 -0.003964 28O 3s 0.103376 0.022695 0.229936 0.040471 -0.164530 0.050367 28O 4s 0.111544 -0.290500 -0.524289 -0.521815 0.703341 -0.160098 28O 5s 0.515026 -0.327878 0.772500 -0.531107 0.555064 0.657887 28O 1pz -0.022811 -0.005155 -0.062522 -0.007399 0.067961 -0.000531 28O 1px 0.054080 0.003357 0.020116 0.006299 0.006339 -0.004110 28O 1py 0.002371 0.016422 -0.000856 -0.000813 0.047690 -0.011167 28O 2pz -0.139258 0.254065 0.214494 0.419827 -0.505044 0.016702 28O 2px 0.143782 -0.106553 0.063894 -0.266932 0.200426 -0.006219 28O 2py -0.028554 0.042212 0.056237 0.140976 -0.232248 0.034031 28O 3pz -0.388632 0.026777 0.078795 0.235979 0.127461 0.648608 28O 3px 0.294371 -0.120907 0.146333 -0.198958 0.278672 -0.150984 28O 3py -0.176737 0.003740 0.024210 0.038606 0.047240 0.354978 28O 1dz2 0.014187 0.023883 0.012960 0.018770 -0.016342 -0.007984 28O 1dxz 0.010718 -0.012312 0.011957 -0.018970 0.007212 -0.009895 28O 1dyz 0.008291 0.011199 0.002596 0.007786 -0.012698 -0.011824 28O 1dx2y2 -0.019349 -0.008960 -0.008554 -0.004974 0.020091 0.007162 28O 1dxy -0.002461 -0.010452 -0.008975 -0.015864 0.004312 -0.002416 28O 2dz2 -0.045211 -0.111853 -0.114544 -0.115105 0.166519 0.072982 28O 2dxz -0.063706 0.097679 0.027754 0.171269 -0.171969 0.060001 28O 2dyz -0.041131 -0.051325 -0.024431 -0.056633 0.122121 0.064196 28O 2dx2y2 0.103896 0.038303 0.112879 -0.013030 -0.003238 -0.093121 28O 2dxy 0.004430 0.047648 0.006458 0.073912 -0.137545 -0.007795 28O 1f0 0.021736 0.002473 0.005582 0.001026 0.001991 0.002012 28O 1f+1 0.018240 0.015931 0.010318 0.009511 -0.004449 -0.002373 28O 1f-1 -0.022038 0.006464 -0.011998 0.023018 -0.002895 0.038248 28O 1f+2 -0.009878 -0.000921 -0.010402 -0.010481 -0.004363 -0.021784 28O 1f-2 0.006461 0.009143 0.015126 0.021138 -0.013295 0.018634 28O 1f+3 0.014257 0.002960 0.008502 0.012697 0.000642 -0.002069 28O 1f-3 -0.001085 -0.003754 -0.020917 -0.009499 0.007506 -0.012216 29O 1s -0.002123 -0.000376 -0.002855 -0.001802 0.000862 0.016211 29O 2s -0.008060 -0.000461 -0.009564 -0.006900 0.002804 0.055180 29O 3s 0.081110 -0.014777 0.069639 0.070295 -0.018989 -0.432038 29O 4s -0.204772 0.069231 -0.164108 -0.229406 0.029710 0.703566 29O 5s 0.227747 0.002369 0.449937 0.471679 -0.075591 -0.674053 29O 1pz -0.318933 0.061145 0.122685 0.106837 -0.164037 -0.079769 29O 1px -0.106022 -0.007972 0.041860 0.078819 -0.045503 0.220560 29O 1py 0.029244 0.016006 0.018857 -0.003111 0.012837 0.003229 29O 2pz 1.374416 -0.244533 -0.520696 -0.477899 0.693007 0.190453 29O 2px 0.480830 -0.007867 -0.144968 -0.238604 0.219964 -0.515665 29O 2py -0.108826 -0.046762 -0.038831 0.029492 -0.053971 0.020705 29O 3pz -0.008616 0.019339 0.089630 0.047875 0.020158 -0.112091 29O 3px -0.081483 0.010641 -0.069582 -0.126953 0.012813 0.270901 29O 3py -0.036839 0.019985 -0.087235 -0.098105 0.009836 -0.002320 29O 1dz2 0.014062 -0.001727 -0.002462 -0.009306 0.013870 -0.003102 29O 1dxz -0.017025 0.004916 0.003461 0.006012 -0.020748 -0.007417 29O 1dyz 0.007267 -0.002417 -0.004688 -0.003722 -0.004029 -0.004552 29O 1dx2y2 -0.002102 -0.004061 0.000875 0.013046 -0.005650 0.016363 29O 1dxy 0.008792 0.002921 0.014624 0.002972 0.001075 0.011951 29O 2dz2 -0.326434 0.068536 0.131538 0.087112 -0.147994 -0.061640 29O 2dxz 0.268712 -0.020613 -0.101559 -0.109424 0.109106 -0.076823 29O 2dyz -0.560868 0.085881 0.198271 0.193018 -0.294864 -0.028813 29O 2dx2y2 0.088164 -0.035031 -0.041328 0.009106 0.038458 0.108240 29O 2dxy -0.222893 0.024263 0.100499 0.107283 -0.115211 0.089227 29O 1f0 -0.038023 0.006392 0.006851 0.006334 -0.015075 0.004457 29O 1f+1 -0.030191 0.004689 0.017772 0.011225 -0.010154 -0.003812 29O 1f-1 -0.065586 0.016026 0.030997 0.019675 -0.033204 -0.009024 29O 1f+2 0.018800 0.001544 -0.003160 -0.005247 -0.000167 -0.022277 29O 1f-2 0.099640 -0.015829 -0.049043 -0.040807 0.049085 -0.011254 29O 1f+3 -0.026492 0.007946 0.010226 -0.000003 -0.013809 -0.035377 29O 1f-3 -0.053357 -0.001830 0.000842 0.019888 -0.023744 0.000143 30O 1s -0.001306 -0.002107 0.007751 -0.000592 0.002167 -0.003236 30O 2s -0.001233 -0.004966 0.026186 -0.004519 0.009937 -0.009611 30O 3s -0.055651 -0.014087 -0.209316 0.087228 -0.154040 0.048359 30O 4s 0.339585 0.231661 0.480389 -0.346216 0.596293 -0.001774 30O 5s -0.102882 0.344160 -0.447744 -0.086107 -0.080599 0.894202 30O 1pz -0.013341 -0.005149 0.028339 0.007260 0.000005 -0.025141 30O 1px 0.022450 -0.020960 -0.016397 0.016109 -0.002802 0.001318 30O 1py 0.032427 -0.016779 -0.044847 0.005228 -0.051124 0.013069 30O 2pz -0.016297 -0.133608 -0.129548 0.087106 -0.171543 0.009364 30O 2px 0.089301 0.086246 -0.034645 -0.080548 0.125666 0.082808 30O 2py -0.065804 0.290496 0.243957 -0.192853 0.396465 0.043350 30O 3pz -0.159337 0.004595 0.020684 -0.015227 0.034235 0.304511 30O 3px 0.061290 0.123482 -0.116612 0.001994 0.090598 0.061735 30O 3py 0.271289 0.024397 -0.159657 0.039718 0.162801 -0.547411 30O 1dz2 0.009035 -0.006055 -0.009581 0.001176 -0.002694 0.000143 30O 1dxz 0.001999 0.004302 -0.013283 0.004174 0.012113 -0.007687 30O 1dyz 0.009582 0.016620 0.005542 -0.013774 0.000853 0.016959 30O 1dx2y2 -0.001044 0.029987 0.017985 -0.025428 0.022177 0.015016 30O 1dxy 0.005327 -0.014879 -0.006937 0.007897 -0.006257 0.006962 30O 2dz2 0.005168 0.006655 0.049805 -0.021387 -0.022179 0.010227 30O 2dxz -0.053904 0.004377 0.003258 0.012873 0.007671 0.042160 30O 2dyz 0.030732 -0.125563 -0.102279 0.101064 -0.138067 -0.067250 30O 2dx2y2 0.073011 -0.130417 -0.157474 0.095441 -0.107478 -0.110947 30O 2dxy 0.036461 0.107822 0.028778 -0.085282 0.167031 -0.013653 30O 1f0 0.001026 0.015604 0.005453 -0.011042 0.022897 -0.014868 30O 1f+1 -0.001203 0.006307 0.005350 -0.010412 0.012252 -0.010449 30O 1f-1 0.009730 -0.010968 -0.017974 0.013578 -0.011628 -0.005582 30O 1f+2 0.013672 -0.007985 -0.009181 -0.000776 -0.009958 -0.028918 30O 1f-2 -0.017718 0.025016 0.025250 -0.013368 0.018676 -0.030133 30O 1f+3 0.006230 -0.017749 -0.011069 0.015969 -0.013136 0.003868 30O 1f-3 0.005682 0.008581 0.000088 -0.008423 0.010122 0.000943 31O 1s 0.001458 0.001836 0.007910 -0.000136 0.002533 0.002982 31O 2s 0.001688 0.004006 0.026903 0.002077 0.011033 0.008612 31O 3s 0.051977 0.022794 -0.218473 -0.068204 -0.159534 -0.035801 31O 4s -0.330533 -0.254249 0.510248 0.304099 0.596687 -0.042681 31O 5s 0.086164 -0.337701 -0.447487 0.128836 -0.152756 -0.880121 31O 1pz -0.013249 -0.004095 -0.028953 0.009239 -0.002767 -0.025197 31O 1px 0.020598 -0.022102 0.018586 0.015037 0.003335 0.001192 31O 1py 0.034131 -0.017879 0.045701 0.001389 0.052016 0.009580 31O 2pz -0.015054 -0.140656 0.137773 0.077444 0.172055 -0.001964 31O 2px 0.088772 0.088291 0.025399 -0.086386 -0.118826 0.090600 31O 2py -0.068843 0.299931 -0.256421 -0.171127 -0.389106 0.069910 31O 3pz -0.161169 0.003459 -0.026631 -0.015530 -0.012865 0.305879 31O 3px 0.061923 0.122821 0.123311 -0.009642 -0.084576 0.068029 31O 3py 0.266388 0.021563 0.171208 0.026830 -0.202399 -0.529140 31O 1dz2 -0.008678 0.006427 -0.009611 -0.000294 -0.002603 -0.000008 31O 1dxz -0.001554 -0.003953 -0.013722 -0.002822 0.012546 0.006691 31O 1dyz -0.011223 -0.016996 0.006310 0.013235 -0.000690 -0.016642 31O 1dx2y2 -0.000203 -0.030748 0.019178 0.023542 0.020597 -0.016390 31O 1dxy -0.004947 0.015123 -0.007168 -0.007247 -0.006419 -0.006697 31O 2dz2 -0.006053 -0.008617 0.051293 0.016388 -0.022658 -0.008349 31O 2dxz 0.052751 -0.003195 0.001036 -0.013904 0.004546 -0.043337 31O 2dyz -0.030119 0.129943 -0.107941 -0.091195 -0.131151 0.075747 31O 2dx2y2 -0.068789 0.135489 -0.162342 -0.079576 -0.097347 0.117224 31O 2dxy -0.036242 -0.109749 0.033511 0.082534 0.166003 0.002043 31O 1f0 0.001137 0.015646 -0.005457 -0.010361 -0.023430 -0.013081 31O 1f+1 -0.001522 0.006538 -0.006221 -0.009925 -0.012994 -0.009503 31O 1f-1 0.008981 -0.011369 0.018698 0.011670 0.010913 -0.006117 31O 1f+2 0.012861 -0.007868 0.008504 -0.001913 0.007424 -0.029397 31O 1f-2 -0.017023 0.026063 -0.025852 -0.010996 -0.020686 -0.028614 31O 1f+3 0.005728 -0.017898 0.011664 0.014609 0.012861 0.003158 31O 1f-3 0.006815 0.008527 -0.000386 -0.008331 -0.009865 0.001589 32O 1s 0.001940 0.000453 -0.002488 0.002107 -0.000390 -0.016226 32O 2s 0.007435 0.000720 -0.008226 0.007921 -0.001452 -0.055238 32O 3s -0.076247 0.012837 0.057288 -0.077808 0.014181 0.432558 32O 4s 0.194458 -0.064775 -0.131418 0.246691 -0.024857 -0.704444 32O 5s -0.207132 -0.012836 0.392019 -0.517454 -0.019032 0.674782 32O 1pz -0.301333 0.068257 -0.115818 0.120496 0.160476 -0.091959 32O 1px -0.097733 -0.005779 -0.036439 0.082738 0.062247 0.216482 32O 1py 0.019884 0.017574 -0.021599 0.001416 -0.009323 0.004038 32O 2pz 1.297198 -0.275576 0.491178 -0.536111 -0.688803 0.243304 32O 2px 0.443446 -0.016712 0.129279 -0.252350 -0.259574 -0.496915 32O 2py -0.067321 -0.052313 0.051925 0.013181 0.040431 0.016906 32O 3pz -0.006984 0.022255 -0.082893 0.057540 -0.028127 -0.109653 32O 3px -0.075648 0.008654 0.055084 -0.133730 0.008934 0.270820 32O 3py -0.033944 0.018770 0.074575 -0.106517 -0.010139 -0.002530 32O 1dz2 -0.012997 0.001828 -0.001652 0.009448 0.014294 0.001844 32O 1dxz 0.016349 -0.005127 0.003181 -0.006417 -0.020270 0.009109 32O 1dyz -0.007206 0.002733 -0.004320 0.004070 -0.003620 0.004598 32O 1dx2y2 0.002052 0.003933 -0.000076 -0.013143 -0.006707 -0.015874 32O 1dxy -0.008163 -0.003260 0.014295 -0.004450 0.000046 -0.012002 32O 2dz2 0.284446 -0.071993 0.118698 -0.091794 -0.132035 0.071599 32O 2dxz -0.262641 0.029363 -0.098943 0.125724 0.123236 0.067787 32O 2dyz 0.535722 -0.100552 0.190892 -0.218544 -0.300548 0.052964 32O 2dx2y2 -0.097366 0.039580 -0.047103 0.001332 0.038599 -0.111298 32O 2dxy 0.198033 -0.028440 0.089938 -0.113851 -0.118459 -0.079822 32O 1f0 -0.032730 0.006110 -0.005289 0.006092 0.014086 0.003666 32O 1f+1 -0.030586 0.006057 -0.018289 0.014474 0.011326 -0.004576 32O 1f-1 -0.062348 0.017991 -0.030015 0.022770 0.033153 -0.012221 32O 1f+2 0.017485 0.000702 0.003486 -0.005387 -0.001721 -0.021486 32O 1f-2 0.094126 -0.018644 0.046292 -0.045804 -0.050686 -0.006614 32O 1f+3 -0.021090 0.008049 -0.008780 -0.000572 0.009465 -0.036793 32O 1f-3 -0.051098 -0.000977 0.000248 0.020500 0.024685 -0.002044 33O 1s 0.007241 -0.001858 -0.009639 -0.002826 0.000807 0.000919 33O 2s 0.022994 -0.003870 -0.031393 -0.005761 0.007451 0.003286 33O 3s -0.109181 -0.029568 0.223726 -0.063494 -0.168265 -0.035438 33O 4s -0.091586 0.301957 -0.474949 0.574428 0.718603 0.097360 33O 5s -0.501839 0.297757 0.815307 0.461417 0.510904 -0.696308 33O 1pz -0.024406 -0.006733 0.060237 -0.013180 -0.067541 0.004917 33O 1px 0.053827 0.003981 -0.018781 0.008720 -0.006110 -0.003257 33O 1py 0.000701 0.015670 0.001797 -0.001627 -0.049222 -0.006652 33O 2pz -0.130693 0.253409 -0.169205 0.438045 0.506091 -0.025060 33O 2px 0.136696 -0.103234 -0.083361 -0.263738 -0.205247 0.011058 33O 2py -0.023738 0.044908 -0.043841 0.149294 0.238769 0.013035 33O 3pz -0.394130 0.027714 -0.068665 0.246445 -0.075300 0.655610 33O 3px 0.285553 -0.114135 -0.157984 -0.186901 -0.291735 -0.127686 33O 3py -0.172443 0.004501 -0.027693 0.040809 -0.020082 0.358623 33O 1dz2 -0.013844 -0.023567 0.009782 -0.019472 -0.015493 0.009313 33O 1dxz -0.010804 0.011612 0.013670 0.017645 0.008032 0.009281 33O 1dyz -0.008455 -0.011196 0.001400 -0.008023 -0.011934 0.012905 33O 1dx2y2 0.019447 0.009039 -0.007303 0.005612 0.019422 -0.008741 33O 1dxy 0.001988 0.010455 -0.006991 0.016652 0.004591 0.002006 33O 2dz2 0.045210 0.111378 -0.096769 0.123150 0.159060 -0.086346 33O 2dxz 0.061268 -0.095383 0.010359 -0.173041 -0.176650 -0.044739 33O 2dyz 0.042569 0.051795 -0.016189 0.059459 0.118056 -0.074369 33O 2dx2y2 -0.099081 -0.040334 0.107869 0.003948 0.005317 0.092685 33O 2dxy -0.008463 -0.048206 -0.000897 -0.075873 -0.138829 0.019615 33O 1f0 0.020366 0.002066 -0.004934 0.001059 -0.002282 0.002284 33O 1f+1 0.017440 0.015344 -0.008065 0.009564 0.003678 -0.002639 33O 1f-1 -0.021609 0.005728 0.013412 0.021840 0.005965 0.037859 33O 1f+2 -0.009321 -0.001349 0.009129 -0.011825 0.002310 -0.021987 33O 1f-2 0.006221 0.009378 -0.012522 0.022428 0.014682 0.017511 33O 1f+3 0.011612 0.002616 -0.006433 0.012991 -0.001199 -0.002055 33O 1f-3 -0.001008 -0.004158 0.019667 -0.011304 -0.008202 -0.011649 34O 1s 0.008136 -0.007838 0.013096 0.001728 0.005416 -0.004036 34O 2s 0.025105 -0.025559 0.039022 0.005092 0.015754 -0.013126 34O 3s -0.104577 0.167058 -0.171783 -0.025809 -0.070077 0.095705 34O 4s -0.212438 -0.188489 -0.171752 0.024622 -0.065018 -0.181173 34O 5s -0.763443 0.427909 -0.960189 -0.019314 -0.324465 0.874106 34O 1pz 0.012393 0.025872 0.013042 -0.028983 0.000204 0.018288 34O 1px -0.036582 0.049432 -0.043088 -0.024883 -0.035568 0.033269 34O 1py 0.003618 -0.022363 -0.007362 0.017282 -0.043869 -0.032108 34O 2pz -0.050562 -0.012772 -0.036655 0.047458 -0.005594 -0.056429 34O 2px -0.336213 0.042422 -0.385058 0.020103 -0.078555 -0.017315 34O 2py 0.142832 -0.107787 0.192438 0.036947 0.212699 0.069483 34O 3pz -0.032961 0.022311 0.011321 0.000456 0.155486 -0.258349 34O 3px -0.466791 0.136035 -0.328497 0.086440 -0.070631 -0.326010 34O 3py 0.210695 -0.003559 -0.094783 -0.022338 0.021892 0.410475 34O 1dz2 -0.006739 0.008654 -0.007087 -0.003875 -0.016215 0.002388 34O 1dxz -0.000627 -0.018193 0.016028 0.015389 0.016302 -0.009704 34O 1dyz 0.009035 -0.012227 -0.002077 0.004749 -0.001040 0.009637 34O 1dx2y2 0.013390 -0.004037 0.006833 -0.003280 -0.011963 0.012037 34O 1dxy -0.007132 0.038847 -0.041861 -0.022576 -0.020264 0.013594 34O 2dz2 0.068644 -0.026278 0.117352 0.008090 0.010140 0.009943 34O 2dxz -0.015720 0.078953 -0.089521 -0.030096 -0.019517 0.071145 34O 2dyz -0.009436 -0.023420 -0.006955 0.013440 0.000064 -0.048726 34O 2dx2y2 -0.107001 -0.017804 -0.111081 0.028250 -0.006404 -0.085653 34O 2dxy 0.075212 -0.174712 0.185236 0.121593 0.213274 -0.098732 34O 1f0 0.011457 0.014560 -0.020030 -0.007658 -0.017614 0.044381 34O 1f+1 0.012897 -0.016054 0.015235 0.014548 0.023819 -0.011825 34O 1f-1 -0.003343 0.003943 -0.015250 0.006220 0.000556 0.012445 34O 1f+2 0.019595 -0.036939 0.025386 0.020731 0.004825 0.016648 34O 1f-2 0.009105 -0.013219 0.014085 0.004998 -0.005096 0.005360 34O 1f+3 0.007663 -0.018983 0.030351 0.006136 0.018379 -0.028301 34O 1f-3 0.002063 -0.049994 0.027525 0.031684 0.032145 -0.011277 35O 1s 0.004122 0.007348 -0.012509 0.006306 0.003973 -0.006578 35O 2s 0.008384 0.024797 -0.036899 0.022409 0.011788 -0.020639 35O 3s 0.067683 -0.185992 0.152589 -0.191376 -0.035657 0.116033 35O 4s -0.610832 0.324134 0.147958 0.421236 -0.218129 -0.048563 35O 5s -0.382635 -0.560964 1.246571 -0.367503 0.287001 1.147576 35O 1pz -0.031242 -0.014494 -0.022331 -0.010200 0.012053 0.025251 35O 1px -0.026239 -0.025345 0.025838 -0.015327 -0.036320 0.032113 35O 1py -0.057770 -0.026864 0.013847 -0.017417 -0.000899 0.036191 35O 2pz 0.008956 -0.054678 0.133552 -0.099033 -0.128518 -0.052757 35O 2px -0.330058 -0.006756 0.432544 0.012603 -0.110764 0.140535 35O 2py -0.016834 -0.007744 0.180862 -0.025493 -0.130586 -0.005815 35O 3pz -0.139476 0.059854 -0.137508 0.118027 -0.092490 -0.334780 35O 3px -0.251531 -0.085380 0.311027 0.109678 0.028988 -0.033741 35O 3py -0.249977 0.059929 -0.055353 0.057137 -0.198446 -0.190416 35O 1dz2 0.001228 -0.004357 0.002456 -0.011312 -0.012089 -0.004958 35O 1dxz 0.021173 0.029305 -0.019876 0.028997 0.025358 -0.009969 35O 1dyz 0.014820 0.003123 -0.002330 -0.002715 0.009330 -0.013591 35O 1dx2y2 0.003730 -0.005743 -0.003681 -0.007320 -0.005782 0.003472 35O 1dxy 0.017801 0.014811 -0.021013 0.010245 0.006651 -0.005710 35O 2dz2 0.088818 -0.014571 -0.108778 -0.033596 0.014063 0.017187 35O 2dxz -0.085456 -0.119657 0.141930 -0.133551 -0.125980 0.069708 35O 2dyz -0.000775 -0.084126 0.071587 -0.089303 -0.043314 0.059802 35O 2dx2y2 -0.096769 0.041627 0.121513 0.055135 0.034182 -0.026651 35O 2dxy -0.083765 -0.035960 0.132881 -0.051627 -0.126058 0.037813 35O 1f0 -0.017083 -0.027915 0.020829 -0.040971 -0.033299 0.009154 35O 1f+1 0.000410 -0.000304 0.000308 0.007781 0.016469 -0.004519 35O 1f-1 -0.002830 0.000195 -0.007333 -0.013465 -0.000532 -0.043934 35O 1f+2 0.016853 0.030114 -0.019938 0.030514 0.022834 -0.002810 35O 1f-2 -0.018991 0.023020 -0.004396 0.022590 0.016874 -0.004119 35O 1f+3 0.003061 0.031330 -0.020265 0.031317 0.033797 -0.024345 35O 1f-3 0.013680 0.011896 -0.026979 0.004577 0.006962 -0.015351 582 583 584 585 586 587 4.08088 4.11473 4.13925 4.14007 4.15952 4.17839 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s 0.001111 0.001797 -0.008438 -0.000685 -0.014722 0.027952 0Rh 2s -0.011121 -0.016736 0.077028 0.006451 0.134833 -0.254147 0Rh 3s -0.000041 0.000688 -0.004172 -0.000223 -0.007054 0.014538 0Rh 4s 0.062205 0.093725 -0.432039 -0.036294 -0.757200 1.428237 0Rh 5s -0.148006 -0.218268 1.007831 0.085769 1.773224 -3.338771 0Rh 6s 0.159833 0.213173 -0.992692 -0.088000 -1.770702 3.291198 0Rh 7s -0.316033 -0.301954 1.274604 0.118407 2.117383 -4.414755 0Rh 8s 0.069227 -0.131700 0.312324 0.011629 0.076199 -1.063400 0Rh 1pz -0.000101 0.001885 -0.004195 -0.002523 -0.001485 0.005137 0Rh 1px -0.001088 -0.002600 -0.000647 -0.000165 -0.004785 -0.019654 0Rh 1py 0.002701 0.000702 -0.000675 0.002228 -0.000387 -0.005361 0Rh 2pz 0.000426 -0.007496 0.015929 0.009916 0.006096 -0.020344 0Rh 2px 0.004276 0.010210 0.002526 0.000688 0.018610 0.077277 0Rh 2py -0.011157 -0.002400 0.002615 -0.008299 0.001447 0.021056 0Rh 3pz -0.001795 0.019720 -0.024498 -0.023494 -0.019662 0.051483 0Rh 3px -0.010024 -0.023817 -0.004911 -0.002308 -0.039606 -0.182287 0Rh 3py 0.037940 -0.002782 -0.005206 0.008751 -0.001822 -0.049138 0Rh 4pz 0.005340 -0.020222 -0.044969 0.014333 0.030140 -0.044862 0Rh 4px 0.004732 0.011492 -0.005276 0.002958 0.003740 0.101163 0Rh 4py -0.066786 0.039650 -0.001837 0.044310 -0.005533 0.024741 0Rh 5pz -0.016940 0.022119 0.173518 0.003030 -0.037667 0.034926 0Rh 5px 0.009676 0.012338 0.034218 0.001843 0.076411 0.043104 0Rh 5py 0.098042 -0.105832 0.020106 -0.141274 0.021656 0.018464 0Rh 6pz 0.124584 -0.330168 -0.581057 0.059739 0.037776 -0.810131 0Rh 6px -0.068252 0.180088 -0.423163 -0.104709 -0.022023 2.060554 0Rh 6py -0.186289 0.531407 -0.262242 0.468530 -0.125875 0.512360 0Rh 1dz2 -0.051589 -0.048812 0.045613 0.057091 -0.010586 0.005820 0Rh 1dxz 0.012904 0.004332 -0.063464 -0.007168 -0.022949 -0.036372 0Rh 1dyz -0.110357 -0.138348 0.007903 0.097786 0.025118 0.015086 0Rh 1dx2y2 -0.013403 -0.031208 -0.015802 -0.012018 0.041207 0.021463 0Rh 1dxy -0.072130 -0.008823 -0.007894 0.091776 0.021479 0.000072 0Rh 2dz2 -0.006180 -0.010263 0.005666 0.010692 -0.003716 0.001859 0Rh 2dxz 0.001520 0.001111 -0.007113 -0.000686 -0.005066 -0.003700 0Rh 2dyz -0.013339 -0.027520 0.002803 0.020912 0.004137 0.003592 0Rh 2dx2y2 -0.001082 -0.005382 -0.001530 -0.000113 0.010292 0.002590 0Rh 2dxy -0.011961 -0.005632 0.000118 0.014065 0.004591 0.000744 0Rh 3dz2 0.226949 0.236816 -0.202998 -0.272034 0.058379 -0.031041 0Rh 3dxz -0.056912 -0.022206 0.279272 0.031279 0.113745 0.159002 0Rh 3dyz 0.486312 0.664023 -0.044042 -0.478817 -0.117823 -0.075498 0Rh 3dx2y2 0.056917 0.146209 0.067560 0.046662 -0.209852 -0.094831 0Rh 3dxy 0.333118 0.061140 0.029478 -0.422556 -0.105918 -0.003122 0Rh 4dz2 -0.331635 -0.387705 0.295038 0.440197 -0.106381 0.053087 0Rh 4dxz 0.083072 0.039155 -0.402717 -0.045354 -0.194323 -0.229985 0Rh 4dyz -0.713441 -1.070816 0.082426 0.801416 0.189402 0.127008 0Rh 4dx2y2 -0.080315 -0.228157 -0.088613 -0.054561 0.366180 0.137230 0Rh 4dxy -0.511898 -0.137129 -0.029524 0.650097 0.180541 0.008295 0Rh 5dz2 0.385644 0.503043 -0.204589 -0.546126 0.201891 -0.054299 0Rh 5dxz -0.085405 -0.068206 0.281133 0.034764 0.328243 0.201486 0Rh 5dyz 0.866979 1.278782 -0.141361 -1.083866 -0.234678 -0.174735 0Rh 5dx2y2 0.096760 0.221132 0.007370 -0.001680 -0.618368 -0.154333 0Rh 5dxy 0.624992 0.331094 -0.045559 -0.619179 -0.289705 -0.040454 0Rh 1f0 0.000891 0.017994 -0.011556 0.001839 -0.001249 0.014482 0Rh 1f+1 -0.004650 -0.011593 -0.008669 0.004788 -0.004530 -0.014649 0Rh 1f-1 0.009416 0.015598 -0.023596 0.009457 -0.000941 -0.005643 0Rh 1f+2 0.001759 0.016363 0.027880 0.002947 0.000319 -0.013111 0Rh 1f-2 -0.000082 -0.012226 0.008397 0.025541 -0.001324 -0.002379 0Rh 1f+3 -0.006963 -0.011353 -0.001799 -0.008743 -0.002916 -0.024570 0Rh 1f-3 0.023987 0.024472 -0.001391 0.008094 0.001010 -0.020289 1Rh 1s 0.000987 -0.001871 0.008199 0.000579 -0.015418 -0.027695 1Rh 2s -0.009979 0.017384 -0.074977 -0.005477 0.141161 0.251767 1Rh 3s -0.000093 -0.000742 0.003980 0.000173 -0.007416 -0.014431 1Rh 4s 0.055826 -0.097354 0.420523 0.030828 -0.792731 -1.414867 1Rh 5s -0.133243 0.226606 -0.981381 -0.072979 1.856169 3.307335 1Rh 6s 0.145555 -0.220875 0.968352 0.075214 -1.852292 -3.259384 1Rh 7s -0.298272 0.305653 -1.257047 -0.101169 2.224495 4.374574 1Rh 8s 0.072190 0.136420 -0.305859 -0.012906 0.103901 1.061560 1Rh 1pz 0.000090 0.001870 -0.004266 -0.002504 0.001618 0.005094 1Rh 1px 0.001078 -0.002547 -0.000501 -0.000162 0.004471 -0.019701 1Rh 1py -0.002646 0.000781 -0.000633 0.002242 0.000267 -0.005315 1Rh 2pz -0.000386 -0.007437 0.016198 0.009840 -0.006612 -0.020172 1Rh 2px -0.004220 0.010008 0.001971 0.000678 -0.017383 0.077460 1Rh 2py 0.010949 -0.002711 0.002452 -0.008362 -0.000980 0.020874 1Rh 3pz 0.001698 0.019598 -0.025007 -0.023327 0.020683 0.051060 1Rh 3px 0.009578 -0.023474 -0.004007 -0.002330 0.036794 -0.182702 1Rh 3py -0.037652 -0.002069 -0.004901 0.009093 0.000810 -0.048656 1Rh 4pz -0.005180 -0.020225 -0.045202 0.014357 -0.029858 -0.044681 1Rh 4px -0.003292 0.011866 -0.004159 0.003139 -0.002363 0.101271 1Rh 4py 0.067405 0.039402 -0.001683 0.043321 0.005702 0.024320 1Rh 5pz 0.016376 0.022370 0.175179 0.002341 0.035101 0.035413 1Rh 5px -0.011811 0.010586 0.029783 0.001465 -0.075848 0.043954 1Rh 5py -0.099923 -0.106840 0.019168 -0.139227 -0.020363 0.018633 1Rh 6pz -0.123712 -0.332231 -0.589396 0.063923 -0.041294 -0.798534 1Rh 6px 0.060698 0.183906 -0.420008 -0.105892 0.068874 2.064223 1Rh 6py 0.193530 0.535326 -0.261305 0.462735 0.132776 0.505098 1Rh 1dz2 -0.052559 0.048769 -0.046113 -0.056007 -0.009982 -0.006104 1Rh 1dxz 0.012084 -0.004609 0.064127 0.006654 -0.023204 0.036948 1Rh 1dyz -0.112154 0.138936 -0.009490 -0.095762 0.024603 -0.017132 1Rh 1dx2y2 -0.012282 0.031262 0.015230 0.012098 0.040205 -0.022556 1Rh 1dxy -0.073472 0.008522 0.007149 -0.090174 0.021837 -0.001071 1Rh 2dz2 -0.006394 0.010262 -0.005772 -0.010550 -0.003667 -0.001891 1Rh 2dxz 0.001380 -0.001157 0.007181 0.000613 -0.005086 0.003812 1Rh 2dyz -0.013712 0.027602 -0.003050 -0.020648 0.004047 -0.003969 1Rh 2dx2y2 -0.000927 0.005406 0.001479 0.000136 0.010167 -0.002850 1Rh 2dxy -0.012162 0.005611 -0.000228 -0.013795 0.004610 -0.000931 1Rh 3dz2 0.231680 -0.236640 0.205447 0.267160 0.055798 0.032307 1Rh 3dxz -0.053100 0.023500 -0.282155 -0.028933 0.114838 -0.161793 1Rh 3dyz 0.494969 -0.666692 0.051365 0.469719 -0.115408 0.085296 1Rh 3dx2y2 0.051868 -0.146542 -0.065124 -0.047099 -0.205405 0.100349 1Rh 3dxy 0.339202 -0.059877 -0.026076 0.415058 -0.107426 0.007927 1Rh 4dz2 -0.339451 0.387466 -0.299230 -0.432805 -0.102794 -0.055076 1Rh 4dxz 0.077082 -0.041213 0.406733 0.041728 -0.195836 0.234649 1Rh 4dyz -0.727421 1.074881 -0.093910 -0.787563 0.185654 -0.143108 1Rh 4dx2y2 -0.072560 0.228889 0.085424 0.055446 0.359775 -0.146759 1Rh 4dxy -0.520824 0.135416 0.024373 -0.638241 0.182657 -0.016256 1Rh 5dz2 0.397086 -0.502664 0.212387 0.537362 0.199986 0.056324 1Rh 5dxz -0.076825 0.071075 -0.282648 -0.030298 0.327888 -0.208299 1Rh 5dyz 0.884174 -1.283158 0.156462 1.066042 -0.230800 0.196414 1Rh 5dx2y2 0.085448 -0.223327 -0.007866 -0.001114 -0.613036 0.169314 1Rh 5dxy 0.630832 -0.330251 0.050581 0.603929 -0.290331 0.051651 1Rh 1f0 -0.001186 0.018056 -0.011530 0.001671 0.001553 0.014412 1Rh 1f+1 0.005076 -0.011654 -0.008509 0.004625 0.004297 -0.014784 1Rh 1f-1 -0.009433 0.015607 -0.023621 0.009543 0.001083 -0.005533 1Rh 1f+2 -0.001558 0.016394 0.027895 0.002940 -0.001377 -0.013075 1Rh 1f-2 0.000717 -0.012146 0.008415 0.025598 0.000968 -0.002562 1Rh 1f+3 0.007145 -0.011304 -0.001816 -0.008870 0.002548 -0.024562 1Rh 1f-3 -0.023665 0.024299 -0.001407 0.008572 -0.001733 -0.020111 2C 1s 0.003444 0.002513 -0.015172 0.006688 -0.008921 -0.002107 2C 2s 0.010669 0.006643 -0.041450 0.019500 -0.027109 -0.006597 2C 3s -0.226361 -0.048796 0.271731 -0.163406 0.371933 0.078390 2C 4s 1.099631 -0.015565 0.190945 0.097679 -0.908042 -0.074257 2C 5s 0.154153 0.675204 -1.044149 0.333149 -0.494833 -0.657712 2C 1pz -0.065670 -0.048939 0.201222 -0.109680 0.166779 0.051418 2C 1px -0.008071 -0.022761 0.046541 -0.017866 0.043299 0.012477 2C 1py -0.050659 -0.023587 0.151167 -0.059946 0.113706 0.039478 2C 2pz 0.819700 0.140570 -0.574683 0.448605 -1.074057 -0.223383 2C 2px -0.162584 0.432503 -0.355855 -0.054777 -0.291690 0.220550 2C 2py 0.370136 -0.013081 -0.279486 -0.057230 -0.594921 0.008374 2C 3pz 0.056707 0.151567 -0.150492 0.077535 -0.126068 -0.139572 2C 3px 0.200411 -0.030770 -0.085775 0.115728 0.003472 0.010872 2C 3py 0.059377 0.058649 -0.198334 0.059538 -0.134677 -0.087130 2C 1dz2 0.012001 -0.016440 0.020792 -0.036601 -0.000992 0.038318 2C 1dxz -0.053597 -0.067644 0.169004 -0.088030 0.056395 -0.026062 2C 1dyz -0.032682 0.033297 0.048264 -0.053996 0.004842 0.032821 2C 1dx2y2 -0.062185 0.027640 -0.006536 -0.040364 0.022218 0.029331 2C 1dxy -0.016384 0.004037 0.047304 -0.009550 0.012830 -0.039138 2C 2dz2 0.111025 0.080089 -0.136703 0.172973 -0.285605 -0.048796 2C 2dxz 0.182777 0.029563 -0.109665 0.087060 -0.144834 -0.062266 2C 2dyz 0.184125 0.108062 -0.509310 0.154801 -0.539957 -0.019543 2C 2dx2y2 -0.177088 0.088932 0.081932 -0.053919 0.119765 0.158507 2C 2dxy 0.164351 0.100723 -0.279478 0.157859 -0.219532 -0.072859 2C 1f0 -0.066443 -0.001867 0.114508 -0.007639 0.047534 0.063362 2C 1f+1 -0.181474 0.031868 0.157077 -0.101977 0.070492 0.068009 2C 1f-1 0.180274 0.029739 -0.292711 0.188116 -0.237700 -0.117406 2C 1f+2 0.033073 0.014944 -0.000673 0.015449 0.012340 -0.025787 2C 1f-2 -0.119901 -0.016826 0.202465 -0.103595 0.082549 0.045161 2C 1f+3 -0.057187 0.056982 -0.125692 0.013808 -0.096755 0.000644 2C 1f-3 -0.104567 0.000451 0.011048 -0.039977 0.011758 0.042685 3C 1s -0.003745 -0.010919 -0.006735 -0.011159 -0.012885 0.000248 3C 2s -0.011437 -0.030160 -0.019234 -0.031428 -0.038651 -0.000063 3C 3s 0.211300 0.247003 0.150722 0.207745 0.447674 0.044296 3C 4s -0.968367 -0.165234 -0.001287 0.191946 -0.779330 -0.211846 3C 5s -0.270304 -0.786344 -0.660677 -0.643539 -0.297335 -0.296705 3C 1pz 0.051817 0.100673 0.051476 0.103665 0.129510 0.008607 3C 1px 0.027786 0.078117 0.039989 0.056364 0.097076 0.007296 3C 1py -0.065042 -0.160592 -0.114753 -0.148421 -0.229246 -0.017371 3C 2pz -0.417017 -0.072033 0.161616 -0.119812 -0.462549 -0.120977 3C 2px 0.301480 -0.400584 -0.073140 0.057709 -0.430109 0.362055 3C 2py 0.788104 0.644129 0.486956 0.453329 1.368481 0.159122 3C 3pz 0.036189 -0.147994 -0.047435 -0.091815 -0.124507 -0.043641 3C 3px -0.273878 -0.033671 -0.117249 -0.140706 -0.027847 0.011592 3C 3py 0.096385 0.126401 0.136352 0.095513 0.014672 0.091129 3C 1dz2 -0.019141 -0.031473 -0.033705 -0.031808 -0.031680 0.010202 3C 1dxz -0.089471 0.031966 0.001129 -0.010963 -0.022247 -0.079693 3C 1dyz 0.004348 0.029615 0.046865 -0.004004 0.042701 -0.047035 3C 1dx2y2 -0.017326 -0.077909 -0.062988 -0.061789 -0.035960 -0.040987 3C 1dxy -0.099891 -0.094869 -0.099408 -0.112352 -0.078191 0.025163 3C 2dz2 0.121040 0.160627 0.217247 0.098338 0.256595 0.031459 3C 2dxz -0.328510 -0.160805 -0.065271 -0.197700 -0.270049 -0.174353 3C 2dyz 0.109710 0.397540 0.209020 0.330831 0.676633 -0.053407 3C 2dx2y2 0.083693 0.048132 0.070359 0.056339 0.235207 0.056051 3C 2dxy 0.163186 0.246743 0.126325 0.154528 0.374607 -0.037805 3C 1f0 0.052890 0.168738 0.112947 0.160339 0.254934 0.005653 3C 1f+1 0.134931 0.062258 0.053981 0.050714 0.078340 0.055059 3C 1f-1 0.201110 0.245164 0.122768 0.266908 0.279978 0.035222 3C 1f+2 0.178917 0.046311 0.055147 0.113276 0.107980 0.066242 3C 1f-2 -0.138789 -0.038705 -0.044690 -0.077158 -0.036466 -0.048374 3C 1f+3 0.040109 -0.022532 -0.024351 -0.007729 -0.077328 -0.018950 3C 1f-3 -0.078416 -0.028191 0.032683 0.002271 0.018131 -0.052410 4C 1s -0.009387 0.001645 -0.007383 0.002442 -0.003501 -0.001683 4C 2s -0.020552 0.003994 -0.021151 0.008906 -0.005879 -0.004521 4C 3s -0.022432 -0.128301 0.711874 -0.439079 0.006309 0.170663 4C 4s 0.705257 0.383495 -2.042297 1.502785 0.805999 -0.523411 4C 5s -0.098917 -0.070929 -0.396381 0.307549 0.090333 0.187188 4C 1pz -0.044445 -0.014271 -0.054000 0.059397 -0.043743 -0.028475 4C 1px -0.011913 0.103115 -0.045931 -0.064384 -0.005797 0.054405 4C 1py -0.028052 0.019735 -0.053712 0.001601 -0.025769 0.000766 4C 2pz 1.222252 0.493122 -1.092542 0.352036 -1.023844 -0.538904 4C 2px 0.104820 -0.782537 -0.423720 1.104513 -0.279614 0.676011 4C 2py 0.734184 0.076809 -0.712820 0.695180 -0.693306 -0.041508 4C 3pz 0.372183 0.348223 -0.553997 0.170173 0.075714 -0.408654 4C 3px 0.053814 -0.178265 -0.174341 0.225542 -0.012494 0.220583 4C 3py 0.263392 0.275099 -0.291439 0.312323 0.078691 -0.149789 4C 1dz2 0.000871 -0.036811 0.172231 -0.119836 0.101983 -0.019150 4C 1dxz -0.142381 -0.091504 0.197268 -0.081979 0.115433 0.172846 4C 1dyz 0.093596 -0.031227 0.143270 -0.038837 0.109088 0.044090 4C 1dx2y2 0.112317 0.026154 -0.195247 0.093638 -0.091053 -0.036936 4C 1dxy 0.047564 -0.033469 -0.016481 0.045963 0.017539 0.088182 4C 2dz2 -0.286198 0.094999 0.055682 -0.047342 0.175449 -0.109624 4C 2dxz -0.131549 0.017015 -0.139228 0.148268 0.000604 0.179288 4C 2dyz -0.240376 0.029092 -0.405964 0.132051 0.119624 -0.134248 4C 2dx2y2 0.277707 0.097050 -0.164403 0.253385 -0.128963 -0.044533 4C 2dxy -0.030811 0.044227 -0.359290 0.281587 -0.091967 0.074374 4C 1f0 -0.228102 -0.084312 0.242726 -0.162115 0.122074 0.068764 4C 1f+1 -0.041180 -0.088654 0.263370 -0.171794 0.146657 0.061934 4C 1f-1 -0.000842 0.033466 0.063048 -0.083136 0.003112 -0.013162 4C 1f+2 0.285864 0.113113 -0.428265 0.147921 -0.197019 -0.146397 4C 1f-2 0.148807 -0.004871 -0.167596 0.131586 -0.099290 -0.013159 4C 1f+3 0.107908 0.065556 -0.098899 0.002055 -0.059369 -0.061296 4C 1f-3 -0.182321 0.007041 0.380413 -0.268538 0.197685 0.059355 5C 1s 0.008493 -0.004997 -0.004219 -0.006657 -0.010326 0.001130 5C 2s 0.017572 -0.014913 -0.011883 -0.018997 -0.021838 0.001932 5C 3s 0.070639 0.540265 0.373501 0.547044 0.263416 0.062341 5C 4s -0.820935 -1.628808 -1.102247 -1.496374 0.302168 -0.311496 5C 5s 0.067789 -0.399017 -0.145229 -0.292707 -0.226431 0.057924 5C 1pz 0.016361 0.006791 -0.012612 -0.067392 -0.030295 -0.021078 5C 1px 0.030673 -0.089790 -0.014996 0.052063 -0.014366 0.085055 5C 1py -0.034332 0.011901 0.045121 0.079225 0.053420 0.011290 5C 2pz -0.735087 -0.862180 -0.318360 -0.035283 -0.762799 -0.322939 5C 2px -0.082128 0.473774 -0.529421 -1.244425 -0.569412 0.526821 5C 2py 1.175433 1.270349 0.494191 0.560700 1.395426 0.291949 5C 3pz -0.336019 -0.267291 -0.306179 -0.077879 0.308581 -0.210006 5C 3px -0.133993 0.098276 -0.271334 -0.343578 0.185056 0.086876 5C 3py 0.519188 0.444412 0.290702 0.373969 -0.456313 0.199411 5C 1dz2 0.056879 -0.010396 -0.013916 0.020781 -0.038342 -0.031218 5C 1dxz 0.085281 0.141947 0.052713 0.096869 0.118289 0.055835 5C 1dyz 0.144622 0.007707 -0.035525 -0.074675 -0.119719 0.058067 5C 1dx2y2 -0.096900 -0.160159 -0.177970 -0.212020 -0.205912 0.042160 5C 1dxy -0.076845 -0.188034 -0.066146 -0.105843 -0.176986 -0.111350 5C 2dz2 0.004452 0.168941 0.257080 0.194671 0.120254 -0.038911 5C 2dxz 0.214970 0.109439 0.044018 -0.102225 0.058850 0.186879 5C 2dyz -0.116762 0.242223 0.099078 0.254994 0.014643 0.115976 5C 2dx2y2 -0.238067 -0.147129 -0.012750 -0.157092 -0.218295 0.045025 5C 2dxy -0.215762 0.049543 0.161022 0.353614 0.079216 -0.217083 5C 1f0 0.171418 0.210021 0.085151 0.066995 0.177801 0.048837 5C 1f+1 0.129022 0.185427 0.132497 0.286077 0.240041 0.018276 5C 1f-1 -0.120994 -0.104337 -0.045787 -0.154206 -0.115292 0.006027 5C 1f+2 -0.163222 -0.085914 -0.035497 -0.058391 -0.031393 -0.021717 5C 1f-2 -0.121199 -0.288013 -0.087939 -0.104380 -0.172259 -0.067614 5C 1f+3 -0.061148 0.105521 0.110689 0.169461 0.127251 0.004877 5C 1f-3 -0.354106 -0.380125 -0.273073 -0.329044 -0.372472 -0.049077 6C 1s 0.008738 0.004784 0.004076 0.006361 -0.010420 -0.000761 6C 2s 0.018203 0.014388 0.011561 0.018370 -0.022109 -0.001106 6C 3s 0.064749 -0.535751 -0.373264 -0.545915 0.275239 -0.075159 6C 4s -0.819282 1.631547 1.121495 1.515249 0.264831 0.325494 6C 5s 0.080573 0.386255 0.142205 0.279328 -0.231028 -0.042090 6C 1pz -0.017933 0.007465 -0.012467 -0.067221 0.030225 -0.021352 6C 1px -0.029205 -0.089466 -0.014757 0.052722 0.016372 0.084509 6C 1py 0.035974 0.010801 0.044752 0.078714 -0.054131 0.011817 6C 2pz 0.737576 -0.856153 -0.304991 -0.041099 0.768315 -0.342480 6C 2px 0.067150 0.472102 -0.518946 -1.233834 0.596018 0.498521 6C 2py -1.169700 1.259103 0.468023 0.565167 -1.409940 0.331964 6C 3pz 0.338528 -0.269911 -0.302702 -0.080600 -0.307011 -0.205772 6C 3px 0.130023 0.096915 -0.270526 -0.344712 -0.177084 0.096002 6C 3py -0.519059 0.448513 0.283051 0.377904 0.454474 0.191168 6C 1dz2 0.057992 0.008968 0.013089 -0.022934 -0.036948 0.032561 6C 1dxz 0.084577 -0.141711 -0.051521 -0.098476 0.120567 -0.058557 6C 1dyz 0.146284 -0.009566 0.034252 0.070963 -0.121228 -0.054206 6C 1dx2y2 -0.094658 0.157148 0.174112 0.211266 -0.211096 -0.036271 6C 1dxy -0.074624 0.186681 0.063794 0.106371 -0.178312 0.115718 6C 2dz2 0.004787 -0.168725 -0.258351 -0.193701 0.128509 0.031462 6C 2dxz 0.217104 -0.108578 -0.043589 0.099904 0.054815 -0.187105 6C 2dyz -0.119778 -0.238767 -0.101881 -0.253619 0.015930 -0.117622 6C 2dx2y2 -0.237834 0.149947 0.009698 0.157780 -0.223822 -0.035210 6C 2dxy -0.219690 -0.051869 -0.161284 -0.350799 0.091449 0.210787 6C 1f0 -0.172319 0.208656 0.082603 0.068314 -0.180232 0.054439 6C 1f+1 -0.125358 0.184252 0.128214 0.285180 -0.245347 0.026359 6C 1f-1 0.118457 -0.102603 -0.042803 -0.154000 0.117063 0.001968 6C 1f+2 0.164463 -0.086884 -0.035465 -0.062325 0.033768 -0.022826 6C 1f-2 0.118967 -0.284535 -0.084507 -0.104405 0.173620 -0.071636 6C 1f+3 0.064256 0.102906 0.109081 0.166189 -0.130153 0.009456 6C 1f-3 0.353321 -0.379107 -0.268547 -0.332761 0.382392 -0.061306 7C 1s -0.009607 -0.001629 0.006885 -0.002259 -0.003472 0.001425 7C 2s -0.021155 -0.003940 0.020009 -0.008521 -0.005851 0.003877 7C 3s -0.012775 0.127639 -0.703376 0.439246 0.013304 -0.161424 7C 4s 0.686846 -0.378375 2.055492 -1.513853 0.777228 0.496100 7C 5s -0.106323 0.074379 0.382271 -0.297828 0.083656 -0.209330 7C 1pz 0.046553 -0.014143 -0.052376 0.059046 0.043525 -0.028702 7C 1px 0.011197 0.103381 -0.045603 -0.064349 0.007230 0.053963 7C 1py 0.029352 0.019817 -0.053121 0.001728 0.026518 0.000375 7C 2pz -1.216562 0.492952 -1.067882 0.362467 1.026762 -0.538381 7C 2px -0.085547 -0.776161 -0.416468 1.106259 0.299914 0.665488 7C 2py -0.730198 0.081654 -0.703667 0.705265 0.707423 -0.048162 7C 3pz -0.370547 0.353159 -0.563541 0.166697 -0.073112 -0.415902 7C 3px -0.047615 -0.178657 -0.177368 0.225799 0.021072 0.224655 7C 3py -0.259268 0.277565 -0.300713 0.310850 -0.075266 -0.152078 7C 1dz2 0.005541 0.036675 -0.165285 0.118414 0.102384 0.019682 7C 1dxz -0.140839 0.091696 -0.194122 0.083629 0.114301 -0.171837 7C 1dyz 0.095743 0.031997 -0.138660 0.037793 0.110423 -0.043101 7C 1dx2y2 0.111578 -0.027135 0.195943 -0.096652 -0.094761 0.038603 7C 1dxy 0.045968 0.033501 0.017366 -0.046496 0.015772 -0.087710 7C 2dz2 -0.288702 -0.092973 -0.059566 0.051596 0.181055 0.103213 7C 2dxz -0.133425 -0.020313 0.138442 -0.149441 -0.005606 -0.177524 7C 2dyz -0.247179 -0.029273 0.400875 -0.129882 0.117109 0.126594 7C 2dx2y2 0.276916 -0.097217 0.163832 -0.255381 -0.132005 0.046347 7C 2dxy -0.031832 -0.047185 0.359736 -0.283232 -0.101797 -0.071797 7C 1f0 0.227810 -0.085556 0.243629 -0.166839 -0.126384 0.070064 7C 1f+1 0.039284 -0.089145 0.259276 -0.172138 -0.148846 0.060976 7C 1f-1 -0.000251 0.032279 0.063968 -0.084779 -0.004919 -0.012028 7C 1f+2 -0.280319 0.112415 -0.419467 0.149912 0.198243 -0.144078 7C 1f-2 -0.147438 -0.004489 -0.165750 0.133348 0.101451 -0.014034 7C 1f+3 -0.111171 0.066285 -0.101908 0.005029 0.061989 -0.062211 7C 1f-3 0.177452 0.005474 0.375750 -0.270491 -0.202783 0.059446 8C 1s -0.003574 0.010763 0.006532 0.011079 -0.013124 0.000097 8C 2s -0.010917 0.029681 0.018597 0.031206 -0.039299 0.001103 8C 3s 0.206306 -0.242251 -0.141119 -0.206380 0.451534 -0.056259 8C 4s -0.966051 0.161158 -0.024622 -0.186441 -0.774615 0.230865 8C 5s -0.268469 0.790410 0.647816 0.638129 -0.308726 0.308721 8C 1pz -0.049706 0.099083 0.048870 0.102982 -0.131219 0.012206 8C 1px -0.026656 0.077137 0.038397 0.056017 -0.098608 0.009799 8C 1py 0.062479 -0.158067 -0.110845 -0.147193 0.232335 -0.023750 8C 2pz 0.413800 -0.073268 0.169832 -0.124478 0.461764 -0.131299 8C 2px -0.301563 -0.400323 -0.066615 0.066284 0.445309 0.350163 8C 2py -0.779638 0.629421 0.458180 0.447108 -1.375291 0.195173 8C 3pz -0.037442 -0.146896 -0.044390 -0.088941 0.124411 -0.046387 8C 3px 0.276984 -0.034068 -0.114782 -0.145328 0.029009 0.010022 8C 3py -0.095465 0.127767 0.133489 0.096470 -0.017439 0.091166 8C 1dz2 -0.020669 0.030821 0.033383 0.032440 -0.033123 -0.008183 8C 1dxz -0.088404 -0.032443 -0.001387 0.011612 -0.020035 0.079965 8C 1dyz 0.003844 -0.028696 -0.044746 0.006208 0.043603 0.046165 8C 1dx2y2 -0.013453 0.074922 0.060526 0.059493 -0.034823 0.041245 8C 1dxy -0.099105 0.094954 0.098537 0.113665 -0.082197 -0.023023 8C 2dz2 0.117298 -0.157649 -0.213272 -0.096510 0.260154 -0.035810 8C 2dxz -0.326814 0.159896 0.061822 0.202552 -0.270944 0.180306 8C 2dyz 0.098983 -0.388194 -0.194966 -0.321700 0.682104 0.036591 8C 2dx2y2 0.084185 -0.046870 -0.067696 -0.056935 0.237152 -0.063191 8C 2dxy 0.164196 -0.244712 -0.120178 -0.155818 0.381242 0.026957 8C 1f0 -0.053697 0.167875 0.110330 0.160948 -0.260809 0.013941 8C 1f+1 -0.135921 0.060873 0.052544 0.051946 -0.077103 0.057277 8C 1f-1 -0.195066 0.240168 0.115896 0.264493 -0.281670 0.042767 8C 1f+2 -0.178580 0.047767 0.054122 0.117644 -0.111048 0.069894 8C 1f-2 0.140503 -0.043519 -0.046880 -0.082336 0.041953 -0.049402 8C 1f+3 -0.043692 -0.021186 -0.023230 -0.006237 0.077226 -0.018719 8C 1f-3 0.079183 -0.028449 0.032755 -0.000061 -0.018835 -0.052151 9C 1s 0.003256 -0.002585 0.014858 -0.006753 -0.009061 0.002021 9C 2s 0.010109 -0.006808 0.040504 -0.019687 -0.027455 0.006422 9C 3s -0.222158 0.049489 -0.262243 0.165862 0.372925 -0.081440 9C 4s 1.102871 0.016013 -0.198372 -0.107901 -0.902957 0.097249 9C 5s 0.147043 -0.684227 1.040402 -0.325663 -0.499757 0.669718 9C 1pz 0.062661 -0.049578 0.195679 -0.110242 -0.167498 0.051660 9C 1px 0.007520 -0.022810 0.045230 -0.017869 -0.043470 0.012300 9C 1py 0.048490 -0.024114 0.147941 -0.060621 -0.115416 0.039557 9C 2pz -0.807994 0.142715 -0.539804 0.450387 1.068167 -0.226520 9C 2px 0.162876 0.436439 -0.346803 -0.056311 0.299424 0.221585 9C 2py -0.377491 -0.006498 -0.285621 -0.043973 0.610673 -0.003039 9C 3pz -0.054007 0.153369 -0.151612 0.077437 0.127524 -0.144120 9C 3px -0.199096 -0.030892 -0.087111 0.118323 -0.002152 0.009030 9C 3py -0.060307 0.060731 -0.195917 0.058890 0.134047 -0.090877 9C 1dz2 0.014294 0.015176 -0.016765 0.034637 -0.003277 -0.037184 9C 1dxz -0.048766 0.068758 -0.164653 0.086634 0.058207 0.028005 9C 1dyz -0.032000 -0.032599 -0.050506 0.056209 0.005797 -0.033746 9C 1dx2y2 -0.060397 -0.027570 0.009119 0.039690 0.020677 -0.028182 9C 1dxy -0.020041 -0.004635 -0.051446 0.013985 0.016626 0.036022 9C 2dz2 0.105331 -0.081975 0.128124 -0.173423 -0.282758 0.050194 9C 2dxz 0.185051 -0.029340 0.112250 -0.093728 -0.146999 0.069177 9C 2dyz 0.179441 -0.109868 0.492663 -0.156343 -0.546115 0.020331 9C 2dx2y2 -0.176680 -0.087125 -0.080683 0.057171 0.120133 -0.158927 9C 2dxy 0.154762 -0.103149 0.268313 -0.154381 -0.218417 0.064022 9C 1f0 0.061586 -0.000928 0.106849 -0.004816 -0.045677 0.059215 9C 1f+1 0.183135 0.031417 0.159666 -0.106776 -0.073967 0.071158 9C 1f-1 -0.174852 0.031315 -0.286854 0.190649 0.239714 -0.117056 9C 1f+2 -0.035315 0.017978 -0.009722 0.018592 -0.008603 -0.026061 9C 1f-2 0.115957 -0.017492 0.196521 -0.103275 -0.082975 0.041889 9C 1f+3 0.055766 0.056787 -0.120424 0.013609 0.097050 -0.000486 9C 1f-3 0.106702 0.002579 0.008528 -0.041836 -0.008318 0.044053 10H 1s 0.139115 0.020239 -0.149555 0.074364 -0.109235 -0.102712 10H 2s 0.239227 -0.260229 0.033735 0.156244 -0.036402 -0.219100 10H 3s -0.128371 0.057760 0.098263 -0.119633 0.013457 0.102076 10H 1pz -0.027852 -0.064131 0.063749 -0.005542 0.015578 -0.031957 10H 1px -0.156438 0.072380 0.055026 -0.078981 0.066591 0.098691 10H 1py -0.060965 -0.037550 0.065381 -0.025712 0.029908 0.009106 11H 1s -0.004573 0.072863 -0.164209 0.044142 -0.098552 -0.031763 11H 2s -0.008684 0.192630 -0.409431 0.173782 -0.208864 0.087878 11H 3s 0.114781 -0.131567 0.190951 -0.020421 0.136537 0.044602 11H 1pz 0.050211 0.085396 -0.219568 0.113989 -0.112515 -0.021275 11H 1px -0.039737 0.074833 -0.109619 0.028931 -0.060468 0.033628 11H 1py 0.011120 -0.018685 0.006183 0.014408 0.005087 -0.015687 12H 1s -0.071000 0.047354 -0.060737 -0.013399 -0.053066 0.022002 12H 2s -0.171191 0.056245 -0.126241 -0.141789 -0.013574 0.262783 12H 3s 0.106226 -0.117945 0.090829 0.058164 0.041519 0.012375 12H 1pz 0.051580 -0.000079 -0.079797 0.049023 -0.029679 -0.040960 12H 1px -0.077625 0.018765 -0.016598 -0.041087 -0.007298 0.061210 12H 1py -0.050049 0.034209 -0.087768 -0.048585 -0.032225 0.070911 13H 1s -0.172219 -0.114858 -0.064206 -0.103636 -0.149109 -0.078043 13H 2s -0.358783 0.119538 0.061419 -0.176548 -0.061689 -0.284670 13H 3s 0.190765 -0.005618 0.073376 0.148645 0.027243 0.083624 13H 1pz -0.058999 0.058194 0.034894 -0.031073 -0.009957 -0.065349 13H 1px 0.195149 0.033200 0.019468 0.089363 0.095688 0.096373 13H 1py -0.030959 -0.064760 -0.036998 -0.011892 -0.023074 0.030812 14H 1s 0.104724 -0.043194 -0.017378 -0.004967 -0.058522 0.057082 14H 2s 0.367868 -0.020501 0.095448 0.082036 0.046265 0.344751 14H 3s -0.185967 0.105489 0.003252 -0.026213 0.036211 -0.047608 14H 1pz 0.035677 -0.035162 0.010990 -0.007776 -0.016006 0.053468 14H 1px 0.183864 -0.011634 0.037088 0.038350 -0.004096 0.133720 14H 1py 0.040117 0.034971 0.026354 0.058489 0.040025 0.016327 15H 1s -0.011173 -0.152183 -0.098175 -0.110460 -0.179089 0.004969 15H 2s -0.065566 -0.338834 -0.320345 -0.307618 -0.415798 0.115263 15H 3s -0.099957 0.189233 0.114865 0.106769 0.240718 -0.005969 15H 1pz -0.027135 0.038852 0.033408 0.013240 0.054480 -0.034322 15H 1px 0.030000 -0.051644 -0.045317 -0.028767 -0.056005 0.032407 15H 1py 0.083723 0.198298 0.177671 0.181072 0.223741 -0.014886 16H 1s 0.169558 0.145234 -0.093577 -0.147308 0.005153 0.028699 16H 2s 0.061684 0.231548 -0.020518 -0.175836 0.058518 -0.298327 16H 3s -0.057400 -0.009680 -0.047192 0.002818 -0.026167 0.038327 16H 1pz 0.124597 0.165815 -0.060054 -0.151872 0.028143 -0.079909 16H 1px -0.005189 -0.019389 0.011799 0.022165 0.002372 0.059827 16H 1py 0.093373 0.081634 -0.045386 -0.099087 0.006633 -0.017820 17H 1s -0.162471 -0.150348 0.052165 0.125760 0.011499 0.099945 17H 2s -0.264046 -0.207560 0.217963 0.256964 0.064301 -0.174252 17H 3s 0.053366 0.025183 -0.036895 0.005461 -0.034613 0.043391 17H 1pz 0.116431 0.101721 -0.041618 -0.091535 -0.030981 -0.019478 17H 1px 0.138786 0.122192 -0.086319 -0.125316 -0.012171 0.030117 17H 1py -0.115628 -0.121071 0.061724 0.094952 0.016357 0.030278 18H 1s -0.160047 0.150110 -0.053998 -0.121328 0.009298 -0.101266 18H 2s -0.264933 0.204867 -0.223244 -0.247717 0.069437 0.168731 18H 3s 0.051237 -0.025887 0.036263 -0.005587 -0.035771 -0.042360 18H 1pz -0.119136 0.105012 -0.045128 -0.091614 0.031004 -0.021892 18H 1px -0.138512 0.121940 -0.088877 -0.121027 0.013174 0.028185 18H 1py 0.109958 -0.116536 0.061156 0.087763 -0.014884 0.031538 19H 1s 0.169571 -0.144964 0.095511 0.142525 0.003529 -0.027876 19H 2s 0.056413 -0.234625 0.019623 0.169859 0.065390 0.300807 19H 3s -0.057884 0.008656 0.046398 -0.002177 -0.028405 -0.037757 19H 1pz -0.120405 0.164009 -0.060032 -0.144039 -0.029185 -0.080230 19H 1px 0.005477 -0.021536 0.012579 0.022944 -0.001034 0.060893 19H 1py -0.096177 0.086034 -0.047641 -0.100289 -0.007289 -0.020285 20H 1s -0.008025 0.149171 0.094227 0.107040 -0.181015 0.000005 20H 2s -0.057304 0.329275 0.310987 0.298052 -0.421790 -0.106335 20H 3s -0.103095 -0.186612 -0.111648 -0.099678 0.242166 -0.001014 20H 1pz 0.028287 0.037513 0.031915 0.010631 -0.055100 -0.033256 20H 1px -0.031166 -0.050999 -0.044943 -0.027478 0.058411 0.031126 20H 1py -0.080374 0.193706 0.172528 0.177611 -0.226777 -0.009239 21H 1s 0.104605 0.043107 0.017049 0.002439 -0.060721 -0.054923 21H 2s 0.364195 0.023322 -0.091933 -0.084808 0.037190 -0.345166 21H 3s -0.186551 -0.106440 -0.003981 0.029563 0.040099 0.045300 21H 1pz -0.035300 -0.036451 0.010405 -0.008271 0.018636 0.053746 21H 1px -0.182025 -0.012627 0.035829 0.040420 0.007428 0.132745 21H 1py -0.040403 0.035669 0.026393 0.060075 -0.041702 0.017568 22H 1s -0.172673 0.114892 0.062439 0.106430 -0.150874 0.081823 22H 2s -0.358433 -0.119457 -0.059806 0.184299 -0.055653 0.285282 22H 3s 0.191482 0.004858 -0.073004 -0.151900 0.026935 -0.085387 22H 1pz 0.057899 0.058131 0.034195 -0.031914 0.007506 -0.064692 22H 1px -0.195737 0.033524 0.018727 0.093068 -0.095864 0.099095 22H 1py 0.030847 -0.065642 -0.036208 -0.012050 0.025363 0.030242 23H 1s -0.069583 -0.048822 0.061993 0.012706 -0.055662 -0.019819 23H 2s -0.162854 -0.057831 0.137177 0.133414 -0.027456 -0.258509 23H 3s 0.105451 0.117780 -0.092306 -0.057532 0.045887 -0.012835 23H 1pz -0.051230 -0.000043 -0.079403 0.050285 0.030599 -0.040692 23H 1px 0.074935 0.018960 -0.017437 -0.039798 0.009599 0.059592 23H 1py 0.046990 0.035622 -0.093002 -0.044826 0.038175 0.069270 24H 1s -0.008230 -0.073102 0.155795 -0.040699 -0.098147 0.028136 24H 2s -0.021043 -0.195166 0.386970 -0.164990 -0.207818 -0.102334 24H 3s 0.117378 0.133686 -0.181911 0.014388 0.134845 -0.041738 24H 1pz -0.044933 0.085796 -0.209781 0.111031 0.111788 -0.017052 24H 1px 0.043279 0.076207 -0.104037 0.026124 0.061193 0.037841 24H 1py -0.011239 -0.018249 0.002102 0.016717 -0.003736 -0.017584 25H 1s 0.138049 -0.020961 0.147788 -0.076140 -0.109653 0.102960 25H 2s 0.237311 0.260601 -0.034290 -0.160743 -0.031874 0.217816 25H 3s -0.126939 -0.058045 -0.098118 0.120795 0.012788 -0.101787 25H 1pz 0.027407 -0.064889 0.064728 -0.005678 -0.017421 -0.031536 25H 1px 0.155438 0.072089 0.054183 -0.081174 -0.065643 0.098149 25H 1py 0.062264 -0.036636 0.065276 -0.027251 -0.031296 0.009601 26O 1s 0.008487 -0.002863 -0.007493 0.010138 -0.004201 -0.003574 26O 2s 0.023733 -0.012183 -0.018285 0.031654 -0.010684 -0.015573 26O 3s -0.081450 0.130939 -0.071282 -0.122848 -0.033053 0.171298 26O 4s -0.113546 -0.234210 0.872824 -0.326249 0.614233 -0.559578 26O 5s -1.003328 0.078315 0.653685 -1.124244 -0.641208 0.778787 26O 1pz 0.020435 0.073325 -0.076762 -0.011306 -0.031649 -0.090769 26O 1px 0.019203 0.024397 -0.041633 -0.004453 -0.054938 -0.074592 26O 1py 0.000915 0.035024 -0.061634 -0.021928 -0.037532 -0.077675 26O 2pz -0.162071 -0.310407 0.290411 0.100190 0.148098 0.205390 26O 2px 0.279288 -0.071994 -0.645205 0.634915 -0.209546 0.188731 26O 2py 0.070550 -0.147400 -0.073686 0.356336 0.001148 0.179996 26O 3pz -0.246995 -0.127832 -0.204045 0.245436 -0.432215 0.509220 26O 3px 0.243016 -0.199144 -0.498097 0.673882 -0.123231 0.049772 26O 3py 0.000698 -0.304137 -0.387096 0.294639 -0.301262 0.306845 26O 1dz2 -0.006202 0.018037 0.027933 -0.029324 0.007293 0.019466 26O 1dxz -0.008017 -0.000156 -0.002371 -0.000330 -0.003370 -0.003973 26O 1dyz 0.008925 0.009295 0.003153 -0.024635 -0.006271 0.021422 26O 1dx2y2 0.009060 -0.008810 -0.024189 0.028235 -0.010315 -0.002145 26O 1dxy 0.001942 0.000185 -0.019819 0.024440 -0.015526 -0.000261 26O 2dz2 0.083733 -0.008726 -0.190680 0.175461 -0.106259 0.086929 26O 2dxz 0.105471 0.038431 -0.160363 0.067219 -0.085473 -0.054634 26O 2dyz 0.054998 -0.024908 -0.111896 0.079046 -0.101604 0.052135 26O 2dx2y2 -0.124990 -0.001542 0.275323 -0.207480 0.125088 -0.036936 26O 2dxy -0.097885 0.004752 0.136304 -0.117861 0.025918 -0.046614 26O 1f0 -0.020076 -0.018820 0.004104 -0.002529 -0.000649 0.002859 26O 1f+1 -0.002752 0.002434 0.010524 -0.001472 0.016849 0.011599 26O 1f-1 -0.023966 -0.023364 0.002902 0.028622 -0.009009 -0.002960 26O 1f+2 0.010845 0.012215 0.008781 -0.027294 0.006545 0.007768 26O 1f-2 0.033282 0.006424 -0.042737 0.011427 -0.008979 -0.016387 26O 1f+3 0.006651 -0.001958 0.002102 -0.004800 0.006118 0.005721 26O 1f-3 -0.006540 -0.015550 0.027203 -0.012437 0.021206 0.019724 27O 1s -0.009461 -0.002717 -0.006682 -0.012457 -0.008056 -0.003143 27O 2s -0.027841 -0.003881 -0.019068 -0.038994 -0.023928 -0.015137 27O 3s 0.137868 -0.109114 0.040108 0.160549 0.041468 0.190611 27O 4s -0.128247 0.556681 0.325980 0.323180 0.656218 -0.628925 27O 5s 1.216082 0.417147 0.535936 1.124638 -0.599929 0.655054 27O 1pz -0.011382 -0.062142 0.010793 -0.003892 -0.021660 -0.025763 27O 1px -0.028640 -0.108324 -0.012712 -0.019320 -0.082822 -0.085868 27O 1py 0.035366 0.133741 0.018259 0.004530 0.066159 0.070356 27O 2pz 0.123136 0.279718 0.016100 0.058544 0.140687 0.010137 27O 2px -0.197983 -0.131523 -0.404769 -0.704468 -0.341591 0.274137 27O 2py -0.174931 -0.423461 -0.033969 0.132036 -0.160293 -0.125305 27O 3pz 0.244744 0.056376 0.060791 -0.128212 -0.355626 0.252243 27O 3px -0.160928 -0.152199 -0.426873 -0.709290 -0.343057 0.020356 27O 3py -0.267940 -0.072054 0.306561 0.231085 0.602239 -0.320820 27O 1dz2 0.009521 0.005262 0.019394 0.012347 0.016613 -0.001916 27O 1dxz 0.005733 -0.001866 0.000633 0.010565 0.002493 -0.002050 27O 1dyz 0.006954 0.003396 -0.008185 -0.021064 -0.003121 -0.025558 27O 1dx2y2 -0.009989 -0.009786 -0.019320 -0.053654 -0.032408 -0.011667 27O 1dxy -0.005730 0.009342 0.000767 0.006943 0.013347 -0.003770 27O 2dz2 -0.060471 -0.073760 -0.069740 -0.132525 -0.054572 0.038834 27O 2dxz -0.089751 -0.077809 -0.079975 -0.111129 -0.123583 0.011713 27O 2dyz -0.004989 -0.024894 0.036953 0.067149 0.093235 -0.066234 27O 2dx2y2 0.138347 0.140886 0.206308 0.282755 0.224608 -0.109755 27O 2dxy 0.078596 0.085961 0.042677 0.055617 0.148590 0.019995 27O 1f0 -0.004510 -0.002176 -0.002060 0.009224 0.011222 0.006787 27O 1f+1 -0.000279 0.021403 0.011493 0.005844 0.019051 0.011622 27O 1f-1 -0.015056 -0.025562 0.007344 -0.007634 -0.003979 0.007455 27O 1f+2 -0.025288 -0.004890 0.007397 0.029961 0.031483 0.017691 27O 1f-2 0.017423 0.024785 0.016907 0.031909 0.021142 0.012656 27O 1f+3 0.001779 0.017598 -0.000082 0.011088 0.021065 0.008564 27O 1f-3 -0.033771 -0.035720 -0.008444 0.003091 -0.009799 -0.004281 28O 1s 0.012892 0.010287 -0.014213 0.002231 -0.005888 -0.003204 28O 2s 0.036439 0.035364 -0.043424 0.003102 -0.016062 -0.004637 28O 3s -0.139926 -0.248873 0.184195 0.069387 0.014101 -0.100062 28O 4s -0.097981 0.271802 0.080080 -0.260531 0.445539 0.696721 28O 5s -1.151007 -0.856266 1.009244 -0.212601 -0.707739 -0.108503 28O 1pz 0.003721 -0.026563 -0.120146 0.103820 -0.049418 0.078723 28O 1px -0.048085 -0.009836 0.074204 -0.031082 0.057501 -0.020954 28O 1py -0.002910 -0.038664 -0.053283 0.046206 -0.008525 0.035652 28O 2pz 0.310129 0.338261 -0.163759 -0.195543 -0.048606 -0.404383 28O 2px -0.219163 -0.187212 0.309210 -0.104585 0.110452 0.366814 28O 2py 0.059898 0.206200 0.048014 -0.131511 0.012785 -0.088728 28O 3pz -0.099173 0.445669 -0.178982 -0.093070 -0.378514 -0.489242 28O 3px -0.321458 -0.300042 0.388265 -0.025400 -0.081127 0.052418 28O 3py -0.258390 0.001794 -0.052432 -0.174923 -0.308826 -0.308407 28O 1dz2 0.029639 -0.001996 -0.018372 0.021701 -0.015637 -0.008298 28O 1dxz -0.018434 -0.026190 0.058737 -0.006748 0.023380 0.013039 28O 1dyz 0.020884 -0.016959 0.004067 0.014100 -0.014309 -0.017523 28O 1dx2y2 0.002795 0.022715 -0.008662 -0.000869 -0.002081 -0.008102 28O 1dxy -0.015195 -0.015543 0.026182 -0.013754 0.007151 -0.003652 28O 2dz2 -0.111086 0.022920 0.016456 -0.020685 -0.025897 -0.018913 28O 2dxz 0.219128 0.113612 -0.198007 0.064766 -0.107882 -0.210335 28O 2dyz -0.062161 0.018841 0.029875 -0.048262 -0.050349 -0.067536 28O 2dx2y2 -0.041247 -0.062378 0.136983 -0.032228 0.076077 0.129293 28O 2dxy 0.041154 0.026744 -0.025909 -0.009740 -0.037699 -0.048537 28O 1f0 0.002944 -0.007804 0.008268 -0.001929 0.011782 -0.007168 28O 1f+1 0.011089 0.014603 -0.025060 -0.008143 -0.011245 -0.010320 28O 1f-1 0.009323 0.018940 -0.058564 0.012953 -0.027737 -0.004679 28O 1f+2 0.012904 -0.011805 -0.021857 0.011359 -0.013577 0.005156 28O 1f-2 -0.005582 0.020730 -0.016363 -0.011164 -0.018200 -0.000343 28O 1f+3 0.017285 0.020975 -0.033510 0.018000 -0.021524 0.002765 28O 1f-3 0.007778 0.009506 -0.020478 0.010839 -0.004684 -0.006045 29O 1s -0.001822 0.001884 0.000670 0.000496 0.001630 0.003892 29O 2s -0.005878 0.006657 0.002683 0.001872 0.005667 0.012212 29O 3s 0.037872 -0.060965 -0.022902 -0.019006 -0.038241 -0.099122 29O 4s -0.072909 0.141473 0.070841 0.060523 0.050964 0.133901 29O 5s 0.253068 -0.184696 -0.225890 -0.125165 -0.161493 0.119030 29O 1pz -0.105055 -0.094468 0.052005 0.089137 -0.014406 -0.006006 29O 1px -0.048163 -0.028420 0.007546 0.020582 0.032619 0.096695 29O 1py 0.027493 0.006134 -0.009283 -0.012481 -0.005610 0.011468 29O 2pz 0.426945 0.425633 -0.201746 -0.399284 0.040361 -0.062933 29O 2px 0.205487 0.144928 -0.081567 -0.125694 -0.104863 -0.170894 29O 2py -0.099171 -0.044091 0.045976 0.042154 0.036348 -0.051125 29O 3pz -0.050854 0.024396 -0.053494 -0.053036 -0.019515 -0.041378 29O 3px -0.061586 0.055139 0.058820 -0.002956 0.059209 0.014986 29O 3py -0.047130 0.015124 0.053829 0.039768 0.018779 -0.116987 29O 1dz2 -0.001890 -0.002853 -0.003405 0.002540 0.003998 -0.010183 29O 1dxz -0.001965 -0.003473 0.015235 0.003982 -0.001566 -0.011371 29O 1dyz -0.009839 -0.007440 0.009188 0.013428 -0.000254 -0.002535 29O 1dx2y2 -0.004882 0.001020 -0.004715 0.003765 -0.001979 0.030496 29O 1dxy 0.005927 -0.009189 0.000185 -0.004623 0.001163 0.017423 29O 2dz2 -0.103349 -0.110983 0.043246 0.113578 -0.014254 0.016823 29O 2dxz 0.113569 0.100621 -0.033834 -0.084450 -0.029049 -0.035663 29O 2dyz -0.190179 -0.195416 0.103391 0.190159 -0.004594 0.039065 29O 2dx2y2 0.012811 0.031008 -0.017069 -0.022128 0.021615 0.035851 29O 2dxy -0.084521 -0.094416 0.042771 0.069864 0.025783 0.049363 29O 1f0 -0.012558 -0.007357 0.007030 0.012479 0.000980 -0.002645 29O 1f+1 -0.012250 -0.022636 -0.001286 0.017450 0.001629 0.006644 29O 1f-1 -0.022980 -0.025396 0.013493 0.021515 -0.002318 -0.000670 29O 1f+2 0.015607 0.010717 0.005838 -0.015687 -0.005489 -0.015457 29O 1f-2 0.034629 0.040066 -0.016585 -0.025218 -0.003024 -0.019230 29O 1f+3 -0.009178 -0.016241 0.010633 0.012485 -0.001758 -0.034274 29O 1f-3 -0.029685 -0.005035 0.003115 0.026140 -0.000873 0.004091 30O 1s -0.013164 -0.016905 -0.006689 -0.003770 -0.009235 0.001701 30O 2s -0.036619 -0.052822 -0.020525 -0.007998 -0.027232 0.012072 30O 3s 0.124696 0.247811 0.092251 -0.046755 0.066163 -0.223069 30O 4s 0.166993 0.183212 -0.036519 0.251917 0.539473 0.895524 30O 5s 1.365164 1.150815 0.748064 0.163872 -0.789471 -0.427512 30O 1pz -0.007829 -0.017463 -0.042019 -0.101267 -0.060551 0.057735 30O 1px 0.048375 0.052309 0.016451 0.020330 0.060958 -0.022512 30O 1py -0.012185 0.014647 0.076475 0.114786 0.068639 -0.075514 30O 2pz -0.249268 -0.395700 -0.069340 0.169113 -0.091694 -0.240215 30O 2px 0.241277 0.387257 0.167472 0.184577 0.218266 0.298228 30O 2py 0.336387 0.453396 -0.040340 -0.209282 0.074367 0.271169 30O 3pz 0.073128 -0.527329 0.163899 0.005353 -0.432230 -0.238101 30O 3px 0.425969 0.433770 0.205505 0.030094 -0.173088 -0.101487 30O 3py -0.282358 0.613568 -0.052991 -0.194647 0.641322 0.418517 30O 1dz2 0.000073 -0.002859 -0.001810 -0.004815 -0.000930 0.007554 30O 1dxz 0.005849 0.038650 0.023546 0.003383 0.024434 0.000858 30O 1dyz 0.029826 0.013272 0.004023 0.020988 0.025061 0.020696 30O 1dx2y2 0.022806 -0.004188 0.009496 0.016269 0.008371 0.003645 30O 1dxy -0.016669 -0.055638 -0.018987 -0.018641 -0.031433 0.012087 30O 2dz2 -0.004282 -0.026430 -0.011340 -0.039697 -0.010856 -0.018586 30O 2dxz -0.140279 -0.214569 -0.049839 -0.062239 -0.133353 -0.118478 30O 2dyz -0.192636 -0.073124 -0.073084 -0.067199 0.025029 -0.010788 30O 2dx2y2 -0.067101 0.110572 0.025608 0.025754 0.111201 0.064619 30O 2dxy 0.173715 0.220816 0.043438 0.039467 0.146283 0.160624 30O 1f0 0.009221 0.045306 0.028494 0.022490 0.047163 -0.009249 30O 1f+1 -0.005959 -0.009215 -0.012098 -0.003182 -0.004556 -0.000321 30O 1f-1 -0.005408 -0.001315 0.007680 0.001027 -0.003604 0.000087 30O 1f+2 -0.006402 0.016059 -0.003223 0.005894 0.005445 0.001807 30O 1f-2 -0.019006 0.009264 -0.004106 -0.028452 0.000067 -0.000757 30O 1f+3 -0.021104 -0.058143 -0.015668 -0.023005 -0.046559 0.008264 30O 1f-3 0.004041 -0.003644 -0.002849 0.000505 -0.014102 0.011437 31O 1s -0.013203 0.016804 0.006421 0.003780 -0.009461 -0.001345 31O 2s -0.036792 0.052501 0.019705 0.007885 -0.028006 -0.010905 31O 3s 0.126948 -0.246507 -0.087902 0.049935 0.071530 0.216984 31O 4s 0.160947 -0.179399 0.035320 -0.260854 0.527369 -0.899996 31O 5s 1.378226 -1.149110 -0.741502 -0.177946 -0.767159 0.438012 31O 1pz 0.006040 -0.016808 -0.040103 -0.100105 0.063035 0.054962 31O 1px -0.047844 0.051657 0.014739 0.020355 -0.062074 -0.019908 31O 1py 0.014068 0.013592 0.074863 0.113090 -0.072041 -0.072110 31O 2pz 0.255009 -0.394852 -0.071728 0.163231 0.090097 -0.240612 31O 2px -0.240474 0.383930 0.165924 0.187602 -0.218362 0.301144 31O 2py -0.342813 0.454115 -0.038343 -0.201118 -0.071020 0.270068 31O 3pz -0.078583 -0.523244 0.167238 0.011956 0.427511 -0.254881 31O 3px -0.428243 0.432948 0.203035 0.035495 0.166050 -0.102302 31O 3py 0.288025 0.609152 -0.055825 -0.205860 -0.635808 0.442842 31O 1dz2 -0.000043 0.002912 0.001922 0.004855 -0.001178 -0.007439 31O 1dxz 0.005980 -0.038503 -0.023367 -0.003283 0.025158 -0.001565 31O 1dyz 0.029692 -0.013271 -0.003490 -0.021355 0.025083 -0.021259 31O 1dx2y2 0.022778 0.004010 -0.009257 -0.016624 0.008699 -0.003872 31O 1dxy -0.016682 0.055402 0.018740 0.018635 -0.032519 -0.011022 31O 2dz2 -0.003677 0.026240 0.011020 0.039751 -0.011020 0.018464 31O 2dxz -0.139642 0.212888 0.048437 0.063988 -0.133669 0.122015 31O 2dyz -0.193725 0.073760 0.072756 0.071725 0.022511 0.009578 31O 2dx2y2 -0.068845 -0.108728 -0.024771 -0.022915 0.110712 -0.067883 31O 2dxy 0.173456 -0.220189 -0.041789 -0.042328 0.146251 -0.163903 31O 1f0 -0.009078 0.045115 0.028274 0.022311 -0.048402 -0.007594 31O 1f+1 0.006110 -0.009097 -0.011990 -0.003251 0.004842 -0.000597 31O 1f-1 0.005367 -0.001338 0.007720 0.000947 0.003413 0.000180 31O 1f+2 0.006626 0.016005 -0.002952 0.005723 -0.005605 0.002131 31O 1f-2 0.018325 0.009787 -0.003371 -0.028294 -0.000331 -0.000816 31O 1f+3 0.020880 -0.057870 -0.015196 -0.022927 0.047621 0.006744 31O 1f-3 -0.003937 -0.003414 -0.002703 0.000811 0.014261 0.010931 32O 1s -0.001811 -0.001938 -0.000738 -0.000435 0.001585 -0.003910 32O 2s -0.005839 -0.006826 -0.002895 -0.001659 0.005553 -0.012273 32O 3s 0.037587 0.062079 0.024272 0.017214 -0.037655 0.099360 32O 4s -0.073169 -0.143880 -0.072979 -0.056451 0.052182 -0.133720 32O 5s 0.257263 0.192541 0.231734 0.117736 -0.169950 -0.116598 32O 1pz 0.105110 -0.094587 0.053260 0.086419 0.013717 -0.005423 32O 1px 0.046031 -0.028000 0.008328 0.019152 -0.030474 0.097643 32O 1py -0.024791 0.004028 -0.008304 -0.010230 0.005901 0.011839 32O 2pz -0.426389 0.426735 -0.207657 -0.387189 -0.039507 -0.065680 32O 2px -0.199528 0.142569 -0.084363 -0.118741 0.101671 -0.174056 32O 2py 0.087969 -0.033295 0.041992 0.031371 -0.037395 -0.052601 32O 3pz 0.050785 0.024799 -0.053533 -0.052172 0.019870 -0.042008 32O 3px 0.059150 0.055470 0.058781 -0.003960 -0.060766 0.015908 32O 3py 0.051436 0.017636 0.055098 0.037589 -0.021972 -0.116738 32O 1dz2 -0.002279 0.003042 0.003666 -0.002627 0.004200 0.010102 32O 1dxz -0.001937 0.003609 -0.015125 -0.003817 -0.001068 0.011438 32O 1dyz -0.009911 0.007501 -0.009259 -0.013031 0.000008 0.002118 32O 1dx2y2 -0.004998 -0.000966 0.004718 -0.003665 -0.002674 -0.030421 32O 1dxy 0.005981 0.009301 -0.000265 0.004490 0.000748 -0.017659 32O 2dz2 -0.095748 0.103704 -0.039748 -0.103440 -0.014146 -0.015726 32O 2dxz 0.116512 -0.103963 0.037551 0.084965 -0.028297 0.038509 32O 2dyz -0.191395 0.198168 -0.106916 -0.186587 -0.004984 -0.042473 32O 2dx2y2 0.017443 -0.035621 0.019588 0.025750 0.020512 -0.034757 32O 2dxy -0.079632 0.090597 -0.042388 -0.064236 0.024559 -0.050389 32O 1f0 0.011169 -0.005849 0.006369 0.010888 -0.001084 -0.002328 32O 1f+1 0.013485 -0.023928 -0.000680 0.017882 -0.001383 0.007581 32O 1f-1 0.023131 -0.025590 0.014226 0.021175 0.002158 -0.001297 32O 1f+2 -0.015305 0.010825 0.005309 -0.015099 0.004903 -0.015014 32O 1f-2 -0.034464 0.040024 -0.017247 -0.024426 0.002634 -0.018638 32O 1f+3 0.007163 -0.014450 0.010067 0.010548 0.001150 -0.034947 32O 1f-3 0.029854 -0.005182 0.003552 0.025751 0.000977 0.003708 33O 1s 0.012801 -0.010337 0.013990 -0.002335 -0.005990 0.003115 33O 2s 0.036183 -0.035531 0.042680 -0.003327 -0.016446 0.004307 33O 3s -0.139010 0.250279 -0.180092 -0.069809 0.017403 0.102730 33O 4s -0.099290 -0.275510 -0.077105 0.265810 0.434543 -0.701563 33O 5s -1.141067 0.853915 -1.019838 0.213686 -0.689215 0.130988 33O 1pz -0.001375 -0.026124 -0.117052 0.103586 0.051916 0.078717 33O 1px 0.047432 -0.010271 0.072349 -0.031898 -0.058710 -0.020195 33O 1py 0.004245 -0.038444 -0.052217 0.046015 0.010146 0.035977 33O 2pz -0.315280 0.336149 -0.166955 -0.191897 0.045469 -0.400686 33O 2px 0.217935 -0.185375 0.306880 -0.105830 -0.107832 0.361888 33O 2py -0.065113 0.205664 0.044444 -0.130165 -0.015073 -0.089199 33O 3pz 0.091465 0.444726 -0.166042 -0.095709 0.368936 -0.489789 33O 3px 0.322113 -0.299503 0.387981 -0.026692 0.076106 0.048090 33O 3py 0.253336 0.004192 -0.043128 -0.179894 0.304008 -0.313475 33O 1dz2 0.029234 0.001952 0.018116 -0.022236 -0.015697 0.008411 33O 1dxz -0.018300 0.026295 -0.057996 0.006926 0.024043 -0.012737 33O 1dyz 0.020835 0.016794 -0.003910 -0.014632 -0.014037 0.017920 33O 1dx2y2 0.002794 -0.022595 0.008368 0.000844 -0.001893 0.007748 33O 1dxy -0.015167 0.015579 -0.026141 0.014129 0.007642 0.003719 33O 2dz2 -0.110475 -0.023055 -0.018857 0.022611 -0.024250 0.018082 33O 2dxz 0.219005 -0.113085 0.197071 -0.067788 -0.107053 0.209668 33O 2dyz -0.061816 -0.018894 -0.032411 0.049415 -0.048160 0.066884 33O 2dx2y2 -0.041089 0.062404 -0.134789 0.032239 0.075433 -0.128252 33O 2dxy 0.042306 -0.027063 0.026395 0.009160 -0.037358 0.049755 33O 1f0 -0.002607 -0.007789 0.008431 -0.002231 -0.012265 -0.006772 33O 1f+1 -0.010785 0.014705 -0.024565 -0.008124 0.011426 -0.010271 33O 1f-1 -0.009274 0.019025 -0.057854 0.012921 0.028579 -0.004372 33O 1f+2 -0.011849 -0.011784 -0.020480 0.010937 0.013537 0.005342 33O 1f-2 0.005007 0.020851 -0.016327 -0.011171 0.018536 -0.000653 33O 1f+3 -0.017096 0.021088 -0.033200 0.018440 0.022101 0.002697 33O 1f-3 -0.007506 0.009588 -0.020244 0.011052 0.004851 -0.005949 34O 1s -0.009206 0.002547 0.006443 0.012463 -0.008131 0.003439 34O 2s -0.026969 0.003304 0.018354 0.038982 -0.023959 0.016038 34O 3s 0.131838 0.113271 -0.036788 -0.160675 0.036044 -0.192867 34O 4s -0.121442 -0.562771 -0.324327 -0.317966 0.687300 0.609051 34O 5s 1.196247 -0.415275 -0.528034 -1.138204 -0.596900 -0.659449 34O 1pz 0.011164 -0.061882 0.011148 -0.004206 0.021661 -0.026505 34O 1px 0.026729 -0.106737 -0.010728 -0.018635 0.081976 -0.087110 34O 1py -0.034707 0.133125 0.017249 0.004779 -0.066258 0.071981 34O 2pz -0.123179 0.279309 0.013487 0.060863 -0.144559 0.014387 34O 2px 0.195381 -0.133078 -0.402434 -0.703899 0.361146 0.255677 34O 2py 0.175715 -0.422160 -0.030300 0.129022 0.161301 -0.127204 34O 3pz -0.245769 0.058046 0.062090 -0.122054 0.359891 0.245438 34O 3px 0.154177 -0.150347 -0.424475 -0.705485 0.356966 0.007337 34O 3py 0.268397 -0.075549 0.307565 0.222177 -0.615649 -0.307701 34O 1dz2 0.009355 -0.005024 -0.019148 -0.012298 0.017100 0.001320 34O 1dxz 0.005693 0.001771 -0.000686 -0.010670 0.002668 0.001878 34O 1dyz 0.007269 -0.003534 0.008462 0.020984 -0.002876 0.025882 34O 1dx2y2 -0.009392 0.009549 0.018983 0.053491 -0.032850 0.012915 34O 1dxy -0.006002 -0.009110 -0.000425 -0.006700 0.013466 0.003520 34O 2dz2 -0.059482 0.073738 0.068422 0.132474 -0.057833 -0.036487 34O 2dxz -0.090603 0.077896 0.079183 0.112523 -0.127555 -0.007028 34O 2dyz -0.004983 0.025176 -0.036298 -0.066194 0.095482 0.063461 34O 2dx2y2 0.137480 -0.140333 -0.203835 -0.282867 0.233729 0.101582 34O 2dxy 0.078997 -0.085577 -0.041341 -0.056654 0.150321 -0.024256 34O 1f0 0.004274 -0.002145 -0.001849 0.009086 -0.011145 0.007294 34O 1f+1 0.000262 0.021253 0.011422 0.005666 -0.019291 0.012351 34O 1f-1 0.014900 -0.025511 0.007775 -0.007646 0.004136 0.007188 34O 1f+2 0.025875 -0.005377 0.007383 0.029203 -0.031186 0.018590 34O 1f-2 -0.016874 0.024317 0.016513 0.031888 -0.021386 0.013553 34O 1f+3 -0.000953 0.017207 -0.000736 0.010670 -0.020916 0.008898 34O 1f-3 0.034035 -0.036000 -0.008149 0.002551 0.010364 -0.004748 35O 1s 0.008217 0.002869 0.007224 -0.010181 -0.004192 0.003401 35O 2s 0.022847 0.012249 0.017392 -0.031701 -0.010471 0.014871 35O 3s -0.076285 -0.132625 0.076588 0.121409 -0.039161 -0.163796 35O 4s -0.115204 0.242068 -0.873057 0.333652 0.642873 0.538938 35O 5s -0.988684 -0.080225 -0.660214 1.129164 -0.643530 -0.759947 35O 1pz -0.020585 0.073064 -0.075068 -0.011067 0.030509 -0.089384 35O 1px -0.018547 0.024152 -0.039129 -0.004897 0.053190 -0.072838 35O 1py -0.001326 0.035198 -0.060417 -0.022139 0.037009 -0.076925 35O 2pz 0.163552 -0.310055 0.285556 0.097319 -0.146893 0.202789 35O 2px -0.271722 -0.067960 -0.643850 0.640323 0.226409 0.182367 35O 2py -0.064175 -0.147258 -0.073258 0.357245 0.003077 0.178471 35O 3pz 0.253918 -0.128065 -0.194287 0.241421 0.443874 0.510178 35O 3px -0.232016 -0.199342 -0.495288 0.674260 0.133075 0.055359 35O 3py 0.006919 -0.304638 -0.381069 0.295391 0.315328 0.310191 35O 1dz2 -0.005501 -0.018071 -0.027298 0.029381 0.007347 -0.019149 35O 1dxz -0.008085 0.000155 0.002154 0.000455 -0.003278 0.003946 35O 1dyz 0.009372 -0.009370 -0.003187 0.024414 -0.006647 -0.021107 35O 1dx2y2 0.008617 0.008720 0.023773 -0.028295 -0.010657 0.002121 35O 1dxy 0.001465 -0.000222 0.019178 -0.024329 -0.015676 0.000256 35O 2dz2 0.081060 0.007826 0.189156 -0.176691 -0.111056 -0.085754 35O 2dxz 0.104085 -0.038338 0.157593 -0.068834 -0.086711 0.053684 35O 2dyz 0.053431 0.024628 0.109347 -0.079902 -0.104547 -0.052347 35O 2dx2y2 -0.122543 0.003078 -0.274378 0.209686 0.131297 0.035573 35O 2dxy -0.094908 -0.004645 -0.135523 0.119356 0.028461 0.045985 35O 1f0 0.020333 -0.018941 0.004629 -0.002905 0.000492 0.003022 35O 1f+1 0.002183 0.002415 0.009833 -0.001159 -0.016645 0.011336 35O 1f-1 0.024607 -0.023570 0.002961 0.028274 0.008881 -0.002984 35O 1f+2 -0.011717 0.012258 0.008055 -0.026847 -0.006350 0.007345 35O 1f-2 -0.032865 0.006350 -0.042087 0.011743 0.009196 -0.016018 35O 1f+3 -0.006890 -0.001833 0.001515 -0.004712 -0.005813 0.005507 35O 1f-3 0.006566 -0.015717 0.026866 -0.012597 -0.021237 0.019689 588 589 590 591 592 593 4.19212 4.26938 4.39791 4.39989 4.40896 4.41565 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s -0.004016 0.005052 -0.000461 -0.000160 -0.001000 -0.000099 0Rh 2s 0.037474 -0.060448 0.003721 0.002630 0.008545 -0.002824 0Rh 3s -0.001520 -0.006013 -0.000533 0.000618 -0.000868 -0.002277 0Rh 4s -0.210638 0.339693 -0.021235 -0.014815 -0.048682 0.015631 0Rh 5s 0.497539 -0.853637 0.049200 0.039829 0.114415 -0.051655 0Rh 6s -0.513522 1.087733 -0.044116 -0.061453 -0.109239 0.119804 0Rh 7s 0.736306 -2.454936 0.053555 0.186223 0.174042 -0.551616 0Rh 8s -0.027688 0.203299 0.041372 0.015358 0.128957 0.084219 0Rh 1pz -0.000529 0.002075 -0.000838 0.002654 -0.002139 -0.000908 0Rh 1px 0.000548 -0.011715 0.000860 0.002752 0.002179 -0.005684 0Rh 1py -0.002639 -0.002582 -0.000677 0.000499 0.001126 0.004819 0Rh 2pz 0.002178 -0.007544 0.003441 -0.010687 0.008759 0.003903 0Rh 2px -0.002055 0.044785 -0.003499 -0.010828 -0.008726 0.022158 0Rh 2py 0.010573 0.009932 0.002856 -0.001977 -0.004629 -0.019472 0Rh 3pz -0.007301 0.004214 -0.011233 0.029777 -0.028373 -0.015589 0Rh 3px 0.002526 -0.076945 0.010540 0.025012 0.023145 -0.046330 0Rh 3py -0.028911 -0.018490 -0.011262 0.004478 0.015343 0.055228 0Rh 4pz 0.013211 0.052324 0.019049 -0.030478 0.048690 0.029244 0Rh 4px 0.008508 -0.074230 -0.014085 -0.009312 -0.019408 -0.005249 0Rh 4py 0.029734 -0.009667 0.026633 0.001580 -0.027566 -0.057579 0Rh 5pz -0.025567 -0.126398 -0.029334 0.008934 -0.078089 -0.029667 0Rh 5px -0.024169 0.284660 0.014531 -0.023862 0.003257 0.103998 0Rh 5py -0.014371 0.048908 -0.052491 -0.019359 0.046254 0.014288 0Rh 6pz 0.143832 0.066255 0.093711 0.079675 0.293812 0.025253 0Rh 6px 0.065528 -0.008306 -0.118947 -0.001853 -0.323955 -0.077107 0Rh 6py -0.023533 0.024318 0.135720 0.014411 -0.148556 0.132940 0Rh 1dz2 -0.062287 0.062960 -0.005844 -0.005746 -0.002961 0.013214 0Rh 1dxz 0.008139 0.099383 0.011827 -0.005079 0.008526 0.026272 0Rh 1dyz -0.119154 0.013637 0.000698 0.002587 0.005726 0.005375 0Rh 1dx2y2 0.006523 -0.135447 -0.001692 0.012808 0.005341 -0.030588 0Rh 1dxy -0.034858 -0.047283 0.003658 0.001844 -0.015981 -0.011746 0Rh 2dz2 -0.011637 0.009530 -0.001018 -0.000280 -0.000245 0.001275 0Rh 2dxz 0.000830 0.016153 0.000848 -0.001466 0.001185 0.003576 0Rh 2dyz -0.021402 0.001909 -0.000215 0.002191 0.000248 0.002125 0Rh 2dx2y2 0.001073 -0.021318 -0.000817 0.001378 0.000746 -0.002844 0Rh 2dxy -0.005380 -0.007575 0.000570 0.000372 -0.001242 -0.001601 0Rh 3dz2 0.298808 -0.294127 0.028319 0.024502 0.013286 -0.059816 0Rh 3dxz -0.035935 -0.470575 -0.052068 0.027525 -0.040281 -0.123910 0Rh 3dyz 0.568346 -0.062447 -0.001945 -0.021079 -0.024340 -0.031878 0Rh 3dx2y2 -0.030271 0.637983 0.010644 -0.058622 -0.025180 0.138035 0Rh 3dxy 0.162400 0.223669 -0.017563 -0.009342 0.071073 0.055380 0Rh 4dz2 -0.490481 0.465731 -0.046060 -0.035100 -0.021039 0.094406 0Rh 4dxz 0.053900 0.758048 0.079852 -0.050682 0.066146 0.204448 0Rh 4dyz -0.931432 0.095366 0.001569 0.050005 0.035059 0.062999 0Rh 4dx2y2 0.045834 -1.022538 -0.021078 0.094279 0.040093 -0.217272 0Rh 4dxy -0.261951 -0.360453 0.028912 0.016330 -0.110570 -0.090899 0Rh 5dz2 0.656044 -0.499537 0.050616 0.032486 -0.002239 -0.076451 0Rh 5dxz -0.046940 -0.844523 -0.061282 0.076134 -0.066724 -0.244382 0Rh 5dyz 1.244774 -0.097606 0.034525 -0.077933 -0.048125 -0.092291 0Rh 5dx2y2 -0.046611 1.123798 0.040584 -0.100376 -0.023894 0.203661 0Rh 5dxy 0.342123 0.401497 -0.009885 0.004673 0.072911 0.117061 0Rh 1f0 -0.005328 0.004508 0.001840 -0.000035 -0.009159 0.004938 0Rh 1f+1 -0.002693 -0.009293 -0.002726 -0.001594 0.004670 -0.006584 0Rh 1f-1 -0.003925 -0.000712 0.010124 0.007015 -0.007116 0.003597 0Rh 1f+2 0.000365 -0.008716 -0.004983 -0.002725 -0.010559 0.006060 0Rh 1f-2 0.007893 -0.001170 -0.003908 0.000094 -0.002525 0.004365 0Rh 1f+3 -0.000157 -0.011707 0.002746 0.000903 0.005229 -0.007191 0Rh 1f-3 -0.007721 -0.008861 0.004239 0.007023 -0.006151 0.000359 1Rh 1s -0.003673 0.005065 0.000461 0.000152 0.000987 -0.000325 1Rh 2s 0.034356 -0.060568 -0.004339 -0.000095 -0.008940 -0.000842 1Rh 3s -0.001338 -0.006008 0.000159 0.000851 0.000557 -0.002443 1Rh 4s -0.193106 0.340364 0.024670 0.000706 0.050868 0.004334 1Rh 5s 0.456518 -0.855200 -0.059716 0.002989 -0.121589 -0.024827 1Rh 6s -0.473033 1.089235 0.065505 -0.024351 0.125688 0.092952 1Rh 7s 0.680769 -2.458104 -0.130581 0.124275 -0.247654 -0.504922 1Rh 8s -0.042493 0.200971 -0.043768 -0.011433 -0.115932 0.108553 1Rh 1pz 0.000497 -0.002053 0.000668 -0.002761 -0.002103 0.001330 1Rh 1px -0.000211 0.011876 0.002096 -0.001796 0.002902 0.005180 1Rh 1py 0.002661 0.002611 -0.000572 -0.000837 0.000361 -0.005004 1Rh 2pz -0.002046 0.007464 -0.002630 0.011162 0.008576 -0.005627 1Rh 2px 0.000727 -0.045424 -0.008350 0.007000 -0.011539 -0.020146 1Rh 2py -0.010650 -0.010048 0.002420 0.003422 -0.001537 0.020230 1Rh 3pz 0.006822 -0.004217 0.005872 -0.032175 -0.027111 0.021133 1Rh 3px 0.000611 0.078540 0.021501 -0.014724 0.028935 0.041168 1Rh 3py 0.028880 0.018729 -0.009910 -0.010589 0.006617 -0.057681 1Rh 4pz -0.012169 -0.051407 0.000538 0.037869 0.045089 -0.038704 1Rh 4px -0.010243 0.073122 -0.017151 -0.000447 -0.018380 0.008940 1Rh 4py -0.028766 0.009737 0.025516 0.014401 -0.018475 0.061870 1Rh 5pz 0.023309 0.123623 -0.020467 -0.026581 -0.072733 0.045036 1Rh 5px 0.023301 -0.284866 0.001505 0.028306 -0.010515 -0.103016 1Rh 5py 0.011921 -0.049634 -0.053817 -0.014146 0.043599 -0.021693 1Rh 6pz -0.123227 -0.053320 0.121363 -0.006525 0.282397 -0.083594 1Rh 6px -0.095535 -0.000679 -0.100118 -0.070120 -0.310641 0.137480 1Rh 6py 0.021269 -0.025155 0.116782 0.064575 -0.167091 -0.103246 1Rh 1dz2 -0.061887 0.063351 0.007750 -0.001547 0.004731 0.012228 1Rh 1dxz 0.006831 0.098454 -0.007770 -0.011328 -0.004786 0.027988 1Rh 1dyz -0.119168 0.013430 -0.001937 0.001979 -0.004811 0.006415 1Rh 1dx2y2 0.006876 -0.135552 -0.004798 0.012063 -0.009408 -0.029178 1Rh 1dxy -0.035354 -0.047313 -0.003762 -0.000970 0.014275 -0.014094 1Rh 2dz2 -0.011574 0.009581 0.001045 0.000330 0.000427 0.001176 1Rh 2dxz 0.000701 0.016076 -0.000020 -0.001778 -0.000680 0.003778 1Rh 2dyz -0.021365 0.001905 -0.000863 0.002012 0.000101 0.002167 1Rh 2dx2y2 0.001129 -0.021325 0.000052 0.001638 -0.001130 -0.002689 1Rh 2dxy -0.005417 -0.007578 -0.000646 -0.000039 0.001013 -0.001777 1Rh 3dz2 0.296965 -0.295909 -0.036139 0.004718 -0.021343 -0.055332 1Rh 3dxz -0.030213 -0.466526 0.031693 0.054407 0.022679 -0.131855 1Rh 3dyz 0.568242 -0.061605 0.012151 -0.017652 0.018974 -0.036295 1Rh 3dx2y2 -0.031911 0.638434 0.019357 -0.056773 0.043542 0.131573 1Rh 3dxy 0.164522 0.223803 0.018378 0.004058 -0.063054 0.065801 1Rh 4dz2 -0.487762 0.468415 0.056791 -0.003722 0.033833 0.087331 1Rh 4dxz 0.045582 0.752086 -0.044516 -0.090880 -0.037191 0.217269 1Rh 4dyz -0.931094 0.094206 -0.025800 0.042954 -0.024528 0.069426 1Rh 4dx2y2 0.048425 -1.023136 -0.027556 0.093476 -0.068990 -0.207144 1Rh 4dxy -0.264928 -0.360623 -0.030792 -0.005626 0.097484 -0.107096 1Rh 5dz2 0.654404 -0.501029 -0.060252 -0.001092 -0.008592 -0.073898 1Rh 5dxz -0.040329 -0.840024 0.016575 0.102297 0.032538 -0.255889 1Rh 5dyz 1.243513 -0.096840 0.008877 -0.088461 0.032935 -0.099734 1Rh 5dx2y2 -0.050692 1.123211 0.013641 -0.110153 0.051561 0.197518 1Rh 5dxy 0.342761 0.401171 0.004908 0.010887 -0.056615 0.127382 1Rh 1f0 0.005296 -0.004424 0.001269 0.001277 -0.009665 -0.003260 1Rh 1f+1 0.002970 0.009518 -0.003243 -0.000184 0.005575 0.005783 1Rh 1f-1 0.004507 0.000985 0.011855 0.000257 -0.007742 -0.002835 1Rh 1f+2 -0.000431 0.008335 -0.005706 -0.000420 -0.011201 -0.003799 1Rh 1f-2 -0.008017 0.001026 -0.003299 -0.002337 -0.003080 -0.003668 1Rh 1f+3 0.000598 0.011883 0.002840 0.000752 0.006065 0.005962 1Rh 1f-3 0.008211 0.008923 0.007020 -0.003349 -0.006131 0.000543 2C 1s -0.010666 -0.004759 -0.001036 0.001324 0.000633 -0.001309 2C 2s -0.030467 -0.012278 -0.001438 0.004427 0.001132 -0.002922 2C 3s 0.245595 0.068226 0.041258 -0.023088 0.009702 0.003495 2C 4s 0.004962 0.058292 -0.208659 -0.059133 -0.058613 0.016534 2C 5s -0.025573 -0.090742 0.024236 0.073177 0.392282 -0.261943 2C 1pz 0.162196 0.037042 0.004667 -0.023445 0.000556 0.008617 2C 1px 0.048996 0.012704 0.004645 -0.006760 0.000171 0.003028 2C 1py 0.111733 0.034439 0.008440 -0.006279 -0.007764 0.004709 2C 2pz -0.849164 -0.470975 -1.057213 -1.239166 -0.230311 0.292648 2C 2px -0.203940 -0.267091 -0.173652 -0.294031 -0.263180 -0.048083 2C 2py -0.315435 0.032746 0.819386 1.791045 0.364599 -0.670011 2C 3pz 0.107649 0.123607 0.172912 0.218311 0.124260 -0.115994 2C 3px 0.040654 -0.093615 0.021887 0.102208 0.064289 -0.041010 2C 3py 0.004186 0.024377 -0.144887 -0.275902 -0.000546 0.091954 2C 1dz2 -0.006259 -0.027949 0.080961 0.192945 0.029924 -0.080730 2C 1dxz 0.067687 0.096756 0.119759 0.254887 0.083138 -0.056045 2C 1dyz 0.002818 -0.091332 -0.079952 -0.095406 -0.039517 -0.008393 2C 1dx2y2 0.056923 0.049374 0.184448 0.276780 0.034903 -0.093109 2C 1dxy 0.005076 -0.046229 -0.247357 -0.420701 -0.069495 0.138672 2C 2dz2 -0.216368 0.009687 0.193476 0.452631 0.047215 -0.176368 2C 2dxz -0.119193 0.067695 0.426864 0.860724 0.227496 -0.260410 2C 2dyz -0.480860 -0.195827 -0.210055 -0.172367 -0.074801 -0.013708 2C 2dx2y2 0.113370 0.065139 0.423472 0.675868 0.036193 -0.234043 2C 2dxy -0.287452 -0.233082 -0.662676 -1.053243 -0.182461 0.334851 2C 1f0 0.100473 0.129839 0.454821 0.740115 0.085212 -0.247297 2C 1f+1 0.095061 0.051642 -0.161465 -0.311252 -0.065475 0.097316 2C 1f-1 -0.274074 -0.106765 -0.062213 -0.047338 -0.002841 0.016926 2C 1f+2 -0.023936 -0.005528 0.075136 0.200100 0.065110 -0.061176 2C 1f-2 0.143311 0.162748 0.170619 0.263386 0.071526 -0.034846 2C 1f+3 -0.119210 -0.021173 0.162800 0.360879 0.071750 -0.137046 2C 1f-3 0.024661 -0.024439 -0.117391 -0.244184 -0.076799 0.047712 3C 1s 0.007255 -0.002987 0.000212 -0.000712 -0.000919 -0.001481 3C 2s 0.020351 -0.007770 0.000520 -0.002641 -0.000486 -0.005235 3C 3s -0.101433 0.033930 -0.009981 0.026562 0.052970 0.035894 3C 4s -0.402519 0.106977 0.016664 0.003880 -0.307068 -0.006229 3C 5s -0.231158 0.093936 -0.233330 0.107294 0.147383 0.005446 3C 1pz -0.054785 0.018252 0.001276 0.006995 0.000252 0.010857 3C 1px -0.043442 0.011466 -0.002091 0.001152 0.002736 0.008856 3C 1py 0.099193 -0.013452 0.005275 -0.010962 -0.004106 -0.023087 3C 2pz -0.096776 0.242337 -0.088635 -0.493204 0.873415 -1.185814 3C 2px 0.182078 -0.146479 -0.197322 -0.275734 0.497891 -0.931042 3C 2py -0.389587 0.360500 -0.200649 -0.512878 1.482095 -1.042596 3C 3pz -0.029200 0.085450 -0.018113 0.074062 -0.131693 0.227691 3C 3px -0.070732 -0.018460 -0.003050 0.015965 -0.072270 0.076690 3C 3py 0.172090 -0.118882 0.073382 0.065437 -0.271560 0.197965 3C 1dz2 0.018240 0.009519 -0.012681 -0.028758 0.066872 -0.072151 3C 1dxz 0.006795 -0.027354 0.061424 0.128934 -0.297930 0.333642 3C 1dyz -0.056948 0.149844 -0.011095 -0.107160 0.242737 -0.172751 3C 1dx2y2 0.030393 -0.034883 0.034088 0.123488 -0.223847 0.309290 3C 1dxy 0.047188 -0.033800 -0.001315 0.022950 -0.039203 0.053460 3C 2dz2 -0.132466 0.061130 -0.056241 -0.086903 0.228968 -0.179066 3C 2dxz 0.064479 -0.071128 0.147805 0.290882 -0.667174 0.766896 3C 2dyz -0.323983 0.235310 -0.036278 -0.249973 0.719076 -0.522263 3C 2dx2y2 0.005022 -0.168660 0.066968 0.319347 -0.670446 0.819795 3C 2dxy -0.104200 -0.022823 0.020269 0.156639 -0.278380 0.418078 3C 1f0 -0.124378 -0.019848 0.033708 0.180154 -0.351418 0.450119 3C 1f+1 -0.020209 -0.023286 -0.026369 0.037063 -0.074309 0.072358 3C 1f-1 -0.185289 0.201330 -0.049732 -0.203670 0.483708 -0.459317 3C 1f+2 -0.016787 -0.013902 0.006071 0.043913 -0.087171 0.065686 3C 1f-2 0.031262 -0.032827 0.003176 -0.025682 0.040984 -0.081718 3C 1f+3 0.033486 -0.032581 0.066392 0.169621 -0.361628 0.413603 3C 1f-3 -0.023938 0.013528 0.051541 0.059119 -0.125723 0.206240 4C 1s -0.014666 -0.011525 -0.005662 -0.001431 -0.000464 0.000013 4C 2s -0.032371 -0.026018 -0.009439 -0.000983 0.000062 0.000044 4C 3s 0.532107 0.158389 -0.347627 -0.315937 -0.111852 0.069803 4C 4s -0.910510 -0.082683 1.860556 1.409173 0.540675 -0.288806 4C 5s -0.567644 -0.503040 0.035154 -0.068732 -0.000548 -0.077295 4C 1pz -0.013561 0.069321 0.027685 -0.006488 -0.004201 0.015675 4C 1px 0.006587 0.019408 0.009927 0.003078 -0.009691 -0.001994 4C 1py -0.004690 0.049166 0.021142 0.001027 0.003919 0.003603 4C 2pz -1.145418 -0.578171 -0.169829 0.029153 0.208055 -0.021467 4C 2px -0.145823 0.161757 0.481744 0.456108 -0.415815 -0.488441 4C 2py -0.702296 -0.223537 0.274813 0.518453 -0.026371 -0.286492 4C 3pz 0.666850 -0.295639 0.140900 0.053426 0.377669 -0.242324 4C 3px 0.116851 -0.059141 0.008526 0.021398 0.058494 -0.045338 4C 3py 0.449239 -0.194380 0.199971 0.156928 0.219951 -0.256954 4C 1dz2 0.135999 0.042067 0.050714 0.094689 0.045943 -0.016944 4C 1dxz 0.138027 0.080838 0.013332 0.037453 -0.004553 -0.020223 4C 1dyz 0.181601 0.067689 -0.012499 -0.061210 -0.014098 0.036760 4C 1dx2y2 -0.077763 0.025358 0.149436 0.174575 0.024523 -0.051210 4C 1dxy 0.055507 0.061279 0.019557 -0.019847 -0.017215 -0.002950 4C 2dz2 0.003562 -0.097701 -0.010342 0.071661 0.064894 0.066693 4C 2dxz 0.004037 -0.133971 0.029278 0.076566 -0.207187 -0.142603 4C 2dyz -0.240871 -0.114859 0.105792 -0.008827 0.046180 0.023432 4C 2dx2y2 -0.172725 0.173903 0.215032 0.182715 0.070153 -0.075162 4C 2dxy -0.200211 0.052172 0.405017 0.451012 -0.034964 -0.224238 4C 1f0 0.183774 0.049273 -0.187860 -0.315339 -0.044223 0.115997 4C 1f+1 0.204397 -0.017791 -0.140914 -0.200113 -0.057700 0.033114 4C 1f-1 -0.030706 -0.066826 -0.112985 -0.105925 0.006214 0.032320 4C 1f+2 -0.287246 -0.127050 -0.035822 -0.085883 0.027315 0.039045 4C 1f-2 -0.136143 -0.097874 0.037964 0.080586 -0.035924 -0.074283 4C 1f+3 -0.097341 -0.072422 0.062063 0.127203 0.032752 -0.042717 4C 1f-3 0.264794 0.063017 -0.057594 -0.037800 0.005936 0.030915 5C 1s 0.014708 -0.010642 0.000768 0.000287 -0.008540 0.001456 5C 2s 0.034044 -0.024114 0.000842 -0.000884 -0.013723 0.001194 5C 3s -0.523475 0.074024 0.087480 0.161067 -0.611230 0.341412 5C 4s 1.127709 0.195213 -0.497610 -0.689135 3.157160 -1.503245 5C 5s 0.745434 -0.493929 -0.132899 -0.036030 -0.072051 0.021120 5C 1pz -0.003658 0.036615 -0.003900 0.000091 0.022986 0.006617 5C 1px 0.000943 0.020963 -0.003342 -0.012816 0.014606 -0.007583 5C 1py 0.001037 -0.060732 -0.001361 0.001987 -0.037021 -0.014869 5C 2pz 0.287581 -0.069478 0.039032 0.170858 0.134287 -0.002110 5C 2px 0.355839 -0.080209 -0.236885 -0.950065 0.673226 -1.577411 5C 2py -0.585531 0.241765 0.015461 -0.122900 -0.017336 0.087414 5C 3pz -0.328498 -0.125861 -0.169574 0.026859 0.282948 -0.128028 5C 3px -0.162684 -0.085449 -0.108302 -0.013957 0.167503 -0.156095 5C 3py 0.540739 0.216144 0.303088 0.012222 -0.286357 0.052062 5C 1dz2 0.055989 -0.073494 0.014266 0.063201 -0.159252 0.123185 5C 1dxz -0.049611 -0.008569 0.023223 0.020685 -0.158338 0.108816 5C 1dyz 0.112583 -0.039611 -0.001092 -0.041565 -0.001877 -0.073454 5C 1dx2y2 0.111378 -0.017730 0.015240 -0.012060 0.019922 -0.016943 5C 1dxy 0.109123 -0.055550 0.004032 0.051118 0.008854 0.030528 5C 2dz2 -0.173136 -0.110749 0.091395 0.246122 -0.538616 0.513332 5C 2dxz 0.078224 -0.177663 -0.035622 -0.147897 -0.024822 -0.217165 5C 2dyz -0.263186 0.008989 0.014252 -0.055923 -0.272806 -0.077504 5C 2dx2y2 -0.003291 0.191946 -0.125194 -0.204968 0.355909 -0.365609 5C 2dxy -0.216431 0.200915 0.044354 0.257906 -0.139536 0.386456 5C 1f0 -0.118616 0.042477 0.007298 -0.008447 -0.043181 0.040087 5C 1f+1 -0.148530 0.048028 0.011930 0.038918 -0.051826 0.051062 5C 1f-1 0.074844 -0.075831 -0.006431 0.025430 -0.118287 0.086926 5C 1f+2 -0.003802 0.012479 -0.029387 -0.052721 0.148542 -0.133520 5C 1f-2 0.086787 0.005513 0.026981 0.083535 -0.014186 0.166156 5C 1f+3 -0.100745 -0.083254 0.014572 0.073842 -0.186343 0.102500 5C 1f-3 0.209783 -0.021797 -0.041345 -0.140963 0.327978 -0.354202 6C 1s 0.014643 -0.010649 -0.000781 -0.000235 0.008643 -0.000214 6C 2s 0.033921 -0.024143 -0.000283 -0.001316 0.013759 -0.001424 6C 3s -0.526662 0.078964 -0.150189 0.085653 0.651576 0.218825 6C 4s 1.147438 0.177084 0.747561 -0.296296 -3.329329 -0.872665 6C 5s 0.745599 -0.493596 0.134031 0.041068 0.076181 0.010298 6C 1pz 0.003654 -0.036660 -0.003099 -0.002554 0.021707 -0.011024 6C 1px -0.002078 -0.021050 -0.009324 0.008552 0.015245 0.004737 6C 1py -0.001178 0.060482 -0.000155 -0.002145 -0.033996 0.022402 6C 2pz -0.282369 0.075797 0.118260 -0.114160 0.148964 -0.022206 6C 2px -0.369752 0.085495 -0.666636 0.652886 0.864711 1.459148 6C 2py 0.583974 -0.249268 -0.048121 0.108389 -0.036467 -0.083874 6C 3pz 0.329507 0.129822 -0.128660 -0.111625 0.298233 0.076419 6C 3px 0.158607 0.086738 -0.097290 -0.045791 0.186171 0.124500 6C 3py -0.536649 -0.219624 0.264382 0.154697 -0.286491 0.000001 6C 1dz2 0.054295 -0.073032 -0.042834 0.044809 0.176557 0.094438 6C 1dxz -0.050055 -0.007139 -0.029040 0.004514 0.175451 0.081164 6C 1dyz 0.112750 -0.039655 0.021717 -0.034684 -0.009528 -0.075767 6C 1dx2y2 0.111588 -0.019061 -0.006587 -0.017473 -0.019008 -0.010184 6C 1dxy 0.108160 -0.057308 -0.029390 0.041030 -0.005518 0.032490 6C 2dz2 -0.175950 -0.107099 -0.196366 0.155700 0.607427 0.412886 6C 2dxz 0.081472 -0.177087 0.102860 -0.101549 -0.004044 -0.228524 6C 2dyz -0.262800 0.010259 0.017032 -0.054612 0.259082 -0.136143 6C 2dx2y2 0.002989 0.190559 0.205906 -0.099036 -0.397842 -0.298938 6C 2dxy -0.222706 0.203765 -0.163712 0.185003 0.181921 0.359897 6C 1f0 0.118165 -0.044100 0.001363 0.010201 -0.050357 -0.032424 6C 1f+1 0.149911 -0.049845 0.028634 -0.024202 -0.054144 -0.038646 6C 1f-1 -0.075348 0.075675 0.006804 -0.027123 -0.135544 -0.067555 6C 1f+2 0.002750 -0.011227 -0.049560 0.027371 0.166152 0.105969 6C 1f-2 -0.085593 -0.004793 0.064281 -0.054687 -0.038617 -0.168586 6C 1f+3 0.101075 0.082273 0.048008 -0.054492 -0.200120 -0.066970 6C 1f-3 -0.211341 0.026643 -0.101886 0.095143 0.376666 0.293326 7C 1s -0.014683 -0.011480 0.005477 0.002223 0.000407 -0.000333 7C 2s -0.032485 -0.025963 0.008498 0.004858 -0.000118 -0.000356 7C 3s 0.547233 0.170036 0.441631 -0.054513 0.112863 0.030469 7C 4s -0.967523 -0.132028 -2.234323 0.054440 -0.540561 -0.093200 7C 5s -0.565629 -0.499555 0.004182 -0.084143 -0.009352 -0.075546 7C 1pz 0.014466 -0.069050 0.020122 0.022766 -0.006552 -0.016200 7C 1px -0.007138 -0.019338 0.009710 0.003482 -0.009328 0.003228 7C 1py 0.005048 -0.049092 0.018772 0.012142 0.003185 -0.005409 7C 2pz 1.166239 0.594425 -0.139543 -0.123596 0.207765 -0.007626 7C 2px 0.149210 -0.158427 0.610867 -0.088262 -0.352506 0.523861 7C 2py 0.723243 0.239122 0.490151 -0.283154 0.009655 0.277640 7C 3pz -0.650000 0.309839 0.135173 0.042395 0.407987 0.167839 7C 3px -0.117106 0.062572 0.013469 -0.009635 0.061328 0.033142 7C 3py -0.439449 0.203770 0.246923 -0.017298 0.255401 0.211499 7C 1dz2 0.135633 0.040804 -0.096628 0.056057 -0.048064 -0.009204 7C 1dxz 0.143105 0.083375 -0.035200 0.027856 0.000904 -0.021480 7C 1dyz 0.184657 0.070043 0.042300 -0.046599 0.018649 0.033890 7C 1dx2y2 -0.083795 0.020171 -0.217807 0.063536 -0.030047 -0.041030 7C 1dxy 0.056920 0.062019 -0.004937 -0.030877 0.017307 -0.004101 7C 2dz2 0.006354 -0.095228 -0.039998 0.074395 -0.055781 0.073207 7C 2dxz 0.001738 -0.133815 -0.056376 0.044955 0.186134 -0.173420 7C 2dyz -0.248585 -0.119542 -0.074243 -0.079308 -0.038321 0.040437 7C 2dx2y2 -0.178228 0.168405 -0.265303 0.021061 -0.075356 -0.050717 7C 2dxy -0.210975 0.043030 -0.566916 0.145279 0.008111 -0.209530 7C 1f0 -0.192334 -0.056971 -0.320822 0.161963 -0.057628 -0.100907 7C 1f+1 -0.210210 0.012554 -0.224011 0.090517 -0.060081 -0.018065 7C 1f-1 0.028471 0.065549 -0.151322 0.024687 0.002586 -0.028612 7C 1f+2 0.292640 0.130081 -0.085962 0.060655 0.019665 -0.045795 7C 1f-2 0.139621 0.101053 0.067099 -0.044235 -0.026415 0.076911 7C 1f+3 0.102835 0.077010 0.118318 -0.074833 0.037956 0.035243 7C 1f-3 -0.273199 -0.067794 -0.057803 -0.007548 0.003838 -0.025993 8C 1s 0.007266 -0.003069 0.000155 -0.000715 0.000691 -0.001710 8C 2s 0.020359 -0.007989 0.000810 -0.002510 -0.000264 -0.005408 8C 3s -0.100028 0.035342 -0.004325 0.028889 -0.047179 0.046177 8C 4s -0.408363 0.107828 -0.014851 -0.011472 0.300629 -0.065988 8C 5s -0.230570 0.085367 0.143033 0.215705 -0.146131 0.022385 8C 1pz 0.054839 -0.018643 0.004337 -0.004982 -0.000994 -0.010944 8C 1px 0.043425 -0.011941 -0.001438 -0.002136 0.001518 -0.009472 8C 1py -0.098602 0.014721 -0.000683 0.012451 -0.000357 0.024263 8C 2pz 0.094955 -0.240701 -0.315731 0.375616 1.074624 1.054953 8C 2px -0.190101 0.151921 -0.294852 0.115899 0.631532 0.856329 8C 2py 0.380371 -0.362421 -0.415397 0.318481 1.633619 0.773393 8C 3pz 0.029290 -0.085041 0.019482 -0.074014 -0.169426 -0.206665 8C 3px 0.071005 0.021086 0.004540 -0.012899 -0.084314 -0.064133 8C 3py -0.171381 0.117642 0.092146 -0.015910 -0.300688 -0.150424 8C 1dz2 0.018309 0.009164 0.023399 -0.016849 -0.075300 -0.058613 8C 1dxz 0.005238 -0.027584 -0.114854 0.074992 0.352677 0.287227 8C 1dyz -0.056499 0.149442 0.060499 -0.085131 -0.268256 -0.127447 8C 1dx2y2 0.028574 -0.033610 -0.087608 0.085498 0.270715 0.272040 8C 1dxy 0.048408 -0.035572 -0.011056 0.022053 0.053182 0.050936 8C 2dz2 -0.130429 0.063666 0.087595 -0.039910 -0.250346 -0.134247 8C 2dxz 0.063361 -0.073571 -0.266959 0.165451 0.796020 0.666164 8C 2dyz -0.322193 0.234836 0.149314 -0.193033 -0.793544 -0.385269 8C 2dx2y2 0.005099 -0.165205 -0.207896 0.233842 0.792028 0.702095 8C 2dxy -0.104819 -0.021830 -0.094173 0.125729 0.353483 0.379810 8C 1f0 0.125382 0.017086 0.114369 -0.134752 -0.421120 -0.391236 8C 1f+1 0.018101 0.022048 -0.005507 -0.046740 -0.083258 -0.054137 8C 1f-1 0.183768 -0.201342 -0.140913 0.147215 0.558674 0.378318 8C 1f+2 0.018056 0.011375 0.024580 -0.032281 -0.089456 -0.043735 8C 1f-2 -0.034107 0.036866 -0.008197 0.022505 0.048789 0.072883 8C 1f+3 -0.033004 0.032578 0.136950 -0.106330 -0.424463 -0.351879 8C 1f-3 0.024101 -0.013070 0.073649 -0.021381 -0.162273 -0.192334 9C 1s -0.010887 -0.004911 0.000260 0.001796 -0.000786 -0.001244 9C 2s -0.031070 -0.012668 -0.000817 0.004676 -0.001449 -0.002749 9C 3s 0.249577 0.069838 -0.025581 -0.043507 -0.008762 0.006356 9C 4s 0.007719 0.062631 0.208844 0.072293 0.055218 -0.002639 9C 5s -0.055767 -0.113606 -0.054531 0.056315 -0.429656 -0.195679 9C 1pz -0.165025 -0.038784 -0.007477 0.023033 -0.000625 -0.008871 9C 1px -0.049800 -0.013234 0.000514 0.008785 -0.000289 -0.003351 9C 1py -0.114764 -0.035660 0.005286 0.010225 -0.008088 -0.003376 9C 2pz 0.849540 0.462690 -1.559638 0.455930 -0.260027 -0.215022 9C 2px 0.206235 0.270637 -0.337033 0.172108 -0.257642 0.091303 9C 2py 0.332378 -0.008323 1.662140 -1.103465 0.449567 0.590332 9C 3pz -0.099282 -0.119370 0.262132 -0.088797 0.138593 0.088774 9C 3px -0.039195 0.096669 0.074352 -0.079741 0.070672 0.030506 9C 3py -0.004229 -0.020737 -0.274615 0.158354 -0.011532 -0.088385 9C 1dz2 -0.007390 -0.030894 -0.171293 0.121902 -0.039953 -0.073438 9C 1dxz 0.068176 0.095904 -0.244975 0.157809 -0.090634 -0.040067 9C 1dyz 0.005339 -0.088719 0.109895 -0.030603 0.034878 -0.020370 9C 1dx2y2 0.056323 0.048311 -0.318233 0.140721 -0.049586 -0.084430 9C 1dxy 0.009311 -0.040185 0.429633 -0.221219 0.086141 0.117395 9C 2dz2 -0.218011 0.005023 -0.402867 0.282331 -0.068605 -0.162941 9C 2dxz -0.126924 0.058007 -0.827235 0.508624 -0.260228 -0.209401 9C 2dyz -0.485675 -0.195799 0.250044 -0.012001 0.065022 -0.040593 9C 2dx2y2 0.117613 0.066069 -0.758905 0.362863 -0.074998 -0.224341 9C 2dxy -0.285518 -0.225589 1.116168 -0.528984 0.222694 0.278130 9C 1f0 -0.097985 -0.123742 0.791962 -0.386632 0.118817 0.220883 9C 1f+1 -0.103243 -0.058786 -0.291160 0.173250 -0.076007 -0.077696 9C 1f-1 0.280881 0.110570 -0.085409 0.008167 -0.006615 -0.015370 9C 1f+2 0.031133 0.013083 0.165011 -0.130900 0.070651 0.048783 9C 1f-2 -0.143736 -0.161450 0.286860 -0.131063 0.075385 0.017425 9C 1f+3 0.119967 0.023017 0.342718 -0.228977 0.092297 0.122122 9C 1f-3 -0.022699 0.023067 -0.220020 0.138354 -0.079043 -0.026864 10H 1s -0.155983 -0.063145 -0.063473 0.003811 0.062987 0.009221 10H 2s -0.153750 -0.010722 -0.116786 -0.003924 0.164926 0.038667 10H 3s 0.084894 0.128296 0.057533 -0.023640 -0.066874 0.018156 10H 1pz -0.012932 0.023944 -0.096385 -0.123220 0.016334 0.048134 10H 1px 0.123855 0.047390 0.055620 -0.025472 -0.068301 -0.005771 10H 1py 0.035792 0.057641 0.079274 0.138029 0.037571 -0.040710 11H 1s -0.153673 -0.167226 -0.418023 -0.693813 -0.149824 0.178577 11H 2s -0.332657 -0.479863 -1.048307 -1.741033 -0.422727 0.469335 11H 3s 0.217601 0.062546 0.271830 0.452502 0.106895 -0.133756 11H 1pz -0.169976 -0.184464 -0.305727 -0.494126 -0.112723 0.126409 11H 1px -0.097329 -0.134485 -0.293236 -0.490491 -0.127768 0.120467 11H 1py 0.019097 0.085726 0.282423 0.481010 0.100878 -0.132508 12H 1s -0.044582 0.032793 0.368001 0.671669 0.096369 -0.251008 12H 2s 0.010275 0.035584 0.937075 1.708971 0.250963 -0.643278 12H 3s 0.082815 -0.024055 -0.207801 -0.391703 -0.084891 0.171784 12H 1pz -0.054512 -0.043194 -0.127663 -0.228481 -0.028965 0.079841 12H 1px -0.006946 0.005184 0.138816 0.255971 0.024110 -0.106211 12H 1py -0.029826 0.006127 0.404824 0.749447 0.121907 -0.281521 13H 1s 0.050074 0.004874 0.051420 0.015618 -0.042057 0.045017 13H 2s -0.033652 0.092839 0.112359 -0.011116 -0.054957 0.102109 13H 3s -0.024395 0.057056 -0.009908 -0.004653 0.041967 0.005515 13H 1pz -0.017764 0.056590 0.022617 -0.040485 0.057948 -0.059315 13H 1px -0.029609 0.010077 -0.049914 -0.029118 0.103735 -0.098031 13H 1py 0.014705 -0.027295 -0.028734 -0.041859 0.107449 -0.128706 14H 1s 0.039172 0.040491 -0.084019 -0.215122 0.453146 -0.580925 14H 2s 0.032815 0.038537 -0.226697 -0.549950 1.161707 -1.488286 14H 3s -0.058445 -0.011022 0.051377 0.091767 -0.250404 0.317613 14H 1pz 0.010008 0.017412 -0.052224 -0.147444 0.322928 -0.393552 14H 1px 0.030383 0.012124 -0.090861 -0.207209 0.423955 -0.568492 14H 1py -0.027212 0.030752 -0.019122 -0.063518 0.127882 -0.156369 15H 1s 0.150264 -0.176668 0.055419 0.252754 -0.571296 0.543855 15H 2s 0.378778 -0.498251 0.141002 0.608642 -1.436634 1.355829 15H 3s -0.181253 0.046153 -0.026315 -0.172468 0.384513 -0.393599 15H 1pz -0.069219 0.139128 -0.044076 -0.213687 0.485239 -0.468666 15H 1px 0.053708 -0.042568 -0.003087 0.023884 -0.062868 0.036035 15H 1py -0.181088 0.200601 -0.054297 -0.213622 0.487457 -0.455726 16H 1s 0.115018 -0.031433 0.007342 0.000493 0.003469 0.004353 16H 2s 0.272150 0.013373 0.001597 -0.041684 0.008423 -0.015031 16H 3s -0.006453 0.018365 0.001510 -0.010592 -0.001271 0.018857 16H 1pz 0.166550 -0.026764 0.001674 -0.015482 0.006761 0.000168 16H 1px -0.030621 -0.042447 -0.003201 0.010800 -0.008268 -0.014166 16H 1py 0.081843 -0.011093 0.001750 -0.005511 0.011907 -0.000340 17H 1s -0.110085 -0.058424 -0.009194 0.002774 -0.000521 -0.024205 17H 2s -0.170524 -0.046511 -0.003720 0.010518 -0.054093 -0.025573 17H 3s 0.004790 0.004170 -0.004792 -0.007530 -0.004622 -0.012516 17H 1pz 0.066331 0.059561 0.001582 -0.005002 0.006035 0.020175 17H 1px 0.099757 0.016665 0.002422 0.002613 0.009032 0.019233 17H 1py -0.091188 -0.039913 -0.004466 0.004684 -0.002243 -0.012366 18H 1s -0.108093 -0.057766 0.006359 0.008287 -0.002705 -0.024421 18H 2s -0.171079 -0.043595 0.000028 0.010299 0.049828 -0.032049 18H 3s 0.005434 0.003578 0.008033 -0.004262 0.002616 -0.013527 18H 1pz -0.068455 -0.059966 -0.000728 0.005379 0.003322 -0.020814 18H 1px -0.099888 -0.015714 0.004013 -0.000740 0.006270 -0.019977 18H 1py 0.087035 0.037649 -0.001684 -0.006755 -0.000383 0.011794 19H 1s 0.114575 -0.032091 -0.006684 -0.004099 -0.002736 0.004840 19H 2s 0.267248 0.013291 0.018570 -0.037013 -0.009510 -0.010903 19H 3s -0.006068 0.018154 0.004061 -0.009875 0.003647 0.017733 19H 1pz -0.162187 0.026967 -0.005681 0.014330 0.006179 -0.001808 19H 1px 0.031176 0.041887 0.002432 -0.011298 -0.006178 0.015533 19H 1py -0.085596 0.012511 -0.001169 0.006064 0.011793 -0.001770 20H 1s 0.148782 -0.176284 -0.168730 0.184728 0.655559 0.443893 20H 2s 0.376257 -0.497807 -0.411480 0.441266 1.648359 1.104938 20H 3s -0.179870 0.046812 0.104489 -0.132501 -0.444321 -0.324614 20H 1pz 0.068654 -0.138450 -0.140265 0.158049 0.559096 0.384478 20H 1px -0.054780 0.044127 0.010364 -0.024040 -0.074291 -0.027776 20H 1py 0.179341 -0.200671 -0.148336 0.151475 0.557316 0.370207 21H 1s 0.040421 0.039354 0.174446 -0.135194 -0.544696 -0.509098 21H 2s 0.041081 0.036200 0.455467 -0.338409 -1.395428 -1.304385 21H 3s -0.060307 -0.011250 -0.086421 0.048662 0.302530 0.279975 21H 1pz -0.012254 -0.016255 -0.116193 0.096719 0.388433 0.344794 21H 1px -0.033275 -0.011076 -0.175505 0.123534 0.511293 0.500672 21H 1py 0.027662 -0.031242 -0.047284 0.043590 0.153962 0.136819 22H 1s 0.049375 0.003140 -0.050929 -0.017487 0.046636 0.038782 22H 2s -0.036666 0.092550 -0.087961 -0.077341 0.067099 0.097545 22H 3s -0.023205 0.059121 0.010998 0.004089 -0.040242 0.013784 22H 1pz 0.018536 -0.056572 -0.001279 0.048581 0.069659 0.049655 22H 1px 0.028721 -0.010856 -0.055820 -0.005372 0.116236 0.080325 22H 1py -0.015777 0.028333 -0.044216 0.018693 0.126706 0.110988 23H 1s -0.048536 0.025991 -0.677163 0.377669 -0.129728 -0.224882 23H 2s 0.001936 0.017575 -1.722624 0.958924 -0.334610 -0.576441 23H 3s 0.089335 -0.021093 0.391977 -0.225571 0.107642 0.153146 23H 1pz 0.056455 0.042951 -0.236329 0.128600 -0.040106 -0.072788 23H 1px 0.007778 -0.002467 0.247468 -0.139501 0.036496 0.095502 23H 1py 0.034985 0.002956 0.753291 -0.426054 0.159051 0.251520 24H 1s -0.152136 -0.161712 0.728473 -0.363388 0.170798 0.139990 24H 2s -0.324429 -0.465960 1.828992 -0.913892 0.478929 0.364851 24H 3s 0.216393 0.061299 -0.472287 0.235682 -0.122248 -0.106067 24H 1pz 0.168729 0.180582 -0.524652 0.253704 -0.127173 -0.097606 24H 1px 0.096312 0.132298 -0.522893 0.263080 -0.143999 -0.091483 24H 1py -0.015315 -0.079569 0.490955 -0.252508 0.114804 0.105213 25H 1s -0.160097 -0.066008 0.052082 0.042805 -0.060868 0.017133 25H 2s -0.156526 -0.011822 0.101384 0.068120 -0.156337 0.062524 25H 3s 0.087941 0.131693 -0.037747 -0.057099 0.069425 0.009268 25H 1pz 0.011767 -0.025702 -0.146895 0.049861 0.009955 -0.047521 25H 1px -0.126249 -0.048869 0.030756 0.058590 -0.066873 0.014054 25H 1py -0.037839 -0.057782 0.143044 -0.074989 0.041720 0.032233 26O 1s -0.008484 -0.010592 -0.004701 -0.001063 0.002660 0.001590 26O 2s -0.028854 -0.036977 -0.019872 -0.006844 0.009894 0.007693 26O 3s 0.139373 0.335904 0.271386 0.154941 -0.096375 -0.116346 26O 4s 0.297272 -0.896353 -0.839411 -0.634392 0.230173 0.361422 26O 5s -0.128535 1.495413 -0.570642 -0.599957 -0.152937 0.645604 26O 1pz -0.075028 -0.086611 -0.021599 -0.003929 -0.002532 -0.014770 26O 1px -0.051664 -0.061885 -0.082170 -0.055672 0.024045 0.040734 26O 1py -0.059694 -0.075951 -0.021664 0.014931 0.019536 0.001197 26O 2pz 0.194400 0.313368 0.089540 0.019686 0.020731 0.050130 26O 2px -0.344893 0.159050 0.574378 0.513428 -0.091716 -0.299565 26O 2py -0.039892 0.238821 0.180966 0.062372 -0.068443 -0.050604 26O 3pz -0.562233 0.500407 -0.027338 -0.040009 -0.059125 0.127024 26O 3px -0.362100 -0.134034 0.253957 0.267947 0.068349 -0.133374 26O 3py -0.454163 0.248951 0.030196 0.045938 0.072462 0.034233 26O 1dz2 0.030439 0.006190 -0.003353 -0.004139 -0.009173 0.003501 26O 1dxz -0.004184 0.000832 -0.003505 -0.005335 0.003491 0.007476 26O 1dyz 0.016112 -0.000752 -0.008900 -0.007410 0.002340 -0.001919 26O 1dx2y2 -0.026583 -0.008904 0.006392 0.008115 -0.003219 -0.002467 26O 1dxy -0.023795 -0.007204 0.006620 0.011805 -0.002748 -0.005688 26O 2dz2 -0.127381 0.056844 0.108752 0.110906 -0.019051 -0.043592 26O 2dxz -0.188424 -0.112045 -0.016303 0.034933 0.006366 -0.020786 26O 2dyz -0.159330 0.000683 -0.019035 0.009399 0.002448 0.001357 26O 2dx2y2 0.170120 -0.005445 -0.151555 -0.166401 0.011886 0.080969 26O 2dxy -0.007321 -0.063079 -0.079494 -0.021792 0.019801 0.024977 26O 1f0 0.000293 0.015129 -0.007867 -0.018609 0.007571 0.009842 26O 1f+1 0.015206 -0.004817 0.039920 0.065488 0.006708 -0.028774 26O 1f-1 -0.027605 0.063491 0.019510 0.025525 0.012883 0.004783 26O 1f+2 0.022742 -0.009293 0.020889 0.041885 0.004251 -0.025675 26O 1f-2 -0.027024 -0.021436 -0.008398 -0.006958 0.004662 0.003289 26O 1f+3 0.005321 0.001065 -0.006374 -0.017530 -0.007131 0.003715 26O 1f-3 0.025414 0.003623 -0.018675 -0.042830 -0.012711 0.011795 27O 1s 0.007286 -0.007387 -0.000849 0.002265 -0.005556 0.004709 27O 2s 0.025445 -0.025555 -0.002107 0.011349 -0.024437 0.022608 27O 3s -0.151019 0.242435 -0.003224 -0.191017 0.365210 -0.360486 27O 4s -0.036920 -0.736221 0.073902 0.717871 -1.202142 1.254492 27O 5s -0.388981 1.350905 0.495445 0.427060 -0.906254 1.099131 27O 1pz 0.028968 -0.036551 -0.000725 -0.018183 0.022716 -0.041339 27O 1px 0.044047 -0.056795 0.027572 0.064684 -0.099662 0.106395 27O 1py -0.055675 0.074255 -0.017297 -0.022046 0.035485 -0.007624 27O 2pz -0.091091 0.128883 0.020772 0.092039 -0.130465 0.215493 27O 2px 0.279684 0.185650 -0.175257 -0.517595 0.840247 -0.902590 27O 2py 0.068564 -0.266378 0.069991 0.117960 -0.208925 0.091917 27O 3pz 0.098862 0.303735 0.059594 -0.006589 -0.122653 0.134232 27O 3px 0.376908 0.018305 -0.139392 -0.234033 0.413782 -0.430089 27O 3py -0.314614 -0.511868 -0.069666 0.031288 -0.001509 -0.029725 27O 1dz2 -0.014059 0.000681 -0.002231 0.007183 -0.008512 0.011921 27O 1dxz -0.004337 0.005128 0.003092 0.002718 -0.001593 0.005930 27O 1dyz 0.018323 0.004573 -0.001500 0.002989 0.010020 0.002820 27O 1dx2y2 0.032012 -0.006468 -0.001331 -0.010289 0.017416 -0.018357 27O 1dxy -0.000394 0.002177 -0.003589 -0.000599 0.004815 -0.008422 27O 2dz2 0.024532 0.010424 -0.023126 -0.063836 0.118981 -0.115418 27O 2dxz 0.102810 -0.003942 -0.023579 -0.068166 0.113102 -0.149475 27O 2dyz -0.043633 -0.056620 -0.000633 0.020829 -0.006216 0.015017 27O 2dx2y2 -0.131036 -0.063891 0.039148 0.148829 -0.243520 0.265449 27O 2dxy -0.098041 0.063532 -0.013837 -0.019712 0.070567 -0.013279 27O 1f0 -0.004752 -0.033906 -0.000006 0.003358 -0.001191 -0.008757 27O 1f+1 -0.015060 -0.013886 0.005478 0.021492 -0.043032 0.043872 27O 1f-1 0.003464 -0.027244 -0.007268 -0.002813 0.003695 -0.019360 27O 1f+2 -0.016882 -0.044812 -0.004751 -0.004616 0.000950 -0.027180 27O 1f-2 -0.024026 0.006347 -0.000646 -0.000741 0.008166 -0.017878 27O 1f+3 -0.006152 0.020019 -0.002772 -0.031682 0.057239 -0.065664 27O 1f-3 0.004640 -0.020848 -0.003245 -0.006855 0.003216 -0.021062 28O 1s -0.009431 -0.009986 -0.000993 0.003855 0.001302 -0.002951 28O 2s -0.030481 -0.031932 -0.004971 0.011561 0.002610 -0.010307 28O 3s 0.127943 0.238837 0.086370 -0.049842 0.025979 0.097490 28O 4s 0.328730 -0.586044 -0.254723 -0.017311 -0.223883 -0.289036 28O 5s -0.217039 1.510471 -0.077311 -0.167009 -0.527610 0.232763 28O 1pz -0.064064 -0.068976 0.005208 0.035977 -0.029861 -0.034231 28O 1px 0.044942 0.032451 0.011196 -0.012736 0.022532 0.023169 28O 1py -0.022152 -0.039935 -0.023489 -0.031235 -0.012140 0.010709 28O 2pz -0.227691 0.085630 0.078308 0.022708 0.212366 0.103654 28O 2px 0.285599 0.024586 -0.118424 -0.078532 -0.212943 -0.100130 28O 2py -0.031081 0.093155 0.109825 0.158899 0.050711 -0.050967 28O 3pz -0.646214 0.430073 0.111203 0.004766 0.004163 0.093197 28O 3px 0.106231 0.334598 -0.029240 -0.033091 -0.164144 0.012804 28O 3py -0.377551 0.357064 -0.003446 -0.100696 -0.024012 0.143181 28O 1dz2 -0.008920 -0.013792 0.000326 0.002433 -0.004019 -0.004504 28O 1dxz 0.045181 0.019919 -0.014634 -0.024319 -0.007785 0.005063 28O 1dyz 0.005292 -0.009921 0.004216 0.012209 0.001609 -0.002815 28O 1dx2y2 -0.016304 -0.006179 -0.007325 -0.008191 -0.001725 0.004570 28O 1dxy 0.018657 0.004146 -0.009241 -0.011853 0.002947 0.004646 28O 2dz2 -0.065722 0.041492 -0.012533 0.005778 0.002084 0.019890 28O 2dxz -0.149964 -0.009976 0.060538 0.046442 0.069987 0.019840 28O 2dyz -0.082269 0.062530 -0.038660 -0.048946 -0.003478 0.038997 28O 2dx2y2 0.128779 -0.001386 -0.029976 -0.019603 -0.052369 -0.031069 28O 2dxy -0.021863 0.008569 0.036872 0.055830 0.011405 -0.018523 28O 1f0 0.008452 -0.010536 -0.010112 -0.014795 0.003328 0.009418 28O 1f+1 -0.016333 -0.009469 -0.009802 -0.031223 -0.009226 0.003791 28O 1f-1 -0.056605 0.017366 -0.000037 -0.000032 0.007645 0.007432 28O 1f+2 -0.009173 -0.022056 -0.032935 -0.053019 -0.005482 0.009345 28O 1f-2 -0.022779 0.030112 0.021821 0.022122 -0.002353 -0.007635 28O 1f+3 -0.031976 0.009079 0.031311 0.058766 0.004524 -0.015991 28O 1f-3 -0.011696 -0.021355 0.012484 0.026596 0.001497 -0.013811 29O 1s 0.001280 -0.005716 -0.000470 0.000389 -0.001813 -0.002048 29O 2s 0.004269 -0.018778 -0.001564 0.001459 -0.006264 -0.006672 29O 3s -0.029360 0.130462 0.012961 -0.014918 0.057478 0.049558 29O 4s 0.047597 -0.116594 -0.025451 0.023880 -0.139129 -0.069810 29O 5s -0.130317 0.004650 0.039765 0.028622 0.225376 0.071081 29O 1pz -0.081661 0.033894 -0.002476 -0.001684 0.001036 -0.001668 29O 1px -0.013236 -0.125911 -0.005261 0.010816 -0.007084 -0.036192 29O 1py 0.000196 0.000997 0.000268 0.007821 0.000939 0.006851 29O 2pz 0.380109 -0.067862 0.006436 -0.009728 0.008283 0.014810 29O 2px 0.083992 0.318087 0.012934 -0.026252 0.023940 0.098414 29O 2py -0.005805 -0.036653 -0.002232 -0.021818 0.000845 -0.025786 29O 3pz 0.043451 0.027652 0.014711 -0.025378 0.042244 -0.002124 29O 3px 0.041240 -0.019877 -0.005250 -0.002516 -0.044913 -0.030805 29O 3py 0.021027 0.017323 -0.005323 0.005851 -0.041352 -0.008773 29O 1dz2 0.000814 0.003827 0.002024 -0.000732 0.002507 0.003199 29O 1dxz -0.005382 0.002864 -0.003783 0.000650 -0.001520 -0.001353 29O 1dyz -0.008756 0.001975 -0.002514 0.000336 -0.003988 -0.000423 29O 1dx2y2 -0.002042 -0.015814 -0.002383 0.000829 -0.003329 -0.006251 29O 1dxy -0.006439 -0.009533 -0.003156 0.002284 0.003891 0.000418 29O 2dz2 -0.103794 0.040713 0.000007 0.005706 -0.004990 0.007864 29O 2dxz 0.065367 0.064319 0.000824 -0.003026 0.002516 0.016408 29O 2dyz -0.172281 -0.002605 -0.007258 0.008184 -0.012110 -0.013192 29O 2dx2y2 0.032016 -0.076029 -0.002557 0.001876 -0.003373 -0.018907 29O 2dxy -0.066614 -0.070322 -0.006057 0.007510 -0.003077 -0.018217 29O 1f0 -0.006993 -0.003633 0.000425 0.001411 -0.004362 -0.000963 29O 1f+1 -0.019298 0.003079 0.002696 0.001701 0.003472 0.002533 29O 1f-1 -0.021173 0.008956 -0.001537 0.001553 0.001687 0.001709 29O 1f+2 0.008404 0.019626 -0.002691 -0.001269 0.002017 0.008851 29O 1f-2 0.027855 0.014849 0.003934 -0.001534 -0.002368 0.005776 29O 1f+3 -0.012289 0.031569 0.002899 -0.001590 0.003714 0.010027 29O 1f-3 -0.006863 -0.001813 0.002926 -0.002027 -0.008777 -0.005422 30O 1s 0.008648 -0.008545 -0.001544 -0.004969 -0.001154 -0.007186 30O 2s 0.030364 -0.028838 -0.005142 -0.018982 -0.007843 -0.024919 30O 3s -0.209139 0.264876 0.044185 0.192558 0.173743 0.213189 30O 4s 0.197313 -0.813713 -0.119454 -0.465122 -0.605932 -0.510932 30O 5s -0.311239 1.295125 0.273066 -0.249974 -0.306862 0.028616 30O 1pz 0.042868 -0.059923 0.000995 -0.025089 -0.038810 -0.013193 30O 1px -0.013815 0.014664 0.004606 0.054478 0.008176 0.068853 30O 1py -0.063979 0.065859 0.002350 0.030369 0.005635 0.060083 30O 2pz 0.063199 0.193883 -0.007448 0.094455 0.308964 -0.004664 30O 2px -0.150778 -0.067267 -0.025022 -0.242532 -0.226118 -0.253004 30O 2py -0.024361 -0.209417 0.006875 -0.114315 -0.220510 -0.131073 30O 3pz 0.257554 0.266959 -0.070611 -0.011894 0.020170 0.224911 30O 3px -0.071724 0.329902 0.072980 -0.052087 -0.114274 -0.003408 30O 3py -0.302096 -0.484293 -0.003954 -0.006739 -0.107337 -0.182976 30O 1dz2 0.002519 0.003858 -0.006517 -0.008240 0.012624 -0.015482 30O 1dxz -0.021697 0.008488 -0.005527 -0.003642 -0.008902 0.005888 30O 1dyz -0.004475 0.011457 0.005664 0.002638 -0.015845 0.018775 30O 1dx2y2 0.005615 0.007488 -0.000709 0.005406 -0.006599 0.014639 30O 1dxy 0.035745 -0.005640 -0.005654 -0.009477 0.022069 -0.019499 30O 2dz2 0.013445 -0.017573 0.004504 0.031461 -0.005502 0.052410 30O 2dxz 0.069067 0.061498 -0.008804 0.030245 0.111802 0.018426 30O 2dyz -0.043849 -0.033393 -0.011960 0.021797 0.108266 -0.043189 30O 2dx2y2 -0.100741 -0.042062 -0.018175 -0.022993 -0.008140 -0.063688 30O 2dxy -0.031855 -0.064861 -0.006077 -0.049235 -0.099368 -0.040488 30O 1f0 -0.027261 -0.029976 0.005350 0.027532 -0.038078 0.043704 30O 1f+1 0.009519 -0.011596 -0.002754 -0.013940 0.027706 -0.041706 30O 1f-1 -0.002803 -0.002273 -0.003407 0.010058 -0.019451 0.020822 30O 1f+2 -0.014235 -0.021143 -0.000243 -0.003439 0.003249 -0.021987 30O 1f-2 0.002652 -0.034968 0.005719 0.015013 -0.052666 0.044335 30O 1f+3 0.034633 0.002021 -0.006890 -0.004636 -0.002629 0.000168 30O 1f-3 0.001398 0.018174 -0.001467 -0.012068 0.005279 -0.012329 31O 1s 0.008710 -0.008590 0.003744 -0.003390 0.000195 -0.007434 31O 2s 0.030629 -0.028928 0.013698 -0.013324 0.004562 -0.026548 31O 3s -0.212406 0.263966 -0.133116 0.138640 -0.146416 0.248774 31O 4s 0.209590 -0.807893 0.334892 -0.323783 0.542747 -0.636337 31O 5s -0.322638 1.298525 -0.109606 -0.348931 0.315875 -0.037684 31O 1pz -0.043581 0.060230 -0.011847 0.020721 -0.038266 0.020562 31O 1px 0.014139 -0.014909 0.030737 -0.042930 -0.000466 -0.071017 31O 1py 0.064278 -0.066468 0.016584 -0.023580 -0.002592 -0.062231 31O 2pz -0.060803 -0.191722 0.042684 -0.079110 0.315143 -0.056178 31O 2px 0.147212 0.064388 -0.142333 0.186687 -0.195718 0.302104 31O 2py 0.024036 0.207953 -0.051413 0.096904 -0.203319 0.178684 31O 3pz -0.257181 -0.267787 -0.067069 -0.031038 -0.011449 -0.228075 31O 3px 0.075334 -0.331203 0.037056 0.079929 -0.116147 0.028382 31O 3py 0.295376 0.482542 -0.007334 0.003833 -0.084470 0.202843 31O 1dz2 0.002747 0.003873 0.009561 -0.003274 -0.014823 -0.013467 31O 1dxz -0.021579 0.008880 0.006650 0.000117 0.009639 0.003688 31O 1dyz -0.004384 0.011699 -0.005782 -0.000974 0.018676 0.016101 31O 1dx2y2 0.005575 0.007754 -0.001921 0.004806 0.008282 0.013236 31O 1dxy 0.036156 -0.005885 0.009207 -0.004708 -0.024653 -0.015341 31O 2dz2 0.013379 -0.017826 -0.019270 0.023944 0.013472 0.052691 31O 2dxz 0.068250 0.060314 -0.008148 0.029437 -0.110910 0.040194 31O 2dyz -0.043160 -0.034584 -0.000899 0.024916 -0.114670 -0.022061 31O 2dx2y2 -0.099524 -0.041705 0.026910 -0.008234 0.000491 -0.066295 31O 2dxy -0.030572 -0.063098 0.030140 -0.037505 0.094208 -0.061255 31O 1f0 0.027544 0.029478 0.017702 -0.020421 -0.044189 -0.036893 31O 1f+1 -0.009464 0.011786 -0.009099 0.010438 0.034186 0.036980 31O 1f-1 0.002715 0.002141 0.002006 -0.010665 -0.023022 -0.017436 31O 1f+2 0.014371 0.021139 -0.002207 0.002740 0.006551 0.021673 31O 1f-2 -0.002420 0.034611 0.011957 -0.009362 -0.059461 -0.035287 31O 1f+3 -0.035085 -0.001845 -0.007870 -0.000476 -0.003864 -0.000087 31O 1f-3 -0.001460 -0.018247 -0.007231 0.009308 0.007124 0.011814 32O 1s 0.001368 -0.005661 0.000238 0.000604 0.001508 -0.002346 32O 2s 0.004553 -0.018597 0.000715 0.002150 0.005260 -0.007712 32O 3s -0.031676 0.129063 -0.004555 -0.020250 -0.049812 0.059491 32O 4s 0.051312 -0.113595 0.011642 0.035149 0.127483 -0.094522 32O 5s -0.131690 -0.002100 -0.050332 0.001636 -0.213053 0.108047 32O 1pz 0.081412 -0.033686 -0.003131 -0.000221 0.001252 0.001771 32O 1px 0.011268 0.125484 0.000676 -0.012510 -0.002159 0.036999 32O 1py 0.001136 -0.000595 0.003955 -0.006567 0.000042 -0.006693 32O 2pz -0.377715 0.067316 0.001912 0.012830 0.005979 -0.017066 32O 2px -0.078715 -0.316660 -0.001069 0.030395 0.010422 -0.100832 32O 2py -0.001975 0.034846 -0.012602 0.017689 0.004387 0.023807 32O 3pz -0.042228 -0.026067 0.000344 0.029430 0.042278 -0.005852 32O 3px -0.041658 0.018348 -0.005878 -0.002029 -0.040463 0.038271 32O 3py -0.020989 -0.018538 -0.002114 -0.006477 -0.038862 0.014321 32O 1dz2 0.000638 0.003699 -0.001378 -0.001888 -0.002202 0.003660 32O 1dxz -0.005398 0.003095 0.002903 0.002699 0.001240 -0.001780 32O 1dyz -0.008775 0.001847 0.001979 0.001722 0.003796 -0.001258 32O 1dx2y2 -0.001572 -0.015635 0.001601 0.001973 0.002332 -0.006876 32O 1dxy -0.006078 -0.009595 0.001645 0.004004 -0.003764 0.000863 32O 2dz2 -0.096637 0.041498 -0.002686 0.004506 0.005434 0.007404 32O 2dxz 0.067651 0.064765 0.000520 -0.003567 -0.000517 0.016834 32O 2dyz -0.173431 -0.001556 0.002597 0.011711 0.010228 -0.015402 32O 2dx2y2 0.036355 -0.075123 0.001253 0.002620 0.000486 -0.018725 32O 2dxy -0.062487 -0.069384 0.001769 0.010081 0.000507 -0.018198 32O 1f0 0.005867 0.003945 0.001079 -0.000769 -0.004213 0.001778 32O 1f+1 0.020069 -0.002664 0.002927 0.000024 0.003195 -0.003100 32O 1f-1 0.021263 -0.009593 -0.000576 -0.002339 0.001253 -0.002315 32O 1f+2 -0.008461 -0.018851 -0.002778 -0.000397 0.000685 -0.008663 32O 1f-2 -0.027236 -0.014065 0.002639 0.003703 -0.003056 -0.005326 32O 1f+3 0.011457 -0.032041 0.001802 0.003130 0.002305 -0.011305 32O 1f-3 0.007296 0.001478 0.001575 0.003685 -0.007938 0.006947 33O 1s -0.009664 -0.010114 -0.000932 0.003871 -0.001677 -0.002712 33O 2s -0.031075 -0.032232 -0.001083 0.012815 -0.003981 -0.009880 33O 3s 0.127856 0.237785 -0.050994 -0.094698 -0.011321 0.104265 33O 4s 0.341946 -0.575237 0.226471 0.140324 0.176535 -0.335436 33O 5s -0.205006 1.525585 0.143191 -0.092908 0.553066 0.136760 33O 1pz 0.064307 0.069256 0.022747 -0.028564 -0.024490 0.038921 33O 1px -0.045681 -0.032627 0.004904 0.017116 0.019160 -0.026819 33O 1py 0.022191 0.039797 -0.037195 0.013795 -0.013706 -0.008081 33O 2pz 0.236676 -0.077756 0.071218 0.032623 0.191900 -0.143871 33O 2px -0.295405 -0.032805 -0.142244 -0.003802 -0.194582 0.140083 33O 2py 0.033192 -0.090446 0.177393 -0.073822 0.057290 0.038830 33O 3pz 0.656126 -0.428643 0.101025 0.061429 -0.007528 -0.094783 33O 3px -0.112551 -0.340191 -0.037904 0.009121 -0.163874 0.017155 33O 3py 0.382006 -0.358339 -0.055350 0.085662 -0.043210 -0.139470 33O 1dz2 -0.009461 -0.014065 -0.000412 0.001190 0.003641 -0.004946 33O 1dxz 0.046220 0.020875 0.024143 -0.012078 0.008078 0.002873 33O 1dyz 0.004819 -0.010273 -0.009774 0.008208 -0.001896 -0.002395 33O 1dx2y2 -0.016511 -0.006190 0.010648 -0.003055 0.002419 0.003879 33O 1dxy 0.019213 0.004638 0.013441 -0.004432 -0.002464 0.004720 33O 2dz2 -0.065067 0.042424 0.004870 0.013846 0.000290 0.018923 33O 2dxz -0.156761 -0.014779 -0.072540 0.001993 -0.065014 0.034488 33O 2dyz -0.082263 0.063658 0.058043 -0.019179 0.008782 0.036453 33O 2dx2y2 0.132688 0.001155 0.035275 0.001138 0.046994 -0.041214 33O 2dxy -0.023448 0.007252 -0.060585 0.026869 -0.013902 -0.015046 33O 1f0 -0.008859 0.010338 -0.016691 0.007004 0.001855 -0.009659 33O 1f+1 0.016734 0.009537 -0.026549 0.022514 -0.009863 -0.002471 33O 1f-1 0.057646 -0.016518 -0.002387 0.001007 0.006123 -0.009213 33O 1f+2 0.008622 0.021374 -0.056563 0.027085 -0.006569 -0.007629 33O 1f-2 0.023107 -0.029461 0.029116 -0.005776 -0.001617 0.006997 33O 1f+3 0.032668 -0.008263 0.057258 -0.032609 0.006396 0.014236 33O 1f-3 0.012193 0.021717 0.024958 -0.015978 0.003372 0.013163 34O 1s 0.007263 -0.007403 -0.000416 0.002253 0.006057 0.003621 34O 2s 0.025269 -0.025568 -0.003869 0.010233 0.026917 0.017830 34O 3s -0.147545 0.241033 0.096720 -0.153333 -0.406341 -0.289289 34O 4s -0.051042 -0.728197 -0.412597 0.547539 1.348853 1.022142 34O 5s -0.396002 1.356614 -0.630442 0.081310 1.040711 0.927428 34O 1pz -0.028901 0.036814 -0.009765 0.014639 0.028805 0.037700 34O 1px -0.041827 0.057126 0.055493 -0.037634 -0.111918 -0.087693 34O 1py 0.054375 -0.075022 -0.025700 0.008638 0.036269 0.001641 34O 2pz 0.092608 -0.130379 0.062962 -0.064537 -0.161154 -0.193848 34O 2px -0.291318 -0.180531 -0.401292 0.329203 0.947265 0.742167 34O 2py -0.064826 0.268439 0.117581 -0.059091 -0.219300 -0.054215 34O 3pz -0.101751 -0.305256 0.046903 0.036866 -0.139702 -0.111021 34O 3px -0.380003 -0.012714 -0.229772 0.119706 0.465344 0.350702 34O 3py 0.315190 0.509163 -0.045660 -0.068413 0.003275 0.031820 34O 1dz2 -0.013952 0.000896 -0.001709 0.007609 0.010051 0.010173 34O 1dxz -0.004520 0.005129 -0.004013 0.000354 0.002210 0.005758 34O 1dyz 0.018017 0.004428 -0.000244 0.003186 -0.009671 0.004797 34O 1dx2y2 0.032064 -0.006722 0.006047 -0.007665 -0.019736 -0.014963 34O 1dxy -0.000414 0.002116 0.003236 0.001479 -0.006092 -0.007795 34O 2dz2 0.026196 0.009630 0.050644 -0.039000 -0.131513 -0.091753 34O 2dxz 0.103946 -0.005514 0.052538 -0.044215 -0.133954 -0.129739 34O 2dyz -0.044536 -0.056401 -0.009325 0.017874 0.008295 0.014248 34O 2dx2y2 -0.134299 -0.061237 -0.105361 0.101405 0.275550 0.218786 34O 2dxy -0.097615 0.064583 0.022066 -0.008587 -0.071202 0.000208 34O 1f0 0.004706 0.033886 0.001505 -0.002728 0.000713 0.009442 34O 1f+1 0.014932 0.013600 0.014818 -0.015485 -0.050435 -0.036921 34O 1f-1 -0.003687 0.027046 -0.007332 -0.002107 0.006608 0.019172 34O 1f+2 0.016555 0.044867 -0.006296 0.000864 0.004379 0.027224 34O 1f-2 0.023905 -0.006512 -0.000977 0.000255 0.011542 0.017266 34O 1f+3 0.006005 -0.019838 -0.017697 0.025265 0.066969 0.055529 34O 1f-3 -0.004759 0.021261 -0.005849 0.003842 0.005598 0.020217 35O 1s -0.008604 -0.010634 0.004494 0.001953 -0.002444 0.001777 35O 2s -0.029177 -0.037036 0.020073 0.006274 -0.008895 0.008234 35O 3s 0.138290 0.333292 -0.302300 -0.033794 0.082581 -0.116756 35O 4s 0.311663 -0.880523 1.006064 -0.027231 -0.190485 0.350648 35O 5s -0.098057 1.513999 0.758900 -0.156703 0.231825 0.580966 35O 1pz 0.077275 0.087568 -0.021386 -0.009163 -0.000386 0.015750 35O 1px 0.052200 0.061513 -0.096264 -0.002545 0.019198 -0.040253 35O 1py 0.061634 0.076859 -0.009486 -0.027412 0.019562 -0.003162 35O 2pz -0.200463 -0.316421 0.089574 0.035359 0.013141 -0.056571 35O 2px 0.359972 -0.145886 0.727481 -0.086697 -0.058523 0.281142 35O 2py 0.040312 -0.237989 0.174670 0.063558 -0.064443 0.050626 35O 3pz 0.556219 -0.500123 -0.040211 0.015857 -0.075884 -0.112373 35O 3px 0.372690 0.144521 0.339892 -0.072123 0.081316 0.107513 35O 3py 0.454949 -0.245031 0.046581 -0.018062 0.063728 -0.049713 35O 1dz2 0.031115 0.006589 0.004430 -0.001129 0.009276 0.001416 35O 1dxz -0.004245 0.000896 0.005655 -0.002468 -0.002424 0.007864 35O 1dyz 0.016768 -0.000490 0.011265 -0.001061 -0.002596 -0.001805 35O 1dx2y2 -0.027177 -0.009238 -0.008991 0.002976 0.002973 -0.002593 35O 1dxy -0.024166 -0.007406 -0.011523 0.006230 0.001988 -0.005805 35O 2dz2 -0.130212 0.053665 -0.145179 0.028694 0.014599 -0.040930 35O 2dxz -0.191682 -0.114512 -0.000333 0.038373 -0.008387 -0.019674 35O 2dyz -0.160313 -0.000598 0.013549 0.018602 -0.001784 0.001362 35O 2dx2y2 0.176639 0.000070 0.207955 -0.050590 -0.002860 0.074378 35O 2dxy -0.006175 -0.062195 0.073685 0.033253 -0.018091 0.022663 35O 1f0 -0.000780 -0.015527 -0.015243 0.011024 0.006426 -0.010732 35O 1f+1 -0.015203 0.005332 0.069148 -0.033932 0.010435 0.026249 35O 1f-1 0.027860 -0.063192 0.030439 -0.010851 0.011921 -0.007566 35O 1f+2 -0.022867 0.009753 0.040023 -0.024451 0.007676 0.024166 35O 1f-2 0.027731 0.021782 -0.012647 0.002054 0.003958 -0.004326 35O 1f+3 -0.005115 -0.000967 -0.016244 0.012266 -0.007705 -0.002740 35O 1f-3 -0.026404 -0.004416 -0.038878 0.026912 -0.014215 -0.009285 594 595 596 597 598 599 4.44825 4.45098 4.45230 4.46316 4.46843 4.47887 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s 0.000599 -0.000474 -0.000656 -0.000530 0.001155 -0.000422 0Rh 2s -0.006056 0.004058 0.006202 0.003415 -0.010072 0.003476 0Rh 3s -0.000036 -0.000408 -0.000217 -0.001133 0.000888 -0.000447 0Rh 4s 0.034505 -0.023281 -0.035262 -0.020023 0.057587 -0.019980 0Rh 5s -0.085703 0.056263 0.084821 0.046962 -0.137618 0.047663 0Rh 6s 0.102098 -0.060527 -0.088396 -0.045108 0.140407 -0.047914 0Rh 7s -0.185925 0.094896 0.144214 0.052619 -0.242136 0.100882 0Rh 8s -0.064111 -0.057092 0.009383 -0.010927 -0.045911 -0.026453 0Rh 1pz 0.001918 -0.008085 -0.000676 0.000153 0.000471 -0.003789 0Rh 1px 0.000188 -0.002117 0.003785 -0.004111 -0.003073 0.000361 0Rh 1py -0.009604 -0.002980 -0.002654 -0.002456 -0.001823 -0.004754 0Rh 2pz -0.007661 0.032550 0.002585 -0.000305 -0.001990 0.015203 0Rh 2px -0.000883 0.008497 -0.015185 0.016547 0.012382 -0.001460 0Rh 2py 0.038612 0.011980 0.010790 0.009836 0.007004 0.019184 0Rh 3pz 0.019441 -0.088197 -0.003965 -0.007095 0.007762 -0.040898 0Rh 3px 0.004511 -0.022502 0.041554 -0.046532 -0.034736 0.004381 0Rh 3py -0.103994 -0.032154 -0.033231 -0.026419 -0.010978 -0.055306 0Rh 4pz -0.010063 0.068340 -0.009425 0.043955 -0.017595 0.035906 0Rh 4px -0.008112 0.015771 -0.043419 0.054123 0.038246 -0.006318 0Rh 4py 0.081301 0.023993 0.051699 0.025171 -0.027325 0.070509 0Rh 5pz -0.025829 0.058193 0.038851 -0.122467 0.035687 0.002509 0Rh 5px -0.000563 0.016606 0.031620 -0.052385 -0.029134 0.004764 0Rh 5py 0.058623 0.024362 -0.076736 -0.009951 0.120967 -0.078842 0Rh 6pz 0.087078 -0.355492 -0.103971 0.405681 -0.250244 -0.067540 0Rh 6px 0.009948 0.013502 -0.205547 0.228117 0.285086 0.068155 0Rh 6py -0.360769 -0.205243 0.152708 -0.042910 -0.508736 0.188993 0Rh 1dz2 0.003282 -0.010254 -0.000415 -0.016658 0.006425 0.004058 0Rh 1dxz 0.003482 0.011552 0.002784 0.014256 -0.001304 0.002809 0Rh 1dyz -0.005374 -0.002728 -0.011015 -0.005754 0.019455 0.005168 0Rh 1dx2y2 -0.012776 0.003849 -0.009097 0.010302 0.006232 -0.000485 0Rh 1dxy 0.007666 0.004217 0.010451 0.004016 -0.007555 0.003561 0Rh 2dz2 0.000726 -0.001337 -0.000026 -0.001388 0.000319 0.001036 0Rh 2dxz 0.000473 0.001847 -0.000199 0.002544 -0.000348 0.000874 0Rh 2dyz 0.000474 -0.000385 -0.001552 -0.000282 0.001396 0.002269 0Rh 2dx2y2 -0.001595 0.000324 -0.000630 0.000192 0.000646 -0.000496 0Rh 2dxy 0.002012 0.000441 0.000813 0.000037 -0.001813 0.003618 0Rh 3dz2 -0.016895 0.048309 0.002104 0.075015 -0.027918 -0.021756 0Rh 3dxz -0.016556 -0.055980 -0.010640 -0.070361 0.006948 -0.015649 0Rh 3dyz 0.019752 0.013087 0.053230 0.025311 -0.086708 -0.032299 0Rh 3dx2y2 0.059949 -0.017309 0.040529 -0.043241 -0.028709 0.004234 0Rh 3dxy -0.040839 -0.019317 -0.046523 -0.016640 0.039349 -0.031822 0Rh 4dz2 0.031115 -0.081707 -0.005301 -0.119249 0.043567 0.042031 0Rh 4dxz 0.027992 0.096599 0.016010 0.117961 -0.011648 0.029548 0Rh 4dyz -0.023773 -0.022753 -0.093862 -0.042636 0.139130 0.070251 0Rh 4dx2y2 -0.100541 0.028222 -0.065524 0.063823 0.046532 -0.008722 0Rh 4dxy 0.076422 0.031760 0.071415 0.024380 -0.064866 0.076513 0Rh 5dz2 -0.063194 0.140017 -0.031264 0.079822 -0.059468 -0.071891 0Rh 5dxz -0.031359 -0.178104 -0.032097 -0.066330 -0.004812 -0.042846 0Rh 5dyz 0.007995 0.022015 -0.003462 0.046370 -0.188989 -0.166367 0Rh 5dx2y2 0.155505 -0.054078 0.051323 -0.040673 -0.036665 -0.006656 0Rh 5dxy -0.175148 -0.066128 -0.088367 -0.031852 -0.041450 -0.140176 0Rh 1f0 -0.014105 0.001294 0.001327 -0.007196 -0.016399 0.006287 0Rh 1f+1 0.000160 -0.006031 0.010095 0.009514 -0.001480 0.001406 0Rh 1f-1 -0.012919 -0.022619 -0.004852 0.016467 -0.021028 0.002002 0Rh 1f+2 -0.011255 0.014398 -0.000060 -0.020613 -0.003054 0.004399 0Rh 1f-2 -0.009826 -0.003604 0.028715 0.005595 -0.010680 0.006654 0Rh 1f+3 0.008513 -0.008940 -0.008913 0.012205 0.009711 -0.001190 0Rh 1f-3 -0.008536 -0.002132 -0.008488 -0.005784 -0.009482 -0.008933 1Rh 1s 0.000677 -0.000499 0.000595 0.000555 -0.001166 -0.000443 1Rh 2s -0.006799 0.004350 -0.005544 -0.003688 0.010160 0.003675 1Rh 3s -0.000013 -0.000386 0.000242 0.001121 -0.000903 -0.000455 1Rh 4s 0.038727 -0.024927 0.031520 0.021579 -0.058094 -0.021111 1Rh 5s -0.095879 0.060310 -0.075440 -0.050921 0.138812 0.050361 1Rh 6s 0.112781 -0.065054 0.076873 0.050230 -0.141527 -0.050577 1Rh 7s -0.202088 0.101678 -0.121780 -0.064364 0.245005 0.105634 1Rh 8s -0.063764 -0.054113 -0.000213 0.012848 0.044296 -0.026022 1Rh 1pz -0.001974 0.008078 -0.000624 -0.000204 0.000620 0.003779 1Rh 1px 0.000209 0.001935 0.003666 -0.004128 -0.003091 -0.000560 1Rh 1py 0.009371 0.002752 -0.003597 -0.002530 -0.001495 0.004915 1Rh 2pz 0.007870 -0.032507 0.002387 0.001126 -0.002588 -0.015159 1Rh 2px -0.000710 -0.007769 -0.014727 0.016626 0.012453 0.002258 1Rh 2py -0.037653 -0.011061 0.014580 0.010134 0.005683 -0.019819 1Rh 3pz -0.019621 0.087747 -0.003659 -0.010825 0.009392 0.040755 1Rh 3px -0.000161 0.020555 0.040613 -0.046876 -0.034951 -0.006483 1Rh 3py 0.100798 0.029511 -0.043312 -0.027203 -0.007371 0.056742 1Rh 4pz 0.008528 -0.066373 -0.008906 0.046280 -0.019129 -0.035733 1Rh 4px 0.003576 -0.013908 -0.043276 0.054697 0.038504 0.008084 1Rh 4py -0.075460 -0.020686 0.058829 0.025652 -0.030781 -0.070493 1Rh 5pz 0.031052 -0.063295 0.037038 -0.118580 0.035965 -0.002456 1Rh 5px 0.003749 -0.017415 0.032049 -0.052357 -0.029163 -0.004982 1Rh 5py -0.068499 -0.027942 -0.068279 -0.008952 0.121877 0.074632 1Rh 6pz -0.102806 0.372144 -0.105776 0.390508 -0.248190 0.065278 1Rh 6px -0.024206 -0.013795 -0.203268 0.227741 0.282980 -0.058931 1Rh 6py 0.381337 0.214907 0.106612 -0.048209 -0.509008 -0.163592 1Rh 1dz2 0.003132 -0.009272 0.000341 0.017397 -0.006408 0.004099 1Rh 1dxz 0.003189 0.010781 -0.003718 -0.014264 0.001447 0.002960 1Rh 1dyz -0.003982 -0.002188 0.011641 0.005871 -0.019280 0.005258 1Rh 1dx2y2 -0.011462 0.003445 0.010552 -0.011008 -0.006325 -0.000589 1Rh 1dxy 0.006236 0.003929 -0.011148 -0.004205 0.007744 0.003309 1Rh 2dz2 0.000693 -0.001262 -0.000002 0.001470 -0.000292 0.001020 1Rh 2dxz 0.000498 0.001731 0.000061 -0.002551 0.000386 0.000874 1Rh 2dyz 0.000627 -0.000337 0.001557 0.000316 -0.001258 0.002288 1Rh 2dx2y2 -0.001500 0.000322 0.000804 -0.000265 -0.000662 -0.000487 1Rh 2dxy 0.001864 0.000415 -0.000949 -0.000035 0.001963 0.003561 1Rh 3dz2 -0.016149 0.043916 -0.001666 -0.078444 0.027714 -0.021855 1Rh 3dxz -0.015458 -0.052281 0.015125 0.070422 -0.007710 -0.016279 1Rh 3dyz 0.013257 0.010613 -0.055830 -0.025950 0.085323 -0.032748 1Rh 3dx2y2 0.054088 -0.015645 -0.047328 0.046490 0.029164 0.004630 1Rh 3dxy -0.034297 -0.018027 0.050012 0.017406 -0.040841 -0.030526 1Rh 4dz2 0.029946 -0.074708 0.004396 0.124975 -0.042963 0.042115 1Rh 4dxz 0.026341 0.090508 -0.023675 -0.118132 0.013049 0.030514 1Rh 4dyz -0.012827 -0.018540 0.097647 0.043869 -0.135777 0.070932 1Rh 4dx2y2 -0.091139 0.025810 0.076900 -0.069194 -0.047260 -0.009415 1Rh 4dxy 0.066127 0.029791 -0.077703 -0.025484 0.068338 0.074412 1Rh 5dz2 -0.058726 0.135701 0.033745 -0.088565 0.057743 -0.073160 1Rh 5dxz -0.027509 -0.174038 0.042943 0.069193 0.002775 -0.044021 1Rh 5dyz 0.006424 0.020585 0.000069 -0.047931 0.181121 -0.167293 1Rh 5dx2y2 0.147693 -0.051641 -0.068239 0.048275 0.037086 -0.003601 1Rh 5dxy -0.164862 -0.063480 0.104549 0.033738 0.033870 -0.141975 1Rh 1f0 0.014520 -0.001575 -0.000145 -0.007188 -0.016295 -0.005668 1Rh 1f+1 0.000693 0.006714 0.009772 0.009436 -0.001539 -0.001469 1Rh 1f-1 0.012644 0.023323 -0.006849 0.015622 -0.020872 -0.001396 1Rh 1f+2 0.011535 -0.015311 -0.000961 -0.019908 -0.003128 -0.004021 1Rh 1f-2 0.012724 0.004669 0.027571 0.005544 -0.010873 -0.006418 1Rh 1f+3 -0.009657 0.009293 -0.008429 0.011964 0.009639 0.000757 1Rh 1f-3 0.008035 0.001705 -0.009384 -0.005622 -0.009127 0.009393 2C 1s 0.000447 0.002010 0.002416 -0.008326 0.010399 -0.001409 2C 2s 0.000465 -0.001307 0.004647 -0.011244 0.016919 0.003964 2C 3s -0.000941 0.131233 -0.001346 0.080600 -0.071506 -0.196455 2C 4s 0.021591 -0.175505 -0.124142 -0.610314 0.153904 0.240162 2C 5s 0.386294 1.584325 0.511319 -1.662402 1.667823 -1.485284 2C 1pz -0.005276 0.005148 -0.020709 0.057817 -0.058725 -0.033635 2C 1px -0.003435 -0.018582 -0.001698 0.050477 -0.024892 0.022931 2C 1py -0.008753 -0.005326 -0.008704 0.033623 -0.055175 -0.009596 2C 2pz 0.006740 0.554800 0.183134 -1.757822 1.394803 -0.418235 2C 2px -0.464516 -0.454034 -0.955521 -1.498612 -0.030828 -1.363656 2C 2py 0.114931 0.498730 0.160492 -1.569804 1.318524 -0.693780 2C 3pz 0.129786 0.250128 0.097517 -0.100362 0.121553 -0.201481 2C 3px 0.037968 0.053725 0.217401 0.044948 0.221597 0.197135 2C 3py 0.020056 0.103668 0.016775 0.028547 0.032997 -0.055262 2C 1dz2 -0.024851 0.013489 -0.017275 -0.236765 0.147528 -0.135054 2C 1dxz 0.113628 0.194525 0.197220 0.049932 0.183474 0.171105 2C 1dyz -0.062861 0.012519 -0.093747 -0.344608 0.138342 -0.236036 2C 1dx2y2 -0.025629 -0.055955 -0.081587 -0.019863 -0.087954 -0.103991 2C 1dxy 0.018324 0.057254 0.030054 0.065376 0.001713 0.081057 2C 2dz2 0.009368 0.129303 0.067889 -0.539544 0.320692 -0.187557 2C 2dxz 0.251014 0.445708 0.511186 0.081974 0.381426 0.289983 2C 2dyz -0.137139 -0.010053 -0.251927 -1.021259 0.527359 -0.563487 2C 2dx2y2 -0.131335 -0.245656 -0.259338 -0.312448 -0.150297 -0.336999 2C 2dxy -0.016778 0.044277 0.015998 -0.051075 0.097209 0.103679 2C 1f0 -0.067825 -0.158828 -0.115367 -0.143305 -0.111798 -0.174990 2C 1f+1 -0.019476 0.001754 -0.054891 0.005214 -0.080700 -0.046181 2C 1f-1 0.021182 -0.000875 0.072077 0.026115 0.060768 0.138535 2C 1f+2 0.105424 0.253710 0.218799 -0.081066 0.262031 0.058918 2C 1f-2 0.107443 0.062737 0.163808 0.379311 -0.122877 0.322037 2C 1f+3 0.039521 0.198154 0.097381 -0.335997 0.323625 -0.149260 2C 1f-3 -0.122277 -0.149617 -0.236580 -0.206778 -0.071653 -0.271509 3C 1s -0.002787 0.001660 0.002035 -0.007986 -0.009417 0.002788 3C 2s -0.003517 0.002394 0.001274 -0.011763 -0.016447 -0.001769 3C 3s -0.026161 0.011812 -0.028808 0.012295 0.177071 0.203492 3C 4s 0.071206 -0.020683 0.378698 -0.039488 -0.624731 -0.334398 3C 5s -1.338772 0.426924 0.295759 -1.366412 -1.623403 1.911752 3C 1pz 0.008388 -0.006168 0.003150 0.026514 0.027291 0.018945 3C 1px 0.024876 -0.010701 -0.023579 0.033431 0.048932 -0.026908 3C 1py -0.019227 0.008752 0.010915 -0.035927 -0.093753 -0.020595 3C 2pz -0.902359 0.513054 -0.252165 -0.953244 -1.190216 0.057596 3C 2px 0.380337 0.001325 1.753830 -0.749647 -0.962788 1.405822 3C 2py 0.047852 -0.038728 -0.982548 0.975016 1.535922 -0.700133 3C 3pz -0.016517 -0.039560 0.075470 0.032178 0.096939 0.206507 3C 3px -0.101465 -0.025815 -0.230963 -0.049695 -0.087910 -0.104636 3C 3py 0.298427 -0.112952 0.096792 0.135337 0.201713 -0.234546 3C 1dz2 0.033584 -0.009686 0.033350 0.012010 0.008632 0.017131 3C 1dxz -0.095317 0.014284 -0.196424 0.004740 -0.008334 -0.165499 3C 1dyz -0.172410 0.062880 -0.355717 0.097295 0.126153 -0.263365 3C 1dx2y2 0.079605 -0.066679 -0.077608 0.183001 0.236589 -0.102749 3C 1dxy 0.155809 -0.072506 0.056621 0.111583 0.140429 0.006662 3C 2dz2 0.038824 -0.001209 -0.028688 0.052204 0.228547 0.000983 3C 2dxz -0.272914 0.045357 -0.557678 0.014662 0.062919 -0.391721 3C 2dyz -0.406606 0.142686 -0.945733 0.378900 0.468679 -0.564507 3C 2dx2y2 0.353404 -0.230099 0.048761 0.315615 0.520710 -0.124976 3C 2dxy 0.306714 -0.171820 -0.000512 0.340842 0.482429 -0.138394 3C 1f0 0.214450 -0.126354 0.027665 0.218021 0.323230 -0.051983 3C 1f+1 0.259908 -0.101766 0.299534 0.058426 0.114966 0.162007 3C 1f-1 -0.154593 0.076418 -0.228351 0.090379 0.041349 -0.139347 3C 1f+2 -0.090081 0.049626 0.138566 -0.210081 -0.195600 0.252413 3C 1f-2 -0.097443 0.054968 0.008992 -0.156220 -0.186341 0.088171 3C 1f+3 -0.037291 -0.012355 -0.134634 0.061062 0.068481 -0.115200 3C 1f-3 -0.256882 0.064807 -0.431928 0.049695 0.085147 -0.310522 4C 1s -0.001489 -0.003715 0.001571 -0.015105 0.016628 0.005740 4C 2s -0.002755 -0.011383 0.003896 -0.017653 0.025988 0.019319 4C 3s -0.040629 0.115508 -0.016990 -1.312602 1.055631 -0.263226 4C 4s 0.201115 -0.311435 -0.167562 6.767340 -5.888447 0.656773 4C 5s -0.221531 -0.803771 -0.486889 0.891378 -1.214489 0.357489 4C 1pz -0.001469 -0.053030 -0.010115 0.146779 -0.115502 0.052920 4C 1px -0.012179 -0.041451 -0.006537 0.034191 -0.033923 0.011436 4C 1py -0.002599 -0.041952 -0.012905 0.097563 -0.070323 0.029498 4C 2pz 0.604943 2.264756 0.470515 -0.705898 0.393887 -1.025044 4C 2px -1.818792 -5.485589 -1.683644 0.350297 -1.061360 0.943209 4C 2py -0.304403 -0.680232 -0.264161 -0.300236 -0.229925 -0.223853 4C 3pz 0.241398 0.595782 0.206067 0.110556 0.196690 -0.438844 4C 3px -0.063713 -0.222530 -0.082454 0.058640 -0.042322 -0.146381 4C 3py 0.130859 0.317854 0.203939 -0.016387 0.051929 -0.333192 4C 1dz2 0.081635 0.240308 0.034465 -0.097758 0.112849 -0.104221 4C 1dxz -0.096646 -0.353262 -0.007585 0.029490 0.088518 0.203052 4C 1dyz 0.003221 0.020854 -0.025142 0.072538 -0.111014 -0.040506 4C 1dx2y2 -0.013899 -0.021724 -0.013447 0.214108 -0.195675 -0.019791 4C 1dxy -0.055188 -0.277857 -0.032236 0.230494 -0.168845 0.119166 4C 2dz2 0.278157 0.774186 0.385913 0.116504 0.101844 0.164614 4C 2dxz -0.565446 -1.702978 -0.531806 -0.349912 0.036461 0.290340 4C 2dyz 0.051564 -0.133524 0.052568 0.918929 -0.517742 0.350042 4C 2dx2y2 0.073638 0.059327 -0.015747 0.571688 -0.699453 -0.127543 4C 2dxy -0.430375 -1.184267 -0.421522 0.463663 -0.652908 0.164172 4C 1f0 0.006301 0.050594 0.011166 -0.025538 0.128792 0.088213 4C 1f+1 -0.106923 -0.179845 -0.154142 -0.335180 0.163902 -0.185126 4C 1f-1 0.078489 0.279467 0.087780 -0.230195 0.226581 -0.090802 4C 1f+2 0.087984 0.201945 0.043227 0.239062 -0.185974 -0.053787 4C 1f-2 -0.180534 -0.364389 -0.192100 -0.231234 -0.014918 -0.148849 4C 1f+3 0.014770 0.174850 0.015986 -0.094228 0.022422 -0.150290 4C 1f-3 0.070805 0.300761 0.079727 -0.246069 0.195152 -0.109330 5C 1s -0.000663 0.000521 0.006491 -0.011259 -0.019148 -0.004145 5C 2s -0.000892 0.000567 0.005335 -0.016187 -0.030182 -0.015983 5C 3s -0.018332 0.014046 0.729466 -0.808543 -1.191331 0.326256 5C 4s 0.240120 -0.131507 -3.538524 4.376502 6.619019 -1.117941 5C 5s 0.760583 -0.093491 -0.159537 0.856608 1.071897 -0.603916 5C 1pz 0.012905 -0.009755 -0.037780 0.046521 0.068162 -0.029249 5C 1px 0.040778 -0.016462 -0.020448 0.033696 0.057481 -0.019651 5C 1py -0.038221 0.026002 0.062636 -0.100070 -0.123988 0.058817 5C 2pz -1.863137 0.633969 -0.328468 -0.357165 -0.318510 1.049414 5C 2px 5.162211 -1.420659 1.370189 1.056840 0.510361 -2.039264 5C 2py 1.133522 -0.469521 -0.054512 0.342618 0.244702 -1.021099 5C 3pz -0.481543 0.151086 -0.284413 -0.060721 -0.215949 0.407846 5C 3px 0.029754 0.033589 -0.061950 0.038201 -0.035514 0.239765 5C 3py 0.629915 -0.162791 0.397068 0.175854 0.063358 -0.660735 5C 1dz2 -0.101817 0.017185 0.113035 -0.115735 -0.203729 0.095893 5C 1dxz 0.171730 -0.037240 0.016780 -0.027704 -0.091185 -0.147593 5C 1dyz 0.121242 -0.018153 0.008724 -0.065915 -0.131619 -0.141542 5C 1dx2y2 0.246642 -0.076237 -0.083396 0.208617 0.218941 -0.144431 5C 1dxy -0.313583 0.107454 0.038870 -0.068400 -0.046952 0.244335 5C 2dz2 -0.484904 0.145412 0.152659 -0.517297 -0.505709 0.208587 5C 2dxz 0.842725 -0.316488 0.516976 -0.131883 -0.296163 -0.279618 5C 2dyz 0.645431 -0.163328 0.779247 -0.400909 -0.803697 0.094578 5C 2dx2y2 0.848237 -0.207890 0.191304 0.382103 0.578052 -0.072313 5C 2dxy -1.530383 0.423200 -0.369179 -0.340435 -0.190663 0.720081 5C 1f0 0.243052 -0.065351 0.006297 0.077158 0.057324 -0.186144 5C 1f+1 -0.230421 0.052728 0.045948 -0.139981 -0.199031 0.169835 5C 1f-1 0.266630 -0.103647 0.173147 0.026722 0.065858 0.024761 5C 1f+2 0.069840 -0.041562 0.043115 0.071886 0.140263 0.076755 5C 1f-2 -0.444064 0.125489 -0.355426 0.101027 0.241144 0.002109 5C 1f+3 0.004138 0.008971 0.301825 -0.223341 -0.263859 0.270999 5C 1f-3 0.106469 -0.013164 -0.020586 0.140765 0.140210 0.031352 6C 1s -0.001779 0.000677 -0.006361 0.011142 0.019045 -0.005427 6C 2s -0.002151 0.000832 -0.005244 0.015928 0.029729 -0.018537 6C 3s -0.123741 0.024025 -0.714336 0.808776 1.204258 0.276296 6C 4s 0.769307 -0.188821 3.452891 -4.366665 -6.663330 -0.803453 6C 5s 0.803530 -0.113228 0.069191 -0.846381 -1.074052 -0.552700 6C 1pz -0.018713 0.010459 -0.035966 0.045897 0.068865 0.027527 6C 1px -0.044267 0.017124 -0.016464 0.032772 0.057800 0.018609 6C 1py 0.048167 -0.028088 0.057953 -0.098428 -0.125099 -0.055668 6C 2pz 1.835892 -0.657570 -0.501852 -0.317989 -0.321046 -1.072447 6C 2px -5.042558 1.505690 1.865583 0.958951 0.498505 2.019497 6C 2py -1.143024 0.483321 0.050439 0.317334 0.256246 1.063969 6C 3pz 0.457741 -0.157348 -0.334750 -0.049942 -0.223725 -0.394466 6C 3px -0.039822 -0.030399 -0.062478 0.040399 -0.041793 -0.242087 6C 3py -0.594810 0.178255 0.464485 0.165152 0.079819 0.653389 6C 1dz2 -0.118924 0.018936 -0.099368 0.114207 0.205706 0.087118 6C 1dxz 0.165864 -0.037288 -0.033981 0.030414 0.090187 -0.156792 6C 1dyz 0.117444 -0.017876 -0.021824 0.066387 0.129077 -0.153604 6C 1dx2y2 0.260269 -0.082124 0.056801 -0.202774 -0.219911 -0.133895 6C 1dxy -0.317039 0.109749 -0.007973 0.062103 0.049826 0.248701 6C 2dz2 -0.517223 0.161946 -0.103387 0.507992 0.507926 0.182264 6C 2dxz 0.783030 -0.325864 -0.587017 0.151194 0.301796 -0.306544 6C 2dyz 0.547590 -0.170411 -0.830791 0.413830 0.817490 0.070056 6C 2dx2y2 0.842566 -0.224846 -0.272531 -0.363875 -0.568983 -0.026296 6C 2dxy -1.500291 0.448810 0.516638 0.312143 0.189350 0.726021 6C 1f0 -0.243505 0.068741 0.031259 0.072668 0.058835 0.188641 6C 1f+1 0.239092 -0.056792 0.020612 -0.135494 -0.200436 -0.161769 6C 1f-1 -0.249488 0.107528 0.194046 0.019280 0.060933 -0.030447 6C 1f+2 -0.070461 0.044367 0.046985 0.069504 0.138072 -0.085373 6C 1f-2 0.403349 -0.131622 -0.392702 0.109879 0.248171 -0.009428 6C 1f+3 0.032238 -0.010519 0.295379 -0.223315 -0.272397 -0.266731 6C 1f-3 -0.116223 0.019125 -0.009949 0.140487 0.140852 -0.042254 7C 1s -0.001539 -0.003116 -0.001232 0.015138 -0.016441 0.006168 7C 2s -0.002949 -0.010868 -0.003025 0.017916 -0.025323 0.020044 7C 3s -0.033203 0.180494 0.010778 1.302755 -1.066791 -0.238788 7C 4s 0.183981 -0.630614 0.179862 -6.723059 5.917582 0.514833 7C 5s -0.184435 -0.837681 0.533935 -0.849080 1.211961 0.321708 7C 1pz 0.001253 0.059812 -0.011728 0.143103 -0.116435 -0.050369 7C 1px 0.011907 0.043089 -0.008905 0.032319 -0.033806 -0.010664 7C 1py 0.001732 0.046985 -0.014421 0.095987 -0.071667 -0.028584 7C 2pz -0.557846 -2.286702 0.592673 -0.601907 0.416168 1.019315 7C 2px 1.658876 5.455748 -2.017958 0.117473 -1.041269 -0.912175 7C 2py 0.282520 0.655339 -0.318498 -0.329858 -0.209477 0.241138 7C 3pz -0.228132 -0.582578 0.250727 0.141319 0.206934 0.434840 7C 3px 0.056611 0.227800 -0.094606 0.052190 -0.036532 0.147252 7C 3py -0.113259 -0.309139 0.226563 0.004898 0.058234 0.335697 7C 1dz2 0.078883 0.242870 -0.049100 0.087774 -0.113680 -0.100663 7C 1dxz -0.093566 -0.355284 0.029123 -0.014103 -0.083452 0.204846 7C 1dyz 0.005142 0.019579 0.021976 -0.073248 0.109855 -0.043244 7C 1dx2y2 -0.013580 -0.031401 0.017078 -0.211734 0.194299 -0.024705 7C 1dxy -0.052849 -0.288812 0.047033 -0.216182 0.170825 0.114252 7C 2dz2 0.239628 0.752515 -0.429341 -0.146319 -0.086570 0.167543 7C 2dxz -0.514738 -1.670187 0.634278 0.423952 -0.043491 0.287607 7C 2dyz 0.045347 -0.178919 -0.050603 -0.909697 0.533282 0.341579 7C 2dx2y2 0.069497 0.034717 0.009159 -0.568123 0.694479 -0.151501 7C 2dxy -0.393021 -1.196739 0.498312 -0.414815 0.646765 0.150164 7C 1f0 -0.006729 -0.052288 0.015552 -0.023975 0.126387 -0.092918 7C 1f+1 0.090641 0.156448 -0.163443 -0.340175 0.173657 0.179703 7C 1f-1 -0.071119 -0.288582 0.103433 -0.217249 0.228030 0.086060 7C 1f+2 -0.083132 -0.189633 0.059027 0.249708 -0.186918 0.054858 7C 1f-2 0.162769 0.348843 -0.218059 -0.242504 -0.005731 0.148505 7C 1f+3 -0.013012 -0.178190 0.022500 -0.084694 0.026782 0.148778 7C 1f-3 -0.063333 -0.308389 0.095769 -0.232113 0.195384 0.104498 8C 1s -0.003219 0.001845 -0.001714 0.007867 0.009472 0.002316 8C 2s -0.003961 0.002631 -0.000962 0.011538 0.016337 -0.002859 8C 3s -0.020995 0.014160 0.034123 -0.011862 -0.170635 0.219193 8C 4s 0.021948 -0.031585 -0.390916 0.040999 0.613334 -0.360305 8C 5s -1.415439 0.463700 -0.138818 1.342131 1.666219 1.867028 8C 1pz -0.008639 0.006906 0.003425 0.025991 0.026494 -0.021476 8C 1px -0.028102 0.011148 -0.020999 0.032924 0.049556 0.025149 8C 1py 0.022180 -0.008904 0.009342 -0.035066 -0.092534 0.026232 8C 2pz 0.896205 -0.542669 -0.321183 -0.915083 -1.171170 -0.000319 8C 2px -0.197712 0.015112 1.760170 -0.752686 -1.006148 -1.419679 8C 2py -0.197367 0.050481 -0.959466 0.980302 1.564591 0.665070 8C 3pz 0.024727 0.040943 0.069047 0.027229 0.088703 -0.216694 8C 3px 0.084572 0.018702 -0.239836 -0.051695 -0.086961 0.118406 8C 3py -0.290803 0.117458 0.126800 0.126602 0.201938 0.224754 8C 1dz2 0.030338 -0.010706 -0.032151 -0.012119 -0.008807 0.015308 8C 1dxz -0.078372 0.017857 0.199007 -0.005697 0.003489 -0.171275 8C 1dyz -0.132163 0.066138 0.365157 -0.103934 -0.138978 -0.271112 8C 1dx2y2 0.090006 -0.069323 0.068393 -0.176958 -0.235790 -0.093542 8C 1dxy 0.155167 -0.077830 -0.071729 -0.106876 -0.138400 0.016100 8C 2dz2 0.044850 0.000154 0.035401 -0.054503 -0.231604 0.002499 8C 2dxz -0.221084 0.055432 0.566589 -0.018029 -0.076367 -0.400812 8C 2dyz -0.296072 0.147508 0.969915 -0.395156 -0.497805 -0.573711 8C 2dx2y2 0.351469 -0.235200 -0.080455 -0.295726 -0.510880 -0.101328 8C 2dxy 0.319910 -0.183076 -0.034496 -0.329353 -0.481055 -0.114755 8C 1f0 -0.218171 0.132464 0.050049 0.208715 0.319826 0.034247 8C 1f+1 -0.228946 0.106357 0.319276 0.044631 0.098752 -0.180526 8C 1f-1 0.127154 -0.077033 -0.238448 0.096575 0.049239 0.144295 8C 1f+2 0.111529 -0.055204 0.124232 -0.207582 -0.202467 -0.251056 8C 1f-2 0.102723 -0.059114 0.003713 -0.155864 -0.191063 -0.085759 8C 1f+3 0.024363 0.010981 -0.128127 0.056500 0.067094 0.109414 8C 1f-3 0.215350 -0.072621 -0.447773 0.054077 0.096617 0.321148 9C 1s 0.000284 0.002271 -0.002528 0.008190 -0.010345 -0.001134 9C 2s 0.000116 -0.001096 -0.004553 0.011189 -0.016664 0.004434 9C 3s -0.000525 0.129026 -0.006113 -0.084419 0.068356 -0.197909 9C 4s 0.031114 -0.141779 0.135918 0.611091 -0.162795 0.237536 9C 5s 0.352918 1.653113 -0.609827 1.578750 -1.700625 -1.448958 9C 1pz 0.003363 -0.003543 -0.020199 0.056982 -0.057309 0.034784 9C 1px 0.003137 0.020907 -0.002758 0.049359 -0.025801 -0.022341 9C 1py 0.008455 0.006306 -0.009229 0.033642 -0.055255 0.011209 9C 2pz 0.003665 -0.643740 0.214208 -1.725828 1.417611 0.387669 9C 2px 0.382361 0.349278 -0.986219 -1.502566 0.031792 1.359682 9C 2py -0.105630 -0.552647 0.163686 -1.540401 1.325279 0.673896 9C 3pz -0.121287 -0.249441 0.115812 -0.084671 0.120471 0.199642 9C 3px -0.022407 -0.043500 0.217988 0.047032 0.213009 -0.202469 9C 3py -0.020135 -0.106287 0.028620 0.030195 0.042202 0.052788 9C 1dz2 -0.022778 0.022913 0.021283 0.232723 -0.148875 -0.132603 9C 1dxz 0.097562 0.184108 -0.208980 -0.060983 -0.171336 0.177091 9C 1dyz -0.053050 0.034857 0.093280 0.342527 -0.150871 -0.232201 9C 1dx2y2 -0.017905 -0.053580 0.084494 0.018940 0.084800 -0.105006 9C 1dxy 0.014405 0.055190 -0.032911 -0.059479 -0.001537 0.075551 9C 2dz2 0.000774 0.145212 -0.063561 0.527356 -0.317108 -0.185463 9C 2dxz 0.208805 0.421418 -0.536344 -0.113238 -0.355638 0.305275 9C 2dyz -0.108885 0.052758 0.249566 1.016325 -0.558121 -0.548303 9C 2dx2y2 -0.107245 -0.224915 0.273639 0.313115 0.137992 -0.338152 9C 2dxy -0.021975 0.048774 -0.014479 0.070144 -0.102343 0.090229 9C 1f0 0.057525 0.151652 -0.127978 -0.142259 -0.107878 0.176139 9C 1f+1 0.017432 -0.000679 -0.058234 -0.000820 -0.079079 0.054662 9C 1f-1 -0.013347 0.004963 0.069001 0.020248 0.058458 -0.135308 9C 1f+2 -0.084688 -0.250761 0.227846 -0.082814 0.259447 -0.054166 9C 1f-2 -0.092965 -0.041460 0.171309 0.379106 -0.132687 -0.319058 9C 1f+3 -0.035583 -0.211540 0.111313 -0.312653 0.320927 0.131961 9C 1f-3 0.100844 0.123263 -0.242982 -0.227693 -0.044650 0.281283 10H 1s 0.173855 0.391579 0.347202 -0.000493 0.368490 0.192837 10H 2s 0.333200 0.561847 0.812628 0.442411 0.619991 0.758796 10H 3s -0.052046 -0.225127 -0.259291 0.194332 -0.449128 -0.057872 10H 1pz 0.072342 0.136770 0.179688 0.074258 0.167554 0.163468 10H 1px -0.149656 -0.295094 -0.341995 -0.039162 -0.362469 -0.256309 10H 1py 0.028777 0.042161 0.068664 0.032529 0.054994 0.046241 11H 1s -0.105573 -0.023604 -0.191899 -0.374478 0.091766 -0.305381 11H 2s -0.352894 -0.308953 -0.543889 -0.751011 0.066899 -0.619508 11H 3s 0.073699 -0.104722 0.138383 0.390097 -0.133553 0.342991 11H 1pz -0.078115 -0.022703 -0.103084 -0.221452 0.059087 -0.170780 11H 1px -0.120094 -0.087979 -0.202042 -0.328170 0.038539 -0.282229 11H 1py 0.065396 0.036188 0.111904 0.150988 -0.020869 0.138756 12H 1s -0.035668 0.070610 -0.061577 -0.495648 0.241585 -0.366662 12H 2s -0.100601 0.004716 -0.199786 -1.061334 0.517319 -0.834947 12H 3s -0.050927 -0.212366 0.017479 0.503004 -0.305500 0.412666 12H 1pz 0.012733 -0.001150 0.020617 0.135520 -0.052568 0.088541 12H 1px -0.053582 -0.033446 -0.104738 -0.306185 0.108511 -0.242614 12H 1py -0.022913 0.074351 -0.045078 -0.476976 0.275555 -0.364226 13H 1s -0.403846 0.158981 -0.364746 -0.190322 -0.229073 -0.117952 13H 2s -0.698331 0.280901 -1.092989 -0.214882 -0.240523 -0.656122 13H 3s 0.242095 -0.074768 0.167544 0.269991 0.359025 -0.008672 13H 1pz -0.248313 0.110550 -0.307185 -0.123950 -0.142605 -0.156453 13H 1px 0.271947 -0.103111 0.304503 0.138931 0.177231 0.163802 13H 1py 0.070546 -0.025656 0.149344 0.030758 0.020582 0.095978 14H 1s -0.047794 0.083543 0.343039 -0.293266 -0.363211 0.386457 14H 2s -0.065858 0.205872 0.819519 -0.659519 -0.746824 0.864584 14H 3s 0.179790 -0.149333 -0.298000 0.339583 0.388260 -0.433625 14H 1pz -0.102827 0.080602 0.111744 -0.180487 -0.196693 0.191760 14H 1px -0.001887 0.072945 0.424735 -0.317120 -0.363139 0.424684 14H 1py -0.018406 0.021548 0.042954 -0.049497 -0.077541 0.043844 15H 1s 0.207522 -0.094094 0.393381 -0.110973 -0.103018 0.291875 15H 2s 0.673854 -0.341146 0.930562 -0.121305 -0.097021 0.558874 15H 3s -0.063505 0.066442 -0.333231 0.138144 0.139697 -0.359566 15H 1pz -0.220862 0.103484 -0.331734 0.053997 0.027823 -0.221657 15H 1px 0.084146 -0.029607 0.169366 -0.037264 -0.049045 0.122058 15H 1py -0.176862 0.092966 -0.292201 0.067177 0.074325 -0.218392 16H 1s -0.006667 0.030821 -0.012530 0.004907 -0.005155 -0.013553 16H 2s 0.039329 0.103003 0.065645 0.062867 0.021373 0.041976 16H 3s 0.015034 0.048263 0.038315 -0.010989 0.011629 0.008569 16H 1pz 0.012950 0.071016 0.018137 0.010844 0.007046 0.004221 16H 1px -0.014364 -0.029414 -0.010215 -0.005385 -0.010158 -0.002681 16H 1py 0.006887 0.019484 -0.001460 0.008900 0.008866 -0.011534 17H 1s 0.020299 -0.030423 0.002725 -0.011016 0.018886 -0.000997 17H 2s 0.052089 0.039336 -0.007291 -0.029764 -0.022774 0.043535 17H 3s 0.039613 -0.038468 -0.021019 -0.014865 -0.014330 -0.007754 17H 1pz -0.018056 0.006671 0.001596 0.000293 -0.004448 -0.008345 17H 1px -0.048209 0.017105 0.004486 0.013486 -0.004606 -0.003119 17H 1py 0.018786 -0.006850 -0.005485 -0.016421 0.010442 -0.002719 18H 1s 0.019964 -0.031141 -0.002885 0.011963 -0.018054 -0.000866 18H 2s 0.046522 0.048792 -0.001209 0.032662 0.023220 0.043043 18H 3s 0.040704 -0.039010 0.017971 0.016295 0.014183 -0.007391 18H 1pz 0.018036 -0.005758 0.000076 0.001640 -0.004203 0.008601 18H 1px 0.046793 -0.015163 -0.000011 0.015612 -0.004181 0.003719 18H 1py -0.017491 0.005564 -0.003869 -0.016663 0.009743 0.002719 19H 1s -0.004445 0.030315 0.012429 -0.006575 0.004848 -0.013408 19H 2s 0.028222 0.105131 -0.076076 -0.062809 -0.018355 0.045492 19H 3s 0.013179 0.046987 -0.041530 0.008944 -0.011022 0.009709 19H 1pz -0.010187 -0.070864 0.022256 0.012541 0.005871 -0.005790 19H 1px 0.013707 0.029741 -0.013105 -0.006232 -0.009735 0.003455 19H 1py -0.007645 -0.021207 0.000656 0.009841 0.009208 0.010712 20H 1s 0.160030 -0.096075 -0.405067 0.121558 0.119300 0.302734 20H 2s 0.566307 -0.351309 -0.976038 0.152645 0.136293 0.586885 20H 3s -0.021132 0.066941 0.331253 -0.146303 -0.155890 -0.369045 20H 1pz 0.182411 -0.106398 -0.345641 0.064289 0.041922 0.232545 20H 1px -0.067669 0.032720 0.177360 -0.040907 -0.055475 -0.127710 20H 1py 0.140798 -0.094904 -0.301494 0.076232 0.087465 0.225930 21H 1s -0.086249 0.084484 -0.330337 0.287329 0.370761 0.382347 21H 2s -0.149967 0.206216 -0.794721 0.643730 0.764529 0.853960 21H 3s 0.215275 -0.152944 0.274294 -0.329634 -0.396029 -0.427483 21H 1pz 0.115323 -0.083496 0.101285 -0.176122 -0.201051 -0.189375 21H 1px 0.046875 -0.072568 0.413943 -0.310555 -0.371231 -0.419881 21H 1py 0.023049 -0.021684 0.041905 -0.048178 -0.078252 -0.043234 22H 1s -0.375554 0.171940 0.395356 0.179095 0.219645 -0.136795 22H 2s -0.598479 0.307748 1.135423 0.191341 0.209048 -0.698255 22H 3s 0.235972 -0.086176 -0.189310 -0.263853 -0.356578 0.012996 22H 1pz 0.220204 -0.119113 -0.321566 -0.114458 -0.132696 0.170384 22H 1px -0.249076 0.113796 0.324765 0.131741 0.169474 -0.181509 22H 1py -0.059173 0.030446 0.154633 0.029417 0.017906 -0.102029 23H 1s -0.028053 0.093732 0.063042 0.483715 -0.248718 -0.359341 23H 2s -0.078889 0.047873 0.211014 1.039002 -0.532685 -0.815744 23H 3s -0.053574 -0.233662 -0.005429 -0.485901 0.311231 0.405071 23H 1pz -0.010916 0.007228 0.023481 0.135299 -0.054291 -0.089852 23H 1px 0.042916 0.018030 -0.107898 -0.296084 0.111742 0.233976 23H 1py 0.017251 -0.093072 -0.047476 -0.466971 0.282222 0.357640 24H 1s -0.088161 0.005841 0.191307 0.378793 -0.110233 -0.304851 24H 2s -0.305694 -0.243112 0.558936 0.775051 -0.111895 -0.622367 24H 3s 0.061417 -0.134141 -0.132159 -0.388701 0.152411 0.341828 24H 1pz 0.068665 0.004473 -0.102846 -0.223632 0.070435 0.169407 24H 1px 0.103502 0.062540 -0.208713 -0.338294 0.056795 0.285248 24H 1py -0.053884 -0.020977 0.109329 0.151154 -0.030591 -0.135189 25H 1s 0.144357 0.380704 -0.369118 -0.014463 -0.354700 0.200287 25H 2s 0.264003 0.511437 -0.842239 -0.460838 -0.576472 0.770617 25H 3s -0.033260 -0.225934 0.267209 -0.183829 0.442758 -0.067828 25H 1pz -0.057858 -0.128983 0.189693 0.078197 0.160226 -0.167835 25H 1px 0.120752 0.280804 -0.357180 -0.049693 -0.346086 0.263174 25H 1py -0.021896 -0.034528 0.066449 0.033875 0.047190 -0.044652 26O 1s 0.006720 0.019521 0.005837 -0.010236 0.015154 0.001965 26O 2s 0.027950 0.083771 0.023791 -0.045453 0.062068 0.002136 26O 3s -0.338266 -1.083840 -0.288267 0.643833 -0.780051 0.087705 26O 4s 0.958310 3.281108 0.849703 -1.837171 2.129610 -0.491521 26O 5s 0.768426 1.922544 0.958402 -1.197936 1.642633 0.020226 26O 1pz 0.002029 0.020693 0.029599 -0.054465 0.046206 -0.014155 26O 1px 0.123434 0.342009 0.140978 -0.154190 0.228486 0.006115 26O 1py 0.041460 0.133764 0.060379 -0.084015 0.126642 -0.011878 26O 2pz 0.012276 -0.076615 -0.067334 0.301794 -0.190780 0.127824 26O 2px -0.673567 -2.114489 -0.717539 1.150506 -1.388715 0.276805 26O 2py -0.235343 -0.815766 -0.272623 0.579614 -0.691335 0.202045 26O 3pz -0.056868 -0.189750 0.068732 0.007233 -0.113597 0.068163 26O 3px -0.339090 -0.993697 -0.316788 0.481208 -0.762427 0.084053 26O 3py -0.041297 -0.538225 -0.164796 0.302571 -0.231992 -0.002808 26O 1dz2 -0.012525 0.007494 0.002628 -0.032856 0.006434 -0.004710 26O 1dxz 0.011644 0.022260 0.020379 0.028591 -0.002295 0.025350 26O 1dyz 0.005631 -0.018756 0.002705 0.000994 0.021233 0.010308 26O 1dx2y2 -0.015860 -0.032957 -0.006195 0.012297 -0.014102 0.012924 26O 1dxy -0.001647 -0.016250 0.013942 0.022176 -0.010005 0.032766 26O 2dz2 -0.117889 -0.369785 -0.103144 0.196193 -0.244367 0.073004 26O 2dxz -0.004447 0.015808 -0.013335 -0.161175 0.080044 -0.095241 26O 2dyz 0.003642 -0.022667 -0.012037 -0.093654 0.072745 -0.032350 26O 2dx2y2 0.158197 0.469398 0.152461 -0.241485 0.300928 -0.052577 26O 2dxy 0.104584 0.410652 0.118673 -0.341336 0.341797 -0.102500 26O 1f0 0.008140 0.022117 0.002611 0.033374 0.002524 0.013089 26O 1f+1 -0.008701 -0.048091 -0.003105 0.019038 -0.020434 0.014478 26O 1f-1 0.022221 0.020154 0.032262 0.043017 -0.004289 0.030826 26O 1f+2 -0.016766 -0.024889 -0.024370 -0.055499 0.016188 -0.052769 26O 1f-2 -0.009656 -0.019573 -0.005631 0.002911 0.011730 0.010938 26O 1f+3 -0.024120 -0.048211 -0.019265 0.006383 -0.015480 -0.006911 26O 1f-3 -0.020994 -0.043396 -0.014843 0.033843 -0.037257 0.001652 27O 1s -0.021589 0.006985 -0.001749 -0.010444 -0.013991 0.003104 27O 2s -0.090300 0.028632 -0.003625 -0.044591 -0.058067 0.019653 27O 3s 1.121516 -0.343136 -0.031128 0.594700 0.743782 -0.371645 27O 4s -3.304265 0.968513 0.121885 -1.711547 -2.027370 1.350123 27O 5s -1.767936 0.419352 -0.108055 -1.199519 -1.396149 0.476973 27O 1pz 0.029855 -0.014254 0.025602 -0.014702 -0.001279 0.013736 27O 1px -0.373658 0.113619 -0.045036 -0.189704 -0.235664 0.091334 27O 1py 0.075140 -0.025797 0.001965 0.058399 0.096991 -0.030345 27O 2pz -0.212329 0.071281 -0.130144 0.025512 -0.033809 -0.034618 27O 2px 2.195757 -0.624705 0.001539 1.225519 1.424487 -0.896534 27O 2py -0.367720 0.102576 0.105192 -0.320894 -0.474942 0.264568 27O 3pz 0.061339 0.062188 -0.020134 -0.091129 0.097265 -0.055646 27O 3px 1.044046 -0.230265 -0.022961 0.563826 0.654549 -0.410334 27O 3py -0.298939 0.134911 0.066025 -0.212292 -0.064818 0.129536 27O 1dz2 -0.014331 0.017896 0.010908 -0.020662 0.005110 0.018681 27O 1dxz -0.022588 0.010456 -0.019093 -0.000295 -0.002450 -0.003611 27O 1dyz -0.024471 0.000605 -0.009899 0.014845 0.013360 0.010802 27O 1dx2y2 0.021586 0.002505 -0.015624 0.014545 0.025999 -0.026505 27O 1dxy 0.010382 -0.003106 0.040213 -0.006241 -0.015464 0.039020 27O 2dz2 0.343719 -0.084233 -0.044923 0.213075 0.281477 -0.172099 27O 2dxz 0.127566 -0.047494 0.080351 0.019343 0.017014 0.025927 27O 2dyz -0.039577 0.008097 -0.021070 0.010465 0.018897 0.018455 27O 2dx2y2 -0.577734 0.162639 0.020404 -0.328590 -0.360356 0.247665 27O 2dxy 0.165183 -0.057952 -0.114860 0.188159 0.246747 -0.158920 27O 1f0 -0.012414 0.007833 0.008922 -0.003046 -0.012807 0.004553 27O 1f+1 0.051320 -0.029050 0.001767 0.029081 0.045091 -0.018221 27O 1f-1 0.012704 -0.003939 0.032361 -0.030224 -0.008363 0.016078 27O 1f+2 0.064999 -0.022754 0.060610 -0.003695 -0.003630 0.021640 27O 1f-2 0.010228 0.003199 0.034495 -0.016242 -0.014719 0.041171 27O 1f+3 0.043159 -0.001283 -0.013284 0.018022 0.008064 -0.020912 27O 1f-3 0.008071 -0.003036 0.039500 -0.025198 -0.043556 0.026805 28O 1s -0.006747 -0.019477 -0.001538 -0.006716 0.007199 0.006672 28O 2s -0.028996 -0.085131 -0.008930 -0.026925 0.028723 0.028797 28O 3s 0.394217 1.135650 0.184095 0.389032 -0.364406 -0.333365 28O 4s -1.310748 -3.586424 -0.815541 -1.248453 0.963681 0.786375 28O 5s -0.576408 -2.168348 -0.728666 -0.920861 0.464518 0.618224 28O 1pz -0.069056 -0.221670 -0.047178 -0.088742 0.079149 0.095926 28O 1px 0.089577 0.300482 0.062067 0.063360 -0.064501 -0.089233 28O 1py -0.000108 -0.026884 -0.011004 -0.000571 0.031931 0.032002 28O 2pz 0.477780 1.454083 0.378100 0.614733 -0.476741 -0.465174 28O 2px -0.669745 -1.965524 -0.552618 -0.658430 0.447469 0.377680 28O 2py 0.024102 0.154325 0.042457 0.010720 -0.157268 -0.173522 28O 3pz 0.359604 0.678385 -0.000633 0.231347 -0.464104 -0.125160 28O 3px -0.262216 -0.879235 -0.218481 -0.415931 0.180627 0.168070 28O 3py -0.009496 0.068706 -0.175359 0.111893 -0.088025 0.073847 28O 1dz2 0.006160 -0.012065 -0.010276 -0.015508 -0.013069 -0.017808 28O 1dxz -0.000511 -0.022930 0.000360 -0.018788 0.011958 0.004927 28O 1dyz 0.002129 0.022715 -0.002602 -0.026666 0.016450 -0.014283 28O 1dx2y2 0.024001 0.035865 0.020924 0.002690 -0.008032 -0.005467 28O 1dxy 0.005837 0.021953 0.006385 -0.006600 0.023907 0.007373 28O 2dz2 0.034226 0.015859 0.055814 0.002917 0.062983 0.128822 28O 2dxz 0.215509 0.624343 0.141316 0.226736 -0.217356 -0.205525 28O 2dyz 0.030341 -0.005825 0.034145 0.005386 0.067542 0.104219 28O 2dx2y2 -0.149646 -0.438983 -0.129315 -0.193241 0.095836 0.022501 28O 2dxy -0.009656 0.056856 -0.021421 -0.034935 -0.037484 -0.086814 28O 1f0 0.013513 0.060428 0.022522 0.007440 0.023226 0.008211 28O 1f+1 -0.021662 -0.031663 -0.044501 -0.003749 -0.037999 -0.048232 28O 1f-1 0.007175 -0.002282 0.009136 0.015089 0.011820 0.021285 28O 1f+2 -0.017271 -0.059302 -0.010212 0.011350 0.019325 0.036335 28O 1f-2 -0.018393 -0.029750 -0.032242 -0.019274 -0.029854 -0.038625 28O 1f+3 -0.021159 -0.051583 -0.004434 -0.010356 -0.009380 0.002257 28O 1f-3 -0.008094 -0.016372 -0.005750 -0.010668 -0.009497 -0.013165 29O 1s -0.000417 0.000703 -0.000311 0.001414 0.000071 0.000755 29O 2s -0.002200 0.001889 -0.001105 0.004967 -0.000022 0.002686 29O 3s 0.035668 -0.004524 0.011284 -0.046264 0.005340 -0.025723 29O 4s -0.094346 0.000193 -0.021844 0.103997 -0.012279 0.073185 29O 5s -0.010611 -0.139347 -0.012305 -0.111050 -0.051667 -0.158369 29O 1pz 0.012247 -0.035366 0.007393 -0.004299 0.004303 0.002356 29O 1px -0.002610 -0.008254 -0.004553 0.008677 0.003185 -0.002293 29O 1py -0.029427 -0.011169 -0.000654 -0.002014 -0.012496 0.000933 29O 2pz -0.039516 0.139629 -0.001157 0.026335 -0.007284 -0.006858 29O 2px -0.014592 0.020081 0.012883 -0.020824 -0.011084 -0.001995 29O 2py 0.093582 0.042513 0.002093 -0.000508 0.039844 -0.004789 29O 3pz 0.023140 -0.016320 0.058984 0.031114 0.028996 0.000758 29O 3px -0.028064 0.009246 -0.003628 0.065554 0.034729 0.025193 29O 3py -0.020289 0.025408 0.021491 0.015327 -0.023142 0.054736 29O 1dz2 -0.001991 0.003009 0.000825 0.004198 0.000673 0.003081 29O 1dxz -0.000551 -0.006761 0.000073 -0.005709 -0.001574 -0.002209 29O 1dyz 0.002110 0.002187 0.003231 -0.006345 -0.000163 0.005345 29O 1dx2y2 0.002013 -0.002133 0.002211 -0.004613 -0.001536 0.001672 29O 1dxy -0.004878 -0.001056 -0.005134 -0.005772 0.006532 -0.008388 29O 2dz2 -0.010034 -0.028783 -0.001991 -0.005905 -0.004231 0.008604 29O 2dxz -0.018716 -0.004571 0.000785 0.005684 -0.010329 -0.003415 29O 2dyz 0.019944 -0.043814 -0.006835 -0.020431 0.002924 0.005075 29O 2dx2y2 0.005059 0.005726 0.002186 0.001205 -0.001809 0.000280 29O 2dxy 0.006316 -0.011806 -0.006636 -0.011016 0.004903 -0.001815 29O 1f0 -0.001648 0.001342 -0.000196 0.000036 -0.004119 0.003439 29O 1f+1 0.000979 -0.004932 -0.005804 0.001990 0.001299 -0.000128 29O 1f-1 -0.004719 -0.011208 0.000497 -0.000953 0.001013 0.000127 29O 1f+2 -0.005768 0.005957 0.002807 -0.009379 -0.000110 -0.003528 29O 1f-2 -0.004559 0.006679 0.003792 0.004603 -0.009111 0.006297 29O 1f+3 0.002592 -0.003499 0.000073 0.001025 -0.001247 0.002389 29O 1f-3 0.010192 -0.001646 0.009882 0.003591 -0.009923 0.013120 30O 1s 0.014996 -0.003509 0.004593 -0.005196 -0.011393 -0.008407 30O 2s 0.068078 -0.016750 0.021065 -0.019377 -0.044389 -0.037718 30O 3s -0.963909 0.252257 -0.361096 0.228786 0.541170 0.476597 30O 4s 3.192400 -0.871653 1.368845 -0.560894 -1.456515 -1.304439 30O 5s 2.045958 -0.720062 1.381294 -0.220911 -0.796863 -1.013491 30O 1pz 0.149049 -0.041088 0.056260 -0.028723 -0.057052 -0.110034 30O 1px -0.236978 0.065720 -0.088921 0.028149 0.092764 0.109452 30O 1py -0.140353 0.038373 -0.079099 0.033503 0.107783 0.100933 30O 2pz -1.040951 0.311995 -0.485565 0.177878 0.404445 0.578315 30O 2px 1.666847 -0.479524 0.827451 -0.215097 -0.637982 -0.585095 30O 2py 1.021370 -0.292635 0.553190 -0.186944 -0.605792 -0.574488 30O 3pz -0.445922 0.026674 -0.143212 0.085926 0.448844 0.138424 30O 3px 0.776216 -0.288588 0.529127 -0.109505 -0.268866 -0.320938 30O 3py 0.433789 -0.197966 0.094653 -0.240517 -0.306617 -0.082119 30O 1dz2 0.019247 -0.015438 0.004583 0.002959 0.010401 -0.005089 30O 1dxz 0.022248 -0.015266 0.013801 -0.014619 -0.003208 -0.002373 30O 1dyz 0.033137 -0.001748 -0.017020 0.016320 0.010269 -0.026445 30O 1dx2y2 -0.032632 0.000933 -0.024532 -0.007925 0.006702 -0.002766 30O 1dxy -0.004157 -0.002675 -0.008508 0.009782 0.027855 0.008143 30O 2dz2 -0.120723 0.037806 -0.106341 0.034955 0.088614 -0.015253 30O 2dxz -0.424997 0.108082 -0.189900 0.062556 0.183661 0.205770 30O 2dyz -0.202073 0.060512 -0.066320 0.076655 0.159314 0.224328 30O 2dx2y2 0.264328 -0.088168 0.194834 -0.025756 -0.043549 0.048676 30O 2dxy 0.420565 -0.134170 0.189352 -0.076559 -0.207879 -0.203145 30O 1f0 -0.013592 0.004093 0.016981 0.005996 0.024265 0.031501 30O 1f+1 0.007219 -0.000875 0.013003 0.002093 -0.015782 0.013300 30O 1f-1 0.013408 -0.010271 0.015386 -0.006336 0.009014 0.012645 30O 1f+2 0.051619 -0.021189 0.032694 0.013002 0.000935 0.000294 30O 1f-2 0.006448 -0.002386 -0.033264 -0.012063 -0.014967 -0.057370 30O 1f+3 0.067840 -0.018085 0.043215 0.009682 0.033314 0.021482 30O 1f-3 0.062868 -0.013472 0.028204 0.007059 -0.002370 -0.008352 31O 1s 0.014259 -0.003518 -0.005975 0.005375 0.011345 -0.009271 31O 2s 0.064835 -0.016915 -0.027368 0.020301 0.044234 -0.041195 31O 3s -0.913060 0.256927 0.449705 -0.244058 -0.541953 0.518078 31O 4s 3.014677 -0.895805 -1.659293 0.617113 1.470937 -1.411289 31O 5s 1.890757 -0.751979 -1.563351 0.266148 0.790021 -1.071375 31O 1pz -0.141701 0.042566 0.070899 -0.031110 -0.056094 0.116899 31O 1px 0.225710 -0.067962 -0.110433 0.032103 0.092590 -0.117712 31O 1py 0.129963 -0.040424 -0.091719 0.035100 0.106666 -0.110105 31O 2pz 0.979902 -0.321891 -0.583345 0.197718 0.405218 -0.615594 31O 2px -1.566798 0.497073 0.976066 -0.246288 -0.645996 0.630696 31O 2py -0.949606 0.304753 0.645520 -0.203936 -0.605294 0.621609 31O 3pz 0.425745 -0.033130 -0.183708 0.087591 0.450711 -0.162177 31O 3px -0.717513 0.299971 0.597220 -0.128019 -0.269802 0.337773 31O 3py -0.418523 0.195568 0.128686 -0.249681 -0.310638 0.103775 31O 1dz2 0.019077 -0.015596 -0.006069 -0.002254 -0.010360 -0.004677 31O 1dxz 0.020475 -0.014982 -0.015508 0.015586 0.003632 -0.002868 31O 1dyz 0.034763 -0.002033 0.013182 -0.015786 -0.010243 -0.026513 31O 1dx2y2 -0.030363 0.001903 0.027446 0.007712 -0.007125 -0.003143 31O 1dxy -0.002399 -0.002745 0.009016 -0.009748 -0.027913 0.009508 31O 2dz2 -0.108054 0.039495 0.115179 -0.037370 -0.090203 -0.011752 31O 2dxz -0.401054 0.112186 0.229366 -0.069552 -0.184597 0.219968 31O 2dyz -0.190083 0.060588 0.086607 -0.080018 -0.156215 0.239901 31O 2dx2y2 0.244134 -0.091926 -0.215661 0.031727 0.048978 0.049659 31O 2dxy 0.395530 -0.137612 -0.226541 0.084336 0.208466 -0.219753 31O 1f0 0.015245 -0.004094 0.015264 0.005879 0.023094 -0.034225 31O 1f+1 -0.005896 0.001374 0.013214 0.002216 -0.015948 -0.013108 31O 1f-1 -0.012165 0.010351 0.016552 -0.006826 0.008552 -0.013930 31O 1f+2 -0.048804 0.022453 0.037119 0.011793 0.000332 -0.001352 31O 1f-2 -0.008559 0.001281 -0.031884 -0.011968 -0.013731 0.060727 31O 1f+3 -0.064333 0.019113 0.048995 0.008022 0.031585 -0.024383 31O 1f-3 -0.059929 0.014454 0.033641 0.005897 -0.003002 0.008338 32O 1s -0.000423 0.000711 0.000301 -0.001434 -0.000086 0.000675 32O 2s -0.002200 0.001896 0.001173 -0.005031 -0.000041 0.002389 32O 3s 0.035081 -0.004040 -0.014081 0.046726 -0.004467 -0.022497 32O 4s -0.093754 -0.000801 0.030037 -0.104264 0.010593 0.065280 32O 5s 0.002115 -0.148159 0.022207 0.110036 0.048559 -0.152664 32O 1pz -0.011558 0.035417 0.007453 -0.005845 0.004183 -0.002607 32O 1px 0.002197 0.008193 -0.005297 0.008570 0.003215 0.002678 32O 1py 0.029131 0.011477 -0.003594 -0.002255 -0.011782 -0.000383 32O 2pz 0.039703 -0.138828 -0.000260 0.032212 -0.007338 0.006878 32O 2px 0.014569 -0.018197 0.012223 -0.019760 -0.010754 0.001304 32O 2py -0.091313 -0.045967 0.012796 0.000389 0.037723 0.002636 32O 3pz -0.018678 0.020579 0.061194 0.030011 0.027835 -0.003811 32O 3px 0.028755 -0.008162 -0.006516 0.065245 0.034084 -0.022745 32O 3py 0.025955 -0.029191 0.023183 0.014989 -0.022849 -0.054523 32O 1dz2 -0.001875 0.002570 -0.000782 -0.004602 -0.000684 0.003095 32O 1dxz -0.000562 -0.006515 0.000217 0.005778 0.001332 -0.002362 32O 1dyz 0.001728 0.002560 -0.003322 0.006389 0.000205 0.005091 32O 1dx2y2 0.001815 -0.002101 -0.002325 0.004452 0.001498 0.001652 32O 1dxy -0.004143 -0.000843 0.005544 0.005640 -0.006843 -0.008413 32O 2dz2 -0.010393 -0.027495 0.003894 0.005794 0.004174 0.007762 32O 2dxz -0.018486 -0.004357 0.001008 -0.006284 0.009720 -0.003890 32O 2dyz 0.019587 -0.043765 0.006883 0.022636 -0.002702 0.004693 32O 2dx2y2 0.004343 0.006834 -0.003110 -0.002042 0.001866 0.000431 32O 2dxy 0.005837 -0.010306 0.006358 0.011333 -0.004627 -0.001999 32O 1f0 0.001464 -0.001932 -0.000452 0.000143 -0.004330 -0.003047 32O 1f+1 -0.001864 0.005078 -0.005735 0.001621 0.001664 0.000126 32O 1f-1 0.005169 0.010655 -0.000191 -0.001671 0.000952 -0.000293 32O 1f+2 0.005685 -0.006887 0.002653 -0.009060 0.000019 0.003289 32O 1f-2 0.005038 -0.006505 0.003297 0.004594 -0.009073 -0.005933 32O 1f+3 -0.001709 0.002795 0.000114 0.000496 -0.001722 -0.002401 32O 1f-3 -0.009290 0.002720 0.010386 0.003484 -0.010607 -0.012897 33O 1s -0.006482 -0.019168 0.002872 0.007391 -0.007103 0.006884 33O 2s -0.027673 -0.083788 0.014599 0.030020 -0.028354 0.029600 33O 3s 0.371223 1.113388 -0.257737 -0.432646 0.362416 -0.342555 33O 4s -1.219373 -3.505032 1.047208 1.391321 -0.971470 0.807866 33O 5s -0.507095 -2.105634 0.837832 1.015632 -0.456898 0.634580 33O 1pz 0.063936 0.216928 -0.060812 -0.096511 0.077070 -0.097817 33O 1px -0.082821 -0.296615 0.079785 0.075359 -0.063728 0.091095 33O 1py -0.000976 0.026730 -0.012220 -0.002675 0.031258 -0.032520 33O 2pz -0.437582 -1.414613 0.465115 0.671785 -0.472179 0.474822 33O 2px 0.612227 1.920500 -0.671450 -0.739467 0.453155 -0.388260 33O 2py -0.019610 -0.153830 0.051097 0.022226 -0.154292 0.176515 33O 3pz -0.351647 -0.667815 0.056187 0.254241 -0.465959 0.141215 33O 3px 0.240376 0.853706 -0.266375 -0.452860 0.181702 -0.175374 33O 3py -0.008000 -0.073750 -0.171341 0.111046 -0.088849 -0.072805 33O 1dz2 0.006733 -0.011206 0.009717 0.015790 0.012566 -0.018153 33O 1dxz -0.000612 -0.022007 0.000122 0.020121 -0.011964 0.004799 33O 1dyz 0.002366 0.023958 0.001703 0.025305 -0.016585 -0.013722 33O 1dx2y2 0.021583 0.035018 -0.024186 -0.004088 0.008483 -0.005885 33O 1dxy 0.005598 0.022343 -0.007673 0.005833 -0.023699 0.008101 33O 2dz2 0.029584 0.014069 -0.058056 -0.003942 -0.056354 0.129659 33O 2dxz 0.199223 0.609608 -0.179722 -0.251719 0.215491 -0.210775 33O 2dyz 0.027398 -0.007521 -0.035751 -0.002881 -0.064045 0.105764 33O 2dx2y2 -0.136703 -0.426842 0.155237 0.210780 -0.098938 0.024616 33O 2dxy -0.007486 0.060292 0.019360 0.030148 0.035226 -0.087125 33O 1f0 -0.011345 -0.058910 0.024588 0.009780 0.021705 -0.008272 33O 1f+1 0.017742 0.029711 -0.046445 -0.005329 -0.035100 0.049000 33O 1f-1 -0.006646 0.003339 0.009654 0.014797 0.011110 -0.021860 33O 1f+2 0.015757 0.059457 -0.013589 0.008647 0.018648 -0.036810 33O 1f-2 0.015720 0.028343 -0.034650 -0.019926 -0.028564 0.039333 33O 1f+3 0.020980 0.051882 -0.008776 -0.012005 -0.009606 -0.001799 33O 1f-3 0.007677 0.015611 -0.006954 -0.010756 -0.009091 0.013297 34O 1s -0.021753 0.007369 0.003747 0.009914 0.013816 0.002225 34O 2s -0.091353 0.030239 0.012153 0.042444 0.057525 0.016223 34O 3s 1.143170 -0.363805 -0.078170 -0.569368 -0.740971 -0.331787 34O 4s -3.368026 1.030117 0.205568 1.640290 2.027615 1.247242 34O 5s -1.802332 0.468223 0.285519 1.172805 1.382264 0.400543 34O 1pz -0.027362 0.014152 0.027466 -0.015537 -0.001964 -0.013772 34O 1px 0.375740 -0.121505 -0.081200 -0.181622 -0.233579 -0.077578 34O 1py -0.077275 0.027619 0.009548 0.056462 0.097038 0.025485 34O 2pz 0.201184 -0.073147 -0.146543 0.029853 -0.030638 0.036867 34O 2px -2.235077 0.671504 0.222006 1.181005 1.423580 0.823997 34O 2py 0.389432 -0.110927 0.064824 -0.313087 -0.478222 -0.243619 34O 3pz -0.062284 -0.068292 -0.010862 -0.090803 0.098195 0.049980 34O 3px -1.065183 0.251124 0.084065 0.545556 0.652675 0.369395 34O 3py 0.308729 -0.141811 0.036500 -0.201622 -0.067011 -0.118792 34O 1dz2 -0.015438 0.018648 -0.009667 0.019676 -0.004597 0.019305 34O 1dxz -0.020858 0.010883 0.020804 -0.000331 0.002048 -0.004117 34O 1dyz -0.023014 0.000424 0.012281 -0.014992 -0.013431 0.011719 34O 1dx2y2 0.023788 0.002261 0.012849 -0.014648 -0.026560 -0.025805 34O 1dxy 0.006326 -0.003810 -0.040188 0.006486 0.016648 0.039533 34O 2dz2 0.355243 -0.091005 0.008968 -0.206699 -0.281884 -0.158762 34O 2dxz 0.121349 -0.050381 -0.090408 -0.016548 -0.015358 0.028356 34O 2dyz -0.037178 0.008485 0.024717 -0.011133 -0.018553 0.019348 34O 2dx2y2 -0.590243 0.175180 0.038281 0.316919 0.360930 0.228988 34O 2dxy 0.181979 -0.061770 0.095922 -0.183968 -0.248673 -0.149658 34O 1f0 0.013363 -0.007563 0.007811 -0.002487 -0.012894 -0.004083 34O 1f+1 -0.051794 0.029811 0.006648 0.027017 0.044597 0.015471 34O 1f-1 -0.009090 0.003379 0.032174 -0.030140 -0.008948 -0.015478 34O 1f+2 -0.059044 0.024038 0.065536 -0.005264 -0.005362 -0.022749 34O 1f-2 -0.006490 -0.003130 0.034840 -0.016418 -0.016211 -0.042592 34O 1f+3 -0.045199 0.002065 -0.008721 0.018073 0.008697 0.020867 34O 1f-3 -0.003484 0.003299 0.039342 -0.025192 -0.044157 -0.025181 35O 1s 0.006227 0.019782 -0.006960 0.009368 -0.014869 0.002314 35O 2s 0.025932 0.085048 -0.028656 0.041702 -0.061093 0.003619 35O 3s -0.313858 -1.104442 0.351433 -0.594822 0.772115 0.068244 35O 4s 0.885313 3.340359 -1.038734 1.688757 -2.115293 -0.436355 35O 5s 0.687022 1.955505 -1.093232 1.117923 -1.618937 0.066444 35O 1pz 0.000781 -0.021985 0.029727 -0.052995 0.046398 0.013157 35O 1px -0.111095 -0.344792 0.162031 -0.139136 0.224527 -0.011827 35O 1py -0.037082 -0.136649 0.068463 -0.077400 0.126233 0.007659 35O 2pz -0.018758 0.086925 -0.067593 0.294651 -0.194106 -0.122876 35O 2px 0.611357 2.146651 -0.845522 1.055868 -1.376785 -0.240368 35O 2py 0.215143 0.837910 -0.322122 0.540791 -0.692773 -0.180433 35O 3pz 0.064597 0.194810 0.057454 -0.002640 -0.113205 -0.062429 35O 3px 0.311838 1.011107 -0.381119 0.438292 -0.754516 -0.062311 35O 3py 0.024214 0.548692 -0.182377 0.277058 -0.227989 0.007150 35O 1dz2 -0.012857 0.008934 -0.001753 0.032252 -0.006801 -0.004862 35O 1dxz 0.009801 0.020342 -0.021679 -0.028996 0.003362 0.025020 35O 1dyz 0.005661 -0.018997 -0.002617 0.000090 -0.020825 0.010823 35O 1dx2y2 -0.015261 -0.033269 0.008847 -0.010815 0.014109 0.012357 35O 1dxy -0.002997 -0.017771 -0.012750 -0.021521 0.011125 0.032453 35O 2dz2 -0.109369 -0.376678 0.126340 -0.179987 0.243712 0.066070 35O 2dxz -0.003226 0.022726 0.013124 0.157814 -0.082104 -0.092701 35O 2dyz 0.005091 -0.018387 0.011927 0.093744 -0.073588 -0.030277 35O 2dx2y2 0.144778 0.475602 -0.181758 0.220529 -0.296917 -0.045048 35O 2dxy 0.095352 0.424327 -0.141924 0.321715 -0.342398 -0.092787 35O 1f0 -0.008292 -0.020743 0.004360 0.034021 0.002214 -0.013511 35O 1f+1 0.008399 0.049336 -0.006063 0.017567 -0.021321 -0.014152 35O 1f-1 -0.019106 -0.016740 0.034045 0.043697 -0.006378 -0.030563 35O 1f+2 0.014368 0.021729 -0.026225 -0.055358 0.017830 0.052000 35O 1f-2 0.008732 0.019727 -0.006995 0.002853 0.011310 -0.012038 35O 1f+3 0.022172 0.047306 -0.022412 0.003904 -0.013934 0.007278 35O 1f-3 0.019753 0.044330 -0.017824 0.031486 -0.036496 -0.000518 600 601 602 603 604 605 4.48147 4.48674 4.52409 4.53146 4.54521 4.54674 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s -0.002741 -0.001090 -0.006531 0.000308 0.005371 0.000644 0Rh 2s 0.024261 0.006242 0.052407 -0.002727 -0.045902 -0.005116 0Rh 3s -0.001896 -0.002790 -0.007779 0.000216 0.004740 0.000800 0Rh 4s -0.138613 -0.036091 -0.301438 0.015709 0.264065 0.029461 0Rh 5s 0.331008 0.072374 0.707190 -0.038445 -0.635990 -0.069206 0Rh 6s -0.333216 -0.006166 -0.632956 0.042754 0.658497 0.061963 0Rh 7s 0.613501 -0.586277 0.373714 -0.074264 -1.297906 -0.089730 0Rh 8s 0.122773 0.169059 0.105406 0.014381 -0.118156 0.036967 0Rh 1pz 0.001451 0.007035 0.003135 -0.001077 0.005497 -0.000555 0Rh 1px 0.012129 -0.004197 0.001141 0.000720 -0.007010 -0.000271 0Rh 1py 0.002505 -0.002123 -0.000527 -0.005010 -0.003109 -0.003208 0Rh 2pz -0.005680 -0.028058 -0.012141 0.004310 -0.022102 0.002146 0Rh 2px -0.048737 0.015999 -0.005682 -0.002878 0.028493 0.001156 0Rh 2py -0.010134 0.008416 0.001896 0.020052 0.012560 0.012735 0Rh 3pz 0.011900 0.072958 0.023034 -0.011280 0.059300 -0.004031 0Rh 3px 0.133384 -0.024980 0.038248 0.007390 -0.084863 -0.004510 0Rh 3py 0.029492 -0.020699 -0.000330 -0.051822 -0.035691 -0.030703 0Rh 4pz 0.005125 -0.061585 0.016772 0.008743 -0.045628 -0.003091 0Rh 4px -0.131591 -0.044664 -0.113921 -0.004848 0.110041 0.008547 0Rh 4py -0.037362 0.012580 -0.018043 0.031556 0.039583 0.010089 0Rh 5pz -0.055908 0.011293 -0.094138 0.001286 -0.023940 0.015442 0Rh 5px 0.067168 0.172411 0.175904 -0.003499 -0.128212 -0.003322 0Rh 5py 0.039743 0.009838 0.045283 0.052347 -0.028768 0.055871 0Rh 6pz 0.626168 -0.050528 -0.024269 -0.012056 -0.253661 0.057313 0Rh 6px -0.940342 -0.369156 0.231886 -0.008000 1.838299 -0.206624 0Rh 6py -0.252269 -0.002125 0.052815 -0.338957 0.331083 -0.094635 0Rh 1dz2 0.003567 0.015687 0.024832 -0.005984 0.003157 0.011017 0Rh 1dxz 0.000614 0.016195 0.030051 -0.001812 0.011056 -0.008973 0Rh 1dyz 0.004405 0.002558 0.006392 -0.022011 0.007073 0.020869 0Rh 1dx2y2 -0.001611 -0.029382 -0.046178 -0.005092 -0.006237 0.010123 0Rh 1dxy -0.001599 -0.010117 -0.013999 -0.013050 -0.002563 0.010264 0Rh 2dz2 -0.000228 0.002489 0.001503 -0.000074 0.000164 0.002824 0Rh 2dxz 0.000102 -0.000579 0.001813 -0.000178 0.000500 -0.000973 0Rh 2dyz 0.000362 -0.000561 0.000872 -0.000593 0.000518 0.006087 0Rh 2dx2y2 0.000555 -0.003470 -0.002603 -0.000089 -0.000083 0.001476 0Rh 2dxy -0.000168 -0.000627 -0.000662 -0.000459 0.000265 0.001766 0Rh 3dz2 -0.013915 -0.076364 -0.109961 0.025348 -0.014000 -0.059757 0Rh 3dxz -0.002839 -0.064208 -0.133027 0.008289 -0.048367 0.042098 0Rh 3dyz -0.019977 -0.007814 -0.030686 0.094725 -0.031903 -0.116848 0Rh 3dx2y2 0.004135 0.137609 0.203281 0.021826 0.026661 -0.049336 0Rh 3dxy 0.007303 0.044771 0.060922 0.056386 0.009621 -0.051544 0Rh 4dz2 0.022668 0.130516 0.171294 -0.041808 0.025263 0.116790 0Rh 4dxz 0.001966 0.089486 0.205209 -0.012565 0.073507 -0.071116 0Rh 4dyz 0.032781 0.006323 0.052231 -0.155950 0.052882 0.232881 0Rh 4dx2y2 -0.004502 -0.228116 -0.312040 -0.036898 -0.043212 0.085955 0Rh 4dxy -0.011165 -0.070590 -0.090698 -0.086663 -0.013381 0.094962 0Rh 5dz2 -0.068004 -0.146514 -0.121323 0.127023 -0.075481 -0.145622 0Rh 5dxz 0.040367 -0.062247 -0.110120 -0.008892 -0.010263 0.069780 0Rh 5dyz -0.031186 0.005088 -0.030982 0.388819 -0.080843 -0.269067 0Rh 5dx2y2 0.041040 0.241925 0.200647 0.101440 0.051914 -0.075242 0Rh 5dxy 0.003051 0.068601 0.036418 0.099273 0.003077 -0.112507 0Rh 1f0 -0.000490 0.011511 -0.000630 -0.004008 -0.005360 0.006754 0Rh 1f+1 0.000997 0.002153 -0.004110 -0.006479 0.009852 -0.010010 0Rh 1f-1 0.005355 -0.005557 0.001915 -0.004193 0.010204 0.009967 0Rh 1f+2 -0.011966 -0.004873 -0.002122 0.003952 -0.008389 0.003394 0Rh 1f-2 -0.004571 -0.004406 -0.003410 -0.020982 0.002319 -0.022717 0Rh 1f+3 0.002908 -0.008770 -0.000353 0.008063 0.011769 0.001527 0Rh 1f-3 -0.004206 -0.004772 0.000392 0.001632 0.003398 0.017618 1Rh 1s 0.002675 -0.001114 -0.006443 -0.000310 -0.005381 0.001171 1Rh 2s -0.023814 0.006490 0.051660 0.002744 0.045986 -0.009634 1Rh 3s 0.001769 -0.002785 -0.007699 -0.000220 -0.004749 0.001257 1Rh 4s 0.136038 -0.037497 -0.297144 -0.015810 -0.264546 0.055452 1Rh 5s -0.325332 0.075779 0.696864 0.038709 0.637116 -0.131847 1Rh 6s 0.329767 -0.009729 -0.622282 -0.043154 -0.659477 0.126910 1Rh 7s -0.623335 -0.580276 0.354801 0.078026 1.285974 -0.215073 1Rh 8s -0.120988 0.169296 0.103874 -0.017699 0.124610 0.028944 1Rh 1pz 0.001430 -0.007147 -0.003194 -0.001019 0.005422 0.000022 1Rh 1px 0.012221 0.003932 -0.001081 0.000754 -0.006881 0.000965 1Rh 1py 0.002779 0.002101 0.000548 -0.005000 -0.002812 0.003519 1Rh 2pz -0.005603 0.028503 0.012382 0.004075 -0.021802 -0.000006 1Rh 2px -0.049082 -0.014936 0.005437 -0.003015 0.027987 -0.003971 1Rh 2py -0.011230 -0.008328 -0.001982 0.020006 0.011385 -0.013994 1Rh 3pz 0.011788 -0.074050 -0.023703 -0.010642 0.058459 -0.001703 1Rh 3px 0.133734 0.022192 -0.037525 0.007800 -0.083706 0.012806 1Rh 3py 0.032447 0.020478 0.000555 -0.051558 -0.032871 0.034323 1Rh 4pz 0.005185 0.062012 -0.016111 0.008176 -0.044795 0.007494 1Rh 4px -0.129775 0.046954 0.113025 -0.005365 0.109763 -0.018990 1Rh 4py -0.040137 -0.012412 0.017840 0.030659 0.038641 -0.014373 1Rh 5pz -0.056805 -0.009449 0.093860 0.001169 -0.024071 -0.013140 1Rh 5px 0.062111 -0.172327 -0.174958 -0.002899 -0.130552 0.014939 1Rh 5py 0.040625 -0.009887 -0.045140 0.054479 -0.033700 -0.051833 1Rh 6pz 0.634043 0.037027 0.029577 -0.008645 -0.254967 -0.033614 1Rh 6px -0.937896 0.369630 -0.249871 -0.011420 1.852150 0.035143 1Rh 6py -0.252911 0.004667 -0.057328 -0.340850 0.340130 0.055467 1Rh 1dz2 -0.002980 0.015813 0.024924 0.005923 -0.001792 0.011043 1Rh 1dxz 0.000286 0.016399 0.030128 0.001935 -0.011580 -0.007927 1Rh 1dyz -0.004305 0.002657 0.006538 0.021921 -0.005170 0.021081 1Rh 1dx2y2 0.000443 -0.029565 -0.046289 0.005022 0.006596 0.009666 1Rh 1dxy 0.001397 -0.010159 -0.014136 0.013238 0.003412 0.009773 1Rh 2dz2 0.000324 0.002484 0.001503 0.000069 0.000117 0.002811 1Rh 2dxz -0.000054 -0.000567 0.001803 0.000209 -0.000585 -0.000924 1Rh 2dyz -0.000334 -0.000557 0.000875 0.000570 0.000030 0.006088 1Rh 2dx2y2 -0.000698 -0.003457 -0.002596 0.000064 0.000178 0.001478 1Rh 2dxy 0.000235 -0.000620 -0.000665 0.000515 -0.000095 0.001775 1Rh 3dz2 0.011040 -0.076867 -0.110345 -0.025072 0.006942 -0.059800 1Rh 3dxz -0.001100 -0.065099 -0.133303 -0.008950 0.050964 0.037511 1Rh 3dyz 0.019431 -0.008239 -0.031301 -0.094240 0.021285 -0.117719 1Rh 3dx2y2 0.001349 0.138304 0.203717 -0.021410 -0.028624 -0.047416 1Rh 3dxy -0.006785 0.044914 0.061506 -0.057432 -0.014001 -0.049511 1Rh 4dz2 -0.017713 0.131354 0.171891 0.041392 -0.012024 0.116894 1Rh 4dxz 0.004181 0.090765 0.205523 0.013839 -0.078159 -0.064154 1Rh 4dyz -0.031684 0.006970 0.053168 0.155080 -0.031780 0.234120 1Rh 4dx2y2 -0.004572 -0.229154 -0.312670 0.036038 0.046980 0.082914 1Rh 4dxy 0.011002 -0.070762 -0.091612 0.088682 0.021655 0.091761 1Rh 5dz2 0.062490 -0.148917 -0.122431 -0.127682 0.059837 -0.148801 1Rh 5dxz -0.046992 -0.061363 -0.109661 0.006752 0.016482 0.069117 1Rh 5dyz 0.028284 0.004933 -0.032436 -0.390108 0.057018 -0.271216 1Rh 5dx2y2 -0.031882 0.244060 0.201057 -0.100314 -0.055416 -0.072461 1Rh 5dxy -0.005324 0.068808 0.036984 -0.102561 -0.013266 -0.108877 1Rh 1f0 -0.000879 -0.011463 0.000638 -0.004064 -0.006275 -0.006277 1Rh 1f+1 0.001000 -0.002304 0.004006 -0.006514 0.010884 0.009103 1Rh 1f-1 0.005779 0.005257 -0.001928 -0.004011 0.009263 -0.011054 1Rh 1f+2 -0.011969 0.005295 0.002122 0.004047 -0.008424 -0.002672 1Rh 1f-2 -0.004513 0.004512 0.003332 -0.021288 0.004539 0.022290 1Rh 1f+3 0.003266 0.008582 0.000261 0.008157 0.011918 -0.002525 1Rh 1f-3 -0.003810 0.004839 -0.000295 0.002051 0.002043 -0.017856 2C 1s -0.004309 0.001861 0.008253 -0.000474 -0.000162 -0.013956 2C 2s -0.012238 -0.004741 0.011564 0.006837 -0.009838 -0.018678 2C 3s 0.204838 0.243720 0.020608 -0.330253 0.440428 -0.093900 2C 4s -0.212738 -0.354132 -0.503081 0.380935 -0.662672 0.734630 2C 5s -0.237201 1.118204 1.780557 -1.497402 1.677681 -3.761905 2C 1pz 0.068933 0.039788 -0.037066 -0.044768 0.064658 0.060112 2C 1px -0.001477 -0.022609 -0.016474 -0.003636 0.028142 0.016885 2C 1py 0.028048 0.018029 -0.023310 -0.026371 0.034438 0.033798 2C 2pz -0.280297 0.598014 0.611241 -0.887427 0.856763 -1.149252 2C 2px 1.195181 1.380742 0.181792 -0.150202 -0.376897 -0.068736 2C 2py 0.038487 0.542885 0.534703 -0.593052 0.496782 -0.731268 2C 3pz -0.041330 0.054408 0.188292 -0.155983 0.174555 -0.531595 2C 3px -0.338334 -0.236669 0.221992 0.104932 -0.018997 -0.317807 2C 3py -0.027520 0.044172 0.075061 -0.129037 0.147998 -0.349216 2C 1dz2 0.047550 0.121015 0.091038 -0.077732 0.032192 -0.092571 2C 1dxz -0.248138 -0.176750 0.072564 -0.020874 0.097899 -0.116340 2C 1dyz 0.143085 0.238283 0.096318 -0.121188 0.073527 -0.113813 2C 1dx2y2 0.132788 0.072536 -0.056206 0.007036 -0.050620 0.095568 2C 1dxy -0.070582 -0.046346 -0.005729 -0.029227 0.077478 -0.034443 2C 2dz2 -0.034624 0.168376 0.147838 -0.255777 0.195457 -0.240125 2C 2dxz -0.489305 -0.369156 0.037139 -0.270087 0.422991 -0.167524 2C 2dyz 0.309640 0.601250 0.304940 -0.254863 0.087634 -0.384333 2C 2dx2y2 0.296512 0.274690 0.073676 0.215575 -0.441166 0.088956 2C 2dxy -0.126034 0.004548 0.078157 -0.012332 0.040104 -0.169512 2C 1f0 0.176889 0.105366 -0.042740 0.041477 -0.171475 0.145564 2C 1f+1 0.075555 0.073426 -0.051636 -0.078255 0.084695 0.048140 2C 1f-1 -0.145086 -0.156258 -0.008760 0.063491 -0.065353 0.042912 2C 1f+2 -0.215931 -0.050722 0.151637 -0.156851 0.229501 -0.283276 2C 1f-2 -0.238023 -0.359861 -0.156252 0.149718 -0.089653 0.228739 2C 1f+3 -0.038648 0.142249 0.181653 -0.214227 0.227901 -0.285842 2C 1f-3 0.307147 0.295598 0.002831 -0.056206 -0.007033 0.014009 3C 1s -0.007147 0.000283 0.010958 0.001455 0.002153 0.012810 3C 2s -0.014653 -0.006560 0.015391 -0.008396 -0.003784 0.015351 3C 3s 0.133990 0.228611 0.025266 0.469143 0.282432 0.155530 3C 4s -0.099108 -0.319693 -0.600525 -0.634663 -0.179427 -0.619977 3C 5s -0.779761 0.553035 2.429633 1.890451 2.066094 3.537992 3C 1pz 0.040964 0.031135 -0.019757 0.025861 0.005044 -0.021520 3C 1px 0.010369 -0.013765 -0.020479 0.008880 0.017442 -0.012082 3C 1py -0.059746 -0.043761 0.055244 -0.074136 -0.022434 0.043125 3C 2pz -1.042427 -0.280946 0.563319 0.742638 0.991744 0.893273 3C 2px 0.654906 1.293425 0.321936 0.595941 0.030496 0.386620 3C 2py 0.496742 -0.585339 -0.859951 -1.112113 -1.272182 -1.326729 3C 3pz 0.155794 0.124586 -0.003364 0.214804 0.162660 0.183506 3C 3px -0.244583 -0.224018 0.258725 -0.064682 0.125286 0.257207 3C 3py 0.149925 0.070670 -0.331680 -0.142012 -0.200891 -0.511132 3C 1dz2 0.037310 0.021320 -0.008466 -0.038338 -0.066199 -0.028423 3C 1dxz -0.199389 -0.158632 0.074052 0.001042 0.121699 0.094682 3C 1dyz -0.146653 -0.269109 -0.075617 -0.176737 -0.067336 -0.102480 3C 1dx2y2 0.089068 -0.049141 -0.137888 -0.088640 -0.080328 -0.135026 3C 1dxy 0.156890 0.052091 -0.096352 -0.072017 -0.135361 -0.119898 3C 2dz2 0.106027 0.022004 -0.158687 0.035170 -0.064318 -0.138942 3C 2dxz -0.457291 -0.393736 0.033958 0.213997 0.439433 0.196523 3C 2dyz -0.200997 -0.621150 -0.336153 -0.289609 -0.112234 -0.377756 3C 2dx2y2 0.271671 0.042776 -0.122569 -0.414390 -0.481402 -0.310806 3C 2dxy 0.283697 -0.007096 -0.187293 -0.338221 -0.375293 -0.301368 3C 1f0 0.208148 0.057135 -0.156810 -0.100406 -0.153290 -0.175693 3C 1f+1 0.270102 0.222293 -0.082298 -0.004537 -0.139253 -0.102010 3C 1f-1 -0.032448 -0.174749 -0.133097 -0.144886 -0.070195 -0.170327 3C 1f+2 -0.054384 0.212831 0.225938 0.379051 0.303420 0.356088 3C 1f-2 -0.122243 0.043888 0.201906 0.167831 0.168315 0.269363 3C 1f+3 -0.082214 -0.091174 -0.037923 0.041277 0.117588 -0.010298 3C 1f-3 -0.294172 -0.330204 -0.002589 -0.114809 0.051052 -0.008425 4C 1s -0.014414 -0.006743 0.019094 0.018753 -0.024240 -0.014221 4C 2s -0.032619 -0.021941 0.035378 0.045130 -0.055195 -0.022336 4C 3s -0.330540 0.305653 0.970283 0.386135 -0.694099 -1.282336 4C 4s 2.530522 -0.760672 -5.472916 -2.857921 4.573146 6.820434 4C 5s 0.428837 -0.276243 -1.122531 0.273320 -0.406020 1.761030 4C 1pz 0.007676 -0.059982 -0.051855 0.063746 -0.087946 0.056080 4C 1px -0.011330 -0.010990 -0.009250 0.018209 -0.000168 0.013439 4C 1py 0.003674 -0.038867 -0.030925 0.053068 -0.037035 0.032504 4C 2pz 0.768013 1.056445 -1.292952 -2.469458 3.105239 1.376359 4C 2px 0.246489 -0.999443 0.803576 1.852961 -2.726772 -0.858108 4C 2py 0.478558 0.212417 -0.495744 -0.847654 0.794958 0.535670 4C 3pz -0.252500 -0.001991 0.430800 -0.422143 0.581899 -1.641245 4C 3px 0.139854 0.038381 -0.000847 -0.187359 -0.093666 -0.158694 4C 3py -0.189798 -0.027751 0.312504 -0.307697 0.281115 -1.095768 4C 1dz2 0.033020 0.108722 0.043280 -0.033244 0.047245 -0.062241 4C 1dxz -0.194532 -0.193666 0.218458 0.253684 -0.299290 -0.276823 4C 1dyz 0.084176 0.075007 -0.073068 -0.081130 0.112844 0.038779 4C 1dx2y2 0.154245 0.000536 -0.255295 -0.174417 0.236427 0.301128 4C 1dxy 0.009779 -0.118726 -0.086012 0.002914 0.028293 0.082077 4C 2dz2 -0.382235 -0.186073 0.054517 0.152830 -0.109861 0.060141 4C 2dxz -0.275450 -0.364840 0.883484 1.239649 -1.726108 -0.833634 4C 2dyz -0.041893 -0.439347 -0.305175 0.273500 -0.157249 0.508632 4C 2dx2y2 0.450689 0.127015 -0.866331 -0.907120 1.149854 0.820862 4C 2dxy 0.294493 -0.157313 -0.234629 0.168310 -0.272130 0.250750 4C 1f0 -0.102693 -0.041981 0.126106 0.089506 -0.046604 -0.174500 4C 1f+1 0.091473 0.175410 0.274655 0.173285 -0.295074 -0.235570 4C 1f-1 -0.051826 0.084036 0.080549 -0.138667 0.164595 -0.083001 4C 1f+2 0.143657 0.047555 -0.304492 -0.186969 0.278945 0.336813 4C 1f-2 0.160919 0.149501 0.095160 0.053710 -0.185816 -0.073158 4C 1f+3 0.122140 0.156926 -0.080871 -0.117826 0.109323 0.115586 4C 1f-3 -0.064677 0.119434 0.158092 -0.000666 -0.033643 -0.154614 5C 1s -0.014456 -0.007586 0.021945 -0.024270 -0.015659 0.006523 5C 2s -0.028297 -0.022115 0.039957 -0.058712 -0.040178 0.004804 5C 3s -0.607071 0.173361 1.231023 -0.469462 -0.160748 1.073142 5C 4s 3.807165 -0.134439 -6.852487 3.560958 1.575199 -5.390621 5C 5s 0.797501 -0.145457 -1.429509 -0.436526 -0.672800 -1.537145 5C 1pz 0.023308 -0.025885 -0.030594 -0.043786 -0.066659 -0.033934 5C 1px 0.010749 -0.014522 -0.025281 -0.037979 -0.014412 -0.035720 5C 1py -0.048849 0.047885 0.061578 0.105760 0.098564 0.077759 5C 2pz 0.234260 0.751575 -1.192838 2.209556 1.855702 -0.691187 5C 2px 0.395756 -1.075227 0.902181 -1.851784 -1.489844 1.282822 5C 2py -0.445846 -0.902836 1.435983 -2.837619 -2.234332 0.567119 5C 3pz -0.181512 -0.218344 0.504103 0.191042 0.451526 0.898399 5C 3px 0.048512 -0.069353 0.203539 0.264032 -0.008444 0.506521 5C 3py 0.173482 0.273365 -0.685606 -0.459220 -0.663177 -1.403114 5C 1dz2 -0.060901 0.048383 0.174514 -0.107888 -0.060691 0.084344 5C 1dxz -0.136353 -0.116901 0.245399 -0.238587 -0.128909 0.199652 5C 1dyz -0.171997 -0.167912 0.189619 -0.240893 -0.125619 0.102774 5C 1dx2y2 0.121309 -0.079499 -0.226930 0.075081 0.059683 -0.148691 5C 1dxy 0.092007 0.170510 -0.159414 0.206213 0.117706 -0.169919 5C 2dz2 -0.437423 0.094915 0.533275 -0.191694 -0.093008 0.298124 5C 2dxz -0.244248 -0.268031 0.862445 -1.194384 -0.964695 0.403816 5C 2dyz -0.215596 0.159168 0.824302 -0.269363 -0.086189 0.851490 5C 2dx2y2 0.526065 0.202040 -0.655020 0.831236 0.543572 -0.002926 5C 2dxy 0.002287 0.475660 -0.567367 1.325474 1.074740 -0.307803 5C 1f0 -0.045335 -0.120304 0.136635 -0.274358 -0.187942 0.106466 5C 1f+1 -0.053093 0.090336 0.147006 -0.004108 0.013042 0.048327 5C 1f-1 0.103567 0.073912 0.026580 -0.035013 -0.104946 0.026358 5C 1f+2 0.171979 0.092693 -0.132882 -0.016385 -0.135383 -0.152979 5C 1f-2 0.033130 -0.020236 -0.376096 0.259898 0.203562 -0.282100 5C 1f+3 0.013931 0.245163 0.235078 0.014464 -0.053128 0.132998 5C 1f-3 0.227051 0.060775 -0.281405 0.149876 0.033788 -0.177906 6C 1s 0.014291 -0.008129 0.021928 0.023972 0.016045 0.005341 6C 2s 0.027683 -0.023339 0.039899 0.058018 0.039877 0.001772 6C 3s 0.620394 0.158865 1.230546 0.459780 0.268600 1.058519 6C 4s -3.850732 -0.031015 -6.848766 -3.497795 -2.098285 -5.260593 6C 5s -0.811150 -0.135696 -1.425510 0.439973 0.510298 -1.588731 6C 1pz 0.024350 0.026286 0.030891 -0.043519 -0.061739 0.039417 6C 1px 0.011368 0.014699 0.025050 -0.038097 -0.010122 0.036539 6C 1py -0.050676 -0.048083 -0.061581 0.104942 0.088054 -0.085023 6C 2pz 0.199555 -0.784727 1.181190 2.175846 1.891456 0.526679 6C 2px 0.471926 1.089735 -0.879182 -1.809787 -1.611209 -1.119213 6C 2py -0.411799 0.943376 -1.426341 -2.797961 -2.242250 -0.380675 6C 3pz -0.184181 0.218580 -0.500989 0.189824 0.362795 -0.936081 6C 3px 0.045333 0.069348 -0.198334 0.262185 -0.058704 -0.500871 6C 3py 0.183142 -0.273936 0.683465 -0.455659 -0.521302 1.456967 6C 1dz2 0.065618 0.046028 0.174853 0.106980 0.068011 0.080606 6C 1dxz 0.130855 -0.122300 0.243963 0.233244 0.146066 0.187486 6C 1dyz 0.165176 -0.174115 0.188631 0.236829 0.133257 0.092522 6C 1dx2y2 -0.127249 -0.076361 -0.227379 -0.074363 -0.073453 -0.145252 6C 1dxy -0.082009 0.175386 -0.156925 -0.200270 -0.131814 -0.157172 6C 2dz2 0.446328 0.085092 0.534724 0.187938 0.120210 0.293805 6C 2dxz 0.237012 -0.287146 0.859654 1.179685 0.991148 0.321842 6C 2dyz 0.220571 0.154727 0.822091 0.261640 0.177466 0.837422 6C 2dx2y2 -0.527222 0.219365 -0.656861 -0.824534 -0.528367 0.032565 6C 2dxy 0.022757 0.489413 -0.560740 -1.305568 -1.089559 -0.210667 6C 1f0 -0.038600 0.124010 -0.135094 -0.269132 -0.194551 -0.089174 6C 1f+1 -0.059334 -0.089564 -0.147618 -0.006017 0.007344 -0.050778 6C 1f-1 0.099975 -0.074013 -0.026098 -0.035253 -0.107793 -0.016000 6C 1f+2 0.167037 -0.095316 0.132411 -0.018559 -0.118434 0.163147 6C 1f-2 0.034017 0.017655 0.374791 0.255566 0.231566 0.262766 6C 1f+3 0.000800 -0.245741 -0.235774 0.012415 -0.068996 -0.128809 6C 1f-3 0.225793 -0.066749 0.281490 0.145574 0.049547 0.175480 7C 1s 0.014442 -0.007504 0.018898 -0.018608 0.022640 -0.016617 7C 2s 0.032630 -0.023630 0.034848 -0.044724 0.052225 -0.027816 7C 3s 0.337317 0.285034 0.969764 -0.383173 0.582583 -1.346546 7C 4s -2.563565 -0.614443 -5.458479 2.831557 -3.957698 7.251116 7C 5s -0.442941 -0.263788 -1.131615 -0.272065 0.543906 1.710394 7C 1pz 0.008232 0.060016 0.053199 0.062225 -0.089271 -0.047003 7C 1px -0.011211 0.011250 0.009183 0.018085 -0.000569 -0.013091 7C 1py 0.004201 0.039294 0.032132 0.052897 -0.038366 -0.028825 7C 2pz 0.750528 -1.108243 1.252354 -2.428752 2.934886 -1.664947 7C 2px 0.318897 1.023320 -0.763550 1.833541 -2.678886 1.092055 7C 2py 0.500652 -0.239299 0.488615 -0.839023 0.717526 -0.620542 7C 3pz -0.252699 0.002308 -0.436394 -0.420640 0.720416 1.569845 7C 3px 0.145408 -0.040373 0.004249 -0.184236 -0.081180 0.165007 7C 3py -0.184280 0.028228 -0.313598 -0.308071 0.379113 1.060015 7C 1dz2 -0.029452 0.110591 0.045703 0.031275 -0.052523 -0.059510 7C 1dxz 0.190394 -0.202900 0.214635 -0.248632 0.273927 -0.302098 7C 1dyz -0.082670 0.078597 -0.072682 0.081322 -0.108677 0.050538 7C 1dx2y2 -0.157051 0.008965 -0.253333 0.171674 -0.206525 0.323245 7C 1dxy -0.014487 -0.117644 -0.086886 -0.001785 -0.017875 0.086598 7C 2dz2 0.393329 -0.196714 0.055309 -0.149024 0.097177 0.041564 7C 2dxz 0.255940 -0.389150 0.864550 -1.226131 1.643482 -0.994658 7C 2dyz 0.039059 -0.440134 -0.312218 -0.267795 0.186571 0.492296 7C 2dx2y2 -0.458690 0.157922 -0.857811 0.900289 -1.060883 0.934305 7C 2dxy -0.308719 -0.152529 -0.240949 -0.167676 0.301852 0.227527 7C 1f0 -0.106591 0.047802 -0.125754 0.087533 -0.032450 0.178103 7C 1f+1 0.090757 -0.173225 -0.272450 0.173724 -0.272825 0.264002 7C 1f-1 -0.054365 -0.083768 -0.083600 -0.136152 0.168592 0.067210 7C 1f+2 0.140182 -0.052777 0.303008 -0.183065 0.250195 -0.361981 7C 1f-2 0.164434 -0.150553 -0.093627 0.057071 -0.183739 0.090433 7C 1f+3 0.120064 -0.161836 0.078632 -0.114558 0.099930 -0.123340 7C 1f-3 -0.069761 -0.116367 -0.159419 0.000942 -0.019217 0.159035 8C 1s 0.007207 0.000123 0.010941 -0.001506 -0.000808 0.012921 8C 2s 0.014480 -0.007007 0.015377 0.008233 0.005242 0.015038 8C 3s -0.125524 0.235367 0.024713 -0.465015 -0.259850 0.174009 8C 4s 0.084748 -0.322598 -0.596899 0.631858 0.111435 -0.620542 8C 5s 0.831188 0.560250 2.423524 -1.880813 -1.677703 3.693491 8C 1pz 0.039925 -0.032353 0.019777 0.025491 0.006978 0.021367 8C 1px 0.011664 0.013494 0.020970 0.009346 0.018855 0.011187 8C 1py -0.058414 0.045474 -0.055115 -0.073002 -0.025865 -0.041747 8C 2pz -1.024251 0.289964 -0.559588 0.742697 0.883285 -0.971861 8C 2px 0.592246 -1.317395 -0.328290 0.575087 -0.030853 -0.388147 8C 2py 0.525538 0.587297 0.863241 -1.107100 -1.107708 1.424859 8C 3pz 0.145958 -0.129232 0.001528 0.211141 0.141310 -0.196128 8C 3px -0.239130 0.231093 -0.261219 -0.063156 0.099706 -0.270121 8C 3py 0.151364 -0.070928 0.327559 -0.142885 -0.150623 0.526637 8C 1dz2 -0.033852 0.018784 -0.008299 0.039041 0.061524 -0.033139 8C 1dxz 0.189847 -0.161171 0.073481 -0.004184 -0.111915 0.103854 8C 1dyz 0.134042 -0.274728 -0.076810 0.173302 0.051600 -0.106698 8C 1dx2y2 -0.091601 -0.048045 -0.137360 0.087646 0.064124 -0.141177 8C 1dxy -0.156098 0.055770 -0.096427 0.072658 0.122240 -0.131148 8C 2dz2 -0.099019 0.015278 -0.158975 -0.032778 0.046266 -0.143120 8C 2dxz 0.432923 -0.397988 0.032163 -0.220255 -0.416851 0.230298 8C 2dyz 0.172052 -0.630655 -0.339374 0.284331 0.061156 -0.383658 8C 2dx2y2 -0.269116 0.044212 -0.121209 0.409807 0.441159 -0.349329 8C 2dxy -0.289635 0.000148 -0.188023 0.336250 0.339869 -0.333827 8C 1f0 0.209503 -0.062058 0.157692 -0.101380 -0.135317 0.190663 8C 1f+1 0.256294 -0.229975 0.076407 -0.000336 -0.124335 0.106127 8C 1f-1 -0.025569 0.176181 0.132357 -0.142677 -0.047897 0.171865 8C 1f+2 -0.063605 -0.214514 -0.224520 0.375362 0.259242 -0.375584 8C 1f-2 -0.124084 -0.047382 -0.204930 0.172229 0.140146 -0.285965 8C 1f+3 -0.074731 0.086834 0.035774 0.045814 0.118545 -0.001830 8C 1f-3 -0.279965 0.337228 0.001810 -0.106832 0.058967 0.000182 9C 1s 0.004418 0.001665 0.008293 0.000543 -0.000905 -0.013895 9C 2s 0.012309 -0.005329 0.011523 -0.006675 0.008192 -0.019594 9C 3s -0.200709 0.254428 0.024584 0.329354 -0.437084 -0.047763 9C 4s 0.196097 -0.365764 -0.506114 -0.391033 0.706413 0.659215 9C 5s 0.255230 1.124688 1.804505 1.485611 -1.957651 -3.568099 9C 1pz 0.068389 -0.042727 0.036272 -0.043974 0.057929 -0.065840 9C 1px -0.001036 0.022273 0.016576 -0.004012 0.026130 -0.020197 9C 1py 0.028192 -0.019429 0.023662 -0.026968 0.031694 -0.037983 9C 2pz -0.296723 -0.583802 -0.628473 -0.880022 0.918011 1.056468 9C 2px 1.188407 -1.404613 -0.184572 -0.127679 -0.381866 0.115506 9C 2py 0.055661 -0.559781 -0.548036 -0.576721 0.528179 0.681232 9C 3pz -0.037694 -0.057652 -0.186425 -0.155906 0.221647 0.506038 9C 3px -0.337930 0.247462 -0.223294 0.101926 0.008519 0.316226 9C 3py -0.036539 -0.040855 -0.082486 -0.127415 0.174457 0.339092 9C 1dz2 -0.049963 0.123243 0.091231 0.074791 -0.035338 -0.087885 9C 1dxz 0.249831 -0.184449 0.072691 0.022992 -0.107308 -0.104370 9C 1dyz -0.140006 0.240608 0.099581 0.118064 -0.078219 -0.107558 9C 1dx2y2 -0.133782 0.074845 -0.057184 -0.009570 0.058070 0.090093 9C 1dxy 0.068988 -0.043853 -0.004329 0.031154 -0.077573 -0.026039 9C 2dz2 0.027130 0.172784 0.149835 0.249326 -0.201763 -0.215432 9C 2dxz 0.491810 -0.384711 0.039389 0.270887 -0.433161 -0.121120 9C 2dyz -0.300019 0.601787 0.312876 0.247183 -0.108077 -0.378997 9C 2dx2y2 -0.297586 0.275568 0.069888 -0.222032 0.443059 0.043854 9C 2dxy 0.120779 0.011460 0.081328 0.016495 -0.048091 -0.164367 9C 1f0 0.180809 -0.108514 0.044398 0.046131 -0.181706 -0.127019 9C 1f+1 0.080398 -0.080677 0.051444 -0.075807 0.073498 -0.058777 9C 1f-1 -0.140621 0.156422 0.007514 0.060573 -0.065775 -0.033483 9C 1f+2 -0.211529 0.042823 -0.159768 -0.164714 0.253160 0.264949 9C 1f-2 -0.237223 0.365143 0.156417 0.142620 -0.094739 -0.214567 9C 1f+3 -0.048387 -0.131910 -0.182193 -0.209401 0.242625 0.257360 9C 1f-3 0.307410 -0.312052 -0.011230 -0.061807 -0.002646 -0.001838 10H 1s -0.368746 -0.173587 0.147363 -0.219296 0.385735 -0.329474 10H 2s -0.938982 -0.708720 0.195526 -0.374262 0.758983 -0.542122 10H 3s 0.315958 0.051476 -0.378142 0.157849 -0.240287 0.572380 10H 1pz -0.217732 -0.133095 0.085749 -0.102617 0.203426 -0.192913 10H 1px 0.405678 0.234581 -0.164380 0.146176 -0.287799 0.320844 10H 1py -0.063661 -0.051779 0.019450 -0.050630 0.085537 -0.052238 11H 1s 0.242951 0.385325 0.139381 -0.153211 0.112121 -0.218251 11H 2s 0.551068 0.805983 0.238875 -0.191595 -0.002116 -0.365921 11H 3s -0.209494 -0.423543 -0.149170 0.283052 -0.242677 0.340006 11H 1pz 0.122585 0.219721 0.080096 -0.115983 0.084367 -0.147018 11H 1px 0.238927 0.337851 0.098135 -0.100903 0.028644 -0.140417 11H 1py -0.131494 -0.188674 -0.043620 0.086273 -0.072656 0.088879 12H 1s 0.191489 0.332201 0.176192 -0.194394 0.108777 -0.222945 12H 2s 0.458450 0.680979 0.369773 -0.275259 0.053794 -0.346548 12H 3s -0.142223 -0.352392 -0.266960 0.242346 -0.229946 0.375972 12H 1pz -0.046386 -0.080944 -0.039731 0.037692 -0.013900 0.047504 12H 1px 0.160727 0.228269 0.109796 -0.051027 -0.022478 -0.106230 12H 1py 0.177185 0.303355 0.176168 -0.184563 0.110374 -0.204864 13H 1s -0.431869 -0.221087 0.211272 0.257298 0.418030 0.335577 13H 2s -1.028814 -0.787009 0.342501 0.395288 0.790737 0.612312 13H 3s 0.404009 0.128125 -0.490322 -0.197673 -0.341158 -0.531816 13H 1pz -0.343973 -0.217524 0.160543 0.157088 0.279386 0.252277 13H 1px 0.377090 0.221765 -0.198943 -0.118039 -0.264473 -0.265196 13H 1py 0.157034 0.103460 -0.087116 -0.076262 -0.141185 -0.136114 14H 1s 0.055109 0.296816 0.201237 0.292108 0.154869 0.265501 14H 2s 0.149117 0.669208 0.353482 0.531039 0.154410 0.423467 14H 3s 0.040768 -0.304711 -0.321216 -0.355539 -0.261778 -0.431917 14H 1pz -0.022213 0.118323 0.089264 0.192334 0.116303 0.134977 14H 1px 0.079846 0.344735 0.212239 0.255311 0.083690 0.244520 14H 1py -0.006869 0.026037 0.030493 0.035129 0.031296 0.045397 15H 1s 0.138262 0.340783 0.185344 0.239824 0.125710 0.241506 15H 2s 0.400535 0.711076 0.319893 0.311311 0.053814 0.378525 15H 3s -0.128771 -0.347766 -0.202115 -0.365864 -0.288829 -0.351204 15H 1pz -0.150580 -0.280694 -0.099620 -0.181629 -0.078686 -0.151320 15H 1px 0.082920 0.130649 0.044234 0.041557 -0.011122 0.042515 15H 1py -0.105224 -0.243275 -0.133601 -0.196110 -0.107728 -0.186646 16H 1s -0.007290 -0.017393 -0.014012 0.031533 -0.005315 0.016090 16H 2s -0.039404 -0.027812 -0.022945 -0.052755 -0.035053 -0.143804 16H 3s 0.031425 -0.013028 0.004048 -0.025054 -0.028211 -0.034389 16H 1pz -0.014950 -0.014154 -0.018732 0.006874 -0.033247 -0.036582 16H 1px -0.000940 -0.000602 -0.013186 0.000251 0.011207 0.018066 16H 1py 0.001924 -0.009181 -0.006024 0.012618 -0.008694 -0.010138 17H 1s 0.012974 0.001976 -0.009132 -0.013111 0.013695 0.000846 17H 2s -0.033038 0.028538 -0.003531 0.044761 -0.032048 0.086884 17H 3s 0.038056 0.001697 0.022076 0.026084 -0.041409 0.025018 17H 1pz -0.003915 0.006837 0.011139 0.000074 -0.005558 -0.014220 17H 1px -0.015468 -0.015295 -0.016577 -0.025893 0.004896 -0.035115 17H 1py 0.006988 0.006715 -0.003460 0.010793 -0.004703 0.024706 18H 1s -0.013735 0.002311 -0.008561 0.012504 -0.013836 0.002664 18H 2s 0.038585 0.029507 -0.006690 -0.040922 0.044863 0.077594 18H 3s -0.038545 0.002287 0.021863 -0.025914 0.042778 0.020475 18H 1pz -0.003779 -0.006200 -0.011227 0.000260 -0.003594 0.014575 18H 1px -0.014425 0.016204 0.016017 -0.025279 0.009305 0.033028 18H 1py 0.006633 -0.006818 0.003485 0.010530 -0.007142 -0.022719 19H 1s 0.006534 -0.017798 -0.013788 -0.032661 0.006094 0.016737 19H 2s 0.045005 -0.027220 -0.025582 0.059830 0.025602 -0.150805 19H 3s -0.031052 -0.012444 0.004424 0.025562 0.024060 -0.037480 19H 1pz -0.016426 0.014229 0.019525 0.005048 -0.030232 0.039692 19H 1px -0.000016 0.000461 0.012903 0.000559 0.009749 -0.019741 19H 1py 0.001446 0.009690 0.006638 0.013114 -0.008249 0.011707 20H 1s -0.122892 0.346825 0.186306 -0.237735 -0.094853 0.248597 20H 2s -0.367730 0.723691 0.324267 -0.307060 -0.004039 0.376960 20H 3s 0.111692 -0.355840 -0.204513 0.361917 0.244156 -0.371543 20H 1pz -0.137624 0.285638 0.101193 -0.179359 -0.058361 0.155651 20H 1px 0.077685 -0.135731 -0.046329 0.041561 -0.016829 -0.042854 20H 1py -0.093396 0.246889 0.134517 -0.193528 -0.083401 0.192484 21H 1s -0.040074 0.301018 0.201336 -0.286651 -0.120910 0.276198 21H 2s -0.113017 0.674574 0.356314 -0.515542 -0.096252 0.434930 21H 3s -0.056031 -0.308378 -0.319502 0.351762 0.210560 -0.450266 21H 1pz -0.028519 -0.121010 -0.090790 0.190342 0.098937 -0.145613 21H 1px 0.062263 -0.347375 -0.211980 0.248324 0.051527 -0.248795 21H 1py -0.007225 -0.027968 -0.030587 0.035606 0.025956 -0.048166 22H 1s 0.420826 -0.226791 0.209992 -0.259914 -0.380525 0.368154 22H 2s 0.986117 -0.805175 0.336074 -0.406817 -0.725591 0.672284 22H 3s -0.399025 0.134639 -0.489052 0.200172 0.282343 -0.557800 22H 1pz -0.330035 0.221514 -0.157732 0.158835 0.249961 -0.271562 22H 1px 0.367108 -0.229195 0.198180 -0.122297 -0.236998 0.286575 22H 1py 0.152890 -0.107213 0.086854 -0.079507 -0.128152 0.147848 23H 1s -0.191334 0.337821 0.178894 0.188240 -0.119298 -0.210762 23H 2s -0.460327 0.689245 0.374677 0.257266 -0.065142 -0.343583 23H 3s 0.142914 -0.358474 -0.268079 -0.236427 0.253587 0.349261 23H 1pz -0.049168 0.085047 0.040589 0.037384 -0.016696 -0.046030 23H 1px 0.158087 -0.227153 -0.107694 -0.045292 -0.018063 0.105515 23H 1py 0.179364 -0.309894 -0.179798 -0.178416 0.119192 0.194531 24H 1s -0.237604 0.391756 0.142732 0.151648 -0.122974 -0.207002 24H 2s -0.539243 0.817784 0.245125 0.189261 -0.016066 -0.368932 24H 3s 0.201707 -0.430517 -0.155889 -0.278883 0.260880 0.316763 24H 1pz 0.117664 -0.221207 -0.082176 -0.114897 0.091360 0.138016 24H 1px 0.237065 -0.347481 -0.102602 -0.099707 0.035203 0.141171 24H 1py -0.124752 0.187058 0.044447 0.084073 -0.075121 -0.080134 25H 1s 0.371803 -0.180189 0.151550 0.222934 -0.406726 -0.287344 25H 2s 0.939208 -0.727452 0.199842 0.388330 -0.791576 -0.454561 25H 3s -0.318574 0.059720 -0.382476 -0.159701 0.279850 0.543047 25H 1pz -0.221042 0.138667 -0.087893 -0.107675 0.217547 0.170701 25H 1px 0.406649 -0.243025 0.166983 0.150484 -0.308290 -0.287451 25H 1py -0.058801 0.049727 -0.018561 -0.049351 0.084143 0.039729 26O 1s -0.012783 -0.002669 0.010424 0.006384 -0.003920 -0.007475 26O 2s -0.046482 -0.004016 0.042310 0.022171 -0.014420 -0.030745 26O 3s 0.474528 -0.076727 -0.539890 -0.214939 0.164345 0.415719 26O 4s -1.126078 0.421827 1.467709 0.482033 -0.395984 -1.130395 26O 5s -0.743947 0.436221 0.713652 -0.081306 0.267919 -0.986948 26O 1pz -0.024010 0.002866 0.033140 0.016216 -0.063684 -0.042880 26O 1px -0.153118 0.003375 0.119147 0.030677 -0.045185 -0.154996 26O 1py -0.051667 0.009989 0.060107 0.032459 -0.058747 -0.081054 26O 2pz 0.052657 -0.083706 -0.142845 -0.096475 0.292207 0.185105 26O 2px 0.690681 -0.328020 -0.804578 -0.117938 0.175485 0.917613 26O 2py 0.217024 -0.191185 -0.376314 -0.149743 0.251241 0.437382 26O 3pz 0.119050 0.169279 -0.223760 -0.296687 0.089880 0.224707 26O 3px 0.457205 -0.055682 -0.392807 -0.114053 -0.154854 0.500978 26O 3py 0.350217 0.033292 -0.264687 -0.137905 0.041904 0.385698 26O 1dz2 -0.006691 0.018630 0.008644 -0.003884 -0.015111 -0.028934 26O 1dxz -0.021886 -0.024532 -0.013780 -0.005021 0.017299 0.006443 26O 1dyz -0.015417 -0.018255 0.008014 0.014043 -0.006397 -0.024638 26O 1dx2y2 -0.000493 -0.011906 -0.008090 0.002263 -0.008542 0.006384 26O 1dxy -0.021260 -0.024810 -0.012813 -0.002037 0.002815 0.000356 26O 2dz2 0.100525 -0.060050 -0.151785 -0.039798 0.029788 0.169573 26O 2dxz 0.018380 0.074876 0.075473 0.033514 -0.090149 -0.030351 26O 2dyz -0.000275 0.037471 0.050951 0.018656 -0.050262 -0.024374 26O 2dx2y2 -0.172418 0.053042 0.186823 0.019397 -0.010404 -0.238222 26O 2dxy -0.115661 0.131338 0.214282 0.057897 -0.104542 -0.229270 26O 1f0 0.002824 -0.012195 -0.019793 -0.013101 0.033630 0.022740 26O 1f+1 -0.000555 -0.022311 -0.003805 0.015399 -0.019787 0.020430 26O 1f-1 -0.025008 -0.018020 -0.004631 -0.031867 0.046734 0.007336 26O 1f+2 0.038695 0.044911 0.012095 -0.010621 -0.006290 -0.019207 26O 1f-2 -0.014658 -0.013986 0.029258 0.045704 -0.050673 -0.018035 26O 1f+3 0.023391 0.013177 -0.004013 0.000467 -0.011845 0.004885 26O 1f-3 0.027531 -0.003665 -0.036151 -0.027858 0.032811 0.036335 27O 1s -0.012441 -0.002990 0.011347 -0.008437 -0.000948 0.000971 27O 2s -0.046869 -0.005196 0.046042 -0.029189 -0.003458 0.004147 27O 3s 0.517181 -0.062016 -0.592860 0.276836 0.035671 -0.084379 27O 4s -1.282181 0.395841 1.612938 -0.606310 -0.089613 0.187963 27O 5s -1.140681 0.464536 0.843521 0.119612 0.383492 0.425621 27O 1pz 0.009229 0.007753 0.004358 -0.011871 -0.041432 0.004328 27O 1px -0.172399 -0.001072 0.152219 -0.065046 -0.034318 0.070951 27O 1py 0.043522 0.001750 -0.060115 0.041147 0.039585 -0.041359 27O 2pz -0.073665 -0.033861 0.020315 0.067754 0.189279 -0.002142 27O 2px 0.885676 -0.335644 -1.007407 0.220042 0.068486 -0.394557 27O 2py -0.161251 0.106536 0.304043 -0.180796 -0.180053 0.170701 27O 3pz -0.032207 0.160470 -0.143202 0.223130 -0.038875 -0.058555 27O 3px 0.659609 -0.042858 -0.527791 0.218492 -0.302259 -0.225859 27O 3py -0.214946 -0.129651 0.271258 -0.292539 0.001175 0.177143 27O 1dz2 0.002302 0.025290 0.001109 0.013829 -0.007692 -0.000058 27O 1dxz -0.012048 -0.010851 -0.002307 0.004801 0.011812 0.000923 27O 1dyz 0.018240 0.005535 -0.016997 0.010673 0.008303 -0.033426 27O 1dx2y2 0.000786 -0.016361 -0.019282 0.002114 -0.004000 -0.012631 27O 1dxy 0.023520 0.031475 0.013350 0.002208 -0.007508 -0.005383 27O 2dz2 0.146520 -0.068251 -0.205479 0.050509 0.010040 -0.085235 27O 2dxz 0.069426 0.027742 -0.021006 -0.019768 -0.069050 -0.055585 27O 2dyz 0.015160 -0.006803 -0.011574 0.000462 0.015468 -0.002490 27O 2dx2y2 -0.243045 0.089620 0.287321 -0.064620 0.002139 0.135189 27O 2dxy 0.064899 -0.114703 -0.169233 0.051251 0.072700 -0.056659 27O 1f0 -0.001639 -0.007637 -0.004595 -0.017013 -0.002214 -0.004821 27O 1f+1 0.024847 0.003764 -0.033428 0.025314 0.011004 -0.013345 27O 1f-1 0.002090 0.016129 0.019851 -0.018279 -0.031058 0.009270 27O 1f+2 0.031939 0.020776 0.003601 -0.026961 -0.036641 0.003207 27O 1f-2 0.020441 0.040479 -0.011309 0.058426 0.033860 0.021599 27O 1f+3 0.006860 -0.015230 -0.004246 0.005360 -0.000714 0.000053 27O 1f-3 -0.001510 0.020195 0.046699 -0.034352 -0.031147 0.031241 28O 1s -0.009617 -0.007608 0.016010 0.016703 -0.024937 -0.012085 28O 2s -0.039625 -0.031481 0.068004 0.070929 -0.103316 -0.054559 28O 3s 0.465136 0.353747 -0.913084 -0.925583 1.324424 0.800611 28O 4s -1.151090 -0.890289 2.746698 2.748956 -3.930858 -2.519918 28O 5s -0.282384 -0.270887 1.305828 2.066840 -2.890107 -1.481379 28O 1pz -0.133556 -0.102044 0.165952 0.232372 -0.273473 -0.206216 28O 1px 0.103831 0.085571 -0.175528 -0.243182 0.307704 0.191816 28O 1py -0.035704 -0.038927 0.028931 0.059840 -0.044453 -0.047508 28O 2pz 0.647704 0.485902 -1.128877 -1.361569 1.746354 1.334785 28O 2px -0.485493 -0.361869 1.309196 1.503485 -2.035203 -1.399204 28O 2py 0.180925 0.190633 -0.167540 -0.304886 0.269140 0.262230 28O 3pz 0.192203 0.282950 -0.588171 -0.406146 0.843173 0.642692 28O 3px -0.077594 -0.186015 0.567383 0.749827 -1.238589 -0.624731 28O 3py 0.184651 0.166676 -0.192630 0.125884 0.082550 0.131728 28O 1dz2 0.013108 0.008710 -0.008180 -0.002913 -0.012815 0.011480 28O 1dxz -0.020373 -0.009701 0.034434 0.013606 -0.025784 -0.041670 28O 1dyz 0.008331 0.013641 -0.006417 0.001839 -0.004107 -0.009470 28O 1dx2y2 -0.010866 -0.007305 -0.009859 -0.020977 0.018049 0.017957 28O 1dxy -0.009855 0.001746 0.008174 0.005542 0.000614 -0.020980 28O 2dz2 -0.148593 -0.110132 0.076208 0.091177 -0.084384 -0.090773 28O 2dxz 0.257842 0.195572 -0.494777 -0.544172 0.719134 0.563701 28O 2dyz -0.109556 -0.088200 0.076067 0.113213 -0.101520 -0.078396 28O 2dx2y2 -0.071386 -0.044894 0.294656 0.300254 -0.447060 -0.324253 28O 2dxy 0.099769 0.114452 -0.073210 -0.089621 0.089806 0.070319 28O 1f0 -0.018774 -0.006574 -0.004156 -0.019988 0.041365 -0.000347 28O 1f+1 0.073512 0.049285 -0.034837 -0.021838 0.016108 0.059282 28O 1f-1 -0.025020 -0.008354 0.032188 0.021308 -0.012433 -0.025413 28O 1f+2 -0.027010 -0.031636 0.031075 0.049976 -0.062079 -0.041598 28O 1f-2 0.053657 0.047168 -0.016370 -0.019849 0.017069 0.019916 28O 1f+3 -0.006251 -0.009026 0.019736 0.025555 -0.047565 -0.016536 28O 1f-3 0.009574 0.007283 0.000229 0.000825 -0.014717 0.016306 29O 1s -0.003909 -0.001416 -0.003882 -0.001312 0.002681 -0.000232 29O 2s -0.013482 -0.004881 -0.012373 -0.004839 0.009621 -0.001047 29O 3s 0.125423 0.042731 0.094489 0.052081 -0.103097 0.014554 29O 4s -0.312818 -0.091958 -0.109131 -0.126048 0.319583 -0.062662 29O 5s 0.516100 0.153848 -0.104160 0.103585 -0.618708 0.170177 29O 1pz 0.020186 0.011203 0.028535 -0.011920 0.017833 -0.006340 29O 1px -0.010726 -0.013331 -0.063697 -0.007615 -0.002560 0.011024 29O 1py 0.003396 -0.000286 -0.006658 -0.014834 -0.008915 -0.004376 29O 2pz -0.066339 -0.037715 -0.079550 0.022773 -0.064962 -0.035253 29O 2px 0.029073 0.031202 0.146020 0.010739 0.003983 -0.041333 29O 2py -0.004502 -0.000687 0.012658 0.050539 0.009159 0.017797 29O 3pz 0.080527 -0.017754 0.006255 -0.060393 -0.035894 -0.095208 29O 3px -0.171907 -0.060812 -0.002375 -0.045818 0.224827 -0.060127 29O 3py -0.031634 -0.004805 -0.012752 -0.041249 -0.017668 -0.036306 29O 1dz2 -0.000248 -0.004330 0.002764 -0.004650 0.000786 -0.003191 29O 1dxz 0.000275 0.008412 0.006161 0.001771 -0.000862 0.001938 29O 1dyz -0.001623 0.007423 -0.000525 -0.004156 -0.005931 -0.000483 29O 1dx2y2 0.001503 0.002178 -0.010226 -0.000653 -0.000331 0.001479 29O 1dxy -0.002209 -0.002248 -0.004651 0.000791 0.003794 0.004036 29O 2dz2 0.002274 0.009068 0.016423 -0.015701 0.018301 0.009349 29O 2dxz -0.004399 0.005044 0.015420 -0.003011 0.009548 -0.015125 29O 2dyz 0.013630 0.021294 0.013252 0.000914 0.011232 0.033787 29O 2dx2y2 0.002934 -0.007640 -0.024392 0.002799 -0.013141 0.001848 29O 2dxy 0.001569 -0.002608 -0.014819 0.001079 0.001923 0.017972 29O 1f0 -0.004832 -0.000621 -0.004575 -0.000520 -0.001382 0.003200 29O 1f+1 0.004158 -0.002626 0.003916 0.002381 0.002580 0.012074 29O 1f-1 0.004861 0.004372 0.006319 -0.007539 0.002872 -0.002492 29O 1f+2 0.002600 0.012139 0.011278 0.002856 -0.011807 -0.004875 29O 1f-2 -0.001439 0.001219 0.004078 -0.001831 -0.005742 -0.004903 29O 1f+3 0.008607 0.007123 0.024052 -0.000330 -0.004738 -0.001502 29O 1f-3 0.002053 0.003456 -0.000360 -0.004213 -0.000492 -0.005512 30O 1s -0.007841 -0.008919 0.018943 -0.021947 -0.017709 0.008022 30O 2s -0.033597 -0.037318 0.081234 -0.092724 -0.071916 0.038197 30O 3s 0.428742 0.438412 -1.100880 1.196712 0.889937 -0.596443 30O 4s -1.120048 -1.167097 3.308351 -3.525898 -2.612735 1.923700 30O 5s -0.581348 -0.254954 1.735133 -2.438265 -1.880130 1.361468 30O 1pz -0.101725 -0.095013 0.158941 -0.226302 -0.132650 0.120177 30O 1px 0.078703 0.079468 -0.207093 0.265560 0.186579 -0.142022 30O 1py 0.104721 0.100496 -0.184973 0.252853 0.128915 -0.138088 30O 2pz 0.526997 0.471835 -1.081415 1.324040 0.852522 -0.807137 30O 2px -0.446484 -0.391681 1.504720 -1.660392 -1.196520 1.059036 30O 2py -0.557604 -0.515314 1.194090 -1.457940 -0.848475 0.902988 30O 3pz 0.157724 0.215616 -0.548972 0.440948 0.428589 -0.417458 30O 3px -0.109296 -0.148149 0.631570 -0.887118 -0.784362 0.488673 30O 3py -0.286963 -0.330664 0.634268 -0.315800 -0.539818 0.382244 30O 1dz2 0.002021 -0.003091 0.004222 0.000645 -0.009205 -0.003473 30O 1dxz -0.013474 -0.009174 0.029889 -0.013557 -0.019164 0.020129 30O 1dyz -0.007343 -0.016186 0.019601 -0.014567 0.001951 0.009113 30O 1dx2y2 -0.019035 -0.012570 0.003452 0.011660 0.011199 -0.004819 30O 1dxy 0.019914 0.003840 -0.033844 0.019390 -0.001066 -0.041978 30O 2dz2 -0.001288 -0.016304 -0.120753 0.096857 0.076044 -0.094685 30O 2dxz 0.175772 0.150186 -0.430668 0.477812 0.318643 -0.330661 30O 2dyz 0.223110 0.190795 -0.343739 0.414772 0.231987 -0.236715 30O 2dx2y2 0.056115 0.069977 0.133539 -0.095412 -0.135559 0.116074 30O 2dxy -0.198298 -0.191824 0.470035 -0.492806 -0.329966 0.333666 30O 1f0 0.030540 0.026063 -0.055913 0.049783 0.028023 -0.036040 30O 1f+1 0.011475 0.006810 0.000596 -0.001451 -0.008969 -0.008656 30O 1f-1 0.011598 0.015581 -0.008325 0.029925 0.013773 0.003141 30O 1f+2 0.025728 0.008531 -0.012235 -0.013291 -0.024019 -0.004273 30O 1f-2 -0.063293 -0.063527 0.053837 -0.069809 -0.041961 0.035703 30O 1f+3 0.050750 0.037188 -0.016724 0.002504 -0.029597 -0.029632 30O 1f-3 0.013513 0.000646 0.018919 -0.029062 -0.026845 0.024570 31O 1s 0.007516 -0.009367 0.018829 0.021640 0.018287 0.006503 31O 2s 0.032164 -0.039184 0.080751 0.091347 0.074800 0.031967 31O 3s -0.411205 0.461410 -1.094773 -1.177715 -0.937986 -0.518212 31O 4s 1.073139 -1.229516 3.291457 3.468571 2.771896 1.692775 31O 5s 0.556574 -0.290750 1.720560 2.397489 1.991036 1.181471 31O 1pz -0.097477 0.099398 -0.158335 -0.222517 -0.142212 -0.108605 31O 1px 0.075182 -0.084293 0.205766 0.261578 0.198339 0.125216 31O 1py 0.100455 -0.105080 0.184100 0.248959 0.140013 0.127069 31O 2pz 0.505315 -0.495735 1.076697 1.300827 0.919346 0.731002 31O 2px -0.428651 0.419101 -1.496367 -1.633372 -1.287897 -0.949895 31O 2py -0.535019 0.540561 -1.188029 -1.433076 -0.923194 -0.827419 31O 3pz 0.151400 -0.225356 0.545105 0.433667 0.464522 0.379980 31O 3px -0.100425 0.159991 -0.626089 -0.873054 -0.823275 -0.415311 31O 3py -0.278224 0.346138 -0.630389 -0.309710 -0.571665 -0.335307 31O 1dz2 -0.002433 -0.003155 0.004050 -0.000686 0.008919 -0.004489 31O 1dxz 0.013184 -0.009806 0.029748 0.013223 0.021073 0.018301 31O 1dyz 0.006514 -0.016424 0.019547 0.013902 -0.001080 0.009217 31O 1dx2y2 0.018516 -0.012911 0.003453 -0.011600 -0.011592 -0.003799 31O 1dxy -0.019657 0.004248 -0.033705 -0.018721 -0.003035 -0.041913 31O 2dz2 0.000102 -0.015088 -0.119912 -0.095859 -0.085186 -0.087281 31O 2dxz -0.168647 0.158670 -0.428534 -0.469059 -0.346741 -0.301915 31O 2dyz -0.214167 0.199474 -0.341779 -0.406953 -0.250888 -0.215709 31O 2dx2y2 -0.052740 0.069667 0.133057 0.094535 0.146969 0.103729 31O 2dxy 0.190083 -0.201602 0.467258 0.484013 0.358002 0.303556 31O 1f0 0.029201 -0.027251 0.055568 0.048813 0.031196 0.033460 31O 1f+1 0.011031 -0.007032 -0.000441 -0.001786 -0.008094 0.009384 31O 1f-1 0.011556 -0.016280 0.008528 0.029342 0.012548 -0.003584 31O 1f+2 0.025735 -0.009059 0.012402 -0.013388 -0.023532 0.006399 31O 1f-2 -0.060597 0.065767 -0.053385 -0.068064 -0.044056 -0.032303 31O 1f+3 0.048970 -0.038115 0.016483 0.002039 -0.026797 0.032142 31O 1f-3 0.013355 -0.000345 -0.018670 -0.028699 -0.029084 -0.021881 32O 1s 0.003900 -0.001464 -0.003881 0.001394 -0.002660 -0.000025 32O 2s 0.013437 -0.005046 -0.012363 0.005106 -0.009578 -0.000276 32O 3s -0.124694 0.044256 0.094090 -0.054096 0.103363 0.005580 32O 4s 0.312265 -0.094928 -0.107306 0.130318 -0.322290 -0.033805 32O 5s -0.525296 0.154862 -0.105920 -0.115733 0.624313 0.120415 32O 1pz 0.019975 -0.011924 -0.028602 -0.011915 0.018282 0.004911 32O 1px -0.009931 0.013673 0.063911 -0.007613 -0.003699 -0.010911 32O 1py 0.003815 0.000235 0.006676 -0.015208 -0.008170 0.005246 32O 2pz -0.066641 0.040018 0.080065 0.021788 -0.061106 0.040311 32O 2px 0.028075 -0.031808 -0.147094 0.011392 0.009141 0.039844 32O 2py -0.006694 0.000935 -0.011836 0.050530 0.005694 -0.016392 32O 3pz 0.080811 0.016297 -0.006615 -0.061836 -0.025753 0.098038 32O 3px -0.171770 0.062031 0.000715 -0.046660 0.228569 0.037852 32O 3py -0.035039 0.004844 0.014309 -0.047171 -0.015912 0.043752 32O 1dz2 0.000069 -0.004565 0.002775 0.004963 -0.001442 -0.003367 32O 1dxz -0.000270 0.008357 0.006223 -0.001875 0.000984 0.001688 32O 1dyz 0.001944 0.007329 -0.000646 0.004089 0.006016 -0.001011 32O 1dx2y2 -0.001602 0.002112 -0.010083 0.000880 0.000277 0.001208 32O 1dxy 0.001817 -0.002341 -0.004666 -0.001037 -0.003541 0.004422 32O 2dz2 -0.002091 0.008383 0.016388 0.015731 -0.017379 0.009571 32O 2dxz 0.004426 0.004683 0.015652 0.002686 -0.010957 -0.014294 32O 2dyz -0.013714 0.022004 0.013588 -0.000918 -0.008246 0.034530 32O 2dx2y2 -0.002851 -0.008033 -0.024730 -0.002319 0.013484 -0.000489 32O 2dxy -0.001524 -0.002674 -0.015138 -0.000929 0.000137 0.017128 32O 1f0 -0.005046 0.000878 0.005132 0.000149 -0.002215 -0.003475 32O 1f+1 0.004507 0.002490 -0.003665 0.002299 0.001463 -0.012119 32O 1f-1 0.004593 -0.004802 -0.006564 -0.007742 0.002596 0.002411 32O 1f+2 0.001968 -0.011866 -0.010659 0.003106 -0.011488 0.005971 32O 1f-2 -0.001794 -0.001122 -0.003631 -0.001655 -0.005405 0.004766 32O 1f+3 0.007918 -0.007417 -0.023951 0.000004 -0.005468 0.001997 32O 1f-3 0.001965 -0.003710 -0.000189 -0.004184 0.000170 0.005148 33O 1s 0.009418 -0.008202 0.015741 -0.016575 0.023662 -0.014413 33O 2s 0.038779 -0.033928 0.066884 -0.070294 0.097735 -0.064132 33O 3s -0.454253 0.383505 -0.899066 0.916219 -1.246255 0.922557 33O 4s 1.115577 -0.970033 2.706334 -2.720796 3.691581 -2.882281 33O 5s 0.272994 -0.316962 1.274181 -2.040555 2.751423 -1.747776 33O 1pz -0.131302 0.109655 -0.162609 0.229274 -0.252818 0.230824 33O 1px 0.101220 -0.092576 0.172221 -0.240698 0.289240 -0.220225 33O 1py -0.035109 0.040065 -0.028891 0.059270 -0.039954 0.052273 33O 2pz 0.633581 -0.526245 1.108747 -1.342530 1.617616 -1.492152 33O 2px -0.468366 0.400872 -1.288930 1.487956 -1.906659 1.587035 33O 2py 0.178763 -0.197591 0.167205 -0.301573 0.245133 -0.290461 33O 3pz 0.182515 -0.300690 0.579869 -0.400943 0.781319 -0.722634 33O 3px -0.069674 0.204218 -0.555041 0.741556 -1.179115 0.739465 33O 3py 0.178457 -0.174781 0.192987 0.122366 0.071229 -0.139371 33O 1dz2 -0.013265 0.008861 -0.008185 0.002548 0.013530 0.010067 33O 1dxz 0.020038 -0.010530 0.034225 -0.013190 0.022345 -0.043652 33O 1dyz -0.008112 0.013786 -0.006422 -0.002098 0.003191 -0.009963 33O 1dx2y2 0.010918 -0.007369 -0.009658 0.020623 -0.016577 0.019690 33O 1dxy 0.010509 0.001410 0.008367 -0.005131 -0.002583 -0.021042 33O 2dz2 0.148693 -0.115348 0.073878 -0.087769 0.074135 -0.096072 33O 2dxz -0.252593 0.212312 -0.486774 0.536412 -0.665893 0.628674 33O 2dyz 0.110097 -0.092192 0.075814 -0.111391 0.093958 -0.088413 33O 2dx2y2 0.066834 -0.052502 0.290458 -0.297827 0.417756 -0.365545 33O 2dxy -0.098393 0.117903 -0.073281 0.088554 -0.083484 0.079733 33O 1f0 -0.018584 0.006165 0.004137 -0.019935 0.040759 -0.004256 33O 1f+1 0.073657 -0.051685 0.034345 -0.020792 0.010358 -0.059982 33O 1f-1 -0.025750 0.009307 -0.032166 0.020596 -0.009835 0.026614 33O 1f+2 -0.026415 0.033240 -0.030127 0.049048 -0.057955 0.046944 33O 1f-2 0.054118 -0.048891 0.016547 -0.018893 0.013946 -0.022190 33O 1f+3 -0.004961 0.009445 -0.019065 0.025601 -0.045856 0.020753 33O 1f-3 0.009849 -0.007321 0.000131 0.001127 -0.015748 -0.014802 34O 1s 0.012513 -0.003300 0.011414 0.008374 0.000933 0.001097 34O 2s 0.047498 -0.006331 0.046329 0.029044 0.003488 0.004695 34O 3s -0.530885 -0.050164 -0.596598 -0.276833 -0.040781 -0.091407 34O 4s 1.332411 0.368095 1.623922 0.612318 0.101590 0.208135 34O 5s 1.167296 0.447741 0.855212 -0.126187 -0.348211 0.475489 34O 1pz 0.008438 -0.007334 -0.004272 -0.011985 -0.041656 -0.000875 34O 1px -0.175467 0.005124 -0.153080 -0.064133 -0.039229 -0.070934 34O 1py 0.044285 -0.002786 0.060135 0.040724 0.043171 0.038552 34O 2pz -0.071015 0.032657 -0.020762 0.068050 0.188139 -0.014088 34O 2px 0.919937 0.317261 1.014316 0.221161 0.100889 0.405609 34O 2py -0.171019 -0.102672 -0.305291 -0.180829 -0.194964 -0.158902 34O 3pz -0.037174 -0.159120 0.141665 0.223375 -0.032920 0.061551 34O 3px 0.671558 0.031969 0.533485 0.218603 -0.281951 0.261489 34O 3py -0.215925 0.136098 -0.271631 -0.292355 -0.014331 -0.177829 34O 1dz2 -0.001074 0.025269 0.001176 -0.013504 0.007744 -0.000873 34O 1dxz 0.011659 -0.010999 -0.002302 -0.004760 -0.011749 0.001862 34O 1dyz -0.017817 0.006101 -0.016886 -0.010117 -0.011425 -0.032489 34O 1dx2y2 -0.001771 -0.016523 -0.019460 -0.002294 0.002592 -0.013169 34O 1dxy -0.021740 0.032007 0.013393 -0.001489 0.007492 -0.006005 34O 2dz2 -0.152974 -0.065280 -0.206616 -0.050768 -0.017864 -0.087386 34O 2dxz -0.067765 0.028420 -0.021065 0.020588 0.063459 -0.061158 34O 2dyz -0.015147 -0.006111 -0.011566 0.000057 -0.015577 -0.001487 34O 2dx2y2 0.252332 0.084519 0.289073 0.064673 0.009677 0.139500 34O 2dxy -0.072513 -0.113058 -0.170228 -0.052051 -0.078087 -0.052622 34O 1f0 -0.001403 0.007595 0.004520 -0.017144 -0.001699 0.004859 34O 1f+1 0.025427 -0.004537 0.033435 0.025410 0.011969 0.012768 34O 1f-1 0.000955 -0.015341 -0.019802 -0.018377 -0.031792 -0.006564 34O 1f+2 0.030870 -0.021283 -0.003723 -0.026920 -0.036770 -0.000221 34O 1f-2 0.018727 -0.041604 0.011135 0.057710 0.030720 -0.024100 34O 1f+3 0.007923 0.015263 0.004778 0.005108 -0.001113 0.000789 34O 1f-3 -0.002727 -0.019936 -0.046666 -0.034374 -0.034194 -0.028638 35O 1s 0.013048 -0.003086 0.010450 -0.006337 0.003012 -0.007957 35O 2s 0.047688 -0.005569 0.042463 -0.022058 0.010704 -0.032601 35O 3s -0.491185 -0.060010 -0.542551 0.214889 -0.115860 0.437733 35O 4s 1.175754 0.381070 1.476534 -0.485769 0.262910 -1.186960 35O 5s 0.790810 0.410104 0.730084 0.091595 -0.376924 -0.973006 35O 1pz -0.023806 -0.001489 -0.032699 0.016436 -0.059108 0.049007 35O 1px -0.158307 0.001976 -0.119904 0.029500 -0.027283 0.160560 35O 1py -0.054387 -0.007126 -0.060548 0.032104 -0.049029 0.088322 35O 2pz 0.052942 0.078212 0.140981 -0.098073 0.271330 -0.213964 35O 2px 0.724784 0.302340 0.811515 -0.116543 0.072698 -0.943508 35O 2py 0.232814 0.179094 0.379846 -0.150255 0.200150 -0.469778 35O 3pz 0.116314 -0.172001 0.221863 -0.296771 0.070029 -0.231511 35O 3px 0.474545 0.042862 0.398750 -0.110785 -0.207325 -0.491014 35O 3py 0.357185 -0.042716 0.265481 -0.135697 0.005121 -0.387556 35O 1dz2 0.007159 0.018214 0.008621 0.004114 0.012442 -0.030189 35O 1dxz 0.021881 -0.024731 -0.013563 0.005427 -0.016999 0.008157 35O 1dyz 0.014918 -0.018760 0.008012 -0.013704 0.004235 -0.025143 35O 1dx2y2 -0.000064 -0.011861 -0.008237 -0.001977 0.009066 0.005672 35O 1dxy 0.021085 -0.025472 -0.013004 0.002553 -0.002743 0.001018 35O 2dz2 -0.106392 -0.056296 -0.153246 0.039834 -0.011308 0.174278 35O 2dxz -0.018179 0.073788 0.074919 -0.035446 0.085967 -0.039867 35O 2dyz 0.000782 0.036339 0.050892 -0.019216 0.047265 -0.030213 35O 2dx2y2 0.179265 0.047044 0.187942 -0.018760 -0.014174 -0.239699 35O 2dxy 0.124159 0.125755 0.216188 -0.058004 0.078848 -0.242826 35O 1f0 0.002291 0.012115 0.019439 -0.013186 0.031478 -0.025850 35O 1f+1 0.000491 0.022590 0.004477 0.015461 -0.021819 -0.019093 35O 1f-1 -0.025156 0.018127 0.004619 -0.032097 0.045417 -0.012394 35O 1f+2 0.039082 -0.045588 -0.011987 -0.009725 -0.005545 0.019477 35O 1f-2 -0.014975 0.015541 -0.028580 0.045674 -0.048203 0.022925 35O 1f+3 0.023551 -0.013879 0.003779 0.000288 -0.012249 -0.003238 35O 1f-3 0.028454 0.002526 0.036044 -0.027630 0.028396 -0.039831 606 607 608 609 610 611 4.57291 4.59189 4.61405 4.63306 4.76268 4.76423 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s 0.000413 0.000044 -0.007270 0.001699 -0.000938 -0.000837 0Rh 2s -0.004252 -0.000575 0.062546 -0.014574 0.008141 0.007503 0Rh 3s -0.000065 -0.000079 -0.006214 0.001482 -0.000774 -0.000544 0Rh 4s 0.024390 0.003303 -0.361359 0.084277 -0.047388 -0.043609 0Rh 5s -0.062025 -0.009112 0.880532 -0.205735 0.117247 0.108597 0Rh 6s 0.081637 0.016062 -0.942953 0.222238 -0.128878 -0.123297 0Rh 7s 0.052272 -0.003953 1.961144 -0.484021 0.291269 0.309772 0Rh 8s -0.165784 -0.040099 0.168412 -0.060340 -0.043634 0.041430 0Rh 1pz -0.002948 -0.000535 0.004314 -0.002395 -0.015351 -0.016120 0Rh 1px 0.002044 0.000148 0.003169 0.000521 -0.001516 -0.008493 0Rh 1py -0.000590 -0.000854 -0.001984 -0.004709 -0.018397 0.015422 0Rh 2pz 0.011639 0.002057 -0.017283 0.009602 0.062074 0.065290 0Rh 2px -0.008253 -0.000625 -0.013105 -0.002007 0.006103 0.034323 0Rh 2py 0.002433 0.003265 0.007924 0.019003 0.074471 -0.062391 0Rh 3pz -0.026293 -0.003191 0.045492 -0.025247 -0.174765 -0.186215 0Rh 3px 0.023296 0.002348 0.043190 0.003626 -0.016546 -0.096178 0Rh 3py -0.008071 -0.004689 -0.020151 -0.052748 -0.211425 0.176139 0Rh 4pz -0.000712 -0.008501 -0.034918 0.018283 0.178861 0.199700 0Rh 4px -0.024471 -0.004374 -0.066865 0.002837 0.014494 0.096810 0Rh 4py 0.013764 -0.014626 0.012019 0.050032 0.222693 -0.181024 0Rh 5pz 0.080286 0.038181 -0.020943 0.015591 -0.069042 -0.099977 0Rh 5px -0.000333 0.003051 0.095134 -0.017119 0.002684 -0.032531 0Rh 5py -0.022791 0.058050 0.020052 -0.006652 -0.099661 0.068020 0Rh 6pz -0.218891 -0.090311 0.615450 -0.185018 0.263597 0.405143 0Rh 6px 0.203911 0.041965 -1.860671 0.400929 -0.201583 -0.080348 0Rh 6py 0.094762 -0.070194 -0.371778 0.041986 0.271270 -0.212718 0Rh 1dz2 0.008639 0.002861 -0.002568 0.014848 -0.004173 -0.005497 0Rh 1dxz 0.005487 0.004030 -0.013929 0.003977 0.004159 0.005228 0Rh 1dyz 0.002008 0.005784 0.008983 0.033615 -0.005237 0.003044 0Rh 1dx2y2 -0.014140 -0.001932 0.018839 -0.000598 -0.000961 0.006624 0Rh 1dxy -0.001410 -0.000748 0.009789 0.011794 0.005621 -0.002056 0Rh 2dz2 0.001613 -0.000136 0.000015 0.000324 -0.000973 -0.001035 0Rh 2dxz -0.000958 -0.000336 -0.000818 0.000492 0.001309 0.001089 0Rh 2dyz 0.000707 -0.001211 0.000064 0.001005 -0.000672 0.000637 0Rh 2dx2y2 -0.001287 -0.000007 0.000257 -0.000246 -0.000141 0.001278 0Rh 2dxy 0.000767 -0.001891 0.000361 0.000818 0.001540 -0.001120 0Rh 3dz2 -0.043799 -0.011222 0.010612 -0.064717 0.022807 0.028804 0Rh 3dxz -0.018389 -0.015371 0.063077 -0.019259 -0.024365 -0.027871 0Rh 3dyz -0.011868 -0.018346 -0.038601 -0.147881 0.026046 -0.016336 0Rh 3dx2y2 0.065224 0.008131 -0.081376 0.003700 0.004846 -0.034995 0Rh 3dxy 0.002163 0.012152 -0.043533 -0.054168 -0.031815 0.014327 0Rh 4dz2 0.078395 0.015961 -0.014848 0.111705 -0.047635 -0.056098 0Rh 4dxz 0.019927 0.021327 -0.109710 0.035713 0.051885 0.054337 0Rh 4dyz 0.023746 0.020353 0.066138 0.257479 -0.052241 0.034242 0Rh 4dx2y2 -0.107948 -0.011561 0.135340 -0.007408 -0.009397 0.070560 0Rh 4dxy 0.003687 -0.031799 0.076778 0.098911 0.064731 -0.032733 0Rh 5dz2 -0.070540 -0.069388 -0.022706 -0.297906 0.125180 0.071895 0Rh 5dxz -0.019149 -0.021345 0.183312 -0.061050 -0.097437 -0.064786 0Rh 5dyz 0.012353 -0.153810 -0.189703 -0.698369 0.174467 -0.104363 0Rh 5dx2y2 0.126592 -0.014864 -0.211503 -0.020532 0.021193 -0.139320 0Rh 5dxy -0.001161 -0.014281 -0.172428 -0.286246 -0.070755 0.045479 0Rh 1f0 0.002713 -0.007527 0.004908 -0.005536 0.002773 -0.008447 0Rh 1f+1 0.007084 0.011946 -0.000016 0.009046 -0.005665 -0.002352 0Rh 1f-1 0.001995 -0.013159 -0.003791 -0.008276 0.014506 0.001994 0Rh 1f+2 0.010213 -0.006519 -0.010119 -0.001029 0.001809 -0.014405 0Rh 1f-2 -0.008430 0.019434 0.000174 0.013973 0.003006 0.000302 0Rh 1f+3 0.010028 -0.001864 -0.007431 0.002791 0.000142 0.000322 0Rh 1f-3 0.009412 -0.004263 -0.008187 -0.008488 -0.002652 0.000815 1Rh 1s 0.000147 -0.000081 0.007308 -0.001694 0.000951 0.000871 1Rh 2s -0.001969 0.000499 -0.062876 0.014541 -0.008254 -0.007791 1Rh 3s -0.000297 -0.000184 0.006247 -0.001470 0.000783 0.000576 1Rh 4s 0.011236 -0.002894 0.363266 -0.084085 0.048046 0.045286 1Rh 5s -0.030183 0.005939 -0.885156 0.205310 -0.118876 -0.112698 1Rh 6s 0.048151 0.000115 0.947774 -0.222038 0.130634 0.127493 1Rh 7s 0.119829 0.026285 -1.961317 0.480267 -0.292904 -0.312674 1Rh 8s -0.160076 -0.039438 -0.172308 0.065536 0.042373 -0.043515 1Rh 1pz 0.002946 0.000509 0.004406 -0.002462 -0.015313 -0.016072 1Rh 1px -0.002319 -0.000247 0.003093 0.000502 -0.001497 -0.008450 1Rh 1py 0.000563 0.000718 -0.001997 -0.004779 -0.018319 0.015374 1Rh 2pz -0.011634 -0.001953 -0.017646 0.009866 0.061919 0.065098 1Rh 2px 0.009373 0.001028 -0.012800 -0.001928 0.006022 0.034146 1Rh 2py -0.002323 -0.002715 0.007971 0.019278 0.074160 -0.062199 1Rh 3pz 0.026334 0.002932 0.046305 -0.025871 -0.174367 -0.185737 1Rh 3px -0.026675 -0.003500 0.042438 0.003396 -0.016291 -0.095613 1Rh 3py 0.007725 0.003142 -0.020237 -0.053342 -0.210598 0.175651 1Rh 4pz 0.000544 0.008664 -0.034904 0.018408 0.178604 0.199460 1Rh 4px 0.028888 0.005655 -0.066460 0.003154 0.014131 0.095995 1Rh 4py -0.013270 0.016249 0.011929 0.049896 0.222062 -0.180733 1Rh 5pz -0.079870 -0.037963 -0.023181 0.017109 -0.069372 -0.100561 1Rh 5px -0.004624 -0.004098 0.095954 -0.017851 0.003122 -0.031657 1Rh 5py 0.022198 -0.058990 0.020572 -0.004605 -0.100067 0.068448 1Rh 6pz 0.198636 0.082663 0.617308 -0.190498 0.262743 0.406769 1Rh 6px -0.125704 -0.016079 -1.865026 0.407143 -0.203429 -0.082074 1Rh 6py -0.082886 0.079874 -0.373874 0.038052 0.272418 -0.212546 1Rh 1dz2 0.008518 0.002434 0.002640 -0.015056 0.004040 0.005462 1Rh 1dxz 0.004965 0.003909 0.013990 -0.004117 -0.004281 -0.005254 1Rh 1dyz 0.001956 0.004862 -0.008980 -0.033906 0.005419 -0.002985 1Rh 1dx2y2 -0.013557 -0.001948 -0.018880 0.000858 0.000785 -0.006548 1Rh 1dxy -0.001254 -0.001029 -0.009850 -0.011930 -0.005641 0.002050 1Rh 2dz2 0.001611 -0.000134 0.000006 -0.000354 0.000989 0.001044 1Rh 2dxz -0.000987 -0.000342 0.000791 -0.000479 -0.001309 -0.001085 1Rh 2dyz 0.000695 -0.001241 -0.000069 -0.001030 0.000698 -0.000624 1Rh 2dx2y2 -0.001276 -0.000012 -0.000273 0.000260 0.000139 -0.001284 1Rh 2dxy 0.000764 -0.001912 -0.000358 -0.000795 -0.001536 0.001122 1Rh 3dz2 -0.043289 -0.009431 -0.011009 0.065738 -0.022303 -0.028697 1Rh 3dxz -0.016059 -0.014836 -0.063208 0.019789 0.024896 0.027959 1Rh 3dyz -0.011600 -0.014310 0.038616 0.149236 -0.026964 0.016019 1Rh 3dx2y2 0.062707 0.008220 0.081624 -0.004866 -0.004065 0.034700 1Rh 3dxy 0.001507 0.013443 0.043778 0.054637 0.031883 -0.014307 1Rh 4dz2 0.077581 0.013055 0.015606 -0.113564 0.046930 0.056025 1Rh 4dxz 0.016074 0.020469 0.109735 -0.036459 -0.052771 -0.054416 1Rh 4dyz 0.023280 0.013496 -0.066215 -0.259893 0.054002 -0.033574 1Rh 4dx2y2 -0.103852 -0.011786 -0.135856 0.009334 0.008063 -0.070149 1Rh 4dxy 0.004757 -0.034125 -0.077154 -0.099562 -0.064808 0.032697 1Rh 5dz2 -0.069294 -0.062271 0.021861 0.301378 -0.124897 -0.072507 1Rh 5dxz -0.014558 -0.020862 -0.183784 0.062015 0.098217 0.064246 1Rh 5dyz 0.012275 -0.136082 0.190148 0.704219 -0.176947 0.102593 1Rh 5dx2y2 0.121238 -0.012941 0.212787 0.018406 -0.019375 0.139393 1Rh 5dxy -0.002885 -0.007304 0.173082 0.288271 0.070705 -0.045310 1Rh 1f0 -0.002943 0.007421 0.004969 -0.005570 0.002759 -0.008384 1Rh 1f+1 -0.006901 -0.011525 -0.000271 0.009180 -0.005663 -0.002439 1Rh 1f-1 -0.001793 0.013048 -0.003838 -0.008529 0.014465 0.002029 1Rh 1f+2 -0.010080 0.006458 -0.010299 -0.001249 0.001861 -0.014444 1Rh 1f-2 0.008447 -0.018891 0.000220 0.014106 0.003085 0.000238 1Rh 1f+3 -0.009561 0.002019 -0.007740 0.002673 0.000138 0.000244 1Rh 1f-3 -0.009211 0.003918 -0.008377 -0.008381 -0.002763 0.000824 2C 1s -0.005358 -0.001393 0.001524 -0.001233 0.022770 0.007019 2C 2s -0.002628 0.005725 0.001901 -0.000665 0.004117 0.001533 2C 3s -0.245000 -0.357671 -0.014727 0.053969 2.264075 0.709501 2C 4s 0.274150 -0.004835 0.552313 -1.280742-11.383554 -3.591705 2C 5s -1.562377 -2.293556 0.508701 -1.475848 4.433307 1.136419 2C 1pz -0.005580 -0.030064 -0.016003 0.043608 0.250240 0.084188 2C 1px -0.026854 -0.056869 0.011739 -0.054312 0.043742 0.012293 2C 1py -0.006855 -0.023992 -0.007733 0.014344 0.173948 0.052347 2C 2pz -1.453088 -2.024008 1.133061 -2.305848 -5.178625 -1.724898 2C 2px 0.238764 0.535776 0.073679 0.366455 -0.862281 -0.269474 2C 2py -0.875153 -1.173657 0.714373 -1.333081 -3.536691 -1.118246 2C 3pz -0.070750 -0.202460 0.033858 -0.126899 0.278338 0.051554 2C 3px -0.060827 -0.087005 -0.026386 -0.095820 0.009652 -0.019824 2C 3py -0.070846 -0.188447 0.019876 -0.133566 0.204017 0.032357 2C 1dz2 -0.088129 -0.102061 0.067886 -0.094242 -0.215773 -0.068182 2C 1dxz -0.129034 -0.171530 0.041411 -0.182210 -0.100896 -0.037368 2C 1dyz -0.121350 -0.160838 0.104647 -0.151462 -0.324226 -0.107556 2C 1dx2y2 0.089322 0.109418 -0.040493 0.116640 0.085653 0.035451 2C 1dxy -0.072757 -0.118018 0.032215 -0.117772 -0.066026 -0.028455 2C 2dz2 -0.348663 -0.508916 0.294167 -0.567588 -1.147696 -0.391077 2C 2dxz -0.383119 -0.664182 0.195415 -0.504624 -0.631590 -0.204829 2C 2dyz -0.344410 -0.373716 0.352821 -0.537665 -1.697685 -0.544444 2C 2dx2y2 0.397445 0.704678 -0.225403 0.616712 0.579039 0.184127 2C 2dxy -0.095512 -0.091300 0.061200 -0.125302 -0.320642 -0.112996 2C 1f0 0.138585 0.176758 -0.018194 0.113745 -0.200413 -0.061759 2C 1f+1 -0.034211 -0.082045 0.020616 -0.046030 -0.141930 -0.045126 2C 1f-1 0.014017 -0.026324 0.046812 -0.121005 -0.714576 -0.224639 2C 1f+2 -0.251700 -0.297378 0.061600 -0.178251 0.544600 0.156927 2C 1f-2 0.175237 0.157490 -0.102472 0.101734 -0.543570 -0.160225 2C 1f+3 -0.274402 -0.341069 0.127663 -0.239562 0.195904 0.052163 2C 1f-3 -0.005998 0.004027 0.042594 0.002198 0.052376 0.020553 3C 1s -0.002399 -0.000370 0.001765 -0.000208 -0.006890 0.022698 3C 2s 0.004941 -0.005124 0.001246 -0.000240 -0.001444 0.004052 3C 3s -0.380450 0.203569 -0.002707 -0.073110 -0.690019 2.265358 3C 4s 0.109764 0.062644 0.918672 0.812646 3.464558-11.415072 3C 5s -1.847001 1.488763 1.270187 0.615854 -1.202780 4.364685 3C 1pz 0.000800 -0.003690 -0.032552 -0.026357 -0.044939 0.160409 3C 1px -0.048686 0.027713 0.032778 0.029106 -0.031579 0.093544 3C 1py 0.043029 -0.029031 0.022385 0.023585 0.078729 -0.249178 3C 2pz -1.461798 0.886833 1.311371 0.798438 0.946850 -3.273228 3C 2px 0.040729 0.008450 0.184164 -0.075605 0.595080 -1.906313 3C 2py 1.895637 -0.978852 -1.859375 -1.097532 -1.581489 5.183719 3C 3pz -0.093756 0.106175 0.094761 0.024207 -0.042477 0.208317 3C 3px -0.104531 0.081650 0.072308 0.096778 -0.017683 0.084680 3C 3py 0.044414 -0.185236 -0.097831 -0.058326 0.050723 -0.257300 3C 1dz2 0.090883 -0.051012 -0.067508 -0.044114 -0.020047 0.074793 3C 1dxz -0.182624 0.084199 0.133955 0.113971 0.027323 -0.099176 3C 1dyz 0.115595 -0.061019 -0.106550 -0.032110 -0.091913 0.285776 3C 1dx2y2 0.109264 -0.062936 -0.099315 -0.036681 -0.064569 0.216524 3C 1dxy 0.179447 -0.100171 -0.140798 -0.099894 -0.052658 0.193794 3C 2dz2 0.051340 -0.000628 -0.074214 -0.055033 -0.114747 0.314991 3C 2dxz -0.679244 0.367907 0.485016 0.342191 0.169272 -0.618462 3C 2dyz 0.226062 -0.067255 -0.385235 -0.183267 -0.442640 1.462345 3C 2dx2y2 0.694092 -0.444623 -0.607912 -0.348478 -0.361898 1.211136 3C 2dxy 0.482258 -0.297956 -0.382944 -0.195165 -0.318202 1.049860 3C 1f0 0.196837 -0.122699 -0.173174 -0.091583 -0.077267 0.256067 3C 1f+1 0.146030 -0.082196 -0.069771 -0.060165 0.007607 -0.031403 3C 1f-1 0.146590 -0.052876 -0.118669 -0.053527 0.045662 -0.135467 3C 1f+2 -0.379858 0.180615 0.157112 0.047831 -0.239571 0.792990 3C 1f-2 -0.227754 0.106151 0.131710 0.049888 -0.177095 0.591305 3C 1f+3 -0.155388 0.086041 0.098932 0.087830 0.101009 -0.347747 3C 1f-3 -0.026253 0.007764 -0.046356 0.026311 -0.032048 0.084156 4C 1s 0.009541 0.022952 -0.003720 0.009113 -0.010580 -0.003579 4C 2s 0.027316 0.057200 -0.013458 0.029106 0.003220 0.000924 4C 3s -0.143601 0.517704 0.144107 -0.206299 -1.727471 -0.632314 4C 4s 0.194727 -3.583957 -0.546542 0.591133 8.663506 3.128502 4C 5s 0.600758 0.643350 -0.202729 0.501137 -1.467717 -0.301189 4C 1pz 0.096058 0.137069 -0.052555 0.118645 0.284206 0.084632 4C 1px 0.037960 0.054974 -0.065496 0.083908 0.037732 0.012579 4C 1py 0.067099 0.095193 -0.048892 0.099471 0.178978 0.068124 4C 2pz -0.837885 -2.555155 0.243556 -0.791131 -6.108613 -1.763176 4C 2px -2.000687 -2.430286 3.258727 -5.721744 0.033967 -0.241231 4C 2py -1.240913 -2.440229 1.341662 -2.609831 -3.589613 -1.188064 4C 3pz -0.245742 -0.798178 -0.049496 -0.464350 0.910899 0.203447 4C 3px -0.067552 -0.164876 0.276761 0.010539 0.105967 0.040331 4C 3py -0.150725 -0.522392 0.070174 -0.249508 0.609325 0.109967 4C 1dz2 0.084077 0.183759 -0.135352 0.257040 0.180875 0.061485 4C 1dxz -0.124288 -0.015686 0.152920 -0.292738 0.139567 0.018886 4C 1dyz -0.033238 -0.054872 -0.015519 0.034625 0.352305 0.108286 4C 1dx2y2 -0.052591 -0.287033 0.057553 -0.122958 -0.083240 -0.006310 4C 1dxy -0.151071 -0.278384 0.155631 -0.309083 0.120122 0.033505 4C 2dz2 0.753758 1.147983 -0.840107 1.572892 1.186037 0.405609 4C 2dxz -0.066469 0.544178 0.579199 -0.848762 1.112469 0.245151 4C 2dyz 0.485457 0.552624 -0.419068 0.768671 2.083144 0.707282 4C 2dx2y2 -0.594136 -1.455114 0.412835 -0.905217 -0.682773 -0.190455 4C 2dxy -0.368674 -0.728625 0.654718 -1.158890 0.700114 0.195308 4C 1f0 -0.039747 0.006637 0.016797 -0.082014 -0.065251 -0.031003 4C 1f+1 0.059205 0.268578 0.012807 0.084133 -0.108580 -0.045973 4C 1f-1 -0.068347 -0.107298 -0.001458 -0.037523 -0.648167 -0.204738 4C 1f+2 0.133218 0.038762 -0.176393 0.340510 0.200569 0.096547 4C 1f-2 -0.076477 -0.080219 0.190380 -0.244496 -0.148940 -0.060512 4C 1f+3 0.131174 0.112255 -0.123985 0.283616 -0.178208 -0.036156 4C 1f-3 0.155744 0.319767 -0.201484 0.391477 -0.084702 -0.028274 5C 1s 0.022403 -0.013825 -0.008474 -0.003586 0.003549 -0.010715 5C 2s 0.056768 -0.034130 -0.027075 -0.012731 -0.000464 0.003256 5C 3s 0.378601 -0.400738 0.144026 0.123084 0.586227 -1.761727 5C 4s -2.970979 2.603798 -0.287639 -0.421345 -2.925429 8.842673 5C 5s 0.502528 -0.387620 -0.393287 -0.279759 0.346244 -1.429204 5C 1pz 0.075068 -0.039145 -0.040878 -0.025014 -0.058603 0.168729 5C 1px 0.071722 -0.039155 -0.113433 -0.044342 -0.028721 0.086080 5C 1py -0.149023 0.082399 0.102413 0.066256 0.076289 -0.285229 5C 2pz -1.252278 0.925788 -0.525780 -0.236585 1.124700 -3.690895 5C 2px -2.703397 1.454339 6.410994 3.363978 0.284798 -1.161853 5C 2py 2.674004 -1.804217 -1.131105 -0.691255 -1.703811 5.953679 5C 3pz -0.165813 0.385324 0.112384 0.140892 -0.134936 0.569408 5C 3px -0.106527 0.236576 0.280985 -0.117101 -0.010024 0.297223 5C 3py 0.340535 -0.639717 -0.310419 -0.184674 0.238754 -0.889708 5C 1dz2 0.219744 -0.152438 -0.181549 -0.089485 0.038794 -0.089223 5C 1dxz 0.058275 -0.073603 0.123415 0.077217 -0.031542 0.127078 5C 1dyz 0.049386 -0.038387 0.156761 0.097088 0.091243 -0.301569 5C 1dx2y2 -0.293265 0.206163 0.312020 0.175432 0.038385 -0.164164 5C 1dxy 0.118717 -0.028657 -0.317434 -0.174066 0.070724 -0.233510 5C 2dz2 0.619645 -0.404778 -0.697462 -0.344417 0.174554 -0.527498 5C 2dxz 0.762421 -0.558896 0.235013 0.093390 -0.263836 0.921032 5C 2dyz -0.418719 0.133751 1.131437 0.625612 0.531838 -1.681841 5C 2dx2y2 -1.686112 1.033299 1.802691 0.931426 0.326487 -1.250838 5C 2dxy -0.337422 0.223295 -1.018391 -0.501326 0.478376 -1.576072 5C 1f0 0.082753 -0.064571 0.139234 0.078545 -0.131941 0.436983 5C 1f+1 0.226435 -0.153426 -0.328833 -0.179146 0.020528 -0.019522 5C 1f-1 -0.009206 -0.012120 0.122243 0.047830 -0.030911 0.101214 5C 1f+2 0.229664 -0.129234 -0.247438 -0.173825 -0.111294 0.377065 5C 1f-2 0.037264 0.017835 -0.428707 -0.209436 -0.079660 0.236613 5C 1f+3 0.224204 -0.128719 -0.193438 -0.128729 0.121111 -0.350969 5C 1f-3 -0.110937 0.101486 0.075453 -0.005645 -0.044161 0.145448 6C 1s 0.022506 -0.013747 0.008832 0.003748 -0.003530 0.010672 6C 2s 0.056890 -0.033841 0.028108 0.013229 0.000470 -0.003301 6C 3s 0.386611 -0.402103 -0.145752 -0.125954 -0.581771 1.758482 6C 4s -3.012622 2.605973 0.277292 0.428085 2.903054 -8.825066 6C 5s 0.507196 -0.374725 0.412163 0.303503 -0.351911 1.433541 6C 1pz -0.075412 0.038395 -0.042832 -0.025873 -0.058532 0.168506 6C 1px -0.069946 0.038697 -0.115347 -0.045170 -0.028630 0.085786 6C 1py 0.148661 -0.080790 0.106205 0.067933 0.076361 -0.284806 6C 2pz 1.297129 -0.924421 -0.500509 -0.225734 1.127049 -3.690910 6C 2px 2.546321 -1.391805 6.469905 3.390411 0.279107 -1.149497 6C 2py -2.694376 1.784426 -1.190553 -0.717353 -1.706410 5.949826 6C 3pz 0.172252 -0.381925 0.119860 0.160982 -0.139050 0.566133 6C 3px 0.099014 -0.242300 0.285776 -0.105105 -0.012323 0.293780 6C 3py -0.345324 0.636479 -0.322984 -0.218478 0.245804 -0.884125 6C 1dz2 0.217176 -0.150206 0.184800 0.090883 -0.038494 0.089359 6C 1dxz 0.063079 -0.074644 -0.123194 -0.077374 0.032079 -0.127231 6C 1dyz 0.054440 -0.040073 -0.156923 -0.097504 -0.090676 0.300855 6C 1dx2y2 -0.288373 0.202428 -0.316693 -0.177463 -0.038707 0.164095 6C 1dxy 0.110839 -0.025941 0.320348 0.175239 -0.071132 0.233942 6C 2dz2 0.607518 -0.397726 0.707168 0.348007 -0.173979 0.527804 6C 2dxz 0.786801 -0.559012 -0.220317 -0.086146 0.265709 -0.923618 6C 2dyz -0.392373 0.121229 -1.147163 -0.633268 -0.528328 1.676418 6C 2dx2y2 -1.661123 1.014138 -1.837076 -0.946563 -0.326573 1.247439 6C 2dxy -0.379160 0.231100 1.009934 0.498084 -0.480585 1.579435 6C 1f0 -0.088652 0.065424 0.137835 0.078288 -0.132409 0.437251 6C 1f+1 -0.220624 0.150137 -0.332568 -0.180858 0.020528 -0.019993 6C 1f-1 0.004464 0.012589 0.122586 0.047894 -0.030709 0.101223 6C 1f+2 -0.227568 0.125451 -0.253480 -0.176908 -0.110980 0.376470 6C 1f-2 -0.024033 -0.021400 -0.431620 -0.211068 -0.078382 0.234620 6C 1f+3 -0.222702 0.126058 -0.196003 -0.128969 0.120617 -0.350704 6C 1f-3 0.109018 -0.101004 0.075939 -0.005455 -0.043622 0.144885 7C 1s 0.009641 0.022910 0.003980 -0.009589 0.010540 0.003544 7C 2s 0.027381 0.056882 0.014199 -0.030464 -0.003192 -0.000860 7C 3s -0.132103 0.527705 -0.145993 0.208269 1.718359 0.623258 7C 4s 0.135814 -3.629218 0.543199 -0.578621 -8.618038 -3.085684 7C 5s 0.598464 0.633707 0.216198 -0.535509 1.472653 0.296480 7C 1pz -0.095053 -0.134409 -0.055159 0.123145 0.282636 0.082745 7C 1px -0.036071 -0.053072 -0.066548 0.085628 0.037122 0.012023 7C 1py -0.066544 -0.094022 -0.051134 0.103530 0.179112 0.067360 7C 2pz 0.865875 2.563600 0.273144 -0.857357 -6.084815 -1.728458 7C 2px 1.861377 2.250341 3.311654 -5.795384 0.053205 -0.229246 7C 2py 1.211429 2.389381 1.383106 -2.685876 -3.595565 -1.171671 7C 3pz 0.254953 0.791894 -0.045510 -0.498356 0.917686 0.208364 7C 3px 0.058858 0.161941 0.278046 0.004313 0.103990 0.041409 7C 3py 0.154501 0.523807 0.073601 -0.275299 0.614117 0.114339 7C 1dz2 0.079518 0.177463 0.137737 -0.261305 -0.178973 -0.059935 7C 1dxz -0.116316 -0.005530 -0.155537 0.295685 -0.139260 -0.018344 7C 1dyz -0.034471 -0.056877 0.015037 -0.034081 -0.352203 -0.106909 7C 1dx2y2 -0.052710 -0.284844 -0.059397 0.127177 0.084899 0.006262 7C 1dxy -0.146263 -0.270341 -0.160255 0.316014 -0.119814 -0.033288 7C 2dz2 0.725558 1.106550 0.859286 -1.603527 -1.169720 -0.393066 7C 2dxz -0.027018 0.585077 -0.578579 0.838252 -1.108906 -0.239656 7C 2dyz 0.476263 0.537772 0.434886 -0.798056 -2.080251 -0.697205 7C 2dx2y2 -0.594460 -1.444255 -0.431671 0.940467 0.689878 0.187709 7C 2dxy -0.345333 -0.696246 -0.667293 1.179680 -0.700604 -0.193892 7C 1f0 0.038557 -0.009373 0.017682 -0.082862 -0.060152 -0.029262 7C 1f+1 -0.063635 -0.269367 0.010258 0.089616 -0.105352 -0.044498 7C 1f-1 0.070280 0.107941 0.000466 -0.041710 -0.646175 -0.201239 7C 1f+2 -0.125792 -0.029077 -0.180829 0.346881 0.200883 0.095696 7C 1f-2 0.067103 0.070434 0.192420 -0.247727 -0.147053 -0.058973 7C 1f+3 -0.125308 -0.103139 -0.126632 0.286281 -0.178414 -0.035763 7C 1f-3 -0.150158 -0.310352 -0.205684 0.398218 -0.086693 -0.029082 8C 1s -0.002379 -0.000342 -0.001895 0.000122 0.006902 -0.022697 8C 2s 0.005034 -0.005078 -0.001288 0.000202 0.001463 -0.004062 8C 3s -0.383913 0.205360 -0.003735 0.069407 0.689250 -2.263968 8C 4s 0.124574 0.042939 -0.922637 -0.811496 -3.461256 11.406966 8C 5s -1.851843 1.472255 -1.325297 -0.683940 1.216129 -4.360969 8C 1pz -0.000134 0.003019 -0.032869 -0.026774 -0.044769 0.160132 8C 1px 0.048945 -0.027435 0.033783 0.029482 -0.031385 0.093261 8C 1py -0.043525 0.029396 0.022282 0.023777 0.078409 -0.249089 8C 2pz 1.453729 -0.867471 1.349809 0.819663 0.944019 -3.266227 8C 2px -0.054832 -0.005582 0.187332 -0.072961 0.592103 -1.899616 8C 2py -1.883893 0.957263 -1.916321 -1.125819 -1.577924 5.178758 8C 3pz 0.093855 -0.104870 0.097041 0.029887 -0.043618 0.206799 8C 3px 0.104424 -0.078732 0.074850 0.101237 -0.018512 0.084134 8C 3py -0.046957 0.183598 -0.101526 -0.069495 0.053658 -0.256864 8C 1dz2 0.089378 -0.049336 0.068629 0.044260 0.020052 -0.074719 8C 1dxz -0.182829 0.081657 -0.138082 -0.115556 -0.027441 0.099198 8C 1dyz 0.112689 -0.060028 0.109705 0.033434 0.091724 -0.285267 8C 1dx2y2 0.108568 -0.062164 0.103060 0.039107 0.064095 -0.215523 8C 1dxy 0.180613 -0.098640 0.146291 0.102955 0.052488 -0.193575 8C 2dz2 0.045855 0.003089 0.073199 0.052646 0.114275 -0.314538 8C 2dxz -0.680606 0.360774 -0.500484 -0.349384 -0.169545 0.618594 8C 2dyz 0.215595 -0.062808 0.393558 0.186159 0.441426 -1.460100 8C 2dx2y2 0.692173 -0.436188 0.627052 0.359974 0.360401 -1.207689 8C 2dxy 0.485256 -0.295641 0.399186 0.204787 0.317342 -1.048779 8C 1f0 -0.199601 0.122165 -0.180762 -0.096452 -0.076211 0.253470 8C 1f+1 -0.140036 0.076551 -0.068133 -0.060082 0.005669 -0.024696 8C 1f-1 -0.142855 0.051250 -0.121652 -0.054938 0.045155 -0.134124 8C 1f+2 0.379172 -0.179263 0.165382 0.052475 -0.239137 0.790909 8C 1f-2 0.231783 -0.107227 0.140350 0.054437 -0.178999 0.596665 8C 1f+3 0.157780 -0.084889 0.103577 0.088920 0.100297 -0.345071 8C 1f-3 0.034700 -0.009534 -0.043587 0.027700 -0.032584 0.086180 9C 1s -0.005319 -0.001342 -0.001654 0.001371 -0.022767 -0.006906 9C 2s -0.002542 0.005806 -0.001973 0.000695 -0.004167 -0.001487 9C 3s -0.247685 -0.360028 0.008780 -0.047435 -2.259005 -0.698783 9C 4s 0.290070 0.021058 -0.549291 1.295553 11.355731 3.534186 9C 5s -1.561477 -2.268152 -0.545647 1.570023 -4.441050 -1.129997 9C 1pz 0.006287 0.030789 -0.015954 0.044054 0.249319 0.082934 9C 1px 0.026758 0.055861 0.012565 -0.055737 0.043183 0.011992 9C 1py 0.007485 0.025520 -0.007404 0.013948 0.173763 0.051602 9C 2pz 1.430595 1.982209 1.175502 -2.384622 -5.152041 -1.694201 9C 2px -0.252651 -0.538303 0.065896 0.381663 -0.850425 -0.262331 9C 2py 0.860825 1.140726 0.741990 -1.382121 -3.532031 -1.100207 9C 3pz 0.072525 0.202322 0.035426 -0.137455 0.280317 0.053360 9C 3px 0.062939 0.084227 -0.025360 -0.100054 0.010531 -0.019491 9C 3py 0.071169 0.185307 0.020352 -0.140626 0.204722 0.031591 9C 1dz2 -0.084800 -0.097554 -0.069539 0.096732 0.212620 0.066129 9C 1dxz -0.130375 -0.169402 -0.044837 0.189125 0.099219 0.036332 9C 1dyz -0.119326 -0.158615 -0.108754 0.158987 0.323760 0.105762 9C 1dx2y2 0.089529 0.108275 0.043405 -0.121322 -0.086263 -0.035460 9C 1dxy -0.070993 -0.113637 -0.033822 0.118601 0.065680 0.028024 9C 2dz2 -0.337767 -0.489933 -0.301836 0.580060 1.133335 0.381348 9C 2dxz -0.386614 -0.660113 -0.206299 0.529336 0.623575 0.199377 9C 2dyz -0.337193 -0.365452 -0.365237 0.560581 1.696834 0.537061 9C 2dx2y2 0.398782 0.698775 0.239352 -0.641016 -0.582865 -0.183073 9C 2dxy -0.089120 -0.081991 -0.062659 0.120398 0.319887 0.111562 9C 1f0 -0.140390 -0.177138 -0.022920 0.120068 -0.195343 -0.059237 9C 1f+1 0.029799 0.075464 0.020542 -0.042913 -0.141734 -0.044294 9C 1f-1 -0.013143 0.025696 0.048331 -0.123833 -0.709087 -0.220185 9C 1f+2 0.259011 0.301097 0.071347 -0.192143 0.558546 0.158755 9C 1f-2 -0.165389 -0.146672 -0.104700 0.102022 -0.537118 -0.156267 9C 1f+3 0.270604 0.334606 0.132745 -0.250409 0.190638 0.049953 9C 1f-3 0.013873 0.007839 0.048621 -0.006705 0.063149 0.023466 10H 1s -0.369325 -0.520059 0.114867 -0.371552 0.230915 0.054832 10H 2s -0.916383 -1.370735 0.445850 -1.132714 0.259100 0.061468 10H 3s 0.406738 0.527575 -0.173052 0.429201 -0.623400 -0.155890 10H 1pz -0.255579 -0.355309 0.114165 -0.299744 0.205412 0.055221 10H 1px 0.363879 0.490635 -0.151614 0.406068 -0.143357 -0.030381 10H 1py -0.101790 -0.154905 0.051758 -0.125695 0.089393 0.026515 11H 1s -0.159159 -0.138084 0.088767 -0.098963 0.334681 0.093084 11H 2s -0.181610 -0.069755 0.156134 -0.032045 0.502684 0.142028 11H 3s 0.239804 0.281325 -0.094502 0.173358 -0.728546 -0.197724 11H 1pz -0.111829 -0.127639 0.068793 -0.065735 0.245396 0.068964 11H 1px -0.081699 -0.045322 0.060117 -0.022130 0.220331 0.062187 11H 1py 0.098840 0.108650 -0.062173 0.087695 -0.080716 -0.020921 12H 1s -0.170767 -0.173038 0.102469 -0.108884 0.292808 0.082861 12H 2s -0.207202 -0.107623 0.138477 0.020162 0.364129 0.137759 12H 3s 0.245541 0.245548 -0.075361 0.132223 -0.675218 -0.201976 12H 1pz 0.047404 0.046715 -0.035040 0.053282 0.022817 0.011022 12H 1px -0.033025 0.023682 0.027743 0.028014 0.144784 0.046875 12H 1py -0.156949 -0.157188 0.087923 -0.062979 0.251057 0.084591 13H 1s -0.516591 0.282260 0.281088 0.190595 -0.073895 0.226696 13H 2s -1.304510 0.707975 0.930255 0.575517 -0.112610 0.254773 13H 3s 0.510703 -0.276500 -0.367978 -0.209679 0.183363 -0.615594 13H 1pz -0.429556 0.233774 0.300289 0.183160 -0.060708 0.168184 13H 1px 0.374153 -0.189975 -0.247215 -0.161589 0.036456 -0.100749 13H 1py 0.234970 -0.119100 -0.169808 -0.107804 0.058240 -0.169565 14H 1s -0.194433 0.112882 0.143836 0.013436 -0.074433 0.272481 14H 2s -0.152502 0.126434 0.065612 -0.117070 -0.107247 0.309077 14H 3s 0.234383 -0.175467 -0.115040 -0.028913 0.197734 -0.641078 14H 1pz -0.133642 0.092185 0.064108 -0.000296 -0.042005 0.126276 14H 1px -0.088414 0.053566 0.055398 -0.041131 -0.071204 0.233773 14H 1py -0.053656 0.028975 0.054565 0.029081 0.016225 -0.052542 15H 1s -0.176803 0.054102 0.113431 0.034302 -0.096511 0.336863 15H 2s -0.170274 -0.029842 0.133089 -0.013355 -0.145938 0.518797 15H 3s 0.330373 -0.141286 -0.188179 -0.064090 0.203280 -0.726388 15H 1pz 0.137070 -0.039381 -0.096094 -0.026557 0.044847 -0.153100 15H 1px 0.020226 -0.020549 -0.014471 -0.025436 -0.025232 0.095531 15H 1py 0.167910 -0.060709 -0.102836 -0.025100 0.082195 -0.291368 16H 1s 0.003434 -0.024504 -0.026236 -0.040706 0.014790 0.009530 16H 2s -0.057910 0.090266 0.059532 0.099221 0.018267 0.017031 16H 3s 0.027052 0.028046 0.026386 0.039391 0.030141 0.023249 16H 1pz -0.008592 0.022730 0.003598 0.015742 0.016519 0.011932 16H 1px 0.001827 -0.018987 -0.003700 -0.023195 -0.011707 -0.007175 16H 1py -0.009378 0.009414 0.000553 -0.000957 0.003357 0.009009 17H 1s -0.006854 0.022147 0.013751 0.036412 -0.016667 -0.008501 17H 2s 0.052103 -0.090560 0.040047 -0.059352 0.017644 -0.035181 17H 3s 0.049521 -0.008878 -0.001142 -0.033878 0.011809 -0.034395 17H 1pz 0.002562 0.008514 -0.015999 -0.004436 0.002177 0.002579 17H 1px -0.018162 0.018759 -0.021862 0.006801 -0.000263 0.025989 17H 1py 0.005624 -0.004279 0.014927 0.003555 -0.007724 -0.007235 18H 1s -0.006677 0.019770 -0.013438 -0.035090 0.016743 0.008535 18H 2s 0.053558 -0.082619 -0.040727 0.054530 -0.015982 0.034659 18H 3s 0.050121 -0.006977 0.001750 0.032636 -0.010782 0.034348 18H 1pz -0.001903 -0.008355 -0.016358 -0.004948 0.002541 0.002814 18H 1px 0.018808 -0.017314 -0.021954 0.006005 0.000617 0.025786 18H 1py -0.005853 0.003871 0.014193 0.003175 -0.007884 -0.006810 19H 1s 0.003159 -0.024129 0.026460 0.041662 -0.015141 -0.009325 19H 2s -0.055577 0.091541 -0.060403 -0.104993 -0.018508 -0.015985 19H 3s 0.028346 0.027214 -0.025667 -0.039997 -0.030701 -0.022300 19H 1pz 0.007647 -0.022868 0.003846 0.017123 0.016740 0.011200 19H 1px -0.001638 0.018914 -0.003681 -0.023925 -0.011956 -0.006914 19H 1py 0.009248 -0.009965 0.000377 -0.000615 0.003821 0.009050 20H 1s -0.174910 0.053934 -0.118582 -0.036671 0.096707 -0.336630 20H 2s -0.163657 -0.028415 -0.138745 0.013393 0.145554 -0.517617 20H 3s 0.328793 -0.139234 0.196024 0.068999 -0.204060 0.725589 20H 1pz -0.135238 0.039244 -0.100200 -0.028043 0.044844 -0.152969 20H 1px -0.020220 0.020033 -0.013918 -0.025551 -0.025944 0.097894 20H 1py -0.165633 0.060318 -0.106859 -0.026693 0.081915 -0.290212 21H 1s -0.191705 0.111905 -0.149008 -0.017404 0.075377 -0.274016 21H 2s -0.147561 0.126778 -0.073016 0.111437 0.108640 -0.313476 21H 3s 0.235423 -0.174252 0.123197 0.036399 -0.199368 0.642296 21H 1pz 0.134305 -0.092355 0.068798 0.002519 -0.042711 0.128345 21H 1px 0.085521 -0.053561 0.058815 -0.038205 -0.071773 0.234734 21H 1py 0.053306 -0.028411 0.056164 0.029713 0.015822 -0.051380 22H 1s -0.520012 0.278345 -0.293624 -0.197928 0.074181 -0.226542 22H 2s -1.308141 0.698897 -0.963553 -0.592206 0.112119 -0.254683 22H 3s 0.509503 -0.272510 0.381982 0.218964 -0.184296 0.615949 22H 1pz 0.427222 -0.228778 0.308918 0.187661 -0.060497 0.167614 22H 1px -0.377308 0.188068 -0.258195 -0.167386 0.036653 -0.101016 22H 1py -0.238033 0.118904 -0.177712 -0.112028 0.058457 -0.170167 23H 1s -0.167291 -0.168043 -0.105697 0.114915 -0.294644 -0.082494 23H 2s -0.201821 -0.100956 -0.144379 -0.011838 -0.369809 -0.138634 23H 3s 0.244886 0.243368 0.082487 -0.144314 0.677111 0.201745 23H 1pz -0.046786 -0.045411 -0.036525 0.055159 0.020513 0.010058 23H 1px 0.029113 -0.026230 0.027151 0.028427 0.142356 0.045615 23H 1py 0.155577 0.154609 0.092740 -0.070323 0.254859 0.085034 24H 1s -0.155958 -0.136461 -0.093669 0.104511 -0.333879 -0.091650 24H 2s -0.172321 -0.066817 -0.161645 0.033976 -0.500220 -0.138001 24H 3s 0.236013 0.276427 0.099849 -0.182111 0.727334 0.194485 24H 1pz 0.108809 0.125537 0.071474 -0.068801 0.243263 0.067157 24H 1px 0.079855 0.044654 0.063478 -0.024669 0.222968 0.061771 24H 1py -0.095630 -0.106285 -0.064271 0.091001 -0.077094 -0.019491 25H 1s -0.371224 -0.515372 -0.124805 0.388641 -0.231626 -0.054245 25H 2s -0.916912 -1.356140 -0.473089 1.178569 -0.261026 -0.060974 25H 3s 0.405160 0.519358 0.183835 -0.449451 0.624707 0.154315 25H 1pz 0.257747 0.354565 0.122792 -0.314550 0.206289 0.054552 25H 1px -0.363378 -0.483557 -0.161394 0.422083 -0.144068 -0.030030 25H 1py 0.097285 0.146543 0.052460 -0.125397 0.088713 0.026090 26O 1s 0.010035 0.017146 -0.013535 0.017165 -0.001061 -0.001451 26O 2s 0.043633 0.075773 -0.057159 0.079629 -0.005319 -0.005344 26O 3s -0.577408 -1.041430 0.740361 -1.150243 0.134715 0.075310 26O 4s 1.811927 3.199156 -2.265867 3.728865 -0.346486 -0.176088 26O 5s 0.814828 2.366626 -1.525132 3.061060 -0.749057 -0.064061 26O 1pz 0.026149 0.085930 0.002205 0.063924 -0.022039 -0.009404 26O 1px 0.136615 0.321811 -0.177449 0.360243 0.003348 0.002992 26O 1py 0.078451 0.177111 -0.066552 0.179533 -0.023991 0.009655 26O 2pz -0.190309 -0.482847 0.085729 -0.415881 0.072492 0.019539 26O 2px -0.975549 -2.089594 1.288085 -2.492129 0.284886 0.069879 26O 2py -0.515710 -1.098693 0.538869 -1.209553 0.189429 0.001764 26O 3pz 0.007924 0.154538 0.033885 0.486233 -0.164380 -0.012821 26O 3px -0.411165 -0.910289 0.789885 -1.120087 0.342836 0.074154 26O 3py -0.200298 -0.225496 0.324647 -0.123840 -0.034230 0.108212 26O 1dz2 0.008635 0.018389 -0.007857 0.016790 -0.021437 -0.010871 26O 1dxz -0.005104 -0.017699 -0.000535 -0.014449 0.006565 0.003530 26O 1dyz -0.023240 -0.005558 0.013279 -0.019448 -0.026150 -0.004745 26O 1dx2y2 -0.009834 -0.021820 0.016048 -0.027457 0.002550 0.001187 26O 1dxy -0.015565 -0.036558 0.017596 -0.039780 0.005064 -0.002641 26O 2dz2 -0.157532 -0.348077 0.214860 -0.385296 0.032639 0.005910 26O 2dxz 0.103947 0.195343 -0.070631 0.195817 -0.023503 -0.003139 26O 2dyz 0.044226 0.117133 -0.034030 0.131394 -0.066835 -0.013682 26O 2dx2y2 0.155717 0.389313 -0.253005 0.451717 -0.065584 -0.020254 26O 2dxy 0.258742 0.519482 -0.286427 0.581864 -0.101659 -0.028518 26O 1f0 -0.010960 -0.026826 0.001296 -0.016341 -0.029054 0.001554 26O 1f+1 -0.008703 -0.031030 0.023793 -0.044082 0.029563 0.005124 26O 1f-1 -0.021706 -0.043855 0.010828 -0.011825 0.006250 0.005194 26O 1f+2 -0.016904 -0.003517 0.018169 -0.007686 -0.015116 0.000192 26O 1f-2 0.027823 0.062307 -0.020427 0.037740 0.073157 0.028060 26O 1f+3 -0.008823 -0.015657 0.021305 -0.019030 -0.000429 0.002912 26O 1f-3 -0.043418 -0.090054 0.047346 -0.080115 -0.040690 -0.008962 27O 1s 0.016958 -0.008834 -0.021128 -0.007241 -0.000011 -0.001199 27O 2s 0.073641 -0.039563 -0.093582 -0.036079 0.000974 -0.005261 27O 3s -0.986733 0.554422 1.286010 0.556637 -0.045472 0.124662 27O 4s 3.013140 -1.699787 -4.049026 -1.854145 0.138087 -0.293942 27O 5s 1.859426 -1.545883 -3.176176 -1.683708 0.292024 -0.662943 27O 1pz 0.020631 -0.018839 0.017107 -0.009879 0.000654 -0.026465 27O 1px 0.309476 -0.213434 -0.385715 -0.222097 0.014413 0.003299 27O 1py -0.105520 0.074438 0.077954 0.066691 -0.022794 0.017416 27O 2pz -0.080067 0.063263 -0.098116 0.017709 0.001728 0.052217 27O 2px -2.025243 1.327664 2.740522 1.478470 -0.170700 0.268980 27O 2py 0.642048 -0.433797 -0.614566 -0.418511 0.089028 -0.083615 27O 3pz 0.152694 -0.133995 -0.331178 -0.303255 0.014991 -0.177199 27O 3px -0.844442 0.534317 1.380828 0.479229 -0.097391 0.298291 27O 3py 0.107762 0.110147 0.077789 0.311773 -0.111795 0.056022 27O 1dz2 0.028265 -0.003803 -0.031908 -0.014268 -0.005231 0.002717 27O 1dxz -0.005147 0.002183 -0.003778 0.001506 0.001006 0.003960 27O 1dyz 0.002201 0.002427 -0.014593 -0.006846 -0.008907 0.027934 27O 1dx2y2 -0.023609 0.024353 0.034490 0.022437 -0.010193 0.019139 27O 1dxy 0.021112 -0.015429 -0.023912 -0.017514 0.003178 0.004284 27O 2dz2 -0.338809 0.232212 0.445444 0.242934 -0.041363 0.071392 27O 2dxz 0.023509 -0.015122 0.033813 -0.005657 0.004951 -0.007605 27O 2dyz -0.014158 0.016847 0.018845 0.027358 -0.018702 0.050650 27O 2dx2y2 0.502015 -0.326598 -0.674380 -0.338140 0.037894 -0.070631 27O 2dxy -0.336937 0.195595 0.356896 0.216039 -0.032189 0.059960 27O 1f0 0.009374 -0.000551 -0.005935 0.012016 0.001954 -0.001440 27O 1f+1 -0.060588 0.037287 0.063773 0.030477 0.006045 -0.037427 27O 1f-1 0.036818 -0.019406 -0.016754 -0.009804 -0.019201 0.027608 27O 1f+2 0.014673 -0.011082 0.021540 0.009606 0.004795 -0.005415 27O 1f-2 -0.046811 0.025039 0.031426 0.007806 0.020303 -0.063383 27O 1f+3 -0.049566 0.035301 0.066808 0.029035 -0.008192 0.032957 27O 1f-3 0.059706 -0.040352 -0.038994 -0.024836 -0.008233 0.045553 28O 1s 0.002597 0.009911 0.006344 -0.003795 0.002946 0.000485 28O 2s 0.005506 0.036923 0.028899 -0.025582 0.015483 0.002059 28O 3s 0.022748 -0.412641 -0.419916 0.494557 -0.217369 -0.012270 28O 4s -0.224248 1.079084 1.328103 -1.704231 0.938532 0.091199 28O 5s -0.347705 1.196185 1.284310 -2.033047 0.424898 -0.062327 28O 1pz -0.011777 0.136428 0.026929 -0.104900 0.045255 -0.013630 28O 1px 0.016346 -0.125288 -0.077847 0.137569 -0.093183 -0.016476 28O 1py -0.004999 0.034157 -0.014431 -0.014737 -0.017940 -0.001483 28O 2pz 0.192060 -0.639506 -0.446149 0.914465 -0.360242 0.041385 28O 2px -0.242515 0.610882 0.714853 -1.150475 0.510723 0.036012 28O 2py 0.030319 -0.153945 0.002895 0.127422 0.008314 0.005538 28O 3pz 0.020848 -0.104416 -0.395279 -0.019834 0.044754 0.003680 28O 3px -0.156403 0.342623 0.569603 -0.736756 0.171964 -0.061579 28O 3py 0.011118 0.044352 -0.013756 -0.300660 0.033909 0.064510 28O 1dz2 0.008556 0.021243 -0.005465 0.013984 -0.016412 -0.005796 28O 1dxz -0.027028 -0.007041 0.018299 -0.043115 0.007029 -0.005874 28O 1dyz 0.009255 0.023889 -0.005528 0.012129 -0.028020 -0.009775 28O 1dx2y2 0.000396 0.002844 -0.015177 0.020056 -0.003777 -0.004729 28O 1dxy -0.001467 0.001697 0.000500 -0.006464 -0.010447 -0.001541 28O 2dz2 -0.014245 0.019391 0.019721 -0.095686 -0.005199 -0.012337 28O 2dxz 0.096845 -0.206576 -0.241302 0.400529 -0.138695 0.007113 28O 2dyz -0.015957 0.043132 0.026688 -0.114339 -0.022984 -0.017291 28O 2dx2y2 -0.068204 0.139185 0.155787 -0.223455 0.088769 -0.007496 28O 2dxy 0.023807 -0.022766 -0.019030 0.055603 -0.020197 0.001955 28O 1f0 -0.001931 -0.013215 -0.018212 0.024392 0.023581 0.011533 28O 1f+1 0.015375 -0.005295 0.000708 0.014536 -0.044634 -0.004962 28O 1f-1 0.000793 0.011684 -0.005389 -0.004548 0.083019 0.029393 28O 1f+2 -0.002939 0.022916 0.022108 -0.023145 0.015480 0.008411 28O 1f-2 -0.011585 -0.029057 0.019360 -0.040946 -0.036289 -0.009013 28O 1f+3 0.000089 0.018910 0.017449 -0.014786 0.024760 -0.000610 28O 1f-3 0.019632 0.017638 -0.004476 0.036485 0.022914 0.008583 29O 1s -0.002018 -0.000680 -0.000091 -0.000138 0.000383 0.000072 29O 2s -0.006600 -0.002323 -0.000772 -0.000549 0.001143 0.000247 29O 3s 0.054479 0.021853 0.023676 0.006164 -0.007312 -0.001976 29O 4s -0.075001 -0.043002 -0.161668 0.007794 0.007047 -0.010689 29O 5s -0.069313 0.006551 0.508841 -0.141836 -0.002390 0.082844 29O 1pz 0.006585 0.009901 0.006776 0.020790 -0.010191 -0.009417 29O 1px -0.033675 -0.005998 0.037727 -0.004945 -0.004197 0.005526 29O 1py 0.000074 -0.002598 0.004404 -0.009551 -0.004560 0.006707 29O 2pz -0.028697 0.008323 -0.024591 -0.032758 0.035636 0.040336 29O 2px 0.078424 0.025751 -0.108855 0.013886 0.009305 -0.004756 29O 2py 0.001433 0.009499 0.002965 0.029107 0.012322 -0.018828 29O 3pz -0.059724 0.073935 0.103738 0.080348 -0.003998 0.013943 29O 3px -0.054339 0.015136 -0.120259 0.057029 -0.020798 -0.007155 29O 3py 0.021193 -0.024090 0.011949 -0.014499 -0.002975 0.001425 29O 1dz2 -0.004217 0.001778 0.001722 0.004572 0.002511 0.003790 29O 1dxz 0.007535 0.002418 0.000647 -0.000331 -0.006506 -0.005169 29O 1dyz 0.005478 0.003617 0.003284 0.008973 -0.002780 -0.005205 29O 1dx2y2 0.001038 -0.000510 -0.002909 0.001970 -0.001577 -0.004241 29O 1dxy -0.001540 0.008218 -0.002718 0.005200 -0.008435 0.005219 29O 2dz2 0.006424 -0.005664 -0.005501 0.005250 -0.008191 -0.006040 29O 2dxz 0.004651 0.002518 -0.022401 -0.007241 -0.000434 0.003470 29O 2dyz 0.015618 -0.012001 0.013275 0.004211 -0.013653 -0.019518 29O 2dx2y2 -0.006678 -0.002029 0.013884 -0.004172 0.003338 0.000680 29O 2dxy -0.000357 -0.002894 0.013592 0.002305 -0.006767 -0.004482 29O 1f0 0.002414 -0.007046 0.001132 -0.006943 0.007437 -0.002276 29O 1f+1 -0.002276 -0.008853 -0.000027 -0.005847 -0.000487 0.002877 29O 1f-1 -0.001585 0.004625 0.002532 0.005511 -0.011817 0.002889 29O 1f+2 0.009903 0.007464 -0.006125 0.000467 -0.011612 0.002485 29O 1f-2 0.002504 -0.007908 -0.004281 -0.007076 0.009516 -0.003997 29O 1f+3 0.006168 -0.002636 0.002472 -0.001416 -0.001611 -0.001268 29O 1f-3 0.003586 -0.009031 0.001412 0.001158 0.020512 -0.016510 30O 1s 0.010610 -0.006514 0.008223 0.000912 0.000559 0.002710 30O 2s 0.039298 -0.025776 0.041601 0.010592 0.000694 0.013979 30O 3s -0.428414 0.314985 -0.659977 -0.249534 0.004521 -0.187184 30O 4s 1.119593 -0.866470 2.156920 0.899720 -0.113538 0.828042 30O 5s 0.911320 -1.074566 2.182936 1.292918 -0.119370 0.299340 30O 1pz 0.089548 -0.078086 0.075781 0.070059 -0.020737 0.023260 30O 1px -0.102582 0.092467 -0.143357 -0.077527 0.023396 -0.087838 30O 1py -0.098753 0.095753 -0.068195 -0.075612 0.003798 -0.027351 30O 2pz -0.422159 0.406996 -0.729917 -0.486208 0.088328 -0.202338 30O 2px 0.499144 -0.486102 1.185940 0.613820 -0.099354 0.427784 30O 2py 0.468476 -0.469598 0.729261 0.517712 -0.051972 0.238009 30O 3pz -0.200313 0.055191 -0.301545 0.053393 -0.119387 -0.058492 30O 3px 0.262832 -0.336013 0.899276 0.485410 -0.028927 0.104246 30O 3py 0.148571 -0.075821 0.190025 -0.187033 0.061728 -0.053137 30O 1dz2 -0.010301 0.002040 0.010731 0.005313 -0.004957 0.014526 30O 1dxz -0.006313 -0.011060 0.024318 0.015534 -0.005194 -0.002607 30O 1dyz -0.020750 0.017932 0.029931 0.013731 -0.007146 0.030412 30O 1dx2y2 -0.016332 0.003161 -0.004657 0.003281 -0.003789 0.008187 30O 1dxy 0.001477 0.002387 -0.026948 -0.018263 -0.005160 0.007143 30O 2dz2 -0.033018 0.045266 -0.087450 -0.042947 0.000950 -0.017686 30O 2dxz -0.146885 0.127317 -0.300997 -0.162276 0.011634 -0.081884 30O 2dyz -0.103835 0.113184 -0.259439 -0.181358 0.006610 -0.014672 30O 2dx2y2 0.058792 -0.058391 0.089476 0.017500 -0.007016 0.048386 30O 2dxy 0.124934 -0.141913 0.309914 0.168824 -0.023224 0.103313 30O 1f0 -0.016537 0.014812 -0.027601 -0.014853 0.017732 -0.071956 30O 1f+1 0.013363 -0.003216 -0.013791 -0.016501 0.001087 0.019607 30O 1f-1 -0.033019 0.012482 0.024466 0.013746 0.001011 -0.027914 30O 1f+2 0.011675 -0.005356 0.018389 0.000240 0.024658 -0.054235 30O 1f-2 0.034261 -0.029877 -0.000065 -0.006104 -0.014179 0.048137 30O 1f+3 0.016699 -0.006232 0.005049 -0.008393 -0.004103 -0.003396 30O 1f-3 -0.000025 -0.006753 0.053402 0.028572 0.006373 -0.025020 31O 1s 0.011145 -0.006474 -0.008041 -0.000857 -0.000528 -0.002733 31O 2s 0.041605 -0.025757 -0.040982 -0.010423 -0.000547 -0.014103 31O 3s -0.459575 0.317160 0.654442 0.248441 -0.006884 0.189497 31O 4s 1.216053 -0.876680 -2.143969 -0.898630 0.121628 -0.836732 31O 5s 0.989066 -1.095036 -2.173040 -1.279879 0.124466 -0.307816 31O 1pz -0.093406 0.079562 0.074581 0.069482 -0.020953 0.023653 31O 1px 0.109057 -0.093620 -0.142160 -0.076844 0.023797 -0.088239 31O 1py 0.102660 -0.097495 -0.066903 -0.074926 0.004330 -0.027609 31O 2pz 0.452465 -0.415301 -0.725902 -0.484505 0.091024 -0.205744 31O 2px -0.546666 0.495223 1.182073 0.612557 -0.103260 0.432286 31O 2py -0.499417 0.478865 0.724294 0.515568 -0.055438 0.240824 31O 3pz 0.217091 -0.052422 -0.299738 0.049160 -0.116924 -0.059625 31O 3px -0.296186 0.343033 0.896030 0.482754 -0.031801 0.107782 31O 3py -0.164265 0.068408 0.188805 -0.183932 0.059763 -0.051666 31O 1dz2 -0.009815 0.001992 -0.010861 -0.005120 0.004971 -0.014442 31O 1dxz -0.005661 -0.011125 -0.024772 -0.015446 0.005262 0.002488 31O 1dyz -0.020313 0.017721 -0.030498 -0.014132 0.007130 -0.030582 31O 1dx2y2 -0.016766 0.003087 0.004295 -0.003328 0.003853 -0.008221 31O 1dxy 0.001006 0.002660 0.027264 0.018603 0.005020 -0.007051 31O 2dz2 -0.036582 0.045974 0.087282 0.042909 -0.001072 0.017954 31O 2dxz -0.159105 0.129773 0.299937 0.162568 -0.012936 0.083214 31O 2dyz -0.112706 0.116134 0.258746 0.181018 -0.007550 0.015478 31O 2dx2y2 0.063870 -0.058314 -0.089145 -0.017576 0.007687 -0.049072 31O 2dxy 0.137529 -0.144300 -0.309082 -0.168529 0.024380 -0.104422 31O 1f0 0.017580 -0.015016 -0.027537 -0.014825 0.017857 -0.072113 31O 1f+1 -0.013441 0.002907 -0.014246 -0.016589 0.001269 0.019498 31O 1f-1 0.032138 -0.011967 0.024866 0.013673 0.000899 -0.028205 31O 1f+2 -0.012852 0.005384 0.018000 0.000106 0.024641 -0.054233 31O 1f-2 -0.034717 0.029399 -0.000551 -0.006253 -0.014402 0.048078 31O 1f+3 -0.017352 0.005911 0.004732 -0.008581 -0.004222 -0.003193 31O 1f-3 -0.001564 0.007199 0.053557 0.028627 0.006344 -0.024995 32O 1s -0.002088 -0.000637 0.000033 0.000078 -0.000373 -0.000061 32O 2s -0.006860 -0.002190 0.000578 0.000356 -0.001112 -0.000216 32O 3s 0.057536 0.021044 -0.022001 -0.004767 0.007082 0.001767 32O 4s -0.085872 -0.042731 0.158733 -0.010968 -0.006516 0.011194 32O 5s -0.045105 0.006175 -0.507761 0.154004 0.000594 -0.084388 32O 1pz -0.006287 -0.009099 0.006706 0.020727 -0.010287 -0.009389 32O 1px 0.032764 0.006092 0.038145 -0.005527 -0.004093 0.005571 32O 1py -0.000331 0.001950 0.004666 -0.009034 -0.004686 0.006659 32O 2pz 0.027837 -0.009959 -0.024690 -0.031847 0.036358 0.039917 32O 2px -0.075910 -0.024881 -0.110068 0.014589 0.009320 -0.005039 32O 2py -0.001029 -0.009367 0.002063 0.029098 0.012744 -0.018278 32O 3pz 0.056717 -0.071369 0.103167 0.080301 -0.003288 0.013361 32O 3px 0.061436 -0.011289 -0.119692 0.056532 -0.020569 -0.007461 32O 3py -0.020476 0.018044 0.012877 -0.008315 -0.003557 0.001856 32O 1dz2 -0.004561 0.001927 -0.002024 -0.004939 -0.002620 -0.003985 32O 1dxz 0.007416 0.002525 -0.000571 0.000133 0.006554 0.005032 32O 1dyz 0.005601 0.003509 -0.003133 -0.009092 0.002931 0.005194 32O 1dx2y2 0.000758 -0.000469 0.002859 -0.002239 0.001538 0.004129 32O 1dxy -0.001717 0.008052 0.002637 -0.005409 0.008494 -0.005207 32O 2dz2 0.005184 -0.005429 0.005981 -0.005077 0.007789 0.005011 32O 2dxz 0.003698 0.002743 0.022732 0.007229 -0.000037 -0.003819 32O 2dyz 0.015779 -0.012268 -0.013019 -0.003847 0.014533 0.019345 32O 2dx2y2 -0.006517 -0.001204 -0.013734 0.003742 -0.003704 -0.001147 32O 2dxy -0.000186 -0.002662 -0.013297 -0.002202 0.006827 0.004159 32O 1f0 -0.002541 0.007451 0.001215 -0.008030 0.008176 -0.002542 32O 1f+1 0.002536 0.008083 0.000642 -0.005139 -0.000871 0.003228 32O 1f-1 0.001107 -0.004503 0.002257 0.005598 -0.011749 0.003130 32O 1f+2 -0.010024 -0.007489 -0.006338 0.000793 -0.010673 0.002289 32O 1f-2 -0.002566 0.007820 -0.004504 -0.007520 0.009361 -0.003944 32O 1f+3 -0.006689 0.002870 0.001916 -0.002595 -0.001650 -0.000965 32O 1f-3 -0.003817 0.009769 0.001389 0.000113 0.020563 -0.017129 33O 1s 0.003067 0.010269 -0.006245 0.003607 -0.002962 -0.000492 33O 2s 0.007539 0.038631 -0.028633 0.024977 -0.015584 -0.002082 33O 3s -0.005074 -0.438495 0.419058 -0.489821 0.219698 0.012797 33O 4s -0.137995 1.162801 -1.329801 1.695130 -0.947823 -0.092788 33O 5s -0.272029 1.275667 -1.289755 2.015588 -0.427687 0.069107 33O 1pz 0.007702 -0.141534 0.026501 -0.102894 0.045527 -0.013767 33O 1px -0.010308 0.131978 -0.077883 0.135778 -0.093533 -0.016191 33O 1py 0.004892 -0.035304 -0.014359 -0.014277 -0.017449 -0.001301 33O 2pz -0.157470 0.678712 -0.447356 0.907972 -0.363771 0.041745 33O 2px 0.196320 -0.661077 0.719267 -1.147126 0.516097 0.035795 33O 2py -0.027742 0.160957 0.001916 0.126575 0.005873 0.005205 33O 3pz -0.001739 0.113017 -0.394403 -0.016830 0.041463 0.002287 33O 3px 0.123528 -0.373286 0.571674 -0.733924 0.173733 -0.062823 33O 3py -0.011162 -0.051324 -0.014357 -0.297529 0.035212 0.063406 33O 1dz2 0.008544 0.020838 0.005661 -0.014443 0.016300 0.005712 33O 1dxz -0.026161 -0.005972 -0.019028 0.043808 -0.007322 0.005686 33O 1dyz 0.009264 0.023869 0.005973 -0.012772 0.028163 0.009866 33O 1dx2y2 -0.000252 0.002144 0.015216 -0.020258 0.003768 0.004658 33O 1dxy -0.001714 0.001501 -0.000619 0.006831 0.010216 0.001482 33O 2dz2 -0.012511 0.021935 -0.019440 0.094792 0.005465 0.012423 33O 2dxz 0.081233 -0.223426 0.242639 -0.400039 0.140459 -0.007146 33O 2dyz -0.014474 0.046712 -0.027349 0.114547 0.022465 0.017328 33O 2dx2y2 -0.058051 0.149404 -0.157107 0.223360 -0.090262 0.007246 33O 2dxy 0.022770 -0.025200 0.020051 -0.056329 0.020919 -0.001897 33O 1f0 0.002502 0.013591 -0.018337 0.024586 0.022630 0.011048 33O 1f+1 -0.015399 0.005581 0.000499 0.014746 -0.044318 -0.004780 33O 1f-1 -0.000407 -0.011384 -0.005245 -0.004582 0.083360 0.029287 33O 1f+2 0.001364 -0.024315 0.021910 -0.022591 0.015173 0.008134 33O 1f-2 0.010384 0.027503 0.019534 -0.041105 -0.036856 -0.008962 33O 1f+3 -0.001130 -0.019775 0.017486 -0.014693 0.024620 -0.000682 33O 1f-3 -0.019695 -0.017017 -0.005067 0.037262 0.022587 0.008458 34O 1s 0.016521 -0.008713 0.021424 0.007341 0.000008 0.001217 34O 2s 0.071739 -0.038921 0.094869 0.036538 -0.000986 0.005346 34O 3s -0.961403 0.544073 -1.303156 -0.563027 0.045510 -0.125911 34O 4s 2.935473 -1.664933 4.102774 1.874570 -0.138668 0.299318 34O 5s 1.785868 -1.513564 3.207923 1.703658 -0.289250 0.661229 34O 1pz -0.021622 0.018271 0.017004 -0.010199 0.000792 -0.026254 34O 1px -0.302022 0.208468 -0.391054 -0.224704 0.014271 0.002987 34O 1py 0.105078 -0.072937 0.079880 0.067707 -0.022544 0.017464 34O 2pz 0.084973 -0.061505 -0.097592 0.018603 0.001664 0.051324 34O 2px 1.972042 -1.297028 2.775435 1.493940 -0.169836 0.271796 34O 2py -0.635653 0.425319 -0.626847 -0.424450 0.088193 -0.084239 34O 3pz -0.147002 0.126519 -0.334906 -0.306354 0.014977 -0.177603 34O 3px 0.809297 -0.528388 1.393683 0.483261 -0.096746 0.298850 34O 3py -0.107091 -0.102207 0.077350 0.317704 -0.112399 0.056681 34O 1dz2 0.027847 -0.003490 0.032547 0.014168 0.005403 -0.002548 34O 1dxz -0.005522 0.002164 0.003685 -0.001618 -0.000956 -0.003920 34O 1dyz 0.001733 0.002580 0.014796 0.006996 0.008708 -0.027915 34O 1dx2y2 -0.023067 0.023927 -0.034861 -0.022791 0.010235 -0.019106 34O 1dxy 0.021133 -0.015158 0.024331 0.017791 -0.003254 -0.004145 34O 2dz2 -0.330335 0.227311 -0.450965 -0.245576 0.041329 -0.071624 34O 2dxz 0.025187 -0.014515 -0.033707 0.005939 -0.004826 0.007115 34O 2dyz -0.014013 0.016145 -0.018899 -0.027622 0.018546 -0.050528 34O 2dx2y2 0.487871 -0.319491 0.682196 0.341253 -0.037453 0.071223 34O 2dxy -0.332345 0.191429 -0.363245 -0.218341 0.031936 -0.060081 34O 1f0 -0.009565 0.001169 -0.006345 0.011710 0.002118 -0.001471 34O 1f+1 0.059642 -0.036768 0.064981 0.030865 0.006120 -0.037244 34O 1f-1 -0.037200 0.019227 -0.017504 -0.009964 -0.019576 0.027478 34O 1f+2 -0.015835 0.011282 0.021350 0.009354 0.004757 -0.005091 34O 1f-2 0.046599 -0.024885 0.032557 0.008430 0.020069 -0.063231 34O 1f+3 0.047922 -0.034591 0.067497 0.029525 -0.008108 0.032843 34O 1f-3 -0.059984 0.039978 -0.040163 -0.025274 -0.008186 0.045529 35O 1s 0.009618 0.016695 0.013796 -0.017580 0.001068 0.001462 35O 2s 0.041857 0.073690 0.058310 -0.081465 0.005363 0.005400 35O 3s -0.554544 -1.011732 -0.755931 1.175276 -0.135245 -0.075943 35O 4s 1.742490 3.104097 2.315206 -3.807859 0.349543 0.178497 35O 5s 0.759039 2.279073 1.553181 -3.112821 0.747931 0.072324 35O 1pz -0.026824 -0.084964 0.001265 0.065692 -0.022048 -0.009371 35O 1px -0.130564 -0.312094 -0.181715 0.367427 0.003144 0.002486 35O 1py -0.076131 -0.172816 -0.068972 0.183627 -0.023784 0.009646 35O 2pz 0.190778 0.475168 0.091817 -0.426516 0.072839 0.019906 35O 2px 0.933469 2.023317 1.316978 -2.539412 0.285997 0.072290 35O 2py 0.499207 1.069873 0.554989 -1.236223 0.189117 0.002408 35O 3pz -0.007205 -0.141714 0.032367 0.491510 -0.168053 -0.015007 35O 3px 0.382686 0.878212 0.801474 -1.140446 0.341164 0.076136 35O 3py 0.191806 0.220851 0.329562 -0.127316 -0.035200 0.108795 35O 1dz2 0.008653 0.018111 0.008197 -0.017185 0.021148 0.010759 35O 1dxz -0.005446 -0.017708 0.000396 0.014881 -0.006725 -0.003511 35O 1dyz -0.022926 -0.005051 -0.013830 0.020071 0.026003 0.004700 35O 1dx2y2 -0.009248 -0.021075 -0.016322 0.027879 -0.002713 -0.001192 35O 1dxy -0.015136 -0.035785 -0.018051 0.040805 -0.005112 0.002697 35O 2dz2 -0.150477 -0.337664 -0.219444 0.392739 -0.032640 -0.006275 35O 2dxz 0.103000 0.191376 0.073546 -0.200525 0.023622 0.003292 35O 2dyz 0.043516 0.114444 0.035373 -0.134113 0.066940 0.013775 35O 2dx2y2 0.147206 0.376482 0.257469 -0.459315 0.065503 0.020562 35O 2dxy 0.250019 0.504933 0.294149 -0.593968 0.101368 0.028948 35O 1f0 0.011461 0.027002 0.001693 -0.017147 -0.029017 0.001561 35O 1f+1 0.007471 0.029438 0.023971 -0.044401 0.028856 0.004893 35O 1f-1 0.021941 0.043916 0.011411 -0.012816 0.005802 0.005244 35O 1f+2 0.015950 0.002824 0.018453 -0.008093 -0.015371 0.000137 35O 1f-2 -0.027901 -0.061966 -0.021346 0.039375 0.072922 0.027698 35O 1f+3 0.008315 0.015284 0.021613 -0.019631 0.000358 0.003127 35O 1f-3 0.042231 0.088303 0.048726 -0.082389 -0.040482 -0.008665 612 613 614 615 616 617 4.82956 4.86110 5.12604 5.12969 5.15202 5.15232 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s 0.007250 0.000172 0.000104 -0.000821 -0.000086 0.000063 0Rh 2s -0.060739 -0.001475 0.000093 0.005885 0.000549 -0.000380 0Rh 3s 0.007302 0.000156 0.000684 -0.001444 -0.000193 0.000155 0Rh 4s 0.354896 0.008650 -0.000213 -0.035432 -0.003341 0.002351 0Rh 5s -0.870089 -0.021409 0.003047 0.088298 0.008162 -0.005976 0Rh 6s 0.885842 0.022119 -0.015275 -0.088663 -0.007250 0.006189 0Rh 7s -0.704486 -0.016586 0.021092 0.124849 0.005265 -0.012532 0Rh 8s -0.103052 -0.003418 -0.034091 0.156450 0.006037 -0.008156 0Rh 1pz 0.003306 -0.000126 -0.002556 0.001050 -0.003554 -0.028855 0Rh 1px -0.001932 0.000137 0.012230 -0.005491 -0.004761 -0.006282 0Rh 1py -0.000792 -0.002691 0.017193 -0.013826 0.010434 -0.005036 0Rh 2pz -0.013620 0.000506 0.010460 -0.004344 0.014582 0.118176 0Rh 2px 0.008789 -0.000518 -0.050040 0.022633 0.019516 0.025719 0Rh 2py 0.003367 0.010854 -0.070371 0.056625 -0.042733 0.020572 0Rh 3pz 0.043551 -0.001307 -0.031264 0.013844 -0.044405 -0.355410 0Rh 3px -0.046031 0.000626 0.149586 -0.070697 -0.059005 -0.077200 0Rh 3py -0.013069 -0.029621 0.210759 -0.170250 0.128667 -0.060918 0Rh 4pz -0.062483 0.000643 0.035931 -0.017818 0.053286 0.412355 0Rh 4px 0.126486 0.002568 -0.171417 0.088053 0.069083 0.089081 0Rh 4py 0.026810 0.025210 -0.240927 0.196118 -0.150081 0.068199 0Rh 5pz 0.064618 0.002706 -0.019337 0.006686 -0.028771 -0.194885 0Rh 5px -0.244700 -0.008957 0.082924 -0.036994 -0.032026 -0.041271 0Rh 5py -0.043094 0.007053 0.100322 -0.085225 0.072322 -0.028690 0Rh 6pz -0.198621 -0.014594 0.078777 0.111095 0.047304 0.252312 0Rh 6px 0.532089 0.014928 -0.114421 -0.359525 0.006008 0.059745 0Rh 6py 0.068635 -0.009031 0.025324 0.080685 -0.083150 0.047206 0Rh 1dz2 -0.008799 -0.006804 -0.004116 0.003395 -0.000326 -0.003246 0Rh 1dxz -0.012065 0.002672 -0.000653 -0.000398 0.000580 0.006946 0Rh 1dyz -0.001475 -0.023622 -0.003910 0.003343 0.002872 0.000298 0Rh 1dx2y2 0.019748 -0.000073 -0.000661 0.002515 0.002951 0.000883 0Rh 1dxy 0.006928 -0.008876 0.012111 -0.009386 -0.004242 0.001453 0Rh 2dz2 0.000944 -0.003038 0.000081 0.000290 -0.000044 -0.000150 0Rh 2dxz 0.001242 0.000237 -0.000465 0.000963 0.000096 -0.000066 0Rh 2dyz 0.000562 -0.007319 0.000024 0.000167 -0.000606 -0.000230 0Rh 2dx2y2 -0.001512 -0.001173 0.001180 -0.001988 -0.000483 0.000251 0Rh 2dxy -0.000482 -0.002982 -0.000797 0.000528 0.000069 0.000091 0Rh 3dz2 0.033858 0.045011 0.018525 -0.017134 0.001703 0.015667 0Rh 3dxz 0.046581 -0.013027 0.005142 -0.002849 -0.003114 -0.031729 0Rh 3dyz 0.003754 0.140507 0.017924 -0.016285 -0.010384 -0.000235 0Rh 3dx2y2 -0.078607 0.006199 -0.002328 -0.002122 -0.011327 -0.005192 0Rh 3dxy -0.027765 0.053977 -0.052098 0.040833 0.019223 -0.007078 0Rh 4dz2 -0.046560 -0.107237 -0.034177 0.035816 -0.003309 -0.030598 0Rh 4dxz -0.064192 0.025276 -0.011469 0.012755 0.006264 0.059868 0Rh 4dyz -0.001091 -0.315110 -0.034054 0.032849 0.016122 -0.001234 0Rh 4dx2y2 0.112910 -0.022441 0.009020 -0.009217 0.018469 0.010671 0Rh 4dxy 0.039863 -0.122610 0.094369 -0.074985 -0.035298 0.013435 0Rh 5dz2 -0.034898 0.265629 0.045714 -0.075862 0.001589 0.045547 0Rh 5dxz -0.035060 -0.045581 0.020107 -0.059185 -0.008473 -0.081269 0Rh 5dyz -0.031169 0.715000 0.049966 -0.061464 -0.012670 0.006881 0Rh 5dx2y2 0.035235 0.084471 -0.024742 0.079702 -0.012855 -0.016481 0Rh 5dxy 0.014821 0.278842 -0.117715 0.102555 0.038850 -0.018340 0Rh 1f0 -0.014439 0.001509 -0.000296 -0.004312 0.002458 0.003841 0Rh 1f+1 0.009631 -0.002056 0.001236 0.004252 0.002065 0.002268 0Rh 1f-1 0.001770 0.002843 0.002711 0.000756 -0.000505 -0.005258 0Rh 1f+2 0.018548 0.002193 0.005587 0.005649 0.002229 0.004587 0Rh 1f-2 0.007643 -0.004988 -0.000169 0.003900 -0.001832 -0.000260 0Rh 1f+3 0.019901 -0.000152 0.005674 0.005825 0.002163 -0.002763 0Rh 1f-3 0.012349 0.005237 -0.004089 0.005480 -0.003317 0.000756 1Rh 1s 0.007228 0.000175 0.000071 0.000828 0.000093 0.000049 1Rh 2s -0.060545 -0.001493 0.000332 -0.005916 -0.000633 -0.000284 1Rh 3s 0.007287 0.000160 0.000623 0.001467 0.000185 0.000128 1Rh 4s 0.353767 0.008754 -0.001654 0.035627 0.003836 0.001776 1Rh 5s -0.867271 -0.021658 0.006635 -0.088732 -0.009511 -0.004552 1Rh 6s 0.882651 0.022353 -0.018869 0.088839 0.009137 0.004820 1Rh 7s -0.696644 -0.017329 0.026338 -0.125619 -0.008382 -0.010943 1Rh 8s -0.103016 -0.002993 -0.026918 -0.157370 -0.003142 -0.005180 1Rh 1pz -0.003241 0.000071 0.002741 0.001366 -0.001284 0.029112 1Rh 1px 0.001962 -0.000146 -0.011912 -0.005728 -0.003014 0.006671 1Rh 1py 0.000811 0.002614 -0.016752 -0.014538 0.008415 0.004506 1Rh 2pz 0.013357 -0.000281 -0.011213 -0.005637 0.005286 -0.119231 1Rh 2px -0.008910 0.000553 0.048732 0.023603 0.012361 -0.027316 1Rh 2py -0.003439 -0.010544 0.068564 0.059540 -0.034465 -0.018401 1Rh 3pz -0.042759 0.000602 0.033472 0.017739 -0.016458 0.358624 1Rh 3px 0.046378 -0.000755 -0.145548 -0.073606 -0.037504 0.082051 1Rh 3py 0.013199 0.028806 -0.205323 -0.178989 0.103796 0.054383 1Rh 4pz 0.061476 0.000345 -0.038336 -0.022335 0.020908 -0.416224 1Rh 4px -0.126866 -0.002312 0.166491 0.091441 0.044200 -0.094806 1Rh 4py -0.026647 -0.024640 0.234668 0.206127 -0.121188 -0.060562 1Rh 5pz -0.063718 -0.003776 0.020406 0.008816 -0.013696 0.197054 1Rh 5px 0.244949 0.008540 -0.080817 -0.038872 -0.020263 0.043828 1Rh 5py 0.042248 -0.006544 -0.097657 -0.089422 0.058461 0.024944 1Rh 6pz 0.193476 0.019046 -0.089362 0.104057 0.028709 -0.257855 1Rh 6px -0.530279 -0.014004 0.128068 -0.357299 -0.008456 -0.055722 1Rh 6py -0.064172 0.005980 -0.025750 0.081770 -0.061549 -0.043254 1Rh 1dz2 -0.008890 -0.006697 -0.003902 -0.003421 0.000225 -0.003270 1Rh 1dxz -0.012032 0.002598 -0.000855 0.000166 -0.000072 0.006973 1Rh 1dyz -0.001472 -0.023632 -0.003986 -0.003746 -0.002534 0.000540 1Rh 1dx2y2 0.019860 -0.000131 -0.000701 -0.002717 -0.002607 0.001098 1Rh 1dxy 0.006844 -0.008788 0.011668 0.009705 0.003465 0.001101 1Rh 2dz2 0.000936 -0.003032 0.000074 -0.000294 0.000040 -0.000163 1Rh 2dxz 0.001242 0.000235 -0.000403 -0.000957 -0.000066 -0.000056 1Rh 2dyz 0.000561 -0.007312 0.000025 -0.000145 0.000549 -0.000275 1Rh 2dx2y2 -0.001504 -0.001170 0.001108 0.002040 0.000468 0.000189 1Rh 2dxy -0.000477 -0.002982 -0.000782 -0.000549 -0.000079 0.000097 1Rh 3dz2 0.034298 0.044514 0.017569 0.017272 -0.001215 0.015831 1Rh 3dxz 0.046438 -0.012689 0.005772 0.003891 0.000638 -0.031901 1Rh 3dyz 0.003743 0.140515 0.018273 0.018045 0.009096 -0.001134 1Rh 3dx2y2 -0.079140 0.006436 -0.001795 0.002817 0.009813 -0.005890 1Rh 3dxy -0.027421 0.053588 -0.050124 -0.042206 -0.015578 -0.005479 1Rh 4dz2 -0.047390 -0.106318 -0.032372 -0.036111 0.002289 -0.030927 1Rh 4dxz -0.063972 0.024690 -0.012224 -0.014682 -0.001460 0.060255 1Rh 4dyz -0.001099 -0.315011 -0.034768 -0.036157 -0.014043 0.000198 1Rh 4dx2y2 0.113915 -0.022803 0.007487 0.008099 -0.015677 0.011621 1Rh 4dxy 0.039349 -0.121935 0.090661 0.077451 0.028286 0.010478 1Rh 5dz2 -0.033422 0.263905 0.042750 0.076629 0.000369 0.045586 1Rh 5dxz -0.034846 -0.045134 0.019033 0.061707 0.001566 -0.082003 1Rh 5dyz -0.030485 0.712980 0.051439 0.066684 0.011185 0.005634 1Rh 5dx2y2 0.033592 0.084287 -0.019676 -0.078553 0.009435 -0.016228 1Rh 5dxy 0.014713 0.277760 -0.112176 -0.105305 -0.028789 -0.014858 1Rh 1f0 0.014463 -0.001505 0.000481 -0.004427 0.001786 -0.004007 1Rh 1f+1 -0.009607 0.002097 -0.001399 0.004106 0.001807 -0.002476 1Rh 1f-1 -0.001796 -0.002803 -0.002837 0.000623 -0.000329 0.005278 1Rh 1f+2 -0.018401 -0.002310 -0.005795 0.005468 0.001783 -0.004770 1Rh 1f-2 -0.007504 0.004834 0.000141 0.004022 -0.001982 0.000354 1Rh 1f+3 -0.019984 0.000263 -0.006006 0.005597 0.002576 0.002505 1Rh 1f-3 -0.012195 -0.005264 0.003827 0.005590 -0.003347 -0.000607 2C 1s 0.017189 -0.013321 -0.000356 -0.000678 -0.000151 0.000252 2C 2s 0.004172 0.001891 -0.000886 0.000267 -0.000177 0.000230 2C 3s 1.739650 -1.763086 0.032048 -0.122148 0.000555 0.015257 2C 4s -8.988406 8.926307 -0.089378 0.596576 0.031154 -0.064997 2C 5s 2.948261 -0.267363 -0.024816 -0.336813 -0.053271 -0.001274 2C 1pz 0.188995 -0.215305 0.009825 -0.014857 0.008068 0.006484 2C 1px 0.026734 -0.032107 0.005513 -0.009694 0.001854 -0.003108 2C 1py 0.128336 -0.145587 0.002931 -0.008904 -0.007812 -0.004661 2C 2pz -4.377460 4.435998 -0.071688 0.273136 -0.067904 -0.077174 2C 2px -0.742392 0.737914 -0.051997 0.107566 -0.002394 0.051316 2C 2py -2.958556 3.007023 0.027916 0.166866 0.167958 0.109828 2C 3pz 0.174392 0.430293 -0.004113 -0.054949 0.003625 0.009667 2C 3px -0.033504 0.203383 -0.016110 0.008603 -0.004207 -0.021502 2C 3py 0.138313 0.246122 -0.020206 -0.009896 -0.028576 -0.022356 2C 1dz2 -0.192679 0.189226 -0.001136 0.018909 0.005204 0.007382 2C 1dxz -0.096489 0.098730 0.009241 -0.004245 0.001195 -0.002623 2C 1dyz -0.297168 0.292056 -0.001054 0.011769 0.002354 0.002806 2C 1dx2y2 0.083385 -0.082668 0.000441 -0.000952 0.000307 0.004198 2C 1dxy -0.066384 0.064886 0.004842 -0.005048 -0.002561 -0.005139 2C 2dz2 -0.971640 0.975284 -0.003894 0.054940 -0.003513 -0.007908 2C 2dxz -0.501911 0.526361 0.024675 0.024786 0.037449 0.040933 2C 2dyz -1.423011 1.411677 -0.024235 0.102778 0.032458 0.021816 2C 2dx2y2 0.483687 -0.485262 0.002539 -0.001826 0.034372 0.041675 2C 2dxy -0.264094 0.267908 -0.048144 0.031800 -0.087243 -0.050782 2C 1f0 -0.147180 0.134885 0.000881 0.021443 0.008281 0.009757 2C 1f+1 -0.121942 0.112489 -0.003648 0.014703 -0.018152 -0.009514 2C 1f-1 -0.539070 0.513735 -0.007817 0.028181 -0.005222 -0.007717 2C 1f+2 0.392396 -0.352887 0.006596 -0.022601 -0.008452 0.004078 2C 1f-2 -0.365746 0.338815 0.006586 0.018809 0.002000 -0.000506 2C 1f+3 0.107817 -0.084798 0.010233 -0.010955 0.015188 0.020018 2C 1f-3 0.014515 -0.019098 -0.004373 0.000264 0.002138 0.002643 3C 1s 0.016332 0.014450 -0.000156 0.000423 0.000512 0.000217 3C 2s 0.004339 -0.001578 -0.000791 -0.000893 0.000859 0.000025 3C 3s 1.622986 1.873311 0.046592 0.138548 0.002403 0.029930 3C 4s -8.405422 -9.500898 -0.192849 -0.676385 -0.098947 -0.128320 3C 5s 2.896593 0.443574 -0.021538 0.428532 -0.013602 0.009632 3C 1pz 0.111786 0.142505 0.004629 0.010792 -0.003376 0.006136 3C 1px 0.061145 0.079181 -0.001222 0.003746 -0.008309 0.008803 3C 1py -0.171704 -0.224195 -0.012103 -0.018647 -0.001755 0.001394 3C 2pz -2.520776 -2.909354 -0.030900 -0.165505 -0.005216 -0.120703 3C 2px -1.497535 -1.694570 0.036643 -0.121639 0.108583 -0.168365 3C 2py 4.045947 4.667566 0.145959 0.357731 0.154629 -0.066341 3C 3pz 0.174890 -0.135580 -0.015545 0.030486 -0.005998 0.013213 3C 3px 0.052107 -0.227662 -0.009442 0.046833 -0.012884 0.014143 3C 3py -0.172745 0.455942 0.016517 -0.047343 -0.003997 0.023788 3C 1dz2 0.062186 0.068532 0.002373 -0.000767 0.001463 0.004522 3C 1dxz -0.086822 -0.101208 -0.010683 -0.013791 -0.008862 0.008379 3C 1dyz 0.241890 0.269171 -0.002084 0.015720 0.003856 -0.003308 3C 1dx2y2 0.179267 0.199593 -0.006844 0.001748 -0.004619 0.015591 3C 1dxy 0.163706 0.183721 0.009830 0.014561 0.009993 -0.002656 3C 2dz2 0.244513 0.291458 0.025825 0.027840 0.040541 -0.047770 3C 2dxz -0.468526 -0.545469 -0.053684 -0.034035 -0.098394 0.116070 3C 2dyz 1.143689 1.279347 0.041663 0.140326 0.015947 -0.002295 3C 2dx2y2 0.936377 1.070074 0.008675 0.053219 -0.001390 0.061188 3C 2dxy 0.796905 0.913861 -0.005888 0.034544 -0.025302 0.058071 3C 1f0 0.193867 0.223978 -0.002790 0.002776 -0.006682 0.022649 3C 1f+1 -0.027650 -0.018724 0.004162 -0.013367 0.010942 -0.007643 3C 1f-1 -0.071741 -0.072884 0.004387 0.012078 0.009715 -0.028285 3C 1f+2 0.524765 0.552238 0.006370 0.032309 0.000092 0.007206 3C 1f-2 0.398779 0.415758 0.008805 0.032507 -0.006075 0.010642 3C 1f+3 -0.256468 -0.277131 -0.019181 -0.022198 -0.016787 0.024244 3C 1f-3 0.088152 0.090151 -0.010700 0.006686 -0.014653 0.019275 4C 1s -0.009452 0.006385 -0.000317 0.000904 -0.000383 -0.000130 4C 2s 0.001099 -0.008127 -0.000008 0.000511 -0.000928 -0.000347 4C 3s -1.509820 1.836536 -0.094233 0.133970 0.001890 0.003570 4C 4s 7.382339 -8.856080 0.494371 -0.669519 0.020510 -0.012944 4C 5s -1.022357 0.764912 0.118192 0.128717 0.030518 0.002067 4C 1pz 0.254815 -0.208936 -0.008092 -0.015486 -0.010570 -0.001611 4C 1px 0.049347 -0.040528 0.003360 0.002349 -0.001463 -0.003974 4C 1py 0.166188 -0.139275 0.000563 -0.014756 0.007953 0.003508 4C 2pz -4.680432 4.137262 0.077272 0.267850 0.073746 -0.066932 4C 2px -0.710043 0.685178 -0.017728 -0.055077 -0.019118 0.192492 4C 2py -3.023079 2.702418 0.033333 0.153381 -0.001594 0.019660 4C 3pz 0.386973 1.970469 0.020241 -0.117397 -0.020017 -0.029047 4C 3px 0.017222 0.392351 0.033814 -0.064188 0.008706 0.053635 4C 3py 0.231154 1.349284 0.025300 -0.099058 -0.013724 -0.002250 4C 1dz2 0.143282 -0.120511 -0.006268 0.005203 -0.005862 -0.003054 4C 1dxz 0.056334 -0.011152 -0.000054 0.000370 0.001148 0.000965 4C 1dyz 0.254526 -0.265949 0.004522 -0.010492 0.009665 0.003284 4C 1dx2y2 -0.037390 -0.025876 0.009308 -0.005939 0.003541 0.003286 4C 1dxy 0.074295 -0.099892 0.007993 -0.007861 -0.010979 -0.005710 4C 2dz2 1.118753 -1.092310 -0.003958 -0.034703 -0.021978 -0.055581 4C 2dxz 0.663671 -0.556611 -0.076229 -0.024067 -0.061005 0.080842 4C 2dyz 1.818541 -1.813111 0.018740 -0.134246 -0.018119 -0.006770 4C 2dx2y2 -0.524278 0.430749 0.056185 0.002605 -0.023799 -0.012898 4C 2dxy 0.457470 -0.479421 0.031700 -0.064020 0.028781 0.084249 4C 1f0 -0.092528 0.105340 0.006928 -0.006671 0.015674 0.015711 4C 1f+1 -0.152482 0.185108 -0.027762 0.026503 -0.003981 -0.003819 4C 1f-1 -0.525111 0.515226 0.002065 0.028033 0.004353 -0.010520 4C 1f+2 0.261944 -0.292719 0.011465 -0.020689 0.018802 -0.019100 4C 1f-2 -0.167846 0.162760 -0.009950 0.009924 0.010345 0.015044 4C 1f+3 -0.098012 0.082746 -0.001261 0.014642 0.003401 -0.022037 4C 1f-3 -0.079144 0.101899 -0.011786 0.029766 -0.001197 -0.024654 5C 1s -0.009096 -0.007005 0.000246 -0.000767 0.000921 -0.000563 5C 2s 0.000483 0.008189 0.001137 -0.000112 0.002239 -0.000826 5C 3s -1.390327 -1.932522 -0.090942 -0.147628 -0.028387 -0.048531 5C 4s 6.816382 9.333651 0.451574 0.735469 0.050791 0.263420 5C 5s -0.962549 -0.817440 0.084499 -0.219391 0.040986 0.044629 5C 1pz 0.138598 0.131099 0.002721 0.008021 0.005812 0.002944 5C 1px 0.089359 0.083598 -0.006021 0.008152 0.006345 -0.008633 5C 1py -0.240555 -0.224591 0.000512 -0.021801 -0.003342 -0.004124 5C 2pz -2.570351 -2.611960 -0.041091 -0.175224 -0.076081 -0.031019 5C 2px -1.540007 -1.509189 0.058215 -0.091890 0.003752 0.095892 5C 2py 4.371061 4.419910 0.042355 0.320769 0.093008 0.022313 5C 3pz 0.302672 -1.181371 -0.006453 0.106445 0.004336 -0.010852 5C 3px 0.140611 -0.740365 0.000299 0.014639 0.003501 0.020196 5C 3py -0.491286 1.940880 0.011710 -0.172168 -0.006775 0.010518 5C 1dz2 -0.063609 -0.111308 -0.002128 -0.013064 0.007649 -0.005835 5C 1dxz 0.059875 0.027473 -0.007274 -0.005077 -0.015724 0.012649 5C 1dyz -0.216921 -0.273588 -0.005765 -0.004236 0.006854 -0.007733 5C 1dx2y2 -0.117065 -0.068787 -0.002111 0.002299 0.001657 0.013676 5C 1dxy -0.125978 -0.125725 0.001945 -0.005730 -0.000196 0.003267 5C 2dz2 -0.367759 -0.471810 -0.052220 -0.067081 -0.026788 -0.016178 5C 2dxz 0.593710 0.601283 0.024962 0.031036 0.088328 -0.034338 5C 2dyz -1.465465 -1.686656 -0.034547 -0.130158 -0.035831 -0.012599 5C 2dx2y2 -1.055304 -1.085280 0.040361 -0.058694 -0.022892 0.024082 5C 2dxy -1.027167 -1.138001 -0.035495 -0.086198 -0.038004 -0.045090 5C 1f0 0.283088 0.300582 -0.005789 0.006817 0.006829 0.014612 5C 1f+1 -0.019113 -0.051243 -0.008187 -0.006569 0.005954 -0.017851 5C 1f-1 0.058465 0.068323 0.010105 -0.004938 0.009049 0.006241 5C 1f+2 0.315767 0.353216 0.016861 0.026557 0.006245 -0.007291 5C 1f-2 0.270653 0.328363 -0.003372 0.022432 -0.006297 0.004132 5C 1f+3 -0.293428 -0.350287 -0.003528 -0.025038 -0.001226 -0.014599 5C 1f-3 0.151154 0.205863 0.023578 0.034068 -0.005733 0.012551 6C 1s -0.009147 -0.006964 0.000215 0.000801 -0.000942 -0.000493 6C 2s 0.000493 0.008179 0.001115 0.000198 -0.002261 -0.000647 6C 3s -1.401134 -1.923643 -0.095180 0.144694 0.026295 -0.051648 6C 4s 6.868774 9.289491 0.473244 -0.722586 -0.041902 0.271904 6C 5s -0.962101 -0.822772 0.082182 0.218433 -0.044726 0.045958 6C 1pz -0.139255 -0.130744 -0.002659 0.007558 0.004881 -0.003210 6C 1px -0.089620 -0.083153 0.005777 0.008557 0.006727 0.007938 6C 1py 0.241692 0.223777 -0.000199 -0.021353 -0.002861 0.004539 6C 2pz 2.583097 2.607684 0.039741 -0.167069 -0.062591 0.036954 6C 2px 1.540256 1.494831 -0.050889 -0.096340 -0.016931 -0.094364 6C 2py -4.390902 -4.408632 -0.043646 0.309940 0.081079 -0.031091 6C 3pz -0.303913 1.180572 0.002602 0.110353 0.008951 0.009782 6C 3px -0.140978 0.740986 0.000393 0.014003 -0.000851 -0.020348 6C 3py 0.492936 -1.940995 -0.005889 -0.178235 -0.014173 -0.008760 6C 1dz2 -0.064493 -0.111044 -0.002559 0.013225 -0.006884 -0.005335 6C 1dxz 0.059721 0.027773 -0.007686 0.005104 0.016609 0.011280 6C 1dyz -0.217997 -0.272503 -0.006090 0.004142 -0.008049 -0.007250 6C 1dx2y2 -0.117025 -0.068837 -0.002196 -0.002663 -0.000861 0.013688 6C 1dxy -0.126615 -0.125987 0.002135 0.005430 0.000172 0.003348 6C 2dz2 -0.372260 -0.470225 -0.054069 0.065538 0.023936 -0.019232 6C 2dxz 0.597271 0.602403 0.023045 -0.027386 -0.082479 -0.027386 6C 2dyz -1.473079 -1.677352 -0.037748 0.128397 0.038428 -0.015853 6C 2dx2y2 -1.056829 -1.080540 0.039931 0.057550 0.026533 0.021766 6C 2dxy -1.035454 -1.138467 -0.034473 0.081415 0.024323 -0.048221 6C 1f0 -0.284786 -0.300384 0.006252 0.006449 0.003181 -0.015050 6C 1f+1 0.020108 0.051429 0.008051 -0.006414 0.008405 0.017294 6C 1f-1 -0.058846 -0.068139 -0.009700 -0.005630 0.006540 -0.006533 6C 1f+2 -0.317431 -0.351723 -0.017645 0.025375 0.008118 0.006500 6C 1f-2 -0.271662 -0.325981 0.002313 0.022980 -0.004493 -0.003796 6C 1f+3 0.295712 0.349276 0.003871 -0.025157 0.001544 0.014609 6C 1f-3 -0.152411 -0.204724 -0.024954 0.033037 -0.005762 -0.012489 7C 1s -0.009480 0.006411 -0.000287 -0.000954 0.000362 -0.000145 7C 2s 0.001090 -0.008130 -0.000019 -0.000591 0.000827 -0.000394 7C 3s -1.513097 1.841425 -0.087060 -0.136623 0.003554 0.004346 7C 4s 7.398513 -8.879382 0.459333 0.685984 -0.046094 -0.015495 7C 5s -1.027874 0.769821 0.128350 -0.122832 -0.033994 0.006812 7C 1pz -0.254961 0.209164 0.009201 -0.014845 -0.009714 0.002466 7C 1px -0.048798 0.040087 -0.003106 0.002599 -0.001273 0.004200 7C 1py -0.167464 0.140395 0.000330 -0.014620 0.006885 -0.003979 7C 2pz 4.688748 -4.145724 -0.094382 0.256878 0.071556 0.059620 7C 2px 0.691865 -0.669884 0.009471 -0.060345 -0.024200 -0.192106 7C 2py 3.044168 -2.722503 -0.046914 0.146671 -0.000915 -0.020984 7C 3pz -0.392121 -1.966436 -0.013656 -0.123038 -0.020780 0.031608 7C 3px -0.016422 -0.390686 -0.031476 -0.067666 0.005449 -0.052724 7C 3py -0.235285 -1.350479 -0.020096 -0.104302 -0.015781 0.004468 7C 1dz2 0.142421 -0.119860 -0.006441 -0.005734 0.005043 -0.003559 7C 1dxz 0.056592 -0.011171 0.000428 -0.000588 -0.001156 0.001215 7C 1dyz 0.255893 -0.267246 0.004170 0.010698 -0.008984 0.003829 7C 1dx2y2 -0.038454 -0.025330 0.008992 0.006435 -0.003516 0.003607 7C 1dxy 0.074739 -0.100355 0.008096 0.008463 0.009306 -0.006412 7C 2dz2 1.109691 -1.083600 -0.010051 0.030588 0.018817 -0.057548 7C 2dxz 0.665503 -0.557446 -0.076754 0.019860 0.060945 0.076517 7C 2dyz 1.828115 -1.823845 0.010107 0.132400 0.015376 -0.009013 7C 2dx2y2 -0.532280 0.438858 0.058094 0.001560 0.018923 -0.014775 7C 2dxy 0.461963 -0.483375 0.030486 0.066538 -0.025862 0.086356 7C 1f0 0.089052 -0.102084 -0.007110 -0.006888 0.013201 -0.016903 7C 1f+1 0.150707 -0.183462 0.026453 0.027249 -0.004895 0.004076 7C 1f-1 0.526767 -0.516928 -0.003622 0.027582 0.004338 0.010054 7C 1f+2 -0.264033 0.295089 -0.010066 -0.021384 0.018210 0.018025 7C 1f-2 0.167027 -0.162211 0.009127 0.009533 0.008461 -0.015934 7C 1f+3 0.099189 -0.083707 0.001071 0.014393 0.003262 0.021700 7C 1f-3 0.081771 -0.104546 0.011265 0.030657 -0.001163 0.024586 8C 1s 0.016413 0.014410 -0.000154 -0.000407 -0.000424 0.000252 8C 2s 0.004349 -0.001579 -0.000818 0.000880 -0.000771 0.000074 8C 3s 1.632062 1.867620 0.048973 -0.135344 0.001306 0.030918 8C 4s -8.450865 -9.470943 -0.203437 0.659500 0.078004 -0.139491 8C 5s 2.909076 0.441681 -0.010385 -0.430788 0.015994 0.011738 8C 1pz -0.112332 -0.141848 -0.004831 0.010481 -0.003883 -0.006141 8C 1px -0.061331 -0.078794 0.001280 0.003847 -0.008105 -0.008005 8C 1py 0.172834 0.223588 0.012394 -0.018085 -0.001781 -0.001178 8C 2pz 2.532853 2.896006 0.032708 -0.160569 0.008475 0.125282 8C 2px 1.502762 1.686033 -0.034794 -0.121895 0.109303 0.157362 8C 2py -4.069208 -4.652920 -0.151833 0.347462 0.153853 0.052993 8C 3pz -0.175147 0.136820 0.014296 0.031474 -0.006617 -0.013641 8C 3px -0.050189 0.228995 0.007710 0.047610 -0.010741 -0.012856 8C 3py 0.173349 -0.453081 -0.015314 -0.048611 -0.004844 -0.023250 8C 1dz2 0.062525 0.068268 0.002225 0.001061 -0.000442 0.004682 8C 1dxz -0.087493 -0.100923 -0.011229 0.013178 0.008945 0.007576 8C 1dyz 0.243040 0.268401 -0.001810 -0.015641 -0.004555 -0.003047 8C 1dx2y2 0.179960 0.198464 -0.007024 -0.001911 0.005817 0.015085 8C 1dxy 0.164660 0.183073 0.010336 -0.013819 -0.009329 -0.001513 8C 2dz2 0.246174 0.290291 0.025808 -0.027091 -0.042691 -0.043752 8C 2dxz -0.471487 -0.544239 -0.054469 0.031816 0.102643 0.107688 8C 2dyz 1.149883 1.274524 0.044229 -0.137702 -0.016984 -0.000466 8C 2dx2y2 0.940169 1.064691 0.009644 -0.051531 0.007518 0.060934 8C 2dxy 0.801608 0.911155 -0.006208 -0.033382 0.027407 0.056592 8C 1f0 -0.193731 -0.221767 0.002725 0.002572 -0.007819 -0.022091 8C 1f+1 0.023616 0.014857 -0.003905 -0.013227 0.010367 0.006795 8C 1f-1 0.071217 0.071868 -0.005048 0.012216 0.012746 0.027374 8C 1f+2 -0.526386 -0.549555 -0.007014 0.031771 -0.001775 -0.007095 8C 1f-2 -0.404081 -0.418070 -0.009396 0.031871 -0.006891 -0.010570 8C 1f+3 0.256334 0.274973 0.019415 -0.021008 -0.017406 -0.022645 8C 1f-3 -0.089708 -0.091150 0.010857 0.007129 -0.015983 -0.017997 9C 1s 0.017262 -0.013387 -0.000392 0.000652 0.000165 0.000245 9C 2s 0.004201 0.001877 -0.000864 -0.000304 0.000229 0.000233 9C 3s 1.745251 -1.769397 0.024657 0.121575 -0.002227 0.014282 9C 4s -9.015725 8.956930 -0.051793 -0.589135 -0.023360 -0.058454 9C 5s 2.964589 -0.281829 -0.044236 0.341454 0.053902 -0.008667 9C 1pz -0.189505 0.215846 -0.008872 -0.014938 0.007482 -0.006875 9C 1px -0.026576 0.031887 -0.005183 -0.009760 0.002129 0.002920 9C 1py -0.128854 0.146284 -0.002370 -0.008787 -0.006452 0.005353 9C 2pz 4.382993 -4.443962 0.052520 0.269412 -0.059831 0.079775 9C 2px 0.738393 -0.733124 0.048097 0.107427 -0.010464 -0.048059 9C 2py 2.973493 -3.022109 -0.039517 0.161313 0.142617 -0.123280 9C 3pz -0.177477 -0.425196 0.006785 -0.056416 -0.000064 -0.009087 9C 3px 0.033327 -0.203468 0.015846 0.009135 -0.002704 0.020664 9C 3py -0.137000 -0.252581 0.021332 -0.009997 -0.024462 0.024536 9C 1dz2 -0.191319 0.188121 -0.000334 -0.018585 -0.004112 0.007816 9C 1dxz -0.095592 0.098063 0.009307 0.004469 -0.001384 -0.002500 9C 1dyz -0.298779 0.293566 -0.000136 -0.011547 -0.001919 0.003041 9C 1dx2y2 0.084640 -0.083863 0.000224 0.000958 -0.000189 0.004313 9C 1dxy -0.066505 0.065166 0.004759 0.005074 0.001807 -0.005173 9C 2dz2 -0.966097 0.969221 -0.000461 -0.053554 0.005201 -0.008191 9C 2dxz -0.498425 0.523236 0.026866 -0.022104 -0.033144 0.044632 9C 2dyz -1.431398 1.420880 -0.016930 -0.101207 -0.026804 0.025130 9C 2dx2y2 0.489779 -0.492266 0.001882 0.002038 -0.028290 0.044667 9C 2dxy -0.265121 0.269478 -0.045972 -0.034316 0.074068 -0.055091 9C 1f0 0.143911 -0.131541 -0.001608 0.020837 0.005717 -0.010380 9C 1f+1 0.122141 -0.112554 0.002870 0.014892 -0.015265 0.010397 9C 1f-1 0.538366 -0.513447 0.006169 0.028067 -0.004624 0.007802 9C 1f+2 -0.403387 0.362983 -0.005061 -0.022827 -0.006881 -0.003670 9C 1f-2 0.363348 -0.336933 -0.007758 0.018254 0.001634 0.000001 9C 1f+3 -0.104925 0.082258 -0.009949 -0.011263 0.012620 -0.021044 9C 1f-3 -0.020963 0.024674 0.003958 -0.000278 0.001680 -0.003184 10H 1s 0.146846 -0.108640 0.008155 -0.021691 -0.005379 -0.002320 10H 2s 0.109020 -0.073798 0.032770 -0.053225 -0.015664 -0.023837 10H 3s -0.373252 0.217403 0.003094 0.035154 0.011626 0.015965 10H 1pz 0.127638 -0.108881 0.005947 -0.019936 -0.011908 -0.013460 10H 1px -0.073507 0.048507 -0.008879 0.018803 0.000581 0.001222 10H 1py 0.058681 -0.051039 0.011174 -0.011166 0.012201 0.006443 11H 1s 0.208935 -0.190829 -0.014346 -0.004496 -0.018778 -0.009101 11H 2s 0.292212 -0.288269 -0.058819 -0.001142 -0.105117 -0.053676 11H 3s -0.519511 0.424261 0.017864 0.030898 0.045437 0.020014 11H 1pz 0.162083 -0.145767 -0.012469 -0.010997 -0.027421 -0.011359 11H 1px 0.135899 -0.129321 -0.011400 -0.001464 -0.013282 -0.003518 11H 1py -0.032143 0.033258 0.009014 -0.000899 0.017538 0.011556 12H 1s 0.184869 -0.158101 0.006797 -0.005109 0.025445 0.026980 12H 2s 0.206350 -0.187093 0.053273 -0.011627 0.145534 0.131691 12H 3s -0.468183 0.341941 -0.023308 0.053367 -0.044752 -0.049241 12H 1pz 0.033283 -0.030422 -0.003473 -0.001030 -0.007341 -0.004364 12H 1px 0.092431 -0.084847 0.001645 0.000440 0.015894 0.018789 12H 1py 0.160220 -0.137927 0.016407 -0.009955 0.044314 0.043860 13H 1s 0.143056 0.123056 -0.010039 0.016914 -0.022573 0.021695 13H 2s 0.114800 0.087428 -0.027172 0.038583 -0.089868 0.090547 13H 3s -0.366224 -0.243314 0.001195 -0.066928 0.027142 -0.032664 13H 1pz 0.098428 0.088348 -0.003035 0.015081 -0.011783 0.006330 13H 1px -0.051202 -0.036799 0.009549 -0.007765 0.025363 -0.027376 13H 1py -0.105715 -0.105306 0.009812 -0.006047 0.019659 -0.022943 14H 1s 0.162349 0.157893 0.019258 0.018811 0.025365 -0.038294 14H 2s 0.153071 0.177914 0.084159 0.030956 0.137401 -0.187048 14H 3s -0.409933 -0.353422 -0.025177 -0.037869 -0.040387 0.063155 14H 1pz 0.077882 0.076998 0.017954 0.018237 0.020704 -0.029257 14H 1px 0.135834 0.142304 0.026504 0.014853 0.039858 -0.052838 14H 1py -0.047075 -0.049969 -0.001019 -0.005230 -0.002140 -0.005799 15H 1s 0.199942 0.209408 -0.006831 -0.003733 -0.011748 0.028611 15H 2s 0.298449 0.322789 -0.034391 -0.042140 -0.062289 0.129586 15H 3s -0.505675 -0.468292 0.007098 -0.035042 0.019869 -0.050371 15H 1pz -0.076542 -0.085907 0.006989 0.011219 0.011575 -0.025562 15H 1px 0.062881 0.066973 0.003890 -0.000117 0.009842 -0.008274 15H 1py -0.182773 -0.186207 0.007715 -0.000097 0.021926 -0.044178 16H 1s 0.004297 0.012351 -0.001258 -0.001894 0.001633 0.005670 16H 2s -0.004616 0.052258 -0.000985 -0.030238 -0.001198 0.021659 16H 3s -0.003231 -0.016494 0.011471 -0.001261 0.001277 0.016123 16H 1pz -0.003845 0.027406 0.001441 -0.013001 0.000330 0.011124 16H 1px 0.008615 -0.002775 -0.014718 0.002009 0.002726 -0.013087 16H 1py -0.002888 0.015218 -0.009005 0.012121 0.002920 0.004120 17H 1s 0.005853 -0.012427 0.002665 -0.005550 -0.001731 -0.007587 17H 2s -0.000910 -0.044353 0.012593 -0.043097 -0.005803 -0.016398 17H 3s -0.009048 0.013952 0.011532 0.000417 -0.004910 -0.010568 17H 1pz -0.006016 0.015324 0.002618 0.014701 -0.000451 0.004494 17H 1px 0.005775 0.016128 -0.019131 0.016828 0.006915 0.010058 17H 1py -0.000688 -0.016074 -0.005764 0.006514 0.000377 -0.007451 18H 1s 0.005775 -0.012209 0.002208 0.005552 0.000970 -0.007799 18H 2s -0.001017 -0.043857 0.011234 0.043610 0.003202 -0.017826 18H 3s -0.009043 0.013717 0.011493 0.000515 0.002806 -0.011134 18H 1pz 0.006009 -0.015735 -0.003398 0.014515 -0.000211 -0.004830 18H 1px -0.005927 -0.015962 0.018623 0.017603 0.004379 -0.011046 18H 1py 0.000836 0.015094 0.005816 0.007380 0.000912 0.007263 19H 1s 0.004457 0.012146 -0.001071 0.002054 -0.000770 0.005904 19H 2s -0.004614 0.052183 -0.003064 0.029234 0.002658 0.020637 19H 3s -0.003093 -0.016624 0.011328 0.001055 -0.001105 0.016166 19H 1pz 0.003655 -0.026739 -0.000954 -0.013070 -0.000746 -0.010756 19H 1px -0.008665 0.003009 0.014435 0.002185 0.002441 0.012779 19H 1py 0.002840 -0.016045 0.008657 0.012318 0.002081 -0.004562 20H 1s 0.200795 0.208656 -0.006976 0.003747 0.014844 0.027985 20H 2s 0.299091 0.320086 -0.036239 0.041860 0.074411 0.125997 20H 3s -0.508250 -0.465454 0.006031 0.034818 -0.024154 -0.049861 20H 1pz 0.076846 0.085328 -0.007368 0.011074 0.014197 0.025082 20H 1px -0.064556 -0.068227 -0.003730 -0.000448 0.009096 0.006813 20H 1py 0.183000 0.184678 -0.007971 -0.000056 0.026040 0.042703 21H 1s 0.163987 0.158735 0.019751 -0.017885 -0.026394 -0.035956 21H 2s 0.156279 0.180090 0.084859 -0.028100 -0.142809 -0.175426 21H 3s -0.413604 -0.354605 -0.025895 0.037015 0.040628 0.059405 21H 1pz -0.079393 -0.077975 -0.018612 0.017662 0.022016 0.027945 21H 1px -0.137011 -0.142714 -0.026742 0.013666 0.040560 0.049095 21H 1py 0.046801 0.049050 0.001059 -0.005110 -0.001428 0.006246 22H 1s 0.143444 0.122799 -0.009694 -0.017419 0.023014 0.019469 22H 2s 0.114878 0.087279 -0.026421 -0.039953 0.089443 0.081054 22H 3s -0.367147 -0.242526 -0.000361 0.066687 -0.027103 -0.029932 22H 1pz -0.098443 -0.088053 0.002760 0.015223 -0.010789 -0.004674 22H 1px 0.051245 0.036862 -0.009438 -0.008202 0.026114 0.024842 22H 1py 0.106548 0.105309 -0.009872 -0.006444 0.019926 0.021181 23H 1s 0.186976 -0.160497 0.006294 0.005685 -0.020791 0.028528 23H 2s 0.210828 -0.192918 0.052020 0.014768 -0.122074 0.140851 23H 3s -0.472659 0.348499 -0.020483 -0.055031 0.035781 -0.051300 23H 1pz -0.032092 0.029094 0.003661 -0.000832 -0.005956 0.005067 23H 1px -0.091449 0.084371 -0.001240 0.000360 0.012135 -0.018884 23H 1py -0.163342 0.141356 -0.015755 -0.010993 0.037517 -0.046967 24H 1s 0.209251 -0.190856 -0.014616 0.003976 0.016447 -0.010673 24H 2s 0.290246 -0.286345 -0.059124 -0.002174 0.092422 -0.062215 24H 3s -0.519357 0.423790 0.019873 -0.030286 -0.039078 0.023861 24H 1pz -0.161047 0.144762 0.013038 -0.010134 -0.023863 0.013424 24H 1px -0.137643 0.130980 0.011901 -0.000925 -0.012573 0.005109 24H 1py 0.029857 -0.030926 -0.008640 -0.001271 0.014634 -0.012783 25H 1s 0.147844 -0.109360 0.007356 0.021871 0.003373 -0.002311 25H 2s 0.111014 -0.074847 0.031975 0.054046 0.008663 -0.023092 25H 3s -0.375463 0.218715 0.004872 -0.035081 -0.008640 0.016124 25H 1pz -0.128711 0.109605 -0.005374 -0.019983 -0.009275 0.014056 25H 1px 0.074283 -0.048950 0.008478 0.018987 -0.000952 -0.000640 25H 1py -0.058788 0.051399 -0.010636 -0.011365 0.010754 -0.007313 26O 1s 0.000282 0.002085 -0.000388 -0.000242 0.000013 -0.000624 26O 2s 0.000221 0.008705 -0.001616 -0.000284 0.000144 -0.002757 26O 3s 0.067918 -0.178213 0.026153 -0.015114 -0.001518 0.042245 26O 4s -0.239467 0.612545 -0.071985 0.060380 0.002884 -0.160697 26O 5s 0.125515 -0.796092 -0.177891 0.250228 -0.010921 0.006097 26O 1pz -0.019336 0.035747 -0.007833 0.008091 -0.004654 -0.002082 26O 1px 0.020252 -0.000830 -0.002227 0.004755 -0.003226 0.000824 26O 1py -0.010293 0.020094 0.003671 -0.002301 0.009772 0.008132 26O 2pz 0.028021 -0.101987 0.034008 -0.034471 0.016792 0.013070 26O 2px 0.121944 -0.282702 0.047959 -0.083692 0.010328 0.062747 26O 2py 0.080202 -0.170294 0.013650 -0.027595 -0.028014 0.002684 26O 3pz 0.112620 -0.411028 -0.008258 0.076157 -0.001601 0.007412 26O 3px 0.007395 -0.134585 0.084007 0.005546 -0.000201 0.041948 26O 3py 0.065521 -0.287789 0.032966 0.010052 0.020608 0.054466 26O 1dz2 -0.016425 0.020945 -0.000328 0.006284 -0.008105 -0.004436 26O 1dxz 0.009570 -0.014370 -0.004763 0.006733 -0.005599 -0.005278 26O 1dyz 0.000525 0.015157 -0.006350 0.007610 0.000610 0.004675 26O 1dx2y2 0.004903 -0.010022 -0.002915 -0.000433 -0.005906 -0.001926 26O 1dxy 0.013225 -0.015938 -0.001927 0.000003 0.003236 -0.002883 26O 2dz2 0.026928 -0.082563 0.013964 -0.012864 0.005561 0.010357 26O 2dxz 0.003058 -0.004542 -0.018315 0.017060 -0.002738 -0.011335 26O 2dyz -0.008668 -0.006565 -0.011004 0.012121 -0.002407 -0.010555 26O 2dx2y2 -0.045491 0.101169 -0.012142 0.015805 -0.004455 -0.013573 26O 2dxy -0.045737 0.086657 -0.017171 0.024443 0.007961 -0.014871 26O 1f0 -0.012183 0.015654 -0.128148 0.081756 -0.374546 -0.209509 26O 1f+1 0.014783 -0.032843 0.063915 -0.047035 0.084127 0.010915 26O 1f-1 -0.016955 0.014631 -0.056509 0.087147 -0.007093 0.098035 26O 1f+2 -0.004604 0.020328 -0.068846 0.053819 -0.178584 -0.087898 26O 1f-2 0.043807 -0.041062 -0.081583 0.029641 -0.236510 -0.137309 26O 1f+3 -0.009296 0.005356 -0.025990 0.037051 -0.031441 0.019600 26O 1f-3 -0.032741 0.010576 -0.019040 -0.007890 -0.053820 -0.046680 27O 1s 0.000520 -0.001895 -0.000327 0.000062 -0.000530 -0.000287 27O 2s 0.001510 -0.008014 -0.001506 0.000074 -0.001840 -0.001482 27O 3s 0.041602 0.174432 0.024108 0.009191 0.016787 0.028258 27O 4s -0.138848 -0.601962 -0.073894 -0.031390 -0.034507 -0.104050 27O 5s 0.139119 0.775366 -0.202041 -0.148082 0.039103 -0.070089 27O 1pz -0.017967 -0.026034 0.009594 -0.003142 0.007865 -0.011607 27O 1px 0.021639 -0.003966 -0.005094 -0.005569 -0.000043 -0.002362 27O 1py 0.013436 0.035432 -0.001239 -0.001940 0.002223 -0.004005 27O 2pz 0.019260 0.042545 -0.033405 0.005135 -0.030765 0.038473 27O 2px 0.071374 0.320487 0.060102 0.059960 -0.001666 0.066253 27O 2py -0.023748 -0.136803 -0.001806 -0.003879 -0.000686 -0.000966 27O 3pz 0.047839 0.237927 -0.021319 -0.051199 0.003902 -0.037856 27O 3px -0.010022 0.209129 0.112389 0.031272 0.009581 0.063262 27O 3py -0.108357 -0.417045 -0.004242 0.017372 -0.010536 -0.051805 27O 1dz2 -0.006523 -0.004383 -0.003133 -0.001663 0.006156 -0.013210 27O 1dxz 0.005254 0.005018 0.003456 -0.004867 0.004097 0.003407 27O 1dyz 0.005299 0.019703 0.005006 0.006129 -0.005893 0.006830 27O 1dx2y2 0.014372 0.026982 0.006286 0.005173 -0.001946 -0.001750 27O 1dxy -0.009005 -0.011081 -0.001781 -0.001303 0.000557 0.005278 27O 2dz2 0.026123 0.075896 0.006743 0.010612 -0.003541 0.017543 27O 2dxz 0.007375 0.026803 0.015114 0.008179 0.010912 -0.010873 27O 2dyz 0.010958 -0.008002 0.006515 -0.000207 0.002643 0.002621 27O 2dx2y2 -0.034077 -0.134156 -0.013406 -0.021856 0.000966 -0.021823 27O 2dxy 0.011780 0.026446 0.000918 -0.000262 0.003153 0.008248 27O 1f0 0.014273 0.022017 0.003641 -0.011502 0.013928 -0.087661 27O 1f+1 -0.027890 -0.013526 -0.043909 0.003196 -0.124383 0.139575 27O 1f-1 0.023580 0.022822 -0.115231 0.051829 -0.324848 0.334250 27O 1f+2 0.005462 0.009056 0.014624 0.018537 0.015201 -0.086126 27O 1f-2 -0.033702 -0.048064 -0.004796 0.014036 -0.015882 0.028253 27O 1f+3 0.002703 0.025084 0.040148 -0.001621 0.083443 -0.076216 27O 1f-3 0.028440 0.017047 0.018666 -0.008539 0.044702 -0.035022 28O 1s 0.000746 0.001662 -0.000380 -0.000110 0.000204 0.000546 28O 2s 0.003435 0.006186 -0.001792 -0.000539 0.000401 0.002471 28O 3s -0.001104 -0.128455 0.029823 0.002082 0.003255 -0.038932 28O 4s 0.076026 0.387660 -0.092025 -0.004488 -0.035211 0.153894 28O 5s 0.248314 -0.856916 -0.257094 0.052969 -0.032052 0.025518 28O 1pz 0.004362 0.026809 0.001372 0.003092 -0.000413 0.001076 28O 1px -0.036083 0.023119 0.010729 0.000984 0.002002 0.003120 28O 1py -0.014345 0.025789 -0.002361 -0.003884 -0.004480 -0.005179 28O 2pz -0.026745 -0.185987 0.033716 -0.016596 0.014479 -0.049536 28O 2px 0.058560 0.101840 -0.077448 0.010290 -0.026798 0.045669 28O 2py 0.016864 -0.080266 0.012720 0.009885 0.023139 0.011549 28O 3pz 0.138688 -0.427344 0.036567 -0.005670 -0.004114 -0.047128 28O 3px 0.135041 -0.089953 -0.106074 0.032594 -0.015796 0.053776 28O 3py 0.111305 -0.291790 -0.024099 -0.027506 0.006042 -0.034813 28O 1dz2 -0.002644 0.003894 -0.000044 0.005556 0.003465 0.001195 28O 1dxz -0.011851 0.022649 -0.007292 0.002428 0.002404 -0.000014 28O 1dyz -0.006011 0.017126 -0.005428 -0.001163 0.000530 -0.003300 28O 1dx2y2 0.004870 -0.005246 0.001545 -0.003539 0.007969 0.005800 28O 1dxy -0.007624 0.014903 -0.004522 0.004417 -0.005888 -0.008224 28O 2dz2 -0.005067 -0.006557 0.002869 -0.007479 0.005947 0.010462 28O 2dxz 0.005507 -0.093359 0.014721 -0.005997 0.005034 -0.022686 28O 2dyz -0.011826 0.001812 -0.009517 -0.008252 -0.006339 0.006641 28O 2dx2y2 -0.007767 0.069557 -0.019301 0.011978 -0.008268 0.007949 28O 2dxy -0.005673 -0.010366 0.000820 0.003823 0.012320 0.000799 28O 1f0 0.018829 -0.027071 0.015643 0.019121 0.009078 0.046572 28O 1f+1 -0.024474 0.009359 0.022242 0.034892 0.040593 0.060002 28O 1f-1 0.036671 -0.035165 0.040560 0.010656 0.045112 -0.026593 28O 1f+2 0.020785 0.001533 0.056482 0.028520 0.128389 0.129489 28O 1f-2 -0.036959 0.035263 0.026304 -0.005041 0.044302 -0.035367 28O 1f+3 0.011961 -0.004972 -0.085636 -0.003409 -0.174714 -0.129324 28O 1f-3 0.023013 -0.037926 0.001597 -0.000576 0.046225 0.081808 29O 1s 0.001897 0.000033 -0.000163 -0.001035 -0.000136 0.000044 29O 2s 0.006146 0.000071 -0.000574 -0.003127 -0.000424 0.000160 29O 3s -0.056710 0.000285 0.007608 0.024566 0.003644 -0.001773 29O 4s 0.135104 -0.001658 -0.032112 -0.051491 -0.008754 0.004535 29O 5s -0.197023 -0.006940 0.064709 0.143261 0.018985 -0.004160 29O 1pz -0.002728 -0.011504 0.001358 0.002754 -0.001312 -0.004710 29O 1px 0.013010 -0.003471 -0.001175 -0.010232 0.000419 -0.003513 29O 1py -0.000869 -0.000088 -0.000875 0.000857 0.002529 -0.000241 29O 2pz 0.001941 0.062422 -0.008554 -0.004095 0.005598 0.024708 29O 2px -0.029466 0.019917 0.001448 0.032127 0.000850 0.012989 29O 2py -0.000227 -0.001151 0.003064 -0.008205 -0.006912 -0.001035 29O 3pz -0.014721 0.004933 0.010104 0.004334 -0.000445 0.003661 29O 3px 0.070145 0.005171 -0.039557 -0.019433 -0.003785 0.000312 29O 3py 0.008911 -0.002862 0.015031 -0.060019 0.003429 -0.001147 29O 1dz2 -0.000522 -0.001621 -0.007419 0.005984 0.001342 0.003295 29O 1dxz -0.002700 0.000172 -0.007333 0.008933 0.000738 -0.008630 29O 1dyz -0.002570 -0.005965 0.006785 -0.003636 -0.001949 -0.004280 29O 1dx2y2 0.003728 -0.000524 0.000731 -0.008038 -0.000935 -0.004005 29O 1dxy 0.004225 -0.001661 -0.011728 0.006834 0.003386 -0.005346 29O 2dz2 0.003102 -0.016437 0.001516 -0.001816 -0.000852 -0.005541 29O 2dxz 0.000635 0.012510 -0.012763 0.012632 0.002740 0.002976 29O 2dyz -0.000015 -0.026876 0.003393 -0.000342 -0.002248 -0.011860 29O 2dx2y2 -0.000680 0.003397 0.025716 -0.027925 -0.003435 0.003169 29O 2dxy 0.003903 -0.011159 -0.003185 -0.003673 -0.000364 -0.006152 29O 1f0 0.002400 -0.001624 -0.168824 0.176089 0.024082 -0.017022 29O 1f+1 -0.000106 -0.011823 0.141088 -0.147066 -0.019770 0.017950 29O 1f-1 -0.003937 -0.004026 0.266594 -0.267281 -0.036371 0.027255 29O 1f+2 -0.013706 0.007903 0.305743 -0.295673 -0.040409 0.030962 29O 1f-2 -0.005211 0.002290 -0.068833 0.086758 0.008279 -0.000694 29O 1f+3 -0.016723 -0.005193 0.130740 -0.095494 -0.017114 0.022964 29O 1f-3 -0.000569 -0.000999 -0.428451 0.451246 0.055669 -0.041493 30O 1s 0.000775 -0.001742 0.000019 0.000885 -0.000365 -0.000043 30O 2s 0.003219 -0.006463 -0.000000 0.002796 -0.001069 0.000040 30O 3s 0.004103 0.134068 0.004500 -0.016873 0.003654 -0.000553 30O 4s 0.044156 -0.400884 -0.007779 0.032184 0.027113 0.007416 30O 5s 0.127394 0.884313 -0.078524 -0.185613 0.073512 -0.046251 30O 1pz 0.000298 -0.013670 -0.005703 -0.007217 -0.003023 0.007890 30O 1px -0.033489 -0.030941 -0.008148 -0.006434 -0.002786 0.005756 30O 1py 0.000320 0.028351 -0.000321 0.002224 -0.006450 0.010975 30O 2pz 0.005780 0.134659 0.028228 0.042178 -0.000665 -0.025851 30O 2px 0.033674 -0.074078 0.015527 -0.010308 0.027918 -0.017315 30O 2py 0.007978 -0.164851 -0.014939 -0.031949 0.036650 -0.030390 30O 3pz 0.036892 0.248687 0.016117 -0.066904 -0.004710 0.045368 30O 3px 0.120434 0.172605 -0.042499 -0.006271 0.020757 0.006705 30O 3py -0.112302 -0.446669 -0.009672 0.057585 0.004087 0.022671 30O 1dz2 0.005982 0.008040 0.000250 -0.003306 -0.003916 0.004100 30O 1dxz -0.006187 -0.017660 0.001994 -0.001136 -0.002892 0.008169 30O 1dyz -0.002266 0.008142 0.005851 0.007991 0.004673 -0.003098 30O 1dx2y2 0.005319 0.002963 0.002236 0.007992 -0.006200 0.005922 30O 1dxy 0.012223 0.026678 0.000732 0.005295 -0.001697 0.005649 30O 2dz2 0.006435 0.018980 -0.005007 -0.000810 -0.007408 0.004142 30O 2dxz 0.012190 0.073591 0.010395 0.009485 0.001481 -0.002285 30O 2dyz 0.016572 0.038318 0.012320 0.013334 0.000514 -0.003707 30O 2dx2y2 -0.003799 -0.044917 0.010904 0.004755 0.003832 -0.007158 30O 2dxy 0.000978 -0.069069 -0.006930 -0.010394 0.013836 -0.008382 30O 1f0 -0.030106 -0.020221 0.077689 0.061774 0.089770 -0.118798 30O 1f+1 0.016704 0.030661 0.022381 0.030212 -0.042052 0.094945 30O 1f-1 -0.012614 -0.021653 0.056377 0.029371 0.156086 -0.257131 30O 1f+2 -0.020306 -0.028551 -0.020484 0.028644 -0.149359 0.204305 30O 1f-2 0.044286 0.030283 0.092220 0.086996 0.118919 -0.177355 30O 1f+3 -0.005253 0.005221 0.052210 0.019956 0.148992 -0.209628 30O 1f-3 -0.020166 -0.040095 -0.023745 -0.059862 0.029676 -0.026203 31O 1s 0.000779 -0.001729 0.000007 -0.000857 0.000433 -0.000067 31O 2s 0.003233 -0.006370 -0.000075 -0.002679 0.001383 -0.000036 31O 3s 0.004130 0.131866 0.006127 0.015391 -0.008542 -0.000166 31O 4s 0.045251 -0.392806 -0.013207 -0.027783 -0.008347 0.009030 31O 5s 0.126526 0.895393 -0.090879 0.194632 -0.066506 -0.042383 31O 1pz -0.000190 0.013151 0.006092 -0.007182 -0.003214 -0.007553 31O 1px 0.033635 0.031351 0.008072 -0.005733 -0.003221 -0.005416 31O 1py -0.000634 -0.027882 0.000346 0.002130 -0.007283 -0.010411 31O 2pz -0.006035 -0.130642 -0.031362 0.042816 0.004064 0.025215 31O 2px -0.034051 0.069169 -0.012554 -0.013898 0.022903 0.015237 31O 2py -0.007105 0.160879 0.017082 -0.032362 0.033889 0.027863 31O 3pz -0.038669 -0.246995 -0.015353 -0.064961 -0.000873 -0.044354 31O 3px -0.120048 -0.177403 0.045453 -0.009084 0.013445 -0.007820 31O 3py 0.114701 0.445109 0.010637 0.055085 -0.000823 -0.023119 31O 1dz2 0.005999 0.007891 0.000089 0.003373 0.004339 0.003497 31O 1dxz -0.006183 -0.017532 0.002130 0.001059 0.002416 0.007891 31O 1dyz -0.002071 0.008108 0.006201 -0.007877 -0.004819 -0.002532 31O 1dx2y2 0.005318 0.002943 0.002344 -0.007819 0.005958 0.005357 31O 1dxy 0.012292 0.026444 0.000807 -0.005278 0.001790 0.005595 31O 2dz2 0.006583 0.018481 -0.004953 0.000350 0.006847 0.003541 31O 2dxz 0.012420 0.072093 0.011417 -0.009950 -0.003190 -0.001995 31O 2dyz 0.016972 0.036979 0.013661 -0.013568 -0.002954 -0.003360 31O 2dx2y2 -0.003792 -0.044438 0.011073 -0.004004 -0.004636 -0.006689 31O 2dxy 0.000683 -0.067676 -0.007976 0.010741 -0.012301 -0.007445 31O 1f0 0.030464 0.020189 -0.079452 0.059650 0.091216 0.109621 31O 1f+1 -0.016652 -0.030515 -0.022985 0.028194 -0.054309 -0.090189 31O 1f-1 0.012919 0.021771 -0.057756 0.028808 0.172002 0.241578 31O 1f+2 0.020620 0.028414 0.019836 0.027325 -0.164145 -0.190331 31O 1f-2 -0.044221 -0.030249 -0.095041 0.084232 0.125126 0.165159 31O 1f+3 0.005044 -0.005207 -0.053499 0.019503 0.161554 0.194950 31O 1f-3 0.020265 0.039862 0.025765 -0.058438 0.032442 0.024078 32O 1s 0.001904 0.000031 -0.000211 0.001025 0.000125 0.000018 32O 2s 0.006170 0.000062 -0.000721 0.003094 0.000389 0.000081 32O 3s -0.056894 0.000412 0.008737 -0.024248 -0.003419 -0.001162 32O 4s 0.135213 -0.001930 -0.034411 0.050388 0.008786 0.003132 32O 5s -0.196230 -0.007248 0.071285 -0.140418 -0.019376 0.000054 32O 1pz 0.002773 0.011379 -0.001371 0.002711 -0.000655 0.004847 32O 1px -0.013162 0.003360 0.001718 -0.010124 0.000423 0.003547 32O 1py 0.000811 0.000307 0.000882 0.000936 0.002272 0.000106 32O 2pz -0.002209 -0.061898 0.008568 -0.003355 0.002471 -0.025288 32O 2px 0.029767 -0.019298 -0.003064 0.032004 0.000187 -0.013368 32O 2py 0.000478 -0.000379 -0.002552 -0.008130 -0.006066 0.001271 32O 3pz 0.014716 -0.005217 -0.008685 0.005978 -0.000113 -0.003601 32O 3px -0.069894 -0.005483 0.040950 -0.017441 -0.004975 0.000391 32O 3py -0.009355 0.002981 -0.012685 -0.060611 0.003099 0.001425 32O 1dz2 -0.000434 -0.001624 -0.007676 -0.006553 -0.000543 0.003638 32O 1dxz -0.002775 0.000184 -0.006273 -0.008563 -0.000802 -0.008282 32O 1dyz -0.002551 -0.005927 0.006335 0.003636 0.000843 -0.004615 32O 1dx2y2 0.003745 -0.000545 0.000714 0.008383 0.000478 -0.003941 32O 1dxy 0.004201 -0.001622 -0.011605 -0.007237 -0.002447 -0.005071 32O 2dz2 0.003026 -0.015424 0.001237 0.001888 0.000369 -0.005036 32O 2dxz 0.000531 0.012840 -0.012065 -0.013038 -0.001693 0.003687 32O 2dyz -0.000010 -0.027026 0.003964 0.001283 0.000924 -0.012231 32O 2dx2y2 -0.000657 0.003870 0.024657 0.028772 0.002607 0.002998 32O 2dxy 0.003880 -0.010550 -0.003360 0.003659 -0.000065 -0.006115 32O 1f0 -0.002615 0.001162 0.174817 0.196012 0.020420 0.014860 32O 1f+1 0.000010 0.012159 -0.139478 -0.157215 -0.016359 -0.015475 32O 1f-1 0.004323 0.004254 -0.258007 -0.277563 -0.027871 -0.022546 32O 1f+2 0.013444 -0.007912 -0.273645 -0.283210 -0.027813 -0.023479 32O 1f-2 0.004952 -0.002186 0.059638 0.081778 0.006440 -0.000749 32O 1f+3 0.017038 0.004495 -0.135795 -0.108992 -0.012446 -0.021332 32O 1f-3 0.000642 0.000980 0.416125 0.472571 0.044745 0.034116 33O 1s 0.000780 0.001664 -0.000383 0.000106 -0.000174 0.000554 33O 2s 0.003601 0.006159 -0.001791 0.000499 -0.000284 0.002479 33O 3s -0.003716 -0.127513 0.029249 -0.001152 -0.004815 -0.038612 33O 4s 0.085725 0.382620 -0.090361 0.001464 0.039738 0.151497 33O 5s 0.254130 -0.863758 -0.248565 -0.067217 0.040698 0.024385 33O 1pz -0.004522 -0.026662 -0.001516 0.003151 -0.001172 -0.001057 33O 1px 0.036754 -0.023609 -0.010491 0.000567 0.001808 -0.003221 33O 1py 0.014131 -0.025667 0.002456 -0.003554 -0.003488 0.005518 33O 2pz 0.029905 0.183506 -0.031824 -0.018663 0.018454 0.048822 33O 2px -0.063922 -0.098111 0.074819 0.013419 -0.028112 -0.044205 33O 2py -0.015707 0.079517 -0.012837 0.008463 0.019741 -0.013080 33O 3pz -0.137549 0.427169 -0.037570 -0.006030 -0.002836 0.046957 33O 3px -0.137258 0.091581 0.104150 0.036697 -0.022428 -0.052839 33O 3py -0.114030 0.294659 0.022850 -0.025320 0.011685 0.033909 33O 1dz2 -0.002600 0.003842 0.000188 -0.005551 -0.003292 0.001389 33O 1dxz -0.011631 0.022460 -0.007115 -0.002396 -0.001562 0.000200 33O 1dyz -0.006211 0.017291 -0.005228 0.000793 -0.000109 -0.003208 33O 1dx2y2 0.004902 -0.005287 0.001316 0.003547 -0.006520 0.006190 33O 1dxy -0.007518 0.014874 -0.004396 -0.004489 0.004480 -0.008550 33O 2dz2 -0.004871 -0.006813 0.002787 0.007204 -0.005339 0.010809 33O 2dxz 0.004034 -0.092419 0.013722 0.006890 -0.006159 -0.022486 33O 2dyz -0.011609 0.001720 -0.009467 0.007547 0.006145 0.006176 33O 2dx2y2 -0.006640 0.068847 -0.018418 -0.012631 0.008583 0.007481 33O 2dxy -0.005939 -0.010229 0.000899 -0.003354 -0.011306 0.001651 33O 1f0 -0.018155 0.026508 -0.015341 0.018542 0.004333 -0.047351 33O 1f+1 0.024491 -0.009352 -0.022875 0.033035 0.032576 -0.062875 33O 1f-1 -0.037225 0.035710 -0.041359 0.008218 0.038433 0.022904 33O 1f+2 -0.020644 -0.001798 -0.056464 0.024166 0.107298 -0.138413 33O 1f-2 0.037406 -0.035614 -0.026889 -0.006533 0.037895 0.031878 33O 1f+3 -0.011952 0.004962 0.084700 0.002189 -0.149853 0.140904 33O 1f-3 -0.022967 0.037845 -0.001346 -0.001241 0.040778 -0.084626 34O 1s 0.000478 -0.001889 -0.000332 -0.000086 0.000467 -0.000323 34O 2s 0.001324 -0.008001 -0.001515 -0.000165 0.001547 -0.001604 34O 3s 0.044594 0.174306 0.024262 -0.008034 -0.011841 0.029321 34O 4s -0.148578 -0.602824 -0.074624 0.027658 0.014273 -0.106046 34O 5s 0.132573 0.774493 -0.201568 0.147283 -0.032313 -0.068155 34O 1pz 0.017980 0.025792 -0.009333 -0.003501 0.008281 0.011014 34O 1px -0.021229 0.004166 0.005116 -0.005461 -0.000521 0.002482 34O 1py -0.013600 -0.035392 0.001363 -0.001636 0.002391 0.003866 34O 2pz -0.018786 -0.041814 0.032713 0.006528 -0.031927 -0.036022 34O 2px -0.077230 -0.321450 -0.060483 0.058413 -0.009229 -0.066315 34O 2py 0.025082 0.137012 0.001530 -0.004951 0.000166 0.000870 34O 3pz -0.047182 -0.237032 0.022198 -0.051805 0.002485 0.038093 34O 3px 0.005153 -0.207053 -0.115069 0.026485 0.003354 -0.063860 34O 3py 0.108897 0.413977 0.006802 0.020539 -0.004132 0.052529 34O 1dz2 -0.006583 -0.004474 -0.003251 0.001373 -0.006921 -0.012497 34O 1dxz 0.005290 0.004953 0.003306 0.004932 -0.003906 0.003692 34O 1dyz 0.005519 0.019600 0.005094 -0.006036 0.005476 0.006333 34O 1dx2y2 0.014498 0.026939 0.006284 -0.004909 0.001402 -0.001763 34O 1dxy -0.009125 -0.011176 -0.002018 0.001019 -0.000104 0.005265 34O 2dz2 0.027252 0.075781 0.006740 -0.010547 0.005360 0.017229 34O 2dxz 0.007778 0.026906 0.015407 -0.007441 -0.012001 -0.009793 34O 2dyz 0.011164 -0.008044 0.006301 0.000331 -0.002135 0.002747 34O 2dx2y2 -0.035723 -0.134015 -0.013926 0.021392 -0.003450 -0.021766 34O 2dxy 0.012584 0.026489 0.000457 -0.000383 -0.001696 0.008331 34O 1f0 -0.014100 -0.022208 -0.001425 -0.010402 0.025935 0.086170 34O 1f+1 0.027914 0.013392 0.043955 0.003591 -0.128402 -0.128325 34O 1f-1 -0.023571 -0.022743 0.113233 0.054245 -0.325099 -0.308068 34O 1f+2 -0.005447 -0.009364 -0.013869 0.018786 0.026265 0.083750 34O 1f-2 0.033926 0.047891 0.003817 0.013826 -0.018365 -0.027398 34O 1f+3 -0.002864 -0.024897 -0.040047 -0.002444 0.084489 0.068968 34O 1f-3 -0.028459 -0.017019 -0.018012 -0.009312 0.041613 0.031955 35O 1s 0.000251 0.002105 -0.000441 0.000207 -0.000021 -0.000640 35O 2s 0.000081 0.008811 -0.001798 0.000136 -0.000162 -0.002805 35O 3s 0.070185 -0.180146 0.027763 0.017315 0.001472 0.042689 35O 4s -0.247354 0.619353 -0.076389 -0.066753 -0.002913 -0.161858 35O 5s 0.119015 -0.789699 -0.172523 -0.265328 0.015017 0.007841 35O 1pz 0.019504 -0.035997 0.007444 0.008295 -0.004098 0.002304 35O 1px -0.019837 0.000298 0.002426 0.005257 -0.002685 -0.000594 35O 1py 0.010215 -0.020157 -0.003644 -0.002515 0.008241 -0.008839 35O 2pz -0.028953 0.103136 -0.032748 -0.035528 0.015191 -0.013852 35O 2px -0.126771 0.287689 -0.047930 -0.088303 0.009186 -0.063354 35O 2py -0.081508 0.171963 -0.013417 -0.028617 -0.023050 -0.000618 35O 3pz -0.109159 0.407804 0.004941 0.076419 0.001746 -0.008427 35O 3px -0.009551 0.136444 -0.087356 -0.001413 0.004491 -0.042747 35O 3py -0.066734 0.289499 -0.035999 0.006682 0.015728 -0.056290 35O 1dz2 -0.016383 0.020942 0.000005 -0.006279 0.006787 -0.004846 35O 1dxz 0.009747 -0.014528 -0.004514 -0.006952 0.005073 -0.005537 35O 1dyz 0.000458 0.015267 -0.005976 -0.007811 0.000267 0.004689 35O 1dx2y2 0.005042 -0.010154 -0.003158 0.000051 0.005345 -0.002294 35O 1dxy 0.013309 -0.016037 -0.001883 -0.000017 -0.003676 -0.002555 35O 2dz2 0.027643 -0.083310 0.013929 0.013878 -0.005402 0.010805 35O 2dxz 0.002865 -0.004354 -0.018005 -0.017687 0.002703 -0.011438 35O 2dyz -0.009084 -0.006138 -0.010805 -0.012663 0.002135 -0.010717 35O 2dx2y2 -0.046348 0.102095 -0.012132 -0.016949 0.004241 -0.013885 35O 2dxy -0.046673 0.087693 -0.017036 -0.025569 -0.006804 -0.014297 35O 1f0 0.012250 -0.015714 0.125644 0.089783 -0.325161 0.235259 35O 1f+1 -0.014487 0.032642 -0.061780 -0.050022 0.076054 -0.016426 35O 1f-1 0.017180 -0.014726 0.052375 0.087723 -0.012496 -0.097871 35O 1f+2 0.004897 -0.020635 0.067094 0.057510 -0.154880 0.100193 35O 1f-2 -0.044048 0.041264 0.080825 0.035222 -0.204957 0.153570 35O 1f+3 0.008827 -0.004899 0.024616 0.037851 -0.029949 -0.017626 35O 1f-3 0.032646 -0.010513 0.019130 -0.006342 -0.045662 0.050141 618 619 620 621 622 623 5.15305 5.16771 5.16967 5.17008 5.17581 5.17830 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s -0.000031 0.000049 -0.000025 0.000167 0.000095 0.000030 0Rh 2s 0.000665 -0.000436 0.000202 -0.000810 -0.000594 -0.000261 0Rh 3s 0.000211 0.000036 -0.000028 0.000524 0.000218 0.000027 0Rh 4s -0.003815 0.002576 -0.001181 0.005105 0.003646 0.001569 0Rh 5s 0.010721 -0.006571 0.002757 -0.012189 -0.009117 -0.004214 0Rh 6s -0.016625 0.007599 -0.002128 0.008620 0.008834 0.005637 0Rh 7s 0.027705 -0.007334 -0.000313 0.015623 -0.012580 -0.021469 0Rh 8s -0.039637 -0.067253 0.009468 -0.031381 0.037921 0.001257 0Rh 1pz -0.000863 -0.000594 -0.013341 -0.030027 -0.017967 0.023099 0Rh 1px 0.013463 0.003882 -0.007535 -0.002639 -0.009014 0.005941 0Rh 1py -0.026973 -0.020235 0.009282 -0.014134 0.022294 -0.003019 0Rh 2pz 0.003536 0.002424 0.054485 0.123060 0.073534 -0.094210 0Rh 2px -0.055131 -0.015960 0.030802 0.010845 0.036926 -0.024196 0Rh 2py 0.110408 0.082912 -0.038030 0.057862 -0.091356 0.012224 0Rh 3pz -0.010667 -0.007154 -0.160953 -0.371736 -0.220124 0.275882 0Rh 3px 0.165654 0.049232 -0.091492 -0.033565 -0.111288 0.070316 0Rh 3py -0.330987 -0.250214 0.114648 -0.173680 0.275722 -0.034118 0Rh 4pz 0.012675 0.008049 0.178450 0.436317 0.252072 -0.298647 0Rh 4px -0.191670 -0.060741 0.102577 0.042765 0.129889 -0.074886 0Rh 4py 0.381388 0.293168 -0.133682 0.200796 -0.322538 0.031851 0Rh 5pz -0.007951 -0.002900 -0.069414 -0.214088 -0.110900 0.102856 0Rh 5px 0.091114 0.033725 -0.042030 -0.029538 -0.061788 0.024009 0Rh 5py -0.178026 -0.143298 0.064634 -0.092998 0.154760 -0.000235 0Rh 6pz 0.025460 -0.010273 0.059543 0.277796 0.097302 -0.086319 0Rh 6px -0.107324 -0.004313 0.050434 0.068650 0.056653 -0.018049 0Rh 6py 0.279614 0.173956 -0.090492 0.085142 -0.157172 -0.041796 0Rh 1dz2 -0.001822 -0.001547 0.001429 -0.004433 -0.001000 -0.002476 0Rh 1dxz 0.000363 -0.000593 -0.000582 0.011334 0.003225 0.005596 0Rh 1dyz -0.003956 -0.002823 0.000481 0.000267 0.005614 0.001714 0Rh 1dx2y2 -0.002786 -0.002674 -0.000392 -0.000577 0.003271 0.002857 0Rh 1dxy 0.009294 0.008785 -0.003297 0.004064 -0.006947 -0.003621 0Rh 2dz2 -0.000078 -0.001408 -0.000408 0.000537 -0.001471 0.001454 0Rh 2dxz -0.000368 -0.000693 0.000704 -0.000881 -0.000507 -0.001579 0Rh 2dyz 0.000483 0.000850 0.000061 -0.000314 -0.000589 -0.000342 0Rh 2dx2y2 0.000312 -0.000616 0.000359 0.000791 -0.000937 -0.000586 0Rh 2dxy 0.000292 -0.000695 0.000021 0.000059 0.000129 0.000721 0Rh 3dz2 0.008712 0.013632 -0.004705 0.017906 0.011373 0.004762 0Rh 3dxz 0.000010 0.005975 -0.000535 -0.048110 -0.012534 -0.018646 0Rh 3dyz 0.015988 0.009140 -0.002477 0.000242 -0.023083 -0.006428 0Rh 3dx2y2 0.011442 0.015067 0.000136 -0.000947 -0.010752 -0.010541 0Rh 3dxy -0.044286 -0.037311 0.015176 -0.018967 0.031501 0.013465 0Rh 4dz2 -0.016229 -0.032114 0.006717 -0.030129 -0.027509 -0.002407 0Rh 4dxz -0.001393 -0.014820 0.004063 0.084382 0.021013 0.027992 0Rh 4dyz -0.027650 -0.013506 0.004837 -0.001960 0.039449 0.011290 0Rh 4dx2y2 -0.020584 -0.029358 0.001731 0.004883 0.015385 0.017362 0Rh 4dxy 0.085586 0.065943 -0.028888 0.035040 -0.057905 -0.022308 0Rh 5dz2 0.019128 0.061567 -0.001444 0.019435 0.046066 -0.014830 0Rh 5dxz 0.005641 0.031057 -0.012270 -0.078952 -0.019493 -0.017003 0Rh 5dyz 0.027382 0.006021 -0.006862 0.003585 -0.042394 -0.015993 0Rh 5dx2y2 0.023988 0.028226 -0.010036 -0.010648 -0.003809 -0.015764 0Rh 5dxy -0.123852 -0.066038 0.038771 -0.039466 0.060957 0.020663 0Rh 1f0 -0.003598 0.000516 0.000230 0.006599 0.006423 0.007389 0Rh 1f+1 -0.000486 -0.003934 0.000573 0.012575 0.004081 -0.000268 0Rh 1f-1 -0.002474 -0.002376 0.004226 -0.001801 0.000772 -0.005743 0Rh 1f+2 -0.000679 -0.005226 -0.003462 -0.005743 -0.000535 0.011053 0Rh 1f-2 -0.001864 0.003363 0.000853 -0.001994 -0.003069 0.002789 0Rh 1f+3 0.002284 -0.002657 0.000553 -0.002336 0.008047 -0.007220 0Rh 1f-3 0.000284 0.008771 -0.000518 0.006496 -0.006636 0.001061 1Rh 1s -0.000022 -0.000048 -0.000031 -0.000165 -0.000091 0.000025 1Rh 2s 0.000610 0.000435 0.000242 0.000796 0.000565 -0.000230 1Rh 3s 0.000232 -0.000033 -0.000043 -0.000520 -0.000216 0.000014 1Rh 4s -0.003477 -0.002573 -0.001423 -0.005024 -0.003473 0.001377 1Rh 5s 0.009896 0.006564 0.003354 0.011997 0.008669 -0.003742 1Rh 6s -0.015911 -0.007604 -0.002669 -0.008475 -0.008304 0.005214 1Rh 7s 0.027494 0.007013 -0.000193 -0.015422 0.011942 -0.021161 1Rh 8s -0.042055 0.067519 0.011665 0.029814 -0.038062 0.000212 1Rh 1pz 0.000903 -0.000487 0.012927 -0.030263 -0.017491 -0.023320 1Rh 1px -0.013793 0.003916 0.007662 -0.002916 -0.008812 -0.005995 1Rh 1py 0.027773 -0.020287 -0.009862 -0.013748 0.021903 0.003401 1Rh 2pz -0.003697 0.001983 -0.052786 0.124022 0.071587 0.095113 1Rh 2px 0.056485 -0.016100 -0.031323 0.011978 0.036102 0.024420 1Rh 2py -0.113683 0.083124 0.040409 0.056283 -0.089759 -0.013791 1Rh 3pz 0.011083 -0.005785 0.155791 -0.374561 -0.214367 -0.278560 1Rh 3px -0.169757 0.049658 0.093048 -0.036948 -0.108860 -0.071001 1Rh 3py 0.340836 -0.250857 -0.121844 -0.168949 0.271008 0.038841 1Rh 4pz -0.012930 0.006338 -0.172297 0.439401 0.245677 0.301632 1Rh 4px 0.196490 -0.061249 -0.104316 0.046609 0.127214 0.075729 1Rh 4py -0.392847 0.293931 0.142172 0.195356 -0.317331 -0.037356 1Rh 5pz 0.007580 -0.001861 0.066232 -0.215180 -0.108387 -0.103994 1Rh 5px -0.093295 0.033969 0.042596 -0.031218 -0.060777 -0.024502 1Rh 5py 0.183486 -0.143699 -0.068890 -0.090477 0.152813 0.002821 1Rh 6pz -0.024174 -0.010774 -0.054850 0.278171 0.094324 0.086624 1Rh 6px 0.105620 -0.004375 -0.048258 0.070579 0.055912 0.018194 1Rh 6py -0.284437 0.174407 0.095335 0.081625 -0.155943 0.039753 1Rh 1dz2 -0.001822 0.001530 0.001532 0.004388 0.001028 -0.002516 1Rh 1dxz 0.000321 0.000714 -0.000784 -0.011286 -0.003276 0.005555 1Rh 1dyz -0.004359 0.002943 0.000621 -0.000275 -0.005744 0.001629 1Rh 1dx2y2 -0.003105 0.002736 -0.000277 0.000595 -0.003345 0.002856 1Rh 1dxy 0.009645 -0.008801 -0.003524 -0.003918 0.006991 -0.003492 1Rh 2dz2 -0.000073 0.001412 -0.000437 -0.000529 0.001454 0.001479 1Rh 2dxz -0.000369 0.000677 0.000719 0.000861 0.000534 -0.001574 1Rh 2dyz 0.000537 -0.000865 0.000049 0.000311 0.000599 -0.000323 1Rh 2dx2y2 0.000373 0.000613 0.000321 -0.000799 0.000958 -0.000586 1Rh 2dxy 0.000285 0.000695 0.000027 -0.000054 -0.000154 0.000718 1Rh 3dz2 0.008689 -0.013571 -0.005050 -0.017737 -0.011420 0.004829 1Rh 3dxz 0.000208 -0.006462 0.000322 0.047981 0.012643 -0.018478 1Rh 3dyz 0.017601 -0.009630 -0.003066 -0.000194 0.023637 -0.006130 1Rh 3dx2y2 0.012627 -0.015341 -0.000218 0.000901 0.010999 -0.010541 1Rh 3dxy -0.045871 0.037385 0.016196 0.018268 -0.031586 0.012884 1Rh 4dz2 -0.016205 0.032019 0.007227 0.029863 0.027505 -0.002414 1Rh 4dxz -0.001778 0.015669 0.002569 -0.084220 -0.021085 0.027695 1Rh 4dyz -0.030456 0.014387 0.005888 0.001875 -0.040490 0.010848 1Rh 4dx2y2 -0.022486 0.029875 0.002218 -0.004848 -0.015772 0.017373 1Rh 4dxy 0.088461 -0.066080 -0.030738 -0.033682 0.057934 -0.021235 1Rh 5dz2 0.019539 -0.061503 -0.001678 -0.019301 -0.045784 -0.015125 1Rh 5dxz 0.006193 -0.031955 -0.010920 0.078898 0.019207 -0.016586 1Rh 5dyz 0.030861 -0.007186 -0.008096 -0.003542 0.043865 -0.015746 1Rh 5dx2y2 0.025333 -0.028971 -0.010159 0.010815 0.004183 -0.015856 1Rh 5dxy -0.126757 0.066173 0.040652 0.037549 -0.060549 0.019464 1Rh 1f0 0.003757 0.000463 -0.000182 0.006601 0.006555 -0.007328 1Rh 1f+1 0.000607 -0.003950 -0.000384 0.012592 0.004077 0.000291 1Rh 1f-1 0.002398 -0.002291 -0.004302 -0.001716 0.000745 0.005788 1Rh 1f+2 0.000933 -0.005328 0.003295 -0.005852 -0.000378 -0.011056 1Rh 1f-2 0.001749 0.003330 -0.000856 -0.001966 -0.002959 -0.002842 1Rh 1f+3 -0.002061 -0.002589 -0.000736 -0.002329 0.007925 0.007327 1Rh 1f-3 -0.000580 0.008770 0.000773 0.006481 -0.006600 -0.001166 2C 1s 0.000112 0.000371 -0.000199 0.001497 0.000386 -0.000402 2C 2s -0.000274 0.000757 -0.000021 0.003031 0.000810 -0.000365 2C 3s 0.032848 -0.016226 -0.025343 -0.036476 -0.023857 -0.022113 2C 4s -0.145192 -0.014526 0.112078 -0.072872 0.089887 0.120750 2C 5s -0.034723 0.082153 -0.004307 -0.077589 -0.037530 -0.048546 2C 1pz 0.000073 -0.011809 -0.001102 -0.012446 -0.006626 -0.005723 2C 1px -0.001822 -0.003476 -0.008974 -0.002527 0.003258 0.013362 2C 1py 0.011005 0.004126 -0.004467 -0.012045 -0.001271 -0.001737 2C 2pz 0.020140 -0.004284 -0.039710 -0.137037 0.149259 0.039335 2C 2px 0.008508 0.018166 0.079639 0.016406 -0.016419 -0.128843 2C 2py -0.174295 -0.118088 0.132623 -0.076613 -0.086041 0.055730 2C 3pz -0.037700 0.011524 0.001091 0.009958 -0.000882 0.009546 2C 3px -0.009750 -0.004786 0.019225 -0.024412 0.006263 -0.049621 2C 3py 0.022536 0.038747 0.004707 -0.009677 0.001896 -0.005412 2C 1dz2 -0.002698 0.000497 0.027141 -0.016115 -0.021539 -0.004940 2C 1dxz -0.002365 0.001605 0.002076 -0.008416 -0.006567 0.022734 2C 1dyz -0.002068 -0.010392 -0.007416 -0.011570 0.012813 -0.008322 2C 1dx2y2 0.001382 0.006642 0.015838 -0.000960 -0.016830 0.003458 2C 1dxy 0.001945 -0.001456 -0.015573 -0.001066 0.010208 0.012289 2C 2dz2 -0.017409 0.020221 0.015013 -0.033541 -0.004302 0.053129 2C 2dxz -0.020927 -0.019619 0.080506 -0.069165 -0.081026 -0.028350 2C 2dyz -0.040325 -0.030346 0.022073 0.000498 0.020534 0.003480 2C 2dx2y2 -0.033027 0.017439 0.070523 0.023704 -0.079902 -0.019092 2C 2dxy 0.083982 0.022385 -0.053786 -0.012696 0.102692 -0.090637 2C 1f0 -0.015728 0.028947 0.055240 -0.004922 -0.055368 0.024271 2C 1f+1 0.019741 0.013602 0.006276 0.007323 -0.004888 -0.004396 2C 1f-1 0.000579 0.000980 0.002870 0.001833 0.002886 0.007862 2C 1f+2 0.019772 0.005617 0.019399 -0.033860 -0.033477 -0.003058 2C 1f-2 -0.007570 0.011973 0.021977 -0.000615 -0.011027 0.000354 2C 1f+3 -0.010533 -0.005181 0.011035 -0.016576 -0.006767 -0.010209 2C 1f-3 -0.003910 -0.003112 -0.015186 0.019795 0.021517 -0.003931 3C 1s -0.000767 -0.001098 -0.000240 -0.000512 0.001297 -0.000712 3C 2s -0.000930 -0.001825 -0.000243 -0.000670 0.002782 -0.000724 3C 3s -0.012830 -0.010625 -0.018562 -0.010777 -0.059701 -0.032827 3C 4s 0.102757 0.193653 0.095096 0.045207 0.058984 0.205116 3C 5s -0.003622 0.017245 0.040616 0.031847 0.019956 0.061410 3C 1pz 0.001489 0.000017 0.002787 0.005908 -0.009293 -0.006510 3C 1px 0.009173 -0.003105 -0.008614 0.004248 -0.011882 0.017672 3C 1py 0.001485 -0.006828 0.003723 0.008985 0.016429 0.008574 3C 2pz 0.006091 0.167925 0.028502 -0.040891 -0.068615 0.113483 3C 2px -0.124776 0.146527 0.116000 -0.056658 0.063850 -0.159918 3C 2py -0.065313 -0.047059 0.003983 0.002978 0.047901 -0.128966 3C 3pz 0.011832 -0.005916 0.012091 0.031034 0.014387 0.036288 3C 3px 0.033465 -0.018847 0.016724 0.000545 0.004322 -0.058341 3C 3py 0.010578 -0.015269 -0.004112 0.008062 -0.028290 -0.031630 3C 1dz2 -0.006421 -0.010063 -0.010222 -0.014820 0.006346 -0.015627 3C 1dxz 0.006275 -0.004962 -0.017175 -0.007734 -0.005280 0.014886 3C 1dyz 0.004582 -0.000887 0.008519 0.019878 0.003795 0.016446 3C 1dx2y2 0.000558 -0.020106 -0.021431 -0.007962 0.005336 0.007140 3C 1dxy -0.007648 -0.006267 0.004295 -0.004261 0.012448 -0.028392 3C 2dz2 -0.010239 0.028529 -0.011451 -0.025503 0.005065 0.015068 3C 2dxz 0.049749 -0.065424 -0.038467 -0.020189 -0.037520 0.017725 3C 2dyz 0.009080 0.007456 0.033945 0.052988 -0.038689 -0.022000 3C 2dx2y2 -0.013555 -0.083195 -0.032028 -0.048879 0.040795 -0.103841 3C 2dxy 0.034406 -0.079076 -0.071333 0.008441 0.002839 0.075784 3C 1f0 0.007680 -0.019621 -0.017271 -0.009989 0.015233 -0.005867 3C 1f+1 -0.011367 -0.015491 -0.015320 -0.018934 0.016237 -0.007235 3C 1f-1 0.008481 0.029188 0.052186 0.062242 -0.006194 0.018810 3C 1f+2 -0.016506 -0.004840 -0.002254 -0.010223 -0.018652 -0.019755 3C 1f-2 0.001812 0.012494 0.006670 0.010072 -0.020709 0.004010 3C 1f+3 0.012230 -0.008777 0.003827 0.005609 0.012190 -0.000316 3C 1f-3 0.000710 -0.011241 -0.015020 -0.020536 -0.015183 -0.014209 4C 1s 0.000083 0.000782 0.000274 0.001863 0.000183 -0.000325 4C 2s 0.000725 0.001909 0.000245 0.004452 0.000031 -0.000592 4C 3s -0.056750 -0.016356 0.032886 -0.050420 0.050776 -0.000714 4C 4s 0.271308 0.009508 -0.167565 0.049525 -0.253602 0.014323 4C 5s 0.052126 0.013461 -0.032142 0.174976 -0.015376 0.004635 4C 1pz 0.007338 0.016672 0.004970 0.010799 -0.007506 -0.000364 4C 1px 0.000001 0.003994 0.006930 0.004231 -0.004130 -0.003729 4C 1py -0.009337 -0.008738 -0.011926 0.017452 0.012610 -0.004018 4C 2pz -0.073669 -0.095093 -0.010035 -0.112876 0.060859 0.129290 4C 2px 0.104525 -0.011391 0.038892 -0.064369 -0.073390 -0.185312 4C 2py 0.027214 0.000120 0.055769 -0.124921 -0.047663 0.012308 4C 3pz -0.046608 0.069118 0.015390 0.036368 -0.008335 -0.049974 4C 3px 0.014724 0.029104 -0.037569 0.036830 -0.002464 0.055357 4C 3py -0.032796 0.058736 -0.006798 0.032016 -0.018468 -0.018281 4C 1dz2 0.007949 0.001322 0.024703 -0.022338 -0.022827 0.004356 4C 1dxz -0.000552 0.007673 0.008170 -0.015979 -0.006009 0.008828 4C 1dyz -0.004006 -0.011350 -0.016941 -0.021507 0.014786 -0.001674 4C 1dx2y2 0.003959 0.018003 0.019613 0.004374 -0.021358 0.009281 4C 1dxy 0.011264 -0.013977 -0.009069 -0.001381 -0.006173 -0.000102 4C 2dz2 -0.011558 0.070628 -0.024912 0.087067 -0.004634 0.088232 4C 2dxz 0.066707 0.041773 0.079852 0.012903 -0.042574 -0.209111 4C 2dyz 0.021611 0.021611 -0.038242 0.126441 0.000169 -0.015112 4C 2dx2y2 0.041739 0.000242 -0.001565 -0.086193 -0.031041 0.001450 4C 2dxy 0.045559 0.008071 0.055770 -0.016459 -0.087312 -0.109775 4C 1f0 -0.015200 -0.011611 -0.031826 0.019999 0.045403 -0.009819 4C 1f+1 -0.013290 -0.006566 0.003465 0.025336 0.003818 0.000601 4C 1f-1 -0.011119 -0.017818 -0.004986 -0.013339 0.006603 0.010850 4C 1f+2 -0.022495 -0.035609 -0.042547 0.010211 0.020807 0.014263 4C 1f-2 -0.007026 -0.008386 -0.006735 -0.007058 0.020050 -0.025721 4C 1f+3 -0.018555 0.021242 0.016450 -0.014195 -0.005847 0.019856 4C 1f-3 -0.020159 0.010594 -0.004293 0.019844 0.023325 0.017123 5C 1s -0.000176 -0.000758 0.000053 -0.000047 0.002002 -0.000531 5C 2s -0.000266 -0.002148 -0.000001 0.000282 0.004227 -0.001310 5C 3s -0.024525 0.062242 0.012839 -0.041544 0.010386 0.025747 5C 4s 0.149216 -0.202225 -0.067405 0.183528 -0.218141 -0.094722 5C 5s 0.082092 -0.087947 -0.030926 0.049707 0.060041 -0.017586 5C 1pz -0.008820 -0.012539 -0.016323 -0.021108 0.008701 -0.007499 5C 1px -0.002436 -0.001676 0.001124 -0.004833 0.006863 -0.010817 5C 1py 0.000110 0.010656 -0.006136 -0.014097 -0.012399 -0.000529 5C 2pz 0.118322 0.085485 0.012899 0.067464 -0.094128 0.146643 5C 2px -0.152499 0.070109 0.176481 0.071227 0.018978 -0.143762 5C 2py -0.098064 -0.119989 0.009018 0.021547 0.110348 -0.134794 5C 3pz 0.046164 -0.015404 0.018908 0.026130 0.057481 0.007918 5C 3px -0.021322 0.018754 -0.006325 0.024133 0.013967 0.123729 5C 3py -0.083776 0.034061 -0.024827 -0.022161 -0.087639 -0.038152 5C 1dz2 -0.013189 -0.013742 -0.021968 -0.026605 0.002088 -0.014552 5C 1dxz -0.000473 0.008061 -0.015014 -0.017265 0.002818 0.001279 5C 1dyz 0.007374 -0.002863 0.015152 0.018719 0.020280 0.010793 5C 1dx2y2 0.002496 -0.024259 -0.019012 -0.006719 0.012806 -0.000849 5C 1dxy 0.003317 -0.001986 -0.002295 -0.005733 0.019493 -0.005122 5C 2dz2 0.012097 -0.013476 -0.068000 -0.075797 0.017360 0.063756 5C 2dxz -0.091538 -0.011197 0.051408 -0.042245 0.083319 -0.161680 5C 2dyz -0.045689 0.091654 0.075710 -0.000634 -0.032668 -0.058789 5C 2dx2y2 -0.026329 0.077577 0.061159 -0.027500 -0.073235 -0.084194 5C 2dxy 0.111521 0.051622 -0.088532 0.002108 -0.093653 0.227877 5C 1f0 -0.027775 -0.004900 0.009454 -0.006764 0.032431 -0.021675 5C 1f+1 0.012891 -0.019615 -0.013630 -0.000029 0.009555 0.020649 5C 1f-1 -0.024770 -0.027852 -0.045432 -0.060370 0.005569 -0.033848 5C 1f+2 0.016456 -0.010497 0.002982 0.020601 0.002327 0.003056 5C 1f-2 0.023255 -0.004891 -0.038564 -0.020047 -0.012482 0.015635 5C 1f+3 0.017836 0.012249 -0.020669 -0.027727 0.028140 0.001260 5C 1f-3 0.011830 0.003816 0.004919 0.009988 -0.024473 -0.006046 6C 1s -0.000256 0.000748 0.000086 0.000039 -0.001991 -0.000568 6C 2s -0.000472 0.002131 0.000073 -0.000294 -0.004198 -0.001384 6C 3s -0.020705 -0.062227 0.012217 0.041430 -0.011649 0.025072 6C 4s 0.138399 0.202838 -0.067074 -0.182147 0.223385 -0.088915 6C 5s 0.082142 0.087692 -0.030028 -0.048629 -0.059205 -0.017280 6C 1pz 0.009551 -0.012442 0.015591 -0.021407 0.008804 0.007737 6C 1px 0.003223 -0.001678 -0.001388 -0.004729 0.006686 0.010891 6C 1py -0.000574 0.010585 0.006130 -0.014268 -0.012153 0.000328 6C 2pz -0.128229 0.084296 -0.007728 0.066184 -0.090817 -0.148806 6C 2px 0.150816 0.069701 -0.174875 0.076170 0.013778 0.143855 6C 2py 0.111109 -0.118411 -0.013501 0.023595 0.106087 0.137026 6C 3pz -0.044398 -0.015115 -0.018515 0.025185 0.056998 -0.007131 6C 3px 0.021079 0.018536 0.007327 0.022854 0.015906 -0.123570 6C 3py 0.081499 0.033266 0.025135 -0.020396 -0.087419 0.036955 6C 1dz2 -0.013701 0.013809 -0.021340 0.026967 -0.002166 -0.014680 6C 1dxz 0.000847 -0.007988 -0.014715 0.017645 -0.002989 0.001114 6C 1dyz 0.006744 0.002673 0.014969 -0.018956 -0.020307 0.010488 6C 1dx2y2 0.002386 0.024433 -0.018528 0.007167 -0.013055 -0.001095 6C 1dxy 0.003441 0.002139 -0.001953 0.005783 -0.019463 -0.005311 6C 2dz2 0.014572 0.013467 -0.066788 0.077696 -0.020046 0.062590 6C 2dxz -0.100445 0.010239 0.054487 0.039756 -0.079791 -0.162930 6C 2dyz -0.040815 -0.091233 0.073965 -0.001390 0.034252 -0.058344 6C 2dx2y2 -0.023303 -0.077197 0.059957 0.026130 0.075442 -0.082326 6C 2dxy 0.116109 -0.051328 -0.091260 0.001528 0.087400 0.229395 6C 1f0 0.028556 -0.004960 -0.010142 -0.006294 0.031815 0.022163 6C 1f+1 -0.012469 -0.019592 0.013613 -0.000461 0.010156 -0.020380 6C 1f-1 0.025616 -0.027931 0.043855 -0.061153 0.005678 0.034200 6C 1f+2 -0.015753 -0.010260 -0.002700 0.020575 0.002187 -0.003117 6C 1f-2 -0.023431 -0.004885 0.038137 -0.021125 -0.011682 -0.015823 6C 1f+3 -0.018069 0.012394 0.020005 -0.028344 0.028755 -0.000779 6C 1f-3 -0.012198 0.003816 -0.004624 0.010093 -0.024955 0.005506 7C 1s 0.000122 -0.000777 0.000234 -0.001870 -0.000192 -0.000334 7C 2s 0.000814 -0.001907 0.000151 -0.004443 -0.000041 -0.000593 7C 3s -0.056509 0.016932 0.033762 0.047946 -0.051407 -0.002939 7C 4s 0.266637 -0.012126 -0.167454 -0.037471 0.256817 0.025092 7C 5s 0.051010 -0.015415 -0.035439 -0.171296 0.017729 0.006199 7C 1pz -0.008179 0.016687 -0.004742 0.010746 -0.007639 0.000223 7C 1px -0.000272 0.004106 -0.006625 0.004337 -0.003965 0.003675 7C 1py 0.009910 -0.008843 0.011982 0.017235 0.012636 0.004104 7C 2pz 0.080034 -0.095394 0.011186 -0.110190 0.064942 -0.126570 7C 2px -0.107152 -0.011797 -0.040263 -0.064122 -0.077714 0.184303 7C 2py -0.027049 0.000186 -0.055279 -0.122645 -0.046825 -0.012093 7C 3pz 0.046926 0.067141 -0.012344 0.039240 -0.005872 0.049947 7C 3px -0.015637 0.029088 0.038877 0.036130 -0.001659 -0.054947 7C 3py 0.032473 0.057574 0.009278 0.033378 -0.016535 0.018515 7C 1dz2 0.008311 -0.001557 0.025035 0.021656 0.023040 0.004694 7C 1dxz -0.000910 -0.007574 0.008629 0.015706 0.006254 0.008956 7C 1dyz -0.004759 0.011319 -0.015936 0.022089 -0.014640 -0.001748 7C 1dx2y2 0.003476 -0.018107 0.019227 -0.004832 0.021605 0.009843 7C 1dxy 0.012203 0.013820 -0.008876 0.001712 0.006476 -0.000086 7C 2dz2 -0.009819 -0.070807 -0.026324 -0.085757 0.003578 0.088062 7C 2dxz 0.072023 -0.042255 0.079977 -0.013685 0.045526 -0.208009 7C 2dyz 0.023438 -0.021952 -0.039796 -0.124333 0.000570 -0.013916 7C 2dx2y2 0.043096 -0.000717 -0.001274 0.086510 0.030653 0.002192 7C 2dxy 0.042996 -0.008413 0.055742 0.016306 0.089432 -0.107342 7C 1f0 0.016204 -0.011992 0.031602 0.019420 0.045500 0.010471 7C 1f+1 0.012597 -0.006660 -0.002888 0.025755 0.003996 -0.000413 7C 1f-1 0.011654 -0.018124 0.005082 -0.013010 0.007265 -0.010441 7C 1f+2 0.023952 -0.035531 0.042171 0.009211 0.021214 -0.014166 7C 1f-2 0.007856 -0.008564 0.006333 -0.007058 0.019962 0.026069 7C 1f+3 0.019024 0.021316 -0.016421 -0.013541 -0.005661 -0.019912 7C 1f-3 0.019960 0.010653 0.004599 0.020018 0.023926 -0.016562 8C 1s -0.000821 0.001089 -0.000191 0.000497 -0.001281 -0.000739 8C 2s -0.000998 0.001812 -0.000174 0.000650 -0.002769 -0.000778 8C 3s -0.015085 0.010410 -0.017624 0.010580 0.060651 -0.031893 8C 4s 0.121450 -0.191763 0.086648 -0.043549 -0.064717 0.204651 8C 5s -0.007606 -0.017711 0.039762 -0.030468 -0.019345 0.060689 8C 1pz -0.001806 -0.000112 -0.002620 0.006045 -0.009610 0.006326 8C 1px -0.009808 -0.003104 0.008817 0.003943 -0.011499 -0.017807 8C 1py -0.002025 -0.006925 -0.003524 0.008971 0.016500 -0.008276 8C 2pz -0.005671 0.170416 -0.027283 -0.041110 -0.063766 -0.114553 8C 2px 0.132384 0.145760 -0.116847 -0.052477 0.061110 0.159645 8C 2py 0.085164 -0.044533 -0.008578 0.004452 0.045401 0.129074 8C 3pz -0.012898 -0.006237 -0.011347 0.030766 0.014442 -0.036040 8C 3px -0.033950 -0.018155 -0.016774 0.000551 0.003032 0.058588 8C 3py -0.011778 -0.015334 0.004038 0.008559 -0.028902 0.031165 8C 1dz2 -0.006407 0.010212 -0.009870 0.014948 -0.006108 -0.015693 8C 1dxz 0.007122 0.005207 -0.017266 0.008321 0.004734 0.014748 8C 1dyz 0.003990 0.000735 0.008174 -0.019955 -0.003943 0.016456 8C 1dx2y2 0.000952 0.020246 -0.021097 0.008524 -0.005593 0.006899 8C 1dxy -0.008539 0.006306 0.004596 0.004062 -0.011798 -0.028585 8C 2dz2 -0.014077 -0.028828 -0.010887 0.025555 -0.005632 0.016088 8C 2dxz 0.059111 0.066931 -0.039688 0.022348 0.037046 0.017062 8C 2dyz 0.005541 -0.008036 0.033049 -0.053731 0.039879 -0.020671 8C 2dx2y2 -0.013856 0.082949 -0.029244 0.049062 -0.038278 -0.105243 8C 2dxy 0.036547 0.080328 -0.071373 -0.006038 -0.004954 0.074580 8C 1f0 -0.008416 -0.019825 0.016861 -0.010461 0.015276 0.006199 8C 1f+1 0.012184 -0.015451 0.014678 -0.019257 0.016000 0.007587 8C 1f-1 -0.007443 0.029722 -0.050736 0.063284 -0.006552 -0.019256 8C 1f+2 0.017072 -0.004547 0.001613 -0.009731 -0.019111 0.019460 8C 1f-2 -0.001712 0.012482 -0.006359 0.010095 -0.020989 -0.004155 8C 1f+3 -0.013922 -0.008905 -0.003586 0.005341 0.012072 0.000737 8C 1f-3 -0.001712 -0.011411 0.014877 -0.021111 -0.015394 0.014237 9C 1s 0.000144 -0.000382 -0.000208 -0.001482 -0.000367 -0.000411 9C 2s -0.000227 -0.000771 -0.000071 -0.003028 -0.000795 -0.000393 9C 3s 0.032648 0.015549 -0.022743 0.038494 0.025626 -0.020663 9C 4s -0.148177 0.017413 0.105190 0.063352 -0.097641 0.114576 9C 5s -0.032929 -0.078501 -0.005073 0.074229 0.033192 -0.048128 9C 1pz 0.000695 -0.011680 0.000471 -0.012624 -0.007026 0.005346 9C 1px 0.002186 -0.003635 0.008687 -0.002698 0.003128 -0.013388 9C 1py -0.011674 0.004269 0.004092 -0.012496 -0.001426 0.001685 9C 2pz -0.027050 -0.004310 0.038761 -0.136669 0.152054 -0.033180 9C 2px -0.014790 0.020911 -0.075249 0.018022 -0.012600 0.130719 9C 2py 0.189382 -0.119044 -0.132856 -0.068675 -0.086598 -0.057464 9C 3pz 0.037973 0.010439 0.000267 0.011366 0.000612 -0.009260 9C 3px 0.011725 -0.005609 -0.020617 -0.023488 0.005258 0.049658 9C 3py -0.024138 0.038474 -0.004203 -0.009449 0.003044 0.005933 9C 1dz2 -0.003243 -0.000779 0.027263 0.015175 0.021922 -0.004524 9C 1dxz -0.002729 -0.001455 0.002226 0.008133 0.006735 0.022923 9C 1dyz -0.002123 0.010271 -0.006629 0.011915 -0.012452 -0.008525 9C 1dx2y2 0.001050 -0.006718 0.015984 0.000470 0.017341 0.003955 9C 1dxy 0.002217 0.001553 -0.015243 0.001552 -0.010164 0.011964 9C 2dz2 -0.016263 -0.020735 0.014282 0.031546 0.003086 0.051860 9C 2dxz -0.026701 0.019914 0.081203 0.066315 0.083064 -0.025252 9C 2dyz -0.042484 0.030506 0.022365 -0.001248 -0.020026 0.002965 9C 2dx2y2 -0.036939 -0.017700 0.071103 -0.025562 0.082836 -0.016174 9C 2dxy 0.090573 -0.022776 -0.051112 0.014997 -0.101580 -0.094075 9C 1f0 0.016647 0.029173 -0.054439 -0.003081 -0.055626 -0.025209 9C 1f+1 -0.020965 0.013623 -0.006017 0.007587 -0.005198 0.004281 9C 1f-1 -0.001152 0.001111 -0.002642 0.001972 0.003075 -0.007408 9C 1f+2 -0.020157 0.005685 -0.019981 -0.033724 -0.034171 0.002636 9C 1f-2 0.008102 0.011506 -0.021390 0.000116 -0.011232 -0.000674 9C 1f+3 0.012040 -0.004989 -0.012122 -0.016339 -0.007969 0.009524 9C 1f-3 0.003673 -0.003372 0.015240 0.018811 0.021558 0.004580 10H 1s 0.012770 -0.008664 -0.008648 -0.030055 0.000938 -0.001491 10H 2s 0.029598 -0.030719 -0.058023 -0.079654 0.033200 0.034203 10H 3s -0.008861 0.004227 0.010642 0.045297 -0.007219 0.014016 10H 1pz 0.011762 -0.001073 -0.023993 -0.011181 0.017609 0.014423 10H 1px -0.007501 0.014048 0.011675 0.031707 -0.003975 -0.002137 10H 1py -0.011375 -0.004214 0.002057 -0.002889 -0.010127 0.016427 11H 1s 0.020186 -0.002374 -0.029410 0.006978 0.031978 -0.016225 11H 2s 0.110072 0.031969 -0.106837 0.019846 0.151785 -0.096514 11H 3s -0.054149 -0.036157 0.028017 0.009483 -0.021715 0.014261 11H 1pz 0.030478 0.005790 -0.032260 -0.003726 0.041498 -0.032326 11H 1px 0.015452 0.001413 -0.020539 0.007648 0.026945 -0.020560 11H 1py -0.020016 0.000497 0.020844 -0.000538 -0.022930 0.006953 12H 1s -0.022007 -0.001592 0.031879 -0.011465 -0.034632 0.004508 12H 2s -0.117996 -0.064133 0.134778 -0.005206 -0.164638 0.007833 12H 3s 0.053022 0.031906 -0.026540 -0.001645 0.049330 -0.007812 12H 1pz 0.011797 -0.000547 -0.000784 0.004920 -0.002520 -0.006910 12H 1px -0.012843 -0.004731 0.020076 0.003213 -0.019886 -0.004845 12H 1py -0.031795 -0.020998 0.046101 -0.012946 -0.055806 -0.002275 13H 1s 0.009139 0.004898 -0.000344 0.003886 -0.030384 0.010014 13H 2s 0.061676 -0.026900 -0.043722 0.002399 -0.105198 0.088237 13H 3s -0.022530 0.013243 0.006918 0.002224 0.036158 0.002938 13H 1pz 0.008855 0.006116 -0.007043 0.001700 -0.028629 0.025462 13H 1px -0.011113 0.003473 0.008406 0.005189 0.026743 -0.006882 13H 1py -0.016231 0.017465 0.016435 -0.003632 0.013543 -0.029153 14H 1s -0.021476 0.029380 0.020985 0.006897 -0.008065 -0.004651 14H 2s -0.104419 0.156375 0.082761 -0.033230 0.007148 -0.082710 14H 3s 0.052517 -0.057542 -0.013885 0.017517 -0.003567 -0.000991 14H 1pz -0.015990 0.031816 0.019026 -0.004760 -0.008444 -0.016882 14H 1px -0.035863 0.043077 0.026858 -0.010315 0.001191 -0.029421 14H 1py 0.000043 -0.000069 -0.005758 0.002007 -0.010721 0.015583 15H 1s -0.005927 -0.023775 -0.022374 -0.021856 0.008597 -0.013982 15H 2s -0.001721 -0.125007 -0.075639 -0.066388 0.018639 -0.057962 15H 3s -0.005661 0.032896 0.002651 -0.021960 0.007851 -0.001345 15H 1pz 0.001617 0.020199 0.017610 0.018084 -0.006395 0.010031 15H 1px -0.010414 -0.000814 -0.002683 -0.008236 0.006678 -0.011542 15H 1py 0.002829 0.039052 0.027081 0.023954 0.003804 0.021798 16H 1s -0.003701 0.001611 0.001696 0.005516 0.003761 -0.000826 16H 2s 0.004312 -0.000016 0.004061 0.002572 -0.005405 0.002615 16H 3s 0.013363 0.009975 0.002125 0.022900 0.003163 -0.009227 16H 1pz -0.000262 0.003296 0.002191 0.005744 -0.001763 0.000432 16H 1px -0.014692 -0.002773 0.002008 -0.013143 -0.002020 0.003235 16H 1py -0.005283 -0.003669 0.002697 0.003088 0.008599 -0.001279 17H 1s 0.000939 0.004354 -0.001819 -0.008103 -0.004365 -0.000172 17H 2s 0.014676 0.000895 -0.010170 -0.003564 -0.019758 0.009696 17H 3s 0.013209 0.012998 -0.009297 -0.007643 -0.018696 0.005660 17H 1pz 0.006386 -0.002117 -0.000406 0.006288 0.007024 -0.004757 17H 1px -0.018491 -0.006798 0.008353 0.003270 0.014880 0.000154 17H 1py -0.001692 -0.001457 -0.001251 -0.006467 0.000848 0.001544 18H 1s 0.000772 -0.004360 -0.001648 0.008249 0.004165 -0.000152 18H 2s 0.015337 -0.001263 -0.010424 0.004251 0.019544 0.010661 18H 3s 0.013376 -0.013020 -0.009370 0.008429 0.018294 0.005931 18H 1pz -0.006371 -0.002236 0.000444 0.006399 0.006989 0.005035 18H 1px 0.018874 -0.006842 -0.008501 0.003955 0.014728 0.000216 18H 1py 0.002023 -0.001622 0.000998 -0.006431 0.001339 -0.001493 19H 1s -0.003599 -0.001595 0.001593 -0.005711 -0.003476 -0.000882 19H 2s 0.005666 -0.000333 0.003455 -0.002407 0.005463 0.003086 19H 3s 0.013900 -0.010071 0.001467 -0.022735 -0.002470 -0.009138 19H 1pz -0.000453 0.003579 -0.001806 0.005656 -0.002244 -0.000630 19H 1px 0.015160 -0.002798 -0.002413 -0.012874 -0.001897 -0.003306 19H 1py 0.005545 -0.003673 -0.002761 0.003238 0.008478 0.001308 20H 1s -0.004490 0.024211 -0.021753 0.022279 -0.008320 -0.014394 20H 2s 0.005922 0.127390 -0.073675 0.067324 -0.016804 -0.059626 20H 3s -0.007852 -0.033677 0.003140 0.021815 -0.008672 -0.001333 20H 1pz -0.000037 0.020659 -0.017166 0.018351 -0.006102 -0.010311 20H 1px 0.011212 -0.001277 0.002509 -0.008286 0.006523 0.011851 20H 1py -0.000492 0.039680 -0.026313 0.024242 0.004434 -0.022199 21H 1s -0.024126 -0.029672 0.021035 -0.007776 0.008099 -0.004250 21H 2s -0.118363 -0.158385 0.084869 0.029229 -0.006307 -0.081076 21H 3s 0.057186 0.057782 -0.014486 -0.016782 0.003782 -0.001300 21H 1pz 0.018683 0.032640 -0.019515 -0.004004 -0.008726 0.016518 21H 1px 0.039731 0.043392 -0.027458 -0.008914 0.000805 0.028874 21H 1py -0.000086 0.000003 0.005860 0.001835 -0.010199 -0.015548 22H 1s 0.010514 -0.004974 -0.000788 -0.003648 0.030325 0.010314 22H 2s 0.067783 0.025968 -0.044597 -0.000735 0.103032 0.089028 22H 3s -0.023619 -0.012643 0.007005 -0.002597 -0.036075 0.002742 22H 1pz -0.009095 0.006529 0.007173 0.001468 -0.027724 -0.025677 22H 1px 0.012933 0.003309 -0.008500 0.005457 0.026764 0.007092 22H 1py 0.017834 0.017448 -0.016708 -0.003003 0.013044 0.029210 23H 1s -0.023991 0.001323 0.032033 0.010163 0.035106 0.005425 23H 2s -0.129562 0.063134 0.134710 0.000274 0.167453 0.012625 23H 3s 0.056225 -0.032323 -0.026016 0.003181 -0.049378 -0.009215 23H 1pz -0.012418 -0.000542 0.001203 0.004560 -0.002204 0.006808 23H 1px 0.013130 -0.004170 -0.019312 0.003961 -0.019408 0.004365 23H 1py 0.035738 -0.020676 -0.046790 -0.011313 -0.057357 0.000529 24H 1s 0.022661 0.002265 -0.029203 -0.005566 -0.032341 -0.017149 24H 2s 0.123050 -0.034238 -0.105487 -0.013932 -0.152920 -0.101661 24H 3s -0.058969 0.036716 0.028218 -0.011024 0.023016 0.015008 24H 1pz -0.033401 0.006343 0.031221 -0.005439 0.041312 0.033516 24H 1px -0.018341 0.002007 0.020806 0.006431 0.027832 0.021937 24H 1py 0.021661 0.000423 -0.020250 0.000634 -0.022542 -0.007205 25H 1s 0.012302 0.008846 -0.007552 0.030393 -0.000422 -0.001337 25H 2s 0.027869 0.031306 -0.053617 0.081228 -0.029951 0.034638 25H 3s -0.007834 -0.004929 0.008424 -0.045309 0.006077 0.013843 25H 1pz -0.012466 -0.001355 0.023286 -0.012104 0.017189 -0.014208 25H 1px 0.006457 0.014095 -0.009942 0.032048 -0.002778 0.002384 25H 1py 0.012733 -0.004212 -0.002279 -0.002202 -0.010477 -0.016884 26O 1s -0.000472 -0.000494 -0.000361 -0.001589 0.000016 0.001085 26O 2s -0.002233 -0.001597 -0.001348 -0.005007 0.000582 0.004285 26O 3s 0.037176 0.010847 0.015748 0.034450 -0.019391 -0.058816 26O 4s -0.138140 0.001334 -0.065947 -0.007007 0.091919 0.221865 26O 5s -0.037656 -0.002366 0.060191 0.149840 0.114809 -0.034403 26O 1pz 0.004616 0.006645 0.005040 0.002716 -0.000294 -0.010968 26O 1px 0.006883 0.002773 -0.002760 -0.001978 0.004904 0.005006 26O 1py -0.008792 -0.005448 0.005025 0.005843 0.005037 -0.008622 26O 2pz -0.007740 -0.019618 -0.016109 -0.021986 -0.005506 0.042751 26O 2px 0.040421 -0.016912 0.025134 -0.040650 -0.069743 -0.085254 26O 2py 0.052201 0.000266 -0.022478 -0.038802 -0.026050 -0.006062 26O 3pz 0.046064 0.024602 -0.010110 0.026506 -0.005815 -0.002242 26O 3px 0.089228 0.025030 -0.019328 -0.012834 -0.058826 -0.026400 26O 3py -0.003698 -0.036094 0.013389 0.041472 0.007831 -0.024571 26O 1dz2 0.010243 0.018622 -0.002875 0.000063 0.017050 -0.015226 26O 1dxz 0.000546 0.011421 0.004700 -0.003375 0.003025 -0.001164 26O 1dyz -0.004376 -0.005323 0.012403 0.003380 -0.011582 -0.004177 26O 1dx2y2 0.003802 0.012838 0.007953 -0.016456 0.004526 -0.011246 26O 1dxy 0.001580 -0.008411 -0.010623 -0.003867 0.006803 -0.008537 26O 2dz2 0.006762 -0.006547 -0.002474 -0.009611 -0.009579 -0.010807 26O 2dxz -0.009282 -0.004243 0.002352 0.002680 0.005386 -0.012358 26O 2dyz -0.006581 -0.005416 0.003026 -0.007691 -0.000475 -0.002065 26O 2dx2y2 -0.010082 -0.002482 -0.012332 0.008944 0.025687 0.013833 26O 2dxy -0.023864 0.005525 0.011121 0.003311 0.005069 0.014124 26O 1f0 0.343428 0.320581 0.139612 -0.147918 -0.054007 -0.035386 26O 1f+1 -0.079336 -0.083978 -0.013331 -0.016014 -0.106026 0.151959 26O 1f-1 0.044309 0.035152 0.102781 0.149949 -0.022267 -0.205200 26O 1f+2 0.177464 0.127874 0.091135 -0.085542 -0.057700 -0.067650 26O 1f-2 0.211726 0.191073 0.019287 -0.082323 0.065380 -0.045945 26O 1f+3 0.039095 0.065050 0.076710 0.003203 -0.028564 -0.078264 26O 1f-3 0.039298 0.026951 -0.059129 -0.032514 0.103300 -0.029580 27O 1s 0.000424 0.000989 -0.000799 -0.000584 -0.001167 0.001263 27O 2s 0.001943 0.003286 -0.003156 -0.002171 -0.003745 0.004906 27O 3s -0.030768 -0.028637 0.043865 0.027428 0.023819 -0.066346 27O 4s 0.137967 0.034581 -0.168169 -0.072549 -0.005749 0.253774 27O 5s -0.142027 -0.090949 0.014681 -0.051938 0.107916 -0.077764 27O 1pz -0.005416 0.000896 -0.000706 -0.011252 0.004312 -0.009763 27O 1px -0.007699 0.000622 -0.003541 -0.006904 -0.003672 0.005394 27O 1py -0.001652 0.003542 -0.006951 -0.004492 -0.003553 0.015683 27O 2pz 0.019559 -0.002634 -0.013718 0.022165 -0.015845 0.047071 27O 2px -0.027065 0.009021 0.070334 0.046524 -0.029597 -0.096170 27O 2py 0.008886 -0.019216 0.001804 -0.005562 0.031244 -0.048650 27O 3pz -0.049283 -0.009899 -0.010390 -0.053676 0.015071 0.003749 27O 3px -0.011141 -0.000933 0.033707 0.043261 -0.007325 -0.022815 27O 3py 0.023448 0.016480 -0.022700 -0.050815 0.005055 0.031867 27O 1dz2 -0.001562 0.017679 0.006502 0.000636 0.015689 0.004330 27O 1dxz 0.000456 0.004365 -0.009134 -0.014033 0.010133 -0.009888 27O 1dyz 0.010810 -0.009899 -0.006377 0.009748 -0.012799 0.020765 27O 1dx2y2 0.004744 0.014965 -0.001648 -0.006529 -0.004718 -0.004660 27O 1dxy -0.000828 -0.000662 -0.008365 -0.009252 0.000576 -0.000044 27O 2dz2 -0.005190 -0.001313 0.010900 0.010899 -0.003521 -0.008640 27O 2dxz 0.003926 0.005620 0.013022 0.009637 -0.000873 -0.016107 27O 2dyz -0.003503 -0.006921 -0.002736 -0.003258 0.007458 -0.001072 27O 2dx2y2 0.008980 0.003362 -0.013026 -0.009495 0.010541 0.022848 27O 2dxy -0.009333 0.003447 0.011675 0.016482 -0.008375 0.013998 27O 1f0 0.059363 0.106227 -0.194378 -0.110878 -0.126135 0.215279 27O 1f+1 0.070407 -0.142195 -0.028669 0.047133 -0.090508 0.050605 27O 1f-1 0.287294 -0.124323 0.197838 0.438445 -0.154794 0.236799 27O 1f+2 0.054918 0.106893 -0.069977 -0.005521 -0.112567 0.150855 27O 1f-2 -0.002909 0.016188 0.076611 0.036598 0.025390 -0.081763 27O 1f+3 -0.052771 0.075379 -0.009679 -0.069348 0.066967 -0.056003 27O 1f-3 -0.068339 -0.025836 -0.083740 -0.145594 0.009226 -0.081434 28O 1s 0.000190 -0.000438 0.000562 -0.001868 -0.000087 -0.001472 28O 2s 0.000942 -0.001330 0.002191 -0.006280 -0.000368 -0.005825 28O 3s -0.015752 0.006581 -0.030865 0.054577 0.003234 0.079333 28O 4s 0.077235 0.012561 0.117041 -0.089021 -0.019332 -0.298618 28O 5s -0.075403 0.037943 0.009335 0.139128 0.012885 0.045072 28O 1pz -0.007509 0.001627 0.002879 0.004403 -0.007469 0.003801 28O 1px 0.000425 0.003718 -0.001785 0.005595 -0.002094 0.012780 28O 1py 0.005698 -0.002000 -0.013099 0.006820 0.013380 0.007495 28O 2pz 0.004716 -0.019320 -0.024728 -0.033471 0.010361 0.044347 28O 2px 0.022652 0.005174 0.045462 -0.008937 -0.002130 -0.118864 28O 2py -0.024526 -0.000211 0.030682 -0.028868 -0.031770 -0.019835 28O 3pz -0.032974 0.007686 -0.003856 0.032086 -0.032618 0.054218 28O 3px -0.028378 0.008764 0.027995 -0.005193 -0.016780 -0.033766 28O 3py 0.030584 -0.002308 -0.035471 0.031176 0.039202 0.038530 28O 1dz2 0.000460 -0.010370 0.001942 0.006707 -0.014979 0.011762 28O 1dxz -0.010223 -0.006487 -0.003394 0.010989 0.002243 0.002312 28O 1dyz -0.008177 0.005176 -0.010320 0.005989 0.018941 0.010022 28O 1dx2y2 -0.010669 -0.017306 -0.006033 -0.001957 -0.005344 0.004246 28O 1dxy 0.008554 0.005849 0.003889 -0.002536 -0.006501 0.010365 28O 2dz2 0.001415 -0.003870 -0.010887 0.002430 0.009166 0.003498 28O 2dxz -0.005486 -0.005738 -0.006981 -0.003247 -0.004906 0.023979 28O 2dyz 0.006763 0.001622 0.002404 -0.007192 -0.001925 0.002299 28O 2dx2y2 0.002484 0.000099 0.010862 -0.002633 -0.001820 -0.023074 28O 2dxy -0.009006 -0.004113 0.000372 -0.005690 0.001132 -0.002657 28O 1f0 -0.001283 0.092119 0.168814 -0.080881 -0.152255 -0.008133 28O 1f+1 -0.020946 0.044124 0.194071 -0.042086 -0.231174 0.031071 28O 1f-1 -0.092010 0.045084 0.046866 0.137609 -0.110557 0.200770 28O 1f+2 -0.094912 0.023582 0.289997 -0.071056 -0.366884 0.082381 28O 1f-2 -0.101237 0.030841 -0.030152 0.134069 -0.003734 0.197651 28O 1f+3 0.133556 0.063098 -0.207040 0.006482 0.333920 -0.132637 28O 1f-3 0.015757 -0.097890 0.006990 -0.071235 0.011948 -0.187823 29O 1s 0.000171 0.000178 -0.000069 -0.000020 -0.000221 0.000050 29O 2s 0.000528 0.000474 -0.000193 -0.000007 -0.000593 0.000113 29O 3s -0.003811 -0.002529 0.001060 -0.001048 0.003001 -0.000183 29O 4s 0.002787 0.000967 0.000310 0.006324 -0.002903 -0.000589 29O 5s 0.000335 -0.007085 -0.000334 -0.009875 0.023803 -0.006997 29O 1pz 0.002790 0.000065 -0.000587 -0.004279 -0.003154 -0.002446 29O 1px -0.003071 0.001377 0.000223 -0.006351 -0.001840 0.000684 29O 1py -0.003081 -0.003540 0.001045 -0.001935 0.004786 0.001004 29O 2pz -0.010990 -0.001525 0.005838 0.018981 0.014260 0.004384 29O 2px 0.004294 -0.004195 0.001542 0.018492 0.009902 -0.003237 29O 2py 0.008364 0.010328 -0.003439 0.002748 -0.015980 -0.000771 29O 3pz 0.005810 0.003382 0.002333 -0.016868 -0.004783 -0.004658 29O 3px -0.013551 -0.005470 0.005881 -0.005630 0.001939 -0.001577 29O 3py -0.004424 -0.008826 0.001068 -0.006485 0.002289 0.007525 29O 1dz2 -0.006174 -0.002643 0.002488 0.000713 -0.001193 0.002156 29O 1dxz -0.005992 -0.003280 0.000788 -0.003373 -0.003094 0.001095 29O 1dyz 0.007897 0.001603 -0.003966 0.001721 -0.000839 0.000018 29O 1dx2y2 0.002006 0.002544 -0.002386 -0.002302 -0.005976 0.000799 29O 1dxy -0.014800 -0.002821 0.003799 -0.005738 0.001339 0.003536 29O 2dz2 -0.000588 -0.000120 -0.001112 -0.004040 -0.003110 0.001870 29O 2dxz -0.008585 -0.003957 0.003936 0.002126 0.004442 -0.001073 29O 2dyz 0.003910 0.000557 -0.003709 -0.006658 -0.005345 0.000730 29O 2dx2y2 0.011895 0.006553 -0.002873 0.002559 -0.005109 -0.001729 29O 2dxy -0.000842 0.001457 -0.001484 -0.005396 -0.004601 0.002148 29O 1f0 -0.070122 -0.038282 0.015284 -0.010843 0.029848 0.008067 29O 1f+1 0.057805 0.031831 -0.014697 0.011619 -0.025215 -0.000501 29O 1f-1 0.116908 0.054462 -0.026707 0.024265 -0.034438 -0.014343 29O 1f+2 0.140031 0.057178 -0.032521 0.038580 -0.027136 -0.019278 29O 1f-2 -0.013706 -0.019800 0.001724 0.000001 0.016636 -0.000973 29O 1f+3 0.079429 0.012440 -0.018479 0.022122 0.011565 -0.014542 29O 1f-3 -0.162563 -0.093711 0.034966 -0.029841 0.057623 0.012429 30O 1s -0.000826 0.001116 0.000928 -0.000484 -0.001225 -0.001655 30O 2s -0.003566 0.003707 0.003622 -0.001793 -0.003490 -0.006384 30O 3s 0.055247 -0.034370 -0.049001 0.021668 0.011587 0.084456 30O 4s -0.206356 0.056954 0.173057 -0.066550 0.068151 -0.316925 30O 5s -0.114092 -0.031292 -0.019248 0.014965 0.148078 0.007005 30O 1pz 0.004675 -0.007916 -0.005019 -0.008088 0.003575 -0.003396 30O 1px 0.000039 -0.005639 -0.004984 0.001880 0.000973 0.019309 30O 1py 0.000198 -0.003981 0.000303 -0.008761 -0.009608 -0.011614 30O 2pz 0.031441 0.019423 -0.019506 0.021551 -0.054450 0.049681 30O 2px -0.071255 0.020356 0.060710 -0.022272 0.049769 -0.139353 30O 2py -0.057815 0.001939 0.023886 0.014860 0.070445 -0.012204 30O 3pz 0.082822 -0.046615 -0.029617 -0.019474 -0.016118 -0.004459 30O 3px -0.074406 -0.002833 0.021928 -0.009500 0.031735 -0.026751 30O 3py -0.031615 0.001413 0.025729 -0.060632 -0.010379 -0.052544 30O 1dz2 -0.002711 -0.022064 -0.007653 -0.004107 -0.007738 -0.007298 30O 1dxz 0.012390 -0.007953 0.008849 0.013924 0.001951 0.002053 30O 1dyz -0.000928 0.008307 0.006566 -0.003432 0.007320 -0.016080 30O 1dx2y2 0.007377 -0.011023 -0.003348 0.002457 -0.013029 0.002307 30O 1dxy 0.004509 0.004441 0.011226 0.008583 -0.007592 -0.005266 30O 2dz2 0.009676 -0.000287 0.001804 0.011453 -0.001355 0.013393 30O 2dxz 0.017668 -0.004777 -0.014875 0.001368 -0.019523 0.017012 30O 2dyz 0.024103 -0.007533 -0.013907 -0.001678 -0.002891 0.002817 30O 2dx2y2 0.002785 0.001963 0.006264 -0.002456 0.009035 -0.022604 30O 2dxy -0.024146 0.000353 0.010157 -0.005422 0.019817 -0.016912 30O 1f0 -0.081491 0.200467 0.129037 -0.000160 -0.040679 -0.124743 30O 1f+1 -0.069178 -0.067980 -0.059973 -0.178012 -0.067139 -0.220066 30O 1f-1 -0.025269 0.211012 0.208433 0.224874 0.025957 0.103267 30O 1f+2 -0.004294 -0.142141 -0.031840 -0.070448 -0.126122 -0.147408 30O 1f-2 -0.075724 0.237751 0.221125 0.103987 -0.035685 -0.113029 30O 1f+3 -0.025372 0.201961 0.163771 0.133067 0.090626 0.029080 30O 1f-3 0.011313 -0.004594 -0.113670 -0.076332 0.079689 0.104146 31O 1s -0.000814 -0.001125 0.000926 0.000454 0.001270 -0.001639 31O 2s -0.003544 -0.003743 0.003628 0.001674 0.003665 -0.006343 31O 3s 0.055650 0.034790 -0.049448 -0.020001 -0.013858 0.084513 31O 4s -0.210520 -0.058028 0.175993 0.060448 -0.059974 -0.318823 31O 5s -0.119357 0.030678 -0.017377 -0.016193 -0.148633 0.004395 31O 1pz -0.004919 -0.007948 0.004772 -0.008262 0.003630 0.003618 31O 1px -0.000496 -0.005792 0.005122 0.001690 0.001423 -0.019295 31O 1py -0.000711 -0.003996 -0.000379 -0.008759 -0.009899 0.011430 31O 2pz -0.031515 0.019444 0.020743 0.020881 -0.053465 -0.051209 31O 2px 0.074307 0.020982 -0.062163 -0.019959 0.046366 0.140331 31O 2py 0.060766 0.002035 -0.024515 0.015921 0.070189 0.013618 31O 3pz -0.083535 -0.046952 0.029128 -0.020800 -0.016022 0.004075 31O 3px 0.075998 -0.002555 -0.022676 -0.008132 0.030992 0.027403 31O 3py 0.032583 0.001817 -0.026971 -0.059875 -0.011222 0.053036 31O 1dz2 -0.002273 0.022095 -0.007596 0.004250 0.007789 -0.007352 31O 1dxz 0.012790 0.007970 0.008549 -0.014028 -0.001830 0.002023 31O 1dyz -0.001491 -0.008393 0.006782 0.003249 -0.006975 -0.016113 31O 1dx2y2 0.007877 0.011025 -0.003489 -0.002362 0.012977 0.002406 31O 1dxy 0.004624 -0.004475 0.011002 -0.008845 0.007880 -0.005105 31O 2dz2 0.010343 0.000338 0.001502 -0.011371 0.001110 0.013389 31O 2dxz 0.017562 0.004862 -0.015088 -0.000887 0.019057 0.017457 31O 2dyz 0.024133 0.007578 -0.013879 0.002142 0.002600 0.002991 31O 2dx2y2 0.002457 -0.002083 0.006407 0.002272 -0.008607 -0.022732 31O 2dxy -0.025350 -0.000446 0.010553 0.004976 -0.019458 -0.017338 31O 1f0 0.090878 0.201819 -0.129059 0.003845 -0.044365 0.122549 31O 1f+1 0.066163 -0.068093 0.056022 -0.178174 -0.070370 0.219568 31O 1f-1 0.039416 0.212892 -0.203528 0.229506 0.025322 -0.104787 31O 1f+2 -0.009343 -0.143040 0.031411 -0.070550 -0.129249 0.146539 31O 1f-2 0.087748 0.240006 -0.218930 0.109994 -0.040503 0.110454 31O 1f+3 0.039205 0.203728 -0.161771 0.136776 0.089475 -0.029486 31O 1f-3 -0.008878 -0.005186 0.111594 -0.079570 0.083611 -0.102532 32O 1s 0.000186 -0.000181 -0.000075 0.000027 0.000219 0.000059 32O 2s 0.000571 -0.000481 -0.000211 0.000025 0.000585 0.000138 32O 3s -0.004109 0.002548 0.001200 0.000967 -0.002916 -0.000290 32O 4s 0.003488 -0.000966 -0.000088 -0.006351 0.002706 -0.000552 32O 5s -0.002500 0.007718 0.001121 0.009468 -0.023608 -0.008082 32O 1pz -0.002732 0.000089 0.000522 -0.004388 -0.003179 0.002411 32O 1px 0.003183 0.001396 -0.000372 -0.006265 -0.001776 -0.000784 32O 1py 0.003298 -0.003586 -0.001164 -0.001936 0.004802 -0.000907 32O 2pz 0.010536 -0.001534 -0.005457 0.019531 0.014197 -0.004149 32O 2px -0.004469 -0.004309 -0.001180 0.018445 0.009665 0.003678 32O 2py -0.008903 0.010477 0.003666 0.002819 -0.015814 0.000370 32O 3pz -0.005698 0.003178 -0.002650 -0.016872 -0.004784 0.004733 32O 3px 0.013412 -0.005578 -0.005888 -0.005155 0.002086 0.001740 32O 3py 0.004013 -0.008613 -0.001281 -0.006467 0.002456 -0.007588 32O 1dz2 -0.006543 0.002703 0.002661 -0.000828 0.001186 0.002100 32O 1dxz -0.005816 0.003145 0.000828 0.003145 0.003061 0.001022 32O 1dyz 0.007591 -0.001607 -0.003944 -0.001403 0.000905 0.000165 32O 1dx2y2 0.002242 -0.002654 -0.002371 0.002292 0.005951 0.000868 32O 1dxy -0.015257 0.002802 0.004026 0.005542 -0.001297 0.003551 32O 2dz2 -0.000975 0.000189 -0.000800 0.003740 0.002746 0.001800 32O 2dxz -0.008692 0.004008 0.004027 -0.002640 -0.004488 -0.001272 32O 2dyz 0.003830 -0.000640 -0.003602 0.006988 0.005319 0.000850 32O 2dx2y2 0.012328 -0.006613 -0.002986 -0.002566 0.005054 -0.001655 32O 2dxy -0.000989 -0.001500 -0.001335 0.005385 0.004430 0.002286 32O 1f0 0.078934 -0.041395 -0.017684 -0.010746 0.032002 -0.008382 32O 1f+1 -0.061515 0.033268 0.015843 0.010737 -0.026428 0.000204 32O 1f-1 -0.122150 0.054861 0.028689 0.023034 -0.034492 0.013999 32O 1f+2 -0.134954 0.053139 0.032280 0.034418 -0.025339 0.017833 32O 1f-2 0.012751 -0.018367 -0.001519 0.000523 0.015205 0.001215 32O 1f+3 -0.085157 0.014107 0.020354 0.021351 0.010478 0.015082 32O 1f-3 0.171082 -0.096046 -0.037879 -0.027510 0.059871 -0.011418 33O 1s 0.000167 0.000437 0.000607 0.001855 0.000100 -0.001475 33O 2s 0.000892 0.001333 0.002347 0.006234 0.000427 -0.005836 33O 3s -0.015949 -0.006728 -0.032295 -0.053907 -0.004127 0.079499 33O 4s 0.079906 -0.012060 0.119743 0.086714 0.023019 -0.298650 33O 5s -0.068369 -0.038039 0.008416 -0.139664 -0.011155 0.043860 33O 1pz 0.007409 0.001596 -0.002780 0.004501 -0.007620 -0.003826 33O 1px -0.000174 0.003603 0.002127 0.005584 -0.001841 -0.012821 33O 1py -0.006138 -0.002024 0.013115 0.006548 0.013638 -0.007249 33O 2pz -0.003080 -0.018872 0.024411 -0.034034 0.011646 -0.044536 33O 2px -0.025484 0.005292 -0.046450 -0.007992 -0.004051 0.119093 33O 2py 0.026743 -0.000153 -0.030904 -0.028251 -0.032271 0.019018 33O 3pz 0.032268 0.007262 0.005674 0.031662 -0.031876 -0.054876 33O 3px 0.026417 0.008603 -0.028665 -0.004129 -0.018056 0.033877 33O 3py -0.030815 -0.002374 0.035775 0.030135 0.040093 -0.038467 33O 1dz2 0.000323 0.010344 0.001599 -0.006715 0.014760 0.011793 33O 1dxz -0.010376 0.006599 -0.003649 -0.010992 -0.002405 0.002188 33O 1dyz -0.008097 -0.005048 -0.010245 -0.005882 -0.019075 0.009677 33O 1dx2y2 -0.011197 0.017395 -0.005932 0.002115 0.005259 0.004222 33O 1dxy 0.008956 -0.005967 0.003833 0.002425 0.006455 0.010409 33O 2dz2 0.000990 0.004087 -0.010804 -0.002099 -0.009288 0.003312 33O 2dxz -0.006051 0.005528 -0.007163 0.003419 0.004484 0.024177 33O 2dyz 0.007461 -0.001502 0.002480 0.007163 0.001890 0.002131 33O 2dx2y2 0.003221 -0.000119 0.011036 0.002299 0.002177 -0.023142 33O 2dxy -0.010103 0.004084 0.000494 0.005668 -0.001162 -0.002521 33O 1f0 0.002609 0.092317 -0.168521 -0.077764 -0.154369 0.005940 33O 1f+1 0.024316 0.044151 -0.191853 -0.038068 -0.232774 -0.034187 33O 1f-1 0.094749 0.044721 -0.042799 0.139216 -0.109870 -0.201691 33O 1f+2 0.105735 0.022758 -0.286873 -0.064954 -0.368969 -0.087119 33O 1f-2 0.103781 0.029710 0.033251 0.134286 -0.002073 -0.196859 33O 1f+3 -0.147214 0.064032 0.203281 0.002044 0.334472 0.136666 33O 1f-3 -0.011561 -0.097481 -0.009339 -0.071639 0.010586 0.186765 34O 1s 0.000465 -0.000986 -0.000807 0.000607 0.001132 0.001268 34O 2s 0.002089 -0.003281 -0.003182 0.002260 0.003605 0.004921 34O 3s -0.032150 0.028657 0.043976 -0.028716 -0.021808 -0.066198 34O 4s 0.140495 -0.034718 -0.167830 0.077765 -0.002176 0.252286 34O 5s -0.143975 0.090133 0.016712 0.049702 -0.106709 -0.079778 34O 1pz 0.006241 0.001001 0.000334 -0.011192 0.004115 0.009765 34O 1px 0.007635 0.000601 0.003477 -0.006974 -0.003473 -0.005401 34O 1py 0.001865 0.003498 0.006902 -0.004664 -0.003206 -0.015716 34O 2pz -0.022677 -0.003085 0.014744 0.021530 -0.014732 -0.047088 34O 2px 0.027179 0.008763 -0.069608 0.048572 -0.032996 0.095123 34O 2py -0.008952 -0.019018 -0.002327 -0.005473 0.030495 0.049170 34O 3pz 0.049146 -0.009532 0.009052 -0.053464 0.014983 -0.003530 34O 3px 0.010326 -0.000916 -0.032909 0.043601 -0.009120 0.022242 34O 3py -0.022510 0.016293 0.021388 -0.051444 0.006533 -0.031452 34O 1dz2 -0.002175 -0.017719 0.006626 -0.000780 -0.015866 0.004196 34O 1dxz 0.000071 -0.004378 -0.008690 0.014248 -0.010175 -0.010014 34O 1dyz 0.011314 0.010016 -0.006700 -0.009492 0.012439 0.020914 34O 1dx2y2 0.004706 -0.015064 -0.001519 0.006576 0.004730 -0.004525 34O 1dxy -0.000921 0.000801 -0.008157 0.009433 -0.000810 -0.000038 34O 2dz2 -0.004900 0.001434 0.010742 -0.011190 0.003917 -0.008475 34O 2dxz 0.002931 -0.005862 0.012902 -0.009994 0.001405 -0.016005 34O 2dyz -0.003831 0.007003 -0.002515 0.003331 -0.007514 -0.001191 34O 2dx2y2 0.008872 -0.003450 -0.012902 0.009895 -0.011358 0.022596 34O 2dxy -0.009658 -0.003254 0.011260 -0.016714 0.008238 0.014229 34O 1f0 -0.056481 0.106126 0.193456 -0.116180 -0.118451 -0.216985 34O 1f+1 -0.082453 -0.143110 0.030968 0.045971 -0.090152 -0.051219 34O 1f-1 -0.318431 -0.125950 -0.185368 0.440600 -0.155610 -0.238583 34O 1f+2 -0.052368 0.107084 0.071163 -0.007741 -0.108320 -0.152748 34O 1f-2 0.001261 0.016437 -0.076186 0.038727 0.022594 0.081831 34O 1f+3 0.060999 0.075872 0.007085 -0.069214 0.066783 0.056645 34O 1f-3 0.072807 -0.025885 0.080113 -0.146817 0.009324 0.081743 35O 1s -0.000490 0.000497 -0.000321 0.001591 -0.000033 0.001068 35O 2s -0.002300 0.001612 -0.001221 0.005010 -0.000659 0.004218 35O 3s 0.037753 -0.011087 0.014783 -0.034284 0.020650 -0.057761 35O 4s -0.138795 -0.000505 -0.065063 0.006526 -0.096638 0.218029 35O 5s -0.036817 0.002582 0.058713 -0.151491 -0.114271 -0.035918 35O 1pz -0.005058 0.006752 -0.004957 0.002806 -0.000358 0.010939 35O 1px -0.007062 0.002785 0.002593 -0.002134 0.004958 -0.004863 35O 1py 0.009446 -0.005435 -0.005083 0.006035 0.004827 0.008667 35O 2pz 0.009468 -0.020059 0.015644 -0.022324 -0.005303 -0.042874 35O 2px -0.039517 -0.016666 -0.025398 -0.040754 -0.071691 0.083211 35O 2py -0.053999 0.000268 0.022135 -0.039984 -0.026101 0.005543 35O 3pz -0.045852 0.025091 0.010522 0.025487 -0.005889 0.001883 35O 3px -0.088535 0.025272 0.019709 -0.014435 -0.059219 0.025103 35O 3py 0.004597 -0.035927 -0.013096 0.041412 0.006491 0.024408 35O 1dz2 0.010857 -0.018755 -0.002866 -0.000027 -0.017035 -0.015418 35O 1dxz 0.000866 -0.011444 0.004758 0.003228 -0.002954 -0.001191 35O 1dyz -0.004284 0.005235 0.012196 -0.003671 0.011658 -0.004061 35O 1dx2y2 0.004060 -0.012906 0.008393 0.016297 -0.004215 -0.011228 35O 1dxy 0.001197 0.008360 -0.010289 0.004157 -0.006772 -0.008525 35O 2dz2 0.006150 0.006535 -0.002279 0.009837 0.009845 -0.010502 35O 2dxz -0.009090 0.004168 0.002369 -0.002833 -0.005495 -0.012510 35O 2dyz -0.006575 0.005419 0.003187 0.007562 0.000374 -0.002107 35O 2dx2y2 -0.009560 0.002585 -0.012325 -0.008870 -0.026178 0.013173 35O 2dxy -0.024594 -0.005456 0.011024 -0.003915 -0.005476 0.013934 35O 1f0 -0.371959 0.323750 -0.139235 -0.146141 -0.055396 0.034550 35O 1f+1 0.086707 -0.085245 0.013627 -0.015917 -0.105346 -0.153037 35O 1f-1 -0.047270 0.036927 -0.099413 0.151289 -0.024071 0.204142 35O 1f+2 -0.191019 0.129731 -0.090880 -0.084328 -0.058708 0.066592 35O 1f-2 -0.229823 0.192645 -0.020276 -0.082562 0.064584 0.046647 35O 1f+3 -0.041895 0.065860 -0.075955 0.004598 -0.029730 0.077455 35O 1f-3 -0.043062 0.027125 0.057232 -0.033843 0.103306 0.030901 624 625 626 627 628 629 5.17960 5.19137 5.20201 5.20323 5.20811 5.21931 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s -0.000041 -0.001703 0.000184 0.000265 0.000460 0.000811 0Rh 2s 0.000336 0.010134 -0.001127 -0.001592 -0.002698 -0.004666 0Rh 3s -0.000046 -0.004240 0.000438 0.000654 0.001168 0.002120 0Rh 4s -0.001985 -0.062453 0.006934 0.009839 0.016675 0.029108 0Rh 5s 0.004811 0.153793 -0.017151 -0.024471 -0.041155 -0.073973 0Rh 6s -0.004305 -0.137344 0.015514 0.022645 0.036890 0.077673 0Rh 7s -0.000364 0.084410 -0.009419 -0.013012 -0.016670 -0.319307 0Rh 8s -0.007255 -0.058996 0.024941 0.042417 0.070176 0.122164 0Rh 1pz -0.006574 0.005476 0.021767 -0.011637 0.004739 -0.006032 0Rh 1px 0.003004 -0.028349 0.007815 -0.002019 0.004841 0.025561 0Rh 1py -0.022473 0.002037 0.004934 0.015348 0.019743 0.012084 0Rh 2pz 0.026770 -0.022354 -0.088682 0.047483 -0.019294 0.024866 0Rh 2px -0.012306 0.116046 -0.031847 0.008184 -0.019826 -0.105130 0Rh 2py 0.091617 -0.008237 -0.020180 -0.062562 -0.080440 -0.049583 0Rh 3pz -0.077659 0.065285 0.257554 -0.139208 0.055865 -0.077816 0Rh 3px 0.037118 -0.346168 0.092527 -0.023135 0.059127 0.324319 0Rh 3py -0.267549 0.023026 0.060102 0.182263 0.233549 0.150656 0Rh 4pz 0.082063 -0.067706 -0.270532 0.150017 -0.058666 0.099701 0Rh 4px -0.043549 0.385669 -0.096741 0.023144 -0.065530 -0.401596 0Rh 4py 0.287319 -0.022701 -0.067696 -0.192746 -0.244420 -0.179095 0Rh 5pz -0.024574 0.010937 0.069494 -0.047221 0.015800 -0.070092 0Rh 5px 0.021814 -0.131980 0.023017 -0.004388 0.023319 0.251072 0Rh 5py -0.094257 0.007536 0.027103 0.051287 0.059346 0.088334 0Rh 6pz 0.010054 0.074588 0.112945 -0.005763 0.050928 0.198061 0Rh 6px -0.025002 -0.136621 0.041024 -0.028673 -0.041454 -0.453192 0Rh 6py 0.071466 -0.094928 -0.021852 0.072531 0.156711 0.238774 0Rh 1dz2 0.002363 -0.010482 -0.002836 -0.003490 0.006526 0.006242 0Rh 1dxz -0.002391 -0.009583 0.002906 0.001812 0.003720 0.004864 0Rh 1dyz 0.002834 -0.002880 -0.005758 -0.013235 0.010401 0.006191 0Rh 1dx2y2 0.000909 0.015233 -0.001498 -0.005405 -0.003628 -0.005347 0Rh 1dxy -0.007518 0.008919 -0.004467 -0.005752 0.003047 -0.005892 0Rh 2dz2 -0.000772 0.002292 0.001736 0.001803 -0.002136 -0.002729 0Rh 2dxz 0.000661 0.002494 -0.001664 -0.000194 -0.000889 -0.002162 0Rh 2dyz -0.001089 0.000523 0.003117 0.006354 -0.004390 -0.001511 0Rh 2dx2y2 -0.000519 -0.003672 0.000261 0.001930 0.000563 0.001584 0Rh 2dxy 0.002001 -0.002214 0.001371 0.001814 -0.002518 0.000597 0Rh 3dz2 -0.007348 0.037868 0.005023 0.007641 -0.020241 -0.016405 0Rh 3dxz 0.008019 0.032864 -0.005824 -0.007502 -0.013192 -0.012694 0Rh 3dyz -0.008049 0.010904 0.012009 0.031562 -0.027600 -0.021695 0Rh 3dx2y2 -0.001835 -0.053538 0.005711 0.016144 0.014321 0.017617 0Rh 3dxy 0.025686 -0.031130 0.014270 0.018098 -0.002366 0.024808 0Rh 4dz2 0.010123 -0.060934 -0.000260 -0.004694 0.027812 0.018855 0Rh 4dxz -0.012169 -0.051058 0.002983 0.013481 0.021232 0.014609 0Rh 4dyz 0.009579 -0.018573 -0.006375 -0.027041 0.029872 0.033322 0Rh 4dx2y2 0.001143 0.084518 -0.009584 -0.021476 -0.025386 -0.026578 0Rh 4dxy -0.040083 0.048668 -0.019839 -0.024870 -0.008914 -0.045685 0Rh 5dz2 -0.000687 0.051012 -0.028569 -0.004335 -0.024861 0.018174 0Rh 5dxz 0.009120 0.041633 0.034609 -0.023607 -0.014618 0.016730 0Rh 5dyz 0.008065 0.020008 -0.014682 -0.025272 -0.012899 -0.011143 0Rh 5dx2y2 0.003861 -0.068860 0.018194 0.004754 0.023607 0.001242 0Rh 5dxy 0.031724 -0.030016 0.014694 0.031329 0.056946 0.046319 0Rh 1f0 0.007000 -0.003911 0.005017 -0.008729 -0.004882 0.000806 0Rh 1f+1 0.001188 0.003112 0.002500 0.001109 -0.002170 0.001595 0Rh 1f-1 0.013928 -0.004572 -0.011943 -0.003953 -0.008527 0.004069 0Rh 1f+2 0.000738 0.001029 0.008633 -0.008696 -0.001067 0.005341 0Rh 1f-2 0.008390 -0.002673 0.000882 0.000380 -0.009335 0.003435 0Rh 1f+3 -0.002215 0.004415 -0.003705 0.003122 0.000828 0.003356 0Rh 1f-3 0.000909 0.003001 -0.000772 -0.002863 0.004541 0.001781 1Rh 1s -0.000037 0.001705 -0.000191 -0.000266 -0.000463 0.000810 1Rh 2s 0.000310 -0.010149 0.001171 0.001595 0.002718 -0.004671 1Rh 3s -0.000035 0.004246 -0.000456 -0.000654 -0.001177 0.002110 1Rh 4s -0.001825 0.062542 -0.007203 -0.009859 -0.016796 0.029128 1Rh 5s 0.004419 -0.154013 0.017832 0.024521 0.041457 -0.074042 1Rh 6s -0.003968 0.137557 -0.016225 -0.022700 -0.037179 0.077875 1Rh 7s -0.000487 -0.085095 0.011944 0.013928 0.017766 -0.320809 1Rh 8s -0.006840 0.059051 -0.025775 -0.043276 -0.070510 0.120213 1Rh 1pz 0.006536 0.005454 0.021666 -0.011691 0.004743 0.006175 1Rh 1px -0.003129 -0.028417 0.008011 -0.001945 0.004995 -0.025452 1Rh 1py 0.022618 0.001953 0.004986 0.015398 0.019795 -0.011878 1Rh 2pz -0.026615 -0.022264 -0.088267 0.047704 -0.019309 -0.025449 1Rh 2px 0.012819 0.116326 -0.032655 0.007879 -0.020455 0.104686 1Rh 2py -0.092210 -0.007895 -0.020393 -0.062770 -0.080652 0.048740 1Rh 3pz 0.077192 0.065036 0.256307 -0.139874 0.055887 0.079514 1Rh 3px -0.038652 -0.347023 0.095005 -0.022206 0.061043 -0.323049 1Rh 3py 0.269340 0.022015 0.060746 0.182912 0.234174 -0.148190 1Rh 4pz -0.081513 -0.067473 -0.269082 0.150801 -0.058627 -0.101478 1Rh 4px 0.045281 0.386697 -0.099768 0.022022 -0.067819 0.400334 1Rh 4py -0.289419 -0.021587 -0.068451 -0.193570 -0.245100 0.176456 1Rh 5pz 0.024278 0.010888 0.068750 -0.047643 0.015652 0.070323 1Rh 5px -0.022492 -0.132555 0.024855 -0.003711 0.024560 -0.250814 1Rh 5py 0.095280 0.007144 0.027426 0.051795 0.059568 -0.087579 1Rh 6pz -0.009219 0.077161 0.115341 -0.004557 0.051623 -0.192328 1Rh 6px 0.025345 -0.135217 0.037621 -0.030233 -0.043440 0.449624 1Rh 6py -0.072269 -0.095074 -0.019384 0.073228 0.158130 -0.235899 1Rh 1dz2 0.002425 0.010520 0.002828 0.003474 -0.006549 0.006250 1Rh 1dxz -0.002349 0.009673 -0.002918 -0.001818 -0.003768 0.004857 1Rh 1dyz 0.002881 0.003113 0.005740 0.013171 -0.010470 0.006528 1Rh 1dx2y2 0.000857 -0.015189 0.001523 0.005333 0.003608 -0.005161 1Rh 1dxy -0.007476 -0.008812 0.004478 0.005781 -0.003075 -0.005640 1Rh 2dz2 -0.000772 -0.002302 -0.001728 -0.001787 0.002139 -0.002728 1Rh 2dxz 0.000656 -0.002506 0.001672 0.000197 0.000896 -0.002157 1Rh 2dyz -0.001108 -0.000571 -0.003123 -0.006338 0.004405 -0.001539 1Rh 2dx2y2 -0.000502 0.003671 -0.000279 -0.001920 -0.000571 0.001570 1Rh 2dxy 0.001999 0.002192 -0.001381 -0.001814 0.002522 0.000582 1Rh 3dz2 -0.007639 -0.038002 -0.005020 -0.007634 0.020339 -0.016447 1Rh 3dxz 0.007846 -0.033230 0.005845 0.007513 0.013379 -0.012678 1Rh 3dyz -0.008181 -0.011764 -0.011896 -0.031343 0.027853 -0.023145 1Rh 3dx2y2 -0.001670 0.053342 -0.005740 -0.015859 -0.014188 0.016810 1Rh 3dxy 0.025496 0.030736 -0.014279 -0.018234 0.002475 0.023696 1Rh 4dz2 0.010679 0.061155 0.000282 0.004751 -0.027995 0.018990 1Rh 4dxz -0.011864 0.051708 -0.002985 -0.013490 -0.021557 0.014556 1Rh 4dyz 0.009767 0.020019 0.006106 0.026704 -0.030305 0.036153 1Rh 4dx2y2 0.000907 -0.084152 0.009551 0.020978 0.025099 -0.025013 1Rh 4dxy -0.039734 -0.048011 0.019809 0.025141 0.008719 -0.043526 1Rh 5dz2 -0.001638 -0.051367 0.028484 0.004018 0.025089 0.017422 1Rh 5dxz 0.008774 -0.042370 -0.034764 0.023570 0.014931 0.017224 1Rh 5dyz 0.007510 -0.021828 0.015315 0.025411 0.013417 -0.016619 1Rh 5dx2y2 0.003947 0.068334 -0.017810 -0.004180 -0.023119 -0.001582 1Rh 5dxy 0.031171 0.029209 -0.014409 -0.031715 -0.056652 0.042377 1Rh 1f0 -0.006969 -0.003890 0.004983 -0.008714 -0.004901 -0.000840 1Rh 1f+1 -0.001197 0.003108 0.002541 0.001115 -0.002184 -0.001679 1Rh 1f-1 -0.013917 -0.004468 -0.011889 -0.003912 -0.008546 -0.004028 1Rh 1f+2 -0.000733 0.000990 0.008684 -0.008656 -0.001017 -0.005223 1Rh 1f-2 -0.008417 -0.002702 0.000921 0.000401 -0.009343 -0.003577 1Rh 1f+3 0.002274 0.004441 -0.003635 0.003136 0.000836 -0.003296 1Rh 1f-3 -0.000950 0.003023 -0.000782 -0.002837 0.004565 -0.001662 2C 1s 0.000206 0.000138 -0.001362 0.000182 -0.001609 -0.002323 2C 2s 0.000214 -0.000246 -0.003918 0.000135 -0.003586 -0.003994 2C 3s 0.014925 0.070778 0.219744 0.006983 0.137705 0.045712 2C 4s -0.077192 -0.348418 -0.824422 -0.051666 -0.463443 0.049733 2C 5s -0.027049 -0.130371 -0.280664 0.056320 -0.214722 -0.176135 2C 1pz 0.010828 0.018913 0.051740 0.001142 0.026107 0.023503 2C 1px -0.017934 -0.013869 0.010145 -0.013150 0.024592 0.009484 2C 1py -0.003435 0.005791 0.028162 0.000644 0.027875 0.017120 2C 2pz -0.107580 -0.243923 -0.400383 -0.056908 -0.193668 0.052880 2C 2px 0.177072 0.113115 -0.136491 0.120033 -0.288365 -0.073246 2C 2py 0.066656 -0.079539 -0.220705 0.007865 -0.186213 0.071006 2C 3pz -0.030518 -0.055461 -0.138717 -0.015368 -0.075123 -0.066339 2C 3px 0.067819 0.018470 -0.005475 0.055090 -0.084530 -0.033272 2C 3py 0.002436 -0.027275 -0.082114 0.019114 -0.057449 -0.049429 2C 1dz2 0.019334 0.010125 -0.003011 0.016746 -0.002494 0.020346 2C 1dxz -0.026195 -0.022622 -0.005859 -0.009243 0.026870 0.015437 2C 1dyz 0.006395 -0.001214 0.002897 -0.004602 -0.010170 0.019437 2C 1dx2y2 0.001675 0.006184 -0.001643 0.006453 0.009121 0.000747 2C 1dxy -0.020746 -0.017771 -0.001448 -0.013111 0.013446 0.003988 2C 2dz2 -0.068126 -0.087207 -0.127267 -0.022808 0.019958 0.032620 2C 2dxz 0.084149 0.052982 0.045123 0.074675 -0.014684 0.051306 2C 2dyz 0.023625 -0.050866 -0.177706 -0.004763 -0.161152 -0.033070 2C 2dx2y2 0.069174 0.063800 -0.015675 0.057772 -0.030874 -0.017865 2C 2dxy 0.033358 0.028328 -0.004242 0.025561 -0.107314 -0.044808 2C 1f0 -0.005595 -0.005256 -0.044651 0.017971 0.024402 0.021586 2C 1f+1 0.004013 0.000141 -0.027467 0.012960 -0.017659 -0.007266 2C 1f-1 -0.005867 -0.017436 -0.037329 -0.004235 -0.013944 0.000521 2C 1f+2 0.007875 0.015456 0.042469 0.021717 0.044981 0.016787 2C 1f-2 0.005772 0.003107 -0.017310 0.012638 -0.014084 0.009011 2C 1f+3 0.013877 0.010837 0.024290 0.010061 0.002996 0.014271 2C 1f-3 -0.002087 -0.005788 -0.015017 -0.011540 -0.025764 -0.014428 3C 1s -0.000262 0.000661 -0.001113 0.001027 0.001031 -0.001215 3C 2s -0.000254 0.001726 -0.002615 0.003319 0.002416 -0.002713 3C 3s -0.011421 -0.076560 0.111998 -0.199781 -0.122669 0.068066 3C 4s 0.073854 0.258675 -0.410482 0.782899 0.441309 -0.130670 3C 5s -0.028235 -0.010029 -0.130141 0.223073 0.309679 -0.307346 3C 1pz -0.007249 0.000349 0.013465 -0.026864 -0.009541 0.009037 3C 1px 0.012673 -0.024684 0.020777 -0.001352 -0.018534 0.009675 3C 1py 0.002041 0.014991 -0.021834 0.047587 0.032832 -0.022330 3C 2pz 0.083104 -0.040530 -0.061103 0.182310 0.034180 0.026450 3C 2px -0.102628 0.238513 -0.213767 0.010235 0.177443 -0.018419 3C 2py -0.032152 -0.093239 0.228354 -0.445771 -0.245948 0.039393 3C 3pz 0.016647 0.007951 -0.011981 0.081206 0.038590 -0.058780 3C 3px -0.049644 0.039839 -0.056519 -0.013278 0.088672 -0.034820 3C 3py -0.006679 -0.016091 0.063459 -0.125228 -0.095670 0.109786 3C 1dz2 -0.006572 0.006759 -0.014565 -0.002971 0.000597 -0.001509 3C 1dxz 0.014799 -0.019041 0.000290 0.014878 -0.007275 0.005576 3C 1dyz 0.009665 -0.010880 0.019277 0.003474 -0.000654 -0.008894 3C 1dx2y2 0.011798 -0.015225 0.000257 0.011711 -0.010018 -0.003876 3C 1dxy -0.017157 0.021220 -0.011873 -0.015794 0.009368 -0.008171 3C 2dz2 0.041354 -0.050962 0.030936 -0.016505 -0.063126 0.016971 3C 2dxz -0.017179 -0.020658 -0.029560 0.014183 -0.000181 0.013071 3C 2dyz -0.027180 -0.044303 0.135112 -0.214138 -0.089543 0.037881 3C 2dx2y2 -0.062027 0.042213 -0.042567 -0.102491 -0.014410 -0.005937 3C 2dxy 0.061473 -0.096661 0.069749 0.050605 -0.074541 -0.001719 3C 1f0 0.004146 -0.001077 -0.006971 0.008800 -0.004211 -0.006193 3C 1f+1 0.002142 0.004874 -0.026789 0.024105 0.004976 0.002161 3C 1f-1 -0.008622 0.017261 0.033399 -0.012931 0.021917 -0.005293 3C 1f+2 -0.014634 -0.008098 0.010903 -0.053564 -0.015887 0.017560 3C 1f-2 0.002631 -0.021105 0.036631 -0.033410 -0.020759 0.005446 3C 1f+3 -0.005679 0.013276 -0.015320 0.017797 0.020720 -0.008491 3C 1f-3 -0.008674 -0.009385 -0.002569 -0.037453 -0.019622 0.009000 4C 1s 0.000363 0.000265 -0.001505 0.000286 -0.001413 -0.000638 4C 2s 0.000602 0.001302 -0.000814 0.000553 -0.001089 -0.001143 4C 3s -0.001573 -0.110822 -0.344538 -0.000109 -0.261514 -0.114207 4C 4s 0.004499 0.502216 1.705052 -0.012126 1.296737 0.674280 4C 5s 0.023294 0.118398 0.427938 -0.022432 0.364302 0.254656 4C 1pz -0.004004 0.002969 -0.011895 0.003289 -0.005708 -0.020984 4C 1px 0.007495 0.003196 -0.009686 0.003595 -0.006501 -0.003980 4C 1py 0.003949 0.003760 -0.003548 -0.003035 -0.014000 -0.019788 4C 2pz -0.098798 -0.187177 -0.166571 -0.180462 0.143013 0.269835 4C 2px 0.204663 0.174807 0.290701 0.402746 -0.450287 -0.083046 4C 2py 0.009160 -0.043284 -0.008504 0.074205 -0.040819 0.155660 4C 3pz 0.029222 -0.071551 -0.134860 0.053918 -0.119423 -0.054817 4C 3px -0.097196 -0.007061 -0.071443 -0.130699 0.080675 0.078570 4C 3py -0.019894 -0.051837 -0.121914 -0.014055 -0.038312 0.001241 4C 1dz2 -0.000048 -0.001830 -0.014747 -0.004365 0.004972 -0.001513 4C 1dxz -0.006843 -0.012928 -0.004049 0.012168 -0.013995 0.004672 4C 1dyz -0.000125 -0.000112 0.017361 -0.002646 0.007337 0.008968 4C 1dx2y2 0.002727 0.010929 0.027136 0.003085 0.025091 0.027378 4C 1dxy -0.009167 -0.001384 0.026577 0.006571 0.009967 -0.006646 4C 2dz2 -0.115397 -0.065382 -0.097617 -0.094194 0.187453 -0.039222 4C 2dxz 0.224798 0.201729 0.055288 0.266012 -0.358901 -0.186300 4C 2dyz -0.007729 0.075881 0.176394 -0.021413 0.102204 -0.058864 4C 2dx2y2 -0.020807 0.014057 0.159023 0.020093 0.164416 0.163866 4C 2dxy 0.182728 0.180888 0.233296 0.186056 -0.109071 0.017371 4C 1f0 -0.002134 -0.019458 -0.015675 -0.021872 -0.058880 -0.026176 4C 1f+1 0.007264 -0.013833 -0.081637 -0.007048 -0.077789 -0.043828 4C 1f-1 -0.006576 -0.017547 -0.023136 -0.016515 0.000788 0.030294 4C 1f+2 -0.013622 0.012126 0.066590 -0.042837 0.053749 0.011125 4C 1f-2 0.024662 0.012379 0.016002 0.013500 -0.029195 0.009373 4C 1f+3 -0.018375 0.001333 -0.007787 -0.019509 0.032800 0.037042 4C 1f-3 -0.025330 -0.025224 -0.094226 -0.017513 -0.022133 -0.015805 5C 1s -0.000295 0.000945 -0.000881 0.000955 0.000929 -0.000873 5C 2s -0.000558 0.001120 -0.000266 -0.000062 0.000412 -0.000917 5C 3s -0.001216 0.116740 -0.216503 0.297568 0.222417 -0.148853 5C 4s 0.016815 -0.600930 1.053778 -1.455465 -1.086287 0.827034 5C 5s 0.017651 -0.045245 0.255861 -0.348248 -0.380040 0.157209 5C 1pz 0.003584 -0.003158 -0.008568 0.003576 -0.000480 -0.003447 5C 1px -0.004952 0.006846 -0.002418 -0.000362 0.004530 -0.012128 5C 1py 0.003267 -0.005818 0.002739 -0.008021 -0.012292 0.017322 5C 2pz 0.080181 -0.042009 0.112703 0.238119 -0.081951 0.038699 5C 2px -0.170634 0.148427 -0.297155 -0.479400 0.320572 0.235701 5C 2py -0.090410 0.040456 -0.011215 -0.230254 0.061099 -0.142467 5C 3pz -0.034188 0.015220 -0.047734 0.053746 0.131549 -0.143672 5C 3px 0.070383 -0.007894 0.032172 0.160181 -0.073862 -0.156219 5C 3py 0.026508 -0.024276 0.062322 -0.115313 -0.143526 0.242834 5C 1dz2 0.001485 0.010172 -0.017569 0.022782 0.009695 -0.005798 5C 1dxz -0.001037 0.000307 -0.012279 0.005513 0.012961 -0.017311 5C 1dyz -0.000229 0.005344 -0.008921 0.011094 0.016860 -0.018812 5C 1dx2y2 0.005096 -0.016593 0.010747 -0.021635 -0.011157 0.016164 5C 1dxy -0.005612 0.010399 0.008831 0.012179 -0.013353 -0.016231 5C 2dz2 0.054254 -0.024967 -0.073946 0.236385 0.008856 -0.089752 5C 2dxz -0.090897 0.132065 -0.165812 -0.117542 0.134002 -0.047226 5C 2dyz -0.081948 0.154141 -0.186158 0.031914 0.216836 0.004878 5C 2dx2y2 -0.072183 0.038446 -0.059928 -0.249745 -0.007188 0.181030 5C 2dxy 0.204977 -0.180689 0.155593 0.355563 -0.152953 -0.004714 5C 1f0 -0.011857 0.010707 -0.024307 -0.000617 0.036759 -0.017858 5C 1f+1 0.010508 0.015871 -0.010995 0.074697 0.032229 -0.033056 5C 1f-1 -0.002847 -0.009169 -0.044052 -0.011034 -0.017302 0.018245 5C 1f+2 0.000437 0.006430 0.011986 0.001192 -0.009856 -0.012493 5C 1f-2 0.031885 -0.039204 0.049168 -0.015510 -0.072822 0.004057 5C 1f+3 0.013057 0.026537 -0.037754 0.075583 0.022445 -0.039566 5C 1f-3 -0.007242 -0.012034 0.056597 -0.071620 -0.038630 0.021791 6C 1s -0.000318 -0.000985 0.000892 -0.000942 -0.000922 -0.000883 6C 2s -0.000601 -0.001184 0.000288 0.000087 -0.000399 -0.000917 6C 3s -0.001692 -0.117875 0.216989 -0.297409 -0.222267 -0.152240 6C 4s 0.020416 0.608359 -1.057374 1.454037 1.084809 0.843789 6C 5s 0.017580 0.047408 -0.258515 0.347890 0.380418 0.159382 6C 1pz -0.003517 -0.002965 -0.008646 0.003509 -0.000586 0.003382 6C 1px 0.005151 0.006978 -0.002591 -0.000416 0.004546 0.012438 6C 1py -0.003388 -0.006045 0.002921 -0.007882 -0.012257 -0.017453 6C 2pz -0.080569 -0.046041 0.113624 0.239675 -0.081360 -0.034539 6C 2px 0.166669 0.145686 -0.294411 -0.477025 0.321501 -0.252304 6C 2py 0.091785 0.047048 -0.013449 -0.232788 0.060326 0.141806 6C 3pz 0.034356 0.013226 -0.047509 0.053454 0.131753 0.143651 6C 3px -0.069918 -0.008296 0.031723 0.159393 -0.074554 0.154429 6C 3py -0.026564 -0.021600 0.061860 -0.114928 -0.143976 -0.241321 6C 1dz2 0.001320 -0.010567 0.017567 -0.022678 -0.009527 -0.006192 6C 1dxz -0.001116 -0.000435 0.012367 -0.005335 -0.012863 -0.017147 6C 1dyz -0.000231 -0.005553 0.008983 -0.011033 -0.016835 -0.018789 6C 1dx2y2 0.005155 0.016914 -0.010869 0.021669 0.011215 0.016772 6C 1dxy -0.005961 -0.010282 -0.008659 -0.012190 0.013343 -0.016971 6C 2dz2 0.053329 0.023808 0.074741 -0.235765 -0.008384 -0.093107 6C 2dxz -0.091436 -0.134308 0.166186 0.117847 -0.133837 -0.045536 6C 2dyz -0.081498 -0.153539 0.185519 -0.032486 -0.217324 0.006231 6C 2dx2y2 -0.070264 -0.034968 0.057707 0.247859 0.006570 0.187038 6C 2dxy 0.205197 0.182050 -0.155791 -0.356093 0.152948 -0.010082 6C 1f0 0.011996 0.010856 -0.024508 -0.000663 0.036696 0.017410 6C 1f+1 -0.010225 0.016186 -0.011277 0.074549 0.032222 0.034556 6C 1f-1 0.002914 -0.009012 -0.043948 -0.011060 -0.017489 -0.018834 6C 1f+2 -0.000427 0.006565 0.011728 0.001208 -0.009909 0.012831 6C 1f-2 -0.031724 -0.039391 0.049095 -0.015679 -0.072954 -0.003628 6C 1f+3 -0.012547 0.026878 -0.037885 0.075363 0.022286 0.040828 6C 1f-3 0.007036 -0.012360 0.056721 -0.071577 -0.038506 -0.022173 7C 1s 0.000378 -0.000252 0.001501 -0.000295 0.001423 -0.000611 7C 2s 0.000629 -0.001284 0.000798 -0.000569 0.001103 -0.001094 7C 3s -0.001466 0.110813 0.345686 0.000837 0.263292 -0.113801 7C 4s 0.003280 -0.502953 -1.710884 0.008573 -1.305866 0.671332 7C 5s 0.023577 -0.121076 -0.427677 0.021162 -0.367994 0.251036 7C 1pz 0.003939 0.002875 -0.011794 0.003179 -0.005773 0.020820 7C 1px -0.007544 0.003122 -0.009706 0.003552 -0.006659 0.003643 7C 1py -0.003940 0.003722 -0.003502 -0.003156 -0.014071 0.019699 7C 2pz 0.098386 -0.183720 -0.167610 -0.180339 0.143590 -0.272610 7C 2px -0.200687 0.177621 0.291090 0.403131 -0.449918 0.096897 7C 2py -0.007774 -0.041088 -0.010492 0.074279 -0.040919 -0.152883 7C 3pz -0.028210 -0.070052 -0.137616 0.052957 -0.121585 0.054427 7C 3px 0.096980 -0.005896 -0.070634 -0.130522 0.081484 -0.078151 7C 3py 0.020427 -0.050726 -0.123335 -0.014556 -0.039555 -0.001296 7C 1dz2 0.000056 0.002078 0.015199 0.004351 -0.004640 -0.001431 7C 1dxz -0.006931 0.013184 0.004140 -0.012218 0.013994 0.003914 7C 1dyz -0.000348 0.000031 -0.017743 0.002643 -0.007680 0.009013 7C 1dx2y2 0.002760 -0.011021 -0.026893 -0.003262 -0.025191 0.027368 7C 1dxy -0.009099 0.001103 -0.026620 -0.006607 -0.010033 -0.007342 7C 2dz2 -0.113634 0.067114 0.098289 0.093905 -0.186370 -0.036630 7C 2dxz 0.223449 -0.202130 -0.055048 -0.265851 0.360602 -0.189190 7C 2dyz -0.007519 -0.075196 -0.177509 0.021406 -0.103559 -0.058392 7C 2dx2y2 -0.021950 -0.014635 -0.158174 -0.020083 -0.165441 0.162428 7C 2dxy 0.181363 -0.181516 -0.233416 -0.186902 0.109031 0.014152 7C 1f0 0.002278 -0.019403 -0.015234 -0.021945 -0.058781 0.026044 7C 1f+1 -0.007280 -0.013823 -0.081705 -0.007303 -0.077813 0.043372 7C 1f-1 0.006396 -0.017554 -0.023165 -0.016623 0.000605 -0.030447 7C 1f+2 0.013551 0.012319 0.066952 -0.042869 0.054270 -0.011599 7C 1f-2 -0.024392 0.012663 0.016114 0.013569 -0.029432 -0.008791 7C 1f+3 0.018176 0.001373 -0.007712 -0.019353 0.032756 -0.037668 7C 1f-3 0.025129 -0.025486 -0.094457 -0.017585 -0.022533 0.014629 8C 1s -0.000282 -0.000677 0.001128 -0.001018 -0.001030 -0.001213 8C 2s -0.000288 -0.001745 0.002639 -0.003311 -0.002413 -0.002726 8C 3s -0.011138 0.075832 -0.112077 0.200332 0.122550 0.069594 8C 4s 0.074798 -0.252683 0.408702 -0.786562 -0.441329 -0.136068 8C 5s -0.027888 0.012223 0.131797 -0.221900 -0.310605 -0.304270 8C 1pz 0.007259 0.000405 0.013538 -0.026953 -0.009530 -0.009150 8C 1px -0.012824 -0.024716 0.020887 -0.001466 -0.018593 -0.009792 8C 1py -0.001917 0.014848 -0.021979 0.047581 0.032783 0.022578 8C 2pz -0.085122 -0.041986 -0.060294 0.184483 0.035305 -0.025834 8C 2px 0.103555 0.238295 -0.214316 0.013124 0.178949 0.018919 8C 2py 0.032371 -0.089178 0.226673 -0.446002 -0.245656 -0.040349 8C 3pz -0.016710 0.007486 -0.012305 0.081222 0.038693 0.058500 8C 3px 0.049745 0.039781 -0.056594 -0.013268 0.089117 0.035330 8C 3py 0.006535 -0.015544 0.063963 -0.125022 -0.095447 -0.109721 8C 1dz2 -0.006657 -0.006691 0.014569 0.002980 -0.000498 -0.001459 8C 1dxz 0.014796 0.019071 -0.000300 -0.014796 0.007348 0.005711 8C 1dyz 0.009801 0.010869 -0.019070 -0.003538 0.000642 -0.008940 8C 1dx2y2 0.011671 0.015166 -0.000163 -0.011499 0.010200 -0.003757 8C 1dxy -0.017370 -0.021373 0.012049 0.015783 -0.009337 -0.008274 8C 2dz2 0.042081 0.051642 -0.031611 0.015932 0.063558 0.017185 8C 2dxz -0.017053 0.021436 0.029614 -0.013825 0.000482 0.013790 8C 2dyz -0.026246 0.043988 -0.135149 0.213888 0.089397 0.038616 8C 2dx2y2 -0.063256 -0.043392 0.042591 0.104271 0.015042 -0.005253 8C 2dxy 0.060853 0.095376 -0.068588 -0.050116 0.074598 -0.002327 8C 1f0 -0.003927 -0.000979 -0.007089 0.008762 -0.004330 0.006241 8C 1f+1 -0.001931 0.004668 -0.026554 0.023660 0.004641 -0.002381 8C 1f-1 0.008267 0.017110 0.033423 -0.012760 0.022161 0.005592 8C 1f+2 0.014552 -0.007923 0.011039 -0.053705 -0.015741 -0.018117 8C 1f-2 -0.002635 -0.020937 0.036501 -0.033768 -0.020739 -0.005741 8C 1f+3 0.005802 0.012984 -0.015284 0.017593 0.020598 0.008395 8C 1f-3 0.008622 -0.009450 -0.002491 -0.037796 -0.019882 -0.009494 9C 1s 0.000213 -0.000148 0.001358 -0.000177 0.001621 -0.002311 9C 2s 0.000229 0.000219 0.003924 -0.000122 0.003612 -0.003965 9C 3s 0.014773 -0.069857 -0.220560 -0.007755 -0.138828 0.044949 9C 4s -0.077532 0.344189 0.828446 0.054133 0.466808 0.051193 9C 5s -0.028778 0.130723 0.281615 -0.054649 0.219161 -0.176126 9C 1pz -0.010754 0.018668 0.051631 0.001374 0.026328 -0.023258 9C 1px 0.017852 -0.014033 0.010068 -0.013089 0.024743 -0.009363 9C 1py 0.003456 0.005756 0.028597 0.000780 0.028304 -0.017191 9C 2pz 0.107640 -0.239935 -0.398183 -0.057190 -0.192791 -0.054078 9C 2px -0.174902 0.114941 -0.135787 0.119148 -0.289772 0.073113 9C 2py -0.066059 -0.080439 -0.229097 0.007996 -0.190236 -0.068447 9C 3pz 0.030880 -0.055249 -0.138772 -0.016231 -0.075771 0.065773 9C 3px -0.067660 0.018654 -0.005745 0.055083 -0.085176 0.032706 9C 3py -0.002448 -0.027207 -0.083286 0.018675 -0.059119 0.049229 9C 1dz2 0.019250 -0.010076 0.003569 -0.016948 0.002631 0.020033 9C 1dxz -0.026133 0.022980 0.006154 0.009148 -0.026963 0.015065 9C 1dyz 0.006357 0.001029 -0.002965 0.004291 0.009812 0.019706 9C 1dx2y2 0.001761 -0.006105 0.001993 -0.006574 -0.009074 0.000681 9C 1dxy -0.020517 0.017622 0.001303 0.013026 -0.013630 0.004040 9C 2dz2 -0.067946 0.086595 0.128282 0.022722 -0.018967 0.031432 9C 2dxz 0.083007 -0.051783 -0.043744 -0.074553 0.013821 0.050738 9C 2dyz 0.023301 0.050016 0.178512 0.004896 0.160782 -0.031758 9C 2dx2y2 0.069148 -0.063390 0.016577 -0.058220 0.030229 -0.017200 9C 2dxy 0.035563 -0.031953 0.001867 -0.026784 0.108798 -0.043668 9C 1f0 0.005591 -0.005548 -0.045641 0.018147 0.024034 -0.021171 9C 1f+1 -0.004241 0.000466 -0.027685 0.012945 -0.017765 0.007165 9C 1f-1 0.005685 -0.017123 -0.037518 -0.004118 -0.013954 -0.000692 9C 1f+2 -0.008230 0.015347 0.042768 0.021997 0.044858 -0.015970 9C 1f-2 -0.005901 0.003100 -0.017319 0.012706 -0.014083 -0.009119 9C 1f+3 -0.013677 0.010559 0.023872 0.010445 0.003258 -0.014200 9C 1f-3 0.001888 -0.005205 -0.013907 -0.011469 -0.025331 0.013764 10H 1s -0.005301 -0.005120 0.037627 -0.000310 0.030451 0.011237 10H 2s -0.077696 -0.044867 0.151068 -0.043701 0.167146 0.096321 10H 3s -0.005475 0.003632 -0.038123 -0.016484 -0.006779 -0.017224 10H 1pz -0.034816 -0.023366 0.025716 -0.018631 0.043465 0.014450 10H 1px 0.008615 0.005361 -0.045621 0.004204 -0.036002 -0.022031 10H 1py -0.013035 -0.010692 0.011352 -0.007410 0.026638 0.012918 11H 1s -0.000678 -0.003206 -0.006372 -0.004670 -0.025422 -0.027707 11H 2s 0.008395 0.026932 -0.001441 -0.013950 -0.096669 -0.055838 11H 3s 0.015020 0.004247 -0.003133 -0.002941 -0.002061 0.005369 11H 1pz 0.006379 0.014432 0.022341 -0.001530 -0.014579 -0.008765 11H 1px 0.008317 0.007498 -0.004380 0.000055 -0.028366 -0.017926 11H 1py 0.006332 0.006088 0.002725 0.007865 0.010042 0.009064 12H 1s 0.014265 0.007789 -0.001162 0.015043 0.004006 0.006863 12H 2s 0.120746 0.083410 0.023243 0.055881 -0.019957 0.049183 12H 3s -0.007661 -0.006489 -0.003978 -0.003651 -0.001696 -0.008170 12H 1pz 0.010711 0.010322 0.006630 0.004365 -0.006455 -0.007931 12H 1px 0.020463 0.013440 -0.006894 0.011252 -0.016377 -0.003202 12H 1py 0.042858 0.032530 0.022959 0.022261 0.001885 0.020487 13H 1s 0.000167 -0.026008 0.024880 -0.027554 -0.016837 0.008232 13H 2s 0.039569 -0.140545 0.108606 -0.066147 -0.107330 0.067228 13H 3s 0.010538 0.031621 -0.006683 0.032248 -0.012762 -0.013016 13H 1pz 0.016289 -0.042086 0.033409 -0.019257 -0.029935 0.017921 13H 1px 0.000440 0.021177 -0.014829 0.022477 0.016478 -0.010700 13H 1py -0.015805 0.034434 -0.020470 -0.008363 0.017942 -0.007216 14H 1s -0.002557 0.004491 0.007602 -0.016385 0.005143 0.004445 14H 2s -0.018092 0.051646 0.008903 -0.119160 -0.022053 0.031182 14H 3s -0.005479 0.009432 -0.007977 0.018616 0.005833 -0.006992 14H 1pz -0.007061 0.005124 0.011787 -0.041075 -0.012553 0.009439 14H 1px -0.011793 0.020440 -0.002930 -0.035653 0.000495 0.007261 14H 1py 0.008197 -0.011644 0.005184 0.011732 -0.002116 0.006872 15H 1s -0.004023 0.004061 -0.024453 0.016047 0.009760 -0.004950 15H 2s -0.043536 0.040413 -0.091174 0.038089 0.024315 -0.008646 15H 3s 0.007015 0.002492 -0.001465 -0.001093 -0.008702 -0.003664 15H 1pz 0.002784 -0.004870 0.022620 -0.016397 -0.005790 0.000734 15H 1px -0.003391 0.008853 -0.009632 -0.000165 0.005795 -0.001561 15H 1py 0.016417 -0.005271 0.018932 0.007612 0.001873 -0.002907 16H 1s -0.001851 0.009943 0.000290 0.003615 -0.001612 0.005829 16H 2s -0.001831 0.067718 -0.044196 -0.031386 -0.041921 -0.240618 16H 3s 0.005531 0.013026 -0.012850 -0.004016 -0.005078 0.004436 16H 1pz -0.003129 0.046353 -0.018122 -0.010489 -0.018906 -0.102237 16H 1px -0.001236 0.032014 0.005662 -0.004158 -0.000973 -0.062892 16H 1py 0.001670 -0.019932 -0.002204 0.002439 0.002758 0.050392 17H 1s -0.000800 0.005597 0.001030 -0.003271 0.001280 0.009386 17H 2s -0.003956 0.068329 0.008730 -0.025903 -0.051632 -0.233813 17H 3s 0.004227 0.009921 0.004808 -0.005041 -0.008677 0.007168 17H 1pz 0.004522 -0.059943 0.001174 0.009942 0.018569 0.129745 17H 1px 0.000363 -0.001204 -0.006854 0.010409 0.011447 0.010941 17H 1py 0.001055 -0.012911 0.003719 0.000232 -0.001342 0.031972 18H 1s -0.000755 -0.005574 -0.001369 0.003136 -0.001320 0.009682 18H 2s -0.004153 -0.069110 -0.006174 0.026849 0.052004 -0.234217 18H 3s 0.004020 -0.010083 -0.004968 0.005081 0.008463 0.006961 18H 1pz -0.004691 -0.059920 0.001938 0.010514 0.019270 -0.129063 18H 1px -0.000262 -0.000948 -0.006814 0.010403 0.011126 -0.010173 18H 1py -0.001210 -0.014190 0.003703 0.000804 -0.000454 -0.035025 19H 1s -0.001971 -0.010041 -0.000346 -0.003634 0.001730 0.005642 19H 2s -0.001671 -0.067121 0.046478 0.032320 0.042834 -0.239086 19H 3s 0.005637 -0.012788 0.012706 0.004223 0.005152 0.004669 19H 1pz 0.003186 0.046787 -0.018788 -0.010990 -0.019462 0.103140 19H 1px 0.001369 0.032292 0.005375 -0.004243 -0.001184 0.063164 19H 1py -0.001600 -0.018761 -0.002594 0.002441 0.002489 -0.047795 20H 1s -0.004398 -0.004036 0.024482 -0.015621 -0.009532 -0.004773 20H 2s -0.045657 -0.040988 0.091173 -0.036042 -0.023588 -0.007823 20H 3s 0.007094 -0.002782 0.001362 0.000846 0.008751 -0.004448 20H 1pz -0.003123 -0.004763 0.022500 -0.016050 -0.005573 -0.000565 20H 1px 0.003759 0.009131 -0.009993 -0.000091 0.005927 0.001592 20H 1py -0.017032 -0.005510 0.018883 0.008382 0.002070 0.003355 21H 1s -0.002393 -0.004659 -0.007427 0.015892 -0.005576 0.004392 21H 2s -0.017806 -0.052514 -0.008889 0.117039 0.020606 0.031213 21H 3s -0.005590 -0.009486 0.007777 -0.018394 -0.005595 -0.007631 21H 1pz 0.006879 0.005290 0.011894 -0.040903 -0.012296 -0.009663 21H 1px 0.011747 0.020723 -0.003035 -0.034901 0.000996 -0.007238 21H 1py -0.008262 -0.011506 0.005086 0.011780 -0.001935 -0.006826 22H 1s 0.000472 0.026210 -0.024933 0.027805 0.016871 0.008675 22H 2s 0.041159 0.141126 -0.109590 0.066798 0.107438 0.068800 22H 3s 0.010137 -0.031614 0.006847 -0.032543 0.013099 -0.013536 22H 1pz -0.016738 -0.041914 0.033408 -0.019105 -0.029684 -0.018228 22H 1px -0.000234 0.021360 -0.015116 0.022952 0.016617 0.011234 22H 1py 0.016086 0.034727 -0.020721 -0.008032 0.018188 0.007501 23H 1s 0.013986 -0.007228 0.002372 -0.015156 -0.003477 0.006121 23H 2s 0.119424 -0.081031 -0.017985 -0.056461 0.020668 0.047216 23H 3s -0.007321 0.005825 0.003543 0.003754 0.001516 -0.007368 23H 1pz -0.010467 0.010190 0.007036 0.004091 -0.006079 0.007689 23H 1px -0.019687 0.012884 -0.007609 0.011013 -0.016518 0.003664 23H 1py -0.042615 0.031802 0.021235 0.022647 0.001638 -0.019810 24H 1s -0.000686 0.002632 0.005196 0.004793 0.025121 -0.027378 24H 2s 0.008901 -0.030394 -0.003612 0.013390 0.095571 -0.053365 24H 3s 0.015252 -0.003833 0.004211 0.002751 0.001929 0.005186 24H 1pz -0.006586 0.015351 0.023704 -0.001219 -0.014242 0.008096 24H 1px -0.008372 0.008226 -0.003408 0.000081 -0.028536 0.017755 24H 1py -0.006423 0.005817 0.001872 0.007868 0.009124 -0.008477 25H 1s -0.005157 0.005307 -0.037886 0.000217 -0.030560 0.011008 25H 2s -0.076836 0.045334 -0.151296 0.042578 -0.168778 0.095268 25H 3s -0.005491 -0.003860 0.038181 0.016962 0.006587 -0.016804 25H 1pz 0.034637 -0.023517 0.026330 -0.018483 0.044134 -0.014350 25H 1px -0.008348 0.005479 -0.045585 0.003818 -0.036286 0.021729 25H 1py 0.012961 -0.011054 0.010285 -0.007315 0.026275 -0.012272 26O 1s -0.001389 -0.001417 0.000065 -0.000140 0.000568 -0.000363 26O 2s -0.005402 -0.005519 -0.002552 -0.002058 0.002018 -0.001744 26O 3s 0.073367 0.078101 0.100983 0.053166 -0.011233 0.032324 26O 4s -0.278525 -0.269532 -0.480504 -0.268547 0.048188 -0.117712 26O 5s 0.042081 -0.169353 -0.411064 -0.077224 -0.085140 -0.185194 26O 1pz 0.017810 0.016522 -0.013611 -0.007424 -0.010005 -0.003691 26O 1px -0.007210 -0.012439 -0.021187 -0.023638 0.018628 -0.001104 26O 1py 0.006003 0.010185 -0.016844 -0.011321 0.000868 -0.004088 26O 2pz -0.060217 -0.057924 0.063739 0.012690 0.050719 0.029340 26O 2px 0.112412 0.141265 0.328032 0.182310 -0.039526 0.057115 26O 2py 0.008418 0.005645 0.158826 0.077540 0.020859 0.035984 26O 3pz 0.022347 0.014695 0.010676 -0.037701 0.094146 0.088953 26O 3px 0.043797 0.099949 0.221114 0.073793 0.066117 0.209884 26O 3py 0.003417 0.064108 0.109840 -0.015371 0.058607 0.092282 26O 1dz2 -0.000679 0.001818 -0.018586 0.015677 -0.018569 -0.005065 26O 1dxz -0.007373 -0.000940 0.000848 0.009100 0.006950 0.010181 26O 1dyz 0.014895 0.009849 -0.004949 0.015833 -0.033342 -0.019748 26O 1dx2y2 0.000449 0.008307 0.010642 0.007474 0.016740 0.015500 26O 1dxy 0.009994 0.009089 0.018058 0.004951 -0.004850 -0.005207 26O 2dz2 0.015318 0.022000 0.065701 0.028968 0.004825 0.016113 26O 2dxz 0.015498 0.014101 -0.008245 0.007748 -0.017428 -0.007501 26O 2dyz 0.005163 0.005260 0.001126 0.007912 -0.010574 -0.004752 26O 2dx2y2 -0.026698 -0.036700 -0.078693 -0.036897 -0.000735 -0.019285 26O 2dxy -0.007973 -0.018681 -0.074344 -0.025441 -0.015535 -0.015145 26O 1f0 -0.116541 -0.018023 -0.089536 0.084181 0.127601 0.041453 26O 1f+1 -0.095224 -0.090323 0.070628 -0.075717 0.217780 0.081757 26O 1f-1 0.274069 0.172503 -0.217532 0.164613 -0.447781 -0.230838 26O 1f+2 0.026393 0.072721 -0.011085 0.093055 -0.004850 -0.006469 26O 1f-2 -0.094238 -0.022092 -0.009605 0.014301 0.096527 0.054982 26O 1f+3 0.090285 0.083664 -0.034610 0.077673 -0.113486 -0.020620 26O 1f-3 -0.043006 -0.000983 0.074992 -0.019749 0.040176 0.043017 27O 1s 0.001224 -0.001561 0.000071 0.000511 0.000195 -0.000373 27O 2s 0.004677 -0.004876 0.000226 0.004944 0.000576 -0.002722 27O 3s -0.061816 0.039422 0.007472 -0.133176 -0.015422 0.063747 27O 4s 0.229082 -0.106061 -0.010040 0.614918 0.032370 -0.264447 27O 5s -0.046903 0.116629 -0.085574 0.406047 0.107259 -0.290289 27O 1pz -0.011425 0.014974 -0.002551 -0.000616 -0.000953 -0.005028 27O 1px 0.003812 -0.001274 0.010045 0.036229 -0.016021 -0.015632 27O 1py 0.012097 -0.022426 0.005212 -0.012762 0.003259 0.012884 27O 2pz 0.044368 -0.057749 0.022281 0.031293 0.000442 0.009800 27O 2px -0.085836 -0.012744 0.004563 -0.426535 0.009842 0.195240 27O 2py -0.034247 0.087894 -0.031241 0.087012 0.010664 -0.080263 27O 3pz -0.014648 0.016746 0.011594 0.028933 -0.070062 -0.036223 27O 3px -0.027948 0.025970 0.056462 -0.244784 -0.096690 0.169568 27O 3py -0.000170 -0.030436 -0.059494 0.016300 0.081896 -0.018054 27O 1dz2 0.013817 -0.005259 -0.003431 0.015117 -0.006093 0.000487 27O 1dxz 0.007371 0.000981 -0.011459 -0.001602 -0.003241 -0.004665 27O 1dyz 0.007997 -0.021392 0.027898 0.008716 -0.016025 0.011234 27O 1dx2y2 0.005325 -0.009692 0.011732 -0.016235 -0.025975 0.004506 27O 1dxy 0.006139 -0.009105 0.001683 0.011632 -0.009930 -0.002229 27O 2dz2 -0.009905 -0.009735 0.011556 -0.064830 -0.011286 0.034579 27O 2dxz -0.011749 0.016571 -0.007231 -0.029451 0.003763 0.002229 27O 2dyz -0.001017 -0.002012 0.002414 0.009909 -0.002285 -0.000589 27O 2dx2y2 0.019918 0.007039 -0.011413 0.116248 0.009659 -0.051363 27O 2dxy 0.008491 -0.026997 0.017849 -0.024989 -0.014872 0.033495 27O 1f0 0.266404 -0.336018 0.226085 0.017353 -0.287031 0.092889 27O 1f+1 -0.047567 -0.024905 0.026302 -0.029549 -0.017230 0.037696 27O 1f-1 -0.097313 -0.002068 0.208818 0.002272 0.048419 -0.053990 27O 1f+2 0.156792 -0.200511 0.182664 -0.052635 -0.192769 0.069382 27O 1f-2 -0.089826 0.130115 -0.059635 -0.064947 0.082113 -0.057189 27O 1f+3 0.027981 0.005855 -0.015741 -0.017632 -0.015911 -0.002518 27O 1f-3 -0.006840 0.005024 -0.065470 -0.035457 -0.026300 0.027905 28O 1s 0.001770 0.001622 0.000132 0.000125 -0.001216 -0.000315 28O 2s 0.006847 0.005573 -0.000018 0.002151 -0.006904 -0.002204 28O 3s -0.090114 -0.057658 0.029169 -0.057425 0.144091 0.054063 28O 4s 0.335841 0.185857 -0.124996 0.291113 -0.615237 -0.237458 28O 5s -0.051230 0.035641 -0.178461 0.139981 -0.383526 -0.386813 28O 1pz -0.007044 -0.013107 -0.000703 0.022201 -0.023426 -0.014069 28O 1px -0.019975 -0.019353 -0.013349 -0.021651 0.027464 0.007931 28O 1py -0.008435 -0.012914 -0.002228 0.005458 -0.005077 -0.005237 28O 2pz -0.034916 0.028892 0.079188 -0.144782 0.247939 0.145762 28O 2px 0.145283 0.087191 -0.039190 0.175724 -0.322662 -0.133983 28O 2py 0.030459 0.045800 0.022804 -0.014355 0.036522 0.043542 28O 3pz -0.060635 -0.060165 0.108240 0.010172 0.160942 0.051383 28O 3px 0.009824 0.034042 -0.082405 0.082930 -0.195732 -0.171158 28O 3py -0.007211 -0.002387 0.061105 0.020958 -0.006418 -0.012968 28O 1dz2 0.000259 -0.008179 -0.022274 0.001170 0.014622 -0.009922 28O 1dxz 0.001020 -0.005423 -0.023141 0.000245 -0.012399 -0.009567 28O 1dyz -0.023831 -0.021606 -0.020588 -0.026310 0.003477 -0.013303 28O 1dx2y2 0.001610 -0.000366 0.008422 0.003455 0.011711 0.006247 28O 1dxy -0.008628 -0.009119 -0.016497 -0.000913 0.005656 -0.009922 28O 2dz2 -0.009379 -0.014595 -0.008651 -0.006374 0.003709 -0.010568 28O 2dxz -0.021507 0.000437 0.040246 -0.045785 0.103992 0.051517 28O 2dyz -0.006411 -0.007720 -0.008315 -0.006136 -0.000353 -0.011428 28O 2dx2y2 0.024864 0.011065 -0.022145 0.036863 -0.073441 -0.028099 28O 2dxy 0.009783 0.009536 0.008858 0.000039 0.008001 0.012431 28O 1f0 0.062304 0.073007 0.045249 0.085702 0.059906 0.117683 28O 1f+1 0.080117 0.062998 -0.032856 0.097971 0.030802 0.052584 28O 1f-1 -0.157042 -0.160728 -0.296887 -0.042575 0.000879 -0.074781 28O 1f+2 0.112816 0.068050 -0.042368 0.134768 0.076177 0.090251 28O 1f-2 -0.206870 -0.212509 -0.288075 -0.104235 0.018511 -0.093987 28O 1f+3 -0.072020 -0.011593 0.048446 -0.073410 -0.111568 -0.053568 28O 1f-3 0.241700 0.223771 0.252771 0.104205 -0.090523 0.061111 29O 1s 0.000087 0.000509 -0.000143 -0.000376 -0.000535 -0.002354 29O 2s 0.000330 0.000762 -0.000333 -0.000980 -0.001336 -0.006445 29O 3s -0.004274 0.011550 0.000066 0.004018 0.003697 0.035041 29O 4s 0.010659 -0.069738 0.005103 0.000148 0.007426 -0.087531 29O 5s -0.002858 0.017513 0.019507 0.039116 0.058623 0.555850 29O 1pz 0.001746 -0.010784 0.003725 -0.000925 0.004402 0.012614 29O 1px -0.001601 0.023148 -0.000683 -0.005665 -0.007320 -0.024935 29O 1py 0.002754 -0.004136 0.001033 0.002691 0.003646 0.016886 29O 2pz -0.004547 0.034168 -0.023250 0.001288 -0.013239 -0.054457 29O 2px 0.004716 -0.065756 -0.000060 0.019401 0.026710 0.104137 29O 2py -0.008170 0.032602 -0.005970 -0.013835 -0.021193 -0.091919 29O 3pz 0.003195 0.021485 -0.027035 -0.009551 -0.002813 -0.002922 29O 3px -0.001948 -0.058270 -0.002841 0.003400 0.012229 -0.051497 29O 3py -0.002525 0.057607 -0.006768 -0.021154 -0.037373 -0.192358 29O 1dz2 -0.002239 0.018886 -0.004775 0.001355 -0.001291 -0.053500 29O 1dxz -0.000276 0.005981 0.007922 -0.001517 0.005460 -0.034016 29O 1dyz 0.000805 -0.015810 0.005197 -0.001788 0.000261 0.031274 29O 1dx2y2 -0.001969 0.024376 0.000813 -0.007553 -0.008705 -0.022066 29O 1dxy -0.001126 0.025730 0.000877 0.000898 0.002259 -0.047123 29O 2dz2 -0.000536 0.001824 0.005574 0.001746 0.004014 -0.011218 29O 2dxz 0.000594 -0.001843 -0.000410 0.003444 0.006553 -0.005407 29O 2dyz 0.000259 -0.011304 0.011082 -0.000813 0.002009 0.020180 29O 2dx2y2 -0.001193 0.015945 -0.002832 -0.005329 -0.008003 -0.016412 29O 2dxy 0.000118 0.019723 0.001543 -0.005269 -0.007473 -0.036633 29O 1f0 0.005134 -0.054828 0.010100 0.019018 0.022123 0.092499 29O 1f+1 -0.007354 0.057714 -0.004703 -0.007069 -0.025746 -0.096894 29O 1f-1 -0.001383 0.018348 -0.005018 -0.018776 -0.023157 0.010215 29O 1f+2 0.003800 -0.042017 -0.002209 -0.017753 -0.016192 0.141423 29O 1f-2 0.005762 -0.096050 0.004045 0.014886 0.018577 0.204772 29O 1f+3 0.016607 -0.205283 0.006963 0.017021 0.017616 0.449230 29O 1f-3 0.006782 -0.129866 0.019595 0.034345 0.051945 0.224848 30O 1s -0.001485 0.001402 -0.000555 -0.000978 0.000203 -0.000665 30O 2s -0.005825 0.005562 -0.003912 -0.003881 0.003054 -0.002805 30O 3s 0.078504 -0.083313 0.092960 0.037268 -0.090720 0.043583 30O 4s -0.292755 0.309225 -0.407337 -0.145454 0.425036 -0.151444 30O 5s 0.039987 0.220874 -0.295293 0.046278 0.237528 0.012414 30O 1pz 0.002952 0.000324 -0.012905 -0.010893 0.018990 -0.002864 30O 1px 0.015818 -0.020328 0.014297 0.028584 -0.011476 -0.001070 30O 1py -0.003566 0.005550 0.015317 0.004948 -0.024413 0.005659 30O 2pz 0.036631 -0.060463 0.143373 0.027678 -0.157273 0.034164 30O 2px -0.120329 0.161757 -0.199892 -0.103140 0.199790 -0.028232 30O 2py -0.026778 0.043008 -0.145249 -0.002100 0.185823 -0.039650 30O 3pz 0.051387 -0.062488 0.071255 -0.061580 -0.098892 0.159717 30O 3px -0.018193 0.088928 -0.141512 -0.014413 0.136449 -0.076223 30O 3py -0.036351 0.066951 -0.101581 0.076330 0.065550 -0.160521 30O 1dz2 -0.013863 0.002476 -0.018532 -0.010929 -0.007601 0.018962 30O 1dxz -0.004803 0.007903 -0.007977 0.015168 0.009143 -0.003736 30O 1dyz -0.010090 0.013832 -0.002075 -0.029317 0.011657 0.001317 30O 1dx2y2 -0.006815 -0.005245 -0.006463 -0.016401 -0.004939 0.005675 30O 1dxy -0.007231 0.002038 0.009197 -0.029611 -0.007210 0.003690 30O 2dz2 0.007149 -0.012196 0.016715 0.002209 -0.018346 0.003650 30O 2dxz 0.021380 -0.032737 0.055700 0.003605 -0.059532 0.019547 30O 2dyz 0.005902 -0.009862 0.029780 -0.011486 -0.032673 0.010337 30O 2dx2y2 -0.019476 0.030328 -0.032717 -0.016001 0.030558 -0.005917 30O 2dxy -0.014606 0.028105 -0.056327 0.001098 0.063683 -0.016028 30O 1f0 -0.065143 0.057144 0.084049 -0.261832 -0.064273 0.031928 30O 1f+1 -0.155301 0.085065 -0.073800 -0.290259 -0.074349 0.074135 30O 1f-1 0.065133 0.022514 0.100504 0.070172 0.083791 -0.018411 30O 1f+2 -0.183851 0.066218 -0.055768 -0.236742 -0.059699 0.061523 30O 1f-2 -0.092699 0.119540 0.079009 -0.272459 0.006410 0.026133 30O 1f+3 0.047821 0.072237 0.041966 0.042549 0.092138 -0.056563 30O 1f-3 0.151728 -0.101870 -0.019411 0.250859 0.013812 -0.061184 31O 1s -0.001485 -0.001412 0.000558 0.000982 -0.000206 -0.000645 31O 2s -0.005822 -0.005613 0.003923 0.003898 -0.003059 -0.002710 31O 3s 0.078507 0.084177 -0.093109 -0.037508 0.090728 0.042127 31O 4s -0.293103 -0.312004 0.407693 0.146184 -0.425049 -0.146767 31O 5s 0.039910 -0.227289 0.296884 -0.045473 -0.236758 0.018384 31O 1pz -0.002953 0.000569 -0.012932 -0.010967 0.018953 0.002646 31O 1px -0.015811 -0.020534 0.014290 0.028703 -0.011467 0.001655 31O 1py 0.003630 0.005415 0.015339 0.004972 -0.024434 -0.005782 31O 2pz -0.036758 -0.061919 0.143654 0.027991 -0.157212 -0.032422 31O 2px 0.120369 0.163403 -0.199917 -0.103543 0.199735 0.024783 31O 2py 0.026680 0.044238 -0.145437 -0.002258 0.185809 0.039053 31O 3pz -0.051767 -0.063509 0.072369 -0.060866 -0.098527 -0.162142 31O 3px 0.017763 0.091096 -0.142319 -0.014542 0.136031 0.074945 31O 3py 0.036878 0.068723 -0.102196 0.075541 0.065056 0.161795 31O 1dz2 -0.013778 -0.002493 0.018442 0.010919 0.007615 0.019267 31O 1dxz -0.004762 -0.007729 0.007983 -0.015197 -0.009166 -0.003772 31O 1dyz -0.010153 -0.013726 0.001938 0.029367 -0.011677 0.001249 31O 1dx2y2 -0.006655 0.005149 0.006410 0.016463 0.004947 0.005908 31O 1dxy -0.007186 -0.002101 -0.009260 0.029618 0.007147 0.003896 31O 2dz2 0.007116 0.012301 -0.016670 -0.002204 0.018313 0.003530 31O 2dxz 0.021421 0.033233 -0.055806 -0.003696 0.059535 0.019055 31O 2dyz 0.005815 0.010364 -0.029905 0.011393 0.032607 0.009539 31O 2dx2y2 -0.019503 -0.030410 0.032682 0.016006 -0.030590 -0.005843 31O 2dxy -0.014613 -0.028635 0.056329 -0.001016 -0.063652 -0.015615 31O 1f0 0.064830 0.057515 0.084904 -0.261799 -0.064032 -0.032910 31O 1f+1 0.155283 0.085680 -0.072895 -0.290702 -0.074519 -0.076242 31O 1f-1 -0.065856 0.022267 0.100382 0.071016 0.084275 0.019360 31O 1f+2 0.183258 0.066636 -0.055140 -0.237224 -0.059732 -0.063247 31O 1f-2 0.091977 0.119783 0.079922 -0.272259 0.006909 -0.027223 31O 1f+3 -0.047613 0.071831 0.041723 0.043092 0.092523 0.057179 31O 1f-3 -0.150947 -0.102029 -0.020141 0.250908 0.013334 0.062564 32O 1s 0.000084 -0.000504 0.000165 0.000387 0.000541 -0.002325 32O 2s 0.000323 -0.000748 0.000395 0.001012 0.001351 -0.006368 32O 3s -0.004229 -0.011670 -0.000429 -0.004243 -0.003773 0.034492 32O 4s 0.010654 0.069921 -0.004241 0.000432 -0.007148 -0.086687 32O 5s -0.002961 -0.017344 -0.024661 -0.041569 -0.060387 0.553861 32O 1pz -0.001811 -0.010589 0.003857 -0.000934 0.004442 -0.012120 32O 1px 0.001677 0.023263 -0.000876 -0.005698 -0.007454 0.024829 32O 1py -0.002728 -0.004184 0.001095 0.002728 0.003755 -0.016894 32O 2pz 0.004638 0.032860 -0.023724 0.001418 -0.013239 0.051465 32O 2px -0.004927 -0.066398 0.000926 0.019702 0.027218 -0.104447 32O 2py 0.008121 0.032870 -0.006958 -0.014066 -0.021575 0.091984 32O 3pz -0.003485 0.019359 -0.026699 -0.009223 -0.002262 -0.001691 32O 3px 0.001705 -0.059017 -0.003099 0.003416 0.012151 0.049435 32O 3py 0.002708 0.057810 -0.009032 -0.022163 -0.037960 0.192430 32O 1dz2 -0.002307 -0.019448 0.005212 -0.001038 0.001636 -0.054919 32O 1dxz -0.000255 -0.005611 -0.007722 0.001626 -0.005321 -0.033124 32O 1dyz 0.000694 0.014359 -0.005374 0.001754 -0.000282 0.028368 32O 1dx2y2 -0.001996 -0.024305 -0.000613 0.007648 0.008808 -0.021663 32O 1dxy -0.001265 -0.026372 -0.000546 -0.000644 -0.001950 -0.048279 32O 2dz2 -0.000587 -0.002398 -0.005218 -0.001698 -0.003887 -0.012386 32O 2dxz 0.000596 0.002180 0.000587 -0.003518 -0.006523 -0.004829 32O 2dyz 0.000239 0.010653 -0.011397 0.000758 -0.002230 0.018995 32O 2dx2y2 -0.001210 -0.015843 0.003086 0.005349 0.008022 -0.016048 32O 2dxy 0.000049 -0.020165 -0.001122 0.005360 0.007562 -0.037171 32O 1f0 -0.005036 -0.054662 0.009940 0.020809 0.023581 -0.090232 32O 1f+1 0.007736 0.061094 -0.004925 -0.008758 -0.027194 0.103302 32O 1f-1 0.000821 0.013089 -0.003234 -0.018662 -0.022359 -0.021847 32O 1f+2 -0.004224 -0.044595 0.000378 -0.016067 -0.013125 -0.143537 32O 1f-2 -0.005251 -0.088620 0.004635 0.014641 0.017749 -0.189604 32O 1f+3 -0.017183 -0.205841 0.009371 0.018440 0.019275 -0.451545 32O 1f-3 -0.007232 -0.133705 0.019936 0.036889 0.054083 -0.230913 33O 1s 0.001767 -0.001637 -0.000134 -0.000130 0.001230 -0.000339 33O 2s 0.006829 -0.005621 0.000010 -0.002168 0.006960 -0.002309 33O 3s -0.089764 0.058113 -0.029113 0.057536 -0.144887 0.055538 33O 4s 0.334510 -0.187501 0.124896 -0.291345 0.618051 -0.241010 33O 5s -0.052686 -0.031706 0.178451 -0.138659 0.384763 -0.397650 33O 1pz 0.007019 -0.013218 -0.000801 0.022165 -0.023511 0.014245 33O 1px 0.019838 -0.019441 -0.013370 -0.021699 0.027612 -0.008425 33O 1py 0.008495 -0.012974 -0.002279 0.005407 -0.005148 0.005246 33O 2pz 0.034490 0.029290 0.079375 -0.144373 0.248696 -0.147583 33O 2px -0.144282 0.087453 -0.039282 0.175738 -0.324131 0.137362 33O 2py -0.030402 0.045978 0.023138 -0.014265 0.037180 -0.043979 33O 3pz 0.060535 -0.060850 0.108098 0.009994 0.161279 -0.050249 33O 3px -0.009327 0.033539 -0.082896 0.082486 -0.196723 0.174012 33O 3py 0.008167 -0.003495 0.061124 0.020434 -0.005786 0.014694 33O 1dz2 0.000459 0.008179 0.022356 -0.001157 -0.014520 -0.010037 33O 1dxz 0.001084 0.005212 0.023072 -0.000184 0.012501 -0.009256 33O 1dyz -0.023867 0.021664 0.020633 0.026430 -0.003470 -0.013357 33O 1dx2y2 0.001747 0.000411 -0.008514 -0.003589 -0.011732 0.006107 33O 1dxy -0.008610 0.009183 0.016716 0.001001 -0.005600 -0.009934 33O 2dz2 -0.009401 0.014785 0.008496 0.006480 -0.003898 -0.010797 33O 2dxz -0.021207 -0.000667 -0.040245 0.045654 -0.104258 0.052557 33O 2dyz -0.006358 0.007880 0.008385 0.006125 0.000529 -0.012081 33O 2dx2y2 0.024673 -0.011123 0.022211 -0.036860 0.073806 -0.028715 33O 2dxy 0.009648 -0.009617 -0.008974 0.000022 -0.008247 0.012702 33O 1f0 -0.063254 0.073196 0.046004 0.086968 0.060080 -0.117775 33O 1f+1 -0.081628 0.063102 -0.033063 0.098826 0.030504 -0.052205 33O 1f-1 0.155205 -0.160842 -0.297897 -0.042674 0.000914 0.073314 33O 1f+2 -0.115488 0.067940 -0.042216 0.136035 0.076053 -0.089640 33O 1f-2 0.205575 -0.212718 -0.288680 -0.104842 0.018600 0.092796 33O 1f+3 0.074749 -0.010994 0.048865 -0.074267 -0.111638 0.053029 33O 1f-3 -0.240358 0.224035 0.253255 0.104590 -0.090406 -0.060295 34O 1s 0.001226 0.001550 -0.000062 -0.000502 -0.000189 -0.000421 34O 2s 0.004668 0.004821 -0.000186 -0.004904 -0.000551 -0.002943 34O 3s -0.061316 -0.038459 -0.008135 0.132575 0.015069 0.067363 34O 4s 0.226639 0.102888 0.012411 -0.612720 -0.031261 -0.276615 34O 5s -0.050421 -0.123536 0.089522 -0.404632 -0.106294 -0.306584 34O 1pz 0.011485 0.014984 -0.002513 -0.000644 -0.000940 0.004760 34O 1px -0.003585 -0.001012 0.009915 0.036094 -0.016047 0.016275 34O 1py -0.012264 -0.022557 0.005249 -0.012683 0.003297 -0.012841 34O 2pz -0.044522 -0.057799 0.022142 0.031423 0.000401 -0.008490 34O 2px 0.083604 -0.015345 0.006188 -0.425220 0.010370 -0.203345 34O 2py 0.035263 0.088800 -0.031730 0.086538 0.010471 0.081551 34O 3pz 0.015238 0.017272 0.010987 0.028731 -0.070419 0.036841 34O 3px 0.026987 0.023832 0.058086 -0.243960 -0.096252 -0.175677 34O 3py -0.000248 -0.030940 -0.059498 0.016300 0.082203 0.017056 34O 1dz2 0.013678 0.005304 0.003470 -0.015161 0.006129 0.000679 34O 1dxz 0.007277 -0.000942 0.011485 0.001605 0.003303 -0.004553 34O 1dyz 0.008134 0.021402 -0.027967 -0.008661 0.015966 0.011094 34O 1dx2y2 0.005320 0.009534 -0.011796 0.016319 0.026089 0.004619 34O 1dxy 0.006114 0.009176 -0.001713 -0.011645 0.009943 -0.002118 34O 2dz2 -0.009543 0.010270 -0.011832 0.064615 0.011196 0.036157 34O 2dxz -0.011699 -0.016641 0.007198 0.029511 -0.003754 0.002466 34O 2dyz -0.001051 0.002066 -0.002434 -0.009913 0.002258 -0.000367 34O 2dx2y2 0.019398 -0.007695 0.011785 -0.115954 -0.009502 -0.053355 34O 2dxy 0.008900 0.027583 -0.018143 0.024757 0.014748 0.034887 34O 1f0 -0.267218 -0.334872 0.226836 0.017035 -0.287408 -0.092193 34O 1f+1 0.046579 -0.025205 0.026592 -0.029615 -0.017276 -0.037842 34O 1f-1 0.095643 -0.003151 0.208294 0.001941 0.049603 0.055151 34O 1f+2 -0.157596 -0.199627 0.183288 -0.052922 -0.192766 -0.069243 34O 1f-2 0.090209 0.129904 -0.059916 -0.064996 0.082365 0.056790 34O 1f+3 -0.027298 0.006014 -0.015778 -0.017622 -0.015983 0.002109 34O 1f-3 0.007117 0.005391 -0.065256 -0.035387 -0.026651 -0.028424 35O 1s -0.001376 0.001421 -0.000057 0.000142 -0.000559 -0.000338 35O 2s -0.005347 0.005547 0.002581 0.002069 -0.001980 -0.001618 35O 3s 0.072534 -0.078630 -0.101345 -0.053397 0.010638 0.030050 35O 4s -0.275445 0.271187 0.481535 0.269380 -0.046255 -0.109425 35O 5s 0.044905 0.173950 0.410137 0.077922 0.087100 -0.177974 35O 1pz -0.017814 0.016644 -0.013542 -0.007398 -0.010101 0.003616 35O 1px 0.006983 -0.012603 -0.021129 -0.023615 0.018562 0.000595 35O 1py -0.006084 0.010186 -0.016917 -0.011315 0.000737 0.004040 35O 2pz 0.060384 -0.058469 0.063404 0.012620 0.051250 -0.028752 35O 2px -0.110505 0.142652 0.327994 0.182660 -0.038507 -0.051926 35O 2py -0.007660 0.006022 0.159330 0.077678 0.021725 -0.034226 35O 3pz -0.022829 0.014791 0.012034 -0.037493 0.094942 -0.089483 35O 3px -0.042590 0.101892 0.222463 0.074672 0.067589 -0.205944 35O 3py -0.003320 0.065470 0.110930 -0.014821 0.059427 -0.090520 35O 1dz2 -0.000914 -0.001959 0.018519 -0.015535 0.018625 -0.004950 35O 1dxz -0.007424 0.000924 -0.000897 -0.009136 -0.006932 0.010059 35O 1dyz 0.014949 -0.009977 0.005040 -0.015850 0.033521 -0.019695 35O 1dx2y2 0.000384 -0.008177 -0.010696 -0.007590 -0.016803 0.015644 35O 1dxy 0.009901 -0.009053 -0.018114 -0.004914 0.004741 -0.005119 35O 2dz2 0.015055 -0.022256 -0.065836 -0.029043 -0.005088 0.015347 35O 2dxz 0.015568 -0.014203 0.008143 -0.007768 0.017628 -0.007177 35O 2dyz 0.005238 -0.005232 -0.001159 -0.007911 0.010661 -0.004423 35O 2dx2y2 -0.026382 0.037037 0.078634 0.037041 0.000933 -0.018219 35O 2dxy -0.007636 0.019126 0.074614 0.025566 0.015905 -0.013934 35O 1f0 0.117945 -0.018302 -0.088959 0.083667 0.128678 -0.041654 35O 1f+1 0.093583 -0.091700 0.070004 -0.075335 0.218458 -0.080185 35O 1f-1 -0.273059 0.175193 -0.217775 0.164227 -0.449107 0.227856 35O 1f+2 -0.025572 0.072962 -0.010749 0.092743 -0.004585 0.006431 35O 1f-2 0.095539 -0.022297 -0.008954 0.014069 0.097310 -0.054961 35O 1f+3 -0.089834 0.084404 -0.034565 0.077848 -0.113925 0.019925 35O 1f-3 0.043745 -0.000928 0.075634 -0.019711 0.040556 -0.042842 630 631 632 633 634 635 5.22775 5.22904 5.26478 5.27954 5.30368 5.30761 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s 0.000200 -0.000139 -0.000494 0.001462 -0.000071 0.000058 0Rh 2s -0.001133 0.000784 0.002831 -0.013012 0.000425 -0.000592 0Rh 3s 0.000534 -0.000374 -0.001310 0.001078 -0.000178 -0.000004 0Rh 4s 0.007145 -0.004933 -0.018406 0.077605 -0.002636 0.003455 0Rh 5s -0.018668 0.012909 0.054045 -0.201068 0.006638 -0.008643 0Rh 6s 0.021228 -0.014929 -0.084143 0.236832 -0.006570 0.009321 0Rh 7s -0.081612 0.047223 0.245742 -0.438492 0.016493 -0.026516 0Rh 8s 0.028984 -0.013940 -0.080562 -0.265546 0.001198 0.001853 0Rh 1pz -0.003779 0.000382 -0.003896 0.001661 0.000099 -0.022406 0Rh 1px 0.004715 -0.003064 0.013676 -0.005728 0.000907 -0.007199 0Rh 1py 0.001368 0.001077 0.007423 0.006653 -0.001254 0.000278 0Rh 2pz 0.015498 -0.001587 0.015798 -0.006590 -0.000404 0.092242 0Rh 2px -0.019455 0.012640 -0.055598 0.022846 -0.003740 0.029647 0Rh 2py -0.005638 -0.004411 -0.030405 -0.027337 0.005147 -0.001144 0Rh 3pz -0.046951 0.005225 -0.043855 0.015392 0.001185 -0.285138 0Rh 3px 0.061336 -0.039792 0.157206 -0.055865 0.011648 -0.091889 0Rh 3py 0.017607 0.013113 0.090894 0.083427 -0.015639 0.003476 0Rh 4pz 0.055549 -0.007587 0.037947 -0.003909 -0.001130 0.350157 0Rh 4px -0.080021 0.051595 -0.145822 0.024578 -0.014591 0.113374 0Rh 4py -0.022472 -0.014234 -0.101713 -0.097855 0.018444 -0.003835 0Rh 5pz -0.029274 0.006697 0.004924 -0.019831 -0.000514 -0.197586 0Rh 5px 0.056410 -0.034336 0.002290 0.046488 0.009018 -0.062265 0Rh 5py 0.013966 0.003762 0.035666 0.030801 -0.008856 0.000541 0Rh 6pz 0.057603 -0.012532 0.034108 -0.088501 0.014102 0.399295 0Rh 6px -0.084787 0.035576 -0.086272 0.470319 -0.033013 0.084545 0Rh 6py 0.048104 -0.020851 0.165106 0.446337 0.015118 0.040814 0Rh 1dz2 -0.002440 -0.010844 -0.018193 -0.008540 -0.000282 -0.000661 0Rh 1dxz 0.004136 -0.003728 -0.025397 -0.013273 -0.000511 -0.003019 0Rh 1dyz -0.017466 -0.007333 -0.005207 -0.000600 0.000026 0.001063 0Rh 1dx2y2 -0.004929 -0.000425 0.040308 0.022804 0.000116 0.002598 0Rh 1dxy -0.009690 -0.002468 0.013450 0.004200 0.000571 0.000982 0Rh 2dz2 0.004224 0.000072 0.002764 -0.000158 0.000028 0.000240 0Rh 2dxz -0.000204 -0.000924 0.003552 0.000018 0.000054 0.000116 0Rh 2dyz 0.008029 0.006246 0.000751 0.000061 0.000069 -0.000132 0Rh 2dx2y2 0.003109 -0.001635 -0.005269 -0.000805 -0.000133 -0.000497 0Rh 2dxy 0.004006 0.001492 -0.001751 0.000239 -0.000119 -0.000262 0Rh 3dz2 -0.008503 0.049893 0.072363 0.041242 0.001192 0.001965 0Rh 3dxz -0.018338 0.021636 0.102679 0.062926 0.002171 0.013745 0Rh 3dyz 0.043314 0.004790 0.020783 0.002536 -0.000471 -0.004445 0Rh 3dx2y2 0.008539 0.009382 -0.164573 -0.104316 0.000055 -0.009965 0Rh 3dxy 0.026332 0.004373 -0.055031 -0.021153 -0.002151 -0.003435 0Rh 4dz2 0.038516 -0.091402 -0.126811 -0.086978 -0.002143 -0.002515 0Rh 4dxz 0.033723 -0.045148 -0.182336 -0.131413 -0.004078 -0.026550 0Rh 4dyz -0.036307 0.024082 -0.035975 -0.005381 0.001415 0.008473 0Rh 4dx2y2 -0.001442 -0.023237 0.293831 0.212633 -0.000511 0.017443 0Rh 4dxy -0.028755 0.000800 0.098566 0.046810 0.003770 0.005688 0Rh 5dz2 -0.129450 0.088019 0.124172 0.187477 0.002628 -0.001213 0Rh 5dxz -0.033799 0.065720 0.186084 0.278159 0.005462 0.035818 0Rh 5dyz -0.139859 -0.154307 0.032667 0.017242 -0.002785 -0.007476 0Rh 5dx2y2 -0.050153 0.037344 -0.304927 -0.426097 0.001116 -0.015387 0Rh 5dxy -0.047288 -0.038815 -0.108342 -0.117979 -0.003784 -0.003626 0Rh 1f0 -0.001017 -0.000155 -0.008966 0.010496 0.000415 0.008614 0Rh 1f+1 0.002655 0.000856 0.008896 -0.006591 0.000035 0.010055 0Rh 1f-1 0.000008 -0.002408 0.005724 0.002106 0.000203 -0.007635 0Rh 1f+2 -0.001771 -0.000386 0.016068 -0.009649 -0.000083 0.004855 0Rh 1f-2 0.004463 0.004000 0.007424 -0.001911 0.000505 -0.002545 0Rh 1f+3 -0.001533 0.001942 0.016955 -0.014179 -0.000479 -0.000928 0Rh 1f-3 -0.002722 -0.000636 0.007563 -0.009341 0.000272 0.004160 1Rh 1s 0.000197 -0.000139 -0.000495 -0.001458 0.000071 0.000048 1Rh 2s -0.001098 0.000798 0.002842 0.012986 -0.000420 -0.000496 1Rh 3s 0.000535 -0.000368 -0.001312 -0.001070 0.000179 -0.000005 1Rh 4s 0.006943 -0.005010 -0.018473 -0.077446 0.002614 0.002889 1Rh 5s -0.018137 0.013122 0.054216 0.200651 -0.006588 -0.007158 1Rh 6s 0.020557 -0.015275 -0.084322 -0.236342 0.006531 0.007482 1Rh 7s -0.080227 0.048187 0.245914 0.437511 -0.016331 -0.023081 1Rh 8s 0.028965 -0.013406 -0.080859 0.265003 -0.001134 0.003443 1Rh 1pz 0.003860 -0.000406 0.003940 0.001460 0.000396 0.022435 1Rh 1px -0.004792 0.002944 -0.013672 -0.005716 0.001047 0.007141 1Rh 1py -0.001336 -0.001042 -0.007353 0.006526 -0.001315 -0.000152 1Rh 2pz -0.015828 0.001685 -0.015977 -0.005764 -0.001626 -0.092359 1Rh 2px 0.019770 -0.012150 0.055583 0.022800 -0.004312 -0.029415 1Rh 2py 0.005506 0.004263 0.030120 -0.026813 0.005402 0.000627 1Rh 3pz 0.047903 -0.005535 0.044387 0.012876 0.004920 0.285452 1Rh 3px -0.062249 0.038360 -0.157171 -0.055772 0.013396 0.091278 1Rh 3py -0.017224 -0.012665 -0.090057 0.081821 -0.016491 -0.001905 1Rh 4pz -0.056518 0.007977 -0.038530 -0.000927 -0.005586 -0.350384 1Rh 4px 0.080945 -0.050098 0.145810 0.024624 -0.016676 -0.112959 1Rh 4py 0.022078 0.013716 0.100811 -0.095899 0.019682 0.001999 1Rh 5pz 0.029412 -0.006871 -0.004810 -0.021235 0.001705 0.197407 1Rh 5px -0.056562 0.033987 -0.002308 0.046167 0.010112 0.062591 1Rh 5py -0.013930 -0.003598 -0.035433 0.029741 -0.009949 0.000189 1Rh 6pz -0.056014 0.011143 -0.032376 -0.086486 0.010821 -0.398660 1Rh 6px 0.085550 -0.035071 0.085021 0.471972 -0.035464 -0.083601 1Rh 6py -0.046904 0.022373 -0.162749 0.443524 0.018630 -0.037285 1Rh 1dz2 -0.002400 -0.010775 -0.018167 0.008576 0.000337 -0.000611 1Rh 1dxz 0.004215 -0.003692 -0.025380 0.013259 0.000529 -0.002923 1Rh 1dyz -0.017405 -0.007323 -0.005067 0.000432 -0.000007 0.001106 1Rh 1dx2y2 -0.005009 -0.000533 0.040338 -0.022896 -0.000192 0.002402 1Rh 1dxy -0.009686 -0.002517 0.013554 -0.004349 -0.000605 0.000981 1Rh 2dz2 0.004221 0.000060 0.002764 0.000143 -0.000032 0.000229 1Rh 2dxz -0.000210 -0.000928 0.003549 -0.000022 -0.000068 0.000108 1Rh 2dyz 0.008032 0.006236 0.000742 -0.000075 -0.000072 -0.000145 1Rh 2dx2y2 0.003117 -0.001627 -0.005268 0.000812 0.000140 -0.000479 1Rh 2dxy 0.004010 0.001493 -0.001756 -0.000232 0.000120 -0.000270 1Rh 3dz2 -0.008680 0.049624 0.072241 -0.041339 -0.001432 0.001775 1Rh 3dxz -0.018681 0.021487 0.102616 -0.062843 -0.002188 0.013325 1Rh 3dyz 0.043013 0.004787 0.020160 -0.001670 0.000392 -0.004588 1Rh 3dx2y2 0.008883 0.009852 -0.164728 0.104722 0.000273 -0.009118 1Rh 3dxy 0.026297 0.004602 -0.055500 0.021832 0.002307 -0.003391 1Rh 4dz2 0.038876 -0.090930 -0.126545 0.087043 0.002600 -0.002155 1Rh 4dxz 0.034386 -0.044853 -0.182248 0.131230 0.004041 -0.025710 1Rh 4dyz -0.035669 0.024033 -0.034717 0.003481 -0.001270 0.008689 1Rh 4dx2y2 -0.002106 -0.024151 0.294173 -0.213423 -0.000098 0.015785 1Rh 4dxy -0.028660 0.000339 0.099505 -0.048168 -0.004071 0.005530 1Rh 5dz2 -0.130179 0.087344 0.123454 -0.186654 -0.003177 -0.001940 1Rh 5dxz -0.034998 0.065123 0.186234 -0.277995 -0.005178 0.034193 1Rh 5dyz -0.141122 -0.154012 0.030127 -0.012948 0.002687 -0.007567 1Rh 5dx2y2 -0.048922 0.039015 -0.305690 0.427230 -0.000415 -0.012483 1Rh 5dxy -0.047490 -0.037921 -0.110139 0.120357 0.004188 -0.002971 1Rh 1f0 0.001056 0.000194 0.008971 0.010470 0.000230 -0.008559 1Rh 1f+1 -0.002655 -0.000870 -0.008958 -0.006438 -0.000097 -0.010096 1Rh 1f-1 0.000011 0.002381 -0.005661 0.001928 0.000194 0.007660 1Rh 1f+2 0.001786 0.000424 -0.016011 -0.009663 -0.000094 -0.004901 1Rh 1f-2 -0.004502 -0.003966 -0.007475 -0.001870 0.000518 0.002530 1Rh 1f+3 0.001518 -0.001985 -0.016950 -0.014143 -0.000447 0.000839 1Rh 1f-3 0.002707 0.000580 -0.007503 -0.009327 0.000293 -0.004190 2C 1s 0.002710 0.001939 0.002869 0.000407 -0.000206 0.000164 2C 2s 0.003076 0.002223 0.003852 0.000394 -0.000214 -0.000022 2C 3s 0.082615 0.033822 0.003957 0.009789 -0.007734 0.015941 2C 4s -0.635031 -0.357773 -0.299966 -0.046722 0.046562 -0.059031 2C 5s -0.737651 -0.091005 0.287653 0.104918 -0.014792 0.113033 2C 1pz -0.000826 -0.015532 -0.015631 0.000771 -0.000262 -0.000657 2C 1px -0.006485 -0.008943 -0.008840 -0.007627 -0.000364 0.003539 2C 1py -0.004823 -0.001794 -0.011399 -0.000602 0.000245 0.001461 2C 2pz -0.366333 -0.212515 -0.224613 -0.028981 -0.022974 -0.020147 2C 2px 0.034249 0.040908 0.050013 0.105640 0.012161 -0.009946 2C 2py -0.267949 -0.160618 -0.155416 0.010829 0.072128 0.043725 2C 3pz -0.170873 -0.032469 0.075809 0.023613 0.030407 0.045230 2C 3px -0.064306 -0.027382 0.011126 -0.025679 -0.011080 -0.036097 2C 3py -0.107746 -0.007577 0.045142 0.011739 -0.044552 -0.027714 2C 1dz2 -0.037768 -0.004820 -0.023090 0.001670 0.002126 0.003474 2C 1dxz -0.027360 -0.003510 -0.015815 -0.002683 0.007121 0.001705 2C 1dyz -0.037957 -0.042782 -0.029965 -0.001484 0.002923 0.002052 2C 1dx2y2 0.003018 0.020512 0.006016 0.003588 0.005607 0.006302 2C 1dxy -0.010367 -0.013033 -0.009922 -0.002682 -0.008279 -0.008732 2C 2dz2 -0.102868 0.003102 -0.050778 -0.017932 0.054316 0.059412 2C 2dxz -0.111237 -0.021334 -0.073753 0.026370 0.012885 -0.019689 2C 2dyz -0.048574 -0.046451 -0.028432 0.010485 -0.014491 -0.010343 2C 2dx2y2 0.047502 0.093725 0.055121 0.033581 0.031644 0.024708 2C 2dxy 0.024396 -0.036325 0.005306 0.020220 -0.029150 -0.045404 2C 1f0 -0.033869 0.052627 -0.000613 -0.002948 0.045051 0.049265 2C 1f+1 -0.008469 0.016754 0.001107 0.008385 -0.034545 -0.037761 2C 1f-1 -0.038585 -0.020129 -0.027423 -0.007821 -0.025239 -0.021636 2C 1f+2 -0.016444 0.030780 -0.015576 0.012087 -0.020168 -0.015067 2C 1f-2 -0.024961 -0.004601 -0.003900 0.001993 0.037048 0.003535 2C 1f+3 -0.009933 -0.004791 -0.007333 0.007127 0.052095 0.040380 2C 1f-3 0.026127 -0.010774 0.017143 -0.004770 0.009726 0.017087 3C 1s -0.003875 -0.001166 0.002662 -0.000048 0.000027 0.000288 3C 2s -0.005211 -0.000798 0.003381 -0.000330 -0.000067 0.000381 3C 3s -0.047009 -0.059664 0.008073 0.024568 0.005791 0.000608 3C 4s 0.605429 0.392254 -0.280616 -0.125476 -0.012088 -0.034837 3C 5s 0.627166 0.126927 0.447813 0.020126 0.014448 -0.026331 3C 1pz 0.007451 -0.006818 -0.006450 0.004192 -0.000191 -0.001068 3C 1px 0.009917 0.003002 -0.006811 -0.004087 0.001409 0.000073 3C 1py -0.017346 -0.009269 0.018587 -0.003461 -0.000527 0.002602 3C 2pz 0.340754 0.190796 -0.170533 -0.065033 0.042859 -0.052908 3C 2px 0.088640 0.043939 -0.025695 0.078481 0.039777 -0.050898 3C 2py -0.324370 -0.184890 0.156300 0.069095 0.038664 -0.044136 3C 3pz 0.047032 0.007449 0.053321 -0.010717 -0.018115 0.019437 3C 3px 0.072020 0.025209 0.037357 -0.014774 -0.049270 0.044069 3C 3py -0.132792 -0.063123 -0.100471 0.004367 -0.032043 0.041939 3C 1dz2 -0.024398 0.004587 0.009377 -0.001326 0.001950 0.000287 3C 1dxz 0.012206 0.018028 -0.010570 -0.004241 -0.009336 0.007526 3C 1dyz -0.035351 -0.034856 0.023553 -0.000586 0.004562 -0.005878 3C 1dx2y2 -0.045410 -0.004162 0.017886 -0.001944 -0.003981 0.004991 3C 1dxy -0.038985 -0.015895 0.018479 -0.000341 -0.005830 0.010069 3C 2dz2 -0.008221 0.027387 -0.007481 -0.013104 -0.007853 0.014376 3C 2dxz 0.050283 0.065549 -0.048845 -0.020351 -0.042106 0.032971 3C 2dyz 0.035003 -0.062930 0.000431 0.026672 0.014628 -0.034719 3C 2dx2y2 -0.157635 -0.015142 0.055210 0.024195 -0.059433 0.061669 3C 2dxy -0.112299 -0.024487 0.056773 -0.029850 0.024858 -0.010602 3C 1f0 -0.046669 -0.003067 0.015463 -0.005947 -0.046486 0.054412 3C 1f+1 -0.035822 0.014974 0.020925 -0.001482 0.032965 -0.032549 3C 1f-1 0.043366 -0.049406 0.003261 0.011144 0.034253 -0.048724 3C 1f+2 -0.017020 -0.019276 0.014655 0.014292 0.024895 -0.031307 3C 1f-2 0.004110 -0.024528 -0.001663 -0.003432 -0.027381 0.042757 3C 1f+3 0.015430 0.006826 -0.015093 0.003949 -0.053842 0.051208 3C 1f-3 -0.000822 0.021974 -0.014667 0.001370 -0.010402 -0.001140 4C 1s 0.000038 0.000295 0.001402 -0.000775 -0.000017 -0.000193 4C 2s 0.001949 0.001567 0.003545 -0.001334 -0.000143 -0.000290 4C 3s -0.140737 -0.044319 -0.027058 -0.004414 0.004199 -0.026321 4C 4s 0.605184 0.147659 0.086632 0.058411 -0.015025 0.140649 4C 5s -0.212893 -0.281137 -0.136326 0.109663 0.032751 0.036937 4C 1pz 0.021188 0.031743 0.025859 0.003140 0.000466 0.010484 4C 1px 0.007158 0.012386 0.015859 -0.001225 -0.000016 -0.027427 4C 1py 0.028083 -0.000278 0.023165 -0.000111 -0.002983 -0.007402 4C 2pz -0.307536 -0.267223 -0.269854 -0.041468 0.006573 -0.095064 4C 2px -0.046672 -0.095926 -0.152490 0.114849 0.021804 0.343948 4C 2py -0.244392 -0.120152 -0.226162 0.026186 0.037851 0.095701 4C 3pz -0.919100 -0.387768 0.135776 0.061691 -0.000935 0.027521 4C 3px -0.159191 -0.098494 0.042674 0.058081 0.001959 0.134336 4C 3py -0.641807 -0.233762 0.097083 0.077667 0.023093 0.077652 4C 1dz2 -0.003247 0.027062 0.007062 0.013691 -0.023861 -0.019201 4C 1dxz -0.012166 0.006342 0.015375 -0.012015 0.032339 0.031088 4C 1dyz 0.035847 0.005754 0.013786 0.004944 0.024596 0.022004 4C 1dx2y2 0.004044 0.010748 -0.015427 -0.007338 0.040013 0.029400 4C 1dxy 0.008095 0.001130 -0.021616 -0.006788 -0.060251 -0.037255 4C 2dz2 0.084551 0.142698 0.122000 -0.076110 0.005949 -0.027892 4C 2dxz 0.092992 0.086085 0.065894 0.127451 0.000458 0.040954 4C 2dyz 0.159670 0.059774 0.116124 -0.011992 -0.015485 -0.001367 4C 2dx2y2 -0.123439 -0.071918 -0.133765 0.035620 0.019364 0.043463 4C 2dxy 0.012721 -0.007172 -0.024109 0.113051 0.003359 0.045046 4C 1f0 0.026933 -0.052044 0.025733 -0.008958 0.055788 0.032046 4C 1f+1 0.006894 -0.009893 0.024578 -0.017203 -0.053754 -0.035400 4C 1f-1 -0.073809 -0.055458 -0.049173 -0.003893 -0.033971 -0.048860 4C 1f+2 0.051812 -0.026810 0.002724 -0.005348 -0.034474 -0.039860 4C 1f-2 -0.019213 -0.028808 -0.019628 0.004153 0.037955 0.062423 4C 1f+3 -0.014110 -0.008648 0.003283 -0.019849 0.074192 0.046064 4C 1f-3 -0.004292 0.034554 0.039391 -0.014517 0.019931 -0.012747 5C 1s -0.000576 0.000334 0.001032 0.001015 -0.000440 0.000561 5C 2s -0.002761 -0.000503 0.002796 0.002204 -0.000761 0.000864 5C 3s 0.073334 0.085408 -0.026213 -0.044985 -0.006110 0.024694 5C 4s -0.226498 -0.387367 0.108284 0.172105 0.047367 -0.133608 5C 5s 0.308890 0.235680 -0.153686 -0.097361 -0.035432 -0.047685 5C 1pz -0.030366 0.008204 0.015182 -0.001201 -0.000971 0.009488 5C 1px -0.016010 -0.007443 0.003874 -0.002156 -0.003879 -0.015564 5C 1py 0.035119 0.026567 -0.029433 -0.000706 -0.000774 -0.004791 5C 2pz 0.269470 0.060023 -0.180036 -0.068236 0.020846 -0.127606 5C 2px 0.228608 0.046311 0.006947 0.169218 0.010189 0.227127 5C 2py -0.403283 -0.220811 0.278857 0.068695 -0.006575 0.086388 5C 3pz 0.536735 0.217320 0.169007 -0.025864 0.002080 -0.066332 5C 3px 0.302314 0.170336 0.050691 0.023696 0.019872 0.010612 5C 3py -0.842153 -0.426682 -0.241690 0.064128 0.020830 0.069411 5C 1dz2 -0.004874 0.024134 0.016790 0.004318 0.034750 -0.036579 5C 1dxz -0.005729 0.011163 -0.001452 -0.016071 -0.061915 0.069028 5C 1dyz 0.031608 0.009773 -0.002431 -0.002432 -0.001320 0.000601 5C 1dx2y2 0.000382 0.011930 -0.022782 0.002854 -0.008039 0.005909 5C 1dxy 0.002770 0.008840 -0.020657 0.010101 -0.050547 0.045433 5C 2dz2 -0.083150 0.060822 -0.002093 -0.073716 -0.007953 0.003221 5C 2dxz -0.137140 -0.032132 0.097218 0.093276 -0.025525 0.080823 5C 2dyz 0.133383 0.031817 -0.054228 0.054526 -0.004331 0.034818 5C 2dx2y2 0.239328 0.099706 -0.119210 0.057859 -0.011807 0.019514 5C 2dxy 0.115901 0.069979 -0.106452 -0.166603 0.026150 -0.070420 5C 1f0 -0.061636 -0.033526 0.040087 0.015507 -0.061628 0.090713 5C 1f+1 -0.018591 -0.027882 0.033706 0.000077 0.055347 -0.077138 5C 1f-1 -0.046917 0.050143 0.012949 -0.000442 0.032954 -0.023012 5C 1f+2 -0.066107 -0.031132 0.033607 -0.012516 0.030284 -0.029236 5C 1f-2 -0.038663 0.000037 -0.020514 -0.020773 -0.039551 0.015903 5C 1f+3 0.009160 0.036830 -0.017839 -0.019428 -0.077647 0.088052 5C 1f-3 0.022449 -0.033080 -0.020606 -0.001204 -0.009167 0.016620 6C 1s -0.000579 0.000323 0.001025 -0.000991 0.000445 0.000546 6C 2s -0.002767 -0.000515 0.002795 -0.002159 0.000767 0.000836 6C 3s 0.073587 0.084503 -0.028524 0.044202 0.006365 0.024537 6C 4s -0.227358 -0.382352 0.119656 -0.170026 -0.048980 -0.132193 6C 5s 0.309351 0.234137 -0.151426 0.091876 0.034511 -0.048147 6C 1pz 0.030295 -0.008243 -0.015138 -0.001253 -0.001174 -0.009566 6C 1px 0.016109 0.007379 -0.003709 -0.002753 -0.003493 0.015503 6C 1py -0.035058 -0.026513 0.029259 -0.000403 -0.000730 0.004791 6C 2pz -0.268787 -0.060267 0.180320 -0.066876 0.023161 0.127544 6C 2px -0.229982 -0.043976 -0.014533 0.181455 0.005494 -0.225902 6C 2py 0.403248 0.220473 -0.277015 0.062689 -0.007706 -0.085854 6C 3pz -0.536334 -0.218538 -0.169174 -0.020803 0.004031 0.066508 6C 3px -0.302927 -0.170793 -0.051512 0.029683 0.018709 -0.011134 6C 3py 0.842255 0.428808 0.242879 0.055528 0.019095 -0.068677 6C 1dz2 -0.004871 0.024162 0.016440 -0.003563 -0.035007 -0.036287 6C 1dxz -0.005564 0.011255 -0.001436 0.015236 0.062310 0.068497 6C 1dyz 0.031684 0.009595 -0.002469 0.002185 0.001347 0.000494 6C 1dx2y2 0.000544 0.011979 -0.022519 -0.003511 0.008228 0.005824 6C 1dxy 0.002510 0.008744 -0.020856 -0.010537 0.050746 0.044763 6C 2dz2 -0.082599 0.060757 -0.004035 0.074995 0.008443 0.004033 6C 2dxz -0.137195 -0.033161 0.097159 -0.092747 0.026162 0.079737 6C 2dyz 0.133174 0.030738 -0.053781 -0.057566 0.004431 0.033840 6C 2dx2y2 0.239245 0.099119 -0.115712 -0.062962 0.011969 0.019189 6C 2dxy 0.116365 0.070942 -0.107920 0.167997 -0.026842 -0.068810 6C 1f0 0.061566 0.033563 -0.040177 0.015901 -0.062296 -0.089990 6C 1f+1 0.018732 0.027815 -0.032860 -0.001091 0.055974 0.076605 6C 1f-1 0.046659 -0.050136 -0.013071 -0.000732 0.032782 0.022479 6C 1f+2 0.066228 0.031020 -0.033471 -0.013455 0.030404 0.028785 6C 1f-2 0.038643 -0.000404 0.020615 -0.020992 -0.039328 -0.015821 6C 1f+3 -0.009180 -0.036652 0.018477 -0.018497 -0.078211 -0.087249 6C 1f-3 -0.022214 0.032953 0.020205 -0.000885 -0.009291 -0.016408 7C 1s 0.000047 0.000300 0.001413 0.000724 0.000007 -0.000182 7C 2s 0.001964 0.001568 0.003573 0.001237 0.000122 -0.000268 7C 3s -0.140078 -0.044347 -0.028195 0.005208 -0.004303 -0.026521 7C 4s 0.601631 0.147202 0.091683 -0.058793 0.015935 0.141014 7C 5s -0.218063 -0.275629 -0.137734 -0.103842 -0.031980 0.035358 7C 1pz -0.021187 -0.031496 -0.025745 0.003960 0.000465 -0.010483 7C 1px -0.007301 -0.012224 -0.016088 -0.001587 0.000279 0.027339 7C 1py -0.028227 0.000388 -0.023214 0.000189 -0.002862 0.007429 7C 2pz 0.306684 0.264572 0.266451 -0.056240 0.005044 0.095571 7C 2px 0.049522 0.094348 0.159214 0.123031 0.020568 -0.343893 7C 2py 0.246115 0.118772 0.227432 0.020523 0.036544 -0.095856 7C 3pz 0.916122 0.391300 -0.137023 0.050854 -0.002295 -0.027128 7C 3px 0.158610 0.098102 -0.041767 0.057083 -0.000126 -0.132636 7C 3py 0.641747 0.236875 -0.097734 0.071821 0.021665 -0.077484 7C 1dz2 -0.003022 0.027148 0.007442 -0.013685 0.023504 -0.019539 7C 1dxz -0.012184 0.006487 0.015011 0.011441 -0.032113 0.031607 7C 1dyz 0.035645 0.005623 0.013592 -0.005102 -0.024234 0.022215 7C 1dx2y2 0.004066 0.011055 -0.015144 0.007663 -0.039346 0.029882 7C 1dxy 0.007886 0.001274 -0.021872 0.006792 0.059326 -0.037730 7C 2dz2 0.084848 0.142244 0.122700 0.074251 -0.006155 -0.027355 7C 2dxz 0.091932 0.084677 0.063382 -0.133873 -0.001991 0.041136 7C 2dyz 0.159813 0.059418 0.116644 0.008721 0.015234 -0.001393 7C 2dx2y2 -0.124657 -0.071476 -0.133762 -0.031589 -0.018400 0.043230 7C 2dxy 0.011526 -0.007090 -0.025080 -0.115043 -0.004214 0.045230 7C 1f0 -0.027190 0.052130 -0.025651 -0.008721 0.055045 -0.032799 7C 1f+1 -0.007268 0.009860 -0.024543 -0.016971 -0.053121 0.036046 7C 1f-1 0.073556 0.055587 0.048905 -0.005391 -0.033344 0.049208 7C 1f+2 -0.051814 0.026738 -0.003298 -0.005934 -0.033990 0.040329 7C 1f-2 0.019260 0.028896 0.019852 0.004333 0.036731 -0.062592 7C 1f+3 0.013949 0.008637 -0.003588 -0.020551 0.072850 -0.046873 7C 1f-3 0.004030 -0.034326 -0.039656 -0.014658 0.019919 0.012354 8C 1s -0.003865 -0.001169 0.002661 0.000066 -0.000029 0.000294 8C 2s -0.005192 -0.000817 0.003373 0.000336 0.000066 0.000386 8C 3s -0.047195 -0.058900 0.008633 -0.023079 -0.005705 0.000872 8C 4s 0.605810 0.389179 -0.281829 0.115727 0.011547 -0.035930 8C 5s 0.626004 0.132649 0.449158 -0.025193 -0.015643 -0.024378 8C 1pz -0.007450 0.006756 0.006444 0.004149 -0.000162 0.001118 8C 1px -0.010125 -0.003119 0.006813 -0.004203 0.001355 -0.000119 8C 1py 0.017238 0.009238 -0.018440 -0.003367 -0.000510 -0.002598 8C 2pz -0.339872 -0.189092 0.169090 -0.061688 0.044241 0.053548 8C 2px -0.085621 -0.041827 0.024379 0.080519 0.039515 0.050123 8C 2py 0.326601 0.184803 -0.157103 0.062659 0.039227 0.044224 8C 3pz -0.047306 -0.008269 -0.053535 -0.009950 -0.019187 -0.020865 8C 3px -0.072344 -0.025828 -0.037181 -0.013721 -0.048304 -0.042602 8C 3py 0.132411 0.063578 0.100502 0.003232 -0.032766 -0.041695 8C 1dz2 -0.024341 0.004621 0.009323 0.001448 -0.001906 0.000350 8C 1dxz 0.012329 0.018173 -0.010559 0.004013 0.009443 0.007570 8C 1dyz -0.035451 -0.034743 0.023572 0.001158 -0.004693 -0.005852 8C 1dx2y2 -0.045095 -0.003977 0.017803 0.002202 0.004034 0.005091 8C 1dxy -0.039213 -0.015850 0.018440 0.000474 0.005954 0.010079 8C 2dz2 -0.007857 0.027498 -0.007569 0.013911 0.009002 0.015385 8C 2dxz 0.050466 0.066372 -0.048839 0.018812 0.042339 0.033012 8C 2dyz 0.034121 -0.062532 0.000827 -0.025053 -0.015835 -0.035733 8C 2dx2y2 -0.156544 -0.014762 0.054398 -0.023745 0.059648 0.061044 8C 2dxy -0.112626 -0.023823 0.056686 0.031515 -0.023562 -0.008783 8C 1f0 0.046547 0.002895 -0.015429 -0.005706 -0.046832 -0.054120 8C 1f+1 0.035416 -0.014858 -0.020767 -0.001778 0.033069 0.032107 8C 1f-1 -0.043025 0.049593 -0.003228 0.010743 0.034720 0.048606 8C 1f+2 0.016835 0.019154 -0.014772 0.013769 0.025173 0.030977 8C 1f-2 -0.003844 0.024359 0.001454 -0.003359 -0.027666 -0.042553 8C 1f+3 -0.015518 -0.006851 0.015121 0.004945 -0.054031 -0.050742 8C 1f-3 0.000684 -0.022246 0.014762 0.001293 -0.010297 0.001109 9C 1s 0.002709 0.001934 0.002865 -0.000459 0.000195 0.000165 9C 2s 0.003072 0.002231 0.003846 -0.000449 0.000200 -0.000025 9C 3s 0.082231 0.033297 0.003893 -0.012030 0.007544 0.016298 9C 4s -0.633987 -0.354207 -0.299692 0.062653 -0.044615 -0.060650 9C 5s -0.730786 -0.102549 0.289503 -0.099961 0.016016 0.113791 9C 1pz 0.000951 0.015254 0.015539 0.000883 -0.000276 0.000633 9C 1px 0.006574 0.008773 0.008878 -0.007706 -0.000427 -0.003586 9C 1py 0.005132 0.001866 0.011608 -0.000559 0.000217 -0.001465 9C 2pz 0.367910 0.212594 0.226827 -0.037004 -0.023774 0.020905 9C 2px -0.035289 -0.039557 -0.050371 0.105526 0.009980 0.012312 9C 2py 0.265002 0.155907 0.152860 0.005335 0.071288 -0.045125 9C 3pz 0.168251 0.033688 -0.075992 0.022381 0.029468 -0.045422 9C 3px 0.063697 0.027799 -0.011453 -0.026368 -0.008418 0.033991 9C 3py 0.109000 0.009826 -0.045772 0.010072 -0.044372 0.028588 9C 1dz2 -0.037414 -0.004152 -0.022642 -0.001332 -0.002071 0.003579 9C 1dxz -0.027148 -0.003043 -0.015694 0.002980 -0.007037 0.001792 9C 1dyz -0.038555 -0.042520 -0.030320 0.002064 -0.002854 0.002144 9C 1dx2y2 0.003205 0.020986 0.006332 -0.003759 -0.005678 0.006478 9C 1dxy -0.010649 -0.012974 -0.010118 0.002752 0.008202 -0.008787 9C 2dz2 -0.100801 0.004847 -0.049638 0.019370 -0.052936 0.059880 9C 2dxz -0.110508 -0.020004 -0.072828 -0.024357 -0.014855 -0.017998 9C 2dyz -0.050077 -0.045943 -0.029452 -0.008419 0.014249 -0.010366 9C 2dx2y2 0.047841 0.095429 0.055941 -0.034904 -0.032763 0.026076 9C 2dxy 0.023246 -0.037623 0.004516 -0.021229 0.027323 -0.045012 9C 1f0 0.032865 -0.053874 -0.000290 -0.002960 0.044590 -0.049949 9C 1f+1 0.008338 -0.016998 -0.001271 0.008172 -0.034267 0.038271 9C 1f-1 0.038645 0.019493 0.027400 -0.008436 -0.024679 0.021563 9C 1f+2 0.015625 -0.031085 0.015211 0.012659 -0.019806 0.014928 9C 1f-2 0.024806 0.004225 0.003847 0.001534 0.035960 -0.003186 9C 1f+3 0.010338 0.004420 0.007443 0.007226 0.051403 -0.040733 9C 1f-3 -0.025726 0.011140 -0.016613 -0.004488 0.009837 -0.017766 10H 1s -0.022478 -0.010559 -0.024163 0.003103 -0.013088 -0.015767 10H 2s -0.103886 -0.100263 -0.113607 -0.052484 -0.012344 0.005147 10H 3s 0.063855 0.021022 0.007041 0.029265 0.016704 -0.001178 10H 1pz -0.014597 -0.015277 -0.016604 -0.014493 -0.000962 0.004631 10H 1px 0.028860 0.024952 0.033149 0.004588 0.011519 0.007930 10H 1py -0.010761 -0.003915 -0.007957 -0.007973 0.012081 0.013456 11H 1s 0.034764 0.001489 0.014823 0.004531 -0.027723 -0.013196 11H 2s 0.098454 -0.023696 0.043844 0.023477 -0.051089 -0.024237 11H 3s -0.012420 -0.039251 -0.025378 -0.032378 0.033928 0.005273 11H 1pz 0.019606 -0.015031 0.005167 0.006325 -0.004383 0.001785 11H 1px 0.030251 0.001589 0.014742 0.007897 -0.013738 -0.005135 11H 1py -0.012671 0.006404 -0.000659 -0.001391 0.030593 0.019638 12H 1s -0.003637 0.028603 0.003393 0.006615 0.037305 0.041811 12H 2s -0.025011 0.029506 -0.008540 0.045555 0.054840 0.055297 12H 3s 0.015470 -0.017728 -0.019452 -0.030102 -0.042341 -0.051559 12H 1pz 0.002056 -0.000886 -0.000742 0.004197 -0.039096 -0.034338 12H 1px 0.009446 0.014632 0.009379 0.008797 0.010614 0.012757 12H 1py -0.014682 0.010433 -0.008796 0.015841 0.017289 0.020205 13H 1s 0.033141 -0.001876 -0.019042 0.001273 -0.014986 0.012277 13H 2s 0.146615 0.061925 -0.090384 -0.047589 -0.008027 0.004077 13H 3s -0.075140 -0.007804 -0.014913 0.006797 0.019333 -0.029810 13H 1pz 0.039641 0.010978 -0.020664 -0.009156 0.006562 -0.007902 13H 1px -0.029173 -0.010825 0.021909 0.004234 0.019705 -0.020977 13H 1py -0.007882 -0.004229 0.002640 0.011391 -0.006515 0.007208 14H 1s 0.010122 -0.023094 0.010761 0.007658 0.042500 -0.040476 14H 2s 0.073990 -0.001714 -0.027014 0.051907 0.058346 -0.058724 14H 3s -0.031868 0.013657 -0.029088 -0.030198 -0.050276 0.055079 14H 1pz 0.030485 0.000743 -0.013937 0.010062 0.004579 -0.004439 14H 1px 0.011537 -0.009386 0.001488 0.015808 0.027099 -0.025223 14H 1py 0.006190 0.000749 0.002767 -0.004152 0.039031 -0.043486 15H 1s -0.047818 -0.001112 0.017750 -0.001283 -0.021993 0.032668 15H 2s -0.138984 0.013483 0.041389 0.013617 -0.047590 0.067209 15H 3s 0.020697 0.051404 -0.041710 -0.010972 0.025292 -0.036070 15H 1pz 0.034168 -0.003276 -0.008540 0.001406 0.025980 -0.034530 15H 1px -0.016407 -0.003968 0.008716 0.004144 0.006072 -0.006075 15H 1py 0.032562 -0.007661 -0.008751 -0.005800 0.007846 -0.012953 16H 1s -0.006935 -0.000526 0.015716 0.039354 0.000403 0.005496 16H 2s -0.033524 0.012042 -0.133019 -0.302057 -0.003341 -0.053883 16H 3s 0.012549 0.007330 0.016804 0.008731 0.000822 -0.007283 16H 1pz -0.020961 0.005191 -0.046178 -0.103125 -0.000471 -0.014762 16H 1px -0.016103 0.007274 -0.027589 -0.042140 -0.000424 0.015316 16H 1py 0.006959 -0.002168 0.035597 0.070568 -0.000168 0.014392 17H 1s 0.004228 0.006795 0.021345 0.050112 0.000227 0.002236 17H 2s -0.048634 0.001756 -0.134630 -0.290169 -0.001493 -0.009501 17H 3s -0.012035 -0.006168 0.015741 0.009027 0.001817 0.008710 17H 1pz 0.026602 -0.011937 0.062622 0.123769 -0.000193 0.013729 17H 1px 0.000131 0.005074 0.002650 0.016445 -0.000564 -0.014011 17H 1py 0.006395 0.002831 0.028381 0.055560 -0.000235 -0.008356 18H 1s 0.003747 0.006777 0.021323 -0.050130 -0.000281 0.002097 18H 2s -0.047546 0.002482 -0.134935 0.290977 0.002110 -0.007596 18H 3s -0.011770 -0.005929 0.015655 -0.008941 -0.001694 0.008460 18H 1pz -0.026425 0.012099 -0.062056 0.122749 -0.000134 -0.012880 18H 1px 0.000165 -0.004936 -0.002242 0.015588 -0.000285 0.014255 18H 1py -0.006719 -0.002532 -0.029753 0.058174 0.000019 0.008992 19H 1s -0.007085 -0.001006 0.015662 -0.039228 -0.000418 0.005194 19H 2s -0.032156 0.012800 -0.132287 0.301048 0.003265 -0.051635 19H 3s 0.012566 0.007155 0.016889 -0.008648 -0.001057 -0.007417 19H 1pz 0.020829 -0.005302 0.046873 -0.104524 -0.000427 0.014127 19H 1px 0.016224 -0.007160 0.027824 -0.042240 -0.000685 -0.015621 19H 1py -0.006277 0.002265 -0.034436 0.068068 -0.000144 -0.013168 20H 1s -0.047471 -0.000759 0.017524 0.001163 0.022706 0.033173 20H 2s -0.137067 0.014126 0.040545 -0.014685 0.048815 0.067749 20H 3s 0.020386 0.050199 -0.041901 0.011241 -0.026031 -0.036844 20H 1pz -0.033694 0.003500 0.008300 0.001083 0.026869 0.035146 20H 1px 0.016873 0.004005 -0.008861 0.004072 0.005871 0.005684 20H 1py -0.031884 0.007942 0.008556 -0.006052 0.007915 0.012879 21H 1s 0.009495 -0.023367 0.011132 -0.007173 -0.042636 -0.040062 21H 2s 0.071918 -0.003581 -0.025422 -0.051506 -0.058813 -0.058529 21H 3s -0.030822 0.013517 -0.029582 0.029464 0.050528 0.054353 21H 1pz -0.030234 -0.000382 0.013571 0.010175 0.005013 0.004845 21H 1px -0.010728 0.009906 -0.001984 0.015473 0.027032 0.024807 21H 1py -0.006089 -0.000657 -0.002894 -0.004473 0.039360 0.043156 22H 1s 0.033223 -0.001468 -0.018938 -0.001372 0.014434 0.011579 22H 2s 0.147682 0.062428 -0.089928 0.046463 0.007553 0.003792 22H 3s -0.075298 -0.008519 -0.015054 -0.006060 -0.018829 -0.028991 22H 1pz -0.039491 -0.010994 0.020254 -0.009057 0.006801 0.007950 22H 1px 0.029643 0.011045 -0.021925 0.003816 0.019268 0.020242 22H 1py 0.008399 0.004542 -0.002835 0.011512 -0.006194 -0.006622 23H 1s -0.002788 0.029296 0.004058 -0.006916 -0.036554 0.042113 23H 2s -0.022682 0.033837 -0.005958 -0.045509 -0.054426 0.056540 23H 3s 0.013286 -0.017510 -0.019999 0.030425 0.041378 -0.052107 23H 1pz -0.001749 0.001374 0.000964 0.004039 -0.038356 0.034707 23H 1px -0.009933 -0.014829 -0.009690 0.008841 0.009877 -0.012283 23H 1py 0.013914 -0.011974 0.007886 0.016004 0.017338 -0.020867 24H 1s 0.034150 0.000393 0.014017 -0.004876 0.028043 -0.013908 24H 2s 0.094894 -0.026891 0.041023 -0.025611 0.051237 -0.025595 24H 3s -0.011804 -0.036602 -0.025042 0.032897 -0.034295 0.006406 24H 1pz -0.018521 0.015893 -0.004422 0.006870 -0.004092 -0.001888 24H 1px -0.029956 -0.000809 -0.014278 0.008533 -0.014421 0.005854 24H 1py 0.011526 -0.006917 -0.000218 -0.001351 0.030647 -0.020404 25H 1s -0.022434 -0.010942 -0.024186 -0.002852 0.011982 -0.015112 25H 2s -0.104975 -0.098893 -0.114348 0.053096 0.011654 0.006205 25H 3s 0.063556 0.021974 0.006995 -0.029391 -0.015418 -0.002470 25H 1pz 0.015060 0.015418 0.017212 -0.014438 -0.001485 -0.004433 25H 1px -0.029082 -0.024623 -0.033203 0.004708 0.010312 -0.007067 25H 1py 0.010201 0.003163 0.007379 -0.007960 0.011651 -0.013470 26O 1s -0.000865 -0.000165 -0.000661 -0.000807 -0.000208 -0.000539 26O 2s -0.003363 -0.000403 -0.001018 -0.003277 -0.000760 -0.002709 26O 3s 0.044063 -0.000928 -0.018449 0.051655 0.007933 0.046469 26O 4s -0.156622 0.011112 0.178597 -0.210649 -0.018205 -0.163122 26O 5s 0.639838 0.374138 -0.035320 -0.018472 -0.020812 -0.197350 26O 1pz -0.007560 -0.002932 0.018096 0.010395 -0.000436 -0.001618 26O 1px -0.001412 0.002689 0.004665 0.000932 -0.002185 -0.005668 26O 1py -0.004844 -0.001876 0.011708 0.005374 -0.002559 -0.005550 26O 2pz -0.000051 -0.013476 -0.071378 -0.042285 0.018955 0.026719 26O 2px 0.001256 -0.051251 -0.110137 0.064341 0.018507 0.101837 26O 2py -0.004554 -0.015828 -0.089215 0.010535 -0.017411 0.028260 26O 3pz 0.169796 0.090358 -0.035724 0.048445 -0.014960 0.018493 26O 3px -0.061214 -0.063057 0.001518 0.042846 0.005707 0.169882 26O 3py 0.110581 -0.029785 -0.031953 -0.003160 0.027052 0.130287 26O 1dz2 0.005238 0.034061 0.015776 0.011396 0.025357 0.011159 26O 1dxz 0.003045 0.018221 0.004442 -0.001081 0.029046 0.028345 26O 1dyz 0.029145 0.007044 0.017104 0.010406 -0.006150 -0.010628 26O 1dx2y2 -0.018996 0.009965 -0.005286 0.007945 0.039965 0.028025 26O 1dxy 0.004654 -0.002362 -0.005420 0.006965 -0.023707 -0.014603 26O 2dz2 0.008581 -0.000445 -0.029540 0.007889 0.001873 0.015980 26O 2dxz 0.002608 0.007229 0.005718 0.000683 -0.014989 -0.013753 26O 2dyz 0.013363 0.003150 -0.009476 -0.004573 -0.005799 -0.011569 26O 2dx2y2 -0.010959 0.011409 0.023488 -0.004415 -0.017659 -0.036647 26O 2dxy -0.002839 0.011183 0.028918 -0.013557 0.015898 -0.011723 26O 1f0 -0.134359 0.232126 -0.033180 0.007433 -0.075463 -0.040213 26O 1f+1 -0.120267 -0.067330 -0.160457 -0.045982 -0.199188 -0.129956 26O 1f-1 0.241948 0.173097 0.264686 0.091219 -0.078818 -0.071866 26O 1f+2 -0.060216 0.109319 -0.024840 0.039915 -0.164998 -0.153299 26O 1f-2 -0.085019 0.067206 -0.032148 -0.018106 0.069207 0.078472 26O 1f+3 0.037481 0.070052 0.071123 0.028652 0.112808 0.073763 26O 1f-3 -0.010299 -0.054971 -0.026467 -0.012968 0.130704 0.106734 27O 1s 0.000224 0.000486 -0.000228 -0.000261 0.000082 -0.000331 27O 2s 0.000522 0.001898 -0.000123 -0.001598 0.000239 -0.001565 27O 3s 0.003694 -0.026862 -0.014811 0.030517 -0.000121 0.023030 27O 4s -0.029210 0.100773 0.138070 -0.108399 -0.002900 -0.082124 27O 5s -0.723821 -0.322621 -0.299053 -0.280612 -0.010046 -0.003856 27O 1pz 0.003232 0.005481 0.006912 0.006073 -0.002378 0.004076 27O 1px -0.005549 0.005194 0.000398 -0.007323 0.000865 -0.000184 27O 1py -0.003851 -0.004690 -0.014311 -0.008705 -0.000816 0.001925 27O 2pz 0.007074 -0.012361 -0.026187 -0.027206 -0.018311 0.014881 27O 2px 0.106802 -0.021881 -0.045192 0.095381 -0.001483 0.037010 27O 2py -0.033535 0.002656 0.052251 0.021866 -0.020119 0.016123 27O 3pz -0.145407 -0.013214 -0.098575 -0.086068 0.021417 -0.050368 27O 3px 0.119250 0.024910 0.002912 -0.050644 0.006119 0.072794 27O 3py 0.111949 0.107421 0.105850 0.071336 0.020725 -0.074080 27O 1dz2 -0.009477 0.021144 -0.005747 -0.009895 -0.019801 0.020110 27O 1dxz -0.018732 0.010493 -0.006436 -0.013076 -0.041915 0.045086 27O 1dyz 0.033090 -0.002485 -0.004780 -0.003811 0.018667 -0.014805 27O 1dx2y2 0.013520 0.026817 -0.018729 -0.004542 -0.026120 0.030970 27O 1dxy 0.012976 0.014744 -0.008368 0.004394 -0.022827 0.020622 27O 2dz2 0.013309 0.002689 -0.008774 0.011835 -0.004090 0.012849 27O 2dxz -0.003948 -0.002049 -0.001461 -0.003625 0.020583 -0.021563 27O 2dyz 0.007841 0.004749 0.017367 0.011269 -0.002806 0.008088 27O 2dx2y2 -0.018028 0.016470 0.023422 -0.013689 0.004276 -0.015496 27O 2dxy 0.020113 0.001730 0.001876 0.014583 0.015250 -0.010950 27O 1f0 0.209811 0.188225 -0.218554 -0.119301 -0.048556 0.062686 27O 1f+1 0.042049 -0.006915 0.004233 0.007797 0.215721 -0.254066 27O 1f-1 0.214064 -0.222700 -0.065492 -0.024643 -0.120371 0.116589 27O 1f+2 0.208286 0.092531 -0.171036 -0.060943 0.034658 -0.044202 27O 1f-2 -0.044655 -0.061066 0.011001 0.030078 -0.141993 0.137183 27O 1f+3 -0.015577 0.040039 -0.035655 0.002443 -0.179299 0.214825 27O 1f-3 -0.039402 0.088133 0.007031 0.018482 0.089591 -0.109049 28O 1s -0.000242 -0.000311 -0.000048 0.000104 0.000027 0.000349 28O 2s -0.001303 -0.001076 0.000451 0.000824 0.000047 0.001890 28O 3s 0.022378 0.008738 -0.022035 -0.016312 -0.000904 -0.033441 28O 4s -0.089702 -0.015422 0.159668 0.070857 0.002585 0.127469 28O 5s 0.593443 0.337415 -0.221847 0.153895 -0.003110 0.003761 28O 1pz -0.011371 0.000322 0.011651 -0.001293 -0.001122 0.000318 28O 1px -0.006655 0.001840 0.004403 -0.007366 0.000074 0.000516 28O 1py -0.006901 -0.004438 0.009496 -0.007476 -0.000084 0.002842 28O 2pz 0.008607 -0.036465 -0.078134 -0.017419 -0.014751 -0.048336 28O 2px 0.022530 0.015043 0.028235 0.059628 -0.008369 0.035479 28O 2py 0.004660 0.004662 -0.035211 0.027991 0.024777 0.010589 28O 3pz 0.073984 0.063702 -0.088885 0.136853 0.023423 -0.076717 28O 3px 0.107147 0.098559 -0.051156 -0.019798 0.014384 0.094642 28O 3py 0.121869 0.011868 -0.052339 0.024951 -0.026755 -0.073334 28O 1dz2 -0.001007 0.038822 -0.004147 0.013228 -0.044741 -0.029968 28O 1dxz 0.003232 0.014536 0.004132 0.001715 -0.005765 0.004131 28O 1dyz 0.030918 0.000682 0.020035 -0.013713 0.028766 0.026683 28O 1dx2y2 -0.016718 0.006375 -0.009240 -0.002652 -0.012556 -0.007133 28O 1dxy -0.004909 0.011249 -0.001564 -0.007160 -0.025513 -0.011629 28O 2dz2 0.001923 0.009698 -0.005406 0.009752 0.009042 0.009817 28O 2dxz 0.006092 -0.002699 -0.026529 -0.003415 -0.006641 -0.023510 28O 2dyz 0.010095 0.001994 -0.014377 0.006548 -0.011417 -0.003637 28O 2dx2y2 -0.007962 0.007036 0.012676 0.002052 -0.006191 0.009830 28O 2dxy 0.003163 0.000219 -0.007063 0.002597 0.017600 0.014472 28O 1f0 -0.094891 0.055651 -0.028948 0.009551 0.293819 0.209310 28O 1f+1 -0.079531 0.130101 -0.024853 0.032404 0.010708 -0.007825 28O 1f-1 0.071316 0.207400 0.155232 -0.055892 -0.042846 -0.035269 28O 1f+2 -0.140144 0.175587 -0.045640 0.036903 0.070471 0.055922 28O 1f-2 0.122946 0.159517 0.179469 -0.080448 0.069190 0.082682 28O 1f+3 0.118997 -0.139079 0.079725 -0.019651 0.152234 0.118299 28O 1f-3 -0.058572 -0.165621 -0.127852 0.088708 -0.068026 -0.097780 29O 1s -0.000404 0.000089 0.000044 0.000641 -0.000108 -0.000202 29O 2s -0.001047 0.000187 0.000428 0.002360 -0.000348 -0.000598 29O 3s 0.004174 0.000488 -0.008961 -0.036010 0.003482 0.004169 29O 4s -0.008400 -0.003770 -0.024449 0.030328 -0.009827 -0.015622 29O 5s 0.093894 -0.016215 0.283794 0.404442 0.018992 0.076243 29O 1pz 0.007148 0.000296 -0.000859 -0.002616 0.000241 -0.002482 29O 1px -0.005449 0.005307 0.011875 0.024714 -0.000257 0.000252 29O 1py 0.002911 -0.000570 0.010679 0.018790 -0.000123 0.001426 29O 2pz -0.023078 -0.000738 -0.009953 -0.024081 -0.001142 0.004857 29O 2px 0.020851 -0.015164 -0.008232 -0.009504 0.000925 0.005208 29O 2py -0.017087 0.004954 -0.046452 -0.091647 0.000333 -0.007999 29O 3pz 0.016151 0.011957 0.005552 -0.033343 0.001215 -0.066461 29O 3px 0.000687 0.002553 -0.030262 0.025109 -0.006085 -0.030425 29O 3py -0.036463 0.005019 -0.105843 -0.229114 -0.003454 -0.023200 29O 1dz2 -0.007298 0.000267 -0.040464 -0.087683 -0.000078 -0.019382 29O 1dxz -0.004409 -0.000675 -0.034306 -0.071768 0.000174 0.023639 29O 1dyz 0.007804 -0.000797 0.017050 0.032261 0.000228 0.022974 29O 1dx2y2 -0.002414 -0.002114 0.006421 0.022493 0.000487 0.012608 29O 1dxy -0.009056 0.007139 -0.024186 -0.033968 0.000190 0.005940 29O 2dz2 -0.000445 0.001301 -0.016996 -0.022901 0.000081 -0.002199 29O 2dxz -0.001570 -0.001474 -0.016301 -0.019530 -0.000280 0.004247 29O 2dyz 0.005657 -0.000701 0.007985 0.018797 0.000272 0.007462 29O 2dx2y2 -0.004353 0.000636 0.007447 -0.000723 0.000342 0.001723 29O 2dxy -0.007383 0.004064 -0.007617 -0.018264 0.000113 -0.000319 29O 1f0 0.017578 -0.007862 0.037690 0.078448 0.000395 0.024300 29O 1f+1 -0.026326 0.004903 -0.051671 -0.107041 0.002684 -0.048612 29O 1f-1 0.000040 0.000248 0.040282 0.072454 0.000495 0.004730 29O 1f+2 0.024869 -0.012918 0.118799 0.229088 0.000579 0.073778 29O 1f-2 0.045980 -0.024488 0.110538 0.205734 -0.000269 -0.011841 29O 1f+3 0.087529 -0.032321 0.279943 0.535089 -0.001205 -0.008232 29O 1f-3 0.063328 -0.036841 0.075954 0.142361 -0.000171 0.027710 30O 1s 0.000634 0.000120 -0.000510 0.001092 -0.000080 0.000276 30O 2s 0.002196 0.000689 -0.000604 0.004329 -0.000291 0.001667 30O 3s -0.020580 -0.013124 -0.021107 -0.063103 0.006440 -0.036748 30O 4s 0.052085 0.056451 0.187562 0.245729 -0.033623 0.156356 30O 5s -0.675710 -0.315713 -0.122926 -0.027652 0.001655 0.168846 30O 1pz 0.001984 0.005080 0.010968 -0.005155 0.000202 0.001363 30O 1px 0.003112 0.004930 0.007171 -0.008697 0.002437 -0.004564 30O 1py -0.005013 -0.003627 -0.018283 0.007801 0.000372 -0.006411 30O 2pz 0.033785 -0.014736 -0.078749 -0.008350 0.035197 -0.084039 30O 2px -0.031110 -0.012369 0.047194 0.088087 -0.014322 0.072355 30O 2py -0.031626 -0.004415 0.117812 0.007689 0.009013 0.044047 30O 3pz -0.016669 0.002166 -0.014844 -0.037153 -0.033680 0.000378 30O 3px -0.189249 -0.067179 -0.039779 -0.013484 -0.003638 0.102778 30O 3py 0.045667 0.105179 0.027967 -0.002525 -0.020036 0.110516 30O 1dz2 -0.011183 0.026513 0.005333 0.003478 0.049882 -0.054205 30O 1dxz -0.015669 0.000792 0.006605 -0.002021 -0.007701 0.012334 30O 1dyz 0.033229 -0.003236 -0.011338 0.017250 -0.017838 0.012294 30O 1dx2y2 0.010574 0.025467 -0.005583 -0.003911 0.022847 -0.022234 30O 1dxy 0.020037 0.003601 -0.015799 0.006402 -0.016672 0.009085 30O 2dz2 0.001480 0.007908 -0.006296 -0.008197 -0.016345 0.012868 30O 2dxz 0.001097 -0.003495 -0.023302 -0.005020 0.020061 -0.040837 30O 2dyz 0.013567 -0.000139 -0.004715 -0.010424 0.001587 -0.018849 30O 2dx2y2 0.000207 0.007804 0.011265 -0.003396 -0.007342 0.016378 30O 2dxy -0.001364 0.004983 0.036994 0.010009 0.010545 0.005471 30O 1f0 0.217568 0.012049 -0.175918 0.036987 -0.150763 0.168544 30O 1f+1 0.096520 0.160056 -0.136177 0.058092 -0.018879 -0.009488 30O 1f-1 0.056973 -0.189941 0.088020 0.006413 0.253043 -0.265342 30O 1f+2 0.081248 0.117922 -0.093111 0.033436 0.084241 -0.105921 30O 1f-2 0.247180 -0.062076 -0.122812 0.060929 -0.003566 -0.004581 30O 1f+3 0.019529 -0.155326 0.035412 0.013210 -0.082105 0.084753 30O 1f-3 -0.173245 -0.001483 0.090070 -0.070990 -0.158157 0.214421 31O 1s 0.000637 0.000112 -0.000509 -0.001129 0.000085 0.000263 31O 2s 0.002211 0.000655 -0.000597 -0.004460 0.000320 0.001621 31O 3s -0.020816 -0.012551 -0.021192 0.064754 -0.007004 -0.036069 31O 4s 0.052597 0.054328 0.187586 -0.251582 0.035676 0.153628 31O 5s -0.674734 -0.318033 -0.121793 0.034913 0.001629 0.169305 31O 1pz -0.002024 -0.005066 -0.011028 -0.005295 0.000125 -0.001494 31O 1px -0.003114 -0.005048 -0.006996 -0.008704 0.002470 0.004461 31O 1py 0.004997 0.003621 0.018176 0.007745 0.000442 0.006478 31O 2pz -0.033429 0.014186 0.079054 -0.008856 0.036183 0.083830 31O 2px 0.030956 0.013479 -0.047875 0.089142 -0.015185 -0.071364 31O 2py 0.031428 0.004888 -0.117459 0.007925 0.008280 -0.044090 31O 3pz 0.016368 -0.002707 0.012728 -0.040163 -0.032367 -0.001158 31O 3px 0.189025 0.068180 0.039964 -0.013875 -0.005672 -0.102424 31O 3py -0.046313 -0.104535 -0.026484 0.001550 -0.021723 -0.109488 31O 1dz2 -0.011105 0.026523 0.005358 -0.003080 -0.050223 -0.053650 31O 1dxz -0.015620 0.000781 0.006637 0.001924 0.007668 0.012170 31O 1dyz 0.033108 -0.003280 -0.011446 -0.017895 0.017948 0.011964 31O 1dx2y2 0.010631 0.025459 -0.005552 0.003999 -0.022978 -0.021981 31O 1dxy 0.020005 0.003560 -0.015674 -0.006694 0.016599 0.008875 31O 2dz2 0.001497 0.007983 -0.006256 0.008038 0.016385 0.012817 31O 2dxz 0.000993 -0.003243 -0.023295 0.005677 -0.020488 -0.040551 31O 2dyz 0.013337 0.000037 -0.004906 0.010305 -0.001916 -0.018778 31O 2dx2y2 0.000141 0.007693 0.011222 0.002875 0.007460 0.016228 31O 2dxy -0.001212 0.004767 0.036886 -0.010283 -0.010384 0.005439 31O 1f0 -0.216841 -0.011410 0.175372 0.038679 -0.151726 -0.166503 31O 1f+1 -0.096181 -0.159545 0.135824 0.059007 -0.018751 0.009953 31O 1f-1 -0.056488 0.189893 -0.087827 0.002939 0.254345 0.262525 31O 1f+2 -0.081053 -0.117596 0.092908 0.032789 0.084865 0.105349 31O 1f-2 -0.246229 0.062785 0.122424 0.061453 -0.003540 0.005086 31O 1f+3 -0.019046 0.155555 -0.035528 0.014002 -0.082549 -0.084096 31O 1f-3 0.172499 0.000946 -0.089807 -0.069673 -0.159534 -0.213193 32O 1s -0.000391 0.000091 0.000056 -0.000653 0.000111 -0.000200 32O 2s -0.001007 0.000196 0.000461 -0.002391 0.000357 -0.000593 32O 3s 0.003795 0.000356 -0.009227 0.036265 -0.003599 0.004154 32O 4s -0.007322 -0.003215 -0.023947 -0.030763 0.010283 -0.014947 32O 5s 0.091018 -0.017787 0.282901 -0.403921 -0.020057 0.072017 32O 1pz -0.007006 -0.000469 0.001065 -0.002950 0.000249 0.002444 32O 1px 0.005698 -0.005158 -0.011843 0.024628 -0.000226 -0.000144 32O 1py -0.003015 0.000534 -0.010732 0.018892 -0.000125 -0.001164 32O 2pz 0.022210 0.001275 0.008642 -0.021471 -0.001145 -0.005101 32O 2px -0.021464 0.014971 0.007895 -0.008631 0.000895 -0.005180 32O 2py 0.017321 -0.004885 0.046678 -0.092222 0.000350 0.007191 32O 3pz -0.016893 -0.011663 -0.008035 -0.028361 0.002113 0.065899 32O 3px -0.000979 -0.002483 0.029211 0.027045 -0.005986 0.029661 32O 3py 0.035044 -0.005983 0.105746 -0.229398 -0.004167 0.021965 32O 1dz2 -0.007262 0.000603 -0.041257 0.089313 -0.000021 -0.019331 32O 1dxz -0.004032 -0.000598 -0.033543 0.070018 0.000226 0.024039 32O 1dyz 0.007180 -0.000612 0.015145 -0.028635 0.000039 0.022623 32O 1dx2y2 -0.002375 -0.002163 0.006637 -0.022823 -0.000284 0.012073 32O 1dxy -0.009239 0.007175 -0.024862 0.035070 -0.000173 0.006419 32O 2dz2 -0.000734 0.001482 -0.017606 0.024073 -0.000014 -0.002136 32O 2dxz -0.001338 -0.001591 -0.016007 0.018922 0.000368 0.004394 32O 2dyz 0.005342 -0.000505 0.007213 -0.017495 -0.000175 0.007343 32O 2dx2y2 -0.004323 0.000528 0.007521 0.000657 -0.000312 0.001703 32O 2dxy -0.007612 0.004072 -0.008012 0.019019 -0.000080 -0.000130 32O 1f0 -0.017271 0.007879 -0.034506 0.072627 0.000383 -0.021908 32O 1f+1 0.027593 -0.005785 0.055195 -0.114072 0.002894 0.046429 32O 1f-1 -0.001675 0.001161 -0.046982 0.085520 0.000412 -0.008679 32O 1f+2 -0.025145 0.014191 -0.116634 0.225545 -0.000073 -0.074038 32O 1f-2 -0.042644 0.023278 -0.101959 0.188689 0.000171 0.013381 32O 1f+3 -0.086392 0.033070 -0.281878 0.537648 -0.000102 0.013430 32O 1f-3 -0.065442 0.036518 -0.079572 0.149318 -0.000459 -0.024357 33O 1s -0.000247 -0.000323 -0.000057 -0.000121 -0.000026 0.000352 33O 2s -0.001325 -0.001123 0.000397 -0.000925 -0.000047 0.001899 33O 3s 0.022579 0.009343 -0.021043 0.018212 0.001045 -0.033599 33O 4s -0.089892 -0.017685 0.156620 -0.077756 -0.003681 0.128276 33O 5s 0.590912 0.339407 -0.230267 -0.171805 0.002041 0.002376 33O 1pz 0.011307 -0.000372 -0.011529 -0.001029 -0.000930 -0.000331 33O 1px 0.006484 -0.001851 -0.004681 -0.007740 -0.000007 -0.000534 33O 1py 0.006831 0.004412 -0.009500 -0.007435 -0.000085 -0.002855 33O 2pz -0.008533 0.036281 0.076266 -0.021308 -0.015478 0.048736 33O 2px -0.021954 -0.014634 -0.025827 0.064126 -0.007432 -0.035586 33O 2py -0.004377 -0.004467 0.035098 0.027340 0.024235 -0.010618 33O 3pz -0.073344 -0.063716 0.088526 0.135106 0.023262 0.077215 33O 3px -0.106963 -0.098697 0.053632 -0.013687 0.013969 -0.094810 33O 3py -0.121246 -0.012432 0.052892 0.025489 -0.025557 0.073689 33O 1dz2 -0.001028 0.038935 -0.004169 -0.013458 0.044175 -0.030576 33O 1dxz 0.003317 0.014323 0.004193 -0.001585 0.005685 0.004145 33O 1dyz 0.030950 0.000803 0.019909 0.013477 -0.028248 0.027038 33O 1dx2y2 -0.016761 0.006402 -0.009343 0.002477 0.012489 -0.007350 33O 1dxy -0.004824 0.011383 -0.001478 0.007208 0.025142 -0.011780 33O 2dz2 0.001823 0.009696 -0.005701 -0.010262 -0.008912 0.009814 33O 2dxz 0.006158 -0.002604 -0.025584 0.005157 0.006870 -0.023729 33O 2dyz 0.009990 0.002078 -0.014676 -0.007030 0.011252 -0.003731 33O 2dx2y2 -0.007954 0.006956 0.012220 -0.002963 0.005948 0.009866 33O 2dxy 0.003109 0.000161 -0.006989 -0.002296 -0.017234 0.014566 33O 1f0 0.095255 -0.055728 0.029361 0.009627 0.289317 -0.212252 33O 1f+1 0.079537 -0.130576 0.024858 0.032319 0.009980 0.008500 33O 1f-1 -0.072291 -0.208418 -0.155816 -0.055412 -0.040491 0.034224 33O 1f+2 0.140229 -0.175900 0.046130 0.037141 0.069071 -0.056021 33O 1f-2 -0.123841 -0.160050 -0.179377 -0.079330 0.067803 -0.083627 33O 1f+3 -0.118847 0.139832 -0.079634 -0.019224 0.149965 -0.120119 33O 1f-3 0.059611 0.166301 0.127957 0.087511 -0.066641 0.098991 34O 1s 0.000227 0.000492 -0.000254 0.000293 -0.000086 -0.000334 34O 2s 0.000530 0.001921 -0.000239 0.001733 -0.000262 -0.001571 34O 3s 0.003628 -0.027101 -0.012920 -0.032407 0.000555 0.023069 34O 4s -0.028689 0.101433 0.131710 0.113840 0.001216 -0.082113 34O 5s -0.725584 -0.321836 -0.307486 0.296099 0.010418 -0.001743 34O 1pz -0.003228 -0.005347 -0.007025 0.006288 -0.002348 -0.003976 34O 1px 0.005569 -0.005216 -0.000112 -0.007623 0.000900 0.000128 34O 1py 0.003780 0.004598 0.014278 -0.008868 -0.000914 -0.001985 34O 2pz -0.007076 0.011874 0.026686 -0.027683 -0.018501 -0.014949 34O 2px -0.106902 0.022170 0.041105 0.099356 -0.002334 -0.036530 34O 2py 0.033901 -0.002374 -0.051400 0.021980 -0.019809 -0.015609 34O 3pz 0.145284 0.013149 0.098772 -0.087377 0.021126 0.049232 34O 3px -0.119619 -0.025391 -0.006839 -0.044469 0.004552 -0.073038 34O 3py -0.112309 -0.106863 -0.105952 0.070765 0.021541 0.074300 34O 1dz2 -0.009334 0.021146 -0.005578 0.009569 0.019976 0.019983 34O 1dxz -0.018647 0.010515 -0.006333 0.012606 0.042162 0.044752 34O 1dyz 0.033121 -0.002430 -0.004779 0.004038 -0.018691 -0.014690 34O 1dx2y2 0.013552 0.026810 -0.018683 0.004473 0.026414 0.030740 34O 1dxy 0.013051 0.014704 -0.008290 -0.004869 0.022888 0.020347 34O 2dz2 0.013424 0.002670 -0.007946 -0.012716 0.004329 0.012793 34O 2dxz -0.003982 -0.002119 -0.001376 0.003787 -0.020693 -0.021341 34O 2dyz 0.007867 0.004702 0.017470 -0.011444 0.002893 0.007982 34O 2dx2y2 -0.018045 0.016464 0.022353 0.014880 -0.004596 -0.015403 34O 2dxy 0.020328 0.001718 0.002601 -0.015104 -0.015228 -0.010774 34O 1f0 -0.210656 -0.188824 0.218317 -0.118546 -0.049817 -0.063243 34O 1f+1 -0.042102 0.006626 -0.003885 0.005510 0.216811 0.251554 34O 1f-1 -0.213359 0.222469 0.065384 -0.023113 -0.120972 -0.115195 34O 1f+2 -0.208589 -0.092733 0.170809 -0.060956 0.034426 0.043318 34O 1f-2 0.045053 0.061527 -0.011136 0.031766 -0.142306 -0.135577 34O 1f+3 0.015625 -0.039842 0.035187 0.004811 -0.180513 -0.212670 34O 1f-3 0.039336 -0.088090 -0.006928 0.017412 0.090302 0.108174 35O 1s -0.000852 -0.000166 -0.000647 0.000820 0.000203 -0.000536 35O 2s -0.003305 -0.000413 -0.000958 0.003328 0.000740 -0.002697 35O 3s 0.043115 -0.000673 -0.019347 -0.052398 -0.007699 0.046275 35O 4s -0.153304 0.010049 0.181521 0.213739 0.017821 -0.162199 35O 5s 0.641752 0.373757 -0.033513 0.011915 0.018504 -0.198188 35O 1pz 0.007644 0.003048 -0.018042 0.010484 -0.000416 0.001646 35O 1px 0.001299 -0.002631 -0.004855 0.001040 -0.002150 0.005727 35O 1py 0.004837 0.001830 -0.011709 0.005207 -0.002464 0.005627 35O 2pz -0.000172 0.012941 0.071218 -0.042749 0.018485 -0.027093 35O 2px 0.000383 0.050551 0.111746 0.064817 0.018042 -0.102021 35O 2py 0.005171 0.015813 0.089834 0.011124 -0.017358 -0.028284 35O 3pz -0.169079 -0.090685 0.035740 0.050421 -0.014498 -0.017451 35O 3px 0.062539 0.062758 -0.000648 0.042860 0.005113 -0.169360 35O 3py -0.109920 0.028786 0.032522 -0.002508 0.025734 -0.130058 35O 1dz2 0.005272 0.033948 0.015717 -0.011504 -0.025058 0.011299 35O 1dxz 0.003056 0.018233 0.004411 0.000987 -0.028627 0.028665 35O 1dyz 0.029142 0.007079 0.017125 -0.010749 0.005865 -0.010793 35O 1dx2y2 -0.019048 0.010004 -0.005274 -0.008102 -0.039370 0.028376 35O 1dxy 0.004505 -0.002357 -0.005416 -0.007182 0.023286 -0.014845 35O 2dz2 0.008297 -0.000325 -0.029754 -0.008118 -0.001831 0.016011 35O 2dxz 0.002684 0.007080 0.005816 -0.000807 0.014777 -0.013934 35O 2dyz 0.013449 0.003125 -0.009346 0.004381 0.005673 -0.011665 35O 2dx2y2 -0.010635 0.011170 0.023702 0.004660 0.017318 -0.036834 35O 2dxy -0.002403 0.011083 0.029402 0.013647 -0.015693 -0.011623 35O 1f0 0.134594 -0.232265 0.033725 0.007279 -0.074275 0.040710 35O 1f+1 0.120162 0.066147 0.160263 -0.046999 -0.196562 0.131745 35O 1f-1 -0.241833 -0.172120 -0.264950 0.092842 -0.077445 0.073599 35O 1f+2 0.060535 -0.108986 0.025104 0.039582 -0.161625 0.154801 35O 1f-2 0.085240 -0.067122 0.032726 -0.018267 0.066599 -0.078559 35O 1f+3 -0.037465 -0.069796 -0.071249 0.029160 0.111090 -0.074583 35O 1f-3 0.010659 0.055172 0.026843 -0.012847 0.128774 -0.108377 636 637 638 639 640 641 5.31435 5.38780 5.40787 5.41139 5.44060 5.44763 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s 0.000256 0.000049 -0.000687 0.000328 -0.000175 -0.000021 0Rh 2s -0.001919 -0.000464 0.005102 -0.002643 0.001386 0.000142 0Rh 3s 0.000402 0.000019 -0.001119 0.000410 -0.000235 -0.000043 0Rh 4s 0.011551 0.002809 -0.031206 0.016110 -0.008423 -0.000871 0Rh 5s -0.028817 -0.007719 0.081495 -0.043114 0.021909 0.002161 0Rh 6s 0.029189 0.010636 -0.093440 0.054591 -0.024917 -0.002336 0Rh 7s -0.095991 -0.010545 0.197686 -0.061270 0.043031 0.021500 0Rh 8s 0.034276 0.040480 -0.069209 0.148944 0.023656 -0.013293 0Rh 1pz -0.001179 0.002655 -0.005778 0.003238 -0.017872 -0.008513 0Rh 1px 0.008039 -0.001500 0.015812 -0.008504 -0.006349 -0.006634 0Rh 1py -0.021302 -0.001465 0.002612 -0.005857 0.000236 0.000900 0Rh 2pz 0.004855 -0.010911 0.023805 -0.013371 0.073496 0.034890 0Rh 2px -0.033060 0.006231 -0.065182 0.035114 0.026177 0.027288 0Rh 2py 0.087759 0.006006 -0.010707 0.024074 -0.000963 -0.003685 0Rh 3pz -0.015016 0.033136 -0.073519 0.041704 -0.224360 -0.104331 0Rh 3px 0.101474 -0.020162 0.201866 -0.109462 -0.081284 -0.083492 0Rh 3py -0.272415 -0.017991 0.032158 -0.073489 0.002811 0.010970 0Rh 4pz 0.018724 -0.037943 0.088081 -0.050279 0.262848 0.116356 0Rh 4px -0.122944 0.026241 -0.243309 0.131617 0.099091 0.098887 0Rh 4py 0.337231 0.020183 -0.036922 0.086771 -0.002922 -0.011942 0Rh 5pz -0.014829 0.012442 -0.037914 0.018156 -0.106799 -0.032027 0Rh 5px 0.074676 -0.011290 0.107027 -0.045958 -0.044637 -0.045491 0Rh 5py -0.194874 -0.006138 0.014752 -0.036719 0.000721 0.002496 0Rh 6pz 0.109291 0.055410 -0.060029 0.134778 -0.348199 -0.584097 0Rh 6px -0.241708 -0.103559 0.123195 -0.356052 -0.198956 -0.135891 0Rh 6py 0.569703 -0.059702 0.168197 -0.173900 0.013107 0.033669 0Rh 1dz2 -0.001730 -0.008447 -0.001496 0.003569 -0.004214 -0.002873 0Rh 1dxz -0.004075 -0.003675 -0.001962 0.002227 0.010222 0.007988 0Rh 1dyz 0.000891 0.004680 0.002782 -0.004154 0.006645 0.005181 0Rh 1dx2y2 0.007597 -0.006993 0.001641 0.000353 0.002541 0.002053 0Rh 1dxy -0.000071 0.001389 -0.008276 0.008033 0.001282 0.000728 0Rh 2dz2 0.000056 -0.002127 0.000263 0.000505 0.001274 0.000943 0Rh 2dxz 0.000451 -0.000851 0.000421 0.000289 -0.002186 -0.001597 0Rh 2dyz -0.000230 0.001046 -0.000534 0.000531 -0.000745 -0.000301 0Rh 2dx2y2 -0.000688 -0.001664 -0.000416 0.000130 -0.000888 -0.000400 0Rh 2dxy -0.000365 -0.000651 0.001344 -0.001675 -0.000141 0.000153 0Rh 3dz2 0.007932 0.050146 0.005826 -0.019404 0.014120 0.009270 0Rh 3dxz 0.017195 0.021483 0.007239 -0.011910 -0.038921 -0.030908 0Rh 3dyz -0.003168 -0.027175 -0.010846 0.017385 -0.028687 -0.023778 0Rh 3dx2y2 -0.032746 0.041068 -0.005674 -0.002403 -0.008005 -0.008030 0Rh 3dxy 0.002074 -0.003593 0.033460 -0.030671 -0.005548 -0.004305 0Rh 4dz2 -0.015565 -0.107592 -0.009263 0.040250 -0.021044 -0.013041 0Rh 4dxz -0.032073 -0.045960 -0.010455 0.023643 0.069159 0.054538 0Rh 4dyz 0.005322 0.058026 0.019344 -0.031968 0.056936 0.049171 0Rh 4dx2y2 0.061591 -0.087895 0.006633 0.006827 0.011333 0.014559 0Rh 4dxy -0.005807 0.004365 -0.062228 0.054243 0.011010 0.010337 0Rh 5dz2 0.022034 0.160768 0.003322 -0.057151 0.001995 -0.008255 0Rh 5dxz 0.039806 0.068741 -0.004350 -0.026733 -0.076616 -0.040667 0Rh 5dyz -0.003312 -0.088064 -0.017299 0.033718 -0.081383 -0.074796 0Rh 5dx2y2 -0.076833 0.134807 0.014238 -0.019170 0.007444 -0.011119 0Rh 5dxy 0.011358 0.001171 0.073669 -0.056679 -0.012900 -0.020906 0Rh 1f0 -0.010140 -0.000160 0.002621 -0.005509 0.000523 -0.000563 0Rh 1f+1 0.000924 -0.000030 -0.001320 0.003097 -0.002478 -0.005838 0Rh 1f-1 -0.005176 -0.001384 0.000953 -0.000303 -0.004448 -0.001914 0Rh 1f+2 -0.001899 0.001148 -0.004668 0.004859 0.007952 0.003404 0Rh 1f-2 0.000104 0.001093 0.001742 -0.000066 0.000969 0.000475 0Rh 1f+3 0.001304 0.003838 -0.006691 0.006830 -0.002411 -0.004006 0Rh 1f-3 0.012614 0.000870 0.003801 0.001016 0.001538 -0.000783 1Rh 1s 0.000247 -0.000045 -0.000671 -0.000364 0.000178 -0.000031 1Rh 2s -0.001857 0.000432 0.004971 0.002910 -0.001410 0.000217 1Rh 3s 0.000383 -0.000013 -0.001099 -0.000469 0.000240 -0.000057 1Rh 4s 0.011174 -0.002615 -0.030407 -0.017748 0.008567 -0.001326 1Rh 5s -0.027857 0.007213 0.079346 0.047393 -0.022285 0.003356 1Rh 6s 0.028180 -0.010053 -0.090687 -0.059500 0.025350 -0.003742 1Rh 7s -0.094730 0.009459 0.195570 0.071378 -0.043978 0.024735 1Rh 8s 0.035326 -0.040643 -0.061237 -0.153693 -0.022948 -0.014557 1Rh 1pz 0.001176 0.002448 0.005747 0.003794 -0.017818 0.009008 1Rh 1px -0.008110 -0.001409 -0.015213 -0.009273 -0.006205 0.006667 1Rh 1py 0.021358 -0.001602 -0.002373 -0.006048 -0.000014 -0.000437 1Rh 2pz -0.004841 -0.010059 -0.023675 -0.015655 0.073274 -0.036924 1Rh 2px 0.033351 0.005857 0.062712 0.038286 0.025587 -0.027424 1Rh 2py -0.087991 0.006566 0.009727 0.024859 0.000063 0.001780 1Rh 3pz 0.014952 0.030563 0.073068 0.048694 -0.223721 0.110560 1Rh 3px -0.102315 -0.019001 -0.194214 -0.119358 -0.079464 0.083900 1Rh 3py 0.273106 -0.019684 -0.029175 -0.075852 -0.000269 -0.005132 1Rh 4pz -0.018595 -0.035003 -0.087487 -0.058534 0.262190 -0.123702 1Rh 4px 0.123783 0.024837 0.234213 0.143754 0.096898 -0.099348 1Rh 4py -0.337988 0.022122 0.033400 0.089488 0.000539 0.005054 1Rh 5pz 0.014631 0.011276 0.037915 0.021741 -0.106780 0.035127 1Rh 5px -0.074814 -0.010671 -0.103979 -0.051729 -0.043668 0.045561 1Rh 5py 0.195011 -0.006894 -0.013258 -0.037755 -0.000296 0.000347 1Rh 6pz -0.108568 0.058292 0.057728 0.142170 -0.337742 0.592544 1Rh 6px 0.242224 -0.101730 -0.095700 -0.358043 -0.192611 0.141077 1Rh 6py -0.565742 -0.059272 -0.160291 -0.187844 -0.003148 -0.024467 1Rh 1dz2 -0.001734 0.008396 -0.001415 -0.003790 0.004189 -0.003050 1Rh 1dxz -0.003997 0.003742 -0.001637 -0.002231 -0.010075 0.008243 1Rh 1dyz 0.000904 -0.004727 0.002271 0.004072 -0.006457 0.005249 1Rh 1dx2y2 0.007581 0.006984 0.001743 -0.000214 -0.002385 0.002002 1Rh 1dxy -0.000050 -0.001338 -0.007914 -0.008584 -0.001427 0.000967 1Rh 2dz2 0.000077 0.002135 0.000324 -0.000472 -0.001260 0.000978 1Rh 2dxz 0.000454 0.000844 0.000409 -0.000289 0.002158 -0.001659 1Rh 2dyz -0.000210 -0.001033 -0.000500 -0.000545 0.000730 -0.000300 1Rh 2dx2y2 -0.000697 0.001666 -0.000414 -0.000162 0.000861 -0.000401 1Rh 2dxy -0.000364 0.000652 0.001258 0.001759 0.000179 0.000097 1Rh 3dz2 0.007851 -0.049935 0.005162 0.020306 -0.014072 0.009952 1Rh 3dxz 0.016807 -0.021770 0.005744 0.011917 0.038347 -0.031849 1Rh 3dyz -0.003331 0.027337 -0.008542 -0.016915 0.027848 -0.024110 1Rh 3dx2y2 -0.032631 -0.041038 -0.006176 0.001907 0.007382 -0.007774 1Rh 3dxy 0.001971 0.003345 0.032134 0.032934 0.006061 -0.005195 1Rh 4dz2 -0.015263 0.107195 -0.007795 -0.041896 0.021045 -0.014219 1Rh 4dxz -0.031273 0.046493 -0.007597 -0.023538 -0.068151 0.056191 1Rh 4dyz 0.005796 -0.058301 0.014733 0.030812 -0.055238 0.049879 1Rh 4dx2y2 0.061286 0.087860 0.007695 -0.006170 -0.010171 0.013989 1Rh 4dxy -0.005589 -0.003859 -0.060027 -0.058537 -0.011830 0.011886 1Rh 5dz2 0.020857 -0.160272 0.001563 0.059144 -0.002472 -0.007402 1Rh 5dxz 0.038454 -0.069332 -0.007878 0.025741 0.075949 -0.042593 1Rh 5dyz -0.004802 0.088349 -0.010071 -0.030516 0.079026 -0.076012 1Rh 5dx2y2 -0.075848 -0.134847 0.012600 0.019975 -0.008684 -0.009757 1Rh 5dxy 0.010921 -0.001870 0.072337 0.062336 0.013036 -0.022286 1Rh 1f0 0.010175 -0.000138 -0.002352 -0.005659 0.000530 0.000620 1Rh 1f+1 -0.000957 0.000049 0.001270 0.003283 -0.002386 0.005940 1Rh 1f-1 0.005222 -0.001258 -0.000947 -0.000428 -0.004460 0.002155 1Rh 1f+2 0.001895 0.000998 0.004188 0.005061 0.007818 -0.003537 1Rh 1f-2 -0.000082 0.001133 -0.001672 -0.000130 0.000853 -0.000381 1Rh 1f+3 -0.001353 0.003844 0.006380 0.007239 -0.002306 0.004019 1Rh 1f-3 -0.012628 0.000933 -0.003937 0.000758 0.001420 0.000821 2C 1s 0.000478 0.000250 -0.000003 -0.000245 -0.001364 0.000320 2C 2s 0.000376 0.000245 -0.000124 -0.000434 -0.002004 -0.000083 2C 3s 0.018190 0.013833 0.019382 0.011668 0.005846 0.037792 2C 4s -0.090988 -0.079974 -0.123842 -0.054101 0.020273 -0.157746 2C 5s -0.039164 0.033663 0.156745 0.122546 0.018571 0.208514 2C 1pz 0.000589 0.000441 0.001753 0.004075 0.007880 0.001551 2C 1px 0.001757 0.000225 0.000022 0.000029 0.001247 0.005325 2C 1py 0.000912 0.001923 0.001659 0.000548 0.005410 0.003215 2C 2pz 0.031443 0.016239 -0.073622 -0.055163 0.011810 -0.035439 2C 2px -0.010705 -0.019153 -0.011868 -0.020181 0.003384 -0.037877 2C 2py -0.088538 -0.116287 -0.059096 0.003555 -0.001893 -0.047370 2C 3pz -0.058949 -0.043354 0.028782 0.038333 -0.010713 0.015405 2C 3px -0.013113 0.026352 0.010974 0.014899 0.017758 0.013384 2C 3py 0.041767 0.065992 0.035280 -0.002783 -0.001844 0.040247 2C 1dz2 -0.000668 -0.003066 0.000924 0.000743 0.014544 -0.002859 2C 1dxz -0.013139 -0.011165 -0.005008 -0.003075 0.003842 -0.000879 2C 1dyz -0.002015 -0.003909 -0.003279 0.002825 0.012532 -0.004025 2C 1dx2y2 -0.006176 -0.007636 0.001756 0.001553 -0.000433 -0.000389 2C 1dxy 0.006284 0.008705 -0.002162 -0.005392 0.002345 0.001497 2C 2dz2 -0.055040 -0.060829 -0.015822 0.000934 0.006781 -0.012656 2C 2dxz -0.042959 -0.019263 -0.014114 0.001318 0.017892 -0.005136 2C 2dyz 0.026601 0.003636 -0.019006 -0.020897 -0.006665 -0.019324 2C 2dx2y2 -0.030982 -0.031366 0.011324 0.003491 -0.000828 -0.011328 2C 2dxy 0.020680 0.036544 -0.011293 -0.014210 -0.003370 -0.008894 2C 1f0 -0.043602 -0.045687 0.003888 0.011147 0.013248 -0.007293 2C 1f+1 0.033487 0.032364 0.004069 -0.011932 0.012875 0.001341 2C 1f-1 0.028577 0.023445 0.001084 -0.005796 0.012849 -0.001454 2C 1f+2 0.019763 0.018902 0.000659 -0.009189 -0.004619 0.013885 2C 1f-2 -0.062112 -0.038107 -0.009200 0.005862 0.004768 -0.020479 2C 1f+3 -0.064686 -0.053173 -0.008345 0.008629 0.000302 -0.005162 2C 1f-3 -0.002470 -0.008266 0.001439 0.005054 -0.000637 0.001779 3C 1s -0.000072 0.000046 0.000201 0.000091 -0.001053 -0.000020 3C 2s -0.000083 0.000063 0.000005 0.000483 -0.001320 0.000209 3C 3s -0.015997 -0.002060 0.032519 -0.032040 -0.008974 -0.020579 3C 4s 0.078225 0.024932 -0.196432 0.164055 0.075206 0.088354 3C 5s -0.041138 -0.069642 0.163038 -0.185871 -0.095538 -0.047591 3C 1pz 0.001080 -0.000962 0.000678 -0.001169 0.000497 -0.004044 3C 1px -0.005301 0.000172 0.002252 -0.003304 0.004265 0.002731 3C 1py 0.000817 -0.000948 -0.003567 0.004709 -0.007478 0.004354 3C 2pz -0.033555 0.058365 -0.059417 0.028444 0.038762 0.050613 3C 2px 0.005803 0.050604 -0.042294 0.017862 -0.005241 0.005427 3C 2py -0.046256 0.041322 0.109269 -0.095676 -0.010404 -0.052354 3C 3pz 0.004688 -0.030434 0.023330 -0.007734 -0.029714 -0.018044 3C 3px 0.067290 -0.074045 0.018154 0.007295 0.001215 -0.009067 3C 3py 0.039803 -0.025617 -0.031236 0.040497 0.008317 -0.008719 3C 1dz2 -0.002766 0.003281 -0.000306 0.002607 0.001535 -0.001373 3C 1dxz 0.010278 -0.011315 0.001809 0.001736 0.006738 0.000314 3C 1dyz 0.000238 0.004569 0.005526 -0.003438 -0.014215 -0.001360 3C 1dx2y2 0.004662 -0.005374 0.006212 0.000008 -0.002321 -0.002691 3C 1dxy 0.001391 -0.005315 -0.000502 0.004665 -0.007697 -0.004326 3C 2dz2 -0.006193 -0.003968 0.012915 -0.006767 0.014309 -0.004740 3C 2dxz 0.049211 -0.042697 -0.001608 0.015858 0.013349 0.000085 3C 2dyz 0.000035 0.011164 0.029286 -0.036363 -0.009136 -0.020543 3C 2dx2y2 0.063343 -0.060124 0.027198 0.002897 -0.003700 -0.031799 3C 2dxy -0.051267 0.024470 0.015187 -0.015886 0.004457 0.007315 3C 1f0 0.038079 -0.042366 0.005866 0.011443 -0.001731 -0.015849 3C 1f+1 -0.031607 0.031186 -0.000455 -0.004782 0.010385 0.008992 3C 1f-1 -0.015425 0.031810 -0.003520 -0.010596 -0.010059 0.002633 3C 1f+2 -0.010462 0.019380 0.007794 -0.013145 -0.012233 -0.000981 3C 1f-2 0.007760 -0.025301 0.002263 0.003623 -0.015439 -0.002582 3C 1f+3 0.055809 -0.051612 0.005583 0.009712 0.007237 -0.011159 3C 1f-3 0.027548 -0.012001 0.006453 0.000045 0.000651 -0.007321 4C 1s 0.000097 -0.000163 0.000444 -0.000221 0.001752 -0.000483 4C 2s 0.000370 0.000047 0.001281 -0.000013 0.003566 -0.000266 4C 3s -0.022237 -0.021129 -0.033517 -0.029514 -0.044160 -0.091415 4C 4s 0.123679 0.101115 0.130923 0.143934 0.121506 0.441936 4C 5s 0.038261 0.011838 -0.031745 -0.061269 -0.073722 0.065789 4C 1pz 0.004650 0.002281 0.008077 0.004599 -0.004196 0.002028 4C 1px -0.020270 -0.002582 -0.002286 -0.002760 -0.011861 -0.008442 4C 1py -0.000479 0.002865 0.003539 0.001628 -0.008806 -0.001171 4C 2pz -0.061190 -0.019895 -0.056653 0.000771 0.004480 -0.037982 4C 2px 0.201572 -0.025142 -0.096738 -0.057513 0.150814 0.218063 4C 2py 0.006939 -0.042124 -0.066880 -0.021790 0.074878 0.056453 4C 3pz -0.073121 0.051763 0.112561 0.097048 0.017119 0.172448 4C 3px 0.102905 -0.010152 0.034005 0.003745 0.029695 -0.083221 4C 3py -0.042267 -0.006742 0.074190 0.064210 0.035052 0.066008 4C 1dz2 0.024692 0.019318 -0.004208 -0.006160 -0.024736 -0.002707 4C 1dxz -0.025014 -0.028980 -0.012268 -0.000848 -0.011294 0.003954 4C 1dyz -0.017900 -0.020047 -0.007271 -0.000283 -0.018840 0.006232 4C 1dx2y2 -0.043957 -0.033585 0.006054 0.017465 0.018244 0.005641 4C 1dxy 0.063655 0.050992 -0.004804 -0.010788 0.007007 0.005831 4C 2dz2 -0.023954 0.012201 0.054502 0.018622 -0.000585 -0.042780 4C 2dxz 0.011657 -0.021959 -0.025629 -0.033837 0.046895 0.014114 4C 2dyz 0.007691 0.018509 0.039115 0.035291 0.010335 0.028215 4C 2dx2y2 -0.020477 -0.026508 -0.020448 0.008129 0.014068 0.056657 4C 2dxy 0.039411 0.024953 -0.011271 -0.019375 0.041685 0.106999 4C 1f0 -0.070355 -0.053509 -0.015830 0.008205 -0.009294 -0.014924 4C 1f+1 0.074067 0.044814 0.011958 -0.001022 0.009211 -0.011636 4C 1f-1 0.025927 0.027193 -0.000589 -0.002652 0.024856 -0.016157 4C 1f+2 0.032851 0.036626 0.008656 0.008261 -0.030106 -0.003886 4C 1f-2 -0.020990 -0.032212 -0.003142 0.007597 0.018727 0.011582 4C 1f+3 -0.091239 -0.060028 -0.001008 0.032866 -0.005548 -0.035716 4C 1f-3 -0.039905 -0.019405 0.010563 0.003781 0.019330 -0.049142 5C 1s 0.000230 -0.000473 0.000533 0.000006 0.001319 0.000175 5C 2s 0.000345 -0.000774 0.001485 -0.000503 0.002576 -0.000147 5C 3s 0.004153 -0.008639 -0.048661 0.035206 -0.020472 0.075315 5C 4s 0.008309 0.058167 0.191780 -0.151408 0.028969 -0.375866 5C 5s 0.021305 0.085170 -0.053889 0.107223 -0.024207 -0.125029 5C 1pz -0.010059 -0.001392 0.003275 -0.001808 -0.004697 0.001150 5C 1px 0.030123 -0.003955 0.010393 -0.005392 0.003278 -0.007580 5C 1py 0.007315 0.001420 -0.006629 0.005450 0.008829 -0.000257 5C 2pz 0.096644 0.034678 -0.086114 0.046048 0.041520 -0.057234 5C 2px -0.268521 -0.001794 0.004016 0.010578 -0.057504 0.153399 5C 2py -0.082384 -0.032760 0.116904 -0.082316 -0.079904 0.043291 5C 3pz 0.029456 -0.003525 0.063152 -0.062116 -0.002240 -0.019309 5C 3px -0.174902 0.025447 -0.008310 -0.053713 -0.031275 -0.096215 5C 3py -0.018108 0.031321 -0.102884 0.093046 -0.002035 0.061877 5C 1dz2 -0.019988 0.027858 -0.003064 -0.003668 -0.007347 0.000280 5C 1dxz 0.040028 -0.047810 -0.005021 0.016868 -0.015701 0.005364 5C 1dyz -0.006014 -0.001618 0.008608 -0.004687 0.014340 0.005918 5C 1dx2y2 -0.003719 -0.009185 0.010901 -0.010319 0.015638 0.002005 5C 1dxy 0.033577 -0.041310 -0.000173 0.003711 0.012199 -0.001110 5C 2dz2 0.004886 0.008953 -0.020118 0.018182 0.030058 0.036563 5C 2dxz 0.006708 -0.061913 0.040156 -0.008896 -0.008420 0.019918 5C 2dyz 0.007534 -0.011589 -0.041326 0.035924 -0.032824 0.060713 5C 2dx2y2 0.015913 -0.007970 -0.012726 0.025653 -0.009082 -0.021085 5C 2dxy 0.025667 0.022879 -0.057336 0.047331 0.027674 -0.054064 5C 1f0 0.033399 -0.053805 0.018879 0.002725 -0.018822 0.012065 5C 1f+1 -0.022697 0.043479 -0.010978 -0.010019 -0.008709 0.001619 5C 1f-1 -0.042536 0.028364 0.002448 -0.003933 0.012984 0.015652 5C 1f+2 -0.032368 0.028209 -0.005744 0.006710 -0.006802 -0.004740 5C 1f-2 0.064846 -0.030188 0.001612 0.013491 -0.009768 -0.047115 5C 1f+3 0.056770 -0.062989 -0.009695 0.024272 0.022964 -0.016459 5C 1f-3 -0.010918 -0.003469 -0.011094 0.006151 -0.033957 -0.013912 6C 1s 0.000221 0.000477 0.000570 0.000051 -0.001317 0.000154 6C 2s 0.000340 0.000777 0.001504 0.000638 -0.002591 -0.000186 6C 3s 0.002428 0.008934 -0.044007 -0.039881 0.023374 0.075615 6C 4s 0.017123 -0.059632 0.168588 0.169965 -0.042898 -0.376499 6C 5s 0.024165 -0.084585 -0.052723 -0.111930 0.019865 -0.124606 6C 1pz 0.010026 -0.001393 -0.003275 -0.002054 -0.004761 -0.001293 6C 1px -0.030122 -0.003989 -0.010079 -0.006269 0.003563 0.007687 6C 1py -0.007398 0.001352 0.006468 0.006044 0.008894 0.000367 6C 2pz -0.097318 0.034383 0.084596 0.052507 0.044774 0.058920 6C 2px 0.268078 -0.000271 0.001533 0.016520 -0.065661 -0.155221 6C 2py 0.084272 -0.032218 -0.115487 -0.093289 -0.082487 -0.043851 6C 3pz -0.030797 -0.002385 -0.057748 -0.062857 -0.001782 0.019714 6C 3px 0.174555 0.026297 0.012755 -0.048252 -0.025054 0.095853 6C 3py 0.021142 0.030032 0.094604 0.094353 -0.004875 -0.061709 6C 1dz2 -0.020436 -0.027865 -0.003202 0.003695 0.007380 0.000027 6C 1dxz 0.040463 0.047965 -0.003915 -0.017146 0.015929 0.005305 6C 1dyz -0.006085 0.001530 0.008622 0.004953 -0.014155 0.005957 6C 1dx2y2 -0.003498 0.009106 0.010258 0.010506 -0.015635 0.001735 6C 1dxy 0.033923 0.041445 0.000804 -0.003676 -0.012366 -0.001275 6C 2dz2 0.004637 -0.008157 -0.016764 -0.019128 -0.029647 0.037195 6C 2dxz 0.005571 0.061534 0.041459 0.011274 0.010880 0.020312 6C 2dyz 0.006238 0.011274 -0.039477 -0.040703 0.035705 0.060574 6C 2dx2y2 0.017366 0.007444 -0.015073 -0.029083 0.009213 -0.020362 6C 2dxy 0.026715 -0.022127 -0.054691 -0.050319 -0.030619 -0.054757 6C 1f0 -0.033672 -0.053761 -0.019212 0.001235 -0.019912 -0.011807 6C 1f+1 0.023579 0.043373 0.011006 -0.009289 -0.008268 -0.000754 6C 1f-1 0.042659 0.028294 -0.001914 -0.004289 0.012710 -0.016652 6C 1f+2 0.032497 0.028161 0.005227 0.006590 -0.006229 0.004265 6C 1f-2 -0.065518 -0.030254 -0.002296 0.013245 -0.008091 0.046861 6C 1f+3 -0.057054 -0.063066 0.006779 0.025406 0.023267 0.016570 6C 1f-3 0.010636 -0.003384 0.011468 0.006495 -0.033559 0.014539 7C 1s 0.000099 0.000159 0.000442 0.000214 -0.001771 -0.000404 7C 2s 0.000387 -0.000052 0.001294 0.000030 -0.003583 -0.000119 7C 3s -0.024168 0.021103 -0.033803 0.028324 0.041564 -0.092060 7C 4s 0.132804 -0.100712 0.131583 -0.137621 -0.108370 0.440829 7C 5s 0.036654 -0.010592 -0.039667 0.066489 0.074909 0.062767 7C 1pz -0.004607 0.002449 -0.008706 0.004719 -0.004181 -0.001771 7C 1px 0.020285 -0.003035 0.002780 -0.002600 -0.011849 0.008881 7C 1py 0.000420 0.002853 -0.003745 0.001749 -0.008880 0.001487 7C 2pz 0.059593 -0.020901 0.064572 -0.006552 0.004410 0.037636 7C 2px -0.199318 -0.024271 0.089370 -0.051456 0.148730 -0.223152 7C 2py -0.006136 -0.042957 0.069082 -0.023772 0.074437 -0.058263 7C 3pz 0.071787 0.050842 -0.116745 0.086046 0.012211 -0.170744 7C 3px -0.104353 -0.007398 -0.035628 0.000939 0.028804 0.082156 7C 3py 0.042229 -0.006518 -0.078968 0.058025 0.032383 -0.065889 7C 1dz2 0.024834 -0.019365 -0.005078 0.005849 0.024691 -0.003571 7C 1dxz -0.025577 0.029250 -0.011657 -0.000265 0.011359 0.003485 7C 1dyz -0.018048 0.020094 -0.007449 -0.000214 0.019138 0.005297 7C 1dx2y2 -0.044015 0.033695 0.007265 -0.016794 -0.018239 0.006338 7C 1dxy 0.064106 -0.050961 -0.005409 0.010621 -0.006884 0.006082 7C 2dz2 -0.023729 -0.012983 0.055154 -0.017337 -0.000176 -0.043051 7C 2dxz 0.009204 0.023433 -0.022405 0.028349 -0.047380 0.015436 7C 2dyz 0.008777 -0.019098 0.042090 -0.035994 -0.009666 0.028755 7C 2dx2y2 -0.020079 0.027051 -0.021639 -0.006542 -0.012607 0.055630 7C 2dxy 0.038655 -0.023438 -0.010969 0.017895 -0.038885 0.107971 7C 1f0 0.070719 -0.053765 0.014781 0.009134 -0.008627 0.014387 7C 1f+1 -0.074515 0.045481 -0.011984 -0.001944 0.009383 0.010474 7C 1f-1 -0.026035 0.026803 0.001304 -0.003404 0.024640 0.015041 7C 1f+2 -0.033562 0.036537 -0.008010 0.007977 -0.030902 0.005037 7C 1f-2 0.020998 -0.031446 0.002104 0.007264 0.019142 -0.012210 7C 1f+3 0.091497 -0.060091 -0.000498 0.033123 -0.004873 0.035766 7C 1f-3 0.040218 -0.019719 -0.010848 0.003683 0.020165 0.048686 8C 1s -0.000076 -0.000046 0.000198 -0.000053 0.001055 -0.000005 8C 2s -0.000087 -0.000060 0.000029 -0.000463 0.001330 0.000230 8C 3s -0.015996 0.001856 0.030295 0.035464 0.008337 -0.020479 8C 4s 0.078670 -0.024094 -0.186810 -0.184725 -0.072653 0.087433 8C 5s -0.039796 0.067333 0.148585 0.192465 0.092806 -0.048084 8C 1pz -0.001068 -0.000974 -0.000618 -0.001249 0.000619 0.004119 8C 1px 0.005219 0.000155 -0.001966 -0.003622 0.004184 -0.002709 8C 1py -0.000766 -0.000988 0.003335 0.004993 -0.007604 -0.004324 8C 2pz 0.034621 0.060092 0.058520 0.034243 0.037528 -0.051413 8C 2px -0.005106 0.050035 0.041195 0.023251 -0.005493 -0.005656 8C 2py 0.046494 0.042363 -0.104639 -0.106674 -0.008510 0.051547 8C 3pz -0.006091 -0.031532 -0.021952 -0.008580 -0.028845 0.018651 8C 3px -0.067227 -0.072995 -0.019187 0.006042 0.000837 0.008947 8C 3py -0.039930 -0.026470 0.028205 0.041154 0.007908 0.009037 8C 1dz2 -0.002691 -0.003200 -0.000120 -0.002577 -0.001616 -0.001107 8C 1dxz 0.010460 0.011429 0.001878 -0.001771 -0.006664 0.000346 8C 1dyz 0.000234 -0.004632 0.005130 0.004144 0.014155 -0.001465 8C 1dx2y2 0.004793 0.005453 0.006071 0.000571 0.002235 -0.002480 8C 1dxy 0.001467 0.005391 -0.000122 -0.004529 0.007577 -0.004276 8C 2dz2 -0.005153 0.004631 0.012700 0.007778 -0.014534 -0.004419 8C 2dxz 0.049903 0.043160 -0.000774 -0.016774 -0.013212 0.000136 8C 2dyz -0.000398 -0.012179 0.027235 0.039235 0.008423 -0.020731 8C 2dx2y2 0.063760 0.060287 0.028089 -0.000519 0.003187 -0.031489 8C 2dxy -0.050316 -0.023222 0.014142 0.017906 -0.004541 0.007265 8C 1f0 -0.038536 -0.042475 -0.006670 0.011044 -0.001486 0.015830 8C 1f+1 0.031920 0.031154 0.000821 -0.004860 0.010284 -0.009395 8C 1f-1 0.015773 0.031959 0.004302 -0.010332 -0.009991 -0.002117 8C 1f+2 0.010754 0.019488 -0.006625 -0.013935 -0.012106 0.000900 8C 1f-2 -0.007873 -0.025286 -0.002442 0.002951 -0.015687 0.002677 8C 1f+3 -0.056144 -0.051684 -0.006401 0.009848 0.007200 0.011490 8C 1f-3 -0.027773 -0.012118 -0.006510 -0.000350 0.000828 0.007071 9C 1s 0.000476 -0.000250 -0.000014 0.000217 0.001370 0.000263 9C 2s 0.000366 -0.000241 -0.000145 0.000403 0.001997 -0.000166 9C 3s 0.018906 -0.014028 0.020385 -0.012402 -0.004788 0.037866 9C 4s -0.093941 0.081076 -0.130046 0.059531 -0.024668 -0.156208 9C 5s -0.036419 -0.034282 0.164750 -0.115768 -0.010865 0.206378 9C 1pz -0.000714 0.000418 -0.001991 0.004050 0.007754 -0.001866 9C 1px -0.001787 0.000250 -0.000056 -0.000108 0.001267 -0.005429 9C 1py -0.000933 0.001986 -0.001732 0.000525 0.005461 -0.003440 9C 2pz -0.030585 0.016561 0.078862 -0.058279 0.013603 0.034125 9C 2px 0.008491 -0.016644 0.013145 -0.020711 0.003638 0.037565 9C 2py 0.090252 -0.118345 0.059804 0.002373 -0.000630 0.047521 9C 3pz 0.058752 -0.043135 -0.031568 0.036513 -0.011612 -0.014525 9C 3px 0.016073 0.022755 -0.011406 0.015423 0.017830 -0.012949 9C 3py -0.042776 0.066562 -0.034519 -0.004938 -0.002868 -0.039609 9C 1dz2 -0.000750 0.003098 0.000944 -0.000377 -0.014566 -0.002439 9C 1dxz -0.013277 0.011395 -0.005013 0.002937 -0.003855 -0.000714 9C 1dyz -0.002179 0.003983 -0.003143 -0.002466 -0.012819 -0.003345 9C 1dx2y2 -0.006392 0.007837 0.001948 -0.001669 0.000496 -0.000608 9C 1dxy 0.006446 -0.008648 -0.002450 0.005427 -0.002303 0.001683 9C 2dz2 -0.055570 0.060346 -0.015391 -0.000111 -0.007832 -0.012669 9C 2dxz -0.045560 0.022232 -0.014143 -0.002511 -0.017570 -0.005095 9C 2dyz 0.026058 -0.003179 -0.021182 0.022084 0.005935 -0.019115 9C 2dx2y2 -0.033100 0.033106 0.012140 -0.004518 0.000550 -0.012058 9C 2dxy 0.019456 -0.035088 -0.012455 0.013376 0.003344 -0.009180 9C 1f0 0.044619 -0.045916 -0.004882 0.010891 0.013662 0.007351 9C 1f+1 -0.034399 0.032532 -0.003277 -0.012450 0.012522 -0.001876 9C 1f-1 -0.028448 0.023314 -0.000590 -0.006534 0.012986 0.000814 9C 1f+2 -0.020185 0.018861 -0.000204 -0.008828 -0.005262 -0.013660 9C 1f-2 0.061729 -0.038045 0.008636 0.006267 0.005154 0.020168 9C 1f+3 0.065473 -0.053580 0.007503 0.009270 0.000759 0.005403 9C 1f-3 0.002794 -0.008448 -0.001669 0.004809 -0.000426 -0.002118 10H 1s 0.005095 0.010612 -0.003262 -0.007013 -0.004438 0.010991 10H 2s 0.012185 0.018524 -0.015829 0.008487 0.013216 0.029401 10H 3s -0.024111 -0.032063 -0.008823 -0.015832 -0.028256 -0.024555 10H 1pz 0.000570 0.001655 -0.001365 0.000869 0.001726 0.008222 10H 1px -0.010200 -0.011724 0.005554 0.003705 0.001134 -0.009767 10H 1py -0.013495 -0.011647 -0.000354 0.004009 0.001630 0.003270 11H 1s 0.039442 0.026759 0.003644 -0.007652 -0.006465 0.010545 11H 2s 0.082364 0.074836 0.000868 -0.026294 -0.002966 0.002157 11H 3s -0.054408 -0.051654 -0.012272 0.019169 0.006521 -0.038045 11H 1pz 0.009085 0.011073 0.000852 -0.001767 0.000434 0.002822 11H 1px 0.022468 0.018213 0.001893 -0.006428 -0.002612 0.003572 11H 1py -0.040602 -0.031463 -0.001061 0.009131 0.002681 -0.007475 12H 1s -0.037423 -0.036502 -0.000223 0.007834 -0.000269 0.001121 12H 2s -0.047781 -0.085096 -0.001295 0.013499 0.002967 -0.013512 12H 3s 0.050895 0.074378 0.004382 -0.020451 0.009280 -0.004183 12H 1pz 0.043584 0.038600 0.006464 -0.007333 0.003775 0.005680 12H 1px -0.007853 -0.014605 0.000312 0.001939 -0.002014 -0.001708 12H 1py -0.015354 -0.025910 0.001213 0.006507 0.002025 0.000274 13H 1s 0.018730 -0.016787 0.005595 -0.004500 -0.006242 0.000018 13H 2s -0.008845 -0.011961 0.002202 0.000326 0.013556 0.008761 13H 3s -0.012836 0.039677 -0.007483 0.006455 -0.002729 0.007061 13H 1pz -0.009438 0.003465 0.003570 -0.005311 0.001619 0.004796 13H 1px -0.016684 0.020300 -0.000284 -0.003421 0.003275 0.001752 13H 1py 0.009498 -0.004823 -0.004211 0.004077 -0.002955 -0.004496 14H 1s -0.042391 0.037347 -0.003058 -0.009160 -0.010531 0.010816 14H 2s -0.051469 0.071885 -0.007286 -0.028421 0.001621 -0.000771 14H 3s 0.043770 -0.064680 -0.006174 0.042730 0.005089 -0.012078 14H 1pz -0.005171 0.006507 0.000676 -0.005552 -0.000669 -0.002487 14H 1px -0.025840 0.029652 -0.001898 -0.009294 -0.004161 0.003663 14H 1py -0.031631 0.035907 -0.005631 -0.006118 -0.000834 0.010749 15H 1s 0.012722 -0.020274 0.003476 0.006294 -0.005567 -0.001874 15H 2s 0.030110 -0.061898 -0.001812 0.020223 -0.000034 -0.012905 15H 3s -0.022983 0.044107 -0.011543 0.002130 0.033690 0.024563 15H 1pz -0.018556 0.026347 -0.000813 -0.009123 0.001799 0.005260 15H 1px -0.004814 0.004026 0.000061 -0.000742 -0.001552 -0.000007 15H 1py -0.001729 0.013505 -0.001977 -0.001368 0.000050 0.002524 16H 1s 0.013137 0.004636 -0.018483 0.015006 -0.010961 -0.015596 16H 2s -0.139033 -0.011433 0.044754 -0.044744 0.058147 0.045007 16H 3s 0.005685 0.006199 -0.013528 0.015256 -0.021549 -0.026228 16H 1pz -0.042488 -0.007406 0.044925 -0.041197 -0.031757 -0.036051 16H 1px -0.011154 0.034191 -0.153690 0.137245 0.162415 0.168245 16H 1py 0.023282 0.021795 -0.120472 0.108595 0.098120 0.081889 17H 1s 0.014399 0.007398 -0.021128 0.015777 0.005189 0.013899 17H 2s -0.140525 -0.010363 0.036864 -0.039387 -0.022714 -0.010635 17H 3s 0.003621 0.005530 -0.014258 0.015232 0.019796 0.019914 17H 1pz 0.043466 -0.018657 0.051485 -0.047782 0.049571 0.054898 17H 1px 0.020915 0.041050 -0.153845 0.145436 -0.144331 -0.157069 17H 1py 0.019346 0.029687 -0.122982 0.112655 -0.098436 -0.083794 18H 1s 0.014076 -0.007682 -0.019664 -0.015995 -0.005261 0.014626 18H 2s -0.138547 0.011161 0.037151 0.043925 0.019033 -0.008254 18H 3s 0.003747 -0.005736 -0.013197 -0.016014 -0.018835 0.020083 18H 1pz -0.042702 -0.018795 -0.050372 -0.052428 0.049539 -0.057429 18H 1px -0.020145 0.040346 0.145085 0.153522 -0.141858 0.162082 18H 1py -0.020062 0.028989 0.114710 0.117022 -0.095993 0.085199 19H 1s 0.012969 -0.004051 -0.018024 -0.016725 0.011269 -0.016537 19H 2s -0.137298 0.010805 0.040869 0.044962 -0.058766 0.046300 19H 3s 0.005348 -0.005655 -0.012403 -0.015741 0.020868 -0.026306 19H 1pz 0.042444 -0.007577 -0.044363 -0.045472 -0.031774 0.037425 19H 1px 0.010494 0.032996 0.144879 0.145661 0.157877 -0.170637 19H 1py -0.022415 0.021096 0.115642 0.117805 0.095772 -0.082937 20H 1s 0.013099 0.020761 0.003813 -0.006073 0.005620 -0.001822 20H 2s 0.030675 0.063318 -0.000333 -0.020348 0.000096 -0.012845 20H 3s -0.023743 -0.044940 -0.010624 -0.003094 -0.033164 0.025259 20H 1pz 0.019178 0.027077 0.001381 -0.009193 0.001845 -0.005307 20H 1px 0.004790 0.003755 -0.000027 -0.000716 -0.001575 0.000028 20H 1py 0.001673 0.013638 0.002049 -0.001132 0.000028 -0.002383 21H 1s -0.042814 -0.037461 -0.003810 0.009133 0.010648 0.010801 21H 2s -0.052709 -0.072791 -0.009006 0.027900 -0.001796 -0.000111 21H 3s 0.044382 0.065031 -0.003057 -0.042940 -0.004997 -0.012383 21H 1pz 0.005670 0.007063 -0.000332 -0.005714 -0.000624 0.002335 21H 1px 0.026122 0.029693 0.002495 -0.009213 -0.004152 -0.003810 21H 1py 0.032010 0.036013 0.006253 -0.005870 -0.000944 -0.010835 22H 1s 0.018445 0.016321 0.005186 0.005096 0.006312 0.000037 22H 2s -0.008794 0.011186 0.001637 0.000019 -0.013190 0.008856 22H 3s -0.012456 -0.038600 -0.007345 -0.006976 0.002575 0.006992 22H 1pz 0.009551 0.003786 -0.003027 -0.005667 0.001492 -0.004835 22H 1px 0.016428 0.019818 0.000421 -0.003247 0.003382 -0.001652 22H 1py -0.009231 -0.004535 0.003832 0.004425 -0.002871 0.004454 23H 1s -0.037617 0.036340 0.000550 -0.007958 0.000172 0.000903 23H 2s -0.048519 0.086127 0.000044 -0.013760 -0.003375 -0.013955 23H 3s 0.050602 -0.074142 0.002527 0.021271 -0.009893 -0.003952 23H 1pz -0.043793 0.038597 -0.005761 -0.007632 0.003370 -0.005881 23H 1px 0.007346 -0.013930 -0.000536 0.001877 -0.001926 0.001778 23H 1py 0.015732 -0.026449 -0.001779 0.006601 0.002048 -0.000145 24H 1s 0.040645 -0.027738 0.003059 0.007933 0.006741 0.010683 24H 2s 0.083792 -0.076606 -0.001189 0.027028 0.002790 0.002677 24H 3s -0.056087 0.053188 -0.010538 -0.019867 -0.007894 -0.037832 24H 1pz -0.008777 0.011008 -0.000694 -0.001685 0.000494 -0.002825 24H 1px -0.023811 0.019385 -0.001401 -0.006851 -0.002721 -0.003789 24H 1py 0.041376 -0.032067 0.000271 0.009467 0.002888 0.007636 25H 1s 0.004204 -0.009648 -0.003808 0.006564 0.004845 0.010732 25H 2s 0.011775 -0.017468 -0.015192 -0.009121 -0.012976 0.030037 25H 3s -0.023114 0.030461 -0.009909 0.016492 0.027622 -0.025022 25H 1pz -0.001247 0.002106 0.001212 0.000794 0.001707 -0.008553 25H 1px 0.009091 -0.010540 -0.005822 0.003138 0.001371 0.009600 25H 1py 0.013232 -0.011471 -0.000121 0.003968 0.001678 -0.003259 26O 1s -0.000349 0.000333 0.000026 -0.000021 0.000069 0.000597 26O 2s -0.001605 0.001141 0.000352 0.000059 0.000043 0.001223 26O 3s 0.026552 -0.010736 -0.011849 -0.005091 -0.004118 0.013161 26O 4s -0.093561 0.023735 0.070033 0.037561 0.048313 -0.102970 26O 5s -0.054293 -0.018003 -0.025734 -0.046608 -0.356279 -0.418821 26O 1pz 0.001088 -0.010630 0.001680 -0.000029 -0.004179 -0.008308 26O 1px 0.000091 -0.004765 0.003618 -0.002787 -0.012568 -0.008530 26O 1py 0.006090 0.018208 0.001478 -0.004735 -0.010098 -0.009242 26O 2pz -0.024237 0.007638 -0.012744 0.003657 0.014949 0.045919 26O 2px 0.024399 0.002610 -0.040805 -0.001655 0.058418 0.144584 26O 2py 0.028338 -0.018812 -0.015712 -0.004924 0.048655 0.091417 26O 3pz 0.106953 0.020868 0.005727 -0.033506 -0.059128 -0.071539 26O 3px 0.177351 0.028879 0.016378 0.018935 0.065177 0.045419 26O 3py 0.036202 -0.027408 -0.018744 0.035545 -0.069655 -0.093836 26O 1dz2 -0.028602 0.011058 -0.004486 -0.012638 0.010968 -0.004033 26O 1dxz -0.022003 -0.013259 -0.003516 0.004361 0.000774 -0.000296 26O 1dyz 0.002730 -0.014971 -0.005844 0.003849 -0.022655 -0.008421 26O 1dx2y2 -0.042102 -0.018017 0.003727 -0.004434 0.000166 0.000853 26O 1dxy 0.026731 0.031110 -0.001370 -0.008935 -0.009264 0.000032 26O 2dz2 0.006343 0.004081 -0.005477 -0.002119 0.010549 0.025168 26O 2dxz 0.018121 0.016133 0.006892 0.001306 0.004437 -0.009707 26O 2dyz 0.000596 0.004075 -0.000379 0.002697 -0.001127 -0.005577 26O 2dx2y2 0.006848 0.013801 0.007661 -0.008302 -0.008383 -0.025846 26O 2dxy -0.030634 -0.012186 0.004636 0.008517 -0.014047 -0.036637 26O 1f0 0.077055 0.127624 0.003829 -0.033153 0.004133 0.022309 26O 1f+1 0.240890 0.180874 0.024795 -0.028662 0.025951 0.042288 26O 1f-1 0.101696 0.074081 0.017309 -0.015496 0.004203 0.024554 26O 1f+2 0.159695 0.187241 0.008073 -0.047809 -0.014830 -0.011232 26O 1f-2 -0.081322 -0.030673 0.009597 0.007414 0.046962 0.010426 26O 1f+3 -0.131799 -0.107907 -0.003466 0.027752 0.003476 -0.026435 26O 1f-3 -0.153300 -0.113559 -0.011875 0.023051 0.015029 -0.026439 27O 1s 0.000206 0.000167 -0.000058 -0.000175 -0.000120 0.000582 27O 2s 0.001375 0.000482 -0.000276 -0.000496 -0.000288 0.001715 27O 3s -0.028446 -0.001948 0.006064 0.003614 -0.007617 -0.014755 27O 4s 0.111783 -0.003788 -0.013018 -0.022340 0.084803 0.034282 27O 5s 0.007163 -0.001649 -0.094211 0.131388 -0.133195 -0.038536 27O 1pz 0.003715 -0.016707 -0.005352 0.009140 0.002700 -0.000573 27O 1px -0.001759 -0.001808 -0.002482 0.004585 -0.006330 0.001678 27O 1py -0.001833 -0.010477 0.003640 0.001536 0.003014 0.002607 27O 2pz 0.015134 0.015841 0.015223 -0.020655 -0.011675 -0.001015 27O 2px -0.045363 0.001346 0.036281 -0.033973 -0.008225 0.011535 27O 2py 0.031045 0.005258 -0.021206 0.009498 -0.012353 -0.018101 27O 3pz -0.085761 0.054658 -0.039454 0.037381 -0.001063 0.005640 27O 3px -0.143572 0.039392 -0.053839 0.070165 -0.059620 -0.128498 27O 3py 0.042812 0.008743 0.055900 -0.070533 0.123855 0.150450 27O 1dz2 0.009742 0.018479 0.011186 -0.010778 0.025587 0.001529 27O 1dxz 0.024964 -0.024204 -0.005661 0.011012 0.000012 -0.006257 27O 1dyz -0.022792 -0.001584 -0.002011 -0.004545 0.008912 0.006300 27O 1dx2y2 0.007338 0.000616 0.000996 0.002127 0.011109 0.005465 27O 1dxy 0.016010 -0.025248 0.009688 -0.004179 0.008182 0.007348 27O 2dz2 -0.011074 0.000698 0.007736 -0.005693 0.000321 0.002414 27O 2dxz -0.022306 0.018299 -0.004669 0.000942 0.002696 -0.001887 27O 2dyz -0.000189 -0.004417 0.000777 -0.002592 0.004838 0.004324 27O 2dx2y2 0.015106 0.005813 -0.007837 0.003943 0.012000 0.004758 27O 2dxy -0.016025 0.009934 0.010812 -0.009940 0.006255 0.010092 27O 1f0 -0.009831 -0.024446 -0.006760 0.010655 0.007264 -0.006682 27O 1f+1 -0.169529 0.178327 -0.020906 -0.039345 -0.026732 0.031158 27O 1f-1 0.061705 -0.169668 -0.005446 0.040489 -0.008447 -0.014658 27O 1f+2 -0.044366 0.043894 -0.004773 -0.000887 0.013018 -0.009818 27O 1f-2 0.147268 -0.137929 -0.006200 0.054031 -0.040877 -0.051148 27O 1f+3 0.118390 -0.152990 0.017719 0.029904 0.031654 -0.022361 27O 1f-3 -0.054774 0.088655 0.002736 -0.027099 -0.004179 0.013770 28O 1s 0.000289 0.000069 -0.000225 -0.000157 0.000035 -0.000673 28O 2s 0.001530 0.000181 -0.000871 -0.000753 0.000273 -0.001973 28O 3s -0.025317 0.001681 0.011625 0.013625 -0.016172 0.017359 28O 4s 0.097247 -0.009653 -0.021379 -0.036852 0.122584 -0.040526 28O 5s -0.015329 -0.059258 -0.128674 -0.147613 -0.178642 0.078594 28O 1pz 0.003654 0.009111 -0.004843 -0.008771 -0.003318 0.001312 28O 1px 0.002239 0.005506 0.000006 -0.001005 0.006652 -0.000118 28O 1py 0.000027 -0.014657 -0.000145 0.006131 -0.004029 0.002671 28O 2pz -0.010730 0.007486 0.033462 0.051786 -0.010145 -0.018403 28O 2px 0.037543 -0.015765 -0.020979 -0.030205 0.006848 0.016592 28O 2py -0.032131 0.010689 0.003901 -0.004739 0.015961 -0.015983 28O 3pz -0.147100 -0.051311 -0.053337 -0.066675 -0.136025 0.160568 28O 3px 0.018157 -0.024429 -0.017998 0.000941 0.040353 -0.078101 28O 3py 0.036035 0.048331 -0.014971 -0.027936 -0.117627 0.137265 28O 1dz2 0.043055 0.005665 -0.001671 -0.010495 -0.002976 0.007936 28O 1dxz 0.008963 -0.012135 0.012583 0.009816 0.009822 0.001835 28O 1dyz -0.022453 -0.010353 -0.006756 -0.002684 -0.028404 0.009613 28O 1dx2y2 0.010266 -0.017554 0.005223 0.001493 0.006094 -0.004171 28O 1dxy 0.029174 0.026714 0.003719 -0.004122 -0.004496 -0.000793 28O 2dz2 -0.012916 -0.013554 -0.006466 -0.008309 -0.003618 0.006850 28O 2dxz -0.008408 0.008225 0.013366 0.015511 -0.009879 -0.000883 28O 2dyz 0.014820 0.009069 -0.004147 -0.008017 -0.013688 0.011031 28O 2dx2y2 0.018220 -0.000488 -0.003527 -0.005457 0.008751 -0.003256 28O 2dxy -0.019513 -0.012710 0.002547 0.005020 0.000665 -0.003578 28O 1f0 -0.347848 -0.306528 -0.022060 0.080933 0.003943 -0.046066 28O 1f+1 -0.021270 -0.037152 -0.004794 0.009959 -0.003879 -0.008771 28O 1f-1 0.058121 0.019078 0.019473 0.008937 0.049228 -0.027778 28O 1f+2 -0.071205 -0.115035 -0.002348 0.027814 -0.008930 -0.005420 28O 1f-2 -0.047348 -0.082136 -0.004134 0.014341 -0.024047 -0.004848 28O 1f+3 -0.179373 -0.101022 -0.027301 0.034672 -0.019648 -0.038518 28O 1f-3 0.049064 0.074097 0.004302 -0.015610 0.037509 -0.003606 29O 1s -0.001133 -0.000872 0.002114 -0.002764 -0.000110 0.000300 29O 2s -0.003280 -0.002847 0.007126 -0.009061 -0.000426 0.000821 29O 3s 0.022677 0.028742 -0.074533 0.092129 0.005252 -0.006315 29O 4s -0.068704 -0.067738 0.185767 -0.229434 -0.009775 0.018021 29O 5s 0.316108 0.086553 -0.239316 0.323453 -0.010096 -0.058888 29O 1pz 0.002076 -0.000694 0.006809 -0.004409 0.007387 0.013894 29O 1px -0.001644 0.004356 -0.027424 0.019276 0.001485 0.007004 29O 1py 0.004720 0.005782 -0.026492 0.024384 -0.000819 -0.002123 29O 2pz -0.016281 0.000259 -0.011132 0.006236 -0.022737 -0.054200 29O 2px 0.026210 -0.009162 0.058594 -0.037605 -0.008947 -0.028470 29O 2py -0.029283 -0.014405 0.070406 -0.065644 0.005169 0.010370 29O 3pz -0.000191 0.015757 -0.048687 0.058138 0.087451 0.098198 29O 3px -0.022792 -0.050358 0.159316 -0.183306 0.024227 0.051360 29O 3py -0.158770 -0.008112 0.036163 -0.042446 0.003986 0.004580 29O 1dz2 -0.016903 -0.007707 0.028725 -0.018696 -0.056817 -0.057246 29O 1dxz -0.009544 0.002127 -0.020828 0.022874 0.107514 0.097158 29O 1dyz -0.001110 -0.000885 -0.001492 -0.002188 0.090624 0.083291 29O 1dx2y2 -0.014127 -0.030245 0.089068 -0.085851 0.045235 0.048468 29O 1dxy 0.007944 0.009574 -0.029850 0.026720 0.023892 0.021628 29O 2dz2 -0.002471 0.001441 0.006343 -0.005398 -0.016191 -0.011154 29O 2dxz -0.000600 0.002990 -0.013303 0.012319 0.030701 0.024800 29O 2dyz 0.005374 -0.001053 0.000403 -0.001086 0.021678 0.030720 29O 2dx2y2 -0.007407 -0.009778 0.041475 -0.038305 0.011279 0.010472 29O 2dxy -0.010575 0.004981 -0.020273 0.016712 0.006312 0.010774 29O 1f0 0.041380 0.057353 -0.297111 0.274060 0.111101 0.071590 29O 1f+1 -0.040967 -0.052105 0.304728 -0.271219 -0.391724 -0.410584 29O 1f-1 -0.012544 -0.063294 0.272119 -0.258332 0.020835 0.040901 29O 1f+2 0.019363 -0.057580 0.146263 -0.152766 0.476297 0.460885 29O 1f-2 0.037928 -0.071183 0.268564 -0.247685 -0.186059 -0.170149 29O 1f+3 0.129704 0.031003 -0.237901 0.212297 -0.260544 -0.245867 29O 1f-3 0.030190 -0.109777 0.384446 -0.352717 0.134864 0.141689 30O 1s -0.000427 -0.000247 -0.000311 -0.000186 0.000217 -0.000570 30O 2s -0.002105 -0.000939 -0.000768 -0.000694 0.000610 -0.001344 30O 3s 0.032400 0.015789 0.000185 0.011645 -0.010057 -0.004766 30O 4s -0.103276 -0.068685 0.036414 -0.060873 0.051285 0.057947 30O 5s -0.075380 -0.006667 -0.004622 0.102759 -0.233982 0.345855 30O 1pz -0.001067 0.016692 0.003810 0.001547 -0.003832 0.005797 30O 1px -0.001281 0.005692 -0.000707 -0.005732 0.005966 -0.002231 30O 1py -0.001780 0.010301 -0.001728 -0.004212 0.010634 -0.009905 30O 2pz -0.000912 0.000020 -0.028268 -0.006491 0.012540 -0.064049 30O 2px -0.029097 -0.030878 0.018812 0.007036 -0.026293 0.069106 30O 2py -0.027268 -0.021429 0.022871 -0.003009 -0.044093 0.090699 30O 3pz 0.179814 -0.032707 0.045006 0.045920 0.009017 -0.037794 30O 3px -0.102389 -0.014566 -0.016628 0.036176 -0.035058 0.055983 30O 3py -0.117516 -0.046508 -0.029423 -0.009504 0.090573 -0.083451 30O 1dz2 -0.027317 0.012504 -0.000111 -0.002886 0.015964 -0.002744 30O 1dxz 0.000617 -0.027145 -0.003310 0.008973 0.012266 0.002629 30O 1dyz 0.013113 0.000717 0.002047 -0.010775 0.005507 -0.005987 30O 1dx2y2 -0.020832 -0.004903 0.003713 0.006141 0.012417 -0.001285 30O 1dxy 0.020452 -0.021921 0.002280 0.002491 0.000860 -0.005354 30O 2dz2 0.019130 -0.015064 0.003384 0.003163 0.008231 -0.008000 30O 2dxz -0.001278 0.015763 -0.005147 -0.002313 0.003327 -0.020229 30O 2dyz 0.013717 0.005139 -0.005960 0.001105 0.001989 -0.019747 30O 2dx2y2 -0.000530 -0.008730 -0.003586 0.007531 -0.001280 0.001941 30O 2dxy -0.017265 0.003952 0.005457 -0.006401 -0.006974 0.025919 30O 1f0 0.104621 -0.117476 0.001596 0.028392 -0.029972 -0.001180 30O 1f+1 0.033990 -0.036141 -0.001059 0.004388 0.000622 -0.023571 30O 1f-1 -0.186026 0.275953 -0.013310 -0.060212 -0.006148 0.050853 30O 1f+2 -0.077039 0.051721 -0.015548 0.001180 0.001995 0.028298 30O 1f-2 0.009654 0.025547 -0.004661 -0.007872 -0.010414 -0.001242 30O 1f+3 0.093595 -0.043481 -0.000128 0.008647 -0.009041 -0.042752 30O 1f-3 0.096191 -0.140787 -0.004313 0.044096 -0.047028 -0.015392 31O 1s -0.000439 0.000242 -0.000305 0.000138 -0.000240 -0.000561 31O 2s -0.002155 0.000920 -0.000757 0.000549 -0.000660 -0.001314 31O 3s 0.033206 -0.015528 0.000095 -0.010433 0.009698 -0.005086 31O 4s -0.106333 0.067562 0.036502 0.058847 -0.048093 0.058472 31O 5s -0.078096 0.007653 -0.000135 -0.098365 0.250166 0.348855 31O 1pz 0.001036 0.016652 -0.003722 0.001205 -0.004103 -0.005862 31O 1px 0.001266 0.005695 0.000838 -0.005703 0.006120 0.002281 31O 1py 0.001683 0.010328 0.002069 -0.004131 0.011142 0.009852 31O 2pz 0.000664 0.000070 0.028932 -0.004829 0.015865 0.064660 31O 2px 0.030201 -0.030599 -0.019285 0.006606 -0.029764 -0.069427 31O 2py 0.028312 -0.021406 -0.023274 -0.004162 -0.048339 -0.090526 31O 3pz -0.182500 -0.033457 -0.043859 0.039656 0.007460 0.037034 31O 3px 0.103728 -0.014336 0.012588 0.037727 -0.038031 -0.057571 31O 3py 0.119112 -0.045460 0.024063 -0.003378 0.094403 0.082272 31O 1dz2 -0.027612 -0.012534 -0.000092 0.002723 -0.016039 -0.002298 31O 1dxz 0.000751 0.027257 -0.002657 -0.009010 -0.012210 0.002984 31O 1dyz 0.013077 -0.000845 0.001758 0.010387 -0.005748 -0.006415 31O 1dx2y2 -0.021009 0.004877 0.004366 -0.006160 -0.012579 -0.000937 31O 1dxy 0.020566 0.021943 0.002499 -0.002451 -0.001054 -0.005335 31O 2dz2 0.019422 0.015080 0.003742 -0.002959 -0.008457 -0.007815 31O 2dxz -0.001037 -0.015673 -0.005725 0.002361 -0.004383 -0.020408 31O 2dyz 0.013833 -0.005173 -0.005696 -0.001635 -0.002935 -0.019979 31O 2dx2y2 -0.000674 0.008621 -0.002698 -0.008144 0.001423 0.002042 31O 2dxy -0.017808 -0.004044 0.005399 0.006418 0.008126 0.025889 31O 1f0 -0.105719 -0.117506 -0.003668 0.027738 -0.030987 0.002290 31O 1f+1 -0.034131 -0.036187 0.000516 0.005194 0.001203 0.024262 31O 1f-1 0.188148 0.276232 0.018585 -0.060180 -0.006515 -0.051676 31O 1f+2 0.077672 0.051630 0.016095 0.001608 0.001575 -0.029765 31O 1f-2 -0.009420 0.025851 0.005157 -0.007213 -0.010491 0.001620 31O 1f+3 -0.094212 -0.043492 -0.000535 0.009321 -0.008082 0.043584 31O 1f-3 -0.097549 -0.141080 0.001181 0.043912 -0.047658 0.016345 32O 1s -0.001130 0.000860 0.001941 0.002873 0.000110 0.000296 32O 2s -0.003275 0.002806 0.006551 0.009423 0.000434 0.000796 32O 3s 0.022773 -0.028246 -0.068553 -0.095816 -0.005602 -0.005758 32O 4s -0.068792 0.066484 0.170698 0.238392 0.010727 0.016441 32O 5s 0.313253 -0.085602 -0.219179 -0.335105 0.012394 -0.059793 32O 1pz -0.001889 -0.000642 -0.007202 -0.005713 0.007452 -0.014632 32O 1px 0.001752 0.004182 0.026040 0.020452 0.001470 -0.007048 32O 1py -0.004670 0.005664 0.025138 0.025983 -0.000732 0.002095 32O 2pz 0.014879 0.000284 0.013680 0.010926 -0.023021 0.057141 32O 2px -0.026419 -0.008669 -0.055137 -0.039301 -0.009413 0.029379 32O 2py 0.028905 -0.014210 -0.067093 -0.070152 0.005372 -0.010526 32O 3pz -0.001757 0.015433 0.046350 0.062339 0.085075 -0.099591 32O 3px 0.022216 -0.049362 -0.147226 -0.191067 0.023069 -0.051680 32O 3py 0.157569 -0.008128 -0.034050 -0.044270 0.008005 -0.007298 32O 1dz2 -0.017011 0.007314 0.027885 0.020658 0.057973 -0.060971 32O 1dxz -0.008646 -0.001691 -0.019150 -0.024221 -0.104422 0.098555 32O 1dyz -0.001731 0.001390 0.000826 0.004068 -0.088122 0.084523 32O 1dx2y2 -0.014058 0.029862 0.084344 0.090932 -0.041724 0.047204 32O 1dxy 0.007885 -0.009112 -0.027479 -0.027670 -0.025906 0.024739 32O 2dz2 -0.002837 -0.001650 0.006247 0.006192 0.016509 -0.012419 32O 2dxz -0.000206 -0.002719 -0.012750 -0.013597 -0.029440 0.024309 32O 2dyz 0.004986 0.001163 0.001870 0.002895 -0.021538 0.032167 32O 2dx2y2 -0.007274 0.009662 0.039375 0.040638 -0.010444 0.009909 32O 2dxy -0.010605 -0.004737 -0.018488 -0.016993 -0.007244 0.011855 32O 1f0 -0.042248 0.058405 0.294187 0.306607 0.101200 -0.062551 32O 1f+1 0.043201 -0.048378 -0.280923 -0.280937 -0.374487 0.411047 32O 1f-1 0.010175 -0.061532 -0.249891 -0.267198 0.039369 -0.059727 32O 1f+2 -0.020610 -0.056602 -0.130434 -0.151167 0.474674 -0.479906 32O 1f-2 -0.031404 -0.071877 -0.269641 -0.279663 -0.181205 0.173695 32O 1f+3 -0.127209 0.030389 0.224883 0.223522 -0.261310 0.257889 32O 1f-3 -0.032343 -0.105851 -0.355934 -0.365631 0.113508 -0.127536 33O 1s 0.000280 -0.000069 -0.000179 0.000107 -0.000023 -0.000663 33O 2s 0.001491 -0.000182 -0.000698 0.000567 -0.000236 -0.001933 33O 3s -0.024573 -0.001634 0.009325 -0.011359 0.016048 0.016285 33O 4s 0.094756 0.009798 -0.013833 0.031518 -0.122952 -0.034551 33O 5s -0.021331 0.058227 -0.127310 0.130854 0.173971 0.073432 33O 1pz -0.003565 0.008960 0.005428 -0.008434 -0.003154 -0.001039 33O 1px -0.002423 0.005657 0.000344 -0.001269 0.006639 -0.000191 33O 1py -0.000083 -0.014675 -0.000081 0.005972 -0.004107 -0.002563 33O 2pz 0.009092 0.007988 -0.033867 0.048672 -0.011526 0.018579 33O 2px -0.035686 -0.016236 0.018790 -0.027109 0.007571 -0.017230 33O 2py 0.032340 0.010761 -0.003938 -0.004433 0.016137 0.015852 33O 3pz 0.147621 -0.053215 0.060990 -0.065492 -0.135885 -0.153688 33O 3px -0.016505 -0.023238 0.012101 0.006555 0.042657 0.076262 33O 3py -0.035572 0.047328 0.018784 -0.028123 -0.120815 -0.134611 33O 1dz2 0.043283 -0.005754 -0.002142 0.010360 0.002941 0.007390 33O 1dxz 0.008903 0.011976 0.013185 -0.008801 -0.009986 0.001947 33O 1dyz -0.022722 0.010202 -0.006973 0.002365 0.028354 0.008727 33O 1dx2y2 0.010452 0.017448 0.005690 -0.001505 -0.006119 -0.004377 33O 1dxy 0.029256 -0.026813 0.003369 0.004434 0.004385 -0.000827 33O 2dz2 -0.013230 0.013559 -0.006368 0.007702 0.003497 0.006663 33O 2dxz -0.007636 -0.008289 0.012683 -0.014043 0.010284 -0.001457 33O 2dyz 0.014664 -0.009156 -0.004232 0.007667 0.013783 0.010801 33O 2dx2y2 0.017895 0.000462 -0.003027 0.004877 -0.009018 -0.002891 33O 2dxy -0.019613 0.012659 0.002736 -0.004848 -0.000733 -0.003750 33O 1f0 0.350160 -0.307382 0.015600 0.082737 0.005961 0.045826 33O 1f+1 0.020641 -0.036890 0.003955 0.010261 -0.003835 0.008937 33O 1f-1 -0.057173 0.017092 -0.020151 0.008674 0.048672 0.026333 33O 1f+2 0.071668 -0.114798 -0.000188 0.028258 -0.008465 0.006338 33O 1f-2 0.047427 -0.081635 0.002761 0.014835 -0.023683 0.006085 33O 1f+3 0.180525 -0.101755 0.024684 0.036768 -0.018655 0.038540 33O 1f-3 -0.049473 0.073410 -0.002879 -0.015787 0.036536 0.002438 34O 1s 0.000195 -0.000158 -0.000027 0.000203 0.000148 0.000575 34O 2s 0.001332 -0.000449 -0.000144 0.000596 0.000368 0.001686 34O 3s -0.027780 0.001497 0.003778 -0.004503 0.007063 -0.014299 34O 4s 0.109810 0.005201 -0.006125 0.024301 -0.084144 0.032644 34O 5s 0.004075 0.003131 -0.079731 -0.130734 0.129077 -0.038524 34O 1pz -0.003758 -0.016752 0.004713 0.009516 0.002783 0.000508 34O 1px 0.001780 -0.001872 0.002080 0.004561 -0.006192 -0.001738 34O 1py 0.001725 -0.010524 -0.003974 0.001118 0.002885 -0.002588 34O 2pz -0.015246 0.015834 -0.013982 -0.021842 -0.012003 0.001634 34O 2px 0.044212 0.002098 -0.030407 -0.034946 -0.010126 -0.011845 34O 2py -0.030497 0.005299 0.020394 0.011363 -0.011489 0.018368 34O 3pz 0.085659 0.054389 0.037003 0.039044 0.001880 -0.007904 34O 3px 0.141455 0.040398 0.054429 0.076578 -0.053581 0.126945 34O 3py -0.042743 0.008164 -0.053684 -0.074796 0.118299 -0.151402 34O 1dz2 0.009962 -0.018655 0.010409 0.011225 -0.025704 0.002331 34O 1dxz 0.025362 0.024283 -0.004881 -0.011392 -0.000203 -0.006185 34O 1dyz -0.022862 0.001628 -0.002308 0.004600 -0.008637 0.005913 34O 1dx2y2 0.007615 -0.000547 0.001304 -0.001672 -0.010986 0.005916 34O 1dxy 0.016229 0.025270 0.009606 0.004558 -0.007882 0.007096 34O 2dz2 -0.010709 -0.000836 0.006539 0.005867 -0.000106 0.002591 34O 2dxz -0.022459 -0.018320 -0.004544 -0.001195 -0.002896 -0.001611 34O 2dyz -0.000124 0.004435 0.000451 0.002565 -0.004647 0.004223 34O 2dx2y2 0.014691 -0.005582 -0.006539 -0.004050 -0.012105 0.004713 34O 2dxy -0.015794 -0.010025 0.009283 0.010360 -0.005842 0.010298 34O 1f0 0.008752 -0.024744 0.006206 0.011248 0.007392 0.006579 34O 1f+1 0.171190 0.178124 0.024130 -0.037989 -0.026561 -0.030181 34O 1f-1 -0.062885 -0.169992 0.002131 0.040829 -0.008709 0.015913 34O 1f+2 0.044348 0.043913 0.005131 -0.000017 0.013730 0.009188 34O 1f-2 -0.148171 -0.138081 0.002298 0.055047 -0.039839 0.051084 34O 1f+3 -0.119842 -0.152852 -0.020537 0.029060 0.031530 0.022179 34O 1f-3 0.055704 0.088789 -0.000784 -0.027083 -0.004024 -0.013383 35O 1s -0.000346 -0.000333 0.000013 0.000025 -0.000070 0.000593 35O 2s -0.001597 -0.001144 0.000299 -0.000039 -0.000057 0.001207 35O 3s 0.026432 0.010852 -0.011351 0.004522 0.004722 0.012976 35O 4s -0.092799 -0.024570 0.070573 -0.033343 -0.051326 -0.100204 35O 5s -0.056295 0.017594 -0.035473 0.037631 0.349774 -0.430112 35O 1pz -0.000978 -0.010619 -0.001895 -0.000026 -0.004031 0.008399 35O 1px -0.000114 -0.004593 -0.003153 -0.002910 -0.012357 0.008997 35O 1py -0.005903 0.018263 -0.001099 -0.004888 -0.010028 0.009530 35O 2pz 0.023918 0.007538 0.013061 0.003882 0.014359 -0.046271 35O 2px -0.024160 0.001683 0.038748 -0.000050 0.055825 -0.145919 35O 2py -0.029025 -0.019135 0.015302 -0.004340 0.047241 -0.092482 35O 3pz -0.106854 0.021597 -0.001249 -0.032273 -0.060351 0.074972 35O 3px -0.177898 0.029476 -0.017677 0.016932 0.061701 -0.045844 35O 3py -0.036397 -0.026503 0.018357 0.037273 -0.068919 0.096328 35O 1dz2 -0.028767 -0.010880 -0.005155 0.012204 -0.010950 -0.004107 35O 1dxz -0.022328 0.013332 -0.003099 -0.004631 -0.000673 -0.000543 35O 1dyz 0.002744 0.015145 -0.005770 -0.004562 0.022772 -0.009194 35O 1dx2y2 -0.042458 0.017982 0.003675 0.004565 -0.000339 0.000617 35O 1dxy 0.026792 -0.031167 -0.002383 0.008486 0.009284 -0.000344 35O 2dz2 0.006418 -0.003934 -0.005455 0.001792 -0.009977 0.025213 35O 2dxz 0.018222 -0.016258 0.006786 -0.001191 -0.004410 -0.009634 35O 2dyz 0.000703 -0.004013 -0.000609 -0.003109 0.001212 -0.005752 35O 2dx2y2 0.006922 -0.013919 0.006866 0.008800 0.007912 -0.025937 35O 2dxy -0.030796 0.012080 0.004651 -0.008671 0.013370 -0.036890 35O 1f0 -0.077055 0.127650 -0.001137 -0.033585 0.003551 -0.022199 35O 1f+1 -0.242583 0.181638 -0.021984 -0.031308 0.024458 -0.044171 35O 1f-1 -0.102912 0.075082 -0.016135 -0.016891 0.003747 -0.025106 35O 1f+2 -0.160171 0.186191 -0.004215 -0.047529 -0.016157 0.011863 35O 1f-2 0.080670 -0.029111 -0.010465 0.005992 0.047785 -0.011942 35O 1f+3 0.132397 -0.108135 0.000889 0.028455 0.004336 0.026344 35O 1f-3 0.154582 -0.114166 0.009759 0.024571 0.015992 0.026631 642 643 644 645 646 647 5.46910 5.47003 5.47271 5.47727 5.48828 5.48918 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s -0.000084 0.000039 0.000001 0.000003 0.000059 0.000060 0Rh 2s 0.000684 -0.000256 -0.000135 -0.000090 -0.000556 -0.000429 0Rh 3s -0.000103 0.000083 -0.000076 -0.000034 0.000029 0.000105 0Rh 4s -0.004148 0.001600 0.000726 0.000512 0.003330 0.002636 0Rh 5s 0.010830 -0.004237 -0.001865 -0.001461 -0.008672 -0.006877 0Rh 6s -0.012502 0.004802 0.002483 0.002708 0.009915 0.007919 0Rh 7s 0.028852 -0.003260 -0.006327 -0.028637 -0.012357 -0.007118 0Rh 8s 0.011963 -0.011648 -0.002459 0.016778 -0.001318 -0.009568 0Rh 1pz 0.002979 -0.008372 0.031881 -0.058191 -0.001172 -0.005386 0Rh 1px 0.000713 -0.007471 0.021348 -0.010672 0.001350 0.000115 0Rh 1py -0.000555 0.008711 -0.057919 -0.037900 -0.002550 -0.014081 0Rh 2pz -0.012300 0.034406 -0.131118 0.239285 0.004822 0.022305 0Rh 2px -0.002911 0.030750 -0.087798 0.043865 -0.005552 -0.000484 0Rh 2py 0.002298 -0.035817 0.238203 0.155868 0.010494 0.058147 0Rh 3pz 0.038290 -0.104623 0.400097 -0.729380 -0.014741 -0.070966 0Rh 3px 0.008407 -0.094307 0.267907 -0.133341 0.016884 0.001780 0Rh 3py -0.007282 0.109151 -0.726783 -0.475426 -0.032119 -0.181824 0Rh 4pz -0.045775 0.121821 -0.466651 0.848966 0.017264 0.091040 0Rh 4px -0.008196 0.111685 -0.312444 0.153833 -0.019319 -0.003258 0Rh 4py 0.009202 -0.126894 0.847419 0.553932 0.037726 0.224383 0Rh 5pz 0.016060 -0.056800 0.194850 -0.354721 -0.007392 -0.053765 0Rh 5px 0.000803 -0.052352 0.130875 -0.059421 0.006803 0.004389 0Rh 5py -0.004321 0.052591 -0.353847 -0.230782 -0.016181 -0.115760 0Rh 6pz 0.042821 0.208551 -0.151392 0.322806 0.009208 0.075458 0Rh 6px -0.045644 0.084973 -0.097489 0.031446 0.005692 -0.021503 0Rh 6py -0.015307 -0.048462 0.238654 0.162440 0.008479 0.082536 0Rh 1dz2 -0.000819 -0.000856 -0.001427 0.000621 -0.000652 0.000229 0Rh 1dxz 0.002970 0.002253 0.001290 -0.003087 -0.000530 -0.000839 0Rh 1dyz 0.000929 -0.000258 0.001712 -0.001244 0.000445 -0.000313 0Rh 1dx2y2 0.000378 -0.000138 0.001998 0.000259 0.000047 -0.000105 0Rh 1dxy 0.000111 -0.000076 -0.001049 -0.001278 0.000236 0.001026 0Rh 2dz2 0.000222 0.000400 0.000123 0.000221 -0.000030 0.000014 0Rh 2dxz -0.000539 -0.000664 0.000023 -0.000010 0.000078 -0.000178 0Rh 2dyz -0.000311 0.000308 0.000073 0.000209 -0.000094 0.000080 0Rh 2dx2y2 -0.000253 -0.000027 -0.000152 -0.000076 -0.000293 0.000216 0Rh 2dxy -0.000125 0.000256 -0.000401 -0.000217 -0.000166 -0.000741 0Rh 3dz2 0.002876 0.002195 0.006349 -0.004154 0.003263 -0.001189 0Rh 3dxz -0.011799 -0.007701 -0.006431 0.015162 0.002188 0.004972 0Rh 3dyz -0.002990 -0.000217 -0.008772 0.005058 -0.001711 0.001134 0Rh 3dx2y2 -0.000579 0.000817 -0.009083 -0.000900 0.001144 -0.000550 0Rh 3dxy 0.000077 -0.000891 0.007164 0.007368 -0.000356 -0.001433 0Rh 4dz2 -0.004492 -0.002274 -0.012576 0.010215 -0.006413 0.002615 0Rh 4dxz 0.021503 0.012162 0.013821 -0.032471 -0.003940 -0.011876 0Rh 4dyz 0.004166 0.001924 0.019437 -0.009646 0.002936 -0.001880 0Rh 4dx2y2 -0.000744 -0.001929 0.018926 0.001492 -0.003568 0.002620 0Rh 4dxy -0.001128 0.003380 -0.017890 -0.017338 -0.000081 -0.000888 0Rh 5dz2 0.003414 -0.001467 0.017358 -0.022355 0.007649 -0.007827 0Rh 5dxz -0.026663 -0.009408 -0.022979 0.053684 0.003383 0.031045 0Rh 5dyz 0.006545 -0.006916 -0.035354 0.010398 -0.001349 -0.001083 0Rh 5dx2y2 0.012428 0.003146 -0.030998 -0.000608 0.009109 -0.011432 0Rh 5dxy 0.009414 -0.009427 0.038877 0.034887 0.003485 0.018395 0Rh 1f0 -0.001330 -0.002332 0.008799 0.003668 0.000262 0.001190 0Rh 1f+1 -0.003093 -0.003079 -0.004221 0.009177 0.000460 0.002041 0Rh 1f-1 0.001238 0.001630 0.004919 0.020283 0.000834 -0.000863 0Rh 1f+2 0.002278 -0.002166 0.013086 -0.014376 0.000233 -0.001199 0Rh 1f-2 -0.000984 -0.003399 0.013626 0.005777 0.000310 -0.000167 0Rh 1f+3 0.000306 0.001649 -0.012756 0.004156 -0.000280 -0.001241 0Rh 1f-3 0.001643 -0.000904 0.008515 0.005188 0.000280 0.003199 1Rh 1s 0.000065 0.000048 -0.000004 0.000006 0.000058 -0.000062 1Rh 2s -0.000546 -0.000324 -0.000091 -0.000099 -0.000544 0.000457 1Rh 3s 0.000067 0.000100 -0.000079 -0.000023 0.000027 -0.000106 1Rh 4s 0.003299 0.002016 0.000461 0.000574 0.003256 -0.002802 1Rh 5s -0.008625 -0.005319 -0.001161 -0.001611 -0.008477 0.007311 1Rh 6s 0.010066 0.006011 0.001612 0.002801 0.009680 -0.008424 1Rh 7s -0.024857 -0.003405 -0.004414 -0.028364 -0.012257 0.007951 1Rh 8s -0.008210 -0.012035 -0.003691 0.017753 -0.000665 0.009300 1Rh 1pz 0.002809 0.008508 -0.031883 0.058047 0.000848 -0.005598 1Rh 1px 0.000009 0.007644 -0.021392 0.010676 -0.001384 0.000152 1Rh 1py -0.000715 -0.008860 0.057977 0.037808 0.001974 -0.014181 1Rh 2pz -0.011605 -0.034972 0.131126 -0.238694 -0.003482 0.023180 1Rh 2px -0.000012 -0.031461 0.087979 -0.043883 0.005691 -0.000638 1Rh 2py 0.002956 0.036433 -0.238442 -0.155489 -0.008117 0.058557 1Rh 3pz 0.036195 0.106412 -0.400124 0.727549 0.010519 -0.073638 1Rh 3px -0.000482 0.096437 -0.268469 0.133390 -0.017304 0.002251 1Rh 3py -0.009296 -0.111065 0.727525 0.474252 0.024699 -0.183080 1Rh 4pz -0.043311 -0.124019 0.466702 -0.846750 -0.011949 0.094161 1Rh 4px 0.002262 -0.113946 0.313126 -0.153862 0.019787 -0.003805 1Rh 4py 0.011611 0.129177 -0.848315 -0.552518 -0.028603 0.225865 1Rh 5pz 0.014304 0.057630 -0.194970 0.353662 0.004395 -0.055116 1Rh 5px -0.003669 0.052439 -0.131214 0.059388 -0.006915 0.004577 1Rh 5py -0.005574 -0.053430 0.354242 0.230145 0.011537 -0.116413 1Rh 6pz 0.063185 -0.209117 0.151555 -0.324110 -0.004776 0.079768 1Rh 6px -0.043307 -0.075763 0.097974 -0.032068 -0.006590 -0.020204 1Rh 6py -0.014623 0.048310 -0.237038 -0.163639 -0.005311 0.083718 1Rh 1dz2 0.000861 -0.000694 -0.001383 0.000714 -0.000642 -0.000199 1Rh 1dxz -0.003179 0.002010 0.001262 -0.003093 -0.000520 0.000881 1Rh 1dyz -0.000855 -0.000436 0.001697 -0.001251 0.000459 0.000319 1Rh 1dx2y2 -0.000388 -0.000164 0.001940 0.000301 0.000041 0.000115 1Rh 1dxy -0.000193 0.000005 -0.001033 -0.001292 0.000179 -0.001018 1Rh 2dz2 -0.000238 0.000369 0.000109 0.000208 -0.000036 -0.000012 1Rh 2dxz 0.000604 -0.000615 0.000029 -0.000005 0.000093 0.000171 1Rh 2dyz 0.000271 0.000356 0.000065 0.000188 -0.000097 -0.000079 1Rh 2dx2y2 0.000247 0.000000 -0.000139 -0.000062 -0.000297 -0.000203 1Rh 2dxy 0.000130 0.000249 -0.000408 -0.000211 -0.000133 0.000747 1Rh 3dz2 -0.002996 0.001564 0.006204 -0.004536 0.003246 0.001035 1Rh 3dxz 0.012497 -0.006760 -0.006323 0.015176 0.002069 -0.005140 1Rh 3dyz 0.002822 0.000411 -0.008662 0.005193 -0.001762 -0.001174 1Rh 3dx2y2 0.000660 0.000810 -0.008866 -0.001172 0.001191 0.000437 1Rh 3dxy 0.000296 -0.001252 0.007119 0.007406 -0.000234 0.001363 1Rh 4dz2 0.004649 -0.001172 -0.012346 0.010895 -0.006410 -0.002302 1Rh 4dxz -0.022581 0.010464 0.013659 -0.032511 -0.003596 0.012175 1Rh 4dyz -0.004023 0.000919 0.019165 -0.010037 0.003023 0.001997 1Rh 4dx2y2 0.000528 -0.001710 0.018516 0.002142 -0.003704 -0.002326 1Rh 4dxy 0.000381 0.004113 -0.017843 -0.017387 -0.000168 0.001071 1Rh 5dz2 -0.003578 -0.002650 0.017147 -0.022750 0.007882 0.007361 1Rh 5dxz 0.027498 -0.007406 -0.023073 0.054034 0.002242 -0.031266 1Rh 5dyz -0.006066 -0.007009 -0.034822 0.011559 -0.001327 0.000712 1Rh 5dx2y2 -0.011956 0.001918 -0.030292 -0.002104 0.009540 0.010809 1Rh 5dxy -0.008425 -0.010901 0.039001 0.034873 0.002940 -0.018813 1Rh 1f0 -0.001379 0.002267 -0.008797 -0.003660 -0.000218 0.001195 1Rh 1f+1 -0.003401 0.002726 0.004168 -0.009188 -0.000370 0.002094 1Rh 1f-1 0.001467 -0.001530 -0.004902 -0.020338 -0.000833 -0.000768 1Rh 1f+2 0.002258 0.002290 -0.013023 0.014413 -0.000302 -0.001265 1Rh 1f-2 -0.001110 0.003289 -0.013629 -0.005754 -0.000316 -0.000166 1Rh 1f+3 0.000308 -0.001733 0.012733 -0.004151 0.000247 -0.001219 1Rh 1f-3 0.001540 0.001112 -0.008486 -0.005183 -0.000157 0.003215 2C 1s 0.000408 -0.000148 -0.000016 0.001296 0.000281 -0.001615 2C 2s 0.000423 -0.000314 -0.000207 0.000895 0.000461 -0.001817 2C 3s 0.017566 0.002953 0.010861 0.047971 0.007840 -0.038692 2C 4s -0.120309 0.037136 -0.037466 -0.197982 -0.055051 0.247858 2C 5s 0.137136 0.061418 0.023727 0.015457 0.006997 -0.639802 2C 1pz 0.000755 0.000980 0.001083 -0.009857 -0.002359 0.006224 2C 1px -0.001432 0.003121 0.002544 0.033866 0.000203 0.000246 2C 1py -0.000605 0.001069 0.001441 0.007066 0.002368 0.003860 2C 2pz -0.062790 0.043636 -0.015919 0.145335 0.004331 0.087001 2C 2px -0.004468 -0.017964 -0.018792 -0.243509 -0.000307 0.037409 2C 2py -0.031345 0.022526 0.009452 -0.007672 -0.048599 0.058872 2C 3pz 0.028267 0.017327 0.003145 -0.008052 -0.018359 -0.128569 2C 3px 0.010011 -0.018975 -0.005230 -0.047908 -0.015770 -0.033770 2C 3py 0.012349 0.004545 -0.002184 -0.024824 0.029761 -0.095567 2C 1dz2 -0.004632 0.000546 0.000683 0.025107 0.026846 0.001062 2C 1dxz -0.002885 0.000273 -0.000527 -0.037376 0.015024 -0.000719 2C 1dyz -0.002770 0.003243 0.000690 0.013435 -0.018449 0.021748 2C 1dx2y2 -0.000177 -0.001163 0.000383 -0.000096 0.022019 -0.013801 2C 1dxy -0.000840 0.001029 -0.002368 -0.027190 -0.003806 0.004283 2C 2dz2 -0.019620 0.015268 0.010941 0.150794 0.041248 0.006224 2C 2dxz 0.000951 -0.005081 -0.006450 -0.213253 0.022133 -0.017242 2C 2dyz -0.018157 0.008664 -0.004107 0.054172 -0.028415 0.047406 2C 2dx2y2 0.003797 -0.014730 0.003969 -0.016812 0.030972 -0.010060 2C 2dxy 0.002548 -0.008334 -0.019393 -0.153587 -0.019492 0.016707 2C 1f0 -0.006609 0.001170 0.010342 0.089975 0.050891 -0.010379 2C 1f+1 -0.004151 -0.001485 -0.009278 -0.082849 0.011006 0.006716 2C 1f-1 -0.005903 0.001461 -0.004281 0.028184 0.000968 0.017574 2C 1f+2 0.002480 -0.001875 -0.002961 -0.014002 0.034976 -0.030479 2C 1f-2 -0.003425 -0.005850 -0.003442 -0.161274 0.007031 0.006608 2C 1f+3 0.001773 0.000131 0.007772 -0.015615 0.003309 -0.005174 2C 1f-3 -0.000363 0.003808 0.004953 0.059034 -0.016106 0.012125 3C 1s 0.000316 0.000506 -0.001111 -0.000032 0.000257 0.000955 3C 2s 0.000391 0.000786 -0.000853 -0.000144 0.000513 0.000901 3C 3s 0.006840 0.000567 -0.045836 0.001627 0.004976 0.032086 3C 4s -0.063037 -0.047318 0.196787 0.012748 -0.047029 -0.190637 3C 5s 0.091138 -0.072292 -0.100086 0.035194 -0.010499 0.246700 3C 1pz -0.000751 -0.003370 0.009622 -0.000202 0.003028 -0.003432 3C 1px 0.000415 0.006079 -0.033884 0.001550 -0.000488 -0.001496 3C 1py 0.001064 0.004076 -0.005505 -0.000329 0.001996 0.001064 3C 2pz -0.019129 0.005961 -0.092643 0.024062 -0.054848 -0.029204 3C 2px -0.024009 -0.060563 0.251679 0.004628 -0.006760 -0.035346 3C 2py 0.040591 -0.001809 0.072538 -0.010255 -0.005489 0.114665 3C 3pz 0.006783 -0.003520 -0.017126 0.002515 0.044157 -0.006789 3C 3px 0.012074 -0.009742 0.038910 -0.000894 0.007336 0.012240 3C 3py -0.022717 0.012091 0.003121 -0.003980 0.030795 -0.067079 3C 1dz2 -0.000445 0.002003 -0.011470 0.001301 -0.033947 0.042192 3C 1dxz -0.002929 -0.004839 0.024069 -0.001553 -0.020921 0.020528 3C 1dyz 0.004634 -0.001583 0.021667 -0.002063 0.027653 -0.020020 3C 1dx2y2 0.000804 -0.001711 0.022575 -0.002452 -0.028893 0.047156 3C 1dxy 0.002279 0.006513 -0.032382 0.000649 -0.003323 0.013838 3C 2dz2 0.001356 0.013050 -0.068598 0.004647 -0.034457 0.041463 3C 2dxz -0.008701 -0.022891 0.108238 -0.010892 -0.030034 0.029863 3C 2dyz 0.015090 -0.025041 0.114990 -0.005779 0.049768 -0.021272 3C 2dx2y2 0.002530 -0.021009 0.138821 -0.016379 -0.045556 0.087300 3C 2dxy 0.011085 0.043094 -0.192963 0.005480 -0.015350 0.035947 3C 1f0 -0.000091 -0.001352 0.009287 -0.006073 -0.015659 0.026298 3C 1f+1 -0.002451 0.005156 -0.038092 0.006069 -0.025625 0.026991 3C 1f-1 0.004088 -0.013835 0.064802 0.000630 0.071239 -0.087217 3C 1f+2 0.001510 -0.011595 0.051197 0.000724 0.001158 0.015257 3C 1f-2 0.005204 0.020268 -0.100825 0.000358 0.023326 -0.016570 3C 1f+3 -0.004343 -0.016355 0.088989 -0.010878 0.006777 -0.017019 3C 1f-3 0.000341 -0.020985 0.126217 -0.006926 -0.025456 0.041427 4C 1s -0.000590 -0.000761 -0.000193 -0.000453 0.000070 0.002211 4C 2s -0.001005 -0.000937 -0.000164 -0.001197 0.000306 0.003652 4C 3s 0.014270 -0.051765 -0.027206 0.018260 -0.017266 0.009831 4C 4s -0.051564 0.278078 0.139865 -0.082078 0.067441 -0.190753 4C 5s -0.090212 0.132471 0.038634 -0.024175 0.008050 0.405764 4C 1pz 0.012396 -0.005377 0.001139 0.036603 -0.000227 -0.020984 4C 1px -0.008840 0.000066 -0.004073 -0.113069 -0.004443 -0.004123 4C 1py 0.004366 -0.002921 -0.001186 -0.020452 0.004939 -0.015748 4C 2pz -0.163170 0.134762 0.011103 -0.128873 -0.075504 0.159378 4C 2px 0.192345 -0.019896 0.033004 0.447329 -0.020243 0.051854 4C 2py -0.036665 0.067650 0.017334 0.081870 0.080798 0.067555 4C 3pz 0.056359 0.087129 0.012303 -0.194135 0.030593 -0.325387 4C 3px 0.038475 0.064594 0.008816 0.304831 0.034440 -0.042813 4C 3py 0.054785 0.072282 0.014608 -0.000238 -0.052286 -0.193870 4C 1dz2 -0.000845 0.001862 -0.005745 0.011062 -0.049650 0.001380 4C 1dxz 0.010630 -0.005066 0.010106 -0.009569 -0.021727 -0.002289 4C 1dyz -0.001815 0.001440 0.008580 0.007012 0.027660 -0.023689 4C 1dx2y2 0.001070 0.005093 0.016216 0.002135 -0.032203 0.019036 4C 1dxy 0.006421 0.008654 -0.016876 -0.007803 -0.005282 0.000769 4C 2dz2 -0.015404 -0.016725 0.002725 0.165611 0.037545 -0.020126 4C 2dxz 0.092016 -0.084634 -0.026438 -0.276435 0.001741 0.001198 4C 2dyz 0.027623 -0.002348 0.008448 -0.004035 -0.004537 -0.029173 4C 2dx2y2 -0.024663 0.074414 0.021112 -0.033046 0.020460 -0.001705 4C 2dxy 0.047750 -0.005212 0.003969 -0.220751 0.001764 -0.009496 4C 1f0 0.009682 -0.003761 0.005768 -0.049990 -0.117247 0.050477 4C 1f+1 0.005376 -0.010796 -0.004425 0.090033 -0.059437 0.039625 4C 1f-1 -0.009365 0.003001 -0.008903 -0.105008 -0.021155 0.037131 4C 1f+2 0.003043 0.010857 -0.002862 -0.082432 -0.090713 0.008635 4C 1f-2 0.004365 0.007621 0.014521 0.205005 -0.015901 0.017638 4C 1f+3 -0.007599 0.000417 0.003433 -0.051604 0.010237 -0.000853 4C 1f-3 -0.009509 -0.019430 -0.012089 -0.133615 0.039340 -0.001870 5C 1s -0.000651 0.000568 0.000345 -0.000171 0.000035 -0.000994 5C 2s -0.001157 0.000596 0.000509 -0.000327 0.000212 -0.001487 5C 3s 0.019866 0.047015 0.028087 -0.009182 -0.014050 -0.024478 5C 4s -0.071469 -0.261461 -0.126969 0.055763 0.050046 0.187375 5C 5s -0.070090 -0.104556 -0.016488 0.028871 0.008619 -0.166621 5C 1pz 0.001668 0.006486 -0.036069 0.000211 0.007311 0.000501 5C 1px 0.010390 -0.012989 0.113772 -0.005705 0.004011 0.001951 5C 1py -0.006010 -0.005812 0.020363 0.000895 0.002061 -0.014574 5C 2pz 0.013958 -0.051825 0.120050 0.017581 0.107482 -0.205788 5C 2px -0.190874 -0.032526 -0.437972 0.017633 0.011212 -0.067022 5C 2py 0.051318 0.086635 -0.066328 -0.034334 0.100679 0.013643 5C 3pz 0.040811 -0.088467 0.093835 0.017177 -0.073264 0.099982 5C 3px -0.012052 0.031376 -0.301079 0.029736 -0.018225 0.036405 5C 3py -0.054360 0.107088 -0.042913 -0.029293 -0.046764 -0.048399 5C 1dz2 0.004556 0.007195 -0.005544 0.009117 0.065786 -0.070722 5C 1dxz -0.000034 0.000931 0.007141 -0.019610 0.028067 -0.025290 5C 1dyz -0.004328 0.001799 0.014489 -0.001463 -0.034312 0.026923 5C 1dx2y2 -0.004334 -0.006936 0.008121 -0.005003 0.046359 -0.058826 5C 1dxy 0.005744 0.000692 -0.009710 -0.015455 0.000803 -0.007300 5C 2dz2 0.026559 0.057028 -0.081485 -0.003182 -0.038672 0.005004 5C 2dxz -0.012527 0.005257 0.144868 -0.021084 -0.007062 0.012902 5C 2dyz -0.035922 -0.022995 0.136121 -0.007950 0.007824 -0.029605 5C 2dx2y2 -0.062501 -0.108538 0.150130 0.009819 -0.013196 -0.016625 5C 2dxy 0.035808 0.064367 -0.275058 0.031120 -0.014322 -0.020998 5C 1f0 -0.000492 0.025420 -0.086666 -0.006649 0.017812 -0.010012 5C 1f+1 0.009388 -0.011432 0.112135 -0.002785 0.070063 -0.090005 5C 1f-1 -0.010822 0.016780 -0.094287 0.009819 -0.179049 0.224675 5C 1f+2 0.007773 0.011775 -0.047824 0.003105 0.010146 0.008945 5C 1f-2 0.006772 -0.039197 0.204447 -0.008121 -0.062027 0.109169 5C 1f+3 0.000681 0.007533 0.002533 -0.005363 -0.038989 0.022605 5C 1f-3 0.004821 0.009272 -0.117619 0.005187 0.083942 -0.086604 6C 1s 0.000606 0.000649 0.000343 -0.000165 0.000068 0.000990 6C 2s 0.001103 0.000737 0.000507 -0.000315 0.000261 0.001470 6C 3s -0.022406 0.044636 0.027899 -0.009428 -0.013019 0.025667 6C 4s 0.085572 -0.253030 -0.125276 0.056704 0.042933 -0.191767 6C 5s 0.072461 -0.096000 -0.014918 0.029158 0.013176 0.166170 6C 1pz 0.001544 -0.006390 0.036068 -0.000169 -0.007305 0.000850 6C 1px 0.010512 0.014643 -0.113495 0.005599 -0.003996 0.001927 6C 1py -0.005870 0.005147 -0.020371 -0.000948 -0.002553 -0.014570 6C 2pz 0.014962 0.053977 -0.119466 -0.018528 -0.114754 -0.201750 6C 2px -0.196662 0.005882 0.433700 -0.016460 -0.013229 -0.066152 6C 2py 0.051982 -0.081107 0.066929 0.034571 -0.100876 0.018035 6C 3pz 0.034152 0.094101 -0.093341 -0.017180 0.076740 0.096327 6C 3px -0.013117 -0.033304 0.300086 -0.029243 0.019548 0.036111 6C 3py -0.045941 -0.114839 0.042349 0.029440 0.045233 -0.049918 6C 1dz2 -0.005132 0.006713 -0.005631 0.009263 0.068418 0.068090 6C 1dxz -0.000154 0.001178 0.007122 -0.019483 0.028993 0.024223 6C 1dyz 0.004316 0.002167 0.014601 -0.001546 -0.035371 -0.025580 6C 1dx2y2 0.004792 -0.006389 0.008067 -0.004874 0.048459 0.056938 6C 1dxy -0.005586 0.000066 -0.009948 -0.015318 0.000931 0.007195 6C 2dz2 -0.028741 0.053466 -0.082132 -0.003547 -0.038727 -0.003354 6C 2dxz 0.011710 0.007374 0.144926 -0.021071 -0.007295 -0.012348 6C 2dyz 0.035481 -0.017878 0.136804 -0.007918 0.008913 0.029929 6C 2dx2y2 0.066415 -0.100114 0.151524 0.009879 -0.012907 0.017201 6C 2dxy -0.038827 0.059162 -0.275586 0.031379 -0.013609 0.021154 6C 1f0 0.000010 -0.025630 0.086827 0.006535 -0.018184 -0.009049 6C 1f+1 0.009760 0.012318 -0.111758 0.002523 -0.073423 -0.087420 6C 1f-1 -0.011070 -0.017455 0.093954 -0.009111 0.187375 0.217613 6C 1f+2 0.008078 -0.011089 0.047728 -0.002998 -0.009906 0.009437 6C 1f-2 0.006594 0.040118 -0.204330 0.008098 0.066023 0.106533 6C 1f+3 0.001139 -0.007581 -0.002353 0.005289 0.039903 0.021024 6C 1f-3 0.004789 -0.009314 0.117668 -0.005476 -0.087182 -0.083006 7C 1s 0.000660 -0.000737 -0.000176 -0.000490 -0.000023 -0.002209 7C 2s 0.001089 -0.000898 -0.000136 -0.001258 0.000150 -0.003656 7C 3s -0.008678 -0.052470 -0.027182 0.017454 -0.017485 -0.009300 7C 4s 0.021436 0.281168 0.139033 -0.076948 0.074937 0.188738 7C 5s 0.074385 0.136997 0.039591 -0.025116 -0.008275 -0.406062 7C 1pz 0.011558 0.005963 -0.001021 -0.036739 -0.000519 -0.020868 7C 1px -0.008786 -0.000463 0.003954 0.112947 0.004233 -0.004572 7C 1py 0.003946 0.003196 0.001222 0.020277 -0.005515 -0.015628 7C 2pz -0.146073 -0.144019 -0.011989 0.130145 0.081369 0.156574 7C 2px 0.189644 0.033513 -0.031064 -0.448213 0.022785 0.052058 7C 2py -0.028371 -0.069866 -0.017080 -0.081378 -0.077693 0.071163 7C 3pz 0.061559 -0.084594 -0.010371 0.192871 -0.042361 -0.324299 7C 3px 0.044388 -0.062004 -0.008169 -0.304732 -0.035316 -0.039161 7C 3py 0.060300 -0.069995 -0.013301 -0.000160 0.045137 -0.195928 7C 1dz2 0.000613 0.001931 -0.005678 0.011323 -0.049637 0.000192 7C 1dxz -0.010366 -0.005882 0.010082 -0.009456 -0.021551 0.003041 7C 1dyz 0.001325 0.001785 0.008517 0.007495 0.028401 0.022716 7C 1dx2y2 -0.001669 0.004960 0.016259 0.002054 -0.032887 -0.017978 7C 1dxy -0.006967 0.007949 -0.016991 -0.007785 -0.005410 -0.000644 7C 2dz2 0.017495 -0.015381 0.002835 0.164115 0.038380 0.018363 7C 2dxz -0.081823 -0.090638 -0.026752 -0.274691 0.001710 -0.000286 7C 2dyz -0.026428 -0.003888 0.008317 -0.003249 -0.003354 0.029511 7C 2dx2y2 0.016696 0.075831 0.020800 -0.031675 0.020352 0.000831 7C 2dxy -0.046988 -0.008576 0.003616 -0.220282 0.002082 0.010225 7C 1f0 0.009379 0.004959 -0.006037 0.049353 0.118821 0.046102 7C 1f+1 0.004032 0.011344 0.004327 -0.088744 0.060728 0.037622 7C 1f-1 -0.009105 -0.003410 0.008759 0.105720 0.023758 0.036462 7C 1f+2 0.004118 -0.010522 0.002805 0.082269 0.090387 0.005167 7C 1f-2 0.005348 -0.007381 -0.014385 -0.205122 0.016971 0.017645 7C 1f+3 -0.007347 -0.001413 -0.003560 0.050883 -0.010063 -0.000473 7C 1f-3 -0.011702 0.018491 0.011951 0.133350 -0.039576 -0.000825 8C 1s -0.000333 0.000476 -0.001137 -0.000034 0.000223 -0.000971 8C 2s -0.000434 0.000750 -0.000874 -0.000147 0.000479 -0.000930 8C 3s -0.005709 -0.000190 -0.046855 0.001660 0.003833 -0.032644 8C 4s 0.059577 -0.040073 0.201768 0.012696 -0.040331 0.194457 8C 5s -0.080080 -0.083476 -0.102760 0.035268 -0.018353 -0.246130 8C 1pz -0.000859 0.003255 -0.009621 0.000169 -0.003150 -0.003312 8C 1px 0.000418 -0.005900 0.033909 -0.001538 0.000439 -0.001462 8C 1py 0.001347 -0.003995 0.005487 0.000325 -0.001979 0.001116 8C 2pz -0.018870 -0.007962 0.092776 -0.024059 0.053965 -0.031619 8C 2px -0.024663 0.056797 -0.251788 -0.004462 0.005668 -0.036298 8C 2py 0.038840 0.007272 -0.072780 0.010436 0.009151 0.114650 8C 3pz 0.006528 0.004227 0.017058 -0.002710 -0.044508 -0.004831 8C 3px 0.011836 0.011211 -0.038737 0.000675 -0.006986 0.012558 8C 3py -0.020792 -0.015127 -0.003281 0.003750 -0.032943 -0.065514 8C 1dz2 0.000493 0.001997 -0.011280 0.001155 -0.035497 -0.040831 8C 1dxz 0.003051 -0.004613 0.024002 -0.001582 -0.021833 -0.019826 8C 1dyz -0.004724 -0.002113 0.021780 -0.001976 0.028423 0.018872 8C 1dx2y2 -0.000864 -0.001933 0.022603 -0.002548 -0.030555 -0.045910 8C 1dxy -0.002423 0.006361 -0.032348 0.000603 -0.003856 -0.013868 8C 2dz2 -0.001274 0.012563 -0.068292 0.004389 -0.035999 -0.040360 8C 2dxz 0.008877 -0.021924 0.107948 -0.010902 -0.031741 -0.029339 8C 2dyz -0.014079 -0.027042 0.115336 -0.005507 0.050580 0.019070 8C 2dx2y2 -0.002138 -0.021363 0.139038 -0.016426 -0.048470 -0.085146 8C 2dxy -0.011308 0.041412 -0.192819 0.005078 -0.016790 -0.035868 8C 1f0 -0.000052 0.001246 -0.009118 0.006021 0.016594 0.025655 8C 1f+1 -0.002627 -0.005369 0.038414 -0.005874 0.026414 0.025775 8C 1f-1 0.003970 0.014190 -0.065021 -0.000858 -0.074601 -0.084605 8C 1f+2 0.001073 0.011772 -0.050711 -0.000722 -0.000747 0.015088 8C 1f-2 0.005483 -0.019924 0.101570 -0.000480 -0.023837 -0.015190 8C 1f+3 -0.004363 0.015710 -0.088377 0.010628 -0.007272 -0.016726 8C 1f-3 0.000174 0.021252 -0.126326 0.006970 0.027085 0.040446 9C 1s -0.000392 -0.000170 -0.000019 0.001345 0.000335 0.001597 9C 2s -0.000392 -0.000338 -0.000208 0.000941 0.000510 0.001785 9C 3s -0.017497 0.002010 0.010721 0.049519 0.009481 0.038469 9C 4s 0.113944 0.043714 -0.036789 -0.205550 -0.064438 -0.245947 9C 5s -0.138579 0.055011 0.020691 0.020630 0.031440 0.639670 9C 1pz 0.000789 -0.000924 -0.001090 0.009827 0.002548 0.006097 9C 1px -0.001079 -0.003164 -0.002543 -0.033753 -0.000194 0.000324 9C 1py -0.000511 -0.001108 -0.001446 -0.006978 -0.002253 0.003887 9C 2pz -0.056676 -0.046846 0.015906 -0.143796 -0.000889 0.087229 9C 2px -0.006234 0.017586 0.019114 0.242687 0.001826 0.036805 9C 2py -0.028108 -0.024306 -0.009873 0.006860 0.050982 0.058431 9C 3pz 0.029136 -0.016148 -0.002612 0.007192 0.013512 -0.128616 9C 3px 0.007655 0.019257 0.005330 0.048176 0.014209 -0.034372 9C 3py 0.012453 -0.003745 0.002750 0.024863 -0.033202 -0.095370 9C 1dz2 0.004560 0.000940 0.000660 0.024914 0.026794 -0.001962 9C 1dxz 0.002823 0.000376 -0.000483 -0.037420 0.014984 0.000323 9C 1dyz 0.002460 0.003306 0.000750 0.013301 -0.018950 -0.021055 9C 1dx2y2 0.000273 -0.001043 0.000389 0.000007 0.022689 0.013166 9C 1dxy 0.000763 0.000938 -0.002345 -0.027039 -0.003858 -0.003994 9C 2dz2 0.017392 0.016440 0.010857 0.150235 0.040820 -0.008244 9C 2dxz -0.000511 -0.005020 -0.006159 -0.212676 0.022705 0.017108 9C 2dyz 0.016783 0.009591 -0.003832 0.054604 -0.029648 -0.046411 9C 2dx2y2 -0.002150 -0.014649 0.004355 -0.016418 0.032142 0.009442 9C 2dxy -0.001544 -0.008789 -0.019286 -0.153643 -0.019812 -0.015481 9C 1f0 -0.006298 -0.001876 -0.010315 -0.088865 -0.051319 -0.008556 9C 1f+1 -0.004444 0.001339 0.009227 0.081846 -0.010676 0.006850 9C 1f-1 -0.005730 -0.001733 0.004199 -0.028290 -0.000588 0.017536 9C 1f+2 0.002345 0.001881 0.002968 0.012000 -0.035888 -0.029482 9C 1f-2 -0.003991 0.005666 0.003455 0.162055 -0.006909 0.006314 9C 1f+3 0.001851 0.000004 -0.007716 0.016856 -0.003644 -0.005102 9C 1f-3 0.000135 -0.003846 -0.005116 -0.060051 0.016362 0.011497 10H 1s 0.001037 0.001117 -0.001998 -0.022537 0.002102 -0.016994 10H 2s 0.007913 0.018123 0.005378 0.066401 0.011714 -0.021029 10H 3s -0.019252 0.003874 -0.002805 -0.052135 0.000641 0.051898 10H 1pz 0.001733 0.004007 0.001941 0.023323 0.002424 -0.005815 10H 1px -0.003291 -0.002477 0.000678 -0.003261 -0.003557 0.012228 10H 1py 0.000565 0.002538 0.004233 0.019076 0.003412 -0.003702 11H 1s 0.002691 0.001180 -0.001741 0.042781 -0.016900 0.004222 11H 2s 0.001086 0.002124 -0.014791 0.065611 -0.007796 0.021785 11H 3s -0.002853 -0.007990 -0.002583 -0.013344 -0.019412 0.043258 11H 1pz 0.003094 0.001152 -0.002215 0.021470 -0.002438 -0.001463 11H 1px 0.001017 0.000766 -0.002119 0.023220 -0.006943 0.004869 11H 1py 0.000529 -0.002396 0.003745 -0.021283 0.008792 -0.004318 12H 1s 0.001740 0.000448 0.009090 0.055690 0.015554 -0.013279 12H 2s 0.000995 0.000553 0.018964 0.057839 0.018480 -0.007558 12H 3s -0.009589 -0.010463 -0.008712 -0.006140 0.010449 0.041760 12H 1pz 0.001786 -0.001681 -0.005969 -0.019518 -0.007091 0.001908 12H 1px 0.000434 -0.000597 0.003500 0.022481 0.004758 -0.001316 12H 1py 0.002105 0.000524 0.007025 0.029590 0.010744 -0.011627 13H 1s 0.003262 -0.002575 0.023398 -0.003333 0.004138 0.002322 13H 2s -0.003862 0.003805 -0.060403 0.001463 0.014150 -0.019439 13H 3s -0.003777 -0.001897 0.052588 -0.005875 0.008666 -0.025120 13H 1pz 0.000292 0.002455 -0.019798 0.001707 0.006081 -0.006077 13H 1px 0.000080 0.000919 -0.006514 0.002677 -0.003348 0.000735 13H 1py -0.000157 -0.002601 0.016883 -0.000350 -0.000612 0.001008 14H 1s 0.001606 0.007273 -0.052239 0.007758 0.014008 -0.014893 14H 2s -0.000411 0.002385 -0.039151 0.017712 0.028130 -0.045953 14H 3s -0.007507 0.013112 0.000041 -0.005493 0.015367 -0.030376 14H 1pz 0.000789 -0.000119 -0.005951 0.002590 0.008062 -0.009573 14H 1px 0.000784 0.004172 -0.031663 0.006831 0.012549 -0.016786 14H 1py 0.000669 0.001593 -0.014402 0.004789 0.005042 -0.006026 15H 1s -0.002166 0.005896 -0.029915 -0.001723 -0.025576 0.036717 15H 2s -0.007815 0.013282 -0.042931 -0.008223 -0.015638 0.032619 15H 3s -0.000327 0.006596 0.020700 -0.004341 -0.023747 -0.005468 15H 1pz 0.003046 -0.003423 0.018272 0.002217 0.014822 -0.019445 15H 1px -0.000130 -0.000274 0.000623 0.000722 -0.001376 0.004156 15H 1py 0.001388 -0.004455 0.020321 0.001940 0.008031 -0.018791 16H 1s -0.085249 -0.085814 -0.018124 0.010404 -0.001677 0.002465 16H 2s -0.243872 -0.282788 -0.063052 -0.014597 -0.004493 -0.051995 16H 3s 0.021038 0.027719 0.003397 0.002757 0.000671 0.008971 16H 1pz -0.052971 -0.054739 -0.018777 0.002806 -0.000750 -0.007899 16H 1px 0.127071 0.118649 0.038907 -0.026782 0.001358 -0.013267 16H 1py -0.210589 -0.236222 -0.038579 0.003639 -0.004863 -0.014715 17H 1s 0.083269 0.088570 0.020253 -0.005552 0.001038 0.005814 17H 2s 0.260507 0.286838 0.041896 -0.035571 0.006425 -0.011496 17H 3s -0.018942 -0.025739 -0.003084 -0.001259 -0.001305 -0.000648 17H 1pz 0.067277 0.066862 0.022140 -0.004938 0.000895 0.006129 17H 1px -0.117212 -0.109557 -0.039128 0.031381 -0.001881 0.004970 17H 1py 0.207732 0.235036 0.035686 -0.002679 0.003268 0.014329 18H 1s -0.091643 0.081101 0.018764 -0.005473 0.000736 -0.005852 18H 2s -0.284570 0.260475 0.039413 -0.037228 0.006427 0.010310 18H 3s 0.021067 -0.023628 -0.002751 -0.001307 -0.001373 0.001106 18H 1pz 0.067244 -0.054786 -0.019956 0.004842 -0.000547 0.005632 18H 1px -0.127688 0.098676 0.037912 -0.032743 0.002063 0.005273 18H 1py 0.230216 -0.216873 -0.032698 0.002248 -0.002317 0.015306 19H 1s 0.092869 -0.077780 -0.017098 0.010731 -0.001683 -0.002337 19H 2s 0.270618 -0.261201 -0.057448 -0.015470 -0.002086 0.052797 19H 3s -0.024290 0.026436 0.003262 0.002697 0.000246 -0.009196 19H 1pz -0.052468 0.044982 0.016245 -0.002491 0.000319 -0.007539 19H 1px 0.139561 -0.109271 -0.036361 0.026910 -0.001784 -0.013463 19H 1py -0.231615 0.216070 0.035943 -0.003625 0.003995 -0.015904 20H 1s 0.002125 0.006315 -0.030676 -0.001812 -0.026880 -0.035685 20H 2s 0.007375 0.014618 -0.043890 -0.008402 -0.017162 -0.032381 20H 3s -0.000429 0.006261 0.020859 -0.004572 -0.023475 0.006736 20H 1pz 0.002969 0.003957 -0.018779 -0.002287 -0.015615 -0.018980 20H 1px -0.000213 0.000147 -0.000213 -0.000675 0.001674 0.004275 20H 1py 0.001343 0.004682 -0.020652 -0.001998 -0.008736 -0.018516 21H 1s -0.001473 0.007241 -0.052430 0.007713 0.014740 0.014532 21H 2s 0.000875 0.002735 -0.040231 0.017691 0.029743 0.044818 21H 3s 0.005505 0.014122 0.000756 -0.005269 0.016518 0.029702 21H 1pz 0.000695 0.000072 0.006592 -0.002706 -0.008486 -0.009318 21H 1px 0.000599 -0.004211 0.031921 -0.006770 -0.013161 -0.016285 21H 1py 0.000587 -0.001455 0.014446 -0.004728 -0.005364 -0.005986 22H 1s -0.003322 -0.003029 0.022935 -0.003185 0.003936 -0.002679 22H 2s 0.004442 0.004178 -0.061650 0.001744 0.014461 0.018042 22H 3s 0.002690 -0.001580 0.053246 -0.005996 0.009345 0.024852 22H 1pz 0.000130 -0.002351 0.020098 -0.001775 -0.006181 -0.005611 22H 1px 0.000067 -0.000865 0.006068 -0.002529 0.003264 0.000393 22H 1py -0.000010 0.002552 -0.017307 0.000331 0.000617 0.000867 23H 1s -0.001836 0.000543 0.009023 0.055857 0.016260 0.012495 23H 2s -0.001276 0.000610 0.019236 0.059895 0.018408 0.006283 23H 3s 0.010283 -0.010122 -0.008687 -0.007918 0.009016 -0.041897 23H 1pz 0.001504 0.001865 0.005984 0.019629 0.007280 0.001544 23H 1px 0.000371 0.000580 -0.003361 -0.021995 -0.004642 -0.000908 23H 1py 0.002220 -0.000531 -0.007146 -0.030747 -0.011193 -0.011067 24H 1s -0.002802 0.000949 -0.001851 0.043825 -0.016832 -0.003494 24H 2s -0.001080 0.001902 -0.015031 0.066241 -0.008946 -0.021620 24H 3s 0.003447 -0.007779 -0.002311 -0.013677 -0.020777 -0.042796 24H 1pz 0.003128 -0.000916 0.002267 -0.021459 0.002375 -0.001568 24H 1px 0.001056 -0.000673 0.002267 -0.024362 0.007240 0.004693 24H 1py 0.000310 0.002329 -0.003808 0.021184 -0.008856 -0.003879 25H 1s -0.001204 0.000998 -0.001892 -0.022007 0.002654 0.017023 25H 2s -0.009754 0.017413 0.005347 0.067421 0.011982 0.020296 25H 3s 0.018280 0.004846 -0.002483 -0.052561 -0.001701 -0.051933 25H 1pz 0.002141 -0.003859 -0.001871 -0.023819 -0.002526 -0.005725 25H 1px -0.003548 0.002194 -0.000569 0.003761 0.003884 0.012058 25H 1py 0.000796 -0.002430 -0.004186 -0.018921 -0.003436 -0.003317 26O 1s -0.000207 -0.000247 -0.000050 0.001762 0.000076 -0.001127 26O 2s -0.000917 -0.001042 -0.000312 0.004993 0.000185 -0.003824 26O 3s 0.016054 0.018991 0.008125 -0.026623 0.000583 0.032844 26O 4s -0.058063 -0.063158 -0.027969 0.065028 -0.005643 -0.062022 26O 5s -0.094490 -0.111251 -0.069727 -0.182424 -0.019498 0.114113 26O 1pz 0.001574 -0.002889 0.003568 0.003220 -0.011129 0.007295 26O 1px -0.003851 0.000084 0.003179 0.051135 -0.004960 -0.003806 26O 1py -0.003001 0.000460 -0.008720 0.021417 0.017858 -0.005824 26O 2pz -0.002537 0.015491 0.000946 0.001409 0.027258 -0.026383 26O 2px 0.046648 0.034363 0.016898 -0.073421 0.018753 -0.006293 26O 2py 0.021548 0.017626 0.025223 -0.028208 -0.037142 0.003211 26O 3pz -0.014746 0.024741 0.014889 0.158649 -0.005980 0.066515 26O 3px 0.036368 0.065084 0.034488 0.167240 0.002185 0.009851 26O 3py 0.007243 0.067505 0.001034 0.167253 0.029418 0.032499 26O 1dz2 -0.000535 -0.001087 -0.017831 -0.067397 0.031617 -0.015566 26O 1dxz 0.002300 0.002070 0.003370 0.007703 -0.019399 0.011048 26O 1dyz 0.006741 -0.004534 0.006568 -0.076584 -0.034639 0.002198 26O 1dx2y2 -0.002676 -0.003026 0.001530 0.032438 -0.017553 0.002976 26O 1dxy -0.006725 -0.004519 -0.015804 0.008164 0.052421 -0.022370 26O 2dz2 0.008860 0.007895 0.006570 -0.005841 0.003143 -0.004964 26O 2dxz 0.000817 -0.005515 -0.002692 -0.003046 -0.002347 0.002589 26O 2dyz 0.001433 -0.002910 -0.004114 -0.036545 -0.003350 -0.001238 26O 2dx2y2 -0.011349 -0.010027 -0.005900 -0.016858 -0.002250 0.004298 26O 2dxy -0.009499 -0.013828 -0.006632 -0.026992 -0.001169 0.002104 26O 1f0 -0.001856 0.011283 -0.036967 0.067018 -0.021456 0.001696 26O 1f+1 0.005335 0.017454 -0.018436 0.150711 -0.158959 0.093374 26O 1f-1 -0.000380 0.002655 -0.005861 0.145484 -0.019067 -0.003225 26O 1f+2 0.008261 -0.012636 -0.069569 -0.308069 -0.021787 -0.014173 26O 1f-2 -0.022160 0.010527 0.001796 0.204115 0.155665 -0.026734 26O 1f+3 0.006694 -0.009838 0.023193 -0.080948 -0.065936 0.022504 26O 1f-3 -0.007911 -0.011546 0.006374 -0.074782 0.175488 -0.054617 27O 1s 0.000467 0.000729 -0.002070 -0.000009 -0.000187 0.000988 27O 2s 0.001933 0.002614 -0.006052 -0.000071 -0.000631 0.003151 27O 3s -0.028225 -0.031692 0.032878 0.002915 0.006950 -0.024275 27O 4s 0.091803 0.096993 -0.061130 -0.011167 -0.021683 0.033944 27O 5s 0.165213 0.211216 0.302658 -0.039437 0.011156 -0.040717 27O 1pz 0.001506 0.000193 0.003010 -0.008028 0.022926 -0.030670 27O 1px 0.004974 0.018189 -0.055504 -0.000064 0.001289 0.001322 27O 1py 0.002170 -0.002111 0.007849 -0.006315 0.015779 -0.018354 27O 2pz -0.000451 0.001633 -0.006773 0.013059 -0.054989 0.075450 27O 2px -0.062413 -0.090496 0.051271 0.006871 0.000526 0.012830 27O 2py 0.005505 0.015826 0.006387 0.008094 -0.035762 0.040219 27O 3pz 0.009246 0.022487 -0.063715 -0.012958 0.031684 -0.051635 27O 3px -0.086006 -0.054485 -0.230219 0.035062 0.002758 0.000618 27O 3py 0.020318 -0.037071 0.162225 -0.033696 0.016843 -0.015315 27O 1dz2 -0.005580 -0.003071 0.002905 0.017990 -0.056951 0.065408 27O 1dxz 0.001824 -0.004293 0.009654 -0.007613 0.063915 -0.082168 27O 1dyz 0.002187 0.014795 -0.080045 -0.002084 0.002782 -0.014862 27O 1dx2y2 0.001580 0.015733 -0.071338 0.008558 -0.007057 0.009427 27O 1dxy 0.000930 0.003475 -0.015232 -0.010802 0.051929 -0.070089 27O 2dz2 -0.011868 -0.008770 -0.028046 -0.000212 -0.003625 0.008108 27O 2dxz -0.001111 -0.002463 -0.003491 0.000467 0.003908 -0.005514 27O 2dyz -0.000509 0.006477 -0.032255 0.002303 0.000136 -0.003487 27O 2dx2y2 0.016813 0.018291 0.017849 -0.004016 -0.002335 -0.005357 27O 2dxy -0.009223 -0.004875 -0.023092 0.001655 -0.000093 -0.001004 27O 1f0 0.001654 0.003594 -0.021283 -0.002586 0.035913 -0.050998 27O 1f+1 0.007729 -0.018012 0.062354 0.017550 0.289164 -0.352239 27O 1f-1 0.006487 0.008597 -0.046909 -0.056128 0.054313 -0.086923 27O 1f+2 -0.010529 -0.029545 0.183880 0.010120 -0.144717 0.183616 27O 1f-2 -0.002884 -0.054029 0.349088 -0.046197 -0.041305 0.100146 27O 1f+3 -0.012266 0.018000 -0.106641 -0.021493 -0.106126 0.115679 27O 1f-3 0.007532 -0.014777 0.087591 0.009148 0.178626 -0.213058 28O 1s 0.000647 -0.000349 -0.000241 -0.002336 -0.000071 -0.001066 28O 2s 0.002583 -0.001494 -0.000828 -0.006925 -0.000235 -0.003607 28O 3s -0.036627 0.025859 0.009291 0.042033 0.003050 0.030757 28O 4s 0.120476 -0.092604 -0.026721 -0.083251 -0.011870 -0.060020 28O 5s 0.186861 -0.251199 -0.039940 0.311675 0.005071 0.160223 28O 1pz 0.003417 -0.005139 -0.007231 -0.033690 -0.011761 0.002367 28O 1px -0.004636 0.008101 0.001166 0.048841 -0.005926 0.006028 28O 1py -0.002941 -0.001816 0.006741 -0.004622 0.017939 -0.005077 28O 2pz -0.047042 0.055591 0.018558 0.024246 0.027100 -0.021150 28O 2px 0.060134 -0.067744 -0.012471 -0.061360 0.009337 -0.001117 28O 2py 0.001513 0.010624 -0.008842 0.000623 -0.038748 0.006679 28O 3pz -0.078394 0.038795 0.014837 -0.240124 -0.016737 0.044083 28O 3px 0.093953 -0.072940 -0.025263 0.126430 -0.007881 0.026382 28O 3py -0.016766 -0.021325 0.016345 -0.104566 0.020138 0.024362 28O 1dz2 -0.002207 0.002267 0.008547 0.032423 -0.003879 0.001739 28O 1dxz -0.005817 0.000611 0.012306 0.058525 0.034674 -0.012930 28O 1dyz -0.002438 0.002696 0.003185 0.076416 0.017871 -0.016370 28O 1dx2y2 -0.000902 -0.006819 0.010144 -0.032722 0.041634 -0.019367 28O 1dxy 0.002909 0.002887 -0.007938 0.039132 -0.049712 0.010280 28O 2dz2 0.001587 -0.000830 -0.000877 0.018226 0.003397 -0.001069 28O 2dxz -0.023449 0.023193 0.003194 -0.024384 0.001885 -0.006749 28O 2dyz 0.002459 -0.000825 0.002098 0.033483 0.000270 -0.001652 28O 2dx2y2 0.014146 -0.013774 -0.004543 0.019512 0.000383 0.002839 28O 2dxy -0.003210 0.003300 0.001824 0.012569 0.000236 -0.001129 28O 1f0 0.005315 -0.004233 0.073040 -0.060000 -0.110290 0.060081 28O 1f+1 0.001283 0.001003 0.010821 -0.097288 -0.069026 0.029306 28O 1f-1 0.004319 -0.012485 -0.012290 -0.315651 0.030021 0.003354 28O 1f+2 0.003066 -0.007865 0.040703 0.052298 0.040355 -0.030072 28O 1f-2 -0.004871 -0.005149 0.025507 0.052076 0.084831 -0.057432 28O 1f+3 0.024562 0.004773 0.005413 -0.117149 -0.189606 0.063920 28O 1f-3 -0.008155 -0.006452 -0.028105 -0.235365 0.132190 -0.013186 29O 1s -0.000117 0.000037 -0.000050 -0.000212 0.000002 -0.000207 29O 2s -0.000403 0.000053 -0.000115 -0.000561 0.000027 -0.000595 29O 3s 0.004812 0.000529 0.000109 0.003058 -0.000556 0.004084 29O 4s -0.011533 -0.002115 -0.000299 -0.008353 0.002197 -0.012506 29O 5s 0.005580 -0.004299 0.018186 0.056647 -0.003254 0.063185 29O 1pz 0.068882 0.071567 0.015850 -0.005157 0.001318 0.002291 29O 1px 0.024704 0.028026 0.005170 -0.002754 0.000176 -0.000433 29O 1py -0.006392 -0.006877 -0.000813 0.001750 -0.000278 -0.000987 29O 2pz -0.343972 -0.363871 -0.079876 0.025227 -0.006238 -0.015618 29O 2px -0.126449 -0.138221 -0.026222 0.015871 -0.001976 0.003395 29O 2py 0.033369 0.035207 0.003628 -0.010640 0.000773 -0.000586 29O 3pz -0.132645 -0.173531 -0.014293 -0.019063 -0.004109 -0.022351 29O 3px -0.057922 -0.064304 -0.001968 -0.012277 -0.000049 -0.010591 29O 3py 0.019142 0.020673 -0.017383 -0.025408 0.000965 -0.031101 29O 1dz2 0.006776 0.009672 -0.003834 0.006294 0.000593 0.000258 29O 1dxz -0.008111 -0.020952 0.006662 -0.010190 0.000294 -0.007484 29O 1dyz -0.010355 -0.019159 0.005708 -0.010251 -0.000011 -0.004679 29O 1dx2y2 -0.006095 -0.007971 0.003703 -0.007201 -0.001038 -0.000538 29O 1dxy -0.001291 -0.003079 0.000644 -0.003520 -0.000647 0.002285 29O 2dz2 0.072852 0.079812 0.016357 -0.004022 0.001560 0.004963 29O 2dxz -0.066794 -0.074553 -0.013638 0.005120 -0.001281 -0.005171 29O 2dyz 0.113851 0.120600 0.026533 -0.010729 0.001884 0.004805 29O 2dx2y2 -0.020682 -0.023432 -0.004525 0.000175 -0.000125 -0.001995 29O 2dxy 0.052050 0.055149 0.013436 -0.004663 0.000999 -0.000907 29O 1f0 -0.464906 -0.510544 -0.089524 0.018376 -0.009273 -0.023355 29O 1f+1 -0.466427 -0.459182 -0.126597 0.067487 -0.005183 0.017581 29O 1f-1 0.149113 0.160963 0.038021 -0.011480 0.002915 0.009133 29O 1f+2 -0.214799 -0.278006 -0.000444 -0.040772 -0.005580 -0.034495 29O 1f-2 0.041854 0.066795 -0.001623 0.016474 0.001100 0.025370 29O 1f+3 0.040350 0.076932 -0.009105 0.033017 -0.000943 0.026484 29O 1f-3 -0.020892 -0.035570 0.009247 -0.019710 -0.001249 0.002943 30O 1s -0.000054 -0.000099 0.002092 -0.000129 -0.000021 0.000887 30O 2s -0.000387 -0.000100 0.006239 -0.000450 -0.000093 0.002840 30O 3s 0.010078 -0.007408 -0.042345 0.006323 0.002137 -0.021331 30O 4s -0.042583 0.022973 0.105189 -0.024240 -0.007377 0.028630 30O 5s -0.068750 0.136283 -0.211479 -0.056034 0.002009 -0.035671 30O 1pz 0.000037 -0.002388 0.026827 0.004719 0.023314 -0.026104 30O 1px 0.003048 0.007151 -0.043094 0.005344 0.003262 -0.010487 30O 1py 0.001194 0.003626 -0.027462 0.006736 0.016305 -0.021064 30O 2pz 0.015192 -0.013745 -0.039390 0.003456 -0.050986 0.071146 30O 2px -0.031940 0.002739 0.075058 -0.021502 -0.008319 0.012362 30O 2py -0.018048 0.012220 0.038308 -0.021251 -0.040219 0.041791 30O 3pz -0.002912 -0.044349 0.136971 0.016072 0.034888 -0.047524 30O 3px -0.016899 0.045754 -0.059082 -0.011170 0.008665 -0.008880 30O 3py -0.000726 0.095533 -0.186253 0.016531 0.015525 -0.020040 30O 1dz2 -0.000177 -0.006345 0.019726 -0.003554 0.029345 -0.043015 30O 1dxz -0.002368 0.007225 -0.044729 -0.012618 -0.080219 0.096282 30O 1dyz -0.000198 -0.015544 0.050235 0.003827 0.011278 -0.020372 30O 1dx2y2 -0.003018 -0.003479 0.035224 -0.010377 -0.015582 0.022578 30O 1dxy -0.007761 -0.011739 0.076841 -0.011312 -0.054022 0.067755 30O 2dz2 0.002581 -0.003559 0.014310 0.001592 -0.000501 -0.000071 30O 2dxz 0.007293 -0.008813 0.007885 0.004998 -0.002787 0.011067 30O 2dyz 0.004871 -0.015489 0.041285 -0.000529 0.004369 -0.002789 30O 2dx2y2 -0.003646 -0.000674 0.004042 -0.000059 0.001070 -0.003225 30O 2dxy -0.008372 0.007576 0.005994 -0.002948 -0.002771 -0.001809 30O 1f0 0.011652 0.051548 -0.216866 -0.013176 0.154517 -0.192291 30O 1f+1 -0.001548 -0.038590 0.163892 -0.015242 0.173175 -0.221851 30O 1f-1 0.005633 0.022266 -0.107131 0.076000 -0.022561 0.037834 30O 1f+2 -0.006679 0.024796 -0.124342 0.006964 -0.220377 0.282622 30O 1f-2 -0.000885 -0.006449 0.003918 0.014538 0.048040 -0.071125 30O 1f+3 -0.000076 -0.050639 0.235755 -0.006620 0.061024 -0.086876 30O 1f-3 0.018263 0.041914 -0.177886 -0.023954 0.212780 -0.240493 31O 1s 0.000038 -0.000083 0.002093 -0.000132 -0.000049 -0.000884 31O 2s 0.000336 -0.000020 0.006243 -0.000463 -0.000180 -0.002828 31O 3s -0.009559 -0.009000 -0.042424 0.006505 0.002739 0.021138 31O 4s 0.042240 0.029187 0.105317 -0.024738 -0.007972 -0.027878 31O 5s 0.064342 0.147483 -0.208723 -0.057312 0.003279 0.035742 31O 1pz 0.000197 0.002318 -0.026798 -0.004711 -0.024307 -0.025253 31O 1px 0.003026 -0.006633 0.043140 -0.005326 -0.003618 -0.010256 31O 1py 0.001303 -0.003421 0.027534 -0.006732 -0.017053 -0.020281 31O 2pz 0.014546 0.015937 0.039556 -0.003624 0.053700 0.069396 31O 2px -0.031756 -0.007344 -0.075555 0.021650 0.008663 0.011665 31O 2py -0.018080 -0.014584 -0.038756 0.021436 0.041635 0.039679 31O 3pz -0.002497 0.045448 -0.136742 -0.016804 -0.036598 -0.046063 31O 3px -0.015932 -0.050095 0.058232 0.011805 -0.008975 -0.008304 31O 3py 0.003467 -0.096749 0.186166 -0.016047 -0.016505 -0.018639 31O 1dz2 0.000344 -0.006374 0.019762 -0.003490 0.030992 0.041931 31O 1dxz 0.002392 0.007270 -0.044642 -0.012730 -0.083781 -0.093051 31O 1dyz 0.000767 -0.015410 0.050052 0.003899 0.012010 0.020004 31O 1dx2y2 0.003047 -0.003006 0.035328 -0.010359 -0.016433 -0.021949 31O 1dxy 0.007681 -0.011058 0.077025 -0.011340 -0.056527 -0.065471 31O 2dz2 -0.002513 -0.003922 0.014237 0.001613 -0.000499 0.000082 31O 2dxz -0.007127 -0.009886 0.007767 0.005081 -0.003203 -0.010993 31O 2dyz -0.004531 -0.015985 0.041220 -0.000410 0.004444 0.002644 31O 2dx2y2 0.003686 0.000047 0.004165 -0.000071 0.001173 0.003183 31O 2dxy 0.008169 0.008634 0.006169 -0.003055 -0.002676 0.002013 31O 1f0 0.013427 -0.050770 0.217335 0.012421 -0.161494 -0.185531 31O 1f+1 -0.001997 0.037872 -0.163607 0.014566 -0.181508 -0.215366 31O 1f-1 0.005751 -0.020955 0.106996 -0.075106 0.023782 0.036944 31O 1f+2 -0.006553 -0.024640 0.123717 -0.006066 0.230700 0.273747 31O 1f-2 -0.001135 0.006004 -0.003830 -0.014691 -0.050763 -0.069316 31O 1f+3 -0.000614 0.050074 -0.235478 0.006166 -0.064431 -0.084972 31O 1f-3 0.019826 -0.040948 0.178398 0.023117 -0.221749 -0.231634 32O 1s 0.000125 0.000000 -0.000038 -0.000219 0.000010 0.000208 32O 2s 0.000444 -0.000065 -0.000084 -0.000582 0.000052 0.000595 32O 3s -0.005362 0.001596 -0.000039 0.003158 -0.000753 -0.004066 32O 4s 0.013692 -0.005287 -0.000093 -0.008545 0.002830 0.012400 32O 5s -0.010932 0.004449 0.015892 0.058489 -0.005893 -0.062928 32O 1pz 0.075539 -0.065375 -0.014856 0.005325 -0.001178 0.002400 32O 1px 0.027195 -0.025584 -0.004649 0.002670 -0.000164 -0.000397 32O 1py -0.004880 0.004317 0.000418 -0.001682 0.000216 -0.000956 32O 2pz -0.377993 0.332965 0.074554 -0.026037 0.005310 -0.016112 32O 2px -0.137632 0.124909 0.023994 -0.016019 0.001942 0.003222 32O 2py 0.026214 -0.022580 -0.001777 0.010420 -0.000637 -0.000865 32O 3pz -0.148168 0.160168 0.012123 0.018714 0.002889 -0.022979 32O 3px -0.064619 0.061368 0.000902 0.012361 -0.000688 -0.010635 32O 3py 0.015926 -0.014137 0.017116 0.026270 -0.002076 -0.031405 32O 1dz2 -0.007732 0.009476 -0.003947 0.006776 0.000548 -0.000635 32O 1dxz 0.010377 -0.020023 0.006410 -0.010367 0.000649 0.007741 32O 1dyz 0.012302 -0.018320 0.005515 -0.010573 0.000237 0.004940 32O 1dx2y2 0.006929 -0.007687 0.003631 -0.007116 -0.000956 0.000688 32O 1dxy 0.001759 -0.003387 0.000720 -0.003887 -0.000717 -0.001973 32O 2dz2 -0.074642 0.068267 0.014018 -0.003544 0.001212 -0.004965 32O 2dxz 0.076616 -0.070911 -0.013373 0.005533 -0.001022 0.005476 32O 2dyz -0.126861 0.111865 0.025092 -0.011118 0.001613 -0.005022 32O 2dx2y2 0.026351 -0.024697 -0.004765 0.000361 -0.000054 0.002139 32O 2dxy -0.054353 0.047797 0.012244 -0.004691 0.000927 0.000980 32O 1f0 -0.522761 0.476340 0.086429 -0.020700 0.007900 -0.024945 32O 1f+1 -0.505437 0.415695 0.116887 -0.067272 0.005326 0.017302 32O 1f-1 0.121362 -0.106596 -0.030423 0.011948 -0.001848 0.006859 32O 1f+2 -0.244356 0.263367 -0.001891 0.043094 0.003700 -0.037793 32O 1f-2 0.023610 -0.039686 0.005568 -0.017402 0.000169 0.025182 32O 1f+3 0.049928 -0.075761 0.010286 -0.035094 0.002256 0.027787 32O 1f-3 -0.018035 0.027367 -0.009767 0.018968 0.001077 0.003800 33O 1s -0.000599 -0.000381 -0.000239 -0.002329 -0.000020 0.001070 33O 2s -0.002384 -0.001630 -0.000826 -0.006903 -0.000066 0.003622 33O 3s 0.033380 0.028001 0.009337 0.041977 0.001625 -0.030903 33O 4s -0.108870 -0.100043 -0.027009 -0.083536 -0.009114 0.060617 33O 5s -0.160723 -0.263927 -0.040701 0.312987 -0.002040 -0.160142 33O 1pz 0.002937 0.005559 0.007276 0.033679 0.011858 0.001846 33O 1px -0.003842 -0.008347 -0.001173 -0.048579 0.006138 0.005935 33O 1py -0.003050 0.001458 -0.006731 0.004583 -0.018043 -0.004464 33O 2pz -0.041162 -0.059439 -0.018779 -0.024386 -0.027994 -0.019824 33O 2px 0.052823 0.071879 0.012689 0.060730 -0.009195 -0.001093 33O 2py 0.002492 -0.010445 0.008837 -0.000479 0.038749 0.005357 33O 3pz -0.072559 -0.042378 -0.015282 0.237824 0.018203 0.041797 33O 3px 0.084733 0.077813 0.025606 -0.126389 0.008981 0.026558 33O 3py -0.018373 0.020446 -0.016839 0.104111 -0.019039 0.024043 33O 1dz2 0.001815 0.002512 0.008520 0.032378 -0.003938 -0.001717 33O 1dxz 0.005670 0.001353 0.012288 0.058465 0.035208 0.011620 33O 1dyz 0.001923 0.002797 0.003224 0.076681 0.018547 0.015605 33O 1dx2y2 0.001444 -0.006535 0.010063 -0.032761 0.042256 0.017952 33O 1dxy -0.002967 0.002596 -0.007840 0.039032 -0.049844 -0.008622 33O 2dz2 -0.001447 -0.000988 -0.000891 0.018056 0.003466 0.000959 33O 2dxz 0.020883 0.024888 0.003305 -0.024243 0.002215 0.006678 33O 2dyz -0.002414 -0.001130 0.002095 0.033585 0.000348 0.001586 33O 2dx2y2 -0.012595 -0.014713 -0.004626 0.019420 0.000205 -0.002902 33O 2dxy 0.002843 0.003667 0.001834 0.012530 0.000331 0.001103 33O 1f0 0.005877 0.004411 -0.073425 0.057996 0.112595 0.056096 33O 1f+1 0.001595 -0.000863 -0.010796 0.096675 0.069973 0.026644 33O 1f-1 0.002539 0.012660 0.011856 0.315259 -0.029256 0.003765 33O 1f+2 0.002883 0.007339 -0.040515 -0.053568 -0.041885 -0.028652 33O 1f-2 -0.004761 0.004353 -0.025409 -0.053191 -0.087205 -0.054449 33O 1f+3 0.024895 -0.002784 -0.005680 0.116151 0.191481 0.056982 33O 1f-3 -0.009231 0.005717 0.028244 0.235669 -0.131772 -0.008987 34O 1s -0.000480 0.000655 -0.002081 -0.000012 -0.000219 -0.000979 34O 2s -0.001996 0.002320 -0.006095 -0.000079 -0.000732 -0.003118 34O 3s 0.029365 -0.027582 0.033561 0.002946 0.007669 0.023816 34O 4s -0.095428 0.083716 -0.063661 -0.011135 -0.022431 -0.032336 34O 5s -0.181662 0.190176 0.299917 -0.038959 0.012978 0.040005 34O 1pz 0.001686 -0.000296 -0.002968 0.007898 -0.024048 -0.029798 34O 1px 0.005753 -0.017634 0.055514 0.000063 -0.001296 0.001429 34O 1py 0.002092 0.002338 -0.007828 0.006243 -0.016443 -0.017729 34O 2pz -0.000713 -0.000962 0.006752 -0.012851 0.057759 0.073356 34O 2px -0.067747 0.082619 -0.052473 -0.006686 0.000227 0.013037 34O 2py 0.006677 -0.015280 -0.006181 -0.008069 0.037202 0.038745 34O 3pz 0.010134 -0.021531 0.063467 0.013356 -0.033574 -0.050260 34O 3px -0.088267 0.040588 0.227470 -0.034640 -0.002342 0.001414 34O 3py 0.017083 0.041104 -0.161127 0.033986 -0.017635 -0.015584 34O 1dz2 0.006088 -0.003004 0.002974 0.017563 -0.059442 -0.063196 34O 1dxz -0.001839 -0.004254 0.009595 -0.007437 0.066912 0.079600 34O 1dyz -0.002351 0.014569 -0.080153 -0.001980 0.003257 0.014635 34O 1dx2y2 -0.001761 0.015367 -0.071442 0.008377 -0.007402 -0.009250 34O 1dxy -0.000873 0.003412 -0.015396 -0.010583 0.054510 0.068014 34O 2dz2 0.012650 -0.007295 -0.027782 -0.000280 -0.003958 -0.008041 34O 2dxz 0.001271 -0.002200 -0.003413 0.000400 0.004124 0.005355 34O 2dyz 0.000458 0.006475 -0.032320 0.002312 0.000244 0.003443 34O 2dx2y2 -0.017955 0.015991 0.017405 -0.003965 -0.002081 0.005583 34O 2dxy 0.009777 -0.003914 -0.022937 0.001598 -0.000061 0.000983 34O 1f0 0.001894 -0.003461 0.021383 0.002536 -0.037482 -0.049243 34O 1f+1 0.007562 0.017993 -0.061927 -0.017940 -0.302392 -0.341002 34O 1f-1 0.006772 -0.008603 0.047333 0.055274 -0.057463 -0.084706 34O 1f+2 -0.010620 0.028560 -0.184292 -0.009650 0.151382 0.177463 34O 1f-2 -0.002281 0.052938 -0.349082 0.045836 0.044637 0.097747 34O 1f+3 -0.012281 -0.019400 0.106537 0.021422 0.110477 0.111616 34O 1f-3 0.007411 0.015438 -0.087173 -0.009439 -0.186565 -0.206127 35O 1s 0.000233 -0.000231 -0.000051 0.001751 0.000129 0.001123 35O 2s 0.001027 -0.000972 -0.000309 0.004950 0.000365 0.003816 35O 3s -0.018127 0.017772 0.007945 -0.025934 -0.000994 -0.032908 35O 4s 0.065345 -0.058944 -0.027059 0.062302 -0.002597 0.062282 35O 5s 0.103638 -0.103807 -0.068424 -0.183212 -0.023585 -0.113163 35O 1pz 0.001367 0.002967 -0.003654 -0.003351 0.011425 0.006944 35O 1px -0.003626 -0.000375 -0.003228 -0.051001 0.004776 -0.003830 35O 1py -0.003135 -0.000611 0.008705 -0.021289 -0.017985 -0.005088 35O 2pz -0.001044 -0.015405 -0.000700 -0.001157 -0.028300 -0.025547 35O 2px 0.049700 -0.030716 -0.016170 0.072103 -0.018833 -0.005968 35O 2py 0.023708 -0.015975 -0.024899 0.027421 0.037054 0.001610 35O 3pz -0.010882 -0.025915 -0.014744 -0.158303 0.008665 0.067304 35O 3px 0.044406 -0.063832 -0.033805 -0.167575 -0.001479 0.010824 35O 3py 0.014258 -0.067355 -0.000691 -0.167943 -0.027661 0.034807 35O 1dz2 0.000892 -0.001010 -0.017990 -0.067095 0.032266 0.014565 35O 1dxz -0.002645 0.002029 0.003359 0.007891 -0.019884 -0.010412 35O 1dyz -0.006363 -0.004996 0.006510 -0.076347 -0.034486 -0.000781 35O 1dx2y2 0.003057 -0.002904 0.001600 0.032577 -0.017553 -0.002456 35O 1dxy 0.007155 -0.003707 -0.015791 0.008200 0.053109 0.020501 35O 2dz2 -0.009689 0.007234 0.006399 -0.005556 0.003350 0.004878 35O 2dxz -0.000173 -0.005401 -0.002696 -0.003094 -0.002438 -0.002482 35O 2dyz -0.001086 -0.002891 -0.004133 -0.036609 -0.003242 0.001462 35O 2dx2y2 0.012387 -0.009255 -0.005718 -0.016952 -0.002394 -0.004172 35O 2dxy 0.010885 -0.012925 -0.006444 -0.027240 -0.001230 -0.002011 35O 1f0 -0.001304 -0.011242 0.037060 -0.066037 0.021581 0.001210 35O 1f+1 0.006556 -0.016046 0.018259 -0.148291 0.162901 0.088269 35O 1f-1 -0.000386 -0.002520 0.006141 -0.144392 0.019004 -0.003584 35O 1f+2 0.005962 0.013566 0.069463 0.308650 0.020409 -0.015739 35O 1f-2 -0.021191 -0.012462 -0.001448 -0.203650 -0.155475 -0.020589 35O 1f+3 0.005907 0.010205 -0.023317 0.080200 0.066370 0.019968 35O 1f-3 -0.008781 0.010127 -0.006366 0.073306 -0.177245 -0.048596 648 649 650 651 652 653 5.49256 5.49882 5.52991 5.53382 5.56525 5.56696 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s -0.000012 -0.000012 -0.000019 -0.000066 0.000844 -0.001099 0Rh 2s 0.000232 0.000162 0.000444 0.000807 -0.010125 0.016732 0Rh 3s 0.000067 0.000026 0.000153 0.000082 -0.000915 0.003298 0Rh 4s -0.001336 -0.000950 -0.002523 -0.004770 0.059955 -0.097776 0Rh 5s 0.003662 0.002567 0.006844 0.012868 -0.161650 0.265789 0Rh 6s -0.005251 -0.003544 -0.009901 -0.017158 0.217694 -0.363327 0Rh 7s 0.008617 0.012904 0.019957 0.033435 -0.591376 0.947537 0Rh 8s 0.000556 -0.011239 0.025722 0.040390 0.197182 0.262546 0Rh 1pz -0.008900 -0.000794 -0.017700 0.045580 -0.008863 0.001335 0Rh 1px -0.004673 -0.000986 -0.013760 0.009901 0.030661 -0.006787 0Rh 1py 0.009947 -0.000645 0.047226 0.020679 0.006644 -0.002498 0Rh 2pz 0.036780 0.003276 0.073011 -0.188019 0.036578 -0.005534 0Rh 2px 0.019327 0.004069 0.056786 -0.040809 -0.126557 0.028114 0Rh 2py -0.041108 0.002646 -0.194816 -0.085293 -0.027423 0.010361 0Rh 3pz -0.115496 -0.010191 -0.226454 0.583288 -0.113742 0.017612 0Rh 3px -0.060986 -0.012693 -0.176702 0.125907 0.393649 -0.089114 0Rh 3py 0.129057 -0.007948 0.604559 0.264365 0.085266 -0.033143 0Rh 4pz 0.143874 0.012404 0.272922 -0.704383 0.138622 -0.022078 0Rh 4px 0.076818 0.015646 0.214906 -0.149775 -0.479318 0.111877 0Rh 4py -0.160405 0.008847 -0.730205 -0.318256 -0.103612 0.042582 0Rh 5pz -0.077101 -0.006147 -0.126615 0.332654 -0.071437 0.010555 0Rh 5px -0.042496 -0.008512 -0.103977 0.065208 0.242985 -0.057686 0Rh 5py 0.084208 -0.002555 0.343189 0.147130 0.051772 -0.023753 0Rh 6pz 0.078408 0.015624 0.090544 -0.273396 0.080608 0.099468 0Rh 6px 0.039296 0.013190 0.082291 -0.022704 -0.217627 -0.212559 0Rh 6py -0.064201 -0.012397 -0.230104 -0.080747 -0.049029 -0.039662 0Rh 1dz2 0.000315 0.003204 -0.000607 0.003238 -0.004588 0.008260 0Rh 1dxz 0.000566 0.001653 0.001729 -0.003177 -0.006302 0.012244 0Rh 1dyz -0.000608 -0.002132 0.000351 0.000770 -0.000631 0.001216 0Rh 1dx2y2 -0.000416 0.001949 0.001056 -0.001395 0.009876 -0.018558 0Rh 1dxy -0.000374 0.000204 -0.005594 -0.002357 0.004279 -0.007814 0Rh 2dz2 0.000227 0.000556 0.000471 -0.001513 0.002639 -0.004194 0Rh 2dxz -0.000374 0.000166 -0.000854 0.002021 0.003646 -0.006043 0Rh 2dyz -0.000145 -0.000056 -0.000521 -0.000139 0.000234 -0.000447 0Rh 2dx2y2 -0.000081 0.000537 -0.000833 0.000639 -0.005607 0.009038 0Rh 2dxy 0.000447 0.000116 0.002719 0.001280 -0.002330 0.003727 0Rh 3dz2 -0.002612 -0.018003 0.000715 -0.008556 0.009942 -0.020507 0Rh 3dxz -0.000952 -0.008732 -0.004368 0.005813 0.013584 -0.031300 0Rh 3dyz 0.003689 0.010515 0.000837 -0.003133 0.001976 -0.003834 0Rh 3dx2y2 0.002458 -0.011871 -0.001126 0.003774 -0.021739 0.047922 0Rh 3dxy -0.000331 -0.001527 0.014328 0.005379 -0.009936 0.020599 0Rh 4dz2 0.006539 0.037480 0.000725 0.010512 -0.008330 0.023195 0Rh 4dxz -0.000040 0.017784 0.005176 -0.002014 -0.011189 0.037203 0Rh 4dyz -0.008812 -0.020781 -0.004807 0.006084 -0.002974 0.006127 0Rh 4dx2y2 -0.006132 0.025409 -0.002115 -0.005077 0.018753 -0.057448 0Rh 4dxy 0.003085 0.003526 -0.016955 -0.005039 0.009862 -0.025636 0Rh 5dz2 -0.016148 -0.050933 -0.007279 0.008706 -0.040654 0.036635 0Rh 5dxz 0.010298 -0.022995 0.002700 -0.026599 -0.058626 0.047608 0Rh 5dyz 0.021063 0.025473 0.017009 -0.002147 0.000759 -0.005471 0Rh 5dx2y2 0.018813 -0.037252 0.016970 -0.000451 0.088321 -0.072454 0Rh 5dxy -0.016639 -0.005980 -0.011364 -0.008421 0.033681 -0.026697 0Rh 1f0 0.002371 0.001408 -0.004518 -0.001254 -0.001090 -0.000885 0Rh 1f+1 0.002601 -0.001000 0.000846 -0.003858 0.000617 0.000195 0Rh 1f-1 0.000397 -0.000546 -0.003225 -0.008861 -0.000041 -0.000053 0Rh 1f+2 0.000462 -0.000485 -0.004598 0.008135 0.001059 0.000163 0Rh 1f-2 -0.001150 0.000947 -0.006063 -0.001224 0.000140 0.000105 0Rh 1f+3 0.001594 0.001307 0.005280 -0.002368 0.001812 0.000840 0Rh 1f-3 -0.001771 0.000223 -0.003611 -0.000789 0.000737 0.000015 1Rh 1s 0.000014 -0.000011 0.000015 0.000063 0.000842 0.001095 1Rh 2s -0.000262 0.000159 -0.000413 -0.000785 -0.010117 -0.016702 1Rh 3s -0.000069 0.000027 -0.000155 -0.000083 -0.000918 -0.003306 1Rh 4s 0.001516 -0.000934 0.002334 0.004635 0.059907 0.097596 1Rh 5s -0.004139 0.002527 -0.006343 -0.012507 -0.161528 -0.265322 1Rh 6s 0.005849 -0.003502 0.009295 0.016710 0.217574 0.362820 1Rh 7s -0.009580 0.012822 -0.018790 -0.032827 -0.591100 -0.946656 1Rh 8s -0.000629 -0.010784 -0.026073 -0.039763 0.196746 -0.262681 1Rh 1pz -0.008835 0.000578 -0.017724 0.045619 0.008856 0.001460 1Rh 1px -0.004786 0.000949 -0.013764 0.009891 -0.030683 -0.006756 1Rh 1py 0.009862 0.000497 0.047247 0.020725 -0.006597 -0.002452 1Rh 2pz 0.036513 -0.002386 0.073113 -0.188181 -0.036550 -0.006053 1Rh 2px 0.019792 -0.003919 0.056802 -0.040768 0.126648 0.027984 1Rh 2py -0.040756 -0.002036 -0.194904 -0.085482 0.027230 0.010171 1Rh 3pz -0.114683 0.007439 -0.226768 0.583778 0.113661 0.019218 1Rh 3px -0.062420 0.012228 -0.176763 0.125788 -0.393933 -0.088705 1Rh 3py 0.127976 0.006072 0.604826 0.264945 -0.084672 -0.032578 1Rh 4pz 0.142929 -0.009087 0.273297 -0.704943 -0.138548 -0.024005 1Rh 4px 0.078529 -0.015086 0.215008 -0.149656 0.479663 0.111364 1Rh 4py -0.159125 -0.006613 -0.730510 -0.318931 0.102910 0.041987 1Rh 5pz -0.076708 0.004546 -0.126758 0.332879 0.071456 0.011449 1Rh 5px -0.043252 0.008243 -0.104063 0.065201 -0.243158 -0.057391 1Rh 5py 0.083606 0.001549 0.343267 0.147409 -0.051489 -0.023666 1Rh 6pz 0.077581 -0.013962 0.089080 -0.275895 -0.080961 0.098249 1Rh 6px 0.038745 -0.012960 0.081610 -0.023232 0.218081 -0.213203 1Rh 6py -0.062283 0.012655 -0.228867 -0.083434 0.049596 -0.038719 1Rh 1dz2 -0.000349 0.003238 0.000598 -0.003219 -0.004608 -0.008280 1Rh 1dxz -0.000580 0.001607 -0.001731 0.003184 -0.006303 -0.012257 1Rh 1dyz 0.000558 -0.002122 -0.000376 -0.000777 -0.000682 -0.001267 1Rh 1dx2y2 0.000415 0.001943 -0.001077 0.001398 0.009871 0.018554 1Rh 1dxy 0.000374 0.000171 0.005587 0.002337 0.004281 0.007791 1Rh 2dz2 -0.000213 0.000549 -0.000472 0.001514 0.002649 0.004204 1Rh 2dxz 0.000384 0.000183 0.000852 -0.002023 0.003646 0.006043 1Rh 2dyz 0.000166 -0.000055 0.000519 0.000130 0.000256 0.000471 1Rh 2dx2y2 0.000071 0.000541 0.000844 -0.000633 -0.005605 -0.009035 1Rh 2dxy -0.000447 0.000130 -0.002717 -0.001279 -0.002328 -0.003719 1Rh 3dz2 0.002709 -0.018132 -0.000665 0.008463 0.009995 0.020560 1Rh 3dxz 0.000974 -0.008585 0.004384 -0.005837 0.013588 0.031361 1Rh 3dyz -0.003538 0.010467 -0.000708 0.003212 0.002122 0.003969 1Rh 3dx2y2 -0.002404 -0.011864 0.001173 -0.003818 -0.021724 -0.047916 1Rh 3dxy 0.000329 -0.001432 -0.014301 -0.005283 -0.009953 -0.020528 1Rh 4dz2 -0.006669 0.037710 -0.000853 -0.010343 -0.008399 -0.023254 1Rh 4dxz 0.000051 0.017553 -0.005213 0.002051 -0.011197 -0.037340 1Rh 4dyz 0.008587 -0.020675 0.004509 -0.006302 -0.003176 -0.006301 1Rh 4dx2y2 0.005962 0.025411 0.002064 0.005194 0.018735 0.057452 1Rh 4dxy -0.003082 0.003391 0.016894 0.004838 0.009911 0.025527 1Rh 5dz2 0.016114 -0.051129 0.007633 -0.008723 -0.040725 -0.036784 1Rh 5dxz -0.010530 -0.022867 -0.002639 0.026634 -0.058620 -0.047341 1Rh 5dyz -0.020974 0.025320 -0.016428 0.002749 0.000627 0.005235 1Rh 5dx2y2 -0.018343 -0.037316 -0.017079 0.000174 0.088298 0.072381 1Rh 5dxy 0.016690 -0.005931 0.011509 0.008690 0.033503 0.026687 1Rh 1f0 0.002405 -0.001388 -0.004519 -0.001268 0.001083 -0.000904 1Rh 1f+1 0.002592 0.001038 0.000852 -0.003867 -0.000606 0.000195 1Rh 1f-1 0.000410 0.000618 -0.003249 -0.008906 0.000030 -0.000114 1Rh 1f+2 0.000493 0.000427 -0.004572 0.008165 -0.001060 0.000187 1Rh 1f-2 -0.001134 -0.000931 -0.006050 -0.001235 -0.000130 0.000108 1Rh 1f+3 0.001565 -0.001289 0.005260 -0.002384 -0.001810 0.000840 1Rh 1f-3 -0.001760 -0.000219 -0.003614 -0.000824 -0.000731 0.000006 2C 1s 0.000121 0.000337 0.002137 0.010775 -0.005722 -0.001527 2C 2s 0.000562 0.000805 0.003076 0.015416 -0.010695 -0.001726 2C 3s -0.008660 -0.007872 0.045510 0.249631 0.004895 -0.031928 2C 4s 0.024651 0.018893 -0.328715 -1.775630 0.364489 0.179223 2C 5s -0.123439 -0.007744 0.175666 1.207025 -0.578600 -0.007054 2C 1pz -0.002734 -0.003933 -0.006079 -0.033056 0.039753 0.009209 2C 1px -0.000731 -0.000164 -0.000713 -0.005630 0.004610 -0.023785 2C 1py 0.001145 0.000329 -0.006080 -0.023899 0.028356 -0.003136 2C 2pz 0.023484 0.027388 -0.178352 -0.916782 0.233245 -0.065832 2C 2px 0.007792 -0.000349 -0.057574 -0.270306 0.127467 0.214511 2C 2py -0.010783 -0.011851 -0.085888 -0.575708 0.115590 0.033409 2C 3pz -0.039414 -0.017381 0.032436 0.218948 -0.159174 0.018983 2C 3px -0.018654 -0.015589 0.013272 0.065524 -0.073573 -0.048437 2C 3py 0.012479 0.044928 0.015410 0.143172 -0.095796 -0.002209 2C 1dz2 0.043276 0.035397 -0.021647 -0.089487 0.039202 -0.022560 2C 1dxz 0.028850 0.021191 -0.008986 -0.038191 0.017821 0.036825 2C 1dyz -0.026382 -0.023617 -0.023798 -0.135632 0.058724 -0.000147 2C 1dx2y2 0.033911 0.028868 0.005241 0.044568 -0.021494 0.002115 2C 1dxy -0.006085 -0.003429 -0.005218 -0.025130 0.011333 0.029228 2C 2dz2 0.064222 0.049789 -0.044946 -0.194577 0.039123 -0.090065 2C 2dxz 0.056239 0.044569 -0.004940 -0.006131 -0.031781 0.137243 2C 2dyz -0.029471 -0.021916 -0.054156 -0.334847 0.091301 -0.024042 2C 2dx2y2 0.045828 0.029750 0.003159 0.052791 0.007260 0.000938 2C 2dxy -0.031686 -0.028993 -0.012567 -0.062338 0.028981 0.104514 2C 1f0 0.079052 0.061295 -0.015388 -0.044268 0.012522 -0.062028 2C 1f+1 0.021202 0.014002 -0.014850 -0.063285 0.029053 0.060798 2C 1f-1 0.005101 0.003738 -0.022780 -0.116264 0.025195 -0.018897 2C 1f+2 0.052323 0.042340 0.016318 0.106663 -0.034014 0.004628 2C 1f-2 0.024861 0.017235 -0.011908 -0.053503 0.012065 0.109261 2C 1f+3 0.006532 0.003626 0.003812 0.015161 -0.005446 0.012159 2C 1f-3 -0.028281 -0.021061 -0.005744 -0.039533 0.020827 -0.034429 3C 1s -0.001843 -0.000051 -0.010885 0.002188 -0.006320 -0.000540 3C 2s -0.002139 -0.000307 -0.015566 0.003184 -0.011895 -0.000377 3C 3s -0.044314 0.009128 -0.251725 0.046781 0.003382 -0.007851 3C 4s 0.284506 -0.040792 1.785333 -0.334690 0.412499 0.010762 3C 5s -0.652893 0.042848 -1.137051 0.226672 -0.674472 0.111220 3C 1pz 0.004292 -0.000576 0.022468 -0.006137 0.030076 0.007152 3C 1px 0.001596 -0.000358 0.010027 -0.002568 0.015623 -0.026643 3C 1py -0.006111 -0.001001 -0.032120 0.005781 -0.042185 -0.003592 3C 2pz 0.047641 -0.004581 0.439826 -0.057040 0.052743 -0.107386 3C 2px 0.052441 -0.004804 0.402798 -0.072363 0.131884 0.206830 3C 2py -0.111618 0.028576 -0.942675 0.185938 -0.300516 0.108902 3C 3pz -0.081645 -0.030666 -0.109579 0.016367 -0.071032 0.029058 3C 3px -0.054914 -0.005704 -0.089547 0.020460 -0.093217 -0.039217 3C 3py 0.134348 -0.021984 0.208528 -0.045943 0.194202 -0.033806 3C 1dz2 0.005073 0.024319 -0.022202 0.006544 -0.008987 -0.013113 3C 1dxz 0.012848 0.014167 0.049653 -0.006968 0.024451 0.017991 3C 1dyz -0.022492 -0.016449 -0.121135 0.022926 -0.060409 0.026115 3C 1dx2y2 -0.004669 0.022109 -0.083133 0.019133 -0.042666 0.028935 3C 1dxy -0.009706 0.003085 -0.076899 0.012747 -0.034623 -0.035936 3C 2dz2 -0.004018 0.012842 -0.068048 0.021566 -0.030666 -0.046080 3C 2dxz 0.013993 0.016863 0.076661 -0.003934 0.002070 0.080371 3C 2dyz -0.058411 -0.023529 -0.325308 0.061661 -0.128657 0.104087 3C 2dx2y2 0.002627 0.042830 -0.135091 0.027781 -0.005296 0.104234 3C 2dxy -0.011896 0.016595 -0.138276 0.019304 -0.008990 -0.130613 3C 1f0 0.000236 0.011726 -0.030328 0.005484 0.001392 0.008694 3C 1f+1 0.011821 0.014592 0.034069 -0.007184 0.021486 -0.028318 3C 1f-1 -0.016641 -0.046329 -0.005001 -0.002109 -0.009046 0.050959 3C 1f+2 -0.019103 0.005091 -0.099563 0.021888 -0.026331 0.049656 3C 1f-2 -0.027655 -0.014323 -0.113426 0.018335 -0.034940 -0.069637 3C 1f+3 0.016522 -0.004499 0.092259 -0.015511 0.030853 0.064104 3C 1f-3 -0.002622 0.018828 -0.054741 0.017183 -0.031422 0.094062 4C 1s 0.000453 0.000011 -0.000154 -0.000067 -0.005951 -0.000062 4C 2s 0.000880 0.000095 0.000620 0.005040 -0.012732 0.000024 4C 3s -0.007606 -0.007812 -0.084777 -0.511944 0.185668 0.007494 4C 4s -0.009597 0.023258 0.391001 2.361529 -0.536393 -0.009608 4C 5s 0.084719 0.012187 -0.128160 -0.789335 0.303787 0.034501 4C 1pz -0.006425 -0.003859 0.014947 0.063600 -0.004115 -0.019945 4C 1px -0.001747 -0.003306 0.005802 0.008776 0.006412 0.050027 4C 1py 0.004043 0.006394 0.002721 0.043397 -0.000920 0.007093 4C 2pz -0.072041 -0.057022 -0.155028 -0.883964 0.296221 0.048577 4C 2px -0.034405 -0.030988 -0.046739 -0.179831 0.057057 -0.014683 4C 2py 0.155046 0.131434 -0.132297 -0.580527 0.200422 0.023685 4C 3pz -0.021434 0.059290 0.057053 0.461107 -0.474188 0.077216 4C 3px 0.013855 0.035971 -0.008644 0.038923 -0.082025 -0.144169 4C 3py -0.077492 -0.043809 0.027371 0.294617 -0.323322 -0.007696 4C 1dz2 -0.071343 -0.063599 0.029932 0.042707 -0.010898 0.001870 4C 1dxz -0.028956 -0.027543 0.016285 0.028638 -0.022979 -0.007237 4C 1dyz 0.035540 0.035303 -0.000144 0.052776 0.020305 -0.003256 4C 1dx2y2 -0.045068 -0.044403 0.005168 -0.041747 0.037591 -0.001200 4C 1dxy -0.007478 -0.005483 0.001030 -0.000615 0.022993 -0.002293 4C 2dz2 0.004973 0.004625 0.017216 0.165873 -0.063219 -0.200526 4C 2dxz 0.000486 -0.011336 0.003595 0.074628 -0.041760 0.309252 4C 2dyz -0.008471 -0.009317 0.068328 0.339276 -0.081407 -0.020240 4C 2dx2y2 0.008881 0.016426 -0.017180 0.000438 0.051427 0.041481 4C 2dxy 0.008481 0.004329 0.017092 0.138124 -0.009915 0.243490 4C 1f0 -0.186045 -0.153026 0.005498 -0.089464 0.033410 0.047829 4C 1f+1 -0.094624 -0.076299 -0.022979 -0.170733 0.056629 -0.054503 4C 1f-1 -0.022923 -0.023747 -0.059837 -0.324235 0.172998 0.083976 4C 1f+2 -0.151846 -0.121570 0.063934 0.234264 -0.104632 0.042423 4C 1f-2 -0.038738 -0.034042 -0.017887 -0.119789 0.056405 -0.134291 4C 1f+3 0.023654 0.022622 -0.011350 -0.031728 0.020426 0.028788 4C 1f-3 0.070172 0.047120 -0.023550 -0.099510 0.031478 0.087060 5C 1s 0.002375 -0.000007 0.000623 -0.000120 -0.006667 0.000158 5C 2s 0.003846 0.000033 -0.003947 0.000797 -0.014354 0.000597 5C 3s 0.021728 0.000738 0.505332 -0.098000 0.225367 -0.022616 5C 4s -0.253355 0.007461 -2.353764 0.453697 -0.683077 0.111677 5C 5s 0.406203 -0.018100 0.753305 -0.160084 0.320776 -0.045613 5C 1pz -0.016129 -0.004902 -0.042451 -0.000278 -0.002559 -0.015444 5C 1px -0.007444 0.000407 -0.019747 0.010379 -0.000888 0.054699 5C 1py 0.022321 -0.003707 0.063607 -0.014092 0.000958 0.006804 5C 2pz 0.063047 -0.097705 0.487028 -0.080979 0.178862 -0.034498 5C 2px 0.047010 -0.029580 0.336878 -0.123513 0.129264 0.004091 5C 2py -0.177714 -0.030492 -0.888789 0.143298 -0.320623 0.047834 5C 3pz -0.182090 0.042110 -0.241368 0.057430 -0.343664 0.095289 5C 3px -0.112535 0.007442 -0.146997 0.009107 -0.195074 -0.140715 5C 3py 0.326331 0.030016 0.407566 -0.097230 0.560282 -0.085961 5C 1dz2 -0.013917 -0.044713 -0.010681 -0.016644 -0.029880 0.001051 5C 1dxz -0.014564 -0.019349 -0.034204 -0.001676 -0.022000 -0.001974 5C 1dyz 0.021921 0.023399 0.047447 0.001356 -0.030342 0.002223 5C 1dx2y2 0.005962 -0.032312 0.050102 -0.022424 0.031205 -0.001189 5C 1dxy 0.011807 -0.001829 0.037119 -0.007864 0.004317 0.005408 5C 2dz2 0.017416 0.005096 0.118982 -0.002696 0.011673 -0.134708 5C 2dxz -0.000575 0.007067 -0.042004 0.009363 -0.044992 0.180851 5C 2dyz 0.037347 -0.003199 0.330188 -0.074772 0.078747 0.147779 5C 2dx2y2 0.009091 -0.017546 0.132413 -0.012669 0.067677 0.217247 5C 2dxy 0.015590 -0.008896 0.150362 -0.015784 0.063612 -0.365022 5C 1f0 -0.020288 -0.009321 -0.149479 0.025826 -0.100091 -0.049993 5C 1f+1 -0.003926 -0.040227 0.069763 -0.014780 0.019779 0.075933 5C 1f-1 0.039588 0.127569 -0.021704 0.019948 -0.016091 -0.074005 5C 1f+2 -0.029047 -0.010110 -0.227211 0.039795 -0.131962 -0.033399 5C 1f-2 -0.009495 0.051975 -0.228107 0.060823 -0.127518 0.156301 5C 1f+3 0.041166 0.023721 0.245416 -0.045227 0.122090 -0.021232 5C 1f-3 -0.044996 -0.054743 -0.177659 0.023611 -0.066464 -0.079393 6C 1s -0.002369 -0.000011 -0.000614 0.000119 -0.006670 -0.000133 6C 2s -0.003825 0.000024 0.003969 -0.000797 -0.014356 -0.000551 6C 3s -0.022509 0.001035 -0.506026 0.097830 0.225110 0.021999 6C 4s 0.256467 0.006180 2.356498 -0.452906 -0.681926 -0.110494 6C 5s -0.405989 -0.018393 -0.753222 0.158592 0.320446 0.045772 6C 1pz -0.016232 0.004969 -0.042451 -0.000285 0.002518 -0.015480 6C 1px -0.007355 -0.000446 -0.019752 0.010370 0.000847 0.054821 6C 1py 0.022444 0.003696 0.063644 -0.014016 -0.000953 0.006800 6C 2pz 0.064241 0.097331 0.487161 -0.080231 -0.178313 -0.033711 6C 2px 0.047985 0.030022 0.338536 -0.124086 -0.129787 0.002561 6C 2py -0.179543 0.031645 -0.888912 0.142345 0.319832 0.046983 6C 3pz -0.180490 -0.042338 -0.242039 0.057159 0.343519 0.094695 6C 3px -0.112369 -0.007317 -0.147438 0.009315 0.194919 -0.142461 6C 3py 0.324045 -0.029903 0.408891 -0.096846 -0.560536 -0.084143 6C 1dz2 0.013871 -0.044940 0.010667 0.016625 -0.029869 -0.001001 6C 1dxz 0.014477 -0.019422 0.034209 0.001632 -0.021997 0.002043 6C 1dyz -0.021929 0.023552 -0.047400 -0.001360 -0.030403 -0.002161 6C 1dx2y2 -0.005906 -0.032460 -0.050162 0.022345 0.031080 0.001164 6C 1dxy -0.011765 -0.001753 -0.037158 0.007765 0.004299 -0.005437 6C 2dz2 -0.017222 0.005291 -0.119035 0.002310 0.011448 0.134697 6C 2dxz 0.000707 0.006787 0.041835 -0.009048 -0.044746 -0.180381 6C 2dyz -0.038433 -0.003043 -0.330640 0.074853 0.078783 -0.147701 6C 2dx2y2 -0.010208 -0.017236 -0.132586 0.012550 0.067981 -0.217062 6C 2dxy -0.015591 -0.008500 -0.150266 0.015330 0.062981 0.364393 6C 1f0 -0.020447 0.009379 -0.149588 0.025696 0.100016 -0.050363 6C 1f+1 -0.003821 0.040349 0.069798 -0.014662 -0.019712 0.076005 6C 1f-1 0.039355 -0.127998 -0.021872 0.019729 0.016120 -0.074120 6C 1f+2 -0.029248 0.010214 -0.227340 0.039828 0.131730 -0.033594 6C 1f-2 -0.009370 -0.052201 -0.228544 0.060694 0.127241 0.156070 6C 1f+3 0.041164 -0.023871 0.245544 -0.045183 -0.121867 -0.021004 6C 1f-3 -0.045105 0.055003 -0.177777 0.023610 0.066393 -0.079590 7C 1s -0.000462 -0.000011 0.000158 0.000073 -0.005960 0.000043 7C 2s -0.000884 0.000066 -0.000615 -0.005028 -0.012751 -0.000071 7C 3s 0.006832 -0.008552 0.085361 0.511924 0.186126 -0.006470 7C 4s 0.012487 0.028725 -0.393975 -2.361805 -0.538171 0.005356 7C 5s -0.084119 0.009694 0.128457 0.789136 0.304070 -0.034065 7C 1pz -0.006577 0.003658 0.014998 0.063580 0.004190 -0.020066 7C 1px -0.001755 0.003252 0.005819 0.008812 -0.006408 0.050307 7C 1py 0.003971 -0.006514 0.002787 0.043511 0.000903 0.007095 7C 2pz -0.072076 0.060528 -0.154964 -0.882210 -0.296402 0.048662 7C 2px -0.034794 0.031757 -0.046651 -0.179025 -0.057129 -0.016730 7C 2py 0.155303 -0.128767 -0.133256 -0.584418 -0.201951 0.023242 7C 3pz -0.022310 -0.059862 0.057812 0.460116 0.473744 0.080152 7C 3px 0.013611 -0.035478 -0.008904 0.036018 0.080901 -0.144732 7C 3py -0.078373 0.043245 0.028009 0.295382 0.324081 -0.005829 7C 1dz2 0.071651 -0.063375 -0.029959 -0.042624 -0.010908 -0.001803 7C 1dxz 0.028933 -0.027310 -0.016243 -0.028510 -0.022912 0.007118 7C 1dyz -0.035280 0.035288 0.000037 -0.052743 0.020332 0.003322 7C 1dx2y2 0.045186 -0.044536 -0.005244 0.041671 0.037576 0.001219 7C 1dxy 0.007742 -0.005614 -0.001092 0.000595 0.022989 0.002448 7C 2dz2 -0.005377 0.005471 -0.016922 -0.164116 -0.062931 0.199997 7C 2dxz -0.000716 -0.010613 -0.003345 -0.074709 -0.042261 -0.308590 7C 2dyz 0.008780 -0.008290 -0.068830 -0.340415 -0.081795 0.020421 7C 2dx2y2 -0.008091 0.015747 0.017105 0.000688 0.051770 -0.041448 7C 2dxy -0.008274 0.004611 -0.017495 -0.138616 -0.010215 -0.244673 7C 1f0 -0.186279 0.152880 0.005848 -0.087146 -0.032473 0.047300 7C 1f+1 -0.094279 0.076375 -0.022886 -0.169547 -0.056297 -0.054572 7C 1f-1 -0.024499 0.026125 -0.059529 -0.323779 -0.173012 0.083917 7C 1f+2 -0.151885 0.120276 0.064385 0.235995 0.105626 0.043036 7C 1f-2 -0.039332 0.034789 -0.017777 -0.119432 -0.056391 -0.135246 7C 1f+3 0.023408 -0.022229 -0.011360 -0.031967 -0.020489 0.028479 7C 1f-3 0.070849 -0.047079 -0.023901 -0.100214 -0.031723 0.087005 8C 1s 0.001845 -0.000051 0.010895 -0.002182 -0.006312 0.000577 8C 2s 0.002134 -0.000301 0.015579 -0.003179 -0.011881 0.000428 8C 3s 0.045023 0.008804 0.251988 -0.046459 0.003488 0.008332 8C 4s -0.288337 -0.039201 -1.786980 0.332930 0.411495 -0.013968 8C 5s 0.651236 0.042153 1.138913 -0.224891 -0.674185 -0.109199 8C 1pz 0.004236 0.000613 0.022447 -0.006142 -0.030001 0.007224 8C 1px 0.001514 0.000369 0.009998 -0.002552 -0.015507 -0.026599 8C 1py -0.006032 0.000988 -0.032201 0.005785 0.042214 -0.003683 8C 2pz 0.048935 0.003849 0.441108 -0.056742 -0.053539 -0.107779 8C 2px 0.053849 0.004508 0.405081 -0.072598 -0.133711 0.206588 8C 2py -0.113382 -0.027823 -0.942079 0.185229 0.298448 0.109112 8C 3pz -0.081385 0.030724 -0.109910 0.016284 0.071306 0.028752 8C 3px -0.054669 0.005635 -0.090026 0.020310 0.094131 -0.039237 8C 3py 0.133782 0.022077 0.208681 -0.045767 -0.193644 -0.033477 8C 1dz2 -0.005006 0.024372 0.022304 -0.006529 -0.009015 0.013098 8C 1dxz -0.012949 0.014312 -0.049686 0.006997 0.024405 -0.017990 8C 1dyz 0.022503 -0.016521 0.121116 -0.022898 -0.060217 -0.026086 8C 1dx2y2 0.004734 0.022138 0.083309 -0.019084 -0.042682 -0.028906 8C 1dxy 0.009792 0.003092 0.076981 -0.012702 -0.034567 0.035941 8C 2dz2 0.004302 0.012959 0.068347 -0.021711 -0.030746 0.045826 8C 2dxz -0.014441 0.017598 -0.076264 0.003927 0.001855 -0.080053 8C 2dyz 0.058601 -0.023611 0.325211 -0.061438 -0.128004 -0.104502 8C 2dx2y2 -0.002033 0.042503 0.136166 -0.027779 -0.005980 -0.104382 8C 2dxy 0.012413 0.016615 0.137919 -0.019126 -0.008697 0.130490 8C 1f0 0.000177 -0.011706 -0.030309 0.005406 -0.001378 0.008602 8C 1f+1 0.011508 -0.014482 0.033403 -0.006988 -0.021214 -0.028495 8C 1f-1 -0.016527 0.046535 -0.004919 -0.002020 0.008900 0.051216 8C 1f+2 -0.019143 -0.004929 -0.099544 0.021733 0.026240 0.049290 8C 1f-2 -0.027887 0.014330 -0.113872 0.018305 0.034911 -0.070147 8C 1f+3 0.016677 0.004390 0.092076 -0.015476 -0.030734 0.063818 8C 1f-3 -0.002497 -0.019012 -0.055016 0.017185 0.031381 0.094118 9C 1s -0.000098 0.000358 -0.002132 -0.010764 -0.005729 0.001540 9C 2s -0.000515 0.000813 -0.003066 -0.015392 -0.010706 0.001728 9C 3s 0.008761 -0.006712 -0.045783 -0.249994 0.004658 0.032358 9C 4s -0.026406 0.012805 0.329991 1.776760 0.366151 -0.180641 9C 5s 0.123867 -0.003314 -0.177639 -1.207528 -0.579144 0.003799 9C 1pz -0.002644 0.003945 -0.006037 -0.032987 -0.039791 0.009124 9C 1px -0.000725 0.000202 -0.000698 -0.005618 -0.004600 -0.023833 9C 1py 0.001214 -0.000326 -0.006048 -0.023779 -0.028317 -0.003191 9C 2pz 0.023851 -0.024136 -0.178503 -0.913049 -0.231285 -0.067304 9C 2px 0.007864 0.000979 -0.057699 -0.269119 -0.127034 0.214298 9C 2py -0.010502 0.014036 -0.087782 -0.583107 -0.120717 0.032877 9C 3pz -0.039735 0.017138 0.032630 0.218100 0.157976 0.019897 9C 3px -0.018467 0.015346 0.013250 0.065552 0.073578 -0.048340 9C 3py 0.012212 -0.045010 0.015873 0.144272 0.097789 -0.001951 9C 1dz2 -0.043557 0.035178 0.021622 0.089064 0.039133 0.022699 9C 1dxz -0.028879 0.020983 0.008927 0.037873 0.017731 -0.036816 9C 1dyz 0.025705 -0.023533 0.023920 0.135845 0.058891 0.000447 9C 1dx2y2 -0.034312 0.029163 -0.005317 -0.044891 -0.021688 -0.002129 9C 1dxy 0.005917 -0.003387 0.005189 0.024874 0.011137 -0.029298 9C 2dz2 -0.064150 0.048660 0.045255 0.194666 0.039950 0.090238 9C 2dxz -0.055990 0.044043 0.004846 0.005343 -0.031634 -0.137741 9C 2dyz 0.028129 -0.021989 0.054600 0.335233 0.091178 0.025184 9C 2dx2y2 -0.047714 0.031487 -0.003301 -0.053313 0.007215 -0.000816 9C 2dxy 0.031346 -0.028763 0.012437 0.060882 0.027737 -0.104288 9C 1f0 0.079586 -0.061255 -0.015363 -0.043949 -0.012759 -0.061530 9C 1f+1 0.021188 -0.013661 -0.014765 -0.062886 -0.028825 0.060196 9C 1f-1 0.005665 -0.003626 -0.022835 -0.116067 -0.025249 -0.019475 9C 1f+2 0.051760 -0.042235 0.016599 0.107808 0.034215 0.003668 9C 1f-2 0.025136 -0.017115 -0.011826 -0.052945 -0.012007 0.110145 9C 1f+3 0.006868 -0.003937 0.003675 0.014920 0.005412 0.013192 9C 1f-3 -0.028036 0.020913 -0.005620 -0.038843 -0.020635 -0.035260 10H 1s 0.002194 0.003035 0.012455 0.063307 -0.029221 0.005991 10H 2s 0.019344 0.020854 0.022848 0.107514 -0.063925 -0.039913 10H 3s 0.012553 0.006891 -0.021712 -0.127088 0.047604 0.052424 10H 1pz 0.002055 0.002067 0.005302 0.023728 -0.009215 -0.014594 10H 1px -0.005510 -0.006094 -0.009876 -0.048794 0.023118 0.005457 10H 1py 0.005460 0.005364 0.002010 0.011443 -0.005924 -0.012442 11H 1s -0.034335 -0.025120 0.001962 0.006123 0.009538 -0.021022 11H 2s -0.042847 -0.037210 -0.013798 -0.065037 0.070111 -0.040260 11H 3s -0.001023 -0.008466 -0.007341 -0.076285 -0.036553 -0.013646 11H 1pz -0.014181 -0.009630 0.000618 0.013893 0.004281 -0.013746 11H 1px -0.018712 -0.014848 -0.001774 -0.012286 0.020752 -0.012571 11H 1py 0.016866 0.012287 0.001038 0.012146 -0.011576 0.010193 12H 1s 0.022426 0.015992 0.004937 0.026491 -0.006608 -0.030986 12H 2s 0.047808 0.037286 0.005277 0.001552 0.000961 -0.050879 12H 3s 0.017402 0.018299 -0.018334 -0.097546 -0.002297 -0.020052 12H 1pz -0.010149 -0.007804 0.002065 0.005061 -0.003544 0.010181 12H 1px 0.008864 0.006146 -0.000697 -0.005498 0.009700 -0.015117 12H 1py 0.020705 0.015891 0.006346 0.025327 -0.008458 -0.021692 13H 1s -0.016793 -0.000475 -0.059634 0.014714 -0.032284 0.013468 13H 2s -0.023049 -0.017794 -0.103869 0.032339 -0.072692 -0.025950 13H 3s 0.050811 -0.009833 0.120594 -0.026479 0.050699 0.039074 13H 1pz -0.011488 -0.005905 -0.040645 0.010743 -0.022938 -0.010892 13H 1px 0.009152 0.002032 0.034580 -0.009000 0.017809 -0.005595 13H 1py 0.003128 0.000515 0.012082 -0.004482 0.004240 0.008126 14H 1s -0.014703 -0.007699 -0.036004 0.005705 -0.010954 -0.026463 14H 2s -0.014467 -0.031125 -0.036455 0.011186 -0.023430 -0.036816 14H 3s 0.046271 -0.015566 0.097578 -0.020906 0.014279 -0.039675 14H 1pz -0.010064 -0.007084 -0.029715 0.007924 -0.017971 -0.002264 14H 1px -0.009642 -0.010304 -0.019601 0.003799 -0.001970 -0.021046 14H 1py -0.002416 -0.003011 -0.000598 -0.001056 -0.000022 -0.008474 15H 1s 0.005020 0.019046 -0.001196 -0.002063 0.016827 -0.016480 15H 2s 0.022960 0.027351 0.077424 -0.020511 0.102234 -0.038796 15H 3s 0.042985 0.003508 0.068484 -0.006621 -0.045475 -0.018824 15H 1pz -0.007013 -0.010984 -0.022193 0.004417 -0.027777 0.011905 15H 1px 0.001337 0.003161 0.003889 -0.001534 0.010602 0.000095 15H 1py 0.000657 -0.010291 0.006926 0.001117 -0.016738 0.014323 16H 1s -0.005677 -0.001500 -0.001891 -0.003881 -0.011249 -0.000842 16H 2s -0.011523 0.000425 0.015770 0.037312 0.009692 0.011140 16H 3s 0.006384 0.001878 0.001818 -0.022403 -0.004091 -0.031655 16H 1pz 0.001852 0.000034 0.007798 -0.005221 -0.000909 0.004265 16H 1px -0.001119 0.002707 0.000481 0.032035 0.006236 -0.005092 16H 1py -0.022653 -0.002043 -0.010085 0.018641 -0.004422 0.001303 17H 1s 0.000894 -0.000384 -0.003536 -0.000059 -0.012185 -0.002100 17H 2s 0.052008 0.010445 0.039722 0.000930 0.016029 0.009731 17H 3s -0.009285 0.003957 -0.015291 0.003498 -0.001121 -0.030491 17H 1pz -0.008472 -0.000949 -0.014511 -0.000307 -0.001022 -0.000979 17H 1px 0.005965 0.001296 0.020850 -0.021229 0.001776 -0.003638 17H 1py 0.025222 0.005466 0.012960 -0.016863 -0.001554 0.000710 18H 1s -0.000943 -0.000362 0.003425 0.000058 -0.012164 0.002180 18H 2s -0.051346 0.010219 -0.039103 -0.000889 0.016510 -0.009209 18H 3s 0.009291 0.004383 0.015002 -0.003819 -0.001130 0.030403 18H 1pz -0.008984 0.000919 -0.014562 0.000156 0.001042 -0.001051 18H 1px 0.005893 -0.001191 0.020498 -0.021912 -0.001650 -0.003455 18H 1py 0.024861 -0.005464 0.012462 -0.017273 0.001402 0.000458 19H 1s 0.005569 -0.001452 0.001891 0.003971 -0.011269 0.000694 19H 2s 0.011249 0.000304 -0.015880 -0.037618 0.009489 -0.011159 19H 3s -0.006102 0.001249 -0.001413 0.022380 -0.003960 0.031808 19H 1pz 0.002289 -0.000057 0.007635 -0.005520 0.000782 0.004181 19H 1px -0.000619 -0.002919 0.001419 0.031967 -0.006407 -0.005194 19H 1py -0.022241 0.002080 -0.009493 0.019010 0.004570 0.001642 20H 1s -0.004820 0.018962 0.001579 0.002084 0.016553 0.016932 20H 2s -0.022657 0.027368 -0.076348 0.020596 0.100873 0.039668 20H 3s -0.043069 0.003728 -0.068942 0.006366 -0.044984 0.019028 20H 1pz -0.006915 0.011016 -0.021837 0.004413 0.027449 0.012253 20H 1px 0.001390 -0.003259 0.004130 -0.001627 -0.010934 -0.000196 20H 1py 0.000802 0.010231 0.007329 0.001165 0.016241 0.014605 21H 1s 0.014698 -0.007890 0.035524 -0.005585 -0.010518 0.026644 21H 2s 0.014264 -0.031208 0.034931 -0.010909 -0.021901 0.037899 21H 3s -0.046208 -0.015458 -0.097250 0.020675 0.013314 0.039282 21H 1pz -0.010108 0.007146 -0.029666 0.007895 0.017753 -0.002780 21H 1px -0.009578 0.010375 -0.018970 0.003661 0.001404 -0.021311 21H 1py -0.002371 0.003077 -0.000334 -0.001092 -0.000170 -0.008494 22H 1s 0.016746 -0.000402 0.059916 -0.014672 -0.032395 -0.013179 22H 2s 0.023006 -0.017349 0.104498 -0.032309 -0.072970 0.027052 22H 3s -0.050867 -0.009643 -0.120911 0.026169 0.051071 -0.039424 22H 1pz -0.011389 0.005804 -0.040394 0.010614 0.022742 -0.011157 22H 1px 0.009177 -0.001946 0.035058 -0.009039 -0.018080 -0.005241 22H 1py 0.003244 -0.000490 0.012428 -0.004531 -0.004454 0.008418 23H 1s -0.022880 0.016414 -0.004737 -0.025547 -0.005865 0.031030 23H 2s -0.047771 0.037085 -0.004468 0.001743 0.003654 0.051595 23H 3s -0.017582 0.017807 0.018381 0.096882 -0.003631 0.020065 23H 1pz -0.010381 0.007937 0.002218 0.005637 0.003963 0.010151 23H 1px 0.008700 -0.006027 -0.000872 -0.006153 -0.010137 -0.014739 23H 1py 0.020881 -0.016027 0.006116 0.024289 0.007536 -0.022244 24H 1s 0.034157 -0.024687 -0.002097 -0.006879 0.008971 0.021735 24H 2s 0.043260 -0.037357 0.013645 0.062582 0.067333 0.041769 24H 3s 0.000925 -0.008952 0.007776 0.077267 -0.035159 0.014127 24H 1pz -0.014149 0.009451 0.000667 0.014546 -0.003459 -0.013910 24H 1px -0.019048 0.014995 -0.001751 -0.011941 -0.020472 -0.013462 24H 1py 0.016669 -0.012073 0.000897 0.011296 0.010739 0.010314 25H 1s -0.001869 0.003090 -0.012537 -0.063677 -0.029425 -0.005878 25H 2s -0.017899 0.019815 -0.022850 -0.107936 -0.064098 0.040547 25H 3s -0.012274 0.006025 0.021835 0.127339 0.047888 -0.052564 25H 1pz 0.001702 -0.001867 0.005380 0.024240 0.009492 -0.014934 25H 1px -0.005133 0.005957 -0.009892 -0.048923 -0.023204 0.005704 25H 1py 0.005279 -0.005179 0.001817 0.010548 0.005381 -0.012229 26O 1s -0.000211 0.000060 0.001557 0.008387 -0.006105 -0.003608 26O 2s -0.000758 0.000147 0.004796 0.025811 -0.019545 -0.011069 26O 3s 0.008847 0.001147 -0.033344 -0.178092 0.174585 0.093729 26O 4s -0.025866 -0.010964 0.026377 0.143544 -0.330214 -0.204757 26O 5s 0.012319 -0.028125 -0.042864 -0.507830 0.423190 -0.147610 26O 1pz -0.016499 -0.013138 -0.003583 -0.020051 0.005198 0.022065 26O 1px -0.011221 -0.006822 0.011763 0.058568 -0.058007 -0.047353 26O 1py 0.027933 0.021080 0.003071 0.008550 -0.018878 -0.004039 26O 2pz 0.042864 0.038282 0.013873 0.084379 -0.030734 -0.046175 26O 2px 0.032998 0.027856 0.005477 0.074042 0.090184 0.139837 26O 2py -0.067449 -0.049785 0.007724 0.081181 0.016694 0.024581 26O 3pz -0.013792 -0.021108 -0.038151 -0.123591 0.179086 -0.180335 26O 3px -0.012373 -0.003989 -0.013460 0.105306 -0.052544 -0.041371 26O 3py 0.048073 0.036991 0.018948 -0.055524 0.093696 -0.127840 26O 1dz2 0.048701 0.027720 -0.000095 -0.008683 0.022924 0.025869 26O 1dxz -0.036862 -0.038862 0.004264 -0.034561 0.036171 0.007244 26O 1dyz -0.051491 -0.036594 0.015644 0.055831 -0.011321 0.016977 26O 1dx2y2 -0.039094 -0.042477 0.026806 0.069352 -0.063992 -0.026783 26O 1dxy 0.089246 0.077136 -0.002812 0.057802 -0.031295 -0.013811 26O 2dz2 0.003660 0.003652 0.005690 0.053507 -0.005512 0.001023 26O 2dxz -0.006352 -0.006803 -0.003732 -0.013654 0.002604 -0.005477 26O 2dyz -0.004991 -0.004038 0.003598 0.013201 -0.003079 0.009849 26O 2dx2y2 -0.004110 -0.006113 -0.009055 -0.051849 0.003786 0.010031 26O 2dxy 0.004594 0.003224 -0.007210 -0.048477 0.002343 0.007823 26O 1f0 -0.041580 -0.056192 0.026032 -0.038625 0.039836 -0.047189 26O 1f+1 -0.267275 -0.226506 0.003108 -0.187146 0.077457 -0.068542 26O 1f-1 -0.044398 -0.028655 -0.009313 -0.048234 0.056314 -0.150607 26O 1f+2 -0.022463 -0.025988 0.068752 0.288213 -0.214225 0.222039 26O 1f-2 0.247097 0.197403 -0.081052 -0.259084 0.161464 -0.146949 26O 1f+3 -0.103860 -0.099649 0.045066 0.093266 -0.091679 0.052399 26O 1f-3 0.296139 0.249836 -0.026992 0.119625 -0.096752 0.058231 27O 1s -0.001198 0.000126 -0.008478 0.001607 -0.006704 -0.003509 27O 2s -0.003956 0.000445 -0.025994 0.005018 -0.021364 -0.010905 27O 3s 0.031021 -0.005193 0.177790 -0.036786 0.188572 0.096946 27O 4s -0.049984 0.016191 -0.146960 0.042999 -0.350685 -0.230931 27O 5s 0.147760 0.014621 0.474579 -0.071231 0.504453 -0.179000 27O 1pz -0.002354 -0.014328 0.018724 -0.001413 0.011103 0.019407 27O 1px -0.007020 -0.000285 -0.061466 0.011833 -0.063785 -0.047265 27O 1py -0.005522 -0.009798 -0.013715 0.003929 0.000274 -0.016142 27O 2pz 0.004688 0.039131 -0.039302 0.003606 -0.033186 -0.044721 27O 2px -0.010731 -0.003880 -0.076264 0.006544 0.083516 0.164512 27O 2py 0.024756 0.027615 0.091357 -0.021916 0.030798 0.024139 27O 3pz 0.029020 -0.024252 0.079500 0.014595 0.139305 -0.125418 27O 3px 0.001084 -0.001875 -0.092371 -0.014525 -0.035643 -0.077450 27O 3py -0.060652 -0.016025 -0.073764 0.057685 -0.191245 0.198886 27O 1dz2 0.018482 0.029719 0.064834 -0.011984 0.043768 0.006277 27O 1dxz -0.014831 -0.056974 0.021744 -0.019464 0.040709 0.008032 27O 1dyz 0.012082 0.004202 0.066872 -0.008885 0.028213 -0.019859 27O 1dx2y2 -0.001368 -0.006411 -0.060038 0.005265 -0.062269 -0.035670 27O 1dxy -0.012547 -0.042777 0.004281 -0.008664 -0.017101 -0.003516 27O 2dz2 -0.003589 0.002061 -0.038774 0.007750 -0.005584 -0.004929 27O 2dxz -0.002549 -0.006054 -0.009759 0.001707 0.000186 -0.006078 27O 2dyz 0.002209 -0.000066 0.018744 -0.005484 0.006351 -0.014035 27O 2dx2y2 0.009089 0.000496 0.074195 -0.008874 0.009491 -0.000778 27O 2dxy -0.004123 -0.003322 -0.027877 0.006451 -0.007902 0.001883 27O 1f0 0.007116 -0.035910 0.067161 -0.028098 0.048673 0.020796 27O 1f+1 -0.068639 -0.208822 -0.113202 -0.019287 -0.101741 0.083702 27O 1f-1 0.001545 -0.024683 0.080118 0.001065 0.048229 -0.023261 27O 1f+2 0.050606 0.114479 -0.076289 0.048708 -0.143132 0.196107 27O 1f-2 -0.029523 0.042103 -0.375630 0.092255 -0.308425 0.296154 27O 1f+3 0.053711 0.069755 0.094738 -0.013155 0.029707 -0.083247 27O 1f-3 -0.046157 -0.136185 -0.048102 -0.024492 -0.048953 0.075433 28O 1s -0.000106 0.000059 0.001599 0.008629 -0.006049 0.003141 28O 2s -0.000354 0.000177 0.004917 0.026528 -0.019323 0.009604 28O 3s 0.003964 0.000010 -0.033592 -0.185304 0.172143 -0.081651 28O 4s -0.016907 -0.010130 0.024969 0.181054 -0.328030 0.184056 28O 5s 0.044994 -0.015520 -0.073797 -0.535150 0.421154 0.091993 28O 1pz -0.015848 -0.012171 0.003903 0.018078 -0.027029 0.007363 28O 1px -0.011807 -0.007915 -0.012410 -0.060867 0.051091 -0.044676 28O 1py 0.028379 0.020289 -0.001547 -0.013554 0.003930 -0.014169 28O 2pz 0.035772 0.035675 0.018367 0.105988 0.018695 -0.036883 28O 2px 0.027349 0.013324 -0.001293 -0.018783 -0.087643 0.128806 28O 2py -0.067644 -0.049352 0.008279 0.062569 -0.025418 0.028310 28O 3pz -0.013550 -0.021861 -0.008968 0.001766 0.133399 0.210017 28O 3px -0.008703 -0.016247 -0.031850 -0.123665 0.105371 0.003594 28O 3py 0.046977 0.024944 0.028051 -0.066360 0.124225 0.125613 28O 1dz2 -0.016127 -0.026898 0.012087 -0.006145 0.019785 -0.014495 28O 1dxz 0.051439 0.038791 -0.014385 -0.047410 0.037324 -0.027856 28O 1dyz 0.030974 0.036379 0.002195 0.056975 -0.012581 -0.022041 28O 1dx2y2 0.067135 0.047328 0.009965 0.073433 -0.060417 0.016535 28O 1dxy -0.088530 -0.074862 0.023825 0.042588 -0.031765 -0.006641 28O 2dz2 0.003188 0.001084 -0.002412 -0.001810 0.001021 -0.003412 28O 2dxz 0.001413 0.003946 0.012962 0.075207 -0.007814 0.005435 28O 2dyz 0.001633 0.002805 0.003226 0.004325 -0.001039 -0.010046 28O 2dx2y2 0.003514 0.001184 -0.009226 -0.041820 0.001727 -0.009252 28O 2dxy -0.004357 -0.004145 0.003187 0.018811 -0.005725 -0.009563 28O 1f0 -0.180025 -0.166754 0.022668 -0.082209 0.023080 0.033189 28O 1f+1 -0.106508 -0.108152 0.023995 -0.062701 0.052533 0.070688 28O 1f-1 0.067670 0.039487 -0.055442 -0.266788 0.219829 0.283108 28O 1f+2 0.061308 0.036287 0.012221 0.011102 0.013121 -0.040186 28O 1f-2 0.132959 0.117671 0.005861 0.144719 -0.060078 -0.015337 28O 1f+3 -0.307894 -0.248594 0.011873 -0.119253 0.119893 0.122314 28O 1f-3 0.233662 0.198027 -0.098550 -0.256236 0.190503 0.158866 29O 1s 0.000048 0.000114 -0.000016 0.000166 -0.000838 -0.000209 29O 2s 0.000111 0.000333 -0.000061 0.000499 -0.002422 -0.000754 29O 3s 0.000254 -0.002789 0.001165 -0.004537 0.022352 0.009067 29O 4s 0.000228 0.006120 0.002431 0.016534 -0.063103 -0.018462 29O 5s -0.029102 -0.015341 -0.043281 -0.056715 0.125604 -0.005619 29O 1pz 0.003019 0.000259 -0.001443 0.001810 0.003362 -0.001182 29O 1px 0.002235 0.000424 0.002022 0.002291 -0.008453 0.000073 29O 1py 0.000480 0.000922 0.002967 0.000502 0.001454 -0.004090 29O 2pz -0.019176 -0.002551 0.005937 -0.007295 -0.008669 0.005036 29O 2px -0.013349 -0.002380 -0.007770 -0.010124 0.018441 -0.001253 29O 2py 0.002366 -0.001671 -0.007629 -0.000108 -0.004373 0.014804 29O 3pz -0.028125 -0.005226 -0.019961 0.047988 0.019534 -0.012986 29O 3px -0.014656 -0.005240 -0.015442 0.027970 -0.068163 0.023731 29O 3py 0.024635 0.007477 0.052512 0.022426 0.000762 -0.015310 29O 1dz2 0.005854 0.002081 0.006838 -0.003098 0.015371 -0.002141 29O 1dxz -0.005443 0.000106 -0.002847 0.010982 0.021148 -0.004615 29O 1dyz -0.004098 -0.001385 -0.002543 0.009014 -0.000049 -0.000575 29O 1dx2y2 -0.004047 0.000567 -0.003725 0.003721 -0.020036 0.006669 29O 1dxy -0.003834 -0.000225 -0.007934 -0.001418 -0.004719 0.000187 29O 2dz2 0.006598 0.000407 0.002515 -0.001981 -0.000250 -0.000967 29O 2dxz -0.007700 -0.001080 -0.001175 0.005294 -0.002642 0.000527 29O 2dyz 0.006028 0.001252 -0.002767 0.003058 0.000835 -0.000543 29O 2dx2y2 -0.002722 -0.001073 -0.002324 0.000896 0.004357 -0.001959 29O 2dxy 0.005770 0.001368 0.002923 0.002845 -0.000444 0.000061 29O 1f0 -0.032956 -0.001847 -0.005039 0.025361 0.001555 -0.005779 29O 1f+1 0.001990 -0.008430 0.013675 -0.052083 -0.014725 0.009126 29O 1f-1 0.000427 -0.002978 -0.013559 -0.003854 -0.019745 0.002984 29O 1f+2 -0.059086 -0.008587 -0.050469 0.064965 -0.024980 0.006546 29O 1f-2 0.007663 -0.000773 -0.002608 -0.034347 -0.026040 0.006229 29O 1f+3 0.022138 0.009239 0.013328 -0.037841 -0.032225 0.006591 29O 1f-3 -0.026552 -0.005536 -0.030722 0.011754 -0.013371 0.007623 30O 1s -0.001182 0.000242 -0.008115 0.001836 -0.006729 0.003888 30O 2s -0.003979 0.000812 -0.024892 0.005556 -0.021408 0.011981 30O 3s 0.032999 -0.008477 0.168383 -0.036911 0.187922 -0.102935 30O 4s -0.058555 0.023440 -0.129205 0.025687 -0.350506 0.229697 30O 5s 0.149794 -0.009699 0.497587 -0.166403 0.516564 0.123891 30O 1pz -0.007050 -0.012661 -0.018629 0.005013 -0.027581 0.012271 30O 1px 0.003813 -0.003915 0.054665 -0.011895 0.054822 -0.056206 30O 1py -0.004823 -0.010727 0.005581 0.000482 0.021758 -0.002592 30O 2pz 0.002301 0.032385 -0.073941 0.017158 0.024724 -0.048434 30O 2px 0.003657 0.010644 0.025751 -0.012139 -0.089880 0.159284 30O 2py 0.029483 0.030904 0.119379 -0.035153 -0.000800 0.028360 30O 3pz 0.016867 -0.028772 0.009268 0.045829 0.066831 0.128278 30O 3px 0.029227 -0.003561 0.132973 -0.048001 0.168369 0.058866 30O 3py -0.048940 -0.009460 -0.036092 0.022904 -0.141436 -0.216987 30O 1dz2 -0.000603 -0.037938 0.046046 -0.022936 0.039407 -0.003204 30O 1dxz 0.021552 0.053359 0.051154 -0.002021 0.047549 -0.029417 30O 1dyz 0.008277 0.000502 0.073656 -0.011707 0.026710 0.007541 30O 1dx2y2 0.000857 0.003053 -0.046805 0.007039 -0.063397 0.026808 30O 1dxy 0.021770 0.042413 0.008222 0.007775 -0.013917 0.027992 30O 2dz2 -0.000687 -0.002480 -0.009074 0.006022 -0.002533 0.006963 30O 2dxz -0.004467 0.004340 -0.053749 0.014435 -0.006945 0.004895 30O 2dyz -0.000917 -0.002139 -0.020272 0.004587 -0.002359 0.014149 30O 2dx2y2 0.002592 -0.001691 0.022709 -0.005122 0.002050 -0.004243 30O 2dxy 0.008878 0.004680 0.068460 -0.016396 0.012486 0.003199 30O 1f0 -0.044120 -0.115784 -0.215357 0.020740 -0.192890 -0.206342 30O 1f+1 -0.013488 -0.136299 0.176001 -0.074680 0.144247 0.111571 30O 1f-1 -0.018292 0.028761 -0.135113 0.040326 -0.096101 -0.084564 30O 1f+2 0.036308 0.155362 -0.089229 0.039506 -0.056437 -0.129216 30O 1f-2 -0.003422 -0.027212 0.094845 -0.017791 0.068137 -0.015818 30O 1f+3 0.000751 -0.030654 0.203178 -0.027684 0.190078 0.201221 30O 1f-3 -0.099850 -0.163929 -0.237378 0.006017 -0.110047 -0.099174 31O 1s 0.001180 0.000243 0.008125 -0.001832 -0.006720 -0.003874 31O 2s 0.003969 0.000813 0.024923 -0.005539 -0.021379 -0.011930 31O 3s -0.032881 -0.008467 -0.168580 0.036696 0.187712 0.102368 31O 4s 0.058196 0.023292 0.129425 -0.025032 -0.350314 -0.228114 31O 5s -0.149059 -0.010485 -0.500628 0.166965 0.517712 -0.124505 31O 1pz -0.006974 0.012751 -0.018618 0.005031 0.027548 0.012171 31O 1px 0.003737 0.003924 0.054667 -0.011851 -0.054709 -0.056028 31O 1py -0.004913 0.010743 0.005542 0.000544 -0.021721 -0.002511 31O 2pz 0.002078 -0.032684 -0.074356 0.017198 -0.024619 -0.048067 31O 2px 0.003945 -0.010564 0.026137 -0.012435 0.089600 0.158625 31O 2py 0.029733 -0.030799 0.119821 -0.035448 0.000732 0.028075 31O 3pz 0.017129 0.028714 0.009133 0.045871 -0.066728 0.128766 31O 3px 0.028839 0.003830 0.133551 -0.048279 -0.168792 0.059088 31O 3py -0.049307 0.009313 -0.036498 0.022860 0.141718 -0.218004 31O 1dz2 0.000604 -0.038115 -0.046176 0.022794 0.039381 0.003097 31O 1dxz -0.021450 0.053577 -0.051174 0.002029 0.047492 0.029263 31O 1dyz -0.008287 0.000474 -0.073600 0.011726 0.026576 -0.007558 31O 1dx2y2 -0.000857 0.003109 0.046910 -0.007110 -0.063382 -0.026647 31O 1dxy -0.021835 0.042570 -0.008155 -0.007703 -0.013892 -0.027998 31O 2dz2 0.000680 -0.002466 0.009070 -0.006022 -0.002521 -0.006947 31O 2dxz 0.004518 0.004384 0.053914 -0.014474 -0.006955 -0.004999 31O 2dyz 0.000896 -0.002130 0.020349 -0.004658 -0.002350 -0.014237 31O 2dx2y2 -0.002631 -0.001692 -0.022793 0.005144 0.002083 0.004270 31O 2dxy -0.008938 0.004641 -0.068578 0.016472 0.012452 -0.003123 31O 1f0 -0.044217 0.116112 -0.215541 0.020928 0.192961 -0.206822 31O 1f+1 -0.013292 0.137003 0.176331 -0.074412 -0.144173 0.111768 31O 1f-1 -0.018398 -0.028790 -0.135229 0.040252 0.095988 -0.084743 31O 1f+2 0.036140 -0.155884 -0.089330 0.039181 0.056257 -0.129143 31O 1f-2 -0.003427 0.027410 0.094859 -0.017741 -0.067998 -0.015726 31O 1f+3 0.001007 0.030873 0.203334 -0.027654 -0.190045 0.201596 31O 1f-3 -0.099853 0.164535 -0.237438 0.006245 0.110044 -0.099592 32O 1s -0.000045 0.000113 0.000020 -0.000169 -0.000842 0.000212 32O 2s -0.000101 0.000329 0.000071 -0.000507 -0.002433 0.000761 32O 3s -0.000353 -0.002774 -0.001195 0.004525 0.022481 -0.009125 32O 4s 0.000042 0.006136 -0.002489 -0.016294 -0.063441 0.018604 32O 5s 0.028487 -0.015156 0.042864 0.056701 0.125835 0.005091 32O 1pz 0.002951 -0.000188 -0.001435 0.001880 -0.003344 -0.001191 32O 1px 0.002306 -0.000409 0.002067 0.002241 0.008454 0.000079 32O 1py 0.000596 -0.000937 0.003004 0.000483 -0.001446 -0.004103 32O 2pz -0.019020 0.002431 0.005709 -0.007611 0.008781 0.005107 32O 2px -0.013384 0.002312 -0.007872 -0.010115 -0.018354 -0.001207 32O 2py 0.001695 0.001803 -0.007832 0.000043 0.004324 0.014823 32O 3pz -0.028139 0.005644 -0.019938 0.048329 -0.019146 -0.012405 32O 3px -0.014520 0.005242 -0.015494 0.027915 0.068478 0.023938 32O 3py 0.023822 -0.007299 0.052138 0.023041 -0.000786 -0.015617 32O 1dz2 -0.005823 0.002083 -0.006771 0.003518 0.015473 0.002189 32O 1dxz 0.005384 0.000117 0.002451 -0.011055 0.021045 0.004533 32O 1dyz 0.003932 -0.001440 0.002191 -0.009071 0.000287 0.000558 32O 1dx2y2 0.003783 0.000586 0.003511 -0.003619 -0.020066 -0.006658 32O 1dxy 0.004030 -0.000253 0.008076 0.000976 -0.004625 -0.000186 32O 2dz2 -0.006251 0.000371 -0.002656 0.002164 -0.000217 0.000996 32O 2dxz 0.007803 -0.001090 0.001100 -0.005178 -0.002688 -0.000618 32O 2dyz -0.006091 0.001286 0.002601 -0.003206 0.000986 0.000730 32O 2dx2y2 0.002915 -0.001115 0.002316 -0.000830 0.004354 0.001943 32O 2dxy -0.005510 0.001311 -0.002905 -0.002992 -0.000345 0.000025 32O 1f0 -0.032245 0.002005 -0.003425 0.024898 -0.002256 -0.005315 32O 1f+1 0.001164 0.008803 0.012040 -0.051102 0.014062 0.009305 32O 1f-1 -0.003510 0.003347 -0.015561 -0.000404 0.020730 0.002877 32O 1f+2 -0.059172 0.008578 -0.049500 0.067777 0.024098 0.006681 32O 1f-2 0.005882 0.001442 -0.003928 -0.034204 0.025936 0.006315 32O 1f+3 0.022523 -0.009183 0.012904 -0.039251 0.032793 0.006641 32O 1f-3 -0.024589 0.005027 -0.029041 0.009749 0.013729 0.007628 33O 1s 0.000103 0.000093 -0.001597 -0.008616 -0.006056 -0.003162 33O 2s 0.000339 0.000285 -0.004908 -0.026486 -0.019342 -0.009666 33O 3s -0.003696 -0.000887 0.033411 0.184927 0.172279 0.082036 33O 4s 0.015805 -0.008460 -0.024231 -0.180502 -0.328341 -0.184197 33O 5s -0.045075 -0.017152 0.074057 0.534025 0.421439 -0.087946 33O 1pz -0.015879 0.012111 0.003861 0.018122 0.027037 0.007446 33O 1px -0.011815 0.008065 -0.012366 -0.060823 -0.051217 -0.044847 33O 1py 0.028412 -0.020174 -0.001578 -0.013633 -0.003960 -0.014126 33O 2pz 0.035532 -0.035691 0.018637 0.105398 -0.018765 -0.036462 33O 2px 0.027655 -0.013401 -0.001676 -0.018861 0.087846 0.128493 33O 2py -0.067754 0.048995 0.008403 0.062973 0.025566 0.028332 33O 3pz -0.013994 0.021914 -0.008313 0.003854 -0.132767 0.210750 33O 3px -0.008712 0.016329 -0.032070 -0.123756 -0.105482 0.002129 33O 3py 0.047055 -0.024596 0.028736 -0.065294 -0.124166 0.126240 33O 1dz2 0.016280 -0.026886 -0.012079 0.006161 0.019973 0.014518 33O 1dxz -0.051779 0.038798 0.014517 0.047562 0.037417 0.027991 33O 1dyz -0.031062 0.036539 -0.002206 -0.056760 -0.012614 0.022260 33O 1dx2y2 -0.067174 0.047321 -0.009880 -0.073125 -0.060394 -0.016972 33O 1dxy 0.088558 -0.074467 -0.023864 -0.042914 -0.031865 0.006662 33O 2dz2 -0.003244 0.001134 0.002390 0.001646 0.001040 0.003367 33O 2dxz -0.001289 0.004077 -0.013091 -0.075125 -0.007863 -0.005719 33O 2dyz -0.001666 0.002842 -0.003227 -0.004183 -0.001004 0.010164 33O 2dx2y2 -0.003562 0.001078 0.009337 0.041919 0.001789 0.009408 33O 2dxy 0.004361 -0.004054 -0.003228 -0.018988 -0.005761 0.009498 33O 1f0 -0.180882 0.167105 0.023081 -0.080172 -0.022114 0.032370 33O 1f+1 -0.106729 0.108096 0.024152 -0.062240 -0.052720 0.070569 33O 1f-1 0.067080 -0.037931 -0.055170 -0.266417 -0.219786 0.283111 33O 1f+2 0.062158 -0.037034 0.012065 0.011245 -0.012998 -0.040958 33O 1f-2 0.133589 -0.118280 0.005760 0.144528 0.060491 -0.015720 33O 1f+3 -0.308424 0.248198 0.012220 -0.117421 -0.119368 0.121823 33O 1f-3 0.233531 -0.196262 -0.098532 -0.257071 -0.190796 0.158952 34O 1s 0.001198 0.000125 0.008486 -0.001603 -0.006702 0.003525 34O 2s 0.003955 0.000443 0.026020 -0.005007 -0.021362 0.010953 34O 3s -0.030996 -0.005204 -0.178037 0.036750 0.188656 -0.097309 34O 4s 0.049989 0.016300 0.147410 -0.043195 -0.351375 0.231409 34O 5s -0.145620 0.014823 -0.474366 0.070859 0.504376 0.176121 34O 1pz -0.002334 0.014380 0.018787 -0.001328 -0.011139 0.019437 34O 1px -0.007140 0.000312 -0.061620 0.011887 0.063790 -0.047360 34O 1py -0.005532 0.009834 -0.013681 0.003943 -0.000287 -0.016126 34O 2pz 0.004710 -0.039305 -0.039399 0.003313 0.033272 -0.044791 34O 2px -0.010228 0.003913 -0.075810 0.006104 -0.083900 0.164245 34O 2py 0.024693 -0.027704 0.091287 -0.021920 -0.030689 0.024209 34O 3pz 0.028278 0.024274 0.079437 0.015329 -0.139190 -0.125170 34O 3px 0.000689 0.002371 -0.093034 -0.014180 0.035429 -0.078577 34O 3py -0.059834 0.015704 -0.073500 0.057750 0.191168 0.198793 34O 1dz2 -0.018422 0.029878 -0.064867 0.011936 0.043672 -0.006304 34O 1dxz 0.014776 -0.057186 -0.021965 0.019291 0.040796 -0.008130 34O 1dyz -0.011978 0.004236 -0.066885 0.008902 0.028111 0.019799 34O 1dx2y2 0.001469 -0.006454 0.060084 -0.005327 -0.062232 0.035856 34O 1dxy 0.012530 -0.042915 -0.004465 0.008545 -0.017096 0.003562 34O 2dz2 0.003586 0.002055 0.038753 -0.007697 -0.005542 0.005006 34O 2dxz 0.002586 -0.006099 0.009796 -0.001746 0.000214 0.006091 34O 2dyz -0.002187 -0.000058 -0.018791 0.005473 0.006316 0.014029 34O 2dx2y2 -0.009070 0.000553 -0.074190 0.008777 0.009401 0.000626 34O 2dxy 0.004096 -0.003331 0.027840 -0.006456 -0.007871 -0.001835 34O 1f0 0.007224 0.035874 0.067483 -0.027997 -0.048845 0.020791 34O 1f+1 -0.068510 0.209830 -0.113002 -0.018852 0.101458 0.083282 34O 1f-1 0.001581 0.024662 0.080524 0.001017 -0.048342 -0.023245 34O 1f+2 0.050760 -0.114862 -0.076800 0.048472 0.143033 0.195821 34O 1f-2 -0.028983 -0.042189 -0.376066 0.091990 0.307743 0.295370 34O 1f+3 0.053454 -0.069969 0.094775 -0.013322 -0.029599 -0.083297 34O 1f-3 -0.046024 0.136773 -0.047803 -0.024179 0.048740 0.075223 35O 1s 0.000206 0.000094 -0.001555 -0.008379 -0.006106 0.003593 35O 2s 0.000735 0.000258 -0.004787 -0.025785 -0.019550 0.011019 35O 3s -0.008459 0.000219 0.033179 0.177862 0.174631 -0.093262 35O 4s 0.024381 -0.009411 -0.025697 -0.142908 -0.330215 0.203879 35O 5s -0.012871 -0.029135 0.043256 0.506689 0.422989 0.148862 35O 1pz -0.016538 0.013212 -0.003612 -0.020022 -0.005164 0.021998 35O 1px -0.011196 0.006598 0.011698 0.058492 0.058038 -0.047262 35O 1py 0.027983 -0.021019 0.003018 0.008342 0.018869 -0.004038 35O 2pz 0.042882 -0.038489 0.013957 0.084170 0.030561 -0.045879 35O 2px 0.032410 -0.027656 0.005951 0.074195 -0.090230 0.139679 35O 2py -0.067843 0.049488 0.008057 0.081945 -0.016573 0.024639 35O 3pz -0.013909 0.021529 -0.037922 -0.124158 -0.179097 -0.180769 35O 3px -0.012498 0.003846 -0.013193 0.104588 0.052651 -0.040913 35O 3py 0.047672 -0.036488 0.018874 -0.056470 -0.094111 -0.128683 35O 1dz2 -0.048890 0.027764 0.000158 0.008955 0.023136 -0.025755 35O 1dxz 0.037139 -0.039009 -0.004387 0.034360 0.036224 -0.007044 35O 1dyz 0.051526 -0.036193 -0.015702 -0.056122 -0.011474 -0.017206 35O 1dx2y2 0.039172 -0.042249 -0.026800 -0.069459 -0.064057 0.026757 35O 1dxy -0.089281 0.077050 0.002846 -0.057359 -0.031220 0.013799 35O 2dz2 -0.003572 0.003781 -0.005783 -0.053518 -0.005529 -0.001004 35O 2dxz 0.006312 -0.006798 0.003703 0.013499 0.002546 0.005568 35O 2dyz 0.004956 -0.003915 -0.003643 -0.013334 -0.003144 -0.009925 35O 2dx2y2 0.004017 -0.006220 0.009144 0.051753 0.003785 -0.009980 35O 2dxy -0.004768 0.003165 0.007319 0.048607 0.002361 -0.007859 35O 1f0 -0.041838 0.056313 0.026240 -0.038186 -0.039790 -0.047045 35O 1f+1 -0.268587 0.227523 0.003808 -0.185126 -0.076692 -0.068258 35O 1f-1 -0.044622 0.028858 -0.009128 -0.047733 -0.056174 -0.150754 35O 1f+2 -0.021525 0.024277 0.068777 0.288973 0.215266 0.223718 35O 1f-2 0.246601 -0.195318 -0.081211 -0.260442 -0.162295 -0.147753 35O 1f+3 -0.103819 0.099025 0.044989 0.093431 0.091654 0.052573 35O 1f-3 0.296741 -0.249655 -0.027463 0.117722 0.096323 0.058066 654 655 656 657 658 659 5.58060 5.60257 5.70094 5.70326 5.78184 5.81587 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s -0.000033 -0.000022 -0.000053 0.000061 0.001628 -0.000004 0Rh 2s 0.000464 0.000559 0.000239 -0.000453 -0.017870 0.000005 0Rh 3s 0.000074 0.000200 -0.000178 0.000101 -0.000730 -0.000021 0Rh 4s -0.002735 -0.003248 -0.001570 0.002823 0.107959 -0.000032 0Rh 5s 0.007465 0.009153 0.004041 -0.007688 -0.298598 -0.000030 0Rh 6s -0.010373 -0.013523 -0.004018 0.009940 0.409311 0.000441 0Rh 7s 0.030348 0.037838 -0.000773 0.007028 -1.030175 -0.006772 0Rh 8s -0.011138 0.014328 -0.014863 0.018487 -0.014917 0.004252 0Rh 1pz -0.000258 -0.000647 -0.038521 -0.039527 0.000131 0.001816 0Rh 1px -0.002158 -0.000381 -0.017509 -0.007350 0.005478 0.000683 0Rh 1py -0.001237 -0.001275 0.040467 -0.041799 0.002378 0.001626 0Rh 2pz 0.001076 0.002699 0.159516 0.163683 -0.000382 -0.007555 0Rh 2px 0.008915 0.001584 0.072529 0.030386 -0.023323 -0.002840 0Rh 2py 0.005115 0.005282 -0.167616 0.173107 -0.009991 -0.006755 0Rh 3pz -0.003564 -0.008888 -0.503626 -0.516925 -0.002422 0.024366 0Rh 3px -0.027868 -0.005099 -0.229511 -0.094814 0.087272 0.009189 0Rh 3py -0.016042 -0.016790 0.530061 -0.546849 0.034470 0.021611 0Rh 4pz 0.004997 0.011977 0.626122 0.643995 0.016247 -0.031324 0Rh 4px 0.034294 0.006535 0.287279 0.113691 -0.155098 -0.012080 0Rh 4py 0.019832 0.021516 -0.661484 0.680712 -0.052435 -0.027077 0Rh 5pz -0.003813 -0.007074 -0.321793 -0.337569 -0.040984 0.016764 0Rh 5px -0.017940 -0.003350 -0.153015 -0.045976 0.184756 0.007651 0Rh 5py -0.010265 -0.013225 0.345128 -0.351896 0.045233 0.012426 0Rh 6pz -0.000788 0.001767 0.343604 0.461988 0.161015 -0.001982 0Rh 6px 0.013897 -0.009726 0.207037 -0.082402 -0.382551 -0.007073 0Rh 6py -0.000182 0.039358 -0.402351 0.397177 0.053613 0.000741 0Rh 1dz2 0.005072 0.013942 0.000889 -0.000275 -0.000023 -0.004938 0Rh 1dxz -0.000308 -0.000472 -0.000805 -0.001896 -0.000282 0.000548 0Rh 1dyz 0.011084 0.032755 -0.000085 -0.000418 -0.000068 -0.011330 0Rh 1dx2y2 0.000973 0.004257 -0.000849 0.000714 -0.000017 -0.001556 0Rh 1dxy 0.004149 0.012844 0.001001 -0.001178 0.000026 -0.004523 0Rh 2dz2 -0.003308 -0.007161 0.000290 0.000728 0.001799 0.004291 0Rh 2dxz 0.000110 0.000392 -0.000678 -0.000867 0.002254 -0.000469 0Rh 2dyz -0.007747 -0.017254 -0.000878 0.000357 0.000473 0.010345 0Rh 2dx2y2 -0.000845 -0.002185 -0.000858 0.000006 -0.003351 0.001506 0Rh 2dxy -0.002858 -0.006647 0.000693 -0.000958 -0.001353 0.004007 0Rh 3dz2 -0.009238 -0.034436 -0.005751 -0.002009 -0.008627 0.004244 0Rh 3dxz 0.001035 0.000490 0.007131 0.013536 -0.009570 -0.000544 0Rh 3dyz -0.017745 -0.078936 0.004628 0.000409 -0.001937 0.007315 0Rh 3dx2y2 -0.000797 -0.010593 0.008308 -0.003678 0.016487 0.000611 0Rh 3dxy -0.006856 -0.031575 -0.008191 0.010333 0.006487 0.003522 0Rh 4dz2 0.004423 0.037499 0.012562 0.005889 0.027695 0.012221 0Rh 4dxz -0.002024 0.000901 -0.016211 -0.031540 0.032059 -0.000877 0Rh 4dyz 0.002080 0.082199 -0.013398 0.000303 0.006492 0.036156 0Rh 4dx2y2 -0.002112 0.011683 -0.020908 0.008916 -0.053025 0.006242 0Rh 4dxy 0.001483 0.034455 0.018506 -0.024072 -0.020960 0.012449 0Rh 5dz2 0.065975 0.103908 -0.013673 -0.005622 -0.079206 -0.133843 0Rh 5dxz 0.002461 -0.012163 0.014454 0.047953 -0.095331 0.011637 0Rh 5dyz 0.169698 0.262000 0.029302 -0.003058 -0.018786 -0.336821 0Rh 5dx2y2 0.023106 0.033431 0.038413 -0.021206 0.152471 -0.051136 0Rh 5dxy 0.062229 0.094517 -0.017536 0.028692 0.058079 -0.127941 0Rh 1f0 -0.000607 0.001007 -0.001660 0.000495 0.000065 -0.002429 0Rh 1f+1 0.000516 -0.001283 -0.000927 0.000302 0.000638 0.003922 0Rh 1f-1 -0.001207 0.001241 0.000005 0.004857 0.002352 -0.003266 0Rh 1f+2 -0.000309 0.001353 -0.002555 -0.000485 -0.000194 -0.002702 0Rh 1f-2 0.001709 -0.003412 -0.001488 0.000924 0.000692 0.008396 0Rh 1f+3 -0.000328 0.000227 0.000880 0.001468 0.001152 -0.001085 0Rh 1f-3 -0.001183 0.001906 0.000044 -0.000397 -0.000026 -0.004097 1Rh 1s -0.000030 0.000021 0.000050 -0.000058 0.001626 -0.000003 1Rh 2s 0.000422 -0.000550 -0.000219 0.000431 -0.017860 -0.000001 1Rh 3s 0.000068 -0.000200 0.000172 -0.000096 -0.000736 -0.000021 1Rh 4s -0.002487 0.003193 0.001446 -0.002683 0.107893 0.000004 1Rh 5s 0.006793 -0.009007 -0.003710 0.007327 -0.298427 -0.000132 1Rh 6s -0.009470 0.013338 0.003626 -0.009576 0.409145 0.000580 1Rh 7s 0.028157 -0.037850 0.002055 -0.006445 -1.029661 -0.007004 1Rh 8s -0.010840 -0.014350 0.014020 -0.019687 -0.015071 0.004173 1Rh 1pz 0.000220 -0.000564 -0.038549 -0.039581 -0.000102 -0.001730 1Rh 1px 0.002152 -0.000338 -0.017534 -0.007196 -0.005534 -0.000711 1Rh 1py 0.001260 -0.001165 0.040454 -0.041803 -0.002344 -0.001621 1Rh 2pz -0.000919 0.002357 0.159631 0.163907 0.000262 0.007198 1Rh 2px -0.008890 0.001407 0.072630 0.029747 0.023553 0.002959 1Rh 2py -0.005208 0.004829 -0.167562 0.173123 0.009847 0.006735 1Rh 3pz 0.003072 -0.007819 -0.503990 -0.517621 0.002803 -0.023220 1Rh 3px 0.027782 -0.004536 -0.229838 -0.092789 -0.088013 -0.009575 1Rh 3py 0.016341 -0.015412 0.529893 -0.546902 -0.034015 -0.021558 1Rh 4pz -0.004386 0.010656 0.626582 0.644830 -0.016715 0.029862 1Rh 4px -0.034159 0.005827 0.287694 0.111137 0.156051 0.012592 1Rh 4py -0.020225 0.019943 -0.661275 0.680777 0.051873 0.027027 1Rh 5pz 0.003509 -0.006371 -0.322045 -0.337971 0.041197 -0.015982 1Rh 5px 0.017787 -0.003026 -0.153145 -0.044559 -0.185294 -0.007956 1Rh 5py 0.010532 -0.012673 0.344989 -0.351916 -0.044993 -0.012409 1Rh 6pz 0.001138 0.000490 0.342819 0.465712 -0.162604 0.001371 1Rh 6px -0.013345 -0.008993 0.204945 -0.082220 0.382994 0.007188 1Rh 6py -0.000810 0.038084 -0.399557 0.397271 -0.052317 -0.001017 1Rh 1dz2 0.005050 -0.013958 -0.000895 0.000272 -0.000026 -0.004941 1Rh 1dxz -0.000339 0.000468 0.000812 0.001886 -0.000292 0.000545 1Rh 1dyz 0.011082 -0.032783 0.000079 0.000423 -0.000091 -0.011354 1Rh 1dx2y2 0.001021 -0.004234 0.000829 -0.000711 -0.000015 -0.001553 1Rh 1dxy 0.004137 -0.012859 -0.000991 0.001186 0.000039 -0.004503 1Rh 2dz2 -0.003295 0.007158 -0.000290 -0.000726 0.001802 0.004288 1Rh 2dxz 0.000127 -0.000397 0.000678 0.000869 0.002255 -0.000473 1Rh 2dyz -0.007745 0.017262 0.000876 -0.000352 0.000481 0.010353 1Rh 2dx2y2 -0.000866 0.002182 0.000861 -0.000007 -0.003352 0.001506 1Rh 2dxy -0.002860 0.006649 -0.000695 0.000961 -0.001356 0.004000 1Rh 3dz2 -0.009189 0.034530 0.005783 0.002017 -0.008623 0.004275 1Rh 3dxz 0.001107 -0.000445 -0.007171 -0.013497 -0.009521 -0.000508 1Rh 3dyz -0.017741 0.079033 -0.004584 -0.000459 -0.001855 0.007398 1Rh 3dx2y2 -0.000937 0.010496 -0.008223 0.003662 0.016481 0.000596 1Rh 3dxy -0.006781 0.031645 0.008154 -0.010393 0.006434 0.003452 1Rh 4dz2 0.004374 -0.037723 -0.012631 -0.005886 0.027698 0.012134 1Rh 4dxz -0.002095 -0.001024 0.016311 0.031468 0.031943 -0.000981 1Rh 4dyz 0.002082 -0.082379 0.013290 -0.000154 0.006344 0.035994 1Rh 4dx2y2 -0.001910 -0.011484 0.020726 -0.008878 -0.053013 0.006279 1Rh 4dxy 0.001306 -0.034613 -0.018439 0.024225 -0.020845 0.012582 1Rh 5dz2 0.065844 -0.103413 0.013815 0.005401 -0.079280 -0.133557 1Rh 5dxz 0.002270 0.012504 -0.014686 -0.047897 -0.095029 0.011922 1Rh 5dyz 0.169639 -0.261788 -0.029020 0.002581 -0.018664 -0.336402 1Rh 5dx2y2 0.023122 -0.033730 -0.038141 0.021152 0.152458 -0.051189 1Rh 5dxy 0.062583 -0.094226 0.017531 -0.029032 0.057795 -0.128103 1Rh 1f0 0.000617 0.000979 -0.001661 0.000479 -0.000060 0.002414 1Rh 1f+1 -0.000532 -0.001285 -0.000910 0.000322 -0.000627 -0.003907 1Rh 1f-1 0.001201 0.001219 0.000007 0.004904 -0.002373 0.003281 1Rh 1f+2 0.000287 0.001342 -0.002506 -0.000521 0.000251 0.002729 1Rh 1f-2 -0.001723 -0.003411 -0.001472 0.000905 -0.000626 -0.008352 1Rh 1f+3 0.000304 0.000228 0.000884 0.001518 -0.001175 0.001105 1Rh 1f-3 0.001200 0.001871 0.000053 -0.000369 0.000031 0.004101 2C 1s 0.006288 -0.001393 -0.000216 -0.001319 -0.001973 -0.001879 2C 2s 0.011703 -0.001611 0.000529 0.002627 -0.001876 -0.001568 2C 3s 0.031582 -0.020241 -0.016219 -0.093792 0.070119 0.012798 2C 4s -0.583609 0.097342 -0.009589 0.006176 -0.618369 -0.361960 2C 5s 0.936555 0.139951 0.115611 0.618816 0.398420 1.144695 2C 1pz -0.040042 0.008413 -0.004389 -0.019148 0.010886 0.002888 2C 1px -0.004476 -0.026706 -0.001490 -0.004893 -0.000123 -0.002839 2C 1py -0.028308 -0.005019 -0.001182 -0.013536 0.008632 0.003383 2C 2pz -0.329370 -0.134514 -0.009189 -0.098620 -0.349922 -0.225487 2C 2px -0.144548 0.252844 0.015606 0.030380 0.001317 0.036298 2C 2py -0.181249 0.013470 -0.025235 -0.052329 -0.259417 -0.174661 2C 3pz 0.207094 0.028133 0.012793 0.166777 0.071798 0.257477 2C 3px 0.074178 -0.000176 -0.003423 0.020853 -0.032011 0.007308 2C 3py 0.127701 0.016818 0.046866 0.099352 0.060050 0.171368 2C 1dz2 -0.043146 -0.025495 0.003870 0.017137 0.009334 0.015747 2C 1dxz -0.018322 0.037574 0.001699 0.010339 0.006774 0.009873 2C 1dyz -0.064518 -0.006666 0.004233 0.024555 0.010717 0.024200 2C 1dx2y2 0.021992 0.002080 -0.002285 -0.012029 -0.010920 -0.014412 2C 1dxy -0.012574 0.028199 0.003173 0.001634 -0.000502 0.002338 2C 2dz2 -0.060535 -0.121511 -0.003064 0.000936 -0.060035 -0.039712 2C 2dxz 0.014984 0.157934 -0.017420 -0.086272 -0.135100 -0.117388 2C 2dyz -0.124337 -0.038949 0.010009 0.038405 -0.039946 -0.012875 2C 2dx2y2 0.001397 0.019666 0.002620 0.024037 0.059407 0.048720 2C 2dxy -0.038494 0.122274 0.001150 -0.022349 -0.025925 -0.015538 2C 1f0 -0.012394 -0.067290 0.004073 0.037075 0.022566 0.024531 2C 1f+1 -0.022962 0.063131 0.014501 0.068317 0.056176 0.060225 2C 1f-1 -0.035193 -0.026383 0.009550 0.049625 0.011252 0.020603 2C 1f+2 0.035606 0.010522 -0.013553 -0.078455 -0.050848 -0.058422 2C 1f-2 -0.017383 0.115697 0.005405 0.024065 0.000573 0.009227 2C 1f+3 0.007328 0.015715 -0.002202 -0.009489 -0.008533 -0.009519 2C 1f-3 -0.014251 -0.036909 0.010675 0.051473 0.049372 0.049790 3C 1s -0.005624 0.000614 -0.001237 0.000104 -0.002035 0.001859 3C 2s -0.010504 0.000552 0.002758 -0.000730 -0.001969 0.001534 3C 3s -0.031993 0.006537 -0.094144 0.016112 0.067688 -0.012286 3C 4s 0.541367 -0.002270 0.001584 0.008656 -0.612085 0.369309 3C 5s -0.871608 -0.163080 0.616934 -0.130291 0.410149 -1.147447 3C 1pz 0.024281 -0.006971 -0.012396 0.001544 0.009797 -0.005444 3C 1px 0.012322 0.025314 -0.007632 -0.000010 0.001649 0.001114 3C 1py -0.034155 0.002852 0.019674 -0.005166 -0.009846 0.001575 3C 2pz 0.096712 0.119042 -0.064384 0.020537 -0.284773 0.214211 3C 2px 0.142413 -0.219910 -0.007230 0.010444 -0.078600 0.038452 3C 2py -0.331728 -0.115260 0.095255 0.004589 0.332962 -0.208035 3C 3pz -0.084796 -0.020481 0.089332 -0.047812 0.077694 -0.177429 3C 3px -0.089341 -0.009195 0.056634 -0.015539 0.010136 -0.066054 3C 3py 0.197232 0.031553 -0.163588 0.014371 -0.059574 0.247150 3C 1dz2 -0.009699 0.010802 -0.000228 0.002855 0.003156 -0.001298 3C 1dxz 0.020485 -0.017563 0.010078 -0.003346 0.008010 -0.011814 3C 1dyz -0.052976 -0.023203 -0.019241 0.004148 -0.009482 0.020780 3C 1dx2y2 -0.036951 -0.025110 -0.020363 0.002287 -0.012420 0.018701 3C 1dxy -0.031225 0.030226 -0.014235 0.003081 -0.006420 0.013941 3C 2dz2 -0.034847 0.048345 0.028044 -0.005668 0.027751 -0.019757 3C 2dxz 0.013565 -0.069851 -0.033109 0.000464 -0.068076 0.055014 3C 2dyz -0.126894 -0.100981 -0.063030 0.018863 -0.010791 0.034555 3C 2dx2y2 -0.025461 -0.114544 0.027314 -0.003450 0.114735 -0.089341 3C 2dxy -0.030175 0.135928 0.042924 -0.010329 0.097488 -0.084101 3C 1f0 -0.005378 -0.008119 0.002977 -0.000923 0.023923 -0.019369 3C 1f+1 0.012804 0.023295 0.042270 -0.008502 0.040538 -0.042225 3C 1f-1 -0.004862 -0.045896 -0.002768 0.001995 -0.009056 0.007201 3C 1f+2 -0.030568 -0.046156 -0.044154 0.007016 -0.010100 0.018860 3C 1f-2 -0.031249 0.064135 -0.072232 0.012361 -0.044286 0.053448 3C 1f+3 0.024577 -0.059633 0.065023 -0.014740 0.045145 -0.050580 3C 1f-3 -0.019729 -0.086593 -0.064336 0.010685 -0.052943 0.055694 4C 1s 0.009188 0.000330 0.005648 0.029966 0.017525 0.013614 4C 2s 0.019448 0.000869 0.009930 0.053240 0.030604 0.021774 4C 3s -0.335380 -0.003649 -0.017442 -0.144193 -0.090426 0.117946 4C 4s 1.078456 0.031430 -0.190202 -0.763897 -0.304212 -1.157053 4C 5s -0.243994 -0.055578 -0.014046 0.096845 -0.184661 -0.260264 4C 1pz 0.001968 -0.009261 -0.005297 -0.033533 0.017068 0.038032 4C 1px -0.006725 0.027027 -0.000766 -0.014888 0.013520 0.015691 4C 1py -0.000700 0.003490 -0.004180 -0.024377 0.015591 0.030179 4C 2pz -0.366628 -0.134337 -0.132147 -0.614415 -0.803971 -0.874379 4C 2px -0.070037 0.330244 0.005974 -0.063723 -0.160154 -0.133673 4C 2py -0.246642 0.048310 -0.087387 -0.417724 -0.559802 -0.595985 4C 3pz 0.752670 0.149144 0.146414 0.646712 0.042055 0.759350 4C 3px 0.137726 -0.245771 0.043407 0.157227 0.049457 0.150886 4C 3py 0.510147 0.002792 0.012795 0.465674 0.028717 0.520001 4C 1dz2 -0.002478 0.002723 -0.024526 -0.118047 -0.099916 -0.103247 4C 1dxz 0.013216 -0.004465 -0.003267 -0.028178 -0.029628 -0.028680 4C 1dyz -0.035585 -0.004275 -0.042655 -0.231103 -0.156396 -0.169162 4C 1dx2y2 -0.025218 -0.002698 0.001264 0.011656 0.038064 0.035167 4C 1dxy -0.021882 -0.002864 -0.012074 -0.068560 -0.030451 -0.035813 4C 2dz2 0.067882 -0.286844 0.041533 0.141083 0.189985 0.164662 4C 2dxz 0.020658 0.491174 0.053102 0.148490 0.117302 0.140213 4C 2dyz 0.124488 -0.007305 -0.000497 0.059501 0.134303 0.115147 4C 2dx2y2 -0.014528 0.032731 -0.047245 -0.270877 -0.244052 -0.246783 4C 2dxy 0.038356 0.369799 -0.015319 -0.107402 -0.088795 -0.083375 4C 1f0 -0.037180 0.052379 0.025613 0.079744 0.070459 0.079471 4C 1f+1 -0.063212 -0.063801 0.041114 0.184781 0.154859 0.167688 4C 1f-1 -0.207889 0.069152 -0.008199 -0.052676 -0.030832 0.008523 4C 1f+2 0.120407 0.033843 -0.021313 -0.119347 -0.108026 -0.134420 4C 1f-2 -0.069445 -0.139670 -0.005458 -0.015082 -0.011999 -0.000050 4C 1f+3 -0.025038 0.014472 -0.007994 -0.034717 -0.033045 -0.028623 4C 1f-3 -0.030900 0.078896 0.027183 0.168593 0.137159 0.143320 5C 1s -0.008375 -0.000590 0.030318 -0.005637 0.017824 -0.014041 5C 2s -0.017779 -0.001352 0.053939 -0.010067 0.031100 -0.022567 5C 3s 0.316255 0.023321 -0.149230 0.028379 -0.083350 -0.118294 5C 4s -1.033494 -0.102704 -0.764224 0.145184 -0.351027 1.184495 5C 5s 0.213626 0.062076 0.076222 -0.009563 -0.203818 0.262878 5C 1pz -0.001541 0.005322 -0.020173 0.006323 0.013195 -0.024266 5C 1px 0.001564 -0.023322 -0.014876 -0.003592 0.004306 -0.018116 5C 1py -0.000455 -0.002568 0.037045 -0.007429 -0.020322 0.040071 5C 2pz 0.188601 0.154460 -0.390139 0.072684 -0.526586 0.555772 5C 2px 0.128562 -0.339875 -0.234013 0.041247 -0.269440 0.331311 5C 2py -0.330312 -0.119942 0.598557 -0.105154 0.821904 -0.876271 5C 3pz -0.425593 -0.126165 0.399991 -0.015800 0.022364 -0.459574 5C 3px -0.250933 0.202226 0.263001 -0.045473 0.005583 -0.294672 5C 3py 0.698301 0.127090 -0.651175 0.175660 -0.056058 0.762788 5C 1dz2 -0.022263 -0.001466 0.071447 -0.012962 0.035519 -0.038547 5C 1dxz -0.008230 0.000531 -0.037147 0.003445 -0.045572 0.043945 5C 1dyz -0.035457 -0.004461 0.219488 -0.042170 0.142337 -0.157853 5C 1dx2y2 0.009981 -0.000912 0.083084 -0.019528 0.083630 -0.086159 5C 1dxy -0.006853 -0.005571 0.104508 -0.015096 0.081429 -0.084563 5C 2dz2 0.036805 0.173231 0.149294 -0.012853 0.091084 -0.109559 5C 2dxz -0.020349 -0.241959 0.173742 -0.019319 0.189426 -0.176138 5C 2dyz 0.110967 -0.198861 -0.014358 -0.006285 -0.068840 0.061740 5C 2dx2y2 0.040865 -0.266496 -0.277746 0.063842 -0.270659 0.278038 5C 2dxy 0.055481 0.474022 -0.079533 0.008392 -0.140354 0.117459 5C 1f0 -0.101422 0.032538 0.127346 -0.024485 0.100296 -0.078240 5C 1f+1 0.015442 -0.056873 0.132095 -0.014545 0.110927 -0.118534 5C 1f-1 -0.019351 0.059253 0.010761 -0.008123 0.007547 -0.001743 5C 1f+2 -0.128535 0.037014 0.036866 -0.005969 0.018700 0.007725 5C 1f-2 -0.117409 -0.126384 -0.099762 0.017859 -0.091519 0.115872 5C 1f+3 0.112674 0.027749 0.116212 -0.018408 0.107212 -0.129481 5C 1f-3 -0.058670 0.077003 -0.169073 0.040390 -0.144959 0.159150 6C 1s -0.008371 0.000592 -0.030305 0.005643 0.017843 -0.014030 6C 2s -0.017768 0.001361 -0.053914 0.010077 0.031143 -0.022553 6C 3s 0.315519 -0.023884 0.149106 -0.028405 -0.084451 -0.117944 6C 4s -1.030244 0.105974 0.763930 -0.145342 -0.346851 1.181930 6C 5s 0.211776 -0.063742 -0.076677 0.010577 -0.202920 0.262567 6C 1pz 0.001430 0.005386 -0.020270 0.006460 -0.013114 0.024289 6C 1px -0.001443 -0.023404 -0.014852 -0.003738 -0.004333 0.018180 6C 1py 0.000540 -0.002602 0.037110 -0.007553 0.020233 -0.040134 6C 2pz -0.187828 0.154371 -0.388874 0.071581 0.525883 -0.555637 6C 2px -0.128890 -0.339678 -0.232729 0.041639 0.269364 -0.330432 6C 2py 0.329267 -0.119788 0.597467 -0.103881 -0.821788 0.876727 6C 3pz 0.425083 -0.128460 0.400922 -0.017040 -0.022250 0.461131 6C 3px 0.250160 0.201564 0.262418 -0.045429 -0.005366 0.295772 6C 3py -0.697639 0.130804 -0.652279 0.177983 0.055310 -0.765332 6C 1dz2 -0.022304 0.001564 -0.071462 0.012957 0.035552 -0.038565 6C 1dxz -0.008277 -0.000556 0.037028 -0.003387 -0.045587 0.043906 6C 1dyz -0.035456 0.004466 -0.219319 0.042231 0.142319 -0.157881 6C 1dx2y2 0.009936 0.000829 -0.083086 0.019592 0.083698 -0.086259 6C 1dxy -0.006862 0.005455 -0.104448 0.015181 0.081511 -0.084558 6C 2dz2 0.036858 -0.173809 -0.148804 0.012830 0.090642 -0.109007 6C 2dxz -0.020569 0.241636 -0.173343 0.018920 0.188972 -0.175847 6C 2dyz 0.110152 0.198927 0.013764 0.006389 -0.069098 0.062097 6C 2dx2y2 0.040463 0.267039 0.277190 -0.063467 -0.270467 0.277945 6C 2dxy 0.055855 -0.474083 0.079029 -0.008060 -0.139897 0.117244 6C 1f0 0.101188 0.032578 0.127155 -0.024349 -0.100213 0.078163 6C 1f+1 -0.015189 -0.056837 0.132054 -0.014631 -0.110931 0.118477 6C 1f-1 0.019091 0.059360 0.010535 -0.008033 -0.007378 0.001648 6C 1f+2 0.128234 0.036863 0.036808 -0.005908 -0.018875 -0.007584 6C 1f-2 0.117616 -0.126701 -0.099877 0.017839 0.091553 -0.116025 6C 1f+3 -0.112578 0.028064 0.115992 -0.018331 -0.107003 0.129300 6C 1f-3 0.058373 0.076936 -0.168988 0.040474 0.144897 -0.159097 7C 1s 0.009183 -0.000323 -0.005641 -0.029935 0.017545 0.013626 7C 2s 0.019439 -0.000856 -0.009916 -0.053189 0.030651 0.021798 7C 3s -0.335190 0.003350 0.017239 0.143948 -0.091396 0.117710 7C 4s 1.077887 -0.030980 0.190802 0.763258 -0.300603 -1.156599 7C 5s -0.243983 0.057567 0.013020 -0.097751 -0.183083 -0.261103 7C 1pz -0.002096 -0.009374 -0.005374 -0.033384 -0.016991 -0.037930 7C 1px 0.006938 0.027347 -0.000715 -0.015172 -0.013361 -0.015625 7C 1py 0.000757 0.003526 -0.004232 -0.024607 -0.015490 -0.030187 7C 2pz 0.365949 -0.133379 -0.131719 -0.612591 0.802781 0.873613 7C 2px 0.070256 0.328145 0.005835 -0.061894 0.158037 0.131955 7C 2py 0.247911 0.048010 -0.087280 -0.416124 0.560010 0.596797 7C 3pz -0.751893 0.152724 0.142694 0.646147 -0.042455 -0.759244 7C 3px -0.136710 -0.246820 0.042786 0.158430 -0.049975 -0.150240 7C 3py -0.511554 0.004657 0.010535 0.468013 -0.030142 -0.522589 7C 1dz2 -0.002464 -0.002603 0.024348 0.117223 -0.099414 -0.102701 7C 1dxz 0.013159 0.004420 0.003125 0.027874 -0.029344 -0.028385 7C 1dyz -0.035586 0.004257 0.042572 0.231271 -0.156828 -0.169539 7C 1dx2y2 -0.025186 0.002645 -0.001316 -0.012167 0.038531 0.035541 7C 1dxy -0.021883 0.002952 0.012064 0.068418 -0.030409 -0.035776 7C 2dz2 0.068096 0.286055 -0.041844 -0.141352 0.189735 0.164987 7C 2dxz 0.019487 -0.490202 -0.052875 -0.147478 0.116500 0.140091 7C 2dyz 0.124693 0.008013 0.000647 -0.058478 0.134317 0.114827 7C 2dx2y2 -0.015057 -0.032364 0.047376 0.269985 -0.243533 -0.246516 7C 2dxy 0.037353 -0.370711 0.015456 0.107970 -0.088760 -0.083317 7C 1f0 0.036338 0.052046 0.025608 0.079802 -0.070631 -0.079598 7C 1f+1 0.062535 -0.063621 0.041086 0.184478 -0.154628 -0.167347 7C 1f-1 0.207988 0.069651 -0.008053 -0.052535 0.030817 -0.008598 7C 1f+2 -0.121183 0.034016 -0.021297 -0.119254 0.108064 0.134608 7C 1f-2 0.068819 -0.140261 -0.005416 -0.014535 0.011640 -0.000287 7C 1f+3 0.025123 0.014247 -0.008008 -0.034727 0.033284 0.028961 7C 1f-3 0.031447 0.078930 0.027142 0.168514 -0.137252 -0.143695 8C 1s -0.005616 -0.000631 0.001237 -0.000107 -0.002037 0.001859 8C 2s -0.010496 -0.000567 -0.002757 0.000730 -0.001973 0.001536 8C 3s -0.031594 -0.006878 0.094290 -0.016475 0.067872 -0.012464 8C 4s 0.538990 0.003835 -0.003058 -0.006676 -0.612782 0.370098 8C 5s -0.869165 0.168971 -0.617778 0.131443 0.409818 -1.150564 8C 1pz -0.024204 -0.006942 -0.012396 0.001583 -0.009785 0.005388 8C 1px -0.012312 0.025356 -0.007649 -0.000008 -0.001580 -0.001176 8C 1py 0.034208 0.002772 0.019683 -0.005200 0.009927 -0.001654 8C 2pz -0.097355 0.119537 -0.063730 0.019905 0.284369 -0.213295 8C 2px -0.142911 -0.219679 -0.005928 0.009986 0.076927 -0.037008 8C 2py 0.329611 -0.116048 0.094407 0.005287 -0.334355 0.209614 8C 3pz 0.084821 -0.021283 0.089248 -0.048145 -0.077519 0.177384 8C 3px 0.089604 -0.009627 0.056775 -0.015689 -0.009129 0.065425 8C 3py -0.196456 0.032647 -0.163719 0.014824 0.059895 -0.248320 8C 1dz2 -0.009683 -0.010772 0.000269 -0.002899 0.003136 -0.001256 8C 1dxz 0.020384 0.017507 -0.010122 0.003422 0.008006 -0.011793 8C 1dyz -0.052879 0.023397 0.019286 -0.004129 -0.009438 0.020723 8C 1dx2y2 -0.037038 0.025215 0.020354 -0.002314 -0.012434 0.018735 8C 1dxy -0.031058 -0.030193 0.014323 -0.003149 -0.006414 0.013960 8C 2dz2 -0.034624 -0.048219 -0.027329 0.005624 0.027275 -0.019430 8C 2dxz 0.013203 0.069679 0.033862 -0.000378 -0.068995 0.055829 8C 2dyz -0.126420 0.101694 0.063366 -0.018991 -0.010709 0.034190 8C 2dx2y2 -0.026090 0.114818 -0.026230 0.003003 0.113593 -0.087991 8C 2dxy -0.029537 -0.135788 -0.043451 0.010313 0.098528 -0.085081 8C 1f0 0.005363 -0.008077 0.002988 -0.000859 -0.023931 0.019346 8C 1f+1 -0.012595 0.023570 0.041985 -0.008487 -0.040453 0.042041 8C 1f-1 0.004918 -0.046191 -0.002760 0.001929 0.008959 -0.007108 8C 1f+2 0.030587 -0.046017 -0.043969 0.007053 0.010037 -0.018784 8C 1f-2 0.031058 0.064506 -0.072462 0.012487 0.044329 -0.053486 8C 1f+3 -0.024247 -0.059324 0.065030 -0.014821 -0.045156 0.050504 8C 1f-3 0.020026 -0.086792 -0.064346 0.010608 0.053008 -0.055765 9C 1s 0.006293 0.001431 0.000222 0.001319 -0.001978 -0.001886 9C 2s 0.011709 0.001659 -0.000517 -0.002628 -0.001882 -0.001579 9C 3s 0.031646 0.020751 0.016241 0.094052 0.070165 0.012887 9C 4s -0.583971 -0.100571 0.008990 -0.008305 -0.618148 -0.361995 9C 5s 0.936696 -0.145554 -0.111005 -0.618529 0.398955 1.147122 9C 1pz 0.040102 0.008408 -0.004348 -0.019116 -0.010971 -0.002983 9C 1px 0.004361 -0.026722 -0.001466 -0.004870 0.000151 0.002869 9C 1py 0.028267 -0.005004 -0.001161 -0.013607 -0.008559 -0.003243 9C 2pz 0.326088 -0.134712 -0.009270 -0.097524 0.351008 0.226917 9C 2px 0.144739 0.252854 0.015588 0.031585 -0.002553 -0.037470 9C 2py 0.186207 0.013093 -0.025215 -0.051107 0.257434 0.172042 9C 3pz -0.205769 0.029262 0.011515 0.166500 -0.072713 -0.258191 9C 3px -0.074294 0.000027 -0.003790 0.020240 0.032642 -0.006236 9C 3py -0.129770 0.017601 0.046310 0.099829 -0.058871 -0.171297 9C 1dz2 -0.042835 0.025457 -0.003868 -0.017171 0.009410 0.015808 9C 1dxz -0.018303 -0.037657 -0.001731 -0.010202 0.006791 0.009895 9C 1dyz -0.064658 0.006773 -0.004178 -0.024696 0.010738 0.024222 9C 1dx2y2 0.022213 -0.002059 0.002391 0.012053 -0.010940 -0.014386 9C 1dxy -0.012482 -0.028252 -0.003177 -0.001667 -0.000564 0.002323 9C 2dz2 -0.060505 0.121269 0.002716 -0.003354 -0.057233 -0.037187 9C 2dxz 0.014399 -0.158066 0.017612 0.086945 -0.134912 -0.117066 9C 2dyz -0.124058 0.039908 -0.009671 -0.037971 -0.041290 -0.014129 9C 2dx2y2 0.001522 -0.019587 -0.002750 -0.025292 0.060988 0.050060 9C 2dxy -0.037685 -0.122545 -0.001017 0.022826 -0.027209 -0.016913 9C 1f0 0.012257 -0.066570 0.003992 0.037027 -0.022947 -0.024820 9C 1f+1 0.022964 0.062530 0.014402 0.068137 -0.056162 -0.060195 9C 1f-1 0.035041 -0.026875 0.009551 0.049575 -0.011275 -0.020544 9C 1f+2 -0.035901 0.009417 -0.013568 -0.078944 0.050711 0.058396 9C 1f-2 0.017590 0.116613 0.005447 0.023856 -0.000741 -0.009372 9C 1f+3 -0.007126 0.016780 -0.002315 -0.009534 0.008664 0.009514 9C 1f-3 0.013786 -0.037693 0.010582 0.051398 -0.049389 -0.049626 10H 1s 0.023665 0.010446 -0.012251 -0.067198 -0.054109 -0.054880 10H 2s 0.080122 -0.067469 -0.013315 -0.071349 -0.096187 -0.106083 10H 3s -0.085415 0.028949 -0.001337 -0.008444 -0.000703 -0.020139 10H 1pz 0.017743 -0.019090 0.004158 0.020415 0.021250 0.019228 10H 1px -0.021699 0.006614 0.010786 0.060094 0.054739 0.056943 10H 1py 0.010909 -0.015289 0.003175 0.017907 0.015712 0.014984 11H 1s -0.006290 -0.019081 0.003958 0.007820 0.026727 0.022833 11H 2s -0.054757 -0.051404 0.016818 0.013696 0.053632 0.047801 11H 3s -0.009515 -0.025098 -0.015540 -0.014843 -0.079911 -0.108153 11H 1pz -0.000346 -0.015930 0.002533 -0.009965 0.003691 0.002807 11H 1px -0.015997 -0.014215 0.004619 0.005342 0.022987 0.021311 11H 1py 0.009523 0.013094 -0.001120 0.001373 -0.006014 -0.003580 12H 1s 0.006592 -0.027513 -0.005975 -0.014317 -0.003485 -0.005656 12H 2s 0.013522 -0.052698 -0.000439 0.013320 0.000614 -0.010415 12H 3s -0.042062 -0.033116 0.004322 -0.023703 -0.050855 -0.083157 12H 1pz 0.005265 0.011764 0.003922 0.019272 0.016924 0.017637 12H 1px -0.006325 -0.014523 0.001085 0.010931 0.018282 0.016800 12H 1py 0.013177 -0.021981 -0.003339 -0.006205 -0.003791 -0.006807 13H 1s -0.020921 -0.012411 -0.060614 0.010154 -0.052576 0.053243 13H 2s -0.074253 0.049747 -0.059348 0.001921 -0.102938 0.107658 13H 3s 0.079658 -0.022595 -0.012989 0.000157 -0.005456 0.021957 13H 1pz -0.022710 0.014267 -0.012878 -0.000033 -0.018333 0.018788 13H 1px 0.012537 0.003122 0.050678 -0.007891 0.047507 -0.049401 13H 1py 0.011017 -0.011160 -0.032170 0.007940 -0.028709 0.029305 14H 1s -0.008352 0.023106 -0.023641 0.008488 -0.012256 0.014454 14H 2s -0.032637 0.030895 0.006788 -0.000662 -0.017637 0.027826 14H 3s 0.050396 0.036237 -0.022772 -0.001737 -0.041931 0.073789 14H 1pz -0.016953 0.002963 -0.007906 0.002357 -0.011830 0.013498 14H 1px -0.006377 0.019086 -0.000043 0.001686 0.005543 -0.002775 14H 1py 0.003354 0.009395 -0.028542 0.004912 -0.028446 0.027868 15H 1s 0.009209 0.011504 0.011090 -0.004106 0.033628 -0.029206 15H 2s 0.067821 0.037852 0.004937 -0.019666 0.062313 -0.061318 15H 3s 0.005286 0.020504 -0.008167 0.017042 -0.085626 0.112150 15H 1pz -0.018115 -0.011393 -0.004741 0.004174 -0.021439 0.018804 15H 1px 0.006667 -0.000915 0.002208 -0.001708 0.011997 -0.012240 15H 1py -0.008825 -0.013311 0.012597 0.004306 -0.009449 0.009571 16H 1s 0.007066 -0.002404 -0.006640 0.015201 0.013513 -0.015447 16H 2s -0.033230 0.030764 0.026280 -0.121575 -0.095297 -0.006317 16H 3s -0.010418 -0.005804 0.005020 0.007837 0.046670 0.004018 16H 1pz -0.002679 0.008226 0.012613 -0.015967 -0.015253 -0.015810 16H 1px 0.011478 -0.010942 -0.003999 -0.022405 0.010309 -0.000772 16H 1py -0.006826 0.007463 -0.017984 -0.007725 0.008364 -0.005334 17H 1s -0.004019 0.001577 -0.010537 0.012272 0.011958 0.014889 17H 2s 0.028803 -0.030976 0.091018 -0.062196 -0.090792 0.002509 17H 3s 0.011170 0.001351 -0.003907 0.004295 0.049935 -0.005696 17H 1pz 0.004355 -0.000139 -0.021016 0.016555 0.007716 -0.009029 17H 1px -0.010155 0.012085 0.014211 0.013634 0.018983 -0.008252 17H 1py 0.006065 -0.007474 0.013460 0.016032 0.008254 0.008442 18H 1s -0.003686 -0.001329 0.010235 -0.012382 0.011997 0.014579 18H 2s 0.027776 0.029787 -0.089040 0.061416 -0.090006 0.002524 18H 3s 0.010849 -0.001346 0.003966 -0.004139 0.049965 -0.005607 18H 1pz -0.004011 0.000083 -0.021264 0.015938 -0.007617 0.008996 18H 1px 0.010246 0.011869 0.014633 0.014185 -0.018696 0.007965 18H 1py -0.005789 -0.007241 0.012703 0.016939 -0.008861 -0.008220 19H 1s 0.007277 0.002592 0.006368 -0.015103 0.013457 -0.015492 19H 2s -0.033629 -0.031196 -0.025832 0.122084 -0.095883 -0.006371 19H 3s -0.010374 0.005865 -0.005048 -0.007781 0.046805 0.004078 19H 1pz 0.002338 0.008028 0.012548 -0.015742 0.015402 0.015806 19H 1px -0.011424 -0.010980 -0.003080 -0.022316 -0.010480 0.000622 19H 1py 0.006950 0.007461 -0.017320 -0.008993 -0.007684 0.005568 20H 1s 0.009079 -0.011886 -0.010769 0.004005 0.033290 -0.028810 20H 2s 0.066700 -0.038925 -0.005213 0.019365 0.061740 -0.060281 20H 3s 0.005596 -0.021278 0.008406 -0.016911 -0.085604 0.111914 20H 1pz 0.017895 -0.011770 -0.004519 0.004080 0.021116 -0.018375 20H 1px -0.006868 -0.000632 0.002431 -0.001759 -0.012434 0.012622 20H 1py 0.008472 -0.013593 0.012453 0.004210 0.009254 -0.009289 21H 1s -0.007964 -0.023168 0.023025 -0.008398 -0.011516 0.013700 21H 2s -0.031361 -0.031961 -0.007531 0.000621 -0.016275 0.026315 21H 3s 0.049646 -0.036482 0.022927 0.001834 -0.042709 0.074889 21H 1pz 0.016756 0.003392 -0.007987 0.002407 0.011797 -0.013428 21H 1px 0.005873 0.019319 0.000342 0.001682 -0.006148 0.003418 21H 1py -0.003426 0.009391 -0.027941 0.004776 0.027878 -0.027303 22H 1s -0.021010 0.012324 0.060863 -0.010126 -0.052949 0.053549 22H 2s -0.074276 -0.050670 0.059915 -0.002033 -0.103849 0.108113 22H 3s 0.079469 0.022349 0.012993 0.000007 -0.004819 0.021769 22H 1pz 0.022488 0.014424 -0.012582 -0.000089 0.018058 -0.018399 22H 1px -0.012732 0.002856 0.051187 -0.007993 -0.048200 0.050002 22H 1py -0.011145 -0.011443 -0.031934 0.007942 0.028454 -0.029087 23H 1s 0.006115 0.027425 0.005796 0.013217 -0.002123 -0.004305 23H 2s 0.010743 0.054113 0.000688 -0.014303 0.003075 -0.007758 23H 3s -0.040505 0.033312 -0.004775 0.023581 -0.052119 -0.084829 23H 1pz -0.005473 0.011662 0.003702 0.018105 -0.015778 -0.016514 23H 1px 0.006762 -0.014141 0.001104 0.011193 -0.018691 -0.017266 23H 1py -0.012311 -0.022710 -0.003454 -0.005909 0.002938 0.005913 24H 1s -0.005769 0.019733 -0.003840 -0.007057 0.025791 0.021940 24H 2s -0.051881 0.052850 -0.016501 -0.014488 0.052042 0.045790 24H 3s -0.010741 0.025908 0.015356 0.015209 -0.079275 -0.107818 24H 1pz -0.000474 -0.016074 0.002436 -0.009549 -0.003361 -0.002415 24H 1px 0.015654 -0.015116 0.004611 0.005512 -0.022993 -0.021215 24H 1py -0.008807 0.013221 -0.000919 0.002092 0.004809 0.002393 25H 1s 0.023775 -0.010307 0.012270 0.067738 -0.054587 -0.055250 25H 2s 0.080420 0.068621 0.013524 0.072198 -0.096903 -0.106832 25H 3s -0.085867 -0.028841 0.001260 0.008232 -0.000269 -0.019708 25H 1pz -0.018045 -0.019532 0.004039 0.019785 -0.020722 -0.018680 25H 1px 0.021762 0.006962 0.010805 0.060341 -0.055009 -0.057170 25H 1py -0.010471 -0.015084 0.003361 0.019013 -0.016916 -0.016197 26O 1s 0.006594 -0.003647 0.000262 0.001912 0.000268 -0.000833 26O 2s 0.020779 -0.011571 0.001123 0.007678 0.001756 -0.001173 26O 3s -0.179331 0.114243 -0.027643 -0.162744 -0.078958 -0.063447 26O 4s 0.330288 -0.323842 0.115388 0.640920 0.368495 0.387682 26O 5s -0.683942 -0.295233 0.016810 0.022625 0.499707 0.337284 26O 1pz -0.009363 0.020990 -0.005543 -0.023718 -0.040032 -0.033361 26O 1px 0.061388 -0.055116 0.011332 0.070719 0.028714 0.014422 26O 1py 0.017701 -0.008096 0.004516 0.012130 -0.014387 -0.015645 26O 2pz 0.046295 -0.028477 0.006643 0.020257 0.057180 0.038453 26O 2px -0.066909 0.243896 -0.085575 -0.482474 -0.343821 -0.329676 26O 2py 0.000599 0.074855 -0.035984 -0.167942 -0.090502 -0.097046 26O 3pz -0.182738 -0.277657 -0.043200 -0.007108 0.169783 0.082020 26O 3px 0.169814 0.068416 -0.004542 0.170503 0.060173 -0.094045 26O 3py -0.048721 -0.149967 0.049987 0.048972 0.119946 0.013673 26O 1dz2 -0.030334 0.018586 0.000952 -0.048514 -0.009415 0.001975 26O 1dxz -0.058487 0.005399 -0.023681 -0.139637 -0.106454 -0.109732 26O 1dyz 0.001804 0.008761 -0.017543 -0.066698 -0.022822 -0.003929 26O 1dx2y2 0.079132 -0.024595 0.026393 0.108127 0.066608 0.064952 26O 1dxy 0.029323 -0.011993 -0.005268 -0.022173 -0.024244 -0.022088 26O 2dz2 0.012495 0.016852 -0.021134 -0.078885 -0.055289 -0.066237 26O 2dxz -0.008119 -0.008387 0.000325 0.015429 0.011735 0.020212 26O 2dyz -0.002198 0.009113 0.000537 -0.011233 -0.005644 -0.007167 26O 2dx2y2 -0.012712 -0.008999 0.014252 0.090662 0.063555 0.070907 26O 2dxy -0.015153 -0.010295 0.014089 0.083437 0.058333 0.070829 26O 1f0 -0.064065 -0.053020 -0.004590 -0.188179 -0.144310 -0.140018 26O 1f+1 -0.063459 -0.081249 0.055563 0.181428 0.154081 0.152893 26O 1f-1 -0.060645 -0.163543 0.006249 0.028567 0.070324 0.076926 26O 1f+2 0.250403 0.247929 0.051844 0.173792 0.067554 0.037180 26O 1f-2 -0.155347 -0.171104 0.021753 0.159941 0.206203 0.233348 26O 1f+3 0.126863 0.065036 0.058062 0.256124 0.178482 0.159933 26O 1f-3 0.123732 0.085440 -0.003128 0.124469 0.023876 -0.005543 27O 1s -0.005803 0.003188 0.002150 -0.000400 0.000516 0.000748 27O 2s -0.018206 0.010317 0.008512 -0.001512 0.002616 0.000740 27O 3s 0.155189 -0.106478 -0.171900 0.029647 -0.088726 0.071345 27O 4s -0.280959 0.316071 0.661043 -0.116626 0.384590 -0.411657 27O 5s 0.627654 0.310801 0.072566 -0.014400 0.419700 -0.352333 27O 1pz 0.011373 -0.016595 -0.024830 0.002326 -0.027848 0.022536 27O 1px -0.055846 0.051024 0.072782 -0.013849 0.022413 -0.011593 27O 1py -0.002261 0.010806 0.014869 -0.006118 0.033766 -0.027326 27O 2pz -0.031608 0.038714 0.075636 -0.010114 0.074726 -0.062420 27O 2px 0.050280 -0.252671 -0.515073 0.090062 -0.340896 0.356793 27O 2py 0.037489 0.010022 0.037361 0.005452 -0.007968 -0.018037 27O 3pz 0.122193 0.175249 -0.029970 -0.052039 0.062347 -0.061389 27O 3px -0.141013 -0.042250 0.135317 -0.017413 0.073971 0.097110 27O 3py -0.136146 -0.244457 -0.004180 -0.039395 -0.126202 0.064280 27O 1dz2 0.038679 -0.007845 -0.015671 0.010190 -0.012481 0.011381 27O 1dxz 0.049911 -0.005429 -0.117360 0.026217 -0.082827 0.081178 27O 1dyz 0.021742 0.007296 0.011511 -0.007521 -0.017011 0.036933 27O 1dx2y2 -0.063645 0.025292 0.092566 -0.009189 0.041948 -0.033265 27O 1dxy -0.031679 0.001447 0.128309 -0.027770 0.088916 -0.087627 27O 2dz2 -0.013235 -0.010480 -0.068798 0.004670 -0.048531 0.060296 27O 2dxz 0.000757 0.001055 -0.018152 0.002849 -0.009923 0.008797 27O 2dyz 0.002513 0.013135 0.017971 -0.000440 0.011200 -0.017447 27O 2dx2y2 0.017480 0.024145 0.125406 -0.025520 0.087212 -0.105510 27O 2dxy -0.015287 -0.009695 -0.039777 0.003752 -0.034115 0.045866 27O 1f0 0.059708 -0.018326 -0.167755 0.040178 -0.149997 0.144777 27O 1f+1 -0.099270 -0.079856 0.114019 0.009423 0.033843 -0.009948 27O 1f-1 0.034481 0.022590 0.044555 -0.035335 0.056072 -0.062919 27O 1f+2 -0.144931 -0.185617 0.209453 -0.048514 0.108562 -0.085623 27O 1f-2 -0.263086 -0.279633 -0.012836 -0.005276 -0.104648 0.150878 27O 1f+3 -0.007221 0.064097 0.279012 -0.058509 0.232395 -0.218756 27O 1f-3 -0.056565 -0.056652 0.183971 -0.011055 0.151615 -0.161376 28O 1s 0.006479 0.003800 0.000443 0.001774 0.000473 -0.000782 28O 2s 0.020358 0.012211 0.001818 0.007297 0.002510 -0.000762 28O 3s -0.174580 -0.123894 -0.037549 -0.159777 -0.088095 -0.072409 28O 4s 0.321448 0.357783 0.144582 0.623714 0.372050 0.404577 28O 5s -0.679405 0.251462 0.046040 0.110065 0.401504 0.335675 28O 1pz 0.026948 0.017502 0.003099 0.022124 -0.015645 -0.013539 28O 1px -0.055746 -0.058941 -0.014610 -0.069456 -0.036423 -0.023667 28O 1py -0.005257 -0.011627 0.000437 -0.014740 -0.023681 -0.017303 28O 2pz 0.003626 -0.133693 -0.059357 -0.273986 -0.156494 -0.193869 28O 2px 0.072312 0.240139 0.095206 0.427082 0.300118 0.303101 28O 2py 0.031674 0.007457 -0.009678 0.001237 0.019381 -0.003162 28O 3pz -0.056546 0.220042 -0.031263 0.051210 0.127218 0.018410 28O 3px -0.206785 0.139025 -0.028005 -0.105086 -0.008776 0.121688 28O 3py -0.113854 0.181030 0.051568 -0.021315 0.088736 0.058088 28O 1dz2 -0.038634 -0.011681 -0.012126 -0.114705 -0.073856 -0.069083 28O 1dxz -0.041279 -0.025381 -0.001117 -0.016511 0.002904 0.011059 28O 1dyz 0.003280 -0.013090 -0.017744 -0.071972 -0.026767 -0.011698 28O 1dx2y2 0.078502 0.021939 0.028593 0.112858 0.075793 0.075593 28O 1dxy 0.043695 -0.001099 0.013456 0.072235 0.061833 0.069678 28O 2dz2 -0.006113 -0.000997 -0.003665 0.003129 0.007145 0.012169 28O 2dxz 0.023050 -0.023802 -0.031308 -0.124823 -0.090537 -0.114156 28O 2dyz -0.005189 -0.007509 0.003026 -0.003062 0.004029 0.004775 28O 2dx2y2 -0.009255 0.009550 0.013057 0.079485 0.052518 0.061935 28O 2dxy 0.008349 -0.013097 -0.004191 -0.017765 -0.015742 -0.024874 28O 1f0 -0.002696 0.034216 0.063614 0.180054 0.151093 0.149874 28O 1f+1 -0.072491 0.063456 -0.008312 -0.161440 -0.128066 -0.130423 28O 1f-1 -0.229193 0.304220 0.013264 0.038706 0.132819 0.174331 28O 1f+2 -0.041808 -0.033735 -0.026133 -0.218300 -0.167366 -0.148612 28O 1f-2 0.050937 -0.017208 -0.030844 -0.134728 -0.117966 -0.130027 28O 1f+3 -0.156957 0.125760 -0.034266 -0.244978 -0.150496 -0.121366 28O 1f-3 -0.214231 0.161654 -0.045499 -0.118774 -0.051416 -0.024014 29O 1s 0.000003 0.000009 0.000379 -0.000937 -0.003457 0.000005 29O 2s -0.000015 0.000028 0.001103 -0.002787 -0.010614 0.000026 29O 3s 0.000436 -0.000314 -0.008522 0.024126 0.104815 -0.000532 29O 4s -0.000371 0.000879 0.023188 -0.066883 -0.267649 0.000652 29O 5s -0.003132 -0.001590 -0.102235 0.217983 0.477349 0.005618 29O 1pz -0.001627 -0.002393 -0.003003 -0.001043 0.007305 0.007318 29O 1px 0.000049 -0.001013 0.000816 -0.003099 -0.017671 0.002735 29O 1py -0.000310 -0.000257 0.002729 -0.001610 0.005565 -0.000042 29O 2pz -0.004769 0.020485 0.010136 -0.004229 -0.027144 -0.034666 29O 2px -0.003202 0.007874 -0.009707 0.020409 0.067748 -0.012379 29O 2py 0.001741 -0.000493 -0.003561 -0.002871 -0.023317 0.001157 29O 3pz -0.034488 0.013757 -0.064701 -0.073284 0.055241 0.013223 29O 3px -0.009478 0.008861 -0.038232 -0.038518 -0.186244 0.005067 29O 3py 0.002946 -0.006467 0.089370 -0.105810 -0.064273 -0.002894 29O 1dz2 -0.004735 0.003609 0.002217 -0.012005 -0.002437 0.007821 29O 1dxz 0.001227 -0.004385 0.009134 0.006299 0.000366 0.000346 29O 1dyz -0.003351 -0.002196 0.015256 0.001155 -0.003628 0.023657 29O 1dx2y2 0.001713 -0.001371 0.007377 -0.000374 0.010758 0.001795 29O 1dxy -0.002122 -0.000239 -0.015826 0.023928 0.008529 0.012019 29O 2dz2 0.002789 -0.005038 0.004111 0.006173 0.004104 0.004976 29O 2dxz -0.001055 0.003719 -0.006625 -0.006285 0.004556 -0.007316 29O 2dyz 0.005796 -0.008552 -0.005090 0.003123 0.002596 0.004508 29O 2dx2y2 -0.000264 0.000725 -0.002545 -0.003495 -0.009635 -0.002926 29O 2dxy 0.002947 -0.003985 0.008441 -0.010486 -0.007382 0.001039 29O 1f0 -0.016940 0.009751 -0.014417 -0.008767 0.018643 0.003047 29O 1f+1 -0.019823 0.020345 0.022312 0.019999 -0.018258 -0.003246 29O 1f-1 0.008810 -0.007465 -0.010050 0.009105 -0.013355 -0.006006 29O 1f+2 -0.000811 -0.001903 -0.047406 -0.027728 -0.019561 0.005783 29O 1f-2 -0.001242 0.006678 -0.000188 0.029539 -0.014332 0.006323 29O 1f+3 -0.001372 0.004380 0.008165 0.032507 0.001142 -0.001982 29O 1f-3 0.001061 -0.004409 -0.027318 0.003634 -0.017089 -0.000480 30O 1s -0.005851 -0.003753 0.001913 -0.000362 0.000413 0.000662 30O 2s -0.018332 -0.012076 0.007731 -0.001515 0.002388 0.000413 30O 3s 0.155927 0.122968 -0.164045 0.032521 -0.089555 0.075661 30O 4s -0.284513 -0.352500 0.634248 -0.121446 0.391325 -0.414700 30O 5s 0.648574 -0.252832 0.041480 -0.003146 0.514789 -0.337343 30O 1pz -0.021708 -0.016542 0.021776 -0.007531 -0.006115 0.007399 30O 1px 0.048104 0.058267 -0.068519 0.012163 -0.044362 0.029215 30O 1py 0.016346 0.008883 -0.014535 0.002132 0.018188 -0.017533 30O 2pz 0.004461 0.107897 -0.220827 0.052688 -0.145454 0.153227 30O 2px -0.062019 -0.227350 0.398491 -0.073873 0.317151 -0.294861 30O 2py 0.017536 -0.097350 0.214471 -0.041534 0.130270 -0.146193 30O 3pz 0.005259 -0.105603 0.037437 -0.071961 0.111470 0.005042 30O 3px 0.220072 -0.179758 -0.134066 0.031468 0.051163 -0.132102 30O 3py -0.064994 0.207070 -0.032842 -0.026489 -0.156367 0.030257 30O 1dz2 0.040159 0.006860 -0.054579 0.016655 -0.044239 0.055535 30O 1dxz 0.044297 0.020585 -0.048424 0.014797 -0.018382 0.015512 30O 1dyz 0.013537 0.000018 0.063593 -0.014120 0.028094 -0.015885 30O 1dx2y2 -0.074550 -0.023082 0.163600 -0.024857 0.110665 -0.106518 30O 1dxy -0.011736 -0.020772 0.008980 -0.003097 -0.020188 0.032282 30O 2dz2 -0.004031 -0.000766 -0.020994 -0.001641 -0.016712 0.014938 30O 2dxz -0.013629 0.015927 -0.092967 0.015785 -0.068716 0.079116 30O 2dyz -0.012179 0.001362 -0.044404 0.014485 -0.037349 0.044940 30O 2dx2y2 0.001580 -0.004758 0.040210 -0.009609 0.026637 -0.024795 30O 2dxy 0.018484 -0.024039 0.100140 -0.021586 0.075337 -0.091618 30O 1f0 -0.182128 0.200098 0.139030 -0.021337 0.011658 0.025919 30O 1f+1 0.137947 -0.097252 -0.114168 0.048469 -0.058652 0.042287 30O 1f-1 -0.077042 0.080039 -0.054841 -0.016107 -0.084968 0.096433 30O 1f+2 -0.024863 0.118879 -0.252745 0.034856 -0.248846 0.257014 30O 1f-2 0.065337 0.003179 -0.043669 0.004754 -0.003074 -0.017737 30O 1f+3 0.192129 -0.179504 -0.255281 0.043209 -0.142491 0.117036 30O 1f-3 -0.072311 0.097088 -0.197467 0.061765 -0.178809 0.187973 31O 1s -0.005854 0.003763 -0.001908 0.000357 0.000405 0.000655 31O 2s -0.018338 0.012107 -0.007715 0.001500 0.002359 0.000390 31O 3s 0.155981 -0.123177 0.163836 -0.032315 -0.089149 0.075904 31O 4s -0.284632 0.352727 -0.633496 0.120824 0.389824 -0.415268 31O 5s 0.647630 0.249968 -0.041308 0.001500 0.514894 -0.334949 31O 1pz 0.021741 -0.016624 0.021854 -0.007608 0.006031 -0.007365 31O 1px -0.048180 0.058292 -0.068530 0.012217 0.044431 -0.029186 31O 1py -0.016334 0.008922 -0.014598 0.002186 -0.018184 0.017565 31O 2pz -0.004635 0.107864 -0.221056 0.052814 0.145556 -0.153318 31O 2px 0.062283 -0.227119 0.398350 -0.073783 -0.316945 0.294673 31O 2py -0.017416 -0.097188 0.214600 -0.041578 -0.130080 0.145986 31O 3pz -0.004553 -0.106246 0.038398 -0.072792 -0.112520 -0.004798 31O 3px -0.219900 -0.179047 -0.134543 0.032404 -0.050775 0.131596 31O 3py 0.064319 0.207620 -0.034140 -0.025498 0.157940 -0.030359 31O 1dz2 0.040078 -0.006896 0.054446 -0.016637 -0.044176 0.055587 31O 1dxz 0.044333 -0.020761 0.048468 -0.014742 -0.018389 0.015583 31O 1dyz 0.013487 -0.000057 -0.063540 0.014078 0.028074 -0.015861 31O 1dx2y2 -0.074537 0.023191 -0.163446 0.024900 0.110644 -0.106567 31O 1dxy -0.011809 0.020832 -0.008938 0.003098 -0.020270 0.032380 31O 2dz2 -0.004044 0.000791 0.020915 0.001661 -0.016647 0.014856 31O 2dxz -0.013625 -0.015818 0.092969 -0.015731 -0.068659 0.079125 31O 2dyz -0.012156 -0.001293 0.044408 -0.014415 -0.037279 0.044945 31O 2dx2y2 0.001626 0.004726 -0.040205 0.009564 0.026637 -0.024782 31O 2dxy 0.018435 0.023955 -0.100070 0.021525 0.075173 -0.091567 31O 1f0 0.181752 0.200129 0.139124 -0.021390 -0.011812 -0.025978 31O 1f+1 -0.137476 -0.097087 -0.113818 0.048392 0.058455 -0.042221 31O 1f-1 0.076776 0.079782 -0.054758 -0.016106 0.084903 -0.096261 31O 1f+2 0.024462 0.118832 -0.252870 0.035007 0.249141 -0.257172 31O 1f-2 -0.065260 0.003314 -0.043722 0.004851 0.003210 0.017667 31O 1f+3 -0.191570 -0.179444 -0.255178 0.043164 0.142601 -0.117096 31O 1f-3 0.072118 0.097218 -0.197225 0.061877 0.178883 -0.187907 32O 1s -0.000012 -0.000018 -0.000365 0.000941 -0.003460 0.000011 32O 2s -0.000062 -0.000057 -0.001061 0.002798 -0.010624 0.000047 32O 3s 0.000896 0.000568 0.008255 -0.024176 0.104928 -0.000808 32O 4s -0.001413 -0.001486 -0.022733 0.066813 -0.267977 0.001227 32O 5s -0.001318 0.003352 0.099828 -0.217924 0.477763 0.005630 32O 1pz 0.001597 -0.002366 -0.003029 -0.001025 -0.007216 -0.007283 32O 1px -0.000085 -0.001029 0.000905 -0.003063 0.017701 -0.002673 32O 1py 0.000457 -0.000304 0.002756 -0.001624 -0.005531 -0.000216 32O 2pz 0.004822 0.020333 0.009993 -0.004045 0.026857 0.034520 32O 2px 0.003201 0.007682 -0.009706 0.020423 -0.067824 0.012010 32O 2py -0.001907 0.000088 -0.004023 -0.003056 0.023210 0.000074 32O 3pz 0.034177 0.013657 -0.064706 -0.072975 -0.055275 -0.013151 32O 3px 0.009033 0.008875 -0.038537 -0.038492 0.186500 -0.004692 32O 3py -0.001438 -0.005476 0.087833 -0.106456 0.064362 0.002503 32O 1dz2 -0.004882 -0.003848 -0.001957 0.011854 -0.002377 0.007536 32O 1dxz 0.001190 0.004260 -0.009273 -0.006165 0.000376 0.000195 32O 1dyz -0.003426 0.002150 -0.015538 -0.001127 -0.003281 0.023728 32O 1dx2y2 0.001565 0.001164 -0.007224 0.000857 0.010835 0.001581 32O 1dxy -0.001989 0.000382 0.016058 -0.023607 0.008578 0.011802 32O 2dz2 0.002662 0.004718 -0.004288 -0.006217 0.004184 0.004483 32O 2dxz -0.001131 -0.003812 0.006503 0.006279 0.004490 -0.007458 32O 2dyz 0.005821 0.008599 0.005041 -0.003065 0.002657 0.004607 32O 2dx2y2 -0.000309 -0.000912 0.002580 0.003424 -0.009632 -0.003215 32O 2dxy 0.002888 0.003796 -0.008323 0.010563 -0.007307 0.000729 32O 1f0 0.017905 0.010067 -0.012739 -0.009404 -0.018696 -0.003678 32O 1f+1 0.018950 0.019825 0.021350 0.019353 0.018201 0.003783 32O 1f-1 -0.008032 -0.006755 -0.012402 0.007666 0.013133 0.005941 32O 1f+2 0.000770 -0.002034 -0.047277 -0.030119 0.019521 -0.005751 32O 1f-2 0.001841 0.007221 -0.000868 0.028955 0.015178 -0.006244 32O 1f+3 0.002286 0.004575 0.008257 0.033309 -0.001056 0.001012 32O 1f-3 -0.001097 -0.004102 -0.026361 0.004412 0.016774 0.000644 33O 1s 0.006472 -0.003801 -0.000441 -0.001774 0.000468 -0.000785 33O 2s 0.020336 -0.012213 -0.001810 -0.007293 0.002493 -0.000769 33O 3s -0.174355 0.123825 0.037429 0.159675 -0.087936 -0.072422 33O 4s 0.320890 -0.357285 -0.143980 -0.623352 0.371689 0.404819 33O 5s -0.680284 -0.248907 -0.047666 -0.108198 0.400359 0.335753 33O 1pz -0.026863 0.017486 0.003102 0.021982 0.015663 0.013484 33O 1px 0.055626 -0.058922 -0.014606 -0.069308 0.036419 0.023631 33O 1py 0.005221 -0.011519 0.000481 -0.014685 0.023657 0.017290 33O 2pz -0.003889 -0.133256 -0.059274 -0.272956 0.156159 0.193946 33O 2px -0.071766 0.239669 0.095177 0.426548 -0.300206 -0.303337 33O 2py -0.031732 0.007162 -0.009949 0.000795 -0.018963 0.003575 33O 3pz 0.056871 0.221063 -0.031210 0.049998 -0.127729 -0.018880 33O 3px 0.206840 0.138295 -0.027766 -0.105009 0.009537 -0.121752 33O 3py 0.114229 0.181856 0.052204 -0.022485 -0.089042 -0.058259 33O 1dz2 -0.038718 0.011612 0.012112 0.114588 -0.073719 -0.068821 33O 1dxz -0.041159 0.025311 0.001160 0.016295 0.003006 0.011135 33O 1dyz 0.003367 0.013299 0.017552 0.071977 -0.026928 -0.011937 33O 1dx2y2 0.078389 -0.022195 -0.028525 -0.112776 0.075879 0.075673 33O 1dxy 0.043764 0.001223 -0.013384 -0.072079 0.061827 0.069778 33O 2dz2 -0.006081 0.000948 0.003712 -0.002865 0.006981 0.012042 33O 2dxz 0.023096 0.023618 0.031258 0.124557 -0.090425 -0.114181 33O 2dyz -0.005195 0.007544 -0.003090 0.002865 0.004184 0.004954 33O 2dx2y2 -0.009293 -0.009448 -0.013067 -0.079522 0.052575 0.062034 33O 2dxy 0.008446 0.013095 0.004274 0.017981 -0.015911 -0.025072 33O 1f0 0.001993 0.033475 0.063409 0.179282 -0.150467 -0.149027 33O 1f+1 0.073049 0.063466 -0.008315 -0.162031 0.128342 0.130447 33O 1f-1 0.230115 0.304714 0.013353 0.038296 -0.132841 -0.174439 33O 1f+2 0.041419 -0.034455 -0.026183 -0.217928 0.167582 0.148885 33O 1f-2 -0.051488 -0.017751 -0.030637 -0.134257 0.118144 0.130359 33O 1f+3 0.156931 0.125721 -0.034266 -0.245238 0.151034 0.121746 33O 1f-3 0.214823 0.162211 -0.045234 -0.118415 0.051263 0.023922 34O 1s -0.005791 -0.003180 -0.002151 0.000404 0.000506 0.000743 34O 2s -0.018170 -0.010294 -0.008511 0.001527 0.002580 0.000726 34O 3s 0.154931 0.106346 0.171809 -0.029821 -0.088273 0.071423 34O 4s -0.280557 -0.316160 -0.660730 0.117224 0.383246 -0.411972 34O 5s 0.626440 -0.312904 -0.070251 0.012706 0.420357 -0.349039 34O 1pz -0.011340 -0.016545 -0.024852 0.002326 0.027893 -0.022541 34O 1px 0.055755 0.051007 0.072640 -0.013759 -0.022469 0.011477 34O 1py 0.002203 0.010764 0.014905 -0.006168 -0.033814 0.027433 34O 2pz 0.031521 0.038588 0.075862 -0.010155 -0.074916 0.062578 34O 2px -0.050335 -0.253043 -0.514223 0.089817 0.340815 -0.356107 34O 2py -0.037304 0.010340 0.037104 0.005692 0.008122 0.017598 34O 3pz -0.122222 0.175941 -0.030692 -0.051835 -0.062468 0.060949 34O 3px 0.140507 -0.042900 0.135062 -0.016891 -0.075149 -0.096459 34O 3py 0.136403 -0.244944 -0.003457 -0.040651 0.126918 -0.063572 34O 1dz2 0.038579 0.007826 0.015580 -0.010095 -0.012416 0.011313 34O 1dxz 0.049891 0.005417 0.117338 -0.026134 -0.082817 0.081208 34O 1dyz 0.021734 -0.007348 -0.011493 0.007563 -0.017069 0.036913 34O 1dx2y2 -0.063537 -0.025283 -0.092567 0.009292 0.042007 -0.033246 34O 1dxy -0.031619 -0.001513 -0.128317 0.027839 0.089001 -0.087699 34O 2dz2 -0.013144 0.010540 0.068693 -0.004681 -0.048465 0.060170 34O 2dxz 0.000797 -0.001053 0.018244 -0.002887 -0.009973 0.008817 34O 2dyz 0.002546 -0.013178 -0.017994 0.000449 0.011222 -0.017468 34O 2dx2y2 0.017344 -0.024249 -0.125267 0.025539 0.087139 -0.105364 34O 2dxy -0.015255 0.009782 0.039673 -0.003705 -0.034027 0.045770 34O 1f0 -0.059639 -0.018213 -0.167636 0.040104 0.149978 -0.144747 34O 1f+1 0.099311 -0.079988 0.113762 0.009355 -0.033798 0.009686 34O 1f-1 -0.034662 0.022941 0.044589 -0.035378 -0.056200 0.063113 34O 1f+2 0.145477 -0.186124 0.209535 -0.048622 -0.108677 0.085579 34O 1f-2 0.263503 -0.280126 -0.012684 -0.005382 0.104603 -0.150855 34O 1f+3 0.006961 0.064374 0.278932 -0.058455 -0.232656 0.218876 34O 1f-3 0.056580 -0.056697 0.183877 -0.011245 -0.151757 0.161503 35O 1s 0.006606 0.003651 -0.000259 -0.001907 0.000263 -0.000835 35O 2s 0.020817 0.011580 -0.001111 -0.007661 0.001736 -0.001182 35O 3s -0.179706 -0.114225 0.027510 0.162473 -0.078669 -0.063349 35O 4s 0.331252 0.323486 -0.114953 -0.640294 0.367680 0.387488 35O 5s -0.682712 0.294152 -0.019096 -0.020487 0.497093 0.336468 35O 1pz 0.009393 0.020912 -0.005530 -0.023653 0.040070 0.033392 35O 1px -0.061568 -0.055161 0.011295 0.070778 -0.028803 -0.014433 35O 1py -0.017673 -0.008117 0.004539 0.012132 0.014462 0.015739 35O 2pz -0.046215 -0.028250 0.006605 0.020307 -0.057567 -0.038800 35O 2px 0.067685 0.243596 -0.085556 -0.482189 0.343524 0.329517 35O 2py -0.000618 0.074765 -0.036136 -0.168050 0.090312 0.096860 35O 3pz 0.182060 -0.278191 -0.042468 -0.006238 -0.169888 -0.081576 35O 3px -0.169935 0.067780 -0.004951 0.172266 -0.061837 0.093570 35O 3py 0.048883 -0.150621 0.049966 0.049953 -0.120877 -0.013390 35O 1dz2 -0.030609 -0.018471 -0.000939 0.048524 -0.009320 0.002119 35O 1dxz -0.058511 -0.005390 0.023520 0.139619 -0.106512 -0.109643 35O 1dyz 0.001827 -0.008947 0.017499 0.066703 -0.022916 -0.004061 35O 1dx2y2 0.079221 0.024785 -0.026328 -0.108048 0.066726 0.065198 35O 1dxy 0.029327 0.012130 0.005250 0.022274 -0.024424 -0.022291 35O 2dz2 0.012467 -0.016752 0.021142 0.078782 -0.055207 -0.066260 35O 2dxz -0.008009 0.008427 -0.000303 -0.015266 0.011559 0.020054 35O 2dyz -0.002180 -0.009199 -0.000523 0.011366 -0.005775 -0.007266 35O 2dx2y2 -0.012662 0.008955 -0.014257 -0.090415 0.063399 0.070846 35O 2dxy -0.015145 0.010191 -0.014146 -0.083473 0.058286 0.070874 35O 1f0 0.063843 -0.052661 -0.004466 -0.188190 0.144553 0.140253 35O 1f+1 0.062485 -0.080710 0.055616 0.181260 -0.153944 -0.152543 35O 1f-1 0.059945 -0.163469 0.006295 0.028542 -0.070173 -0.076646 35O 1f+2 -0.250385 0.248719 0.051723 0.173338 -0.067072 -0.036642 35O 1f-2 0.155394 -0.171189 0.021773 0.160044 -0.206527 -0.233500 35O 1f+3 -0.126446 0.064806 0.057904 0.255864 -0.179023 -0.160563 35O 1f-3 -0.123140 0.084851 -0.003215 0.124762 -0.024232 0.005303 660 661 662 663 664 665 5.91856 5.97340 5.97824 5.99006 5.99061 5.99161 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s 0.000701 0.000054 -0.000149 0.000022 0.000040 -0.000220 0Rh 2s -0.001976 -0.000401 0.001312 -0.000238 -0.000241 0.001716 0Rh 3s 0.003059 0.000090 -0.000131 -0.000008 0.000099 -0.000323 0Rh 4s 0.013126 0.002530 -0.008167 0.001480 0.001554 -0.010786 0Rh 5s -0.017126 -0.006819 0.022979 -0.004476 -0.004064 0.029399 0Rh 6s -0.079305 0.007603 -0.032244 0.007809 0.003779 -0.034264 0Rh 7s 1.725889 0.002441 0.107132 -0.064807 -0.002770 0.027895 0Rh 8s -0.528716 0.003342 -0.001376 0.011831 -0.005328 -0.049665 0Rh 1pz 0.047749 -0.047320 0.071208 -0.004933 -0.032689 -0.016763 0Rh 1px -0.154422 -0.031425 0.008525 0.002169 -0.010039 -0.021308 0Rh 1py -0.030715 0.076618 0.058305 -0.003656 0.024199 -0.037902 0Rh 2pz -0.199107 0.197305 -0.296959 0.020592 0.136514 0.070042 0Rh 2px 0.643895 0.131070 -0.035505 -0.009074 0.041968 0.088888 0Rh 2py 0.128058 -0.319550 -0.243140 0.015255 -0.101093 0.158300 0Rh 3pz 0.652662 -0.643354 0.969310 -0.067677 -0.449457 -0.231477 0Rh 3px -2.109775 -0.428276 0.114725 0.030328 -0.139133 -0.290431 0Rh 3py -0.419260 1.043626 0.793340 -0.049837 0.333490 -0.521447 0Rh 4pz -0.879825 0.841573 -1.272247 0.090572 0.602257 0.313572 0Rh 4px 2.839394 0.563647 -0.145985 -0.042845 0.189848 0.380651 0Rh 4py 0.562749 -1.370340 -1.039319 0.065008 -0.448445 0.699188 0Rh 5pz 0.595398 -0.470194 0.723479 -0.056416 -0.371383 -0.203592 0Rh 5px -1.901442 -0.324804 0.070021 0.033960 -0.127195 -0.209324 0Rh 5py -0.369230 0.776784 0.584401 -0.034623 0.278670 -0.430972 0Rh 6pz -0.715118 0.124362 -0.216716 0.039726 0.460552 0.344883 0Rh 6px 2.043958 0.121809 0.039287 -0.053411 0.267986 0.056208 0Rh 6py 0.222814 -0.186433 -0.146037 0.027997 -0.341253 0.522894 0Rh 1dz2 -0.002162 -0.001240 0.002379 -0.000079 0.000309 -0.000168 0Rh 1dxz -0.002749 0.001911 -0.003826 -0.000020 -0.000543 -0.000470 0Rh 1dyz -0.000751 0.000853 0.000631 -0.000129 -0.000791 -0.001142 0Rh 1dx2y2 0.004670 0.002150 0.000303 0.000184 -0.000559 -0.000434 0Rh 1dxy 0.002110 -0.003531 -0.002116 -0.000115 0.000125 -0.001177 0Rh 2dz2 -0.000681 0.000357 -0.000865 0.000128 -0.000313 0.000234 0Rh 2dxz -0.000977 -0.000586 0.001155 0.000115 0.000425 0.000784 0Rh 2dyz -0.000064 -0.000500 -0.000384 0.000101 0.000304 0.000371 0Rh 2dx2y2 0.001203 -0.000743 0.000110 -0.000163 0.000565 -0.000503 0Rh 2dxy 0.000426 0.001030 0.000697 0.000048 -0.000247 0.000570 0Rh 3dz2 0.014587 0.004693 -0.008109 -0.000230 -0.000112 -0.000403 0Rh 3dxz 0.019076 -0.007029 0.014208 -0.000457 0.000916 -0.001417 0Rh 3dyz 0.004186 -0.001868 -0.001454 0.000168 0.002765 0.004159 0Rh 3dx2y2 -0.030261 -0.007475 -0.002108 -0.000148 0.000218 0.004917 0Rh 3dxy -0.013008 0.013289 0.007497 0.000391 0.000435 0.003653 0Rh 4dz2 -0.037534 -0.009577 0.015130 0.001242 -0.000907 0.003197 0Rh 4dxz -0.049236 0.013828 -0.028077 0.001624 -0.001847 0.007046 0Rh 4dyz -0.009994 0.001431 0.001941 0.000216 -0.006303 -0.008309 0Rh 4dx2y2 0.077130 0.013914 0.005246 -0.000549 0.001471 -0.015621 0Rh 4dxy 0.032304 -0.026718 -0.014267 -0.000885 -0.001029 -0.008767 0Rh 5dz2 0.053729 0.016259 -0.014194 -0.004544 0.003846 -0.017837 0Rh 5dxz 0.071738 -0.022072 0.038896 -0.003814 0.011176 -0.021674 0Rh 5dyz 0.011923 0.010436 0.007992 -0.003392 0.017347 0.010553 0Rh 5dx2y2 -0.110873 -0.012822 -0.010113 0.002917 -0.006797 0.044977 0Rh 5dxy -0.043690 0.041220 0.021771 0.000024 -0.003726 0.027881 0Rh 1f0 0.013250 0.013412 0.005276 -0.000800 0.013634 -0.006808 0Rh 1f+1 -0.011295 -0.002610 0.006602 0.000411 0.005878 0.005705 0Rh 1f-1 -0.004728 0.004695 0.022335 -0.001660 -0.002761 -0.013975 0Rh 1f+2 -0.018599 0.015893 -0.013501 0.001442 0.009216 0.003215 0Rh 1f-2 -0.007960 0.014499 0.008602 -0.000546 0.001111 -0.005201 0Rh 1f+3 -0.022244 -0.014579 0.001266 0.000837 -0.004535 0.003673 0Rh 1f-3 -0.013493 0.007898 0.004062 0.000691 -0.002165 0.009561 1Rh 1s 0.000703 0.000050 -0.000144 0.000049 -0.000041 0.000216 1Rh 2s -0.001993 -0.000372 0.001266 -0.000449 0.000233 -0.001681 1Rh 3s 0.003065 0.000085 -0.000123 0.000031 -0.000113 0.000318 1Rh 4s 0.013231 0.002351 -0.007881 0.002804 -0.001513 0.010569 1Rh 5s -0.017409 -0.006337 0.022202 -0.008086 0.003894 -0.028802 1Rh 6s -0.078969 0.007037 -0.031305 0.012031 -0.003227 0.033527 1Rh 7s 1.724973 0.003185 0.105679 -0.068393 -0.003148 -0.024908 1Rh 8s -0.528828 0.005621 -0.003307 0.017039 0.006250 0.048942 1Rh 1pz -0.047930 0.047243 -0.071271 0.003301 -0.032559 -0.016665 1Rh 1px 0.154514 0.031539 -0.008687 -0.004552 -0.010488 -0.021195 1Rh 1py 0.030702 -0.076656 -0.058501 -0.000706 0.024210 -0.037790 1Rh 2pz 0.199861 -0.196988 0.297223 -0.013776 0.135969 0.069635 1Rh 2px -0.644277 -0.131543 0.036177 0.019014 0.043844 0.088416 1Rh 2py -0.128006 0.319707 0.243960 0.002963 -0.101137 0.157831 1Rh 3pz -0.655119 0.642317 -0.970197 0.045177 -0.447646 -0.230183 1Rh 3px 2.111002 0.429809 -0.116910 -0.062785 -0.145349 -0.288880 1Rh 3py 0.419100 -1.044148 -0.796023 -0.010136 0.333623 -0.519910 1Rh 4pz 0.883034 -0.840209 1.273477 -0.060160 0.599755 0.311982 1Rh 4px -2.840923 -0.565615 0.148822 0.085321 0.198374 0.378573 1Rh 4py -0.562575 1.371047 1.042853 0.015303 -0.448569 0.697123 1Rh 5pz -0.597155 0.469418 -0.724310 0.036738 -0.369593 -0.202935 1Rh 5px 1.902140 0.325785 -0.071553 -0.057162 -0.133083 -0.208029 1Rh 5py 0.369308 -0.777252 -0.586400 -0.014683 0.278544 -0.429587 1Rh 6pz 0.713890 -0.123747 0.219386 -0.006069 0.458144 0.346290 1Rh 6px -2.045325 -0.120389 -0.039066 0.058094 0.273167 0.056232 1Rh 6py -0.225712 0.187863 0.147382 0.031435 -0.338225 0.522074 1Rh 1dz2 -0.002157 -0.001210 0.002356 -0.000057 -0.000331 0.000192 1Rh 1dxz -0.002789 0.001933 -0.003840 0.000011 0.000548 0.000464 1Rh 1dyz -0.000707 0.000879 0.000620 -0.000014 0.000754 0.001177 1Rh 1dx2y2 0.004702 0.002154 0.000293 0.000228 0.000551 0.000390 1Rh 1dxy 0.002105 -0.003528 -0.002131 0.000016 -0.000110 0.001196 1Rh 2dz2 -0.000680 0.000350 -0.000848 0.000097 0.000333 -0.000250 1Rh 2dxz -0.000968 -0.000593 0.001160 0.000037 -0.000416 -0.000789 1Rh 2dyz -0.000074 -0.000503 -0.000374 0.000062 -0.000274 -0.000389 1Rh 2dx2y2 0.001195 -0.000744 0.000119 -0.000103 -0.000576 0.000517 1Rh 2dxy 0.000426 0.001029 0.000706 -0.000014 0.000245 -0.000580 1Rh 3dz2 0.014558 0.004564 -0.008064 -0.000179 0.000132 0.000356 1Rh 3dxz 0.019241 -0.007115 0.014257 -0.000232 -0.000988 0.001477 1Rh 3dyz 0.004008 -0.001998 -0.001446 -0.000241 -0.002720 -0.004252 1Rh 3dx2y2 -0.030387 -0.007490 -0.002106 -0.000692 -0.000123 -0.004758 1Rh 3dxy -0.012981 0.013273 0.007533 -0.000022 -0.000503 -0.003708 1Rh 4dz2 -0.037462 -0.009281 0.015068 0.000848 0.000957 -0.003158 1Rh 4dxz -0.049572 0.014021 -0.028187 0.000696 0.002062 -0.007213 1Rh 4dyz -0.009602 0.001747 0.001968 0.001009 0.006340 0.008431 1Rh 4dx2y2 0.077401 0.013921 0.005299 0.001211 -0.001754 0.015321 1Rh 4dxy 0.032250 -0.026683 -0.014301 0.000125 0.001181 0.008859 1Rh 5dz2 0.053687 0.015609 -0.014281 -0.002409 -0.004244 0.018003 1Rh 5dxz 0.072184 -0.022523 0.039095 -0.001104 -0.011664 0.022042 1Rh 5dyz 0.011293 0.009666 0.007483 -0.004226 -0.018021 -0.010284 1Rh 5dx2y2 -0.111442 -0.012636 -0.010502 -0.002221 0.007375 -0.044614 1Rh 5dxy -0.043681 0.041129 0.021515 -0.003239 0.003375 -0.027747 1Rh 1f0 -0.013222 -0.013367 -0.005277 -0.000077 0.013691 -0.006787 1Rh 1f+1 0.011268 0.002590 -0.006572 0.000163 0.005873 0.005707 1Rh 1f-1 0.004641 -0.004724 -0.022393 0.000214 -0.002728 -0.013947 1Rh 1f+2 0.018649 -0.015922 0.013546 -0.001132 0.009217 0.003233 1Rh 1f-2 0.007890 -0.014534 -0.008644 0.000025 0.001140 -0.005214 1Rh 1f+3 0.022204 0.014532 -0.001214 -0.000374 -0.004581 0.003710 1Rh 1f-3 0.013528 -0.007889 -0.004038 0.000359 -0.002172 0.009577 2C 1s -0.000391 0.000007 0.001548 0.000533 0.001063 0.000296 2C 2s 0.000051 0.000021 0.001732 0.000013 0.000543 0.000765 2C 3s 0.000878 0.000627 0.013224 0.021982 0.018085 -0.052701 2C 4s -0.309835 -0.003183 -0.034774 -0.068161 -0.024930 0.291039 2C 5s 0.284711 -0.023102 -0.103690 0.180078 0.459186 0.553528 2C 1pz 0.000386 0.001110 -0.012619 0.001654 0.000390 -0.010030 2C 1px -0.002626 -0.001323 0.045832 -0.000590 0.003258 -0.002549 2C 1py -0.000375 -0.001149 0.006580 -0.007633 -0.015859 -0.001616 2C 2pz -0.298550 -0.009458 0.225513 -0.019263 0.042793 0.170652 2C 2px -0.029659 0.009794 -0.493100 -0.003144 -0.029966 0.029711 2C 2py -0.190229 0.001310 -0.017119 0.097691 0.185335 0.072515 2C 3pz 0.136760 0.003989 -0.034440 0.055112 0.096710 0.139456 2C 3px 0.069652 -0.002257 0.093856 0.016513 0.018319 0.009596 2C 3py 0.075957 -0.016735 0.006305 -0.039170 0.031179 0.105692 2C 1dz2 -0.002303 0.001376 0.002672 0.018174 0.029472 -0.008427 2C 1dxz -0.003651 -0.003307 0.014537 0.015019 0.023599 -0.012722 2C 1dyz -0.001510 -0.000699 -0.007587 -0.010415 -0.015248 0.010505 2C 1dx2y2 0.005780 0.000123 -0.013111 0.015960 0.024620 -0.006520 2C 1dxy 0.000493 -0.000929 0.007453 -0.010021 -0.009192 0.002957 2C 2dz2 -0.054554 0.000290 0.115601 0.032313 0.035410 0.027426 2C 2dxz -0.016982 -0.000039 -0.043340 0.058083 0.079057 0.010722 2C 2dyz -0.074641 0.000633 -0.025374 0.001160 0.029350 0.029230 2C 2dx2y2 0.035185 0.008496 -0.133862 0.024584 -0.010605 -0.028755 2C 2dxy -0.004729 -0.003031 -0.090901 -0.038155 -0.050136 0.017940 2C 1f0 0.003352 0.004427 -0.011849 0.041737 0.044181 -0.012946 2C 1f+1 -0.003704 -0.003307 -0.010860 0.017087 0.018099 -0.018047 2C 1f-1 0.017779 -0.000798 0.014174 -0.009782 -0.011757 0.006920 2C 1f+2 -0.007363 -0.001624 0.032779 0.026951 0.036392 -0.010874 2C 1f-2 0.010755 -0.002028 -0.023762 -0.016100 -0.020252 0.004888 2C 1f+3 0.000283 0.000777 0.013017 0.034097 0.048533 -0.017356 2C 1f-3 -0.005841 0.000082 -0.009708 -0.038588 -0.048303 0.013548 3C 1s -0.000300 -0.001004 -0.000016 0.000876 0.000183 -0.001710 3C 2s 0.000148 -0.001183 -0.000027 0.000069 0.000709 -0.000819 3C 3s 0.001835 -0.002126 -0.000492 0.039182 -0.057150 -0.042018 3C 4s -0.308574 -0.035571 0.005466 -0.140191 0.315243 0.123172 3C 5s 0.271912 0.148661 0.069633 0.236913 0.537668 -0.626937 3C 1pz -0.000297 0.015877 0.000157 -0.007217 -0.001958 0.017228 3C 1px 0.000143 -0.044715 -0.003675 -0.000608 -0.002138 0.005044 3C 1py 0.000500 -0.006842 -0.000017 -0.000480 0.009350 -0.000025 3C 2pz -0.162742 -0.235786 -0.007597 0.097398 0.082535 -0.206478 3C 2px -0.113986 0.460789 0.038305 0.006355 0.047408 -0.053356 3C 2py 0.279229 0.178547 0.000975 0.014126 -0.163586 0.037958 3C 3pz 0.040065 0.042579 0.005988 -0.037993 0.096616 -0.037213 3C 3px 0.063686 -0.088995 -0.019807 0.001595 0.051208 -0.031491 3C 3py -0.150175 -0.040283 -0.024966 -0.058919 -0.133459 0.119724 3C 1dz2 -0.002893 0.004696 -0.001224 -0.010996 0.005506 0.024118 3C 1dxz -0.003986 -0.020746 -0.000275 -0.010470 0.005319 0.018485 3C 1dyz 0.001902 -0.006519 -0.000108 0.017552 -0.011733 -0.025361 3C 1dx2y2 0.003878 0.004666 0.001421 -0.018410 0.010285 0.029230 3C 1dxy 0.001247 0.002618 -0.000569 -0.006163 0.001221 0.009815 3C 2dz2 0.006697 -0.045795 -0.004507 -0.000961 -0.009724 -0.023022 3C 2dxz -0.025127 -0.062234 -0.006599 -0.011948 0.030195 -0.016341 3C 2dyz 0.065200 0.032437 0.002418 0.031077 -0.017485 -0.023382 3C 2dx2y2 0.044286 0.143256 -0.000001 -0.068182 -0.028380 0.098248 3C 2dxy 0.043991 -0.117548 -0.010672 -0.033017 -0.027873 0.073266 3C 1f0 -0.014824 0.009875 -0.002444 -0.027451 0.005813 0.042751 3C 1f+1 -0.005173 0.013738 0.000078 -0.041646 0.011006 0.057180 3C 1f-1 0.002871 0.017069 0.003567 0.025527 -0.005449 -0.031528 3C 1f+2 -0.014529 0.001774 0.003066 0.040379 -0.017844 -0.061564 3C 1f-2 -0.007931 -0.034416 -0.002753 0.026140 -0.006767 -0.035310 3C 1f+3 0.002395 -0.008516 -0.002026 -0.007515 0.000307 0.011101 3C 1f-3 0.001712 -0.004485 -0.000136 -0.028899 0.020938 0.032054 4C 1s 0.004033 -0.000090 -0.000872 -0.000469 0.001800 0.007708 4C 2s 0.003580 0.000014 -0.001545 -0.000664 0.002869 0.012553 4C 3s 0.173053 -0.007666 -0.027591 -0.018034 -0.064670 -0.142772 4C 4s -1.426834 0.027480 0.097092 0.108534 0.190112 0.296978 4C 5s -0.208506 0.013691 0.017374 -0.056466 -0.099110 0.047355 4C 1pz 0.019767 0.004051 -0.105634 0.007111 -0.009356 -0.036839 4C 1px -0.005491 -0.014981 0.314461 -0.018446 -0.009143 -0.028489 4C 1py 0.007785 -0.003979 0.054746 -0.009362 -0.020329 -0.029729 4C 2pz -0.547223 0.033637 -0.072008 0.176638 0.304472 0.214111 4C 2px -0.015357 -0.064681 0.610101 0.002139 0.092242 -0.077581 4C 2py -0.327907 -0.008601 0.160802 -0.170871 -0.158273 0.251353 4C 3pz 0.384066 -0.019076 0.014055 -0.030232 0.226999 0.559590 4C 3px 0.045081 0.008402 -0.003361 -0.040843 0.015106 0.150221 4C 3py 0.264549 0.002712 0.015674 0.157832 0.221523 0.353750 4C 1dz2 -0.033361 0.020676 -0.171245 0.092471 0.125244 0.005608 4C 1dxz -0.016654 -0.027839 0.309562 0.011241 0.045386 0.005760 4C 1dyz -0.067267 -0.012068 -0.004038 -0.038737 -0.052173 0.033887 4C 1dx2y2 0.007695 -0.016107 0.032477 0.045767 0.041398 -0.089604 4C 1dxy -0.018313 0.018827 0.220188 -0.002839 0.009464 -0.039688 4C 2dz2 0.272497 0.012154 0.155934 0.032175 0.000121 -0.085428 4C 2dxz 0.325100 -0.012862 -0.351984 0.000121 -0.030013 -0.106167 4C 2dyz 0.274960 0.004082 0.008574 -0.041477 -0.060177 -0.038696 4C 2dx2y2 -0.367418 0.000242 0.043706 0.060313 0.098706 0.095180 4C 2dxy -0.030369 -0.009267 -0.226348 0.022575 0.040194 0.009715 4C 1f0 0.027986 0.001067 0.030037 -0.057422 -0.060537 0.003358 4C 1f+1 0.059078 -0.010694 -0.036618 -0.142771 -0.194803 0.055323 4C 1f-1 0.032823 -0.004584 -0.052768 0.013970 0.016419 0.003547 4C 1f+2 -0.064593 0.006418 -0.111226 0.057219 0.068750 0.005197 4C 1f-2 0.014754 0.012215 0.054117 0.157656 0.210311 -0.070128 4C 1f+3 -0.002576 0.017419 -0.157861 -0.153057 -0.202258 0.110333 4C 1f-3 0.052298 0.010959 -0.123782 0.200907 0.241537 -0.107961 5C 1s 0.003998 0.000662 -0.000368 -0.000686 0.007528 -0.002218 5C 2s 0.003569 0.001055 -0.000559 -0.001060 0.012192 -0.003651 5C 3s 0.169147 0.019533 0.000574 -0.016177 -0.140225 0.082325 5C 4s -1.413601 -0.088064 -0.000092 0.102288 0.295989 -0.232994 5C 5s -0.198868 -0.071569 -0.036795 -0.107560 0.048850 0.159092 5C 1pz 0.002802 0.106595 0.006068 -0.006834 -0.021692 0.017839 5C 1px 0.017255 -0.316655 -0.019076 0.006720 -0.019259 0.012082 5C 1py -0.014295 -0.065996 -0.003595 -0.000438 0.043081 -0.013597 5C 2pz -0.296930 0.113564 0.023007 -0.176088 0.269260 0.180203 5C 2px -0.198407 -0.624180 -0.051624 0.031257 0.046052 -0.042999 5C 2py 0.499397 0.023024 -0.026011 -0.134527 -0.206559 0.312607 5C 3pz 0.235804 0.017968 0.026899 0.152599 0.310762 -0.257791 5C 3px 0.164015 0.021979 0.027262 0.026482 0.191841 -0.099513 5C 3py -0.363903 -0.019008 -0.031100 0.045107 -0.566175 0.280785 5C 1dz2 0.009124 0.102046 -0.012351 -0.078509 0.068226 0.105046 5C 1dxz -0.007194 -0.140290 0.016697 -0.021134 0.051255 0.010574 5C 1dyz 0.065763 -0.135889 -0.012027 0.037015 -0.019653 -0.051873 5C 1dx2y2 0.032648 -0.177616 -0.011000 -0.045879 -0.044187 0.099838 5C 1dxy 0.027224 0.315258 0.042724 -0.012238 -0.019805 0.010507 5C 2dz2 0.105693 -0.104770 -0.013279 -0.065939 -0.016948 0.096122 5C 2dxz 0.260294 0.230095 0.006371 -0.032518 -0.080109 0.061259 5C 2dyz -0.176734 0.141927 0.009872 0.029984 0.010436 -0.040023 5C 2dx2y2 -0.454683 0.126339 0.011885 0.001105 0.135328 -0.069082 5C 2dxy -0.237262 -0.351703 -0.018190 0.005499 0.070728 -0.021433 5C 1f0 0.008804 -0.123586 -0.018861 0.086529 -0.061084 -0.105086 5C 1f+1 0.049042 0.124627 0.021263 0.189052 -0.110888 -0.261387 5C 1f-1 -0.006275 -0.027731 0.004083 0.064586 -0.037201 -0.098923 5C 1f+2 -0.032345 0.082558 0.003594 -0.162640 0.074073 0.229893 5C 1f-2 -0.058078 0.115747 0.005598 0.013259 0.009472 -0.025347 5C 1f+3 0.049463 0.100592 -0.008647 -0.029855 -0.000751 0.055197 5C 1f-3 -0.053216 0.006042 0.004802 0.167067 -0.058046 -0.234388 6C 1s 0.003983 0.000643 -0.000372 -0.000370 -0.007545 0.002274 6C 2s 0.003552 0.001034 -0.000565 -0.000538 -0.012210 0.003748 6C 3s 0.168690 0.019977 0.000856 -0.025763 0.139650 -0.080264 6C 4s -1.410862 -0.088736 -0.001231 0.127897 -0.291116 0.223180 6C 5s -0.198543 -0.073316 -0.036709 -0.119080 -0.047346 -0.142589 6C 1pz -0.002770 -0.106458 -0.006096 0.008713 -0.021500 0.017326 6C 1px -0.017394 0.315665 0.019315 -0.004879 -0.019483 0.012069 6C 1py 0.014302 0.065917 0.003586 -0.001282 0.042979 -0.013722 6C 2pz 0.297663 -0.111144 -0.022346 0.190835 0.269916 0.160837 6C 2px 0.196488 0.621008 0.049820 -0.033372 0.044420 -0.041372 6C 2py -0.498945 -0.024934 0.026992 0.167988 -0.203374 0.298031 6C 3pz -0.236313 -0.019032 -0.027468 -0.179839 0.311264 -0.239188 6C 3px -0.164840 -0.021458 -0.027575 -0.037235 0.191466 -0.094669 6C 3py 0.364739 0.020015 0.031869 -0.012131 -0.568941 0.281893 6C 1dz2 0.008813 0.101773 -0.012602 -0.088275 -0.069239 -0.096720 6C 1dxz -0.007255 -0.140382 0.016599 -0.021636 -0.051140 -0.007917 6C 1dyz 0.065902 -0.135459 -0.011930 0.041915 0.019976 0.048007 6C 1dx2y2 0.032699 -0.177096 -0.011234 -0.056531 0.043785 -0.094202 6C 1dxy 0.026993 0.314190 0.042779 -0.012728 0.019517 -0.009514 6C 2dz2 0.104863 -0.104520 -0.013648 -0.075410 0.016177 -0.088885 6C 2dxz 0.260415 0.230694 0.006594 -0.039085 0.078901 -0.057957 6C 2dyz -0.176636 0.142145 0.010632 0.033941 -0.009844 0.037313 6C 2dx2y2 -0.453919 0.125408 0.012535 0.008972 -0.134385 0.069413 6C 2dxy -0.237522 -0.352936 -0.018939 0.008579 -0.069417 0.021413 6C 1f0 -0.009097 0.122748 0.018582 -0.095767 -0.061694 -0.095372 6C 1f+1 -0.049342 -0.124357 -0.021838 -0.214560 -0.112785 -0.240732 6C 1f-1 0.005995 0.027827 -0.004314 -0.074145 -0.037989 -0.091842 6C 1f+2 0.032847 -0.081741 -0.002942 0.184488 0.075524 0.211988 6C 1f-2 0.058076 -0.115763 -0.005585 -0.015954 0.009436 -0.023743 6C 1f+3 -0.049154 -0.100403 0.008737 0.035247 -0.000114 0.052267 6C 1f-3 0.052697 -0.006279 -0.005354 -0.189670 -0.059866 -0.215766 7C 1s 0.004047 -0.000102 -0.000904 -0.001235 -0.001847 -0.007594 7C 2s 0.003600 -0.000008 -0.001601 -0.001921 -0.002931 -0.012375 7C 3s 0.173938 -0.007122 -0.026942 -0.002779 0.063129 0.143845 7C 4s -1.431392 0.025569 0.094533 0.075774 -0.181535 -0.305828 7C 5s -0.208586 0.013825 0.017914 -0.060156 0.093120 -0.039324 7C 1pz -0.019660 -0.003950 0.104863 -0.011219 -0.009400 -0.036090 7C 1px 0.005145 0.014423 -0.313110 0.015517 -0.008441 -0.029332 7C 1py -0.008228 0.003810 -0.054512 0.006219 -0.020132 -0.030488 7C 2pz 0.548012 -0.033215 0.070491 -0.153040 0.299480 0.231097 7C 2px 0.016082 0.064930 -0.603409 -0.010451 0.093382 -0.075900 7C 2py 0.331316 0.008970 -0.159455 0.199321 -0.157936 0.232843 7C 3pz -0.385552 0.019777 -0.010527 0.089595 0.223043 0.555283 7C 3px -0.044713 -0.007211 0.002481 0.056437 0.015068 0.145034 7C 3py -0.265638 -0.001970 -0.013831 -0.119794 0.218464 0.371571 7C 1dz2 -0.033671 0.020354 -0.170059 0.092316 -0.124159 -0.014512 7C 1dxz -0.016641 -0.027594 0.307265 0.010592 -0.045585 -0.007882 7C 1dyz -0.067657 -0.012126 -0.004800 -0.042472 0.051633 -0.029479 7C 1dx2y2 0.007957 -0.015915 0.031713 0.055634 -0.041083 0.084116 7C 1dxy -0.018349 0.019086 0.220807 0.001441 -0.009911 0.039103 7C 2dz2 0.272481 0.012546 0.156585 0.041916 -0.001876 0.080317 7C 2dxz 0.324675 -0.013031 -0.353093 0.012180 0.028060 0.107121 7C 2dyz 0.275480 0.004186 0.008611 -0.036962 0.058815 0.042527 7C 2dx2y2 -0.369179 -0.000050 0.043561 0.049267 -0.095435 -0.101417 7C 2dxy -0.030750 -0.009847 -0.227017 0.021657 -0.039481 -0.010605 7C 1f0 -0.028489 -0.001218 -0.030532 0.058068 -0.060157 -0.002818 7C 1f+1 -0.059734 0.010716 0.036988 0.149428 -0.193792 0.040081 7C 1f-1 -0.032893 0.004474 0.053263 -0.013808 0.016534 0.004780 7C 1f+2 0.064827 -0.006290 0.110962 -0.057174 0.068352 0.010709 7C 1f-2 -0.014525 -0.012009 -0.054979 -0.165652 0.208740 -0.052642 7C 1f+3 0.002469 -0.017310 0.156007 0.165333 -0.200966 0.093019 7C 1f-3 -0.052449 -0.011094 0.122768 -0.213369 0.239765 -0.086553 8C 1s -0.000297 -0.001022 -0.000015 0.001029 -0.000181 0.001586 8C 2s 0.000148 -0.001202 -0.000025 0.000158 -0.000707 0.000801 8C 3s 0.002116 -0.002259 -0.000720 0.041895 0.057015 0.036540 8C 4s -0.309565 -0.035666 0.006735 -0.146041 -0.313620 -0.102418 8C 5s 0.273542 0.152687 0.070390 0.298487 -0.540265 0.591289 8C 1pz 0.000320 -0.015816 -0.000079 0.008910 -0.001863 0.016362 8C 1px -0.000147 0.044731 0.003715 0.001173 -0.002140 0.004839 8C 1py -0.000480 0.006782 -0.000001 0.000460 0.009391 -0.000059 8C 2pz 0.162339 0.236316 0.006841 -0.117853 0.080636 -0.194980 8C 2px 0.114075 -0.459973 -0.038990 -0.012393 0.046888 -0.051406 8C 2py -0.279412 -0.180105 -0.000470 -0.009224 -0.163236 0.040030 8C 3pz -0.040357 -0.042741 -0.005728 0.033544 0.097200 -0.040296 8C 3px -0.064521 0.088538 0.019581 -0.004928 0.051636 -0.030772 8C 3py 0.150027 0.040855 0.025290 0.071184 -0.133958 0.111791 8C 1dz2 -0.002923 0.004344 -0.001320 -0.013335 -0.005622 -0.022873 8C 1dxz -0.004028 -0.020624 -0.000309 -0.012565 -0.005530 -0.017484 8C 1dyz 0.001971 -0.006489 -0.000085 0.019845 0.011876 0.023358 8C 1dx2y2 0.003849 0.004909 0.001345 -0.021156 -0.010483 -0.027035 8C 1dxy 0.001215 0.002802 -0.000590 -0.007188 -0.001301 -0.009317 8C 2dz2 0.006817 -0.047501 -0.004670 0.001368 0.009743 0.023035 8C 2dxz -0.025085 -0.062033 -0.006534 -0.011235 -0.030875 0.016455 8C 2dyz 0.065378 0.032023 0.002313 0.032882 0.017488 0.019588 8C 2dx2y2 0.044075 0.144741 -0.000120 -0.077016 0.027329 -0.089671 8C 2dxy 0.043787 -0.115923 -0.011070 -0.040912 0.027705 -0.069670 8C 1f0 0.014887 -0.010415 0.002541 0.031667 0.006133 0.039721 8C 1f+1 0.005389 -0.013339 0.000039 0.046501 0.011172 0.051768 8C 1f-1 -0.002922 -0.017022 -0.003657 -0.028860 -0.005856 -0.029067 8C 1f+2 0.014362 -0.001678 -0.003136 -0.045943 -0.018030 -0.056630 8C 1f-2 0.007861 0.034523 0.002741 -0.029198 -0.006956 -0.032034 8C 1f+3 -0.002339 0.008094 0.001989 0.008539 0.000442 0.010035 8C 1f-3 -0.001572 0.004628 0.000228 0.031982 0.021355 0.028841 9C 1s -0.000399 0.000004 0.001570 0.000452 -0.000992 -0.000380 9C 2s 0.000045 0.000020 0.001765 -0.000082 -0.000523 -0.000783 9C 3s 0.000760 0.000441 0.013268 0.025971 -0.015464 0.049441 9C 4s -0.310064 -0.002496 -0.035743 -0.093353 0.015876 -0.279238 9C 5s 0.286878 -0.025362 -0.110697 0.115004 -0.441173 -0.574686 9C 1pz -0.000377 -0.001113 0.012570 -0.002966 0.000616 -0.009978 9C 1px 0.002651 0.001269 -0.045754 0.000305 0.003350 -0.002427 9C 1py 0.000371 0.001134 -0.006708 0.007391 -0.015575 -0.002436 9C 2pz 0.298496 0.009292 -0.226055 0.039760 0.039683 0.169720 9C 2px 0.028839 -0.009100 0.492228 0.006001 -0.030824 0.026961 9C 2py 0.191473 -0.000893 0.017855 -0.088749 0.180975 0.082023 9C 3pz -0.136091 -0.003534 0.035554 -0.040179 0.094426 0.144993 9C 3px -0.069759 0.001258 -0.093601 -0.015331 0.018180 0.011711 9C 3py -0.078350 0.016922 -0.005940 0.050346 0.030453 0.102072 9C 1dz2 -0.002349 0.001369 0.002677 0.019203 -0.029240 0.006391 9C 1dxz -0.003723 -0.003301 0.014719 0.016309 -0.023343 0.011138 9C 1dyz -0.001394 -0.000700 -0.007310 -0.011126 0.014668 -0.009171 9C 1dx2y2 0.005695 0.000076 -0.013046 0.017224 -0.024980 0.004996 9C 1dxy 0.000553 -0.000885 0.006725 -0.010204 0.008896 -0.001874 9C 2dz2 -0.054390 0.000263 0.114631 0.028008 -0.032865 -0.030944 9C 2dxz -0.017331 0.000003 -0.041142 0.055888 -0.076851 -0.016460 9C 2dyz -0.074686 0.000433 -0.023885 -0.001495 -0.029316 -0.029496 9C 2dx2y2 0.035558 0.008303 -0.133227 0.030171 0.007844 0.027839 9C 2dxy -0.004420 -0.002604 -0.094626 -0.039795 0.049467 -0.014011 9C 1f0 -0.003181 -0.004336 0.011551 -0.043968 0.044499 -0.008927 9C 1f+1 0.003599 0.003194 0.011603 -0.019575 0.018296 -0.016309 9C 1f-1 -0.017833 0.000701 -0.014155 0.009819 -0.010684 0.005750 9C 1f+2 0.007871 0.001648 -0.032751 -0.027126 0.034942 -0.007636 9C 1f-2 -0.010632 0.001948 0.023433 0.015779 -0.018901 0.002472 9C 1f+3 -0.000247 -0.000696 -0.013527 -0.035612 0.047472 -0.013537 9C 1f-3 0.005759 -0.000066 0.009173 0.039424 -0.047130 0.009260 10H 1s 0.003486 -0.003423 0.069100 0.020171 0.035855 -0.005041 10H 2s -0.069284 -0.008036 0.279896 0.019530 0.062004 0.004849 10H 3s 0.032800 0.004260 -0.076989 -0.024847 -0.044284 -0.008815 10H 1pz -0.007844 -0.003436 0.082868 0.011518 0.023212 -0.009557 10H 1px 0.015027 0.002126 -0.066286 -0.009344 -0.022140 -0.000898 10H 1py -0.002581 -0.000807 0.043703 -0.004158 -0.000710 0.000895 11H 1s -0.003697 -0.001594 -0.016201 -0.009423 -0.015291 -0.001077 11H 2s -0.026834 0.002610 -0.042025 -0.078906 -0.094361 0.015003 11H 3s 0.078817 0.011401 0.061169 0.003358 -0.024394 -0.030110 11H 1pz 0.003751 0.001536 -0.010068 -0.027129 -0.033822 0.013802 11H 1px -0.008295 0.001576 -0.015626 -0.008252 -0.011310 -0.002604 11H 1py 0.018471 0.001909 -0.007264 0.012388 0.011905 -0.005090 12H 1s 0.001571 0.004751 -0.022290 0.043525 0.054143 -0.016954 12H 2s -0.034140 0.004490 -0.059603 0.078261 0.098760 -0.028896 12H 3s 0.056159 -0.010551 0.071075 -0.051776 -0.061436 -0.014629 12H 1pz 0.014102 -0.001805 -0.012517 -0.001529 -0.001728 -0.002804 12H 1px -0.003677 0.000657 -0.017988 0.005429 0.004155 -0.006649 12H 1py -0.006133 0.001200 -0.020577 0.043247 0.058492 -0.014130 13H 1s 0.007765 -0.061615 -0.002516 0.037291 -0.003296 -0.057643 13H 2s -0.048515 -0.255871 -0.015245 0.057088 0.007697 -0.106123 13H 3s 0.034567 0.074917 0.011161 -0.047787 -0.008534 0.073524 13H 1pz -0.005453 -0.076648 -0.003289 0.018121 0.000775 -0.032101 13H 1px 0.010001 0.038254 0.002643 -0.019026 0.000073 0.031614 13H 1py -0.001023 0.060935 0.003510 -0.018579 0.010371 0.027029 14H 1s 0.002545 0.031052 0.006249 0.046842 -0.017859 -0.067476 14H 2s -0.041916 0.088536 0.008631 0.065429 -0.019243 -0.107638 14H 3s 0.050475 -0.080166 -0.025281 -0.053826 -0.013647 0.080880 14H 1pz -0.002602 0.021432 0.001609 0.029071 -0.005854 -0.049208 14H 1px -0.009803 0.033131 0.002956 0.027551 -0.012433 -0.043032 14H 1py -0.009643 -0.017368 0.002036 0.002634 0.004013 -0.003401 15H 1s -0.005915 0.010484 -0.001250 -0.000365 -0.008768 0.005566 15H 2s -0.026223 0.024539 0.001008 -0.080878 -0.005836 0.104869 15H 3s 0.085160 -0.045722 -0.001456 -0.001463 -0.024090 0.038413 15H 1pz 0.021271 0.001553 0.001079 0.009402 0.002794 -0.010631 15H 1px 0.002044 0.014267 0.002429 0.000796 -0.005903 0.000692 15H 1py -0.001127 -0.006930 -0.001502 0.024862 -0.005691 -0.032761 16H 1s 0.072098 -0.070901 0.118389 -0.005752 -0.023059 0.000225 16H 2s 0.064065 -0.060653 0.105440 -0.012153 -0.007650 -0.093147 16H 3s -0.055142 0.016983 -0.037021 0.002557 0.006696 0.006177 16H 1pz 0.062757 -0.079048 0.127812 -0.007920 -0.013969 -0.021875 16H 1px 0.001566 0.001998 -0.000034 -0.001304 -0.005412 -0.022830 16H 1py 0.031792 -0.033182 0.051241 -0.002913 -0.023107 -0.009498 17H 1s 0.083319 0.081296 -0.103206 0.003446 0.005433 0.038198 17H 2s 0.069655 0.073904 -0.078282 -0.002535 0.069477 -0.030702 17H 3s -0.055491 -0.027503 0.021716 0.000167 -0.006673 -0.002452 17H 1pz -0.055372 -0.059762 0.074555 -0.000938 -0.023368 -0.003920 17H 1px -0.038918 -0.053011 0.072932 -0.002094 0.009516 -0.015315 17H 1py 0.046259 0.049116 -0.063756 0.002497 0.017389 0.024953 18H 1s 0.082333 0.079585 -0.105999 0.000726 -0.006062 -0.040440 18H 2s 0.065754 0.072477 -0.080889 0.002557 -0.067908 0.028248 18H 3s -0.055023 -0.027460 0.023034 0.000236 0.006809 0.003030 18H 1pz 0.055806 0.059900 -0.078401 0.001731 -0.023954 -0.006410 18H 1px 0.037345 0.051835 -0.074900 0.001383 0.009915 -0.016430 18H 1py -0.043459 -0.046314 0.063278 -0.000826 0.016725 0.026377 19H 1s 0.073521 -0.069177 0.120851 -0.007404 0.022557 0.002124 19H 2s 0.065275 -0.058648 0.107916 -0.003534 0.007819 0.095311 19H 3s -0.055592 0.016008 -0.037356 0.002272 -0.006551 -0.006636 19H 1pz -0.062938 0.076304 -0.129364 0.007182 -0.013587 -0.024135 19H 1px -0.000560 -0.002645 0.001074 -0.001243 -0.004472 -0.022594 19H 1py -0.034836 0.034057 -0.055407 0.002883 -0.023136 -0.011771 20H 1s -0.005881 0.010729 -0.001312 -0.001575 0.008389 -0.006075 20H 2s -0.026611 0.024718 0.000799 -0.090803 0.004676 -0.095676 20H 3s 0.084887 -0.046759 -0.001261 -0.005115 0.024324 -0.037457 20H 1pz -0.021284 -0.001701 -0.001153 -0.010608 0.002549 -0.009759 20H 1px -0.001903 -0.014345 -0.002428 -0.000719 -0.006042 0.000802 20H 1py 0.001079 0.007030 0.001435 -0.028180 -0.006209 -0.030229 21H 1s 0.002599 0.030697 0.006357 0.052912 0.018306 0.061558 21H 2s -0.041347 0.086528 0.008869 0.075976 0.020533 0.099309 21H 3s 0.050711 -0.080122 -0.025425 -0.061380 0.013485 -0.073944 21H 1pz 0.002507 -0.020984 -0.001729 -0.034201 -0.006291 -0.046082 21H 1px 0.009640 -0.032474 -0.002992 -0.031291 -0.012730 -0.039125 21H 1py 0.009794 0.017216 -0.002043 -0.003084 0.003808 -0.003262 22H 1s 0.007944 -0.061693 -0.002410 0.042006 0.003202 0.052641 22H 2s -0.048244 -0.257117 -0.015336 0.066275 -0.007517 0.098676 22H 3s 0.034025 0.074490 0.011009 -0.053987 0.008554 -0.067167 22H 1pz 0.005318 0.076516 0.003297 -0.020382 0.000806 -0.029100 22H 1px -0.009887 -0.038667 -0.002594 0.021886 0.000054 0.029357 22H 1py 0.001007 -0.061530 -0.003585 0.021019 0.010436 0.024985 23H 1s 0.001266 0.004560 -0.021849 0.044259 -0.052039 0.012296 23H 2s -0.033771 0.003798 -0.057230 0.081573 -0.096467 0.021737 23H 3s 0.056787 -0.009847 0.071512 -0.049278 0.058419 0.020060 23H 1pz -0.014350 0.001767 0.012095 0.001232 -0.001588 -0.002821 23H 1px 0.003458 -0.000489 0.017622 -0.005247 0.002780 -0.005967 23H 1py 0.006218 -0.000965 0.019684 -0.044674 0.057282 -0.009794 24H 1s -0.003459 -0.001672 -0.016576 -0.010664 0.016661 0.001320 24H 2s -0.026802 0.002640 -0.042106 -0.080061 0.093370 -0.007728 24H 3s 0.077914 0.012011 0.062608 0.007226 0.022017 0.029905 24H 1pz -0.003798 -0.001571 0.010316 0.028964 -0.034007 0.011373 24H 1px 0.008388 -0.001509 0.015649 0.008332 -0.011785 -0.003206 24H 1py -0.018258 -0.001953 0.007583 -0.013111 0.012016 -0.004181 25H 1s 0.003343 -0.003364 0.068997 0.018836 -0.033524 0.001926 25H 2s -0.070198 -0.007670 0.280630 0.016335 -0.058409 -0.008993 25H 3s 0.032788 0.003870 -0.076386 -0.022027 0.041601 0.012413 25H 1pz 0.008064 0.003402 -0.083525 -0.011790 0.022155 -0.007597 25H 1px -0.015210 -0.002039 0.066259 0.007955 -0.020501 -0.002593 25H 1py 0.002443 0.000796 -0.042839 0.004940 -0.001787 0.000657 26O 1s -0.000017 0.000197 -0.001857 0.000126 -0.000049 0.000378 26O 2s 0.000961 0.000880 -0.011154 0.000680 -0.000087 0.002086 26O 3s -0.052220 -0.013377 0.210395 -0.010118 0.005740 -0.028590 26O 4s 0.299640 0.037660 -0.493453 0.011443 -0.057980 0.025160 26O 5s 0.294630 0.012331 -0.101658 -0.005869 -0.071756 -0.186524 26O 1pz 0.018705 -0.004221 -0.053935 0.021427 0.025645 0.006536 26O 1px -0.022598 0.001412 -0.073195 0.018021 0.021064 0.016881 26O 1py 0.003324 0.016991 -0.068697 -0.026973 -0.029773 0.033022 26O 2pz -0.099928 0.003592 0.196601 -0.089878 -0.095162 0.013177 26O 2px -0.070758 -0.017933 0.367716 -0.071290 -0.048655 -0.021197 26O 2py -0.088356 -0.052328 0.290835 0.124908 0.161818 -0.100845 26O 3pz -0.241370 -0.021084 0.098193 0.016466 -0.042410 0.026638 26O 3px -0.677462 -0.025995 -0.026002 0.038485 0.057947 0.209577 26O 3py -0.390795 0.048622 0.052703 -0.007205 0.073858 0.067262 26O 1dz2 -0.020971 0.039641 0.097051 0.096677 0.119409 -0.085605 26O 1dxz 0.027570 0.007227 -0.031564 0.107313 0.136185 0.004385 26O 1dyz -0.010179 -0.024219 0.057918 -0.036677 -0.050246 -0.009647 26O 1dx2y2 -0.002768 0.017023 -0.026975 0.143119 0.169558 -0.074213 26O 1dxy 0.015625 0.024158 -0.079655 -0.061936 -0.068455 0.068543 26O 2dz2 -0.029352 -0.022007 0.067875 -0.014769 -0.013328 0.006209 26O 2dxz 0.028075 -0.001111 -0.067623 0.028971 0.031098 -0.019364 26O 2dyz 0.007627 0.011267 -0.073864 0.022091 0.024471 0.006049 26O 2dx2y2 0.027568 -0.007606 -0.091342 0.036291 0.042117 -0.005800 26O 2dxy 0.044867 0.005252 -0.158689 -0.041951 -0.066599 0.035863 26O 1f0 0.006374 0.020881 -0.025286 0.031863 0.056973 0.018770 26O 1f+1 0.029889 0.018015 -0.143146 -0.101895 -0.139700 0.068713 26O 1f-1 0.006137 0.016314 0.021384 -0.095015 -0.127730 0.023309 26O 1f+2 -0.047414 0.027775 -0.096540 -0.149897 -0.193426 0.076454 26O 1f-2 0.037799 0.006613 0.166334 -0.016606 -0.033975 -0.070875 26O 1f+3 -0.012729 -0.031804 -0.069524 0.220059 0.270720 -0.126176 26O 1f-3 -0.002205 0.017056 -0.327478 0.023841 0.029567 0.076685 27O 1s -0.000296 0.001811 -0.000031 -0.000203 0.000168 0.000202 27O 2s 0.000028 0.011049 0.000280 -0.000955 0.001123 0.000809 27O 3s -0.042981 -0.210009 -0.008860 0.018595 -0.012179 -0.020962 27O 4s 0.291446 0.489242 0.023309 -0.066951 -0.032173 0.117436 27O 5s 0.448491 0.088742 -0.015435 -0.042493 -0.138569 0.104430 27O 1pz 0.012356 0.034561 0.016643 -0.031805 0.018476 0.035651 27O 1px -0.019084 0.085739 0.007230 -0.010489 0.027518 -0.002918 27O 1py -0.014752 -0.061705 0.002277 -0.017719 -0.005035 0.029274 27O 2pz -0.044939 -0.110526 -0.042601 0.138177 -0.063323 -0.164686 27O 2px -0.117767 -0.417145 -0.024875 0.071363 -0.041836 -0.071433 27O 2py 0.108636 0.235888 -0.002379 0.071555 -0.027472 -0.099316 27O 3pz -0.020699 -0.075830 0.037755 -0.033507 -0.037001 -0.021377 27O 3px -0.750285 -0.034134 -0.016456 0.027534 0.197470 -0.112348 27O 3py 0.270236 0.125440 0.053966 -0.017359 -0.040244 -0.043376 27O 1dz2 -0.001272 -0.046615 -0.048059 -0.077472 0.027091 0.117009 27O 1dxz 0.011516 0.028506 0.001613 -0.130604 0.079316 0.167677 27O 1dyz 0.020562 0.082110 0.029892 0.068264 -0.001380 -0.090811 27O 1dx2y2 0.011966 0.112542 -0.016912 -0.096015 0.066392 0.120005 27O 1dxy -0.020972 -0.032041 0.008672 -0.064289 -0.002466 0.083640 27O 2dz2 -0.032213 -0.113846 0.010925 0.030364 -0.015455 -0.040306 27O 2dxz 0.002532 0.021394 0.007782 -0.049163 0.019372 0.069535 27O 2dyz 0.007500 -0.047222 -0.013803 0.005961 -0.012546 -0.011637 27O 2dx2y2 0.045907 0.128623 0.019547 -0.020133 0.009114 0.020335 27O 2dxy -0.036591 -0.124163 -0.007049 -0.027515 0.020736 0.042985 27O 1f0 0.009120 0.044279 0.019369 -0.126520 0.101344 0.161174 27O 1f+1 -0.009211 0.274541 0.014598 0.063728 0.013755 -0.117364 27O 1f-1 0.008961 -0.061105 0.028290 -0.067464 0.010010 0.100861 27O 1f+2 -0.018523 0.122021 -0.014421 0.121262 -0.051134 -0.165117 27O 1f-2 -0.073209 0.175708 0.034597 -0.122011 0.112453 0.140229 27O 1f+3 0.002152 0.167421 0.024835 -0.158706 0.062712 0.222333 27O 1f-3 0.000027 -0.146851 -0.006634 -0.038989 -0.042161 0.092668 28O 1s -0.000100 -0.000159 0.001204 -0.000314 -0.000350 -0.000348 28O 2s 0.000844 -0.000835 0.008635 -0.001460 -0.001171 -0.001125 28O 3s -0.056662 0.015671 -0.168222 0.026864 0.020309 0.024153 28O 4s 0.340983 -0.045949 0.329917 -0.085162 -0.087449 -0.140474 28O 5s 0.525636 -0.039445 0.001541 -0.054540 -0.097294 -0.177462 28O 1pz 0.003776 0.004299 0.085688 0.016369 0.030945 0.006392 28O 1px 0.020203 0.010805 -0.036481 0.017775 0.016831 -0.016399 28O 1py 0.009248 -0.015778 0.039317 -0.039617 -0.041791 0.022601 28O 2pz -0.164513 0.008495 -0.322563 -0.049976 -0.089614 0.069963 28O 2px 0.084062 -0.048692 0.175867 -0.098882 -0.102967 0.001474 28O 2py -0.064616 0.047290 -0.130371 0.173118 0.196150 -0.066130 28O 3pz -0.576136 0.016946 -0.145965 0.059192 0.053581 0.147554 28O 3px 0.562293 0.016056 -0.062363 -0.024199 -0.102614 -0.186796 28O 3py -0.154262 -0.060032 -0.111864 -0.017440 0.061035 -0.003735 28O 1dz2 0.014395 -0.025195 0.014333 0.161694 0.211202 -0.071200 28O 1dxz -0.021638 -0.019470 -0.114282 0.021669 0.000606 -0.026934 28O 1dyz -0.010039 0.002395 -0.048056 -0.114548 -0.153000 0.048853 28O 1dx2y2 -0.002273 -0.040561 0.045267 0.032631 0.033968 -0.023382 28O 1dxy -0.019450 0.016557 -0.073707 0.106450 0.120207 -0.067068 28O 2dz2 0.017106 0.014483 0.067721 0.022377 0.035626 -0.023594 28O 2dxz -0.067484 0.020082 -0.144418 -0.002928 -0.012899 0.028049 28O 2dyz 0.008800 -0.012821 0.077375 -0.034516 -0.038400 0.009559 28O 2dx2y2 0.027842 0.007290 0.063016 -0.033105 -0.034756 0.011045 28O 2dxy -0.019490 0.006624 -0.019136 0.054918 0.074264 -0.017114 28O 1f0 0.012688 -0.050222 0.052780 -0.205964 -0.260764 0.080113 28O 1f+1 0.012616 0.005550 0.163418 0.117816 0.194746 -0.022784 28O 1f-1 0.051845 0.002649 -0.240378 0.065124 0.053910 -0.094377 28O 1f+2 0.000433 -0.012454 -0.216279 -0.023296 -0.040161 0.023317 28O 1f-2 -0.026094 -0.040348 0.085416 -0.180377 -0.228809 0.119797 28O 1f+3 0.023677 0.010140 -0.184024 -0.046419 -0.069540 0.029084 28O 1f-3 0.045271 -0.015855 -0.017035 -0.093771 -0.131135 0.046532 29O 1s 0.005310 -0.000039 0.000225 -0.000126 0.000454 -0.000583 29O 2s 0.013946 -0.000184 0.000565 -0.000337 0.001445 -0.001903 29O 3s -0.109011 0.003083 -0.003130 0.002636 -0.016233 0.020478 29O 4s 0.354392 -0.002376 0.013841 -0.010019 0.042221 -0.042745 29O 5s -1.158914 -0.025995 -0.067082 0.040215 -0.076970 0.076664 29O 1pz -0.019905 0.027143 -0.043376 0.002127 0.003240 0.006299 29O 1px 0.051497 0.012378 -0.010429 -0.000321 0.001986 0.000767 29O 1py -0.024836 0.002900 0.007832 -0.000184 0.003157 -0.006813 29O 2pz 0.059560 -0.163558 0.250385 -0.012147 -0.024819 -0.040919 29O 2px -0.157590 -0.068200 0.073259 0.000051 -0.013483 -0.004765 29O 2py 0.117138 0.004999 -0.026736 -0.000703 -0.009932 0.023165 29O 3pz -0.168284 -0.004299 -0.015023 0.001523 -0.067042 -0.063140 29O 3px 0.483858 0.008170 0.021036 -0.011365 -0.032881 0.021966 29O 3py 0.045487 0.033180 0.036374 -0.009964 0.064609 -0.094382 29O 1dz2 -0.138445 0.050142 -0.090219 0.005990 0.007655 -0.019205 29O 1dxz -0.160408 -0.062076 0.078880 0.001131 0.018128 0.000258 29O 1dyz -0.015954 0.052695 -0.101620 0.005087 0.046397 0.017403 29O 1dx2y2 0.161950 -0.024647 0.028047 -0.005332 0.015794 -0.010950 29O 1dxy 0.091477 0.064168 -0.013616 0.000967 -0.014650 0.059083 29O 2dz2 0.030715 0.019758 -0.025965 0.000735 0.011477 0.016813 29O 2dxz 0.047407 -0.013760 0.020842 -0.002765 -0.017262 -0.014481 29O 2dyz 0.003446 0.048992 -0.060478 0.002606 -0.006653 0.011751 29O 2dx2y2 -0.074729 -0.000554 0.004562 0.001626 -0.010021 -0.002577 29O 2dxy 0.000318 0.005123 -0.037313 0.000394 0.012736 -0.017611 29O 1f0 0.027714 -0.003187 0.017493 -0.001380 -0.013324 -0.001006 29O 1f+1 0.012076 -0.013861 0.016629 -0.000365 0.014809 0.009271 29O 1f-1 0.083641 -0.047339 0.088045 -0.004846 -0.021895 0.005864 29O 1f+2 0.042812 0.022334 -0.042612 0.000666 -0.024477 -0.003378 29O 1f-2 0.083405 0.086309 -0.097131 0.003581 0.016612 0.045702 29O 1f+3 0.066773 -0.030810 0.031925 -0.001291 0.003976 0.011032 29O 1f-3 0.004591 -0.027097 0.057606 -0.002052 -0.021896 -0.004829 30O 1s 0.000161 -0.001167 -0.000116 0.000181 -0.000242 -0.000223 30O 2s 0.001662 -0.008553 -0.000794 0.000626 -0.000496 -0.000843 30O 3s -0.062681 0.168752 0.016572 -0.006308 0.011981 0.006117 30O 4s 0.332794 -0.331779 -0.040485 0.005564 -0.097018 0.017496 30O 5s 0.357097 0.021360 -0.031604 -0.020174 -0.218312 0.128791 30O 1pz -0.001652 -0.067284 -0.018423 -0.032646 0.028566 0.042962 30O 1px 0.023909 0.023432 -0.000485 -0.008953 -0.002250 0.008952 30O 1py -0.007585 0.078046 -0.004725 -0.024949 -0.008824 0.036675 30O 2pz -0.089741 0.253579 0.061263 0.144059 -0.060918 -0.209442 30O 2px 0.033154 -0.129877 -0.013025 0.035203 -0.035085 -0.026841 30O 2py 0.138050 -0.287046 0.002304 0.104083 -0.044859 -0.123383 30O 3pz -0.473623 0.048884 -0.051907 -0.016203 0.101845 -0.089148 30O 3px 0.443433 0.112360 -0.003460 -0.015383 -0.187793 0.063194 30O 3py 0.527613 -0.124317 -0.033595 -0.034466 -0.137775 0.025406 30O 1dz2 0.001643 -0.036037 0.011307 -0.182873 0.109782 0.226201 30O 1dxz -0.014780 0.097531 0.043488 0.028652 -0.035241 -0.040727 30O 1dyz 0.001007 -0.005206 -0.017682 0.060150 -0.026008 -0.086551 30O 1dx2y2 -0.020823 -0.003986 0.019119 -0.082126 0.012949 0.131014 30O 1dxy 0.033680 -0.109201 0.008673 0.059899 0.012596 -0.119927 30O 2dz2 -0.003329 0.023615 -0.014549 -0.034525 0.012717 0.059859 30O 2dxz -0.037587 0.092908 0.002530 0.042133 -0.013928 -0.066669 30O 2dyz -0.036985 0.141202 0.021545 0.002853 -0.002006 -0.003746 30O 2dx2y2 -0.003126 0.012001 -0.012571 0.000431 0.007077 -0.002056 30O 2dxy 0.052471 -0.091723 -0.008863 0.038188 -0.032844 -0.039522 30O 1f0 -0.017454 -0.313029 -0.011839 0.097817 0.009205 -0.157219 30O 1f+1 0.025256 -0.006456 -0.022054 -0.156790 0.091592 0.235225 30O 1f-1 -0.024562 -0.099480 -0.061587 -0.205045 0.132763 0.282306 30O 1f+2 -0.013094 -0.042061 0.015304 0.028529 0.041265 -0.072949 30O 1f-2 0.006207 0.254271 0.010532 0.023260 -0.053609 -0.034442 30O 1f+3 0.042477 0.052068 0.020484 0.117293 -0.042221 -0.179745 30O 1f-3 -0.041908 0.086509 0.011145 0.013090 0.007957 -0.012382 31O 1s 0.000167 -0.001136 -0.000113 0.000192 0.000248 0.000208 31O 2s 0.001683 -0.008438 -0.000783 0.000673 0.000517 0.000796 31O 3s -0.062938 0.167210 0.016355 -0.006380 -0.012151 -0.005776 31O 4s 0.333426 -0.327537 -0.039469 0.002021 0.096791 -0.017359 31O 5s 0.356277 0.022419 -0.031531 -0.036275 0.216560 -0.126298 31O 1pz 0.001734 0.067017 0.018511 0.036719 0.028904 0.039190 31O 1px -0.023819 -0.023206 0.000499 0.009751 -0.002086 0.008238 31O 1py 0.007614 -0.077848 0.004824 0.028603 -0.008515 0.034101 31O 2pz 0.089415 -0.252072 -0.061489 -0.164764 -0.062684 -0.192840 31O 2px -0.033553 0.128470 0.012596 -0.037024 -0.035421 -0.023954 31O 2py -0.138256 0.285545 -0.002872 -0.115477 -0.045738 -0.112881 31O 3pz 0.473853 -0.048980 0.051972 0.005019 0.101381 -0.092353 31O 3px -0.443028 -0.113015 0.003014 0.023594 -0.186192 0.062425 31O 3py -0.527627 0.124000 0.033338 0.038497 -0.136968 0.023654 31O 1dz2 0.000947 -0.036271 0.010705 -0.204325 -0.111728 -0.206604 31O 1dxz -0.014748 0.096962 0.043430 0.032781 0.035642 0.037687 31O 1dyz 0.001138 -0.005269 -0.017396 0.068789 0.026667 0.079916 31O 1dx2y2 -0.021058 -0.003996 0.018783 -0.095140 -0.013700 -0.121800 31O 1dxy 0.033862 -0.109298 0.008877 0.072422 -0.011773 0.113344 31O 2dz2 -0.003379 0.023543 -0.014688 -0.040486 -0.013129 -0.056027 31O 2dxz -0.037504 0.092631 0.002671 0.048795 0.014401 0.061831 31O 2dyz -0.037055 0.140647 0.021473 0.003303 0.002003 0.003162 31O 2dx2y2 -0.003141 0.011818 -0.012509 0.000743 -0.007086 0.001979 31O 2dxy 0.052608 -0.091129 -0.008664 0.041523 0.033155 0.035630 31O 1f0 0.017205 0.312353 0.011618 -0.113449 0.007862 -0.146808 31O 1f+1 -0.024857 0.006363 0.022616 0.179912 0.093596 0.218345 31O 1f-1 0.025035 0.099677 0.062330 0.232046 0.134686 0.259537 31O 1f+2 0.012984 0.042119 -0.015475 -0.036355 0.040630 -0.069651 31O 1f-2 -0.006160 -0.253480 -0.010781 -0.026624 -0.053654 -0.031337 31O 1f+3 -0.042830 -0.052387 -0.020916 -0.134948 -0.043433 -0.166969 31O 1f-3 0.041985 -0.086567 -0.011199 -0.013995 0.007958 -0.010295 32O 1s 0.005313 -0.000046 0.000226 -0.000063 -0.000455 0.000575 32O 2s 0.013952 -0.000207 0.000572 -0.000132 -0.001445 0.001879 32O 3s -0.109133 0.003339 -0.003278 0.000411 0.016292 -0.020196 32O 4s 0.354608 -0.002979 0.014233 -0.005460 -0.043024 0.042110 32O 5s -1.157549 -0.025543 -0.067181 0.032101 0.078975 -0.076410 32O 1pz 0.019865 -0.026501 0.044575 -0.002060 0.003175 0.007334 32O 1px -0.051581 -0.012054 0.010786 0.000211 0.002141 0.001197 32O 1py 0.024713 -0.003762 -0.006774 -0.000579 0.003270 -0.006682 32O 2pz -0.060027 0.160102 -0.257124 0.011206 -0.024620 -0.046491 32O 2px 0.157246 0.066253 -0.074861 0.000613 -0.013630 -0.006750 32O 2py -0.116397 -0.000316 0.020889 0.003262 -0.010877 0.022263 32O 3pz 0.166559 0.004583 0.015412 -0.008122 -0.067431 -0.061967 32O 3px -0.484605 -0.008098 -0.020340 0.014294 -0.031579 0.022242 32O 3py -0.044857 -0.033853 -0.035874 -0.000673 0.063687 -0.094548 32O 1dz2 -0.139333 0.046225 -0.086981 0.008705 -0.006130 0.018617 32O 1dxz -0.160134 -0.062776 0.082714 0.000604 -0.017473 0.001886 32O 1dyz -0.020024 0.052096 -0.105921 0.005084 -0.046869 -0.019203 32O 1dx2y2 0.161796 -0.026137 0.030743 -0.004260 -0.015364 0.012368 32O 1dxy 0.090060 0.061978 -0.012832 -0.004935 0.014861 -0.059063 32O 2dz2 0.030153 0.017385 -0.024187 -0.000599 -0.011579 -0.017044 32O 2dxz 0.047529 -0.014144 0.022995 -0.001908 0.017140 0.015218 32O 2dyz 0.002535 0.048662 -0.062986 0.002103 0.006488 -0.013140 32O 2dx2y2 -0.074919 -0.001570 0.006653 0.001629 0.010283 0.002882 32O 2dxy -0.000380 0.003899 -0.036727 0.002672 -0.012517 0.017278 32O 1f0 -0.024319 0.000504 -0.013019 0.001186 -0.011287 -0.001545 32O 1f+1 -0.009310 0.015987 -0.019505 0.001346 0.013969 0.007618 32O 1f-1 -0.087605 0.044937 -0.088390 0.006691 -0.022939 0.004312 32O 1f+2 -0.038263 -0.021451 0.043580 -0.001404 -0.024367 -0.004543 32O 1f-2 -0.080993 -0.085641 0.101745 -0.000154 0.016809 0.047772 32O 1f+3 -0.069706 0.027314 -0.028320 0.002764 0.004770 0.011977 32O 1f-3 -0.006056 0.026929 -0.060069 0.002434 -0.021401 -0.005640 33O 1s -0.000106 -0.000149 0.001165 -0.000277 0.000332 0.000385 33O 2s 0.000827 -0.000801 0.008484 -0.001335 0.001091 0.001277 33O 3s -0.056650 0.015253 -0.166164 0.024066 -0.018876 -0.026673 33O 4s 0.341343 -0.044936 0.324723 -0.068950 0.082377 0.148492 33O 5s 0.527508 -0.040307 0.001348 -0.034696 0.093387 0.183511 33O 1pz -0.003802 -0.004365 -0.085147 -0.015805 0.031165 0.008294 33O 1px -0.020050 -0.010720 0.035890 -0.019597 0.016564 -0.014353 33O 1py -0.009268 0.015743 -0.038907 0.042165 -0.041297 0.018491 33O 2pz 0.164949 -0.008061 0.319721 0.058628 -0.091834 0.063806 33O 2px -0.085143 0.048394 -0.173123 0.098758 -0.100502 -0.009346 33O 2py 0.065197 -0.047108 0.128869 -0.180631 0.193854 -0.047848 33O 3pz 0.574915 -0.016175 0.147214 -0.042880 0.049859 0.150905 33O 3px -0.562623 -0.016233 0.061836 0.004333 -0.100180 -0.187687 33O 3py 0.154487 0.060362 0.113175 0.016430 0.060582 -0.006560 33O 1dz2 0.013862 -0.025209 0.014128 0.170411 -0.210143 0.053994 33O 1dxz -0.021507 -0.019518 -0.114479 0.023985 0.000518 0.024777 33O 1dyz -0.009748 0.002403 -0.048596 -0.119786 0.151381 -0.035819 33O 1dx2y2 -0.002194 -0.040376 0.044006 0.035321 -0.033782 0.019769 33O 1dxy -0.019276 0.016675 -0.072607 0.114011 -0.119276 0.056008 33O 2dz2 0.016970 0.014603 0.067141 0.025242 -0.035971 0.020919 33O 2dxz -0.067752 0.019827 -0.143238 -0.006294 0.013787 -0.027313 33O 2dyz 0.008892 -0.012783 0.077207 -0.035495 0.037729 -0.006091 33O 2dx2y2 0.028087 0.007320 0.062879 -0.034234 0.034053 -0.007660 33O 2dxy -0.019846 0.006519 -0.019089 0.057050 -0.073612 0.011123 33O 1f0 -0.013351 0.050059 -0.053546 0.215329 -0.258998 0.058234 33O 1f+1 -0.012190 -0.005917 -0.162479 -0.121839 0.195332 -0.010442 33O 1f-1 -0.052134 -0.002611 0.239858 -0.074473 0.051593 -0.087616 33O 1f+2 0.000116 0.012886 0.214698 0.026473 -0.040846 0.020295 33O 1f-2 0.026171 0.040175 -0.084571 0.193722 -0.226347 0.100190 33O 1f+3 -0.023545 -0.009960 0.183432 0.050244 -0.069752 0.023494 33O 1f-3 -0.045363 0.015834 0.017926 0.099410 -0.130346 0.036421 34O 1s -0.000304 0.001795 -0.000026 -0.000213 -0.000174 -0.000185 34O 2s -0.000004 0.010983 0.000292 -0.000987 -0.001148 -0.000734 34O 3s -0.042433 -0.209076 -0.008920 0.019950 0.012717 0.019439 34O 4s 0.289854 0.487333 0.023072 -0.077264 0.030268 -0.111294 34O 5s 0.445123 0.088117 -0.017449 -0.052852 0.137165 -0.101162 34O 1pz -0.012333 -0.034367 -0.016593 0.034974 0.018743 0.032228 34O 1px 0.019214 -0.085404 -0.007233 0.009622 0.027574 -0.003802 34O 1py 0.014846 0.061824 -0.002228 0.020637 -0.004931 0.027149 34O 2pz 0.044721 0.109678 0.042315 -0.153219 -0.064521 -0.149626 34O 2px 0.116416 0.415401 0.024341 -0.076402 -0.042932 -0.064857 34O 2py -0.108822 -0.236171 0.002250 -0.081282 -0.027782 -0.090643 34O 3pz 0.020845 0.076121 -0.037709 0.030655 -0.037514 -0.024713 34O 3px 0.749530 0.033890 0.015744 -0.040825 0.194250 -0.110406 34O 3py -0.269873 -0.125588 -0.054792 0.012925 -0.038599 -0.044580 34O 1dz2 -0.001519 -0.046327 -0.048185 -0.089086 -0.027810 -0.107904 34O 1dxz 0.011089 0.027722 0.001053 -0.146286 -0.080349 -0.152900 34O 1dyz 0.020842 0.082750 0.030120 0.077062 0.001917 0.083230 34O 1dx2y2 0.011419 0.111869 -0.017257 -0.107179 -0.067476 -0.109440 34O 1dxy -0.021021 -0.032427 0.008442 -0.072263 0.002135 -0.076071 34O 2dz2 -0.031887 -0.113506 0.010997 0.034032 0.015935 0.037073 34O 2dxz 0.002358 0.020989 0.007655 -0.055741 -0.019825 -0.064202 34O 2dyz 0.007542 -0.047235 -0.013769 0.007086 0.012638 0.011016 34O 2dx2y2 0.045588 0.128067 0.019436 -0.021670 -0.009535 -0.018577 34O 2dxy -0.036491 -0.123956 -0.007167 -0.031850 -0.020818 -0.039584 34O 1f0 -0.008717 -0.043283 -0.018887 0.141437 0.102400 0.147236 34O 1f+1 0.009238 -0.273624 -0.014956 -0.075925 0.013233 -0.109876 34O 1f-1 -0.008927 0.061044 -0.028010 0.077451 0.010658 0.093501 34O 1f+2 0.018245 -0.123133 0.013912 -0.136750 -0.051900 -0.151447 34O 1f-2 0.073632 -0.175070 -0.034379 0.134775 0.113629 0.127174 34O 1f+3 -0.001674 -0.166084 -0.024287 0.179849 0.064394 0.205182 34O 1f-3 -0.000041 0.146863 0.006998 0.048552 -0.042172 0.087084 35O 1s -0.000021 0.000192 -0.001827 0.000091 0.000053 -0.000388 35O 2s 0.000952 0.000860 -0.011037 0.000476 0.000099 -0.002124 35O 3s -0.052346 -0.013193 0.208690 -0.007457 -0.005687 0.028903 35O 4s 0.300767 0.037712 -0.489008 0.010241 0.056233 -0.024870 35O 5s 0.297843 0.013672 -0.098475 0.014128 0.070096 0.185984 35O 1pz -0.018584 0.004315 0.054038 -0.020809 0.025603 0.008537 35O 1px 0.022690 -0.001229 0.072883 -0.016296 0.020707 0.018536 35O 1py -0.003275 -0.016843 0.068345 0.030497 -0.029416 0.029683 35O 2pz 0.099676 -0.003886 -0.196319 0.091914 -0.095199 0.004218 35O 2px 0.071565 0.017731 -0.365090 0.069976 -0.048368 -0.027722 35O 2py 0.089012 0.052011 -0.288905 -0.135373 0.159873 -0.085960 35O 3pz 0.240380 0.021098 -0.098394 -0.013119 -0.043054 0.028460 35O 3px 0.678006 0.026794 0.028307 -0.015980 0.055184 0.211522 35O 3py 0.391470 -0.048345 -0.052249 0.013652 0.072799 0.065996 35O 1dz2 -0.021034 0.039756 0.097488 0.106456 -0.118684 0.074578 35O 1dxz 0.027238 0.007166 -0.032482 0.107130 -0.135507 -0.015439 35O 1dyz -0.010184 -0.024105 0.057783 -0.035190 0.049616 0.012994 35O 1dx2y2 -0.002822 0.016946 -0.027068 0.151708 -0.168195 0.058816 35O 1dxy 0.015725 0.023995 -0.078086 -0.069122 0.067676 -0.061239 35O 2dz2 -0.029544 -0.021960 0.067270 -0.015694 0.013282 -0.004814 35O 2dxz 0.027993 -0.001206 -0.066855 0.031413 -0.031036 0.016327 35O 2dyz 0.007604 0.011207 -0.073582 0.021585 -0.024449 -0.007937 35O 2dx2y2 0.027614 -0.007629 -0.090751 0.037201 -0.041931 0.002313 35O 2dxy 0.045201 0.005170 -0.158019 -0.045687 0.065996 -0.030657 35O 1f0 -0.005847 -0.020623 0.025822 -0.030281 0.057011 0.021979 35O 1f+1 -0.030298 -0.017803 0.142959 0.109616 -0.139090 0.057298 35O 1f-1 -0.006384 -0.016260 -0.022047 0.098101 -0.127480 0.013713 35O 1f+2 0.047074 -0.027872 0.097000 0.158434 -0.191736 0.059526 35O 1f-2 -0.038501 -0.007061 -0.166367 0.009932 -0.034826 -0.071169 35O 1f+3 0.012666 0.031797 0.069919 -0.234544 0.268409 -0.102745 35O 1f-3 0.002672 -0.016436 0.325523 -0.016606 0.029759 0.077309 666 667 668 669 670 671 6.00543 6.00879 6.01599 6.01868 6.02858 6.04856 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s -0.000054 0.000040 -0.002738 0.000005 0.000351 0.000546 0Rh 2s 0.000428 -0.000274 0.020176 0.000001 -0.002622 -0.003963 0Rh 3s -0.000076 0.000081 -0.004684 0.000028 0.000578 0.000972 0Rh 4s -0.002687 0.001735 -0.127409 -0.000015 0.016584 0.025177 0Rh 5s 0.007353 -0.004655 0.346069 0.000385 -0.045367 -0.069094 0Rh 6s -0.008934 0.005246 -0.404815 -0.002271 0.053844 0.082087 0Rh 7s 0.017520 0.000231 0.494933 0.036620 -0.047670 -0.047502 0Rh 8s -0.000787 -0.009562 -0.188705 -0.007654 0.042780 0.128530 0Rh 1pz 0.004417 -0.035069 0.042028 0.006977 -0.005954 -0.008779 0Rh 1px 0.000181 -0.012681 -0.118490 -0.001709 0.020765 0.032609 0Rh 1py -0.001246 -0.001958 -0.017991 0.000817 -0.001874 0.013171 0Rh 2pz -0.018413 0.146326 -0.175395 -0.029091 0.024833 0.036699 0Rh 2px -0.000760 0.052913 0.494464 0.007160 -0.086705 -0.136242 0Rh 2py 0.005204 0.008156 0.075039 -0.003405 0.007810 -0.055019 0Rh 3pz 0.059849 -0.478633 0.574125 0.094722 -0.080976 -0.121241 0Rh 3px 0.002560 -0.173186 -1.617750 -0.024156 0.284667 0.448705 0Rh 3py -0.017121 -0.026420 -0.244580 0.011021 -0.025363 0.180988 0Rh 4pz -0.077130 0.629875 -0.754562 -0.123275 0.105241 0.162599 0Rh 4px -0.003452 0.228541 2.122834 0.034791 -0.376568 -0.597230 0Rh 4py 0.022785 0.034057 0.317406 -0.013948 0.032536 -0.240398 0Rh 5pz 0.038758 -0.359559 0.417467 0.068205 -0.055291 -0.097657 0Rh 5px 0.001976 -0.133035 -1.162297 -0.028483 0.214385 0.347881 0Rh 5py -0.013263 -0.018030 -0.162662 0.006409 -0.016624 0.139607 0Rh 6pz -0.074912 0.026516 -0.048063 -0.043326 0.010974 0.096485 0Rh 6px -0.051372 0.026643 -0.050568 0.036930 -0.113047 -0.320245 0Rh 6py 0.014092 0.004049 -0.152339 -0.003648 0.014026 -0.097788 0Rh 1dz2 0.001810 0.000787 0.001031 0.002642 -0.007208 0.000685 0Rh 1dxz -0.000865 0.000627 0.001954 0.002097 -0.000184 -0.001275 0Rh 1dyz 0.004588 0.002711 -0.001415 -0.002001 -0.014863 0.002677 0Rh 1dx2y2 0.000223 0.000683 -0.003408 0.002700 -0.002423 0.001221 0Rh 1dxy 0.001682 0.000995 -0.001072 0.000451 -0.005504 0.000262 0Rh 2dz2 -0.000574 0.000082 0.001370 0.000967 0.002617 -0.000798 0Rh 2dxz 0.000455 0.000122 0.001542 0.000155 -0.000237 -0.000365 0Rh 2dyz -0.001192 -0.000538 0.000860 -0.000332 0.005221 -0.001196 0Rh 2dx2y2 0.000009 0.000068 -0.002312 0.000447 0.001725 0.000814 0Rh 2dxy -0.000438 -0.000151 -0.000913 0.000020 0.002278 0.000287 0Rh 3dz2 -0.006765 -0.004578 -0.012997 -0.018365 0.025738 0.000480 0Rh 3dxz 0.002277 -0.003816 -0.019058 -0.011694 0.002293 0.008808 0Rh 3dyz -0.018466 -0.011681 0.003046 0.012002 0.053645 -0.008363 0Rh 3dx2y2 -0.001246 -0.003876 0.030972 -0.016200 0.004271 -0.010872 0Rh 3dxy -0.006756 -0.004497 0.010802 -0.002444 0.018152 -0.003042 0Rh 4dz2 0.014405 0.011337 0.045851 0.044760 -0.056208 -0.006294 0Rh 4dxz -0.003015 0.009356 0.064922 0.027221 -0.008226 -0.025406 0Rh 4dyz 0.040875 0.026499 -0.001885 -0.028315 -0.115082 0.015905 0Rh 4dx2y2 0.003185 0.009148 -0.102524 0.038090 -0.001980 0.033845 0Rh 4dxy 0.014824 0.010253 -0.036861 0.005541 -0.036615 0.010995 0Rh 5dz2 -0.021338 -0.023273 -0.167021 -0.074899 0.075086 0.035395 0Rh 5dxz -0.005447 -0.019301 -0.226972 -0.043430 0.029223 0.065251 0Rh 5dyz -0.068102 -0.051418 -0.026054 0.047127 0.132590 -0.005915 0Rh 5dx2y2 -0.006448 -0.015038 0.348247 -0.057763 -0.036885 -0.093400 0Rh 5dxy -0.023184 -0.019307 0.125527 -0.007524 0.028820 -0.033952 0Rh 1f0 -0.000757 0.000984 -0.021076 0.001455 0.002193 0.006724 0Rh 1f+1 0.001821 -0.001568 0.017377 -0.001246 -0.002428 -0.004768 0Rh 1f-1 -0.001482 -0.008142 0.003869 0.000412 0.000037 0.000428 0Rh 1f+2 -0.001017 0.006987 0.026519 -0.000779 -0.004969 -0.006174 0Rh 1f-2 0.002195 0.003329 0.010610 0.000678 -0.001839 -0.002342 0Rh 1f+3 0.000107 -0.004401 0.031987 0.000895 -0.005081 -0.008803 0Rh 1f-3 -0.001118 -0.001355 0.018270 0.000044 -0.003812 -0.005900 1Rh 1s 0.000053 0.000061 0.002738 0.000025 -0.000349 -0.000544 1Rh 2s -0.000413 -0.000432 -0.020176 -0.000147 0.002611 0.003964 1Rh 3s 0.000079 0.000117 0.004687 0.000062 -0.000574 -0.000960 1Rh 4s 0.002596 0.002735 0.127413 0.000923 -0.016511 -0.025176 1Rh 5s -0.007066 -0.007365 -0.346064 -0.002169 0.045166 0.069136 1Rh 6s 0.008363 0.008392 0.404708 0.000736 -0.053608 -0.082461 1Rh 7s -0.013547 -0.003077 -0.493074 0.033023 0.046954 0.052795 1Rh 8s 0.002162 -0.009358 0.188658 -0.005553 -0.041960 -0.130779 1Rh 1pz 0.002177 0.035710 0.041915 -0.006995 -0.006382 -0.004376 1Rh 1px -0.000068 0.011795 -0.118341 0.000739 0.020781 0.034877 1Rh 1py -0.002042 0.001638 -0.018040 -0.001154 -0.002664 0.009944 1Rh 2pz -0.009067 -0.148998 -0.174926 0.029166 0.026618 0.018309 1Rh 2px 0.000278 -0.049216 0.493842 -0.003112 -0.086773 -0.145715 1Rh 2py 0.008522 -0.006823 0.075240 0.004810 0.011110 -0.041552 1Rh 3pz 0.029251 0.487376 0.572589 -0.094975 -0.086799 -0.060845 1Rh 3px -0.000772 0.161106 -1.615690 0.010901 0.284904 0.479862 1Rh 3py -0.027955 0.022081 -0.245222 -0.015622 -0.036181 0.137011 1Rh 4pz -0.036742 -0.641342 -0.752510 0.123670 0.112821 0.082588 1Rh 4px 0.000679 -0.212718 2.119999 -0.017350 -0.376920 -0.638713 1Rh 4py 0.036969 -0.028438 0.318189 0.020017 0.046804 -0.183099 1Rh 5pz 0.015335 0.365861 0.416141 -0.068693 -0.059394 -0.051164 1Rh 5px 0.000344 0.124372 -1.160273 0.018762 0.214623 0.372780 1Rh 5py -0.021176 0.015142 -0.162957 -0.009872 -0.024756 0.108512 1Rh 6pz -0.070612 -0.034347 -0.047299 0.044801 0.012536 0.097813 1Rh 6px -0.055273 -0.028980 -0.053769 -0.035315 -0.112224 -0.331508 1Rh 6py 0.015765 -0.004209 -0.150816 0.005524 0.015217 -0.077373 1Rh 1dz2 -0.001802 0.000588 -0.001078 0.002633 0.007179 -0.000715 1Rh 1dxz 0.000822 0.000603 -0.001938 0.002079 0.000209 0.001214 1Rh 1dyz -0.004726 0.002515 0.001384 -0.002058 0.014868 -0.002812 1Rh 1dx2y2 -0.000206 0.000616 0.003397 0.002718 0.002443 -0.001463 1Rh 1dxy -0.001746 0.000872 0.001070 0.000433 0.005512 0.000154 1Rh 2dz2 0.000512 0.000134 -0.001371 0.000961 -0.002611 0.000794 1Rh 2dxz -0.000482 0.000106 -0.001554 0.000140 0.000228 0.000354 1Rh 2dyz 0.001241 -0.000502 -0.000849 -0.000317 -0.005224 0.001236 1Rh 2dx2y2 -0.000052 0.000113 0.002308 0.000468 -0.001733 -0.000755 1Rh 2dxy 0.000443 -0.000103 0.000913 0.000035 -0.002277 -0.000420 1Rh 3dz2 0.007022 -0.003779 0.013249 -0.018282 -0.025615 -0.000300 1Rh 3dxz -0.001929 -0.003602 0.019033 -0.011522 -0.002382 -0.008437 1Rh 3dyz 0.018958 -0.010817 -0.002935 0.012237 -0.053655 0.008892 1Rh 3dx2y2 0.001359 -0.003757 -0.030891 -0.016408 -0.004342 0.011862 1Rh 3dxy 0.007069 -0.004088 -0.010786 -0.002424 -0.018193 0.001493 1Rh 4dz2 -0.015234 0.009558 -0.046443 0.044451 0.055944 0.005852 1Rh 4dxz 0.002112 0.008656 -0.064908 0.026661 0.008402 0.024564 1Rh 4dyz -0.041919 0.024460 0.001636 -0.028848 0.115103 -0.017047 1Rh 4dx2y2 -0.003567 0.009184 0.102331 0.038802 0.002120 -0.035961 1Rh 4dxy -0.015551 0.009512 0.036817 0.005602 0.036704 -0.007877 1Rh 5dz2 0.023389 -0.020147 0.168036 -0.073707 -0.074677 -0.035420 1Rh 5dxz 0.007278 -0.016939 0.227019 -0.041687 -0.029415 -0.062857 1Rh 5dyz 0.070063 -0.047283 0.026604 0.048143 -0.132486 0.007954 1Rh 5dx2y2 0.007335 -0.016453 -0.347896 -0.060187 0.036748 0.096934 1Rh 5dxy 0.024663 -0.018804 -0.125329 -0.008142 -0.028981 0.030110 1Rh 1f0 -0.000765 -0.001226 -0.021078 -0.001608 0.002118 0.006108 1Rh 1f+1 0.001674 0.001810 0.017387 0.001413 -0.002466 -0.004465 1Rh 1f-1 -0.002073 0.008095 0.003852 -0.000486 -0.000166 0.001071 1Rh 1f+2 -0.000611 -0.006825 0.026534 0.000978 -0.004975 -0.007402 1Rh 1f-2 0.002256 -0.003102 0.010651 -0.000572 -0.001984 -0.002751 1Rh 1f+3 -0.000060 0.004681 0.031996 -0.000674 -0.005045 -0.007948 1Rh 1f-3 -0.001221 0.001349 0.018255 0.000082 -0.003863 -0.005944 2C 1s 0.000103 -0.000329 0.000541 0.000676 -0.000708 0.000133 2C 2s 0.000255 -0.000517 0.000714 0.000317 -0.000511 -0.000093 2C 3s -0.004963 0.003043 0.007226 0.018007 -0.031203 0.020536 2C 4s -0.003833 -0.065098 -0.021764 -0.052175 0.106301 -0.093606 2C 5s -0.030870 0.071159 -0.205287 0.191974 -0.130724 0.115886 2C 1pz -0.001253 0.005208 -0.004741 0.003714 0.006140 0.002337 2C 1px 0.001006 -0.012074 0.021959 0.006414 -0.029998 0.004943 2C 1py -0.000284 -0.003081 0.003075 -0.015160 -0.003027 -0.002959 2C 2pz -0.017029 -0.125794 0.097184 0.000438 -0.106841 -0.029305 2C 2px -0.015844 0.139474 -0.210133 -0.058599 0.287848 -0.060634 2C 2py -0.014456 -0.016111 -0.006012 0.138448 -0.007323 0.032195 2C 3pz 0.002924 0.030890 -0.029616 0.042137 0.000588 -0.020718 2C 3px 0.009832 -0.034937 -0.036243 0.022285 -0.022265 0.027675 2C 3py -0.002812 -0.002766 -0.025665 -0.009402 -0.032701 0.061333 2C 1dz2 -0.000655 -0.000731 -0.003200 0.025894 0.014436 -0.000374 2C 1dxz 0.000551 0.003591 0.017446 0.019835 -0.036586 0.009437 2C 1dyz -0.000989 -0.000556 -0.003835 -0.013366 0.008873 -0.005314 2C 1dx2y2 0.001220 0.007416 -0.002915 0.019601 0.008248 -0.001621 2C 1dxy 0.000561 0.000803 0.010758 -0.009423 -0.026528 0.007514 2C 2dz2 0.000323 -0.044416 0.061128 0.013525 -0.035610 -0.042854 2C 2dxz -0.001067 0.009034 -0.036797 0.038471 -0.030447 0.044493 2C 2dyz -0.008804 -0.006791 -0.004076 0.022976 0.024677 0.016641 2C 2dx2y2 0.001954 0.045046 -0.066381 -0.020271 0.108281 -0.015302 2C 2dxy -0.005584 0.019478 -0.053530 -0.041246 0.048488 -0.040195 2C 1f0 0.000217 0.004767 -0.000076 0.032909 0.047186 -0.035745 2C 1f+1 0.000892 0.009341 0.000452 0.009235 -0.027455 0.036820 2C 1f-1 0.001502 -0.007842 0.007645 -0.009499 -0.003513 0.016256 2C 1f+2 0.001900 -0.006073 0.009251 0.019913 -0.042237 0.030141 2C 1f-2 0.001397 0.011334 -0.014173 -0.016670 -0.010164 -0.014791 2C 1f+3 -0.000094 0.003316 0.002086 0.040443 -0.009863 -0.025963 2C 1f-3 -0.003969 -0.003160 -0.003996 -0.033057 0.016799 -0.014977 3C 1s 0.000033 -0.000315 0.000637 -0.001020 0.000513 0.000066 3C 2s 0.000210 -0.000127 0.000766 -0.000360 0.000200 0.000120 3C 3s -0.001410 -0.010739 0.002303 -0.031186 0.032884 -0.000679 3C 4s -0.025177 0.078786 0.008357 0.093253 -0.125279 0.003227 3C 5s -0.050419 -0.045642 0.002607 -0.269819 0.148280 0.015709 3C 1pz 0.000189 0.003231 -0.010972 0.016097 -0.010254 -0.001700 3C 1px 0.000623 -0.006303 0.024887 0.005703 0.022690 -0.010293 3C 1py 0.000147 0.000723 0.004331 0.004728 0.001200 -0.003870 3C 2pz -0.021251 -0.024590 0.142342 -0.159151 0.121241 0.026645 3C 2px -0.016948 0.088471 -0.232518 -0.057922 -0.216842 0.093666 3C 2py 0.021962 -0.012249 -0.103202 -0.003839 -0.036012 0.050552 3C 3pz -0.000976 0.008525 0.019325 0.002778 0.011039 0.022226 3C 3px 0.000551 -0.024493 -0.015692 0.005416 0.058257 0.068675 3C 3py 0.007241 0.008597 -0.004802 0.051651 0.002858 0.036850 3C 1dz2 0.000384 0.001791 -0.010520 0.018785 -0.014495 -0.001091 3C 1dxz 0.001388 0.000074 0.017716 0.017539 0.026338 -0.003619 3C 1dyz -0.000907 -0.000917 0.011972 -0.019961 0.020839 -0.001532 3C 1dx2y2 0.002648 0.007234 0.004662 0.027113 0.011350 -0.005002 3C 1dxy 0.000394 -0.002873 -0.018010 0.007166 -0.024745 0.008376 3C 2dz2 0.002696 -0.013262 0.036079 -0.033639 0.036250 0.048939 3C 2dxz 0.000932 0.002358 0.041128 -0.008475 0.067604 -0.036920 3C 2dyz 0.001351 0.001972 -0.022348 0.000682 0.031755 0.010900 3C 2dx2y2 0.011427 0.016925 -0.092031 0.054493 -0.052567 0.032512 3C 2dxy 0.009081 -0.027655 0.062737 0.045352 0.002471 -0.089268 3C 1f0 0.002066 0.003850 -0.001400 0.031116 0.005938 0.036202 3C 1f+1 0.003563 0.004585 -0.016370 0.036106 -0.035703 -0.036428 3C 1f-1 -0.004028 0.002940 -0.007724 -0.017843 -0.001425 -0.021155 3C 1f+2 -0.004110 -0.001946 0.003009 -0.043445 0.026095 -0.022164 3C 1f-2 -0.000815 -0.009908 0.017978 -0.019604 0.019774 0.032741 3C 1f+3 0.000839 0.003362 0.014872 0.013476 0.051979 0.040359 3C 1f-3 0.003207 0.009570 0.001955 0.030452 0.041522 0.004268 4C 1s -0.001453 0.000909 -0.001822 -0.000871 0.000844 -0.000688 4C 2s -0.002585 0.000655 -0.002813 -0.001447 0.000953 -0.001134 4C 3s 0.056219 0.049714 0.002845 -0.006210 0.050517 0.000512 4C 4s -0.200249 -0.246979 0.036553 0.036702 -0.228624 0.028512 4C 5s -0.091713 -0.095749 0.029531 -0.073331 0.035437 -0.099056 4C 1pz 0.001887 0.034279 -0.042720 0.000009 0.088244 -0.017284 4C 1px 0.022898 -0.075033 0.148441 0.007072 -0.265260 0.064715 4C 1py 0.009869 -0.009552 0.029458 -0.007743 -0.049051 0.019498 4C 2pz -0.046752 -0.074654 -0.169937 0.187655 0.329545 -0.152495 4C 2px -0.058493 -0.224754 0.741217 0.091328 -1.283184 0.418876 4C 2py -0.059636 -0.167955 0.140885 -0.165439 -0.268128 0.029909 4C 3pz -0.022814 -0.002718 -0.189766 0.045631 -0.078109 0.041379 4C 3px -0.020608 -0.019454 0.205975 -0.028549 0.009628 -0.045679 4C 3py -0.004756 0.004402 -0.039367 0.097092 -0.026747 -0.021067 4C 1dz2 -0.009299 0.062373 -0.089085 0.090093 0.173745 -0.091898 4C 1dxz 0.006124 -0.088236 0.150318 0.029856 -0.294061 0.142837 4C 1dyz -0.003524 -0.019731 -0.003208 -0.055570 -0.020344 0.056879 4C 1dx2y2 0.011264 -0.009258 0.038656 0.047111 -0.061969 0.099754 4C 1dxy 0.006242 -0.056345 0.105602 0.038861 -0.141643 -0.082670 4C 2dz2 0.043453 -0.006742 -0.009791 0.009992 0.135943 -0.073357 4C 2dxz 0.004725 0.149492 -0.026637 -0.037883 -0.105542 0.086357 4C 2dyz 0.006505 0.020643 -0.004607 -0.021031 -0.009075 0.020549 4C 2dx2y2 -0.042975 -0.068247 0.030633 0.029663 -0.086076 0.007489 4C 2dxy -0.035053 0.056344 -0.001526 0.007178 -0.129010 0.058231 4C 1f0 -0.000187 0.002943 0.004150 -0.032517 -0.027632 -0.080011 4C 1f+1 0.000800 -0.006987 -0.016999 -0.160862 0.019538 0.088246 4C 1f-1 0.001906 0.019691 -0.018391 0.001406 0.011735 0.060714 4C 1f+2 -0.002265 0.021564 -0.042518 0.042762 0.101744 0.013886 4C 1f-2 0.000387 0.001896 0.030503 0.182246 0.039813 -0.083843 4C 1f+3 -0.011628 0.017169 -0.089015 -0.153759 0.218877 -0.202458 4C 1f-3 0.013289 0.084014 -0.039842 0.197526 0.141045 -0.069162 5C 1s -0.001297 -0.001069 -0.000027 0.000438 -0.001958 -0.000421 5C 2s -0.002362 -0.000685 -0.000246 0.000591 -0.003247 -0.000543 5C 3s 0.052859 -0.039509 -0.014444 0.020005 -0.013939 -0.013751 5C 4s -0.188189 0.217811 0.042741 -0.092206 0.144865 0.081105 5C 5s -0.075758 0.096944 0.047208 0.093283 -0.100282 0.030628 5C 1pz 0.007249 0.011850 -0.064994 0.004127 -0.074779 0.011209 5C 1px -0.000890 -0.045186 0.196823 0.020599 0.249284 -0.025511 5C 1py -0.010484 -0.001936 0.039693 0.002360 0.041186 -0.001868 5C 2pz -0.077129 0.124793 -0.296362 0.140618 -0.404510 0.009845 5C 2px 0.124149 -0.062253 0.989457 0.093908 1.228682 -0.038826 5C 2py 0.114863 -0.104586 0.085913 0.237845 0.177954 -0.047074 5C 3pz -0.046822 -0.003110 -0.046863 -0.099649 0.034655 0.008452 5C 3px 0.011328 -0.010583 0.225130 -0.044545 -0.070913 -0.032970 5C 3py 0.034274 -0.010945 -0.008649 0.038782 -0.040299 -0.047139 5C 1dz2 0.000476 0.028277 -0.061187 0.093957 -0.053699 0.110114 5C 1dxz -0.000200 -0.031466 0.064779 0.023996 0.031976 -0.198389 5C 1dyz 0.003667 -0.037437 0.098655 -0.033152 0.116504 -0.003930 5C 1dx2y2 0.019653 -0.019293 0.109946 0.073494 0.146589 -0.029718 5C 1dxy -0.006770 0.041922 -0.220137 -0.025296 -0.307517 -0.116301 5C 2dz2 0.015938 -0.042920 -0.021399 0.032912 -0.073692 0.004607 5C 2dxz 0.050658 0.004961 -0.029183 0.032239 0.044113 0.011842 5C 2dyz 0.012470 0.029933 0.014796 -0.012476 0.066638 0.003910 5C 2dx2y2 -0.022159 0.091355 0.063144 -0.038587 0.146851 0.051485 5C 2dxy -0.055868 -0.045209 -0.011383 -0.038364 -0.180351 -0.057611 5C 1f0 0.006749 -0.035169 0.105366 -0.067440 0.193484 0.144113 5C 1f+1 -0.023490 -0.024032 -0.068816 -0.232234 -0.150287 -0.143515 5C 1f-1 -0.003819 -0.020202 0.008830 -0.086981 -0.027313 -0.090043 5C 1f+2 0.010880 0.030643 -0.086610 0.167086 -0.161084 -0.072159 5C 1f-2 -0.015653 0.037777 -0.052431 -0.021224 -0.031825 0.118226 5C 1f+3 0.001477 0.002010 -0.045273 0.032561 -0.065350 0.180717 5C 1f-3 -0.022873 -0.011439 0.008521 -0.185932 -0.023221 0.048700 6C 1s 0.001349 -0.000956 0.000032 0.000436 0.001955 0.000184 6C 2s 0.002376 -0.000482 0.000241 0.000590 0.003248 0.000173 6C 3s -0.049982 -0.042988 0.015716 0.019124 0.014206 0.012383 6C 4s 0.171990 0.229166 -0.048917 -0.088431 -0.145536 -0.065898 6C 5s 0.067451 0.104502 -0.051817 0.090226 0.100078 -0.033251 6C 1pz 0.007569 -0.012016 -0.065359 -0.004454 -0.074649 0.013348 6C 1px -0.001945 0.047392 0.197396 -0.019554 0.248515 -0.034369 6C 1py -0.010192 0.001458 0.040059 -0.002287 0.041088 -0.003174 6C 2pz -0.068277 -0.134764 -0.293535 -0.143259 -0.402133 0.040518 6C 2px 0.125620 0.078767 0.992852 -0.085879 1.221700 -0.126437 6C 2py 0.110973 0.113208 0.082661 -0.234651 0.175427 -0.054613 6C 3pz -0.048815 0.001144 -0.046954 0.098348 0.034836 0.007922 6C 3px 0.009930 0.012498 0.225174 0.045937 -0.069378 -0.038525 6C 3py 0.035147 0.012489 -0.009369 -0.036611 -0.041332 -0.042863 6C 1dz2 -0.003061 0.029496 0.061158 0.094524 0.054033 -0.100273 6C 1dxz 0.001194 -0.031687 -0.065587 0.022664 -0.032605 0.174902 6C 1dyz -0.001632 -0.038978 -0.098540 -0.033753 -0.116281 0.008969 6C 1dx2y2 -0.020268 -0.021520 -0.110500 0.072436 -0.146039 0.032863 6C 1dxy 0.006449 0.044618 0.220543 -0.024590 0.306260 0.088605 6C 2dz2 -0.014236 -0.043191 0.022359 0.032709 0.073197 -0.015230 6C 2dxz -0.049633 0.001542 0.030696 0.031073 -0.042277 0.001100 6C 2dyz -0.013466 0.029091 -0.015027 -0.012879 -0.065076 0.008573 6C 2dx2y2 0.016973 0.092591 -0.065716 -0.038074 -0.145740 -0.027366 6C 2dxy 0.056535 -0.041239 0.009831 -0.037285 0.176449 0.022482 6C 1f0 0.004457 0.037506 0.104702 0.067079 0.192294 0.116861 6C 1f+1 -0.028909 0.023257 -0.070052 0.231934 -0.148826 -0.121842 6C 1f-1 -0.005975 0.020430 0.008616 0.087151 -0.026514 -0.077462 6C 1f+2 0.014802 -0.032147 -0.085786 -0.166671 -0.160161 -0.052252 6C 1f-2 -0.014265 -0.039032 -0.052585 0.020149 -0.032237 0.103810 6C 1f+3 0.001726 -0.002539 -0.046076 -0.033398 -0.065673 0.164462 6C 1f-3 -0.025864 0.011140 0.007632 0.185138 -0.022890 0.043888 7C 1s 0.001424 0.001027 0.001819 -0.000864 -0.000857 0.000610 7C 2s 0.002555 0.000855 0.002815 -0.001438 -0.000972 0.001018 7C 3s -0.057513 0.046780 -0.002947 -0.006024 -0.051277 -0.000071 7C 4s 0.205273 -0.237721 -0.035775 0.037939 0.231563 -0.029158 7C 5s 0.094647 -0.091587 -0.030008 -0.071803 -0.035826 0.092075 7C 1pz 0.004299 -0.034410 -0.042679 -0.000928 0.088583 -0.014677 7C 1px 0.016800 0.077179 0.148787 -0.006285 -0.266208 0.056111 7C 1py 0.008703 0.010167 0.029489 0.007536 -0.049041 0.017853 7C 2pz -0.042971 0.074311 -0.168800 -0.181636 0.326486 -0.129518 7C 2px -0.073763 0.221724 0.741366 -0.088496 -1.281404 0.351259 7C 2py -0.071328 0.165249 0.138722 0.169418 -0.269540 0.015079 7C 3pz -0.022264 -0.001905 -0.193081 -0.040433 -0.078607 0.032067 7C 3px -0.022045 0.018690 0.206352 0.031048 0.009864 -0.034438 7C 3py -0.002620 -0.005735 -0.040931 -0.093365 -0.027441 -0.022786 7C 1dz2 0.002839 0.062689 0.088114 0.090405 -0.173357 0.086239 7C 1dxz 0.000172 -0.088804 -0.150387 0.028370 0.293834 -0.135304 7C 1dyz 0.005319 -0.019113 0.004047 -0.055595 0.019148 -0.057053 7C 1dx2y2 -0.011628 -0.009957 -0.038719 0.047150 0.060210 -0.099675 7C 1dxy -0.002139 -0.057794 -0.106584 0.039145 0.145392 0.089940 7C 2dz2 -0.041198 -0.009552 0.009393 0.011626 -0.134108 0.061091 7C 2dxz -0.013180 0.150905 0.027369 -0.035301 0.100011 -0.064786 7C 2dyz -0.006176 0.020662 0.004999 -0.019453 0.008247 -0.020224 7C 2dx2y2 0.044176 -0.067051 -0.030660 0.027377 0.086927 -0.003938 7C 2dxy 0.029733 0.059084 0.001372 0.007559 0.127526 -0.043328 7C 1f0 -0.001224 -0.002835 0.004317 0.032103 -0.029235 -0.084529 7C 1f+1 -0.002977 0.005881 -0.018577 0.161220 0.021013 0.091140 7C 1f-1 0.003445 -0.019846 -0.018551 -0.001151 0.013474 0.061458 7C 1f+2 0.001059 -0.021648 -0.042386 -0.042841 0.102868 0.020015 7C 1f-2 0.003525 -0.000743 0.032187 -0.181955 0.037715 -0.079922 7C 1f+3 -0.012916 -0.018125 -0.090143 0.152744 0.216612 -0.196113 7C 1f-3 0.022431 -0.082307 -0.037760 -0.197870 0.141293 -0.063183 8C 1s -0.000008 -0.000332 -0.000641 -0.001002 -0.000523 -0.000032 8C 2s -0.000202 -0.000151 -0.000780 -0.000365 -0.000207 -0.000092 8C 3s 0.002232 -0.011294 -0.001916 -0.030066 -0.033165 0.002401 8C 4s 0.019480 0.083423 -0.011574 0.089336 0.125945 -0.010456 8C 5s 0.057620 -0.045745 0.001028 -0.262086 -0.149366 -0.003489 8C 1pz 0.000523 -0.003385 -0.010949 -0.016051 -0.010303 -0.001033 8C 1px 0.000534 0.006580 0.025048 -0.005497 0.022798 -0.009826 8C 1py 0.000264 -0.000733 0.004382 -0.004697 0.001182 -0.003559 8C 2pz -0.023178 0.024880 0.143570 0.158145 0.122595 0.020359 8C 2px -0.014590 -0.091947 -0.232872 0.055607 -0.217820 0.086602 8C 2py 0.020019 0.013801 -0.105927 0.003825 -0.036888 0.045609 8C 3pz -0.000740 -0.008473 0.019470 -0.003576 0.011664 0.018144 8C 3px -0.000194 0.024921 -0.016288 -0.006024 0.057746 0.063250 8C 3py 0.008919 -0.008832 -0.004238 -0.051010 0.002661 0.034797 8C 1dz2 -0.000804 0.001937 0.010329 0.018759 0.014252 -0.000364 8C 1dxz -0.001694 -0.000074 -0.017839 0.017618 -0.026089 0.004995 8C 1dyz 0.001239 -0.001165 -0.011945 -0.019865 -0.020862 0.003306 8C 1dx2y2 -0.003330 0.007133 -0.004752 0.026827 -0.011090 0.005897 8C 1dxy -0.000415 -0.002621 0.018248 0.007326 0.024794 -0.010322 8C 2dz2 -0.001813 -0.014179 -0.037159 -0.033347 -0.038050 -0.042593 8C 2dxz -0.001327 0.002131 -0.041351 -0.007570 -0.067164 0.037433 8C 2dyz -0.001154 0.001455 0.022288 0.000948 -0.032047 -0.006673 8C 2dx2y2 -0.012229 0.017452 0.093597 0.053738 0.054305 -0.030848 8C 2dxy -0.008592 -0.028356 -0.061905 0.044531 -0.001990 0.076714 8C 1f0 0.002717 -0.003942 -0.001641 -0.031143 0.005238 0.031901 8C 1f+1 0.004257 -0.004800 -0.015989 -0.035345 -0.035312 -0.029818 8C 1f-1 -0.004304 -0.003076 -0.007630 0.018041 -0.001157 -0.019339 8C 1f+2 -0.004831 0.002096 0.002976 0.042908 0.026230 -0.022054 8C 1f-2 -0.001364 0.010284 0.017876 0.019231 0.019932 0.028856 8C 1f+3 0.001165 -0.003108 0.014881 -0.013413 0.051226 0.032257 8C 1f-3 0.004087 -0.009410 0.002317 -0.030417 0.041403 0.000749 9C 1s -0.000085 -0.000351 -0.000551 0.000614 0.000724 -0.000135 9C 2s -0.000221 -0.000545 -0.000728 0.000270 0.000525 0.000082 9C 3s 0.004834 0.002970 -0.007338 0.017718 0.031613 -0.019784 9C 4s 0.005528 -0.064002 0.022507 -0.053282 -0.107087 0.090660 9C 5s 0.024573 0.076296 0.209953 0.182134 0.131511 -0.102087 9C 1pz -0.000831 -0.005333 -0.004647 -0.004153 0.006228 0.002674 9C 1px 0.000143 0.012284 0.022059 -0.006300 -0.030354 0.004395 9C 1py -0.000747 0.003093 0.003030 0.014834 -0.003175 -0.003050 9C 2pz -0.024262 0.126504 0.096777 0.006095 -0.109813 -0.031403 9C 2px -0.005443 -0.141931 -0.210736 0.057608 0.291800 -0.057275 9C 2py -0.012047 0.015957 -0.004715 -0.133161 -0.007426 0.033262 9C 3pz 0.005308 -0.031394 -0.030004 -0.040718 0.000178 -0.023221 9C 3px 0.007131 0.034999 -0.036981 -0.022703 -0.021935 0.023396 9C 3py -0.003024 0.001734 -0.026571 0.010327 -0.032139 0.060924 9C 1dz2 0.000261 -0.000728 0.003032 0.025765 -0.014395 -0.000842 9C 1dxz -0.001073 0.003219 -0.017862 0.019568 0.036880 -0.007778 9C 1dyz 0.001211 -0.000462 0.003857 -0.013016 -0.008735 0.004972 9C 1dx2y2 -0.002138 0.007337 0.002705 0.020019 -0.008328 0.001120 9C 1dxy -0.000429 0.000954 -0.010545 -0.009444 0.026080 -0.005877 9C 2dz2 0.002257 -0.044937 -0.060939 0.010813 0.036554 0.043246 9C 2dxz -0.000785 0.008406 0.035402 0.036873 0.031986 -0.040819 9C 2dyz 0.008334 -0.006832 0.003326 0.021963 -0.024102 -0.019048 9C 2dx2y2 -0.005076 0.045734 0.066151 -0.016874 -0.109070 0.012177 9C 2dxy 0.004701 0.021264 0.056367 -0.040605 -0.052583 0.042634 9C 1f0 0.001303 -0.004633 0.000317 -0.033505 0.046543 -0.033237 9C 1f+1 0.001850 -0.009483 0.000471 -0.009462 -0.026251 0.035737 9C 1f-1 0.000785 0.007815 0.007564 0.009156 -0.003048 0.016475 9C 1f+2 0.001703 0.006498 0.009445 -0.018897 -0.042267 0.028674 9C 1f-2 0.001957 -0.011325 -0.013939 0.015842 -0.010989 -0.016249 9C 1f+3 0.000803 -0.002901 0.002615 -0.039969 -0.011191 -0.026757 9C 1f-3 -0.004835 0.002861 -0.004061 0.032133 0.016428 -0.014518 10H 1s 0.004211 -0.015069 0.019952 0.026546 -0.061816 0.022331 10H 2s -0.005217 -0.094083 0.135225 0.051687 -0.224062 0.049570 10H 3s 0.006935 0.036993 -0.004743 -0.032535 0.059171 -0.042415 10H 1pz 0.000391 -0.020836 0.043920 0.021767 -0.066754 0.008693 10H 1px 0.000428 0.021584 -0.027597 -0.016070 0.058032 -0.021042 10H 1py 0.000048 -0.012180 0.022687 0.001198 -0.037006 0.008255 11H 1s -0.002614 0.001904 -0.006490 -0.013569 0.007989 0.005732 11H 2s -0.007613 0.003209 -0.009943 -0.069224 0.065086 -0.060220 11H 3s 0.014017 -0.017412 0.022389 0.000061 0.006309 -0.024880 11H 1pz -0.002063 -0.001286 -0.007043 -0.029010 0.019465 -0.024951 11H 1px -0.002250 0.003346 -0.005916 -0.009857 0.014747 -0.003319 11H 1py 0.001893 0.005004 -0.006032 0.008829 0.010431 -0.012863 12H 1s -0.001293 0.010952 -0.007622 0.042964 0.022637 -0.011809 12H 2s -0.002524 0.020135 -0.022869 0.065155 0.045975 0.035597 12H 3s 0.009017 -0.031409 0.031815 -0.036178 -0.011731 0.023375 12H 1pz 0.000960 0.004396 -0.005899 -0.002214 -0.001877 0.030024 12H 1px -0.001510 0.005331 -0.008823 0.003764 0.015832 0.000330 12H 1py -0.000873 0.009191 -0.009819 0.042664 0.016489 0.013097 13H 1s -0.002880 -0.009272 0.032640 -0.034759 0.061219 0.005116 13H 2s 0.000231 -0.038220 0.166420 -0.056110 0.184639 -0.041613 13H 3s 0.001541 0.024513 -0.024565 0.037714 -0.069345 -0.027860 13H 1pz 0.000474 -0.012670 0.050734 -0.017518 0.060280 -0.008768 13H 1px 0.000732 0.005234 -0.024041 0.017752 -0.037429 -0.007583 13H 1py 0.000119 0.012959 -0.043498 0.018960 -0.040309 0.028890 14H 1s -0.004111 -0.003474 -0.013565 -0.054387 -0.023898 -0.009325 14H 2s -0.010963 0.007952 -0.046509 -0.084689 -0.049969 0.088469 14H 3s 0.013939 -0.007677 0.025550 0.056637 0.016486 0.036387 14H 1pz -0.003407 -0.000040 -0.009782 -0.037465 -0.007099 0.025047 14H 1px -0.003565 0.000087 -0.020012 -0.035926 -0.022556 0.016096 14H 1py -0.001343 -0.001135 0.007602 -0.001405 -0.005540 -0.043383 15H 1s -0.000030 0.000455 -0.004738 0.003972 -0.002076 0.004523 15H 2s 0.011359 0.003504 -0.019487 0.071751 -0.055338 -0.048416 15H 3s 0.008846 -0.005619 0.005615 0.017397 -0.014284 -0.013123 15H 1pz -0.000497 0.000518 -0.003565 -0.005532 -0.004183 -0.010427 15H 1px -0.000156 0.000345 -0.009396 0.000462 -0.010327 -0.000075 15H 1py -0.003523 -0.002118 0.008617 -0.028840 0.017488 0.022492 16H 1s 0.411894 0.407017 -0.000609 -0.054812 -0.003051 -0.011310 16H 2s 0.356307 0.362768 0.065736 -0.044165 0.010682 -0.027914 16H 3s -0.089356 -0.083662 -0.002800 0.010197 0.015241 0.003818 16H 1pz 0.464907 0.463897 0.015893 -0.064049 0.004873 -0.016888 16H 1px -0.017498 -0.019668 0.000418 0.004739 -0.003375 0.005619 16H 1py 0.186495 0.187667 -0.002692 -0.021513 0.005870 -0.001499 17H 1s -0.410327 -0.410012 0.024515 0.044327 -0.003465 0.005093 17H 2s -0.343187 -0.347546 0.085274 0.048676 -0.030324 -0.011168 17H 3s 0.089163 0.082967 -0.009177 -0.014529 -0.004832 0.006437 17H 1pz 0.302767 0.303025 -0.030788 -0.033124 0.006076 -0.004650 17H 1px 0.295398 0.298488 -0.030955 -0.035518 0.010194 0.000026 17H 1py -0.253682 -0.256055 0.014320 0.031250 -0.007242 0.007083 18H 1s 0.432949 -0.386519 -0.020806 0.051497 0.004620 -0.004545 18H 2s 0.360086 -0.326474 -0.081664 0.055212 0.030117 0.012520 18H 3s -0.094191 0.078100 0.008257 -0.016657 0.004147 -0.006271 18H 1pz 0.326400 -0.292081 -0.028207 0.039541 0.006923 -0.003566 18H 1px 0.311523 -0.281531 -0.028275 0.041101 0.010786 0.000071 18H 1py -0.257768 0.232475 0.011127 -0.034705 -0.007452 0.007645 19H 1s -0.432632 0.382536 -0.002747 -0.061953 0.002613 0.009624 19H 2s -0.376155 0.341666 -0.068757 -0.051896 -0.012055 0.032440 19H 3s 0.093379 -0.078240 0.003288 0.012335 -0.014926 -0.003990 19H 1pz 0.484355 -0.432128 0.019730 0.072006 0.005675 -0.016281 19H 1px -0.022329 0.022124 0.000187 -0.005775 -0.003671 0.004800 19H 1py 0.207051 -0.186264 -0.000578 0.026509 0.006239 -0.001932 20H 1s -0.000135 0.000592 0.004982 0.004552 0.002289 -0.004226 20H 2s -0.012277 0.003692 0.019753 0.071081 0.056526 0.040743 20H 3s -0.008874 -0.006341 -0.006020 0.016382 0.014129 0.009941 20H 1pz -0.000626 -0.000518 -0.003676 0.005775 -0.004210 -0.009294 20H 1px -0.000216 -0.000405 -0.009534 -0.000466 -0.010553 0.000304 20H 1py -0.003988 0.002192 0.008773 0.028819 0.017889 0.019219 21H 1s 0.005129 -0.003410 0.013774 -0.053677 0.023341 0.007514 21H 2s 0.011649 0.008200 0.045831 -0.083174 0.048672 -0.080666 21H 3s -0.014644 -0.008319 -0.025812 0.055432 -0.016194 -0.033645 21H 1pz -0.003962 0.000108 -0.009718 0.037351 -0.006721 0.022396 21H 1px -0.004027 -0.000235 -0.019927 0.035024 -0.022029 0.015372 21H 1py -0.001390 0.001057 0.007634 0.001659 -0.005430 -0.038012 22H 1s 0.003576 -0.009724 -0.032626 -0.033921 -0.061251 -0.001164 22H 2s 0.001281 -0.040432 -0.167995 -0.055556 -0.186208 0.045047 22H 3s -0.002804 0.025262 0.023983 0.036655 0.069397 0.023407 22H 1pz -0.000050 0.013299 0.050822 0.016856 0.060307 -0.010543 22H 1px 0.001053 -0.005638 -0.024266 -0.017569 -0.037638 -0.004468 22H 1py 0.000819 -0.013609 -0.044043 -0.019008 -0.041106 0.027466 23H 1s -0.000188 0.010687 0.007222 0.041904 -0.021979 0.010779 23H 2s -0.000388 0.019665 0.020490 0.064214 -0.044868 -0.040052 23H 3s -0.006426 -0.031697 -0.031714 -0.035078 0.010872 -0.025147 23H 1pz 0.001254 -0.004368 -0.005727 0.002087 -0.001518 0.030194 23H 1px -0.001079 -0.005297 -0.008588 -0.003018 0.015594 0.001064 23H 1py 0.000582 -0.008918 -0.008895 -0.042194 0.015935 0.014943 24H 1s 0.002759 0.002041 0.006935 -0.014490 -0.008447 -0.006029 24H 2s 0.008657 0.004042 0.011402 -0.068244 -0.066846 0.058958 24H 3s -0.012369 -0.018771 -0.023022 0.001036 -0.005509 0.025428 24H 1pz -0.002709 0.000976 -0.007768 0.029021 0.019913 -0.025183 24H 1px -0.002225 -0.003504 -0.006153 0.010010 0.015257 -0.002914 24H 1py 0.002317 -0.005034 -0.006038 -0.009112 0.010692 -0.013407 25H 1s -0.003363 -0.015768 -0.019992 0.024549 0.062264 -0.019674 25H 2s 0.011476 -0.095780 -0.136204 0.047792 0.227614 -0.044394 25H 3s -0.009522 0.036741 0.004027 -0.031246 -0.059671 0.039593 25H 1pz -0.000983 0.021642 0.044512 -0.020722 -0.068292 0.007415 25H 1px 0.001842 -0.021995 -0.027633 0.014581 0.058452 -0.018903 25H 1py -0.000929 0.012134 0.022506 -0.000188 -0.036926 0.007327 26O 1s 0.000576 0.000707 -0.003570 0.000060 0.004544 -0.001594 26O 2s 0.001773 0.004050 -0.013608 -0.000122 0.019660 -0.006795 26O 3s -0.022733 -0.080057 0.185539 0.008245 -0.311850 0.106265 26O 4s 0.079062 0.216242 -0.408696 -0.034397 0.871464 -0.311244 26O 5s 0.121806 0.168217 -0.434846 -0.026377 0.488110 -0.089763 26O 1pz -0.005695 0.014094 -0.002915 0.016106 0.034231 0.005638 26O 1px -0.006804 0.015372 -0.071272 0.009734 0.104128 -0.014580 26O 1py -0.009758 0.014409 -0.038744 -0.035887 0.079130 -0.048071 26O 2pz 0.013948 -0.056844 0.057018 -0.065374 -0.196668 -0.009840 26O 2px -0.012698 -0.133034 0.339166 -0.024022 -0.630465 0.137800 26O 2py 0.018469 -0.076356 0.201317 0.150171 -0.428574 0.218076 26O 3pz -0.022300 -0.069635 0.087518 -0.016037 0.033289 0.000898 26O 3px -0.083683 -0.103758 0.125722 -0.006387 -0.191695 0.095358 26O 3py -0.058357 -0.066200 0.108545 -0.004221 -0.052812 -0.008935 26O 1dz2 0.003877 -0.016278 -0.018804 0.070018 -0.015754 0.006762 26O 1dxz 0.006009 0.026109 0.090882 0.069555 -0.041826 0.048128 26O 1dyz -0.002434 -0.038220 -0.077057 -0.014434 0.015069 0.061018 26O 1dx2y2 0.006796 0.030999 -0.054777 0.093142 0.030975 0.091359 26O 1dxy -0.006638 0.021626 -0.054927 -0.049575 0.141486 -0.162394 26O 2dz2 -0.000860 -0.029792 0.083731 0.006845 -0.122073 0.029476 26O 2dxz 0.001662 0.020812 -0.073555 0.030432 0.099139 -0.006616 26O 2dyz 0.004682 0.030637 0.008881 0.006391 0.037243 -0.025816 26O 2dx2y2 0.004337 0.041222 -0.043441 0.036256 0.097444 -0.015520 26O 2dxy 0.001510 0.048732 -0.104230 -0.056247 0.179458 -0.062918 26O 1f0 -0.004834 0.001807 -0.042787 -0.000752 0.023487 0.089756 26O 1f+1 -0.016554 0.024665 -0.052074 -0.136689 0.116172 -0.001423 26O 1f-1 -0.008654 -0.021852 -0.073434 -0.090359 0.087382 -0.055693 26O 1f+2 -0.001340 0.018224 -0.008756 -0.174862 -0.018636 -0.037358 26O 1f-2 0.008027 -0.033936 0.092132 0.009536 -0.076996 -0.036854 26O 1f+3 0.007732 0.046668 0.017029 0.194648 -0.036048 0.191041 26O 1f-3 -0.025054 0.091797 -0.158867 0.022368 0.304961 -0.197534 27O 1s -0.000343 0.000203 -0.004625 -0.000211 -0.004426 -0.000180 27O 2s -0.001395 0.001177 -0.017718 -0.000881 -0.019192 -0.000391 27O 3s 0.018648 -0.016821 0.246043 0.010251 0.305636 0.004764 27O 4s -0.036102 0.010978 -0.585487 -0.007266 -0.866036 -0.038123 27O 5s -0.022554 -0.125845 -0.495861 0.032006 -0.384602 -0.005368 27O 1pz 0.005142 0.007741 -0.007016 0.034177 -0.036125 -0.034838 27O 1px -0.004305 0.011010 -0.097350 0.000090 -0.116185 0.005578 27O 1py 0.001131 -0.011456 0.016272 0.026914 0.037249 -0.033907 27O 2pz -0.022112 -0.029299 0.053691 -0.138565 0.143244 0.125057 27O 2px 0.023911 -0.008091 0.503032 -0.012998 0.698381 0.002486 27O 2py -0.004723 0.019912 -0.135205 -0.102642 -0.225277 0.126750 27O 3pz -0.000341 -0.041804 0.046495 0.004217 -0.064267 -0.042334 27O 3px -0.029109 0.018081 0.239413 -0.023881 0.176762 0.053233 27O 3py 0.027465 0.029161 -0.114626 -0.000473 0.013533 -0.035956 27O 1dz2 0.017721 0.026359 0.073474 0.055184 0.101476 0.077308 27O 1dxz 0.008566 0.021963 0.012469 0.102591 -0.105419 -0.197855 27O 1dyz -0.003971 0.017402 0.135131 -0.048197 0.017108 -0.003406 27O 1dx2y2 0.000224 0.032427 -0.059165 0.059812 -0.105349 -0.029699 27O 1dxy 0.012936 0.005592 -0.049537 0.055844 -0.019942 -0.124243 27O 2dz2 0.000702 -0.019344 0.080933 -0.005109 0.112741 -0.012146 27O 2dxz 0.004306 0.005529 -0.043968 0.058240 -0.037258 -0.018096 27O 2dyz 0.001905 -0.012473 -0.044729 -0.014287 0.010458 0.021825 27O 2dx2y2 -0.002689 0.005280 -0.136293 0.016945 -0.170666 -0.007470 27O 2dxy 0.007271 -0.004748 0.107033 0.045338 0.123973 -0.024390 27O 1f0 0.005397 0.025431 -0.029445 0.122903 -0.101892 -0.169823 27O 1f+1 -0.016877 0.034094 -0.158057 -0.119607 -0.245294 -0.107765 27O 1f-1 0.010503 -0.010097 0.057848 0.103182 0.053663 0.003375 27O 1f+2 -0.009912 0.018934 0.067276 -0.124177 0.083669 0.196259 27O 1f-2 0.004501 0.054097 -0.086093 0.131601 -0.072237 -0.045659 27O 1f+3 0.012633 0.031714 -0.131050 0.165477 -0.208046 -0.070333 27O 1f-3 0.013250 -0.018825 0.111756 0.036811 0.086475 -0.212386 28O 1s 0.000112 -0.000256 0.003175 -0.000370 -0.004021 0.001445 28O 2s 0.000379 -0.001959 0.011778 -0.001148 -0.017323 0.006065 28O 3s -0.006495 0.034436 -0.155700 0.014711 0.268347 -0.096177 28O 4s 0.026131 -0.039744 0.317629 -0.049847 -0.697511 0.282844 28O 5s 0.019774 0.122027 0.398487 -0.043890 -0.332933 0.134362 28O 1pz 0.004998 -0.018308 0.036429 0.029785 -0.079844 -0.001042 28O 1px 0.000698 0.011127 -0.052804 0.020861 0.079533 -0.026683 28O 1py 0.000400 -0.022478 0.002193 -0.043046 -0.038988 0.034217 28O 2pz -0.026031 0.035936 -0.211376 -0.099624 0.457649 -0.070306 28O 2px 0.001942 -0.025957 0.226776 -0.094708 -0.434612 0.173906 28O 2py -0.004853 0.066820 -0.039722 0.177217 0.190197 -0.143149 28O 3pz -0.057882 0.054200 -0.207720 0.005499 0.073101 -0.072923 28O 3px 0.035706 0.052980 0.111233 -0.006769 -0.119225 0.085095 28O 3py -0.032235 0.033887 -0.064946 -0.005552 -0.021253 0.047360 28O 1dz2 -0.000773 0.015900 -0.011971 0.127819 0.007528 -0.039107 28O 1dxz 0.004341 0.021979 0.005252 -0.015970 0.048740 0.027920 28O 1dyz -0.006665 0.018053 0.083766 -0.109218 -0.083204 0.067173 28O 1dx2y2 0.001843 -0.014039 0.092109 -0.003327 -0.114477 0.084914 28O 1dxy 0.002096 0.051540 0.095662 0.110583 0.047391 -0.148701 28O 2dz2 0.004335 -0.002781 0.041542 0.048976 -0.054260 -0.002858 28O 2dxz -0.009981 0.026818 -0.118694 -0.010543 0.193174 -0.054291 28O 2dyz -0.000081 -0.032020 -0.010032 -0.037737 -0.043831 0.035151 28O 2dx2y2 0.002737 -0.015508 0.021086 -0.015173 -0.062296 0.019278 28O 2dxy -0.001675 0.005257 -0.061611 0.058304 0.069592 -0.022646 28O 1f0 -0.005125 -0.054699 -0.006360 -0.229728 -0.069849 0.027115 28O 1f+1 0.003197 -0.017301 0.098349 0.148943 -0.114019 -0.113284 28O 1f-1 -0.000467 0.095310 -0.032515 0.051250 0.083234 -0.035702 28O 1f+2 -0.009424 0.040236 -0.110140 -0.051770 0.211386 -0.067375 28O 1f-2 -0.001060 -0.063037 0.082875 -0.207267 -0.162021 0.153340 28O 1f+3 -0.008567 0.047535 -0.051624 -0.060854 0.117216 -0.080382 28O 1f-3 -0.000624 -0.008234 -0.001339 -0.112390 -0.104698 0.177091 29O 1s -0.000128 -0.000027 0.001090 0.000347 -0.000298 -0.000840 29O 2s -0.000379 -0.000032 0.001961 0.001082 -0.000735 -0.002345 29O 3s 0.005281 0.000784 -0.002516 -0.012698 0.006081 0.023226 29O 4s -0.013314 -0.000784 0.030449 0.031600 -0.026220 -0.084454 29O 5s 0.003051 -0.014171 -0.246705 -0.033836 0.082304 0.218683 29O 1pz -0.177603 -0.178763 0.001828 0.022263 0.000084 0.004295 29O 1px -0.064451 -0.065559 0.013474 0.008512 -0.001940 0.001229 29O 1py 0.015691 0.015750 -0.005897 -0.001306 0.001077 0.003232 29O 2pz 0.980605 0.984954 -0.018519 -0.125080 0.010595 -0.024330 29O 2px 0.357037 0.360957 -0.042610 -0.044275 0.009656 -0.005396 29O 2py -0.085440 -0.087181 0.039209 0.005509 -0.006274 -0.011500 29O 3pz -0.124731 -0.131894 -0.020691 0.016628 0.031449 0.031238 29O 3px -0.047373 -0.045245 0.115925 0.017585 -0.029410 -0.084338 29O 3py 0.011983 0.013379 0.068623 0.001401 -0.015128 -0.016196 29O 1dz2 -0.237097 -0.222178 -0.044976 0.044711 0.006285 0.018351 29O 1dxz 0.221027 0.206425 -0.058337 -0.026130 0.001083 0.002228 29O 1dyz -0.359823 -0.364100 0.008180 0.038276 -0.017383 0.011174 29O 1dx2y2 0.068024 0.062800 0.044808 0.006853 -0.007442 0.003115 29O 1dxy -0.159223 -0.162769 0.024447 0.014773 -0.011353 -0.007451 29O 2dz2 -0.132824 -0.139233 0.025815 0.010450 -0.006972 -0.004239 29O 2dxz 0.119411 0.127273 0.024195 -0.014028 0.001569 -0.008120 29O 2dyz -0.235174 -0.233006 0.007064 0.033249 0.000912 0.003798 29O 2dx2y2 0.032157 0.034395 -0.035235 -0.012190 0.007060 0.002042 29O 2dxy -0.103224 -0.102574 0.002468 0.012881 0.001264 0.006579 29O 1f0 0.028809 0.027392 0.001228 -0.003022 0.001674 0.002179 29O 1f+1 0.040395 0.038049 0.005568 -0.009500 0.003469 -0.006155 29O 1f-1 0.278725 0.272755 0.018045 -0.039229 -0.007000 -0.015307 29O 1f+2 -0.126898 -0.121858 0.014769 0.019885 -0.001583 -0.002598 29O 1f-2 -0.380048 -0.376529 0.030496 0.043650 -0.003799 -0.001938 29O 1f+3 0.120311 0.119158 0.002459 -0.007063 -0.001352 -0.005391 29O 1f-3 0.181647 0.179772 0.000126 -0.020327 -0.002474 -0.008032 30O 1s 0.000869 -0.000320 0.003811 0.000172 0.003685 0.000072 30O 2s 0.003064 -0.002115 0.014933 0.001100 0.016255 -0.000101 30O 3s -0.043881 0.046283 -0.209201 -0.024144 -0.259827 0.006485 30O 4s 0.136235 -0.123996 0.455964 0.087167 0.716764 -0.000639 30O 5s 0.176106 -0.133028 0.480489 0.095355 0.333253 -0.071377 30O 1pz 0.000721 0.002589 0.050041 0.050456 0.073680 0.030697 30O 1px -0.000987 0.003282 -0.062985 0.005347 -0.050096 0.014717 30O 1py 0.009460 0.015816 -0.045652 0.024496 -0.060362 0.037329 30O 2pz -0.038032 0.018314 -0.257643 -0.220802 -0.401264 -0.106708 30O 2px 0.044680 -0.055547 0.284003 0.002388 0.327536 -0.052744 30O 2py 0.002406 -0.080370 0.264478 -0.075267 0.371955 -0.149130 30O 3pz -0.062084 0.075693 -0.096875 -0.020138 -0.054418 0.035248 30O 3px 0.075363 -0.032991 0.095368 0.037602 0.165934 0.021169 30O 3py 0.084486 -0.069725 0.158747 0.023354 0.057181 0.050949 30O 1dz2 0.014360 0.004942 -0.086819 0.162532 0.021161 0.133144 30O 1dxz -0.011569 0.004534 -0.060359 -0.069732 -0.148823 -0.170303 30O 1dyz -0.010217 -0.003836 -0.091827 -0.050103 -0.060185 0.016715 30O 1dx2y2 0.010949 -0.003969 0.071196 0.065366 0.003072 -0.029134 30O 1dxy -0.004903 -0.042260 -0.056485 -0.071863 -0.004022 -0.115756 30O 2dz2 0.001961 0.022600 0.020433 0.056474 0.002160 0.026869 30O 2dxz -0.015209 0.022596 -0.094566 -0.055257 -0.108360 0.010357 30O 2dyz -0.015217 0.027753 -0.069377 -0.028243 -0.123671 -0.008275 30O 2dx2y2 -0.000805 0.001997 -0.023836 0.009536 -0.006522 0.021109 30O 2dxy 0.009168 -0.028665 0.142477 -0.025621 0.134350 -0.034970 30O 1f0 -0.012733 -0.068482 0.124854 -0.100933 0.159864 -0.003274 30O 1f+1 0.013915 0.031875 0.031023 0.194705 0.142334 0.269008 30O 1f-1 0.019539 0.038280 0.042251 0.265567 0.057832 0.081879 30O 1f+2 -0.005718 -0.009585 -0.018109 -0.042277 -0.073932 -0.117404 30O 1f-2 0.002159 0.032537 -0.208001 -0.046674 -0.231403 -0.014205 30O 1f+3 -0.017145 -0.002671 0.052135 -0.138297 0.017594 -0.112287 30O 1f-3 0.002616 0.014210 -0.023701 -0.025222 -0.048538 0.143095 31O 1s -0.000852 -0.000410 -0.003803 0.000135 -0.003649 0.000375 31O 2s -0.002979 -0.002452 -0.014915 0.000957 -0.016121 0.001672 31O 3s 0.042077 0.051129 0.208917 -0.022075 0.257979 -0.026610 31O 4s -0.130735 -0.137480 -0.454287 0.081657 -0.710945 0.056691 31O 5s -0.169433 -0.148478 -0.477571 0.089429 -0.329385 0.101746 31O 1pz 0.001948 -0.002416 0.050398 -0.050228 0.073277 0.023848 31O 1px -0.000910 -0.004034 -0.063115 -0.005830 -0.049679 0.018652 31O 1py 0.010427 -0.015870 -0.045756 -0.024829 -0.060239 0.035082 31O 2pz -0.041145 -0.022118 -0.258451 0.218784 -0.398414 -0.071255 31O 2px 0.042158 0.061546 0.283743 0.000490 0.324899 -0.075922 31O 2py -0.002576 0.084086 0.264240 0.077742 0.370129 -0.153637 31O 3pz -0.056821 -0.080387 -0.094985 0.018125 -0.054219 0.036945 31O 3px 0.072203 0.038698 0.093395 -0.036070 0.164309 0.004002 31O 3py 0.080571 0.076581 0.156778 -0.021690 0.057900 0.040429 31O 1dz2 -0.017229 0.005695 0.086363 0.163015 -0.020300 -0.125508 31O 1dxz 0.012921 0.005392 0.060383 -0.069948 0.147823 0.146011 31O 1dyz 0.010808 -0.002500 0.092074 -0.049251 0.059213 -0.025605 31O 1dx2y2 -0.011618 -0.004965 -0.071363 0.064381 -0.002575 0.029756 31O 1dxy 0.007858 -0.041932 0.056583 -0.072051 0.003026 0.094230 31O 2dz2 -0.003942 0.022668 -0.020762 0.056475 -0.002090 -0.021013 31O 2dxz 0.015044 0.024316 0.094740 -0.054267 0.107653 -0.016076 31O 2dyz 0.014706 0.029346 0.069499 -0.027579 0.123268 0.003522 31O 2dx2y2 0.000421 0.002378 0.023809 0.009783 0.006304 -0.021259 31O 2dxy -0.007396 -0.030862 -0.142284 -0.026715 -0.133629 0.042419 31O 1f0 -0.016510 0.069605 0.124802 0.101403 0.159838 -0.004653 31O 1f+1 0.018553 -0.031650 0.031457 -0.195237 0.140381 0.230192 31O 1f-1 0.026292 -0.038393 0.043781 -0.265026 0.057662 0.071949 31O 1f+2 -0.006772 0.008890 -0.017989 0.042653 -0.073008 -0.097926 31O 1f-2 0.002298 -0.034238 -0.208664 0.045435 -0.230245 0.000530 31O 1f+3 -0.019879 0.002879 0.051834 0.138708 0.017679 -0.107428 31O 1f-3 0.002770 -0.014188 -0.024337 0.024446 -0.049048 0.127252 32O 1s 0.000116 -0.000020 -0.001090 0.000332 0.000284 0.000900 32O 2s 0.000334 -0.000001 -0.001964 0.001044 0.000691 0.002523 32O 3s -0.004721 0.000262 0.002609 -0.012378 -0.005625 -0.025079 32O 4s 0.012319 0.000246 -0.030426 0.030523 0.025205 0.089465 32O 5s -0.002860 -0.013386 0.245084 -0.030968 -0.080489 -0.228643 32O 1pz -0.187669 0.168935 0.000536 -0.025582 -0.000332 0.003790 32O 1px -0.067357 0.061244 0.012896 -0.009529 -0.002173 0.000796 32O 1py 0.011927 -0.010760 -0.005626 0.000934 0.001175 0.003355 32O 2pz 1.035861 -0.930460 -0.011227 0.143493 0.012861 -0.022598 32O 2px 0.372528 -0.336631 -0.039432 0.050158 0.010546 -0.003812 32O 2py -0.064469 0.059269 0.037685 -0.003421 -0.006271 -0.011967 32O 3pz -0.132088 0.125425 -0.022077 -0.019415 0.030721 0.028934 32O 3px -0.051007 0.043568 0.114665 -0.017285 -0.029840 -0.085996 32O 3py 0.009836 -0.009938 0.068622 -0.001261 -0.014118 -0.020654 32O 1dz2 0.230548 -0.192300 0.047051 0.046949 -0.006376 -0.015911 32O 1dxz -0.241152 0.201932 0.056359 -0.031109 -0.001996 -0.005024 32O 1dyz 0.385379 -0.348535 -0.003720 0.046132 0.017682 -0.011552 32O 1dx2y2 -0.081587 0.067877 -0.045133 0.003974 0.006659 -0.002511 32O 1dxy 0.160751 -0.146315 -0.022440 0.016708 0.011742 0.004299 32O 2dz2 0.129987 -0.122267 -0.024375 0.011229 0.007135 0.003855 32O 2dxz -0.131495 0.124826 -0.024866 -0.017064 -0.001769 0.009795 32O 2dyz 0.251464 -0.222813 -0.005505 0.037870 -0.000184 -0.003302 32O 2dx2y2 -0.040621 0.038572 0.035159 -0.013412 -0.007048 -0.002050 32O 2dxy 0.103592 -0.092288 -0.001436 0.014073 -0.001252 -0.004795 32O 1f0 0.014350 -0.011927 0.000273 0.001269 0.001810 0.002694 32O 1f+1 0.053321 -0.045459 0.004719 0.011659 0.003958 -0.005695 32O 1f-1 0.286400 -0.250774 0.021103 0.043318 -0.006574 -0.013928 32O 1f+2 -0.133061 0.114386 0.012680 -0.022309 -0.001667 -0.003437 32O 1f-2 -0.406900 0.360060 0.027180 -0.050866 -0.004398 -0.001858 32O 1f+3 0.110324 -0.097658 0.004343 0.007350 -0.001150 -0.004340 32O 1f-3 0.195551 -0.173064 0.001696 0.024112 -0.002144 -0.007218 33O 1s -0.000080 -0.000269 -0.003167 -0.000388 0.003984 -0.001207 33O 2s -0.000174 -0.001996 -0.011755 -0.001206 0.017217 -0.005108 33O 3s 0.002677 0.034750 0.155470 0.015119 -0.267251 0.081774 33O 4s -0.018562 -0.039784 -0.316607 -0.048785 0.693385 -0.240125 33O 5s -0.020722 0.122249 -0.400950 -0.041642 0.329697 -0.107949 33O 1pz 0.003932 0.018766 0.036604 -0.029550 -0.080254 -0.004974 33O 1px 0.001818 -0.011201 -0.052738 -0.021197 0.079118 -0.023196 33O 1py -0.001871 0.022205 0.001701 0.043154 -0.038775 0.033983 33O 2pz -0.022702 -0.037601 -0.212186 0.100057 0.457573 -0.044677 33O 2px -0.003224 0.025369 0.226510 0.094736 -0.432375 0.150185 33O 2py 0.003234 -0.065907 -0.038026 -0.177372 0.189272 -0.138014 33O 3pz -0.050830 -0.057494 -0.207097 -0.005779 0.072211 -0.078448 33O 3px 0.035686 -0.051507 0.111157 0.005182 -0.117890 0.071880 33O 3py -0.028967 -0.036789 -0.064978 0.004823 -0.019889 0.046003 33O 1dz2 -0.003139 0.015085 0.010785 0.128291 -0.007252 0.037435 33O 1dxz -0.006514 0.021201 -0.005008 -0.016730 -0.050146 -0.031656 33O 1dyz 0.007627 0.018562 -0.083248 -0.109267 0.081482 -0.060539 33O 1dx2y2 -0.001101 -0.014615 -0.092030 -0.003893 0.113170 -0.082645 33O 1dxy -0.007673 0.049771 -0.097152 0.110791 -0.046191 0.149750 33O 2dz2 -0.004378 -0.003146 -0.041878 0.049087 0.054249 0.006630 33O 2dxz 0.007367 0.027622 0.118892 -0.010400 -0.192911 0.045880 33O 2dyz 0.003088 -0.031612 0.010364 -0.037465 0.044187 -0.034420 33O 2dx2y2 -0.000724 -0.015280 -0.021033 -0.015048 0.062575 -0.015908 33O 2dxy 0.000035 0.005454 0.061373 0.058528 -0.069431 0.018831 33O 1f0 -0.012873 0.053822 -0.007968 0.229268 -0.070752 0.025105 33O 1f+1 0.004116 0.018635 0.099796 -0.149390 -0.115729 -0.119503 33O 1f-1 0.007268 -0.094815 -0.031854 -0.050963 0.084402 -0.035662 33O 1f+2 -0.006646 -0.041070 -0.110711 0.051666 0.211448 -0.058742 33O 1f-2 -0.008863 0.062434 0.081109 0.208006 -0.160221 0.148593 33O 1f+3 -0.006014 -0.048109 -0.052192 0.060840 0.117382 -0.079706 33O 1f-3 -0.003151 0.007343 -0.002384 0.113048 -0.102180 0.173388 34O 1s 0.000340 0.000268 0.004631 -0.000185 0.004396 -0.000336 34O 2s 0.001384 0.001438 0.017754 -0.000779 0.019080 -0.001450 34O 3s -0.018823 -0.020497 -0.246866 0.008848 -0.304120 0.019896 34O 4s 0.038391 0.019336 0.588381 -0.004295 0.861771 -0.032131 34O 5s 0.031225 -0.121079 0.501389 0.035781 0.382181 -0.034820 34O 1pz 0.005704 -0.007721 -0.006728 -0.033933 -0.036060 -0.030127 34O 1px -0.003935 -0.012454 -0.097593 -0.000637 -0.115696 0.013221 34O 1py 0.001124 0.011738 0.016640 -0.026717 0.037377 -0.029352 34O 2pz -0.024739 0.029498 0.052613 0.137674 0.142651 0.105243 34O 2px 0.025139 0.015317 0.505427 0.015839 0.695068 -0.048109 34O 2py -0.006155 -0.021451 -0.137235 0.101416 -0.225283 0.119572 34O 3pz -0.002485 0.041770 0.045962 -0.004251 -0.063937 -0.032665 34O 3px -0.025084 -0.019266 0.241171 0.024840 0.175702 0.034534 34O 3py 0.026941 -0.027478 -0.114588 -0.000109 0.012725 -0.032686 34O 1dz2 -0.020541 0.025462 -0.073814 0.054489 -0.100782 -0.060071 34O 1dxz -0.011122 0.022545 -0.013578 0.100903 0.104247 0.173041 34O 1dyz 0.004593 0.015908 -0.134975 -0.048937 -0.016181 0.017508 34O 1dx2y2 -0.002527 0.033963 0.058875 0.059736 0.104880 0.023308 34O 1dxy -0.014037 0.005455 0.048621 0.055158 0.019278 0.106801 34O 2dz2 0.000012 -0.020603 -0.081324 -0.005467 -0.112354 0.016171 34O 2dxz -0.005343 0.006019 0.043594 0.058270 0.036936 0.011196 34O 2dyz -0.001392 -0.012250 0.044887 -0.013910 -0.010706 -0.024066 34O 2dx2y2 0.002947 0.006837 0.136692 0.017722 0.169945 -0.005003 34O 2dxy -0.008232 -0.006012 -0.107861 0.044541 -0.123588 0.029154 34O 1f0 0.008168 -0.026534 -0.028088 -0.121892 -0.100776 -0.145154 34O 1f+1 -0.017776 -0.036651 -0.158708 0.118926 -0.244098 -0.086622 34O 1f-1 0.011374 0.011014 0.058428 -0.102744 0.053089 0.000893 34O 1f+2 -0.011016 -0.018003 0.065936 0.123154 0.081906 0.159409 34O 1f-2 0.008489 -0.055519 -0.085018 -0.131645 -0.072450 -0.039349 34O 1f+3 0.016013 -0.033414 -0.130234 -0.165431 -0.207174 -0.049432 34O 1f-3 0.013157 0.020634 0.112766 -0.034820 0.086949 -0.194824 35O 1s -0.000627 0.000688 0.003578 0.000063 -0.004528 0.001337 35O 2s -0.002060 0.003999 0.013633 -0.000103 -0.019632 0.005763 35O 3s 0.028108 -0.079377 -0.185741 0.007755 0.311898 -0.090786 35O 4s -0.092090 0.212716 0.409069 -0.032543 -0.871600 0.265627 35O 5s -0.128193 0.162879 0.432328 -0.022228 -0.487083 0.062529 35O 1pz -0.004219 -0.014332 -0.002834 -0.016041 0.034948 0.007287 35O 1px -0.005110 -0.016128 -0.071340 -0.009988 0.104399 -0.009238 35O 1py -0.009253 -0.015314 -0.039070 0.035583 0.078923 -0.046712 35O 2pz 0.008363 0.057605 0.056635 0.065922 -0.198889 -0.019574 35O 2px -0.022559 0.133519 0.338806 0.025922 -0.631336 0.104243 35O 2py 0.015967 0.078878 0.202628 -0.148193 -0.427897 0.204001 35O 3pz -0.026191 0.068876 0.088083 0.015817 0.033299 0.015070 35O 3px -0.086081 0.098216 0.125101 0.007657 -0.190384 0.091078 35O 3py -0.061450 0.063025 0.108841 0.004369 -0.053398 -0.007956 35O 1dz2 -0.004024 -0.016231 0.018009 0.070635 0.016753 -0.004607 35O 1dxz -0.009259 0.025090 -0.091367 0.068012 0.040185 -0.046625 35O 1dyz 0.005482 -0.037364 0.077548 -0.013403 -0.014946 -0.066909 35O 1dx2y2 -0.010791 0.030733 0.053873 0.093081 -0.032431 -0.093489 35O 1dxy 0.006201 0.022109 0.055042 -0.048773 -0.139217 0.158726 35O 2dz2 0.002742 -0.030307 -0.083664 0.006249 0.122023 -0.025510 35O 2dxz -0.003737 0.020945 0.073271 0.031096 -0.099189 0.000855 35O 2dyz -0.007098 0.030196 -0.009041 0.006204 -0.037675 0.025690 35O 2dx2y2 -0.007873 0.040867 0.042902 0.036388 -0.097861 0.010283 35O 2dxy -0.003885 0.049283 0.104748 -0.055541 -0.179893 0.056066 35O 1f0 -0.004361 -0.002761 -0.043020 0.001134 0.024769 0.091800 35O 1f+1 -0.017003 -0.026586 -0.053373 0.136453 0.117119 0.001998 35O 1f-1 -0.012088 0.020618 -0.074367 0.089808 0.085852 -0.052021 35O 1f+2 -0.003115 -0.019175 -0.010085 0.174315 -0.018345 -0.044858 35O 1f-2 0.004761 0.035169 0.092378 -0.009170 -0.078534 -0.039979 35O 1f+3 0.015239 -0.045723 0.018775 -0.193961 -0.032500 0.194212 35O 1f-3 -0.017376 -0.093502 -0.158552 -0.023933 0.304022 -0.188523 672 673 674 675 676 677 6.04866 6.04920 6.05263 6.07604 6.08158 6.08891 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s -0.000014 -0.000008 -0.000045 0.000042 -0.000093 -0.000193 0Rh 2s 0.000088 0.000153 0.000465 -0.000373 0.000583 0.001579 0Rh 3s -0.000032 0.000042 -0.000001 0.000038 -0.000218 -0.000246 0Rh 4s -0.000579 -0.000908 -0.002898 0.002346 -0.003787 -0.010169 0Rh 5s 0.001605 0.002729 0.008518 -0.006631 0.010524 0.029795 0Rh 6s -0.001748 -0.005158 -0.013604 0.008900 -0.012939 -0.038582 0Rh 7s -0.003202 0.029203 0.074759 -0.013625 0.060925 -0.203480 0Rh 8s -0.013685 -0.019438 -0.020239 -0.022207 -0.021988 -0.462256 0Rh 1pz 0.005465 -0.023569 -0.018646 -0.005481 0.089210 -0.004255 0Rh 1px 0.000348 -0.017127 -0.005556 -0.017186 0.023666 -0.057393 0Rh 1py -0.000904 0.031726 -0.021632 0.086471 0.014889 -0.084395 0Rh 2pz -0.022845 0.098461 0.077806 0.022860 -0.372559 0.017649 0Rh 2px -0.001457 0.071551 0.023197 0.071769 -0.098808 0.240133 0Rh 2py 0.003781 -0.132419 0.090415 -0.361145 -0.062135 0.352751 0Rh 3pz 0.075545 -0.324029 -0.254090 -0.074291 1.221897 -0.055353 0Rh 3px 0.004871 -0.235578 -0.076188 -0.235340 0.323386 -0.796950 0Rh 3py -0.012538 0.433155 -0.298501 1.185057 0.202861 -1.163139 0Rh 4pz -0.101718 0.431676 0.331301 0.094928 -1.609074 0.064702 0Rh 4px -0.006805 0.314284 0.101600 0.309403 -0.422957 1.078317 0Rh 4py 0.017043 -0.567152 0.400960 -1.561981 -0.263952 1.548791 0Rh 5pz 0.062414 -0.256131 -0.180086 -0.046438 0.913336 -0.015856 0Rh 5px 0.005030 -0.188996 -0.064137 -0.173178 0.231042 -0.672351 0Rh 5py -0.011150 0.314567 -0.245787 0.887781 0.142402 -0.900810 0Rh 6pz -0.066063 -0.071036 0.078730 0.067883 -0.390325 -0.323708 0Rh 6px -0.006743 0.073245 0.116883 0.065896 -0.048726 1.270854 0Rh 6py 0.020770 -0.154990 -0.061029 -0.340945 -0.085476 0.566354 0Rh 1dz2 0.001823 -0.001079 0.001826 0.000938 -0.005454 0.000083 0Rh 1dxz -0.001270 0.000317 -0.001257 -0.000885 0.008412 0.004192 0Rh 1dyz 0.007831 -0.000539 -0.000976 -0.003836 0.000662 -0.001050 0Rh 1dx2y2 -0.000129 -0.001668 -0.000759 -0.003353 0.002016 -0.003996 0Rh 1dxy 0.002819 0.003379 0.000884 0.008290 0.002511 0.006464 0Rh 2dz2 -0.000102 0.000188 -0.000481 -0.000247 0.001690 0.001211 0Rh 2dxz 0.000739 -0.000288 0.000383 0.000370 -0.002598 0.000423 0Rh 2dyz -0.003237 0.000196 0.000164 0.001117 -0.000045 0.000532 0Rh 2dx2y2 0.000332 0.000253 0.000483 0.001001 -0.000627 -0.001385 0Rh 2dxy -0.001038 -0.001073 -0.000387 -0.002574 -0.000742 -0.002779 0Rh 3dz2 -0.009180 0.004741 -0.007281 -0.003728 0.020639 -0.006831 0Rh 3dxz 0.003157 -0.000323 0.004777 0.002893 -0.031875 -0.024700 0Rh 3dyz -0.026045 0.001930 0.004363 0.014950 -0.003304 0.002762 0Rh 3dx2y2 -0.000922 0.007620 0.001679 0.012929 -0.007607 0.028615 0Rh 3dxy -0.009975 -0.012619 -0.002804 -0.031361 -0.009694 -0.020095 0Rh 4dz2 0.022216 -0.010125 0.015001 0.007555 -0.042067 0.025589 0Rh 4dxz -0.004954 0.000357 -0.009650 -0.005506 0.064901 0.064506 0Rh 4dyz 0.054111 -0.003935 -0.009865 -0.031702 0.007557 -0.002340 0Rh 4dx2y2 0.003350 -0.017291 -0.002383 -0.026873 0.015492 -0.080338 0Rh 4dxy 0.021178 0.025319 0.005372 0.063707 0.020071 0.031227 0Rh 5dz2 -0.032427 0.007246 -0.018657 -0.008221 0.061242 -0.081403 0Rh 5dxz -0.001647 0.007452 0.013439 0.003202 -0.097759 -0.130450 0Rh 5dyz -0.051348 0.008918 0.014760 0.050253 -0.017242 -0.017046 0Rh 5dx2y2 -0.006796 0.032912 -0.001700 0.042397 -0.024586 0.182472 0Rh 5dxy -0.020775 -0.032755 0.005028 -0.096651 -0.029582 0.012399 0Rh 1f0 -0.002175 0.004793 -0.002406 0.010088 -0.003260 -0.016607 0Rh 1f+1 -0.000075 -0.001486 -0.001679 0.002014 0.002256 0.006762 0Rh 1f-1 0.001695 -0.002061 -0.008085 0.011541 0.013742 -0.010178 0Rh 1f+2 -0.000209 0.009147 0.000207 0.005242 -0.013973 0.012399 0Rh 1f-2 -0.000339 0.004742 -0.005310 0.010842 0.000552 -0.003128 0Rh 1f+3 -0.000277 -0.006078 0.000712 -0.005504 0.006072 0.018597 0Rh 1f-3 0.000203 0.001404 -0.002936 0.003329 -0.001106 0.006162 1Rh 1s 0.000011 0.000058 -0.000041 0.000044 -0.000103 0.000195 1Rh 2s -0.000077 -0.000323 0.000434 -0.000382 0.000657 -0.001590 1Rh 3s 0.000020 0.000159 0.000007 0.000042 -0.000240 0.000249 1Rh 4s 0.000498 0.002115 -0.002698 0.002402 -0.004260 0.010241 1Rh 5s -0.001408 -0.005573 0.007981 -0.006769 0.011814 -0.029992 1Rh 6s 0.001700 0.004725 -0.012996 0.009045 -0.014461 0.038806 1Rh 7s 0.001177 0.023231 0.073337 -0.016188 0.064254 0.202726 1Rh 8s 0.014276 -0.002211 -0.020973 -0.024568 -0.022013 0.462360 1Rh 1pz 0.002682 0.024668 0.018526 0.005602 -0.088824 -0.004097 1Rh 1px -0.001055 0.013192 0.005510 0.017740 -0.023625 -0.057283 1Rh 1py 0.001238 -0.033000 0.021302 -0.086313 -0.014575 -0.084821 1Rh 2pz -0.011222 -0.103059 -0.077305 -0.023365 0.370950 0.016991 1Rh 2px 0.004403 -0.055110 -0.023008 -0.074088 0.098636 0.239676 1Rh 2py -0.005160 0.137744 -0.089035 0.360485 0.060827 0.354527 1Rh 3pz 0.037333 0.339248 0.252442 0.075933 -1.216618 -0.053200 1Rh 3px -0.014409 0.181434 0.075598 0.243018 -0.322841 -0.795466 1Rh 3py 0.016683 -0.450720 0.293953 -1.182892 -0.198579 -1.168965 1Rh 4pz -0.050941 -0.452180 -0.329101 -0.097050 1.602103 0.061890 1Rh 4px 0.018873 -0.242221 -0.100921 -0.319741 0.422303 1.076412 1Rh 4py -0.021109 0.590641 -0.394895 1.559128 0.258345 1.556434 1Rh 5pz 0.032559 0.268621 0.178726 0.047531 -0.909336 -0.014354 1Rh 5px -0.010340 0.147003 0.064068 0.179544 -0.230897 -0.671403 1Rh 5py 0.009740 -0.328568 0.242196 -0.886166 -0.139387 -0.905071 1Rh 6pz -0.070179 0.054900 -0.075787 -0.066148 0.387829 -0.323059 1Rh 6px -0.002102 -0.035611 -0.121745 -0.077335 0.053840 1.270535 1Rh 6py 0.008431 0.166689 0.063355 0.339690 0.087136 0.571661 1Rh 1dz2 -0.001725 -0.001214 0.001882 0.000937 -0.005464 -0.000068 1Rh 1dxz 0.001301 0.000285 -0.001270 -0.000856 0.008462 -0.004196 1Rh 1dyz -0.007784 -0.001016 -0.000855 -0.003794 0.000620 0.001007 1Rh 1dx2y2 0.000287 -0.001516 -0.000705 -0.003342 0.001993 0.003985 1Rh 1dxy -0.003065 0.003073 0.000887 0.008301 0.002549 -0.006392 1Rh 2dz2 0.000094 0.000128 -0.000507 -0.000233 0.001694 -0.001216 1Rh 2dxz -0.000720 -0.000394 0.000385 0.000375 -0.002613 -0.000423 1Rh 2dyz 0.003215 0.000381 0.000117 0.001103 -0.000029 -0.000513 1Rh 2dx2y2 -0.000359 0.000322 0.000459 0.000983 -0.000620 0.001386 1Rh 2dxy 0.001117 -0.000917 -0.000393 -0.002584 -0.000752 0.002756 1Rh 3dz2 0.008703 0.005777 -0.007447 -0.003794 0.020666 0.006777 1Rh 3dxz -0.003405 0.000393 0.004838 0.002714 -0.032069 0.024727 1Rh 3dyz 0.025898 0.003593 0.003951 0.014791 -0.003157 -0.002629 1Rh 3dx2y2 0.000219 0.006426 0.001501 0.012963 -0.007516 -0.028565 1Rh 3dxy 0.010889 -0.011776 -0.002797 -0.031369 -0.009844 0.019825 1Rh 4dz2 -0.021139 -0.013162 0.015308 0.007798 -0.042081 -0.025475 1Rh 4dxz 0.005558 -0.002087 -0.009805 -0.005049 0.065329 -0.064576 1Rh 4dyz -0.053817 -0.007581 -0.009022 -0.031356 0.007263 0.002096 1Rh 4dx2y2 -0.001801 -0.013626 -0.002006 -0.027066 0.015252 0.080222 1Rh 4dxy -0.023015 0.024071 0.005387 0.063677 0.020352 -0.030668 1Rh 5dz2 0.031412 0.014577 -0.018591 -0.008795 0.060841 0.081205 1Rh 5dxz -0.000238 0.014933 0.013891 0.002404 -0.098641 0.130729 1Rh 5dyz 0.050695 0.013369 0.014243 0.050026 -0.017118 0.017338 1Rh 5dx2y2 0.004139 0.022463 -0.002388 0.043047 -0.023669 -0.182279 1Rh 5dxy 0.023076 -0.034184 0.004878 -0.096372 -0.029670 -0.013149 1Rh 1f0 -0.001790 -0.005689 0.002339 -0.010007 0.003302 -0.016634 1Rh 1f+1 -0.000268 0.002018 0.001690 -0.002070 -0.002238 0.006759 1Rh 1f-1 0.001278 0.002093 0.008050 -0.011531 -0.013663 -0.010189 1Rh 1f+2 0.000646 -0.008355 -0.000212 -0.005375 0.013932 0.012343 1Rh 1f-2 -0.000047 -0.004474 0.005282 -0.010853 -0.000529 -0.003134 1Rh 1f+3 -0.000852 0.006975 -0.000701 0.005410 -0.006054 0.018610 1Rh 1f-3 0.000248 -0.000668 0.002996 -0.003387 0.001108 0.006131 2C 1s 0.000203 -0.000050 0.000181 -0.000180 -0.000377 0.000062 2C 2s 0.000155 -0.000090 0.000077 -0.000031 -0.000198 0.001018 2C 3s 0.011180 0.003229 0.009582 -0.016226 -0.025587 -0.119311 2C 4s -0.026668 -0.007194 -0.038252 0.041679 0.062857 0.603761 2C 5s -0.004233 0.062773 0.162460 -0.135668 -0.128829 -0.296699 2C 1pz -0.008097 -0.004197 0.002717 0.006983 0.004905 -0.007458 2C 1px 0.015930 0.006519 0.002804 -0.011811 -0.016601 -0.013676 2C 1py 0.009148 0.004085 -0.008244 -0.006465 -0.001508 -0.012189 2C 2pz 0.124156 0.042722 -0.041606 -0.100797 -0.108050 0.171318 2C 2px -0.149229 -0.052773 -0.016975 0.091822 0.119979 0.181383 2C 2py -0.084262 -0.038713 0.094229 0.041658 -0.025666 0.229133 2C 3pz 0.025737 0.024461 -0.010912 -0.025899 -0.048153 -0.028452 2C 3px -0.006549 0.013360 0.010947 0.033494 0.104751 0.011177 2C 3py -0.045768 -0.017598 0.075808 -0.006573 0.024349 -0.046326 2C 1dz2 -0.015010 -0.010189 -0.000893 0.021331 0.031349 0.020373 2C 1dxz 0.020224 0.009625 0.017716 -0.034970 -0.060335 -0.017229 2C 1dyz 0.000368 0.000102 -0.007375 0.001568 0.005362 0.010409 2C 1dx2y2 -0.006288 -0.004995 0.002787 0.003623 0.002426 0.007155 2C 1dxy 0.014275 0.009610 0.012270 -0.025703 -0.045174 -0.016837 2C 2dz2 0.079624 0.029408 -0.063880 -0.038667 -0.034220 0.032543 2C 2dxz -0.029685 -0.000788 0.077396 -0.021419 -0.068220 0.035926 2C 2dyz -0.057531 -0.031354 0.037300 0.041050 0.030776 0.094757 2C 2dx2y2 -0.080059 -0.028368 -0.007581 0.081594 0.108037 0.061645 2C 2dxy 0.048910 0.023930 -0.056139 -0.047037 -0.018730 -0.010592 2C 1f0 -0.000882 -0.005768 -0.044017 0.027729 0.055863 0.039270 2C 1f+1 -0.021337 -0.008524 0.052558 -0.008657 -0.037077 -0.015657 2C 1f-1 -0.023683 -0.011133 0.022591 0.018758 0.018185 0.020923 2C 1f+2 -0.003776 -0.000050 0.039904 -0.014754 -0.037033 -0.014362 2C 1f-2 0.039609 0.024429 -0.017968 -0.043357 -0.056021 -0.018262 2C 1f+3 0.051881 0.021941 -0.036460 -0.039250 -0.041683 -0.019108 2C 1f-3 0.008065 0.004291 -0.026933 0.004426 0.017533 -0.016506 3C 1s -0.000281 0.000290 -0.000064 0.000296 -0.000106 -0.000479 3C 2s -0.000150 0.000191 0.000081 0.000186 0.000052 -0.001403 3C 3s -0.013643 0.014776 -0.004674 0.020820 -0.014882 0.083568 3C 4s 0.047227 -0.057218 -0.008007 -0.069934 0.046303 -0.469388 3C 5s -0.051197 0.115645 -0.083760 0.108346 -0.027795 0.154512 3C 1pz 0.002077 -0.007603 0.003668 -0.004386 0.000152 0.009954 3C 1px -0.019074 -0.001945 -0.008364 0.016782 -0.013987 -0.013222 3C 1py -0.004197 -0.002694 -0.001772 0.003471 -0.003736 -0.010938 3C 2pz -0.025510 0.075260 -0.044872 0.047392 -0.007430 -0.232727 3C 2px 0.188891 0.042534 0.061380 -0.130896 0.116725 0.116786 3C 2py 0.067831 0.036588 0.051115 -0.063420 0.061015 0.296008 3C 3pz 0.006990 0.036265 0.012106 0.033446 -0.014037 0.007518 3C 3px 0.020777 0.035662 0.007729 -0.112871 0.036324 -0.013861 3C 3py 0.018570 0.013704 0.022505 -0.041277 -0.002214 -0.019002 3C 1dz2 0.005064 -0.013630 0.005457 -0.018901 0.008994 0.007488 3C 1dxz -0.017701 0.011957 -0.010545 0.036966 -0.021715 -0.025539 3C 1dyz -0.010905 0.016114 -0.007966 0.027447 -0.015393 -0.000412 3C 1dx2y2 -0.013615 0.006511 -0.005124 0.033745 -0.019862 -0.012522 3C 1dxy 0.020014 -0.017808 0.014385 -0.052294 0.030920 0.024585 3C 2dz2 0.027955 0.054742 0.013911 -0.018712 0.029929 0.012352 3C 2dxz -0.080456 0.007601 -0.045959 0.113666 -0.091775 -0.130918 3C 2dyz -0.014047 0.028862 -0.005314 0.037453 -0.020545 0.022842 3C 2dx2y2 0.040717 0.007189 0.026826 -0.042367 0.019236 0.084026 3C 2dxy -0.071035 -0.093876 -0.018574 0.020721 -0.033921 0.013619 3C 1f0 0.023111 0.030453 0.017053 -0.016135 0.016224 0.016866 3C 1f+1 -0.012540 -0.053037 -0.005276 -0.007218 -0.004829 -0.001628 3C 1f-1 -0.015143 -0.010844 -0.012470 0.024580 -0.017372 -0.004592 3C 1f+2 -0.031130 0.004257 -0.023306 0.053791 -0.036280 -0.005663 3C 1f-2 0.018467 0.029560 0.012864 -0.027671 0.023152 0.016208 3C 1f+3 0.002936 0.064237 -0.000073 0.040463 -0.014742 -0.022826 3C 1f-3 -0.026759 0.028164 -0.015559 0.064914 -0.038448 -0.056949 4C 1s -0.001630 -0.000639 -0.000041 0.000720 0.001013 0.010158 4C 2s -0.002464 -0.000954 -0.000009 0.001036 0.001141 0.016084 4C 3s -0.003690 0.002272 -0.007772 0.021016 0.041315 -0.030730 4C 4s 0.073646 0.005390 0.011150 -0.103688 -0.197125 -0.383309 4C 5s -0.024443 -0.033664 -0.049789 0.037468 0.003698 0.437022 4C 1pz -0.037314 -0.018016 -0.021109 0.041481 0.069597 -0.019506 4C 1px 0.133206 0.060367 0.051412 -0.128888 -0.205271 -0.156796 4C 1py 0.021181 0.010091 0.013685 -0.020119 -0.034210 -0.072610 4C 2pz -0.177396 -0.135214 -0.123034 0.274086 0.429900 0.683525 4C 2px 0.630977 0.376483 0.545154 -1.012432 -1.709592 -0.991338 4C 2py 0.177141 0.112994 0.050139 -0.239155 -0.377574 -0.034316 4C 3pz -0.030333 0.054149 0.103287 -0.042467 0.025215 0.076940 4C 3px -0.013583 -0.091101 0.003163 -0.048431 -0.195458 0.028721 4C 3py 0.000759 0.004634 0.040290 -0.044017 -0.062435 0.150796 4C 1dz2 -0.033710 -0.022050 -0.087566 0.063237 0.115192 0.166423 4C 1dxz 0.044555 0.016747 0.165201 -0.105505 -0.205179 -0.100172 4C 1dyz -0.071724 -0.030450 0.083103 0.026526 0.015463 0.026634 4C 1dx2y2 -0.081257 -0.047595 0.134517 0.025409 -0.004520 -0.079722 4C 1dxy 0.266222 0.125660 -0.161301 -0.165253 -0.194223 -0.199766 4C 2dz2 -0.025321 -0.043122 -0.147000 0.159015 0.312238 0.057070 4C 2dxz 0.034341 0.085395 0.186223 -0.220517 -0.401420 -0.167640 4C 2dyz -0.026162 -0.006509 0.022091 0.030164 0.028967 -0.104820 4C 2dx2y2 0.041711 0.022493 0.024505 -0.061694 -0.124019 0.000046 4C 2dxy 0.070565 0.068014 0.126627 -0.229920 -0.359150 -0.143203 4C 1f0 0.168568 0.083331 -0.132361 -0.125033 -0.119708 -0.104565 4C 1f+1 -0.157411 -0.059175 0.112208 0.117831 0.119033 0.027535 4C 1f-1 -0.108052 -0.048496 0.104760 0.056191 0.028939 0.073960 4C 1f+2 -0.138885 -0.073558 0.053976 0.119016 0.141828 0.129053 4C 1f-2 0.082752 0.016159 -0.114510 -0.011729 0.043653 0.041568 4C 1f+3 0.092924 0.044912 -0.280022 0.022870 0.160578 0.059159 4C 1f-3 -0.028567 -0.038781 -0.059813 0.054157 0.101271 0.129273 5C 1s -0.000759 -0.001913 -0.000036 -0.000886 -0.000123 -0.008026 5C 2s -0.001280 -0.003034 -0.000024 -0.001465 -0.000331 -0.012766 5C 3s 0.031661 -0.007472 0.006030 -0.023861 0.025839 0.064070 5C 4s -0.093317 0.108590 -0.034699 0.135106 -0.112792 0.155542 5C 5s -0.030010 -0.038044 0.016890 0.012800 0.006132 -0.344337 5C 1pz 0.048973 -0.019935 0.025510 -0.065789 0.039716 0.082913 5C 1px -0.135990 0.079663 -0.067772 0.204899 -0.114134 -0.136675 5C 1py -0.028943 0.012616 -0.015293 0.037129 -0.022543 -0.088784 5C 2pz 0.192726 -0.273955 0.134437 -0.474284 0.266277 0.066978 5C 2px -0.712289 0.757070 -0.478207 1.635331 -0.947060 -1.216022 5C 2py -0.122061 0.058037 -0.039038 0.256859 -0.152776 0.095128 5C 3pz -0.036171 0.012344 -0.060500 -0.026636 0.031353 -0.057705 5C 3px -0.000275 0.023110 0.077088 0.195858 -0.045105 -0.031871 5C 3py 0.038279 -0.034528 0.040588 -0.014987 -0.028710 0.246167 5C 1dz2 0.104137 0.062279 0.071788 -0.108479 0.073089 0.027670 5C 1dxz -0.186216 -0.169036 -0.107556 0.169613 -0.124884 -0.196883 5C 1dyz -0.058903 0.047486 -0.032623 0.091790 -0.051773 -0.079120 5C 1dx2y2 -0.090368 0.028472 -0.042901 0.139841 -0.080222 -0.056940 5C 1dxy 0.066045 -0.221687 0.023843 -0.169987 0.084230 0.200796 5C 2dz2 0.059406 -0.082468 0.047595 -0.174857 0.116285 0.033299 5C 2dxz -0.023725 0.104001 -0.031593 0.165197 -0.111812 -0.009894 5C 2dyz -0.030040 0.104709 -0.058718 0.183181 -0.106821 -0.120581 5C 2dx2y2 -0.065860 0.199461 -0.090747 0.294289 -0.170486 -0.214356 5C 2dxy 0.060822 -0.283855 0.081842 -0.402425 0.203665 0.075431 5C 1f0 0.028587 0.219057 0.008568 0.064667 0.002015 -0.011070 5C 1f+1 -0.017761 -0.158864 -0.027891 -0.065464 0.002989 0.151667 5C 1f-1 -0.051891 -0.089504 -0.035523 0.004971 -0.026639 0.008193 5C 1f+2 0.011634 -0.167519 0.025756 -0.108578 0.039961 0.023770 5C 1f-2 0.109816 0.104411 0.062620 -0.079434 0.076913 0.099431 5C 1f+3 0.190303 0.113413 0.115582 -0.219591 0.173468 0.146338 5C 1f-3 0.066837 0.039787 0.029177 -0.115324 0.078746 0.126252 6C 1s 0.000928 -0.001898 -0.000010 -0.000885 -0.000132 0.008008 6C 2s 0.001541 -0.002990 0.000024 -0.001464 -0.000345 0.012717 6C 3s -0.030906 -0.012186 0.006008 -0.024542 0.026391 -0.063663 6C 4s 0.083144 0.127747 -0.036136 0.137829 -0.114837 -0.156793 6C 5s 0.032698 -0.032634 0.020982 0.013524 0.006337 0.340253 6C 1pz 0.047436 0.023391 -0.026645 0.065241 -0.039405 0.083245 6C 1px -0.129314 -0.090161 0.071224 -0.202806 0.112903 -0.137669 6C 1py -0.027826 -0.015242 0.015707 -0.036809 0.022374 -0.088907 6C 2pz 0.168531 0.291643 -0.139398 0.469735 -0.262306 0.070452 6C 2px -0.649672 -0.818681 0.495817 -1.621544 0.937976 -1.226578 6C 2py -0.118648 -0.063269 0.042910 -0.252439 0.151170 0.093885 6C 3pz -0.034942 -0.016131 0.061544 0.025065 -0.032232 -0.056570 6C 3px 0.001434 -0.018646 -0.076371 -0.196636 0.043866 -0.034387 6C 3py 0.034740 0.043358 -0.040638 0.016724 0.029287 0.244690 6C 1dz2 -0.110530 0.064459 0.075527 -0.106944 0.071767 -0.027997 6C 1dxz 0.203525 -0.173571 -0.113667 0.166945 -0.123440 0.197140 6C 1dyz 0.054509 0.053089 -0.033955 0.090721 -0.050820 0.079660 6C 1dx2y2 0.088572 0.033795 -0.045760 0.137991 -0.079294 0.057594 6C 1dxy -0.045308 -0.241688 0.024083 -0.168602 0.083358 -0.202417 6C 2dz2 -0.053329 -0.086509 0.049269 -0.175151 0.116101 -0.034333 6C 2dxz 0.015007 0.106290 -0.031800 0.163681 -0.111241 0.010734 6C 2dyz 0.021768 0.106450 -0.059722 0.182300 -0.106160 0.121969 6C 2dx2y2 0.048981 0.210550 -0.091854 0.294132 -0.170264 0.216372 6C 2dxy -0.037146 -0.293355 0.082921 -0.400267 0.202688 -0.077854 6C 1f0 0.049576 -0.233050 -0.010566 -0.064760 -0.002512 -0.012278 6C 1f+1 -0.032183 0.173180 0.029777 0.065066 -0.003877 0.152500 6C 1f-1 -0.060219 0.094321 0.037563 -0.004360 0.025842 0.008366 6C 1f+2 -0.004319 0.176904 -0.025385 0.108359 -0.038869 0.024831 6C 1f-2 0.120393 -0.107224 -0.066447 0.077559 -0.075869 0.099687 6C 1f+3 0.202456 -0.115936 -0.121828 0.216957 -0.171939 0.146764 6C 1f-3 0.071669 -0.039179 -0.031230 0.113707 -0.078768 0.126592 7C 1s 0.001688 -0.000572 -0.000087 0.000766 0.001077 -0.010159 7C 2s 0.002547 -0.000871 -0.000077 0.001104 0.001226 -0.016063 7C 3s 0.003984 0.003406 -0.007791 0.021512 0.042515 0.028574 7C 4s -0.075779 -0.000951 0.013335 -0.107661 -0.205413 0.392406 7C 5s 0.030143 -0.044181 -0.052348 0.040109 0.006483 -0.438246 7C 1pz -0.039104 0.015641 0.021700 -0.041292 -0.068966 -0.019277 7C 1px 0.139311 -0.052690 -0.053442 0.129360 0.204812 -0.156649 7C 1py 0.022157 -0.009851 -0.014495 0.020285 0.034373 -0.072672 7C 2pz -0.193842 0.130720 0.125624 -0.276055 -0.429756 0.682268 7C 2px 0.678044 -0.349736 -0.554278 1.015899 1.705128 -0.994290 7C 2py 0.190633 -0.096892 -0.049159 0.239373 0.375773 -0.035190 7C 3pz -0.024433 -0.061036 -0.102236 0.041451 -0.023840 0.072415 7C 3px -0.021892 0.095433 -0.002863 0.049173 0.194318 0.029140 7C 3py 0.001641 -0.001896 -0.037747 0.044211 0.063070 0.148279 7C 1dz2 0.036834 -0.027899 -0.091062 0.063639 0.115411 -0.166849 7C 1dxz -0.047202 0.026262 0.171164 -0.105586 -0.204458 0.100934 7C 1dyz 0.073275 -0.016979 0.085759 0.026473 0.015028 -0.025906 7C 1dx2y2 0.084301 -0.028426 0.139109 0.024956 -0.005735 0.080246 7C 1dxy -0.275453 0.088649 -0.165681 -0.165524 -0.192774 0.198516 7C 2dz2 0.033209 -0.047432 -0.148666 0.158982 0.311801 -0.058761 7C 2dxz -0.048404 0.089479 0.185989 -0.220673 -0.399854 0.166613 7C 2dyz 0.026992 -0.002146 0.023113 0.030017 0.028541 0.105000 7C 2dx2y2 -0.045076 0.018683 0.023755 -0.062219 -0.124523 0.001544 7C 2dxy -0.082294 0.066216 0.126962 -0.231674 -0.361044 0.145286 7C 1f0 0.175276 -0.057121 0.137169 0.124967 0.118252 -0.103508 7C 1f+1 -0.161848 0.033320 -0.117523 -0.118059 -0.117741 0.026268 7C 1f-1 -0.110840 0.030619 -0.107312 -0.056111 -0.028286 0.073468 7C 1f+2 -0.145174 0.057201 -0.055652 -0.118983 -0.140526 0.128246 7C 1f-2 0.080900 0.001367 0.117045 0.010994 -0.044899 0.042750 7C 1f+3 0.093980 -0.014338 0.288462 -0.023718 -0.161610 0.060484 7C 1f-3 -0.033107 0.042465 0.062915 -0.054330 -0.101482 0.130615 8C 1s 0.000257 0.000324 -0.000065 0.000304 -0.000106 0.000497 8C 2s 0.000132 0.000217 0.000089 0.000191 0.000054 0.001407 8C 3s 0.012560 0.016296 -0.005263 0.021167 -0.015098 -0.082728 8C 4s -0.042914 -0.062476 -0.005966 -0.070995 0.047083 0.466381 8C 5s 0.041093 0.122978 -0.087953 0.111574 -0.027065 -0.151376 8C 1pz 0.001221 0.008178 -0.003665 0.004367 0.000023 0.009968 8C 1px -0.019286 0.001092 0.008866 -0.016532 0.013800 -0.013339 8C 1py -0.004507 0.002796 0.001894 -0.003436 0.003721 -0.010984 8C 2pz -0.016918 -0.083034 0.044916 -0.047371 0.005666 -0.233353 8C 2px 0.192621 -0.032971 -0.066344 0.127848 -0.114652 0.117745 8C 2py 0.072453 -0.036385 -0.053240 0.063421 -0.060962 0.297850 8C 3pz 0.011070 -0.039428 -0.012922 -0.033207 0.014111 0.007400 8C 3px 0.024549 -0.040770 -0.008586 0.112264 -0.036205 -0.013610 8C 3py 0.020544 -0.016678 -0.024400 0.041790 0.002751 -0.018667 8C 1dz2 -0.003655 -0.014248 0.005467 -0.018684 0.008738 -0.007436 8C 1dxz 0.016783 0.013122 -0.010939 0.036622 -0.021556 0.025754 8C 1dyz 0.009467 0.017084 -0.008238 0.027371 -0.015259 0.000586 8C 1dx2y2 0.013176 0.007132 -0.005431 0.033442 -0.019800 0.012561 8C 1dxy -0.018602 -0.018818 0.014957 -0.052070 0.030724 -0.024960 8C 2dz2 -0.033109 0.059526 0.014793 -0.017001 0.029122 -0.010995 8C 2dxz 0.080375 0.010455 -0.047943 0.112332 -0.091249 0.131813 8C 2dyz 0.012299 0.031151 -0.006071 0.038271 -0.021106 -0.022059 8C 2dx2y2 -0.042229 0.006154 0.028620 -0.043433 0.019278 -0.085422 8C 2dxy 0.079220 -0.096946 -0.020459 0.018341 -0.032775 -0.015063 8C 1f0 0.026314 -0.032115 -0.018130 0.016285 -0.016162 0.017218 8C 1f+1 -0.017776 0.055931 0.006041 0.007365 0.004964 -0.001333 8C 1f-1 -0.016201 0.011535 0.013063 -0.024466 0.017114 -0.004507 8C 1f+2 -0.030961 -0.004836 0.024254 -0.053561 0.035958 -0.006181 8C 1f-2 0.021385 -0.031704 -0.013593 0.027085 -0.022923 0.015939 8C 1f+3 0.009157 -0.068431 -0.000566 -0.040033 0.014458 -0.022791 8C 1f-3 -0.024622 -0.031140 0.016144 -0.064657 0.038559 -0.057484 9C 1s -0.000207 -0.000055 0.000174 -0.000186 -0.000375 -0.000045 9C 2s -0.000149 -0.000117 0.000063 -0.000027 -0.000183 -0.001020 9C 3s -0.012088 0.004316 0.010358 -0.017335 -0.027043 0.120621 9C 4s 0.029828 -0.014273 -0.041483 0.046580 0.069295 -0.608342 9C 5s -0.006083 0.076584 0.163113 -0.139199 -0.135102 0.305855 9C 1pz -0.008492 0.003135 -0.002939 -0.006934 -0.004720 -0.007488 9C 1px 0.016221 -0.005292 -0.003315 0.011673 0.016576 -0.013638 9C 1py 0.009560 -0.002802 0.008416 0.006565 0.001558 -0.012181 9C 2pz 0.128304 -0.027707 0.044251 0.100149 0.105444 0.171657 9C 2px -0.150329 0.043124 0.022068 -0.090648 -0.119748 0.181259 9C 2py -0.087585 0.026309 -0.096670 -0.042420 0.025552 0.227498 9C 3pz 0.027996 -0.019367 0.012533 0.026369 0.048939 -0.029612 9C 3px -0.003215 -0.018684 -0.007747 -0.034028 -0.104020 0.010289 9C 3py -0.046590 0.006139 -0.078415 0.006557 -0.023871 -0.046826 9C 1dz2 0.016117 -0.008524 -0.000890 0.021337 0.031264 -0.020271 9C 1dxz -0.021321 0.008386 0.018352 -0.035002 -0.060330 0.017326 9C 1dyz -0.000366 -0.000477 -0.007562 0.001614 0.005437 -0.010572 9C 1dx2y2 0.006920 -0.004601 0.002963 0.003700 0.002466 -0.007279 9C 1dxy -0.015097 0.008633 0.012649 -0.025488 -0.044876 0.016463 9C 2dz2 -0.081328 0.016626 -0.066324 -0.038477 -0.032884 -0.032013 9C 2dxz 0.026140 0.007994 0.078051 -0.023091 -0.070841 -0.032560 9C 2dyz 0.059857 -0.023236 0.038817 0.041036 0.030210 -0.095049 9C 2dx2y2 0.082860 -0.021785 -0.007575 0.081838 0.107392 -0.061608 9C 2dxy -0.049637 0.014302 -0.060530 -0.044636 -0.014586 0.006672 9C 1f0 -0.001949 0.009271 0.045301 -0.027464 -0.055458 0.039141 9C 1f+1 -0.022337 0.002804 -0.054521 0.007943 0.036487 -0.015051 9C 1f-1 -0.024443 0.006929 -0.023078 -0.018949 -0.018412 0.021054 9C 1f+2 -0.003229 -0.003475 -0.041045 0.014929 0.037200 -0.015425 9C 1f-2 0.041336 -0.018500 0.017682 0.043219 0.056223 -0.018126 9C 1f+3 0.053717 -0.013940 0.037468 0.039768 0.042169 -0.019199 9C 1f-3 0.008631 -0.001927 0.027834 -0.004101 -0.017124 -0.016587 10H 1s 0.025727 0.012997 0.024931 -0.032809 -0.050910 -0.024734 10H 2s 0.135444 0.051395 0.034107 -0.143509 -0.213919 -0.138936 10H 3s -0.013700 -0.007607 -0.031220 0.025341 0.006466 0.066101 10H 1pz 0.049604 0.019386 0.001503 -0.047303 -0.065402 -0.052582 10H 1px -0.022759 -0.009672 -0.022882 0.031490 0.051749 0.024953 10H 1py 0.018967 0.009626 0.005594 -0.018728 -0.033136 -0.028692 11H 1s -0.008256 -0.003809 0.004111 0.003651 0.008688 -0.013113 11H 2s 0.047990 0.007144 -0.093671 -0.018508 0.028010 -0.026280 11H 3s 0.013281 0.012324 -0.031974 0.035548 0.025922 0.054472 11H 1pz 0.026390 0.010448 -0.040073 -0.011790 0.004499 -0.016547 11H 1px -0.004390 -0.003541 -0.007216 0.006343 0.012001 -0.006477 11H 1py 0.007528 0.005395 -0.015237 0.000606 0.004394 0.007004 12H 1s -0.004738 -0.003703 -0.010841 0.010484 0.012910 0.011896 12H 2s -0.133767 -0.062497 0.076366 0.104540 0.073515 0.107555 12H 3s -0.009286 -0.022582 0.017117 0.001104 0.050785 0.016862 12H 1pz -0.040806 -0.019251 0.043203 0.020351 0.013602 0.005418 12H 1px -0.016573 -0.007996 0.001557 0.016076 0.017385 0.006712 12H 1py -0.043145 -0.022949 0.026429 0.032410 0.025519 0.029854 13H 1s -0.025856 0.033659 -0.017204 0.041952 -0.024710 -0.029068 13H 2s -0.139811 0.043931 -0.073201 0.191838 -0.131251 -0.214951 13H 3s 0.017806 -0.034344 0.011595 0.009513 0.018908 0.030543 13H 1pz -0.037562 0.020030 -0.021705 0.057768 -0.034479 -0.050766 13H 1px 0.015203 -0.024397 0.008526 -0.026956 0.017927 0.030436 13H 1py 0.042940 0.004189 0.023887 -0.052020 0.037700 0.031335 14H 1s 0.011066 -0.011834 -0.000499 -0.018510 0.013487 0.033431 14H 2s 0.118849 0.060227 0.050209 -0.112022 0.110304 0.105905 14H 3s 0.002765 0.011380 0.027016 -0.046061 -0.009520 -0.061839 14H 1pz 0.027691 0.021293 0.011919 -0.027034 0.023746 0.025665 14H 1px 0.031309 0.005487 0.012233 -0.036113 0.030484 0.039220 14H 1py -0.031754 -0.039127 -0.019051 0.023945 -0.022003 -0.022778 15H 1s 0.004763 0.002771 0.003658 -0.005433 0.001394 0.018801 15H 2s -0.022949 -0.073769 0.003056 -0.005069 -0.021875 0.020074 15H 3s 0.003302 -0.026113 0.001112 -0.016251 0.027435 -0.057485 15H 1pz -0.005115 -0.009728 -0.004049 0.002978 -0.001851 -0.007615 15H 1px 0.006916 -0.005042 0.003110 -0.009870 0.008030 0.016371 15H 1py 0.013583 0.030964 0.001643 -0.003814 0.010709 -0.002547 16H 1s 0.002703 -0.008343 -0.011468 -0.009308 0.027206 0.002635 16H 2s -0.005053 0.032110 0.023368 0.000833 0.025105 0.048829 16H 3s -0.005789 -0.002113 -0.002851 0.010443 0.012507 0.000616 16H 1pz -0.001291 -0.001975 -0.001035 -0.007977 0.024626 0.011341 16H 1px 0.003726 0.008939 0.001622 0.003810 0.013988 -0.014188 16H 1py -0.001357 0.002862 -0.007082 -0.004780 0.010579 -0.013166 17H 1s 0.001146 0.004428 -0.006492 -0.000218 -0.032925 -0.015139 17H 2s 0.006936 0.003570 0.036402 -0.004144 0.010645 0.036665 17H 3s 0.010012 0.002154 -0.002163 0.014348 -0.004183 -0.001435 17H 1pz -0.001666 -0.007280 -0.007435 -0.004613 0.015714 0.010576 17H 1px -0.005992 -0.003210 0.006404 0.017007 0.007117 -0.002220 17H 1py 0.001620 -0.006101 0.000658 -0.000840 -0.014975 -0.022485 18H 1s -0.001476 0.004739 -0.005955 -0.000642 -0.033912 0.015520 18H 2s -0.006143 0.000486 0.036414 -0.004426 0.012948 -0.035391 18H 3s -0.010477 0.001756 -0.002330 0.014016 -0.004148 0.001909 18H 1pz -0.002104 0.007119 0.007837 0.004194 -0.016091 0.011380 18H 1px -0.005977 0.002545 -0.006218 -0.017312 -0.006550 -0.001380 18H 1py 0.000716 0.005791 -0.000584 0.001161 0.014793 -0.022762 19H 1s -0.002251 -0.009436 -0.011798 -0.008542 0.026651 -0.003468 19H 2s 0.001761 0.028732 0.023105 -0.000135 0.027229 -0.050206 19H 3s 0.006589 -0.001216 -0.002821 0.010489 0.012710 -0.001050 19H 1pz -0.000971 0.003755 0.001493 0.008015 -0.024803 0.012715 19H 1px 0.004398 -0.009148 -0.002127 -0.004208 -0.013482 -0.014526 19H 1py -0.000871 -0.003138 0.007161 0.004765 -0.011358 -0.012223 20H 1s -0.005170 0.002822 0.003923 -0.005595 0.001436 -0.018616 20H 2s 0.030729 -0.079062 0.002388 -0.005881 -0.022454 -0.020341 20H 3s -0.000567 -0.028473 0.000720 -0.016617 0.028005 0.057312 20H 1pz -0.006180 0.010670 0.004454 -0.002987 0.001797 -0.007433 20H 1px 0.006290 0.006072 -0.003206 0.009795 -0.007855 0.016619 20H 1py 0.016964 -0.033064 -0.002213 0.003548 -0.010882 -0.002416 21H 1s -0.009898 -0.013759 -0.000581 -0.017906 0.013397 -0.033217 21H 2s -0.124910 0.059784 0.053530 -0.108842 0.109126 -0.105551 21H 3s -0.004518 0.014997 0.028095 -0.046670 -0.009539 0.061254 21H 1pz 0.029980 -0.021823 -0.012737 0.026312 -0.023624 0.025608 21H 1px 0.031806 -0.004531 -0.012933 0.035114 -0.030037 0.038954 21H 1py -0.035564 0.041020 0.020192 -0.023407 0.021659 -0.022543 22H 1s 0.023064 0.036630 -0.017885 0.042034 -0.024607 0.030035 22H 2s 0.136160 0.054289 -0.076680 0.190780 -0.129888 0.217455 22H 3s -0.014559 -0.039081 0.012284 0.009128 0.018607 -0.031612 22H 1pz -0.035662 -0.022959 0.022523 -0.057211 0.033904 -0.051252 22H 1px 0.013286 0.026634 -0.008954 0.027210 -0.018004 0.031295 22H 1py 0.043499 -0.002523 -0.025137 0.051769 -0.037337 0.032025 23H 1s 0.005066 -0.004205 -0.011149 0.010090 0.012384 -0.010921 23H 2s 0.137682 -0.044628 0.079451 0.102914 0.070257 -0.103858 23H 3s 0.011380 -0.018718 0.017385 0.002025 0.051795 -0.018810 23H 1pz -0.041533 0.011623 -0.044288 -0.020004 -0.012967 0.005148 23H 1px -0.016694 0.006014 -0.001455 -0.015455 -0.016786 0.005935 23H 1py -0.044837 0.016939 -0.027637 -0.031901 -0.024344 0.028546 24H 1s 0.008720 -0.002315 0.004342 0.003749 0.008888 0.013089 24H 2s -0.048789 -0.004228 -0.098818 -0.018327 0.030212 0.022552 24H 3s -0.013878 0.008606 -0.033743 0.036510 0.026712 -0.054179 24H 1pz 0.027417 -0.005171 0.042299 0.011738 -0.005181 -0.015719 24H 1px -0.004519 0.003484 0.007849 -0.006218 -0.012284 -0.006234 24H 1py 0.008284 -0.003294 0.016600 -0.000453 -0.004483 0.006632 25H 1s -0.027779 0.012963 0.025075 -0.033235 -0.051144 0.025587 25H 2s -0.139767 0.042581 0.036722 -0.143738 -0.214168 0.140530 25H 3s 0.015967 -0.011944 -0.030743 0.025521 0.007365 -0.067877 25H 1pz 0.050962 -0.015057 -0.002648 0.047507 0.065775 -0.052960 25H 1px -0.024356 0.009754 0.023043 -0.031731 -0.051828 0.025649 25H 1py 0.019132 -0.008259 -0.006293 0.018310 0.032618 -0.028746 26O 1s -0.002341 -0.001175 -0.002440 0.005044 0.009276 0.005264 26O 2s -0.010173 -0.005229 -0.009052 0.018940 0.033951 0.021790 26O 3s 0.161522 0.085370 0.125503 -0.265779 -0.463135 -0.327757 26O 4s -0.443023 -0.251493 -0.365012 0.743318 1.279041 0.879874 26O 5s -0.216524 -0.150702 -0.253080 0.419511 0.714887 0.206055 26O 1pz -0.042346 -0.026672 0.031707 0.004290 -0.001222 0.055859 26O 1px -0.066548 -0.039475 -0.017559 0.072298 0.118945 0.092557 26O 1py -0.002173 0.007216 -0.059413 0.025732 0.030169 0.039479 26O 2pz 0.192846 0.115517 -0.077450 -0.104285 -0.128897 -0.203930 26O 2px 0.370149 0.225152 0.173370 -0.480323 -0.778754 -0.527495 26O 2py 0.070899 0.024194 0.288899 -0.203045 -0.333613 -0.214987 26O 3pz -0.031186 -0.107539 -0.036960 0.006783 0.026642 0.005655 26O 3px 0.073306 -0.006217 0.098900 -0.206173 -0.362749 -0.195950 26O 3py 0.031687 -0.003474 -0.036763 0.009426 -0.181476 -0.141745 26O 1dz2 0.062815 0.034823 -0.046398 0.028381 0.015253 -0.101935 26O 1dxz -0.106175 -0.037049 0.141654 0.037200 -0.048594 0.145661 26O 1dyz -0.083430 -0.051754 0.020140 0.100436 0.184706 -0.049999 26O 1dx2y2 -0.150586 -0.063676 0.121299 0.132281 0.090070 0.055318 26O 1dxy 0.124118 0.051845 -0.225672 -0.015845 0.087171 0.042667 26O 2dz2 0.042060 0.016543 0.053098 -0.091655 -0.129739 -0.052996 26O 2dxz -0.065436 -0.043245 -0.016089 0.080390 0.144326 0.059049 26O 2dyz -0.015502 -0.003664 0.001360 0.009986 -0.006101 0.081213 26O 2dx2y2 -0.076321 -0.048127 0.006772 0.054998 0.093700 0.121172 26O 2dxy -0.077801 -0.034959 -0.073611 0.101725 0.174004 0.128450 26O 1f0 -0.169746 -0.062701 0.135483 0.136687 0.102628 0.118133 26O 1f+1 -0.116110 -0.034794 0.010317 0.103612 0.122627 0.066777 26O 1f-1 0.031060 0.019676 -0.129843 0.053296 0.133277 -0.042238 26O 1f+2 0.081889 0.073147 -0.053075 -0.078439 -0.143564 -0.093008 26O 1f-2 0.133858 0.058300 -0.092176 -0.063840 -0.068396 -0.175358 26O 1f+3 -0.261776 -0.142578 0.314694 0.110825 0.032906 0.095075 26O 1f-3 0.009482 -0.001442 -0.220360 0.048910 0.172155 0.214889 27O 1s 0.002502 -0.004165 0.001429 -0.008858 0.004743 0.004228 27O 2s 0.010690 -0.015121 0.006269 -0.032404 0.017636 0.016382 27O 3s -0.168550 0.205952 -0.101700 0.440744 -0.244797 -0.245154 27O 4s 0.472504 -0.588845 0.305527 -1.204913 0.682443 0.707625 27O 5s 0.239331 -0.339054 0.206193 -0.650196 0.355132 0.540479 27O 1pz -0.013524 -0.036406 -0.011016 0.035523 -0.008935 -0.034329 27O 1px 0.055004 -0.065675 0.034204 -0.112454 0.064485 0.028822 27O 1py -0.040281 -0.030817 -0.026202 0.021952 -0.009698 -0.017454 27O 2pz 0.044216 0.157040 0.030157 -0.079300 0.029379 0.099584 27O 2px -0.352445 0.432712 -0.236842 0.774866 -0.442429 -0.384984 27O 2py 0.208317 0.035462 0.133638 -0.241961 0.141507 0.186628 27O 3pz 0.023326 -0.073049 0.022299 0.004244 0.090798 0.007134 27O 3px -0.115148 0.144850 -0.055010 0.362391 -0.191223 -0.423912 27O 3py -0.008868 0.001616 -0.088004 -0.005881 0.054600 -0.018165 27O 1dz2 0.024167 0.128660 0.014483 0.062347 -0.057360 -0.040638 27O 1dxz -0.125993 -0.195221 -0.056549 0.075251 -0.116850 -0.062761 27O 1dyz -0.008839 0.117543 -0.019882 0.177092 -0.062465 -0.009939 27O 1dx2y2 0.026473 -0.060535 0.021450 -0.049735 -0.011091 0.024882 27O 1dxy -0.110886 -0.133808 -0.055487 0.084204 -0.088547 -0.090225 27O 2dz2 -0.073928 0.040314 -0.043739 0.116516 -0.048474 -0.076933 27O 2dxz 0.001200 -0.056288 0.003025 -0.030735 0.023663 -0.016178 27O 2dyz 0.011833 -0.018923 0.009882 -0.068929 0.027038 0.003476 27O 2dx2y2 0.074940 -0.104112 0.045177 -0.158631 0.101651 0.079181 27O 2dxy -0.084201 0.043660 -0.050790 0.160282 -0.092621 -0.110289 27O 1f0 -0.105946 -0.192700 -0.052222 0.070082 -0.081154 -0.113887 27O 1f+1 0.032358 -0.167228 0.003747 -0.116897 0.026501 0.108016 27O 1f-1 -0.022841 0.022021 -0.015458 0.077844 -0.001178 -0.048457 27O 1f+2 0.129475 0.285015 0.060858 0.015073 0.035111 0.113315 27O 1f-2 -0.028849 -0.054911 -0.019563 0.079081 -0.042764 -0.107228 27O 1f+3 0.035244 -0.175711 0.025850 -0.108501 0.049985 0.056961 27O 1f-3 -0.206341 -0.125091 -0.115241 0.249653 -0.195401 -0.087422 28O 1s 0.001800 0.000902 0.002621 -0.004582 -0.008634 -0.003525 28O 2s 0.008049 0.004262 0.009468 -0.017160 -0.031275 -0.013583 28O 3s -0.128588 -0.072270 -0.127219 0.236861 0.416551 0.203791 28O 4s 0.337669 0.214444 0.362117 -0.637373 -1.099292 -0.582633 28O 5s 0.173460 0.146234 0.167934 -0.313019 -0.538694 -0.507756 28O 1pz 0.059667 0.036076 -0.004788 -0.038122 -0.060061 0.009324 28O 1px -0.021499 -0.013592 -0.044226 0.054786 0.091796 0.026503 28O 1py -0.016352 -0.008160 0.037110 -0.001254 0.015885 -0.000509 28O 2pz -0.306149 -0.188504 -0.073517 0.312892 0.491524 0.185510 28O 2px 0.150622 0.110645 0.237558 -0.322098 -0.544996 -0.267181 28O 2py 0.039058 0.006249 -0.164858 0.037813 0.040935 0.069737 28O 3pz -0.022825 0.074914 -0.064915 0.096893 0.142083 0.229266 28O 3px 0.088416 0.068805 0.085031 -0.134927 -0.279484 -0.343931 28O 3py -0.019185 -0.004001 0.050581 -0.073672 0.041409 -0.045987 28O 1dz2 0.059415 0.003987 -0.052352 -0.081553 -0.026744 -0.012562 28O 1dxz -0.129676 -0.058633 0.080207 0.061797 0.069959 0.064869 28O 1dyz -0.051799 0.001321 0.134838 -0.036139 -0.172503 -0.054902 28O 1dx2y2 -0.068852 -0.028430 0.138695 -0.037179 -0.077795 -0.024151 28O 1dxy 0.163482 0.058693 -0.149530 -0.123764 -0.113031 -0.013592 28O 2dz2 0.061243 0.032231 -0.006658 -0.039685 -0.086882 -0.028483 28O 2dxz -0.083908 -0.047771 -0.067540 0.127973 0.201270 0.098406 28O 2dyz 0.006137 0.003693 0.017422 -0.009933 0.004924 -0.040218 28O 2dx2y2 0.045837 0.026477 0.006092 -0.025114 -0.052741 -0.039876 28O 2dxy -0.020276 -0.016532 -0.046193 0.055831 0.100973 0.045332 28O 1f0 0.038412 0.025356 -0.006997 -0.056194 -0.023898 -0.140196 28O 1f+1 0.256065 0.103357 -0.152969 -0.201613 -0.215616 -0.029416 28O 1f-1 -0.002584 -0.004083 -0.012638 -0.033774 -0.047306 -0.038088 28O 1f+2 -0.089042 -0.046965 -0.064535 0.086392 0.193031 0.106517 28O 1f-2 -0.119410 -0.038143 0.226048 -0.001579 -0.085081 -0.002816 28O 1f+3 0.009021 0.016691 -0.076225 -0.002697 0.012769 0.043290 28O 1f-3 -0.166721 -0.058822 0.252620 0.045411 -0.055458 -0.004039 29O 1s 0.000021 0.000379 0.000620 0.000192 0.000195 0.003242 29O 2s 0.000024 0.001095 0.001875 0.000660 0.000559 0.009787 29O 3s 0.000383 -0.011014 -0.020031 -0.009831 -0.005157 -0.109661 29O 4s 0.000764 0.031588 0.052136 0.025072 0.016975 0.356997 29O 5s -0.012109 -0.070368 -0.095494 -0.010230 -0.061926 -0.742728 29O 1pz 0.000045 0.002714 0.000481 0.001535 -0.014028 -0.003662 29O 1px 0.000031 0.002786 0.001509 -0.000125 -0.005377 -0.008984 29O 1py 0.000033 -0.001229 0.002668 -0.003315 0.000392 -0.009784 29O 2pz -0.004157 -0.008691 -0.001992 -0.005283 0.057011 0.022839 29O 2px -0.002423 -0.009725 -0.006341 0.005617 0.019859 0.023695 29O 2py 0.001629 0.002863 -0.008673 -0.000772 -0.002117 0.020960 29O 3pz -0.002229 0.024215 -0.018059 0.000910 0.019868 -0.098513 29O 3px 0.001820 0.018274 0.005571 -0.025863 0.007478 0.246724 29O 3py 0.002752 0.027465 0.038563 0.025792 0.022327 0.033183 29O 1dz2 -0.002248 0.012277 0.006915 0.005010 -0.003681 -0.012633 29O 1dxz -0.000686 -0.025355 0.005385 0.006010 -0.012700 0.007319 29O 1dyz 0.005046 -0.003163 0.016545 0.021494 -0.026757 0.001224 29O 1dx2y2 -0.000875 -0.001344 0.017718 0.023981 0.010372 -0.033684 29O 1dxy 0.004915 -0.019113 -0.026667 -0.035288 -0.024147 -0.018219 29O 2dz2 0.001758 -0.004441 0.001084 0.004024 -0.008949 0.010533 29O 2dxz -0.000597 0.014356 -0.001871 -0.000632 0.016774 0.012320 29O 2dyz -0.000108 0.004111 -0.006735 -0.008274 -0.007766 -0.009349 29O 2dx2y2 0.000346 0.001364 -0.009288 -0.012464 -0.002305 0.006171 29O 2dxy -0.000284 0.009678 0.014143 0.011016 0.002919 0.001783 29O 1f0 0.000566 0.002640 -0.006223 -0.002773 0.000566 -0.018663 29O 1f+1 -0.003762 -0.005789 0.005696 0.005385 -0.011908 0.017993 29O 1f-1 0.003901 -0.006798 -0.009645 -0.015656 0.016918 0.016703 29O 1f+2 0.001856 0.011880 -0.004883 -0.008082 0.003600 0.017405 29O 1f-2 -0.001652 -0.002589 -0.002436 -0.005190 -0.034789 0.002593 29O 1f+3 -0.002034 -0.008642 0.003550 0.005131 0.001366 0.012639 29O 1f-3 0.001604 -0.003228 -0.008569 -0.010832 0.013803 0.010345 30O 1s -0.002236 0.003619 -0.001365 0.008209 -0.004451 -0.004783 30O 2s -0.009826 0.012933 -0.005975 0.030015 -0.016546 -0.019960 30O 3s 0.154517 -0.169837 0.095007 -0.403546 0.226593 0.299982 30O 4s -0.403996 0.474890 -0.266911 1.068360 -0.603473 -0.775083 30O 5s -0.193234 0.271275 -0.143899 0.549352 -0.318917 -0.144251 30O 1pz -0.018743 0.051565 -0.001306 0.030307 -0.029634 -0.074524 30O 1px 0.036865 -0.034523 0.025322 -0.091750 0.050069 0.041552 30O 1py 0.055902 0.008677 0.038783 -0.049601 0.025772 0.056897 30O 2pz 0.137342 -0.281123 0.063036 -0.315838 0.202883 0.350896 30O 2px -0.209563 0.205109 -0.150593 0.502343 -0.286334 -0.285568 30O 2py -0.288994 0.076609 -0.200449 0.415056 -0.242159 -0.287224 30O 3pz 0.033409 -0.016565 -0.006635 -0.179356 -0.008751 0.067600 30O 3px -0.075825 0.140622 -0.043781 0.240460 -0.153220 -0.145595 30O 3py 0.002775 0.054846 0.092796 0.088796 -0.077960 -0.162951 30O 1dz2 0.070562 0.052199 0.044974 -0.100569 0.128935 -0.070995 30O 1dxz -0.074275 -0.182337 -0.047860 0.002927 -0.026754 0.072952 30O 1dyz 0.053640 -0.074472 0.039101 -0.189983 0.083287 0.027655 30O 1dx2y2 -0.023595 0.007323 -0.018292 0.055814 -0.004470 0.029752 30O 1dxy -0.116643 -0.158901 -0.060627 -0.003791 -0.035425 -0.141908 30O 2dz2 0.023028 0.038959 0.022346 0.010466 -0.019334 0.013869 30O 2dxz 0.072173 -0.050034 0.038497 -0.125765 0.066453 0.107754 30O 2dyz 0.059304 -0.041028 0.029119 -0.084982 0.058752 0.145020 30O 2dx2y2 0.021600 -0.005159 0.017453 -0.050197 0.016020 -0.009889 30O 2dxy -0.082206 0.069004 -0.055621 0.179493 -0.105737 -0.072142 30O 1f0 -0.081729 0.021911 -0.044515 0.043438 -0.023451 -0.136269 30O 1f+1 0.127668 0.286617 0.089641 -0.005944 0.072058 -0.051387 30O 1f-1 0.013187 0.058065 0.047581 -0.003041 -0.022597 -0.154727 30O 1f+2 -0.063914 -0.145884 -0.038230 -0.003824 -0.018200 -0.074340 30O 1f-2 0.111070 -0.123090 0.056019 -0.222150 0.104823 0.205636 30O 1f+3 -0.099122 -0.025140 -0.070448 0.167670 -0.122648 -0.048388 30O 1f-3 0.144992 0.117397 0.076419 -0.133720 0.124141 0.118295 31O 1s 0.001931 0.003816 -0.001427 0.008154 -0.004414 0.004827 31O 2s 0.008738 0.013789 -0.006235 0.029790 -0.016401 0.020123 31O 3s -0.140308 -0.183120 0.098995 -0.400044 0.224412 -0.302234 31O 4s 0.364297 0.510958 -0.277268 1.058356 -0.597506 0.780974 31O 5s 0.171890 0.280073 -0.149285 0.542918 -0.314842 0.150794 31O 1pz -0.013887 -0.056868 0.001128 -0.029926 0.029779 -0.074725 31O 1px 0.034136 0.036124 -0.026302 0.091197 -0.049613 0.042016 31O 1py 0.056999 -0.007344 -0.040236 0.048908 -0.025139 0.056946 31O 2pz 0.112231 0.305955 -0.064338 0.312558 -0.202187 0.353015 31O 2px -0.193131 -0.217875 0.156099 -0.498171 0.283453 -0.288588 31O 2py -0.283925 -0.087537 0.208043 -0.410196 0.238436 -0.288864 31O 3pz 0.033576 0.015318 0.003535 0.177411 0.010571 0.070352 31O 3px -0.064075 -0.149607 0.046077 -0.236951 0.151468 -0.147906 31O 3py 0.008260 -0.060032 -0.092455 -0.087036 0.077187 -0.165334 31O 1dz2 -0.075784 0.060641 0.048082 -0.100001 0.127828 0.070654 31O 1dxz 0.091876 -0.194869 -0.050829 0.002456 -0.026278 -0.073712 31O 1dyz -0.048063 -0.076858 0.040431 -0.189182 0.082797 -0.028806 31O 1dx2y2 0.023862 0.005738 -0.019091 0.055701 -0.004428 -0.029447 31O 1dxy 0.131452 -0.160417 -0.064035 -0.005511 -0.034464 0.141453 31O 2dz2 -0.026586 0.039636 0.023078 0.010817 -0.019843 -0.013627 31O 2dxz -0.068274 -0.055541 0.040048 -0.124445 0.065862 -0.108568 31O 2dyz -0.055658 -0.047904 0.030472 -0.083595 0.058117 -0.145519 31O 2dx2y2 -0.021438 -0.004679 0.018115 -0.049955 0.015744 0.009791 31O 2dxy 0.076588 0.072775 -0.057928 0.178082 -0.104473 0.073178 31O 1f0 -0.079317 -0.030040 0.046203 -0.042357 0.022303 -0.136514 31O 1f+1 0.154763 -0.304474 -0.095303 0.004616 -0.070426 -0.052405 31O 1f-1 0.018424 -0.065941 -0.048869 0.003133 0.023994 -0.155135 31O 1f+2 -0.077807 0.152871 0.040538 0.004417 0.017798 -0.073894 31O 1f-2 0.100572 0.135277 -0.058259 0.220489 -0.103905 0.206924 31O 1f+3 -0.102158 0.028621 0.073571 -0.166583 0.121402 -0.048789 31O 1f-3 0.157021 -0.119683 -0.081346 0.131503 -0.123136 0.118412 32O 1s -0.000043 0.000269 0.000625 0.000215 0.000213 -0.003236 32O 2s -0.000086 0.000791 0.001894 0.000731 0.000611 -0.009764 32O 3s 0.000221 -0.008078 -0.020307 -0.010737 -0.005538 0.109312 32O 4s -0.002513 0.021013 0.053142 0.028100 0.017303 -0.356177 32O 5s 0.016271 -0.042014 -0.097345 -0.014949 -0.063301 0.742805 32O 1pz 0.000124 -0.003097 -0.000650 -0.001294 0.014130 -0.003943 32O 1px 0.000247 -0.002838 -0.001610 0.000204 0.005448 -0.009013 32O 1py -0.000085 0.000817 -0.002697 0.003315 -0.000242 -0.009875 32O 2pz -0.003977 0.010606 0.002984 0.004362 -0.057478 0.024939 32O 2px -0.002999 0.009696 0.006780 -0.006074 -0.019706 0.024110 32O 2py 0.001774 -0.001149 0.008884 0.001056 0.000863 0.021607 32O 3pz -0.000276 -0.027907 0.018184 0.000496 -0.019723 -0.098589 32O 3px 0.003100 -0.008371 -0.006077 0.024119 -0.006662 0.246929 32O 3py 0.004557 -0.024838 -0.038873 -0.025813 -0.023641 0.032907 32O 1dz2 0.001442 0.014420 0.006934 0.004501 -0.002751 0.012638 32O 1dxz 0.002871 -0.024473 0.005240 0.006795 -0.012113 -0.006856 32O 1dyz -0.004309 -0.002605 0.017312 0.022098 -0.027029 0.001468 32O 1dx2y2 0.001227 -0.000603 0.017538 0.023860 0.011220 0.033749 32O 1dxy -0.002971 -0.020391 -0.026731 -0.035453 -0.023728 0.018309 32O 2dz2 -0.001146 -0.005301 0.001304 0.004242 -0.008664 -0.010375 32O 2dxz -0.000756 0.013252 -0.001988 -0.000666 0.016907 -0.013107 32O 2dyz -0.000118 0.004591 -0.006497 -0.008527 -0.008020 0.008907 32O 2dx2y2 -0.000601 0.001344 -0.009329 -0.012480 -0.002057 -0.006582 32O 2dxy -0.000554 0.010310 0.014329 0.010907 0.003208 -0.001802 32O 1f0 0.000687 -0.003373 0.005423 0.001761 0.000900 -0.018906 32O 1f+1 -0.004144 0.006066 -0.005549 -0.005369 0.010622 0.018230 32O 1f-1 0.003569 0.008060 0.010406 0.015607 -0.016504 0.016833 32O 1f+2 0.002780 -0.011820 0.004384 0.007629 -0.004283 0.016874 32O 1f-2 -0.002094 0.002535 0.002067 0.005538 0.035613 0.002787 32O 1f+3 -0.002825 0.008847 -0.003366 -0.005398 0.000073 0.012641 32O 1f-3 0.001238 0.004476 0.008650 0.010375 -0.013968 0.010407 33O 1s -0.001948 0.000851 0.002646 -0.004596 -0.008602 0.003523 33O 2s -0.008662 0.003996 0.009579 -0.017204 -0.031146 0.013574 33O 3s 0.138047 -0.067994 -0.129047 0.237392 0.414634 -0.203580 33O 4s -0.365790 0.206362 0.367003 -0.638575 -1.094015 0.581608 33O 5s -0.192649 0.139421 0.170344 -0.315225 -0.536061 0.505223 33O 1pz 0.062697 -0.029279 0.005214 0.037829 0.059214 0.009534 33O 1px -0.023744 0.013847 0.045182 -0.054802 -0.091676 0.026635 33O 1py -0.016538 0.002805 -0.038632 0.001275 -0.015631 -0.000837 33O 2pz -0.324652 0.161483 0.073443 -0.312206 -0.487531 0.183815 33O 2px 0.166522 -0.111519 -0.242289 0.322738 0.543799 -0.267567 33O 2py 0.036753 0.012797 0.171118 -0.038287 -0.042226 0.071219 33O 3pz -0.017723 -0.068118 0.065637 -0.098261 -0.139821 0.227529 33O 3px 0.097440 -0.068154 -0.085429 0.136918 0.278040 -0.342978 33O 3py -0.018500 -0.002901 -0.053030 0.073175 -0.040453 -0.045955 33O 1dz2 -0.059128 -0.006381 -0.054772 -0.081644 -0.025927 0.011430 33O 1dxz 0.134168 -0.042121 0.083577 0.061767 0.068259 -0.064149 33O 1dyz 0.048663 0.013190 0.138120 -0.036721 -0.173657 0.055661 33O 1dx2y2 0.069163 -0.012734 0.143092 -0.037767 -0.079058 0.025016 33O 1dxy -0.166999 0.025835 -0.155478 -0.122944 -0.111605 0.011585 33O 2dz2 -0.063648 0.025151 -0.007360 -0.039354 -0.085713 0.027751 33O 2dxz 0.089612 -0.043954 -0.069031 0.128175 0.200484 -0.098173 33O 2dyz -0.006837 0.006840 0.018413 -0.010234 0.004882 0.040594 33O 2dx2y2 -0.048428 0.023608 0.006103 -0.025099 -0.052130 0.039878 33O 2dxy 0.023067 -0.016607 -0.047342 0.056003 0.101295 -0.045681 33O 1f0 0.042177 -0.024382 0.006445 0.056875 0.024868 -0.140925 33O 1f+1 0.263685 -0.063886 0.159831 0.201024 0.212292 -0.027047 33O 1f-1 -0.002659 0.007391 0.013859 0.033782 0.047777 -0.037541 33O 1f+2 -0.094484 0.044202 0.065774 -0.087061 -0.192711 0.106620 33O 1f-2 -0.118295 0.009772 -0.232681 0.002408 0.086618 -0.005020 33O 1f+3 0.010151 -0.007266 0.079297 0.002318 -0.013101 0.043830 33O 1f-3 -0.168047 0.022840 -0.260504 -0.044651 0.057493 -0.006183 34O 1s -0.002157 -0.004403 0.001499 -0.008812 0.004712 -0.004294 34O 2s -0.009437 -0.016130 0.006562 -0.032209 0.017507 -0.016617 34O 3s 0.151428 0.222108 -0.106159 0.437768 -0.242871 0.248207 34O 4s -0.423634 -0.636839 0.317400 -1.197205 0.677528 -0.716014 34O 5s -0.210400 -0.360948 0.212120 -0.646651 0.351656 -0.542518 34O 1pz -0.017525 0.039257 0.011762 -0.035368 0.009042 -0.034426 34O 1px 0.049380 0.070357 -0.035609 0.111642 -0.063900 0.029500 34O 1py -0.043528 0.030483 0.027561 -0.021370 0.009469 -0.017415 34O 2pz 0.060771 -0.167548 -0.032802 0.078791 -0.029947 0.099716 34O 2px -0.315720 -0.466341 0.245283 -0.769615 0.438786 -0.389570 34O 2py 0.213722 -0.029054 -0.139922 0.239154 -0.140256 0.187480 34O 3pz 0.016009 0.079740 -0.022166 -0.004180 -0.090723 0.006682 34O 3px -0.102702 -0.160782 0.057801 -0.359508 0.188599 -0.426269 34O 3py -0.009659 0.001309 0.088633 0.006244 -0.054215 -0.017161 34O 1dz2 -0.036292 0.134855 0.015317 0.062322 -0.057453 0.041280 34O 1dxz 0.145680 -0.206107 -0.061034 0.074062 -0.116758 0.062576 34O 1dyz -0.001263 0.117324 -0.019533 0.177463 -0.062073 0.010842 34O 1dx2y2 -0.020679 -0.066993 0.021684 -0.048952 -0.011998 -0.025149 34O 1dxy 0.124307 -0.137316 -0.059393 0.082500 -0.087992 0.090212 34O 2dz2 0.070745 0.046257 -0.045480 0.115359 -0.047715 0.077565 34O 2dxz 0.004288 -0.058324 0.002735 -0.030754 0.023326 0.015916 34O 2dyz -0.010677 -0.017217 0.010101 -0.069090 0.027068 -0.003782 34O 2dx2y2 -0.065727 -0.112092 0.046975 -0.157461 0.100733 -0.080149 34O 2dxy 0.081067 0.049010 -0.053157 0.158971 -0.091980 0.111146 34O 1f0 -0.125390 0.202007 0.056094 -0.068986 0.081181 -0.113647 34O 1f+1 0.016845 0.183303 -0.003588 0.115716 -0.026155 0.109008 34O 1f-1 -0.021657 -0.024651 0.016071 -0.077204 0.001219 -0.048812 34O 1f+2 0.157140 -0.294248 -0.065921 -0.016889 -0.034911 0.112477 34O 1f-2 -0.035418 0.058231 0.020510 -0.078912 0.043533 -0.107377 34O 1f+3 0.018112 0.187531 -0.025809 0.107843 -0.048717 0.057898 34O 1f-3 -0.219872 0.129486 0.122655 -0.246492 0.193612 -0.087981 35O 1s 0.002520 -0.001082 -0.002469 0.005073 0.009268 -0.005264 35O 2s 0.010897 -0.004820 -0.009191 0.019049 0.033927 -0.021801 35O 3s -0.172533 0.078754 0.127811 -0.267341 -0.462898 0.328300 35O 4s 0.476016 -0.235347 -0.371214 0.747792 1.279026 -0.882730 35O 5s 0.236366 -0.134134 -0.254781 0.420895 0.713466 -0.212135 35O 1pz -0.044274 0.021620 -0.032144 -0.004340 0.001156 0.055861 35O 1px -0.070729 0.033701 0.017965 -0.072519 -0.118888 0.092519 35O 1py -0.002232 -0.002343 0.061403 -0.026029 -0.030692 0.039865 35O 2pz 0.202495 -0.093783 0.078800 0.104379 0.128461 -0.204075 35O 2px 0.395738 -0.198675 -0.176257 0.482040 0.778128 -0.529096 35O 2py 0.077591 -0.039211 -0.297164 0.204717 0.335443 -0.217375 35O 3pz -0.041275 0.103243 0.037454 -0.005951 -0.026351 0.006598 35O 3px 0.076493 0.004263 -0.098446 0.208021 0.362019 -0.198058 35O 3py 0.031274 0.008433 0.038628 -0.008487 0.180774 -0.142193 35O 1dz2 -0.064632 0.029194 -0.047348 0.028405 0.015677 0.101570 35O 1dxz 0.108408 -0.021594 0.145755 0.037813 -0.048929 -0.145020 35O 1dyz 0.088521 -0.035949 0.022731 0.099821 0.183156 0.050721 35O 1dx2y2 0.155633 -0.038132 0.125619 0.132039 0.088885 -0.054511 35O 1dxy -0.125790 0.022014 -0.232476 -0.014853 0.088572 -0.044136 35O 2dz2 -0.044787 0.014881 0.054322 -0.092089 -0.129898 0.053468 35O 2dxz 0.069889 -0.036528 -0.016166 0.080318 0.143783 -0.059003 35O 2dyz 0.015822 -0.004914 0.000860 0.010486 -0.005733 -0.081433 35O 2dx2y2 0.080732 -0.041420 0.006863 0.055120 0.093266 -0.121260 35O 2dxy 0.082232 -0.033127 -0.075521 0.102416 0.174178 -0.129149 35O 1f0 -0.174627 0.035659 -0.140672 -0.136793 -0.101516 0.116806 35O 1f+1 -0.118847 0.022710 -0.011209 -0.103816 -0.121549 0.066149 35O 1f-1 0.030603 -0.010943 0.132202 -0.053613 -0.133403 -0.041879 35O 1f+2 0.089548 -0.060183 0.055704 0.078485 0.143157 -0.092363 35O 1f-2 0.138167 -0.040559 0.094864 0.064344 0.068150 -0.174747 35O 1f+3 -0.270978 0.094704 -0.323826 -0.109946 -0.030168 0.092787 35O 1f-3 0.006281 0.023092 0.227852 -0.050246 -0.173462 0.216545 678 679 680 681 682 683 6.09494 6.10453 6.23876 6.24005 6.28961 6.30409 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s -0.000149 0.000101 0.000785 0.000105 0.000982 -0.000012 0Rh 2s 0.001199 -0.000861 -0.004898 -0.000501 -0.003957 0.000154 0Rh 3s -0.000196 0.000107 0.001880 0.000335 0.003645 0.000017 0Rh 4s -0.007662 0.005552 0.031812 0.002946 0.028073 -0.000961 0Rh 5s 0.022039 -0.016607 -0.086719 -0.003301 -0.078194 0.002832 0Rh 6s -0.028176 0.022793 0.098516 -0.017204 0.074987 -0.004182 0Rh 7s -0.142790 0.151984 -0.124095 0.315092 0.014735 0.017577 0Rh 8s -0.227462 0.266951 -0.314214 -0.138367 0.090060 -0.038033 0Rh 1pz -0.049287 -0.111085 0.007752 0.008773 0.001618 0.028557 0Rh 1px -0.075502 0.015434 -0.021832 -0.026271 -0.003872 0.011905 0Rh 1py 0.080457 -0.038195 -0.000860 -0.004184 -0.000811 -0.025957 0Rh 2pz 0.205934 0.464446 -0.032402 -0.036801 -0.006824 -0.119562 0Rh 2px 0.315782 -0.064741 0.091250 0.110213 0.016329 -0.049861 0Rh 2py -0.336330 0.159656 0.003700 0.017522 0.003419 0.108686 0Rh 3pz -0.677297 -1.533636 0.106445 0.123907 0.023815 0.395314 0Rh 3px -1.045259 0.218236 -0.299663 -0.371194 -0.056716 0.165192 0Rh 3py 1.109572 -0.526427 -0.014346 -0.058239 -0.011690 -0.359524 0Rh 4pz 0.895884 2.048638 -0.140009 -0.173459 -0.036436 -0.524498 0Rh 4px 1.404526 -0.305894 0.393616 0.519909 0.085311 -0.220259 0Rh 4py -1.478545 0.700587 0.025026 0.078669 0.016375 0.477643 0Rh 5pz -0.506256 -1.210934 0.079366 0.120585 0.031507 0.308579 0Rh 5px -0.850069 0.217282 -0.223991 -0.362055 -0.069548 0.132094 0Rh 5py 0.863760 -0.407817 -0.029404 -0.051826 -0.012064 -0.284760 0Rh 6pz 0.073600 1.044483 -0.027928 -0.043943 0.062343 -0.166974 0Rh 6px 1.103560 -0.803795 0.249792 0.185399 -0.076749 -0.053508 0Rh 6py -0.542278 0.231038 0.491696 0.311479 0.162130 0.212393 0Rh 1dz2 -0.001978 -0.004540 -0.005249 -0.002927 -0.003043 0.000827 0Rh 1dxz 0.005214 0.005392 -0.006703 -0.003700 -0.004672 -0.002452 0Rh 1dyz 0.002433 0.001412 0.001846 0.001707 0.000183 -0.000965 0Rh 1dx2y2 0.002246 0.002930 0.007675 0.004169 0.005474 -0.000781 0Rh 1dxy -0.006094 0.003404 -0.005840 -0.003056 -0.002230 0.001985 0Rh 2dz2 0.001335 0.000382 0.001925 0.000823 0.000685 -0.000498 0Rh 2dxz -0.000400 -0.002444 0.002032 0.000878 0.001112 0.001345 0Rh 2dyz -0.000424 -0.000703 -0.000950 -0.000764 -0.000222 0.000670 0Rh 2dx2y2 -0.002187 0.000814 -0.001787 -0.000752 -0.000958 0.000828 0Rh 2dxy 0.001062 -0.000330 0.002338 0.001329 0.001344 -0.001172 0Rh 3dz2 0.003585 0.022200 0.019007 0.011836 0.012900 -0.002065 0Rh 3dxz -0.025851 -0.015952 0.026362 0.015800 0.019554 0.006767 0Rh 3dyz -0.010667 -0.004004 -0.005308 -0.005537 0.000058 0.001944 0Rh 3dx2y2 -0.000456 -0.019990 -0.032880 -0.019026 -0.024428 0.000157 0Rh 3dxy 0.027026 -0.016452 0.020189 0.010007 0.005893 -0.005079 0Rh 4dz2 0.000457 -0.051288 -0.040992 -0.026396 -0.025501 0.003077 0Rh 4dxz 0.061646 0.021364 -0.059002 -0.036391 -0.038940 -0.011880 0Rh 4dyz 0.022331 0.006572 0.008693 0.011036 -0.000625 -0.002151 0Rh 4dx2y2 -0.015059 0.055366 0.077122 0.045525 0.048664 0.003317 0Rh 4dxy -0.058994 0.037941 -0.040230 -0.019226 -0.013721 0.008209 0Rh 5dz2 -0.038344 0.073596 0.074655 0.032823 0.017807 0.012059 0Rh 5dxz -0.104073 0.034569 0.112212 0.048623 0.030050 -0.003179 0Rh 5dyz -0.022982 -0.005436 0.005351 -0.011594 0.001067 -0.014461 0Rh 5dx2y2 0.093341 -0.121043 -0.160820 -0.063987 -0.034839 -0.035410 0Rh 5dxy 0.070746 -0.054765 0.027958 0.019198 0.027811 0.011956 0Rh 1f0 0.003348 0.006068 0.002171 0.000117 0.005709 0.010060 0Rh 1f+1 0.004331 -0.008350 0.000018 0.002107 -0.003537 0.002315 0Rh 1f-1 0.001728 -0.016430 0.004023 0.003562 0.001673 -0.000207 0Rh 1f+2 0.020702 0.004109 0.001186 0.003393 -0.006006 0.010180 0Rh 1f-2 0.013223 -0.006178 0.000033 0.003106 -0.000943 0.005157 0Rh 1f+3 -0.000378 -0.013020 -0.001427 0.000976 -0.008050 -0.006575 0Rh 1f-3 0.009800 -0.007041 -0.002510 0.002949 -0.004695 0.000710 1Rh 1s 0.000143 -0.000102 -0.000639 0.000458 0.000983 0.000013 1Rh 2s -0.001150 0.000862 0.004063 -0.002726 -0.003965 -0.000169 1Rh 3s 0.000189 -0.000110 -0.001486 0.001170 0.003649 -0.000022 1Rh 4s 0.007348 -0.005560 -0.026525 0.017433 0.028126 0.001045 1Rh 5s -0.021165 0.016613 0.074534 -0.043352 -0.078342 -0.003085 1Rh 6s 0.027023 -0.022705 -0.094604 0.030784 0.075169 0.004631 1Rh 7s 0.146699 -0.152270 0.257961 0.219751 0.014016 -0.020358 1Rh 8s 0.225660 -0.268850 0.211869 -0.269464 0.090254 0.039062 1Rh 1pz -0.049026 -0.111537 0.002648 -0.011277 -0.001710 0.028627 1Rh 1px -0.075335 0.015204 -0.006846 0.033428 0.003904 0.011807 1Rh 1py 0.080149 -0.038267 0.001173 0.004088 0.000562 -0.025912 1Rh 2pz 0.204844 0.466334 -0.011003 0.047257 0.007211 -0.119854 1Rh 2px 0.315082 -0.063778 0.028418 -0.140082 -0.016461 -0.049451 1Rh 2py -0.335041 0.159958 -0.004824 -0.017170 -0.002376 0.108497 1Rh 3pz -0.673731 -1.539841 0.034715 -0.157941 -0.025106 0.396296 1Rh 3px -1.042943 0.215050 -0.088977 0.468205 0.057152 0.163806 1Rh 3py 1.105349 -0.527431 0.014231 0.058056 0.008243 -0.358891 1Rh 4pz 0.891225 2.056809 -0.040670 0.217118 0.038187 -0.525853 1Rh 4px 1.401392 -0.301599 0.101661 -0.643563 -0.085884 -0.218306 1Rh 4py -1.473015 0.701944 -0.014252 -0.081153 -0.011792 0.476791 1Rh 5pz -0.503757 -1.215485 0.012512 -0.143049 -0.032654 0.309465 1Rh 5px -0.847996 0.214616 -0.026659 0.424686 0.069881 0.130661 1Rh 5py 0.860682 -0.408645 -0.001959 0.059665 0.009357 -0.284298 1Rh 6pz 0.073517 1.046962 -0.008231 0.058236 -0.060296 -0.168183 1Rh 6px 1.100298 -0.801733 0.131532 -0.279886 0.076104 -0.052606 1Rh 6py -0.537692 0.230995 0.287844 -0.507583 -0.160912 0.213733 1Rh 1dz2 0.002014 0.004546 0.003304 -0.005185 -0.003096 -0.000807 1Rh 1dxz -0.005207 -0.005326 0.004065 -0.006259 -0.004631 0.002440 1Rh 1dyz -0.002464 -0.001418 -0.000779 0.002168 0.000135 0.000975 1Rh 1dx2y2 -0.002275 -0.002910 -0.004840 0.007322 0.005508 0.000751 1Rh 1dxy 0.006143 -0.003406 0.003747 -0.005551 -0.002288 -0.001973 1Rh 2dz2 -0.001355 -0.000387 -0.001327 0.001673 0.000700 0.000498 1Rh 2dxz 0.000395 0.002419 -0.001345 0.001677 0.001099 -0.001336 1Rh 2dyz 0.000425 0.000712 0.000468 -0.001055 -0.000209 -0.000666 1Rh 2dx2y2 0.002196 -0.000826 0.001240 -0.001525 -0.000973 -0.000820 1Rh 2dxy -0.001082 0.000330 -0.001445 0.002308 0.001367 0.001170 1Rh 3dz2 -0.003678 -0.022207 -0.011394 0.019908 0.013110 0.001958 1Rh 3dxz 0.025842 0.015721 -0.015415 0.025745 0.019393 -0.006746 1Rh 3dyz 0.010827 0.003992 0.001882 -0.006578 0.000257 -0.002020 1Rh 3dx2y2 0.000563 0.019940 0.020137 -0.032336 -0.024540 -0.000033 1Rh 3dxy -0.027189 0.016462 -0.013242 0.018740 0.006101 0.005025 1Rh 4dz2 -0.000327 0.051301 0.024160 -0.043755 -0.025988 -0.002830 1Rh 4dxz -0.061633 -0.020903 0.034081 -0.058612 -0.038592 0.011842 1Rh 4dyz -0.022731 -0.006509 -0.002071 0.011981 -0.001121 0.002354 1Rh 4dx2y2 0.014831 -0.055302 -0.046785 0.076565 0.048881 -0.003580 1Rh 4dxy 0.059299 -0.037970 0.026741 -0.036827 -0.014175 -0.008080 1Rh 5dz2 0.038476 -0.073625 -0.051078 0.065973 0.018721 -0.012495 1Rh 5dxz 0.104170 -0.035274 -0.075222 0.094211 0.029544 0.003259 1Rh 5dyz 0.023947 0.005116 -0.010996 -0.004326 0.002185 0.013854 1Rh 5dx2y2 -0.093030 0.121074 0.111968 -0.131945 -0.035050 0.035652 1Rh 5dxy -0.070955 0.054788 -0.016109 0.031634 0.028383 -0.012252 1Rh 1f0 0.003284 0.006104 0.001908 -0.001228 -0.005740 0.010122 1Rh 1f+1 0.004344 -0.008363 -0.001035 -0.001820 0.003570 0.002284 1Rh 1f-1 0.001787 -0.016512 0.001866 -0.005058 -0.001632 -0.000175 1Rh 1f+2 0.020702 0.004193 -0.000427 -0.003636 0.005971 0.010152 1Rh 1f-2 0.013216 -0.006206 -0.001504 -0.002552 0.001061 0.005120 1Rh 1f+3 -0.000298 -0.013038 -0.001721 -0.000215 0.008049 -0.006634 1Rh 1f-3 0.009800 -0.007033 -0.003534 -0.001520 0.004654 0.000722 2C 1s -0.000385 0.001006 -0.000525 -0.000339 0.001576 -0.000661 2C 2s 0.000204 0.002643 -0.001204 -0.001149 0.005863 -0.002563 2C 3s -0.041718 -0.192066 0.007190 0.028631 -0.106570 0.084434 2C 4s 0.168281 1.040516 -0.032936 -0.169071 0.476845 -0.416298 2C 5s -0.246133 -0.062472 0.137623 0.130294 -0.690217 0.237587 2C 1pz 0.002813 -0.026739 0.002158 0.006765 -0.031118 0.009163 2C 1px -0.008418 0.009334 -0.000276 0.002643 -0.003183 -0.002731 2C 1py -0.003518 -0.013812 0.006476 0.007313 -0.019281 0.021609 2C 2pz -0.025467 0.623368 0.005133 -0.084388 0.240095 -0.179567 2C 2px 0.118962 -0.089111 0.033139 -0.048825 -0.009271 0.018432 2C 2py 0.031062 0.383090 -0.041509 -0.090279 0.144292 -0.235061 2C 3pz -0.057343 0.023213 0.034425 0.032386 -0.120217 0.009782 2C 3px -0.017208 0.031601 -0.037965 0.012314 -0.016789 -0.025681 2C 3py 0.018871 0.017229 0.023592 0.036914 -0.079273 0.032587 2C 1dz2 0.004278 0.004797 -0.000722 0.001349 -0.008136 -0.007569 2C 1dxz -0.019198 0.022870 0.000861 -0.002528 -0.007473 -0.006098 2C 1dyz 0.007010 0.020187 0.006192 0.000931 -0.008570 -0.000994 2C 1dx2y2 -0.000369 -0.009702 -0.005862 -0.001593 0.005981 -0.005421 2C 1dxy -0.007722 0.018198 0.002446 -0.000335 0.000167 0.002117 2C 2dz2 -0.044850 0.135179 0.006925 -0.009474 0.060852 -0.013708 2C 2dxz -0.041949 0.110824 -0.035330 -0.025423 0.061372 -0.042418 2C 2dyz 0.045626 0.120742 0.008606 -0.033438 0.056554 -0.087072 2C 2dx2y2 0.027460 -0.132147 0.015838 0.004667 -0.045940 0.058554 2C 2dxy 0.012510 0.025228 0.004795 -0.012361 0.014551 0.002767 2C 1f0 -0.000421 -0.024412 0.001791 0.003782 -0.002790 0.010113 2C 1f+1 -0.018927 -0.006408 0.008101 -0.000348 -0.016282 0.003844 2C 1f-1 0.010823 0.027222 0.000976 -0.001583 0.024683 -0.019368 2C 1f+2 -0.031289 0.014315 -0.008641 -0.001261 0.001672 0.003685 2C 1f-2 -0.004002 0.035628 -0.003159 -0.005636 0.008917 -0.003908 2C 1f+3 -0.030134 0.015041 -0.006880 -0.002846 0.000421 -0.000408 2C 1f-3 0.023604 -0.020330 0.011288 0.003371 -0.016393 0.007900 3C 1s 0.000625 0.000469 0.000218 -0.000673 0.001572 -0.001404 3C 2s 0.002514 0.000084 0.000645 -0.002019 0.005900 -0.008732 3C 3s -0.220426 0.001794 0.005060 0.028528 -0.099287 0.302157 3C 4s 1.151395 0.049883 -0.053317 -0.167173 0.433062 -1.508425 3C 5s -0.213970 0.157615 -0.068433 0.268489 -0.674234 0.628529 3C 1pz -0.017030 -0.003842 -0.000245 0.005163 -0.020203 0.039498 3C 1px -0.014878 0.007586 0.001063 0.000277 -0.011169 0.020353 3C 1py 0.022140 0.005702 0.001824 -0.010920 0.029581 -0.062518 3C 2pz 0.392683 0.104901 -0.034377 -0.069498 0.149705 -0.534035 3C 2px 0.278173 -0.091206 -0.012378 0.009415 0.062106 -0.232131 3C 2py -0.508223 -0.097838 0.057330 0.113067 -0.190107 0.778405 3C 3pz -0.022378 -0.038045 -0.015523 0.034070 -0.090603 0.062853 3C 3px 0.018903 0.003672 -0.011237 0.042516 -0.024864 -0.020335 3C 3py -0.011137 -0.048437 0.002481 -0.060017 0.117588 -0.032582 3C 1dz2 -0.003925 -0.006184 0.000110 -0.001539 -0.000533 0.006096 3C 1dxz -0.005167 0.008964 -0.001643 0.001201 -0.006638 0.001662 3C 1dyz -0.022025 0.010026 0.003241 -0.001346 0.008573 0.010858 3C 1dx2y2 -0.021636 0.001742 0.008190 -0.005078 0.010999 -0.002605 3C 1dxy -0.004186 -0.013591 0.001512 -0.004235 0.007838 0.001539 3C 2dz2 -0.019747 -0.024746 -0.001589 0.009374 -0.018211 0.057985 3C 2dxz 0.022656 0.043626 -0.009216 -0.013222 0.046991 -0.122579 3C 2dyz -0.111367 0.036499 0.029808 0.015885 -0.021572 0.152020 3C 2dx2y2 -0.130089 -0.076782 0.002738 0.044099 -0.063943 0.224226 3C 2dxy -0.140533 -0.011640 0.005650 0.005578 -0.070319 0.193179 3C 1f0 -0.022677 -0.020109 -0.003357 0.005369 -0.022596 0.047364 3C 1f+1 -0.018668 -0.027722 -0.001901 0.003341 -0.015698 0.031228 3C 1f-1 0.006090 0.019283 0.003009 0.000386 0.001492 -0.003685 3C 1f+2 -0.041692 0.028555 0.000021 0.007039 -0.016246 0.053083 3C 1f-2 -0.000583 0.011690 0.002530 -0.004785 -0.000410 0.010590 3C 1f+3 -0.010068 0.007936 -0.007326 0.008222 -0.002250 -0.013310 3C 1f-3 -0.006064 0.011685 0.008132 -0.002210 0.018022 -0.020556 4C 1s 0.001229 0.020537 0.009027 0.012326 -0.048610 0.013694 4C 2s 0.001763 0.032330 0.012856 0.017983 -0.071359 0.020365 4C 3s 0.027987 -0.090892 -0.025645 -0.057176 0.207082 -0.110396 4C 4s -0.171814 -0.705092 -0.260697 -0.328838 1.134379 -0.071362 4C 5s 0.094323 0.739565 0.111468 0.019246 0.258294 -0.087059 4C 1pz 0.021706 -0.166520 -0.017936 -0.030141 0.100840 -0.012660 4C 1px -0.095193 0.086486 -0.003196 0.011584 0.023064 -0.002405 4C 1py -0.015230 -0.065227 -0.011996 -0.015154 0.069318 -0.017609 4C 2pz 0.199021 0.389684 -0.167172 -0.235836 0.766305 -0.419585 4C 2px -0.732165 0.856981 0.038647 -0.025225 0.166439 -0.081209 4C 2py -0.059737 0.591429 -0.035785 -0.139485 0.537258 -0.188383 4C 3pz 0.019595 0.572899 0.063645 0.127950 -0.307431 0.003211 4C 3px 0.036444 0.129510 0.131647 0.087598 0.018995 0.004362 4C 3py -0.176047 0.362518 0.091334 0.095289 -0.179884 0.009919 4C 1dz2 0.047403 0.004951 0.004235 0.011804 -0.126771 0.011138 4C 1dxz -0.120964 0.256558 0.029789 0.060528 -0.201179 0.038292 4C 1dyz 0.020425 0.017115 -0.008395 -0.020701 0.036870 -0.001879 4C 1dx2y2 -0.028268 -0.188920 -0.061256 -0.077828 0.318786 -0.103134 4C 1dxy -0.105653 0.042450 -0.027593 -0.017977 0.150920 -0.034163 4C 2dz2 0.023361 -0.223483 0.010430 0.108622 -0.104743 0.140154 4C 2dxz -0.104862 -0.011658 0.036523 0.013840 -0.182338 0.108529 4C 2dyz 0.017246 -0.214350 -0.012048 0.047503 -0.027962 0.038442 4C 2dx2y2 -0.078212 0.121013 -0.032192 -0.105623 0.248673 -0.031887 4C 2dxy -0.100236 0.042857 0.000332 -0.042364 0.094754 -0.008628 4C 1f0 -0.018203 0.060246 0.023308 0.025528 -0.085719 0.044392 4C 1f+1 0.106181 -0.018625 0.058682 0.045983 -0.185001 0.061026 4C 1f-1 0.024442 0.020783 0.009913 0.003948 -0.041849 -0.008272 4C 1f+2 0.051443 -0.101996 -0.044787 -0.043618 0.157219 -0.051130 4C 1f-2 -0.073411 0.000137 -0.011281 0.008626 -0.011438 -0.011244 4C 1f+3 0.151906 -0.042428 0.012882 0.009433 0.024173 0.030500 4C 1f-3 -0.029831 -0.098126 0.008061 0.039255 -0.163145 0.021996 5C 1s 0.019943 0.003531 -0.004738 0.017311 -0.051387 0.061224 5C 2s 0.031322 0.005687 -0.006607 0.024550 -0.075732 0.090623 5C 3s -0.059263 -0.052171 0.005603 -0.035895 0.216796 -0.422954 5C 4s -0.798667 0.042295 0.151626 -0.615078 1.227215 -0.697157 5C 5s 0.791069 0.037224 -0.086529 -0.016615 0.187813 -0.227459 5C 1pz -0.051320 -0.047133 0.006916 -0.014728 0.068017 -0.052167 5C 1px -0.125057 0.075125 0.003903 -0.030757 0.036632 -0.035407 5C 1py 0.115230 0.038227 -0.011079 0.030622 -0.110843 0.087164 5C 2pz 0.544155 -0.206084 0.035018 -0.204389 0.475078 -0.913544 5C 2px -0.323014 0.754800 0.021728 -0.155265 0.276464 -0.563965 5C 2py -0.758785 -0.020981 0.004904 0.297388 -0.783565 1.485764 5C 3pz 0.300971 0.200270 -0.028445 0.156254 -0.176468 0.007313 5C 3px 0.192048 0.070864 0.033520 -0.053676 -0.171305 0.008787 5C 3py -0.482073 -0.021326 0.050413 -0.207989 0.324851 -0.025193 5C 1dz2 0.130919 -0.050727 -0.009419 0.063836 -0.196266 0.214532 5C 1dxz 0.049490 0.088704 -0.015430 0.055329 -0.216648 0.241472 5C 1dyz -0.018627 0.061928 -0.021082 0.047747 -0.119224 0.143687 5C 1dx2y2 -0.250212 0.019244 0.027692 -0.108280 0.310240 -0.352272 5C 1dxy 0.009537 -0.127050 0.017427 -0.005838 0.100792 -0.091171 5C 2dz2 0.064119 -0.091238 -0.023171 0.041363 -0.142522 0.116391 5C 2dxz -0.118098 0.001222 0.028283 0.136329 -0.144280 0.281319 5C 2dyz 0.151927 0.086277 -0.019801 0.008247 -0.040806 -0.174357 5C 2dx2y2 0.103256 0.081486 -0.016049 -0.108313 0.254891 -0.423502 5C 2dxy 0.211224 -0.084706 -0.047833 -0.096093 0.067658 -0.245059 5C 1f0 -0.062183 0.077272 -0.016910 0.029458 -0.064565 0.094019 5C 1f+1 0.029236 0.029115 -0.028414 0.065537 -0.124515 0.182390 5C 1f-1 -0.015608 0.030791 -0.002879 0.000474 0.013413 -0.002308 5C 1f+2 -0.009441 -0.118150 0.023090 -0.027637 0.027395 -0.015318 5C 1f-2 0.032871 -0.045621 0.014941 -0.056782 0.144860 -0.172818 5C 1f+3 0.097201 -0.092292 -0.028642 0.058893 -0.166733 0.169557 5C 1f-3 0.044917 0.042205 0.006437 -0.066427 0.189215 -0.225319 6C 1s -0.019953 -0.003540 0.012025 0.012910 -0.051637 -0.061180 6C 2s -0.031331 -0.005684 0.017019 0.018337 -0.076088 -0.090543 6C 3s 0.058383 0.051909 -0.024239 -0.027700 0.217584 0.422265 6C 4s 0.802243 -0.040424 -0.401029 -0.471234 1.234174 0.698368 6C 5s -0.791152 -0.035647 0.075960 -0.059234 0.188446 0.228154 6C 1pz -0.051120 -0.047330 0.013131 0.009708 -0.068081 -0.051933 6C 1px -0.125725 0.075765 0.017467 0.024475 -0.037359 -0.035561 6C 1py 0.115146 0.038233 -0.024223 -0.021528 0.111067 0.086961 6C 2pz 0.546365 -0.208825 0.119652 0.161339 -0.479480 -0.913167 6C 2px -0.329179 0.761591 0.089917 0.135496 -0.274375 -0.565104 6C 2py -0.760238 -0.018825 -0.123327 -0.262716 0.790930 1.486186 6C 3pz 0.302095 0.199067 -0.101040 -0.123526 0.174240 0.007923 6C 3px 0.190222 0.071243 0.052099 0.035748 0.171341 0.008320 6C 3py -0.483068 -0.020040 0.146991 0.157501 -0.321349 -0.025544 6C 1dz2 -0.131080 0.050877 0.036911 0.051425 -0.197127 -0.214349 6C 1dxz -0.049386 -0.089068 0.038534 0.040727 -0.218016 -0.241380 6C 1dyz 0.018899 -0.062363 0.040212 0.031753 -0.119732 -0.143498 6C 1dx2y2 0.250607 -0.019807 -0.073716 -0.082053 0.311435 0.352081 6C 1dxy -0.010387 0.127981 -0.017797 0.003657 0.100992 0.090564 6C 2dz2 -0.065348 0.092070 0.037671 0.026597 -0.142554 -0.116211 6C 2dxz 0.118753 -0.002312 0.035140 0.133080 -0.146192 -0.281783 6C 2dyz -0.151823 -0.087076 0.020292 -0.003247 -0.041495 0.174461 6C 2dx2y2 -0.102063 -0.082093 -0.031868 -0.105211 0.256830 0.423963 6C 2dxy -0.213350 0.086490 0.000977 -0.105552 0.069723 0.245353 6C 1f0 -0.062662 0.077734 -0.027858 -0.017711 0.064913 0.093784 6C 1f+1 0.029683 0.028870 -0.054963 -0.044924 0.125070 0.182450 6C 1f-1 -0.015476 0.030715 -0.002935 0.001090 -0.013307 -0.002353 6C 1f+2 -0.009072 -0.118622 0.033218 0.013543 -0.027236 -0.015136 6C 1f-2 0.032864 -0.046037 0.038123 0.042029 -0.146256 -0.172828 6C 1f+3 0.097892 -0.092684 -0.051256 -0.038528 0.167229 0.169322 6C 1f-3 0.045092 0.041695 0.034654 0.054972 -0.190575 -0.225389 7C 1s -0.001234 -0.020516 -0.002172 0.015074 -0.048319 -0.013505 7C 2s -0.001778 -0.032307 -0.002976 0.021877 -0.070919 -0.020091 7C 3s -0.026889 0.092272 -0.000464 -0.064018 0.204486 0.108915 7C 4s 0.165800 0.699096 0.060201 -0.405065 1.133342 0.071746 7C 5s -0.090539 -0.737635 -0.095551 0.070139 0.256528 0.080811 7C 1pz 0.022004 -0.166842 -0.002259 0.034744 -0.100398 -0.012590 7C 1px -0.095595 0.087978 -0.008428 -0.007715 -0.022418 -0.002370 7C 1py -0.015223 -0.065441 -0.003911 0.019303 -0.069213 -0.017567 7C 2pz 0.196815 0.388132 -0.029206 0.286607 -0.756990 -0.412265 7C 2px -0.738265 0.870004 0.047503 -0.004399 -0.168200 -0.080195 7C 2py -0.063041 0.595892 0.039116 0.136868 -0.534833 -0.184631 7C 3pz 0.017676 0.573954 0.003359 -0.142953 0.306837 0.000033 7C 3px 0.036263 0.131039 0.074619 -0.141157 -0.021009 0.003830 7C 3py -0.177503 0.365332 0.040227 -0.129255 0.180287 0.007889 7C 1dz2 -0.048084 -0.004433 0.001443 0.012402 -0.126607 -0.010592 7C 1dxz 0.121844 -0.258478 0.002170 0.067320 -0.199843 -0.037486 7C 1dyz -0.020148 -0.017122 -0.002606 -0.022084 0.036876 0.001908 7C 1dx2y2 0.028789 0.188369 0.017540 -0.097283 0.316989 0.101962 7C 1dxy 0.105424 -0.043548 0.015926 -0.028473 0.149968 0.033569 7C 2dz2 -0.025059 0.225182 0.044720 0.098672 -0.104469 -0.139179 7C 2dxz 0.105554 0.009419 -0.023458 0.031106 -0.179979 -0.106756 7C 2dyz -0.018243 0.215411 0.034492 0.036352 -0.026333 -0.037601 7C 2dx2y2 0.078829 -0.123631 -0.025620 -0.106887 0.247251 0.030501 7C 2dxy 0.101619 -0.046290 -0.022662 -0.034399 0.095674 0.008519 7C 1f0 -0.017712 0.059751 0.008193 -0.033437 0.085354 0.044204 7C 1f+1 0.105623 -0.019991 0.028936 -0.067537 0.183346 0.060331 7C 1f-1 0.023786 0.020873 0.006720 -0.007602 0.041892 -0.008332 7C 1f+2 0.051358 -0.102383 -0.018349 0.059567 -0.156208 -0.050581 7C 1f-2 -0.072747 0.000488 -0.013987 -0.002503 0.011688 -0.011205 7C 1f+3 0.153155 -0.045300 0.006925 -0.014228 -0.024090 0.030761 7C 1f-3 -0.029080 -0.098152 -0.012154 -0.037230 0.163029 0.021331 8C 1s -0.000615 -0.000475 -0.000503 -0.000485 0.001585 0.001407 8C 2s -0.002511 -0.000093 -0.001480 -0.001462 0.005941 0.008731 8C 3s 0.221208 -0.002049 0.007972 0.027336 -0.100364 -0.302108 8C 4s -1.154988 -0.048305 -0.024696 -0.172402 0.438375 1.508576 8C 5s 0.214223 -0.156323 0.186866 0.201678 -0.673294 -0.629415 8C 1pz -0.017003 -0.003782 -0.002400 -0.004369 0.020421 0.039420 8C 1px -0.014869 0.007700 0.000862 -0.000689 0.011208 0.020199 8C 1py 0.022236 0.005698 0.006543 0.008750 -0.029803 -0.062573 8C 2pz 0.392004 0.104328 -0.000953 0.077575 -0.151990 -0.532962 8C 2px 0.277550 -0.092394 -0.016125 -0.002387 -0.061812 -0.230031 8C 2py -0.510146 -0.098605 0.000779 -0.127653 0.192864 0.780440 8C 3pz -0.022322 -0.038098 -0.029998 -0.022122 0.090453 0.062478 8C 3px 0.020065 0.003679 -0.029730 -0.032883 0.023825 -0.021187 8C 3py -0.010742 -0.047913 0.030773 0.051236 -0.117124 -0.033513 8C 1dz2 0.003897 0.006168 -0.000866 -0.001337 -0.000563 -0.006070 8C 1dxz 0.005219 -0.009027 0.001939 0.000182 -0.006700 -0.001583 8C 1dyz 0.022284 -0.010058 -0.003423 0.000391 0.008597 -0.010920 8C 1dx2y2 0.021679 -0.001837 -0.009557 -0.000590 0.010983 0.002626 8C 1dxy 0.004023 0.013840 -0.003286 -0.002945 0.007864 -0.001534 8C 2dz2 0.020412 0.024097 0.005932 0.007430 -0.017855 -0.057633 8C 2dxz -0.022517 -0.043754 0.002473 -0.016064 0.048123 0.123492 8C 2dyz 0.112626 -0.036961 -0.019311 0.028365 -0.021845 -0.152401 8C 2dx2y2 0.128633 0.077087 0.016722 0.040469 -0.064127 -0.223213 8C 2dxy 0.140499 0.012339 -0.003005 0.007608 -0.071543 -0.193705 8C 1f0 -0.022367 -0.020332 -0.005314 -0.003133 0.022691 0.047206 8C 1f+1 -0.018644 -0.027586 -0.003083 -0.001863 0.015970 0.031349 8C 1f-1 0.005884 0.019371 0.002437 -0.001814 -0.001448 -0.003502 8C 1f+2 -0.041942 0.028761 -0.003143 -0.006183 0.016408 0.052998 8C 1f-2 -0.000930 0.011679 0.004449 0.003018 0.000451 0.010714 8C 1f+3 -0.010037 0.008024 -0.010307 -0.003776 0.002199 -0.013332 8C 1f-3 -0.006451 0.011933 0.008135 -0.002058 -0.018202 -0.020514 9C 1s 0.000385 -0.001032 0.000296 -0.000529 0.001576 0.000634 9C 2s -0.000168 -0.002661 0.000510 -0.001558 0.005826 0.002497 9C 3s 0.039993 0.191161 0.007245 0.028942 -0.104856 -0.082784 9C 4s -0.160354 -1.037434 -0.053739 -0.165708 0.468290 0.408325 9C 5s 0.240059 0.056861 -0.065946 0.180417 -0.686118 -0.224408 9C 1pz 0.002875 -0.026801 -0.001334 -0.006909 0.030793 0.008914 9C 1px -0.008452 0.009569 -0.001497 -0.002158 0.003089 -0.002774 9C 1py -0.003455 -0.013854 0.002141 -0.009506 0.019109 0.021442 9C 2pz -0.028898 0.625989 0.046938 0.071410 -0.236571 -0.175240 9C 2px 0.118500 -0.091550 0.053036 0.026735 0.010120 0.018968 9C 2py 0.028634 0.383214 0.009052 0.098987 -0.141014 -0.231466 9C 3pz -0.057187 0.023176 0.016420 -0.044967 0.119952 0.008180 9C 3px -0.017584 0.031433 -0.039480 0.007720 0.017249 -0.025523 9C 3py 0.018976 0.018653 0.003886 -0.043458 0.078738 0.030752 9C 1dz2 -0.004187 -0.004560 0.001256 0.000700 -0.008118 0.007403 9C 1dxz 0.019370 -0.023349 -0.001985 -0.001863 -0.007425 0.006094 9C 1dyz -0.006668 -0.020203 -0.004987 0.003693 -0.008674 0.001045 9C 1dx2y2 0.000439 0.009791 0.004459 -0.004235 0.005982 0.005590 9C 1dxy 0.007727 -0.018335 -0.002392 0.000888 0.000134 -0.002077 9C 2dz2 0.045071 -0.133356 -0.011433 -0.004372 0.058590 0.011426 9C 2dxz 0.043867 -0.112209 0.018379 -0.038468 0.060511 0.041019 9C 2dyz -0.043703 -0.122499 -0.023962 -0.025789 0.056177 0.086272 9C 2dx2y2 -0.027270 0.134446 -0.010860 0.011346 -0.046428 -0.057965 9C 2dxy -0.014251 -0.023801 -0.010274 -0.008783 0.014550 -0.002758 9C 1f0 -0.000644 -0.025308 -0.000351 -0.004031 0.003137 0.010371 9C 1f+1 -0.019037 -0.006527 0.007455 -0.003375 0.016182 0.003725 9C 1f-1 0.010149 0.026887 0.001546 0.000962 -0.024342 -0.018870 9C 1f+2 -0.031083 0.014448 -0.006772 0.004854 -0.001516 0.003896 9C 1f-2 -0.004607 0.035447 -0.000131 0.006600 -0.008460 -0.003821 9C 1f+3 -0.030243 0.015937 -0.004608 0.005704 -0.000455 -0.000351 9C 1f-3 0.023247 -0.020606 0.008293 -0.008276 0.016313 0.007758 10H 1s -0.035428 0.035108 -0.010848 -0.002116 0.012326 -0.009393 10H 2s -0.119312 0.208529 -0.037831 0.007911 0.054609 -0.046336 10H 3s 0.056057 -0.019230 0.020876 -0.008758 0.041780 -0.011656 10H 1pz -0.038288 0.030008 -0.000997 0.007702 -0.009573 -0.000423 10H 1px 0.029335 -0.051072 0.011445 0.001963 -0.017414 0.014215 10H 1py -0.014598 0.015731 0.000190 0.004558 -0.005838 0.000438 11H 1s 0.001639 -0.026144 0.009496 0.001990 -0.015430 0.014747 11H 2s 0.049290 -0.060935 0.038950 0.006919 -0.018647 0.038142 11H 3s 0.014319 0.082184 -0.039975 0.002080 0.078477 -0.075892 11H 1pz 0.008860 -0.015780 0.007731 0.004461 -0.001565 0.016698 11H 1px 0.006872 -0.027684 0.009995 0.001382 -0.012027 0.013008 11H 1py -0.003214 -0.002134 -0.005852 0.000279 0.006150 0.000576 12H 1s -0.014033 -0.021899 -0.003689 -0.000857 -0.008161 0.000355 12H 2s 0.033557 -0.041987 -0.006721 -0.016275 -0.012793 -0.025936 12H 3s 0.026011 0.067306 -0.016541 0.023273 0.079302 -0.031244 12H 1pz 0.007478 -0.016596 0.000698 0.001745 -0.003714 -0.004531 12H 1px 0.006876 -0.021564 0.003625 -0.001546 -0.011979 0.002841 12H 1py 0.000980 -0.019928 -0.006488 -0.003655 -0.008461 -0.011131 13H 1s -0.004238 0.038549 0.005024 -0.002284 0.015360 -0.027645 13H 2s -0.009403 0.129517 -0.013276 -0.037655 0.039372 -0.093473 13H 3s 0.048420 -0.058851 0.012449 -0.003119 0.037005 -0.045299 13H 1pz -0.012967 0.033917 -0.001635 -0.005404 0.001632 -0.008416 13H 1px -0.008029 -0.025589 -0.000421 0.007385 -0.014847 0.029782 13H 1py 0.031361 -0.024772 0.006563 -0.002384 0.016214 -0.025526 14H 1s 0.002867 0.012029 -0.000984 0.003247 -0.001357 0.006362 14H 2s 0.097512 -0.043911 0.007679 -0.001375 -0.002156 0.005241 14H 3s 0.041213 -0.009094 0.000363 -0.006208 0.064305 -0.112505 14H 1pz 0.019665 -0.002297 0.001516 0.002085 0.001546 -0.002300 14H 1px 0.011713 -0.010146 -0.001375 0.004261 -0.009968 0.021517 14H 1py 0.005680 0.012978 0.001922 -0.008011 0.008102 -0.018009 15H 1s -0.028486 -0.003999 -0.006107 0.006773 -0.017585 0.032291 15H 2s -0.073760 -0.065426 -0.009105 -0.001202 -0.034040 0.087481 15H 3s 0.094172 0.012267 0.022422 -0.014835 0.081692 -0.158125 15H 1pz 0.015049 0.009759 0.007569 -0.003019 0.015333 -0.025185 15H 1px -0.010352 -0.007286 -0.001061 0.001717 -0.004680 0.015273 15H 1py 0.031781 0.013547 -0.001463 0.001816 0.006770 -0.022182 16H 1s 0.026372 0.023851 -0.309241 -0.181673 -0.048126 -0.017331 16H 2s 0.085189 -0.054383 -0.394923 -0.222702 -0.068279 -0.048229 16H 3s -0.011800 0.034343 0.093238 0.051076 -0.020021 0.009221 16H 1pz 0.044107 0.017535 -0.442408 -0.257287 -0.077846 -0.039672 16H 1px -0.007120 -0.010305 0.040121 0.019880 0.022809 0.004442 16H 1py 0.005242 0.017718 -0.095004 -0.060062 0.011976 0.002199 17H 1s -0.027892 -0.023355 -0.312127 -0.185262 -0.045175 -0.046422 17H 2s 0.041124 -0.078418 -0.391285 -0.219028 -0.061147 -0.035619 17H 3s -0.031700 0.002774 0.098808 0.054602 -0.020285 0.006879 17H 1pz 0.007394 0.024671 0.290878 0.171457 0.042478 0.048236 17H 1px 0.023398 0.035419 0.310761 0.177955 0.064456 0.016810 17H 1py -0.024945 -0.007267 -0.160351 -0.098519 0.003868 -0.021349 18H 1s 0.026646 0.023058 0.187697 -0.309200 -0.045281 0.047824 18H 2s -0.039648 0.078637 0.240286 -0.375004 -0.060756 0.035754 18H 3s 0.031799 -0.001964 -0.061821 0.094885 -0.020150 -0.007148 18H 1pz 0.007515 0.025055 0.178156 -0.291655 -0.042702 0.049767 18H 1px 0.023183 0.035856 0.189663 -0.302304 -0.064312 0.017653 18H 1py -0.024195 -0.006138 -0.089073 0.152626 -0.005448 -0.020412 19H 1s -0.026088 -0.024462 0.187579 -0.306259 -0.048610 0.019329 19H 2s -0.083283 0.055227 0.245116 -0.383473 -0.069412 0.048679 19H 3s 0.012260 -0.033815 -0.057715 0.088250 -0.020285 -0.009368 19H 1pz 0.042484 0.017483 -0.268313 0.433170 0.078721 -0.041349 19H 1px -0.006973 -0.010306 0.028003 -0.039482 -0.023399 0.004235 19H 1py 0.006292 0.017845 -0.061992 0.107776 -0.010022 0.000666 20H 1s 0.028251 0.004197 0.008272 0.002945 -0.017685 -0.031967 20H 2s 0.072197 0.064805 0.006529 -0.005643 -0.034500 -0.085920 20H 3s -0.093692 -0.012167 -0.026358 -0.001992 0.082273 0.157527 20H 1pz 0.014740 0.009649 0.007904 -0.001047 -0.015333 -0.024674 20H 1px -0.010595 -0.007375 -0.001729 -0.001025 0.005011 0.015701 20H 1py 0.031365 0.013370 -0.002399 -0.000973 -0.006900 -0.021729 21H 1s -0.002350 -0.011814 0.002544 0.002407 -0.001695 -0.006983 21H 2s -0.095880 0.043795 -0.007160 0.002304 -0.002880 -0.007130 21H 3s -0.042103 0.008854 -0.003095 -0.004883 0.064994 0.113721 21H 1pz 0.019432 -0.002194 0.000251 -0.002591 -0.001568 -0.002012 21H 1px 0.011082 -0.010247 -0.003163 -0.003050 0.010281 0.022117 21H 1py 0.005536 0.012917 0.005219 0.006122 -0.007825 -0.017565 22H 1s 0.004520 -0.038593 -0.005379 0.000494 0.015744 0.027874 22H 2s 0.010522 -0.131008 -0.005101 -0.039967 0.040514 0.094540 22H 3s -0.048309 0.059192 -0.012282 0.003274 0.036673 0.044670 22H 1pz -0.013422 0.033956 0.000932 0.005612 -0.001664 -0.008305 22H 1px -0.007925 -0.025988 -0.003771 -0.006358 0.015312 0.030279 22H 1py 0.031567 -0.025262 0.006838 -0.001176 -0.016188 -0.025203 23H 1s 0.013543 0.022034 0.002563 -0.002286 -0.008557 -0.000398 23H 2s -0.031402 0.043075 -0.002276 -0.016962 -0.013622 0.024378 23H 3s -0.025176 -0.067378 0.026261 0.012532 0.079170 0.029802 23H 1pz 0.007197 -0.015975 -0.000424 -0.001726 0.003057 -0.004822 23H 1px 0.006977 -0.021673 0.003982 -0.000434 0.011828 0.002953 23H 1py 0.000511 -0.020140 -0.003732 0.006108 0.008676 -0.010803 24H 1s -0.002519 0.025726 -0.007356 0.006203 -0.014930 -0.014265 24H 2s -0.049723 0.059795 -0.031100 0.024810 -0.017368 -0.037552 24H 3s -0.012562 -0.080894 0.037008 -0.017045 0.077073 0.073241 24H 1pz 0.009261 -0.015458 0.004699 -0.007772 0.001363 0.016538 24H 1px 0.007124 -0.027614 0.008312 -0.006099 0.011890 0.012912 24H 1py -0.003168 -0.003121 -0.005214 0.002388 -0.005494 0.000996 25H 1s 0.034950 -0.036251 0.008340 -0.006841 0.012371 0.009242 25H 2s 0.120273 -0.211850 0.036110 -0.009897 0.055005 0.044787 25H 3s -0.055090 0.020684 -0.022465 0.001961 0.041341 0.010720 25H 1pz -0.038494 0.031296 -0.004427 -0.006387 0.009175 -0.000386 25H 1px 0.029283 -0.052027 0.008903 -0.006830 0.017473 0.013769 25H 1py -0.014244 0.015228 -0.001700 -0.004355 0.006164 0.000827 26O 1s 0.003213 -0.002610 -0.000262 0.000410 -0.004921 0.000981 26O 2s 0.012886 -0.008455 0.000076 0.002598 -0.021159 0.004590 26O 3s -0.194447 0.111429 -0.021960 -0.061261 0.356813 -0.082806 26O 4s 0.550731 -0.365670 0.080002 0.233839 -1.012017 0.241755 26O 5s 0.229445 -0.457869 0.032563 0.042327 -0.144622 0.068988 26O 1pz -0.003674 0.032616 0.002248 0.005612 -0.010338 0.006532 26O 1px 0.026738 0.015949 0.009839 0.011165 -0.080756 0.022446 26O 1py 0.051787 0.040757 0.012674 0.012987 -0.033478 -0.002847 26O 2pz -0.015927 -0.000259 -0.018278 -0.028774 0.052686 -0.030648 26O 2px -0.251610 0.122970 -0.097957 -0.144028 0.626578 -0.171155 26O 2py -0.260698 -0.007527 -0.072918 -0.090179 0.256664 -0.045959 26O 3pz -0.095483 -0.010815 0.096959 0.023156 0.081445 0.058114 26O 3px -0.280050 0.434625 0.063483 -0.032396 0.126738 -0.007327 26O 3py 0.024717 0.189687 0.033904 -0.023646 0.082778 -0.078414 26O 1dz2 -0.061652 -0.045164 0.032392 -0.011602 0.063394 0.036472 26O 1dxz 0.017063 0.047348 0.024904 0.046086 -0.066985 0.010378 26O 1dyz -0.003180 -0.100992 -0.010189 -0.020267 -0.063378 0.016657 26O 1dx2y2 -0.011773 -0.046177 0.024932 0.003689 -0.061004 0.016490 26O 1dxy 0.062525 -0.002466 0.049762 0.045172 -0.112894 0.074909 26O 2dz2 -0.046998 0.023874 -0.048565 -0.032486 0.127734 -0.070041 26O 2dxz 0.014779 -0.056868 -0.017368 -0.014571 -0.014144 -0.003456 26O 2dyz 0.034599 0.012305 0.000193 0.007498 0.022808 -0.006709 26O 2dx2y2 0.028363 -0.011557 0.008917 0.031215 -0.157512 0.026023 26O 2dxy 0.108892 -0.021874 0.012741 0.026976 -0.136181 0.022053 26O 1f0 0.052946 0.064391 -0.002286 0.008796 -0.084996 0.004674 26O 1f+1 0.126795 -0.056222 0.054391 0.036135 -0.155000 0.072361 26O 1f-1 0.054411 -0.053314 0.031944 0.030100 -0.091290 0.049451 26O 1f+2 0.064794 0.032159 0.007600 -0.015135 0.101239 -0.011234 26O 1f-2 -0.045820 -0.131988 0.009670 -0.000159 0.054857 -0.006862 26O 1f+3 -0.066230 -0.116605 -0.014963 -0.014091 -0.049380 -0.021569 26O 1f-3 0.090481 0.022036 0.029354 0.040562 -0.222495 0.056180 27O 1s 0.003216 -0.002701 0.000659 0.001980 -0.004415 0.005076 27O 2s 0.014753 -0.010592 0.001496 0.008408 -0.019835 0.022793 27O 3s -0.232998 0.161264 -0.003600 -0.142192 0.349815 -0.402334 27O 4s 0.577244 -0.468364 0.008655 0.411830 -1.022234 1.183545 27O 5s -0.016352 -0.356183 -0.201923 0.046628 -0.137419 0.230297 27O 1pz 0.020873 -0.022361 0.003788 -0.002168 0.001509 -0.010961 27O 1px 0.102068 -0.028674 -0.010367 0.029470 -0.088910 0.087148 27O 1py -0.071518 -0.016194 0.000834 -0.010258 0.023969 -0.016275 27O 2pz -0.024783 0.088661 -0.019386 0.016096 -0.038862 0.053379 27O 2px -0.437077 0.285485 0.082699 -0.247715 0.707263 -0.796286 27O 2py 0.208992 -0.012424 -0.015682 0.064428 -0.149285 0.163615 27O 3pz -0.010578 -0.166506 -0.082755 -0.075150 -0.021022 0.015992 27O 3px 0.039649 0.264410 -0.110981 -0.196396 0.049820 -0.214334 27O 3py 0.014154 -0.111125 0.082761 0.125819 -0.004933 0.015640 27O 1dz2 -0.006178 0.016321 0.026217 -0.041123 0.071542 -0.026130 27O 1dxz 0.036774 -0.023664 0.006676 0.002774 -0.036800 0.018595 27O 1dyz 0.168831 0.018090 0.030684 -0.008666 0.006749 -0.215879 27O 1dx2y2 0.092545 -0.048530 0.008431 0.038936 -0.101072 0.148420 27O 1dxy -0.113230 0.019028 0.008357 -0.030579 0.135158 -0.193043 27O 2dz2 -0.097818 0.048626 0.000696 -0.042903 0.122303 -0.179345 27O 2dxz -0.021580 -0.036694 0.013764 -0.015476 0.051566 -0.043735 27O 2dyz -0.069738 0.017416 -0.019903 0.014772 -0.022780 0.146010 27O 2dx2y2 0.096166 -0.075776 -0.024609 0.081174 -0.214553 0.236458 27O 2dxy -0.073675 0.038133 0.012092 -0.032273 0.038558 -0.019928 27O 1f0 0.077922 -0.019655 0.019646 -0.008877 0.008787 -0.024995 27O 1f+1 0.172286 -0.013505 -0.017261 0.073282 -0.175339 0.221308 27O 1f-1 -0.076893 -0.045589 0.004826 -0.023750 0.046755 -0.048597 27O 1f+2 0.055523 0.016373 -0.021837 -0.004185 0.020243 -0.048419 27O 1f-2 0.106644 -0.034525 0.027355 -0.023869 0.046091 -0.112062 27O 1f+3 -0.002732 -0.136671 -0.004901 0.067263 -0.183366 0.249343 27O 1f-3 -0.257598 0.040618 0.020526 -0.072156 0.199315 -0.211471 28O 1s -0.002438 0.003670 0.000269 0.001834 -0.004196 0.001157 28O 2s -0.009944 0.016846 0.002040 0.007257 -0.018882 0.005131 28O 3s 0.149827 -0.266335 -0.049849 -0.112310 0.333447 -0.090064 28O 4s -0.397608 0.643886 0.149647 0.319717 -0.978110 0.267457 28O 5s -0.265372 0.039790 0.184275 -0.106699 -0.148487 0.082160 28O 1pz -0.042720 0.107106 0.008481 0.015932 -0.059677 0.012389 28O 1px 0.011897 -0.070403 -0.014651 -0.014337 0.061808 -0.015072 28O 1py 0.028750 0.048542 0.001986 0.005586 -0.010837 -0.001290 28O 2pz 0.255152 -0.398284 -0.086736 -0.108466 0.440891 -0.121849 28O 2px -0.141263 0.360060 0.124692 0.116403 -0.525610 0.141232 28O 2py -0.077981 -0.141881 -0.019384 -0.022711 0.062734 -0.006839 28O 3pz 0.019175 -0.029300 0.045066 -0.227194 -0.006643 0.028846 28O 3px -0.223613 -0.036517 0.021601 0.065055 -0.059733 0.061270 28O 3py 0.124394 -0.006281 0.000255 -0.059766 -0.002866 -0.032592 28O 1dz2 -0.058363 0.033880 0.002453 0.009397 -0.077522 0.140827 28O 1dxz 0.066236 -0.154742 -0.031083 -0.045972 0.135433 0.072533 28O 1dyz 0.025598 -0.080002 0.034756 -0.005362 -0.053972 0.005746 28O 1dx2y2 -0.013292 -0.010144 0.005136 0.007892 -0.040111 0.165663 28O 1dxy -0.012204 -0.142619 0.016745 -0.011733 0.054488 -0.053212 28O 2dz2 -0.059724 0.037066 -0.005175 0.005030 0.014990 -0.080774 28O 2dxz 0.080330 -0.139120 -0.037758 -0.053877 0.194354 -0.116979 28O 2dyz -0.009580 0.092404 -0.003908 0.004720 0.008884 0.006605 28O 2dx2y2 -0.032419 0.097442 0.032603 0.036871 -0.138446 -0.051848 28O 2dxy -0.015925 0.002385 -0.026984 -0.003818 0.013700 0.015935 28O 1f0 0.074931 0.040750 0.043515 0.021230 -0.076004 0.068932 28O 1f+1 -0.111570 0.238011 0.014379 0.066853 -0.182607 0.045638 28O 1f-1 0.004241 -0.217006 0.000997 0.001794 -0.011097 0.006845 28O 1f+2 0.122779 -0.125108 -0.037084 -0.062186 0.207920 -0.061121 28O 1f-2 0.062266 0.144061 0.027225 0.016876 -0.077040 0.025343 28O 1f+3 0.068602 -0.054025 -0.009110 -0.020678 0.063024 0.015125 28O 1f-3 0.012283 0.049016 0.026416 0.008452 -0.075239 0.014497 29O 1s 0.001917 -0.002250 0.012125 0.007212 0.002986 0.001252 29O 2s 0.005699 -0.006643 0.041859 0.024902 0.009252 0.004297 29O 3s -0.061494 0.070494 -0.599283 -0.356812 -0.114798 -0.060724 29O 4s 0.213392 -0.238240 1.411163 0.859854 0.242130 0.140934 29O 5s -0.520864 0.579644 -0.069557 -0.140914 0.028374 -0.004884 29O 1pz -0.017032 -0.013963 0.028796 0.017996 -0.001787 -0.004073 29O 1px -0.004417 -0.006653 -0.052421 -0.035881 0.013333 -0.008956 29O 1py 0.002196 0.003079 0.101213 0.057943 0.016821 0.014504 29O 2pz 0.087854 0.066659 -0.186152 -0.111818 -0.013773 0.004144 29O 2px 0.018328 0.040149 0.359479 0.224656 -0.006494 0.047343 29O 2py -0.005907 -0.016755 -0.584859 -0.338394 -0.092328 -0.068489 29O 3pz -0.097523 -0.011335 0.017110 -0.000653 -0.018352 -0.005453 29O 3px 0.147505 -0.207087 -0.076118 -0.014582 0.035771 0.002383 29O 3py 0.125220 -0.100702 -0.074160 -0.033183 -0.053638 -0.014724 29O 1dz2 -0.013147 0.023678 0.572137 0.329570 0.106623 0.079686 29O 1dxz -0.004962 -0.014851 0.243210 0.148976 -0.041006 0.002987 29O 1dyz -0.033020 -0.022103 0.039914 0.022340 -0.004845 -0.050726 29O 1dx2y2 -0.029694 0.013990 0.321791 0.167217 0.257594 0.010325 29O 1dxy 0.014125 -0.030217 -0.451340 -0.254311 -0.091384 0.006919 29O 2dz2 -0.006980 -0.030374 -0.148924 -0.082504 -0.040638 -0.038695 29O 2dxz 0.024769 0.017304 -0.009003 -0.006620 0.039588 0.013126 29O 2dyz -0.012766 -0.013435 0.020167 0.012161 0.012219 0.029269 29O 2dx2y2 0.012658 0.003768 -0.230379 -0.125340 -0.161542 -0.009237 29O 2dxy -0.021201 0.003261 0.062103 0.029765 0.027085 -0.025593 29O 1f0 -0.004352 0.001559 -0.217527 -0.132219 -0.015737 -0.018722 29O 1f+1 0.009932 -0.006399 0.062398 0.040873 -0.006503 -0.003120 29O 1f-1 0.023341 -0.002080 -0.307547 -0.176411 -0.056753 -0.015399 29O 1f+2 -0.005893 -0.013299 0.111612 0.069381 0.011354 0.022837 29O 1f-2 -0.004253 -0.022664 -0.189305 -0.108343 -0.034917 -0.027017 29O 1f+3 0.001693 0.009228 0.167158 0.098188 0.040422 0.017158 29O 1f-3 0.021400 -0.007386 0.064741 0.042950 -0.006694 0.020288 30O 1s -0.001616 0.003012 0.000229 0.000377 -0.005178 0.005201 30O 2s -0.004569 0.012312 0.000209 0.003160 -0.022283 0.023174 30O 3s 0.055246 -0.182795 0.008556 -0.084987 0.375556 -0.406242 30O 4s -0.210513 0.476593 -0.008756 0.317145 -1.064038 1.194047 30O 5s -0.386938 0.170578 -0.074053 0.155979 -0.078212 0.236065 30O 1pz 0.041983 0.000256 -0.000677 0.009356 -0.051014 0.046031 30O 1px -0.005040 -0.032253 0.006453 -0.011419 0.063675 -0.065558 30O 1py -0.057543 -0.055195 0.004549 -0.021688 0.050748 -0.039529 30O 2pz -0.024286 -0.061952 0.022336 -0.123634 0.359243 -0.403400 30O 2px -0.046004 0.205435 -0.046518 0.168244 -0.509180 0.580705 30O 2py 0.040226 0.258773 -0.035749 0.169045 -0.361309 0.408907 30O 3pz 0.193110 -0.227762 -0.075153 0.037258 0.089467 -0.054775 30O 3px -0.336991 0.113424 -0.000573 0.070775 -0.053956 0.180624 30O 3py -0.159840 0.010314 0.066585 -0.021629 -0.097880 0.073860 30O 1dz2 0.062513 -0.013700 -0.005587 0.035589 0.027377 -0.113889 30O 1dxz -0.029775 -0.025039 -0.010747 -0.011371 0.102283 -0.126395 30O 1dyz 0.078644 -0.006508 0.047706 -0.051944 0.114012 -0.236452 30O 1dx2y2 -0.037751 -0.033253 -0.019448 -0.014233 0.035784 -0.073610 30O 1dxy 0.066259 0.103481 -0.011384 0.073969 -0.079071 0.015326 30O 2dz2 -0.021336 -0.053282 0.015970 -0.040161 0.024924 0.005445 30O 2dxz 0.007044 -0.040459 0.022655 -0.056705 0.151415 -0.160731 30O 2dyz -0.012332 -0.070001 -0.017381 -0.010688 0.076536 -0.022141 30O 2dx2y2 0.025301 -0.007196 -0.000222 0.028855 -0.092214 0.123343 30O 2dxy -0.026226 0.067173 -0.016086 0.042780 -0.172535 0.250605 30O 1f0 0.088121 0.136276 -0.020967 0.029701 -0.108305 0.095464 30O 1f+1 0.035262 -0.029447 0.004144 0.001151 -0.068944 0.066066 30O 1f-1 0.060897 -0.072855 0.022687 -0.025225 -0.035559 -0.002838 30O 1f+2 0.144615 0.042004 0.019422 -0.025893 0.048522 -0.098050 30O 1f-2 -0.045863 -0.111030 0.014845 -0.052657 0.250040 -0.275002 30O 1f+3 0.047059 0.080164 -0.010373 0.045410 -0.119333 0.163913 30O 1f-3 0.099632 -0.032174 0.018373 -0.047136 0.152411 -0.219427 31O 1s 0.001655 -0.003043 -0.000043 0.000408 -0.005205 -0.005190 31O 2s 0.004702 -0.012428 0.001196 0.002760 -0.022402 -0.023133 31O 3s -0.056859 0.184489 -0.044898 -0.068954 0.377737 0.405671 31O 4s 0.214448 -0.481411 0.147321 0.270079 -1.070788 -1.192726 31O 5s 0.388798 -0.174670 0.123349 0.098235 -0.085617 -0.236998 31O 1pz 0.041813 0.000396 -0.004834 -0.007906 0.051136 0.045998 31O 1px -0.004710 -0.032501 0.010880 0.006742 -0.063947 -0.065410 31O 1py -0.057627 -0.055250 0.014128 0.017081 -0.050829 -0.039415 31O 2pz -0.023136 -0.063542 0.074126 0.097213 -0.361553 -0.403303 31O 2px -0.047646 0.207530 -0.115145 -0.123626 0.512650 0.580035 31O 2py 0.039727 0.260213 -0.107409 -0.131282 0.363546 0.408446 31O 3pz 0.194603 -0.229352 -0.086234 0.001610 -0.090941 -0.054578 31O 3px -0.338322 0.115745 -0.029082 -0.061180 0.056667 0.181164 31O 3py -0.161697 0.012383 0.069487 -0.012204 0.098285 0.073505 31O 1dz2 -0.063272 0.014271 0.022124 0.029587 0.028680 0.114126 31O 1dxz 0.029293 0.025392 0.005801 -0.013860 0.104288 0.126726 31O 1dyz -0.079296 0.007210 -0.065446 -0.022643 0.114593 0.236110 31O 1dx2y2 0.037699 0.033082 0.011179 -0.021400 0.036823 0.074042 31O 1dxy -0.066741 -0.103492 0.044030 0.059727 -0.078942 -0.015104 31O 2dz2 0.021689 0.053047 -0.033010 -0.028195 0.024377 -0.005738 31O 2dxz -0.007312 0.041078 -0.045538 -0.039080 0.151616 0.160372 31O 2dyz 0.012052 0.070451 0.011170 -0.017179 0.077204 0.022203 31O 2dx2y2 -0.025389 0.007198 0.012783 0.024894 -0.093279 -0.123519 31O 2dxy 0.026854 -0.067948 0.032879 0.029438 -0.173880 -0.250404 31O 1f0 0.088175 0.136349 -0.032613 -0.016228 0.108314 0.095092 31O 1f+1 0.034823 -0.029090 0.003779 -0.002743 0.069245 0.066068 31O 1f-1 0.060517 -0.072479 0.032283 0.012002 0.035868 -0.002762 31O 1f+2 0.144742 0.041698 0.028733 0.013617 -0.048794 -0.098000 31O 1f-2 -0.045026 -0.111833 0.037045 0.038928 -0.251008 -0.274615 31O 1f+3 0.046432 0.080586 -0.030335 -0.035189 0.119624 0.163697 31O 1f-3 0.099885 -0.032695 0.037466 0.032398 -0.153412 -0.219282 32O 1s -0.001885 0.002266 -0.007284 0.012040 0.002994 -0.001313 32O 2s -0.005605 0.006693 -0.025160 0.041589 0.009285 -0.004506 32O 3s 0.060631 -0.071004 0.360275 -0.595901 -0.115319 0.063486 32O 4s -0.211412 0.239171 -0.839354 1.420931 0.243455 -0.147327 32O 5s 0.516231 -0.580573 -0.005137 -0.157697 0.028149 0.007515 32O 1pz -0.016730 -0.014185 0.015584 -0.027236 0.001996 -0.004151 32O 1px -0.004180 -0.006445 -0.029848 0.056997 -0.013232 -0.009235 32O 1py 0.001903 0.002759 0.062073 -0.098755 -0.016888 0.014853 32O 2pz 0.085855 0.067784 -0.103981 0.173463 0.012526 0.004620 32O 2px 0.017375 0.039652 0.213950 -0.371156 0.005765 0.048965 32O 2py -0.004280 -0.015102 -0.357075 0.573981 0.092982 -0.070381 32O 3pz -0.097450 -0.011641 0.014936 -0.007198 0.017741 -0.005367 32O 3px 0.147080 -0.206270 -0.060473 0.048383 -0.036122 0.002727 32O 3py 0.123766 -0.101587 -0.049909 0.064334 0.053884 -0.014535 32O 1dz2 0.011270 -0.024477 -0.348804 0.558500 0.106781 -0.082997 32O 1dxz 0.004786 0.014057 -0.148582 0.251597 -0.038803 -0.004235 32O 1dyz 0.033617 0.021597 -0.043726 0.068141 0.004637 0.046859 32O 1dx2y2 0.029413 -0.015222 -0.208156 0.304079 0.259928 -0.013099 32O 1dxy -0.014576 0.029674 0.272705 -0.427805 -0.089438 -0.007363 32O 2dz2 0.006126 0.029800 0.092110 -0.142223 -0.040592 0.039756 32O 2dxz -0.024894 -0.017647 0.006133 -0.011635 0.038591 -0.013071 32O 2dyz 0.012041 0.014317 -0.005533 0.010144 0.007666 -0.027613 32O 2dx2y2 -0.013043 -0.003838 0.145356 -0.220930 -0.162928 0.010830 32O 2dxy 0.020578 -0.003441 -0.039183 0.053227 0.026052 0.026176 32O 1f0 -0.004779 0.001653 -0.118806 0.201188 0.012957 -0.019016 32O 1f+1 0.009660 -0.005938 0.043122 -0.077430 0.004631 -0.000999 32O 1f-1 0.022641 -0.002241 -0.193539 0.309050 0.057903 -0.017359 32O 1f+2 -0.005897 -0.013625 0.074524 -0.127764 -0.013674 0.024695 32O 1f-2 -0.003589 -0.023026 -0.114658 0.182027 0.035664 -0.027584 32O 1f+3 0.000834 0.008743 0.097263 -0.158732 -0.039686 0.016762 32O 1f-3 0.021320 -0.006963 0.036283 -0.067027 0.006381 0.020150 33O 1s 0.002447 -0.003726 0.000624 0.001766 -0.004167 -0.001132 33O 2s 0.009985 -0.017047 0.001623 0.007433 -0.018752 -0.005029 33O 3s -0.150639 0.268944 -0.009508 -0.123355 0.331157 0.088418 33O 4s 0.400320 -0.650346 0.021435 0.355028 -0.971134 -0.262431 33O 5s 0.266780 -0.041772 -0.201398 -0.006469 -0.144980 -0.081320 33O 1pz -0.042815 0.107392 0.000225 -0.017794 0.059415 0.012173 33O 1px 0.012166 -0.070995 -0.006302 0.019530 -0.061510 -0.014854 33O 1py 0.028507 0.048536 -0.000774 -0.005736 0.011025 -0.001216 33O 2pz 0.256098 -0.400613 -0.024376 0.135832 -0.437764 -0.119685 33O 2px -0.143277 0.363278 0.053640 -0.162001 0.522257 0.139022 33O 2py -0.076681 -0.142302 -0.006382 0.028854 -0.063352 -0.006960 33O 3pz 0.020252 -0.030939 0.151016 0.180214 0.007832 0.028209 33O 3px -0.224550 -0.034788 -0.016297 -0.068443 0.057994 0.060862 33O 3py 0.125440 -0.007039 0.030231 0.053873 0.003296 -0.032687 33O 1dz2 0.057961 -0.034031 0.002595 0.009536 -0.077159 -0.140871 33O 1dxz -0.066120 0.155102 0.005576 -0.055758 0.133814 -0.073069 33O 1dyz -0.024764 0.079051 -0.032723 0.011391 -0.052924 -0.005384 33O 1dx2y2 0.013981 0.009181 0.000159 0.009518 -0.040335 -0.165267 33O 1dxy 0.011096 0.142358 -0.020053 -0.002837 0.055092 0.053415 33O 2dz2 0.059588 -0.037348 0.006941 0.001802 0.015312 0.081129 33O 2dxz -0.081035 0.140252 0.007206 -0.064874 0.193332 0.116100 33O 2dyz 0.010034 -0.092502 0.005728 0.002777 0.008274 -0.006772 33O 2dx2y2 0.032755 -0.097725 -0.011465 0.047804 -0.137403 0.052209 33O 2dxy 0.015476 -0.001666 0.021663 -0.016097 0.013445 -0.016072 33O 1f0 0.074451 0.040863 0.028145 -0.039233 0.075702 0.068826 33O 1f+1 -0.110889 0.238423 -0.018452 -0.065136 0.181129 0.044598 33O 1f-1 0.005278 -0.216972 -0.000074 -0.001702 0.010667 0.006695 33O 1f+2 0.123339 -0.126469 -0.003671 0.071682 -0.206770 -0.060346 33O 1f-2 0.060424 0.145429 0.016016 -0.028115 0.077025 0.025229 33O 1f+3 0.069179 -0.054728 0.001497 0.022177 -0.062748 0.015330 33O 1f-3 0.010805 0.050317 0.019240 -0.019928 0.075079 0.014273 34O 1s -0.003263 0.002740 0.000329 0.002075 -0.004424 -0.005073 34O 2s -0.014917 0.010731 0.002525 0.008182 -0.019885 -0.022785 34O 3s 0.235141 -0.163071 -0.061298 -0.128010 0.350887 0.402289 34O 4s -0.583284 0.473226 0.178278 0.370575 -1.025271 -1.183575 34O 5s 0.014724 0.357071 0.189472 -0.046098 -0.138792 -0.231647 34O 1pz 0.020707 -0.022340 0.004358 0.000243 -0.001615 -0.010956 34O 1px 0.102451 -0.029169 -0.022551 -0.020876 0.089311 0.087127 34O 1py -0.071487 -0.016197 0.005477 0.008386 -0.024167 -0.016247 34O 2pz -0.024345 0.088570 -0.024579 -0.005666 0.039232 0.053484 34O 2px -0.440260 0.288399 0.183528 0.180404 -0.710170 -0.796332 34O 2py 0.209689 -0.013031 -0.042776 -0.049028 0.150361 0.163652 34O 3pz -0.011165 -0.166956 -0.037346 0.104915 0.020814 0.015863 34O 3px 0.037668 0.264894 -0.010813 0.230273 -0.049875 -0.215659 34O 3py 0.014772 -0.111716 0.015359 -0.152348 0.003861 0.016534 34O 1dz2 0.006879 -0.016796 -0.041711 -0.024458 0.071486 0.026052 34O 1dxz -0.036569 0.023350 -0.004374 0.005296 -0.036989 -0.018296 34O 1dyz -0.167992 -0.018425 -0.030011 0.007034 0.007577 0.215977 34O 1dx2y2 -0.092601 0.048562 0.010046 0.038735 -0.101345 -0.148495 34O 1dxy 0.113216 -0.019325 -0.021065 -0.023128 0.135749 0.193184 34O 2dz2 0.098123 -0.048966 -0.019832 -0.037437 0.122995 0.179407 34O 2dxz 0.021501 0.036824 -0.019458 -0.007191 0.051801 0.043677 34O 2dyz 0.069375 -0.017316 0.023846 0.003383 -0.023381 -0.146072 34O 2dx2y2 -0.096886 0.076374 0.058052 0.059746 -0.215652 -0.236419 34O 2dxy 0.074348 -0.038681 -0.025197 -0.023220 0.038624 0.019946 34O 1f0 0.077694 -0.019535 0.021439 -0.001139 -0.008793 -0.025077 34O 1f+1 0.172749 -0.014083 -0.048879 -0.056035 0.176226 0.221264 34O 1f-1 -0.077146 -0.045475 0.015302 0.018713 -0.046909 -0.048496 34O 1f+2 0.055170 0.016466 -0.017631 0.013629 -0.020484 -0.048264 34O 1f-2 0.106216 -0.034538 0.034870 0.008154 -0.046539 -0.112087 34O 1f+3 -0.002286 -0.137050 -0.034606 -0.055862 0.184761 0.249304 34O 1f-3 -0.258235 0.041433 0.050953 0.053733 -0.200104 -0.211348 35O 1s -0.003231 0.002673 0.000407 0.000227 -0.004904 -0.000971 35O 2s -0.012959 0.008700 0.001115 0.002273 -0.021080 -0.004532 35O 3s 0.195515 -0.115040 -0.009617 -0.063057 0.355474 0.081647 35O 4s -0.553729 0.376296 0.042082 0.238959 -1.008480 -0.238182 35O 5s -0.234337 0.465962 0.003937 0.040784 -0.147831 -0.068179 35O 1pz -0.003786 0.032748 -0.000664 -0.006254 0.010186 0.006451 35O 1px 0.027040 0.015159 0.003614 -0.014551 0.080342 0.022215 35O 1py 0.052070 0.040229 0.005055 -0.017593 0.033294 -0.002911 35O 2pz -0.015784 0.000027 -0.001863 0.034228 -0.051896 -0.030189 35O 2px -0.253739 0.129153 -0.016161 0.169721 -0.624184 -0.168836 35O 2py -0.262537 -0.003181 -0.020336 0.112960 -0.255836 -0.045211 35O 3pz -0.093733 -0.011012 0.073479 -0.065341 -0.081540 0.057905 35O 3px -0.280364 0.437859 0.075418 -0.004481 -0.127054 -0.007260 35O 3py 0.025004 0.191141 0.041178 0.005396 -0.082908 -0.078588 35O 1dz2 0.061455 0.045057 -0.034440 0.006029 0.064638 -0.036981 35O 1dxz -0.016621 -0.048370 -0.000075 0.052072 -0.066556 -0.009946 35O 1dyz 0.003421 0.101872 -0.000059 -0.023623 -0.062964 -0.016377 35O 1dx2y2 0.012158 0.045854 -0.020035 0.014333 -0.060278 -0.016209 35O 1dxy -0.063751 0.004081 -0.022318 0.062599 -0.112327 -0.074479 35O 2dz2 0.047443 -0.025082 0.027271 -0.051496 0.126295 0.069720 35O 2dxz -0.014821 0.057578 0.008704 -0.021314 -0.013981 0.003545 35O 2dyz -0.034626 -0.012222 0.003223 0.006877 0.022620 0.006667 35O 2dx2y2 -0.028418 0.012062 0.007256 0.031028 -0.156921 -0.025282 35O 2dxy -0.109422 0.023847 0.001928 0.029449 -0.135926 -0.021660 35O 1f0 0.052128 0.064542 -0.006059 -0.006636 0.084118 0.004268 35O 1f+1 0.126901 -0.057315 0.031016 -0.057654 0.153623 0.071747 35O 1f-1 0.055269 -0.054702 0.013994 -0.041857 0.090547 0.049256 35O 1f+2 0.064813 0.032062 0.013952 0.009532 -0.100359 -0.010817 35O 1f-2 -0.044996 -0.131858 0.008127 -0.004161 -0.054558 -0.006611 35O 1f+3 -0.067502 -0.115028 -0.006665 0.020138 0.048655 -0.022201 35O 1f-3 0.091587 0.020026 0.007405 -0.050025 0.221524 0.055389 684 685 686 687 688 689 6.30798 6.31012 6.34871 6.37738 6.37977 6.40709 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s 0.000020 -0.000147 0.000019 0.000080 -0.000201 0.000031 0Rh 2s -0.000218 0.000845 -0.000032 -0.000467 0.001212 -0.000186 0Rh 3s -0.000008 -0.000395 0.000095 0.000209 -0.000508 0.000077 0Rh 4s 0.001350 -0.005596 0.000280 0.003110 -0.008024 0.001217 0Rh 5s -0.003927 0.015512 -0.000753 -0.008779 0.022582 -0.003314 0Rh 6s 0.005821 -0.018112 0.000476 0.010688 -0.027551 0.003655 0Rh 7s -0.019263 0.036540 -0.001152 -0.029468 0.067727 -0.008916 0Rh 8s -0.011875 0.013919 0.004604 0.004421 0.012429 -0.004467 0Rh 1pz 0.015185 0.024889 0.000076 0.008768 -0.000528 -0.007987 0Rh 1px 0.003824 0.003268 0.000447 0.003265 0.002332 -0.003024 0Rh 1py 0.002451 0.031651 0.001632 0.000931 -0.011729 0.000097 0Rh 2pz -0.063587 -0.104200 -0.000296 -0.036245 0.002137 0.033724 0Rh 2px -0.015995 -0.013636 -0.001871 -0.013534 -0.009674 0.012776 0Rh 2py -0.010273 -0.132554 -0.006831 -0.003950 0.048668 -0.000427 0Rh 3pz 0.210395 0.344371 0.000490 0.108859 -0.005360 -0.116610 0Rh 3px 0.052570 0.044110 0.006198 0.041527 0.029819 -0.044347 0Rh 3py 0.034180 0.438967 0.022485 0.014117 -0.150432 0.001765 0Rh 4pz -0.279577 -0.456625 0.001165 -0.101234 0.000875 0.165955 0Rh 4px -0.068774 -0.055590 -0.008157 -0.042365 -0.030609 0.063915 0Rh 4py -0.046012 -0.584207 -0.029156 -0.022165 0.157253 -0.002835 0Rh 5pz 0.165428 0.269924 -0.004928 -0.060006 0.016181 -0.107166 0Rh 5px 0.039017 0.028356 0.004402 -0.010207 -0.010487 -0.043588 0Rh 5py 0.028109 0.347790 0.013841 0.019992 0.029247 0.001685 0Rh 6pz -0.105803 -0.162487 -0.050676 0.459707 -0.104156 0.307109 0Rh 6px -0.009877 -0.051941 -0.026858 0.121171 0.165566 0.140961 0Rh 6py -0.016811 -0.228325 0.028837 -0.012141 -0.566955 -0.072800 0Rh 1dz2 0.000731 0.001842 0.006831 -0.009489 0.001538 0.008485 0Rh 1dxz -0.001134 -0.001443 0.000870 0.013906 -0.000892 -0.009614 0Rh 1dyz -0.000167 0.000072 0.019655 0.000929 0.004968 0.001483 0Rh 1dx2y2 -0.000491 -0.000690 0.003285 0.005299 0.003986 -0.003877 0Rh 1dxy -0.000106 -0.002310 0.008184 -0.000508 -0.013944 0.003119 0Rh 2dz2 -0.000376 -0.000870 -0.003277 0.003859 -0.000611 -0.003254 0Rh 2dxz 0.000735 0.001147 -0.000279 -0.005597 0.000390 0.003937 0Rh 2dyz 0.000131 0.000016 -0.009145 -0.000334 -0.002045 -0.000626 0Rh 2dx2y2 0.000186 -0.000052 -0.001532 -0.002097 -0.001747 0.001604 0Rh 2dxy 0.000044 0.001465 -0.003732 0.000237 0.005542 -0.001307 0Rh 3dz2 -0.002143 -0.005769 -0.022321 0.033444 -0.005501 -0.030967 0Rh 3dxz 0.002548 0.002215 -0.003314 -0.049311 0.003026 0.033814 0Rh 3dyz 0.000274 -0.000478 -0.065253 -0.003372 -0.017486 -0.005156 0Rh 3dx2y2 0.001799 0.004068 -0.010865 -0.018917 -0.013510 0.013542 0Rh 3dxy 0.000369 0.005399 -0.027500 0.001742 0.049843 -0.010876 0Rh 4dz2 0.003920 0.011032 0.054960 -0.072682 0.012113 0.067686 0Rh 4dxz -0.003239 -0.000676 0.006543 0.107116 -0.006639 -0.071790 0Rh 4dyz -0.000286 0.001016 0.157288 0.006154 0.038598 0.011455 0Rh 4dx2y2 -0.004167 -0.010967 0.025556 0.040852 0.029243 -0.028709 0Rh 4dxy -0.000866 -0.007917 0.065908 -0.004460 -0.108545 0.023296 0Rh 5dz2 0.002083 -0.000852 -0.095443 0.101296 -0.016483 -0.087477 0Rh 5dxz -0.013630 -0.033673 -0.005893 -0.151181 0.010553 0.082575 0Rh 5dyz -0.000371 0.007490 -0.260905 -0.007055 -0.055379 -0.016217 0Rh 5dx2y2 0.006535 0.030715 -0.039736 -0.056302 -0.042263 0.034224 0Rh 5dxy 0.001184 -0.018176 -0.108629 0.007174 0.154682 -0.027049 0Rh 1f0 0.001919 -0.003577 0.004242 0.012224 0.014433 -0.013139 0Rh 1f+1 0.000656 -0.000470 -0.005222 0.007146 0.001537 -0.014970 0Rh 1f-1 -0.004270 -0.015009 0.004055 -0.016654 0.016684 0.006258 0Rh 1f+2 0.004187 0.003396 0.004139 0.014704 0.007532 -0.000358 0Rh 1f-2 -0.000203 -0.005788 -0.011712 -0.000750 0.009926 0.003073 0Rh 1f+3 -0.001745 -0.000812 0.000402 -0.007704 -0.002245 -0.000686 0Rh 1f-3 0.000982 0.002603 0.006698 0.003161 -0.006140 -0.000440 1Rh 1s -0.000015 0.000148 0.000016 0.000078 -0.000206 -0.000036 1Rh 2s 0.000196 -0.000844 -0.000017 -0.000451 0.001251 0.000220 1Rh 3s 0.000026 0.000403 0.000090 0.000208 -0.000515 -0.000089 1Rh 4s -0.001199 0.005594 0.000177 0.003006 -0.008274 -0.001443 1Rh 5s 0.003510 -0.015514 -0.000469 -0.008474 0.023296 0.003964 1Rh 6s -0.005424 0.018067 0.000130 0.010254 -0.028504 -0.004521 1Rh 7s 0.019318 -0.036208 -0.000606 -0.028987 0.070508 0.012158 1Rh 8s 0.012577 -0.013055 0.005984 0.006190 0.013395 0.004008 1Rh 1pz 0.015055 0.024938 0.000040 -0.008755 0.000536 -0.008233 1Rh 1px 0.003859 0.003267 -0.000439 -0.003246 -0.002405 -0.003094 1Rh 1py 0.002386 0.031684 -0.001701 -0.000968 0.011761 0.000527 1Rh 2pz -0.063040 -0.104405 -0.000192 0.036191 -0.002172 0.034752 1Rh 2px -0.016143 -0.013632 0.001837 0.013451 0.009982 0.013066 1Rh 2py -0.009999 -0.132692 0.007122 0.004103 -0.048804 -0.002230 1Rh 3pz 0.208544 0.345060 0.001125 -0.108677 0.005502 -0.120019 1Rh 3px 0.053087 0.044107 -0.006063 -0.041233 -0.030846 -0.045259 1Rh 3py 0.033249 0.439431 -0.023495 -0.014644 0.150888 0.007733 1Rh 4pz -0.276997 -0.457548 -0.003308 0.100986 -0.001147 0.170451 1Rh 4px -0.069564 -0.055619 0.007902 0.041909 0.031998 0.064918 1Rh 4py -0.044705 -0.584831 0.030616 0.022906 -0.157867 -0.010663 1Rh 5pz 0.163777 0.270441 0.006197 0.060155 -0.015831 -0.109366 1Rh 5px 0.039673 0.028409 -0.004080 0.010676 0.009643 -0.043425 1Rh 5py 0.027266 0.348137 -0.014858 -0.020461 -0.028904 0.005414 1Rh 6pz -0.107025 -0.163496 0.049224 -0.460138 0.101456 0.295735 1Rh 6px -0.009646 -0.051191 0.025507 -0.124667 -0.163347 0.131000 1Rh 6py -0.019061 -0.230072 -0.024968 0.012958 0.567324 -0.054589 1Rh 1dz2 -0.000775 -0.001898 0.006846 -0.009505 0.001631 -0.008292 1Rh 1dxz 0.001122 0.001423 0.000875 0.013878 -0.000956 0.009557 1Rh 1dyz 0.000160 -0.000112 0.019660 0.000960 0.005052 -0.001361 1Rh 1dx2y2 0.000529 0.000687 0.003229 0.005248 0.003961 0.003821 1Rh 1dxy 0.000092 0.002264 0.008267 -0.000458 -0.013900 -0.002843 1Rh 2dz2 0.000392 0.000891 -0.003283 0.003857 -0.000647 0.003162 1Rh 2dxz -0.000735 -0.001139 -0.000282 -0.005590 0.000413 -0.003914 1Rh 2dyz -0.000127 -0.000002 -0.009148 -0.000345 -0.002079 0.000583 1Rh 2dx2y2 -0.000194 0.000058 -0.001514 -0.002079 -0.001734 -0.001575 1Rh 2dxy -0.000037 -0.001446 -0.003766 0.000218 0.005526 0.001181 1Rh 3dz2 0.002303 0.005976 -0.022370 0.033545 -0.005832 0.030352 1Rh 3dxz -0.002485 -0.002140 -0.003331 -0.049187 0.003269 -0.033612 1Rh 3dyz -0.000251 0.000634 -0.065265 -0.003485 -0.017788 0.004678 1Rh 3dx2y2 -0.001965 -0.004077 -0.010645 -0.018722 -0.013444 -0.013383 1Rh 3dxy -0.000327 -0.005243 -0.027788 0.001560 0.049675 0.009964 1Rh 4dz2 -0.004263 -0.011492 0.055067 -0.072975 0.012813 -0.066398 1Rh 4dxz 0.003095 0.000529 0.006584 0.106814 -0.007183 0.071358 1Rh 4dyz 0.000232 -0.001403 0.157331 0.006386 0.039248 -0.010246 1Rh 4dx2y2 0.004520 0.010973 0.025045 0.040428 0.029150 0.028427 1Rh 4dxy 0.000768 0.007562 0.066507 -0.004069 -0.108169 -0.021378 1Rh 5dz2 -0.001656 0.001541 -0.095730 0.102125 -0.017162 0.086040 1Rh 5dxz 0.013755 0.033864 -0.005989 -0.150584 0.011305 -0.082222 1Rh 5dyz 0.000370 -0.006818 -0.261196 -0.006986 -0.055885 0.014038 1Rh 5dx2y2 -0.006930 -0.030699 -0.038807 -0.055857 -0.042333 -0.034182 1Rh 5dxy -0.001083 0.018706 -0.109263 0.006709 0.154283 0.025077 1Rh 1f0 0.001903 -0.003597 -0.004187 -0.012235 -0.014379 -0.013213 1Rh 1f+1 0.000621 -0.000444 0.005252 -0.007103 -0.001467 -0.014956 1Rh 1f-1 -0.004300 -0.015010 -0.004072 0.016658 -0.016703 0.006254 1Rh 1f+2 0.004231 0.003412 -0.004060 -0.014653 -0.007533 -0.000305 1Rh 1f-2 -0.000218 -0.005792 0.011701 0.000711 -0.009980 0.003139 1Rh 1f+3 -0.001731 -0.000789 -0.000396 0.007695 0.002279 -0.000736 1Rh 1f-3 0.000956 0.002625 -0.006757 -0.003194 0.006189 -0.000401 2C 1s -0.000537 -0.001429 0.002078 -0.000153 0.000153 -0.000375 2C 2s -0.003077 -0.008594 0.005398 -0.000439 0.000222 -0.000076 2C 3s 0.109120 0.296402 0.045777 0.007203 0.001655 -0.078614 2C 4s -0.550330 -1.475287 -0.337378 -0.024390 -0.030903 0.422779 2C 5s 0.235020 0.624819 -0.821302 0.077254 -0.023719 0.050278 2C 1pz 0.020941 0.063696 -0.014690 0.000020 0.001742 -0.001788 2C 1px 0.000696 0.007957 0.000556 0.001640 -0.002613 0.002284 2C 1py 0.017145 0.039007 -0.011145 0.000707 -0.000881 -0.016620 2C 2pz -0.256219 -0.799705 -0.186637 0.030271 -0.010127 0.212044 2C 2px -0.004738 -0.066645 -0.094706 0.013604 0.004312 0.024608 2C 2py -0.262207 -0.506407 -0.110880 -0.024573 -0.061807 0.251729 2C 3pz 0.004272 0.051944 -0.187284 -0.007678 -0.005100 0.038383 2C 3px -0.012666 -0.040883 -0.019882 0.011688 0.008025 0.006705 2C 3py 0.030398 0.028282 -0.117006 0.012165 0.009265 0.014133 2C 1dz2 -0.003909 -0.000031 -0.023275 0.003889 -0.005933 0.021590 2C 1dxz -0.005669 0.004700 -0.014333 -0.008293 0.000314 0.012446 2C 1dyz -0.001949 -0.009753 -0.033929 0.003347 -0.001673 0.010354 2C 1dx2y2 -0.005760 -0.003093 0.016832 -0.003615 -0.002097 0.001775 2C 1dxy 0.001040 -0.007654 -0.004130 -0.002005 0.006313 -0.002602 2C 2dz2 -0.079432 -0.180976 -0.032861 -0.010286 -0.038832 0.025698 2C 2dxz -0.071152 -0.165483 0.048049 -0.020853 0.004631 0.009306 2C 2dyz -0.074221 -0.215048 -0.076801 0.018125 -0.002110 0.116686 2C 2dx2y2 0.042701 0.112513 -0.015668 0.000612 -0.009055 -0.041960 2C 2dxy -0.000003 -0.054306 -0.010694 0.003686 0.023236 -0.005679 2C 1f0 -0.017969 0.007157 -0.014099 -0.008330 -0.031860 0.005752 2C 1f+1 0.023451 0.014252 -0.029145 0.007362 0.024433 0.009954 2C 1f-1 -0.010370 -0.065499 -0.004205 0.012294 0.009578 0.017401 2C 1f+2 0.008992 0.001472 0.027478 0.004872 0.010901 -0.015498 2C 1f-2 -0.027324 -0.028222 -0.003244 -0.027661 -0.004107 0.000466 2C 1f+3 -0.027427 0.000833 0.006275 -0.021151 -0.024259 0.004003 2C 1f-3 0.008326 0.031836 -0.024689 0.003935 -0.009182 0.001598 3C 1s -0.000074 0.000849 -0.001963 0.000117 0.000014 -0.001253 3C 2s -0.001302 0.003280 -0.005061 0.000243 -0.000372 -0.001154 3C 3s 0.048479 -0.109272 -0.050900 0.010490 0.015322 -0.069177 3C 4s -0.245220 0.540689 0.362112 -0.051875 -0.077050 0.368987 3C 5s 0.071547 -0.317973 0.800841 0.050236 0.187184 0.132061 3C 1pz 0.004217 -0.024273 0.010368 -0.002012 0.000614 0.009659 3C 1px 0.001780 -0.008274 0.002658 0.002382 0.002955 -0.001035 3C 1py -0.013215 0.012055 -0.011954 0.001315 -0.000831 0.013843 3C 2pz -0.090832 0.297127 0.074349 0.025267 -0.035119 -0.006777 3C 2px -0.046477 0.110800 0.117920 0.014404 -0.030302 0.072672 3C 2py 0.117486 -0.218814 -0.209727 0.043445 -0.001784 -0.237045 3C 3pz 0.007453 -0.051346 0.107338 -0.004767 0.019717 0.045683 3C 3px 0.011294 -0.003749 0.056609 -0.006335 0.025926 0.007492 3C 3py 0.002747 0.003196 -0.177941 -0.007401 -0.022564 -0.033559 3C 1dz2 0.001020 -0.005731 -0.002486 0.000724 0.002729 0.005659 3C 1dxz 0.000873 -0.005234 0.015278 -0.005568 -0.001861 0.013128 3C 1dyz -0.000329 0.001525 -0.026619 0.003126 -0.006558 -0.017575 3C 1dx2y2 -0.001726 -0.010340 -0.025388 -0.002706 -0.002917 0.001988 3C 1dxy 0.002564 -0.005900 -0.021830 0.001652 0.008521 -0.006265 3C 2dz2 0.025335 0.025274 -0.013266 0.001837 0.008401 -0.062751 3C 2dxz -0.011560 0.055740 -0.007784 -0.013316 -0.011005 -0.004280 3C 2dyz 0.008744 -0.069620 -0.093320 0.014051 -0.011201 -0.063601 3C 2dx2y2 0.063517 -0.076789 -0.001505 -0.026652 0.015448 -0.028323 3C 2dxy 0.019545 -0.074229 -0.007303 0.016033 0.012283 -0.014761 3C 1f0 0.028348 -0.025338 0.011163 -0.023442 0.017386 0.002275 3C 1f+1 -0.008670 -0.003388 0.020430 0.017509 -0.007232 0.012454 3C 1f-1 -0.018766 -0.001079 0.000344 0.012577 -0.019746 0.005495 3C 1f+2 -0.001497 -0.012718 -0.004802 0.009744 -0.013125 -0.019409 3C 1f-2 0.015112 -0.011649 -0.024996 -0.006426 0.023873 -0.020181 3C 1f+3 0.019370 -0.003793 0.022425 -0.030722 0.007216 0.015079 3C 1f-3 -0.000237 0.005891 -0.024171 -0.009945 -0.011502 -0.006000 4C 1s 0.020563 0.059543 -0.054400 0.002607 -0.000392 0.003636 4C 2s 0.030427 0.087988 -0.078958 0.003937 -0.000620 0.003472 4C 3s -0.144136 -0.413796 -0.028838 0.007591 -0.002843 0.132256 4C 4s -0.218497 -0.662455 2.578600 -0.156007 0.022603 -0.713269 4C 5s -0.099309 -0.222501 -0.121647 -0.028809 -0.039221 0.052654 4C 1pz -0.026277 -0.085205 0.137629 0.005324 -0.005801 -0.019691 4C 1px -0.005662 -0.017928 0.020447 -0.042160 0.030858 -0.000181 4C 1py -0.019573 -0.056996 0.089623 -0.012210 0.008516 -0.008684 4C 2pz -0.526665 -1.448061 0.608636 -0.150735 0.078291 0.197404 4C 2px -0.140779 -0.268442 0.141429 0.351836 -0.329219 0.053148 4C 2py -0.358692 -1.005550 0.431283 0.034557 -0.084969 -0.016028 4C 3pz 0.002499 0.031586 -0.786135 0.013928 -0.004248 0.104080 4C 3px -0.002222 -0.002104 -0.167510 -0.046804 -0.007448 0.016375 4C 3py -0.006165 0.014188 -0.545884 -0.009828 -0.006466 0.079428 4C 1dz2 0.034215 0.146752 -0.143746 -0.011440 -0.002845 0.035592 4C 1dxz 0.087175 0.232709 -0.248053 0.043117 -0.003056 0.040964 4C 1dyz -0.005254 -0.061737 0.047302 0.009600 0.015696 -0.022958 4C 1dx2y2 -0.115705 -0.368781 0.386982 -0.003265 0.023105 -0.007816 4C 1dxy -0.084490 -0.164834 0.176780 -0.018167 -0.046098 -0.017997 4C 2dz2 0.129422 0.264992 -0.024272 -0.067990 0.053635 -0.104660 4C 2dxz 0.085903 0.242772 -0.114576 0.129746 -0.064880 -0.053080 4C 2dyz 0.088029 0.275110 0.182226 -0.011728 0.032849 -0.098303 4C 2dx2y2 -0.133068 -0.364325 0.246256 -0.013168 -0.014647 -0.045977 4C 2dxy -0.019860 -0.067490 0.187252 0.066059 -0.078936 -0.062483 4C 1f0 -0.003556 0.114188 -0.113303 -0.049059 -0.045074 -0.009384 4C 1f+1 0.126872 0.210645 -0.241690 0.073787 0.036205 0.005524 4C 1f-1 0.033301 0.012467 -0.090162 0.004219 0.056734 0.039925 4C 1f+2 -0.041056 -0.191866 0.212818 -0.009402 0.047813 -0.024045 4C 1f-2 -0.031704 0.021589 -0.023950 0.022094 -0.080817 0.061998 4C 1f+3 -0.054504 -0.020014 0.013247 -0.065439 -0.062707 -0.063131 4C 1f-3 0.053341 0.221770 -0.204137 -0.037924 0.005790 0.095575 5C 1s 0.010889 -0.017499 0.051149 -0.004007 0.003120 0.004294 5C 2s 0.015920 -0.026098 0.074302 -0.005676 0.004492 0.004783 5C 3s -0.069199 0.138936 0.039794 -0.010777 -0.005258 0.112660 5C 4s -0.146107 0.099886 -2.488372 0.234710 -0.120870 -0.626202 5C 5s -0.007593 0.127227 0.122097 -0.013141 -0.083986 0.048699 5C 1pz -0.007425 0.018919 -0.075847 0.015564 0.009851 -0.008130 5C 1px -0.006535 0.009555 -0.050965 -0.026810 -0.041894 -0.010050 5C 1py 0.016707 -0.017266 0.127981 -0.015559 -0.002574 0.011174 5C 2pz -0.160569 0.241707 -0.357844 -0.074055 -0.160809 0.132939 5C 2px -0.148268 0.142566 -0.211973 0.337367 0.327138 0.011549 5C 2py 0.230117 -0.532633 0.560275 0.017268 0.142132 0.001663 5C 3pz -0.001403 -0.012023 0.481492 0.014887 0.050915 0.064535 5C 3px 0.000253 -0.004705 0.272497 -0.033941 0.017334 0.048459 5C 3py -0.012687 0.014070 -0.777330 -0.007843 -0.091030 -0.128883 5C 1dz2 0.049018 -0.088034 0.210814 -0.042128 0.021893 0.051772 5C 1dxz 0.011960 -0.072877 0.230385 0.022991 -0.001718 0.035886 5C 1dyz 0.029196 -0.026219 0.128569 -0.003156 0.016304 -0.004066 5C 1dx2y2 -0.070953 0.084339 -0.339110 0.037452 -0.010032 -0.015091 5C 1dxy -0.034144 0.032177 -0.096053 0.017871 -0.046237 0.008200 5C 2dz2 0.040107 0.045961 0.190551 -0.064020 -0.016362 0.000927 5C 2dxz 0.066501 -0.065863 0.125411 0.045384 0.057613 -0.022380 5C 2dyz -0.044411 0.021674 0.231670 0.022585 0.046073 0.132558 5C 2dx2y2 -0.060036 0.190242 -0.146558 0.080337 0.027666 -0.027771 5C 2dxy -0.018927 0.098172 0.007715 -0.086975 -0.119803 0.041038 5C 1f0 0.063934 -0.030640 0.051546 -0.041268 0.069179 -0.037663 5C 1f+1 -0.001544 -0.005867 0.146806 0.021714 -0.061226 -0.034955 5C 1f-1 -0.026946 0.013584 -0.015534 0.053825 -0.001420 -0.022344 5C 1f+2 -0.029516 -0.014332 -0.061165 0.035474 -0.008071 0.033101 5C 1f-2 0.002599 0.039125 -0.183000 -0.064691 -0.032389 -0.040637 5C 1f+3 0.092374 -0.062503 0.195741 -0.090170 0.071302 0.035546 5C 1f-3 -0.017004 0.084832 -0.222776 0.018065 0.032503 -0.106812 6C 1s -0.011109 0.017191 0.051107 -0.004008 0.003140 -0.004039 6C 2s -0.016250 0.025631 0.074224 -0.005687 0.004511 -0.004391 6C 3s 0.070277 -0.137627 0.041005 -0.009904 -0.004801 -0.112212 6C 4s 0.150588 -0.092206 -2.491165 0.231192 -0.123118 0.611093 6C 5s 0.008496 -0.127529 0.123299 -0.012895 -0.084648 -0.046225 6C 1pz -0.007694 0.018475 0.075782 -0.015505 -0.009929 -0.007583 6C 1px -0.006673 0.009343 0.051185 0.026793 0.042127 -0.009863 6C 1py 0.017181 -0.016479 -0.127963 0.015469 0.002631 0.010360 6C 2pz -0.162445 0.239128 0.355888 0.072468 0.160881 0.134284 6C 2px -0.150015 0.141184 0.211049 -0.334578 -0.327156 0.009102 6C 2py 0.233515 -0.528602 -0.557229 -0.015536 -0.143085 -0.000348 6C 3pz -0.000635 -0.010382 -0.483137 -0.015690 -0.051510 0.066161 6C 3px 0.001659 -0.002776 -0.272839 0.034878 -0.018029 0.039928 6C 3py -0.014449 0.011550 0.780058 0.008510 0.092158 -0.128173 6C 1dz2 -0.049956 0.086796 0.210675 -0.041837 0.022095 -0.050796 6C 1dxz -0.012848 0.071606 0.230353 0.022512 -0.001490 -0.034285 6C 1dyz -0.029683 0.025516 0.128489 -0.003203 0.016303 0.004905 6C 1dx2y2 0.072306 -0.082442 -0.339043 0.037250 -0.010074 0.013912 6C 1dxy 0.034623 -0.031471 -0.095725 0.017775 -0.046108 -0.009501 6C 2dz2 -0.040861 -0.046837 0.190432 -0.063459 -0.016309 0.001225 6C 2dxz -0.066764 0.065149 0.124773 0.044885 0.057672 0.020991 6C 2dyz 0.044493 -0.022109 0.232669 0.023149 0.046454 -0.132265 6C 2dx2y2 0.061304 -0.189092 -0.145525 0.080455 0.027366 0.024706 6C 2dxy 0.018811 -0.097928 0.008778 -0.086269 -0.119849 -0.037247 6C 1f0 0.064234 -0.030334 -0.051391 0.041028 -0.069079 -0.037387 6C 1f+1 -0.001149 -0.005348 -0.146890 -0.021532 0.061342 -0.035347 6C 1f-1 -0.027060 0.013475 0.015573 -0.053488 0.001435 -0.022691 6C 1f+2 -0.029568 -0.014456 0.061402 -0.035197 0.007885 0.032150 6C 1f-2 0.002109 0.038351 0.183072 0.064403 0.032719 -0.039249 6C 1f+3 0.093209 -0.061440 -0.195736 0.089458 -0.071364 0.033475 6C 1f-3 -0.017884 0.083689 0.222721 -0.018089 -0.031801 -0.106647 7C 1s -0.020688 -0.059636 -0.054568 0.002608 -0.000384 -0.003916 7C 2s -0.030611 -0.088120 -0.079200 0.003948 -0.000620 -0.003913 7C 3s 0.144925 0.415041 -0.027821 0.006891 -0.002125 -0.131486 7C 4s 0.220255 0.659824 2.580725 -0.153087 0.019282 0.721982 7C 5s 0.100286 0.225856 -0.121048 -0.029971 -0.039032 -0.053760 7C 1pz -0.026552 -0.085048 -0.137634 -0.005264 0.005923 -0.020401 7C 1px -0.005694 -0.017839 -0.020348 0.042145 -0.030998 -0.000055 7C 1py -0.019819 -0.057132 -0.090168 0.012229 -0.008532 -0.009244 7C 2pz -0.528516 -1.449494 -0.612355 0.150942 -0.078095 0.194143 7C 2px -0.136262 -0.270542 -0.141234 -0.354778 0.324008 0.050024 7C 2py -0.359972 -1.011912 -0.433518 -0.034586 0.083949 -0.017670 7C 3pz 0.004637 0.032720 0.786137 -0.016247 0.002673 0.106077 7C 3px -0.002502 -0.003315 0.167395 0.047379 0.007676 0.015938 7C 3py -0.005125 0.014382 0.547838 0.008745 0.005748 0.080803 7C 1dz2 -0.034601 -0.147429 -0.144403 -0.011163 -0.002956 -0.036802 7C 1dxz -0.087770 -0.232704 -0.248555 0.043102 -0.002609 -0.041729 7C 1dyz 0.005467 0.061940 0.047588 0.009371 0.015550 0.023146 7C 1dx2y2 0.116601 0.369284 0.388117 -0.003403 0.023077 0.010165 7C 1dxy 0.084722 0.165127 0.177145 -0.017743 -0.045926 0.018343 7C 2dz2 -0.128044 -0.266115 -0.026423 -0.068863 0.051979 0.102842 7C 2dxz -0.087684 -0.242371 -0.115828 0.130357 -0.063745 0.053503 7C 2dyz -0.088220 -0.276684 0.182651 -0.011593 0.032256 0.100752 7C 2dx2y2 0.133164 0.366028 0.246093 -0.012958 -0.014227 0.047451 7C 2dxy 0.018647 0.068170 0.187322 0.067518 -0.078191 0.062349 7C 1f0 -0.002900 0.114588 0.113583 0.048689 0.045009 -0.008060 7C 1f+1 0.127144 0.210752 0.242046 -0.073103 -0.036418 0.005362 7C 1f-1 0.033266 0.012456 0.090248 -0.003798 -0.056760 0.039741 7C 1f+2 -0.041722 -0.191694 -0.213689 0.009648 -0.047381 -0.025385 7C 1f-2 -0.031586 0.021652 0.023935 -0.022710 0.080349 0.062500 7C 1f+3 -0.054898 -0.020120 -0.013343 0.065452 0.063339 -0.061659 7C 1f-3 0.053510 0.222351 0.204830 0.037821 -0.005808 0.096829 8C 1s 0.000084 -0.000829 -0.001967 0.000111 0.000007 0.001233 8C 2s 0.001331 -0.003234 -0.005055 0.000240 -0.000385 0.001132 8C 3s -0.048926 0.108915 -0.051840 0.010087 0.015433 0.068271 8C 4s 0.247112 -0.539659 0.367106 -0.049464 -0.077331 -0.363889 8C 5s -0.075297 0.313233 0.803087 0.051246 0.190218 -0.132923 8C 1pz 0.004304 -0.024134 -0.010247 0.002030 -0.000684 0.009603 8C 1px 0.001839 -0.008190 -0.002532 -0.002321 -0.002956 -0.001313 8C 1py -0.013342 0.011936 0.011848 -0.001370 0.000806 0.013733 8C 2pz -0.092374 0.296231 -0.076579 -0.026947 0.036229 -0.007641 8C 2px -0.046636 0.110030 -0.120148 -0.014790 0.029950 0.075130 8C 2py 0.118111 -0.218353 0.211886 -0.042211 0.002600 -0.233451 8C 3pz 0.008288 -0.050791 -0.107661 0.004975 -0.020307 0.044896 8C 3px 0.011059 -0.003458 -0.056711 0.005836 -0.025830 0.008195 8C 3py 0.002112 0.002457 0.178759 0.007591 0.022897 -0.033457 8C 1dz2 -0.001059 0.005676 -0.002541 0.000702 0.002766 -0.005524 8C 1dxz -0.000944 0.005303 0.015318 -0.005614 -0.001726 -0.013274 8C 1dyz 0.000416 -0.001417 -0.026692 0.003073 -0.006676 0.017160 8C 1dx2y2 0.001689 0.010339 -0.025476 -0.002819 -0.002852 -0.002171 8C 1dxy -0.002571 0.006018 -0.021940 0.001564 0.008522 0.006431 8C 2dz2 -0.025435 -0.025343 -0.013718 0.001493 0.008174 0.062969 8C 2dxz 0.011563 -0.055160 -0.007945 -0.013310 -0.010748 0.003233 8C 2dyz -0.008480 0.069726 -0.094073 0.013891 -0.011663 0.061652 8C 2dx2y2 -0.063891 0.075910 -0.002753 -0.026753 0.015607 0.027398 8C 2dxy -0.020617 0.074296 -0.007507 0.015022 0.012811 0.016145 8C 1f0 0.028577 -0.025155 -0.011066 0.023419 -0.017493 0.002152 8C 1f+1 -0.008561 -0.003207 -0.020313 -0.017453 0.007080 0.011971 8C 1f-1 -0.018852 -0.001087 -0.000392 -0.012553 0.019799 0.005816 8C 1f+2 -0.001511 -0.012691 0.004908 -0.009670 0.013113 -0.018512 8C 1f-2 0.015163 -0.011800 0.025182 0.006423 -0.023855 -0.020442 8C 1f+3 0.019502 -0.003788 -0.022532 0.030532 -0.007397 0.015498 8C 1f-3 -0.000250 0.005776 0.024260 0.009957 0.011488 -0.005072 9C 1s 0.000541 0.001441 0.002087 -0.000153 0.000147 0.000421 9C 2s 0.003092 0.008625 0.005426 -0.000444 0.000218 0.000144 9C 3s -0.109297 -0.297481 0.045086 0.007562 0.001053 0.078760 9C 4s 0.550746 1.480911 -0.334059 -0.025799 -0.027584 -0.424675 9C 5s -0.237864 -0.630255 -0.824705 0.081740 -0.023291 -0.054137 9C 1pz 0.020988 0.063853 0.014845 -0.000057 -0.001687 -0.001623 9C 1px 0.000694 0.007800 -0.000613 -0.001689 0.002556 0.002244 9C 1py 0.017193 0.039153 0.011224 -0.000627 0.000917 -0.016465 9C 2pz -0.256294 -0.804185 0.183725 -0.029901 0.008213 0.210393 9C 2px -0.002922 -0.065546 0.095378 -0.014275 -0.005629 0.025351 9C 2py -0.262470 -0.507599 0.111584 0.024394 0.061607 0.252013 9C 3pz 0.005292 0.053552 0.187384 0.006853 0.004780 0.038695 9C 3px -0.013422 -0.040841 0.018970 -0.011239 -0.007591 0.006375 9C 3py 0.030417 0.027541 0.118000 -0.012444 -0.009855 0.014999 9C 1dz2 0.004001 -0.000030 -0.023134 0.003806 -0.005964 -0.021544 9C 1dxz 0.005480 -0.004596 -0.014229 -0.008187 0.000470 -0.012395 9C 1dyz 0.002048 0.009873 -0.034012 0.003263 -0.001684 -0.010641 9C 1dx2y2 0.005931 0.002925 0.016967 -0.003665 -0.002237 -0.001809 9C 1dxy -0.001208 0.007750 -0.004178 -0.001899 0.006442 0.002541 9C 2dz2 0.078271 0.178814 -0.033478 -0.010345 -0.038432 -0.025183 9C 2dxz 0.071219 0.164904 0.048914 -0.021296 0.004115 -0.008117 9C 2dyz 0.075464 0.217791 -0.075971 0.017719 -0.002054 -0.116866 9C 2dx2y2 -0.042056 -0.115499 -0.016496 -0.000343 -0.010501 0.040401 9C 2dxy 0.000220 0.055456 -0.010123 0.003567 0.023123 0.006023 9C 1f0 -0.018106 0.008034 0.014203 0.008650 0.032060 0.006125 9C 1f+1 0.023795 0.014263 0.029204 -0.007574 -0.024649 0.009976 9C 1f-1 -0.010484 -0.065576 0.004046 -0.012148 -0.009534 0.017201 9C 1f+2 0.009394 0.002305 -0.027542 -0.005110 -0.010743 -0.016120 9C 1f-2 -0.026765 -0.028013 0.003207 0.027430 0.003610 0.000828 9C 1f+3 -0.027561 0.000472 -0.006389 0.021224 0.024208 0.004005 9C 1f-3 0.008153 0.032048 0.024760 -0.003841 0.009452 0.001889 10H 1s -0.008844 -0.029278 0.028543 -0.000018 0.005791 -0.002905 10H 2s -0.045752 -0.092946 0.062809 -0.011619 0.001765 0.002328 10H 3s -0.019071 -0.043612 0.018859 -0.020004 0.002976 0.010563 10H 1pz 0.002273 0.018175 -0.004373 -0.002394 -0.001804 0.003410 10H 1px 0.011890 0.034522 -0.025534 -0.000227 -0.004543 0.000770 10H 1py -0.001426 0.011473 -0.002498 -0.003541 -0.004817 -0.000137 11H 1s 0.020444 0.025455 -0.012374 0.012263 0.004273 -0.004751 11H 2s 0.081012 0.059082 -0.043686 0.041324 0.041917 -0.023548 11H 3s -0.078238 -0.140967 0.061620 -0.028579 -0.003845 0.015630 11H 1pz 0.017008 0.010368 0.004219 0.006488 0.006788 -0.020356 11H 1px 0.024511 0.026213 -0.013708 0.012778 0.009361 -0.003992 11H 1py -0.015961 -0.005630 0.010784 -0.013470 -0.011434 -0.005611 12H 1s -0.008181 0.015774 0.001038 -0.002243 -0.016203 0.007660 12H 2s -0.040907 0.031930 -0.011263 -0.024361 -0.049889 0.038218 12H 3s -0.023737 -0.127730 0.054863 -0.001629 0.022860 -0.004358 12H 1pz 0.016488 0.007589 0.001642 0.009114 0.018260 0.002174 12H 1px 0.001108 0.025188 -0.011417 -0.001424 -0.008797 0.005950 12H 1py -0.012559 0.016978 0.003290 -0.006528 -0.016196 0.014940 13H 1s -0.001151 0.008394 -0.024469 -0.002871 0.000945 -0.016578 13H 2s -0.013924 0.058481 -0.057661 0.001612 -0.006006 -0.063797 13H 3s -0.009727 0.024835 -0.020276 -0.007298 -0.026339 0.019720 13H 1pz -0.002664 0.011144 -0.011819 0.003190 -0.001800 -0.017364 13H 1px -0.001343 -0.010926 0.017998 0.006194 -0.003380 0.013411 13H 1py -0.001268 0.000803 -0.008066 -0.003641 0.002223 0.008743 14H 1s -0.008963 0.005892 -0.005128 0.016127 -0.002667 -0.012554 14H 2s -0.016476 0.051056 0.003150 0.040273 -0.019885 -0.050084 14H 3s -0.000055 0.032522 -0.051212 -0.025410 -0.005477 0.003726 14H 1pz -0.000470 0.014416 -0.008671 0.006326 -0.001554 -0.021337 14H 1px -0.004489 0.010118 0.005958 0.016053 -0.004889 -0.015433 14H 1py -0.017700 0.005645 -0.004368 0.015408 -0.009595 0.005140 15H 1s 0.009294 -0.021718 0.014178 -0.004637 0.009397 0.011317 15H 2s 0.048334 -0.063540 0.041417 -0.042814 0.035208 0.040269 15H 3s -0.026714 0.100606 -0.060382 0.003123 -0.028022 -0.034157 15H 1pz -0.017020 0.012915 -0.017942 0.012988 -0.012938 -0.005358 15H 1px 0.002646 -0.009506 0.003366 -0.001057 0.001967 0.004747 15H 1py -0.008890 0.025060 0.002691 0.008031 -0.009683 -0.011628 16H 1s 0.008779 0.045840 0.013275 0.006673 0.017985 0.012278 16H 2s 0.003119 0.055455 0.019380 -0.009375 0.098579 -0.078312 16H 3s 0.001328 -0.004342 -0.010121 0.017066 -0.014801 -0.002491 16H 1pz 0.006750 0.058393 0.015181 0.011627 0.051955 -0.043562 16H 1px 0.006528 0.019413 -0.010799 -0.032806 0.015770 0.087396 16H 1py 0.003797 0.014225 -0.001161 -0.018423 -0.003563 0.083296 17H 1s -0.005776 0.024998 -0.007743 -0.008387 0.016272 -0.024356 17H 2s 0.006919 0.054007 -0.014862 -0.007774 0.092112 0.023322 17H 3s 0.001697 -0.003116 0.007121 -0.014936 -0.017262 0.001605 17H 1pz 0.002905 -0.037648 0.002693 -0.001415 -0.050485 0.063561 17H 1px -0.004414 -0.029330 0.014072 0.036526 -0.012048 -0.095125 17H 1py -0.003493 0.007514 0.005488 0.016603 0.008471 -0.066655 18H 1s 0.005992 -0.024252 -0.006998 -0.007882 0.016751 0.023546 18H 2s -0.008041 -0.054436 -0.014187 -0.006435 0.092042 -0.019373 18H 3s -0.001809 0.003015 0.006602 -0.015736 -0.016931 -0.002224 18H 1pz 0.002798 -0.037504 -0.002625 0.002324 0.050676 0.064451 18H 1px -0.004947 -0.029565 -0.013033 -0.036005 0.013148 -0.092351 18H 1py -0.003681 0.006024 -0.006206 -0.016913 -0.006819 -0.064438 19H 1s -0.008655 -0.046064 0.013865 0.007188 0.018221 -0.011821 19H 2s -0.004391 -0.055762 0.019686 -0.008382 0.098863 0.079730 19H 3s -0.001307 0.004121 -0.010514 0.016399 -0.015383 0.002446 19H 1pz 0.007128 0.058296 -0.015610 -0.012528 -0.051927 -0.045653 19H 1px 0.006281 0.018880 0.011210 0.032156 -0.016514 0.084851 19H 1py 0.003947 0.015793 0.000158 0.018195 0.001222 0.081292 20H 1s -0.009513 0.021535 0.014004 -0.004666 0.009700 -0.011212 20H 2s -0.049205 0.063394 0.040734 -0.043540 0.036158 -0.039192 20H 3s 0.027501 -0.099926 -0.060314 0.003232 -0.028761 0.034016 20H 1pz -0.017354 0.012855 0.017742 -0.013196 0.013291 -0.005152 20H 1px 0.002869 -0.009712 -0.003576 0.001218 -0.002144 0.004824 20H 1py -0.009031 0.024996 -0.002909 -0.008175 0.009905 -0.011436 21H 1s 0.008944 -0.005737 -0.004758 0.016069 -0.002685 0.012323 21H 2s 0.017125 -0.050542 0.004033 0.040546 -0.020586 0.049334 21H 3s 0.000338 -0.032098 -0.051607 -0.025534 -0.005716 -0.002940 21H 1pz -0.000712 0.014430 0.008606 -0.006567 0.001804 -0.021200 21H 1px -0.004555 0.009943 -0.006234 -0.016049 0.004998 -0.015084 21H 1py -0.017730 0.005474 0.004024 -0.015376 0.009587 0.005085 22H 1s 0.001417 -0.008300 -0.024640 -0.002660 0.000787 0.016014 22H 2s 0.014543 -0.057785 -0.058140 0.001862 -0.006428 0.063495 22H 3s 0.009639 -0.024607 -0.020076 -0.007669 -0.026515 -0.019418 22H 1pz -0.002786 0.010820 0.011700 -0.003225 0.001903 -0.016983 22H 1px -0.001022 -0.010930 -0.018308 -0.005919 0.003196 0.013264 22H 1py -0.001377 0.000799 0.007899 0.003494 -0.002146 0.008917 23H 1s 0.007853 -0.016760 0.000440 -0.002031 -0.016197 -0.007829 23H 2s 0.041058 -0.034877 -0.012610 -0.024897 -0.051135 -0.038348 23H 3s 0.024351 0.130094 0.055847 -0.002424 0.023430 0.004893 23H 1pz 0.016171 0.006743 -0.002283 -0.009003 -0.018289 0.001881 23H 1px 0.001319 0.025362 0.011587 0.001370 0.008627 0.005869 23H 1py -0.012682 0.018035 -0.002961 0.006657 0.016699 0.014875 24H 1s -0.020461 -0.024864 -0.012121 0.012467 0.004444 0.004878 24H 2s -0.080701 -0.056221 -0.043369 0.041481 0.042442 0.024017 24H 3s 0.078287 0.140504 0.062371 -0.029103 -0.004103 -0.014385 24H 1pz 0.016780 0.009841 -0.004186 -0.006399 -0.006685 -0.020517 24H 1px 0.024931 0.026097 0.013980 -0.013152 -0.009675 -0.004039 24H 1py -0.015655 -0.004321 -0.010179 0.013532 0.011644 -0.005361 25H 1s 0.009060 0.029582 0.028899 -0.000063 0.005549 0.003619 25H 2s 0.045577 0.094644 0.064045 -0.011366 0.001851 0.000463 25H 3s 0.018789 0.043597 0.018622 -0.020236 0.003326 -0.010870 25H 1pz 0.002480 0.017494 0.004029 0.002133 0.001492 0.002826 25H 1px 0.012134 0.034844 0.025871 0.000090 0.004186 0.001634 25H 1py -0.000898 0.012200 0.003111 0.003346 0.004700 -0.000282 26O 1s 0.001868 0.005003 -0.003894 0.001753 -0.000807 -0.000018 26O 2s 0.008239 0.022415 -0.019168 0.004003 -0.001113 0.000764 26O 3s -0.143695 -0.393956 0.371854 -0.018367 -0.014528 -0.032541 26O 4s 0.426262 1.154955 -1.146494 -0.082015 0.145782 0.115901 26O 5s 0.110560 0.222313 -0.045882 0.033121 0.018522 0.150952 26O 1pz -0.007198 0.003676 -0.030766 -0.024090 0.014990 0.005028 26O 1px 0.024999 0.081355 -0.102990 0.007269 -0.001929 0.012612 26O 1py 0.023624 0.028154 -0.057557 -0.005782 0.015421 -0.007132 26O 2pz -0.011710 -0.061540 0.133495 0.059757 -0.051324 -0.023852 26O 2px -0.259777 -0.724896 0.817185 0.049151 -0.080567 -0.124591 26O 2py -0.134086 -0.301740 0.388409 0.050904 -0.062470 0.003111 26O 3pz -0.017010 0.003259 0.050087 -0.098574 -0.055437 0.020897 26O 3px -0.090903 -0.187990 0.135972 0.056896 -0.159575 0.019627 26O 3py 0.015224 -0.065655 0.074424 0.071538 0.063704 0.050136 26O 1dz2 0.305559 -0.118109 0.039802 0.311979 0.282738 -0.124775 26O 1dxz 0.080722 0.039110 -0.066946 0.042553 0.041936 -0.044783 26O 1dyz -0.124469 0.268513 -0.075081 -0.100676 -0.248513 0.122818 26O 1dx2y2 0.152910 0.047010 -0.070200 0.054601 0.164163 -0.034864 26O 1dxy 0.188674 0.122453 -0.128846 0.090065 0.163808 -0.034817 26O 2dz2 -0.243748 -0.126304 0.190785 -0.173552 -0.190155 0.064539 26O 2dxz -0.012111 0.033612 -0.009967 -0.000588 -0.008109 0.056851 26O 2dyz 0.080029 -0.143775 0.045338 0.073365 0.152721 -0.070210 26O 2dx2y2 0.007718 0.196727 -0.204608 -0.034269 -0.046026 0.081305 26O 2dxy -0.038323 0.171205 -0.172685 -0.083340 -0.109628 0.022516 26O 1f0 0.054157 0.079793 -0.088691 0.044997 0.011769 0.016741 26O 1f+1 0.110717 0.203235 -0.192668 0.027749 0.027427 -0.031350 26O 1f-1 0.048375 0.136722 -0.092684 0.007356 -0.017917 -0.035671 26O 1f+2 -0.047073 -0.149027 0.110270 -0.034717 0.000702 -0.057055 26O 1f-2 -0.030201 0.000639 0.051180 -0.047343 -0.021759 0.012675 26O 1f+3 0.052038 0.059142 -0.045867 0.023669 0.065421 0.080856 26O 1f-3 0.045217 0.273602 -0.251808 -0.013500 -0.057241 0.014697 27O 1s 0.001016 -0.001559 0.003923 0.000836 0.001877 -0.000572 27O 2s 0.004547 -0.006781 0.018748 0.000596 0.004474 -0.000693 27O 3s -0.080131 0.115847 -0.356149 0.033967 -0.025485 -0.019480 27O 4s 0.238459 -0.339502 1.081080 -0.214819 -0.056218 0.091153 27O 5s 0.056730 -0.041110 -0.005518 -0.069522 0.010826 0.166897 27O 1pz 0.014045 0.005094 0.004595 -0.018209 -0.010956 0.012144 27O 1px 0.019842 -0.024090 0.108047 -0.014090 0.003790 0.017387 27O 1py 0.007773 0.005609 -0.040369 0.018511 0.024049 -0.001675 27O 2pz -0.019553 -0.024003 0.019411 0.029925 0.029489 -0.042653 27O 2px -0.163484 0.217505 -0.823350 0.175994 0.060797 -0.151688 27O 2py 0.014052 -0.052509 0.215264 -0.086084 -0.065769 0.014946 27O 3pz 0.080493 0.042143 -0.038888 -0.142773 0.045640 0.016478 27O 3px -0.028150 0.061818 -0.158877 0.083280 0.091005 0.032784 27O 3py 0.045808 0.026142 0.093041 -0.033866 0.094356 -0.068239 27O 1dz2 -0.297616 0.236813 -0.062351 0.380763 -0.266265 -0.159885 27O 1dxz -0.017458 -0.019008 0.013463 0.012584 0.023891 -0.014273 27O 1dyz 0.082225 -0.033251 -0.065232 -0.186057 0.055537 0.053476 27O 1dx2y2 -0.135924 0.076953 0.095312 0.130516 -0.220836 -0.064284 27O 1dxy 0.018439 -0.005887 -0.109306 -0.080030 0.042396 0.022651 27O 2dz2 0.134442 -0.087195 -0.148407 -0.203085 0.173938 0.073964 27O 2dxz -0.022679 0.016150 -0.052838 0.039031 -0.027115 0.034135 27O 2dyz -0.036764 0.015459 0.067394 0.099184 -0.032296 -0.040759 27O 2dx2y2 0.128161 -0.136246 0.261700 -0.128030 0.101886 0.105809 27O 2dxy -0.055834 0.036960 -0.050708 0.085261 -0.054696 -0.002803 27O 1f0 -0.036012 -0.003132 0.004194 0.037610 -0.014956 0.043182 27O 1f+1 0.004398 -0.019543 0.192796 0.036336 -0.019187 -0.018530 27O 1f-1 -0.005640 0.009716 -0.046277 0.003579 -0.016765 0.018860 27O 1f+2 0.030600 0.014876 -0.013201 -0.057245 0.012620 -0.028102 27O 1f-2 -0.029036 0.011461 -0.053133 0.012719 -0.012509 0.035121 27O 1f+3 0.036851 -0.102146 0.193659 -0.015321 -0.001577 0.088432 27O 1f-3 -0.085257 0.074971 -0.206304 0.045049 -0.086197 0.011808 28O 1s 0.001621 0.004889 -0.004379 -0.001403 0.001017 -0.000798 28O 2s 0.007321 0.022003 -0.020414 -0.002222 0.001673 -0.001597 28O 3s -0.130292 -0.389712 0.380407 -0.017937 0.009713 -0.005144 28O 4s 0.387342 1.153051 -1.139258 0.197990 -0.128992 0.040611 28O 5s 0.070217 0.211930 0.012490 0.043835 0.006191 0.142305 28O 1pz 0.025858 0.049898 -0.086942 0.029567 -0.015118 0.017447 28O 1px -0.016471 -0.069403 0.080093 0.007175 -0.001906 -0.002439 28O 1py -0.012706 0.009920 -0.022500 0.013810 -0.018067 -0.002385 28O 2pz -0.182088 -0.495021 0.589006 -0.163509 0.102841 -0.105200 28O 2px 0.193790 0.613596 -0.653385 0.098177 -0.065058 0.064052 28O 2py 0.002041 -0.075561 0.110720 -0.056179 0.041292 0.013301 28O 3pz 0.002737 -0.107886 0.144682 0.034583 0.077366 0.042258 28O 3px 0.082993 0.169451 -0.093964 0.145920 -0.031534 -0.013557 28O 3py -0.055585 0.042040 0.061628 -0.033464 -0.123361 0.038710 28O 1dz2 -0.160327 0.158311 -0.076271 -0.199203 -0.211863 -0.125263 28O 1dxz -0.204383 -0.110014 0.121911 -0.218158 -0.159013 -0.112937 28O 1dyz 0.153396 0.184066 -0.092720 0.017075 0.130470 0.060081 28O 1dx2y2 -0.192346 0.123774 -0.054196 -0.172845 -0.323039 -0.124320 28O 1dxy 0.085941 0.023890 0.013350 0.051370 0.117173 0.057858 28O 2dz2 0.083812 -0.050655 0.022864 0.095804 0.113742 0.102510 28O 2dxz 0.012268 -0.264417 0.270050 0.083862 0.138722 0.026505 28O 2dyz -0.065775 -0.090388 0.039297 -0.002396 -0.052758 -0.058109 28O 2dx2y2 0.180084 0.122578 -0.179156 0.153391 0.174985 0.104614 28O 2dxy -0.086292 -0.054602 0.044519 -0.054421 -0.102284 -0.016479 28O 1f0 0.028719 0.105646 -0.097335 0.004896 -0.018577 -0.057375 28O 1f+1 0.035259 0.237535 -0.223179 -0.050615 -0.025795 0.033519 28O 1f-1 0.021827 0.075658 -0.001668 0.000720 -0.004039 0.020708 28O 1f+2 -0.096459 -0.271966 0.243793 -0.008765 0.006430 -0.025121 28O 1f-2 0.057222 0.057276 -0.084005 0.014125 0.060444 -0.047295 28O 1f+3 -0.047631 -0.074652 0.076702 -0.042896 -0.020604 -0.050913 28O 1f-3 0.079612 0.093237 -0.097836 0.029607 0.064596 -0.006589 29O 1s -0.000067 -0.001447 -0.000044 -0.000035 -0.000470 0.000242 29O 2s -0.000234 -0.004963 -0.000185 -0.000067 -0.001925 0.000921 29O 3s 0.003473 0.070463 0.003298 -0.000360 0.035154 -0.014987 29O 4s -0.006334 -0.161384 -0.008166 -0.001699 -0.072408 0.037588 29O 5s -0.012485 -0.014376 0.000130 0.027753 -0.143239 0.012028 29O 1pz -0.003762 -0.009727 -0.004266 -0.006986 -0.003826 -0.008065 29O 1px -0.001609 0.004042 -0.000453 -0.002895 0.007810 -0.006746 29O 1py -0.000577 -0.015478 -0.000426 0.000967 -0.002454 0.005912 29O 2pz 0.013568 0.044240 0.023267 0.027250 0.025179 0.022867 29O 2px 0.003668 -0.035308 0.003250 0.013954 -0.047326 0.028369 29O 2py 0.003408 0.075584 0.002223 -0.006121 0.037542 -0.028951 29O 3pz -0.000541 0.005219 0.010148 -0.036760 0.007657 -0.120521 29O 3px 0.000289 -0.005583 0.007745 -0.019139 0.011885 -0.026532 29O 3py 0.004701 0.023645 -0.003664 -0.004850 0.102714 0.004393 29O 1dz2 0.004106 -0.057052 -0.026609 -0.049807 -0.065635 0.295131 29O 1dxz -0.019402 -0.077215 0.048779 0.101578 -0.028622 -0.412080 29O 1dyz -0.014235 -0.002061 0.052246 0.090842 0.041673 -0.435878 29O 1dx2y2 -0.006593 -0.026731 0.034373 0.046124 -0.007477 -0.183478 29O 1dxy -0.003444 -0.029164 0.020413 0.025120 -0.041425 -0.011318 29O 2dz2 -0.005883 0.014030 0.009830 0.032603 0.031803 -0.205933 29O 2dxz 0.013742 0.039320 -0.028330 -0.067195 0.011733 0.287600 29O 2dyz 0.004862 -0.009894 -0.043698 -0.068882 -0.035364 0.299035 29O 2dx2y2 0.004968 0.022719 -0.020483 -0.031839 0.008995 0.126099 29O 2dxy 0.001648 0.036716 -0.015870 -0.021702 0.047439 0.001892 29O 1f0 0.001898 0.027032 0.000483 -0.014244 0.013478 0.038070 29O 1f+1 -0.005738 -0.016624 0.004599 0.017908 -0.001645 -0.074550 29O 1f-1 0.006176 0.032894 0.010876 -0.001161 0.015505 0.014043 29O 1f+2 0.002879 -0.009921 -0.015120 -0.032213 -0.020608 0.115476 29O 1f-2 -0.007271 0.000360 -0.006991 0.011388 0.006989 -0.049843 29O 1f+3 -0.002696 -0.025299 0.009102 0.017472 -0.024061 -0.037067 29O 1f-3 0.004051 -0.006893 0.001512 -0.009219 -0.006544 0.044768 30O 1s 0.000814 -0.001545 0.003861 -0.001273 -0.001141 -0.000082 30O 2s 0.003700 -0.006896 0.018514 -0.003103 -0.001309 0.000529 30O 3s -0.065693 0.120494 -0.353134 0.018865 -0.028719 -0.028786 30O 4s 0.192985 -0.360938 1.075241 0.046902 0.223080 0.108786 30O 5s 0.005766 -0.083205 0.011372 -0.015150 -0.008581 0.111595 30O 1pz -0.005135 -0.003911 0.062742 0.009647 0.012352 0.012497 30O 1px -0.012443 0.021596 -0.064952 0.015171 0.009637 -0.005140 30O 1py -0.013407 0.020373 -0.072455 -0.007381 -0.027254 -0.001056 30O 2pz -0.044233 0.099936 -0.437914 -0.038416 -0.106767 -0.088122 30O 2px 0.096552 -0.176969 0.562329 -0.001672 0.075853 0.073113 30O 2py 0.072254 -0.144479 0.477611 0.052337 0.131539 0.036950 30O 3pz -0.041570 0.090981 -0.077353 0.100052 -0.135881 0.036698 30O 3px 0.011618 -0.045993 0.074419 0.088255 0.107475 -0.024002 30O 3py -0.004210 0.039283 0.089961 0.039397 -0.009050 -0.072916 30O 1dz2 0.193109 0.021165 -0.033654 -0.196802 0.153042 -0.133166 30O 1dxz 0.232966 0.057202 -0.090436 -0.290434 0.141880 -0.131643 30O 1dyz -0.201418 0.062336 -0.127183 0.181558 -0.096893 0.040398 30O 1dx2y2 0.197334 0.022467 -0.042036 -0.176105 0.203092 -0.089002 30O 1dxy 0.116402 0.009753 0.057679 -0.075118 0.159085 -0.076628 30O 2dz2 -0.102719 -0.014796 -0.031321 0.086048 -0.082374 0.106494 30O 2dxz -0.186693 0.043104 -0.180903 0.192675 -0.148048 0.043200 30O 2dyz 0.088757 0.017316 -0.068274 -0.101790 0.039119 -0.054778 30O 2dx2y2 -0.093038 -0.041710 0.116956 0.109896 -0.086454 0.072183 30O 2dxy -0.037647 -0.071556 0.216724 0.071131 -0.071691 0.058729 30O 1f0 0.039723 -0.006563 0.117019 -0.024066 0.021208 -0.038609 30O 1f+1 0.059667 -0.049222 0.069090 -0.073253 0.042274 0.039354 30O 1f-1 -0.006767 -0.030904 0.022024 -0.024979 0.010315 0.060520 30O 1f+2 -0.054321 0.026076 -0.045055 0.029497 -0.047880 0.004495 30O 1f-2 -0.048329 0.091168 -0.240526 0.034796 0.001827 -0.018150 30O 1f+3 0.021148 -0.022640 0.125285 -0.015251 -0.034890 -0.034876 30O 1f-3 0.007102 0.066277 -0.166473 -0.035903 0.017714 -0.034229 31O 1s -0.000838 0.001518 0.003849 -0.001277 -0.001125 0.000108 31O 2s -0.003800 0.006773 0.018473 -0.003119 -0.001260 -0.000393 31O 3s 0.067290 -0.118381 -0.352612 0.019120 -0.029389 0.026372 31O 4s -0.197245 0.354946 1.073805 0.046039 0.224967 -0.102002 31O 5s -0.005384 0.083209 0.011031 -0.016158 -0.008379 -0.116632 31O 1pz -0.004842 -0.003511 -0.062718 -0.009675 -0.012242 0.011751 31O 1px -0.012721 0.021158 0.064864 -0.015229 -0.009683 -0.004757 31O 1py -0.013556 0.020011 0.072466 0.007225 0.027028 -0.000212 31O 2pz -0.045902 0.097560 0.437775 0.038435 0.106856 -0.085452 31O 2px 0.098517 -0.173851 -0.561868 0.002021 -0.076201 0.070516 31O 2py 0.073425 -0.142148 -0.477414 -0.051637 -0.131165 0.034296 31O 3pz -0.041877 0.090505 0.076106 -0.100907 0.136087 0.042095 31O 3px 0.011486 -0.045976 -0.073635 -0.087215 -0.107547 -0.024581 31O 3py -0.003697 0.039630 -0.088475 -0.038068 0.008926 -0.081074 31O 1dz2 -0.192929 -0.020967 -0.033519 -0.195637 0.152316 0.130496 31O 1dxz -0.232900 -0.056427 -0.090238 -0.289088 0.140942 0.130280 31O 1dyz 0.202144 -0.061853 -0.127256 0.181136 -0.096987 -0.039978 31O 1dx2y2 -0.197435 -0.022081 -0.041777 -0.175558 0.202358 0.092162 31O 1dxy -0.116642 -0.010041 0.057707 -0.074189 0.158780 0.075245 31O 2dz2 0.102656 0.014899 -0.031303 0.085563 -0.081800 -0.105181 31O 2dxz 0.187563 -0.042255 -0.180896 0.191767 -0.147650 -0.043891 31O 2dyz -0.088572 -0.016776 -0.068121 -0.101446 0.038951 0.053889 31O 2dx2y2 0.092799 0.041025 0.116784 0.109604 -0.085984 -0.072990 31O 2dxy 0.037001 0.070431 0.216460 0.070250 -0.071459 -0.056558 31O 1f0 0.040131 -0.005863 -0.116913 0.024021 -0.020879 -0.039621 31O 1f+1 0.060195 -0.048729 -0.069052 0.072826 -0.042410 0.038924 31O 1f-1 -0.006395 -0.030581 -0.021977 0.024732 -0.010564 0.059904 31O 1f+2 -0.054571 0.025818 0.045030 -0.029131 0.047894 0.004527 31O 1f-2 -0.049429 0.089607 0.240172 -0.034876 -0.001853 -0.016711 31O 1f+3 0.021601 -0.021929 -0.125054 0.015578 0.035111 -0.035037 31O 1f-3 0.006514 0.065301 0.166227 0.035618 -0.017507 -0.033199 32O 1s 0.000068 0.001436 -0.000067 -0.000046 -0.000485 -0.000223 32O 2s 0.000237 0.004931 -0.000263 -0.000110 -0.001976 -0.000890 32O 3s -0.003609 -0.070114 0.004406 0.000331 0.035858 0.015054 32O 4s 0.006666 0.160619 -0.010667 -0.003078 -0.074225 -0.037966 32O 5s 0.014008 0.015414 0.000162 0.025889 -0.141775 -0.016436 32O 1pz -0.003756 -0.009550 0.004277 0.007096 0.003650 -0.007915 32O 1px -0.001682 0.003992 0.000323 0.002627 -0.007949 -0.006795 32O 1py -0.000658 -0.015539 0.000696 -0.000757 0.002544 0.005599 32O 2pz 0.013628 0.043001 -0.023401 -0.027823 -0.023816 0.022136 32O 2px 0.003619 -0.035449 -0.002437 -0.012822 0.048246 0.028965 32O 2py 0.003993 0.075979 -0.003703 0.004874 -0.038169 -0.028646 32O 3pz -0.000423 0.004868 -0.009603 0.037180 -0.006365 -0.117398 32O 3px 0.000201 -0.005738 -0.008451 0.018437 -0.011219 -0.025289 32O 3py 0.005588 0.024126 0.003355 0.004197 -0.102697 -0.001194 32O 1dz2 -0.004129 0.057269 -0.027353 -0.052528 -0.065378 -0.304238 32O 1dxz 0.019297 0.075998 0.047708 0.099532 -0.031384 0.401539 32O 1dyz 0.014767 0.006147 0.050166 0.090133 0.035086 0.422755 32O 1dx2y2 0.007541 0.027532 0.032592 0.042594 -0.008851 0.166645 32O 1dxy 0.003001 0.030029 0.024840 0.026903 -0.042753 0.020031 32O 2dz2 0.005854 -0.014383 0.010209 0.034530 0.031619 0.211552 32O 2dxz -0.013696 -0.038561 -0.027837 -0.065802 0.013184 -0.280581 32O 2dyz -0.005027 0.008230 -0.042560 -0.068532 -0.031165 -0.290168 32O 2dx2y2 -0.005714 -0.023279 -0.019032 -0.029176 0.009894 -0.114418 32O 2dxy -0.001594 -0.037110 -0.018174 -0.022490 0.048497 -0.007606 32O 1f0 0.001365 0.024777 -0.000753 0.013482 -0.013429 0.035504 32O 1f+1 -0.005405 -0.017267 -0.004092 -0.017122 0.003085 -0.070962 32O 1f-1 0.006416 0.034162 -0.011022 0.002464 -0.015934 0.018748 32O 1f+2 0.003072 -0.010784 0.015386 0.032860 0.020304 0.115308 32O 1f-2 -0.007387 -0.000239 0.006758 -0.011243 -0.006928 -0.048737 32O 1f+3 -0.003235 -0.025173 -0.008846 -0.017275 0.024403 -0.037423 32O 1f-3 0.004060 -0.006689 -0.002094 0.007892 0.006285 0.039405 33O 1s -0.001647 -0.004889 -0.004390 -0.001395 0.001021 0.000784 33O 2s -0.007423 -0.022007 -0.020470 -0.002195 0.001699 0.001524 33O 3s 0.131878 0.389863 0.381486 -0.018299 0.009127 0.006559 33O 4s -0.392150 -1.153561 -1.142520 0.199181 -0.126866 -0.044715 33O 5s -0.071808 -0.211503 0.011221 0.043443 0.008913 -0.140785 33O 1pz 0.026053 0.049794 0.086981 -0.029758 0.014858 0.018121 33O 1px -0.016893 -0.069412 -0.080354 -0.007048 0.002123 -0.002947 33O 1py -0.012638 0.010106 0.022718 -0.013721 0.018048 -0.002170 33O 2pz -0.183829 -0.494449 -0.589757 0.164277 -0.101044 -0.108593 33O 2px 0.196678 0.614111 0.655711 -0.098859 0.063463 0.066901 33O 2py 0.001408 -0.076690 -0.112064 0.056045 -0.041168 0.012606 33O 3pz 0.003433 -0.106833 -0.144058 -0.035702 -0.077665 0.041805 33O 3px 0.083172 0.169129 0.094675 -0.145280 0.030769 -0.015525 33O 3py -0.055016 0.042662 -0.061870 0.032652 0.122510 0.042276 33O 1dz2 0.160418 -0.158359 -0.076883 -0.199886 -0.212743 0.122485 33O 1dxz 0.204322 0.109991 0.121782 -0.217806 -0.159119 0.110163 33O 1dyz -0.153643 -0.184291 -0.093424 0.016887 0.130318 -0.059019 33O 1dx2y2 0.191679 -0.124216 -0.055255 -0.172544 -0.322877 0.120584 33O 1dxy -0.085927 -0.023022 0.013580 0.051250 0.117602 -0.056254 33O 2dz2 -0.083827 0.051234 0.023824 0.096370 0.114468 -0.101295 33O 2dxz -0.011363 0.264405 0.270843 0.083535 0.138196 -0.023062 33O 2dyz 0.065660 0.090035 0.039084 -0.002420 -0.052820 0.057701 33O 2dx2y2 -0.180267 -0.122688 -0.179335 0.153179 0.175157 -0.103014 33O 2dxy 0.086696 0.054791 0.045277 -0.054204 -0.102462 0.015134 33O 1f0 0.028993 0.106277 0.098529 -0.004382 0.018814 -0.057088 33O 1f+1 0.035627 0.236829 0.222762 0.050116 0.025495 0.036009 33O 1f-1 0.021978 0.075442 0.001525 -0.000925 0.003827 0.020437 33O 1f+2 -0.096922 -0.272362 -0.244501 0.008721 -0.006324 -0.026531 33O 1f-2 0.057707 0.058168 0.085200 -0.013632 -0.060075 -0.047680 33O 1f+3 -0.047513 -0.074823 -0.076759 0.042836 0.020650 -0.050950 33O 1f-3 0.080247 0.093973 0.098895 -0.029402 -0.064739 -0.007151 34O 1s -0.001032 0.001534 0.003912 0.000835 0.001869 0.000579 34O 2s -0.004626 0.006668 0.018715 0.000601 0.004456 0.000725 34O 3s 0.081605 -0.113846 -0.355785 0.033704 -0.025413 0.018608 34O 4s -0.242960 0.333633 1.080086 -0.213857 -0.056074 -0.087825 34O 5s -0.057481 0.041508 -0.004972 -0.066401 0.011096 -0.161193 34O 1pz 0.014024 0.005187 -0.004542 0.018260 0.010880 0.012087 34O 1px 0.020295 -0.023451 -0.108051 0.013943 -0.003960 0.016913 34O 1py 0.007646 0.005418 0.040423 -0.018395 -0.023995 -0.001650 34O 2pz -0.019273 -0.024159 -0.019817 -0.030138 -0.029164 -0.042123 34O 2px -0.166863 0.213111 0.823273 -0.174677 -0.059821 -0.146973 34O 2py 0.014823 -0.051487 -0.215418 0.085518 0.065539 0.013540 34O 3pz 0.080912 0.042534 0.038678 0.142344 -0.045462 0.012811 34O 3px -0.027916 0.062090 0.157684 -0.082346 -0.091398 0.029084 34O 3py 0.045490 0.025753 -0.092726 0.033842 -0.093925 -0.062459 34O 1dz2 0.298517 -0.236398 -0.062641 0.379112 -0.266766 0.159560 34O 1dxz 0.017380 0.018777 0.013303 0.012684 0.023547 0.017185 34O 1dyz -0.082361 0.033239 -0.065003 -0.185762 0.055232 -0.051236 34O 1dx2y2 0.135785 -0.077372 0.095228 0.129991 -0.221123 0.062945 34O 1dxy -0.018125 0.006636 -0.109103 -0.079525 0.042766 -0.025623 34O 2dz2 -0.134275 0.087907 -0.148170 -0.202301 0.174117 -0.074469 34O 2dxz 0.022956 -0.015908 -0.053080 0.038695 -0.026753 -0.035581 34O 2dyz 0.036727 -0.015562 0.067332 0.099020 -0.032095 0.039517 34O 2dx2y2 -0.129267 0.134844 0.261656 -0.127365 0.102462 -0.103798 34O 2dxy 0.056175 -0.036796 -0.050893 0.084642 -0.054739 0.003801 34O 1f0 -0.036103 -0.003111 -0.003946 -0.037291 0.014691 0.042971 34O 1f+1 0.004987 -0.018553 -0.192737 -0.036255 0.019243 -0.019000 34O 1f-1 -0.005812 0.009491 0.046271 -0.003480 0.016604 0.019079 34O 1f+2 0.030641 0.014681 0.012719 0.056761 -0.012364 -0.027377 34O 1f-2 -0.029322 0.011282 0.053257 -0.012614 0.012459 0.035448 34O 1f+3 0.037630 -0.100924 -0.193433 0.015386 0.000969 0.087489 34O 1f-3 -0.086207 0.073735 0.206243 -0.044693 0.086044 0.013048 35O 1s -0.001869 -0.005024 -0.003902 0.001743 -0.000817 -0.000003 35O 2s -0.008248 -0.022500 -0.019215 0.003967 -0.001150 -0.000868 35O 3s 0.143886 0.395250 0.372776 -0.017773 -0.013983 0.034542 35O 4s -0.426131 -1.158798 -1.149281 -0.084219 0.143831 -0.122202 35O 5s -0.107801 -0.224589 -0.046073 0.031010 0.016537 -0.151987 35O 1pz -0.007213 0.003526 0.030722 0.024183 -0.014888 0.005233 35O 1px 0.024916 0.081537 0.103170 -0.007065 0.002250 0.013265 35O 1py 0.023612 0.028276 0.057758 0.005744 -0.015189 -0.006735 35O 2pz -0.011256 -0.061008 -0.133273 -0.060224 0.050777 -0.024575 35O 2px -0.259247 -0.726661 -0.818912 -0.050747 0.078942 -0.129291 35O 2py -0.133910 -0.303056 -0.389916 -0.051348 0.061349 0.000273 35O 3pz -0.018403 0.002516 -0.049556 0.099748 0.056285 0.023163 35O 3px -0.090658 -0.189166 -0.135503 -0.057008 0.158532 0.020579 35O 3py 0.014666 -0.066090 -0.074869 -0.071391 -0.063654 0.047033 35O 1dz2 -0.305388 0.118318 0.038931 0.310819 0.282659 0.128420 35O 1dxz -0.081001 -0.039000 -0.067059 0.042681 0.042042 0.044900 35O 1dyz 0.124126 -0.268428 -0.075012 -0.099478 -0.247323 -0.124716 35O 1dx2y2 -0.152864 -0.047071 -0.070661 0.054191 0.164029 0.035799 35O 1dxy -0.189279 -0.123218 -0.130062 0.089504 0.164055 0.035669 35O 2dz2 0.243868 0.126620 0.191933 -0.172623 -0.189890 -0.065563 35O 2dxz 0.012453 -0.033584 -0.009619 -0.000786 -0.008183 -0.056597 35O 2dyz -0.079741 0.143702 0.045446 0.072553 0.151998 0.071525 35O 2dx2y2 -0.007891 -0.196833 -0.204547 -0.034219 -0.045991 -0.082568 35O 2dxy 0.038305 -0.171731 -0.173075 -0.083164 -0.110070 -0.025211 35O 1f0 0.054046 0.079561 0.088421 -0.044849 -0.011706 0.016618 35O 1f+1 0.111115 0.203551 0.193596 -0.027541 -0.027242 -0.030335 35O 1f-1 0.048577 0.137130 0.093411 -0.007343 0.018103 -0.034765 35O 1f+2 -0.046931 -0.148993 -0.110059 0.034602 -0.000672 -0.056697 35O 1f-2 -0.030243 0.000694 -0.051028 0.047195 0.021623 0.012595 35O 1f+3 0.052035 0.058567 0.045064 -0.023579 -0.065850 0.079449 35O 1f-3 0.045999 0.274358 0.252739 0.013103 0.057298 0.017044 690 691 692 693 694 695 6.41497 6.42259 6.42356 6.42831 6.45266 6.48887 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s 0.000128 -0.000122 -0.000034 0.000060 -0.000334 0.001849 0Rh 2s -0.000937 0.000872 0.000186 -0.000607 0.002119 -0.011671 0Rh 3s 0.000225 -0.000232 -0.000095 0.000009 -0.000788 0.004384 0Rh 4s 0.006054 -0.005665 -0.001234 0.003816 -0.013983 0.076846 0Rh 5s -0.017127 0.016091 0.003196 -0.011108 0.039588 -0.214027 0Rh 6s 0.021558 -0.020288 -0.002180 0.016043 -0.048866 0.242509 0Rh 7s -0.051744 0.029235 -0.009591 -0.031194 0.057666 -0.271362 0Rh 8s -0.010900 -0.000990 0.004176 -0.003826 0.022663 -0.043581 0Rh 1pz -0.000767 0.005596 0.012049 0.006817 -0.000254 0.015843 0Rh 1px 0.000941 0.002878 0.006920 0.000622 0.001715 -0.042872 0Rh 1py -0.009907 0.000463 -0.004247 0.009237 -0.002148 -0.012102 0Rh 2pz 0.003239 -0.023465 -0.050521 -0.028594 0.001013 -0.066687 0Rh 2px -0.003919 -0.012099 -0.029064 -0.002571 -0.007084 0.180480 0Rh 2py 0.041770 -0.001949 0.017798 -0.038753 0.009096 0.050952 0Rh 3pz -0.011176 0.078112 0.168099 0.095401 -0.002263 0.226866 0Rh 3px 0.012503 0.040924 0.097719 0.007916 0.021146 -0.614469 0Rh 3py -0.143213 0.006694 -0.059052 0.129578 -0.031844 -0.173567 0Rh 4pz 0.015310 -0.104050 -0.223589 -0.127674 -0.000643 -0.316666 0Rh 4px -0.014999 -0.056870 -0.133236 -0.009107 -0.019637 0.859209 0Rh 4py 0.200629 -0.009702 0.078269 -0.175209 0.045585 0.242657 0Rh 5pz -0.006856 0.053369 0.113576 0.066866 0.007686 0.197039 0Rh 5px 0.003953 0.035939 0.076015 0.003299 -0.008880 -0.537620 0Rh 5py -0.122937 0.007710 -0.039848 0.097662 -0.024554 -0.149955 0Rh 6pz 0.033496 0.278819 0.615756 0.341040 -0.018481 0.100915 0Rh 6px 0.050715 0.078527 0.234520 0.000382 0.101782 -0.133867 0Rh 6py 0.233144 -0.022490 -0.263158 0.505208 -0.038548 -0.176311 0Rh 1dz2 -0.000160 0.002956 0.005779 0.004927 0.014839 -0.007427 0Rh 1dxz -0.003826 -0.002950 -0.006642 -0.003515 0.007489 -0.011109 0Rh 1dyz 0.004757 0.001315 0.002489 0.004080 -0.005507 -0.002007 0Rh 1dx2y2 0.000063 -0.001598 -0.004194 0.001440 0.007149 0.015642 0Rh 1dxy -0.008485 0.000343 0.004580 -0.007097 -0.002223 0.008572 0Rh 2dz2 -0.000642 -0.001279 -0.002421 -0.002379 -0.004224 0.001282 0Rh 2dxz 0.001220 0.001412 0.003281 0.001629 -0.001934 0.002303 0Rh 2dyz -0.001572 -0.000347 -0.000803 -0.001629 0.001504 0.000685 0Rh 2dx2y2 -0.000514 0.000750 0.001908 -0.000900 -0.002407 -0.003372 0Rh 2dxy 0.003425 -0.000080 -0.002104 0.003393 0.000873 -0.002859 0Rh 3dz2 0.004226 -0.010091 -0.020203 -0.015545 -0.062330 0.035105 0Rh 3dxz 0.015273 0.009419 0.020631 0.011517 -0.032505 0.050650 0Rh 3dyz -0.018700 -0.005706 -0.010119 -0.014720 0.023438 0.007722 0Rh 3dx2y2 0.002218 0.005086 0.013796 -0.003635 -0.028147 -0.070537 0Rh 3dxy 0.030162 -0.001597 -0.015136 0.022554 0.008072 -0.033677 0Rh 4dz2 -0.014471 0.021421 0.044205 0.031045 0.150673 -0.084248 0Rh 4dxz -0.035225 -0.019440 -0.041014 -0.024172 0.080287 -0.120271 0Rh 4dyz 0.042664 0.014643 0.025977 0.033034 -0.056347 -0.016407 0Rh 4dx2y2 -0.007874 -0.009497 -0.027947 0.006860 0.064485 0.165844 0Rh 4dxy -0.064539 0.004649 0.032260 -0.044582 -0.017847 0.074950 0Rh 5dz2 0.042315 -0.022873 -0.054355 -0.026861 -0.266367 0.115952 0Rh 5dxz 0.052530 0.021819 0.033147 0.024666 -0.155077 0.163356 0Rh 5dyz -0.058227 -0.030646 -0.052481 -0.043434 0.089920 0.013818 0Rh 5dx2y2 0.021709 0.000002 0.024211 -0.004783 -0.077739 -0.216098 0Rh 5dxy 0.076928 -0.013465 -0.037194 0.033556 0.025755 -0.080511 0Rh 1f0 0.004939 -0.000175 -0.000224 0.001428 -0.005852 -0.012425 0Rh 1f+1 -0.003833 0.000038 0.000199 0.001244 0.007547 0.008369 0Rh 1f-1 0.005964 0.001518 0.001945 0.004550 0.006062 -0.000183 0Rh 1f+2 0.005860 -0.002032 -0.003907 0.000321 0.005752 0.013601 0Rh 1f-2 0.002898 -0.000377 -0.002718 0.003346 -0.004575 0.003575 0Rh 1f+3 0.007903 0.000585 0.001525 0.000560 -0.004478 0.018590 0Rh 1f-3 -0.010201 -0.000256 -0.001271 0.003441 -0.006108 0.008879 1Rh 1s -0.000121 -0.000127 -0.000045 0.000052 0.000328 0.001868 1Rh 2s 0.000896 0.000903 0.000266 -0.000550 -0.002082 -0.011792 1Rh 3s -0.000209 -0.000239 -0.000115 -0.000009 0.000770 0.004425 1Rh 4s -0.005785 -0.005865 -0.001748 0.003443 0.013738 0.077640 1Rh 5s 0.016384 0.016661 0.004655 -0.010052 -0.038916 -0.216279 1Rh 6s -0.020746 -0.021032 -0.004038 0.014731 0.048162 0.245323 1Rh 7s 0.051555 0.030688 -0.006799 -0.029168 -0.056797 -0.275280 1Rh 8s 0.011369 0.000052 0.007694 -0.003521 -0.022431 -0.046285 1Rh 1pz -0.000584 -0.005659 -0.011820 -0.006899 -0.000761 -0.015636 1Rh 1px 0.001152 -0.002951 -0.006872 -0.000670 0.001407 0.043055 1Rh 1py -0.009863 -0.000527 0.004161 -0.009229 -0.002244 0.012086 1Rh 2pz 0.002476 0.023731 0.049554 0.028943 0.003145 0.065812 1Rh 2px -0.004806 0.012402 0.028857 0.002771 -0.005786 -0.181242 1Rh 2py 0.041581 0.002220 -0.017437 0.038720 0.009499 -0.050885 1Rh 3pz -0.008658 -0.079012 -0.164787 -0.096622 -0.009486 -0.223880 1Rh 3px 0.015515 -0.041921 -0.096938 -0.008562 0.016758 0.616932 1Rh 3py -0.142564 -0.007583 0.057868 -0.129435 -0.033236 0.173313 1Rh 4pz 0.012055 0.105312 0.218986 0.129439 0.009401 0.312635 1Rh 4px -0.019218 0.058149 0.131912 0.009875 -0.013577 -0.862108 1Rh 4py 0.199700 0.010844 -0.076765 0.174946 0.047600 -0.242311 1Rh 5pz -0.005525 -0.054244 -0.110870 -0.067979 0.001492 -0.195627 1Rh 5px 0.006697 -0.036542 -0.074782 -0.003486 -0.012513 0.537929 1Rh 5py -0.122282 -0.008222 0.039158 -0.097454 -0.025972 0.150236 1Rh 6pz 0.043813 -0.279795 -0.619541 -0.338794 -0.037944 -0.086553 1Rh 6px 0.052844 -0.078591 -0.236122 0.000047 0.094291 0.144237 1Rh 6py 0.230384 0.021479 0.265928 -0.504792 -0.036850 0.167210 1Rh 1dz2 -0.000016 0.003122 0.006150 0.005083 -0.014591 -0.007496 1Rh 1dxz 0.003894 -0.002928 -0.006664 -0.003342 -0.007739 -0.011155 1Rh 1dyz -0.005098 0.001235 0.002223 0.004261 0.005508 -0.001959 1Rh 1dx2y2 -0.000032 -0.001544 -0.004168 0.001580 -0.007321 0.015776 1Rh 1dxy 0.008326 0.000310 0.004501 -0.007086 0.002172 0.008609 1Rh 2dz2 0.000710 -0.001318 -0.002507 -0.002412 0.004114 0.001293 1Rh 2dxz -0.001259 0.001422 0.003327 0.001575 0.002069 0.002308 1Rh 2dyz 0.001713 -0.000327 -0.000724 -0.001712 -0.001494 0.000671 1Rh 2dx2y2 0.000503 0.000739 0.001916 -0.000952 0.002474 -0.003395 1Rh 2dxy -0.003356 -0.000067 -0.002076 0.003387 -0.000853 -0.002861 1Rh 3dz2 -0.003581 -0.010824 -0.021845 -0.016257 0.061490 0.035439 1Rh 3dxz -0.015464 0.009247 0.020516 0.010816 0.033231 0.050885 1Rh 3dyz 0.019911 -0.005358 -0.009021 -0.015322 -0.023500 0.007518 1Rh 3dx2y2 -0.002333 0.004837 0.013607 -0.004160 0.028766 -0.071187 1Rh 3dxy -0.029619 -0.001475 -0.014829 0.022522 -0.007891 -0.033878 1Rh 4dz2 0.012987 0.023201 0.048215 0.032854 -0.148908 -0.085116 1Rh 4dxz 0.035591 -0.018932 -0.040451 -0.022524 -0.081688 -0.120925 1Rh 4dyz -0.045453 0.013793 0.023357 0.034337 0.056575 -0.015849 1Rh 4dx2y2 0.008083 -0.008884 -0.027442 0.008021 -0.065811 0.167589 1Rh 4dxy 0.063314 0.004377 0.031533 -0.044503 0.017477 0.075526 1Rh 5dz2 -0.040209 -0.025921 -0.061441 -0.030464 0.264598 0.118143 1Rh 5dxz -0.052791 0.020490 0.030748 0.021866 0.156010 0.164767 1Rh 5dyz 0.062489 -0.029204 -0.048231 -0.045221 -0.090537 0.011830 1Rh 5dx2y2 -0.021673 -0.000941 0.023763 -0.005955 0.079139 -0.220949 1Rh 5dxy -0.075094 -0.013039 -0.035815 0.033455 -0.025433 -0.082046 1Rh 1f0 0.004957 0.000342 0.000672 -0.001455 -0.005834 0.012845 1Rh 1f+1 -0.003844 -0.000037 -0.000042 -0.001481 0.007529 -0.007885 1Rh 1f-1 0.005998 -0.001617 -0.002178 -0.004537 0.005803 0.000174 1Rh 1f+2 0.005791 0.001997 0.003735 -0.000389 0.006036 -0.013609 1Rh 1f-2 0.002864 0.000455 0.002875 -0.003295 -0.004581 -0.004003 1Rh 1f+3 0.007876 -0.000479 -0.001332 -0.000493 -0.004534 -0.018305 1Rh 1f-3 -0.010223 0.000324 0.001412 -0.003315 -0.006091 -0.008999 2C 1s -0.000935 0.000508 0.000346 0.000350 -0.000249 -0.000596 2C 2s -0.000794 0.000633 0.000492 0.000496 -0.000235 0.001317 2C 3s -0.062112 -0.000419 0.023255 0.009433 -0.015008 -0.086597 2C 4s 0.336488 0.009572 -0.145281 -0.086252 0.072192 0.470408 2C 5s 0.089205 -0.030495 -0.024928 -0.166254 -0.032111 -0.604116 2C 1pz -0.010786 0.010079 -0.003810 -0.000958 -0.003994 -0.010986 2C 1px -0.005993 0.010891 0.001219 0.005306 -0.002423 -0.002231 2C 1py 0.005079 -0.020780 0.010045 0.004721 0.005441 -0.009315 2C 2pz 0.196734 -0.046623 -0.030215 -0.014280 0.080783 0.238310 2C 2px 0.083125 -0.101525 -0.042734 -0.074844 0.015956 0.041742 2C 2py 0.061391 0.189141 -0.141839 -0.071356 -0.073379 0.175293 2C 3pz 0.030867 0.022000 -0.000308 -0.026756 -0.014854 -0.103884 2C 3px -0.006815 0.002200 -0.033323 -0.030505 0.011228 -0.033438 2C 3py 0.025270 -0.040032 -0.003678 -0.015880 0.014164 -0.073496 2C 1dz2 0.000747 0.017942 -0.007495 0.002269 -0.003851 0.006597 2C 1dxz -0.001907 0.011271 -0.013305 -0.010023 -0.004658 0.003501 2C 1dyz 0.014397 -0.007382 -0.001104 -0.000356 0.007126 0.007859 2C 1dx2y2 -0.011019 0.012959 -0.003324 -0.001934 -0.003882 -0.001533 2C 1dxy 0.004753 -0.008290 -0.002806 -0.005298 -0.002368 0.000521 2C 2dz2 0.069659 -0.037087 0.023624 0.025558 -0.006279 0.052947 2C 2dxz 0.005331 -0.000357 -0.043494 -0.057768 -0.022306 0.028237 2C 2dyz 0.047610 0.048465 -0.045075 -0.013889 0.004643 0.089487 2C 2dx2y2 0.021924 -0.052307 0.013189 0.003221 -0.021777 -0.030340 2C 2dxy 0.018878 -0.062929 -0.005046 -0.031627 0.055282 0.016881 2C 1f0 0.014633 0.002974 0.008356 0.017924 -0.023037 0.002444 2C 1f+1 0.002304 -0.005883 -0.008682 -0.014904 0.019562 0.004825 2C 1f-1 0.008971 0.001396 0.002380 0.005098 0.017599 0.021442 2C 1f+2 -0.015936 -0.004132 -0.000579 -0.009122 0.003846 -0.010898 2C 1f-2 0.016919 -0.016816 -0.017329 -0.023113 -0.014315 0.010131 2C 1f+3 0.000965 0.008376 -0.016524 -0.011636 -0.031761 0.001691 2C 1f-3 0.008952 -0.006770 0.004939 0.006577 -0.001242 -0.000789 3C 1s -0.000023 0.000455 -0.000238 -0.000396 0.000105 -0.000656 3C 2s -0.000506 0.000517 -0.000263 -0.000552 0.000251 0.001331 3C 3s 0.068091 -0.018040 -0.016155 -0.010498 0.012209 -0.096084 3C 4s -0.370844 0.124661 0.080835 0.059092 -0.067694 0.520160 3C 5s -0.000360 0.000139 -0.130214 0.052535 -0.004459 -0.667366 3C 1pz 0.016286 -0.023822 0.006234 0.006275 0.001587 -0.005380 3C 1px 0.005733 -0.002897 0.007923 -0.001572 0.000016 -0.002751 3C 1py -0.001645 -0.010338 0.004843 0.003198 0.000194 0.013558 3C 2pz -0.233675 0.263226 -0.023308 -0.045587 -0.014424 0.149623 3C 2px -0.118800 0.049684 -0.072056 0.044900 0.019201 0.081217 3C 2py 0.177704 -0.009243 -0.090718 -0.037822 0.070719 -0.273462 3C 3pz -0.002245 -0.030356 0.011011 0.018222 0.000311 -0.042343 3C 3px -0.000059 -0.005311 -0.025035 0.031633 -0.009059 -0.067826 3C 3py 0.026145 -0.029152 0.023826 0.004538 -0.000100 0.118407 3C 1dz2 0.009591 -0.012122 0.006006 0.000567 -0.001204 -0.000921 3C 1dxz 0.001035 -0.010390 0.001289 0.005577 0.001946 0.002660 3C 1dyz 0.002251 0.007623 -0.011637 -0.003507 0.003425 -0.009882 3C 1dx2y2 0.019172 -0.022352 -0.001747 0.003895 0.003645 -0.005743 3C 1dxy 0.009294 -0.005265 0.007563 -0.002817 0.005217 -0.003753 3C 2dz2 -0.030844 0.091713 -0.017687 -0.027823 0.005028 -0.018603 3C 2dxz -0.023136 0.025736 -0.029400 -0.005232 -0.054806 0.021045 3C 2dyz 0.080242 -0.044447 -0.040260 0.000163 0.025433 -0.089401 3C 2dx2y2 0.055936 -0.037105 -0.037045 0.009978 -0.028390 -0.072209 3C 2dxy 0.054690 -0.034987 0.056221 -0.017702 0.007859 -0.038321 3C 1f0 0.018922 -0.012809 0.003109 -0.001296 -0.020689 -0.011159 3C 1f+1 -0.002926 -0.007401 0.009972 0.004194 0.017030 0.001410 3C 1f-1 -0.000902 -0.011178 -0.007047 0.007827 0.018698 -0.001527 3C 1f+2 0.001702 0.004609 -0.022307 0.003237 0.010535 -0.023352 3C 1f-2 0.013294 0.003498 0.005839 -0.008973 -0.011472 -0.012277 3C 1f+3 0.001300 -0.010343 -0.015863 0.007279 -0.029228 0.007420 3C 1f-3 0.010531 -0.011649 -0.025662 0.006768 -0.006434 -0.011308 4C 1s 0.003006 -0.001084 -0.003864 -0.001227 0.001058 -0.014875 4C 2s 0.003158 -0.001683 -0.005314 -0.002483 0.001122 -0.024718 4C 3s 0.093607 -0.005988 -0.049528 0.013738 0.028587 0.152283 4C 4s -0.495941 0.066089 0.407397 0.008837 -0.153877 0.059076 4C 5s 0.042466 0.010710 0.042656 0.055584 -0.007914 0.349512 4C 1pz -0.013715 -0.000255 0.015290 0.009968 -0.001635 0.016534 4C 1px 0.004743 0.003224 0.005226 0.005890 -0.002130 0.005108 4C 1py -0.008498 -0.001035 0.011774 0.008891 -0.001934 0.013307 4C 2pz 0.076125 0.148535 -0.053626 -0.108106 0.031794 0.440210 4C 2px -0.101766 0.083013 -0.019543 0.082563 -0.160254 0.071846 4C 2py 0.113938 -0.113509 0.056792 -0.008414 -0.007767 0.278573 4C 3pz 0.097594 -0.081841 -0.031644 -0.147523 0.001425 -0.291646 4C 3px 0.000052 0.063020 0.165541 0.229262 -0.031506 -0.063823 4C 3py 0.054990 0.102873 -0.006945 -0.021924 -0.029271 -0.193020 4C 1dz2 -0.001167 0.047191 -0.047248 -0.025844 -0.029420 -0.045302 4C 1dxz -0.011760 0.032832 -0.016030 0.009614 0.031844 -0.065193 4C 1dyz -0.003174 -0.029039 0.018830 -0.003426 0.039371 0.000493 4C 1dx2y2 -0.057592 0.053762 0.022456 0.006889 0.028048 0.109330 4C 1dxy 0.004318 0.004291 0.010765 0.023775 -0.084890 0.042946 4C 2dz2 0.021383 -0.097414 0.089611 0.099383 0.009880 -0.101375 4C 2dxz -0.017042 -0.120813 -0.043702 -0.081546 0.021586 -0.077098 4C 2dyz -0.126421 0.060179 0.050446 0.021072 0.013568 -0.089695 4C 2dx2y2 0.010557 -0.050725 0.079704 -0.032712 0.036957 0.091729 4C 2dxy -0.035985 -0.038432 -0.067708 -0.058240 -0.124960 -0.011060 4C 1f0 0.056089 -0.051967 -0.033668 -0.012391 -0.072285 -0.023909 4C 1f+1 0.038404 -0.058530 0.040592 0.025500 0.107118 -0.038933 4C 1f-1 0.008888 0.011537 -0.008167 -0.016929 0.059899 0.004011 4C 1f+2 -0.049351 0.036361 0.034876 0.006550 0.037994 0.032240 4C 1f-2 -0.014711 0.081657 -0.030436 0.023567 -0.069824 0.001650 4C 1f+3 0.079179 -0.095532 0.033456 0.036881 -0.070418 -0.006562 4C 1f-3 -0.009193 0.097078 -0.064482 -0.005330 -0.031732 -0.031018 5C 1s -0.000553 0.001682 0.004911 0.002996 -0.002408 -0.013422 5C 2s 0.000362 0.002462 0.007311 0.004253 -0.002863 -0.022219 5C 3s -0.092227 0.018053 0.019524 0.030777 -0.029714 0.149722 5C 4s 0.416685 -0.191220 -0.328250 -0.273416 0.216863 -0.016472 5C 5s -0.073359 -0.013835 0.035091 -0.023208 0.033736 0.403251 5C 1pz 0.005931 -0.009369 -0.008049 -0.003138 0.004638 0.007284 5C 1px 0.003635 -0.005914 -0.001270 -0.007390 -0.001737 0.004135 5C 1py -0.014531 0.012940 0.013942 0.006155 -0.007347 -0.012279 5C 2pz -0.003571 -0.112953 -0.008535 0.021168 0.040220 0.264203 5C 2px -0.137536 0.043721 0.095180 -0.061976 -0.040130 0.166850 5C 2py 0.243617 -0.194610 0.100740 0.064647 0.009769 -0.431078 5C 3pz -0.050315 0.078712 -0.137526 0.031683 0.001522 -0.215624 5C 3px -0.032186 0.099129 0.214931 -0.111061 -0.007142 -0.026786 5C 3py 0.069554 0.041949 0.070540 -0.066919 -0.014901 0.302593 5C 1dz2 0.034758 -0.053366 0.026226 0.024174 -0.047588 -0.048725 5C 1dxz -0.019211 -0.011427 0.051438 0.025115 0.063516 -0.059527 5C 1dyz -0.022482 0.039560 0.009023 -0.005223 -0.014755 -0.023727 5C 1dx2y2 0.023694 -0.051733 -0.004641 -0.019341 0.023740 0.094786 5C 1dxy -0.003451 -0.017001 -0.024399 0.014971 0.070520 0.030892 5C 2dz2 -0.053568 0.112967 0.019626 -0.037879 -0.077709 -0.004072 5C 2dxz -0.019334 0.037431 -0.025340 0.066029 0.052645 -0.101067 5C 2dyz -0.073437 -0.034464 0.011372 0.063315 -0.032554 0.075055 5C 2dx2y2 -0.112292 0.107326 -0.114643 -0.011882 -0.007089 0.100437 5C 2dxy -0.063962 0.076903 0.117273 -0.014084 0.075496 0.111969 5C 1f0 -0.000377 0.042656 -0.033557 -0.022378 -0.093351 -0.025861 5C 1f+1 -0.086960 0.117547 -0.006697 0.003619 0.055075 -0.029669 5C 1f-1 -0.030387 0.038072 0.009547 -0.001506 0.046940 0.002769 5C 1f+2 0.055558 -0.082952 0.057070 0.014185 0.061314 0.009946 5C 1f-2 0.038490 -0.009390 -0.046509 -0.023783 -0.039245 0.022534 5C 1f+3 0.012295 0.008947 0.031160 -0.016377 -0.114135 -0.015041 5C 1f-3 -0.030728 0.097142 -0.030540 -0.054813 -0.022259 0.033239 6C 1s 0.000183 0.001708 0.004901 0.002939 0.002521 -0.012902 6C 2s -0.000988 0.002507 0.007289 0.004221 0.003017 -0.021527 6C 3s 0.093800 0.017854 0.020431 0.028244 0.030475 0.151985 6C 4s -0.403696 -0.190805 -0.331057 -0.261513 -0.225811 -0.046673 6C 5s 0.067228 -0.013033 0.037710 -0.023315 -0.036507 0.388942 6C 1pz 0.005046 0.009380 0.008383 0.002772 0.004691 -0.007076 6C 1px 0.002896 0.005925 0.000863 0.008352 -0.001688 -0.003355 6C 1py -0.012927 -0.012950 -0.014235 -0.005908 -0.007423 0.011816 6C 2pz -0.002465 0.112433 0.001986 -0.018877 0.043422 -0.256010 6C 2px -0.134260 -0.043236 -0.093464 0.056398 -0.040677 -0.170102 6C 2py 0.240458 0.193710 -0.096179 -0.065279 0.005773 0.416519 6C 3pz -0.047200 -0.078806 0.135770 -0.032031 0.006033 0.215797 6C 3px -0.026327 -0.098661 -0.214050 0.108906 -0.011628 0.024594 6C 3py 0.062928 -0.041384 -0.066499 0.067923 -0.020624 -0.300323 6C 1dz2 -0.035991 -0.053575 0.025654 0.023063 0.047665 -0.045973 6C 1dxz 0.016998 -0.010384 0.053772 0.025696 -0.062509 -0.056655 6C 1dyz 0.021682 0.039444 0.008546 -0.005359 0.015236 -0.022743 6C 1dx2y2 -0.021132 -0.051710 -0.004142 -0.019042 -0.024242 0.091721 6C 1dxy 0.004508 -0.016294 -0.022712 0.015743 -0.070860 0.029476 6C 2dz2 0.052836 0.112234 0.017937 -0.039895 0.079266 -0.003162 6C 2dxz 0.020817 0.038390 -0.026287 0.067303 -0.051265 -0.096168 6C 2dyz 0.070937 -0.034348 0.012796 0.062320 0.031504 0.078385 6C 2dx2y2 0.109974 0.106828 -0.114338 -0.009636 0.003351 0.094117 6C 2dxy 0.060446 0.077646 0.121815 -0.015497 -0.072702 0.106805 6C 1f0 -0.000697 -0.041347 0.036986 0.022948 -0.093039 0.025447 6C 1f+1 -0.086085 -0.118119 0.005842 -0.004256 0.053936 0.029845 6C 1f-1 -0.029980 -0.038466 -0.010427 0.000506 0.046343 -0.002413 6C 1f+2 0.055575 0.082129 -0.059125 -0.014570 0.060600 -0.009999 6C 1f-2 0.037065 0.010034 0.048075 0.024213 -0.038189 -0.019505 6C 1f+3 0.013015 -0.007924 -0.028804 0.018642 -0.114916 0.012740 6C 1f-3 -0.031306 -0.096371 0.032565 0.053740 -0.022153 -0.028913 7C 1s -0.002673 -0.000950 -0.003759 -0.001228 -0.001026 -0.014621 7C 2s -0.002616 -0.001508 -0.005234 -0.002476 -0.001060 -0.024387 7C 3s -0.094507 -0.006538 -0.044519 0.013403 -0.029930 0.153933 7C 4s 0.482986 0.065336 0.380815 0.009532 0.158268 0.041622 7C 5s -0.039677 0.011074 0.042460 0.055126 0.010928 0.341458 7C 1pz -0.012495 -0.000310 -0.014967 -0.009838 -0.001697 -0.015731 7C 1px 0.004900 -0.003075 -0.004430 -0.006576 -0.002346 -0.005811 7C 1py -0.007794 0.000778 -0.011416 -0.009091 -0.002056 -0.013200 7C 2pz 0.076979 -0.139041 0.050247 0.108795 0.032210 -0.437479 7C 2px -0.103701 -0.081069 0.015697 -0.076407 -0.156109 -0.072217 7C 2py 0.115067 0.120391 -0.056999 0.009623 -0.005793 -0.274807 7C 3pz 0.089809 0.082434 0.032436 0.148066 -0.000109 0.291327 7C 3px 0.000531 -0.062442 -0.164608 -0.227563 -0.039750 0.062163 7C 3py 0.050326 -0.102353 0.007735 0.024058 -0.033859 0.189358 7C 1dz2 0.002377 0.047271 -0.047271 -0.026582 0.029199 -0.043590 7C 1dxz 0.013293 0.033671 -0.014059 0.009764 -0.031328 -0.063217 7C 1dyz 0.003097 -0.028613 0.019056 -0.002931 -0.039302 -0.000123 7C 1dx2y2 0.055052 0.053791 0.023033 0.007093 -0.027882 0.108084 7C 1dxy -0.005164 0.002950 0.008312 0.023069 0.084807 0.042172 7C 2dz2 -0.023706 -0.095719 0.085692 0.101406 -0.006813 -0.102608 7C 2dxz 0.017973 -0.117853 -0.042080 -0.082149 -0.026805 -0.077359 7C 2dyz 0.124168 0.062618 0.048692 0.022080 -0.012045 -0.089184 7C 2dx2y2 -0.011530 -0.053640 0.078551 -0.032294 -0.036557 0.087058 7C 2dxy 0.036989 -0.039743 -0.070694 -0.060538 0.120529 -0.012954 7C 1f0 0.054899 0.052891 0.035401 0.012954 -0.070883 0.024228 7C 1f+1 0.038058 0.056934 -0.043645 -0.026917 0.106292 0.039502 7C 1f-1 0.008526 -0.012292 0.006032 0.016543 0.059573 -0.005048 7C 1f+2 -0.048187 -0.036542 -0.034548 -0.007259 0.036538 -0.031043 7C 1f-2 -0.015013 -0.081144 0.030231 -0.022190 -0.069983 -0.003270 7C 1f+3 0.079376 0.097155 -0.029681 -0.037022 -0.071143 0.008864 7C 1f-3 -0.009970 -0.097597 0.063136 0.006123 -0.032361 0.027166 8C 1s 0.000026 0.000438 -0.000250 -0.000377 -0.000103 -0.000673 8C 2s 0.000516 0.000502 -0.000262 -0.000535 -0.000255 0.001265 8C 3s -0.066752 -0.018255 -0.017695 -0.009418 -0.012023 -0.095500 8C 4s 0.361333 0.125587 0.089258 0.053755 0.065830 0.515687 8C 5s -0.002677 0.000171 -0.128329 0.055067 -0.000170 -0.657343 8C 1pz 0.016209 0.023729 -0.006348 -0.006174 0.001542 0.004907 8C 1px 0.005792 0.002888 -0.007858 0.001577 -0.000120 0.002642 8C 1py -0.001574 0.010311 -0.005164 -0.003073 0.000240 -0.013487 8C 2pz -0.229688 -0.262290 0.021387 0.045252 -0.012886 -0.145225 8C 2px -0.117114 -0.049843 0.069429 -0.044700 0.020500 -0.081005 8C 2py 0.171190 0.008832 0.095553 0.034536 0.070447 0.272748 8C 3pz -0.001180 0.030080 -0.012069 -0.018544 0.000470 0.041793 8C 3px -0.000121 0.005371 0.024786 -0.031009 -0.008205 0.067424 8C 3py 0.025128 0.029102 -0.023298 -0.004157 -0.000917 -0.116329 8C 1dz2 -0.009556 -0.012092 0.006028 0.000465 0.001299 -0.000781 8C 1dxz -0.001211 -0.010497 0.001582 0.005515 -0.002000 0.002982 8C 1dyz -0.001948 0.007543 -0.011932 -0.003221 -0.003573 -0.010288 8C 1dx2y2 -0.018825 -0.022212 -0.001805 0.003936 -0.003728 -0.005632 8C 1dxy -0.009228 -0.005295 0.007605 -0.002721 -0.004974 -0.003925 8C 2dz2 0.030654 0.091471 -0.018672 -0.027222 -0.004081 -0.020012 8C 2dxz 0.022190 0.023996 -0.029991 -0.005537 0.053836 0.020173 8C 2dyz -0.078149 -0.044731 -0.041174 0.001337 -0.026596 -0.089045 8C 2dx2y2 -0.053885 -0.036608 -0.039426 0.009606 0.028063 -0.071191 8C 2dxy -0.054542 -0.035243 0.055727 -0.017446 -0.005830 -0.037434 8C 1f0 0.018780 0.012987 -0.002490 0.001651 -0.020816 0.010883 8C 1f+1 -0.002805 0.006863 -0.010558 -0.004224 0.016859 -0.001580 8C 1f-1 -0.001081 0.010863 0.006494 -0.008005 0.019069 0.001490 8C 1f+2 0.001457 -0.004576 0.022427 -0.003697 0.010982 0.023346 8C 1f-2 0.013252 -0.003144 -0.005150 0.008826 -0.011733 0.012372 8C 1f+3 0.001210 0.010557 0.016303 -0.006648 -0.028724 -0.007593 8C 1f-3 0.010039 0.011756 0.026003 -0.006734 -0.005835 0.011305 9C 1s 0.000898 0.000483 0.000348 0.000354 0.000258 -0.000602 9C 2s 0.000740 0.000583 0.000506 0.000503 0.000244 0.001292 9C 3s 0.061422 0.000877 0.021043 0.009785 0.015366 -0.086793 9C 4s -0.331054 0.001017 -0.133742 -0.088577 -0.074616 0.471175 9C 5s -0.081069 -0.029406 -0.029215 -0.169262 0.033738 -0.597186 9C 1pz -0.010819 -0.010478 0.003962 0.000997 -0.004065 0.010619 9C 1px -0.005897 -0.010860 -0.001244 -0.005241 -0.002676 0.001966 9C 1py 0.004984 0.020496 -0.009687 -0.004938 0.005369 0.009876 9C 2pz 0.194234 0.054016 0.022148 0.014807 0.081859 -0.237112 9C 2px 0.080702 0.101429 0.041360 0.074859 0.021309 -0.039967 9C 2py 0.061165 -0.182828 0.136563 0.074180 -0.072165 -0.180592 9C 3pz 0.029382 -0.021799 0.000845 0.027662 -0.015993 0.101498 9C 3px -0.006969 -0.002079 0.032015 0.030264 0.011469 0.032525 9C 3py 0.023942 0.039714 0.003728 0.015722 0.014333 0.074441 9C 1dz2 -0.000690 0.017797 -0.006979 0.002108 0.004089 0.007110 9C 1dxz 0.002132 0.011141 -0.013002 -0.010256 0.004279 0.003983 9C 1dyz -0.014122 -0.007227 -0.000812 -0.000374 -0.007062 0.007884 9C 1dx2y2 0.011063 0.013288 -0.003480 -0.002021 0.004064 -0.001240 9C 1dxy -0.004601 -0.008331 -0.002901 -0.005375 0.002033 0.000476 9C 2dz2 -0.069798 -0.040280 0.024410 0.025556 0.006512 0.051257 9C 2dxz -0.005347 -0.002699 -0.043172 -0.057780 0.021827 0.027721 9C 2dyz -0.046775 0.047389 -0.041897 -0.014821 -0.004920 0.091202 9C 2dx2y2 -0.021402 -0.049371 0.010569 0.003222 0.022908 -0.031541 9C 2dxy -0.018490 -0.062759 -0.004096 -0.031352 -0.055890 0.015804 9C 1f0 0.014665 -0.002776 -0.007646 -0.017524 -0.023908 -0.002248 9C 1f+1 0.001886 0.005314 0.007866 0.014622 0.020109 -0.004838 9C 1f-1 0.009003 -0.001280 -0.003360 -0.005309 0.017320 -0.021359 9C 1f+2 -0.015841 0.004370 0.000533 0.008806 0.004103 0.011257 9C 1f-2 0.016300 0.017004 0.017849 0.023390 -0.013308 -0.009972 9C 1f+3 0.000978 -0.007636 0.017244 0.012273 -0.031386 -0.002025 9C 1f-3 0.008681 0.006301 -0.004804 -0.006553 -0.001704 0.001001 10H 1s -0.012595 0.007220 -0.007988 -0.012288 0.001758 -0.002147 10H 2s -0.049033 0.053018 0.006694 0.016246 -0.004590 0.009201 10H 3s 0.018220 -0.008971 0.007911 0.005063 -0.001081 0.062288 10H 1pz -0.010652 0.013759 0.002156 0.006474 -0.000482 -0.003937 10H 1px 0.014247 -0.011940 0.003079 0.002493 0.000261 -0.000414 10H 1py -0.001861 0.007313 0.000304 0.004519 -0.012255 -0.002820 11H 1s 0.003600 -0.014374 0.005564 -0.000631 0.017762 -0.003473 11H 2s 0.011434 -0.080927 0.045764 0.032794 0.066727 -0.008179 11H 3s -0.017765 0.043765 -0.005353 0.009500 -0.014251 0.048019 11H 1pz 0.004218 -0.032837 0.017458 0.007674 0.013193 -0.009027 11H 1px 0.004167 -0.016221 0.008045 0.004808 0.010546 -0.004184 11H 1py 0.003732 -0.002883 -0.001683 -0.001711 -0.017493 -0.002135 12H 1s -0.002049 0.016574 -0.009941 -0.001976 -0.026165 -0.002753 12H 2s -0.013978 0.083850 -0.033955 -0.001344 -0.082841 0.004434 12H 3s -0.005824 -0.022374 0.001999 0.031577 0.030467 0.045418 12H 1pz -0.011866 0.008692 -0.002126 -0.002779 0.016141 -0.003165 12H 1px 0.000876 0.008065 -0.004343 -0.000301 -0.009252 -0.001168 12H 1py -0.013604 0.036066 -0.014366 -0.003018 -0.025820 -0.002713 13H 1s 0.000130 0.011415 -0.016714 -0.002710 -0.010396 -0.008026 13H 2s -0.021353 0.064051 -0.005358 -0.036496 -0.027000 0.003822 13H 3s -0.007550 -0.019229 0.007557 0.000107 0.011845 0.078671 13H 1pz -0.007652 0.019363 -0.003109 -0.008086 0.002053 -0.004059 13H 1px 0.001228 -0.010268 0.007257 0.005085 0.014610 0.002304 13H 1py 0.004921 -0.012510 -0.002737 0.006789 0.003161 0.003642 14H 1s -0.015124 0.021804 -0.004768 -0.002897 0.019876 -0.004866 14H 2s -0.059458 0.090640 -0.021954 -0.012576 0.056686 0.005080 14H 3s 0.007405 -0.015088 0.036192 0.012947 -0.016334 0.059340 14H 1pz -0.012741 0.027862 -0.010818 -0.005887 0.004235 -0.004745 14H 1px -0.018646 0.027558 -0.007452 -0.003814 0.015783 -0.004011 14H 1py -0.004134 -0.004952 0.007805 0.001576 0.016689 0.005942 15H 1s 0.009229 -0.013904 0.002741 0.003907 -0.010677 -0.002545 15H 2s 0.042074 -0.087920 0.052417 0.016450 -0.038381 0.002905 15H 3s -0.025534 0.044436 -0.002077 -0.021736 0.007741 0.044901 15H 1pz -0.001034 0.001510 -0.004241 -0.000339 0.014897 -0.001456 15H 1px 0.003413 -0.011061 0.003612 0.003647 0.006861 -0.002111 15H 1py -0.022113 0.037338 -0.014984 -0.006506 0.005457 0.005916 16H 1s 0.071165 0.014990 0.001359 0.089412 0.061944 -0.116707 16H 2s 0.178177 -0.026882 -0.142719 0.143047 0.167271 -0.254124 16H 3s -0.005524 0.004484 0.008998 0.007281 -0.018625 0.051205 16H 1pz 0.143801 -0.005798 -0.079944 0.144746 0.114333 -0.149846 16H 1px 0.117147 0.043701 0.053101 0.150716 0.032652 -0.009580 16H 1py -0.034096 0.032285 0.091121 -0.016867 0.014532 -0.136082 17H 1s 0.061364 -0.004436 -0.045729 0.066890 0.066521 -0.121603 17H 2s 0.175425 0.031750 0.006082 0.189100 0.180432 -0.238780 17H 3s -0.005848 -0.004311 -0.009852 -0.002121 -0.021104 0.049710 17H 1pz -0.173993 0.010087 0.107814 -0.176540 -0.108291 0.103641 17H 1px -0.024436 -0.039742 -0.086505 -0.048449 -0.053987 0.065438 17H 1py -0.027405 -0.024758 -0.049247 -0.040449 0.038147 -0.170125 18H 1s -0.060727 -0.004171 -0.045849 0.067600 -0.067251 -0.123014 18H 2s -0.175494 0.030751 0.003620 0.190903 -0.178489 -0.245050 18H 3s 0.006161 -0.004549 -0.010457 -0.002853 0.020714 0.051090 18H 1pz -0.171198 -0.011954 -0.112637 0.175765 -0.110027 -0.108372 18H 1px -0.026249 0.040330 0.088268 0.048995 -0.051670 -0.069465 18H 1py -0.033477 0.024205 0.046288 0.044629 0.037210 0.168757 19H 1s -0.071776 0.015325 0.001312 0.089844 -0.059620 -0.117838 19H 2s -0.177576 -0.028719 -0.146999 0.144211 -0.166323 -0.254330 19H 3s 0.005001 0.004234 0.007943 0.007494 0.018691 0.051950 19H 1pz 0.144674 0.007321 0.084760 -0.146490 0.112593 0.147313 19H 1px 0.119007 -0.043087 -0.051111 -0.150689 0.028900 0.008706 19H 1py -0.026719 -0.033796 -0.092473 0.011123 0.014470 0.141640 20H 1s -0.009326 -0.014062 0.002551 0.003669 0.010928 -0.002250 20H 2s -0.042657 -0.087916 0.051776 0.015254 0.039986 0.005071 20H 3s 0.025669 0.044145 -0.002251 -0.021788 -0.007704 0.044136 20H 1pz -0.001372 -0.001726 0.003947 0.000040 0.015378 0.001634 20H 1px 0.003425 0.011045 -0.003904 -0.003674 0.006589 0.001880 20H 1py -0.022088 -0.037291 0.014896 0.006312 0.005690 -0.005192 21H 1s 0.015061 0.021841 -0.004514 -0.002318 -0.019773 -0.005154 21H 2s 0.058960 0.090996 -0.020798 -0.011312 -0.056628 0.004270 21H 3s -0.007755 -0.015307 0.035972 0.012264 0.017077 0.058235 21H 1pz -0.012880 -0.027992 0.010976 0.005602 0.004542 0.005122 21H 1px -0.018418 -0.027484 0.007163 0.003385 0.015619 0.004163 21H 1py -0.004011 0.004806 -0.008429 -0.001826 0.016722 -0.005940 22H 1s -0.000009 0.010900 -0.017173 -0.002536 0.009764 -0.008338 22H 2s 0.020399 0.062453 -0.006010 -0.035619 0.026041 0.002382 22H 3s 0.007479 -0.018667 0.008115 -0.000113 -0.011569 0.077488 22H 1pz -0.007366 -0.018818 0.003050 0.007615 0.002327 0.004338 22H 1px 0.001250 0.009930 -0.007755 -0.005048 0.014168 -0.002491 22H 1py 0.004671 0.012295 0.002607 -0.006703 0.003383 -0.003769 23H 1s 0.001929 0.016056 -0.010349 -0.002479 0.025963 -0.002338 23H 2s 0.013242 0.083147 -0.034514 -0.002080 0.083258 0.005939 23H 3s 0.005333 -0.022642 0.003463 0.032352 -0.030456 0.043871 23H 1pz -0.011965 -0.009221 0.001573 0.002562 0.016118 0.002963 23H 1px 0.000924 -0.007778 0.004203 0.000427 -0.008667 0.000921 23H 1py -0.013342 -0.035901 0.014496 0.003320 -0.026188 0.002042 24H 1s -0.003324 -0.014165 0.006029 -0.000421 -0.018277 -0.003839 24H 2s -0.011027 -0.079170 0.047007 0.033601 -0.067539 -0.009441 24H 3s 0.016401 0.042533 -0.004273 0.009631 0.015032 0.048553 24H 1pz 0.004349 0.032561 -0.017217 -0.007891 0.013105 0.009686 24H 1px 0.004013 0.016024 -0.008372 -0.005054 0.011242 0.004497 24H 1py 0.003942 0.003231 0.002358 0.001797 -0.017633 0.002320 25H 1s 0.012216 0.006290 -0.007820 -0.012242 -0.001732 -0.002017 25H 2s 0.047377 0.049534 0.008098 0.016568 0.006266 0.009405 25H 3s -0.018234 -0.008310 0.007341 0.005234 0.000714 0.061330 25H 1pz -0.010493 -0.013152 -0.002586 -0.006492 -0.000550 0.003730 25H 1px 0.013660 0.010902 -0.002728 -0.002436 0.000764 0.000530 25H 1py -0.001453 -0.006627 -0.000239 -0.004501 -0.012235 0.002745 26O 1s -0.000025 -0.000259 -0.000453 -0.000816 0.000454 -0.002345 26O 2s 0.000805 -0.001106 -0.002195 -0.003062 0.001949 -0.009068 26O 3s -0.032506 0.016705 0.038649 0.036841 -0.036113 0.134328 26O 4s 0.122401 -0.043257 -0.102379 -0.064147 0.120888 -0.350263 26O 5s 0.140745 0.022691 0.036848 0.162624 0.122793 0.011757 26O 1pz -0.004837 0.011304 -0.013080 -0.006552 0.016129 0.003271 26O 1px 0.004491 0.004296 -0.015537 -0.012858 0.017145 -0.031570 26O 1py 0.017045 -0.029656 -0.000473 -0.003518 -0.021739 -0.011171 26O 2pz 0.018908 -0.047054 0.028942 -0.000090 -0.060428 -0.012116 26O 2px -0.090467 -0.016924 0.072711 0.013403 -0.108565 0.183373 26O 2py -0.098179 0.106885 0.003548 -0.017084 0.050171 0.069581 26O 3pz 0.043387 0.096153 0.063237 0.200685 -0.040374 0.060232 26O 3px 0.016393 0.066581 0.051728 0.093222 -0.082588 0.047138 26O 3py -0.007932 0.014975 0.206962 0.133129 0.051880 0.071388 26O 1dz2 0.033979 -0.253145 0.162253 0.006375 0.318631 -0.054376 26O 1dxz 0.003396 -0.027331 0.096906 0.110534 0.015153 0.010383 26O 1dyz 0.006938 0.151987 -0.106696 -0.019733 -0.213302 -0.058428 26O 1dx2y2 0.052551 -0.141916 0.020355 -0.052702 0.073501 -0.016859 26O 1dxy 0.016374 -0.077106 0.068467 0.018452 0.204714 -0.027245 26O 2dz2 -0.050959 0.181842 -0.086964 0.003407 -0.222563 0.081474 26O 2dxz -0.023797 0.055523 -0.058233 -0.065328 0.028759 -0.024195 26O 2dyz -0.007158 -0.092170 0.075492 0.014895 0.157292 0.027019 26O 2dx2y2 -0.037433 0.129541 -0.047939 0.007596 0.003214 -0.034630 26O 2dxy 0.051773 -0.001020 -0.061176 -0.007860 -0.154292 -0.050941 26O 1f0 -0.022462 0.017913 0.000979 -0.010352 0.034351 -0.034319 26O 1f+1 0.041971 -0.074960 0.015574 -0.000273 0.030976 -0.055199 26O 1f-1 0.031770 -0.051988 0.008926 0.014161 -0.022421 -0.027149 26O 1f+2 0.049358 -0.085466 0.019537 0.009380 -0.046774 0.031697 26O 1f-2 0.009510 0.015921 -0.006310 0.015864 -0.055049 0.032071 26O 1f+3 -0.080196 0.117227 -0.016330 -0.028420 0.094878 0.011939 26O 1f-3 0.020326 0.003599 -0.046660 -0.017451 -0.054327 -0.079855 27O 1s 0.000740 -0.000156 -0.000470 0.000849 0.000173 -0.002603 27O 2s 0.002146 -0.000517 -0.001274 0.003232 0.000193 -0.009789 27O 3s -0.018289 0.003913 0.002233 -0.047983 0.006611 0.139903 27O 4s 0.042868 -0.012186 0.036058 0.121693 -0.036946 -0.365545 27O 5s -0.005309 0.016760 0.187325 0.023100 0.015151 0.071237 27O 1pz -0.001611 -0.023443 0.010660 0.006617 0.028042 0.007635 27O 1px -0.001603 -0.002890 0.009771 0.012788 0.002917 -0.029127 27O 1py 0.003419 -0.017989 0.003943 0.001958 0.025169 0.000643 27O 2pz -0.006431 0.083662 -0.049471 -0.023494 -0.103086 -0.039665 27O 2px 0.011902 -0.000698 -0.112391 -0.073479 0.013887 0.162701 27O 2py -0.010406 0.070064 0.016899 -0.010951 -0.091875 -0.001606 27O 3pz 0.003755 -0.071028 0.090928 -0.093174 -0.042716 0.099919 27O 3px -0.083179 0.020243 0.115402 -0.112447 -0.026039 0.106021 27O 3py 0.033782 -0.101843 -0.204376 0.059451 -0.042315 -0.136955 27O 1dz2 -0.246777 0.310737 -0.037688 -0.034282 0.258990 0.012547 27O 1dxz 0.021197 0.058597 0.062863 -0.040264 -0.060158 0.048937 27O 1dyz 0.119221 -0.115746 0.082438 -0.013883 -0.054222 0.144294 27O 1dx2y2 -0.132154 0.164530 -0.060221 -0.000531 0.097571 -0.005432 27O 1dxy 0.059604 -0.077284 -0.081730 0.024681 -0.109383 -0.012140 27O 2dz2 0.163385 -0.207341 0.010435 0.002222 -0.172281 0.035986 27O 2dxz 0.001451 -0.082173 -0.004827 0.045826 0.109745 -0.026723 27O 2dyz -0.081891 0.092144 -0.055430 0.002075 0.018183 -0.094306 27O 2dx2y2 0.087144 -0.121418 0.069963 0.041790 -0.054942 -0.059409 27O 2dxy -0.030179 0.012223 0.050719 -0.004323 0.121357 0.043989 27O 1f0 0.015849 -0.057902 0.036025 0.036077 0.079033 -0.014914 27O 1f+1 -0.044606 0.069761 -0.005120 0.011095 0.029180 -0.058005 27O 1f-1 0.002300 -0.033506 0.009281 0.007095 0.035618 0.014336 27O 1f+2 -0.009398 0.043831 -0.048711 -0.031565 -0.095742 0.008147 27O 1f-2 0.027074 -0.065632 0.017494 0.028664 0.054882 0.011653 27O 1f+3 0.045414 -0.085635 0.052403 0.050800 0.055265 -0.035091 27O 1f-3 -0.015857 -0.019759 -0.001833 0.006421 0.078046 0.071457 28O 1s -0.000741 0.000140 0.000072 0.000782 -0.000298 -0.002765 28O 2s -0.001744 0.000401 -0.000131 0.002756 -0.001010 -0.010440 28O 3s 0.004877 0.000161 0.015936 -0.033707 0.011804 0.151790 28O 4s 0.007940 -0.027274 -0.076481 0.069664 -0.025955 -0.410623 28O 5s 0.035664 -0.081480 -0.163952 -0.029727 -0.083678 0.066486 28O 1pz 0.011937 0.012795 -0.014762 -0.003802 -0.018631 -0.017053 28O 1px -0.003981 0.011318 0.001203 -0.001489 -0.008308 0.028964 28O 1py 0.003476 -0.025737 0.009086 0.000999 0.033224 0.001595 28O 2pz -0.058363 -0.015387 0.114295 0.034444 0.073705 0.105423 28O 2px 0.046563 -0.064251 -0.055754 -0.000723 0.026071 -0.174276 28O 2py -0.017353 0.101537 -0.023816 0.009783 -0.116619 -0.005394 28O 3pz 0.083561 -0.031052 -0.077429 -0.263695 0.040800 0.133203 28O 3px -0.050961 0.025747 -0.007384 0.042475 -0.019335 -0.015809 28O 3py 0.040813 -0.142140 -0.114786 -0.094004 -0.049520 0.047031 28O 1dz2 0.142202 -0.246725 0.010847 -0.033213 -0.099754 -0.029611 28O 1dxz 0.134452 -0.147662 0.051540 0.028600 -0.146276 -0.035976 28O 1dyz -0.038700 0.106384 -0.018942 0.007414 0.017322 -0.088169 28O 1dx2y2 0.190875 -0.199125 0.090795 0.102877 -0.185860 -0.069072 28O 1dxy -0.065343 0.092501 0.056406 0.079120 0.137010 -0.059316 28O 2dz2 -0.098471 0.192752 -0.045031 0.012940 0.012855 0.004209 28O 2dxz -0.108274 0.098177 0.008074 -0.023588 0.117396 0.107014 28O 2dyz 0.029233 -0.097966 0.031869 -0.005434 0.024814 0.044173 28O 2dx2y2 -0.108699 0.123169 -0.065366 -0.055344 0.139002 0.001536 28O 2dxy 0.035688 -0.020492 -0.055712 -0.042309 -0.147734 0.050991 28O 1f0 0.050944 -0.112482 0.055581 0.010303 0.059551 -0.021938 28O 1f+1 0.004419 0.035364 -0.063282 -0.004038 -0.092036 -0.080909 28O 1f-1 -0.009825 0.023352 -0.023316 -0.009831 -0.015916 0.011408 28O 1f+2 -0.010742 -0.013295 0.023966 0.001679 0.022690 0.062573 28O 1f-2 0.001443 -0.063041 0.044445 -0.007498 0.104990 -0.025450 28O 1f+3 0.032392 -0.058129 0.017472 -0.002095 -0.018528 0.007127 28O 1f-3 -0.010276 -0.014119 0.021465 -0.010444 0.084598 -0.032375 29O 1s -0.001990 -0.000183 0.000640 -0.002536 -0.001784 0.003081 29O 2s -0.007664 -0.000614 0.002560 -0.009429 -0.006799 0.010798 29O 3s 0.121953 0.008290 -0.042231 0.144038 0.112143 -0.172120 29O 4s -0.281684 -0.018796 0.100315 -0.336913 -0.243469 0.324817 29O 5s -0.151006 0.005562 0.055847 -0.090056 -0.225781 0.472184 29O 1pz -0.014898 -0.005882 -0.007544 -0.019063 -0.007544 0.010342 29O 1px 0.023888 -0.000865 -0.013756 0.023258 0.016383 -0.021074 29O 1py -0.035903 -0.000611 0.016837 -0.041646 -0.027693 0.038331 29O 2pz 0.078571 0.019155 0.010583 0.091338 0.049136 -0.092195 29O 2px -0.127213 -0.000211 0.060748 -0.129069 -0.114375 0.205470 29O 2py 0.190087 0.004859 -0.081860 0.213322 0.158219 -0.224206 29O 3pz 0.010721 -0.064780 -0.165773 -0.037300 -0.013554 0.063100 29O 3px -0.051392 -0.023796 -0.030078 -0.087196 0.036948 -0.231469 29O 3py 0.030013 0.003604 0.012266 -0.011053 0.056375 -0.014271 29O 1dz2 -0.224132 0.104193 0.358097 -0.172319 -0.116562 0.024883 29O 1dxz -0.276234 -0.192478 -0.338203 -0.415352 -0.125685 0.233247 29O 1dyz 0.204171 -0.159541 -0.485009 0.126355 0.063930 0.029545 29O 1dx2y2 -0.119241 -0.073630 -0.130055 -0.160396 0.035740 -0.659205 29O 1dxy -0.541123 -0.046413 0.147030 -0.618383 -0.130066 -0.041329 29O 2dz2 0.139012 -0.075417 -0.248126 0.102418 0.045609 0.075820 29O 2dxz 0.182648 0.132612 0.237912 0.278858 0.058659 -0.092307 29O 2dyz -0.157626 0.109551 0.340769 -0.104103 -0.052731 -0.007956 29O 2dx2y2 0.094633 0.052341 0.087356 0.125057 -0.014900 0.442468 29O 2dxy 0.408945 0.033766 -0.114997 0.467200 0.138751 -0.046659 29O 1f0 0.029450 0.019930 0.029879 0.045738 0.056808 -0.162110 29O 1f+1 -0.014683 -0.031659 -0.069955 -0.037207 -0.025518 0.084776 29O 1f-1 0.025943 0.009308 0.011023 0.033308 0.046708 -0.094550 29O 1f+2 -0.034323 0.040176 0.114174 -0.014415 -0.038945 0.096654 29O 1f-2 -0.022103 -0.020587 -0.043319 -0.033233 0.024719 -0.052324 29O 1f+3 -0.096516 -0.021483 -0.008389 -0.111589 -0.044626 0.038116 29O 1f-3 -0.030716 0.013413 0.049152 -0.024898 -0.031450 0.091804 30O 1s 0.000499 0.000362 0.001008 -0.000233 -0.000210 -0.002306 30O 2s 0.001044 0.001479 0.004251 -0.000464 -0.001318 -0.008783 30O 3s 0.001658 -0.021867 -0.065853 -0.005298 0.029521 0.130045 30O 4s -0.020500 0.046939 0.167705 0.045234 -0.100927 -0.354651 30O 5s -0.093926 -0.054697 -0.038421 0.087111 -0.055460 0.003979 30O 1pz 0.008213 -0.022240 0.020460 0.008417 -0.030064 -0.009982 30O 1px 0.005559 -0.009131 -0.008678 -0.001518 -0.001145 0.024718 30O 1py 0.017428 -0.022014 -0.009316 -0.002087 -0.014596 0.008340 30O 2pz -0.020601 0.087948 -0.071227 -0.054839 0.122714 0.076824 30O 2px -0.054660 0.042456 0.058429 0.039488 -0.031722 -0.153457 30O 2py -0.081678 0.071220 0.029211 0.043760 0.028713 -0.075417 30O 3pz -0.054118 -0.098627 -0.099698 0.143484 0.086741 0.035721 30O 3px -0.004315 -0.019774 0.033194 0.035704 -0.018759 -0.021637 30O 3py 0.021502 0.055891 0.286100 -0.038484 0.019386 -0.043593 30O 1dz2 -0.043810 0.164366 -0.150924 -0.034312 -0.125324 0.010491 30O 1dxz -0.020473 0.165786 -0.103768 -0.078266 -0.284128 -0.026477 30O 1dyz 0.037130 -0.131762 0.052119 0.048206 0.147115 0.080965 30O 1dx2y2 -0.050353 0.200019 0.025188 -0.107628 -0.178074 0.010226 30O 1dxy -0.004350 0.053772 -0.073221 -0.007656 -0.156451 0.019039 30O 2dz2 0.076077 -0.166622 0.091628 0.019301 0.042687 0.006352 30O 2dxz 0.002119 -0.089048 0.032146 0.042173 0.241951 0.066670 30O 2dyz -0.025605 0.098213 -0.051746 -0.041319 -0.075137 -0.007639 30O 2dx2y2 0.034298 -0.131194 0.012738 0.070684 0.102712 -0.012032 30O 2dxy -0.040002 0.006569 0.074278 0.025416 0.117192 -0.070085 30O 1f0 -0.045106 0.079063 0.007617 -0.010509 -0.015349 -0.038148 30O 1f+1 0.065966 -0.066847 0.004808 -0.012668 -0.104436 -0.023271 30O 1f-1 0.081641 -0.116335 0.031715 0.004761 -0.063432 -0.005842 30O 1f+2 -0.010942 -0.004974 0.013028 0.010915 0.063351 -0.000702 30O 1f-2 -0.014407 0.009255 -0.032281 -0.009436 0.016298 0.069506 30O 1f+3 -0.045777 0.069700 -0.005564 0.007933 0.025879 -0.053251 30O 1f-3 0.002897 0.023203 -0.035369 -0.024646 -0.038692 0.037206 31O 1s -0.000534 0.000365 0.000972 -0.000204 0.000238 -0.002241 31O 2s -0.001199 0.001489 0.004134 -0.000385 0.001430 -0.008474 31O 3s 0.000815 -0.022030 -0.064339 -0.005943 -0.031231 0.123939 31O 4s 0.014417 0.047608 0.163130 0.046623 0.105293 -0.333093 31O 5s 0.101250 -0.056228 -0.042454 0.086907 0.058774 0.009352 31O 1pz 0.008947 0.022388 -0.020237 -0.007798 -0.030104 0.009058 31O 1px 0.004846 0.009215 0.008711 0.001604 -0.000898 -0.024282 31O 1py 0.016585 0.022291 0.009985 0.002032 -0.014261 -0.007809 31O 2pz -0.023262 -0.088380 0.069748 0.052516 0.123048 -0.069238 31O 2px -0.051096 -0.042782 -0.057504 -0.039689 -0.033528 0.145474 31O 2py -0.078633 -0.072248 -0.030582 -0.043473 0.027342 0.069463 31O 3pz -0.054021 0.097292 0.095211 -0.143434 0.090341 -0.031633 31O 3px -0.006145 0.020189 -0.030721 -0.035971 -0.020385 0.016012 31O 3py 0.024291 -0.055665 -0.284059 0.037107 0.011755 0.034675 31O 1dz2 0.045040 0.162041 -0.156713 -0.035243 0.123520 0.006310 31O 1dxz 0.021466 0.161704 -0.113323 -0.081019 0.283644 -0.031692 31O 1dyz -0.037478 -0.129789 0.057846 0.048998 -0.148092 0.080853 31O 1dx2y2 0.049866 0.197442 0.018569 -0.108554 0.181249 0.007553 31O 1dxy 0.004822 0.051448 -0.078740 -0.008700 0.154813 0.017940 31O 2dz2 -0.076145 -0.165511 0.094747 0.019074 -0.042188 0.009221 31O 2dxz -0.001449 -0.086147 0.039254 0.044846 -0.242080 0.066609 31O 2dyz 0.026447 0.096961 -0.054992 -0.041569 0.075413 -0.010361 31O 2dx2y2 -0.034853 -0.129594 0.016897 0.071001 -0.104330 -0.009355 31O 2dxy 0.037999 0.008439 0.078152 0.026299 -0.115107 -0.066167 31O 1f0 -0.043652 -0.078817 -0.006794 0.010446 -0.016062 0.038285 31O 1f+1 0.065878 0.067800 -0.002685 0.014461 -0.103794 0.021707 31O 1f-1 0.081652 0.116750 -0.031158 -0.003452 -0.062785 0.004264 31O 1f+2 -0.010735 0.004306 -0.014801 -0.011853 0.062875 0.000529 31O 1f-2 -0.016405 -0.009145 0.032378 0.008838 0.016628 -0.066901 31O 1f+3 -0.044687 -0.070027 0.005484 -0.008547 0.025163 0.052381 31O 1f-3 0.001614 -0.022425 0.037124 0.024609 -0.038235 -0.035271 32O 1s 0.001976 -0.000194 0.000626 -0.002537 0.001754 0.003114 32O 2s 0.007639 -0.000636 0.002566 -0.009460 0.006702 0.010912 32O 3s -0.121796 0.008366 -0.042943 0.144821 -0.110772 -0.174018 32O 4s 0.281661 -0.018575 0.103007 -0.338740 0.240695 0.328179 32O 5s 0.150450 0.006619 0.057805 -0.092568 0.223884 0.479197 32O 1pz -0.014336 0.005873 0.007882 0.018091 -0.006042 -0.009400 32O 1px 0.023945 0.000966 0.014300 -0.023650 0.016703 0.021620 32O 1py -0.035872 0.000605 -0.017094 0.042015 -0.027496 -0.038861 32O 2pz 0.075653 -0.018817 -0.011644 -0.086532 0.041010 0.086067 32O 2px -0.128012 -0.000114 -0.063128 0.131790 -0.115778 -0.209953 32O 2py 0.190252 -0.004472 0.084092 -0.215381 0.157068 0.227206 32O 3pz 0.006483 0.066028 0.168392 0.039155 -0.010219 -0.068033 32O 3px -0.052457 0.022501 0.026625 0.086403 0.037566 0.233390 32O 3py 0.030189 -0.001648 -0.008394 0.011353 0.055966 0.016445 32O 1dz2 0.224462 0.113008 0.384393 -0.177576 0.126540 0.021483 32O 1dxz 0.277663 -0.192115 -0.340926 -0.406736 0.108350 0.238497 32O 1dyz -0.173605 -0.163249 -0.486596 0.104450 -0.068357 0.024952 32O 1dx2y2 0.118662 -0.066923 -0.116789 -0.152260 -0.039910 -0.662393 32O 1dxy 0.548827 -0.046046 0.154317 -0.628532 0.127879 -0.049108 32O 2dz2 -0.139173 -0.081709 -0.266748 0.106080 -0.053717 0.079203 32O 2dxz -0.183225 0.132122 0.239675 0.271822 -0.045445 -0.094078 32O 2dyz 0.137323 0.112120 0.342096 -0.089260 0.055872 -0.002052 32O 2dx2y2 -0.094322 0.047609 0.077949 0.119379 0.018585 0.445176 32O 2dxy -0.414270 0.033529 -0.120250 0.474903 -0.136763 -0.041132 32O 1f0 0.029435 -0.019780 -0.029553 -0.044578 0.052080 0.157690 32O 1f+1 -0.017117 0.031745 0.069321 0.038058 -0.025501 -0.091509 32O 1f-1 0.027177 -0.012069 -0.016925 -0.035690 0.046625 0.100967 32O 1f+2 -0.031572 -0.041409 -0.117816 0.014064 -0.043501 -0.102206 32O 1f-2 -0.022059 0.020305 0.043360 0.031548 0.026478 0.049097 32O 1f+3 -0.097630 0.021580 0.008517 0.112443 -0.041866 -0.036022 32O 1f-3 -0.030825 -0.011765 -0.046004 0.027233 -0.032158 -0.090132 33O 1s 0.000774 0.000141 0.000081 0.000774 0.000327 -0.002734 33O 2s 0.001880 0.000425 -0.000076 0.002718 0.001100 -0.010293 33O 3s -0.007168 -0.000721 0.014417 -0.032957 -0.012538 0.149062 33O 4s -0.001347 -0.023062 -0.070844 0.066903 0.025874 -0.402000 33O 5s -0.036602 -0.078282 -0.157182 -0.032765 0.073883 0.066693 33O 1pz 0.011071 -0.012721 0.015085 0.003924 -0.018485 0.015904 33O 1px -0.003312 -0.011163 -0.000959 0.001559 -0.008312 -0.028716 33O 1py 0.003356 0.025471 -0.009558 -0.001491 0.033233 -0.001172 33O 2pz -0.053495 0.017029 -0.113069 -0.035800 0.070802 -0.099772 33O 2px 0.042402 0.061835 0.051906 0.001623 0.027807 0.171471 33O 2py -0.016677 -0.100227 0.025494 -0.008046 -0.117343 0.003532 33O 3pz 0.082205 0.030291 0.078183 0.263578 0.046752 -0.130888 33O 3px -0.050612 -0.027144 0.005183 -0.042858 -0.018556 0.012504 33O 3py 0.038917 0.142522 0.116248 0.094981 -0.043260 -0.040310 33O 1dz2 -0.141304 -0.249427 0.004565 -0.033239 0.097693 -0.036290 33O 1dxz -0.134416 -0.150942 0.043574 0.028182 0.146756 -0.040840 33O 1dyz 0.038168 0.107627 -0.015860 0.006390 -0.016092 -0.084796 33O 1dx2y2 -0.191064 -0.202391 0.082500 0.101067 0.187645 -0.075853 33O 1dxy 0.063900 0.094764 0.061721 0.079456 -0.133409 -0.054981 33O 2dz2 0.098464 0.194319 -0.041487 0.012016 -0.012063 0.010307 33O 2dxz 0.106036 0.099377 0.012056 -0.022748 -0.117319 0.107944 33O 2dyz -0.029024 -0.098207 0.030376 -0.004412 -0.025475 0.041408 33O 2dx2y2 0.109893 0.126030 -0.058726 -0.054129 -0.139831 0.006956 33O 2dxy -0.034843 -0.022619 -0.060024 -0.043352 0.145488 0.048631 33O 1f0 0.050802 0.112149 -0.055249 -0.011798 0.058979 0.024448 33O 1f+1 0.002016 -0.034960 0.065033 0.005210 -0.091834 0.078023 33O 1f-1 -0.009632 -0.023182 0.022844 0.010151 -0.015062 -0.012038 33O 1f+2 -0.009081 0.013558 -0.024334 -0.001643 0.023201 -0.061240 33O 1f-2 0.001180 0.061949 -0.045640 0.005894 0.104383 0.026112 33O 1f+3 0.032844 0.058937 -0.015915 0.002146 -0.017798 -0.005386 33O 1f-3 -0.010530 0.012856 -0.023438 0.009492 0.084311 0.031829 34O 1s -0.000762 -0.000150 -0.000480 0.000834 -0.000191 -0.002552 34O 2s -0.002244 -0.000495 -0.001295 0.003165 -0.000236 -0.009552 34O 3s 0.019942 0.003573 0.002189 -0.046474 -0.006582 0.135462 34O 4s -0.046813 -0.011120 0.036760 0.115783 0.038313 -0.350346 34O 5s 0.010298 0.016409 0.189762 0.016393 -0.006302 0.064600 34O 1pz -0.001522 0.023047 -0.011441 -0.006941 0.027924 -0.008207 34O 1px -0.000486 0.002723 -0.009978 -0.012907 0.002731 0.028077 34O 1py 0.003030 0.017731 -0.004562 -0.001988 0.025178 -0.000165 34O 2pz -0.006695 -0.082244 0.052224 0.024828 -0.102417 0.041311 34O 2px 0.006959 0.001535 0.114108 0.070330 0.017080 -0.154299 34O 2py -0.008972 -0.069170 -0.014527 0.011707 -0.092881 -0.000407 34O 3pz 0.003662 0.071753 -0.089831 0.093937 -0.044304 -0.098926 34O 3px -0.079223 -0.020262 -0.116504 0.110750 -0.026662 -0.102540 34O 3py 0.030905 0.102386 0.206406 -0.058818 -0.036543 0.129954 34O 1dz2 0.244742 0.313925 -0.033218 -0.028043 -0.258274 0.005366 34O 1dxz -0.022191 0.057737 0.060825 -0.040226 0.061818 0.047334 34O 1dyz -0.119480 -0.116721 0.080444 -0.014221 0.055449 0.143290 34O 1dx2y2 0.131937 0.165914 -0.057915 0.000756 -0.097949 -0.008048 34O 1dxy -0.058110 -0.078683 -0.083968 0.023284 0.106848 -0.009830 34O 2dz2 -0.161103 -0.209559 0.007150 -0.001254 0.171289 0.039003 34O 2dxz -0.000865 -0.080685 -0.001289 0.046428 -0.110275 -0.025270 34O 2dyz 0.081857 0.092542 -0.054833 0.002288 -0.018914 -0.093486 34O 2dx2y2 -0.088756 -0.121860 0.069497 0.040076 0.055904 -0.054173 34O 2dxy 0.029678 0.013670 0.053573 -0.002664 -0.120123 0.041564 34O 1f0 0.016337 0.056842 -0.038972 -0.036585 0.078531 0.013960 34O 1f+1 -0.042681 -0.070050 0.004864 -0.012242 0.028949 0.057534 34O 1f-1 0.001858 0.033007 -0.010459 -0.007199 0.035541 -0.014034 34O 1f+2 -0.009946 -0.042452 0.051699 0.032386 -0.094760 -0.006912 34O 1f-2 0.027077 0.064923 -0.019502 -0.029048 0.055007 -0.011745 34O 1f+3 0.046898 0.084645 -0.054577 -0.051062 0.054645 0.032335 34O 1f-3 -0.017468 0.018862 -0.000526 -0.006934 0.078056 -0.069278 35O 1s 0.000040 -0.000255 -0.000461 -0.000783 -0.000454 -0.002335 35O 2s -0.000719 -0.001067 -0.002198 -0.002953 -0.001948 -0.008993 35O 3s 0.030851 0.015649 0.038011 0.035408 0.035846 0.132355 35O 4s -0.117681 -0.039029 -0.100011 -0.059802 -0.118509 -0.342357 35O 5s -0.147682 0.026051 0.042044 0.166250 -0.120418 0.011190 35O 1pz -0.005364 -0.011611 0.012370 0.006707 0.016174 -0.003897 35O 1px 0.003671 -0.004667 0.014921 0.012864 0.017056 0.031161 35O 1py 0.016491 0.029917 0.001140 0.003892 -0.021542 0.011511 35O 2pz 0.020355 0.048671 -0.026313 -0.000367 -0.059581 0.014526 35O 2px -0.086617 0.020326 -0.068594 -0.012126 -0.106193 -0.178245 35O 2py -0.096059 -0.106762 -0.005274 0.016557 0.050728 -0.069873 35O 3pz 0.044504 -0.096332 -0.062302 -0.199230 -0.045926 -0.062027 35O 3px 0.015831 -0.065368 -0.049638 -0.090339 -0.084876 -0.047079 35O 3py -0.005589 -0.015465 -0.208058 -0.132599 0.045841 -0.065795 35O 1dz2 -0.035516 -0.250355 0.167327 0.011898 -0.319273 -0.064246 35O 1dxz -0.004167 -0.027492 0.096279 0.110906 -0.011474 0.008981 35O 1dyz -0.006460 0.150351 -0.108862 -0.022928 0.212003 -0.052112 35O 1dx2y2 -0.052371 -0.141168 0.020862 -0.050576 -0.075813 -0.018890 35O 1dxy -0.016962 -0.074933 0.072190 0.021949 -0.204002 -0.030349 35O 2dz2 0.050801 0.179482 -0.090779 -0.000304 0.222902 0.087260 35O 2dxz 0.024204 0.056541 -0.056272 -0.065282 -0.030296 -0.022271 35O 2dyz 0.006631 -0.090731 0.077267 0.017280 -0.156131 0.022824 35O 2dx2y2 0.038634 0.130488 -0.045749 0.006488 -0.001498 -0.030875 35O 2dxy -0.050145 -0.002235 -0.064370 -0.009945 0.153820 -0.048476 35O 1f0 -0.022945 -0.018670 -0.002319 0.010164 0.033947 0.033567 35O 1f+1 0.040921 0.074354 -0.015756 -0.000222 0.031097 0.056618 35O 1f-1 0.031382 0.052370 -0.007695 -0.014185 -0.022461 0.027892 35O 1f+2 0.049692 0.086583 -0.016872 -0.009346 -0.045920 -0.029637 35O 1f-2 0.010165 -0.015108 0.007223 -0.015173 -0.055099 -0.032676 35O 1f+3 -0.080246 -0.119205 0.011878 0.028275 0.094146 -0.014194 35O 1f-3 0.018130 -0.003629 0.047519 0.018544 -0.053822 0.078522 696 697 698 699 700 701 6.49781 6.50268 6.50813 6.51699 6.55004 6.56130 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s 0.000668 0.000258 0.000377 -0.001770 0.000139 0.000040 0Rh 2s -0.004333 -0.001711 -0.002546 0.011695 -0.000947 -0.000613 0Rh 3s 0.001519 0.000561 0.000796 -0.003897 0.000288 -0.000118 0Rh 4s 0.028563 0.011225 0.016692 -0.076932 0.006185 0.003766 0Rh 5s -0.081122 -0.031744 -0.047411 0.218620 -0.017350 -0.011265 0Rh 6s 0.100820 0.039143 0.059346 -0.272598 0.020272 0.017565 0Rh 7s -0.108864 -0.055873 -0.086136 0.323296 -0.024889 -0.022831 0Rh 8s -0.052910 -0.043798 -0.053446 0.265335 -0.001846 -0.073086 0Rh 1pz -0.001050 -0.003379 -0.001307 -0.006202 0.000033 -0.005443 0Rh 1px -0.003595 -0.004198 -0.003140 0.011820 -0.004197 -0.011562 0Rh 1py 0.005290 -0.003605 -0.001168 0.003154 0.000485 0.041996 0Rh 2pz 0.004498 0.014248 0.005542 0.025874 -0.000143 0.023000 0Rh 2px 0.014935 0.017570 0.013072 -0.049114 0.017690 0.048796 0Rh 2py -0.022317 0.015189 0.004901 -0.013196 -0.002049 -0.177343 0Rh 3pz -0.016920 -0.048440 -0.019268 -0.082446 0.000566 -0.079960 0Rh 3px -0.046170 -0.057293 -0.041118 0.152529 -0.060558 -0.168393 0Rh 3py 0.076199 -0.051726 -0.016110 0.042776 0.007102 0.614044 0Rh 4pz 0.028102 0.062532 0.023803 0.093452 -0.001036 0.116826 0Rh 4px 0.046456 0.070001 0.044917 -0.162535 0.085182 0.242108 0Rh 4py -0.100273 0.070754 0.018861 -0.050425 -0.010449 -0.888370 0Rh 5pz -0.022546 -0.002070 0.016762 -0.000790 0.000982 -0.085199 0Rh 5px 0.019813 -0.016600 0.002617 -0.000720 -0.053716 -0.168959 0Rh 5py 0.014289 -0.034871 0.004646 0.003265 0.008651 0.627037 0Rh 6pz -0.020194 -0.576575 -0.567268 -0.431161 -0.005377 0.035156 0Rh 6px -0.405239 -0.180392 -0.179793 0.299022 -0.012205 0.050475 0Rh 6py 0.762604 -0.139320 -0.195033 0.256889 -0.019160 -0.171626 0Rh 1dz2 -0.001107 -0.003491 -0.004263 0.002719 0.007499 0.000433 0Rh 1dxz -0.001616 0.002268 0.002237 0.009472 0.002485 -0.001028 0Rh 1dyz -0.000330 -0.002396 -0.002473 0.002778 -0.003827 -0.001201 0Rh 1dx2y2 0.007315 0.002887 0.003686 -0.013568 0.006708 -0.001548 0Rh 1dxy -0.002134 0.001275 0.002661 -0.009067 0.001110 0.005228 0Rh 2dz2 -0.000016 0.001745 0.000910 0.000317 -0.001224 -0.000120 0Rh 2dxz -0.000049 -0.001249 -0.001348 -0.001703 -0.000370 0.000155 0Rh 2dyz 0.000010 0.002314 -0.000304 -0.000852 0.000577 -0.000406 0Rh 2dx2y2 -0.001911 -0.000460 -0.000950 0.002304 -0.001133 -0.000291 0Rh 2dxy 0.001155 0.000113 -0.001350 0.002801 -0.000145 0.000091 0Rh 3dz2 0.006423 0.010714 0.019713 -0.017182 -0.036818 -0.001887 0Rh 3dxz 0.009516 -0.006447 -0.005784 -0.045346 -0.012443 0.005035 0Rh 3dyz 0.001876 0.001400 0.016022 -0.011446 0.018960 0.008980 0Rh 3dx2y2 -0.031880 -0.014098 -0.016044 0.065697 -0.032608 0.010451 0Rh 3dxy 0.006128 -0.007944 -0.008080 0.037409 -0.005622 -0.030324 0Rh 4dz2 -0.019014 -0.018693 -0.053646 0.050818 0.097284 0.004985 0Rh 4dxz -0.027769 0.011623 0.009742 0.120561 0.033499 -0.012381 0Rh 4dyz -0.005742 0.014046 -0.053323 0.027711 -0.049267 -0.026601 0Rh 4dx2y2 0.081137 0.038243 0.039423 -0.175729 0.084350 -0.030948 0Rh 4dxy -0.011205 0.025277 0.013596 -0.092806 0.014809 0.082476 0Rh 5dz2 0.065136 -0.040489 0.195805 -0.152873 -0.196932 -0.013815 0Rh 5dxz 0.082126 -0.008318 -0.011751 -0.311822 -0.070440 0.018451 0Rh 5dyz 0.018021 -0.239856 0.301923 -0.047097 0.089938 0.074855 0Rh 5dx2y2 -0.191578 -0.119567 -0.066679 0.446590 -0.156262 0.090307 0Rh 5dxy 0.024174 -0.131600 0.043656 0.207973 -0.029370 -0.189198 0Rh 1f0 -0.005271 -0.014762 0.000165 -0.003184 -0.001664 0.008972 0Rh 1f+1 -0.004931 -0.005520 -0.022085 -0.005116 0.002130 0.002650 0Rh 1f-1 0.000466 -0.010094 0.009238 0.002352 0.001139 0.007078 0Rh 1f+2 -0.005035 0.001803 0.013992 0.003717 0.002374 0.008082 0Rh 1f-2 0.008207 0.021862 -0.018418 0.004751 -0.000131 0.002840 0Rh 1f+3 -0.014045 -0.003708 0.001124 -0.001200 0.000442 0.001622 0Rh 1f-3 0.021175 -0.018098 0.002966 0.007628 0.000400 -0.005303 1Rh 1s -0.000633 -0.000223 -0.000353 0.001778 0.000135 0.000044 1Rh 2s 0.004116 0.001488 0.002388 -0.011746 -0.000923 -0.000630 1Rh 3s -0.001435 -0.000480 -0.000741 0.003916 0.000280 -0.000105 1Rh 4s -0.027128 -0.009756 -0.015651 0.077268 0.006026 0.003889 1Rh 5s 0.077124 0.027637 0.044490 -0.219563 -0.016898 -0.011609 1Rh 6s -0.096283 -0.034423 -0.055925 0.273712 0.019718 0.017939 1Rh 7s 0.102659 0.049975 0.080708 -0.325324 -0.024331 -0.021949 1Rh 8s 0.052665 0.043723 0.053713 -0.265453 -0.001213 -0.072632 1Rh 1pz -0.001256 -0.003724 -0.001484 -0.006456 0.000067 0.005453 1Rh 1px -0.002754 -0.003368 -0.002586 0.011919 0.004166 0.011654 1Rh 1py 0.005398 -0.003575 -0.001057 0.003211 -0.000426 -0.041949 1Rh 2pz 0.005367 0.015700 0.006290 0.026942 -0.000280 -0.023042 1Rh 2px 0.011395 0.014075 0.010739 -0.049531 -0.017563 -0.049182 1Rh 2py -0.022770 0.015064 0.004434 -0.013436 0.001799 0.177145 1Rh 3pz -0.019878 -0.053384 -0.021820 -0.086098 0.000866 0.080142 1Rh 3px -0.034149 -0.045383 -0.033186 0.153944 0.060151 0.169662 1Rh 3py 0.077743 -0.051319 -0.014495 0.043590 -0.006234 -0.613372 1Rh 4pz 0.032220 0.069436 0.027379 0.098608 -0.000887 -0.117192 1Rh 4px 0.029776 0.053331 0.033893 -0.164471 -0.084703 -0.243679 1Rh 4py -0.102427 0.070232 0.016523 -0.051556 0.009192 0.887423 1Rh 5pz -0.025052 -0.006372 0.014542 -0.004127 -0.000136 0.085596 1Rh 5px 0.029847 -0.006172 0.009260 0.000318 0.053548 0.169329 1Rh 5py 0.015594 -0.034672 0.006316 0.003965 -0.007775 -0.626328 1Rh 6pz -0.018350 -0.578253 -0.569049 -0.437496 0.010605 -0.034282 1Rh 6px -0.398955 -0.177950 -0.175746 0.298549 0.013244 -0.043968 1Rh 6py 0.763038 -0.134987 -0.197534 0.258707 0.018491 0.169252 1Rh 1dz2 0.000892 0.003330 0.004154 -0.002669 0.007461 0.000358 1Rh 1dxz 0.001394 -0.002469 -0.002407 -0.009553 0.002557 -0.001037 1Rh 1dyz 0.000120 0.002328 0.002453 -0.002699 -0.003795 -0.001260 1Rh 1dx2y2 -0.007042 -0.002578 -0.003476 0.013615 0.006693 -0.001522 1Rh 1dxy 0.002213 -0.001134 -0.002606 0.009128 0.001098 0.005181 1Rh 2dz2 0.000077 -0.001703 -0.000877 -0.000350 -0.001202 -0.000088 1Rh 2dxz 0.000090 0.001295 0.001390 0.001750 -0.000397 0.000150 1Rh 2dyz 0.000073 -0.002295 0.000303 0.000808 0.000566 -0.000370 1Rh 2dx2y2 0.001856 0.000394 0.000909 -0.002297 -0.001133 -0.000289 1Rh 2dxy -0.001167 -0.000148 0.001333 -0.002823 -0.000141 0.000119 1Rh 3dz2 -0.005521 -0.010020 -0.019263 0.017060 -0.036715 -0.001619 1Rh 3dxz -0.008474 0.007338 0.006532 0.045569 -0.012709 0.005113 1Rh 3dyz -0.001107 -0.001112 -0.015905 0.011224 0.018828 0.009131 1Rh 3dx2y2 0.030631 0.012700 0.015075 -0.065993 -0.032522 0.010284 1Rh 3dxy -0.006504 0.007331 0.007856 -0.037644 -0.005572 -0.030205 1Rh 4dz2 0.016889 0.017091 0.052625 -0.050604 0.097112 0.004384 1Rh 4dxz 0.025246 -0.013707 -0.011511 -0.120948 0.034121 -0.012634 1Rh 4dyz 0.003969 -0.014727 0.053012 -0.027287 -0.048931 -0.026815 1Rh 4dx2y2 -0.078186 -0.034935 -0.037113 0.176533 0.084104 -0.030441 1Rh 4dxy 0.012065 -0.023853 -0.013121 0.093345 0.014689 0.082290 1Rh 5dz2 -0.062150 0.042430 -0.194523 0.152908 -0.196936 -0.013235 1Rh 5dxz -0.078333 0.010904 0.014235 0.311659 -0.071672 0.019295 1Rh 5dyz -0.015284 0.240796 -0.301289 0.046843 0.089261 0.073596 1Rh 5dx2y2 0.187719 0.115189 0.063666 -0.448116 -0.155530 0.088581 1Rh 5dxy -0.025044 0.129821 -0.043871 -0.208627 -0.029096 -0.189663 1Rh 1f0 -0.005056 -0.014536 0.000357 -0.003116 0.001697 -0.008921 1Rh 1f+1 -0.005145 -0.005690 -0.022182 -0.005185 -0.002052 -0.002687 1Rh 1f-1 0.000459 -0.010145 0.009213 0.002271 -0.001091 -0.006987 1Rh 1f+2 -0.005344 0.001484 0.013803 0.003714 -0.002442 -0.008094 1Rh 1f-2 0.008123 0.021750 -0.018458 0.004738 0.000106 -0.002996 1Rh 1f+3 -0.014416 -0.004046 0.000875 -0.001300 -0.000413 -0.001577 1Rh 1f-3 0.021004 -0.018203 0.002806 0.007583 -0.000382 0.005338 2C 1s 0.000333 0.000290 -0.000880 -0.000336 -0.000122 0.000185 2C 2s 0.001160 -0.000662 -0.002902 -0.000417 -0.000048 0.000495 2C 3s -0.018552 0.017836 0.058240 -0.019300 -0.001628 -0.012976 2C 4s 0.138845 -0.151066 -0.295974 0.098411 -0.000772 0.047246 2C 5s -0.062595 0.000760 0.623176 0.023912 -0.102307 -0.214807 2C 1pz 0.003039 0.008856 0.012691 0.003075 -0.007464 0.000199 2C 1px 0.005745 0.008453 -0.003309 0.001664 -0.005722 0.005939 2C 1py -0.021135 0.001188 0.000991 -0.006426 0.013108 -0.000993 2C 2pz 0.031404 -0.057294 -0.183275 -0.001144 0.037509 0.004063 2C 2px -0.041334 -0.081848 0.052482 -0.022037 0.042599 -0.047836 2C 2py 0.189684 -0.023787 -0.047668 0.065431 -0.107100 0.013568 2C 3pz 0.009202 0.016231 0.075588 0.001274 -0.037529 -0.009491 2C 3px -0.025766 -0.003902 0.082172 0.064640 -0.018454 -0.027268 2C 3py -0.026680 -0.020318 0.050245 0.004779 0.020926 -0.036194 2C 1dz2 0.011034 0.011256 -0.001997 0.010675 -0.009303 0.005410 2C 1dxz 0.014932 0.000229 0.015222 -0.001790 -0.009008 -0.008163 2C 1dyz -0.010113 0.003927 0.000044 -0.000605 0.003793 -0.000394 2C 1dx2y2 0.013188 0.001162 0.002260 0.002305 -0.007306 0.000100 2C 1dxy -0.001927 -0.003697 0.007620 -0.005059 0.004038 -0.004900 2C 2dz2 -0.026343 -0.000958 -0.084609 -0.012675 0.031826 0.026622 2C 2dxz 0.030722 -0.059792 0.039017 0.006008 -0.000667 -0.040555 2C 2dyz 0.055805 -0.003232 -0.051066 0.014526 -0.022571 0.012671 2C 2dx2y2 -0.057233 -0.001323 0.021788 -0.003139 0.029087 0.007312 2C 2dxy -0.026822 -0.041750 0.029393 -0.017637 0.020760 -0.048758 2C 1f0 -0.007079 0.015804 -0.027244 0.007875 0.001597 0.021921 2C 1f+1 0.005940 -0.012197 0.015630 -0.006077 0.002401 -0.013672 2C 1f-1 0.001094 0.002599 -0.019209 0.002359 0.001628 0.007956 2C 1f+2 0.002496 -0.009933 0.020239 -0.006212 0.000060 -0.012293 2C 1f-2 -0.000003 -0.024489 0.023431 -0.000385 0.001942 -0.021479 2C 1f+3 0.012021 -0.009326 0.015728 -0.000179 -0.005005 -0.012421 2C 1f-3 -0.009884 0.001703 -0.007400 -0.002825 0.001901 0.005016 3C 1s -0.000400 -0.000626 0.000326 -0.000196 0.000016 -0.000444 3C 2s -0.002248 -0.001583 0.000344 -0.001020 0.000271 -0.000712 3C 3s 0.032838 0.031984 0.000354 0.025695 -0.014781 0.011196 3C 4s -0.200297 -0.170797 -0.053091 -0.163744 0.095817 -0.019171 3C 5s 0.396400 0.278900 -0.271623 0.132336 0.024693 0.257062 3C 1pz -0.002708 0.017288 0.012253 0.005914 -0.014931 0.002904 3C 1px 0.002054 -0.001563 0.009727 0.003901 -0.003947 -0.015551 3C 1py -0.014056 0.001981 0.004546 -0.004391 -0.006469 -0.001069 3C 2pz 0.010599 -0.179261 -0.101284 -0.075025 0.148991 -0.016516 3C 2px -0.013548 0.032077 -0.104534 -0.077840 0.046658 0.146574 3C 2py 0.112154 0.058683 -0.035556 0.083059 -0.005861 0.016276 3C 3pz -0.005515 0.019946 0.003298 -0.019591 -0.030632 0.018520 3C 3px 0.029467 0.049333 -0.054561 0.064410 -0.004334 0.027039 3C 3py -0.081672 -0.023103 0.043301 -0.016152 -0.025404 -0.036586 3C 1dz2 -0.007518 0.005747 0.010086 0.006222 -0.006796 -0.007067 3C 1dxz -0.000431 0.010527 0.003270 -0.003756 -0.005093 0.010923 3C 1dyz -0.001463 -0.003700 -0.013112 -0.006472 0.005700 0.010321 3C 1dx2y2 -0.011972 0.014998 0.005309 -0.003765 -0.012112 0.010324 3C 1dxy -0.007739 -0.005330 0.008851 0.010054 -0.005512 -0.017466 3C 2dz2 0.034471 -0.063238 -0.029468 -0.003350 0.044651 -0.031557 3C 2dxz -0.015057 -0.008444 -0.041530 -0.020093 0.025171 0.048937 3C 2dyz 0.013904 0.056208 -0.024797 0.024917 -0.023428 0.049241 3C 2dx2y2 0.027465 0.052791 -0.023534 0.024209 -0.005542 0.049544 3C 2dxy 0.017053 -0.014103 0.075865 0.038864 -0.027127 -0.110433 3C 1f0 -0.000291 0.003161 0.008739 0.009084 -0.006094 -0.008534 3C 1f+1 -0.001254 0.003912 0.009693 0.001022 -0.002831 -0.010221 3C 1f-1 -0.001626 0.014271 -0.009962 -0.005850 -0.002033 0.023793 3C 1f+2 0.007725 0.017502 -0.024265 -0.010361 0.002431 0.043419 3C 1f-2 0.002803 -0.006908 0.007690 0.009925 -0.001653 -0.022688 3C 1f+3 -0.006611 0.018643 -0.017311 -0.010059 0.000206 0.042716 3C 1f-3 -0.002133 0.027301 -0.025321 -0.008670 0.001803 0.055302 4C 1s -0.008366 0.012959 0.013603 0.002393 -0.001197 -0.000013 4C 2s -0.011218 0.017555 0.018762 0.003095 -0.001919 0.000273 4C 3s -0.030236 0.031772 0.023392 0.032430 0.002562 -0.006618 4C 4s 0.463347 -0.695824 -0.643675 -0.228335 0.052327 0.016090 4C 5s 0.251626 -0.312861 -0.643028 -0.115823 0.034026 0.176689 4C 1pz 0.000434 -0.016811 -0.016802 -0.000971 0.008032 0.005183 4C 1px 0.011907 0.000627 -0.001299 -0.021972 0.005400 -0.021347 4C 1py 0.006290 -0.009282 -0.011376 -0.009032 -0.003551 -0.004395 4C 2pz 0.270187 -0.245853 -0.448279 0.140526 0.014704 0.063946 4C 2px 0.203729 -0.130662 0.164060 -0.452695 0.000040 -0.131359 4C 2py 0.118536 -0.227699 -0.227321 -0.110362 -0.011179 -0.016406 4C 3pz -0.024964 -0.176503 0.179463 0.045215 -0.036051 -0.076252 4C 3px 0.015962 0.271246 -0.289801 -0.224920 0.005242 0.078193 4C 3py 0.117221 0.042791 0.033227 0.003336 -0.109342 -0.005535 4C 1dz2 -0.000500 0.049637 0.046656 0.040063 -0.013565 0.007810 4C 1dxz -0.009094 0.059386 0.079107 -0.017236 -0.011067 -0.014725 4C 1dyz -0.009639 -0.008776 -0.005390 -0.008706 0.004522 -0.003595 4C 1dx2y2 0.089397 -0.087201 -0.099391 -0.021657 0.004010 0.001016 4C 1dxy 0.027206 -0.051236 -0.040289 -0.022078 0.004751 -0.010179 4C 2dz2 -0.191095 0.130291 -0.029195 0.044520 0.117819 0.046358 4C 2dxz -0.104650 -0.021594 0.307607 -0.120448 0.060758 -0.097859 4C 2dyz 0.020349 0.051959 0.051920 -0.003821 -0.057336 0.013906 4C 2dx2y2 0.072857 -0.193173 -0.181398 -0.077059 0.083769 0.005751 4C 2dxy 0.061523 -0.153610 0.083561 -0.094224 0.004012 -0.084604 4C 1f0 -0.056900 -0.003958 0.064383 -0.013093 0.035294 -0.041155 4C 1f+1 -0.109507 0.070749 0.027730 0.000038 0.029999 0.032562 4C 1f-1 -0.004669 0.035453 0.024096 0.010185 -0.000694 -0.000570 4C 1f+2 0.042428 -0.032353 -0.104023 0.010144 0.019422 0.035052 4C 1f-2 0.040964 0.032574 -0.010612 0.027505 -0.019174 0.024888 4C 1f+3 -0.095195 0.004006 -0.072651 0.022302 0.027244 0.027481 4C 1f-3 0.034700 0.099600 0.047935 0.064440 -0.044799 0.012782 5C 1s 0.017922 0.005765 0.003765 0.007103 -0.001047 -0.000402 5C 2s 0.024222 0.007818 0.004993 0.010018 -0.001935 -0.000880 5C 3s 0.065775 0.010695 0.008273 -0.003227 0.028940 0.019991 5C 4s -1.027086 -0.251434 -0.197615 -0.291848 -0.080148 -0.057580 5C 5s -0.620537 -0.267359 0.037189 -0.267996 0.011139 -0.102076 5C 1pz -0.016154 -0.001265 -0.002573 0.001647 0.004281 -0.016369 5C 1px -0.004257 -0.001007 0.004361 -0.019052 0.002962 0.051220 5C 1py 0.025599 0.002432 -0.000584 0.002316 0.008822 0.010487 5C 2pz -0.320751 -0.147234 -0.001589 0.037324 0.056117 -0.111565 5C 2px -0.023397 0.149012 -0.076931 -0.570075 0.038582 0.334586 5C 2py 0.407322 0.285263 0.132855 0.135608 -0.064951 0.055642 5C 3pz 0.055332 0.045305 -0.251199 0.043914 0.080858 0.095595 5C 3px 0.074787 -0.255162 0.284574 -0.165810 0.017411 -0.146855 5C 3py 0.004533 -0.123462 0.131661 -0.028093 0.005758 -0.095609 5C 1dz2 0.055127 0.039585 0.033154 0.048853 -0.011474 -0.013451 5C 1dxz 0.092238 0.049365 0.026080 0.010995 -0.006329 0.019610 5C 1dyz 0.051402 0.003317 -0.002798 0.000033 0.005001 0.013698 5C 1dx2y2 -0.132546 -0.017941 -0.006759 -0.062356 -0.000889 0.016342 5C 1dxy -0.047867 -0.019554 -0.002639 0.002586 -0.002631 -0.029184 5C 2dz2 0.137149 -0.092372 0.011482 0.086475 0.112950 -0.078719 5C 2dxz 0.197387 0.118212 -0.053140 -0.026961 0.044692 0.109799 5C 2dyz 0.021253 0.109818 -0.026955 -0.080982 -0.036961 0.124241 5C 2dx2y2 -0.179808 -0.056033 -0.192236 -0.218178 0.120328 0.148597 5C 2dxy -0.102202 -0.210725 0.094068 0.085513 0.020382 -0.221871 5C 1f0 0.038417 0.007487 -0.046936 -0.016386 0.019932 0.053022 5C 1f+1 0.101726 -0.059906 -0.029489 0.021272 0.041935 -0.032925 5C 1f-1 0.001245 -0.010770 0.002048 -0.007277 -0.022848 -0.029070 5C 1f+2 -0.056673 0.003385 0.075837 0.034527 -0.028133 -0.095995 5C 1f-2 -0.091426 -0.041142 -0.016125 -0.003613 -0.009592 0.010332 5C 1f+3 0.071764 -0.021588 0.057506 0.087610 -0.007214 -0.102681 5C 1f-3 -0.063479 -0.115489 -0.046536 -0.016301 0.043135 -0.084702 6C 1s -0.018270 -0.006022 -0.003952 -0.007092 -0.000981 -0.000377 6C 2s -0.024814 -0.008251 -0.005315 -0.009967 -0.001843 -0.000861 6C 3s -0.062893 -0.007808 -0.005831 0.003003 0.028911 0.019807 6C 4s 1.033102 0.251120 0.196993 0.290810 -0.082784 -0.056487 6C 5s 0.625852 0.278025 -0.035912 0.272753 0.009433 -0.109049 6C 1pz -0.016408 -0.001519 -0.002764 0.001805 -0.004350 0.016323 6C 1px -0.004990 -0.001014 0.004402 -0.018751 -0.002784 -0.051352 6C 1py 0.026203 0.002797 -0.000311 0.001939 -0.008735 -0.010365 6C 2pz -0.324857 -0.150851 -0.004389 0.035753 -0.054216 0.115040 6C 2px -0.025939 0.143133 -0.079390 -0.572910 -0.037685 -0.338100 6C 2py 0.414503 0.292350 0.137606 0.139576 0.061851 -0.059405 6C 3pz 0.059842 0.052321 -0.248866 0.043049 -0.079937 -0.096851 6C 3px 0.078274 -0.253152 0.286288 -0.170492 -0.017188 0.147741 6C 3py -0.003790 -0.134345 0.127882 -0.026216 -0.006730 0.096812 6C 1dz2 -0.056483 -0.040671 -0.033801 -0.048931 -0.011117 -0.013472 6C 1dxz -0.093905 -0.050541 -0.026945 -0.010877 -0.006074 0.019934 6C 1dyz -0.051957 -0.003591 0.002385 0.000151 0.005097 0.013860 6C 1dx2y2 0.135015 0.019963 0.007946 0.062237 -0.001300 0.016286 6C 1dxy 0.048608 0.019899 0.003148 -0.002929 -0.002800 -0.029755 6C 2dz2 -0.137680 0.092463 -0.011519 -0.086094 0.113016 -0.079174 6C 2dxz -0.198873 -0.118841 0.052757 0.025349 0.045522 0.111229 6C 2dyz -0.020539 -0.108284 0.028375 0.081434 -0.037155 0.124229 6C 2dx2y2 0.181798 0.058343 0.193888 0.220154 0.118448 0.148007 6C 2dxy 0.102680 0.211343 -0.093286 -0.082901 0.019405 -0.224319 6C 1f0 0.038573 0.007628 -0.046722 -0.016201 -0.019976 -0.053539 6C 1f+1 0.102365 -0.059286 -0.029392 0.021046 -0.041890 0.032950 6C 1f-1 0.001368 -0.010773 0.002084 -0.007509 0.022815 0.028946 6C 1f+2 -0.056346 0.003494 0.075977 0.034353 0.027983 0.096271 6C 1f-2 -0.092298 -0.041410 -0.016368 -0.003426 0.009857 -0.009805 6C 1f+3 0.072681 -0.021198 0.057853 0.087305 0.006721 0.102792 6C 1f-3 -0.063890 -0.116207 -0.046965 -0.017299 -0.042798 0.084768 7C 1s 0.008176 -0.013223 -0.013789 -0.002509 -0.001157 -0.000029 7C 2s 0.010901 -0.017995 -0.019058 -0.003312 -0.001877 0.000236 7C 3s 0.035153 -0.028173 -0.021714 -0.031021 0.004204 -0.006361 7C 4s -0.477321 0.692899 0.644668 0.228652 0.043077 0.015742 7C 5s -0.245910 0.315389 0.652055 0.115656 0.030944 0.179109 7C 1pz 0.001297 -0.016722 -0.016763 -0.001335 -0.007730 -0.005188 7C 1px 0.011666 0.000517 -0.001463 -0.021902 -0.005406 0.021045 7C 1py 0.006684 -0.009353 -0.011492 -0.009241 0.003693 0.004231 7C 2pz 0.253135 -0.257003 -0.455923 0.139284 -0.015767 -0.064560 7C 2px 0.202748 -0.129115 0.164077 -0.454018 0.001637 0.133518 7C 2py 0.109541 -0.235175 -0.233426 -0.111484 0.011037 0.016757 7C 3pz -0.023980 -0.175561 0.184780 0.051915 0.035647 0.078593 7C 3px 0.017813 0.272107 -0.290622 -0.226817 -0.004144 -0.078958 7C 3py 0.118466 0.043156 0.036066 0.006772 0.109234 0.005888 7C 1dz2 0.000347 -0.050506 -0.047382 -0.040575 -0.013250 0.007800 7C 1dxz 0.008523 -0.060570 -0.079870 0.016750 -0.010715 -0.014861 7C 1dyz 0.009420 0.009038 0.005360 0.008647 0.004455 -0.003713 7C 1dx2y2 -0.088460 0.088880 0.100648 0.022431 0.003400 0.001175 7C 1dxy -0.026745 0.051597 0.041034 0.022539 0.004551 -0.010009 7C 2dz2 0.186623 -0.132121 0.027680 -0.043447 0.117950 0.047025 7C 2dxz 0.100671 0.018279 -0.309671 0.119633 0.060248 -0.099052 7C 2dyz -0.025939 -0.055233 -0.053792 0.003949 -0.057441 0.014486 7C 2dx2y2 -0.069484 0.196022 0.183912 0.077001 0.082843 0.005237 7C 2dxy -0.062480 0.152273 -0.084220 0.093438 0.003186 -0.085709 7C 1f0 -0.057122 -0.003339 0.064308 -0.012828 -0.035464 0.041051 7C 1f+1 -0.108707 0.070765 0.028240 -0.000495 -0.030368 -0.032298 7C 1f-1 -0.005296 0.035041 0.024151 0.010278 0.000334 0.000497 7C 1f+2 0.042528 -0.033148 -0.104369 0.009843 -0.018955 -0.035070 7C 1f-2 0.040635 0.032846 -0.010605 0.027200 0.018990 -0.024914 7C 1f+3 -0.095189 0.003620 -0.073342 0.021903 -0.027425 -0.027767 7C 1f-3 0.034497 0.100397 0.048643 0.064686 0.044278 -0.013191 8C 1s 0.000390 0.000624 -0.000351 0.000196 0.000015 -0.000454 8C 2s 0.002267 0.001627 -0.000350 0.001033 0.000260 -0.000745 8C 3s -0.033956 -0.033907 -0.001395 -0.026493 -0.014385 0.012504 8C 4s 0.206222 0.180174 0.059242 0.168953 0.093168 -0.025284 8C 5s -0.409069 -0.301356 0.267545 -0.132434 0.024141 0.266712 8C 1pz -0.002637 0.017385 0.012333 0.006074 0.014812 -0.002930 8C 1px 0.002149 -0.001475 0.009783 0.003886 0.003896 0.015523 8C 1py -0.014213 0.001820 0.004379 -0.004474 0.006508 0.001154 8C 2pz 0.009023 -0.181585 -0.102753 -0.078044 -0.147056 0.017636 8C 2px -0.014883 0.030194 -0.105367 -0.078291 -0.045717 -0.145436 8C 2py 0.114903 0.063110 -0.032341 0.086446 0.004536 -0.018686 8C 3pz -0.003886 0.021979 0.003533 -0.019850 0.030828 -0.018703 8C 3px 0.031398 0.051455 -0.053947 0.065529 0.004359 -0.027504 8C 3py -0.083842 -0.026906 0.042268 -0.015606 0.025270 0.037710 8C 1dz2 0.007476 -0.005776 -0.010136 -0.006252 -0.006720 -0.007050 8C 1dxz 0.000569 -0.010572 -0.003302 0.003668 -0.005205 0.010878 8C 1dyz 0.001460 0.003517 0.013024 0.006328 0.005625 0.010436 8C 1dx2y2 0.011906 -0.015095 -0.005336 0.003579 -0.011984 0.010361 8C 1dxy 0.007628 0.005226 -0.008982 -0.010039 -0.005506 -0.017487 8C 2dz2 -0.034729 0.063025 0.029253 0.003650 0.044424 -0.031446 8C 2dxz 0.015924 0.008407 0.041362 0.020097 0.024469 0.048730 8C 2dyz -0.014481 -0.058199 0.023621 -0.026268 -0.023268 0.050301 8C 2dx2y2 -0.028065 -0.053452 0.023422 -0.025474 -0.004766 0.050119 8C 2dxy -0.017813 0.012898 -0.076689 -0.039109 -0.026753 -0.110191 8C 1f0 -0.000127 0.003348 0.008893 0.009213 0.005991 0.008660 8C 1f+1 -0.001151 0.003766 0.009666 0.000921 0.002695 0.010286 8C 1f-1 -0.001727 0.014350 -0.010042 -0.005695 0.002059 -0.023913 8C 1f+2 0.007834 0.017883 -0.024070 -0.010098 -0.002417 -0.043726 8C 1f-2 0.003121 -0.006577 0.007971 0.009824 0.001614 0.022436 8C 1f+3 -0.006909 0.018287 -0.017366 -0.009889 -0.000148 -0.042453 8C 1f-3 -0.002322 0.027490 -0.025310 -0.008251 -0.001769 -0.055560 9C 1s -0.000349 -0.000320 0.000887 0.000340 -0.000120 0.000194 9C 2s -0.001126 0.000665 0.002948 0.000429 -0.000041 0.000511 9C 3s 0.014750 -0.020041 -0.060054 0.019280 -0.002024 -0.013280 9C 4s -0.116254 0.164562 0.305370 -0.098602 0.001689 0.047899 9C 5s 0.054845 -0.002573 -0.637836 -0.030211 -0.101322 -0.220574 9C 1pz 0.003612 0.009234 0.012871 0.003167 0.007521 -0.000256 9C 1px 0.005812 0.008433 -0.003301 0.001618 0.005675 -0.006034 9C 1py -0.020680 0.001443 0.001174 -0.006435 -0.012976 0.001054 9C 2pz 0.017843 -0.065509 -0.187923 -0.002262 -0.039708 -0.003433 9C 2px -0.042936 -0.081953 0.051885 -0.021675 -0.042087 0.049113 9C 2py 0.178976 -0.028411 -0.051946 0.065183 0.104520 -0.014108 9C 3pz 0.010631 0.015831 0.076960 0.002373 0.037619 0.010062 9C 3px -0.025885 -0.003385 0.083109 0.065485 0.017765 0.026276 9C 3py -0.026617 -0.019058 0.053178 0.006215 -0.020541 0.037248 9C 1dz2 -0.010659 -0.011031 0.002137 -0.010601 -0.009116 0.005461 9C 1dxz -0.014628 -0.000150 -0.015130 0.001713 -0.008888 -0.008143 9C 1dyz 0.010392 -0.003741 0.000092 0.000554 0.003717 -0.000420 9C 1dx2y2 -0.013526 -0.001313 -0.002309 -0.002418 -0.007514 0.000133 9C 1dxy 0.001968 0.003746 -0.007691 0.005010 0.004004 -0.004917 9C 2dz2 0.030139 0.002787 0.085675 0.013679 0.032565 0.026476 9C 2dxz -0.028065 0.060416 -0.038504 -0.006512 0.000092 -0.040382 9C 2dyz -0.052108 0.005383 0.053040 -0.014398 -0.022298 0.012776 9C 2dx2y2 0.054251 -0.000291 -0.022746 0.002495 0.027918 0.007636 9C 2dxy 0.027464 0.042367 -0.029347 0.017022 0.020577 -0.048902 9C 1f0 -0.007106 0.015657 -0.027082 0.007636 -0.001544 -0.021859 9C 1f+1 0.005799 -0.012085 0.015436 -0.005799 -0.002271 0.013467 9C 1f-1 0.000313 0.002147 -0.019688 0.002181 -0.001717 -0.008076 9C 1f+2 0.002574 -0.009529 0.020413 -0.006296 -0.000220 0.012330 9C 1f-2 -0.000386 -0.024674 0.023393 -0.000160 -0.001927 0.021530 9C 1f+3 0.011793 -0.009397 0.015878 -0.000010 0.004891 0.012596 9C 1f-3 -0.009518 0.001878 -0.007508 -0.002978 -0.001637 -0.004952 10H 1s 0.013405 -0.012705 0.020655 -0.000008 -0.004790 -0.013510 10H 2s 0.045331 0.020789 -0.039110 -0.014677 -0.020603 -0.008038 10H 3s 0.017940 -0.025939 -0.094573 -0.018485 0.017578 0.043762 10H 1pz 0.008623 0.010187 -0.005475 -0.004622 -0.005059 -0.000375 10H 1px -0.011899 -0.002329 -0.003467 0.003368 0.006246 0.007426 10H 1py 0.004519 0.005193 -0.004916 -0.000340 -0.003551 0.004336 11H 1s -0.010080 -0.007373 0.005751 -0.007121 0.010392 -0.005794 11H 2s -0.072343 0.030916 -0.040332 -0.048572 0.034812 -0.005457 11H 3s 0.015559 0.021089 -0.052982 0.024473 -0.018289 0.041076 11H 1pz -0.027607 0.001819 -0.006942 -0.015432 0.014762 -0.004697 11H 1px -0.015071 0.002663 -0.003896 -0.008943 0.009487 0.000047 11H 1py -0.004304 -0.003839 0.003132 0.003457 0.001654 0.000833 12H 1s 0.013069 0.000231 0.007509 0.007042 -0.009740 0.003894 12H 2s 0.041438 0.041808 -0.016001 0.006946 -0.030765 0.030034 12H 3s -0.012907 0.000380 -0.077337 0.008812 0.026223 0.003768 12H 1pz 0.007011 0.002455 0.005855 0.000252 -0.003418 -0.003206 12H 1px 0.003309 0.005209 0.002641 0.000562 -0.005077 0.002296 12H 1py 0.021486 0.011592 0.003263 0.004825 -0.015391 0.005380 13H 1s 0.002939 0.004670 -0.024238 -0.004804 0.006689 0.024120 13H 2s -0.003450 -0.055290 0.000244 -0.011007 0.028384 -0.007840 13H 3s -0.073617 -0.030140 0.030466 -0.045302 -0.012302 -0.020223 13H 1pz 0.005126 -0.012937 -0.003220 -0.005099 0.008850 0.002093 13H 1px -0.002348 0.003282 0.006785 0.001485 -0.005899 -0.008850 13H 1py -0.004772 0.010962 -0.003774 0.000577 -0.003833 0.008654 14H 1s 0.010052 -0.009491 -0.013171 -0.004577 0.009673 0.001278 14H 2s 0.025284 -0.042691 -0.012230 -0.023436 0.034294 -0.002705 14H 3s -0.054526 -0.030540 0.040482 0.000688 -0.020756 -0.041332 14H 1pz 0.007744 -0.012024 -0.011287 -0.003462 0.011087 0.001922 14H 1px 0.012382 -0.009733 -0.008359 -0.004911 0.012351 0.002390 14H 1py -0.003215 0.000617 0.005745 -0.001395 -0.002495 -0.007107 15H 1s -0.003454 0.012700 0.001841 0.002096 -0.010985 0.004716 15H 2s -0.016809 0.031871 0.097553 0.012350 -0.042391 -0.036927 15H 3s -0.006519 -0.043992 0.012599 0.003263 0.025035 -0.027197 15H 1pz -0.000212 0.001297 -0.005895 0.000149 0.001401 0.004306 15H 1px -0.001699 0.008135 0.007721 0.001993 -0.007402 0.000307 15H 1py 0.008724 -0.018830 -0.029728 -0.005477 0.019544 0.005712 16H 1s -0.009856 -0.031707 -0.044524 0.110971 0.008915 -0.022011 16H 2s -0.069052 0.017497 -0.003522 0.336695 0.021236 -0.016224 16H 3s 0.033156 0.010853 0.004676 -0.099259 -0.000032 0.013893 16H 1pz -0.005654 -0.013940 -0.028549 0.168195 0.020468 -0.025244 16H 1px 0.037182 -0.054206 -0.062480 -0.004133 0.005735 -0.019742 16H 1py -0.073225 -0.042048 -0.048823 0.125534 -0.010987 0.003753 17H 1s -0.006771 -0.024155 -0.028868 0.117258 0.014891 -0.017331 17H 2s -0.117332 -0.097739 -0.118526 0.267398 0.033326 0.012758 17H 3s 0.041760 0.012279 0.027248 -0.092216 0.000628 0.041568 17H 1pz -0.036892 0.021103 0.033133 -0.115525 -0.024306 0.036054 17H 1px 0.062760 0.050039 0.053091 -0.053388 -0.016278 -0.028176 17H 1py -0.054390 -0.007569 -0.014633 0.174675 -0.003936 -0.012873 18H 1s 0.004847 0.022243 0.028257 -0.118104 0.015701 -0.017861 18H 2s 0.109859 0.092437 0.115203 -0.270189 0.034444 0.009357 18H 3s -0.040351 -0.011736 -0.026645 0.092196 0.000019 0.040979 18H 1pz -0.037558 0.018104 0.031739 -0.120919 0.025014 -0.036673 18H 1px 0.060966 0.049441 0.053103 -0.055132 0.016151 0.026743 18H 1py -0.052180 -0.004085 -0.011731 0.172384 0.003453 0.012524 19H 1s 0.008308 0.029629 0.043479 -0.111184 0.008111 -0.021291 19H 2s 0.065197 -0.024079 -0.001334 -0.337832 0.020651 -0.016678 19H 3s -0.032656 -0.009909 -0.004225 0.099877 0.000306 0.015342 19H 1pz -0.001420 -0.009548 -0.025419 0.166010 -0.020029 0.025277 19H 1px 0.039421 -0.052839 -0.061765 -0.005422 -0.005150 0.020702 19H 1py -0.070330 -0.040831 -0.048800 0.129590 0.011033 -0.002644 20H 1s 0.003472 -0.012906 -0.001798 -0.002209 -0.010904 0.004848 20H 2s 0.016403 -0.030818 -0.097781 -0.012250 -0.041616 -0.037681 20H 3s 0.007534 0.045795 -0.012844 -0.003288 0.024961 -0.028263 20H 1pz -0.000210 0.001416 -0.005927 0.000198 -0.001384 -0.004445 20H 1px -0.001641 0.008184 0.007903 0.002046 0.007416 -0.000257 20H 1py 0.008490 -0.018787 -0.029792 -0.005538 -0.019246 -0.005713 21H 1s -0.010165 0.009149 0.013272 0.004724 0.009618 0.001659 21H 2s -0.025742 0.043609 0.011418 0.024035 0.033929 -0.003320 21H 3s 0.054761 0.032281 -0.040364 -0.000855 -0.020765 -0.042806 21H 1pz 0.007977 -0.012130 -0.011138 -0.003648 -0.011066 -0.001930 21H 1px 0.012478 -0.009756 -0.008132 -0.005044 -0.012229 -0.002392 21H 1py -0.003274 0.000700 0.005684 -0.001506 0.002550 0.006999 22H 1s -0.002848 -0.005168 0.024176 0.004724 0.006502 0.024515 22H 2s 0.003720 0.055415 -0.000957 0.011725 0.027763 -0.007718 22H 3s 0.074951 0.032606 -0.029946 0.045818 -0.012182 -0.021977 22H 1pz 0.005102 -0.012688 -0.002932 -0.005203 -0.008580 -0.002140 22H 1px -0.002316 0.003219 0.006750 0.001558 0.005825 0.009066 22H 1py -0.004777 0.010878 -0.003931 0.000706 0.003768 -0.008574 23H 1s -0.012900 -0.000076 -0.007858 -0.006966 -0.009705 0.003728 23H 2s -0.041023 -0.043803 0.016874 -0.006683 -0.030388 0.030598 23H 3s 0.014126 -0.000835 0.077988 -0.008670 0.026142 0.004577 23H 1pz 0.007378 0.002675 0.005903 0.000396 0.003538 0.003148 23H 1px 0.003255 0.005298 0.002579 0.000471 0.004972 -0.002177 23H 1py 0.021483 0.012226 0.003135 0.004759 0.015311 -0.005540 24H 1s 0.009995 0.007433 -0.005896 0.007244 0.010231 -0.006035 24H 2s 0.070100 -0.031598 0.040722 0.048808 0.033829 -0.005871 24H 3s -0.014343 -0.020658 0.055005 -0.024157 -0.017741 0.042628 24H 1pz -0.026855 0.002024 -0.006795 -0.015344 -0.014427 0.004811 24H 1px -0.014757 0.002928 -0.003885 -0.009178 -0.009368 0.000195 24H 1py -0.004405 -0.003670 0.003170 0.003402 -0.001732 -0.000849 25H 1s -0.012726 0.013026 -0.020815 -0.000031 -0.004432 -0.013622 25H 2s -0.043164 -0.020247 0.040113 0.015255 -0.019082 -0.007407 25H 3s -0.017657 0.026292 0.096374 0.018753 0.016473 0.043626 25H 1pz 0.008389 0.010140 -0.005575 -0.004907 0.004741 0.000386 25H 1px -0.011204 -0.002151 -0.003370 0.003413 -0.005777 -0.007302 25H 1py 0.004134 0.005217 -0.004975 -0.000404 0.003281 -0.004509 26O 1s -0.001298 -0.000327 0.002974 0.001604 -0.000223 -0.000084 26O 2s -0.005827 0.001652 0.010901 0.006523 -0.000849 -0.000074 26O 3s 0.108277 -0.082296 -0.158455 -0.107349 0.012271 -0.005175 26O 4s -0.365095 0.366212 0.471344 0.322376 -0.030239 0.027218 26O 5s -0.131489 0.141235 -0.338090 0.342482 0.025548 0.107489 26O 1pz 0.006512 0.027954 0.009848 -0.000251 0.006412 -0.003661 26O 1px -0.009024 0.014570 0.026570 0.025132 0.000031 0.001919 26O 1py -0.033605 0.012335 0.008452 0.004285 -0.010063 0.006024 26O 2pz -0.017537 -0.124834 -0.006032 -0.010731 -0.012195 -0.019577 26O 2px 0.151068 -0.247090 -0.163483 -0.192738 0.011816 -0.039270 26O 2py 0.184094 -0.127277 -0.036228 -0.055419 0.016043 -0.050511 26O 3pz 0.164867 0.185785 -0.436766 -0.009938 -0.040232 0.061942 26O 3px 0.260705 -0.230241 -0.039791 -0.210990 -0.034183 -0.131803 26O 3py -0.045015 -0.051534 -0.340185 -0.213556 0.101708 0.088155 26O 1dz2 -0.293120 -0.150163 0.022851 -0.129711 0.291797 -0.007331 26O 1dxz -0.064961 0.167552 -0.288603 0.001652 0.005778 0.184277 26O 1dyz 0.161589 0.007339 0.180944 0.088270 -0.216417 -0.078811 26O 1dx2y2 -0.111876 -0.106285 0.166705 -0.047195 0.051055 -0.096218 26O 1dxy -0.148207 0.012857 -0.015975 -0.073701 0.201145 0.010999 26O 2dz2 0.251479 0.041444 -0.063611 0.058445 -0.206065 -0.002332 26O 2dxz 0.041842 -0.064130 0.192609 0.029396 -0.010207 -0.100066 26O 2dyz -0.119764 0.009559 -0.135656 -0.042053 0.153762 0.066395 26O 2dx2y2 0.066545 0.146902 -0.045265 0.072417 -0.049671 0.073508 26O 2dxy 0.002298 0.070488 0.049822 0.108233 -0.141819 0.008816 26O 1f0 -0.010094 0.031259 0.029049 0.023765 -0.018831 0.031808 26O 1f+1 -0.092667 0.026951 0.019445 0.006212 0.035594 0.006561 26O 1f-1 -0.057041 0.023046 0.012599 0.003152 0.009173 0.022030 26O 1f+2 -0.024993 -0.052670 -0.043402 -0.028084 0.008336 -0.012750 26O 1f-2 0.037685 -0.006273 -0.010807 -0.009185 -0.035155 -0.008892 26O 1f+3 0.078484 0.029589 0.008339 -0.003432 -0.005260 0.011870 26O 1f-3 -0.024204 0.066039 0.046306 0.062292 -0.042924 0.016852 27O 1s 0.001837 0.002323 -0.001323 0.002018 -0.000206 0.000122 27O 2s 0.008448 0.007556 -0.003163 0.008606 -0.000790 -0.000125 27O 3s -0.162466 -0.091338 0.010039 -0.150385 0.011177 0.019784 27O 4s 0.571485 0.242416 0.055122 0.486714 -0.031898 -0.103130 27O 5s -0.136264 -0.298577 0.160973 0.375733 -0.024852 -0.269923 27O 1pz 0.003458 0.011207 0.023909 -0.004921 0.009971 0.002648 27O 1px 0.025740 0.015511 0.001588 0.027692 -0.000889 -0.005527 27O 1py -0.025180 0.011548 -0.000426 -0.007167 0.005829 0.002376 27O 2pz 0.015206 -0.031940 -0.099123 0.021601 -0.013887 0.026963 27O 2px -0.286772 -0.047318 -0.111633 -0.271660 0.015310 0.124294 27O 2py 0.118040 -0.072357 0.036102 0.060482 -0.010482 -0.090961 27O 3pz -0.174409 -0.105141 0.322731 0.037773 -0.097316 -0.131705 27O 3px -0.232280 0.018059 -0.046550 -0.362338 -0.005587 0.294056 27O 3py 0.135814 0.410205 -0.158210 0.119755 -0.050436 0.166231 27O 1dz2 0.113552 -0.304496 -0.187193 -0.099521 0.335379 -0.117956 27O 1dxz -0.043871 -0.170033 0.155647 0.043814 -0.089902 -0.285739 27O 1dyz -0.148728 -0.127821 0.260451 0.016129 -0.111944 -0.256724 27O 1dx2y2 0.114812 -0.096271 -0.132259 -0.057665 0.153699 0.087531 27O 1dxy -0.052079 0.203841 -0.091124 -0.012203 -0.123524 0.259340 27O 2dz2 -0.149012 0.201625 0.106507 0.007895 -0.236426 0.114085 27O 2dxz 0.010576 0.126420 -0.067184 -0.020327 0.053620 0.162447 27O 2dyz 0.116148 0.083058 -0.185904 -0.017025 0.083646 0.179253 27O 2dx2y2 0.031987 0.100650 0.129545 0.120032 -0.118015 -0.088334 27O 2dxy -0.025796 -0.105571 0.042627 -0.066206 0.085823 -0.107990 27O 1f0 -0.006241 0.039037 0.020663 0.014967 -0.010366 0.010089 27O 1f+1 0.076062 -0.035645 -0.027274 0.033371 0.045039 -0.038567 27O 1f-1 -0.020467 0.006043 0.002522 -0.020239 0.024329 0.035565 27O 1f+2 -0.023433 -0.029070 -0.025445 -0.009011 -0.011504 0.048976 27O 1f-2 -0.038488 0.025982 0.021741 -0.010338 -0.009915 0.005962 27O 1f+3 0.020224 0.050865 0.063951 0.036933 -0.036331 -0.028086 27O 1f-3 -0.068659 -0.015399 -0.015001 -0.084747 0.021648 0.071128 28O 1s -0.000952 0.003331 0.000856 -0.000788 -0.000218 -0.000036 28O 2s -0.004056 0.012151 0.005651 -0.003048 -0.000866 -0.000322 28O 3s 0.074836 -0.178022 -0.137853 0.045472 0.013576 0.012347 28O 4s -0.274983 0.537112 0.532252 -0.114405 -0.039372 -0.055249 28O 5s 0.101157 -0.234868 0.215753 -0.377680 0.041506 -0.131029 28O 1pz -0.000214 0.021185 0.029903 0.007386 0.003124 0.003737 28O 1px 0.011081 -0.018252 -0.009401 0.018460 0.004694 0.003579 28O 1py -0.023125 -0.001324 0.009414 -0.006848 -0.008459 -0.005520 28O 2pz 0.046529 -0.109958 -0.279694 0.006492 0.003855 0.041883 28O 2px -0.122468 0.152253 0.227986 -0.097767 -0.016530 -0.039890 28O 2py 0.095545 0.022282 -0.061706 0.034871 0.009156 0.040366 28O 3pz 0.231011 -0.413717 -0.031591 0.135490 -0.032787 0.063201 28O 3px 0.055824 -0.035103 0.350221 -0.136157 -0.028510 -0.126523 28O 3py -0.099736 -0.352668 0.057463 -0.070472 0.104420 -0.121082 28O 1dz2 -0.213885 -0.162249 0.077261 -0.078959 0.161376 -0.122133 28O 1dxz -0.190180 -0.013578 -0.111272 -0.056981 0.204424 0.003216 28O 1dyz 0.043326 0.173249 -0.010672 0.023475 -0.046496 0.058782 28O 1dx2y2 -0.338665 0.100592 -0.164464 -0.041590 0.269176 0.084029 28O 1dxy 0.064640 0.285920 -0.145348 0.030675 -0.175785 0.141258 28O 2dz2 0.173161 0.119042 -0.002402 0.049343 -0.124013 0.061851 28O 2dxz 0.175890 -0.069026 -0.061560 0.063314 -0.136040 0.026239 28O 2dyz -0.047814 -0.121360 0.036700 -0.045678 0.038255 -0.051461 28O 2dx2y2 0.193935 -0.017282 0.167754 0.018997 -0.195645 -0.057787 28O 2dxy -0.013174 -0.197420 0.064634 0.001907 0.118978 -0.087097 28O 1f0 -0.087756 -0.017498 0.003908 -0.037132 0.030308 -0.006058 28O 1f+1 -0.001538 0.066819 0.082811 -0.006978 -0.010080 -0.039007 28O 1f-1 0.014624 0.003677 0.013443 0.020664 -0.015412 -0.011821 28O 1f+2 0.017433 -0.031929 -0.067621 0.013174 -0.013591 0.011851 28O 1f-2 -0.038371 0.019611 0.033076 -0.026073 -0.009333 -0.020398 28O 1f+3 -0.057735 -0.011407 -0.017160 -0.008297 0.054862 0.000433 28O 1f-3 -0.005545 0.040411 0.036311 -0.019538 -0.022783 0.002979 29O 1s -0.000302 0.000680 0.000890 -0.001944 -0.000460 0.000950 29O 2s -0.000761 0.002457 0.003249 -0.007716 -0.001720 0.002978 29O 3s -0.001027 -0.037922 -0.050823 0.140480 0.026650 -0.037070 29O 4s -0.041066 0.072760 0.095444 -0.204985 -0.070244 0.084159 29O 5s 0.316742 0.076206 0.119781 -0.783478 0.013269 -0.052921 29O 1pz -0.000121 0.005701 0.006156 -0.010532 -0.000366 0.003857 29O 1px 0.002795 -0.004617 -0.006570 0.019390 0.004261 -0.008319 29O 1py -0.000792 0.009779 0.013479 -0.044980 -0.005752 0.002760 29O 2pz -0.009359 -0.022564 -0.029791 0.101047 0.000075 -0.020300 29O 2px 0.026542 0.042440 0.058406 -0.209967 -0.017752 0.035598 29O 2py -0.008285 -0.053501 -0.074403 0.250944 0.031422 -0.026497 29O 3pz 0.084510 0.136284 0.132544 -0.057248 0.007477 -0.022190 29O 3px -0.128840 0.000881 -0.020653 0.377877 -0.026550 -0.029649 29O 3py -0.125750 0.011817 0.016795 0.025922 0.012760 0.054309 29O 1dz2 -0.138502 -0.086136 -0.077826 -0.080022 -0.029127 0.064261 29O 1dxz 0.038176 0.252163 0.285234 -0.186533 0.004299 0.023792 29O 1dyz 0.224246 0.142901 0.127543 0.045652 0.019865 -0.107006 29O 1dx2y2 -0.152972 -0.032922 -0.073163 0.715622 -0.083262 -0.080879 29O 1dxy -0.323529 0.099956 0.130774 0.022776 -0.034497 0.148043 29O 2dz2 0.131961 0.072912 0.072905 -0.034641 0.019370 -0.044809 29O 2dxz -0.001220 -0.167310 -0.189566 0.067935 -0.007064 -0.017680 29O 2dyz -0.164233 -0.109116 -0.095903 -0.051010 -0.013694 0.086464 29O 2dx2y2 0.107189 0.019734 0.047117 -0.498409 0.061537 0.058948 29O 2dxy 0.211595 -0.089006 -0.115887 0.056835 0.035209 -0.113835 29O 1f0 -0.047197 -0.042720 -0.054249 0.155550 0.003105 -0.011179 29O 1f+1 0.031360 0.038635 0.045499 -0.073368 0.000008 0.003030 29O 1f-1 -0.037114 -0.019538 -0.028625 0.096403 0.006685 -0.001074 29O 1f+2 -0.008320 -0.014260 -0.007206 -0.110723 -0.001174 0.027322 29O 1f-2 -0.020641 0.005721 0.009847 0.058774 0.008724 -0.002992 29O 1f+3 -0.012105 0.030073 0.035758 -0.040051 -0.006635 0.011801 29O 1f-3 0.011942 0.007009 0.008802 -0.092161 0.000815 0.005970 30O 1s 0.002800 -0.000716 0.002009 -0.000215 -0.000134 -0.000398 30O 2s 0.012154 -0.000548 0.006606 -0.000539 -0.000481 -0.000710 30O 3s -0.217723 -0.036406 -0.080394 0.003507 0.006462 -0.010419 30O 4s 0.724854 0.202185 0.208136 0.022676 -0.017915 0.068080 30O 5s 0.030709 0.290383 -0.138305 -0.431168 -0.016464 0.352321 30O 1pz 0.011944 0.023637 0.019023 0.011377 0.007864 0.001188 30O 1px -0.021994 0.003454 -0.009498 0.013689 0.002402 -0.009432 30O 1py -0.037408 -0.007134 0.007460 -0.004649 0.006867 -0.006049 30O 2pz -0.148256 -0.180491 -0.062186 -0.027810 -0.007419 -0.087428 30O 2px 0.265017 0.089868 0.042836 -0.049829 -0.005576 0.066841 30O 2py 0.243627 0.120857 -0.053437 -0.005792 -0.010972 0.131713 30O 3pz -0.329476 0.149913 -0.038754 0.016715 -0.092570 -0.051188 30O 3px 0.127232 0.320148 -0.152094 -0.148529 -0.015935 0.360403 30O 3py 0.283068 -0.029553 0.399737 0.063462 -0.066232 -0.082154 30O 1dz2 0.011818 0.012535 -0.300914 -0.091150 0.134050 0.296260 30O 1dxz 0.062397 -0.196370 -0.186218 -0.033944 0.296265 0.038327 30O 1dyz -0.137014 0.145472 0.034402 -0.020387 -0.121670 0.084029 30O 1dx2y2 0.124229 -0.330387 0.069608 0.062930 0.163318 -0.367499 30O 1dxy 0.012693 0.055981 -0.227715 -0.038350 0.175435 0.199370 30O 2dz2 -0.047758 0.011253 0.221149 0.072677 -0.104019 -0.196517 30O 2dxz -0.135603 0.075243 0.101884 0.008822 -0.206450 -0.055610 30O 2dyz 0.017369 -0.159263 -0.028094 0.032076 0.092741 -0.114438 30O 2dx2y2 -0.065001 0.220692 -0.019151 -0.016737 -0.117262 0.214254 30O 2dxy 0.117819 0.010104 0.152852 0.021519 -0.121388 -0.091330 30O 1f0 0.058345 -0.023990 -0.031358 -0.019631 0.036338 0.000970 30O 1f+1 0.015398 0.022309 0.026082 0.018188 0.004886 0.007774 30O 1f-1 -0.025657 0.047813 0.046013 0.017379 -0.005269 0.009377 30O 1f+2 -0.007470 0.008717 0.025890 -0.014567 -0.040406 -0.003019 30O 1f-2 -0.082294 -0.055777 -0.019224 -0.005350 0.019918 -0.085183 30O 1f+3 0.092152 -0.005828 -0.016020 -0.011380 0.022562 0.054225 30O 1f-3 -0.039406 -0.051365 -0.030396 -0.003458 0.034253 -0.005322 31O 1s -0.002861 0.000674 -0.002037 0.000229 -0.000122 -0.000396 31O 2s -0.012385 0.000391 -0.006714 0.000583 -0.000433 -0.000684 31O 3s 0.221059 0.038598 0.081949 -0.003882 0.005643 -0.011169 31O 4s -0.733816 -0.207670 -0.211994 -0.022675 -0.014964 0.071195 31O 5s -0.026889 -0.286297 0.140464 0.426984 -0.016376 0.355201 31O 1pz 0.012391 0.023868 0.019233 0.011274 -0.007991 -0.001286 31O 1px -0.022590 0.003010 -0.009843 0.013834 -0.002405 0.009392 31O 1py -0.037790 -0.007362 0.007295 -0.004520 -0.006828 0.006206 31O 2pz -0.150495 -0.181552 -0.063128 -0.028204 0.008395 0.088643 31O 2px 0.268646 0.092061 0.044452 -0.049896 0.004808 -0.067909 31O 2py 0.245491 0.121751 -0.052768 -0.005487 0.010356 -0.133232 31O 3pz -0.331014 0.150135 -0.040012 0.017377 0.092908 0.052569 31O 3px 0.126711 0.318718 -0.152106 -0.146757 0.015340 -0.363779 31O 3py 0.286328 -0.028870 0.401594 0.062323 0.064331 0.081572 31O 1dz2 -0.010352 -0.011169 0.301344 0.090953 0.132954 0.296952 31O 1dxz -0.062370 0.196336 0.186680 0.034960 0.295168 0.038494 31O 1dyz 0.138338 -0.144453 -0.034124 0.020316 -0.121794 0.084136 31O 1dx2y2 -0.125571 0.330418 -0.068921 -0.060551 0.163423 -0.368119 31O 1dxy -0.011762 -0.054479 0.228475 0.038506 0.174793 0.200614 31O 2dz2 0.047118 -0.012001 -0.221382 -0.072838 -0.103229 -0.197100 31O 2dxz 0.136924 -0.074512 -0.101516 -0.009510 -0.206090 -0.056272 31O 2dyz -0.017381 0.159236 0.028455 -0.031771 0.092575 -0.115000 31O 2dx2y2 0.065284 -0.220870 0.018536 0.015487 -0.117170 0.214756 31O 2dxy -0.119768 -0.011932 -0.153992 -0.021618 -0.120607 -0.091561 31O 1f0 0.059364 -0.023396 -0.030868 -0.020180 -0.036212 -0.001125 31O 1f+1 0.015980 0.022699 0.026485 0.018413 -0.005090 -0.007862 31O 1f-1 -0.025358 0.048108 0.046269 0.017636 0.005131 -0.009471 31O 1f+2 -0.007386 0.008937 0.025976 -0.014384 0.040336 0.003158 31O 1f-2 -0.083858 -0.057052 -0.020346 -0.005363 -0.019698 0.085606 31O 1f+3 0.093067 -0.004942 -0.015554 -0.011256 -0.022668 -0.054491 31O 1f-3 -0.040342 -0.052185 -0.031032 -0.003424 -0.034024 0.005570 32O 1s 0.000329 -0.000636 -0.000882 0.001958 -0.000454 0.000933 32O 2s 0.000885 -0.002285 -0.003202 0.007770 -0.001704 0.002937 32O 3s -0.001430 0.034864 0.049631 -0.141477 0.026492 -0.036822 32O 4s 0.045453 -0.066871 -0.093558 0.207071 -0.069650 0.083180 32O 5s -0.304829 -0.065471 -0.110939 0.786819 0.011739 -0.047459 32O 1pz -0.000199 0.005201 0.005650 -0.009332 -0.000176 -0.003534 32O 1px 0.003190 -0.004204 -0.006434 0.019979 -0.004422 0.008487 32O 1py -0.001457 0.009017 0.013129 -0.045413 0.005760 -0.002857 32O 2pz -0.007774 -0.018935 -0.026313 0.094068 0.002825 0.018692 32O 2px 0.022442 0.038449 0.056451 -0.213918 0.018898 -0.037072 32O 2py -0.003957 -0.048506 -0.071768 0.253440 -0.031490 0.027387 32O 3pz 0.081561 0.135639 0.132446 -0.057223 -0.007892 0.020172 32O 3px -0.124816 0.004406 -0.017755 0.378820 0.025535 0.030646 32O 3py -0.124020 0.014076 0.019431 0.027341 -0.012645 -0.052381 32O 1dz2 0.145132 0.093708 0.083703 0.084689 -0.031262 0.067336 32O 1dxz -0.033246 -0.243693 -0.279079 0.185927 0.006954 0.024955 32O 1dyz -0.209588 -0.144860 -0.128990 -0.057303 0.018402 -0.101844 32O 1dx2y2 0.142225 0.025665 0.069582 -0.716735 -0.080369 -0.081456 32O 1dxy 0.328283 -0.098909 -0.132957 -0.027761 -0.034913 0.148938 32O 2dz2 -0.135612 -0.077063 -0.076352 0.031436 0.021252 -0.047403 32O 2dxz -0.000991 0.162052 0.185409 -0.066245 -0.009794 -0.018087 32O 2dyz 0.152303 0.110636 0.096811 0.062418 -0.011929 0.082089 32O 2dx2y2 -0.100290 -0.015510 -0.045316 0.499508 0.059123 0.059248 32O 2dxy -0.217159 0.086584 0.116436 -0.052727 0.035770 -0.115068 32O 1f0 -0.041746 -0.038507 -0.050756 0.149867 -0.002630 0.011548 32O 1f+1 0.030533 0.037529 0.045288 -0.079005 0.000234 -0.004057 32O 1f-1 -0.038412 -0.020812 -0.030835 0.100839 -0.006276 0.000587 32O 1f+2 -0.007301 -0.016323 -0.008313 -0.117288 0.002017 -0.026981 32O 1f-2 -0.018677 0.006595 0.010626 0.055476 -0.009898 0.002902 32O 1f+3 -0.014384 0.028799 0.035198 -0.037581 0.006309 -0.012379 32O 1f-3 0.010371 0.006503 0.008904 -0.089926 -0.000056 -0.005573 33O 1s 0.000908 -0.003384 -0.000899 0.000780 -0.000212 -0.000027 33O 2s 0.003888 -0.012352 -0.005811 0.003016 -0.000836 -0.000301 33O 3s -0.072355 0.181048 0.140234 -0.044959 0.013015 0.012270 33O 4s 0.267076 -0.545980 -0.539440 0.113016 -0.037539 -0.055646 33O 5s -0.102555 0.232218 -0.216046 0.380147 0.039960 -0.132243 33O 1pz -0.000320 0.021362 0.030030 0.007661 -0.003349 -0.003627 33O 1px 0.010812 -0.018761 -0.009723 0.018187 -0.004672 -0.003679 33O 1py -0.023215 -0.001456 0.009474 -0.006837 0.008406 0.005679 33O 2pz 0.045558 -0.112270 -0.281145 0.005030 -0.002986 -0.042729 33O 2px -0.119953 0.156019 0.230902 -0.096716 0.016038 0.040915 33O 2py 0.095723 0.022484 -0.062297 0.034781 -0.009100 -0.041148 33O 3pz 0.227871 -0.417061 -0.032632 0.137543 0.034242 -0.061662 33O 3px 0.057227 -0.032718 0.351286 -0.136666 0.027880 0.126562 33O 3py -0.101035 -0.353793 0.056516 -0.069054 -0.102831 0.123117 33O 1dz2 0.213972 0.161732 -0.076174 0.078553 0.161184 -0.122756 33O 1dxz 0.189997 0.013710 0.111957 0.057673 0.204185 0.003358 33O 1dyz -0.045217 -0.175159 0.008871 -0.022873 -0.046023 0.059475 33O 1dx2y2 0.336693 -0.100711 0.164462 0.043957 0.268849 0.083789 33O 1dxy -0.066946 -0.286060 0.143546 -0.029345 -0.175168 0.142202 33O 2dz2 -0.173497 -0.119252 0.001729 -0.049479 -0.123838 0.062538 33O 2dxz -0.174671 0.070744 0.062235 -0.063188 -0.136287 0.026380 33O 2dyz 0.048554 0.122320 -0.035967 0.045232 0.037839 -0.052052 33O 2dx2y2 -0.193116 0.016494 -0.168523 -0.020747 -0.195140 -0.057890 33O 2dxy 0.014998 0.197743 -0.062862 -0.002791 0.118502 -0.087589 33O 1f0 -0.087347 -0.017309 0.004136 -0.037275 -0.030240 0.006399 33O 1f+1 -0.000737 0.068559 0.083377 -0.005962 0.009880 0.038709 33O 1f-1 0.014264 0.003584 0.013317 0.020568 0.015299 0.011841 33O 1f+2 0.016989 -0.033075 -0.068280 0.012467 0.013793 -0.011967 33O 1f-2 -0.037877 0.019883 0.033737 -0.025752 0.009257 0.020589 33O 1f+3 -0.057726 -0.011645 -0.017412 -0.008629 -0.054773 -0.000426 33O 1f-3 -0.004798 0.040869 0.037242 -0.019416 0.022690 -0.002969 34O 1s -0.001889 -0.002379 0.001281 -0.002032 -0.000197 0.000133 34O 2s -0.008652 -0.007766 0.003013 -0.008656 -0.000752 -0.000095 34O 3s 0.165464 0.094404 -0.007978 0.151128 0.010476 0.019524 34O 4s -0.579124 -0.250721 -0.060650 -0.489071 -0.029444 -0.102170 34O 5s 0.136659 0.299895 -0.159137 -0.378518 -0.024661 -0.274863 34O 1pz 0.003428 0.010994 0.023784 -0.004957 -0.010060 -0.002585 34O 1px 0.026792 0.016108 0.001952 0.027507 0.000735 0.005699 34O 1py -0.025341 0.011563 -0.000427 -0.007074 -0.005728 -0.002398 34O 2pz 0.015452 -0.031049 -0.098548 0.021919 0.014210 -0.027236 34O 2px -0.291968 -0.051281 -0.113893 -0.271661 -0.014032 -0.125393 34O 2py 0.118991 -0.072237 0.036160 0.060060 0.009977 0.091335 34O 3pz -0.175068 -0.106920 0.322216 0.037094 0.096612 0.134059 34O 3px -0.233992 0.015163 -0.047022 -0.365428 0.007208 -0.294732 34O 3py 0.136875 0.413174 -0.156616 0.123365 0.049181 -0.169148 34O 1dz2 -0.114109 0.305823 0.188639 0.101946 0.334111 -0.118526 34O 1dxz 0.043464 0.170167 -0.155308 -0.042399 -0.089530 -0.286829 34O 1dyz 0.149738 0.129369 -0.258766 -0.014720 -0.111709 -0.258928 34O 1dx2y2 -0.113951 0.096614 0.132856 0.057632 0.152885 0.087634 34O 1dxy 0.053039 -0.203657 0.090499 0.010594 -0.123246 0.260066 34O 2dz2 0.150566 -0.201466 -0.106903 -0.009448 -0.235803 0.114703 34O 2dxz -0.010329 -0.126460 0.067010 0.019488 0.053431 0.163187 34O 2dyz -0.116875 -0.084048 0.184783 0.016127 0.083502 0.180860 34O 2dx2y2 -0.034282 -0.102467 -0.130760 -0.120258 -0.117010 -0.088674 34O 2dxy 0.026271 0.106249 -0.041660 0.067261 0.085279 -0.108398 34O 1f0 -0.005876 0.039398 0.020914 0.015120 0.010334 -0.010181 34O 1f+1 0.077801 -0.034464 -0.026660 0.032960 -0.045097 0.038782 34O 1f-1 -0.020964 0.005633 0.002299 -0.020203 -0.024155 -0.035513 34O 1f+2 -0.023882 -0.029252 -0.025526 -0.008835 0.011589 -0.048823 34O 1f-2 -0.038636 0.025856 0.021604 -0.010327 0.009988 -0.005806 34O 1f+3 0.021438 0.051893 0.064416 0.036971 0.036003 0.028465 34O 1f-3 -0.070865 -0.016863 -0.016172 -0.084575 -0.021085 -0.071017 35O 1s 0.001277 0.000288 -0.002996 -0.001635 -0.000210 -0.000100 35O 2s 0.005739 -0.001801 -0.010996 -0.006634 -0.000792 -0.000117 35O 3s -0.106949 0.084418 0.159974 0.108758 0.011247 -0.004882 35O 4s 0.361374 -0.371649 -0.475323 -0.325589 -0.026826 0.027574 35O 5s 0.129970 -0.139779 0.336374 -0.338248 0.027305 0.108876 35O 1pz 0.006375 0.027914 0.009744 -0.000254 -0.006488 0.003504 35O 1px -0.008816 0.015011 0.026967 0.025523 -0.000212 -0.001774 35O 1py -0.033628 0.012555 0.008636 0.004537 0.009964 -0.006056 35O 2pz -0.017477 -0.124482 -0.005855 -0.010325 0.012380 0.020201 35O 2px 0.149649 -0.249322 -0.165866 -0.193917 -0.010021 0.039691 35O 2py 0.183775 -0.128370 -0.037193 -0.056027 -0.015334 0.051052 35O 3pz 0.164775 0.184827 -0.438424 -0.012118 0.041347 -0.063973 35O 3px 0.259598 -0.229825 -0.041613 -0.210585 0.036161 0.132011 35O 3py -0.044829 -0.052796 -0.341751 -0.215710 -0.099223 -0.088004 35O 1dz2 0.291560 0.149696 -0.022727 0.130527 0.291297 -0.008508 35O 1dxz 0.064395 -0.165682 0.288196 0.000388 0.005372 0.184597 35O 1dyz -0.162026 -0.009518 -0.181909 -0.089314 -0.215264 -0.078169 35O 1dx2y2 0.111850 0.105833 -0.166594 0.046462 0.051320 -0.096305 35O 1dxy 0.147766 -0.012660 0.015951 0.074685 0.200823 0.010754 35O 2dz2 -0.250129 -0.040578 0.064098 -0.058686 -0.206110 -0.001589 35O 2dxz -0.042112 0.062744 -0.192748 -0.030586 -0.009762 -0.100353 35O 2dyz 0.119550 -0.008233 0.136093 0.042810 0.152991 0.065885 35O 2dx2y2 -0.066819 -0.147099 0.044386 -0.072338 -0.049438 0.073610 35O 2dxy -0.002682 -0.071707 -0.050593 -0.109326 -0.141001 0.009178 35O 1f0 -0.009428 0.031661 0.029624 0.023969 0.018638 -0.031596 35O 1f+1 -0.091852 0.027604 0.020020 0.006473 -0.035620 -0.006339 35O 1f-1 -0.056754 0.023315 0.012823 0.003090 -0.009282 -0.022041 35O 1f+2 -0.025494 -0.053223 -0.043977 -0.028067 -0.008073 0.012652 35O 1f-2 0.036928 -0.006649 -0.011237 -0.009328 0.035175 0.008579 35O 1f+3 0.078403 0.029218 0.008625 -0.003477 0.005504 -0.011680 35O 1f-3 -0.023284 0.067545 0.047376 0.063152 0.042569 -0.016828 702 703 704 705 706 707 6.57027 6.61040 6.71174 6.72409 6.72420 6.72810 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s 0.000114 0.003354 -0.000015 -0.000029 -0.000080 0.000114 0Rh 2s -0.000619 -0.025012 0.011902 -0.000217 0.000716 -0.001253 0Rh 3s 0.000328 0.005734 0.006892 -0.000303 -0.000069 -0.000042 0Rh 4s 0.004198 0.163493 -0.070481 0.001173 -0.004614 0.007929 0Rh 5s -0.011815 -0.475630 0.232035 -0.004488 0.013626 -0.023565 0Rh 6s 0.013291 0.641172 -0.467029 0.011867 -0.018987 0.034145 0Rh 7s -0.038644 -1.648014 1.822032 -0.056214 0.038962 -0.091667 0Rh 8s 0.044383 -0.119191 -0.473607 -0.006572 -0.062233 -0.077550 0Rh 1pz -0.040790 -0.020837 0.003584 -0.005474 -0.018536 0.056963 0Rh 1px -0.010881 0.061779 -0.018807 -0.005775 -0.018376 0.013047 0Rh 1py -0.009638 0.011724 -0.004199 0.019464 0.053540 0.023357 0Rh 2pz 0.172248 0.088002 -0.015221 0.023274 0.078901 -0.242376 0Rh 2px 0.045962 -0.260886 0.079916 0.024538 0.078140 -0.055541 0Rh 2py 0.040699 -0.049503 0.017873 -0.082815 -0.227870 -0.099393 0Rh 3pz -0.596257 -0.303839 0.054435 -0.083278 -0.284387 0.871737 0Rh 3px -0.159344 0.900242 -0.285716 -0.087487 -0.280028 0.200200 0Rh 3py -0.140931 0.170683 -0.064389 0.297712 0.820820 0.357666 0Rh 4pz 0.862523 0.431192 -0.084163 0.126378 0.438824 -1.339851 0Rh 4px 0.231113 -1.276114 0.436288 0.131821 0.427287 -0.308438 0Rh 4py 0.204086 -0.241536 0.098925 -0.456588 -1.264984 -0.550245 0Rh 5pz -0.610053 -0.265557 0.068138 -0.094388 -0.343358 1.040076 0Rh 5px -0.164047 0.782336 -0.330780 -0.097177 -0.326514 0.238586 0Rh 5py -0.145206 0.147034 -0.073029 0.350343 0.987012 0.428127 0Rh 6pz 0.173453 -0.269446 -0.064642 0.073318 0.157292 -0.561875 0Rh 6px 0.051701 0.834515 0.147488 0.056310 0.193986 -0.068097 0Rh 6py 0.056102 0.178072 -0.012642 -0.138896 -0.527543 -0.234166 0Rh 1dz2 0.004119 -0.005867 -0.001189 -0.009517 0.000690 0.006250 0Rh 1dxz -0.005976 -0.008593 -0.001714 0.001842 0.002934 -0.011999 0Rh 1dyz 0.001229 -0.001331 -0.001413 -0.020730 0.011583 -0.001763 0Rh 1dx2y2 -0.001471 0.012633 0.002294 -0.001470 0.007139 -0.001571 0Rh 1dxy -0.000546 0.004183 0.001658 -0.011937 -0.008960 -0.005741 0Rh 2dz2 -0.000423 0.001485 -0.001309 0.007144 -0.000740 -0.003811 0Rh 2dxz 0.000453 0.002233 -0.001959 -0.001201 -0.001853 0.007578 0Rh 2dyz -0.000642 0.000341 0.000440 0.015893 -0.008013 0.001086 0Rh 2dx2y2 0.000004 -0.003177 0.002892 0.001240 -0.004468 0.000777 0Rh 2dxy -0.000410 -0.000934 0.000710 0.008706 0.005266 0.003547 0Rh 3dz2 -0.021435 0.026435 0.014136 0.018035 -0.000029 -0.016865 0Rh 3dxz 0.031901 0.038400 0.020804 -0.004593 -0.007586 0.030951 0Rh 3dyz -0.003853 0.006017 0.006017 0.037496 -0.025835 0.004644 0Rh 3dx2y2 0.008375 -0.056857 -0.029351 0.002049 -0.018593 0.005235 0Rh 3dxy 0.005156 -0.019473 -0.013777 0.024215 0.025402 0.015257 0Rh 4dz2 0.057279 -0.069653 -0.051060 -0.011004 -0.005825 0.032085 0Rh 4dxz -0.085572 -0.100743 -0.075431 0.007831 0.013849 -0.054976 0Rh 4dyz 0.009003 -0.016033 -0.015715 -0.015503 0.032237 -0.008118 0Rh 4dx2y2 -0.022700 0.149011 0.107834 0.002360 0.032901 -0.012308 0Rh 4dxy -0.015137 0.051765 0.047313 -0.022675 -0.052606 -0.028389 0Rh 5dz2 -0.129764 0.150736 0.199754 -0.231305 0.062314 -0.003467 0Rh 5dxz 0.198410 0.220551 0.295617 0.008242 0.001784 -0.021604 0Rh 5dyz -0.011750 0.032931 0.033479 -0.556748 0.164939 -0.002946 0Rh 5dx2y2 0.052126 -0.324081 -0.433193 -0.068196 0.019657 0.017529 0Rh 5dxy 0.040801 -0.115711 -0.180110 -0.226701 0.054095 -0.001182 0Rh 1f0 0.005275 0.009476 0.004864 0.001922 0.032440 -0.000631 0Rh 1f+1 0.006720 -0.007881 -0.005251 0.012939 -0.003013 0.013272 0Rh 1f-1 -0.010012 -0.001737 -0.005131 -0.004641 0.022882 0.049815 0Rh 1f+2 0.003950 -0.011633 -0.005847 0.000981 0.030360 -0.036967 0Rh 1f-2 -0.002648 -0.004579 -0.003804 0.038193 0.025701 0.011361 0Rh 1f+3 -0.002296 -0.014357 -0.008921 -0.010608 -0.025002 0.015066 0Rh 1f-3 0.003759 -0.009199 -0.007325 -0.010280 0.018375 0.002618 1Rh 1s 0.000128 -0.003352 -0.000013 0.000019 0.000081 -0.000110 1Rh 2s -0.000711 0.025001 0.011895 -0.000563 -0.000477 0.001349 1Rh 3s 0.000360 -0.005732 0.006898 -0.000216 0.000211 0.000121 1Rh 4s 0.004804 -0.163419 -0.070431 0.003440 0.003193 -0.008480 1Rh 5s -0.013549 0.475417 0.231898 -0.011019 -0.008903 0.025460 1Rh 6s 0.015490 -0.640894 -0.466894 0.020062 0.009522 -0.038371 1Rh 7s -0.040964 1.647304 1.821825 -0.067150 -0.002393 0.109618 1Rh 8s 0.042296 0.119365 -0.474155 0.030828 0.055093 0.073047 1Rh 1pz 0.040745 -0.020849 -0.004040 -0.004658 -0.018789 0.056938 1Rh 1px 0.010867 0.061742 0.018719 -0.005381 -0.018561 0.013318 1Rh 1py 0.009596 0.011789 0.004044 0.015205 0.054881 0.023458 1Rh 2pz -0.172058 0.088052 0.017161 0.019853 0.079959 -0.242274 1Rh 2px -0.045897 -0.260732 -0.079537 0.022895 0.078915 -0.056692 1Rh 2py -0.040523 -0.049778 -0.017212 -0.064734 -0.233563 -0.099822 1Rh 3pz 0.595638 -0.304009 -0.061412 -0.072095 -0.287838 0.871406 1Rh 3px 0.159004 0.899710 0.284339 -0.082415 -0.282533 0.204304 1Rh 3py 0.140342 0.171646 0.062019 0.233619 0.841000 0.359220 1Rh 4pz -0.861768 0.431414 0.094871 0.113092 0.442913 -1.339436 1Rh 4px -0.230230 -1.275352 -0.434126 0.127146 0.430073 -0.314666 1Rh 4py -0.203316 -0.242950 -0.095298 -0.361711 -1.294830 -0.552668 1Rh 5pz 0.609919 -0.265663 -0.076335 -0.092341 -0.343976 1.039884 1Rh 5px 0.162606 0.781819 0.329054 -0.100174 -0.326307 0.243239 1Rh 5py 0.144928 0.148053 0.070232 0.286849 1.006852 0.430072 1Rh 6pz -0.177265 -0.267027 0.066020 0.015690 0.175253 -0.560246 1Rh 6px -0.046990 0.835258 -0.147987 0.063136 0.190234 -0.069309 1Rh 6py -0.057705 0.177277 0.014584 -0.192857 -0.508488 -0.234885 1Rh 1dz2 0.004043 0.005877 -0.001101 -0.008355 0.004940 -0.006050 1Rh 1dxz -0.006071 0.008588 -0.001839 0.000142 -0.003527 0.011925 1Rh 1dyz 0.001239 0.001324 -0.001387 -0.023608 0.002295 0.002409 1Rh 1dx2y2 -0.001391 -0.012631 0.002260 -0.005230 -0.005050 0.001704 1Rh 1dxy -0.000544 -0.004203 0.001625 -0.004524 0.014128 0.005982 1Rh 2dz2 -0.000407 -0.001489 -0.001360 0.006378 -0.003506 0.003629 1Rh 2dxz 0.000475 -0.002230 -0.001883 -0.000121 0.002262 -0.007567 1Rh 2dyz -0.000656 -0.000336 0.000431 0.017609 -0.002470 -0.001573 1Rh 2dx2y2 -0.000002 0.003177 0.002914 0.003541 0.002961 -0.000817 1Rh 2dxy -0.000404 0.000939 0.000733 0.004044 -0.009271 -0.003713 1Rh 3dz2 -0.021082 -0.026475 0.013884 0.015219 -0.010524 0.016663 1Rh 3dxz 0.032335 -0.038388 0.021140 -0.000217 0.008956 -0.030567 1Rh 3dyz -0.003837 -0.006000 0.005913 0.045467 -0.000147 -0.005861 1Rh 3dx2y2 0.007943 0.056851 -0.029263 0.012132 0.014259 -0.005807 1Rh 3dxy 0.005112 0.019569 -0.013705 0.004939 -0.034543 -0.015799 1Rh 4dz2 0.056326 0.069753 -0.050557 -0.006445 0.011662 -0.032604 1Rh 4dxz -0.086721 0.100722 -0.076071 -0.000103 -0.015883 0.053864 1Rh 4dyz 0.008865 0.015996 -0.015447 -0.030999 -0.017618 0.008858 1Rh 4dx2y2 -0.021482 -0.149004 0.107678 -0.016492 -0.028840 0.013780 1Rh 4dxy -0.014980 -0.052021 0.047211 0.012255 0.055845 0.029012 1Rh 5dz2 -0.127254 -0.150944 0.199479 -0.225522 0.079910 0.012005 1Rh 5dxz 0.201138 -0.220497 0.295806 0.006325 -0.007366 0.024573 1Rh 5dyz -0.010503 -0.032838 0.032964 -0.551395 0.181732 0.018487 1Rh 5dx2y2 0.048829 0.324115 -0.433212 -0.067451 0.024013 -0.020130 1Rh 5dxy 0.040343 0.116282 -0.180329 -0.217146 0.085203 0.005630 1Rh 1f0 -0.005290 0.009483 -0.004864 0.016944 0.027744 -0.000908 1Rh 1f+1 -0.006691 -0.007876 0.005069 -0.011993 0.004818 0.013649 1Rh 1f-1 0.009977 -0.001703 0.004771 0.018188 0.015799 0.049568 1Rh 1f+2 -0.003907 -0.011642 0.006193 0.015618 0.025845 -0.037251 1Rh 1f-2 0.002757 -0.004572 0.003704 -0.016414 0.042823 0.012112 1Rh 1f+3 0.002287 -0.014344 0.008781 -0.005168 -0.026679 0.015038 1Rh 1f-3 -0.003754 -0.009207 0.007325 0.018951 0.009250 0.002246 2C 1s -0.000368 0.000318 0.001698 -0.002985 -0.000139 -0.004085 2C 2s -0.000863 0.000623 -0.000610 -0.000097 -0.000301 -0.002400 2C 3s 0.029053 -0.015301 0.187444 -0.282663 0.012632 -0.239587 2C 4s -0.095787 0.053082 -1.145585 1.646063 -0.063157 1.552707 2C 5s 0.507459 -0.203858 0.291270 -0.550724 -0.065837 -0.374261 2C 1pz 0.003631 -0.001584 0.026551 -0.031201 0.005741 -0.019376 2C 1px -0.013389 0.003446 0.008182 -0.009771 0.001841 -0.007141 2C 1py -0.004885 0.000374 0.016439 -0.020176 0.002135 -0.011918 2C 2pz -0.058430 0.017132 -0.741475 0.964194 -0.066472 0.930037 2C 2px 0.111291 -0.004674 -0.169826 0.225347 -0.008698 0.229961 2C 2py 0.035896 0.000423 -0.500859 0.652004 -0.036849 0.632477 2C 3pz 0.071007 -0.024574 0.011521 0.012173 -0.034561 0.031508 2C 3px 0.030303 -0.006926 0.074555 -0.101604 -0.001007 -0.034202 2C 3py 0.045186 -0.016987 -0.008515 0.030292 0.012559 0.021891 2C 1dz2 -0.011427 0.000676 -0.015653 0.027385 -0.001378 0.028575 2C 1dxz 0.019999 -0.000714 -0.015891 0.015893 -0.003161 0.023724 2C 1dyz -0.003824 -0.000201 -0.024533 0.042162 0.000424 0.045313 2C 1dx2y2 0.000950 -0.001494 0.010080 -0.014607 -0.000429 -0.014365 2C 1dxy 0.014497 -0.000371 -0.007408 0.008623 0.000057 0.013131 2C 2dz2 -0.064590 0.012628 -0.165213 0.220044 -0.037626 0.212881 2C 2dxz 0.115343 -0.021245 -0.058258 0.049593 -0.030405 0.073164 2C 2dyz -0.018248 0.012275 -0.273206 0.369996 -0.009917 0.344688 2C 2dx2y2 0.002472 0.001229 0.063402 -0.087969 -0.008019 -0.074706 2C 2dxy 0.064493 -0.009028 -0.054198 0.059380 0.004651 0.062983 2C 1f0 -0.046253 0.010528 -0.002409 0.014271 -0.010350 0.011502 2C 1f+1 0.034140 -0.005276 -0.019349 0.027881 -0.008693 0.037997 2C 1f-1 -0.020208 0.005160 -0.030428 0.054677 -0.000932 0.044248 2C 1f+2 0.030201 -0.009805 0.016219 -0.044394 -0.006345 -0.031863 2C 1f-2 0.051726 -0.009514 -0.017286 0.025366 0.001141 0.026852 2C 1f+3 0.030694 -0.007837 -0.010798 0.002212 -0.010254 0.012583 2C 1f-3 -0.013336 0.003553 -0.006016 0.020393 0.012335 0.012672 3C 1s -0.000219 0.000194 0.001849 0.003738 0.003269 -0.001150 3C 2s -0.000482 0.000406 -0.000642 0.000751 0.002335 -0.000338 3C 3s 0.010594 -0.012297 0.204599 0.318142 0.163844 -0.076583 3C 4s -0.047600 0.042731 -1.245027 -1.892548 -1.109273 0.451087 3C 5s -0.008948 -0.159582 0.327944 0.556828 0.238100 -0.234894 3C 1pz 0.003635 -0.000940 0.014554 0.016216 0.005020 -0.002739 3C 1px -0.003731 0.003319 0.011553 0.015340 0.005029 -0.002790 3C 1py -0.000378 0.001269 -0.029188 -0.035375 -0.011168 0.004033 3C 2pz -0.035330 0.001007 -0.478413 -0.644413 -0.393758 0.128306 3C 2px 0.028878 -0.007430 -0.310455 -0.456346 -0.266151 0.111071 3C 2py 0.012031 -0.015733 0.805696 1.124336 0.666922 -0.228234 3C 3pz -0.011588 -0.014856 -0.047693 -0.088361 -0.017140 0.034100 3C 3px 0.027344 -0.005016 0.040077 0.049921 -0.003503 -0.009370 3C 3py 0.029064 0.021518 -0.033954 0.002802 0.019284 0.035209 3C 1dz2 -0.001529 0.000146 0.004618 0.010552 0.007983 -0.002355 3C 1dxz 0.004398 0.001544 -0.010652 -0.018560 -0.011521 0.007036 3C 1dyz 0.004241 -0.000226 0.022302 0.040022 0.027911 -0.010329 3C 1dx2y2 0.004604 -0.000407 0.023479 0.034224 0.024764 -0.004394 3C 1dxy -0.008603 0.000709 0.017755 0.034206 0.022192 -0.009257 3C 2dz2 -0.023424 0.001260 0.049298 0.070253 0.041779 -0.000788 3C 2dxz 0.034536 -0.009815 -0.074258 -0.110362 -0.061004 0.035177 3C 2dyz 0.023706 -0.015545 0.273298 0.384695 0.218417 -0.100765 3C 2dx2y2 0.035146 -0.007899 0.170518 0.235095 0.143736 -0.014722 3C 2dxy -0.032229 0.011709 0.145354 0.206998 0.123168 -0.038243 3C 1f0 -0.002439 0.001935 0.021439 0.028418 0.016105 0.001807 3C 1f+1 -0.004488 0.002146 -0.003329 -0.010517 -0.004240 0.017093 3C 1f-1 0.008380 -0.003865 0.004403 0.000671 -0.000311 -0.006661 3C 1f+2 0.018486 -0.010225 0.021289 0.040279 0.018277 -0.017657 3C 1f-2 -0.009091 0.001118 0.022590 0.052183 0.026140 -0.020982 3C 1f+3 0.017797 -0.007495 -0.023913 -0.051567 -0.028692 0.015642 3C 1f-3 0.025475 -0.011426 0.018649 0.030093 0.021407 0.006671 4C 1s -0.001429 -0.000364 -0.001220 0.002635 0.001986 0.011369 4C 2s -0.001941 -0.000544 0.001304 -0.003586 0.003076 0.007710 4C 3s -0.020344 -0.001848 -0.456028 0.777265 -0.033855 0.809832 4C 4s 0.182417 0.014924 2.245079 -3.651608 0.095850 -4.025818 4C 5s -0.169295 0.109712 0.369192 -0.416219 0.041948 -0.706936 4C 1pz -0.014863 0.018807 0.038150 -0.035811 -0.007174 -0.050094 4C 1px 0.054985 -0.053578 0.005780 -0.007263 -0.005452 -0.009327 4C 1py 0.012248 -0.009393 0.023618 -0.017935 0.005691 -0.034276 4C 2pz -0.103566 0.032643 -0.293453 0.193756 -0.124069 0.074054 4C 2px 0.360634 -0.024619 -0.086951 0.037570 -0.070462 0.058777 4C 2py 0.069270 0.014743 -0.197748 0.170937 0.112125 -0.000095 4C 3pz 0.266125 -0.082133 0.453368 -0.542332 0.089842 -0.491842 4C 3px -0.132554 0.096150 0.048738 -0.024655 0.067637 -0.053381 4C 3py 0.117122 -0.014968 0.317298 -0.406349 -0.092131 -0.296423 4C 1dz2 -0.017984 0.009260 -0.023303 0.012233 -0.019358 0.062240 4C 1dxz 0.028367 -0.026468 -0.026328 0.043219 -0.004193 0.085023 4C 1dyz 0.000765 -0.000854 -0.004221 -0.025353 0.018232 -0.016629 4C 1dx2y2 0.008278 0.004712 0.046997 -0.081508 -0.026159 -0.136738 4C 1dxy 0.030188 -0.016369 0.021265 -0.037629 -0.006192 -0.069587 4C 2dz2 -0.157206 -0.014549 0.288137 -0.351279 -0.049251 -0.298969 4C 2dxz 0.214554 0.010851 0.076334 -0.093233 -0.009086 0.029258 4C 2dyz -0.000328 0.000823 0.529629 -0.673930 0.073976 -0.745523 4C 2dx2y2 0.055244 0.006049 -0.029723 -0.058836 -0.082554 -0.137646 4C 2dxy 0.187566 0.012968 0.155017 -0.255910 -0.011740 -0.304260 4C 1f0 0.073516 -0.025040 -0.036408 0.062657 0.010258 0.098068 4C 1f+1 -0.083204 0.019632 -0.034582 0.128092 0.067377 0.142884 4C 1f-1 0.007886 0.002600 -0.009723 0.033439 -0.009627 0.048391 4C 1f+2 -0.062046 0.027271 0.041717 -0.106492 -0.032491 -0.146053 4C 1f-2 -0.075074 0.013731 0.014275 -0.010594 -0.068798 0.001378 4C 1f+3 -0.098714 0.032342 0.014002 0.019539 0.079543 -0.050158 4C 1f-3 -0.041593 0.013403 -0.036816 0.067955 -0.076138 0.162128 5C 1s 0.000809 0.000049 -0.001126 -0.005135 -0.010468 0.002727 5C 2s 0.000855 -0.000002 0.002074 0.001576 -0.008759 0.001933 5C 3s 0.018536 0.003741 -0.507133 -0.919367 -0.584368 0.202563 5C 4s -0.109083 -0.026870 2.467444 4.370564 2.974143 -1.014143 5C 5s -0.103806 0.063822 0.398014 0.584052 0.561279 -0.076269 5C 1pz -0.008263 0.017480 0.020136 0.022524 0.026064 0.003680 5C 1px 0.022927 -0.053120 0.017253 0.017012 0.014147 -0.008427 5C 1py 0.004565 -0.009454 -0.038152 -0.042750 -0.042554 0.017493 5C 2pz -0.072238 0.021106 -0.153596 -0.063657 0.041322 0.159295 5C 2px 0.126921 -0.014516 -0.109697 -0.091764 -0.014722 0.062761 5C 2py 0.068003 -0.014944 0.334883 0.229253 0.039403 0.088148 5C 3pz -0.038423 -0.058699 0.318326 0.388105 0.170795 -0.214457 5C 3px -0.120619 0.066532 0.179529 0.196182 0.115926 -0.048008 5C 3py 0.086842 0.068908 -0.480091 -0.604086 -0.321505 0.052819 5C 1dz2 -0.000727 0.010012 -0.021105 -0.063213 -0.061102 0.048245 5C 1dxz 0.012040 -0.012468 -0.031795 -0.058230 -0.071506 0.030744 5C 1dyz 0.006050 -0.010912 -0.012921 -0.055877 -0.037692 -0.004615 5C 1dx2y2 0.000370 -0.011030 0.048052 0.093904 0.112252 -0.011918 5C 1dxy -0.017307 0.022444 0.017038 0.018105 0.038118 0.000367 5C 2dz2 -0.030615 -0.005604 -0.185775 -0.324082 -0.252770 0.164739 5C 2dxz 0.084742 0.014732 0.100398 0.071646 -0.002941 0.047826 5C 2dyz 0.052657 0.012658 -0.528498 -0.787127 -0.552979 0.139550 5C 2dx2y2 0.023532 0.009808 -0.217341 -0.213177 -0.045501 0.096746 5C 2dxy -0.091782 -0.024021 -0.297058 -0.360790 -0.213569 0.063237 5C 1f0 0.015324 -0.020258 -0.019810 -0.048650 -0.058460 -0.026965 5C 1f+1 -0.001264 0.012448 -0.040803 -0.100859 -0.106147 -0.069227 5C 1f-1 -0.007887 0.002730 -0.011271 0.002298 -0.002491 -0.054018 5C 1f+2 -0.037173 0.027609 0.007015 0.050774 0.039755 0.068991 5C 1f-2 -0.006488 0.004659 0.038015 0.104006 0.094245 -0.042377 5C 1f+3 -0.045742 0.032642 -0.043842 -0.117984 -0.110817 0.026069 5C 1f-3 -0.046792 0.020012 0.043058 0.143596 0.120085 -0.130327 6C 1s 0.000823 -0.000058 -0.001108 0.001716 0.011555 -0.002700 6C 2s 0.000888 -0.000009 0.002086 0.006291 0.006323 -0.002065 6C 3s 0.017810 -0.003991 -0.505497 -0.425861 1.005929 -0.187449 6C 4s -0.106596 0.028785 2.459589 1.911656 -4.944380 0.946097 6C 5s -0.105736 -0.065355 0.399174 0.159440 -0.794952 0.070403 6C 1pz 0.008405 0.017512 -0.020240 -0.003513 0.034182 0.003765 6C 1px -0.023033 -0.053278 -0.016833 -0.006055 0.021570 -0.008054 6C 1py -0.004652 -0.009444 0.037979 0.011181 -0.059382 0.017207 6C 2pz 0.072800 0.020875 0.151416 0.080421 -0.003140 0.158734 6C 2px -0.129436 -0.012600 0.109533 0.068183 -0.065380 0.062738 6C 2py -0.068111 -0.015041 -0.333759 -0.165251 0.160553 0.091541 6C 3pz 0.039039 -0.059580 -0.317976 -0.223764 0.366074 -0.208142 6C 3px 0.117833 0.067072 -0.179498 -0.094364 0.208089 -0.044648 6C 3py -0.087033 0.069814 0.482305 0.310209 -0.613829 0.044315 6C 1dz2 -0.000779 -0.009982 -0.020708 -0.018046 0.086720 -0.047354 6C 1dxz 0.012134 0.012327 -0.031629 -0.007670 0.092238 -0.030226 6C 1dyz 0.006100 0.010833 -0.012981 -0.024225 0.062661 0.005725 6C 1dx2y2 0.000263 0.010947 0.047872 0.013261 -0.145888 0.010931 6C 1dxy -0.017622 -0.022360 0.017143 -0.006893 -0.041573 -0.000426 6C 2dz2 -0.030474 0.005761 -0.184724 -0.125384 0.394034 -0.160131 6C 2dxz 0.084493 -0.015137 0.100487 0.060095 -0.037569 -0.048917 6C 2dyz 0.052510 -0.013190 -0.526781 -0.333510 0.904133 -0.128243 6C 2dx2y2 0.024072 -0.010026 -0.215351 -0.151522 0.158683 -0.094194 6C 2dxy -0.091915 0.024456 -0.296299 -0.176618 0.381435 -0.058068 6C 1f0 -0.015501 -0.020237 0.020096 0.005793 -0.075697 -0.027487 6C 1f+1 0.001360 0.012366 0.041340 0.020567 -0.144023 -0.070980 6C 1f-1 0.007907 0.002811 0.011475 -0.004510 -0.000035 -0.054179 6C 1f+2 0.037292 0.027597 -0.007692 -0.017349 0.061090 0.069731 6C 1f-2 0.006413 0.004380 -0.037611 -0.032537 0.137009 -0.040613 6C 1f+3 0.045816 0.032640 0.043534 0.034249 -0.158229 0.023670 6C 1f-3 0.046499 0.019971 -0.042297 -0.052189 0.181838 -0.128431 7C 1s -0.001465 0.000370 -0.001141 0.000728 -0.003027 -0.011448 7C 2s -0.002000 0.000553 0.001349 -0.004917 -0.000395 -0.007614 7C 3s -0.019696 0.002111 -0.449562 0.636830 -0.407131 -0.833581 7C 4s 0.181477 -0.016231 2.213473 -2.949497 1.960730 4.138917 7C 5s -0.172130 -0.112284 0.364690 -0.347327 0.200086 0.720042 7C 1pz 0.014868 0.018965 -0.037532 0.023931 -0.025711 -0.051083 7C 1px -0.055101 -0.053886 -0.005965 0.002578 -0.008180 -0.009442 7C 1py -0.012250 -0.009381 -0.023567 0.017250 -0.005179 -0.035279 7C 2pz 0.104379 0.032353 0.289908 -0.226709 0.004527 0.081029 7C 2px -0.365342 -0.024296 0.085570 -0.069205 -0.036911 0.060508 7C 2py -0.070446 0.014841 0.199764 -0.080261 0.189416 0.005579 7C 3pz -0.268255 -0.083748 -0.450427 0.484144 -0.233840 -0.511270 7C 3px 0.132851 0.097217 -0.048234 0.055675 0.042281 -0.054379 7C 3py -0.119403 -0.015749 -0.315199 0.272166 -0.306091 -0.309032 7C 1dz2 -0.018229 -0.009150 -0.022790 0.019309 0.009328 -0.063231 7C 1dxz 0.028585 0.026512 -0.025637 0.035623 -0.020453 -0.086629 7C 1dyz 0.000823 0.000889 -0.004492 -0.030629 -0.000580 0.017479 7C 1dx2y2 0.008505 -0.004891 0.046086 -0.048447 0.066858 0.138867 7C 1dxy 0.030390 0.016359 0.020914 -0.025603 0.025740 0.070760 7C 2dz2 -0.158426 0.014455 0.283770 -0.250684 0.235643 0.305950 7C 2dxz 0.215328 -0.010926 0.074823 -0.071264 0.059933 -0.027870 7C 2dyz -0.001261 -0.001198 0.524159 -0.577613 0.316930 0.769279 7C 2dx2y2 0.055306 -0.006054 -0.031770 0.004269 0.099981 0.135944 7C 2dxy 0.189323 -0.012967 0.152574 -0.195825 0.152417 0.312483 7C 1f0 -0.073371 -0.025203 0.035284 -0.042584 0.043532 0.099225 7C 1f+1 0.083267 0.019742 0.033537 -0.062852 0.126641 0.145390 7C 1f-1 -0.007897 0.002434 0.009384 -0.031828 0.010442 0.049585 7C 1f+2 0.062220 0.027364 -0.041081 0.065647 -0.086695 -0.148906 7C 1f-2 0.075213 0.014034 -0.014734 -0.029964 -0.062716 0.001913 7C 1f+3 0.099472 0.032592 -0.013597 0.027925 0.076734 -0.051128 7C 1f-3 0.041903 0.013355 0.035333 -0.094819 -0.024898 0.165506 8C 1s -0.000219 -0.000199 0.001841 0.001228 -0.004825 0.001090 8C 2s -0.000486 -0.000417 -0.000640 -0.000711 -0.002347 0.000333 8C 3s 0.010929 0.012674 0.203598 0.169580 -0.316341 0.071141 8C 4s -0.048856 -0.044220 -1.239028 -0.931895 1.992083 -0.420768 8C 5s -0.005802 0.163134 0.327450 0.323157 -0.519360 0.223014 8C 1pz -0.003631 -0.000940 -0.014520 -0.010575 0.013371 -0.002511 8C 1px 0.003733 0.003287 -0.011560 -0.009848 0.012976 -0.002566 8C 1py 0.000373 0.001292 0.029068 0.022738 -0.029300 0.003470 8C 2pz 0.035382 0.001142 0.476369 0.307887 -0.690715 0.119222 8C 2px -0.028679 -0.006814 0.309212 0.225859 -0.480384 0.104581 8C 2py -0.011950 -0.016323 -0.802661 -0.548038 1.189713 -0.211401 8C 3pz 0.010678 -0.015016 0.046659 0.063472 -0.063848 0.032277 8C 3px -0.026655 -0.005222 -0.041503 -0.044349 0.027549 -0.008748 8C 3py -0.028796 0.021957 0.033410 0.007935 0.016897 0.034836 8C 1dz2 -0.001536 -0.000165 0.004606 0.004164 -0.012597 0.002186 8C 1dxz 0.004365 -0.001539 -0.010615 -0.008825 0.020130 -0.006834 8C 1dyz 0.004290 0.000255 0.022203 0.017214 -0.045785 0.009636 8C 1dx2y2 0.004610 0.000449 0.023325 0.014064 -0.039703 0.003829 8C 1dxy -0.008622 -0.000706 0.017722 0.015657 -0.037892 0.008791 8C 2dz2 -0.023081 -0.001099 0.049533 0.033952 -0.074906 -0.000075 8C 2dxz 0.034639 0.009805 -0.073607 -0.056421 0.112514 -0.033748 8C 2dyz 0.023647 0.015887 0.272205 0.193639 -0.399645 0.094799 8C 2dx2y2 0.034999 0.008000 0.170237 0.111756 -0.252215 0.011521 8C 2dxy -0.031956 -0.011592 0.144586 0.100332 -0.218967 0.035150 8C 1f0 0.002485 0.001948 -0.021408 -0.014071 0.029367 0.002217 8C 1f+1 0.004533 0.002159 0.003274 0.006573 -0.009636 0.016731 8C 1f-1 -0.008325 -0.003896 -0.004325 -0.000918 0.000163 -0.006663 8C 1f+2 -0.018526 -0.010290 -0.021046 -0.023023 0.037925 -0.016718 8C 1f-2 0.008961 0.001063 -0.022416 -0.028471 0.051491 -0.020037 8C 1f+3 -0.017611 -0.007408 0.023871 0.026294 -0.053166 0.014792 8C 1f-3 -0.025507 -0.011517 -0.018543 -0.012360 0.034531 0.007334 9C 1s -0.000385 -0.000329 0.001671 -0.002273 0.001771 0.004170 9C 2s -0.000890 -0.000639 -0.000619 0.000154 0.000299 0.002391 9C 3s 0.029372 0.015441 0.185188 -0.233431 0.146996 0.248365 9C 4s -0.095863 -0.053039 -1.131440 1.349138 -0.864701 -1.603884 9C 5s 0.515758 0.208810 0.287961 -0.405230 0.360968 0.392288 9C 1pz -0.003585 -0.001560 -0.026218 0.028275 -0.012716 -0.020295 9C 1px 0.013372 0.003460 -0.008086 0.008857 -0.003934 -0.007427 9C 1py 0.004928 0.000369 -0.016515 0.017693 -0.009715 -0.012736 9C 2pz 0.057197 0.016374 0.731549 -0.804290 0.482862 0.958750 9C 2px -0.110950 -0.004618 0.167081 -0.183324 0.117885 0.236148 9C 2py -0.035929 0.000690 0.497541 -0.543397 0.336386 0.656504 9C 3pz -0.072073 -0.025117 -0.010417 -0.031097 -0.020988 0.032636 9C 3px -0.030480 -0.007189 -0.074817 0.082998 -0.058793 -0.037835 9C 3py -0.045970 -0.017532 0.005813 -0.014286 0.025993 0.020847 9C 1dz2 -0.011427 -0.000713 -0.015197 0.022295 -0.014002 -0.029110 9C 1dxz 0.020113 0.000733 -0.015658 0.014154 -0.006225 -0.024122 9C 1dyz -0.003820 0.000230 -0.024258 0.033397 -0.023879 -0.046781 9C 1dx2y2 0.000928 0.001459 0.010073 -0.011487 0.008642 0.014993 9C 1dxy 0.014577 0.000486 -0.007388 0.006814 -0.004916 -0.013461 9C 2dz2 -0.064591 -0.012717 -0.162405 0.196180 -0.091857 -0.219363 9C 2dxz 0.115779 0.021562 -0.056634 0.055199 -0.002034 -0.073435 9C 2dyz -0.018126 -0.012285 -0.270620 0.301296 -0.198823 -0.357107 9C 2dx2y2 0.002105 -0.001344 0.063372 -0.066148 0.056651 0.077862 9C 2dxy 0.064944 0.009239 -0.053675 0.044267 -0.036580 -0.064744 9C 1f0 0.046077 0.010619 0.001965 -0.017026 -0.000935 0.011684 9C 1f+1 -0.033832 -0.005254 0.018897 -0.026839 0.008200 0.038732 9C 1f-1 0.020419 0.005221 0.029979 -0.044319 0.029543 0.045858 9C 1f+2 -0.030214 -0.009874 -0.016032 0.032422 -0.029949 -0.033426 9C 1f-2 -0.052143 -0.009692 0.017178 -0.019564 0.014880 0.027599 9C 1f+3 -0.031262 -0.007969 0.010689 -0.007341 -0.007157 0.012849 9C 1f-3 0.013305 0.003592 0.006197 -0.009557 0.021500 0.013452 10H 1s 0.029230 -0.010827 0.003958 -0.016384 -0.007027 -0.005496 10H 2s 0.006837 -0.003142 -0.011301 -0.040080 -0.010718 -0.030804 10H 3s -0.055164 0.030655 -0.072621 0.173135 -0.003297 0.106963 10H 1pz -0.003593 0.002899 -0.006012 -0.000235 -0.005344 0.003220 10H 1px -0.014231 0.003653 0.003970 0.014153 0.003760 0.006585 10H 1py -0.002009 0.002358 -0.002135 0.002202 -0.000216 0.000765 11H 1s 0.003550 -0.003154 -0.013179 0.013651 -0.001152 0.014676 11H 2s -0.043351 0.022956 -0.008175 0.006918 0.033381 0.002069 11H 3s -0.051429 0.023696 0.028347 0.021125 0.009605 0.040719 11H 1pz -0.003949 0.001984 0.013881 -0.020462 0.007792 -0.020412 11H 1px -0.004681 0.001335 -0.006845 0.005719 0.002032 0.004666 11H 1py 0.005133 -0.001403 0.016529 -0.019236 -0.002217 -0.018338 12H 1s 0.004330 -0.002963 -0.005572 0.003568 -0.010617 0.007865 12H 2s -0.011335 0.012542 -0.021329 0.003738 -0.006572 0.022926 12H 3s -0.070780 0.025680 -0.001133 0.063705 0.013790 0.052929 12H 1pz 0.005810 -0.000786 0.014316 -0.015518 0.002802 -0.014831 12H 1px 0.000400 -0.000315 -0.007416 0.006775 0.000091 0.007553 12H 1py 0.002368 -0.001884 -0.001908 -0.006282 -0.005804 0.000830 13H 1s 0.011445 -0.008466 0.006125 0.010611 0.003134 -0.012562 13H 2s 0.007451 -0.003405 -0.014975 0.034656 0.009276 -0.024870 13H 3s -0.031516 0.019855 -0.069400 -0.173250 -0.052012 0.053287 13H 1pz -0.000186 0.000748 -0.004351 0.005466 0.000836 -0.005592 13H 1px -0.007904 0.002594 0.003599 -0.008232 -0.001074 0.007520 13H 1py 0.001158 -0.002978 0.005566 0.004553 0.003776 0.003966 14H 1s -0.005783 -0.001464 -0.006134 -0.003932 -0.005828 -0.013778 14H 2s -0.026322 0.007097 -0.027622 -0.003866 -0.015613 -0.007487 14H 3s 0.014169 0.019193 -0.019776 -0.087068 -0.042910 0.035567 14H 1pz -0.002905 -0.002563 0.001205 0.007779 0.001614 -0.008413 14H 1px -0.005318 -0.002204 -0.012320 -0.006146 -0.007364 -0.004324 14H 1py -0.003332 0.001811 -0.010801 -0.010153 -0.006886 -0.000462 15H 1s 0.004874 -0.002238 -0.015579 -0.019366 -0.012288 0.000900 15H 2s 0.004542 0.016521 -0.001072 0.010529 0.010276 0.034088 15H 3s -0.018857 0.019030 0.028294 -0.021334 -0.039820 0.015203 15H 1pz -0.000112 -0.000835 0.021174 0.025011 0.014629 -0.007727 15H 1px -0.002005 -0.000226 0.003006 0.006508 0.004714 -0.001591 15H 1py -0.002764 -0.002011 -0.016327 -0.027398 -0.017396 -0.001133 16H 1s 0.009394 -0.000432 -0.101012 0.024851 -0.012174 -0.013772 16H 2s -0.049332 -0.060133 -0.182453 0.044134 0.008955 0.010396 16H 3s -0.062004 -0.006914 0.051470 0.021745 -0.002498 0.032133 16H 1pz -0.011033 -0.017681 -0.120882 0.023319 -0.003615 -0.016123 16H 1px 0.053063 0.000946 0.011604 -0.001014 0.001667 0.001402 16H 1py 0.022820 -0.010795 -0.075896 0.010668 -0.005944 -0.012199 17H 1s 0.017350 0.000439 -0.100255 -0.014612 -0.008093 -0.005933 17H 2s 0.041220 -0.061858 -0.180424 -0.010531 0.020279 0.015163 17H 3s 0.031888 -0.005713 0.053136 -0.013493 0.031988 -0.006167 17H 1pz -0.003278 0.010327 0.071984 0.006445 0.002752 -0.004075 17H 1px -0.042386 0.013203 0.080471 0.005735 0.005268 -0.004760 17H 1py -0.011553 -0.013451 -0.095443 -0.008399 -0.011640 0.000853 18H 1s 0.017713 -0.000457 -0.100392 -0.006895 0.013442 0.007321 18H 2s 0.037943 0.062013 -0.180843 -0.019007 -0.010949 -0.015230 18H 3s 0.033194 0.005690 0.053316 -0.028456 -0.018245 0.007250 18H 1pz 0.001766 0.010660 -0.074514 -0.003385 0.005442 -0.003783 18H 1px 0.042380 0.013245 -0.081097 -0.001385 0.006994 -0.004732 18H 1py 0.012519 -0.013104 0.093349 0.000025 -0.013467 0.000479 19H 1s 0.009150 0.000608 -0.101066 0.027724 -0.006012 0.013278 19H 2s -0.053351 0.060560 -0.182462 0.031921 -0.033564 -0.012697 19H 3s -0.061037 0.006819 0.051698 0.018370 -0.010519 -0.032360 19H 1pz 0.012823 -0.017796 0.119262 -0.021904 0.011434 -0.015068 19H 1px -0.052553 0.001066 -0.012763 0.002017 0.000700 0.001412 19H 1py -0.022600 -0.011094 0.078505 -0.012834 0.002313 -0.011827 20H 1s 0.004943 0.002282 -0.015458 -0.008810 0.021023 -0.000744 20H 2s 0.004630 -0.016951 -0.001244 0.002024 -0.013430 -0.034111 20H 3s -0.019778 -0.019464 0.028143 0.004639 0.045332 -0.014574 20H 1pz 0.000182 -0.000871 -0.021086 -0.012310 0.026320 -0.007387 20H 1px 0.001969 -0.000182 -0.002779 -0.002583 0.007323 -0.001454 20H 1py 0.002796 -0.002050 0.016190 0.012529 -0.029641 -0.001596 21H 1s -0.005628 0.001551 -0.006367 0.000248 0.007157 0.013564 21H 2s -0.026438 -0.007473 -0.027449 0.005722 0.015283 0.007154 21H 3s 0.013678 -0.019704 -0.018519 -0.046559 0.084334 -0.033216 21H 1pz 0.002952 -0.002527 -0.001192 -0.005679 0.005887 -0.008293 21H 1px 0.005249 -0.002131 0.012261 0.000831 -0.009570 -0.004166 21H 1py 0.003319 0.001761 0.011077 0.004611 -0.011864 -0.000500 22H 1s 0.011532 0.008603 0.006106 0.007296 -0.008938 0.012090 22H 2s 0.007534 0.003485 -0.015057 0.023737 -0.028422 0.023771 22H 3s -0.031533 -0.020351 -0.069453 -0.114179 0.142968 -0.049651 22H 1pz 0.000165 0.000716 0.004396 -0.004059 0.003890 -0.005183 22H 1px 0.007968 0.002658 -0.003551 0.006455 -0.005963 0.007249 22H 1py -0.001072 -0.002938 -0.005679 -0.001510 0.005640 0.004016 23H 1s 0.004723 0.003042 -0.005829 0.008978 0.006110 -0.008432 23H 2s -0.012583 -0.013400 -0.020515 0.006400 0.003359 -0.023549 23H 3s -0.071759 -0.026208 0.000880 0.040998 -0.045429 -0.053631 23H 1pz -0.005679 -0.000736 -0.014595 0.014452 -0.006755 -0.015967 23H 1px -0.000254 -0.000205 0.007204 -0.005216 0.004036 0.007631 23H 1py -0.002173 -0.001639 0.001670 0.002014 -0.008220 0.000671 24H 1s 0.003628 0.003233 -0.012862 0.011116 -0.006940 -0.014783 24H 2s -0.043841 -0.023115 -0.008684 -0.013168 -0.030884 -0.003044 24H 3s -0.052489 -0.024374 0.028064 0.012125 -0.019308 -0.041578 24H 1pz 0.003899 0.001900 -0.013489 0.020485 -0.004905 -0.020708 24H 1px 0.004829 0.001349 0.007081 -0.003553 0.005106 0.005244 24H 1py -0.005116 -0.001343 -0.016175 0.013798 -0.012489 -0.018667 25H 1s 0.029637 0.011041 0.003963 -0.009562 0.014571 0.006162 25H 2s 0.007105 0.003192 -0.011279 -0.026389 0.031050 0.032275 25H 3s -0.056350 -0.031359 -0.072201 0.142480 -0.094325 -0.112749 25H 1pz 0.003385 0.002862 0.006019 -0.002665 -0.004434 0.003247 25H 1px 0.014394 0.003745 -0.003904 -0.009534 0.010790 0.007162 25H 1py 0.002233 0.002433 0.002196 -0.002155 0.001459 0.001065 26O 1s 0.000390 -0.001638 -0.000245 -0.000824 0.001049 0.002981 26O 2s 0.000368 -0.005345 -0.001088 -0.001038 0.003324 0.011343 26O 3s 0.020845 0.066990 0.019170 -0.034463 -0.043263 -0.202387 26O 4s -0.112563 -0.240684 0.133870 0.003091 0.147093 0.521277 26O 5s -0.436752 0.363039 -1.276126 1.623028 -0.241321 1.107332 26O 1pz -0.005552 0.008368 0.018185 -0.028048 -0.016507 -0.020266 26O 1px -0.013326 0.001262 -0.042391 0.054896 -0.013670 0.068573 26O 1py -0.005829 0.006411 -0.004570 0.020714 0.031177 0.002168 26O 2pz 0.097497 -0.067668 -0.039249 0.048653 0.062273 0.002286 26O 2px 0.157893 0.018186 0.233528 -0.415090 0.033984 -0.581615 26O 2py 0.111073 -0.036990 0.064706 -0.193811 -0.131338 -0.174975 26O 3pz -0.234321 0.202766 -0.477140 0.483513 -0.160118 0.249900 26O 3px 0.343421 -0.178824 0.170356 -0.359250 -0.053460 -0.445846 26O 3py 0.021328 0.059151 -0.224934 0.214974 0.040516 -0.045172 26O 1dz2 0.069516 -0.075350 0.190230 -0.203628 0.065494 -0.264799 26O 1dxz -0.389379 0.261734 -0.171280 0.267102 0.069286 0.219380 26O 1dyz 0.121035 -0.182836 0.314128 -0.325987 0.016462 -0.356158 26O 1dx2y2 0.267808 -0.200267 0.076684 -0.054102 0.115171 -0.091730 26O 1dxy -0.020654 -0.037900 0.035885 -0.031469 -0.078516 0.032136 26O 2dz2 -0.017879 0.044867 -0.116176 0.085012 -0.067057 0.091639 26O 2dxz 0.208038 -0.161710 0.157851 -0.240935 -0.080385 -0.190933 26O 2dyz -0.112481 0.136040 -0.248761 0.259412 -0.018682 0.272074 26O 2dx2y2 -0.199845 0.141632 -0.118718 0.137640 -0.128790 0.247794 26O 2dxy -0.054564 0.045349 -0.066392 0.124509 0.109659 0.089428 26O 1f0 -0.038670 0.014666 0.022584 -0.038979 -0.003880 -0.023424 26O 1f+1 -0.019260 -0.004005 -0.010661 0.029922 0.027165 0.050844 26O 1f-1 -0.063190 0.035948 -0.020862 0.051398 0.040873 0.079669 26O 1f+2 0.048114 0.003802 -0.038615 0.056897 0.046168 0.003815 26O 1f-2 0.041097 -0.033458 -0.000310 0.031923 0.013150 0.026648 26O 1f+3 0.009176 0.013093 -0.040567 0.027471 -0.092142 0.102370 26O 1f-3 -0.058445 0.035147 -0.028280 0.033123 0.026472 0.060413 27O 1s 0.000107 -0.001525 -0.000014 0.000152 -0.003034 0.000744 27O 2s 0.000267 -0.004956 -0.000512 -0.001437 -0.010977 0.002783 27O 3s -0.000631 0.061023 0.017686 0.076831 0.185137 -0.048346 27O 4s -0.003231 -0.223292 0.128990 -0.113636 -0.511967 0.113880 27O 5s -0.039423 0.365328 -1.394270 -1.773399 -0.656367 0.275767 27O 1pz -0.003906 0.006186 0.017969 0.028651 0.023793 0.028553 27O 1px -0.003295 0.004350 -0.045555 -0.069378 -0.045161 0.024033 27O 1py -0.006229 -0.009046 -0.009913 -0.013620 -0.005272 0.028004 27O 2pz 0.027638 -0.047235 -0.054752 -0.095761 -0.083739 -0.114601 27O 2px 0.030721 -0.001253 0.271276 0.555002 0.457540 -0.170977 27O 2py -0.008492 0.065564 -0.008921 -0.051204 -0.072116 -0.083781 27O 3pz -0.135327 0.136893 -0.345787 -0.373936 -0.074760 0.163351 27O 3px 0.063554 -0.165224 0.142113 0.363458 0.366600 -0.071877 27O 3py 0.021643 -0.156976 0.458411 0.436873 0.053954 0.022133 27O 1dz2 -0.019935 0.120983 -0.109726 -0.106960 -0.065332 -0.002452 27O 1dxz -0.108225 0.175285 -0.116100 -0.158041 -0.116969 -0.121418 27O 1dyz -0.135898 0.281448 -0.389651 -0.487064 -0.307224 0.162280 27O 1dx2y2 0.064776 -0.057745 -0.082534 -0.148568 -0.119044 -0.038616 27O 1dxy 0.108031 -0.122265 0.036112 0.076911 0.052547 -0.095581 27O 2dz2 0.021185 -0.096838 0.128903 0.182272 0.138567 -0.025566 27O 2dxz 0.066612 -0.110268 0.117306 0.188105 0.147206 0.138424 27O 2dyz 0.095659 -0.196094 0.316817 0.389169 0.231364 -0.144449 27O 2dx2y2 -0.044866 0.053070 -0.001450 -0.049687 -0.058781 0.103736 27O 2dxy -0.045659 0.060561 -0.017066 -0.034631 -0.005256 0.111596 27O 1f0 0.017081 -0.021316 0.039601 0.087561 0.075999 0.037186 27O 1f+1 -0.012936 0.028654 -0.023904 -0.033015 -0.043593 0.010804 27O 1f-1 -0.002065 -0.023711 0.009846 0.009391 0.023826 0.034450 27O 1f+2 0.013230 -0.020075 -0.019356 -0.032035 -0.005181 -0.065253 27O 1f-2 0.001094 0.030241 -0.025253 0.002170 0.019054 0.046776 27O 1f+3 -0.004597 0.015197 -0.029267 -0.077770 -0.069130 0.090766 27O 1f-3 0.035992 -0.033429 -0.008370 -0.028998 0.020019 0.043310 28O 1s 0.000032 0.001317 -0.000165 -0.000798 0.000919 0.002978 28O 2s 0.000394 0.004264 -0.000927 -0.000988 0.002844 0.011252 28O 3s -0.017100 -0.051843 0.021068 -0.034080 -0.036426 -0.204635 28O 4s 0.076628 0.200105 0.110984 -0.012752 0.126960 0.552559 28O 5s 0.203446 -0.365390 -1.272606 1.619264 -0.212005 1.090806 28O 1pz 0.002596 -0.010935 -0.014574 0.013571 -0.021565 0.025893 28O 1px -0.005474 0.000911 0.042377 -0.061843 -0.010150 -0.060039 28O 1py -0.004606 -0.005285 0.006368 -0.001902 0.032739 -0.017652 28O 2pz -0.114041 0.065471 0.131332 -0.219540 0.071828 -0.368177 28O 2px 0.053969 0.021891 -0.214233 0.386289 0.056301 0.483784 28O 2py -0.034610 0.044112 0.001489 -0.040188 -0.129033 0.000162 28O 3pz 0.032118 -0.054784 -0.287087 0.187296 -0.160982 -0.115349 28O 3px 0.326585 -0.236209 -0.329880 0.450442 -0.068537 0.492711 28O 3py 0.096923 -0.126142 -0.318213 0.344235 0.032047 0.086887 28O 1dz2 0.185265 -0.088108 0.010662 0.028016 0.115297 -0.003734 28O 1dxz -0.060100 0.016845 0.078438 -0.134506 -0.009283 -0.154274 28O 1dyz -0.105983 0.179109 0.269685 -0.323707 -0.072429 -0.274778 28O 1dx2y2 -0.308400 0.214034 0.108727 -0.103114 0.013140 -0.115570 28O 1dxy -0.332065 0.261325 0.229636 -0.252381 0.112520 -0.315382 28O 2dz2 -0.080474 0.042767 -0.010585 -0.042172 -0.134869 0.010703 28O 2dxz -0.007314 0.016839 -0.004520 -0.009492 0.010114 -0.067492 28O 2dyz 0.106211 -0.134935 -0.225909 0.276243 0.086874 0.220323 28O 2dx2y2 0.207508 -0.152791 -0.130745 0.182494 0.003880 0.223331 28O 2dxy 0.197615 -0.170379 -0.184266 0.193908 -0.135706 0.246486 28O 1f0 -0.008581 0.006424 -0.006914 0.046667 0.065576 0.017580 28O 1f+1 0.059930 -0.033877 0.002409 -0.041573 -0.043786 0.028991 28O 1f-1 0.015409 0.006012 0.009847 0.018277 -0.010662 0.049010 28O 1f+2 -0.051009 0.037275 0.029223 -0.047618 0.013259 -0.097947 28O 1f-2 0.058388 -0.046295 -0.017669 0.020278 0.078007 0.024914 28O 1f+3 0.008928 0.009323 0.026055 -0.043733 0.001465 -0.039287 28O 1f-3 0.011702 0.021180 0.030852 -0.031196 0.049823 -0.037056 29O 1s -0.000480 0.001637 0.004766 -0.000089 0.000626 0.000533 29O 2s -0.001567 0.004986 0.015477 -0.000384 0.001882 0.001630 29O 3s 0.020188 -0.058836 -0.216604 0.006766 -0.023508 -0.020536 29O 4s -0.047239 0.100244 0.489709 -0.013218 0.060217 0.053527 29O 5s 0.035898 0.022978 -0.028811 -0.025096 -0.074868 -0.067457 29O 1pz -0.000730 -0.005430 0.004649 -0.005801 -0.002224 0.008321 29O 1px 0.005173 0.015935 -0.003651 -0.001640 -0.002627 0.000629 29O 1py -0.002613 0.003875 0.033146 -0.000430 0.005651 0.003441 29O 2pz -0.001416 0.010016 -0.051935 0.037587 0.008377 -0.042509 29O 2px -0.022237 -0.032334 0.094346 0.008997 0.014669 -0.004659 29O 2py 0.016446 -0.025137 -0.188602 0.003243 -0.024734 -0.014690 29O 3pz -0.111398 0.002396 -0.009087 0.022054 -0.036190 0.083205 29O 3px -0.028876 -0.021997 0.019176 -0.001783 -0.031230 0.021429 29O 3py -0.016918 -0.039291 0.004503 0.021513 0.080020 0.045008 29O 1dz2 0.076329 0.015958 -0.024147 0.020856 0.005626 -0.011510 29O 1dxz -0.170449 0.050092 0.037614 -0.016591 0.004718 0.029112 29O 1dyz -0.117649 0.011363 0.009400 0.003424 -0.022929 0.018015 29O 1dx2y2 -0.053344 -0.099362 -0.145446 -0.015531 -0.025252 0.001831 29O 1dxy -0.086294 -0.018986 0.000544 0.009564 0.019260 0.024173 29O 2dz2 -0.056086 -0.010283 0.084846 -0.029506 -0.000101 0.018920 29O 2dxz 0.124321 -0.040851 0.016196 0.020515 0.000771 -0.025881 29O 2dyz 0.100328 -0.008965 0.001046 -0.019281 0.018139 -0.005936 29O 2dx2y2 0.040672 0.086156 0.108406 0.015594 0.020445 -0.003475 29O 2dxy 0.073099 0.011427 -0.054075 -0.012134 -0.019446 -0.018677 29O 1f0 0.021163 -0.011189 -0.102209 0.008248 -0.008121 -0.005814 29O 1f+1 -0.023305 0.006346 0.047820 -0.001895 0.003572 0.003289 29O 1f-1 0.007117 -0.007942 -0.085846 0.018101 -0.008003 -0.006596 29O 1f+2 0.023506 0.007070 0.058369 -0.004229 0.003402 0.002273 29O 1f-2 -0.010142 -0.002807 -0.050192 -0.015873 0.000734 -0.002170 29O 1f+3 -0.020288 0.006463 0.046250 0.001964 -0.001382 -0.000327 29O 1f-3 0.007321 0.005719 0.042862 0.008747 0.002447 0.002230 30O 1s -0.000105 0.001438 -0.000102 0.000186 -0.003261 0.000472 30O 2s 0.000051 0.004742 -0.000716 -0.001345 -0.011696 0.002022 30O 3s -0.013181 -0.059707 0.019081 0.078079 0.194135 -0.043519 30O 4s 0.062169 0.226689 0.136184 -0.123930 -0.532463 0.129982 30O 5s 0.234312 -0.357864 -1.378986 -1.784970 -0.633278 0.292951 30O 1pz 0.009405 -0.004788 -0.010737 -0.020660 -0.009934 0.039805 30O 1px -0.002912 -0.000629 0.046398 0.070522 0.050217 -0.007242 30O 1py -0.001541 0.008845 0.007734 0.015629 0.013487 0.020194 30O 2pz -0.076410 0.026203 0.100737 0.245915 0.195397 -0.208447 30O 2px 0.038728 0.040704 -0.226557 -0.446641 -0.371085 0.085263 30O 2py 0.063329 -0.054875 -0.101904 -0.253233 -0.231497 -0.018670 30O 3pz 0.039485 -0.014743 -0.187131 -0.044935 0.163701 0.074213 30O 3px 0.201038 -0.245301 -0.423857 -0.620611 -0.329218 0.147836 30O 3py 0.052328 0.083470 0.360756 0.244353 -0.094546 0.089437 30O 1dz2 0.077657 -0.223133 -0.211499 -0.270099 -0.189999 -0.093813 30O 1dxz -0.012168 -0.029343 0.068885 0.089688 0.068941 0.042981 30O 1dyz 0.048704 -0.158873 -0.257122 -0.262229 -0.161083 0.088393 30O 1dx2y2 -0.176991 0.225096 0.076979 0.126819 0.068528 -0.090207 30O 1dxy 0.063968 -0.144618 -0.234817 -0.322970 -0.219808 0.144914 30O 2dz2 -0.056194 0.154411 0.198687 0.266126 0.195872 0.120128 30O 2dxz -0.007062 0.031578 -0.008915 0.046809 0.055116 -0.101965 30O 2dyz -0.061489 0.129594 0.232903 0.280836 0.185302 -0.106353 30O 2dx2y2 0.107253 -0.144581 -0.099508 -0.175797 -0.121341 0.101513 30O 2dxy -0.012376 0.081581 0.143402 0.142431 0.055735 -0.114795 30O 1f0 0.004626 -0.014764 -0.024329 -0.015641 -0.014239 -0.024911 30O 1f+1 -0.008664 0.019756 0.041807 0.047695 0.031561 0.069609 30O 1f-1 0.013153 -0.015444 0.004328 0.014588 0.017677 0.089940 30O 1f+2 0.001101 0.003166 0.027211 0.072454 0.063494 -0.043888 30O 1f-2 -0.032216 0.058987 0.027718 0.049707 0.080220 -0.026413 30O 1f+3 0.039544 -0.014139 0.030990 0.032062 -0.012171 -0.040829 30O 1f-3 -0.011034 -0.007810 0.008933 0.031823 0.040038 0.004734 31O 1s -0.000094 -0.001443 -0.000101 0.002006 0.002575 -0.000508 31O 2s 0.000091 -0.004762 -0.000709 0.005533 0.010391 -0.002104 31O 3s -0.013677 0.060066 0.018898 -0.045884 -0.204394 0.043409 31O 4s 0.063096 -0.228012 0.136768 0.199716 0.509185 -0.129986 31O 5s 0.235483 0.357118 -1.378491 -1.106788 1.544315 -0.265311 31O 1pz -0.009487 -0.004830 0.010562 0.012199 -0.020371 0.039619 31O 1px 0.003083 -0.000650 -0.046325 -0.029267 0.081512 -0.006345 31O 1py 0.001630 0.008834 -0.007969 -0.004632 0.019828 0.020356 31O 2pz 0.076564 0.026021 -0.099724 -0.094864 0.303069 -0.205110 31O 2px -0.039308 0.041185 0.225842 0.156061 -0.560226 0.078896 31O 2py -0.063478 -0.054550 0.102482 0.074869 -0.334664 -0.022248 31O 3pz -0.037743 -0.015426 0.185577 0.132871 0.109045 0.072742 31O 3px -0.201076 -0.244545 0.423709 0.323471 -0.626970 0.138518 31O 3py -0.053008 0.084614 -0.360305 -0.252967 0.061236 0.093179 31O 1dz2 0.077816 0.222960 -0.211960 -0.111164 0.309528 0.097450 31O 1dxz -0.011213 0.029856 0.068682 0.033569 -0.106952 -0.045096 31O 1dyz 0.048441 0.158841 -0.256175 -0.125510 0.282459 -0.085166 31O 1dx2y2 -0.175799 -0.224800 0.076270 0.066752 -0.129403 0.088499 31O 1dxy 0.064042 0.144488 -0.233195 -0.143044 0.366460 -0.140308 31O 2dz2 -0.056302 -0.154213 0.199272 0.103909 -0.311593 -0.123948 31O 2dxz -0.007893 -0.031790 -0.009107 0.008940 -0.073332 0.101974 31O 2dyz -0.061467 -0.129461 0.232096 0.127180 -0.313393 0.102901 31O 2dx2y2 0.106402 0.144290 -0.098579 -0.077102 0.200623 -0.098823 31O 2dxy -0.012365 -0.081686 0.142013 0.087973 -0.128432 0.112778 31O 1f0 -0.004911 -0.014778 0.024601 0.004021 -0.020350 -0.024928 31O 1f+1 0.008429 0.019688 -0.042136 -0.019624 0.052300 0.070572 31O 1f-1 -0.013338 -0.015522 -0.004883 0.000213 0.021741 0.090478 31O 1f+2 -0.001122 0.003178 -0.026798 -0.024282 0.093773 -0.042565 31O 1f-2 0.032468 0.058901 -0.027746 0.004467 0.094554 -0.026266 31O 1f+3 -0.039752 -0.014136 -0.030451 -0.034222 0.008507 -0.039949 31O 1f-3 0.011056 -0.007895 -0.008986 -0.003124 0.050762 0.005326 32O 1s -0.000492 -0.001639 0.004775 -0.000447 -0.000410 -0.000528 32O 2s -0.001589 -0.004993 0.015504 -0.001449 -0.001150 -0.001618 32O 3s 0.020046 0.058965 -0.216971 0.019911 0.012995 0.020347 32O 4s -0.047653 -0.100526 0.490645 -0.047655 -0.036132 -0.053062 32O 5s 0.044253 -0.023322 -0.029302 0.022465 0.073625 0.067873 32O 1pz 0.000482 -0.005424 -0.003878 0.003667 -0.005393 0.008090 32O 1px -0.005058 0.015903 0.003947 -0.000216 -0.002773 0.000264 32O 1py 0.002482 0.003947 -0.033307 0.003817 0.003921 0.003568 32O 2pz 0.003038 0.010212 0.047217 -0.026980 0.029439 -0.040914 32O 2px 0.020786 -0.032102 -0.096196 0.001469 0.015793 -0.003764 32O 2py -0.014840 -0.025460 0.189403 -0.018391 -0.015858 -0.015230 32O 3pz 0.111058 0.002947 0.008667 -0.036633 -0.017367 0.083855 32O 3px 0.031399 -0.021869 -0.019185 -0.014870 -0.027452 0.021671 32O 3py 0.020590 -0.039343 -0.004703 0.027371 0.077119 0.045907 32O 1dz2 0.082400 -0.016264 -0.024120 0.012777 -0.017813 0.012180 32O 1dxz -0.166340 -0.049648 0.037267 -0.017168 0.005116 -0.026670 32O 1dyz -0.120217 -0.009751 0.005649 0.015969 0.016137 -0.018736 32O 1dx2y2 -0.053272 0.099475 -0.145704 0.000280 0.030352 -0.002810 32O 1dxy -0.087664 0.019215 -0.001077 -0.004865 -0.020198 -0.025169 32O 2dz2 -0.060634 0.010411 0.084913 -0.023062 0.018215 -0.018577 32O 2dxz 0.121121 0.040467 0.017152 0.017219 -0.011777 0.023806 32O 2dyz 0.102598 0.007328 0.006496 -0.026869 -0.003061 0.006824 32O 2dx2y2 0.040052 -0.086262 0.108971 0.002644 -0.026631 0.004287 32O 2dxy 0.073635 -0.011713 -0.051981 0.002934 0.021244 0.019796 32O 1f0 -0.019960 -0.010593 0.096806 -0.010650 -0.001012 -0.005125 32O 1f+1 0.022854 0.006724 -0.051847 0.003722 0.001697 0.003396 32O 1f-1 -0.008871 -0.008448 0.089274 -0.019970 0.004924 -0.006511 32O 1f+2 -0.024792 0.007616 -0.062858 0.005912 0.000124 0.002298 32O 1f-2 0.009973 -0.002551 0.048387 0.013479 -0.007709 -0.002998 32O 1f+3 0.020043 0.006326 -0.044281 -0.001881 -0.000521 -0.000523 32O 1f-3 -0.006292 0.005596 -0.042021 -0.005807 0.006650 0.002434 33O 1s 0.000042 -0.001317 -0.000149 -0.001258 -0.000272 -0.002951 33O 2s 0.000428 -0.004266 -0.000865 -0.002729 -0.001670 -0.011215 33O 3s -0.017649 0.051850 0.019897 -0.001878 0.047543 0.205472 33O 4s 0.078055 -0.200325 0.113518 -0.097323 -0.092512 -0.550394 33O 5s 0.207562 0.365879 -1.262895 1.422828 -0.739528 -1.145623 33O 1pz -0.002527 -0.011018 0.014181 -0.022642 -0.010157 0.026539 33O 1px 0.005543 0.000967 -0.041862 0.043466 -0.042993 -0.061942 33O 1py 0.004693 -0.005338 -0.006019 0.019581 0.026009 -0.017970 33O 2pz 0.114433 0.065823 -0.128023 0.211166 -0.063086 -0.375254 33O 2px -0.054977 0.021722 0.210758 -0.272728 0.262010 0.495383 33O 2py 0.034663 0.044443 -0.002417 -0.039653 -0.129202 -0.000341 33O 3pz -0.032733 -0.055308 0.287553 -0.248763 -0.025022 -0.106390 33O 3px -0.328890 -0.236358 0.326694 -0.396783 0.196336 0.507699 33O 3py -0.097906 -0.126995 0.316642 -0.260935 0.221291 0.097239 33O 1dz2 0.185333 0.088472 0.009602 -0.041803 -0.110935 0.004196 33O 1dxz -0.060822 -0.016608 0.077896 -0.101624 0.083053 0.158161 33O 1dyz -0.106385 -0.179513 0.267759 -0.218431 0.241046 0.284528 33O 1dx2y2 -0.309372 -0.214501 0.107813 -0.089734 0.046881 0.118969 33O 1dxy -0.332630 -0.261745 0.225752 -0.261872 0.048307 0.324222 33O 2dz2 -0.080530 -0.042983 -0.009414 0.041013 0.135056 -0.010696 33O 2dxz -0.007162 -0.017136 -0.005575 -0.011359 -0.003658 0.067876 33O 2dyz 0.106829 0.135371 -0.224758 0.172905 -0.226401 -0.228730 33O 2dx2y2 0.208372 0.153092 -0.129075 0.142347 -0.105027 -0.229029 33O 2dxy 0.197772 0.170507 -0.180769 0.228623 0.003551 -0.253430 33O 1f0 0.008400 0.006334 0.007035 -0.000648 0.080056 0.018274 33O 1f+1 -0.059757 -0.034070 -0.003103 0.010342 -0.059897 0.028211 33O 1f-1 -0.015356 0.006068 -0.010318 -0.019565 0.001626 0.049315 33O 1f+2 0.051232 0.037407 -0.028229 0.044064 -0.015174 -0.099594 33O 1f-2 -0.058575 -0.046640 0.018160 0.027653 0.075389 0.025146 33O 1f+3 -0.008738 0.009309 -0.025712 0.035842 -0.023142 -0.040779 33O 1f-3 -0.011996 0.021014 -0.029967 0.052505 0.023582 -0.038284 34O 1s 0.000088 0.001529 -0.000008 0.001837 0.002411 -0.000776 34O 2s 0.000207 0.004972 -0.000490 0.005018 0.009856 -0.002846 34O 3s 0.000163 -0.061259 0.017357 -0.041435 -0.196212 0.047982 34O 4s -0.005367 0.224075 0.129299 0.195806 0.485645 -0.113202 34O 5s -0.041511 -0.364947 -1.392896 -1.084203 1.557064 -0.247629 34O 1pz 0.003884 0.006250 -0.018213 -0.009259 0.035690 0.028949 34O 1px 0.003284 0.004376 0.045186 0.031616 -0.076957 0.023039 34O 1py 0.006379 -0.009102 0.009775 0.008828 -0.012334 0.027931 34O 2pz -0.027530 -0.047464 0.055838 0.028159 -0.122747 -0.115882 34O 2px -0.031259 -0.001044 -0.269686 -0.197930 0.694099 -0.162491 34O 2py 0.008051 0.065677 0.009335 -0.001180 -0.087818 -0.085130 34O 3pz 0.134997 0.136956 0.344881 0.268115 -0.277250 0.157588 34O 3px -0.065628 -0.164355 -0.142333 -0.090272 0.509326 -0.065773 34O 3py -0.019960 -0.157341 -0.458086 -0.326802 0.294313 0.028198 34O 1dz2 -0.019304 -0.120876 -0.109176 -0.050145 0.114617 0.003665 34O 1dxz -0.107703 -0.175100 -0.116979 -0.060446 0.185260 0.124159 34O 1dyz -0.135318 -0.281117 -0.388107 -0.228563 0.532129 -0.156023 34O 1dx2y2 0.065044 0.058042 -0.083193 -0.053219 0.182305 0.040614 34O 1dxy 0.107676 0.121889 0.035317 0.035186 -0.087273 0.094436 34O 2dz2 0.020923 0.096713 0.128216 0.070803 -0.217927 0.023139 34O 2dxz 0.066129 0.110068 0.118458 0.067423 -0.227352 -0.141469 34O 2dyz 0.095333 0.195849 0.315477 0.190992 -0.413679 0.139466 34O 2dx2y2 -0.045298 -0.053181 -0.000371 -0.009418 0.077424 -0.102912 34O 2dxy -0.045304 -0.060324 -0.016223 -0.027854 0.024581 -0.111350 34O 1f0 -0.016871 -0.021214 -0.039912 -0.027665 0.112193 0.038500 34O 1f+1 0.012966 0.028648 0.023609 0.002292 -0.054653 0.010660 34O 1f-1 0.002138 -0.023709 -0.010060 0.006689 0.024628 0.034554 34O 1f+2 -0.013253 -0.020109 0.019997 0.021782 -0.022133 -0.065793 34O 1f-2 -0.001073 0.030252 0.024790 0.010191 0.016546 0.047041 34O 1f+3 0.004820 0.015177 0.028483 0.026382 -0.102025 0.089965 34O 1f-3 -0.036033 -0.033469 0.008157 0.036148 -0.000406 0.042801 35O 1s 0.000376 0.001645 -0.000227 -0.001352 -0.000360 -0.002957 35O 2s 0.000309 0.005368 -0.001017 -0.003043 -0.002022 -0.011313 35O 3s 0.021840 -0.067312 0.017775 0.001679 0.053198 0.203277 35O 4s -0.115827 0.241653 0.137622 -0.095085 -0.118013 -0.519597 35O 5s -0.438274 -0.363290 -1.267331 1.440487 -0.716192 -1.162098 35O 1pz 0.005629 0.008435 -0.018028 0.013164 -0.029454 -0.020958 35O 1px 0.013426 0.001271 0.041886 -0.051024 0.019265 0.070528 35O 1py 0.005959 0.006435 0.004673 0.000790 0.037383 0.002378 35O 2pz -0.097735 -0.067976 0.039287 -0.004742 0.079318 0.003184 35O 2px -0.159195 0.018425 -0.228962 0.344763 -0.202950 -0.594905 35O 2py -0.112167 -0.037137 -0.063740 0.079860 -0.216809 -0.179280 35O 3pz 0.234654 0.203475 0.474655 -0.482495 0.142261 0.267826 35O 3px -0.346148 -0.178812 -0.167816 0.252576 -0.243978 -0.456665 35O 3py -0.021372 0.059980 0.224411 -0.154698 0.155851 -0.037786 35O 1dz2 0.068786 0.074882 0.187609 -0.197567 0.060101 0.271462 35O 1dxz -0.389683 -0.262203 -0.169766 0.174792 -0.207612 -0.226939 35O 1dyz 0.121695 0.183197 0.311500 -0.268301 0.168610 0.367918 35O 1dx2y2 0.267911 0.200822 0.075381 -0.106976 -0.065696 0.095211 35O 1dxy -0.021112 0.037956 0.036875 0.017378 0.082464 -0.032530 35O 2dz2 -0.017071 -0.044600 -0.114902 0.105550 0.007307 -0.094804 35O 2dxz 0.208069 0.161938 0.156623 -0.147861 0.202418 0.197483 35O 2dyz -0.113143 -0.136351 -0.246735 0.216949 -0.129404 -0.281552 35O 2dx2y2 -0.199980 -0.141813 -0.116262 0.179227 0.030605 -0.253990 35O 2dxy -0.054966 -0.045424 -0.066467 0.038045 -0.159974 -0.091582 35O 1f0 0.038734 0.014746 -0.022387 0.029417 -0.025628 -0.024431 35O 1f+1 0.019567 -0.004000 0.010474 -0.007784 0.038856 0.051446 35O 1f-1 0.063365 0.036059 0.020451 -0.016951 0.062381 0.080719 35O 1f+2 -0.048297 0.003758 0.038668 -0.020498 0.070473 0.004764 35O 1f-2 -0.041307 -0.033561 0.000149 -0.018172 0.029397 0.027151 35O 1f+3 -0.009594 0.012933 0.039425 -0.072140 -0.061210 0.104653 35O 1f-3 0.058931 0.035226 0.028130 -0.010701 0.039804 0.061336 708 709 710 711 712 713 6.77590 6.78069 6.78112 6.78283 6.78796 6.78851 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s -0.002244 -0.000172 0.000622 0.000128 -0.000275 0.000018 0Rh 2s 0.021328 0.001478 -0.005498 -0.001475 0.002633 -0.000441 0Rh 3s -0.001167 -0.000183 0.000564 -0.000084 -0.000129 -0.000149 0Rh 4s -0.136958 -0.009613 0.035574 0.009318 -0.016906 0.002725 0Rh 5s 0.405617 0.028663 -0.105192 -0.027684 0.050222 -0.008961 0Rh 6s -0.568246 -0.041059 0.145819 0.039293 -0.071113 0.017714 0Rh 7s 1.198795 0.102695 -0.293614 -0.081445 0.150310 -0.083784 0Rh 8s 0.085625 -0.011873 -0.054438 0.036517 0.032438 0.041848 0Rh 1pz 0.004140 -0.000084 -0.006641 -0.026301 -0.001364 0.010829 0Rh 1px -0.011149 -0.000825 -0.003060 -0.005569 -0.000025 0.013056 0Rh 1py 0.004757 0.000268 0.021558 -0.007043 -0.010196 -0.038668 0Rh 2pz -0.017576 0.000351 0.028240 0.111834 0.005835 -0.046030 0Rh 2px 0.047291 0.003504 0.013028 0.023724 0.000105 -0.055468 0Rh 2py -0.020211 -0.001117 -0.091689 0.029934 0.043368 0.164311 0Rh 3pz 0.062185 -0.001102 -0.101131 -0.400546 -0.021548 0.163663 0Rh 3px -0.166445 -0.012429 -0.047080 -0.085982 -0.000189 0.196900 0Rh 3py 0.072202 0.003365 0.328838 -0.106952 -0.155696 -0.583646 0Rh 4pz -0.091425 0.000975 0.154166 0.611985 0.034756 -0.241159 0Rh 4px 0.242027 0.018332 0.073756 0.135075 -0.001003 -0.290660 0Rh 4py -0.110658 -0.002034 -0.503487 0.162640 0.239612 0.860479 0Rh 5pz 0.063812 0.001301 -0.119094 -0.472194 -0.030841 0.152896 0Rh 5px -0.162266 -0.011957 -0.059578 -0.111823 0.003125 0.190622 0Rh 5py 0.088278 -0.007781 0.389313 -0.123878 -0.190131 -0.555003 0Rh 6pz -0.100096 0.002724 0.077049 0.079407 0.063556 0.091299 0Rh 6px 0.192701 0.005394 -0.068215 0.004783 0.061025 0.058294 0Rh 6py -0.017837 0.030574 -0.055579 0.004645 0.028701 -0.227235 0Rh 1dz2 0.003257 -0.000033 -0.003047 -0.005063 -0.001892 -0.004100 0Rh 1dxz 0.004089 0.000185 -0.000865 0.008853 -0.000162 -0.000415 0Rh 1dyz 0.001502 -0.000062 -0.001317 0.001585 -0.010229 0.001748 0Rh 1dx2y2 -0.004882 -0.000575 0.004579 0.002290 -0.004055 -0.001574 0Rh 1dxy -0.003964 0.001279 -0.008392 0.002793 0.000482 -0.003310 0Rh 2dz2 -0.003300 -0.000227 0.003234 0.002860 0.003813 0.001461 0Rh 2dxz -0.004071 -0.000230 0.000669 -0.004732 -0.000499 0.000236 0Rh 2dyz -0.001337 -0.000306 0.003819 -0.001316 0.012477 0.000286 0Rh 2dx2y2 0.005443 0.000403 -0.002568 -0.001724 0.003753 0.000369 0Rh 2dxy 0.003231 -0.000669 0.005770 -0.001866 0.002609 0.000770 0Rh 3dz2 -0.001735 0.001408 0.000886 0.015017 -0.009177 0.016746 0Rh 3dxz -0.002500 0.000129 0.001570 -0.027790 0.003663 0.001156 0Rh 3dyz -0.001850 0.002036 -0.012691 -0.002452 -0.005717 -0.012116 0Rh 3dx2y2 -0.000284 0.001285 -0.013636 -0.004461 0.004185 0.007205 0Rh 3dxy 0.006324 -0.004119 0.019467 -0.006713 -0.017012 0.015982 0Rh 4dz2 -0.013228 -0.005444 0.014415 -0.031175 0.048059 -0.042225 0Rh 4dxz -0.015927 -0.001618 -0.001100 0.061472 -0.014197 -0.001474 0Rh 4dyz -0.001291 -0.007955 0.059518 0.000843 0.083187 0.038407 0Rh 4dx2y2 0.033315 -0.001797 0.027944 0.004301 0.006742 -0.016973 0Rh 4dxy -0.001164 0.009374 -0.030449 0.010597 0.066497 -0.045926 0Rh 5dz2 0.127195 0.020219 -0.117668 0.022976 -0.213948 0.056705 0Rh 5dxz 0.159252 0.009937 -0.012297 -0.073922 0.057701 -0.009399 0Rh 5dyz 0.034906 0.027754 -0.257520 0.026392 -0.505699 -0.102692 0Rh 5dx2y2 -0.255104 -0.007185 -0.014704 0.031946 -0.102596 0.015887 0Rh 5dxy -0.084262 -0.012246 -0.038238 0.016608 -0.242854 0.097017 0Rh 1f0 0.006852 0.001020 0.004225 -0.000227 -0.008571 -0.030334 0Rh 1f+1 -0.004880 -0.000311 0.004566 -0.007547 0.006266 -0.001050 0Rh 1f-1 0.002160 0.000904 0.002839 -0.015611 -0.015259 -0.017299 0Rh 1f+2 -0.006794 0.000792 0.006237 0.017341 -0.006037 -0.023924 0Rh 1f-2 -0.000613 -0.000458 0.021501 -0.002671 0.014025 -0.026141 0Rh 1f+3 -0.009765 -0.000244 -0.008549 -0.005420 -0.000622 0.015593 0Rh 1f-3 -0.004182 -0.000274 0.002935 0.000108 -0.015090 -0.008067 1Rh 1s 0.002242 -0.000020 -0.000650 -0.000125 0.000270 0.000030 1Rh 2s -0.021302 0.000138 0.005753 0.001458 -0.002580 -0.000550 1Rh 3s 0.001169 -0.000038 -0.000588 0.000091 0.000133 -0.000142 1Rh 4s 0.136796 -0.000936 -0.037226 -0.009203 0.016570 0.003427 1Rh 5s -0.405119 0.002999 0.110183 0.027361 -0.049167 -0.011047 1Rh 6s 0.567432 -0.005440 -0.153326 -0.038930 0.069297 0.020679 1Rh 7s -1.196399 0.030064 0.315832 0.080519 -0.141630 -0.089685 1Rh 8s -0.085966 -0.026364 0.047712 -0.035565 -0.037701 0.038181 1Rh 1pz 0.004003 0.000442 -0.006763 -0.026388 -0.000085 -0.011008 1Rh 1px -0.011229 0.001207 -0.002860 -0.005540 0.001062 -0.012942 1Rh 1py 0.005028 -0.005611 0.020946 -0.007137 -0.013043 0.037489 1Rh 2pz -0.016994 -0.001872 0.028759 0.112206 0.000400 0.046793 1Rh 2px 0.047631 -0.005130 0.012176 0.023598 -0.004515 0.054985 1Rh 2py -0.021364 0.023843 -0.089090 0.030335 0.055465 -0.159299 1Rh 3pz 0.060113 0.006548 -0.103002 -0.401867 -0.002241 -0.166429 1Rh 3px -0.167644 0.018326 -0.044027 -0.085543 0.016222 -0.195195 1Rh 3py 0.076292 -0.084870 0.319656 -0.108384 -0.198650 0.565676 1Rh 4pz -0.088342 -0.009232 0.157057 0.613944 0.006332 0.245492 1Rh 4px 0.243765 -0.027686 0.069111 0.134443 -0.025283 0.288107 1Rh 4py -0.116671 0.126847 -0.490091 0.164779 0.302915 -0.832971 1Rh 5pz 0.061676 0.005214 -0.121332 -0.473504 -0.012797 -0.156563 1Rh 5px -0.163337 0.019652 -0.056159 -0.111411 0.019280 -0.188810 1Rh 5py 0.092125 -0.088760 0.380890 -0.125311 -0.231059 0.533684 1Rh 6pz -0.098073 -0.018760 0.074587 0.079073 0.074612 -0.086528 1Rh 6px 0.192609 0.011684 -0.068874 0.004315 0.063257 -0.054672 1Rh 6py -0.016039 -0.018524 -0.059540 0.004021 0.017201 0.229531 1Rh 1dz2 -0.003271 -0.000545 0.003074 0.005114 0.002447 -0.003848 1Rh 1dxz -0.004102 -0.000431 0.000871 -0.008821 0.000279 -0.000421 1Rh 1dyz -0.001505 -0.000483 0.001277 -0.001607 0.009880 0.002721 1Rh 1dx2y2 0.004893 0.000406 -0.004543 -0.002248 0.004245 -0.001193 1Rh 1dxy 0.003941 -0.000852 0.008504 -0.002789 -0.000161 -0.003344 1Rh 2dz2 0.003296 0.000438 -0.003255 -0.002882 -0.003964 0.001042 1Rh 2dxz 0.004075 0.000154 -0.000692 0.004719 0.000456 0.000277 1Rh 2dyz 0.001331 0.000706 -0.003810 0.001315 -0.012368 -0.000937 1Rh 2dx2y2 -0.005444 -0.000137 0.002592 0.001712 -0.003778 0.000041 1Rh 2dxy -0.003227 0.000791 -0.005790 0.001865 -0.002682 0.000518 1Rh 3dz2 0.001841 0.000908 -0.000937 -0.015206 0.006656 0.017494 1Rh 3dxz 0.002551 0.001761 -0.001484 0.027668 -0.004127 0.000970 1Rh 3dyz 0.001898 -0.000896 0.012881 0.002592 0.007229 -0.011369 1Rh 3dx2y2 0.000225 -0.001682 0.013287 0.004273 -0.005168 0.006675 1Rh 3dxy -0.006199 0.000857 -0.020037 0.006698 0.015460 0.017549 1Rh 4dz2 0.012891 -0.000375 -0.014416 0.031618 -0.041356 -0.046752 1Rh 4dxz 0.015795 -0.004585 0.000690 -0.061161 0.015241 -0.000679 1Rh 4dyz 0.001109 0.006473 -0.060090 -0.001267 -0.087157 0.029650 1Rh 4dx2y2 -0.033132 0.004372 -0.026768 -0.003822 -0.004198 -0.017049 1Rh 4dxy 0.000786 0.001534 0.032115 -0.010563 -0.062036 -0.052104 1Rh 5dz2 -0.126219 -0.010062 0.118793 -0.023361 0.202404 0.078710 1Rh 5dxz -0.158868 0.009623 0.014389 0.073403 -0.058145 -0.012862 1Rh 5dyz -0.034010 -0.036408 0.258728 -0.025263 0.512131 -0.051133 1Rh 5dx2y2 0.254517 -0.010931 0.010578 -0.032601 0.099075 0.023230 1Rh 5dxy 0.085230 -0.021694 0.033994 -0.016548 0.232865 0.119709 1Rh 1f0 0.007058 -0.001947 0.003894 -0.000290 -0.011056 0.029265 1Rh 1f+1 -0.004815 -0.001185 0.004519 -0.007544 0.006323 0.001666 1Rh 1f-1 0.002225 -0.002262 0.002387 -0.015754 -0.015968 0.015698 1Rh 1f+2 -0.006610 -0.001428 0.006133 0.017362 -0.008050 0.023342 1Rh 1f-2 -0.000378 -0.004814 0.021070 -0.002729 0.011920 0.027489 1Rh 1f+3 -0.009895 0.001976 -0.008428 -0.005462 0.000618 -0.015538 1Rh 1f-3 -0.004159 -0.000431 0.002914 0.000064 -0.015619 0.006564 2C 1s -0.000265 0.000861 0.000678 0.002460 0.000537 0.000198 2C 2s -0.000038 0.000673 0.000889 0.001438 0.000485 0.000231 2C 3s -0.026107 0.009776 -0.029706 0.119857 0.032419 -0.008158 2C 4s 0.141142 -0.071198 0.195133 -0.778017 -0.187410 0.054175 2C 5s -0.120382 -0.008700 -0.405391 0.845924 0.185106 -0.065207 2C 1pz -0.001723 0.000796 0.000936 0.007053 -0.000062 -0.000775 2C 1px 0.011828 0.001231 -0.002634 0.003593 -0.002719 0.003764 2C 1py 0.000656 -0.001482 -0.009174 -0.000445 0.002824 -0.002724 2C 2pz 0.103263 -0.007639 0.146973 -0.408295 -0.088240 0.082496 2C 2px -0.131169 -0.004194 0.083178 -0.108055 -0.002985 -0.053905 2C 2py 0.019339 -0.010614 0.132386 -0.247355 -0.064255 0.017155 2C 3pz -0.000964 0.009804 -0.061626 0.127973 0.024050 0.014421 2C 3px -0.029295 0.008377 -0.021518 0.073924 0.021981 -0.003110 2C 3py -0.013151 -0.013043 -0.042434 0.078514 0.023552 -0.048154 2C 1dz2 0.036564 0.002741 -0.007978 -0.012449 -0.030184 0.009061 2C 1dxz -0.053643 -0.000383 0.043660 -0.003591 0.037110 -0.002987 2C 1dyz 0.011128 -0.000185 -0.000900 -0.021110 -0.010691 0.005386 2C 1dx2y2 0.004097 0.002306 0.000172 0.011419 -0.004088 0.006542 2C 1dxy -0.042187 -0.004275 0.023518 -0.002528 0.031979 -0.018592 2C 2dz2 0.098507 0.017821 0.002440 -0.098858 -0.061257 0.024117 2C 2dxz -0.160787 0.004336 0.103807 0.009926 0.103041 -0.038158 2C 2dyz 0.037724 -0.007463 0.061345 -0.161495 -0.056358 0.006982 2C 2dx2y2 0.003166 0.009452 -0.033772 0.022053 -0.020150 -0.052644 2C 2dxy -0.114360 -0.007422 0.067546 -0.024125 0.062865 0.035155 2C 1f0 0.083542 0.007676 -0.043373 -0.014483 -0.060761 0.006110 2C 1f+1 -0.060270 0.000600 0.050641 -0.015123 0.038561 -0.002409 2C 1f-1 0.030367 -0.001899 -0.009226 -0.027006 -0.022238 0.009617 2C 1f+2 -0.042712 0.004396 0.018676 0.029995 0.031412 -0.004026 2C 1f-2 -0.100416 -0.014548 0.046865 -0.010624 0.072847 -0.028362 2C 1f+3 -0.042770 0.009812 0.042358 0.008677 0.025059 -0.007433 2C 1f-3 0.023426 -0.007745 -0.022713 -0.019367 -0.020308 -0.003263 3C 1s 0.000133 0.001033 0.002286 -0.000600 -0.001552 -0.000405 3C 2s 0.000120 0.000890 0.001334 -0.000824 -0.001144 -0.000368 3C 3s 0.008346 0.000226 0.100913 0.048453 -0.055597 -0.001202 3C 4s -0.084126 -0.007220 -0.649261 -0.298800 0.352694 0.017969 3C 5s 0.149754 -0.235433 0.720570 0.522394 -0.288546 0.127421 3C 1pz -0.002675 -0.001424 -0.002360 0.008814 0.000544 0.006523 3C 1px 0.011987 -0.000137 0.001214 0.002199 0.005122 -0.005132 3C 1py -0.000241 -0.000877 -0.006852 0.000105 0.003182 0.004434 3C 2pz 0.011128 0.015350 -0.160093 -0.142052 0.084019 -0.075227 3C 2px -0.169830 0.008790 -0.118625 -0.086253 -0.002505 0.122208 3C 2py 0.045096 -0.044740 0.340108 0.218568 -0.154565 0.005798 3C 3pz 0.019548 -0.033006 0.036080 0.032821 -0.006493 0.031291 3C 3px -0.006784 -0.016922 0.060910 0.046588 -0.041660 0.012737 3C 3py -0.035358 0.030465 -0.126045 -0.081906 0.043899 -0.009538 3C 1dz2 0.018840 0.000563 0.003038 0.003482 0.020022 -0.015377 3C 1dxz -0.034776 -0.002808 -0.015686 0.006845 -0.032884 0.034048 3C 1dyz -0.026797 -0.002068 0.010204 0.008680 -0.037998 0.025732 3C 1dx2y2 -0.027276 -0.006329 0.004347 0.020990 -0.035345 0.036160 3C 1dxy 0.050022 0.000830 0.017089 0.000647 0.047121 -0.049097 3C 2dz2 0.057723 -0.012379 0.029522 -0.001031 0.034845 -0.058088 3C 2dxz -0.100373 -0.007558 -0.040808 -0.005761 -0.098177 0.095301 3C 2dyz -0.048631 -0.016110 0.122079 0.101825 -0.128368 0.066939 3C 2dx2y2 -0.065369 -0.029416 0.045229 0.065402 -0.084597 0.081001 3C 2dxy 0.155644 -0.006058 0.055692 0.026684 0.103821 -0.111283 3C 1f0 0.010004 -0.008193 0.000269 0.012355 0.007419 -0.001026 3C 1f+1 0.019856 -0.009173 -0.010425 0.005543 0.033335 -0.010536 3C 1f-1 -0.038799 -0.005142 -0.005814 0.016335 -0.037474 0.036289 3C 1f+2 -0.067539 0.009981 0.016109 -0.000610 -0.080529 0.052198 3C 1f-2 0.049794 0.008007 0.033044 -0.004853 0.035874 -0.044560 3C 1f+3 -0.078050 -0.003588 -0.031403 0.003274 -0.065354 0.070391 3C 1f-3 -0.090467 -0.015741 -0.003848 0.035373 -0.104129 0.091972 4C 1s 0.001686 -0.000308 0.000248 -0.004424 -0.002289 0.000345 4C 2s 0.002649 -0.000548 -0.000549 -0.004295 -0.002710 0.000418 4C 3s 0.044150 -0.021593 0.101784 -0.383959 -0.118224 0.027670 4C 4s -0.293859 0.113665 -0.519787 2.017736 0.656019 -0.158926 4C 5s -0.000480 0.036261 0.149307 -0.100723 0.042679 -0.022426 4C 1pz -0.014468 0.006519 -0.012908 0.029102 -0.019826 -0.004887 4C 1px 0.020398 -0.004087 0.031492 0.000806 0.087736 0.011225 4C 1py -0.003528 -0.002360 -0.002577 0.015236 0.024182 -0.004150 4C 2pz 0.185277 0.211986 0.247646 0.140753 -0.170088 0.175029 4C 2px -0.264322 0.115561 0.451752 0.061617 0.295832 0.014785 4C 2py -0.202483 -0.327108 -0.378884 -0.132314 0.291867 -0.221393 4C 3pz -0.037367 0.043834 -0.219548 0.610979 0.119984 -0.093802 4C 3px -0.043447 0.008458 0.113554 0.072029 0.177964 -0.010820 4C 3py -0.052316 0.013110 -0.151113 0.379983 0.149787 0.003365 4C 1dz2 -0.023014 0.045582 0.091440 0.013599 -0.015943 -0.001592 4C 1dxz 0.102175 0.021141 -0.000076 -0.025351 -0.063950 0.082398 4C 1dyz -0.015134 -0.027183 -0.042827 0.003154 0.018933 0.012650 4C 1dx2y2 0.011093 0.036408 0.038737 0.070499 -0.002860 0.065730 4C 1dxy 0.052182 0.008925 -0.027214 0.024527 -0.011735 -0.054036 4C 2dz2 0.176191 0.162417 0.063500 0.210169 -0.092788 0.011104 4C 2dxz -0.207746 0.065276 0.159009 0.063078 0.017912 0.066795 4C 2dyz -0.069948 -0.063294 -0.214128 0.316569 0.119917 0.019974 4C 2dx2y2 0.006392 0.105026 0.156338 0.100275 0.008694 0.158381 4C 2dxy -0.209326 0.021910 0.052785 0.160762 0.111437 -0.242416 4C 1f0 -0.197060 0.000375 0.154420 -0.027253 0.152462 -0.113933 4C 1f+1 0.188952 -0.059466 -0.199349 -0.122640 -0.160556 0.061589 4C 1f-1 -0.061695 0.010365 0.076566 -0.000313 0.050120 0.043548 4C 1f+2 0.137778 0.071142 0.000655 0.094321 -0.104956 0.098611 4C 1f-2 0.302145 0.126020 -0.014186 0.042138 -0.280670 0.082051 4C 1f+3 0.127563 -0.101758 -0.277895 -0.057719 -0.069616 -0.136892 4C 1f-3 0.069892 0.103797 0.161567 -0.017152 -0.086379 0.069790 5C 1s -0.000725 -0.000005 -0.003971 -0.001052 0.001534 0.000116 5C 2s -0.000910 -0.000419 -0.003957 -0.000129 0.002158 0.000240 5C 3s -0.054095 0.018608 -0.324765 -0.161838 0.140444 -0.001818 5C 4s 0.314075 -0.096420 1.719774 0.823980 -0.743884 0.005947 5C 5s -0.016102 0.107433 -0.075526 -0.137202 0.064865 -0.071310 5C 1pz -0.003858 -0.004157 0.023897 0.007353 0.016804 0.018497 5C 1px 0.024110 0.003826 -0.034606 0.013266 -0.080871 -0.044239 5C 1py 0.000432 -0.001707 -0.031382 -0.005519 -0.000207 -0.006168 5C 2pz 0.115626 -0.325591 -0.135170 0.440530 0.218436 0.093911 5C 2px -0.290635 -0.071583 -0.093080 0.115630 -0.430013 0.362526 5C 2py -0.057315 -0.240095 -0.197966 0.378447 -0.007362 0.201272 5C 3pz 0.083146 -0.079945 0.327219 0.227756 -0.046938 0.009229 5C 3px 0.001475 -0.019219 0.119912 0.100984 -0.239940 -0.025526 5C 3py -0.138456 0.084873 -0.523808 -0.259394 0.178899 -0.073876 5C 1dz2 -0.029803 -0.051672 -0.061485 0.065464 0.005451 0.077049 5C 1dxz 0.033509 -0.015653 -0.040923 0.017546 0.043875 -0.042994 5C 1dyz 0.029657 0.030367 -0.006136 -0.054852 0.029815 -0.061712 5C 1dx2y2 0.054258 -0.028944 0.019664 0.056870 0.028623 -0.032293 5C 1dxy -0.076201 -0.006770 0.002784 0.018417 -0.058183 0.080561 5C 2dz2 0.067380 -0.145097 -0.221993 0.121487 0.144384 -0.012859 5C 2dxz -0.102868 -0.070764 -0.019061 0.109492 -0.060681 0.116621 5C 2dyz -0.167349 0.092301 -0.232389 -0.240067 0.043445 0.100385 5C 2dx2y2 -0.159374 -0.112031 -0.095589 0.097770 -0.036716 0.212857 5C 2dxy 0.200203 0.019318 -0.145855 -0.082749 0.214352 -0.295630 5C 1f0 -0.074783 0.044741 -0.004344 -0.072555 -0.069936 0.042787 5C 1f+1 0.004165 0.117558 0.021893 -0.181621 0.009739 -0.123346 5C 1f-1 0.105536 0.101749 0.083208 -0.154561 0.104771 -0.161023 5C 1f+2 0.228046 -0.100850 -0.019204 0.127797 0.279092 -0.131382 5C 1f-2 -0.107770 0.019330 0.036848 0.002971 -0.172137 0.091338 5C 1f+3 0.212551 0.016576 -0.011059 -0.071926 0.271240 -0.189797 5C 1f-3 0.233379 0.095325 0.172863 -0.139154 0.213235 -0.271331 6C 1s 0.000686 -0.000863 0.003847 0.001060 -0.001531 -0.000046 6C 2s 0.000824 -0.001290 0.003695 0.000145 -0.002144 0.000023 6C 3s 0.054454 -0.050107 0.321929 0.162508 -0.141503 -0.015727 6C 4s -0.312347 0.268607 -1.701887 -0.825847 0.746535 0.078679 6C 5s 0.014965 0.090264 0.101143 0.131272 -0.056983 -0.075220 6C 1pz -0.004026 -0.001277 0.024251 0.007297 0.018547 -0.016537 6C 1px 0.024071 0.005316 -0.034313 0.013284 -0.084284 0.035642 6C 1py 0.000613 0.008747 -0.029998 -0.005644 -0.000524 0.005980 6C 2pz 0.114153 0.368042 -0.047770 0.426572 0.240633 -0.069546 6C 2px -0.293247 0.097341 -0.074603 0.113267 -0.397732 -0.401399 6C 2py -0.058345 0.295264 -0.129625 0.367471 0.017568 -0.197507 6C 3pz 0.082047 0.010659 0.336308 0.223296 -0.045220 -0.012685 6C 3px 0.001092 -0.005251 0.119642 0.099027 -0.241540 0.001738 6C 3py -0.136307 0.028812 -0.529310 -0.255588 0.166408 0.089390 6C 1dz2 0.030363 -0.067399 0.046428 -0.063529 -0.013604 0.075574 6C 1dxz -0.034064 -0.025470 0.035624 -0.016338 -0.042327 -0.047349 6C 1dyz -0.030162 0.030598 0.013782 0.053846 -0.023314 -0.063805 6C 1dx2y2 -0.054185 -0.026310 -0.026992 -0.055603 -0.027531 -0.034890 6C 1dxy 0.076840 -0.006694 -0.003949 -0.018140 0.050292 0.085152 6C 2dz2 -0.067306 -0.197796 0.178833 -0.114561 -0.146119 -0.027501 6C 2dxz 0.103092 -0.077561 0.001162 -0.105615 0.046897 0.119348 6C 2dyz 0.167741 0.046500 0.250568 0.236381 -0.049979 0.095930 6C 2dx2y2 0.161342 -0.135465 0.066215 -0.093091 0.015572 0.214401 6C 2dxy -0.202113 -0.011754 0.146600 0.084056 -0.193489 -0.313556 6C 1f0 -0.075093 -0.045657 -0.016112 -0.070173 -0.070036 -0.049883 6C 1f+1 0.005062 -0.127634 -0.009399 -0.177439 -0.005063 0.122562 6C 1f-1 0.107020 -0.125239 0.055162 -0.150574 0.088241 0.169111 6C 1f+2 0.229123 0.107928 0.008564 0.122772 0.273527 0.158176 6C 1f-2 -0.108538 -0.027120 0.030774 0.004480 -0.166240 -0.107574 6C 1f+3 0.214006 -0.017042 -0.014038 -0.071738 0.253952 0.214094 6C 1f-3 0.235460 -0.139074 0.144273 -0.135360 0.185353 0.288502 7C 1s -0.001689 -0.000044 -0.000284 0.004422 0.002300 0.000607 7C 2s -0.002633 -0.000447 0.000462 0.004303 0.002740 0.000761 7C 3s -0.045668 0.019969 -0.104443 0.383331 0.117221 0.039563 7C 4s 0.299669 -0.101000 0.531152 -2.014780 -0.650161 -0.226929 7C 5s 0.001308 0.071706 -0.131604 0.100121 -0.042590 -0.025331 7C 1pz -0.014326 -0.001756 -0.013917 0.029156 -0.019725 0.003022 7C 1px 0.020135 -0.003719 0.031754 0.001004 0.087806 -0.002533 7C 1py -0.003600 0.003611 -0.001966 0.015179 0.023481 0.006542 7C 2pz 0.184823 -0.258222 0.194686 0.153638 -0.147761 -0.187863 7C 2px -0.264310 -0.217939 0.413596 0.069015 0.305929 0.016941 7C 2py -0.203178 0.399375 -0.295061 -0.152701 0.263707 0.247205 7C 3pz -0.037992 0.034054 -0.221434 0.612374 0.104795 0.106537 7C 3px -0.043273 -0.032462 0.109313 0.071734 0.175502 0.029193 7C 3py -0.052699 0.037655 -0.147533 0.381387 0.148573 0.012663 7C 1dz2 0.022527 0.065566 -0.079126 -0.016232 0.013523 -0.000826 7C 1dxz -0.101757 0.021185 0.004618 0.023695 0.057480 0.088899 7C 1dyz 0.015412 -0.036279 0.035468 -0.001773 -0.018743 0.011092 7C 1dx2y2 -0.010761 0.041278 -0.029728 -0.072550 -0.004148 0.065302 7C 1dxy -0.052598 0.001039 0.027906 -0.024779 0.016253 -0.052343 7C 2dz2 -0.176093 0.162757 -0.026285 -0.217177 0.089870 0.019852 7C 2dxz 0.207061 0.098275 -0.138087 -0.065982 -0.026740 0.063467 7C 2dyz 0.070817 -0.125566 0.194619 -0.312600 -0.119179 0.008786 7C 2dx2y2 -0.006403 0.134859 -0.127987 -0.105653 -0.023363 0.155742 7C 2dxy 0.209634 0.027895 -0.047551 -0.160563 -0.096444 -0.254310 7C 1f0 -0.195761 -0.038831 0.149170 -0.027198 0.144258 0.130123 7C 1f+1 0.188135 0.100991 -0.181194 -0.125890 -0.160156 -0.079638 7C 1f-1 -0.061929 -0.028913 0.072363 0.000800 0.054486 -0.037572 7C 1f+2 0.137115 -0.064707 -0.014628 0.098623 -0.095549 -0.108630 7C 1f-2 0.302608 -0.115521 -0.041115 0.049179 -0.271179 -0.110630 7C 1f+3 0.128285 0.162469 -0.247549 -0.064355 -0.087243 0.126985 7C 1f-3 0.070418 -0.139217 0.134166 -0.010786 -0.076280 -0.076607 8C 1s -0.000132 0.001532 -0.001953 0.000517 0.001625 -0.000230 8C 2s -0.000120 0.001185 -0.001061 0.000755 0.001201 -0.000237 8C 3s -0.008259 0.021423 -0.098583 -0.049071 0.056851 0.004422 8C 4s 0.083949 -0.143821 0.632448 0.302907 -0.360334 -0.017106 8C 5s -0.146334 -0.080470 -0.758759 -0.510012 0.271600 0.152571 8C 1pz -0.002670 0.002321 -0.001710 0.008802 0.001364 -0.006333 8C 1px 0.012042 -0.000051 0.001348 0.002221 0.004681 0.005559 8C 1py -0.000312 0.002491 -0.006401 0.000117 0.003753 -0.004155 8C 2pz 0.011274 0.016346 -0.161998 -0.142200 0.077058 0.082049 8C 2px -0.170769 0.015337 -0.120010 -0.086270 0.008793 -0.121292 8C 2py 0.045252 -0.026886 0.343274 0.216757 -0.155688 -0.019498 8C 3pz 0.019078 0.024819 0.043519 0.031316 -0.001439 -0.031420 8C 3px -0.006916 0.004101 0.064226 0.046148 -0.039538 -0.016172 8C 3py -0.034705 -0.003306 -0.128996 -0.079961 0.042536 0.013392 8C 1dz2 -0.018842 0.001109 -0.002968 -0.003504 -0.018588 -0.017052 8C 1dxz 0.034968 -0.006780 0.014676 -0.006850 0.029588 0.036858 8C 1dyz 0.027123 -0.000038 -0.010304 -0.008747 0.036252 0.029332 8C 1dx2y2 0.027459 -0.006039 -0.005887 -0.020817 0.031985 0.039088 8C 1dxy -0.050492 0.004765 -0.016740 -0.000561 -0.043250 -0.053290 8C 2dz2 -0.057788 -0.005018 -0.031602 0.001763 -0.029233 -0.060466 8C 2dxz 0.101094 -0.016794 0.038091 0.005169 0.091126 0.104289 8C 2dyz 0.049310 0.008520 -0.123163 -0.101577 0.123458 0.078455 8C 2dx2y2 0.065501 -0.020413 -0.052305 -0.064256 0.077545 0.087569 8C 2dxy -0.156771 0.006112 -0.056639 -0.025952 -0.094923 -0.120407 8C 1f0 0.010342 0.008344 0.002575 0.011887 0.007986 0.002086 8C 1f+1 0.019966 0.011302 -0.007597 0.004806 0.032943 0.013885 8C 1f-1 -0.039228 0.006980 -0.004471 0.016073 -0.034339 -0.039521 8C 1f+2 -0.067978 -0.013200 0.012784 0.000362 -0.076841 -0.059707 8C 1f-2 0.050082 -0.015661 0.030375 -0.004460 0.031539 0.047435 8C 1f+3 -0.078317 0.010860 -0.029849 0.003147 -0.059094 -0.075688 8C 1f-3 -0.091348 0.017724 0.000010 0.035001 -0.096406 -0.101197 9C 1s 0.000295 0.000815 -0.000411 -0.002469 -0.000609 0.000101 9C 2s 0.000057 0.000742 -0.000668 -0.001446 -0.000545 0.000152 9C 3s 0.026763 -0.003285 0.031240 -0.119825 -0.032706 -0.011916 9C 4s -0.144599 0.015138 -0.207773 0.777591 0.187994 0.075511 9C 5s 0.120122 -0.133526 0.382844 -0.847104 -0.171399 -0.085678 9C 1pz -0.001686 -0.000699 0.000834 0.007017 0.000043 0.000728 9C 1px 0.011776 -0.000361 -0.002788 0.003641 -0.002329 -0.003931 9C 1py 0.000641 0.003586 -0.008742 -0.000426 0.002300 0.002828 9C 2pz 0.103005 -0.044375 0.143460 -0.405484 -0.081905 -0.089695 9C 2px -0.130322 -0.020589 0.080970 -0.107773 -0.006332 0.051413 9C 2py 0.020071 -0.031933 0.132917 -0.249633 -0.060986 -0.022005 9C 3pz -0.000568 0.009263 -0.059989 0.127730 0.023361 -0.011961 9C 3px -0.029589 0.000180 -0.022699 0.074312 0.022092 0.004876 9C 3py -0.013140 0.025347 -0.038182 0.079895 0.017272 0.050584 9C 1dz2 -0.036472 0.001066 0.008273 0.012143 0.029397 0.012084 9C 1dxz 0.053729 0.010375 -0.042554 0.003477 -0.037754 -0.007205 9C 1dyz -0.011237 0.000496 0.000848 0.021101 0.010485 0.006602 9C 1dx2y2 -0.004153 0.001878 0.000244 -0.011677 0.003448 0.007056 9C 1dxy 0.041921 0.001700 -0.023591 0.002779 -0.030497 -0.021957 9C 2dz2 -0.098131 0.021400 0.002047 0.097875 0.059660 0.030251 9C 2dxz 0.161329 0.028757 -0.099644 -0.010471 -0.102580 -0.051789 9C 2dyz -0.038064 0.013900 -0.061538 0.161417 0.055150 0.012856 9C 2dx2y2 -0.004016 0.000541 0.034694 -0.022491 0.024908 -0.049618 9C 2dxy 0.114113 0.010144 -0.065880 0.023746 -0.064989 0.027131 9C 1f0 0.082970 0.002254 -0.043189 -0.013921 -0.060309 -0.012713 9C 1f+1 -0.059261 -0.013513 0.048416 -0.014838 0.038188 0.006482 9C 1f-1 0.030785 0.002789 -0.008618 -0.026936 -0.022126 -0.012189 9C 1f+2 -0.042698 -0.007188 0.016711 0.030165 0.031616 0.007895 9C 1f-2 -0.100711 0.001457 0.049407 -0.011126 0.071136 0.036079 9C 1f+3 -0.043860 -0.018979 0.039251 0.009104 0.026381 0.011000 9C 1f-3 0.023480 0.011910 -0.020085 -0.019695 -0.021140 0.000675 10H 1s -0.038121 0.004033 0.025672 0.021353 0.029033 0.003653 10H 2s -0.042024 0.017923 0.074413 0.050296 0.085159 0.045990 10H 3s 0.023640 0.000568 0.042200 -0.118240 -0.042051 -0.001743 10H 1pz -0.007498 0.007092 0.022719 0.007833 0.015911 0.016092 10H 1px 0.028272 -0.004730 -0.025438 -0.019535 -0.029656 -0.005805 10H 1py -0.004989 -0.002049 0.002862 0.001030 0.010141 -0.011009 11H 1s 0.004917 -0.001259 -0.005478 -0.009531 -0.011749 0.011016 11H 2s 0.011043 0.016489 0.029157 -0.018951 -0.008194 0.027067 11H 3s 0.014860 0.010900 0.032077 -0.044858 -0.005068 0.018446 11H 1pz -0.004433 0.001600 -0.004558 0.009342 0.007128 -0.001206 11H 1px 0.007904 0.005184 0.003729 -0.005289 -0.008550 -0.001604 11H 1py -0.007291 0.002746 0.000208 0.010649 0.006679 -0.012184 12H 1s 0.016606 0.008365 -0.002114 0.003327 -0.021873 -0.007694 12H 2s 0.025945 0.026507 0.027662 0.007767 -0.031215 -0.039348 12H 3s 0.014425 0.002407 0.040616 -0.068685 -0.002931 -0.008251 12H 1pz -0.011872 -0.001828 0.005012 0.008247 0.008653 0.005819 12H 1px 0.004791 0.000218 -0.001753 -0.005046 -0.008384 -0.001647 12H 1py 0.016501 0.015158 0.011048 0.015084 -0.017630 0.001394 13H 1s -0.033233 0.003509 0.012255 0.001358 -0.046219 0.027694 13H 2s -0.035956 0.027691 0.022122 -0.018336 -0.116358 0.014419 13H 3s -0.013136 0.021539 -0.086223 -0.067757 0.063985 0.004446 13H 1pz -0.017006 0.005006 0.006406 -0.001862 -0.036448 0.009493 13H 1px 0.019887 -0.006850 -0.008257 0.003800 0.035915 -0.014621 13H 1py 0.003057 -0.007671 -0.000887 0.009799 0.015380 0.001080 14H 1s 0.016283 0.009851 0.014941 -0.016147 0.020897 -0.028212 14H 2s 0.017952 0.039151 0.035503 -0.059150 0.017187 -0.056170 14H 3s -0.010271 0.024127 -0.070785 -0.048603 0.017341 -0.019060 14H 1pz 0.008490 0.012544 0.019566 -0.017534 0.000929 -0.018131 14H 1px 0.011814 0.012541 0.012923 -0.020605 0.013504 -0.023719 14H 1py 0.010626 0.002163 -0.001441 -0.002576 0.011361 -0.009492 15H 1s 0.000035 0.000979 -0.006452 -0.005253 0.011435 0.003174 15H 2s -0.001275 0.035547 -0.013162 -0.045147 -0.004544 -0.003738 15H 3s -0.002472 0.026899 -0.034657 -0.035853 0.008141 -0.024715 15H 1pz -0.002842 -0.004336 0.009505 0.013811 -0.009923 0.005458 15H 1px 0.003052 0.006124 0.002784 -0.005564 0.002898 -0.005850 15H 1py -0.000574 -0.006513 -0.007965 -0.001303 0.007455 -0.004146 16H 1s -0.086322 -0.005614 0.052588 0.002174 0.063031 -0.016636 16H 2s -0.106885 0.000265 0.000789 0.063177 -0.008446 -0.036807 16H 3s -0.004663 0.002494 -0.006252 -0.031235 -0.043374 -0.002092 16H 1pz -0.081369 -0.001625 0.025672 0.023768 0.023438 -0.023048 16H 1px 0.008799 -0.000562 0.010707 -0.013089 0.018460 0.000873 16H 1py -0.054094 -0.003600 0.015889 0.007900 0.013179 -0.003857 17H 1s -0.077235 -0.002061 -0.001425 0.007974 -0.059163 -0.025080 17H 2s -0.111934 -0.000236 -0.011685 -0.005061 0.017507 -0.046027 17H 3s -0.001367 -0.000748 0.039450 0.008664 0.020482 -0.011461 17H 1pz 0.041536 0.002383 0.003200 -0.004112 0.026337 0.015794 17H 1px 0.057789 0.001544 -0.000834 0.003542 -0.005924 0.017249 17H 1py -0.062934 -0.002543 0.004492 0.006170 -0.015264 -0.009438 18H 1s 0.076983 -0.002483 0.000456 -0.006658 0.058490 -0.019774 18H 2s 0.111900 -0.001925 0.011638 0.006337 -0.011094 -0.049111 18H 3s 0.001276 0.008077 -0.037654 -0.009378 -0.018705 -0.013204 18H 1pz 0.042880 -0.003052 0.002486 -0.003722 0.027797 -0.014003 18H 1px 0.058047 -0.000796 -0.001244 0.004295 -0.004334 -0.018269 18H 1py -0.061466 0.001503 0.005316 0.005299 -0.014420 0.008190 19H 1s 0.086434 0.007222 -0.052658 -0.001424 -0.062728 -0.022051 19H 2s 0.106866 -0.002000 0.000166 -0.062595 0.012783 -0.035299 19H 3s 0.004518 0.002484 0.006532 0.030983 0.043716 0.002105 19H 1pz -0.080298 -0.003685 0.024918 0.023102 0.021209 0.024478 19H 1px 0.009437 -0.002541 0.010338 -0.012979 0.017853 0.000705 19H 1py -0.055609 -0.000043 0.017039 0.007716 0.014265 0.005323 20H 1s -0.000180 -0.000399 0.006281 0.005001 -0.011856 0.002127 20H 2s 0.000904 0.032632 0.021184 0.042635 0.005108 -0.002902 20H 3s 0.002215 0.019233 0.041086 0.034480 -0.004962 -0.025360 20H 1pz -0.003071 0.002469 0.010240 0.013457 -0.009475 -0.006304 20H 1px 0.003054 -0.006892 0.001105 -0.005490 0.002518 0.006076 20H 1py -0.000633 0.007770 -0.006352 -0.002051 0.006917 0.004885 21H 1s -0.016196 0.013616 -0.011657 0.015765 -0.018041 -0.029594 21H 2s -0.018046 0.048109 -0.023302 0.057099 -0.011453 -0.056751 21H 3s 0.009804 0.008742 0.074190 0.047160 -0.015950 -0.020533 21H 1pz 0.008563 -0.017564 0.015709 -0.017051 -0.001290 0.018017 21H 1px 0.011772 -0.015715 0.008940 -0.019789 0.010951 0.024356 21H 1py 0.010655 -0.001898 -0.002050 -0.002649 0.010787 0.010523 22H 1s 0.033632 0.005996 -0.010856 -0.002014 0.044637 0.032294 22H 2s 0.036421 0.031847 -0.014221 0.015612 0.117583 0.026380 22H 3s 0.013019 0.003524 0.089854 0.066822 -0.064552 -0.001674 22H 1pz -0.017029 -0.005979 0.004635 -0.001133 -0.035721 -0.013055 22H 1px 0.020168 0.008590 -0.006329 0.003091 0.035581 0.018270 22H 1py 0.003294 0.008000 0.001140 0.009269 0.016285 0.000807 23H 1s -0.016105 0.007141 0.003551 -0.003247 0.021669 -0.005774 23H 2s -0.025305 0.030025 -0.021011 -0.007295 0.031256 -0.036003 23H 3s -0.014151 0.013913 -0.037321 0.067653 0.003595 -0.007953 23H 1pz -0.011841 0.000970 0.005106 0.008552 0.009277 -0.004935 23H 1px 0.004504 0.000555 -0.001908 -0.005396 -0.007969 0.000441 23H 1py 0.016038 -0.016018 0.007496 0.015448 -0.016205 -0.002765 24H 1s -0.005105 -0.002461 0.005680 0.009328 0.011309 0.012521 24H 2s -0.010760 0.021411 -0.022253 0.018041 0.005638 0.028926 24H 3s -0.014745 0.019091 -0.027907 0.045436 0.002776 0.019063 24H 1pz -0.004582 0.000685 -0.005607 0.009163 0.006858 0.001990 24H 1px 0.008006 -0.005682 0.002064 -0.005160 -0.008742 0.000208 24H 1py -0.007389 -0.002706 0.000158 0.010480 0.005724 0.012909 25H 1s 0.038631 0.008750 -0.023629 -0.021518 -0.030228 -0.000693 25H 2s 0.043711 0.031036 -0.066937 -0.050896 -0.091368 0.032545 25H 3s -0.024198 0.015226 -0.040047 0.118572 0.042540 0.003388 25H 1pz -0.008115 -0.011598 0.020395 0.008318 0.018106 -0.013681 25H 1px 0.028714 0.009122 -0.023059 -0.019591 -0.030980 0.001142 25H 1py -0.004694 0.001769 0.002787 0.000326 0.009021 0.012417 26O 1s 0.000555 -0.000021 -0.000567 0.000036 -0.000640 -0.000082 26O 2s 0.002076 -0.000165 -0.001638 -0.000844 -0.002143 -0.000140 26O 3s -0.059290 0.003361 0.026993 0.042613 0.046860 -0.007643 26O 4s 0.388347 0.000641 -0.179145 -0.097501 -0.186909 0.064908 26O 5s -0.130947 -0.074716 0.194499 -0.843438 -0.422489 0.073979 26O 1pz 0.031097 0.019726 -0.000491 0.024542 -0.040830 0.035700 26O 1px 0.001106 0.007687 0.017056 -0.033210 -0.041982 0.019592 26O 1py -0.001052 -0.026632 -0.055346 -0.020600 -0.012945 -0.046645 26O 2pz -0.169268 -0.077590 0.016612 -0.043715 0.218544 -0.148929 26O 2px -0.108537 -0.021398 -0.069145 0.275510 0.222639 -0.107279 26O 2py -0.060403 0.109834 0.231142 0.170012 0.104420 0.175834 26O 3pz -0.218606 -0.111922 0.150356 -0.267196 0.186686 -0.051821 26O 3px -0.282650 -0.047081 0.059154 0.220486 0.311699 -0.077370 26O 3py -0.169471 0.105058 0.348062 -0.001726 0.160290 0.106889 26O 1dz2 0.144252 0.067330 -0.096655 0.074781 -0.153562 -0.009790 26O 1dxz 0.065774 -0.145814 -0.207405 -0.211530 0.049275 -0.191259 26O 1dyz 0.182681 -0.075425 -0.259588 0.044850 -0.074457 -0.019542 26O 1dx2y2 -0.208892 -0.173452 -0.178729 -0.029407 0.266525 -0.284414 26O 1dxy 0.148944 0.235559 0.347039 0.097137 -0.057261 0.281889 26O 2dz2 -0.103411 -0.034571 0.086612 0.001400 0.138001 0.028074 26O 2dxz 0.115024 0.179366 0.136419 0.209422 -0.201703 0.264020 26O 2dyz -0.081722 0.071592 0.180117 -0.031292 0.006624 0.047286 26O 2dx2y2 0.140246 0.198306 0.298826 -0.018643 -0.235129 0.321977 26O 2dxy -0.085831 -0.254221 -0.403565 -0.171139 0.000670 -0.316319 26O 1f0 0.134091 0.050586 -0.026591 0.041156 -0.138503 0.093600 26O 1f+1 -0.083536 -0.014694 0.035084 -0.034230 0.036954 -0.036402 26O 1f-1 -0.021709 -0.045695 -0.058336 -0.050602 0.014632 -0.078318 26O 1f+2 -0.126786 -0.079257 -0.028872 -0.048194 0.130816 -0.120394 26O 1f-2 -0.133778 -0.047135 0.042403 -0.039703 0.139996 -0.078366 26O 1f+3 -0.051339 0.132773 0.291178 0.036293 0.000409 0.190275 26O 1f-3 -0.037954 -0.054488 -0.082902 -0.053730 -0.015079 -0.085601 27O 1s 0.000312 -0.000192 0.000251 0.000139 0.000498 0.000449 27O 2s 0.001020 -0.000509 -0.000310 0.000193 0.001575 0.000872 27O 3s -0.036217 0.002266 0.034192 0.010827 -0.045879 0.026993 27O 4s 0.334751 0.013020 -0.084315 -0.038094 0.233773 -0.335022 27O 5s -0.367171 0.014195 -0.686026 -0.309119 0.438486 0.118691 27O 1pz 0.022202 -0.025709 -0.002141 0.041870 0.021792 -0.006941 27O 1px -0.015934 -0.007068 -0.026302 -0.005072 0.042774 0.010790 27O 1py -0.020342 -0.019301 -0.030312 0.029250 -0.027450 0.033149 27O 2pz -0.096917 0.101647 0.013606 -0.159580 -0.122998 0.013776 27O 2px -0.006366 0.013965 0.256728 0.079916 -0.261939 0.071849 27O 2py 0.115393 0.081900 0.071666 -0.151862 0.189164 -0.170298 27O 3pz -0.122339 0.143039 -0.131869 -0.209916 -0.114430 0.043345 27O 3px -0.233268 0.006340 0.148723 0.091536 -0.393623 0.120171 27O 3py 0.269249 0.083878 0.270234 -0.064516 0.179222 -0.079177 27O 1dz2 -0.037702 -0.123436 -0.045270 0.097682 0.090719 0.010138 27O 1dxz 0.093921 0.265880 0.106514 -0.421396 0.061786 -0.199142 27O 1dyz -0.196961 -0.032058 -0.175964 0.028810 -0.138551 0.262421 27O 1dx2y2 -0.161435 0.033731 -0.048392 -0.059993 -0.272166 0.061527 27O 1dxy -0.156345 0.173363 0.183789 -0.215773 -0.154817 0.060347 27O 2dz2 0.029731 0.097543 0.078336 -0.058792 -0.114663 0.001603 27O 2dxz 0.034143 -0.293531 -0.088853 0.454397 0.075926 0.110962 27O 2dyz 0.155595 0.049633 0.161425 -0.057903 0.110173 -0.220037 27O 2dx2y2 0.071764 -0.062205 -0.068548 0.072764 0.234571 0.011408 27O 2dxy -0.003346 -0.200641 -0.205831 0.279820 -0.026887 0.100472 27O 1f0 0.093178 -0.082150 -0.004944 0.124785 0.112307 -0.048557 27O 1f+1 -0.029748 -0.026149 -0.021492 0.025375 0.029624 0.036170 27O 1f-1 -0.037616 -0.035434 -0.033511 0.052072 -0.047277 0.036011 27O 1f+2 -0.113132 0.098731 0.029481 -0.135644 -0.133628 0.029406 27O 1f-2 0.029387 -0.057096 -0.020683 0.079985 0.048480 0.002557 27O 1f+3 -0.135433 -0.074464 -0.105206 0.100826 -0.078436 0.179714 27O 1f-3 -0.126117 -0.076760 -0.101243 0.128315 -0.158142 0.133174 28O 1s 0.000311 -0.000106 -0.000209 0.000142 0.000061 0.000168 28O 2s 0.000953 -0.000278 -0.000493 -0.000455 -0.000531 0.000473 28O 3s 0.012529 0.004328 -0.011799 0.034375 0.011060 0.001251 28O 4s -0.268185 -0.006560 0.101069 -0.037697 0.024446 -0.071478 28O 5s 0.257575 -0.072623 0.287067 -0.933370 -0.095318 0.111868 28O 1pz -0.001618 0.014889 0.044210 -0.003587 0.020502 -0.007968 28O 1px -0.022202 0.014275 0.007012 0.049234 -0.001645 -0.011970 28O 1py -0.027520 -0.029872 -0.030932 -0.005430 0.036851 0.004495 28O 2pz 0.073735 -0.049479 -0.243524 0.136895 -0.073832 0.034170 28O 2px 0.045713 -0.059438 -0.003033 -0.289740 -0.048139 0.027316 28O 2py 0.135440 0.123650 0.096283 0.062844 -0.164719 -0.001870 28O 3pz 0.289058 -0.077196 -0.319861 -0.091704 -0.270717 0.082052 28O 3px -0.117093 -0.079618 0.095548 -0.301669 0.014703 0.042988 28O 3py 0.193748 0.127965 0.073310 -0.094220 -0.225048 -0.053043 28O 1dz2 -0.242159 -0.128800 -0.099801 -0.093379 0.158004 -0.076231 28O 1dxz -0.024910 0.109136 0.211115 0.092648 0.141371 -0.057954 28O 1dyz -0.198517 0.133592 0.307194 0.165592 0.088745 -0.046181 28O 1dx2y2 0.144872 0.146738 0.035962 0.111875 -0.159470 -0.048489 28O 1dxy -0.114057 -0.245185 -0.339974 -0.001476 0.203552 -0.001710 28O 2dz2 0.102227 0.165732 0.244812 0.124146 -0.059982 0.034036 28O 2dxz 0.026090 -0.097381 -0.237706 0.003396 -0.119984 0.050592 28O 2dyz 0.072477 -0.166835 -0.279805 -0.158902 0.008284 0.026611 28O 2dx2y2 -0.022429 -0.130491 -0.080597 -0.174045 0.047729 0.069856 28O 2dxy 0.197066 0.273804 0.318381 0.027773 -0.274592 0.007522 28O 1f0 0.078516 -0.064216 -0.139953 -0.066364 -0.041749 0.018899 28O 1f+1 -0.076769 0.086409 0.217579 0.058033 0.085437 -0.027426 28O 1f-1 0.060389 0.025073 -0.003172 -0.008897 -0.076730 0.017225 28O 1f+2 -0.105612 -0.019507 0.003147 0.045814 0.057001 -0.023465 28O 1f-2 -0.137960 -0.124292 -0.091496 -0.047812 0.154007 -0.003084 28O 1f+3 -0.114073 0.014097 0.074320 0.046713 0.078107 -0.041379 28O 1f-3 -0.092398 -0.095787 -0.089547 -0.027762 0.107184 0.000676 29O 1s 0.003528 0.000184 -0.000954 -0.000305 -0.000012 0.000351 29O 2s 0.011608 0.000592 -0.003093 -0.001017 -0.000060 0.001492 29O 3s -0.162967 -0.007858 0.040498 0.015930 0.001473 -0.025958 29O 4s 0.390100 0.019565 -0.100507 -0.035627 -0.001513 0.058675 29O 5s -0.147629 -0.017023 0.095034 -0.017945 -0.019921 0.046945 29O 1pz 0.006273 0.000828 -0.012144 -0.003658 -0.022607 0.001679 29O 1px -0.009453 -0.000085 -0.001667 -0.000216 -0.006152 -0.004918 29O 1py 0.018608 0.000815 -0.002596 -0.002556 0.001077 0.004602 29O 2pz -0.041822 -0.002501 0.049766 0.025746 0.084635 -0.008663 29O 2px 0.071454 0.001848 0.005037 -0.004934 0.023977 0.023068 29O 2py -0.115566 -0.004846 0.017832 0.015250 -0.004341 -0.029759 29O 3pz -0.020276 -0.001265 -0.008827 0.011615 -0.066566 -0.000290 29O 3px 0.068811 0.004103 -0.049308 0.015249 -0.007399 0.015183 29O 3py -0.012141 0.004381 -0.015426 0.008738 0.009586 -0.019255 29O 1dz2 -0.052300 -0.002703 0.027578 -0.018664 0.048858 -0.005143 29O 1dxz -0.008867 0.002560 -0.009000 0.030071 -0.042969 -0.018387 29O 1dyz 0.008992 -0.004227 0.033211 0.013603 0.026468 0.003455 29O 1dx2y2 -0.039012 -0.004148 0.005791 0.025249 -0.027748 0.030769 29O 1dxy 0.008985 0.003208 -0.026329 0.017926 0.033392 0.013824 29O 2dz2 0.090652 0.004040 -0.039754 0.004062 -0.059208 0.013757 29O 2dxz 0.037957 -0.001290 0.011933 -0.025158 0.052232 0.023427 29O 2dyz -0.000330 0.003424 -0.040589 -0.020297 -0.044010 -0.002535 29O 2dx2y2 0.027457 0.003441 -0.001001 -0.018871 0.029129 -0.026832 29O 2dxy -0.043503 -0.003650 0.021062 -0.012446 -0.035628 -0.022408 29O 1f0 -0.070275 -0.004107 0.016954 0.005450 0.001048 -0.013709 29O 1f+1 0.032377 0.001403 -0.012571 -0.001903 -0.010471 0.004652 29O 1f-1 -0.069388 -0.002422 0.028368 0.005296 0.031504 -0.016592 29O 1f+2 0.033602 0.001756 -0.011147 -0.006184 -0.000106 0.003601 29O 1f-2 -0.038010 -0.000804 -0.006878 0.006635 -0.039794 -0.014586 29O 1f+3 0.024195 0.001333 -0.003901 -0.002151 0.008516 0.003002 29O 1f-3 0.024965 0.000253 0.006206 -0.006134 0.020213 0.006427 30O 1s 0.000043 -0.000108 0.000074 0.000228 -0.000172 -0.000347 30O 2s -0.000236 -0.000377 -0.000411 0.000423 -0.000129 -0.000504 30O 3s 0.035041 0.005473 0.029242 0.003058 0.008935 -0.030431 30O 4s -0.304255 -0.027758 -0.031283 0.030794 -0.171012 0.327868 30O 5s 0.029626 0.060291 -0.864093 -0.372416 0.224467 -0.104459 30O 1pz -0.004711 -0.029842 -0.039895 0.041306 -0.015813 0.032990 30O 1px -0.012208 -0.010051 0.035249 0.026023 -0.022419 0.028528 30O 1py 0.015427 -0.019108 0.006135 0.024043 0.041301 0.000435 30O 2pz 0.088295 0.116728 0.235868 -0.139376 0.067004 -0.198575 30O 2px -0.005982 0.038453 -0.189472 -0.135007 0.119171 -0.036240 30O 2py -0.148963 0.077370 -0.121618 -0.129004 -0.182033 0.058236 30O 3pz 0.219817 0.137168 0.106265 -0.192554 0.240006 -0.106801 30O 3px -0.132742 0.034354 -0.254934 -0.145034 0.025303 0.039415 30O 3py -0.259430 0.103920 0.040635 -0.027674 -0.452984 0.070471 30O 1dz2 -0.027594 0.187928 0.044878 -0.323828 -0.006582 -0.229475 30O 1dxz -0.081058 -0.247564 -0.165580 0.329474 -0.107892 0.173850 30O 1dyz 0.207626 -0.000075 -0.072283 -0.008091 0.155387 -0.158952 30O 1dx2y2 0.204425 0.006645 0.102387 -0.034701 0.135854 -0.194249 30O 1dxy 0.094040 -0.188693 -0.129748 0.183636 0.289680 -0.003395 30O 2dz2 -0.016821 -0.240260 -0.074017 0.397647 -0.043881 0.296670 30O 2dxz 0.057595 0.246582 0.224043 -0.309090 0.048076 -0.166649 30O 2dyz -0.086814 0.026229 0.119913 -0.027084 -0.045949 0.037055 30O 2dx2y2 -0.033846 -0.017273 -0.110126 0.012802 0.077271 0.045687 30O 2dxy -0.115512 0.205768 0.069248 -0.233046 -0.279045 -0.016217 30O 1f0 0.027898 0.021501 -0.007410 -0.036070 0.004553 -0.046559 30O 1f+1 -0.040653 -0.134791 -0.079413 0.197287 -0.041960 0.151601 30O 1f-1 -0.035307 -0.110199 -0.070166 0.155955 -0.039749 0.122789 30O 1f+2 -0.131619 0.047073 0.041899 -0.031922 -0.198408 0.106704 30O 1f-2 0.024717 0.013873 0.060465 -0.025027 0.057370 -0.006103 30O 1f+3 -0.130031 0.056240 0.019062 -0.053951 -0.196441 0.048745 30O 1f-3 -0.089512 -0.050303 -0.004911 0.085136 -0.092764 0.124547 31O 1s -0.000057 -0.000088 -0.000109 -0.000219 0.000199 -0.000336 31O 2s 0.000197 -0.000448 0.000281 -0.000392 0.000170 -0.000516 31O 3s -0.034808 0.011492 -0.027063 -0.003497 -0.006446 -0.030555 31O 4s 0.305496 -0.033855 0.024704 -0.029637 0.144025 0.339185 31O 5s -0.031541 -0.126989 0.854938 0.371767 -0.213963 -0.122070 31O 1pz -0.004944 0.040230 -0.031019 0.040172 -0.012169 -0.034177 31O 1px -0.012511 0.002766 0.036737 0.025816 -0.019769 -0.030274 31O 1py 0.015322 0.018146 0.011018 0.023308 0.041876 0.003722 31O 2pz 0.089555 -0.174682 0.199099 -0.134755 0.046327 0.202738 31O 2px -0.005175 0.000142 -0.194249 -0.134415 0.114743 0.047188 31O 2py -0.148850 -0.052586 -0.139181 -0.126365 -0.179700 -0.075601 31O 3pz 0.221055 -0.166022 0.070594 -0.186062 0.232676 0.127830 31O 3px -0.132220 0.019495 -0.256894 -0.143918 0.027491 -0.036492 31O 3py -0.259503 -0.111666 0.013253 -0.022929 -0.447757 -0.112657 31O 1dz2 0.025601 0.207873 0.006309 0.317510 0.034206 -0.226132 31O 1dxz 0.083031 -0.294093 0.098856 -0.318869 0.089805 0.181926 31O 1dyz -0.208911 -0.016770 0.068287 0.008288 -0.144946 -0.172182 31O 1dx2y2 -0.205879 0.031782 -0.097097 0.035249 -0.116878 -0.205318 31O 1dxy -0.093666 -0.221470 0.078162 -0.175239 -0.293302 -0.032840 31O 2dz2 0.019433 -0.268835 0.008857 -0.389270 0.009528 0.297290 31O 2dxz -0.059274 0.305624 -0.155536 0.298353 -0.029890 -0.168872 31O 2dyz 0.087216 0.054774 -0.108593 0.025936 0.045928 0.041039 31O 2dx2y2 0.034130 -0.042729 0.101452 -0.012215 -0.083790 0.037495 31O 2dxy 0.114857 0.226291 -0.014575 0.224372 0.285156 0.012292 31O 1f0 0.028418 -0.020810 -0.012761 -0.035528 -0.000448 0.046308 31O 1f+1 -0.041965 0.158443 -0.042450 0.192242 -0.025323 -0.153736 31O 1f-1 -0.036401 0.130466 -0.039880 0.151727 -0.026216 -0.124997 31O 1f+2 -0.132353 -0.056715 0.028114 -0.029409 -0.190687 -0.125269 31O 1f-2 0.024659 -0.028684 0.054957 -0.024331 0.056158 0.011510 31O 1f+3 -0.130283 -0.061337 0.003360 -0.051473 -0.194483 -0.067440 31O 1f-3 -0.090562 0.053935 0.007639 0.083550 -0.081291 -0.132066 32O 1s -0.003526 -0.000044 0.000990 0.000271 0.000051 0.000361 32O 2s -0.011598 -0.000147 0.003202 0.000903 0.000142 0.001519 32O 3s 0.162825 0.001730 -0.041829 -0.014341 -0.001699 -0.026326 32O 4s -0.389756 -0.004258 0.103678 0.032050 0.001880 0.059309 32O 5s 0.147466 0.006655 -0.098479 0.018279 0.010069 0.048281 32O 1pz 0.005837 0.001921 -0.011846 -0.003627 -0.022386 -0.003425 32O 1px -0.009645 0.000433 -0.001480 -0.000424 -0.006088 0.004386 32O 1py 0.018710 -0.000149 -0.003095 -0.002392 0.000591 -0.004551 32O 2pz -0.039055 -0.008253 0.048225 0.025536 0.083674 0.014231 32O 2px 0.072491 -0.002879 0.003919 -0.004001 0.024492 -0.021581 32O 2py -0.115968 0.000443 0.019902 0.014516 -0.003679 0.029647 32O 3pz -0.019691 0.004005 -0.008211 0.011578 -0.065897 -0.006425 32O 3px 0.068706 0.008544 -0.048599 0.014992 -0.005582 -0.015975 32O 3py -0.012089 -0.000130 -0.017518 0.009131 0.003940 0.019954 32O 1dz2 0.052589 0.004986 -0.026913 0.019968 -0.049271 -0.009419 32O 1dxz 0.009039 -0.001237 0.009448 -0.029075 0.043418 -0.014927 32O 1dyz -0.005863 0.003240 -0.033726 -0.014412 -0.027190 0.000888 32O 1dx2y2 0.039105 -0.003733 -0.007150 -0.024827 0.024361 0.031896 32O 1dxy -0.008008 -0.004355 0.026732 -0.018552 -0.032507 0.010351 32O 2dz2 -0.090851 -0.005833 0.038561 -0.005881 0.057934 0.018690 32O 2dxz -0.038336 0.002833 -0.012128 0.023709 -0.053382 0.019453 32O 2dyz -0.004207 -0.005467 0.041099 0.021498 0.044893 0.001440 32O 2dx2y2 -0.027707 0.004020 0.001964 0.018307 -0.026722 -0.028177 32O 2dxy 0.042020 0.002573 -0.021895 0.013392 0.034947 -0.018937 32O 1f0 -0.065688 0.000254 0.015957 0.004327 -0.000867 0.012574 32O 1f+1 0.035357 0.001518 -0.012878 -0.001984 -0.009203 -0.006535 32O 1f-1 -0.072042 -0.004333 0.028622 0.004656 0.030504 0.019804 32O 1f+2 0.037024 0.000805 -0.012025 -0.006482 0.000026 -0.004575 32O 1f-2 -0.036330 0.002696 -0.007158 0.005777 -0.040605 0.010855 32O 1f+3 0.022747 -0.000157 -0.004574 -0.001826 0.007109 -0.002048 32O 1f-3 0.024203 -0.001977 0.006044 -0.005526 0.019971 -0.004708 33O 1s -0.000313 -0.000152 0.000178 -0.000145 -0.000055 0.000161 33O 2s -0.000962 -0.000352 0.000414 0.000443 0.000550 0.000523 33O 3s -0.012270 -0.000286 0.012365 -0.034257 -0.011550 0.000289 33O 4s 0.267045 0.019876 -0.098494 0.038023 -0.020626 -0.076064 33O 5s -0.259409 0.039020 -0.297491 0.932544 0.088591 0.127714 33O 1pz -0.001567 -0.025363 0.039838 -0.002550 0.020555 0.010174 33O 1px -0.022130 -0.013292 0.003713 0.049766 -0.001659 0.012287 33O 1py -0.027649 0.035917 -0.023661 -0.007195 0.036007 -0.001066 33O 2pz 0.072793 0.113079 -0.226318 0.132550 -0.074632 -0.042155 33O 2px 0.045947 0.045553 0.009771 -0.291999 -0.049138 -0.033962 33O 2py 0.135923 -0.139191 0.067046 0.070119 -0.159512 -0.013438 33O 3pz 0.288851 0.146780 -0.292003 -0.095654 -0.266903 -0.112785 33O 3px -0.116370 0.040521 0.111690 -0.304159 0.018314 -0.041766 33O 3py 0.195082 -0.144785 0.042338 -0.086936 -0.229344 0.028899 33O 1dz2 0.241989 -0.144163 0.071325 0.101777 -0.144677 -0.091130 33O 1dxz 0.024391 0.153285 -0.180587 -0.098911 -0.137325 -0.072737 33O 1dyz 0.198720 0.194921 -0.268181 -0.172733 -0.094988 -0.058726 33O 1dx2y2 -0.145526 0.144417 -0.000909 -0.118402 0.163111 -0.032655 33O 1dxy 0.115335 -0.317789 0.277024 0.016149 -0.195797 -0.019442 33O 2dz2 -0.102803 0.213756 -0.203752 -0.134802 0.047985 0.038009 33O 2dxz -0.025427 -0.152549 0.209437 0.002894 0.116921 0.063213 33O 2dyz -0.072478 -0.220249 0.234226 0.167954 -0.000395 0.029154 33O 2dx2y2 0.022874 -0.137101 0.048136 0.179714 -0.051600 0.065985 33O 2dxy -0.198494 0.338865 -0.249840 -0.044064 0.265288 0.032491 33O 1f0 0.077756 0.092760 -0.121747 -0.069904 -0.043849 -0.024430 33O 1f+1 -0.076255 -0.134018 0.193202 0.063678 0.087669 0.037662 33O 1f-1 0.060359 -0.023051 -0.008938 -0.007580 -0.074476 -0.024693 33O 1f+2 -0.105694 0.020419 0.006868 0.044102 0.056100 0.029573 33O 1f-2 -0.138487 0.139011 -0.061443 -0.054644 0.149288 0.017725 33O 1f+3 -0.114210 -0.029383 0.068696 0.047181 0.076055 0.050096 33O 1f-3 -0.092911 0.112595 -0.066404 -0.033380 0.103890 0.009251 34O 1s -0.000314 -0.000128 -0.000291 -0.000134 -0.000536 0.000384 34O 2s -0.001032 -0.000554 0.000176 -0.000175 -0.001658 0.000668 34O 3s 0.036632 0.009398 -0.032616 -0.011149 0.043921 0.031790 34O 4s -0.337319 -0.004813 0.084236 0.039250 -0.207090 -0.356330 34O 5s 0.366052 -0.130993 0.669589 0.308813 -0.447101 0.075045 34O 1pz 0.022272 0.027354 0.004639 0.040603 0.022797 0.009383 34O 1px -0.015734 0.012587 -0.023756 -0.005416 0.043989 -0.006387 34O 1py -0.020714 0.027190 -0.024635 0.028381 -0.023498 -0.035380 34O 2pz -0.097164 -0.108990 -0.013634 -0.154719 -0.128528 -0.027008 34O 2px -0.007777 -0.069006 0.245705 0.081592 -0.257853 -0.097464 34O 2py 0.117141 -0.103451 0.049059 -0.148544 0.169877 0.186522 34O 3pz -0.122335 -0.117129 -0.163402 -0.202842 -0.113097 -0.055374 34O 3px -0.234163 -0.036246 0.142478 0.092734 -0.384141 -0.157560 34O 3py 0.269509 -0.147142 0.242458 -0.059692 0.169954 0.095839 34O 1dz2 0.037827 -0.134586 0.014738 -0.091635 -0.091242 0.000519 34O 1dxz -0.095481 0.301915 -0.035591 0.409458 -0.032392 -0.199927 34O 1dyz 0.198720 -0.073550 0.163266 -0.028063 0.111931 0.273049 34O 1dx2y2 0.162766 0.023895 0.057641 0.058676 0.271943 0.088194 34O 1dxy 0.156342 0.220983 -0.134133 0.206698 0.158361 0.075898 34O 2dz2 -0.029565 0.115308 -0.053068 0.053834 0.114525 0.013492 34O 2dxz -0.033340 -0.326015 0.010655 -0.440875 -0.100079 0.098876 34O 2dyz -0.157101 0.088562 -0.144457 0.056230 -0.086610 -0.228173 34O 2dx2y2 -0.072490 -0.079247 0.049411 -0.070021 -0.241568 -0.012623 34O 2dxy 0.004642 -0.255587 0.149075 -0.270010 0.008323 0.100830 34O 1f0 0.093642 0.086449 0.016946 0.120808 0.113040 0.060081 34O 1f+1 -0.029663 0.031425 -0.014508 0.024310 0.033482 -0.032512 34O 1f-1 -0.038061 0.044607 -0.023781 0.050366 -0.042840 -0.039976 34O 1f+2 -0.113482 -0.108690 0.002912 -0.130745 -0.136639 -0.043295 34O 1f-2 0.029385 0.063932 -0.005221 0.077476 0.051905 0.002736 34O 1f+3 -0.136641 0.101286 -0.083695 0.097794 -0.059142 -0.184916 34O 1f-3 -0.127416 0.104059 -0.079186 0.124757 -0.142541 -0.146558 35O 1s -0.000553 -0.000156 0.000549 -0.000032 0.000649 -0.000020 35O 2s -0.002076 -0.000511 0.001565 0.000853 0.002181 0.000072 35O 3s 0.059396 0.007941 -0.025600 -0.042594 -0.047213 -0.012505 35O 4s -0.388192 -0.039103 0.174484 0.096849 0.187140 0.085384 35O 5s 0.126438 0.011420 -0.207278 0.843637 0.416330 0.116422 35O 1pz 0.031000 -0.017799 -0.004821 0.025680 -0.037449 -0.039646 35O 1px 0.001262 -0.013019 0.014821 -0.032536 -0.040027 -0.023710 35O 1py -0.000975 0.038037 -0.047818 -0.022336 -0.017908 0.044676 35O 2pz -0.168937 0.068661 0.033103 -0.048420 0.204376 0.170569 35O 2px -0.109576 0.049086 -0.062431 0.272453 0.214237 0.129756 35O 2py -0.061193 -0.154099 0.200270 0.176984 0.124941 -0.162150 35O 3pz -0.216851 0.059510 0.173473 -0.271734 0.182678 0.070630 35O 3px -0.282574 0.039195 0.069174 0.217879 0.307199 0.109391 35O 3py -0.168888 -0.185099 0.314152 0.005249 0.169210 -0.089166 35O 1dz2 -0.143639 0.038196 0.110629 -0.077164 0.158141 0.006913 35O 1dxz -0.065797 -0.181739 0.169305 0.220603 -0.027033 -0.193254 35O 1dyz -0.181811 -0.137720 0.234972 -0.040374 0.077388 -0.010223 35O 1dx2y2 0.209184 -0.208249 0.135357 0.040444 -0.236331 -0.309284 35O 1dxy -0.148429 0.305234 -0.283493 -0.111440 0.029155 0.284291 35O 2dz2 0.103215 -0.012360 -0.093484 -0.000516 -0.144134 0.012847 35O 2dxz -0.114594 0.196708 -0.093108 -0.220472 0.173871 0.281785 35O 2dyz 0.081013 0.114225 -0.158946 0.026905 -0.011152 0.045447 35O 2dx2y2 -0.140467 0.263346 -0.246408 0.005470 0.200410 0.342724 35O 2dxy 0.084829 -0.333675 0.334412 0.186594 0.032527 -0.311993 35O 1f0 0.133771 -0.040439 -0.036714 0.044228 -0.129776 -0.107488 35O 1f+1 -0.083163 0.004064 0.036901 -0.035058 0.033678 0.040015 35O 1f-1 -0.021352 0.055880 -0.046802 -0.053631 0.006722 0.078941 35O 1f+2 -0.126284 0.080918 -0.010488 -0.052836 0.118715 0.132712 35O 1f-2 -0.133603 0.033608 0.051403 -0.042499 0.133583 0.092807 35O 1f+3 -0.051655 -0.196450 0.253336 0.045037 0.022242 -0.187350 35O 1f-3 -0.037531 0.069519 -0.068084 -0.057054 -0.023480 0.082814 714 715 716 717 718 719 6.79011 6.79071 6.84398 6.86821 6.87115 6.89023 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s -0.000030 0.000013 0.000017 -0.000055 0.000002 0.000077 0Rh 2s 0.000596 -0.000381 0.000053 -0.000127 0.000139 -0.000499 0Rh 3s 0.000168 -0.000143 0.000133 -0.000407 0.000094 0.000180 0Rh 4s -0.003688 0.002340 -0.000218 0.000514 -0.000850 0.003392 0Rh 5s 0.011814 -0.007671 0.000810 -0.003124 0.003245 -0.010194 0Rh 6s -0.022157 0.014973 -0.001847 0.013800 -0.008696 0.014086 0Rh 7s 0.093162 -0.058680 -0.004001 -0.077540 0.047783 -0.036540 0Rh 8s -0.035490 0.016385 -0.007463 0.041467 -0.017506 0.038312 0Rh 1pz 0.040859 -0.023718 0.000045 -0.007723 0.040943 -0.001389 0Rh 1px 0.006676 -0.010051 -0.000242 0.008913 0.012471 0.001184 0Rh 1py 0.024764 0.017933 0.000134 -0.039011 -0.005719 -0.000429 0Rh 2pz -0.173587 0.100799 -0.000192 0.032781 -0.173821 0.005900 0Rh 2px -0.028350 0.042714 0.001021 -0.037847 -0.052940 -0.005014 0Rh 2py -0.105233 -0.076222 -0.000566 0.165608 0.024314 0.001841 0Rh 3pz 0.615903 -0.358275 0.000670 -0.115675 0.614017 -0.020850 0Rh 3px 0.100241 -0.151683 -0.003496 0.133830 0.186883 0.017334 0Rh 3py 0.373802 0.271097 0.001963 -0.584830 -0.086541 -0.006997 0Rh 4pz -0.906723 0.528743 -0.000981 0.169081 -0.899830 0.030386 0Rh 4px -0.145766 0.223037 0.004828 -0.196480 -0.273256 -0.023667 0Rh 4py -0.550504 -0.400288 -0.002757 0.856606 0.128042 0.012189 0Rh 5pz 0.584189 -0.341281 0.000943 -0.110217 0.595936 -0.019885 0Rh 5px 0.088076 -0.140989 -0.002965 0.129651 0.179788 0.012118 0Rh 5py 0.350833 0.257646 0.001599 -0.567067 -0.084440 -0.013933 0Rh 6pz 0.245950 -0.127866 -0.017023 -0.062836 0.364845 0.015054 0Rh 6px 0.072738 -0.079144 0.013545 0.074906 0.111356 -0.012493 0Rh 6py 0.184076 0.137943 -0.006291 -0.375018 -0.036194 0.069850 0Rh 1dz2 -0.004004 -0.003115 -0.000062 0.000533 0.001247 -0.005177 0Rh 1dxz 0.001852 -0.003855 0.000084 0.000985 -0.002974 -0.002421 0Rh 1dyz 0.000303 0.002524 -0.000029 -0.000924 -0.000900 0.002442 0Rh 1dx2y2 -0.000628 -0.004250 0.000095 -0.001593 -0.000561 -0.003330 0Rh 1dxy 0.001915 0.001050 -0.000039 0.003193 -0.000032 -0.000404 0Rh 2dz2 0.000947 0.000813 0.000021 0.000242 -0.001484 0.000571 0Rh 2dxz -0.000421 0.001142 -0.000064 -0.000325 0.002577 0.000419 0Rh 2dyz -0.000023 -0.001071 -0.000059 0.000968 0.000674 0.000011 0Rh 2dx2y2 0.000369 0.000889 -0.000024 0.000610 0.000987 -0.000269 0Rh 2dxy -0.000307 -0.000397 -0.000002 -0.003225 -0.000013 -0.000103 0Rh 3dz2 0.019015 0.014161 0.000283 -0.004469 0.000426 0.027888 0Rh 3dxz -0.009168 0.017134 -0.000145 -0.004142 0.004097 0.012283 0Rh 3dyz -0.001713 -0.009204 0.000484 0.000425 0.001791 -0.014661 0Rh 3dx2y2 0.001784 0.020759 -0.000474 0.006237 -0.001885 0.021259 0Rh 3dxy -0.010041 -0.004290 0.000232 -0.002037 0.000285 0.002957 0Rh 4dz2 -0.052714 -0.036258 -0.000999 0.014116 -0.007877 -0.076251 0Rh 4dxz 0.028224 -0.046366 -0.000079 0.010328 -0.000349 -0.033105 0Rh 4dyz 0.004959 0.019945 -0.001701 0.002907 -0.002183 0.041778 0Rh 4dx2y2 -0.003177 -0.057511 0.001679 -0.015072 0.009864 -0.061015 0Rh 4dxy 0.030341 0.011780 -0.000591 -0.007988 -0.001121 -0.008889 0Rh 5dz2 0.107601 0.052136 0.004145 -0.037255 0.039894 0.126861 0Rh 5dxz -0.069510 0.084299 0.002288 -0.018474 -0.034228 0.052173 0Rh 5dyz -0.004605 -0.003653 0.006532 -0.024916 -0.002841 -0.075397 0Rh 5dx2y2 -0.007575 0.112953 -0.005229 0.025903 -0.036941 0.117090 0Rh 5dxy -0.073298 -0.020125 0.001891 0.060732 0.003025 0.021603 0Rh 1f0 0.002084 0.017121 0.000456 -0.007781 -0.004327 -0.000135 0Rh 1f+1 0.006742 0.002274 -0.000270 -0.003718 0.008440 -0.000044 0Rh 1f-1 0.051406 -0.004519 0.000089 -0.015320 0.012174 -0.000709 0Rh 1f+2 -0.024539 0.028917 -0.000051 -0.002741 -0.019973 0.000032 0Rh 1f-2 0.016057 0.010259 -0.000083 -0.014349 -0.005148 -0.000378 0Rh 1f+3 0.007661 -0.019961 -0.000439 0.006513 0.012256 -0.000555 0Rh 1f-3 -0.000560 0.004440 -0.000134 -0.011153 -0.001452 -0.000515 1Rh 1s -0.000023 0.000014 -0.000018 -0.000055 0.000006 -0.000076 1Rh 2s 0.000535 -0.000397 -0.000034 -0.000119 0.000136 0.000486 1Rh 3s 0.000171 -0.000145 -0.000133 -0.000402 0.000113 -0.000180 1Rh 4s -0.003297 0.002440 0.000094 0.000467 -0.000812 -0.003304 1Rh 5s 0.010648 -0.007970 -0.000428 -0.002972 0.003155 0.009905 1Rh 6s -0.020493 0.015406 0.001236 0.013521 -0.008723 -0.013543 1Rh 7s 0.090003 -0.059781 0.006182 -0.076380 0.048300 0.034085 1Rh 8s -0.035215 0.015915 0.006631 0.041828 -0.017240 -0.037760 1Rh 1pz -0.040820 0.023496 -0.000077 0.007761 -0.041021 -0.000738 1Rh 1px -0.006695 0.009994 -0.000275 -0.008896 -0.012473 0.001366 1Rh 1py -0.024923 -0.018019 0.000103 0.038983 0.005755 -0.000654 1Rh 2pz 0.173423 -0.099852 0.000327 -0.032945 0.174153 0.003133 1Rh 2px 0.028435 -0.042470 0.001163 0.037776 0.052952 -0.005790 1Rh 2py 0.105912 0.076587 -0.000434 -0.165489 -0.024467 0.002799 1Rh 3pz -0.615352 0.354863 -0.001175 0.116292 -0.615204 -0.011041 1Rh 3px -0.100550 0.150819 -0.003986 -0.133588 -0.186997 0.020073 1Rh 3py -0.376243 -0.272384 0.001471 0.584412 0.087081 -0.010407 1Rh 4pz 0.905982 -0.523477 0.001748 -0.170107 0.901581 0.015933 1Rh 4px 0.146247 -0.221756 0.005508 0.196178 0.273719 -0.027656 1Rh 4py 0.554255 0.402190 -0.001985 -0.855980 -0.128824 0.017238 1Rh 5pz -0.583776 0.337108 -0.000924 0.111219 -0.597107 -0.010251 1Rh 5px -0.088499 0.140087 -0.003318 -0.129571 -0.180789 0.014611 1Rh 5py -0.353722 -0.258987 0.001067 0.566576 0.084997 -0.017268 1Rh 6pz -0.245162 0.130484 -0.017057 0.059175 -0.363191 0.021941 1Rh 6px -0.069711 0.079311 0.012623 -0.075340 -0.109601 -0.009053 1Rh 6py -0.184916 -0.137986 -0.006047 0.375731 0.033952 0.067187 1Rh 1dz2 -0.003964 -0.003012 0.000079 0.000571 0.001290 0.005161 1Rh 1dxz 0.001881 -0.003862 -0.000069 0.000958 -0.002970 0.002460 1Rh 1dyz 0.000491 0.002779 0.000025 -0.000856 -0.000933 -0.002417 1Rh 1dx2y2 -0.000513 -0.004234 -0.000102 -0.001592 -0.000492 0.003341 1Rh 1dxy 0.001947 0.001134 0.000045 0.003200 -0.000068 0.000384 1Rh 2dz2 0.000864 0.000671 -0.000033 0.000212 -0.001503 -0.000546 1Rh 2dxz -0.000431 0.001162 0.000057 -0.000322 0.002555 -0.000448 1Rh 2dyz -0.000275 -0.001427 0.000058 0.000913 0.000670 -0.000022 1Rh 2dx2y2 0.000282 0.000837 0.000032 0.000632 0.001026 0.000249 1Rh 2dxy -0.000385 -0.000534 -0.000003 -0.003224 0.000030 0.000117 1Rh 3dz2 0.019221 0.014304 -0.000322 -0.004544 0.000269 -0.027923 1Rh 3dxz -0.009287 0.017066 0.000091 -0.003994 0.004195 -0.012363 1Rh 3dyz -0.001488 -0.008822 -0.000454 0.000308 0.002011 0.014568 1Rh 3dx2y2 0.001565 0.020950 0.000480 0.006115 -0.002507 -0.021216 1Rh 3dxy -0.009814 -0.004061 -0.000248 -0.002079 0.000276 -0.002910 1Rh 4dz2 -0.053785 -0.037434 0.001055 0.014193 -0.007570 0.076472 1Rh 4dxz 0.028554 -0.046037 0.000208 0.009886 -0.000784 0.033185 1Rh 4dyz 0.002948 0.016909 0.001600 0.003006 -0.002815 -0.041558 1Rh 4dx2y2 -0.002971 -0.058380 -0.001659 -0.014621 0.011874 0.060799 1Rh 4dxy 0.029232 0.010364 0.000623 -0.007864 -0.000904 0.008816 1Rh 5dz2 0.112420 0.058445 -0.003980 -0.036635 0.040442 -0.127821 1Rh 5dxz -0.070362 0.082639 -0.002390 -0.017229 -0.032102 -0.051793 1Rh 5dyz 0.006542 0.012530 -0.006137 -0.023945 -0.001710 0.075057 1Rh 5dx2y2 -0.006211 0.116638 0.004992 0.024420 -0.042633 -0.116226 1Rh 5dxy -0.068515 -0.013276 -0.001920 0.060451 0.001666 -0.021663 1Rh 1f0 -0.002258 -0.017311 0.000416 0.007769 0.004324 -0.000267 1Rh 1f+1 -0.006600 -0.002137 -0.000282 0.003714 -0.008438 0.000125 1Rh 1f-1 -0.051695 0.004044 -0.000028 0.015319 -0.012208 -0.000520 1Rh 1f+2 0.024422 -0.028929 0.000011 0.002722 0.020013 -0.000390 1Rh 1f-2 -0.015751 -0.009703 -0.000113 0.014366 0.005118 -0.000554 1Rh 1f+3 -0.007679 0.019793 -0.000440 -0.006521 -0.012261 -0.000269 1Rh 1f-3 0.000252 -0.004807 -0.000142 0.011144 0.001431 -0.000579 2C 1s 0.000488 0.000558 0.000131 -0.000368 0.000695 -0.000056 2C 2s 0.000076 0.000460 0.000122 -0.000394 0.000766 -0.000074 2C 3s 0.028768 0.009497 0.003324 -0.009556 0.009967 0.000929 2C 4s -0.143951 -0.055190 -0.028564 0.044379 -0.061770 0.005394 2C 5s 0.106785 -0.072436 -0.024281 0.142285 -0.134589 0.059371 2C 1pz 0.002914 0.005676 0.002875 0.003116 0.000737 -0.004433 2C 1px -0.006270 0.004283 -0.000970 -0.006862 0.005446 0.001442 2C 1py -0.004466 -0.008548 -0.003478 -0.005721 -0.001609 0.005639 2C 2pz -0.099971 -0.031214 -0.047406 -0.038360 -0.011916 0.042417 2C 2px 0.149113 -0.038653 0.031475 0.070609 -0.018311 -0.040018 2C 2py 0.014166 0.057048 0.032192 0.051780 0.018711 -0.053338 2C 3pz 0.011537 -0.011099 -0.040979 -0.005801 -0.031979 0.020003 2C 3px 0.016790 0.009838 0.016125 0.049155 -0.031110 0.004951 2C 3py -0.003979 -0.030073 0.044018 0.055298 0.002707 -0.002346 2C 1dz2 -0.039239 0.015204 0.005177 0.021849 -0.017464 -0.006055 2C 1dxz 0.069920 -0.011593 -0.009502 -0.037724 0.029060 0.009202 2C 1dyz -0.012105 -0.003417 -0.005863 -0.000653 -0.008422 0.003651 2C 1dx2y2 0.000803 0.001789 -0.007287 -0.005788 -0.006829 0.006514 2C 1dxy 0.048643 -0.008244 0.011944 -0.011648 0.035796 -0.010241 2C 2dz2 -0.097292 0.020124 -0.000249 0.006430 -0.006756 -0.001891 2C 2dxz 0.171093 -0.013951 0.021818 -0.015260 0.063377 -0.017191 2C 2dyz -0.030062 0.021998 0.029316 0.044197 0.009390 -0.037262 2C 2dx2y2 -0.011992 0.033101 0.074328 0.091270 0.019170 -0.073816 2C 2dxy 0.116404 -0.081775 -0.093009 -0.098828 -0.040776 0.093457 2C 1f0 -0.088603 0.029221 0.015543 0.044685 -0.031165 -0.013356 2C 1f+1 0.069565 -0.015839 -0.007648 -0.029176 0.025749 0.004373 2C 1f-1 -0.033939 -0.000309 -0.003874 0.007552 -0.013578 0.000268 2C 1f+2 0.048558 -0.005963 -0.002133 -0.017696 0.019280 0.002022 2C 1f-2 0.100605 -0.028750 -0.000568 -0.037608 0.043712 0.004675 2C 1f+3 0.055214 0.007165 0.006375 -0.013719 0.024680 -0.000937 2C 1f-3 -0.030717 -0.002976 0.001790 0.014558 -0.014511 -0.002108 3C 1s -0.000174 -0.001104 0.000117 0.000608 0.000344 0.000053 3C 2s -0.000126 -0.000655 0.000141 0.000720 0.000390 0.000055 3C 3s 0.001502 -0.030242 -0.000373 0.003993 0.002951 0.000021 3C 4s -0.020914 0.158924 -0.005165 -0.029393 -0.015394 -0.006098 3C 5s 0.033608 -0.011587 -0.006629 -0.095944 -0.054158 -0.047303 3C 1pz 0.001899 0.006678 -0.001161 -0.004014 -0.000671 -0.001997 3C 1px -0.002855 0.007902 -0.004248 0.001785 0.008938 -0.006787 3C 1py -0.001387 0.006141 -0.002128 -0.000254 0.003420 -0.003933 3C 2pz -0.027347 0.007402 -0.001341 0.027113 0.013584 0.003975 3C 2px 0.057640 -0.125848 0.078740 0.021983 -0.096211 0.095607 3C 2py 0.061605 -0.077495 0.030608 -0.004277 -0.044861 0.040061 3C 3pz 0.024339 0.042511 0.016979 0.009956 -0.003299 -0.005880 3C 3px 0.031944 -0.002150 0.054690 -0.013626 -0.069575 0.013717 3C 3py 0.011979 0.007013 0.032244 0.027048 -0.016618 0.017666 3C 1dz2 -0.004826 0.018224 -0.007078 -0.017531 -0.006156 -0.006512 3C 1dxz 0.009817 -0.022360 0.011157 0.028798 0.010703 0.009912 3C 1dyz -0.000805 -0.028148 -0.002294 0.016715 0.019271 -0.002299 3C 1dx2y2 0.004791 -0.018022 0.000284 0.019555 0.018089 0.000322 3C 1dxy 0.007807 0.038479 0.011655 -0.023130 -0.041067 0.010244 3C 2dz2 0.029486 0.016477 0.040566 0.018746 -0.047967 0.040322 3C 2dxz -0.095027 -0.042534 -0.120021 -0.036626 0.154016 -0.119532 3C 2dyz 0.006553 -0.061890 -0.012464 0.008538 0.032953 -0.010533 3C 2dx2y2 -0.012098 -0.042313 -0.026362 -0.020371 0.027052 -0.024316 3C 2dxy -0.020472 0.111005 -0.036193 -0.053534 0.003565 -0.041562 3C 1f0 -0.004536 0.016053 -0.006410 -0.007743 0.000111 -0.003200 3C 1f+1 0.011548 0.024643 0.006892 -0.012271 -0.018798 0.003007 3C 1f-1 0.009902 -0.025921 0.005435 0.019535 0.013070 0.003910 3C 1f+2 -0.001785 -0.067897 0.000121 0.032885 0.032261 -0.000515 3C 1f-2 -0.007220 0.023729 -0.001390 -0.020141 -0.021223 0.000694 3C 1f+3 -0.010645 -0.044733 -0.012794 0.026550 0.044401 -0.007460 3C 1f-3 -0.002990 -0.058354 -0.011640 0.037994 0.054354 -0.009189 4C 1s -0.000745 0.000325 0.000289 0.001498 -0.000528 -0.000100 4C 2s -0.001244 0.000988 0.000602 0.002745 -0.000833 0.000421 4C 3s -0.036630 -0.018663 -0.004041 0.031423 -0.026953 -0.024955 4C 4s 0.210874 0.039543 -0.005477 -0.251260 0.139884 0.096573 4C 5s -0.023450 0.030642 -0.018261 -0.138364 0.099476 0.005482 4C 1pz 0.021892 -0.003628 0.000722 0.009066 -0.011209 -0.001727 4C 1px -0.048314 0.015177 0.000020 -0.042378 0.044853 -0.001357 4C 1py -0.008022 -0.004161 -0.000665 -0.010895 0.009807 -0.001612 4C 2pz -0.077700 0.182790 -0.018525 -0.029224 -0.020514 0.028298 4C 2px 0.456524 0.035305 -0.009981 -0.138576 0.150995 -0.011046 4C 2py -0.016118 -0.279090 -0.011878 -0.058106 0.049082 0.007425 4C 3pz 0.028570 -0.078049 -0.012788 0.104948 -0.099175 0.049789 4C 3px -0.028372 0.001857 -0.007329 -0.202762 0.237023 -0.021278 4C 3py 0.032942 0.018004 -0.039146 -0.034533 0.012996 0.037715 4C 1dz2 0.082231 0.056281 0.046240 0.019313 0.058948 -0.040358 4C 1dxz -0.108166 0.016191 -0.061906 -0.006116 -0.095560 0.054074 4C 1dyz -0.002717 -0.053492 -0.055459 -0.048740 -0.036564 0.050578 4C 1dx2y2 0.008416 0.001347 -0.069078 -0.067342 -0.047710 0.063959 4C 1dxy -0.081498 0.077853 0.115297 0.121667 0.047340 -0.106166 4C 2dz2 -0.154919 0.185781 0.142747 0.072756 0.127779 -0.113170 4C 2dxz 0.344736 -0.120556 -0.178064 -0.073851 -0.198421 0.136312 4C 2dyz 0.012091 -0.107869 -0.151890 -0.152941 -0.084981 0.130360 4C 2dx2y2 0.057927 -0.046341 -0.214480 -0.196128 -0.121847 0.189553 4C 2dxy 0.266406 0.103178 0.324288 0.288966 0.183438 -0.259198 4C 1f0 0.220264 0.007737 0.112348 -0.026505 0.214129 -0.082144 4C 1f+1 -0.253198 -0.083038 -0.110175 0.041036 -0.218742 0.070752 4C 1f-1 0.080509 -0.039618 -0.074150 -0.103482 0.006541 0.054333 4C 1f+2 -0.115298 0.049011 -0.056295 0.013761 -0.112071 0.046015 4C 1f-2 -0.242644 0.193502 0.083368 0.214919 -0.132699 -0.065333 4C 1f+3 -0.249079 -0.000271 0.140638 0.212757 -0.031423 -0.106199 4C 1f-3 0.010817 0.130155 0.040146 0.036533 0.015255 -0.031052 5C 1s -0.000243 0.000655 -0.000166 0.000878 -0.000622 -0.000250 5C 2s -0.000315 0.000782 -0.000369 0.001791 -0.001356 -0.000815 5C 3s -0.010488 0.043927 0.006377 -0.002090 -0.012629 0.015543 5C 4s 0.073375 -0.221719 -0.011579 -0.089870 0.102423 -0.034786 5C 5s 0.030453 -0.033967 0.025554 0.002921 0.054056 -0.012790 5C 1pz 0.004952 -0.007492 0.001991 -0.016751 -0.010627 0.003470 5C 1px -0.001475 0.035098 -0.002593 0.045894 0.036429 -0.005081 5C 1py -0.002213 0.012195 -0.002106 0.010577 0.004189 -0.003110 5C 2pz 0.109579 0.376269 0.008538 -0.064531 -0.039670 0.011208 5C 2px 0.025845 -0.214146 -0.010699 0.133668 0.154135 -0.040536 5C 2py 0.109182 0.168069 0.011340 0.035624 -0.025372 0.002253 5C 3pz 0.009649 -0.053205 -0.005299 -0.118332 -0.060083 -0.022301 5C 3px 0.006516 0.009414 -0.013365 0.207695 0.206046 -0.035783 5C 3py -0.069710 -0.030603 -0.023355 0.093707 0.038716 0.041415 5C 1dz2 -0.031240 0.045435 -0.067924 -0.031931 0.069587 -0.063614 5C 1dxz 0.091040 0.041229 0.111844 0.062532 -0.122234 0.102049 5C 1dyz -0.017297 0.008001 -0.006730 -0.022662 -0.016410 -0.008530 5C 1dx2y2 0.019199 0.071895 0.006250 -0.031975 -0.028620 0.003406 5C 1dxy 0.079632 -0.085035 0.094682 0.108376 -0.031153 0.091575 5C 2dz2 -0.109703 0.223268 -0.193390 -0.106199 0.155940 -0.156397 5C 2dxz 0.260018 -0.125287 0.333737 0.185407 -0.306582 0.284691 5C 2dyz -0.050476 -0.113839 -0.018538 -0.029527 -0.012799 -0.011491 5C 2dx2y2 0.032424 -0.072679 0.011841 -0.030947 -0.023975 0.000198 5C 2dxy 0.176980 0.189307 0.271573 0.248898 -0.183635 0.226374 5C 1f0 -0.109241 -0.084517 -0.115427 -0.028069 0.131141 -0.085207 5C 1f+1 0.032379 -0.119071 0.106894 0.066595 -0.091775 0.083794 5C 1f-1 0.016775 -0.018056 0.068968 -0.031330 -0.126730 0.051009 5C 1f+2 0.080403 0.267569 0.055502 -0.125199 -0.197688 0.037127 5C 1f-2 -0.065931 -0.092537 -0.079841 0.039351 0.146913 -0.058720 5C 1f+3 -0.119685 0.195285 -0.139272 -0.246972 -0.041422 -0.105330 5C 1f-3 -0.076543 0.061116 -0.037172 -0.182315 -0.120441 -0.031214 6C 1s -0.000270 0.000665 0.000168 0.000877 -0.000584 0.000270 6C 2s -0.000359 0.000766 0.000375 0.001821 -0.001289 0.000854 6C 3s -0.012719 0.045027 -0.006574 -0.003579 -0.012787 -0.015103 6C 4s 0.085333 -0.227420 0.012237 -0.084617 0.100310 0.031556 6C 5s 0.028993 -0.032960 -0.025076 0.005880 0.052620 0.011303 6C 1pz -0.004534 0.008260 0.002036 0.016867 0.010952 0.003570 6C 1px -0.000302 -0.037467 -0.002742 -0.046018 -0.037127 -0.005160 6C 1py 0.002124 -0.012604 -0.002116 -0.010658 -0.004423 -0.003214 6C 2pz -0.105711 -0.369691 0.009249 0.064204 0.041485 0.010752 6C 2px -0.035529 0.202076 -0.010635 -0.134802 -0.157600 -0.037466 6C 2py -0.109576 -0.167641 0.011569 -0.034763 0.024611 0.002172 6C 3pz -0.009561 0.057079 -0.006671 0.118162 0.060102 -0.022090 6C 3px -0.011152 -0.013842 -0.014332 -0.209502 -0.207271 -0.031166 6C 3py 0.071911 0.027024 -0.021957 -0.092852 -0.039070 0.039774 6C 1dz2 -0.031524 0.045575 0.067992 -0.032102 0.070393 0.062728 6C 1dxz 0.090502 0.040352 -0.111849 0.062496 -0.123032 -0.100247 6C 1dyz -0.017841 0.007621 0.006728 -0.022550 -0.015939 0.008948 6C 1dx2y2 0.018798 0.070493 -0.006478 -0.031715 -0.028653 -0.002974 6C 1dxy 0.080698 -0.083672 -0.094416 0.108035 -0.033015 -0.091638 6C 2dz2 -0.112575 0.221634 0.193241 -0.106948 0.158048 0.154972 6C 2dxz 0.261692 -0.124379 -0.333615 0.184596 -0.309764 -0.280880 6C 2dyz -0.050878 -0.110855 0.018173 -0.030073 -0.012403 0.011830 6C 2dx2y2 0.033824 -0.070933 -0.012439 -0.029865 -0.024356 -0.000744 6C 2dxy 0.173081 0.185935 -0.270759 0.248734 -0.185829 -0.223136 6C 1f0 0.108076 0.081995 -0.115554 0.028204 -0.132153 -0.083311 6C 1f+1 -0.032240 0.118710 0.106624 -0.066488 0.092518 0.082328 6C 1f-1 -0.014682 0.020843 0.068951 0.031207 0.126892 0.048916 6C 1f+2 -0.075042 -0.259499 0.055938 0.124959 0.197454 0.033655 6C 1f-2 0.062864 0.088433 -0.080061 -0.039420 -0.147078 -0.056489 6C 1f+3 0.125316 -0.188673 -0.138873 0.246955 0.039292 -0.107063 6C 1f-3 0.080900 -0.054314 -0.036817 0.181487 0.119341 -0.033600 7C 1s -0.000726 0.000414 -0.000285 0.001493 -0.000559 0.000109 7C 2s -0.001215 0.001122 -0.000592 0.002749 -0.000918 -0.000392 7C 3s -0.035997 -0.016284 0.003568 0.031291 -0.025500 0.025086 7C 4s 0.206897 0.024671 0.007458 -0.250469 0.135829 -0.098219 7C 5s -0.025852 0.027721 0.018568 -0.138326 0.101791 -0.006689 7C 1pz -0.022360 0.003002 0.000642 -0.008859 0.011193 -0.001680 7C 1px 0.049913 -0.012484 0.000039 0.041980 -0.045208 -0.000990 7C 1py 0.008356 0.004832 -0.000735 0.010894 -0.009913 -0.001472 7C 2pz 0.074726 -0.183744 -0.017093 0.029587 0.020108 0.027023 7C 2px -0.451116 -0.019663 -0.010632 0.136667 -0.154110 -0.008755 7C 2py 0.020959 0.282395 -0.011501 0.057618 -0.050536 0.007606 7C 3pz -0.028530 0.080184 -0.012967 -0.106094 0.101774 0.046373 7C 3px 0.032130 0.004474 -0.005930 0.202317 -0.238941 -0.018664 7C 3py -0.031304 -0.014529 -0.039359 0.034368 -0.011918 0.036730 7C 1dz2 0.082185 0.055846 -0.046131 0.019339 0.059176 0.039479 7C 1dxz -0.106976 0.017578 0.061566 -0.006098 -0.095946 -0.052547 7C 1dyz -0.002796 -0.053276 0.055345 -0.048990 -0.037373 -0.049875 7C 1dx2y2 0.008708 0.000761 0.068867 -0.067467 -0.048430 -0.063061 7C 1dxy -0.081082 0.078406 -0.115289 0.122455 0.049434 0.105135 7C 2dz2 -0.152122 0.187047 -0.141834 0.072745 0.128560 0.110204 7C 2dxz 0.343249 -0.123089 0.178273 -0.074197 -0.200744 -0.133682 7C 2dyz 0.010711 -0.108324 0.152153 -0.153347 -0.087800 -0.128904 7C 2dx2y2 0.056977 -0.048499 0.213141 -0.195918 -0.124035 -0.185958 7C 2dxy 0.266583 0.099072 -0.323454 0.289974 0.188161 0.255551 7C 1f0 -0.216257 -0.002262 0.111612 0.026018 -0.214308 -0.078926 7C 1f+1 0.249969 0.076900 -0.109812 -0.040471 0.219101 0.067849 7C 1f-1 -0.079543 0.041417 -0.073855 0.103759 -0.005825 0.053879 7C 1f+2 0.112599 -0.051801 -0.055550 -0.013783 0.112132 0.043964 7C 1f-2 0.237373 -0.200163 0.083512 -0.215343 0.131092 -0.066287 7C 1f+3 0.247702 -0.005422 0.141046 -0.213962 0.029482 -0.106398 7C 1f-3 -0.011694 -0.130647 0.040696 -0.037058 -0.016109 -0.031079 8C 1s -0.000141 -0.001072 -0.000114 0.000624 0.000349 -0.000063 8C 2s -0.000101 -0.000623 -0.000139 0.000740 0.000398 -0.000065 8C 3s 0.002557 -0.030181 0.000406 0.004168 0.003022 -0.000201 8C 4s -0.027253 0.158705 0.004842 -0.030431 -0.015609 0.007087 8C 5s 0.037746 -0.016798 0.008007 -0.096902 -0.054393 0.045783 8C 1pz -0.001792 -0.006636 -0.001232 0.004107 0.000578 -0.002150 8C 1px 0.002908 -0.007717 -0.004194 -0.001854 -0.008999 -0.006581 8C 1py 0.001467 -0.006111 -0.002147 0.000255 -0.003495 -0.003922 8C 2pz 0.027122 -0.008367 -0.000197 -0.028053 -0.013073 0.005356 8C 2px -0.056812 0.123175 0.077496 -0.020617 0.096616 0.093023 8C 2py -0.064045 0.079295 0.030472 0.004323 0.045953 0.039942 8C 3pz -0.024825 -0.041606 0.017934 -0.010659 0.004097 -0.005318 8C 3px -0.032367 0.002203 0.053787 0.014359 0.069311 0.012583 8C 3py -0.011634 -0.007801 0.033006 -0.027320 0.017042 0.017053 8C 1dz2 -0.005281 0.017567 0.007094 -0.017459 -0.005910 0.006724 8C 1dxz 0.010571 -0.021206 -0.011186 0.028743 0.010346 -0.010266 8C 1dyz -0.000048 -0.027388 0.002321 0.016782 0.019226 0.001910 8C 1dx2y2 0.005457 -0.017310 -0.000285 0.019548 0.017878 -0.000757 8C 1dxy 0.006859 0.037078 -0.011686 -0.023112 -0.041045 -0.009481 8C 2dz2 0.028143 0.015182 -0.039594 0.018697 -0.046947 -0.038727 8C 2dxz -0.092574 -0.039099 0.119302 -0.036167 0.154539 0.116580 8C 2dyz 0.009274 -0.060958 0.012125 0.009118 0.032595 0.009306 8C 2dx2y2 -0.010726 -0.041273 0.026173 -0.020888 0.026333 0.023645 8C 2dxy -0.023072 0.107574 0.036414 -0.053950 0.004335 0.042108 8C 1f0 0.004749 -0.015936 -0.006374 0.007981 0.000097 -0.003220 8C 1f+1 -0.010755 -0.023672 0.006853 0.012278 0.018711 0.002621 8C 1f-1 -0.010730 0.025189 0.005508 -0.019632 -0.012833 0.004324 8C 1f+2 0.000066 0.065799 0.000131 -0.032941 -0.031984 0.000272 8C 1f-2 0.007939 -0.022399 -0.001349 0.019945 0.020963 0.000306 8C 1f+3 0.009253 0.042546 -0.012633 -0.026440 -0.043851 -0.006429 8C 1f-3 0.000908 0.055935 -0.011609 -0.038074 -0.054138 -0.008056 9C 1s 0.000469 0.000489 -0.000120 -0.000385 0.000697 0.000041 9C 2s 0.000051 0.000401 -0.000114 -0.000411 0.000773 0.000059 9C 3s 0.028818 0.008353 -0.003026 -0.009719 0.009609 -0.001290 9C 4s -0.143605 -0.048729 0.026278 0.045702 -0.059566 -0.002726 9C 5s 0.108360 -0.075017 0.023671 0.144560 -0.139452 -0.055547 9C 1pz -0.002939 -0.005755 0.002844 -0.003120 -0.000786 -0.004394 9C 1px 0.006202 -0.004455 -0.000788 0.006648 -0.005589 0.001210 9C 1py 0.004457 0.008447 -0.003528 0.005793 0.001722 0.005686 9C 2pz 0.100008 0.031371 -0.045529 0.037952 0.010399 0.040860 9C 2px -0.148580 0.041230 0.027885 -0.066995 0.020321 -0.035837 9C 2py -0.013681 -0.056493 0.032978 -0.051754 -0.020810 -0.053775 9C 3pz -0.011621 0.010984 -0.040582 0.005481 0.032609 0.018813 9C 3px -0.016682 -0.008618 0.012813 -0.047047 0.033387 0.005251 9C 3py 0.003602 0.030073 0.044383 -0.056076 -0.002491 -0.002539 9C 1dz2 -0.038628 0.015946 -0.005261 0.021848 -0.017178 0.006222 9C 1dxz 0.069171 -0.013083 0.009576 -0.037868 0.028852 -0.009477 9C 1dyz -0.012052 -0.003044 0.005815 -0.000677 -0.008439 -0.003549 9C 1dx2y2 0.000880 0.002037 0.007315 -0.005820 -0.007035 -0.006470 9C 1dxy 0.047855 -0.009245 -0.011886 -0.011520 0.035779 0.009828 9C 2dz2 -0.096287 0.020894 0.000072 0.006285 -0.006221 0.001897 9C 2dxz 0.169242 -0.017173 -0.023518 -0.014439 0.065549 0.018258 9C 2dyz -0.029756 0.022304 -0.028893 0.043338 0.010287 0.036363 9C 2dx2y2 -0.011435 0.034739 -0.073615 0.090970 0.019769 0.072574 9C 2dxy 0.114339 -0.082994 0.091213 -0.096739 -0.042429 -0.090753 9C 1f0 0.086578 -0.031214 0.015547 -0.044384 0.030413 -0.013467 9C 1f+1 -0.067774 0.016929 -0.007524 0.028615 -0.025149 0.004395 9C 1f-1 0.033940 -0.000692 -0.003662 -0.007815 0.013513 -0.000037 9C 1f+2 -0.047697 0.007125 -0.001983 0.017524 -0.019199 0.002003 9C 1f-2 -0.099790 0.030703 -0.000546 0.037813 -0.043910 0.004934 9C 1f+3 -0.055621 -0.005513 0.006309 0.014292 -0.025208 -0.000580 9C 1f-3 0.030214 0.001943 0.001794 -0.014432 0.014299 -0.002189 10H 1s 0.048378 -0.007157 -0.010689 -0.028529 0.015899 0.012095 10H 2s 0.047336 -0.007602 -0.054019 -0.115678 0.045820 0.059933 10H 3s -0.007188 -0.007133 -0.007970 -0.015891 0.007905 -0.013946 10H 1pz 0.014228 -0.002364 -0.018289 -0.033104 0.007636 0.019259 10H 1px -0.032937 0.002451 0.007957 0.026793 -0.019299 -0.009504 10H 1py 0.003533 0.007163 0.015141 0.005360 0.020607 -0.013908 11H 1s -0.005236 -0.014387 -0.019092 -0.007064 -0.023972 0.017314 11H 2s -0.012910 -0.017975 -0.020594 -0.029720 -0.000283 0.020827 11H 3s -0.014252 0.010420 -0.027123 -0.027341 -0.003506 -0.001934 11H 1pz -0.001195 -0.009943 -0.003352 -0.006113 0.001284 0.004392 11H 1px -0.007928 0.004667 0.010137 0.011890 0.004906 -0.010869 11H 1py 0.006568 0.006918 0.013068 0.009966 0.009654 -0.011220 12H 1s -0.010214 0.028468 0.028306 0.038676 0.003112 -0.026376 12H 2s -0.013770 0.082469 0.085201 0.078855 0.054682 -0.096781 12H 3s -0.027184 0.001458 0.037837 0.007052 0.028699 0.007331 12H 1pz 0.012095 -0.007727 -0.010022 -0.011331 -0.002768 0.008760 12H 1px -0.005023 0.006540 0.004471 0.008477 -0.001957 -0.006557 12H 1py -0.007127 0.029464 0.016256 0.019613 0.004215 -0.018180 13H 1s -0.016398 -0.034018 -0.017055 0.011038 0.036067 -0.015692 13H 2s -0.077985 -0.038313 -0.082912 0.016886 0.137689 -0.086691 13H 3s 0.003262 0.008555 -0.012134 0.001750 0.012611 0.012346 13H 1pz -0.003042 -0.020965 -0.000304 0.022756 0.019981 -0.001247 13H 1px 0.021773 0.019700 0.021672 -0.002419 -0.034317 0.021452 13H 1py 0.016631 0.006582 0.017927 -0.000972 -0.027795 0.019085 14H 1s 0.017110 -0.009410 0.028283 0.004370 -0.040262 0.027395 14H 2s 0.073475 -0.047862 0.101856 0.060999 -0.104180 0.109122 14H 3s 0.011534 0.024294 0.035936 0.018959 -0.011906 -0.009105 14H 1pz 0.002349 -0.012371 0.008593 0.001860 -0.012191 0.009290 14H 1px 0.013004 -0.010692 0.020692 0.005608 -0.028044 0.022403 14H 1py 0.006930 0.005915 0.007293 0.002640 -0.008474 0.005907 15H 1s -0.011340 0.007080 -0.013541 -0.016386 0.005362 -0.012751 15H 2s -0.021569 0.006104 -0.007469 0.006259 0.017324 -0.014844 15H 3s -0.009963 -0.005071 -0.021719 -0.005324 0.017259 0.002812 15H 1pz 0.006503 -0.003514 0.001965 0.001879 0.000284 0.001691 15H 1px 0.012818 -0.002211 0.018060 0.010769 -0.018529 0.018073 15H 1py 0.002430 -0.004590 0.001508 -0.001597 -0.004091 0.003451 16H 1s 0.005123 -0.008252 -0.008811 -0.107070 0.049191 -0.055806 16H 2s -0.009806 -0.025714 -0.011642 -0.096371 0.023601 -0.115104 16H 3s 0.016082 -0.005816 0.002369 -0.000366 0.013061 0.002475 16H 1pz -0.011018 -0.012941 -0.009545 -0.084959 0.026384 -0.072143 16H 1px -0.001773 0.000798 -0.000354 0.008900 0.000114 0.006428 16H 1py -0.001745 -0.000840 -0.003302 -0.050528 0.021355 -0.026866 17H 1s 0.007085 -0.014810 -0.003436 -0.111764 0.017363 -0.070353 17H 2s -0.002020 -0.038881 -0.009312 -0.106714 0.035746 -0.142486 17H 3s -0.004992 0.010286 0.001100 0.000833 -0.015950 0.003367 17H 1pz -0.002405 0.020933 0.001367 0.051525 -0.013762 0.055416 17H 1px -0.001467 0.017567 0.003950 0.061628 -0.020966 0.060505 17H 1py 0.003818 -0.011176 -0.003514 -0.068133 0.016331 -0.047263 18H 1s 0.009080 -0.013983 0.003222 -0.109583 0.025131 0.070543 18H 2s -0.002900 -0.040006 0.009591 -0.104442 0.043406 0.143556 18H 3s -0.005694 0.009135 -0.001103 0.001066 -0.016956 -0.002852 18H 1pz 0.003350 -0.020963 0.001548 -0.052256 0.018178 0.057051 18H 1px 0.001483 -0.018134 0.003954 -0.060386 0.025569 0.060812 18H 1py -0.004423 0.010863 -0.003163 0.065263 -0.020705 -0.045894 19H 1s 0.004366 -0.010356 0.008352 -0.103362 0.056397 0.053124 19H 2s -0.009144 -0.023630 0.011793 -0.092565 0.031095 0.110011 19H 3s 0.016960 -0.004396 -0.002167 -0.001304 0.012112 -0.002652 19H 1pz 0.010934 0.013138 -0.009218 0.080673 -0.032164 -0.068458 19H 1px 0.002178 -0.000215 -0.000246 -0.009418 0.000970 0.006599 19H 1py 0.001970 0.001396 -0.003149 0.050219 -0.025788 -0.026763 20H 1s -0.011861 0.007115 0.013868 -0.016868 0.005646 0.013061 20H 2s -0.022166 0.007237 0.008048 0.006005 0.018125 0.015309 20H 3s -0.010194 -0.004240 0.022341 -0.005605 0.017792 -0.002891 20H 1pz -0.006941 0.003727 0.002220 -0.002103 -0.000056 0.001988 20H 1px -0.012596 0.002307 0.017921 -0.010678 0.018612 0.017660 20H 1py -0.002310 0.004863 0.001515 0.001622 0.004127 0.003384 21H 1s 0.016795 -0.010096 -0.028262 0.004458 -0.040412 -0.026812 21H 2s 0.072790 -0.047708 -0.100694 0.060953 -0.103737 -0.106744 21H 3s 0.011540 0.024850 -0.036127 0.019346 -0.011771 0.009212 21H 1pz -0.002537 0.012622 0.008779 -0.002181 0.012301 0.009339 21H 1px -0.012498 0.010784 0.020157 -0.005444 0.027571 0.021485 21H 1py -0.006874 -0.005594 0.007488 -0.002725 0.008708 0.005943 22H 1s -0.015085 -0.032930 0.016704 0.011343 0.035848 0.014696 22H 2s -0.073855 -0.035081 0.081230 0.019050 0.137854 0.082738 22H 3s 0.001960 0.008289 0.011721 0.002024 0.012097 -0.012203 22H 1pz 0.001667 0.019712 0.000224 -0.023174 -0.019466 -0.000284 22H 1px -0.020745 -0.018888 0.021387 0.002832 0.034454 0.020611 22H 1py -0.016338 -0.006174 0.017987 0.001223 0.028291 0.018695 23H 1s -0.009249 0.028523 -0.028163 0.038475 0.003728 0.026049 23H 2s -0.013251 0.080650 -0.082604 0.075585 0.055727 0.093177 23H 3s -0.027239 0.001452 -0.037643 0.007038 0.029118 -0.007505 23H 1pz -0.011854 0.007951 -0.010112 0.011467 0.002992 0.008767 23H 1px 0.004797 -0.005799 0.003415 -0.007336 0.002403 -0.005446 23H 1py 0.006581 -0.029164 0.015890 -0.018899 -0.004690 -0.017664 24H 1s -0.005377 -0.014469 0.019573 -0.007316 -0.024936 -0.017453 24H 2s -0.013591 -0.019864 0.022536 -0.031527 -0.002201 -0.023007 24H 3s -0.015045 0.010276 0.028105 -0.028132 -0.003596 0.002211 24H 1pz 0.001528 0.010413 -0.003489 0.006171 -0.000989 0.004562 24H 1px 0.008001 -0.004236 0.009389 -0.011317 -0.004473 -0.009959 24H 1py -0.006793 -0.007022 0.013221 -0.010083 -0.010049 -0.011248 25H 1s 0.047896 -0.008408 0.010002 -0.027985 0.016137 -0.011510 25H 2s 0.045381 -0.010562 0.050154 -0.113013 0.048342 -0.056187 25H 3s -0.007051 -0.005629 0.007079 -0.015664 0.008933 0.013306 25H 1pz -0.014128 0.003365 -0.017964 0.033131 -0.007901 0.018881 25H 1px 0.032183 -0.003593 0.006887 -0.025959 0.019948 -0.008575 25H 1py -0.002843 -0.006769 0.015476 -0.005942 -0.020871 -0.014011 26O 1s 0.000240 0.000006 0.000084 0.000534 -0.000301 -0.000113 26O 2s 0.000077 0.000123 0.000378 0.001800 -0.000847 -0.000433 26O 3s 0.046931 -0.009613 -0.006438 -0.032583 0.020056 0.008975 26O 4s -0.428974 0.089771 0.026492 0.099183 -0.074351 -0.044875 26O 5s 0.040911 -0.040338 0.016424 0.154993 -0.088588 0.019163 26O 1pz -0.026766 0.007044 -0.025346 0.000259 -0.044746 0.020334 26O 1px 0.012271 -0.001606 -0.014393 -0.005474 -0.011775 0.014921 26O 1py -0.026818 0.001892 0.043678 0.052903 0.013195 -0.036345 26O 2pz 0.131016 -0.040941 0.101323 -0.007471 0.192077 -0.086630 26O 2px 0.091736 -0.023548 0.052141 0.029164 0.034674 -0.048142 26O 2py 0.180067 -0.000265 -0.179715 -0.222028 -0.059267 0.166846 26O 3pz 0.069905 0.030597 0.093524 -0.098192 0.238684 -0.022867 26O 3px 0.147910 0.011933 0.045634 -0.117133 0.170172 0.001348 26O 3py 0.102235 -0.070813 -0.158045 -0.230104 0.110562 0.045847 26O 1dz2 -0.195057 -0.043115 0.042136 0.172407 -0.032511 -0.147618 26O 1dxz -0.137196 -0.042790 0.186371 0.157457 0.160586 -0.204211 26O 1dyz -0.273852 0.100020 0.048995 0.056902 -0.063647 0.024350 26O 1dx2y2 0.024607 -0.103064 0.226676 0.143423 0.262101 -0.265097 26O 1dxy 0.000288 0.040839 -0.228760 -0.245004 -0.078132 0.164747 26O 2dz2 0.148332 0.048709 -0.046979 -0.143673 0.006060 0.134341 26O 2dxz -0.030467 0.077089 -0.223128 -0.089356 -0.298700 0.224951 26O 2dyz 0.151410 -0.070145 -0.059454 -0.014339 -0.018576 -0.005684 26O 2dx2y2 0.076857 0.085573 -0.274861 -0.232152 -0.220440 0.293001 26O 2dxy -0.087867 -0.036799 0.285145 0.328819 0.081436 -0.217672 26O 1f0 -0.100036 0.036704 -0.081573 -0.001104 -0.154610 0.080332 26O 1f+1 0.093144 -0.035325 0.004696 -0.039983 0.057575 0.003368 26O 1f-1 0.027855 -0.025568 0.057594 0.037945 0.050595 -0.045698 26O 1f+2 0.062721 -0.036569 0.073034 0.005954 0.101017 -0.047531 26O 1f-2 0.120290 -0.021234 0.043182 -0.061507 0.136790 -0.030731 26O 1f+3 0.192175 0.009699 -0.182868 -0.217967 -0.037265 0.150659 26O 1f-3 0.022002 -0.011235 0.078674 0.084741 0.040028 -0.065336 27O 1s 0.000122 -0.000166 0.000123 0.000063 -0.000466 0.000208 27O 2s 0.000374 0.000003 0.000443 0.000410 -0.001436 0.000733 27O 3s -0.003766 -0.032677 -0.006941 0.001259 0.028053 -0.011402 27O 4s 0.013181 0.285328 0.025730 -0.036389 -0.111615 0.034857 27O 5s -0.062092 0.013255 -0.002085 0.055696 -0.064264 0.049626 27O 1pz 0.046886 0.031293 0.042641 0.010339 -0.051737 0.035682 27O 1px 0.009186 0.003077 0.010402 0.008792 -0.013799 0.009540 27O 1py 0.034245 -0.005243 0.029194 0.044812 -0.001442 0.024587 27O 2pz -0.184981 -0.138625 -0.173008 -0.039495 0.220409 -0.155795 27O 2px -0.033791 -0.124915 -0.047820 -0.064897 0.053931 -0.053474 27O 2py -0.136203 0.041738 -0.116811 -0.184041 0.001407 -0.103944 27O 3pz -0.135815 -0.007214 -0.150174 0.063845 0.178315 -0.045611 27O 3px -0.018664 -0.115373 -0.031537 0.137945 0.183092 -0.040592 27O 3py -0.079213 0.046218 -0.113790 -0.278274 -0.109240 -0.037565 27O 1dz2 0.054316 -0.066373 0.022894 -0.062967 -0.005527 -0.096118 27O 1dxz -0.309047 -0.117556 -0.294113 -0.217690 0.240446 -0.286630 27O 1dyz 0.064031 -0.074908 0.074704 0.162403 -0.008513 0.125667 27O 1dx2y2 -0.091785 -0.191682 -0.110676 0.034816 0.247538 -0.167478 27O 1dxy -0.212269 -0.211210 -0.202003 -0.142311 0.159340 -0.160645 27O 2dz2 -0.051603 0.042657 -0.033066 0.045750 0.028408 0.065864 27O 2dxz 0.366405 0.226723 0.360382 0.170790 -0.375228 0.334021 27O 2dyz -0.081784 0.036666 -0.090094 -0.144671 0.038348 -0.128191 27O 2dx2y2 0.120377 0.160012 0.135020 0.044163 -0.207436 0.179641 27O 2dxy 0.257195 0.113101 0.244056 0.276439 -0.091141 0.195862 27O 1f0 0.116526 0.138941 0.117802 0.008566 -0.164852 0.098506 27O 1f+1 0.033122 -0.020383 0.037756 0.025801 -0.037434 0.037108 27O 1f-1 0.040685 -0.004961 0.013430 0.033074 0.033742 -0.006454 27O 1f+2 -0.139360 -0.133187 -0.133353 -0.018057 0.170627 -0.107302 27O 1f-2 0.073894 0.068758 0.065075 -0.001100 -0.090276 0.047096 27O 1f+3 0.101002 -0.042889 0.086620 0.146288 0.013897 0.070346 27O 1f-3 0.112253 -0.027195 0.110104 0.180945 0.009696 0.096547 28O 1s -0.000681 0.000225 0.000028 0.000356 -0.000192 -0.000073 28O 2s -0.001571 0.000564 0.000086 0.001353 -0.000795 -0.000322 28O 3s -0.023485 0.004097 -0.000368 -0.013962 0.005387 0.006736 28O 4s 0.380711 -0.086042 -0.004019 0.009870 0.007337 -0.021797 28O 5s -0.205005 0.048949 0.022173 0.096914 -0.029156 -0.063498 28O 1pz 0.024241 0.027581 0.026647 0.007318 0.037085 -0.021321 28O 1px 0.032501 0.012043 0.015880 -0.004164 0.027816 -0.013265 28O 1py 0.014413 -0.053218 -0.042543 -0.051328 -0.009807 0.035816 28O 2pz -0.188269 -0.090901 -0.107477 -0.055428 -0.131991 0.103570 28O 2px -0.035304 -0.080390 -0.066581 0.048316 -0.149406 0.046366 28O 2py -0.068904 0.224783 0.173358 0.209200 0.044940 -0.154561 28O 3pz -0.188037 -0.044345 -0.107406 0.158897 -0.316342 0.056738 28O 3px 0.061691 -0.044761 -0.057140 -0.024267 -0.010355 -0.005520 28O 3py -0.090597 0.092244 0.158358 0.222112 -0.078396 -0.044591 28O 1dz2 0.112575 -0.301444 -0.219025 -0.229007 -0.160483 0.284864 28O 1dxz 0.076945 0.066724 0.073653 -0.070064 0.149619 0.005679 28O 1dyz 0.351002 0.155685 0.175234 0.090101 0.211787 -0.188107 28O 1dx2y2 -0.078413 0.066503 0.062481 0.061067 -0.048815 0.031133 28O 1dxy 0.013417 -0.298711 -0.249297 -0.249149 -0.108583 0.199541 28O 2dz2 0.062239 0.317832 0.263428 0.172932 0.285252 -0.302362 28O 2dxz -0.089270 -0.077057 -0.090158 0.035320 -0.154197 0.024322 28O 2dyz -0.223657 -0.221145 -0.214594 -0.176698 -0.162750 0.212575 28O 2dx2y2 -0.043375 -0.058662 -0.078084 -0.002856 -0.057413 -0.009520 28O 2dxy -0.075585 0.366166 0.306200 0.336212 0.096117 -0.246478 28O 1f0 -0.140528 -0.076377 -0.060643 0.022178 -0.107309 0.033883 28O 1f+1 0.144005 0.127637 0.134217 0.028035 0.194090 -0.112353 28O 1f-1 -0.069025 0.051274 0.033278 0.081235 -0.041572 -0.031846 28O 1f+2 0.126685 -0.047674 -0.004873 -0.045845 0.059672 -0.005631 28O 1f-2 0.051634 -0.181708 -0.142376 -0.174983 -0.011256 0.111209 28O 1f+3 0.129931 -0.016072 0.012072 -0.054565 0.078060 -0.005437 28O 1f-3 0.039596 -0.146540 -0.126566 -0.133133 -0.048665 0.106238 29O 1s 0.000162 0.000295 0.000238 0.002974 -0.000944 0.001771 29O 2s 0.000413 0.001176 0.000787 0.010350 -0.003257 0.006466 29O 3s -0.005487 -0.020909 -0.011373 -0.153236 0.047980 -0.104478 29O 4s 0.018711 0.051186 0.026119 0.351568 -0.111187 0.246897 29O 5s -0.021089 0.027440 -0.000089 0.002897 0.006451 0.079670 29O 1pz 0.002446 -0.001522 0.001353 0.008562 -0.005864 0.003874 29O 1px 0.002581 -0.004795 -0.000545 -0.020352 0.005451 -0.014723 29O 1py 0.000470 0.005192 0.001739 0.024884 -0.007287 0.018280 29O 2pz -0.016853 0.008440 -0.008192 -0.042273 0.023770 -0.021503 29O 2px -0.007505 0.026486 0.004402 0.099744 -0.027487 0.083721 29O 2py -0.003288 -0.030129 -0.009869 -0.139856 0.041576 -0.112525 29O 3pz 0.009363 -0.008833 0.001654 -0.007818 -0.005554 -0.006466 29O 3px 0.007853 -0.001610 0.002603 0.029729 -0.010898 0.026177 29O 3py -0.002932 -0.013577 -0.001514 0.011848 0.000189 -0.044414 29O 1dz2 0.014313 0.010385 -0.004571 -0.073044 0.038755 -0.016966 29O 1dxz 0.018607 -0.003867 -0.000072 -0.060837 -0.000510 -0.030209 29O 1dyz 0.010249 -0.013875 -0.000556 -0.006400 0.011305 -0.004356 29O 1dx2y2 -0.000590 0.016780 -0.000042 0.019157 -0.014271 0.036115 29O 1dxy 0.003367 0.007654 0.001478 0.052004 -0.006719 0.029923 29O 2dz2 -0.008512 -0.003764 0.008623 0.111927 -0.051794 0.049309 29O 2dxz -0.017682 0.012406 0.001259 0.088697 -0.007506 0.057602 29O 2dyz -0.003473 0.007303 0.003079 0.009697 -0.014716 0.002656 29O 2dx2y2 -0.000745 -0.014209 -0.000871 -0.021334 0.014633 -0.035907 29O 2dxy -0.001474 -0.017496 -0.003383 -0.086850 0.016932 -0.063792 29O 1f0 0.001221 -0.008471 -0.003937 -0.071376 0.022695 -0.045721 29O 1f+1 -0.001402 0.004389 0.002791 0.028511 -0.009530 0.018755 29O 1f-1 0.003271 -0.007215 -0.007127 -0.083466 0.031614 -0.049211 29O 1f+2 0.002917 0.002666 0.002701 0.024201 -0.007667 0.016774 29O 1f-2 0.004870 -0.011140 -0.001116 -0.058243 0.008756 -0.042062 29O 1f+3 0.000878 0.003578 0.001308 0.015906 -0.002420 0.014074 29O 1f-3 -0.003541 0.002262 0.000523 0.023580 -0.002358 0.015044 30O 1s -0.000024 0.000349 0.000038 0.000305 -0.000247 -0.000101 30O 2s -0.000175 0.000850 -0.000043 0.000815 -0.000758 -0.000454 30O 3s 0.001767 0.014741 0.001636 -0.015467 0.000849 0.005544 30O 4s 0.011108 -0.243872 -0.002992 0.039890 0.040163 -0.001629 30O 5s -0.064374 0.176418 -0.025297 0.111527 -0.039773 -0.035079 30O 1pz -0.025789 0.032953 -0.042657 -0.016532 0.043081 -0.037917 30O 1px -0.001118 -0.014178 -0.006504 0.006478 0.026840 -0.002971 30O 1py -0.017556 0.037434 -0.027808 -0.044681 0.004971 -0.023741 30O 2pz 0.090568 -0.104193 0.172956 0.083523 -0.170352 0.163277 30O 2px 0.002195 0.001026 0.025719 -0.052777 -0.124544 0.017268 30O 2py 0.061840 -0.198887 0.112939 0.175468 -0.029809 0.106695 30O 3pz 0.098969 0.031540 0.158139 -0.101770 -0.223312 0.039190 30O 3px -0.001353 -0.013750 0.019673 0.042304 -0.036498 -0.001519 30O 3py 0.090094 -0.150111 0.115508 0.295495 0.150384 0.037309 30O 1dz2 0.058267 -0.240280 0.259020 0.223870 -0.263860 0.325365 30O 1dxz -0.115200 0.100613 -0.184869 -0.008099 0.193475 -0.094788 30O 1dyz -0.005422 0.253299 -0.051845 -0.060527 0.029736 -0.111774 30O 1dx2y2 -0.005842 0.017242 0.074930 0.040274 -0.129347 0.144654 30O 1dxy -0.103311 0.267802 -0.172851 -0.238797 0.015980 -0.124734 30O 2dz2 -0.087171 0.256413 -0.314281 -0.218964 0.335402 -0.354780 30O 2dxz 0.133530 -0.161212 0.229695 0.074305 -0.201167 0.145468 30O 2dyz 0.009881 -0.178203 0.064648 -0.008217 -0.100526 0.112842 30O 2dx2y2 -0.014665 0.116934 -0.088497 -0.170132 0.012945 -0.145323 30O 2dxy 0.114052 -0.291024 0.210845 0.269125 -0.055488 0.159454 30O 1f0 0.001871 -0.012205 0.022984 0.026461 -0.019208 0.014930 30O 1f+1 -0.071282 0.113579 -0.168826 -0.087405 0.168800 -0.146971 30O 1f-1 -0.050823 0.088871 -0.099528 -0.017334 0.106818 -0.067989 30O 1f+2 0.048231 -0.173726 0.068412 0.162878 0.061995 0.056967 30O 1f-2 0.009860 -0.035849 0.032090 -0.019510 -0.054710 0.035745 30O 1f+3 0.037747 -0.167825 0.087804 0.165585 0.016981 0.080063 30O 1f-3 -0.022218 -0.036536 -0.056259 0.025651 0.119047 -0.049125 31O 1s -0.000013 0.000344 -0.000037 0.000305 -0.000224 0.000103 31O 2s -0.000147 0.000833 0.000042 0.000813 -0.000677 0.000458 31O 3s 0.001229 0.014437 -0.001600 -0.015311 -0.000164 -0.005327 31O 4s 0.015375 -0.239981 0.002778 0.038674 0.041406 -0.000946 31O 5s -0.067649 0.183145 0.024148 0.111668 -0.035171 0.039998 31O 1pz 0.025459 -0.033633 -0.042591 0.016520 -0.043652 -0.037474 31O 1px 0.000818 0.014107 -0.006572 -0.006275 -0.026463 -0.002340 31O 1py 0.018409 -0.036135 -0.027703 0.044677 -0.005130 -0.023625 31O 2pz -0.089020 0.107947 0.172538 -0.083915 0.172768 0.161287 31O 2px -0.000549 -0.000620 0.026188 0.052485 0.122980 0.014856 31O 2py -0.065783 0.191880 0.112639 -0.174899 0.030608 0.106250 31O 3pz -0.093667 -0.024855 0.158432 0.101535 0.224638 0.035129 31O 3px 0.001188 0.010682 0.020085 -0.041201 0.035134 -0.002413 31O 3py -0.099576 0.138734 0.114410 -0.294735 -0.151134 0.040938 31O 1dz2 0.058738 -0.238535 -0.258672 0.223530 -0.267740 -0.321700 31O 1dxz -0.112875 0.103625 0.184623 -0.007820 0.194571 0.092274 31O 1dyz -0.008435 0.249940 0.051964 -0.060399 0.032704 0.112672 31O 1dx2y2 -0.008739 0.012965 -0.074564 0.040235 -0.130155 -0.142365 31O 1dxy -0.108936 0.260906 0.172180 -0.239255 0.017296 0.124586 31O 2dz2 -0.086703 0.256003 0.313910 -0.218751 0.339258 0.349956 31O 2dxz 0.132275 -0.163398 -0.229222 0.074111 -0.203291 -0.143010 31O 2dyz 0.010651 -0.178048 -0.064813 -0.008167 -0.103354 -0.112322 31O 2dx2y2 -0.015884 0.115788 0.087750 -0.169862 0.014433 0.145246 31O 2dxy 0.119720 -0.283436 -0.210175 0.269386 -0.056812 -0.158772 31O 1f0 -0.001916 0.012109 0.023015 -0.026708 0.019081 0.014609 31O 1f+1 0.070590 -0.114541 -0.168669 0.087398 -0.170512 -0.144667 31O 1f-1 0.050100 -0.089840 -0.099396 0.017386 -0.107494 -0.066415 31O 1f+2 -0.052031 0.168818 0.067947 -0.162695 -0.060766 0.058496 31O 1f-2 -0.008542 0.037820 0.032106 0.019590 0.055604 0.035166 31O 1f+3 -0.041685 0.162501 0.087320 -0.165299 -0.015916 0.080660 31O 1f-3 0.020592 0.034302 -0.056442 -0.025356 -0.118946 -0.047075 32O 1s 0.000136 0.000315 -0.000223 0.002888 -0.001169 -0.001736 32O 2s 0.000329 0.001241 -0.000741 0.010052 -0.004029 -0.006344 32O 3s -0.004367 -0.021765 0.010768 -0.148819 0.059379 0.102576 32O 4s 0.015850 0.053325 -0.024591 0.341251 -0.137994 -0.242544 32O 5s -0.018580 0.025341 -0.001336 0.003318 0.008257 -0.078281 32O 1pz -0.002917 0.001066 0.001232 -0.007280 0.006236 0.002718 32O 1px -0.002840 0.004771 -0.000536 0.020135 -0.007074 -0.014809 32O 1py -0.000368 -0.005188 0.001721 -0.024230 0.009171 0.017943 32O 2pz 0.018352 -0.007760 -0.007543 0.035460 -0.025584 -0.014132 32O 2px 0.008446 -0.026635 0.004412 -0.098791 0.035462 0.084623 32O 2py 0.002849 0.030106 -0.009749 0.136128 -0.052115 -0.110628 32O 3pz -0.011412 0.006167 0.001554 0.007980 0.004581 -0.004348 32O 3px -0.007691 0.000322 0.002377 -0.028765 0.012931 0.026779 32O 3py 0.003374 0.013455 -0.001947 -0.011983 -0.000072 -0.043782 32O 1dz2 0.013246 0.009513 0.004240 -0.070909 0.042828 0.015289 32O 1dxz 0.019629 -0.003495 0.000036 -0.060306 0.003428 0.031166 32O 1dyz 0.010554 -0.014343 0.000803 -0.008719 0.012794 0.003888 32O 1dx2y2 -0.000477 0.017420 -0.000099 0.017935 -0.016139 -0.034908 32O 1dxy 0.002639 0.007511 -0.001533 0.050129 -0.009804 -0.029828 32O 2dz2 -0.007770 -0.002431 -0.008016 0.108312 -0.058789 -0.046528 32O 2dxz -0.019168 0.012216 -0.001179 0.088126 -0.013699 -0.059401 32O 2dyz -0.003305 0.008001 -0.003337 0.012770 -0.017163 -0.001788 32O 2dx2y2 -0.001072 -0.014640 0.001034 -0.019625 0.016611 0.034061 32O 2dxy -0.000617 -0.017258 0.003386 -0.083580 0.022519 0.063158 32O 1f0 -0.001455 0.008163 -0.003274 0.064448 -0.025472 -0.041694 32O 1f+1 0.001558 -0.005468 0.002755 -0.031282 0.012610 0.021077 32O 1f-1 -0.003248 0.008598 -0.006950 0.083752 -0.038447 -0.049247 32O 1f+2 -0.002483 -0.003274 0.002838 -0.027569 0.010916 0.018841 32O 1f-2 -0.005968 0.010484 -0.000939 0.055679 -0.012070 -0.041748 32O 1f+3 -0.000876 -0.003149 0.001347 -0.013665 0.003128 0.012769 32O 1f-3 0.004077 -0.001880 0.000411 -0.022513 0.003718 0.014983 33O 1s -0.000684 0.000224 -0.000029 0.000360 -0.000183 0.000081 33O 2s -0.001566 0.000577 -0.000092 0.001370 -0.000759 0.000349 33O 3s -0.023484 0.003994 0.000426 -0.014196 0.004816 -0.006915 33O 4s 0.379324 -0.087983 0.004237 0.009947 0.008440 0.021386 33O 5s -0.205033 0.049233 -0.023039 0.100019 -0.024251 0.063312 33O 1pz -0.023816 -0.026588 0.026601 -0.007555 -0.037404 -0.020806 33O 1px -0.032631 -0.011875 0.015716 0.004373 -0.027832 -0.012654 33O 1py -0.013655 0.053736 -0.042506 0.051408 0.010628 0.035514 33O 2pz 0.186046 0.086698 -0.107314 0.056491 0.133785 0.101447 33O 2px 0.035094 0.078531 -0.065800 -0.049232 0.148778 0.043699 33O 2py 0.065648 -0.227476 0.173288 -0.209569 -0.048293 -0.153224 33O 3pz 0.182092 0.032940 -0.106004 -0.159978 0.316445 0.051351 33O 3px -0.060770 0.045822 -0.056996 0.024003 0.009282 -0.005249 33O 3py 0.086150 -0.097589 0.158841 -0.224003 0.077901 -0.045791 33O 1dz2 0.108537 -0.303713 0.219095 -0.230343 -0.165546 -0.281889 33O 1dxz 0.074387 0.061454 -0.073726 -0.069034 0.149790 -0.006842 33O 1dyz 0.349508 0.148763 -0.173659 0.089607 0.213759 0.183639 33O 1dx2y2 -0.075296 0.069557 -0.062184 0.060661 -0.048904 -0.031085 33O 1dxy 0.009521 -0.299804 0.249412 -0.249959 -0.111973 -0.197259 33O 2dz2 0.063889 0.316080 -0.263018 0.174305 0.289939 0.297520 33O 2dxz -0.086932 -0.072217 0.090492 0.033976 -0.155368 -0.023057 33O 2dyz -0.223790 -0.216835 0.213252 -0.176461 -0.165284 -0.208583 33O 2dx2y2 -0.044540 -0.058178 0.077227 -0.002067 -0.056979 0.011060 33O 2dxy -0.070348 0.369254 -0.306443 0.337356 0.100495 0.244139 33O 1f0 0.139180 0.073412 -0.060006 -0.022203 0.106913 0.032037 33O 1f+1 -0.142423 -0.123318 0.134070 -0.028744 -0.195738 -0.109680 33O 1f-1 0.067743 -0.052727 0.033235 -0.081285 0.041027 -0.032074 33O 1f+2 -0.125458 0.049810 -0.005798 0.046686 -0.058835 -0.004178 33O 1f-2 -0.048754 0.183972 -0.142158 0.175442 0.013220 0.110280 33O 1f+3 -0.128601 0.019365 0.011393 0.055249 -0.077677 -0.004050 33O 1f-3 -0.037494 0.148203 -0.126740 0.133729 0.050578 0.105224 34O 1s 0.000109 -0.000182 -0.000120 0.000050 -0.000468 -0.000198 34O 2s 0.000331 -0.000033 -0.000429 0.000363 -0.001449 -0.000700 34O 3s -0.002701 -0.031956 0.006747 0.002017 0.028170 0.010630 34O 4s 0.008117 0.280323 -0.024974 -0.038771 -0.110785 -0.031077 34O 5s -0.070434 0.011713 0.000528 0.053337 -0.070194 -0.048914 34O 1pz -0.046543 -0.030436 0.042667 -0.010331 0.052119 0.034955 34O 1px -0.008315 -0.002309 0.010417 -0.008706 0.014191 0.009521 34O 1py -0.034882 0.004352 0.029108 -0.044672 0.001835 0.024658 34O 2pz 0.182897 0.134297 -0.173216 0.039513 -0.222049 -0.152744 34O 2px 0.028614 0.121497 -0.047756 0.063645 -0.055434 -0.052614 34O 2py 0.140262 -0.036865 -0.116473 0.183695 -0.003117 -0.104462 34O 3pz 0.133885 0.001266 -0.150043 -0.063687 -0.177792 -0.043027 34O 3px 0.011006 0.106946 -0.031981 -0.139326 -0.183297 -0.036911 34O 3py 0.083518 -0.038330 -0.113540 0.279396 0.108034 -0.040029 34O 1dz2 0.053147 -0.068555 -0.023177 -0.062418 -0.004766 0.095567 34O 1dxz -0.310890 -0.117670 0.294154 -0.217168 0.244590 0.284067 34O 1dyz 0.067308 -0.069479 -0.075088 0.162309 -0.010609 -0.126343 34O 1dx2y2 -0.086380 -0.183593 0.111143 0.034762 0.249892 0.164412 34O 1dxy -0.209796 -0.207808 0.201629 -0.142045 0.160201 0.157767 34O 2dz2 -0.049901 0.044854 0.033356 0.045538 0.028177 -0.065739 34O 2dxz 0.365659 0.222716 -0.360615 0.170408 -0.379523 -0.329248 34O 2dyz -0.084539 0.032304 0.090493 -0.144620 0.040443 0.128362 34O 2dx2y2 0.115839 0.154151 -0.135316 0.043759 -0.210202 -0.177242 34O 2dxy 0.258415 0.114337 -0.243494 0.276130 -0.092882 -0.194637 34O 1f0 -0.114534 -0.135202 0.117949 -0.008584 0.165860 0.096028 34O 1f+1 -0.032753 0.020883 0.037939 -0.025733 0.038379 0.036964 34O 1f-1 -0.041661 0.003644 0.013269 -0.033009 -0.033694 -0.005865 34O 1f+2 0.137014 0.129027 -0.133496 0.018002 -0.171519 -0.104808 34O 1f-2 -0.073252 -0.067188 0.065320 0.000933 0.090777 0.045809 34O 1f+3 -0.102759 0.040223 0.086485 -0.145994 -0.012337 0.071363 34O 1f-3 -0.115689 0.022689 0.109812 -0.180663 -0.008169 0.097162 35O 1s 0.000245 0.000033 -0.000077 0.000519 -0.000323 0.000114 35O 2s 0.000088 0.000211 -0.000351 0.001749 -0.000924 0.000434 35O 3s 0.046602 -0.011417 0.006101 -0.031910 0.021011 -0.009059 35O 4s -0.426850 0.096952 -0.025330 0.097597 -0.076217 0.044939 35O 5s 0.046355 -0.026681 -0.017355 0.153359 -0.091692 -0.018950 35O 1pz 0.025971 -0.008028 -0.025238 -0.000125 0.044914 0.019739 35O 1px -0.012853 0.000488 -0.014408 0.005720 0.012439 0.014784 35O 1py 0.026421 -0.002985 0.043542 -0.052944 -0.013588 -0.035931 35O 2pz -0.126747 0.046733 0.100823 0.006858 -0.192660 -0.084117 35O 2px -0.089097 0.029984 0.052372 -0.030513 -0.037380 -0.048033 35O 2py -0.178034 0.006597 -0.179131 0.222170 0.061029 0.164893 35O 3pz -0.065552 -0.025243 0.093664 0.098827 -0.239567 -0.019402 35O 3px -0.143019 -0.002205 0.045204 0.115892 -0.170541 0.003585 35O 3py -0.098443 0.078858 -0.157695 0.229993 -0.109235 0.046862 35O 1dz2 -0.191149 -0.038375 -0.042049 0.173080 -0.030737 0.147541 35O 1dxz -0.137531 -0.041618 -0.186111 0.158429 0.164564 0.201534 35O 1dyz -0.271815 0.104230 -0.049526 0.057988 -0.063001 -0.023201 35O 1dx2y2 0.020822 -0.107721 -0.225784 0.144320 0.265933 0.260707 35O 1dxy 0.000284 0.037401 0.227946 -0.244776 -0.080040 -0.162321 35O 2dz2 0.145280 0.044121 0.046693 -0.144082 0.004914 -0.133840 35O 2dxz -0.026873 0.080501 0.222411 -0.090465 -0.302344 -0.220378 35O 2dyz 0.150849 -0.071742 0.059735 -0.015369 -0.019314 0.005659 35O 2dx2y2 0.079745 0.088247 0.274232 -0.233709 -0.225167 -0.289043 35O 2dxy -0.087136 -0.030827 -0.284169 0.328645 0.083801 0.214856 35O 1f0 0.097253 -0.040482 -0.081190 0.001508 0.155575 0.078102 35O 1f+1 -0.092035 0.036416 0.004243 0.040290 -0.056634 0.004257 35O 1f-1 -0.027490 0.025106 0.057162 -0.037850 -0.050969 -0.044618 35O 1f+2 -0.060146 0.039315 0.072682 -0.006357 -0.101439 -0.046084 35O 1f-2 -0.117343 0.025347 0.042945 0.061323 -0.137110 -0.028970 35O 1f+3 -0.191497 -0.006110 -0.182815 0.219030 0.039921 0.149540 35O 1f-3 -0.022449 0.009361 0.078117 -0.084393 -0.040403 -0.064235 720 721 722 723 724 725 6.93820 6.94085 7.00428 7.01299 7.01835 7.01916 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s 0.000078 0.000098 -0.000726 0.000077 0.000027 -0.000028 0Rh 2s -0.000955 -0.001532 0.001510 -0.000340 -0.000150 -0.000050 0Rh 3s -0.000084 -0.000295 -0.003553 0.000275 0.000074 -0.000200 0Rh 4s 0.006175 0.009953 -0.013142 0.002486 0.001017 0.000224 0Rh 5s -0.020197 -0.035295 0.034864 -0.007614 -0.002779 -0.002111 0Rh 6s 0.036292 0.079424 -0.015600 0.011201 0.002453 0.010855 0Rh 7s -0.116118 -0.413771 -0.016171 -0.040486 0.004984 -0.079095 0Rh 8s 0.205894 0.132982 0.446299 -0.000369 0.004347 0.037625 0Rh 1pz -0.002602 0.000922 0.010839 0.011268 0.002261 -0.012950 0Rh 1px 0.003380 0.014885 -0.030269 0.007580 -0.000540 0.002084 0Rh 1py 0.002420 0.014782 -0.006343 -0.011138 0.001770 -0.010424 0Rh 2pz 0.011072 -0.003938 -0.046005 -0.048256 -0.009651 0.055467 0Rh 2px -0.014286 -0.063352 0.128512 -0.032420 0.002304 -0.008841 0Rh 2py -0.010230 -0.062942 0.026977 0.047738 -0.007592 0.044702 0Rh 3pz -0.039278 0.014251 0.161692 0.178112 0.034873 -0.204875 0Rh 3px 0.048077 0.226729 -0.452018 0.118830 -0.008329 0.031031 0Rh 3py 0.034985 0.225666 -0.095856 -0.176947 0.028201 -0.166176 0Rh 4pz 0.056511 -0.021106 -0.232786 -0.280402 -0.052118 0.322848 0Rh 4px -0.058469 -0.340700 0.649157 -0.184681 0.012742 -0.045052 0Rh 4py -0.047171 -0.338964 0.140695 0.280453 -0.044623 0.264607 0Rh 5pz -0.035584 0.010317 0.148506 0.218047 0.032672 -0.252052 0Rh 5px 0.011422 0.244686 -0.402564 0.138634 -0.010185 0.030254 0Rh 5py 0.022533 0.237150 -0.092852 -0.221544 0.034617 -0.211254 0Rh 6pz 0.114391 0.072966 -0.197094 -0.646368 -0.094014 0.788608 0Rh 6px -0.015651 -0.076053 0.497151 -0.333834 -0.002532 0.076452 0Rh 6py 0.064366 -0.043462 0.090886 0.731502 -0.130638 0.782395 0Rh 1dz2 0.001778 0.002313 -0.001836 0.003391 0.002583 -0.002226 0Rh 1dxz 0.000640 -0.000277 -0.001667 -0.003274 -0.000422 0.005039 0Rh 1dyz -0.000560 0.000388 -0.000202 -0.000846 0.008217 -0.000620 0Rh 1dx2y2 0.001462 0.000402 0.002325 -0.003359 0.001330 -0.000296 0Rh 1dxy 0.001705 -0.001845 0.000460 0.004605 0.002217 0.004268 0Rh 2dz2 0.000904 0.000117 0.001943 -0.001004 -0.003558 0.000414 0Rh 2dxz 0.001823 0.001779 0.002029 0.000807 -0.000025 -0.000935 0Rh 2dyz 0.000638 0.000191 0.000377 -0.000149 -0.010148 -0.000546 0Rh 2dx2y2 -0.003740 -0.002661 -0.003133 0.000736 -0.001450 -0.000658 0Rh 2dxy -0.002333 -0.000267 -0.000924 -0.001307 -0.003540 -0.001490 0Rh 3dz2 -0.015518 -0.014499 0.000861 -0.015419 0.003125 0.011461 0Rh 3dxz -0.013435 -0.007547 -0.000663 0.015791 0.002719 -0.025839 0Rh 3dyz 0.000007 -0.003348 -0.000817 0.005934 0.003625 0.006758 0Rh 3dx2y2 0.010806 0.011303 0.002492 0.016610 -0.000427 0.005204 0Rh 3dxy 0.001936 0.012424 0.002155 -0.021319 0.005253 -0.018261 0Rh 4dz2 0.049934 0.042071 0.005724 0.042177 -0.025883 -0.033308 0Rh 4dxz 0.047159 0.027434 0.011440 -0.044072 -0.008092 0.072659 0Rh 4dyz 0.002914 0.010788 0.004391 -0.017494 -0.056546 -0.023910 0Rh 4dx2y2 -0.047340 -0.040452 -0.021273 -0.046107 -0.005482 -0.017202 0Rh 4dxy -0.015074 -0.036277 -0.010889 0.058775 -0.031898 0.048119 0Rh 5dz2 -0.138022 -0.090010 -0.033051 -0.074287 0.158119 0.072664 0Rh 5dxz -0.147588 -0.075652 -0.056355 0.072192 0.012794 -0.126392 0Rh 5dyz -0.020153 -0.031488 -0.014327 0.023230 0.384808 0.091301 0Rh 5dx2y2 0.187522 0.106585 0.084034 0.078315 0.050442 0.043296 0Rh 5dxy 0.074652 0.074622 0.035925 -0.097110 0.163458 -0.054729 0Rh 1f0 0.001172 0.008239 -0.003602 -0.008092 0.000947 -0.004984 0Rh 1f+1 -0.001046 -0.000417 0.001480 0.005434 -0.002495 -0.010590 0Rh 1f-1 -0.000869 0.009370 -0.001188 0.000500 0.004391 -0.020045 0Rh 1f+2 -0.000010 -0.007609 0.004078 -0.017267 0.001312 0.012458 0Rh 1f-2 -0.001349 0.004402 0.000326 -0.013980 -0.000409 -0.011205 0Rh 1f+3 -0.000430 -0.006491 0.004258 0.014755 -0.000690 -0.000911 0Rh 1f-3 -0.004001 -0.000524 0.001892 -0.009272 0.003437 -0.008727 1Rh 1s -0.000068 0.000102 0.000726 0.000043 -0.000019 -0.000018 1Rh 2s 0.000803 -0.001599 -0.001510 -0.000218 0.000167 -0.000066 1Rh 3s 0.000055 -0.000308 0.003556 0.000137 -0.000016 -0.000149 1Rh 4s -0.005193 0.010387 0.013145 0.001565 -0.001102 0.000380 1Rh 5s 0.016716 -0.036742 -0.034865 -0.004970 0.003480 -0.002539 1Rh 6s -0.028471 0.082133 0.015567 0.008488 -0.005857 0.011065 1Rh 7s 0.075265 -0.422771 0.016643 -0.035646 0.020944 -0.079444 1Rh 8s -0.192674 0.153183 -0.446938 0.008584 -0.016054 0.029668 1Rh 1pz -0.002157 -0.000385 0.010301 -0.011661 -0.002447 0.013101 1Rh 1px 0.002151 -0.014987 -0.030465 -0.006577 -0.000014 -0.002610 1Rh 1py 0.000669 -0.015053 -0.006165 0.011269 -0.001409 0.010456 1Rh 2pz 0.009180 0.001648 -0.043702 0.049924 0.010511 -0.056098 1Rh 2px -0.009054 0.063777 0.129354 0.028162 0.000078 0.011079 1Rh 2py -0.002774 0.064091 0.026212 -0.048288 0.006039 -0.044841 1Rh 3pz -0.032530 -0.006011 0.153217 -0.184007 -0.039519 0.206847 1Rh 3px 0.029358 -0.227930 -0.455129 -0.103824 -0.000638 -0.039027 1Rh 3py 0.008256 -0.229646 -0.093024 0.178790 -0.022448 0.166739 1Rh 4pz 0.046424 0.008726 -0.219501 0.288944 0.064871 -0.324753 1Rh 4px -0.030317 0.341082 0.654051 0.163096 0.001846 0.056887 1Rh 4py -0.007035 0.344510 0.136210 -0.282853 0.035970 -0.265581 1Rh 5pz -0.028431 -0.001231 0.138264 -0.223498 -0.058091 0.250570 1Rh 5px -0.009112 -0.241657 -0.406309 -0.125175 -0.002967 -0.038381 1Rh 5py -0.005461 -0.240302 -0.089347 0.222596 -0.029663 0.212079 1Rh 6pz 0.118646 -0.102794 -0.172093 0.653587 0.185067 -0.779282 1Rh 6px -0.002270 0.066586 0.506471 0.315509 0.028767 -0.066120 1Rh 6py 0.065066 0.044525 0.081295 -0.727885 0.106283 -0.787075 1Rh 1dz2 -0.001682 0.002562 0.001987 0.003409 -0.001538 -0.002890 1Rh 1dxz -0.000512 -0.000278 0.001461 -0.003265 -0.001318 0.004875 1Rh 1dyz 0.000496 0.000543 0.000216 -0.000599 -0.007531 -0.003169 1Rh 1dx2y2 -0.001362 0.000543 -0.002424 -0.003320 -0.001208 -0.000677 1Rh 1dxy -0.001990 -0.001588 -0.000362 0.004679 -0.003313 0.003389 1Rh 2dz2 -0.000822 0.000154 -0.001996 -0.001078 0.003158 0.001520 1Rh 2dxz -0.001722 0.001974 -0.001964 0.000814 0.000354 -0.000876 1Rh 2dyz -0.000561 0.000131 -0.000407 -0.000461 0.009722 0.002741 1Rh 2dx2y2 0.003445 -0.003019 0.003161 0.000670 0.001556 -0.000164 1Rh 2dxy 0.002359 -0.000539 0.000888 -0.001417 0.003766 -0.000284 1Rh 3dz2 0.014519 -0.016200 -0.001508 -0.015138 -0.007407 0.009637 1Rh 3dxz 0.012145 -0.008566 0.001581 0.015687 0.006166 -0.025149 1Rh 3dyz -0.000013 -0.003980 0.000887 0.006081 -0.005587 0.004888 1Rh 3dx2y2 -0.009884 0.012331 -0.002037 0.016733 -0.000850 0.004908 1Rh 3dxy -0.000365 0.012297 -0.002564 -0.021178 0.000262 -0.019297 1Rh 4dz2 -0.046788 0.047335 -0.003992 0.041011 0.037213 -0.022635 1Rh 4dxz -0.043160 0.031227 -0.013932 -0.043653 -0.016869 0.070789 1Rh 4dyz -0.002684 0.012515 -0.004677 -0.019318 0.060964 -0.003351 1Rh 4dx2y2 0.043743 -0.044976 0.020027 -0.046867 0.009384 -0.013993 1Rh 4dxy 0.010659 -0.036958 0.011983 0.057797 0.016422 0.056788 1Rh 5dz2 0.130318 -0.103789 0.030208 -0.068966 -0.176400 0.016346 1Rh 5dxz 0.138547 -0.088207 0.060432 0.070911 0.030188 -0.122211 1Rh 5dyz 0.019128 -0.035029 0.014802 0.035226 -0.392876 -0.041307 1Rh 5dx2y2 -0.176810 0.124570 -0.081998 0.081449 -0.058788 0.022915 1Rh 5dxy -0.065982 0.080601 -0.037679 -0.091818 -0.139799 -0.106916 1Rh 1f0 0.000157 -0.008320 -0.003428 0.008159 -0.000516 0.005018 1Rh 1f+1 -0.000776 0.000437 0.001170 -0.005412 -0.005891 0.009170 1Rh 1f-1 -0.001584 -0.009192 -0.001483 -0.000602 -0.002365 0.020400 1Rh 1f+2 0.000075 0.007632 0.004782 0.017054 0.005882 -0.011119 1Rh 1f-2 -0.002060 -0.004273 0.000607 0.013920 -0.003634 0.010506 1Rh 1f+3 0.000617 0.006474 0.003794 -0.014819 -0.001320 0.000627 1Rh 1f-3 -0.004147 0.000988 0.002059 0.009027 0.000657 0.009516 2C 1s 0.000385 0.000038 -0.000710 -0.000033 -0.000358 0.000781 2C 2s 0.000194 -0.000048 -0.001124 -0.000211 -0.000247 0.001355 2C 3s 0.022131 -0.001839 0.004518 0.010328 0.008860 0.002151 2C 4s -0.105719 0.053606 -0.012434 -0.036943 -0.040284 -0.025316 2C 5s 0.254950 0.111710 0.233180 0.122327 0.127944 -0.376102 2C 1pz 0.001072 -0.002509 0.004799 0.000760 -0.001409 -0.006032 2C 1px -0.001848 -0.002232 -0.017154 -0.003714 0.010079 0.025771 2C 1py -0.002066 -0.001656 -0.003587 0.001001 0.003225 0.007270 2C 2pz -0.070048 0.058021 -0.130466 -0.036413 0.033099 0.168694 2C 2px 0.004637 0.052905 0.194777 0.057142 -0.153686 -0.350233 2C 2py -0.020686 0.053251 0.003234 -0.019021 -0.040331 -0.050778 2C 3pz 0.041168 0.029716 0.020707 -0.013077 0.026182 -0.048493 2C 3px 0.043119 -0.009354 0.067696 0.030358 -0.008653 -0.093778 2C 3py 0.035421 0.001864 0.031450 0.062634 0.008818 -0.048835 2C 1dz2 -0.008438 -0.008439 0.004281 -0.001700 0.010033 0.001197 2C 1dxz 0.005014 0.015781 -0.013923 -0.002554 -0.017363 0.002850 2C 1dyz -0.006936 0.000306 0.000178 -0.003116 0.001633 -0.000664 2C 1dx2y2 0.001808 0.001116 0.004618 -0.002177 -0.000759 -0.005190 2C 1dxy 0.005725 0.008307 -0.010048 0.005154 -0.013042 0.003021 2C 2dz2 -0.032309 -0.002021 -0.059720 -0.021493 0.045514 0.101657 2C 2dxz 0.040948 0.036041 0.032342 0.020581 -0.073590 -0.090424 2C 2dyz -0.028568 0.017154 -0.007656 0.000810 -0.015119 -0.007070 2C 2dx2y2 -0.000809 -0.016898 0.059191 0.027197 -0.021743 -0.084028 2C 2dxy 0.010338 0.041064 0.031519 -0.004408 -0.057383 -0.078721 2C 1f0 -0.016062 -0.019298 0.007801 -0.001611 0.028325 0.009752 2C 1f+1 0.007055 0.014252 -0.003120 0.002968 -0.023936 -0.014462 2C 1f-1 -0.009355 -0.006280 -0.003473 -0.005188 0.009894 0.010749 2C 1f+2 0.012689 0.011640 0.000023 0.002523 -0.015851 -0.008608 2C 1f-2 0.013877 0.017428 -0.004331 0.004152 -0.034515 -0.018858 2C 1f+3 0.008705 0.013302 0.000507 0.004844 -0.020818 -0.013834 2C 1f-3 -0.005029 -0.002112 0.009709 0.002721 0.004079 -0.010152 3C 1s -0.000352 -0.000041 -0.000629 -0.000591 0.000280 -0.000064 3C 2s -0.000298 0.000032 -0.000922 -0.000965 0.000016 -0.000201 3C 3s -0.017787 -0.007251 0.000130 -0.004169 0.002854 0.001136 3C 4s 0.097765 0.063538 0.011814 0.020970 -0.024838 0.012943 3C 5s -0.048648 0.035071 0.228448 0.184457 0.054940 0.161567 3C 1pz 0.000697 -0.001777 0.004163 0.005630 0.003008 0.002167 3C 1px -0.003729 0.001502 -0.017231 -0.022890 -0.013848 -0.006607 3C 1py 0.001122 0.002408 -0.002080 -0.001903 -0.001981 0.000720 3C 2pz 0.012579 0.051834 -0.068110 -0.110915 -0.070786 -0.036500 3C 2px 0.054792 -0.032132 0.201130 0.312692 0.192156 0.100006 3C 2py -0.040379 -0.067519 0.066292 0.090633 0.069762 0.003721 3C 3pz -0.018353 -0.006288 0.004316 -0.009594 -0.007707 0.028888 3C 3px 0.027308 -0.019381 0.067015 0.074646 0.025622 0.081841 3C 3py 0.013495 -0.020580 -0.027246 -0.019042 -0.018044 -0.003710 3C 1dz2 -0.000543 0.004594 0.004572 0.001469 -0.005207 -0.001812 3C 1dxz 0.003942 -0.007622 -0.011035 -0.007301 0.006575 0.003146 3C 1dyz 0.000733 -0.003243 -0.006462 -0.001158 0.009468 -0.000235 3C 1dx2y2 -0.000266 -0.005730 -0.005886 -0.000197 0.010864 0.002382 3C 1dxy -0.008223 0.004121 0.010964 0.000626 -0.015858 0.002391 3C 2dz2 -0.019390 -0.007118 -0.011652 -0.034477 -0.030253 -0.004954 3C 2dxz 0.028362 0.024992 -0.028569 -0.013996 0.021803 -0.019730 3C 2dyz -0.003776 -0.022694 0.015693 0.033378 0.043823 0.004535 3C 2dx2y2 0.017215 -0.019713 0.054015 0.092744 0.068961 0.022982 3C 2dxy -0.033074 0.020456 -0.057779 -0.107961 -0.096650 -0.047918 3C 1f0 -0.002536 0.001376 -0.002423 -0.006421 -0.006916 -0.002808 3C 1f+1 0.000359 -0.001421 0.013466 0.012592 -0.000429 0.004806 3C 1f-1 0.005126 -0.006438 0.000292 0.009379 0.016584 0.003940 3C 1f+2 0.006241 -0.007343 -0.000935 0.014970 0.032323 0.008615 3C 1f-2 -0.009506 0.006912 0.005341 -0.003235 -0.015386 -0.003353 3C 1f+3 0.013955 -0.008452 -0.005521 0.010364 0.029664 0.004487 3C 1f-3 0.012683 -0.009763 -0.007434 0.011627 0.036609 0.004358 4C 1s 0.003520 0.003576 0.001084 0.000660 0.000555 0.000882 4C 2s 0.010418 0.007763 0.002896 0.002316 0.001081 0.001628 4C 3s -0.136901 0.023325 -0.007129 -0.027253 -0.000470 -0.012732 4C 4s 0.191916 -0.452156 -0.055764 0.026956 -0.049102 -0.054959 4C 5s -0.057367 -0.218889 -0.156634 -0.020828 -0.046849 0.147577 4C 1pz -0.004505 0.008045 0.067805 0.016315 -0.050402 -0.111728 4C 1px -0.049554 -0.073965 -0.230020 -0.059272 0.158962 0.344954 4C 1py -0.020671 -0.021904 -0.045432 -0.013302 0.029621 0.061735 4C 2pz 0.021049 -0.071916 0.312947 0.022374 -0.226835 -0.409436 4C 2px -0.284823 -0.101126 -1.244159 -0.244229 0.554486 1.341387 4C 2py -0.093555 -0.073057 -0.284027 -0.070655 0.072476 0.264230 4C 3pz 0.227176 -0.035678 0.232591 0.127242 0.030199 -0.395555 4C 3px -0.120268 -0.037852 -0.562964 -0.128846 0.157726 0.801649 4C 3py 0.084443 -0.036350 -0.054559 0.009088 0.083190 0.043631 4C 1dz2 0.033429 0.032822 0.055693 0.030139 -0.059462 -0.083048 4C 1dxz -0.027885 -0.014121 -0.086129 -0.045305 0.103535 0.148122 4C 1dyz -0.003868 0.010523 0.001713 -0.018608 -0.005765 -0.005643 4C 1dx2y2 -0.026884 -0.028252 -0.011704 -0.027253 0.003977 0.000596 4C 1dxy -0.027293 -0.061747 -0.071527 0.012843 0.071996 0.110740 4C 2dz2 0.005522 -0.097808 -0.012875 0.027354 0.046412 0.156855 4C 2dxz -0.050801 0.073144 0.074914 -0.054938 -0.065803 -0.282394 4C 2dyz 0.016390 -0.059784 0.003027 -0.072836 0.012735 -0.002872 4C 2dx2y2 0.025989 0.036570 -0.027393 -0.069190 -0.005223 -0.011383 4C 2dxy 0.028371 -0.044775 0.036528 0.180797 -0.059806 -0.194335 4C 1f0 0.021698 0.028341 -0.101591 0.039182 -0.046830 0.092504 4C 1f+1 -0.050099 -0.010408 0.095711 -0.043784 0.052220 -0.085959 4C 1f-1 -0.003130 0.012677 -0.029003 -0.039387 -0.017164 0.022754 4C 1f+2 0.007715 -0.026152 0.075475 -0.014721 0.025957 -0.059934 4C 1f-2 -0.041172 -0.063168 0.112039 0.039458 0.056670 -0.101756 4C 1f+3 -0.009896 -0.061827 0.102321 0.067381 0.041212 -0.074494 4C 1f-3 -0.011291 -0.012213 0.030130 0.014750 0.007316 -0.010460 5C 1s -0.002974 0.004852 0.000546 0.000682 0.000489 0.001519 5C 2s -0.007635 0.010449 0.001284 0.001394 0.001461 0.003922 5C 3s 0.076862 0.014593 0.012129 0.025732 -0.006123 -0.002065 5C 4s -0.028110 -0.521869 -0.093790 -0.156947 -0.046937 -0.172254 5C 5s 0.028899 -0.209398 -0.148619 -0.162133 -0.033828 -0.128574 5C 1pz 0.027372 -0.027736 0.071103 0.099395 0.066367 0.024527 5C 1px -0.058283 0.042589 -0.228111 -0.316398 -0.207858 -0.091820 5C 1py -0.023218 0.028306 -0.039294 -0.054562 -0.036956 -0.010480 5C 2pz 0.157447 -0.121392 0.380731 0.359371 0.210447 0.075285 5C 2px -0.333943 0.073612 -1.237030 -1.209933 -0.753352 -0.367117 5C 2py -0.147747 0.126990 -0.173435 -0.164793 -0.087751 0.004899 5C 3pz 0.038110 -0.052188 0.206775 0.235481 0.111559 0.097479 5C 3px -0.201176 0.040335 -0.527671 -0.733362 -0.251240 -0.192246 5C 3py 0.016434 0.091394 -0.149664 -0.131294 -0.081318 -0.108023 5C 1dz2 0.011747 0.024045 0.035087 0.055520 0.047896 0.001795 5C 1dxz -0.045643 0.017212 -0.040632 -0.068313 -0.064324 0.018002 5C 1dyz -0.023193 0.026471 -0.040579 -0.059387 -0.051581 -0.015429 5C 1dx2y2 -0.010117 -0.023579 -0.058916 -0.084913 -0.074005 -0.032680 5C 1dxy 0.035424 -0.068012 0.085598 0.117659 0.112697 0.062489 5C 2dz2 0.035351 0.096184 -0.000328 -0.045702 -0.023400 -0.096050 5C 2dxz -0.040091 -0.096222 0.049384 0.130109 0.049222 0.167416 5C 2dyz 0.011131 0.072183 0.026107 0.124383 0.047960 0.051125 5C 2dx2y2 -0.005728 -0.018040 0.015108 0.101293 0.057681 0.060945 5C 2dxy -0.003041 -0.016391 -0.040749 -0.264648 -0.141314 0.058062 5C 1f0 0.005986 0.030385 -0.051119 -0.021017 0.020642 -0.048133 5C 1f+1 -0.000178 -0.007172 0.023936 0.005747 -0.012635 0.046876 5C 1f-1 -0.016615 -0.001382 0.046405 0.037683 -0.023696 0.035243 5C 1f+2 -0.022911 0.013631 0.125303 0.091583 -0.040026 0.041909 5C 1f-2 0.016200 0.005632 -0.039181 -0.041534 0.024408 -0.036859 5C 1f+3 0.010490 0.066702 0.126522 0.113250 -0.028694 -0.037938 5C 1f-3 -0.020983 0.030804 0.107589 0.092547 -0.036182 0.000799 6C 1s 0.003343 0.004656 -0.000490 0.000821 -0.000850 0.001366 6C 2s 0.008438 0.010119 -0.001171 0.001811 -0.002462 0.003441 6C 3s -0.075166 0.012636 -0.012139 0.022384 0.007629 -0.001165 6C 4s -0.014347 -0.498224 0.089180 -0.159543 0.087001 -0.150805 6C 5s -0.044752 -0.198225 0.147199 -0.170700 0.066967 -0.111945 6C 1pz 0.031045 0.024764 0.068450 -0.103091 0.067807 -0.001172 6C 1px -0.066350 -0.033882 -0.219186 0.329128 -0.216400 0.018591 6C 1py -0.026260 -0.026355 -0.037854 0.056107 -0.036791 -0.002598 6C 2pz 0.168535 0.102181 0.371529 -0.373317 0.212455 0.001108 6C 2px -0.342860 -0.029610 -1.205643 1.265604 -0.786788 0.096450 6C 2py -0.158295 -0.109357 -0.168811 0.167272 -0.077568 -0.036613 6C 3pz 0.040960 0.038942 0.201411 -0.247462 0.130591 -0.055718 6C 3px -0.204021 -0.020895 -0.510890 0.753668 -0.275148 0.099097 6C 3py 0.011459 -0.080930 -0.147026 0.143327 -0.109855 0.075302 6C 1dz2 -0.011170 0.025427 -0.033123 0.058257 -0.043771 -0.013724 6C 1dxz 0.048757 0.012572 0.038347 -0.070732 0.053180 0.038534 6C 1dyz 0.026720 0.023787 0.039060 -0.061827 0.052072 0.002549 6C 1dx2y2 0.010112 -0.025491 0.056311 -0.089215 0.077140 -0.007189 6C 1dxy -0.043221 -0.063189 -0.082910 0.123371 -0.123372 0.021778 6C 2dz2 -0.027539 0.095171 0.000191 -0.047447 0.052921 -0.083739 6C 2dxz 0.030227 -0.100731 -0.047578 0.133321 -0.095576 0.143269 6C 2dyz -0.005360 0.070589 -0.023012 0.126452 -0.058537 0.033456 6C 2dx2y2 0.005101 -0.015119 -0.012504 0.104087 -0.074171 0.038880 6C 2dxy 0.006839 -0.016582 0.031855 -0.270759 0.106186 0.098925 6C 1f0 0.005160 -0.030038 -0.051326 0.021750 0.004764 0.051880 6C 1f+1 -0.000808 0.007611 0.024508 -0.005755 0.002485 -0.048378 6C 1f-1 -0.018282 0.002088 0.045910 -0.038450 -0.012439 -0.041057 6C 1f+2 -0.027879 -0.012710 0.123354 -0.094133 -0.027712 -0.052289 6C 1f-2 0.016998 -0.008078 -0.038532 0.041681 0.012606 0.042755 6C 1f+3 0.001791 -0.066678 0.122886 -0.115004 -0.044085 0.026954 6C 1f-3 -0.026877 -0.031560 0.104927 -0.094693 -0.037465 -0.012564 7C 1s -0.003074 0.003919 -0.001113 0.000599 -0.000791 0.000709 7C 2s -0.009440 0.008909 -0.002941 0.002071 -0.001461 0.001367 7C 3s 0.138041 0.004411 0.006653 -0.022294 0.003560 -0.015314 7C 4s -0.239699 -0.413523 0.059701 0.016209 0.064697 -0.029866 7C 5s 0.037459 -0.217721 0.158084 -0.026579 -0.005901 0.161265 7C 1pz -0.004108 -0.006494 0.065767 -0.016673 -0.084568 0.090311 7C 1px -0.044233 0.076382 -0.224347 0.058830 0.264681 -0.277236 7C 1py -0.018608 0.023702 -0.044440 0.012886 0.048470 -0.049002 7C 2pz 0.028257 0.070747 0.306777 -0.024569 -0.344971 0.318034 7C 2px -0.274626 0.120794 -1.223582 0.253068 0.965389 -1.103528 7C 2py -0.086534 0.078131 -0.280185 0.072920 0.156856 -0.229631 7C 3pz 0.233259 0.005647 0.227910 -0.126753 -0.106771 0.385355 7C 3px -0.114160 0.044476 -0.551682 0.134390 0.412263 -0.716432 7C 3py 0.091627 0.023314 -0.052796 -0.006856 0.090953 -0.016057 7C 1dz2 -0.031259 0.035105 -0.053902 0.029126 0.083914 -0.059523 7C 1dxz 0.028956 -0.015976 0.082862 -0.043805 -0.147478 0.107299 7C 1dyz 0.005796 0.010224 -0.002411 -0.018521 0.006810 -0.003814 7C 1dx2y2 0.024509 -0.030477 0.010990 -0.026935 -0.004601 -0.001206 7C 1dxy 0.020216 -0.063705 0.071274 0.013946 -0.104197 0.082458 7C 2dz2 -0.015466 -0.097290 0.011778 0.029253 -0.094333 0.133281 7C 2dxz 0.060507 0.064134 -0.073942 -0.054356 0.152503 -0.248144 7C 2dyz -0.019662 -0.056786 -0.005218 -0.073341 -0.013282 -0.006407 7C 2dx2y2 -0.020682 0.041937 0.025508 -0.071624 0.006999 -0.007959 7C 2dxy -0.038941 -0.040959 -0.028206 0.178665 0.125453 -0.163137 7C 1f0 0.022024 -0.030377 -0.101389 -0.035175 -0.016005 -0.103963 7C 1f+1 -0.052049 0.016578 0.095892 0.038725 0.023292 0.100392 7C 1f-1 -0.005085 -0.012125 -0.027536 0.040202 -0.007627 -0.027158 7C 1f+2 0.008437 0.024860 0.075180 0.012495 0.005995 0.065733 7C 1f-2 -0.035486 0.068355 0.109560 -0.044756 0.020299 0.116536 7C 1f+3 -0.003577 0.062805 0.099472 -0.071680 0.013513 0.085135 7C 1f-3 -0.009885 0.014811 0.029620 -0.016510 0.003589 0.013076 8C 1s 0.000336 -0.000041 0.000632 -0.000601 -0.000261 -0.000147 8C 2s 0.000295 0.000034 0.000924 -0.001006 0.000028 -0.000192 8C 3s 0.016930 -0.008223 -0.000275 -0.003397 -0.003161 0.000280 8C 4s -0.089674 0.068234 -0.011857 0.017397 0.018234 0.019027 8C 5s 0.052857 0.041400 -0.227839 0.202721 -0.100645 0.135601 8C 1pz 0.000866 0.001682 0.004029 -0.005823 0.003357 -0.001086 8C 1px -0.003984 -0.000941 -0.016607 0.023765 -0.014468 0.001723 8C 1py 0.000978 -0.002557 -0.002018 0.001993 -0.001564 -0.001355 8C 2pz 0.006520 -0.050136 -0.065531 0.116583 -0.074636 0.012225 8C 2px 0.059643 0.025404 0.192353 -0.322799 0.204187 -0.031305 8C 2py -0.032963 0.067577 0.064031 -0.097132 0.063228 0.018389 8C 3pz -0.018312 0.006815 0.005046 0.008428 0.003102 -0.030623 8C 3px 0.027993 0.015532 0.066449 -0.078102 0.048369 -0.068277 8C 3py 0.015438 0.021648 -0.026842 0.022086 -0.018071 -0.002288 8C 1dz2 0.001207 0.004632 -0.004449 0.001340 0.005609 -0.000013 8C 1dxz -0.004966 -0.007430 0.010734 -0.007435 -0.007603 0.000849 8C 1dyz -0.001526 -0.002963 0.006498 -0.000918 -0.008957 -0.003235 8C 1dx2y2 -0.000795 -0.005475 0.005860 0.000206 -0.011109 -0.001177 8C 1dxy 0.009476 0.003623 -0.011088 0.000607 0.014373 0.007450 8C 2dz2 0.019651 -0.008639 0.011429 -0.036543 0.029610 0.004768 8C 2dxz -0.027628 0.026757 0.028466 -0.014225 -0.015124 -0.025518 8C 2dyz 0.000533 -0.021528 -0.014505 0.035602 -0.041473 -0.009506 8C 2dx2y2 -0.020298 -0.017253 -0.052313 0.097622 -0.069805 -0.000421 8C 2dxy 0.036275 0.016912 0.054381 -0.111224 0.103489 -0.013535 8C 1f0 -0.002927 -0.001184 -0.001969 0.006355 -0.007208 0.000342 8C 1f+1 0.000098 0.001296 0.013101 -0.012822 0.000772 -0.004572 8C 1f-1 0.006176 0.005861 0.000030 -0.009895 0.016734 0.001631 8C 1f+2 0.007926 0.006495 -0.001388 -0.016056 0.033005 0.002303 8C 1f-2 -0.010530 -0.006226 0.005297 0.003517 -0.015668 -0.001881 8C 1f+3 0.015567 0.007280 -0.005752 -0.011045 0.029367 0.005392 8C 1f-3 0.015001 0.008500 -0.007882 -0.012515 0.035763 0.007662 9C 1s -0.000378 0.000095 0.000717 -0.000080 0.000086 0.000903 9C 2s -0.000186 -0.000009 0.001126 -0.000261 -0.000224 0.001423 9C 3s -0.022769 0.001013 -0.004183 0.009848 -0.008383 -0.000461 9C 4s 0.112088 0.039935 0.010844 -0.034234 0.044022 -0.014030 9C 5s -0.250956 0.143877 -0.232567 0.126095 0.009640 -0.403606 9C 1pz 0.001361 0.002479 0.004635 -0.000757 -0.003294 0.005272 9C 1px -0.001621 0.002261 -0.016760 0.003816 0.017946 -0.021275 9C 1py -0.001923 0.001836 -0.003541 -0.001068 0.005353 -0.005887 9C 2pz -0.075954 -0.050747 -0.127487 0.035469 0.087630 -0.149321 9C 2px 0.000378 -0.050800 0.188935 -0.057066 -0.259965 0.283570 9C 2py -0.025644 -0.050002 0.002060 0.019453 -0.052871 0.034721 9C 3pz 0.039186 -0.034778 0.021547 0.012871 0.008298 0.054930 9C 3px 0.043637 0.005141 0.066384 -0.028060 -0.039583 0.087149 9C 3py 0.036839 -0.006993 0.030247 -0.063213 -0.010309 0.049569 9C 1dz2 0.007763 -0.009341 -0.004278 -0.001033 -0.010077 -0.002283 9C 1dxz -0.003855 0.016216 0.013874 -0.003513 0.015542 0.008583 9C 1dyz 0.007097 -0.000586 -0.000221 -0.002852 -0.001528 -0.001271 9C 1dx2y2 -0.001558 0.001319 -0.004668 -0.002205 0.002331 -0.004713 9C 1dxy -0.005439 0.008887 0.009985 0.004467 0.011726 0.007078 9C 2dz2 0.032525 -0.005136 0.057927 -0.020471 -0.076649 0.081580 9C 2dxz -0.039103 0.039374 -0.029707 0.018326 0.098701 -0.060056 9C 2dyz 0.029934 0.013845 0.008656 0.000775 0.015662 -0.001222 9C 2dx2y2 -0.001702 -0.017930 -0.057210 0.027678 0.047882 -0.072918 9C 2dxy -0.005549 0.041227 -0.033070 -0.004827 0.081862 -0.059030 9C 1f0 -0.014374 0.020794 0.007711 0.000227 0.030131 0.000082 9C 1f+1 0.006005 -0.014622 -0.002956 -0.002051 -0.027518 0.006231 9C 1f-1 -0.009089 0.007342 -0.003228 0.004696 0.013250 -0.006916 9C 1f+2 0.011806 -0.012942 -0.000195 -0.001814 -0.017886 0.002682 9C 1f-2 0.012843 -0.018793 -0.004801 -0.002737 -0.039096 0.006293 9C 1f+3 0.008002 -0.014173 -0.000119 -0.003962 -0.024555 0.005892 9C 1f-3 -0.004861 0.002494 0.009211 -0.003123 0.000562 0.010820 10H 1s 0.011844 0.011485 -0.007032 -0.000387 -0.011680 -0.000035 10H 2s 0.016855 0.017426 -0.141263 -0.037158 0.047608 0.210448 10H 3s -0.027990 -0.002394 0.004901 -0.012991 -0.043977 -0.037165 10H 1pz 0.001309 0.005642 -0.035929 -0.009888 0.012681 0.050354 10H 1px -0.007110 -0.008818 0.027412 0.005074 -0.000158 -0.033880 10H 1py 0.002697 -0.000614 -0.016827 0.001167 0.005463 0.023647 11H 1s -0.001960 0.007160 0.015961 -0.000136 -0.002952 -0.021712 11H 2s -0.024344 0.001509 -0.036305 0.004752 -0.007575 0.042415 11H 3s -0.006997 -0.012927 -0.024401 -0.048626 -0.001998 0.041511 11H 1pz -0.000594 0.001305 -0.005320 0.002984 -0.002319 0.006567 11H 1px -0.003980 -0.000652 -0.000716 0.005356 -0.001285 -0.000024 11H 1py 0.004151 -0.003183 0.003995 0.002279 -0.001671 -0.005275 12H 1s 0.001954 -0.002088 0.021639 0.009890 -0.001648 -0.026482 12H 2s -0.009206 -0.004112 0.000080 0.001812 -0.022665 -0.019081 12H 3s -0.016360 -0.036712 -0.037271 0.036278 0.004717 0.079526 12H 1pz 0.002507 0.001374 0.002114 -0.000404 -0.005013 -0.005261 12H 1px -0.003090 0.001743 0.006112 -0.000637 -0.004571 -0.011074 12H 1py -0.000363 0.000342 0.006063 0.000129 -0.003969 -0.010701 13H 1s 0.003773 0.001094 -0.009973 -0.002888 0.011236 -0.001578 13H 2s -0.006960 0.034094 -0.125296 -0.170980 -0.066520 -0.058053 13H 3s -0.000727 -0.012123 0.003827 0.037993 0.038594 -0.019152 13H 1pz -0.003497 0.002293 -0.029060 -0.036837 -0.010099 -0.007650 13H 1px -0.001990 -0.006285 0.017630 0.018308 0.001883 0.007510 13H 1py 0.001724 -0.007891 0.026880 0.035309 0.016451 0.012410 14H 1s -0.003299 -0.003758 0.020892 0.020615 0.002878 0.011056 14H 2s -0.020489 -0.017263 0.028179 0.040518 0.033013 0.018207 14H 3s 0.006323 -0.020591 -0.043651 -0.067939 -0.036459 0.027313 14H 1pz -0.004027 0.000165 0.006712 0.007191 0.004163 0.002576 14H 1px -0.003339 -0.001462 0.015306 0.018536 0.009331 0.005108 14H 1py -0.002114 0.001531 -0.003841 -0.007485 -0.009097 -0.001680 15H 1s 0.004429 0.003943 0.012222 0.016366 0.004924 0.002197 15H 2s -0.008167 0.001405 -0.031581 -0.031897 -0.007922 0.006970 15H 3s 0.002895 0.005591 -0.025202 -0.024065 0.003906 -0.041325 15H 1pz -0.000135 -0.002148 0.001514 0.002257 0.003094 -0.001394 15H 1px -0.002425 -0.004420 0.002461 0.002359 0.000067 0.004871 15H 1py 0.004159 0.000517 0.006022 0.006013 -0.000439 -0.003496 16H 1s -0.574478 -0.507204 0.117324 -0.151304 -0.266774 -0.147485 16H 2s -0.862629 -0.787856 0.158084 -0.235105 -0.475134 -0.268914 16H 3s 0.056532 0.062569 -0.068625 0.025410 0.041559 0.022924 16H 1pz -0.575454 -0.515721 0.112900 -0.145378 -0.273984 -0.161548 16H 1px 0.083498 0.078653 -0.015699 0.019150 0.020275 0.006415 16H 1py -0.317232 -0.280739 0.061953 -0.071215 -0.111720 -0.085019 17H 1s -0.551432 -0.487485 0.113616 0.040402 0.352132 -0.093641 17H 2s -0.806433 -0.744136 0.155917 0.071977 0.588876 -0.173536 17H 3s 0.056570 0.059265 -0.074896 -0.006594 -0.055953 0.008909 17H 1pz 0.307782 0.275886 -0.063511 -0.014791 -0.217861 0.055289 17H 1px 0.394218 0.356710 -0.077881 -0.035312 -0.240677 0.080276 17H 1py -0.383976 -0.342768 0.076946 0.010946 0.213978 -0.069724 18H 1s 0.502151 -0.537531 -0.110256 0.061701 -0.302414 -0.203639 18H 2s 0.730051 -0.815287 -0.149752 0.109262 -0.495702 -0.359147 18H 3s -0.050473 0.064442 0.074600 -0.011607 0.050120 0.027262 18H 1pz 0.289318 -0.313958 -0.064006 0.028609 -0.191725 -0.127199 18H 1px 0.358968 -0.393181 -0.075429 0.050992 -0.200715 -0.156568 18H 1py -0.340146 0.367504 0.073260 -0.024122 0.174520 0.132459 19H 1s 0.523974 -0.560190 -0.121262 -0.150304 0.289752 -0.060422 19H 2s 0.786535 -0.870424 -0.164237 -0.230647 0.523050 -0.112454 19H 3s -0.050163 0.067055 0.069341 0.024176 -0.045174 0.010117 19H 1pz -0.517866 0.562225 0.114825 0.141309 -0.299461 0.070044 19H 1px 0.080482 -0.091633 -0.017465 -0.018364 0.022176 -0.001033 19H 1py -0.300457 0.322153 0.066309 0.072377 -0.134509 0.050026 20H 1s -0.004225 0.004423 -0.012090 0.017253 -0.004983 0.000423 20H 2s 0.008335 0.000163 0.031036 -0.033376 0.004165 0.009148 20H 3s -0.002594 0.004966 0.025625 -0.025921 0.009548 -0.040885 20H 1pz 0.000177 0.002085 0.001442 -0.002477 0.002397 0.002255 20H 1px -0.002185 0.004555 0.002448 -0.002454 0.001612 -0.004611 20H 1py 0.004045 -0.000884 0.005867 -0.006062 -0.001793 0.003211 21H 1s 0.003110 -0.003800 -0.020523 0.021540 -0.005777 0.009491 21H 2s 0.019315 -0.018425 -0.025435 0.040261 -0.034885 0.005689 21H 3s -0.007349 -0.020778 0.041351 -0.070555 0.023214 0.037605 21H 1pz -0.004160 0.000082 0.006265 -0.007288 0.004454 -0.001014 21H 1px -0.003253 0.001547 0.014392 -0.018771 0.009661 -0.001552 21H 1py -0.002407 -0.001196 -0.003467 0.007696 -0.008795 -0.001439 22H 1s -0.004390 0.001360 0.009837 -0.002509 -0.010411 -0.004971 22H 2s 0.009872 0.031696 0.121998 -0.177896 0.076222 -0.033023 22H 3s -0.000639 -0.011915 -0.001961 0.038694 -0.029276 -0.030060 22H 1pz -0.003591 -0.001590 -0.028123 0.037990 -0.010769 0.003810 22H 1px -0.001814 0.006156 0.017376 -0.019052 0.003595 -0.006437 22H 1py 0.002483 0.007411 0.026247 -0.036879 0.018426 -0.006407 23H 1s -0.002630 -0.001920 -0.020968 0.010368 0.010628 -0.024849 23H 2s 0.008303 -0.005389 0.002997 -0.000043 0.025208 -0.007291 23H 3s 0.012967 -0.038027 0.037476 0.035655 -0.028521 0.074309 23H 1pz 0.002350 -0.001577 0.001972 0.000687 -0.006265 0.003118 23H 1px -0.003279 -0.001357 0.005619 0.000796 -0.007498 0.008667 23H 1py -0.000311 -0.000273 0.005208 0.000162 -0.006804 0.008068 24H 1s 0.002857 0.006915 -0.016182 0.000170 0.010090 -0.020358 24H 2s 0.025267 -0.000653 0.035868 0.004043 -0.005955 0.042824 24H 3s 0.006975 -0.014552 0.023527 -0.050476 -0.013906 0.041080 24H 1pz -0.000781 -0.001348 -0.005172 -0.002782 -0.000374 -0.006951 24H 1px -0.003943 0.000954 -0.000876 -0.005393 -0.001486 -0.000379 24H 1py 0.004579 0.002768 0.003795 -0.002300 -0.003468 0.004401 25H 1s -0.011017 0.012753 0.006771 -0.000999 0.011449 0.003723 25H 2s -0.015150 0.020395 0.138824 -0.038917 -0.114361 0.187206 25H 3s 0.028174 -0.005964 -0.004218 -0.012585 0.053098 -0.020433 25H 1pz 0.000753 -0.006247 -0.035391 0.010411 0.028510 -0.044420 25H 1px -0.006441 0.009648 0.026959 -0.005676 -0.011184 0.032597 25H 1py 0.002985 0.000320 -0.016528 -0.000969 0.012838 -0.020781 26O 1s 0.001573 0.001458 0.003767 0.001073 -0.000940 -0.004161 26O 2s 0.005196 0.004773 0.012357 0.003339 -0.003548 -0.012976 26O 3s -0.053919 -0.048544 -0.159493 -0.035484 0.033245 0.143734 26O 4s 0.006826 -0.047855 0.196854 0.003713 0.163650 0.015156 26O 5s 0.373146 0.537449 1.278931 0.241808 -0.968219 -1.284857 26O 1pz -0.010644 -0.007455 0.030060 -0.006510 -0.001281 -0.038827 26O 1px 0.041681 0.049772 0.081026 0.018685 -0.056716 -0.090982 26O 1py 0.015957 0.007895 0.046993 0.022000 -0.023912 -0.055491 26O 2pz 0.045431 0.020450 -0.159895 0.019751 0.008962 0.203315 26O 2px -0.119844 -0.165309 -0.347275 -0.050714 0.179016 0.294643 26O 2py -0.044882 -0.021631 -0.220381 -0.088641 0.078878 0.225426 26O 3pz 0.005568 0.082483 -0.193487 0.055312 -0.131872 0.360787 26O 3px -0.073831 -0.120930 -0.595201 -0.068390 0.227632 0.751479 26O 3py -0.002652 0.061547 -0.359944 -0.222218 0.006081 0.479038 26O 1dz2 0.061582 0.010743 0.156996 0.018824 -0.045783 -0.185452 26O 1dxz -0.027792 -0.042850 -0.173081 0.033218 0.072602 0.226400 26O 1dyz -0.054572 -0.103675 -0.090922 -0.000658 0.141307 0.208612 26O 1dx2y2 -0.028701 -0.094507 -0.167035 0.014884 0.103512 0.234777 26O 1dxy -0.104366 -0.067668 -0.292235 -0.172387 0.188105 0.407845 26O 2dz2 -0.073643 -0.039671 -0.195914 -0.035035 0.076499 0.230597 26O 2dxz 0.009896 0.022419 0.275600 -0.044763 -0.058946 -0.338526 26O 2dyz 0.047478 0.087051 0.148061 0.001877 -0.136405 -0.258714 26O 2dx2y2 0.052440 0.145476 0.188863 -0.034240 -0.147482 -0.259619 26O 2dxy 0.118267 0.073697 0.397243 0.217745 -0.217929 -0.514503 26O 1f0 -0.010991 -0.003657 0.089215 -0.021116 0.008809 -0.095796 26O 1f+1 0.044237 0.056656 0.041151 0.016131 -0.065180 -0.068282 26O 1f-1 0.015717 0.021135 0.040612 0.033391 -0.036562 -0.071715 26O 1f+2 0.007811 0.001483 -0.066138 0.018025 -0.002349 0.074872 26O 1f-2 0.003178 0.010307 -0.100390 0.008575 -0.012098 0.103453 26O 1f+3 0.020546 0.070884 -0.018787 -0.054159 -0.048805 -0.008669 26O 1f-3 0.058177 0.047142 0.127282 0.067364 -0.074198 -0.162341 27O 1s 0.000322 0.000855 0.003403 0.004189 0.001905 0.001467 27O 2s 0.001366 0.002734 0.011302 0.013111 0.006564 0.004659 27O 3s -0.023033 -0.039635 -0.148599 -0.150283 -0.069570 -0.052565 27O 4s 0.016517 0.099084 0.180041 0.044185 -0.128690 -0.003982 27O 5s 0.442943 0.171867 1.273714 1.242746 1.174278 0.508170 27O 1pz -0.004878 -0.014081 0.011234 0.011070 -0.005509 0.009940 27O 1px 0.012186 0.007696 0.087068 0.098666 0.078404 0.041696 27O 1py -0.002334 -0.003712 -0.039825 -0.048538 -0.015658 -0.000838 27O 2pz 0.023616 0.060075 -0.068344 -0.078586 0.009682 -0.054232 27O 2px -0.084074 -0.062268 -0.386654 -0.353874 -0.258157 -0.148216 27O 2py 0.022893 0.030837 0.198424 0.234035 0.068914 0.013064 27O 3pz 0.022556 0.082570 -0.042438 -0.096140 0.107997 -0.147473 27O 3px -0.134623 0.001152 -0.657346 -0.810327 -0.380637 -0.267378 27O 3py 0.008454 -0.044549 0.239677 0.418716 0.013520 -0.042087 27O 1dz2 0.048831 0.005510 0.192422 0.273218 0.184143 0.137825 27O 1dxz 0.013439 0.111290 -0.067870 -0.052637 -0.015903 -0.095783 27O 1dyz 0.011765 -0.009705 0.027631 0.088931 0.111380 0.052914 27O 1dx2y2 0.011790 0.040162 -0.250737 -0.300829 -0.179137 -0.117459 27O 1dxy 0.083427 0.012246 0.241833 0.349201 0.217441 0.019787 27O 2dz2 -0.061233 -0.014273 -0.258159 -0.339345 -0.226156 -0.162312 27O 2dxz -0.027129 -0.122934 0.124964 0.098747 -0.002466 0.137454 27O 2dyz -0.009975 0.010644 -0.039417 -0.086997 -0.109238 -0.063860 27O 2dx2y2 0.014929 -0.035131 0.308189 0.366627 0.246449 0.160139 27O 2dxy -0.092354 -0.050270 -0.365421 -0.478954 -0.243735 -0.030205 27O 1f0 -0.017735 -0.021087 0.035700 0.003898 -0.037640 0.033053 27O 1f+1 0.012223 -0.005214 0.096402 0.120111 0.080891 0.061763 27O 1f-1 0.000870 -0.007517 -0.050482 -0.059318 -0.016959 -0.010519 27O 1f+2 0.018111 0.027674 -0.052334 -0.041492 0.023176 -0.048277 27O 1f-2 -0.010985 -0.001401 0.024205 0.014302 -0.011657 0.025026 27O 1f+3 0.017126 -0.034618 0.038452 0.071633 0.102872 0.060318 27O 1f-3 -0.020229 -0.047972 -0.156324 -0.185091 -0.056340 -0.006783 28O 1s -0.000320 0.000786 -0.002443 -0.000322 0.001327 0.004107 28O 2s -0.001362 0.002457 -0.008303 -0.001160 0.004826 0.012857 28O 3s 0.028379 -0.039892 0.109061 0.015302 -0.052699 -0.141654 28O 4s -0.074379 0.135808 -0.069270 0.005865 -0.110823 -0.056280 28O 5s -0.358869 0.097986 -1.236116 -0.251876 0.976621 1.432181 28O 1pz 0.003532 -0.009744 -0.065684 -0.007081 0.035052 0.086789 28O 1px 0.001640 -0.003782 0.047557 0.011347 -0.052771 -0.069423 28O 1py 0.003477 0.000929 -0.025266 -0.018250 0.000753 0.026745 28O 2pz 0.029366 0.003795 0.300706 0.033385 -0.122915 -0.345303 28O 2px -0.063694 0.052950 -0.189268 -0.048204 0.178506 0.196274 28O 2py -0.003534 -0.017705 0.122831 0.081273 -0.007155 -0.137046 28O 3pz 0.071024 0.063321 0.492393 0.037154 -0.067662 -0.788364 28O 3px -0.121484 0.057698 -0.426223 -0.150706 0.273417 0.558802 28O 3py 0.009675 0.013003 0.127021 0.200433 0.058528 -0.222478 28O 1dz2 0.020946 0.096390 0.149333 -0.002634 -0.093427 -0.227783 28O 1dxz 0.001637 -0.057996 -0.307311 -0.019902 0.181798 0.461198 28O 1dyz 0.065198 -0.007886 0.122309 0.093252 -0.145781 -0.246802 28O 1dx2y2 -0.035982 -0.017790 0.098849 0.059878 -0.090029 -0.167849 28O 1dxy -0.021544 -0.003828 -0.102208 -0.120692 0.012965 0.090960 28O 2dz2 -0.009314 -0.077417 -0.231727 0.018775 0.080566 0.317494 28O 2dxz 0.023750 0.043973 0.402873 0.035217 -0.237861 -0.586976 28O 2dyz -0.059348 0.037434 -0.183268 -0.120994 0.143779 0.301869 28O 2dx2y2 0.005433 0.013271 -0.096566 -0.070703 0.141041 0.177872 28O 2dxy 0.019136 -0.023001 0.157414 0.159008 -0.009978 -0.153884 28O 1f0 -0.015527 -0.014779 0.005728 -0.018165 0.055021 0.017514 28O 1f+1 0.015524 -0.008715 -0.145571 0.020006 0.022680 0.185390 28O 1f-1 -0.012408 -0.028309 0.044195 0.011780 0.014223 -0.035483 28O 1f+2 0.019328 0.022288 0.070496 0.018654 -0.096916 -0.138459 28O 1f-2 0.004229 0.040531 -0.094851 -0.065694 0.004948 0.114620 28O 1f+3 0.012623 0.016450 -0.004937 0.012369 -0.057842 -0.022550 28O 1f-3 -0.006736 0.022072 -0.047126 -0.055486 0.001936 0.042768 29O 1s 0.015906 0.013824 -0.003610 0.001646 -0.001256 0.003239 29O 2s 0.055940 0.048929 -0.012654 0.005722 -0.004319 0.011746 29O 3s -0.865316 -0.761422 0.189880 -0.088052 0.065900 -0.189561 29O 4s 2.018830 1.758377 -0.407537 0.206128 -0.153849 0.445568 29O 5s 0.324355 0.411949 -0.235733 0.024833 -0.014285 0.135060 29O 1pz 0.060429 0.053417 -0.009232 0.046466 0.120308 0.022085 29O 1px -0.113281 -0.098109 0.012824 0.002910 0.054416 -0.024298 29O 1py 0.140492 0.128025 -0.036671 0.008716 -0.021365 0.028755 29O 2pz -0.332062 -0.294185 0.053560 -0.246994 -0.694492 -0.134458 29O 2px 0.598656 0.528992 -0.080401 -0.016976 -0.308151 0.121956 29O 2py -0.838447 -0.756894 0.196147 -0.062796 0.126129 -0.187545 29O 3pz -0.084995 -0.055121 -0.018014 -0.041136 -0.190561 -0.057761 29O 3px 0.124139 0.066445 0.042886 0.003955 -0.081671 0.018011 29O 3py -0.152350 -0.145571 -0.016081 -0.032224 0.031758 -0.081474 29O 1dz2 -0.386148 -0.336639 0.075656 -0.062807 -0.112095 -0.108773 29O 1dxz -0.302072 -0.268517 0.057971 -0.009848 0.161104 -0.019906 29O 1dyz -0.022168 -0.017372 0.007737 -0.113668 -0.243487 -0.012910 29O 1dx2y2 0.095750 0.078199 -0.035756 -0.005018 0.039537 0.032388 29O 1dxy 0.193362 0.158244 -0.050776 0.004894 -0.124133 0.069661 29O 2dz2 0.662002 0.582891 -0.126490 0.139520 0.252827 0.184163 29O 2dxz 0.480690 0.426837 -0.088848 -0.019800 -0.322705 0.056295 29O 2dyz 0.074120 0.063071 -0.015555 0.189788 0.507322 0.046588 29O 2dx2y2 -0.129890 -0.106522 0.030040 -0.013992 -0.078320 -0.043325 29O 2dxy -0.420414 -0.363729 0.092741 0.011810 0.258012 -0.106365 29O 1f0 -0.386568 -0.342121 0.075596 -0.040377 0.003346 -0.089339 29O 1f+1 0.146659 0.129905 -0.027383 0.007713 -0.038105 0.028698 29O 1f-1 -0.462509 -0.411812 0.089586 -0.081098 -0.117058 -0.113108 29O 1f+2 0.142003 0.124694 -0.027757 0.038681 0.053216 0.038464 29O 1f-2 -0.296423 -0.265094 0.059351 0.023746 0.234035 -0.041795 29O 1f+3 0.095622 0.084139 -0.018370 -0.005757 -0.071820 0.020929 29O 1f-3 0.110217 0.100259 -0.020027 -0.020658 -0.109822 0.001940 30O 1s -0.001743 0.001882 -0.002837 -0.003423 -0.001408 -0.000388 30O 2s -0.005845 0.006248 -0.009460 -0.010589 -0.004990 -0.001315 30O 3s 0.069516 -0.073913 0.122391 0.111693 0.049464 0.012976 30O 4s -0.070697 0.057865 -0.107616 0.073209 0.176022 0.050855 30O 5s -0.464325 0.510745 -1.198931 -1.075736 -1.125092 -0.308310 30O 1pz -0.013019 0.025331 -0.048206 -0.052439 -0.033066 -0.024007 30O 1px 0.036253 -0.039563 0.040411 0.046838 0.052344 0.003426 30O 1py 0.021199 -0.011129 0.058055 0.066745 0.039205 0.009712 30O 2pz 0.048336 -0.106579 0.215359 0.188359 0.111348 0.094965 30O 2px -0.131998 0.146189 -0.155244 -0.098061 -0.157459 0.004475 30O 2py -0.082396 0.045829 -0.269993 -0.264861 -0.139404 -0.035906 30O 3pz 0.086372 -0.088718 0.358277 0.457789 0.094207 0.265754 30O 3px -0.131893 0.155268 -0.363546 -0.369821 -0.316263 -0.060035 30O 3py -0.100293 -0.016637 -0.429326 -0.631965 -0.116200 -0.037859 30O 1dz2 -0.053247 -0.020059 -0.014769 -0.068819 -0.068862 0.054800 30O 1dxz -0.059606 0.092686 -0.193255 -0.235934 -0.127316 -0.138743 30O 1dyz -0.086466 0.119325 -0.240423 -0.367893 -0.280965 -0.106151 30O 1dx2y2 -0.032304 -0.020783 -0.058638 -0.072300 -0.039835 -0.035703 30O 1dxy 0.084109 0.007396 0.239173 0.292842 0.144432 -0.002512 30O 2dz2 0.065828 0.020468 0.003076 0.058252 0.087973 -0.090116 30O 2dxz 0.080562 -0.140164 0.237321 0.278632 0.169524 0.167637 30O 2dyz 0.102276 -0.131653 0.341751 0.456927 0.308746 0.134110 30O 2dx2y2 0.015420 0.055885 0.130698 0.141047 0.018496 0.043886 30O 2dxy -0.114202 0.015921 -0.311637 -0.373754 -0.193118 0.003755 30O 1f0 -0.037585 0.031822 -0.060518 -0.073170 -0.051764 -0.009722 30O 1f+1 0.011864 0.033213 -0.035693 -0.019251 0.008740 -0.064828 30O 1f-1 0.002311 0.017400 -0.037932 -0.032518 0.003918 -0.037658 30O 1f+2 0.014631 -0.049915 -0.050566 -0.025278 0.047914 0.020130 30O 1f-2 0.047674 -0.059509 0.135373 0.174127 0.094221 0.049943 30O 1f+3 -0.016455 -0.020557 -0.104597 -0.112231 -0.016130 -0.002218 30O 1f-3 0.046126 -0.031423 0.018472 0.049744 0.076120 -0.014940 31O 1s 0.001906 0.001682 0.002746 -0.003510 0.001356 0.000122 31O 2s 0.006385 0.005567 0.009184 -0.010897 0.004838 0.000490 31O 3s -0.075120 -0.064897 -0.119544 0.115484 -0.047806 -0.005367 31O 4s 0.066576 0.043927 0.110131 0.076466 -0.179878 -0.006273 31O 5s 0.521639 0.449565 1.170120 -1.137729 1.130586 0.084958 31O 1pz -0.015583 -0.023691 -0.046987 0.054464 -0.037515 0.011443 31O 1px 0.041246 0.036220 0.039107 -0.048846 0.049287 0.014468 31O 1py 0.022564 0.008893 0.056188 -0.069168 0.038363 0.004041 31O 2pz 0.057428 0.097761 0.211122 -0.196626 0.130479 -0.051383 31O 2px -0.148499 -0.131259 -0.152531 0.105047 -0.145007 -0.058627 31O 2py -0.086588 -0.034424 -0.262517 0.275289 -0.135820 -0.013699 31O 3pz 0.089818 0.072719 0.349753 -0.471801 0.161200 -0.219754 31O 3px -0.145989 -0.133261 -0.353148 0.387552 -0.306837 -0.049106 31O 3py -0.092658 0.036371 -0.413096 0.647487 -0.102767 -0.001925 31O 1dz2 0.054573 -0.024096 0.011614 -0.070602 0.045310 0.074642 31O 1dxz 0.069035 0.086061 0.188287 -0.244031 0.158118 -0.088415 31O 1dyz 0.101552 0.108321 0.230504 -0.382152 0.289175 -0.007874 31O 1dx2y2 0.031885 -0.023924 0.056800 -0.076244 0.047585 -0.020549 31O 1dxy -0.085916 0.014677 -0.230241 0.302337 -0.126756 -0.050944 31O 2dz2 -0.068117 0.025436 0.000290 0.060102 -0.052441 -0.114482 31O 2dxz -0.094380 -0.129757 -0.231598 0.288999 -0.206241 0.101455 31O 2dyz -0.116718 -0.117658 -0.329751 0.474577 -0.321442 0.024553 31O 2dx2y2 -0.009354 0.057560 -0.126962 0.146368 -0.027437 0.035258 31O 2dxy 0.118108 0.004012 0.300412 -0.386374 0.170025 0.068602 31O 1f0 -0.041353 -0.028313 -0.058548 0.075763 -0.049931 -0.008281 31O 1f+1 0.010456 -0.033342 -0.036196 0.020246 -0.012116 0.064047 31O 1f-1 0.002020 -0.016970 -0.037653 0.033443 -0.007428 0.036823 31O 1f+2 0.022006 0.048338 -0.049739 0.025296 0.052981 -0.003446 31O 1f-2 0.053625 0.053489 0.130953 -0.179999 0.100038 -0.015716 31O 1f+3 -0.013212 0.022948 -0.101368 0.115506 -0.012486 -0.003587 31O 1f-3 0.051927 0.026994 0.016655 -0.051994 0.065932 0.039406 32O 1s -0.014524 0.015288 0.003624 0.001333 0.000289 0.003590 32O 2s -0.051046 0.054071 0.012696 0.004600 0.000787 0.012935 32O 3s 0.789177 -0.840966 -0.190440 -0.070263 -0.008321 -0.207377 32O 4s -1.843148 1.944393 0.408897 0.165973 0.018479 0.486277 32O 5s -0.283159 0.440231 0.234827 0.005425 -0.033063 0.140420 32O 1pz 0.051957 -0.055524 -0.009955 -0.049306 0.118693 0.017456 32O 1px -0.104552 0.109736 0.012633 -0.006145 0.043272 0.041016 32O 1py 0.128071 -0.141312 -0.036691 -0.006299 -0.008715 -0.034561 32O 2pz -0.284307 0.304842 0.057116 0.262964 -0.688152 -0.095000 32O 2px 0.552274 -0.591036 -0.079437 0.035686 -0.249346 -0.218327 32O 2py -0.765236 0.836398 0.196411 0.048152 0.046066 0.221134 32O 3pz -0.079168 0.063785 -0.015548 0.046362 -0.196009 -0.007365 32O 3px 0.118069 -0.078703 0.043716 -0.002356 -0.070437 -0.042942 32O 3py -0.137956 0.159455 -0.016169 0.028531 -0.001265 0.087892 32O 1dz2 0.352513 -0.372314 -0.076786 -0.055234 0.123786 -0.074729 32O 1dxz 0.276777 -0.297714 -0.057853 0.003578 -0.152670 -0.073690 32O 1dyz 0.035497 -0.035534 -0.014495 -0.123543 0.233173 0.062366 32O 1dx2y2 -0.086587 0.085962 0.035148 -0.002898 -0.055445 0.016262 32O 1dxy -0.173396 0.171424 0.048719 -0.000931 0.089102 0.104320 32O 2dz2 -0.603488 0.643677 0.129399 0.127469 -0.265347 0.106715 32O 2dxz -0.441215 0.474291 0.087413 -0.043646 0.298261 0.162666 32O 2dyz -0.092840 0.096988 0.027273 0.209451 -0.493078 -0.111826 32O 2dx2y2 0.116894 -0.116276 -0.029782 -0.019057 0.101264 -0.012666 32O 2dxy 0.376482 -0.393994 -0.088746 0.024981 -0.198355 -0.181155 32O 1f0 -0.326889 0.350201 0.070600 0.029312 -0.015099 0.084037 32O 1f+1 0.151147 -0.162127 -0.030856 -0.003959 -0.032977 -0.046238 32O 1f-1 -0.435903 0.469994 0.094282 0.076867 -0.138839 0.078494 32O 1f+2 0.150291 -0.160212 -0.033036 -0.039376 0.059971 -0.025596 32O 1f-2 -0.262079 0.283778 0.055843 -0.038680 0.209846 0.114476 32O 1f+3 0.078333 -0.083199 -0.015866 0.007996 -0.052663 -0.039421 32O 1f-3 0.096457 -0.106310 -0.018321 0.027382 -0.104357 -0.036951 33O 1s 0.000396 0.000730 0.002372 -0.000342 -0.002579 0.003477 33O 2s 0.001615 0.002247 0.008080 -0.001208 -0.008718 0.010676 33O 3s -0.032202 -0.035535 -0.106507 0.015889 0.095568 -0.117767 33O 4s 0.084488 0.119635 0.068856 0.003038 0.125346 -0.018566 33O 5s 0.377914 0.070211 1.214590 -0.246969 -1.396788 1.052490 33O 1pz 0.003980 0.008573 -0.064273 0.007705 0.061687 -0.071747 33O 1px 0.003229 0.004439 0.046352 -0.011200 -0.072885 0.049430 33O 1py 0.002486 -0.001742 -0.024363 0.018852 0.009998 -0.025383 33O 2pz 0.029793 -0.005805 0.294914 -0.035784 -0.229364 0.290205 33O 2px -0.072874 -0.046859 -0.185417 0.046791 0.234080 -0.130090 33O 2py 0.001752 0.019864 0.118688 -0.083839 -0.053629 0.128701 33O 3pz 0.061683 -0.070369 0.482330 -0.044624 -0.318849 0.730201 33O 3px -0.127164 -0.044149 -0.416262 0.150752 0.443155 -0.443945 33O 3py 0.008001 -0.016620 0.120101 -0.205617 -0.023728 0.232313 33O 1dz2 -0.009378 0.098464 -0.146400 -0.003284 0.162418 -0.185973 33O 1dxz -0.005109 -0.053434 0.300905 -0.022445 -0.322472 0.382153 33O 1dyz -0.070745 -0.002995 -0.116915 0.090010 0.221400 -0.187420 33O 1dx2y2 0.033230 -0.023257 -0.094968 0.060752 0.141263 -0.131118 33O 1dxy 0.026295 -0.004315 0.097757 -0.122981 -0.046571 0.083680 33O 2dz2 -0.002127 -0.078246 0.227919 0.016940 -0.178294 0.275919 33O 2dxz -0.021638 0.042403 -0.394569 0.037600 0.416489 -0.483936 33O 2dyz 0.067674 0.033372 0.176555 -0.119525 -0.237832 0.241002 33O 2dx2y2 -0.001747 0.015185 0.092247 -0.069359 -0.193301 0.123732 33O 2dxy -0.027024 -0.023129 -0.151235 0.162823 0.065070 -0.144936 33O 1f0 -0.015831 0.015752 0.006071 0.016284 0.058655 0.000925 33O 1f+1 0.018223 0.006419 -0.143636 -0.017277 0.080640 -0.169995 33O 1f-1 -0.009590 0.030148 0.043468 -0.013778 0.001801 0.039203 33O 1f+2 0.018842 -0.023371 0.068177 -0.017005 -0.137357 0.100452 33O 1f-2 -0.001363 -0.041855 -0.091718 0.067921 0.043735 -0.108323 33O 1f+3 0.012349 -0.017356 -0.005716 -0.010404 -0.062717 0.002381 33O 1f-3 -0.010787 -0.021948 -0.045054 0.056737 0.017544 -0.040551 34O 1s -0.000256 0.000875 -0.003289 0.004365 -0.002120 0.000762 34O 2s -0.001172 0.002840 -0.010944 0.013696 -0.007215 0.002248 34O 3s 0.019670 -0.040727 0.144580 -0.157096 0.076628 -0.026619 34O 4s -0.002722 0.091393 -0.179461 0.044978 0.128609 0.036503 34O 5s -0.442483 0.225977 -1.241090 1.312613 -1.227182 0.094931 34O 1pz -0.003925 0.014414 0.011010 -0.011065 -0.002457 -0.011168 34O 1px 0.013265 -0.010835 0.084245 -0.104157 0.084206 -0.014011 34O 1py -0.002645 0.004731 -0.038274 0.050115 -0.013230 -0.004207 34O 2pz 0.019530 -0.061360 -0.066620 0.079699 -0.005537 0.054394 34O 2px -0.083447 0.073031 -0.376961 0.373373 -0.277897 0.055583 34O 2py 0.022078 -0.035340 0.191345 -0.241179 0.060204 0.009769 34O 3pz 0.016627 -0.083553 -0.041904 0.094416 0.057508 0.175427 34O 3px -0.135554 0.011144 -0.637077 0.839237 -0.416047 0.127756 34O 3py 0.010417 0.046091 0.228209 -0.426276 -0.014869 0.043929 34O 1dz2 -0.051656 0.013923 -0.185158 0.285001 -0.209643 0.070570 34O 1dxz -0.003327 0.112229 0.067358 -0.054569 0.044050 -0.084724 34O 1dyz -0.013747 -0.008858 -0.025329 0.092543 -0.119892 0.014065 34O 1dx2y2 -0.006627 0.035532 0.242439 -0.315110 0.198028 -0.052541 34O 1dxy -0.088701 0.023411 -0.230781 0.362320 -0.200134 -0.052074 34O 2dz2 0.063475 -0.023746 0.249219 -0.354214 0.254543 -0.079945 34O 2dxz 0.018052 -0.124538 -0.123702 0.101650 -0.038442 0.129898 34O 2dyz 0.011413 0.009881 0.037314 -0.090948 0.121403 -0.024899 34O 2dx2y2 -0.021327 -0.028566 -0.298247 0.384499 -0.272680 0.070941 34O 2dxy 0.092601 -0.062741 0.350757 -0.496105 0.223129 0.050930 34O 1f0 -0.017789 0.022175 0.036091 -0.003671 -0.025336 -0.043277 34O 1f+1 0.014163 0.002251 0.093270 -0.125839 0.092317 -0.032217 34O 1f-1 0.001690 0.008099 -0.048815 0.061270 -0.017296 0.004509 34O 1f+2 0.017377 -0.029247 -0.051820 0.041930 0.007971 0.053018 34O 1f-2 -0.012135 0.001896 0.024104 -0.014725 -0.003478 -0.027515 34O 1f+3 0.023336 0.031970 0.036544 -0.076340 0.114813 -0.023545 34O 1f-3 -0.016248 0.051615 -0.150632 0.191120 -0.048484 -0.011767 35O 1s -0.001415 0.001582 -0.003700 0.001097 0.002278 -0.003667 35O 2s -0.004676 0.005172 -0.012153 0.003413 0.007685 -0.011247 35O 3s 0.048146 -0.051979 0.157404 -0.037405 -0.079173 0.127176 35O 4s -0.006170 -0.051403 -0.198088 0.014860 -0.160675 -0.043869 35O 5s -0.324749 0.559691 -1.260197 0.238250 1.340177 -0.914651 35O 1pz -0.010556 0.008934 0.029768 0.005618 -0.013303 0.036763 35O 1px 0.037025 -0.053298 0.079725 -0.017860 -0.084020 0.068216 35O 1py 0.015633 -0.009131 0.045833 -0.022066 -0.041391 0.045176 35O 2pz 0.046179 -0.027395 -0.157950 -0.015258 0.072499 -0.191822 35O 2px -0.103159 0.172683 -0.343671 0.051576 0.266676 -0.224661 35O 2py -0.044332 0.023670 -0.215793 0.091152 0.150341 -0.190454 35O 3pz 0.001722 -0.084547 -0.191489 -0.046864 -0.009588 -0.389149 35O 3px -0.058921 0.119016 -0.585690 0.075179 0.460569 -0.645009 35O 3py -0.007840 -0.067002 -0.349212 0.230370 0.167051 -0.456877 35O 1dz2 -0.061561 0.016760 -0.154624 0.019652 0.104999 -0.162292 35O 1dxz 0.021002 -0.043923 0.171597 0.031823 -0.140514 0.192803 35O 1dyz 0.045393 -0.107070 0.088733 0.002317 -0.201670 0.152136 35O 1dx2y2 0.016174 -0.095374 0.165181 0.016356 -0.173613 0.189683 35O 1dxy 0.102361 -0.076723 0.282629 -0.171069 -0.316083 0.326550 35O 2dz2 0.070925 -0.045918 0.192845 -0.035702 -0.149163 0.195632 35O 2dxz -0.003206 0.020691 -0.273076 -0.040065 0.162933 -0.304804 35O 2dyz -0.038955 0.089567 -0.145332 0.000618 0.213006 -0.201918 35O 2dx2y2 -0.034664 0.147580 -0.187443 -0.036949 0.222749 -0.199191 35O 2dxy -0.115870 0.082877 -0.385474 0.218061 0.379978 -0.419174 35O 1f0 -0.012973 0.005551 0.088723 0.018486 -0.021486 0.094756 35O 1f+1 0.039598 -0.060528 0.040228 -0.014116 -0.084783 0.043685 35O 1f-1 0.014745 -0.022079 0.038925 -0.032893 -0.059006 0.056337 35O 1f+2 0.009192 -0.003283 -0.065672 -0.016060 0.021147 -0.072546 35O 1f-2 0.004148 -0.011342 -0.099599 -0.005772 0.021369 -0.103230 35O 1f+3 0.012364 -0.072399 -0.017310 0.057081 -0.047682 -0.008132 35O 1f-3 0.054926 -0.051876 0.123647 -0.066826 -0.125146 0.130305 726 727 728 729 730 731 7.05872 7.07815 7.10638 7.11159 7.12674 7.15954 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s -0.000010 -0.000012 -0.000074 0.000015 -0.000014 0.001917 0Rh 2s 0.000148 0.000029 0.000531 -0.000096 0.000256 -0.008633 0Rh 3s 0.000025 -0.000055 -0.000143 0.000033 0.000064 0.006673 0Rh 4s -0.000922 -0.000249 -0.003597 0.000627 -0.001568 0.062235 0Rh 5s 0.002791 0.000692 0.010975 -0.001549 0.004742 -0.178810 0Rh 6s -0.004236 -0.000443 -0.015452 0.001052 -0.007344 0.188342 0Rh 7s 0.009702 -0.003239 0.052097 0.013792 0.007661 0.203149 0Rh 8s 0.002520 0.021164 -0.032136 -0.131275 0.009266 0.234586 0Rh 1pz 0.000445 0.000775 -0.004192 0.004021 -0.000017 0.007208 0Rh 1px 0.000451 0.000254 -0.002946 0.001542 0.000073 -0.018468 0Rh 1py -0.001201 -0.001308 0.002429 0.004754 -0.000819 -0.002813 0Rh 2pz -0.001946 -0.003441 0.017388 -0.016802 0.000070 -0.030839 0Rh 2px -0.001954 -0.001107 0.012318 -0.006558 -0.000321 0.079037 0Rh 2py 0.005165 0.005522 -0.009987 -0.019741 0.003534 0.012016 0Rh 3pz 0.007989 0.014850 -0.053868 0.054210 -0.000222 0.113396 0Rh 3px 0.007683 0.004352 -0.039856 0.023411 0.001317 -0.291110 0Rh 3py -0.019478 -0.018858 0.029264 0.061567 -0.013489 -0.043917 0Rh 4pz -0.015265 -0.026962 0.064397 -0.069055 0.000184 -0.179356 0Rh 4px -0.013375 -0.006789 0.050525 -0.035631 -0.002270 0.462840 0Rh 4py 0.031604 0.026437 -0.031030 -0.074584 0.021797 0.069473 0Rh 5pz 0.021947 0.016342 -0.044079 0.044714 0.000175 0.152026 0Rh 5px 0.013666 0.001717 -0.031183 0.029078 0.001548 -0.402310 0Rh 5py -0.025943 -0.018118 0.019972 0.053145 -0.014265 -0.062237 0Rh 6pz -0.272808 0.085552 0.287999 -0.206017 -0.026836 -0.170463 0Rh 6px -0.101242 0.032939 0.135106 -0.095296 0.002526 0.558308 0Rh 6py 0.117707 0.042617 -0.207466 -0.384124 -0.060173 0.083619 0Rh 1dz2 -0.000559 0.000693 0.002249 -0.001365 -0.009068 -0.002880 0Rh 1dxz -0.003270 0.001792 -0.003268 0.003239 -0.000171 -0.004141 0Rh 1dyz -0.009396 0.006711 -0.000809 -0.000221 -0.024660 -0.000638 0Rh 1dx2y2 -0.002677 0.001665 -0.002018 -0.001067 -0.004053 0.005858 0Rh 1dxy -0.002629 0.001513 0.002182 0.003847 -0.009998 0.001453 0Rh 2dz2 0.000789 0.001370 -0.001842 0.001324 0.007524 0.001558 0Rh 2dxz 0.001731 -0.001272 0.002447 -0.002763 -0.000299 0.002260 0Rh 2dyz 0.006311 0.000100 0.000638 0.001156 0.019906 0.000432 0Rh 2dx2y2 0.001592 -0.000603 0.001730 0.001214 0.003269 -0.003074 0Rh 2dxy 0.002061 0.000794 -0.001709 -0.002509 0.007935 -0.000694 0Rh 3dz2 -0.000719 -0.011633 -0.004300 0.001487 0.015864 0.009778 0Rh 3dxz 0.010966 -0.004273 0.007530 -0.005646 0.002692 0.013947 0Rh 3dyz 0.024516 -0.042170 0.001749 -0.004822 0.046344 0.001705 0Rh 3dx2y2 0.008084 -0.007135 0.003454 0.000248 0.007687 -0.020354 0Rh 3dxy 0.005294 -0.013588 -0.004663 -0.010906 0.019537 -0.005386 0Rh 4dz2 0.004660 0.043087 0.008837 -0.000633 -0.016904 -0.025097 0Rh 4dxz -0.026724 0.007606 -0.018515 0.011019 -0.010129 -0.035769 0Rh 4dyz -0.052220 0.134574 -0.005107 0.020170 -0.059947 -0.003757 0Rh 4dx2y2 -0.018741 0.020480 -0.006568 0.002746 -0.010270 0.052697 0Rh 4dxy -0.008936 0.045775 0.011297 0.030259 -0.027099 0.014046 0Rh 5dz2 -0.012014 -0.165324 -0.030613 -0.003394 -0.050612 0.025282 0Rh 5dxz 0.037001 0.008312 0.072907 -0.045170 0.030488 0.039340 0Rh 5dyz 0.059933 -0.422921 0.034070 -0.081415 -0.093155 -0.000536 0Rh 5dx2y2 0.024104 -0.057430 0.027066 -0.009453 -0.013981 -0.057889 0Rh 5dxy 0.005066 -0.147314 -0.049037 -0.121207 -0.031415 -0.012400 0Rh 1f0 0.001721 -0.003126 -0.005783 -0.009576 0.003806 -0.001543 0Rh 1f+1 0.003933 0.002336 0.008550 -0.007271 -0.007663 0.001881 0Rh 1f-1 0.001065 0.001862 0.002704 -0.019252 0.006734 0.001889 0Rh 1f+2 -0.003879 -0.005474 -0.017776 0.008185 0.005127 0.001960 0Rh 1f-2 -0.005375 0.006603 -0.012915 -0.010275 -0.017856 0.001818 0Rh 1f+3 0.003781 0.000372 0.015229 0.004669 0.002732 0.002644 0Rh 1f-3 0.000391 -0.002341 -0.007870 -0.011702 0.009426 0.002198 1Rh 1s -0.000014 0.000010 0.000071 -0.000011 -0.000012 0.001921 1Rh 2s 0.000175 -0.000027 -0.000523 0.000078 0.000241 -0.008657 1Rh 3s 0.000017 0.000047 0.000129 -0.000018 0.000067 0.006682 1Rh 4s -0.001104 0.000228 0.003523 -0.000494 -0.001468 0.062401 1Rh 5s 0.003341 -0.000627 -0.010714 0.001157 0.004429 -0.179314 1Rh 6s -0.004998 0.000360 0.014912 -0.000584 -0.006877 0.189035 1Rh 7s 0.010765 0.003740 -0.046726 -0.014576 0.006823 0.201558 1Rh 8s 0.000156 -0.019863 0.030603 0.132218 0.012350 0.235354 1Rh 1pz -0.000405 0.000815 -0.004265 0.004126 0.000033 -0.007209 1Rh 1px -0.000456 0.000272 -0.002808 0.001582 -0.000100 0.018440 1Rh 1py 0.001225 -0.001169 0.002424 0.004787 0.001046 0.002886 1Rh 2pz 0.001769 -0.003616 0.017702 -0.017252 -0.000140 0.030846 1Rh 2px 0.001977 -0.001186 0.011731 -0.006730 0.000438 -0.078914 1Rh 2py -0.005274 0.004922 -0.009962 -0.019882 -0.004505 -0.012333 1Rh 3pz -0.007308 0.015519 -0.055036 0.055898 0.000485 -0.113436 1Rh 3px -0.007753 0.004661 -0.037705 0.024052 -0.001751 0.290653 1Rh 3py 0.020009 -0.016604 0.029136 0.062082 0.017032 0.045115 1Rh 4pz 0.014144 -0.028070 0.066267 -0.071742 -0.000605 0.179448 1Rh 4px 0.013429 -0.007347 0.047144 -0.036648 0.002964 -0.462115 1Rh 4py -0.032691 0.022814 -0.030739 -0.075381 -0.027248 -0.071381 1Rh 5pz -0.021151 0.017323 -0.045696 0.046715 0.000147 -0.152116 1Rh 5px -0.013499 0.002395 -0.028249 0.029826 -0.002148 0.401739 1Rh 5py 0.026823 -0.015320 0.019614 0.053741 0.018263 0.063592 1Rh 6pz 0.272931 0.079021 0.291734 -0.210272 0.025842 0.170603 1Rh 6px 0.098200 0.031203 0.129857 -0.096526 -0.000793 -0.557312 1Rh 6py -0.118592 0.034701 -0.202845 -0.382959 0.055555 -0.084303 1Rh 1dz2 -0.000436 -0.000596 -0.002224 0.001372 -0.009082 -0.002903 1Rh 1dxz -0.003248 -0.001745 0.003268 -0.003273 -0.000183 -0.004123 1Rh 1dyz -0.009455 -0.006556 0.000812 0.000261 -0.024682 -0.000653 1Rh 1dx2y2 -0.002612 -0.001533 0.001999 0.001092 -0.004021 0.005872 1Rh 1dxy -0.002676 -0.001557 -0.002127 -0.003863 -0.010044 0.001437 1Rh 2dz2 0.000717 -0.001432 0.001818 -0.001332 0.007528 0.001571 1Rh 2dxz 0.001716 0.001254 -0.002456 0.002789 -0.000288 0.002249 1Rh 2dyz 0.006338 -0.000212 -0.000647 -0.001180 0.019910 0.000435 1Rh 2dx2y2 0.001566 0.000522 -0.001705 -0.001227 0.003240 -0.003086 1Rh 2dxy 0.002085 -0.000765 0.001679 0.002514 0.007967 -0.000684 1Rh 3dz2 -0.001095 0.011358 0.004268 -0.001483 0.015932 0.009856 1Rh 3dxz 0.010906 0.004080 -0.007487 0.005713 0.002710 0.013894 1Rh 3dyz 0.024739 0.041805 -0.001719 0.004705 0.046463 0.001784 1Rh 3dx2y2 0.007820 0.006747 -0.003460 -0.000330 0.007638 -0.020380 1Rh 3dxy 0.005451 0.013709 0.004482 0.010982 0.019657 -0.005340 1Rh 4dz2 0.005531 -0.042463 -0.008797 0.000565 -0.017112 -0.025296 1Rh 4dxz -0.026585 -0.007086 0.018397 -0.011127 -0.010152 -0.035643 1Rh 4dyz -0.052815 -0.133863 0.004959 -0.019920 -0.060292 -0.003999 1Rh 4dx2y2 -0.018036 -0.019577 0.006610 -0.002531 -0.010203 0.052736 1Rh 4dxy -0.009273 -0.046045 -0.010864 -0.030484 -0.027402 0.013937 1Rh 5dz2 -0.012982 0.164469 0.030637 0.003652 -0.050007 0.025619 1Rh 5dxz 0.036739 -0.009169 -0.072881 0.045142 0.030499 0.039148 1Rh 5dyz 0.061257 0.422390 -0.033478 0.081195 -0.092510 0.000209 1Rh 5dx2y2 0.022837 0.056092 -0.026938 0.009022 -0.014093 -0.057715 1Rh 5dxy 0.004854 0.147652 0.048405 0.121700 -0.030449 -0.012274 1Rh 1f0 -0.001668 -0.003059 -0.005832 -0.009581 -0.003686 0.001627 1Rh 1f+1 -0.003907 0.002411 0.008526 -0.007288 0.007694 -0.001879 1Rh 1f-1 -0.000869 0.002017 0.002643 -0.019125 -0.006540 -0.001813 1Rh 1f+2 0.003892 -0.005514 -0.017671 0.008096 -0.005092 -0.001896 1Rh 1f-2 0.005510 0.006579 -0.012963 -0.010315 0.018047 -0.001678 1Rh 1f+3 -0.003819 0.000362 0.015283 0.004680 -0.002812 -0.002742 1Rh 1f-3 -0.000350 -0.002336 -0.007864 -0.011708 -0.009354 -0.002142 2C 1s 0.000464 0.000222 -0.000942 0.002371 0.000377 0.003466 2C 2s 0.000657 0.000162 -0.000428 0.001250 0.000939 0.002879 2C 3s -0.020990 -0.021076 -0.070527 0.179884 -0.063751 0.132297 2C 4s 0.002920 0.080499 0.383886 -0.971074 0.031797 -1.015575 2C 5s -0.162614 0.140664 0.062039 -0.169401 -1.075551 -0.083520 2C 1pz -0.003717 -0.003985 -0.004235 0.016269 -0.004504 0.004233 2C 1px -0.003510 -0.003147 -0.000175 0.007003 -0.003363 0.000868 2C 1py -0.002891 -0.003022 -0.007373 0.008557 -0.003378 0.001838 2C 2pz -0.028359 0.055922 0.230180 -0.614874 0.008576 -0.635130 2C 2px 0.024384 0.075547 0.051450 -0.164561 0.024863 -0.155522 2C 2py -0.008620 0.066289 0.194724 -0.410832 0.032080 -0.419820 2C 3pz -0.043598 0.018699 0.008829 -0.032611 -0.295794 -0.051881 2C 3px 0.022067 0.035240 -0.031020 0.045278 -0.030511 0.080529 2C 3py -0.020266 0.019422 0.020895 -0.028783 -0.189841 -0.056539 2C 1dz2 -0.000125 -0.009334 0.012237 -0.032765 0.010918 -0.026634 2C 1dxz -0.001711 0.026850 0.009058 -0.017245 0.010691 -0.017616 2C 1dyz -0.000799 0.002429 0.015451 -0.039751 0.008494 -0.036715 2C 1dx2y2 0.001410 -0.003541 -0.007970 0.022399 -0.007956 0.018623 2C 1dxy -0.000353 0.017890 0.001714 -0.000672 -0.000110 -0.005893 2C 2dz2 -0.013636 -0.016510 0.033127 -0.140793 -0.009169 -0.145388 2C 2dxz 0.002424 0.067581 -0.010930 -0.003665 -0.038678 -0.026280 2C 2dyz -0.002563 0.022275 0.107693 -0.230168 0.033025 -0.231779 2C 2dx2y2 0.018708 -0.001357 -0.026047 0.013440 0.057463 0.062085 2C 2dxy 0.009736 0.050449 0.010395 -0.034875 0.011608 -0.026464 2C 1f0 -0.002522 -0.031487 -0.001886 -0.022491 -0.003267 -0.018676 2C 1f+1 -0.009054 0.024862 0.003730 -0.017481 -0.020062 -0.037950 2C 1f-1 0.001251 -0.007188 0.012700 -0.032033 0.004172 -0.028386 2C 1f+2 0.004907 0.018503 -0.018417 0.032769 0.007484 0.041135 2C 1f-2 0.001920 0.038235 0.006086 -0.012279 0.005291 -0.016086 2C 1f+3 0.000682 0.021996 -0.003632 0.006528 -0.003303 0.003258 2C 1f-3 -0.006588 -0.008792 0.010417 -0.012113 -0.016681 -0.026970 3C 1s -0.000698 0.000150 -0.002215 -0.000788 -0.000450 0.003458 3C 2s -0.001010 0.000154 -0.001079 -0.000180 -0.001099 0.002853 3C 3s 0.019567 0.009391 -0.183986 -0.073552 0.070657 0.134235 3C 4s 0.009734 -0.096142 0.967650 0.372944 -0.046320 -1.014075 3C 5s 0.222494 0.079683 0.108113 0.064593 1.105073 -0.083487 3C 1pz 0.003725 -0.000195 -0.005314 -0.007804 0.002294 0.000584 3C 1px -0.003145 0.001861 -0.008625 -0.001823 0.003637 0.003412 3C 1py -0.005135 -0.000010 0.018087 0.005480 -0.006294 -0.004602 3C 2pz -0.015301 -0.016180 0.340119 0.176298 -0.032256 -0.342137 3C 2px 0.066093 -0.085733 0.273242 0.085009 -0.025483 -0.271814 3C 2py 0.000378 0.050104 -0.617230 -0.232121 0.012437 0.631102 3C 3pz 0.036519 0.002062 0.047337 0.038245 0.189810 -0.103124 3C 3px 0.017607 -0.008166 -0.024159 -0.024800 0.085970 0.028593 3C 3py -0.041952 -0.018701 -0.004927 -0.000808 -0.292252 0.024048 3C 1dz2 0.001976 0.008042 -0.001883 -0.001146 0.000831 0.002990 3C 1dxz -0.001348 -0.015247 0.018988 0.005885 -0.006457 -0.016038 3C 1dyz -0.002584 -0.009452 -0.031625 -0.012490 0.003972 0.031157 3C 1dx2y2 -0.002526 -0.010968 -0.038048 -0.015942 0.016075 0.030962 3C 1dxy 0.002281 0.023255 -0.026434 -0.009364 0.009226 0.021947 3C 2dz2 0.000788 0.019514 -0.052225 0.011187 0.020158 0.026459 3C 2dxz -0.000095 -0.043252 0.021826 0.016372 0.042427 -0.055119 3C 2dyz 0.001208 -0.004886 -0.220818 -0.110413 0.039341 0.215019 3C 2dx2y2 0.007270 -0.018537 -0.104328 -0.035036 -0.032039 0.126486 3C 2dxy -0.021181 0.066305 -0.097813 -0.019942 -0.004593 0.105060 3C 1f0 0.004477 0.005113 -0.010015 -0.000683 0.009324 0.000078 3C 1f+1 0.009200 0.002783 0.008894 0.009053 0.012441 -0.022247 3C 1f-1 -0.000010 -0.013751 0.004269 -0.010383 -0.004320 0.000190 3C 1f+2 0.003115 -0.026455 -0.030099 -0.018236 0.011946 0.025448 3C 1f-2 -0.004481 0.020817 -0.029231 -0.011932 -0.006997 0.039779 3C 1f+3 0.006595 -0.035341 0.022103 0.002521 0.016537 -0.035828 3C 1f-3 -0.009806 -0.034389 -0.021191 -0.007002 -0.017721 0.034888 4C 1s 0.003780 -0.003825 -0.012482 0.032669 -0.012469 0.029454 4C 2s 0.006706 -0.011341 -0.032395 0.084770 -0.039223 0.070578 4C 3s 0.022754 0.113481 0.232043 -0.601298 0.297032 -0.446006 4C 4s -0.380237 -0.016146 0.437917 -1.198685 0.623810 -1.344545 4C 5s -0.072215 0.011186 0.271528 -0.743471 0.485526 -0.575724 4C 1pz -0.004383 0.060564 0.050047 -0.128571 0.075906 -0.103072 4C 1px -0.027019 -0.120356 0.007871 -0.024684 -0.005978 -0.012679 4C 1py -0.013257 -0.008833 0.031850 -0.089861 0.044122 -0.068195 4C 2pz -0.061438 0.244503 0.500478 -1.367540 0.562848 -1.198028 4C 2px 0.002956 -0.326558 0.112384 -0.223796 0.027653 -0.207800 4C 2py -0.030645 0.028205 0.381222 -0.876137 0.344368 -0.791712 4C 3pz -0.129240 0.115026 0.095880 -0.210385 -0.926203 -0.186915 4C 3px -0.087493 -0.129911 0.051333 0.031628 -0.230736 -0.058130 4C 3py -0.110582 0.032647 0.014682 -0.132785 -0.650551 -0.110541 4C 1dz2 0.022176 0.049490 -0.019107 0.063786 0.008900 0.066807 4C 1dxz 0.017276 -0.099198 -0.045295 0.116897 -0.046352 0.122680 4C 1dyz 0.006346 0.010401 0.012769 -0.039840 0.048496 -0.019773 4C 1dx2y2 -0.037806 0.008096 0.075765 -0.186321 0.051724 -0.182795 4C 1dxy -0.011777 -0.061003 0.034193 -0.094243 0.028950 -0.081458 4C 2dz2 0.058047 0.005431 -0.099079 0.114062 0.226905 0.313815 4C 2dxz 0.123811 0.017176 -0.087806 0.147648 0.168162 0.336823 4C 2dyz 0.030116 0.001453 -0.025844 0.135210 0.178927 0.294145 4C 2dx2y2 -0.136693 -0.016960 0.028004 -0.172177 -0.277378 -0.394083 4C 2dxy 0.006687 -0.009672 -0.002618 -0.010812 -0.064877 -0.045396 4C 1f0 0.004786 0.090375 0.021331 -0.003638 0.019376 -0.022162 4C 1f+1 0.008247 -0.074136 0.028141 -0.038788 0.012647 -0.019106 4C 1f-1 0.002413 0.045762 0.040285 -0.103423 0.065088 -0.068148 4C 1f+2 -0.013268 -0.069768 -0.028633 0.046897 -0.040104 0.042481 4C 1f-2 0.016085 -0.096570 -0.007354 -0.062836 0.017860 -0.018009 4C 1f+3 0.010064 -0.081798 0.022319 -0.021503 0.003248 -0.005776 4C 1f-3 0.003390 -0.007298 -0.022609 -0.024432 0.008474 -0.008860 5C 1s -0.003979 0.003583 -0.032395 -0.011128 0.012312 0.029063 5C 2s -0.007210 0.007400 -0.084994 -0.029842 0.039230 0.069773 5C 3s -0.008196 -0.015430 0.626221 0.233633 -0.305590 -0.445310 5C 4s 0.341495 -0.261001 1.084982 0.318596 -0.586408 -1.313475 5C 5s 0.033708 -0.105332 0.722827 0.269301 -0.511527 -0.566920 5C 1pz 0.023186 -0.042990 0.084903 0.017673 -0.043967 -0.062789 5C 1px -0.040503 0.115693 0.040093 0.045230 -0.022686 -0.036535 5C 1py -0.022036 0.030287 -0.130845 -0.040043 0.069402 0.099177 5C 2pz 0.055612 -0.198757 0.803110 0.253352 -0.327331 -0.703487 5C 2px -0.093029 0.266075 0.419622 0.395207 -0.195424 -0.416710 5C 2py -0.055278 0.200180 -1.347159 -0.439445 0.550149 1.179289 5C 3pz 0.140063 -0.017389 0.105303 -0.033940 0.559042 -0.085901 5C 3px -0.056688 0.113008 0.039193 0.123057 0.388662 -0.068669 5C 3py -0.185109 -0.002316 -0.139109 -0.089700 -0.950077 0.191557 5C 1dz2 -0.012930 -0.016114 -0.107324 -0.048628 0.041751 0.103753 5C 1dxz -0.030730 0.063893 -0.115635 -0.028895 0.027479 0.113825 5C 1dyz -0.004207 0.047361 -0.086980 -0.018256 0.062608 0.061918 5C 1dx2y2 0.031714 0.025880 0.159707 0.061312 -0.029684 -0.167671 5C 1dxy 0.023679 -0.093234 0.046169 -0.007123 0.000599 -0.048029 5C 2dz2 -0.071405 0.014490 -0.025902 0.049182 -0.090124 0.093760 5C 2dxz -0.051832 0.045675 -0.112448 -0.008644 -0.213946 0.290190 5C 2dyz 0.041496 -0.010564 0.075566 0.003187 0.121617 -0.175925 5C 2dx2y2 0.174973 -0.082618 0.158805 0.089228 0.346344 -0.481798 5C 2dxy -0.008845 -0.030490 0.118648 0.039971 0.159396 -0.269352 5C 1f0 -0.000701 -0.029371 -0.059923 -0.031530 0.035160 0.040854 5C 1f+1 -0.002146 0.024976 0.015276 -0.028132 -0.004662 -0.004722 5C 1f-1 0.014258 0.046837 -0.006857 -0.005226 0.008458 0.000940 5C 1f+2 0.032696 0.097481 -0.072877 -0.006097 0.051381 0.034265 5C 1f-2 -0.006637 -0.043510 -0.069210 -0.033523 0.039077 0.045058 5C 1f+3 0.021678 0.101812 0.076031 0.030246 -0.031913 -0.053492 5C 1f-3 0.034049 0.098991 -0.023944 -0.034595 0.026518 0.017343 6C 1s -0.004199 -0.003543 0.032378 0.011084 0.012533 0.029032 6C 2s -0.007832 -0.007349 0.084925 0.029722 0.039717 0.069648 6C 3s -0.001647 0.016330 -0.626327 -0.232788 -0.307718 -0.443552 6C 4s 0.339350 0.254599 -1.081852 -0.317041 -0.597647 -1.315283 6C 5s 0.035771 0.102150 -0.721003 -0.267678 -0.514728 -0.564115 6C 1pz -0.023786 -0.042965 0.084754 0.017669 0.044407 0.062544 6C 1px 0.039941 0.115752 0.040044 0.044650 0.023173 0.036758 6C 1py 0.023078 0.030171 -0.130686 -0.039935 -0.070198 -0.098969 6C 2pz -0.059682 -0.200281 0.803427 0.254276 0.330291 0.701631 6C 2px 0.090326 0.271617 0.417591 0.390279 0.197100 0.416779 6C 2py 0.061739 0.201103 -1.347152 -0.439193 -0.555389 -1.176618 6C 3pz -0.140220 -0.017331 0.107493 -0.029955 -0.559204 0.087213 6C 3px 0.056020 0.116715 0.038542 0.122539 -0.387431 0.070381 6C 3py 0.184444 -0.004410 -0.142060 -0.095144 0.948435 -0.193266 6C 1dz2 -0.013444 0.016311 0.107157 0.048392 0.042699 0.103721 6C 1dxz -0.031691 -0.063590 0.115684 0.028873 0.028697 0.113893 6C 1dyz -0.004658 -0.047492 0.086856 0.018180 0.062848 0.061629 6C 1dx2y2 0.032630 -0.026499 -0.159619 -0.060965 -0.031450 -0.167871 6C 1dxy 0.023808 0.093096 -0.046059 0.007091 0.000019 -0.047861 6C 2dz2 -0.069829 -0.013940 0.026274 -0.049012 -0.089057 0.094262 6C 2dxz -0.052169 -0.043050 0.113615 0.008524 -0.211825 0.291492 6C 2dyz 0.042067 0.010560 -0.077218 -0.003527 0.121159 -0.175993 6C 2dx2y2 0.174322 0.080101 -0.160477 -0.089986 0.343045 -0.482788 6C 2dxy -0.008674 0.029137 -0.119843 -0.039111 0.157254 -0.270082 6C 1f0 0.000840 -0.028704 -0.060083 -0.031859 -0.035337 -0.040724 6C 1f+1 0.002090 0.024259 0.015542 -0.028143 0.004715 0.004741 6C 1f-1 -0.013947 0.046443 -0.006648 -0.004920 -0.008320 -0.000821 6C 1f+2 -0.031984 0.096816 -0.072316 -0.005142 -0.051234 -0.033843 6C 1f-2 0.007297 -0.043046 -0.069373 -0.033655 -0.039235 -0.044921 6C 1f+3 -0.022533 0.100798 0.076600 0.031145 0.032263 0.053451 6C 1f-3 -0.033023 0.098119 -0.023499 -0.033602 -0.026396 -0.016923 7C 1s 0.003988 0.003744 0.012566 -0.032557 -0.012631 0.029459 7C 2s 0.007343 0.011170 0.032600 -0.084480 -0.039571 0.070607 7C 3s 0.015012 -0.113255 -0.233380 0.599894 0.298599 -0.446828 7C 4s -0.372775 0.021932 -0.442223 1.191306 0.632171 -1.342300 7C 5s -0.071351 -0.009401 -0.272666 0.741276 0.488492 -0.577730 7C 1pz 0.005758 0.060500 0.050424 -0.127959 -0.076601 0.103113 7C 1px 0.026537 -0.121491 0.007935 -0.024466 0.006219 0.012322 7C 1py 0.013958 -0.009217 0.032224 -0.089631 -0.044538 0.068269 7C 2pz 0.067567 0.245494 0.500373 -1.360457 -0.565416 1.196780 7C 2px -0.002893 -0.335111 0.113562 -0.225569 -0.024797 0.205284 7C 2py 0.034070 0.026054 0.383677 -0.878434 -0.347724 0.795252 7C 3pz 0.128451 0.114703 0.090962 -0.212268 0.921185 0.184818 7C 3px 0.084999 -0.136738 0.052463 0.029076 0.231129 0.057652 7C 3py 0.109944 0.030836 0.012552 -0.136086 0.650645 0.110780 7C 1dz2 0.022343 -0.049931 0.019292 -0.063720 0.008110 0.066887 7C 1dxz 0.018028 0.098995 0.045741 -0.116594 -0.047411 0.122844 7C 1dyz 0.006009 -0.010626 -0.012944 0.039853 0.048466 -0.019967 7C 1dx2y2 -0.038771 -0.007537 -0.076243 0.185539 0.052875 -0.182673 7C 1dxy -0.011814 0.061720 -0.034197 0.093679 0.029269 -0.081201 7C 2dz2 0.057454 -0.005569 0.098941 -0.112057 0.225036 0.311563 7C 2dxz 0.122115 -0.020613 0.089784 -0.147926 0.166122 0.335865 7C 2dyz 0.030963 -0.001789 0.027415 -0.135789 0.178037 0.295161 7C 2dx2y2 -0.135348 0.018695 -0.029406 0.172799 -0.275288 -0.394911 7C 2dxy 0.007939 0.008809 0.003890 0.009155 -0.064313 -0.044603 7C 1f0 -0.004163 0.088618 0.021901 -0.003856 -0.018652 0.021764 7C 1f+1 -0.007517 -0.072950 0.027524 -0.037300 -0.012719 0.018709 7C 1f-1 -0.001314 0.045633 0.040529 -0.103396 -0.064999 0.068302 7C 1f+2 0.012095 -0.068783 -0.029596 0.048119 0.040278 -0.043117 7C 1f-2 -0.015880 -0.095145 -0.008186 -0.061580 -0.018133 0.017919 7C 1f+3 -0.010563 -0.080900 0.021454 -0.020389 -0.003688 0.005598 7C 1f-3 -0.002586 -0.006781 -0.022473 -0.024378 -0.008762 0.009245 8C 1s -0.000719 -0.000136 0.002223 0.000782 -0.000430 0.003461 8C 2s -0.001026 -0.000139 0.001088 0.000175 -0.001078 0.002861 8C 3s 0.018180 -0.009741 0.184128 0.073627 0.070732 0.133604 8C 4s 0.016529 0.095750 -0.970053 -0.373232 -0.049277 -1.012093 8C 5s 0.222712 -0.080277 -0.112068 -0.070617 1.104126 -0.086995 8C 1pz -0.003661 -0.000144 -0.005309 -0.007832 -0.002256 -0.000574 8C 1px 0.003117 0.002004 -0.008746 -0.001985 -0.003677 -0.003393 8C 1py 0.005016 -0.000121 0.018056 0.005478 0.006192 0.004498 8C 2pz 0.012786 -0.016055 0.340361 0.175945 0.032650 0.341522 8C 2px -0.067169 -0.086704 0.275123 0.086591 0.026970 0.271988 8C 2py 0.003427 0.049785 -0.618715 -0.231633 -0.014949 -0.629774 8C 3pz -0.036303 0.002890 0.047575 0.038807 -0.188447 0.103181 8C 3px -0.017235 -0.008609 -0.024520 -0.024435 -0.085997 -0.030101 8C 3py 0.042270 -0.018978 -0.006244 -0.002607 0.292495 -0.025986 8C 1dz2 0.001940 -0.007970 0.001870 0.001113 0.000807 0.002995 8C 1dxz -0.001158 0.015120 -0.018972 -0.005757 -0.006514 -0.015988 8C 1dyz -0.002795 0.009428 0.031778 0.012562 0.004194 0.031114 8C 1dx2y2 -0.002779 0.010851 0.038064 0.015937 0.016168 0.030885 8C 1dxy 0.002021 -0.023166 0.026390 0.009232 0.009273 0.021861 8C 2dz2 0.000252 -0.019660 0.052835 -0.011075 0.020288 0.026590 8C 2dxz 0.000253 0.042918 -0.021401 -0.016037 0.042802 -0.054643 8C 2dyz -0.000358 0.004993 0.221588 0.110386 0.040987 0.214835 8C 2dx2y2 0.006818 0.018746 0.104709 0.034873 -0.031789 0.126848 8C 2dxy -0.021324 -0.066662 0.097745 0.020169 -0.004586 0.104328 8C 1f0 -0.004467 0.005351 -0.009887 -0.000653 -0.009135 0.000054 8C 1f+1 -0.009267 0.002912 0.008857 0.009075 -0.012295 0.022205 8C 1f-1 0.000015 -0.013785 0.004185 -0.010446 0.004133 -0.000262 8C 1f+2 -0.002869 -0.026410 -0.030056 -0.018252 -0.012047 -0.025326 8C 1f-2 0.004768 0.020617 -0.029472 -0.011927 0.006661 -0.039892 8C 1f+3 -0.006797 -0.034985 0.022130 0.002433 -0.016395 0.035788 8C 1f-3 0.009851 -0.034515 -0.021532 -0.007122 0.017145 -0.035088 9C 1s 0.000484 -0.000228 0.000946 -0.002359 0.000358 0.003460 9C 2s 0.000672 -0.000166 0.000441 -0.001235 0.000916 0.002871 9C 3s -0.019748 0.021283 0.070183 -0.179792 -0.063691 0.132646 9C 4s -0.002768 -0.080248 -0.383590 0.970166 0.033677 -1.016589 9C 5s -0.163962 -0.139871 -0.058611 0.172522 -1.071950 -0.080291 9C 1pz 0.003584 -0.004002 -0.004135 0.016250 0.004410 -0.004228 9C 1px 0.003445 -0.003364 -0.000040 0.006885 0.003470 -0.000867 9C 1py 0.002859 -0.003120 -0.007349 0.008743 0.003348 -0.001929 9C 2pz 0.032222 0.054666 0.230679 -0.613448 -0.010113 0.633841 9C 2px -0.023240 0.077589 0.050515 -0.163223 -0.026647 0.155273 9C 2py 0.011509 0.066173 0.195931 -0.412460 -0.031733 0.422924 9C 3pz 0.043670 0.018117 0.008468 -0.034735 0.294864 0.053019 9C 3px -0.021334 0.036451 -0.031982 0.045882 0.029870 -0.081361 9C 3py 0.020107 0.019459 0.019499 -0.027219 0.189589 0.053408 9C 1dz2 -0.000385 0.009285 -0.012117 0.032368 0.010795 -0.026511 9C 1dxz -0.001993 -0.026628 -0.009219 0.017204 0.010490 -0.017585 9C 1dyz -0.001092 -0.002419 -0.015563 0.039837 0.008757 -0.036830 9C 1dx2y2 0.001574 0.003543 0.008096 -0.022511 -0.008197 0.018766 9C 1dxy -0.000410 -0.017692 -0.001842 0.000879 -0.000053 -0.005912 9C 2dz2 -0.014381 0.017158 -0.033414 0.140798 -0.008579 -0.145396 9C 2dxz 0.001924 -0.067830 0.011687 0.002254 -0.039396 -0.025390 9C 2dyz -0.004053 -0.022313 -0.108006 0.230209 0.033563 -0.232230 9C 2dx2y2 0.018630 0.000715 0.026444 -0.013811 0.058042 0.062104 9C 2dxy 0.009459 -0.051090 -0.010245 0.034854 0.012513 -0.026172 9C 1f0 0.002541 -0.031206 -0.002089 -0.022122 0.003078 0.018518 9C 1f+1 0.009178 0.024351 0.003897 -0.017605 0.019639 0.037890 9C 1f-1 -0.001048 -0.007338 0.012539 -0.031944 -0.004174 0.028343 9C 1f+2 -0.004913 0.018447 -0.018474 0.033072 -0.007026 -0.041388 9C 1f-2 -0.001561 0.038343 0.005996 -0.012103 -0.004974 0.016094 9C 1f+3 -0.000596 0.022363 -0.003574 0.006432 0.003275 -0.003212 9C 1f-3 0.006644 -0.008809 0.010413 -0.011872 0.016673 0.026897 10H 1s 0.001386 0.017634 -0.011028 0.029220 -0.014132 0.020849 10H 2s -0.024789 0.009388 -0.016365 0.048147 -0.035296 0.028957 10H 3s -0.002525 -0.012132 0.010520 -0.013689 0.002600 -0.074002 10H 1pz -0.007977 0.002675 -0.001726 0.005829 -0.010051 0.000361 10H 1px 0.000009 -0.012720 0.005010 -0.014785 -0.003011 -0.018129 10H 1py -0.004979 0.000435 -0.000365 0.005815 -0.009908 -0.001356 11H 1s -0.001094 0.001502 0.003040 -0.012459 -0.000795 -0.010888 11H 2s 0.000253 -0.007211 0.007151 0.001981 0.004875 -0.004299 11H 3s 0.016662 -0.012836 -0.035223 0.079269 0.027646 0.063763 11H 1pz -0.000226 -0.001669 -0.009803 0.021417 -0.013171 0.016059 11H 1px -0.001297 -0.001275 0.002948 -0.008539 0.002174 -0.007600 11H 1py 0.002418 0.000290 -0.009012 0.015132 -0.002560 0.018188 12H 1s 0.001069 -0.003480 -0.002120 -0.001617 -0.004494 -0.000210 12H 2s 0.002103 0.003514 0.012847 -0.016813 0.036385 -0.003459 12H 3s 0.018506 -0.020896 -0.022627 0.058047 0.013274 0.018606 12H 1pz -0.000138 0.002087 -0.003320 0.017110 -0.008468 0.012625 12H 1px 0.000558 0.002283 0.005975 -0.012727 0.011673 -0.005565 12H 1py -0.000214 -0.001126 0.000474 0.004377 0.001420 0.006036 13H 1s -0.004965 -0.014994 -0.025339 -0.012397 0.013663 0.021559 13H 2s -0.030844 -0.002380 -0.044264 -0.005109 0.019924 0.037319 13H 3s 0.008785 -0.026725 0.012025 0.002977 0.001279 -0.068392 13H 1pz -0.006526 -0.004878 -0.013806 -0.001889 0.006956 0.011989 13H 1px 0.008808 0.005154 0.005052 0.001891 0.009377 -0.014912 13H 1py 0.003310 -0.001078 0.002967 -0.001946 -0.007036 0.000205 14H 1s 0.005674 0.007535 -0.004114 -0.004911 0.006964 0.002307 14H 2s 0.007806 0.002152 0.024563 0.015023 -0.033402 -0.003600 14H 3s -0.023438 -0.002233 -0.047472 -0.021398 -0.015112 0.003443 14H 1pz 0.002087 0.003410 -0.010877 -0.002435 0.006090 0.008511 14H 1px 0.003723 0.002994 0.012279 0.005791 -0.012371 -0.002640 14H 1py -0.002601 0.004688 0.009266 0.002041 -0.006317 -0.006091 15H 1s 0.006372 -0.001359 0.014502 0.002416 0.000661 -0.013768 15H 2s -0.006054 -0.001106 -0.006207 0.008861 0.010250 -0.000888 15H 3s -0.028284 0.004258 -0.076677 -0.036412 -0.038480 0.071816 15H 1pz -0.003059 0.001204 -0.019481 -0.010584 0.001863 0.022479 15H 1px 0.001237 0.001763 -0.001211 -0.002132 0.000882 0.002717 15H 1py 0.000175 -0.000662 0.021008 0.009206 -0.017392 -0.014993 16H 1s 0.596990 -0.556325 0.019449 -0.012703 -0.053021 0.071521 16H 2s 0.865672 -0.746440 0.029985 0.032233 -0.167214 0.072348 16H 3s -0.143656 0.126054 -0.024551 0.058178 -0.008876 -0.034165 16H 1pz 0.549375 -0.493611 0.010544 0.017628 -0.080286 0.061371 16H 1px -0.019419 0.019177 0.000576 -0.023339 0.018348 -0.007538 16H 1py 0.232833 -0.210920 0.019262 0.011465 -0.032495 0.031666 17H 1s -0.626015 0.534869 0.032420 0.146741 0.063170 0.062609 17H 2s -0.908207 0.725116 0.031813 0.260697 0.167140 0.058541 17H 3s 0.144274 -0.130490 0.038383 -0.016559 0.003177 -0.036483 17H 1pz 0.378625 -0.316357 -0.020214 -0.088542 -0.046105 -0.033118 17H 1px 0.373066 -0.303741 -0.036279 -0.110122 -0.066411 -0.037384 17H 1py -0.336701 0.268610 0.018078 0.097471 0.050691 0.035569 18H 1s -0.631932 -0.526997 -0.031984 -0.152440 0.062001 0.062574 18H 2s -0.914988 -0.715771 -0.026046 -0.272292 0.161793 0.057812 18H 3s 0.146019 0.128259 -0.038284 0.018813 0.002774 -0.036437 18H 1pz -0.391193 -0.319636 -0.019913 -0.095266 0.045913 0.034287 18H 1px -0.376664 -0.300024 -0.034389 -0.114603 0.064831 0.037409 18H 1py 0.327819 0.254809 0.016203 0.097564 -0.048086 -0.034551 19H 1s 0.604653 0.550689 -0.013633 0.018151 -0.052327 0.071673 19H 2s 0.877584 0.735985 -0.015413 -0.024611 -0.168336 0.072265 19H 3s -0.145119 -0.124828 0.022509 -0.060238 -0.009302 -0.034270 19H 1pz -0.551210 -0.482555 0.003041 0.012378 0.079645 -0.060325 19H 1px 0.024253 0.022876 0.001396 -0.023243 -0.018867 0.008224 19H 1py -0.248308 -0.219880 0.016236 0.009627 0.033868 -0.033358 20H 1s 0.006495 0.001314 -0.014407 -0.002388 0.000596 -0.013645 20H 2s -0.006230 0.001006 0.005397 -0.008901 0.008888 -0.001082 20H 3s -0.028449 -0.004222 0.077043 0.036475 -0.037296 0.071549 20H 1pz 0.003123 0.001106 -0.019545 -0.010553 -0.002217 -0.022369 20H 1px -0.001198 0.001705 -0.000912 -0.002015 -0.000689 -0.002499 20H 1py -0.000409 -0.000705 0.020811 0.009154 0.017095 0.014891 21H 1s 0.005615 -0.007221 0.003743 0.004644 0.006852 0.001960 21H 2s 0.007189 -0.001802 -0.024859 -0.015411 -0.033874 -0.003699 21H 3s -0.023687 0.002078 0.048374 0.022076 -0.015332 0.004685 21H 1pz -0.001883 0.003308 -0.010835 -0.002315 -0.006025 -0.008484 21H 1px -0.003662 0.002769 0.012387 0.005949 0.012413 0.002773 21H 1py 0.002475 0.004607 0.009587 0.002077 0.006322 0.006405 22H 1s -0.005091 0.015087 0.025610 0.012491 0.013958 0.021683 22H 2s -0.031113 0.001862 0.045374 0.006166 0.021329 0.037764 22H 3s 0.008712 0.026306 -0.012467 -0.003271 0.000473 -0.069159 22H 1pz 0.006563 -0.004714 -0.013882 -0.002047 -0.007162 -0.011895 22H 1px -0.008852 0.005269 0.005484 0.002125 -0.009002 0.015286 22H 1py -0.003309 -0.001177 0.003163 -0.001701 0.007191 -0.000172 23H 1s 0.000978 0.002981 0.001886 0.002046 -0.004170 -0.000699 23H 2s 0.001964 -0.003353 -0.012775 0.016542 0.035657 -0.003917 23H 3s 0.018947 0.020655 0.023150 -0.059500 0.013712 0.020358 23H 1pz -0.000045 0.001979 -0.003563 0.017634 0.008579 -0.013242 23H 1px -0.000383 0.002281 0.005988 -0.012533 -0.011429 0.005656 23H 1py 0.000251 -0.000995 0.000508 0.004461 -0.001177 -0.005890 24H 1s -0.001135 -0.001503 -0.003032 0.011947 -0.000789 -0.010522 24H 2s 0.000480 0.007080 -0.007643 -0.000715 0.006494 -0.004610 24H 3s 0.016736 0.012891 0.035152 -0.078617 0.026334 0.062213 24H 1pz 0.000012 -0.001624 -0.009700 0.021050 0.012788 -0.015969 24H 1px 0.001273 -0.001191 0.003196 -0.008938 -0.002763 0.007787 24H 1py -0.002418 0.000444 -0.009003 0.014803 0.002669 -0.017762 25H 1s 0.001518 -0.017692 0.010995 -0.029264 -0.014398 0.021053 25H 2s -0.024817 -0.007790 0.015941 -0.048295 -0.036829 0.029424 25H 3s -0.001693 0.012088 -0.010754 0.014160 0.002793 -0.075008 25H 1pz 0.008050 0.002401 -0.001610 0.005950 0.010388 -0.000538 25H 1px -0.000046 -0.012493 0.004912 -0.014862 0.002619 0.018301 25H 1py 0.004942 0.000003 -0.000115 0.005292 0.009839 0.001724 26O 1s 0.000822 0.000586 -0.003327 0.009045 -0.003473 0.007153 26O 2s 0.002917 0.002485 -0.010259 0.027821 -0.009815 0.022456 26O 3s -0.041830 -0.029089 0.116013 -0.313069 0.090302 -0.267556 26O 4s 0.099857 -0.058474 -0.152119 0.422068 0.019553 0.443539 26O 5s 0.177911 0.606067 -0.466661 1.087643 -0.032731 1.201534 26O 1pz 0.017873 -0.009847 -0.000152 -0.015912 0.037261 0.027565 26O 1px 0.013039 0.026626 -0.066761 0.168306 -0.079685 0.124560 26O 1py 0.018545 0.000630 -0.015597 0.056046 -0.007526 0.062954 26O 2pz -0.069540 0.050809 0.012905 0.057518 -0.152121 -0.123600 26O 2px -0.074576 -0.108406 0.229460 -0.557271 0.177566 -0.483141 26O 2py -0.080139 0.000513 0.043578 -0.189704 -0.026453 -0.253345 26O 3pz -0.050074 0.100052 0.006447 -0.074437 0.044563 -0.076151 26O 3px -0.069024 -0.112655 0.250668 -0.649557 0.199458 -0.683865 26O 3py -0.097564 0.010372 0.155353 -0.263890 0.103876 -0.298750 26O 1dz2 0.009598 -0.004438 -0.075009 0.267691 -0.170245 0.174997 26O 1dxz -0.071584 -0.073561 0.003205 0.049580 -0.178042 -0.101654 26O 1dyz -0.029850 -0.104848 -0.006389 -0.004176 -0.103840 -0.067838 26O 1dx2y2 0.008411 -0.018254 0.161050 -0.356416 0.276970 -0.210043 26O 1dxy -0.074034 -0.094194 0.101846 -0.288861 0.081648 -0.264349 26O 2dz2 -0.025677 -0.021466 0.105813 -0.346127 0.193111 -0.251909 26O 2dxz 0.089651 0.028803 -0.018726 -0.054753 0.218470 0.153115 26O 2dyz 0.036936 0.087634 -0.004147 0.011801 0.114781 0.093377 26O 2dx2y2 -0.001196 0.069045 -0.210618 0.461900 -0.326344 0.295248 26O 2dxy 0.103473 0.101946 -0.130206 0.390445 -0.092666 0.379526 26O 1f0 0.023098 -0.034204 -0.016264 0.001975 0.041680 0.051318 26O 1f+1 0.006984 0.058907 -0.038993 0.121848 -0.063444 0.082252 26O 1f-1 0.013102 0.026569 -0.009056 0.044735 0.008416 0.039338 26O 1f+2 -0.021143 0.012269 0.005629 0.022915 -0.061551 -0.031144 26O 1f-2 -0.021631 0.052403 0.023521 -0.035105 -0.012086 -0.067878 26O 1f+3 -0.018787 0.054796 -0.048593 0.084650 -0.078702 0.031558 26O 1f-3 0.029145 0.030628 -0.066424 0.185592 -0.075326 0.152101 27O 1s -0.000132 -0.000852 -0.008941 -0.003683 0.003849 0.007132 27O 2s -0.001102 -0.002787 -0.027317 -0.011371 0.010952 0.022453 27O 3s 0.026760 0.020267 0.304486 0.128767 -0.103576 -0.268237 27O 4s -0.135800 0.121586 -0.411257 -0.151375 0.002321 0.454493 27O 5s -0.111362 -0.466260 -0.984327 -0.621671 0.059568 1.191524 27O 1pz -0.006647 0.018110 0.029309 0.020691 -0.034824 -0.001552 27O 1px -0.005763 -0.030202 -0.172220 -0.072728 0.083326 0.138005 27O 1py 0.007978 -0.014977 0.001909 0.005758 0.027152 -0.039300 27O 2pz 0.011954 -0.071429 -0.095374 -0.079478 0.124637 -0.000030 27O 2px 0.076433 0.070288 0.556267 0.247082 -0.180613 -0.537404 27O 2py -0.030590 0.081119 0.003085 -0.031754 -0.130490 0.162048 27O 3pz -0.020405 -0.075823 -0.032258 0.025335 -0.000455 0.038785 27O 3px -0.006911 0.041956 0.667846 0.373201 -0.251805 -0.730665 27O 3py 0.046887 0.094689 -0.186839 -0.046247 0.092738 0.151560 27O 1dz2 0.021247 -0.077776 -0.233552 -0.136020 0.119723 0.197648 27O 1dxz 0.029611 0.005761 -0.141855 -0.075446 0.198353 0.016433 27O 1dyz 0.010964 -0.064100 0.008410 0.002167 -0.042717 0.009912 27O 1dx2y2 -0.051415 0.074129 0.452532 0.173722 -0.320929 -0.294246 27O 1dxy -0.009228 -0.078053 -0.044497 -0.051810 -0.125060 0.171254 27O 2dz2 -0.010107 0.084924 0.311619 0.171086 -0.143380 -0.282179 27O 2dxz -0.019608 0.037625 0.169252 0.101328 -0.239928 -0.023586 27O 2dyz -0.013958 0.065465 -0.003341 -0.000866 0.039218 -0.007894 27O 2dx2y2 0.025761 -0.109984 -0.579385 -0.229861 0.374579 0.421867 27O 2dxy 0.006054 0.025571 0.072624 0.083089 0.154201 -0.242557 27O 1f0 -0.005049 0.046513 0.029059 0.028310 -0.036976 -0.003690 27O 1f+1 -0.000953 -0.026359 -0.146615 -0.065164 0.070289 0.121109 27O 1f-1 -0.000794 -0.016691 0.025861 0.013606 0.007509 -0.034041 27O 1f+2 0.004062 -0.043342 -0.057947 -0.036659 0.088135 0.013394 27O 1f-2 0.006844 0.025134 -0.034899 -0.004086 0.025649 0.015084 27O 1f+3 -0.001139 -0.090984 -0.155214 -0.058844 0.100284 0.103763 27O 1f-3 0.005279 -0.047719 0.072277 0.044014 0.027502 -0.111199 28O 1s 0.000505 -0.002840 -0.003496 0.009243 -0.004286 0.007387 28O 2s 0.002191 -0.009033 -0.010836 0.028466 -0.012584 0.023368 28O 3s -0.040856 0.092898 0.124007 -0.327254 0.127128 -0.282665 28O 4s 0.151762 0.013586 -0.190644 0.505296 -0.063305 0.502790 28O 5s 0.223671 -0.743405 -0.383382 1.102160 -0.145409 1.252453 28O 1pz 0.016768 -0.022512 -0.038253 0.088421 -0.022428 0.099882 28O 1px -0.001392 0.072353 0.058944 -0.155464 0.098043 -0.109389 28O 1py 0.006342 0.011174 0.008528 -0.001306 0.021855 0.019755 28O 2pz -0.101031 0.043545 0.135443 -0.306429 0.001523 -0.403869 28O 2px 0.057923 -0.233937 -0.196380 0.536405 -0.277981 0.432960 28O 2py -0.028818 -0.056222 -0.042321 -0.003710 -0.097135 -0.082714 28O 3pz -0.060391 0.056240 0.168742 -0.615315 0.237593 -0.509249 28O 3px 0.063686 -0.205752 -0.213523 0.573407 -0.216333 0.602840 28O 3py 0.025927 -0.057141 0.080541 -0.131744 0.064942 -0.084109 28O 1dz2 -0.030529 0.054083 0.005123 0.073408 -0.171378 -0.068172 28O 1dxz 0.000993 -0.191688 -0.150467 0.419246 -0.237775 0.346355 28O 1dyz -0.016201 0.083533 -0.027867 0.013508 -0.109239 -0.069873 28O 1dx2y2 0.045758 0.128058 0.142043 -0.333196 0.296344 -0.188765 28O 1dxy 0.010051 0.001166 0.011546 0.006650 0.056239 0.059896 28O 2dz2 0.040718 -0.010042 -0.012427 -0.064489 0.210590 0.097392 28O 2dxz -0.034858 0.229685 0.207152 -0.560840 0.281515 -0.498747 28O 2dyz 0.018644 -0.063762 0.032467 0.009510 0.122789 0.094693 28O 2dx2y2 -0.029814 -0.196564 -0.175627 0.428718 -0.364884 0.270667 28O 2dxy -0.015322 -0.030843 -0.023697 -0.025769 -0.079243 -0.088805 28O 1f0 -0.006077 -0.077910 -0.022890 0.075020 -0.077407 0.047667 28O 1f+1 0.027928 0.012721 -0.045154 0.092833 0.020168 0.114118 28O 1f-1 -0.003215 -0.027545 0.011961 -0.056041 0.026151 -0.038425 28O 1f+2 -0.005778 0.107129 0.067310 -0.167703 0.104025 -0.133761 28O 1f-2 0.009699 0.031023 0.002840 0.051029 0.031462 0.054668 28O 1f+3 0.009575 0.083891 0.044853 -0.102099 0.105796 -0.061467 28O 1f-3 0.008397 0.017172 0.012214 0.008018 0.028080 0.026627 29O 1s 0.000462 0.000312 -0.000657 -0.001792 -0.000175 -0.002020 29O 2s 0.001542 0.001097 -0.002380 -0.006647 -0.000547 -0.007140 29O 3s -0.023490 -0.016798 0.038748 0.112837 0.007486 0.107556 29O 4s 0.055398 0.040947 -0.093117 -0.276501 -0.017662 -0.231687 29O 5s 0.003603 -0.007223 -0.014776 -0.071722 0.008759 -0.169302 29O 1pz -0.241488 0.216920 0.003370 0.022889 0.024576 -0.006096 29O 1px -0.091891 0.077428 0.005717 0.023377 0.010388 0.006695 29O 1py 0.025288 -0.016225 -0.010715 -0.026826 -0.003339 -0.019499 29O 2pz 1.325907 -1.166426 -0.017359 -0.120088 -0.168412 0.030710 29O 2px 0.505598 -0.417531 -0.034157 -0.138389 -0.067350 -0.027154 29O 2py -0.143152 0.089224 0.053695 0.152270 0.020726 0.104996 29O 3pz 0.262805 -0.196749 0.004934 -0.010786 -0.089905 -0.005325 29O 3px 0.105526 -0.066293 -0.010076 -0.057843 -0.032559 0.014115 29O 3py -0.032874 0.020239 -0.006334 0.039515 0.007991 -0.019989 29O 1dz2 0.279866 -0.261394 0.018557 0.010947 -0.018229 0.050306 29O 1dxz -0.272665 0.214299 0.011881 0.068714 0.023043 0.046830 29O 1dyz 0.489236 -0.450548 0.003044 -0.070721 -0.049915 0.013440 29O 1dx2y2 -0.073608 0.056169 -0.003450 -0.001532 0.007154 -0.055393 29O 1dxy 0.226723 -0.197146 -0.009935 -0.054237 -0.021215 -0.037730 29O 2dz2 -0.567312 0.522963 -0.030394 -0.015621 0.058168 -0.079020 29O 2dxz 0.551102 -0.449446 -0.022001 -0.138906 -0.061365 -0.060551 29O 2dyz -0.969772 0.865449 0.007739 0.125123 0.122223 -0.020135 29O 2dx2y2 0.150983 -0.126527 0.006707 -0.000877 -0.016828 0.050791 29O 2dxy -0.445540 0.377862 0.022977 0.111986 0.054274 0.058984 29O 1f0 0.025317 -0.031015 0.017630 0.041710 -0.004665 0.034850 29O 1f+1 0.045784 -0.032341 -0.008194 -0.021160 -0.013596 -0.009592 29O 1f-1 0.268096 -0.248227 0.016850 0.022063 -0.026391 0.048307 29O 1f+2 -0.117427 0.110990 0.000605 -0.003080 0.015211 -0.009135 29O 1f-2 -0.395958 0.325098 0.015094 0.087210 0.044067 0.030965 29O 1f+3 0.120983 -0.101164 -0.006045 -0.027485 -0.015718 -0.002801 29O 1f-3 0.189364 -0.156564 -0.005159 -0.035745 -0.020340 -0.005123 30O 1s -0.001041 0.002503 -0.009068 -0.002778 0.003978 0.007184 30O 2s -0.003516 0.008431 -0.027995 -0.008281 0.011524 0.022630 30O 3s 0.046946 -0.097887 0.317313 0.089271 -0.112460 -0.271903 30O 4s -0.078377 0.055684 -0.444460 -0.143353 0.033007 0.467270 30O 5s -0.287468 0.777419 -1.125517 -0.087190 0.071928 1.221135 30O 1pz -0.020055 0.023100 -0.079595 -0.013342 0.024296 0.074272 30O 1px 0.001986 -0.056736 0.153281 0.046749 -0.096372 -0.092334 30O 1py 0.030198 -0.017994 0.066559 0.020104 -0.004212 -0.082551 30O 2pz 0.091007 -0.077291 0.269739 0.017821 -0.023139 -0.298707 30O 2px -0.017948 0.219038 -0.511830 -0.144256 0.272928 0.356677 30O 2py -0.130390 0.060119 -0.220326 -0.058835 -0.057817 0.336724 30O 3pz 0.104551 -0.068139 0.383177 0.134669 -0.163008 -0.389893 30O 3px -0.067668 0.228538 -0.503987 -0.072449 0.167467 0.533375 30O 3py -0.171814 0.031341 -0.460680 -0.084359 0.180473 0.418388 30O 1dz2 0.016647 0.050330 -0.116349 -0.068712 0.111850 0.051659 30O 1dxz -0.034632 0.095713 -0.336900 -0.100092 0.223485 0.229606 30O 1dyz -0.110295 0.166547 -0.160615 0.012960 -0.040807 0.212446 30O 1dx2y2 -0.069478 0.028532 0.255948 0.092796 -0.320206 -0.041472 30O 1dxy 0.072880 -0.090318 0.316644 0.095553 -0.162759 -0.250783 30O 2dz2 -0.022312 -0.083896 0.145103 0.089442 -0.140380 -0.067916 30O 2dxz 0.054229 -0.143879 0.441537 0.109192 -0.263510 -0.328325 30O 2dyz 0.146012 -0.171624 0.234174 -0.006768 0.045449 -0.304079 30O 2dx2y2 0.096762 0.040871 -0.304235 -0.108873 0.391656 0.049051 30O 2dxy -0.105331 0.128022 -0.412644 -0.123509 0.181039 0.362996 30O 1f0 -0.014082 0.040668 -0.136321 -0.043954 0.087610 0.097931 30O 1f+1 -0.018947 -0.015827 0.001088 0.022271 -0.029624 0.020087 30O 1f-1 -0.015741 -0.019739 -0.026258 0.007376 -0.004705 0.028022 30O 1f+2 -0.029266 -0.082966 0.050174 0.008793 -0.072541 -0.002732 30O 1f-2 0.051969 -0.052525 0.168303 0.033755 -0.042437 -0.150755 30O 1f+3 -0.052237 -0.025965 0.005564 0.000870 -0.084747 0.053495 30O 1f-3 -0.000715 -0.088485 0.108299 0.031859 -0.080894 -0.070486 31O 1s -0.001093 -0.002509 0.009057 0.002777 0.004030 0.007171 31O 2s -0.003675 -0.008440 0.027962 0.008274 0.011696 0.022593 31O 3s 0.048471 0.097871 -0.316994 -0.089273 -0.114685 -0.271606 31O 4s -0.079207 -0.054502 0.444264 0.143168 0.037995 0.468009 31O 5s -0.291158 -0.778363 1.127062 0.091539 0.076501 1.218519 31O 1pz 0.020559 0.023030 -0.079649 -0.013309 -0.024876 -0.074220 31O 1px -0.003142 -0.056812 0.152943 0.046510 0.096855 0.091901 31O 1py -0.030632 -0.017709 0.066621 0.020189 0.004986 0.082537 31O 2pz -0.091749 -0.077056 0.270123 0.018141 0.025743 0.298913 31O 2px 0.021018 0.218696 -0.510685 -0.143516 -0.275235 -0.355589 31O 2py 0.131130 0.059143 -0.220893 -0.059712 0.054502 -0.337077 31O 3pz -0.105188 -0.070252 0.385400 0.135912 0.165631 0.389730 31O 3px 0.069158 0.229874 -0.504851 -0.074310 -0.169389 -0.532361 31O 3py 0.172981 0.032155 -0.462258 -0.086634 -0.182574 -0.418328 31O 1dz2 0.014664 -0.050697 0.116086 0.068635 0.111687 0.050944 31O 1dxz -0.037173 -0.096176 0.336825 0.099932 0.224752 0.228728 31O 1dyz -0.110719 -0.166521 0.161033 -0.012232 -0.038880 0.212459 31O 1dx2y2 -0.068080 -0.027080 -0.254911 -0.092216 -0.319490 -0.040144 31O 1dxy 0.075283 0.089897 -0.316198 -0.095673 -0.163994 -0.249994 31O 2dz2 -0.020006 0.083925 -0.144530 -0.089228 -0.140241 -0.066993 31O 2dxz 0.056883 0.144380 -0.441403 -0.109034 -0.265593 -0.327372 31O 2dyz 0.146502 0.171960 -0.234905 0.005504 0.042701 -0.304197 31O 2dx2y2 0.094943 -0.041833 0.302577 0.107581 0.390795 0.047384 31O 2dxy -0.108062 -0.127426 0.412215 0.123941 0.183205 0.362174 31O 1f0 0.015103 0.040712 -0.136121 -0.043910 -0.088171 -0.097578 31O 1f+1 0.018385 -0.015567 0.000695 0.022207 0.029132 -0.020401 31O 1f-1 0.015772 -0.019414 -0.026561 0.007179 0.004376 -0.028156 31O 1f+2 0.028926 -0.082852 0.049634 0.008219 0.072330 0.002314 31O 1f-2 -0.052799 -0.052825 0.168455 0.034070 0.043797 0.150617 31O 1f+3 0.052207 -0.026104 0.004948 0.000208 0.083840 -0.053954 31O 1f-3 -0.000280 -0.088078 0.107776 0.031521 0.081140 0.070094 32O 1s 0.000442 -0.000355 0.000580 0.001790 -0.000178 -0.002024 32O 2s 0.001475 -0.001214 0.002086 0.006650 -0.000535 -0.007154 32O 3s -0.022261 0.018161 -0.033544 -0.113091 0.006839 0.107735 32O 4s 0.052928 -0.043465 0.081379 0.277033 -0.016013 -0.232281 32O 5s -0.000450 0.008447 0.003592 0.074411 0.013268 -0.168028 32O 1pz 0.245163 0.214908 0.005022 0.025736 -0.024354 0.005688 32O 1px 0.091701 0.075396 0.005344 0.024356 -0.010030 -0.006850 32O 1py -0.018969 -0.010417 -0.009827 -0.026267 0.002531 0.019567 32O 2pz -1.346234 -1.155451 -0.026729 -0.136330 0.167137 -0.028274 32O 2px -0.504420 -0.406770 -0.031799 -0.144167 0.064746 0.028015 32O 2py 0.108354 0.058116 0.047484 0.149727 -0.014811 -0.105389 32O 3pz -0.266119 -0.193869 0.003280 -0.014591 0.089503 0.004267 32O 3px -0.105755 -0.065221 -0.010716 -0.059030 0.031355 -0.014221 32O 3py 0.026145 0.016747 -0.010607 0.040246 -0.003709 0.020274 32O 1dz2 0.261921 0.241110 -0.014938 -0.011818 -0.014860 0.050363 32O 1dxz -0.286510 -0.220666 -0.011011 -0.072790 0.023861 0.046858 32O 1dyz 0.502821 0.452360 -0.001276 0.074928 -0.050082 0.014580 32O 1dx2y2 -0.087806 -0.065931 0.002211 -0.000832 0.009282 -0.055344 32O 1dxy 0.218453 0.186407 0.009699 0.054453 -0.019304 -0.037227 32O 2dz2 -0.531770 -0.481551 0.023765 0.016708 0.051710 -0.078911 32O 2dxz 0.578597 0.461918 0.021198 0.147681 -0.062856 -0.060825 32O 2dyz -0.996441 -0.868979 -0.011755 -0.133489 0.122544 -0.022452 32O 2dx2y2 0.179206 0.146406 -0.004338 0.005895 -0.020775 0.050614 32O 2dxy -0.429223 -0.356325 -0.021516 -0.112618 0.050167 0.058141 32O 1f0 -0.011980 -0.018023 0.014280 0.040151 0.003723 -0.032271 32O 1f+1 -0.057062 -0.040223 -0.008315 -0.025632 0.014429 0.011366 32O 1f-1 -0.266311 -0.241400 0.013661 0.022304 0.025851 -0.049829 32O 1f+2 0.118156 0.110010 0.001300 -0.004844 -0.015101 0.011331 32O 1f-2 0.405688 0.326024 0.014649 0.090936 -0.043484 -0.030179 32O 1f+3 -0.105914 -0.086515 -0.005181 -0.025328 0.013618 0.001823 32O 1f-3 -0.194822 -0.157542 -0.005609 -0.037485 0.020575 0.004801 33O 1s 0.000559 0.002846 0.003516 -0.009203 -0.004321 0.007394 33O 2s 0.002346 0.009041 0.010905 -0.028348 -0.012702 0.023388 33O 3s -0.042062 -0.092875 -0.124820 0.325871 0.128657 -0.282854 33O 4s 0.150068 -0.015156 0.192696 -0.503559 -0.066038 0.502818 33O 5s 0.229526 0.745709 0.383375 -1.096479 -0.153963 1.253189 33O 1pz -0.017442 -0.022338 -0.038489 0.087875 0.023129 -0.099765 33O 1px 0.002857 0.072203 0.059308 -0.155229 -0.098526 0.109676 33O 1py -0.006269 0.011013 0.008490 -0.001362 -0.021571 -0.019851 33O 2pz 0.101701 0.043223 0.135955 -0.303868 -0.004788 0.403068 33O 2px -0.061210 -0.232757 -0.197820 0.535621 0.280185 -0.433885 33O 2py 0.028359 -0.055324 -0.042455 -0.003143 0.096005 0.083093 33O 3pz 0.060378 0.061532 0.169079 -0.611019 -0.241166 0.509302 33O 3px -0.064202 -0.208655 -0.214176 0.570133 0.219358 -0.603847 33O 3py -0.025648 -0.055658 0.081459 -0.131153 -0.065628 0.085131 33O 1dz2 -0.030687 -0.053713 -0.005164 -0.074647 -0.170061 -0.067047 33O 1dxz 0.005151 0.192498 0.151310 -0.417187 -0.239576 0.346620 33O 1dyz -0.016070 -0.084814 0.028068 -0.013969 -0.108103 -0.070225 33O 1dx2y2 0.042158 -0.128584 -0.142552 0.332537 0.296863 -0.189581 33O 1dxy 0.010202 -0.000948 -0.010840 -0.007153 0.055433 0.060518 33O 2dz2 0.040470 0.010578 0.011991 0.066813 0.208713 0.095788 33O 2dxz -0.039072 -0.230645 -0.208173 0.557796 0.284384 -0.498936 33O 2dyz 0.018542 0.065643 -0.032849 -0.008544 0.121300 0.095192 33O 2dx2y2 -0.025869 0.196575 0.176644 -0.428187 -0.365770 0.271734 33O 2dxy -0.015362 0.030040 0.023136 0.025953 -0.077983 -0.089675 33O 1f0 0.005049 -0.077371 -0.023498 0.075692 0.077471 -0.048285 33O 1f+1 -0.028341 0.012142 -0.044982 0.091260 -0.018998 -0.113566 33O 1f-1 0.003626 -0.027156 0.011953 -0.055547 -0.026435 0.038523 33O 1f+2 0.007156 0.107064 0.067801 -0.167116 -0.104631 0.133888 33O 1f-2 -0.009870 0.030140 0.002945 0.050576 -0.030527 -0.055063 33O 1f+3 -0.008451 0.083649 0.045325 -0.102250 -0.105888 0.061723 33O 1f-3 -0.008224 0.016875 0.012026 0.008093 -0.027567 -0.026949 34O 1s -0.000181 0.000870 0.008927 0.003654 0.003907 0.007127 34O 2s -0.001245 0.002852 0.027277 0.011285 0.011139 0.022439 34O 3s 0.028012 -0.021329 -0.303987 -0.127766 -0.105854 -0.268177 34O 4s -0.135250 -0.118632 0.410623 0.150013 0.006389 0.454754 34O 5s -0.116848 0.473869 0.983402 0.619443 0.066255 1.192806 34O 1pz 0.006514 0.017839 0.029234 0.020798 0.034845 0.001432 34O 1px 0.007093 -0.030272 -0.172013 -0.072391 -0.084312 -0.137820 34O 1py -0.008028 -0.014549 0.002043 0.005622 -0.026719 0.039485 34O 2pz -0.011637 -0.070298 -0.095143 -0.080006 -0.124676 0.000496 34O 2px -0.079400 0.071980 0.555430 0.245884 0.184715 0.537402 34O 2py 0.030506 0.078843 0.002756 -0.030939 0.128804 -0.162925 34O 3pz 0.020988 -0.073986 -0.033052 0.024493 0.001117 -0.039335 34O 3px 0.005377 0.048081 0.666552 0.369909 0.255373 0.730246 34O 3py -0.046476 0.093126 -0.186308 -0.043751 -0.093760 -0.151171 34O 1dz2 0.019532 0.078734 0.233064 0.134918 0.121197 0.197408 34O 1dxz 0.029287 -0.006671 0.141305 0.075661 0.197615 0.015564 34O 1dyz 0.010716 0.064423 -0.008600 -0.002287 -0.042049 0.010263 34O 1dx2y2 -0.047334 -0.073266 -0.451698 -0.172515 -0.322198 -0.293157 34O 1dxy -0.009742 0.079511 0.045065 0.050868 -0.122482 0.172287 34O 2dz2 -0.008158 -0.086409 -0.310932 -0.169646 -0.145516 -0.282023 34O 2dxz -0.019237 -0.036048 -0.168840 -0.102002 -0.239248 -0.022677 34O 2dyz -0.013643 -0.065861 0.003590 0.001099 0.038551 -0.008228 34O 2dx2y2 0.021409 0.109592 0.578343 0.228458 0.376843 0.420809 34O 2dxy 0.006705 -0.028318 -0.072961 -0.081274 0.150967 -0.243807 34O 1f0 0.005001 0.045978 0.029131 0.028574 0.036999 0.003663 34O 1f+1 0.002137 -0.026701 -0.146374 -0.064676 -0.071214 -0.121035 34O 1f-1 0.000439 -0.016268 0.025773 0.013343 -0.007052 0.034121 34O 1f+2 -0.003737 -0.042448 -0.058013 -0.036976 -0.087959 -0.013160 34O 1f-2 -0.006485 0.024868 -0.034631 -0.003797 -0.025611 -0.014857 34O 1f+3 0.002108 -0.090501 -0.155083 -0.058848 -0.101018 -0.103598 34O 1f-3 -0.005850 -0.046267 0.072201 0.043056 -0.026232 0.111470 35O 1s 0.000868 -0.000625 0.003349 -0.009018 -0.003507 0.007148 35O 2s 0.003049 -0.002610 0.010323 -0.027733 -0.009925 0.022437 35O 3s -0.042877 0.030705 -0.116705 0.312066 0.091638 -0.267238 35O 4s 0.099596 0.056030 0.152934 -0.420111 0.016917 0.442532 35O 5s 0.176618 -0.615971 0.467618 -1.087615 -0.035403 1.199815 35O 1pz -0.017665 -0.009335 -0.000475 -0.015753 -0.037082 -0.027492 35O 1px -0.014063 0.027132 -0.066897 0.167567 0.080156 -0.124444 35O 1py -0.018968 0.001117 -0.015907 0.055989 0.007824 -0.063044 35O 2pz 0.068484 0.048156 0.014384 0.056364 0.151450 0.123251 35O 2px 0.076040 -0.110848 0.229693 -0.554809 -0.179578 0.482198 35O 2py 0.080895 -0.001774 0.044861 -0.189935 0.025441 0.253613 35O 3pz 0.049900 0.096864 0.008871 -0.074250 -0.045072 0.075802 35O 3px 0.068821 -0.118966 0.253667 -0.649887 -0.201000 0.682948 35O 3py 0.097112 0.005784 0.157886 -0.264935 -0.103943 0.298929 35O 1dz2 0.012504 0.004051 0.075560 -0.266417 -0.170367 0.175111 35O 1dxz -0.069925 0.075342 -0.003957 -0.049633 -0.176663 -0.100941 35O 1dyz -0.029343 0.106228 0.005687 0.004701 -0.102922 -0.067537 35O 1dx2y2 0.006531 0.019186 -0.161212 0.354760 0.277343 -0.209581 35O 1dxy -0.075903 0.096809 -0.103433 0.288759 0.082572 -0.264606 35O 2dz2 -0.028452 0.022218 -0.106404 0.344536 0.193566 -0.251922 35O 2dxz 0.087793 -0.032218 0.020327 0.053995 0.216928 0.152237 35O 2dyz 0.036423 -0.089783 0.005328 -0.012767 0.113793 0.093055 35O 2dx2y2 0.000500 -0.070126 0.210444 -0.459338 -0.327195 0.294374 35O 2dxy 0.105461 -0.105733 0.132431 -0.390574 -0.093956 0.379841 35O 1f0 -0.022779 -0.032762 -0.017035 0.002551 -0.041216 -0.051192 35O 1f+1 -0.007462 0.058718 -0.038890 0.121117 0.063938 -0.082243 35O 1f-1 -0.013194 0.026945 -0.009259 0.044897 -0.008114 -0.039424 35O 1f+2 0.020704 0.011175 0.006034 0.022693 0.061247 0.030792 35O 1f-2 0.021969 0.050922 0.024484 -0.035713 0.011759 0.067891 35O 1f+3 0.018771 0.054410 -0.047880 0.083428 0.078842 -0.031057 35O 1f-3 -0.030286 0.031780 -0.067087 0.185233 0.075874 -0.152140 732 733 734 735 736 737 7.16495 7.16817 7.18505 7.22784 7.22980 7.23140 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s 0.000026 0.000189 -0.001173 -0.000067 -0.000429 0.000051 0Rh 2s -0.000816 -0.000812 0.015082 0.001401 -0.005084 -0.000872 0Rh 3s -0.000318 0.000679 0.001647 0.000411 -0.005593 -0.000198 0Rh 4s 0.005039 0.005938 -0.096444 -0.008718 0.027971 0.005540 0Rh 5s -0.016351 -0.017430 0.298927 0.027414 -0.096963 -0.017923 0Rh 6s 0.028303 0.020845 -0.459750 -0.044590 0.202257 0.030969 0Rh 7s -0.061213 -0.050749 0.803336 0.074989 -0.528987 -0.090174 0Rh 8s 0.021105 0.055428 0.166493 0.033125 -0.350239 -0.004852 0Rh 1pz -0.005248 0.031330 0.001666 -0.016050 0.001358 0.013847 0Rh 1px -0.007206 0.009182 0.002604 -0.007293 -0.001363 0.002006 0Rh 1py 0.031677 0.007000 -0.000118 0.015529 -0.002312 0.016964 0Rh 2pz 0.022495 -0.134396 -0.007219 0.069428 -0.005876 -0.059917 0Rh 2px 0.030915 -0.039403 -0.011193 0.031580 0.005997 -0.008649 0Rh 2py -0.135898 -0.030029 0.000526 -0.067197 0.009908 -0.073383 0Rh 3pz -0.083035 0.497745 0.028282 -0.268664 0.022822 0.232187 0Rh 3px -0.114455 0.146264 0.041640 -0.122808 -0.025380 0.032987 0Rh 3py 0.503693 0.111216 -0.002450 0.260457 -0.036448 0.283998 0Rh 4pz 0.128642 -0.774061 -0.048286 0.446407 -0.038898 -0.386618 0Rh 4px 0.177323 -0.228946 -0.063115 0.205472 0.048551 -0.054340 0Rh 4py -0.784694 -0.173090 0.005444 -0.433758 0.055932 -0.472065 0Rh 5pz -0.089019 0.531225 0.040558 -0.334153 0.031855 0.289062 0Rh 5px -0.118156 0.161393 0.029612 -0.155193 -0.040935 0.044933 0Rh 5py 0.541750 0.119162 -0.005525 0.326188 -0.037023 0.353637 0Rh 6pz 0.049842 -0.258313 -0.059072 -0.371510 0.040940 0.361711 0Rh 6px 0.013498 -0.088291 0.311100 -0.154417 -0.259905 -0.025368 0Rh 6py -0.280868 -0.044385 -0.074261 0.347098 0.019738 0.407898 0Rh 1dz2 -0.000166 0.000471 0.004223 0.002975 -0.001613 -0.005275 0Rh 1dxz -0.001438 0.000489 0.006389 -0.002721 -0.008078 0.002926 0Rh 1dyz 0.001732 0.001334 0.001866 -0.001145 0.008550 -0.007258 0Rh 1dx2y2 0.001645 0.000042 -0.008240 -0.003435 0.013214 -0.000339 0Rh 1dxy 0.002597 0.000709 -0.003630 0.003033 0.009357 0.001435 0Rh 2dz2 -0.000071 0.000168 -0.004362 -0.002140 0.001339 0.004809 0Rh 2dxz 0.001028 -0.001555 -0.006033 0.001155 0.006963 -0.001389 0Rh 2dyz -0.000818 -0.001356 -0.001623 -0.000438 -0.007661 0.008423 0Rh 2dx2y2 -0.000572 -0.000198 0.008395 0.002068 -0.011487 0.000471 0Rh 2dxy -0.002982 -0.000840 0.003447 -0.001750 -0.007825 0.000971 0Rh 3dz2 0.001457 -0.003762 -0.002845 -0.007060 0.002857 0.007189 0Rh 3dxz 0.003468 0.005220 -0.007352 0.010821 0.012943 -0.010797 0Rh 3dyz -0.006301 -0.001041 -0.002926 0.009541 -0.012052 0.000166 0Rh 3dx2y2 -0.007110 0.000773 0.006086 0.010318 -0.020628 -0.000407 0Rh 3dxy -0.000311 0.000045 0.004083 -0.009551 -0.016335 -0.014133 0Rh 4dz2 -0.005024 0.011046 -0.010509 0.011910 -0.002641 -0.001105 0Rh 4dxz -0.006799 -0.021095 -0.004198 -0.028533 -0.006785 0.026707 0Rh 4dyz 0.014656 -0.002598 0.002229 -0.031994 0.000126 0.037280 0Rh 4dx2y2 0.018575 -0.002656 0.019119 -0.022343 0.009312 0.003882 0Rh 4dxy -0.009316 -0.003099 0.002618 0.021384 0.013818 0.047737 0Rh 5dz2 0.011612 -0.015380 0.099517 0.016929 -0.020845 -0.094288 0Rh 5dxz 0.006310 0.054226 0.116275 0.049516 -0.128190 -0.034089 0Rh 5dyz -0.015441 0.028279 0.019190 0.096565 0.156555 -0.272186 0Rh 5dx2y2 -0.028697 0.004613 -0.194864 0.013823 0.211218 -0.027068 0Rh 5dxy 0.039734 0.015329 -0.064905 -0.013506 0.122950 -0.141686 0Rh 1f0 0.030162 -0.003275 -0.008609 0.029773 -0.001234 0.016495 0Rh 1f+1 0.002435 0.016640 0.006646 -0.006771 0.000761 0.012712 0Rh 1f-1 0.029331 0.046838 0.003677 -0.003189 -0.000605 0.056024 0Rh 1f+2 0.020392 -0.044974 0.002117 0.048063 -0.001759 -0.020752 0Rh 1f-2 0.039061 0.003508 0.001870 0.030621 -0.001050 0.027378 0Rh 1f+3 -0.026935 0.019600 0.012500 -0.034123 0.001523 -0.001692 0Rh 1f-3 0.018600 0.001785 0.005154 0.015578 -0.000803 0.011339 1Rh 1s -0.000032 -0.000182 -0.001173 -0.000104 0.000426 0.000055 1Rh 2s 0.000848 0.000754 0.015067 0.001046 0.005142 -0.000735 1Rh 3s 0.000302 -0.000672 0.001637 -0.000026 0.005612 -0.000091 1Rh 4s -0.005264 -0.005552 -0.096357 -0.006810 -0.028331 0.004736 1Rh 5s 0.017019 0.016245 0.298636 0.020726 0.098062 -0.015202 1Rh 6s -0.029146 -0.019100 -0.459216 -0.030230 -0.203920 0.025742 1Rh 7s 0.061867 0.046514 0.802437 0.036864 0.528989 -0.076986 1Rh 8s -0.022259 -0.054079 0.166312 0.004555 0.352699 0.000059 1Rh 1pz -0.005295 0.031329 -0.001591 0.015932 0.001839 -0.013499 1Rh 1px -0.007256 0.009166 -0.002600 0.007432 -0.000966 -0.001973 1Rh 1py 0.031660 0.007038 0.000117 -0.015327 -0.004125 -0.016670 1Rh 2pz 0.022699 -0.134393 0.006897 -0.068919 -0.007956 0.058419 1Rh 2px 0.031126 -0.039330 0.011176 -0.032185 0.004275 0.008513 1Rh 2py -0.135827 -0.030189 -0.000521 0.066328 0.017755 0.072117 1Rh 3pz -0.083805 0.497741 -0.027072 0.266696 0.030862 -0.226558 1Rh 3px -0.115243 0.145986 -0.041556 0.125266 -0.018632 -0.032538 1Rh 3py 0.503405 0.111830 0.002426 -0.257200 -0.066845 -0.279254 1Rh 4pz 0.129877 -0.774091 0.046358 -0.443069 -0.052238 0.377666 1Rh 4px 0.178603 -0.228468 0.062932 -0.209951 0.037186 0.053797 1Rh 4py -0.784198 -0.174107 -0.005406 0.428646 0.106509 0.464537 1Rh 5pz -0.089897 0.531385 -0.039137 0.331406 0.041926 -0.282948 1Rh 5px -0.119311 0.160877 -0.029483 0.158979 -0.032555 -0.044721 1Rh 5py 0.541405 0.119986 0.005558 -0.322884 -0.074945 -0.348173 1Rh 6pz 0.050707 -0.259447 0.058351 0.369122 0.047701 -0.356837 1Rh 6px 0.015488 -0.086260 -0.308960 0.170426 -0.248064 0.021223 1Rh 6py -0.282341 -0.046192 0.071922 -0.342947 -0.022932 -0.411784 1Rh 1dz2 0.000219 -0.000494 0.004179 0.002667 0.001563 -0.003390 1Rh 1dxz 0.001467 -0.000508 0.006378 -0.003281 0.008043 0.003026 1Rh 1dyz -0.001579 -0.001294 0.001837 -0.000986 -0.008906 -0.002876 1Rh 1dx2y2 -0.001623 -0.000018 -0.008196 -0.002557 -0.013423 0.000078 1Rh 1dxy -0.002528 -0.000675 -0.003642 0.003524 -0.009069 0.003074 1Rh 2dz2 0.000014 -0.000149 -0.004329 -0.001877 -0.001251 0.003144 1Rh 2dxz -0.001046 0.001577 -0.006020 0.001641 -0.006955 -0.001434 1Rh 2dyz 0.000674 0.001333 -0.001601 -0.000591 0.008004 0.004556 1Rh 2dx2y2 0.000553 0.000172 0.008360 0.001302 0.011625 0.000093 1Rh 2dxy 0.002923 0.000817 0.003455 -0.002159 0.007747 -0.000459 1Rh 3dz2 -0.001477 0.003800 -0.002745 -0.006564 -0.003008 0.004406 1Rh 3dxz -0.003556 -0.005217 -0.007352 0.011692 -0.012766 -0.011190 1Rh 3dyz 0.006118 0.000918 -0.002864 0.009378 0.012449 -0.006344 1Rh 3dx2y2 0.007075 -0.000781 0.005997 0.008968 0.021192 -0.000988 1Rh 3dxy 0.000199 -0.000133 0.004118 -0.010417 0.014965 -0.016665 1Rh 4dz2 0.004840 -0.011088 -0.010698 0.011674 0.003403 -0.000530 1Rh 4dxz 0.007021 0.021173 -0.004133 -0.028844 0.006262 0.027840 1Rh 4dyz -0.014696 0.002887 0.002127 -0.032253 0.000094 0.038832 1Rh 4dx2y2 -0.018548 0.002578 0.019259 -0.021894 -0.010382 0.003904 1Rh 4dxy 0.009411 0.003291 0.002524 0.022162 -0.009999 0.048739 1Rh 5dz2 -0.010318 0.015078 0.099591 0.011868 0.017625 -0.061692 1Rh 5dxz -0.006663 -0.054753 0.115861 0.039728 0.129531 -0.036709 1Rh 5dyz 0.017538 -0.028813 0.019191 0.100444 -0.163830 -0.197197 1Rh 5dx2y2 0.028767 -0.004122 -0.194714 0.029010 -0.211827 -0.019627 1Rh 5dxy -0.039151 -0.015578 -0.064682 -0.007329 -0.130676 -0.115098 1Rh 1f0 0.030161 -0.003251 0.008539 -0.029580 -0.003980 -0.016297 1Rh 1f+1 0.002322 0.016617 -0.006638 0.006742 0.000638 -0.012697 1Rh 1f-1 0.029305 0.046866 -0.003560 0.003294 -0.002850 -0.055096 1Rh 1f+2 0.020479 -0.044958 -0.002274 -0.047891 -0.004144 0.020495 1Rh 1f-2 0.038906 0.003513 -0.001905 -0.030447 -0.004362 -0.027090 1Rh 1f+3 -0.026922 0.019572 -0.012416 0.033922 0.003909 0.001691 1Rh 1f-3 0.018650 0.001852 -0.005155 -0.015489 -0.002382 -0.011057 2C 1s 0.001761 0.003884 -0.002770 -0.000589 -0.000482 0.001006 2C 2s 0.002342 0.005313 -0.004316 -0.000796 -0.000492 0.001387 2C 3s -0.049091 -0.123326 0.145447 0.018876 0.000591 -0.038366 2C 4s -0.030182 -0.024456 -0.219927 0.023188 -0.010621 -0.090622 2C 5s -0.320024 -0.789495 0.764634 -0.015854 0.005901 0.022210 2C 1pz -0.008833 -0.028847 0.027396 -0.000639 0.008878 0.009592 2C 1px -0.003123 -0.004966 0.005490 0.018353 -0.026574 -0.068780 2C 1py -0.013200 -0.016840 0.016628 0.007430 -0.003636 -0.018895 2C 2pz -0.050927 -0.072649 -0.088270 0.089494 -0.098388 -0.307916 2C 2px -0.011990 -0.061103 -0.000258 -0.114370 0.183439 0.438643 2C 2py 0.012577 -0.032623 -0.073241 -0.000408 0.003153 -0.015624 2C 3pz -0.099882 -0.205754 0.183288 -0.005629 0.001925 0.007487 2C 3px 0.044040 0.098129 -0.014988 -0.012221 0.002051 0.018793 2C 3py -0.049553 -0.170946 0.131386 0.001741 -0.000599 -0.003148 2C 1dz2 0.004482 -0.005137 -0.002629 -0.009801 0.019151 0.037962 2C 1dxz 0.000926 0.003130 -0.010674 0.022817 -0.037560 -0.083602 2C 1dyz -0.004746 -0.004150 -0.002987 0.001346 0.002414 0.000044 2C 1dx2y2 0.005809 0.002889 0.003792 -0.001488 0.000191 0.008497 2C 1dxy -0.001757 0.001645 -0.001746 0.014417 -0.027804 -0.061204 2C 2dz2 -0.037756 -0.027669 -0.008461 0.039008 -0.044217 -0.137820 2C 2dxz -0.006120 -0.018066 0.030501 -0.014107 0.014213 0.047837 2C 2dyz 0.000444 -0.033217 -0.045460 -0.003937 0.014434 0.003522 2C 2dx2y2 0.019673 0.072841 -0.052237 -0.054601 0.063570 0.162349 2C 2dxy 0.010613 0.017306 -0.024131 -0.011632 0.028578 0.084114 2C 1f0 -0.011809 -0.019441 0.012615 -0.011879 0.027362 0.049697 2C 1f+1 -0.026125 -0.057931 0.036277 0.015528 -0.013764 -0.049389 2C 1f-1 0.001387 0.004875 -0.010754 -0.001349 0.002601 0.002191 2C 1f+2 0.014431 0.038648 -0.018643 0.004177 -0.019059 -0.025690 2C 1f-2 -0.000242 0.007202 -0.011086 0.012408 -0.022998 -0.045477 2C 1f+3 0.001750 0.000418 0.000993 0.009421 -0.015611 -0.031862 2C 1f-3 -0.020769 -0.051684 0.033861 0.001542 0.010916 0.005785 3C 1s -0.003917 0.001802 -0.002705 0.001166 -0.000410 -0.001593 3C 2s -0.005272 0.002406 -0.004233 0.001015 -0.000221 -0.001698 3C 3s 0.115814 -0.052724 0.145722 0.029634 -0.033087 0.004116 3C 4s 0.058530 -0.008008 -0.232514 -0.130050 0.078051 0.193808 3C 5s 0.770096 -0.352457 0.699474 0.216760 -0.160549 -0.139473 3C 1pz 0.016346 -0.011371 0.014560 -0.023718 0.020375 -0.002150 3C 1px 0.005703 -0.007816 0.009479 0.067920 -0.066477 0.025629 3C 1py -0.028352 0.009081 -0.027664 0.011768 -0.008166 -0.003193 3C 2pz -0.001176 0.027408 -0.079443 0.183125 -0.187082 0.121990 3C 2px 0.077497 0.012599 -0.034162 -0.493204 0.467943 -0.108702 3C 2py -0.113954 0.042092 0.078059 -0.095390 0.124788 -0.182548 3C 3pz 0.234537 -0.083595 0.136558 0.019699 -0.034277 0.001566 3C 3px -0.002570 0.003745 0.029862 0.025536 0.013570 -0.021044 3C 3py -0.156298 0.086599 -0.150436 -0.040987 0.030994 0.037523 3C 1dz2 0.002801 -0.005165 0.001515 -0.030678 0.028114 -0.008497 3C 1dxz -0.000332 -0.005017 -0.004046 0.050954 -0.047828 0.020186 3C 1dyz -0.010422 0.004501 -0.002115 0.044744 -0.039441 0.005427 3C 1dx2y2 -0.007304 -0.003864 0.006061 0.048618 -0.043543 0.006075 3C 1dxy 0.004826 0.000150 0.008371 -0.076548 0.073553 -0.031125 3C 2dz2 0.034570 0.002127 0.035019 0.048938 -0.051164 0.006958 3C 2dxz 0.050086 -0.010921 0.034137 0.076413 -0.075818 0.052838 3C 2dyz -0.042555 0.000509 0.047722 0.008112 0.011216 -0.053109 3C 2dx2y2 -0.045528 0.031633 -0.018649 -0.128725 0.138208 -0.070474 3C 2dxy -0.023838 -0.006967 0.006870 0.141304 -0.146752 0.031219 3C 1f0 0.026895 -0.012372 0.019932 -0.010718 0.006647 0.000211 3C 1f+1 0.040822 -0.015817 0.024181 -0.029044 0.021783 0.003243 3C 1f-1 -0.009654 -0.001777 -0.005420 0.015575 -0.011615 0.002943 3C 1f+2 0.007100 -0.002263 0.015390 0.048257 -0.039711 0.009411 3C 1f-2 -0.032391 0.013721 -0.013383 -0.006183 0.008554 -0.018199 3C 1f+3 0.039575 -0.018413 0.022520 0.051121 -0.048475 0.031374 3C 1f-3 -0.058349 0.022496 -0.034904 0.071646 -0.055013 0.004977 4C 1s 0.009528 0.021076 -0.003092 -0.003835 0.000472 0.010089 4C 2s 0.016571 0.035756 0.002942 -0.007450 0.000737 0.019801 4C 3s 0.033486 0.100672 -0.231233 0.001637 0.007995 -0.016400 4C 4s -0.843367 -1.909876 0.818486 0.324364 -0.059637 -0.776963 4C 5s -0.120470 -0.086641 -0.503416 0.030441 -0.017378 -0.174544 4C 1pz -0.031742 -0.064081 -0.004175 0.024311 -0.027845 -0.078607 4C 1px -0.007028 -0.012654 0.015684 -0.043640 0.096980 0.170635 4C 1py -0.017916 -0.044762 0.002382 -0.001605 0.018746 0.016263 4C 2pz -0.073844 -0.241056 -0.291873 0.149199 -0.224990 -0.494809 4C 2px 0.013516 -0.011837 0.024190 -0.128919 0.469565 0.497549 4C 2py -0.125144 -0.112733 -0.163061 0.040155 0.051214 -0.108631 4C 3pz -0.263756 -0.657863 0.520925 0.017353 -0.072147 -0.137752 4C 3px -0.083905 -0.176533 0.131342 -0.057343 0.169983 0.232163 4C 3py -0.253084 -0.402369 0.343049 -0.017549 0.030898 0.009644 4C 1dz2 0.057692 0.120035 -0.068519 0.011372 -0.067535 -0.086006 4C 1dxz 0.064270 0.126830 -0.031869 -0.069287 0.109629 0.261490 4C 1dyz 0.019826 0.058211 -0.050806 0.003526 -0.006517 -0.000803 4C 1dx2y2 -0.083476 -0.209246 0.074479 0.034096 0.009042 -0.062642 4C 1dxy -0.029945 -0.077385 0.032926 -0.037534 0.083012 0.122323 4C 2dz2 0.179364 0.455073 -0.325779 0.039283 -0.193913 -0.278018 4C 2dxz 0.234608 0.458794 -0.240677 -0.261961 0.362232 0.965999 4C 2dyz 0.100410 0.246960 -0.187051 -0.028454 -0.011558 0.083028 4C 2dx2y2 -0.304515 -0.714393 0.452853 0.108609 -0.003623 -0.219838 4C 2dxy -0.079798 -0.239059 0.176995 -0.147427 0.264441 0.522308 4C 1f0 0.003190 0.036747 -0.034082 0.086484 -0.146696 -0.354686 4C 1f+1 0.001095 0.002871 0.017251 -0.081118 0.148648 0.338265 4C 1f-1 0.024426 0.061333 -0.075067 0.023768 -0.047825 -0.091469 4C 1f+2 -0.003938 -0.059001 0.046585 -0.059091 0.093202 0.242289 4C 1f-2 0.026199 -0.016608 0.009621 -0.107276 0.173723 0.404501 4C 1f+3 -0.015023 -0.011655 0.015824 -0.095325 0.144592 0.350849 4C 1f-3 0.022105 0.001303 0.005322 -0.016673 0.022669 0.065675 5C 1s -0.022228 0.009253 -0.003713 0.002015 0.002271 -0.010168 5C 2s -0.038918 0.015964 0.001072 0.006626 0.002664 -0.021995 5C 3s -0.076284 0.038668 -0.220289 -0.075485 0.046160 0.080933 5C 4s 1.951957 -0.838846 0.862482 -0.012665 -0.273133 0.637047 5C 5s 0.135991 -0.078244 -0.469318 -0.130744 0.006980 0.247029 5C 1pz 0.036241 -0.011590 -0.004756 0.051788 -0.048385 0.034476 5C 1px 0.048107 -0.023676 0.020959 -0.191092 0.146891 -0.039617 5C 1py -0.065086 0.029829 -0.001051 -0.020387 0.028316 -0.038559 5C 2pz 0.108115 -0.080828 -0.155969 0.161277 -0.190886 0.239463 5C 2px 0.188875 -0.126208 -0.040046 -0.639100 0.498100 -0.034497 5C 2py -0.262127 0.023894 0.254786 -0.060970 0.147205 -0.352029 5C 3pz 0.312400 -0.204765 0.244446 0.163882 -0.133669 0.002517 5C 3px 0.291925 -0.163808 0.233829 -0.217647 0.169616 -0.079856 5C 3py -0.666823 0.274584 -0.466359 -0.181106 0.152230 0.012551 5C 1dz2 -0.108712 0.034327 -0.032176 0.087733 -0.061584 -0.013433 5C 1dxz -0.132487 0.053112 -0.046999 -0.102107 0.113669 -0.094847 5C 1dyz 0.015386 -0.001164 0.035229 -0.095216 0.089234 -0.047094 5C 1dx2y2 0.236708 -0.102574 0.100529 -0.150453 0.100968 0.037934 5C 1dxy 0.065941 -0.032883 0.028430 0.217672 -0.202669 0.083189 5C 2dz2 -0.316153 0.118119 -0.183546 0.278424 -0.232341 0.043663 5C 2dxz -0.458017 0.210988 -0.292658 -0.471597 0.492803 -0.294814 5C 2dyz 0.101420 -0.016414 0.082558 -0.390725 0.357700 -0.066511 5C 2dx2y2 0.814328 -0.325813 0.498903 -0.441951 0.330884 0.063857 5C 2dxy 0.273650 -0.145914 0.180170 0.813014 -0.789490 0.343425 5C 1f0 0.010058 -0.004378 0.029162 0.170166 -0.154158 0.056352 5C 1f+1 0.004555 0.024141 0.008433 -0.084288 0.075112 -0.023017 5C 1f-1 0.034475 0.011073 0.017961 -0.189285 0.170679 -0.060233 5C 1f+2 0.074627 -0.031362 0.070069 -0.436507 0.393252 -0.140841 5C 1f-2 0.018124 -0.010465 0.023265 0.177623 -0.160690 0.044907 5C 1f+3 0.011566 0.020839 -0.003158 -0.466518 0.419531 -0.125816 5C 1f-3 0.070120 0.009796 0.033327 -0.419458 0.379118 -0.140553 6C 1s 0.022141 -0.009277 -0.003699 0.002128 -0.002750 -0.010043 6C 2s 0.038664 -0.016055 0.001131 0.006756 -0.003496 -0.021854 6C 3s 0.077414 -0.037503 -0.221450 -0.073223 -0.047578 0.083383 6C 4s -1.943323 0.838055 0.864194 -0.026044 0.312811 0.624261 6C 5s -0.130558 0.079876 -0.472722 -0.129158 -0.003263 0.249186 6C 1pz 0.035830 -0.011660 0.004902 -0.048447 -0.053414 -0.031123 6C 1px 0.048194 -0.023824 -0.021250 0.180840 0.160704 0.029235 6C 1py -0.064601 0.029853 0.000918 0.018339 0.031567 0.036816 6C 2pz 0.104945 -0.082072 0.157655 -0.147975 -0.214467 -0.237681 6C 2px 0.189081 -0.126875 0.038844 0.598494 0.537842 0.032908 6C 2py -0.257324 0.026493 -0.257034 0.052146 0.171050 0.345786 6C 3pz 0.314403 -0.203252 -0.242884 -0.155588 -0.144705 0.003260 6C 3px 0.295418 -0.162191 -0.233717 0.202907 0.185900 0.074459 6C 3py -0.669632 0.270043 0.463307 0.173284 0.164071 -0.022702 6C 1dz2 0.108379 -0.034482 -0.032298 0.083536 0.066011 -0.019142 6C 1dxz 0.132290 -0.053040 -0.046968 -0.094474 -0.125142 -0.085485 6C 1dyz -0.015899 0.001050 0.035421 -0.089304 -0.097604 -0.039275 6C 1dx2y2 -0.236609 0.102601 0.100903 -0.143469 -0.107573 0.047759 6C 1dxy -0.065674 0.032570 0.028165 0.204096 0.220702 0.065766 6C 2dz2 0.316102 -0.117784 -0.183914 0.262591 0.250140 0.016589 6C 2dxz 0.459634 -0.210034 -0.292765 -0.440171 -0.539010 -0.244591 6C 2dyz -0.102552 0.016791 0.082690 -0.368235 -0.385090 -0.028411 6C 2dx2y2 -0.815659 0.325225 0.499599 -0.418958 -0.350776 0.106003 6C 2dxy -0.274559 0.144792 0.179342 0.763106 0.860283 0.260422 6C 1f0 0.010483 -0.004000 -0.029239 -0.160476 -0.167786 -0.037591 6C 1f+1 0.004700 0.024039 -0.008433 0.079580 0.081254 0.014045 6C 1f-1 0.034440 0.010881 -0.018075 0.178363 0.185548 0.041708 6C 1f+2 0.074835 -0.031737 -0.070545 0.411623 0.427589 0.094870 6C 1f-2 0.018192 -0.010087 -0.023295 -0.167197 -0.174107 -0.028913 6C 1f+3 0.011475 0.020184 0.003075 0.440239 0.455452 0.078133 6C 1f-3 0.070029 0.009414 -0.033617 0.394998 0.412244 0.097529 7C 1s -0.009585 -0.021033 -0.003108 -0.003777 -0.000148 0.009828 7C 2s -0.016647 -0.035659 0.002943 -0.007355 -0.000032 0.019573 7C 3s -0.032571 -0.100869 -0.231854 0.002626 -0.010873 -0.026513 7C 4s 0.840913 1.906150 0.820528 0.316364 0.041678 -0.726537 7C 5s 0.119641 0.085998 -0.503258 0.028476 0.007381 -0.174451 7C 1pz -0.031471 -0.063709 0.004323 -0.021725 -0.025408 0.073709 7C 1px -0.007408 -0.012714 -0.016137 0.034978 0.092366 -0.155119 7C 1py -0.017974 -0.044811 -0.002481 -0.000081 0.018490 -0.013218 7C 2pz -0.076128 -0.240065 0.292669 -0.130010 -0.208662 0.477504 7C 2px 0.012722 -0.012079 -0.025862 0.092496 0.454968 -0.474282 7C 2py -0.127274 -0.112940 0.164079 -0.043559 0.054888 0.108227 7C 3pz -0.268429 -0.655657 -0.521319 -0.009229 -0.067694 0.119456 7C 3px -0.085015 -0.176636 -0.131209 0.043195 0.162533 -0.220717 7C 3py -0.257404 -0.404989 -0.346308 0.016518 0.030600 -0.015270 7C 1dz2 -0.058450 -0.119925 -0.068977 0.004947 0.064886 -0.072677 7C 1dxz -0.064083 -0.126275 -0.031275 -0.058843 -0.102004 0.236240 7C 1dyz -0.020188 -0.058090 -0.051075 0.002930 0.006882 -0.000505 7C 1dx2y2 0.084103 0.208912 0.074846 0.034919 -0.010492 -0.062693 7C 1dxy 0.030410 0.077297 0.033490 -0.029760 -0.080888 0.105313 7C 2dz2 -0.182980 -0.453468 -0.327251 0.019471 0.185472 -0.224834 7C 2dxz -0.235678 -0.458053 -0.239440 -0.224395 -0.337408 0.846727 7C 2dyz -0.103997 -0.247394 -0.187680 -0.029870 0.014482 0.084863 7C 2dx2y2 0.308738 0.714799 0.454758 0.108090 0.000368 -0.209235 7C 2dxy 0.081280 0.238492 0.178991 -0.120359 -0.252518 0.446532 7C 1f0 0.003846 0.036471 0.034638 -0.070800 -0.136866 0.305681 7C 1f+1 -0.000003 0.002849 -0.018325 0.065312 0.139872 -0.289241 7C 1f-1 0.024723 0.061240 0.075522 -0.018994 -0.045497 0.080462 7C 1f+2 -0.004461 -0.059138 -0.047557 0.048898 0.086488 -0.209224 7C 1f-2 0.025191 -0.016739 -0.010803 0.089174 0.164118 -0.349225 7C 1f+3 -0.015845 -0.011648 -0.016772 0.080030 0.136662 -0.302355 7C 1f-3 0.021697 0.001356 -0.005401 0.013954 0.021464 -0.054037 8C 1s 0.003930 -0.001798 -0.002713 0.001163 0.000403 -0.001654 8C 2s 0.005289 -0.002397 -0.004246 0.001025 0.000194 -0.001753 8C 3s -0.116181 0.052192 0.146372 0.027811 0.035983 0.001570 8C 4s -0.058848 0.009639 -0.234910 -0.126153 -0.076855 0.201200 8C 5s -0.774967 0.347475 0.697882 0.209077 0.168788 -0.151474 8C 1pz 0.016334 -0.011340 -0.014632 0.022495 0.021926 -0.000446 8C 1px 0.005807 -0.007738 -0.009565 -0.063802 -0.072116 -0.017725 8C 1py -0.028405 0.009033 0.027738 -0.011291 -0.008603 0.004377 8C 2pz -0.000423 0.026329 0.079803 -0.172527 -0.206035 -0.099082 8C 2px 0.077327 0.011418 0.034848 0.464166 0.504024 0.050623 8C 2py -0.113282 0.042611 -0.079755 0.089116 0.142067 0.166738 8C 3pz 0.234473 -0.081916 -0.135905 -0.018056 -0.035838 0.001550 8C 3px -0.004765 0.005146 -0.028867 -0.026191 0.013227 0.019188 8C 3py -0.159311 0.086202 0.150695 0.039420 0.032012 -0.039053 8C 1dz2 -0.002726 0.005222 0.001518 -0.028714 -0.030309 -0.005305 8C 1dxz 0.000340 0.005020 -0.004094 0.047809 0.051996 0.014944 8C 1dyz 0.010306 -0.004554 -0.002014 0.042317 0.042566 0.001218 8C 1dx2y2 0.007289 0.003695 0.006043 0.045686 0.046730 0.001542 8C 1dxy -0.004856 -0.000134 0.008468 -0.071982 -0.080066 -0.023245 8C 2dz2 -0.034572 -0.002300 0.035202 0.047953 0.057028 0.000976 8C 2dxz -0.050446 0.010847 0.034436 0.071359 0.083303 0.045383 8C 2dyz 0.041988 -0.000642 0.048618 0.009482 -0.012443 -0.049946 8C 2dx2y2 0.046497 -0.032040 -0.018777 -0.121989 -0.152210 -0.054188 8C 2dxy 0.023336 0.006744 0.007025 0.130649 0.155095 0.011758 8C 1f0 0.026902 -0.012250 -0.019904 0.010934 0.007922 -0.000833 8C 1f+1 0.040979 -0.015814 -0.024349 0.027566 0.023222 -0.005941 8C 1f-1 -0.009588 -0.001787 0.005362 -0.014909 -0.012879 -0.002118 8C 1f+2 0.007125 -0.002199 -0.015425 -0.045801 -0.043444 -0.005882 8C 1f-2 -0.032418 0.013699 0.013269 0.005305 0.009724 0.017785 8C 1f+3 0.039828 -0.018305 -0.022602 -0.047499 -0.053026 -0.026812 8C 1f-3 -0.058306 0.022434 0.034757 -0.068359 -0.059926 0.000466 9C 1s -0.001780 -0.003886 -0.002784 -0.000632 0.000520 0.001069 9C 2s -0.002358 -0.005311 -0.004334 -0.000840 0.000530 0.001421 9C 3s 0.048517 0.123005 0.145657 0.018735 -0.000616 -0.032560 9C 4s 0.036901 0.025409 -0.219652 0.022912 0.004435 -0.105819 9C 5s 0.324019 0.789316 0.766055 -0.018793 -0.002891 0.041137 9C 1pz -0.008816 -0.028736 -0.027402 -0.000321 0.008602 -0.007099 9C 1px -0.003024 -0.004998 -0.005397 -0.015421 -0.024908 0.058695 9C 1py -0.013187 -0.016890 -0.016815 -0.007036 -0.003300 0.016758 9C 2pz -0.054472 -0.071443 0.089351 -0.078813 -0.090079 0.278697 9C 2px -0.013430 -0.059860 0.000249 0.093506 0.173545 -0.365324 9C 2py 0.008712 -0.034997 0.072625 -0.000898 0.004880 0.026777 9C 3pz -0.102314 -0.208048 -0.184487 0.005904 0.001438 -0.010992 9C 3px 0.044788 0.099524 0.015586 0.011877 0.001733 -0.014079 9C 3py -0.049449 -0.167379 -0.130752 -0.001044 -0.000808 0.000343 9C 1dz2 -0.004182 0.005299 -0.002392 -0.007776 -0.018273 0.031786 9C 1dxz -0.001020 -0.002991 -0.010774 0.018996 0.035521 -0.072774 9C 1dyz 0.004856 0.004003 -0.003112 0.001602 -0.002454 -0.001048 9C 1dx2y2 -0.005841 -0.002796 0.003881 -0.001450 0.000094 0.008240 9C 1dxy 0.001622 -0.001752 -0.002000 0.011505 0.026118 -0.052793 9C 2dz2 0.039068 0.028492 -0.008297 0.033914 0.040354 -0.119394 9C 2dxz 0.007164 0.018490 0.031421 -0.011469 -0.011935 0.033107 9C 2dyz 0.000870 0.032363 -0.046105 -0.001977 -0.014869 -0.004686 9C 2dx2y2 -0.020398 -0.072823 -0.052254 -0.047664 -0.060146 0.140113 9C 2dxy -0.010893 -0.018305 -0.024599 -0.009578 -0.027962 0.073315 9C 1f0 -0.012131 -0.019525 -0.012865 0.009050 0.025964 -0.042552 9C 1f+1 -0.026358 -0.057714 -0.036203 -0.013915 -0.011985 0.044750 9C 1f-1 0.001121 0.004792 0.010654 0.001150 0.002846 -0.001603 9C 1f+2 0.014691 0.038248 0.018440 -0.002277 -0.018485 0.020891 9C 1f-2 -0.000344 0.006737 0.010809 -0.010376 -0.022072 0.041618 9C 1f+3 0.001795 0.000720 -0.000659 -0.008107 -0.015379 0.029110 9C 1f-3 -0.021178 -0.051848 -0.034285 -0.002765 0.010718 -0.003126 10H 1s 0.004623 0.010942 0.001834 0.019949 -0.034767 -0.076218 10H 2s -0.000373 0.005204 0.022914 0.069530 -0.107545 -0.237704 10H 3s -0.036556 -0.077507 -0.001090 0.001517 0.006560 -0.001177 10H 1pz -0.006398 -0.012921 0.010334 0.022549 -0.030688 -0.075715 10H 1px -0.012634 -0.029075 0.013550 -0.013492 0.027487 0.053795 10H 1py -0.007278 -0.015254 0.012652 0.009196 -0.014570 -0.038956 11H 1s -0.007721 -0.018017 0.007366 -0.001981 0.009824 0.018797 11H 2s -0.000927 -0.012064 0.002587 -0.002116 0.019678 0.024821 11H 3s 0.042824 0.119335 -0.059342 -0.008268 -0.003574 0.009971 11H 1pz -0.004683 -0.006641 0.012809 -0.001462 0.005241 0.010276 11H 1px -0.004556 -0.012071 0.004052 -0.002765 0.006096 0.007489 11H 1py 0.003433 0.012402 -0.002915 -0.004685 0.002492 0.011045 12H 1s -0.001216 -0.010731 0.009079 -0.013143 0.017272 0.041081 12H 2s 0.020316 0.027323 -0.022647 -0.029263 0.037268 0.075570 12H 3s 0.022728 0.046874 -0.033658 0.003301 -0.002588 -0.002329 12H 1pz 0.000809 -0.004927 0.007334 -0.002887 0.004766 0.012531 12H 1px 0.002464 0.002891 -0.007929 -0.005779 0.009018 0.019840 12H 1py 0.006364 0.000166 0.002562 -0.009102 0.012209 0.029831 13H 1s -0.015646 0.004096 0.001474 0.087413 -0.075046 0.019760 13H 2s -0.015591 0.005386 0.020833 0.243419 -0.237627 0.075997 13H 3s 0.067023 -0.026016 -0.004235 -0.035182 0.020784 0.014889 13H 1pz -0.003481 0.000833 0.005872 0.074999 -0.069578 0.018585 13H 1px 0.030784 -0.013149 0.015703 -0.044813 0.038301 -0.008219 13H 1py -0.013851 0.007017 -0.010995 -0.059853 0.060085 -0.022597 14H 1s 0.009282 0.000863 0.007888 -0.050336 0.046133 -0.020583 14H 2s -0.026788 0.028325 -0.021505 -0.098586 0.105942 -0.045002 14H 3s -0.018944 0.010673 -0.022276 -0.010539 0.006177 0.014696 14H 1pz 0.002078 0.005018 0.006517 -0.019042 0.019878 -0.011356 14H 1px -0.005544 0.008806 -0.008084 -0.038666 0.038456 -0.016085 14H 1py -0.008997 0.001594 -0.007293 0.014655 -0.015185 0.005260 15H 1s 0.020862 -0.008849 0.006991 -0.019121 0.014445 0.001855 15H 2s 0.033211 -0.005615 0.019098 -0.028293 0.025754 0.007059 15H 3s -0.137968 0.051070 -0.065881 -0.008820 0.018044 -0.011197 15H 1pz -0.022525 0.006035 -0.006832 0.001152 0.002457 -0.008543 15H 1px 0.003819 -0.001731 0.001881 -0.009635 0.009486 -0.004750 15H 1py -0.014313 0.007412 -0.017371 0.006097 -0.006496 0.002694 16H 1s 0.001503 0.039371 0.013282 0.016523 0.008139 -0.083847 16H 2s -0.017068 0.011980 0.088026 0.012099 0.037675 -0.149293 16H 3s 0.002574 -0.037457 -0.053172 -0.013997 0.045636 0.027014 16H 1pz -0.004986 0.022882 0.029894 0.013896 0.013686 -0.090899 16H 1px 0.000865 0.015441 -0.006027 0.001973 -0.002213 0.010897 16H 1py 0.004039 0.014293 0.011511 -0.000893 0.002447 -0.038423 17H 1s 0.026066 -0.027211 0.019380 -0.034982 -0.060224 0.023328 17H 2s -0.012356 -0.020462 0.092233 -0.061505 -0.095499 -0.043610 17H 3s -0.018323 0.021070 -0.056334 0.003838 0.055698 -0.003960 17H 1pz -0.011965 0.021318 -0.022490 0.026982 0.038496 -0.005070 17H 1px 0.003089 0.002453 -0.025325 0.030618 0.042298 0.010531 17H 1py 0.011911 -0.012425 0.018027 -0.021148 -0.037610 -0.008186 18H 1s -0.026218 0.026990 0.018412 -0.036712 0.058377 0.007375 18H 2s 0.011363 0.018410 0.089441 -0.060219 0.086652 -0.072658 18H 3s 0.017823 -0.021359 -0.056076 0.007701 -0.055721 -0.002800 18H 1pz -0.012370 0.021483 0.022395 -0.028335 0.037538 -0.005251 18H 1px 0.002527 0.001638 0.024275 -0.030703 0.038894 -0.022737 18H 1py 0.011681 -0.011690 -0.016590 0.020711 -0.034006 0.017293 19H 1s -0.000852 -0.039844 0.013177 0.018177 -0.011116 -0.068412 19H 2s 0.019777 -0.013740 0.087419 0.019561 -0.043707 -0.117245 19H 3s -0.001839 0.037513 -0.053063 -0.010876 -0.045414 0.024859 19H 1pz -0.006169 0.023240 -0.029205 -0.016797 0.017081 0.072406 19H 1px 0.001548 0.014973 0.006274 -0.001273 -0.002806 -0.008900 19H 1py 0.003644 0.015322 -0.012164 -0.000566 0.004532 0.033390 20H 1s -0.020784 0.008773 0.007005 -0.018715 -0.016053 0.003614 20H 2s -0.032196 0.005201 0.018341 -0.027167 -0.027860 0.008868 20H 3s 0.136962 -0.050265 -0.065272 -0.007987 -0.019356 -0.009511 20H 1pz -0.022172 0.005918 0.006612 -0.001247 0.002900 0.008189 20H 1px 0.003936 -0.001751 -0.001842 0.009249 0.010519 0.003623 20H 1py -0.014051 0.007188 0.017189 -0.005874 -0.007237 -0.002069 21H 1s -0.009505 -0.000720 0.007916 -0.047010 -0.049819 -0.014861 21H 2s 0.027292 -0.027781 -0.021866 -0.090250 -0.112647 -0.032925 21H 3s 0.020558 -0.011505 -0.022657 -0.010406 -0.006364 0.014552 21H 1pz 0.001957 0.005048 -0.006457 0.017447 0.021314 0.009012 21H 1px -0.005470 0.008506 0.008047 0.035635 0.041036 0.011410 21H 1py -0.008686 0.001414 0.007207 -0.013569 -0.016223 -0.003354 22H 1s 0.015648 -0.004243 0.001509 0.082999 0.081821 0.011268 22H 2s 0.014758 -0.005133 0.021695 0.230190 0.258790 0.049092 22H 3s -0.067717 0.026298 -0.004139 -0.034203 -0.022506 0.018200 22H 1pz -0.003213 0.000749 -0.006008 -0.070694 -0.075359 -0.010619 22H 1px 0.030992 -0.013175 -0.015665 0.042957 0.042007 0.003721 22H 1py -0.014032 0.007025 0.011179 0.056739 0.065703 0.015669 23H 1s 0.001519 0.011049 0.009132 -0.011030 -0.016132 0.034113 23H 2s -0.019694 -0.026885 -0.022575 -0.024345 -0.035077 0.061597 23H 3s -0.023697 -0.049769 -0.034612 0.003084 0.002550 -0.002849 23H 1pz 0.001098 -0.004297 -0.007166 0.002374 0.004296 -0.010751 23H 1px 0.002250 0.002569 0.007716 0.004521 0.008361 -0.016111 23H 1py 0.006107 -0.000122 -0.002722 0.007503 0.011195 -0.024936 24H 1s 0.007628 0.017738 0.007463 -0.001130 -0.009537 0.016405 24H 2s 0.000531 0.009724 0.000766 -0.000405 -0.019429 0.022164 24H 3s -0.042195 -0.116993 -0.058282 -0.008024 0.003397 0.006832 24H 1pz -0.004562 -0.006086 -0.012425 0.001067 0.004995 -0.009607 24H 1px -0.004440 -0.011540 -0.003557 0.002184 0.006191 -0.006410 24H 1py 0.003269 0.011657 0.002590 0.004341 0.002384 -0.009806 25H 1s -0.004798 -0.011024 0.001679 0.016286 0.033172 -0.065326 25H 2s 0.000837 -0.004252 0.023491 0.057924 0.103145 -0.202462 25H 3s 0.037537 0.078097 -0.000850 0.002753 -0.007235 -0.004552 25H 1pz -0.006462 -0.013034 -0.010436 -0.019285 -0.029359 0.064880 25H 1px -0.012754 -0.029017 -0.013625 0.010537 0.026425 -0.045409 25H 1py -0.007545 -0.015637 -0.012717 -0.007512 -0.013323 0.033072 26O 1s 0.001958 0.005020 0.000200 0.000533 -0.002472 -0.003059 26O 2s 0.006764 0.017324 -0.000969 0.002059 -0.008998 -0.011413 26O 3s -0.096931 -0.249611 0.041263 -0.029045 0.124078 0.159012 26O 4s 0.244739 0.685937 -0.198536 0.130867 -0.348170 -0.605635 26O 5s 0.493683 0.919319 -0.698973 -0.163562 -0.301267 0.378753 26O 1pz 0.032335 0.073620 -0.053148 -0.027946 0.028157 0.091411 26O 1px 0.023192 0.056479 0.002927 0.016120 -0.057133 -0.078627 26O 1py 0.032658 0.063476 -0.031113 -0.009893 -0.003825 0.027467 26O 2pz -0.149028 -0.304388 0.220380 0.147958 -0.169150 -0.530754 26O 2px -0.178987 -0.431354 0.148950 -0.071627 0.277062 0.354025 26O 2py -0.153200 -0.346637 0.188410 0.075008 -0.002521 -0.190563 26O 3pz -0.052445 -0.074307 -0.132198 -0.046444 0.083348 0.243477 26O 3px -0.157021 -0.287938 -0.056130 -0.027733 0.283374 0.198065 26O 3py -0.047639 -0.174474 -0.088541 -0.078413 0.144613 0.206275 26O 1dz2 -0.045714 -0.018496 0.098575 0.017830 -0.092166 -0.227533 26O 1dxz -0.191408 -0.356634 0.289058 0.047502 -0.031373 -0.209727 26O 1dyz -0.092860 -0.226824 0.159428 0.114756 -0.065193 -0.324609 26O 1dx2y2 0.012508 0.146289 -0.195024 -0.091690 0.104974 0.183310 26O 1dxy -0.083418 -0.209502 0.070405 0.040962 0.041427 -0.068702 26O 2dz2 0.013663 -0.061329 -0.074366 -0.041533 0.156615 0.327339 26O 2dxz 0.247515 0.445267 -0.350063 -0.136669 0.145565 0.542948 26O 2dyz 0.118145 0.263880 -0.187340 -0.166679 0.132200 0.520899 26O 2dx2y2 0.018828 -0.079494 0.185266 0.147888 -0.220383 -0.398249 26O 2dxy 0.136589 0.348210 -0.129284 -0.079291 -0.039754 0.167047 26O 1f0 0.070151 0.103993 -0.071864 -0.052611 0.078173 0.243078 26O 1f+1 0.013190 0.042200 -0.000915 0.049228 -0.095951 -0.191609 26O 1f-1 0.021740 0.064598 -0.019386 -0.009711 -0.018995 0.020005 26O 1f+2 -0.058553 -0.119338 0.084733 0.049135 -0.041486 -0.152727 26O 1f-2 -0.047317 -0.080039 0.040701 0.082450 -0.106491 -0.293709 26O 1f+3 -0.010146 -0.059438 0.060943 0.072363 -0.100786 -0.228444 26O 1f-3 0.037509 0.103383 -0.016166 -0.014260 -0.029908 0.004254 27O 1s -0.005708 0.002221 -0.000136 0.006267 -0.003918 -0.000765 27O 2s -0.019676 0.007603 -0.001820 0.022209 -0.014503 -0.001995 27O 3s 0.280759 -0.108787 0.048526 -0.297647 0.197395 0.018427 27O 4s -0.748715 0.271437 -0.199763 0.865574 -0.649140 0.086159 27O 5s -1.082720 0.545308 -0.639389 0.288648 -0.072833 -0.458761 27O 1pz -0.033059 0.021039 -0.032768 -0.068151 0.062382 -0.023986 27O 1px -0.088870 0.035699 -0.007376 0.129343 -0.095832 -0.011924 27O 1py 0.078298 -0.035623 0.051149 0.056895 -0.059197 0.038406 27O 2pz 0.117118 -0.066684 0.118296 0.385736 -0.346933 0.140842 27O 2px 0.583486 -0.236674 0.185244 -0.566186 0.419663 0.046367 27O 2py -0.344400 0.175871 -0.229257 -0.383095 0.368037 -0.197536 27O 3pz 0.032098 0.027497 -0.041350 -0.065478 0.072071 -0.088005 27O 3px 0.424528 -0.193548 -0.046737 -0.441585 0.358917 0.052370 27O 3py -0.134544 0.072053 0.086736 0.248703 -0.215726 0.047757 27O 1dz2 -0.097407 0.083380 -0.000906 0.060909 -0.017569 -0.030853 27O 1dxz 0.259816 -0.077732 0.225842 0.146868 -0.173470 0.118077 27O 1dyz -0.072224 0.021719 -0.048031 -0.205420 0.199500 -0.127266 27O 1dx2y2 -0.013395 0.042363 -0.153585 -0.336977 0.256857 0.000012 27O 1dxy -0.402118 0.207831 -0.280618 -0.108850 0.180274 -0.152867 27O 2dz2 0.200848 -0.126040 0.036413 -0.104112 0.035719 0.060854 27O 2dxz -0.282113 0.088994 -0.260578 -0.413453 0.422803 -0.215302 27O 2dyz 0.067564 -0.020033 0.049942 0.262452 -0.260958 0.152777 27O 2dx2y2 -0.129499 0.007539 0.123853 0.588078 -0.465519 0.028511 27O 2dxy 0.520015 -0.285178 0.357274 0.394927 -0.466688 0.288615 27O 1f0 -0.038519 0.007299 -0.046638 -0.150243 0.144568 -0.057274 27O 1f+1 -0.088732 0.034068 -0.012557 0.061196 -0.034421 -0.029922 27O 1f-1 0.052179 -0.021876 0.025271 0.100515 -0.097857 0.061207 27O 1f+2 0.083862 -0.033554 0.069230 0.223967 -0.200933 0.089119 27O 1f-2 0.032319 -0.012801 0.027701 -0.133491 0.120607 -0.040704 27O 1f+3 -0.050920 -0.000888 0.025948 0.314651 -0.269893 0.060874 27O 1f-3 0.175372 -0.106222 0.101923 0.241880 -0.239764 0.124690 28O 1s 0.002215 0.004714 0.000980 -0.002210 0.002726 0.007821 28O 2s 0.007639 0.016104 0.002082 -0.007814 0.009923 0.027514 28O 3s -0.110734 -0.234299 -0.003478 0.107944 -0.140954 -0.378817 28O 4s 0.305829 0.628476 -0.065395 -0.303557 0.412198 1.097557 28O 5s 0.436417 1.002348 -0.557767 -0.268365 0.374307 0.753813 28O 1pz 0.042383 0.102141 -0.039853 -0.019142 0.013205 0.050254 28O 1px -0.012318 -0.012909 -0.045711 0.041670 -0.066170 -0.153403 28O 1py 0.025330 0.054746 -0.040765 0.003605 -0.017509 -0.029193 28O 2pz -0.239108 -0.558241 0.265354 0.081611 -0.047171 -0.170147 28O 2px 0.122600 0.227450 0.071259 -0.218372 0.343902 0.804878 28O 2py -0.095231 -0.252771 0.187792 -0.046783 0.101757 0.204442 28O 3pz -0.156398 -0.280581 -0.157526 0.090122 -0.245990 -0.423145 28O 3px 0.117011 0.259631 0.057588 -0.119229 0.256759 0.353154 28O 3py -0.007241 -0.091914 -0.087079 0.053578 -0.052396 -0.107875 28O 1dz2 -0.184537 -0.341070 0.275642 0.053498 0.070743 0.068737 28O 1dxz 0.057145 0.146207 0.043600 -0.069696 0.106679 0.282210 28O 1dyz -0.079399 -0.292265 0.215162 -0.046367 0.069106 0.133601 28O 1dx2y2 0.051471 0.185990 -0.255221 0.059168 -0.106730 -0.162819 28O 1dxy 0.057206 0.190309 -0.133460 -0.017731 -0.002536 0.086663 28O 2dz2 0.225887 0.446292 -0.363661 -0.004702 -0.176591 -0.293539 28O 2dxz -0.133415 -0.312882 0.001287 0.115518 -0.162824 -0.415295 28O 2dyz 0.097480 0.365712 -0.271975 0.081314 -0.138088 -0.279862 28O 2dx2y2 -0.034688 -0.160753 0.298750 -0.128832 0.232839 0.440713 28O 2dxy -0.076969 -0.272261 0.189051 -0.011582 0.054469 0.024213 28O 1f0 -0.010974 -0.038474 0.064953 -0.059376 0.097120 0.214943 28O 1f+1 0.094860 0.198991 -0.119167 0.011068 -0.075366 -0.135964 28O 1f-1 0.000965 -0.021131 0.014121 -0.034476 0.062209 0.121978 28O 1f+2 -0.023936 -0.053216 -0.036427 0.049132 -0.093972 -0.209863 28O 1f-2 0.035986 0.135320 -0.083022 0.046095 -0.080993 -0.181615 28O 1f+3 0.017470 0.064356 -0.090076 0.050993 -0.091475 -0.195891 28O 1f-3 0.024837 0.097915 -0.069753 0.008995 -0.019705 -0.015045 29O 1s -0.000628 -0.000236 0.001513 0.000492 0.000427 0.000710 29O 2s -0.001879 -0.000774 0.003619 0.001605 0.001659 0.002802 29O 3s 0.023750 0.010684 -0.029381 -0.024732 -0.028792 -0.051889 29O 4s -0.063336 -0.030872 0.094672 0.062297 0.059409 0.120872 29O 5s 0.088086 0.039061 -0.343512 -0.008115 0.107830 0.111388 29O 1pz 0.003009 -0.013750 -0.005876 -0.011368 -0.009994 0.025696 29O 1px 0.006223 -0.002014 0.016674 -0.005060 -0.012795 0.000163 29O 1py -0.001267 0.000331 -0.010565 0.004651 0.012176 0.009787 29O 2pz -0.016660 0.068508 0.026421 0.058344 0.066336 -0.132212 29O 2px -0.020705 0.017653 -0.078111 0.032177 0.063045 0.009187 29O 2py 0.013558 0.000297 0.054354 -0.027586 -0.059832 -0.060610 29O 3pz 0.016328 -0.031879 -0.043417 0.011031 0.046701 -0.015354 29O 3px -0.007040 -0.019284 0.132449 0.023612 -0.029211 -0.012391 29O 3py -0.028183 -0.009802 0.034105 -0.019265 0.023100 -0.044956 29O 1dz2 -0.004117 0.041071 0.008992 0.000977 -0.002086 -0.043025 29O 1dxz 0.012932 -0.046771 0.008148 -0.007458 -0.031478 -0.003992 29O 1dyz 0.012266 0.004316 -0.001787 0.023714 0.023885 -0.045379 29O 1dx2y2 0.013108 -0.023517 0.004987 0.002122 0.019008 0.003794 29O 1dxy -0.045788 -0.008208 -0.004517 0.008499 0.028770 -0.018056 29O 2dz2 0.005107 -0.052749 -0.024232 -0.007043 -0.004367 0.090794 29O 2dxz -0.018164 0.054191 -0.022753 0.024927 0.059238 -0.000088 29O 2dyz -0.003969 -0.023994 0.001181 -0.046561 -0.055709 0.086309 29O 2dx2y2 -0.013393 0.025696 0.001043 0.000335 -0.016082 -0.014689 29O 2dxy 0.044470 -0.001013 0.020307 -0.024181 -0.054377 0.015753 29O 1f0 0.006546 0.006340 0.012033 -0.007146 -0.010490 -0.021551 29O 1f+1 -0.003097 -0.000339 -0.002631 0.004797 0.008049 0.004744 29O 1f-1 -0.001455 0.019028 0.018163 0.003207 -0.002460 -0.047289 29O 1f+2 -0.003910 -0.005876 -0.001403 -0.003675 -0.005976 0.020376 29O 1f-2 0.014938 -0.021580 0.016054 -0.019488 -0.033764 0.006822 29O 1f+3 -0.005041 0.004786 -0.002706 0.007859 0.007237 -0.001532 29O 1f-3 0.001481 0.013975 -0.003196 0.008204 0.011016 -0.006544 30O 1s -0.004547 0.001995 0.000926 -0.005225 0.005309 -0.004102 30O 2s -0.015404 0.006818 0.001776 -0.019099 0.019161 -0.014024 30O 3s 0.221362 -0.098210 0.001537 0.273395 -0.271318 0.185317 30O 4s -0.580900 0.277841 -0.072324 -0.924321 0.905439 -0.461183 30O 5s -0.935445 0.335272 -0.630999 -0.203463 0.272441 -0.525439 30O 1pz -0.061549 0.027413 -0.021013 -0.016797 0.024169 -0.033695 30O 1px -0.007761 0.000667 -0.048314 0.133057 -0.126251 0.068441 30O 1py 0.098020 -0.035246 0.045635 -0.010027 -0.002585 0.029335 30O 2pz 0.363210 -0.138405 0.165988 0.057707 -0.102452 0.126716 30O 2px -0.107903 0.066089 0.090169 -0.727459 0.690113 -0.343943 30O 2py -0.508726 0.195135 -0.274050 0.115835 -0.036966 -0.107370 30O 3pz 0.208626 -0.049176 -0.132333 0.236489 -0.285340 0.180406 30O 3px -0.196966 0.067385 0.004659 -0.164691 0.204695 -0.185508 30O 3py -0.212707 0.112383 0.179339 -0.322632 0.366504 -0.145884 30O 1dz2 0.107160 0.009056 0.098465 0.014278 0.001129 -0.052603 30O 1dxz 0.007887 -0.007432 0.112429 -0.154335 0.142344 -0.114459 30O 1dyz -0.349825 0.102102 -0.192331 0.182778 -0.148903 -0.042346 30O 1dx2y2 -0.384504 0.186907 -0.360780 0.228118 -0.196313 -0.009271 30O 1dxy 0.078681 -0.044995 -0.041497 0.207358 -0.186269 0.137808 30O 2dz2 -0.127592 -0.015449 -0.122798 0.108357 -0.112472 0.097461 30O 2dxz 0.077755 -0.020599 -0.101555 0.287506 -0.277778 0.186783 30O 2dyz 0.493695 -0.148327 0.268864 -0.353103 0.295745 0.036963 30O 2dx2y2 0.474359 -0.208669 0.449897 -0.609769 0.544165 -0.097953 30O 2dxy -0.200865 0.100565 0.000671 -0.256508 0.250984 -0.198908 30O 1f0 -0.016001 0.009670 0.024458 -0.045453 0.040744 -0.039457 30O 1f+1 -0.084505 0.009957 -0.055930 0.051888 -0.044912 0.015072 30O 1f-1 -0.052241 0.010282 -0.028897 0.122877 -0.105351 0.020727 30O 1f+2 -0.097098 0.032532 -0.091512 0.305330 -0.276317 0.088128 30O 1f-2 0.156644 -0.048905 0.045858 -0.075575 0.043421 0.029268 30O 1f+3 -0.192411 0.081658 -0.133958 0.240631 -0.195051 0.027050 30O 1f-3 -0.018117 -0.010520 -0.044323 0.258713 -0.236299 0.105601 31O 1s 0.004520 -0.002004 0.000938 -0.004885 -0.005861 -0.003663 31O 2s 0.015321 -0.006840 0.001813 -0.017863 -0.021126 -0.012429 31O 3s -0.220405 0.098379 0.001122 0.255896 0.298735 0.163020 31O 4s 0.580113 -0.277642 -0.071708 -0.867659 -0.989357 -0.374027 31O 5s 0.930379 -0.333667 -0.628003 -0.178665 -0.316525 -0.556582 31O 1pz -0.061336 0.027442 0.020951 0.015220 0.027281 0.032612 31O 1px -0.008393 0.000527 0.048603 -0.124809 -0.138047 -0.056084 31O 1py 0.097880 -0.035206 -0.045654 0.010387 -0.003754 -0.030939 31O 2pz 0.362507 -0.138284 -0.165880 -0.051058 -0.114542 -0.125069 31O 2px -0.105695 0.066148 -0.091208 0.682649 0.753669 0.277524 31O 2py -0.508211 0.194860 0.274292 -0.114250 -0.037020 0.123312 31O 3pz 0.205839 -0.050179 0.133974 -0.217536 -0.308995 -0.164026 31O 3px -0.193724 0.067608 -0.006391 0.149023 0.225283 0.191633 31O 3py -0.209974 0.113590 -0.180999 0.298290 0.393206 0.119590 31O 1dz2 -0.107952 -0.009593 0.098619 0.014881 -0.002036 -0.056345 31O 1dxz -0.009673 0.006803 0.113297 -0.144818 -0.157871 -0.102967 31O 1dyz 0.350098 -0.101942 -0.192631 0.174750 0.156616 -0.071585 31O 1dx2y2 0.386653 -0.186095 -0.361946 0.215997 0.208899 -0.034406 31O 1dxy -0.077590 0.045262 -0.042035 0.194888 0.206163 0.120439 31O 2dz2 0.128640 0.015909 -0.123072 0.100471 0.123074 0.089637 31O 2dxz -0.075415 0.021194 -0.102641 0.269173 0.305751 0.164117 31O 2dyz -0.493782 0.148332 0.269266 -0.336164 -0.313728 0.088008 31O 2dx2y2 -0.477010 0.208032 0.451419 -0.575552 -0.585655 -0.032916 31O 2dxy 0.199304 -0.100835 0.001291 -0.239437 -0.277252 -0.179161 31O 1f0 -0.015266 0.009829 -0.024699 0.042708 0.045569 0.035848 31O 1f+1 -0.084651 0.009885 0.055968 -0.048858 -0.048371 -0.010058 31O 1f-1 -0.052278 0.010415 0.028989 -0.116225 -0.113931 -0.008382 31O 1f+2 -0.097590 0.032636 0.091906 -0.287621 -0.299672 -0.058304 31O 1f-2 0.156187 -0.049062 -0.045790 0.073299 0.046196 -0.039400 31O 1f+3 -0.192844 0.081626 0.134310 -0.228500 -0.211039 -0.002211 31O 1f-3 -0.018631 -0.010473 0.044563 -0.243337 -0.257610 -0.080821 32O 1s 0.000625 0.000233 0.001524 0.000479 -0.000350 0.000733 32O 2s 0.001865 0.000773 0.003663 0.001554 -0.001384 0.002857 32O 3s -0.023448 -0.010923 -0.030210 -0.023697 0.024063 -0.052370 32O 4s 0.062585 0.031126 0.096510 0.059535 -0.048153 0.122197 32O 5s -0.088651 -0.035070 -0.341229 -0.007390 -0.101627 0.105772 32O 1pz 0.003263 -0.013846 0.005729 0.012073 -0.010609 -0.019061 32O 1px 0.006183 -0.001891 -0.016560 0.005397 -0.012382 0.002360 32O 1py -0.001090 -0.000137 0.010330 -0.004634 0.010938 -0.010593 32O 2pz -0.018393 0.069035 -0.025674 -0.063162 0.069254 0.092604 32O 2px -0.020715 0.016777 0.077385 -0.032972 0.059709 -0.023839 32O 2py 0.012691 0.002721 -0.053004 0.026203 -0.052254 0.065206 32O 3pz 0.014858 -0.032123 0.042848 -0.014019 0.045212 0.001506 32O 3px -0.007424 -0.018833 -0.132480 -0.021173 -0.031148 0.006335 32O 3py -0.028151 -0.009342 -0.033520 0.014598 0.027843 0.045378 32O 1dz2 0.004427 -0.041458 0.008817 0.001167 0.001175 -0.036382 32O 1dxz -0.012732 0.046800 0.007793 -0.008837 0.031124 -0.008263 32O 1dyz -0.011252 -0.004444 -0.000767 0.024829 -0.024449 -0.032645 32O 1dx2y2 -0.013188 0.023618 0.005219 0.003004 -0.017729 0.002560 32O 1dxy 0.045904 0.008845 -0.003909 0.009393 -0.028234 -0.011689 32O 2dz2 -0.005614 0.052638 -0.024007 -0.007545 0.005711 0.073938 32O 2dxz 0.018270 -0.054432 -0.022087 0.027438 -0.058360 0.012003 32O 2dyz 0.002287 0.024617 -0.000704 -0.049455 0.056381 0.059514 32O 2dx2y2 0.013790 -0.026425 0.000647 0.000528 0.013503 -0.011592 32O 2dxy -0.044518 -0.000296 0.018963 -0.024791 0.051465 0.002689 32O 1f0 0.006474 0.005519 -0.010775 0.006758 -0.008833 0.018356 32O 1f+1 -0.003805 0.000100 0.003191 -0.005497 0.008432 -0.007619 32O 1f-1 -0.001537 0.019518 -0.018432 -0.003791 -0.001008 0.041097 32O 1f+2 -0.003768 -0.005875 0.002275 0.004126 -0.006006 -0.017934 32O 1f-2 0.014902 -0.021870 -0.015319 0.020505 -0.032410 0.001466 32O 1f+3 -0.004781 0.003792 0.001989 -0.006815 0.005394 -0.002067 32O 1f-3 0.001572 0.013958 0.002907 -0.008646 0.010749 0.002793 33O 1s -0.002217 -0.004702 0.000991 -0.001948 -0.002496 0.007186 33O 2s -0.007647 -0.016066 0.002121 -0.006863 -0.009130 0.025197 33O 3s 0.110877 0.233870 -0.003941 0.094474 0.130307 -0.345503 33O 4s -0.306435 -0.628380 -0.064446 -0.261891 -0.383421 0.973557 33O 5s -0.440288 -0.998962 -0.557578 -0.241486 -0.351726 0.758727 33O 1pz 0.042609 0.101785 0.039886 0.018125 0.011699 -0.049188 33O 1px -0.011977 -0.012940 0.046060 -0.035234 -0.061830 0.138064 33O 1py 0.025763 0.054898 0.041129 -0.001677 -0.016650 0.023547 33O 2pz -0.240728 -0.556566 -0.265867 -0.078660 -0.042893 0.170960 33O 2px 0.121612 0.227642 -0.072538 0.184777 0.321929 -0.719523 33O 2py -0.097377 -0.253528 -0.189637 0.035520 0.096757 -0.169807 33O 3pz -0.155820 -0.279928 0.157736 -0.066896 -0.231229 0.379900 33O 3px 0.117770 0.259045 -0.058659 0.098992 0.246657 -0.340720 33O 3py -0.007424 -0.092969 0.087225 -0.047859 -0.051440 0.087360 33O 1dz2 0.186297 0.339427 0.276289 0.061497 -0.065479 0.044261 33O 1dxz -0.056979 -0.145577 0.043791 -0.060258 -0.096797 0.267342 33O 1dyz 0.081702 0.292279 0.216600 -0.036930 -0.067879 0.095228 33O 1dx2y2 -0.053004 -0.186059 -0.256598 0.049236 0.103095 -0.146620 33O 1dxy -0.058209 -0.190744 -0.134107 -0.017905 0.005472 0.082087 33O 2dz2 -0.228540 -0.443907 -0.364919 -0.024285 0.165358 -0.231819 33O 2dxz 0.133493 0.311853 0.001127 0.101267 0.149142 -0.392786 33O 2dyz -0.100663 -0.365883 -0.274119 0.064111 0.133512 -0.215187 33O 2dx2y2 0.036932 0.160858 0.300884 -0.106282 -0.221779 0.390302 33O 2dxy 0.078821 0.273010 0.190353 -0.005661 -0.054986 0.010392 33O 1f0 -0.011564 -0.037932 -0.065397 0.049270 0.091360 -0.186497 33O 1f+1 0.095975 0.198164 0.119894 -0.002801 -0.071312 0.109358 33O 1f-1 0.000549 -0.021194 -0.014550 0.028177 0.059550 -0.104145 33O 1f+2 -0.023532 -0.052890 0.036958 -0.040211 -0.087500 0.189202 33O 1f-2 0.037320 0.135591 0.083941 -0.037059 -0.077057 0.151641 33O 1f+3 0.018422 0.064544 0.091017 -0.041776 -0.086553 0.171450 33O 1f-3 0.025479 0.098112 0.070124 -0.006818 -0.019905 0.009909 34O 1s 0.005691 -0.002233 -0.000139 0.005989 0.004249 -0.001132 34O 2s 0.019631 -0.007641 -0.001837 0.021186 0.015710 -0.003347 34O 3s -0.280303 0.109205 0.048899 -0.283559 -0.213835 0.036768 34O 4s 0.748764 -0.272207 -0.201377 0.820721 0.703826 0.014125 34O 5s 1.080383 -0.543852 -0.638690 0.274769 0.062369 -0.418036 34O 1pz -0.033308 0.020830 0.032830 0.064132 0.068010 0.017355 34O 1px -0.088396 0.035996 0.007472 -0.122708 -0.102938 0.020292 34O 1py 0.078480 -0.035460 -0.051264 -0.053287 -0.065096 -0.031628 34O 2pz 0.118000 -0.065715 -0.118364 -0.363520 -0.378763 -0.102621 34O 2px 0.582074 -0.237295 -0.186194 0.536050 0.449900 -0.083028 34O 2py -0.345256 0.174957 0.229746 0.360772 0.404049 0.155041 34O 3pz 0.031942 0.027588 0.041359 0.061158 0.080497 0.073713 34O 3px 0.422059 -0.193904 0.047343 0.413109 0.382490 -0.062797 34O 3py -0.134433 0.072441 -0.086661 -0.234408 -0.233029 -0.022508 34O 1dz2 0.096910 -0.083661 -0.000990 0.058620 0.019194 -0.026423 34O 1dxz -0.261163 0.076770 0.226265 0.135488 0.189207 0.099863 34O 1dyz 0.072561 -0.021167 -0.047917 -0.193297 -0.218663 -0.098127 34O 1dx2y2 0.015271 -0.041309 -0.153926 -0.319618 -0.278322 0.021512 34O 1dxy 0.403275 -0.206921 -0.281061 -0.098207 -0.196607 -0.129503 34O 2dz2 -0.200186 0.126320 0.036647 -0.099847 -0.037914 0.055813 34O 2dxz 0.283791 -0.087527 -0.260889 -0.386233 -0.460345 -0.168578 34O 2dyz -0.067916 0.019411 0.049766 0.246442 0.284902 0.115790 34O 2dx2y2 0.127091 -0.008864 0.123916 0.556583 0.503677 -0.013054 34O 2dxy -0.521504 0.283770 0.357770 0.366742 0.508643 0.230788 34O 1f0 -0.038678 0.006914 0.046600 0.140766 0.156953 0.042720 34O 1f+1 -0.088427 0.034212 0.012662 -0.058370 -0.036251 0.031493 34O 1f-1 0.052269 -0.021683 -0.025244 -0.094485 -0.107441 -0.049293 34O 1f+2 0.084478 -0.032978 -0.069290 -0.211283 -0.219807 -0.065768 34O 1f-2 0.032520 -0.012931 -0.027911 0.125708 0.130785 0.026786 34O 1f+3 -0.050289 -0.000336 -0.025823 -0.297043 -0.292734 -0.033874 34O 1f-3 0.175710 -0.105685 -0.102006 -0.226916 -0.262016 -0.096696 35O 1s -0.001981 -0.005019 0.000179 0.000311 0.002405 -0.002577 35O 2s -0.006847 -0.017319 -0.001045 0.001241 0.008737 -0.009646 35O 3s 0.098057 0.249551 0.042354 -0.017783 -0.120141 0.135496 35O 4s -0.248142 -0.686149 -0.202078 0.097001 0.331677 -0.518017 35O 5s -0.497820 -0.916111 -0.699863 -0.182561 0.311066 0.330950 35O 1pz 0.032480 0.073439 0.053045 0.024921 0.026014 -0.080426 35O 1px 0.023456 0.056288 -0.002661 -0.010715 -0.055410 0.065835 35O 1py 0.032989 0.063599 0.031334 0.010071 -0.004573 -0.025578 35O 2pz -0.149362 -0.303630 -0.219638 -0.129653 -0.156056 0.464937 35O 2px -0.180656 -0.430366 -0.150660 0.045721 0.268367 -0.298411 35O 2py -0.154670 -0.347177 -0.189440 -0.073409 0.001163 0.171755 35O 3pz -0.051922 -0.074845 0.131798 0.037793 0.075004 -0.212936 35O 3px -0.157371 -0.287599 0.055256 0.006381 0.277217 -0.183088 35O 3py -0.047384 -0.175083 0.088335 0.065776 0.141425 -0.182410 35O 1dz2 0.045594 0.018214 0.098127 0.008582 0.083903 -0.198229 35O 1dxz 0.192899 0.355519 0.289137 0.043725 0.024859 -0.186617 35O 1dyz 0.093717 0.226321 0.159378 0.105999 0.058376 -0.281024 35O 1dx2y2 -0.013603 -0.146967 -0.195608 -0.082088 -0.103799 0.160021 35O 1dxy 0.084551 0.209686 0.070966 0.043115 -0.043076 -0.059727 35O 2dz2 -0.013209 0.061575 -0.073501 -0.026039 -0.145776 0.283152 35O 2dxz -0.248789 -0.443818 -0.349463 -0.120252 -0.130593 0.474911 35O 2dyz -0.118905 -0.263275 -0.186935 -0.150439 -0.120419 0.450177 35O 2dx2y2 -0.017997 0.080575 0.185330 0.127025 0.214205 -0.345740 35O 2dxy -0.138092 -0.348505 -0.130061 -0.080181 0.043316 0.145488 35O 1f0 0.070159 0.103639 0.071428 0.044087 0.071042 -0.212843 35O 1f+1 0.013659 0.042123 0.001415 -0.039483 -0.091236 0.164427 35O 1f-1 0.022094 0.064728 0.019593 0.011025 -0.019342 -0.018616 35O 1f+2 -0.058762 -0.118951 -0.084620 -0.044345 -0.037898 0.133865 35O 1f-2 -0.047087 -0.079769 -0.040068 -0.071035 -0.099256 0.255897 35O 1f+3 -0.010255 -0.059862 -0.060704 -0.062248 -0.096133 0.199078 35O 1f-3 0.037889 0.103400 0.016468 0.016506 -0.029856 -0.005310 738 739 740 741 742 743 7.23319 7.23713 14.10846 14.14037 14.18463 14.20545 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s 0.000161 0.000069 -0.000027 0.000004 0.000127 -0.000115 0Rh 2s 0.002302 -0.000626 -0.000251 0.000202 0.000130 -0.000151 0Rh 3s 0.002327 0.000056 -0.000311 0.000136 0.000887 -0.000816 0Rh 4s -0.012898 0.004144 0.001099 -0.001105 0.001029 -0.000626 0Rh 5s 0.044477 -0.012889 -0.002130 0.002599 -0.007096 0.004646 0Rh 6s -0.090758 0.019669 0.003103 -0.002997 0.012073 -0.005284 0Rh 7s 0.233128 -0.049693 -0.011520 0.003176 -0.077509 0.009201 0Rh 8s 0.134910 0.006854 0.004056 -0.012287 0.100572 -0.125314 0Rh 1pz -0.001326 0.008329 -0.000008 -0.000067 0.000096 0.000644 0Rh 1px 0.000439 0.001762 0.000008 -0.000051 0.000214 0.000621 0Rh 1py -0.000107 0.004963 -0.000022 0.000171 -0.000817 -0.002527 0Rh 2pz 0.005706 -0.036030 0.000033 0.000306 -0.000421 -0.002910 0Rh 2px -0.001944 -0.007624 -0.000044 0.000228 -0.000964 -0.002846 0Rh 2py 0.000436 -0.021486 0.000098 -0.000773 0.003597 0.011482 0Rh 3pz -0.021502 0.139372 -0.000148 -0.001435 0.001442 0.013254 0Rh 3px 0.008484 0.029517 0.000331 -0.000956 0.004250 0.013773 0Rh 3py -0.001115 0.083467 -0.000481 0.003595 -0.013295 -0.053884 0Rh 4pz 0.034502 -0.231255 0.000265 0.002975 -0.001009 -0.026443 0Rh 4px -0.016980 -0.049325 -0.001156 0.001675 -0.007640 -0.029891 0Rh 4py 0.000744 -0.139422 0.001171 -0.007514 0.014237 0.112588 0Rh 5pz -0.023877 0.172345 -0.000074 -0.003231 -0.005415 0.028059 0Rh 5px 0.015548 0.039594 0.002872 -0.001931 0.003215 0.034477 0Rh 5py -0.001320 0.104376 -0.002495 0.009431 0.028428 -0.129872 0Rh 6pz -0.027272 0.164092 -0.004944 -0.004228 0.073965 -0.029558 0Rh 6px 0.098617 -0.014268 -0.016984 0.016566 0.080827 0.028868 0Rh 6py 0.061778 0.171512 0.027041 -0.033500 -0.465930 0.105840 0Rh 1dz2 0.011975 0.002359 0.464405 -0.457701 0.037924 -0.053761 0Rh 1dxz 0.003332 0.000266 0.222593 -0.224441 -0.032454 0.063637 0Rh 1dyz 0.024841 0.006507 -0.238192 0.235160 -0.214440 0.223731 0Rh 1dx2y2 -0.001355 0.001306 0.343485 -0.355371 -0.223947 0.200867 0Rh 1dxy 0.007650 0.004412 0.026665 -0.014559 0.581635 -0.586081 0Rh 2dz2 -0.010505 -0.004399 -0.961893 0.949989 -0.078943 0.112028 0Rh 2dxz -0.002527 0.000365 -0.461238 0.466028 0.067675 -0.132620 0Rh 2dyz -0.021590 -0.011194 0.493467 -0.488186 0.446537 -0.466268 0Rh 2dx2y2 0.001112 -0.002001 -0.711570 0.737672 0.466190 -0.418551 0Rh 2dxy -0.006558 -0.005412 -0.055285 0.030265 -1.211217 1.221517 0Rh 3dz2 -0.018063 0.008765 0.876632 -0.871383 0.073225 -0.104028 0Rh 3dxz -0.007278 -0.003493 0.420652 -0.427713 -0.063100 0.122910 0Rh 3dyz -0.038695 0.019353 -0.450052 0.448056 -0.413661 0.432350 0Rh 3dx2y2 0.002428 0.002565 0.648881 -0.676759 -0.431673 0.388127 0Rh 3dxy -0.012410 0.001400 0.050498 -0.027890 1.122061 -1.132710 0Rh 4dz2 0.005039 -0.046107 -0.478980 0.487866 -0.042889 0.059656 0Rh 4dxz 0.011527 0.011146 -0.230437 0.239672 0.037653 -0.069690 0Rh 4dyz 0.016063 -0.110148 0.246726 -0.251513 0.240428 -0.247403 0Rh 4dx2y2 -0.002156 -0.016907 -0.355357 0.378597 0.250977 -0.221683 0Rh 4dxy 0.006688 -0.028228 -0.027657 0.016054 -0.652548 0.648180 0Rh 5dz2 0.202528 0.212901 0.218155 -0.243985 0.027503 -0.023633 0Rh 5dxz 0.017624 -0.027273 0.107154 -0.119124 -0.023950 0.032868 0Rh 5dyz 0.396650 0.533596 -0.115605 0.128585 -0.145707 0.122040 0Rh 5dx2y2 -0.019383 0.087149 0.163473 -0.187719 -0.156392 0.098877 0Rh 5dxy 0.117307 0.190219 0.011112 -0.009887 0.399156 -0.314761 0Rh 1f0 0.000472 0.004032 -0.001156 -0.002091 -0.003355 -0.001586 0Rh 1f+1 0.000553 0.006110 0.001433 0.002148 -0.001735 -0.002574 0Rh 1f-1 -0.001788 0.026027 0.000825 0.001188 -0.000271 -0.000316 0Rh 1f+2 0.001193 -0.014932 0.000673 0.000705 -0.002841 -0.001914 0Rh 1f-2 0.000845 0.005341 -0.000671 -0.001737 0.004496 0.001759 0Rh 1f+3 -0.000737 0.004816 -0.001359 -0.002583 -0.005333 -0.003990 0Rh 1f-3 -0.000828 0.004236 -0.000522 -0.001114 0.010642 0.004464 1Rh 1s -0.000150 0.000071 -0.000027 -0.000004 0.000128 0.000106 1Rh 2s -0.002468 -0.000677 -0.000251 -0.000202 0.000130 0.000140 1Rh 3s -0.002356 0.000040 -0.000309 -0.000138 0.000890 0.000753 1Rh 4s 0.013961 0.004464 0.001102 0.001101 0.001035 0.000570 1Rh 5s -0.047894 -0.013927 -0.002142 -0.002578 -0.007133 -0.004211 1Rh 6s 0.096566 0.021437 0.003119 0.002959 0.012146 0.004578 1Rh 7s -0.249669 -0.053787 -0.011651 -0.003058 -0.078157 -0.005143 1Rh 8s -0.135259 0.008508 0.003884 0.012385 0.102692 0.121492 1Rh 1pz -0.003539 -0.008306 0.000015 -0.000061 -0.000074 0.000572 1Rh 1px 0.000025 -0.001726 -0.000006 -0.000049 -0.000202 0.000610 1Rh 1py -0.002397 -0.005084 0.000022 0.000173 0.000796 -0.002548 1Rh 2pz 0.015283 0.035933 -0.000064 0.000279 0.000322 -0.002590 1Rh 2px -0.000155 0.007466 0.000034 0.000219 0.000911 -0.002800 1Rh 2py 0.010341 0.022005 -0.000099 -0.000780 -0.003499 0.011573 1Rh 3pz -0.058650 -0.139060 0.000280 -0.001322 -0.000982 0.012038 1Rh 3px 0.001635 -0.028942 -0.000290 -0.000917 -0.004002 0.013666 1Rh 3py -0.039460 -0.085417 0.000480 0.003623 0.012838 -0.054220 1Rh 4pz 0.096427 0.230865 -0.000513 0.002785 0.000050 -0.024991 1Rh 4px -0.005643 0.048458 0.001077 0.001601 0.007121 -0.030070 1Rh 4py 0.064515 0.142492 -0.001161 -0.007560 -0.013284 0.112943 1Rh 5pz -0.070197 -0.172031 0.000316 -0.003156 0.006540 0.030146 1Rh 5px 0.006230 -0.039070 -0.002787 -0.001868 -0.002586 0.036023 1Rh 5py -0.049148 -0.106382 0.002462 0.009421 -0.029523 -0.129163 1Rh 6pz -0.086776 -0.167738 0.004579 -0.002917 -0.076320 -0.073723 1Rh 6px 0.101044 0.014604 0.016565 0.016538 -0.082699 0.014223 1Rh 6py 0.008754 -0.173061 -0.026346 -0.031987 0.467160 0.095384 1Rh 1dz2 -0.012780 0.002074 0.464835 0.456045 0.040062 0.083347 1Rh 1dxz -0.002835 0.000207 0.223394 0.225993 -0.035651 -0.110836 1Rh 1dyz -0.025809 0.005852 -0.238227 -0.234478 -0.216433 -0.229509 1Rh 1dx2y2 0.001383 0.001322 0.344043 0.355293 -0.226978 -0.212829 1Rh 1dxy -0.007478 0.004131 0.026947 0.015470 0.586083 0.567631 1Rh 2dz2 0.011286 -0.004145 -0.962788 -0.946556 -0.083390 -0.173655 1Rh 2dxz 0.002285 0.000405 -0.462898 -0.469251 0.074329 0.230986 1Rh 2dyz 0.022918 -0.010616 0.493542 0.486774 0.450688 0.478307 1Rh 2dx2y2 -0.001075 -0.001993 -0.712729 -0.737511 0.472496 0.443471 1Rh 2dxy 0.006769 -0.005179 -0.055870 -0.032158 -1.220483 -1.183076 1Rh 3dz2 0.018916 0.009177 0.877459 0.868248 0.077325 0.161172 1Rh 3dxz 0.005473 -0.003339 0.422169 0.430672 -0.069239 -0.214190 1Rh 3dyz 0.037631 0.020333 -0.450126 -0.446766 -0.417504 -0.443521 1Rh 3dx2y2 -0.002797 0.002420 0.649944 0.676617 -0.437501 -0.411247 1Rh 3dxy 0.010218 0.001903 0.051034 0.029628 1.130640 1.097067 1Rh 4dz2 -0.004318 -0.046162 -0.479452 -0.486137 -0.045188 -0.092970 1Rh 4dxz -0.007066 0.010768 -0.231274 -0.241335 0.041103 0.123026 1Rh 4dyz -0.006905 -0.110412 0.246782 0.250803 0.242620 0.253930 1Rh 4dx2y2 0.003547 -0.016341 -0.355954 -0.378527 0.254281 0.235188 1Rh 4dxy 0.000923 -0.028727 -0.027956 -0.017035 -0.657430 -0.627423 1Rh 5dz2 -0.220283 0.207943 0.218342 0.243103 0.028522 0.043970 1Rh 5dxz -0.023353 -0.026394 0.107578 0.120063 -0.025424 -0.066155 1Rh 5dyz -0.448729 0.522519 -0.115771 -0.128258 -0.146703 -0.126468 1Rh 5dx2y2 0.013653 0.084966 0.163772 0.187719 -0.157964 -0.107166 1Rh 5dxy -0.141301 0.186978 0.011214 0.010440 0.401429 0.301907 1Rh 1f0 -0.001538 -0.004187 0.001149 -0.002109 0.003324 -0.001106 1Rh 1f+1 -0.001408 -0.006147 -0.001440 0.002115 0.001705 -0.001668 1Rh 1f-1 -0.009991 -0.026318 -0.000818 0.001199 0.000258 -0.000442 1Rh 1f+2 0.004921 0.014912 -0.000665 0.000730 0.002837 -0.002336 1Rh 1f-2 -0.002784 -0.005532 0.000670 -0.001724 -0.004444 0.001576 1Rh 1f+3 -0.000896 -0.004749 0.001354 -0.002589 0.005295 -0.003928 1Rh 1f-3 -0.002231 -0.004328 0.000524 -0.001133 -0.010617 0.004917 2C 1s 0.000810 -0.004462 -0.000593 -0.000028 -0.000186 0.001541 2C 2s 0.000632 -0.004750 0.000262 0.000015 0.000104 -0.001116 2C 3s 0.036491 0.001960 0.008706 0.000618 -0.000371 0.039657 2C 4s -0.117306 0.416433 -0.040867 -0.002811 0.008266 -0.260387 2C 5s 0.124459 -0.488480 0.077098 -0.015219 0.030199 0.230744 2C 1pz -0.017942 0.027667 -0.002358 0.001395 -0.000096 0.001933 2C 1px 0.066994 -0.024277 -0.001903 -0.000103 0.000481 0.000177 2C 1py 0.013582 0.008710 0.005044 -0.001816 -0.001180 0.004426 2C 2pz 0.187953 0.147994 0.006303 -0.012597 0.013787 -0.142725 2C 2px -0.493398 0.283649 0.011143 0.001888 -0.011643 -0.023132 2C 2py -0.066728 0.157794 -0.044927 0.017218 0.016983 -0.113543 2C 3pz 0.027567 -0.097859 0.009551 0.017959 0.002319 0.062800 2C 3px -0.027783 -0.078575 0.001562 -0.013096 0.018116 0.014208 2C 3py 0.010701 -0.056018 0.000434 -0.030734 -0.013927 -0.005929 2C 1dz2 -0.041977 0.033123 -0.002613 0.000051 0.001538 -0.007412 2C 1dxz 0.074416 -0.027375 -0.001844 0.000846 -0.000486 -0.002734 2C 1dyz -0.008070 0.021991 0.000789 0.000312 0.000207 -0.002390 2C 1dx2y2 -0.001678 -0.011245 -0.001769 0.001301 -0.000992 0.000168 2C 1dxy 0.055615 -0.024656 0.000507 -0.001027 -0.000752 -0.001299 2C 2dz2 0.116918 0.017203 0.018559 0.001729 0.004719 -0.017674 2C 2dxz -0.075835 0.023571 0.005260 0.000254 0.003628 -0.010120 2C 2dyz -0.053379 0.115502 -0.018515 -0.000401 0.002807 -0.064565 2C 2dx2y2 -0.146379 0.026786 0.017747 0.000252 -0.000917 0.025271 2C 2dxy -0.099262 0.039569 0.004996 -0.003256 -0.002446 -0.004517 2C 1f0 -0.047492 0.043065 0.005269 0.000870 0.001470 0.000159 2C 1f+1 0.022731 0.026027 0.002307 -0.000909 -0.001313 -0.003152 2C 1f-1 -0.006266 0.015390 -0.001039 -0.000554 0.000569 -0.007600 2C 1f+2 0.035754 -0.053150 0.004612 -0.000356 0.000055 0.007047 2C 1f-2 0.031993 -0.016165 -0.000248 0.000562 -0.000775 -0.002794 2C 1f+3 0.025831 -0.017323 0.000456 0.001186 0.000446 -0.000262 2C 1f-3 -0.018816 0.042351 -0.003175 0.000187 -0.000227 -0.002918 3C 1s -0.000461 0.004144 0.000827 0.000238 0.000092 -0.003972 3C 2s -0.000507 0.004574 -0.000356 -0.000158 -0.000051 0.002831 3C 3s -0.004568 -0.022581 -0.014040 0.004584 -0.003350 -0.098144 3C 4s 0.034260 -0.359340 0.068386 -0.032064 0.024917 0.647035 3C 5s -0.054658 0.405110 -0.122481 0.044492 -0.009836 -0.759667 3C 1pz 0.010381 -0.011831 -0.005282 0.000796 -0.000166 -0.001376 3C 1px -0.028123 -0.011615 -0.000992 0.001450 -0.001609 -0.002683 3C 1py -0.005814 0.020453 -0.002370 0.000807 0.000049 0.008495 3C 2pz -0.083364 -0.102669 0.050914 -0.016746 0.004329 0.183424 3C 2px 0.216089 -0.073197 0.015606 -0.018243 0.038905 0.150372 3C 2py 0.052800 0.246079 -0.004743 0.007593 -0.012310 -0.379393 3C 3pz -0.011709 0.002460 -0.003950 0.016509 0.008118 -0.071835 3C 3px 0.008424 0.064535 -0.000049 0.036758 -0.057169 -0.077306 3C 3py 0.008620 -0.099324 0.015843 0.010532 -0.006783 0.143341 3C 1dz2 0.010988 0.001189 -0.002035 -0.000478 -0.000920 0.000460 3C 1dxz -0.017254 -0.013590 -0.001055 0.001101 -0.000038 0.006427 3C 1dyz -0.014783 0.014267 0.000914 0.000398 -0.000207 -0.010515 3C 1dx2y2 -0.014947 0.013620 -0.002778 0.000701 0.001364 -0.008739 3C 1dxy 0.025887 0.013410 -0.001019 0.001262 -0.003566 -0.008023 3C 2dz2 -0.024681 -0.004939 0.023292 0.001675 -0.001165 -0.038551 3C 2dxz -0.019402 -0.029734 0.013600 -0.000257 -0.001567 0.027880 3C 2dyz 0.011820 0.094931 -0.019345 0.003999 -0.006392 -0.132009 3C 2dx2y2 0.061525 0.064538 0.006105 0.007212 -0.002808 -0.074194 3C 2dxy -0.075248 0.026309 -0.006935 0.001066 -0.005117 -0.062421 3C 1f0 0.003134 -0.011753 0.000342 0.001264 -0.000733 -0.007632 3C 1f+1 0.010967 -0.025007 0.003413 -0.000698 0.000708 0.004084 3C 1f-1 -0.001967 0.003688 -0.005930 -0.000830 0.001189 -0.001203 3C 1f+2 -0.010034 0.005919 -0.002362 0.000271 0.002235 -0.014010 3C 1f-2 -0.001643 0.031947 -0.003538 0.001297 -0.002262 -0.014601 3C 1f+3 -0.011234 -0.036804 0.000500 0.000354 0.001683 0.013926 3C 1f-3 -0.018241 0.036158 0.002619 0.000750 0.001124 -0.010912 4C 1s -0.000531 -0.021976 0.000037 0.000078 0.000355 0.002531 4C 2s 0.001183 -0.048950 0.000026 -0.000050 -0.000225 -0.001045 4C 3s -0.076260 0.196575 -0.002730 0.000652 0.004544 -0.054223 4C 4s 0.244737 1.403210 0.017577 -0.005838 -0.028535 0.187481 4C 5s -0.025887 0.557298 -0.041929 -0.014366 -0.092500 -0.093771 4C 1pz 0.030473 0.049464 0.002363 -0.000175 0.000475 0.006957 4C 1px -0.115521 0.089400 0.001003 -0.000187 -0.003549 0.001282 4C 1py -0.025118 0.063856 -0.001313 0.000100 -0.000846 0.006274 4C 2pz 0.119550 0.532866 -0.026601 -0.001765 0.003385 -0.166225 4C 2px -0.252445 0.399653 -0.011535 0.005767 0.004469 0.003899 4C 2py -0.022189 0.463950 0.002442 -0.001493 0.002828 -0.088322 4C 3pz 0.123308 -0.250285 -0.019115 -0.026361 -0.021472 0.104144 4C 3px -0.104832 0.103325 -0.016199 0.008798 -0.040005 0.051949 4C 3py 0.033754 -0.117967 0.041965 -0.005213 -0.018739 0.150578 4C 1dz2 0.098010 -0.138130 -0.007324 0.002186 -0.000914 -0.009521 4C 1dxz -0.168616 -0.024206 -0.003408 -0.002504 0.003106 -0.004553 4C 1dyz 0.004823 -0.008888 0.005065 -0.002346 0.000750 -0.005394 4C 1dx2y2 -0.010749 0.188195 -0.006024 -0.002406 -0.000576 0.000581 4C 1dxy -0.127499 0.147739 -0.000489 0.004915 0.003699 -0.000461 4C 2dz2 0.372814 -0.442715 0.038695 -0.012266 -0.006842 0.069096 4C 2dxz -0.787983 0.088201 0.018782 0.016504 -0.001811 0.058466 4C 2dyz 0.023975 -0.208101 -0.015986 0.012587 0.002305 0.089398 4C 2dx2y2 0.056951 0.363906 0.020060 0.012052 0.016098 -0.024079 4C 2dxy -0.523891 0.344486 0.001959 -0.024318 -0.043409 0.027730 4C 1f0 0.321129 -0.143994 -0.005111 -0.004913 -0.007041 -0.005536 4C 1f+1 -0.327639 0.180783 -0.007654 0.005709 0.007210 -0.006437 4C 1f-1 0.077918 -0.034392 -0.000937 0.003015 0.005199 -0.007412 4C 1f+2 -0.215909 0.083938 -0.000310 0.002243 0.004214 0.004004 4C 1f-2 -0.374935 0.189160 0.006257 -0.003548 -0.004340 -0.000829 4C 1f+3 -0.330201 0.156969 -0.006284 -0.006653 -0.005897 -0.000677 4C 1f-3 -0.077806 0.052474 0.009785 -0.002207 0.000277 -0.005139 5C 1s -0.000603 0.022577 -0.000071 0.000402 -0.000035 -0.006368 5C 2s -0.001553 0.049115 -0.000033 -0.000178 -0.000046 0.002685 5C 3s 0.011632 -0.165733 0.007013 -0.007460 0.001981 0.157982 5C 4s 0.030720 -1.520381 -0.038344 0.024889 -0.005293 -0.568926 5C 5s 0.019716 -0.529877 0.054630 -0.016130 -0.034466 0.301106 5C 1pz -0.004297 -0.043438 0.001101 0.000319 -0.002470 -0.009748 5C 1px 0.019682 -0.029737 -0.000398 0.000315 0.007028 -0.006499 5C 1py -0.000617 0.071268 0.003127 -0.001008 0.002035 0.018411 5C 2pz 0.055994 -0.372081 0.001313 -0.010676 0.008601 0.197919 5C 2px -0.137155 -0.246881 0.011057 -0.000552 0.007578 0.146805 5C 2py -0.019674 0.630954 -0.039480 0.018268 -0.016880 -0.344141 5C 3pz -0.006876 0.110680 -0.051113 0.009765 -0.040206 -0.293673 5C 3px -0.030150 0.016850 -0.018187 -0.001964 0.080836 -0.125746 5C 3py 0.035911 -0.143442 -0.008887 -0.032927 0.043957 0.494708 5C 1dz2 -0.019333 0.097655 -0.007675 0.002695 0.001566 0.001632 5C 1dxz 0.018450 0.118646 -0.003905 -0.005271 -0.003135 0.011177 5C 1dyz 0.019791 0.039174 0.004922 0.001190 -0.004448 -0.017972 5C 1dx2y2 0.035455 -0.180172 -0.005135 0.000590 -0.004659 -0.015520 5C 1dxy -0.043767 -0.071135 -0.000485 -0.003476 0.006123 -0.012879 5C 2dz2 -0.095978 0.130943 0.033658 -0.017429 -0.003744 0.041982 5C 2dxz 0.152635 0.300771 0.011113 0.031315 -0.001504 -0.078439 5C 2dyz 0.132289 -0.075311 -0.011204 -0.010589 0.027603 0.228018 5C 2dx2y2 0.170812 -0.429762 0.034824 -0.004781 0.033310 0.147536 5C 2dxy -0.267992 -0.273676 0.010005 0.011399 -0.035616 0.135564 5C 1f0 -0.067540 -0.009864 -0.004918 -0.005440 0.005853 -0.002108 5C 1f+1 0.032701 -0.013576 -0.010230 0.004384 -0.006724 0.011400 5C 1f-1 0.061795 0.004261 0.000484 0.003292 -0.001017 -0.000492 5C 1f+2 0.163452 0.017541 0.005954 0.003236 -0.004708 -0.009589 5C 1f-2 -0.050794 0.012755 -0.000211 -0.002944 -0.002062 -0.020582 5C 1f+3 0.168211 -0.001908 0.002557 -0.007200 -0.000440 0.020561 5C 1f-3 0.146585 0.039657 -0.009568 -0.000552 -0.000326 -0.017429 6C 1s -0.001598 0.022496 -0.000071 -0.000403 0.000028 0.006332 6C 2s -0.003260 0.048996 -0.000033 0.000178 -0.000073 -0.002668 6C 3s 0.006511 -0.167419 0.006601 0.007368 -0.000241 -0.158554 6C 4s 0.108771 -1.507701 -0.036073 -0.024450 0.003904 0.572679 6C 5s 0.036377 -0.531370 0.054310 0.015945 -0.036275 -0.296681 6C 1pz -0.009648 0.042794 -0.001121 0.000312 0.002376 -0.009661 6C 1px 0.021169 0.031158 0.000403 0.000337 -0.007137 -0.006779 6C 1py 0.006715 -0.070792 -0.003125 -0.000999 -0.001856 0.018400 6C 2pz 0.011378 0.371583 -0.001081 -0.010505 -0.007687 0.197448 6C 2px -0.151266 0.247639 -0.011558 -0.001268 -0.003716 0.146313 6C 2py 0.051574 -0.629448 0.039383 0.018168 0.014294 -0.343427 6C 3pz -0.001592 -0.114346 0.050461 0.009198 0.035419 -0.296651 6C 3px -0.022423 -0.016074 0.017862 -0.002376 -0.081748 -0.131401 6C 3py 0.027788 0.149174 0.009674 -0.032381 -0.037282 0.501512 6C 1dz2 0.012875 0.098075 -0.007709 -0.002701 0.001573 -0.001543 6C 1dxz -0.033877 0.116972 -0.003916 0.005296 -0.003338 -0.011409 6C 1dyz -0.026100 0.038081 0.004915 -0.001185 -0.004323 0.017923 6C 1dx2y2 -0.021757 -0.180830 -0.005108 -0.000543 -0.004511 0.015469 6C 1dxy 0.053593 -0.068367 -0.000488 0.003453 0.006365 0.013021 6C 2dz2 0.092474 0.133034 0.033462 0.017356 -0.004321 -0.044408 6C 2dxz -0.194968 0.292263 0.011140 -0.031463 -0.001236 0.081402 6C 2dyz -0.131576 -0.080614 -0.011369 0.010617 0.024693 -0.228227 6C 2dx2y2 -0.138859 -0.432619 0.035016 0.004827 0.031747 -0.146207 6C 2dxy 0.309439 -0.261318 0.009752 -0.011578 -0.036306 -0.134567 6C 1f0 -0.072474 0.007173 0.004885 -0.005486 -0.005760 -0.001561 6C 1f+1 0.033977 0.014810 0.010304 0.004421 0.006822 0.011052 6C 1f-1 0.066920 -0.001870 -0.000492 0.003300 0.001042 -0.000868 6C 1f+2 0.175716 -0.011340 -0.005955 0.003273 0.004564 -0.009757 6C 1f-2 -0.053452 -0.015239 0.000178 -0.002953 0.001697 -0.020178 6C 1f+3 0.177019 0.008703 -0.002494 -0.007199 0.000695 0.021548 6C 1f-3 0.159521 -0.034098 0.009500 -0.000582 0.000041 -0.017272 7C 1s 0.002740 -0.021978 0.000032 -0.000079 0.000359 -0.002494 7C 2s 0.003269 -0.049043 0.000021 0.000051 -0.000228 0.001035 7C 3s 0.069604 0.199497 -0.002413 -0.000593 0.003880 0.054265 7C 4s -0.409674 1.396320 0.015957 0.005476 -0.025125 -0.189816 7C 5s -0.016621 0.560167 -0.038673 0.014250 -0.092265 0.097873 7C 1pz 0.043916 -0.048821 -0.002206 -0.000176 -0.000476 0.007009 7C 1px -0.139531 -0.091801 -0.000976 -0.000141 0.003524 0.000522 7C 1py -0.025904 -0.064582 0.001405 0.000114 0.000859 0.006092 7C 2pz 0.212763 -0.532224 0.023887 -0.001644 -0.003694 -0.161959 7C 2px -0.318664 -0.401813 0.011286 0.005185 -0.005166 0.005244 7C 2py 0.009109 -0.466718 -0.004041 -0.001639 -0.003233 -0.086103 7C 3pz 0.140985 0.251879 0.020357 -0.025878 0.018482 0.114866 7C 3px -0.136871 -0.104661 0.015939 0.008750 0.039829 0.044246 7C 3py 0.031792 0.118754 -0.041193 -0.004792 0.017883 0.154403 7C 1dz2 -0.106797 -0.140198 -0.007395 -0.002176 -0.000937 0.009868 7C 1dxz 0.209405 -0.020359 -0.003455 0.002530 0.003154 0.003902 7C 1dyz -0.004860 -0.008970 0.005015 0.002333 0.000710 0.005322 7C 1dx2y2 -0.004719 0.188448 -0.005967 0.002400 -0.000475 -0.000637 7C 1dxy 0.142507 0.150775 -0.000489 -0.004898 0.003754 -0.000039 7C 2dz2 -0.400158 -0.450071 0.038286 0.012088 -0.007059 -0.069439 7C 2dxz 0.934955 0.107484 0.018118 -0.016377 -0.002091 -0.053447 7C 2dyz -0.004920 -0.208951 -0.016566 -0.012602 0.002659 -0.087846 7C 2dx2y2 -0.105116 0.361814 0.020627 -0.012035 0.016386 0.023297 7C 2dxy 0.593812 0.356566 0.001914 0.024401 -0.043069 -0.026580 7C 1f0 0.370075 0.151445 0.005094 -0.004959 0.007064 -0.005487 7C 1f+1 -0.373849 -0.188504 0.007684 0.005729 -0.007122 -0.006575 7C 1f-1 0.091182 0.036132 0.000839 0.003023 -0.005176 -0.007263 7C 1f+2 -0.249755 -0.088816 0.000303 0.002292 -0.004302 0.004393 7C 1f-2 -0.432050 -0.198611 -0.006281 -0.003513 0.004338 -0.000675 7C 1f+3 -0.380628 -0.165699 0.006225 -0.006624 0.005901 0.000072 7C 1f-3 -0.086747 -0.054622 -0.009787 -0.002185 -0.000140 -0.004820 8C 1s 0.000095 0.004138 0.000811 -0.000237 0.000141 0.003996 8C 2s 0.000120 0.004559 -0.000349 0.000157 -0.000085 -0.002844 8C 3s 0.005011 -0.021375 -0.013802 -0.004557 -0.002316 0.098015 8C 4s 0.008284 -0.362217 0.067301 0.031932 0.018082 -0.646437 8C 5s 0.018974 0.413441 -0.119733 -0.043518 -0.000558 0.763966 8C 1pz 0.009872 0.012081 0.005275 0.000828 0.000150 -0.001445 8C 1px -0.030731 0.010504 0.000993 0.001435 0.001567 -0.002724 8C 1py -0.004563 -0.020498 0.002377 0.000814 0.000032 0.008423 8C 2pz -0.101182 0.100569 -0.050716 -0.017060 -0.002384 0.184381 8C 2px 0.218617 0.081901 -0.015526 -0.018058 -0.037194 0.150595 8C 2py 0.086120 -0.243937 0.004323 0.007481 0.008237 -0.379002 8C 3pz -0.011490 -0.004256 0.003764 0.017084 -0.008770 -0.073739 8C 3px 0.013714 -0.065767 0.000013 0.036279 0.056077 -0.078332 8C 3py -0.000585 0.100167 -0.015552 0.010944 0.008739 0.143968 8C 1dz2 -0.011564 0.000791 -0.002022 0.000469 -0.000927 -0.000455 8C 1dxz 0.019529 -0.012894 -0.001078 -0.001100 -0.000090 -0.006446 8C 1dyz 0.014259 0.014813 0.000924 -0.000398 -0.000113 0.010519 8C 1dx2y2 0.014346 0.014309 -0.002765 -0.000702 0.001494 0.008834 8C 1dxy -0.029362 0.012367 -0.001021 -0.001258 -0.003462 0.007949 8C 2dz2 0.025479 -0.003872 0.023313 -0.001721 -0.000891 0.038598 8C 2dxz 0.026626 -0.028384 0.013458 0.000198 -0.001913 -0.027654 8C 2dyz -0.022243 0.094697 -0.019231 -0.003893 -0.004933 0.132027 8C 2dx2y2 -0.071754 0.062782 0.006254 -0.007275 -0.002049 0.074642 8C 2dxy 0.074900 0.028746 -0.006910 -0.001150 -0.004394 0.062246 8C 1f0 0.002859 0.011694 -0.000361 0.001273 0.000630 -0.007694 8C 1f+1 0.009154 0.025259 -0.003406 -0.000687 -0.000669 0.004068 8C 1f-1 -0.002077 -0.003763 0.005927 -0.000847 -0.001224 -0.001187 8C 1f+2 -0.010382 -0.006506 0.002339 0.000261 -0.002393 -0.014046 8C 1f-2 0.001781 -0.031864 0.003514 0.001288 0.002097 -0.014567 8C 1f+3 -0.015765 0.036089 -0.000480 0.000364 -0.001557 0.013811 8C 1f-3 -0.016703 -0.036721 -0.002642 0.000766 -0.001235 -0.011016 9C 1s -0.000545 -0.004487 -0.000549 0.000026 -0.000176 -0.001522 9C 2s -0.000292 -0.004761 0.000245 -0.000014 0.000098 0.001100 9C 3s -0.043155 0.000067 0.007758 -0.000650 -0.000316 -0.038952 9C 4s 0.092894 0.422928 -0.036134 0.003017 0.007888 0.255615 9C 5s -0.110838 -0.491693 0.070101 0.014576 0.032976 -0.242488 9C 1pz -0.018517 -0.027971 0.002446 0.001393 0.000078 0.001696 9C 1px 0.076832 0.025953 0.001904 -0.000028 -0.000518 0.000266 9C 1py 0.016843 -0.008260 -0.004988 -0.001827 0.001230 0.004410 9C 2pz 0.240750 -0.142658 -0.008548 -0.012720 -0.013452 -0.137676 9C 2px -0.552380 -0.295670 -0.011543 0.001244 0.012212 -0.025047 9C 2py -0.058610 -0.162739 0.043557 0.017288 -0.017253 -0.112767 9C 3pz 0.024643 0.097061 -0.008856 0.018011 -0.002566 0.063094 9C 3px -0.032821 0.078047 -0.001457 -0.011476 -0.019031 0.019328 9C 3py 0.009788 0.058291 0.000058 -0.030866 0.013080 -0.002732 9C 1dz2 0.046696 0.034129 -0.002568 -0.000056 0.001580 0.007190 9C 1dxz -0.086619 -0.029199 -0.001821 -0.000856 -0.000466 0.002890 9C 1dyz 0.007435 0.022239 0.000825 -0.000305 0.000173 0.002351 9C 1dx2y2 0.003439 -0.011196 -0.001823 -0.001301 -0.000950 -0.000010 9C 1dxy -0.064081 -0.026009 0.000519 0.001012 -0.000775 0.001440 9C 2dz2 -0.137949 0.015124 0.019246 -0.001694 0.004377 0.016562 9C 2dxz 0.078208 0.023802 0.005514 -0.000332 0.003791 0.009522 9C 2dyz 0.049267 0.116560 -0.017724 0.000377 0.002899 0.064026 9C 2dx2y2 0.170411 0.030204 0.017327 -0.000472 -0.001003 -0.024313 9C 2dxy 0.116666 0.043780 0.005163 0.003240 -0.002632 0.004075 9C 1f0 -0.053413 -0.043996 -0.005328 0.000894 -0.001445 0.000320 9C 1f+1 0.030050 -0.025827 -0.002367 -0.000910 0.001335 -0.003215 9C 1f-1 -0.006498 -0.015776 0.000825 -0.000556 -0.000555 -0.007330 9C 1f+2 0.038326 0.054103 -0.004495 -0.000343 -0.000057 0.006993 9C 1f-2 0.039303 0.017049 0.000169 0.000546 0.000775 -0.002960 9C 1f+3 0.031472 0.018595 -0.000482 0.001187 -0.000452 -0.000404 9C 1f-3 -0.018123 -0.042733 0.003150 0.000197 0.000211 -0.002897 10H 1s 0.076167 -0.056008 0.001051 -0.000024 -0.000044 0.002134 10H 2s 0.249869 -0.124848 -0.005501 -0.002507 0.010413 -0.005835 10H 3s -0.025706 0.077317 -0.010172 0.014661 -0.019272 -0.016659 10H 1pz 0.076669 -0.032289 -0.000684 -0.000107 0.001769 0.000923 10H 1px -0.060044 0.048853 0.000247 0.000882 -0.002263 -0.000241 10H 1py 0.037266 -0.012865 -0.001256 0.000045 0.001148 -0.000052 11H 1s -0.022577 0.021174 0.001747 0.000031 -0.000755 -0.001659 11H 2s -0.032210 0.039260 0.006647 -0.011402 -0.008069 0.007576 11H 3s -0.012787 -0.007712 -0.020928 0.025201 0.009386 -0.003111 11H 1pz -0.008020 -0.000822 0.005223 -0.001588 -0.001793 0.007443 11H 1px -0.011382 0.014707 0.002124 -0.001853 -0.001004 0.000405 11H 1py -0.007089 -0.009101 0.001528 0.001349 0.000899 0.004437 12H 1s -0.040475 0.019314 0.001294 -0.000037 0.000730 0.000307 12H 2s -0.079317 0.033266 -0.011630 0.015732 0.005418 -0.005967 12H 3s -0.006775 0.021143 -0.007999 -0.038194 -0.021457 -0.028529 12H 1pz -0.011849 -0.000000 -0.003215 -0.001456 -0.001316 0.000462 12H 1px -0.021040 0.011596 -0.000780 0.001802 0.000705 -0.000551 12H 1py -0.026766 0.005026 -0.004162 0.003455 0.001014 0.000400 13H 1s -0.029842 0.014794 -0.001676 0.000345 -0.001160 -0.006557 13H 2s -0.095030 0.006769 0.008726 0.003531 -0.011572 -0.020329 13H 3s 0.014630 -0.061177 0.014171 -0.023398 0.026709 0.075879 13H 1pz -0.028480 0.004829 0.001795 0.000996 -0.002641 -0.009219 13H 1px 0.016459 -0.016577 0.000324 -0.001310 0.002048 0.002156 13H 1py 0.025035 0.006841 -0.001214 -0.000088 0.002512 0.006166 14H 1s 0.019472 0.004268 -0.002076 0.000094 0.000399 -0.001605 14H 2s 0.037562 0.008626 0.011600 -0.011998 0.016550 0.005174 14H 3s 0.001292 -0.028549 0.016244 0.035551 -0.033334 0.047773 14H 1pz 0.007724 0.008809 0.003175 -0.000730 0.002019 -0.008091 14H 1px 0.014965 0.005671 0.001849 -0.002699 0.004246 -0.000701 14H 1py -0.007655 -0.000592 -0.002869 -0.001823 0.000056 0.006655 15H 1s 0.007866 -0.012134 -0.002409 -0.000176 -0.000257 0.004575 15H 2s 0.006611 -0.030936 -0.003843 0.008939 0.005528 0.032738 15H 3s 0.005102 0.017470 0.026528 -0.022056 -0.007675 0.030693 15H 1pz 0.000455 0.018736 -0.001179 -0.001324 -0.000991 -0.009941 15H 1px 0.003657 -0.001944 -0.001856 0.000421 0.000528 0.000326 15H 1py -0.002726 0.000249 0.005321 -0.001964 -0.000736 0.002984 16H 1s 0.082161 0.102321 0.001154 -0.001463 0.001043 -0.001001 16H 2s 0.171148 0.014112 -0.012652 0.016506 -0.030318 0.031854 16H 3s -0.022298 -0.030946 0.000288 0.000768 -0.015543 0.015143 16H 1pz 0.094093 0.045485 -0.004800 0.006178 -0.008722 0.009408 16H 1px -0.016320 0.012074 -0.000722 0.000986 0.003590 -0.001497 16H 1py 0.039483 0.020640 0.002012 -0.002327 0.003673 -0.002838 17H 1s -0.062491 -0.114931 0.002891 -0.003425 0.000390 -0.000850 17H 2s -0.134141 -0.111895 -0.016616 0.021251 -0.037736 0.041571 17H 3s -0.015189 0.037485 0.001428 0.000669 -0.044993 0.031922 17H 1pz 0.041364 0.062481 0.004651 -0.005949 0.000970 -0.004094 17H 1px 0.053793 0.049132 0.003087 -0.004061 0.016359 -0.012076 17H 1py -0.039178 -0.044544 0.000472 -0.000290 0.002645 -0.001721 18H 1s 0.066846 -0.111639 0.003102 0.003662 0.000416 0.000634 18H 2s 0.124764 -0.111495 -0.017213 -0.021977 -0.037897 -0.040449 18H 3s 0.013800 0.036960 0.001636 -0.000546 -0.044326 -0.035130 18H 1pz 0.043257 -0.063120 -0.004691 -0.006010 -0.001137 -0.003431 18H 1px 0.051491 -0.048142 -0.003229 -0.004235 -0.016177 -0.012519 18H 1py -0.035939 0.040963 -0.000439 -0.000244 -0.002836 -0.002035 19H 1s -0.097071 0.100927 0.000913 0.001175 0.001000 0.001221 19H 2s -0.194016 0.007212 -0.011752 -0.015329 -0.031088 -0.029373 19H 3s 0.027414 -0.031084 0.000072 -0.001011 -0.017239 -0.010028 19H 1pz 0.107563 -0.041936 0.004581 0.005878 0.009041 0.008646 19H 1px -0.018541 -0.011955 0.000816 0.001069 -0.003976 -0.000137 19H 1py 0.048250 -0.021350 -0.002028 -0.002352 -0.003552 -0.002541 20H 1s -0.007062 -0.012131 -0.002361 0.000173 -0.000315 -0.004499 20H 2s -0.004271 -0.030836 -0.004000 -0.009174 0.005198 -0.032100 20H 3s -0.007213 0.016043 0.026086 0.022511 -0.008177 -0.031636 20H 1pz 0.002301 -0.018453 0.001172 -0.001376 0.000878 -0.009849 20H 1px 0.004186 0.002231 0.001869 0.000446 -0.000542 0.000476 20H 1py -0.003091 -0.000107 -0.005336 -0.001983 0.000779 0.003199 21H 1s -0.021436 0.003309 -0.002038 -0.000084 0.000414 0.001431 21H 2s -0.041459 0.006341 0.011576 0.012110 0.016382 -0.005784 21H 3s 0.001702 -0.028223 0.015748 -0.035687 -0.033766 -0.045934 21H 1pz 0.009103 -0.008495 -0.003194 -0.000762 -0.002114 -0.008088 21H 1px 0.016361 -0.004761 -0.001869 -0.002709 -0.004214 -0.000498 21H 1py -0.008055 0.000602 0.002889 -0.001835 -0.000014 0.006854 22H 1s 0.030594 0.016086 -0.001643 -0.000349 -0.001074 0.006641 22H 2s 0.101700 0.010426 0.008561 -0.003338 -0.011408 0.020107 22H 3s -0.010214 -0.062232 0.013870 0.022823 0.025912 -0.076012 22H 1pz -0.029526 -0.005794 -0.001758 0.000956 0.002538 -0.009060 22H 1px 0.016510 0.017304 -0.000313 -0.001274 -0.002044 0.002236 22H 1py 0.027518 -0.005808 0.001178 -0.000087 -0.002454 0.006130 23H 1s 0.045324 0.020386 0.001177 0.000050 0.000728 -0.000175 23H 2s 0.086866 0.034820 -0.011417 -0.015874 0.005632 0.007488 23H 3s 0.006412 0.020161 -0.006853 0.037986 -0.021337 0.027089 23H 1pz -0.013508 0.000305 0.003240 -0.001451 0.001259 0.000433 23H 1px -0.022992 -0.012075 0.000793 0.001760 -0.000675 -0.000802 23H 1py -0.030140 -0.005613 0.004212 0.003495 -0.001109 0.000013 24H 1s 0.025766 0.021732 0.001613 -0.000036 -0.000784 0.001626 24H 2s 0.036619 0.039486 0.006959 0.011622 -0.008533 -0.007394 24H 3s 0.014381 -0.006422 -0.019758 -0.025877 0.009613 0.003840 24H 1pz -0.010112 0.000809 -0.005212 -0.001588 0.001865 0.007376 24H 1px -0.012617 -0.014994 -0.002132 -0.001927 0.001124 0.000317 24H 1py -0.009249 0.008320 -0.001543 0.001366 -0.000883 0.004344 25H 1s -0.086639 -0.058222 0.000959 0.000017 -0.000024 -0.002243 25H 2s -0.285012 -0.131817 -0.005079 0.002396 0.010702 0.003973 25H 3s 0.023599 0.078527 -0.009287 -0.013619 -0.020052 0.020459 25H 1pz 0.088256 0.034662 0.000621 -0.000112 -0.001818 0.001327 25H 1px -0.067313 -0.050581 -0.000248 0.000818 0.002326 -0.000594 25H 1py 0.042454 0.013187 0.001200 0.000035 -0.001157 0.000057 26O 1s 0.003693 -0.007566 -0.000017 0.000017 -0.000042 -0.000045 26O 2s 0.013400 -0.025586 -0.000009 0.000006 -0.000033 -0.000079 26O 3s -0.177482 0.329276 0.000076 0.000037 -0.000933 0.003155 26O 4s 0.610731 -0.702137 -0.000381 -0.000283 0.017264 0.000530 26O 5s -0.156068 -1.183301 0.018507 -0.004855 -0.027265 -0.067487 26O 1pz -0.070827 -0.000260 0.000787 0.003716 0.004287 0.001213 26O 1px 0.094741 -0.142500 0.001043 0.002004 -0.002925 -0.001295 26O 1py -0.008453 -0.052342 -0.001254 -0.005922 -0.000492 0.000168 26O 2pz 0.426297 -0.064357 -0.007172 -0.011893 -0.013629 -0.007411 26O 2px -0.415281 0.633592 -0.007620 -0.005359 0.003017 0.016010 26O 2py 0.107663 0.193794 0.009199 0.019041 -0.001831 0.003712 26O 3pz -0.197135 0.045700 0.040783 -0.033287 -0.042156 -0.032056 26O 3px -0.177586 0.496246 0.023968 -0.024561 -0.031679 -0.008582 26O 3py -0.188745 0.207612 -0.056463 0.045314 0.052687 -0.031637 26O 1dz2 0.196565 -0.164422 -0.007538 0.009674 0.008977 0.000923 26O 1dxz 0.136910 0.149743 -0.003649 0.003129 -0.003548 0.000475 26O 1dyz 0.270386 0.061239 0.003892 -0.005689 -0.005746 0.001552 26O 1dx2y2 -0.171630 0.161960 -0.005241 0.005074 -0.002892 0.002743 26O 1dxy 0.031303 0.257759 -0.000784 0.002617 0.004420 -0.002949 26O 2dz2 -0.301921 0.278943 0.021556 -0.026097 -0.021777 0.002229 26O 2dxz -0.428120 -0.089614 0.013636 -0.006704 0.014033 0.001499 26O 2dyz -0.447847 -0.033799 -0.010148 0.015838 0.010957 -0.002138 26O 2dx2y2 0.379635 -0.331199 0.019351 -0.011753 0.011957 -0.012008 26O 2dxy -0.104065 -0.355122 -0.001660 -0.009749 -0.010418 0.001027 26O 1f0 -0.194739 0.025253 0.004185 -0.002970 -0.004183 0.004120 26O 1f+1 0.185430 -0.151302 0.001979 -0.002807 0.001919 -0.002797 26O 1f-1 -0.002660 -0.050107 0.000228 -0.001849 -0.000741 -0.000269 26O 1f+2 0.117069 0.005524 0.002153 -0.005105 -0.000532 -0.002526 26O 1f-2 0.248833 -0.054909 0.000334 -0.001422 -0.000098 -0.000308 26O 1f+3 0.203389 -0.098225 0.001282 0.003807 0.002631 0.000040 26O 1f-3 0.020209 -0.131997 -0.002132 0.000754 -0.002880 0.000127 27O 1s -0.001171 0.005302 -0.000014 -0.000124 -0.000051 0.000591 27O 2s -0.004261 0.017315 -0.000021 -0.000142 -0.000076 0.000504 27O 3s 0.056684 -0.216506 0.000375 0.003035 0.005340 -0.011544 27O 4s -0.247794 0.349953 -0.001591 -0.008786 -0.061612 0.005577 27O 5s 0.242070 1.131698 -0.014946 0.011139 0.152554 0.063696 27O 1pz 0.021365 0.013860 0.001646 0.006330 -0.005831 -0.002035 27O 1px -0.025738 0.099367 -0.000413 0.001161 0.005650 0.002819 27O 1py -0.022004 -0.049024 0.000919 0.004018 0.005734 0.003821 27O 2pz -0.127286 -0.053848 -0.011257 -0.021289 0.018547 0.009228 27O 2px 0.109759 -0.436851 0.001887 -0.002268 -0.001487 -0.034271 27O 2py 0.143757 0.215538 -0.008694 -0.012352 -0.024237 -0.007417 27O 3pz 0.060619 0.050907 0.053755 -0.042966 0.057903 0.053349 27O 3px -0.045201 -0.354972 0.008598 -0.004991 0.006960 0.078977 27O 3py -0.085519 -0.001805 0.041662 -0.031855 -0.022154 -0.108044 27O 1dz2 0.029863 0.184047 -0.007316 0.009820 -0.007337 0.000563 27O 1dxz -0.052941 -0.103836 -0.003336 0.001835 0.004447 0.000337 27O 1dyz 0.114120 0.081651 0.003888 -0.004539 0.003052 0.006563 27O 1dx2y2 0.059702 -0.101891 -0.005369 0.006156 0.003957 0.005935 27O 1dxy 0.079815 0.306462 -0.000581 -0.000621 -0.003166 -0.003682 27O 2dz2 -0.037391 -0.268352 0.020288 -0.026594 0.018426 -0.009602 27O 2dxz 0.151320 0.138162 0.014999 -0.001325 -0.014883 -0.008778 27O 2dyz -0.143241 -0.099081 -0.012299 0.011499 -0.014352 -0.012424 27O 2dx2y2 -0.121651 0.192269 0.016879 -0.016845 -0.017732 0.004624 27O 2dxy -0.201965 -0.433016 0.005511 0.003965 0.011838 0.009595 27O 1f0 0.044273 0.014974 0.001748 0.001677 0.002278 -0.003860 27O 1f+1 -0.001790 0.088466 0.002187 -0.002175 0.001324 0.001326 27O 1f-1 -0.041555 -0.040264 -0.003928 0.005229 -0.003849 0.001993 27O 1f+2 -0.080809 -0.043389 -0.000813 -0.003131 -0.001316 0.003549 27O 1f-2 0.048926 0.001687 -0.000877 0.003293 0.002449 -0.000133 27O 1f+3 -0.085851 0.047600 -0.000387 0.003012 -0.001703 0.003125 27O 1f-3 -0.095448 -0.149555 0.003210 -0.000895 -0.005664 0.003372 28O 1s -0.004124 -0.002820 0.000049 -0.000004 0.000044 -0.000115 28O 2s -0.015169 -0.008413 0.000054 0.000006 0.000057 0.000005 28O 3s 0.219857 0.090847 -0.001001 -0.000487 0.000223 -0.001469 28O 4s -0.822105 0.037298 0.003214 0.002265 -0.023341 0.022209 28O 5s 0.003874 -0.927642 0.003635 0.019199 0.103660 0.021166 28O 1pz -0.004832 -0.077285 0.000819 -0.003719 -0.002088 0.001090 28O 1px 0.103729 0.010493 0.000348 -0.002403 -0.004411 0.000867 28O 1py 0.038036 -0.044154 -0.001346 0.006027 -0.000734 0.002060 28O 2pz -0.011060 0.355808 -0.007651 0.010763 0.010350 -0.006662 28O 2px -0.576736 0.003771 -0.002888 0.009709 0.011106 -0.000493 28O 2py -0.231799 0.222508 0.010380 -0.019771 0.005181 -0.005244 28O 3pz 0.303081 0.001602 0.034595 0.022394 0.043267 -0.052234 28O 3px -0.118675 -0.204224 0.022149 0.023360 0.047219 0.035379 28O 3py 0.136349 -0.068248 -0.049480 -0.044465 -0.051376 -0.038500 28O 1dz2 -0.174179 0.256666 -0.007266 -0.007900 -0.000823 0.001100 28O 1dxz -0.095785 -0.154041 -0.003318 -0.004965 -0.008516 0.001977 28O 1dyz -0.254026 0.284440 0.003933 0.003811 -0.000302 0.000647 28O 1dx2y2 0.121089 -0.037205 -0.005173 -0.007365 -0.007632 -0.003333 28O 1dxy -0.024109 -0.071885 -0.000742 0.001215 0.005077 0.005315 28O 2dz2 0.424000 -0.432637 0.024451 0.019394 -0.002726 0.000919 28O 2dxz 0.145692 0.252102 0.007758 0.013821 0.022789 -0.003952 28O 2dyz 0.432161 -0.416412 -0.014581 -0.008071 0.006396 -0.000049 28O 2dx2y2 -0.354471 0.108463 0.013498 0.021293 0.017465 0.004007 28O 2dxy -0.100342 0.171098 0.007055 -0.006326 -0.011294 -0.012140 28O 1f0 -0.187257 0.080104 0.003467 0.006330 0.000083 -0.001042 28O 1f+1 0.184338 -0.207105 0.003073 -0.000429 0.002652 0.003279 28O 1f-1 -0.123888 0.072741 0.001031 -0.000141 -0.000946 0.000836 28O 1f+2 0.140290 0.013188 0.002484 0.003337 0.002314 0.002223 28O 1f-2 0.202809 -0.168253 -0.000820 0.003617 0.003543 -0.000408 28O 1f+3 0.169096 -0.075954 0.000155 0.000139 -0.002613 -0.001269 28O 1f-3 0.036922 -0.061915 -0.002936 0.000349 0.001318 0.000046 29O 1s -0.000087 0.000008 -0.000123 0.000182 -0.000853 0.000683 29O 2s -0.000453 0.000337 -0.000090 0.000135 -0.000720 0.000572 29O 3s 0.009514 -0.011653 0.000325 -0.000642 0.010744 -0.007764 29O 4s -0.017225 0.027147 -0.000150 -0.000015 -0.032653 0.021764 29O 5s -0.064511 0.073418 0.022514 -0.027684 0.106140 -0.089670 29O 1pz -0.031381 -0.037678 0.000401 -0.000584 -0.000768 0.000211 29O 1px -0.008298 -0.017222 -0.000406 0.000545 0.000885 0.001163 29O 1py -0.001887 0.007017 0.000450 -0.000263 0.008414 -0.005956 29O 2pz 0.188551 0.169860 -0.001842 0.002499 0.000510 0.002015 29O 2px 0.053780 0.085693 0.003960 -0.005197 0.000690 -0.006761 29O 2py 0.005486 -0.041710 -0.004276 0.004724 -0.025221 0.017380 29O 3pz 0.064689 -0.019116 0.000931 0.000106 0.003736 -0.005263 29O 3px 0.044710 -0.011644 0.000369 -0.002914 0.014513 -0.019913 29O 3py -0.013604 -0.026988 -0.011354 0.015131 -0.017545 0.045280 29O 1dz2 0.035092 0.048109 0.003384 -0.004045 -0.002705 0.002671 29O 1dxz -0.013212 -0.040331 0.001492 -0.001610 -0.000803 0.000707 29O 1dyz 0.066260 0.096959 -0.001638 0.002032 0.006153 -0.005921 29O 1dx2y2 -0.013906 -0.002440 0.002775 -0.003377 0.006887 -0.007412 29O 1dxy 0.024223 0.046488 0.000139 -0.000419 -0.012118 0.011443 29O 2dz2 -0.084784 -0.079366 -0.005596 0.006453 0.007951 -0.008117 29O 2dxz 0.048458 0.085439 -0.001989 0.001742 0.004204 -0.004122 29O 2dyz -0.141263 -0.155255 0.003374 -0.004189 -0.012773 0.011876 29O 2dx2y2 0.025851 0.012167 -0.005854 0.007248 -0.016368 0.017911 29O 2dxy -0.051621 -0.080873 -0.001942 0.003127 0.020970 -0.019719 29O 1f0 0.009601 -0.008525 -0.000984 0.001172 -0.000073 0.000199 29O 1f+1 0.009869 0.004235 0.000983 -0.001203 -0.001023 0.001126 29O 1f-1 0.038536 0.029398 0.000526 -0.000523 -0.002705 0.001884 29O 1f+2 -0.018998 -0.016263 0.000665 -0.000785 -0.002211 0.001227 29O 1f-2 -0.036837 -0.054128 -0.000649 0.000852 0.003609 -0.003125 29O 1f+3 0.015865 0.018896 -0.000996 0.001049 -0.002800 0.002526 29O 1f-3 0.017912 0.023040 -0.000375 0.000506 0.008028 -0.006912 30O 1s 0.000969 0.005332 -0.000087 -0.000086 0.000157 0.000460 30O 2s 0.003565 0.017691 -0.000092 -0.000071 0.000149 0.000469 30O 3s -0.049896 -0.224577 0.001781 0.001268 -0.005727 -0.012049 30O 4s 0.258966 0.403171 -0.008590 -0.002736 0.053206 0.005181 30O 5s -0.307419 1.118147 0.012371 0.010994 -0.142749 0.135704 30O 1pz -0.002630 0.060672 0.001361 -0.005624 -0.000051 -0.000772 30O 1px -0.035897 -0.059883 0.000093 -0.001102 0.010381 -0.005393 30O 1py 0.013355 -0.073815 0.001014 -0.004481 -0.002706 0.001633 30O 2pz 0.025886 -0.271436 -0.009972 0.017973 -0.005952 -0.009607 30O 2px 0.193348 0.278927 -0.001782 0.003595 -0.024326 0.041225 30O 2py -0.096285 0.315072 -0.008785 0.014163 0.015606 0.006249 30O 3pz -0.013698 -0.117186 0.060106 0.047961 -0.041255 0.068129 30O 3px -0.105135 0.310573 0.009894 0.011556 -0.020422 0.012279 30O 3py 0.055185 0.103557 0.036663 0.036359 -0.001843 -0.095645 30O 1dz2 -0.028095 -0.015792 -0.007407 -0.007954 -0.000904 0.001142 30O 1dxz 0.023280 0.116164 -0.003579 -0.005670 0.008633 -0.002632 30O 1dyz -0.144885 0.284990 0.003950 0.004749 0.002719 0.001785 30O 1dx2y2 -0.103929 0.124711 -0.005116 -0.006457 0.002692 -0.001646 30O 1dxy -0.044106 -0.146483 -0.000450 -0.002850 -0.003200 0.006269 30O 2dz2 -0.008395 0.005279 0.025735 0.018943 0.007790 -0.009009 30O 2dxz -0.050136 -0.203124 0.006545 0.018084 -0.025617 -0.006889 30O 2dyz 0.238002 -0.390556 -0.012359 -0.012574 -0.005912 -0.008203 30O 2dx2y2 0.245682 -0.139963 0.015817 0.016449 -0.006746 0.016298 30O 2dxy 0.036359 0.242199 -0.002420 0.009023 0.015635 -0.001533 30O 1f0 0.007970 0.051097 0.000988 0.001959 -0.000745 0.002960 30O 1f+1 -0.016676 0.039313 0.003388 -0.000916 -0.000886 -0.003448 30O 1f-1 -0.044782 0.019966 -0.003067 -0.007193 -0.001347 -0.002090 30O 1f+2 -0.100553 0.003492 -0.000272 0.001395 -0.005550 -0.004717 30O 1f-2 0.052857 -0.129049 -0.001648 -0.000939 0.004943 0.001371 30O 1f+3 -0.097723 0.078425 -0.001628 0.000818 -0.003853 -0.005213 30O 1f-3 -0.078761 -0.046409 0.002887 0.001742 -0.001736 -0.003208 31O 1s -0.001624 0.005259 -0.000090 0.000090 0.000143 -0.000436 31O 2s -0.005766 0.017427 -0.000095 0.000074 0.000131 -0.000448 31O 3s 0.078355 -0.220779 0.001850 -0.001344 -0.005253 0.011592 31O 4s -0.319683 0.389283 -0.008753 0.002968 0.052033 -0.002200 31O 5s 0.197391 1.115660 0.012287 -0.011187 -0.148033 -0.148460 31O 1pz 0.003851 -0.060287 -0.001375 -0.005610 0.000066 -0.000564 31O 1px -0.045118 0.058202 -0.000093 -0.001098 -0.010475 -0.005729 31O 1py 0.006632 0.073704 -0.001006 -0.004479 0.002688 0.001741 31O 2pz 0.000138 0.269605 0.009989 0.017933 0.005380 -0.010151 31O 2px 0.237706 -0.269104 0.001807 0.003554 0.025411 0.042334 31O 2py -0.068541 -0.315277 0.008770 0.014131 -0.015028 0.005946 31O 3pz -0.040119 0.114073 -0.060336 0.048729 0.040528 0.063319 31O 3px -0.069967 -0.309902 -0.009710 0.011486 0.022505 0.013784 31O 3py 0.073187 -0.098250 -0.036135 0.036187 0.002370 -0.102282 31O 1dz2 0.019645 -0.014670 -0.007394 0.007961 -0.000948 -0.001249 31O 1dxz -0.040927 0.114538 -0.003572 0.005715 0.008599 0.001863 31O 1dyz 0.126219 0.287887 0.003940 -0.004764 0.002659 -0.001400 31O 1dx2y2 0.094358 0.126826 -0.005113 0.006481 0.002756 0.001382 31O 1dxy 0.064549 -0.143736 -0.000451 0.002868 -0.003206 -0.007020 31O 2dz2 0.021278 0.005671 0.025710 -0.018954 0.007997 0.008971 31O 2dxz 0.078377 -0.199485 0.006546 -0.018206 -0.025174 0.008710 31O 2dyz -0.213238 -0.395856 -0.012332 0.012600 -0.005581 0.007622 31O 2dx2y2 -0.243528 -0.147358 0.015785 -0.016499 -0.007089 -0.015976 31O 2dxy -0.067718 0.238563 -0.002447 -0.009047 0.015300 0.003703 31O 1f0 0.014418 -0.050477 -0.000981 0.001950 0.000793 0.003173 31O 1f+1 -0.016859 -0.039679 -0.003389 -0.000922 0.000865 -0.003381 31O 1f-1 -0.044645 -0.021516 0.003056 -0.007212 0.001343 -0.001753 31O 1f+2 -0.107276 -0.007332 0.000272 0.001394 0.005491 -0.004824 31O 1f-2 0.043123 0.129942 0.001635 -0.000933 -0.004990 0.001393 31O 1f+3 -0.094484 -0.081264 0.001631 0.000802 0.003809 -0.004998 31O 1f-3 -0.090434 0.043002 -0.002892 0.001743 0.001675 -0.003058 32O 1s 0.000204 -0.000031 -0.000122 -0.000182 -0.000860 -0.000661 32O 2s 0.000918 0.000237 -0.000090 -0.000134 -0.000726 -0.000556 32O 3s -0.018159 -0.010765 0.000334 0.000658 0.010806 0.007605 32O 4s 0.037143 0.025311 -0.000178 -0.000035 -0.032799 -0.020949 32O 5s 0.083904 0.079518 0.022306 0.027382 0.106986 0.084775 32O 1pz -0.035809 0.036953 -0.000389 -0.000592 0.000873 0.000647 32O 1px -0.008151 0.016689 0.000404 0.000531 -0.000845 0.001377 32O 1py -0.004310 -0.005968 -0.000446 -0.000265 -0.008487 -0.005702 32O 2pz 0.210231 -0.165712 0.001362 0.001949 -0.000825 0.000707 32O 2px 0.050857 -0.083559 -0.004078 -0.005307 -0.000838 -0.007101 32O 2py 0.020620 0.037342 0.004250 0.004700 0.025450 0.016436 32O 3pz 0.065709 0.020625 -0.001301 -0.000575 -0.003203 -0.008171 32O 3px 0.046190 0.011763 -0.000494 -0.003173 -0.014785 -0.020796 32O 3py -0.004657 0.029942 0.011219 0.014917 0.017711 0.044182 32O 1dz2 -0.039866 0.045624 0.003408 0.004076 -0.002823 -0.003356 32O 1dxz 0.014175 -0.040905 0.001476 0.001560 -0.000833 0.000470 32O 1dyz -0.075948 0.095870 -0.001604 -0.001984 0.006067 0.006331 32O 1dx2y2 0.016311 -0.003114 0.002766 0.003352 0.006934 0.007706 32O 1dxy -0.026414 0.044275 0.000164 0.000441 -0.012228 -0.010939 32O 2dz2 0.093997 -0.072982 -0.005731 -0.006632 0.008284 0.009306 32O 2dxz -0.051674 0.086408 -0.001874 -0.001527 0.004342 0.001655 32O 2dyz 0.159037 -0.152782 0.003168 0.003913 -0.012422 -0.013019 32O 2dx2y2 -0.032111 0.014067 -0.005793 -0.007142 -0.016459 -0.018430 32O 2dxy 0.051800 -0.076603 -0.002028 -0.003210 0.021222 0.018767 32O 1f0 0.010718 0.010041 0.000951 0.001116 -0.000113 0.000222 32O 1f+1 0.009591 -0.005717 -0.001027 -0.001267 0.001088 0.001461 32O 1f-1 0.046367 -0.027551 -0.000535 -0.000536 0.002756 0.001941 32O 1f+2 -0.023084 0.015398 -0.000665 -0.000776 0.002003 0.000832 32O 1f-2 -0.038773 0.053693 0.000649 0.000859 -0.003567 -0.003350 32O 1f+3 0.014407 -0.016149 0.000994 0.001044 0.002913 0.002679 32O 1f-3 0.019676 -0.022743 0.000386 0.000504 -0.008161 -0.006553 33O 1s 0.005415 -0.002737 0.000043 0.000005 0.000038 0.000125 33O 2s 0.019673 -0.008097 0.000046 -0.000005 0.000050 0.000008 33O 3s -0.281288 0.086151 -0.000832 0.000444 0.000387 0.000846 33O 4s 0.991262 0.056140 0.002534 -0.002174 -0.023954 -0.016346 33O 5s 0.145652 -0.930397 0.003089 -0.017859 0.102657 -0.030248 33O 1pz -0.015003 0.077134 -0.000793 -0.003729 0.002091 0.000876 33O 1px 0.127648 -0.008335 -0.000378 -0.002366 0.004396 0.000039 33O 1py 0.041036 0.045113 0.001347 0.006037 0.000740 0.001562 33O 2pz 0.027093 -0.355931 0.007316 0.010943 -0.010587 -0.004533 33O 2px -0.701116 -0.016300 0.003191 0.009455 -0.010845 0.000826 33O 2py -0.255998 -0.228435 -0.010452 -0.019753 -0.005223 -0.003369 33O 3pz 0.366047 0.002443 -0.034473 0.022238 -0.043529 -0.049813 33O 3px -0.180814 0.204289 -0.021554 0.023040 -0.046450 0.033815 33O 3py 0.150658 0.070602 0.049417 -0.044726 0.051144 -0.033917 33O 1dz2 0.175301 0.259293 -0.007273 0.007918 -0.000837 -0.001463 33O 1dxz 0.143219 -0.152768 -0.003318 0.004944 -0.008470 -0.001421 33O 1dyz 0.265340 0.290841 0.003930 -0.003821 -0.000279 -0.000727 33O 1dx2y2 -0.145490 -0.039385 -0.005142 0.007383 -0.007608 0.002860 33O 1dxy 0.040025 -0.071314 -0.000736 -0.001234 0.005066 -0.004753 33O 2dz2 -0.453552 -0.440724 0.024475 -0.019439 -0.002692 0.000014 33O 2dxz -0.216522 0.250148 0.007834 -0.013825 0.022812 0.001688 33O 2dyz -0.461958 -0.427364 -0.014553 0.008119 0.006352 -0.000027 33O 2dx2y2 0.419737 0.116049 0.013360 -0.021292 0.017337 -0.002813 33O 2dxy 0.098543 0.173839 0.007069 0.006372 -0.011276 0.010018 33O 1f0 -0.216767 -0.083645 -0.003444 0.006340 -0.000084 -0.001289 33O 1f+1 0.198742 0.211315 -0.003078 -0.000464 -0.002627 0.003755 33O 1f-1 -0.140714 -0.075917 -0.001003 -0.000126 0.000966 0.000492 33O 1f+2 0.172761 -0.010160 -0.002502 0.003358 -0.002324 0.002122 33O 1f-2 0.225950 0.173704 0.000827 0.003585 -0.003553 -0.000065 33O 1f+3 0.197454 0.080115 -0.000164 0.000132 0.002577 -0.001028 33O 1f-3 0.037334 0.062921 0.002949 0.000337 -0.001338 0.000089 34O 1s 0.000775 0.005339 -0.000016 0.000120 -0.000059 -0.000598 34O 2s 0.003009 0.017453 -0.000024 0.000137 -0.000082 -0.000514 34O 3s -0.041488 -0.218240 0.000477 -0.002926 0.005463 0.011901 34O 4s 0.230998 0.357502 -0.001945 0.008485 -0.061673 -0.007672 34O 5s -0.346359 1.121525 -0.015963 -0.011878 0.152961 -0.063776 34O 1pz 0.023837 -0.012764 -0.001635 0.006331 0.005810 -0.002002 34O 1px -0.018484 -0.100320 0.000434 0.001177 -0.005653 0.002574 34O 1py -0.027851 0.047883 -0.000918 0.004031 -0.005687 0.003502 34O 2pz -0.141481 0.047818 0.011220 -0.021303 -0.018482 0.009129 34O 2px 0.078353 0.439902 -0.002229 -0.002487 0.001378 -0.034342 34O 2py 0.171020 -0.208633 0.008766 -0.012352 0.024117 -0.006310 34O 3pz 0.073313 -0.048137 -0.053675 -0.043146 -0.057129 0.058868 34O 3px -0.072765 0.355207 -0.009402 -0.005637 -0.005820 0.077528 34O 3py -0.085991 -0.001695 -0.041571 -0.031772 0.021258 -0.102895 34O 1dz2 -0.040186 0.183500 -0.007346 -0.009851 -0.007298 0.000099 34O 1dxz 0.069985 -0.100078 -0.003346 -0.001817 0.004431 -0.000770 34O 1dyz -0.130355 0.077098 0.003877 0.004530 0.002963 -0.006696 34O 1dx2y2 -0.049605 -0.104949 -0.005370 -0.006149 0.003863 -0.005367 34O 1dxy -0.107784 0.302093 -0.000587 0.000632 -0.003129 0.002995 34O 2dz2 0.055480 -0.267348 0.020422 0.026700 0.018397 0.008382 34O 2dxz -0.177989 0.130192 0.015032 0.001260 -0.014759 0.010130 34O 2dyz 0.162351 -0.093370 -0.012286 -0.011468 -0.014181 0.012353 34O 2dx2y2 0.107848 0.197586 0.016776 0.016749 -0.017668 -0.006047 34O 2dxy 0.247381 -0.423448 0.005557 -0.003980 0.011720 -0.007497 34O 1f0 0.050053 -0.012688 -0.001750 0.001683 -0.002321 -0.003918 34O 1f+1 0.006438 -0.088473 -0.002175 -0.002151 -0.001328 0.001091 34O 1f-1 -0.049664 0.038465 0.003933 0.005228 0.003855 0.001724 34O 1f+2 -0.090448 0.039758 0.000802 -0.003147 0.001355 0.003838 34O 1f-2 0.052125 0.000155 0.000874 0.003299 -0.002451 -0.000275 34O 1f+3 -0.087009 -0.051161 0.000410 0.003022 0.001740 0.003250 34O 1f-3 -0.112766 0.145215 -0.003222 -0.000907 0.005718 0.003507 35O 1s -0.003947 -0.007663 -0.000021 -0.000018 -0.000049 0.000020 35O 2s -0.014414 -0.025926 -0.000013 -0.000007 -0.000042 0.000057 35O 3s 0.192119 0.333569 0.000165 -0.000009 -0.000718 -0.002509 35O 4s -0.680862 -0.716439 -0.000695 0.000159 0.016701 -0.006104 35O 5s 0.250353 -1.175251 0.017977 0.004202 -0.029329 0.088700 35O 1pz -0.085035 -0.001712 -0.000792 0.003709 -0.004272 0.001764 35O 1px 0.102711 0.144726 -0.001001 0.002038 0.002944 -0.002084 35O 1py -0.014314 0.052124 0.001241 -0.005915 0.000504 0.000259 35O 2pz 0.506606 0.075789 0.007128 -0.011939 0.013502 -0.009170 35O 2px -0.450190 -0.642560 0.007380 -0.005605 -0.003452 0.017912 35O 2py 0.144218 -0.190606 -0.009211 0.018952 0.001661 0.003275 35O 3pz -0.232620 -0.050663 -0.041012 -0.032935 0.042387 -0.035579 35O 3px -0.194262 -0.499880 -0.024169 -0.024451 0.030391 -0.004759 35O 3py -0.215547 -0.212381 0.056119 0.045400 -0.053377 -0.035996 35O 1dz2 -0.226061 -0.169520 -0.007556 -0.009641 0.008958 -0.001041 35O 1dxz -0.173411 0.145178 -0.003643 -0.003121 -0.003578 -0.000042 35O 1dyz -0.322335 0.054075 0.003880 0.005678 -0.005751 -0.001730 35O 1dx2y2 0.196639 0.165895 -0.005242 -0.005086 -0.002850 -0.002613 35O 1dxy -0.048511 0.257151 -0.000783 -0.002648 0.004483 0.003693 35O 2dz2 0.342889 0.286351 0.021641 0.026032 -0.021637 -0.001334 35O 2dxz 0.513742 -0.077670 0.013624 0.006683 0.014052 -0.002911 35O 2dyz 0.529184 -0.022133 -0.010108 -0.015831 0.010950 0.003043 35O 2dx2y2 -0.433227 -0.340122 0.019328 0.011751 0.011731 0.011788 35O 2dxy 0.139762 -0.352429 -0.001669 0.009806 -0.010661 -0.003092 35O 1f0 -0.231058 -0.030284 -0.004185 -0.002936 0.004215 0.003818 35O 1f+1 0.210023 0.155633 -0.001963 -0.002798 -0.001918 -0.002729 35O 1f-1 -0.007562 0.049879 -0.000222 -0.001841 0.000745 -0.000344 35O 1f+2 0.140433 -0.002478 -0.002158 -0.005118 0.000527 -0.002267 35O 1f-2 0.292532 0.061158 -0.000326 -0.001452 0.000110 0.000290 35O 1f+3 0.236599 0.103271 -0.001270 0.003791 -0.002596 0.000243 35O 1f-3 0.015967 0.132612 0.002141 0.000767 0.002910 -0.000099 744 745 746 747 748 749 14.20695 14.22218 14.35128 14.40944 14.43006 14.50295 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s -0.000050 0.000091 0.000059 0.000065 -0.000067 0.000257 0Rh 2s -0.000061 0.000136 0.000001 0.000428 -0.000398 -0.001349 0Rh 3s -0.000356 0.000658 0.000391 0.000652 -0.000653 0.000902 0Rh 4s -0.000346 0.000422 0.001626 -0.001636 0.001398 0.013604 0Rh 5s 0.002595 -0.003639 -0.013786 0.002750 -0.001791 -0.065040 0Rh 6s -0.004314 0.004633 0.042789 -0.004785 0.002569 0.160576 0Rh 7s 0.030143 -0.008273 -0.143392 0.015767 -0.004443 -0.693677 0Rh 8s -0.035753 0.040287 -0.274011 -0.000423 -0.010534 0.107096 0Rh 1pz 0.000790 0.002562 -0.000461 -0.000084 0.000002 -0.000583 0Rh 1px 0.000157 0.000721 0.001645 -0.000047 0.000052 0.001581 0Rh 1py 0.000261 0.000689 0.000457 -0.000093 0.000033 0.000284 0Rh 2pz -0.003482 -0.011645 0.002215 0.000374 -0.000004 0.002762 0Rh 2px -0.000673 -0.003266 -0.007843 0.000220 -0.000247 -0.007552 0Rh 2py -0.001164 -0.003131 -0.002139 0.000424 -0.000153 -0.001363 0Rh 3pz 0.013067 0.054627 -0.012894 -0.001576 -0.000050 -0.015870 0Rh 3px 0.001954 0.015091 0.044396 -0.001223 0.001380 0.044777 0Rh 3py 0.004801 0.014641 0.011278 -0.001966 0.000720 0.008154 0Rh 4pz -0.014867 -0.113945 0.034227 0.002703 0.000206 0.041885 0Rh 4px 0.000399 -0.030843 -0.114718 0.003070 -0.003518 -0.121488 0Rh 4py -0.007581 -0.030411 -0.026800 0.004110 -0.001521 -0.022386 0Rh 5pz -0.025497 0.130383 -0.046769 -0.001937 0.000321 -0.057295 0Rh 5px -0.015232 0.035504 0.151433 -0.003909 0.004813 0.170157 0Rh 5py 0.000836 0.034762 0.030187 -0.005020 0.001618 0.033049 0Rh 6pz 0.488196 -0.093393 -0.060688 0.002508 -0.015289 -0.064545 0Rh 6px 0.157821 -0.065310 0.325377 -0.000761 0.000917 0.109298 0Rh 6py 0.068406 -0.031694 0.140585 -0.001698 0.025392 -0.048760 0Rh 1dz2 0.334131 -0.334922 0.234365 -0.228902 0.245095 -0.245844 0Rh 1dxz -0.531255 0.513218 0.343371 0.037701 -0.021263 -0.330969 0Rh 1dyz -0.095797 0.070724 0.026456 -0.568423 0.573940 -0.065841 0Rh 1dx2y2 -0.164822 0.144271 -0.495430 -0.091456 0.068653 0.488772 0Rh 1dxy -0.118127 0.195110 -0.142941 -0.227521 0.217917 0.161374 0Rh 2dz2 -0.696063 0.698051 -0.492274 0.483018 -0.517974 0.521812 0Rh 2dxz 1.107267 -1.070219 -0.721846 -0.079701 0.045062 0.703044 0Rh 2dyz 0.199624 -0.147441 -0.055381 1.199853 -1.213421 0.139666 0Rh 2dx2y2 0.343386 -0.300667 1.041122 0.193242 -0.145373 -1.037871 0Rh 2dxy 0.246097 -0.406802 0.300532 0.480369 -0.460833 -0.342876 0Rh 3dz2 0.645594 -0.647354 0.467520 -0.465552 0.501779 -0.511460 0Rh 3dxz -1.027813 0.993381 0.686643 0.077058 -0.043855 -0.690024 0Rh 3dyz -0.185291 0.136859 0.052132 -1.157223 1.176670 -0.136774 0Rh 3dx2y2 -0.318637 0.278791 -0.989992 -0.186764 0.141510 1.018319 0Rh 3dxy -0.228063 0.377334 -0.286013 -0.463503 0.447130 0.336752 0Rh 4dz2 -0.376614 0.370367 -0.295418 0.305908 -0.336673 0.350555 0Rh 4dxz 0.601086 -0.569291 -0.435432 -0.051051 0.029542 0.474549 0Rh 4dyz 0.108193 -0.078392 -0.032224 0.761423 -0.792219 0.093464 0Rh 4dx2y2 0.186011 -0.159353 0.627925 0.123743 -0.096582 -0.700111 0Rh 4dxy 0.133017 -0.215627 0.183142 0.305375 -0.301591 -0.231934 0Rh 5dz2 0.229827 -0.180992 0.275373 -0.260232 0.303947 -0.265606 0Rh 5dxz -0.375476 0.272622 0.400994 0.041749 -0.023676 -0.360597 0Rh 5dyz -0.071222 0.036969 0.037000 -0.645913 0.719241 -0.072862 0Rh 5dx2y2 -0.113529 0.079976 -0.584896 -0.104288 0.088023 0.531317 0Rh 5dxy -0.086565 0.104285 -0.188782 -0.258660 0.273701 0.174772 0Rh 1f0 -0.005557 -0.002974 0.009767 0.000321 0.002314 0.004898 0Rh 1f+1 -0.010055 -0.005291 -0.007702 -0.000161 -0.002549 -0.004246 0Rh 1f-1 0.001192 0.001016 -0.000475 0.000429 0.002881 -0.001431 0Rh 1f+2 0.004576 0.003411 -0.011695 0.000401 0.001362 -0.006735 0Rh 1f-2 0.002627 0.000906 -0.004136 -0.001018 -0.005840 -0.002827 0Rh 1f+3 -0.001201 0.000083 -0.013987 0.000368 0.000210 -0.007782 0Rh 1f-3 -0.004270 -0.001898 -0.009514 0.000635 0.003181 -0.004745 1Rh 1s -0.000058 -0.000091 -0.000060 0.000065 0.000068 0.000256 1Rh 2s -0.000071 -0.000136 -0.000003 0.000430 0.000398 -0.001351 1Rh 3s -0.000409 -0.000657 -0.000398 0.000654 0.000658 0.000890 1Rh 4s -0.000388 -0.000420 -0.001634 -0.001647 -0.001387 0.013591 1Rh 5s 0.002907 0.003629 0.013839 0.002782 0.001735 -0.064948 1Rh 6s -0.004670 -0.004614 -0.042872 -0.004851 -0.002484 0.160432 1Rh 7s 0.030164 0.008009 0.143734 0.016027 0.003911 -0.693213 1Rh 8s -0.042742 -0.039656 0.273687 0.000093 0.010938 0.106758 1Rh 1pz -0.000846 0.002562 -0.000460 0.000086 0.000002 0.000576 1Rh 1px -0.000214 0.000721 0.001642 0.000049 0.000050 -0.001582 1Rh 1py -0.000027 0.000686 0.000455 0.000091 0.000030 -0.000284 1Rh 2pz 0.003734 -0.011647 0.002211 -0.000384 -0.000004 -0.002733 1Rh 2px 0.000931 -0.003265 -0.007829 -0.000231 -0.000238 0.007557 1Rh 2py 0.000099 -0.003116 -0.002129 -0.000416 -0.000138 0.001361 1Rh 3pz -0.014235 0.054640 -0.012877 0.001620 -0.000046 0.015742 1Rh 3px -0.003193 0.015083 0.044335 0.001279 0.001340 -0.044799 1Rh 3py 0.000184 0.014584 0.011234 0.001938 0.000652 -0.008143 1Rh 4pz 0.017264 -0.113980 0.034206 -0.002783 0.000191 -0.041644 1Rh 4px 0.002265 -0.030815 -0.114597 -0.003195 -0.003434 0.121524 1Rh 4py -0.002800 -0.030344 -0.026703 -0.004079 -0.001392 0.022356 1Rh 5pz 0.022749 0.130437 -0.046847 0.002022 0.000362 0.057062 1Rh 5px 0.012165 0.035441 0.151289 0.004042 0.004698 -0.170191 1Rh 5py 0.011056 0.034878 0.030067 0.005028 0.001475 -0.032980 1Rh 6pz -0.483438 -0.092733 -0.057313 -0.002875 -0.015719 0.065477 1Rh 6px -0.159662 -0.064791 0.326492 0.001539 0.001300 -0.108619 1Rh 6py -0.078439 -0.034060 0.139754 0.001911 0.025125 0.047575 1Rh 1dz2 0.328945 0.335367 -0.234784 -0.230064 -0.243571 -0.245936 1Rh 1dxz -0.522971 -0.513271 -0.342321 0.037505 0.021069 -0.330839 1Rh 1dyz -0.076027 -0.069816 -0.026048 -0.571498 -0.571180 -0.066012 1Rh 1dx2y2 -0.143814 -0.142837 0.495709 -0.091399 -0.068296 0.488808 1Rh 1dxy -0.169684 -0.197784 0.143658 -0.228655 -0.216519 0.161510 1Rh 2dz2 -0.685260 -0.698981 0.493158 0.485471 0.514757 0.522009 1Rh 2dxz 1.090005 1.070334 0.719641 -0.079291 -0.044652 0.702769 1Rh 2dyz 0.158421 0.145547 0.054523 1.206350 1.207593 0.140029 1Rh 2dx2y2 0.299611 0.297676 -1.041715 0.193125 0.144618 -1.037951 1Rh 2dxy 0.353565 0.412385 -0.302042 0.482765 0.457878 -0.343167 1Rh 3dz2 0.635575 0.648225 -0.468367 -0.467923 -0.498671 -0.511659 1Rh 3dxz -1.011812 -0.993499 -0.684547 0.076669 0.043458 -0.689764 1Rh 3dyz -0.147076 -0.135094 -0.051310 -1.163507 -1.171037 -0.137129 1Rh 3dx2y2 -0.278046 -0.276007 0.990571 -0.186658 -0.140776 1.018412 1Rh 3dxy -0.327750 -0.382546 0.287456 -0.465821 -0.444272 0.337042 1Rh 4dz2 -0.370880 -0.370883 0.295973 0.307488 0.334615 0.350703 1Rh 4dxz 0.591936 0.569385 0.434108 -0.050813 -0.029279 0.474397 1Rh 4dyz 0.086313 0.077344 0.031688 0.765606 0.788477 0.093694 1Rh 4dx2y2 0.162798 0.157712 -0.628323 0.123687 0.096085 -0.700211 1Rh 4dxy 0.190104 0.218739 -0.184068 0.306914 0.299689 -0.232145 1Rh 5dz2 0.227370 0.181252 -0.275799 -0.261652 -0.302152 -0.265736 1Rh 5dxz -0.370845 -0.272768 -0.400033 0.041569 0.023464 -0.360637 1Rh 5dyz -0.060405 -0.036278 -0.036558 -0.649515 -0.715933 -0.073041 1Rh 5dx2y2 -0.102785 -0.078948 0.585216 -0.104152 -0.087541 0.531504 1Rh 5dxy -0.114185 -0.106340 0.189469 -0.259897 -0.272014 0.174987 1Rh 1f0 0.005685 -0.002992 0.009750 -0.000299 0.002323 -0.004883 1Rh 1f+1 0.010242 -0.005291 -0.007707 0.000140 -0.002541 0.004269 1Rh 1f-1 -0.001163 0.001015 -0.000461 -0.000405 0.002890 0.001427 1Rh 1f+2 -0.004398 0.003387 -0.011702 -0.000394 0.001368 0.006723 1Rh 1f-2 -0.002797 0.000916 -0.004152 0.000996 -0.005837 0.002810 1Rh 1f+3 0.001535 0.000058 -0.013959 -0.000380 0.000218 0.007789 1Rh 1f-3 0.003818 -0.001849 -0.009522 -0.000629 0.003172 0.004752 2C 1s 0.000045 -0.003987 -0.000470 0.002119 -0.001146 -0.000898 2C 2s -0.000029 0.002862 0.000319 -0.001986 0.000638 0.000787 2C 3s 0.001841 -0.100211 -0.006666 0.118610 0.000107 -0.052602 2C 4s -0.017982 0.658545 0.045594 -0.690450 0.002783 0.278175 2C 5s -0.128188 -0.766719 0.008241 -0.024108 0.105984 0.135028 2C 1pz 0.001296 -0.007823 -0.001482 0.012464 -0.000474 -0.009410 2C 1px -0.001087 -0.003502 -0.000258 0.001287 0.001788 -0.003662 2C 1py -0.000263 -0.002996 -0.000556 0.008612 0.000440 -0.005722 2C 2pz -0.025523 0.376354 0.026173 -0.362014 -0.015315 0.188250 2C 2px 0.026073 0.099124 0.044899 -0.067097 0.015109 0.059389 2C 2py -0.000046 0.231589 0.027722 -0.245073 -0.003167 0.119208 2C 3pz -0.004966 -0.137982 0.012632 -0.045210 0.025001 0.050849 2C 3px -0.053701 -0.047400 -0.061340 -0.059295 -0.028955 -0.018019 2C 3py -0.027228 -0.101295 -0.006314 -0.023937 0.006048 0.039568 2C 1dz2 -0.001792 0.007554 -0.001515 -0.009003 -0.002669 0.003198 2C 1dxz 0.001870 0.004659 0.003852 -0.003633 0.002884 0.002738 2C 1dyz -0.000105 0.012866 0.001517 -0.014309 0.000537 0.004104 2C 1dx2y2 0.002082 -0.007316 0.001017 0.003042 0.002029 -0.003146 2C 1dxy 0.001794 0.001088 0.002863 -0.003496 0.002414 0.000306 2C 2dz2 -0.003127 0.092425 0.009162 -0.079632 0.001050 0.043123 2C 2dxz -0.001821 0.022224 -0.005585 -0.042418 -0.011471 0.005779 2C 2dyz 0.001026 0.137265 0.018350 -0.117742 -0.006351 0.079067 2C 2dx2y2 0.005409 -0.022776 0.003102 0.035908 0.000744 -0.011191 2C 2dxy -0.001593 0.033789 -0.000202 -0.023687 -0.008164 0.020186 2C 1f0 -0.001005 0.006862 0.001400 -0.004680 0.002027 0.002098 2C 1f+1 0.001538 0.010218 0.001722 -0.005443 -0.000738 0.005719 2C 1f-1 -0.001305 0.019244 0.000529 -0.022186 -0.000570 0.009195 2C 1f+2 0.000376 -0.014319 -0.001836 0.011848 -0.001566 -0.007999 2C 1f-2 0.002437 0.007578 -0.000265 -0.009691 -0.000488 0.004519 2C 1f+3 0.001717 0.000864 0.000698 -0.001705 -0.001993 0.000413 2C 1f-3 0.000021 0.005628 0.002099 -0.000749 0.001311 0.003550 3C 1s 0.000481 -0.001609 -0.000085 -0.002137 0.000845 -0.000849 3C 2s -0.000292 0.001174 -0.000029 0.001983 -0.000497 0.000789 3C 3s 0.002330 -0.040936 0.012249 -0.116403 0.004048 -0.057228 3C 4s -0.016105 0.268286 -0.068359 0.680167 -0.023328 0.306185 3C 5s 0.087177 -0.259627 0.070516 0.021164 -0.062491 0.126150 3C 1pz 0.000580 -0.004026 0.000322 -0.008254 0.000623 -0.004005 3C 1px 0.000212 -0.001861 0.000995 -0.003823 -0.001640 -0.004481 3C 1py 0.000139 0.001978 -0.000790 0.011551 -0.000663 0.010625 3C 2pz -0.014986 0.103188 -0.030430 0.217894 0.003966 0.100655 3C 2px 0.000166 0.061952 0.020253 0.130500 -0.016815 0.083199 3C 2py 0.013010 -0.146483 0.038630 -0.351188 -0.001283 -0.213556 3C 3pz 0.025543 0.004106 0.022244 -0.011478 -0.017379 0.051818 3C 3px 0.004469 -0.008598 -0.048395 0.046916 0.024678 0.001305 3C 3py -0.017512 0.070123 -0.015142 -0.059270 0.013390 -0.043417 3C 1dz2 -0.000158 -0.004540 -0.001484 -0.003671 0.001089 0.000270 3C 1dxz -0.000424 0.000763 -0.000024 0.003799 0.000029 0.002932 3C 1dyz 0.000548 -0.002522 0.002036 -0.012780 -0.000801 -0.003872 3C 1dx2y2 0.001565 -0.006171 0.003591 -0.008035 -0.002322 -0.004654 3C 1dxy -0.000928 -0.002496 -0.003720 -0.007594 0.003882 -0.003148 3C 2dz2 0.001491 0.008808 0.004548 -0.023776 -0.003660 -0.019938 3C 2dxz 0.000766 0.022096 -0.011107 0.038686 0.004985 0.017803 3C 2dyz 0.005642 -0.058381 0.006592 -0.096172 0.002808 -0.083207 3C 2dx2y2 0.005248 -0.024991 0.006114 -0.080555 0.004267 -0.036987 3C 2dxy 0.001996 -0.032173 0.008905 -0.070066 -0.010576 -0.034274 3C 1f0 0.001185 -0.002841 0.000867 -0.012149 -0.000606 -0.003700 3C 1f+1 -0.000089 0.002437 0.000933 -0.000315 -0.002031 0.002868 3C 1f-1 0.000158 -0.003037 0.000242 -0.000215 -0.000438 -0.001753 3C 1f+2 0.001430 -0.005814 0.002320 -0.016658 0.002187 -0.007960 3C 1f-2 -0.000206 -0.006930 0.001130 -0.012794 0.000333 -0.008480 3C 1f+3 0.000902 0.005778 -0.001626 0.011494 0.001030 0.007729 3C 1f-3 0.001397 -0.002754 -0.000610 -0.005535 0.001939 -0.005745 4C 1s 0.000360 -0.006444 -0.000728 0.007458 -0.000477 -0.002300 4C 2s -0.000117 0.002729 0.000354 -0.003249 0.000253 0.000519 4C 3s 0.009730 0.157582 0.009371 -0.245483 0.001110 0.151205 4C 4s -0.072204 -0.563884 -0.024535 0.986898 0.012819 -0.730465 4C 5s 0.013612 0.299878 0.065136 0.153580 -0.041646 -0.228248 4C 1pz -0.002089 -0.018760 0.000466 0.011162 -0.002993 0.001840 4C 1px 0.007907 -0.004315 -0.006137 0.001895 0.010300 0.000591 4C 1py 0.001466 -0.011465 -0.002206 0.007422 0.001719 0.001216 4C 2pz -0.021016 0.346477 -0.035953 -0.242048 -0.010239 0.023044 4C 2px -0.018883 0.098131 0.237026 -0.057341 0.010315 0.002797 4C 2py -0.019514 0.241779 0.067045 -0.164823 -0.001050 0.012251 4C 3pz -0.130645 -0.493897 -0.032667 -0.208178 0.057567 -0.048894 4C 3px 0.069605 -0.078466 0.106913 -0.031821 -0.085051 -0.029815 4C 3py -0.054983 -0.307880 0.017786 -0.140524 0.005955 -0.048291 4C 1dz2 0.004251 0.011834 -0.000613 -0.012567 -0.000992 0.005845 4C 1dxz -0.006889 0.009108 0.004208 -0.010350 0.002963 0.005702 4C 1dyz -0.000755 0.021611 0.001652 -0.014709 0.000160 -0.000271 4C 1dx2y2 -0.001310 -0.012944 -0.000880 0.014590 0.000031 -0.011356 4C 1dxy -0.005747 0.003071 0.002359 0.001408 0.001906 -0.005226 4C 2dz2 -0.013486 -0.152770 -0.080849 0.095309 -0.033697 -0.069747 4C 2dxz 0.047782 -0.066580 0.099719 -0.004345 0.052211 -0.012557 4C 2dyz 0.009162 -0.256609 -0.026161 0.216723 -0.001843 -0.122555 4C 2dx2y2 -0.006722 0.077249 0.020899 0.032630 0.005417 0.004945 4C 2dxy 0.004059 -0.053924 0.084157 0.082428 0.043543 -0.037057 4C 1f0 0.000205 0.009601 -0.003503 -0.017460 -0.012531 0.009856 4C 1f+1 0.003508 0.018944 0.005802 -0.035960 0.012580 0.016750 4C 1f-1 0.000110 0.015517 -0.005476 -0.024005 -0.005607 0.012327 4C 1f+2 -0.004152 -0.020608 -0.006120 0.035244 0.007448 -0.018095 4C 1f-2 -0.001835 0.006364 0.014583 -0.008352 0.016105 0.003640 4C 1f+3 -0.008607 -0.000518 -0.003134 0.000624 0.011628 -0.001022 4C 1f-3 -0.002470 0.014519 -0.008449 -0.028070 0.000999 0.012927 5C 1s -0.000376 -0.002540 0.000375 -0.007362 0.000400 -0.002659 5C 2s 0.000188 0.001051 -0.000188 0.003233 -0.000199 0.000675 5C 3s -0.019630 0.058116 -0.017157 0.238601 -0.000302 0.159238 5C 4s 0.109041 -0.207127 0.082492 -0.954446 -0.015723 -0.759079 5C 5s 0.064518 0.097070 -0.027660 -0.147551 0.003364 -0.220341 5C 1pz -0.000860 -0.005825 0.002195 -0.006370 0.003802 0.000901 5C 1px 0.004191 -0.003595 -0.004683 -0.004630 -0.010087 0.000549 5C 1py -0.000250 0.007312 -0.002669 0.011329 -0.002861 -0.001460 5C 2pz 0.006665 0.094165 -0.084011 0.140008 -0.005677 0.023699 5C 2px -0.003709 0.028286 0.211259 0.100332 -0.006241 -0.005447 5C 2py -0.007326 -0.164190 0.064812 -0.244285 0.010832 -0.040642 5C 3pz 0.055483 -0.136149 -0.016096 0.132998 -0.046291 -0.039256 5C 3px 0.080693 -0.094369 0.100174 0.076348 0.083636 -0.006613 5C 3py -0.111908 0.129929 -0.001225 -0.206242 0.041375 0.045505 5C 1dz2 0.000734 -0.004161 -0.001655 0.003231 0.001095 0.005646 5C 1dxz -0.003819 0.000778 0.000129 0.011100 -0.001342 0.008212 5C 1dyz -0.000542 -0.004589 0.001825 -0.010739 -0.000800 0.002023 5C 1dx2y2 -0.000259 -0.009613 0.003457 -0.017173 -0.001405 -0.010953 5C 1dxy 0.003290 -0.003992 -0.002054 -0.011282 0.002684 -0.003460 5C 2dz2 -0.032228 0.034349 -0.047136 0.088623 0.019297 0.048901 5C 2dxz 0.029332 -0.033917 0.063616 -0.006731 -0.021560 -0.028165 5C 2dyz -0.013709 0.073041 0.034256 0.210299 -0.024077 0.119834 5C 2dx2y2 0.017602 0.071056 0.057041 0.038514 -0.035188 0.044737 5C 2dxy 0.006729 0.070850 -0.119641 0.085959 0.044166 0.072400 5C 1f0 -0.006233 -0.001800 0.005918 0.000745 0.004863 -0.001541 5C 1f+1 0.002100 0.003315 -0.007141 0.020470 -0.002082 0.011679 5C 1f-1 0.004034 0.000928 0.007506 -0.002905 -0.007146 -0.001147 5C 1f+2 0.002155 -0.004830 0.004746 -0.016168 -0.014232 -0.008087 5C 1f-2 -0.002808 -0.004538 -0.012349 -0.032483 0.007258 -0.016677 5C 1f+3 -0.012766 0.008387 -0.000833 0.034913 -0.014180 0.020016 5C 1f-3 0.000226 -0.008440 0.010528 -0.033578 -0.014732 -0.017199 6C 1s -0.000952 0.002539 -0.000385 -0.007361 -0.000370 -0.002650 6C 2s 0.000431 -0.001052 0.000193 0.003232 0.000186 0.000671 6C 3s -0.005002 -0.058158 0.016701 0.238607 -0.000949 0.159932 6C 4s 0.055901 0.207259 -0.079980 -0.954408 0.021124 -0.763107 6C 5s 0.091517 -0.097329 0.028752 -0.147573 -0.003415 -0.222342 6C 1pz 0.001745 -0.005834 0.002214 0.006394 0.003789 -0.000904 6C 1px -0.003595 -0.003571 -0.004709 0.004578 -0.010123 -0.000538 6C 1py -0.001429 0.007288 -0.002688 -0.011330 -0.002816 0.001480 6C 2pz -0.024888 0.093823 -0.085040 -0.140033 -0.005231 -0.022933 6C 2px -0.008291 0.028721 0.213057 -0.100295 -0.005335 0.004996 6C 2py 0.038619 -0.163699 0.065724 0.244205 0.009836 0.039512 6C 3pz -0.028375 -0.136840 -0.017123 -0.132701 -0.046342 0.040436 6C 3px -0.067334 -0.093788 0.101231 -0.075464 0.084009 0.006743 6C 3py 0.065800 0.130600 0.000300 0.206094 0.041463 -0.047463 6C 1dz2 0.000899 0.004148 0.001667 0.003210 -0.001101 0.005658 6C 1dxz -0.002807 -0.000770 -0.000200 0.011106 0.001279 0.008271 6C 1dyz -0.002184 0.004584 -0.001876 -0.010737 0.000832 0.002070 6C 1dx2y2 -0.001706 0.009618 -0.003480 -0.017165 0.001475 -0.010978 6C 1dxy 0.002142 0.003989 0.002155 -0.011297 -0.002611 -0.003501 6C 2dz2 -0.028030 -0.034351 0.047070 0.088613 -0.019825 0.049273 6C 2dxz 0.022017 0.033661 -0.064163 -0.006532 0.021420 -0.027687 6C 2dyz 0.006923 -0.073067 -0.034685 0.210357 0.023011 0.120118 6C 2dx2y2 0.030509 -0.070936 -0.056851 0.038603 0.035121 0.044198 6C 2dxy 0.019368 -0.070454 0.120159 0.085847 -0.044445 0.072067 6C 1f0 0.006395 -0.001727 0.005996 -0.000698 0.004879 0.001462 6C 1f+1 -0.003173 0.003279 -0.007110 -0.020485 -0.001964 -0.011749 6C 1f-1 -0.003936 0.000919 0.007532 0.002868 -0.007157 0.001146 6C 1f+2 -0.001244 -0.004859 0.004714 0.016063 -0.014309 0.008080 6C 1f-2 0.004635 -0.004568 -0.012495 0.032524 0.007059 0.016809 6C 1f+3 0.010819 0.008395 -0.000819 -0.034979 -0.014008 -0.020127 6C 1f-3 0.001424 -0.008437 0.010446 0.033509 -0.014910 0.017306 7C 1s 0.000583 0.006453 0.000733 0.007466 0.000454 -0.002306 7C 2s -0.000210 -0.002732 -0.000357 -0.003253 -0.000245 0.000524 7C 3s 0.004733 -0.157548 -0.008805 -0.245758 0.000081 0.151985 7C 4s -0.054722 0.563547 0.021583 0.987980 -0.018002 -0.734578 7C 5s 0.005579 -0.300203 -0.066823 0.153128 0.041431 -0.228900 7C 1pz 0.001483 -0.018733 0.000481 -0.011156 -0.002938 -0.001826 7C 1px -0.008008 -0.004314 -0.006146 -0.001819 0.010322 -0.000601 7C 1py -0.002035 -0.011581 -0.002211 -0.007453 0.001759 -0.001213 7C 2pz 0.035030 0.346411 -0.036350 0.241591 -0.011264 -0.022663 7C 2px 0.019770 0.098044 0.239083 0.057316 0.009491 -0.001739 7C 2py 0.027604 0.243556 0.067713 0.165716 -0.002015 -0.012038 7C 3pz 0.120074 -0.492571 -0.032866 0.208173 0.057992 0.049611 7C 3px -0.072400 -0.077445 0.108292 0.031340 -0.085495 0.030496 7C 3py 0.041404 -0.307732 0.018520 0.140435 0.006120 0.048359 7C 1dz2 0.003409 -0.011848 0.000648 -0.012594 0.001035 0.005897 7C 1dxz -0.007314 -0.009154 -0.004237 -0.010396 -0.002894 0.005693 7C 1dyz -0.001256 -0.021559 -0.001646 -0.014702 -0.000096 -0.000281 7C 1dx2y2 -0.001248 0.012910 0.000848 0.014611 -0.000068 -0.011451 7C 1dxy -0.005762 -0.003097 -0.002456 0.001395 -0.001910 -0.005297 7C 2dz2 -0.007098 0.152229 0.081120 0.094876 0.033187 -0.068925 7C 2dxz 0.052269 0.066590 -0.100057 -0.005055 -0.052017 -0.012153 7C 2dyz 0.017206 0.257084 0.026031 0.217405 0.000822 -0.123188 7C 2dx2y2 -0.008750 -0.078186 -0.021368 0.032097 -0.005771 0.005025 7C 2dxy 0.006147 0.053984 -0.084843 0.082116 -0.043919 -0.037427 7C 1f0 0.000292 0.009422 -0.003517 0.017258 -0.012601 -0.009810 7C 1f+1 -0.002875 0.018874 0.005662 0.035939 0.012391 -0.016810 7C 1f-1 0.000518 0.015535 -0.005548 0.023979 -0.005734 -0.012377 7C 1f+2 0.003714 -0.020704 -0.006137 -0.035343 0.007652 0.018257 7C 1f-2 0.001942 0.006311 0.014601 0.008475 0.016068 -0.003623 7C 1f+3 0.008616 -0.000496 -0.003200 -0.000579 0.011668 0.001042 7C 1f-3 0.002895 0.014535 -0.008601 0.028206 0.000885 -0.013117 8C 1s 0.000119 0.001607 0.000088 -0.002138 -0.000856 -0.000857 8C 2s -0.000034 -0.001172 0.000027 0.001984 0.000499 0.000795 8C 3s -0.006629 0.040893 -0.012267 -0.116396 -0.003502 -0.057226 8C 4s 0.042854 -0.267918 0.068574 0.680081 0.020193 0.306043 8C 5s 0.016407 0.260552 -0.069924 0.020830 0.065069 0.124855 8C 1pz -0.000471 -0.004020 0.000336 0.008227 0.000583 0.004029 8C 1px 0.000048 -0.001878 0.000971 0.003795 -0.001652 0.004522 8C 1py -0.000908 0.001959 -0.000780 -0.011576 -0.000613 -0.010593 8C 2pz -0.001615 0.103025 -0.030544 -0.217559 0.005093 -0.100846 8C 2px -0.013796 0.062152 0.020338 -0.130445 -0.016181 -0.083570 8C 2py 0.021525 -0.146035 0.038576 0.351316 -0.003042 0.213168 8C 3pz -0.018884 0.004111 0.022158 0.011079 -0.017759 -0.051422 8C 3px 0.002727 -0.009069 -0.048660 -0.047744 0.024826 -0.000642 8C 3py 0.004083 0.070183 -0.015020 0.058577 0.013480 0.043464 8C 1dz2 -0.000121 0.004548 0.001503 -0.003670 -0.001105 0.000252 8C 1dxz 0.000162 -0.000772 0.000020 0.003800 -0.000037 0.002923 8C 1dyz -0.000424 0.002499 -0.002010 -0.012779 0.000849 -0.003871 8C 1dx2y2 0.000766 0.006169 -0.003606 -0.008020 0.002380 -0.004658 8C 1dxy -0.001637 0.002494 0.003698 -0.007604 -0.003825 -0.003150 8C 2dz2 -0.002040 -0.008827 -0.004387 -0.023791 0.003804 -0.019940 8C 2dxz 0.003394 -0.021822 0.011093 0.038685 -0.005217 0.017743 8C 2dyz -0.006361 0.058344 -0.006480 -0.096255 -0.002261 -0.083130 8C 2dx2y2 -0.001479 0.024917 -0.006207 -0.080389 -0.003808 -0.037165 8C 2dxy -0.003637 0.032197 -0.008938 -0.070076 0.010953 -0.034187 8C 1f0 -0.000490 -0.002843 0.000884 0.012126 -0.000731 0.003720 8C 1f+1 -0.000269 0.002417 0.000933 0.000335 -0.002004 -0.002832 8C 1f-1 -0.000037 -0.003021 0.000220 0.000235 -0.000448 0.001747 8C 1f+2 -0.000144 -0.005803 0.002318 0.016647 0.002119 0.007973 8C 1f-2 0.001535 -0.006933 0.001149 0.012828 0.000323 0.008481 8C 1f+3 -0.002180 0.005766 -0.001603 -0.011478 0.001079 -0.007712 8C 1f-3 -0.000420 -0.002743 -0.000630 0.005559 0.001924 0.005751 9C 1s 0.000186 0.003983 0.000471 0.002119 0.001162 -0.000912 9C 2s -0.000131 -0.002861 -0.000318 -0.001986 -0.000643 0.000796 9C 3s 0.005338 0.100384 0.006429 0.118741 -0.000673 -0.052789 9C 4s -0.040971 -0.659468 -0.044562 -0.691120 0.000372 0.279072 9C 5s -0.107177 0.765947 -0.008812 -0.023501 -0.108757 0.134456 9C 1pz -0.001461 -0.007778 -0.001436 -0.012477 -0.000412 0.009364 9C 1px 0.001056 -0.003478 -0.000281 -0.001248 0.001788 0.003657 9C 1py -0.000129 -0.003148 -0.000583 -0.008621 0.000481 0.005835 9C 2pz 0.038037 0.375533 0.025601 0.361772 -0.017189 -0.187646 9C 2px -0.023601 0.098566 0.045066 0.066767 0.014781 -0.059207 9C 2py 0.010191 0.234337 0.028013 0.246116 -0.004518 -0.120819 9C 3pz -0.000736 -0.136756 0.012971 0.044046 0.025343 -0.051326 9C 3px 0.051386 -0.047172 -0.061969 0.059437 -0.029310 0.018133 9C 3py 0.027805 -0.102508 -0.006938 0.025682 0.006222 -0.038580 9C 1dz2 -0.002437 -0.007514 0.001509 -0.008935 0.002700 0.003195 9C 1dxz 0.001568 -0.004644 -0.003816 -0.003622 -0.002815 0.002737 9C 1dyz -0.000329 -0.012897 -0.001498 -0.014356 -0.000443 0.004122 9C 1dx2y2 0.002067 0.007346 -0.001003 0.003084 -0.002034 -0.003161 9C 1dxy 0.001724 -0.001056 -0.002923 -0.003505 -0.002484 0.000307 9C 2dz2 -0.004586 -0.092156 -0.009125 -0.078884 -0.000617 0.043131 9C 2dxz -0.002637 -0.021918 0.005764 -0.041877 0.011642 0.005764 9C 2dyz -0.004830 -0.137752 -0.018294 -0.118400 0.007075 0.079145 9C 2dx2y2 0.007623 0.023417 -0.003158 0.036472 -0.001004 -0.011313 9C 2dxy -0.001771 -0.033479 0.000087 -0.023790 0.008363 0.019927 9C 1f0 0.000980 0.006769 0.001388 0.004505 0.002007 -0.002106 9C 1f+1 -0.001270 0.010144 0.001765 0.005374 -0.000695 -0.005696 9C 1f-1 0.001967 0.019262 0.000494 0.022176 -0.000707 -0.009211 9C 1f+2 -0.001023 -0.014483 -0.001793 -0.012082 -0.001574 0.008056 9C 1f-2 -0.002192 0.007543 -0.000310 0.009611 -0.000553 -0.004554 9C 1f+3 -0.001684 0.000875 0.000677 0.001732 -0.002051 -0.000426 9C 1f-3 0.000232 0.005651 0.002148 0.000780 0.001223 -0.003501 10H 1s -0.000770 -0.007340 -0.002400 -0.001413 0.000049 -0.002145 10H 2s -0.016662 -0.013429 -0.022793 -0.000892 -0.023374 -0.025017 10H 3s 0.041181 0.071675 0.031621 0.010204 0.015494 0.021854 10H 1pz -0.003506 -0.006844 -0.003561 0.006529 -0.002492 -0.001749 10H 1px 0.003373 0.004875 0.004166 0.001054 0.006071 0.004590 10H 1py -0.001162 -0.005171 -0.001736 0.004004 -0.001162 -0.001420 11H 1s 0.000165 0.003613 0.002203 0.003435 0.002098 0.006300 11H 2s 0.003030 0.025813 0.011011 0.001901 -0.014668 0.005791 11H 3s 0.005100 0.039480 -0.025118 -0.064710 -0.023585 -0.033825 11H 1pz 0.000502 -0.005513 0.000842 0.005004 -0.003686 -0.002826 11H 1px 0.000963 0.004312 0.002529 0.004789 -0.001309 0.004552 11H 1py 0.000138 -0.006677 -0.002229 0.000571 -0.000438 -0.003740 12H 1s 0.000902 -0.000024 0.001833 0.001696 0.002207 0.003090 12H 2s 0.013405 0.004039 0.013996 -0.004863 -0.012461 -0.009888 12H 3s -0.013914 0.047801 -0.024743 -0.041810 -0.027679 -0.017408 12H 1pz 0.000129 -0.008804 -0.001132 0.003422 -0.002418 -0.002979 12H 1px 0.002211 0.002248 0.002234 0.003176 -0.001173 0.002958 12H 1py 0.003356 -0.007167 0.002792 0.003604 -0.002303 -0.003306 13H 1s 0.000475 -0.001959 -0.000777 0.001302 0.000442 -0.002354 13H 2s -0.003623 0.003046 -0.020474 0.003572 0.019362 -0.021470 13H 3s 0.001477 0.023218 0.019346 -0.008037 -0.018960 0.018591 13H 1pz -0.000959 -0.000752 -0.003033 -0.003101 0.004251 -0.003939 13H 1px 0.000489 0.000564 0.002588 -0.002065 -0.004363 0.002432 13H 1py 0.000644 0.001013 0.002049 0.006290 -0.000633 0.000482 14H 1s -0.000852 -0.000927 0.001947 -0.000995 -0.001612 0.001842 14H 2s -0.001756 0.008381 0.013426 0.006201 0.007686 -0.012816 14H 3s 0.010819 0.027390 -0.031165 0.032577 0.023234 -0.007240 14H 1pz 0.000842 -0.000506 0.002444 -0.001598 0.001001 -0.004975 14H 1px -0.000737 0.000508 0.003318 -0.003574 0.001202 0.000092 14H 1py -0.001457 0.000298 -0.000198 0.004269 -0.002713 0.001749 15H 1s -0.000096 0.001778 0.000786 -0.004231 -0.001611 0.006793 15H 2s 0.004235 -0.004224 0.004031 -0.005660 0.012469 0.012606 15H 3s -0.012380 0.002522 -0.020022 0.071606 0.015366 -0.033601 15H 1pz -0.000239 -0.005098 -0.000750 0.002307 -0.000003 -0.006841 15H 1px -0.000529 -0.001783 0.000348 -0.003435 0.000395 0.001551 15H 1py -0.001658 0.006869 -0.001595 0.006651 -0.003610 0.000440 16H 1s 0.002403 -0.000832 0.009374 -0.010138 0.012459 -0.007925 16H 2s 0.021665 -0.031804 -0.103159 -0.009740 0.004111 0.078566 16H 3s 0.067573 -0.039783 0.014752 -0.006730 0.014013 -0.015664 16H 1pz 0.005823 -0.006238 -0.021319 -0.005759 0.004994 0.015039 16H 1px -0.017116 0.010568 0.011220 0.001884 -0.001654 -0.008712 16H 1py -0.001508 0.000595 0.000094 -0.001796 0.001933 -0.000550 17H 1s -0.002368 0.000618 0.009747 0.009640 -0.010845 -0.007180 17H 2s -0.001204 -0.002637 -0.103299 0.007576 -0.013536 0.080619 17H 3s -0.048168 0.025051 0.018115 0.005607 -0.010361 -0.016944 17H 1pz -0.007744 0.006991 0.009231 -0.004051 0.005110 -0.006514 17H 1px 0.010424 -0.003429 0.023363 -0.004703 0.006365 -0.017930 17H 1py 0.000506 -0.000481 -0.003119 0.001583 -0.001806 0.002103 18H 1s -0.002471 -0.000607 -0.009712 0.009464 0.010537 -0.007163 18H 2s 0.002094 0.003303 0.103493 0.007535 0.013122 0.080847 18H 3s -0.046388 -0.025596 -0.018155 0.005590 0.010083 -0.017074 18H 1pz 0.008116 0.007214 0.009429 0.004239 0.005257 0.006683 18H 1px -0.009632 -0.003288 0.023423 0.004633 0.006158 0.017971 18H 1py -0.000348 -0.000549 -0.002745 -0.001199 -0.001311 -0.001826 19H 1s 0.002308 0.000850 -0.009385 -0.010256 -0.012458 -0.007944 19H 2s 0.023969 0.032318 0.103556 -0.009517 -0.003997 0.078868 19H 3s 0.068032 0.039782 -0.014611 -0.006803 -0.013954 -0.015420 19H 1pz -0.006446 -0.006355 -0.021356 0.005546 0.004754 -0.015093 19H 1px 0.017086 0.010657 0.011328 -0.001990 -0.001766 0.008810 19H 1py 0.001670 0.000383 -0.000333 0.002147 0.002286 0.000286 20H 1s 0.000326 -0.001760 -0.000819 -0.004195 0.001671 0.006746 20H 2s 0.007289 0.004333 -0.004318 -0.005441 -0.012702 0.012343 20H 3s -0.009601 -0.002719 0.020288 0.071169 -0.016287 -0.033237 20H 1pz 0.001161 -0.005062 -0.000788 -0.002251 0.000012 0.006775 20H 1px 0.000463 -0.001755 0.000368 0.003490 0.000417 -0.001628 20H 1py 0.001390 0.006889 -0.001660 -0.006583 -0.003639 -0.000523 21H 1s -0.001000 0.000891 -0.001952 -0.001043 0.001642 0.001933 21H 2s -0.001478 -0.008639 -0.013332 0.006090 -0.008071 -0.012519 21H 3s 0.015283 -0.027287 0.031002 0.033266 -0.023622 -0.007671 21H 1pz -0.000063 -0.000476 0.002448 0.001611 0.001064 0.004957 21H 1px 0.000832 0.000572 0.003297 0.003625 0.001253 -0.000188 21H 1py 0.000833 0.000296 -0.000203 -0.004237 -0.002693 -0.001811 22H 1s -0.000135 0.001978 0.000794 0.001310 -0.000431 -0.002383 22H 2s -0.005363 -0.002824 0.020528 0.003400 -0.019708 -0.021538 22H 3s 0.008602 -0.023446 -0.019326 -0.008289 0.018877 0.018826 22H 1pz 0.001782 -0.000776 -0.003028 0.003145 0.004250 0.003897 22H 1px -0.000698 0.000598 0.002588 0.002065 -0.004447 -0.002492 22H 1py -0.001195 0.001070 0.002087 -0.006306 -0.000677 -0.000515 23H 1s 0.000919 -0.000157 -0.001877 0.001777 -0.002255 0.003248 23H 2s 0.012551 -0.004699 -0.014197 -0.004693 0.012983 -0.009408 23H 3s -0.015928 -0.047062 0.025239 -0.043033 0.028050 -0.018229 23H 1pz -0.000144 -0.008936 -0.001189 -0.003335 -0.002387 0.003115 23H 1px -0.002062 0.002328 0.002231 -0.003199 -0.001159 -0.003033 23H 1py -0.003347 -0.006990 0.002875 -0.003692 -0.002436 0.003204 24H 1s 0.000008 -0.003459 -0.002215 0.003369 -0.002160 0.006194 24H 2s 0.003681 -0.025204 -0.011251 0.001564 0.014983 0.004977 24H 3s 0.004877 -0.040168 0.025537 -0.063964 0.024488 -0.033075 24H 1pz -0.001180 -0.005680 0.000875 -0.004933 -0.003714 0.003004 24H 1px -0.000992 0.004290 0.002629 -0.004772 -0.001351 -0.004492 24H 1py -0.000556 -0.006500 -0.002196 -0.000729 -0.000490 0.003531 25H 1s -0.000559 0.007393 0.002443 -0.001410 -0.000065 -0.002166 25H 2s -0.016879 0.013403 0.022845 -0.000651 0.023734 -0.025186 25H 3s 0.039221 -0.071895 -0.031861 0.010375 -0.015531 0.022120 25H 1pz 0.003388 -0.006868 -0.003597 -0.006549 -0.002573 0.001832 25H 1px -0.003292 0.004913 0.004176 -0.001011 0.006129 -0.004628 25H 1py 0.001128 -0.005000 -0.001664 -0.004064 -0.001054 0.001302 26O 1s -0.000244 0.000526 0.000142 -0.002015 -0.000716 -0.000545 26O 2s -0.000209 0.000452 -0.000779 -0.001276 -0.001848 0.000234 26O 3s 0.005954 -0.010521 0.029346 0.030758 0.045787 -0.014379 26O 4s -0.059242 0.001881 -0.118014 -0.137511 -0.109406 -0.013462 26O 5s 0.260399 0.068294 -0.275955 0.133531 -0.149460 0.509059 26O 1pz -0.005793 -0.004343 0.000016 0.002381 0.005869 -0.006164 26O 1px 0.008639 0.002880 -0.007979 -0.005204 -0.005476 0.008436 26O 1py -0.001143 -0.001474 -0.002343 -0.000186 0.001404 -0.001032 26O 2pz 0.018624 0.014578 -0.021305 0.032205 -0.066762 0.039529 26O 2px -0.024558 -0.031191 0.078653 0.094886 0.027200 -0.060926 26O 2py 0.004008 -0.001984 0.015126 0.054796 -0.030690 0.002470 26O 3pz 0.035524 0.101100 -0.039477 0.164871 -0.161889 0.155453 26O 3px -0.055196 0.066900 0.066331 0.072383 -0.057636 -0.095058 26O 3py 0.049443 0.085612 -0.007468 0.129331 -0.128017 0.065094 26O 1dz2 -0.000352 -0.005916 -0.007457 0.011354 -0.007669 -0.000241 26O 1dxz 0.004299 0.004930 -0.000373 0.000982 -0.004327 0.005747 26O 1dyz -0.002657 -0.004219 -0.008934 0.010330 -0.007333 0.002928 26O 1dx2y2 0.000648 0.002256 0.001403 -0.008518 0.007590 -0.000613 26O 1dxy 0.008624 0.002281 -0.000453 -0.004187 0.001523 0.003422 26O 2dz2 0.006748 0.002944 0.018970 0.008773 0.000433 0.000511 26O 2dxz -0.013917 -0.016026 -0.003680 0.008185 0.009520 -0.010253 26O 2dyz 0.011461 0.006257 0.005333 0.004230 -0.012316 0.014020 26O 2dx2y2 0.001265 0.010072 -0.012662 -0.014407 -0.014144 0.013248 26O 2dxy -0.022742 0.002129 -0.014611 -0.004644 -0.008615 0.010315 26O 1f0 0.002791 -0.003103 0.002315 -0.003359 0.008457 -0.001083 26O 1f+1 -0.000300 0.001556 -0.005425 -0.004129 -0.000844 0.006068 26O 1f-1 0.000954 -0.000727 0.008628 -0.008735 0.008854 -0.008410 26O 1f+2 -0.002905 0.003649 -0.002567 0.005392 -0.009809 0.002679 26O 1f-2 -0.006765 0.003764 -0.001658 0.001092 -0.005867 -0.000577 26O 1f+3 -0.001816 0.005532 -0.001482 -0.001496 -0.005184 0.001560 26O 1f-3 0.002476 0.000654 -0.003287 -0.006409 0.004145 0.006072 27O 1s -0.000040 0.000183 0.000285 0.001977 0.000809 -0.000549 27O 2s -0.000081 0.000212 -0.000672 0.001216 0.001900 0.000208 27O 3s 0.004287 -0.005608 0.027250 -0.029813 -0.045870 -0.014651 27O 4s -0.027266 0.005008 -0.098874 0.141084 0.107690 -0.006247 27O 5s -0.021819 0.059978 -0.329066 -0.160224 0.136748 0.521710 27O 1pz -0.001061 -0.001445 0.001533 -0.001687 -0.004344 -0.004411 27O 1px 0.002782 0.001016 -0.009295 0.004636 0.004378 0.008032 27O 1py 0.004228 0.001141 0.000128 0.001009 0.005146 0.004117 27O 2pz 0.003599 0.006506 -0.025502 -0.010260 0.044052 0.029042 27O 2px 0.006487 -0.015900 0.084738 -0.103419 -0.014606 -0.069285 27O 2py -0.016607 -0.005998 0.014385 0.044639 -0.059731 -0.022200 27O 3pz -0.060999 0.026939 -0.069852 -0.103166 0.095902 0.127880 27O 3px 0.022478 0.019177 0.013946 -0.099742 0.081012 -0.048749 27O 3py -0.052606 -0.027174 0.079434 0.177265 -0.157258 -0.158465 27O 1dz2 0.006282 -0.001069 0.001399 -0.002765 0.001994 -0.001854 27O 1dxz -0.004414 0.003945 -0.000609 -0.004003 0.005256 0.001865 27O 1dyz -0.001475 0.000947 0.008064 0.009196 -0.004803 -0.000296 27O 1dx2y2 0.006603 0.001038 0.005589 0.013383 -0.009855 0.001022 27O 1dxy -0.008054 0.001192 0.002409 0.002618 -0.004487 -0.004886 27O 2dz2 -0.009866 -0.002264 0.011255 -0.006028 -0.010569 -0.013018 27O 2dxz 0.013858 -0.010750 0.001448 -0.009495 -0.008301 -0.004899 27O 2dyz -0.001615 -0.002353 -0.004385 0.004219 -0.016814 -0.016607 27O 2dx2y2 -0.019199 0.005555 -0.023529 0.016066 0.009115 0.010446 27O 2dxy 0.025269 -0.001538 0.007549 0.004869 0.000534 -0.004110 27O 1f0 0.001067 0.000907 -0.004318 -0.003463 -0.000975 0.005051 27O 1f+1 0.002584 -0.000950 -0.003253 0.004297 -0.002490 0.005501 27O 1f-1 0.002467 -0.001213 -0.003864 -0.003033 0.004590 0.002250 27O 1f+2 -0.003550 0.001502 -0.010334 -0.005091 0.010402 0.008588 27O 1f-2 0.001836 0.001119 0.000689 -0.002744 0.001824 0.000232 27O 1f+3 -0.001873 0.003619 -0.003716 0.006197 0.000846 0.003796 27O 1f-3 -0.002229 0.002879 -0.003366 -0.006739 0.011961 -0.000792 28O 1s 0.000049 0.000543 -0.000354 -0.001985 0.000846 -0.000712 28O 2s 0.000065 0.000524 0.000520 -0.001278 0.001968 0.000062 28O 3s -0.005255 -0.012846 -0.023136 0.031964 -0.047613 -0.011198 28O 4s 0.054889 0.006876 0.086954 -0.146365 0.114102 -0.019610 28O 5s -0.078752 0.120428 0.301423 0.130350 0.122742 0.520365 28O 1pz 0.002193 -0.001573 0.005411 -0.001354 -0.001596 0.000736 28O 1px 0.008800 -0.004958 -0.007338 0.005878 -0.006466 -0.008188 28O 1py 0.005490 -0.002346 -0.000547 0.001406 -0.004044 -0.002908 28O 2pz -0.022289 -0.011938 -0.032359 0.087108 0.040543 -0.011913 28O 2px -0.013864 0.040422 0.076798 -0.077306 0.045848 0.065647 28O 2py -0.020541 0.007517 0.014066 0.023997 0.045068 0.018711 28O 3pz -0.014964 0.099371 0.082975 0.200467 0.192593 0.140241 28O 3px 0.021031 -0.004756 0.046875 -0.000677 0.006641 0.127505 28O 3py -0.050166 0.054935 0.061304 0.121546 0.114762 0.130738 28O 1dz2 -0.004076 0.000419 0.002892 0.005718 0.006448 0.003245 28O 1dxz 0.005162 -0.005208 0.002802 0.010128 0.005512 -0.003015 28O 1dyz -0.001141 -0.004382 0.008175 0.009311 0.007436 0.002960 28O 1dx2y2 -0.005859 -0.000456 -0.000850 -0.007551 -0.007376 -0.000487 28O 1dxy 0.006623 -0.003108 0.003036 0.002910 -0.000569 -0.001976 28O 2dz2 0.009888 -0.005160 0.001048 0.006799 -0.002576 0.003524 28O 2dxz -0.022594 -0.005209 -0.020796 0.013615 -0.005101 -0.008389 28O 2dyz 0.000176 0.006975 -0.003952 0.005840 0.011025 0.014905 28O 2dx2y2 0.014892 0.016446 0.011319 -0.015243 0.014478 0.011340 28O 2dxy -0.024133 0.009068 -0.004206 -0.002065 0.012479 0.008490 28O 1f0 0.002796 0.002772 0.005126 -0.001731 0.003945 0.004674 28O 1f+1 -0.005093 -0.002772 -0.001970 -0.006375 -0.011245 0.000915 28O 1f-1 0.003797 0.000919 -0.005565 -0.004253 -0.002786 -0.007039 28O 1f+2 0.001152 -0.002407 -0.001698 0.007853 0.002540 -0.002760 28O 1f-2 -0.003562 -0.003317 -0.007974 -0.004864 -0.009750 -0.005438 28O 1f+3 -0.002868 -0.004937 -0.005425 0.000747 -0.005782 -0.005231 28O 1f-3 -0.000471 -0.003109 0.002253 -0.001703 -0.004354 0.003000 29O 1s 0.000206 -0.000285 0.002544 0.000043 0.000074 -0.001579 29O 2s 0.000173 -0.000228 0.002606 0.000043 0.000078 -0.001654 29O 3s -0.002739 0.002970 -0.046818 -0.000598 -0.001645 0.028453 29O 4s 0.010618 -0.010133 0.033110 -0.000826 0.002368 0.007403 29O 5s -0.035408 0.046932 0.230898 0.006147 0.006565 -0.255532 29O 1pz -0.004193 0.003728 -0.008842 0.002688 -0.002922 0.007329 29O 1px -0.002194 0.000829 0.026548 0.001642 -0.000399 -0.021484 29O 1py -0.001639 0.002070 0.007620 -0.000104 0.000376 -0.006029 29O 2pz 0.009768 -0.007501 0.019399 -0.013249 0.013510 -0.016554 29O 2px 0.004342 0.001318 -0.061459 -0.006749 0.004050 0.049403 29O 2py 0.005309 -0.007470 -0.038671 0.000949 -0.002695 0.029714 29O 3pz 0.036726 -0.050568 0.013142 -0.010290 0.017702 -0.022818 29O 3px 0.011752 -0.015937 -0.069201 -0.005182 0.003861 0.083276 29O 3py 0.003022 -0.012827 -0.068212 -0.000172 -0.005289 0.055184 29O 1dz2 -0.007462 0.006467 0.006822 -0.002481 0.003262 -0.005825 29O 1dxz 0.013582 -0.013023 0.012172 0.000202 0.000413 -0.010569 29O 1dyz 0.006575 -0.004972 0.002636 -0.007352 0.008813 -0.002535 29O 1dx2y2 0.004810 -0.003140 -0.020902 -0.001318 0.000505 0.017678 29O 1dxy 0.004166 -0.004965 -0.007221 -0.003333 0.003575 0.005371 29O 2dz2 0.013891 -0.011446 -0.014838 0.007822 -0.009698 0.014152 29O 2dxz -0.028310 0.028122 -0.030225 -0.003264 0.002045 0.027366 29O 2dyz -0.017510 0.013027 -0.006279 0.019363 -0.022739 0.006523 29O 2dx2y2 -0.009874 0.005807 0.056302 0.002234 0.000173 -0.049078 29O 2dxy -0.009149 0.009436 0.013796 0.008947 -0.009734 -0.011137 29O 1f0 -0.002168 0.001425 -0.007511 0.000915 -0.001444 0.006716 29O 1f+1 -0.003633 0.003885 0.003681 -0.001117 0.001515 -0.003457 29O 1f-1 -0.001402 0.000603 -0.004879 -0.000506 0.000345 0.003668 29O 1f+2 0.002977 -0.003543 0.008740 0.002161 -0.001974 -0.007931 29O 1f-2 0.003329 -0.001881 -0.001047 -0.000600 0.000581 0.000560 29O 1f+3 -0.001358 0.001373 0.012759 -0.000456 0.001243 -0.011356 29O 1f-3 -0.003533 0.003289 0.004180 0.000894 -0.000840 -0.003572 30O 1s 0.000189 0.000174 -0.000132 0.002070 -0.000762 -0.000533 30O 2s 0.000138 0.000061 0.000813 0.001314 -0.001827 0.000184 30O 3s -0.002503 -0.000355 -0.029477 -0.031574 0.044232 -0.012903 30O 4s 0.029824 -0.014397 0.115880 0.143606 -0.102374 -0.016388 30O 5s -0.198339 -0.013779 0.241244 -0.151010 -0.113282 0.474861 30O 1pz -0.002363 -0.001347 0.003250 0.001171 0.001037 0.000801 30O 1px 0.005173 -0.001197 -0.006613 -0.005836 0.007238 -0.009409 30O 1py -0.001323 0.001326 -0.003631 -0.000152 -0.002358 0.001644 30O 2pz 0.009273 0.002661 -0.020173 -0.062711 -0.025262 -0.009253 30O 2px -0.021321 0.003395 0.074046 0.062514 -0.052992 0.066251 30O 2py 0.000528 -0.004942 0.014017 0.073586 0.046496 -0.004819 30O 3pz 0.058730 0.045759 0.011721 -0.131018 -0.121384 0.043704 30O 3px -0.037735 -0.010737 0.060056 -0.036957 -0.027084 0.150348 30O 3py 0.063309 -0.040013 -0.057550 0.202088 0.190932 -0.114622 30O 1dz2 -0.001546 0.003089 -0.001319 0.000790 -0.001371 0.001577 30O 1dxz -0.008056 -0.005408 0.003285 -0.008816 -0.005757 -0.002010 30O 1dyz 0.004021 0.000733 -0.008833 0.005736 0.004905 -0.004909 30O 1dx2y2 -0.002167 0.000618 -0.003000 0.008233 0.008639 -0.003694 30O 1dxy -0.008490 0.001598 -0.006513 0.011651 0.005827 0.003142 30O 2dz2 0.001691 -0.007271 -0.003738 -0.005962 0.011958 -0.013003 30O 2dxz 0.020678 0.008281 -0.013554 -0.011298 0.004686 -0.004292 30O 2dyz -0.004540 -0.000612 -0.000683 0.000751 0.012413 -0.014155 30O 2dx2y2 0.000753 0.002871 0.004382 0.013908 -0.010921 0.008326 30O 2dxy 0.022894 -0.002364 0.017257 0.009217 0.004392 -0.004354 30O 1f0 -0.002698 -0.001453 0.006945 -0.000511 -0.002920 0.008854 30O 1f+1 -0.000696 0.001169 0.001854 0.000861 0.003847 0.002332 30O 1f-1 -0.003801 -0.000348 -0.000740 0.000277 0.002399 0.000404 30O 1f+2 0.000892 -0.000692 0.000748 -0.004020 0.003012 0.001720 30O 1f-2 0.000603 -0.001365 0.004706 -0.010024 -0.009921 0.000733 30O 1f+3 -0.002783 -0.003794 -0.005680 0.006490 0.012797 -0.003834 30O 1f-3 -0.001513 -0.000698 -0.006259 -0.003371 0.001987 -0.006449 31O 1s 0.000234 -0.000179 0.000117 0.002074 0.000752 -0.000525 31O 2s 0.000182 -0.000068 -0.000831 0.001323 0.001820 0.000195 31O 3s -0.003599 0.000514 0.029901 -0.031780 -0.044054 -0.013191 31O 4s 0.030189 0.013701 -0.117244 0.144043 0.101600 -0.015485 31O 5s -0.186381 0.013764 -0.243717 -0.150319 0.112839 0.477728 31O 1pz 0.002381 -0.001326 0.003248 -0.001161 0.001034 -0.000814 31O 1px -0.004685 -0.001170 -0.006630 0.005875 0.007175 0.009425 31O 1py 0.001105 0.001333 -0.003644 0.000143 -0.002370 -0.001625 31O 2pz -0.008250 0.002477 -0.020510 0.062580 -0.025607 0.009583 31O 2px 0.017675 0.003467 0.074559 -0.062757 -0.052480 -0.066684 31O 2py -0.000926 -0.004814 0.014372 -0.073364 0.046992 0.004485 31O 3pz -0.064979 0.045286 0.010349 0.130477 -0.122445 -0.042429 31O 3px 0.036875 -0.010701 0.061434 0.036755 -0.026946 -0.151717 31O 3py -0.054219 -0.039491 -0.055723 -0.201374 0.192427 0.113549 31O 1dz2 -0.001381 -0.003097 0.001318 0.000791 0.001376 0.001595 31O 1dxz -0.008272 0.005349 -0.003325 -0.008785 0.005804 -0.001950 31O 1dyz 0.004161 -0.000743 0.008798 0.005720 -0.004942 -0.004902 31O 1dx2y2 -0.002242 -0.000654 0.003043 0.008180 -0.008671 -0.003724 31O 1dxy -0.007853 -0.001572 0.006591 0.011622 -0.005885 0.003109 31O 2dz2 0.000742 0.007270 0.003790 -0.005972 -0.011958 -0.013074 31O 2dxz 0.020008 -0.008073 0.013835 -0.011334 -0.004607 -0.004600 31O 2dyz -0.005216 0.000668 0.000876 0.000669 -0.012359 -0.014289 31O 2dx2y2 0.002058 -0.002788 -0.004531 0.014004 0.010803 0.008441 31O 2dxy 0.022575 0.002215 -0.017632 0.009190 -0.004487 -0.004131 31O 1f0 0.002445 -0.001453 0.006964 0.000498 -0.002917 -0.008874 31O 1f+1 0.001016 0.001164 0.001866 -0.000841 0.003851 -0.002343 31O 1f-1 0.003950 -0.000342 -0.000749 -0.000271 0.002406 -0.000407 31O 1f+2 -0.000460 -0.000721 0.000752 0.004041 0.003002 -0.001710 31O 1f-2 -0.000716 -0.001354 0.004652 0.009975 -0.009984 -0.000694 31O 1f+3 0.003221 -0.003797 -0.005673 -0.006427 0.012844 0.003838 31O 1f-3 0.001797 -0.000709 -0.006285 0.003377 0.001968 0.006465 32O 1s 0.000250 0.000281 -0.002542 0.000043 -0.000073 -0.001579 32O 2s 0.000210 0.000222 -0.002606 0.000044 -0.000075 -0.001656 32O 3s -0.003206 -0.002756 0.046851 -0.000631 0.001573 0.028500 32O 4s 0.011975 0.009486 -0.033189 -0.000769 -0.002310 0.007306 32O 5s -0.041906 -0.047175 -0.231386 0.006202 -0.005950 -0.255936 32O 1pz 0.004143 0.003711 -0.008919 -0.002679 -0.002879 -0.007387 32O 1px 0.002037 0.000763 0.026509 -0.001593 -0.000370 0.021466 32O 1py 0.002089 0.002084 0.007650 0.000066 0.000335 0.006057 32O 2pz -0.009775 -0.007358 0.020074 0.013174 0.013312 0.017073 32O 2px -0.003579 0.001741 -0.061167 0.006551 0.003850 -0.049215 32O 2py -0.006613 -0.007738 -0.038849 -0.000684 -0.002367 -0.029854 32O 3pz -0.035956 -0.050636 0.013813 0.010261 0.017511 0.023330 32O 3px -0.010358 -0.015889 -0.068904 0.005151 0.003749 -0.083046 32O 3py -0.007732 -0.013858 -0.068513 0.000307 -0.004802 -0.055428 32O 1dz2 -0.007439 -0.006621 -0.006812 -0.002465 -0.003209 -0.005829 32O 1dxz 0.013469 0.012986 -0.012129 0.000222 -0.000376 -0.010515 32O 1dyz 0.006122 0.005042 -0.002495 -0.007410 -0.008772 -0.002425 32O 1dx2y2 0.004014 0.002992 0.020885 -0.001258 -0.000438 0.017680 32O 1dxy 0.005220 0.005035 0.007283 -0.003304 -0.003516 0.005436 32O 2dz2 0.013817 0.011765 0.014787 0.007620 0.009389 0.014129 32O 2dxz -0.028229 -0.028141 0.030039 -0.003346 -0.002126 0.027172 32O 2dyz -0.016625 -0.013203 0.005758 0.019504 0.022615 0.006133 32O 2dx2y2 -0.007974 -0.005443 -0.056313 0.001990 -0.000427 -0.049132 32O 2dxy -0.011017 -0.009484 -0.014009 0.008780 0.009447 -0.011341 32O 1f0 0.002090 0.001388 -0.007208 -0.000971 -0.001468 -0.006480 32O 1f+1 0.003622 0.003973 0.003899 0.001145 0.001537 0.003639 32O 1f-1 0.001303 0.000548 -0.004977 0.000488 0.000333 -0.003739 32O 1f+2 -0.002928 -0.003444 0.008948 -0.002195 -0.001990 0.008082 32O 1f-2 -0.003121 -0.001990 -0.001113 0.000620 0.000599 -0.000615 32O 1f+3 0.001014 0.001302 0.012677 0.000385 0.001136 0.011294 32O 1f-3 0.004042 0.003288 0.004233 -0.000864 -0.000806 0.003629 33O 1s 0.000034 -0.000540 0.000346 -0.001989 -0.000840 -0.000706 33O 2s 0.000058 -0.000521 -0.000529 -0.001290 -0.001964 0.000068 33O 3s -0.005165 0.012761 0.023323 0.032262 0.047485 -0.011332 33O 4s 0.055923 -0.006407 -0.087598 -0.147183 -0.113389 -0.019224 33O 5s -0.078270 -0.120380 -0.300820 0.129356 -0.122144 0.520982 33O 1pz -0.002282 -0.001587 0.005391 0.001356 -0.001631 -0.000731 33O 1px -0.008876 -0.004979 -0.007313 -0.005936 -0.006422 0.008179 33O 1py -0.005639 -0.002366 -0.000504 -0.001418 -0.004020 0.002885 33O 2pz 0.022567 -0.011719 -0.032291 -0.086909 0.041173 0.012057 33O 2px 0.014256 0.040371 0.076832 0.077789 0.045314 -0.065794 33O 2py 0.020937 0.007589 0.013886 -0.023850 0.045130 -0.018549 33O 3pz 0.018721 0.099475 0.082710 -0.199507 0.193983 -0.140129 33O 3px -0.023361 -0.004860 0.047274 0.000865 0.006236 -0.128052 33O 3py 0.053223 0.054471 0.060865 -0.121244 0.115831 -0.130751 33O 1dz2 -0.003928 -0.000422 -0.002870 0.005670 -0.006485 0.003227 33O 1dxz 0.005295 0.005257 -0.002840 0.010078 -0.005544 -0.003011 33O 1dyz -0.001122 0.004386 -0.008191 0.009266 -0.007485 0.002952 33O 1dx2y2 -0.006092 0.000472 0.000905 -0.007513 0.007406 -0.000485 33O 1dxy 0.007072 0.003084 -0.003081 0.002907 0.000565 -0.001990 33O 2dz2 0.009802 0.005236 -0.001080 0.006903 0.002575 0.003527 33O 2dxz -0.022668 0.005020 0.020920 0.013703 0.004936 -0.008492 33O 2dyz 0.000253 -0.007046 0.003937 0.005757 -0.011051 0.014950 33O 2dx2y2 0.015011 -0.016477 -0.011468 -0.015388 -0.014365 0.011411 33O 2dxy -0.025133 -0.008981 0.004387 -0.002067 -0.012500 0.008471 33O 1f0 -0.002650 0.002777 0.005130 0.001782 0.003902 -0.004691 33O 1f+1 0.004794 -0.002775 -0.001990 0.006300 -0.011297 -0.000906 33O 1f-1 -0.003871 0.000906 -0.005563 0.004222 -0.002791 0.007025 33O 1f+2 -0.001354 -0.002386 -0.001704 -0.007831 0.002559 0.002782 33O 1f-2 0.003581 -0.003265 -0.007966 0.004815 -0.009786 0.005428 33O 1f+3 0.002957 -0.004959 -0.005442 -0.000796 -0.005790 0.005243 33O 1f-3 0.000459 -0.003081 0.002272 0.001688 -0.004356 -0.003009 34O 1s 0.000018 -0.000180 -0.000275 0.001970 -0.000819 -0.000543 34O 2s -0.000027 -0.000207 0.000684 0.001204 -0.001906 0.000213 34O 3s 0.003018 0.005510 -0.027482 -0.029540 0.046021 -0.014814 34O 4s -0.025980 -0.004585 0.099562 0.140441 -0.108463 -0.005680 34O 5s -0.013931 -0.060761 0.328361 -0.160221 -0.135875 0.522980 34O 1pz 0.001290 -0.001455 0.001548 0.001662 -0.004337 0.004420 34O 1px -0.003042 0.001059 -0.009271 -0.004623 0.004392 -0.008030 34O 1py -0.004529 0.001167 0.000098 -0.000967 0.005153 -0.004106 34O 2pz -0.004623 0.006512 -0.025618 0.010477 0.043943 -0.029093 34O 2px -0.002965 -0.015977 0.084663 0.103437 -0.015097 0.069567 34O 2py 0.017142 -0.006057 0.014575 -0.045023 -0.059499 0.022069 34O 3pz 0.055910 0.027323 -0.069766 0.103400 0.095398 -0.127870 34O 3px -0.028188 0.019473 0.014711 0.100107 0.080490 0.049885 34O 3py 0.061842 -0.027399 0.078315 -0.177739 -0.156333 0.158132 34O 1dz2 0.006277 0.001111 -0.001420 -0.002784 -0.001988 -0.001845 34O 1dxz -0.004368 -0.003968 0.000630 -0.004042 -0.005241 0.001873 34O 1dyz -0.000878 -0.000967 -0.008085 0.009229 0.004770 -0.000296 34O 1dx2y2 0.007027 -0.001080 -0.005652 0.013427 0.009785 0.001019 34O 1dxy -0.008362 -0.001187 -0.002386 0.002635 0.004468 -0.004873 34O 2dz2 -0.010701 0.002152 -0.011231 -0.005957 0.010617 -0.013103 34O 2dxz 0.013005 0.010831 -0.001509 -0.009429 0.008353 -0.004939 34O 2dyz -0.002762 0.002416 0.004427 0.004269 0.016753 -0.016600 34O 2dx2y2 -0.018381 -0.005411 0.023685 0.016033 -0.009192 0.010558 34O 2dxy 0.025995 0.001506 -0.007644 0.004864 -0.000543 -0.004213 34O 1f0 -0.000724 0.000914 -0.004327 0.003455 -0.000989 -0.005048 34O 1f+1 -0.002725 -0.000960 -0.003255 -0.004313 -0.002476 -0.005508 34O 1f-1 -0.002621 -0.001232 -0.003848 0.003060 0.004585 -0.002242 34O 1f+2 0.003185 0.001488 -0.010351 0.005143 0.010377 -0.008591 34O 1f-2 -0.001814 0.001126 0.000683 0.002759 0.001815 -0.000225 34O 1f+3 0.001568 0.003612 -0.003721 -0.006194 0.000876 -0.003808 34O 1f-3 0.001904 0.002845 -0.003353 0.006794 0.011930 0.000811 35O 1s -0.000249 -0.000526 -0.000133 -0.002014 0.000726 -0.000540 35O 2s -0.000216 -0.000451 0.000791 -0.001269 0.001853 0.000242 35O 3s 0.006193 0.010498 -0.029675 0.030549 -0.045910 -0.014618 35O 4s -0.058821 -0.001918 0.119220 -0.136928 0.110072 -0.012752 35O 5s 0.254849 -0.066552 0.278505 0.134346 0.148699 0.511679 35O 1pz 0.005674 -0.004304 0.000031 -0.002360 0.005862 0.006176 35O 1px -0.008492 0.002855 -0.007984 0.005168 -0.005490 -0.008477 35O 1py 0.001060 -0.001510 -0.002412 0.000202 0.001399 0.001003 35O 2pz -0.017931 0.014522 -0.021304 -0.032575 -0.066558 -0.039546 35O 2px 0.023243 -0.030988 0.079305 -0.094735 0.027577 0.061531 35O 2py -0.004096 -0.001836 0.015648 -0.055110 -0.030437 -0.002203 35O 3pz -0.032487 0.101013 -0.038723 -0.165300 -0.161085 -0.155192 35O 3px 0.056457 0.067416 0.068172 -0.072573 -0.057236 0.096445 35O 3py -0.046189 0.086094 -0.006225 -0.129984 -0.127538 -0.064487 35O 1dz2 -0.000280 0.005857 0.007489 0.011410 0.007633 -0.000206 35O 1dxz 0.004304 -0.004934 0.000333 0.000996 0.004341 0.005731 35O 1dyz -0.002470 0.004248 0.008961 0.010413 0.007296 0.002927 35O 1dx2y2 0.000832 -0.002269 -0.001464 -0.008570 -0.007541 -0.000674 35O 1dxy 0.008314 -0.002318 0.000374 -0.004199 -0.001504 0.003415 35O 2dz2 0.006924 -0.002824 -0.019221 0.008736 -0.000523 0.000296 35O 2dxz -0.013662 0.016039 0.003817 0.008154 -0.009630 -0.010191 35O 2dyz 0.011142 -0.006299 -0.005390 0.004219 0.012259 0.014059 35O 2dx2y2 0.000396 -0.009997 0.012946 -0.014311 0.014158 0.013522 35O 2dxy -0.022497 -0.002045 0.015025 -0.004644 0.008620 0.010496 35O 1f0 -0.003164 -0.003141 0.002296 0.003402 0.008455 0.001067 35O 1f+1 0.000523 0.001555 -0.005452 0.004134 -0.000839 -0.006101 35O 1f-1 -0.000914 -0.000724 0.008621 0.008820 0.008834 0.008416 35O 1f+2 0.003098 0.003661 -0.002566 -0.005449 -0.009783 -0.002689 35O 1f-2 0.006760 0.003778 -0.001661 -0.001112 -0.005863 0.000588 35O 1f+3 0.001794 0.005518 -0.001481 0.001461 -0.005190 -0.001574 35O 1f-3 -0.002477 0.000648 -0.003335 0.006440 0.004111 -0.006105 750 751 752 753 754 755 22.34119 22.34632 22.34779 22.34979 23.30473 23.31942 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s -0.000135 0.000368 -0.000820 0.000145 -0.001368 -0.000177 0Rh 2s -0.000557 0.001460 -0.003364 0.000560 -0.006256 -0.000712 0Rh 3s -0.001190 0.003212 -0.007213 0.001256 -0.012394 -0.001549 0Rh 4s 0.001213 -0.002832 0.007231 -0.000998 0.016626 0.001369 0Rh 5s 0.000876 -0.004917 0.006037 -0.002543 -0.008804 0.002688 0Rh 6s -0.000091 0.008834 -0.003013 0.005438 0.033219 -0.005584 0Rh 7s -0.031329 -0.034802 -0.151317 -0.036266 -0.233669 0.018992 0Rh 8s 0.008231 -0.059464 0.025012 -0.013658 -0.060246 0.008677 0Rh 1pz -0.000011 -0.000333 -0.000307 -0.000480 -0.000387 0.000557 0Rh 1px 0.000088 -0.000244 0.000450 0.000007 0.000961 0.000266 0Rh 1py 0.000147 0.000438 0.000128 -0.000452 0.000180 -0.000481 0Rh 2pz 0.000055 0.001553 0.001427 0.002225 0.001794 -0.002686 0Rh 2px -0.000414 0.001136 -0.002120 -0.000035 -0.004472 -0.001281 0Rh 2py -0.000677 -0.002030 -0.000600 0.002098 -0.000843 0.002319 0Rh 3pz -0.000359 -0.008016 -0.007217 -0.011128 -0.008917 0.015650 0Rh 3px 0.002219 -0.005830 0.011391 0.000214 0.022563 0.007449 0Rh 3py 0.003259 0.010144 0.003188 -0.010667 0.004346 -0.013525 0Rh 4pz 0.001073 0.019015 0.016716 0.025321 0.019451 -0.039208 0Rh 4px -0.005481 0.013734 -0.028163 -0.000567 -0.050020 -0.018594 0Rh 4py -0.007111 -0.023051 -0.007790 0.024832 -0.009907 0.033924 0Rh 5pz -0.002107 -0.027939 -0.024121 -0.035657 -0.024318 0.048616 0Rh 5px 0.008778 -0.019927 0.044085 0.001096 0.063679 0.022533 0Rh 5py 0.009310 0.032386 0.011825 -0.035713 0.012523 -0.042238 0Rh 6pz 0.021147 0.025833 -0.038475 0.064892 0.043254 0.043285 0Rh 6px -0.031884 0.044734 -0.115114 -0.002179 -0.176969 0.030990 0Rh 6py 0.068515 -0.067321 -0.020403 0.046597 -0.009240 -0.027458 0Rh 1dz2 -0.001579 0.001323 -0.000261 0.000481 -0.001107 -0.001901 0Rh 1dxz -0.000125 -0.002293 -0.000278 -0.001626 -0.001605 0.003019 0Rh 1dyz -0.001898 -0.000820 0.000295 -0.000377 -0.000291 0.001476 0Rh 1dx2y2 -0.000570 -0.001166 0.000654 0.000450 0.002349 0.002198 0Rh 1dxy -0.001108 0.001449 0.000800 -0.002882 0.000564 -0.002600 0Rh 2dz2 0.004409 -0.003651 0.000711 -0.001307 0.003147 0.005248 0Rh 2dxz 0.000336 0.006331 0.000762 0.004484 0.004563 -0.008345 0Rh 2dyz 0.005393 0.002257 -0.000845 0.001086 0.000824 -0.004071 0Rh 2dx2y2 0.001589 0.003212 -0.001811 -0.001235 -0.006681 -0.006067 0Rh 2dxy 0.003123 -0.004001 -0.002223 0.007972 -0.001613 0.007186 0Rh 3dz2 -0.007389 0.005878 -0.001091 0.001982 -0.005527 -0.008173 0Rh 3dxz -0.000500 -0.010211 -0.001181 -0.007186 -0.007997 0.013042 0Rh 3dyz -0.009496 -0.003598 0.001530 -0.002015 -0.001429 0.006294 0Rh 3dx2y2 -0.002648 -0.005129 0.002938 0.001941 0.011722 0.009423 0Rh 3dxy -0.005378 0.006448 0.003652 -0.012928 0.002914 -0.011217 0Rh 4dz2 0.011407 -0.008084 0.001211 -0.001867 0.010576 0.009550 0Rh 4dxz 0.000514 0.014144 0.001323 0.009596 0.015144 -0.015480 0Rh 4dyz 0.016213 0.004616 -0.002859 0.004599 0.002599 -0.007007 0Rh 4dx2y2 0.004099 0.006718 -0.003983 -0.002369 -0.022305 -0.010786 0Rh 4dxy 0.008827 -0.008864 -0.005263 0.018357 -0.006204 0.013287 0Rh 5dz2 -0.015439 0.010922 -0.002222 -0.009474 -0.027794 -0.012011 0Rh 5dxz -0.001155 -0.020321 -0.001595 -0.010233 -0.039661 0.021496 0Rh 5dyz -0.017564 -0.000326 0.005311 -0.030677 -0.006432 0.006883 0Rh 5dx2y2 -0.005524 -0.003902 0.006943 0.000962 0.058494 0.011446 0Rh 5dxy -0.011786 0.012595 0.007841 -0.031498 0.017967 -0.019068 0Rh 1f0 -0.000309 -0.000181 0.000399 0.000396 0.000281 -0.003085 0Rh 1f+1 0.000689 -0.000078 -0.000327 0.000763 -0.000077 0.001389 0Rh 1f-1 -0.000576 0.000359 -0.000047 0.000380 0.000147 0.000774 0Rh 1f+2 -0.000423 -0.000413 -0.000056 -0.000432 0.000016 -0.005778 0Rh 1f-2 0.001727 -0.000431 -0.000433 0.000767 0.000133 -0.003765 0Rh 1f+3 -0.000169 0.000561 -0.000361 -0.000131 -0.000244 0.004379 0Rh 1f-3 -0.000957 -0.000598 -0.000076 0.000017 -0.000016 -0.001912 1Rh 1s -0.000140 -0.000277 -0.000830 -0.000279 -0.001374 0.000179 1Rh 2s -0.000578 -0.001089 -0.003406 -0.001113 -0.006279 0.000724 1Rh 3s -0.001237 -0.002415 -0.007306 -0.002440 -0.012443 0.001570 1Rh 4s 0.001253 0.002036 0.007312 0.002187 0.016670 -0.001406 1Rh 5s 0.000952 0.004233 0.006187 0.003529 -0.008723 -0.002625 1Rh 6s -0.000234 -0.008446 -0.003307 -0.005921 0.033054 0.005399 1Rh 7s -0.030845 0.050713 -0.149372 0.011593 -0.233180 -0.018029 1Rh 8s 0.008620 0.056853 0.029754 0.018127 -0.060342 -0.008511 1Rh 1pz -0.000010 -0.000367 0.000349 -0.000421 0.000392 0.000556 1Rh 1px -0.000088 -0.000193 -0.000466 -0.000068 -0.000959 0.000268 1Rh 1py -0.000174 0.000442 -0.000010 -0.000452 -0.000175 -0.000479 1Rh 2pz 0.000044 0.001707 -0.001618 0.001951 -0.001821 -0.002680 1Rh 2px 0.000414 0.000898 0.002195 0.000320 0.004466 -0.001292 1Rh 2py 0.000803 -0.002047 0.000050 0.002099 0.000818 0.002312 1Rh 3pz -0.000131 -0.008796 0.008147 -0.009754 0.009084 0.015623 1Rh 3px -0.002219 -0.004559 -0.011775 -0.001693 -0.022526 0.007506 1Rh 3py -0.003899 0.010254 -0.000397 -0.010715 -0.004195 -0.013489 1Rh 4pz 0.000017 0.020822 -0.018742 0.022172 -0.019886 -0.039147 1Rh 4px 0.005476 0.010600 0.029065 0.004142 0.049923 -0.018730 1Rh 4py 0.008604 -0.023361 0.001314 0.025045 0.009523 0.033845 1Rh 5pz 0.000603 -0.030546 0.026836 -0.031183 0.024857 0.048535 1Rh 5px -0.008758 -0.015027 -0.045389 -0.006242 -0.063535 0.022744 1Rh 5py -0.011461 0.032926 -0.002527 -0.036193 -0.012058 -0.042148 1Rh 6pz -0.016810 0.022952 0.028510 0.073026 -0.042456 0.043195 1Rh 6px 0.032066 0.032530 0.117512 0.016421 0.176633 0.029766 1Rh 6py -0.065266 -0.070523 0.006212 0.053780 0.010302 -0.026709 1Rh 1dz2 -0.001592 -0.001324 -0.000317 -0.000487 -0.001088 0.001906 1Rh 1dxz -0.000083 0.002318 -0.000303 0.001568 -0.001644 -0.003013 1Rh 1dyz -0.001913 0.000756 0.000310 0.000535 -0.000285 -0.001475 1Rh 1dx2y2 -0.000613 0.001080 0.000842 -0.000307 0.002357 -0.002199 1Rh 1dxy -0.000939 -0.001519 0.000122 0.003009 0.000519 0.002596 1Rh 2dz2 0.004445 0.003657 0.000871 0.001320 0.003095 -0.005262 1Rh 2dxz 0.000223 -0.006400 0.000828 -0.004325 0.004671 0.008331 1Rh 2dyz 0.005431 -0.002077 -0.000878 -0.001534 0.000807 0.004068 1Rh 2dx2y2 0.001708 -0.002973 -0.002328 0.000837 -0.006702 0.006070 1Rh 2dxy 0.002656 0.004198 -0.000349 -0.008328 -0.001489 -0.007175 1Rh 3dz2 -0.007441 -0.005898 -0.001373 -0.001980 -0.005447 0.008196 1Rh 3dxz -0.000320 0.010317 -0.001280 0.006937 -0.008164 -0.013017 1Rh 3dyz -0.009547 0.003279 0.001528 0.002801 -0.001403 -0.006290 1Rh 3dx2y2 -0.002837 0.004742 0.003757 -0.001292 0.011758 -0.009429 1Rh 3dxy -0.004623 -0.006778 0.000615 0.013530 0.002720 0.011197 1Rh 4dz2 0.011449 0.008159 0.001754 0.001774 0.010492 -0.009584 1Rh 4dxz 0.000284 -0.014256 0.001404 -0.009305 0.015337 0.015433 1Rh 4dyz 0.016226 -0.004063 -0.002489 -0.005930 0.002571 0.007003 1Rh 4dx2y2 0.004345 -0.006193 -0.005026 0.001470 -0.022359 0.010812 1Rh 4dxy 0.007772 0.009363 -0.000975 -0.019289 -0.005970 -0.013248 1Rh 5dz2 -0.015123 -0.010866 -0.004905 0.009187 -0.027708 0.012065 1Rh 5dxz -0.001014 0.020411 -0.001074 0.009927 -0.039918 -0.021359 1Rh 5dyz -0.016869 -0.000232 0.000159 0.032037 -0.006462 -0.006912 1Rh 5dx2y2 -0.005767 0.003097 0.007374 0.000394 0.058561 -0.011586 1Rh 5dxy -0.010213 -0.013279 0.000785 0.032751 0.017635 0.018945 1Rh 1f0 0.000349 -0.000128 -0.000493 0.000304 -0.000261 -0.003081 1Rh 1f+1 -0.000638 -0.000117 0.000170 0.000838 0.000109 0.001387 1Rh 1f-1 0.000594 0.000367 0.000022 0.000365 -0.000060 0.000777 1Rh 1f+2 0.000413 -0.000413 0.000072 -0.000442 -0.000066 -0.005767 1Rh 1f-2 -0.001693 -0.000495 0.000248 0.000910 -0.000099 -0.003765 1Rh 1f+3 0.000158 0.000524 0.000429 -0.000070 0.000251 0.004381 1Rh 1f-3 0.000970 -0.000588 0.000027 -0.000021 0.000039 -0.001902 2C 1s -0.583050 -0.430759 0.858734 -0.821619 -0.028434 -0.009092 2C 2s 0.739137 0.546166 -1.088871 1.041851 0.036047 0.011412 2C 3s -0.661381 -0.482966 0.958930 -0.913065 -0.080081 -0.027947 2C 4s 0.269891 0.158495 -0.291769 0.261803 0.674777 0.265043 2C 5s -0.820519 -0.668979 1.371097 -1.219150 -0.512984 -0.168930 2C 1pz -0.020302 -0.013897 0.027636 -0.026217 0.004611 0.002035 2C 1px -0.004583 -0.003049 0.006542 -0.006221 0.004458 0.001836 2C 1py -0.013038 -0.009662 0.017747 -0.016713 0.002906 0.001104 2C 2pz 0.031759 -0.002723 0.021184 -0.023110 0.377887 0.154479 2C 2px 0.018483 0.011327 -0.015917 0.012562 0.029338 0.013814 2C 2py 0.019013 -0.001799 0.018510 -0.018664 0.252720 0.095708 2C 3pz -0.048259 -0.057341 0.105870 -0.083196 -0.123206 -0.065628 2C 3px -0.002324 -0.005385 0.007791 -0.004368 -0.073736 -0.042031 2C 3py -0.040219 -0.024452 0.081090 -0.069264 -0.071644 0.005743 2C 1dz2 -0.000871 -0.000031 0.002951 -0.003053 0.000677 0.002511 2C 1dxz 0.002336 0.001621 -0.002310 0.001955 -0.001050 -0.000173 2C 1dyz -0.003881 -0.004392 0.007994 -0.007810 0.004459 0.000741 2C 1dx2y2 -0.001900 -0.000253 0.001445 -0.001885 0.003099 0.002391 2C 1dxy -0.001568 -0.000956 0.002690 -0.003015 0.003327 0.002740 2C 2dz2 0.022578 0.006385 -0.018391 0.017269 0.053937 0.014518 2C 2dxz -0.007969 -0.009689 0.018391 -0.016969 0.062852 0.022303 2C 2dyz 0.043586 0.027526 -0.042249 0.037880 0.045321 0.021653 2C 2dx2y2 0.006612 0.005342 -0.016306 0.016753 -0.064813 -0.030995 2C 2dxy 0.008867 0.005489 -0.010343 0.008792 -0.000852 -0.001405 2C 1f0 -0.012722 -0.010275 0.019943 -0.019113 -0.008829 -0.003558 2C 1f+1 -0.004507 -0.003946 0.008773 -0.008185 -0.015257 -0.005282 2C 1f-1 -0.012447 -0.010283 0.021299 -0.021873 -0.041430 -0.016462 2C 1f+2 0.032956 0.024953 -0.050815 0.049199 0.023572 0.009360 2C 1f-2 -0.038633 -0.028876 0.057991 -0.055933 -0.009957 -0.004159 2C 1f+3 0.035699 0.026115 -0.052232 0.049988 -0.009095 -0.004008 2C 1f-3 0.006145 0.004488 -0.007900 0.007697 -0.009605 -0.003397 3C 1s 0.823379 -0.930015 0.480405 0.404852 -0.030275 -0.041104 3C 2s -1.043770 1.179109 -0.609135 -0.513394 0.038459 0.052301 3C 3s 0.928772 -1.033456 0.533219 0.453357 -0.082989 -0.116946 3C 4s -0.344917 0.296623 -0.140351 -0.145134 0.683677 0.946205 3C 5s 1.189704 -1.364194 0.801361 0.633746 -0.524599 -0.797783 3C 1pz 0.015310 -0.016105 0.008161 0.007789 0.000649 0.001070 3C 1px 0.010656 -0.011448 0.005934 0.005169 0.003830 0.005823 3C 1py -0.028204 0.030023 -0.015142 -0.012979 -0.005655 -0.008214 3C 2pz 0.002748 -0.032527 0.025040 0.007615 0.249210 0.337840 3C 2px -0.015428 0.001785 0.003691 -0.000592 0.116397 0.150856 3C 2py 0.027097 0.021062 -0.023649 -0.000426 -0.367835 -0.490402 3C 3pz 0.063059 -0.078395 0.050629 0.022072 -0.034726 -0.077995 3C 3px 0.023268 -0.031317 0.024750 0.014691 -0.075610 -0.108610 3C 3py -0.070937 0.087533 -0.062579 -0.051560 0.139792 0.202098 3C 1dz2 -0.002223 0.003259 -0.001373 0.000172 -0.003500 -0.003670 3C 1dxz -0.001053 0.000532 0.000146 0.000214 -0.001150 -0.000715 3C 1dyz -0.007510 0.009897 -0.005428 -0.004518 -0.004977 -0.007124 3C 1dx2y2 0.001041 0.000200 -0.000572 0.000713 0.001820 0.001939 3C 1dxy -0.000873 0.002208 -0.001331 -0.000919 -0.001448 -0.002735 3C 2dz2 0.017633 -0.017139 0.007925 0.002800 0.005034 0.004745 3C 2dxz 0.004698 -0.012545 0.007876 0.001876 0.053193 0.070039 3C 2dyz 0.055778 -0.046951 0.021952 0.026702 -0.023189 -0.027465 3C 2dx2y2 0.010553 -0.001204 -0.001546 0.000738 -0.081920 -0.110212 3C 2dxy 0.012466 -0.005428 0.000088 0.003018 -0.053787 -0.069994 3C 1f0 0.022841 -0.024107 0.012772 0.010673 0.023777 0.031939 3C 1f+1 0.012333 -0.014173 0.007628 0.006008 -0.003864 -0.004944 3C 1f-1 0.031618 -0.035348 0.018411 0.016048 0.008170 0.011014 3C 1f+2 -0.065923 0.077141 -0.039465 -0.032882 0.024870 0.032867 3C 1f-2 -0.048874 0.057448 -0.029997 -0.024545 0.024716 0.032492 3C 1f+3 0.008776 -0.012263 0.006824 0.004828 -0.027096 -0.035864 3C 1f-3 0.006555 -0.006054 0.002831 0.002841 0.018162 0.024000 4C 1s -0.030190 -0.020142 0.035687 -0.031635 0.701322 0.277992 4C 2s 0.040654 0.027267 -0.048659 0.043380 -0.938234 -0.372060 4C 3s -0.049616 -0.030898 0.067453 -0.085309 0.925832 0.371599 4C 4s -0.106354 -0.104132 0.175487 -0.029090 0.137030 0.028346 4C 5s 0.419730 0.246662 -0.529209 0.543452 0.605574 0.270853 4C 1pz 0.020553 0.017352 -0.032682 0.031572 0.002184 0.004188 4C 1px 0.003053 0.002401 -0.004891 0.005776 0.000014 0.001978 4C 1py 0.012962 0.010341 -0.021800 0.021524 0.002308 -0.004682 4C 2pz -0.145320 -0.146953 0.278771 -0.238917 0.845725 0.316522 4C 2px 0.023592 0.026466 -0.019887 -0.017100 0.129948 0.046415 4C 2py -0.078349 -0.077207 0.165316 -0.154734 0.556006 0.240943 4C 3pz -0.008531 -0.068547 0.180489 -0.106798 -0.238845 -0.026820 4C 3px 0.079834 0.049163 -0.077396 0.084959 -0.046879 0.006910 4C 3py 0.023690 -0.068779 0.088564 -0.028181 -0.170303 -0.094610 4C 1dz2 0.001894 0.000122 0.000399 0.000286 -0.022618 -0.009241 4C 1dxz 0.007300 0.004549 -0.006538 0.005132 -0.077324 -0.029932 4C 1dyz 0.000182 -0.000658 0.001538 -0.001041 0.062872 0.024724 4C 1dx2y2 -0.007311 -0.004481 0.005990 -0.004802 0.128443 0.048966 4C 1dxy -0.001682 -0.000902 0.000600 -0.000952 0.074070 0.028628 4C 2dz2 0.084045 0.070897 -0.161017 0.151418 -0.247237 -0.103377 4C 2dxz 0.072170 0.072856 -0.139028 0.105563 -0.276026 -0.111338 4C 2dyz 0.081904 0.070969 -0.154945 0.152446 -0.176262 -0.067904 4C 2dx2y2 -0.094956 -0.087042 0.178113 -0.148531 0.369883 0.147497 4C 2dxy -0.010016 -0.005353 0.019867 -0.016788 0.086026 0.036321 4C 1f0 -0.003741 -0.001363 0.005280 -0.007668 -0.046392 -0.017402 4C 1f+1 -0.006426 -0.003454 0.009806 -0.013122 -0.107265 -0.040846 4C 1f-1 -0.040682 -0.031732 0.064497 -0.061481 0.003711 0.001746 4C 1f+2 0.014473 0.010184 -0.022855 0.026579 0.082336 0.031999 4C 1f-2 -0.013618 -0.010285 0.021337 -0.021526 0.001845 0.000328 4C 1f+3 -0.009495 -0.008316 0.015470 -0.012605 0.013991 0.005881 4C 1f-3 -0.000749 0.000103 -0.000433 -0.001552 -0.093957 -0.037806 5C 1s 0.041573 -0.038077 0.018875 0.018684 0.709853 0.953186 5C 2s -0.056064 0.052002 -0.025829 -0.025321 -0.949647 -1.275716 5C 3s 0.068885 -0.095281 0.034790 0.033340 0.937749 1.287617 5C 4s 0.164342 -0.052215 0.118833 0.078655 0.136188 0.022027 5C 5s -0.549374 0.590892 -0.263175 -0.239315 0.624831 1.015734 5C 1pz -0.017539 0.021834 -0.011476 -0.008294 0.002850 0.005317 5C 1px -0.009927 0.012392 -0.006350 -0.006536 0.001538 0.002708 5C 1py 0.029502 -0.035540 0.018582 0.015822 -0.001807 -0.001244 5C 2pz 0.143141 -0.181122 0.109916 0.064373 0.504172 0.656505 5C 2px 0.033393 -0.051850 0.031113 0.066710 0.312751 0.398499 5C 2py -0.216275 0.272976 -0.165726 -0.115912 -0.841454 -1.108424 5C 3pz 0.049365 -0.082661 0.098619 0.087158 -0.151408 -0.157160 5C 3px -0.063633 0.050546 0.000505 -0.017855 -0.094337 -0.105855 5C 3py -0.034948 0.099852 -0.133551 -0.051548 0.232989 0.281906 5C 1dz2 -0.004836 0.003292 -0.001677 -0.002572 -0.092276 -0.120294 5C 1dxz -0.007490 0.004968 -0.002013 -0.002424 -0.075448 -0.098388 5C 1dyz -0.003622 0.003525 -0.002246 -0.001535 -0.091151 -0.118501 5C 1dx2y2 0.007331 -0.004063 0.000768 0.003088 0.102464 0.133059 5C 1dxy 0.004872 -0.003657 0.001628 0.000975 0.011945 0.015673 5C 2dz2 -0.029295 0.024934 -0.022295 -0.021725 -0.132146 -0.175102 5C 2dxz -0.113866 0.136485 -0.085919 -0.054229 -0.269912 -0.360763 5C 2dyz 0.085288 -0.120731 0.061553 0.053456 0.077405 0.099576 5C 2dx2y2 0.188972 -0.226056 0.142171 0.108961 0.421239 0.555408 5C 2dxy 0.108995 -0.138838 0.082385 0.044167 0.208926 0.281047 5C 1f0 -0.040079 0.046070 -0.025827 -0.018973 -0.054468 -0.071807 5C 1f+1 -0.004670 0.003514 -0.003532 -0.003607 -0.076202 -0.098974 5C 1f-1 -0.006655 0.007838 -0.004292 -0.003518 0.004264 0.005177 5C 1f+2 -0.035984 0.043170 -0.022502 -0.019436 -0.001909 -0.003446 5C 1f-2 -0.026136 0.033833 -0.016077 -0.015211 0.069727 0.090725 5C 1f+3 0.029370 -0.037279 0.017742 0.012962 -0.078927 -0.102546 5C 1f-3 -0.008913 0.014135 -0.005208 -0.004188 0.101349 0.132058 6C 1s 0.039908 0.036215 0.026092 -0.016788 0.710501 -0.955465 6C 2s -0.053814 -0.049449 -0.035642 0.022697 -0.950513 1.278765 6C 3s 0.065976 0.091670 0.049805 -0.029343 0.938614 -1.290680 6C 4s 0.157985 0.040451 0.140197 -0.064467 0.136169 -0.022115 6C 5s -0.530083 -0.566222 -0.365110 0.212835 0.625151 -1.017057 6C 1pz 0.016797 0.020656 0.015149 -0.006863 -0.002746 0.005291 6C 1px 0.009419 0.011691 0.008707 -0.005712 -0.001541 0.002747 6C 1py -0.028201 -0.033634 -0.024960 0.013511 0.001834 -0.001219 6C 2pz -0.137133 -0.169832 -0.139759 0.049962 -0.504916 0.658224 6C 2px -0.029042 -0.046690 -0.046330 0.061110 -0.313256 0.399223 6C 2py 0.206472 0.255677 0.213674 -0.093768 0.842291 -1.111537 6C 3pz -0.044438 -0.071553 -0.122152 0.071343 0.151807 -0.156812 6C 3px 0.064184 0.053284 0.009122 -0.021200 0.094287 -0.106075 6C 3py 0.031647 0.085113 0.152809 -0.029255 -0.232669 0.282096 6C 1dz2 -0.004600 -0.003096 -0.002473 0.002423 -0.092322 0.120530 6C 1dxz -0.007260 -0.004822 -0.003029 0.002367 -0.075575 0.098709 6C 1dyz -0.003504 -0.003329 -0.002900 0.001276 -0.091221 0.118780 6C 1dx2y2 0.007038 0.003998 0.001776 -0.003202 0.102572 -0.133394 6C 1dxy 0.004774 0.003575 0.002252 -0.000895 0.011861 -0.015600 6C 2dz2 -0.027823 -0.022611 -0.028680 0.018791 -0.132108 0.175388 6C 2dxz -0.109139 -0.127708 -0.109357 0.043013 -0.270477 0.362197 6C 2dyz 0.081263 0.114141 0.082458 -0.045206 0.077500 -0.099877 6C 2dx2y2 0.180348 0.211006 0.183674 -0.090140 0.421757 -0.556822 6C 2dxy 0.104554 0.130340 0.104159 -0.033381 0.209201 -0.281972 6C 1f0 0.038426 0.043452 0.033849 -0.015795 0.054469 -0.071922 6C 1f+1 0.004360 0.003052 0.004498 -0.003115 0.076325 -0.099245 6C 1f-1 0.006334 0.007359 0.005675 -0.002988 -0.004252 0.005160 6C 1f+2 0.034389 0.040813 0.030195 -0.016634 0.001960 -0.003537 6C 1f-2 0.024914 0.032095 0.022019 -0.013185 -0.069827 0.091016 6C 1f+3 -0.028267 -0.035554 -0.023780 0.010850 0.078952 -0.102739 6C 1f-3 0.008516 0.013540 0.007250 -0.003533 -0.101423 0.132380 7C 1s -0.028683 0.015854 0.031388 0.038808 0.689186 -0.279646 7C 2s 0.038587 -0.021439 -0.042751 -0.053142 -0.921999 0.374272 7C 3s -0.045172 0.023232 0.054339 0.098156 0.909446 -0.373929 7C 4s -0.106630 0.083105 0.177762 0.064976 0.136957 -0.027813 7C 5s 0.393866 -0.186737 -0.450666 -0.650769 0.593035 -0.274712 7C 1pz -0.019029 0.013661 0.028352 0.037834 -0.002166 0.004210 7C 1px -0.002767 0.001844 0.003992 0.006619 -0.000051 0.001987 7C 1py -0.011978 0.007928 0.018800 0.025778 -0.002164 -0.004712 7C 2pz 0.133871 -0.115892 -0.247367 -0.291698 -0.830725 0.317842 7C 2px -0.024639 0.024090 0.026550 -0.009770 -0.125818 0.046076 7C 2py 0.071061 -0.059112 -0.143565 -0.185345 -0.548843 0.242930 7C 3pz 0.004821 -0.050690 -0.167024 -0.139278 0.235249 -0.029840 7C 3px -0.077145 0.040661 0.068057 0.104215 0.046173 0.006479 7C 3py -0.024449 -0.059846 -0.089260 -0.042205 0.168329 -0.096661 7C 1dz2 0.001881 -0.000134 0.000453 -0.000258 -0.022631 0.009469 7C 1dxz 0.007098 -0.003750 -0.006011 -0.006645 -0.076178 0.030167 7C 1dyz 0.000213 0.000504 0.001418 0.001310 0.062058 -0.024953 7C 1dx2y2 -0.007110 0.003704 0.005439 0.006104 0.126108 -0.049212 7C 1dxy -0.001623 0.000771 0.000440 0.001030 0.072721 -0.028759 7C 2dz2 0.076493 -0.052857 -0.138390 -0.180645 -0.242321 0.103445 7C 2dxz 0.066707 -0.057052 -0.125312 -0.131649 -0.271203 0.111702 7C 2dyz 0.074618 -0.054047 -0.133365 -0.182006 -0.173757 0.068399 7C 2dx2y2 -0.088315 0.067430 0.158583 0.183090 0.364414 -0.148327 7C 2dxy -0.009531 0.003243 0.017134 0.020569 0.084306 -0.036361 7C 1f0 0.003064 -0.000615 -0.003580 -0.008115 0.045834 -0.017591 7C 1f+1 0.005599 -0.002298 -0.007519 -0.014697 0.105349 -0.041024 7C 1f-1 0.037677 -0.024452 -0.055855 -0.073900 -0.003645 0.001744 7C 1f+2 -0.013317 0.007744 0.019094 0.031188 -0.080788 0.032106 7C 1f-2 0.012555 -0.007864 -0.018205 -0.025561 -0.001504 0.000216 7C 1f+3 0.008881 -0.006550 -0.013865 -0.015657 -0.013964 0.005993 7C 1f-3 0.000781 -0.000061 0.000433 -0.001865 0.092529 -0.038069 8C 1s 0.789287 0.881294 0.645593 -0.348072 -0.030182 0.041085 8C 2s -1.000553 -1.117338 -0.818585 0.441396 0.038335 -0.052271 8C 3s 0.890624 0.979610 0.717632 -0.391027 -0.082951 0.117152 8C 4s -0.332583 -0.283801 -0.197331 0.133107 0.684488 -0.948844 8C 5s 1.139255 1.282317 1.050772 -0.534029 -0.524072 0.797803 8C 1pz -0.014686 -0.015309 -0.011189 0.006879 -0.000655 0.001083 8C 1px -0.010243 -0.010877 -0.008025 0.004493 -0.003896 0.005925 8C 1py 0.027078 0.028504 0.020478 -0.011278 0.005629 -0.008178 8C 2pz -0.002029 -0.029409 -0.029085 0.003009 -0.249282 0.338549 8C 2px 0.015544 0.002822 -0.002755 -0.002070 -0.115779 0.150201 8C 2py -0.026903 0.017991 0.025062 0.005093 0.368808 -0.492483 8C 3pz -0.060667 -0.073065 -0.062412 0.015399 0.034556 -0.078308 8C 3px -0.022123 -0.028612 -0.030120 0.011180 0.076547 -0.109903 8C 3py 0.067553 0.081080 0.080585 -0.043106 -0.139473 0.201579 8C 1dz2 -0.002199 -0.003147 -0.001690 -0.000324 -0.003544 0.003687 8C 1dxz -0.001059 -0.000575 0.000100 -0.000129 -0.001152 0.000717 8C 1dyz -0.007128 -0.009299 -0.007178 0.003789 -0.004971 0.007142 8C 1dx2y2 0.000972 -0.000156 -0.000460 -0.000844 0.001814 -0.001949 8C 1dxy -0.000780 -0.002021 -0.001679 0.000686 -0.001461 0.002769 8C 2dz2 0.017242 0.016516 0.010331 -0.002099 0.005272 -0.004952 8C 2dxz 0.004698 0.011895 0.009563 -0.000709 0.053603 -0.070665 8C 2dyz 0.053805 0.045145 0.031808 -0.024933 -0.023237 0.027459 8C 2dx2y2 0.010555 0.001672 -0.001044 -0.001548 -0.081770 0.110292 8C 2dxy 0.012001 0.005400 0.001269 -0.003424 -0.054081 0.070521 8C 1f0 -0.022214 -0.023145 -0.017341 0.009343 -0.023830 0.032045 8C 1f+1 -0.010660 -0.012088 -0.009158 0.004563 0.003940 -0.005063 8C 1f-1 -0.030052 -0.033212 -0.024606 0.013773 -0.008140 0.011001 8C 1f+2 0.062822 0.072737 0.052735 -0.027982 -0.024904 0.032971 8C 1f-2 0.047712 0.055379 0.040819 -0.021298 -0.024636 0.032427 8C 1f+3 -0.007942 -0.011050 -0.008514 0.003713 0.027141 -0.035986 8C 1f-3 -0.005932 -0.005360 -0.003651 0.002403 -0.018171 0.024051 9C 1s -0.543514 0.333033 0.743845 0.989145 -0.027851 0.009233 9C 2s 0.689023 -0.422255 -0.943201 -1.254294 0.035303 -0.011597 9C 3s -0.617620 0.373534 0.831495 1.100794 -0.078595 0.028367 9C 4s 0.257812 -0.123379 -0.256032 -0.322427 0.663130 -0.267150 9C 5s -0.764448 0.515484 1.203206 1.485570 -0.503378 0.175638 9C 1pz 0.018980 -0.010673 -0.023886 -0.031576 -0.004456 0.002037 9C 1px 0.004264 -0.002295 -0.005646 -0.007491 -0.004404 0.001870 9C 1py 0.012339 -0.007652 -0.015608 -0.020387 -0.002962 0.001167 9C 2pz -0.032954 -0.001437 -0.017530 -0.025024 -0.371632 0.155187 9C 2px -0.017854 0.009333 0.014772 0.016277 -0.027858 0.013344 9C 2py -0.020588 -0.000244 -0.014735 -0.019932 -0.248462 0.096121 9C 3pz 0.044975 -0.046044 -0.095886 -0.103747 0.119718 -0.066497 9C 3px 0.002081 -0.004553 -0.007395 -0.005934 0.072742 -0.042346 9C 3py 0.036481 -0.015463 -0.069718 -0.084175 0.072053 0.004081 9C 1dz2 -0.000718 -0.000262 0.002397 0.003595 0.000642 -0.002517 9C 1dxz 0.002257 -0.001347 -0.002094 -0.002474 -0.001024 0.000157 9C 1dyz -0.003494 0.003508 0.006932 0.009269 0.004387 -0.000726 9C 1dx2y2 -0.001842 0.000117 0.001159 0.002251 0.003037 -0.002334 9C 1dxy -0.001382 0.000638 0.002170 0.003456 0.003279 -0.002745 9C 2dz2 0.021731 -0.004099 -0.015701 -0.021508 0.052331 -0.014276 9C 2dxz -0.007442 0.007908 0.016458 0.020812 0.061851 -0.022401 9C 2dyz 0.042081 -0.022388 -0.037779 -0.047183 0.044923 -0.021812 9C 2dx2y2 0.005668 -0.003614 -0.013677 -0.019643 -0.064274 0.031298 9C 2dxy 0.008461 -0.004309 -0.009186 -0.010948 -0.000839 0.001415 9C 1f0 0.011742 -0.007979 -0.017193 -0.022806 0.008472 -0.003509 9C 1f+1 0.004370 -0.003141 -0.007949 -0.010291 0.014813 -0.005265 9C 1f-1 0.010956 -0.007667 -0.017616 -0.025152 0.040739 -0.016540 9C 1f+2 -0.031755 0.019950 0.045519 0.061216 -0.023214 0.009439 9C 1f-2 0.035404 -0.021974 -0.049428 -0.066244 0.009748 -0.004155 9C 1f+3 -0.032644 0.019756 0.044351 0.059015 0.008854 -0.004016 9C 1f-3 -0.007220 0.004442 0.008831 0.011900 0.009731 -0.003562 10H 1s 0.017343 0.013281 -0.026399 0.025315 0.015343 0.005752 10H 2s 0.107197 0.074596 -0.153202 0.148700 0.053552 0.022225 10H 3s 0.119780 0.093726 -0.188132 0.173154 0.044984 0.015997 10H 1pz 0.045870 0.033506 -0.067213 0.065099 -0.007885 -0.003236 10H 1px -0.077563 -0.056992 0.114095 -0.109575 -0.026015 -0.009990 10H 1py 0.013413 0.009772 -0.019408 0.019118 -0.005897 -0.002085 11H 1s 0.021134 0.015577 -0.030757 0.029505 -0.005323 -0.001968 11H 2s 0.140978 0.106450 -0.209092 0.198677 -0.041795 -0.010897 11H 3s 0.139585 0.101953 -0.217483 0.198471 -0.008243 -0.026719 11H 1pz 0.056130 0.041937 -0.083935 0.080381 -0.012437 -0.004276 11H 1px 0.062742 0.046820 -0.092468 0.088639 -0.004728 -0.000643 11H 1py -0.043648 -0.032358 0.063444 -0.060919 -0.018224 -0.008466 12H 1s 0.020318 0.014696 -0.029691 0.028474 0.001643 0.000437 12H 2s 0.137154 0.101131 -0.199510 0.193142 -0.022373 -0.012468 12H 3s 0.132610 0.106208 -0.207028 0.186948 0.011982 0.013759 12H 1pz -0.022357 -0.015767 0.032345 -0.030975 -0.023752 -0.008749 12H 1px 0.042795 0.031488 -0.062768 0.060452 -0.008808 -0.004218 12H 1py 0.082333 0.061032 -0.121294 0.116925 -0.000856 -0.001776 13H 1s -0.025649 0.029619 -0.015282 -0.012478 0.014181 0.017455 13H 2s -0.153330 0.169307 -0.086059 -0.076746 0.045572 0.068242 13H 3s -0.171122 0.195068 -0.108834 -0.090200 0.045256 0.059267 13H 1pz -0.081525 0.092254 -0.047305 -0.040636 0.007944 0.010752 13H 1px 0.090938 -0.102609 0.052869 0.044685 -0.021975 -0.029870 13H 1py 0.042127 -0.047663 0.024214 0.021058 0.014886 0.019773 14H 1s -0.027931 0.031634 -0.016454 -0.013393 0.004506 0.004781 14H 2s -0.182259 0.209118 -0.107063 -0.090421 -0.009017 -0.010000 14H 3s -0.187701 0.205823 -0.114388 -0.099859 0.018317 0.028737 14H 1pz -0.060408 0.069198 -0.035595 -0.030229 0.002370 0.002287 14H 1px -0.116375 0.132581 -0.068240 -0.057381 -0.001746 -0.002882 14H 1py -0.021662 0.024134 -0.012509 -0.010066 0.025987 0.035146 15H 1s -0.030548 0.034345 -0.017432 -0.014716 -0.006952 -0.009946 15H 2s -0.198240 0.222991 -0.116161 -0.100362 -0.044659 -0.061400 15H 3s -0.201405 0.224256 -0.125945 -0.097150 -0.010829 0.006687 15H 1pz 0.087550 -0.098593 0.050464 0.043611 -0.014102 -0.017884 15H 1px -0.026091 0.029774 -0.015498 -0.012947 -0.010152 -0.013847 15H 1py 0.097207 -0.110549 0.057295 0.048416 0.012917 0.019005 16H 1s -0.000967 -0.000283 0.000127 0.000361 -0.001401 -0.000165 16H 2s -0.006413 0.007519 -0.005468 -0.008783 -0.009403 -0.003076 16H 3s -0.007035 0.002275 0.008374 -0.003841 0.026400 -0.001226 16H 1pz -0.001706 0.002371 -0.001213 -0.000916 -0.002407 -0.001868 16H 1px 0.000127 -0.000199 0.000490 -0.000662 -0.000239 0.000670 16H 1py -0.000230 -0.000401 -0.000003 -0.000267 -0.001228 0.000217 17H 1s 0.001269 -0.000384 0.000030 0.000104 -0.001382 0.000249 17H 2s -0.008402 0.004524 -0.007867 -0.000958 -0.010911 0.012239 17H 3s 0.006962 0.010013 0.003578 0.003999 0.026690 -0.003922 17H 1pz 0.001261 -0.000845 0.000805 0.001262 0.002404 -0.002298 17H 1px 0.000753 0.001070 0.000811 -0.000367 0.001613 -0.005055 17H 1py -0.000583 -0.000661 -0.000246 0.000571 -0.001852 0.001894 18H 1s 0.001224 0.000402 0.000094 -0.000150 -0.001401 -0.000262 18H 2s -0.008435 -0.003498 -0.008016 0.000177 -0.010549 -0.011731 18H 3s 0.006787 -0.010326 0.003049 -0.003869 0.026630 0.003734 18H 1pz -0.001225 -0.000710 -0.001076 0.001172 -0.002465 -0.002328 18H 1px -0.000824 0.001221 -0.000537 -0.000358 -0.001552 -0.004947 18H 1py 0.000616 -0.000732 0.000009 0.000545 0.001770 0.001759 19H 1s -0.000977 0.000249 0.000205 -0.000298 -0.001411 0.000164 19H 2s -0.005810 -0.006819 -0.007535 0.007997 -0.009043 0.003354 19H 3s -0.006845 -0.003397 0.007147 0.005596 0.026408 0.001061 19H 1pz 0.001572 0.002199 0.001550 -0.000716 0.002228 -0.001889 19H 1px -0.000163 -0.000138 -0.000391 -0.000730 0.000246 0.000687 19H 1py 0.000281 -0.000353 0.000044 -0.000319 0.001305 0.000195 20H 1s -0.029263 -0.032556 -0.023485 0.012661 -0.006870 0.009866 20H 2s -0.190127 -0.211389 -0.156482 0.086726 -0.044526 0.061432 20H 3s -0.193205 -0.211467 -0.165738 0.081995 -0.010988 -0.006721 20H 1pz -0.084019 -0.093606 -0.068198 0.037729 0.014190 -0.017997 20H 1px 0.025937 0.029239 0.021544 -0.011518 0.010250 -0.014011 20H 1py -0.092887 -0.104423 -0.076750 0.041492 -0.012904 0.019033 21H 1s -0.026811 -0.030000 -0.022019 0.011439 0.004331 -0.004562 21H 2s -0.175265 -0.198822 -0.144567 0.077980 -0.010000 0.011298 21H 3s -0.179974 -0.194431 -0.152998 0.086313 0.017885 -0.028045 21H 1pz 0.058643 0.066431 0.048522 -0.026330 -0.002318 0.002226 21H 1px 0.111189 0.125244 0.091429 -0.049128 0.002043 -0.003261 21H 1py 0.021061 0.023176 0.016935 -0.008722 -0.025956 0.035172 22H 1s -0.024527 -0.028004 -0.020432 0.010617 0.014286 -0.017627 22H 2s -0.146698 -0.160297 -0.116379 0.066712 0.046161 -0.069214 22H 3s -0.163861 -0.183968 -0.144242 0.076862 0.045518 -0.059614 22H 1pz 0.077531 0.086786 0.063273 -0.034789 -0.007831 0.010634 22H 1px -0.087437 -0.097541 -0.071320 0.038573 0.022203 -0.030237 22H 1py -0.040793 -0.045686 -0.033068 0.018404 -0.014675 0.019505 23H 1s 0.018955 -0.011342 -0.025706 -0.034291 0.001289 -0.000297 23H 2s 0.128356 -0.078576 -0.173368 -0.233142 -0.023279 0.013158 23H 3s 0.124412 -0.083081 -0.181990 -0.227898 0.010921 -0.014281 23H 1pz 0.021203 -0.012292 -0.028425 -0.037935 0.023170 -0.008719 23H 1px -0.038797 0.023679 0.052843 0.070729 0.008849 -0.004299 23H 1py -0.077210 0.047516 0.105662 0.141528 0.001206 -0.001985 24H 1s 0.019664 -0.012067 -0.026615 -0.035449 -0.004987 0.001890 24H 2s 0.131654 -0.082760 -0.181777 -0.239856 -0.040742 0.010879 24H 3s 0.130100 -0.077172 -0.188998 -0.240544 -0.007685 0.025721 24H 1pz -0.051946 0.032200 0.072246 0.096148 0.012119 -0.004292 24H 1px -0.059457 0.036908 0.081467 0.108464 0.004626 -0.000637 24H 1py 0.039908 -0.024629 -0.053880 -0.071857 0.018175 -0.008581 25H 1s 0.016116 -0.010294 -0.022879 -0.030428 0.015200 -0.005807 25H 2s 0.100023 -0.057048 -0.131890 -0.178630 0.053242 -0.022685 25H 3s 0.111590 -0.072311 -0.164128 -0.209817 0.044477 -0.016344 25H 1pz -0.043153 0.026101 0.058612 0.078971 0.007371 -0.003106 25H 1px 0.072212 -0.043963 -0.098618 -0.131681 0.025598 -0.010091 25H 1py -0.011769 0.007108 0.015714 0.021574 0.006273 -0.002298 26O 1s 0.003789 0.002467 -0.004775 0.004195 -0.011908 -0.004534 26O 2s 0.000041 0.000026 -0.000034 0.000077 -0.001692 -0.000675 26O 3s -0.043357 -0.028539 0.054659 -0.048561 0.235292 0.090676 26O 4s 0.145509 0.098738 -0.191686 0.169326 -0.734102 -0.278622 26O 5s -0.129014 -0.036849 0.032061 -0.049256 -0.159165 -0.110276 26O 1pz 0.005528 0.004449 -0.009089 0.008527 -0.010167 -0.002337 26O 1px 0.005628 0.004731 -0.008392 0.008631 -0.058577 -0.023143 26O 1py 0.005950 0.004646 -0.010067 0.009994 -0.028577 -0.012188 26O 2pz -0.030011 -0.024700 0.053949 -0.048851 0.076509 0.026042 26O 2px -0.035706 -0.028970 0.057662 -0.053674 0.463409 0.184219 26O 2py -0.033262 -0.028376 0.058909 -0.054477 0.221772 0.089446 26O 3pz 0.001651 -0.013609 0.005519 0.022885 0.105646 0.031368 26O 3px 0.033739 -0.009048 0.036769 0.009645 0.123377 0.038885 26O 3py 0.016912 0.014537 -0.001247 0.028547 0.106979 0.035530 26O 1dz2 0.001366 0.001732 -0.001783 0.001248 -0.010996 -0.004152 26O 1dxz -0.004467 -0.002303 0.005769 -0.005371 0.006136 0.003383 26O 1dyz -0.000810 -0.000728 0.000650 -0.000813 -0.003198 -0.000788 26O 1dx2y2 0.000212 0.000689 -0.000178 -0.000185 0.007470 0.002996 26O 1dxy -0.002608 -0.000725 0.002902 -0.003105 0.009919 0.003232 26O 2dz2 -0.003426 -0.004875 0.005462 -0.002323 0.132991 0.051112 26O 2dxz 0.017911 0.011217 -0.026554 0.024508 -0.054929 -0.025079 26O 2dyz 0.008346 0.006009 -0.010280 0.011042 -0.004859 -0.004101 26O 2dx2y2 -0.000638 -0.001354 0.000270 -0.001143 -0.138796 -0.055126 26O 2dxy 0.012716 0.006737 -0.016809 0.015532 -0.161221 -0.061380 26O 1f0 -0.000079 -0.000139 -0.000853 0.000710 -0.014585 -0.006478 26O 1f+1 -0.001030 -0.000958 0.002539 -0.002797 -0.052996 -0.020711 26O 1f-1 0.001620 0.001073 -0.001799 0.001478 -0.026070 -0.009762 26O 1f+2 0.000876 0.000476 -0.000788 0.001229 0.017283 0.007244 26O 1f-2 -0.001435 -0.001681 0.002871 -0.002598 0.008826 0.003857 26O 1f+3 0.001219 0.000564 -0.001053 0.000976 -0.022534 -0.009627 26O 1f-3 0.001193 0.000617 -0.000710 0.000338 -0.068336 -0.026551 27O 1s -0.005034 0.004828 -0.002530 -0.001976 -0.011901 -0.015424 27O 2s -0.000089 0.000075 -0.000022 -0.000115 -0.001766 -0.002330 27O 3s 0.059184 -0.055354 0.029498 0.026562 0.238496 0.309488 27O 4s -0.200380 0.191861 -0.105200 -0.093656 -0.746079 -0.950011 27O 5s 0.095233 -0.058359 -0.037948 -0.035994 -0.203569 -0.355940 27O 1pz -0.004692 0.006453 -0.003914 -0.002730 0.000737 0.003529 27O 1px -0.011199 0.012854 -0.006759 -0.007397 -0.065161 -0.086682 27O 1py 0.008530 -0.009574 0.005341 0.005286 0.017584 0.020131 27O 2pz 0.023698 -0.031898 0.020144 0.015162 -0.009029 -0.019964 27O 2px 0.071638 -0.073520 0.046572 0.052127 0.517532 0.680270 27O 2py -0.050332 0.056748 -0.034960 -0.031529 -0.136188 -0.167834 27O 3pz -0.007005 0.014773 -0.012438 -0.036028 0.046394 0.053824 27O 3px -0.009485 0.017369 0.046001 0.022744 0.160262 0.150091 27O 3py -0.016237 0.007328 -0.017603 0.000816 -0.112378 -0.123923 27O 1dz2 -0.001844 0.001763 -0.000478 0.000012 -0.006290 -0.007798 27O 1dxz 0.002926 -0.002525 0.000903 0.000900 0.000553 0.002580 27O 1dyz 0.001656 -0.002374 0.001202 -0.000153 0.006039 0.008002 27O 1dx2y2 0.001574 -0.000997 0.000672 0.001444 0.014210 0.016932 27O 1dxy -0.006362 0.006245 -0.003546 -0.003021 -0.007032 -0.010489 27O 2dz2 0.011334 -0.009333 0.005429 0.005536 0.123362 0.161042 27O 2dxz -0.012836 0.013514 -0.005774 -0.004928 0.012687 0.010383 27O 2dyz 0.000154 0.001605 -0.001668 0.002551 -0.023479 -0.028321 27O 2dx2y2 -0.007207 0.001752 -0.003904 -0.008178 -0.207809 -0.266272 27O 2dxy 0.030573 -0.031060 0.018362 0.016537 0.099807 0.135972 27O 1f0 0.002475 -0.002311 0.001011 0.000906 0.007975 0.009714 27O 1f+1 -0.001586 0.000719 -0.000461 -0.000828 -0.055112 -0.073315 27O 1f-1 0.002141 -0.001910 0.001104 0.001498 0.011647 0.015486 27O 1f+2 0.000438 -0.000650 0.000607 0.000399 -0.004304 -0.005582 27O 1f-2 -0.002594 0.003639 -0.001641 -0.001226 0.010583 0.013681 27O 1f+3 0.000196 -0.002186 0.001164 -0.000158 -0.063742 -0.084201 27O 1f-3 0.001282 -0.001211 0.001082 0.000960 0.046064 0.061592 28O 1s 0.003585 0.001932 -0.004478 0.003518 -0.011901 -0.004546 28O 2s 0.000157 0.000173 -0.000200 0.000174 -0.001770 -0.000700 28O 3s -0.045877 -0.028487 0.058293 -0.044234 0.239290 0.092126 28O 4s 0.150031 0.099648 -0.199426 0.152186 -0.755851 -0.286825 28O 5s 0.002134 0.101940 -0.159200 0.077952 -0.223841 -0.122989 28O 1pz 0.008728 0.008326 -0.013450 0.012714 -0.044030 -0.016020 28O 1px -0.006613 -0.005964 0.010069 -0.008916 0.050583 0.020962 28O 1py 0.002592 0.003036 -0.005744 0.005510 -0.007786 -0.003519 28O 2pz -0.057090 -0.055949 0.094822 -0.075728 0.353466 0.135185 28O 2px 0.044222 0.042773 -0.068581 0.048598 -0.403708 -0.160879 28O 2py -0.016878 -0.020274 0.035948 -0.030622 0.062006 0.024253 28O 3pz -0.062484 -0.067999 0.137405 -0.078353 0.194881 0.066269 28O 3px -0.017923 0.018867 -0.037758 -0.027861 -0.093280 -0.031338 28O 3py -0.038635 -0.006042 0.053301 -0.047858 0.085060 0.032408 28O 1dz2 -0.004501 -0.002048 0.006340 -0.005260 0.001798 0.001437 28O 1dxz 0.004370 0.003515 -0.005948 0.004576 -0.016189 -0.006430 28O 1dyz -0.001756 -0.000763 0.001357 0.000193 -0.002879 -0.001311 28O 1dx2y2 0.001098 0.001481 -0.002098 0.001997 0.006580 0.001630 28O 1dxy 0.003759 0.001880 -0.004370 0.004830 -0.006118 -0.002057 28O 2dz2 0.021261 0.012999 -0.031964 0.026582 -0.028527 -0.014533 28O 2dxz -0.023223 -0.020903 0.034174 -0.022057 0.227277 0.088958 28O 2dyz 0.013462 0.008282 -0.015575 0.009692 -0.012634 -0.004830 28O 2dx2y2 -0.001459 -0.000878 0.003647 -0.007690 -0.124054 -0.045535 28O 2dxy -0.013865 -0.008704 0.018782 -0.018159 0.047108 0.016721 28O 1f0 -0.001260 -0.001129 0.002670 -0.003062 -0.031674 -0.012063 28O 1f+1 0.001921 0.001625 -0.003422 0.002296 -0.045905 -0.019054 28O 1f-1 -0.001986 -0.001857 0.003340 -0.003819 -0.001605 -0.000597 28O 1f+2 -0.001636 -0.001283 0.000656 0.000688 0.069259 0.026930 28O 1f-2 0.002755 0.002187 -0.004204 0.003704 -0.015774 -0.005483 28O 1f+3 -0.000723 -0.000084 0.000056 0.000016 0.030279 0.011805 28O 1f-3 -0.001560 -0.000962 0.002171 -0.002715 -0.015953 -0.005672 29O 1s -0.000172 0.000126 -0.000278 -0.000242 -0.001186 0.000008 29O 2s 0.000025 -0.000011 0.000013 0.000024 0.000288 -0.000016 29O 3s 0.000974 -0.001008 0.002996 0.002047 0.006652 0.000788 29O 4s -0.005169 0.004485 -0.016687 -0.007728 -0.021973 -0.001640 29O 5s 0.024701 -0.016094 0.057011 0.022212 0.075933 -0.009202 29O 1pz -0.000288 -0.001000 0.000565 -0.000705 0.001709 0.000797 29O 1px -0.000191 -0.000375 0.000108 -0.000160 -0.004594 0.000521 29O 1py -0.000041 0.000804 0.000716 -0.000372 0.001659 -0.000704 29O 2pz 0.000793 0.005177 -0.002823 0.002247 -0.005718 -0.006579 29O 2px 0.001897 0.001274 0.001290 0.001066 0.015338 -0.004616 29O 2py -0.000884 -0.002955 -0.003236 0.001170 -0.008414 0.004697 29O 3pz -0.004872 -0.006037 0.017116 -0.013672 0.017438 -0.002388 29O 3px -0.005534 -0.005223 -0.022461 -0.006232 -0.043500 0.003313 29O 3py -0.009827 0.016564 -0.003518 -0.008983 0.003651 -0.001463 29O 1dz2 -0.000367 -0.000054 0.000061 0.000222 -0.001045 0.000112 29O 1dxz -0.000084 0.000160 0.000575 -0.000441 -0.001150 0.000094 29O 1dyz -0.000650 -0.000310 0.000312 -0.000446 -0.000255 -0.000436 29O 1dx2y2 -0.000123 -0.000131 -0.000634 -0.000078 0.001739 0.000040 29O 1dxy -0.000409 0.000486 0.000182 -0.000239 0.000832 -0.000409 29O 2dz2 0.001367 -0.000269 0.000054 -0.000213 0.003449 0.000006 29O 2dxz 0.000476 -0.000146 -0.001368 0.000719 0.003407 -0.001557 29O 2dyz 0.001635 -0.000335 -0.000705 0.001511 0.000552 0.003529 29O 2dx2y2 0.000207 0.000435 0.001844 0.000140 -0.003792 0.000026 29O 2dxy 0.000454 -0.000987 -0.000699 0.000266 -0.003180 0.002311 29O 1f0 -0.000127 -0.000054 -0.000066 -0.000269 -0.000081 0.000198 29O 1f+1 -0.000055 -0.000034 -0.000053 -0.000026 -0.000260 -0.000208 29O 1f-1 -0.000282 0.000150 -0.000390 -0.000109 -0.000850 0.000133 29O 1f+2 0.000315 -0.000199 0.000019 0.000070 -0.000621 0.000253 29O 1f-2 -0.000257 0.000056 -0.000366 0.000062 -0.000926 0.000441 29O 1f+3 0.000186 -0.000197 -0.000005 0.000261 -0.000858 -0.000200 29O 1f-3 0.000131 -0.000169 0.000040 -0.000123 -0.000258 -0.000233 30O 1s -0.004901 0.004120 -0.002421 -0.001913 -0.012043 -0.015413 30O 2s -0.000197 0.000225 -0.000096 -0.000060 -0.001749 -0.002353 30O 3s 0.062276 -0.053232 0.031376 0.023233 0.239922 0.310513 30O 4s -0.206996 0.183909 -0.109011 -0.078813 -0.753582 -0.959662 30O 5s -0.024100 0.102497 -0.117776 -0.027571 -0.200461 -0.383532 30O 1pz -0.009734 0.012282 -0.006149 -0.004601 -0.033927 -0.043752 30O 1px 0.006963 -0.007446 0.003875 0.003104 0.045570 0.063327 30O 1py 0.010523 -0.013028 0.006741 0.005294 0.036306 0.046427 30O 2pz 0.061841 -0.070964 0.041518 0.027432 0.268918 0.351383 30O 2px -0.048190 0.046179 -0.028797 -0.016490 -0.361114 -0.486690 30O 2py -0.071180 0.082383 -0.049385 -0.030886 -0.289640 -0.376296 30O 3pz 0.042229 -0.031117 0.050515 0.009081 0.133126 0.138519 30O 3px 0.015807 -0.014986 -0.035520 0.015538 -0.054745 -0.050383 30O 3py -0.093884 0.083931 -0.083331 -0.063511 -0.178460 -0.191565 30O 1dz2 0.001441 -0.001665 0.000641 0.001685 0.001056 0.002542 30O 1dxz -0.001770 0.001955 -0.001073 0.000153 -0.010850 -0.013606 30O 1dyz -0.004507 0.002926 -0.002159 -0.001086 -0.003935 -0.005077 30O 1dx2y2 -0.006187 0.006407 -0.003408 -0.001994 0.001427 0.000202 30O 1dxy 0.006095 -0.006301 0.003143 0.002963 0.015188 0.019523 30O 2dz2 -0.002999 0.004626 -0.001586 -0.004570 0.024046 0.028892 30O 2dxz 0.012216 -0.010354 0.007815 0.001792 0.157788 0.205366 30O 2dyz 0.030447 -0.025743 0.016842 0.009559 0.104548 0.139926 30O 2dx2y2 0.026090 -0.029226 0.015313 0.010209 -0.042039 -0.049693 30O 2dxy -0.026986 0.026232 -0.016290 -0.011475 -0.179137 -0.233256 30O 1f0 -0.002372 0.002307 -0.001055 -0.000962 -0.037425 -0.050139 30O 1f+1 0.001868 -0.002544 0.001032 0.000894 -0.011114 -0.015382 30O 1f-1 -0.001301 0.001866 -0.000885 -0.000589 -0.004031 -0.005733 30O 1f+2 -0.001831 0.003419 -0.001905 -0.001660 0.024133 0.031261 30O 1f-2 0.004611 -0.003572 0.002276 0.001894 0.066048 0.087851 30O 1f+3 -0.001150 0.001278 -0.001229 0.000003 -0.020466 -0.027337 30O 1f-3 -0.002219 0.003972 -0.001820 -0.001760 0.050754 0.067114 31O 1s -0.004741 -0.003887 -0.003168 0.001668 -0.012058 0.015460 31O 2s -0.000189 -0.000217 -0.000134 0.000051 -0.001750 0.002358 31O 3s 0.060229 0.050271 0.040955 -0.020030 0.240173 -0.311359 31O 4s -0.199952 -0.173498 -0.141893 0.067224 -0.754420 0.962411 31O 5s -0.021833 -0.090375 -0.134646 0.008040 -0.200439 0.384438 31O 1pz 0.009276 0.011625 0.008227 -0.003859 0.033982 -0.043877 31O 1px -0.006713 -0.007115 -0.005254 0.002682 -0.045632 0.063505 31O 1py -0.010042 -0.012351 -0.009037 0.004422 -0.036310 0.046522 31O 2pz -0.059149 -0.066716 -0.053826 0.022344 -0.269248 0.352387 31O 2px 0.046613 0.043673 0.037009 -0.013301 0.361515 -0.488013 31O 2py 0.068203 0.077463 0.063529 -0.024555 0.289751 -0.377095 31O 3pz -0.042201 -0.026922 -0.055946 0.002265 -0.133495 0.139348 31O 3px -0.015644 -0.019304 0.031331 0.022137 0.054675 -0.050668 31O 3py 0.090274 0.075811 0.103193 -0.052622 0.178950 -0.192749 31O 1dz2 0.001365 0.001627 0.001114 -0.001602 0.001055 -0.002550 31O 1dxz -0.001756 -0.001873 -0.001263 -0.000281 -0.010859 0.013658 31O 1dyz -0.004411 -0.002757 -0.002664 0.000906 -0.003934 0.005095 31O 1dx2y2 -0.006011 -0.006096 -0.004412 0.001632 0.001429 -0.000218 31O 1dxy 0.005860 0.005982 0.004308 -0.002632 0.015213 -0.019583 31O 2dz2 -0.002832 -0.004546 -0.002850 0.004324 0.024033 -0.028886 31O 2dxz 0.011947 0.009711 0.009378 -0.000896 0.157945 -0.205971 31O 2dyz 0.029566 0.024271 0.021301 -0.007824 0.104617 -0.140276 31O 2dx2y2 0.025256 0.027776 0.020030 -0.008488 -0.042101 0.049897 31O 2dxy -0.025986 -0.024638 -0.021112 0.009622 -0.179282 0.233808 31O 1f0 0.002289 0.002217 0.001486 -0.000865 0.037455 -0.050250 31O 1f+1 -0.001773 -0.002418 -0.001434 0.000772 0.011143 -0.015464 31O 1f-1 0.001274 0.001802 0.001202 -0.000496 0.004049 -0.005773 31O 1f+2 0.001732 0.003226 0.002535 -0.001377 -0.024162 0.031358 31O 1f-2 -0.004443 -0.003363 -0.003002 0.001661 -0.066097 0.088059 31O 1f+3 0.001131 0.001162 0.001365 0.000162 0.020469 -0.027370 31O 1f-3 0.002106 0.003782 0.002510 -0.001501 -0.050796 0.067262 32O 1s -0.000161 -0.000096 -0.000324 0.000200 -0.001182 0.000001 32O 2s 0.000024 0.000010 0.000017 -0.000023 0.000286 0.000014 32O 3s 0.000883 0.000707 0.003390 -0.001535 0.006652 -0.000834 32O 4s -0.004835 -0.002723 -0.018106 0.004951 -0.021919 0.001846 32O 5s 0.023718 0.009684 0.060879 -0.013389 0.075228 0.008275 32O 1pz 0.000277 -0.000946 -0.000526 -0.000838 -0.001644 0.000814 32O 1px 0.000186 -0.000370 -0.000115 -0.000194 0.004610 0.000486 32O 1py 0.000026 0.000879 -0.000545 -0.000492 -0.001645 -0.000675 32O 2pz -0.000846 0.004884 0.002857 0.002931 0.005355 -0.006653 32O 2px -0.001881 0.001469 -0.001290 0.001005 -0.015371 -0.004432 32O 2py 0.000936 -0.003297 0.002608 0.001621 0.008303 0.004454 32O 3pz 0.003943 -0.004306 -0.014878 -0.016780 -0.017059 -0.002224 32O 3px 0.005190 -0.007802 0.022541 -0.002599 0.043534 0.003080 32O 3py 0.009380 0.016110 0.006498 -0.008927 -0.003894 -0.001779 32O 1dz2 -0.000382 0.000038 0.000109 -0.000211 -0.001039 -0.000115 32O 1dxz -0.000043 -0.000216 0.000464 0.000533 -0.001148 -0.000091 32O 1dyz -0.000618 0.000259 0.000232 0.000528 -0.000267 0.000432 32O 1dx2y2 -0.000110 0.000204 -0.000638 -0.000041 0.001733 -0.000068 32O 1dxy -0.000385 -0.000516 0.000091 0.000282 0.000830 0.000404 32O 2dz2 0.001366 0.000230 0.000007 0.000220 0.003400 0.000091 32O 2dxz 0.000426 0.000247 -0.001206 -0.000992 0.003408 0.001569 32O 2dyz 0.001511 0.000460 -0.000301 -0.001646 0.000591 -0.003499 32O 2dx2y2 0.000190 -0.000666 0.001831 0.000203 -0.003746 0.000112 32O 2dxy 0.000404 0.001097 -0.000515 -0.000361 -0.003141 -0.002218 32O 1f0 0.000100 -0.000072 0.000084 -0.000270 0.000043 0.000183 32O 1f+1 0.000045 -0.000037 0.000042 -0.000012 0.000235 -0.000221 32O 1f-1 0.000279 0.000085 0.000412 -0.000067 0.000857 0.000149 32O 1f+2 -0.000321 -0.000205 -0.000068 0.000069 0.000589 0.000243 32O 1f-2 0.000267 0.000010 0.000347 0.000097 0.000910 0.000427 32O 1f+3 -0.000170 -0.000192 -0.000045 0.000277 0.000887 -0.000172 32O 1f-3 -0.000138 -0.000156 -0.000026 -0.000120 0.000266 -0.000256 33O 1s 0.003411 -0.001406 -0.003963 -0.004425 -0.011706 0.004580 33O 2s 0.000150 -0.000150 -0.000185 -0.000216 -0.001741 0.000703 33O 3s -0.043749 0.021643 0.052292 0.056137 0.235388 -0.092738 33O 4s 0.142730 -0.076374 -0.179061 -0.192557 -0.743851 0.288783 33O 5s -0.000458 -0.085839 -0.155840 -0.107511 -0.219950 0.122501 33O 1pz -0.008143 0.006798 0.011877 0.015348 0.043277 -0.016097 33O 1px 0.006224 -0.004831 -0.008980 -0.010945 -0.049757 0.021088 33O 1py -0.002297 0.002392 0.004963 0.006519 0.007732 -0.003545 33O 2pz 0.053560 -0.045144 -0.085773 -0.094292 -0.347376 0.135768 33O 2px -0.042160 0.034973 0.063531 0.062636 0.397374 -0.161901 33O 2py 0.015378 -0.016283 -0.032049 -0.037279 -0.061556 0.024522 33O 3pz 0.059523 -0.052567 -0.128518 -0.105539 -0.192405 0.066607 33O 3px 0.016485 0.014910 0.044420 -0.021062 0.092759 -0.031505 33O 3py 0.037428 -0.000687 -0.046029 -0.060293 -0.084367 0.032984 33O 1dz2 -0.004207 0.001310 0.005474 0.006479 0.001740 -0.001425 33O 1dxz 0.004157 -0.002822 -0.005409 -0.005787 -0.015919 0.006454 33O 1dyz -0.001791 0.000608 0.001486 0.000210 -0.002822 0.001319 33O 1dx2y2 0.001022 -0.001245 -0.001868 -0.002392 0.006530 -0.001665 33O 1dxy 0.003569 -0.001409 -0.003706 -0.005797 -0.006038 0.002082 33O 2dz2 0.019833 -0.009289 -0.027910 -0.032714 -0.027652 0.014419 33O 2dxz -0.022256 0.016924 0.031911 0.029062 0.223438 -0.089408 33O 2dyz 0.013113 -0.006533 -0.014643 -0.013265 -0.012603 0.004924 33O 2dx2y2 -0.001091 0.000515 0.002326 0.008238 -0.122311 0.045935 33O 2dxy -0.013174 0.006695 0.016445 0.022230 0.046685 -0.016970 33O 1f0 0.001080 -0.000823 -0.002168 -0.003491 0.031203 -0.012172 33O 1f+1 -0.001802 0.001221 0.003106 0.002956 0.044935 -0.019086 33O 1f-1 0.001842 -0.001507 -0.002856 -0.004508 0.001563 -0.000593 33O 1f+2 0.001673 -0.001156 -0.000866 0.000501 -0.068095 0.027103 33O 1f-2 -0.002616 0.001733 0.003757 0.004596 0.015637 -0.005576 33O 1f+3 0.000711 -0.000055 -0.000040 -0.000001 -0.029825 0.011904 33O 1f-3 0.001411 -0.000708 -0.001733 -0.003107 0.015823 -0.005765 34O 1s -0.004871 -0.004588 -0.003378 0.001718 -0.011918 0.015466 34O 2s -0.000080 -0.000071 -0.000049 0.000112 -0.001767 0.002335 34O 3s 0.057038 0.052461 0.039894 -0.023500 0.238783 -0.310290 34O 4s -0.192935 -0.181520 -0.141491 0.082343 -0.746992 0.952549 34O 5s 0.097584 0.066335 -0.035849 0.023947 -0.203693 0.356313 34O 1pz 0.004462 0.006033 0.005031 -0.002212 -0.000728 0.003537 34O 1px 0.010580 0.012091 0.009331 -0.006533 0.065218 -0.086879 34O 1py -0.008164 -0.009064 -0.007257 0.004625 -0.017615 0.020229 34O 2pz -0.022500 -0.029748 -0.025936 0.012442 0.009092 -0.020079 34O 2px -0.067625 -0.068227 -0.062982 0.046043 -0.518039 0.681873 34O 2py 0.048067 0.053222 0.046269 -0.027016 0.136477 -0.168529 34O 3pz 0.005339 0.013130 0.020058 -0.033950 -0.046343 0.053755 34O 3px 0.010835 0.023508 -0.047365 0.013922 -0.160410 0.150219 34O 3py 0.014737 0.004474 0.017505 0.003436 0.112385 -0.124005 34O 1dz2 -0.001821 -0.001718 -0.000662 -0.000023 -0.006293 0.007811 34O 1dxz 0.002851 0.002461 0.001328 -0.000848 0.000539 -0.002585 34O 1dyz 0.001602 0.002252 0.001408 0.000300 0.006044 -0.008023 34O 1dx2y2 0.001491 0.000928 0.001016 -0.001376 0.014205 -0.016952 34O 1dxy -0.006097 -0.005853 -0.004674 0.002610 -0.007047 0.010509 34O 2dz2 0.010871 0.008716 0.007354 -0.004958 0.123481 -0.161413 34O 2dxz -0.012430 -0.012997 -0.008007 0.004348 0.012838 -0.010520 34O 2dyz 0.000119 -0.001427 -0.001352 -0.002817 -0.023527 0.028431 34O 2dx2y2 -0.006686 -0.001258 -0.005487 0.007681 -0.207928 0.266820 34O 2dxy 0.029171 0.028998 0.024262 -0.014292 0.100022 -0.136392 34O 1f0 -0.002396 -0.002221 -0.001425 0.000825 -0.008033 0.009789 34O 1f+1 0.001504 0.000658 0.000679 -0.000792 0.055155 -0.073482 34O 1f-1 -0.002020 -0.001781 -0.001546 0.001357 -0.011663 0.015531 34O 1f+2 -0.000425 -0.000593 -0.000739 0.000306 0.004356 -0.005646 34O 1f-2 0.002470 0.003464 0.002218 -0.001017 -0.010620 0.013743 34O 1f+3 -0.000173 -0.002041 -0.001323 -0.000363 0.063767 -0.084365 34O 1f-3 -0.001182 -0.001058 -0.001349 0.000804 -0.046153 0.061784 35O 1s 0.003596 -0.001910 -0.004214 -0.005167 -0.011710 0.004567 35O 2s 0.000037 -0.000021 -0.000021 -0.000081 -0.001662 0.000678 35O 3s -0.041162 0.022147 0.048090 0.059571 0.231327 -0.091241 35O 4s 0.137944 -0.076554 -0.168781 -0.207838 -0.721936 0.280341 35O 5s -0.127133 0.031814 0.028010 0.063695 -0.154524 0.109341 35O 1pz -0.005167 0.003460 0.007946 0.010337 0.010046 -0.002348 35O 1px -0.005228 0.003770 0.007171 0.010194 0.057533 -0.023259 35O 1py -0.005441 0.003507 0.008570 0.011865 0.028146 -0.012259 35O 2pz 0.027848 -0.018801 -0.047158 -0.059280 -0.075301 0.026084 35O 2px 0.033338 -0.022402 -0.049879 -0.064282 -0.455212 0.185057 35O 2py 0.030697 -0.021762 -0.051104 -0.065515 -0.218392 0.089984 35O 3pz -0.001660 -0.012046 -0.009296 0.023319 -0.103748 0.031828 35O 3px -0.033128 -0.005191 -0.038031 0.006032 -0.121326 0.038859 35O 3py -0.015541 0.014307 -0.002281 0.029578 -0.105504 0.035785 35O 1dz2 0.001313 -0.001513 -0.001704 -0.001606 -0.010787 0.004166 35O 1dxz -0.004153 0.001616 0.004903 0.006448 0.006011 -0.003384 35O 1dyz -0.000786 0.000629 0.000568 0.000929 -0.003166 0.000810 35O 1dx2y2 0.000245 -0.000678 -0.000312 0.000085 0.007352 -0.003010 35O 1dxy -0.002472 0.000410 0.002406 0.003704 0.009772 -0.003257 35O 2dz2 -0.003378 0.004205 0.005392 0.003348 0.130678 -0.051374 35O 2dxz 0.016549 -0.008108 -0.022722 -0.029380 -0.053827 0.025111 35O 2dyz 0.007854 -0.004769 -0.008757 -0.012987 -0.004647 0.004055 35O 2dx2y2 -0.000636 0.001415 0.000429 0.001511 -0.136278 0.055355 35O 2dxy 0.012074 -0.004851 -0.014505 -0.018823 -0.158681 0.061794 35O 1f0 0.000138 -0.000234 0.000670 0.000812 0.014271 -0.006487 35O 1f+1 0.000862 -0.000681 -0.002097 -0.003234 0.052057 -0.020823 35O 1f-1 -0.001580 0.000867 0.001638 0.001879 0.025657 -0.009834 35O 1f+2 -0.000824 0.000398 0.000636 0.001433 -0.016964 0.007272 35O 1f-2 0.001297 -0.001351 -0.002518 -0.003108 -0.008627 0.003861 35O 1f+3 -0.001150 0.000412 0.000875 0.001154 0.022043 -0.009643 35O 1f-3 -0.001178 0.000503 0.000663 0.000470 0.067232 -0.026745 756 757 758 759 760 761 23.32163 23.37179 43.52248 43.66656 43.84941 43.91815 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s -0.000060 0.000009 -0.051165 -0.012000 0.031537 0.011127 0Rh 2s -0.000240 0.000025 -0.293121 -0.069015 0.181016 0.063997 0Rh 3s -0.000527 0.000070 -0.501061 -0.117657 0.309052 0.109108 0Rh 4s 0.000451 0.000009 0.859540 0.203799 -0.531630 -0.188545 0Rh 5s 0.000935 -0.000488 -0.421732 -0.109987 0.266729 0.097518 0Rh 6s -0.001792 0.001182 0.157266 0.067003 -0.122630 -0.045455 0Rh 7s 0.009972 -0.007135 0.214631 0.065665 -0.009174 -0.000232 0Rh 8s 0.008989 0.001976 -0.071780 0.188764 -0.026544 0.002712 0Rh 1pz 0.000504 -0.000034 0.000519 -0.000321 0.000413 -0.000857 0Rh 1px 0.000040 0.000010 -0.001565 0.000798 -0.001145 -0.000303 0Rh 1py 0.000588 -0.000055 -0.000171 -0.000016 -0.000170 0.000615 0Rh 2pz -0.002426 0.000157 -0.002410 0.001479 -0.001931 0.003952 0Rh 2px -0.000199 -0.000045 0.007269 -0.003663 0.005342 0.001394 0Rh 2py -0.002840 0.000251 0.000793 0.000087 0.000791 -0.002835 0Rh 3pz 0.014096 -0.000755 0.011841 -0.007037 0.009753 -0.017998 0Rh 3px 0.001255 0.000246 -0.035828 0.017147 -0.026822 -0.006197 0Rh 3py 0.016609 -0.001203 -0.003894 -0.000777 -0.003878 0.012873 0Rh 4pz -0.035240 0.001616 -0.025702 0.015149 -0.021509 0.030499 0Rh 4px -0.003396 -0.000612 0.078285 -0.036267 0.058773 0.009593 0Rh 4py -0.041731 0.002492 0.008639 0.002496 0.008076 -0.021659 0Rh 5pz 0.043637 -0.002299 0.036140 -0.026882 0.028056 -0.019476 0Rh 5px 0.004734 0.000921 -0.110371 0.066720 -0.075736 -0.003248 0Rh 5py 0.051550 -0.002624 -0.012827 -0.002360 -0.008932 0.013356 0Rh 6pz 0.033950 0.006415 -0.145293 0.327327 -0.156878 0.349749 0Rh 6px -0.006884 0.000372 0.361076 -0.940050 0.420979 0.132320 0Rh 6py 0.060587 -0.017925 0.017694 -0.087071 0.047631 -0.244862 0Rh 1dz2 -0.001385 0.002810 0.000427 -0.000842 0.000107 0.000111 0Rh 1dxz 0.003064 0.000007 0.000473 -0.001042 0.000147 -0.000286 0Rh 1dyz -0.000215 0.007885 0.000350 -0.000407 0.000091 -0.000134 0Rh 1dx2y2 -0.000527 0.001267 -0.000767 0.001727 -0.000171 -0.000127 0Rh 1dxy 0.003937 0.002974 -0.001024 0.001134 -0.000231 0.000117 0Rh 2dz2 0.003793 -0.007915 -0.001453 0.002849 -0.000179 -0.000409 0Rh 2dxz -0.008477 -0.000028 -0.001608 0.003534 -0.000252 0.000946 0Rh 2dyz 0.000541 -0.022214 -0.001175 0.001366 -0.000264 0.000456 0Rh 2dx2y2 0.001468 -0.003576 0.002594 -0.005842 0.000216 0.000491 0Rh 2dxy -0.010891 -0.008380 0.003427 -0.003812 0.000638 -0.000385 0Rh 3dz2 -0.005725 0.012940 0.002985 -0.005920 -0.000660 0.001057 0Rh 3dxz 0.013276 0.000106 0.003298 -0.007360 -0.000864 -0.001863 0Rh 3dyz -0.000542 0.036393 0.002365 -0.002789 0.000303 -0.000975 0Rh 3dx2y2 -0.002360 0.005894 -0.005274 0.012110 0.001630 -0.001379 0Rh 3dxy 0.017060 0.013730 -0.006935 0.007793 -0.000493 0.000761 0Rh 4dz2 0.005751 -0.015466 -0.004117 0.010242 0.005891 -0.003012 0Rh 4dxz -0.015896 -0.000602 -0.004171 0.012600 0.007888 0.003320 0Rh 4dyz -0.000875 -0.044644 -0.003651 0.004706 0.000592 0.002026 0Rh 4dx2y2 0.003182 -0.007491 0.006705 -0.020655 -0.012450 0.004192 0Rh 4dxy -0.020363 -0.016766 0.011010 -0.013230 -0.002903 -0.001504 0Rh 5dz2 -0.003000 0.004542 -0.006815 -0.022074 -0.015664 0.008670 0Rh 5dxz 0.022634 0.003018 -0.012582 -0.025722 -0.020471 -0.013649 0Rh 5dyz 0.008490 0.020707 0.002126 -0.008913 -0.002825 -0.007636 0Rh 5dx2y2 -0.006437 0.005062 0.018465 0.041849 0.032177 -0.010270 0Rh 5dxy 0.027837 0.006881 -0.008865 0.026406 0.008909 0.007939 0Rh 1f0 0.002162 -0.001451 0.002222 -0.003873 -0.000603 -0.000055 0Rh 1f+1 0.001992 0.001643 -0.001613 0.003122 0.000540 -0.001284 0Rh 1f-1 0.007054 -0.001996 -0.000453 0.001043 -0.000011 -0.000248 0Rh 1f+2 -0.002823 -0.001143 -0.002945 0.005603 0.000466 0.000874 0Rh 1f-2 0.003561 0.003689 -0.000867 0.001952 0.000197 0.001025 0Rh 1f+3 -0.000282 -0.000354 -0.003355 0.006291 0.000849 -0.001401 0Rh 1f-3 0.002064 -0.002265 -0.001605 0.003086 0.000602 0.000673 1Rh 1s 0.000074 0.000011 -0.051209 0.011954 -0.031437 0.011248 1Rh 2s 0.000306 0.000034 -0.293370 0.068750 -0.180443 0.064695 1Rh 3s 0.000656 0.000089 -0.501486 0.117204 -0.308074 0.110297 1Rh 4s -0.000634 -0.000008 0.860273 -0.203022 0.529940 -0.190599 1Rh 5s -0.000794 -0.000520 -0.422111 0.109614 -0.265844 0.098564 1Rh 6s 0.001313 0.001250 0.157450 -0.066890 0.122189 -0.045882 1Rh 7s -0.006752 -0.007200 0.214822 -0.065236 0.009249 0.000426 1Rh 8s -0.008359 0.002874 -0.071793 -0.189041 0.026703 0.006250 1Rh 1pz 0.000497 0.000032 -0.000519 -0.000318 0.000409 0.000860 1Rh 1px 0.000052 -0.000011 0.001564 0.000801 -0.001147 0.000296 1Rh 1py 0.000590 0.000053 0.000173 -0.000015 -0.000169 -0.000617 1Rh 2pz -0.002396 -0.000147 0.002410 0.001466 -0.001910 -0.003965 1Rh 2px -0.000255 0.000051 -0.007264 -0.003677 0.005353 -0.001359 1Rh 2py -0.002845 -0.000245 -0.000801 0.000083 0.000787 0.002841 1Rh 3pz 0.013950 0.000695 -0.011840 -0.006976 0.009658 0.018065 1Rh 3px 0.001541 -0.000278 0.035805 0.017213 -0.026869 0.006023 1Rh 3py 0.016639 0.001161 0.003932 -0.000755 -0.003858 -0.012896 1Rh 4pz -0.034933 -0.001463 0.025694 0.015031 -0.021351 -0.030666 1Rh 4px -0.004036 0.000693 -0.078236 -0.036400 0.058850 -0.009200 1Rh 4py -0.041805 -0.002385 -0.008723 0.002445 0.008049 0.021675 1Rh 5pz 0.043278 0.002114 -0.036089 -0.026760 0.027958 0.019769 1Rh 5px 0.005555 -0.001048 0.110282 0.066878 -0.075772 0.002649 1Rh 5py 0.051651 0.002530 0.012937 -0.002258 -0.008960 -0.013259 1Rh 6pz 0.034112 -0.007075 0.144837 0.326348 -0.154739 -0.351800 1Rh 6px -0.009061 0.000139 -0.359918 -0.940737 0.421508 -0.127247 1Rh 6py 0.059995 0.016991 -0.018205 -0.088391 0.048191 0.244365 1Rh 1dz2 0.001411 0.002807 0.000423 0.000837 -0.000110 0.000116 1Rh 1dxz -0.003042 0.000030 0.000477 0.001051 -0.000147 -0.000275 1Rh 1dyz 0.000247 0.007894 0.000352 0.000408 -0.000091 -0.000143 1Rh 1dx2y2 0.000499 0.001253 -0.000759 -0.001724 0.000173 -0.000136 1Rh 1dxy -0.003933 0.003003 -0.001026 -0.001137 0.000228 0.000125 1Rh 2dz2 -0.003866 -0.007907 -0.001438 -0.002832 0.000189 -0.000424 1Rh 2dxz 0.008414 -0.000091 -0.001623 -0.003564 0.000252 0.000908 1Rh 2dyz -0.000631 -0.022242 -0.001182 -0.001371 0.000264 0.000488 1Rh 2dx2y2 -0.001387 -0.003536 0.002567 0.005832 -0.000220 0.000523 1Rh 2dxy 0.010881 -0.008463 0.003436 0.003820 -0.000625 -0.000411 1Rh 3dz2 0.005850 0.012933 0.002955 0.005887 0.000643 0.001087 1Rh 3dxz -0.013165 0.000206 0.003327 0.007420 0.000869 -0.001781 1Rh 3dyz 0.000689 0.036445 0.002383 0.002797 -0.000302 -0.001048 1Rh 3dx2y2 0.002218 0.005827 -0.005219 -0.012093 -0.001625 -0.001459 1Rh 3dxy -0.017047 0.013867 -0.006950 -0.007811 0.000467 0.000806 1Rh 4dz2 -0.005954 -0.015489 -0.004069 -0.010186 -0.005867 -0.003070 1Rh 4dxz 0.015690 -0.000737 -0.004216 -0.012700 -0.007910 0.003137 1Rh 4dyz 0.000691 -0.044750 -0.003692 -0.004711 -0.000598 0.002185 1Rh 4dx2y2 -0.002907 -0.007386 0.006608 0.020632 0.012453 0.004411 1Rh 4dxy 0.020382 -0.016961 0.011029 0.013264 0.002954 -0.001533 1Rh 5dz2 0.003398 0.004761 -0.006928 0.021930 0.015600 0.008891 1Rh 5dxz -0.022097 0.003268 -0.012522 0.025824 0.020551 -0.013152 1Rh 5dyz -0.008385 0.021055 0.002210 0.008825 0.002854 -0.007906 1Rh 5dx2y2 0.005687 0.004824 0.018665 -0.041799 -0.032154 -0.010959 1Rh 5dxy -0.028049 0.007240 -0.008870 -0.026476 -0.008985 0.007861 1Rh 1f0 0.002169 0.001438 -0.002208 -0.003877 -0.000610 0.000057 1Rh 1f+1 0.001983 -0.001657 0.001612 0.003128 0.000533 0.001279 1Rh 1f-1 0.007060 0.001964 0.000461 0.001049 -0.000006 0.000235 1Rh 1f+2 -0.002827 0.001152 0.002931 0.005592 0.000473 -0.000901 1Rh 1f-2 0.003547 -0.003703 0.000852 0.001939 0.000207 -0.001030 1Rh 1f+3 -0.000280 0.000349 0.003350 0.006305 0.000847 0.001386 1Rh 1f-3 0.002072 0.002267 0.001617 0.003103 0.000605 -0.000669 2C 1s -0.039166 -0.035991 -0.000597 -0.000294 -0.000667 0.001105 2C 2s 0.049753 0.046266 0.000981 0.000594 0.001306 -0.002170 2C 3s -0.115180 -0.119036 0.038630 -0.006668 -0.009011 0.004220 2C 4s 0.948956 0.850678 -0.240240 0.026138 0.040294 0.025976 2C 5s -0.781579 -0.383038 0.444098 -0.013332 -0.163224 -0.083572 2C 1pz 0.006811 0.002093 0.001963 0.000104 0.000703 0.001265 2C 1px 0.006448 0.004657 0.000816 -0.002042 -0.000426 0.001710 2C 1py 0.004365 0.001261 0.000837 -0.000472 0.000222 0.001227 2C 2pz 0.510510 0.441529 -0.114396 0.008280 0.008886 0.021014 2C 2px 0.036141 0.033606 -0.033676 -0.006681 -0.020054 0.000826 2C 2py 0.345202 0.297870 -0.073565 -0.000168 -0.002982 0.014318 2C 3pz -0.180700 -0.086080 0.091138 0.010649 0.004184 -0.035828 2C 3px -0.096513 -0.059698 0.031538 -0.011603 -0.073210 0.025625 2C 3py -0.127579 -0.057138 0.060288 0.000631 -0.024382 -0.006003 2C 1dz2 0.000604 0.002576 -0.003079 0.000722 -0.001472 0.001582 2C 1dxz -0.000708 0.000518 -0.001737 -0.001564 0.001396 -0.000890 2C 1dyz 0.007178 0.007716 -0.004780 0.000386 0.000560 0.000646 2C 1dx2y2 0.003134 0.001320 0.001770 0.000212 0.001644 -0.001172 2C 1dxy 0.004115 0.003686 -0.000881 -0.000959 0.001200 0.000753 2C 2dz2 0.074644 0.065362 -0.026427 0.004151 0.012649 0.000586 2C 2dxz 0.085728 0.070584 -0.003807 -0.001462 -0.019113 0.016085 2C 2dyz 0.057116 0.056664 -0.042228 -0.000328 0.003118 0.003162 2C 2dx2y2 -0.085573 -0.071344 0.006455 -0.003841 -0.003129 -0.006935 2C 2dxy -0.001618 0.000013 -0.007441 -0.001013 -0.013048 0.002840 2C 1f0 -0.011346 -0.007328 -0.002559 0.001756 -0.001064 0.001212 2C 1f+1 -0.020230 -0.012879 -0.002826 -0.001262 0.001761 0.000279 2C 1f-1 -0.055827 -0.039546 -0.006968 0.001398 0.000116 0.000484 2C 1f+2 0.031076 0.020981 0.005423 -0.001192 -0.000519 -0.000732 2C 1f-2 -0.013077 -0.008466 -0.002738 -0.001501 0.002678 -0.000405 2C 1f+3 -0.012411 -0.009325 0.000404 -0.001314 0.000637 0.000268 2C 1f-3 -0.012585 -0.008157 -0.001657 0.000019 0.000004 0.000695 3C 1s 0.009114 0.036538 -0.000776 0.000111 -0.000753 0.001213 3C 2s -0.011424 -0.047014 0.001330 -0.000226 0.001486 -0.002380 3C 3s 0.027420 0.118054 0.036789 0.002612 -0.008771 0.005287 3C 4s -0.266697 -0.833144 -0.231762 -0.008291 0.029718 0.023959 3C 5s 0.163793 0.373670 0.429570 -0.009678 -0.104752 -0.044130 3C 1pz -0.000255 0.001189 0.000544 0.000740 0.000329 -0.000083 3C 1px -0.001594 -0.003429 0.000965 -0.001594 -0.000697 0.001771 3C 1py 0.002441 0.003116 -0.002144 -0.000600 0.000179 -0.001711 3C 2pz -0.094725 -0.284957 -0.059428 0.001896 0.004281 0.015213 3C 2px -0.045777 -0.128965 -0.044381 -0.011096 -0.020298 0.026872 3C 2py 0.152885 0.417121 0.116445 0.000409 -0.005581 -0.017958 3C 3pz -0.022882 0.024107 0.051725 -0.001801 0.017557 -0.036313 3C 3px 0.023941 0.055523 0.032525 -0.010138 -0.074030 0.073590 3C 3py -0.075594 -0.096753 -0.094704 -0.000232 -0.004605 0.032632 3C 1dz2 0.004309 0.003404 0.000500 0.000671 -0.000340 0.000213 3C 1dxz 0.000913 -0.000576 -0.001968 -0.000890 -0.000652 0.000436 3C 1dyz 0.001636 0.007250 0.003973 -0.000546 0.000576 -0.002154 3C 1dx2y2 0.000112 0.000617 0.003468 -0.000727 0.001659 -0.002786 3C 1dxy 0.000249 0.003514 0.002580 0.001410 -0.002280 0.002461 3C 2dz2 -0.009522 -0.002803 0.009996 0.000099 0.004703 -0.004396 3C 2dxz -0.024709 -0.058316 -0.010176 0.001789 -0.008469 0.015485 3C 2dyz 0.013132 0.030723 0.038530 0.001345 -0.011880 0.009204 3C 2dx2y2 0.028253 0.091950 0.020034 -0.002944 -0.010588 0.001673 3C 2dxy 0.021160 0.060566 0.019879 0.003651 0.019433 -0.027698 3C 1f0 -0.010287 -0.022980 0.002782 0.000232 -0.000398 0.000405 3C 1f+1 0.001239 0.002757 -0.000842 -0.000254 0.000119 0.000066 3C 1f-1 -0.003178 -0.008400 0.000290 -0.000814 0.000933 -0.001054 3C 1f+2 -0.010191 -0.022456 0.005650 -0.001432 0.000685 -0.001599 3C 1f-2 -0.009959 -0.021351 0.005259 0.001415 -0.002019 0.001157 3C 1f+3 0.010192 0.023642 -0.004817 -0.001543 0.001716 -0.000645 3C 1f-3 -0.006758 -0.015782 0.002475 -0.001692 0.001660 -0.003258 4C 1s 0.951666 0.708910 -0.002781 0.000386 0.000016 0.003437 4C 2s -1.273792 -0.950769 0.005742 -0.000774 -0.000070 -0.007308 4C 3s 1.284747 1.002461 -0.063161 0.013068 -0.001842 0.004541 4C 4s 0.029277 -0.155490 0.188147 -0.062943 0.009515 0.047219 4C 5s 1.018493 0.986945 -0.218581 0.021370 0.062088 0.027497 4C 1pz 0.002135 0.002939 0.006695 0.003485 0.005609 -0.004312 4C 1px -0.001669 -0.000563 -0.000063 -0.008123 -0.018246 0.012863 4C 1py 0.004725 0.003339 0.003493 -0.001439 -0.003595 0.002238 4C 2pz 1.117504 0.850190 -0.110658 -0.022758 0.223811 -0.029904 4C 2px 0.203658 0.145890 -0.036773 0.043352 -0.661480 0.267117 4C 2py 0.735221 0.560806 -0.077115 0.004673 -0.113593 0.082612 4C 3pz -0.276249 0.148442 0.233990 0.002954 -0.113338 -0.041170 4C 3px -0.056317 0.031970 0.021191 0.078659 0.195504 -0.090418 4C 3py -0.168313 0.103074 0.150784 0.037293 0.000943 -0.059699 4C 1dz2 -0.029890 -0.020278 -0.002700 -0.002172 0.018780 -0.008880 4C 1dxz -0.100713 -0.070310 -0.003187 0.003993 -0.032704 0.010709 4C 1dyz 0.082288 0.058785 -0.005388 -0.001181 0.001189 0.000826 4C 1dx2y2 0.168829 0.117959 0.002709 -0.000884 -0.001782 0.004935 4C 1dxy 0.098141 0.069256 -0.000723 0.002411 -0.024341 0.016701 4C 2dz2 -0.336104 -0.274406 0.045242 0.017363 0.137164 -0.076016 4C 2dxz -0.363202 -0.297987 0.015761 -0.022422 -0.241583 0.078395 4C 2dyz -0.235327 -0.196919 0.075685 0.000636 0.006000 -0.010427 4C 2dx2y2 0.501107 0.404907 -0.017192 -0.005308 -0.013769 0.039918 4C 2dxy 0.121866 0.093432 0.013394 -0.023876 -0.180537 0.068957 4C 1f0 -0.061339 -0.044252 -0.003024 -0.001026 -0.000059 -0.001324 4C 1f+1 -0.141464 -0.102105 -0.007797 0.002676 -0.005297 0.000102 4C 1f-1 0.005502 0.009091 -0.007495 0.001647 0.015088 -0.005086 4C 1f+2 0.107208 0.076578 0.007982 0.001137 0.020860 -0.006613 4C 1f-2 0.003853 0.004309 -0.004184 0.000490 -0.022454 0.009846 4C 1f+3 0.017594 0.014233 -0.000814 0.002800 0.018441 -0.006239 4C 1f-3 -0.124747 -0.090747 -0.005079 0.003930 0.024376 -0.011818 5C 1s -0.284463 -0.695460 -0.002498 -0.000428 -0.000586 0.003724 5C 2s 0.380758 0.932729 0.005158 0.000880 0.001279 -0.007969 5C 3s -0.380095 -0.985059 -0.065824 -0.009160 0.001913 0.003424 5C 4s -0.031182 0.161540 0.210710 0.036757 -0.030705 0.068286 5C 5s -0.286084 -0.977618 -0.190422 -0.017547 0.056890 0.015458 5C 1pz 0.004457 -0.003592 0.003238 0.002119 0.006100 -0.010911 5C 1px 0.000564 -0.002162 0.003056 -0.008478 -0.018764 0.034151 5C 1py 0.004524 0.002443 -0.005980 -0.001252 -0.002911 0.006433 5C 2pz -0.219992 -0.491492 -0.063452 -0.006356 0.210284 -0.181945 5C 2px -0.135978 -0.299350 -0.033789 0.035336 -0.667203 0.699977 5C 2py 0.316476 0.822754 0.107614 0.002162 -0.118226 0.062868 5C 3pz 0.090456 -0.092610 0.140884 -0.026476 -0.078402 0.040340 5C 3px 0.029945 -0.056856 0.091863 0.057249 0.198755 -0.228850 5C 3py -0.018160 0.158715 -0.238378 0.035185 0.054026 0.005947 5C 1dz2 0.035435 0.082695 -0.000637 -0.001450 0.012660 -0.017506 5C 1dxz 0.028893 0.066945 -0.002226 0.001481 -0.016092 0.015785 5C 1dyz 0.035871 0.082021 0.004216 0.000949 -0.014184 0.013914 5C 1dx2y2 -0.040395 -0.090683 0.004905 0.002211 -0.020108 0.027688 5C 1dxy -0.004259 -0.009935 0.003282 -0.003211 0.032088 -0.038480 5C 2dz2 0.052857 0.136720 -0.019960 0.007783 0.087881 -0.104380 5C 2dxz 0.108021 0.287257 0.018368 -0.018112 -0.121069 0.110103 5C 2dyz -0.028756 -0.084500 -0.066224 -0.014081 -0.107872 0.118930 5C 2dx2y2 -0.176171 -0.444273 -0.033898 -0.014244 -0.146629 0.184138 5C 2dxy -0.083678 -0.226931 -0.043483 0.030039 0.234930 -0.228072 5C 1f0 0.021830 0.054378 0.001764 -0.002557 -0.019125 0.017448 5C 1f+1 0.031467 0.071139 -0.004380 0.001923 0.020533 -0.022913 5C 1f-1 -0.002016 -0.003162 0.001280 -0.000220 -0.012331 0.013597 5C 1f+2 0.000430 0.005877 0.005949 0.002648 0.004078 -0.003653 5C 1f-2 -0.027179 -0.062486 0.007817 0.003263 0.031514 -0.032778 5C 1f+3 0.031027 0.071134 -0.008298 0.001856 0.011311 -0.010910 5C 1f-3 -0.038932 -0.092969 0.008613 0.002661 -0.008054 0.011856 6C 1s 0.273234 -0.696184 -0.002499 0.000454 0.000620 0.003762 6C 2s -0.365727 0.933698 0.005159 -0.000934 -0.001353 -0.008053 6C 3s 0.365016 -0.986034 -0.065665 0.008768 -0.001800 0.003322 6C 4s 0.030059 0.161528 0.209743 -0.033897 0.030966 0.069898 6C 5s 0.274483 -0.977969 -0.190180 0.018334 -0.057994 0.013784 6C 1pz 0.004522 0.003548 -0.003229 0.002143 0.006052 0.010951 6C 1px 0.000583 0.002182 -0.003001 -0.008544 -0.018635 -0.034265 6C 1py 0.004486 -0.002442 0.005980 -0.001261 -0.002874 -0.006431 6C 2pz -0.212137 0.492070 0.063690 -0.006576 0.209563 0.182699 6C 2px -0.130924 0.299634 0.032846 0.034484 -0.664991 -0.702806 6C 2py 0.303386 -0.823738 -0.107798 0.002710 -0.117392 -0.062756 6C 3pz 0.088158 0.092085 -0.139396 -0.028278 -0.077916 -0.041319 6C 3px 0.028774 0.056850 -0.092074 0.057304 0.198027 0.231190 6C 3py -0.015170 -0.158068 0.236418 0.037694 0.053405 -0.005793 6C 1dz2 -0.033997 0.082744 -0.000647 0.001406 -0.012659 -0.017627 6C 1dxz -0.027768 0.067074 -0.002216 -0.001514 0.016001 0.015799 6C 1dyz -0.034445 0.082088 0.004215 -0.000953 0.014092 0.013956 6C 1dx2y2 0.038804 -0.090800 0.004939 -0.002148 0.020062 0.027822 6C 1dxy 0.004049 -0.009866 0.003255 0.003170 -0.031947 -0.038642 6C 2dz2 -0.050660 0.136712 -0.019920 -0.008261 -0.087654 -0.104939 6C 2dxz -0.103770 0.287859 0.018555 0.018038 0.120370 0.110323 6C 2dyz 0.027470 -0.084514 -0.066015 0.014007 0.107542 0.119315 6C 2dx2y2 0.169446 -0.444640 -0.033995 0.014973 0.146218 0.185045 6C 2dxy 0.080393 -0.227265 -0.043712 -0.030195 -0.234058 -0.228919 6C 1f0 0.020959 -0.054383 -0.001801 -0.002529 -0.019073 -0.017529 6C 1f+1 0.030300 -0.071244 0.004380 0.002002 0.020445 0.023000 6C 1f-1 -0.001939 0.003147 -0.001285 -0.000251 -0.012298 -0.013669 6C 1f+2 0.000402 -0.005928 -0.005927 0.002635 0.004099 0.003686 6C 1f-2 -0.026120 0.062592 -0.007771 0.003244 0.031393 0.032885 6C 1f+3 0.029786 -0.071168 0.008285 0.001936 0.011265 0.010975 6C 1f-3 -0.037346 0.093054 -0.008584 0.002553 -0.008036 -0.011944 7C 1s -0.957118 0.712833 -0.002756 -0.000398 0.000023 0.003391 7C 2s 1.281089 -0.956028 0.005689 0.000799 -0.000014 -0.007207 7C 3s -1.291576 1.007716 -0.062740 -0.012872 0.001753 0.004550 7C 4s -0.032439 -0.154881 0.186384 0.061414 -0.008106 0.046251 7C 5s -1.020638 0.990590 -0.218896 -0.022982 -0.062879 0.027562 7C 1pz 0.002196 -0.002996 -0.006686 0.003498 0.005573 0.004321 7C 1px -0.001638 0.000550 0.000064 -0.008230 -0.018148 -0.012845 7C 1py 0.004581 -0.003217 -0.003557 -0.001462 -0.003576 -0.002211 7C 2pz 1.122994 -0.853798 0.110247 -0.021962 0.222505 0.031097 7C 2px 0.202746 -0.145237 0.037829 0.043616 -0.660000 -0.269021 7C 2py 0.742851 -0.566433 0.077980 0.005209 -0.113484 -0.082715 7C 3pz -0.277774 -0.148073 -0.233521 0.004214 -0.113745 0.039226 7C 3px -0.056601 -0.031425 -0.020093 0.079440 0.195347 0.090945 7C 3py -0.170415 -0.102459 -0.151083 0.038423 0.000372 0.058663 7C 1dz2 0.030606 -0.020814 -0.002685 0.002163 -0.018695 -0.008898 7C 1dxz 0.101510 -0.070859 -0.003235 -0.003973 0.032534 0.010822 7C 1dyz -0.083119 0.059371 -0.005388 0.001160 -0.001175 0.000780 7C 1dx2y2 -0.169625 0.118455 0.002705 0.000850 0.001795 0.004829 7C 1dxy -0.098620 0.069568 -0.000753 -0.002382 0.024357 0.016755 7C 2dz2 0.337264 -0.275033 0.045247 -0.017177 -0.136678 -0.076071 7C 2dxz 0.365140 -0.299235 0.015474 0.022889 0.240496 0.079303 7C 2dyz 0.237374 -0.198531 0.075818 -0.000468 -0.006321 -0.010478 7C 2dx2y2 -0.505288 0.408073 -0.017547 0.004894 0.013804 0.039549 7C 2dxy -0.122409 0.093836 0.013029 0.023702 0.180780 0.069529 7C 1f0 -0.062015 0.044749 0.002968 -0.001024 -0.000136 0.001294 7C 1f+1 -0.142194 0.102612 0.007704 0.002596 -0.005144 -0.000109 7C 1f-1 0.005513 -0.009115 0.007448 0.001671 0.015089 0.005152 7C 1f+2 0.107642 -0.076819 -0.008013 0.001161 0.020807 0.006726 7C 1f-2 0.003470 -0.004051 0.004201 0.000467 -0.022471 -0.009935 7C 1f+3 0.017977 -0.014494 0.000787 0.002797 0.018321 0.006266 7C 1f-3 -0.125736 0.091406 0.005014 0.003884 0.024304 0.011832 8C 1s -0.008663 0.036532 -0.000775 -0.000105 0.000776 0.001237 8C 2s 0.010852 -0.047005 0.001328 0.000215 -0.001531 -0.002428 8C 3s -0.026153 0.118150 0.036729 -0.002541 0.008981 0.005542 8C 4s 0.255855 -0.834062 -0.231451 0.008220 -0.030167 0.023340 8C 5s -0.155427 0.374405 0.426872 0.012549 0.105887 -0.042245 8C 1pz -0.000245 -0.001176 -0.000558 0.000745 0.000322 0.000083 8C 1px -0.001560 0.003511 -0.000969 -0.001599 -0.000706 -0.001813 8C 1py 0.002339 -0.003079 0.002145 -0.000592 0.000196 0.001731 8C 2pz -0.090713 0.285009 0.059542 0.001817 0.004138 -0.015429 8C 2px -0.043617 0.128192 0.044494 -0.011156 -0.020134 -0.026544 8C 2py 0.147136 -0.418086 -0.116303 0.000360 -0.005439 0.018026 8C 3pz -0.023332 -0.024236 -0.051523 -0.002060 0.017491 0.036594 8C 3px 0.023041 -0.056500 -0.032260 -0.010458 -0.073671 -0.074189 8C 3py -0.073001 0.096605 0.094141 0.000263 -0.004597 -0.032566 8C 1dz2 -0.004254 0.003425 0.000492 -0.000666 0.000354 0.000243 8C 1dxz -0.000868 -0.000578 -0.001970 0.000885 0.000646 0.000434 8C 1dyz -0.001540 0.007250 0.003966 0.000546 -0.000577 -0.002154 8C 1dx2y2 -0.000140 0.000609 0.003470 0.000723 -0.001669 -0.002812 8C 1dxy -0.000215 0.003540 0.002579 -0.001411 0.002245 0.002441 8C 2dz2 0.009521 -0.003016 0.009995 -0.000121 -0.004667 -0.004377 8C 2dxz 0.023970 -0.058684 -0.010154 -0.001742 0.008517 0.015717 8C 2dyz -0.012708 0.030689 0.038465 -0.001265 0.011922 0.009464 8C 2dx2y2 -0.026888 0.091858 0.020093 0.002972 0.010484 0.001647 8C 2dxy -0.020407 0.060841 0.019860 -0.003646 -0.019406 -0.027847 8C 1f0 -0.009917 0.023030 -0.002774 0.000209 -0.000390 -0.000404 8C 1f+1 0.001219 -0.002842 0.000820 -0.000257 0.000111 -0.000072 8C 1f-1 -0.003030 0.008372 -0.000289 -0.000818 0.000924 0.001055 8C 1f+2 -0.009797 0.022505 -0.005627 -0.001443 0.000656 0.001579 8C 1f-2 -0.009543 0.021265 -0.005265 0.001408 -0.002024 -0.001186 8C 1f+3 0.009778 -0.023701 0.004802 -0.001544 0.001703 0.000641 8C 1f-3 -0.006492 0.015797 -0.002475 -0.001689 0.001647 0.003239 9C 1s 0.039173 -0.036010 -0.000589 0.000304 0.000691 0.001093 9C 2s -0.049750 0.046282 0.000966 -0.000615 -0.001355 -0.002146 9C 3s 0.115462 -0.119383 0.038626 0.006829 0.009236 0.004142 9C 4s -0.953826 0.854823 -0.240048 -0.027035 -0.040674 0.025738 9C 5s 0.782977 -0.384727 0.443637 0.013319 0.165620 -0.081212 9C 1pz 0.006754 -0.002044 -0.001949 0.000103 0.000688 -0.001218 9C 1px 0.006519 -0.004726 -0.000822 -0.002057 -0.000433 -0.001658 9C 1py 0.004536 -0.001384 -0.000880 -0.000490 0.000212 -0.001229 9C 2pz 0.513803 -0.444080 0.113949 0.008638 0.008636 -0.021042 9C 2px 0.034956 -0.032580 0.033666 -0.006569 -0.019917 -0.001030 9C 2py 0.347174 -0.299262 0.074258 0.000218 -0.003029 -0.014127 9C 3pz -0.179748 0.085865 -0.090721 0.010783 0.003919 0.035321 9C 3px -0.097393 0.060459 -0.031721 -0.011659 -0.073022 -0.025803 9C 3py -0.130101 0.058549 -0.060670 0.000737 -0.024415 0.005878 9C 1dz2 -0.000576 0.002572 -0.003064 -0.000733 0.001459 0.001569 9C 1dxz 0.000705 0.000534 -0.001731 0.001569 -0.001347 -0.000888 9C 1dyz -0.007223 0.007748 -0.004776 -0.000399 -0.000525 0.000654 9C 1dx2y2 -0.003164 0.001332 0.001784 -0.000210 -0.001622 -0.001184 9C 1dxy -0.004155 0.003726 -0.000881 0.000953 -0.001262 0.000690 9C 2dz2 -0.074057 0.064774 -0.026276 -0.004211 -0.012548 0.000473 9C 2dxz -0.086328 0.070917 -0.003586 0.001289 0.019133 0.016110 9C 2dyz -0.057980 0.057380 -0.042379 0.000167 -0.003227 0.003162 9C 2dx2y2 0.086922 -0.072453 0.006548 0.003873 0.002955 -0.006915 9C 2dxy 0.001605 0.000067 -0.007405 0.001173 0.013150 0.003006 9C 1f0 -0.011137 0.007191 0.002510 0.001748 -0.001049 -0.001193 9C 1f+1 -0.020086 0.012763 0.002813 -0.001239 0.001741 -0.000237 9C 1f-1 -0.056206 0.039807 0.006951 0.001413 0.000129 -0.000493 9C 1f+2 0.031309 -0.021111 -0.005487 -0.001210 -0.000552 0.000726 9C 1f-2 -0.013118 0.008487 0.002692 -0.001506 0.002665 0.000404 9C 1f+3 -0.012365 0.009297 -0.000400 -0.001307 0.000633 -0.000272 9C 1f-3 -0.013057 0.008505 0.001647 0.000008 -0.000012 -0.000704 10H 1s 0.018824 0.012672 0.003473 -0.002126 0.000048 0.000563 10H 2s 0.078653 0.066458 0.007514 0.008706 -0.008750 0.016720 10H 3s 0.062107 0.042685 -0.040954 0.001750 0.048962 -0.012439 10H 1pz -0.010687 -0.007258 0.003804 0.000587 -0.002509 0.002140 10H 1px -0.035189 -0.026703 -0.003462 0.000199 0.003107 -0.002950 10H 1py -0.008151 -0.005547 0.002110 0.000366 -0.000793 0.001774 11H 1s -0.007889 -0.006843 0.001037 0.000304 -0.001212 -0.001630 11H 2s -0.059060 -0.045795 -0.011722 -0.002948 0.005689 -0.004121 11H 3s 0.009411 0.008396 -0.022268 0.010133 0.015177 0.002623 11H 1pz -0.018557 -0.014958 0.002668 0.000071 0.001230 -0.001457 11H 1px -0.007556 -0.006259 -0.000393 -0.000983 -0.000226 -0.000895 11H 1py -0.023767 -0.017984 0.001987 0.000315 0.000604 -0.000416 12H 1s 0.001303 -0.000224 0.001990 0.000957 -0.001859 0.000997 12H 2s -0.027025 -0.018575 -0.008044 -0.008624 0.006279 -0.005085 12H 3s 0.017876 0.015629 -0.027392 0.013146 0.007850 0.013731 12H 1pz -0.032719 -0.024684 0.002344 0.000370 0.001354 -0.001342 12H 1px -0.011795 -0.009257 -0.000131 -0.000837 0.000631 -0.001921 12H 1py -0.001928 -0.002049 0.002466 -0.001335 0.000827 -0.001372 13H 1s -0.005321 -0.011424 0.002973 -0.001810 0.000032 0.000659 13H 2s -0.018449 -0.057650 0.001940 0.012346 -0.009971 0.018027 13H 3s -0.016825 -0.039097 -0.028197 -0.011019 0.042922 -0.029605 13H 1pz -0.003034 -0.008596 0.003338 0.001072 -0.002663 0.004090 13H 1px 0.008176 0.022021 -0.000990 -0.000739 0.002299 -0.002747 13H 1py -0.005992 -0.013921 -0.002561 -0.000818 0.001813 -0.002277 14H 1s -0.001557 -0.002242 0.002012 0.001405 -0.001866 0.000342 14H 2s 0.006695 0.005489 -0.001402 -0.007513 0.005755 0.000415 14H 3s -0.013199 -0.022562 -0.030544 0.005444 -0.000822 0.013215 14H 1pz -0.000251 -0.001447 0.003091 -0.000443 0.000278 0.000467 14H 1px 0.002079 0.002779 0.002011 -0.000726 0.001314 -0.002014 14H 1py -0.009879 -0.025846 -0.001660 0.000108 -0.001442 0.002211 15H 1s 0.002488 0.008076 0.000625 0.000507 -0.000483 -0.000988 15H 2s 0.011076 0.047588 -0.010678 -0.002981 0.006229 -0.008038 15H 3s 0.032501 -0.005856 -0.021445 0.003921 0.010790 0.006494 15H 1pz 0.007538 0.013087 0.002184 0.000453 0.000485 -0.000388 15H 1px 0.003815 0.010665 0.000623 -0.000578 -0.000174 -0.000791 15H 1py -0.004093 -0.015273 -0.002643 -0.000000 -0.001387 0.002292 16H 1s 0.000460 0.003188 -0.069565 0.069438 -0.006675 -0.000052 16H 2s -0.016768 -0.030864 -0.044828 0.027017 0.016440 -0.003250 16H 3s 0.001832 -0.005265 0.084297 -0.061486 -0.005430 0.009827 16H 1pz -0.005424 -0.007148 -0.070425 0.069138 -0.002164 -0.001194 16H 1px 0.002901 0.004713 -0.001263 0.001156 -0.001009 -0.001619 16H 1py -0.001172 -0.003014 -0.038470 0.038962 -0.003347 -0.000060 17H 1s 0.000404 -0.002454 -0.069514 0.069538 -0.006831 -0.000583 17H 2s -0.011326 0.025527 -0.049282 0.029681 0.013786 0.016798 17H 3s -0.000046 0.004917 0.081943 -0.058448 -0.003511 -0.013152 17H 1pz 0.001018 -0.001582 0.047395 -0.045958 0.002099 -0.004970 17H 1px 0.002632 -0.007064 0.042653 -0.041744 0.001494 -0.000422 17H 1py -0.001172 0.003841 -0.050136 0.050207 -0.004362 0.002057 18H 1s -0.000402 -0.002335 -0.069444 -0.069646 0.006805 -0.000346 18H 2s 0.011388 0.024301 -0.049419 -0.030263 -0.013322 0.014219 18H 3s -0.000259 0.004779 0.081750 0.058409 0.003549 -0.013504 18H 1pz 0.001068 0.001545 -0.048634 -0.047333 0.002166 0.004741 18H 1px 0.002605 0.006823 -0.042830 -0.042130 0.001646 -0.000110 18H 1py -0.001070 -0.003638 0.048719 0.048998 -0.004360 -0.001777 19H 1s -0.000422 0.003253 -0.069484 -0.069532 0.006631 0.000118 19H 2s 0.016783 -0.031597 -0.044536 -0.026802 -0.016524 -0.005808 19H 3s -0.002093 -0.005351 0.084445 0.061794 0.005338 0.009176 19H 1pz -0.005386 0.007238 0.069407 0.068316 -0.002109 0.001834 19H 1px 0.002933 -0.004797 0.000710 0.000627 -0.001052 0.001328 19H 1py -0.001328 0.003153 0.039943 0.040462 -0.003273 0.000198 20H 1s -0.002353 0.008019 0.000632 -0.000517 0.000493 -0.000981 20H 2s -0.010405 0.047455 -0.010531 0.002883 -0.006362 -0.008370 20H 3s -0.032112 -0.005852 -0.021329 -0.004225 -0.010919 0.006527 20H 1pz 0.007326 -0.013162 -0.002166 0.000448 0.000486 0.000381 20H 1px 0.003676 -0.010775 -0.000606 -0.000566 -0.000133 0.000861 20H 1py -0.003892 0.015257 0.002668 -0.000024 -0.001403 -0.002352 21H 1s 0.001422 -0.002072 0.001990 -0.001390 0.001873 0.000342 21H 2s -0.006937 0.006463 -0.001546 0.007433 -0.005759 0.000123 21H 3s 0.012885 -0.022234 -0.030209 -0.005658 0.000325 0.012925 21H 1pz -0.000193 0.001388 -0.003078 -0.000450 0.000269 -0.000457 21H 1px 0.002154 -0.003062 -0.001961 -0.000714 0.001303 0.002062 21H 1py -0.009441 0.025834 0.001680 0.000092 -0.001453 -0.002243 22H 1s 0.005149 -0.011525 0.002967 0.001837 -0.000001 0.000697 22H 2s 0.017966 -0.058331 0.001943 -0.012368 0.010155 0.018632 22H 3s 0.016116 -0.039440 -0.028011 0.010839 -0.043236 -0.030443 22H 1pz -0.002886 0.008505 -0.003301 0.001060 -0.002686 -0.004173 22H 1px 0.007927 -0.022263 0.001011 -0.000744 0.002341 0.002850 22H 1py -0.005668 0.013692 0.002559 -0.000820 0.001826 0.002368 23H 1s -0.000894 -0.000530 0.001949 -0.000922 0.001841 0.000984 23H 2s 0.029127 -0.020479 -0.008290 0.008313 -0.006320 -0.005311 23H 3s -0.016722 0.015202 -0.027165 -0.013180 -0.008652 0.013506 23H 1pz -0.032665 0.024647 -0.002370 0.000394 0.001367 0.001332 23H 1px -0.012132 0.009532 0.000177 -0.000815 0.000617 0.001899 23H 1py -0.002468 0.002546 -0.002410 -0.001294 0.000825 0.001403 24H 1s 0.007610 -0.006643 0.001056 -0.000312 0.001246 -0.001603 24H 2s 0.058803 -0.045412 -0.011727 0.003056 -0.005876 -0.004000 24H 3s -0.009425 0.008316 -0.022186 -0.010369 -0.015222 0.002519 24H 1pz -0.018504 0.014897 -0.002677 0.000066 0.001242 0.001414 24H 1px -0.007576 0.006265 0.000420 -0.000990 -0.000166 0.000930 24H 1py -0.024299 0.018391 -0.001966 0.000318 0.000639 0.000463 25H 1s -0.019101 0.012856 0.003508 0.002153 -0.000009 0.000559 25H 2s -0.079977 0.067523 0.007638 -0.008828 0.008950 0.016793 25H 3s -0.062629 0.043052 -0.041117 -0.001835 -0.049401 -0.012721 25H 1pz -0.010220 0.006892 -0.003840 0.000587 -0.002539 -0.002175 25H 1px -0.035434 0.026879 0.003486 0.000194 0.003149 0.002966 25H 1py -0.008849 0.006075 -0.002053 0.000376 -0.000775 -0.001704 26O 1s -0.015562 -0.010283 -0.038679 -0.037249 -0.487584 0.312635 26O 2s -0.002294 -0.001756 0.047425 0.045825 0.602996 -0.387233 26O 3s 0.309948 0.213763 -0.044299 -0.046839 -0.648853 0.417110 26O 4s -0.948707 -0.640018 0.057365 0.069252 0.978260 -0.614426 26O 5s -0.364929 -0.526725 -0.079832 -0.048825 -0.202040 0.244931 26O 1pz -0.010530 -0.007214 0.000879 0.000148 0.001166 -0.000240 26O 1px -0.080632 -0.060062 0.000836 0.001791 0.028580 -0.016417 26O 1py -0.036329 -0.027002 0.000508 0.000575 0.011830 -0.006091 26O 2pz 0.091757 0.070219 -0.002453 -0.002697 -0.009307 0.003746 26O 2px 0.629170 0.464026 0.008009 -0.025924 -0.240764 0.126845 26O 2py 0.291488 0.216866 0.002427 -0.009503 -0.097997 0.048966 26O 3pz 0.108992 0.041711 -0.040391 0.047564 0.014928 0.017263 26O 3px 0.131402 0.125180 -0.060370 0.144976 -0.146688 0.030751 26O 3py 0.113666 0.075699 -0.045709 0.073911 -0.040149 0.078953 26O 1dz2 -0.013710 -0.009814 0.000653 0.000215 0.006323 -0.003931 26O 1dxz 0.009451 0.007913 0.001201 -0.003461 -0.000435 0.002071 26O 1dyz -0.003556 -0.002208 0.000327 0.000229 0.004321 -0.002321 26O 1dx2y2 0.008305 0.005929 -0.000882 0.000640 -0.004549 0.003365 26O 1dxy 0.013554 0.010096 -0.000178 -0.001364 -0.003061 0.002485 26O 2dz2 0.173702 0.125154 0.000478 -0.001675 -0.048748 0.025576 26O 2dxz -0.077556 -0.061281 -0.001617 0.010231 0.005409 -0.009428 26O 2dyz -0.011749 -0.011189 -0.000563 0.000477 -0.010783 0.005682 26O 2dx2y2 -0.180236 -0.129631 -0.001345 0.000074 0.051307 -0.029036 26O 2dxy -0.217773 -0.159818 -0.001577 0.005790 0.045820 -0.028205 26O 1f0 -0.019956 -0.015234 0.000716 -0.000836 0.002527 -0.000984 26O 1f+1 -0.071215 -0.051650 -0.000201 0.000500 0.009287 -0.005621 26O 1f-1 -0.034731 -0.025857 0.000612 -0.000212 0.003377 -0.002452 26O 1f+2 0.023303 0.017573 -0.000969 0.000410 -0.004558 0.001625 26O 1f-2 0.012516 0.009657 -0.000225 0.001456 0.000101 0.000328 26O 1f+3 -0.029404 -0.021093 -0.000506 0.000555 0.002392 -0.001308 26O 1f-3 -0.092338 -0.067268 0.000215 -0.000809 0.009852 -0.006208 27O 1s 0.004772 0.010054 -0.005405 -0.049311 -0.507193 0.718958 27O 2s 0.000690 0.001738 0.006631 0.060637 0.627233 -0.890490 27O 3s -0.094977 -0.210051 -0.004183 -0.059817 -0.674679 0.960358 27O 4s 0.292687 0.630029 0.005109 0.084303 1.013514 -1.426826 27O 5s 0.125118 0.530410 -0.078522 -0.103264 -0.193261 0.550603 27O 1pz 0.000352 -0.002675 0.000713 -0.000355 -0.002422 0.004363 27O 1px 0.026466 0.063288 -0.001092 0.001886 0.032013 -0.038453 27O 1py -0.005065 -0.013853 -0.000288 -0.001067 -0.004869 0.004181 27O 2pz 0.003120 0.012484 -0.004176 0.003089 0.022173 -0.033273 27O 2px -0.209155 -0.494361 0.021998 -0.020928 -0.267511 0.311190 27O 2py 0.049378 0.123388 -0.001815 0.006532 0.041437 -0.039146 27O 3pz -0.017442 -0.009575 -0.010301 -0.003790 0.034967 0.017150 27O 3px -0.060377 -0.135438 -0.043998 0.150222 -0.147440 0.140102 27O 3py 0.039457 0.055207 0.040004 -0.059865 0.005008 -0.099133 27O 1dz2 0.002292 0.005717 -0.000107 0.000795 0.002236 -0.003661 27O 1dxz 0.000130 -0.002422 0.000263 -0.001302 0.001372 -0.000687 27O 1dyz -0.002379 -0.005680 -0.000187 -0.001193 -0.004849 0.007790 27O 1dx2y2 -0.005158 -0.011968 -0.000540 -0.000139 -0.008153 0.012135 27O 1dxy 0.004046 0.008939 -0.000638 0.002240 0.000770 -0.002382 27O 2dz2 -0.049068 -0.115908 0.003818 -0.002189 -0.037979 0.046687 27O 2dxz -0.006317 -0.004209 0.002108 0.003448 -0.013094 0.012286 27O 2dyz 0.008638 0.019163 0.000550 0.002840 0.015277 -0.023352 27O 2dx2y2 0.080589 0.188668 -0.005237 0.000101 0.075820 -0.095615 27O 2dxy -0.044548 -0.103716 0.001070 -0.006081 -0.020077 0.028400 27O 1f0 -0.003677 -0.006963 0.000417 -0.000553 0.000043 0.001149 27O 1f+1 0.021834 0.052317 -0.000241 -0.000800 0.008311 -0.010601 27O 1f-1 -0.004632 -0.011415 -0.000149 0.000520 -0.001214 0.001577 27O 1f+2 0.002338 0.003291 -0.000768 0.000204 0.000599 -0.000937 27O 1f-2 -0.004497 -0.009895 -0.000266 -0.000608 -0.004157 0.004960 27O 1f+3 0.024661 0.059800 -0.000999 0.000305 0.010272 -0.013463 27O 1f-3 -0.019226 -0.044948 -0.000797 0.001379 -0.007559 0.008887 28O 1s -0.015378 -0.010372 -0.001965 0.046010 0.488368 -0.176411 28O 2s -0.002368 -0.001796 0.002418 -0.056561 -0.603957 0.218494 28O 3s 0.311164 0.217608 -0.000528 0.055052 0.650997 -0.236705 28O 4s -0.966460 -0.662366 0.001653 -0.078192 -0.984556 0.363039 28O 5s -0.385563 -0.556833 -0.057207 0.127329 0.175915 -0.152672 28O 1pz -0.056794 -0.041459 0.000284 -0.001289 -0.018674 0.004057 28O 1px 0.069252 0.052242 0.001557 0.001102 0.025636 -0.006824 28O 1py -0.007939 -0.005467 0.000235 -0.000878 -0.001603 -0.000417 28O 2pz 0.459788 0.342834 0.007915 0.011221 0.158575 -0.039878 28O 2px -0.538836 -0.401432 -0.018685 -0.013064 -0.216311 0.064974 28O 2py 0.074314 0.056021 -0.000559 0.004223 0.014022 0.001537 28O 3pz 0.214103 0.139196 -0.041137 -0.120262 0.071713 -0.013921 28O 3px -0.079021 -0.103721 0.033160 0.120164 -0.130098 0.047251 28O 3py 0.095232 0.041924 -0.021787 -0.041335 -0.002739 -0.047414 28O 1dz2 0.003331 0.003615 0.000626 0.001123 -0.001406 0.000374 28O 1dxz -0.020655 -0.015524 0.000040 -0.001204 -0.007134 0.002620 28O 1dyz -0.003636 -0.001710 0.000433 0.000343 -0.004240 0.003036 28O 1dx2y2 0.006800 0.004441 -0.000624 -0.001324 0.003877 -0.001136 28O 1dxy -0.009545 -0.007315 -0.000395 -0.001732 -0.002744 0.000978 28O 2dz2 -0.041660 -0.036117 0.000015 -0.002927 0.001728 -0.001336 28O 2dxz 0.297416 0.219054 0.004568 0.001398 0.073341 -0.021432 28O 2dyz -0.019805 -0.019085 -0.000281 -0.000950 0.008129 -0.008603 28O 2dx2y2 -0.157815 -0.112658 -0.003363 0.004599 -0.046324 0.015673 28O 2dxy 0.065750 0.049654 -0.000372 0.004107 0.013077 -0.004530 28O 1f0 -0.042120 -0.030368 -0.000438 -0.000048 -0.005458 0.002123 28O 1f+1 -0.061734 -0.045914 0.000536 0.001390 -0.007740 0.001496 28O 1f-1 -0.001265 -0.001397 -0.000012 -0.001128 -0.001266 0.001050 28O 1f+2 0.092367 0.067460 0.000498 -0.000526 0.010483 -0.002873 28O 1f-2 -0.021378 -0.016097 0.000767 0.001047 -0.001132 0.000395 28O 1f+3 0.040330 0.028935 0.000951 -0.000034 0.003917 -0.000516 28O 1f-3 -0.021898 -0.016158 0.000688 0.000394 -0.004646 0.002016 29O 1s -0.000123 -0.000118 -0.976796 0.980725 -0.083146 -0.002627 29O 2s 0.000063 0.000023 1.197686 -1.206874 0.102874 0.003235 29O 3s -0.001233 0.000811 -1.169854 1.214888 -0.111837 -0.002238 29O 4s 0.003184 -0.002609 1.405443 -1.534598 0.190123 -0.000801 29O 5s 0.018769 0.007418 -0.847336 1.093036 -0.292453 0.001237 29O 1pz 0.000765 -0.000068 0.004131 -0.001557 0.001345 0.000980 29O 1px -0.000335 -0.000072 -0.005977 -0.000555 -0.005035 0.001629 29O 1py 0.000745 -0.000051 0.019344 -0.018218 -0.000589 -0.000374 29O 2pz -0.005860 -0.009104 -0.028102 0.017462 -0.001813 -0.004272 29O 2px 0.002902 -0.002788 0.046103 -0.017903 0.011110 -0.006734 29O 2py -0.006029 0.000567 -0.119506 0.115342 -0.000991 0.001426 29O 3pz 0.001990 -0.024010 -0.028032 0.064132 -0.028004 -0.021904 29O 3px -0.001772 -0.010025 0.116087 -0.216739 0.083045 -0.011784 29O 3py -0.005974 0.001642 0.085697 -0.101797 0.022436 0.020437 29O 1dz2 -0.000504 0.000393 -0.005610 0.005171 -0.001563 0.001000 29O 1dxz -0.000195 0.000095 -0.005712 0.005519 -0.002773 -0.001154 29O 1dyz -0.000028 0.000292 -0.001316 0.001303 -0.000289 -0.000897 29O 1dx2y2 -0.000116 0.000274 0.005753 -0.006007 0.003892 -0.000929 29O 1dxy 0.000059 0.000384 0.005612 -0.005224 0.000881 0.000993 29O 2dz2 0.003127 0.002072 0.046521 -0.044686 0.006375 -0.002303 29O 2dxz 0.001671 -0.002299 0.036854 -0.035618 0.009394 0.001945 29O 2dyz 0.001130 0.005101 0.007907 -0.007742 0.000671 0.004211 29O 2dx2y2 -0.000339 -0.001121 -0.018061 0.018191 -0.011452 0.002640 29O 2dxy -0.000670 0.001392 -0.042745 0.040702 -0.004320 -0.001541 29O 1f0 -0.000382 -0.000814 -0.020816 0.020913 -0.000923 0.000163 29O 1f+1 0.000026 -0.000999 0.008738 -0.009036 0.000570 0.000558 29O 1f-1 -0.000791 -0.000682 -0.022011 0.021148 -0.001098 -0.000467 29O 1f+2 0.000302 0.000468 0.008615 -0.009234 -0.000125 -0.000642 29O 1f-2 -0.000396 0.001060 -0.014342 0.013512 -0.000941 0.000823 29O 1f+3 0.000258 -0.000568 0.005678 -0.006282 -0.000632 0.000035 29O 1f-3 0.000187 -0.000589 0.007209 -0.007469 0.000311 -0.000732 30O 1s 0.004571 0.010081 -0.030751 0.034725 0.481936 -0.569503 30O 2s 0.000707 0.001748 0.037696 -0.042717 -0.595997 0.705363 30O 3s -0.092585 -0.211069 -0.034383 0.043780 0.642003 -0.762403 30O 4s 0.287684 0.638249 0.045714 -0.066529 -0.971994 1.152586 30O 5s 0.115697 0.544932 -0.104246 0.042576 0.198293 -0.484668 30O 1pz 0.014408 0.031714 0.000648 -0.000922 -0.014368 0.012533 30O 1px -0.018738 -0.046829 0.000523 0.001328 0.023271 -0.022950 30O 1py -0.013122 -0.032940 -0.000743 0.001084 0.014207 -0.011157 30O 2pz -0.107931 -0.255893 0.005241 0.015070 0.121205 -0.110099 30O 2px 0.145068 0.353139 -0.013140 -0.020329 -0.195907 0.196778 30O 2py 0.111694 0.273690 -0.004668 -0.014616 -0.121061 0.102407 30O 3pz -0.049529 -0.095982 -0.043491 -0.100391 0.065072 -0.064160 30O 3px 0.014251 0.085439 0.023823 0.091635 -0.119826 0.060762 30O 3py 0.060719 0.114899 0.047154 0.100627 -0.054355 0.110850 30O 1dz2 -0.000282 -0.001821 0.000825 0.002121 0.000484 -0.002083 30O 1dxz 0.003327 0.009563 0.000166 -0.000267 -0.005128 0.006438 30O 1dyz 0.001413 0.004604 -0.000767 -0.001397 0.001779 -0.003089 30O 1dx2y2 0.000157 0.000826 -0.001363 -0.002089 0.002860 -0.003191 30O 1dxy -0.006374 -0.013972 0.000299 0.002093 0.006956 -0.009463 30O 2dz2 -0.010736 -0.020302 -0.000269 -0.005269 0.008878 -0.004412 30O 2dxz -0.059012 -0.145675 0.003291 0.002466 0.052095 -0.053878 30O 2dyz -0.041303 -0.104507 0.003936 0.005896 0.018707 -0.012491 30O 2dx2y2 0.013810 0.030455 0.000354 0.005524 -0.025742 0.028541 30O 2dxy 0.071773 0.166512 -0.004119 -0.007201 -0.057578 0.063160 30O 1f0 0.015148 0.035338 -0.000784 0.000474 -0.004740 0.003905 30O 1f+1 0.003566 0.010992 0.000462 0.000060 -0.003483 0.003201 30O 1f-1 0.001308 0.004198 0.000292 0.000823 0.000176 -0.001061 30O 1f+2 -0.008838 -0.022112 0.000370 0.001055 0.003670 -0.004712 30O 1f-2 -0.025905 -0.063203 -0.000397 -0.001136 0.008725 -0.008042 30O 1f+3 0.008854 0.020504 0.001037 0.000855 -0.004458 0.004481 30O 1f-3 -0.020368 -0.047655 0.000286 0.000468 0.008916 -0.009351 31O 1s -0.004390 0.010092 -0.030245 -0.035651 -0.478809 -0.571355 31O 2s -0.000679 0.001750 0.037077 0.043855 0.592130 0.707657 31O 3s 0.088913 -0.211311 -0.033832 -0.044885 -0.637922 -0.764889 31O 4s -0.276216 0.639149 0.045123 0.068073 0.966157 1.156382 31O 5s -0.111731 0.544684 -0.101611 -0.046209 -0.195743 -0.486786 31O 1pz 0.013867 -0.031761 -0.000637 -0.000941 -0.014290 -0.012579 31O 1px -0.018019 0.046892 -0.000537 0.001350 0.023137 0.023036 31O 1py -0.012557 0.032974 0.000745 0.001088 0.014125 0.011171 31O 2pz -0.103707 0.256238 -0.005173 0.015054 0.120655 0.110457 31O 2px 0.139426 -0.353585 0.013035 -0.020331 -0.194946 -0.197434 31O 2py 0.107148 -0.273914 0.004525 -0.014520 -0.120449 -0.102610 31O 3pz -0.047722 0.096419 0.044280 -0.101184 0.065204 0.064211 31O 3px 0.013473 -0.085358 -0.024774 0.092470 -0.119864 -0.061082 31O 3py 0.058156 -0.115253 -0.047767 0.101059 -0.054039 -0.110631 31O 1dz2 0.000260 -0.001817 0.000837 -0.002136 -0.000476 -0.002080 31O 1dxz -0.003166 0.009587 0.000195 0.000239 0.005098 0.006436 31O 1dyz -0.001353 0.004602 -0.000756 0.001363 -0.001782 -0.003115 31O 1dx2y2 -0.000163 0.000816 -0.001368 0.002088 -0.002858 -0.003198 31O 1dxy 0.006142 -0.013997 0.000277 -0.002076 -0.006912 -0.009461 31O 2dz2 0.010363 -0.020291 -0.000312 0.005309 -0.008840 -0.004442 31O 2dxz 0.056585 -0.145894 0.003156 -0.002341 -0.051866 -0.053980 31O 2dyz 0.039660 -0.104576 0.003859 -0.005749 -0.018583 -0.012484 31O 2dx2y2 -0.013222 0.030554 0.000378 -0.005512 0.025671 0.028622 31O 2dxy -0.068981 0.166671 -0.003993 0.007105 0.057272 0.063229 31O 1f0 0.014559 -0.035369 0.000781 0.000478 -0.004704 -0.003903 31O 1f+1 0.003400 -0.011032 -0.000465 0.000060 -0.003475 -0.003220 31O 1f-1 0.001250 -0.004222 -0.000298 0.000833 0.000170 0.001061 31O 1f+2 -0.008470 0.022149 -0.000374 0.001057 0.003648 0.004727 31O 1f-2 -0.024868 0.063263 0.000405 -0.001146 0.008677 0.008068 31O 1f+3 0.008521 -0.020503 -0.001041 0.000849 -0.004436 -0.004504 31O 1f-3 -0.019575 0.047698 -0.000285 0.000470 0.008869 0.009385 32O 1s 0.000137 -0.000134 -0.975567 -0.982014 0.082729 -0.000135 32O 2s -0.000066 0.000028 1.196178 1.208459 -0.102358 0.000155 32O 3s 0.001129 0.000822 -1.168364 -1.216488 0.111326 0.000667 32O 4s -0.002824 -0.002685 1.403624 1.536601 -0.189510 -0.004479 32O 5s -0.019669 0.009086 -0.846193 -1.094132 0.291859 0.008850 32O 1pz 0.000780 0.000061 -0.003658 -0.001139 0.001327 -0.000995 32O 1px -0.000385 0.000080 0.006148 -0.000396 -0.005058 -0.001612 32O 1py 0.000767 0.000042 -0.019367 -0.018298 -0.000589 0.000330 32O 2pz -0.005866 0.009125 0.025064 0.014637 -0.001637 0.004572 32O 2px 0.003069 0.002540 -0.047152 -0.019001 0.011257 0.006250 32O 2py -0.006150 -0.000120 0.119641 0.115849 -0.001010 -0.000761 32O 3pz 0.002387 0.023965 0.029083 0.065119 -0.027972 0.022014 32O 3px -0.002207 0.009795 -0.115390 -0.216564 0.082934 0.012404 32O 3py -0.005915 -0.000340 -0.085867 -0.102115 0.022365 -0.018595 32O 1dz2 0.000518 0.000477 -0.005607 -0.005178 0.001561 0.000946 32O 1dxz 0.000203 0.000109 -0.005750 -0.005575 0.002775 -0.001189 32O 1dyz 0.000055 0.000279 -0.001416 -0.001371 0.000265 -0.000913 32O 1dx2y2 0.000087 0.000342 0.005714 0.005990 -0.003893 -0.000940 32O 1dxy -0.000063 0.000407 0.005573 0.005209 -0.000901 0.001020 32O 2dz2 -0.003132 0.001725 0.046411 0.044681 -0.006365 -0.002016 32O 2dxz -0.001663 -0.002350 0.037278 0.036156 -0.009451 0.002149 32O 2dyz -0.001276 0.005183 0.009326 0.009053 -0.000636 0.004330 32O 2dx2y2 0.000423 -0.001434 -0.017751 -0.017958 0.011438 0.002547 32O 2dxy 0.000668 0.001164 -0.042203 -0.040330 0.004367 -0.001834 32O 1f0 -0.000330 0.000836 0.019435 0.019618 -0.000819 -0.000157 32O 1f+1 0.000053 0.000970 -0.009702 -0.010009 0.000650 -0.000516 32O 1f-1 -0.000801 0.000729 0.022803 0.021986 -0.001165 0.000561 32O 1f+2 0.000331 -0.000489 -0.009713 -0.010317 -0.000065 0.000622 32O 1f-2 -0.000405 -0.001008 0.013891 0.013108 -0.000899 -0.000769 32O 1f+3 0.000232 0.000538 -0.005178 -0.005823 -0.000652 -0.000122 32O 1f-3 0.000173 0.000614 -0.006990 -0.007275 0.000282 0.000723 33O 1s 0.015480 -0.010437 -0.001361 -0.047204 -0.485812 -0.178343 33O 2s 0.002383 -0.001806 0.001678 0.058030 0.600795 0.220888 33O 3s -0.313238 0.218967 0.000188 -0.056544 -0.647633 -0.239330 33O 4s 0.973326 -0.666793 0.000790 0.080259 0.979736 0.366997 33O 5s 0.387339 -0.558952 -0.057049 -0.127546 -0.174556 -0.153301 33O 1pz -0.057100 0.041652 -0.000246 -0.001332 -0.018571 -0.004149 33O 1px 0.069728 -0.052585 -0.001592 0.001150 0.025526 0.006956 33O 1py -0.008082 0.005559 -0.000233 -0.000896 -0.001621 0.000419 33O 2pz 0.462306 -0.344450 -0.008095 0.011539 0.157743 0.040560 33O 2px -0.542786 0.404203 0.018889 -0.013439 -0.215521 -0.065939 33O 2py 0.075538 -0.056887 0.000540 0.004339 0.014167 -0.001468 33O 3pz 0.216299 -0.140658 0.041119 -0.119944 0.070911 0.014046 33O 3px -0.080295 0.104409 -0.033250 0.119724 -0.129773 -0.047733 33O 3py 0.096728 -0.042993 0.021723 -0.041433 -0.003042 0.047645 33O 1dz2 -0.003325 0.003598 0.000630 -0.001117 0.001405 0.000364 33O 1dxz 0.020775 -0.015610 0.000017 0.001218 0.007072 0.002637 33O 1dyz 0.003637 -0.001708 0.000436 -0.000341 0.004232 0.003045 33O 1dx2y2 -0.006896 0.004499 -0.000609 0.001314 -0.003878 -0.001162 33O 1dxy 0.009647 -0.007406 -0.000397 0.001728 0.002739 0.000985 33O 2dz2 0.041424 -0.035895 0.000011 0.002908 -0.001834 -0.001299 33O 2dxz -0.299171 0.220246 0.004658 -0.001518 -0.072909 -0.021708 33O 2dyz 0.020214 -0.019397 -0.000299 0.000955 -0.008085 -0.008578 33O 2dx2y2 0.159150 -0.113560 -0.003427 -0.004509 0.046219 0.015903 33O 2dxy -0.066673 0.050374 -0.000352 -0.004115 -0.013106 -0.004606 33O 1f0 -0.042459 0.030606 0.000443 -0.000060 -0.005439 -0.002152 33O 1f+1 -0.061848 0.045983 -0.000531 0.001385 -0.007679 -0.001528 33O 1f-1 -0.001248 0.001377 0.000006 -0.001142 -0.001262 -0.001043 33O 1f+2 0.092930 -0.067849 -0.000507 -0.000503 0.010428 0.002926 33O 1f-2 -0.021681 0.016325 -0.000755 0.001043 -0.001137 -0.000409 33O 1f+3 0.040648 -0.029161 -0.000960 -0.000030 0.003905 0.000544 33O 1f-3 -0.022221 0.016398 -0.000684 0.000386 -0.004648 -0.002041 34O 1s -0.004587 0.010067 -0.005629 0.050708 0.505595 0.722527 34O 2s -0.000663 0.001740 0.006904 -0.062357 -0.625256 -0.894910 34O 3s 0.091267 -0.210318 -0.004428 0.061605 0.672553 0.965117 34O 4s -0.281169 0.630866 0.005378 -0.086779 -1.010254 -1.433725 34O 5s -0.120903 0.530120 -0.078966 0.101955 0.192341 0.552865 34O 1pz 0.000371 0.002676 -0.000709 -0.000352 -0.002424 -0.004393 34O 1px 0.025438 -0.063344 0.001095 0.001991 0.031933 0.038670 34O 1py -0.004818 0.013899 0.000291 -0.001090 -0.004878 -0.004210 34O 2pz 0.002984 -0.012568 0.004176 0.003098 0.022160 0.033482 34O 2px -0.201020 0.494822 -0.022034 -0.021828 -0.266732 -0.312786 34O 2py 0.047372 -0.123709 0.001790 0.006746 0.041444 0.039435 34O 3pz -0.016514 0.009589 0.010261 -0.003210 0.034797 -0.016577 34O 3px -0.057701 0.135411 0.043560 0.149670 -0.147047 -0.140257 34O 3py 0.037605 -0.055154 -0.039644 -0.060053 0.004721 0.098830 34O 1dz2 -0.002188 0.005732 -0.000113 -0.000806 -0.002233 -0.003665 34O 1dxz -0.000153 -0.002412 0.000258 0.001300 -0.001374 -0.000690 34O 1dyz 0.002281 -0.005679 -0.000193 0.001192 0.004823 0.007796 34O 1dx2y2 0.004928 -0.011961 -0.000517 0.000168 0.008125 0.012164 34O 1dxy -0.003928 0.008957 -0.000633 -0.002244 -0.000769 -0.002396 34O 2dz2 0.047115 -0.116051 0.003844 0.002326 0.037882 0.046886 34O 2dxz 0.006211 -0.004332 0.002127 -0.003402 0.013091 0.012375 34O 2dyz -0.008283 0.019186 0.000561 -0.002840 -0.015200 -0.023365 34O 2dx2y2 -0.077306 0.188777 -0.005327 -0.000361 -0.075573 -0.095972 34O 2dxy 0.042985 -0.103925 0.001062 0.006173 0.020052 0.028592 34O 1f0 -0.003575 0.007016 -0.000419 -0.000565 0.000042 -0.001163 34O 1f+1 0.020963 -0.052365 0.000248 -0.000773 0.008293 0.010659 34O 1f-1 -0.004450 0.011434 0.000145 0.000515 -0.001212 -0.001585 34O 1f+2 0.002292 -0.003332 0.000770 0.000211 0.000604 0.000955 34O 1f-2 -0.004346 0.009926 0.000270 -0.000623 -0.004135 -0.004989 34O 1f+3 0.023650 -0.059837 0.001000 0.000337 0.010244 0.013529 34O 1f-3 -0.018512 0.045031 0.000791 0.001357 -0.007544 -0.008945 35O 1s 0.015666 -0.010355 -0.038248 0.038426 0.486516 0.312413 35O 2s 0.002306 -0.001765 0.046897 -0.047272 -0.601675 -0.386959 35O 3s -0.311921 0.215121 -0.043880 0.048230 0.647446 0.416899 35O 4s 0.955027 -0.644223 0.057083 -0.071038 -0.976071 -0.614524 35O 5s 0.365041 -0.527621 -0.077091 0.052925 0.200226 0.244046 35O 1pz -0.010632 0.007250 -0.000859 0.000147 0.001180 0.000249 35O 1px -0.081063 0.060369 -0.000831 0.001820 0.028541 0.016424 35O 1py -0.036633 0.027221 -0.000530 0.000569 0.011834 0.006096 35O 2pz 0.092331 -0.070479 0.002423 -0.002610 -0.009374 -0.003726 35O 2px 0.632658 -0.466439 -0.007678 -0.025860 -0.240417 -0.127063 35O 2py 0.293846 -0.218557 -0.002208 -0.009406 -0.098034 -0.049106 35O 3pz 0.109600 -0.041875 0.040613 0.047389 0.015366 -0.016856 35O 3px 0.132277 -0.125635 0.061352 0.146142 -0.146598 -0.031746 35O 3py 0.114677 -0.075951 0.046047 0.074144 -0.039889 -0.079092 35O 1dz2 0.013764 -0.009841 0.000671 -0.000210 -0.006289 -0.003934 35O 1dxz -0.009491 0.007941 0.001181 0.003453 0.000430 0.002032 35O 1dyz 0.003611 -0.002226 0.000333 -0.000239 -0.004314 -0.002341 35O 1dx2y2 -0.008358 0.005945 -0.000902 -0.000666 0.004554 0.003366 35O 1dxy -0.013662 0.010170 -0.000199 0.001347 0.003079 0.002473 35O 2dz2 -0.174693 0.125787 0.000357 0.001626 0.048620 0.025623 35O 2dxz 0.077837 -0.061476 -0.001524 -0.010154 -0.005384 -0.009284 35O 2dyz 0.011663 -0.011210 -0.000562 -0.000422 0.010759 0.005755 35O 2dx2y2 0.181095 -0.130138 -0.001190 0.000042 -0.051235 -0.029067 35O 2dxy 0.219377 -0.160951 -0.001425 -0.005694 -0.045878 -0.028232 35O 1f0 -0.019997 0.015263 -0.000721 -0.000845 0.002522 0.000984 35O 1f+1 -0.071592 0.051909 0.000191 0.000504 0.009264 0.005623 35O 1f-1 -0.034973 0.026030 -0.000609 -0.000211 0.003373 0.002458 35O 1f+2 0.023412 -0.017654 0.000980 0.000413 -0.004541 -0.001639 35O 1f-2 0.012537 -0.009673 0.000230 0.001467 0.000104 -0.000315 35O 1f+3 -0.029430 0.021100 0.000496 0.000552 0.002379 0.001289 35O 1f-3 -0.092977 0.067726 -0.000223 -0.000809 0.009860 0.006215 762 763 764 765 766 767 43.92141 43.94262 43.96681 44.15193 44.15831 44.17866 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s -0.010128 0.082191 -0.000165 -0.002371 -0.002480 -0.000727 0Rh 2s -0.058259 0.472772 -0.000950 -0.013652 -0.014286 -0.004190 0Rh 3s -0.099319 0.805987 -0.001617 -0.023260 -0.024329 -0.007136 0Rh 4s 0.171667 -1.392800 0.002805 0.040227 0.042152 0.012360 0Rh 5s -0.089017 0.719646 -0.001480 -0.020754 -0.022167 -0.006467 0Rh 6s 0.042240 -0.333266 0.000661 0.009464 0.011164 0.003145 0Rh 7s -0.006764 0.019603 -0.001181 -0.009134 -0.022785 -0.001305 0Rh 8s 0.014577 -0.065574 -0.000997 0.021254 0.012227 0.002291 0Rh 1pz 0.000639 0.000057 0.000009 -0.000947 0.000903 -0.000023 0Rh 1px -0.000035 0.000569 -0.000009 -0.000466 0.000011 -0.000002 0Rh 1py 0.000891 0.000114 0.000013 0.000844 0.001033 -0.000029 0Rh 2pz -0.002947 -0.000255 -0.000043 0.004376 -0.004179 0.000107 0Rh 2px 0.000168 -0.002649 0.000043 0.002157 -0.000044 0.000011 0Rh 2py -0.004103 -0.000529 -0.000062 -0.003903 -0.004774 0.000133 0Rh 3pz 0.013444 0.000808 0.000259 -0.020004 0.019270 -0.000483 0Rh 3px -0.000995 0.013192 -0.000206 -0.009967 -0.000014 -0.000053 0Rh 3py 0.018605 0.002587 0.000314 0.017905 0.021903 -0.000622 0Rh 4pz -0.022850 0.000445 -0.000536 0.032743 -0.032382 0.001019 0Rh 4px 0.002830 -0.028704 0.000476 0.016803 0.001283 0.000143 0Rh 4py -0.031068 -0.005560 -0.000638 -0.029591 -0.036241 0.001215 0Rh 5pz 0.014831 -0.005956 0.000144 -0.012412 0.015620 -0.001540 0Rh 5px -0.005511 0.038679 -0.000837 -0.008373 -0.005520 -0.000357 0Rh 5py 0.018513 0.007648 0.000592 0.012375 0.015391 -0.001323 0Rh 6pz -0.264451 -0.001582 -0.002784 0.323461 -0.347709 -0.005069 0Rh 6px 0.014866 -0.212223 0.005247 0.184768 0.023843 -0.000414 0Rh 6py -0.374499 -0.045812 -0.001491 -0.310192 -0.369063 -0.000737 0Rh 1dz2 -0.000185 -0.000131 -0.000858 0.000039 -0.000258 0.000967 0Rh 1dxz 0.000100 -0.000170 0.000074 -0.000345 0.000175 0.000025 0Rh 1dyz -0.000012 0.000052 -0.002055 -0.000203 0.000085 0.002499 0Rh 1dx2y2 0.000051 0.000378 -0.000325 -0.000196 0.000199 0.000430 0Rh 1dxy 0.000197 -0.000073 -0.000768 0.000294 0.000328 0.000982 0Rh 2dz2 0.000651 0.000274 0.003225 -0.000105 0.000848 -0.002946 0Rh 2dxz -0.000327 0.000333 -0.000274 0.001129 -0.000545 -0.000109 0Rh 2dyz 0.000057 -0.000204 0.007748 0.000671 -0.000295 -0.007654 0Rh 2dx2y2 -0.000209 -0.000904 0.001216 0.000626 -0.000683 -0.001332 0Rh 2dxy -0.000699 0.000391 0.002910 -0.000956 -0.001066 -0.003014 0Rh 3dz2 -0.001511 0.000404 -0.008554 0.000056 -0.001624 0.004322 0Rh 3dxz 0.000630 0.000666 0.000704 -0.002109 0.000825 0.000362 0Rh 3dyz -0.000228 0.000618 -0.020663 -0.001282 0.000646 0.011505 0Rh 3dx2y2 0.000633 -0.000191 -0.003190 -0.001063 0.001504 0.002101 0Rh 3dxy 0.001656 -0.001603 -0.007826 0.001746 0.001933 0.004564 0Rh 4dz2 0.003614 -0.004711 0.023406 0.001050 0.002028 -0.001260 0Rh 4dxz -0.001228 -0.006835 -0.001828 0.002095 0.000726 -0.001130 0Rh 4dyz 0.001052 -0.001931 0.056888 0.001387 -0.001351 -0.004815 0Rh 4dx2y2 -0.001921 0.008713 0.008588 0.000311 -0.003363 -0.001373 0Rh 4dxy -0.004274 0.006122 0.021748 -0.001467 -0.001380 -0.002091 0Rh 5dz2 -0.009609 0.001282 -0.046221 -0.012947 0.006300 0.034818 0Rh 5dxz 0.008447 0.004377 0.003241 0.013271 -0.020855 -0.000949 0Rh 5dyz -0.004849 0.002163 -0.112376 0.006697 0.006665 0.089263 0Rh 5dx2y2 0.001373 -0.001492 -0.016754 0.012707 0.010694 0.014369 0Rh 5dxy 0.015242 -0.005840 -0.042651 -0.013609 -0.018682 0.035561 0Rh 1f0 0.000499 0.001245 0.000087 -0.000322 -0.000938 -0.000931 0Rh 1f+1 0.000974 -0.000740 0.000119 0.001489 -0.001562 0.001283 0Rh 1f-1 0.000888 -0.000147 0.000227 0.000112 -0.002172 -0.001230 0Rh 1f+2 -0.000881 -0.001862 -0.000172 -0.001937 0.001659 -0.000868 0Rh 1f-2 0.000757 -0.000697 -0.000013 -0.001765 -0.001339 0.002615 0Rh 1f+3 -0.000300 -0.001677 0.000082 0.002108 0.000363 -0.000309 0Rh 1f-3 0.001588 -0.001097 0.000088 -0.001325 -0.001688 -0.001567 1Rh 1s -0.010152 0.082216 -0.000263 0.002027 0.002581 -0.000814 1Rh 2s -0.058396 0.472920 -0.001512 0.011672 0.014870 -0.004689 1Rh 3s -0.099554 0.806240 -0.002580 0.019886 0.025324 -0.007985 1Rh 4s 0.172072 -1.393237 0.004449 -0.034395 -0.043874 0.013831 1Rh 5s -0.089221 0.719874 -0.002264 0.017750 0.023058 -0.007241 1Rh 6s 0.042313 -0.333402 0.001056 -0.008038 -0.011577 0.003529 1Rh 7s -0.006845 0.019469 0.001019 0.009147 0.022485 -0.001765 1Rh 8s 0.013328 -0.066053 0.001610 -0.022581 -0.011282 0.002744 1Rh 1pz -0.000640 -0.000059 0.000012 -0.000949 0.000905 0.000015 1Rh 1px 0.000037 -0.000566 -0.000006 -0.000465 0.000011 0.000004 1Rh 1py -0.000891 -0.000115 0.000017 0.000843 0.001033 0.000010 1Rh 2pz 0.002954 0.000260 -0.000060 0.004384 -0.004189 -0.000067 1Rh 2px -0.000176 0.002638 0.000027 0.002154 -0.000047 -0.000019 1Rh 2py 0.004105 0.000533 -0.000077 -0.003897 -0.004778 -0.000047 1Rh 3pz -0.013480 -0.000836 0.000339 -0.020046 0.019314 0.000300 1Rh 3px 0.001036 -0.013133 -0.000128 -0.009947 0.000002 0.000093 1Rh 3py -0.018616 -0.002606 0.000389 0.017874 0.021927 0.000227 1Rh 4pz 0.022935 -0.000380 -0.000669 0.032839 -0.032461 -0.000704 1Rh 4px -0.002919 0.028573 0.000316 0.016743 0.001258 -0.000224 1Rh 4py 0.031097 0.005594 -0.000793 -0.029528 -0.036305 -0.000557 1Rh 5pz -0.014946 0.005855 0.000224 -0.012551 0.015686 0.001368 1Rh 5px 0.005650 -0.038512 -0.000651 -0.008226 -0.005538 0.000448 1Rh 5py -0.018554 -0.007676 0.000767 0.012286 0.015487 0.001035 1Rh 6pz 0.264868 0.001689 -0.004282 0.324257 -0.349370 0.008459 1Rh 6px -0.016335 0.210999 0.003866 0.184181 0.023857 -0.000826 1Rh 6py 0.374691 0.046799 -0.002193 -0.307851 -0.369411 0.007372 1Rh 1dz2 -0.000186 -0.000129 0.000858 -0.000041 0.000278 0.000965 1Rh 1dxz 0.000102 -0.000172 -0.000073 0.000334 -0.000177 0.000024 1Rh 1dyz -0.000008 0.000064 0.002054 0.000219 -0.000055 0.002500 1Rh 1dx2y2 0.000054 0.000384 0.000320 0.000208 -0.000196 0.000431 1Rh 1dxy 0.000197 -0.000069 0.000771 -0.000294 -0.000313 0.000990 1Rh 2dz2 0.000653 0.000266 -0.003225 0.000113 -0.000914 -0.002937 1Rh 2dxz -0.000333 0.000340 0.000271 -0.001093 0.000553 -0.000104 1Rh 2dyz 0.000042 -0.000250 -0.007745 -0.000721 0.000204 -0.007659 1Rh 2dx2y2 -0.000218 -0.000926 -0.001201 -0.000663 0.000675 -0.001337 1Rh 2dxy -0.000699 0.000374 -0.002922 0.000957 0.001020 -0.003040 1Rh 3dz2 -0.001514 0.000431 0.008549 -0.000075 0.001736 0.004304 1Rh 3dxz 0.000643 0.000647 -0.000706 0.002039 -0.000841 0.000349 1Rh 3dyz -0.000190 0.000742 0.020657 0.001367 -0.000514 0.011515 1Rh 3dx2y2 0.000657 -0.000134 0.003169 0.001135 -0.001500 0.002115 1Rh 3dxy 0.001661 -0.001556 0.007855 -0.001755 -0.001862 0.004613 1Rh 4dz2 0.003613 -0.004802 -0.023379 -0.001006 -0.002141 -0.001235 1Rh 4dxz -0.001244 -0.006781 0.001867 -0.001979 -0.000700 -0.001084 1Rh 4dyz 0.000960 -0.002281 -0.056885 -0.001474 0.001316 -0.004832 1Rh 4dx2y2 -0.001993 0.008568 -0.008588 -0.000436 0.003405 -0.001426 1Rh 4dxy -0.004302 0.005976 -0.021817 0.001501 0.001339 -0.002142 1Rh 5dz2 -0.009681 0.001437 0.046274 0.012941 -0.005610 0.034839 1Rh 5dxz 0.008440 0.004228 -0.003265 -0.013642 0.020795 -0.001254 1Rh 5dyz -0.004755 0.002871 0.112429 -0.006143 -0.005480 0.089442 1Rh 5dx2y2 0.001592 -0.001127 0.016617 -0.012202 -0.010680 0.014583 1Rh 5dxy 0.015295 -0.005516 0.042734 0.013812 0.019171 0.035294 1Rh 1f0 -0.000498 -0.001244 0.000099 -0.000331 -0.000915 0.000946 1Rh 1f+1 -0.000968 0.000739 0.000113 0.001501 -0.001583 -0.001271 1Rh 1f-1 -0.000893 0.000158 0.000229 0.000123 -0.002156 0.001255 1Rh 1f+2 0.000893 0.001852 -0.000193 -0.001908 0.001662 0.000851 1Rh 1f-2 -0.000758 0.000689 -0.000021 -0.001759 -0.001371 -0.002587 1Rh 1f+3 0.000308 0.001682 0.000063 0.002129 0.000356 0.000292 1Rh 1f-3 -0.001587 0.001096 0.000089 -0.001319 -0.001669 0.001597 2C 1s -0.001062 0.006428 -0.000615 0.002270 -0.008015 -0.007733 2C 2s 0.002075 -0.012647 0.001196 -0.004520 0.016025 0.015481 2C 3s -0.006142 0.005282 0.000911 0.007400 -0.030211 -0.051973 2C 4s -0.008124 0.295685 -0.014889 0.074493 -0.239736 -0.019853 2C 5s 0.004782 -0.834212 -0.070831 -0.157356 0.424752 0.994617 2C 1pz -0.000806 0.011554 0.000369 0.005112 -0.013575 -0.015199 2C 1px -0.001779 0.007188 -0.002188 0.003453 -0.009155 -0.007590 2C 1py -0.000578 0.007297 -0.000090 0.000546 -0.009202 -0.009318 2C 2pz -0.012981 0.156886 0.000468 0.033315 -0.171501 -0.048573 2C 2px -0.016654 -0.027428 -0.007088 -0.024599 0.040424 0.040911 2C 2py -0.019809 0.104077 -0.007987 0.064163 -0.104277 -0.032725 2C 3pz 0.036456 -0.164070 0.017963 -0.005986 0.078977 0.208397 2C 3px -0.079834 -0.065242 -0.094598 0.001128 0.068278 0.064510 2C 3py -0.006057 -0.113126 -0.022317 -0.052858 0.031337 0.130843 2C 1dz2 -0.002712 0.003411 -0.001821 -0.000993 -0.003653 -0.001154 2C 1dxz 0.001928 0.001844 0.001484 0.000364 -0.000881 0.000226 2C 1dyz -0.000586 0.008678 0.000237 0.003790 -0.008697 -0.004361 2C 1dx2y2 0.001735 0.001159 0.001421 -0.000457 -0.003042 -0.003401 2C 1dxy 0.001665 0.004412 0.001196 -0.000093 -0.006058 -0.003923 2C 2dz2 0.007805 0.044191 0.011415 0.009523 -0.047943 -0.022179 2C 2dxz -0.027930 0.046726 -0.021105 0.020807 -0.065987 -0.038984 2C 2dyz -0.002147 0.027004 0.004593 0.009878 -0.017906 -0.004149 2C 2dx2y2 0.004671 -0.059476 0.001558 -0.026309 0.080573 0.050584 2C 2dxy -0.013982 -0.010659 -0.011142 -0.007881 0.015365 0.011136 2C 1f0 -0.001773 0.002681 -0.000556 -0.001866 -0.003417 -0.000589 2C 1f+1 0.000838 0.010393 0.000786 0.001586 -0.013434 -0.006520 2C 1f-1 -0.001038 0.004476 -0.000500 0.000311 -0.000485 -0.000512 2C 1f+2 0.000542 -0.005570 0.000336 -0.003174 0.004040 0.001689 2C 1f-2 0.002837 0.004643 -0.000280 0.001503 -0.003450 -0.001985 2C 1f+3 0.000895 0.001113 0.001229 0.000894 -0.000926 -0.001006 2C 1f-3 -0.000487 0.004858 0.000465 0.003026 -0.006248 -0.002938 3C 1s -0.000611 0.006487 0.000319 0.007948 0.002169 0.007635 3C 2s 0.001205 -0.012766 -0.000616 -0.015899 -0.004314 -0.015291 3C 3s 0.001451 0.006459 -0.000642 0.030634 0.005698 0.052173 3C 4s -0.043500 0.291305 0.002913 0.234174 0.083508 0.014358 3C 5s 0.121566 -0.833081 0.058281 -0.428978 -0.175597 -0.986900 3C 1pz -0.000656 0.003697 -0.000859 0.004465 -0.000986 0.005683 3C 1px -0.000071 0.007337 0.001659 0.009152 0.002287 0.008164 3C 1py 0.001738 -0.013087 0.000239 -0.015551 -0.005763 -0.016359 3C 2pz -0.015614 0.122058 -0.001597 0.129605 0.076338 0.052412 3C 2px 0.000554 0.022077 0.011024 0.011959 0.012002 -0.014300 3C 2py 0.016155 -0.140166 0.006565 -0.146324 -0.030098 -0.032815 3C 3pz 0.002426 -0.083168 -0.026703 -0.000291 -0.046590 -0.099888 3C 3px 0.044741 -0.085113 0.093232 -0.051231 -0.025172 -0.089932 3C 3py -0.013581 0.172855 0.006344 0.095411 0.007622 0.214167 3C 1dz2 0.000265 -0.004472 0.000643 -0.006510 0.001174 -0.004529 3C 1dxz 0.000961 0.001170 0.000474 0.000040 0.000576 -0.001103 3C 1dyz 0.000654 -0.008046 -0.000481 -0.008653 -0.002995 -0.004510 3C 1dx2y2 -0.000549 -0.001557 -0.001764 -0.000307 0.000203 0.001433 3C 1dxy 0.002293 -0.004806 0.002462 -0.004264 -0.002136 -0.001931 3C 2dz2 -0.003054 0.013543 -0.004716 0.021718 0.013235 0.017538 3C 2dxz -0.002427 0.043822 0.008015 0.059804 0.019686 0.036112 3C 2dyz 0.005773 -0.010341 0.012759 0.004743 -0.002966 0.008258 3C 2dx2y2 0.011927 -0.069581 0.010849 -0.082794 -0.026277 -0.045031 3C 2dxy -0.004686 -0.035576 -0.016498 -0.042020 -0.015954 -0.021130 3C 1f0 -0.000203 -0.000247 0.000333 0.003050 0.000127 0.001159 3C 1f+1 -0.000269 0.003231 -0.000143 0.003898 0.002694 0.001709 3C 1f-1 -0.000511 0.002270 0.000218 0.003922 -0.001882 0.001375 3C 1f+2 -0.000144 -0.001685 -0.001382 0.002249 -0.000009 0.001386 3C 1f-2 0.001490 -0.007261 0.000541 -0.006227 -0.003269 -0.002901 3C 1f+3 -0.002366 0.009709 -0.000734 0.010976 0.002265 0.005623 3C 1f-3 -0.000091 -0.006766 -0.000019 -0.008076 -0.000242 -0.003439 4C 1s -0.002768 0.024246 -0.000951 0.009035 -0.032645 -0.021673 4C 2s 0.005872 -0.051593 0.001986 -0.019321 0.069721 0.046650 4C 3s -0.003044 0.018602 -0.004773 0.007065 -0.014524 -0.055256 4C 4s -0.043339 0.429439 -0.001046 0.144099 -0.588160 -0.170215 4C 5s 0.000824 0.407398 0.052879 0.027222 -0.116599 0.415497 4C 1pz 0.011388 -0.000174 0.010475 0.002560 -0.009680 -0.011058 4C 1px -0.033949 -0.006917 -0.031369 0.000114 0.000053 -0.001774 4C 1py -0.006135 -0.001924 -0.005450 0.001085 -0.006958 -0.007651 4C 2pz 0.171804 0.449060 0.102791 0.136176 -0.437497 -0.195726 4C 2px -0.686789 -0.036889 -0.353682 0.002183 -0.087686 -0.034027 4C 2py -0.153584 0.253358 -0.071072 0.074955 -0.294791 -0.128958 4C 3pz -0.037022 -0.467316 -0.128998 -0.146813 0.318923 1.104543 4C 3px 0.216573 -0.027151 0.343168 -0.045253 0.016195 0.195018 4C 3py 0.058503 -0.295131 0.050283 -0.023585 0.235643 0.753122 4C 1dz2 0.024090 -0.004349 0.013271 0.005771 0.013937 0.007180 4C 1dxz -0.037072 -0.027919 -0.022328 -0.004563 0.028433 0.019557 4C 1dyz -0.001188 0.017140 0.000213 0.000539 -0.019839 -0.015263 4C 1dx2y2 -0.007631 0.036919 -0.002609 0.019559 -0.046332 -0.034199 4C 1dxy -0.031201 0.016956 -0.017928 0.007487 -0.027519 -0.020113 4C 2dz2 0.160262 -0.104619 0.100588 -0.080460 0.155181 0.074607 4C 2dxz -0.232630 -0.202687 -0.158302 -0.084077 0.209877 0.084453 4C 2dyz 0.019855 -0.081875 0.008836 -0.003617 0.088551 0.060808 4C 2dx2y2 -0.038317 0.209967 -0.017007 0.050531 -0.300378 -0.105033 4C 2dxy -0.199574 0.021391 -0.123645 0.014412 -0.084006 -0.016383 4C 1f0 0.002351 -0.006140 0.001680 -0.002822 0.009676 0.000736 4C 1f+1 -0.005037 -0.019550 -0.004574 -0.004298 0.027685 0.005132 4C 1f-1 0.015026 0.011140 0.009492 0.002706 -0.009879 -0.004323 4C 1f+2 0.019336 0.014480 0.011820 0.002261 -0.017729 -0.002232 4C 1f-2 -0.025678 -0.002030 -0.016168 -0.004745 -0.004102 -0.000590 4C 1f+3 0.017425 0.006078 0.009922 0.006247 -0.002795 -0.000744 4C 1f-3 0.027609 -0.012219 0.015843 -0.010009 0.023222 0.004873 5C 1s -0.002730 0.024397 0.000078 0.032431 0.009240 0.021412 5C 2s 0.005781 -0.051921 -0.000177 -0.069281 -0.019761 -0.046106 5C 3s -0.000731 0.018745 0.001804 0.015341 0.008839 0.055459 5C 4s -0.056383 0.432155 -0.000183 0.580316 0.139496 0.164357 5C 5s -0.071755 0.400609 -0.034822 0.109035 0.038775 -0.421637 5C 1pz -0.004247 0.001005 -0.010140 0.007161 0.001031 0.007448 5C 1px 0.013678 -0.004185 0.031188 0.003670 0.000970 0.003880 5C 1py 0.002066 0.001584 0.006202 -0.009042 -0.002218 -0.011007 5C 2pz -0.116381 0.261944 -0.112646 0.259978 0.082328 0.110548 5C 2px 0.251791 0.095504 0.345643 0.149949 0.019464 0.069843 5C 2py 0.099255 -0.421619 0.064031 -0.432495 -0.140075 -0.188075 5C 3pz 0.057250 -0.293948 0.124819 -0.230539 -0.020852 -0.677756 5C 3px -0.065725 -0.126102 -0.333837 -0.116470 -0.026869 -0.401877 5C 3py -0.067107 0.459037 -0.079856 0.307695 0.154083 1.093679 5C 1dz2 -0.004155 -0.025379 -0.008141 -0.030594 -0.017595 -0.023742 5C 1dxz 0.012807 -0.023045 0.011608 -0.027034 -0.012510 -0.019646 5C 1dyz 0.009825 -0.026451 0.010366 -0.029868 -0.003821 -0.022219 5C 1dx2y2 0.006182 0.028717 0.013183 0.040902 0.004566 0.027317 5C 1dxy -0.013968 0.007265 -0.022186 0.006243 0.002055 0.003251 5C 2dz2 -0.019957 -0.071811 -0.056542 -0.126852 0.010469 -0.029339 5C 2dxz 0.059952 -0.168290 0.082941 -0.210938 -0.044179 -0.077894 5C 2dyz 0.043122 0.014211 0.073138 0.008412 -0.020650 0.030041 5C 2dx2y2 0.029800 0.216052 0.094469 0.293436 0.108970 0.116302 5C 2dxy -0.118418 0.137019 -0.158707 0.143530 0.053197 0.067476 5C 1f0 0.009436 -0.016044 0.011415 -0.018568 -0.008158 -0.004985 5C 1f+1 -0.006378 -0.011864 -0.012065 -0.018221 -0.009233 -0.003822 5C 1f-1 0.005484 -0.001207 0.008432 0.001007 -0.004324 -0.000004 5C 1f+2 -0.000176 -0.005555 -0.000780 -0.008381 0.002841 -0.003138 5C 1f-2 -0.014826 0.011921 -0.020736 0.014817 0.003374 0.001912 5C 1f+3 -0.002491 -0.009560 -0.004690 -0.016215 -0.003422 -0.002195 5C 1f-3 0.001948 0.015011 0.006297 0.023418 0.001860 0.003139 6C 1s -0.002715 0.024472 -0.000220 -0.032294 -0.008940 0.021678 6C 2s 0.005748 -0.052077 0.000480 0.068985 0.019114 -0.046675 6C 3s -0.000469 0.018936 -0.002025 -0.015199 -0.007896 0.055651 6C 4s -0.057439 0.432540 -0.001942 -0.578239 -0.138030 0.168430 6C 5s -0.071916 0.402092 0.033532 -0.110099 -0.045380 -0.420043 6C 1pz 0.004214 -0.001082 -0.010132 0.007081 0.000947 -0.007473 6C 1px -0.013601 0.004426 0.031125 0.003603 0.000873 -0.003905 6C 1py -0.002043 -0.001508 0.006207 -0.008975 -0.002072 0.011066 6C 2pz 0.116078 -0.263421 -0.110962 0.259407 0.081193 -0.112873 6C 2px -0.250535 -0.092931 0.345165 0.149320 0.016883 -0.070681 6C 2py -0.099004 0.422980 0.061415 -0.431338 -0.137631 0.191930 6C 3pz -0.056467 0.295151 0.123655 -0.227511 -0.011578 0.678511 6C 3px 0.064958 0.122911 -0.334124 -0.114681 -0.020978 0.402195 6C 3py 0.066392 -0.460027 -0.077886 0.303522 0.138858 -1.096566 6C 1dz2 -0.004133 -0.025342 0.008280 0.030398 0.017224 -0.024103 6C 1dxz 0.012764 -0.023180 -0.011458 0.026918 0.012275 -0.019935 6C 1dyz 0.009777 -0.026564 -0.010201 0.029742 0.003538 -0.022396 6C 1dx2y2 0.006143 0.028679 -0.013306 -0.040708 -0.004157 0.027572 6C 1dxy -0.013883 0.007419 0.022091 -0.006177 -0.002084 0.003271 6C 2dz2 -0.019763 -0.071496 0.056786 0.126426 -0.011010 -0.029688 6C 2dxz 0.059714 -0.169682 -0.081723 0.210705 0.043478 -0.079695 6C 2dyz 0.043045 0.013552 -0.073091 -0.008377 0.021487 0.029741 6C 2dx2y2 0.029404 0.215824 -0.095432 -0.292463 -0.106953 0.119023 6C 2dxy -0.117982 0.138811 0.157625 -0.143380 -0.052750 0.069027 6C 1f0 -0.009420 0.016168 0.011311 -0.018505 -0.008122 0.005171 6C 1f+1 0.006310 0.011798 -0.012090 -0.018157 -0.009154 0.004031 6C 1f-1 -0.005461 0.001298 0.008418 0.000970 -0.004347 0.000074 6C 1f+2 0.000199 0.005587 -0.000816 -0.008411 0.002906 0.003143 6C 1f-2 0.014781 -0.012131 -0.020626 0.014800 0.003452 -0.002053 6C 1f+3 0.002438 0.009544 -0.004700 -0.016175 -0.003382 0.002317 6C 1f-3 -0.001906 -0.014977 0.006373 0.023307 0.001826 -0.003258 7C 1s -0.002750 0.024270 0.000820 -0.009088 0.032363 -0.022082 7C 2s 0.005833 -0.051643 -0.001707 0.019432 -0.069113 0.047523 7C 3s -0.002866 0.018706 0.004777 -0.007342 0.013754 -0.055309 7C 4s -0.043938 0.429285 -0.001613 -0.144215 0.586001 -0.178057 7C 5s 0.002097 0.407495 -0.056866 -0.022086 0.122727 0.413842 7C 1pz -0.011361 0.000222 0.010513 0.002623 -0.009486 0.011168 7C 1px 0.033905 0.006774 -0.031512 0.000143 0.000074 0.001760 7C 1py 0.006112 0.001924 -0.005456 0.001141 -0.006810 0.007726 7C 2pz -0.171879 -0.448514 0.105724 0.135989 -0.434385 0.200901 7C 2px 0.686423 0.036770 -0.355729 0.002503 -0.087874 0.034980 7C 2py 0.153299 -0.254695 -0.069984 0.075433 -0.294815 0.133339 7C 3pz 0.038634 0.467304 -0.132805 -0.148331 0.304895 -1.107440 7C 3px -0.216275 0.028107 0.343810 -0.045093 0.012843 -0.193812 7C 3py -0.057480 0.296631 0.048032 -0.024553 0.225622 -0.757094 7C 1dz2 0.024046 -0.004495 -0.013275 -0.005734 -0.014057 0.007491 7C 1dxz -0.037030 -0.027850 0.022578 0.004525 -0.028123 0.019915 7C 1dyz -0.001154 0.017199 -0.000319 -0.000658 0.019730 -0.015575 7C 1dx2y2 -0.007548 0.036927 0.002371 -0.019578 0.045810 -0.034718 7C 1dxy -0.031253 0.017010 0.017966 -0.007545 0.027301 -0.020455 7C 2dz2 0.159605 -0.104762 -0.100210 0.080788 -0.154018 0.076167 7C 2dxz -0.232202 -0.202428 0.159927 0.084281 -0.208642 0.087134 7C 2dyz 0.020035 -0.082036 -0.008719 0.004266 -0.088137 0.062112 7C 2dx2y2 -0.037944 0.210481 0.015678 -0.050961 0.299761 -0.109322 7C 2dxy -0.199961 0.021388 0.124389 -0.014373 0.083780 -0.017360 7C 1f0 -0.002260 0.006252 0.001591 -0.002853 0.009792 -0.000940 7C 1f+1 0.004915 0.019532 -0.004657 -0.004272 0.027660 -0.005539 7C 1f-1 -0.015083 -0.011125 0.009622 0.002736 -0.009801 0.004436 7C 1f+2 -0.019354 -0.014375 0.011990 0.002191 -0.017554 0.002409 7C 1f-2 0.025744 0.002091 -0.016318 -0.004737 -0.004023 0.000608 7C 1f+3 -0.017317 -0.006081 0.009928 0.006259 -0.002779 0.000752 7C 1f-3 -0.027537 0.012279 0.015800 -0.010019 0.023204 -0.005155 8C 1s -0.000604 0.006495 -0.000365 -0.007910 -0.002067 0.007701 8C 2s 0.001191 -0.012783 0.000706 0.015822 0.004109 -0.015423 8C 3s 0.001489 0.006394 0.000635 -0.030276 -0.005032 0.052360 8C 4s -0.043526 0.292373 -0.004733 -0.234472 -0.082985 0.016749 8C 5s 0.121192 -0.835054 -0.055373 0.424875 0.161894 -0.990682 8C 1pz 0.000651 -0.003732 -0.000852 0.004459 -0.001051 -0.005708 8C 1px 0.000087 -0.007436 0.001710 0.009229 0.002215 -0.008314 8C 1py -0.001731 0.013068 0.000169 -0.015391 -0.005527 0.016461 8C 2pz 0.015605 -0.122227 -0.000802 0.129126 0.075363 -0.053926 8C 2px -0.000755 -0.021058 0.010982 0.010712 0.011656 0.014956 8C 2py -0.016075 0.141117 0.005774 -0.146995 -0.029521 0.034391 8C 3pz -0.002564 0.083043 -0.027007 -0.000300 -0.045087 0.100516 8C 3px -0.044394 0.086324 0.092771 -0.051564 -0.024264 0.090903 8C 3py 0.013406 -0.172842 0.006952 0.094147 0.004538 -0.214375 8C 1dz2 0.000269 -0.004495 -0.000637 0.006489 -0.001233 -0.004541 8C 1dxz 0.000952 0.001185 -0.000476 -0.000082 -0.000560 -0.001077 8C 1dyz 0.000652 -0.008048 0.000514 0.008608 0.002921 -0.004577 8C 1dx2y2 -0.000556 -0.001538 0.001784 0.000314 -0.000210 0.001442 8C 1dxy 0.002276 -0.004854 -0.002409 0.004290 0.002131 -0.001997 8C 2dz2 -0.003046 0.013743 0.004574 -0.021748 -0.013090 0.017929 8C 2dxz -0.002500 0.044098 -0.008236 -0.059965 -0.019114 0.036870 8C 2dyz 0.005694 -0.010364 -0.012781 -0.004817 0.003029 0.008329 8C 2dx2y2 0.011850 -0.069776 -0.010434 0.082455 0.025533 -0.045725 8C 2dxy -0.004653 -0.035688 0.016658 0.042116 0.015636 -0.021660 8C 1f0 0.000212 0.000255 0.000338 0.003013 0.000116 -0.001157 8C 1f+1 0.000262 -0.003253 -0.000140 0.003899 0.002701 -0.001780 8C 1f-1 0.000506 -0.002269 0.000245 0.003903 -0.001891 -0.001359 8C 1f+2 0.000140 0.001653 -0.001405 0.002264 -0.000012 -0.001410 8C 1f-2 -0.001493 0.007332 0.000469 -0.006273 -0.003249 0.002997 8C 1f+3 0.002363 -0.009762 -0.000700 0.010992 0.002184 -0.005725 8C 1f-3 0.000105 0.006706 -0.000048 -0.007919 -0.000158 0.003398 9C 1s -0.001066 0.006436 0.000592 -0.002289 0.007921 -0.007837 9C 2s 0.002084 -0.012663 -0.001151 0.004560 -0.015837 0.015689 9C 3s -0.006318 0.005256 -0.000958 -0.007493 0.029485 -0.052347 9C 4s -0.007154 0.296141 0.013512 -0.074616 0.240092 -0.022998 9C 5s 0.000986 -0.835580 0.078204 0.155335 -0.412527 0.999686 9C 1pz 0.000766 -0.011459 0.000462 0.005076 -0.013225 0.015238 9C 1px 0.001795 -0.007252 -0.002169 0.003477 -0.009104 0.007721 9C 1py 0.000605 -0.007467 -0.000071 0.000624 -0.009311 0.009652 9C 2pz 0.013117 -0.157623 0.000993 0.033837 -0.172299 0.051492 9C 2px 0.016289 0.028365 -0.007063 -0.025039 0.040969 -0.042170 9C 2py 0.019417 -0.103428 -0.007197 0.063872 -0.102728 0.032907 9C 3pz -0.035919 0.163707 0.016840 -0.005274 0.075402 -0.208139 9C 3px 0.080004 0.064690 -0.095471 0.001049 0.067661 -0.065054 9C 3py 0.006366 0.114458 -0.023447 -0.052975 0.031572 -0.133014 9C 1dz2 -0.002680 0.003354 0.001794 0.001034 0.003573 -0.001097 9C 1dxz 0.001869 0.001842 -0.001461 -0.000357 0.000903 0.000219 9C 1dyz -0.000607 0.008714 -0.000260 -0.003853 0.008680 -0.004515 9C 1dx2y2 0.001722 0.001103 -0.001427 0.000405 0.002914 -0.003369 9C 1dxy 0.001752 0.004405 -0.001285 0.000087 0.006002 -0.003990 9C 2dz2 0.007849 0.043745 -0.011718 -0.009392 0.047361 -0.022779 9C 2dxz -0.027803 0.046850 0.020937 -0.020938 0.065758 -0.040153 9C 2dyz -0.002003 0.027226 -0.004860 -0.009951 0.018067 -0.004246 9C 2dx2y2 0.004849 -0.059914 -0.001355 0.026437 -0.080399 0.051702 9C 2dxy -0.014177 -0.010717 0.011356 0.007949 -0.015339 0.011517 9C 1f0 0.001725 -0.002531 -0.000529 -0.001894 -0.003269 0.000577 9C 1f+1 -0.000860 -0.010308 0.000853 0.001578 -0.013256 0.006620 9C 1f-1 0.001027 -0.004469 -0.000468 0.000258 -0.000496 0.000513 9C 1f+2 -0.000502 0.005684 0.000359 -0.003214 0.004092 -0.001757 9C 1f-2 -0.002839 -0.004720 -0.000255 0.001532 -0.003560 0.002133 9C 1f+3 -0.000900 -0.001150 0.001234 0.000893 -0.000970 0.001057 9C 1f-3 0.000512 -0.004912 0.000553 0.003081 -0.006261 0.003032 10H 1s -0.000702 0.005294 -0.002282 0.003180 -0.010746 -0.009751 10H 2s -0.019199 0.066584 -0.005108 0.030505 -0.088959 -0.051881 10H 3s 0.036084 0.060892 0.029960 0.007710 -0.044641 -0.051054 10H 1pz -0.003752 0.003489 -0.002292 0.003587 -0.009603 -0.005059 10H 1px 0.004570 -0.005949 0.001659 -0.003865 0.009908 0.007540 10H 1py -0.001680 0.004354 -0.000995 0.003150 -0.008970 -0.005095 11H 1s 0.000324 -0.005915 0.000454 -0.002730 0.005232 0.002930 11H 2s 0.007173 -0.031853 0.018439 -0.029156 0.051919 0.035746 11H 3s -0.006233 0.066962 -0.003555 0.035234 -0.016985 -0.050712 11H 1pz 0.001909 -0.006666 0.004579 -0.006203 0.005761 0.004182 11H 1px 0.001066 -0.010350 0.002072 -0.006549 0.012213 0.008383 11H 1py 0.001066 -0.002362 -0.000351 -0.000538 0.003701 0.002633 12H 1s -0.000033 -0.002533 0.000204 0.000364 0.000102 -0.001390 12H 2s 0.001712 -0.008619 0.015025 0.005366 0.028487 0.021587 12H 3s -0.007868 0.063194 -0.004754 -0.003324 -0.037296 -0.055598 12H 1pz 0.001843 -0.003243 0.002105 0.000137 0.003656 0.002569 12H 1px 0.001850 -0.010634 0.002468 -0.002510 0.014945 0.009972 12H 1py 0.000726 -0.003521 0.003789 0.003383 0.003378 0.001854 13H 1s -0.000974 0.004504 0.001669 0.009904 0.002799 0.008893 13H 2s 0.000451 0.059254 0.002728 0.075673 0.029720 0.042220 13H 3s -0.024444 0.060373 -0.026418 0.043936 0.009634 0.051791 13H 1pz 0.001370 0.007518 0.001507 0.013608 0.005701 0.008536 13H 1px -0.000906 -0.001708 -0.000842 -0.002634 -0.001628 -0.002578 13H 1py -0.001236 -0.000117 -0.001967 -0.003868 -0.002286 -0.001191 14H 1s 0.001508 -0.000618 -0.000270 0.001989 0.000626 0.003038 14H 2s -0.005449 0.003621 -0.011360 -0.011120 0.011627 -0.011270 14H 3s 0.000640 0.061355 0.006611 0.039701 -0.000650 0.055015 14H 1pz -0.001314 0.003647 -0.001827 0.006646 0.004871 0.004547 14H 1px -0.000059 -0.008375 -0.003109 -0.011073 0.000471 -0.007195 14H 1py 0.000307 0.005018 0.002240 0.005567 0.000404 0.004066 15H 1s 0.000139 -0.006923 -0.000264 -0.006514 -0.003477 -0.003762 15H 2s 0.003846 -0.035668 -0.013535 -0.056376 -0.028925 -0.036002 15H 3s -0.012364 0.066250 0.002295 0.016507 0.037661 0.047894 15H 1pz -0.000558 0.002467 0.000557 0.002451 0.001969 0.001309 15H 1px 0.001624 -0.007262 0.000320 -0.008999 -0.004172 -0.006060 15H 1py -0.000601 0.009269 0.003846 0.008934 0.007443 0.005775 16H 1s 0.002363 -0.005015 -0.002376 0.000428 -0.000650 -0.000984 16H 2s 0.041434 0.014888 0.019120 -0.000805 0.054420 0.012512 16H 3s -0.017118 0.018805 -0.003602 0.006428 -0.022108 -0.014364 16H 1pz 0.014636 0.000581 0.006937 0.000561 0.014759 0.005971 16H 1px 0.001225 -0.001446 -0.001646 -0.000640 0.000617 -0.000220 16H 1py 0.005733 -0.001953 0.003285 -0.000162 0.004668 0.002967 17H 1s 0.003246 -0.004794 0.001988 -0.000466 0.000598 0.001164 17H 2s 0.028550 0.010505 -0.011559 0.030669 0.030106 -0.008280 17H 3s -0.004445 0.022222 0.001885 -0.023046 -0.002230 0.011656 17H 1pz -0.007845 0.001419 0.001725 -0.006874 -0.006845 0.002199 17H 1px -0.007696 -0.001880 0.003510 -0.002685 -0.007275 0.002306 17H 1py 0.005596 -0.002493 -0.003610 0.003636 0.003168 -0.003279 18H 1s 0.003188 -0.004842 -0.001870 0.000401 -0.000575 0.001154 18H 2s 0.029434 0.011248 0.010907 -0.028269 -0.031086 -0.007478 18H 3s -0.003993 0.022152 -0.002096 0.023092 0.001885 0.011265 18H 1pz 0.008115 -0.001416 0.001657 -0.006638 -0.007124 -0.002000 18H 1px 0.008031 0.002043 0.003384 -0.002122 -0.007686 -0.002132 18H 1py -0.005362 0.002400 -0.003576 0.003175 0.003031 0.003169 19H 1s 0.002238 -0.005036 0.002456 -0.000424 0.000724 -0.000984 19H 2s 0.041388 0.015180 -0.019745 0.003176 -0.054673 0.013414 19H 3s -0.017138 0.018954 0.003485 -0.006025 0.021996 -0.014637 19H 1pz -0.014285 -0.000714 0.007038 -0.000241 0.014515 -0.006218 19H 1px -0.001146 0.001443 -0.001682 -0.000366 0.000509 0.000237 19H 1py -0.006111 0.001992 0.003355 -0.000347 0.005087 -0.003100 20H 1s 0.000119 -0.006899 0.000309 0.006428 0.003382 -0.003782 20H 2s 0.003892 -0.035523 0.014085 0.055960 0.028458 -0.036562 20H 3s -0.012453 0.066425 -0.002707 -0.016451 -0.036928 0.048498 20H 1pz 0.000561 -0.002470 0.000600 0.002439 0.001958 -0.001338 20H 1px -0.001623 0.007441 0.000208 -0.009169 -0.004169 0.006291 20H 1py 0.000602 -0.009192 0.003978 0.008815 0.007341 -0.005863 21H 1s 0.001520 -0.000725 0.000253 -0.001814 -0.000557 0.002945 21H 2s -0.005208 0.002819 0.011534 0.012383 -0.011426 -0.011949 21H 3s 0.000462 0.061641 -0.006665 -0.039331 0.001558 0.055175 21H 1pz 0.001277 -0.003543 -0.001849 0.006411 0.004776 -0.004521 21H 1px 0.000006 0.008561 -0.003171 -0.011311 0.000499 0.007410 21H 1py -0.000308 -0.005002 0.002272 0.005557 0.000345 -0.004085 22H 1s -0.000959 0.004563 -0.001718 -0.009935 -0.002701 0.009034 22H 2s 0.000271 0.060030 -0.002993 -0.076444 -0.029149 0.043606 22H 3s -0.024296 0.060746 0.026265 -0.043521 -0.009242 0.052074 22H 1pz -0.001348 -0.007536 0.001546 0.013565 0.005525 -0.008676 22H 1px 0.000892 0.001853 -0.000849 -0.002853 -0.001623 0.002769 22H 1py 0.001201 0.000281 -0.001954 -0.004126 -0.002317 0.001416 23H 1s 0.000016 -0.002719 -0.000197 -0.000318 -0.000389 -0.001192 23H 2s 0.002051 -0.009992 -0.015481 -0.004726 -0.030051 0.023007 23H 3s -0.007297 0.063452 0.004263 0.003854 0.036285 -0.055887 23H 1pz -0.001838 0.003206 0.002061 0.000135 0.003606 -0.002584 23H 1px -0.001831 0.010673 0.002381 -0.002587 0.014859 -0.010183 23H 1py -0.000786 0.003892 0.003902 0.003271 0.003876 -0.002221 24H 1s 0.000264 -0.005815 -0.000414 0.002663 -0.005018 0.002849 24H 2s 0.007110 -0.031339 -0.018475 0.029094 -0.050755 0.036352 24H 3s -0.006059 0.067152 0.003086 -0.034795 0.016762 -0.051343 24H 1pz -0.001881 0.006514 0.004569 -0.006116 0.005460 -0.004127 24H 1px -0.001107 0.010492 0.002147 -0.006660 0.012280 -0.008709 24H 1py -0.001142 0.002584 -0.000273 -0.000670 0.003935 -0.002836 25H 1s -0.000722 0.005371 0.002292 -0.003245 0.010695 -0.009961 25H 2s -0.019550 0.067355 0.004837 -0.030654 0.089563 -0.053770 25H 3s 0.036796 0.060842 -0.030932 -0.007744 0.043851 -0.051532 25H 1pz 0.003859 -0.003775 -0.002285 0.003660 -0.009966 0.005461 25H 1px -0.004639 0.006037 0.001667 -0.003877 0.009960 -0.007759 25H 1py 0.001627 -0.004169 -0.000955 0.003037 -0.008633 0.004996 26O 1s -0.699556 0.360775 -0.509590 0.177669 -0.669629 -0.491588 26O 2s 0.866546 -0.447168 0.631819 -0.221306 0.834279 0.612644 26O 3s -0.935168 0.480819 -0.680295 0.246316 -0.933264 -0.678562 26O 4s 1.390949 -0.657314 0.986120 -0.362304 1.382260 0.996682 26O 5s -0.550287 0.130030 -0.483908 0.205402 -0.650943 -1.040089 26O 1pz -0.000609 -0.003164 -0.004026 -0.001601 0.000996 0.001684 26O 1px 0.034892 -0.025532 0.022888 -0.010604 0.037434 0.021958 26O 1py 0.012986 -0.011522 0.006305 -0.002215 0.015229 0.009093 26O 2pz -0.000328 0.030338 0.015123 0.014742 -0.025271 -0.010948 26O 2px -0.284124 0.153293 -0.177471 0.067026 -0.251231 -0.120460 26O 2py -0.108126 0.076000 -0.058047 0.017341 -0.113594 -0.050876 26O 3pz -0.081478 0.099494 0.046620 0.042387 -0.245850 -0.215554 26O 3px -0.128436 0.042679 0.044059 -0.011251 -0.084255 0.155169 26O 3py -0.074091 0.072831 0.046369 0.072901 -0.171739 -0.078791 26O 1dz2 0.009807 -0.004079 0.003763 -0.000151 0.007597 0.005786 26O 1dxz -0.002453 0.004118 -0.002268 0.003339 -0.005598 -0.005597 26O 1dyz 0.006384 0.003080 0.002309 0.000239 -0.003042 -0.000292 26O 1dx2y2 -0.006032 0.004334 -0.001667 0.003915 -0.006182 -0.004028 26O 1dxy -0.005872 0.007699 -0.002489 0.001712 -0.011562 -0.007855 26O 2dz2 -0.064298 0.029654 -0.028462 0.007192 -0.053813 -0.030610 26O 2dxz 0.012514 -0.026684 0.008400 -0.018011 0.036859 0.027539 26O 2dyz -0.015231 -0.018217 -0.002786 -0.004057 0.020177 0.005910 26O 2dx2y2 0.061873 -0.032189 0.028976 -0.023055 0.051923 0.025791 26O 2dxy 0.060225 -0.052419 0.030795 -0.013671 0.083305 0.044356 26O 1f0 0.002726 -0.002351 0.000996 -0.002486 0.004184 0.002576 26O 1f+1 0.011773 -0.006981 0.007400 -0.002986 0.010408 0.006681 26O 1f-1 0.004845 -0.002946 0.004347 -0.001262 0.006181 0.001903 26O 1f+2 -0.005156 -0.000050 -0.003511 0.000273 -0.001523 0.000106 26O 1f-2 0.000540 0.004514 0.001932 0.002143 -0.007092 -0.004946 26O 1f+3 0.004255 -0.004217 0.002906 -0.002828 0.005382 0.003672 26O 1f-3 0.012661 -0.012459 0.006672 -0.004010 0.019282 0.012195 27O 1s 0.205669 0.411546 0.490544 0.666602 0.181630 0.483459 27O 2s -0.254753 -0.510083 -0.608188 -0.830345 -0.226265 -0.602498 27O 3s 0.275425 0.549189 0.654678 0.927070 0.251848 0.667151 27O 4s -0.419400 -0.760921 -0.949271 -1.371874 -0.371190 -0.979828 27O 5s 0.198311 0.164105 0.466314 0.668468 0.215704 1.027686 27O 1pz 0.001702 0.001872 0.005038 0.003486 0.002787 0.001698 27O 1px -0.009454 -0.030169 -0.022375 -0.039535 -0.010102 -0.023043 27O 1py 0.000655 0.006783 -0.001423 0.005811 0.003117 0.004330 27O 2pz -0.013525 -0.004046 -0.029989 -0.011761 -0.014384 -0.008426 27O 2px 0.085005 0.190447 0.177167 0.267365 0.064865 0.126257 27O 2py -0.006467 -0.052353 -0.005254 -0.056001 -0.023565 -0.025169 27O 3pz 0.043959 0.067930 -0.027262 0.137695 0.080725 0.156330 27O 3px 0.047309 0.079246 -0.055132 0.107287 0.020692 -0.120148 27O 3py 0.006685 -0.098794 0.050283 -0.238711 -0.043085 -0.186376 27O 1dz2 -0.000601 -0.005850 -0.001000 -0.007343 -0.003457 -0.004885 27O 1dxz -0.001245 0.000938 0.000560 0.002340 -0.001856 0.001884 27O 1dyz 0.003417 -0.000735 0.003297 -0.000255 0.001336 0.001984 27O 1dx2y2 0.002906 0.007676 0.003858 0.011341 0.001390 0.007875 27O 1dxy -0.000256 -0.006477 -0.001809 -0.008799 -0.003494 -0.006577 27O 2dz2 0.012957 0.041982 0.021615 0.056517 0.018615 0.029370 27O 2dxz 0.007120 -0.004751 0.004244 -0.009935 0.008935 -0.007507 27O 2dyz -0.011025 0.004062 -0.007368 0.002106 -0.004987 -0.006112 27O 2dx2y2 -0.024897 -0.056030 -0.040389 -0.083247 -0.014442 -0.044156 27O 2dxy 0.003681 0.043733 0.015079 0.059667 0.021836 0.035815 27O 1f0 -0.000301 0.001239 0.001748 0.001816 0.001670 0.000306 27O 1f+1 -0.002009 -0.010662 -0.004898 -0.014962 -0.003227 -0.009715 27O 1f-1 0.000194 0.002699 0.000596 0.004664 0.000520 0.002404 27O 1f+2 0.000472 -0.002091 0.000367 -0.001258 -0.001383 -0.002534 27O 1f-2 0.001810 -0.002291 0.004392 -0.003127 -0.000841 -0.002842 27O 1f+3 -0.004005 -0.010181 -0.008376 -0.013646 -0.003108 -0.008007 27O 1f-3 0.001742 0.008022 0.003817 0.012071 0.004412 0.007524 28O 1s 0.589158 0.583562 0.481648 0.200489 -0.681844 -0.493480 28O 2s -0.729765 -0.723243 -0.597146 -0.249737 0.849444 0.614971 28O 3s 0.789213 0.780650 0.643208 0.279269 -0.950375 -0.681455 28O 4s -1.192258 -1.118395 -0.935054 -0.417213 1.422087 1.007971 28O 5s 0.492726 0.321713 0.455711 0.192856 -0.700173 -1.041161 28O 1pz -0.015620 -0.024382 -0.008987 -0.007725 0.023254 0.014746 28O 1px 0.025502 0.031204 0.020571 0.009452 -0.033761 -0.019108 28O 1py -0.000202 -0.002755 0.002396 0.001271 0.001666 0.001404 28O 2pz 0.139424 0.175181 0.086115 0.058159 -0.175425 -0.084222 28O 2px -0.216744 -0.210590 -0.155956 -0.063490 0.224583 0.107817 28O 2py 0.003991 0.025628 -0.006918 -0.004241 -0.024150 -0.008747 28O 3pz 0.131882 0.139863 -0.064980 0.051896 -0.256529 -0.092963 28O 3px -0.068638 -0.038264 0.021608 -0.009514 -0.029698 -0.204279 28O 3py 0.030207 0.077547 -0.030473 0.076277 -0.157549 -0.137682 28O 1dz2 -0.002302 0.002299 0.000241 0.003694 -0.003430 -0.002938 28O 1dxz -0.008974 -0.011915 -0.003992 -0.003695 0.013981 0.009936 28O 1dyz -0.006472 0.001005 -0.002087 -0.000978 -0.003332 -0.000616 28O 1dx2y2 0.004074 0.005640 0.000769 0.002540 -0.005657 -0.003373 28O 1dxy -0.004789 -0.003247 -0.002820 0.000313 0.004177 0.003884 28O 2dz2 0.006625 -0.017729 -0.001903 -0.017949 0.023341 0.015715 28O 2dxz 0.076425 0.089686 0.040920 0.029628 -0.101118 -0.055992 28O 2dyz 0.016087 -0.013756 0.001405 0.001857 0.022584 0.006939 28O 2dx2y2 -0.046254 -0.046635 -0.023274 -0.016023 0.047322 0.022361 28O 2dxy 0.017318 0.019039 0.009213 -0.000920 -0.025592 -0.017821 28O 1f0 -0.005566 -0.006719 -0.004353 -0.002192 0.006261 0.004153 28O 1f+1 -0.007273 -0.009251 -0.004027 -0.004621 0.010833 0.006943 28O 1f-1 -0.002724 0.002018 -0.003648 0.000541 -0.003473 -0.003941 28O 1f+2 0.010636 0.015008 0.007880 0.004561 -0.016823 -0.010076 28O 1f-2 -0.000494 -0.003776 -0.000414 -0.000725 0.006418 0.003127 28O 1f+3 0.003922 0.007855 0.002617 0.002390 -0.008584 -0.006066 28O 1f-3 -0.004578 -0.001900 -0.002888 0.000889 0.001264 0.000536 29O 1s 0.038378 -0.057271 0.000234 0.006519 0.008509 0.002135 29O 2s -0.047599 0.070875 -0.000299 -0.008134 -0.010677 -0.002667 29O 3s 0.054965 -0.070252 0.000895 0.010232 0.016902 0.003401 29O 4s -0.075266 0.067500 -0.001847 -0.013623 -0.025175 -0.005517 29O 5s -0.013214 0.010731 -0.005161 -0.015393 -0.058891 0.000997 29O 1pz -0.001453 -0.001284 -0.000536 0.001448 -0.002051 -0.001461 29O 1px 0.000744 0.003656 -0.000055 0.001531 0.001188 -0.000385 29O 1py -0.002475 0.002550 -0.000123 -0.001184 -0.002114 -0.000017 29O 2pz 0.009055 0.003952 0.010081 -0.005700 0.011499 0.012143 29O 2px -0.008461 -0.011600 0.002283 -0.008151 -0.010356 0.003300 29O 2py 0.016267 -0.009293 0.000797 0.005259 0.013598 0.000362 29O 3pz 0.019034 0.017109 0.004760 -0.028916 0.026301 -0.006810 29O 3px -0.000259 -0.022962 0.002936 -0.008572 0.013868 -0.002023 29O 3py 0.037555 0.021776 0.000845 0.030369 0.048372 0.000657 29O 1dz2 0.000227 0.000240 -0.000299 0.001507 -0.000569 -0.000153 29O 1dxz 0.001858 0.001161 -0.000292 -0.001935 0.002826 -0.000206 29O 1dyz -0.000394 -0.000053 -0.001067 -0.001945 -0.000244 -0.000754 29O 1dx2y2 -0.000690 -0.000532 -0.000297 -0.001631 -0.000304 -0.000217 29O 1dxy 0.001178 0.000433 -0.000617 0.001832 0.002678 -0.000453 29O 2dz2 -0.005876 -0.000864 -0.002004 -0.003827 -0.003686 -0.002067 29O 2dxz -0.007910 -0.003452 0.002279 0.003034 -0.009630 0.001997 29O 2dyz -0.000841 -0.000334 -0.001841 0.007378 -0.001958 -0.001954 29O 2dx2y2 0.002715 0.002987 0.001280 0.004264 0.001963 0.001056 29O 2dxy 0.000375 -0.001128 0.000034 -0.002571 -0.003975 -0.000173 29O 1f0 0.002317 -0.001005 0.000696 0.000590 0.001697 0.000397 29O 1f+1 -0.001224 0.000388 0.000261 0.000702 -0.001350 0.000068 29O 1f-1 0.002385 -0.000221 0.000666 -0.000082 0.001929 0.000488 29O 1f+2 -0.000975 0.000671 -0.000024 -0.001173 -0.000291 0.000023 29O 1f-2 0.000844 -0.000390 -0.000857 0.000714 0.000137 -0.000524 29O 1f+3 -0.001192 -0.000070 0.000083 0.000110 -0.001209 -0.000040 29O 1f-3 -0.000542 0.000501 0.000574 -0.001337 -0.000844 0.000362 30O 1s -0.309090 0.541449 -0.491523 0.681392 0.204363 0.494368 30O 2s 0.382862 -0.671047 0.609391 -0.848753 -0.254609 -0.616073 30O 3s -0.413252 0.723400 -0.656264 0.948274 0.285269 0.682274 30O 4s 0.612192 -1.028547 0.952549 -1.412018 -0.427266 -1.007722 30O 5s -0.221473 0.302328 -0.465905 0.676649 0.199881 1.056224 30O 1pz 0.007672 -0.017722 0.008446 -0.018838 -0.004086 -0.010977 30O 1px -0.013366 0.026806 -0.020634 0.031627 0.009895 0.017574 30O 1py -0.007588 0.018726 -0.006464 0.018111 0.006604 0.011668 30O 2pz -0.062816 0.124173 -0.074607 0.138147 0.031567 0.062184 30O 2px 0.105132 -0.174351 0.151804 -0.204858 -0.065205 -0.097894 30O 2py 0.062906 -0.133430 0.065820 -0.140409 -0.050574 -0.065853 30O 3pz -0.086723 0.081714 0.042223 0.155506 0.079951 0.037057 30O 3px 0.021739 -0.001893 -0.015669 0.063912 0.016000 0.241134 30O 3py 0.036631 -0.127270 -0.058066 -0.255026 -0.046541 -0.115741 30O 1dz2 0.000267 -0.000371 -0.001388 -0.000252 -0.003389 0.000635 30O 1dxz 0.003434 -0.007547 0.002819 -0.008938 -0.002335 -0.006318 30O 1dyz -0.000331 -0.006097 -0.000285 -0.008839 -0.001205 -0.004630 30O 1dx2y2 -0.001050 0.000612 0.000204 0.000063 -0.001340 -0.000985 30O 1dxy -0.005495 0.008927 -0.004614 0.010376 0.003899 0.008491 30O 2dz2 -0.006404 0.008302 -0.003576 0.007164 0.016276 0.000411 30O 2dxz -0.031178 0.056229 -0.030229 0.067398 0.016702 0.035717 30O 2dyz -0.012215 0.048992 -0.015873 0.062934 0.013867 0.029350 30O 2dx2y2 0.010497 -0.007583 0.010180 -0.005427 0.003367 0.002185 30O 2dxy 0.035104 -0.063240 0.034239 -0.074668 -0.027550 -0.044736 30O 1f0 0.002813 -0.009752 0.001890 -0.011607 -0.003375 -0.008612 30O 1f+1 0.001991 -0.000923 0.001908 -0.000960 0.001408 -0.000339 30O 1f-1 0.000485 -0.001687 -0.001019 -0.002949 -0.000803 -0.002113 30O 1f+2 -0.002479 0.004009 -0.004942 0.003893 0.000690 0.001402 30O 1f-2 -0.005701 0.013720 -0.006328 0.018001 0.004925 0.010363 30O 1f+3 0.001637 -0.002296 0.002920 -0.003076 -0.001977 -0.001032 30O 1f-3 -0.005185 0.009284 -0.007055 0.009401 0.003944 0.006035 31O 1s -0.307295 0.546899 0.487718 -0.678680 -0.198402 0.500111 31O 2s 0.380639 -0.677799 -0.604673 0.845375 0.247185 -0.623231 31O 3s -0.410894 0.730648 0.651139 -0.944531 -0.277148 0.690330 31O 4s 0.608823 -1.039156 -0.945102 1.406591 0.415591 -1.019939 31O 5s -0.219079 0.307402 0.463663 -0.672255 -0.185563 1.061751 31O 1pz -0.007633 0.017858 0.008330 -0.018782 -0.003951 0.011126 31O 1px 0.013293 -0.027041 -0.020450 0.031526 0.009691 -0.017857 31O 1py 0.007558 -0.018824 -0.006343 0.018001 0.006455 -0.011827 31O 2pz 0.062593 -0.125192 -0.073772 0.137772 0.030964 -0.063315 31O 2px -0.104677 0.176034 0.150531 -0.204273 -0.064326 0.099788 31O 2py -0.062707 0.134279 0.064912 -0.139785 -0.049870 0.067155 31O 3pz 0.086869 -0.081531 0.042597 0.155240 0.079812 -0.038575 31O 3px -0.021998 0.001768 -0.015805 0.062872 0.012344 -0.241587 31O 3py -0.036685 0.127131 -0.059105 -0.254434 -0.045632 0.117550 31O 1dz2 0.000273 -0.000363 0.001381 0.000264 0.003389 0.000590 31O 1dxz 0.003429 -0.007583 -0.002768 0.008903 0.002271 -0.006378 31O 1dyz -0.000328 -0.006097 0.000320 0.008805 0.001142 -0.004683 31O 1dx2y2 -0.001043 0.000616 -0.000214 -0.000064 0.001321 -0.001004 31O 1dxy -0.005479 0.008973 0.004542 -0.010320 -0.003815 0.008591 31O 2dz2 -0.006389 0.008344 0.003531 -0.007164 -0.016266 0.000662 31O 2dxz -0.031113 0.056601 0.029854 -0.067170 -0.016384 0.036220 31O 2dyz -0.012186 0.049184 0.015562 -0.062710 -0.013532 0.029807 31O 2dx2y2 0.010455 -0.007711 -0.010099 0.005433 -0.003261 0.002192 31O 2dxy 0.034999 -0.063621 -0.033758 0.074331 0.027129 -0.045447 31O 1f0 -0.002800 0.009787 0.001824 -0.011543 -0.003271 0.008705 31O 1f+1 -0.001987 0.000948 0.001904 -0.000969 0.001403 0.000329 31O 1f-1 -0.000490 0.001683 -0.001019 -0.002937 -0.000772 0.002132 31O 1f+2 0.002469 -0.004060 -0.004916 0.003896 0.000681 -0.001436 31O 1f-2 0.005674 -0.013796 -0.006239 0.017923 0.004800 -0.010501 31O 1f+3 -0.001624 0.002322 0.002896 -0.003068 -0.001966 0.001069 31O 1f-3 0.005164 -0.009358 -0.006991 0.009366 0.003881 -0.006130 32O 1s 0.037283 -0.057597 0.000319 -0.006878 -0.007882 0.002499 32O 2s -0.046244 0.071278 -0.000386 0.008576 0.009897 -0.003123 32O 3s 0.053586 -0.070624 -0.000276 -0.010337 -0.016142 0.004019 32O 4s -0.073458 0.068021 0.001298 0.013283 0.024252 -0.006461 32O 5s -0.015302 0.009319 0.006047 0.011943 0.060514 0.000232 32O 1pz 0.001398 0.001313 -0.000552 0.001492 -0.001995 0.001479 32O 1px -0.000765 -0.003643 -0.000026 0.001486 0.001220 0.000339 32O 1py 0.002476 -0.002535 -0.000137 -0.001089 -0.002139 0.000116 32O 2pz -0.008402 -0.004035 0.010134 -0.006191 0.010847 -0.012239 32O 2px 0.008785 0.011678 0.002048 -0.007627 -0.010770 -0.002938 32O 2py -0.016394 0.009134 0.001149 0.004298 0.013916 -0.001037 32O 3pz -0.018315 -0.016397 0.004994 -0.029302 0.025928 0.006510 32O 3px 0.000290 0.023040 0.002722 -0.008310 0.013673 0.001785 32O 3py -0.038053 -0.022186 0.001522 0.028925 0.048952 -0.001340 32O 1dz2 0.000233 0.000252 0.000334 -0.001461 0.000565 -0.000168 32O 1dxz 0.001861 0.001154 0.000281 0.001989 -0.002841 -0.000176 32O 1dyz -0.000413 -0.000041 0.001055 0.001958 0.000227 -0.000760 32O 1dx2y2 -0.000682 -0.000528 0.000322 0.001585 0.000319 -0.000233 32O 1dxy 0.001172 0.000426 0.000625 -0.001873 -0.002672 -0.000413 32O 2dz2 -0.005785 -0.000903 0.001779 0.003508 0.003599 -0.001962 32O 2dxz -0.008033 -0.003474 -0.002296 -0.003299 0.009804 0.001927 32O 2dyz -0.000822 -0.000308 0.001957 -0.007512 0.002012 -0.002029 32O 2dx2y2 0.002684 0.003000 -0.001473 -0.003990 -0.002022 0.001209 32O 2dxy 0.000427 -0.001041 -0.000185 0.002962 0.003857 -0.000116 32O 1f0 -0.002161 0.000996 0.000674 0.000525 0.001577 -0.000396 32O 1f+1 0.001332 -0.000399 0.000261 0.000664 -0.001440 -0.000061 32O 1f-1 -0.002454 0.000228 0.000695 -0.000214 0.002007 -0.000534 32O 1f+2 0.001035 -0.000685 -0.000029 -0.001150 -0.000337 -0.000003 32O 1f-2 -0.000835 0.000342 -0.000848 0.000631 0.000166 0.000516 32O 1f+3 0.001183 0.000107 0.000050 0.000208 -0.001221 0.000089 32O 1f-3 0.000534 -0.000483 0.000580 -0.001318 -0.000850 -0.000338 33O 1s 0.588928 0.581997 -0.486765 -0.201156 0.674591 -0.501884 33O 2s -0.729479 -0.721303 0.603490 0.250566 -0.840407 0.625445 33O 3s 0.788887 0.778611 -0.650085 -0.280165 0.940387 -0.693234 33O 4s -1.191731 -1.115753 0.945138 0.418553 -1.407512 1.025862 33O 5s 0.493016 0.319872 -0.459593 -0.194724 0.685535 -1.049811 33O 1pz 0.015613 0.024354 -0.009160 -0.007740 0.023012 -0.015013 33O 1px -0.025509 -0.031179 0.020827 0.009479 -0.033532 0.019556 33O 1py 0.000216 0.002820 0.002368 0.001253 0.001701 -0.001473 33O 2pz -0.139241 -0.174934 0.087404 0.058211 -0.174004 0.086340 33O 2px 0.216722 0.210472 -0.157845 -0.063616 0.223304 -0.110855 33O 2py -0.004160 -0.026004 -0.006636 -0.004117 -0.024423 0.009329 33O 3pz -0.131790 -0.140060 -0.063656 0.051343 -0.254623 0.096352 33O 3px 0.068561 0.038691 0.021259 -0.008817 -0.027153 0.204697 33O 3py -0.030420 -0.077874 -0.029899 0.076584 -0.155469 0.139200 33O 1dz2 -0.002290 0.002279 -0.000251 -0.003720 0.003352 -0.002948 33O 1dxz -0.008951 -0.011896 0.004083 0.003699 -0.013818 0.010112 33O 1dyz -0.006471 0.001015 0.002108 0.000962 0.003356 -0.000671 33O 1dx2y2 0.004092 0.005664 -0.000823 -0.002540 0.005603 -0.003432 33O 1dxy -0.004791 -0.003254 0.002849 -0.000291 -0.004146 0.003945 33O 2dz2 0.006649 -0.017559 0.001951 0.018017 -0.022874 0.015839 33O 2dxz 0.076305 0.089574 -0.041625 -0.029640 0.100201 -0.057262 33O 2dyz 0.016041 -0.013822 -0.001378 -0.001756 -0.022648 0.007299 33O 2dx2y2 -0.046319 -0.046710 0.023740 0.016005 -0.047011 0.022954 33O 2dxy 0.017387 0.019153 -0.009401 0.000799 0.025523 -0.018228 33O 1f0 0.005567 0.006735 -0.004406 -0.002203 0.006238 -0.004255 33O 1f+1 0.007254 0.009200 -0.004080 -0.004619 0.010668 -0.007038 33O 1f-1 0.002713 -0.002036 -0.003643 0.000560 -0.003418 0.003986 33O 1f+2 -0.010635 -0.014987 0.008002 0.004565 -0.016666 0.010286 33O 1f-2 0.000510 0.003802 -0.000443 -0.000751 0.006409 -0.003231 33O 1f+3 -0.003937 -0.007857 0.002689 0.002389 -0.008503 0.006170 33O 1f-3 0.004593 0.001922 -0.002924 0.000873 0.001294 -0.000578 34O 1s 0.204550 0.408692 -0.492163 -0.662955 -0.173720 0.488694 34O 2s -0.253367 -0.506547 0.610194 0.825804 0.216411 -0.609023 34O 3s 0.273903 0.545391 -0.656818 -0.922043 -0.240934 0.674459 34O 4s -0.417089 -0.755294 0.952072 1.364414 0.355028 -0.990647 34O 5s 0.198188 0.160798 -0.467005 -0.662212 -0.200476 1.033243 34O 1pz -0.001694 -0.001839 0.005050 0.003459 0.002758 -0.001755 34O 1px 0.009389 0.030060 -0.022498 -0.039360 -0.009719 0.023349 34O 1py -0.000657 -0.006812 -0.001378 0.005796 0.003061 -0.004405 34O 2pz 0.013477 0.003827 -0.030021 -0.011627 -0.014216 0.008683 34O 2px -0.084392 -0.189437 0.177823 0.266262 0.062573 -0.128262 34O 2py 0.006424 0.052469 -0.005566 -0.055920 -0.023215 0.025787 34O 3pz -0.044169 -0.068395 -0.026778 0.136274 0.078677 -0.158211 34O 3px -0.047038 -0.079828 -0.054954 0.107123 0.022147 0.119402 34O 3py -0.006604 0.099733 0.050119 -0.237310 -0.040257 0.188049 34O 1dz2 -0.000602 -0.005858 0.001034 0.007305 0.003387 -0.004972 34O 1dxz -0.001245 0.000935 -0.000559 -0.002342 0.001883 0.001873 34O 1dyz 0.003406 -0.000760 -0.003281 0.000279 -0.001293 0.002007 34O 1dx2y2 0.002894 0.007657 -0.003883 -0.011268 -0.001249 0.007930 34O 1dxy -0.000250 -0.006496 0.001839 0.008780 0.003402 -0.006667 34O 2dz2 0.012880 0.041914 -0.021802 -0.056275 -0.018139 0.029888 34O 2dxz 0.007100 -0.004796 -0.004238 0.009937 -0.009025 -0.007446 34O 2dyz -0.010995 0.004118 0.007315 -0.002181 0.004862 -0.006188 34O 2dx2y2 -0.024743 -0.055790 0.040564 0.082791 0.013636 -0.044664 34O 2dxy 0.003618 0.043806 -0.015281 -0.059550 -0.021299 0.036407 34O 1f0 0.000303 -0.001234 0.001758 0.001822 0.001663 -0.000340 34O 1f+1 0.001994 0.010647 -0.004943 -0.014895 -0.003076 0.009825 34O 1f-1 -0.000189 -0.002709 0.000605 0.004655 0.000483 -0.002437 34O 1f+2 -0.000473 0.002100 0.000353 -0.001248 -0.001347 0.002561 34O 1f-2 -0.001794 0.002335 0.004371 -0.003099 -0.000811 0.002866 34O 1f+3 0.003982 0.010121 -0.008422 -0.013565 -0.002973 0.008099 34O 1f-3 -0.001726 -0.008026 0.003852 0.012041 0.004292 -0.007648 35O 1s -0.698602 0.363061 0.509441 -0.179200 0.663702 -0.499935 35O 2s 0.865364 -0.450000 -0.631634 0.223213 -0.826897 0.623049 35O 3s -0.933905 0.483809 0.680093 -0.248408 0.925171 -0.690262 35O 4s 1.389104 -0.661392 -0.986108 0.365355 -1.370549 1.014101 35O 5s -0.549124 0.132737 0.484969 -0.208569 0.637110 -1.047699 35O 1pz 0.000599 0.003142 -0.004038 -0.001619 0.000968 -0.001696 35O 1px -0.034842 0.025624 0.022831 -0.010651 0.037166 -0.022422 35O 1py -0.012987 0.011577 0.006270 -0.002232 0.015173 -0.009310 35O 2pz 0.000340 -0.030241 0.015287 0.014814 -0.025094 0.011259 35O 2px 0.283768 -0.153831 -0.177271 0.067268 -0.249896 0.123624 35O 2py 0.108168 -0.076360 -0.057915 0.017488 -0.113409 0.052508 35O 3pz 0.081123 -0.099282 0.047241 0.043078 -0.243236 0.218812 35O 3px 0.128777 -0.041715 0.043942 -0.011406 -0.086676 -0.153983 35O 3py 0.074106 -0.072606 0.046736 0.073221 -0.171200 0.081005 35O 1dz2 0.009775 -0.004083 -0.003754 0.000172 -0.007536 0.005885 35O 1dxz -0.002439 0.004143 0.002242 -0.003351 0.005532 -0.005667 35O 1dyz 0.006387 0.003080 -0.002346 -0.000251 0.003036 -0.000334 35O 1dx2y2 -0.006030 0.004321 0.001664 -0.003917 0.006111 -0.004080 35O 1dxy -0.005875 0.007714 0.002456 -0.001741 0.011489 -0.008015 35O 2dz2 -0.064182 0.029715 0.028412 -0.007277 0.053515 -0.031318 35O 2dxz 0.012442 -0.026760 -0.008239 0.018098 -0.036521 0.027996 35O 2dyz -0.015252 -0.018254 0.002948 0.004122 -0.020119 0.006192 35O 2dx2y2 0.061795 -0.032152 -0.028948 0.023052 -0.051497 0.026324 35O 2dxy 0.060246 -0.052582 -0.030649 0.013830 -0.082979 0.045523 35O 1f0 -0.002719 0.002354 0.000982 -0.002502 0.004151 -0.002622 35O 1f+1 -0.011751 0.007014 0.007379 -0.002995 0.010338 -0.006817 35O 1f-1 -0.004839 0.002975 0.004343 -0.001275 0.006181 -0.001995 35O 1f+2 0.005152 0.000048 -0.003530 0.000284 -0.001523 -0.000094 35O 1f-2 -0.000552 -0.004518 0.001971 0.002167 -0.007034 0.005045 35O 1f+3 -0.004234 0.004203 0.002889 -0.002817 0.005287 -0.003704 35O 1f-3 -0.012667 0.012490 0.006644 -0.004047 0.019159 -0.012451 768 769 45.32335 45.93895 0.00000 0.00000 -------- -------- 0Rh 1s 0.424019 -0.437378 0Rh 2s 2.460059 -2.547566 0Rh 3s 4.170792 -4.308165 0Rh 4s -7.294434 7.578422 0Rh 5s 3.980944 -4.247873 0Rh 6s -2.144780 2.408332 0Rh 7s 1.783184 -2.511791 0Rh 8s -0.081298 -0.533934 0Rh 1pz -0.000080 -0.000772 0Rh 1px 0.000527 0.002450 0Rh 1py 0.000124 0.000435 0Rh 2pz 0.000398 0.003580 0Rh 2px -0.002532 -0.011368 0Rh 2py -0.000595 -0.002014 0Rh 3pz -0.002421 -0.017172 0Rh 3px 0.014079 0.054600 0Rh 3py 0.003264 0.009589 0Rh 4pz 0.005586 0.033262 0Rh 4px -0.032250 -0.105967 0Rh 4py -0.007631 -0.018176 0Rh 5pz -0.002084 -0.021331 0Rh 5px 0.029164 0.068642 0Rh 5py 0.010638 0.008750 0Rh 6pz -0.131232 -0.411467 0Rh 6px 0.282754 1.233815 0Rh 6py -0.096573 0.302101 0Rh 1dz2 0.001034 -0.000118 0Rh 1dxz 0.001158 0.000170 0Rh 1dyz 0.000429 -0.000182 0Rh 1dx2y2 -0.001800 -0.000004 0Rh 1dxy -0.001111 0.000333 0Rh 2dz2 -0.003636 0.000377 0Rh 2dxz -0.004148 -0.000568 0Rh 2dyz -0.001459 0.000589 0Rh 2dx2y2 0.006476 -0.000038 0Rh 2dxy 0.003918 -0.001168 0Rh 3dz2 0.008536 -0.000747 0Rh 3dxz 0.010026 0.001180 0Rh 3dyz 0.003221 -0.001190 0Rh 3dx2y2 -0.015671 0.000168 0Rh 3dxy -0.008975 0.002508 0Rh 4dz2 -0.022050 0.001128 0Rh 4dxz -0.027105 -0.002504 0Rh 4dyz -0.007194 0.001978 0Rh 4dx2y2 0.042013 0.000168 0Rh 4dxy 0.021296 -0.004496 0Rh 5dz2 0.102565 -0.003280 0Rh 5dxz 0.132294 0.006001 0Rh 5dyz 0.027648 -0.004496 0Rh 5dx2y2 -0.201677 -0.001655 0Rh 5dxy -0.084636 0.008807 0Rh 1f0 0.003583 0.003843 0Rh 1f+1 -0.003249 -0.002834 0Rh 1f-1 -0.001571 0.000157 0Rh 1f+2 -0.005549 -0.004215 0Rh 1f-2 -0.002420 -0.001404 0Rh 1f+3 -0.006089 -0.005318 0Rh 1f-3 -0.003351 -0.003497 1Rh 1s 0.424420 0.436981 1Rh 2s 2.462382 2.545254 1Rh 3s 4.174729 4.304255 1Rh 4s -7.301325 -7.571550 1Rh 5s 3.984720 4.244038 1Rh 6s -2.146825 -2.406173 1Rh 7s 1.785013 2.509619 1Rh 8s -0.080698 0.533863 1Rh 1pz 0.000076 -0.000773 1Rh 1px -0.000528 0.002447 1Rh 1py -0.000119 0.000435 1Rh 2pz -0.000380 0.003584 1Rh 2px 0.002536 -0.011353 1Rh 2py 0.000568 -0.002017 1Rh 3pz 0.002345 -0.017182 1Rh 3px -0.014094 0.054531 1Rh 3py -0.003138 0.009605 1Rh 4pz -0.005465 0.033243 1Rh 4px 0.032279 -0.105835 1Rh 4py 0.007379 -0.018203 1Rh 5pz 0.002084 -0.021229 1Rh 5px -0.029224 0.068513 1Rh 5py -0.010365 0.008778 1Rh 6pz 0.131683 -0.408693 1Rh 6px -0.280568 1.235187 1Rh 6py 0.094905 0.300791 1Rh 1dz2 0.001034 0.000110 1Rh 1dxz 0.001158 -0.000168 1Rh 1dyz 0.000430 0.000182 1Rh 1dx2y2 -0.001797 0.000011 1Rh 1dxy -0.001103 -0.000330 1Rh 2dz2 -0.003637 -0.000352 1Rh 2dxz -0.004149 0.000561 1Rh 2dyz -0.001463 -0.000590 1Rh 2dx2y2 0.006467 0.000013 1Rh 2dxy 0.003888 0.001156 1Rh 3dz2 0.008538 0.000693 1Rh 3dxz 0.010029 -0.001167 1Rh 3dyz 0.003234 0.001192 1Rh 3dx2y2 -0.015651 -0.000111 1Rh 3dxy -0.008911 -0.002482 1Rh 4dz2 -0.022055 -0.001023 1Rh 4dxz -0.027103 0.002489 1Rh 4dyz -0.007234 -0.001989 1Rh 4dx2y2 0.041970 -0.000289 1Rh 4dxy 0.021172 0.004441 1Rh 5dz2 0.102577 0.003039 1Rh 5dxz 0.132168 -0.006068 1Rh 5dyz 0.027788 0.004561 1Rh 5dx2y2 -0.201532 0.002001 1Rh 5dxy -0.084276 -0.008644 1Rh 1f0 -0.003592 0.003824 1Rh 1f+1 0.003238 -0.002842 1Rh 1f-1 0.001577 0.000181 1Rh 1f+2 0.005520 -0.004251 1Rh 1f-2 0.002387 -0.001426 1Rh 1f+3 0.006099 -0.005298 1Rh 1f-3 0.003351 -0.003492 2C 1s 0.000482 -0.001223 2C 2s -0.000538 0.002451 2C 3s -0.076181 -0.007241 2C 4s 0.431997 0.013183 2C 5s -0.085527 -0.137482 2C 1pz -0.006060 0.000128 2C 1px 0.000513 -0.001889 2C 1py -0.004875 -0.000522 2C 2pz 0.180462 0.001776 2C 2px 0.027892 0.011189 2C 2py 0.130421 0.003252 2C 3pz 0.002270 -0.031237 2C 3px 0.077313 0.046820 2C 3py -0.015646 -0.002985 2C 1dz2 0.005775 0.003238 2C 1dxz 0.001738 -0.003812 2C 1dyz 0.010065 -0.001212 2C 1dx2y2 -0.001471 -0.002814 2C 1dxy 0.002561 -0.003435 2C 2dz2 0.038085 -0.008192 2C 2dxz 0.030918 0.008357 2C 2dyz 0.050959 0.013521 2C 2dx2y2 -0.018907 0.016742 2C 2dxy 0.010398 0.010948 2C 1f0 0.003409 -0.002071 2C 1f+1 0.002963 0.002778 2C 1f-1 0.016171 -0.001034 2C 1f+2 -0.008375 0.000487 2C 1f-2 0.007857 0.002944 2C 1f+3 0.001190 0.002301 2C 1f-3 -0.000364 -0.000683 3C 1s 0.000420 -0.000915 3C 2s -0.000417 0.001823 3C 3s -0.075902 -0.002612 3C 4s 0.433504 -0.006437 3C 5s -0.086590 -0.146004 3C 1pz -0.005471 0.000911 3C 1px -0.001415 -0.001542 3C 1py 0.005391 -0.000507 3C 2pz 0.125035 -0.011338 3C 2px 0.064803 0.005730 3C 2py -0.179841 0.009382 3C 3pz -0.052279 -0.032270 3C 3px 0.031048 0.044445 3C 3py -0.026614 0.031170 3C 1dz2 -0.002821 0.001576 3C 1dxz 0.002102 -0.000006 3C 1dyz -0.009336 -0.000884 3C 1dx2y2 -0.004852 -0.003344 3C 1dxy -0.005066 0.005558 3C 2dz2 -0.010573 -0.006145 3C 2dxz 0.019491 -0.010868 3C 2dyz -0.039665 -0.000254 3C 2dx2y2 -0.048033 0.014554 3C 2dxy -0.036846 -0.018028 3C 1f0 -0.009425 -0.000484 3C 1f+1 -0.000508 -0.001093 3C 1f-1 0.000290 0.001566 3C 1f+2 -0.012956 0.003171 3C 1f-2 -0.009184 -0.002282 3C 1f+3 0.007341 0.001870 3C 1f-3 -0.004106 0.002578 4C 1s -0.001858 -0.000351 4C 2s 0.004131 0.000679 4C 3s 0.114513 0.003156 4C 4s -0.513862 -0.033584 4C 5s 0.040027 0.068759 4C 1pz -0.017043 -0.002737 4C 1px -0.004366 0.012062 4C 1py -0.011269 0.002433 4C 2pz 0.138809 0.106267 4C 2px 0.056803 -0.346943 4C 2py 0.101383 -0.064876 4C 3pz 0.254514 -0.063949 4C 3px 0.004559 0.098034 4C 3py 0.176657 0.001003 4C 1dz2 0.004327 0.004399 4C 1dxz 0.005325 -0.008436 4C 1dyz 0.000640 -0.000239 4C 1dx2y2 -0.009588 -0.000409 4C 1dxy -0.002970 -0.006612 4C 2dz2 -0.035949 0.066091 4C 2dxz 0.038257 -0.098540 4C 2dyz -0.096925 0.003783 4C 2dx2y2 -0.044626 -0.015979 4C 2dxy -0.043442 -0.080892 4C 1f0 0.012860 0.002268 4C 1f+1 0.026006 -0.004874 4C 1f-1 0.018214 0.010358 4C 1f+2 -0.027553 0.009374 4C 1f-2 0.006385 -0.015032 4C 1f+3 -0.001524 0.007309 4C 1f-3 0.019987 0.013457 5C 1s -0.001646 -0.000850 5C 2s 0.003693 0.001756 5C 3s 0.110766 -0.001214 5C 4s -0.490689 -0.015188 5C 5s 0.060329 0.028728 5C 1pz -0.010155 -0.003299 5C 1px -0.005631 0.012191 5C 1py 0.017401 0.001752 5C 2pz 0.092670 0.105424 5C 2px 0.049544 -0.362290 5C 2py -0.157084 -0.051096 5C 3pz 0.164909 -0.066243 5C 3px 0.120337 0.068806 5C 3py -0.246050 0.076250 5C 1dz2 0.004381 0.004100 5C 1dxz 0.006908 -0.004776 5C 1dyz 0.000926 -0.004022 5C 1dx2y2 -0.007912 -0.004691 5C 1dxy -0.002777 0.008805 5C 2dz2 0.056753 0.039173 5C 2dxz 0.006553 -0.042892 5C 2dyz 0.101406 -0.047335 5C 2dx2y2 -0.013169 -0.080121 5C 2dxy 0.034708 0.098145 5C 1f0 -0.000761 -0.008753 5C 1f+1 0.015529 0.011660 5C 1f-1 -0.003130 -0.008373 5C 1f+2 -0.012172 -0.001106 5C 1f-2 -0.023682 0.018924 5C 1f+3 0.026835 0.004219 5C 1f-3 -0.023579 -0.007097 6C 1s -0.001686 0.000877 6C 2s 0.003781 -0.001812 6C 3s 0.111387 0.000790 6C 4s -0.495045 0.018216 6C 5s 0.059852 -0.029189 6C 1pz 0.010146 -0.003307 6C 1px 0.005656 0.012169 6C 1py -0.017374 0.001733 6C 2pz -0.091325 0.104510 6C 2px -0.050545 -0.360132 6C 2py 0.155292 -0.050056 6C 3pz -0.163914 -0.067853 6C 3px -0.120134 0.069972 6C 3py 0.245360 0.078212 6C 1dz2 0.004435 -0.004082 6C 1dxz 0.007006 0.004699 6C 1dyz 0.001017 0.003941 6C 1dx2y2 -0.007962 0.004653 6C 1dxy -0.002844 -0.008694 6C 2dz2 0.057090 -0.039451 6C 2dxz 0.007462 0.042207 6C 2dyz 0.101710 0.046925 6C 2dx2y2 -0.013934 0.080421 6C 2dxy 0.033958 -0.097531 6C 1f0 0.000660 -0.008692 6C 1f+1 -0.015601 0.011670 6C 1f-1 0.003101 -0.008361 6C 1f+2 0.012174 -0.001137 6C 1f-2 0.023840 0.018744 6C 1f+3 -0.026920 0.004246 6C 1f-3 0.023706 -0.007203 7C 1s -0.001882 0.000365 7C 2s 0.004182 -0.000706 7C 3s 0.115188 -0.002989 7C 4s -0.518205 0.033168 7C 5s 0.039283 -0.070867 7C 1pz 0.016999 -0.002718 7C 1px 0.004338 0.012049 7C 1py 0.011303 0.002425 7C 2pz -0.137462 0.105794 7C 2px -0.056199 -0.345126 7C 2py -0.100986 -0.064287 7C 3pz -0.253426 -0.064076 7C 3px -0.003687 0.099573 7C 3py -0.175464 0.001480 7C 1dz2 0.004398 -0.004342 7C 1dxz 0.005367 0.008368 7C 1dyz 0.000584 0.000269 7C 1dx2y2 -0.009641 0.000363 7C 1dxy -0.003012 0.006545 7C 2dz2 -0.035289 -0.065726 7C 2dxz 0.038966 0.098050 7C 2dyz -0.097082 -0.004028 7C 2dx2y2 -0.045332 0.015875 7C 2dxy -0.043746 0.080895 7C 1f0 -0.012851 0.002247 7C 1f+1 -0.026093 -0.004884 7C 1f-1 -0.018220 0.010360 7C 1f+2 0.027693 0.009323 7C 1f-2 -0.006411 -0.015023 7C 1f+3 0.001527 0.007255 7C 1f-3 -0.020173 0.013354 8C 1s 0.000408 0.000941 8C 2s -0.000394 -0.001876 8C 3s -0.075937 0.002808 8C 4s 0.433043 0.006015 8C 5s -0.088243 0.150268 8C 1pz 0.005448 0.000911 8C 1px 0.001393 -0.001560 8C 1py -0.005428 -0.000498 8C 2pz -0.124526 -0.011294 8C 2px -0.064497 0.005862 8C 2py 0.179708 0.009250 8C 3pz 0.052169 -0.032615 8C 3px -0.032312 0.044181 8C 3py 0.025543 0.031788 8C 1dz2 -0.002822 -0.001615 8C 1dxz 0.002097 0.000021 8C 1dyz -0.009330 0.000874 8C 1dx2y2 -0.004854 0.003381 8C 1dxy -0.005056 -0.005537 8C 2dz2 -0.010610 0.006470 8C 2dxz 0.019451 0.010782 8C 2dyz -0.039710 0.000570 8C 2dx2y2 -0.047687 -0.014687 8C 2dxy -0.036873 0.017909 8C 1f0 0.009424 -0.000520 8C 1f+1 0.000550 -0.001087 8C 1f-1 -0.000260 0.001538 8C 1f+2 0.012951 0.003156 8C 1f-2 0.009195 -0.002248 8C 1f+3 -0.007309 0.001883 8C 1f-3 0.004124 0.002553 9C 1s 0.000471 0.001260 9C 2s -0.000516 -0.002524 9C 3s -0.076268 0.007431 9C 4s 0.431864 -0.013554 9C 5s -0.087303 0.140435 9C 1pz 0.006106 0.000123 9C 1px -0.000528 -0.001895 9C 1py 0.004832 -0.000534 9C 2pz -0.180297 0.001876 9C 2px -0.027704 0.011257 9C 2py -0.130311 0.003426 9C 3pz -0.000431 -0.031486 9C 3px -0.077964 0.046780 9C 3py 0.013500 -0.003174 9C 1dz2 0.005731 -0.003228 9C 1dxz 0.001709 0.003754 9C 1dyz 0.010094 0.001192 9C 1dx2y2 -0.001494 0.002800 9C 1dxy 0.002553 0.003545 9C 2dz2 0.037476 0.008054 9C 2dxz 0.030485 -0.007963 9C 2dyz 0.051383 -0.013580 9C 2dx2y2 -0.019161 -0.016604 9C 2dxy 0.010657 -0.011645 9C 1f0 -0.003263 -0.002068 9C 1f+1 -0.002894 0.002763 9C 1f-1 -0.016163 -0.001004 9C 1f+2 0.008562 0.000526 9C 1f-2 -0.007764 0.002929 9C 1f+3 -0.001230 0.002318 9C 1f-3 0.000365 -0.000609 10H 1s 0.000324 0.002501 10H 2s 0.006403 -0.024879 10H 3s -0.023114 0.012298 10H 1pz -0.006541 -0.003598 10H 1px -0.000424 -0.000132 10H 1py -0.003583 -0.001387 11H 1s -0.007201 -0.003115 11H 2s -0.002671 0.027065 11H 3s 0.089231 0.022031 11H 1pz -0.003289 0.004147 11H 1px -0.006956 0.002873 11H 1py 0.003580 0.000811 12H 1s -0.004167 -0.004412 12H 2s 0.010055 0.035525 12H 3s 0.048128 0.022965 12H 1pz -0.000285 0.003228 12H 1px -0.004120 0.003565 12H 1py -0.003054 0.004423 13H 1s -0.000379 0.003004 13H 2s 0.009849 -0.027513 13H 3s -0.012550 0.008010 13H 1pz -0.002708 -0.001775 13H 1px -0.000853 -0.000030 13H 1py 0.005687 0.004313 14H 1s -0.003259 -0.004648 14H 2s 0.014781 0.035095 14H 3s 0.032193 0.021302 14H 1pz -0.000265 0.001881 14H 1px -0.003801 0.004467 14H 1py 0.002103 -0.003818 15H 1s -0.007937 -0.002497 15H 2s -0.004292 0.020753 15H 3s 0.095512 0.020991 15H 1pz 0.006787 0.000084 15H 1px -0.002908 0.001656 15H 1py 0.004908 -0.003767 16H 1s -0.012717 0.009069 16H 2s 0.101730 -0.112310 16H 3s -0.023098 0.025306 16H 1pz 0.013121 -0.027664 16H 1px -0.006053 0.011360 16H 1py -0.003240 -0.003584 17H 1s -0.012808 0.009111 17H 2s 0.096123 -0.108684 17H 3s -0.024562 0.027547 17H 1pz -0.006500 0.013327 17H 1px -0.012132 0.025518 17H 1py -0.002633 -0.006785 18H 1s -0.012840 -0.009112 18H 2s 0.095486 0.108373 18H 3s -0.024548 -0.027503 18H 1pz 0.006463 0.013530 18H 1px 0.011889 0.025442 18H 1py 0.003000 -0.006227 19H 1s -0.012721 -0.009077 19H 2s 0.102145 0.112488 19H 3s -0.023072 -0.025231 19H 1pz -0.013199 -0.027571 19H 1px 0.006186 0.011528 19H 1py 0.002826 -0.004155 20H 1s -0.007905 0.002569 20H 2s -0.003899 -0.021405 20H 3s 0.095388 -0.021612 20H 1pz -0.006739 0.000081 20H 1px 0.002985 0.001711 20H 1py -0.004799 -0.003874 21H 1s -0.003331 0.004658 21H 2s 0.014736 -0.035291 21H 3s 0.033358 -0.021898 21H 1pz 0.000270 0.001938 21H 1px 0.003839 0.004505 21H 1py -0.002014 -0.003822 22H 1s -0.000381 -0.002960 22H 2s 0.009774 0.027359 22H 3s -0.013146 -0.008332 22H 1pz 0.002743 -0.001765 22H 1px 0.000903 -0.000067 22H 1py -0.005721 0.004296 23H 1s -0.004300 0.004402 23H 2s 0.009877 -0.035606 23H 3s 0.049983 -0.023540 23H 1pz 0.000123 0.003195 23H 1px 0.004123 0.003516 23H 1py 0.003136 0.004532 24H 1s -0.007118 0.003232 24H 2s -0.002056 -0.027945 24H 3s 0.088337 -0.022617 24H 1pz 0.003158 0.004255 24H 1px 0.006953 0.002990 24H 1py -0.003360 0.000891 25H 1s 0.000339 -0.002447 25H 2s 0.006147 0.024603 25H 3s -0.023550 -0.012616 25H 1pz 0.006577 -0.003530 25H 1px 0.000415 -0.000169 25H 1py 0.003667 -0.001419 26O 1s -0.102935 -0.032424 26O 2s 0.131871 0.042260 26O 3s -0.193441 -0.065949 26O 4s 0.467976 0.062924 26O 5s -0.707463 0.604800 26O 1pz 0.002460 -0.008661 26O 1px 0.005137 0.011750 26O 1py 0.003509 -0.000907 26O 2pz 0.002204 0.007347 26O 2px -0.054962 -0.107642 26O 2py -0.019658 -0.035182 26O 3pz -0.356100 0.263812 26O 3px -0.080886 -0.102781 26O 3py -0.238455 0.115279 26O 1dz2 0.004293 -0.006402 26O 1dxz 0.004710 0.001078 26O 1dyz 0.009967 -0.010922 26O 1dx2y2 -0.001306 -0.000693 26O 1dxy 0.004770 -0.002403 26O 2dz2 -0.029633 0.008577 26O 2dxz -0.013189 0.002616 26O 2dyz -0.035619 0.039996 26O 2dx2y2 0.022149 0.016534 26O 2dxy -0.000259 0.025993 26O 1f0 0.001166 0.000281 26O 1f+1 -0.001235 0.004374 26O 1f-1 -0.001692 0.004364 26O 1f+2 0.002214 -0.001954 26O 1f-2 -0.004934 0.001863 26O 1f+3 0.000624 0.002495 26O 1f-3 0.003274 0.003632 27O 1s -0.095278 -0.040959 27O 2s 0.122093 0.053340 27O 3s -0.181925 -0.082449 27O 4s 0.451466 0.098155 27O 5s -0.639922 0.577072 27O 1pz 0.001407 -0.007304 27O 1px 0.007094 0.010988 27O 1py -0.003659 0.007286 27O 2pz 0.006519 0.020115 27O 2px -0.069556 -0.115854 27O 2py 0.008973 0.005470 27O 3pz -0.178703 0.161932 27O 3px -0.114270 -0.084560 27O 3py 0.314963 -0.215480 27O 1dz2 -0.004048 0.003486 27O 1dxz 0.003487 0.000210 27O 1dyz -0.008383 0.011359 27O 1dx2y2 -0.003104 0.003500 27O 1dxy -0.007599 0.002939 27O 2dz2 -0.000513 -0.025637 27O 2dxz -0.016847 -0.001345 27O 2dyz 0.031520 -0.037755 27O 2dx2y2 0.035290 0.009700 27O 2dxy 0.017625 -0.022581 27O 1f0 0.001033 -0.002944 27O 1f+1 0.002853 0.002848 27O 1f-1 -0.001416 -0.000819 27O 1f+2 0.002222 -0.001171 27O 1f-2 0.004841 -0.002787 27O 1f+3 -0.001338 0.006028 27O 1f-3 -0.002416 -0.002573 28O 1s -0.097385 0.038265 28O 2s 0.124814 -0.049800 28O 3s -0.187131 0.075104 28O 4s 0.464764 -0.077137 28O 5s -0.605467 -0.535742 28O 1pz 0.006567 0.001739 28O 1px -0.005738 0.012907 28O 1py 0.001742 0.006251 28O 2pz -0.045027 0.048414 28O 2px 0.068551 -0.092373 28O 2py -0.000396 -0.005930 28O 3pz -0.318834 -0.157324 28O 3px -0.050341 -0.172112 28O 3py -0.231195 -0.169258 28O 1dz2 0.006300 0.002816 28O 1dxz -0.000619 0.002534 28O 1dyz 0.010679 0.010723 28O 1dx2y2 -0.001893 0.000661 28O 1dxy 0.000868 0.005458 28O 2dz2 -0.021439 -0.013476 28O 2dxz -0.025185 0.013111 28O 2dyz -0.036091 -0.039164 28O 2dx2y2 0.024298 -0.014035 28O 2dxy -0.006727 -0.014362 28O 1f0 -0.000469 -0.002754 28O 1f+1 0.001949 -0.002019 28O 1f-1 -0.006037 -0.004024 28O 1f+2 -0.000604 0.005897 28O 1f-2 0.002037 -0.001024 28O 1f+3 -0.001708 0.001806 28O 1f-3 -0.001465 -0.000567 29O 1s -0.109321 -0.034064 29O 2s 0.140005 0.044155 29O 3s -0.185366 -0.065674 29O 4s 0.350634 0.095144 29O 5s -0.576841 -0.008622 29O 1pz -0.002654 -0.001659 29O 1px 0.006045 0.006177 29O 1py -0.001821 0.004934 29O 2pz 0.019959 -0.007410 29O 2px -0.048249 0.010282 29O 2py 0.011541 -0.034867 29O 3pz -0.055470 -0.007278 29O 3px 0.194330 -0.002804 29O 3py 0.090152 -0.053410 29O 1dz2 -0.001406 0.003133 29O 1dxz -0.003181 0.005714 29O 1dyz -0.000718 0.001374 29O 1dx2y2 0.007076 -0.010684 29O 1dxy 0.001917 -0.003796 29O 2dz2 -0.000817 0.002067 29O 2dxz 0.004121 -0.006566 29O 2dyz 0.000163 -0.001597 29O 2dx2y2 -0.014001 0.023106 29O 2dxy -0.000685 0.001150 29O 1f0 -0.000209 -0.004437 29O 1f+1 0.000989 0.001482 29O 1f-1 0.002370 -0.005035 29O 1f+2 0.000300 0.004068 29O 1f-2 0.001375 -0.002475 29O 1f+3 -0.001613 0.006593 29O 1f-3 0.000458 0.001738 30O 1s -0.102565 0.030365 30O 2s 0.131403 -0.039553 30O 3s -0.193109 0.060303 30O 4s 0.468439 -0.044885 30O 5s -0.708182 -0.589507 30O 1pz 0.003947 -0.000137 30O 1px -0.003968 0.014015 30O 1py -0.003911 -0.002810 30O 2pz -0.024474 0.041539 30O 2px 0.051692 -0.088427 30O 2py 0.020466 -0.036648 30O 3pz -0.234308 -0.090697 30O 3px -0.134364 -0.217183 30O 3py 0.352915 0.191140 30O 1dz2 -0.000557 -0.003716 30O 1dxz 0.001135 0.002046 30O 1dyz -0.011004 -0.009711 30O 1dx2y2 -0.005627 -0.000953 30O 1dxy -0.002509 -0.006699 30O 2dz2 -0.001236 0.015648 30O 2dxz -0.021251 0.008232 30O 2dyz 0.028803 0.044651 30O 2dx2y2 0.028184 -0.000113 30O 2dxy 0.026855 0.006645 30O 1f0 0.004211 -0.000199 30O 1f+1 -0.001135 -0.000433 30O 1f-1 0.002568 0.000837 30O 1f+2 0.003385 0.004771 30O 1f-2 -0.002415 0.004659 30O 1f+3 -0.001328 -0.001372 30O 1f-3 0.001472 0.004249 31O 1s -0.103402 -0.029850 31O 2s 0.132476 0.038883 31O 3s -0.194685 -0.059177 31O 4s 0.471489 0.042405 31O 5s -0.706497 0.587495 31O 1pz -0.003963 -0.000137 31O 1px 0.004044 0.013962 31O 1py 0.003942 -0.002827 31O 2pz 0.024950 0.041190 31O 2px -0.052531 -0.087699 31O 2py -0.021009 -0.036244 31O 3pz 0.235838 -0.092450 31O 3px 0.133137 -0.216075 31O 3py -0.354762 0.193712 31O 1dz2 -0.000544 0.003725 31O 1dxz 0.001194 -0.002097 31O 1dyz -0.010964 0.009679 31O 1dx2y2 -0.005644 0.000979 31O 1dxy -0.002557 0.006766 31O 2dz2 -0.001305 -0.015638 31O 2dxz -0.021644 -0.007890 31O 2dyz 0.028512 -0.044402 31O 2dx2y2 0.028296 -0.000011 31O 2dxy 0.027236 -0.007067 31O 1f0 -0.004243 -0.000170 31O 1f+1 0.001127 -0.000425 31O 1f-1 -0.002576 0.000842 31O 1f+2 -0.003369 0.004777 31O 1f-2 0.002471 0.004610 31O 1f+3 0.001311 -0.001354 31O 1f-3 -0.001440 0.004228 32O 1s -0.109299 0.034075 32O 2s 0.139977 -0.044169 32O 3s -0.185358 0.065692 32O 4s 0.350658 -0.095214 32O 5s -0.576536 0.008955 32O 1pz 0.002622 -0.001739 32O 1px -0.006035 0.006157 32O 1py 0.001802 0.004943 32O 2pz -0.019753 -0.006646 32O 2px 0.048243 0.010494 32O 2py -0.011474 -0.034935 32O 3pz 0.056009 -0.006638 32O 3px -0.194069 -0.002431 32O 3py -0.090239 -0.053365 32O 1dz2 -0.001421 -0.003141 32O 1dxz -0.003179 -0.005704 32O 1dyz -0.000593 -0.001271 32O 1dx2y2 0.007103 0.010681 32O 1dxy 0.001957 0.003833 32O 2dz2 -0.000786 -0.002049 32O 2dxz 0.004147 0.006497 32O 2dyz -0.000350 0.000958 32O 2dx2y2 -0.014079 -0.023142 32O 2dxy -0.000865 -0.001385 32O 1f0 0.000295 -0.004143 32O 1f+1 -0.000951 0.001683 32O 1f-1 -0.002372 -0.005134 32O 1f+2 -0.000207 0.004285 32O 1f-2 -0.001423 -0.002490 32O 1f+3 0.001578 0.006501 32O 1f-3 -0.000435 0.001751 33O 1s -0.097723 -0.037957 33O 2s 0.125247 0.049400 33O 3s -0.187790 -0.074453 33O 4s 0.465981 0.075671 33O 5s -0.603141 0.536109 33O 1pz -0.006583 0.001760 33O 1px 0.005785 0.012897 33O 1py -0.001721 0.006209 33O 2pz 0.045348 0.048170 33O 2px -0.069089 -0.092179 33O 2py 0.000427 -0.005692 33O 3pz 0.319243 -0.158731 33O 3px 0.049152 -0.171530 33O 3py 0.231699 -0.170555 33O 1dz2 0.006292 -0.002803 33O 1dxz -0.000601 -0.002573 33O 1dyz 0.010656 -0.010741 33O 1dx2y2 -0.001904 -0.000647 33O 1dxy 0.000871 -0.005472 33O 2dz2 -0.021438 0.013373 33O 2dxz -0.025392 -0.012883 33O 2dyz -0.035948 0.039216 33O 2dx2y2 0.024449 0.013967 33O 2dxy -0.006816 0.014399 33O 1f0 0.000433 -0.002746 33O 1f+1 -0.001945 -0.001986 33O 1f-1 0.006040 -0.004041 33O 1f+2 0.000624 0.005894 33O 1f-2 -0.002061 -0.001015 33O 1f+3 0.001725 0.001812 33O 1f-3 0.001448 -0.000570 34O 1s -0.095946 0.040701 34O 2s 0.122948 -0.053004 34O 3s -0.183115 0.081973 34O 4s 0.453716 -0.097464 34O 5s -0.641163 -0.577312 34O 1pz -0.001413 -0.007282 34O 1px -0.007101 0.011005 34O 1py 0.003671 0.007237 34O 2pz -0.006505 0.020021 34O 2px 0.069846 -0.115915 34O 2py -0.009117 0.005729 34O 3pz 0.178935 0.162165 34O 3px 0.115057 -0.083788 34O 3py -0.315548 -0.216288 34O 1dz2 -0.004039 -0.003477 34O 1dxz 0.003486 -0.000219 34O 1dyz -0.008380 -0.011356 34O 1dx2y2 -0.003112 -0.003533 34O 1dxy -0.007588 -0.002925 34O 2dz2 -0.000613 0.025596 34O 2dxz -0.016851 0.001373 34O 2dyz 0.031515 0.037736 34O 2dx2y2 0.035405 -0.009588 34O 2dxy 0.017507 0.022537 34O 1f0 -0.001019 -0.002940 34O 1f+1 -0.002870 0.002839 34O 1f-1 0.001425 -0.000813 34O 1f+2 -0.002218 -0.001168 34O 1f-2 -0.004838 -0.002781 34O 1f+3 0.001316 0.006016 34O 1f-3 0.002438 -0.002555 35O 1s -0.103188 0.032193 35O 2s 0.132196 -0.041960 35O 3s -0.193968 0.065474 35O 4s 0.469103 -0.062173 35O 5s -0.705094 -0.602406 35O 1pz -0.002490 -0.008624 35O 1px -0.005152 0.011733 35O 1py -0.003548 -0.000896 35O 2pz -0.001979 0.007267 35O 2px 0.055506 -0.107220 35O 2py 0.020066 -0.035168 35O 3pz 0.356035 0.264035 35O 3px 0.082052 -0.101728 35O 3py 0.239460 0.116264 35O 1dz2 0.004317 0.006411 35O 1dxz 0.004688 -0.001110 35O 1dyz 0.009967 0.010914 35O 1dx2y2 -0.001346 0.000652 35O 1dxy 0.004735 0.002368 35O 2dz2 -0.029823 -0.008684 35O 2dxz -0.013074 -0.002474 35O 2dyz -0.035610 -0.039954 35O 2dx2y2 0.022368 -0.016285 35O 2dxy 0.000038 -0.025814 35O 1f0 -0.001175 0.000261 35O 1f+1 0.001205 0.004343 35O 1f-1 0.001670 0.004349 35O 1f+2 -0.002219 -0.001947 35O 1f-2 0.004941 0.001872 35O 1f+3 -0.000614 0.002476 35O 1f-3 -0.003308 0.003617 0 1 2 3 4 5 -824.22555 -824.22549 -117.54504 -117.54498 -108.87786 -108.87780 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s 0.017569 -0.996252 0.003131 -0.333058 -0.000000 -0.000007 0Rh 2s 0.000094 -0.006073 -0.009998 1.060377 -0.000001 0.000020 0Rh 3s -0.000134 0.006525 -0.000664 0.067585 -0.000001 0.000001 0Rh 4s 0.000181 -0.007718 0.000423 -0.037182 0.000003 0.000002 0Rh 5s -0.000107 0.002807 -0.000174 0.007513 -0.000005 -0.000004 0Rh 6s 0.000093 -0.001357 0.000160 -0.002999 0.000006 0.000005 0Rh 7s -0.000244 0.001176 -0.000478 0.002314 -0.000062 0.000018 0Rh 8s -0.000174 0.000122 -0.000335 0.000246 0.000009 0.000021 0Rh 1pz -0.000000 -0.000000 -0.000001 0.000082 -0.007771 0.549531 0Rh 1px 0.000001 0.000001 0.000004 -0.000234 -0.000363 0.028195 0Rh 1py 0.000000 0.000000 0.000001 -0.000070 -0.011671 0.822255 0Rh 2pz 0.000001 -0.000001 0.000002 0.000002 -0.000217 0.015142 0Rh 2px -0.000004 0.000001 -0.000007 -0.000005 -0.000010 0.000776 0Rh 2py -0.000001 0.000000 -0.000001 -0.000002 -0.000325 0.022650 0Rh 3pz -0.000006 0.000003 -0.000011 0.000004 0.000110 -0.006649 0Rh 3px 0.000019 -0.000008 0.000037 -0.000009 0.000002 -0.000333 0Rh 3py 0.000004 -0.000001 0.000007 -0.000000 0.000163 -0.009934 0Rh 4pz 0.000012 -0.000006 0.000023 -0.000008 -0.000112 0.004749 0Rh 4px -0.000041 0.000014 -0.000080 0.000019 0.000002 0.000223 0Rh 4py -0.000007 0.000002 -0.000014 0.000001 -0.000162 0.007084 0Rh 5pz -0.000008 0.000003 -0.000018 0.000003 0.000112 -0.002199 0Rh 5px 0.000033 -0.000005 0.000068 0.000001 -0.000008 -0.000083 0Rh 5py 0.000006 0.000002 0.000012 0.000005 0.000159 -0.003265 0Rh 6pz -0.000138 0.000082 -0.000268 0.000171 -0.000570 0.000966 0Rh 6px 0.000390 -0.000271 0.000758 -0.000561 0.000129 -0.000129 0Rh 6py 0.000055 -0.000109 0.000106 -0.000217 -0.000733 0.001309 0Rh 1dz2 0.000000 0.000000 0.000000 0.000013 -0.000002 0.000006 0Rh 1dxz 0.000000 0.000000 0.000000 0.000017 0.000003 -0.000009 0Rh 1dyz 0.000000 0.000000 -0.000000 0.000013 -0.000001 0.000002 0Rh 1dx2y2 -0.000000 -0.000000 -0.000000 -0.000032 -0.000001 0.000003 0Rh 1dxy -0.000000 -0.000000 -0.000000 -0.000009 0.000004 -0.000013 0Rh 2dz2 -0.000001 -0.000001 -0.000001 -0.000009 0.000007 -0.000006 0Rh 2dxz -0.000001 -0.000001 -0.000001 -0.000010 -0.000011 0.000009 0Rh 2dyz -0.000000 -0.000000 -0.000000 -0.000008 0.000004 -0.000001 0Rh 2dx2y2 0.000001 0.000001 0.000001 0.000017 0.000002 -0.000003 0Rh 2dxy 0.000000 0.000001 0.000001 0.000005 -0.000017 0.000014 0Rh 3dz2 0.000002 0.000002 0.000002 0.000008 -0.000018 0.000008 0Rh 3dxz 0.000002 0.000002 0.000003 0.000009 0.000027 -0.000013 0Rh 3dyz 0.000000 0.000001 0.000000 0.000006 -0.000009 0.000001 0Rh 3dx2y2 -0.000003 -0.000004 -0.000004 -0.000015 -0.000005 0.000003 0Rh 3dxy -0.000001 -0.000003 -0.000002 -0.000007 0.000042 -0.000021 0Rh 4dz2 -0.000005 -0.000006 -0.000009 -0.000013 0.000033 -0.000009 0Rh 4dxz -0.000007 -0.000007 -0.000012 -0.000014 -0.000051 0.000012 0Rh 4dyz -0.000001 -0.000002 -0.000002 -0.000007 0.000017 0.000001 0Rh 4dx2y2 0.000011 0.000011 0.000017 0.000024 0.000009 -0.000001 0Rh 4dxy 0.000004 0.000007 0.000007 0.000013 -0.000079 0.000021 0Rh 5dz2 0.000026 0.000029 0.000049 0.000055 -0.000048 -0.000018 0Rh 5dxz 0.000036 0.000035 0.000068 0.000065 0.000066 0.000040 0Rh 5dyz 0.000006 0.000009 0.000011 0.000018 -0.000027 -0.000020 0Rh 5dx2y2 -0.000054 -0.000055 -0.000100 -0.000103 -0.000008 -0.000014 0Rh 5dxy -0.000020 -0.000025 -0.000036 -0.000047 0.000105 0.000051 0Rh 1f0 0.000002 -0.000000 0.000004 -0.000000 -0.000001 -0.000015 0Rh 1f+1 -0.000002 -0.000000 -0.000003 -0.000000 -0.000001 -0.000007 0Rh 1f-1 -0.000000 -0.000000 -0.000001 -0.000001 -0.000005 -0.000044 0Rh 1f+2 -0.000003 -0.000000 -0.000005 -0.000001 0.000000 0.000011 0Rh 1f-2 -0.000001 -0.000000 -0.000002 -0.000000 -0.000002 -0.000024 0Rh 1f+3 -0.000003 -0.000000 -0.000006 -0.000000 -0.000001 0.000003 0Rh 1f-3 -0.000002 0.000000 -0.000004 0.000000 -0.000000 -0.000007 1Rh 1s -0.996252 -0.017573 -0.333058 -0.003136 -0.000007 -0.000000 1Rh 2s -0.006073 -0.000120 1.060377 0.009957 0.000021 -0.000001 1Rh 3s 0.006525 0.000096 0.067585 0.000607 0.000001 -0.000001 1Rh 4s -0.007719 -0.000091 -0.037183 -0.000277 0.000002 0.000004 1Rh 5s 0.002809 -0.000008 0.007515 -0.000033 -0.000004 -0.000005 1Rh 6s -0.001359 0.000045 -0.003002 0.000103 0.000005 0.000006 1Rh 7s 0.001183 -0.000203 0.002322 -0.000435 0.000020 -0.000062 1Rh 8s 0.000128 -0.000169 0.000252 -0.000330 0.000021 0.000009 1Rh 1pz 0.000000 0.000000 -0.000081 -0.000000 -0.551399 -0.007843 1Rh 1px -0.000001 -0.000001 0.000234 0.000001 -0.028752 -0.000446 1Rh 1py -0.000000 -0.000000 0.000070 0.000000 -0.820984 -0.011622 1Rh 2pz 0.000001 -0.000001 -0.000002 -0.000002 -0.015194 -0.000213 1Rh 2px -0.000001 0.000004 0.000005 0.000007 -0.000791 -0.000013 1Rh 2py -0.000000 0.000001 0.000002 0.000001 -0.022616 -0.000316 1Rh 3pz -0.000003 0.000006 -0.000004 0.000011 0.006672 0.000079 1Rh 3px 0.000008 -0.000019 0.000010 -0.000037 0.000340 0.000007 1Rh 3py 0.000001 -0.000003 0.000001 -0.000007 0.009920 0.000118 1Rh 4pz 0.000006 -0.000011 0.000008 -0.000023 -0.004766 -0.000023 1Rh 4px -0.000016 0.000040 -0.000020 0.000079 -0.000229 -0.000008 1Rh 4py -0.000002 0.000007 -0.000002 0.000014 -0.007075 -0.000038 1Rh 5pz -0.000004 0.000008 -0.000004 0.000017 0.002209 -0.000049 1Rh 5px 0.000006 -0.000033 -0.000000 -0.000068 0.000086 0.000010 1Rh 5py -0.000001 -0.000006 -0.000005 -0.000012 0.003264 -0.000066 1Rh 6pz -0.000086 0.000134 -0.000175 0.000264 -0.000986 0.000542 1Rh 6px 0.000285 -0.000380 0.000576 -0.000748 0.000129 -0.000126 1Rh 6py 0.000110 -0.000051 0.000217 -0.000102 -0.001329 0.000696 1Rh 1dz2 0.000000 0.000000 0.000013 0.000000 0.000006 -0.000002 1Rh 1dxz 0.000000 0.000000 0.000017 0.000000 -0.000009 0.000003 1Rh 1dyz 0.000000 0.000000 0.000013 0.000000 0.000002 -0.000001 1Rh 1dx2y2 -0.000000 -0.000000 -0.000032 -0.000001 0.000003 -0.000000 1Rh 1dxy -0.000000 -0.000000 -0.000009 -0.000000 -0.000013 0.000004 1Rh 2dz2 -0.000001 -0.000001 -0.000009 -0.000001 -0.000006 0.000007 1Rh 2dxz -0.000001 -0.000001 -0.000010 -0.000001 0.000009 -0.000011 1Rh 2dyz -0.000000 -0.000000 -0.000008 -0.000000 -0.000001 0.000004 1Rh 2dx2y2 0.000001 0.000001 0.000017 0.000002 -0.000003 0.000002 1Rh 2dxy 0.000001 0.000000 0.000005 0.000001 0.000015 -0.000017 1Rh 3dz2 0.000002 0.000002 0.000008 0.000002 0.000009 -0.000017 1Rh 3dxz 0.000002 0.000002 0.000008 0.000004 -0.000014 0.000027 1Rh 3dyz 0.000001 0.000000 0.000006 0.000001 0.000001 -0.000009 1Rh 3dx2y2 -0.000004 -0.000003 -0.000015 -0.000005 0.000003 -0.000005 1Rh 3dxy -0.000003 -0.000001 -0.000007 -0.000002 -0.000022 0.000042 1Rh 4dz2 -0.000006 -0.000005 -0.000013 -0.000009 -0.000010 0.000033 1Rh 4dxz -0.000007 -0.000008 -0.000014 -0.000012 0.000013 -0.000050 1Rh 4dyz -0.000002 -0.000001 -0.000007 -0.000002 0.000000 0.000017 1Rh 4dx2y2 0.000011 0.000011 0.000024 0.000018 -0.000002 0.000009 1Rh 4dxy 0.000007 0.000004 0.000013 0.000007 0.000023 -0.000078 1Rh 5dz2 0.000028 0.000027 0.000054 0.000050 -0.000016 -0.000048 1Rh 5dxz 0.000033 0.000038 0.000064 0.000069 0.000038 0.000067 1Rh 5dyz 0.000008 0.000006 0.000018 0.000011 -0.000019 -0.000027 1Rh 5dx2y2 -0.000053 -0.000055 -0.000101 -0.000102 -0.000014 -0.000009 1Rh 5dxy -0.000025 -0.000020 -0.000046 -0.000037 0.000048 0.000106 1Rh 1f0 0.000000 -0.000002 0.000000 -0.000004 0.000015 0.000002 1Rh 1f+1 0.000000 0.000002 0.000000 0.000003 0.000007 0.000001 1Rh 1f-1 0.000000 0.000000 0.000001 0.000001 0.000044 0.000006 1Rh 1f+2 0.000000 0.000003 0.000001 0.000005 -0.000011 -0.000000 1Rh 1f-2 0.000000 0.000001 0.000000 0.000002 0.000024 0.000003 1Rh 1f+3 0.000000 0.000003 0.000000 0.000006 -0.000003 0.000000 1Rh 1f-3 -0.000000 0.000002 -0.000000 0.000003 0.000007 0.000000 2C 1s 0.000000 0.000000 0.000000 0.000001 0.000002 -0.000001 2C 2s 0.000000 -0.000001 -0.000000 -0.000002 -0.000007 0.000003 2C 3s -0.000023 -0.000020 -0.000047 -0.000042 0.000015 0.000005 2C 4s 0.000137 0.000136 0.000285 0.000281 0.000051 -0.000083 2C 5s -0.000123 -0.000057 -0.000267 -0.000134 -0.000497 0.000931 2C 1pz -0.000001 -0.000001 -0.000002 -0.000002 0.000000 -0.000004 2C 1px -0.000000 0.000001 -0.000000 0.000002 -0.000001 0.000003 2C 1py -0.000001 -0.000001 -0.000002 -0.000002 -0.000000 0.000002 2C 2pz 0.000058 0.000060 0.000124 0.000124 0.000119 -0.000065 2C 2px 0.000010 0.000004 0.000021 0.000011 0.000063 -0.000036 2C 2py 0.000042 0.000042 0.000088 0.000087 0.000074 -0.000059 2C 3pz -0.000021 -0.000005 -0.000047 -0.000014 -0.000102 0.000190 2C 3px 0.000031 0.000003 0.000058 0.000004 -0.000159 -0.000050 2C 3py -0.000013 -0.000013 -0.000030 -0.000028 -0.000047 0.000076 2C 1dz2 0.000003 0.000001 0.000005 0.000002 -0.000002 -0.000006 2C 1dxz -0.000001 0.000002 -0.000001 0.000003 0.000006 0.000004 2C 1dyz 0.000003 0.000004 0.000006 0.000007 0.000000 0.000005 2C 1dx2y2 -0.000001 0.000000 -0.000002 0.000001 0.000005 0.000002 2C 1dxy -0.000000 0.000002 -0.000000 0.000004 0.000004 0.000005 2C 2dz2 0.000010 0.000016 0.000023 0.000032 0.000033 -0.000002 2C 2dxz 0.000013 0.000009 0.000026 0.000018 -0.000026 0.000000 2C 2dyz 0.000020 0.000013 0.000042 0.000029 0.000076 -0.000074 2C 2dx2y2 -0.000003 -0.000013 -0.000008 -0.000025 -0.000024 -0.000013 2C 2dxy 0.000006 -0.000000 0.000011 0.000000 0.000013 -0.000030 2C 1f0 0.000001 0.000002 0.000001 0.000003 -0.000003 0.000005 2C 1f+1 0.000002 0.000001 0.000004 0.000002 -0.000003 0.000002 2C 1f-1 0.000004 0.000005 0.000009 0.000010 0.000004 -0.000000 2C 1f+2 -0.000002 -0.000003 -0.000005 -0.000006 -0.000000 0.000001 2C 1f-2 0.000003 0.000002 0.000006 0.000004 -0.000006 -0.000004 2C 1f+3 0.000001 -0.000000 0.000002 -0.000000 -0.000001 -0.000003 2C 1f-3 0.000000 0.000000 0.000000 0.000001 0.000002 0.000001 3C 1s 0.000000 0.000000 0.000000 0.000000 -0.000002 0.000001 3C 2s -0.000000 -0.000001 -0.000000 -0.000001 0.000005 -0.000004 3C 3s -0.000021 -0.000021 -0.000044 -0.000043 -0.000017 0.000007 3C 4s 0.000133 0.000141 0.000276 0.000287 0.000027 0.000007 3C 5s -0.000127 -0.000050 -0.000276 -0.000122 -0.000004 -0.000278 3C 1pz -0.000001 -0.000002 -0.000002 -0.000003 -0.000006 0.000009 3C 1px -0.000000 0.000000 -0.000001 0.000000 -0.000000 0.000001 3C 1py 0.000001 0.000001 0.000002 0.000002 -0.000002 0.000003 3C 2pz 0.000037 0.000044 0.000078 0.000089 0.000023 -0.000046 3C 2px 0.000021 0.000018 0.000044 0.000040 -0.000019 -0.000014 3C 2py -0.000055 -0.000061 -0.000117 -0.000126 0.000020 -0.000040 3C 3pz -0.000031 -0.000012 -0.000062 -0.000026 0.000033 -0.000070 3C 3px 0.000016 -0.000011 0.000028 -0.000023 0.000102 0.000048 3C 3py 0.000016 -0.000002 0.000036 0.000001 0.000041 0.000065 3C 1dz2 -0.000000 -0.000001 -0.000001 -0.000003 -0.000004 0.000006 3C 1dxz 0.000001 0.000001 0.000001 0.000001 -0.000002 0.000002 3C 1dyz -0.000003 -0.000003 -0.000006 -0.000005 0.000000 -0.000002 3C 1dx2y2 -0.000002 -0.000001 -0.000005 -0.000001 -0.000006 0.000002 3C 1dxy 0.000000 -0.000003 -0.000000 -0.000006 0.000002 0.000005 3C 2dz2 -0.000004 -0.000001 -0.000009 -0.000003 0.000031 -0.000039 3C 2dxz 0.000005 0.000011 0.000010 0.000021 0.000021 -0.000015 3C 2dyz -0.000012 -0.000012 -0.000027 -0.000027 -0.000005 -0.000000 3C 2dx2y2 -0.000013 -0.000021 -0.000027 -0.000041 0.000031 -0.000003 3C 2dxy -0.000017 -0.000007 -0.000035 -0.000016 -0.000008 -0.000013 3C 1f0 -0.000003 -0.000003 -0.000005 -0.000005 0.000003 0.000002 3C 1f+1 -0.000000 0.000000 -0.000000 0.000001 0.000001 -0.000006 3C 1f-1 0.000000 -0.000000 0.000001 -0.000000 -0.000007 0.000004 3C 1f+2 -0.000003 -0.000004 -0.000006 -0.000009 0.000000 -0.000002 3C 1f-2 -0.000003 -0.000002 -0.000007 -0.000005 -0.000001 0.000002 3C 1f+3 0.000003 0.000002 0.000006 0.000005 0.000005 0.000003 3C 1f-3 -0.000001 -0.000002 -0.000002 -0.000004 0.000004 0.000000 4C 1s 0.000000 0.000000 0.000001 0.000001 0.000004 -0.000003 4C 2s -0.000001 -0.000001 -0.000002 -0.000003 -0.000012 0.000010 4C 3s 0.000033 0.000032 0.000072 0.000069 0.000350 -0.000332 4C 4s -0.000129 -0.000112 -0.000274 -0.000240 -0.001555 0.001509 4C 5s 0.000059 0.000025 0.000126 0.000058 -0.000875 0.000727 4C 1pz -0.000006 -0.000004 -0.000011 -0.000008 0.000028 -0.000011 4C 1px 0.000003 -0.000005 0.000005 -0.000009 -0.000024 -0.000034 4C 1py -0.000002 -0.000004 -0.000005 -0.000007 0.000011 -0.000023 4C 2pz 0.000084 0.000038 0.000172 0.000081 -0.000378 0.000065 4C 2px -0.000063 0.000101 -0.000118 0.000198 0.000480 0.000607 4C 2py 0.000026 0.000059 0.000058 0.000120 -0.000076 0.000297 4C 3pz 0.000016 0.000048 0.000013 0.000076 -0.001034 0.001081 4C 3px 0.000021 -0.000028 0.000040 -0.000059 -0.000110 0.000291 4C 3py 0.000024 0.000023 0.000036 0.000032 -0.000785 0.000856 4C 1dz2 0.000002 0.000000 0.000004 0.000001 0.000023 -0.000025 4C 1dxz -0.000001 0.000002 -0.000002 0.000004 0.000026 -0.000015 4C 1dyz 0.000001 0.000001 0.000003 0.000003 0.000018 -0.000013 4C 1dx2y2 -0.000001 -0.000001 -0.000002 -0.000001 -0.000030 0.000029 4C 1dxy -0.000001 0.000002 -0.000002 0.000003 -0.000008 0.000009 4C 2dz2 -0.000001 -0.000033 -0.000005 -0.000068 -0.000130 -0.000068 4C 2dxz -0.000021 0.000024 -0.000043 0.000047 0.000215 0.000060 4C 2dyz -0.000030 -0.000034 -0.000066 -0.000072 -0.000201 0.000145 4C 2dx2y2 -0.000005 0.000004 -0.000010 0.000008 -0.000141 0.000171 4C 2dxy -0.000028 0.000009 -0.000058 0.000017 0.000014 0.000258 4C 1f0 0.000004 0.000003 0.000007 0.000005 0.000026 -0.000007 4C 1f+1 0.000005 0.000007 0.000010 0.000015 0.000031 -0.000037 4C 1f-1 0.000008 0.000003 0.000015 0.000006 -0.000021 -0.000011 4C 1f+2 -0.000005 -0.000009 -0.000010 -0.000017 -0.000053 -0.000008 4C 1f-2 -0.000002 0.000005 -0.000003 0.000011 0.000016 0.000021 4C 1f+3 0.000001 -0.000002 0.000002 -0.000003 -0.000033 -0.000021 4C 1f-3 0.000008 0.000002 0.000015 0.000003 0.000001 -0.000060 5C 1s 0.000000 0.000000 0.000001 0.000001 -0.000002 0.000001 5C 2s -0.000001 -0.000001 -0.000002 -0.000003 0.000005 -0.000004 5C 3s 0.000031 0.000033 0.000067 0.000069 -0.000133 0.000132 5C 4s -0.000116 -0.000115 -0.000248 -0.000242 0.000574 -0.000570 5C 5s 0.000054 0.000040 0.000116 0.000087 0.000444 -0.000356 5C 1pz -0.000004 -0.000002 -0.000007 -0.000004 -0.000005 -0.000004 5C 1px 0.000002 -0.000005 0.000004 -0.000010 0.000011 0.000012 5C 1py 0.000005 0.000004 0.000010 0.000009 0.000016 -0.000012 5C 2pz 0.000064 0.000015 0.000128 0.000032 0.000109 0.000037 5C 2px -0.000065 0.000106 -0.000120 0.000209 -0.000207 -0.000226 5C 2py -0.000077 -0.000054 -0.000158 -0.000111 -0.000200 0.000113 5C 3pz 0.000004 0.000040 -0.000003 0.000068 0.000073 -0.000138 5C 3px 0.000036 0.000005 0.000066 0.000001 0.000047 -0.000206 5C 3py -0.000008 -0.000052 0.000001 -0.000084 -0.000481 0.000578 5C 1dz2 0.000001 -0.000001 0.000001 -0.000002 -0.000006 0.000011 5C 1dxz -0.000000 0.000002 -0.000000 0.000004 -0.000017 0.000006 5C 1dyz -0.000002 -0.000000 -0.000004 -0.000001 0.000006 -0.000007 5C 1dx2y2 -0.000001 -0.000000 -0.000003 -0.000000 0.000009 -0.000010 5C 1dxy 0.000001 -0.000002 0.000002 -0.000005 0.000006 -0.000010 5C 2dz2 0.000021 0.000003 0.000042 0.000007 -0.000033 0.000032 5C 2dxz -0.000017 0.000003 -0.000034 0.000006 -0.000011 0.000042 5C 2dyz 0.000018 0.000041 0.000042 0.000086 -0.000120 0.000060 5C 2dx2y2 -0.000010 0.000027 -0.000017 0.000056 0.000016 -0.000093 5C 2dxy 0.000039 -0.000006 0.000081 -0.000011 0.000091 0.000096 5C 1f0 -0.000003 0.000001 -0.000005 0.000002 -0.000021 -0.000005 5C 1f+1 0.000006 0.000001 0.000012 0.000002 0.000004 0.000021 5C 1f-1 -0.000003 0.000001 -0.000005 0.000002 0.000001 -0.000006 5C 1f+2 -0.000004 -0.000003 -0.000008 -0.000006 0.000002 0.000011 5C 1f-2 -0.000001 -0.000010 -0.000003 -0.000020 0.000021 0.000003 5C 1f+3 0.000008 0.000006 0.000015 0.000012 -0.000002 0.000014 5C 1f-3 -0.000007 -0.000004 -0.000014 -0.000008 0.000011 -0.000013 6C 1s 0.000000 0.000000 0.000001 0.000001 0.000001 -0.000002 6C 2s -0.000001 -0.000001 -0.000003 -0.000002 -0.000005 0.000005 6C 3s 0.000032 0.000033 0.000068 0.000069 0.000134 -0.000130 6C 4s -0.000111 -0.000121 -0.000238 -0.000256 -0.000583 0.000562 6C 5s 0.000038 0.000055 0.000085 0.000117 -0.000367 0.000435 6C 1pz 0.000002 0.000004 0.000003 0.000007 0.000004 0.000005 6C 1px 0.000005 -0.000002 0.000010 -0.000004 -0.000012 -0.000011 6C 1py -0.000004 -0.000005 -0.000008 -0.000011 0.000012 -0.000016 6C 2pz -0.000012 -0.000064 -0.000029 -0.000127 -0.000034 -0.000112 6C 2px -0.000108 0.000060 -0.000210 0.000115 0.000219 0.000215 6C 2py 0.000051 0.000078 0.000108 0.000159 -0.000119 0.000198 6C 3pz -0.000040 -0.000005 -0.000068 0.000003 0.000141 -0.000071 6C 3px -0.000004 -0.000037 0.000000 -0.000067 0.000207 -0.000042 6C 3py 0.000052 0.000009 0.000085 -0.000001 -0.000591 0.000466 6C 1dz2 -0.000001 0.000001 -0.000002 0.000001 0.000012 -0.000006 6C 1dxz 0.000002 -0.000000 0.000004 0.000000 0.000007 -0.000017 6C 1dyz -0.000000 -0.000002 -0.000001 -0.000004 -0.000007 0.000006 6C 1dx2y2 0.000000 -0.000001 -0.000000 -0.000003 -0.000011 0.000009 6C 1dxy -0.000002 0.000001 -0.000005 0.000001 -0.000010 0.000006 6C 2dz2 0.000002 0.000021 0.000006 0.000043 0.000032 -0.000032 6C 2dxz 0.000004 -0.000016 0.000007 -0.000033 0.000043 -0.000011 6C 2dyz 0.000041 0.000020 0.000086 0.000044 0.000063 -0.000119 6C 2dx2y2 0.000027 -0.000010 0.000056 -0.000017 -0.000093 0.000014 6C 2dxy -0.000008 0.000039 -0.000012 0.000080 0.000093 0.000094 6C 1f0 -0.000001 0.000003 -0.000002 0.000005 0.000004 0.000022 6C 1f+1 -0.000001 -0.000006 -0.000002 -0.000012 -0.000021 -0.000004 6C 1f-1 -0.000001 0.000003 -0.000002 0.000005 0.000006 -0.000000 6C 1f+2 0.000003 0.000004 0.000006 0.000008 -0.000011 -0.000002 6C 1f-2 0.000010 0.000002 0.000020 0.000004 -0.000002 -0.000021 6C 1f+3 -0.000006 -0.000008 -0.000012 -0.000015 -0.000014 0.000001 6C 1f-3 0.000004 0.000007 0.000008 0.000015 0.000013 -0.000011 7C 1s 0.000000 0.000000 0.000001 0.000001 -0.000003 0.000004 7C 2s -0.000001 -0.000001 -0.000003 -0.000002 0.000011 -0.000012 7C 3s 0.000031 0.000035 0.000068 0.000073 -0.000342 0.000340 7C 4s -0.000109 -0.000134 -0.000237 -0.000280 0.001554 -0.001506 7C 5s 0.000023 0.000061 0.000054 0.000128 0.000752 -0.000855 7C 1pz 0.000004 0.000006 0.000008 0.000011 0.000012 -0.000027 7C 1px 0.000005 -0.000002 0.000009 -0.000004 0.000033 0.000025 7C 1py 0.000004 0.000002 0.000007 0.000005 0.000023 -0.000011 7C 2pz -0.000035 -0.000085 -0.000078 -0.000173 -0.000077 0.000376 7C 2px -0.000102 0.000059 -0.000199 0.000114 -0.000595 -0.000497 7C 2py -0.000058 -0.000029 -0.000118 -0.000060 -0.000301 0.000069 7C 3pz -0.000047 -0.000017 -0.000075 -0.000014 -0.001111 0.001001 7C 3px 0.000029 -0.000021 0.000061 -0.000040 -0.000295 0.000102 7C 3py -0.000021 -0.000025 -0.000030 -0.000036 -0.000882 0.000761 7C 1dz2 0.000000 0.000002 0.000001 0.000004 -0.000025 0.000022 7C 1dxz 0.000002 -0.000001 0.000004 -0.000002 -0.000016 0.000025 7C 1dyz 0.000001 0.000001 0.000003 0.000003 -0.000014 0.000018 7C 1dx2y2 -0.000001 -0.000001 -0.000001 -0.000002 0.000030 -0.000029 7C 1dxy 0.000002 -0.000001 0.000003 -0.000002 0.000009 -0.000007 7C 2dz2 -0.000033 -0.000002 -0.000068 -0.000007 -0.000066 -0.000131 7C 2dxz 0.000025 -0.000020 0.000048 -0.000041 0.000053 0.000216 7C 2dyz -0.000033 -0.000032 -0.000071 -0.000068 0.000150 -0.000197 7C 2dx2y2 0.000004 -0.000005 0.000008 -0.000010 0.000175 -0.000136 7C 2dxy 0.000010 -0.000028 0.000018 -0.000058 0.000258 0.000022 7C 1f0 -0.000003 -0.000004 -0.000005 -0.000008 0.000008 -0.000026 7C 1f+1 -0.000007 -0.000005 -0.000014 -0.000010 0.000037 -0.000030 7C 1f-1 -0.000003 -0.000008 -0.000006 -0.000015 0.000010 0.000022 7C 1f+2 0.000009 0.000005 0.000017 0.000010 0.000007 0.000053 7C 1f-2 -0.000005 0.000001 -0.000011 0.000003 -0.000021 -0.000017 7C 1f+3 0.000002 -0.000001 0.000003 -0.000002 0.000020 0.000034 7C 1f-3 -0.000001 -0.000008 -0.000003 -0.000015 0.000061 0.000000 8C 1s 0.000000 0.000000 0.000000 0.000000 0.000001 -0.000002 8C 2s -0.000001 -0.000000 -0.000001 -0.000000 -0.000004 0.000005 8C 3s -0.000020 -0.000022 -0.000043 -0.000045 0.000008 -0.000017 8C 4s 0.000136 0.000138 0.000282 0.000282 0.000005 0.000028 8C 5s -0.000045 -0.000131 -0.000116 -0.000281 -0.000281 -0.000011 8C 1pz 0.000001 0.000001 0.000003 0.000002 -0.000009 0.000006 8C 1px -0.000000 0.000000 -0.000000 0.000001 -0.000001 -0.000000 8C 1py -0.000001 -0.000001 -0.000002 -0.000002 -0.000003 0.000002 8C 2pz -0.000043 -0.000039 -0.000087 -0.000080 0.000047 -0.000021 8C 2px -0.000017 -0.000021 -0.000039 -0.000044 0.000013 0.000019 8C 2py 0.000059 0.000057 0.000124 0.000119 0.000040 -0.000018 8C 3pz 0.000011 0.000031 0.000025 0.000062 0.000070 -0.000032 8C 3px 0.000011 -0.000016 0.000022 -0.000028 -0.000044 -0.000104 8C 3py 0.000003 -0.000016 -0.000001 -0.000037 -0.000064 -0.000043 8C 1dz2 -0.000001 -0.000001 -0.000003 -0.000001 0.000006 -0.000003 8C 1dxz 0.000001 0.000001 0.000001 0.000001 0.000002 -0.000001 8C 1dyz -0.000003 -0.000003 -0.000005 -0.000006 -0.000002 0.000000 8C 1dx2y2 -0.000000 -0.000002 -0.000001 -0.000005 0.000002 -0.000006 8C 1dxy -0.000003 -0.000000 -0.000006 -0.000000 0.000004 0.000002 8C 2dz2 -0.000001 -0.000004 -0.000002 -0.000009 -0.000040 0.000030 8C 2dxz 0.000010 0.000005 0.000021 0.000011 -0.000016 0.000021 8C 2dyz -0.000012 -0.000013 -0.000027 -0.000028 0.000000 -0.000005 8C 2dx2y2 -0.000020 -0.000013 -0.000041 -0.000028 -0.000004 0.000031 8C 2dxy -0.000007 -0.000018 -0.000016 -0.000035 -0.000012 -0.000008 8C 1f0 0.000002 0.000003 0.000005 0.000006 -0.000002 -0.000004 8C 1f+1 -0.000000 0.000000 -0.000001 0.000000 0.000006 -0.000001 8C 1f-1 0.000000 -0.000000 0.000000 -0.000001 -0.000004 0.000007 8C 1f+2 0.000004 0.000003 0.000009 0.000006 0.000002 -0.000000 8C 1f-2 0.000002 0.000003 0.000005 0.000007 -0.000002 0.000001 8C 1f+3 -0.000002 -0.000003 -0.000004 -0.000006 -0.000002 -0.000006 8C 1f-3 0.000002 0.000001 0.000004 0.000002 -0.000000 -0.000004 9C 1s 0.000000 0.000000 0.000001 0.000000 -0.000001 0.000002 9C 2s -0.000001 -0.000000 -0.000002 -0.000000 0.000004 -0.000007 9C 3s -0.000019 -0.000023 -0.000041 -0.000048 0.000004 0.000016 9C 4s 0.000132 0.000142 0.000275 0.000291 -0.000084 0.000046 9C 5s -0.000052 -0.000126 -0.000128 -0.000272 0.000948 -0.000463 9C 1pz 0.000001 0.000001 0.000002 0.000002 0.000004 -0.000000 9C 1px -0.000001 -0.000000 -0.000002 0.000000 -0.000003 0.000001 9C 1py 0.000001 0.000001 0.000002 0.000002 -0.000002 0.000000 9C 2pz -0.000058 -0.000060 -0.000122 -0.000126 0.000066 -0.000114 9C 2px -0.000004 -0.000010 -0.000011 -0.000021 0.000037 -0.000062 9C 2py -0.000040 -0.000043 -0.000085 -0.000090 0.000062 -0.000073 9C 3pz 0.000005 0.000022 0.000014 0.000048 -0.000192 0.000094 9C 3px -0.000002 -0.000032 -0.000003 -0.000059 0.000047 0.000161 9C 3py 0.000012 0.000013 0.000027 0.000029 -0.000079 0.000047 9C 1dz2 0.000001 0.000003 0.000002 0.000005 -0.000006 -0.000002 9C 1dxz 0.000002 -0.000000 0.000003 -0.000001 0.000004 0.000006 9C 1dyz 0.000003 0.000003 0.000007 0.000006 0.000005 0.000000 9C 1dx2y2 0.000000 -0.000001 0.000001 -0.000002 0.000002 0.000005 9C 1dxy 0.000002 -0.000000 0.000004 -0.000000 0.000005 0.000005 9C 2dz2 0.000015 0.000011 0.000031 0.000023 -0.000003 0.000033 9C 2dxz 0.000008 0.000013 0.000017 0.000026 0.000001 -0.000026 9C 2dyz 0.000012 0.000020 0.000028 0.000043 -0.000076 0.000073 9C 2dx2y2 -0.000013 -0.000004 -0.000025 -0.000008 -0.000012 -0.000025 9C 2dxy -0.000001 0.000006 -0.000000 0.000012 -0.000031 0.000011 9C 1f0 -0.000002 -0.000001 -0.000003 -0.000001 -0.000005 0.000003 9C 1f+1 -0.000001 -0.000002 -0.000002 -0.000004 -0.000002 0.000003 9C 1f-1 -0.000005 -0.000005 -0.000010 -0.000009 0.000001 -0.000004 9C 1f+2 0.000003 0.000003 0.000006 0.000005 -0.000001 0.000000 9C 1f-2 -0.000002 -0.000003 -0.000003 -0.000006 0.000004 0.000006 9C 1f+3 0.000000 -0.000001 0.000000 -0.000002 0.000002 0.000001 9C 1f-3 -0.000000 -0.000000 -0.000001 -0.000000 -0.000001 -0.000002 10H 1s 0.000001 -0.000000 0.000002 -0.000001 0.000001 -0.000005 10H 2s -0.000002 0.000012 -0.000003 0.000022 -0.000027 0.000059 10H 3s 0.000001 -0.000004 0.000004 -0.000006 0.000064 -0.000058 10H 1pz -0.000002 -0.000001 -0.000005 -0.000002 -0.000002 0.000006 10H 1px -0.000000 -0.000000 -0.000001 -0.000000 0.000001 -0.000001 10H 1py -0.000001 -0.000000 -0.000002 -0.000001 -0.000004 0.000004 11H 1s -0.000003 -0.000001 -0.000006 -0.000002 0.000014 -0.000005 11H 2s 0.000006 -0.000009 0.000012 -0.000017 0.000020 -0.000028 11H 3s 0.000034 0.000024 0.000069 0.000046 -0.000069 -0.000070 11H 1pz -0.000000 -0.000002 -0.000000 -0.000005 -0.000001 0.000001 11H 1px -0.000001 -0.000003 -0.000003 -0.000006 0.000010 -0.000007 11H 1py 0.000001 0.000001 0.000002 0.000001 -0.000010 0.000002 12H 1s -0.000002 -0.000000 -0.000005 -0.000000 0.000011 -0.000002 12H 2s 0.000012 -0.000007 0.000024 -0.000013 -0.000032 -0.000019 12H 3s 0.000024 0.000012 0.000048 0.000024 -0.000014 -0.000070 12H 1pz 0.000001 -0.000001 0.000001 -0.000002 -0.000006 0.000001 12H 1px -0.000001 -0.000003 -0.000001 -0.000005 0.000004 -0.000007 12H 1py 0.000000 -0.000002 0.000000 -0.000004 -0.000002 -0.000001 13H 1s 0.000001 -0.000001 0.000001 -0.000002 -0.000001 0.000004 13H 2s -0.000001 0.000013 -0.000002 0.000024 0.000032 -0.000039 13H 3s 0.000002 -0.000000 0.000007 0.000001 -0.000026 -0.000026 13H 1pz -0.000001 -0.000000 -0.000002 -0.000000 0.000005 -0.000007 13H 1px -0.000000 -0.000000 -0.000001 -0.000000 -0.000004 -0.000001 13H 1py 0.000003 0.000000 0.000005 0.000001 -0.000003 0.000006 14H 1s -0.000002 0.000000 -0.000004 0.000000 -0.000010 0.000001 14H 2s 0.000014 -0.000005 0.000027 -0.000009 0.000020 -0.000034 14H 3s 0.000019 0.000008 0.000039 0.000016 0.000082 0.000058 14H 1pz 0.000001 -0.000000 0.000001 -0.000001 0.000006 -0.000009 14H 1px -0.000000 -0.000003 -0.000001 -0.000005 -0.000001 -0.000007 14H 1py -0.000000 0.000002 -0.000000 0.000004 -0.000008 -0.000000 15H 1s -0.000003 -0.000002 -0.000006 -0.000003 -0.000008 0.000007 15H 2s 0.000003 -0.000008 0.000007 -0.000014 0.000040 -0.000003 15H 3s 0.000036 0.000025 0.000071 0.000050 0.000011 -0.000011 15H 1pz 0.000002 0.000002 0.000003 0.000003 -0.000003 -0.000001 15H 1px -0.000001 -0.000002 -0.000001 -0.000003 -0.000001 0.000000 15H 1py 0.000001 0.000003 0.000002 0.000005 -0.000005 -0.000001 16H 1s 0.000002 -0.000005 0.000003 -0.000009 -0.000004 0.000006 16H 2s -0.000002 0.000060 -0.000003 0.000114 0.000078 -0.000089 16H 3s -0.000001 -0.000014 -0.000003 -0.000027 -0.000034 0.000007 16H 1pz -0.000001 0.000012 -0.000002 0.000024 0.000013 0.000002 16H 1px 0.000002 -0.000005 0.000003 -0.000009 0.000007 -0.000025 16H 1py -0.000000 0.000001 -0.000001 0.000001 0.000003 0.000005 17H 1s 0.000002 -0.000005 0.000003 -0.000009 -0.000002 0.000001 17H 2s -0.000003 0.000057 -0.000003 0.000110 0.000048 -0.000067 17H 3s -0.000001 -0.000015 -0.000002 -0.000029 -0.000006 0.000000 17H 1pz 0.000000 -0.000006 0.000000 -0.000012 -0.000011 0.000020 17H 1px 0.000002 -0.000011 0.000004 -0.000021 -0.000007 0.000006 17H 1py -0.000001 0.000002 -0.000001 0.000004 0.000001 0.000004 18H 1s -0.000005 0.000002 -0.000009 0.000003 0.000001 -0.000001 18H 2s 0.000057 -0.000001 0.000110 -0.000001 -0.000069 0.000046 18H 3s -0.000015 -0.000001 -0.000029 -0.000003 -0.000001 -0.000006 18H 1pz 0.000006 0.000000 0.000012 0.000000 -0.000021 0.000010 18H 1px 0.000011 -0.000002 0.000021 -0.000003 -0.000007 0.000007 18H 1py -0.000002 0.000001 -0.000003 0.000001 -0.000004 -0.000001 19H 1s -0.000005 0.000002 -0.000009 0.000003 0.000007 -0.000004 19H 2s 0.000060 -0.000000 0.000115 -0.000001 -0.000091 0.000075 19H 3s -0.000014 -0.000002 -0.000027 -0.000003 0.000008 -0.000034 19H 1pz -0.000012 0.000001 -0.000024 0.000002 -0.000002 -0.000013 19H 1px 0.000005 -0.000001 0.000009 -0.000003 0.000025 -0.000007 19H 1py -0.000001 0.000000 -0.000002 0.000001 -0.000005 -0.000004 20H 1s -0.000002 -0.000003 -0.000003 -0.000006 0.000007 -0.000007 20H 2s -0.000008 0.000003 -0.000015 0.000007 -0.000003 0.000040 20H 3s 0.000024 0.000037 0.000048 0.000072 -0.000011 0.000011 20H 1pz -0.000002 -0.000002 -0.000003 -0.000003 0.000001 0.000003 20H 1px 0.000002 0.000001 0.000003 0.000001 -0.000001 0.000001 20H 1py -0.000003 -0.000001 -0.000005 -0.000002 0.000001 0.000005 21H 1s 0.000000 -0.000002 0.000001 -0.000004 0.000001 -0.000010 21H 2s -0.000005 0.000014 -0.000010 0.000027 -0.000034 0.000018 21H 3s 0.000007 0.000020 0.000016 0.000041 0.000056 0.000084 21H 1pz 0.000000 -0.000001 0.000001 -0.000001 0.000009 -0.000005 21H 1px 0.000003 0.000000 0.000005 0.000001 0.000007 0.000002 21H 1py -0.000002 0.000000 -0.000004 0.000000 -0.000000 0.000008 22H 1s -0.000001 0.000001 -0.000002 0.000001 0.000004 -0.000001 22H 2s 0.000013 -0.000001 0.000024 -0.000002 -0.000040 0.000030 22H 3s -0.000001 0.000002 0.000001 0.000007 -0.000025 -0.000026 22H 1pz 0.000000 0.000001 0.000000 0.000002 0.000007 -0.000005 22H 1px 0.000000 0.000000 0.000000 0.000001 0.000001 0.000004 22H 1py -0.000000 -0.000003 -0.000001 -0.000005 -0.000006 0.000003 23H 1s -0.000000 -0.000002 -0.000000 -0.000005 -0.000002 0.000011 23H 2s -0.000007 0.000012 -0.000014 0.000024 -0.000018 -0.000032 23H 3s 0.000011 0.000025 0.000024 0.000050 -0.000069 -0.000019 23H 1pz 0.000001 -0.000001 0.000002 -0.000001 -0.000001 0.000006 23H 1px 0.000003 0.000001 0.000005 0.000001 0.000007 -0.000003 23H 1py 0.000002 -0.000000 0.000005 -0.000000 0.000002 0.000002 24H 1s -0.000001 -0.000003 -0.000002 -0.000006 -0.000005 0.000014 24H 2s -0.000009 0.000006 -0.000017 0.000012 -0.000027 0.000017 24H 3s 0.000022 0.000035 0.000044 0.000069 -0.000069 -0.000072 24H 1pz 0.000002 0.000000 0.000005 0.000000 -0.000002 0.000002 24H 1px 0.000003 0.000002 0.000006 0.000003 0.000007 -0.000009 24H 1py -0.000000 -0.000001 -0.000001 -0.000002 -0.000002 0.000010 25H 1s -0.000000 0.000001 -0.000001 0.000002 -0.000005 0.000001 25H 2s 0.000012 -0.000001 0.000022 -0.000002 0.000061 -0.000026 25H 3s -0.000004 0.000001 -0.000006 0.000004 -0.000059 0.000062 25H 1pz 0.000001 0.000002 0.000002 0.000005 -0.000006 0.000002 25H 1px 0.000000 0.000000 0.000000 0.000001 0.000001 -0.000001 25H 1py 0.000000 0.000001 0.000001 0.000002 -0.000004 0.000003 26O 1s -0.000001 -0.000000 -0.000001 -0.000001 -0.000001 0.000006 26O 2s 0.000003 0.000001 0.000005 0.000002 0.000003 -0.000021 26O 3s -0.000022 -0.000010 -0.000043 -0.000020 -0.000025 0.000142 26O 4s 0.000073 0.000078 0.000142 0.000147 0.000029 -0.000225 26O 5s 0.000004 -0.000343 0.000012 -0.000656 0.000365 -0.001388 26O 1pz -0.000002 0.000003 -0.000004 0.000004 -0.000000 0.000036 26O 1px 0.000002 -0.000003 0.000005 -0.000006 -0.000001 -0.000011 26O 1py -0.000000 0.000001 -0.000000 0.000001 0.000002 0.000006 26O 2pz 0.000004 0.000000 0.000009 0.000000 0.000017 0.000006 26O 2px -0.000030 0.000020 -0.000059 0.000037 -0.000010 0.000276 26O 2py -0.000008 0.000007 -0.000016 0.000013 -0.000010 0.000147 26O 3pz -0.000012 -0.000162 -0.000021 -0.000310 -0.000070 -0.000258 26O 3px -0.000042 0.000007 -0.000083 0.000014 -0.000299 0.000789 26O 3py -0.000023 -0.000092 -0.000043 -0.000175 -0.000097 -0.000023 26O 1dz2 -0.000001 0.000002 -0.000002 0.000004 0.000007 0.000035 26O 1dxz 0.000002 0.000001 0.000003 0.000002 -0.000002 0.000004 26O 1dyz -0.000000 0.000005 -0.000001 0.000009 0.000002 0.000062 26O 1dx2y2 -0.000000 0.000000 -0.000000 0.000001 -0.000002 0.000003 26O 1dxy 0.000001 0.000002 0.000002 0.000004 -0.000005 0.000016 26O 2dz2 -0.000002 -0.000009 -0.000005 -0.000015 -0.000029 -0.000054 26O 2dxz -0.000004 -0.000005 -0.000008 -0.000010 -0.000009 -0.000026 26O 2dyz 0.000001 -0.000021 0.000003 -0.000037 -0.000008 -0.000199 26O 2dx2y2 0.000007 0.000000 0.000014 -0.000000 0.000022 -0.000068 26O 2dxy 0.000003 -0.000009 0.000006 -0.000017 0.000020 -0.000111 26O 1f0 0.000000 0.000000 0.000000 0.000000 -0.000006 -0.000013 26O 1f+1 0.000000 -0.000002 0.000001 -0.000003 0.000006 -0.000020 26O 1f-1 0.000000 -0.000002 0.000001 -0.000003 0.000001 -0.000054 26O 1f+2 0.000000 0.000001 0.000000 0.000002 0.000002 0.000025 26O 1f-2 -0.000001 -0.000002 -0.000001 -0.000003 0.000006 -0.000018 26O 1f+3 0.000001 -0.000001 0.000001 -0.000001 0.000005 -0.000014 26O 1f-3 0.000001 -0.000001 0.000002 -0.000001 0.000002 -0.000012 27O 1s -0.000001 -0.000000 -0.000001 -0.000000 0.000000 -0.000002 27O 2s 0.000003 0.000001 0.000005 0.000002 -0.000001 0.000008 27O 3s -0.000023 -0.000008 -0.000044 -0.000016 0.000007 -0.000053 27O 4s 0.000077 0.000072 0.000149 0.000137 -0.000010 0.000079 27O 5s 0.000013 -0.000321 0.000032 -0.000614 -0.000094 0.000556 27O 1pz -0.000001 0.000002 -0.000003 0.000004 0.000004 -0.000029 27O 1px 0.000003 -0.000002 0.000005 -0.000004 0.000001 -0.000000 27O 1py 0.000001 -0.000003 0.000003 -0.000004 0.000004 -0.000004 27O 2pz 0.000006 -0.000003 0.000013 -0.000006 -0.000028 0.000076 27O 2px -0.000034 0.000017 -0.000068 0.000032 -0.000003 -0.000110 27O 2py 0.000000 -0.000001 0.000000 -0.000002 -0.000016 0.000075 27O 3pz 0.000002 -0.000089 0.000007 -0.000171 0.000098 -0.000147 27O 3px -0.000044 -0.000007 -0.000086 -0.000011 0.000098 -0.000296 27O 3py 0.000014 0.000139 0.000024 0.000266 0.000032 -0.000293 27O 1dz2 -0.000000 -0.000002 -0.000001 -0.000004 -0.000004 0.000001 27O 1dxz 0.000001 0.000001 0.000002 0.000001 -0.000003 -0.000012 27O 1dyz 0.000001 -0.000005 0.000002 -0.000008 0.000004 0.000030 27O 1dx2y2 0.000001 -0.000001 0.000001 -0.000002 0.000000 0.000002 27O 1dxy -0.000001 -0.000003 -0.000002 -0.000005 -0.000003 0.000006 27O 2dz2 -0.000004 0.000008 -0.000008 0.000014 0.000014 -0.000030 27O 2dxz -0.000005 -0.000005 -0.000009 -0.000008 0.000016 0.000036 27O 2dyz -0.000002 0.000019 -0.000005 0.000033 -0.000013 -0.000088 27O 2dx2y2 0.000007 0.000005 0.000014 0.000009 -0.000003 0.000021 27O 2dxy 0.000001 0.000012 0.000002 0.000022 0.000006 -0.000029 27O 1f0 -0.000000 0.000001 -0.000001 0.000002 0.000002 -0.000007 27O 1f+1 0.000001 -0.000000 0.000001 -0.000001 -0.000000 0.000007 27O 1f-1 -0.000000 -0.000000 -0.000001 -0.000000 -0.000003 -0.000017 27O 1f+2 0.000000 0.000001 0.000000 0.000001 -0.000002 -0.000015 27O 1f-2 0.000000 0.000002 0.000001 0.000003 0.000001 -0.000015 27O 1f+3 0.000001 -0.000002 0.000001 -0.000004 -0.000003 0.000015 27O 1f-3 -0.000001 0.000000 -0.000001 0.000000 -0.000002 0.000002 28O 1s -0.000000 -0.000001 -0.000000 -0.000001 -0.000006 0.000000 28O 2s 0.000001 0.000003 0.000002 0.000005 0.000021 -0.000001 28O 3s -0.000009 -0.000023 -0.000018 -0.000044 -0.000138 0.000016 28O 4s 0.000075 0.000077 0.000145 0.000147 0.000217 -0.000026 28O 5s -0.000298 0.000002 -0.000570 0.000020 0.001302 -0.000344 28O 1pz 0.000001 -0.000000 0.000002 -0.000000 -0.000024 -0.000001 28O 1px 0.000003 -0.000003 0.000005 -0.000006 -0.000024 -0.000001 28O 1py 0.000002 -0.000001 0.000003 -0.000003 -0.000012 -0.000004 28O 2pz 0.000006 -0.000015 0.000010 -0.000029 -0.000172 0.000000 28O 2px -0.000011 0.000030 -0.000020 0.000061 0.000246 -0.000018 28O 2py -0.000001 0.000003 -0.000001 0.000006 -0.000053 0.000010 28O 3pz -0.000125 -0.000034 -0.000240 -0.000060 -0.000174 0.000222 28O 3px -0.000060 0.000029 -0.000116 0.000059 0.000688 -0.000172 28O 3py -0.000105 -0.000012 -0.000203 -0.000018 0.000323 0.000016 28O 1dz2 0.000002 0.000001 0.000004 0.000002 -0.000032 -0.000002 28O 1dxz 0.000000 -0.000001 -0.000000 -0.000003 -0.000008 -0.000009 28O 1dyz 0.000005 0.000000 0.000009 -0.000000 -0.000060 -0.000003 28O 1dx2y2 -0.000000 -0.000000 0.000000 -0.000001 -0.000001 0.000002 28O 1dxy 0.000002 -0.000001 0.000003 -0.000002 -0.000025 -0.000005 28O 2dz2 -0.000010 -0.000003 -0.000018 -0.000005 0.000104 0.000015 28O 2dxz -0.000001 -0.000005 -0.000001 -0.000010 -0.000060 0.000034 28O 2dyz -0.000021 0.000000 -0.000037 0.000001 0.000190 0.000012 28O 2dx2y2 0.000002 0.000007 0.000003 0.000015 0.000052 -0.000020 28O 2dxy -0.000005 0.000003 -0.000009 0.000006 0.000066 0.000012 28O 1f0 -0.000001 0.000000 -0.000002 0.000001 0.000016 -0.000004 28O 1f+1 -0.000000 0.000001 -0.000000 0.000001 0.000018 0.000005 28O 1f-1 -0.000002 -0.000000 -0.000004 -0.000001 0.000052 -0.000001 28O 1f+2 0.000002 -0.000001 0.000003 -0.000002 -0.000034 0.000004 28O 1f-2 0.000000 0.000001 0.000000 0.000001 0.000017 0.000005 28O 1f+3 0.000000 -0.000000 0.000001 -0.000001 0.000000 0.000004 28O 1f-3 -0.000000 -0.000000 -0.000001 -0.000001 0.000002 0.000000 29O 1s -0.000001 -0.000001 -0.000002 -0.000001 -0.000000 0.000001 29O 2s 0.000004 0.000002 0.000006 0.000003 0.000001 -0.000003 29O 3s -0.000022 -0.000009 -0.000041 -0.000015 -0.000003 0.000017 29O 4s 0.000062 0.000043 0.000121 0.000076 0.000019 -0.000066 29O 5s -0.000115 -0.000139 -0.000226 -0.000258 -0.000139 0.000218 29O 1pz -0.000001 -0.000000 -0.000002 -0.000001 0.000000 -0.000004 29O 1px 0.000004 0.000000 0.000007 0.000000 0.000003 -0.000005 29O 1py 0.000000 -0.000002 0.000000 -0.000004 0.000002 -0.000006 29O 2pz 0.000004 0.000008 0.000008 0.000015 0.000004 0.000025 29O 2px -0.000012 -0.000017 -0.000024 -0.000032 -0.000020 0.000024 29O 2py -0.000002 0.000015 -0.000004 0.000028 -0.000001 0.000022 29O 3pz -0.000014 -0.000013 -0.000029 -0.000023 0.000041 -0.000113 29O 3px 0.000043 0.000052 0.000085 0.000096 0.000034 -0.000027 29O 3py 0.000006 0.000038 0.000013 0.000074 0.000099 -0.000199 29O 1dz2 0.000001 -0.000001 0.000001 -0.000002 0.000000 0.000000 29O 1dxz 0.000001 -0.000002 0.000002 -0.000004 0.000001 -0.000003 29O 1dyz 0.000000 -0.000000 0.000000 -0.000001 0.000000 -0.000001 29O 1dx2y2 -0.000001 0.000004 -0.000002 0.000008 -0.000000 0.000002 29O 1dxy -0.000001 0.000001 -0.000001 0.000002 0.000001 -0.000003 29O 2dz2 -0.000002 -0.000002 -0.000003 -0.000004 -0.000005 -0.000006 29O 2dxz -0.000002 0.000002 -0.000004 0.000004 -0.000005 0.000011 29O 2dyz -0.000001 0.000000 -0.000001 0.000001 -0.000003 -0.000003 29O 2dx2y2 0.000004 -0.000009 0.000006 -0.000018 0.000002 -0.000006 29O 2dxy 0.000002 0.000000 0.000003 0.000001 -0.000000 0.000007 29O 1f0 -0.000000 0.000001 -0.000001 0.000003 0.000002 -0.000002 29O 1f+1 0.000000 -0.000000 0.000001 -0.000001 -0.000001 0.000002 29O 1f-1 0.000000 0.000002 0.000000 0.000004 0.000002 0.000001 29O 1f+2 0.000001 -0.000001 0.000001 -0.000002 -0.000001 -0.000000 29O 1f-2 0.000000 0.000001 0.000000 0.000002 0.000000 0.000002 29O 1f+3 0.000001 -0.000002 0.000002 -0.000004 -0.000002 0.000003 29O 1f-3 0.000000 -0.000000 0.000001 -0.000001 0.000001 0.000000 30O 1s -0.000000 -0.000001 -0.000001 -0.000001 0.000003 -0.000000 30O 2s 0.000001 0.000003 0.000002 0.000005 -0.000009 0.000001 30O 3s -0.000010 -0.000022 -0.000020 -0.000042 0.000061 -0.000011 30O 4s 0.000079 0.000072 0.000151 0.000138 -0.000100 0.000023 30O 5s -0.000337 -0.000011 -0.000643 -0.000005 -0.000553 0.000172 30O 1pz 0.000000 0.000000 0.000000 0.000000 0.000025 -0.000003 30O 1px 0.000004 -0.000003 0.000006 -0.000006 0.000015 -0.000000 30O 1py -0.000001 0.000001 -0.000001 0.000002 0.000006 -0.000004 30O 2pz 0.000008 -0.000010 0.000016 -0.000020 -0.000011 0.000018 30O 2px -0.000015 0.000027 -0.000027 0.000054 -0.000104 0.000014 30O 2py -0.000009 0.000007 -0.000017 0.000014 -0.000111 0.000021 30O 3pz -0.000084 -0.000032 -0.000162 -0.000059 0.000356 -0.000156 30O 3px -0.000094 0.000020 -0.000180 0.000043 -0.000281 0.000087 30O 3py 0.000142 0.000035 0.000272 0.000062 0.000166 0.000021 30O 1dz2 -0.000001 0.000001 -0.000002 0.000001 0.000003 0.000005 30O 1dxz 0.000001 -0.000001 0.000001 -0.000001 0.000004 0.000003 30O 1dyz -0.000005 -0.000001 -0.000009 -0.000001 -0.000028 -0.000003 30O 1dx2y2 -0.000002 -0.000001 -0.000002 -0.000002 -0.000001 0.000002 30O 1dxy -0.000002 0.000001 -0.000003 0.000003 -0.000016 -0.000004 30O 2dz2 0.000004 -0.000004 0.000007 -0.000008 0.000000 -0.000020 30O 2dxz -0.000002 -0.000005 -0.000003 -0.000009 0.000020 -0.000011 30O 2dyz 0.000021 -0.000002 0.000038 -0.000004 0.000101 0.000008 30O 2dx2y2 0.000007 0.000007 0.000013 0.000013 -0.000004 0.000000 30O 2dxy 0.000007 0.000002 0.000012 0.000003 0.000026 0.000017 30O 1f0 0.000001 0.000001 0.000001 0.000001 0.000010 0.000001 30O 1f+1 -0.000000 -0.000000 -0.000001 -0.000000 -0.000010 -0.000002 30O 1f-1 0.000001 0.000000 0.000001 0.000001 0.000014 0.000001 30O 1f+2 0.000002 -0.000000 0.000004 -0.000000 0.000016 -0.000003 30O 1f-2 0.000001 -0.000001 0.000002 -0.000002 0.000022 0.000002 30O 1f+3 -0.000001 -0.000000 -0.000001 -0.000000 -0.000005 -0.000001 30O 1f-3 0.000002 -0.000000 0.000003 -0.000001 0.000002 -0.000003 31O 1s -0.000001 -0.000000 -0.000001 -0.000001 -0.000000 0.000003 31O 2s 0.000003 0.000001 0.000005 0.000002 0.000001 -0.000009 31O 3s -0.000022 -0.000011 -0.000042 -0.000021 -0.000013 0.000061 31O 4s 0.000069 0.000082 0.000135 0.000155 0.000026 -0.000100 31O 5s 0.000000 -0.000336 0.000006 -0.000641 0.000189 -0.000551 31O 1pz -0.000000 -0.000000 -0.000000 -0.000000 0.000004 -0.000025 31O 1px 0.000003 -0.000003 0.000006 -0.000006 0.000001 -0.000015 31O 1py -0.000001 0.000001 -0.000002 0.000001 0.000004 -0.000006 31O 2pz 0.000010 -0.000008 0.000020 -0.000015 -0.000019 0.000010 31O 2px -0.000027 0.000014 -0.000054 0.000026 -0.000017 0.000105 31O 2py -0.000008 0.000008 -0.000015 0.000016 -0.000024 0.000111 31O 3pz 0.000029 0.000086 0.000055 0.000164 0.000166 -0.000352 31O 3px -0.000023 0.000092 -0.000046 0.000178 -0.000095 0.000282 31O 3py -0.000030 -0.000144 -0.000057 -0.000275 -0.000017 -0.000166 31O 1dz2 0.000001 -0.000001 0.000001 -0.000002 0.000005 0.000003 31O 1dxz -0.000001 0.000001 -0.000001 0.000001 0.000003 0.000004 31O 1dyz -0.000000 -0.000005 -0.000001 -0.000009 -0.000002 -0.000028 31O 1dx2y2 -0.000001 -0.000002 -0.000002 -0.000002 0.000002 -0.000001 31O 1dxy 0.000001 -0.000002 0.000003 -0.000003 -0.000004 -0.000016 31O 2dz2 -0.000004 0.000004 -0.000008 0.000007 -0.000020 0.000000 31O 2dxz -0.000005 -0.000002 -0.000009 -0.000003 -0.000011 0.000020 31O 2dyz -0.000003 0.000021 -0.000005 0.000038 0.000005 0.000102 31O 2dx2y2 0.000006 0.000008 0.000013 0.000013 0.000000 -0.000003 31O 2dxy 0.000002 0.000007 0.000003 0.000012 0.000016 0.000027 31O 1f0 -0.000001 -0.000001 -0.000001 -0.000001 -0.000001 -0.000010 31O 1f+1 0.000000 0.000000 0.000000 0.000001 0.000001 0.000010 31O 1f-1 -0.000000 -0.000001 -0.000001 -0.000001 -0.000000 -0.000014 31O 1f+2 0.000000 -0.000002 0.000000 -0.000004 0.000003 -0.000016 31O 1f-2 0.000001 -0.000001 0.000002 -0.000002 -0.000001 -0.000022 31O 1f+3 0.000000 0.000001 0.000000 0.000001 0.000001 0.000005 31O 1f-3 0.000000 -0.000002 0.000001 -0.000003 0.000003 -0.000002 32O 1s -0.000001 -0.000001 -0.000001 -0.000002 0.000001 -0.000000 32O 2s 0.000002 0.000004 0.000002 0.000006 -0.000003 0.000001 32O 3s -0.000009 -0.000022 -0.000014 -0.000042 0.000017 -0.000002 32O 4s 0.000041 0.000064 0.000074 0.000122 -0.000065 0.000017 32O 5s -0.000135 -0.000119 -0.000253 -0.000231 0.000221 -0.000133 32O 1pz 0.000000 0.000001 0.000000 0.000002 0.000004 0.000000 32O 1px -0.000000 -0.000004 0.000000 -0.000007 0.000005 -0.000003 32O 1py 0.000002 -0.000000 0.000004 -0.000000 0.000006 -0.000002 32O 2pz -0.000008 -0.000005 -0.000014 -0.000009 -0.000026 -0.000004 32O 2px 0.000017 0.000013 0.000031 0.000024 -0.000025 0.000020 32O 2py -0.000015 0.000002 -0.000028 0.000004 -0.000023 0.000000 32O 3pz 0.000013 0.000015 0.000023 0.000029 0.000114 -0.000037 32O 3px -0.000050 -0.000045 -0.000094 -0.000087 0.000027 -0.000033 32O 3py -0.000038 -0.000008 -0.000073 -0.000015 0.000202 -0.000093 32O 1dz2 -0.000001 0.000001 -0.000002 0.000001 0.000000 0.000000 32O 1dxz -0.000002 0.000001 -0.000004 0.000002 -0.000003 0.000001 32O 1dyz -0.000000 0.000000 -0.000001 0.000000 -0.000001 0.000000 32O 1dx2y2 0.000004 -0.000001 0.000008 -0.000002 0.000002 -0.000000 32O 1dxy 0.000001 -0.000001 0.000002 -0.000001 -0.000003 0.000001 32O 2dz2 -0.000002 -0.000002 -0.000003 -0.000003 -0.000006 -0.000005 32O 2dxz 0.000002 -0.000002 0.000004 -0.000004 0.000012 -0.000005 32O 2dyz -0.000000 -0.000001 -0.000000 -0.000001 -0.000004 -0.000003 32O 2dx2y2 -0.000010 0.000003 -0.000018 0.000006 -0.000006 0.000002 32O 2dxy 0.000000 0.000002 0.000001 0.000003 0.000007 0.000000 32O 1f0 -0.000001 0.000000 -0.000003 0.000001 0.000002 -0.000002 32O 1f+1 0.000000 -0.000000 0.000001 -0.000001 -0.000002 0.000001 32O 1f-1 -0.000002 -0.000000 -0.000005 -0.000000 -0.000000 -0.000002 32O 1f+2 0.000001 -0.000001 0.000002 -0.000001 0.000001 0.000001 32O 1f-2 -0.000001 -0.000000 -0.000002 -0.000000 -0.000001 -0.000000 32O 1f+3 0.000002 -0.000001 0.000004 -0.000002 -0.000004 0.000002 32O 1f-3 0.000000 -0.000000 0.000001 -0.000001 -0.000000 -0.000000 33O 1s -0.000001 -0.000000 -0.000001 -0.000001 0.000001 -0.000006 33O 2s 0.000003 0.000001 0.000005 0.000002 -0.000002 0.000020 33O 3s -0.000022 -0.000010 -0.000043 -0.000019 0.000020 -0.000137 33O 4s 0.000074 0.000078 0.000144 0.000148 -0.000032 0.000216 33O 5s 0.000013 -0.000297 0.000032 -0.000569 -0.000382 0.001291 33O 1pz 0.000000 -0.000001 0.000000 -0.000002 0.000001 0.000024 33O 1px 0.000003 -0.000003 0.000006 -0.000005 -0.000000 0.000024 33O 1py 0.000001 -0.000002 0.000003 -0.000003 0.000004 0.000012 33O 2pz 0.000015 -0.000005 0.000029 -0.000010 -0.000005 0.000171 33O 2px -0.000031 0.000010 -0.000062 0.000019 0.000025 -0.000245 33O 2py -0.000003 0.000001 -0.000006 0.000001 -0.000011 0.000053 33O 3pz 0.000029 0.000126 0.000055 0.000242 -0.000227 0.000165 33O 3px -0.000031 0.000058 -0.000061 0.000114 0.000192 -0.000682 33O 3py 0.000008 0.000106 0.000014 0.000204 -0.000007 -0.000325 33O 1dz2 0.000001 0.000002 0.000002 0.000004 -0.000001 -0.000032 33O 1dxz -0.000001 0.000000 -0.000003 -0.000000 -0.000009 -0.000008 33O 1dyz -0.000000 0.000005 -0.000000 0.000009 -0.000002 -0.000060 33O 1dx2y2 -0.000000 -0.000000 -0.000001 0.000000 0.000002 -0.000001 33O 1dxy -0.000001 0.000001 -0.000002 0.000003 -0.000005 -0.000025 33O 2dz2 -0.000003 -0.000010 -0.000005 -0.000018 0.000012 0.000104 33O 2dxz -0.000005 -0.000001 -0.000010 -0.000002 0.000035 -0.000059 33O 2dyz 0.000001 -0.000021 0.000002 -0.000037 0.000007 0.000190 33O 2dx2y2 0.000007 0.000002 0.000015 0.000003 -0.000021 0.000052 33O 2dxy 0.000003 -0.000005 0.000006 -0.000009 0.000010 0.000066 33O 1f0 -0.000000 0.000001 -0.000001 0.000002 0.000005 -0.000015 33O 1f+1 -0.000001 0.000000 -0.000001 0.000000 -0.000005 -0.000018 33O 1f-1 0.000000 0.000002 0.000001 0.000004 0.000003 -0.000052 33O 1f+2 0.000001 -0.000002 0.000002 -0.000003 -0.000005 0.000033 33O 1f-2 -0.000001 -0.000000 -0.000001 -0.000000 -0.000005 -0.000017 33O 1f+3 0.000001 -0.000000 0.000001 -0.000001 -0.000004 -0.000000 33O 1f-3 0.000000 0.000000 0.000001 0.000001 -0.000000 -0.000002 34O 1s -0.000000 -0.000001 -0.000000 -0.000001 -0.000002 0.000000 34O 2s 0.000001 0.000003 0.000002 0.000005 0.000008 -0.000001 34O 3s -0.000008 -0.000023 -0.000016 -0.000045 -0.000053 0.000006 34O 4s 0.000070 0.000080 0.000135 0.000152 0.000079 -0.000007 34O 5s -0.000321 0.000002 -0.000615 0.000021 0.000557 -0.000078 34O 1pz -0.000002 0.000001 -0.000004 0.000003 0.000030 -0.000003 34O 1px 0.000002 -0.000002 0.000004 -0.000005 0.000000 -0.000001 34O 1py 0.000003 -0.000001 0.000004 -0.000003 0.000004 -0.000004 34O 2pz 0.000004 -0.000006 0.000006 -0.000013 -0.000077 0.000026 34O 2px -0.000018 0.000034 -0.000033 0.000067 0.000109 0.000006 34O 2py 0.000001 -0.000000 0.000002 -0.000000 -0.000076 0.000014 34O 3pz 0.000089 0.000001 0.000171 -0.000004 0.000150 -0.000094 34O 3px 0.000006 0.000044 0.000010 0.000086 0.000298 -0.000090 34O 3py -0.000139 -0.000018 -0.000266 -0.000028 0.000293 -0.000024 34O 1dz2 -0.000002 -0.000000 -0.000004 -0.000001 0.000001 -0.000004 34O 1dxz 0.000001 0.000001 0.000001 0.000002 -0.000012 -0.000003 34O 1dyz -0.000005 0.000001 -0.000008 0.000002 0.000030 0.000005 34O 1dx2y2 -0.000001 0.000001 -0.000002 0.000001 0.000002 0.000000 34O 1dxy -0.000003 -0.000001 -0.000005 -0.000003 0.000006 -0.000002 34O 2dz2 0.000008 -0.000004 0.000015 -0.000008 -0.000030 0.000013 34O 2dxz -0.000004 -0.000005 -0.000008 -0.000009 0.000035 0.000017 34O 2dyz 0.000019 -0.000002 0.000033 -0.000004 -0.000088 -0.000015 34O 2dx2y2 0.000005 0.000007 0.000009 0.000014 0.000021 -0.000003 34O 2dxy 0.000012 0.000001 0.000022 0.000002 -0.000029 0.000006 34O 1f0 -0.000001 0.000000 -0.000002 0.000001 0.000007 -0.000002 34O 1f+1 0.000000 -0.000001 0.000001 -0.000001 -0.000007 0.000000 34O 1f-1 0.000000 0.000000 0.000000 0.000001 0.000017 0.000004 34O 1f+2 -0.000001 -0.000000 -0.000001 -0.000000 0.000015 0.000002 34O 1f-2 -0.000002 -0.000000 -0.000003 -0.000001 0.000014 -0.000001 34O 1f+3 0.000002 -0.000001 0.000004 -0.000001 -0.000015 0.000002 34O 1f-3 -0.000000 0.000001 -0.000000 0.000001 -0.000003 0.000001 35O 1s -0.000000 -0.000001 -0.000001 -0.000001 0.000006 -0.000001 35O 2s 0.000001 0.000003 0.000002 0.000005 -0.000021 0.000002 35O 3s -0.000009 -0.000023 -0.000019 -0.000043 0.000143 -0.000021 35O 4s 0.000075 0.000076 0.000145 0.000145 -0.000227 0.000022 35O 5s -0.000342 -0.000008 -0.000654 0.000000 -0.001402 0.000325 35O 1pz -0.000003 0.000002 -0.000005 0.000004 -0.000036 -0.000001 35O 1px 0.000003 -0.000002 0.000006 -0.000005 0.000011 0.000002 35O 1py -0.000001 0.000000 -0.000001 0.000000 -0.000006 -0.000002 35O 2pz 0.000000 -0.000004 0.000000 -0.000009 -0.000006 -0.000017 35O 2px -0.000020 0.000029 -0.000038 0.000058 -0.000277 0.000002 35O 2py -0.000007 0.000008 -0.000014 0.000016 -0.000148 0.000005 35O 3pz 0.000161 0.000018 0.000310 0.000026 0.000257 0.000078 35O 3px -0.000008 0.000042 -0.000015 0.000082 -0.000798 0.000276 35O 3py 0.000091 0.000026 0.000175 0.000046 0.000019 0.000097 35O 1dz2 0.000002 -0.000001 0.000004 -0.000002 0.000035 0.000008 35O 1dxz 0.000001 0.000002 0.000002 0.000003 0.000004 -0.000001 35O 1dyz 0.000005 -0.000000 0.000009 -0.000001 0.000062 0.000004 35O 1dx2y2 0.000000 -0.000000 0.000000 -0.000000 0.000003 -0.000002 35O 1dxy 0.000002 0.000001 0.000004 0.000002 0.000016 -0.000004 35O 2dz2 -0.000009 -0.000003 -0.000015 -0.000005 -0.000053 -0.000031 35O 2dxz -0.000005 -0.000004 -0.000010 -0.000008 -0.000026 -0.000010 35O 2dyz -0.000021 0.000001 -0.000037 0.000002 -0.000199 -0.000014 35O 2dx2y2 0.000000 0.000007 -0.000000 0.000014 -0.000068 0.000020 35O 2dxy -0.000009 0.000003 -0.000017 0.000006 -0.000112 0.000017 35O 1f0 -0.000000 -0.000000 -0.000000 -0.000000 0.000012 0.000006 35O 1f+1 0.000002 -0.000000 0.000003 -0.000001 0.000021 -0.000005 35O 1f-1 0.000002 -0.000000 0.000003 -0.000001 0.000054 0.000001 35O 1f+2 -0.000001 -0.000000 -0.000002 -0.000000 -0.000025 -0.000003 35O 1f-2 0.000001 0.000001 0.000003 0.000001 0.000018 -0.000006 35O 1f+3 0.000001 -0.000001 0.000001 -0.000001 0.000014 -0.000005 35O 1f-3 0.000001 -0.000001 0.000001 -0.000002 0.000012 -0.000002 6 7 8 9 10 11 -108.87671 -108.87666 -108.87361 -108.87355 -21.10074 -21.10067 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s 0.000000 -0.000006 0.000005 -0.000080 0.026269 -0.138984 0Rh 2s 0.000001 0.000021 0.000062 0.000309 -0.102283 0.542067 0Rh 3s 0.000002 0.000003 0.000079 0.000073 0.061386 -0.324114 0Rh 4s -0.000005 -0.000004 -0.000200 -0.000140 0.131354 -0.697915 0Rh 5s 0.000007 0.000004 0.000266 0.000211 0.027756 -0.142171 0Rh 6s -0.000009 -0.000004 -0.000259 -0.000365 -0.007193 0.031428 0Rh 7s 0.000014 0.000023 -0.001100 0.002067 0.008933 -0.022967 0Rh 8s 0.000019 -0.000007 -0.000002 -0.001128 0.003941 -0.001853 0Rh 1pz 0.012635 -0.765647 -0.007959 -0.301001 -0.000018 0.000113 0Rh 1px 0.005690 -0.344305 0.024508 0.926893 0.000042 -0.000287 0Rh 1py -0.008589 0.523507 0.004510 0.169383 0.000015 -0.000093 0Rh 2pz 0.000351 -0.021087 -0.000221 -0.008281 0.000031 -0.000259 0Rh 2px 0.000159 -0.009482 0.000682 0.025497 -0.000064 0.000660 0Rh 2py -0.000239 0.014414 0.000125 0.004658 -0.000030 0.000215 0Rh 3pz -0.000173 0.009248 0.000105 0.003631 0.000107 -0.000055 0Rh 3px -0.000079 0.004158 -0.000321 -0.011164 -0.000359 0.000120 0Rh 3py 0.000118 -0.006318 -0.000055 -0.002032 -0.000066 0.000028 0Rh 4pz 0.000166 -0.006595 -0.000068 -0.002606 -0.000225 0.000074 0Rh 4px 0.000078 -0.002966 0.000202 0.007986 0.000770 -0.000135 0Rh 4py -0.000113 0.004505 0.000029 0.001441 0.000138 -0.000018 0Rh 5pz -0.000154 0.003039 -0.000046 0.001271 0.000162 -0.000027 0Rh 5px -0.000073 0.001369 0.000156 -0.003857 -0.000614 -0.000066 0Rh 5py 0.000105 -0.002077 0.000040 -0.000675 -0.000104 -0.000060 0Rh 6pz 0.000685 -0.001202 0.000245 -0.001074 0.003067 -0.001213 0Rh 6px 0.000332 -0.000584 -0.000699 0.002918 -0.008819 0.004205 0Rh 6py -0.000476 0.000855 -0.000094 0.000203 -0.001465 0.001997 0Rh 1dz2 0.000002 -0.000007 -0.000003 0.000005 0.000011 -0.000069 0Rh 1dxz -0.000004 0.000010 -0.000003 0.000007 0.000033 -0.000189 0Rh 1dyz -0.000002 0.000006 -0.000001 0.000002 0.000009 -0.000052 0Rh 1dx2y2 -0.000002 0.000008 0.000005 -0.000010 -0.000072 0.000400 0Rh 1dxy 0.000003 -0.000006 0.000002 -0.000006 -0.000029 0.000161 0Rh 2dz2 -0.000009 0.000007 0.000012 -0.000002 0.000002 0.000030 0Rh 2dxz 0.000014 -0.000012 0.000016 -0.000003 0.000029 -0.000094 0Rh 2dyz 0.000007 -0.000006 0.000002 -0.000001 -0.000002 0.000021 0Rh 2dx2y2 0.000009 -0.000008 -0.000024 0.000004 -0.000065 0.000261 0Rh 2dxy -0.000010 0.000008 -0.000008 0.000004 -0.000028 0.000113 0Rh 3dz2 0.000022 -0.000010 -0.000034 -0.000001 -0.000004 -0.000116 0Rh 3dxz -0.000035 0.000018 -0.000046 -0.000002 -0.000018 -0.000109 0Rh 3dyz -0.000016 0.000008 -0.000007 0.000001 0.000008 -0.000072 0Rh 3dx2y2 -0.000023 0.000011 0.000069 0.000002 0.000021 0.000164 0Rh 3dxy 0.000024 -0.000012 0.000023 -0.000002 0.000007 0.000072 0Rh 4dz2 -0.000041 0.000009 0.000096 0.000012 0.000066 0.000158 0Rh 4dxz 0.000065 -0.000020 0.000130 0.000019 0.000104 0.000168 0Rh 4dyz 0.000031 -0.000007 0.000021 0.000002 0.000010 0.000066 0Rh 4dx2y2 0.000043 -0.000009 -0.000195 -0.000027 -0.000143 -0.000267 0Rh 4dxy -0.000045 0.000013 -0.000067 -0.000005 -0.000047 -0.000141 0Rh 5dz2 0.000053 0.000028 -0.000243 -0.000081 -0.000402 -0.000671 0Rh 5dxz -0.000089 -0.000032 -0.000332 -0.000114 -0.000584 -0.000807 0Rh 5dyz -0.000045 -0.000027 -0.000055 -0.000019 -0.000081 -0.000208 0Rh 5dx2y2 -0.000057 -0.000036 0.000498 0.000167 0.000846 0.001258 0Rh 5dxy 0.000059 0.000023 0.000171 0.000057 0.000294 0.000552 0Rh 1f0 -0.000003 -0.000022 -0.000019 -0.000008 -0.000036 -0.000007 0Rh 1f+1 -0.000000 0.000004 0.000016 0.000006 0.000029 0.000010 0Rh 1f-1 0.000001 0.000010 0.000003 -0.000001 0.000006 0.000009 0Rh 1f+2 -0.000003 -0.000037 0.000025 0.000009 0.000046 0.000015 0Rh 1f-2 -0.000001 -0.000018 0.000010 0.000002 0.000017 0.000010 0Rh 1f+3 0.000002 0.000025 0.000030 0.000012 0.000055 0.000013 0Rh 1f-3 -0.000000 -0.000008 0.000018 0.000008 0.000034 0.000006 1Rh 1s -0.000006 0.000000 0.000079 -0.000009 -0.138989 -0.026244 1Rh 2s 0.000021 0.000002 -0.000312 -0.000046 0.542023 0.102520 1Rh 3s 0.000003 0.000002 -0.000077 -0.000075 -0.324170 -0.061086 1Rh 4s -0.000004 -0.000005 0.000150 0.000193 -0.697736 -0.132309 1Rh 5s 0.000004 0.000007 -0.000224 -0.000254 -0.142496 -0.026023 1Rh 6s -0.000005 -0.000009 0.000378 0.000240 0.031884 0.004767 1Rh 7s 0.000026 0.000014 -0.002005 0.001207 -0.024638 -0.000060 1Rh 8s -0.000012 0.000020 0.001126 -0.000057 -0.003163 0.002992 1Rh 1pz 0.764374 0.012583 -0.300822 0.007959 -0.000111 -0.000025 1Rh 1px 0.344199 0.005656 0.926915 -0.024522 0.000283 0.000066 1Rh 1py -0.525434 -0.008692 0.169581 -0.004455 0.000093 0.000020 1Rh 2pz 0.021052 0.000343 -0.008276 0.000216 0.000251 0.000065 1Rh 2px 0.009479 0.000154 0.025498 -0.000667 -0.000640 -0.000182 1Rh 2py -0.014468 -0.000237 0.004663 -0.000122 -0.000212 -0.000051 1Rh 3pz -0.009234 -0.000131 0.003629 -0.000087 0.000090 -0.000079 1Rh 3px -0.004157 -0.000058 -0.011165 0.000269 -0.000243 0.000290 1Rh 3py 0.006342 0.000091 -0.002035 0.000052 -0.000051 0.000051 1Rh 4pz 0.006586 0.000051 -0.002604 0.000070 -0.000150 0.000182 1Rh 4px 0.002966 0.000020 0.007985 -0.000220 0.000405 -0.000667 1Rh 4py -0.004523 -0.000036 0.001442 -0.000048 0.000067 -0.000121 1Rh 5pz -0.003038 0.000054 0.001265 -0.000113 0.000083 -0.000141 1Rh 5px -0.001370 0.000028 -0.003844 0.000359 -0.000162 0.000596 1Rh 5py 0.002087 -0.000037 -0.000673 0.000076 0.000017 0.000118 1Rh 6pz 0.001222 -0.000646 -0.001056 0.000300 0.002234 -0.002404 1Rh 6px 0.000593 -0.000310 0.002877 -0.000854 -0.007141 0.006677 1Rh 6py -0.000870 0.000444 0.000204 -0.000105 -0.002381 0.000640 1Rh 1dz2 -0.000007 0.000002 -0.000005 0.000003 -0.000069 -0.000015 1Rh 1dxz 0.000010 -0.000003 -0.000007 0.000004 -0.000187 -0.000038 1Rh 1dyz 0.000006 -0.000002 -0.000002 0.000001 -0.000052 -0.000010 1Rh 1dx2y2 0.000008 -0.000002 0.000010 -0.000006 0.000398 0.000078 1Rh 1dxy -0.000007 0.000002 0.000006 -0.000002 0.000161 0.000032 1Rh 2dz2 0.000007 -0.000009 0.000002 -0.000012 0.000027 0.000013 1Rh 2dxz -0.000012 0.000014 0.000002 -0.000016 -0.000098 -0.000007 1Rh 2dyz -0.000006 0.000007 0.000001 -0.000002 0.000021 0.000006 1Rh 2dx2y2 -0.000008 0.000009 -0.000003 0.000024 0.000266 0.000035 1Rh 2dxy 0.000008 -0.000010 -0.000003 0.000008 0.000116 0.000016 1Rh 3dz2 -0.000010 0.000022 0.000002 0.000034 -0.000106 -0.000046 1Rh 3dxz 0.000019 -0.000034 0.000005 0.000046 -0.000095 -0.000056 1Rh 3dyz 0.000009 -0.000016 -0.000000 0.000007 -0.000070 -0.000019 1Rh 3dx2y2 0.000012 -0.000023 -0.000006 -0.000069 0.000145 0.000080 1Rh 3dxy -0.000013 0.000024 0.000001 -0.000023 0.000064 0.000032 1Rh 4dz2 0.000010 -0.000040 -0.000017 -0.000095 0.000122 0.000119 1Rh 4dxz -0.000022 0.000064 -0.000026 -0.000128 0.000118 0.000158 1Rh 4dyz -0.000008 0.000031 -0.000003 -0.000021 0.000058 0.000033 1Rh 4dx2y2 -0.000011 0.000042 0.000037 0.000194 -0.000196 -0.000231 1Rh 4dxy 0.000015 -0.000044 0.000009 0.000067 -0.000114 -0.000095 1Rh 5dz2 0.000026 0.000054 0.000094 0.000239 -0.000477 -0.000619 1Rh 5dxz -0.000029 -0.000090 0.000131 0.000325 -0.000538 -0.000837 1Rh 5dyz -0.000025 -0.000046 0.000022 0.000055 -0.000165 -0.000152 1Rh 5dx2y2 -0.000033 -0.000058 -0.000193 -0.000489 0.000861 0.001246 1Rh 5dxy 0.000021 0.000060 -0.000066 -0.000168 0.000405 0.000473 1Rh 1f0 0.000022 0.000003 -0.000009 -0.000019 -0.000007 0.000036 1Rh 1f+1 -0.000004 0.000000 0.000006 0.000016 0.000001 -0.000030 1Rh 1f-1 -0.000010 -0.000001 -0.000000 0.000003 -0.000007 -0.000009 1Rh 1f+2 0.000037 0.000005 0.000011 0.000025 0.000003 -0.000048 1Rh 1f-2 0.000018 0.000002 0.000003 0.000010 -0.000003 -0.000020 1Rh 1f+3 -0.000025 -0.000003 0.000014 0.000029 0.000007 -0.000056 1Rh 1f-3 0.000008 0.000001 0.000009 0.000018 0.000007 -0.000033 2C 1s -0.000001 0.000001 0.000001 -0.000001 0.000001 -0.000003 2C 2s 0.000004 -0.000003 -0.000004 0.000004 -0.000004 0.000011 2C 3s -0.000014 0.000003 -0.000043 0.000042 0.000372 0.000474 2C 4s 0.000011 0.000018 0.000465 -0.000465 -0.002218 -0.003129 2C 5s 0.000117 -0.000253 -0.000375 0.000160 0.002522 0.001898 2C 1pz 0.000001 -0.000003 -0.000003 0.000003 0.000017 0.000025 2C 1px 0.000003 -0.000004 0.000002 0.000003 0.000003 -0.000017 2C 1py -0.000005 0.000008 -0.000001 0.000002 0.000017 0.000019 2C 2pz -0.000024 0.000047 0.000349 -0.000371 -0.000925 -0.001340 2C 2px -0.000031 0.000024 0.000077 -0.000068 -0.000167 -0.000126 2C 2py -0.000002 -0.000040 0.000233 -0.000239 -0.000665 -0.000943 2C 3pz -0.000025 -0.000060 -0.000133 0.000107 0.000469 0.000251 2C 3px 0.000064 0.000052 -0.000106 0.000048 -0.000601 -0.000153 2C 3py 0.000099 -0.000027 -0.000086 0.000051 0.000263 0.000360 2C 1dz2 0.000006 -0.000003 0.000009 -0.000008 -0.000045 -0.000024 2C 1dxz -0.000000 -0.000005 0.000005 -0.000007 0.000016 -0.000028 2C 1dyz -0.000002 0.000001 0.000011 -0.000010 -0.000039 -0.000073 2C 1dx2y2 0.000001 -0.000005 -0.000006 0.000007 0.000022 -0.000004 2C 1dxy -0.000002 -0.000002 0.000000 -0.000002 0.000008 -0.000034 2C 2dz2 -0.000046 0.000024 0.000084 -0.000070 -0.000156 -0.000336 2C 2dxz -0.000006 0.000011 -0.000003 -0.000047 -0.000215 -0.000214 2C 2dyz 0.000003 0.000005 0.000125 -0.000113 -0.000338 -0.000320 2C 2dx2y2 -0.000024 0.000030 -0.000021 0.000042 0.000022 0.000258 2C 2dxy 0.000005 0.000021 0.000003 -0.000035 -0.000105 -0.000017 2C 1f0 -0.000009 0.000001 0.000010 0.000002 -0.000009 -0.000030 2C 1f+1 0.000002 0.000004 0.000005 -0.000013 -0.000033 -0.000023 2C 1f-1 0.000001 0.000002 0.000008 -0.000005 -0.000066 -0.000110 2C 1f+2 -0.000002 0.000003 -0.000011 0.000004 0.000037 0.000059 2C 1f-2 -0.000002 0.000001 -0.000005 -0.000008 -0.000045 -0.000043 2C 1f+3 -0.000003 -0.000003 -0.000001 -0.000004 -0.000019 -0.000003 2C 1f-3 0.000003 -0.000005 0.000009 -0.000004 -0.000001 -0.000007 3C 1s -0.000002 0.000001 0.000001 -0.000001 0.000000 -0.000002 3C 2s 0.000006 -0.000004 -0.000003 0.000005 -0.000001 0.000009 3C 3s -0.000017 -0.000010 -0.000046 0.000039 0.000344 0.000486 3C 4s -0.000024 0.000123 0.000467 -0.000467 -0.002128 -0.003169 3C 5s 0.000556 -0.000885 -0.000239 0.000226 0.002629 0.001811 3C 1pz -0.000001 0.000001 -0.000002 0.000001 0.000014 0.000032 3C 1px -0.000000 -0.000004 0.000001 0.000003 0.000008 -0.000004 3C 1py 0.000000 -0.000002 0.000004 -0.000003 -0.000010 -0.000022 3C 2pz -0.000034 0.000049 0.000198 -0.000212 -0.000582 -0.000957 3C 2px -0.000057 0.000056 0.000143 -0.000134 -0.000330 -0.000426 3C 2py 0.000111 -0.000110 -0.000351 0.000367 0.000859 0.001340 3C 3pz -0.000016 -0.000089 -0.000014 0.000048 0.000599 0.000402 3C 3px 0.000148 0.000025 -0.000083 0.000029 -0.000334 0.000186 3C 3py -0.000127 0.000179 0.000127 -0.000141 -0.000375 -0.000095 3C 1dz2 0.000003 0.000000 -0.000000 0.000001 0.000004 0.000027 3C 1dxz 0.000001 -0.000001 0.000005 -0.000007 -0.000009 -0.000014 3C 1dyz -0.000004 0.000001 -0.000009 0.000008 0.000049 0.000058 3C 1dx2y2 -0.000003 -0.000007 -0.000011 0.000010 0.000041 0.000016 3C 1dxy 0.000007 0.000007 -0.000007 0.000008 -0.000011 0.000057 3C 2dz2 0.000003 -0.000015 -0.000013 0.000030 0.000075 0.000035 3C 2dxz -0.000018 0.000006 0.000012 -0.000057 -0.000054 -0.000219 3C 2dyz 0.000084 -0.000079 -0.000122 0.000091 0.000200 0.000280 3C 2dx2y2 0.000019 0.000005 -0.000074 0.000065 0.000182 0.000436 3C 2dxy -0.000002 -0.000043 -0.000045 0.000081 0.000302 0.000202 3C 1f0 0.000001 -0.000003 -0.000001 0.000002 0.000043 0.000058 3C 1f+1 -0.000001 0.000000 0.000007 -0.000001 0.000004 -0.000004 3C 1f-1 0.000008 -0.000002 -0.000004 -0.000002 -0.000008 0.000003 3C 1f+2 0.000002 0.000000 -0.000008 -0.000002 0.000038 0.000090 3C 1f-2 -0.000004 -0.000004 -0.000005 0.000010 0.000054 0.000057 3C 1f+3 0.000002 0.000001 0.000004 -0.000015 -0.000046 -0.000053 3C 1f-3 0.000000 0.000004 -0.000016 0.000001 0.000014 0.000040 4C 1s -0.000002 0.000001 0.000002 -0.000003 -0.000003 -0.000005 4C 2s 0.000005 -0.000004 -0.000008 0.000009 0.000014 0.000026 4C 3s -0.000132 0.000133 -0.000044 0.000051 -0.000551 -0.000754 4C 4s 0.000564 -0.000586 0.000842 -0.000880 0.002181 0.002684 4C 5s 0.000379 -0.000342 0.000162 -0.000165 -0.001219 -0.000883 4C 1pz -0.000016 0.000010 -0.000011 0.000007 0.000092 0.000092 4C 1px 0.000008 0.000016 0.000004 0.000005 -0.000065 0.000084 4C 1py 0.000002 0.000003 -0.000004 0.000005 0.000030 0.000080 4C 2pz 0.000204 -0.000076 0.000590 -0.000438 -0.001490 -0.001031 4C 2px -0.000190 -0.000247 -0.000191 -0.000301 0.001512 -0.001724 4C 2py -0.000018 -0.000071 0.000274 -0.000370 -0.000321 -0.001234 4C 3pz 0.000536 -0.000504 -0.000500 0.000310 0.000007 -0.000807 4C 3px 0.000097 -0.000179 0.000035 0.000090 -0.000521 0.000536 4C 3py 0.000120 -0.000165 -0.000308 0.000226 -0.000310 -0.000403 4C 1dz2 -0.000005 0.000003 0.000020 -0.000015 -0.000028 -0.000010 4C 1dxz -0.000005 0.000007 0.000000 -0.000010 0.000022 -0.000030 4C 1dyz -0.000008 0.000011 0.000033 -0.000033 -0.000019 -0.000034 4C 1dx2y2 0.000018 -0.000013 -0.000002 0.000005 0.000013 0.000015 4C 1dxy -0.000002 -0.000008 0.000005 -0.000011 0.000017 -0.000027 4C 2dz2 0.000043 0.000068 -0.000209 0.000276 -0.000098 0.000638 4C 2dxz -0.000129 -0.000035 -0.000276 0.000193 0.000481 -0.000414 4C 2dyz 0.000063 -0.000095 -0.000268 0.000275 0.000480 0.000758 4C 2dx2y2 0.000009 -0.000082 0.000255 -0.000292 0.000128 -0.000032 4C 2dxy 0.000036 -0.000050 -0.000027 -0.000050 0.000593 -0.000076 4C 1f0 -0.000004 0.000003 -0.000028 -0.000016 -0.000058 -0.000063 4C 1f+1 -0.000015 0.000011 0.000007 0.000037 -0.000073 -0.000152 4C 1f-1 0.000009 0.000001 0.000005 -0.000011 -0.000130 -0.000080 4C 1f+2 0.000022 -0.000001 0.000032 0.000008 0.000060 0.000183 4C 1f-2 -0.000002 -0.000009 0.000024 0.000018 0.000044 -0.000090 4C 1f+3 0.000014 0.000015 0.000033 0.000022 -0.000032 0.000031 4C 1f-3 0.000003 0.000024 -0.000003 0.000024 -0.000137 -0.000057 5C 1s -0.000004 0.000003 0.000002 -0.000003 -0.000003 -0.000005 5C 2s 0.000012 -0.000011 -0.000008 0.000009 0.000014 0.000027 5C 3s -0.000338 0.000341 -0.000037 0.000061 -0.000506 -0.000747 5C 4s 0.001503 -0.001548 0.000793 -0.000951 0.001914 0.002677 5C 5s 0.000833 -0.000715 0.000196 -0.000110 -0.001060 -0.001152 5C 1pz -0.000025 0.000005 -0.000004 0.000003 0.000065 0.000044 5C 1px 0.000020 0.000037 0.000001 0.000009 -0.000060 0.000094 5C 1py 0.000025 -0.000014 0.000009 -0.000009 -0.000086 -0.000098 5C 2pz 0.000333 0.000021 0.000349 -0.000224 -0.001173 -0.000490 5C 2px -0.000432 -0.000644 -0.000052 -0.000461 0.001560 -0.001800 5C 2py -0.000318 0.000113 -0.000521 0.000476 0.001313 0.001290 5C 3pz 0.000744 -0.000716 -0.000249 0.000208 0.000157 -0.000687 5C 3px 0.000326 -0.000505 -0.000086 0.000258 -0.000685 -0.000131 5C 3py -0.001037 0.001049 0.000348 -0.000383 -0.000167 0.000849 5C 1dz2 -0.000009 0.000010 -0.000006 0.000011 -0.000011 0.000014 5C 1dxz -0.000022 0.000021 0.000004 -0.000008 0.000007 -0.000032 5C 1dyz 0.000007 -0.000009 -0.000030 0.000030 0.000037 0.000019 5C 1dx2y2 0.000035 -0.000037 -0.000017 0.000011 0.000025 0.000008 5C 1dxy 0.000022 -0.000012 -0.000013 0.000022 -0.000021 0.000039 5C 2dz2 -0.000079 0.000216 -0.000037 0.000082 -0.000398 -0.000140 5C 2dxz -0.000163 -0.000019 -0.000221 0.000195 0.000327 -0.000029 5C 2dyz -0.000269 0.000131 0.000168 -0.000220 -0.000224 -0.000867 5C 2dx2y2 -0.000023 -0.000182 0.000321 -0.000407 0.000301 -0.000461 5C 2dxy 0.000099 0.000177 0.000258 -0.000173 -0.000783 0.000003 5C 1f0 -0.000044 -0.000005 -0.000027 -0.000001 0.000055 -0.000013 5C 1f+1 -0.000001 0.000049 -0.000003 0.000023 -0.000110 -0.000041 5C 1f-1 -0.000013 -0.000010 0.000011 0.000006 0.000053 -0.000009 5C 1f+2 0.000009 0.000016 0.000024 0.000032 0.000058 0.000074 5C 1f-2 0.000052 0.000016 0.000002 -0.000010 -0.000002 0.000194 5C 1f+3 0.000001 0.000049 0.000023 0.000040 -0.000123 -0.000134 5C 1f-3 0.000031 -0.000031 0.000037 0.000008 0.000119 0.000105 6C 1s 0.000003 -0.000004 0.000002 -0.000003 -0.000004 -0.000004 6C 2s -0.000011 0.000012 -0.000008 0.000009 0.000020 0.000022 6C 3s 0.000352 -0.000326 -0.000058 0.000041 -0.000511 -0.000749 6C 4s -0.001598 0.001446 0.000907 -0.000845 0.001794 0.002789 6C 5s -0.000740 0.000808 0.000098 -0.000203 -0.000684 -0.001409 6C 1pz -0.000006 0.000025 0.000002 -0.000004 -0.000018 -0.000077 6C 1px -0.000036 -0.000021 0.000009 0.000001 -0.000109 0.000021 6C 1py 0.000015 -0.000025 -0.000008 0.000010 0.000060 0.000116 6C 2pz -0.000010 -0.000334 -0.000204 0.000361 0.000029 0.001263 6C 2px 0.000630 0.000451 -0.000464 -0.000028 0.002239 -0.000785 6C 2py -0.000124 0.000314 0.000448 -0.000547 -0.000724 -0.001683 6C 3pz 0.000741 -0.000719 0.000196 -0.000259 0.000704 0.000091 6C 3px 0.000514 -0.000308 0.000252 -0.000100 -0.000135 0.000690 6C 3py -0.001085 0.001000 -0.000366 0.000367 -0.000864 -0.000140 6C 1dz2 0.000010 -0.000009 -0.000011 0.000006 0.000017 -0.000005 6C 1dxz 0.000021 -0.000021 0.000007 -0.000004 -0.000032 -0.000006 6C 1dyz -0.000010 0.000007 -0.000028 0.000032 0.000005 0.000041 6C 1dx2y2 -0.000038 0.000034 -0.000010 0.000018 -0.000001 0.000026 6C 1dxy -0.000013 0.000021 -0.000021 0.000014 0.000043 -0.000004 6C 2dz2 0.000219 -0.000072 -0.000079 0.000041 0.000016 -0.000424 6C 2dxz -0.000013 -0.000163 -0.000183 0.000231 -0.000145 0.000289 6C 2dyz 0.000140 -0.000263 0.000211 -0.000179 -0.000725 -0.000527 6C 2dx2y2 -0.000182 -0.000029 0.000389 -0.000343 -0.000539 0.000116 6C 2dxy 0.000173 0.000104 0.000158 -0.000267 0.000287 -0.000724 6C 1f0 0.000004 0.000044 -0.000003 -0.000027 0.000032 -0.000046 6C 1f+1 -0.000049 -0.000001 0.000023 -0.000004 -0.000002 0.000118 6C 1f-1 0.000009 0.000014 0.000007 0.000011 0.000028 -0.000046 6C 1f+2 -0.000015 -0.000009 0.000034 0.000022 -0.000048 -0.000081 6C 1f-2 -0.000014 -0.000052 -0.000010 0.000003 -0.000181 -0.000070 6C 1f+3 -0.000049 -0.000003 0.000042 0.000021 0.000080 0.000164 6C 1f-3 0.000032 -0.000030 0.000010 0.000037 -0.000054 -0.000150 7C 1s 0.000001 -0.000002 0.000002 -0.000003 -0.000004 -0.000004 7C 2s -0.000004 0.000005 -0.000008 0.000009 0.000019 0.000022 7C 3s 0.000137 -0.000129 -0.000049 0.000046 -0.000505 -0.000790 7C 4s -0.000605 0.000551 0.000838 -0.000887 0.001724 0.003030 7C 5s -0.000348 0.000365 0.000156 -0.000170 -0.000363 -0.001463 7C 1pz -0.000010 0.000016 0.000006 -0.000011 -0.000052 -0.000119 7C 1px -0.000015 -0.000009 0.000005 0.000004 -0.000102 0.000030 7C 1py -0.000003 -0.000002 0.000005 -0.000004 -0.000063 -0.000058 7C 2pz 0.000082 -0.000200 -0.000405 0.000611 0.000415 0.001755 7C 2px 0.000237 0.000199 -0.000312 -0.000177 0.002145 -0.000778 7C 2py 0.000069 0.000021 -0.000358 0.000294 0.001030 0.000751 7C 3pz 0.000519 -0.000519 0.000284 -0.000520 0.000750 0.000281 7C 3px 0.000179 -0.000093 0.000091 0.000030 -0.000700 0.000293 7C 3py 0.000168 -0.000116 0.000210 -0.000324 0.000253 0.000428 7C 1dz2 0.000003 -0.000005 0.000014 -0.000021 0.000000 -0.000030 7C 1dxz 0.000007 -0.000005 0.000010 -0.000001 -0.000036 0.000010 7C 1dyz 0.000012 -0.000008 0.000031 -0.000035 -0.000025 -0.000030 7C 1dx2y2 -0.000014 0.000018 -0.000005 0.000002 0.000010 0.000017 7C 1dxy -0.000008 -0.000002 0.000011 -0.000006 -0.000031 0.000006 7C 2dz2 0.000066 0.000046 -0.000265 0.000222 0.000625 0.000139 7C 2dxz -0.000030 -0.000130 -0.000177 0.000286 -0.000561 0.000292 7C 2dyz -0.000097 0.000061 -0.000261 0.000283 0.000534 0.000724 7C 2dx2y2 -0.000081 0.000007 0.000279 -0.000270 -0.000074 0.000110 7C 2dxy -0.000051 0.000034 0.000052 0.000026 -0.000286 0.000526 7C 1f0 -0.000003 0.000004 -0.000017 -0.000028 0.000037 0.000076 7C 1f+1 -0.000012 0.000014 0.000038 0.000006 0.000115 0.000123 7C 1f-1 -0.000001 -0.000009 -0.000011 0.000005 0.000028 0.000150 7C 1f+2 0.000002 -0.000022 0.000009 0.000031 -0.000149 -0.000123 7C 1f-2 0.000009 0.000002 0.000019 0.000023 0.000100 -0.000008 7C 1f+3 -0.000014 -0.000015 0.000024 0.000032 -0.000040 0.000019 7C 1f-3 -0.000024 -0.000004 0.000024 -0.000004 0.000005 0.000149 8C 1s 0.000001 -0.000002 0.000001 -0.000001 -0.000002 -0.000001 8C 2s -0.000004 0.000006 -0.000004 0.000004 0.000009 0.000002 8C 3s -0.000010 -0.000018 -0.000036 0.000048 0.000327 0.000498 8C 4s 0.000124 -0.000017 0.000441 -0.000491 -0.002174 -0.003137 8C 5s -0.000908 0.000523 -0.000214 0.000251 0.000708 0.003139 8C 1pz -0.000001 0.000001 0.000001 -0.000002 -0.000024 -0.000025 8C 1px 0.000004 0.000001 0.000003 0.000001 0.000007 -0.000006 8C 1py 0.000002 -0.000000 -0.000002 0.000004 0.000017 0.000017 8C 2pz -0.000050 0.000032 -0.000201 0.000209 0.000678 0.000889 8C 2px -0.000059 0.000056 -0.000126 0.000150 0.000274 0.000460 8C 2py 0.000112 -0.000106 0.000348 -0.000370 -0.000935 -0.001290 8C 3pz 0.000089 0.000020 0.000047 -0.000016 -0.000154 -0.000705 8C 3px -0.000019 -0.000150 0.000026 -0.000085 -0.000288 0.000249 8C 3py -0.000183 0.000120 -0.000134 0.000134 -0.000048 0.000393 8C 1dz2 0.000000 0.000003 -0.000001 0.000000 0.000024 0.000014 8C 1dxz -0.000001 0.000001 0.000007 -0.000005 -0.000010 -0.000013 8C 1dyz 0.000001 -0.000004 -0.000008 0.000009 0.000036 0.000067 8C 1dx2y2 -0.000007 -0.000004 -0.000009 0.000011 -0.000001 0.000044 8C 1dxy 0.000007 0.000007 -0.000008 0.000007 0.000057 0.000011 8C 2dz2 -0.000016 0.000002 -0.000029 0.000015 0.000003 0.000083 8C 2dxz 0.000006 -0.000018 0.000056 -0.000015 -0.000184 -0.000131 8C 2dyz -0.000082 0.000080 -0.000084 0.000126 0.000186 0.000290 8C 2dx2y2 0.000005 0.000019 -0.000061 0.000077 0.000340 0.000326 8C 2dxy -0.000043 -0.000003 -0.000078 0.000048 0.000079 0.000355 8C 1f0 0.000003 -0.000001 0.000002 -0.000001 -0.000038 -0.000061 8C 1f+1 -0.000000 0.000001 -0.000001 0.000007 0.000005 -0.000003 8C 1f-1 0.000003 -0.000008 -0.000003 -0.000004 -0.000005 0.000006 8C 1f+2 0.000000 -0.000002 -0.000002 -0.000008 -0.000070 -0.000068 8C 1f-2 0.000004 0.000005 0.000010 -0.000005 -0.000033 -0.000071 8C 1f+3 -0.000000 -0.000002 -0.000015 0.000005 0.000032 0.000062 8C 1f-3 -0.000004 -0.000001 -0.000000 -0.000016 -0.000032 -0.000028 9C 1s 0.000001 -0.000001 0.000001 -0.000001 -0.000003 -0.000000 9C 2s -0.000003 0.000004 -0.000004 0.000004 0.000012 0.000000 9C 3s 0.000003 -0.000013 -0.000039 0.000045 0.000305 0.000520 9C 4s 0.000021 0.000009 0.000439 -0.000489 -0.002105 -0.003207 9C 5s -0.000263 0.000114 -0.000142 0.000389 0.000840 0.003066 9C 1pz 0.000003 -0.000001 0.000003 -0.000003 -0.000017 -0.000025 9C 1px 0.000004 -0.000003 0.000003 0.000002 0.000017 0.000004 9C 1py -0.000008 0.000005 0.000002 -0.000001 -0.000011 -0.000023 9C 2pz -0.000049 0.000025 -0.000351 0.000367 0.000911 0.001350 9C 2px -0.000027 0.000030 -0.000063 0.000080 0.000055 0.000199 9C 2py 0.000039 0.000006 -0.000227 0.000246 0.000635 0.000964 9C 3pz 0.000059 0.000027 0.000100 -0.000138 -0.000068 -0.000539 9C 3px -0.000048 -0.000063 0.000043 -0.000109 -0.000072 0.000620 9C 3py 0.000031 -0.000099 0.000049 -0.000092 -0.000231 -0.000365 9C 1dz2 -0.000004 0.000006 0.000007 -0.000009 -0.000006 -0.000051 9C 1dxz -0.000005 -0.000000 0.000007 -0.000005 -0.000032 0.000005 9C 1dyz 0.000001 -0.000002 0.000010 -0.000012 -0.000054 -0.000063 9C 1dx2y2 -0.000005 0.000001 -0.000007 0.000007 -0.000011 0.000020 9C 1dxy -0.000002 -0.000002 0.000002 -0.000000 -0.000035 -0.000004 9C 2dz2 0.000027 -0.000046 0.000065 -0.000088 -0.000252 -0.000264 9C 2dxz 0.000011 -0.000007 0.000048 0.000001 -0.000122 -0.000274 9C 2dyz 0.000006 0.000002 0.000106 -0.000131 -0.000177 -0.000435 9C 2dx2y2 0.000030 -0.000023 -0.000041 0.000024 0.000233 0.000118 9C 2dxy 0.000021 0.000005 0.000034 -0.000005 0.000026 -0.000109 9C 1f0 -0.000001 0.000009 0.000003 0.000010 0.000024 0.000018 9C 1f+1 -0.000004 -0.000002 -0.000013 0.000005 0.000009 0.000039 9C 1f-1 -0.000002 -0.000001 -0.000004 0.000009 0.000078 0.000102 9C 1f+2 -0.000003 0.000002 0.000003 -0.000011 -0.000042 -0.000057 9C 1f-2 -0.000001 0.000001 -0.000009 -0.000005 0.000023 0.000057 9C 1f+3 0.000003 0.000003 -0.000004 -0.000001 -0.000004 0.000019 9C 1f-3 0.000005 -0.000003 -0.000003 0.000010 0.000006 0.000004 10H 1s -0.000001 0.000003 -0.000008 0.000007 -0.000017 0.000005 10H 2s 0.000027 -0.000036 -0.000008 -0.000069 0.000062 -0.000231 10H 3s -0.000032 -0.000009 0.000018 0.000059 -0.000045 0.000056 10H 1pz 0.000004 -0.000005 -0.000003 -0.000006 0.000043 0.000022 10H 1px -0.000004 0.000001 0.000004 0.000008 0.000008 0.000007 10H 1py 0.000001 -0.000004 -0.000002 -0.000002 0.000019 0.000012 11H 1s -0.000006 0.000006 0.000002 -0.000003 0.000050 0.000034 11H 2s 0.000037 0.000009 0.000037 -0.000010 -0.000152 0.000143 11H 3s -0.000000 -0.000012 -0.000087 0.000086 -0.000632 -0.000613 11H 1pz 0.000004 0.000003 -0.000004 0.000006 -0.000006 0.000044 11H 1px 0.000002 0.000003 0.000007 -0.000004 0.000018 0.000062 11H 1py -0.000003 -0.000001 -0.000012 0.000010 -0.000016 -0.000014 12H 1s -0.000009 0.000001 -0.000002 0.000000 0.000044 0.000010 12H 2s 0.000006 -0.000024 0.000051 -0.000002 -0.000272 0.000080 12H 3s 0.000076 0.000055 -0.000071 0.000051 -0.000459 -0.000343 12H 1pz 0.000009 -0.000000 -0.000010 0.000008 -0.000014 0.000020 12H 1px -0.000003 0.000000 0.000005 -0.000002 0.000003 0.000050 12H 1py 0.000002 -0.000009 0.000005 0.000003 -0.000010 0.000041 13H 1s -0.000001 0.000004 -0.000007 0.000005 -0.000017 0.000012 13H 2s 0.000019 -0.000055 -0.000010 -0.000068 0.000063 -0.000249 13H 3s -0.000066 0.000057 0.000006 0.000073 -0.000066 -0.000026 13H 1pz 0.000004 -0.000005 -0.000005 -0.000006 0.000013 0.000004 13H 1px 0.000002 -0.000001 0.000002 0.000008 0.000006 0.000006 13H 1py 0.000000 0.000005 0.000003 0.000003 -0.000046 -0.000018 14H 1s -0.000010 0.000001 -0.000003 0.000001 0.000040 0.000003 14H 2s 0.000036 0.000013 0.000051 0.000001 -0.000296 0.000039 14H 3s 0.000001 0.000072 -0.000068 0.000035 -0.000380 -0.000242 14H 1pz 0.000004 -0.000004 0.000001 0.000004 -0.000012 0.000007 14H 1px -0.000003 0.000006 0.000008 0.000000 -0.000004 0.000049 14H 1py -0.000005 0.000000 0.000007 -0.000006 0.000008 -0.000033 15H 1s -0.000013 0.000006 0.000003 -0.000003 0.000050 0.000041 15H 2s -0.000029 0.000039 0.000029 -0.000007 -0.000097 0.000127 15H 3s 0.000054 0.000047 -0.000100 0.000087 -0.000651 -0.000656 15H 1pz 0.000014 -0.000008 -0.000014 0.000012 -0.000028 -0.000040 15H 1px -0.000002 0.000004 -0.000001 0.000003 0.000008 0.000031 15H 1py 0.000003 -0.000002 0.000004 -0.000006 -0.000006 -0.000054 16H 1s 0.000000 -0.000001 -0.000017 0.000031 -0.000049 0.000080 16H 2s -0.000010 -0.000015 0.000050 0.000102 0.000227 -0.001147 16H 3s 0.000018 -0.000004 0.000016 -0.000048 -0.000017 0.000286 16H 1pz 0.000002 -0.000021 0.000006 0.000010 0.000062 -0.000226 16H 1px -0.000003 0.000008 -0.000010 0.000013 -0.000043 0.000086 16H 1py -0.000003 0.000003 -0.000003 -0.000003 0.000008 -0.000011 17H 1s -0.000003 0.000006 -0.000017 0.000031 -0.000049 0.000081 17H 2s 0.000051 -0.000048 0.000053 0.000113 0.000222 -0.001104 17H 3s -0.000034 0.000015 0.000016 -0.000047 -0.000024 0.000304 17H 1pz -0.000009 0.000004 0.000002 -0.000017 -0.000019 0.000114 17H 1px 0.000003 -0.000030 -0.000013 -0.000002 -0.000071 0.000203 17H 1py 0.000004 0.000005 -0.000002 0.000000 0.000016 -0.000034 18H 1s 0.000006 -0.000003 -0.000030 0.000019 0.000093 -0.000016 18H 2s -0.000047 0.000047 -0.000113 -0.000048 -0.001105 -0.000193 18H 3s 0.000017 -0.000033 0.000046 -0.000018 0.000292 0.000089 18H 1pz -0.000004 0.000008 -0.000017 0.000003 -0.000115 -0.000023 18H 1px 0.000031 -0.000003 -0.000002 -0.000013 -0.000213 -0.000007 18H 1py -0.000006 -0.000004 -0.000000 -0.000002 0.000033 -0.000003 19H 1s -0.000001 0.000000 -0.000030 0.000019 0.000092 -0.000016 19H 2s -0.000013 -0.000013 -0.000105 -0.000045 -0.001154 -0.000207 19H 3s -0.000004 0.000018 0.000047 -0.000019 0.000272 0.000088 19H 1pz 0.000019 -0.000000 0.000011 0.000005 0.000232 0.000025 19H 1px -0.000007 0.000002 0.000012 -0.000011 -0.000098 0.000008 19H 1py -0.000003 0.000003 -0.000002 -0.000003 0.000019 -0.000002 20H 1s 0.000006 -0.000013 0.000003 -0.000003 0.000019 0.000061 20H 2s 0.000039 -0.000027 0.000005 -0.000030 0.000156 -0.000049 20H 3s 0.000047 0.000057 -0.000081 0.000105 -0.000369 -0.000847 20H 1pz 0.000009 -0.000014 0.000011 -0.000015 0.000027 0.000040 20H 1px -0.000004 0.000002 0.000002 -0.000001 -0.000027 -0.000019 20H 1py 0.000002 -0.000003 -0.000006 0.000004 0.000048 0.000024 21H 1s 0.000001 -0.000010 -0.000001 0.000003 -0.000012 0.000039 21H 2s 0.000012 0.000036 -0.000003 -0.000050 0.000146 -0.000261 21H 3s 0.000072 0.000005 -0.000032 0.000070 -0.000089 -0.000452 21H 1pz 0.000004 -0.000004 0.000004 0.000000 -0.000011 0.000008 21H 1px -0.000006 0.000003 0.000001 0.000008 -0.000048 -0.000015 21H 1py -0.000000 0.000005 -0.000006 0.000007 0.000034 0.000004 22H 1s 0.000004 -0.000001 -0.000005 0.000007 0.000017 -0.000012 22H 2s -0.000056 0.000018 0.000068 0.000007 -0.000254 -0.000034 22H 3s 0.000060 -0.000064 -0.000073 -0.000003 0.000005 -0.000069 22H 1pz 0.000005 -0.000003 -0.000006 -0.000004 0.000001 -0.000014 22H 1px 0.000001 -0.000002 0.000008 0.000001 -0.000003 -0.000008 22H 1py -0.000005 -0.000001 0.000003 0.000002 -0.000000 0.000050 23H 1s 0.000001 -0.000009 -0.000000 0.000002 -0.000006 0.000045 23H 2s -0.000023 0.000004 -0.000000 -0.000051 0.000176 -0.000222 23H 3s 0.000053 0.000077 -0.000048 0.000074 -0.000157 -0.000567 23H 1pz 0.000001 -0.000009 0.000008 -0.000010 -0.000023 0.000006 23H 1px -0.000000 0.000003 -0.000001 0.000005 -0.000045 -0.000021 23H 1py 0.000009 -0.000001 0.000003 0.000005 -0.000043 -0.000005 24H 1s 0.000006 -0.000006 0.000003 -0.000002 0.000013 0.000059 24H 2s 0.000009 0.000037 0.000008 -0.000038 0.000191 -0.000097 24H 3s -0.000012 -0.000003 -0.000080 0.000090 -0.000333 -0.000809 24H 1pz -0.000003 -0.000004 0.000006 -0.000004 -0.000043 -0.000009 24H 1px -0.000003 -0.000002 -0.000003 0.000007 -0.000053 -0.000039 24H 1py 0.000001 0.000003 0.000010 -0.000012 0.000005 0.000019 25H 1s 0.000003 -0.000001 -0.000006 0.000008 0.000010 -0.000014 25H 2s -0.000036 0.000025 0.000070 0.000005 -0.000236 -0.000027 25H 3s -0.000006 -0.000032 -0.000060 -0.000015 0.000072 -0.000021 25H 1pz 0.000005 -0.000004 -0.000007 -0.000003 -0.000005 -0.000048 25H 1px -0.000001 0.000003 0.000008 0.000003 -0.000003 -0.000010 25H 1py 0.000004 -0.000001 -0.000002 -0.000002 -0.000005 -0.000022 26O 1s 0.000000 -0.000002 -0.000001 -0.000003 0.000005 0.000003 26O 2s -0.000001 0.000008 0.000004 0.000011 -0.000032 -0.000022 26O 3s 0.000007 -0.000055 -0.000028 -0.000105 0.000364 0.000269 26O 4s -0.000004 0.000082 0.000044 0.000409 -0.001109 -0.001778 26O 5s -0.000120 0.000556 -0.000262 0.000177 -0.001282 0.006706 26O 1pz -0.000003 -0.000000 -0.000007 0.000013 0.000041 -0.000039 26O 1px -0.000001 0.000014 0.000001 -0.000010 -0.000053 0.000043 26O 1py 0.000005 -0.000026 -0.000003 0.000005 0.000005 -0.000009 26O 2pz 0.000012 -0.000051 0.000059 -0.000067 -0.000078 -0.000016 26O 2px 0.000011 -0.000142 -0.000001 -0.000070 0.000625 -0.000266 26O 2py -0.000027 0.000019 0.000033 -0.000072 0.000184 -0.000102 26O 3pz -0.000040 0.000304 0.000186 -0.000304 -0.000332 0.003252 26O 3px 0.000051 -0.000169 0.000436 -0.000765 0.000880 0.000036 26O 3py 0.000133 -0.000275 0.000280 -0.000443 0.000133 0.001907 26O 1dz2 0.000001 -0.000006 -0.000000 0.000013 0.000021 -0.000035 26O 1dxz 0.000004 0.000006 -0.000009 -0.000018 -0.000022 -0.000020 26O 1dyz -0.000003 -0.000029 0.000002 0.000003 0.000021 -0.000083 26O 1dx2y2 0.000005 0.000010 0.000009 -0.000000 0.000003 -0.000002 26O 1dxy 0.000001 -0.000011 0.000001 -0.000013 -0.000008 -0.000038 26O 2dz2 -0.000002 0.000005 0.000015 -0.000055 0.000021 0.000173 26O 2dxz -0.000008 -0.000012 0.000018 0.000085 0.000053 0.000109 26O 2dyz 0.000009 0.000086 0.000005 0.000010 -0.000091 0.000378 26O 2dx2y2 -0.000021 -0.000007 -0.000032 0.000015 -0.000134 -0.000029 26O 2dxy -0.000000 0.000063 -0.000010 0.000079 -0.000095 0.000157 26O 1f0 -0.000000 -0.000012 0.000001 0.000007 -0.000003 -0.000003 26O 1f+1 -0.000002 0.000004 0.000003 0.000009 -0.000011 0.000027 26O 1f-1 -0.000000 0.000022 -0.000004 -0.000004 -0.000012 0.000028 26O 1f+2 -0.000002 -0.000018 -0.000001 -0.000011 0.000001 -0.000019 26O 1f-2 -0.000003 0.000005 -0.000000 -0.000001 0.000005 0.000028 26O 1f+3 -0.000003 0.000001 -0.000001 -0.000006 -0.000011 0.000009 26O 1f-3 -0.000000 0.000011 0.000002 0.000007 -0.000019 0.000007 27O 1s 0.000001 -0.000006 -0.000001 -0.000002 0.000005 0.000003 27O 2s -0.000002 0.000020 0.000003 0.000009 -0.000033 -0.000018 27O 3s 0.000020 -0.000139 -0.000023 -0.000096 0.000379 0.000243 27O 4s -0.000021 0.000225 0.000020 0.000379 -0.001184 -0.001689 27O 5s -0.000352 0.001357 -0.000314 0.000398 -0.001413 0.006204 27O 1pz -0.000003 -0.000013 -0.000004 0.000011 0.000032 -0.000034 27O 1px -0.000000 0.000010 -0.000002 -0.000004 -0.000052 0.000028 27O 1py 0.000000 0.000033 0.000007 -0.000013 -0.000033 0.000038 27O 2pz 0.000006 -0.000007 0.000032 -0.000042 -0.000131 0.000039 27O 2px 0.000015 -0.000313 0.000028 -0.000126 0.000700 -0.000194 27O 2py 0.000010 0.000044 -0.000062 0.000086 -0.000011 0.000017 27O 3pz -0.000047 0.000399 0.000045 -0.000006 -0.000373 0.001752 27O 3px 0.000267 -0.000676 0.000498 -0.000808 0.000859 0.000329 27O 3py -0.000089 -0.000154 -0.000208 0.000317 0.000228 -0.002807 27O 1dz2 -0.000001 0.000021 -0.000003 0.000005 0.000000 0.000035 27O 1dxz 0.000001 -0.000004 -0.000009 -0.000010 -0.000012 -0.000016 27O 1dyz 0.000003 0.000059 -0.000006 -0.000011 -0.000029 0.000076 27O 1dx2y2 0.000008 0.000024 0.000005 -0.000013 -0.000014 0.000019 27O 1dxy -0.000003 0.000027 0.000007 0.000017 0.000013 0.000048 27O 2dz2 0.000011 -0.000113 0.000015 -0.000044 0.000105 -0.000128 27O 2dxz 0.000006 -0.000000 0.000026 0.000043 0.000069 0.000098 27O 2dyz -0.000008 -0.000180 0.000002 0.000027 0.000102 -0.000333 27O 2dx2y2 -0.000040 0.000011 -0.000032 0.000073 -0.000119 -0.000125 27O 2dxy -0.000002 -0.000118 -0.000013 -0.000097 0.000026 -0.000222 27O 1f0 0.000003 -0.000034 0.000004 0.000010 0.000009 -0.000017 27O 1f+1 -0.000002 0.000007 0.000002 0.000006 -0.000015 0.000002 27O 1f-1 -0.000001 -0.000004 0.000001 -0.000000 0.000007 0.000002 27O 1f+2 -0.000005 -0.000030 0.000003 -0.000000 -0.000000 -0.000015 27O 1f-2 0.000004 -0.000029 -0.000001 -0.000008 -0.000001 -0.000032 27O 1f+3 -0.000008 0.000036 0.000001 0.000003 -0.000017 0.000034 27O 1f-3 -0.000006 -0.000019 -0.000001 -0.000012 0.000014 -0.000002 28O 1s 0.000002 -0.000000 0.000002 0.000001 0.000001 0.000006 28O 2s -0.000009 0.000001 -0.000008 -0.000003 -0.000006 -0.000038 28O 3s 0.000058 -0.000008 0.000092 0.000014 0.000113 0.000441 28O 4s -0.000091 0.000016 -0.000364 0.000018 -0.001250 -0.001698 28O 5s -0.000544 0.000146 -0.000403 0.000374 0.005865 0.000880 28O 1pz -0.000005 0.000003 -0.000008 0.000007 -0.000022 -0.000002 28O 1px 0.000000 0.000002 -0.000009 0.000001 -0.000058 0.000048 28O 1py 0.000030 -0.000003 -0.000009 0.000005 -0.000037 0.000018 28O 2pz 0.000120 -0.000018 0.000124 -0.000077 -0.000151 0.000261 28O 2px -0.000068 -0.000001 -0.000069 0.000012 0.000299 -0.000547 28O 2py -0.000060 0.000022 0.000048 -0.000044 0.000021 -0.000053 28O 3pz -0.000126 -0.000039 0.000585 -0.000436 0.002397 0.001087 28O 3px -0.000409 0.000119 -0.000552 0.000378 0.001266 -0.000396 28O 3py 0.000177 -0.000094 0.000181 -0.000125 0.002069 0.000581 28O 1dz2 0.000001 -0.000005 0.000011 0.000006 -0.000034 -0.000020 28O 1dxz 0.000002 0.000002 -0.000019 0.000001 -0.000005 0.000020 28O 1dyz 0.000032 0.000005 -0.000003 -0.000001 -0.000086 -0.000015 28O 1dx2y2 -0.000004 -0.000003 -0.000001 -0.000009 0.000000 0.000006 28O 1dxy 0.000004 0.000000 -0.000016 -0.000008 -0.000028 0.000015 28O 2dz2 -0.000008 0.000012 -0.000058 -0.000017 0.000174 0.000081 28O 2dxz 0.000024 -0.000012 0.000105 -0.000028 0.000003 0.000105 28O 2dyz -0.000101 -0.000017 -0.000013 -0.000005 0.000381 0.000061 28O 2dx2y2 -0.000015 0.000015 -0.000010 0.000036 -0.000009 -0.000144 28O 2dxy -0.000004 0.000005 0.000065 0.000011 0.000105 -0.000036 28O 1f0 0.000004 0.000004 -0.000003 -0.000001 0.000017 -0.000002 28O 1f+1 0.000003 -0.000000 -0.000012 -0.000001 0.000006 -0.000009 28O 1f-1 -0.000018 0.000001 0.000003 0.000003 0.000041 0.000015 28O 1f+2 0.000024 0.000000 0.000004 0.000000 -0.000032 0.000011 28O 1f-2 -0.000008 -0.000002 0.000001 0.000003 0.000000 -0.000010 28O 1f+3 -0.000003 -0.000003 -0.000001 0.000001 -0.000005 0.000008 28O 1f-3 -0.000009 -0.000001 -0.000013 -0.000003 0.000008 0.000006 29O 1s 0.000000 0.000000 0.000002 -0.000009 0.000007 0.000005 29O 2s -0.000000 -0.000001 -0.000007 0.000029 -0.000041 -0.000029 29O 3s 0.000001 0.000006 0.000042 -0.000171 0.000362 0.000232 29O 4s 0.000001 -0.000023 -0.000096 0.000625 -0.001046 -0.001036 29O 5s -0.000032 0.000066 0.000177 -0.001668 0.001848 0.003107 29O 1pz -0.000002 0.000009 0.000006 -0.000010 0.000023 0.000012 29O 1px 0.000000 0.000002 -0.000015 0.000023 -0.000065 -0.000017 29O 1py 0.000002 -0.000004 0.000000 -0.000008 -0.000010 0.000037 29O 2pz 0.000007 -0.000055 -0.000014 0.000022 -0.000058 -0.000167 29O 2px -0.000003 -0.000013 0.000032 -0.000053 0.000179 0.000369 29O 2py -0.000005 0.000020 0.000001 0.000039 0.000085 -0.000263 29O 3pz -0.000069 0.000155 0.000023 -0.000200 0.000251 0.000303 29O 3px -0.000025 0.000066 -0.000052 0.000598 -0.000706 -0.001174 29O 3py 0.000053 -0.000116 0.000037 0.000158 -0.000005 -0.000779 29O 1dz2 0.000000 -0.000001 -0.000006 0.000013 -0.000014 0.000013 29O 1dxz -0.000001 0.000002 -0.000010 0.000014 -0.000021 0.000030 29O 1dyz -0.000002 0.000004 -0.000002 0.000003 -0.000005 0.000007 29O 1dx2y2 -0.000001 0.000002 0.000015 -0.000016 0.000033 -0.000065 29O 1dxy 0.000000 -0.000001 0.000006 -0.000012 0.000015 -0.000018 29O 2dz2 0.000000 0.000007 0.000018 -0.000025 0.000024 0.000042 29O 2dxz 0.000000 -0.000013 0.000027 -0.000020 0.000051 -0.000028 29O 2dyz 0.000008 -0.000000 0.000007 -0.000005 0.000013 -0.000004 29O 2dx2y2 0.000002 -0.000008 -0.000043 0.000012 -0.000096 0.000165 29O 2dxy 0.000001 0.000009 -0.000017 0.000033 -0.000031 -0.000016 29O 1f0 -0.000000 0.000001 0.000003 -0.000002 0.000012 -0.000026 29O 1f+1 0.000000 -0.000003 -0.000002 0.000004 -0.000006 0.000005 29O 1f-1 -0.000001 0.000001 -0.000000 0.000011 0.000005 -0.000042 29O 1f+2 -0.000002 0.000005 -0.000006 0.000011 -0.000017 0.000017 29O 1f-2 0.000002 -0.000001 -0.000002 0.000010 -0.000000 -0.000024 29O 1f+3 -0.000001 -0.000001 -0.000008 0.000013 -0.000024 0.000035 29O 1f-3 -0.000001 0.000002 -0.000002 0.000005 -0.000007 0.000008 30O 1s 0.000006 -0.000000 0.000003 0.000001 0.000001 0.000006 30O 2s -0.000021 0.000002 -0.000010 -0.000003 -0.000009 -0.000037 30O 3s 0.000137 -0.000018 0.000101 0.000018 0.000135 0.000426 30O 4s -0.000206 0.000025 -0.000395 -0.000004 -0.001328 -0.001618 30O 5s -0.001331 0.000349 -0.000205 0.000334 0.006550 0.001261 30O 1pz 0.000002 0.000003 -0.000002 0.000004 -0.000004 -0.000002 30O 1px 0.000025 0.000002 -0.000014 0.000004 -0.000071 0.000046 30O 1py -0.000028 -0.000001 0.000006 -0.000006 0.000018 -0.000011 30O 2pz 0.000168 -0.000014 0.000065 -0.000042 -0.000192 0.000166 30O 2px -0.000210 0.000012 -0.000031 -0.000017 0.000355 -0.000459 30O 2py -0.000128 -0.000007 -0.000089 0.000064 0.000189 -0.000112 30O 3pz 0.000057 -0.000118 0.000533 -0.000341 0.001576 0.000926 30O 3px -0.000785 0.000178 -0.000441 0.000305 0.001907 -0.000110 30O 3py -0.000092 0.000202 -0.000576 0.000400 -0.002711 -0.001177 30O 1dz2 -0.000026 -0.000004 0.000007 0.000006 0.000021 -0.000008 30O 1dxz 0.000011 0.000005 -0.000011 0.000004 -0.000009 0.000008 30O 1dyz -0.000057 -0.000000 -0.000005 0.000002 0.000084 0.000023 30O 1dx2y2 -0.000020 -0.000002 -0.000012 -0.000010 0.000021 0.000020 30O 1dxy -0.000030 -0.000008 0.000020 0.000001 0.000035 -0.000017 30O 2dz2 0.000093 0.000004 -0.000022 -0.000014 -0.000090 0.000057 30O 2dxz 0.000023 -0.000025 0.000056 -0.000026 0.000018 0.000094 30O 2dyz 0.000216 0.000000 0.000053 -0.000007 -0.000394 -0.000029 30O 2dx2y2 0.000037 0.000022 0.000052 0.000031 -0.000113 -0.000142 30O 2dxy 0.000030 0.000028 -0.000088 0.000019 -0.000122 -0.000062 30O 1f0 0.000024 0.000002 -0.000004 -0.000003 -0.000010 -0.000015 30O 1f+1 0.000003 -0.000000 -0.000011 -0.000002 0.000006 0.000004 30O 1f-1 0.000004 -0.000003 -0.000001 0.000001 -0.000012 -0.000008 30O 1f+2 0.000040 -0.000006 -0.000005 -0.000002 -0.000038 -0.000005 30O 1f-2 0.000035 0.000001 0.000003 -0.000001 -0.000021 0.000016 30O 1f+3 -0.000029 -0.000006 -0.000010 -0.000000 0.000013 0.000004 30O 1f-3 0.000023 -0.000006 0.000008 0.000002 -0.000030 -0.000000 31O 1s -0.000001 0.000006 -0.000001 -0.000003 0.000005 0.000004 31O 2s 0.000002 -0.000020 0.000004 0.000010 -0.000031 -0.000023 31O 3s -0.000023 0.000137 -0.000024 -0.000100 0.000347 0.000284 31O 4s 0.000032 -0.000204 0.000025 0.000395 -0.001020 -0.001838 31O 5s 0.000393 -0.001316 -0.000319 0.000223 -0.001202 0.006537 31O 1pz -0.000003 -0.000002 0.000004 -0.000002 0.000000 0.000004 31O 1px -0.000001 -0.000025 0.000003 -0.000014 -0.000069 0.000049 31O 1py -0.000000 0.000028 -0.000006 0.000007 0.000017 -0.000012 31O 2pz 0.000019 -0.000168 -0.000038 0.000067 -0.000224 0.000116 31O 2px -0.000019 0.000209 -0.000019 -0.000030 0.000556 -0.000158 31O 2py 0.000003 0.000127 0.000059 -0.000092 0.000173 -0.000133 31O 3pz 0.000121 -0.000052 -0.000312 0.000553 -0.000285 -0.001819 31O 3px -0.000204 0.000777 0.000280 -0.000457 0.000795 -0.001725 31O 3py -0.000206 0.000085 0.000368 -0.000598 0.000101 0.002972 31O 1dz2 -0.000003 -0.000026 -0.000007 -0.000006 -0.000015 0.000016 31O 1dxz 0.000005 0.000011 -0.000003 0.000011 0.000010 -0.000006 31O 1dyz 0.000002 -0.000057 -0.000002 0.000005 -0.000009 0.000086 31O 1dx2y2 -0.000001 -0.000020 0.000011 0.000011 0.000011 0.000027 31O 1dxy -0.000007 -0.000030 -0.000002 -0.000020 -0.000029 0.000027 31O 2dz2 0.000001 0.000093 0.000015 0.000021 0.000087 -0.000063 31O 2dxz -0.000026 0.000022 0.000023 -0.000057 0.000081 0.000054 31O 2dyz -0.000007 0.000216 0.000004 -0.000053 0.000116 -0.000375 31O 2dx2y2 0.000021 0.000038 -0.000034 -0.000050 -0.000091 -0.000158 31O 2dxy 0.000027 0.000031 -0.000014 0.000089 -0.000012 -0.000139 31O 1f0 -0.000002 -0.000024 -0.000004 -0.000004 0.000010 0.000015 31O 1f+1 0.000001 -0.000003 -0.000002 -0.000011 -0.000002 -0.000007 31O 1f-1 0.000003 -0.000004 0.000000 -0.000001 0.000003 0.000014 31O 1f+2 0.000007 -0.000040 -0.000002 -0.000005 -0.000009 0.000037 31O 1f-2 -0.000000 -0.000034 -0.000001 0.000003 -0.000023 0.000014 31O 1f+3 0.000005 0.000029 -0.000001 -0.000010 0.000001 -0.000013 31O 1f-3 0.000006 -0.000023 0.000003 0.000008 -0.000011 0.000027 32O 1s 0.000000 0.000000 0.000008 -0.000003 0.000002 0.000008 32O 2s -0.000001 -0.000000 -0.000029 0.000009 -0.000012 -0.000049 32O 3s 0.000006 0.000001 0.000168 -0.000051 0.000084 0.000421 32O 4s -0.000024 0.000001 -0.000620 0.000129 -0.000584 -0.001351 32O 5s 0.000063 -0.000026 0.001655 -0.000264 0.002218 0.002852 32O 1pz -0.000009 0.000002 -0.000009 0.000006 -0.000002 -0.000025 32O 1px -0.000001 -0.000000 0.000023 -0.000016 -0.000008 0.000067 32O 1py 0.000005 -0.000002 -0.000008 0.000001 -0.000038 -0.000004 32O 2pz 0.000055 -0.000004 0.000021 -0.000016 0.000128 0.000114 32O 2px 0.000013 0.000003 -0.000051 0.000035 -0.000280 -0.000301 32O 2py -0.000021 0.000005 0.000038 -0.000000 0.000276 0.000016 32O 3pz -0.000157 0.000064 -0.000198 0.000032 -0.000198 -0.000345 32O 3px -0.000066 0.000023 0.000594 -0.000084 0.000833 0.001085 32O 3py 0.000116 -0.000047 0.000159 0.000029 0.000724 0.000289 32O 1dz2 -0.000001 0.000000 -0.000013 0.000007 0.000017 -0.000008 32O 1dxz 0.000002 -0.000001 -0.000014 0.000011 0.000036 -0.000009 32O 1dyz 0.000004 -0.000002 -0.000003 0.000002 0.000007 -0.000002 32O 1dx2y2 0.000002 -0.000001 0.000015 -0.000016 -0.000073 0.000006 32O 1dxy -0.000001 0.000000 0.000012 -0.000007 -0.000023 0.000007 32O 2dz2 0.000006 0.000001 0.000024 -0.000019 0.000030 0.000037 32O 2dxz -0.000014 -0.000000 0.000019 -0.000028 -0.000044 0.000037 32O 2dyz -0.000001 0.000008 0.000006 -0.000007 -0.000002 0.000012 32O 2dx2y2 -0.000008 0.000001 -0.000009 0.000043 0.000189 -0.000029 32O 2dxy 0.000009 0.000001 -0.000031 0.000018 -0.000002 -0.000034 32O 1f0 -0.000001 0.000000 -0.000003 0.000003 0.000026 -0.000002 32O 1f+1 0.000003 -0.000000 0.000004 -0.000002 -0.000008 0.000004 32O 1f-1 -0.000001 0.000001 0.000011 -0.000001 0.000042 0.000011 32O 1f+2 -0.000005 0.000001 0.000010 -0.000006 -0.000024 0.000009 32O 1f-2 0.000000 -0.000002 0.000010 -0.000002 0.000022 0.000009 32O 1f+3 0.000001 0.000000 0.000012 -0.000009 -0.000040 0.000010 32O 1f-3 -0.000002 0.000001 0.000005 -0.000003 -0.000009 0.000003 33O 1s -0.000000 0.000002 -0.000001 -0.000002 0.000005 0.000003 33O 2s 0.000001 -0.000009 0.000003 0.000008 -0.000033 -0.000019 33O 3s -0.000010 0.000058 -0.000019 -0.000091 0.000369 0.000267 33O 4s 0.000019 -0.000091 0.000002 0.000364 -0.001123 -0.001787 33O 5s 0.000166 -0.000540 -0.000353 0.000423 -0.001328 0.005766 33O 1pz -0.000004 0.000005 0.000007 -0.000009 -0.000006 0.000021 33O 1px -0.000002 -0.000001 0.000000 -0.000009 -0.000066 0.000036 33O 1py 0.000004 -0.000029 0.000004 -0.000009 -0.000030 0.000028 33O 2pz 0.000022 -0.000119 -0.000070 0.000128 -0.000299 0.000044 33O 2px -0.000002 0.000069 0.000008 -0.000070 0.000619 -0.000077 33O 2py -0.000024 0.000059 -0.000042 0.000050 0.000056 0.000001 33O 3pz 0.000035 0.000127 -0.000403 0.000606 -0.000133 -0.002636 33O 3px -0.000133 0.000406 0.000348 -0.000571 0.000831 -0.001026 33O 3py 0.000101 -0.000174 -0.000115 0.000188 0.000218 -0.002146 33O 1dz2 -0.000005 0.000001 -0.000006 -0.000010 -0.000007 -0.000039 33O 1dxz 0.000002 0.000002 -0.000000 0.000019 0.000021 0.000002 33O 1dyz 0.000004 0.000033 0.000001 0.000003 0.000018 -0.000086 33O 1dx2y2 -0.000003 -0.000004 0.000009 0.000000 0.000005 0.000002 33O 1dxy 0.000000 0.000004 0.000009 0.000016 0.000025 -0.000021 33O 2dz2 0.000013 -0.000008 0.000020 0.000057 0.000013 0.000191 33O 2dxz -0.000013 0.000023 0.000022 -0.000107 0.000097 0.000043 33O 2dyz -0.000013 -0.000102 0.000006 0.000013 -0.000083 0.000377 33O 2dx2y2 0.000016 -0.000015 -0.000036 0.000012 -0.000131 -0.000061 33O 2dxy 0.000005 -0.000004 -0.000014 -0.000065 -0.000071 0.000085 33O 1f0 -0.000003 -0.000004 -0.000001 -0.000003 0.000008 -0.000015 33O 1f+1 0.000000 -0.000003 -0.000002 -0.000012 0.000011 -0.000002 33O 1f-1 -0.000002 0.000018 0.000003 0.000003 0.000001 -0.000044 33O 1f+2 0.000001 -0.000025 0.000000 0.000004 -0.000022 0.000026 33O 1f-2 0.000002 0.000008 0.000003 0.000001 0.000009 0.000004 33O 1f+3 0.000003 0.000003 0.000001 -0.000001 -0.000010 0.000002 33O 1f-3 0.000001 0.000009 -0.000003 -0.000013 -0.000003 -0.000010 34O 1s -0.000006 0.000000 0.000003 0.000001 0.000001 0.000006 34O 2s 0.000021 -0.000002 -0.000009 -0.000003 -0.000005 -0.000038 34O 3s -0.000140 0.000016 0.000098 0.000018 0.000090 0.000443 34O 4s 0.000226 -0.000013 -0.000381 -0.000001 -0.001147 -0.001723 34O 5s 0.001369 -0.000307 -0.000379 0.000336 0.006298 0.000947 34O 1pz 0.000013 0.000004 0.000011 -0.000004 0.000043 -0.000018 34O 1px -0.000010 -0.000000 -0.000004 -0.000002 -0.000046 0.000038 34O 1py -0.000033 -0.000001 -0.000012 0.000008 -0.000047 0.000017 34O 2pz 0.000007 -0.000005 -0.000040 0.000034 -0.000084 0.000107 34O 2px 0.000313 -0.000005 -0.000124 0.000035 0.000437 -0.000582 34O 2py -0.000044 -0.000012 0.000083 -0.000066 -0.000021 0.000006 34O 3pz -0.000401 0.000035 -0.000004 0.000045 -0.001770 -0.000290 34O 3px 0.000684 -0.000244 -0.000781 0.000540 -0.000000 -0.000921 34O 3py 0.000152 0.000094 0.000306 -0.000224 0.002703 0.000808 34O 1dz2 0.000021 -0.000001 -0.000005 0.000003 0.000032 0.000013 34O 1dxz -0.000004 0.000001 0.000010 0.000008 -0.000010 -0.000017 34O 1dyz 0.000059 0.000005 0.000011 0.000005 0.000081 0.000001 34O 1dx2y2 0.000024 0.000009 0.000013 -0.000005 0.000023 -0.000006 34O 1dxy 0.000027 -0.000002 -0.000018 -0.000006 0.000040 0.000030 34O 2dz2 -0.000113 0.000007 0.000044 -0.000017 -0.000157 0.000052 34O 2dxz -0.000000 0.000006 -0.000044 -0.000023 0.000066 0.000100 34O 2dyz -0.000180 -0.000014 -0.000027 -0.000001 -0.000347 -0.000026 34O 2dx2y2 0.000012 -0.000039 -0.000071 0.000036 -0.000073 -0.000157 34O 2dxy -0.000118 -0.000005 0.000098 0.000008 -0.000216 -0.000057 34O 1f0 0.000034 -0.000002 0.000010 0.000004 0.000019 -0.000003 34O 1f+1 -0.000007 0.000001 0.000006 0.000001 -0.000008 0.000013 34O 1f-1 0.000004 0.000001 0.000000 0.000001 0.000000 -0.000007 34O 1f+2 0.000030 0.000006 -0.000000 0.000003 0.000014 0.000006 34O 1f-2 0.000029 -0.000003 -0.000008 -0.000001 0.000030 0.000013 34O 1f+3 -0.000037 0.000007 0.000003 0.000001 -0.000038 0.000003 34O 1f-3 0.000019 0.000006 -0.000012 -0.000001 0.000007 -0.000012 35O 1s -0.000002 0.000000 0.000003 0.000001 0.000001 0.000006 35O 2s 0.000008 -0.000001 -0.000011 -0.000003 -0.000009 -0.000038 35O 3s -0.000055 0.000006 0.000107 0.000023 0.000119 0.000437 35O 4s 0.000081 -0.000002 -0.000411 -0.000023 -0.001256 -0.001682 35O 5s 0.000554 -0.000102 -0.000167 0.000269 0.006687 0.001244 35O 1pz -0.000000 0.000003 0.000012 -0.000008 0.000052 -0.000024 35O 1px -0.000014 0.000001 -0.000010 0.000002 -0.000060 0.000033 35O 1py 0.000026 -0.000004 0.000005 -0.000004 0.000010 -0.000001 35O 2pz 0.000051 -0.000010 -0.000064 0.000062 -0.000014 0.000077 35O 2px 0.000141 -0.000007 -0.000070 0.000002 0.000472 -0.000487 35O 2py -0.000020 0.000027 -0.000071 0.000036 0.000161 -0.000136 35O 3pz -0.000303 0.000029 -0.000292 0.000202 -0.003150 -0.000873 35O 3px 0.000169 -0.000047 -0.000741 0.000474 0.000276 -0.000835 35O 3py 0.000279 -0.000125 -0.000429 0.000303 -0.001736 -0.000819 35O 1dz2 -0.000006 0.000001 -0.000013 0.000001 -0.000041 0.000007 35O 1dxz 0.000006 0.000004 0.000018 0.000008 -0.000011 -0.000028 35O 1dyz -0.000028 -0.000004 -0.000003 -0.000002 -0.000085 -0.000011 35O 1dx2y2 0.000010 0.000005 0.000000 -0.000009 -0.000003 0.000002 35O 1dxy -0.000011 0.000001 0.000013 -0.000001 -0.000032 -0.000022 35O 2dz2 0.000005 -0.000002 0.000054 -0.000018 0.000154 0.000083 35O 2dxz -0.000012 -0.000008 -0.000086 -0.000014 0.000082 0.000089 35O 2dyz 0.000086 0.000012 -0.000011 -0.000005 0.000385 0.000053 35O 2dx2y2 -0.000006 -0.000022 -0.000013 0.000033 0.000020 -0.000135 35O 2dxy 0.000063 0.000002 -0.000078 0.000014 0.000179 -0.000032 35O 1f0 0.000012 0.000000 0.000007 0.000000 0.000001 0.000004 35O 1f+1 -0.000004 0.000002 0.000009 0.000003 -0.000029 0.000001 35O 1f-1 -0.000022 -0.000001 -0.000004 -0.000004 -0.000031 0.000001 35O 1f+2 0.000018 0.000003 -0.000011 -0.000000 0.000018 0.000006 35O 1f-2 -0.000005 0.000003 -0.000001 -0.000000 -0.000024 -0.000015 35O 1f+3 -0.000001 0.000003 -0.000006 -0.000001 -0.000012 0.000007 35O 1f-3 -0.000011 -0.000000 0.000007 0.000002 -0.000013 0.000016 12 13 14 15 16 17 -19.07419 -19.07413 -19.06754 -19.06750 -19.06541 -19.06535 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s 0.000002 -0.000004 -0.000001 -0.000003 -0.000003 -0.000000 0Rh 2s 0.000021 -0.000046 -0.000008 -0.000036 -0.000036 -0.000004 0Rh 3s 0.000025 -0.000055 -0.000009 -0.000044 -0.000043 -0.000003 0Rh 4s -0.000089 0.000183 0.000026 0.000143 0.000142 0.000009 0Rh 5s 0.000203 -0.000338 -0.000015 -0.000253 -0.000251 0.000015 0Rh 6s -0.000417 0.000509 0.000020 0.000357 0.000355 -0.000020 0Rh 7s 0.001202 -0.002956 -0.000187 -0.001310 -0.001175 -0.000141 0Rh 8s -0.002067 -0.000735 0.000061 -0.000246 -0.000330 0.000271 0Rh 1pz 0.000003 -0.000001 -0.000005 0.000001 0.000000 -0.000003 0Rh 1px -0.000008 0.000002 0.000001 -0.000001 -0.000001 -0.000000 0Rh 1py -0.000001 0.000001 -0.000003 0.000000 -0.000000 0.000004 0Rh 2pz -0.000015 0.000003 0.000025 -0.000003 -0.000000 0.000016 0Rh 2px 0.000041 -0.000011 -0.000005 0.000004 0.000004 0.000001 0Rh 2py 0.000002 -0.000004 0.000014 -0.000000 0.000001 -0.000022 0Rh 3pz 0.000083 -0.000016 -0.000143 0.000019 0.000002 -0.000094 0Rh 3px -0.000230 0.000066 0.000030 -0.000028 -0.000025 -0.000007 0Rh 3py -0.000012 0.000021 -0.000080 0.000002 -0.000008 0.000125 0Rh 4pz -0.000197 0.000037 0.000289 -0.000044 -0.000013 0.000190 0Rh 4px 0.000540 -0.000158 -0.000086 0.000074 0.000066 -0.000007 0Rh 4py 0.000020 -0.000053 0.000153 -0.000001 0.000016 -0.000245 0Rh 5pz 0.000330 -0.000031 -0.000204 0.000040 0.000051 -0.000140 0Rh 5px -0.000899 0.000163 0.000197 -0.000113 -0.000092 0.000112 0Rh 5py -0.000024 0.000072 -0.000065 -0.000016 -0.000003 0.000142 0Rh 6pz -0.002718 -0.000993 0.003385 -0.000323 0.000189 0.002206 0Rh 6px 0.007453 0.003151 -0.001375 0.000584 0.000432 -0.000427 0Rh 6py 0.000449 0.000505 0.001667 0.000080 0.000204 -0.002765 0Rh 1dz2 0.000002 0.000000 -0.000001 -0.000002 -0.000002 0.000000 0Rh 1dxz 0.000002 0.000001 -0.000001 0.000001 -0.000001 -0.000001 0Rh 1dyz 0.000001 -0.000000 -0.000002 -0.000005 -0.000005 0.000001 0Rh 1dx2y2 -0.000004 -0.000001 0.000001 -0.000000 -0.000001 0.000001 0Rh 1dxy -0.000004 0.000000 -0.000001 -0.000001 -0.000002 0.000002 0Rh 2dz2 -0.000010 -0.000002 0.000001 0.000012 0.000008 0.000000 0Rh 2dxz -0.000011 -0.000004 0.000006 -0.000003 0.000004 0.000005 0Rh 2dyz -0.000006 -0.000000 0.000006 0.000022 0.000023 -0.000002 0Rh 2dx2y2 0.000019 0.000006 -0.000002 0.000001 0.000003 -0.000003 0Rh 2dxy 0.000017 -0.000000 0.000002 0.000006 0.000012 -0.000007 0Rh 3dz2 0.000029 0.000006 0.000008 -0.000033 -0.000023 -0.000005 0Rh 3dxz 0.000034 0.000009 -0.000012 0.000006 -0.000011 -0.000010 0Rh 3dyz 0.000017 0.000000 0.000001 -0.000063 -0.000065 -0.000012 0Rh 3dx2y2 -0.000056 -0.000016 -0.000000 -0.000002 -0.000007 0.000000 0Rh 3dxy -0.000048 0.000002 -0.000001 -0.000017 -0.000032 0.000008 0Rh 4dz2 -0.000063 -0.000011 -0.000070 0.000072 0.000063 0.000031 0Rh 4dxz -0.000071 -0.000019 -0.000008 0.000002 0.000017 -0.000013 0Rh 4dyz -0.000036 0.000000 -0.000099 0.000146 0.000153 0.000108 0Rh 4dx2y2 0.000117 0.000032 0.000029 -0.000000 0.000010 0.000048 0Rh 4dxy 0.000104 -0.000005 -0.000023 0.000046 0.000064 0.000040 0Rh 5dz2 0.000099 0.000079 0.000040 -0.000226 -0.000341 -0.000044 0Rh 5dxz 0.000088 0.000112 0.000047 -0.000183 0.000005 0.000020 0Rh 5dyz 0.000060 0.000017 0.000056 -0.000511 -0.000551 -0.000060 0Rh 5dx2y2 -0.000152 -0.000177 -0.000044 0.000085 0.000073 -0.000003 0Rh 5dxy -0.000196 -0.000033 0.000042 -0.000210 -0.000091 -0.000064 0Rh 1f0 0.000029 0.000005 0.000002 -0.000003 0.000006 0.000008 0Rh 1f+1 -0.000023 -0.000004 -0.000008 -0.000011 0.000007 0.000001 0Rh 1f-1 -0.000008 -0.000001 -0.000012 -0.000008 0.000015 -0.000001 0Rh 1f+2 -0.000043 -0.000008 0.000008 0.000013 -0.000010 0.000004 0Rh 1f-2 -0.000013 -0.000003 -0.000011 -0.000009 -0.000001 0.000012 0Rh 1f+3 -0.000048 -0.000009 -0.000004 0.000001 0.000003 -0.000011 0Rh 1f-3 -0.000021 -0.000004 -0.000000 -0.000002 0.000009 -0.000003 1Rh 1s 0.000004 -0.000002 -0.000003 -0.000001 -0.000000 -0.000003 1Rh 2s 0.000045 -0.000024 -0.000036 -0.000009 -0.000005 -0.000035 1Rh 3s 0.000054 -0.000029 -0.000043 -0.000010 -0.000006 -0.000042 1Rh 4s -0.000178 0.000101 0.000143 0.000031 0.000016 0.000140 1Rh 5s 0.000325 -0.000224 -0.000253 -0.000023 0.000000 -0.000249 1Rh 6s -0.000482 0.000448 0.000357 0.000031 0.000003 0.000351 1Rh 7s 0.002875 -0.001386 -0.001304 -0.000230 -0.000216 -0.001174 1Rh 8s 0.000863 0.002020 -0.000247 0.000065 0.000138 -0.000332 1Rh 1pz -0.000000 0.000003 -0.000001 0.000005 -0.000004 -0.000001 1Rh 1px 0.000002 -0.000008 0.000001 -0.000001 -0.000002 0.000001 1Rh 1py 0.000001 -0.000001 -0.000000 0.000003 -0.000003 0.000001 1Rh 2pz 0.000002 -0.000015 0.000004 -0.000025 0.000020 0.000003 1Rh 2px -0.000009 0.000042 -0.000005 0.000005 0.000010 -0.000004 1Rh 2py -0.000003 0.000003 0.000001 -0.000014 0.000016 -0.000003 1Rh 3pz -0.000011 0.000084 -0.000023 0.000142 -0.000116 -0.000018 1Rh 3px 0.000052 -0.000233 0.000029 -0.000029 -0.000060 0.000022 1Rh 3py 0.000021 -0.000013 -0.000005 0.000080 -0.000091 0.000017 1Rh 4pz 0.000025 -0.000199 0.000052 -0.000288 0.000218 0.000039 1Rh 4px -0.000124 0.000549 -0.000076 0.000084 0.000136 -0.000063 1Rh 4py -0.000052 0.000024 0.000006 -0.000154 0.000179 -0.000036 1Rh 5pz -0.000010 0.000331 -0.000046 0.000204 -0.000085 -0.000032 1Rh 5px 0.000107 -0.000908 0.000118 -0.000193 -0.000172 0.000107 1Rh 5py 0.000070 -0.000030 0.000014 0.000067 -0.000112 0.000017 1Rh 6pz -0.001157 -0.002653 0.000423 -0.003378 0.002156 0.000276 1Rh 6px 0.003610 0.007241 -0.000622 0.001358 0.001911 -0.000381 1Rh 6py 0.000536 0.000430 -0.000031 -0.001673 0.001982 -0.000393 1Rh 1dz2 -0.000001 -0.000002 -0.000002 -0.000001 -0.000002 0.000002 1Rh 1dxz -0.000001 -0.000002 0.000001 -0.000001 -0.000001 0.000000 1Rh 1dyz -0.000000 -0.000001 -0.000005 -0.000003 -0.000002 0.000005 1Rh 1dx2y2 0.000001 0.000004 -0.000000 0.000001 0.000001 0.000001 1Rh 1dxy 0.000000 0.000004 -0.000001 -0.000001 -0.000000 0.000001 1Rh 2dz2 0.000003 0.000010 0.000012 0.000001 0.000006 -0.000008 1Rh 2dxz 0.000004 0.000011 -0.000003 0.000006 0.000001 -0.000001 1Rh 2dyz 0.000000 0.000006 0.000022 0.000007 0.000005 -0.000024 1Rh 2dx2y2 -0.000007 -0.000019 0.000001 -0.000001 -0.000006 -0.000007 1Rh 2dxy -0.000001 -0.000017 0.000006 0.000002 -0.000001 -0.000005 1Rh 3dz2 -0.000007 -0.000028 -0.000033 0.000007 -0.000007 0.000022 1Rh 3dxz -0.000012 -0.000033 0.000006 -0.000012 0.000001 0.000002 1Rh 3dyz -0.000001 -0.000017 -0.000063 -0.000001 0.000005 0.000067 1Rh 3dx2y2 0.000020 0.000054 -0.000002 -0.000001 0.000011 0.000020 1Rh 3dxy 0.000001 0.000048 -0.000017 -0.000001 0.000007 0.000015 1Rh 4dz2 0.000015 0.000061 0.000074 -0.000069 -0.000047 -0.000054 1Rh 4dxz 0.000023 0.000071 0.000002 -0.000008 -0.000015 0.000008 1Rh 4dyz 0.000002 0.000037 0.000149 -0.000095 -0.000106 -0.000154 1Rh 4dx2y2 -0.000040 -0.000115 -0.000001 0.000030 0.000002 -0.000047 1Rh 4dxy -0.000002 -0.000104 0.000046 -0.000022 -0.000029 -0.000052 1Rh 5dz2 -0.000084 -0.000093 -0.000227 0.000035 0.000042 0.000175 1Rh 5dxz -0.000117 -0.000082 -0.000184 0.000043 -0.000051 -0.000158 1Rh 5dyz -0.000019 -0.000060 -0.000512 0.000042 0.000062 0.000450 1Rh 5dx2y2 0.000187 0.000139 0.000086 -0.000044 0.000023 0.000172 1Rh 5dxy 0.000045 0.000194 -0.000211 0.000036 -0.000020 0.000326 1Rh 1f0 0.000007 0.000029 0.000003 -0.000002 -0.000007 -0.000001 1Rh 1f+1 -0.000006 -0.000023 0.000010 0.000008 0.000003 0.000002 1Rh 1f-1 -0.000001 -0.000008 0.000008 0.000012 -0.000015 0.000001 1Rh 1f+2 -0.000011 -0.000042 -0.000013 -0.000009 0.000008 -0.000007 1Rh 1f-2 -0.000004 -0.000013 0.000009 0.000011 0.000003 -0.000015 1Rh 1f+3 -0.000012 -0.000047 -0.000001 0.000004 0.000002 0.000010 1Rh 1f-3 -0.000006 -0.000021 0.000002 0.000000 -0.000002 -0.000005 2C 1s 0.000000 0.000000 0.000013 0.000001 0.000012 -0.000000 2C 2s -0.000003 -0.000000 -0.000064 -0.000004 -0.000057 0.000002 2C 3s 0.000178 -0.000125 0.000303 0.000063 0.000238 -0.000027 2C 4s -0.000931 0.000764 0.000926 -0.000256 0.001274 0.000238 2C 5s 0.001816 -0.002179 -0.005761 -0.003347 -0.007572 0.000432 2C 1pz 0.000010 -0.000010 0.000116 0.000019 0.000122 -0.000000 2C 1px 0.000017 0.000003 0.000072 0.000001 0.000067 0.000001 2C 1py 0.000006 -0.000001 0.000072 0.000011 0.000077 -0.000006 2C 2pz -0.000413 0.000398 0.000699 -0.000128 0.000888 0.000059 2C 2px -0.000126 0.000183 -0.000119 -0.000013 -0.000607 -0.000009 2C 2py -0.000232 0.000265 0.000596 -0.000096 0.000484 0.000167 2C 3pz 0.000321 -0.000521 -0.001499 -0.000726 -0.001156 0.000130 2C 3px 0.000232 -0.000206 0.000311 -0.000182 -0.001406 0.000025 2C 3py 0.000239 -0.000315 -0.000621 -0.000504 -0.001039 -0.000120 2C 1dz2 -0.000011 0.000007 0.000041 0.000001 -0.000000 -0.000005 2C 1dxz 0.000000 0.000014 -0.000018 -0.000003 0.000026 0.000003 2C 1dyz -0.000015 0.000013 0.000053 -0.000003 0.000060 0.000007 2C 1dx2y2 0.000006 -0.000008 0.000005 0.000000 0.000034 -0.000011 2C 1dxy 0.000002 0.000007 0.000018 -0.000002 0.000053 -0.000003 2C 2dz2 -0.000105 0.000091 0.000128 -0.000006 0.000421 0.000003 2C 2dxz 0.000016 -0.000021 0.000647 -0.000032 0.000222 0.000016 2C 2dyz -0.000149 0.000186 0.000058 0.000013 0.000090 0.000028 2C 2dx2y2 0.000023 0.000015 -0.000487 0.000025 -0.000587 -0.000009 2C 2dxy -0.000030 0.000027 0.000025 0.000003 -0.000264 -0.000010 2C 1f0 -0.000017 0.000001 0.000032 0.000000 0.000008 -0.000004 2C 1f+1 -0.000001 0.000017 0.000075 -0.000006 0.000105 -0.000004 2C 1f-1 -0.000029 0.000018 0.000020 0.000005 0.000015 -0.000001 2C 1f+2 0.000023 -0.000014 -0.000040 0.000001 -0.000034 -0.000009 2C 1f-2 0.000001 0.000015 0.000004 -0.000007 0.000040 -0.000004 2C 1f+3 0.000009 0.000006 0.000001 0.000002 0.000024 0.000004 2C 1f-3 -0.000005 0.000008 0.000045 -0.000002 0.000052 0.000009 3C 1s -0.000001 -0.000000 -0.000000 -0.000001 -0.000001 0.000013 3C 2s 0.000002 0.000001 0.000002 0.000005 0.000004 -0.000063 3C 3s 0.000115 -0.000159 -0.000031 -0.000095 -0.000067 0.000302 3C 4s -0.000730 0.000842 0.000248 0.000551 0.000382 0.000923 3C 5s 0.001864 -0.001905 0.000613 -0.000131 0.000327 -0.005765 3C 1pz -0.000002 -0.000004 0.000006 -0.000009 0.000006 0.000037 3C 1px 0.000013 0.000001 -0.000004 -0.000001 0.000004 0.000073 3C 1py -0.000007 0.000016 0.000007 -0.000001 0.000008 -0.000132 3C 2pz -0.000204 0.000163 -0.000062 0.000214 -0.000056 0.000673 3C 2px -0.000121 0.000214 0.000064 0.000074 -0.000031 0.000220 3C 2py 0.000423 -0.000422 -0.000150 -0.000084 -0.000157 -0.000559 3C 3pz 0.000255 -0.000207 0.000222 -0.000194 0.000195 -0.000780 3C 3px 0.000153 -0.000119 -0.000035 -0.000006 0.000106 0.000226 3C 3py -0.000466 0.000466 0.000011 -0.000111 0.000055 0.001447 3C 1dz2 -0.000004 -0.000002 -0.000007 0.000014 -0.000009 -0.000032 3C 1dxz -0.000004 0.000011 -0.000000 0.000002 0.000004 -0.000001 3C 1dyz 0.000014 -0.000009 -0.000001 -0.000005 -0.000001 -0.000065 3C 1dx2y2 0.000017 -0.000010 -0.000006 -0.000005 -0.000006 -0.000020 3C 1dxy 0.000001 -0.000013 -0.000003 -0.000006 0.000003 0.000002 3C 2dz2 0.000049 -0.000048 -0.000027 0.000009 -0.000022 0.000116 3C 2dxz -0.000053 0.000009 -0.000005 0.000011 -0.000008 0.000455 3C 2dyz 0.000139 -0.000174 -0.000005 -0.000025 0.000005 0.000191 3C 2dx2y2 0.000065 -0.000033 -0.000007 -0.000030 -0.000008 -0.000390 3C 2dxy 0.000065 -0.000077 -0.000001 -0.000021 0.000007 -0.000473 3C 1f0 0.000008 -0.000011 0.000004 -0.000001 0.000003 0.000016 3C 1f+1 -0.000001 0.000004 -0.000002 0.000007 -0.000001 0.000027 3C 1f-1 0.000007 0.000001 0.000008 -0.000006 0.000014 0.000007 3C 1f+2 0.000026 -0.000012 0.000002 -0.000004 0.000001 -0.000005 3C 1f-2 0.000009 -0.000024 0.000005 -0.000012 -0.000003 -0.000036 3C 1f+3 -0.000009 0.000023 0.000006 0.000005 0.000009 0.000062 3C 1f-3 0.000016 0.000001 -0.000015 0.000003 -0.000008 -0.000074 4C 1s -0.000001 0.000001 0.000034 -0.000000 0.000033 0.000001 4C 2s 0.000007 -0.000005 -0.000191 0.000000 -0.000190 -0.000003 4C 3s -0.000283 0.000155 -0.000053 0.000082 -0.000096 -0.000138 4C 4s 0.001027 -0.000365 0.003572 -0.000409 0.003736 0.000700 4C 5s -0.000944 0.000904 -0.000425 -0.000341 0.000489 0.001910 4C 1pz 0.000002 -0.000038 -0.000003 -0.000006 0.000168 -0.000009 4C 1px 0.000038 0.000035 0.000274 0.000010 -0.000255 -0.000039 4C 1py 0.000017 -0.000005 0.000107 -0.000001 0.000009 -0.000022 4C 2pz -0.000089 0.000637 0.000907 -0.000114 0.004487 0.000109 4C 2px -0.000591 -0.000516 0.005937 0.000079 -0.004908 0.000834 4C 2py -0.000275 0.000162 0.002755 -0.000038 0.000842 0.000344 4C 3pz 0.001004 -0.001455 -0.004622 -0.003197 -0.006796 0.001068 4C 3px -0.000230 -0.000252 -0.003451 -0.000005 0.001780 0.000422 4C 3py 0.000494 -0.001044 -0.004173 -0.001937 -0.003536 0.001198 4C 1dz2 0.000002 0.000032 -0.000174 -0.000008 0.000075 0.000016 4C 1dxz -0.000044 -0.000018 0.000086 0.000007 -0.000343 0.000025 4C 1dyz -0.000012 0.000029 0.000101 0.000012 0.000114 -0.000019 4C 1dx2y2 0.000023 -0.000013 0.000248 0.000013 0.000219 0.000028 4C 1dxy -0.000014 -0.000025 0.000303 0.000018 -0.000020 0.000027 4C 2dz2 0.000109 -0.000159 -0.002215 0.000103 0.000342 -0.000339 4C 2dxz 0.000059 -0.000117 0.000969 0.000110 -0.003484 -0.000007 4C 2dyz 0.000269 -0.000309 -0.000513 -0.000026 -0.000364 0.000103 4C 2dx2y2 -0.000004 0.000072 0.001829 -0.000220 0.001571 0.000147 4C 2dxy 0.000109 -0.000058 0.002156 -0.000119 -0.001173 0.000215 4C 1f0 -0.000006 0.000014 -0.000039 0.000007 0.000010 -0.000014 4C 1f+1 -0.000042 0.000011 -0.000000 0.000027 -0.000122 -0.000026 4C 1f-1 -0.000024 0.000025 -0.000043 -0.000009 0.000175 -0.000018 4C 1f+2 0.000029 -0.000017 -0.000103 -0.000012 0.000150 -0.000004 4C 1f-2 -0.000024 0.000000 0.000200 -0.000002 -0.000168 0.000002 4C 1f+3 -0.000010 0.000003 -0.000088 -0.000001 0.000119 0.000002 4C 1f-3 -0.000029 0.000015 -0.000225 0.000024 0.000104 -0.000062 5C 1s -0.000001 0.000001 0.000001 0.000001 0.000001 0.000033 5C 2s 0.000005 -0.000006 -0.000004 -0.000004 -0.000003 -0.000189 5C 3s -0.000171 0.000301 -0.000172 -0.000133 -0.000162 -0.000070 5C 4s 0.000501 -0.001122 0.000938 0.000715 0.000842 0.003657 5C 5s -0.000562 0.000836 0.002038 0.002328 0.002130 -0.000448 5C 1pz 0.000002 -0.000018 0.000002 -0.000029 -0.000020 -0.000028 5C 1px 0.000049 0.000027 -0.000046 0.000027 0.000023 0.000295 5C 1py -0.000013 0.000022 0.000014 0.000034 0.000030 -0.000032 5C 2pz -0.000045 0.000265 -0.000038 0.000496 0.000449 -0.000185 5C 2px -0.000730 -0.000332 0.001004 -0.000656 -0.000567 0.006357 5C 2py 0.000269 -0.000324 -0.000180 -0.000603 -0.000456 -0.001623 5C 3pz 0.000803 -0.000651 0.000563 0.001142 0.000725 -0.002481 5C 3px 0.000465 -0.000672 0.000833 0.000258 0.000264 -0.004590 5C 3py -0.001427 0.001086 -0.001585 -0.001192 -0.001670 0.004791 5C 1dz2 0.000010 0.000019 0.000020 -0.000021 0.000028 -0.000241 5C 1dxz -0.000024 0.000004 0.000012 -0.000037 0.000006 -0.000022 5C 1dyz 0.000005 -0.000019 -0.000010 0.000003 -0.000027 -0.000057 5C 1dx2y2 0.000003 -0.000043 0.000042 -0.000025 0.000020 0.000311 5C 1dxy 0.000047 0.000006 -0.000023 0.000016 0.000028 -0.000191 5C 2dz2 -0.000060 0.000096 -0.000382 0.000057 -0.000200 -0.001485 5C 2dxz 0.000072 0.000018 -0.000082 -0.000182 -0.000345 -0.000053 5C 2dyz -0.000255 0.000294 0.000091 -0.000230 -0.000098 0.000981 5C 2dx2y2 -0.000157 0.000089 0.000271 0.000216 0.000002 0.003036 5C 2dxy -0.000169 0.000087 -0.000142 0.000319 0.000221 -0.001346 5C 1f0 0.000006 0.000004 0.000011 -0.000040 -0.000028 0.000050 5C 1f+1 -0.000010 0.000018 -0.000035 -0.000021 0.000006 -0.000182 5C 1f-1 -0.000002 -0.000007 0.000024 -0.000023 0.000007 0.000092 5C 1f+2 0.000008 -0.000030 -0.000022 0.000020 -0.000006 -0.000047 5C 1f-2 0.000027 -0.000034 0.000003 0.000048 0.000054 -0.000212 5C 1f+3 -0.000025 0.000026 -0.000043 -0.000011 -0.000020 -0.000066 5C 1f-3 0.000011 -0.000051 0.000051 0.000020 0.000044 0.000120 6C 1s -0.000001 0.000001 0.000001 0.000001 0.000000 -0.000002 6C 2s 0.000006 -0.000005 -0.000004 -0.000004 -0.000000 0.000011 6C 3s -0.000285 0.000189 -0.000129 -0.000176 -0.000144 0.000088 6C 4s 0.001063 -0.000571 0.000696 0.000963 0.000693 -0.000635 6C 5s -0.000806 0.000603 0.002273 0.002099 0.002058 -0.000435 6C 1pz -0.000018 0.000003 0.000029 -0.000001 0.000006 0.000001 6C 1px 0.000031 0.000048 -0.000028 0.000045 0.000047 0.000012 6C 1py 0.000022 -0.000014 -0.000034 -0.000015 -0.000017 -0.000004 6C 2pz 0.000268 -0.000061 -0.000499 0.000024 0.000021 0.000114 6C 2px -0.000387 -0.000704 0.000688 -0.000986 -0.000772 0.000214 6C 2py -0.000314 0.000289 0.000600 0.000198 0.000238 -0.000230 6C 3pz -0.000580 0.000844 -0.001127 -0.000598 -0.000994 0.001771 6C 3px -0.000639 0.000509 -0.000232 -0.000839 -0.000918 0.000209 6C 3py 0.000966 -0.001495 0.001148 0.001621 0.001196 -0.002693 6C 1dz2 -0.000019 -0.000008 -0.000021 0.000020 -0.000042 0.000000 6C 1dxz -0.000002 0.000025 -0.000037 0.000011 -0.000003 0.000003 6C 1dyz 0.000019 -0.000006 0.000004 -0.000010 0.000023 -0.000003 6C 1dx2y2 0.000043 -0.000006 -0.000026 0.000041 -0.000004 -0.000001 6C 1dxy -0.000010 -0.000046 0.000016 -0.000022 -0.000010 -0.000006 6C 2dz2 -0.000090 0.000067 0.000068 -0.000381 -0.000020 0.000203 6C 2dxz -0.000018 -0.000072 -0.000181 -0.000087 -0.000013 0.000143 6C 2dyz -0.000274 0.000273 -0.000234 0.000084 -0.000081 0.000017 6C 2dx2y2 -0.000082 0.000162 0.000209 0.000277 0.000377 -0.000379 6C 2dxy -0.000081 0.000175 0.000325 -0.000133 -0.000101 0.000025 6C 1f0 0.000003 0.000006 0.000041 -0.000010 0.000007 -0.000014 6C 1f+1 0.000017 -0.000011 0.000020 0.000036 0.000050 -0.000028 6C 1f-1 -0.000007 -0.000002 0.000023 -0.000024 0.000003 0.000003 6C 1f+2 -0.000030 0.000010 -0.000020 0.000021 -0.000012 -0.000013 6C 1f-2 -0.000032 0.000029 -0.000048 -0.000004 0.000004 0.000003 6C 1f+3 0.000024 -0.000027 0.000010 0.000043 0.000040 -0.000022 6C 1f-3 -0.000049 0.000014 -0.000019 -0.000052 -0.000024 0.000025 7C 1s -0.000001 0.000001 -0.000001 0.000034 -0.000001 0.000000 7C 2s 0.000005 -0.000008 0.000006 -0.000191 0.000003 0.000001 7C 3s -0.000136 0.000287 0.000082 -0.000052 0.000091 -0.000140 7C 4s 0.000298 -0.001019 -0.000510 0.003565 -0.000457 0.000679 7C 5s -0.000840 0.001009 -0.000321 -0.000448 -0.000661 0.002042 7C 1pz -0.000038 0.000005 0.000006 0.000004 0.000004 0.000038 7C 1px 0.000038 0.000036 -0.000002 -0.000274 0.000000 -0.000036 7C 1py -0.000004 0.000017 0.000004 -0.000106 0.000003 0.000007 7C 2pz 0.000629 -0.000131 0.000140 -0.000901 0.000159 -0.000480 7C 2px -0.000553 -0.000574 0.000096 -0.005935 0.000069 0.000591 7C 2py 0.000147 -0.000295 0.000120 -0.002759 0.000119 -0.000106 7C 3pz -0.001402 0.001077 0.003056 0.004701 0.002453 -0.001673 7C 3px -0.000261 -0.000224 -0.000096 0.003444 0.001136 -0.000110 7C 3py -0.001023 0.000549 0.001820 0.004226 0.001916 -0.000685 7C 1dz2 -0.000032 0.000000 -0.000003 -0.000174 0.000007 -0.000022 7C 1dxz 0.000021 0.000043 0.000004 0.000086 -0.000014 -0.000034 7C 1dyz -0.000028 0.000014 0.000008 0.000102 0.000011 0.000012 7C 1dx2y2 0.000011 -0.000023 0.000006 0.000247 0.000004 -0.000022 7C 1dxy 0.000025 0.000013 0.000010 0.000304 -0.000003 -0.000005 7C 2dz2 0.000151 -0.000123 0.000168 -0.002206 0.000071 0.000157 7C 2dxz 0.000113 -0.000066 0.000081 0.000969 0.000227 -0.000206 7C 2dyz 0.000292 -0.000289 -0.000010 -0.000517 -0.000014 -0.000030 7C 2dx2y2 -0.000072 0.000015 -0.000273 0.001823 -0.000240 0.000301 7C 2dxy 0.000052 -0.000106 -0.000182 0.002155 -0.000057 -0.000050 7C 1f0 0.000013 -0.000006 -0.000009 0.000039 -0.000014 0.000015 7C 1f+1 0.000008 -0.000042 -0.000027 0.000001 -0.000023 0.000044 7C 1f-1 0.000023 -0.000025 0.000008 0.000044 0.000013 -0.000008 7C 1f+2 -0.000015 0.000030 0.000009 0.000104 0.000021 -0.000054 7C 1f-2 -0.000001 -0.000024 0.000007 -0.000200 0.000004 -0.000003 7C 1f+3 0.000003 -0.000010 -0.000002 0.000087 0.000011 -0.000009 7C 1f-3 0.000013 -0.000029 -0.000030 0.000224 -0.000020 -0.000003 8C 1s 0.000000 0.000000 -0.000001 -0.000000 -0.000001 0.000000 8C 2s -0.000001 -0.000002 0.000005 0.000002 0.000004 -0.000001 8C 3s 0.000151 -0.000124 -0.000094 -0.000033 -0.000050 0.000046 8C 4s -0.000794 0.000778 0.000545 0.000262 0.000308 -0.000319 8C 5s 0.001751 -0.001975 -0.000151 0.000616 0.000382 -0.002748 8C 1pz -0.000005 -0.000002 0.000009 -0.000006 0.000007 -0.000009 8C 1px 0.000001 0.000013 0.000001 0.000004 0.000003 0.000001 8C 1py 0.000015 -0.000008 0.000002 -0.000007 -0.000002 0.000010 8C 2pz 0.000152 -0.000214 -0.000216 0.000055 -0.000166 0.000136 8C 2px 0.000208 -0.000135 -0.000071 -0.000065 -0.000065 0.000054 8C 2py -0.000395 0.000448 0.000079 0.000153 0.000061 -0.000158 8C 3pz -0.000187 0.000268 0.000201 -0.000215 0.000097 0.000350 8C 3px -0.000107 0.000161 0.000004 0.000034 0.000060 0.000324 8C 3py 0.000429 -0.000493 0.000111 -0.000007 0.000150 -0.000586 8C 1dz2 0.000003 0.000003 0.000014 -0.000007 0.000010 0.000002 8C 1dxz -0.000011 0.000005 0.000002 -0.000000 0.000009 -0.000002 8C 1dyz 0.000008 -0.000015 -0.000005 -0.000001 -0.000003 0.000005 8C 1dx2y2 0.000009 -0.000017 -0.000005 -0.000006 -0.000001 0.000001 8C 1dxy 0.000013 -0.000001 -0.000006 -0.000003 -0.000005 0.000004 8C 2dz2 0.000045 -0.000052 0.000010 -0.000027 0.000014 -0.000010 8C 2dxz -0.000006 0.000053 0.000011 -0.000004 0.000001 -0.000052 8C 2dyz 0.000165 -0.000149 -0.000025 -0.000005 -0.000024 -0.000030 8C 2dx2y2 0.000029 -0.000068 -0.000030 -0.000008 -0.000016 0.000044 8C 2dxy 0.000073 -0.000070 -0.000021 -0.000002 -0.000018 0.000043 8C 1f0 -0.000010 0.000009 0.000001 -0.000004 0.000002 0.000005 8C 1f+1 0.000004 -0.000001 -0.000007 0.000002 -0.000008 0.000005 8C 1f-1 0.000002 0.000007 0.000006 -0.000007 0.000011 0.000007 8C 1f+2 -0.000010 0.000027 0.000004 -0.000002 0.000001 0.000002 8C 1f-2 -0.000024 0.000010 0.000012 -0.000004 0.000005 -0.000006 8C 1f+3 0.000022 -0.000010 -0.000005 -0.000006 0.000003 0.000009 8C 1f-3 0.000001 0.000016 -0.000004 0.000015 0.000000 -0.000001 9C 1s -0.000000 -0.000000 0.000001 0.000013 0.000001 -0.000001 9C 2s 0.000001 0.000003 -0.000003 -0.000064 -0.000006 0.000006 9C 3s 0.000113 -0.000186 0.000054 0.000305 0.000058 -0.000082 9C 4s -0.000702 0.000981 -0.000284 0.000916 -0.000268 0.000406 9C 5s 0.002071 -0.001936 -0.003182 -0.005828 -0.002571 0.000273 9C 1pz -0.000010 0.000010 -0.000016 -0.000116 -0.000015 0.000011 9C 1px 0.000004 0.000017 0.000001 -0.000072 -0.000005 0.000001 9C 1py -0.000001 0.000007 -0.000009 -0.000074 -0.000011 -0.000005 9C 2pz 0.000369 -0.000437 0.000150 -0.000705 0.000184 -0.000157 9C 2px 0.000175 -0.000138 0.000009 0.000128 0.000014 -0.000036 9C 2py 0.000253 -0.000254 0.000113 -0.000582 0.000127 0.000068 9C 3pz -0.000499 0.000348 0.000681 0.001507 0.000634 0.000059 9C 3px -0.000195 0.000246 0.000189 -0.000308 0.000002 -0.000005 9C 3py -0.000304 0.000259 0.000488 0.000648 0.000387 -0.000227 9C 1dz2 -0.000006 0.000012 -0.000000 0.000040 -0.000003 0.000012 9C 1dxz -0.000014 0.000000 -0.000002 -0.000018 0.000001 -0.000000 9C 1dyz -0.000012 0.000016 -0.000005 0.000054 -0.000005 -0.000004 9C 1dx2y2 0.000007 -0.000006 0.000000 0.000005 0.000002 -0.000003 9C 1dxy -0.000007 -0.000002 -0.000003 0.000017 0.000001 0.000005 9C 2dz2 -0.000084 0.000111 -0.000009 0.000126 -0.000036 0.000014 9C 2dxz 0.000022 -0.000016 -0.000051 0.000647 -0.000019 -0.000008 9C 2dyz -0.000177 0.000162 0.000011 0.000057 -0.000032 -0.000004 9C 2dx2y2 -0.000016 -0.000023 0.000039 -0.000490 0.000026 0.000017 9C 2dxy -0.000026 0.000030 0.000002 0.000027 0.000011 0.000011 9C 1f0 0.000000 -0.000017 0.000000 -0.000031 0.000004 -0.000011 9C 1f+1 0.000017 -0.000002 0.000008 -0.000074 0.000005 -0.000011 9C 1f-1 0.000016 -0.000030 -0.000005 -0.000020 -0.000003 -0.000001 9C 1f+2 -0.000013 0.000024 -0.000002 0.000040 -0.000003 -0.000002 9C 1f-2 0.000015 -0.000000 0.000007 -0.000005 -0.000005 -0.000005 9C 1f+3 0.000006 0.000009 -0.000002 -0.000002 0.000000 0.000003 9C 1f-3 0.000007 -0.000006 0.000003 -0.000045 0.000006 0.000003 10H 1s 0.000026 -0.000007 0.000067 -0.000005 0.000068 -0.000015 10H 2s 0.000009 -0.000112 0.000655 -0.000006 0.000613 0.000081 10H 3s -0.000190 0.000239 0.000084 0.000153 0.000829 -0.000077 10H 1pz 0.000012 -0.000021 0.000070 -0.000008 0.000059 0.000006 10H 1px -0.000019 0.000020 -0.000090 -0.000004 -0.000050 -0.000007 10H 1py 0.000007 -0.000012 0.000058 -0.000005 0.000062 0.000004 11H 1s -0.000002 -0.000003 -0.000035 -0.000002 -0.000035 -0.000005 11H 2s -0.000047 0.000111 -0.000398 0.000081 -0.000300 -0.000007 11H 3s -0.000081 -0.000011 0.000380 0.000194 0.000458 0.000039 11H 1pz 0.000008 -0.000005 -0.000053 0.000009 -0.000026 -0.000013 11H 1px -0.000002 0.000015 -0.000081 0.000008 -0.000087 -0.000006 11H 1py 0.000008 -0.000013 -0.000023 -0.000004 -0.000021 -0.000001 12H 1s 0.000000 -0.000014 0.000005 -0.000002 -0.000004 0.000003 12H 2s 0.000019 0.000110 -0.000171 0.000060 -0.000122 0.000065 12H 3s -0.000150 0.000026 0.000464 0.000188 0.000452 -0.000060 12H 1pz 0.000007 -0.000011 -0.000027 -0.000000 -0.000011 0.000003 12H 1px -0.000000 0.000012 -0.000100 0.000006 -0.000090 0.000007 12H 1py 0.000017 0.000001 -0.000014 0.000006 -0.000008 0.000014 13H 1s 0.000022 -0.000006 -0.000014 -0.000006 -0.000008 0.000061 13H 2s -0.000068 -0.000103 0.000009 0.000035 0.000005 0.000564 13H 3s -0.000005 0.000196 0.000006 0.000078 0.000062 0.000116 13H 1pz 0.000006 -0.000023 -0.000009 -0.000001 -0.000006 0.000102 13H 1px 0.000003 0.000010 0.000003 0.000004 0.000007 -0.000036 13H 1py -0.000002 0.000014 0.000005 -0.000003 0.000002 -0.000031 14H 1s -0.000002 -0.000015 -0.000006 -0.000016 -0.000010 0.000019 14H 2s 0.000056 0.000047 0.000015 0.000092 -0.000040 -0.000046 14H 3s -0.000144 0.000095 -0.000003 -0.000043 0.000102 0.000498 14H 1pz 0.000017 -0.000013 -0.000006 0.000006 -0.000017 0.000053 14H 1px 0.000012 -0.000000 -0.000005 0.000009 -0.000018 -0.000071 14H 1py -0.000007 0.000003 0.000002 -0.000002 0.000006 0.000040 15H 1s -0.000005 -0.000001 0.000005 -0.000008 -0.000003 -0.000045 15H 2s -0.000038 0.000102 0.000063 -0.000052 0.000046 -0.000425 15H 3s -0.000043 0.000012 -0.000135 0.000194 -0.000094 0.000370 15H 1pz 0.000012 -0.000017 -0.000007 0.000007 -0.000002 0.000016 15H 1px 0.000003 0.000004 0.000002 -0.000007 0.000006 -0.000052 15H 1py -0.000009 0.000003 -0.000016 0.000026 -0.000007 0.000073 16H 1s -0.000652 0.000027 0.000018 -0.000005 0.000000 -0.000009 16H 2s -0.000199 0.000030 -0.000418 0.000060 -0.000021 0.000090 16H 3s 0.001131 -0.000136 0.000259 0.000027 0.000102 0.000034 16H 1pz -0.000575 0.000013 -0.000108 0.000008 0.000001 0.000041 16H 1px -0.000048 0.000006 -0.000008 -0.000005 -0.000006 -0.000007 16H 1py -0.000303 0.000007 -0.000038 0.000001 -0.000002 0.000016 17H 1s -0.000655 0.000027 -0.000005 0.000003 0.000003 0.000001 17H 2s -0.000242 0.000042 -0.000120 -0.000013 -0.000003 0.000143 17H 3s 0.001094 -0.000135 -0.000020 0.000008 0.000018 -0.000048 17H 1pz 0.000412 -0.000013 0.000020 -0.000003 0.000000 -0.000035 17H 1px 0.000323 -0.000004 0.000024 0.000002 0.000002 -0.000007 17H 1py -0.000402 0.000011 0.000006 -0.000006 0.000001 0.000009 18H 1s 0.000014 0.000655 0.000003 -0.000004 -0.000005 0.000001 18H 2s -0.000025 0.000247 -0.000010 -0.000130 0.000132 -0.000033 18H 3s 0.000067 -0.001099 0.000010 -0.000023 0.000067 0.000096 18H 1pz 0.000013 0.000422 0.000003 -0.000022 0.000033 -0.000006 18H 1px 0.000017 0.000325 -0.000002 -0.000027 0.000050 0.000002 18H 1py -0.000014 -0.000391 0.000007 -0.000006 -0.000025 0.000002 19H 1s 0.000013 0.000652 -0.000005 0.000018 -0.000001 0.000006 19H 2s -0.000018 0.000196 0.000073 -0.000424 0.000213 -0.000027 19H 3s 0.000066 -0.001141 0.000019 0.000259 -0.000025 0.000011 19H 1pz -0.000023 -0.000567 -0.000011 0.000109 -0.000047 0.000006 19H 1px 0.000004 -0.000044 0.000005 0.000007 -0.000011 -0.000001 19H 1py -0.000012 -0.000315 -0.000002 0.000042 -0.000015 0.000000 20H 1s 0.000001 0.000005 -0.000008 0.000005 -0.000006 0.000002 20H 2s -0.000099 0.000043 -0.000055 0.000062 -0.000007 0.000098 20H 3s -0.000006 0.000044 0.000199 -0.000130 0.000070 0.000152 20H 1pz -0.000016 0.000012 -0.000007 0.000006 -0.000001 0.000007 20H 1px 0.000005 0.000002 0.000008 -0.000002 0.000003 -0.000005 20H 1py 0.000003 -0.000009 -0.000027 0.000015 -0.000014 0.000014 21H 1s 0.000015 0.000001 -0.000016 -0.000006 0.000001 -0.000002 21H 2s -0.000052 -0.000052 0.000091 0.000017 0.000067 0.000051 21H 3s -0.000082 0.000148 -0.000042 -0.000005 -0.000037 0.000129 21H 1pz -0.000012 0.000018 -0.000006 0.000006 -0.000006 0.000003 21H 1px 0.000001 0.000011 -0.000009 0.000005 -0.000012 -0.000011 21H 1py 0.000003 -0.000008 0.000002 -0.000002 0.000005 0.000003 22H 1s 0.000004 -0.000022 -0.000006 -0.000014 -0.000017 -0.000008 22H 2s 0.000107 0.000062 0.000035 0.000012 0.000080 -0.000047 22H 3s -0.000194 0.000016 0.000079 0.000005 -0.000059 0.000134 22H 1pz -0.000022 0.000007 0.000001 0.000009 -0.000007 0.000010 22H 1px 0.000010 0.000002 -0.000004 -0.000003 0.000004 0.000002 22H 1py 0.000014 -0.000003 0.000004 -0.000005 0.000005 -0.000010 23H 1s 0.000013 -0.000001 -0.000002 0.000003 0.000002 -0.000010 23H 2s -0.000111 -0.000009 0.000066 -0.000185 -0.000039 -0.000039 23H 3s -0.000015 0.000148 0.000175 0.000463 0.000127 0.000122 23H 1pz -0.000011 0.000008 -0.000000 0.000027 0.000006 0.000005 23H 1px 0.000012 -0.000001 -0.000009 0.000100 0.000001 0.000006 23H 1py 0.000002 0.000016 -0.000007 0.000018 0.000012 0.000025 24H 1s 0.000004 0.000002 -0.000001 -0.000034 0.000004 -0.000006 24H 2s -0.000108 0.000053 0.000092 -0.000392 -0.000014 0.000064 24H 3s 0.000017 0.000081 0.000184 0.000387 0.000134 -0.000087 24H 1pz -0.000005 0.000009 -0.000010 0.000051 0.000009 -0.000006 24H 1px 0.000016 -0.000003 -0.000011 0.000082 0.000000 -0.000010 24H 1py -0.000012 0.000008 0.000003 0.000025 -0.000000 -0.000001 25H 1s 0.000006 -0.000027 -0.000007 0.000068 0.000003 -0.000009 25H 2s 0.000112 -0.000015 -0.000025 0.000663 -0.000039 -0.000004 25H 3s -0.000230 0.000205 0.000151 0.000082 0.000072 0.000062 25H 1pz -0.000020 0.000013 0.000010 -0.000073 0.000009 0.000004 25H 1px 0.000019 -0.000020 0.000001 0.000091 -0.000004 -0.000009 25H 1py -0.000011 0.000008 0.000007 -0.000055 0.000007 0.000001 26O 1s 0.000004 -0.000013 0.435595 0.006380 -0.000145 0.000211 26O 2s 0.000007 -0.000017 0.639936 0.009379 -0.000244 0.000323 26O 3s -0.000007 -0.000022 0.032488 0.000425 0.000093 -0.000035 26O 4s 0.000083 -0.000038 -0.025060 -0.000294 0.000259 0.000061 26O 5s -0.000302 0.000890 0.011788 0.001619 0.002566 -0.002216 26O 1pz 0.000004 -0.000005 0.000304 -0.000007 -0.000017 -0.000018 26O 1px -0.000003 0.000010 -0.001603 -0.000015 -0.000007 -0.000040 26O 1py -0.000000 0.000003 -0.000412 -0.000009 -0.000010 -0.000017 26O 2pz 0.000004 0.000011 -0.000132 0.000002 0.000163 0.000125 26O 2px 0.000121 -0.000087 0.004341 -0.000071 -0.000562 0.000371 26O 2py 0.000045 -0.000043 0.001546 -0.000028 -0.000128 0.000163 26O 3pz -0.000495 0.000221 0.001939 0.000579 0.001936 -0.000249 26O 3px -0.001162 -0.000457 0.000206 -0.000277 -0.000707 0.000793 26O 3py -0.000661 0.000001 0.001271 0.000257 0.000971 0.000490 26O 1dz2 0.000002 -0.000001 -0.000129 -0.000013 0.000005 -0.000001 26O 1dxz 0.000021 0.000006 0.000056 0.000001 0.000013 0.000000 26O 1dyz 0.000003 -0.000006 -0.000006 -0.000016 0.000045 -0.000003 26O 1dx2y2 -0.000005 -0.000002 0.000131 0.000006 0.000015 0.000016 26O 1dxy 0.000009 0.000000 0.000156 0.000002 0.000036 -0.000003 26O 2dz2 0.000000 -0.000015 0.000740 0.000042 -0.000104 0.000051 26O 2dxz -0.000071 -0.000024 -0.000275 0.000006 -0.000137 -0.000023 26O 2dyz -0.000017 0.000020 0.000005 0.000072 -0.000212 0.000010 26O 2dx2y2 0.000003 0.000036 -0.000770 -0.000013 0.000078 -0.000134 26O 2dxy -0.000043 0.000024 -0.000873 0.000012 -0.000088 -0.000048 26O 1f0 0.000007 0.000002 -0.000018 0.000002 0.000000 -0.000006 26O 1f+1 -0.000004 0.000007 -0.000096 -0.000000 0.000026 -0.000010 26O 1f-1 0.000003 0.000002 -0.000043 0.000009 0.000018 -0.000001 26O 1f+2 -0.000006 -0.000001 0.000020 -0.000005 -0.000047 0.000002 26O 1f-2 -0.000008 -0.000003 0.000021 0.000002 0.000052 0.000005 26O 1f+3 -0.000005 0.000002 -0.000048 -0.000001 -0.000013 -0.000004 26O 1f-3 0.000004 0.000009 -0.000132 -0.000002 -0.000025 -0.000009 27O 1s -0.000013 -0.000005 -0.000218 -0.000041 -0.001145 0.435120 27O 2s -0.000014 -0.000007 -0.000307 -0.000057 -0.001680 0.639230 27O 3s -0.000055 -0.000020 -0.000060 -0.000030 -0.000099 0.032402 27O 4s 0.000223 -0.000054 0.000066 0.000150 0.000178 -0.024962 27O 5s -0.000117 0.001220 -0.002615 -0.000849 -0.000983 0.011633 27O 1pz 0.000003 -0.000005 -0.000011 0.000010 0.000001 0.000362 27O 1px 0.000002 0.000013 -0.000045 -0.000002 -0.000000 -0.001624 27O 1py 0.000004 0.000005 0.000015 -0.000003 -0.000010 -0.000043 27O 2pz -0.000017 0.000013 0.000058 -0.000051 0.000011 -0.000591 27O 2px 0.000037 -0.000139 0.000449 -0.000003 0.000022 0.004548 27O 2py -0.000028 0.000008 -0.000127 -0.000001 0.000047 -0.000463 27O 3pz -0.000019 0.000185 -0.000477 -0.000086 -0.000086 0.001150 27O 3px -0.001099 -0.000555 0.001023 0.000023 0.000129 0.000480 27O 3py 0.000588 -0.000076 -0.000178 0.000105 0.000092 -0.001794 27O 1dz2 -0.000005 0.000003 -0.000001 -0.000003 0.000007 -0.000105 27O 1dxz 0.000008 0.000003 0.000002 -0.000002 0.000005 0.000001 27O 1dyz 0.000001 0.000009 -0.000003 0.000001 -0.000006 0.000043 27O 1dx2y2 -0.000004 -0.000001 0.000014 -0.000009 -0.000001 0.000202 27O 1dxy -0.000014 -0.000000 0.000008 0.000000 0.000001 -0.000105 27O 2dz2 0.000013 -0.000039 0.000059 0.000005 -0.000014 0.000649 27O 2dxz -0.000022 -0.000019 -0.000007 0.000021 -0.000036 0.000074 27O 2dyz 0.000002 -0.000033 0.000014 0.000003 0.000034 -0.000150 27O 2dx2y2 0.000021 0.000052 -0.000160 0.000042 -0.000000 -0.001123 27O 2dxy 0.000031 -0.000012 0.000004 0.000013 -0.000009 0.000512 27O 1f0 0.000004 -0.000001 -0.000004 0.000009 0.000001 0.000017 27O 1f+1 0.000006 0.000009 -0.000014 0.000004 -0.000000 -0.000101 27O 1f-1 -0.000004 -0.000002 0.000003 -0.000003 0.000003 0.000015 27O 1f+2 -0.000003 0.000002 -0.000000 -0.000002 0.000005 -0.000024 27O 1f-2 0.000001 0.000001 0.000001 0.000002 -0.000000 0.000008 27O 1f+3 -0.000002 0.000010 -0.000009 0.000001 -0.000004 -0.000115 27O 1f-3 -0.000013 -0.000006 0.000007 -0.000000 -0.000008 0.000075 28O 1s 0.000005 0.000011 0.000152 -0.000129 0.435577 0.000788 28O 2s 0.000006 0.000012 0.000193 -0.000183 0.639911 0.001160 28O 3s 0.000020 0.000055 0.000111 -0.000070 0.032522 0.000041 28O 4s 0.000057 -0.000225 0.000201 0.000236 -0.025266 0.000083 28O 5s -0.001199 -0.000075 0.002794 0.000612 0.011798 -0.000734 28O 1pz -0.000001 -0.000003 -0.000018 -0.000006 -0.000708 0.000004 28O 1px 0.000015 0.000001 -0.000002 0.000004 0.001536 0.000007 28O 1py 0.000005 0.000004 -0.000009 -0.000001 0.000160 0.000010 28O 2pz 0.000058 -0.000005 -0.000202 -0.000020 0.002555 -0.000013 28O 2px -0.000115 0.000014 0.000547 0.000041 -0.003984 -0.000005 28O 2py -0.000012 -0.000021 0.000071 -0.000002 0.000023 -0.000055 28O 3pz 0.000302 0.000899 0.001090 -0.000785 0.001797 -0.000082 28O 3px -0.000573 -0.000828 0.001277 0.000463 0.000514 -0.000069 28O 3py -0.000016 0.000392 0.001186 -0.000283 0.001334 -0.000078 28O 1dz2 0.000001 -0.000009 0.000022 0.000001 0.000027 0.000007 28O 1dxz -0.000000 0.000004 -0.000022 0.000009 -0.000215 0.000007 28O 1dyz 0.000006 -0.000008 0.000044 0.000003 0.000004 -0.000002 28O 1dx2y2 0.000005 0.000009 0.000017 -0.000005 0.000114 0.000001 28O 1dxy 0.000005 0.000007 0.000011 0.000002 -0.000050 0.000003 28O 2dz2 -0.000004 0.000023 -0.000147 -0.000001 -0.000121 -0.000036 28O 2dxz 0.000050 0.000007 -0.000024 -0.000060 0.001227 -0.000026 28O 2dyz -0.000024 0.000022 -0.000196 -0.000011 -0.000029 0.000004 28O 2dx2y2 -0.000053 -0.000036 0.000068 0.000033 -0.000687 0.000007 28O 2dxy -0.000018 -0.000010 -0.000010 -0.000014 0.000250 -0.000027 28O 1f0 -0.000005 0.000000 0.000012 -0.000001 -0.000060 -0.000000 28O 1f+1 -0.000007 -0.000011 0.000007 0.000003 -0.000074 -0.000000 28O 1f-1 0.000002 0.000005 0.000057 0.000002 0.000004 -0.000007 28O 1f+2 0.000011 0.000003 -0.000003 -0.000002 0.000128 -0.000001 28O 1f-2 -0.000002 -0.000009 -0.000019 0.000003 -0.000018 0.000003 28O 1f+3 0.000006 -0.000003 0.000024 0.000001 0.000067 0.000001 28O 1f-3 -0.000001 -0.000006 0.000041 0.000000 -0.000021 0.000008 29O 1s -0.435419 0.013545 0.000005 0.000012 0.000004 -0.000012 29O 2s -0.639829 0.019928 0.000006 0.000020 0.000007 -0.000022 29O 3s -0.031116 0.000796 0.000001 -0.000014 -0.000002 0.000066 29O 4s 0.020127 -0.000074 -0.000175 0.000065 0.000015 -0.000308 29O 5s -0.012410 -0.000726 0.001149 -0.000195 -0.000055 0.000594 29O 1pz 0.000344 -0.000020 0.000013 0.000002 0.000004 -0.000004 29O 1px -0.000625 0.000044 0.000013 -0.000002 -0.000004 0.000024 29O 1py 0.001246 -0.000043 0.000015 0.000000 0.000001 0.000000 29O 2pz -0.000367 0.000050 -0.000115 -0.000002 -0.000012 0.000035 29O 2px 0.000574 -0.000120 -0.000001 0.000005 0.000019 -0.000076 29O 2py -0.001708 0.000062 -0.000088 -0.000003 -0.000004 0.000011 29O 3pz -0.000386 -0.000162 -0.000091 0.000052 -0.000006 -0.000052 29O 3px 0.001624 0.000412 -0.000384 0.000057 -0.000035 -0.000334 29O 3py 0.001484 -0.000009 -0.000287 0.000042 -0.000003 0.000240 29O 1dz2 -0.000080 0.000005 0.000008 -0.000002 0.000002 0.000008 29O 1dxz -0.000075 0.000004 -0.000006 0.000002 -0.000003 0.000000 29O 1dyz -0.000020 0.000001 0.000002 0.000000 -0.000002 -0.000011 29O 1dx2y2 0.000065 -0.000004 -0.000009 0.000001 -0.000001 -0.000017 29O 1dxy 0.000092 -0.000005 -0.000008 0.000002 -0.000003 0.000008 29O 2dz2 0.000378 -0.000017 0.000011 0.000004 -0.000004 -0.000042 29O 2dxz 0.000313 -0.000014 0.000020 -0.000002 0.000011 -0.000010 29O 2dyz 0.000081 -0.000003 0.000027 -0.000006 0.000005 0.000027 29O 2dx2y2 -0.000190 0.000010 0.000024 -0.000005 0.000000 0.000061 29O 2dxy -0.000397 0.000021 0.000021 -0.000008 0.000010 -0.000016 29O 1f0 -0.000124 0.000003 -0.000011 0.000001 0.000001 0.000004 29O 1f+1 0.000055 -0.000001 0.000007 -0.000001 0.000002 0.000003 29O 1f-1 -0.000126 0.000005 -0.000012 0.000001 0.000001 0.000002 29O 1f+2 0.000053 0.000001 0.000002 0.000000 -0.000002 -0.000004 29O 1f-2 -0.000079 0.000005 0.000003 -0.000001 0.000000 0.000001 29O 1f+3 0.000037 0.000003 0.000007 -0.000001 0.000000 0.000001 29O 1f-3 0.000048 -0.000000 0.000000 -0.000001 0.000001 -0.000004 30O 1s 0.000005 -0.000003 -0.000030 -0.000146 -0.000442 0.000386 30O 2s 0.000007 -0.000006 -0.000041 -0.000202 -0.000636 0.000537 30O 3s 0.000015 0.000003 -0.000031 -0.000051 -0.000079 0.000128 30O 4s 0.000068 -0.000079 0.000165 0.000046 0.000078 0.000195 30O 5s -0.001005 0.000613 -0.000847 -0.002429 -0.002333 0.002690 30O 1pz -0.000002 -0.000001 -0.000001 -0.000021 -0.000029 -0.000007 30O 1px 0.000012 -0.000007 0.000005 0.000024 0.000020 -0.000003 30O 1py 0.000000 -0.000001 -0.000009 0.000034 0.000025 0.000017 30O 2pz 0.000029 -0.000083 0.000016 0.000207 0.000262 -0.000209 30O 2px -0.000078 0.000128 -0.000007 -0.000263 -0.000241 0.000532 30O 2py -0.000033 0.000086 0.000049 -0.000295 -0.000235 0.000127 30O 3pz 0.000209 0.000796 -0.000019 0.000673 0.000146 0.000626 30O 3px -0.000545 -0.000580 -0.000106 -0.000863 -0.000844 0.001531 30O 3py -0.000095 -0.000822 0.000069 -0.000194 -0.000489 -0.001268 30O 1dz2 -0.000006 -0.000011 0.000007 -0.000014 0.000006 -0.000018 30O 1dxz -0.000001 0.000001 0.000005 -0.000003 -0.000008 -0.000013 30O 1dyz -0.000003 0.000014 -0.000004 0.000004 -0.000002 -0.000053 30O 1dx2y2 0.000003 0.000015 0.000002 0.000007 0.000012 -0.000007 30O 1dxy -0.000004 -0.000011 -0.000005 0.000007 -0.000000 0.000001 30O 2dz2 0.000033 0.000029 -0.000033 0.000082 -0.000021 0.000015 30O 2dxz 0.000030 -0.000024 -0.000011 0.000079 0.000100 -0.000049 30O 2dyz 0.000026 -0.000066 0.000021 0.000026 0.000056 0.000192 30O 2dx2y2 -0.000027 -0.000041 -0.000003 -0.000043 -0.000079 0.000151 30O 2dxy -0.000009 0.000054 0.000036 -0.000104 -0.000065 0.000069 30O 1f0 -0.000007 0.000002 0.000005 -0.000008 -0.000009 -0.000041 30O 1f+1 -0.000001 -0.000002 -0.000003 -0.000000 -0.000006 0.000030 30O 1f-1 -0.000001 -0.000005 0.000001 -0.000003 -0.000001 -0.000024 30O 1f+2 0.000001 -0.000007 0.000006 -0.000001 0.000003 -0.000025 30O 1f-2 0.000009 0.000005 0.000001 0.000010 0.000010 0.000015 30O 1f+3 -0.000002 -0.000008 0.000006 -0.000005 -0.000002 0.000035 30O 1f-3 0.000006 -0.000004 -0.000004 0.000011 0.000005 -0.000029 31O 1s 0.000002 -0.000005 -0.000143 -0.000035 -0.000077 -0.000270 31O 2s 0.000005 -0.000007 -0.000197 -0.000048 -0.000111 -0.000388 31O 3s -0.000006 -0.000014 -0.000050 -0.000033 -0.000027 -0.000085 31O 4s 0.000080 -0.000074 0.000039 0.000169 0.000128 0.000223 31O 5s -0.000516 0.001043 -0.002411 -0.000922 -0.000901 0.000612 31O 1pz -0.000001 -0.000001 0.000021 0.000002 -0.000006 0.000001 31O 1px -0.000006 0.000013 -0.000024 -0.000006 -0.000008 -0.000002 31O 1py -0.000001 0.000000 -0.000034 0.000008 0.000002 -0.000004 31O 2pz -0.000078 0.000033 -0.000207 -0.000022 0.000032 0.000022 31O 2px 0.000119 -0.000086 0.000263 0.000014 0.000041 -0.000022 31O 2py 0.000081 -0.000038 0.000297 -0.000040 0.000009 -0.000018 31O 3pz 0.000819 0.000158 -0.000676 -0.000001 0.000045 0.000579 31O 3px -0.000626 -0.000508 0.000864 0.000133 0.000176 -0.000355 31O 3py -0.000836 -0.000043 0.000198 -0.000065 -0.000110 -0.000784 31O 1dz2 0.000012 0.000005 -0.000014 0.000006 -0.000007 0.000002 31O 1dxz -0.000001 0.000001 -0.000003 0.000005 0.000002 0.000007 31O 1dyz -0.000013 0.000004 0.000004 -0.000004 0.000004 0.000004 31O 1dx2y2 -0.000015 -0.000002 0.000007 0.000002 -0.000006 -0.000004 31O 1dxy 0.000011 0.000004 0.000008 -0.000005 -0.000004 -0.000008 31O 2dz2 -0.000031 -0.000031 0.000082 -0.000030 0.000038 -0.000009 31O 2dxz 0.000020 -0.000031 0.000080 -0.000008 -0.000019 -0.000043 31O 2dyz 0.000063 -0.000030 0.000026 0.000022 -0.000006 -0.000029 31O 2dx2y2 0.000043 0.000025 -0.000043 -0.000004 0.000021 0.000014 31O 2dxy -0.000051 0.000012 -0.000106 0.000033 0.000007 0.000051 31O 1f0 0.000001 -0.000007 0.000008 -0.000004 -0.000004 -0.000002 31O 1f+1 -0.000002 -0.000000 0.000000 0.000003 -0.000008 0.000001 31O 1f-1 -0.000005 -0.000001 0.000003 -0.000001 -0.000002 -0.000002 31O 1f+2 -0.000007 0.000002 0.000001 -0.000006 -0.000004 -0.000001 31O 1f-2 0.000006 0.000009 -0.000010 -0.000001 0.000002 0.000005 31O 1f+3 -0.000008 -0.000002 0.000005 -0.000006 0.000002 -0.000002 31O 1f-3 -0.000004 0.000006 -0.000011 0.000004 -0.000003 -0.000001 32O 1s 0.013550 0.435419 0.000012 0.000004 -0.000010 0.000006 32O 2s 0.019888 0.639831 0.000020 0.000005 -0.000020 0.000010 32O 3s 0.001140 0.031105 -0.000014 0.000000 0.000074 -0.000008 32O 4s -0.001178 -0.020093 0.000070 -0.000171 -0.000326 0.000039 32O 5s 0.001495 0.012343 -0.000228 0.001156 0.000488 -0.000085 32O 1pz 0.000000 0.000314 -0.000001 -0.000013 0.000011 0.000001 32O 1px 0.000004 -0.000637 0.000002 -0.000012 -0.000020 0.000006 32O 1py 0.000035 0.001249 0.000000 -0.000016 -0.000000 -0.000001 32O 2pz 0.000028 -0.000327 -0.000002 0.000113 -0.000021 0.000000 32O 2px -0.000083 0.000596 -0.000005 -0.000002 0.000085 -0.000027 32O 2py -0.000044 -0.001711 -0.000000 0.000093 -0.000030 0.000005 32O 3pz -0.000184 -0.000396 -0.000055 0.000088 -0.000338 0.000007 32O 3px 0.000513 0.001588 -0.000067 0.000380 0.000220 0.000002 32O 3py 0.000083 0.001486 -0.000051 0.000292 -0.000217 0.000029 32O 1dz2 0.000000 0.000081 -0.000002 0.000008 0.000000 -0.000001 32O 1dxz 0.000001 0.000076 0.000002 -0.000006 0.000021 0.000001 32O 1dyz 0.000000 0.000022 0.000000 0.000002 0.000005 0.000003 32O 1dx2y2 -0.000000 -0.000064 0.000001 -0.000008 -0.000008 0.000003 32O 1dxy -0.000000 -0.000091 0.000002 -0.000008 0.000009 -0.000003 32O 2dz2 -0.000006 -0.000378 0.000004 0.000011 -0.000019 0.000005 32O 2dxz -0.000005 -0.000318 -0.000002 0.000021 -0.000087 -0.000001 32O 2dyz -0.000002 -0.000091 -0.000007 0.000028 -0.000015 -0.000009 32O 2dx2y2 0.000002 0.000187 -0.000005 0.000022 0.000034 -0.000011 32O 2dxy 0.000004 0.000394 -0.000008 0.000019 -0.000010 0.000006 32O 1f0 -0.000005 -0.000116 -0.000001 0.000010 -0.000003 0.000001 32O 1f+1 0.000003 0.000061 0.000001 -0.000007 0.000007 0.000001 32O 1f-1 -0.000003 -0.000130 -0.000001 0.000013 -0.000007 0.000000 32O 1f+2 0.000005 0.000059 -0.000000 -0.000002 -0.000001 -0.000001 32O 1f-2 -0.000000 -0.000077 0.000001 -0.000003 -0.000002 -0.000001 32O 1f+3 0.000005 0.000034 0.000001 -0.000008 0.000004 0.000001 32O 1f-3 0.000003 0.000046 0.000001 -0.000000 0.000002 -0.000001 33O 1s -0.000012 -0.000004 -0.000124 0.000144 -0.002496 -0.010677 33O 2s -0.000012 -0.000005 -0.000175 0.000182 -0.003660 -0.015672 33O 3s -0.000058 -0.000017 -0.000072 0.000109 -0.000239 -0.000842 33O 4s 0.000226 -0.000071 0.000228 0.000206 0.000224 0.000663 33O 5s 0.000139 0.001186 0.000529 0.002805 0.001282 -0.002619 33O 1pz -0.000003 -0.000000 0.000006 0.000018 0.000003 0.000015 33O 1px 0.000002 0.000015 -0.000004 0.000002 0.000021 0.000007 33O 1py 0.000004 0.000005 0.000001 0.000009 0.000010 0.000021 33O 2pz -0.000002 0.000057 0.000014 0.000202 0.000079 -0.000240 33O 2px 0.000006 -0.000116 -0.000025 -0.000547 -0.000143 0.000216 33O 2py -0.000023 -0.000011 0.000004 -0.000071 -0.000009 -0.000118 33O 3pz 0.000916 0.000244 0.000813 -0.001067 -0.000287 -0.000496 33O 3px -0.000860 -0.000517 -0.000423 -0.001289 -0.000371 0.000753 33O 3py 0.000392 -0.000039 0.000318 -0.001176 -0.000312 0.000334 33O 1dz2 0.000009 -0.000002 0.000001 0.000022 -0.000008 -0.000014 33O 1dxz -0.000004 0.000001 0.000009 -0.000022 -0.000006 -0.000000 33O 1dyz 0.000008 -0.000006 0.000002 0.000044 -0.000016 0.000002 33O 1dx2y2 -0.000009 -0.000004 -0.000006 0.000016 0.000004 0.000005 33O 1dxy -0.000007 -0.000005 0.000002 0.000011 -0.000005 -0.000002 33O 2dz2 -0.000023 0.000005 0.000003 -0.000146 0.000042 0.000056 33O 2dxz -0.000010 -0.000049 -0.000059 -0.000025 -0.000006 0.000086 33O 2dyz -0.000021 0.000025 -0.000005 -0.000197 0.000071 -0.000024 33O 2dx2y2 0.000039 0.000051 0.000031 0.000069 -0.000002 -0.000068 33O 2dxy 0.000010 0.000017 -0.000014 -0.000010 0.000015 0.000026 33O 1f0 -0.000000 -0.000005 0.000001 -0.000012 -0.000000 0.000002 33O 1f+1 -0.000011 -0.000007 -0.000003 -0.000007 -0.000002 0.000004 33O 1f-1 0.000005 0.000002 0.000000 -0.000057 -0.000009 -0.000004 33O 1f+2 0.000004 0.000011 0.000001 0.000003 0.000004 -0.000008 33O 1f-2 -0.000009 -0.000001 -0.000004 0.000019 -0.000004 0.000003 33O 1f+3 -0.000002 0.000007 -0.000001 -0.000024 -0.000002 -0.000005 33O 1f-3 -0.000006 -0.000001 0.000001 -0.000041 -0.000001 0.000006 34O 1s 0.000006 0.000013 -0.000034 -0.000222 -0.006884 -0.018629 34O 2s 0.000008 0.000014 -0.000048 -0.000312 -0.010100 -0.027361 34O 3s 0.000024 0.000055 -0.000028 -0.000061 -0.000563 -0.001434 34O 4s 0.000038 -0.000229 0.000149 0.000069 0.000469 0.001130 34O 5s -0.001196 0.000209 -0.000776 -0.002642 -0.002524 0.000826 34O 1pz -0.000004 0.000003 -0.000010 0.000011 0.000004 0.000023 34O 1px 0.000013 0.000001 0.000000 0.000045 0.000015 -0.000075 34O 1py 0.000005 0.000003 0.000004 -0.000015 -0.000024 -0.000012 34O 2pz 0.000012 -0.000017 0.000053 -0.000057 0.000010 -0.000040 34O 2px -0.000136 0.000048 0.000016 -0.000449 -0.000321 0.000318 34O 2py 0.000005 -0.000029 -0.000002 0.000127 0.000167 -0.000028 34O 3pz 0.000180 -0.000034 0.000072 0.000482 -0.000038 -0.000314 34O 3px -0.000620 -0.001061 0.000006 -0.001023 -0.000955 0.000151 34O 3py -0.000036 0.000593 -0.000111 0.000175 -0.000205 0.000405 34O 1dz2 -0.000002 0.000006 -0.000003 -0.000001 -0.000004 0.000005 34O 1dxz -0.000003 -0.000008 -0.000003 0.000002 -0.000015 -0.000003 34O 1dyz -0.000009 -0.000000 0.000001 -0.000003 0.000003 0.000014 34O 1dx2y2 0.000001 0.000004 -0.000010 0.000014 0.000001 0.000002 34O 1dxy 0.000001 0.000014 -0.000000 0.000008 0.000001 0.000010 34O 2dz2 0.000039 -0.000016 0.000003 0.000059 0.000071 -0.000047 34O 2dxz 0.000021 0.000020 0.000021 -0.000006 0.000076 0.000012 34O 2dyz 0.000033 -0.000005 0.000003 0.000014 -0.000023 -0.000058 34O 2dx2y2 -0.000054 -0.000017 0.000046 -0.000159 -0.000079 0.000024 34O 2dxy 0.000010 -0.000032 0.000013 0.000005 0.000034 -0.000059 34O 1f0 -0.000001 0.000004 -0.000009 0.000003 -0.000000 0.000006 34O 1f+1 0.000009 0.000005 -0.000004 0.000014 0.000005 -0.000003 34O 1f-1 -0.000002 -0.000004 0.000003 -0.000003 -0.000000 0.000003 34O 1f+2 0.000002 -0.000003 0.000002 0.000001 0.000004 0.000006 34O 1f-2 0.000001 0.000001 -0.000002 -0.000001 0.000000 0.000005 34O 1f+3 0.000010 -0.000003 -0.000001 0.000009 0.000007 -0.000008 34O 1f-3 -0.000007 -0.000013 0.000000 -0.000007 -0.000010 0.000005 35O 1s 0.000012 -0.000004 -0.006381 0.435595 0.000127 0.000032 35O 2s 0.000016 -0.000007 -0.009369 0.639936 0.000193 0.000050 35O 3s 0.000022 0.000008 -0.000527 0.032487 -0.000052 -0.000020 35O 4s 0.000034 -0.000093 0.000440 -0.025059 0.000206 0.000129 35O 5s -0.000876 0.000320 0.001273 0.011828 0.000669 -0.000870 35O 1pz -0.000005 0.000004 0.000016 -0.000304 0.000001 -0.000012 35O 1px 0.000010 -0.000003 -0.000032 0.001603 0.000005 0.000001 35O 1py 0.000003 0.000000 -0.000003 0.000413 0.000004 -0.000000 35O 2pz 0.000010 0.000003 -0.000006 0.000133 0.000006 0.000058 35O 2px -0.000080 0.000120 0.000198 -0.004336 0.000039 0.000000 35O 2py -0.000040 0.000044 0.000074 -0.001548 0.000014 -0.000016 35O 3pz 0.000194 -0.000511 -0.000522 -0.001953 0.000370 0.000114 35O 3px -0.000529 -0.001150 0.000283 -0.000199 0.000718 -0.000091 35O 3py -0.000038 -0.000666 -0.000220 -0.001279 0.000516 0.000044 35O 1dz2 0.000001 -0.000002 -0.000009 -0.000129 0.000006 -0.000002 35O 1dxz -0.000007 -0.000021 -0.000000 0.000056 0.000000 -0.000003 35O 1dyz 0.000005 -0.000003 -0.000016 -0.000006 0.000002 0.000004 35O 1dx2y2 0.000003 0.000005 0.000002 0.000131 -0.000006 -0.000009 35O 1dxy -0.000001 -0.000008 -0.000002 0.000156 -0.000005 -0.000002 35O 2dz2 0.000015 0.000001 0.000020 0.000741 -0.000037 0.000001 35O 2dxz 0.000028 0.000069 0.000014 -0.000274 0.000008 0.000021 35O 2dyz -0.000019 0.000019 0.000071 0.000007 -0.000007 -0.000017 35O 2dx2y2 -0.000036 -0.000003 0.000010 -0.000769 0.000041 0.000041 35O 2dxy -0.000022 0.000042 0.000038 -0.000874 0.000038 -0.000008 35O 1f0 0.000002 0.000007 -0.000002 0.000018 -0.000003 -0.000007 35O 1f+1 0.000006 -0.000004 -0.000002 0.000096 0.000000 -0.000001 35O 1f-1 0.000002 0.000003 -0.000010 0.000042 -0.000004 0.000006 35O 1f+2 -0.000001 -0.000006 0.000006 -0.000020 0.000002 0.000001 35O 1f-2 -0.000004 -0.000008 -0.000002 -0.000021 0.000003 0.000004 35O 1f+3 0.000002 -0.000005 -0.000001 0.000048 0.000000 -0.000003 35O 1f-3 0.000010 0.000003 -0.000002 0.000132 -0.000003 -0.000000 18 19 20 21 22 23 -19.06534 -19.06531 -19.06439 -19.06438 -17.65996 -17.65990 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s 0.000003 0.000000 0.000003 -0.000001 -0.000000 -0.000012 0Rh 2s 0.000037 0.000006 0.000035 -0.000011 0.000001 0.000042 0Rh 3s 0.000045 0.000007 0.000043 -0.000012 -0.000001 -0.000032 0Rh 4s -0.000147 -0.000020 -0.000140 0.000038 -0.000000 -0.000051 0Rh 5s 0.000259 0.000005 0.000249 -0.000038 -0.000002 -0.000012 0Rh 6s -0.000366 -0.000011 -0.000352 0.000058 0.000002 0.000003 0Rh 7s 0.001240 0.000253 0.001272 -0.000309 0.000034 0.000001 0Rh 8s 0.000329 -0.000153 0.000220 -0.000050 -0.000005 0.000021 0Rh 1pz -0.000000 -0.000004 -0.000000 0.000002 -0.000060 -0.000796 0Rh 1px 0.000001 -0.000002 0.000001 0.000003 -0.002038 -0.089050 0Rh 1py 0.000000 -0.000003 -0.000000 -0.000004 0.010225 0.449885 0Rh 2pz 0.000001 0.000020 0.000001 -0.000010 0.000139 0.001845 0Rh 2px -0.000004 0.000010 -0.000005 -0.000017 0.004716 0.206082 0Rh 2py -0.000001 0.000017 0.000002 0.000020 -0.023662 -1.041135 0Rh 3pz -0.000009 -0.000112 -0.000004 0.000058 0.000007 0.000116 0Rh 3px 0.000024 -0.000059 0.000033 0.000095 0.000225 0.009672 0Rh 3py 0.000007 -0.000096 -0.000008 -0.000116 -0.001123 -0.048787 0Rh 4pz 0.000022 0.000211 0.000018 -0.000104 -0.000002 -0.000069 0Rh 4px -0.000066 0.000134 -0.000083 -0.000211 -0.000032 -0.000945 0Rh 4py -0.000016 0.000189 0.000011 0.000224 0.000145 0.004624 0Rh 5pz -0.000022 -0.000080 -0.000052 0.000003 0.000001 0.000026 0Rh 5px 0.000103 -0.000175 0.000108 0.000250 0.000029 0.000491 0Rh 5py 0.000005 -0.000117 0.000019 -0.000105 -0.000127 -0.002355 0Rh 6pz 0.000069 0.002061 0.000090 -0.000902 0.000022 0.000043 0Rh 6px -0.000377 0.001921 -0.000712 -0.002755 -0.000168 -0.000282 0Rh 6py -0.000178 0.002081 0.000254 0.002419 0.000486 0.000865 0Rh 1dz2 -0.000002 0.000002 -0.000002 0.000000 -0.000000 -0.000014 0Rh 1dxz -0.000000 0.000001 0.000001 -0.000000 0.000001 0.000019 0Rh 1dyz -0.000005 0.000002 -0.000004 0.000003 -0.000000 -0.000058 0Rh 1dx2y2 -0.000001 -0.000001 -0.000001 0.000002 -0.000001 -0.000076 0Rh 1dxy -0.000001 -0.000000 -0.000002 0.000001 0.000001 0.000134 0Rh 2dz2 0.000007 -0.000006 0.000009 0.000000 -0.000000 -0.000003 0Rh 2dxz 0.000000 -0.000001 -0.000003 0.000000 0.000000 0.000001 0Rh 2dyz 0.000023 -0.000005 0.000020 -0.000007 -0.000003 -0.000038 0Rh 2dx2y2 0.000007 0.000006 0.000004 -0.000007 -0.000004 -0.000050 0Rh 2dxy 0.000005 0.000002 0.000012 -0.000001 0.000009 0.000084 0Rh 3dz2 -0.000021 0.000007 -0.000024 -0.000004 0.000001 -0.000002 0Rh 3dxz -0.000000 -0.000000 0.000009 0.000004 -0.000000 0.000005 0Rh 3dyz -0.000064 -0.000004 -0.000059 0.000003 0.000007 0.000007 0Rh 3dx2y2 -0.000020 -0.000011 -0.000013 0.000010 0.000007 0.000008 0Rh 3dxy -0.000014 -0.000007 -0.000034 -0.000004 -0.000020 -0.000021 0Rh 4dz2 0.000048 0.000046 0.000049 0.000021 -0.000001 -0.000000 0Rh 4dxz -0.000008 0.000016 -0.000021 -0.000035 -0.000001 -0.000003 0Rh 4dyz 0.000139 0.000101 0.000145 0.000079 -0.000016 -0.000004 0Rh 4dx2y2 0.000043 -0.000004 0.000044 0.000037 -0.000015 -0.000006 0Rh 4dxy 0.000046 0.000027 0.000072 0.000052 0.000044 0.000017 0Rh 5dz2 -0.000157 -0.000040 -0.000087 0.000013 0.000005 0.000002 0Rh 5dxz 0.000157 0.000051 0.000072 0.000007 0.000002 0.000008 0Rh 5dyz -0.000423 -0.000058 -0.000539 -0.000028 0.000026 -0.000015 0Rh 5dx2y2 -0.000176 -0.000023 -0.000305 -0.000031 0.000018 -0.000017 0Rh 5dxy -0.000319 0.000020 -0.000165 0.000021 -0.000060 0.000025 0Rh 1f0 -0.000001 -0.000007 0.000006 -0.000008 0.000001 0.000002 0Rh 1f+1 0.000002 0.000003 -0.000007 0.000001 0.000000 0.000006 0Rh 1f-1 0.000001 -0.000016 0.000005 -0.000004 0.000002 -0.000006 0Rh 1f+2 -0.000007 0.000008 0.000008 -0.000014 0.000001 0.000019 0Rh 1f-2 -0.000016 0.000003 0.000005 -0.000003 0.000000 -0.000045 0Rh 1f+3 0.000011 0.000002 -0.000011 0.000003 0.000000 0.000061 0Rh 1f-3 -0.000006 -0.000002 0.000011 -0.000009 -0.000001 -0.000084 1Rh 1s 0.000000 0.000004 0.000001 -0.000003 0.000012 -0.000000 1Rh 2s 0.000007 0.000037 0.000008 -0.000036 -0.000042 0.000001 1Rh 3s 0.000007 0.000045 0.000009 -0.000043 0.000032 -0.000001 1Rh 4s -0.000021 -0.000148 -0.000028 0.000142 0.000051 -0.000002 1Rh 5s 0.000007 0.000261 0.000020 -0.000251 0.000012 0.000001 1Rh 6s -0.000010 -0.000369 -0.000032 0.000355 -0.000003 -0.000001 1Rh 7s 0.000251 0.001229 0.000218 -0.001293 -0.000004 -0.000035 1Rh 8s -0.000264 0.000343 0.000044 -0.000226 -0.000020 0.000005 1Rh 1pz -0.000003 0.000000 0.000002 -0.000000 -0.000119 -0.000041 1Rh 1px -0.000000 -0.000001 0.000003 0.000001 -0.088928 0.002008 1Rh 1py 0.000004 -0.000000 -0.000004 -0.000000 0.449910 -0.010232 1Rh 2pz 0.000015 -0.000000 -0.000010 0.000001 0.000280 0.000095 1Rh 2px 0.000001 0.000004 -0.000017 -0.000004 0.205799 -0.004648 1Rh 2py -0.000022 0.000001 0.000020 0.000000 -1.041192 0.023681 1Rh 3pz -0.000088 0.000003 0.000058 -0.000008 0.000043 0.000004 1Rh 3px -0.000006 -0.000025 0.000097 0.000027 0.009659 -0.000214 1Rh 3py 0.000128 -0.000006 -0.000116 -0.000001 -0.048790 0.001096 1Rh 4pz 0.000179 -0.000016 -0.000103 0.000025 -0.000063 0.000001 1Rh 4px -0.000008 0.000067 -0.000216 -0.000069 -0.000944 0.000011 1Rh 4py -0.000251 0.000013 0.000223 -0.000003 0.004626 -0.000066 1Rh 5pz -0.000135 0.000052 0.000000 -0.000052 0.000022 0.000000 1Rh 5px 0.000111 -0.000094 0.000256 0.000092 0.000491 0.000007 1Rh 5py 0.000146 -0.000001 -0.000102 0.000026 -0.002359 -0.000020 1Rh 6pz 0.002106 0.000179 -0.000899 0.000147 0.000046 0.000020 1Rh 6px -0.000480 0.000418 -0.002790 -0.000530 -0.000287 -0.000155 1Rh 6py -0.002818 0.000171 0.002416 0.000096 0.000886 0.000446 1Rh 1dz2 -0.000000 0.000002 -0.000000 0.000002 0.000014 -0.000000 1Rh 1dxz 0.000001 0.000001 0.000000 -0.000001 -0.000019 0.000000 1Rh 1dyz -0.000002 0.000005 -0.000002 0.000004 0.000057 -0.000002 1Rh 1dx2y2 -0.000001 0.000001 -0.000002 0.000001 0.000076 -0.000003 1Rh 1dxy -0.000002 0.000002 -0.000001 0.000002 -0.000134 0.000005 1Rh 2dz2 0.000000 -0.000008 -0.000001 -0.000009 0.000003 0.000000 1Rh 2dxz -0.000005 -0.000004 -0.000000 0.000003 -0.000001 -0.000000 1Rh 2dyz 0.000003 -0.000022 0.000006 -0.000021 0.000038 0.000002 1Rh 2dx2y2 0.000004 -0.000002 0.000007 -0.000004 0.000050 0.000002 1Rh 2dxy 0.000007 -0.000011 0.000001 -0.000012 -0.000084 -0.000005 1Rh 3dz2 0.000003 0.000022 0.000005 0.000024 0.000002 -0.000001 1Rh 3dxz 0.000009 0.000011 -0.000004 -0.000009 -0.000005 0.000001 1Rh 3dyz 0.000005 0.000063 0.000001 0.000059 -0.000008 -0.000007 1Rh 3dx2y2 -0.000002 0.000006 -0.000009 0.000013 -0.000009 -0.000006 1Rh 3dxy -0.000010 0.000032 0.000006 0.000034 0.000022 0.000019 1Rh 4dz2 -0.000024 -0.000061 -0.000025 -0.000048 0.000000 0.000001 1Rh 4dxz 0.000013 -0.000017 0.000036 0.000019 0.000003 0.000001 1Rh 4dyz -0.000090 -0.000147 -0.000089 -0.000140 0.000005 0.000016 1Rh 4dx2y2 -0.000044 -0.000008 -0.000039 -0.000042 0.000006 0.000015 1Rh 4dxy -0.000034 -0.000062 -0.000057 -0.000069 -0.000019 -0.000044 1Rh 5dz2 0.000025 0.000334 -0.000007 0.000087 -0.000003 -0.000005 1Rh 5dxz -0.000007 0.000003 -0.000010 -0.000073 -0.000008 -0.000002 1Rh 5dyz 0.000016 0.000534 0.000062 0.000536 0.000014 -0.000026 1Rh 5dx2y2 -0.000011 -0.000081 0.000049 0.000304 0.000016 -0.000019 1Rh 5dxy 0.000036 0.000078 -0.000010 0.000167 -0.000022 0.000061 1Rh 1f0 0.000009 0.000006 -0.000007 0.000007 0.000002 0.000001 1Rh 1f+1 0.000000 0.000007 0.000001 -0.000007 0.000006 -0.000000 1Rh 1f-1 -0.000001 0.000015 -0.000004 0.000005 -0.000006 0.000002 1Rh 1f+2 0.000004 -0.000010 -0.000014 0.000009 0.000019 0.000000 1Rh 1f-2 0.000013 -0.000000 -0.000002 0.000005 -0.000045 0.000002 1Rh 1f+3 -0.000012 0.000002 0.000002 -0.000011 0.000061 -0.000002 1Rh 1f-3 -0.000003 0.000010 -0.000009 0.000012 -0.000084 0.000002 2C 1s 0.000001 -0.000001 0.000001 -0.000001 -0.000000 -0.000000 2C 2s -0.000004 0.000007 -0.000005 0.000003 0.000001 0.000000 2C 3s 0.000075 -0.000059 0.000093 -0.000038 0.000001 0.000005 2C 4s -0.000477 0.000240 -0.000541 0.000282 -0.000043 -0.000040 2C 5s -0.000048 0.002642 0.000219 0.000613 0.000216 0.000356 2C 1pz 0.000006 -0.000016 -0.000002 -0.000007 -0.000000 -0.000002 2C 1px -0.000002 -0.000006 -0.000005 -0.000007 -0.000000 0.000000 2C 1py -0.000008 -0.000011 0.000008 0.000003 0.000002 0.000003 2C 2pz -0.000198 0.000169 -0.000076 0.000159 -0.000055 -0.000019 2C 2px -0.000010 0.000021 0.000046 0.000098 -0.000023 -0.000009 2C 2py 0.000034 0.000115 -0.000215 -0.000014 -0.000037 -0.000039 2C 3pz 0.000085 0.000645 -0.000082 0.000035 0.000061 0.000069 2C 3px 0.000048 0.000020 -0.000123 -0.000148 0.000058 -0.000005 2C 3py -0.000179 0.000400 0.000188 0.000165 -0.000010 0.000025 2C 1dz2 -0.000011 0.000003 0.000003 0.000008 -0.000001 -0.000004 2C 1dxz -0.000001 -0.000002 -0.000003 0.000005 -0.000003 0.000000 2C 1dyz 0.000000 0.000004 -0.000010 0.000001 0.000000 0.000002 2C 1dx2y2 0.000002 -0.000002 0.000008 0.000001 -0.000002 -0.000001 2C 1dxy -0.000007 -0.000001 0.000010 0.000003 -0.000002 0.000002 2C 2dz2 -0.000032 0.000031 -0.000012 0.000032 -0.000003 0.000005 2C 2dxz -0.000002 0.000016 -0.000015 -0.000004 0.000012 0.000004 2C 2dyz -0.000001 0.000029 -0.000030 0.000007 -0.000039 -0.000033 2C 2dx2y2 0.000006 -0.000018 0.000019 0.000011 0.000019 0.000004 2C 2dxy 0.000001 -0.000008 0.000010 0.000015 -0.000008 -0.000007 2C 1f0 -0.000011 0.000004 0.000007 0.000013 0.000004 0.000002 2C 1f+1 -0.000015 0.000004 -0.000001 0.000012 0.000000 0.000002 2C 1f-1 -0.000001 -0.000003 -0.000004 0.000001 -0.000003 -0.000000 2C 1f+2 -0.000000 -0.000003 0.000013 0.000003 0.000001 0.000002 2C 1f-2 -0.000006 -0.000005 -0.000008 -0.000007 0.000002 -0.000001 2C 1f+3 0.000002 -0.000000 -0.000000 -0.000002 0.000001 -0.000002 2C 1f-3 -0.000001 0.000004 -0.000007 0.000002 -0.000002 -0.000001 3C 1s -0.000001 0.000000 -0.000012 0.000002 0.000001 0.000000 3C 2s 0.000006 -0.000001 0.000057 -0.000008 -0.000003 -0.000002 3C 3s -0.000070 0.000038 -0.000243 0.000067 0.000008 -0.000006 3C 4s 0.000227 -0.000349 -0.001251 -0.000211 0.000019 0.000073 3C 5s 0.003243 -0.000120 0.007319 -0.003035 -0.000243 -0.000488 3C 1pz -0.000013 0.000006 -0.000043 0.000011 0.000003 0.000004 3C 1px -0.000006 -0.000000 -0.000069 0.000010 -0.000000 -0.000001 3C 1py 0.000021 0.000003 0.000133 -0.000020 0.000001 0.000002 3C 2pz 0.000082 -0.000192 -0.000823 -0.000093 0.000007 0.000007 3C 2px 0.000038 -0.000072 0.000269 -0.000057 0.000035 0.000017 3C 2py -0.000104 0.000085 0.000718 0.000142 -0.000058 -0.000071 3C 3pz 0.000410 0.000132 0.000332 -0.000431 -0.000011 -0.000068 3C 3px 0.000303 0.000051 0.001500 -0.000209 -0.000106 0.000030 3C 3py -0.000716 0.000084 -0.001320 0.000698 0.000033 0.000102 3C 1dz2 0.000001 -0.000009 0.000045 -0.000002 0.000000 0.000003 3C 1dxz 0.000002 -0.000009 0.000002 -0.000001 0.000000 0.000001 3C 1dyz 0.000000 0.000005 0.000047 0.000003 0.000001 -0.000001 3C 1dx2y2 0.000001 0.000002 -0.000020 0.000004 0.000004 -0.000002 3C 1dxy -0.000004 0.000005 0.000057 -0.000002 -0.000004 0.000004 3C 2dz2 0.000001 -0.000018 -0.000233 0.000000 -0.000016 -0.000024 3C 2dxz 0.000014 -0.000020 -0.000332 -0.000003 -0.000001 -0.000003 3C 2dyz 0.000014 0.000016 0.000040 0.000012 -0.000031 -0.000034 3C 2dx2y2 -0.000011 0.000032 0.000665 0.000022 -0.000022 -0.000003 3C 2dxy -0.000003 0.000037 0.000050 0.000018 0.000000 -0.000023 3C 1f0 0.000004 0.000001 -0.000006 -0.000004 -0.000002 -0.000001 3C 1f+1 0.000003 -0.000009 -0.000035 -0.000001 -0.000000 -0.000002 3C 1f-1 0.000005 0.000011 -0.000021 0.000001 0.000001 0.000001 3C 1f+2 0.000002 0.000001 -0.000022 -0.000002 -0.000001 -0.000002 3C 1f-2 -0.000003 0.000006 0.000061 -0.000001 0.000001 -0.000001 3C 1f+3 0.000003 0.000000 -0.000097 0.000002 -0.000002 0.000001 3C 1f-3 0.000005 0.000003 0.000045 0.000005 -0.000001 0.000001 4C 1s -0.000001 0.000000 -0.000001 0.000001 -0.000001 -0.000001 4C 2s 0.000007 -0.000000 0.000004 -0.000004 0.000004 0.000003 4C 3s 0.000158 -0.000082 0.000130 -0.000180 -0.000117 -0.000108 4C 4s -0.000899 0.000376 -0.000717 0.000975 0.000516 0.000495 4C 5s -0.002224 0.000555 -0.002152 0.002249 0.000259 0.000205 4C 1pz 0.000032 0.000003 0.000037 -0.000013 -0.000007 -0.000002 4C 1px -0.000022 0.000004 -0.000032 -0.000040 0.000008 -0.000011 4C 1py 0.000008 0.000004 0.000012 -0.000018 -0.000006 -0.000009 4C 2pz -0.000672 0.000097 -0.000710 0.000135 0.000089 -0.000004 4C 2px 0.000720 0.000100 0.000753 0.000846 -0.000154 0.000196 4C 2py -0.000168 0.000093 -0.000106 0.000425 0.000031 0.000106 4C 3pz -0.001522 0.002477 -0.001118 0.001615 0.000315 0.000331 4C 3px -0.000230 0.001099 0.000185 0.000769 0.000018 0.000072 4C 3py -0.000666 0.001898 -0.001004 0.000943 0.000336 0.000342 4C 1dz2 0.000017 -0.000009 -0.000036 -0.000047 -0.000008 -0.000008 4C 1dxz 0.000045 0.000018 0.000010 0.000004 -0.000008 -0.000004 4C 1dyz -0.000015 -0.000011 0.000011 0.000020 -0.000006 -0.000002 4C 1dx2y2 0.000011 -0.000008 -0.000034 -0.000005 0.000007 0.000008 4C 1dxy 0.000003 0.000002 0.000016 0.000011 0.000004 0.000001 4C 2dz2 -0.000142 -0.000063 0.000106 -0.000068 0.000047 -0.000012 4C 2dxz 0.000351 -0.000183 0.000464 0.000067 -0.000053 0.000018 4C 2dyz 0.000037 0.000015 -0.000073 -0.000066 0.000076 0.000035 4C 2dx2y2 -0.000380 0.000211 -0.000105 0.000368 0.000055 0.000047 4C 2dxy 0.000078 0.000063 0.000053 0.000305 -0.000020 0.000102 4C 1f0 0.000016 -0.000013 0.000022 -0.000016 -0.000010 -0.000001 4C 1f+1 0.000052 -0.000020 0.000026 -0.000046 -0.000007 -0.000012 4C 1f-1 -0.000013 0.000012 -0.000013 -0.000012 0.000006 -0.000005 4C 1f+2 -0.000060 0.000018 -0.000040 0.000023 0.000016 -0.000005 4C 1f-2 0.000003 0.000006 0.000034 0.000030 -0.000006 0.000005 4C 1f+3 -0.000014 0.000009 -0.000038 -0.000029 0.000011 -0.000005 4C 1f-3 -0.000002 -0.000019 0.000020 -0.000045 -0.000001 -0.000019 5C 1s -0.000001 -0.000002 -0.000033 0.000001 0.000001 0.000001 5C 2s 0.000005 0.000008 0.000189 -0.000004 -0.000006 -0.000006 5C 3s -0.000077 0.000148 0.000079 0.000079 0.000183 0.000180 5C 4s 0.000296 -0.000848 -0.003612 -0.000265 -0.000803 -0.000794 5C 5s 0.000407 -0.002058 -0.000430 -0.000498 -0.000473 -0.000382 5C 1pz 0.000004 0.000007 -0.000141 0.000003 0.000011 -0.000000 5C 1px -0.000014 0.000034 0.000233 -0.000016 -0.000012 0.000019 5C 1py -0.000002 -0.000016 0.000127 -0.000001 -0.000016 -0.000009 5C 2pz 0.000112 0.000023 -0.003327 0.000026 -0.000156 0.000038 5C 2px -0.000303 -0.001024 0.004375 -0.000157 0.000248 -0.000319 5C 2py -0.000075 0.000308 0.003687 0.000012 0.000184 0.000066 5C 3pz 0.001972 -0.000884 0.004476 -0.001623 -0.000312 -0.000331 5C 3px 0.000599 -0.000728 -0.000590 -0.001544 -0.000150 -0.000281 5C 3py -0.003061 0.000992 -0.006208 0.002881 0.000614 0.000659 5C 1dz2 0.000019 0.000052 0.000091 -0.000006 0.000005 0.000007 5C 1dxz -0.000001 0.000004 0.000241 -0.000017 0.000013 0.000009 5C 1dyz 0.000009 -0.000020 0.000250 -0.000025 -0.000006 -0.000006 5C 1dx2y2 -0.000026 -0.000009 -0.000061 0.000001 -0.000015 -0.000015 5C 1dxy 0.000022 0.000018 -0.000227 0.000014 -0.000009 -0.000009 5C 2dz2 -0.000069 0.000081 -0.000067 0.000098 0.000043 0.000091 5C 2dxz -0.000125 0.000018 0.002334 0.000107 0.000061 0.000005 5C 2dyz -0.000098 0.000041 0.001000 0.000070 0.000151 0.000075 5C 2dx2y2 0.000123 -0.000498 -0.000502 -0.000160 0.000007 -0.000097 5C 2dxy 0.000081 0.000153 -0.002972 -0.000038 -0.000075 0.000115 5C 1f0 -0.000017 0.000006 0.000194 0.000017 0.000024 -0.000006 5C 1f+1 -0.000013 0.000058 -0.000082 0.000017 -0.000003 0.000025 5C 1f-1 -0.000005 -0.000000 0.000098 -0.000001 0.000004 -0.000006 5C 1f+2 -0.000008 -0.000011 0.000044 0.000003 -0.000005 0.000011 5C 1f-2 0.000019 0.000012 -0.000243 -0.000009 -0.000026 0.000007 5C 1f+3 -0.000016 0.000043 -0.000024 0.000009 -0.000002 0.000023 5C 1f-3 0.000013 -0.000030 0.000031 -0.000024 -0.000016 -0.000014 6C 1s -0.000033 -0.000001 0.000001 0.000033 -0.000001 -0.000001 6C 2s 0.000188 0.000005 -0.000008 -0.000189 0.000006 0.000006 6C 3s 0.000067 0.000160 -0.000085 -0.000074 -0.000188 -0.000175 6C 4s -0.003643 -0.000856 0.000502 0.003589 0.000830 0.000766 6C 5s 0.000426 -0.002134 0.000524 0.000413 0.000401 0.000455 6C 1pz -0.000029 -0.000020 -0.000007 -0.000141 0.000000 0.000011 6C 1px 0.000293 0.000025 -0.000001 0.000234 0.000019 -0.000013 6C 1py -0.000031 0.000030 0.000008 0.000126 -0.000010 -0.000016 6C 2pz -0.000200 0.000441 -0.000192 -0.003323 0.000030 -0.000158 6C 2px 0.006401 -0.000496 0.000130 0.004370 -0.000307 0.000263 6C 2py -0.001619 -0.000465 0.000253 0.003679 0.000075 0.000181 6C 3pz -0.002603 0.000637 -0.001322 0.004575 -0.000346 -0.000297 6C 3px -0.004594 0.000221 -0.001571 -0.000492 -0.000287 -0.000137 6C 3py 0.005005 -0.001523 0.002459 -0.006388 0.000687 0.000584 6C 1dz2 0.000244 -0.000025 0.000001 -0.000091 -0.000007 -0.000005 6C 1dxz 0.000022 -0.000006 0.000001 -0.000241 -0.000010 -0.000012 6C 1dyz 0.000056 0.000027 0.000008 -0.000251 0.000006 0.000006 6C 1dx2y2 -0.000312 -0.000023 0.000003 0.000062 0.000016 0.000015 6C 1dxy 0.000193 -0.000025 0.000001 0.000227 0.000010 0.000008 6C 2dz2 0.001474 0.000207 -0.000093 0.000073 -0.000092 -0.000039 6C 2dxz 0.000042 0.000339 -0.000259 -0.002324 -0.000008 -0.000061 6C 2dyz -0.000984 0.000086 -0.000135 -0.000994 -0.000081 -0.000147 6C 2dx2y2 -0.003031 -0.000023 0.000191 0.000493 0.000097 -0.000011 6C 2dxy 0.001355 -0.000206 0.000231 0.002965 -0.000111 0.000080 6C 1f0 0.000052 -0.000027 0.000030 0.000193 -0.000005 0.000024 6C 1f+1 -0.000182 0.000005 0.000012 -0.000082 0.000025 -0.000004 6C 1f-1 0.000092 0.000008 0.000005 0.000098 -0.000005 0.000004 6C 1f+2 -0.000046 -0.000006 0.000006 0.000043 0.000011 -0.000006 6C 1f-2 -0.000214 0.000051 -0.000024 -0.000242 0.000006 -0.000026 6C 1f+3 -0.000066 -0.000020 0.000007 -0.000024 0.000023 -0.000003 6C 1f-3 0.000119 0.000044 -0.000022 0.000032 -0.000015 -0.000016 7C 1s -0.000000 -0.000033 -0.000001 0.000001 0.000001 0.000001 7C 2s 0.000002 0.000190 0.000004 -0.000005 -0.000003 -0.000004 7C 3s 0.000146 0.000103 0.000171 -0.000142 0.000113 0.000111 7C 4s -0.000722 -0.003771 -0.000926 0.000783 -0.000518 -0.000489 7C 5s -0.002055 -0.000596 -0.002112 0.002283 -0.000219 -0.000251 7C 1pz -0.000013 0.000166 -0.000010 0.000038 -0.000002 -0.000007 7C 1px -0.000034 -0.000254 -0.000042 -0.000029 -0.000010 0.000009 7C 1py -0.000023 0.000009 -0.000017 0.000013 -0.000010 -0.000005 7C 2pz 0.000114 0.004505 0.000088 -0.000717 0.000001 0.000089 7C 2px 0.000816 -0.004930 0.000894 0.000699 0.000191 -0.000162 7C 2py 0.000344 0.000859 0.000418 -0.000134 0.000108 0.000027 7C 3pz 0.001172 -0.006759 0.001528 -0.001227 0.000346 0.000299 7C 3px 0.000376 0.001791 0.000777 0.000131 0.000074 0.000014 7C 3py 0.001215 -0.003532 0.000869 -0.001068 0.000358 0.000321 7C 1dz2 -0.000014 -0.000073 0.000050 0.000033 0.000009 0.000008 7C 1dxz -0.000024 0.000344 -0.000005 -0.000010 0.000005 0.000008 7C 1dyz 0.000019 -0.000115 -0.000020 -0.000010 0.000003 0.000006 7C 1dx2y2 -0.000024 -0.000219 0.000008 0.000034 -0.000008 -0.000006 7C 1dxy -0.000027 0.000021 -0.000012 -0.000015 -0.000001 -0.000004 7C 2dz2 0.000328 -0.000345 0.000059 -0.000111 0.000011 -0.000047 7C 2dxz -0.000006 0.003493 -0.000098 -0.000460 -0.000015 0.000054 7C 2dyz -0.000101 0.000364 0.000069 0.000067 -0.000038 -0.000075 7C 2dx2y2 -0.000155 -0.001590 -0.000360 0.000130 -0.000050 -0.000052 7C 2dxy -0.000217 0.001181 -0.000308 -0.000034 -0.000102 0.000025 7C 1f0 -0.000014 0.000008 -0.000014 0.000024 -0.000001 -0.000010 7C 1f+1 -0.000028 -0.000124 -0.000044 0.000029 -0.000012 -0.000007 7C 1f-1 -0.000019 0.000176 -0.000013 -0.000012 -0.000004 0.000006 7C 1f+2 -0.000001 0.000152 0.000021 -0.000042 -0.000005 0.000016 7C 1f-2 0.000003 -0.000169 0.000032 0.000032 0.000005 -0.000007 7C 1f+3 0.000001 0.000118 -0.000031 -0.000036 -0.000005 0.000011 7C 1f-3 -0.000062 0.000103 -0.000044 0.000023 -0.000019 -0.000000 8C 1s -0.000013 0.000001 -0.000001 0.000012 -0.000000 -0.000001 8C 2s 0.000063 -0.000004 0.000005 -0.000058 0.000002 0.000003 8C 3s -0.000307 0.000064 -0.000050 0.000245 0.000006 -0.000008 8C 4s -0.000908 -0.000386 0.000290 0.001242 -0.000074 -0.000014 8C 5s 0.005998 -0.000152 0.002538 -0.007522 0.000503 0.000219 8C 1pz 0.000037 0.000006 0.000008 -0.000044 0.000004 0.000003 8C 1px 0.000074 0.000005 0.000006 -0.000070 -0.000001 -0.000000 8C 1py -0.000133 0.000007 -0.000012 0.000134 0.000002 0.000001 8C 2pz 0.000670 -0.000052 -0.000145 -0.000814 0.000007 0.000007 8C 2px 0.000209 -0.000030 -0.000038 0.000280 0.000019 0.000034 8C 2py -0.000554 -0.000159 0.000188 0.000714 -0.000073 -0.000054 8C 3pz -0.000820 0.000172 -0.000405 0.000361 -0.000068 -0.000008 8C 3px 0.000193 0.000093 -0.000110 0.001517 0.000025 -0.000108 8C 3py 0.001495 0.000092 0.000607 -0.001362 0.000104 0.000028 8C 1dz2 0.000031 0.000009 -0.000001 -0.000046 -0.000003 -0.000000 8C 1dxz 0.000000 -0.000004 0.000000 -0.000001 -0.000001 -0.000000 8C 1dyz 0.000065 0.000001 -0.000006 -0.000047 0.000001 -0.000001 8C 1dx2y2 0.000021 0.000006 -0.000002 0.000020 0.000002 -0.000004 8C 1dxy -0.000002 -0.000003 -0.000002 -0.000057 -0.000004 0.000004 8C 2dz2 -0.000117 0.000021 0.000015 0.000234 0.000024 0.000015 8C 2dxz -0.000456 0.000005 0.000025 0.000333 0.000003 0.000001 8C 2dyz -0.000190 -0.000005 -0.000015 -0.000039 0.000035 0.000030 8C 2dx2y2 0.000388 0.000011 -0.000065 -0.000662 0.000004 0.000022 8C 2dxy 0.000473 -0.000003 -0.000022 -0.000050 0.000023 -0.000001 8C 1f0 0.000016 0.000003 -0.000004 -0.000006 -0.000001 -0.000002 8C 1f+1 0.000027 -0.000001 -0.000004 -0.000035 -0.000002 -0.000000 8C 1f-1 0.000006 0.000014 -0.000001 -0.000021 0.000001 0.000001 8C 1f+2 -0.000005 0.000001 -0.000004 -0.000021 -0.000002 -0.000001 8C 1f-2 -0.000036 -0.000003 0.000003 0.000061 -0.000001 0.000001 8C 1f+3 0.000061 0.000009 -0.000004 -0.000098 0.000001 -0.000002 8C 1f-3 -0.000073 -0.000009 0.000008 0.000044 0.000001 -0.000001 9C 1s 0.000000 -0.000012 0.000000 -0.000001 0.000000 0.000000 9C 2s -0.000002 0.000057 -0.000002 0.000005 -0.000001 -0.000001 9C 3s 0.000033 -0.000235 0.000031 -0.000095 -0.000005 -0.000000 9C 4s -0.000253 -0.001297 -0.000242 0.000559 0.000041 0.000039 9C 5s -0.000427 0.007618 -0.000610 -0.000162 -0.000365 -0.000196 9C 1pz -0.000002 0.000120 -0.000007 -0.000002 -0.000002 -0.000000 9C 1px 0.000000 0.000067 -0.000007 -0.000005 0.000000 -0.000000 9C 1py -0.000006 0.000079 0.000004 0.000008 0.000003 0.000002 9C 2pz 0.000060 0.000901 0.000153 -0.000087 -0.000020 -0.000052 9C 2px -0.000001 -0.000613 0.000100 0.000041 -0.000009 -0.000022 9C 2py 0.000154 0.000474 -0.000027 -0.000213 -0.000041 -0.000035 9C 3pz 0.000111 -0.001158 0.000025 -0.000087 0.000072 0.000057 9C 3px 0.000033 -0.001409 -0.000156 -0.000114 -0.000004 0.000060 9C 3py -0.000106 -0.001055 0.000174 0.000173 0.000025 -0.000011 9C 1dz2 0.000004 0.000000 -0.000008 -0.000003 0.000004 0.000001 9C 1dxz -0.000003 -0.000026 -0.000005 0.000003 -0.000000 0.000003 9C 1dyz -0.000006 -0.000060 -0.000000 0.000010 -0.000002 -0.000000 9C 1dx2y2 0.000011 -0.000033 -0.000001 -0.000008 0.000001 0.000002 9C 1dxy 0.000003 -0.000054 -0.000003 -0.000010 -0.000002 0.000002 9C 2dz2 0.000000 -0.000420 -0.000031 0.000013 -0.000005 0.000003 9C 2dxz -0.000013 -0.000225 0.000006 0.000014 -0.000005 -0.000012 9C 2dyz -0.000026 -0.000092 -0.000006 0.000031 0.000034 0.000036 9C 2dx2y2 0.000003 0.000588 -0.000011 -0.000019 -0.000004 -0.000019 9C 2dxy 0.000006 0.000268 -0.000015 -0.000009 0.000007 0.000007 9C 1f0 -0.000004 0.000007 0.000014 0.000006 0.000002 0.000004 9C 1f+1 -0.000004 0.000105 0.000012 -0.000002 0.000002 0.000000 9C 1f-1 -0.000001 0.000015 0.000001 -0.000004 -0.000000 -0.000003 9C 1f+2 -0.000008 -0.000035 0.000004 0.000013 0.000002 0.000001 9C 1f-2 -0.000004 0.000041 -0.000007 -0.000007 -0.000001 0.000002 9C 1f+3 0.000003 0.000024 -0.000002 0.000000 -0.000002 0.000001 9C 1f-3 0.000009 0.000053 0.000001 -0.000007 -0.000001 -0.000002 10H 1s 0.000007 -0.000003 0.000006 -0.000016 -0.000000 -0.000001 10H 2s -0.000028 0.000028 -0.000033 0.000024 0.000005 0.000017 10H 3s -0.000087 -0.000080 -0.000079 0.000013 -0.000024 -0.000033 10H 1pz 0.000001 0.000008 -0.000002 -0.000003 -0.000000 0.000001 10H 1px -0.000007 -0.000003 -0.000005 0.000006 0.000000 -0.000000 10H 1py -0.000002 0.000007 -0.000001 -0.000004 0.000001 0.000001 11H 1s 0.000008 -0.000003 0.000009 0.000005 -0.000004 -0.000000 11H 2s -0.000050 0.000016 0.000064 0.000071 -0.000021 -0.000010 11H 3s 0.000068 -0.000140 -0.000214 -0.000120 0.000034 -0.000037 11H 1pz -0.000004 0.000010 0.000026 0.000015 -0.000001 0.000001 11H 1px -0.000006 0.000001 0.000017 0.000010 -0.000005 -0.000002 11H 1py -0.000000 0.000000 -0.000004 -0.000004 0.000006 0.000001 12H 1s 0.000010 -0.000002 0.000014 -0.000007 -0.000002 -0.000001 12H 2s 0.000038 0.000038 -0.000077 0.000019 0.000013 -0.000016 12H 3s -0.000130 -0.000131 0.000030 -0.000004 -0.000020 -0.000016 12H 1pz 0.000006 0.000006 -0.000001 -0.000004 0.000000 0.000001 12H 1px 0.000009 0.000002 -0.000004 -0.000001 -0.000000 -0.000003 12H 1py 0.000024 0.000012 -0.000008 -0.000008 0.000001 -0.000003 13H 1s 0.000003 0.000015 -0.000063 0.000004 0.000001 0.000003 13H 2s -0.000001 -0.000104 -0.000531 -0.000015 -0.000021 -0.000036 13H 3s -0.000148 0.000054 -0.000787 0.000126 0.000043 0.000012 13H 1pz 0.000002 -0.000011 -0.000086 -0.000008 -0.000004 -0.000004 13H 1px 0.000004 0.000005 0.000005 0.000000 0.000001 -0.000001 13H 1py -0.000008 0.000006 0.000024 0.000006 0.000002 0.000004 14H 1s 0.000001 -0.000001 -0.000009 0.000001 0.000007 0.000001 14H 2s -0.000044 -0.000064 0.000011 -0.000035 -0.000022 -0.000010 14H 3s -0.000176 0.000013 -0.000411 0.000149 -0.000035 0.000058 14H 1pz -0.000001 -0.000008 -0.000051 -0.000008 -0.000004 -0.000005 14H 1px -0.000004 -0.000009 0.000058 -0.000008 0.000001 -0.000001 14H 1py -0.000001 0.000003 -0.000025 0.000007 0.000005 0.000000 15H 1s 0.000002 0.000008 0.000042 0.000003 0.000008 0.000005 15H 2s -0.000064 0.000023 0.000333 -0.000007 -0.000008 0.000013 15H 3s -0.000180 -0.000087 -0.000449 0.000161 -0.000022 0.000014 15H 1pz 0.000006 -0.000002 -0.000022 -0.000002 -0.000003 -0.000003 15H 1px -0.000001 0.000005 0.000069 -0.000000 0.000001 0.000002 15H 1py 0.000008 -0.000017 -0.000048 0.000008 0.000001 -0.000001 16H 1s -0.000005 0.000001 -0.000002 -0.000004 0.000002 0.000002 16H 2s 0.000020 -0.000211 -0.000008 -0.000060 -0.000032 -0.000050 16H 3s -0.000018 0.000022 -0.000005 0.000007 0.000008 0.000002 16H 1pz 0.000002 -0.000048 -0.000004 -0.000002 -0.000006 -0.000007 16H 1px -0.000000 -0.000011 -0.000004 0.000000 -0.000002 -0.000008 16H 1py -0.000001 -0.000014 0.000006 0.000008 -0.000000 0.000003 17H 1s -0.000001 0.000005 0.000005 0.000013 0.000002 0.000003 17H 2s 0.000021 -0.000128 -0.000077 -0.000290 -0.000040 -0.000051 17H 3s -0.000094 -0.000063 -0.000020 0.000240 0.000013 0.000005 17H 1pz -0.000003 0.000032 0.000008 0.000059 0.000008 0.000011 17H 1px 0.000003 0.000047 0.000010 0.000029 0.000002 -0.000006 17H 1py 0.000001 -0.000025 -0.000003 -0.000036 -0.000002 0.000003 18H 1s -0.000001 -0.000003 -0.000013 -0.000004 -0.000003 -0.000002 18H 2s -0.000135 0.000000 0.000278 0.000057 0.000052 0.000036 18H 3s 0.000038 -0.000023 -0.000237 0.000036 -0.000006 -0.000012 18H 1pz -0.000035 -0.000000 0.000058 0.000004 0.000011 0.000007 18H 1px -0.000007 0.000002 0.000026 0.000008 -0.000006 0.000003 18H 1py 0.000008 0.000001 -0.000033 -0.000000 0.000003 -0.000002 19H 1s 0.000008 -0.000000 0.000004 0.000002 -0.000003 -0.000002 19H 2s -0.000084 0.000019 0.000046 0.000005 0.000051 0.000029 19H 3s -0.000030 -0.000104 -0.000010 0.000006 -0.000003 -0.000008 19H 1pz 0.000038 0.000002 0.000003 -0.000004 -0.000007 -0.000006 19H 1px -0.000005 -0.000005 -0.000002 -0.000004 -0.000008 -0.000002 19H 1py 0.000016 -0.000002 0.000009 0.000005 0.000003 -0.000000 20H 1s 0.000045 0.000003 -0.000005 -0.000041 -0.000005 -0.000007 20H 2s 0.000419 -0.000046 -0.000014 -0.000331 -0.000013 0.000009 20H 3s -0.000388 0.000082 -0.000130 0.000460 -0.000014 0.000023 20H 1pz 0.000016 -0.000003 -0.000003 -0.000022 -0.000004 -0.000003 20H 1px -0.000054 0.000006 0.000004 0.000070 0.000002 0.000001 20H 1py 0.000073 -0.000006 0.000005 -0.000048 -0.000001 0.000001 21H 1s -0.000018 0.000009 -0.000001 0.000008 -0.000001 -0.000007 21H 2s 0.000049 0.000038 0.000033 -0.000021 0.000011 0.000022 21H 3s -0.000505 -0.000114 -0.000121 0.000423 -0.000057 0.000038 21H 1pz 0.000052 -0.000017 -0.000011 -0.000049 -0.000005 -0.000004 21H 1px -0.000072 -0.000019 -0.000004 0.000061 -0.000001 0.000001 21H 1py 0.000040 0.000006 0.000006 -0.000025 0.000000 0.000005 22H 1s -0.000061 0.000008 0.000000 0.000063 -0.000003 -0.000001 22H 2s -0.000573 -0.000010 0.000051 0.000535 0.000037 0.000020 22H 3s -0.000121 -0.000069 -0.000075 0.000798 -0.000014 -0.000043 22H 1pz 0.000102 -0.000005 -0.000013 -0.000085 -0.000005 -0.000003 22H 1px -0.000038 0.000007 0.000001 0.000006 -0.000001 0.000001 22H 1py -0.000032 0.000002 0.000008 0.000025 0.000004 0.000001 23H 1s -0.000002 0.000006 0.000006 -0.000014 0.000001 0.000002 23H 2s -0.000061 0.000133 -0.000014 0.000076 0.000015 -0.000014 23H 3s 0.000052 -0.000461 0.000002 -0.000030 0.000017 0.000018 23H 1pz 0.000002 -0.000011 -0.000004 -0.000001 0.000001 0.000000 23H 1px 0.000007 -0.000090 -0.000001 -0.000004 -0.000003 -0.000000 23H 1py 0.000011 -0.000012 -0.000008 -0.000007 -0.000003 0.000001 24H 1s 0.000006 0.000034 -0.000006 -0.000008 0.000001 0.000004 24H 2s -0.000001 0.000294 -0.000077 -0.000059 0.000010 0.000020 24H 3s -0.000029 -0.000459 0.000131 0.000202 0.000036 -0.000037 24H 1pz -0.000012 -0.000025 0.000016 0.000025 0.000001 -0.000001 24H 1px -0.000004 -0.000087 0.000012 0.000016 -0.000002 -0.000005 24H 1py -0.000001 -0.000022 -0.000004 -0.000003 0.000001 0.000005 25H 1s 0.000016 -0.000068 0.000016 -0.000007 0.000001 0.000000 25H 2s -0.000074 -0.000621 -0.000023 0.000034 -0.000017 -0.000004 25H 3s 0.000074 -0.000836 -0.000006 0.000080 0.000033 0.000023 25H 1pz 0.000005 0.000061 -0.000003 -0.000001 0.000001 -0.000000 25H 1px -0.000005 -0.000050 0.000005 -0.000006 -0.000000 0.000000 25H 1py 0.000003 0.000060 -0.000003 -0.000001 0.000001 0.000001 26O 1s -0.000043 -0.000125 -0.000027 0.000142 0.000000 0.000000 26O 2s -0.000066 -0.000191 -0.000043 0.000221 -0.000001 -0.000005 26O 3s 0.000019 0.000053 0.000026 -0.000029 0.000006 0.000042 26O 4s -0.000145 -0.000211 -0.000160 0.000038 -0.000000 -0.000063 26O 5s 0.000969 -0.000602 0.000745 -0.002550 -0.000140 -0.000467 26O 1pz -0.000010 0.000002 -0.000005 -0.000009 0.000001 0.000016 26O 1px 0.000004 0.000007 0.000005 -0.000035 0.000001 0.000000 26O 1py 0.000002 0.000005 -0.000008 -0.000029 -0.000002 -0.000005 26O 2pz 0.000040 0.000000 0.000006 0.000075 -0.000011 -0.000012 26O 2px -0.000009 0.000030 -0.000007 0.000366 -0.000001 0.000076 26O 2py -0.000025 0.000009 0.000054 0.000243 0.000011 0.000071 26O 3pz 0.000056 0.000357 0.000130 0.000075 0.000036 -0.000028 26O 3px -0.000137 0.000693 0.000005 0.001176 0.000116 0.000306 26O 3py -0.000041 0.000484 0.000074 0.000098 -0.000004 -0.000106 26O 1dz2 0.000002 -0.000006 -0.000009 -0.000009 -0.000003 0.000013 26O 1dxz 0.000003 -0.000000 -0.000003 -0.000012 -0.000001 0.000004 26O 1dyz -0.000005 -0.000003 0.000000 -0.000002 0.000000 0.000017 26O 1dx2y2 0.000007 0.000006 -0.000001 0.000002 -0.000000 0.000004 26O 1dxy 0.000001 0.000004 0.000004 0.000008 0.000002 0.000003 26O 2dz2 -0.000001 0.000037 0.000040 0.000101 0.000011 -0.000026 26O 2dxz -0.000013 -0.000006 0.000020 0.000037 0.000007 -0.000019 26O 2dyz 0.000025 0.000009 0.000013 -0.000002 0.000000 -0.000062 26O 2dx2y2 -0.000033 -0.000037 0.000010 -0.000068 -0.000003 -0.000032 26O 2dxy 0.000016 -0.000035 -0.000029 -0.000109 -0.000008 -0.000029 26O 1f0 -0.000007 -0.000002 0.000002 -0.000001 0.000002 -0.000009 26O 1f+1 -0.000001 0.000000 -0.000001 -0.000007 -0.000002 -0.000007 26O 1f-1 0.000005 -0.000004 0.000003 -0.000002 -0.000000 -0.000016 26O 1f+2 0.000002 0.000002 0.000001 0.000003 -0.000000 0.000005 26O 1f-2 0.000002 0.000002 0.000003 0.000003 -0.000002 -0.000006 26O 1f+3 -0.000002 0.000001 0.000008 -0.000000 -0.000002 -0.000005 26O 1f-3 0.000002 -0.000002 -0.000006 -0.000016 -0.000001 -0.000002 27O 1s -0.018544 -0.010788 0.000375 0.000252 -0.000000 -0.000000 27O 2s -0.027248 -0.015862 0.000582 0.000376 0.000001 0.000008 27O 3s -0.001333 -0.000753 -0.000076 -0.000035 -0.000006 -0.000063 27O 4s 0.000999 0.000544 -0.000252 0.000197 -0.000008 0.000082 27O 5s -0.001805 0.002048 -0.002588 0.000615 0.000198 0.000763 27O 1pz -0.000008 -0.000011 0.000006 -0.000001 -0.000001 -0.000018 27O 1px 0.000064 0.000080 0.000007 -0.000009 -0.000001 0.000003 27O 1py -0.000008 -0.000023 -0.000019 0.000002 -0.000002 0.000011 27O 2pz 0.000010 0.000034 -0.000149 0.000009 0.000010 0.000029 27O 2px -0.000069 -0.000505 0.000566 -0.000039 -0.000001 -0.000153 27O 2py 0.000009 0.000185 0.000092 0.000006 0.000002 0.000049 27O 3pz -0.000411 -0.000087 -0.001358 -0.000130 -0.000019 0.000089 27O 3px 0.000111 -0.000972 0.000388 -0.000723 -0.000144 -0.000355 27O 3py 0.000558 -0.000129 0.001725 0.000341 0.000011 -0.000211 27O 1dz2 0.000003 0.000008 0.000029 0.000003 0.000002 0.000007 27O 1dxz 0.000003 0.000014 -0.000007 0.000002 0.000001 -0.000007 27O 1dyz -0.000017 -0.000005 0.000039 -0.000004 -0.000002 0.000032 27O 1dx2y2 -0.000019 -0.000010 -0.000011 -0.000007 -0.000002 0.000009 27O 1dxy -0.000001 0.000003 0.000033 0.000000 0.000002 0.000012 27O 2dz2 -0.000008 -0.000097 -0.000050 -0.000024 -0.000008 -0.000050 27O 2dxz -0.000017 -0.000079 0.000115 -0.000009 -0.000010 0.000019 27O 2dyz 0.000070 0.000029 -0.000156 0.000019 0.000006 -0.000105 27O 2dx2y2 0.000072 0.000125 -0.000104 0.000049 0.000013 0.000009 27O 2dxy 0.000016 -0.000054 -0.000177 -0.000011 -0.000001 -0.000056 27O 1f0 0.000004 -0.000001 -0.000002 -0.000001 -0.000002 -0.000014 27O 1f+1 0.000005 0.000009 0.000020 -0.000000 0.000000 0.000005 27O 1f-1 0.000001 -0.000001 -0.000013 -0.000001 0.000002 -0.000008 27O 1f+2 0.000008 0.000005 0.000025 -0.000005 0.000002 -0.000017 27O 1f-2 0.000004 -0.000000 0.000070 -0.000002 -0.000001 -0.000015 27O 1f+3 0.000002 0.000012 -0.000016 0.000001 0.000004 0.000018 27O 1f-3 -0.000001 -0.000013 -0.000003 -0.000003 0.000003 -0.000005 28O 1s -0.006906 -0.002562 -0.000440 0.000089 0.000000 0.000000 28O 2s -0.010159 -0.003771 -0.000659 0.000134 -0.000005 -0.000000 28O 3s -0.000469 -0.000138 0.000008 -0.000015 0.000038 0.000001 28O 4s 0.000346 0.000064 -0.000015 0.000120 -0.000050 0.000006 28O 5s 0.002231 -0.001364 0.002423 -0.000968 -0.000429 -0.000119 28O 1pz 0.000044 0.000011 0.000040 0.000004 0.000013 0.000000 28O 1px -0.000055 0.000002 -0.000027 0.000008 0.000010 0.000000 28O 1py 0.000013 0.000008 0.000006 0.000001 -0.000003 -0.000002 28O 2pz -0.000344 0.000047 -0.000347 -0.000013 0.000036 -0.000007 28O 2px 0.000379 -0.000093 0.000291 -0.000046 -0.000084 -0.000005 28O 2py -0.000114 -0.000009 -0.000048 0.000018 0.000043 0.000009 28O 3pz -0.000561 -0.000311 -0.000309 -0.000035 0.000105 0.000085 28O 3px 0.000743 -0.000367 0.000994 -0.000181 -0.000175 -0.000042 28O 3py 0.000291 -0.000321 -0.000171 -0.000064 -0.000214 -0.000021 28O 1dz2 0.000012 0.000008 -0.000003 -0.000006 0.000014 -0.000002 28O 1dxz 0.000008 0.000008 0.000007 0.000002 0.000003 -0.000002 28O 1dyz -0.000002 0.000016 0.000009 0.000006 0.000015 -0.000000 28O 1dx2y2 -0.000009 -0.000005 -0.000010 -0.000006 0.000001 0.000000 28O 1dxy 0.000004 0.000006 -0.000009 -0.000000 0.000009 -0.000002 28O 2dz2 -0.000048 -0.000040 0.000031 0.000022 -0.000047 0.000011 28O 2dxz -0.000134 -0.000009 -0.000122 -0.000009 0.000016 0.000009 28O 2dyz 0.000026 -0.000071 -0.000033 -0.000039 -0.000053 0.000001 28O 2dx2y2 0.000095 0.000010 0.000102 0.000011 -0.000017 -0.000004 28O 2dxy -0.000034 -0.000018 0.000026 0.000012 -0.000029 0.000006 28O 1f0 0.000004 0.000000 0.000007 -0.000000 -0.000007 -0.000001 28O 1f+1 0.000007 -0.000001 0.000012 0.000009 -0.000008 0.000002 28O 1f-1 -0.000003 -0.000009 -0.000003 -0.000003 -0.000017 0.000000 28O 1f+2 -0.000013 0.000003 -0.000010 0.000003 0.000006 0.000001 28O 1f-2 0.000004 -0.000004 0.000000 -0.000004 -0.000005 0.000002 28O 1f+3 -0.000008 -0.000003 -0.000004 -0.000000 0.000001 0.000001 28O 1f-3 0.000006 -0.000001 0.000001 -0.000002 0.000002 0.000000 29O 1s -0.000005 0.000011 -0.000005 0.000003 0.000000 0.000000 29O 2s -0.000009 0.000021 -0.000009 0.000002 -0.000000 -0.000001 29O 3s 0.000004 -0.000077 0.000007 0.000021 0.000001 0.000011 29O 4s -0.000016 0.000338 -0.000050 -0.000225 -0.000010 -0.000043 29O 5s 0.000043 -0.000524 0.000211 0.001012 0.000075 0.000142 29O 1pz 0.000001 0.000011 0.000000 -0.000012 0.000001 0.000001 29O 1px 0.000005 -0.000020 0.000003 0.000005 -0.000001 -0.000002 29O 1py -0.000001 -0.000000 -0.000000 0.000015 -0.000001 -0.000004 29O 2pz -0.000002 -0.000024 0.000002 0.000061 -0.000004 -0.000007 29O 2px -0.000021 0.000085 -0.000003 0.000040 0.000010 0.000008 29O 2py 0.000004 -0.000028 0.000000 -0.000066 0.000002 0.000017 29O 3pz 0.000013 -0.000340 0.000061 0.000224 0.000005 0.000002 29O 3px 0.000031 0.000232 -0.000007 -0.000273 -0.000005 0.000005 29O 3py 0.000008 -0.000221 -0.000090 -0.000296 -0.000064 -0.000133 29O 1dz2 -0.000000 -0.000000 -0.000001 -0.000002 -0.000000 -0.000000 29O 1dxz -0.000001 -0.000021 0.000002 0.000010 -0.000000 -0.000001 29O 1dyz -0.000002 -0.000004 0.000002 0.000006 0.000001 0.000001 29O 1dx2y2 -0.000002 0.000009 0.000001 -0.000003 0.000000 0.000001 29O 1dxy 0.000002 -0.000009 -0.000004 -0.000013 -0.000001 -0.000001 29O 2dz2 -0.000001 0.000019 0.000002 0.000003 0.000002 0.000000 29O 2dxz 0.000001 0.000086 -0.000004 -0.000017 0.000002 0.000001 29O 2dyz 0.000006 0.000014 -0.000010 -0.000042 -0.000002 -0.000001 29O 2dx2y2 0.000006 -0.000036 -0.000001 0.000015 -0.000002 -0.000005 29O 2dxy -0.000005 0.000012 0.000007 0.000023 -0.000000 0.000004 29O 1f0 0.000000 -0.000004 -0.000000 -0.000004 -0.000001 -0.000000 29O 1f+1 0.000001 0.000007 0.000000 -0.000001 0.000000 0.000000 29O 1f-1 0.000000 -0.000007 -0.000001 0.000000 -0.000001 0.000000 29O 1f+2 -0.000000 -0.000002 0.000002 0.000007 0.000001 0.000001 29O 1f-2 -0.000001 -0.000002 -0.000001 -0.000006 -0.000001 0.000000 29O 1f+3 0.000001 0.000004 0.000001 0.000003 0.000001 0.000001 29O 1f-3 -0.000001 0.000002 0.000003 0.000009 0.000000 0.000001 30O 1s 0.000263 0.000079 -0.435417 0.014192 -0.000000 -0.000000 30O 2s 0.000381 0.000114 -0.639669 0.020856 0.000009 0.000000 30O 3s 0.000078 0.000024 -0.032451 0.001006 -0.000067 -0.000006 30O 4s -0.000243 -0.000139 0.025131 -0.000745 0.000088 -0.000002 30O 5s -0.000764 0.000814 -0.011829 0.001849 0.000759 0.000215 30O 1pz 0.000003 -0.000005 0.000625 -0.000023 -0.000013 -0.000000 30O 1px -0.000002 -0.000008 -0.001451 0.000032 -0.000015 0.000000 30O 1py -0.000006 0.000001 -0.000518 0.000025 0.000009 -0.000002 30O 2pz 0.000030 0.000037 -0.002044 0.000010 -0.000053 0.000006 30O 2px -0.000058 0.000022 0.003690 0.000007 0.000114 0.000007 30O 2py -0.000021 0.000006 0.001962 -0.000012 0.000093 0.000001 30O 3pz 0.000522 0.000023 -0.001153 0.000148 -0.000170 -0.000102 30O 3px -0.000457 0.000121 -0.000868 0.000524 0.000415 0.000101 30O 3py -0.000658 -0.000059 0.001830 -0.000380 -0.000060 0.000074 30O 1dz2 -0.000001 0.000007 0.000005 0.000005 0.000006 0.000001 30O 1dxz -0.000006 -0.000001 0.000154 -0.000011 -0.000006 0.000002 30O 1dyz 0.000001 -0.000002 0.000088 0.000010 0.000031 -0.000001 30O 1dx2y2 0.000004 0.000006 -0.000030 0.000008 0.000008 -0.000000 30O 1dxy 0.000008 0.000004 -0.000189 0.000018 0.000016 -0.000004 30O 2dz2 0.000008 -0.000038 -0.000127 -0.000018 -0.000030 -0.000007 30O 2dxz 0.000044 0.000020 -0.000852 0.000035 -0.000014 -0.000011 30O 2dyz 0.000011 -0.000003 -0.000521 -0.000054 -0.000123 0.000005 30O 2dx2y2 -0.000024 -0.000027 0.000250 -0.000035 -0.000015 0.000009 30O 2dxy -0.000055 -0.000010 0.000965 -0.000056 -0.000024 0.000014 30O 1f0 0.000002 -0.000002 0.000074 -0.000008 -0.000012 0.000001 30O 1f+1 -0.000001 -0.000010 0.000017 -0.000000 0.000003 -0.000001 30O 1f-1 0.000000 -0.000001 0.000012 -0.000002 -0.000007 -0.000001 30O 1f+2 0.000001 -0.000003 -0.000043 -0.000004 -0.000019 -0.000003 30O 1f-2 0.000004 0.000002 -0.000118 -0.000002 -0.000020 0.000001 30O 1f+3 -0.000005 0.000001 0.000023 0.000005 0.000012 -0.000003 30O 1f-3 0.000001 -0.000002 -0.000092 0.000002 -0.000008 -0.000003 31O 1s -0.000362 0.000491 0.014193 0.435416 0.000000 0.000000 31O 2s -0.000502 0.000708 0.020845 0.639669 -0.000001 -0.000009 31O 3s -0.000121 0.000085 0.001110 0.032448 0.000009 0.000067 31O 4s -0.000219 -0.000094 -0.000893 -0.025129 -0.000002 -0.000088 31O 5s -0.002731 0.002285 -0.001073 0.011930 -0.000250 -0.000749 31O 1pz -0.000007 -0.000029 0.000018 0.000626 -0.000001 -0.000013 31O 1px -0.000003 0.000020 -0.000063 -0.001450 -0.000000 -0.000015 31O 1py 0.000018 0.000025 -0.000009 -0.000518 -0.000001 0.000009 31O 2pz -0.000215 0.000258 -0.000123 -0.002042 0.000003 -0.000053 31O 2px 0.000536 -0.000234 0.000247 0.003682 0.000012 0.000114 31O 2py 0.000130 -0.000232 0.000115 0.001957 0.000006 0.000093 31O 3pz 0.000575 0.000127 0.000070 -0.001161 -0.000110 -0.000166 31O 3px 0.001565 -0.000814 0.000467 -0.000901 0.000120 0.000411 31O 3py -0.001201 -0.000467 -0.000258 0.001853 0.000072 -0.000063 31O 1dz2 0.000018 -0.000006 -0.000005 -0.000005 -0.000001 -0.000006 31O 1dxz 0.000012 0.000008 0.000001 -0.000155 -0.000002 0.000006 31O 1dyz 0.000053 0.000002 -0.000015 -0.000087 -0.000000 -0.000031 31O 1dx2y2 0.000007 -0.000012 -0.000006 0.000031 -0.000000 -0.000008 31O 1dxy -0.000000 0.000001 -0.000005 0.000190 0.000003 -0.000017 31O 2dz2 -0.000016 0.000020 0.000027 0.000125 0.000009 0.000030 31O 2dxz 0.000054 -0.000097 0.000021 0.000853 0.000012 0.000013 31O 2dyz -0.000190 -0.000056 0.000088 0.000516 0.000000 0.000123 31O 2dx2y2 -0.000154 0.000076 0.000019 -0.000252 -0.000008 0.000016 31O 2dxy -0.000074 0.000061 -0.000007 -0.000967 -0.000013 0.000025 31O 1f0 -0.000040 -0.000010 -0.000003 0.000074 0.000001 -0.000012 31O 1f+1 0.000030 -0.000006 0.000001 0.000017 -0.000001 0.000003 31O 1f-1 -0.000023 -0.000001 -0.000001 0.000013 -0.000001 -0.000007 31O 1f+2 -0.000025 0.000003 -0.000006 -0.000043 -0.000004 -0.000019 31O 1f-2 0.000014 0.000010 -0.000009 -0.000117 0.000000 -0.000020 31O 1f+3 0.000035 -0.000001 0.000006 0.000023 -0.000002 0.000012 31O 1f-3 -0.000029 0.000005 -0.000004 -0.000092 -0.000003 -0.000008 32O 1s 0.000012 -0.000004 -0.000003 0.000005 -0.000000 -0.000000 32O 2s 0.000023 -0.000007 -0.000003 0.000009 0.000001 0.000000 32O 3s -0.000067 0.000001 -0.000023 -0.000006 -0.000011 -0.000001 32O 4s 0.000317 -0.000010 0.000231 0.000035 0.000043 0.000008 32O 5s -0.000629 0.000047 -0.001000 -0.000144 -0.000143 -0.000067 32O 1pz -0.000004 0.000004 -0.000013 0.000001 0.000001 0.000001 32O 1px 0.000024 -0.000004 0.000005 0.000002 -0.000002 -0.000001 32O 1py 0.000001 0.000001 0.000014 -0.000001 -0.000004 -0.000001 32O 2pz 0.000033 -0.000011 0.000064 -0.000002 -0.000007 -0.000003 32O 2px -0.000076 0.000018 0.000037 -0.000006 0.000008 0.000009 32O 2py 0.000009 -0.000004 -0.000059 0.000005 0.000017 0.000002 32O 3pz -0.000043 -0.000004 0.000230 0.000047 0.000003 0.000005 32O 3px -0.000344 -0.000042 -0.000273 0.000011 0.000004 -0.000005 32O 3py 0.000240 0.000002 -0.000293 -0.000070 -0.000135 -0.000057 32O 1dz2 -0.000008 -0.000002 0.000002 0.000001 0.000000 0.000000 32O 1dxz -0.000001 0.000003 -0.000011 -0.000001 0.000001 0.000000 32O 1dyz 0.000010 0.000002 -0.000006 -0.000002 -0.000001 -0.000001 32O 1dx2y2 0.000017 0.000001 0.000003 -0.000001 -0.000001 -0.000000 32O 1dxy -0.000008 0.000003 0.000013 0.000003 0.000001 0.000001 32O 2dz2 0.000040 0.000004 -0.000002 -0.000002 -0.000000 -0.000002 32O 2dxz 0.000012 -0.000010 0.000018 0.000002 -0.000001 -0.000002 32O 2dyz -0.000027 -0.000005 0.000043 0.000007 0.000001 0.000001 32O 2dx2y2 -0.000061 -0.000001 -0.000016 0.000001 0.000005 0.000001 32O 2dxy 0.000017 -0.000010 -0.000027 -0.000006 -0.000005 0.000000 32O 1f0 0.000004 0.000001 -0.000004 0.000000 -0.000001 -0.000001 32O 1f+1 0.000002 0.000001 -0.000001 0.000000 0.000000 0.000000 32O 1f-1 0.000002 0.000001 0.000001 -0.000001 0.000000 -0.000001 32O 1f+2 -0.000003 -0.000002 0.000007 0.000001 0.000001 0.000001 32O 1f-2 0.000001 0.000000 -0.000006 -0.000000 0.000000 -0.000001 32O 1f+3 0.000001 0.000000 0.000002 0.000001 0.000001 0.000001 32O 1f-3 -0.000004 0.000001 0.000009 0.000002 0.000001 0.000000 33O 1s 0.003045 -0.435491 -0.000067 0.000486 -0.000000 -0.000000 33O 2s 0.004471 -0.639785 -0.000101 0.000727 0.000000 0.000005 33O 3s 0.000251 -0.032513 0.000014 -0.000006 -0.000003 -0.000038 33O 4s -0.000313 0.025260 -0.000119 0.000020 -0.000003 0.000050 33O 5s 0.000991 -0.011712 0.000803 -0.002486 0.000138 0.000423 33O 1pz 0.000007 -0.000708 0.000007 0.000040 0.000001 0.000013 33O 1px -0.000005 0.001538 0.000006 -0.000028 0.000001 0.000010 33O 1py 0.000007 0.000158 0.000001 0.000006 -0.000002 -0.000003 33O 2pz -0.000012 0.002564 -0.000036 -0.000347 -0.000006 0.000036 33O 2px 0.000008 -0.003998 -0.000027 0.000295 -0.000009 -0.000084 33O 2py -0.000045 0.000032 0.000014 -0.000049 0.000011 0.000043 33O 3pz -0.000037 0.001816 -0.000056 -0.000302 0.000089 0.000100 33O 3px -0.000123 0.000489 -0.000115 0.001005 -0.000050 -0.000173 33O 3py -0.000101 0.001324 -0.000074 -0.000168 -0.000031 -0.000214 33O 1dz2 -0.000006 -0.000026 0.000006 0.000002 0.000001 -0.000014 33O 1dxz -0.000008 0.000215 -0.000002 -0.000006 0.000002 -0.000003 33O 1dyz 0.000002 -0.000004 -0.000006 -0.000008 -0.000001 -0.000015 33O 1dx2y2 -0.000001 -0.000115 0.000006 0.000010 -0.000000 -0.000001 33O 1dxy -0.000002 0.000050 0.000001 0.000009 0.000002 -0.000009 33O 2dz2 0.000029 0.000117 -0.000024 -0.000030 -0.000009 0.000047 33O 2dxz 0.000027 -0.001230 0.000017 0.000121 -0.000009 -0.000016 33O 2dyz -0.000005 0.000030 0.000041 0.000030 0.000002 0.000053 33O 2dx2y2 -0.000005 0.000692 -0.000017 -0.000101 0.000005 0.000017 33O 2dxy 0.000025 -0.000253 -0.000014 -0.000025 -0.000005 0.000029 33O 1f0 -0.000000 -0.000060 0.000000 0.000007 -0.000001 -0.000007 33O 1f+1 -0.000000 -0.000074 0.000010 0.000011 0.000002 -0.000008 33O 1f-1 -0.000006 0.000004 -0.000003 -0.000003 -0.000001 -0.000017 33O 1f+2 -0.000002 0.000128 0.000002 -0.000011 0.000002 0.000006 33O 1f-2 0.000003 -0.000018 -0.000004 0.000001 0.000002 -0.000005 33O 1f+3 0.000001 0.000067 -0.000000 -0.000004 0.000001 0.000001 33O 1f-3 0.000007 -0.000022 -0.000001 0.000001 0.000000 0.000002 34O 1s -0.435190 -0.002547 -0.000283 -0.000356 0.000000 0.000000 34O 2s -0.639333 -0.003744 -0.000424 -0.000553 -0.000008 -0.000000 34O 3s -0.032401 -0.000173 0.000039 0.000074 0.000063 0.000003 34O 4s 0.024958 0.000030 -0.000179 0.000263 -0.000082 0.000012 34O 5s -0.011658 0.000861 -0.000442 0.002613 -0.000772 -0.000163 34O 1pz 0.000362 0.000004 -0.000001 0.000006 -0.000018 0.000000 34O 1px -0.001625 -0.000014 -0.000008 0.000008 0.000003 -0.000001 34O 1py -0.000041 -0.000010 0.000001 -0.000019 0.000011 -0.000002 34O 2pz -0.000591 0.000007 -0.000001 -0.000150 0.000030 0.000008 34O 2px 0.004554 0.000061 -0.000002 0.000565 -0.000153 0.000006 34O 2py -0.000471 0.000041 0.000012 0.000092 0.000049 -0.000001 34O 3pz 0.001181 -0.000062 -0.000216 -0.001347 0.000088 -0.000023 34O 3px 0.000504 0.000141 -0.000692 0.000431 -0.000361 -0.000127 34O 3py -0.001826 0.000058 0.000452 0.001703 -0.000211 0.000020 34O 1dz2 0.000105 -0.000006 -0.000005 -0.000029 -0.000007 -0.000002 34O 1dxz -0.000000 -0.000005 -0.000001 0.000008 0.000007 -0.000001 34O 1dyz -0.000044 0.000005 0.000002 -0.000039 -0.000032 0.000003 34O 1dx2y2 -0.000203 -0.000002 0.000007 0.000011 -0.000009 0.000003 34O 1dxy 0.000105 -0.000001 -0.000003 -0.000033 -0.000012 -0.000001 34O 2dz2 -0.000651 0.000008 0.000027 0.000049 0.000051 0.000006 34O 2dxz -0.000079 0.000033 0.000002 -0.000116 -0.000018 0.000010 34O 2dyz 0.000157 -0.000030 -0.000009 0.000157 0.000104 -0.000011 34O 2dx2y2 0.001129 0.000012 -0.000042 0.000107 -0.000009 -0.000013 34O 2dxy -0.000511 0.000006 0.000022 0.000177 0.000056 -0.000002 34O 1f0 0.000017 0.000001 -0.000001 -0.000002 -0.000014 -0.000001 34O 1f+1 -0.000102 -0.000001 0.000001 0.000020 0.000005 0.000000 34O 1f-1 0.000015 0.000003 -0.000002 -0.000013 -0.000008 0.000002 34O 1f+2 -0.000025 0.000005 -0.000003 0.000025 -0.000016 0.000003 34O 1f-2 0.000008 -0.000001 0.000003 0.000070 -0.000015 -0.000001 34O 1f+3 -0.000115 -0.000005 -0.000000 -0.000016 0.000018 0.000003 34O 1f-3 0.000076 -0.000007 -0.000003 -0.000003 -0.000005 0.000003 35O 1s -0.000223 0.000136 -0.000142 0.000037 -0.000000 -0.000000 35O 2s -0.000341 0.000231 -0.000221 0.000058 0.000005 0.000000 35O 3s 0.000039 -0.000092 0.000027 -0.000028 -0.000043 -0.000004 35O 4s -0.000078 -0.000266 -0.000029 0.000164 0.000063 -0.000003 35O 5s 0.002292 -0.002512 0.002498 -0.000914 0.000476 0.000118 35O 1pz -0.000017 -0.000017 -0.000010 -0.000004 0.000016 0.000001 35O 1px -0.000040 -0.000007 -0.000035 0.000007 0.000000 0.000001 35O 1py -0.000018 -0.000010 -0.000029 -0.000007 -0.000005 -0.000002 35O 2pz 0.000120 0.000162 0.000075 0.000000 -0.000013 -0.000011 35O 2px 0.000375 -0.000558 0.000365 -0.000031 0.000076 -0.000004 35O 2py 0.000166 -0.000124 0.000247 0.000038 0.000072 0.000007 35O 3pz -0.000288 0.001930 0.000081 0.000124 -0.000027 0.000037 35O 3px 0.000782 -0.000703 0.001172 -0.000074 0.000312 0.000101 35O 3py 0.000462 0.000973 0.000102 0.000067 -0.000105 0.000001 35O 1dz2 0.000001 -0.000005 0.000010 0.000009 -0.000013 0.000003 35O 1dxz 0.000000 -0.000013 0.000012 0.000003 -0.000004 0.000001 35O 1dyz 0.000003 -0.000045 0.000002 -0.000000 -0.000017 0.000001 35O 1dx2y2 -0.000015 -0.000015 -0.000002 0.000002 -0.000004 0.000001 35O 1dxy 0.000004 -0.000036 -0.000008 -0.000003 -0.000004 -0.000001 35O 2dz2 -0.000050 0.000103 -0.000104 -0.000033 0.000025 -0.000012 35O 2dxz 0.000020 0.000137 -0.000038 -0.000018 0.000019 -0.000008 35O 2dyz -0.000010 0.000214 0.000001 -0.000014 0.000063 -0.000003 35O 2dx2y2 0.000130 -0.000080 0.000067 -0.000014 0.000032 0.000001 35O 2dxy 0.000047 0.000089 0.000111 0.000022 0.000030 0.000006 35O 1f0 -0.000005 0.000000 -0.000001 0.000002 -0.000009 0.000003 35O 1f+1 -0.000010 0.000026 -0.000007 -0.000001 -0.000007 -0.000001 35O 1f-1 -0.000001 0.000017 -0.000002 0.000003 -0.000016 0.000000 35O 1f+2 0.000002 -0.000048 0.000004 0.000001 0.000005 -0.000001 35O 1f-2 0.000004 0.000052 0.000003 0.000003 -0.000006 -0.000001 35O 1f+3 -0.000004 -0.000012 0.000000 0.000008 -0.000005 -0.000001 35O 1f-3 -0.000009 -0.000025 -0.000016 -0.000005 -0.000002 -0.000001 24 25 26 27 28 29 -17.65608 -17.65602 -17.64785 -17.64779 -11.34159 -11.34154 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s 0.000000 0.000006 0.000004 -0.000104 0.000001 0.000055 0Rh 2s 0.000000 -0.000020 0.000006 0.000384 -0.000000 -0.000137 0Rh 3s 0.000001 0.000015 0.000024 -0.000264 0.000004 0.000204 0Rh 4s -0.000002 0.000026 -0.000048 -0.000492 -0.000004 0.000208 0Rh 5s 0.000004 0.000003 0.000103 -0.000008 0.000019 -0.000146 0Rh 6s -0.000005 0.000001 -0.000100 -0.000207 -0.000055 0.000114 0Rh 7s 0.000024 -0.000002 -0.000763 0.001148 0.000261 -0.000273 0Rh 8s 0.000008 0.000010 -0.000011 -0.000743 0.000066 0.000218 0Rh 1pz 0.001930 0.436951 0.003322 -0.139695 0.000001 -0.000002 0Rh 1px 0.000596 0.136915 -0.010192 0.428602 -0.000001 -0.000015 0Rh 1py 0.000168 0.027878 -0.002011 0.084591 0.000000 0.000009 0Rh 2pz -0.004465 -1.011231 -0.007689 0.323326 -0.000004 0.000005 0Rh 2px -0.001379 -0.316862 0.023591 -0.992009 0.000003 0.000038 0Rh 2py -0.000389 -0.064514 0.004655 -0.195788 -0.000000 -0.000023 0Rh 3pz -0.000221 -0.047201 -0.000356 0.015022 0.000023 0.000017 0Rh 3px -0.000068 -0.014794 0.001093 -0.046079 -0.000016 0.000013 0Rh 3py -0.000019 -0.002979 0.000217 -0.009089 -0.000001 0.000008 0Rh 4pz 0.000056 0.004312 0.000042 -0.001411 -0.000057 -0.000037 0Rh 4px 0.000016 0.001361 -0.000133 0.004319 0.000051 -0.000029 0Rh 4py 0.000003 0.000208 -0.000029 0.000842 0.000005 -0.000015 0Rh 5pz -0.000079 -0.002214 -0.000070 0.000761 0.000062 0.000070 0Rh 5px -0.000021 -0.000692 0.000224 -0.002309 -0.000084 0.000040 0Rh 5py -0.000003 -0.000111 0.000046 -0.000437 -0.000015 0.000019 0Rh 6pz 0.000475 0.000808 0.000148 -0.000662 0.000265 -0.000332 0Rh 6px 0.000104 0.000213 -0.000402 0.001803 -0.000083 -0.000255 0Rh 6py 0.000018 0.000030 -0.000030 0.000140 0.000095 0.000049 0Rh 1dz2 0.000000 -0.000102 0.000000 -0.000053 0.005414 0.537231 0Rh 1dxz -0.000001 0.000140 0.000001 -0.000093 0.002604 0.258837 0Rh 1dyz -0.000000 0.000047 0.000000 -0.000020 0.000677 0.066409 0Rh 1dx2y2 -0.000000 0.000044 -0.000001 0.000123 0.004624 0.461077 0Rh 1dxy 0.000000 0.000034 -0.000001 0.000069 0.002087 0.208210 0Rh 2dz2 -0.000004 -0.000045 0.000006 -0.000077 0.001970 0.196682 0Rh 2dxz 0.000007 0.000059 0.000008 -0.000105 0.000946 0.094554 0Rh 2dyz 0.000001 0.000029 0.000002 -0.000033 0.000249 0.024659 0Rh 2dx2y2 0.000003 0.000022 -0.000012 0.000133 0.001691 0.168739 0Rh 2dxy 0.000001 0.000006 -0.000004 0.000068 0.000763 0.076270 0Rh 3dz2 0.000012 0.000003 -0.000014 0.000024 0.000419 0.038225 0Rh 3dxz -0.000019 -0.000003 -0.000019 0.000020 0.000198 0.018355 0Rh 3dyz -0.000003 -0.000004 -0.000003 0.000012 0.000060 0.004966 0Rh 3dx2y2 -0.000007 -0.000004 0.000028 -0.000025 0.000333 0.032788 0Rh 3dxy -0.000002 0.000004 0.000009 -0.000013 0.000153 0.014914 0Rh 4dz2 -0.000025 -0.000006 0.000045 -0.000003 -0.000125 -0.004116 0Rh 4dxz 0.000039 0.000010 0.000061 0.000000 -0.000043 -0.001862 0Rh 4dyz 0.000008 0.000004 0.000010 -0.000004 -0.000039 -0.001099 0Rh 4dx2y2 0.000015 0.000004 -0.000092 -0.000002 -0.000048 -0.003513 0Rh 4dxy 0.000003 -0.000001 -0.000032 0.000003 -0.000029 -0.001803 0Rh 5dz2 0.000037 -0.000016 -0.000114 -0.000036 0.000193 0.002402 0Rh 5dxz -0.000058 0.000025 -0.000155 -0.000053 -0.000018 0.000790 0Rh 5dyz -0.000012 0.000005 -0.000025 -0.000006 0.000105 0.001799 0Rh 5dx2y2 -0.000022 0.000010 0.000234 0.000078 0.000101 0.002015 0Rh 5dxy -0.000006 0.000006 0.000080 0.000026 0.000061 0.001440 0Rh 1f0 -0.000001 -0.000006 -0.000010 0.000055 0.000004 0.000008 0Rh 1f+1 -0.000000 -0.000039 0.000009 -0.000052 -0.000014 -0.000005 0Rh 1f-1 0.000002 -0.000026 0.000002 -0.000001 0.000001 0.000000 0Rh 1f+2 -0.000001 0.000046 0.000013 -0.000054 0.000007 0.000002 0Rh 1f-2 0.000000 0.000015 0.000005 -0.000039 0.000000 -0.000007 0Rh 1f+3 0.000001 -0.000025 0.000016 -0.000064 0.000016 0.000003 0Rh 1f-3 -0.000000 -0.000005 0.000010 -0.000030 0.000008 0.000011 1Rh 1s -0.000005 -0.000000 0.000105 0.000001 -0.000055 0.000000 1Rh 2s 0.000019 -0.000001 -0.000384 -0.000024 0.000136 -0.000003 1Rh 3s -0.000014 -0.000001 0.000266 -0.000012 -0.000203 0.000000 1Rh 4s -0.000025 0.000002 0.000490 0.000071 -0.000208 0.000009 1Rh 5s -0.000003 -0.000004 0.000013 -0.000103 0.000145 -0.000023 1Rh 6s -0.000001 0.000005 0.000202 0.000109 -0.000113 0.000058 1Rh 7s 0.000002 -0.000023 -0.001183 0.000708 0.000266 -0.000269 1Rh 8s -0.000012 -0.000008 0.000742 0.000046 -0.000214 -0.000063 1Rh 1pz 0.436982 -0.001931 -0.139600 -0.003320 -0.000003 0.000001 1Rh 1px 0.136954 -0.000614 0.428615 0.010192 -0.000015 -0.000000 1Rh 1py 0.027188 -0.000077 0.084682 0.002014 0.000009 -0.000000 1Rh 2pz -1.011303 0.004469 0.323107 0.007683 0.000005 -0.000004 1Rh 2px -0.316954 0.001420 -0.992039 -0.023589 0.000038 0.000002 1Rh 2py -0.062919 0.000177 -0.196000 -0.004661 -0.000023 0.000000 1Rh 3pz -0.047205 0.000196 0.015011 0.000358 0.000017 0.000023 1Rh 3px -0.014798 0.000063 -0.046081 -0.001098 0.000012 -0.000016 1Rh 3py -0.002904 0.000008 -0.009099 -0.000215 0.000007 -0.000001 1Rh 4pz 0.004312 0.000018 -0.001411 -0.000026 -0.000037 -0.000056 1Rh 4px 0.001361 0.000004 0.004321 0.000073 -0.000027 0.000052 1Rh 4py 0.000201 0.000001 0.000844 0.000011 -0.000014 0.000005 1Rh 5pz -0.002215 -0.000059 0.000763 -0.000034 0.000070 0.000062 1Rh 5px -0.000693 -0.000015 -0.002317 0.000114 0.000038 -0.000084 1Rh 5py -0.000108 -0.000003 -0.000439 0.000025 0.000018 -0.000015 1Rh 6pz 0.000813 0.000468 -0.000666 0.000116 -0.000326 0.000271 1Rh 6px 0.000215 0.000101 0.001820 -0.000317 -0.000252 -0.000078 1Rh 6py 0.000031 0.000019 0.000145 -0.000023 0.000045 0.000094 1Rh 1dz2 0.000102 -0.000001 0.000053 0.000002 -0.537314 0.005388 1Rh 1dxz -0.000141 0.000002 0.000092 0.000004 -0.258970 0.002602 1Rh 1dyz -0.000047 0.000001 0.000020 0.000001 -0.065598 0.000648 1Rh 1dx2y2 -0.000044 0.000001 -0.000123 -0.000005 -0.461173 0.004648 1Rh 1dxy -0.000034 -0.000000 -0.000069 -0.000002 -0.207879 0.002096 1Rh 2dz2 0.000045 0.000004 0.000077 -0.000002 -0.196712 0.001985 1Rh 2dxz -0.000059 -0.000006 0.000105 -0.000003 -0.094603 0.000956 1Rh 2dyz -0.000029 -0.000001 0.000033 -0.000000 -0.024361 0.000244 1Rh 2dx2y2 -0.000022 -0.000002 -0.000133 0.000005 -0.168774 0.001703 1Rh 2dxy -0.000006 -0.000001 -0.000068 0.000001 -0.076149 0.000769 1Rh 3dz2 -0.000003 -0.000012 -0.000024 0.000013 -0.038231 0.000349 1Rh 3dxz 0.000003 0.000019 -0.000021 0.000018 -0.018364 0.000171 1Rh 3dyz 0.000004 0.000003 -0.000012 0.000002 -0.004908 0.000040 1Rh 3dx2y2 0.000004 0.000007 0.000026 -0.000027 -0.032795 0.000326 1Rh 3dxy -0.000004 0.000002 0.000014 -0.000009 -0.014890 0.000147 1Rh 4dz2 0.000007 0.000025 0.000005 -0.000045 0.004118 0.000042 1Rh 4dxz -0.000010 -0.000039 0.000003 -0.000061 0.001863 0.000005 1Rh 4dyz -0.000004 -0.000008 0.000004 -0.000010 0.001092 0.000018 1Rh 4dx2y2 -0.000004 -0.000014 -0.000003 0.000092 0.003514 -0.000023 1Rh 4dxy 0.000001 -0.000003 -0.000005 0.000031 0.001800 -0.000008 1Rh 5dz2 0.000015 -0.000037 0.000031 0.000116 -0.002403 -0.000146 1Rh 5dxz -0.000024 0.000058 0.000045 0.000157 -0.000790 0.000034 1Rh 5dyz -0.000005 0.000012 0.000004 0.000025 -0.001792 -0.000069 1Rh 5dx2y2 -0.000010 0.000022 -0.000067 -0.000237 -0.002016 -0.000060 1Rh 5dxy -0.000005 0.000006 -0.000022 -0.000081 -0.001437 -0.000032 1Rh 1f0 -0.000006 -0.000001 0.000055 -0.000008 0.000008 0.000004 1Rh 1f+1 -0.000039 0.000000 -0.000052 0.000006 -0.000005 -0.000014 1Rh 1f-1 -0.000026 0.000002 -0.000001 0.000002 0.000000 0.000001 1Rh 1f+2 0.000046 -0.000001 -0.000054 0.000011 0.000002 0.000007 1Rh 1f-2 0.000015 -0.000000 -0.000040 0.000004 -0.000007 0.000000 1Rh 1f+3 -0.000025 0.000001 -0.000065 0.000013 0.000003 0.000016 1Rh 1f-3 -0.000005 -0.000000 -0.000030 0.000008 0.000011 0.000008 2C 1s -0.000001 -0.000000 0.000000 -0.000000 -0.000000 0.000001 2C 2s 0.000003 0.000002 -0.000002 0.000002 0.000001 -0.000005 2C 3s -0.000006 0.000004 -0.000023 0.000021 0.000111 -0.000207 2C 4s -0.000031 -0.000054 0.000252 -0.000231 -0.000684 0.001349 2C 5s 0.000243 0.000464 -0.000219 0.000079 -0.000472 0.000065 2C 1pz 0.000001 0.000001 -0.000002 0.000002 0.000017 -0.000036 2C 1px 0.000002 0.000003 0.000001 0.000002 0.000011 -0.000003 2C 1py -0.000002 -0.000003 -0.000001 0.000001 0.000004 0.000006 2C 2pz -0.000057 -0.000052 0.000194 -0.000189 -0.000413 0.000823 2C 2px -0.000037 -0.000024 0.000045 -0.000030 -0.000089 0.000164 2C 2py -0.000032 -0.000009 0.000130 -0.000120 -0.000222 0.000330 2C 3pz 0.000024 0.000097 -0.000080 0.000061 -0.000197 -0.000032 2C 3px 0.000087 -0.000037 -0.000068 0.000016 -0.000156 0.000112 2C 3py 0.000064 0.000043 -0.000054 0.000027 0.000017 0.000116 2C 1dz2 0.000003 -0.000001 0.000005 -0.000004 -0.000007 0.000005 2C 1dxz -0.000002 0.000003 0.000003 -0.000003 0.000006 0.000004 2C 1dyz -0.000001 0.000001 0.000006 -0.000005 -0.000015 0.000025 2C 1dx2y2 -0.000001 0.000003 -0.000003 0.000004 0.000006 -0.000012 2C 1dxy -0.000002 0.000003 0.000000 -0.000001 0.000002 0.000012 2C 2dz2 -0.000033 -0.000015 0.000047 -0.000035 -0.000145 0.000234 2C 2dxz 0.000004 -0.000005 -0.000002 -0.000027 -0.000104 0.000084 2C 2dyz -0.000027 -0.000032 0.000070 -0.000056 -0.000085 0.000200 2C 2dx2y2 -0.000001 -0.000016 -0.000011 0.000022 -0.000010 -0.000033 2C 2dxy -0.000003 -0.000019 0.000002 -0.000020 -0.000039 0.000055 2C 1f0 -0.000003 0.000001 0.000005 0.000001 -0.000021 0.000024 2C 1f+1 0.000002 -0.000001 0.000003 -0.000007 -0.000008 0.000020 2C 1f-1 -0.000001 -0.000002 0.000004 -0.000002 -0.000022 0.000044 2C 1f+2 -0.000000 -0.000000 -0.000006 0.000002 -0.000000 -0.000014 2C 1f-2 0.000000 -0.000001 -0.000003 -0.000004 -0.000011 0.000016 2C 1f+3 -0.000001 0.000001 -0.000000 -0.000002 -0.000009 -0.000003 2C 1f-3 0.000001 0.000002 0.000005 -0.000001 0.000009 -0.000004 3C 1s -0.000000 -0.000000 0.000000 -0.000000 0.000001 -0.000001 3C 2s 0.000001 0.000000 -0.000002 0.000002 -0.000003 0.000004 3C 3s -0.000000 0.000009 -0.000024 0.000019 -0.000135 0.000106 3C 4s -0.000029 -0.000065 0.000255 -0.000234 0.000914 -0.000727 3C 5s 0.000274 0.000335 -0.000157 0.000129 -0.000026 -0.000625 3C 1pz 0.000001 0.000002 -0.000001 0.000000 0.000002 -0.000006 3C 1px -0.000000 0.000002 0.000001 0.000002 -0.000011 -0.000010 3C 1py 0.000000 0.000001 0.000002 -0.000001 0.000017 -0.000025 3C 2pz -0.000021 -0.000036 0.000110 -0.000109 0.000249 -0.000107 3C 2px -0.000022 -0.000031 0.000083 -0.000065 0.000182 -0.000090 3C 2py 0.000049 0.000045 -0.000197 0.000186 -0.000518 0.000457 3C 3pz -0.000019 0.000016 -0.000011 0.000033 -0.000118 -0.000059 3C 3px 0.000039 0.000005 -0.000056 0.000008 0.000024 -0.000142 3C 3py -0.000076 -0.000066 0.000081 -0.000081 -0.000102 0.000117 3C 1dz2 0.000003 0.000002 -0.000000 0.000000 0.000002 0.000002 3C 1dxz 0.000001 0.000001 0.000003 -0.000004 0.000003 -0.000010 3C 1dyz -0.000002 -0.000001 -0.000004 0.000004 -0.000021 0.000015 3C 1dx2y2 0.000000 0.000003 -0.000006 0.000005 -0.000010 -0.000007 3C 1dxy 0.000003 -0.000002 -0.000004 0.000004 -0.000000 0.000013 3C 2dz2 -0.000007 -0.000003 -0.000008 0.000016 -0.000102 0.000090 3C 2dxz -0.000015 -0.000007 0.000006 -0.000032 0.000035 -0.000007 3C 2dyz 0.000040 0.000038 -0.000069 0.000044 -0.000081 0.000057 3C 2dx2y2 0.000000 -0.000002 -0.000041 0.000032 -0.000155 0.000138 3C 2dxy 0.000003 0.000016 -0.000025 0.000043 -0.000126 0.000053 3C 1f0 -0.000000 0.000002 -0.000001 0.000001 -0.000024 0.000013 3C 1f+1 -0.000001 -0.000002 0.000004 -0.000000 -0.000010 0.000010 3C 1f-1 0.000005 0.000002 -0.000002 -0.000001 0.000017 -0.000016 3C 1f+2 0.000001 -0.000000 -0.000004 -0.000001 -0.000017 0.000019 3C 1f-2 -0.000001 0.000002 -0.000003 0.000005 -0.000012 0.000005 3C 1f+3 -0.000001 0.000000 0.000002 -0.000008 0.000015 -0.000017 3C 1f-3 -0.000001 -0.000001 -0.000008 -0.000000 -0.000014 0.000014 4C 1s -0.000001 -0.000001 0.000001 -0.000001 -0.000002 0.000003 4C 2s 0.000006 0.000005 -0.000004 0.000003 0.000011 -0.000019 4C 3s -0.000172 -0.000170 -0.000027 0.000024 -0.000308 0.000453 4C 4s 0.000745 0.000757 0.000496 -0.000447 0.001221 -0.001616 4C 5s 0.000425 0.000368 0.000085 -0.000062 0.000586 -0.000287 4C 1pz -0.000016 -0.000008 -0.000005 0.000002 -0.000006 -0.000022 4C 1px 0.000012 -0.000018 0.000002 0.000002 0.000019 0.000011 4C 1py -0.000003 -0.000009 -0.000001 0.000001 0.000014 -0.000021 4C 2pz 0.000193 0.000040 0.000315 -0.000213 -0.000158 0.000554 4C 2px -0.000242 0.000296 -0.000082 -0.000142 -0.000086 0.000053 4C 2py 0.000005 0.000116 0.000153 -0.000178 -0.000212 0.000451 4C 3pz 0.000589 0.000614 -0.000310 0.000168 -0.000339 0.000198 4C 3px 0.000085 0.000175 0.000035 0.000071 -0.000221 -0.000363 4C 3py 0.000317 0.000371 -0.000184 0.000132 -0.000521 0.000171 4C 1dz2 -0.000010 -0.000008 0.000011 -0.000008 0.000004 -0.000007 4C 1dxz -0.000008 -0.000009 0.000001 -0.000007 0.000012 0.000015 4C 1dyz -0.000009 -0.000009 0.000018 -0.000016 -0.000020 0.000055 4C 1dx2y2 0.000015 0.000013 -0.000002 0.000003 0.000029 -0.000021 4C 1dxy 0.000002 0.000005 0.000002 -0.000005 -0.000017 -0.000009 4C 2dz2 0.000068 -0.000047 -0.000126 0.000137 -0.000005 -0.000124 4C 2dxz -0.000123 0.000040 -0.000146 0.000108 -0.000075 -0.000036 4C 2dyz 0.000094 0.000092 -0.000155 0.000144 0.000245 -0.000570 4C 2dx2y2 0.000045 0.000089 0.000146 -0.000148 -0.000032 0.000040 4C 2dxy 0.000009 0.000106 -0.000007 -0.000017 0.000212 -0.000037 4C 1f0 -0.000010 -0.000002 -0.000015 -0.000010 0.000001 0.000012 4C 1f+1 -0.000014 -0.000016 0.000004 0.000019 -0.000025 0.000030 4C 1f-1 0.000010 -0.000004 0.000001 -0.000006 -0.000036 0.000028 4C 1f+2 0.000026 -0.000003 0.000016 0.000004 0.000038 -0.000052 4C 1f-2 -0.000005 0.000009 0.000013 0.000011 -0.000004 0.000051 4C 1f+3 0.000017 -0.000014 0.000016 0.000012 0.000037 0.000014 4C 1f-3 0.000003 -0.000028 -0.000002 0.000010 -0.000049 0.000072 5C 1s -0.000001 -0.000001 0.000001 -0.000001 0.000002 -0.000002 5C 2s 0.000004 0.000003 -0.000004 0.000003 -0.000013 0.000012 5C 3s -0.000110 -0.000115 -0.000019 0.000034 0.000314 -0.000267 5C 4s 0.000488 0.000526 0.000451 -0.000511 -0.001103 0.000881 5C 5s 0.000220 0.000202 0.000093 -0.000042 -0.000195 0.000388 5C 1pz -0.000009 -0.000003 -0.000001 0.000001 -0.000014 0.000019 5C 1px 0.000006 -0.000013 0.000000 0.000005 -0.000021 -0.000008 5C 1py 0.000006 0.000003 0.000004 -0.000004 0.000009 -0.000010 5C 2pz 0.000109 -0.000001 0.000180 -0.000111 0.000329 -0.000228 5C 2px -0.000135 0.000209 0.000002 -0.000236 0.000107 -0.000212 5C 2py -0.000071 -0.000009 -0.000278 0.000238 -0.000392 0.000258 5C 3pz 0.000323 0.000296 -0.000170 0.000112 0.000247 -0.000546 5C 3px 0.000141 0.000166 -0.000051 0.000170 0.000333 -0.000065 5C 3py -0.000331 -0.000310 0.000242 -0.000218 -0.000122 0.000498 5C 1dz2 -0.000002 -0.000001 -0.000003 0.000005 0.000007 -0.000027 5C 1dxz -0.000004 -0.000007 0.000003 -0.000004 0.000031 0.000000 5C 1dyz 0.000002 0.000002 -0.000017 0.000015 -0.000036 0.000031 5C 1dx2y2 0.000011 0.000011 -0.000011 0.000006 -0.000001 -0.000005 5C 1dxy 0.000007 0.000003 -0.000008 0.000012 0.000002 0.000024 5C 2dz2 -0.000020 -0.000084 -0.000024 0.000040 0.000104 0.000090 5C 2dxz -0.000066 0.000024 -0.000117 0.000103 -0.000182 -0.000097 5C 2dyz -0.000085 -0.000044 0.000107 -0.000113 0.000315 -0.000335 5C 2dx2y2 -0.000017 0.000051 0.000190 -0.000207 -0.000050 -0.000024 5C 2dxy 0.000017 -0.000052 0.000134 -0.000094 0.000154 -0.000067 5C 1f0 -0.000013 0.000001 -0.000012 -0.000002 0.000023 0.000005 5C 1f+1 -0.000001 -0.000015 -0.000002 0.000011 0.000037 -0.000058 5C 1f-1 -0.000006 0.000002 0.000006 0.000004 -0.000022 -0.000009 5C 1f+2 0.000005 -0.000004 0.000012 0.000017 -0.000054 0.000015 5C 1f-2 0.000015 -0.000006 -0.000000 -0.000006 -0.000020 0.000056 5C 1f+3 0.000003 -0.000017 0.000011 0.000022 0.000037 -0.000020 5C 1f-3 0.000010 0.000008 0.000019 0.000006 -0.000026 0.000002 6C 1s 0.000001 0.000001 0.000001 -0.000001 0.000002 -0.000002 6C 2s -0.000003 -0.000004 -0.000003 0.000004 -0.000012 0.000014 6C 3s 0.000117 0.000108 -0.000035 0.000018 0.000261 -0.000322 6C 4s -0.000531 -0.000481 0.000532 -0.000428 -0.000863 0.001131 6C 5s -0.000203 -0.000218 0.000046 -0.000092 -0.000384 0.000199 6C 1pz -0.000003 -0.000009 0.000001 -0.000001 0.000019 -0.000014 6C 1px -0.000013 0.000006 0.000005 0.000001 -0.000009 -0.000021 6C 1py 0.000003 0.000006 -0.000004 0.000004 -0.000010 0.000009 6C 2pz -0.000001 0.000108 -0.000119 0.000175 -0.000222 0.000334 6C 2px 0.000208 -0.000135 -0.000237 -0.000010 -0.000206 0.000113 6C 2py -0.000009 -0.000071 0.000251 -0.000266 0.000250 -0.000399 6C 3pz 0.000299 0.000319 0.000121 -0.000164 -0.000536 0.000255 6C 3px 0.000167 0.000139 0.000172 -0.000043 -0.000054 0.000333 6C 3py -0.000314 -0.000327 -0.000230 0.000230 0.000489 -0.000129 6C 1dz2 0.000001 0.000002 -0.000006 0.000002 0.000027 -0.000007 6C 1dxz 0.000007 0.000004 0.000005 -0.000002 -0.000001 -0.000031 6C 1dyz -0.000002 -0.000002 -0.000016 0.000016 -0.000030 0.000037 6C 1dx2y2 -0.000011 -0.000011 -0.000006 0.000010 0.000005 0.000001 6C 1dxy -0.000003 -0.000007 -0.000012 0.000007 -0.000024 -0.000001 6C 2dz2 0.000084 0.000020 -0.000041 0.000022 -0.000091 -0.000103 6C 2dxz -0.000024 0.000066 -0.000108 0.000112 0.000100 0.000179 6C 2dyz 0.000045 0.000084 0.000118 -0.000101 0.000329 -0.000323 6C 2dx2y2 -0.000051 0.000018 0.000215 -0.000180 0.000025 0.000050 6C 2dxy 0.000052 -0.000017 0.000100 -0.000129 0.000065 -0.000157 6C 1f0 0.000001 -0.000013 -0.000001 -0.000013 0.000005 0.000022 6C 1f+1 -0.000015 -0.000001 0.000011 -0.000002 -0.000058 0.000039 6C 1f-1 0.000002 -0.000006 0.000004 0.000006 -0.000009 -0.000021 6C 1f+2 -0.000004 0.000005 0.000017 0.000013 0.000014 -0.000054 6C 1f-2 -0.000006 0.000015 -0.000006 -0.000001 0.000056 -0.000022 6C 1f+3 -0.000017 0.000003 0.000021 0.000012 -0.000019 0.000037 6C 1f-3 0.000008 0.000009 0.000005 0.000019 0.000001 -0.000026 7C 1s 0.000001 0.000001 0.000001 -0.000001 -0.000003 0.000002 7C 2s -0.000005 -0.000006 -0.000004 0.000003 0.000018 -0.000011 7C 3s 0.000172 0.000170 -0.000025 0.000026 -0.000446 0.000318 7C 4s -0.000764 -0.000740 0.000472 -0.000474 0.001594 -0.001261 7C 5s -0.000369 -0.000420 0.000066 -0.000082 0.000264 -0.000581 7C 1pz -0.000008 -0.000016 0.000002 -0.000005 -0.000022 -0.000005 7C 1px -0.000018 0.000012 0.000002 0.000002 0.000012 0.000019 7C 1py -0.000009 -0.000002 0.000002 -0.000001 -0.000021 0.000015 7C 2pz 0.000042 0.000192 -0.000227 0.000304 0.000554 -0.000175 7C 2px 0.000293 -0.000244 -0.000139 -0.000090 0.000051 -0.000087 7C 2py 0.000115 0.000004 -0.000187 0.000146 0.000451 -0.000225 7C 3pz 0.000619 0.000583 0.000183 -0.000304 0.000186 -0.000341 7C 3px 0.000174 0.000084 0.000069 0.000039 -0.000364 -0.000215 7C 3py 0.000374 0.000314 0.000141 -0.000179 0.000158 -0.000524 7C 1dz2 0.000008 0.000010 0.000008 -0.000011 0.000007 -0.000005 7C 1dxz 0.000009 0.000008 0.000007 -0.000000 -0.000015 -0.000011 7C 1dyz 0.000009 0.000009 0.000017 -0.000018 -0.000054 0.000021 7C 1dx2y2 -0.000013 -0.000015 -0.000004 0.000002 0.000020 -0.000030 7C 1dxy -0.000005 -0.000002 0.000006 -0.000002 0.000009 0.000017 7C 2dz2 0.000047 -0.000068 -0.000143 0.000119 0.000123 0.000003 7C 2dxz -0.000038 0.000123 -0.000114 0.000140 0.000038 0.000073 7C 2dyz -0.000093 -0.000093 -0.000152 0.000148 0.000566 -0.000258 7C 2dx2y2 -0.000089 -0.000044 0.000155 -0.000139 -0.000042 0.000033 7C 2dxy -0.000106 -0.000008 0.000017 0.000009 0.000032 -0.000214 7C 1f0 -0.000002 -0.000010 -0.000009 -0.000015 0.000011 0.000000 7C 1f+1 -0.000016 -0.000014 0.000019 0.000005 0.000029 -0.000025 7C 1f-1 -0.000004 0.000010 -0.000006 0.000001 0.000027 -0.000037 7C 1f+2 -0.000003 0.000026 0.000003 0.000016 -0.000051 0.000039 7C 1f-2 0.000009 -0.000005 0.000011 0.000013 0.000051 -0.000005 7C 1f+3 -0.000014 0.000018 0.000011 0.000017 0.000015 0.000037 7C 1f-3 -0.000028 0.000003 0.000010 -0.000002 0.000071 -0.000051 8C 1s 0.000000 0.000000 0.000000 -0.000000 0.000001 -0.000001 8C 2s -0.000000 -0.000001 -0.000002 0.000002 -0.000004 0.000003 8C 3s -0.000009 0.000000 -0.000020 0.000023 -0.000104 0.000139 8C 4s 0.000066 0.000027 0.000245 -0.000243 0.000709 -0.000935 8C 5s -0.000339 -0.000269 -0.000136 0.000151 0.000616 0.000030 8C 1pz 0.000002 0.000001 0.000000 -0.000001 -0.000006 0.000002 8C 1px 0.000002 -0.000000 0.000002 0.000001 -0.000010 -0.000011 8C 1py 0.000001 0.000000 -0.000001 0.000002 -0.000025 0.000018 8C 2pz -0.000037 -0.000021 -0.000114 0.000104 -0.000100 0.000253 8C 2px -0.000031 -0.000021 -0.000069 0.000080 -0.000086 0.000183 8C 2py 0.000045 0.000048 0.000195 -0.000188 0.000447 -0.000530 8C 3pz 0.000017 -0.000020 0.000033 -0.000010 -0.000064 -0.000120 8C 3px 0.000005 0.000040 0.000011 -0.000056 -0.000141 0.000031 8C 3py -0.000067 -0.000075 -0.000085 0.000077 0.000111 -0.000102 8C 1dz2 -0.000002 -0.000003 -0.000000 0.000000 -0.000002 -0.000002 8C 1dxz -0.000001 -0.000001 0.000004 -0.000003 0.000010 -0.000003 8C 1dyz 0.000001 0.000002 -0.000004 0.000004 -0.000015 0.000022 8C 1dx2y2 -0.000003 -0.000000 -0.000006 0.000005 0.000007 0.000010 8C 1dxy 0.000002 -0.000003 -0.000004 0.000004 -0.000012 0.000001 8C 2dz2 0.000003 0.000007 -0.000016 0.000008 -0.000088 0.000104 8C 2dxz 0.000008 0.000014 0.000032 -0.000004 0.000007 -0.000036 8C 2dyz -0.000039 -0.000039 -0.000047 0.000067 -0.000056 0.000084 8C 2dx2y2 0.000001 -0.000000 -0.000034 0.000039 -0.000134 0.000158 8C 2dxy -0.000016 -0.000002 -0.000044 0.000023 -0.000050 0.000128 8C 1f0 0.000002 -0.000000 0.000001 -0.000000 0.000013 -0.000024 8C 1f+1 -0.000002 -0.000001 -0.000000 0.000004 0.000010 -0.000010 8C 1f-1 0.000002 0.000005 -0.000001 -0.000002 -0.000016 0.000017 8C 1f+2 -0.000000 0.000001 -0.000001 -0.000004 0.000019 -0.000017 8C 1f-2 0.000002 -0.000001 0.000005 -0.000002 0.000005 -0.000013 8C 1f+3 0.000000 -0.000001 -0.000008 0.000002 -0.000016 0.000015 8C 1f-3 -0.000001 -0.000001 0.000000 -0.000008 0.000013 -0.000015 9C 1s 0.000000 0.000001 0.000000 -0.000000 -0.000001 0.000000 9C 2s -0.000002 -0.000003 -0.000002 0.000002 0.000005 -0.000000 9C 3s -0.000005 0.000006 -0.000022 0.000022 0.000207 -0.000119 9C 4s 0.000055 0.000031 0.000243 -0.000241 -0.001345 0.000725 9C 5s -0.000470 -0.000239 -0.000090 0.000218 -0.000034 0.000446 9C 1pz 0.000001 0.000001 0.000002 -0.000002 -0.000036 0.000018 9C 1px 0.000003 0.000002 0.000002 0.000001 -0.000003 0.000011 9C 1py -0.000003 -0.000002 0.000001 -0.000000 0.000006 0.000004 9C 2pz -0.000052 -0.000057 -0.000198 0.000184 0.000816 -0.000435 9C 2px -0.000024 -0.000036 -0.000032 0.000044 0.000164 -0.000090 9C 2py -0.000011 -0.000034 -0.000127 0.000125 0.000329 -0.000234 9C 3pz 0.000097 0.000023 0.000064 -0.000077 -0.000039 -0.000190 9C 3px -0.000035 0.000086 0.000019 -0.000067 0.000103 -0.000165 9C 3py 0.000044 0.000065 0.000030 -0.000055 0.000118 0.000013 9C 1dz2 0.000001 -0.000003 0.000004 -0.000004 -0.000005 0.000007 9C 1dxz -0.000003 0.000002 0.000003 -0.000003 -0.000004 -0.000006 9C 1dyz -0.000001 0.000001 0.000005 -0.000006 -0.000025 0.000016 9C 1dx2y2 -0.000003 0.000001 -0.000004 0.000003 0.000012 -0.000006 9C 1dxy -0.000003 0.000002 0.000001 -0.000000 -0.000012 -0.000002 9C 2dz2 0.000015 0.000033 0.000036 -0.000045 -0.000230 0.000151 9C 2dxz 0.000004 -0.000004 0.000026 0.000004 -0.000081 0.000106 9C 2dyz 0.000032 0.000027 0.000060 -0.000068 -0.000201 0.000093 9C 2dx2y2 0.000016 0.000001 -0.000023 0.000010 0.000035 0.000008 9C 2dxy 0.000019 0.000003 0.000019 -0.000001 -0.000054 0.000041 9C 1f0 0.000000 -0.000003 0.000001 0.000005 0.000024 -0.000022 9C 1f+1 -0.000001 0.000002 -0.000007 0.000003 0.000020 -0.000008 9C 1f-1 -0.000002 -0.000002 -0.000003 0.000004 0.000044 -0.000023 9C 1f+2 -0.000000 -0.000000 0.000002 -0.000005 -0.000014 0.000000 9C 1f-2 -0.000001 0.000000 -0.000004 -0.000003 0.000016 -0.000012 9C 1f+3 0.000001 -0.000001 -0.000002 -0.000001 -0.000003 -0.000009 9C 1f-3 0.000002 0.000001 -0.000002 0.000005 -0.000004 0.000009 10H 1s -0.000001 -0.000003 -0.000004 0.000003 -0.000006 0.000005 10H 2s 0.000020 0.000036 -0.000005 -0.000042 -0.000017 -0.000022 10H 3s -0.000042 -0.000020 0.000010 0.000042 0.000079 -0.000072 10H 1pz 0.000002 0.000004 -0.000002 -0.000004 0.000008 -0.000015 10H 1px -0.000002 -0.000001 0.000002 0.000005 0.000009 0.000006 10H 1py 0.000002 0.000003 -0.000001 -0.000001 0.000006 -0.000011 11H 1s -0.000007 -0.000004 0.000001 -0.000002 0.000004 0.000002 11H 2s 0.000011 -0.000013 0.000023 -0.000003 0.000017 0.000018 11H 3s 0.000021 -0.000020 -0.000055 0.000045 -0.000156 -0.000067 11H 1pz 0.000003 -0.000000 -0.000002 0.000003 -0.000010 -0.000002 11H 1px -0.000002 -0.000004 0.000004 -0.000002 0.000008 -0.000002 11H 1py 0.000002 0.000001 -0.000007 0.000005 -0.000013 -0.000002 12H 1s -0.000007 -0.000001 -0.000001 0.000000 0.000001 0.000004 12H 2s 0.000013 0.000003 0.000032 0.000003 -0.000053 -0.000097 12H 3s 0.000039 -0.000051 -0.000047 0.000025 0.000064 0.000179 12H 1pz 0.000006 0.000001 -0.000005 0.000004 0.000010 -0.000017 12H 1px -0.000003 -0.000002 0.000003 -0.000001 0.000000 -0.000015 12H 1py 0.000001 0.000003 0.000003 0.000002 -0.000000 -0.000036 13H 1s 0.000000 -0.000000 -0.000004 0.000003 0.000006 -0.000009 13H 2s 0.000000 0.000014 -0.000007 -0.000041 0.000017 0.000024 13H 3s -0.000026 -0.000037 0.000003 0.000049 -0.000026 0.000116 13H 1pz 0.000000 0.000000 -0.000003 -0.000004 -0.000004 0.000012 13H 1px 0.000002 -0.000000 0.000001 0.000005 -0.000007 0.000001 13H 1py 0.000001 -0.000001 0.000002 0.000002 0.000014 -0.000013 14H 1s -0.000001 -0.000000 -0.000001 0.000001 0.000000 -0.000005 14H 2s 0.000012 -0.000015 0.000031 0.000004 0.000045 0.000071 14H 3s -0.000027 -0.000018 -0.000045 0.000016 -0.000041 -0.000092 14H 1pz 0.000000 -0.000001 0.000000 0.000002 -0.000005 0.000014 14H 1px -0.000000 -0.000004 0.000005 0.000001 -0.000002 0.000022 14H 1py -0.000000 -0.000000 0.000004 -0.000003 0.000012 -0.000014 15H 1s -0.000004 -0.000001 0.000002 -0.000002 -0.000004 0.000002 15H 2s -0.000025 -0.000019 0.000018 -0.000001 -0.000024 0.000001 15H 3s 0.000023 -0.000023 -0.000062 0.000045 0.000170 0.000060 15H 1pz 0.000007 0.000004 -0.000008 0.000006 0.000016 -0.000008 15H 1px -0.000001 -0.000002 -0.000000 0.000001 -0.000003 0.000001 15H 1py 0.000003 0.000001 0.000002 -0.000003 -0.000001 0.000004 16H 1s 0.000001 0.000002 -0.000008 0.000015 0.000003 0.000023 16H 2s -0.000029 -0.000023 0.000014 0.000069 -0.000009 -0.000055 16H 3s 0.000017 0.000003 0.000012 -0.000031 0.000027 -0.000036 16H 1pz -0.000003 0.000009 0.000001 0.000007 -0.000001 -0.000018 16H 1px -0.000003 -0.000010 -0.000005 0.000006 -0.000005 -0.000001 16H 1py -0.000002 -0.000000 -0.000002 -0.000002 0.000001 0.000013 17H 1s -0.000001 -0.000002 -0.000008 0.000015 -0.000001 -0.000009 17H 2s 0.000008 0.000003 0.000015 0.000076 -0.000016 -0.000089 17H 3s -0.000012 -0.000006 0.000012 -0.000030 -0.000031 -0.000015 17H 1pz -0.000000 0.000004 0.000002 -0.000010 0.000004 0.000039 17H 1px 0.000003 0.000013 -0.000005 -0.000003 0.000006 0.000017 17H 1py 0.000002 -0.000000 -0.000001 0.000000 -0.000001 -0.000000 18H 1s 0.000002 0.000001 -0.000016 0.000007 0.000008 0.000001 18H 2s -0.000002 -0.000007 -0.000073 -0.000020 0.000092 0.000014 18H 3s 0.000007 0.000013 0.000031 -0.000011 0.000013 0.000032 18H 1pz 0.000004 -0.000000 -0.000010 0.000002 0.000040 0.000003 18H 1px 0.000014 0.000003 -0.000002 -0.000005 0.000018 0.000006 18H 1py -0.000000 0.000002 -0.000000 -0.000001 0.000000 -0.000001 19H 1s -0.000002 -0.000001 -0.000016 0.000008 -0.000021 -0.000002 19H 2s 0.000024 0.000030 -0.000069 -0.000018 0.000049 0.000007 19H 3s -0.000003 -0.000017 0.000031 -0.000011 0.000035 -0.000028 19H 1pz 0.000008 -0.000004 0.000007 0.000001 -0.000016 -0.000001 19H 1px -0.000010 -0.000003 0.000006 -0.000004 -0.000002 -0.000006 19H 1py -0.000000 -0.000003 -0.000001 -0.000002 0.000014 0.000001 20H 1s 0.000001 0.000004 0.000002 -0.000002 -0.000001 0.000004 20H 2s 0.000019 0.000024 0.000002 -0.000018 0.000001 0.000024 20H 3s 0.000024 -0.000024 -0.000048 0.000060 -0.000066 -0.000173 20H 1pz 0.000004 0.000007 0.000006 -0.000008 -0.000007 0.000016 20H 1px -0.000002 -0.000001 0.000001 -0.000000 0.000001 -0.000003 20H 1py 0.000001 0.000003 -0.000004 0.000001 0.000005 -0.000001 21H 1s 0.000000 0.000001 -0.000001 0.000001 0.000005 -0.000000 21H 2s 0.000015 -0.000012 -0.000003 -0.000031 -0.000073 -0.000045 21H 3s 0.000018 0.000026 -0.000019 0.000044 0.000096 0.000034 21H 1pz -0.000001 0.000000 0.000002 0.000001 0.000014 -0.000005 21H 1px -0.000004 -0.000000 0.000001 0.000005 0.000022 -0.000002 21H 1py -0.000000 -0.000000 -0.000003 0.000004 -0.000013 0.000012 22H 1s 0.000000 -0.000000 -0.000003 0.000004 0.000009 -0.000006 22H 2s -0.000014 -0.000000 0.000041 0.000009 -0.000025 -0.000019 22H 3s 0.000038 0.000026 -0.000049 -0.000006 -0.000113 0.000029 22H 1pz 0.000001 0.000001 -0.000004 -0.000003 0.000012 -0.000005 22H 1px -0.000000 0.000002 0.000005 0.000001 0.000001 -0.000007 22H 1py -0.000001 0.000001 0.000002 0.000002 -0.000012 0.000014 23H 1s 0.000001 0.000007 -0.000000 0.000001 -0.000004 -0.000001 23H 2s -0.000003 -0.000012 -0.000001 -0.000032 0.000098 0.000052 23H 3s 0.000050 -0.000040 -0.000028 0.000046 -0.000185 -0.000052 23H 1pz 0.000001 0.000006 0.000004 -0.000005 -0.000017 0.000010 23H 1px -0.000003 -0.000003 -0.000001 0.000003 -0.000015 0.000001 23H 1py 0.000003 0.000001 0.000002 0.000003 -0.000036 0.000000 24H 1s 0.000004 0.000007 0.000001 -0.000001 -0.000002 -0.000004 24H 2s 0.000013 -0.000011 0.000004 -0.000024 -0.000020 -0.000015 24H 3s 0.000020 -0.000021 -0.000047 0.000053 0.000071 0.000162 24H 1pz -0.000000 0.000003 0.000004 -0.000002 -0.000002 -0.000010 24H 1px -0.000004 -0.000002 -0.000002 0.000004 -0.000001 0.000008 24H 1py 0.000001 0.000002 0.000005 -0.000006 -0.000003 -0.000013 25H 1s 0.000003 0.000001 -0.000004 0.000004 -0.000004 0.000006 25H 2s -0.000036 -0.000020 0.000042 0.000007 0.000023 0.000019 25H 3s 0.000021 0.000042 -0.000042 -0.000012 0.000064 -0.000083 25H 1pz 0.000004 0.000002 -0.000004 -0.000002 -0.000015 0.000008 25H 1px -0.000001 -0.000002 0.000005 0.000002 0.000006 0.000009 25H 1py 0.000003 0.000002 -0.000001 -0.000001 -0.000011 0.000006 26O 1s 0.000000 0.000000 -0.000000 -0.000000 0.000001 0.000000 26O 2s -0.000001 -0.000008 0.000001 0.000004 -0.000008 -0.000001 26O 3s 0.000006 0.000061 -0.000011 -0.000053 0.000097 0.000036 26O 4s 0.000006 -0.000077 0.000010 0.000215 -0.000322 0.000054 26O 5s -0.000181 -0.000742 -0.000164 0.000026 0.000100 -0.000492 26O 1pz -0.000001 0.000013 -0.000004 0.000007 -0.000002 0.000004 26O 1px -0.000000 -0.000009 0.000001 -0.000006 -0.000014 -0.000002 26O 1py 0.000001 0.000014 -0.000002 0.000002 0.000020 0.000019 26O 2pz -0.000002 0.000025 0.000032 -0.000035 0.000014 -0.000144 26O 2px 0.000002 0.000145 0.000003 -0.000023 0.000149 -0.000113 26O 2py -0.000010 0.000037 0.000019 -0.000032 -0.000061 -0.000161 26O 3pz 0.000003 -0.000243 0.000114 -0.000178 0.000013 -0.000321 26O 3px 0.000118 0.000325 0.000266 -0.000413 0.000025 -0.000029 26O 3py 0.000086 0.000097 0.000169 -0.000248 0.000081 -0.000835 26O 1dz2 -0.000002 0.000013 -0.000001 0.000007 -0.000000 -0.000042 26O 1dxz 0.000002 -0.000000 -0.000004 -0.000009 -0.000001 -0.000015 26O 1dyz -0.000002 0.000031 0.000001 0.000002 0.000006 0.000017 26O 1dx2y2 0.000002 -0.000004 0.000004 0.000000 0.000001 -0.000010 26O 1dxy 0.000001 0.000009 0.000001 -0.000006 -0.000003 -0.000001 26O 2dz2 0.000007 -0.000023 0.000010 -0.000028 0.000016 0.000097 26O 2dxz 0.000001 -0.000005 0.000006 0.000046 -0.000006 0.000041 26O 2dyz 0.000007 -0.000106 0.000001 0.000003 -0.000032 -0.000163 26O 2dx2y2 -0.000015 -0.000014 -0.000017 0.000004 -0.000045 0.000115 26O 2dxy -0.000004 -0.000063 -0.000008 0.000039 0.000007 0.000014 26O 1f0 0.000002 0.000001 0.000000 0.000004 0.000002 0.000027 26O 1f+1 -0.000002 -0.000007 0.000001 0.000004 -0.000001 0.000017 26O 1f-1 0.000000 -0.000025 -0.000002 -0.000002 0.000003 0.000006 26O 1f+2 -0.000002 0.000015 -0.000000 -0.000006 0.000002 0.000017 26O 1f-2 -0.000003 -0.000007 -0.000000 -0.000001 -0.000001 -0.000001 26O 1f+3 -0.000003 -0.000004 -0.000000 -0.000003 -0.000014 -0.000007 26O 1f-3 -0.000000 -0.000008 0.000001 0.000003 0.000001 -0.000000 27O 1s 0.000000 0.000000 -0.000000 -0.000000 -0.000001 -0.000000 27O 2s -0.000000 -0.000005 0.000001 0.000004 0.000009 0.000002 27O 3s 0.000003 0.000040 -0.000009 -0.000050 -0.000108 -0.000068 27O 4s 0.000005 -0.000053 -0.000001 0.000199 0.000358 0.000012 27O 5s -0.000136 -0.000465 -0.000193 0.000175 -0.000118 0.000876 27O 1pz -0.000002 -0.000002 -0.000002 0.000006 -0.000027 -0.000021 27O 1px -0.000000 -0.000004 -0.000001 -0.000003 0.000007 -0.000005 27O 1py -0.000001 -0.000016 0.000004 -0.000006 -0.000003 0.000004 27O 2pz 0.000009 0.000027 0.000018 -0.000023 0.000138 0.000133 27O 2px 0.000003 0.000102 0.000021 -0.000058 -0.000128 0.000097 27O 2py 0.000010 0.000002 -0.000036 0.000044 0.000024 -0.000167 27O 3pz -0.000050 -0.000233 0.000023 -0.000002 -0.000082 0.000869 27O 3px 0.000088 0.000204 0.000295 -0.000444 0.000013 0.000364 27O 3py -0.000045 -0.000002 -0.000123 0.000175 -0.000043 -0.000453 27O 1dz2 0.000000 -0.000009 -0.000002 0.000002 -0.000003 -0.000030 27O 1dxz 0.000001 -0.000001 -0.000004 -0.000005 0.000004 -0.000005 27O 1dyz 0.000000 -0.000016 -0.000002 -0.000005 0.000005 0.000016 27O 1dx2y2 0.000003 -0.000010 0.000003 -0.000006 0.000003 -0.000037 27O 1dxy -0.000000 -0.000010 0.000003 0.000009 -0.000001 0.000004 27O 2dz2 0.000000 0.000041 0.000009 -0.000022 -0.000007 0.000123 27O 2dxz -0.000001 0.000010 0.000011 0.000024 -0.000049 0.000068 27O 2dyz -0.000000 0.000055 0.000001 0.000014 -0.000019 -0.000158 27O 2dx2y2 -0.000015 0.000006 -0.000019 0.000036 0.000017 0.000077 27O 2dxy -0.000004 0.000045 -0.000002 -0.000052 -0.000012 -0.000068 27O 1f0 0.000001 0.000012 0.000002 0.000005 -0.000009 -0.000001 27O 1f+1 -0.000000 -0.000001 0.000001 0.000003 0.000001 0.000008 27O 1f-1 0.000000 -0.000003 0.000001 -0.000000 -0.000001 -0.000023 27O 1f+2 -0.000002 0.000008 0.000001 -0.000000 0.000011 0.000013 27O 1f-2 0.000001 0.000008 -0.000000 -0.000004 -0.000003 -0.000016 27O 1f+3 -0.000002 -0.000011 0.000000 0.000001 0.000000 -0.000005 27O 1f-3 -0.000002 0.000009 -0.000000 -0.000006 0.000001 0.000025 28O 1s 0.000000 0.000000 0.000000 0.000000 -0.000000 -0.000001 28O 2s -0.000008 -0.000000 -0.000003 -0.000001 0.000002 0.000009 28O 3s 0.000061 0.000005 0.000045 0.000010 -0.000049 -0.000098 28O 4s -0.000078 0.000001 -0.000189 0.000002 -0.000012 0.000260 28O 5s -0.000699 -0.000205 -0.000197 0.000210 0.000290 0.000037 28O 1pz 0.000007 -0.000002 -0.000004 0.000003 -0.000003 0.000005 28O 1px 0.000008 -0.000001 -0.000006 0.000000 0.000009 -0.000012 28O 1py 0.000017 0.000000 -0.000005 0.000002 -0.000018 -0.000028 28O 2pz 0.000105 0.000005 0.000063 -0.000040 0.000181 -0.000076 28O 2px -0.000103 -0.000004 -0.000028 0.000007 -0.000069 0.000124 28O 2py -0.000009 -0.000007 0.000027 -0.000022 0.000125 0.000128 28O 3pz -0.000025 0.000086 0.000346 -0.000217 0.000538 0.000139 28O 3px -0.000405 -0.000117 -0.000320 0.000193 -0.000182 0.000003 28O 3py -0.000043 0.000042 0.000108 -0.000061 0.000789 0.000045 28O 1dz2 0.000011 0.000001 0.000005 0.000003 0.000031 0.000002 28O 1dxz 0.000004 -0.000003 -0.000009 0.000000 0.000028 -0.000006 28O 1dyz 0.000032 -0.000002 -0.000001 -0.000001 -0.000016 -0.000004 28O 1dx2y2 -0.000002 0.000002 -0.000000 -0.000004 0.000016 0.000004 28O 1dxy 0.000008 -0.000001 -0.000008 -0.000004 -0.000000 -0.000011 28O 2dz2 -0.000039 0.000000 -0.000032 -0.000009 -0.000083 -0.000003 28O 2dxz 0.000026 0.000014 0.000054 -0.000013 -0.000063 -0.000013 28O 2dyz -0.000109 0.000010 -0.000006 -0.000002 0.000149 0.000002 28O 2dx2y2 -0.000019 -0.000012 -0.000004 0.000018 -0.000122 0.000015 28O 2dxy -0.000022 0.000000 0.000035 0.000007 0.000013 0.000073 28O 1f0 -0.000003 -0.000003 -0.000002 -0.000001 -0.000024 -0.000001 28O 1f+1 -0.000004 0.000002 -0.000006 -0.000001 -0.000023 0.000002 28O 1f-1 -0.000023 -0.000001 0.000001 0.000002 0.000005 0.000001 28O 1f+2 0.000020 0.000001 0.000002 0.000000 -0.000014 -0.000006 28O 1f-2 -0.000009 0.000003 0.000000 0.000001 -0.000017 -0.000011 28O 1f+3 -0.000002 0.000003 -0.000001 0.000001 -0.000003 -0.000006 28O 1f-3 -0.000004 0.000001 -0.000007 -0.000001 0.000003 -0.000010 29O 1s 0.000000 0.000000 0.000000 -0.000001 0.000000 0.000000 29O 2s -0.000000 -0.000000 -0.000003 0.000014 -0.000001 -0.000003 29O 3s 0.000001 0.000002 0.000023 -0.000103 0.000003 0.000019 29O 4s -0.000006 -0.000010 -0.000067 0.000386 -0.000006 -0.000004 29O 5s 0.000030 0.000037 0.000158 -0.001015 0.000032 0.000062 29O 1pz -0.000001 -0.000005 0.000003 -0.000006 0.000001 0.000004 29O 1px -0.000001 -0.000002 -0.000007 0.000015 -0.000001 -0.000013 29O 1py 0.000000 0.000000 0.000001 -0.000004 -0.000001 0.000002 29O 2pz 0.000001 0.000030 -0.000007 0.000016 -0.000001 -0.000005 29O 2px 0.000004 0.000012 0.000015 -0.000041 0.000007 0.000060 29O 2py -0.000002 -0.000001 -0.000003 0.000021 0.000000 -0.000020 29O 3pz -0.000044 -0.000104 0.000019 -0.000124 0.000006 -0.000012 29O 3px -0.000022 -0.000037 -0.000050 0.000372 0.000007 0.000071 29O 3py -0.000008 -0.000011 0.000008 0.000100 -0.000022 -0.000068 29O 1dz2 0.000000 0.000000 -0.000003 0.000006 0.000001 0.000014 29O 1dxz -0.000001 -0.000001 -0.000004 0.000006 -0.000000 -0.000006 29O 1dyz -0.000001 -0.000002 -0.000001 0.000001 0.000001 0.000004 29O 1dx2y2 -0.000000 -0.000000 0.000006 -0.000007 0.000002 0.000016 29O 1dxy -0.000000 -0.000000 0.000003 -0.000006 0.000001 0.000004 29O 2dz2 0.000002 -0.000004 0.000009 -0.000014 -0.000003 -0.000042 29O 2dxz 0.000002 0.000008 0.000012 -0.000011 0.000002 0.000034 29O 2dyz 0.000005 0.000000 0.000003 -0.000002 -0.000004 -0.000017 29O 2dx2y2 0.000000 0.000001 -0.000018 0.000005 -0.000006 -0.000060 29O 2dxy 0.000001 -0.000001 -0.000008 0.000018 -0.000005 -0.000028 29O 1f0 -0.000001 -0.000001 0.000001 -0.000001 -0.000001 -0.000003 29O 1f+1 0.000000 0.000001 -0.000001 0.000002 0.000001 0.000006 29O 1f-1 -0.000001 -0.000000 -0.000001 0.000005 -0.000000 0.000002 29O 1f+2 -0.000000 -0.000002 -0.000003 0.000005 -0.000000 -0.000006 29O 1f-2 0.000001 0.000001 -0.000001 0.000005 0.000000 -0.000002 29O 1f+3 0.000000 0.000001 -0.000004 0.000006 -0.000000 -0.000006 29O 1f-3 -0.000000 -0.000001 -0.000001 0.000002 -0.000000 -0.000002 30O 1s 0.000000 0.000000 0.000000 0.000000 0.000000 0.000001 30O 2s -0.000005 -0.000000 -0.000004 -0.000001 -0.000001 -0.000009 30O 3s 0.000037 0.000003 0.000049 0.000012 0.000050 0.000107 30O 4s -0.000039 0.000005 -0.000205 -0.000011 0.000051 -0.000379 30O 5s -0.000455 -0.000122 -0.000059 0.000189 -0.000986 0.000240 30O 1pz -0.000005 -0.000002 -0.000001 0.000002 0.000017 0.000018 30O 1px 0.000007 -0.000001 -0.000009 0.000002 0.000011 0.000016 30O 1py -0.000014 -0.000001 0.000003 -0.000003 -0.000001 0.000009 30O 2pz 0.000076 0.000010 0.000029 -0.000021 -0.000144 -0.000039 30O 2px -0.000058 -0.000001 -0.000005 -0.000008 -0.000056 -0.000152 30O 2py -0.000023 0.000009 -0.000042 0.000032 0.000169 -0.000087 30O 3pz -0.000093 0.000005 0.000313 -0.000175 -0.000866 0.000023 30O 3px -0.000271 -0.000060 -0.000245 0.000157 -0.000325 0.000060 30O 3py -0.000073 -0.000082 -0.000344 0.000205 0.000589 -0.000037 30O 1dz2 -0.000011 0.000002 0.000003 0.000003 0.000027 -0.000001 30O 1dxz 0.000004 -0.000001 -0.000005 0.000001 0.000007 0.000007 30O 1dyz -0.000016 -0.000001 -0.000002 0.000001 -0.000018 -0.000003 30O 1dx2y2 -0.000009 0.000001 -0.000006 -0.000005 0.000030 0.000003 30O 1dxy -0.000008 0.000002 0.000010 0.000001 0.000012 0.000001 30O 2dz2 0.000042 -0.000006 -0.000013 -0.000008 -0.000114 0.000039 30O 2dxz 0.000002 0.000007 0.000028 -0.000013 -0.000086 -0.000020 30O 2dyz 0.000066 0.000002 0.000024 -0.000004 0.000163 0.000019 30O 2dx2y2 0.000021 -0.000010 0.000028 0.000016 -0.000055 -0.000027 30O 2dxy 0.000008 -0.000006 -0.000046 0.000008 0.000025 -0.000036 30O 1f0 0.000007 -0.000001 -0.000002 -0.000002 -0.000006 -0.000004 30O 1f+1 0.000004 0.000000 -0.000005 -0.000001 -0.000005 0.000012 30O 1f-1 -0.000002 0.000002 -0.000001 0.000000 0.000033 0.000010 30O 1f+2 0.000012 0.000002 -0.000003 -0.000001 0.000005 0.000001 30O 1f-2 0.000008 -0.000000 0.000001 -0.000000 -0.000002 -0.000002 30O 1f+3 -0.000011 0.000002 -0.000005 -0.000000 0.000012 0.000001 30O 1f-3 0.000009 0.000001 0.000004 0.000001 -0.000010 0.000005 31O 1s -0.000000 -0.000000 -0.000000 -0.000000 -0.000001 -0.000000 31O 2s 0.000000 0.000005 0.000001 0.000004 0.000009 0.000000 31O 3s -0.000003 -0.000036 -0.000010 -0.000050 -0.000107 -0.000047 31O 4s -0.000005 0.000039 0.000001 0.000205 0.000377 -0.000060 31O 5s 0.000126 0.000453 -0.000190 0.000051 -0.000218 0.000992 31O 1pz -0.000002 -0.000006 0.000002 -0.000001 0.000018 0.000016 31O 1px -0.000001 0.000007 0.000002 -0.000008 0.000016 0.000011 31O 1py -0.000001 -0.000014 -0.000003 0.000003 0.000009 -0.000001 31O 2pz 0.000011 0.000076 -0.000022 0.000028 -0.000042 -0.000144 31O 2px -0.000002 -0.000058 -0.000008 -0.000005 -0.000153 -0.000052 31O 2py 0.000009 -0.000023 0.000034 -0.000040 -0.000083 0.000172 31O 3pz 0.000004 -0.000093 -0.000190 0.000306 0.000005 -0.000870 31O 3px -0.000062 -0.000269 0.000167 -0.000238 0.000053 -0.000326 31O 3py -0.000083 -0.000072 0.000221 -0.000334 -0.000025 0.000596 31O 1dz2 -0.000002 0.000011 -0.000003 -0.000004 0.000001 -0.000027 31O 1dxz 0.000001 -0.000004 -0.000002 0.000005 -0.000008 -0.000007 31O 1dyz 0.000001 0.000016 -0.000001 0.000002 0.000003 0.000018 31O 1dx2y2 -0.000001 0.000009 0.000004 0.000006 -0.000004 -0.000030 31O 1dxy -0.000002 0.000008 -0.000000 -0.000010 -0.000001 -0.000012 31O 2dz2 0.000006 -0.000042 0.000007 0.000013 -0.000037 0.000114 31O 2dxz -0.000007 -0.000002 0.000014 -0.000028 0.000022 0.000085 31O 2dyz -0.000003 -0.000066 0.000005 -0.000024 -0.000022 -0.000163 31O 2dx2y2 0.000009 -0.000022 -0.000015 -0.000029 0.000028 0.000054 31O 2dxy 0.000006 -0.000008 -0.000010 0.000046 0.000035 -0.000026 31O 1f0 -0.000000 0.000007 -0.000002 -0.000002 -0.000004 -0.000006 31O 1f+1 0.000000 0.000004 -0.000001 -0.000005 0.000012 -0.000005 31O 1f-1 0.000002 -0.000002 0.000000 -0.000001 0.000010 0.000033 31O 1f+2 0.000002 0.000012 -0.000001 -0.000003 0.000001 0.000005 31O 1f-2 -0.000000 0.000008 -0.000001 0.000001 -0.000002 -0.000002 31O 1f+3 0.000002 -0.000011 -0.000000 -0.000005 0.000002 0.000012 31O 1f-3 0.000002 0.000009 0.000001 0.000004 0.000005 -0.000010 32O 1s -0.000000 -0.000000 0.000001 -0.000000 -0.000000 -0.000000 32O 2s 0.000000 0.000000 -0.000014 0.000002 0.000003 0.000000 32O 3s -0.000002 -0.000001 0.000104 -0.000018 -0.000019 -0.000003 32O 4s 0.000009 0.000005 -0.000389 0.000048 0.000003 0.000006 32O 5s -0.000038 -0.000031 0.001020 -0.000109 -0.000057 -0.000030 32O 1pz -0.000005 -0.000001 -0.000006 0.000002 0.000004 0.000001 32O 1px -0.000002 -0.000001 0.000015 -0.000006 -0.000013 -0.000001 32O 1py 0.000000 0.000000 -0.000004 0.000001 0.000002 -0.000001 32O 2pz 0.000030 0.000001 0.000016 -0.000006 -0.000002 -0.000001 32O 2px 0.000012 0.000005 -0.000042 0.000013 0.000060 0.000006 32O 2py -0.000001 -0.000002 0.000021 -0.000001 -0.000019 0.000001 32O 3pz -0.000104 -0.000043 -0.000124 0.000012 -0.000009 0.000007 32O 3px -0.000036 -0.000021 0.000373 -0.000033 0.000072 0.000006 32O 3py -0.000012 -0.000008 0.000100 0.000013 -0.000066 -0.000020 32O 1dz2 -0.000000 -0.000000 -0.000006 0.000003 -0.000014 -0.000001 32O 1dxz 0.000001 0.000001 -0.000007 0.000004 0.000006 0.000000 32O 1dyz 0.000002 0.000001 -0.000001 0.000001 -0.000004 -0.000001 32O 1dx2y2 0.000000 0.000000 0.000007 -0.000006 -0.000016 -0.000001 32O 1dxy 0.000000 0.000000 0.000006 -0.000002 -0.000004 -0.000001 32O 2dz2 0.000004 -0.000002 0.000014 -0.000008 0.000043 0.000002 32O 2dxz -0.000008 -0.000002 0.000011 -0.000012 -0.000035 -0.000002 32O 2dyz 0.000000 -0.000005 0.000003 -0.000003 0.000018 0.000004 32O 2dx2y2 -0.000001 0.000000 -0.000006 0.000018 0.000060 0.000005 32O 2dxy 0.000001 -0.000001 -0.000018 0.000007 0.000029 0.000004 32O 1f0 -0.000001 -0.000001 -0.000001 0.000001 -0.000003 -0.000001 32O 1f+1 0.000001 0.000000 0.000002 -0.000001 0.000007 0.000001 32O 1f-1 -0.000000 -0.000001 0.000006 -0.000000 0.000002 -0.000000 32O 1f+2 -0.000002 -0.000000 0.000005 -0.000002 -0.000006 -0.000000 32O 1f-2 0.000001 0.000001 0.000005 -0.000001 -0.000002 0.000000 32O 1f+3 0.000001 0.000000 0.000006 -0.000003 -0.000006 0.000000 32O 1f-3 -0.000001 -0.000000 0.000002 -0.000001 -0.000002 -0.000000 33O 1s -0.000000 -0.000000 -0.000000 -0.000000 0.000001 0.000000 33O 2s 0.000000 0.000008 0.000001 0.000003 -0.000009 -0.000002 33O 3s -0.000005 -0.000061 -0.000007 -0.000046 0.000098 0.000047 33O 4s -0.000001 0.000077 -0.000011 0.000188 -0.000259 0.000016 33O 5s 0.000213 0.000697 -0.000220 0.000188 -0.000042 -0.000292 33O 1pz -0.000002 0.000007 0.000004 -0.000004 0.000005 -0.000003 33O 1px -0.000001 0.000008 0.000000 -0.000006 -0.000012 0.000009 33O 1py 0.000000 0.000017 0.000002 -0.000005 -0.000029 -0.000018 33O 2pz 0.000006 0.000105 -0.000043 0.000061 -0.000072 0.000182 33O 2px -0.000005 -0.000103 0.000008 -0.000028 0.000122 -0.000071 33O 2py -0.000007 -0.000008 -0.000024 0.000026 0.000131 0.000123 33O 3pz 0.000086 -0.000027 -0.000233 0.000335 0.000149 0.000540 33O 3px -0.000120 -0.000404 0.000208 -0.000310 -0.000002 -0.000181 33O 3py 0.000043 -0.000044 -0.000066 0.000105 0.000061 0.000791 33O 1dz2 -0.000001 -0.000011 -0.000002 -0.000006 -0.000003 -0.000030 33O 1dxz 0.000003 -0.000004 -0.000001 0.000009 0.000005 -0.000028 33O 1dyz 0.000002 -0.000032 0.000001 0.000001 0.000004 0.000016 33O 1dx2y2 -0.000002 0.000002 0.000004 0.000001 -0.000004 -0.000016 33O 1dxy 0.000001 -0.000008 0.000003 0.000008 0.000011 0.000000 33O 2dz2 0.000000 0.000039 0.000007 0.000032 0.000004 0.000083 33O 2dxz -0.000014 -0.000026 0.000015 -0.000054 0.000014 0.000063 33O 2dyz -0.000009 0.000109 0.000002 0.000007 -0.000005 -0.000149 33O 2dx2y2 0.000012 0.000019 -0.000018 0.000003 -0.000013 0.000122 33O 2dxy 0.000000 0.000022 -0.000005 -0.000035 -0.000073 -0.000012 33O 1f0 -0.000003 -0.000003 -0.000000 -0.000002 -0.000002 -0.000024 33O 1f+1 0.000002 -0.000004 -0.000001 -0.000006 0.000002 -0.000023 33O 1f-1 -0.000001 -0.000023 0.000001 0.000002 0.000001 0.000005 33O 1f+2 0.000001 0.000020 0.000000 0.000002 -0.000006 -0.000014 33O 1f-2 0.000002 -0.000009 0.000001 0.000000 -0.000011 -0.000017 33O 1f+3 0.000002 -0.000002 0.000001 -0.000001 -0.000006 -0.000003 33O 1f-3 0.000001 -0.000004 -0.000001 -0.000007 -0.000010 0.000003 34O 1s -0.000000 -0.000000 0.000000 0.000000 0.000000 0.000001 34O 2s 0.000005 0.000000 -0.000004 -0.000001 -0.000003 -0.000009 34O 3s -0.000040 -0.000003 0.000049 0.000012 0.000070 0.000107 34O 4s 0.000053 -0.000005 -0.000199 -0.000008 -0.000018 -0.000359 34O 5s 0.000467 0.000133 -0.000184 0.000185 -0.000865 0.000133 34O 1pz -0.000002 -0.000002 0.000006 -0.000002 -0.000021 -0.000026 34O 1px -0.000004 -0.000000 -0.000003 -0.000001 -0.000005 0.000007 34O 1py -0.000016 -0.000001 -0.000007 0.000003 0.000004 -0.000003 34O 2pz 0.000027 0.000009 -0.000024 0.000017 0.000135 0.000136 34O 2px 0.000102 0.000003 -0.000059 0.000018 0.000095 -0.000131 34O 2py 0.000002 0.000009 0.000045 -0.000034 -0.000166 0.000028 34O 3pz -0.000234 -0.000048 -0.000004 0.000023 0.000866 -0.000098 34O 3px 0.000205 0.000086 -0.000458 0.000274 0.000368 0.000005 34O 3py -0.000002 -0.000045 0.000181 -0.000114 -0.000452 -0.000034 34O 1dz2 0.000009 -0.000001 -0.000002 0.000001 0.000030 0.000002 34O 1dxz 0.000001 -0.000001 0.000005 0.000004 0.000005 -0.000004 34O 1dyz 0.000016 -0.000000 0.000005 0.000003 -0.000016 -0.000004 34O 1dx2y2 0.000010 -0.000003 0.000006 -0.000002 0.000037 -0.000003 34O 1dxy 0.000010 -0.000000 -0.000009 -0.000003 -0.000004 0.000001 34O 2dz2 -0.000041 0.000000 0.000022 -0.000008 -0.000123 0.000010 34O 2dxz -0.000010 0.000002 -0.000024 -0.000012 -0.000067 0.000050 34O 2dyz -0.000055 0.000001 -0.000014 -0.000001 0.000158 0.000016 34O 2dx2y2 -0.000006 0.000015 -0.000037 0.000017 -0.000076 -0.000016 34O 2dxy -0.000045 0.000005 0.000052 0.000005 0.000068 0.000010 34O 1f0 0.000012 0.000001 0.000005 0.000002 -0.000001 -0.000009 34O 1f+1 -0.000001 -0.000000 0.000003 0.000001 0.000008 0.000001 34O 1f-1 -0.000003 0.000000 -0.000000 0.000001 -0.000023 -0.000001 34O 1f+2 0.000008 -0.000002 -0.000001 0.000001 0.000013 0.000011 34O 1f-2 0.000008 0.000001 -0.000004 -0.000000 -0.000016 -0.000003 34O 1f+3 -0.000011 -0.000002 0.000001 0.000001 -0.000005 0.000000 34O 1f-3 0.000009 -0.000002 -0.000006 -0.000000 0.000025 0.000001 35O 1s -0.000000 -0.000000 0.000000 0.000000 -0.000000 -0.000001 35O 2s 0.000008 0.000001 -0.000004 -0.000002 0.000001 0.000008 35O 3s -0.000061 -0.000005 0.000053 0.000014 -0.000038 -0.000096 35O 4s 0.000077 -0.000006 -0.000214 -0.000021 -0.000046 0.000325 35O 5s 0.000742 0.000174 -0.000037 0.000161 0.000489 -0.000112 35O 1pz 0.000013 -0.000001 0.000007 -0.000003 0.000004 -0.000002 35O 1px -0.000009 -0.000000 -0.000006 0.000001 -0.000003 -0.000013 35O 1py 0.000014 0.000001 0.000002 -0.000002 0.000019 0.000020 35O 2pz 0.000025 -0.000002 -0.000036 0.000031 -0.000143 0.000017 35O 2px 0.000145 0.000001 -0.000023 0.000002 -0.000109 0.000152 35O 2py 0.000037 -0.000011 -0.000033 0.000018 -0.000162 -0.000057 35O 3pz -0.000243 0.000006 -0.000182 0.000105 -0.000318 0.000018 35O 3px 0.000325 0.000116 -0.000425 0.000245 -0.000029 0.000025 35O 3py 0.000098 0.000085 -0.000256 0.000157 -0.000831 0.000096 35O 1dz2 -0.000013 0.000002 -0.000007 0.000000 0.000042 -0.000000 35O 1dxz 0.000000 -0.000002 0.000009 0.000004 0.000015 0.000000 35O 1dyz -0.000031 0.000002 -0.000002 -0.000001 -0.000017 -0.000006 35O 1dx2y2 0.000004 -0.000003 -0.000000 -0.000004 0.000010 -0.000001 35O 1dxy -0.000009 -0.000001 0.000006 -0.000000 0.000001 0.000003 35O 2dz2 0.000023 -0.000008 0.000029 -0.000008 -0.000098 -0.000014 35O 2dxz 0.000005 -0.000001 -0.000046 -0.000008 -0.000041 0.000007 35O 2dyz 0.000105 -0.000008 -0.000003 -0.000002 0.000163 0.000029 35O 2dx2y2 0.000014 0.000015 -0.000004 0.000017 -0.000114 0.000047 35O 2dxy 0.000063 0.000004 -0.000039 0.000007 -0.000015 -0.000007 35O 1f0 0.000001 0.000002 0.000004 0.000000 0.000027 0.000001 35O 1f+1 -0.000007 -0.000002 0.000004 0.000001 0.000017 -0.000001 35O 1f-1 -0.000025 0.000000 -0.000002 -0.000002 0.000006 0.000003 35O 1f+2 0.000015 -0.000002 -0.000006 -0.000000 0.000017 0.000002 35O 1f-2 -0.000007 -0.000003 -0.000001 -0.000000 -0.000001 -0.000001 35O 1f+3 -0.000004 -0.000003 -0.000003 -0.000001 -0.000007 -0.000014 35O 1f-3 -0.000008 -0.000000 0.000003 0.000001 -0.000001 0.000001 30 31 32 33 34 35 -11.33962 -11.33957 -11.33617 -11.33611 -11.33367 -11.33361 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s 0.000000 0.000016 -0.000000 -0.000013 -0.000000 0.000043 0Rh 2s 0.000002 0.000019 -0.000003 0.000065 -0.000012 -0.000252 0Rh 3s 0.000003 0.000097 -0.000003 -0.000025 -0.000011 0.000057 0Rh 4s -0.000009 -0.000094 0.000014 -0.000134 0.000050 0.000561 0Rh 5s 0.000021 -0.000009 -0.000038 0.000047 -0.000130 -0.000314 0Rh 6s -0.000050 0.000092 0.000091 0.000000 0.000305 0.000176 0Rh 7s 0.000183 -0.000147 -0.000185 -0.000046 -0.001268 -0.000946 0Rh 8s 0.000036 0.000017 -0.000113 0.000604 -0.000327 0.001044 0Rh 1pz -0.000001 0.000000 0.000003 -0.000059 0.000003 0.000082 0Rh 1px -0.000001 -0.000012 0.000001 0.000007 0.000004 -0.000040 0Rh 1py -0.000000 0.000008 0.000004 -0.000072 -0.000003 -0.000062 0Rh 2pz 0.000003 0.000001 -0.000013 0.000140 -0.000013 -0.000203 0Rh 2px 0.000004 0.000032 -0.000006 -0.000022 -0.000020 0.000113 0Rh 2py 0.000001 -0.000019 -0.000020 0.000174 0.000013 0.000155 0Rh 3pz -0.000014 -0.000022 0.000068 0.000097 0.000057 -0.000068 0Rh 3px -0.000023 -0.000009 0.000041 0.000039 0.000140 -0.000111 0Rh 3py -0.000008 0.000004 0.000113 0.000097 -0.000060 0.000031 0Rh 4pz 0.000027 0.000041 -0.000147 -0.000189 -0.000105 0.000177 0Rh 4px 0.000064 0.000014 -0.000114 -0.000063 -0.000388 0.000169 0Rh 4py 0.000021 -0.000013 -0.000259 -0.000221 0.000122 -0.000120 0Rh 5pz -0.000011 -0.000063 0.000108 0.000313 0.000033 -0.000352 0Rh 5px -0.000084 -0.000029 0.000148 0.000090 0.000509 -0.000202 0Rh 5py -0.000026 0.000016 0.000229 0.000426 -0.000073 0.000303 0Rh 6pz -0.000242 0.000265 0.001038 -0.001359 0.000928 0.001677 0Rh 6px -0.000201 0.000079 0.000263 -0.000317 0.001287 0.000437 0Rh 6py -0.000010 0.000023 0.001365 -0.001791 -0.000885 -0.001661 0Rh 1dz2 0.000245 0.023029 0.000210 -0.264283 0.001529 0.171162 0Rh 1dxz -0.002802 -0.256760 -0.000373 0.427851 -0.005044 -0.527910 0Rh 1dyz 0.007778 0.706998 -0.000012 -0.024601 -0.003198 -0.332254 0Rh 1dx2y2 -0.000882 -0.078923 0.000169 -0.187094 -0.000425 -0.054465 0Rh 1dxy 0.002268 0.206909 -0.000428 0.572498 0.004265 0.441099 0Rh 2dz2 0.000091 0.008725 0.000079 -0.096592 0.000567 0.062646 0Rh 2dxz -0.001024 -0.093850 -0.000131 0.156312 -0.001831 -0.193138 0Rh 2dyz 0.002840 0.259342 -0.000005 -0.009015 -0.001171 -0.121808 0Rh 2dx2y2 -0.000319 -0.028817 0.000058 -0.068617 -0.000173 -0.020023 0Rh 2dxy 0.000830 0.075968 -0.000157 0.209562 0.001555 0.161688 0Rh 3dz2 0.000026 0.001840 0.000011 -0.018730 0.000088 0.012096 0Rh 3dxz -0.000198 -0.018261 -0.000044 0.030419 -0.000402 -0.037509 0Rh 3dyz 0.000598 0.050729 0.000000 -0.001692 -0.000233 -0.023627 0Rh 3dx2y2 -0.000071 -0.005535 0.000023 -0.013274 0.000015 -0.003755 0Rh 3dxy 0.000171 0.014886 -0.000034 0.040601 0.000329 0.031252 0Rh 4dz2 -0.000024 -0.000637 -0.000011 0.001906 0.000011 -0.001109 0Rh 4dxz 0.000016 0.002011 0.000065 -0.003375 0.000154 0.004242 0Rh 4dyz -0.000177 -0.006340 -0.000010 0.000135 0.000049 0.002657 0Rh 4dx2y2 0.000017 0.000349 -0.000024 0.001506 -0.000064 0.000155 0Rh 4dxy -0.000049 -0.001982 0.000051 -0.004362 -0.000111 -0.003422 0Rh 5dz2 0.000031 0.001272 0.000152 -0.000852 0.000206 0.000238 0Rh 5dxz -0.000005 -0.001214 -0.000213 0.002039 -0.000206 -0.002722 0Rh 5dyz 0.000348 0.005478 0.000048 0.000059 -0.000109 -0.001714 0Rh 5dx2y2 0.000053 0.000322 -0.000035 -0.001009 -0.000276 0.000435 0Rh 5dxy 0.000132 0.001943 -0.000360 0.002353 0.000205 0.001983 0Rh 1f0 0.000001 0.000004 -0.000003 0.000006 -0.000006 -0.000017 0Rh 1f+1 0.000008 -0.000009 -0.000033 0.000010 -0.000052 -0.000006 0Rh 1f-1 0.000010 0.000011 0.000006 -0.000001 0.000000 -0.000003 0Rh 1f+2 0.000008 0.000009 0.000018 -0.000011 -0.000021 0.000011 0Rh 1f-2 -0.000018 -0.000016 -0.000011 -0.000005 0.000009 0.000014 0Rh 1f+3 0.000003 -0.000001 0.000003 -0.000009 -0.000053 0.000005 0Rh 1f-3 0.000013 0.000009 -0.000053 0.000017 0.000006 0.000012 1Rh 1s -0.000016 0.000000 0.000013 0.000000 0.000043 -0.000001 1Rh 2s -0.000020 -0.000001 -0.000066 0.000003 -0.000252 -0.000007 1Rh 3s -0.000097 -0.000001 0.000025 0.000003 0.000056 -0.000012 1Rh 4s 0.000096 0.000007 0.000135 -0.000013 0.000562 0.000040 1Rh 5s 0.000007 -0.000022 -0.000049 0.000038 -0.000316 -0.000124 1Rh 6s -0.000091 0.000053 0.000001 -0.000090 0.000182 0.000302 1Rh 7s 0.000141 -0.000189 0.000040 0.000180 -0.000974 -0.001251 1Rh 8s -0.000017 -0.000033 -0.000593 0.000106 0.001057 -0.000339 1Rh 1pz 0.000000 -0.000001 -0.000060 0.000003 -0.000082 -0.000002 1Rh 1px -0.000012 -0.000001 0.000007 0.000001 0.000040 -0.000005 1Rh 1py 0.000007 -0.000000 -0.000072 0.000004 0.000062 0.000002 1Rh 2pz 0.000001 0.000003 0.000141 -0.000012 0.000203 0.000009 1Rh 2px 0.000032 0.000003 -0.000022 -0.000006 -0.000113 0.000023 1Rh 2py -0.000018 0.000002 0.000174 -0.000020 -0.000155 -0.000010 1Rh 3pz -0.000022 -0.000014 0.000097 0.000068 0.000067 -0.000058 1Rh 3px -0.000009 -0.000023 0.000039 0.000041 0.000108 -0.000142 1Rh 3py 0.000004 -0.000008 0.000097 0.000113 -0.000030 0.000060 1Rh 4pz 0.000041 0.000026 -0.000189 -0.000148 -0.000174 0.000109 1Rh 4px 0.000015 0.000064 -0.000062 -0.000113 -0.000162 0.000391 1Rh 4py -0.000012 0.000021 -0.000221 -0.000259 0.000118 -0.000125 1Rh 5pz -0.000063 -0.000010 0.000314 0.000109 0.000351 -0.000040 1Rh 5px -0.000031 -0.000084 0.000089 0.000147 0.000193 -0.000512 1Rh 5py 0.000014 -0.000027 0.000425 0.000230 -0.000303 0.000078 1Rh 6pz 0.000257 -0.000248 -0.001357 0.001035 -0.001693 -0.000902 1Rh 6px 0.000077 -0.000203 -0.000312 0.000260 -0.000465 -0.001281 1Rh 6py 0.000025 -0.000012 -0.001795 0.001366 0.001679 0.000848 1Rh 1dz2 -0.024009 0.000272 0.264415 0.000211 0.170100 -0.001735 1Rh 1dxz 0.256757 -0.002842 -0.429042 -0.000309 -0.526999 0.005043 1Rh 1dyz -0.707046 0.007759 0.023331 0.000051 -0.332398 0.003159 1Rh 1dx2y2 0.078536 -0.000848 0.187059 0.000130 -0.054478 0.000619 1Rh 1dxy -0.206783 0.002277 -0.571610 -0.000485 0.442483 -0.004186 1Rh 2dz2 -0.009084 0.000105 0.096640 0.000075 0.062258 -0.000627 1Rh 2dxz 0.093849 -0.001038 -0.156748 -0.000118 -0.192806 0.001860 1Rh 2dyz -0.259359 0.002859 0.008549 0.000019 -0.121862 0.001160 1Rh 2dx2y2 0.028676 -0.000313 0.068604 0.000051 -0.020028 0.000211 1Rh 2dxy -0.075922 0.000839 -0.209236 -0.000178 0.162195 -0.001543 1Rh 3dz2 -0.001910 0.000015 0.018739 0.000018 0.012020 -0.000143 1Rh 3dxz 0.018260 -0.000203 -0.030503 -0.000004 -0.037445 0.000314 1Rh 3dyz -0.050733 0.000517 0.001601 0.000002 -0.023638 0.000219 1Rh 3dx2y2 0.005508 -0.000050 0.013272 -0.000002 -0.003754 0.000087 1Rh 3dxy -0.014877 0.000156 -0.040538 -0.000031 0.031350 -0.000270 1Rh 4dz2 0.000644 0.000009 -0.001907 0.000008 -0.001100 0.000032 1Rh 4dxz -0.002010 0.000028 0.003385 -0.000059 0.004237 0.000073 1Rh 4dyz 0.006343 0.000038 -0.000124 0.000009 0.002658 -0.000001 1Rh 4dx2y2 -0.000347 -0.000010 -0.001506 0.000021 0.000153 -0.000067 1Rh 4dxy 0.001981 0.000005 0.004356 -0.000044 -0.003434 -0.000045 1Rh 5dz2 -0.001276 -0.000002 0.000852 -0.000151 0.000237 0.000202 1Rh 5dxz 0.001214 -0.000022 -0.002046 0.000208 -0.002720 -0.000154 1Rh 5dyz -0.005487 -0.000228 -0.000068 -0.000048 -0.001717 -0.000077 1Rh 5dx2y2 -0.000323 -0.000047 0.001009 0.000037 0.000430 -0.000285 1Rh 5dxy -0.001945 -0.000089 -0.002351 0.000357 0.001991 0.000166 1Rh 1f0 0.000004 0.000001 0.000006 -0.000003 0.000017 0.000005 1Rh 1f+1 -0.000008 0.000008 0.000010 -0.000032 0.000008 0.000052 1Rh 1f-1 0.000011 0.000009 -0.000001 0.000006 0.000003 -0.000001 1Rh 1f+2 0.000009 0.000007 -0.000012 0.000018 -0.000010 0.000021 1Rh 1f-2 -0.000016 -0.000017 -0.000005 -0.000011 -0.000014 -0.000009 1Rh 1f+3 -0.000001 0.000003 -0.000009 0.000003 -0.000004 0.000053 1Rh 1f-3 0.000010 0.000013 0.000017 -0.000053 -0.000012 -0.000006 2C 1s 0.000000 0.000001 0.000001 0.000001 0.000000 -0.000000 2C 2s -0.000001 -0.000003 -0.000006 -0.000007 -0.000002 0.000002 2C 3s 0.000395 -0.000306 -0.000328 -0.000347 -0.000106 0.000064 2C 4s -0.002384 0.001849 0.002164 0.002375 0.000646 -0.000504 2C 5s 0.001232 0.000338 -0.003483 -0.002790 -0.000844 0.000952 2C 1pz 0.000033 -0.000027 -0.000025 -0.000026 -0.000016 0.000005 2C 1px 0.000011 0.000011 -0.000015 -0.000004 -0.000009 -0.000002 2C 1py 0.000032 -0.000031 -0.000014 -0.000022 -0.000004 -0.000010 2C 2pz -0.001242 0.000844 0.001177 0.001341 0.000412 -0.000247 2C 2px -0.000218 0.000147 0.000428 0.000232 0.000234 -0.000082 2C 2py -0.000856 0.000700 0.000778 0.000905 0.000263 -0.000078 2C 3pz 0.000147 0.000258 -0.000617 -0.000640 -0.000006 0.000155 2C 3px -0.000256 0.000074 -0.000492 -0.000021 -0.000279 0.000035 2C 3py 0.000013 0.000029 -0.000396 -0.000346 -0.000307 0.000207 2C 1dz2 -0.000034 0.000012 0.000017 0.000036 -0.000008 0.000007 2C 1dxz -0.000000 0.000021 0.000023 0.000012 0.000011 -0.000004 2C 1dyz -0.000034 0.000030 0.000030 0.000033 0.000015 -0.000015 2C 1dx2y2 0.000013 0.000006 -0.000010 -0.000019 -0.000010 0.000007 2C 1dxy -0.000001 0.000016 0.000012 0.000001 0.000004 -0.000001 2C 2dz2 -0.000231 0.000190 0.000285 0.000297 0.000167 -0.000098 2C 2dxz -0.000175 0.000072 0.000071 0.000094 0.000005 -0.000002 2C 2dyz -0.000461 0.000293 0.000496 0.000510 0.000161 -0.000046 2C 2dx2y2 0.000138 -0.000142 -0.000088 -0.000132 0.000031 -0.000005 2C 2dxy -0.000120 0.000012 0.000106 0.000087 0.000051 -0.000034 2C 1f0 -0.000002 0.000007 0.000011 0.000024 0.000014 -0.000008 2C 1f+1 -0.000020 0.000007 0.000040 0.000019 0.000015 -0.000007 2C 1f-1 -0.000073 0.000053 0.000061 0.000073 0.000017 -0.000014 2C 1f+2 0.000040 -0.000037 -0.000044 -0.000052 -0.000013 0.000007 2C 1f-2 -0.000028 0.000027 0.000037 0.000016 0.000015 -0.000001 2C 1f+3 -0.000010 0.000003 0.000010 0.000001 0.000007 0.000003 2C 1f-3 -0.000006 0.000007 0.000015 0.000018 0.000006 -0.000003 3C 1s -0.000000 -0.000001 -0.000000 -0.000000 0.000001 -0.000001 3C 2s 0.000002 0.000003 0.000002 0.000001 -0.000006 0.000007 3C 3s -0.000311 0.000365 0.000066 0.000159 -0.000410 0.000207 3C 4s 0.001860 -0.002251 -0.000499 -0.000995 0.002654 -0.001537 3C 5s -0.000615 0.000465 0.001422 0.001109 -0.002817 0.003230 3C 1pz -0.000024 0.000036 -0.000007 -0.000000 -0.000017 0.000004 3C 1px -0.000017 0.000003 0.000004 0.000001 -0.000019 0.000001 3C 1py 0.000023 -0.000027 -0.000006 -0.000018 0.000041 -0.000011 3C 2pz 0.000634 -0.000747 -0.000094 -0.000237 0.000778 -0.000464 3C 2px 0.000295 -0.000452 -0.000169 -0.000146 0.000728 -0.000298 3C 2py -0.000918 0.001038 0.000307 0.000574 -0.001539 0.000863 3C 3pz -0.000184 0.000090 0.000294 0.000176 -0.000089 0.000371 3C 3px 0.000333 0.000061 0.000345 -0.000004 -0.000497 0.000177 3C 3py -0.000037 0.000121 -0.000199 -0.000142 0.000534 -0.000757 3C 1dz2 -0.000006 0.000018 -0.000010 -0.000012 -0.000010 0.000004 3C 1dxz 0.000005 -0.000007 -0.000009 -0.000009 0.000018 -0.000012 3C 1dyz -0.000032 0.000026 0.000011 0.000015 -0.000027 0.000019 3C 1dx2y2 -0.000028 0.000013 0.000000 0.000009 -0.000024 0.000024 3C 1dxy 0.000001 0.000035 0.000011 0.000006 -0.000038 0.000010 3C 2dz2 -0.000049 0.000013 0.000101 0.000102 -0.000115 0.000061 3C 2dxz 0.000143 -0.000131 0.000016 -0.000041 0.000142 -0.000068 3C 2dyz -0.000254 0.000328 0.000092 0.000189 -0.000572 0.000316 3C 2dx2y2 -0.000179 0.000274 0.000090 0.000116 -0.000298 0.000182 3C 2dxy -0.000251 0.000173 0.000038 0.000075 -0.000289 0.000155 3C 1f0 -0.000032 0.000036 0.000012 0.000010 -0.000035 0.000022 3C 1f+1 -0.000004 -0.000010 -0.000001 -0.000003 0.000014 -0.000008 3C 1f-1 -0.000013 0.000007 -0.000010 0.000003 -0.000006 0.000008 3C 1f+2 -0.000039 0.000053 0.000006 0.000027 -0.000046 0.000041 3C 1f-2 -0.000032 0.000044 0.000012 0.000016 -0.000066 0.000028 3C 1f+3 0.000031 -0.000031 -0.000010 -0.000019 0.000063 -0.000025 3C 1f-3 -0.000007 0.000017 0.000010 0.000017 -0.000026 0.000031 4C 1s -0.000005 0.000004 0.000003 0.000003 0.000001 -0.000001 4C 2s 0.000028 -0.000026 -0.000021 -0.000021 -0.000007 0.000005 4C 3s -0.000759 0.000659 0.000518 0.000441 0.000300 0.000018 4C 4s 0.002921 -0.002494 -0.001833 -0.001283 -0.001372 -0.000443 4C 5s -0.000043 -0.000724 0.001657 0.001232 -0.000034 -0.001024 4C 1pz 0.000035 -0.000039 -0.000066 -0.000062 -0.000010 0.000023 4C 1px 0.000037 0.000029 0.000016 -0.000048 -0.000002 0.000023 4C 1py 0.000028 -0.000009 -0.000037 -0.000054 0.000001 0.000013 4C 2pz -0.000994 0.000686 0.001193 0.001445 0.000076 -0.000339 4C 2px -0.000292 0.000108 0.000322 0.000463 0.000388 -0.000495 4C 2py -0.000655 0.000405 0.000837 0.001007 0.000194 -0.000383 4C 3pz -0.000004 0.000903 -0.002297 -0.001534 -0.001194 0.000277 4C 3px -0.000462 -0.000177 0.000011 -0.000667 0.000098 -0.000067 4C 3py -0.000060 0.000394 -0.001472 -0.001275 -0.000419 -0.000066 4C 1dz2 -0.000039 0.000038 0.000051 0.000039 0.000009 0.000008 4C 1dxz -0.000019 0.000012 0.000005 0.000043 0.000001 -0.000008 4C 1dyz -0.000050 0.000027 0.000061 0.000067 0.000019 -0.000027 4C 1dx2y2 0.000009 -0.000010 -0.000032 -0.000020 -0.000033 0.000001 4C 1dxy 0.000002 0.000015 -0.000006 0.000036 0.000002 -0.000010 4C 2dz2 0.000343 -0.000379 -0.000595 -0.000585 -0.000280 0.000122 4C 2dxz 0.000155 0.000118 -0.000103 -0.000354 0.000228 -0.000038 4C 2dyz 0.000737 -0.000500 -0.000830 -0.000839 -0.000299 0.000197 4C 2dx2y2 0.000086 -0.000086 0.000254 0.000334 0.000141 -0.000082 4C 2dxy 0.000278 -0.000177 -0.000027 -0.000251 -0.000048 -0.000194 4C 1f0 -0.000077 0.000023 0.000046 0.000000 -0.000004 -0.000003 4C 1f+1 -0.000072 0.000112 0.000031 0.000068 0.000043 0.000007 4C 1f-1 -0.000075 0.000051 0.000045 0.000062 0.000022 0.000012 4C 1f+2 0.000105 -0.000065 -0.000080 -0.000024 -0.000043 0.000014 4C 1f-2 0.000004 0.000029 0.000022 0.000027 0.000009 -0.000030 4C 1f+3 0.000005 0.000011 -0.000025 0.000020 -0.000036 -0.000024 4C 1f-3 -0.000055 0.000043 0.000021 0.000035 0.000003 0.000007 5C 1s 0.000004 -0.000004 -0.000000 -0.000002 0.000004 -0.000002 5C 2s -0.000023 0.000028 0.000002 0.000011 -0.000027 0.000011 5C 3s 0.000620 -0.000674 -0.000096 -0.000265 0.000679 -0.000223 5C 4s -0.002393 0.002425 0.000309 0.000930 -0.002460 0.000478 5C 5s -0.000325 0.000217 -0.000382 -0.000794 0.001084 -0.001595 5C 1pz -0.000003 0.000030 0.000010 0.000003 -0.000042 0.000026 5C 1px -0.000041 -0.000008 -0.000008 0.000010 -0.000004 0.000062 5C 1py 0.000027 -0.000051 -0.000025 -0.000024 0.000064 -0.000054 5C 2pz 0.000398 -0.000514 -0.000198 -0.000288 0.000752 -0.000578 5C 2px 0.000264 -0.000444 -0.000121 -0.000134 0.000711 -0.000691 5C 2py -0.000748 0.000983 0.000323 0.000498 -0.001374 0.001066 5C 3pz 0.000133 -0.000320 0.000527 0.000135 -0.001362 0.001197 5C 3px 0.000458 0.000218 0.000084 0.000165 -0.000028 0.000912 5C 3py -0.000438 0.000524 -0.001242 -0.000507 0.001877 -0.001947 5C 1dz2 -0.000009 0.000025 -0.000008 -0.000006 0.000000 0.000016 5C 1dxz 0.000000 -0.000021 -0.000021 -0.000017 0.000017 -0.000025 5C 1dyz -0.000029 0.000037 0.000031 0.000019 -0.000067 0.000043 5C 1dx2y2 -0.000028 0.000032 0.000006 0.000009 -0.000069 0.000019 5C 1dxy -0.000027 0.000024 0.000000 0.000025 -0.000026 0.000045 5C 2dz2 0.000307 -0.000268 -0.000052 -0.000020 0.000115 -0.000084 5C 2dxz -0.000030 0.000041 0.000193 0.000078 -0.000194 0.000232 5C 2dyz 0.000460 -0.000681 -0.000254 -0.000275 0.000962 -0.000506 5C 2dx2y2 0.000039 -0.000321 -0.000089 -0.000138 0.000757 -0.000400 5C 2dxy 0.000382 -0.000129 0.000004 -0.000329 0.000399 -0.000316 5C 1f0 -0.000009 0.000005 -0.000023 0.000032 -0.000003 0.000014 5C 1f+1 0.000036 -0.000023 0.000011 -0.000032 0.000015 -0.000017 5C 1f-1 -0.000016 -0.000004 0.000019 -0.000002 0.000002 -0.000004 5C 1f+2 -0.000047 0.000017 0.000023 -0.000003 -0.000066 0.000007 5C 1f-2 -0.000057 0.000088 0.000007 0.000032 -0.000091 0.000029 5C 1f+3 0.000056 -0.000116 -0.000027 -0.000021 0.000040 -0.000055 5C 1f-3 -0.000109 0.000061 0.000005 0.000025 -0.000077 0.000004 6C 1s 0.000004 -0.000004 0.000002 0.000000 -0.000002 0.000004 6C 2s -0.000027 0.000023 -0.000012 -0.000003 0.000011 -0.000027 6C 3s 0.000660 -0.000633 0.000265 0.000095 -0.000209 0.000682 6C 4s -0.002369 0.002442 -0.000932 -0.000300 0.000424 -0.002460 6C 5s -0.000216 0.000327 0.000790 0.000396 -0.001583 0.001124 6C 1pz 0.000030 -0.000004 0.000003 0.000010 -0.000025 0.000042 6C 1px -0.000009 -0.000041 0.000010 -0.000008 -0.000062 0.000005 6C 1py -0.000050 0.000028 -0.000024 -0.000026 0.000053 -0.000065 6C 2pz -0.000505 0.000409 -0.000287 -0.000207 0.000562 -0.000765 6C 2px -0.000439 0.000274 -0.000134 -0.000117 0.000686 -0.000719 6C 2py 0.000966 -0.000768 0.000497 0.000335 -0.001039 0.001396 6C 3pz -0.000320 0.000136 0.000130 0.000519 -0.001171 0.001381 6C 3px 0.000227 0.000451 0.000165 0.000082 -0.000902 0.000048 6C 3py 0.000520 -0.000445 -0.000499 -0.001233 0.001909 -0.001910 6C 1dz2 -0.000025 0.000010 0.000006 0.000007 0.000016 0.000000 6C 1dxz 0.000021 -0.000001 0.000017 0.000021 -0.000024 0.000018 6C 1dyz -0.000036 0.000030 -0.000019 -0.000031 0.000041 -0.000067 6C 1dx2y2 -0.000031 0.000029 -0.000009 -0.000006 0.000017 -0.000069 6C 1dxy -0.000024 0.000027 -0.000025 0.000000 0.000045 -0.000026 6C 2dz2 0.000261 -0.000313 0.000020 0.000051 -0.000081 0.000117 6C 2dxz -0.000040 0.000030 -0.000078 -0.000198 0.000228 -0.000199 6C 2dyz 0.000671 -0.000474 0.000275 0.000256 -0.000487 0.000969 6C 2dx2y2 0.000320 -0.000046 0.000139 0.000094 -0.000387 0.000765 6C 2dxy 0.000121 -0.000384 0.000328 0.000001 -0.000306 0.000407 6C 1f0 0.000005 -0.000010 0.000032 -0.000023 -0.000014 0.000004 6C 1f+1 -0.000023 0.000036 -0.000032 0.000011 0.000016 -0.000016 6C 1f-1 -0.000004 -0.000016 -0.000002 0.000019 0.000004 -0.000002 6C 1f+2 0.000016 -0.000047 -0.000003 0.000023 -0.000006 0.000066 6C 1f-2 0.000086 -0.000059 0.000032 0.000006 -0.000027 0.000091 6C 1f+3 -0.000114 0.000058 -0.000020 -0.000027 0.000054 -0.000041 6C 1f-3 0.000059 -0.000110 0.000025 0.000005 -0.000002 0.000077 7C 1s -0.000004 0.000005 -0.000003 -0.000003 -0.000001 0.000001 7C 2s 0.000025 -0.000029 0.000021 0.000021 0.000005 -0.000007 7C 3s -0.000643 0.000773 -0.000439 -0.000519 0.000024 0.000301 7C 4s 0.002431 -0.002975 0.001268 0.001834 -0.000469 -0.001367 7C 5s 0.000732 0.000027 -0.001238 -0.001668 -0.001014 -0.000012 7C 1pz -0.000038 0.000036 -0.000062 -0.000066 -0.000023 0.000011 7C 1px 0.000030 0.000036 -0.000048 0.000016 -0.000023 0.000002 7C 1py -0.000008 0.000029 -0.000054 -0.000038 -0.000013 -0.000000 7C 2pz 0.000661 -0.001003 0.001441 0.001194 0.000335 -0.000090 7C 2px 0.000097 -0.000296 0.000469 0.000319 0.000488 -0.000398 7C 2py 0.000390 -0.000664 0.001014 0.000842 0.000379 -0.000207 7C 3pz 0.000912 -0.000021 -0.001520 -0.002293 -0.000253 0.001197 7C 3px -0.000191 -0.000459 -0.000656 0.000013 0.000072 -0.000097 7C 3py 0.000398 -0.000065 -0.001267 -0.001473 0.000077 0.000418 7C 1dz2 -0.000037 0.000040 -0.000039 -0.000051 0.000008 0.000009 7C 1dxz -0.000011 0.000020 -0.000043 -0.000005 -0.000007 0.000001 7C 1dyz -0.000026 0.000050 -0.000068 -0.000061 -0.000026 0.000020 7C 1dx2y2 0.000010 -0.000009 0.000020 0.000031 -0.000000 -0.000033 7C 1dxy -0.000015 -0.000002 -0.000037 0.000006 -0.000010 0.000002 7C 2dz2 0.000369 -0.000349 0.000583 0.000592 0.000116 -0.000284 7C 2dxz -0.000122 -0.000150 0.000352 0.000104 -0.000035 0.000227 7C 2dyz 0.000485 -0.000748 0.000839 0.000832 0.000190 -0.000307 7C 2dx2y2 0.000083 -0.000088 -0.000337 -0.000256 -0.000079 0.000146 7C 2dxy 0.000172 -0.000280 0.000248 0.000028 -0.000196 -0.000044 7C 1f0 0.000021 -0.000077 -0.000000 0.000046 0.000003 0.000004 7C 1f+1 0.000110 -0.000074 0.000068 0.000031 -0.000008 -0.000043 7C 1f-1 0.000049 -0.000076 0.000062 0.000045 -0.000012 -0.000022 7C 1f+2 -0.000063 0.000107 -0.000024 -0.000080 -0.000013 0.000043 7C 1f-2 0.000029 0.000003 0.000027 0.000021 0.000030 -0.000010 7C 1f+3 0.000011 0.000005 0.000020 -0.000025 0.000025 0.000036 7C 1f-3 0.000043 -0.000056 0.000034 0.000021 -0.000007 -0.000003 8C 1s 0.000001 0.000000 0.000000 0.000000 -0.000001 0.000001 8C 2s -0.000003 -0.000002 -0.000001 -0.000002 0.000007 -0.000006 8C 3s -0.000357 0.000318 -0.000159 -0.000068 0.000199 -0.000414 8C 4s 0.002209 -0.001905 0.000995 0.000512 -0.001485 0.002682 8C 5s -0.000435 0.000634 -0.001099 -0.001419 0.003176 -0.002881 8C 1pz 0.000036 -0.000025 -0.000000 -0.000007 -0.000004 0.000017 8C 1px 0.000003 -0.000017 0.000001 0.000004 -0.000000 0.000019 8C 1py -0.000026 0.000024 -0.000018 -0.000006 0.000011 -0.000041 8C 2pz -0.000732 0.000648 -0.000237 -0.000099 0.000448 -0.000787 8C 2px -0.000445 0.000304 -0.000146 -0.000172 0.000285 -0.000734 8C 2py 0.001019 -0.000939 0.000573 0.000314 -0.000832 0.001553 8C 3pz 0.000084 -0.000184 0.000175 0.000295 -0.000369 0.000096 8C 3px 0.000063 0.000334 -0.000004 0.000344 -0.000170 0.000502 8C 3py 0.000121 -0.000035 -0.000140 -0.000197 0.000746 -0.000548 8C 1dz2 -0.000018 0.000006 0.000012 0.000010 0.000004 -0.000010 8C 1dxz 0.000007 -0.000005 0.000009 0.000009 -0.000012 0.000019 8C 1dyz -0.000025 0.000032 -0.000015 -0.000011 0.000019 -0.000028 8C 1dx2y2 -0.000013 0.000028 -0.000009 -0.000000 0.000024 -0.000024 8C 1dxy -0.000035 -0.000000 -0.000006 -0.000011 0.000009 -0.000038 8C 2dz2 -0.000011 0.000050 -0.000101 -0.000101 0.000059 -0.000116 8C 2dxz 0.000128 -0.000147 0.000042 -0.000015 -0.000065 0.000143 8C 2dyz -0.000322 0.000261 -0.000188 -0.000094 0.000305 -0.000577 8C 2dx2y2 -0.000269 0.000184 -0.000116 -0.000093 0.000177 -0.000302 8C 2dxy -0.000168 0.000255 -0.000075 -0.000039 0.000150 -0.000291 8C 1f0 0.000035 -0.000033 0.000010 0.000012 -0.000021 0.000035 8C 1f+1 -0.000010 -0.000003 -0.000003 -0.000001 0.000007 -0.000014 8C 1f-1 0.000007 -0.000013 0.000003 -0.000010 -0.000007 0.000006 8C 1f+2 0.000052 -0.000040 0.000027 0.000006 -0.000040 0.000047 8C 1f-2 0.000043 -0.000033 0.000016 0.000012 -0.000026 0.000066 8C 1f+3 -0.000031 0.000032 -0.000019 -0.000011 0.000024 -0.000063 8C 1f-3 0.000017 -0.000008 0.000017 0.000011 -0.000030 0.000027 9C 1s -0.000001 -0.000000 -0.000001 -0.000001 -0.000000 0.000000 9C 2s 0.000003 0.000001 0.000007 0.000006 0.000002 -0.000002 9C 3s 0.000296 -0.000401 0.000346 0.000329 0.000061 -0.000109 9C 4s -0.001793 0.002416 -0.002372 -0.002169 -0.000487 0.000667 9C 5s -0.000387 -0.001225 0.002777 0.003493 0.000922 -0.000861 9C 1pz -0.000026 0.000034 -0.000026 -0.000025 -0.000005 0.000016 9C 1px 0.000011 0.000011 -0.000004 -0.000015 0.000002 0.000009 9C 1py -0.000030 0.000032 -0.000022 -0.000014 0.000010 0.000004 9C 2pz 0.000813 -0.001255 0.001335 0.001173 0.000238 -0.000422 9C 2px 0.000139 -0.000220 0.000229 0.000426 0.000078 -0.000235 9C 2py 0.000681 -0.000874 0.000911 0.000788 0.000073 -0.000273 9C 3pz 0.000260 0.000146 -0.000635 -0.000614 -0.000152 0.000005 9C 3px 0.000074 -0.000257 -0.000018 -0.000491 -0.000033 0.000275 9C 3py 0.000038 0.000006 -0.000349 -0.000404 -0.000199 0.000314 9C 1dz2 -0.000011 0.000034 -0.000036 -0.000017 0.000007 -0.000008 9C 1dxz -0.000020 0.000001 -0.000012 -0.000023 -0.000004 0.000011 9C 1dyz -0.000030 0.000035 -0.000033 -0.000030 -0.000015 0.000016 9C 1dx2y2 -0.000007 -0.000012 0.000019 0.000010 0.000007 -0.000010 9C 1dxy -0.000016 0.000002 -0.000001 -0.000012 -0.000001 0.000004 9C 2dz2 -0.000182 0.000232 -0.000294 -0.000283 -0.000094 0.000171 9C 2dxz -0.000067 0.000174 -0.000092 -0.000069 -0.000001 0.000006 9C 2dyz -0.000284 0.000468 -0.000511 -0.000497 -0.000042 0.000165 9C 2dx2y2 0.000140 -0.000144 0.000133 0.000090 -0.000003 0.000029 9C 2dxy -0.000009 0.000121 -0.000086 -0.000106 -0.000034 0.000052 9C 1f0 0.000006 -0.000001 0.000023 0.000011 0.000007 -0.000014 9C 1f+1 0.000007 -0.000020 0.000018 0.000039 0.000007 -0.000015 9C 1f-1 0.000051 -0.000074 0.000073 0.000061 0.000014 -0.000018 9C 1f+2 -0.000037 0.000041 -0.000053 -0.000044 -0.000007 0.000013 9C 1f-2 0.000026 -0.000029 0.000016 0.000037 0.000000 -0.000015 9C 1f+3 0.000003 -0.000011 0.000001 0.000010 -0.000003 -0.000007 9C 1f-3 0.000007 -0.000007 0.000018 0.000015 0.000003 -0.000006 10H 1s 0.000002 0.000010 -0.000019 -0.000019 -0.000009 0.000004 10H 2s -0.000068 -0.000025 -0.000100 0.000032 -0.000109 0.000021 10H 3s 0.000026 0.000041 0.000489 0.000115 0.000229 -0.000075 10H 1pz 0.000021 -0.000018 -0.000034 -0.000015 -0.000016 0.000010 10H 1px 0.000016 0.000012 0.000030 0.000007 0.000021 -0.000007 10H 1py 0.000012 -0.000008 -0.000020 -0.000010 -0.000011 0.000010 11H 1s 0.000015 -0.000007 0.000014 0.000007 0.000008 0.000004 11H 2s -0.000086 -0.000089 0.000088 0.000022 0.000061 -0.000079 11H 3s -0.000344 0.000235 0.000076 0.000175 0.000003 -0.000076 11H 1pz 0.000006 -0.000032 -0.000021 -0.000037 0.000002 -0.000009 11H 1px 0.000008 -0.000026 0.000015 -0.000001 0.000014 -0.000002 11H 1py 0.000004 0.000001 -0.000024 -0.000019 -0.000002 0.000002 12H 1s 0.000010 -0.000002 0.000001 -0.000001 0.000009 0.000004 12H 2s -0.000070 0.000004 0.000051 0.000036 0.000032 0.000018 12H 3s -0.000369 -0.000024 0.000176 0.000173 -0.000187 -0.000101 12H 1pz -0.000005 -0.000011 -0.000021 -0.000024 -0.000021 0.000009 12H 1px 0.000006 -0.000014 0.000011 0.000001 0.000014 0.000006 12H 1py 0.000003 -0.000008 -0.000016 -0.000022 -0.000003 0.000013 13H 1s 0.000002 -0.000004 0.000008 0.000005 -0.000017 0.000014 13H 2s 0.000100 0.000005 0.000043 0.000027 -0.000109 0.000008 13H 3s -0.000139 -0.000121 -0.000171 -0.000079 0.000424 -0.000182 13H 1pz 0.000007 0.000016 0.000015 0.000015 -0.000040 0.000017 13H 1px -0.000021 -0.000010 -0.000005 -0.000000 0.000016 -0.000003 13H 1py 0.000018 -0.000015 -0.000011 -0.000006 0.000029 -0.000013 14H 1s -0.000008 0.000002 -0.000001 0.000004 -0.000005 0.000003 14H 2s 0.000054 -0.000034 -0.000041 0.000052 0.000070 -0.000032 14H 3s 0.000319 0.000007 0.000115 -0.000177 0.000119 -0.000237 14H 1pz 0.000004 0.000002 0.000010 0.000019 -0.000020 0.000019 14H 1px -0.000009 0.000012 -0.000008 0.000014 0.000005 0.000008 14H 1py -0.000006 -0.000021 -0.000016 -0.000010 0.000014 -0.000016 15H 1s -0.000021 0.000011 0.000001 -0.000004 0.000015 -0.000007 15H 2s 0.000046 0.000075 -0.000067 -0.000081 0.000133 -0.000053 15H 3s 0.000373 -0.000315 -0.000109 -0.000104 0.000013 -0.000146 15H 1pz 0.000010 -0.000010 0.000001 0.000008 -0.000038 0.000019 15H 1px -0.000009 0.000015 -0.000007 -0.000001 -0.000001 0.000003 15H 1py 0.000007 -0.000041 0.000007 0.000005 0.000015 -0.000020 16H 1s 0.000001 0.000035 0.000006 0.000011 0.000007 -0.000017 16H 2s 0.000024 0.000151 -0.000053 -0.000442 -0.000034 0.000203 16H 3s 0.000012 0.000127 0.000096 -0.000384 0.000073 0.000116 16H 1pz 0.000005 0.000048 -0.000002 -0.000094 -0.000001 0.000017 16H 1px 0.000000 -0.000024 -0.000019 0.000086 -0.000006 -0.000072 16H 1py 0.000001 -0.000000 -0.000004 0.000017 -0.000001 0.000014 17H 1s -0.000004 -0.000054 0.000000 0.000022 -0.000001 -0.000030 17H 2s 0.000006 0.000062 -0.000026 -0.000308 -0.000008 -0.000004 17H 3s -0.000008 -0.000106 -0.000014 0.000015 -0.000101 -0.000465 17H 1pz -0.000000 -0.000004 0.000006 0.000054 -0.000008 -0.000019 17H 1px -0.000003 0.000009 0.000007 0.000051 0.000030 0.000052 17H 1py -0.000001 -0.000006 -0.000001 0.000013 0.000001 0.000003 18H 1s 0.000054 0.000003 -0.000022 -0.000000 -0.000030 -0.000000 18H 2s -0.000065 -0.000006 0.000303 0.000028 -0.000003 -0.000012 18H 3s 0.000107 0.000004 -0.000026 0.000017 -0.000466 -0.000092 18H 1pz -0.000003 -0.000000 0.000055 0.000007 0.000019 0.000007 18H 1px 0.000008 -0.000003 0.000048 0.000008 -0.000052 -0.000029 18H 1py -0.000004 -0.000000 0.000014 -0.000001 -0.000004 -0.000000 19H 1s -0.000036 -0.000000 -0.000011 -0.000007 -0.000018 0.000007 19H 2s -0.000148 -0.000022 0.000444 0.000054 0.000199 -0.000041 19H 3s -0.000128 -0.000009 0.000391 -0.000096 0.000107 0.000068 19H 1pz 0.000046 0.000004 -0.000094 -0.000002 -0.000016 0.000002 19H 1px -0.000024 0.000001 0.000088 -0.000019 0.000071 0.000004 19H 1py 0.000002 0.000001 0.000014 -0.000004 -0.000014 0.000001 20H 1s -0.000010 0.000021 0.000004 -0.000001 -0.000006 0.000015 20H 2s -0.000077 -0.000046 0.000081 0.000066 -0.000050 0.000134 20H 3s 0.000303 -0.000378 0.000103 0.000109 -0.000146 0.000015 20H 1pz -0.000010 0.000010 0.000008 0.000001 -0.000018 0.000039 20H 1px 0.000015 -0.000010 -0.000001 -0.000007 -0.000003 0.000001 20H 1py -0.000041 0.000008 0.000005 0.000007 0.000019 -0.000015 21H 1s -0.000002 0.000008 -0.000003 0.000001 0.000003 -0.000005 21H 2s 0.000032 -0.000055 -0.000052 0.000042 -0.000032 0.000071 21H 3s -0.000013 -0.000322 0.000176 -0.000116 -0.000233 0.000124 21H 1pz 0.000003 0.000004 0.000019 0.000010 -0.000019 0.000020 21H 1px 0.000012 -0.000010 0.000014 -0.000008 -0.000007 -0.000005 21H 1py -0.000021 -0.000006 -0.000010 -0.000016 0.000016 -0.000014 22H 1s 0.000004 -0.000002 -0.000005 -0.000008 0.000014 -0.000017 22H 2s -0.000009 -0.000100 -0.000027 -0.000043 0.000007 -0.000109 22H 3s 0.000120 0.000137 0.000078 0.000172 -0.000175 0.000429 22H 1pz 0.000016 0.000006 0.000015 0.000015 -0.000017 0.000040 22H 1px -0.000010 -0.000021 -0.000001 -0.000005 0.000003 -0.000016 22H 1py -0.000015 0.000018 -0.000006 -0.000011 0.000013 -0.000030 23H 1s 0.000002 -0.000010 0.000001 -0.000001 0.000004 0.000009 23H 2s -0.000000 0.000070 -0.000039 -0.000054 0.000019 0.000033 23H 3s 0.000029 0.000372 -0.000170 -0.000174 -0.000103 -0.000186 23H 1pz -0.000011 -0.000005 -0.000024 -0.000021 -0.000008 0.000022 23H 1px -0.000014 0.000006 0.000001 0.000011 -0.000006 -0.000014 23H 1py -0.000009 0.000003 -0.000021 -0.000016 -0.000013 0.000003 24H 1s 0.000007 -0.000015 -0.000006 -0.000014 0.000004 0.000008 24H 2s 0.000092 0.000086 -0.000020 -0.000087 -0.000079 0.000060 24H 3s -0.000222 0.000346 -0.000178 -0.000080 -0.000072 0.000007 24H 1pz -0.000032 0.000006 -0.000037 -0.000022 0.000009 -0.000002 24H 1px -0.000026 0.000008 -0.000001 0.000015 0.000002 -0.000014 24H 1py 0.000001 0.000005 -0.000019 -0.000023 -0.000002 0.000002 25H 1s -0.000010 -0.000002 0.000019 0.000019 0.000004 -0.000009 25H 2s 0.000028 0.000067 -0.000031 0.000100 0.000019 -0.000108 25H 3s -0.000036 -0.000025 -0.000113 -0.000491 -0.000072 0.000230 25H 1pz -0.000017 0.000021 -0.000015 -0.000034 -0.000009 0.000017 25H 1px 0.000012 0.000016 0.000007 0.000030 0.000007 -0.000021 25H 1py -0.000008 0.000013 -0.000010 -0.000019 -0.000010 0.000010 26O 1s 0.000001 0.000001 0.000000 -0.000000 0.000000 -0.000000 26O 2s -0.000015 -0.000003 -0.000002 0.000003 -0.000003 -0.000001 26O 3s 0.000179 0.000093 0.000043 -0.000020 0.000041 -0.000038 26O 4s -0.000515 0.000021 -0.000436 0.000144 -0.000310 -0.000010 26O 5s -0.000109 -0.000962 0.001235 -0.001051 0.000781 0.001815 26O 1pz 0.000031 0.000023 -0.000029 0.000019 -0.000009 -0.000009 26O 1px -0.000020 0.000009 0.000030 -0.000025 0.000008 0.000022 26O 1py -0.000002 0.000007 -0.000009 -0.000003 -0.000005 -0.000003 26O 2pz -0.000139 -0.000301 0.000114 -0.000091 0.000028 0.000111 26O 2px 0.000247 -0.000188 -0.000099 0.000048 0.000000 -0.000165 26O 2py 0.000072 -0.000237 0.000050 -0.000029 0.000024 0.000014 26O 3pz -0.000107 -0.001374 0.000691 -0.000107 0.000202 0.000300 26O 3px -0.000009 -0.000626 0.000172 0.000375 -0.000192 -0.000510 26O 3py -0.000137 -0.000764 0.000373 0.000282 0.000409 0.000343 26O 1dz2 0.000012 0.000003 -0.000022 0.000011 0.000004 0.000016 26O 1dxz -0.000010 0.000007 0.000020 -0.000012 0.000009 -0.000001 26O 1dyz 0.000008 -0.000013 -0.000005 -0.000013 -0.000015 -0.000004 26O 1dx2y2 -0.000002 0.000029 0.000003 0.000002 0.000002 -0.000012 26O 1dxy -0.000005 0.000020 0.000013 -0.000002 0.000015 0.000017 26O 2dz2 -0.000013 -0.000155 0.000079 -0.000091 -0.000009 -0.000031 26O 2dxz 0.000066 -0.000081 -0.000114 0.000041 -0.000033 0.000026 26O 2dyz -0.000038 -0.000113 0.000021 0.000000 0.000061 0.000082 26O 2dx2y2 -0.000047 -0.000018 0.000015 0.000029 0.000015 0.000062 26O 2dxy -0.000029 -0.000072 -0.000052 0.000019 -0.000067 -0.000028 26O 1f0 0.000009 0.000005 -0.000001 -0.000026 0.000001 -0.000006 26O 1f+1 -0.000006 -0.000006 0.000001 0.000007 0.000001 0.000014 26O 1f-1 -0.000002 0.000003 0.000000 -0.000007 -0.000001 -0.000004 26O 1f+2 -0.000012 -0.000023 0.000007 0.000009 -0.000004 -0.000003 26O 1f-2 -0.000005 -0.000024 -0.000004 0.000018 -0.000006 -0.000010 26O 1f+3 -0.000006 -0.000006 0.000004 0.000015 0.000009 -0.000002 26O 1f-3 -0.000005 0.000022 0.000007 -0.000009 0.000001 0.000006 27O 1s -0.000001 -0.000001 -0.000000 0.000000 -0.000000 0.000000 27O 2s 0.000016 0.000003 0.000000 -0.000001 0.000001 -0.000004 27O 3s -0.000191 -0.000101 -0.000006 0.000027 0.000012 0.000020 27O 4s 0.000643 -0.000047 0.000090 -0.000124 -0.000377 -0.000156 27O 5s -0.000143 0.001547 -0.000354 0.000111 0.001042 0.001303 27O 1pz -0.000004 -0.000009 0.000008 -0.000006 -0.000024 -0.000016 27O 1px 0.000017 0.000001 -0.000007 -0.000002 0.000024 0.000029 27O 1py 0.000022 0.000029 -0.000003 0.000001 0.000034 0.000015 27O 2pz 0.000038 0.000179 -0.000028 0.000011 0.000096 0.000078 27O 2px -0.000266 0.000184 0.000029 0.000084 -0.000075 -0.000107 27O 2py -0.000078 -0.000341 0.000015 -0.000021 -0.000142 -0.000086 27O 3pz 0.000042 0.000607 -0.000384 0.000125 0.000364 0.000096 27O 3px -0.000015 0.000595 -0.000124 -0.000144 0.000293 -0.000410 27O 3py 0.000074 -0.001525 0.000045 0.000279 -0.000723 -0.000073 27O 1dz2 0.000000 0.000032 0.000017 -0.000012 -0.000003 -0.000007 27O 1dxz 0.000001 0.000010 -0.000007 0.000019 0.000009 0.000001 27O 1dyz 0.000008 -0.000010 -0.000009 0.000001 0.000019 -0.000001 27O 1dx2y2 0.000004 -0.000010 0.000002 -0.000003 0.000024 0.000005 27O 1dxy -0.000003 -0.000001 -0.000002 0.000010 -0.000021 -0.000018 27O 2dz2 -0.000042 -0.000131 -0.000061 0.000056 -0.000001 0.000025 27O 2dxz -0.000020 0.000032 0.000054 -0.000073 -0.000061 0.000009 27O 2dyz -0.000045 -0.000121 0.000032 -0.000006 -0.000093 -0.000045 27O 2dx2y2 0.000048 -0.000124 -0.000004 -0.000029 -0.000066 -0.000053 27O 2dxy 0.000010 -0.000091 0.000011 -0.000033 0.000115 0.000056 27O 1f0 -0.000004 -0.000007 0.000005 0.000004 -0.000002 0.000011 27O 1f+1 0.000002 -0.000014 -0.000000 -0.000009 0.000007 0.000013 27O 1f-1 0.000003 0.000024 0.000005 -0.000013 -0.000000 -0.000007 27O 1f+2 0.000006 0.000007 -0.000008 -0.000008 0.000004 -0.000010 27O 1f-2 0.000003 -0.000001 0.000002 0.000006 0.000009 0.000004 27O 1f+3 0.000011 0.000008 0.000003 -0.000000 0.000005 -0.000007 27O 1f-3 0.000010 0.000015 0.000004 -0.000007 0.000000 -0.000025 28O 1s -0.000001 -0.000001 -0.000000 -0.000000 -0.000000 0.000000 28O 2s 0.000003 0.000016 0.000003 0.000002 0.000002 -0.000003 28O 3s -0.000086 -0.000189 -0.000059 -0.000000 -0.000076 0.000035 28O 4s -0.000072 0.000630 0.000173 -0.000248 0.000128 -0.000141 28O 5s 0.000959 -0.000205 0.000202 0.000728 0.001598 0.000145 28O 1pz -0.000025 -0.000011 0.000003 -0.000013 -0.000000 -0.000001 28O 1px -0.000006 -0.000024 0.000015 -0.000039 -0.000012 0.000013 28O 1py -0.000009 -0.000003 0.000007 -0.000018 0.000003 0.000003 28O 2pz 0.000397 -0.000057 -0.000072 0.000075 -0.000048 0.000011 28O 2px -0.000075 0.000262 0.000060 0.000151 0.000195 -0.000090 28O 2py 0.000202 0.000006 -0.000017 0.000085 0.000035 -0.000015 28O 3pz 0.001499 -0.000076 0.000497 0.000632 0.000616 0.000061 28O 3px 0.000123 0.000017 -0.000103 -0.000074 0.000505 0.000253 28O 3py 0.000683 -0.000050 0.000310 0.000251 0.000095 -0.000221 28O 1dz2 -0.000010 -0.000000 -0.000014 0.000005 -0.000006 -0.000008 28O 1dxz 0.000009 -0.000008 0.000014 -0.000027 -0.000005 -0.000006 28O 1dyz 0.000010 -0.000006 -0.000001 -0.000004 -0.000000 -0.000001 28O 1dx2y2 -0.000029 -0.000003 0.000002 -0.000002 -0.000023 -0.000012 28O 1dxy -0.000002 -0.000004 0.000002 -0.000012 0.000020 0.000008 28O 2dz2 0.000154 -0.000016 0.000065 -0.000052 0.000052 0.000027 28O 2dxz 0.000085 -0.000024 -0.000116 0.000103 -0.000033 0.000028 28O 2dyz 0.000124 0.000036 0.000007 0.000017 0.000067 0.000015 28O 2dx2y2 0.000012 0.000069 0.000031 0.000040 0.000109 0.000032 28O 2dxy 0.000046 0.000014 -0.000018 0.000070 -0.000075 -0.000045 28O 1f0 0.000017 0.000009 0.000021 0.000004 0.000017 0.000002 28O 1f+1 -0.000016 -0.000011 -0.000023 -0.000003 0.000000 -0.000001 28O 1f-1 0.000012 0.000000 0.000004 -0.000008 0.000002 0.000001 28O 1f+2 0.000016 -0.000006 -0.000006 -0.000003 0.000001 0.000003 28O 1f-2 -0.000007 -0.000001 -0.000026 0.000003 -0.000014 0.000007 28O 1f+3 0.000000 -0.000009 -0.000012 -0.000008 -0.000022 0.000000 28O 1f-3 -0.000011 -0.000002 -0.000004 -0.000004 0.000002 0.000006 29O 1s 0.000000 0.000000 -0.000000 0.000000 -0.000000 0.000001 29O 2s -0.000000 -0.000001 0.000002 -0.000004 0.000001 -0.000014 29O 3s 0.000004 0.000009 -0.000021 0.000020 -0.000015 0.000102 29O 4s -0.000006 0.000030 0.000047 -0.000211 0.000034 -0.000036 29O 5s -0.000014 -0.000271 -0.000014 0.001075 -0.000036 -0.000380 29O 1pz 0.000001 -0.000008 -0.000001 0.000005 -0.000004 0.000004 29O 1px -0.000001 -0.000014 -0.000001 0.000028 0.000007 -0.000059 29O 1py -0.000000 -0.000005 -0.000005 0.000039 0.000006 0.000008 29O 2pz -0.000004 0.000044 0.000006 -0.000024 0.000017 -0.000016 29O 2px 0.000001 0.000037 0.000010 -0.000051 -0.000017 0.000166 29O 2py 0.000003 0.000026 0.000016 -0.000150 -0.000028 -0.000000 29O 3pz 0.000041 0.000120 -0.000056 -0.000223 -0.000055 0.000175 29O 3px 0.000010 0.000084 -0.000017 -0.000086 0.000002 0.000446 29O 3py 0.000008 0.000072 -0.000119 -0.000303 0.000066 0.000018 29O 1dz2 -0.000000 -0.000003 0.000001 0.000015 0.000000 -0.000034 29O 1dxz -0.000001 0.000001 0.000001 -0.000029 0.000002 0.000005 29O 1dyz 0.000002 0.000027 0.000001 0.000002 0.000002 0.000023 29O 1dx2y2 0.000001 0.000007 -0.000002 -0.000007 -0.000003 0.000062 29O 1dxy 0.000001 0.000014 -0.000000 -0.000045 -0.000001 -0.000010 29O 2dz2 -0.000002 -0.000004 -0.000002 -0.000027 0.000000 0.000118 29O 2dxz 0.000002 0.000005 -0.000004 0.000105 -0.000006 0.000007 29O 2dyz -0.000008 -0.000107 -0.000004 0.000011 -0.000009 -0.000093 29O 2dx2y2 -0.000002 -0.000025 0.000006 0.000024 0.000009 -0.000241 29O 2dxy -0.000002 -0.000048 -0.000001 0.000134 -0.000001 0.000014 29O 1f0 0.000001 -0.000000 -0.000002 -0.000003 -0.000002 0.000008 29O 1f+1 0.000000 -0.000001 0.000001 0.000011 0.000001 -0.000018 29O 1f-1 0.000001 0.000000 -0.000000 -0.000009 -0.000003 -0.000003 29O 1f+2 -0.000001 -0.000009 0.000001 -0.000007 -0.000001 -0.000012 29O 1f-2 0.000000 0.000007 0.000001 0.000002 0.000002 0.000013 29O 1f+3 -0.000000 -0.000002 0.000003 0.000008 0.000001 -0.000033 29O 1f-3 -0.000000 -0.000007 -0.000002 0.000034 0.000000 0.000008 30O 1s 0.000001 0.000001 0.000000 0.000000 -0.000000 -0.000000 30O 2s -0.000003 -0.000016 -0.000001 -0.000001 0.000004 0.000001 30O 3s 0.000105 0.000188 0.000011 0.000001 -0.000076 -0.000021 30O 4s 0.000020 -0.000598 -0.000041 0.000110 0.000229 0.000224 30O 5s -0.001226 0.000133 -0.000061 -0.000318 0.000333 -0.000825 30O 1pz 0.000008 -0.000006 -0.000005 -0.000001 -0.000004 -0.000001 30O 1px 0.000009 0.000029 -0.000014 0.000018 0.000009 0.000034 30O 1py -0.000023 -0.000016 -0.000000 -0.000010 -0.000006 -0.000006 30O 2pz -0.000240 0.000113 0.000026 0.000007 -0.000050 -0.000001 30O 2px -0.000039 -0.000272 0.000027 -0.000068 0.000113 -0.000147 30O 2py 0.000364 -0.000011 -0.000027 0.000049 0.000070 0.000026 30O 3pz -0.000813 -0.000008 0.000291 -0.000366 0.000339 -0.000256 30O 3px -0.000293 0.000052 0.000049 -0.000055 0.000084 0.000009 30O 3py 0.001674 0.000052 0.000277 -0.000028 -0.000338 0.000502 30O 1dz2 -0.000021 -0.000006 -0.000001 0.000002 -0.000005 -0.000006 30O 1dxz -0.000023 0.000002 -0.000030 0.000018 -0.000004 0.000007 30O 1dyz 0.000004 -0.000001 0.000000 -0.000004 0.000007 0.000008 30O 1dx2y2 0.000001 0.000000 -0.000010 0.000010 0.000004 0.000003 30O 1dxy 0.000014 -0.000015 -0.000009 -0.000003 -0.000011 -0.000018 30O 2dz2 0.000104 0.000037 -0.000003 0.000015 0.000003 0.000038 30O 2dxz -0.000007 0.000046 0.000129 -0.000067 -0.000040 -0.000019 30O 2dyz 0.000121 0.000030 -0.000002 0.000014 -0.000066 -0.000034 30O 2dx2y2 0.000137 -0.000049 0.000028 -0.000049 0.000011 -0.000045 30O 2dxy 0.000080 0.000027 0.000017 0.000005 0.000101 0.000072 30O 1f0 0.000010 -0.000004 -0.000004 -0.000003 0.000012 -0.000006 30O 1f+1 0.000009 0.000002 0.000009 0.000006 0.000001 0.000003 30O 1f-1 -0.000006 -0.000003 -0.000006 0.000004 -0.000015 -0.000002 30O 1f+2 0.000014 0.000011 0.000014 -0.000003 -0.000015 0.000000 30O 1f-2 -0.000024 0.000001 -0.000014 0.000003 0.000013 0.000002 30O 1f+3 0.000019 0.000014 0.000001 0.000001 -0.000027 0.000005 30O 1f-3 0.000013 0.000005 0.000003 0.000002 -0.000024 -0.000001 31O 1s -0.000001 -0.000001 -0.000000 -0.000000 -0.000000 -0.000000 31O 2s 0.000016 0.000003 0.000001 0.000001 0.000001 0.000004 31O 3s -0.000190 -0.000101 -0.000001 -0.000009 -0.000022 -0.000076 31O 4s 0.000598 -0.000032 -0.000108 0.000036 0.000227 0.000224 31O 5s -0.000108 0.001225 0.000315 0.000041 -0.000821 0.000336 31O 1pz -0.000006 0.000008 -0.000001 -0.000005 0.000001 0.000004 31O 1px 0.000029 0.000008 0.000018 -0.000014 -0.000035 -0.000008 31O 1py -0.000016 -0.000023 -0.000010 -0.000000 0.000006 0.000006 31O 2pz 0.000108 -0.000242 0.000007 0.000024 0.000002 0.000049 31O 2px -0.000272 -0.000033 -0.000068 0.000030 0.000146 -0.000115 31O 2py -0.000003 0.000364 0.000049 -0.000026 -0.000027 -0.000068 31O 3pz -0.000026 -0.000812 -0.000366 0.000284 0.000248 -0.000349 31O 3px 0.000046 -0.000294 -0.000056 0.000059 -0.000010 -0.000077 31O 3py 0.000090 0.001673 -0.000028 0.000285 -0.000493 0.000351 31O 1dz2 0.000006 0.000021 -0.000002 0.000001 -0.000006 -0.000005 31O 1dxz -0.000002 0.000023 -0.000018 0.000030 0.000007 -0.000005 31O 1dyz 0.000001 -0.000004 0.000004 -0.000001 0.000008 0.000007 31O 1dx2y2 -0.000000 -0.000001 -0.000010 0.000010 0.000003 0.000004 31O 1dxy 0.000014 -0.000014 0.000003 0.000009 -0.000018 -0.000011 31O 2dz2 -0.000039 -0.000104 -0.000015 0.000004 0.000038 0.000002 31O 2dxz -0.000046 0.000008 0.000067 -0.000127 -0.000019 -0.000038 31O 2dyz -0.000033 -0.000120 -0.000014 0.000003 -0.000035 -0.000064 31O 2dx2y2 0.000046 -0.000138 0.000049 -0.000029 -0.000045 0.000011 31O 2dxy -0.000029 -0.000079 -0.000005 -0.000018 0.000074 0.000099 31O 1f0 -0.000004 0.000010 -0.000003 -0.000004 0.000006 -0.000012 31O 1f+1 0.000002 0.000009 0.000006 0.000009 -0.000003 -0.000001 31O 1f-1 -0.000003 -0.000006 0.000004 -0.000006 0.000003 0.000015 31O 1f+2 0.000011 0.000014 -0.000003 0.000014 0.000000 0.000015 31O 1f-2 0.000000 -0.000024 0.000003 -0.000014 -0.000002 -0.000013 31O 1f+3 0.000014 0.000018 0.000001 0.000001 -0.000004 0.000027 31O 1f-3 0.000005 0.000013 0.000002 0.000003 0.000001 0.000024 32O 1s -0.000000 -0.000000 -0.000000 0.000000 0.000001 -0.000000 32O 2s 0.000001 0.000000 0.000004 -0.000002 -0.000014 0.000002 32O 3s -0.000010 -0.000003 -0.000020 0.000021 0.000103 -0.000017 32O 4s -0.000030 0.000006 0.000208 -0.000047 -0.000039 0.000035 32O 5s 0.000272 0.000010 -0.001069 0.000011 -0.000374 -0.000024 32O 1pz -0.000008 0.000002 0.000005 -0.000001 -0.000004 0.000004 32O 1px -0.000014 -0.000001 0.000028 -0.000001 0.000058 -0.000008 32O 1py -0.000005 -0.000000 0.000039 -0.000005 -0.000008 -0.000006 32O 2pz 0.000041 -0.000005 -0.000022 0.000007 0.000016 -0.000018 32O 2px 0.000036 0.000000 -0.000049 0.000010 -0.000165 0.000019 32O 2py 0.000027 0.000003 -0.000150 0.000015 0.000001 0.000029 32O 3pz 0.000118 0.000038 -0.000226 -0.000055 -0.000168 0.000060 32O 3px 0.000083 0.000008 -0.000087 -0.000017 -0.000447 0.000005 32O 3py 0.000075 0.000008 -0.000306 -0.000121 -0.000025 -0.000064 32O 1dz2 0.000003 -0.000000 -0.000015 -0.000001 -0.000034 0.000001 32O 1dxz -0.000001 0.000001 0.000029 -0.000001 0.000005 0.000002 32O 1dyz -0.000027 -0.000001 -0.000001 -0.000001 0.000023 0.000001 32O 1dx2y2 -0.000007 -0.000000 0.000007 0.000002 0.000062 -0.000004 32O 1dxy -0.000014 -0.000001 0.000046 0.000000 -0.000010 -0.000000 32O 2dz2 0.000002 0.000002 0.000029 0.000002 0.000121 -0.000001 32O 2dxz -0.000004 -0.000002 -0.000105 0.000004 0.000009 -0.000005 32O 2dyz 0.000107 0.000005 -0.000015 0.000005 -0.000093 -0.000007 32O 2dx2y2 0.000024 0.000001 -0.000023 -0.000006 -0.000239 0.000014 32O 2dxy 0.000048 0.000001 -0.000136 0.000001 0.000014 -0.000002 32O 1f0 -0.000000 0.000001 -0.000002 -0.000002 -0.000008 0.000002 32O 1f+1 -0.000002 0.000000 0.000011 0.000001 0.000019 -0.000001 32O 1f-1 -0.000000 0.000001 -0.000009 -0.000000 0.000003 0.000003 32O 1f+2 -0.000009 -0.000001 -0.000006 0.000001 0.000012 0.000001 32O 1f-2 0.000007 -0.000000 0.000001 0.000001 -0.000014 -0.000001 32O 1f+3 -0.000002 -0.000000 0.000007 0.000003 0.000033 -0.000002 32O 1f-3 -0.000007 0.000000 0.000034 -0.000002 -0.000008 -0.000000 33O 1s 0.000001 0.000001 0.000000 0.000000 0.000000 -0.000000 33O 2s -0.000016 -0.000003 -0.000002 -0.000003 -0.000003 0.000002 33O 3s 0.000191 0.000081 0.000001 0.000058 0.000033 -0.000076 33O 4s -0.000630 0.000087 0.000246 -0.000172 -0.000140 0.000128 33O 5s 0.000190 -0.000956 -0.000724 -0.000192 0.000175 0.001591 33O 1pz -0.000012 -0.000025 -0.000013 0.000003 0.000001 0.000000 33O 1px -0.000024 -0.000005 -0.000039 0.000015 -0.000013 0.000012 33O 1py -0.000003 -0.000009 -0.000018 0.000006 -0.000003 -0.000003 33O 2pz -0.000048 0.000399 0.000075 -0.000071 -0.000010 0.000048 33O 2px 0.000260 -0.000082 0.000151 0.000059 0.000086 -0.000195 33O 2py 0.000010 0.000202 0.000086 -0.000017 0.000014 -0.000035 33O 3pz -0.000042 0.001500 0.000627 0.000495 -0.000076 -0.000618 33O 3px 0.000019 0.000119 -0.000075 -0.000106 -0.000261 -0.000497 33O 3py -0.000034 0.000685 0.000250 0.000308 0.000218 -0.000100 33O 1dz2 0.000001 0.000010 -0.000005 0.000014 -0.000008 -0.000006 33O 1dxz 0.000008 -0.000009 0.000027 -0.000014 -0.000006 -0.000005 33O 1dyz 0.000006 -0.000010 0.000004 0.000001 -0.000001 -0.000000 33O 1dx2y2 0.000004 0.000029 0.000002 -0.000002 -0.000012 -0.000022 33O 1dxy 0.000004 0.000002 0.000012 -0.000002 0.000008 0.000020 33O 2dz2 0.000013 -0.000155 0.000052 -0.000065 0.000028 0.000052 33O 2dxz 0.000022 -0.000086 -0.000103 0.000116 0.000028 -0.000033 33O 2dyz -0.000039 -0.000122 -0.000017 -0.000006 0.000017 0.000066 33O 2dx2y2 -0.000069 -0.000010 -0.000040 -0.000031 0.000034 0.000109 33O 2dxy -0.000015 -0.000045 -0.000070 0.000017 -0.000046 -0.000075 33O 1f0 0.000010 0.000017 0.000004 0.000021 -0.000002 -0.000017 33O 1f+1 -0.000011 -0.000015 -0.000003 -0.000023 0.000001 -0.000000 33O 1f-1 0.000001 0.000012 -0.000008 0.000004 -0.000001 -0.000002 33O 1f+2 -0.000005 0.000016 -0.000003 -0.000006 -0.000003 -0.000001 33O 1f-2 -0.000001 -0.000007 0.000003 -0.000026 -0.000006 0.000014 33O 1f+3 -0.000009 0.000000 -0.000008 -0.000012 0.000000 0.000022 33O 1f-3 -0.000003 -0.000011 -0.000004 -0.000004 -0.000006 -0.000002 34O 1s 0.000001 0.000001 -0.000000 0.000000 0.000000 -0.000000 34O 2s -0.000003 -0.000016 0.000001 -0.000000 -0.000004 0.000001 34O 3s 0.000106 0.000189 -0.000028 0.000005 0.000020 0.000011 34O 4s 0.000031 -0.000643 0.000126 -0.000089 -0.000163 -0.000373 34O 5s -0.001545 0.000176 -0.000117 0.000347 0.001340 0.001016 34O 1pz -0.000009 -0.000004 -0.000006 0.000008 0.000016 0.000023 34O 1px 0.000001 0.000017 -0.000002 -0.000007 -0.000030 -0.000024 34O 1py 0.000029 0.000021 0.000001 -0.000004 -0.000016 -0.000033 34O 2pz 0.000180 0.000033 0.000011 -0.000029 -0.000081 -0.000095 34O 2px 0.000178 -0.000270 0.000083 0.000029 0.000110 0.000073 34O 2py -0.000343 -0.000070 -0.000021 0.000016 0.000088 0.000140 34O 3pz 0.000607 0.000029 0.000128 -0.000384 -0.000103 -0.000360 34O 3px 0.000592 -0.000027 -0.000141 -0.000129 0.000413 -0.000299 34O 3py -0.001522 0.000107 0.000275 0.000047 0.000085 0.000722 34O 1dz2 -0.000032 0.000001 0.000012 -0.000017 -0.000007 -0.000003 34O 1dxz -0.000010 -0.000001 -0.000019 0.000007 0.000001 0.000009 34O 1dyz 0.000010 -0.000008 -0.000001 0.000009 -0.000001 0.000019 34O 1dx2y2 0.000010 -0.000005 0.000003 -0.000002 0.000006 0.000024 34O 1dxy 0.000001 0.000003 -0.000010 0.000002 -0.000019 -0.000021 34O 2dz2 0.000132 0.000039 -0.000056 0.000061 0.000024 -0.000001 34O 2dxz -0.000032 0.000020 0.000073 -0.000054 0.000008 -0.000061 34O 2dyz 0.000122 0.000042 0.000006 -0.000033 -0.000047 -0.000091 34O 2dx2y2 0.000123 -0.000051 0.000029 0.000004 -0.000053 -0.000065 34O 2dxy 0.000091 -0.000012 0.000033 -0.000011 0.000057 0.000114 34O 1f0 -0.000008 -0.000004 0.000004 0.000005 -0.000011 0.000002 34O 1f+1 -0.000014 0.000003 -0.000009 -0.000000 -0.000014 -0.000007 34O 1f-1 0.000024 0.000003 -0.000012 0.000005 0.000007 0.000000 34O 1f+2 0.000007 0.000006 -0.000008 -0.000008 0.000010 -0.000004 34O 1f-2 -0.000000 0.000003 0.000006 0.000002 -0.000004 -0.000009 34O 1f+3 0.000008 0.000011 -0.000000 0.000003 0.000007 -0.000006 34O 1f-3 0.000016 0.000010 -0.000007 0.000004 0.000025 -0.000001 35O 1s -0.000001 -0.000001 0.000000 -0.000000 -0.000000 0.000000 35O 2s 0.000003 0.000015 -0.000003 0.000002 -0.000002 -0.000003 35O 3s -0.000096 -0.000177 0.000020 -0.000043 -0.000037 0.000042 35O 4s -0.000011 0.000515 -0.000144 0.000434 -0.000015 -0.000312 35O 5s 0.000963 0.000088 0.001078 -0.001229 0.001830 0.000748 35O 1pz 0.000023 0.000031 0.000019 -0.000029 0.000010 0.000009 35O 1px 0.000009 -0.000020 -0.000025 0.000030 -0.000023 -0.000008 35O 1py 0.000007 -0.000002 -0.000003 -0.000009 0.000003 0.000005 35O 2pz -0.000305 -0.000132 -0.000092 0.000113 -0.000112 -0.000026 35O 2px -0.000183 0.000250 0.000051 -0.000099 0.000166 -0.000003 35O 2py -0.000237 0.000077 -0.000028 0.000050 -0.000014 -0.000025 35O 3pz -0.001377 -0.000077 -0.000109 0.000690 -0.000303 -0.000197 35O 3px -0.000627 0.000005 0.000387 0.000172 0.000513 0.000180 35O 3py -0.000770 -0.000121 0.000284 0.000372 -0.000354 -0.000404 35O 1dz2 -0.000003 -0.000012 -0.000010 0.000022 0.000016 0.000004 35O 1dxz -0.000006 0.000010 0.000012 -0.000020 -0.000001 0.000009 35O 1dyz 0.000012 -0.000009 0.000013 0.000005 -0.000004 -0.000015 35O 1dx2y2 -0.000029 0.000002 -0.000002 -0.000003 -0.000012 0.000002 35O 1dxy -0.000020 0.000005 0.000002 -0.000013 0.000017 0.000015 35O 2dz2 0.000155 0.000010 0.000090 -0.000078 -0.000031 -0.000008 35O 2dxz 0.000079 -0.000068 -0.000040 0.000114 0.000026 -0.000033 35O 2dyz 0.000114 0.000036 0.000000 -0.000021 0.000083 0.000059 35O 2dx2y2 0.000018 0.000047 -0.000027 -0.000015 0.000062 0.000014 35O 2dxy 0.000073 0.000027 -0.000018 0.000052 -0.000029 -0.000066 35O 1f0 0.000005 0.000009 -0.000026 -0.000001 0.000006 -0.000001 35O 1f+1 -0.000006 -0.000006 0.000007 0.000001 -0.000014 -0.000000 35O 1f-1 0.000003 -0.000002 -0.000007 0.000000 0.000004 0.000001 35O 1f+2 -0.000023 -0.000011 0.000009 0.000007 0.000003 0.000004 35O 1f-2 -0.000024 -0.000005 0.000018 -0.000004 0.000010 0.000006 35O 1f+3 -0.000007 -0.000006 0.000015 0.000004 0.000002 -0.000009 35O 1f-3 0.000022 -0.000006 -0.000009 0.000007 -0.000006 -0.000001 36 37 38 39 40 41 -11.32803 -11.32797 -10.24220 -10.24219 -10.24205 -10.24197 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s -0.000001 0.000085 -0.000001 0.000000 0.000000 -0.000000 0Rh 2s 0.000040 -0.000522 -0.000006 0.000002 0.000005 -0.000003 0Rh 3s 0.000020 0.000100 -0.000007 0.000003 0.000006 -0.000004 0Rh 4s -0.000139 0.001174 0.000019 -0.000006 -0.000017 0.000009 0Rh 5s 0.000300 -0.000643 -0.000005 -0.000022 -0.000002 0.000016 0Rh 6s -0.000681 0.000332 -0.000078 0.000120 0.000094 -0.000110 0Rh 7s 0.002673 -0.001760 0.000344 -0.000414 -0.000321 0.000472 0Rh 8s 0.000518 0.001258 0.000372 -0.000504 -0.000483 0.000401 0Rh 1pz 0.000004 0.000004 -0.000002 -0.000003 0.000003 0.000004 0Rh 1px -0.000001 -0.000137 -0.000002 -0.000001 0.000001 0.000000 0Rh 1py -0.000002 -0.000002 0.000003 0.000004 0.000003 0.000003 0Rh 2pz -0.000019 -0.000021 0.000010 0.000012 -0.000016 -0.000019 0Rh 2px 0.000017 0.000361 0.000008 0.000005 -0.000006 -0.000002 0Rh 2py 0.000008 0.000008 -0.000017 -0.000019 -0.000012 -0.000013 0Rh 3pz 0.000121 0.000103 -0.000061 -0.000077 0.000100 0.000120 0Rh 3px -0.000207 -0.000139 -0.000053 -0.000028 0.000038 0.000010 0Rh 3py -0.000056 -0.000031 0.000103 0.000119 0.000077 0.000077 0Rh 4pz -0.000329 -0.000173 0.000159 0.000202 -0.000262 -0.000311 0Rh 4px 0.000636 0.000166 0.000138 0.000071 -0.000101 -0.000027 0Rh 4py 0.000155 0.000050 -0.000269 -0.000310 -0.000202 -0.000200 0Rh 5pz 0.000411 0.000239 -0.000213 -0.000266 0.000346 0.000408 0Rh 5px -0.000947 -0.000056 -0.000170 -0.000092 0.000136 0.000048 0Rh 5py -0.000196 -0.000046 0.000357 0.000409 0.000266 0.000265 0Rh 6pz 0.001146 -0.000940 0.000059 -0.000076 0.000017 0.000080 0Rh 6px -0.001386 -0.000976 -0.000139 -0.000225 -0.000222 -0.000199 0Rh 6py -0.000572 -0.000435 -0.000154 0.000092 0.000086 0.000053 0Rh 1dz2 0.017691 -0.476734 0.000002 -0.000001 0.000000 -0.000001 0Rh 1dxz 0.005341 -0.147123 -0.000000 -0.000001 0.000001 0.000002 0Rh 1dyz -0.000195 0.003978 0.000002 -0.000003 0.000003 -0.000002 0Rh 1dx2y2 -0.022151 0.598696 -0.000001 -0.000000 0.000001 -0.000001 0Rh 1dxy -0.003111 0.085919 0.000002 0.000000 0.000002 -0.000000 0Rh 2dz2 0.006468 -0.174801 -0.000014 0.000007 -0.000000 0.000008 0Rh 2dxz 0.001934 -0.053951 -0.000000 0.000009 -0.000004 -0.000014 0Rh 2dyz -0.000073 0.001376 -0.000016 0.000022 -0.000019 0.000016 0Rh 2dx2y2 -0.008084 0.219601 0.000009 0.000002 -0.000010 0.000010 0Rh 2dxy -0.001119 0.031346 -0.000014 -0.000003 -0.000015 0.000001 0Rh 3dz2 0.001311 -0.033872 0.000039 -0.000020 -0.000000 -0.000020 0Rh 3dxz 0.000450 -0.010537 0.000003 -0.000025 0.000008 0.000041 0Rh 3dyz 0.000001 0.000197 0.000043 -0.000059 0.000051 -0.000044 0Rh 3dx2y2 -0.001692 0.042594 -0.000029 -0.000002 0.000030 -0.000029 0Rh 3dxy -0.000267 0.006149 0.000038 0.000009 0.000041 -0.000004 0Rh 4dz2 -0.000257 0.003947 -0.000074 0.000041 0.000012 0.000015 0Rh 4dxz -0.000170 0.001560 -0.000023 0.000057 0.000001 -0.000085 0Rh 4dyz -0.000019 0.000139 -0.000068 0.000091 -0.000079 0.000058 0Rh 4dx2y2 0.000422 -0.005179 0.000074 -0.000020 -0.000073 0.000074 0Rh 4dxy 0.000111 -0.000838 -0.000053 -0.000024 -0.000073 0.000011 0Rh 5dz2 0.000034 -0.002861 0.000021 -0.000020 -0.000119 0.000190 0Rh 5dxz -0.000263 -0.001747 0.000144 -0.000121 -0.000124 0.000118 0Rh 5dyz -0.000082 -0.000402 -0.000126 0.000178 -0.000138 0.000222 0Rh 5dx2y2 0.000041 0.004187 -0.000205 0.000213 0.000158 -0.000179 0Rh 5dxy 0.000090 0.000871 -0.000124 0.000108 -0.000019 0.000013 0Rh 1f0 -0.000059 -0.000017 0.000008 0.000019 -0.000006 0.000013 0Rh 1f+1 0.000020 0.000017 0.000006 -0.000009 0.000018 -0.000004 0Rh 1f-1 0.000008 -0.000003 -0.000007 0.000015 0.000016 0.000035 0Rh 1f+2 0.000064 0.000021 0.000007 0.000028 -0.000017 -0.000011 0Rh 1f-2 0.000031 0.000004 0.000034 -0.000002 0.000031 -0.000013 0Rh 1f+3 0.000061 0.000024 -0.000019 -0.000009 0.000006 0.000003 0Rh 1f-3 0.000045 0.000014 -0.000008 0.000022 -0.000005 0.000014 1Rh 1s -0.000085 -0.000005 -0.000000 0.000001 0.000000 -0.000000 1Rh 2s 0.000523 -0.000001 -0.000003 0.000005 0.000003 -0.000005 1Rh 3s -0.000098 -0.000028 -0.000003 0.000007 0.000004 -0.000006 1Rh 4s -0.001179 0.000052 0.000007 -0.000020 -0.000009 0.000017 1Rh 5s 0.000662 -0.000251 0.000022 0.000007 -0.000016 0.000001 1Rh 6s -0.000380 0.000654 -0.000123 0.000072 0.000111 -0.000092 1Rh 7s 0.001947 -0.002536 0.000429 -0.000322 -0.000475 0.000313 1Rh 8s -0.001204 -0.000614 0.000518 -0.000353 -0.000406 0.000477 1Rh 1pz 0.000004 0.000004 -0.000002 -0.000002 0.000004 0.000003 1Rh 1px -0.000137 -0.000011 -0.000001 -0.000002 0.000000 0.000001 1Rh 1py -0.000002 -0.000002 0.000004 0.000004 0.000003 0.000003 1Rh 2pz -0.000020 -0.000020 0.000012 0.000011 -0.000019 -0.000016 1Rh 2px 0.000360 0.000043 0.000004 0.000009 -0.000002 -0.000006 1Rh 2py 0.000008 0.000009 -0.000019 -0.000017 -0.000012 -0.000012 1Rh 3pz 0.000094 0.000128 -0.000074 -0.000065 0.000119 0.000101 1Rh 3px -0.000123 -0.000217 -0.000026 -0.000054 0.000010 0.000038 1Rh 3py -0.000027 -0.000058 0.000115 0.000107 0.000077 0.000078 1Rh 4pz -0.000149 -0.000340 0.000194 0.000169 -0.000308 -0.000265 1Rh 4px 0.000118 0.000646 0.000065 0.000140 -0.000026 -0.000101 1Rh 4py 0.000038 0.000158 -0.000300 -0.000279 -0.000199 -0.000204 1Rh 5pz 0.000209 0.000427 -0.000255 -0.000226 0.000404 0.000350 1Rh 5px 0.000015 -0.000949 -0.000084 -0.000173 0.000046 0.000136 1Rh 5py -0.000032 -0.000198 0.000396 0.000371 0.000263 0.000268 1Rh 6pz -0.001031 0.001069 -0.000077 0.000061 0.000077 0.000015 1Rh 6px -0.000876 -0.001454 -0.000219 -0.000146 -0.000194 -0.000220 1Rh 6py -0.000383 -0.000601 0.000095 -0.000153 0.000049 0.000082 1Rh 1dz2 0.476903 0.017590 0.000001 -0.000002 0.000001 0.000000 1Rh 1dxz 0.146680 0.005526 0.000001 0.000000 -0.000002 -0.000001 1Rh 1dyz -0.004522 -0.000120 0.000003 -0.000002 0.000002 -0.000003 1Rh 1dx2y2 -0.598682 -0.022146 0.000000 0.000001 0.000001 -0.000001 1Rh 1dxy -0.085815 -0.003241 -0.000000 -0.000002 0.000000 -0.000002 1Rh 2dz2 0.174861 0.006468 -0.000008 0.000014 -0.000008 0.000000 1Rh 2dxz 0.053786 0.002051 -0.000008 -0.000000 0.000014 0.000004 1Rh 2dyz -0.001576 -0.000037 -0.000022 0.000015 -0.000016 0.000019 1Rh 2dx2y2 -0.219594 -0.008164 -0.000001 -0.000010 -0.000010 0.000010 1Rh 2dxy -0.031306 -0.001198 0.000002 0.000014 -0.000001 0.000015 1Rh 3dz2 0.033888 0.001196 0.000022 -0.000038 0.000020 0.000001 1Rh 3dxz 0.010511 0.000328 0.000025 -0.000002 -0.000040 -0.000009 1Rh 3dyz -0.000234 -0.000017 0.000061 -0.000041 0.000044 -0.000051 1Rh 3dx2y2 -0.042602 -0.001460 0.000001 0.000029 0.000029 -0.000030 1Rh 3dxy -0.006145 -0.000188 -0.000007 -0.000038 0.000005 -0.000041 1Rh 4dz2 -0.003957 -0.000035 -0.000044 0.000072 -0.000015 -0.000012 1Rh 4dxz -0.001565 0.000055 -0.000058 0.000020 0.000085 -0.000000 1Rh 4dyz -0.000135 0.000009 -0.000093 0.000065 -0.000059 0.000080 1Rh 4dx2y2 0.005196 -0.000039 0.000023 -0.000073 -0.000075 0.000073 1Rh 4dxy 0.000844 -0.000049 0.000022 0.000054 -0.000011 0.000073 1Rh 5dz2 0.002856 0.000178 0.000021 -0.000020 -0.000190 0.000118 1Rh 5dxz 0.001721 0.000390 0.000126 -0.000139 -0.000119 0.000123 1Rh 5dyz 0.000391 0.000111 -0.000182 0.000119 -0.000222 0.000135 1Rh 5dx2y2 -0.004173 -0.000349 -0.000221 0.000197 0.000181 -0.000157 1Rh 5dxy -0.000863 -0.000153 -0.000112 0.000119 -0.000013 0.000019 1Rh 1f0 -0.000013 -0.000060 0.000019 0.000009 0.000013 -0.000006 1Rh 1f+1 0.000016 0.000021 -0.000009 0.000006 -0.000004 0.000018 1Rh 1f-1 -0.000004 0.000008 0.000016 -0.000007 0.000035 0.000016 1Rh 1f+2 0.000017 0.000065 0.000028 0.000008 -0.000011 -0.000017 1Rh 1f-2 0.000002 0.000031 -0.000004 0.000034 -0.000013 0.000031 1Rh 1f+3 0.000020 0.000062 -0.000008 -0.000020 0.000002 0.000006 1Rh 1f-3 0.000011 0.000046 0.000022 -0.000007 0.000014 -0.000005 2C 1s 0.000000 0.000000 0.000001 -0.000002 0.000335 0.000002 2C 2s -0.000000 -0.000001 0.000008 -0.000006 0.000546 0.000000 2C 3s 0.000046 -0.000198 -0.000207 0.000157 -0.000356 0.000084 2C 4s -0.000114 0.001111 0.001167 -0.000952 0.005016 -0.000412 2C 5s -0.001658 -0.000597 -0.000210 -0.000505 -0.005669 -0.001890 2C 1pz 0.000021 -0.000026 -0.000015 0.000019 0.000010 0.000016 2C 1px 0.000004 -0.000015 -0.000001 0.000005 0.000030 0.000003 2C 1py 0.000013 -0.000015 -0.000014 0.000006 0.000006 0.000010 2C 2pz -0.000167 0.000718 0.000446 -0.000493 0.002107 -0.000229 2C 2px -0.000148 0.000102 0.000060 -0.000108 -0.000011 -0.000033 2C 2py -0.000128 0.000402 0.000390 -0.000238 0.001410 -0.000154 2C 3pz -0.000379 -0.000088 0.000152 0.000043 -0.001798 -0.000488 2C 3px 0.000179 0.000160 0.000059 0.000118 -0.000853 -0.000090 2C 3py -0.000330 0.000007 -0.000265 -0.000292 -0.001168 -0.000333 2C 1dz2 0.000003 0.000017 -0.000001 -0.000020 -0.000109 -0.000003 2C 1dxz -0.000013 -0.000006 0.000008 -0.000006 -0.000071 -0.000001 2C 1dyz 0.000003 0.000012 0.000021 -0.000007 -0.000127 -0.000005 2C 1dx2y2 -0.000003 -0.000018 -0.000015 0.000002 0.000084 0.000002 2C 1dxy -0.000007 -0.000013 -0.000007 -0.000009 -0.000007 -0.000001 2C 2dz2 -0.000023 0.000160 0.000118 -0.000064 0.000046 -0.000046 2C 2dxz 0.000042 0.000048 0.000046 -0.000034 0.000414 -0.000030 2C 2dyz -0.000114 0.000273 0.000119 -0.000132 -0.000306 -0.000063 2C 2dx2y2 0.000012 -0.000046 -0.000025 0.000055 -0.000409 0.000029 2C 2dxy -0.000013 0.000100 0.000031 -0.000013 -0.000137 -0.000010 2C 1f0 0.000002 0.000008 0.000003 -0.000012 -0.000092 -0.000003 2C 1f+1 -0.000007 0.000011 0.000008 -0.000018 -0.000186 -0.000007 2C 1f-1 -0.000003 0.000038 0.000016 -0.000012 -0.000471 -0.000007 2C 1f+2 0.000011 -0.000026 -0.000023 0.000009 0.000246 0.000008 2C 1f-2 -0.000003 0.000011 0.000011 -0.000008 -0.000099 -0.000007 2C 1f+3 0.000003 -0.000003 -0.000001 0.000003 -0.000136 0.000001 2C 1f-3 -0.000008 0.000008 0.000010 -0.000005 -0.000115 -0.000003 3C 1s 0.000000 0.000001 -0.000335 -0.000008 0.000003 -0.000003 3C 2s -0.000000 -0.000003 -0.000546 -0.000009 0.000002 0.000002 3C 3s 0.000024 -0.000297 0.000352 -0.000082 0.000147 -0.000205 3C 4s 0.000021 0.001742 -0.004962 0.000354 -0.000866 0.001110 3C 5s -0.001542 -0.000899 0.005640 0.002000 -0.000667 -0.000283 3C 1pz 0.000005 -0.000016 0.000009 -0.000009 0.000005 -0.000013 3C 1px 0.000005 -0.000018 -0.000022 -0.000007 0.000005 -0.000005 3C 1py -0.000021 0.000040 0.000018 0.000016 -0.000020 0.000014 3C 2pz 0.000009 0.000584 -0.001437 0.000123 -0.000187 0.000340 3C 2px -0.000100 0.000310 -0.000513 0.000084 -0.000142 0.000166 3C 2py 0.000118 -0.001095 0.001958 -0.000204 0.000476 -0.000408 3C 3pz -0.000258 -0.000009 0.000726 0.000325 -0.000323 -0.000263 3C 3px 0.000047 0.000147 0.000962 0.000175 -0.000072 -0.000060 3C 3py 0.000401 0.000173 -0.001940 -0.000525 -0.000049 -0.000171 3C 1dz2 -0.000002 0.000002 -0.000005 -0.000000 0.000015 0.000016 3C 1dxz -0.000003 0.000010 0.000071 0.000003 -0.000006 0.000011 3C 1dyz -0.000003 -0.000021 -0.000101 -0.000006 0.000010 -0.000014 3C 1dx2y2 -0.000007 -0.000031 -0.000132 -0.000005 0.000016 -0.000011 3C 1dxy 0.000007 0.000001 -0.000089 -0.000004 0.000007 -0.000014 3C 2dz2 0.000038 -0.000092 -0.000169 -0.000012 0.000001 -0.000056 3C 2dxz 0.000024 0.000115 -0.000280 0.000023 -0.000048 0.000032 3C 2dyz 0.000068 -0.000395 -0.000440 -0.000063 0.000122 -0.000110 3C 2dx2y2 0.000026 -0.000202 0.000308 -0.000050 0.000068 -0.000101 3C 2dxy -0.000006 -0.000200 0.000105 -0.000041 0.000068 -0.000067 3C 1f0 0.000001 -0.000023 -0.000287 -0.000006 0.000004 -0.000008 3C 1f+1 -0.000003 0.000007 0.000037 0.000004 -0.000004 0.000009 3C 1f-1 -0.000002 -0.000009 -0.000100 -0.000000 -0.000007 -0.000006 3C 1f+2 0.000003 -0.000048 -0.000247 -0.000011 0.000012 -0.000019 3C 1f-2 0.000002 -0.000034 -0.000262 -0.000013 0.000015 -0.000024 3C 1f+3 0.000001 0.000031 0.000314 0.000013 -0.000022 0.000015 3C 1f-3 0.000007 -0.000027 -0.000213 -0.000009 0.000018 -0.000009 4C 1s -0.000001 0.000002 0.003127 -0.003374 0.467680 0.001839 4C 2s 0.000006 -0.000013 0.004050 -0.004373 0.609099 0.002403 4C 3s -0.000295 0.000504 0.000564 -0.000526 0.030924 0.000009 4C 4s 0.001567 -0.002297 -0.001501 0.001235 -0.011615 0.000383 4C 5s 0.000904 -0.000381 0.002176 -0.001847 0.011625 -0.000178 4C 1pz -0.000035 -0.000007 -0.000018 -0.000022 0.000574 -0.000003 4C 1px 0.000016 0.000006 -0.000017 -0.000012 0.000113 -0.000006 4C 1py -0.000012 0.000004 0.000034 0.000028 0.000404 -0.000006 4C 2pz 0.000469 0.000422 0.000326 -0.000150 0.004839 -0.000102 4C 2px -0.000489 -0.000498 0.000207 0.000014 0.000730 0.000121 4C 2py 0.000107 0.000041 0.000015 -0.000315 0.003174 -0.000008 4C 3pz -0.000555 -0.000643 0.001049 -0.001652 -0.001413 -0.001810 4C 3px -0.000165 -0.000561 0.000201 -0.000405 -0.000316 -0.000284 4C 3py -0.000261 -0.000570 0.001235 -0.000669 -0.000949 -0.001194 4C 1dz2 -0.000007 0.000017 0.000025 -0.000002 -0.000139 -0.000009 4C 1dxz -0.000019 0.000022 0.000031 -0.000015 -0.000658 -0.000013 4C 1dyz 0.000015 0.000015 -0.000008 -0.000008 0.000664 0.000008 4C 1dx2y2 0.000014 -0.000030 -0.000026 0.000040 0.001124 0.000025 4C 1dxy 0.000014 -0.000003 -0.000011 0.000012 0.000691 0.000015 4C 2dz2 0.000239 -0.000063 -0.000258 0.000206 -0.001958 0.000085 4C 2dxz -0.000234 -0.000409 -0.000187 0.000196 -0.002319 0.000136 4C 2dyz 0.000135 -0.000457 -0.000215 0.000226 -0.001080 0.000081 4C 2dx2y2 0.000029 0.000016 0.000241 -0.000293 0.003260 -0.000134 4C 2dxy -0.000214 -0.000363 0.000032 -0.000041 0.000943 -0.000004 4C 1f0 -0.000015 0.000031 0.000006 0.000000 -0.000546 -0.000002 4C 1f+1 -0.000027 0.000039 0.000009 0.000000 -0.001206 -0.000002 4C 1f-1 0.000002 0.000051 0.000029 -0.000026 -0.000246 -0.000021 4C 1f+2 0.000035 -0.000032 -0.000016 0.000009 0.001017 0.000005 4C 1f-2 -0.000036 -0.000013 0.000012 -0.000011 -0.000076 -0.000003 4C 1f+3 -0.000002 0.000024 0.000005 -0.000002 0.000109 -0.000006 4C 1f-3 0.000002 0.000059 -0.000002 0.000001 -0.001024 -0.000003 5C 1s -0.000001 0.000003 -0.467604 -0.009357 0.003062 -0.001928 5C 2s 0.000006 -0.000020 -0.608995 -0.012194 0.004009 -0.002532 5C 3s -0.000347 0.000709 -0.030908 -0.000502 -0.000101 0.000232 5C 4s 0.001853 -0.003122 0.011656 -0.000204 0.001065 -0.001417 5C 5s 0.001385 -0.000235 -0.011662 0.000059 -0.001748 0.001956 5C 1pz -0.000029 -0.000014 -0.000370 -0.000001 0.000034 0.000031 5C 1px 0.000017 0.000005 -0.000230 -0.000004 0.000006 0.000005 5C 1py 0.000039 0.000018 0.000590 0.000004 0.000016 0.000029 5C 2pz 0.000430 0.000519 -0.002847 -0.000024 -0.000273 -0.000059 5C 2px -0.000355 -0.000461 -0.001654 0.000033 -0.000060 0.000018 5C 2py -0.000553 -0.000662 0.004690 0.000014 0.000085 -0.000305 5C 3pz -0.000206 -0.000506 0.000788 0.001103 -0.000601 0.001054 5C 3px -0.000365 -0.000779 0.000608 0.000732 -0.000479 0.000582 5C 3py 0.000289 0.000820 -0.001296 -0.001859 0.001734 -0.000941 5C 1dz2 -0.000014 0.000007 0.000832 0.000029 -0.000040 0.000014 5C 1dxz -0.000020 0.000035 0.000628 0.000026 -0.000035 0.000023 5C 1dyz -0.000018 -0.000017 0.000898 0.000029 -0.000012 0.000026 5C 1dx2y2 0.000004 -0.000042 -0.000833 -0.000035 0.000035 -0.000049 5C 1dxy 0.000001 -0.000031 -0.000046 -0.000007 0.000011 -0.000013 5C 2dz2 -0.000020 0.000356 0.001316 -0.000026 0.000074 0.000004 5C 2dxz -0.000132 -0.000359 0.002269 -0.000067 0.000198 -0.000160 5C 2dyz -0.000222 0.000467 -0.000231 0.000045 -0.000137 0.000132 5C 2dx2y2 -0.000016 0.000082 -0.003469 0.000122 -0.000277 0.000264 5C 2dxy 0.000247 0.000694 -0.001583 0.000058 -0.000187 0.000188 5C 1f0 -0.000022 -0.000029 0.000409 -0.000006 0.000011 -0.000015 5C 1f+1 -0.000011 0.000064 0.000796 0.000011 -0.000009 0.000008 5C 1f-1 -0.000005 -0.000018 -0.000067 -0.000002 0.000004 -0.000004 5C 1f+2 0.000008 -0.000029 -0.000175 -0.000015 0.000022 -0.000020 5C 1f-2 0.000049 -0.000028 -0.000888 -0.000024 0.000021 -0.000025 5C 1f+3 -0.000041 0.000098 0.000981 0.000025 -0.000022 0.000029 5C 1f-3 0.000012 -0.000067 -0.001135 -0.000020 0.000016 -0.000024 6C 1s -0.000003 0.000001 -0.009328 0.467601 0.003439 -0.002116 6C 2s 0.000021 -0.000005 -0.012140 0.608992 0.004500 -0.002778 6C 3s -0.000733 0.000297 -0.000733 0.030903 -0.000134 0.000161 6C 4s 0.003255 -0.001640 0.000667 -0.011640 0.001384 -0.001076 6C 5s 0.000336 -0.001376 -0.000524 0.011644 -0.001922 0.001750 6C 1pz -0.000012 -0.000030 0.000014 -0.000370 0.000030 0.000034 6C 1px 0.000004 0.000018 0.000006 -0.000230 0.000004 0.000005 6C 1py 0.000015 0.000041 -0.000019 0.000589 0.000030 0.000018 6C 2pz 0.000486 0.000472 0.000088 -0.002845 -0.000066 -0.000280 6C 2px -0.000434 -0.000397 0.000100 -0.001650 0.000012 -0.000064 6C 2py -0.000619 -0.000606 -0.000173 0.004689 -0.000290 0.000093 6C 3pz -0.000491 -0.000234 0.001064 0.000824 0.001060 -0.000600 6C 3px -0.000750 -0.000427 0.000705 0.000635 0.000588 -0.000477 6C 3py 0.000798 0.000334 -0.001791 -0.001368 -0.000959 0.001737 6C 1dz2 -0.000008 0.000013 0.000005 -0.000832 -0.000017 0.000038 6C 1dxz -0.000036 0.000018 -0.000001 -0.000629 -0.000025 0.000034 6C 1dyz 0.000016 0.000020 0.000007 -0.000898 -0.000029 0.000010 6C 1dx2y2 0.000043 -0.000001 0.000002 0.000834 0.000052 -0.000033 6C 1dxy 0.000031 0.000001 0.000005 0.000045 0.000013 -0.000011 6C 2dz2 -0.000357 -0.000005 0.000078 -0.001313 -0.000008 -0.000077 6C 2dxz 0.000348 0.000161 0.000157 -0.002268 0.000155 -0.000203 6C 2dyz -0.000482 0.000190 -0.000054 0.000229 -0.000132 0.000137 6C 2dx2y2 -0.000082 0.000008 -0.000260 0.003462 -0.000255 0.000284 6C 2dxy -0.000674 -0.000301 -0.000120 0.001579 -0.000185 0.000190 6C 1f0 -0.000027 -0.000025 -0.000022 0.000408 -0.000014 0.000012 6C 1f+1 0.000064 -0.000006 -0.000021 0.000796 0.000011 -0.000008 6C 1f-1 -0.000018 -0.000006 0.000000 -0.000067 -0.000004 0.000004 6C 1f+2 -0.000030 0.000006 -0.000008 -0.000174 -0.000021 0.000022 6C 1f-2 -0.000032 0.000048 0.000012 -0.000889 -0.000028 0.000020 6C 1f+3 0.000101 -0.000034 -0.000015 0.000980 0.000032 -0.000020 6C 1f-3 -0.000068 0.000008 0.000025 -0.001135 -0.000028 0.000014 7C 1s -0.000002 0.000001 0.001987 -0.002095 0.001813 -0.467694 7C 2s 0.000014 -0.000006 0.002566 -0.002708 0.002353 -0.609117 7C 3s -0.000529 0.000258 0.000449 -0.000482 0.000231 -0.030925 7C 4s 0.002429 -0.001396 -0.001265 0.001420 -0.000466 0.011613 7C 5s 0.000456 -0.000871 0.001911 -0.002055 0.000261 -0.011629 7C 1pz -0.000004 -0.000036 -0.000020 -0.000020 -0.000007 0.000573 7C 1px 0.000006 0.000016 -0.000011 -0.000018 -0.000007 0.000113 7C 1py 0.000005 -0.000012 0.000028 0.000034 -0.000009 0.000404 7C 2pz 0.000385 0.000502 -0.000145 0.000310 -0.000139 0.004836 7C 2px -0.000468 -0.000529 0.000009 0.000207 0.000116 0.000720 7C 2py 0.000031 0.000110 -0.000306 -0.000001 -0.000033 0.003189 7C 3pz -0.000603 -0.000597 -0.001684 0.001009 -0.001786 -0.001408 7C 3px -0.000550 -0.000208 -0.000412 0.000191 -0.000278 -0.000316 7C 3py -0.000552 -0.000306 -0.000713 0.001225 -0.001182 -0.000958 7C 1dz2 -0.000018 0.000006 0.000004 -0.000026 0.000008 0.000143 7C 1dxz -0.000023 0.000017 0.000019 -0.000032 0.000008 0.000660 7C 1dyz -0.000014 -0.000016 0.000006 0.000009 -0.000002 -0.000667 7C 1dx2y2 0.000031 -0.000012 -0.000045 0.000026 -0.000016 -0.001122 7C 1dxy 0.000004 -0.000014 -0.000015 0.000012 -0.000010 -0.000690 7C 2dz2 0.000077 -0.000233 -0.000207 0.000247 -0.000098 0.001956 7C 2dxz 0.000390 0.000266 -0.000194 0.000176 -0.000152 0.002318 7C 2dyz 0.000469 -0.000102 -0.000231 0.000205 -0.000089 0.001083 7C 2dx2y2 -0.000013 -0.000030 0.000291 -0.000227 0.000158 -0.003267 7C 2dxy 0.000349 0.000241 0.000039 -0.000030 0.000011 -0.000943 7C 1f0 0.000032 -0.000013 -0.000002 0.000007 0.000002 -0.000546 7C 1f+1 0.000041 -0.000024 -0.000004 0.000011 0.000008 -0.001204 7C 1f-1 0.000051 0.000006 -0.000028 0.000028 -0.000019 -0.000246 7C 1f+2 -0.000035 0.000033 0.000013 -0.000018 -0.000003 0.001016 7C 1f-2 -0.000011 -0.000037 -0.000011 0.000011 -0.000003 -0.000078 7C 1f+3 0.000025 0.000000 -0.000002 0.000005 -0.000007 0.000111 7C 1f-3 0.000060 0.000006 -0.000003 -0.000000 0.000005 -0.001027 8C 1s -0.000001 -0.000000 -0.000006 0.000335 0.000004 -0.000002 8C 2s 0.000003 0.000001 -0.000013 0.000546 -0.000000 -0.000001 8C 3s 0.000298 -0.000002 0.000096 -0.000348 0.000204 -0.000147 8C 4s -0.001737 -0.000149 -0.000550 0.004947 -0.001096 0.000872 8C 5s 0.000787 0.001596 -0.001757 -0.005705 0.000249 0.000671 8C 1pz -0.000016 0.000004 -0.000009 0.000008 -0.000013 0.000005 8C 1px -0.000019 0.000004 -0.000006 -0.000022 -0.000005 0.000005 8C 1py 0.000041 -0.000018 0.000015 0.000018 0.000014 -0.000020 8C 2pz 0.000583 0.000051 0.000180 -0.001431 0.000336 -0.000189 8C 2px 0.000318 -0.000078 0.000104 -0.000502 0.000164 -0.000142 8C 2py -0.001100 0.000038 -0.000280 0.001953 -0.000404 0.000478 8C 3pz 0.000009 -0.000255 0.000292 0.000742 -0.000257 -0.000325 8C 3px 0.000142 0.000061 0.000134 0.000977 -0.000057 -0.000072 8C 3py 0.000142 0.000412 -0.000445 -0.001951 -0.000178 -0.000050 8C 1dz2 -0.000002 0.000002 -0.000000 0.000005 -0.000016 -0.000015 8C 1dxz -0.000010 0.000003 -0.000000 -0.000071 -0.000012 0.000006 8C 1dyz 0.000021 0.000005 0.000002 0.000101 0.000015 -0.000009 8C 1dx2y2 0.000031 0.000009 0.000000 0.000132 0.000011 -0.000015 8C 1dxy -0.000001 -0.000007 0.000001 0.000089 0.000014 -0.000007 8C 2dz2 0.000094 -0.000031 0.000006 0.000171 0.000057 0.000000 8C 2dxz -0.000112 -0.000033 -0.000034 0.000282 -0.000031 0.000049 8C 2dyz 0.000399 -0.000039 0.000045 0.000443 0.000112 -0.000120 8C 2dx2y2 0.000204 -0.000012 0.000062 -0.000304 0.000100 -0.000069 8C 2dxy 0.000199 0.000020 0.000045 -0.000106 0.000067 -0.000069 8C 1f0 -0.000023 -0.000000 0.000006 -0.000287 -0.000009 0.000003 8C 1f+1 0.000007 -0.000002 0.000002 0.000039 0.000009 -0.000003 8C 1f-1 -0.000009 -0.000003 0.000004 -0.000099 -0.000006 -0.000007 8C 1f+2 -0.000049 -0.000000 -0.000001 -0.000247 -0.000020 0.000012 8C 1f-2 -0.000035 -0.000000 -0.000003 -0.000261 -0.000025 0.000015 8C 1f+3 0.000031 0.000003 0.000000 0.000315 0.000016 -0.000021 8C 1f-3 -0.000028 0.000005 -0.000001 -0.000213 -0.000009 0.000017 9C 1s -0.000000 -0.000000 0.000001 -0.000000 0.000000 -0.000336 9C 2s 0.000001 0.000000 0.000005 -0.000006 0.000004 -0.000546 9C 3s 0.000201 -0.000031 -0.000165 0.000198 -0.000086 0.000357 9C 4s -0.001121 0.000029 0.000985 -0.001113 0.000446 -0.005020 9C 5s 0.000474 0.001701 0.000482 0.000163 0.001840 0.005669 9C 1pz -0.000027 0.000019 0.000019 -0.000014 0.000016 0.000010 9C 1px -0.000015 0.000003 0.000005 -0.000001 0.000003 0.000030 9C 1py -0.000016 0.000012 0.000007 -0.000014 0.000010 0.000007 9C 2pz 0.000727 -0.000111 -0.000503 0.000424 -0.000243 0.002112 9C 2px 0.000112 -0.000141 -0.000110 0.000056 -0.000033 -0.000019 9C 2py 0.000416 -0.000100 -0.000249 0.000380 -0.000164 0.001407 9C 3pz -0.000057 -0.000386 0.000037 0.000167 -0.000472 -0.001789 9C 3px 0.000146 0.000195 0.000114 0.000064 -0.000081 -0.000856 9C 3py 0.000029 -0.000325 -0.000282 -0.000265 -0.000325 -0.001185 9C 1dz2 -0.000017 -0.000004 0.000020 0.000002 0.000002 0.000108 9C 1dxz 0.000005 0.000013 0.000007 -0.000008 0.000001 0.000071 9C 1dyz -0.000012 -0.000004 0.000008 -0.000021 0.000004 0.000128 9C 1dx2y2 0.000018 0.000004 -0.000003 0.000015 -0.000002 -0.000085 9C 1dxy 0.000012 0.000008 0.000009 0.000007 0.000001 0.000007 9C 2dz2 -0.000162 0.000012 0.000067 -0.000115 0.000046 -0.000041 9C 2dxz -0.000045 -0.000046 0.000033 -0.000043 0.000033 -0.000417 9C 2dyz -0.000281 0.000093 0.000138 -0.000115 0.000060 0.000304 9C 2dx2y2 0.000048 -0.000008 -0.000055 0.000024 -0.000032 0.000413 9C 2dxy -0.000099 0.000005 0.000015 -0.000030 0.000009 0.000137 9C 1f0 0.000008 0.000003 -0.000013 0.000002 -0.000002 -0.000089 9C 1f+1 0.000012 -0.000006 -0.000019 0.000007 -0.000006 -0.000184 9C 1f-1 0.000038 0.000000 -0.000014 0.000016 -0.000004 -0.000471 9C 1f+2 -0.000027 0.000009 0.000011 -0.000023 0.000006 0.000246 9C 1f-2 0.000011 -0.000002 -0.000009 0.000011 -0.000006 -0.000099 9C 1f+3 -0.000003 0.000003 0.000003 -0.000000 0.000002 -0.000135 9C 1f-3 0.000008 -0.000007 -0.000006 0.000010 -0.000002 -0.000120 10H 1s 0.000001 -0.000006 -0.000016 0.000012 0.000068 -0.000003 10H 2s 0.000124 -0.000011 0.000043 -0.000033 0.000410 0.000007 10H 3s -0.000062 0.000016 0.000071 -0.000040 0.000216 0.000031 10H 1pz 0.000004 -0.000000 -0.000003 0.000003 -0.000083 -0.000003 10H 1px -0.000019 0.000003 0.000005 -0.000005 -0.000181 -0.000003 10H 1py 0.000002 -0.000004 -0.000003 0.000000 -0.000050 -0.000003 11H 1s -0.000020 0.000012 -0.000006 0.000001 -0.000111 -0.000002 11H 2s 0.000000 0.000030 -0.000028 -0.000025 -0.000536 0.000038 11H 3s 0.000313 0.000038 0.000219 0.000175 -0.000291 0.000069 11H 1pz 0.000005 -0.000010 -0.000024 0.000006 -0.000111 0.000004 11H 1px -0.000014 0.000009 -0.000014 -0.000005 -0.000087 0.000004 11H 1py 0.000013 -0.000008 0.000004 0.000009 -0.000093 -0.000002 12H 1s -0.000011 0.000003 -0.000008 0.000007 -0.000049 -0.000002 12H 2s 0.000036 -0.000070 0.000040 0.000009 -0.000361 0.000027 12H 3s 0.000170 0.000116 -0.000048 -0.000070 -0.000144 0.000057 12H 1pz 0.000000 -0.000010 -0.000008 0.000005 -0.000158 -0.000001 12H 1px -0.000008 0.000003 0.000002 0.000005 -0.000106 0.000002 12H 1py 0.000000 -0.000024 -0.000004 0.000019 -0.000050 0.000003 13H 1s -0.000001 -0.000008 -0.000057 0.000000 0.000012 -0.000016 13H 2s 0.000106 -0.000012 -0.000322 -0.000017 -0.000027 0.000047 13H 3s -0.000017 0.000052 -0.000195 -0.000024 -0.000025 0.000051 13H 1pz 0.000010 -0.000010 -0.000043 -0.000000 0.000005 -0.000004 13H 1px -0.000009 0.000002 0.000145 0.000007 -0.000006 0.000002 13H 1py -0.000001 0.000002 -0.000131 -0.000005 -0.000001 -0.000000 14H 1s -0.000012 0.000002 0.000026 0.000003 0.000007 -0.000010 14H 2s 0.000028 -0.000073 0.000247 -0.000013 0.000004 0.000040 14H 3s 0.000205 0.000178 0.000066 -0.000059 -0.000056 -0.000009 14H 1pz 0.000004 -0.000029 -0.000003 0.000000 0.000013 -0.000006 14H 1px -0.000007 -0.000014 0.000073 -0.000001 0.000012 -0.000000 14H 1py -0.000003 0.000011 -0.000184 -0.000005 -0.000002 0.000003 15H 1s -0.000014 0.000018 0.000125 0.000005 -0.000003 -0.000005 15H 2s -0.000012 0.000030 0.000542 -0.000028 -0.000035 -0.000023 15H 3s 0.000177 -0.000001 0.000329 -0.000069 0.000201 0.000258 15H 1pz 0.000006 -0.000022 0.000041 0.000003 0.000013 0.000008 15H 1px -0.000007 0.000002 0.000086 -0.000000 -0.000001 -0.000005 15H 1py 0.000009 0.000017 -0.000121 0.000003 -0.000003 0.000025 16H 1s -0.000007 -0.000081 0.000005 0.000001 0.000008 0.000006 16H 2s 0.000057 0.000588 0.000003 -0.000024 -0.000166 -0.000068 16H 3s 0.000060 -0.000260 -0.000140 0.000136 0.000217 -0.000065 16H 1pz 0.000015 0.000089 -0.000001 -0.000008 -0.000021 -0.000010 16H 1px -0.000015 -0.000037 -0.000000 -0.000007 0.000001 -0.000004 16H 1py -0.000001 -0.000021 0.000014 0.000006 -0.000011 -0.000001 17H 1s -0.000011 -0.000064 0.000006 0.000009 0.000001 0.000005 17H 2s 0.000066 0.000711 -0.000075 -0.000197 -0.000018 0.000014 17H 3s -0.000034 0.000043 -0.000072 0.000210 0.000135 -0.000145 17H 1pz -0.000009 -0.000026 0.000010 0.000021 0.000009 0.000001 17H 1px -0.000003 -0.000161 0.000005 0.000022 0.000000 -0.000001 17H 1py 0.000002 0.000002 -0.000003 -0.000019 0.000005 0.000015 18H 1s 0.000063 0.000015 -0.000009 -0.000007 -0.000004 -0.000000 18H 2s -0.000705 -0.000117 0.000194 0.000085 -0.000020 0.000012 18H 3s -0.000046 0.000031 -0.000211 0.000064 0.000147 -0.000131 18H 1pz -0.000026 -0.000011 0.000021 0.000012 -0.000000 0.000008 18H 1px -0.000161 -0.000015 0.000022 0.000006 -0.000002 -0.000001 18H 1py -0.000000 0.000002 -0.000018 -0.000004 0.000016 0.000006 19H 1s 0.000080 0.000013 -0.000001 -0.000006 -0.000006 -0.000008 19H 2s -0.000585 -0.000100 0.000030 0.000003 0.000065 0.000164 19H 3s 0.000258 -0.000039 -0.000143 0.000135 0.000067 -0.000216 19H 1pz 0.000089 0.000022 -0.000009 -0.000002 -0.000009 -0.000020 19H 1px -0.000037 -0.000017 -0.000007 -0.000000 -0.000004 0.000001 19H 1py -0.000019 -0.000002 0.000005 0.000014 -0.000001 -0.000011 20H 1s -0.000019 0.000012 0.000000 -0.000124 0.000005 0.000002 20H 2s -0.000029 0.000010 0.000049 -0.000540 0.000022 0.000033 20H 3s 0.000011 -0.000175 0.000080 -0.000323 -0.000255 -0.000203 20H 1pz -0.000022 0.000005 0.000001 0.000041 0.000009 0.000013 20H 1px 0.000002 -0.000007 -0.000004 0.000087 -0.000005 -0.000001 20H 1py 0.000016 0.000011 0.000008 -0.000120 0.000025 -0.000004 21H 1s -0.000003 0.000012 -0.000001 -0.000028 0.000010 -0.000007 21H 2s 0.000073 -0.000022 0.000023 -0.000255 -0.000040 -0.000005 21H 3s -0.000160 -0.000219 0.000061 -0.000070 0.000011 0.000056 21H 1pz -0.000029 0.000002 0.000000 -0.000003 -0.000006 0.000013 21H 1px -0.000013 -0.000008 -0.000004 0.000075 0.000000 0.000012 21H 1py 0.000012 -0.000003 0.000003 -0.000183 0.000003 -0.000003 22H 1s 0.000008 0.000002 -0.000003 0.000058 0.000016 -0.000012 22H 2s 0.000021 -0.000105 0.000004 0.000329 -0.000046 0.000028 22H 3s -0.000054 0.000013 0.000015 0.000198 -0.000051 0.000025 22H 1pz -0.000010 0.000009 0.000001 -0.000042 -0.000004 0.000005 22H 1px 0.000003 -0.000009 0.000001 0.000147 0.000003 -0.000006 22H 1py 0.000002 -0.000001 0.000001 -0.000130 -0.000001 -0.000001 23H 1s -0.000004 0.000011 -0.000007 0.000008 0.000002 0.000052 23H 2s 0.000070 -0.000030 -0.000007 -0.000040 -0.000031 0.000373 23H 3s -0.000100 -0.000183 0.000073 0.000058 -0.000058 0.000151 23H 1pz -0.000010 -0.000000 0.000005 -0.000008 -0.000000 -0.000156 23H 1px 0.000004 -0.000008 0.000005 0.000003 0.000003 -0.000107 23H 1py -0.000024 -0.000002 0.000019 -0.000003 0.000004 -0.000054 24H 1s -0.000013 0.000019 -0.000001 0.000006 0.000002 0.000109 24H 2s -0.000027 -0.000003 0.000027 0.000026 -0.000041 0.000533 24H 3s -0.000019 -0.000316 -0.000161 -0.000217 -0.000072 0.000288 24H 1pz -0.000011 0.000005 0.000007 -0.000023 0.000005 -0.000111 24H 1px 0.000010 -0.000014 -0.000005 -0.000014 0.000005 -0.000087 24H 1py -0.000008 0.000012 0.000009 0.000004 -0.000001 -0.000096 25H 1s 0.000006 -0.000001 -0.000013 0.000016 0.000003 -0.000069 25H 2s 0.000021 -0.000124 0.000034 -0.000040 -0.000004 -0.000418 25H 3s -0.000021 0.000063 0.000044 -0.000067 -0.000029 -0.000218 25H 1pz -0.000000 0.000004 0.000003 -0.000002 -0.000003 -0.000080 25H 1px 0.000005 -0.000019 -0.000006 0.000005 -0.000002 -0.000181 25H 1py -0.000004 0.000002 0.000000 -0.000002 -0.000003 -0.000054 26O 1s -0.000000 -0.000001 -0.000000 0.000000 -0.000036 0.000000 26O 2s 0.000004 0.000003 0.000001 -0.000001 -0.000166 -0.000003 26O 3s -0.000051 -0.000140 -0.000020 0.000017 0.001948 0.000040 26O 4s 0.000339 0.000278 0.000121 -0.000097 -0.006319 -0.000096 26O 5s -0.000521 0.002354 -0.001331 0.001247 -0.000739 0.000465 26O 1pz 0.000007 -0.000018 0.000003 -0.000016 -0.000048 0.000006 26O 1px 0.000007 0.000029 -0.000007 -0.000001 -0.000378 -0.000003 26O 1py 0.000004 -0.000002 0.000017 0.000006 -0.000173 0.000003 26O 2pz -0.000020 0.000201 0.000008 0.000044 0.000576 -0.000041 26O 2px -0.000089 -0.000331 0.000045 -0.000016 0.003996 0.000028 26O 2py -0.000036 0.000004 -0.000054 -0.000051 0.001857 -0.000015 26O 3pz -0.000211 0.000867 -0.000058 -0.000029 0.000910 0.000021 26O 3px 0.000198 -0.000300 0.000179 -0.000183 -0.000425 -0.000151 26O 3py 0.000083 0.000410 0.000153 0.000001 0.000367 -0.000049 26O 1dz2 0.000011 0.000008 0.000005 0.000004 -0.000033 0.000000 26O 1dxz -0.000004 0.000006 0.000003 -0.000005 0.000043 0.000002 26O 1dyz 0.000003 0.000010 -0.000004 -0.000003 -0.000034 0.000003 26O 1dx2y2 0.000001 0.000002 -0.000004 0.000003 -0.000011 0.000000 26O 1dxy 0.000004 -0.000006 0.000003 0.000004 0.000011 0.000003 26O 2dz2 -0.000042 -0.000026 -0.000020 -0.000007 0.001062 0.000005 26O 2dxz 0.000015 0.000008 -0.000024 0.000036 -0.000526 -0.000007 26O 2dyz -0.000019 0.000076 0.000003 0.000018 -0.000022 -0.000018 26O 2dx2y2 0.000006 0.000032 0.000027 -0.000020 -0.001044 -0.000012 26O 2dxy -0.000024 0.000114 -0.000016 -0.000008 -0.001288 -0.000023 26O 1f0 -0.000002 -0.000009 -0.000003 0.000004 -0.000070 0.000001 26O 1f+1 -0.000002 0.000023 0.000003 -0.000005 -0.000276 -0.000006 26O 1f-1 -0.000002 -0.000023 -0.000003 0.000001 -0.000138 0.000000 26O 1f+2 -0.000000 0.000005 0.000001 -0.000004 0.000105 0.000000 26O 1f-2 0.000000 0.000015 0.000005 -0.000005 0.000016 -0.000002 26O 1f+3 0.000003 0.000013 0.000007 -0.000002 -0.000108 -0.000003 26O 1f-3 -0.000005 0.000018 0.000001 -0.000001 -0.000325 -0.000005 27O 1s -0.000000 -0.000000 0.000037 0.000001 -0.000000 -0.000000 27O 2s 0.000001 0.000001 0.000166 0.000006 -0.000003 0.000003 27O 3s -0.000008 -0.000109 -0.001933 -0.000065 0.000040 -0.000047 27O 4s 0.000139 0.000208 0.006292 0.000187 -0.000176 0.000209 27O 5s -0.000596 0.002692 0.000859 -0.000743 0.001207 -0.001109 27O 1pz 0.000004 -0.000009 -0.000014 -0.000003 0.000005 0.000018 27O 1px 0.000006 0.000030 0.000407 0.000006 -0.000003 0.000008 27O 1py -0.000001 0.000006 -0.000094 0.000004 0.000019 -0.000004 27O 2pz -0.000005 0.000122 0.000119 0.000025 -0.000034 -0.000064 27O 2px -0.000015 -0.000419 -0.004328 -0.000056 0.000023 -0.000069 27O 2py -0.000017 -0.000062 0.001064 -0.000023 -0.000064 0.000007 27O 3pz -0.000179 0.000696 -0.000582 -0.000060 0.000097 0.000052 27O 3px 0.000340 -0.000168 0.000328 0.000305 -0.000146 0.000130 27O 3py 0.000056 -0.000776 0.000795 0.000009 0.000063 0.000030 27O 1dz2 0.000001 -0.000001 -0.000007 0.000001 -0.000007 -0.000003 27O 1dxz -0.000002 0.000002 -0.000022 -0.000003 -0.000001 0.000006 27O 1dyz -0.000009 -0.000008 -0.000051 0.000000 0.000001 0.000003 27O 1dx2y2 -0.000000 -0.000005 -0.000019 0.000000 0.000001 -0.000006 27O 1dxy -0.000003 0.000005 0.000025 0.000004 0.000007 0.000001 27O 2dz2 0.000009 -0.000086 -0.000935 -0.000025 0.000032 -0.000009 27O 2dxz 0.000011 -0.000013 -0.000032 0.000005 0.000019 -0.000037 27O 2dyz 0.000036 -0.000037 0.000238 -0.000007 -0.000004 -0.000007 27O 2dx2y2 -0.000009 0.000096 0.001579 0.000027 -0.000036 0.000052 27O 2dxy 0.000033 -0.000100 -0.000843 -0.000027 -0.000032 -0.000000 27O 1f0 0.000002 0.000011 -0.000041 -0.000001 0.000000 -0.000004 27O 1f+1 -0.000003 0.000014 0.000253 0.000007 -0.000005 0.000005 27O 1f-1 0.000002 0.000011 -0.000048 0.000001 -0.000002 0.000001 27O 1f+2 -0.000001 0.000031 0.000011 0.000004 -0.000004 0.000006 27O 1f-2 0.000003 -0.000009 -0.000085 -0.000004 0.000002 -0.000005 27O 1f+3 -0.000002 0.000027 0.000318 0.000011 -0.000011 0.000007 27O 1f-3 0.000005 0.000005 -0.000216 -0.000003 -0.000002 0.000000 28O 1s 0.000000 0.000000 -0.000000 0.000000 -0.000037 -0.000000 28O 2s 0.000002 -0.000003 0.000001 -0.000000 -0.000166 -0.000002 28O 3s 0.000077 0.000053 -0.000025 0.000012 0.001956 0.000023 28O 4s -0.000011 -0.000423 0.000124 -0.000078 -0.006428 -0.000051 28O 5s -0.002764 0.000913 -0.001102 0.001233 -0.001110 0.000794 28O 1pz -0.000008 -0.000013 0.000003 -0.000014 -0.000265 0.000003 28O 1px 0.000039 -0.000013 -0.000000 -0.000010 0.000330 -0.000000 28O 1py 0.000017 -0.000007 0.000018 0.000002 -0.000038 0.000002 28O 2pz 0.000031 0.000063 0.000003 0.000029 0.002939 -0.000043 28O 2px -0.000343 0.000003 0.000007 0.000056 -0.003454 0.000013 28O 2py -0.000137 0.000011 -0.000062 -0.000026 0.000481 -0.000022 28O 3pz -0.000800 0.000133 -0.000007 -0.000177 0.000816 -0.000174 28O 3px -0.000549 0.000262 -0.000080 0.000147 0.000669 0.000301 28O 3py -0.000858 0.000336 0.000032 0.000049 0.000713 -0.000002 28O 1dz2 -0.000010 0.000005 0.000004 -0.000001 0.000011 0.000002 28O 1dxz -0.000004 -0.000011 0.000005 0.000003 -0.000034 -0.000001 28O 1dyz -0.000010 -0.000010 -0.000001 -0.000000 -0.000034 0.000001 28O 1dx2y2 -0.000007 0.000004 -0.000000 0.000009 -0.000015 -0.000002 28O 1dxy 0.000007 -0.000014 -0.000007 -0.000001 -0.000044 -0.000002 28O 2dz2 -0.000032 -0.000022 -0.000023 0.000020 -0.000284 -0.000007 28O 2dxz 0.000054 0.000036 -0.000026 -0.000011 0.001796 0.000001 28O 2dyz -0.000088 0.000039 -0.000007 0.000010 -0.000086 -0.000008 28O 2dx2y2 0.000009 -0.000001 0.000021 -0.000040 -0.000897 0.000005 28O 2dxy -0.000050 0.000063 0.000029 -0.000007 0.000448 0.000003 28O 1f0 -0.000012 -0.000001 0.000003 -0.000006 -0.000163 -0.000004 28O 1f+1 -0.000003 0.000005 -0.000000 0.000005 -0.000221 0.000001 28O 1f-1 0.000014 -0.000002 0.000001 -0.000000 -0.000038 -0.000000 28O 1f+2 0.000018 -0.000005 -0.000004 0.000003 0.000339 0.000003 28O 1f-2 0.000016 0.000004 -0.000006 0.000003 -0.000064 0.000003 28O 1f+3 0.000010 -0.000001 -0.000005 0.000004 0.000139 0.000003 28O 1f-3 -0.000014 -0.000001 -0.000001 -0.000001 -0.000094 -0.000001 29O 1s 0.000000 0.000002 -0.000000 0.000000 0.000000 -0.000000 29O 2s -0.000005 -0.000021 0.000003 -0.000005 -0.000006 0.000003 29O 3s 0.000051 0.000170 -0.000021 0.000031 0.000043 -0.000016 29O 4s -0.000133 0.000148 0.000005 -0.000064 -0.000095 -0.000009 29O 5s 0.000190 -0.001908 0.000167 0.000152 0.000147 0.000164 29O 1pz 0.000003 0.000051 -0.000006 0.000011 0.000006 -0.000010 29O 1px -0.000011 -0.000124 0.000021 -0.000025 -0.000028 0.000019 29O 1py -0.000000 -0.000037 -0.000009 -0.000001 -0.000001 -0.000007 29O 2pz -0.000003 -0.000131 0.000030 -0.000027 -0.000045 0.000022 29O 2px 0.000033 0.000315 -0.000067 0.000114 0.000110 -0.000067 29O 2py 0.000009 0.000196 0.000030 -0.000017 -0.000011 0.000030 29O 3pz 0.000016 -0.000312 -0.000008 0.000134 -0.000000 -0.000064 29O 3px -0.000092 0.000555 0.000094 -0.000135 -0.000204 0.000062 29O 3py 0.000054 0.000498 -0.000100 -0.000044 -0.000020 -0.000101 29O 1dz2 -0.000003 -0.000020 0.000003 -0.000002 -0.000004 0.000001 29O 1dxz -0.000003 -0.000066 0.000003 -0.000004 -0.000002 0.000005 29O 1dyz 0.000000 -0.000024 0.000002 0.000003 -0.000003 -0.000002 29O 1dx2y2 0.000007 0.000070 -0.000005 0.000004 0.000004 -0.000005 29O 1dxy 0.000002 0.000027 0.000001 0.000003 -0.000000 -0.000002 29O 2dz2 0.000006 0.000072 -0.000016 0.000006 0.000023 -0.000001 29O 2dxz 0.000007 0.000238 -0.000006 0.000026 0.000006 -0.000022 29O 2dyz -0.000003 0.000098 -0.000012 -0.000018 0.000021 0.000014 29O 2dx2y2 -0.000022 -0.000292 0.000019 -0.000015 -0.000018 0.000016 29O 2dxy -0.000006 -0.000077 -0.000008 -0.000024 -0.000003 0.000009 29O 1f0 0.000001 0.000035 -0.000000 0.000000 -0.000002 -0.000002 29O 1f+1 -0.000000 -0.000011 0.000001 0.000001 -0.000001 0.000000 29O 1f-1 0.000001 0.000019 0.000000 -0.000002 -0.000003 -0.000000 29O 1f+2 -0.000002 -0.000042 0.000003 -0.000001 -0.000001 0.000002 29O 1f-2 0.000002 -0.000004 -0.000000 -0.000005 -0.000000 0.000002 29O 1f+3 -0.000003 -0.000050 0.000004 -0.000000 -0.000001 0.000004 29O 1f-3 -0.000001 -0.000019 0.000002 0.000001 -0.000001 0.000001 30O 1s 0.000000 0.000000 0.000036 0.000001 -0.000000 -0.000000 30O 2s 0.000001 -0.000002 0.000166 0.000005 -0.000003 0.000003 30O 3s 0.000081 0.000045 -0.001945 -0.000060 0.000040 -0.000043 30O 4s -0.000092 -0.000471 0.006343 0.000169 -0.000169 0.000182 30O 5s -0.002646 0.001187 0.001049 -0.000590 0.001318 -0.001129 30O 1pz -0.000011 -0.000007 0.000206 0.000002 0.000003 0.000017 30O 1px 0.000044 -0.000024 -0.000299 -0.000008 -0.000003 0.000006 30O 1py -0.000001 0.000016 -0.000214 -0.000001 0.000018 -0.000003 30O 2pz 0.000079 0.000037 -0.002228 -0.000021 -0.000021 -0.000072 30O 2px -0.000374 0.000051 0.003087 0.000069 -0.000002 -0.000003 30O 2py -0.000014 -0.000065 0.002374 0.000011 -0.000064 0.000006 30O 3pz 0.000066 0.000118 -0.000432 0.000101 -0.000071 0.000061 30O 3px -0.000806 0.000385 -0.000820 -0.000201 0.000215 -0.000103 30O 3py 0.000502 -0.000358 0.000891 -0.000076 0.000167 0.000063 30O 1dz2 -0.000005 0.000010 -0.000030 -0.000001 -0.000003 0.000001 30O 1dxz -0.000006 -0.000009 0.000017 0.000001 -0.000007 -0.000003 30O 1dyz 0.000018 0.000004 -0.000018 0.000002 0.000002 0.000003 30O 1dx2y2 0.000002 -0.000004 0.000022 0.000002 0.000001 -0.000006 30O 1dxy -0.000006 0.000024 -0.000051 -0.000002 -0.000003 -0.000004 30O 2dz2 0.000056 -0.000051 -0.000130 -0.000005 0.000017 -0.000016 30O 2dxz 0.000051 0.000019 -0.001216 -0.000026 0.000039 -0.000013 30O 2dyz 0.000053 -0.000023 -0.000807 -0.000028 -0.000004 -0.000011 30O 2dx2y2 0.000011 0.000041 0.000237 0.000003 -0.000027 0.000040 30O 2dxy 0.000022 -0.000089 0.001433 0.000028 -0.000004 0.000032 30O 1f0 -0.000023 0.000005 0.000162 0.000006 -0.000003 0.000006 30O 1f+1 -0.000009 -0.000002 0.000065 0.000002 -0.000002 -0.000002 30O 1f-1 -0.000007 0.000002 0.000006 -0.000001 0.000000 -0.000003 30O 1f+2 -0.000003 -0.000002 -0.000134 -0.000005 0.000007 -0.000005 30O 1f-2 0.000004 -0.000008 -0.000309 -0.000006 0.000003 -0.000002 30O 1f+3 -0.000003 -0.000002 0.000109 0.000000 0.000005 -0.000001 30O 1f-3 0.000022 -0.000001 -0.000263 -0.000010 0.000008 -0.000008 31O 1s -0.000000 -0.000000 0.000001 -0.000036 -0.000000 0.000000 31O 2s 0.000002 -0.000001 0.000001 -0.000166 -0.000003 0.000002 31O 3s -0.000039 -0.000085 -0.000017 0.001946 0.000050 -0.000036 31O 4s 0.000463 0.000132 0.000084 -0.006346 -0.000204 0.000155 31O 5s -0.001382 0.002573 0.000625 -0.001026 0.001136 -0.001318 31O 1pz -0.000006 -0.000011 -0.000006 0.000206 0.000018 0.000004 31O 1px -0.000027 0.000042 0.000004 -0.000299 0.000005 -0.000003 31O 1py 0.000016 0.000000 0.000007 -0.000214 -0.000004 0.000018 31O 2pz 0.000031 0.000083 0.000067 -0.002227 -0.000079 -0.000026 31O 2px 0.000079 -0.000372 -0.000054 0.003089 0.000007 0.000004 31O 2py -0.000064 -0.000021 -0.000084 0.002372 0.000014 -0.000058 31O 3pz 0.000111 0.000085 0.000117 -0.000430 0.000059 -0.000074 31O 3px 0.000444 -0.000786 -0.000165 -0.000827 -0.000107 0.000216 31O 3py -0.000394 0.000465 -0.000110 0.000891 0.000065 0.000169 31O 1dz2 -0.000010 0.000004 -0.000000 0.000030 -0.000001 0.000003 31O 1dxz 0.000008 0.000007 -0.000000 -0.000017 0.000003 0.000007 31O 1dyz -0.000002 -0.000018 -0.000003 0.000018 -0.000003 -0.000002 31O 1dx2y2 0.000004 -0.000002 -0.000001 -0.000022 0.000006 -0.000001 31O 1dxy -0.000024 0.000004 -0.000000 0.000051 0.000004 0.000003 31O 2dz2 0.000055 -0.000052 0.000000 0.000129 0.000017 -0.000016 31O 2dxz -0.000015 -0.000054 -0.000022 0.001217 0.000017 -0.000037 31O 2dyz 0.000026 -0.000052 -0.000004 0.000808 0.000013 0.000006 31O 2dx2y2 -0.000040 -0.000013 0.000007 -0.000237 -0.000041 0.000026 31O 2dxy 0.000090 -0.000014 0.000029 -0.001433 -0.000036 0.000001 31O 1f0 0.000007 -0.000023 -0.000000 0.000162 0.000006 -0.000003 31O 1f+1 -0.000001 -0.000009 -0.000001 0.000065 -0.000001 -0.000002 31O 1f-1 0.000003 -0.000007 -0.000001 0.000007 -0.000003 0.000000 31O 1f+2 -0.000002 -0.000003 -0.000000 -0.000134 -0.000006 0.000007 31O 1f-2 -0.000008 0.000004 0.000006 -0.000310 -0.000003 0.000002 31O 1f+3 -0.000002 -0.000004 -0.000004 0.000109 -0.000001 0.000005 31O 1f-3 -0.000003 0.000022 0.000000 -0.000263 -0.000009 0.000008 32O 1s -0.000002 -0.000000 -0.000000 0.000000 0.000000 -0.000000 32O 2s 0.000020 0.000007 0.000005 -0.000003 -0.000003 0.000006 32O 3s -0.000165 -0.000063 -0.000032 0.000020 0.000016 -0.000043 32O 4s -0.000159 0.000121 0.000063 -0.000003 0.000008 0.000095 32O 5s 0.001923 -0.000050 -0.000148 -0.000178 -0.000157 -0.000141 32O 1pz 0.000051 0.000007 0.000011 -0.000005 -0.000010 0.000006 32O 1px -0.000122 -0.000020 -0.000026 0.000020 0.000019 -0.000028 32O 1py -0.000037 -0.000003 -0.000001 -0.000009 -0.000008 -0.000001 32O 2pz -0.000134 -0.000014 -0.000028 0.000028 0.000021 -0.000043 32O 2px 0.000311 0.000056 0.000117 -0.000062 -0.000070 0.000108 32O 2py 0.000196 0.000023 -0.000018 0.000029 0.000031 -0.000010 32O 3pz -0.000316 -0.000009 0.000132 -0.000002 -0.000063 -0.000003 32O 3px 0.000557 -0.000051 -0.000139 0.000089 0.000065 -0.000203 32O 3py 0.000492 0.000090 -0.000039 -0.000104 -0.000099 -0.000019 32O 1dz2 0.000019 0.000004 0.000002 -0.000003 -0.000001 0.000003 32O 1dxz 0.000065 0.000008 0.000004 -0.000002 -0.000005 0.000002 32O 1dyz 0.000024 0.000002 -0.000003 -0.000003 0.000002 0.000004 32O 1dx2y2 -0.000069 -0.000012 -0.000004 0.000005 0.000005 -0.000004 32O 1dxy -0.000027 -0.000004 -0.000003 -0.000001 0.000002 0.000000 32O 2dz2 -0.000069 -0.000011 -0.000009 0.000015 0.000002 -0.000022 32O 2dxz -0.000235 -0.000025 -0.000027 0.000004 0.000023 -0.000005 32O 2dyz -0.000096 -0.000004 0.000017 0.000013 -0.000014 -0.000022 32O 2dx2y2 0.000291 0.000044 0.000015 -0.000018 -0.000016 0.000019 32O 2dxy 0.000078 0.000012 0.000024 0.000009 -0.000009 0.000003 32O 1f0 0.000034 0.000003 0.000000 -0.000000 -0.000002 -0.000001 32O 1f+1 -0.000012 -0.000001 0.000001 0.000001 0.000000 -0.000001 32O 1f-1 0.000019 0.000002 -0.000003 0.000000 -0.000000 -0.000003 32O 1f+2 -0.000042 -0.000006 -0.000001 0.000003 0.000002 -0.000001 32O 1f-2 -0.000004 0.000002 -0.000004 -0.000001 0.000003 -0.000000 32O 1f+3 -0.000050 -0.000007 -0.000000 0.000004 0.000004 -0.000001 32O 1f-3 -0.000019 -0.000002 0.000001 0.000002 0.000001 -0.000001 33O 1s -0.000000 -0.000000 -0.000000 0.000000 -0.000000 0.000037 33O 2s 0.000003 -0.000002 0.000001 -0.000001 0.000001 0.000166 33O 3s -0.000047 -0.000082 -0.000019 0.000028 -0.000007 -0.001956 33O 4s 0.000421 0.000046 0.000103 -0.000134 0.000000 0.006430 33O 5s -0.001121 0.002692 -0.001262 0.001059 -0.000797 0.001120 33O 1pz -0.000012 -0.000009 -0.000015 0.000003 0.000005 -0.000265 33O 1px -0.000015 0.000038 -0.000009 -0.000001 -0.000003 0.000330 33O 1py -0.000009 0.000017 0.000002 0.000018 0.000002 -0.000038 33O 2pz 0.000060 0.000036 0.000039 -0.000001 -0.000066 0.002937 33O 2px 0.000029 -0.000343 0.000043 0.000015 0.000040 -0.003459 33O 2py 0.000021 -0.000135 -0.000022 -0.000064 -0.000026 0.000485 33O 3pz 0.000191 -0.000787 -0.000172 -0.000015 -0.000180 0.000819 33O 3px 0.000304 -0.000533 0.000150 -0.000077 0.000296 0.000666 33O 3py 0.000399 -0.000831 0.000048 0.000032 -0.000009 0.000719 33O 1dz2 -0.000005 0.000010 0.000001 -0.000004 -0.000002 -0.000011 33O 1dxz 0.000011 0.000005 -0.000002 -0.000005 0.000001 0.000034 33O 1dyz 0.000009 0.000010 0.000000 0.000001 -0.000001 0.000034 33O 1dx2y2 -0.000005 0.000007 -0.000009 0.000000 0.000002 0.000014 33O 1dxy 0.000015 -0.000006 0.000000 0.000006 0.000002 0.000044 33O 2dz2 0.000019 0.000033 -0.000019 0.000022 0.000005 0.000281 33O 2dxz -0.000032 -0.000058 0.000003 0.000030 0.000013 -0.001796 33O 2dyz -0.000046 0.000085 -0.000010 0.000006 0.000007 0.000088 33O 2dx2y2 0.000002 -0.000008 0.000043 -0.000022 -0.000012 0.000899 33O 2dxy -0.000067 0.000045 0.000006 -0.000028 0.000001 -0.000451 33O 1f0 0.000000 -0.000013 -0.000006 0.000003 -0.000002 -0.000163 33O 1f+1 0.000006 -0.000003 0.000004 0.000000 0.000002 -0.000220 33O 1f-1 -0.000003 0.000014 -0.000000 0.000001 0.000000 -0.000038 33O 1f+2 -0.000006 0.000018 0.000004 -0.000005 0.000001 0.000339 33O 1f-2 0.000003 0.000016 0.000003 -0.000006 0.000004 -0.000064 33O 1f+3 -0.000001 0.000010 0.000004 -0.000005 0.000002 0.000139 33O 1f-3 -0.000000 -0.000014 -0.000001 -0.000001 -0.000000 -0.000095 34O 1s 0.000000 0.000000 0.000001 -0.000037 -0.000000 0.000000 34O 2s -0.000001 -0.000001 0.000001 -0.000166 -0.000003 0.000002 34O 3s 0.000109 0.000016 -0.000012 0.001934 0.000054 -0.000036 34O 4s -0.000200 -0.000154 0.000065 -0.006296 -0.000231 0.000163 34O 5s -0.002727 0.000402 0.000773 -0.000827 0.001115 -0.001207 34O 1pz -0.000010 0.000003 -0.000003 -0.000014 0.000018 0.000005 34O 1px 0.000030 0.000008 -0.000010 0.000407 0.000010 -0.000002 34O 1py 0.000006 -0.000001 0.000007 -0.000094 -0.000004 0.000019 34O 2pz 0.000122 0.000004 0.000020 0.000120 -0.000063 -0.000035 34O 2px -0.000417 -0.000045 0.000117 -0.004326 -0.000083 0.000014 34O 2py -0.000061 -0.000022 -0.000066 0.001064 0.000011 -0.000061 34O 3pz 0.000707 -0.000129 -0.000036 -0.000583 0.000050 0.000098 34O 3px -0.000195 0.000326 0.000292 0.000342 0.000131 -0.000145 34O 3py -0.000775 0.000002 -0.000023 0.000791 0.000032 0.000062 34O 1dz2 0.000001 -0.000001 -0.000002 0.000007 0.000003 0.000007 34O 1dxz -0.000003 0.000002 0.000002 0.000022 -0.000006 0.000001 34O 1dyz 0.000007 0.000009 -0.000003 0.000051 -0.000003 -0.000000 34O 1dx2y2 0.000005 0.000001 -0.000001 0.000019 0.000006 -0.000001 34O 1dxy -0.000005 0.000003 -0.000003 -0.000025 -0.000001 -0.000007 34O 2dz2 0.000087 -0.000003 -0.000013 0.000935 0.000013 -0.000030 34O 2dxz 0.000014 -0.000010 -0.000007 0.000032 0.000037 -0.000019 34O 2dyz 0.000039 -0.000034 0.000016 -0.000238 0.000006 0.000004 34O 2dx2y2 -0.000097 0.000002 0.000037 -0.001578 -0.000057 0.000033 34O 2dxy 0.000103 -0.000025 -0.000006 0.000844 0.000002 0.000034 34O 1f0 0.000011 0.000002 0.000000 -0.000041 -0.000004 0.000000 34O 1f+1 0.000014 -0.000002 -0.000003 0.000253 0.000006 -0.000004 34O 1f-1 0.000011 0.000003 0.000003 -0.000048 0.000001 -0.000002 34O 1f+2 0.000031 0.000001 0.000003 0.000012 0.000006 -0.000004 34O 1f-2 -0.000009 0.000002 -0.000000 -0.000085 -0.000005 0.000002 34O 1f+3 0.000027 0.000000 -0.000002 0.000318 0.000009 -0.000011 34O 1f-3 0.000004 0.000006 0.000006 -0.000217 -0.000000 -0.000002 35O 1s 0.000001 0.000000 -0.000000 0.000000 -0.000000 0.000036 35O 2s -0.000003 -0.000004 0.000001 -0.000001 0.000002 0.000166 35O 3s 0.000137 0.000062 -0.000024 0.000023 -0.000024 -0.001948 35O 4s -0.000257 -0.000360 0.000122 -0.000128 0.000046 0.006320 35O 5s -0.002402 0.000344 -0.001291 0.001288 -0.000463 0.000741 35O 1pz -0.000018 0.000006 -0.000016 0.000003 0.000006 -0.000048 35O 1px 0.000028 0.000009 -0.000002 -0.000006 -0.000000 -0.000378 35O 1py -0.000002 0.000004 0.000005 0.000018 0.000004 -0.000173 35O 2pz 0.000202 -0.000005 0.000046 0.000009 -0.000046 0.000575 35O 2px -0.000326 -0.000114 -0.000004 0.000037 -0.000003 0.003996 35O 2py 0.000005 -0.000036 -0.000042 -0.000059 -0.000030 0.001861 35O 3pz 0.000877 -0.000147 -0.000025 -0.000061 0.000014 0.000904 35O 3px -0.000324 0.000173 -0.000189 0.000177 -0.000148 -0.000428 35O 3py 0.000397 0.000112 -0.000003 0.000154 -0.000051 0.000367 35O 1dz2 -0.000007 -0.000011 -0.000004 -0.000005 -0.000000 0.000032 35O 1dxz -0.000006 0.000003 0.000005 -0.000003 -0.000002 -0.000043 35O 1dyz -0.000010 -0.000004 0.000003 0.000004 -0.000003 0.000034 35O 1dx2y2 -0.000002 -0.000001 -0.000004 0.000004 -0.000000 0.000011 35O 1dxy 0.000006 -0.000004 -0.000004 -0.000004 -0.000003 -0.000011 35O 2dz2 0.000025 0.000044 0.000002 0.000022 0.000004 -0.001061 35O 2dxz -0.000007 -0.000015 -0.000035 0.000022 0.000003 0.000526 35O 2dyz -0.000077 0.000013 -0.000018 -0.000003 0.000018 0.000022 35O 2dx2y2 -0.000033 -0.000008 0.000025 -0.000028 0.000004 0.001042 35O 2dxy -0.000117 0.000015 0.000012 0.000014 0.000012 0.001291 35O 1f0 -0.000009 -0.000003 0.000004 -0.000003 0.000002 -0.000070 35O 1f+1 0.000023 -0.000001 -0.000006 0.000004 -0.000004 -0.000276 35O 1f-1 -0.000023 -0.000004 0.000000 -0.000002 0.000001 -0.000138 35O 1f+2 0.000005 0.000000 -0.000003 0.000000 -0.000001 0.000105 35O 1f-2 0.000015 0.000001 -0.000005 0.000005 -0.000002 0.000016 35O 1f+3 0.000012 0.000004 -0.000002 0.000007 -0.000002 -0.000108 35O 1f-3 0.000018 -0.000004 -0.000002 0.000001 -0.000002 -0.000325 42 43 44 45 46 47 -10.11857 -10.11852 -10.11842 -10.11840 -2.90654 -2.90327 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s -0.000001 -0.000000 -0.000001 -0.000000 -0.042289 0.042929 0Rh 2s -0.000007 -0.000001 -0.000005 -0.000000 0.159275 -0.161842 0Rh 3s -0.000008 -0.000001 -0.000007 -0.000001 -0.140223 0.142253 0Rh 4s 0.000028 0.000004 0.000022 0.000001 -0.577172 0.586728 0Rh 5s -0.000045 -0.000018 -0.000033 0.000009 0.331311 -0.338128 0Rh 6s 0.000026 0.000068 0.000008 -0.000056 0.615919 -0.622408 0Rh 7s 0.000407 -0.000852 0.000489 0.000833 0.040722 -0.066265 0Rh 8s -0.000276 -0.000060 -0.000400 0.000118 -0.001370 -0.007242 0Rh 1pz -0.000001 -0.000002 -0.000000 0.000001 0.000107 0.000046 0Rh 1px -0.000001 0.000000 -0.000001 -0.000000 -0.000286 -0.000189 0Rh 1py -0.000001 -0.000001 0.000001 -0.000002 -0.000071 -0.000016 0Rh 2pz 0.000005 0.000012 0.000001 -0.000006 -0.000347 -0.000143 0Rh 2px 0.000006 -0.000002 0.000007 0.000001 0.000915 0.000597 0Rh 2py 0.000004 0.000005 -0.000007 0.000011 0.000229 0.000046 0Rh 3pz -0.000032 -0.000074 -0.000006 0.000036 0.000187 0.000075 0Rh 3px -0.000037 0.000013 -0.000046 -0.000005 -0.000361 -0.000377 0Rh 3py -0.000025 -0.000033 0.000041 -0.000068 -0.000117 -0.000012 0Rh 4pz 0.000084 0.000196 0.000016 -0.000097 0.000562 0.000073 0Rh 4px 0.000103 -0.000039 0.000126 0.000018 -0.001832 -0.000364 0Rh 4py 0.000069 0.000085 -0.000109 0.000181 -0.000385 -0.000030 0Rh 5pz -0.000132 -0.000309 -0.000021 0.000157 -0.000664 0.000293 0Rh 5px -0.000177 0.000076 -0.000215 -0.000045 0.002391 -0.000809 0Rh 5py -0.000113 -0.000129 0.000173 -0.000286 0.000489 -0.000154 0Rh 6pz 0.000564 0.000183 0.000038 0.000000 0.000564 -0.008896 0Rh 6px 0.000517 -0.000188 0.000645 0.000201 -0.002687 0.027536 0Rh 6py 0.000376 -0.000065 -0.000667 0.000196 -0.002868 0.005765 0Rh 1dz2 0.000000 0.000001 0.000001 0.000000 -0.000562 0.000668 0Rh 1dxz -0.000001 -0.000001 -0.000001 0.000001 -0.000729 0.000872 0Rh 1dyz -0.000001 0.000000 0.000000 0.000001 -0.000462 0.000494 0Rh 1dx2y2 -0.000000 0.000000 -0.000000 0.000001 0.001289 -0.001504 0Rh 1dxy -0.000002 -0.000001 0.000002 -0.000001 0.000431 -0.000514 0Rh 2dz2 -0.000000 -0.000006 -0.000009 -0.000002 -0.000173 0.000198 0Rh 2dxz 0.000008 0.000008 0.000005 -0.000006 -0.000147 0.000180 0Rh 2dyz 0.000007 -0.000003 -0.000003 -0.000007 -0.000155 0.000163 0Rh 2dx2y2 0.000003 -0.000003 0.000003 -0.000005 0.000248 -0.000301 0Rh 2dxy 0.000011 0.000004 -0.000011 0.000006 0.000073 -0.000086 0Rh 3dz2 0.000001 0.000018 0.000026 0.000005 0.001148 -0.001350 0Rh 3dxz -0.000025 -0.000024 -0.000015 0.000017 0.001358 -0.001626 0Rh 3dyz -0.000023 0.000008 0.000009 0.000021 0.000982 -0.001044 0Rh 3dx2y2 -0.000008 0.000008 -0.000009 0.000014 -0.002420 0.002836 0Rh 3dxy -0.000032 -0.000012 0.000034 -0.000018 -0.000814 0.000951 0Rh 4dz2 0.000001 -0.000036 -0.000059 -0.000011 0.001199 -0.001029 0Rh 4dxz 0.000053 0.000052 0.000034 -0.000037 0.001544 -0.001325 0Rh 4dyz 0.000056 -0.000013 -0.000024 -0.000043 0.000744 -0.000710 0Rh 4dx2y2 0.000019 -0.000017 0.000018 -0.000029 -0.002453 0.002090 0Rh 4dxy 0.000074 0.000026 -0.000075 0.000039 -0.000754 0.000666 0Rh 5dz2 -0.000016 -0.000017 0.000121 -0.000005 -0.000783 0.000248 0Rh 5dxz -0.000081 -0.000093 -0.000056 0.000091 -0.001385 0.000743 0Rh 5dyz -0.000125 -0.000130 0.000049 -0.000049 0.000078 -0.000255 0Rh 5dx2y2 -0.000052 0.000047 -0.000036 -0.000004 0.002127 -0.001102 0Rh 5dxy -0.000149 -0.000082 0.000126 -0.000111 0.000804 -0.000459 0Rh 1f0 -0.000002 0.000004 0.000000 0.000000 -0.000129 0.000008 0Rh 1f+1 0.000006 -0.000001 -0.000004 -0.000000 0.000095 0.000002 0Rh 1f-1 -0.000001 0.000002 0.000004 0.000001 -0.000001 0.000011 0Rh 1f+2 -0.000002 0.000000 0.000002 0.000002 0.000210 -0.000072 0Rh 1f-2 0.000009 -0.000005 -0.000009 -0.000005 0.000037 0.000020 0Rh 1f+3 0.000001 -0.000001 0.000004 0.000001 0.000231 -0.000064 0Rh 1f-3 -0.000004 0.000002 0.000002 0.000006 0.000131 -0.000031 1Rh 1s 0.000000 0.000001 -0.000000 -0.000001 -0.042850 -0.042370 1Rh 2s 0.000000 0.000007 -0.000001 -0.000005 0.161390 0.159735 1Rh 3s 0.000000 0.000008 -0.000001 -0.000007 -0.142081 -0.140397 1Rh 4s -0.000003 -0.000028 0.000001 0.000022 -0.584837 -0.579090 1Rh 5s 0.000017 0.000046 0.000009 -0.000033 0.335729 0.333746 1Rh 6s -0.000066 -0.000027 -0.000055 0.000009 0.624052 0.614257 1Rh 7s 0.000844 -0.000404 0.000825 0.000491 0.041572 0.065716 1Rh 8s 0.000060 0.000279 0.000117 -0.000406 -0.001286 0.007260 1Rh 1pz -0.000002 -0.000001 -0.000001 0.000000 -0.000107 0.000047 1Rh 1px 0.000000 -0.000001 0.000000 0.000001 0.000284 -0.000192 1Rh 1py -0.000001 -0.000001 0.000002 -0.000001 0.000071 -0.000016 1Rh 2pz 0.000012 0.000005 0.000006 -0.000001 0.000346 -0.000147 1Rh 2px -0.000002 0.000006 -0.000001 -0.000007 -0.000909 0.000608 1Rh 2py 0.000005 0.000004 -0.000011 0.000007 -0.000229 0.000048 1Rh 3pz -0.000074 -0.000031 -0.000036 0.000006 -0.000186 0.000078 1Rh 3px 0.000013 -0.000036 0.000005 0.000046 0.000358 -0.000381 1Rh 3py -0.000032 -0.000026 0.000069 -0.000041 0.000118 -0.000013 1Rh 4pz 0.000196 0.000082 0.000096 -0.000015 -0.000563 0.000078 1Rh 4px -0.000039 0.000102 -0.000018 -0.000126 0.001828 -0.000388 1Rh 4py 0.000083 0.000070 -0.000181 0.000107 0.000383 -0.000035 1Rh 5pz -0.000310 -0.000129 -0.000156 0.000020 0.000669 0.000284 1Rh 5px 0.000075 -0.000176 0.000045 0.000215 -0.002401 -0.000777 1Rh 5py -0.000126 -0.000114 0.000286 -0.000170 -0.000489 -0.000149 1Rh 6pz 0.000198 0.000565 0.000000 -0.000043 -0.000692 -0.008875 1Rh 6px -0.000184 0.000516 -0.000198 -0.000648 0.003044 0.027500 1Rh 6py -0.000069 0.000391 -0.000209 0.000667 0.002928 0.005729 1Rh 1dz2 -0.000001 -0.000000 0.000000 0.000001 -0.000571 -0.000661 1Rh 1dxz 0.000001 0.000001 0.000001 -0.000001 -0.000739 -0.000861 1Rh 1dyz -0.000000 0.000001 0.000001 0.000000 -0.000470 -0.000490 1Rh 1dx2y2 -0.000000 0.000000 0.000001 -0.000000 0.001308 0.001486 1Rh 1dxy 0.000001 0.000002 -0.000001 0.000002 0.000437 0.000508 1Rh 2dz2 0.000006 0.000001 -0.000002 -0.000009 -0.000175 -0.000196 1Rh 2dxz -0.000008 -0.000008 -0.000006 0.000005 -0.000150 -0.000178 1Rh 2dyz 0.000003 -0.000007 -0.000007 -0.000003 -0.000158 -0.000161 1Rh 2dx2y2 0.000003 -0.000003 -0.000005 0.000003 0.000252 0.000297 1Rh 2dxy -0.000004 -0.000011 0.000006 -0.000011 0.000074 0.000085 1Rh 3dz2 -0.000018 -0.000001 0.000005 0.000026 0.001167 0.001335 1Rh 3dxz 0.000024 0.000024 0.000017 -0.000015 0.001378 0.001607 1Rh 3dyz -0.000008 0.000023 0.000021 0.000009 0.001000 0.001035 1Rh 3dx2y2 -0.000008 0.000008 0.000014 -0.000009 -0.002456 -0.002802 1Rh 3dxy 0.000012 0.000032 -0.000018 0.000034 -0.000824 -0.000939 1Rh 4dz2 0.000038 -0.000000 -0.000011 -0.000059 0.001213 0.001014 1Rh 4dxz -0.000052 -0.000053 -0.000037 0.000034 0.001560 0.001303 1Rh 4dyz 0.000013 -0.000057 -0.000043 -0.000024 0.000756 0.000703 1Rh 4dx2y2 0.000017 -0.000019 -0.000029 0.000018 -0.002479 -0.002056 1Rh 4dxy -0.000026 -0.000074 0.000039 -0.000075 -0.000763 -0.000656 1Rh 5dz2 0.000013 0.000015 -0.000005 0.000122 -0.000787 -0.000239 1Rh 5dxz 0.000092 0.000081 0.000092 -0.000055 -0.001395 -0.000723 1Rh 5dyz 0.000127 0.000129 -0.000046 0.000051 0.000081 0.000255 1Rh 5dx2y2 -0.000048 0.000051 -0.000002 -0.000036 0.002142 0.001074 1Rh 5dxy 0.000082 0.000149 -0.000111 0.000127 0.000815 0.000449 1Rh 1f0 0.000004 -0.000002 -0.000000 -0.000000 0.000129 0.000006 1Rh 1f+1 -0.000001 0.000006 0.000000 0.000004 -0.000095 0.000004 1Rh 1f-1 0.000002 -0.000001 -0.000001 -0.000004 0.000001 0.000011 1Rh 1f+2 0.000000 -0.000002 -0.000002 -0.000002 -0.000211 -0.000069 1Rh 1f-2 -0.000005 0.000009 0.000005 0.000009 -0.000038 0.000020 1Rh 1f+3 -0.000001 0.000001 -0.000001 -0.000004 -0.000232 -0.000061 1Rh 1f-3 0.000002 -0.000004 -0.000006 -0.000002 -0.000131 -0.000030 2C 1s -0.467553 0.000551 0.000045 0.000136 -0.000001 -0.000000 2C 2s -0.609358 0.000718 0.000058 0.000178 -0.000017 0.000010 2C 3s -0.030630 0.000099 0.000050 0.000083 -0.001651 -0.000047 2C 4s 0.012746 -0.000391 -0.000323 -0.000480 0.010865 0.000179 2C 5s -0.023532 0.000121 -0.000651 -0.000521 -0.024746 -0.002021 2C 1pz -0.000400 0.000007 0.000007 0.000009 -0.000084 -0.000008 2C 1px -0.000028 0.000001 0.000002 0.000000 -0.000036 0.000009 2C 1py -0.000279 0.000004 0.000002 0.000008 -0.000045 -0.000001 2C 2pz -0.000583 -0.000179 -0.000188 -0.000277 0.005084 0.000262 2C 2px 0.000103 -0.000037 -0.000018 -0.000061 0.001342 -0.000253 2C 2py -0.000438 -0.000117 -0.000133 -0.000180 0.003300 0.000053 2C 3pz -0.001526 -0.000006 -0.000201 -0.000064 -0.004895 -0.000022 2C 3px -0.000093 -0.000005 -0.000053 0.000014 -0.000797 -0.000575 2C 3py -0.001146 0.000016 0.000021 -0.000173 -0.003340 -0.000258 2C 1dz2 -0.000018 -0.000002 0.000002 -0.000011 0.000088 0.000006 2C 1dxz 0.000028 -0.000003 -0.000001 -0.000005 0.000048 -0.000011 2C 1dyz -0.000066 -0.000007 -0.000009 -0.000004 0.000129 0.000002 2C 1dx2y2 -0.000025 0.000001 0.000007 0.000000 -0.000056 -0.000001 2C 1dxy -0.000024 -0.000002 0.000002 -0.000004 0.000021 -0.000007 2C 2dz2 -0.000012 -0.000043 -0.000063 -0.000037 0.001261 0.000179 2C 2dxz -0.000339 -0.000021 -0.000025 -0.000018 0.000385 -0.000139 2C 2dyz 0.000158 -0.000054 -0.000039 -0.000102 0.002038 0.000120 2C 2dx2y2 0.000286 0.000021 0.000005 0.000037 -0.000336 -0.000032 2C 2dxy 0.000042 -0.000011 -0.000010 -0.000013 0.000476 -0.000112 2C 1f0 -0.000271 -0.000002 -0.000003 -0.000003 0.000066 0.000019 2C 1f+1 -0.000127 -0.000003 -0.000004 -0.000008 0.000083 -0.000013 2C 1f-1 -0.000454 -0.000011 -0.000005 -0.000011 0.000302 0.000009 2C 1f+2 0.000706 0.000005 0.000005 0.000008 -0.000171 -0.000002 2C 1f-2 -0.000777 -0.000004 -0.000002 -0.000004 0.000120 -0.000043 2C 1f+3 0.000613 -0.000002 -0.000001 -0.000000 0.000032 0.000008 2C 1f-3 0.000104 -0.000001 -0.000002 -0.000004 0.000029 0.000008 3C 1s -0.000045 0.000231 -0.467550 -0.001650 -0.000001 -0.000000 3C 2s -0.000059 0.000300 -0.609355 -0.002150 -0.000015 0.000006 3C 3s 0.000073 -0.000029 -0.030634 -0.000172 -0.001634 0.000017 3C 4s -0.000477 0.000299 0.012743 0.000419 0.010678 -0.000068 3C 5s -0.000474 0.000727 -0.023325 -0.000161 -0.025421 -0.001935 3C 1pz 0.000007 -0.000001 -0.000282 -0.000005 -0.000027 -0.000002 3C 1px 0.000002 -0.000001 -0.000119 -0.000003 -0.000039 0.000017 3C 1py -0.000008 0.000008 0.000380 0.000008 0.000091 0.000000 3C 2pz -0.000153 0.000106 -0.000528 0.000101 0.002666 0.000119 3C 2px -0.000070 0.000074 -0.000123 0.000060 0.002011 -0.000303 3C 2py 0.000280 -0.000176 0.000525 -0.000175 -0.005106 -0.000121 3C 3pz -0.000171 -0.000026 -0.001153 -0.000025 -0.002970 -0.000031 3C 3px -0.000081 0.000057 -0.000470 0.000004 -0.002038 -0.000618 3C 3py 0.000051 -0.000197 0.001402 -0.000015 0.004936 0.000194 3C 1dz2 0.000008 0.000008 0.000028 -0.000001 -0.000017 0.000002 3C 1dxz -0.000002 0.000006 0.000014 0.000002 0.000051 -0.000003 3C 1dyz 0.000004 -0.000007 0.000080 -0.000005 -0.000105 -0.000004 3C 1dx2y2 0.000008 -0.000001 -0.000011 -0.000002 -0.000091 -0.000003 3C 1dxy 0.000003 -0.000004 0.000011 -0.000004 -0.000076 0.000007 3C 2dz2 -0.000005 -0.000038 -0.000103 -0.000015 -0.000498 0.000046 3C 2dxz -0.000046 0.000009 -0.000232 0.000023 0.000430 -0.000079 3C 2dyz 0.000085 -0.000030 -0.000255 -0.000045 -0.001898 -0.000129 3C 2dx2y2 0.000044 -0.000041 0.000207 -0.000043 -0.001090 -0.000156 3C 2dxy 0.000045 -0.000035 0.000149 -0.000032 -0.000955 0.000138 3C 1f0 0.000003 -0.000002 -0.000159 -0.000007 -0.000165 -0.000006 3C 1f+1 -0.000002 0.000002 -0.000148 -0.000001 0.000010 -0.000003 3C 1f-1 0.000001 0.000001 -0.000384 -0.000001 -0.000025 -0.000020 3C 1f+2 0.000008 -0.000004 0.000995 -0.000006 -0.000221 -0.000001 3C 1f-2 0.000008 -0.000006 0.000737 -0.000004 -0.000175 0.000023 3C 1f+3 -0.000010 0.000006 -0.000220 0.000006 0.000155 -0.000020 3C 1f-3 0.000006 -0.000003 -0.000036 -0.000003 -0.000096 -0.000033 4C 1s 0.000388 -0.000000 -0.000000 0.000000 -0.000009 0.000000 4C 2s 0.000439 0.000003 0.000002 0.000006 -0.000195 0.000003 4C 3s -0.000033 -0.000130 0.000002 -0.000113 0.004784 -0.000075 4C 4s -0.001616 0.000631 -0.000143 0.000367 -0.017610 0.000103 4C 5s 0.009602 -0.000123 -0.000625 -0.000383 0.011123 0.001355 4C 1pz 0.000296 0.000007 0.000010 -0.000001 -0.000062 -0.000013 4C 1px 0.000042 0.000007 -0.000001 0.000002 -0.000025 0.000029 4C 1py 0.000195 0.000007 0.000001 0.000012 -0.000033 -0.000002 4C 2pz -0.003030 -0.000068 -0.000267 -0.000139 0.003583 0.000936 4C 2px -0.000058 -0.000182 0.000078 -0.000160 0.001137 -0.002305 4C 2py -0.001880 -0.000110 -0.000106 -0.000198 0.002490 -0.000280 4C 3pz -0.001536 -0.000139 -0.000712 -0.000766 -0.012786 -0.001464 4C 3px 0.001005 -0.000053 -0.000096 -0.000247 -0.002644 0.003517 4C 3py -0.000662 -0.000122 -0.000793 -0.000275 -0.008486 0.000507 4C 1dz2 0.000065 -0.000003 -0.000011 -0.000005 0.000224 0.000026 4C 1dxz 0.000062 -0.000007 -0.000007 -0.000012 0.000151 -0.000054 4C 1dyz 0.000119 -0.000004 -0.000003 -0.000009 0.000289 -0.000004 4C 1dx2y2 -0.000045 0.000006 0.000005 0.000017 -0.000222 0.000001 4C 1dxy 0.000036 -0.000001 0.000003 0.000004 0.000015 -0.000038 4C 2dz2 0.001717 0.000065 0.000088 0.000149 -0.001844 0.000682 4C 2dxz 0.001336 -0.000046 0.000160 0.000054 0.000030 -0.001257 4C 2dyz 0.001736 0.000095 0.000073 0.000152 -0.003894 0.000047 4C 2dx2y2 -0.001759 0.000009 -0.000135 -0.000123 -0.000289 -0.000016 4C 2dxy -0.000163 0.000003 0.000006 -0.000037 -0.001382 -0.000906 4C 1f0 -0.000051 -0.000008 0.000008 -0.000006 0.000199 0.000035 4C 1f+1 -0.000070 -0.000012 0.000008 -0.000006 0.000394 -0.000054 4C 1f-1 -0.000633 -0.000009 -0.000012 -0.000015 0.000187 0.000016 4C 1f+2 0.000220 0.000020 -0.000005 0.000012 -0.000381 -0.000027 4C 1f-2 -0.000206 -0.000007 0.000000 -0.000009 0.000063 -0.000040 4C 1f+3 -0.000144 0.000005 -0.000010 0.000002 -0.000038 -0.000045 4C 1f-3 0.000027 -0.000004 0.000006 0.000004 0.000311 -0.000024 5C 1s 0.000000 -0.000000 0.000388 0.000001 -0.000009 -0.000000 5C 2s 0.000006 -0.000003 0.000438 -0.000002 -0.000200 0.000002 5C 3s -0.000097 0.000018 -0.000034 0.000135 0.004871 -0.000040 5C 4s 0.000311 0.000062 -0.001592 -0.000666 -0.018065 -0.000005 5C 5s -0.000448 0.000553 0.009512 0.000139 0.010880 0.000653 5C 1pz 0.000012 0.000003 0.000179 -0.000004 -0.000016 0.000002 5C 1px -0.000002 -0.000007 0.000100 -0.000007 -0.000011 0.000004 5C 1py -0.000002 0.000008 -0.000291 0.000007 0.000050 0.000001 5C 2pz -0.000207 0.000042 -0.001878 0.000031 0.002022 0.000644 5C 2px 0.000069 0.000224 -0.000770 0.000134 0.001178 -0.001950 5C 2py 0.000215 -0.000177 0.002925 -0.000084 -0.003544 -0.000405 5C 3pz -0.000223 0.000735 -0.001096 0.000116 -0.008258 -0.001584 5C 3px -0.000235 0.000283 0.000493 0.000070 -0.004223 0.003143 5C 3py 0.000819 -0.000704 0.001203 -0.000158 0.013604 0.001498 5C 1dz2 -0.000009 -0.000002 -0.000019 0.000002 0.000022 0.000023 5C 1dxz -0.000011 0.000007 0.000055 0.000007 0.000191 -0.000034 5C 1dyz 0.000005 0.000000 -0.000097 -0.000002 -0.000231 -0.000026 5C 1dx2y2 0.000014 -0.000012 -0.000072 -0.000005 -0.000278 -0.000027 5C 1dxy 0.000005 -0.000007 -0.000086 -0.000006 -0.000191 0.000053 5C 2dz2 0.000002 -0.000052 0.000279 0.000030 0.001596 0.000369 5C 2dxz 0.000132 -0.000061 0.001364 0.000010 -0.000382 -0.000584 5C 2dyz -0.000077 0.000068 -0.001242 0.000101 0.003745 -0.000505 5C 2dx2y2 -0.000135 0.000194 -0.002345 0.000017 0.000703 -0.000672 5C 2dxy -0.000162 0.000025 -0.001367 0.000009 0.001731 0.001124 5C 1f0 0.000015 -0.000007 0.000437 0.000003 0.000056 0.000042 5C 1f+1 -0.000003 -0.000010 0.000071 0.000005 0.000247 -0.000027 5C 1f-1 0.000000 -0.000003 0.000076 -0.000001 -0.000023 -0.000018 5C 1f+2 0.000008 -0.000009 0.000394 -0.000009 -0.000114 -0.000074 5C 1f-2 0.000002 -0.000008 0.000274 -0.000017 -0.000319 0.000001 5C 1f+3 -0.000012 -0.000006 -0.000291 0.000010 0.000375 -0.000086 5C 1f-3 0.000004 0.000004 0.000087 -0.000014 -0.000368 -0.000055 6C 1s 0.000000 -0.000000 -0.000001 0.000388 -0.000009 0.000000 6C 2s 0.000003 -0.000006 -0.000005 0.000438 -0.000200 0.000000 6C 3s -0.000014 0.000093 0.000136 -0.000033 0.004877 -0.000025 6C 4s -0.000082 -0.000293 -0.000658 -0.001599 -0.018093 0.000253 6C 5s -0.000562 0.000459 0.000070 0.009521 0.010896 -0.000814 6C 1pz 0.000003 0.000012 0.000005 -0.000179 0.000016 0.000002 6C 1px -0.000007 -0.000002 0.000007 -0.000100 0.000012 0.000004 6C 1py 0.000008 -0.000002 -0.000009 0.000291 -0.000050 0.000002 6C 2pz 0.000044 -0.000208 -0.000044 0.001879 -0.002006 0.000669 6C 2px 0.000221 0.000073 -0.000137 0.000761 -0.001213 -0.001929 6C 2py -0.000177 0.000217 0.000104 -0.002926 0.003526 -0.000448 6C 3pz 0.000742 -0.000226 -0.000121 0.001103 0.008242 -0.001715 6C 3px 0.000287 -0.000240 -0.000067 -0.000516 0.004250 0.003091 6C 3py -0.000711 0.000825 0.000163 -0.001212 -0.013589 0.001710 6C 1dz2 0.000002 0.000009 0.000002 -0.000019 0.000022 -0.000023 6C 1dxz -0.000006 0.000011 0.000006 0.000055 0.000192 0.000031 6C 1dyz -0.000000 -0.000005 -0.000001 -0.000097 -0.000230 0.000028 6C 1dx2y2 0.000012 -0.000014 -0.000005 -0.000072 -0.000278 0.000031 6C 1dxy 0.000007 -0.000005 -0.000005 -0.000086 -0.000192 -0.000050 6C 2dz2 0.000053 -0.000003 0.000028 0.000280 0.001592 -0.000393 6C 2dxz 0.000062 -0.000133 0.000000 0.001365 -0.000371 0.000586 6C 2dyz -0.000065 0.000074 0.000109 -0.001242 0.003751 0.000455 6C 2dx2y2 -0.000194 0.000135 0.000032 -0.002345 0.000710 0.000663 6C 2dxy -0.000025 0.000163 0.000019 -0.001366 0.001714 -0.001146 6C 1f0 -0.000007 0.000016 0.000000 -0.000437 -0.000056 0.000043 6C 1f+1 -0.000011 -0.000003 -0.000005 -0.000070 -0.000247 -0.000024 6C 1f-1 -0.000003 0.000000 0.000001 -0.000075 0.000023 -0.000018 6C 1f+2 -0.000009 0.000008 0.000012 -0.000394 0.000113 -0.000075 6C 1f-2 -0.000008 0.000002 0.000019 -0.000274 0.000320 -0.000004 6C 1f+3 -0.000007 -0.000012 -0.000013 0.000291 -0.000376 -0.000081 6C 1f-3 0.000004 0.000003 0.000014 -0.000086 0.000368 -0.000060 7C 1s -0.000001 -0.000388 0.000000 -0.000000 -0.000009 -0.000000 7C 2s -0.000004 -0.000439 0.000006 0.000002 -0.000195 -0.000001 7C 3s 0.000131 0.000033 -0.000114 0.000001 0.004792 0.000014 7C 4s -0.000630 0.001618 0.000373 -0.000139 -0.017656 0.000123 7C 5s 0.000098 -0.009618 -0.000386 -0.000625 0.011103 -0.001536 7C 1pz 0.000008 0.000295 0.000001 -0.000010 0.000061 -0.000014 7C 1px 0.000007 0.000041 -0.000002 0.000001 0.000025 0.000029 7C 1py 0.000008 0.000196 -0.000012 -0.000001 0.000033 -0.000003 7C 2pz -0.000076 -0.003031 0.000137 0.000271 -0.003555 0.000987 7C 2px -0.000178 -0.000045 0.000156 -0.000080 -0.001155 -0.002284 7C 2py -0.000114 -0.001884 0.000197 0.000108 -0.002498 -0.000240 7C 3pz -0.000145 -0.001555 0.000754 0.000721 0.012763 -0.001632 7C 3px -0.000049 0.001031 0.000244 0.000098 0.002673 0.003497 7C 3py -0.000125 -0.000661 0.000265 0.000799 0.008533 0.000402 7C 1dz2 0.000003 -0.000064 -0.000005 -0.000011 0.000224 -0.000029 7C 1dxz 0.000007 -0.000062 -0.000012 -0.000007 0.000152 0.000052 7C 1dyz 0.000004 -0.000119 -0.000009 -0.000004 0.000288 0.000000 7C 1dx2y2 -0.000006 0.000045 0.000017 0.000005 -0.000222 0.000002 7C 1dxy 0.000001 -0.000036 0.000004 0.000003 0.000016 0.000038 7C 2dz2 -0.000068 -0.001710 0.000146 0.000089 -0.001838 -0.000653 7C 2dxz 0.000042 -0.001331 0.000053 0.000162 0.000054 0.001258 7C 2dyz -0.000100 -0.001743 0.000152 0.000075 -0.003900 0.000003 7C 2dx2y2 -0.000004 0.001768 -0.000121 -0.000137 -0.000289 0.000016 7C 2dxy -0.000003 0.000165 -0.000035 0.000006 -0.001373 0.000925 7C 1f0 -0.000009 -0.000047 0.000006 -0.000008 -0.000198 0.000037 7C 1f+1 -0.000013 -0.000067 0.000007 -0.000008 -0.000394 -0.000049 7C 1f-1 -0.000010 -0.000633 0.000015 0.000012 -0.000187 0.000019 7C 1f+2 0.000021 0.000222 -0.000012 0.000005 0.000382 -0.000032 7C 1f-2 -0.000007 -0.000206 0.000009 -0.000000 -0.000064 -0.000039 7C 1f+3 0.000005 -0.000144 -0.000002 0.000010 0.000038 -0.000045 7C 1f-3 -0.000004 0.000024 -0.000003 -0.000006 -0.000313 -0.000020 8C 1s -0.000136 0.000042 0.001650 -0.467550 -0.000001 0.000000 8C 2s -0.000177 0.000055 0.002150 -0.609355 -0.000015 -0.000006 8C 3s 0.000034 -0.000073 0.000045 -0.030635 -0.001634 0.000005 8C 4s -0.000295 0.000473 0.000329 0.012748 0.010678 -0.000071 8C 5s -0.000734 0.000474 0.000000 -0.023342 -0.025422 0.002335 8C 1pz -0.000001 0.000007 0.000003 0.000281 0.000027 -0.000002 8C 1px -0.000001 0.000002 0.000002 0.000119 0.000039 0.000016 8C 1py 0.000008 -0.000008 -0.000005 -0.000381 -0.000090 0.000002 8C 2pz 0.000104 -0.000152 -0.000105 0.000525 -0.002665 0.000155 8C 2px 0.000073 -0.000068 -0.000061 0.000119 -0.002019 -0.000276 8C 2py -0.000173 0.000278 0.000178 -0.000525 0.005098 -0.000189 8C 3pz -0.000025 -0.000172 0.000017 0.001151 0.002973 -0.000075 8C 3px 0.000056 -0.000080 -0.000008 0.000468 0.002032 -0.000651 8C 3py -0.000199 0.000051 0.000024 -0.001408 -0.004940 0.000268 8C 1dz2 -0.000008 -0.000008 -0.000002 0.000028 -0.000017 -0.000002 8C 1dxz -0.000006 0.000002 0.000002 0.000014 0.000051 0.000003 8C 1dyz 0.000006 -0.000004 -0.000006 0.000079 -0.000105 0.000006 8C 1dx2y2 0.000001 -0.000008 -0.000002 -0.000011 -0.000091 0.000004 8C 1dxy 0.000004 -0.000003 -0.000004 0.000010 -0.000076 -0.000006 8C 2dz2 0.000038 0.000006 -0.000015 -0.000104 -0.000498 -0.000039 8C 2dxz -0.000009 0.000045 0.000024 -0.000235 0.000429 0.000073 8C 2dyz 0.000029 -0.000084 -0.000043 -0.000257 -0.001895 0.000155 8C 2dx2y2 0.000041 -0.000043 -0.000044 0.000204 -0.001089 0.000172 8C 2dxy 0.000034 -0.000044 -0.000033 0.000151 -0.000955 -0.000126 8C 1f0 -0.000002 0.000003 0.000006 0.000163 0.000164 -0.000008 8C 1f+1 0.000002 -0.000002 -0.000000 0.000132 -0.000010 -0.000003 8C 1f-1 0.000001 0.000001 -0.000001 0.000381 0.000025 -0.000020 8C 1f+2 -0.000003 0.000008 0.000013 -0.000991 0.000221 -0.000003 8C 1f-2 -0.000006 0.000008 0.000009 -0.000749 0.000175 0.000022 8C 1f+3 0.000005 -0.000010 -0.000007 0.000215 -0.000155 -0.000018 8C 1f-3 -0.000003 0.000006 0.000003 0.000031 0.000096 -0.000034 9C 1s 0.000551 0.467553 0.000230 0.000042 -0.000001 0.000000 9C 2s 0.000718 0.609358 0.000300 0.000055 -0.000017 -0.000011 9C 3s -0.000027 0.030631 0.000089 0.000052 -0.001651 0.000070 9C 4s 0.000362 -0.012744 -0.000482 -0.000332 0.010862 -0.000328 9C 5s -0.000062 0.023562 -0.000498 -0.000654 -0.024742 0.002387 9C 1pz 0.000006 -0.000400 -0.000009 -0.000008 0.000083 -0.000009 9C 1px 0.000001 -0.000028 0.000000 -0.000002 0.000036 0.000008 9C 1py 0.000004 -0.000278 -0.000008 -0.000002 0.000046 -0.000002 9C 2pz -0.000181 -0.000587 0.000276 0.000191 -0.005062 0.000334 9C 2px -0.000036 0.000105 0.000060 0.000018 -0.001338 -0.000235 9C 2py -0.000119 -0.000432 0.000180 0.000136 -0.003329 0.000101 9C 3pz -0.000010 -0.001534 0.000059 0.000203 0.004889 -0.000088 9C 3px -0.000006 -0.000092 -0.000014 0.000053 0.000777 -0.000586 9C 3py 0.000012 -0.001141 0.000172 -0.000018 0.003356 -0.000306 9C 1dz2 0.000002 0.000018 -0.000011 0.000002 0.000087 -0.000007 9C 1dxz 0.000002 -0.000028 -0.000005 -0.000001 0.000048 0.000010 9C 1dyz 0.000007 0.000066 -0.000004 -0.000009 0.000129 -0.000004 9C 1dx2y2 -0.000001 0.000026 0.000000 0.000007 -0.000056 0.000002 9C 1dxy 0.000003 0.000024 -0.000004 0.000002 0.000021 0.000007 9C 2dz2 0.000043 0.000008 -0.000036 -0.000063 0.001249 -0.000196 9C 2dxz 0.000022 0.000342 -0.000017 -0.000026 0.000378 0.000134 9C 2dyz 0.000054 -0.000158 -0.000102 -0.000040 0.002044 -0.000150 9C 2dx2y2 -0.000022 -0.000288 0.000038 0.000006 -0.000342 0.000038 9C 2dxy 0.000011 -0.000041 -0.000013 -0.000010 0.000476 0.000105 9C 1f0 -0.000003 -0.000268 0.000003 0.000003 -0.000063 0.000020 9C 1f+1 -0.000003 -0.000131 0.000008 0.000004 -0.000082 -0.000012 9C 1f-1 -0.000012 -0.000446 0.000011 0.000005 -0.000302 0.000013 9C 1f+2 0.000007 0.000730 -0.000008 -0.000005 0.000174 -0.000003 9C 1f-2 -0.000006 -0.000766 0.000004 0.000002 -0.000119 -0.000041 9C 1f+3 -0.000000 0.000600 0.000000 0.000001 -0.000032 0.000008 9C 1f-3 -0.000001 0.000131 0.000004 0.000002 -0.000029 0.000010 10H 1s 0.000346 0.000001 0.000003 0.000002 -0.000052 -0.000003 10H 2s 0.001041 -0.000012 -0.000029 -0.000002 -0.000182 0.000101 10H 3s 0.003599 -0.000011 0.000048 0.000021 0.001931 0.000566 10H 1pz 0.000666 0.000003 -0.000003 0.000002 -0.000147 0.000028 10H 1px -0.001125 0.000001 0.000002 -0.000001 0.000076 -0.000023 10H 1py 0.000190 0.000002 -0.000001 0.000001 -0.000093 0.000022 11H 1s 0.000399 0.000001 0.000001 -0.000001 0.000003 -0.000024 11H 2s 0.001785 -0.000002 0.000013 -0.000010 0.000434 0.000278 11H 3s 0.003951 -0.000052 -0.000007 0.000067 0.002035 0.000201 11H 1pz 0.000857 0.000002 0.000004 0.000003 -0.000107 0.000041 11H 1px 0.000960 0.000002 0.000003 -0.000002 -0.000001 0.000023 11H 1py -0.000659 0.000000 -0.000000 0.000005 -0.000042 -0.000012 12H 1s 0.000384 -0.000000 -0.000001 0.000001 -0.000018 -0.000025 12H 2s 0.001637 0.000002 -0.000009 -0.000005 0.000284 0.000311 12H 3s 0.003828 -0.000036 0.000080 -0.000005 0.001943 0.000113 12H 1pz -0.000333 0.000002 0.000004 0.000001 -0.000086 0.000004 12H 1px 0.000645 0.000002 -0.000002 0.000001 0.000005 0.000023 12H 1py 0.001225 0.000003 -0.000000 0.000003 -0.000111 0.000043 13H 1s 0.000003 -0.000001 0.000353 0.000000 -0.000053 0.000002 13H 2s -0.000030 0.000004 0.001086 0.000017 -0.000152 0.000085 13H 3s 0.000023 -0.000072 0.003585 0.000017 0.002091 0.000416 13H 1pz -0.000002 -0.000002 0.000835 0.000001 -0.000137 0.000034 13H 1px 0.000001 -0.000001 -0.000939 -0.000004 0.000029 -0.000012 13H 1py 0.000001 0.000001 -0.000435 0.000001 0.000117 -0.000017 14H 1s 0.000002 0.000000 0.000376 0.000001 -0.000024 -0.000021 14H 2s 0.000019 0.000002 0.001524 -0.000002 0.000239 0.000252 14H 3s -0.000046 -0.000075 0.003766 0.000046 0.001938 0.000034 14H 1pz 0.000004 -0.000002 0.000631 -0.000001 -0.000111 0.000015 14H 1px 0.000007 -0.000000 0.001233 -0.000000 -0.000045 0.000033 14H 1py 0.000000 0.000002 0.000228 0.000003 0.000079 -0.000004 15H 1s -0.000001 0.000001 0.000405 -0.000000 0.000009 -0.000018 15H 2s -0.000013 -0.000011 0.001782 0.000004 0.000492 0.000210 15H 3s 0.000061 -0.000014 0.003964 0.000072 0.002041 0.000156 15H 1pz 0.000006 0.000001 -0.000947 -0.000001 -0.000056 -0.000014 15H 1px 0.000001 -0.000001 0.000287 -0.000001 -0.000012 0.000001 15H 1py -0.000002 0.000005 -0.001050 -0.000000 0.000091 -0.000037 16H 1s -0.000002 0.000002 -0.000002 0.000002 0.000018 -0.000048 16H 2s -0.000021 -0.000030 0.000097 0.000002 0.001453 -0.000718 16H 3s -0.000105 0.000034 0.000032 -0.000004 -0.000247 -0.000328 16H 1pz 0.000000 -0.000000 0.000021 -0.000000 0.000213 -0.000154 16H 1px -0.000003 -0.000003 -0.000002 -0.000004 -0.000050 0.000018 16H 1py -0.000003 -0.000001 -0.000001 0.000002 -0.000011 -0.000010 17H 1s 0.000002 -0.000001 -0.000005 -0.000003 0.000015 -0.000045 17H 2s 0.000017 -0.000017 0.000076 0.000020 0.001539 -0.000765 17H 3s 0.000051 0.000021 0.000002 -0.000093 -0.000226 -0.000301 17H 1pz 0.000005 0.000004 -0.000012 0.000000 -0.000139 0.000110 17H 1px -0.000001 0.000004 0.000001 -0.000005 -0.000216 0.000141 17H 1py 0.000001 0.000001 -0.000002 0.000004 0.000030 -0.000040 18H 1s 0.000001 -0.000002 -0.000003 -0.000005 0.000016 0.000045 18H 2s 0.000016 -0.000014 0.000021 0.000075 0.001540 0.000739 18H 3s -0.000022 -0.000052 -0.000092 0.000003 -0.000222 0.000304 18H 1pz 0.000004 0.000005 -0.000000 0.000012 0.000142 0.000109 18H 1px 0.000004 -0.000001 0.000006 -0.000001 0.000215 0.000136 18H 1py 0.000001 0.000001 -0.000004 0.000002 -0.000025 -0.000035 19H 1s -0.000002 0.000002 0.000002 -0.000002 0.000018 0.000048 19H 2s 0.000029 0.000022 0.000001 0.000096 0.001463 0.000699 19H 3s -0.000033 0.000106 -0.000004 0.000033 -0.000241 0.000332 19H 1pz -0.000000 0.000000 0.000000 -0.000020 -0.000215 -0.000151 19H 1px -0.000003 -0.000003 0.000004 0.000002 0.000051 0.000019 19H 1py -0.000001 -0.000003 -0.000002 0.000000 0.000006 -0.000014 20H 1s -0.000001 0.000001 -0.000003 0.000405 0.000009 0.000018 20H 2s 0.000011 0.000013 -0.000009 0.001783 0.000488 -0.000223 20H 3s 0.000016 -0.000062 0.000044 0.003965 0.002043 -0.000188 20H 1pz 0.000001 0.000006 -0.000006 0.000948 0.000056 -0.000015 20H 1px -0.000001 0.000001 0.000003 -0.000297 0.000012 0.000002 20H 1py 0.000005 -0.000002 -0.000007 0.001046 -0.000092 -0.000037 21H 1s -0.000000 -0.000002 -0.000001 0.000376 -0.000024 0.000021 21H 2s -0.000002 -0.000019 -0.000013 0.001532 0.000244 -0.000260 21H 3s 0.000076 0.000047 0.000020 0.003771 0.001940 -0.000068 21H 1pz -0.000002 0.000004 0.000005 -0.000639 0.000111 0.000014 21H 1px -0.000000 0.000007 0.000009 -0.001229 0.000045 0.000033 21H 1py 0.000002 0.000000 -0.000002 -0.000231 -0.000079 -0.000003 22H 1s 0.000001 -0.000003 -0.000002 0.000352 -0.000054 -0.000001 22H 2s -0.000004 0.000031 0.000009 0.001082 -0.000156 -0.000087 22H 3s 0.000072 -0.000023 -0.000009 0.003586 0.002086 -0.000451 22H 1pz -0.000002 -0.000002 0.000005 -0.000829 0.000137 0.000033 22H 1px -0.000001 0.000001 -0.000003 0.000941 -0.000031 -0.000012 22H 1py 0.000001 0.000001 -0.000004 0.000440 -0.000118 -0.000016 23H 1s -0.000001 -0.000384 0.000000 -0.000001 -0.000017 0.000026 23H 2s -0.000005 -0.001650 -0.000004 -0.000009 0.000290 -0.000320 23H 3s 0.000028 -0.003837 -0.000010 0.000079 0.001942 -0.000148 23H 1pz 0.000001 -0.000339 -0.000001 -0.000004 0.000087 0.000003 23H 1px 0.000003 0.000629 -0.000001 0.000002 -0.000007 0.000023 23H 1py 0.000006 0.001234 -0.000003 0.000000 0.000110 0.000043 24H 1s -0.000002 -0.000398 -0.000002 0.000001 0.000002 0.000025 24H 2s -0.000002 -0.001785 -0.000011 0.000014 0.000429 -0.000292 24H 3s 0.000042 -0.003950 0.000065 -0.000008 0.002038 -0.000233 24H 1pz 0.000004 0.000851 -0.000003 -0.000005 0.000109 0.000040 24H 1px 0.000004 0.000975 0.000003 -0.000003 0.000001 0.000025 24H 1py -0.000001 -0.000645 -0.000005 0.000000 0.000041 -0.000013 25H 1s -0.000001 -0.000346 0.000002 0.000003 -0.000052 0.000004 25H 2s 0.000009 -0.001038 -0.000003 -0.000030 -0.000189 -0.000104 25H 3s 0.000002 -0.003601 0.000020 0.000047 0.001925 -0.000599 25H 1pz 0.000004 0.000672 -0.000002 0.000003 0.000149 0.000028 25H 1px -0.000002 -0.001123 0.000001 -0.000002 -0.000077 -0.000023 25H 1py 0.000002 0.000179 -0.000001 0.000001 0.000092 0.000020 26O 1s -0.000003 0.000000 0.000000 0.000000 -0.000158 0.000157 26O 2s 0.000044 -0.000004 -0.000001 -0.000003 -0.000249 0.000307 26O 3s -0.000521 0.000035 0.000015 0.000029 -0.000960 0.000072 26O 4s 0.002146 -0.000132 -0.000043 -0.000090 0.004157 -0.001536 26O 5s -0.001329 0.000411 0.000512 0.000696 -0.000622 0.007160 26O 1pz 0.000061 0.000000 0.000003 0.000001 0.000168 -0.000240 26O 1px 0.000041 0.000006 0.000003 0.000002 0.000092 0.000046 26O 1py 0.000064 0.000004 -0.000001 0.000007 0.000140 -0.000132 26O 2pz -0.000481 -0.000006 -0.000021 -0.000024 0.001131 -0.000809 26O 2px -0.000526 -0.000023 -0.000017 -0.000032 -0.000953 -0.000958 26O 2py -0.000535 -0.000017 -0.000014 -0.000043 0.000343 -0.000859 26O 3pz -0.000124 0.000172 -0.000096 0.000077 -0.000917 0.004003 26O 3px 0.000003 0.000043 -0.000286 -0.000232 -0.002115 -0.000648 26O 3py 0.000128 0.000137 -0.000046 -0.000089 -0.001163 0.002184 26O 1dz2 0.000010 -0.000002 0.000002 -0.000002 -0.000063 0.000041 26O 1dxz -0.000034 0.000002 0.000003 -0.000001 -0.000009 0.000016 26O 1dyz 0.000004 -0.000002 0.000001 0.000002 -0.000093 0.000070 26O 1dx2y2 0.000008 -0.000001 0.000001 -0.000002 0.000031 -0.000023 26O 1dxy -0.000008 -0.000000 0.000003 -0.000001 -0.000004 0.000013 26O 2dz2 -0.000032 0.000009 -0.000011 0.000005 0.000371 -0.000499 26O 2dxz 0.000235 -0.000003 -0.000004 0.000011 0.000095 -0.000256 26O 2dyz 0.000061 0.000011 -0.000004 -0.000004 0.000883 -0.000746 26O 2dx2y2 -0.000048 -0.000001 -0.000003 0.000009 0.000034 0.000334 26O 2dxy 0.000101 -0.000000 -0.000010 0.000010 0.000324 -0.000106 26O 1f0 -0.000001 0.000001 0.000001 0.000004 0.000019 -0.000035 26O 1f+1 -0.000022 -0.000001 -0.000001 -0.000002 0.000107 -0.000045 26O 1f-1 0.000012 0.000001 -0.000000 -0.000000 0.000246 -0.000247 26O 1f+2 -0.000000 -0.000000 -0.000001 -0.000001 -0.000125 0.000131 26O 1f-2 -0.000001 -0.000000 -0.000003 -0.000001 0.000100 -0.000077 26O 1f+3 0.000002 -0.000001 -0.000001 -0.000001 0.000073 -0.000031 26O 1f-3 -0.000019 -0.000001 -0.000001 -0.000001 0.000068 -0.000018 27O 1s 0.000000 -0.000000 -0.000003 -0.000000 -0.000153 0.000152 27O 2s -0.000001 0.000003 0.000043 0.000004 -0.000237 0.000290 27O 3s 0.000018 -0.000022 -0.000516 -0.000040 -0.000976 0.000129 27O 4s -0.000061 0.000058 0.002124 0.000147 0.003987 -0.001477 27O 5s 0.000363 -0.000799 -0.001043 -0.000311 0.001538 0.006593 27O 1pz 0.000005 -0.000002 0.000044 -0.000001 0.000084 -0.000136 27O 1px -0.000002 -0.000008 0.000065 -0.000005 0.000134 0.000020 27O 1py 0.000004 0.000006 -0.000059 0.000001 -0.000148 0.000191 27O 2pz -0.000025 0.000022 -0.000279 0.000007 0.000817 -0.000438 27O 2px 0.000026 0.000094 -0.000701 0.000006 -0.001043 -0.001123 27O 2py -0.000006 -0.000052 0.000513 -0.000002 -0.000919 0.000938 27O 3pz -0.000061 -0.000185 0.000107 -0.000102 0.000501 0.002374 27O 3px -0.000138 0.000322 0.000002 -0.000122 -0.002103 -0.000174 27O 3py 0.000039 0.000012 0.000290 0.000155 0.000389 -0.003450 27O 1dz2 -0.000000 0.000003 0.000000 -0.000000 0.000013 -0.000017 27O 1dxz 0.000002 -0.000002 -0.000015 -0.000001 -0.000035 0.000036 27O 1dyz -0.000003 -0.000002 -0.000020 -0.000002 0.000108 -0.000087 27O 1dx2y2 0.000002 0.000002 -0.000001 -0.000001 0.000069 -0.000053 27O 1dxy -0.000001 -0.000000 0.000031 0.000001 0.000058 -0.000056 27O 2dz2 0.000005 0.000001 -0.000045 -0.000003 -0.000351 0.000094 27O 2dxz -0.000001 0.000008 0.000117 -0.000000 0.000161 -0.000368 27O 2dyz 0.000016 0.000005 0.000044 0.000009 -0.000900 0.000742 27O 2dx2y2 -0.000019 -0.000025 0.000006 0.000013 -0.000179 0.000568 27O 2dxy 0.000002 0.000013 -0.000250 -0.000005 -0.000551 0.000522 27O 1f0 0.000001 -0.000001 -0.000015 -0.000000 -0.000154 0.000143 27O 1f+1 -0.000001 -0.000000 -0.000013 0.000001 0.000049 -0.000006 27O 1f-1 0.000002 0.000002 -0.000007 -0.000000 -0.000041 0.000049 27O 1f+2 -0.000001 0.000001 -0.000010 0.000001 -0.000138 0.000183 27O 1f-2 0.000001 0.000000 0.000004 -0.000001 -0.000161 0.000139 27O 1f+3 -0.000005 -0.000000 -0.000018 0.000001 0.000190 -0.000119 27O 1f-3 -0.000001 0.000003 0.000005 0.000000 -0.000065 0.000065 28O 1s -0.000003 0.000000 0.000000 0.000000 -0.000155 -0.000150 28O 2s 0.000038 -0.000006 -0.000003 -0.000002 -0.000247 -0.000296 28O 3s -0.000492 0.000070 0.000017 0.000024 -0.000923 0.000004 28O 4s 0.002017 -0.000235 -0.000036 -0.000081 0.003972 0.001152 28O 5s 0.000570 0.000185 0.000809 0.000390 0.001096 -0.007097 28O 1pz 0.000076 0.000004 0.000008 -0.000004 0.000210 0.000170 28O 1px -0.000059 -0.000001 -0.000005 -0.000000 -0.000042 0.000128 28O 1py 0.000033 0.000003 0.000003 0.000004 0.000113 0.000153 28O 2pz -0.000784 0.000019 -0.000086 0.000017 0.000232 0.001290 28O 2px 0.000581 -0.000040 0.000064 -0.000020 0.001457 -0.000653 28O 2py -0.000290 -0.000008 -0.000036 -0.000019 0.000721 0.000565 28O 3pz -0.001267 0.000224 -0.000205 -0.000043 -0.001569 -0.002735 28O 3px -0.000180 -0.000150 0.000305 0.000102 0.001508 -0.002075 28O 3py -0.000641 0.000098 0.000110 -0.000064 -0.000646 -0.002623 28O 1dz2 -0.000030 0.000003 0.000002 -0.000002 -0.000063 -0.000048 28O 1dxz 0.000024 -0.000003 0.000002 -0.000003 -0.000034 -0.000021 28O 1dyz 0.000004 0.000004 0.000001 0.000003 -0.000095 -0.000074 28O 1dx2y2 0.000020 0.000001 0.000001 -0.000000 0.000030 0.000021 28O 1dxy 0.000030 -0.000000 -0.000003 -0.000000 -0.000021 -0.000014 28O 2dz2 0.000241 -0.000014 -0.000002 0.000010 0.000514 0.000507 28O 2dxz -0.000214 0.000034 -0.000030 0.000019 -0.000090 0.000295 28O 2dyz 0.000080 -0.000019 -0.000001 -0.000014 0.000891 0.000735 28O 2dx2y2 -0.000085 -0.000016 0.000006 -0.000009 0.000042 -0.000333 28O 2dxy -0.000174 0.000004 0.000006 -0.000002 0.000214 0.000105 28O 1f0 -0.000019 -0.000002 -0.000001 -0.000002 0.000076 0.000023 28O 1f+1 0.000006 -0.000002 0.000003 0.000002 0.000067 0.000055 28O 1f-1 -0.000006 -0.000002 -0.000001 -0.000001 0.000238 0.000233 28O 1f+2 0.000010 0.000004 -0.000001 0.000005 -0.000187 -0.000117 28O 1f-2 0.000014 -0.000000 0.000001 0.000001 0.000068 0.000090 28O 1f+3 0.000009 0.000001 0.000002 0.000002 -0.000006 0.000042 28O 1f-3 -0.000012 -0.000001 0.000001 -0.000000 0.000029 0.000017 29O 1s 0.000000 0.000000 -0.000000 -0.000000 -0.000040 0.000042 29O 2s -0.000000 -0.000001 0.000002 0.000000 -0.000048 0.000127 29O 3s -0.000001 0.000013 -0.000020 -0.000004 -0.000311 -0.000604 29O 4s 0.000026 -0.000066 0.000099 0.000035 0.002228 0.001346 29O 5s -0.000102 0.000206 -0.000363 -0.000140 -0.006733 -0.001782 29O 1pz -0.000008 -0.000001 -0.000002 0.000003 0.000013 -0.000050 29O 1px -0.000002 -0.000000 -0.000001 0.000002 -0.000053 0.000146 29O 1py -0.000003 0.000002 0.000002 -0.000004 -0.000053 0.000036 29O 2pz 0.000038 0.000006 0.000020 -0.000011 0.000169 0.000066 29O 2px 0.000006 0.000007 -0.000007 -0.000014 -0.000458 -0.000166 29O 2py 0.000010 -0.000008 -0.000006 0.000023 0.000257 -0.000165 29O 3pz -0.000185 0.000003 -0.000022 -0.000011 -0.000789 -0.000422 29O 3px 0.000052 -0.000093 0.000067 0.000111 0.002519 0.000978 29O 3py -0.000023 -0.000013 0.000150 -0.000043 0.001437 -0.000591 29O 1dz2 -0.000001 0.000001 0.000000 0.000001 0.000018 -0.000024 29O 1dxz -0.000003 0.000000 -0.000000 -0.000002 0.000007 -0.000024 29O 1dyz -0.000003 -0.000000 0.000000 0.000001 -0.000000 -0.000005 29O 1dx2y2 0.000002 -0.000002 0.000001 0.000002 0.000013 0.000023 29O 1dxy -0.000001 0.000000 0.000002 -0.000001 -0.000014 0.000020 29O 2dz2 0.000003 -0.000003 -0.000006 -0.000002 -0.000131 0.000136 29O 2dxz 0.000010 -0.000001 0.000001 0.000005 -0.000065 0.000125 29O 2dyz 0.000012 -0.000000 -0.000006 -0.000002 -0.000002 0.000022 29O 2dx2y2 -0.000007 0.000007 -0.000003 -0.000008 -0.000073 -0.000079 29O 2dxy 0.000002 -0.000003 -0.000004 0.000003 0.000134 -0.000135 29O 1f0 -0.000001 -0.000001 0.000001 0.000000 0.000008 0.000001 29O 1f+1 -0.000000 0.000000 0.000000 0.000000 0.000007 -0.000009 29O 1f-1 0.000000 -0.000001 0.000002 0.000001 0.000051 -0.000034 29O 1f+2 0.000000 -0.000000 -0.000002 -0.000000 0.000017 -0.000022 29O 1f-2 0.000001 -0.000000 0.000001 0.000001 0.000043 -0.000032 29O 1f+3 0.000001 0.000001 -0.000002 0.000000 0.000008 -0.000019 29O 1f-3 -0.000000 -0.000000 -0.000001 0.000000 0.000010 -0.000012 30O 1s 0.000000 -0.000000 -0.000003 -0.000000 -0.000157 -0.000153 30O 2s -0.000003 0.000002 0.000038 0.000006 -0.000245 -0.000293 30O 3s 0.000025 -0.000021 -0.000492 -0.000070 -0.000976 -0.000116 30O 4s -0.000070 0.000071 0.002015 0.000235 0.003970 0.001460 30O 5s 0.000720 -0.000501 0.000279 -0.000264 0.000918 -0.006619 30O 1pz 0.000007 0.000002 0.000064 -0.000004 0.000119 0.000083 30O 1px -0.000002 0.000000 -0.000039 0.000001 -0.000011 0.000162 30O 1py -0.000003 0.000002 -0.000063 0.000004 -0.000163 -0.000165 30O 2pz -0.000050 -0.000001 -0.000588 -0.000005 0.000166 0.000920 30O 2px 0.000027 0.000008 0.000415 0.000032 0.001506 -0.000347 30O 2py 0.000052 -0.000013 0.000664 0.000008 -0.000647 -0.001198 30O 3pz -0.000131 0.000070 -0.000451 -0.000191 -0.001770 -0.001642 30O 3px 0.000246 -0.000157 -0.000297 0.000081 0.001374 -0.002392 30O 3py 0.000009 -0.000210 0.001178 0.000209 0.001908 0.002969 30O 1dz2 0.000002 0.000002 -0.000015 0.000001 0.000028 0.000019 30O 1dxz 0.000002 0.000002 0.000003 0.000001 -0.000044 -0.000031 30O 1dyz -0.000001 0.000003 0.000006 0.000004 0.000100 0.000085 30O 1dx2y2 0.000001 0.000003 0.000037 0.000002 0.000067 0.000054 30O 1dxy 0.000001 -0.000000 -0.000033 -0.000002 0.000070 0.000048 30O 2dz2 -0.000008 -0.000009 0.000062 -0.000006 -0.000310 -0.000095 30O 2dxz -0.000015 -0.000008 -0.000050 -0.000018 0.000079 0.000332 30O 2dyz -0.000005 -0.000012 -0.000167 -0.000027 -0.001003 -0.000742 30O 2dx2y2 -0.000009 -0.000008 -0.000247 -0.000003 -0.000362 -0.000593 30O 2dxy 0.000006 -0.000002 0.000205 0.000019 -0.000338 -0.000465 30O 1f0 -0.000000 0.000001 -0.000006 0.000001 -0.000109 -0.000147 30O 1f+1 0.000000 -0.000000 -0.000012 0.000001 0.000008 0.000003 30O 1f-1 0.000002 -0.000000 0.000001 -0.000001 -0.000050 -0.000040 30O 1f+2 0.000002 -0.000003 0.000013 -0.000002 -0.000208 -0.000161 30O 1f-2 0.000000 0.000000 -0.000004 -0.000003 -0.000176 -0.000146 30O 1f+3 0.000004 -0.000000 0.000008 0.000001 0.000119 0.000141 30O 1f-3 0.000001 -0.000002 0.000023 -0.000003 -0.000113 -0.000043 31O 1s 0.000000 -0.000000 -0.000000 -0.000003 -0.000155 0.000155 31O 2s -0.000002 0.000003 0.000006 0.000038 -0.000241 0.000296 31O 3s 0.000021 -0.000025 -0.000066 -0.000492 -0.000977 0.000129 31O 4s -0.000071 0.000069 0.000221 0.002016 0.003960 -0.001513 31O 5s 0.000513 -0.000730 -0.000265 0.000295 0.001019 0.006582 31O 1pz 0.000002 0.000007 0.000004 -0.000064 -0.000118 0.000084 31O 1px 0.000000 -0.000002 -0.000001 0.000039 0.000013 0.000161 31O 1py 0.000002 -0.000004 -0.000004 0.000063 0.000161 -0.000167 31O 2pz 0.000001 -0.000051 0.000001 0.000588 -0.000153 0.000921 31O 2px 0.000006 0.000029 -0.000029 -0.000419 -0.001515 -0.000326 31O 2py -0.000014 0.000055 -0.000003 -0.000664 0.000630 -0.001207 31O 3pz 0.000071 -0.000134 0.000190 0.000463 0.001766 -0.001672 31O 3px -0.000164 0.000252 -0.000083 0.000301 -0.001411 -0.002368 31O 3py -0.000213 0.000009 -0.000202 -0.001188 -0.001882 0.003004 31O 1dz2 -0.000002 -0.000002 0.000001 -0.000015 0.000028 -0.000019 31O 1dxz -0.000002 -0.000002 0.000001 0.000003 -0.000043 0.000031 31O 1dyz -0.000003 0.000001 0.000004 0.000007 0.000099 -0.000087 31O 1dx2y2 -0.000003 -0.000001 0.000002 0.000037 0.000066 -0.000055 31O 1dxy 0.000000 -0.000001 -0.000001 -0.000033 0.000069 -0.000049 31O 2dz2 0.000008 0.000008 -0.000006 0.000063 -0.000310 0.000100 31O 2dxz 0.000007 0.000016 -0.000018 -0.000051 0.000072 -0.000332 31O 2dyz 0.000011 0.000005 -0.000026 -0.000168 -0.000994 0.000756 31O 2dx2y2 0.000008 0.000009 -0.000002 -0.000247 -0.000354 0.000598 31O 2dxy 0.000002 -0.000007 0.000018 0.000205 -0.000330 0.000469 31O 1f0 0.000001 -0.000000 -0.000001 0.000006 0.000107 -0.000149 31O 1f+1 -0.000000 0.000000 -0.000001 0.000012 -0.000008 0.000003 31O 1f-1 -0.000000 0.000001 0.000001 -0.000001 0.000049 -0.000040 31O 1f+2 -0.000003 0.000002 0.000002 -0.000014 0.000206 -0.000164 31O 1f-2 0.000000 0.000000 0.000003 0.000004 0.000174 -0.000149 31O 1f+3 -0.000000 0.000004 -0.000001 -0.000008 -0.000117 0.000142 31O 1f-3 -0.000002 0.000001 0.000003 -0.000023 0.000113 -0.000045 32O 1s -0.000000 -0.000000 -0.000000 -0.000000 -0.000041 -0.000041 32O 2s 0.000001 0.000000 0.000000 0.000002 -0.000050 -0.000126 32O 3s -0.000013 0.000000 -0.000004 -0.000020 -0.000303 0.000608 32O 4s 0.000065 -0.000026 0.000034 0.000100 0.002210 -0.001374 32O 5s -0.000204 0.000099 -0.000139 -0.000363 -0.006703 0.001873 32O 1pz -0.000001 -0.000008 -0.000003 0.000002 -0.000015 -0.000050 32O 1px -0.000000 -0.000002 -0.000002 0.000001 0.000055 0.000145 32O 1py 0.000002 -0.000003 0.000004 -0.000003 0.000054 0.000036 32O 2pz 0.000007 0.000039 0.000012 -0.000019 -0.000162 0.000070 32O 2px 0.000008 0.000006 0.000014 0.000007 0.000457 -0.000171 32O 2py -0.000008 0.000010 -0.000023 0.000006 -0.000257 -0.000160 32O 3pz 0.000001 -0.000185 0.000011 0.000023 0.000798 -0.000419 32O 3px -0.000095 0.000053 -0.000111 -0.000066 -0.002500 0.001016 32O 3py -0.000012 -0.000028 0.000043 -0.000151 -0.001444 -0.000570 32O 1dz2 -0.000001 0.000001 0.000001 0.000000 0.000019 0.000023 32O 1dxz -0.000000 0.000003 -0.000002 -0.000000 0.000007 0.000024 32O 1dyz 0.000000 0.000003 0.000001 0.000000 0.000001 0.000005 32O 1dx2y2 0.000002 -0.000002 0.000002 0.000001 0.000012 -0.000023 32O 1dxy -0.000000 0.000001 -0.000001 0.000002 -0.000014 -0.000020 32O 2dz2 0.000004 -0.000003 -0.000003 -0.000005 -0.000133 -0.000134 32O 2dxz 0.000001 -0.000010 0.000005 0.000001 -0.000068 -0.000125 32O 2dyz 0.000000 -0.000011 -0.000001 -0.000006 -0.000010 -0.000027 32O 2dx2y2 -0.000007 0.000008 -0.000008 -0.000003 -0.000074 0.000079 32O 2dxy 0.000003 -0.000002 0.000003 -0.000004 0.000133 0.000132 32O 1f0 -0.000001 -0.000001 -0.000000 -0.000001 -0.000005 0.000003 32O 1f+1 0.000000 -0.000000 -0.000000 -0.000000 -0.000005 -0.000008 32O 1f-1 -0.000001 0.000000 -0.000001 -0.000002 -0.000052 -0.000034 32O 1f+2 -0.000000 0.000000 0.000000 0.000002 -0.000015 -0.000021 32O 1f-2 -0.000000 0.000001 -0.000001 -0.000001 -0.000043 -0.000031 32O 1f+3 0.000001 0.000001 -0.000000 0.000001 -0.000010 -0.000020 32O 1f-3 -0.000000 -0.000000 -0.000000 0.000001 -0.000011 -0.000012 33O 1s -0.000000 0.000003 0.000000 0.000000 -0.000153 0.000152 33O 2s 0.000006 -0.000038 -0.000002 -0.000003 -0.000243 0.000299 33O 3s -0.000069 0.000492 0.000024 0.000017 -0.000923 0.000009 33O 4s 0.000229 -0.002017 -0.000082 -0.000037 0.003955 -0.001204 33O 5s -0.000188 -0.000590 0.000387 0.000819 0.001222 0.007089 33O 1pz 0.000004 0.000076 0.000004 -0.000008 -0.000207 0.000172 33O 1px -0.000001 -0.000060 0.000000 0.000005 0.000044 0.000128 33O 1py 0.000003 0.000032 -0.000004 -0.000003 -0.000111 0.000154 33O 2pz 0.000016 -0.000785 -0.000017 0.000087 -0.000214 0.001294 33O 2px -0.000038 0.000584 0.000021 -0.000065 -0.001469 -0.000635 33O 2py -0.000009 -0.000289 0.000019 0.000036 -0.000712 0.000576 33O 3pz 0.000220 -0.001274 0.000041 0.000203 0.001539 -0.002762 33O 3px -0.000149 -0.000176 -0.000102 -0.000308 -0.001544 -0.002056 33O 3py 0.000098 -0.000663 0.000064 -0.000111 0.000616 -0.002639 33O 1dz2 -0.000003 0.000030 -0.000002 0.000002 -0.000062 0.000048 33O 1dxz 0.000003 -0.000024 -0.000003 0.000002 -0.000033 0.000022 33O 1dyz -0.000004 -0.000004 0.000003 0.000001 -0.000094 0.000076 33O 1dx2y2 -0.000001 -0.000020 -0.000000 0.000001 0.000030 -0.000021 33O 1dxy 0.000000 -0.000031 -0.000000 -0.000003 -0.000021 0.000014 33O 2dz2 0.000013 -0.000240 0.000010 -0.000002 0.000507 -0.000514 33O 2dxz -0.000033 0.000215 0.000019 -0.000030 -0.000096 -0.000293 33O 2dyz 0.000019 -0.000082 -0.000014 -0.000001 0.000882 -0.000747 33O 2dx2y2 0.000016 0.000085 -0.000009 0.000007 0.000048 0.000333 33O 2dxy -0.000003 0.000177 -0.000002 0.000005 0.000211 -0.000107 33O 1f0 -0.000002 -0.000019 0.000002 0.000001 -0.000076 0.000024 33O 1f+1 -0.000002 0.000006 -0.000002 -0.000003 -0.000066 0.000056 33O 1f-1 -0.000002 -0.000006 0.000001 0.000001 -0.000235 0.000236 33O 1f+2 0.000004 0.000010 -0.000005 0.000001 0.000185 -0.000119 33O 1f-2 -0.000000 0.000015 -0.000001 -0.000001 -0.000067 0.000091 33O 1f+3 0.000001 0.000009 -0.000002 -0.000002 0.000007 0.000041 33O 1f-3 -0.000001 -0.000012 0.000000 -0.000001 -0.000029 0.000017 34O 1s 0.000000 -0.000000 -0.000000 -0.000003 -0.000155 -0.000150 34O 2s -0.000003 0.000001 0.000003 0.000043 -0.000240 -0.000287 34O 3s 0.000021 -0.000018 -0.000037 -0.000517 -0.000980 -0.000117 34O 4s -0.000057 0.000061 0.000133 0.002128 0.004016 0.001427 34O 5s 0.000802 -0.000368 -0.000300 -0.001064 0.001431 -0.006619 34O 1pz -0.000002 0.000005 0.000001 -0.000044 -0.000085 -0.000135 34O 1px -0.000008 -0.000001 0.000006 -0.000065 -0.000133 0.000022 34O 1py 0.000006 0.000004 -0.000001 0.000059 0.000151 0.000188 34O 2pz 0.000022 -0.000025 -0.000009 0.000279 -0.000824 -0.000428 34O 2px 0.000095 0.000025 -0.000010 0.000699 0.001027 -0.001138 34O 2py -0.000052 -0.000006 0.000005 -0.000515 0.000930 0.000928 34O 3pz -0.000186 -0.000062 0.000102 -0.000108 -0.000468 0.002385 34O 3px 0.000326 -0.000142 0.000124 -0.000006 0.002101 -0.000201 34O 3py 0.000009 0.000041 -0.000152 -0.000278 -0.000429 -0.003454 34O 1dz2 -0.000003 0.000000 -0.000000 0.000000 0.000013 0.000017 34O 1dxz 0.000002 -0.000002 -0.000001 -0.000015 -0.000035 -0.000036 34O 1dyz 0.000002 0.000003 -0.000002 -0.000019 0.000109 0.000086 34O 1dx2y2 -0.000002 -0.000002 -0.000001 -0.000001 0.000070 0.000052 34O 1dxy 0.000000 0.000001 0.000001 0.000031 0.000059 0.000056 34O 2dz2 -0.000002 -0.000005 -0.000003 -0.000045 -0.000353 -0.000089 34O 2dxz -0.000009 0.000001 -0.000001 0.000117 0.000165 0.000366 34O 2dyz -0.000005 -0.000016 0.000008 0.000043 -0.000910 -0.000730 34O 2dx2y2 0.000025 0.000019 0.000013 0.000006 -0.000187 -0.000566 34O 2dxy -0.000013 -0.000002 -0.000004 -0.000248 -0.000559 -0.000515 34O 1f0 -0.000001 0.000001 0.000000 0.000015 0.000156 0.000141 34O 1f+1 -0.000000 -0.000001 -0.000001 0.000013 -0.000049 -0.000005 34O 1f-1 0.000002 0.000002 0.000000 0.000007 0.000042 0.000048 34O 1f+2 0.000001 -0.000001 -0.000001 0.000011 0.000140 0.000181 34O 1f-2 0.000000 0.000001 0.000001 -0.000004 0.000163 0.000137 34O 1f+3 -0.000000 -0.000005 -0.000002 0.000018 -0.000192 -0.000117 34O 1f-3 0.000003 -0.000001 -0.000000 -0.000005 0.000066 0.000064 35O 1s -0.000000 0.000003 0.000000 0.000000 -0.000160 -0.000155 35O 2s 0.000003 -0.000044 -0.000003 -0.000001 -0.000253 -0.000304 35O 3s -0.000035 0.000522 0.000029 0.000015 -0.000962 -0.000061 35O 4s 0.000129 -0.002151 -0.000091 -0.000044 0.004183 0.001485 35O 5s -0.000404 0.001351 0.000686 0.000517 -0.000680 -0.007129 35O 1pz 0.000001 0.000061 -0.000000 -0.000003 -0.000172 -0.000238 35O 1px 0.000006 0.000041 -0.000001 -0.000003 -0.000092 0.000048 35O 1py 0.000004 0.000063 -0.000007 0.000001 -0.000142 -0.000131 35O 2pz -0.000007 -0.000483 0.000023 0.000022 -0.001140 -0.000795 35O 2px -0.000023 -0.000525 0.000030 0.000017 0.000945 -0.000968 35O 2py -0.000018 -0.000534 0.000042 0.000014 -0.000351 -0.000854 35O 3pz 0.000171 -0.000104 -0.000076 0.000096 0.000961 0.003997 35O 3px 0.000045 0.000012 0.000227 0.000286 0.002121 -0.000668 35O 3py 0.000140 0.000126 0.000088 0.000047 0.001194 0.002176 35O 1dz2 0.000002 -0.000009 -0.000002 0.000002 -0.000063 -0.000040 35O 1dxz -0.000002 0.000034 -0.000001 0.000003 -0.000009 -0.000016 35O 1dyz 0.000002 -0.000004 0.000002 0.000001 -0.000094 -0.000068 35O 1dx2y2 0.000001 -0.000009 -0.000002 0.000001 0.000032 0.000022 35O 1dxy -0.000000 0.000008 -0.000001 0.000003 -0.000005 -0.000013 35O 2dz2 -0.000009 0.000032 0.000005 -0.000011 0.000376 0.000493 35O 2dxz 0.000003 -0.000233 0.000011 -0.000004 0.000098 0.000255 35O 2dyz -0.000011 -0.000061 -0.000004 -0.000004 0.000894 0.000735 35O 2dx2y2 0.000001 0.000050 0.000009 -0.000003 0.000031 -0.000334 35O 2dxy 0.000001 -0.000102 0.000009 -0.000010 0.000328 0.000102 35O 1f0 0.000001 -0.000001 -0.000004 -0.000001 -0.000019 -0.000034 35O 1f+1 -0.000001 -0.000022 0.000002 0.000001 -0.000107 -0.000044 35O 1f-1 0.000001 0.000012 0.000000 0.000000 -0.000249 -0.000244 35O 1f+2 -0.000000 0.000000 0.000001 0.000001 0.000127 0.000129 35O 1f-2 -0.000000 -0.000001 0.000001 0.000003 -0.000101 -0.000075 35O 1f+3 -0.000001 0.000001 0.000001 0.000001 -0.000073 -0.000030 35O 1f-3 -0.000001 -0.000019 0.000001 0.000001 -0.000068 -0.000017 48 49 50 51 52 53 -1.86759 -1.86520 -1.85942 -1.85671 -1.84436 -1.82229 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s 0.000008 0.000003 -0.000009 -0.000002 0.000445 -0.000301 0Rh 2s -0.000037 -0.000007 0.000029 0.000002 -0.001731 0.001148 0Rh 3s 0.000021 0.000015 -0.000033 -0.000010 0.001462 -0.001010 0Rh 4s 0.000143 0.000028 -0.000102 0.000002 0.006614 -0.004599 0Rh 5s -0.000095 -0.000024 0.000017 -0.000049 -0.003944 0.003848 0Rh 6s -0.000190 -0.000002 0.000223 0.000082 -0.009085 0.003796 0Rh 7s 0.000068 -0.000223 0.000054 0.000019 0.002291 0.000349 0Rh 8s 0.001435 -0.000397 -0.000846 -0.000245 0.004578 0.006553 0Rh 1pz -0.091879 0.096021 -0.079667 -0.078434 0.037680 0.038673 0Rh 1px -0.012526 0.012261 -0.042865 -0.043999 -0.119190 -0.121629 0Rh 1py -0.086499 0.087356 0.090885 0.092549 -0.024781 -0.023459 0Rh 2pz 0.301563 -0.315171 0.261519 0.257481 -0.123705 -0.127020 0Rh 2px 0.041111 -0.040244 0.140710 0.144439 0.391305 0.399484 0Rh 2py 0.283916 -0.286738 -0.298352 -0.303826 0.081360 0.077050 0Rh 3pz -0.214196 0.223855 -0.186035 -0.183154 0.088315 0.090794 0Rh 3px -0.029206 0.028576 -0.100072 -0.102732 -0.279312 -0.285516 0Rh 3py -0.201718 0.203698 0.212285 0.216158 -0.058082 -0.055084 0Rh 4pz -0.276228 0.288975 -0.239028 -0.235620 0.111744 0.115607 0Rh 4px -0.037569 0.036898 -0.128730 -0.132228 -0.353590 -0.363623 0Rh 4py -0.260084 0.263015 0.272791 0.278177 -0.073544 -0.070071 0Rh 5pz -0.124564 0.130079 -0.108224 -0.106376 0.052635 0.052732 0Rh 5px -0.017184 0.016710 -0.058009 -0.059546 -0.166428 -0.165921 0Rh 5py -0.117017 0.117953 0.123036 0.124996 -0.034540 -0.032062 0Rh 6pz -0.008159 0.004958 -0.006641 -0.004187 0.002248 0.002983 0Rh 6px -0.000560 0.000421 -0.004205 -0.002487 -0.008347 -0.009619 0Rh 6py -0.006506 0.003774 0.007035 0.004480 -0.003115 -0.002151 0Rh 1dz2 0.000113 -0.000000 0.000091 -0.000037 0.000364 -0.000375 0Rh 1dxz -0.000184 0.000019 -0.000132 0.000070 0.000564 -0.000433 0Rh 1dyz -0.000009 0.000063 -0.000105 0.000064 0.000080 -0.000112 0Rh 1dx2y2 0.000027 -0.000012 -0.000126 0.000080 -0.000844 0.000643 0Rh 1dxy -0.000176 -0.000097 0.000148 -0.000215 -0.000319 0.000247 0Rh 2dz2 -0.000002 0.000014 -0.000008 -0.000017 -0.000042 -0.000048 0Rh 2dxz -0.000008 -0.000014 0.000003 0.000013 -0.000009 -0.000019 0Rh 2dyz -0.000003 0.000005 0.000017 0.000020 -0.000006 -0.000005 0Rh 2dx2y2 0.000004 -0.000005 0.000023 0.000031 0.000040 0.000061 0Rh 2dxy 0.000018 -0.000031 -0.000026 -0.000030 0.000033 0.000030 0Rh 3dz2 -0.000210 0.000062 -0.000130 0.000051 -0.000208 0.000631 0Rh 3dxz 0.000359 -0.000128 0.000220 -0.000049 -0.000537 0.000603 0Rh 3dyz 0.000009 -0.000087 0.000125 -0.000094 -0.000053 0.000160 0Rh 3dx2y2 -0.000040 0.000010 0.000143 -0.000142 0.000740 -0.000977 0Rh 3dxy 0.000242 0.000116 -0.000144 0.000333 0.000228 -0.000396 0Rh 4dz2 0.000005 -0.000129 -0.000060 0.000109 -0.000834 0.000740 0Rh 4dxz -0.000019 0.000174 0.000004 -0.000288 -0.001157 0.000951 0Rh 4dyz 0.000088 -0.000163 0.000063 -0.000228 -0.000083 0.000351 0Rh 4dx2y2 -0.000053 0.000030 0.000088 -0.000227 0.001828 -0.001274 0Rh 4dxy 0.000084 0.000335 -0.000115 0.000528 0.000772 -0.000476 0Rh 5dz2 -0.000456 -0.000196 -0.000418 0.000143 -0.001994 -0.000609 0Rh 5dxz 0.000864 0.000184 0.000760 -0.000066 -0.002291 -0.000393 0Rh 5dyz -0.000162 -0.000059 0.000631 0.000095 -0.001013 -0.000735 0Rh 5dx2y2 -0.000151 0.000117 0.000774 0.000007 0.003178 0.000292 0Rh 5dxy 0.001013 0.000090 -0.001126 -0.000056 0.001046 0.000059 0Rh 1f0 0.000254 -0.000130 -0.001079 -0.001195 0.001682 0.002295 0Rh 1f+1 -0.000266 0.000498 -0.000793 -0.001040 -0.001672 -0.002190 0Rh 1f-1 0.000532 -0.000489 -0.000282 -0.000275 0.000120 0.000047 0Rh 1f+2 0.000650 -0.000872 -0.000789 -0.000744 -0.001174 -0.001943 0Rh 1f-2 -0.000093 0.000130 0.000567 0.000787 -0.001302 -0.001617 0Rh 1f+3 0.000653 -0.000738 -0.001055 -0.001326 -0.001394 -0.002289 0Rh 1f-3 -0.001312 0.001612 0.001538 0.001831 -0.000396 -0.000866 1Rh 1s -0.000008 0.000004 0.000009 -0.000002 0.000445 0.000302 1Rh 2s 0.000036 -0.000009 -0.000030 0.000003 -0.001729 -0.001151 1Rh 3s -0.000020 0.000016 0.000033 -0.000010 0.001460 0.001013 1Rh 4s -0.000139 0.000035 0.000105 -0.000000 0.006606 0.004612 1Rh 5s 0.000091 -0.000030 -0.000020 -0.000046 -0.003937 -0.003856 1Rh 6s 0.000187 -0.000008 -0.000224 0.000084 -0.009079 -0.003812 1Rh 7s -0.000074 -0.000219 -0.000060 0.000016 0.002294 -0.000351 1Rh 8s -0.001418 -0.000337 0.000877 -0.000272 0.004581 -0.006538 1Rh 1pz -0.094348 -0.093701 -0.079902 0.078070 -0.037763 0.038591 1Rh 1px -0.012846 -0.011967 -0.043043 0.043824 0.119450 -0.121372 1Rh 1py -0.088680 -0.085020 0.091343 -0.092205 0.024843 -0.023415 1Rh 2pz 0.309669 0.307558 0.262288 -0.256285 0.123978 -0.126750 1Rh 2px 0.042163 0.039280 0.141294 -0.143863 -0.392156 0.398639 1Rh 2py 0.291075 0.279072 -0.299854 0.302695 -0.081561 0.076905 1Rh 3pz -0.219953 -0.218448 -0.186584 0.182305 -0.088511 0.090602 1Rh 3px -0.029953 -0.027891 -0.100488 0.102323 0.279921 -0.284914 1Rh 3py -0.206804 -0.198251 0.213356 -0.215354 0.058226 -0.054980 1Rh 4pz -0.283659 -0.282001 -0.239732 0.234526 -0.111994 0.115364 1Rh 4px -0.038535 -0.036017 -0.129265 0.131700 0.354366 -0.362860 1Rh 4py -0.266651 -0.255993 0.274166 -0.277143 0.073727 -0.069941 1Rh 5pz -0.127908 -0.126934 -0.108540 0.105879 -0.052747 0.052616 1Rh 5px -0.017620 -0.016306 -0.058248 0.059307 0.166777 -0.165559 1Rh 5py -0.119960 -0.114792 0.123652 -0.124527 0.034623 -0.031999 1Rh 6pz -0.008282 -0.004748 -0.006660 0.004157 -0.002242 0.002963 1Rh 6px -0.000573 -0.000417 -0.004221 0.002476 0.008370 -0.009600 1Rh 6py -0.006611 -0.003605 0.007049 -0.004447 0.003110 -0.002142 1Rh 1dz2 -0.000113 0.000002 -0.000092 -0.000037 0.000363 0.000376 1Rh 1dxz 0.000185 0.000015 0.000131 0.000071 0.000564 0.000434 1Rh 1dyz 0.000010 0.000063 0.000105 0.000064 0.000080 0.000112 1Rh 1dx2y2 -0.000028 -0.000012 0.000125 0.000080 -0.000843 -0.000645 1Rh 1dxy 0.000174 -0.000102 -0.000147 -0.000215 -0.000319 -0.000248 1Rh 2dz2 0.000002 0.000014 0.000009 -0.000017 -0.000042 0.000048 1Rh 2dxz 0.000007 -0.000014 -0.000003 0.000013 -0.000009 0.000019 1Rh 2dyz 0.000003 0.000005 -0.000018 0.000020 -0.000006 0.000005 1Rh 2dx2y2 -0.000004 -0.000005 -0.000024 0.000031 0.000040 -0.000061 1Rh 2dxy -0.000019 -0.000030 0.000026 -0.000030 0.000033 -0.000030 1Rh 3dz2 0.000212 0.000057 0.000130 0.000051 -0.000207 -0.000631 1Rh 3dxz -0.000363 -0.000119 -0.000220 -0.000050 -0.000536 -0.000604 1Rh 3dyz -0.000012 -0.000088 -0.000125 -0.000095 -0.000053 -0.000159 1Rh 3dx2y2 0.000041 0.000009 -0.000142 -0.000143 0.000738 0.000979 1Rh 3dxy -0.000240 0.000123 0.000143 0.000333 0.000228 0.000396 1Rh 4dz2 -0.000007 -0.000128 0.000061 0.000108 -0.000831 -0.000743 1Rh 4dxz 0.000025 0.000174 -0.000003 -0.000288 -0.001157 -0.000951 1Rh 4dyz -0.000091 -0.000159 -0.000062 -0.000228 -0.000082 -0.000352 1Rh 4dx2y2 0.000054 0.000028 -0.000087 -0.000227 0.001825 0.001278 1Rh 4dxy -0.000075 0.000338 0.000113 0.000527 0.000771 0.000477 1Rh 5dz2 0.000453 -0.000205 0.000419 0.000144 -0.001997 0.000605 1Rh 5dxz -0.000858 0.000207 -0.000758 -0.000071 -0.002295 0.000390 1Rh 5dyz 0.000160 -0.000062 -0.000634 0.000094 -0.001022 0.000738 1Rh 5dx2y2 0.000154 0.000111 -0.000775 0.000005 0.003179 -0.000283 1Rh 5dxy -0.001011 0.000118 0.001126 -0.000051 0.001046 -0.000055 1Rh 1f0 0.000257 0.000123 -0.001086 0.001193 -0.001686 0.002290 1Rh 1f+1 -0.000279 -0.000491 -0.000799 0.001038 0.001678 -0.002188 1Rh 1f-1 0.000541 0.000473 -0.000286 0.000277 -0.000123 0.000049 1Rh 1f+2 0.000672 0.000855 -0.000795 0.000743 0.001173 -0.001935 1Rh 1f-2 -0.000097 -0.000128 0.000570 -0.000785 0.001308 -0.001617 1Rh 1f+3 0.000670 0.000718 -0.001061 0.001322 0.001395 -0.002282 1Rh 1f-3 -0.001353 -0.001577 0.001549 -0.001827 0.000396 -0.000863 2C 1s -0.000007 0.000000 -0.000001 -0.000000 -0.000001 -0.000000 2C 2s -0.000028 -0.000001 -0.000004 0.000000 -0.000001 0.000001 2C 3s 0.000489 0.000052 0.000091 -0.000016 0.000176 -0.000044 2C 4s -0.002656 -0.000274 -0.000520 0.000094 -0.001085 0.000237 2C 5s 0.002014 -0.000354 0.000477 0.000296 -0.001604 -0.000295 2C 1pz 0.000056 0.000001 0.000013 0.000005 0.000019 0.000005 2C 1px 0.000017 0.000005 0.000004 -0.000005 0.000008 -0.000010 2C 1py 0.000036 0.000004 0.000008 -0.000007 0.000008 -0.000005 2C 2pz -0.000952 -0.000074 -0.000260 -0.000038 -0.000478 0.000053 2C 2px -0.000278 -0.000039 -0.000053 0.000063 -0.000136 -0.000054 2C 2py -0.000633 -0.000080 -0.000188 0.000083 -0.000279 0.000053 2C 3pz 0.000230 0.000213 0.000002 0.000151 -0.000821 -0.000105 2C 3px 0.000202 -0.001063 -0.000139 0.000089 -0.000033 0.000354 2C 3py 0.000140 -0.000264 0.000260 -0.000062 -0.000612 0.000037 2C 1dz2 -0.000015 -0.000023 0.000006 0.000002 -0.000001 0.000005 2C 1dxz -0.000007 0.000028 -0.000001 -0.000002 0.000001 -0.000005 2C 1dyz -0.000021 0.000003 -0.000011 0.000002 -0.000000 0.000001 2C 1dx2y2 0.000008 0.000014 0.000010 0.000001 0.000001 -0.000001 2C 1dxy -0.000003 0.000022 0.000006 -0.000005 -0.000000 -0.000003 2C 2dz2 -0.000185 0.000106 -0.000087 -0.000016 -0.000137 -0.000047 2C 2dxz -0.000013 -0.000182 -0.000020 0.000048 -0.000022 0.000139 2C 2dyz -0.000320 -0.000034 -0.000077 -0.000000 -0.000218 -0.000027 2C 2dx2y2 0.000044 -0.000036 0.000002 0.000016 0.000043 -0.000072 2C 2dxy -0.000041 -0.000130 -0.000058 0.000014 -0.000034 0.000073 2C 1f0 -0.000014 0.000006 0.000003 -0.000003 -0.000011 -0.000020 2C 1f+1 -0.000019 -0.000003 -0.000003 0.000006 -0.000012 0.000011 2C 1f-1 -0.000037 -0.000006 -0.000011 -0.000000 -0.000023 0.000003 2C 1f+2 0.000035 0.000002 0.000007 0.000002 0.000023 0.000006 2C 1f-2 -0.000014 -0.000012 -0.000005 0.000005 -0.000009 0.000026 2C 1f+3 0.000001 0.000000 -0.000004 -0.000001 0.000006 0.000005 2C 1f-3 -0.000015 0.000004 -0.000005 -0.000002 -0.000008 -0.000010 3C 1s 0.000001 -0.000000 -0.000007 0.000000 -0.000001 0.000000 3C 2s 0.000004 0.000000 -0.000026 0.000001 -0.000003 -0.000000 3C 3s 0.000004 -0.000011 0.000420 0.000007 0.000153 0.000015 3C 4s 0.000008 0.000063 -0.002318 -0.000118 -0.000800 -0.000097 3C 5s 0.000021 -0.000256 0.000446 -0.000692 -0.004023 0.000628 3C 1pz -0.000004 -0.000001 0.000020 0.000004 0.000010 0.000002 3C 1px 0.000000 -0.000007 0.000022 -0.000003 0.000012 -0.000006 3C 1py 0.000000 -0.000005 -0.000054 -0.000006 -0.000023 -0.000003 3C 2pz 0.000039 0.000024 -0.000399 -0.000093 -0.000150 -0.000001 3C 2px -0.000027 0.000050 -0.000342 -0.000028 -0.000167 -0.000084 3C 2py 0.000030 0.000034 0.000845 0.000168 0.000334 0.000063 3C 3pz -0.000321 -0.000102 -0.000144 -0.000436 -0.000833 0.000001 3C 3px 0.000101 -0.000028 -0.000016 0.000981 -0.000561 0.000286 3C 3py -0.000142 -0.000026 0.000016 0.000291 0.001386 -0.000112 3C 1dz2 0.000013 0.000004 0.000004 0.000012 -0.000002 0.000001 3C 1dxz 0.000003 -0.000004 -0.000007 -0.000006 0.000002 -0.000002 3C 1dyz -0.000005 -0.000002 0.000018 -0.000007 -0.000003 0.000001 3C 1dx2y2 0.000004 -0.000005 0.000011 -0.000022 -0.000003 0.000000 3C 1dxy -0.000002 0.000005 0.000010 0.000038 -0.000003 0.000003 3C 2dz2 -0.000044 -0.000002 0.000054 -0.000054 0.000036 -0.000014 3C 2dxz 0.000018 -0.000017 -0.000054 0.000023 -0.000044 0.000103 3C 2dyz 0.000037 0.000003 0.000195 0.000113 0.000133 0.000100 3C 2dx2y2 0.000005 0.000000 0.000140 0.000150 0.000048 0.000032 3C 2dxy 0.000010 -0.000018 0.000120 -0.000149 0.000076 -0.000035 3C 1f0 -0.000001 0.000003 0.000007 0.000001 -0.000006 0.000002 3C 1f+1 0.000002 -0.000001 -0.000008 -0.000003 -0.000007 -0.000007 3C 1f-1 -0.000007 -0.000002 -0.000005 0.000004 -0.000001 0.000004 3C 1f+2 0.000010 -0.000005 0.000024 -0.000001 0.000015 0.000005 3C 1f-2 0.000004 0.000002 0.000027 0.000001 0.000015 0.000001 3C 1f+3 -0.000001 0.000000 -0.000026 -0.000004 -0.000008 0.000007 3C 1f-3 0.000008 -0.000004 0.000020 0.000008 -0.000000 0.000018 4C 1s -0.000268 0.000006 -0.000044 -0.000002 -0.000087 -0.000003 4C 2s -0.000491 0.000012 -0.000079 -0.000006 -0.000178 -0.000005 4C 3s 0.000062 0.000007 -0.000068 -0.000021 -0.000165 0.000029 4C 4s 0.002312 -0.000151 0.000749 0.000265 0.002488 -0.000148 4C 5s -0.006122 0.000452 -0.001192 0.000335 -0.001605 -0.000220 4C 1pz 0.000483 0.000142 0.000090 -0.000015 0.000175 -0.000056 4C 1px 0.000091 -0.000455 0.000010 0.000060 0.000040 0.000170 4C 1py 0.000330 -0.000086 0.000043 0.000014 0.000129 0.000030 4C 2pz -0.000672 -0.000522 -0.000387 0.000075 -0.000097 0.000164 4C 2px 0.000044 0.001145 0.000267 0.000010 -0.000033 -0.000309 4C 2py -0.000384 0.000123 0.000168 0.000051 -0.000097 -0.000025 4C 3pz -0.002526 -0.001081 -0.000266 0.000560 -0.002514 0.000397 4C 3px -0.000997 0.002122 0.000519 -0.000322 -0.001008 -0.001461 4C 3py -0.001844 0.000158 -0.000264 0.000268 -0.001807 -0.000330 4C 1dz2 0.000010 0.000040 -0.000018 0.000002 -0.000027 -0.000010 4C 1dxz 0.000003 -0.000067 -0.000000 -0.000003 -0.000053 0.000026 4C 1dyz 0.000035 -0.000004 0.000008 -0.000006 0.000005 -0.000001 4C 1dx2y2 0.000005 -0.000015 -0.000001 -0.000009 0.000075 0.000001 4C 1dxy 0.000019 -0.000051 0.000009 0.000020 0.000036 0.000018 4C 2dz2 0.000382 -0.000069 0.000049 -0.000069 0.000129 0.000006 4C 2dxz 0.000277 0.000207 0.000105 0.000035 0.000066 -0.000077 4C 2dyz 0.000650 0.000037 0.000173 -0.000011 0.000363 -0.000015 4C 2dx2y2 -0.000161 0.000003 -0.000034 0.000055 0.000058 -0.000003 4C 2dxy 0.000195 0.000121 0.000114 0.000107 0.000141 -0.000079 4C 1f0 -0.000027 0.000029 -0.000000 -0.000013 -0.000029 0.000047 4C 1f+1 -0.000063 -0.000025 0.000013 0.000005 -0.000070 -0.000034 4C 1f-1 0.000016 -0.000016 -0.000012 0.000008 0.000014 0.000020 4C 1f+2 0.000028 -0.000048 -0.000008 0.000005 0.000047 -0.000032 4C 1f-2 0.000016 -0.000014 -0.000027 -0.000008 0.000002 -0.000054 4C 1f+3 -0.000005 -0.000062 0.000034 -0.000021 0.000007 -0.000045 4C 1f-3 -0.000052 -0.000032 -0.000061 -0.000016 -0.000066 -0.000003 5C 1s 0.000042 -0.000002 -0.000274 -0.000000 -0.000088 0.000002 5C 2s 0.000080 -0.000004 -0.000508 0.000001 -0.000171 0.000004 5C 3s -0.000089 -0.000061 0.000200 0.000018 -0.000507 -0.000024 5C 4s -0.000049 0.000431 0.001799 -0.000165 0.004227 0.000057 5C 5s 0.000566 0.000638 -0.005355 -0.000014 0.000058 -0.000319 5C 1pz -0.000032 -0.000024 0.000300 -0.000154 0.000078 -0.000048 5C 1px -0.000005 0.000074 0.000184 0.000493 0.000047 0.000152 5C 1py 0.000080 0.000015 -0.000479 0.000086 -0.000129 0.000026 5C 2pz -0.000117 0.000166 -0.000261 0.000365 0.000445 -0.000225 5C 2px -0.000531 -0.000265 -0.000302 -0.001515 0.000139 0.000475 5C 2py -0.000169 -0.000168 0.000398 -0.000089 -0.000672 0.000186 5C 3pz 0.000729 0.000145 -0.002096 0.000491 -0.002377 0.000637 5C 3px -0.000396 -0.000107 -0.001198 -0.002545 -0.001156 -0.001116 5C 3py -0.000578 -0.000102 0.003474 0.000044 0.003880 -0.000606 5C 1dz2 -0.000008 -0.000012 -0.000025 -0.000025 -0.000061 -0.000015 5C 1dxz -0.000013 0.000018 -0.000003 0.000042 -0.000060 0.000022 5C 1dyz 0.000010 0.000005 -0.000041 0.000038 -0.000043 0.000024 5C 1dx2y2 -0.000007 0.000010 -0.000011 0.000047 0.000093 0.000025 5C 1dxy 0.000015 -0.000003 -0.000010 -0.000070 0.000029 -0.000040 5C 2dz2 0.000041 -0.000018 -0.000040 0.000127 -0.000194 -0.000049 5C 2dxz -0.000045 -0.000066 0.000232 -0.000065 -0.000156 0.000042 5C 2dyz -0.000034 -0.000080 -0.000533 -0.000157 -0.000390 0.000005 5C 2dx2y2 -0.000077 -0.000003 -0.000422 -0.000280 0.000029 0.000067 5C 2dxy 0.000073 0.000140 -0.000311 0.000168 -0.000031 -0.000123 5C 1f0 0.000021 -0.000006 -0.000050 -0.000058 -0.000060 0.000031 5C 1f+1 0.000047 -0.000008 -0.000032 0.000050 -0.000056 -0.000023 5C 1f-1 0.000017 -0.000007 -0.000000 0.000005 -0.000006 -0.000006 5C 1f+2 -0.000027 0.000011 -0.000010 0.000078 -0.000018 -0.000039 5C 1f-2 0.000021 0.000024 0.000026 0.000029 0.000053 -0.000008 5C 1f+3 -0.000000 0.000031 -0.000027 0.000081 -0.000056 -0.000057 5C 1f-3 0.000021 0.000023 0.000057 0.000043 0.000088 -0.000030 6C 1s -0.000042 -0.000001 0.000274 0.000001 -0.000088 -0.000002 6C 2s -0.000080 -0.000001 0.000508 0.000003 -0.000171 -0.000004 6C 3s 0.000086 -0.000062 -0.000197 0.000020 -0.000500 0.000025 6C 4s 0.000068 0.000424 -0.001818 -0.000186 0.004181 -0.000063 6C 5s -0.000564 0.000653 0.005328 0.000006 0.000044 0.000310 6C 1pz -0.000031 0.000025 0.000299 0.000155 -0.000078 -0.000048 6C 1px -0.000007 -0.000073 0.000186 -0.000492 -0.000047 0.000153 6C 1py 0.000080 -0.000017 -0.000479 -0.000088 0.000130 0.000026 6C 2pz -0.000122 -0.000162 -0.000255 -0.000363 -0.000434 -0.000219 6C 2px -0.000524 0.000279 -0.000314 0.001505 -0.000150 0.000468 6C 2py -0.000164 0.000171 0.000391 0.000087 0.000657 0.000179 6C 3pz 0.000717 -0.000166 -0.002077 -0.000492 0.002394 0.000644 6C 3px -0.000393 0.000126 -0.001202 0.002527 0.001157 -0.001122 6C 3py -0.000561 0.000114 0.003445 -0.000035 -0.003903 -0.000616 6C 1dz2 0.000007 -0.000012 0.000025 -0.000025 -0.000061 0.000015 6C 1dxz 0.000013 0.000017 0.000002 0.000043 -0.000059 -0.000022 6C 1dyz -0.000010 0.000005 0.000041 0.000038 -0.000043 -0.000024 6C 1dx2y2 0.000007 0.000010 0.000010 0.000047 0.000093 -0.000025 6C 1dxy -0.000015 -0.000002 0.000010 -0.000070 0.000029 0.000040 6C 2dz2 -0.000042 -0.000016 0.000041 0.000128 -0.000191 0.000049 6C 2dxz 0.000042 -0.000066 -0.000228 -0.000065 -0.000149 -0.000039 6C 2dyz 0.000031 -0.000080 0.000536 -0.000153 -0.000387 -0.000005 6C 2dx2y2 0.000077 -0.000006 0.000421 -0.000278 0.000023 -0.000069 6C 2dxy -0.000069 0.000141 0.000307 0.000167 -0.000038 0.000121 6C 1f0 0.000022 0.000006 -0.000051 0.000057 0.000059 0.000031 6C 1f+1 0.000048 0.000007 -0.000032 -0.000050 0.000056 -0.000023 6C 1f-1 0.000017 0.000007 -0.000000 -0.000005 0.000006 -0.000006 6C 1f+2 -0.000027 -0.000010 -0.000010 -0.000078 0.000018 -0.000040 6C 1f-2 0.000020 -0.000024 0.000027 -0.000028 -0.000052 -0.000007 6C 1f+3 -0.000001 -0.000031 -0.000027 -0.000082 0.000056 -0.000057 6C 1f-3 0.000020 -0.000023 0.000058 -0.000042 -0.000087 -0.000030 7C 1s 0.000268 -0.000000 0.000044 -0.000002 -0.000087 0.000003 7C 2s 0.000491 -0.000000 0.000078 -0.000005 -0.000178 0.000005 7C 3s -0.000060 0.000009 0.000066 -0.000020 -0.000158 -0.000031 7C 4s -0.002329 -0.000093 -0.000738 0.000257 0.002449 0.000164 7C 5s 0.006111 0.000298 0.001163 0.000339 -0.001620 0.000228 7C 1pz 0.000479 -0.000154 0.000090 0.000016 -0.000174 -0.000056 7C 1px 0.000102 0.000453 0.000009 -0.000059 -0.000040 0.000170 7C 1py 0.000332 0.000078 0.000043 -0.000013 -0.000130 0.000030 7C 2pz -0.000653 0.000537 -0.000393 -0.000075 0.000102 0.000161 7C 2px 0.000019 -0.001140 0.000267 -0.000009 0.000045 -0.000316 7C 2py -0.000385 -0.000111 0.000164 -0.000049 0.000105 -0.000030 7C 3pz -0.002477 0.001143 -0.000295 -0.000553 0.002523 0.000416 7C 3px -0.001049 -0.002087 0.000508 0.000319 0.001017 -0.001464 7C 3py -0.001836 -0.000110 -0.000285 -0.000269 0.001823 -0.000321 7C 1dz2 -0.000008 0.000041 0.000018 0.000002 -0.000027 0.000010 7C 1dxz -0.000004 -0.000067 0.000000 -0.000003 -0.000053 -0.000026 7C 1dyz -0.000035 -0.000003 -0.000008 -0.000006 0.000005 0.000001 7C 1dx2y2 -0.000005 -0.000015 0.000001 -0.000009 0.000074 -0.000001 7C 1dxy -0.000020 -0.000050 -0.000009 0.000020 0.000035 -0.000018 7C 2dz2 -0.000381 -0.000059 -0.000051 -0.000068 0.000132 -0.000008 7C 2dxz -0.000270 0.000212 -0.000109 0.000034 0.000067 0.000078 7C 2dyz -0.000650 0.000053 -0.000175 -0.000011 0.000364 0.000015 7C 2dx2y2 0.000160 0.000000 0.000039 0.000053 0.000051 0.000005 7C 2dxy -0.000195 0.000124 -0.000114 0.000106 0.000136 0.000080 7C 1f0 -0.000028 -0.000028 -0.000000 0.000014 0.000029 0.000047 7C 1f+1 -0.000063 0.000027 0.000013 -0.000006 0.000068 -0.000034 7C 1f-1 0.000016 0.000016 -0.000013 -0.000008 -0.000015 0.000020 7C 1f+2 0.000029 0.000047 -0.000008 -0.000005 -0.000046 -0.000032 7C 1f-2 0.000017 0.000013 -0.000027 0.000008 -0.000002 -0.000054 7C 1f+3 -0.000003 0.000062 0.000034 0.000021 -0.000007 -0.000045 7C 1f-3 -0.000052 0.000033 -0.000061 0.000016 0.000065 -0.000002 8C 1s -0.000001 0.000000 0.000007 0.000000 -0.000001 -0.000000 8C 2s -0.000004 0.000000 0.000026 0.000001 -0.000003 0.000000 8C 3s -0.000003 -0.000011 -0.000420 0.000004 0.000153 -0.000014 8C 4s -0.000010 0.000064 0.002316 -0.000104 -0.000802 0.000091 8C 5s -0.000004 -0.000262 -0.000464 -0.000702 -0.004051 -0.000632 8C 1pz -0.000004 0.000001 0.000020 -0.000004 -0.000010 0.000001 8C 1px 0.000000 0.000007 0.000022 0.000003 -0.000012 -0.000006 8C 1py 0.000000 0.000005 -0.000054 0.000006 0.000023 -0.000003 8C 2pz 0.000037 -0.000026 -0.000399 0.000091 0.000152 0.000000 8C 2px -0.000029 -0.000048 -0.000344 0.000026 0.000169 -0.000084 8C 2py 0.000030 -0.000036 0.000845 -0.000163 -0.000335 0.000060 8C 3pz -0.000321 0.000115 -0.000140 0.000434 0.000835 0.000002 8C 3px 0.000099 0.000022 -0.000008 -0.000979 0.000562 0.000288 8C 3py -0.000139 0.000030 0.000012 -0.000292 -0.001392 -0.000114 8C 1dz2 -0.000013 0.000005 -0.000004 0.000012 -0.000002 -0.000001 8C 1dxz -0.000003 -0.000004 0.000007 -0.000006 0.000002 0.000002 8C 1dyz 0.000005 -0.000002 -0.000018 -0.000007 -0.000003 -0.000001 8C 1dx2y2 -0.000004 -0.000005 -0.000011 -0.000022 -0.000003 -0.000000 8C 1dxy 0.000002 0.000005 -0.000010 0.000038 -0.000003 -0.000003 8C 2dz2 0.000044 -0.000003 -0.000054 -0.000055 0.000036 0.000012 8C 2dxz -0.000019 -0.000016 0.000054 0.000024 -0.000044 -0.000103 8C 2dyz -0.000037 0.000005 -0.000196 0.000111 0.000133 -0.000101 8C 2dx2y2 -0.000004 0.000001 -0.000140 0.000150 0.000049 -0.000031 8C 2dxy -0.000011 -0.000019 -0.000120 -0.000149 0.000076 0.000036 8C 1f0 -0.000001 -0.000003 0.000007 -0.000001 0.000006 0.000002 8C 1f+1 0.000002 0.000001 -0.000008 0.000003 0.000006 -0.000007 8C 1f-1 -0.000007 0.000002 -0.000005 -0.000004 0.000001 0.000004 8C 1f+2 0.000009 0.000005 0.000024 0.000002 -0.000015 0.000005 8C 1f-2 0.000004 -0.000002 0.000027 -0.000001 -0.000016 0.000001 8C 1f+3 -0.000001 -0.000000 -0.000026 0.000004 0.000008 0.000007 8C 1f-3 0.000008 0.000004 0.000020 -0.000008 -0.000000 0.000018 9C 1s 0.000007 0.000000 0.000001 -0.000000 -0.000001 0.000000 9C 2s 0.000028 -0.000001 0.000004 0.000000 -0.000001 -0.000001 9C 3s -0.000487 0.000066 -0.000094 -0.000017 0.000175 0.000045 9C 4s 0.002643 -0.000345 0.000533 0.000095 -0.001084 -0.000239 9C 5s -0.002033 -0.000297 -0.000431 0.000287 -0.001618 0.000279 9C 1pz 0.000056 -0.000003 0.000013 -0.000005 -0.000019 0.000005 9C 1px 0.000017 -0.000005 0.000004 0.000004 -0.000008 -0.000010 9C 1py 0.000036 -0.000005 0.000009 0.000007 -0.000009 -0.000005 9C 2pz -0.000946 0.000098 -0.000264 0.000037 0.000477 0.000053 9C 2px -0.000276 0.000046 -0.000052 -0.000059 0.000136 -0.000056 9C 2py -0.000637 0.000094 -0.000193 -0.000083 0.000283 0.000051 9C 3pz 0.000228 -0.000221 -0.000010 -0.000150 0.000823 -0.000102 9C 3px 0.000230 0.001055 -0.000141 -0.000097 0.000028 0.000359 9C 3py 0.000151 0.000266 0.000254 0.000066 0.000616 0.000045 9C 1dz2 0.000014 -0.000023 -0.000006 0.000002 -0.000001 -0.000005 9C 1dxz 0.000008 0.000027 0.000001 -0.000002 0.000001 0.000005 9C 1dyz 0.000021 0.000002 0.000011 0.000002 -0.000000 -0.000001 9C 1dx2y2 -0.000008 0.000014 -0.000010 0.000001 0.000001 0.000000 9C 1dxy 0.000004 0.000022 -0.000006 -0.000005 -0.000000 0.000003 9C 2dz2 0.000185 0.000102 0.000088 -0.000016 -0.000136 0.000048 9C 2dxz 0.000006 -0.000181 0.000021 0.000047 -0.000021 -0.000141 9C 2dyz 0.000321 -0.000042 0.000077 0.000000 -0.000219 0.000028 9C 2dx2y2 -0.000046 -0.000034 -0.000004 0.000016 0.000044 0.000072 9C 2dxy 0.000038 -0.000133 0.000057 0.000015 -0.000033 -0.000071 9C 1f0 -0.000014 -0.000006 0.000003 0.000003 0.000011 -0.000020 9C 1f+1 -0.000019 0.000004 -0.000003 -0.000006 0.000012 0.000010 9C 1f-1 -0.000036 0.000007 -0.000011 0.000000 0.000022 0.000003 9C 1f+2 0.000035 -0.000003 0.000008 -0.000002 -0.000023 0.000005 9C 1f-2 -0.000013 0.000012 -0.000005 -0.000005 0.000009 0.000026 9C 1f+3 0.000001 -0.000000 -0.000004 0.000001 -0.000006 0.000006 9C 1f-3 -0.000016 -0.000004 -0.000005 0.000002 0.000008 -0.000011 10H 1s 0.000023 -0.000014 0.000004 0.000004 -0.000006 -0.000001 10H 2s 0.000069 -0.000007 -0.000029 -0.000033 0.000146 0.000213 10H 3s -0.000575 0.000396 -0.000022 0.000060 -0.000361 -0.000197 10H 1pz 0.000028 0.000006 -0.000004 -0.000006 0.000013 0.000018 10H 1px -0.000038 0.000016 -0.000000 0.000004 -0.000022 -0.000022 10H 1py 0.000012 0.000004 0.000004 -0.000003 0.000006 0.000009 11H 1s 0.000015 0.000007 0.000004 0.000002 -0.000017 -0.000000 11H 2s -0.000144 0.000039 -0.000052 -0.000064 0.000046 -0.000126 11H 3s -0.000304 -0.000171 -0.000148 0.000146 -0.000198 0.000206 11H 1pz 0.000017 0.000008 -0.000000 -0.000006 0.000005 -0.000017 11H 1px 0.000002 0.000007 -0.000003 -0.000006 0.000000 -0.000017 11H 1py 0.000007 -0.000011 -0.000002 0.000005 -0.000000 0.000008 12H 1s 0.000020 0.000008 -0.000000 -0.000005 -0.000012 0.000001 12H 2s -0.000131 0.000030 -0.000001 0.000058 0.000075 -0.000153 12H 3s -0.000377 -0.000281 0.000031 -0.000181 -0.000316 0.000211 12H 1pz 0.000004 -0.000013 0.000011 0.000000 -0.000003 0.000003 12H 1px -0.000000 0.000005 -0.000002 0.000003 0.000001 -0.000014 12H 1py 0.000015 0.000011 0.000004 0.000007 0.000014 -0.000023 13H 1s -0.000000 0.000001 0.000019 0.000011 -0.000014 -0.000004 13H 2s 0.000099 -0.000037 0.000009 -0.000014 0.000196 0.000219 13H 3s -0.000104 0.000106 -0.000378 -0.000298 -0.000212 -0.000261 13H 1pz 0.000011 -0.000004 0.000025 0.000002 0.000018 0.000023 13H 1px -0.000012 0.000005 -0.000023 -0.000011 -0.000016 -0.000016 13H 1py -0.000011 0.000003 -0.000012 0.000008 -0.000005 -0.000018 14H 1s -0.000003 -0.000004 0.000015 -0.000008 -0.000016 0.000008 14H 2s 0.000006 0.000062 -0.000031 -0.000037 0.000172 -0.000196 14H 3s -0.000036 -0.000102 -0.000345 0.000332 -0.000175 0.000133 14H 1pz 0.000004 0.000003 0.000017 -0.000008 0.000013 -0.000011 14H 1px 0.000003 0.000006 0.000020 -0.000012 0.000014 -0.000024 14H 1py 0.000007 -0.000000 -0.000002 -0.000009 0.000006 0.000002 15H 1s -0.000011 0.000001 0.000011 -0.000004 -0.000021 0.000003 15H 2s 0.000064 -0.000037 -0.000063 -0.000042 0.000106 -0.000106 15H 3s 0.000209 0.000134 -0.000172 0.000213 -0.000091 0.000047 15H 1pz 0.000006 0.000004 0.000001 0.000012 -0.000004 0.000009 15H 1px 0.000003 -0.000001 0.000006 0.000004 -0.000000 -0.000005 15H 1py -0.000011 0.000006 -0.000019 0.000008 -0.000009 0.000012 16H 1s 0.000005 -0.000017 -0.000008 -0.000005 -0.000256 -0.000193 16H 2s 0.000217 -0.000116 0.000055 0.000039 0.001487 0.000560 16H 3s -0.001030 0.000552 -0.000313 -0.000225 -0.000141 -0.000077 16H 1pz 0.000011 -0.000025 -0.000001 0.000005 0.000206 0.000086 16H 1px 0.000103 -0.000054 0.000034 0.000019 -0.000125 -0.000051 16H 1py 0.000039 -0.000033 0.000010 0.000004 -0.000011 0.000005 17H 1s 0.000015 -0.000013 -0.000005 -0.000014 -0.000250 -0.000188 17H 2s -0.000014 0.000027 -0.000270 -0.000188 0.001413 0.000503 17H 3s 0.000109 -0.000137 0.000979 0.000540 -0.000219 -0.000177 17H 1pz 0.000003 -0.000009 0.000073 0.000058 -0.000077 -0.000032 17H 1px -0.000022 0.000011 -0.000074 -0.000025 -0.000226 -0.000086 17H 1py 0.000001 -0.000003 -0.000047 -0.000043 0.000009 0.000012 18H 1s -0.000015 -0.000012 0.000006 -0.000014 -0.000251 0.000188 18H 2s 0.000014 0.000027 0.000261 -0.000182 0.001417 -0.000502 18H 3s -0.000137 -0.000150 -0.000978 0.000536 -0.000219 0.000177 18H 1pz 0.000004 0.000010 0.000073 -0.000058 0.000078 -0.000032 18H 1px -0.000025 -0.000012 -0.000075 0.000026 0.000227 -0.000085 18H 1py 0.000000 0.000003 -0.000046 0.000041 -0.000005 0.000010 19H 1s -0.000005 -0.000017 0.000008 -0.000005 -0.000257 0.000193 19H 2s -0.000225 -0.000114 -0.000059 0.000039 0.001494 -0.000561 19H 3s 0.001051 0.000528 0.000288 -0.000207 -0.000137 0.000075 19H 1pz 0.000011 0.000025 0.000001 -0.000006 -0.000207 0.000087 19H 1px 0.000104 0.000051 0.000031 -0.000017 0.000127 -0.000051 19H 1py 0.000042 0.000033 0.000010 -0.000004 0.000007 0.000007 20H 1s 0.000011 0.000001 -0.000011 -0.000004 -0.000021 -0.000003 20H 2s -0.000063 -0.000036 0.000064 -0.000042 0.000108 0.000109 20H 3s -0.000209 0.000144 0.000173 0.000218 -0.000088 -0.000049 20H 1pz 0.000006 -0.000004 0.000001 -0.000012 0.000004 0.000009 20H 1px 0.000003 0.000001 0.000006 -0.000004 0.000000 -0.000005 20H 1py -0.000010 -0.000006 -0.000018 -0.000008 0.000009 0.000012 21H 1s 0.000003 -0.000005 -0.000015 -0.000008 -0.000016 -0.000008 21H 2s -0.000003 0.000062 0.000033 -0.000037 0.000172 0.000196 21H 3s 0.000031 -0.000102 0.000342 0.000334 -0.000171 -0.000133 21H 1pz 0.000003 -0.000004 0.000017 0.000008 -0.000013 -0.000011 21H 1px 0.000002 -0.000006 0.000019 0.000012 -0.000014 -0.000024 21H 1py 0.000007 0.000000 -0.000002 0.000009 -0.000006 0.000002 22H 1s 0.000000 0.000001 -0.000019 0.000011 -0.000014 0.000004 22H 2s -0.000098 -0.000033 -0.000009 -0.000015 0.000197 -0.000219 22H 3s 0.000102 0.000100 0.000378 -0.000295 -0.000212 0.000260 22H 1pz 0.000011 0.000004 0.000025 -0.000001 -0.000018 0.000023 22H 1px -0.000012 -0.000004 -0.000023 0.000011 0.000017 -0.000016 22H 1py -0.000011 -0.000003 -0.000012 -0.000008 0.000005 -0.000018 23H 1s -0.000020 0.000009 0.000000 -0.000005 -0.000012 -0.000001 23H 2s 0.000134 0.000028 -0.000002 0.000058 0.000073 0.000154 23H 3s 0.000366 -0.000292 -0.000035 -0.000180 -0.000313 -0.000214 23H 1pz 0.000004 0.000013 0.000011 0.000000 0.000003 0.000004 23H 1px -0.000001 -0.000005 -0.000002 -0.000003 -0.000000 -0.000014 23H 1py 0.000014 -0.000012 0.000005 -0.000007 -0.000014 -0.000023 24H 1s -0.000015 0.000007 -0.000004 0.000002 -0.000017 0.000000 24H 2s 0.000147 0.000034 0.000048 -0.000064 0.000046 0.000130 24H 3s 0.000300 -0.000181 0.000147 0.000152 -0.000195 -0.000209 24H 1pz 0.000016 -0.000008 0.000000 0.000006 -0.000005 -0.000017 24H 1px 0.000001 -0.000008 -0.000003 0.000006 -0.000000 -0.000017 24H 1py 0.000007 0.000011 -0.000002 -0.000005 0.000000 0.000008 25H 1s -0.000024 -0.000013 -0.000004 0.000004 -0.000006 0.000000 25H 2s -0.000070 -0.000005 0.000027 -0.000032 0.000146 -0.000213 25H 3s 0.000583 0.000380 0.000021 0.000055 -0.000363 0.000199 25H 1pz 0.000028 -0.000007 -0.000003 0.000006 -0.000013 0.000018 25H 1px -0.000039 -0.000015 -0.000001 -0.000004 0.000023 -0.000022 25H 1py 0.000011 -0.000005 0.000004 0.000003 -0.000006 0.000008 26O 1s -0.001229 0.001215 -0.000199 -0.000176 -0.000100 -0.000050 26O 2s -0.002837 0.002802 -0.000460 -0.000406 -0.000225 -0.000113 26O 3s 0.003303 -0.003198 0.000539 0.000476 0.000249 0.000117 26O 4s 0.006178 -0.006117 0.001054 0.000843 0.000409 -0.000021 26O 5s 0.000075 -0.002382 -0.000865 -0.000258 0.000072 0.001928 26O 1pz 0.002768 -0.002718 0.000266 0.000217 0.000266 0.000153 26O 1px 0.000296 -0.000482 -0.000077 -0.000046 -0.000434 -0.000324 26O 1py 0.001760 -0.001816 0.000585 0.000533 -0.000009 -0.000033 26O 2pz 0.002690 -0.002952 0.000103 0.000130 0.000557 0.000535 26O 2px 0.000722 -0.000236 -0.000020 -0.000083 -0.000245 -0.000548 26O 2py 0.001856 -0.001821 0.000851 0.000830 0.000249 0.000131 26O 3pz -0.000037 -0.000322 0.000316 -0.000071 -0.000173 0.000089 26O 3px -0.001164 0.000966 0.000381 0.000060 0.000019 -0.000450 26O 3py -0.000477 0.000221 -0.000516 -0.000191 0.000036 -0.000057 26O 1dz2 0.000177 -0.000157 -0.000002 0.000015 0.000018 0.000010 26O 1dxz 0.000052 -0.000080 0.000002 0.000009 -0.000041 -0.000009 26O 1dyz 0.000264 -0.000251 0.000060 0.000040 -0.000002 -0.000008 26O 1dx2y2 -0.000075 0.000080 -0.000022 -0.000017 0.000015 -0.000003 26O 1dxy 0.000046 -0.000056 0.000000 0.000011 -0.000019 -0.000012 26O 2dz2 0.000414 -0.000497 -0.000200 -0.000291 0.000290 0.000268 26O 2dxz 0.000313 -0.000252 -0.000118 -0.000147 -0.000220 -0.000350 26O 2dyz 0.000692 -0.000835 0.000240 0.000308 0.000162 0.000170 26O 2dx2y2 -0.000136 0.000109 -0.000288 -0.000288 -0.000152 -0.000026 26O 2dxy 0.000233 -0.000271 0.000022 -0.000033 -0.000255 -0.000237 26O 1f0 0.000023 -0.000032 -0.000077 -0.000081 0.000044 0.000043 26O 1f+1 0.000081 -0.000080 -0.000028 -0.000033 -0.000045 -0.000037 26O 1f-1 0.000160 -0.000167 0.000012 0.000005 0.000045 0.000052 26O 1f+2 -0.000071 0.000077 -0.000068 -0.000077 -0.000027 -0.000027 26O 1f-2 0.000082 -0.000070 -0.000004 -0.000012 -0.000063 -0.000063 26O 1f+3 0.000035 -0.000028 0.000001 0.000012 -0.000030 -0.000024 26O 1f-3 0.000020 -0.000029 0.000035 0.000036 0.000008 0.000019 27O 1s 0.000189 -0.000171 -0.001234 -0.001193 -0.000065 -0.000037 27O 2s 0.000438 -0.000394 -0.002840 -0.002743 -0.000155 -0.000092 27O 3s -0.000540 0.000452 0.003231 0.003032 0.000291 0.000193 27O 4s -0.000781 0.000834 0.006332 0.006231 -0.000040 -0.000247 27O 5s 0.000172 0.000313 0.000730 0.003257 -0.000568 0.000601 27O 1pz -0.000534 0.000502 0.001667 0.001602 0.000202 0.000165 27O 1px -0.000175 0.000176 0.000781 0.000923 -0.000440 -0.000354 27O 1py 0.000218 -0.000194 -0.002688 -0.002628 -0.000177 -0.000143 27O 2pz -0.000772 0.000776 0.001541 0.001783 0.000220 0.000309 27O 2px -0.000312 0.000150 0.001124 0.000625 -0.000188 -0.000399 27O 2py 0.000031 -0.000030 -0.002722 -0.002863 -0.000291 -0.000343 27O 3pz 0.000481 -0.000018 0.000482 0.000419 0.000131 -0.000090 27O 3px -0.000347 0.000186 -0.001125 -0.001198 0.000822 0.000066 27O 3py 0.000877 -0.000320 -0.000017 -0.000163 -0.000258 0.000108 27O 1dz2 -0.000025 0.000001 -0.000033 -0.000027 -0.000004 0.000002 27O 1dxz -0.000014 0.000015 0.000064 0.000072 -0.000026 -0.000005 27O 1dyz 0.000049 -0.000036 -0.000234 -0.000210 -0.000032 -0.000022 27O 1dx2y2 0.000001 -0.000015 -0.000166 -0.000149 -0.000000 -0.000008 27O 1dxy 0.000021 -0.000011 -0.000113 -0.000123 0.000030 0.000008 27O 2dz2 -0.000233 0.000333 -0.000243 -0.000314 0.000200 0.000142 27O 2dxz -0.000217 0.000200 0.000296 0.000290 -0.000081 -0.000167 27O 2dyz 0.000255 -0.000298 -0.000641 -0.000772 -0.000124 -0.000170 27O 2dx2y2 -0.000094 0.000189 -0.000331 -0.000361 -0.000368 -0.000279 27O 2dxy 0.000024 -0.000079 -0.000565 -0.000602 0.000277 0.000338 27O 1f0 -0.000001 -0.000000 -0.000098 -0.000092 0.000001 -0.000005 27O 1f+1 -0.000037 0.000041 0.000022 0.000029 0.000002 0.000010 27O 1f-1 0.000084 -0.000098 -0.000015 -0.000021 -0.000027 -0.000030 27O 1f+2 0.000015 -0.000008 -0.000104 -0.000115 -0.000054 -0.000056 27O 1f-2 0.000047 -0.000053 -0.000110 -0.000107 0.000034 0.000031 27O 1f+3 -0.000003 -0.000005 0.000118 0.000115 -0.000048 -0.000033 27O 1f-3 -0.000037 0.000030 -0.000035 -0.000054 -0.000058 -0.000060 28O 1s -0.001226 -0.001150 -0.000193 0.000167 -0.000069 0.000038 28O 2s -0.002830 -0.002654 -0.000441 0.000382 -0.000157 0.000087 28O 3s 0.003266 0.003036 0.000450 -0.000420 0.000221 -0.000119 28O 4s 0.006275 0.005687 0.001209 -0.000835 0.000053 0.000186 28O 5s 0.000188 0.003033 0.000054 -0.000561 0.000485 -0.001963 28O 1pz 0.002627 0.002554 0.000224 -0.000199 -0.000084 0.000072 28O 1px 0.000749 0.000540 0.000010 0.000033 0.000451 -0.000320 28O 1py 0.001844 0.001737 0.000577 -0.000509 0.000124 -0.000076 28O 2pz 0.002685 0.002549 0.000145 -0.000131 0.000156 -0.000078 28O 2px 0.000435 0.000866 -0.000120 0.000115 0.000410 -0.000625 28O 2py 0.001751 0.001836 0.000826 -0.000794 0.000289 -0.000322 28O 3pz -0.000364 -0.000062 -0.000216 0.000204 0.000671 -0.000103 28O 3px 0.001080 0.001126 0.000605 -0.000359 -0.000139 -0.000371 28O 3py 0.000149 0.000316 -0.000713 0.000119 0.000216 -0.000199 28O 1dz2 0.000157 0.000154 0.000004 -0.000018 -0.000031 0.000010 28O 1dxz 0.000090 0.000065 0.000004 -0.000009 0.000019 -0.000011 28O 1dyz 0.000262 0.000236 0.000051 -0.000037 -0.000010 0.000010 28O 1dx2y2 -0.000078 -0.000080 -0.000034 0.000014 0.000021 -0.000002 28O 1dxy 0.000071 0.000047 0.000016 -0.000000 0.000029 -0.000004 28O 2dz2 0.000549 0.000565 -0.000224 0.000283 -0.000072 0.000139 28O 2dxz 0.000044 0.000092 -0.000140 0.000161 0.000394 -0.000370 28O 2dyz 0.000712 0.000821 0.000280 -0.000309 0.000128 -0.000137 28O 2dx2y2 -0.000125 -0.000106 -0.000197 0.000285 -0.000113 0.000006 28O 2dxy 0.000079 0.000155 -0.000047 -0.000021 0.000228 -0.000326 28O 1f0 0.000066 0.000060 -0.000067 0.000080 -0.000042 0.000036 28O 1f+1 0.000049 0.000061 -0.000031 0.000029 0.000043 -0.000050 28O 1f-1 0.000170 0.000160 0.000009 -0.000007 -0.000004 -0.000003 28O 1f+2 -0.000100 -0.000099 -0.000075 0.000078 0.000007 0.000005 28O 1f-2 0.000041 0.000053 -0.000006 0.000016 0.000073 -0.000076 28O 1f+3 -0.000002 0.000003 0.000002 -0.000004 0.000038 -0.000032 28O 1f-3 0.000012 0.000017 0.000036 -0.000031 -0.000007 0.000008 29O 1s -0.000018 0.000023 0.000008 0.000013 0.000443 0.000470 29O 2s -0.000043 0.000054 0.000021 0.000031 0.001006 0.001054 29O 3s 0.000063 -0.000074 -0.000040 -0.000057 -0.000939 -0.000826 29O 4s 0.000043 -0.000048 -0.000008 0.000012 -0.001940 -0.003211 29O 5s -0.000044 -0.000061 0.000086 -0.000031 -0.003140 0.000268 29O 1pz -0.000059 0.000061 -0.000066 -0.000073 -0.000316 -0.000332 29O 1px -0.000029 0.000049 -0.000023 -0.000012 0.000951 0.001003 29O 1py -0.000061 0.000069 0.000074 0.000076 0.000202 0.000227 29O 2pz -0.000091 0.000082 -0.000147 -0.000118 -0.000442 -0.000505 29O 2px -0.000173 0.000136 0.000037 0.000024 0.001402 0.001562 29O 2py -0.000226 0.000194 0.000245 0.000206 0.000622 0.000527 29O 3pz 0.000057 0.000020 0.000215 0.000070 -0.000161 0.000197 29O 3px 0.000334 -0.000120 -0.000171 -0.000056 0.001079 -0.000230 29O 3py 0.000322 -0.000134 -0.000356 -0.000196 0.001169 0.000297 29O 1dz2 0.000002 -0.000002 0.000007 0.000005 0.000012 0.000029 29O 1dxz -0.000011 0.000008 -0.000005 -0.000003 0.000011 0.000044 29O 1dyz -0.000003 0.000002 -0.000007 -0.000004 -0.000002 0.000005 29O 1dx2y2 0.000003 -0.000004 -0.000011 -0.000008 0.000001 -0.000055 29O 1dxy -0.000008 0.000006 0.000006 0.000004 -0.000001 -0.000016 29O 2dz2 -0.000092 0.000100 -0.000087 -0.000072 0.000162 0.000131 29O 2dxz 0.000146 -0.000134 0.000115 0.000113 0.000355 0.000246 29O 2dyz -0.000001 0.000008 0.000086 0.000072 0.000083 0.000061 29O 2dx2y2 0.000003 -0.000012 0.000123 0.000104 -0.000681 -0.000448 29O 2dxy 0.000156 -0.000152 -0.000133 -0.000136 -0.000182 -0.000155 29O 1f0 0.000014 -0.000012 0.000008 0.000008 0.000073 0.000057 29O 1f+1 0.000019 -0.000022 0.000021 0.000021 -0.000034 -0.000029 29O 1f-1 0.000010 -0.000010 0.000007 0.000005 0.000052 0.000034 29O 1f+2 -0.000022 0.000022 -0.000001 -0.000004 -0.000078 -0.000063 29O 1f-2 -0.000001 -0.000001 -0.000031 -0.000028 0.000014 0.000005 29O 1f+3 -0.000008 0.000005 0.000024 0.000023 -0.000101 -0.000077 29O 1f-3 0.000038 -0.000035 -0.000022 -0.000022 -0.000036 -0.000032 30O 1s 0.000195 0.000164 -0.001254 0.001202 -0.000102 0.000051 30O 2s 0.000451 0.000377 -0.002888 0.002764 -0.000239 0.000121 30O 3s -0.000534 -0.000413 0.003308 -0.003069 0.000366 -0.000201 30O 4s -0.000864 -0.000871 0.006396 -0.006268 0.000238 0.000058 30O 5s -0.001008 -0.000906 0.000396 -0.002336 -0.001195 -0.000461 30O 1pz -0.000535 -0.000487 0.001554 -0.001577 -0.000053 0.000061 30O 1px -0.000238 -0.000190 0.001236 -0.001052 0.000551 -0.000433 30O 1py 0.000215 0.000181 -0.002653 0.002627 -0.000066 0.000027 30O 2pz -0.000784 -0.000666 0.001677 -0.001569 0.000192 -0.000001 30O 2px -0.000282 -0.000332 0.000863 -0.001401 0.000347 -0.000608 30O 2py -0.000005 -0.000045 -0.002838 0.002767 -0.000362 0.000171 30O 3pz 0.000872 0.000167 -0.000344 0.000255 0.000086 0.000034 30O 3px -0.000406 -0.000362 0.001147 -0.001005 -0.000642 0.000158 30O 3py 0.000303 0.000064 0.000506 -0.000160 -0.000171 -0.000027 30O 1dz2 -0.000019 -0.000006 -0.000050 0.000031 -0.000027 0.000012 30O 1dxz -0.000035 -0.000010 0.000080 -0.000073 0.000008 -0.000011 30O 1dyz 0.000048 0.000030 -0.000220 0.000211 -0.000010 0.000009 30O 1dx2y2 0.000003 0.000015 -0.000141 0.000146 0.000035 -0.000010 30O 1dxy 0.000017 0.000019 -0.000159 0.000129 -0.000034 0.000022 30O 2dz2 -0.000266 -0.000311 -0.000138 0.000214 -0.000048 0.000121 30O 2dxz -0.000088 -0.000182 0.000160 -0.000149 0.000299 -0.000214 30O 2dyz 0.000286 0.000338 -0.000754 0.000864 0.000177 -0.000158 30O 2dx2y2 -0.000135 -0.000181 -0.000520 0.000523 0.000015 -0.000156 30O 2dxy 0.000023 -0.000020 -0.000274 0.000346 -0.000410 0.000378 30O 1f0 -0.000004 -0.000005 -0.000080 0.000075 -0.000017 0.000012 30O 1f+1 -0.000042 -0.000036 0.000003 -0.000009 -0.000008 0.000009 30O 1f-1 0.000090 0.000101 -0.000036 0.000030 0.000031 -0.000029 30O 1f+2 0.000023 0.000014 -0.000148 0.000137 0.000048 -0.000037 30O 1f-2 0.000048 0.000049 -0.000089 0.000102 -0.000039 0.000048 30O 1f+3 0.000010 0.000007 0.000081 -0.000094 0.000053 -0.000051 30O 1f-3 -0.000023 -0.000025 -0.000073 0.000068 0.000059 -0.000048 31O 1s -0.000192 0.000170 0.001249 0.001207 -0.000102 -0.000051 31O 2s -0.000443 0.000392 0.002877 0.002777 -0.000238 -0.000121 31O 3s 0.000526 -0.000431 -0.003296 -0.003084 0.000362 0.000200 31O 4s 0.000847 -0.000900 -0.006369 -0.006294 0.000246 -0.000054 31O 5s 0.000973 -0.000930 -0.000354 -0.002318 -0.001153 0.000476 31O 1pz -0.000524 0.000502 0.001547 0.001583 0.000053 0.000061 31O 1px -0.000234 0.000198 0.001232 0.001058 -0.000550 -0.000434 31O 1py 0.000213 -0.000190 -0.002643 -0.002639 0.000066 0.000027 31O 2pz -0.000769 0.000689 0.001670 0.001575 -0.000189 -0.000000 31O 2px -0.000274 0.000340 0.000855 0.001403 -0.000351 -0.000611 31O 2py -0.000001 0.000040 -0.002831 -0.002782 0.000358 0.000171 31O 3pz 0.000867 -0.000190 -0.000333 -0.000248 -0.000070 0.000041 31O 3px -0.000395 0.000372 0.001127 0.001001 0.000622 0.000151 31O 3py 0.000303 -0.000071 0.000499 0.000154 0.000154 -0.000035 31O 1dz2 0.000019 -0.000007 0.000050 0.000031 -0.000027 -0.000012 31O 1dxz 0.000035 -0.000011 -0.000080 -0.000073 0.000008 0.000011 31O 1dyz -0.000047 0.000032 0.000220 0.000212 -0.000010 -0.000009 31O 1dx2y2 -0.000003 0.000015 0.000141 0.000147 0.000034 0.000010 31O 1dxy -0.000017 0.000020 0.000159 0.000129 -0.000034 -0.000022 31O 2dz2 0.000258 -0.000318 0.000138 0.000216 -0.000048 -0.000121 31O 2dxz 0.000084 -0.000184 -0.000160 -0.000150 0.000296 0.000214 31O 2dyz -0.000278 0.000347 0.000748 0.000866 0.000175 0.000158 31O 2dx2y2 0.000130 -0.000184 0.000520 0.000526 0.000015 0.000156 31O 2dxy -0.000024 -0.000019 0.000274 0.000348 -0.000407 -0.000378 31O 1f0 -0.000004 0.000005 -0.000079 -0.000076 0.000016 0.000012 31O 1f+1 -0.000041 0.000038 0.000003 0.000009 0.000008 0.000009 31O 1f-1 0.000088 -0.000103 -0.000036 -0.000030 -0.000031 -0.000030 31O 1f+2 0.000023 -0.000015 -0.000147 -0.000138 -0.000048 -0.000037 31O 1f-2 0.000047 -0.000050 -0.000089 -0.000103 0.000039 0.000048 31O 1f+3 0.000010 -0.000007 0.000080 0.000095 -0.000053 -0.000051 31O 1f-3 -0.000023 0.000026 -0.000072 -0.000068 -0.000059 -0.000048 32O 1s 0.000018 0.000022 -0.000008 0.000013 0.000444 -0.000469 32O 2s 0.000043 0.000052 -0.000021 0.000031 0.001009 -0.001053 32O 3s -0.000063 -0.000071 0.000042 -0.000058 -0.000941 0.000826 32O 4s -0.000045 -0.000046 0.000003 0.000016 -0.001947 0.003207 32O 5s 0.000051 -0.000059 -0.000065 -0.000042 -0.003149 -0.000266 32O 1pz -0.000061 -0.000060 -0.000067 0.000072 0.000318 -0.000333 32O 1px -0.000030 -0.000048 -0.000023 0.000012 -0.000954 0.001001 32O 1py -0.000063 -0.000067 0.000074 -0.000076 -0.000204 0.000228 32O 2pz -0.000092 -0.000079 -0.000149 0.000119 0.000451 -0.000510 32O 2px -0.000174 -0.000129 0.000037 -0.000023 -0.001403 0.001557 32O 2py -0.000228 -0.000186 0.000251 -0.000208 -0.000626 0.000528 32O 3pz 0.000052 -0.000023 0.000223 -0.000074 0.000177 0.000193 32O 3px 0.000330 0.000106 -0.000175 0.000059 -0.001071 -0.000234 32O 3py 0.000323 0.000123 -0.000357 0.000194 -0.001177 0.000299 32O 1dz2 -0.000003 -0.000002 -0.000007 0.000005 0.000012 -0.000029 32O 1dxz 0.000011 0.000008 0.000004 -0.000002 0.000011 -0.000044 32O 1dyz 0.000003 0.000002 0.000007 -0.000004 -0.000001 -0.000005 32O 1dx2y2 -0.000003 -0.000003 0.000011 -0.000008 0.000001 0.000055 32O 1dxy 0.000008 0.000006 -0.000006 0.000004 -0.000001 0.000016 32O 2dz2 0.000096 0.000098 0.000089 -0.000072 0.000162 -0.000130 32O 2dxz -0.000149 -0.000130 -0.000113 0.000112 0.000355 -0.000246 32O 2dyz -0.000000 0.000007 -0.000086 0.000072 0.000076 -0.000057 32O 2dx2y2 -0.000003 -0.000012 -0.000123 0.000103 -0.000682 0.000446 32O 2dxy -0.000161 -0.000148 0.000132 -0.000134 -0.000186 0.000156 32O 1f0 0.000014 0.000011 0.000008 -0.000007 -0.000070 0.000055 32O 1f+1 0.000019 0.000021 0.000022 -0.000022 0.000036 -0.000030 32O 1f-1 0.000011 0.000010 0.000008 -0.000005 -0.000053 0.000034 32O 1f+2 -0.000022 -0.000021 -0.000001 0.000004 0.000080 -0.000065 32O 1f-2 -0.000001 0.000001 -0.000031 0.000028 -0.000014 0.000005 32O 1f+3 -0.000009 -0.000006 0.000024 -0.000023 0.000101 -0.000076 32O 1f-3 0.000038 0.000034 -0.000022 0.000022 0.000037 -0.000032 33O 1s 0.001196 -0.001181 0.000193 0.000168 -0.000069 -0.000038 33O 2s 0.002759 -0.002724 0.000441 0.000385 -0.000158 -0.000088 33O 3s -0.003186 0.003117 -0.000451 -0.000423 0.000220 0.000120 33O 4s -0.006125 0.005842 -0.001208 -0.000842 0.000057 -0.000185 33O 5s -0.000096 0.003028 -0.000077 -0.000555 0.000490 0.001963 33O 1pz 0.002559 -0.002619 0.000226 0.000201 0.000083 0.000071 33O 1px 0.000734 -0.000559 0.000010 -0.000032 -0.000450 -0.000321 33O 1py 0.001798 -0.001783 0.000576 0.000512 -0.000124 -0.000077 33O 2pz 0.002618 -0.002617 0.000144 0.000132 -0.000154 -0.000079 33O 2px 0.000411 -0.000876 -0.000116 -0.000115 -0.000409 -0.000626 33O 2py 0.001704 -0.001879 0.000824 0.000798 -0.000288 -0.000322 33O 3pz -0.000356 0.000065 -0.000210 -0.000198 -0.000665 -0.000104 33O 3px 0.001045 -0.001150 0.000608 0.000358 0.000132 -0.000372 33O 3py 0.000140 -0.000321 -0.000711 -0.000121 -0.000214 -0.000198 33O 1dz2 -0.000153 0.000158 -0.000004 -0.000018 -0.000031 -0.000010 33O 1dxz -0.000088 0.000067 -0.000004 -0.000009 0.000019 0.000011 33O 1dyz -0.000256 0.000243 -0.000051 -0.000037 -0.000010 -0.000010 33O 1dx2y2 0.000075 -0.000082 0.000034 0.000014 0.000021 0.000002 33O 1dxy -0.000070 0.000049 -0.000016 -0.000000 0.000029 0.000004 33O 2dz2 -0.000534 0.000579 0.000222 0.000284 -0.000071 -0.000140 33O 2dxz -0.000042 0.000093 0.000140 0.000161 0.000392 0.000371 33O 2dyz -0.000690 0.000839 -0.000279 -0.000310 0.000127 0.000137 33O 2dx2y2 0.000122 -0.000109 0.000196 0.000285 -0.000112 -0.000006 33O 2dxy -0.000075 0.000157 0.000048 -0.000021 0.000227 0.000326 33O 1f0 0.000065 -0.000061 -0.000067 -0.000080 0.000041 0.000037 33O 1f+1 0.000048 -0.000062 -0.000031 -0.000029 -0.000043 -0.000050 33O 1f-1 0.000166 -0.000165 0.000009 0.000007 0.000004 -0.000003 33O 1f+2 -0.000098 0.000102 -0.000075 -0.000079 -0.000007 0.000005 33O 1f-2 0.000040 -0.000054 -0.000006 -0.000016 -0.000073 -0.000076 33O 1f+3 -0.000002 -0.000003 0.000002 0.000004 -0.000038 -0.000032 33O 1f-3 0.000012 -0.000017 0.000036 0.000031 0.000007 0.000008 34O 1s -0.000193 -0.000165 0.001239 -0.001188 -0.000065 0.000037 34O 2s -0.000447 -0.000380 0.002852 -0.002731 -0.000156 0.000092 34O 3s 0.000549 0.000435 -0.003244 0.003019 0.000291 -0.000192 34O 4s 0.000803 0.000808 -0.006359 0.006205 -0.000035 0.000247 34O 5s -0.000177 0.000324 -0.000729 0.003251 -0.000561 -0.000599 34O 1pz -0.000546 -0.000486 0.001674 -0.001595 -0.000202 0.000165 34O 1px -0.000179 -0.000171 0.000786 -0.000920 0.000441 -0.000353 34O 1py 0.000222 0.000186 -0.002699 0.002617 0.000178 -0.000143 34O 2pz -0.000792 -0.000754 0.001548 -0.001776 -0.000220 0.000308 34O 2px -0.000317 -0.000141 0.001127 -0.000621 0.000191 -0.000398 34O 2py 0.000031 0.000027 -0.002735 0.002852 0.000290 -0.000343 34O 3pz 0.000487 0.000008 0.000485 -0.000420 -0.000131 -0.000092 34O 3px -0.000348 -0.000171 -0.001120 0.001186 -0.000812 0.000061 34O 3py 0.000879 0.000294 -0.000016 0.000166 0.000254 0.000114 34O 1dz2 0.000025 0.000000 0.000033 -0.000026 -0.000004 -0.000002 34O 1dxz 0.000014 0.000014 -0.000064 0.000072 -0.000026 0.000005 34O 1dyz -0.000050 -0.000035 0.000235 -0.000209 -0.000032 0.000022 34O 1dx2y2 -0.000002 -0.000015 0.000167 -0.000148 -0.000001 0.000008 34O 1dxy -0.000021 -0.000010 0.000113 -0.000123 0.000030 -0.000008 34O 2dz2 0.000241 0.000327 0.000244 -0.000313 0.000200 -0.000141 34O 2dxz 0.000222 0.000194 -0.000298 0.000289 -0.000081 0.000167 34O 2dyz -0.000263 -0.000291 0.000644 -0.000769 -0.000123 0.000170 34O 2dx2y2 0.000098 0.000187 0.000333 -0.000360 -0.000368 0.000278 34O 2dxy -0.000026 -0.000078 0.000568 -0.000600 0.000277 -0.000338 34O 1f0 -0.000001 0.000000 -0.000098 0.000091 -0.000001 -0.000005 34O 1f+1 -0.000038 -0.000040 0.000022 -0.000029 -0.000002 0.000010 34O 1f-1 0.000087 0.000096 -0.000015 0.000021 0.000028 -0.000029 34O 1f+2 0.000015 0.000008 -0.000105 0.000115 0.000054 -0.000056 34O 1f-2 0.000048 0.000052 -0.000111 0.000106 -0.000035 0.000031 34O 1f+3 -0.000003 0.000005 0.000119 -0.000115 0.000048 -0.000033 34O 1f-3 -0.000037 -0.000030 -0.000035 0.000054 0.000058 -0.000060 35O 1s 0.001261 0.001184 0.000199 -0.000174 -0.000100 0.000050 35O 2s 0.002910 0.002731 0.000458 -0.000402 -0.000225 0.000113 35O 3s -0.003387 -0.003115 -0.000537 0.000471 0.000247 -0.000116 35O 4s -0.006335 -0.005960 -0.001049 0.000835 0.000414 0.000019 35O 5s -0.000118 -0.002373 0.000848 -0.000254 0.000114 -0.001938 35O 1pz 0.002838 0.002647 0.000264 -0.000213 -0.000266 0.000152 35O 1px 0.000308 0.000473 -0.000078 0.000046 0.000435 -0.000323 35O 1py 0.001809 0.001773 0.000585 -0.000530 0.000009 -0.000033 35O 2pz 0.002766 0.002883 0.000098 -0.000126 -0.000558 0.000535 35O 2px 0.000728 0.000217 -0.000023 0.000085 0.000251 -0.000549 35O 2py 0.001907 0.001775 0.000852 -0.000825 -0.000247 0.000130 35O 3pz -0.000030 0.000325 0.000318 0.000070 0.000174 0.000085 35O 3px -0.001176 -0.000929 0.000376 -0.000059 0.000002 -0.000460 35O 3py -0.000482 -0.000206 -0.000520 0.000187 -0.000028 -0.000064 35O 1dz2 -0.000181 -0.000152 0.000002 0.000015 0.000018 -0.000010 35O 1dxz -0.000054 -0.000079 -0.000002 0.000009 -0.000041 0.000009 35O 1dyz -0.000271 -0.000244 -0.000060 0.000039 -0.000002 0.000008 35O 1dx2y2 0.000077 0.000079 0.000022 -0.000017 0.000015 0.000003 35O 1dxy -0.000047 -0.000054 -0.000000 0.000011 -0.000019 0.000012 35O 2dz2 -0.000427 -0.000487 0.000203 -0.000291 0.000289 -0.000267 35O 2dxz -0.000319 -0.000243 0.000119 -0.000147 -0.000220 0.000350 35O 2dyz -0.000714 -0.000818 -0.000240 0.000307 0.000163 -0.000170 35O 2dx2y2 0.000141 0.000108 0.000289 -0.000287 -0.000150 0.000025 35O 2dxy -0.000240 -0.000265 -0.000022 -0.000033 -0.000253 0.000236 35O 1f0 0.000024 0.000032 -0.000078 0.000080 -0.000045 0.000043 35O 1f+1 0.000083 0.000078 -0.000028 0.000033 0.000045 -0.000037 35O 1f-1 0.000165 0.000163 0.000011 -0.000005 -0.000045 0.000052 35O 1f+2 -0.000074 -0.000076 -0.000068 0.000077 0.000027 -0.000027 35O 1f-2 0.000083 0.000068 -0.000004 0.000013 0.000063 -0.000063 35O 1f+3 0.000036 0.000027 0.000001 -0.000012 0.000030 -0.000024 35O 1f-3 0.000021 0.000029 0.000035 -0.000036 -0.000009 0.000019 54 55 56 57 58 59 -1.05721 -1.05240 -1.05177 -1.05131 -1.00418 -1.00412 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s -0.001704 0.000004 -0.000164 0.000008 -0.000641 -0.000182 0Rh 2s 0.006580 -0.000021 0.000634 -0.000037 0.002327 0.000781 0Rh 3s -0.005718 0.000012 -0.000552 0.000025 -0.002245 -0.000560 0Rh 4s -0.026826 0.000089 -0.002580 0.000152 -0.009426 -0.003242 0Rh 5s 0.020080 -0.000101 0.001900 -0.000146 0.005951 0.003020 0Rh 6s 0.034696 -0.000010 0.003401 -0.000096 0.015948 0.002189 0Rh 7s -0.025353 0.000164 -0.001952 0.000019 -0.022987 0.001257 0Rh 8s -0.004424 -0.001061 -0.000889 -0.000319 -0.007649 0.003599 0Rh 1pz 0.000433 0.006383 -0.000191 -0.004031 -0.001251 -0.000434 0Rh 1px -0.001815 0.001182 -0.000258 -0.002467 0.003664 0.001189 0Rh 1py -0.000425 0.004485 -0.000063 0.006378 0.000411 0.000040 0Rh 2pz -0.001451 -0.021284 0.000636 0.013441 0.004166 0.001437 0Rh 2px 0.006077 -0.003941 0.000861 0.008224 -0.012208 -0.003938 0Rh 2py 0.001423 -0.014956 0.000212 -0.021267 -0.001367 -0.000129 0Rh 3pz 0.001224 0.015798 -0.000439 -0.009981 -0.003002 -0.000901 0Rh 3px -0.005008 0.002928 -0.000676 -0.006100 0.008850 0.002425 0Rh 3py -0.001161 0.011112 -0.000161 0.015792 0.000974 0.000020 0Rh 4pz 0.001143 0.025014 -0.000865 -0.015738 -0.005189 -0.002211 0Rh 4px -0.005246 0.004622 -0.000856 -0.009661 0.015018 0.006184 0Rh 4py -0.001290 0.017564 -0.000229 0.024943 0.001762 0.000378 0Rh 5pz 0.001116 0.001116 0.000161 -0.000819 0.000018 0.000328 0Rh 5px -0.003753 0.000199 -0.000402 -0.000446 0.000123 -0.000996 0Rh 5py -0.000708 0.000811 -0.000067 0.001239 -0.000357 -0.000187 0Rh 6pz -0.004103 0.002630 -0.000875 -0.001328 -0.003116 0.004563 0Rh 6px 0.010798 0.000411 0.001505 -0.001426 0.012596 -0.013523 0Rh 6py 0.001282 0.001151 -0.000004 0.001966 0.008216 -0.000504 0Rh 1dz2 0.001562 0.000558 -0.002563 -0.000389 -0.000946 -0.000515 0Rh 1dxz 0.001746 -0.001193 0.000470 0.000628 -0.001538 -0.000777 0Rh 1dyz 0.000972 -0.000298 -0.006494 0.000663 -0.000155 -0.000111 0Rh 1dx2y2 -0.002563 -0.000134 -0.001249 0.000727 0.002235 0.001144 0Rh 1dxy -0.000771 -0.001073 -0.002650 -0.001097 0.000468 0.000309 0Rh 2dz2 -0.000042 0.000002 0.000029 -0.000003 -0.000061 0.000003 0Rh 2dxz -0.000042 -0.000003 -0.000002 0.000001 -0.000083 0.000001 0Rh 2dyz -0.000023 0.000009 0.000091 0.000003 -0.000006 0.000004 0Rh 2dx2y2 0.000058 0.000004 0.000025 0.000008 0.000125 -0.000001 0Rh 2dxy 0.000013 -0.000003 0.000039 -0.000012 0.000024 -0.000014 0Rh 3dz2 -0.001847 -0.000734 0.003216 0.000514 0.001481 0.000663 0Rh 3dxz -0.002082 0.001565 -0.000602 -0.000822 0.002362 0.001021 0Rh 3dyz -0.001162 0.000352 0.008081 -0.000868 0.000231 0.000130 0Rh 3dx2y2 0.003059 0.000159 0.001525 -0.000968 -0.003443 -0.001500 0Rh 3dxy 0.000939 0.001404 0.003289 0.001466 -0.000715 -0.000353 0Rh 4dz2 -0.003300 -0.001061 0.005180 0.000722 0.001021 0.001026 0Rh 4dxz -0.003650 0.002267 -0.000908 -0.001188 0.001813 0.001495 0Rh 4dyz -0.002059 0.000667 0.013261 -0.001251 0.000208 0.000266 0Rh 4dx2y2 0.005342 0.000305 0.002608 -0.001330 -0.002603 -0.002216 0Rh 4dxy 0.001546 0.002051 0.005438 0.001986 -0.000526 -0.000745 0Rh 5dz2 -0.003107 -0.001255 0.004672 0.000926 0.004821 0.000276 0Rh 5dxz -0.003654 0.002570 -0.001031 -0.001410 0.007363 0.000691 0Rh 5dyz -0.001773 0.000293 0.011610 -0.001405 0.000646 -0.000082 0Rh 5dx2y2 0.005523 0.000134 0.002205 -0.001695 -0.010795 -0.000938 0Rh 5dxy 0.001865 0.002206 0.004700 0.002641 -0.002594 0.000235 0Rh 1f0 -0.000291 -0.000218 0.000202 -0.001276 -0.000492 -0.000206 0Rh 1f+1 0.000260 -0.000361 -0.000294 -0.000036 0.000349 0.000160 0Rh 1f-1 0.000049 -0.002057 0.000423 -0.000338 0.000055 0.000046 0Rh 1f+2 0.000327 0.001023 0.000205 -0.001443 0.000699 0.000307 0Rh 1f-2 0.000212 -0.000746 -0.000711 -0.001082 0.000175 0.000095 0Rh 1f+3 0.000439 -0.000333 0.000150 0.000972 0.000825 0.000357 0Rh 1f-3 0.000226 -0.000040 0.000453 -0.000343 0.000265 0.000136 1Rh 1s -0.001705 -0.000042 -0.000162 0.000004 0.000284 -0.000603 1Rh 2s 0.006581 0.000165 0.000624 -0.000010 -0.000938 0.002270 1Rh 3s -0.005719 -0.000137 -0.000543 0.000015 0.001051 -0.002063 1Rh 4s -0.026832 -0.000676 -0.002540 0.000037 0.003742 -0.009246 1Rh 5s 0.020085 0.000536 0.001869 0.000005 -0.001627 0.006474 1Rh 6s 0.034701 0.000779 0.003354 -0.000149 -0.008821 0.013489 1Rh 7s -0.025349 -0.000692 -0.001903 0.000137 0.016070 -0.016549 1Rh 8s -0.004438 0.000920 -0.000991 0.000374 0.007727 -0.003402 1Rh 1pz -0.000536 0.006368 -0.000479 -0.004025 -0.000490 0.001223 1Rh 1px 0.001789 0.001221 0.000071 -0.002479 0.001509 -0.003549 1Rh 1py 0.000387 0.004494 -0.000082 0.006376 0.000240 -0.000338 1Rh 2pz 0.001796 -0.021234 0.001599 0.013420 0.001637 -0.004070 1Rh 2px -0.005990 -0.004073 -0.000240 0.008265 -0.005046 0.011810 1Rh 2py -0.001295 -0.014985 0.000272 -0.021260 -0.000803 0.001123 1Rh 3pz -0.001481 0.015756 -0.001220 -0.009964 -0.001281 0.002847 1Rh 3px 0.004943 0.003036 0.000215 -0.006133 0.003982 -0.008280 1Rh 3py 0.001066 0.011135 -0.000199 0.015786 0.000626 -0.000752 1Rh 4pz -0.001545 0.024970 -0.001761 -0.015720 -0.001721 0.005333 1Rh 4px 0.005146 0.004738 0.000128 -0.009698 0.005197 -0.015405 1Rh 4py 0.001141 0.017591 -0.000340 0.024937 0.000877 -0.001584 1Rh 5pz -0.001141 0.001085 -0.000280 -0.000807 -0.000241 -0.000211 1Rh 5px 0.003745 0.000283 0.000368 -0.000472 0.000835 0.000555 1Rh 5py 0.000701 0.000826 0.000043 0.001234 -0.000094 0.000389 1Rh 6pz 0.004087 0.002763 0.000612 -0.001365 -0.005356 -0.000812 1Rh 6px -0.010797 0.000140 -0.001598 -0.001334 0.018485 -0.000607 1Rh 6py -0.001307 0.001153 -0.000003 0.001953 0.005761 -0.005812 1Rh 1dz2 0.001575 -0.000747 -0.002494 0.000476 0.000235 -0.001057 1Rh 1dxz 0.001728 0.001249 0.000347 -0.000649 0.000421 -0.001664 1Rh 1dyz 0.000972 -0.000222 -0.006520 -0.000433 0.000018 -0.000189 1Rh 1dx2y2 -0.002568 -0.000009 -0.001277 -0.000672 -0.000605 0.002441 1Rh 1dxy -0.000779 0.000842 -0.002689 0.001196 -0.000075 0.000559 1Rh 2dz2 -0.000042 -0.000000 0.000029 0.000002 0.000042 -0.000044 1Rh 2dxz -0.000042 0.000002 -0.000002 -0.000001 0.000055 -0.000063 1Rh 2dyz -0.000023 -0.000002 0.000092 -0.000006 0.000007 -0.000002 1Rh 2dx2y2 0.000058 -0.000002 0.000025 -0.000009 -0.000083 0.000094 1Rh 2dxy 0.000013 0.000006 0.000040 0.000010 -0.000026 0.000009 1Rh 3dz2 -0.001863 0.000972 0.003125 -0.000623 -0.000475 0.001560 1Rh 3dxz -0.002058 -0.001635 -0.000440 0.000847 -0.000776 0.002446 1Rh 3dyz -0.001163 0.000295 0.008113 0.000583 -0.000054 0.000258 1Rh 3dx2y2 0.003065 0.000015 0.001562 0.000900 0.001130 -0.003589 1Rh 3dxy 0.000950 -0.001117 0.003340 -0.001590 0.000204 -0.000775 1Rh 4dz2 -0.003324 0.001440 0.005049 -0.000896 0.000103 0.001453 1Rh 4dxz -0.003615 -0.002380 -0.000672 0.001229 -0.000061 0.002334 1Rh 4dyz -0.002061 0.000395 0.013316 0.000783 0.000064 0.000329 1Rh 4dx2y2 0.005352 -0.000009 0.002662 0.001215 0.000038 -0.003422 1Rh 4dxy 0.001561 -0.001578 0.005517 -0.002189 -0.000215 -0.000890 1Rh 5dz2 -0.003130 0.001590 0.004516 -0.001087 -0.002969 0.003839 1Rh 5dxz -0.003615 -0.002694 -0.000766 0.001453 -0.004295 0.006007 1Rh 5dyz -0.001774 0.000628 0.011643 0.000994 -0.000489 0.000432 1Rh 5dx2y2 0.005530 0.000135 0.002263 0.001592 0.006382 -0.008786 1Rh 5dxy 0.001882 -0.001791 0.004764 -0.002820 0.001880 -0.001818 1Rh 1f0 0.000291 -0.000231 -0.000230 -0.001269 -0.000167 0.000505 1Rh 1f+1 -0.000254 -0.000339 0.000322 -0.000047 0.000109 -0.000373 1Rh 1f-1 -0.000023 -0.002087 -0.000265 -0.000326 0.000001 -0.000073 1Rh 1f+2 -0.000345 0.000997 -0.000341 -0.001432 0.000226 -0.000726 1Rh 1f-2 -0.000206 -0.000690 0.000731 -0.001107 0.000043 -0.000193 1Rh 1f+3 -0.000431 -0.000350 -0.000087 0.000978 0.000273 -0.000859 1Rh 1f-3 -0.000227 -0.000082 -0.000459 -0.000325 0.000072 -0.000291 2C 1s 0.005056 -0.006836 -0.003973 0.000110 -0.000095 -0.000109 2C 2s 0.010529 -0.014246 -0.008276 0.000228 -0.000200 -0.000236 2C 3s -0.015645 0.021888 0.012444 -0.000343 0.000388 0.000742 2C 4s -0.011675 0.010345 0.007743 -0.000215 -0.000050 -0.001456 2C 5s 0.025446 -0.012869 0.011361 0.000756 0.002754 0.005135 2C 1pz -0.008143 0.010951 0.006315 -0.000181 0.000189 0.000190 2C 1px -0.001615 0.002131 0.001262 -0.000038 -0.000134 0.000078 2C 1py -0.005477 0.007372 0.004238 -0.000111 0.000072 0.000135 2C 2pz -0.002284 0.001258 0.001579 0.000230 0.000281 -0.000362 2C 2px -0.000329 0.000512 0.000040 0.000156 0.000100 -0.000353 2C 2py -0.001308 0.000463 0.000966 -0.000431 0.000150 -0.000253 2C 3pz 0.005370 -0.001771 0.003484 -0.000385 0.000647 0.000595 2C 3px -0.000047 -0.000661 0.001798 -0.000388 -0.000964 0.000386 2C 3py 0.003767 -0.001082 0.002138 0.000962 0.000187 0.000649 2C 1dz2 -0.000354 0.000422 0.000263 0.000014 0.000009 0.000007 2C 1dxz -0.000103 0.000122 0.000063 -0.000001 -0.000004 -0.000007 2C 1dyz -0.000609 0.000724 0.000472 -0.000023 0.000013 0.000002 2C 1dx2y2 0.000105 -0.000124 -0.000053 0.000015 -0.000005 0.000000 2C 1dxy -0.000138 0.000162 0.000118 0.000012 -0.000003 -0.000002 2C 2dz2 0.000050 -0.000480 -0.000189 0.000091 0.000124 -0.000132 2C 2dxz 0.000040 -0.000449 0.000125 0.000014 -0.000057 0.000057 2C 2dyz 0.000062 -0.000500 -0.000407 -0.000049 0.000083 -0.000265 2C 2dx2y2 -0.000290 0.000653 0.000104 0.000037 0.000021 -0.000076 2C 2dxy -0.000290 0.000341 0.000135 0.000026 -0.000074 -0.000076 2C 1f0 0.000064 -0.000111 -0.000063 0.000040 0.000013 -0.000005 2C 1f+1 0.000301 -0.000438 -0.000249 0.000032 0.000007 -0.000017 2C 1f-1 -0.000180 0.000095 0.000080 0.000000 -0.000011 -0.000040 2C 1f+2 -0.000072 0.000143 0.000083 0.000028 0.000005 0.000027 2C 1f-2 -0.000116 0.000118 0.000100 -0.000001 -0.000018 -0.000037 2C 1f+3 0.000065 -0.000133 -0.000075 -0.000005 0.000005 -0.000011 2C 1f-3 0.000273 -0.000371 -0.000233 -0.000007 0.000008 -0.000001 3C 1s 0.004102 0.000289 0.005290 0.006630 -0.000032 -0.000132 3C 2s 0.008539 0.000601 0.011018 0.013814 -0.000074 -0.000282 3C 3s -0.012765 -0.000852 -0.016719 -0.021464 0.000417 0.000689 3C 4s -0.009231 -0.000930 -0.009660 -0.008754 -0.001386 -0.000824 3C 5s 0.024600 0.001249 -0.003282 0.016005 0.001979 0.004566 3C 1pz -0.003943 -0.000264 -0.005011 -0.006366 0.000082 0.000093 3C 1px -0.002494 -0.000171 -0.003179 -0.003981 -0.000080 0.000176 3C 1py 0.006615 0.000464 0.008435 0.010608 -0.000099 -0.000207 3C 2pz -0.000883 -0.000606 -0.001054 0.000173 -0.000283 0.000021 3C 2px -0.000520 -0.000129 -0.000418 -0.000262 -0.000137 -0.000088 3C 2py 0.001519 -0.000019 0.001465 0.000514 0.000536 0.000197 3C 3pz 0.003891 0.001079 -0.000184 0.001151 0.000239 0.000290 3C 3px 0.001437 0.000058 -0.001341 0.001101 -0.000452 0.000831 3C 3py -0.005162 0.000416 0.001900 -0.002848 -0.000278 -0.000464 3C 1dz2 0.000114 -0.000019 0.000162 0.000160 -0.000002 -0.000005 3C 1dxz -0.000111 -0.000013 -0.000117 -0.000150 -0.000005 0.000008 3C 1dyz 0.000461 0.000039 0.000582 0.000644 0.000001 -0.000004 3C 1dx2y2 0.000246 0.000014 0.000282 0.000341 0.000011 -0.000005 3C 1dxy 0.000239 0.000020 0.000290 0.000331 -0.000000 -0.000009 3C 2dz2 0.000221 -0.000081 0.000095 0.000235 0.000073 0.000041 3C 2dxz 0.000128 -0.000049 0.000117 0.000463 -0.000118 0.000076 3C 2dyz -0.000137 0.000058 -0.000597 -0.000521 0.000208 0.000214 3C 2dx2y2 -0.000248 0.000000 -0.000390 -0.000998 0.000032 0.000066 3C 2dxy -0.000031 0.000053 -0.000161 -0.000522 0.000114 -0.000056 3C 1f0 0.000137 0.000015 0.000119 0.000103 0.000013 0.000018 3C 1f+1 0.000149 -0.000005 0.000192 0.000222 -0.000003 -0.000004 3C 1f-1 -0.000023 0.000038 -0.000052 -0.000048 0.000012 0.000009 3C 1f+2 0.000170 0.000022 0.000186 0.000190 0.000044 0.000032 3C 1f-2 -0.000055 0.000017 -0.000101 -0.000154 0.000020 0.000011 3C 1f+3 0.000143 0.000021 0.000231 0.000318 -0.000011 -0.000000 3C 1f-3 -0.000212 -0.000037 -0.000313 -0.000392 0.000010 0.000022 4C 1s 0.033792 -0.044833 -0.026002 0.000711 -0.000519 -0.000606 4C 2s 0.071655 -0.095089 -0.055169 0.001508 -0.001089 -0.001250 4C 3s -0.115812 0.153559 0.090336 -0.002487 0.000605 0.000007 4C 4s -0.082154 0.108400 0.058023 -0.001352 0.008073 0.012885 4C 5s -0.012103 0.006621 -0.007379 -0.000203 0.002732 -0.000351 4C 1pz -0.031054 0.040905 0.023809 -0.000481 0.001368 0.000251 4C 1px -0.006380 0.008461 0.004918 -0.000041 -0.002998 0.000668 4C 1py -0.021273 0.028026 0.016304 -0.000702 -0.000312 0.000410 4C 2pz -0.009871 0.009080 0.004273 0.000017 0.001711 0.001700 4C 2px -0.002256 0.002063 0.000922 0.000153 0.000072 0.000590 4C 2py -0.007034 0.006587 0.003108 -0.000308 0.001174 0.001209 4C 3pz 0.013298 -0.009984 0.008802 0.001411 0.001373 0.002858 4C 3px 0.002410 -0.001395 0.001175 0.000837 0.002919 0.000542 4C 3py 0.008557 -0.006577 0.005938 -0.001317 0.002184 0.001684 4C 1dz2 0.001641 -0.002216 -0.001249 -0.000038 0.000123 -0.000100 4C 1dxz 0.003706 -0.004901 -0.002795 0.000045 -0.000333 -0.000010 4C 1dyz -0.002038 0.002563 0.001490 0.000003 0.000069 0.000055 4C 1dx2y2 -0.006020 0.007947 0.004529 -0.000185 0.000106 0.000186 4C 1dxy -0.003238 0.004231 0.002417 -0.000070 -0.000138 0.000142 4C 2dz2 -0.000737 0.001453 0.000802 0.000686 -0.000640 -0.000042 4C 2dxz 0.000660 -0.000836 -0.000187 0.000346 -0.000095 -0.001088 4C 2dyz -0.002847 0.004945 0.002436 -0.000487 0.000070 0.000504 4C 2dx2y2 -0.002014 0.002756 0.001196 0.000569 0.000997 0.001093 4C 2dxy -0.001758 0.002753 0.001336 0.000016 0.000901 0.000512 4C 1f0 0.001414 -0.001952 -0.001035 0.000054 -0.000072 -0.000148 4C 1f+1 0.002910 -0.004019 -0.002141 0.000050 -0.000203 -0.000233 4C 1f-1 0.001455 -0.002032 -0.001076 0.000043 -0.000045 -0.000071 4C 1f+2 -0.002735 0.003786 0.002004 -0.000018 0.000109 0.000266 4C 1f-2 0.000478 -0.000667 -0.000357 0.000054 0.000012 -0.000003 4C 1f+3 -0.000099 0.000133 0.000062 -0.000042 -0.000028 0.000075 4C 1f-3 0.002404 -0.003317 -0.001762 0.000073 -0.000194 -0.000192 5C 1s 0.027447 0.001888 0.034664 0.043348 -0.000163 -0.000741 5C 2s 0.058186 0.004006 0.073525 0.091922 -0.000325 -0.001538 5C 3s -0.093601 -0.006624 -0.119526 -0.147823 -0.000429 0.000556 5C 4s -0.068640 -0.003811 -0.081011 -0.107356 0.005656 0.012886 5C 5s -0.012905 -0.000147 0.003436 -0.008456 -0.001416 0.000881 5C 1pz -0.015332 -0.001313 -0.019241 -0.023973 0.000802 -0.000214 5C 1px -0.009877 -0.000702 -0.012441 -0.015517 -0.002256 0.001902 5C 1py 0.025148 0.001531 0.031616 0.039370 -0.000533 -0.000225 5C 2pz -0.005310 -0.000687 -0.004345 -0.005755 0.000481 0.001113 5C 2px -0.003100 0.000175 -0.002150 -0.002787 -0.000319 0.001247 5C 2py 0.008352 0.000439 0.006480 0.008564 -0.000484 -0.002000 5C 3pz 0.007080 -0.001322 -0.002547 0.007209 -0.000048 0.002068 5C 3px 0.004731 0.000225 -0.001225 0.004602 0.001267 -0.000739 5C 3py -0.012464 -0.001582 0.004028 -0.011678 0.000135 -0.003103 5C 1dz2 0.003170 0.000280 0.003926 0.004946 0.000051 -0.000170 5C 1dxz 0.002931 0.000234 0.003654 0.004627 -0.000169 -0.000051 5C 1dyz 0.002751 0.000148 0.003353 0.004183 -0.000137 -0.000041 5C 1dx2y2 -0.004139 -0.000221 -0.005152 -0.006543 -0.000080 0.000237 5C 1dxy -0.000816 -0.000053 -0.001042 -0.001352 0.000238 -0.000118 5C 2dz2 0.001949 -0.000680 0.002275 0.003360 -0.000584 -0.000771 5C 2dxz 0.000653 -0.000254 0.000483 0.000864 0.000159 -0.000703 5C 2dyz 0.002656 0.000550 0.003660 0.005496 -0.000132 -0.000752 5C 2dx2y2 -0.000712 -0.000477 -0.000326 -0.000601 0.000562 0.000997 5C 2dxy 0.000734 -0.000168 0.001206 0.001718 -0.000577 0.000337 5C 1f0 0.000353 0.000045 0.000428 0.000561 0.000033 -0.000090 5C 1f+1 0.001463 0.000102 0.001788 0.002405 -0.000091 -0.000180 5C 1f-1 -0.000224 0.000045 -0.000274 -0.000366 0.000010 0.000010 5C 1f+2 -0.000880 -0.000099 -0.001093 -0.001467 -0.000022 0.000039 5C 1f-2 -0.002054 -0.000119 -0.002530 -0.003406 0.000046 0.000204 5C 1f+3 0.002252 0.000133 0.002757 0.003708 -0.000154 -0.000229 5C 1f-3 -0.002364 -0.000129 -0.002883 -0.003872 0.000071 0.000237 6C 1s 0.027297 0.001285 0.033113 -0.044657 -0.000454 -0.000608 6C 2s 0.057869 0.002724 0.070234 -0.094699 -0.000950 -0.001252 6C 3s -0.093085 -0.004308 -0.114241 0.152330 0.000689 0.000033 6C 4s -0.068300 -0.003650 -0.077137 0.110453 0.006117 0.012745 6C 5s -0.012943 0.000283 0.003742 0.008380 0.001609 -0.000497 6C 1pz 0.015244 0.000450 0.018395 -0.024686 0.000686 -0.000464 6C 1px 0.009832 0.000438 0.011897 -0.016001 -0.002911 0.000452 6C 1py -0.025009 -0.001364 -0.030193 0.040565 -0.000177 0.000549 6C 2pz 0.005300 -0.000263 0.004181 -0.005932 -0.000546 -0.001098 6C 2px 0.003090 0.000388 0.002021 -0.002871 -0.001117 -0.000556 6C 2py -0.008327 -0.000194 -0.006182 0.008821 0.001216 0.001680 6C 3pz -0.007030 -0.001206 0.002927 0.007131 -0.001715 -0.001334 6C 3px -0.004722 0.000262 0.001370 0.004575 0.001392 -0.000470 6C 3py 0.012449 -0.001729 -0.004332 -0.011597 0.002613 0.001941 6C 1dz2 0.003154 0.000081 0.003753 -0.005093 -0.000162 -0.000072 6C 1dxz 0.002918 0.000102 0.003494 -0.004770 0.000071 -0.000161 6C 1dyz 0.002735 0.000160 0.003199 -0.004308 0.000058 -0.000130 6C 1dx2y2 -0.004116 -0.000251 -0.004913 0.006738 0.000231 0.000094 6C 1dxy -0.000808 -0.000042 -0.000990 0.001387 -0.000244 0.000102 6C 2dz2 0.001929 0.000884 0.002089 -0.003444 -0.000209 -0.000946 6C 2dxz 0.000648 0.000299 0.000433 -0.000884 -0.000651 -0.000346 6C 2dyz 0.002649 -0.000218 0.003496 -0.005639 -0.000492 -0.000597 6C 2dx2y2 -0.000726 0.000442 -0.000349 0.000622 0.000398 0.001075 6C 2dxy 0.000729 0.000275 0.001126 -0.001767 0.000639 -0.000205 6C 1f0 -0.000351 0.000006 -0.000409 0.000576 0.000091 0.000035 6C 1f+1 -0.001456 -0.000062 -0.001703 0.002474 0.000077 0.000186 6C 1f-1 0.000222 0.000070 0.000256 -0.000376 -0.000001 -0.000014 6C 1f+2 0.000875 0.000001 0.001043 -0.001507 -0.000044 -0.000009 6C 1f-2 0.002044 0.000112 0.002408 -0.003503 -0.000127 -0.000170 6C 1f+3 -0.002239 -0.000119 -0.002622 0.003811 0.000074 0.000266 6C 1f-3 0.002351 0.000135 0.002743 -0.003982 -0.000135 -0.000209 7C 1s 0.033184 0.043004 -0.029633 0.000168 -0.000114 -0.000787 7C 2s 0.070365 0.091208 -0.062870 0.000356 -0.000223 -0.001637 7C 3s -0.113710 -0.147174 0.102764 -0.000568 -0.000388 0.000439 7C 4s -0.080770 -0.104459 0.066833 -0.000594 0.004342 0.014622 7C 5s -0.012016 -0.007356 -0.006821 0.000457 -0.002161 0.001879 7C 1pz 0.030451 0.039171 -0.027072 0.000322 0.000702 -0.001194 7C 1px 0.006255 0.008099 -0.005592 0.000126 -0.002449 0.001822 7C 1py 0.020952 0.026958 -0.018639 -0.000151 -0.000509 -0.000034 7C 2pz 0.009758 0.008852 -0.005018 0.000160 -0.000125 -0.002400 7C 2px 0.002246 0.002030 -0.001099 0.000184 -0.000392 -0.000491 7C 2py 0.006971 0.006432 -0.003666 -0.000203 -0.000117 -0.001704 7C 3pz -0.013111 -0.010782 -0.007911 0.001721 -0.001225 -0.002972 7C 3px -0.002349 -0.001471 -0.001037 0.000879 0.001548 -0.002639 7C 3py -0.008493 -0.007128 -0.005455 -0.001108 0.000208 -0.002827 7C 1dz2 0.001624 0.002146 -0.001438 0.000081 -0.000155 0.000025 7C 1dxz 0.003641 0.004708 -0.003192 0.000050 0.000210 -0.000257 7C 1dyz -0.002010 -0.002468 0.001703 -0.000052 -0.000004 0.000088 7C 1dx2y2 -0.005908 -0.007625 0.005171 0.000032 0.000070 0.000202 7C 1dxy -0.003178 -0.004059 0.002758 -0.000012 0.000196 -0.000011 7C 2dz2 -0.000693 -0.001359 0.000871 -0.000714 0.000395 -0.000524 7C 2dxz 0.000662 0.000844 -0.000278 -0.000340 -0.000741 -0.000789 7C 2dyz -0.002794 -0.004781 0.002859 0.000402 0.000339 0.000387 7C 2dx2y2 -0.001982 -0.002683 0.001401 -0.000609 0.000149 0.001484 7C 2dxy -0.001733 -0.002672 0.001568 -0.000061 -0.000204 0.001027 7C 1f0 -0.001383 -0.001873 0.001190 0.000019 0.000064 0.000151 7C 1f+1 -0.002849 -0.003860 0.002461 -0.000022 0.000040 0.000308 7C 1f-1 -0.001428 -0.001957 0.001241 0.000006 0.000025 0.000081 7C 1f+2 0.002689 0.003652 -0.002314 0.000050 -0.000128 -0.000257 7C 1f-2 -0.000472 -0.000646 0.000415 0.000041 0.000010 -0.000007 7C 1f+3 0.000100 0.000132 -0.000077 -0.000040 -0.000075 -0.000027 7C 1f-3 -0.002370 -0.003206 0.002040 0.000014 0.000016 0.000276 8C 1s 0.004079 0.000195 0.005053 -0.006830 -0.000079 -0.000110 8C 2s 0.008492 0.000405 0.010523 -0.014230 -0.000165 -0.000241 8C 3s -0.012692 -0.000672 -0.015947 0.022096 0.000247 0.000767 8C 4s -0.009202 0.000022 -0.009375 0.009119 0.000286 -0.001593 8C 5s 0.024593 -0.001183 -0.003798 -0.015980 0.002356 0.004523 8C 1pz 0.003921 0.000194 0.004781 -0.006553 -0.000017 -0.000123 8C 1px 0.002480 0.000120 0.003037 -0.004101 -0.000185 -0.000055 8C 1py -0.006579 -0.000307 -0.008056 0.010928 0.000092 0.000210 8C 2pz 0.000888 -0.000506 0.001104 0.000129 -0.000203 0.000204 8C 2px 0.000519 -0.000089 0.000414 -0.000285 -0.000022 0.000165 8C 2py -0.001512 -0.000158 -0.001444 0.000563 0.000202 -0.000532 8C 3pz -0.003902 0.001035 0.000149 0.001169 -0.000085 -0.000376 8C 3px -0.001428 0.000147 0.001388 0.001078 -0.000947 -0.000207 8C 3py 0.005163 0.000327 -0.002032 -0.002791 0.000212 0.000522 8C 1dz2 0.000113 0.000033 0.000154 -0.000166 -0.000002 -0.000005 8C 1dxz -0.000110 0.000002 -0.000112 0.000155 0.000009 0.000001 8C 1dyz 0.000459 0.000014 0.000559 -0.000666 -0.000004 -0.000002 8C 1dx2y2 0.000245 0.000012 0.000269 -0.000352 -0.000011 0.000005 8C 1dxy 0.000237 0.000006 0.000278 -0.000341 -0.000007 -0.000006 8C 2dz2 0.000217 0.000091 0.000078 -0.000237 -0.000015 0.000081 8C 2dxz 0.000126 0.000059 0.000093 -0.000467 0.000135 -0.000040 8C 2dyz -0.000135 -0.000109 -0.000571 0.000545 0.000030 0.000296 8C 2dx2y2 -0.000248 -0.000034 -0.000355 0.001012 0.000029 0.000070 8C 2dxy -0.000027 -0.000067 -0.000134 0.000527 -0.000118 0.000051 8C 1f0 -0.000136 0.000003 -0.000115 0.000107 -0.000005 -0.000022 8C 1f+1 -0.000149 -0.000023 -0.000186 0.000233 0.000001 0.000004 8C 1f-1 0.000022 0.000043 0.000046 -0.000049 0.000001 -0.000014 8C 1f+2 -0.000169 0.000004 -0.000180 0.000197 0.000004 -0.000054 8C 1f-2 0.000053 0.000026 0.000093 -0.000156 0.000005 -0.000022 8C 1f+3 -0.000143 -0.000000 -0.000221 0.000329 -0.000007 0.000008 8C 1f-3 0.000210 -0.000009 0.000298 -0.000402 -0.000011 -0.000022 9C 1s 0.004964 0.006557 -0.004527 0.000025 -0.000019 -0.000143 9C 2s 0.010337 0.013663 -0.009431 0.000052 -0.000046 -0.000305 9C 3s -0.015354 -0.021008 0.014219 -0.000079 0.000308 0.000780 9C 4s -0.011528 -0.009839 0.008588 -0.000047 -0.001095 -0.000997 9C 5s 0.025230 0.014017 0.010272 -0.001156 0.002082 0.005526 9C 1pz 0.007982 0.010489 -0.007190 0.000033 -0.000019 -0.000266 9C 1px 0.001577 0.002030 -0.001427 0.000005 -0.000146 0.000050 9C 1py 0.005400 0.007102 -0.004856 0.000032 -0.000055 -0.000143 9C 2pz 0.002269 0.001158 -0.001683 0.000286 0.000470 0.000019 9C 2px 0.000325 0.000521 -0.000081 0.000157 0.000335 0.000154 9C 2py 0.001306 0.000420 -0.001016 -0.000396 0.000308 0.000055 9C 3pz -0.005348 -0.002090 -0.003325 -0.000262 -0.000017 -0.000904 9C 3px 0.000071 -0.000803 -0.001751 -0.000326 -0.000932 0.000500 9C 3py -0.003729 -0.001314 -0.002058 0.001038 -0.000384 -0.000579 9C 1dz2 -0.000346 -0.000401 0.000294 -0.000023 -0.000001 0.000011 9C 1dxz -0.000100 -0.000116 0.000071 -0.000001 -0.000003 -0.000007 9C 1dyz -0.000601 -0.000693 0.000532 0.000008 -0.000008 0.000011 9C 1dx2y2 0.000104 0.000122 -0.000064 -0.000013 0.000004 -0.000004 9C 1dxy -0.000136 -0.000154 0.000130 -0.000016 -0.000000 -0.000004 9C 2dz2 0.000047 0.000457 -0.000231 -0.000086 -0.000185 0.000008 9C 2dxz 0.000033 0.000449 0.000093 -0.000019 0.000080 -0.000006 9C 2dyz 0.000050 0.000466 -0.000440 0.000061 -0.000259 -0.000109 9C 2dx2y2 -0.000275 -0.000643 0.000151 -0.000038 -0.000069 -0.000036 9C 2dxy -0.000286 -0.000329 0.000162 -0.000031 -0.000010 -0.000105 9C 1f0 -0.000063 -0.000105 0.000074 0.000037 0.000012 -0.000006 9C 1f+1 -0.000293 -0.000417 0.000283 0.000024 0.000018 0.000006 9C 1f-1 0.000177 0.000089 -0.000086 0.000004 0.000023 0.000034 9C 1f+2 0.000066 0.000133 -0.000090 0.000030 -0.000017 -0.000022 9C 1f-2 0.000110 0.000107 -0.000107 0.000003 0.000016 0.000038 9C 1f+3 -0.000060 -0.000124 0.000083 -0.000007 0.000012 0.000003 9C 1f-3 -0.000272 -0.000362 0.000268 -0.000015 0.000007 -0.000007 10H 1s -0.002241 0.003089 0.001852 -0.000049 -0.000007 0.000062 10H 2s -0.002502 0.002503 0.001774 -0.000073 -0.000067 0.000444 10H 3s -0.001193 0.002094 -0.000660 0.000049 0.000257 -0.001010 10H 1pz -0.000351 0.000503 0.000324 -0.000014 -0.000010 0.000062 10H 1px 0.000355 -0.000423 -0.000318 0.000013 -0.000003 -0.000066 10H 1py -0.000154 0.000223 0.000157 -0.000010 -0.000007 0.000033 11H 1s -0.002081 0.002931 0.001662 -0.000049 0.000062 0.000045 11H 2s -0.002682 0.003293 0.001484 0.000109 0.000179 -0.000077 11H 3s -0.002873 0.001161 0.000898 -0.000576 -0.000738 -0.000553 11H 1pz -0.000583 0.000812 0.000474 0.000039 0.000037 0.000019 11H 1px -0.000254 0.000426 0.000154 0.000024 0.000026 -0.000004 11H 1py -0.000085 0.000079 0.000099 -0.000001 -0.000021 -0.000008 12H 1s -0.002111 0.002952 0.001711 -0.000046 0.000074 0.000050 12H 2s -0.002424 0.002665 0.001383 -0.000173 0.000300 -0.000031 12H 3s -0.002477 0.001632 0.000487 0.000259 -0.000639 -0.000338 12H 1pz -0.000195 0.000268 0.000186 -0.000022 0.000003 0.000007 12H 1px -0.000157 0.000266 0.000087 -0.000021 0.000023 -0.000010 12H 1py -0.000476 0.000657 0.000396 -0.000053 0.000061 0.000029 13H 1s -0.001793 -0.000129 -0.002412 -0.002971 -0.000001 0.000095 13H 2s -0.002132 -0.000227 -0.002435 -0.002517 -0.000105 0.000346 13H 3s -0.001182 0.000118 0.000089 -0.002226 -0.000020 -0.000885 13H 1pz -0.000309 -0.000042 -0.000462 -0.000487 0.000002 0.000059 13H 1px 0.000197 0.000021 0.000265 0.000274 -0.000007 -0.000033 13H 1py 0.000220 0.000028 0.000327 0.000405 0.000014 -0.000040 14H 1s -0.001716 -0.000123 -0.002287 -0.002876 0.000039 0.000042 14H 2s -0.002132 -0.000238 -0.002194 -0.002647 0.000249 0.000001 14H 3s -0.002017 0.000108 -0.000915 -0.001886 -0.000615 -0.000307 14H 1pz -0.000296 -0.000047 -0.000432 -0.000457 0.000045 0.000020 14H 1px -0.000307 -0.000048 -0.000391 -0.000532 0.000041 0.000009 14H 1py 0.000143 0.000024 0.000210 0.000257 -0.000008 -0.000001 15H 1s -0.001673 -0.000121 -0.002195 -0.002838 0.000017 0.000052 15H 2s -0.002233 0.000057 -0.002208 -0.003304 0.000002 -0.000096 15H 3s -0.002616 -0.000771 -0.001545 -0.001071 -0.000410 -0.000552 15H 1pz -0.000016 -0.000014 -0.000063 0.000060 -0.000001 -0.000003 15H 1px -0.000142 0.000010 -0.000171 -0.000270 -0.000001 -0.000002 15H 1py 0.000506 -0.000028 0.000661 0.000875 -0.000022 -0.000003 16H 1s -0.001161 0.000326 -0.000053 0.000154 -0.084257 -0.031626 16H 2s -0.000537 -0.000310 0.000421 -0.000003 -0.059375 -0.021881 16H 3s -0.000097 0.000547 0.000338 -0.000101 -0.001700 -0.000344 16H 1pz -0.000196 -0.000033 0.000041 -0.000015 -0.014338 -0.005309 16H 1px 0.000030 -0.000062 -0.000075 -0.000010 -0.000021 -0.000067 16H 1py -0.000074 -0.000036 -0.000007 0.000046 -0.004990 -0.001876 17H 1s -0.001129 0.000176 -0.000161 0.000275 -0.084229 -0.031615 17H 2s -0.000445 0.000090 -0.000303 -0.000427 -0.059135 -0.021825 17H 3s 0.000012 -0.000068 -0.000255 0.000430 -0.001701 -0.000315 17H 1pz 0.000129 0.000018 0.000007 0.000049 0.009855 0.003680 17H 1px 0.000118 0.000005 0.000086 -0.000012 0.008841 0.003226 17H 1py -0.000106 0.000038 -0.000011 -0.000033 -0.007108 -0.002662 18H 1s -0.001127 -0.000200 -0.000152 -0.000264 0.031422 -0.084312 18H 2s -0.000443 -0.000119 -0.000261 0.000431 0.022332 -0.058921 18H 3s 0.000011 0.000054 -0.000269 -0.000418 0.000864 -0.001441 18H 1pz -0.000132 0.000015 -0.000008 0.000049 0.003770 -0.010064 18H 1px -0.000118 -0.000002 -0.000084 -0.000010 0.003370 -0.008790 18H 1py 0.000102 0.000039 0.000004 -0.000031 -0.002551 0.006832 19H 1s -0.001157 -0.000343 -0.000029 -0.000150 0.031428 -0.084330 19H 2s -0.000539 0.000340 0.000405 -0.000009 0.022481 -0.059229 19H 3s -0.000088 -0.000520 0.000389 0.000080 0.000860 -0.001520 19H 1pz 0.000194 -0.000034 -0.000039 -0.000013 -0.005361 0.014190 19H 1px -0.000031 -0.000056 0.000081 -0.000013 0.000080 -0.000058 19H 1py 0.000079 -0.000035 0.000009 0.000046 -0.001980 0.005318 20H 1s -0.001665 -0.000079 -0.002095 0.002923 0.000028 0.000048 20H 2s -0.002221 -0.000265 -0.002077 0.003385 -0.000082 -0.000058 20H 3s -0.002619 0.000604 -0.001553 0.001143 -0.000157 -0.000681 20H 1pz 0.000014 -0.000009 0.000064 0.000059 0.000001 0.000004 20H 1px 0.000142 0.000026 0.000161 -0.000280 0.000001 0.000002 20H 1py -0.000501 -0.000088 -0.000624 0.000897 -0.000013 0.000020 21H 1s -0.001704 -0.000085 -0.002182 0.002961 0.000006 0.000057 21H 2s -0.002127 0.000032 -0.002106 0.002739 -0.000167 0.000182 21H 3s -0.002017 -0.000211 -0.000841 0.001905 0.000153 -0.000664 21H 1pz 0.000296 -0.000008 0.000420 -0.000477 0.000015 -0.000046 21H 1px 0.000304 -0.000012 0.000372 -0.000546 0.000020 -0.000036 21H 1py -0.000144 0.000005 -0.000204 0.000266 -0.000005 0.000006 22H 1s -0.001783 -0.000091 -0.002306 0.003063 0.000073 0.000061 22H 2s -0.002125 -0.000002 -0.002356 0.002610 0.000330 0.000145 22H 3s -0.001172 -0.000121 0.000187 0.002235 -0.000666 -0.000596 22H 1pz 0.000305 0.000000 0.000444 -0.000502 -0.000043 -0.000039 22H 1px -0.000198 -0.000004 -0.000259 0.000287 0.000020 0.000027 22H 1py -0.000220 -0.000002 -0.000315 0.000418 0.000040 0.000016 23H 1s -0.002069 -0.002830 0.001947 -0.000013 -0.000011 0.000088 23H 2s -0.002393 -0.002593 0.001604 0.000130 -0.000227 0.000203 23H 3s -0.002475 -0.001598 0.000631 -0.000282 0.000169 -0.000711 23H 1pz 0.000194 0.000255 -0.000210 -0.000015 -0.000004 -0.000007 23H 1px 0.000149 0.000255 -0.000105 -0.000018 0.000023 -0.000010 23H 1py 0.000470 0.000636 -0.000452 -0.000040 0.000019 -0.000066 24H 1s -0.002042 -0.002814 0.001901 -0.000008 -0.000007 0.000077 24H 2s -0.002642 -0.003186 0.001749 -0.000157 -0.000180 0.000093 24H 3s -0.002838 -0.001130 0.000994 0.000540 0.000064 -0.000932 24H 1pz 0.000570 0.000773 -0.000537 0.000055 0.000010 -0.000042 24H 1px 0.000252 0.000419 -0.000191 0.000029 0.000021 -0.000019 24H 1py 0.000084 0.000076 -0.000104 0.000003 -0.000008 0.000021 25H 1s -0.002202 -0.002960 0.002105 -0.000014 0.000051 0.000034 25H 2s -0.002470 -0.002386 0.001981 0.000011 0.000376 0.000245 25H 3s -0.001155 -0.002158 -0.000493 -0.000021 -0.000940 -0.000460 25H 1pz 0.000347 0.000482 -0.000368 -0.000002 -0.000054 -0.000034 25H 1px -0.000350 -0.000401 0.000353 0.000002 0.000047 0.000045 25H 1py 0.000146 0.000207 -0.000170 -0.000004 -0.000028 -0.000017 26O 1s 0.033944 -0.044434 -0.025896 0.000703 0.001102 -0.000743 26O 2s 0.080232 -0.105090 -0.061230 0.001664 0.002580 -0.001769 26O 3s -0.114979 0.151459 0.087845 -0.002418 -0.003215 0.002737 26O 4s -0.153698 0.196934 0.117548 -0.003036 -0.006836 0.003225 26O 5s -0.049432 0.077864 0.038521 -0.001740 -0.006351 -0.005031 26O 1pz -0.002275 0.001645 0.001242 0.000312 0.000017 -0.000016 26O 1px 0.038576 -0.051490 -0.029675 0.001023 -0.000127 -0.001139 26O 1py 0.013076 -0.018326 -0.010394 -0.000262 -0.000037 -0.000424 26O 2pz -0.003486 0.003327 0.002044 0.000256 -0.000393 0.000062 26O 2px 0.030912 -0.041436 -0.024458 0.000860 0.000722 -0.000301 26O 2py 0.009356 -0.013378 -0.007828 -0.000213 0.000135 -0.000082 26O 3pz -0.000201 0.005538 -0.001695 0.000006 0.001015 -0.000202 26O 3px 0.004308 -0.006488 -0.005091 0.000450 0.002247 0.004250 26O 3py 0.001497 0.001070 -0.003041 -0.000123 0.000645 0.001333 26O 1dz2 0.001087 -0.001506 -0.000825 0.000048 0.000010 -0.000022 26O 1dxz -0.000186 0.000221 0.000168 -0.000010 -0.000019 -0.000022 26O 1dyz -0.000067 -0.000039 0.000074 -0.000017 0.000022 0.000020 26O 1dx2y2 -0.001418 0.001892 0.001072 -0.000033 -0.000017 0.000056 26O 1dxy -0.001381 0.001789 0.001072 -0.000004 -0.000013 0.000040 26O 2dz2 0.002250 -0.002828 -0.001925 0.000148 0.000272 0.000097 26O 2dxz -0.000484 0.000750 0.000314 0.000071 -0.000223 0.000110 26O 2dyz -0.001253 0.002125 0.000979 -0.000080 -0.000299 -0.000087 26O 2dx2y2 -0.003423 0.004577 0.002956 0.000031 -0.000278 -0.000266 26O 2dxy -0.003586 0.004999 0.002998 -0.000132 -0.000512 -0.000166 26O 1f0 -0.000115 0.000151 0.000092 0.000003 -0.000016 0.000000 26O 1f+1 -0.000726 0.000967 0.000577 -0.000013 -0.000028 0.000005 26O 1f-1 -0.000449 0.000618 0.000397 -0.000015 -0.000026 0.000004 26O 1f+2 0.000096 -0.000139 -0.000084 -0.000002 0.000033 -0.000004 26O 1f-2 0.000100 -0.000117 -0.000071 -0.000002 -0.000000 0.000006 26O 1f+3 -0.000418 0.000560 0.000345 0.000006 -0.000004 -0.000005 26O 1f-3 -0.000940 0.001243 0.000750 -0.000030 -0.000031 -0.000003 27O 1s 0.027489 0.001853 0.034404 0.042740 0.000983 -0.001381 27O 2s 0.064955 0.004380 0.081325 0.101064 0.002311 -0.003279 27O 3s -0.092902 -0.006254 -0.116543 -0.145527 -0.003070 0.004901 27O 4s -0.124600 -0.008453 -0.155675 -0.188986 -0.005130 0.006056 27O 5s -0.038857 -0.003523 -0.052269 -0.076419 -0.005907 -0.003718 27O 1pz -0.004986 -0.000865 -0.005815 -0.006931 -0.000017 0.000169 27O 1px 0.032595 0.002127 0.041315 0.052080 0.000322 -0.001657 27O 1py -0.002316 -0.000581 -0.003636 -0.005192 -0.000060 0.000264 27O 2pz -0.004794 -0.000752 -0.005608 -0.006697 -0.000263 0.000183 27O 2px 0.025556 0.001843 0.033369 0.041319 0.000978 -0.000563 27O 2py -0.000456 -0.000417 -0.001545 -0.002280 0.000262 -0.000076 27O 3pz -0.000305 -0.000353 -0.000087 -0.004571 -0.001133 -0.001058 27O 3px 0.003683 0.000723 0.006870 0.006105 -0.000749 0.003493 27O 3py -0.000441 -0.000253 -0.001769 0.004721 0.000768 0.000292 27O 1dz2 0.000847 0.000028 0.001076 0.001309 0.000016 -0.000054 27O 1dxz 0.000246 0.000031 0.000292 0.000417 0.000029 -0.000016 27O 1dyz -0.000056 0.000000 -0.000071 -0.000213 -0.000037 -0.000019 27O 1dx2y2 -0.001495 -0.000107 -0.001876 -0.002409 -0.000046 0.000080 27O 1dxy 0.000535 0.000050 0.000701 0.000781 -0.000019 -0.000032 27O 2dz2 0.002495 0.000125 0.003404 0.004159 0.000250 0.000111 27O 2dxz 0.000452 -0.000056 0.000683 0.000626 -0.000176 0.000088 27O 2dyz 0.000659 0.000130 0.000945 0.001515 0.000238 0.000079 27O 2dx2y2 -0.003380 -0.000385 -0.004668 -0.005334 -0.000192 -0.000151 27O 2dxy 0.001649 0.000103 0.002171 0.002914 0.000467 0.000014 27O 1f0 0.000199 0.000008 0.000295 0.000338 0.000008 -0.000002 27O 1f+1 -0.000655 -0.000055 -0.000848 -0.001030 -0.000023 0.000010 27O 1f-1 0.000147 0.000012 0.000202 0.000236 0.000006 -0.000003 27O 1f+2 -0.000042 0.000009 -0.000024 -0.000045 0.000012 -0.000009 27O 1f-2 0.000039 0.000001 0.000065 0.000084 0.000030 -0.000006 27O 1f+3 -0.000730 -0.000061 -0.000972 -0.001172 -0.000036 0.000015 27O 1f-3 0.000403 0.000021 0.000526 0.000638 0.000023 -0.000009 28O 1s 0.033492 -0.043790 -0.025537 0.000691 -0.001860 -0.000177 28O 2s 0.079150 -0.103552 -0.060368 0.001637 -0.004400 -0.000434 28O 3s -0.113335 0.149167 0.086512 -0.002382 0.006332 0.000908 28O 4s -0.151654 0.193841 0.116088 -0.002974 0.008670 0.000238 28O 5s -0.048969 0.077740 0.037705 -0.001526 0.000659 -0.007230 28O 1pz 0.021098 -0.029378 -0.016669 0.000801 -0.000980 -0.000498 28O 1px -0.034631 0.045703 0.026456 -0.000508 0.001361 0.000697 28O 1py -0.000363 -0.000475 -0.000076 -0.000539 -0.000087 -0.000051 28O 2pz 0.015396 -0.021899 -0.012885 0.000663 -0.000418 0.000180 28O 2px -0.028403 0.037520 0.022204 -0.000434 0.001095 -0.000359 28O 2py -0.001504 0.001022 0.000657 -0.000453 0.000285 -0.000159 28O 3pz 0.003418 0.000571 -0.004414 0.000120 0.002170 -0.000209 28O 3px -0.004178 0.008100 0.003908 -0.000045 -0.002638 -0.002406 28O 3py 0.000538 0.003415 -0.001327 -0.000298 -0.000128 -0.000297 28O 1dz2 -0.000121 0.000088 0.000117 0.000004 -0.000011 0.000033 28O 1dxz 0.001845 -0.002463 -0.001421 0.000056 -0.000096 -0.000026 28O 1dyz -0.000120 0.000032 0.000118 0.000002 0.000000 0.000038 28O 1dx2y2 -0.001242 0.001663 0.000938 -0.000004 0.000071 0.000018 28O 1dxy 0.000149 -0.000232 -0.000125 -0.000017 0.000002 0.000003 28O 2dz2 -0.000603 0.001047 0.000423 0.000117 0.000241 -0.000256 28O 2dxz 0.004487 -0.005983 -0.003762 0.000138 -0.000111 0.000345 28O 2dyz -0.001438 0.002357 0.001113 -0.000122 0.000174 -0.000299 28O 2dx2y2 -0.003055 0.004065 0.002642 -0.000003 -0.000062 -0.000168 28O 2dxy 0.000117 -0.000053 -0.000057 0.000052 -0.000110 0.000056 28O 1f0 -0.000474 0.000631 0.000379 -0.000010 0.000018 -0.000013 28O 1f+1 -0.000525 0.000689 0.000415 -0.000001 0.000030 -0.000012 28O 1f-1 -0.000037 0.000079 0.000065 0.000001 0.000022 -0.000012 28O 1f+2 0.001002 -0.001335 -0.000814 0.000021 -0.000037 0.000017 28O 1f-2 -0.000253 0.000337 0.000216 -0.000017 0.000008 -0.000003 28O 1f+3 0.000524 -0.000689 -0.000414 0.000014 -0.000009 0.000001 28O 1f-3 -0.000027 0.000039 0.000013 -0.000012 0.000015 -0.000012 29O 1s 0.001228 -0.000220 0.000117 -0.000179 0.091575 0.034284 29O 2s 0.002912 -0.000520 0.000280 -0.000424 0.217000 0.081207 29O 3s -0.004330 0.000712 -0.000443 0.000610 -0.314455 -0.117266 29O 4s -0.004305 0.001052 -0.000259 0.000721 -0.423347 -0.160155 29O 5s -0.005788 0.000751 -0.001022 0.000960 -0.154912 -0.053979 29O 1pz 0.000186 -0.000176 -0.000036 0.000062 0.018684 0.007025 29O 1px -0.000232 0.000027 -0.000040 0.000101 -0.035838 -0.013499 29O 1py 0.000793 -0.000216 0.000075 -0.000224 0.059837 0.022405 29O 2pz 0.000066 -0.000243 0.000011 0.000077 0.015461 0.005677 29O 2px 0.000096 0.000057 -0.000001 0.000195 -0.028971 -0.010554 29O 2py 0.000732 -0.000246 0.000062 -0.000237 0.053074 0.019898 29O 3pz -0.000515 -0.000677 0.000429 0.000539 0.001728 0.001310 29O 3px 0.001520 -0.000293 0.000401 0.000139 -0.003022 -0.002813 29O 3py 0.000607 -0.000519 0.000149 -0.000848 0.006748 0.002701 29O 1dz2 -0.000051 0.000020 -0.000000 -0.000005 -0.002455 -0.000937 29O 1dxz -0.000053 -0.000019 -0.000003 0.000016 -0.001667 -0.000650 29O 1dyz -0.000016 -0.000001 0.000017 0.000018 -0.000759 -0.000289 29O 1dx2y2 0.000058 -0.000005 0.000008 0.000014 0.000578 0.000256 29O 1dxy 0.000046 -0.000027 0.000013 -0.000029 0.002842 0.001081 29O 2dz2 0.000063 -0.000041 -0.000016 0.000058 -0.004532 -0.001630 29O 2dxz 0.000139 0.000144 0.000018 -0.000044 -0.003159 -0.001076 29O 2dyz 0.000021 0.000070 -0.000060 -0.000129 -0.001426 -0.000512 29O 2dx2y2 -0.000274 0.000003 -0.000025 -0.000104 0.000852 0.000141 29O 2dxy -0.000016 0.000112 -0.000028 0.000097 0.006443 0.002346 29O 1f0 0.000035 -0.000010 0.000007 -0.000011 0.002410 0.000915 29O 1f+1 -0.000016 0.000016 0.000003 -0.000004 -0.000921 -0.000352 29O 1f-1 0.000038 -0.000014 0.000010 -0.000010 0.002917 0.001095 29O 1f+2 -0.000024 -0.000006 -0.000007 0.000009 -0.001255 -0.000488 29O 1f-2 0.000021 -0.000000 -0.000004 -0.000002 0.001751 0.000653 29O 1f+3 -0.000030 0.000007 0.000001 -0.000003 -0.001254 -0.000496 29O 1f-3 -0.000015 0.000013 0.000002 0.000019 -0.000953 -0.000365 30O 1s 0.027263 0.001875 0.034100 0.042347 -0.001248 0.000272 30O 2s 0.064422 0.004433 0.080609 0.100140 -0.002943 0.000619 30O 3s -0.092151 -0.006360 -0.115552 -0.144252 0.004071 -0.000480 30O 4s -0.123442 -0.008447 -0.154078 -0.186895 0.006685 -0.002394 30O 5s -0.038788 -0.002516 -0.051429 -0.075409 -0.000558 -0.006326 30O 1pz 0.014030 0.000442 0.018132 0.023116 -0.000397 -0.000401 30O 1px -0.026516 -0.001920 -0.033115 -0.041315 0.000637 0.000673 30O 1py -0.013098 -0.001319 -0.017180 -0.022199 0.000394 0.000361 30O 2pz 0.010310 0.000276 0.013901 0.017351 -0.000118 -0.000091 30O 2px -0.021911 -0.001575 -0.027764 -0.034112 0.000677 -0.000312 30O 2py -0.008965 -0.000955 -0.012506 -0.015826 0.000118 0.000113 30O 3pz 0.001535 -0.000096 0.003262 -0.000324 0.000725 0.002069 30O 3px -0.002636 -0.000151 -0.004514 -0.008245 -0.002116 -0.002609 30O 3py -0.001787 -0.000422 -0.003772 0.002462 -0.001028 -0.001402 30O 1dz2 0.000250 0.000016 0.000310 0.000369 -0.000010 -0.000038 30O 1dxz 0.001148 0.000052 0.001445 0.001835 -0.000048 -0.000003 30O 1dyz 0.000702 0.000059 0.000902 0.000986 -0.000029 -0.000026 30O 1dx2y2 -0.000472 -0.000042 -0.000565 -0.000800 0.000036 0.000011 30O 1dxy -0.001146 -0.000098 -0.001453 -0.001871 0.000043 -0.000017 30O 2dz2 0.001052 -0.000066 0.001469 0.001789 0.000017 0.000196 30O 2dxz 0.002478 0.000160 0.003407 0.003926 -0.000039 0.000266 30O 2dyz 0.002509 0.000229 0.003395 0.004493 -0.000173 0.000431 30O 2dx2y2 -0.000982 -0.000162 -0.001443 -0.001383 -0.000220 -0.000003 30O 2dxy -0.002359 -0.000144 -0.003160 -0.003577 0.000102 -0.000200 30O 1f0 -0.000425 -0.000030 -0.000521 -0.000642 -0.000005 0.000002 30O 1f+1 0.000004 -0.000012 0.000014 0.000005 0.000009 -0.000009 30O 1f-1 -0.000027 -0.000006 -0.000031 -0.000038 -0.000004 -0.000003 30O 1f+2 0.000372 0.000034 0.000518 0.000614 -0.000014 0.000011 30O 1f-2 0.000740 0.000054 0.000989 0.001180 -0.000019 0.000023 30O 1f+3 -0.000124 -0.000002 -0.000174 -0.000207 0.000025 -0.000016 30O 1f-3 0.000502 0.000029 0.000652 0.000798 -0.000017 0.000015 31O 1s 0.027114 0.001250 0.032583 -0.043632 0.001020 -0.000761 31O 2s 0.064070 0.002954 0.077022 -0.103177 0.002389 -0.001809 31O 3s -0.091646 -0.004226 -0.110385 0.148606 -0.003013 0.002752 31O 4s -0.122779 -0.005683 -0.147386 0.192701 -0.006194 0.003451 31O 5s -0.038503 -0.002166 -0.048668 0.077329 -0.004532 -0.004587 31O 1pz -0.013950 -0.001210 -0.017270 0.023810 0.000044 0.000562 31O 1px 0.026369 0.001115 0.031639 -0.042558 -0.000092 -0.000920 31O 1py 0.013017 0.000248 0.016404 -0.022829 -0.000015 -0.000533 31O 2pz -0.010250 -0.000985 -0.013248 0.017884 -0.000012 0.000147 31O 2px 0.021788 0.000967 0.026541 -0.035151 0.000686 -0.000301 31O 2py 0.008903 0.000179 0.011946 -0.016277 -0.000003 -0.000160 31O 3pz -0.001531 -0.000389 -0.003264 -0.000188 -0.001131 -0.001922 31O 3px 0.002592 0.000248 0.004198 -0.008401 0.000635 0.003318 31O 3py 0.001778 -0.000079 0.003871 0.002340 0.000453 0.001715 31O 1dz2 0.000248 0.000013 0.000296 -0.000379 -0.000022 -0.000032 31O 1dxz 0.001142 0.000080 0.001377 -0.001890 0.000028 -0.000038 31O 1dyz 0.000699 0.000024 0.000868 -0.001020 -0.000001 -0.000039 31O 1dx2y2 -0.000470 -0.000010 -0.000537 0.000822 -0.000015 0.000034 31O 1dxy -0.001139 -0.000035 -0.001387 0.001925 -0.000040 0.000022 31O 2dz2 0.001043 0.000198 0.001392 -0.001843 0.000137 0.000141 31O 2dxz 0.002463 0.000150 0.003264 -0.004054 0.000234 0.000149 31O 2dyz 0.002494 0.000079 0.003237 -0.004620 0.000444 0.000153 31O 2dx2y2 -0.000978 0.000031 -0.001401 0.001437 0.000139 -0.000169 31O 2dxy -0.002344 -0.000144 -0.003027 0.003693 -0.000226 -0.000057 31O 1f0 0.000423 0.000017 0.000498 -0.000661 -0.000005 0.000002 31O 1f+1 -0.000003 -0.000014 -0.000012 0.000005 0.000013 -0.000001 31O 1f-1 0.000027 -0.000003 0.000030 -0.000039 -0.000001 0.000005 31O 1f+2 -0.000370 -0.000013 -0.000496 0.000634 -0.000017 0.000003 31O 1f-2 -0.000736 -0.000036 -0.000946 0.001217 -0.000030 -0.000001 31O 1f+3 0.000123 0.000014 0.000165 -0.000213 0.000029 -0.000008 31O 1f-3 -0.000498 -0.000031 -0.000622 0.000822 -0.000023 0.000003 32O 1s 0.001225 0.000244 0.000102 0.000171 -0.034225 0.091597 32O 2s 0.002904 0.000575 0.000244 0.000405 -0.081127 0.217030 32O 3s -0.004319 -0.000796 -0.000396 -0.000583 0.117870 -0.314224 32O 4s -0.004289 -0.001121 -0.000179 -0.000693 0.156975 -0.424563 32O 5s -0.005781 -0.000907 -0.001013 -0.000903 0.060894 -0.152230 32O 1pz -0.000164 -0.000172 0.000054 0.000063 0.006389 -0.017181 32O 1px 0.000238 0.000035 0.000041 0.000099 -0.013532 0.036436 32O 1py -0.000792 -0.000232 -0.000063 -0.000218 0.022418 -0.060006 32O 2pz -0.000046 -0.000239 0.000013 0.000080 0.005374 -0.014083 32O 2px -0.000092 0.000058 0.000004 0.000195 -0.011216 0.029235 32O 2py -0.000731 -0.000264 -0.000049 -0.000228 0.019844 -0.053187 32O 3pz 0.000529 -0.000703 -0.000350 0.000554 0.000050 -0.001897 32O 3px -0.001514 -0.000342 -0.000364 0.000155 0.000096 0.004255 32O 3py -0.000604 -0.000542 -0.000161 -0.000836 0.002405 -0.006907 32O 1dz2 -0.000051 -0.000021 0.000001 0.000005 0.000892 -0.002436 32O 1dxz -0.000054 0.000018 -0.000006 -0.000016 0.000622 -0.001735 32O 1dyz -0.000017 0.000002 0.000016 -0.000019 0.000314 -0.000854 32O 1dx2y2 0.000057 0.000006 0.000006 -0.000015 -0.000179 0.000583 32O 1dxy 0.000046 0.000028 0.000012 0.000028 -0.001041 0.002831 32O 2dz2 0.000062 0.000043 -0.000019 -0.000059 0.001738 -0.004474 32O 2dxz 0.000140 -0.000140 0.000032 0.000042 0.001287 -0.003160 32O 2dyz 0.000020 -0.000076 -0.000050 0.000130 0.000598 -0.001543 32O 2dx2y2 -0.000275 -0.000007 -0.000018 0.000105 -0.000434 0.000688 32O 2dxy -0.000016 -0.000113 -0.000021 -0.000098 -0.002435 0.006339 32O 1f0 -0.000033 -0.000010 -0.000007 -0.000009 0.000825 -0.002241 32O 1f+1 0.000017 0.000016 -0.000004 -0.000004 -0.000381 0.001041 32O 1f-1 -0.000039 -0.000016 -0.000009 -0.000009 0.001118 -0.003001 32O 1f+2 0.000026 -0.000004 0.000009 0.000010 -0.000512 0.001421 32O 1f-2 -0.000020 -0.000000 0.000004 -0.000002 0.000643 -0.001714 32O 1f+3 0.000029 0.000007 -0.000002 -0.000003 -0.000425 0.001207 32O 1f-3 0.000015 0.000013 -0.000002 0.000019 -0.000345 0.000946 33O 1s 0.032886 0.041986 -0.029073 0.000170 0.001078 -0.001516 33O 2s 0.077719 0.099288 -0.068730 0.000398 0.002539 -0.003597 33O 3s -0.111276 -0.143055 0.098562 -0.000536 -0.003437 0.005363 33O 4s -0.148960 -0.185646 0.131719 -0.000932 -0.005484 0.006682 33O 5s -0.047864 -0.074953 0.043997 0.000226 -0.005718 -0.004262 33O 1pz -0.020668 -0.028154 0.019034 0.000235 -0.000266 0.001061 33O 1px 0.034025 0.043864 -0.030162 0.000385 0.000368 -0.001481 33O 1py 0.000332 -0.000509 0.000127 -0.000542 -0.000020 0.000100 33O 2pz -0.015065 -0.020932 0.014641 0.000224 -0.000394 0.000192 33O 2px 0.027898 0.035960 -0.025241 0.000316 0.000975 -0.000587 33O 2py 0.001463 0.000952 -0.000732 -0.000433 0.000309 -0.000112 33O 3pz -0.003428 0.000871 0.004360 -0.000025 0.001581 -0.001483 33O 3px 0.004056 0.007794 -0.004563 0.000092 0.000055 0.003577 33O 3py -0.000591 0.003490 0.001037 -0.000337 0.000104 0.000298 33O 1dz2 -0.000117 -0.000076 0.000122 -0.000008 0.000033 0.000013 33O 1dxz 0.001810 0.002361 -0.001619 -0.000008 0.000044 -0.000089 33O 1dyz -0.000121 -0.000026 0.000122 -0.000006 0.000028 0.000026 33O 1dx2y2 -0.001221 -0.001598 0.001072 -0.000027 -0.000034 0.000065 33O 1dxy 0.000149 0.000227 -0.000145 0.000021 0.000001 0.000003 33O 2dz2 -0.000581 -0.001006 0.000496 -0.000132 -0.000351 0.000014 33O 2dxz 0.004397 0.005706 -0.004241 -0.000010 0.000326 0.000141 33O 2dyz -0.001412 -0.002285 0.001314 0.000084 -0.000338 -0.000066 33O 2dx2y2 -0.003004 -0.003880 0.002972 -0.000087 -0.000083 -0.000156 33O 2dxy 0.000123 0.000058 -0.000069 -0.000050 0.000115 -0.000047 33O 1f0 0.000466 0.000606 -0.000431 0.000003 0.000022 -0.000005 33O 1f+1 0.000513 0.000657 -0.000468 0.000013 0.000028 -0.000015 33O 1f-1 0.000035 0.000073 -0.000070 0.000004 0.000023 -0.000009 33O 1f+2 -0.000983 -0.001276 0.000921 -0.000007 -0.000036 0.000017 33O 1f-2 0.000250 0.000323 -0.000245 -0.000009 0.000008 -0.000005 33O 1f+3 -0.000515 -0.000660 0.000470 0.000000 -0.000006 0.000006 33O 1f-3 0.000029 0.000040 -0.000018 -0.000011 0.000019 -0.000003 34O 1s 0.027344 0.001300 0.032876 -0.044046 -0.001685 -0.000166 34O 2s 0.064612 0.003074 0.077710 -0.104150 -0.003986 -0.000410 34O 3s -0.092410 -0.004424 -0.111337 0.149949 0.005703 0.000908 34O 4s -0.123957 -0.005825 -0.148925 0.194900 0.007942 0.000083 34O 5s -0.038584 -0.001229 -0.049575 0.078372 0.000971 -0.006815 34O 1pz 0.004976 -0.000323 0.005620 -0.007164 -0.000139 -0.000098 34O 1px -0.032418 -0.001653 -0.039444 0.053646 0.001462 0.000841 34O 1py 0.002308 -0.000255 0.003486 -0.005334 -0.000239 -0.000126 34O 2pz 0.004781 -0.000231 0.005411 -0.006919 -0.000313 0.000080 34O 2px -0.025411 -0.001202 -0.031894 0.042579 0.001056 -0.000359 34O 2py 0.000454 -0.000284 0.001492 -0.002339 0.000237 -0.000152 34O 3pz 0.000286 -0.000348 -0.000059 -0.004556 0.000073 0.001549 34O 3px -0.003655 0.000106 -0.006684 0.006369 -0.003124 -0.001750 34O 3py 0.000447 -0.000096 0.001948 0.004660 0.000233 -0.000740 34O 1dz2 0.000842 0.000070 0.001027 -0.001350 -0.000052 -0.000023 34O 1dxz 0.000246 -0.000004 0.000279 -0.000429 -0.000031 0.000011 34O 1dyz -0.000055 -0.000007 -0.000064 0.000216 0.000010 -0.000040 34O 1dx2y2 -0.001487 -0.000065 -0.001790 0.002480 0.000090 0.000017 34O 1dxy 0.000533 0.000014 0.000675 -0.000808 -0.000012 -0.000035 34O 2dz2 0.002478 0.000184 0.003249 -0.004285 -0.000078 0.000259 34O 2dxz 0.000450 0.000117 0.000656 -0.000655 0.000182 -0.000076 34O 2dyz 0.000655 -0.000045 0.000897 -0.001550 -0.000096 0.000232 34O 2dx2y2 -0.003362 -0.000040 -0.004488 0.005510 0.000012 -0.000241 34O 2dxy 0.001640 0.000095 0.002067 -0.002999 -0.000296 0.000361 34O 1f0 -0.000198 -0.000018 -0.000283 0.000350 0.000007 -0.000005 34O 1f+1 0.000651 0.000023 0.000811 -0.001062 -0.000023 0.000011 34O 1f-1 -0.000147 -0.000007 -0.000194 0.000245 0.000006 -0.000002 34O 1f+2 0.000042 0.000011 0.000022 -0.000046 0.000014 -0.000003 34O 1f-2 -0.000039 -0.000005 -0.000062 0.000087 0.000024 -0.000019 34O 1f+3 0.000726 0.000027 0.000930 -0.001208 -0.000035 0.000017 34O 1f-3 -0.000402 -0.000027 -0.000503 0.000659 0.000022 -0.000012 35O 1s 0.033350 0.042628 -0.029504 0.000171 -0.001272 0.000343 35O 2s 0.078829 0.100820 -0.069762 0.000403 -0.003000 0.000783 35O 3s -0.112959 -0.145332 0.100145 -0.000550 0.004131 -0.000619 35O 4s -0.151064 -0.188747 0.133521 -0.000926 0.006874 -0.003059 35O 5s -0.048313 -0.075025 0.044831 0.000417 0.000415 -0.008201 35O 1pz 0.002269 0.001587 -0.001375 0.000351 0.000022 -0.000003 35O 1px -0.037878 -0.049403 0.033856 0.000019 0.000767 0.000840 35O 1py -0.012849 -0.017615 0.011875 -0.000614 0.000293 0.000304 35O 2pz 0.003457 0.003216 -0.002316 0.000322 -0.000306 0.000259 35O 2px -0.030336 -0.039691 0.027812 0.000032 0.000695 -0.000359 35O 2py -0.009186 -0.012829 0.008905 -0.000480 0.000152 -0.000055 35O 3pz 0.000135 0.005661 0.001229 -0.000047 0.000839 -0.000656 35O 3px -0.004196 -0.006084 0.005616 0.000272 -0.001683 -0.004565 35O 3py -0.001495 0.001306 0.002935 -0.000221 -0.000547 -0.001417 35O 1dz2 0.001066 0.001447 -0.000948 -0.000020 -0.000023 -0.000007 35O 1dxz -0.000182 -0.000208 0.000185 0.000004 -0.000005 -0.000028 35O 1dyz -0.000067 0.000045 0.000071 0.000015 0.000000 0.000030 35O 1dx2y2 -0.001391 -0.001816 0.001224 -0.000004 0.000053 0.000025 35O 1dxy -0.001359 -0.001717 0.001218 -0.000032 0.000038 0.000017 35O 2dz2 0.002209 0.002691 -0.002156 -0.000083 -0.000107 0.000273 35O 2dxz -0.000470 -0.000724 0.000368 -0.000082 0.000231 -0.000100 35O 2dyz -0.001226 -0.002056 0.001156 0.000046 0.000130 -0.000284 35O 2dx2y2 -0.003354 -0.004358 0.003317 -0.000132 -0.000016 -0.000391 35O 2dxy -0.003521 -0.004789 0.003408 0.000031 0.000214 -0.000501 35O 1f0 0.000113 0.000144 -0.000104 0.000007 -0.000011 0.000012 35O 1f+1 0.000713 0.000925 -0.000655 0.000007 -0.000022 0.000018 35O 1f-1 0.000441 0.000590 -0.000448 -0.000001 -0.000020 0.000017 35O 1f+2 -0.000094 -0.000132 0.000095 -0.000005 0.000025 -0.000022 35O 1f-2 -0.000098 -0.000112 0.000080 -0.000005 -0.000004 -0.000004 35O 1f+3 0.000409 0.000533 -0.000389 0.000017 0.000002 0.000006 35O 1f-3 0.000924 0.001191 -0.000852 -0.000004 -0.000018 0.000026 60 61 62 63 64 65 -0.97359 -0.96912 -0.96859 -0.96727 -0.72168 -0.72014 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s -0.001774 -0.000257 -0.000003 -0.000010 -0.001407 0.000161 0Rh 2s 0.006721 0.000974 0.000014 0.000047 0.005344 -0.000609 0Rh 3s -0.006038 -0.000874 -0.000008 -0.000029 -0.004802 0.000550 0Rh 4s -0.027462 -0.003977 -0.000058 -0.000197 -0.022196 0.002524 0Rh 5s 0.019753 0.002825 0.000066 0.000208 0.016614 -0.001837 0Rh 6s 0.039360 0.005786 0.000007 0.000059 0.032260 -0.003799 0Rh 7s -0.051487 -0.007279 -0.000065 0.000375 -0.027229 0.003023 0Rh 8s -0.014363 -0.002571 0.000890 0.000581 -0.003344 0.000500 0Rh 1pz 0.000112 0.000344 -0.006534 0.004114 0.000213 -0.000112 0Rh 1px -0.000525 -0.000011 -0.001231 0.002508 -0.000710 0.000070 0Rh 1py -0.000169 0.000170 -0.004572 -0.006536 -0.000178 -0.000019 0Rh 2pz -0.000376 -0.001152 0.021820 -0.013738 -0.000723 0.000379 0Rh 2px 0.001760 0.000037 0.004111 -0.008375 0.002406 -0.000237 0Rh 2py 0.000565 -0.000567 0.015269 0.021828 0.000602 0.000062 0Rh 3pz 0.000340 0.000886 -0.016232 0.010222 0.000699 -0.000311 0Rh 3px -0.001469 -0.000026 -0.003040 0.006230 -0.002261 0.000214 0Rh 3py -0.000451 0.000409 -0.011361 -0.016245 -0.000543 -0.000038 0Rh 4pz 0.000180 0.001283 -0.026436 0.016592 0.000368 -0.000398 0Rh 4px -0.001378 -0.000017 -0.005029 0.010139 -0.001454 0.000165 0Rh 4py -0.000547 0.000738 -0.018516 -0.026391 -0.000459 -0.000119 0Rh 5pz 0.000755 0.000230 0.000077 0.000067 0.000952 -0.000130 0Rh 5px -0.002118 -0.000208 0.000056 -0.000039 -0.002749 0.000303 0Rh 5py -0.000327 -0.000111 0.000073 -0.000058 -0.000472 0.000082 0Rh 6pz -0.010749 -0.001535 -0.008107 0.004961 -0.002410 0.001335 0Rh 6px 0.030461 0.004407 -0.001220 0.003753 0.009278 -0.001527 0Rh 6py 0.004145 0.001299 -0.005573 -0.007780 0.001333 0.000946 0Rh 1dz2 0.002496 -0.003060 -0.000365 0.000160 0.002103 0.003134 0Rh 1dxz 0.002627 0.000704 0.000490 -0.000217 0.002275 -0.000594 0Rh 1dyz 0.001715 -0.008169 -0.000333 -0.000300 0.001427 0.008237 0Rh 1dx2y2 -0.003893 -0.001868 -0.000066 -0.000353 -0.003372 0.001660 0Rh 1dxy -0.001103 -0.003473 0.000227 0.000445 -0.000981 0.003432 0Rh 2dz2 -0.000052 0.000044 -0.000001 0.000002 -0.000052 -0.000031 0Rh 2dxz -0.000060 -0.000008 0.000011 -0.000003 -0.000057 0.000007 0Rh 2dyz -0.000036 0.000130 0.000004 -0.000002 -0.000028 -0.000098 0Rh 2dx2y2 0.000083 0.000036 -0.000001 -0.000005 0.000081 -0.000029 0Rh 2dxy 0.000024 0.000058 0.000009 0.000010 0.000021 -0.000041 0Rh 3dz2 -0.003087 0.003889 0.000484 -0.000221 -0.002749 -0.004303 0Rh 3dxz -0.003235 -0.000904 -0.000685 0.000301 -0.002973 0.000811 0Rh 3dyz -0.002125 0.010334 0.000431 0.000406 -0.001897 -0.011244 0Rh 3dx2y2 0.004796 0.002339 0.000095 0.000492 0.004406 -0.002233 0Rh 3dxy 0.001359 0.004382 -0.000334 -0.000640 0.001295 -0.004685 0Rh 4dz2 -0.005154 0.006202 0.000687 -0.000281 -0.004264 -0.006005 0Rh 4dxz -0.005472 -0.001394 -0.000839 0.000382 -0.004620 0.001136 0Rh 4dyz -0.003565 0.016627 0.000646 0.000566 -0.002863 -0.015923 0Rh 4dx2y2 0.008102 0.003845 0.000104 0.000622 0.006851 -0.003281 0Rh 4dxy 0.002295 0.007106 -0.000361 -0.000726 0.001950 -0.006641 0Rh 5dz2 -0.004584 0.005366 0.000688 -0.000333 -0.003810 -0.005857 0Rh 5dxz -0.004719 -0.001376 -0.000984 0.000408 -0.004210 0.001148 0Rh 5dyz -0.003082 0.014294 0.000749 0.000374 -0.002551 -0.015114 0Rh 5dx2y2 0.007148 0.003298 0.000212 0.000635 0.006310 -0.002983 0Rh 5dxy 0.001958 0.006009 -0.000386 -0.000995 0.001975 -0.006316 0Rh 1f0 -0.000150 0.000092 0.000429 0.001467 -0.000127 -0.000107 0Rh 1f+1 0.000152 -0.000186 0.000719 -0.000167 0.000112 0.000149 0Rh 1f-1 0.000027 0.000073 0.002637 0.000428 0.000012 -0.000149 0Rh 1f+2 0.000164 0.000225 -0.001525 0.001824 0.000157 -0.000146 0Rh 1f-2 0.000137 -0.000404 0.000872 0.001588 0.000107 0.000356 0Rh 1f+3 0.000227 0.000056 0.000377 -0.001476 0.000189 -0.000048 0Rh 1f-3 0.000124 0.000238 0.000359 0.000721 0.000097 -0.000229 1Rh 1s 0.001774 0.000257 -0.000004 -0.000004 -0.001407 0.000161 1Rh 2s -0.006721 -0.000974 0.000017 0.000023 0.005345 -0.000608 1Rh 3s 0.006038 0.000874 -0.000011 -0.000009 -0.004802 0.000549 1Rh 4s 0.027462 0.003977 -0.000071 -0.000101 -0.022199 0.002518 1Rh 5s -0.019755 -0.002827 0.000077 0.000138 0.016617 -0.001832 1Rh 6s -0.039358 -0.005779 0.000021 -0.000076 0.032264 -0.003792 1Rh 7s 0.051476 0.007263 -0.000105 0.000541 -0.027230 0.003030 1Rh 8s 0.014387 0.002520 0.000882 0.000674 -0.003391 0.000433 1Rh 1pz 0.000203 -0.000176 0.006540 -0.004113 -0.000286 0.000005 1Rh 1px -0.000502 -0.000099 0.001232 -0.002509 0.000691 -0.000076 1Rh 1py -0.000129 -0.000257 0.004572 0.006534 0.000155 -0.000140 1Rh 2pz -0.000681 0.000585 -0.021841 0.013736 0.000969 -0.000019 1Rh 2px 0.001685 0.000330 -0.004114 0.008379 -0.002341 0.000255 1Rh 2py 0.000431 0.000859 -0.015270 -0.021819 -0.000523 0.000471 1Rh 3pz 0.000569 -0.000405 0.016250 -0.010220 -0.000889 0.000034 1Rh 3px -0.001413 -0.000244 0.003045 -0.006232 0.002211 -0.000227 1Rh 3py -0.000352 -0.000652 0.011361 0.016238 0.000482 -0.000373 1Rh 4pz 0.000546 -0.000821 0.026453 -0.016590 -0.000672 -0.000046 1Rh 4px -0.001289 -0.000375 0.005027 -0.010142 0.001373 -0.000190 1Rh 4py -0.000386 -0.000990 0.018518 0.026381 0.000361 -0.000541 1Rh 5pz 0.000762 0.000238 -0.000064 -0.000064 -0.000953 0.000131 1Rh 5px -0.002115 -0.000208 -0.000049 0.000034 0.002752 -0.000298 1Rh 5py -0.000327 -0.000105 -0.000078 0.000055 0.000475 -0.000079 1Rh 6pz -0.010644 -0.002206 0.008082 -0.004986 0.002459 -0.001265 1Rh 6px 0.030469 0.004348 0.001236 -0.003652 -0.009304 0.001496 1Rh 6py 0.004232 0.000734 0.005624 0.007767 -0.001346 -0.000809 1Rh 1dz2 -0.002500 0.003076 -0.000078 0.000178 0.002114 0.003149 1Rh 1dxz -0.002621 -0.000743 0.000459 -0.000229 0.002258 -0.000622 1Rh 1dyz -0.001716 0.008170 0.000378 -0.000247 0.001429 0.008249 1Rh 1dx2y2 0.003895 0.001868 0.000039 -0.000330 -0.003377 0.001664 1Rh 1dxy 0.001106 0.003439 0.000503 0.000473 -0.000988 0.003390 1Rh 2dz2 0.000052 -0.000044 -0.000006 0.000002 -0.000052 -0.000031 1Rh 2dxz 0.000060 0.000007 0.000011 -0.000003 -0.000057 0.000007 1Rh 2dyz 0.000036 -0.000130 -0.000008 -0.000003 -0.000028 -0.000098 1Rh 2dx2y2 -0.000083 -0.000036 -0.000003 -0.000006 0.000081 -0.000028 1Rh 2dxy -0.000024 -0.000059 0.000005 0.000009 0.000021 -0.000042 1Rh 3dz2 0.003093 -0.003911 0.000120 -0.000244 -0.002765 -0.004324 1Rh 3dxz 0.003227 0.000958 -0.000643 0.000315 -0.002948 0.000853 1Rh 3dyz 0.002126 -0.010337 -0.000469 0.000339 -0.001899 -0.011260 1Rh 3dx2y2 -0.004798 -0.002341 -0.000038 0.000462 0.004413 -0.002240 1Rh 3dxy -0.001363 -0.004334 -0.000682 -0.000675 0.001304 -0.004622 1Rh 4dz2 0.005161 -0.006231 0.000105 -0.000315 -0.004286 -0.006033 1Rh 4dxz 0.005462 0.001460 -0.000780 0.000405 -0.004590 0.001186 1Rh 4dyz 0.003569 -0.016628 -0.000802 0.000459 -0.002867 -0.015944 1Rh 4dx2y2 -0.008105 -0.003841 -0.000113 0.000574 0.006861 -0.003283 1Rh 4dxy -0.002299 -0.007047 -0.000924 -0.000784 0.001962 -0.006571 1Rh 5dz2 0.004590 -0.005393 0.000174 -0.000367 -0.003831 -0.005884 1Rh 5dxz 0.004705 0.001455 -0.000920 0.000429 -0.004170 0.001217 1Rh 5dyz 0.003080 -0.014307 -0.000509 0.000283 -0.002548 -0.015133 1Rh 5dx2y2 -0.007150 -0.003312 0.000032 0.000589 0.006315 -0.003006 1Rh 5dxy -0.001965 -0.005947 -0.000867 -0.001043 0.001991 -0.006209 1Rh 1f0 -0.000153 0.000138 -0.000416 -0.001466 0.000125 0.000129 1Rh 1f+1 0.000141 -0.000125 -0.000734 0.000166 -0.000106 -0.000138 1Rh 1f-1 -0.000004 0.000298 -0.002622 -0.000427 0.000012 0.000215 1Rh 1f+2 0.000185 0.000110 0.001538 -0.001822 -0.000176 0.000132 1Rh 1f-2 0.000129 -0.000318 -0.000905 -0.001590 -0.000102 -0.000321 1Rh 1f+3 0.000219 0.000077 -0.000374 0.001477 -0.000181 0.000046 1Rh 1f-3 0.000122 0.000271 -0.000340 -0.000718 -0.000097 0.000237 2C 1s -0.000152 0.000119 -0.000183 0.000000 -0.048479 -0.039156 2C 2s -0.000305 0.000247 -0.000385 -0.000000 -0.103862 -0.083895 2C 3s 0.000410 -0.000433 0.000609 0.000043 0.158276 0.127622 2C 4s 0.000470 0.000144 0.000044 -0.000257 0.184997 0.151589 2C 5s -0.007148 0.000440 0.001222 0.000282 0.027366 0.008711 2C 1pz 0.001950 -0.001565 0.002390 -0.000013 0.015404 0.011923 2C 1px -0.005270 0.004291 -0.006520 0.000039 0.001772 0.001311 2C 1py -0.000810 0.000669 -0.001011 0.000011 0.010693 0.008306 2C 2pz 0.001333 -0.001109 0.001538 -0.000084 0.011861 0.010091 2C 2px -0.004710 0.003480 -0.005365 -0.000012 0.001061 0.001036 2C 2py -0.000952 0.000659 -0.001082 -0.000087 0.008104 0.006848 2C 3pz -0.000694 -0.000131 0.000628 -0.000158 0.002314 -0.001681 2C 3px -0.001068 0.000561 -0.001355 0.000154 0.001112 0.000055 2C 3py -0.000914 0.000144 -0.000135 0.000171 0.002324 -0.000537 2C 1dz2 0.000526 -0.000423 0.000603 -0.000001 0.000870 0.000694 2C 1dxz -0.000813 0.000653 -0.000940 -0.000000 0.000381 0.000310 2C 1dyz 0.000013 -0.000012 0.000030 -0.000006 0.001360 0.001080 2C 1dx2y2 -0.000143 0.000115 -0.000148 -0.000006 -0.000414 -0.000345 2C 1dxy -0.000623 0.000500 -0.000715 0.000012 0.000300 0.000232 2C 2dz2 0.001084 -0.000773 0.001222 -0.000047 0.001735 0.001614 2C 2dxz -0.001993 0.001335 -0.002159 0.000036 0.000629 0.000511 2C 2dyz 0.000154 -0.000074 -0.000113 -0.000024 0.002494 0.002362 2C 2dx2y2 0.000063 0.000005 -0.000153 0.000041 -0.000668 -0.000548 2C 2dxy -0.001467 0.001006 -0.001681 -0.000030 0.000409 0.000409 2C 1f0 0.000507 -0.000400 0.000583 -0.000002 0.000950 0.000784 2C 1f+1 -0.000490 0.000395 -0.000573 -0.000001 0.000569 0.000486 2C 1f-1 0.000243 -0.000200 0.000289 -0.000009 0.002244 0.001863 2C 1f+2 -0.000171 0.000124 -0.000187 0.000006 -0.002389 -0.001963 2C 1f-2 -0.000738 0.000592 -0.000832 0.000006 0.002223 0.001802 2C 1f+3 -0.000285 0.000229 -0.000352 0.000005 -0.001400 -0.001120 2C 1f-3 0.000147 -0.000111 0.000163 -0.000003 -0.000122 -0.000079 3C 1s -0.000083 -0.000114 -0.000001 0.000141 -0.037916 0.048712 3C 2s -0.000166 -0.000237 -0.000003 0.000299 -0.081251 0.104397 3C 3s 0.000168 0.000405 0.000026 -0.000475 0.124450 -0.159639 3C 4s 0.000706 0.000212 -0.000125 -0.000346 0.142112 -0.185190 3C 5s -0.004540 -0.002080 -0.000623 0.001243 0.027810 -0.020463 3C 1pz 0.001333 0.001857 0.000058 -0.002317 0.008155 -0.010126 3C 1px -0.003843 -0.005372 -0.000170 0.006696 0.004024 -0.004925 3C 1py -0.000851 -0.001183 -0.000033 0.001478 -0.011725 0.014419 3C 2pz 0.001281 0.001693 0.000046 -0.002003 0.006151 -0.008144 3C 2px -0.003364 -0.004352 -0.000199 0.005329 0.002529 -0.003493 3C 2py -0.000822 -0.001069 -0.000033 0.001156 -0.008738 0.011807 3C 3pz -0.000133 0.000016 -0.000064 -0.000254 0.001476 0.000577 3C 3px -0.000898 -0.000856 0.000038 0.001487 0.001919 -0.000865 3C 3py 0.000444 0.000131 0.000281 -0.000004 -0.003018 -0.000268 3C 1dz2 0.000213 0.000293 0.000004 -0.000345 -0.000212 0.000255 3C 1dxz -0.000256 -0.000355 -0.000001 0.000433 0.000352 -0.000458 3C 1dyz -0.000279 -0.000388 -0.000011 0.000461 -0.001036 0.001309 3C 1dx2y2 -0.000395 -0.000545 -0.000017 0.000633 -0.000674 0.000865 3C 1dxy 0.000620 0.000856 0.000033 -0.000996 -0.000624 0.000794 3C 2dz2 0.000498 0.000609 0.000044 -0.000795 -0.000242 0.000434 3C 2dxz -0.000813 -0.000900 -0.000072 0.000987 0.000856 -0.001149 3C 2dyz -0.000785 -0.000887 -0.000037 0.000959 -0.001185 0.001867 3C 2dx2y2 -0.000885 -0.001104 -0.000037 0.001409 -0.001152 0.001645 3C 2dxy 0.001261 0.001520 0.000037 -0.002068 -0.001019 0.001472 3C 1f0 0.000014 0.000018 -0.000003 -0.000026 -0.000148 0.000218 3C 1f+1 0.000065 0.000080 0.000004 -0.000106 0.000294 -0.000390 3C 1f-1 -0.000249 -0.000350 -0.000011 0.000400 0.000602 -0.000765 3C 1f+2 -0.000357 -0.000492 -0.000014 0.000602 -0.002431 0.003153 3C 1f-2 0.000322 0.000465 0.000016 -0.000545 -0.001858 0.002427 3C 1f+3 -0.000355 -0.000490 -0.000021 0.000567 0.000880 -0.001177 3C 1f-3 -0.000470 -0.000639 -0.000021 0.000739 -0.000179 0.000268 4C 1s -0.000324 0.000238 -0.000365 -0.000001 -0.018721 -0.014364 4C 2s -0.000677 0.000497 -0.000767 -0.000002 -0.040438 -0.031025 4C 3s 0.001162 -0.000817 0.001283 0.000017 0.067217 0.051200 4C 4s -0.000077 -0.000305 0.000537 -0.000187 0.065372 0.052394 4C 5s 0.002538 -0.000390 -0.000610 -0.000710 0.007588 0.015082 4C 1pz 0.029966 -0.024034 0.036656 -0.000187 -0.063756 -0.051884 4C 1px -0.093366 0.074952 -0.114307 0.000616 -0.012583 -0.010259 4C 1py -0.017053 0.013693 -0.020893 0.000122 -0.042354 -0.034413 4C 2pz 0.011810 -0.007501 0.012402 -0.000263 -0.042583 -0.032466 4C 2px -0.038850 0.024806 -0.041231 0.000209 -0.008856 -0.006590 4C 2py -0.007298 0.004686 -0.007781 -0.000053 -0.028392 -0.021535 4C 3pz -0.004144 0.000573 0.001424 -0.000165 0.002503 -0.005605 4C 3px 0.004457 -0.002266 -0.002365 -0.000253 0.001097 -0.000215 4C 3py -0.000906 -0.000409 -0.000095 -0.000219 0.001677 -0.003396 4C 1dz2 0.004176 -0.003269 0.005084 -0.000015 0.001924 0.001626 4C 1dxz -0.007141 0.005582 -0.008666 0.000024 0.001282 0.001134 4C 1dyz 0.000254 -0.000206 0.000324 -0.000023 0.002484 0.002051 4C 1dx2y2 -0.000481 0.000394 -0.000610 -0.000021 -0.001381 -0.001254 4C 1dxy -0.005408 0.004234 -0.006574 0.000077 0.000292 0.000196 4C 2dz2 0.002561 -0.000845 0.001188 0.000027 0.003709 0.002579 4C 2dxz -0.003710 0.001011 -0.001569 0.000074 0.002252 0.001480 4C 2dyz 0.000445 -0.000228 0.000339 0.000048 0.003931 0.002649 4C 2dx2y2 -0.000697 0.000285 -0.000351 -0.000050 -0.003267 -0.002253 4C 2dxy -0.003118 0.000939 -0.001368 0.000003 -0.000136 -0.000124 4C 1f0 -0.000222 0.000176 -0.000216 0.000024 -0.000128 -0.000096 4C 1f+1 0.000042 -0.000061 0.000031 -0.000024 -0.000163 -0.000116 4C 1f-1 0.000475 -0.000289 0.000454 -0.000023 -0.001222 -0.000926 4C 1f+2 0.000897 -0.000585 0.000879 -0.000018 0.000470 0.000347 4C 1f-2 -0.000629 0.000355 -0.000626 0.000016 -0.000483 -0.000366 4C 1f+3 0.000928 -0.000626 0.000917 0.000019 -0.000166 -0.000121 4C 1f-3 0.001008 -0.000651 0.000999 0.000004 0.000130 0.000108 5C 1s -0.000100 -0.000128 0.000008 0.000146 -0.014772 0.018036 5C 2s -0.000214 -0.000273 0.000017 0.000316 -0.031901 0.038953 5C 3s 0.000358 0.000375 0.000039 -0.000375 0.052583 -0.063769 5C 4s 0.000096 0.000678 -0.000515 -0.001407 0.053770 -0.068443 5C 5s 0.002471 0.000891 -0.000718 -0.001353 0.001843 -0.013476 5C 1pz 0.022027 0.030386 0.000985 -0.037823 -0.029059 0.037562 5C 1px -0.068362 -0.094324 -0.003067 0.117473 -0.018692 0.024182 5C 1py -0.012518 -0.017266 -0.000558 0.021479 0.049661 -0.064263 5C 2pz 0.009475 0.010568 0.000296 -0.013483 -0.019761 0.024051 5C 2px -0.029580 -0.032874 -0.001189 0.041691 -0.012664 0.015367 5C 2py -0.005544 -0.006166 -0.000082 0.007925 0.033975 -0.041362 5C 3pz -0.002116 -0.001767 -0.000660 -0.000305 0.002433 0.001370 5C 3px 0.003282 0.003446 -0.000220 0.002791 0.001957 0.000470 5C 3py 0.001955 0.001413 0.001004 -0.000421 -0.004452 -0.002353 5C 1dz2 0.001879 0.002520 0.000056 -0.003169 -0.000192 0.000159 5C 1dxz -0.002733 -0.003672 -0.000074 0.004619 0.000965 -0.001376 5C 1dyz -0.002423 -0.003263 -0.000108 0.004110 -0.001596 0.002053 5C 1dx2y2 -0.003122 -0.004198 -0.000137 0.005295 -0.001748 0.002434 5C 1dxy 0.005178 0.006955 0.000259 -0.008758 -0.001324 0.001778 5C 2dz2 0.001078 0.000633 0.000119 -0.000420 -0.000022 0.000124 5C 2dxz -0.001642 -0.001053 -0.000026 0.000924 0.001943 -0.002045 5C 2dyz -0.001397 -0.000838 -0.000005 0.000670 -0.002436 0.002684 5C 2dx2y2 -0.001851 -0.001085 -0.000139 0.000671 -0.003358 0.003624 5C 2dxy 0.003131 0.001941 0.000064 -0.001531 -0.002496 0.002797 5C 1f0 -0.000598 -0.000676 -0.000042 0.000783 0.000648 -0.000791 5C 1f+1 0.000618 0.000694 0.000052 -0.000811 0.000067 -0.000093 5C 1f-1 -0.000243 -0.000238 0.000005 0.000299 0.000045 -0.000048 5C 1f+2 0.000290 0.000379 0.000028 -0.000405 0.000654 -0.000786 5C 1f-2 0.000846 0.000920 0.000013 -0.001115 0.000523 -0.000620 5C 1f+3 0.000515 0.000626 0.000006 -0.000673 -0.000513 0.000613 5C 1f-3 -0.000019 0.000042 -0.000014 -0.000006 0.000159 -0.000182 6C 1s 0.000101 0.000127 0.000018 0.000150 -0.014662 0.017701 6C 2s 0.000215 0.000271 0.000038 0.000323 -0.031665 0.038228 6C 3s -0.000359 -0.000381 0.000010 -0.000386 0.052204 -0.062587 6C 4s -0.000113 -0.000621 -0.000578 -0.001428 0.053301 -0.067115 6C 5s -0.002531 -0.000834 -0.000744 -0.001351 0.001763 -0.013222 6C 1pz 0.021956 0.030132 0.001285 0.038115 0.028826 -0.036806 6C 1px -0.068088 -0.093459 -0.003972 -0.118280 0.018548 -0.023719 6C 1py -0.012455 -0.017089 -0.000730 -0.021604 -0.049245 0.063029 6C 2pz 0.009461 0.010473 0.000478 0.013589 0.019613 -0.023562 6C 2px -0.029496 -0.032582 -0.001218 -0.041986 0.012578 -0.015079 6C 2py -0.005531 -0.006089 -0.000370 -0.007973 -0.033704 0.040567 6C 3pz -0.002127 -0.001827 0.000554 0.000302 -0.002404 -0.001375 6C 3px 0.003283 0.003446 0.000457 -0.002730 -0.001952 -0.000514 6C 3py 0.001963 0.001500 -0.000928 0.000409 0.004457 0.002515 6C 1dz2 -0.001872 -0.002495 -0.000132 -0.003192 -0.000191 0.000159 6C 1dxz 0.002721 0.003631 0.000199 0.004646 0.000958 -0.001350 6C 1dyz 0.002415 0.003234 0.000135 0.004140 -0.001583 0.002012 6C 1dx2y2 0.003109 0.004158 0.000175 0.005330 -0.001731 0.002384 6C 1dxy -0.005158 -0.006895 -0.000259 -0.008820 -0.001314 0.001745 6C 2dz2 -0.001081 -0.000644 0.000078 -0.000431 -0.000028 0.000100 6C 2dxz 0.001647 0.001049 0.000046 0.000944 0.001919 -0.002004 6C 2dyz 0.001398 0.000832 0.000050 0.000679 -0.002414 0.002646 6C 2dx2y2 0.001848 0.001092 -0.000069 0.000681 -0.003342 0.003542 6C 2dxy -0.003130 -0.001923 -0.000067 -0.001546 -0.002467 0.002724 6C 1f0 -0.000596 -0.000672 -0.000008 -0.000788 -0.000643 0.000775 6C 1f+1 0.000615 0.000690 -0.000001 0.000817 -0.000067 0.000090 6C 1f-1 -0.000244 -0.000235 -0.000022 -0.000302 -0.000045 0.000046 6C 1f+2 0.000290 0.000378 0.000001 0.000410 -0.000649 0.000773 6C 1f-2 0.000844 0.000910 0.000054 0.001123 -0.000520 0.000609 6C 1f+3 0.000515 0.000621 0.000040 0.000680 0.000509 -0.000603 6C 1f-3 -0.000019 0.000040 0.000017 0.000005 -0.000159 0.000180 7C 1s 0.000332 -0.000215 -0.000401 -0.000002 -0.018370 -0.013540 7C 2s 0.000694 -0.000448 -0.000844 -0.000003 -0.039681 -0.029246 7C 3s -0.001192 0.000735 0.001411 0.000021 0.065957 0.048247 7C 4s 0.000081 0.000273 0.000581 -0.000197 0.064115 0.049420 7C 5s -0.002576 0.000429 -0.000555 -0.000708 0.007281 0.014465 7C 1pz 0.029483 -0.020850 -0.038888 0.000101 0.062362 0.048741 7C 1px -0.091916 0.065066 0.121355 -0.000346 0.012238 0.009579 7C 1py -0.016759 0.011867 0.022145 -0.000072 0.041692 0.032552 7C 2pz 0.011656 -0.006427 -0.013139 0.000239 0.041665 0.030469 7C 2px -0.038364 0.021238 0.043672 -0.000133 0.008627 0.006139 7C 2py -0.007200 0.004006 0.008231 0.000066 0.027939 0.020336 7C 3pz -0.004163 0.000708 -0.001310 0.000163 -0.002535 0.005688 7C 3px 0.004504 -0.002467 0.002088 0.000259 -0.001151 0.000167 7C 3py -0.000919 -0.000403 0.000074 0.000223 -0.001687 0.003539 7C 1dz2 -0.004101 0.002822 0.005379 -0.000003 0.001870 0.001519 7C 1dxz 0.007026 -0.004828 -0.009185 0.000004 0.001246 0.001060 7C 1dyz -0.000257 0.000183 0.000353 -0.000022 0.002442 0.001938 7C 1dx2y2 0.000462 -0.000334 -0.000633 -0.000022 -0.001361 -0.001187 7C 1dxy 0.005337 -0.003675 -0.006990 0.000062 0.000287 0.000185 7C 2dz2 -0.002550 0.000739 0.001288 0.000027 0.003597 0.002398 7C 2dxz 0.003697 -0.000871 -0.001701 0.000076 0.002184 0.001365 7C 2dyz -0.000448 0.000199 0.000366 0.000047 0.003866 0.002488 7C 2dx2y2 0.000694 -0.000255 -0.000381 -0.000052 -0.003178 -0.002073 7C 2dxy 0.003120 -0.000821 -0.001495 0.000004 -0.000109 -0.000092 7C 1f0 -0.000223 0.000159 0.000237 -0.000023 0.000120 0.000088 7C 1f+1 0.000045 -0.000060 -0.000040 0.000024 0.000161 0.000115 7C 1f-1 0.000471 -0.000250 -0.000484 0.000022 0.001200 0.000875 7C 1f+2 0.000889 -0.000510 -0.000939 0.000017 -0.000472 -0.000340 7C 1f-2 -0.000624 0.000302 0.000664 -0.000015 0.000473 0.000343 7C 1f+3 0.000915 -0.000545 -0.000976 -0.000021 0.000165 0.000116 7C 1f-3 0.000994 -0.000563 -0.001061 -0.000006 -0.000120 -0.000091 8C 1s 0.000085 0.000116 0.000008 0.000145 -0.037608 0.047770 8C 2s 0.000169 0.000240 0.000015 0.000309 -0.080591 0.102379 8C 3s -0.000168 -0.000409 -0.000006 -0.000487 0.123439 -0.156555 8C 4s -0.000729 -0.000205 -0.000136 -0.000363 0.140950 -0.181591 8C 5s 0.004614 0.002143 -0.000533 0.001198 0.027654 -0.019944 8C 1pz 0.001330 0.001844 0.000081 0.002338 -0.008085 0.009929 8C 1px -0.003827 -0.005321 -0.000231 -0.006740 -0.003979 0.004814 8C 1py -0.000850 -0.001175 -0.000055 -0.001492 0.011650 -0.014164 8C 2pz 0.001279 0.001677 0.000082 0.002020 -0.006093 0.007993 8C 2px -0.003349 -0.004317 -0.000125 -0.005365 -0.002510 0.003434 8C 2py -0.000824 -0.001061 -0.000048 -0.001169 0.008690 -0.011599 8C 3pz -0.000133 0.000014 0.000065 0.000269 -0.001486 -0.000612 8C 3px -0.000904 -0.000847 -0.000089 -0.001503 -0.001873 0.000771 8C 3py 0.000450 0.000155 -0.000282 -0.000010 0.003028 0.000247 8C 1dz2 -0.000213 -0.000291 -0.000018 -0.000349 -0.000210 0.000248 8C 1dxz 0.000255 0.000351 0.000025 0.000436 0.000349 -0.000450 8C 1dyz 0.000278 0.000384 0.000018 0.000465 -0.001027 0.001283 8C 1dx2y2 0.000394 0.000541 0.000024 0.000639 -0.000667 0.000847 8C 1dxy -0.000616 -0.000848 -0.000030 -0.001002 -0.000618 0.000778 8C 2dz2 -0.000493 -0.000603 -0.000001 -0.000802 -0.000238 0.000423 8C 2dxz 0.000809 0.000896 -0.000007 0.000995 0.000839 -0.001114 8C 2dyz 0.000788 0.000884 0.000027 0.000968 -0.001188 0.001854 8C 2dx2y2 0.000880 0.001091 0.000044 0.001418 -0.001150 0.001622 8C 2dxy -0.001259 -0.001507 -0.000075 -0.002084 -0.001008 0.001440 8C 1f0 0.000014 0.000017 0.000005 0.000026 0.000140 -0.000206 8C 1f+1 0.000066 0.000080 0.000002 0.000108 -0.000263 0.000347 8C 1f-1 -0.000248 -0.000348 -0.000015 -0.000403 -0.000592 0.000742 8C 1f+2 -0.000356 -0.000487 -0.000022 -0.000607 0.002404 -0.003082 8C 1f-2 0.000320 0.000461 0.000019 0.000548 0.001864 -0.002407 8C 1f+3 -0.000352 -0.000485 -0.000015 -0.000571 -0.000860 0.001138 8C 1f-3 -0.000468 -0.000634 -0.000026 -0.000744 0.000190 -0.000279 9C 1s 0.000153 -0.000105 -0.000197 0.000000 -0.047521 -0.036867 9C 2s 0.000306 -0.000218 -0.000415 -0.000001 -0.101807 -0.078991 9C 3s -0.000407 0.000386 0.000655 0.000044 0.155145 0.120162 9C 4s -0.000495 -0.000141 0.000058 -0.000254 0.181308 0.142706 9C 5s 0.007265 -0.000568 0.001071 0.000279 0.027064 0.007729 9C 1pz 0.001921 -0.001360 -0.002539 0.000007 -0.015106 -0.011234 9C 1px -0.005188 0.003728 0.006923 -0.000023 -0.001721 -0.001222 9C 1py -0.000793 0.000579 0.001069 -0.000009 -0.010477 -0.007815 9C 2pz 0.001320 -0.000982 -0.001651 0.000078 -0.011643 -0.009520 9C 2px -0.004643 0.003013 0.005698 0.000020 -0.001051 -0.001002 9C 2py -0.000934 0.000559 0.001140 0.000089 -0.007921 -0.006429 9C 3pz -0.000706 -0.000075 -0.000630 0.000159 -0.002336 0.001685 9C 3px -0.001054 0.000452 0.001422 -0.000145 -0.001046 0.000063 9C 3py -0.000912 0.000136 0.000157 -0.000174 -0.002371 0.000536 9C 1dz2 -0.000516 0.000369 0.000641 0.000000 0.000845 0.000647 9C 1dxz 0.000798 -0.000569 -0.000999 -0.000003 0.000364 0.000285 9C 1dyz -0.000014 0.000011 0.000033 -0.000006 0.001336 0.001018 9C 1dx2y2 0.000139 -0.000101 -0.000157 -0.000006 -0.000406 -0.000326 9C 1dxy 0.000619 -0.000441 -0.000768 0.000011 0.000300 0.000222 9C 2dz2 -0.001071 0.000669 0.001297 -0.000045 0.001703 0.001527 9C 2dxz 0.001970 -0.001149 -0.002286 0.000033 0.000631 0.000481 9C 2dyz -0.000160 0.000087 -0.000099 -0.000024 0.002452 0.002246 9C 2dx2y2 -0.000063 0.000007 -0.000152 0.000041 -0.000677 -0.000528 9C 2dxy 0.001444 -0.000859 -0.001785 -0.000032 0.000382 0.000374 9C 1f0 0.000496 -0.000347 -0.000617 0.000000 -0.000919 -0.000729 9C 1f+1 -0.000480 0.000344 0.000607 0.000002 -0.000565 -0.000464 9C 1f-1 0.000241 -0.000176 -0.000311 0.000008 -0.002179 -0.001739 9C 1f+2 -0.000166 0.000106 0.000197 -0.000005 0.002400 0.001894 9C 1f-2 -0.000730 0.000521 0.000891 -0.000004 -0.002150 -0.001673 9C 1f+3 -0.000284 0.000201 0.000377 -0.000005 0.001342 0.001031 9C 1f-3 0.000146 -0.000098 -0.000172 0.000002 0.000182 0.000121 10H 1s -0.001554 0.001282 -0.001928 0.000009 0.038336 0.031051 10H 2s -0.001807 0.001162 -0.001895 0.000022 0.040344 0.032905 10H 3s 0.000877 0.000461 -0.000037 -0.000207 0.005411 0.004994 10H 1pz -0.000338 0.000271 -0.000396 0.000000 0.003205 0.002559 10H 1px 0.000112 -0.000055 0.000146 -0.000008 -0.004502 -0.003637 10H 1py -0.000230 0.000195 -0.000283 0.000010 0.001117 0.000878 11H 1s 0.000613 -0.000525 0.000817 -0.000014 0.039406 0.031953 11H 2s 0.001200 -0.000753 0.000696 -0.000004 0.041797 0.034277 11H 3s 0.001013 -0.000273 -0.000140 -0.000206 0.006395 0.005625 11H 1pz 0.000271 -0.000219 0.000250 -0.000005 0.003849 0.003091 11H 1px -0.000019 0.000024 -0.000076 0.000005 0.003710 0.003026 11H 1py -0.000088 0.000070 -0.000108 0.000006 -0.002325 -0.001918 12H 1s 0.001089 -0.000921 0.001418 0.000007 0.039066 0.031664 12H 2s 0.001830 -0.001168 0.001324 -0.000032 0.041376 0.033877 12H 3s 0.000883 -0.000383 -0.000200 0.000164 0.006838 0.006053 12H 1pz 0.000100 -0.000087 0.000080 -0.000001 -0.000920 -0.000785 12H 1px -0.000018 0.000026 -0.000076 0.000000 0.002426 0.001980 12H 1py 0.000380 -0.000299 0.000379 -0.000002 0.005151 0.004154 13H 1s -0.001104 -0.001566 -0.000059 0.001948 0.030004 -0.038664 13H 2s -0.001322 -0.001427 -0.000025 0.001746 0.032229 -0.041831 13H 3s 0.000739 -0.000296 -0.000162 -0.000115 0.003243 -0.004819 13H 1pz -0.000218 -0.000284 -0.000000 0.000372 0.003073 -0.003922 13H 1px -0.000002 -0.000051 -0.000002 0.000019 -0.002922 0.003773 13H 1py 0.000208 0.000293 0.000012 -0.000332 -0.001780 0.002256 14H 1s 0.000872 0.001262 0.000053 -0.001602 0.030375 -0.039158 14H 2s 0.001525 0.001772 0.000040 -0.001648 0.032054 -0.041693 14H 3s 0.000494 0.000553 0.000168 0.000009 0.004663 -0.006580 14H 1pz 0.000273 0.000389 0.000009 -0.000434 0.002368 -0.003014 14H 1px 0.000152 0.000197 0.000008 -0.000180 0.003827 -0.004930 14H 1py -0.000083 -0.000126 -0.000003 0.000097 0.000436 -0.000603 15H 1s 0.000315 0.000460 0.000007 -0.000600 0.030945 -0.039913 15H 2s 0.000647 0.000736 0.000045 -0.000475 0.032783 -0.042715 15H 3s 0.000622 0.000439 -0.000113 -0.000076 0.004786 -0.006696 15H 1pz -0.000018 -0.000019 -0.000004 0.000016 -0.002757 0.003601 15H 1px -0.000098 -0.000146 0.000005 0.000193 0.000907 -0.001165 15H 1py -0.000147 -0.000209 -0.000004 0.000177 -0.003654 0.004678 16H 1s 0.002711 0.000396 0.000286 0.000449 0.000310 -0.000215 16H 2s 0.002218 0.000766 0.001052 0.000528 0.000340 -0.000641 16H 3s -0.000117 0.000555 -0.000768 0.000190 -0.000386 -0.000466 16H 1pz 0.000462 0.000089 0.000186 0.000141 0.000054 -0.000071 16H 1px 0.000074 -0.000109 0.000141 0.000006 0.000072 0.000071 16H 1py 0.000159 -0.000003 0.000105 -0.000012 0.000033 -0.000003 17H 1s 0.002773 0.000194 0.000579 0.000201 0.000408 0.000136 17H 2s 0.002411 -0.000145 0.000551 0.000974 0.000522 0.000187 17H 3s 0.000041 -0.000386 0.000236 -0.000747 -0.000263 0.000613 17H 1pz -0.000337 -0.000045 -0.000132 -0.000168 -0.000070 0.000025 17H 1px -0.000271 0.000073 -0.000111 0.000017 0.000000 -0.000069 17H 1py 0.000223 0.000038 0.000031 0.000107 0.000047 -0.000013 18H 1s -0.002770 -0.000243 0.000584 0.000201 0.000404 0.000129 18H 2s -0.002402 0.000068 0.000586 0.000954 0.000520 0.000170 18H 3s -0.000037 0.000360 0.000290 -0.000742 -0.000267 0.000606 18H 1pz -0.000343 -0.000056 0.000133 0.000166 0.000072 -0.000023 18H 1px -0.000268 0.000059 0.000124 -0.000019 -0.000000 0.000066 18H 1py 0.000213 0.000043 -0.000028 -0.000100 -0.000045 0.000017 19H 1s -0.002711 -0.000419 0.000270 0.000441 0.000315 -0.000205 19H 2s -0.002214 -0.000868 0.001004 0.000510 0.000348 -0.000635 19H 3s 0.000102 -0.000493 -0.000814 0.000164 -0.000372 -0.000438 19H 1pz 0.000458 0.000104 -0.000181 -0.000134 -0.000054 0.000069 19H 1px 0.000069 -0.000099 -0.000149 -0.000009 -0.000071 -0.000071 19H 1py 0.000169 0.000010 -0.000111 0.000010 -0.000034 0.000008 20H 1s -0.000323 -0.000469 -0.000028 -0.000622 0.030691 -0.039139 20H 2s -0.000662 -0.000752 -0.000007 -0.000495 0.032519 -0.041894 20H 3s -0.000632 -0.000435 -0.000145 -0.000071 0.004745 -0.006580 20H 1pz -0.000020 -0.000021 0.000002 -0.000018 0.002738 -0.003537 20H 1px -0.000096 -0.000141 -0.000015 -0.000193 -0.000933 0.001185 20H 1py -0.000149 -0.000211 -0.000012 -0.000183 0.003616 -0.004575 21H 1s -0.000862 -0.001243 -0.000041 -0.001603 0.030133 -0.038407 21H 2s -0.001515 -0.001750 -0.000087 -0.001647 0.031810 -0.040909 21H 3s -0.000504 -0.000566 0.000128 0.000016 0.004589 -0.006393 21H 1pz 0.000272 0.000385 0.000020 0.000436 -0.002373 0.002986 21H 1px 0.000148 0.000192 0.000006 0.000177 -0.003784 0.004821 21H 1py -0.000081 -0.000123 -0.000007 -0.000096 -0.000442 0.000604 22H 1s 0.001102 0.001555 0.000058 0.001964 0.029755 -0.037909 22H 2s 0.001322 0.001415 0.000076 0.001769 0.031950 -0.040999 22H 3s -0.000760 0.000299 -0.000121 -0.000120 0.003251 -0.004772 22H 1pz -0.000217 -0.000280 -0.000021 -0.000374 -0.003026 0.003819 22H 1px -0.000001 -0.000049 -0.000003 -0.000017 0.002907 -0.003710 22H 1py 0.000209 0.000293 0.000010 0.000338 0.001782 -0.002234 23H 1s -0.001055 0.000787 0.001482 0.000010 0.038309 0.029826 23H 2s -0.001797 0.001045 0.001417 -0.000029 0.040564 0.031912 23H 3s -0.000912 0.000393 -0.000152 0.000168 0.006707 0.005716 23H 1pz 0.000096 -0.000077 -0.000084 0.000000 0.000924 0.000758 23H 1px -0.000023 0.000024 0.000086 0.000000 -0.002304 -0.001808 23H 1py 0.000373 -0.000265 -0.000402 0.000001 -0.005081 -0.003935 24H 1s -0.000624 0.000471 0.000895 -0.000012 0.038607 0.030071 24H 2s -0.001228 0.000714 0.000802 -0.000001 0.040947 0.032274 24H 3s -0.001033 0.000293 -0.000101 -0.000209 0.006218 0.005245 24H 1pz 0.000275 -0.000203 -0.000279 0.000004 -0.003754 -0.002896 24H 1px -0.000012 0.000013 0.000071 -0.000005 -0.003690 -0.002894 24H 1py -0.000087 0.000061 0.000116 -0.000005 0.002233 0.001772 25H 1s 0.001533 -0.001117 -0.002052 0.000005 0.037586 0.029241 25H 2s 0.001779 -0.000995 -0.002009 0.000019 0.039554 0.030978 25H 3s -0.000899 -0.000454 -0.000055 -0.000205 0.005333 0.004792 25H 1pz -0.000334 0.000238 0.000425 0.000001 -0.003167 -0.002428 25H 1px 0.000110 -0.000042 -0.000151 0.000008 0.004405 0.003416 25H 1py -0.000224 0.000169 0.000296 -0.000009 -0.001052 -0.000792 26O 1s 0.039993 -0.031631 0.048082 -0.000257 0.010157 0.008435 26O 2s 0.094830 -0.075025 0.114021 -0.000609 0.024256 0.020158 26O 3s -0.137738 0.109095 -0.165632 0.000891 -0.036573 -0.030566 26O 4s -0.186635 0.147657 -0.223973 0.001139 -0.049583 -0.040672 26O 5s -0.064759 0.060264 -0.094256 0.001005 -0.025606 -0.023504 26O 1pz 0.002185 -0.002272 0.004312 -0.000384 -0.020654 -0.015804 26O 1px 0.031797 -0.025521 0.039183 -0.000434 -0.006509 -0.004107 26O 1py 0.013221 -0.010921 0.017290 0.000477 -0.014744 -0.010896 26O 2pz -0.000456 -0.000657 0.001046 -0.000381 -0.018617 -0.013998 26O 2px 0.026905 -0.023154 0.035386 -0.000421 -0.005220 -0.002922 26O 2py 0.009615 -0.008966 0.013746 0.000528 -0.013232 -0.009497 26O 3pz 0.004338 -0.001057 -0.004282 -0.000432 -0.004641 -0.002823 26O 3px 0.001476 -0.005264 0.002996 -0.000587 -0.002323 0.000188 26O 3py 0.003449 -0.002727 -0.001516 0.000656 -0.003417 -0.001588 26O 1dz2 0.000948 -0.000758 0.001263 -0.000040 -0.000061 -0.000027 26O 1dxz -0.000595 0.000497 -0.000700 0.000002 0.000672 0.000509 26O 1dyz -0.000282 0.000230 -0.000166 0.000021 0.000322 0.000228 26O 1dx2y2 -0.001123 0.000887 -0.001410 -0.000001 -0.000156 -0.000155 26O 1dxy -0.001475 0.001188 -0.001768 -0.000008 0.000396 0.000258 26O 2dz2 0.002027 -0.001854 0.002407 -0.000080 -0.000319 -0.000092 26O 2dxz -0.002412 0.001790 -0.003017 -0.000048 0.002121 0.001777 26O 2dyz -0.001722 0.001473 -0.002757 0.000049 0.000510 0.000434 26O 2dx2y2 -0.002205 0.002211 -0.002952 -0.000062 -0.000641 -0.000762 26O 2dxy -0.003990 0.003516 -0.005341 0.000061 0.001106 0.000738 26O 1f0 -0.000430 0.000358 -0.000537 0.000011 0.000336 0.000258 26O 1f+1 -0.000710 0.000589 -0.000889 -0.000001 -0.000254 -0.000220 26O 1f-1 -0.000585 0.000520 -0.000742 0.000004 -0.000147 -0.000164 26O 1f+2 0.000555 -0.000469 0.000702 -0.000002 -0.000172 -0.000121 26O 1f-2 0.000181 -0.000144 0.000220 0.000006 -0.000498 -0.000397 26O 1f+3 -0.000095 0.000089 -0.000123 0.000001 -0.000342 -0.000288 26O 1f-3 -0.000885 0.000740 -0.001107 0.000011 0.000087 0.000042 27O 1s 0.029431 0.040001 0.001313 -0.049439 0.007919 -0.010466 27O 2s 0.069755 0.094840 0.003111 -0.117203 0.018895 -0.024994 27O 3s -0.101000 -0.137522 -0.004504 0.169827 -0.028255 0.037653 27O 4s -0.138106 -0.187485 -0.006226 0.231351 -0.039514 0.051252 27O 5s -0.045421 -0.073609 -0.001474 0.097075 -0.019718 0.029930 27O 1pz -0.001846 -0.002165 0.000497 0.001980 -0.009375 0.011490 27O 1px 0.024866 0.034392 0.001246 -0.043335 -0.008252 0.008890 27O 1py -0.004696 -0.007091 0.000158 0.009935 0.016334 -0.019737 27O 2pz -0.002686 -0.003179 0.000470 0.003639 -0.008601 0.010382 27O 2px 0.020410 0.030422 0.001039 -0.038792 -0.006706 0.006623 27O 2py -0.002160 -0.004439 0.000287 0.006119 0.014640 -0.017340 27O 3pz 0.002572 0.000922 0.001016 0.003004 -0.001883 0.002357 27O 3px 0.001611 0.006637 0.000027 -0.003566 -0.002235 0.000589 27O 3py -0.003879 -0.003157 0.000287 -0.003265 0.003848 -0.004221 27O 1dz2 0.000743 0.001025 0.000069 -0.001249 -0.000197 0.000195 27O 1dxz -0.000014 -0.000037 -0.000004 -0.000013 0.000341 -0.000423 27O 1dyz -0.000019 -0.000025 -0.000010 0.000200 -0.000030 0.000019 27O 1dx2y2 -0.001170 -0.001598 -0.000039 0.002093 0.000017 0.000038 27O 1dxy 0.000773 0.001086 0.000027 -0.001251 -0.000573 0.000671 27O 2dz2 0.002157 0.003342 0.000155 -0.004224 -0.000197 0.000090 27O 2dxz -0.000684 -0.000704 0.000046 0.001107 0.001010 -0.001411 27O 2dyz 0.000362 0.000668 -0.000041 -0.001286 0.000258 -0.000349 27O 2dx2y2 -0.002490 -0.004029 -0.000045 0.004658 -0.000104 0.000443 27O 2dxy 0.002737 0.003814 0.000141 -0.005097 -0.001585 0.002017 27O 1f0 0.000043 0.000096 -0.000000 -0.000099 0.000232 -0.000328 27O 1f+1 -0.000546 -0.000781 -0.000017 0.000964 0.000020 -0.000001 27O 1f-1 0.000190 0.000281 0.000017 -0.000339 -0.000100 0.000110 27O 1f+2 0.000260 0.000390 0.000010 -0.000465 -0.000132 0.000136 27O 1f-2 0.000213 0.000315 0.000008 -0.000392 0.000173 -0.000233 27O 1f+3 -0.000551 -0.000811 -0.000029 0.000995 -0.000318 0.000448 27O 1f-3 0.000637 0.000915 0.000029 -0.001132 -0.000353 0.000420 28O 1s -0.040307 0.031837 -0.048404 0.000255 0.010491 0.008703 28O 2s -0.095556 0.075496 -0.114763 0.000605 0.025041 0.020789 28O 3s 0.138603 -0.109619 0.166499 -0.000890 -0.037571 -0.031374 28O 4s 0.188554 -0.148959 0.225898 -0.001128 -0.052098 -0.042668 28O 5s 0.066055 -0.060792 0.094494 -0.000381 -0.025909 -0.023778 28O 1pz -0.021566 0.017741 -0.027952 0.000504 -0.022136 -0.016421 28O 1px 0.027836 -0.022113 0.033658 0.000042 -0.002045 -0.002363 28O 1py -0.002459 0.002333 -0.004144 -0.000538 -0.014010 -0.010624 28O 2pz -0.016499 0.014994 -0.022957 0.000451 -0.019284 -0.013859 28O 2px 0.024407 -0.020610 0.031350 0.000054 -0.002653 -0.002947 28O 2py -0.000662 0.001228 -0.001904 -0.000580 -0.012593 -0.009331 28O 3pz -0.005824 0.004448 0.001474 0.000364 -0.005989 -0.003631 28O 3px 0.000907 -0.004402 0.004789 0.000554 -0.000032 -0.001190 28O 3py -0.003153 0.000979 0.002640 -0.000777 -0.003439 -0.002473 28O 1dz2 0.000487 -0.000400 0.000499 0.000016 0.000535 0.000399 28O 1dxz -0.001861 0.001490 -0.002320 0.000033 -0.000356 -0.000221 28O 1dyz 0.000338 -0.000276 0.000240 -0.000007 0.000361 0.000254 28O 1dx2y2 0.000952 -0.000750 0.001197 0.000019 -0.000236 -0.000217 28O 1dxy -0.000344 0.000287 -0.000474 -0.000011 -0.000386 -0.000295 28O 2dz2 0.002124 -0.001657 0.002890 0.000087 0.001694 0.001423 28O 2dxz -0.004802 0.004247 -0.006117 0.000039 -0.000994 -0.000598 28O 2dyz 0.002078 -0.001759 0.003163 -0.000072 0.000595 0.000509 28O 2dx2y2 0.001743 -0.001796 0.002353 0.000039 -0.001002 -0.001020 28O 2dxy -0.001387 0.001000 -0.001494 0.000049 -0.001314 -0.001086 28O 1f0 0.000343 -0.000288 0.000433 0.000001 -0.000336 -0.000279 28O 1f+1 0.000922 -0.000764 0.001145 -0.000008 0.000387 0.000290 28O 1f-1 0.000206 -0.000199 0.000274 -0.000004 -0.000359 -0.000315 28O 1f+2 -0.000943 0.000801 -0.001185 -0.000000 0.000241 0.000230 28O 1f-2 0.000459 -0.000392 0.000569 -0.000004 0.000286 0.000203 28O 1f+3 -0.000209 0.000173 -0.000259 0.000011 0.000261 0.000215 28O 1f-3 0.000343 -0.000277 0.000430 -0.000004 0.000141 0.000115 29O 1s -0.002969 -0.000308 -0.000565 -0.000453 -0.000325 0.000030 29O 2s -0.007004 -0.000723 -0.001343 -0.001075 -0.000780 0.000069 29O 3s 0.009660 0.000952 0.002010 0.001566 0.001199 -0.000079 29O 4s 0.017024 0.002011 0.002569 0.002242 0.002137 -0.000367 29O 5s -0.003594 -0.000983 0.000283 -0.000109 -0.001419 0.000715 29O 1pz -0.000712 -0.000204 0.000190 -0.000329 -0.000270 0.000303 29O 1px 0.001599 0.000135 0.000356 0.000100 0.000963 -0.000012 29O 1py -0.001944 -0.000210 -0.000193 -0.000030 -0.000252 0.000019 29O 2pz -0.000561 -0.000162 0.000236 -0.000240 -0.000295 0.000249 29O 2px 0.001285 0.000124 0.000193 -0.000073 0.001060 0.000010 29O 2py -0.001712 -0.000194 -0.000164 -0.000067 -0.000158 0.000007 29O 3pz -0.001361 0.000376 0.001213 -0.000889 -0.000644 -0.000424 29O 3px 0.003688 0.000754 0.000427 -0.000235 0.001506 -0.000469 29O 3py 0.000691 0.000066 0.001035 0.001461 0.000173 -0.000197 29O 1dz2 0.000066 0.000013 0.000002 0.000021 -0.000003 -0.000010 29O 1dxz 0.000026 -0.000000 0.000034 -0.000004 -0.000015 0.000003 29O 1dyz 0.000017 0.000024 0.000006 -0.000010 -0.000003 -0.000028 29O 1dx2y2 0.000027 0.000008 -0.000002 -0.000017 0.000030 -0.000005 29O 1dxy -0.000091 -0.000001 0.000001 0.000009 -0.000014 -0.000012 29O 2dz2 0.000249 0.000020 0.000074 -0.000031 0.000107 0.000006 29O 2dxz 0.000268 0.000056 -0.000155 0.000070 0.000147 -0.000014 29O 2dyz 0.000088 -0.000017 -0.000081 0.000160 0.000046 0.000017 29O 2dx2y2 -0.000295 -0.000040 0.000008 0.000125 -0.000196 0.000015 29O 2dxy -0.000298 -0.000042 -0.000184 -0.000159 -0.000134 0.000025 29O 1f0 -0.000080 -0.000004 -0.000005 -0.000004 -0.000012 -0.000003 29O 1f+1 0.000030 0.000010 -0.000013 0.000012 0.000006 -0.000002 29O 1f-1 -0.000092 -0.000004 -0.000005 -0.000011 -0.000012 -0.000006 29O 1f+2 0.000042 -0.000002 0.000018 -0.000005 0.000004 0.000004 29O 1f-2 -0.000055 -0.000014 -0.000017 -0.000006 -0.000008 0.000006 29O 1f+3 0.000037 0.000010 0.000001 0.000011 0.000000 -0.000003 29O 1f-3 0.000032 0.000009 -0.000005 -0.000017 0.000007 -0.000003 30O 1s -0.029618 -0.040242 -0.001297 0.049717 0.008115 -0.010719 30O 2s -0.070206 -0.095411 -0.003074 0.117867 0.019359 -0.025595 30O 3s 0.101707 0.138337 0.004459 -0.170843 -0.028902 0.038496 30O 4s 0.138505 0.188432 0.005998 -0.232050 -0.040574 0.052616 30O 5s 0.046945 0.073979 0.003154 -0.097696 -0.019724 0.029767 30O 1pz -0.012165 -0.017062 -0.001118 0.021997 -0.010812 0.012620 30O 1px 0.018472 0.025120 0.000699 -0.030882 -0.004233 0.006031 30O 1py 0.012697 0.018080 0.000183 -0.023615 0.017271 -0.020530 30O 2pz -0.009270 -0.014239 -0.001040 0.018346 -0.009392 0.010565 30O 2px 0.016458 0.023593 0.000655 -0.029649 -0.004451 0.006323 30O 2py 0.009008 0.014349 0.000063 -0.018665 0.015134 -0.017499 30O 3pz -0.001842 -0.003783 -0.001096 -0.000994 -0.003089 0.002849 30O 3px -0.001152 0.003567 0.000319 -0.005190 -0.000420 0.002121 30O 3py 0.003466 0.005001 -0.000339 0.002685 0.004823 -0.004638 30O 1dz2 -0.000097 -0.000127 -0.000018 0.000129 0.000091 -0.000130 30O 1dxz -0.000972 -0.001328 -0.000068 0.001711 -0.000046 0.000010 30O 1dyz -0.000807 -0.001129 -0.000022 0.001238 -0.000417 0.000460 30O 1dx2y2 0.000077 0.000080 -0.000016 -0.000208 -0.000475 0.000595 30O 1dxy 0.001052 0.001450 0.000035 -0.001905 0.000230 -0.000240 30O 2dz2 -0.000294 -0.000655 -0.000137 0.000855 0.000634 -0.000900 30O 2dxz -0.002011 -0.003184 -0.000121 0.003733 -0.000173 0.000002 30O 2dyz -0.002864 -0.004229 -0.000107 0.005721 -0.000792 0.000909 30O 2dx2y2 -0.000642 -0.000493 -0.000074 0.001037 -0.001468 0.002083 30O 2dxy 0.002471 0.003687 0.000131 -0.004251 0.000788 -0.000838 30O 1f0 0.000230 0.000307 0.000003 -0.000386 0.000053 -0.000077 30O 1f+1 0.000194 0.000266 0.000010 -0.000339 0.000105 -0.000138 30O 1f-1 0.000034 0.000048 -0.000000 -0.000061 0.000184 -0.000234 30O 1f+2 -0.000216 -0.000336 -0.000005 0.000401 0.000447 -0.000604 30O 1f-2 -0.000757 -0.001110 -0.000042 0.001354 -0.000111 0.000083 30O 1f+3 0.000494 0.000716 0.000018 -0.000880 0.000273 -0.000319 30O 1f-3 -0.000414 -0.000597 -0.000023 0.000744 0.000237 -0.000318 31O 1s 0.029506 0.039880 0.001702 0.050069 0.008050 -0.010518 31O 2s 0.069940 0.094555 0.004036 0.118703 0.019204 -0.025115 31O 3s -0.101322 -0.137094 -0.005852 -0.172055 -0.028667 0.037767 31O 4s -0.137977 -0.186745 -0.008048 -0.233704 -0.040274 0.051683 31O 5s -0.046710 -0.073336 -0.002408 -0.098331 -0.019504 0.029059 31O 1pz -0.012116 -0.016959 -0.000162 -0.022158 0.010758 -0.012366 31O 1px 0.018401 0.024882 0.001173 0.031097 0.004192 -0.005894 31O 1py 0.012640 0.017861 0.001169 0.023757 -0.017150 0.020206 31O 2pz -0.009230 -0.014168 -0.000037 -0.018485 0.009342 -0.010342 31O 2px 0.016390 0.023366 0.001110 0.029849 0.004413 -0.006191 31O 2py 0.008960 0.014167 0.001018 0.018771 -0.015028 0.017216 31O 3pz -0.001824 -0.003890 0.000805 0.000948 0.003063 -0.002770 31O 3px -0.001185 0.003542 -0.000026 0.005205 0.000386 -0.002025 31O 3py 0.003453 0.004967 0.000709 -0.002664 -0.004782 0.004490 31O 1dz2 0.000097 0.000127 -0.000009 0.000130 0.000090 -0.000129 31O 1dxz 0.000968 0.001318 0.000031 0.001723 -0.000046 0.000009 31O 1dyz 0.000805 0.001119 0.000063 0.001248 -0.000413 0.000449 31O 1dx2y2 -0.000078 -0.000077 -0.000021 -0.000209 -0.000471 0.000581 31O 1dxy -0.001048 -0.001434 -0.000074 -0.001917 0.000229 -0.000238 31O 2dz2 0.000290 0.000657 -0.000086 0.000860 0.000628 -0.000884 31O 2dxz 0.002000 0.003158 0.000119 0.003760 -0.000173 0.000001 31O 2dyz 0.002853 0.004187 0.000209 0.005759 -0.000789 0.000899 31O 2dx2y2 0.000639 0.000489 -0.000040 0.001040 -0.001457 0.002045 31O 2dxy -0.002459 -0.003657 -0.000145 -0.004282 0.000783 -0.000821 31O 1f0 0.000229 0.000303 0.000019 0.000388 -0.000053 0.000076 31O 1f+1 0.000193 0.000264 0.000010 0.000342 -0.000104 0.000135 31O 1f-1 0.000034 0.000048 0.000004 0.000062 -0.000183 0.000229 31O 1f+2 -0.000215 -0.000333 -0.000020 -0.000405 -0.000444 0.000593 31O 1f-2 -0.000754 -0.001101 -0.000041 -0.001364 0.000110 -0.000081 31O 1f+3 0.000492 0.000708 0.000036 0.000886 -0.000271 0.000313 31O 1f-3 -0.000413 -0.000591 -0.000022 -0.000749 -0.000234 0.000312 32O 1s 0.002966 0.000356 -0.000559 -0.000449 -0.000324 0.000033 32O 2s 0.006997 0.000837 -0.001328 -0.001065 -0.000778 0.000078 32O 3s -0.009649 -0.001122 0.001992 0.001551 0.001194 -0.000094 32O 4s -0.017009 -0.002236 0.002524 0.002219 0.002138 -0.000380 32O 5s 0.003591 0.001005 0.000300 -0.000066 -0.001441 0.000703 32O 1pz -0.000664 -0.000181 -0.000213 0.000318 0.000272 -0.000283 32O 1px 0.001613 0.000168 -0.000359 -0.000100 -0.000961 0.000020 32O 1py -0.001948 -0.000227 0.000188 0.000029 0.000254 -0.000010 32O 2pz -0.000521 -0.000137 -0.000251 0.000234 0.000300 -0.000229 32O 2px 0.001300 0.000139 -0.000193 0.000071 -0.001057 -0.000004 32O 2py -0.001715 -0.000207 0.000153 0.000073 0.000159 0.000006 32O 3pz -0.001365 0.000469 -0.001158 0.000895 0.000640 0.000417 32O 3px 0.003683 0.000778 -0.000394 0.000240 -0.001510 0.000467 32O 3py 0.000679 0.000198 -0.001040 -0.001445 -0.000175 0.000217 32O 1dz2 -0.000065 -0.000013 0.000001 0.000021 -0.000003 -0.000009 32O 1dxz -0.000028 -0.000003 0.000034 -0.000004 -0.000015 0.000003 32O 1dyz -0.000020 -0.000024 0.000005 -0.000010 -0.000002 -0.000027 32O 1dx2y2 -0.000028 -0.000007 -0.000002 -0.000017 0.000031 -0.000005 32O 1dxy 0.000090 0.000000 -0.000000 0.000009 -0.000014 -0.000012 32O 2dz2 -0.000247 -0.000027 0.000077 -0.000032 0.000106 0.000003 32O 2dxz -0.000273 -0.000043 -0.000156 0.000070 0.000149 -0.000012 32O 2dyz -0.000091 0.000023 -0.000079 0.000161 0.000047 0.000018 32O 2dx2y2 0.000294 0.000035 0.000010 0.000124 -0.000196 0.000013 32O 2dxy 0.000296 0.000056 -0.000180 -0.000162 -0.000133 0.000028 32O 1f0 -0.000074 -0.000003 0.000005 0.000003 0.000012 0.000003 32O 1f+1 0.000034 0.000009 0.000013 -0.000012 -0.000006 0.000002 32O 1f-1 -0.000094 -0.000004 0.000004 0.000012 0.000013 0.000006 32O 1f+2 0.000047 -0.000000 -0.000019 0.000005 -0.000005 -0.000004 32O 1f-2 -0.000054 -0.000015 0.000016 0.000007 0.000007 -0.000006 32O 1f+3 0.000035 0.000009 0.000001 -0.000011 0.000000 0.000003 32O 1f-3 0.000032 0.000009 0.000006 0.000017 -0.000007 0.000003 33O 1s 0.039696 -0.027651 -0.051408 0.000142 0.010281 0.008203 33O 2s 0.094106 -0.065571 -0.121885 0.000337 0.024540 0.019594 33O 3s -0.136501 0.095221 0.176840 -0.000501 -0.036803 -0.029556 33O 4s -0.185693 0.129419 0.239947 -0.000601 -0.051146 -0.040349 33O 5s -0.064831 0.052636 0.100050 -0.000141 -0.025198 -0.022070 33O 1pz -0.021190 0.015313 0.029579 -0.000440 0.021724 0.015497 33O 1px 0.027444 -0.019223 -0.035784 -0.000120 0.001962 0.002177 33O 1py -0.002450 0.002000 0.004409 0.000546 0.013803 0.010089 33O 2pz -0.016180 0.012999 0.024303 -0.000392 0.018912 0.013041 33O 2px 0.024033 -0.017919 -0.033303 -0.000131 0.002573 0.002756 33O 2py -0.000674 0.001087 0.002059 0.000586 0.012399 0.008842 33O 3pz -0.005853 0.004569 -0.000997 -0.000352 0.005802 0.003239 33O 3px 0.000842 -0.003997 -0.005159 -0.000578 -0.000017 0.001047 33O 3py -0.003197 0.001195 -0.002502 0.000774 0.003331 0.002196 33O 1dz2 -0.000478 0.000354 0.000533 0.000018 0.000521 0.000370 33O 1dxz 0.001831 -0.001289 -0.002460 0.000027 -0.000351 -0.000208 33O 1dyz -0.000337 0.000256 0.000269 -0.000006 0.000354 0.000234 33O 1dx2y2 -0.000938 0.000647 0.001269 0.000021 -0.000231 -0.000202 33O 1dxy 0.000342 -0.000248 -0.000505 -0.000012 -0.000381 -0.000281 33O 2dz2 -0.002079 0.001400 0.003031 0.000093 0.001653 0.001345 33O 2dxz 0.004719 -0.003716 -0.006505 0.000023 -0.000976 -0.000560 33O 2dyz -0.002049 0.001494 0.003339 -0.000066 0.000591 0.000496 33O 2dx2y2 -0.001718 0.001597 0.002525 0.000046 -0.000981 -0.000967 33O 2dxy 0.001376 -0.000878 -0.001602 0.000046 -0.001290 -0.001024 33O 1f0 0.000340 -0.000252 -0.000462 -0.000002 0.000327 0.000261 33O 1f+1 0.000905 -0.000663 -0.001213 0.000005 -0.000378 -0.000272 33O 1f-1 0.000202 -0.000175 -0.000292 0.000003 0.000352 0.000298 33O 1f+2 -0.000928 0.000699 0.001260 0.000003 -0.000236 -0.000218 33O 1f-2 0.000454 -0.000344 -0.000608 0.000003 -0.000282 -0.000191 33O 1f+3 -0.000206 0.000151 0.000276 -0.000011 -0.000257 -0.000203 33O 1f-3 0.000340 -0.000242 -0.000459 0.000003 -0.000139 -0.000108 34O 1s -0.029315 -0.039637 -0.001667 -0.049781 0.007851 -0.010264 34O 2s -0.069480 -0.093977 -0.003954 -0.118013 0.018733 -0.024512 34O 3s 0.100603 0.136272 0.005743 0.171003 -0.028010 0.036923 34O 4s 0.137559 0.185785 0.007737 0.232958 -0.039195 0.050303 34O 5s 0.045206 0.072800 0.004091 0.097682 -0.019458 0.029170 34O 1pz -0.001852 -0.002108 -0.000653 -0.002006 0.009319 -0.011238 34O 1px 0.024766 0.034086 0.001322 0.043631 0.008207 -0.008742 34O 1py -0.004681 -0.006988 -0.000690 -0.009998 -0.016208 0.019410 34O 2pz -0.002688 -0.003107 -0.000699 -0.003672 0.008548 -0.010152 34O 2px 0.020317 0.030138 0.001247 0.039047 0.006678 -0.006514 34O 2py -0.002149 -0.004355 -0.000628 -0.006151 -0.014527 0.017047 34O 3pz 0.002580 0.001041 -0.000966 -0.002971 0.001844 -0.002258 34O 3px 0.001604 0.006599 0.000493 0.003638 0.002239 -0.000591 34O 3py -0.003889 -0.003141 -0.000501 0.003235 -0.003803 0.004067 34O 1dz2 -0.000740 -0.001019 -0.000008 -0.001258 -0.000197 0.000189 34O 1dxz 0.000013 0.000037 -0.000001 -0.000013 0.000339 -0.000413 34O 1dyz 0.000019 0.000025 -0.000008 0.000201 -0.000028 0.000017 34O 1dx2y2 0.001166 0.001582 0.000081 0.002106 0.000017 0.000035 34O 1dxy -0.000770 -0.001077 -0.000054 -0.001261 -0.000569 0.000658 34O 2dz2 -0.002145 -0.003312 -0.000097 -0.004249 -0.000200 0.000091 34O 2dxz 0.000682 0.000688 0.000097 0.001110 0.001000 -0.001387 34O 2dyz -0.000360 -0.000653 -0.000091 -0.001291 0.000255 -0.000337 34O 2dx2y2 0.002479 0.003987 0.000259 0.004692 -0.000100 0.000431 34O 2dxy -0.002726 -0.003779 -0.000143 -0.005132 -0.001573 0.001982 34O 1f0 0.000043 0.000095 0.000008 0.000100 -0.000230 0.000322 34O 1f+1 -0.000544 -0.000773 -0.000042 -0.000971 -0.000020 0.000002 34O 1f-1 0.000190 0.000279 0.000004 0.000342 0.000100 -0.000108 34O 1f+2 0.000258 0.000385 0.000020 0.000468 0.000131 -0.000133 34O 1f-2 0.000212 0.000313 0.000016 0.000395 -0.000171 0.000228 34O 1f+3 -0.000548 -0.000803 -0.000031 -0.001002 0.000315 -0.000440 34O 1f-3 0.000634 0.000906 0.000039 0.001141 0.000350 -0.000412 35O 1s -0.039369 0.027463 0.051048 -0.000144 0.009950 0.007948 35O 2s -0.093350 0.065140 0.121057 -0.000341 0.023761 0.018994 35O 3s 0.135591 -0.094736 -0.175864 0.000501 -0.035813 -0.028784 35O 4s 0.183724 -0.128244 -0.237824 0.000608 -0.048659 -0.038452 35O 5s 0.063496 -0.052093 -0.099723 0.000785 -0.024958 -0.021883 35O 1pz 0.002107 -0.001888 -0.004484 0.000375 0.020265 0.014904 35O 1px 0.031277 -0.022118 -0.041553 0.000342 0.006412 0.003902 35O 1py 0.013021 -0.009435 -0.018334 -0.000516 0.014545 0.010370 35O 2pz -0.000495 -0.000554 -0.001061 0.000376 0.018262 0.013182 35O 2px 0.026427 -0.020083 -0.037507 0.000335 0.005121 0.002741 35O 2py 0.009451 -0.007784 -0.014587 -0.000563 0.013041 0.009012 35O 3pz 0.004385 -0.001410 0.004123 0.000433 0.004472 0.002432 35O 3px 0.001413 -0.005003 -0.003445 0.000562 0.002299 -0.000212 35O 3py 0.003463 -0.002843 0.001236 -0.000661 0.003324 0.001348 35O 1dz2 -0.000932 0.000649 0.001333 -0.000037 -0.000064 -0.000030 35O 1dxz 0.000584 -0.000435 -0.000745 0.000000 0.000657 0.000476 35O 1dyz 0.000279 -0.000215 -0.000188 0.000020 0.000314 0.000207 35O 1dx2y2 0.001103 -0.000763 -0.001490 -0.000004 -0.000154 -0.000145 35O 1dxy 0.001455 -0.001036 -0.001882 -0.000012 0.000390 0.000243 35O 2dz2 -0.001994 0.001646 0.002579 -0.000073 -0.000314 -0.000079 35O 2dxz 0.002367 -0.001524 -0.003176 -0.000054 0.002074 0.001676 35O 2dyz 0.001688 -0.001237 -0.002892 0.000044 0.000503 0.000421 35O 2dx2y2 0.002158 -0.001950 -0.003144 -0.000071 -0.000633 -0.000728 35O 2dxy 0.003926 -0.003060 -0.005674 0.000048 0.001091 0.000700 35O 1f0 -0.000423 0.000311 0.000569 -0.000009 -0.000329 -0.000243 35O 1f+1 -0.000698 0.000512 0.000943 0.000003 0.000248 0.000206 35O 1f-1 -0.000576 0.000456 0.000791 -0.000002 0.000143 0.000156 35O 1f+2 0.000545 -0.000408 -0.000745 0.000000 0.000167 0.000112 35O 1f-2 0.000177 -0.000125 -0.000232 -0.000007 0.000489 0.000374 35O 1f+3 -0.000092 0.000077 0.000129 -0.000001 0.000337 0.000273 35O 1f-3 -0.000871 0.000645 0.001178 -0.000008 -0.000086 -0.000039 66 67 68 69 70 71 -0.71940 -0.71903 -0.54846 -0.54272 -0.53511 -0.53321 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s -0.000009 0.000017 0.003396 0.000069 0.000067 0.000049 0Rh 2s 0.000036 -0.000071 -0.012905 -0.000273 -0.000248 -0.000197 0Rh 3s -0.000029 0.000055 0.011614 0.000231 0.000233 0.000160 0Rh 4s -0.000149 0.000298 0.054157 0.001135 0.001041 0.000838 0Rh 5s 0.000126 -0.000265 -0.041207 -0.000780 -0.000763 -0.000758 0Rh 6s 0.000162 -0.000293 -0.081753 -0.001884 -0.001666 -0.000814 0Rh 7s 0.000246 0.000031 0.092186 0.000940 0.002261 0.000512 0Rh 8s -0.001394 -0.001247 0.015032 0.001350 -0.005809 -0.009937 0Rh 1pz 0.003876 -0.002444 0.000768 -0.000291 0.009961 0.000235 0Rh 1px 0.000726 -0.001493 -0.001834 -0.000122 0.003033 -0.001910 0Rh 1py 0.002729 0.003865 -0.000205 -0.000084 0.000370 0.010679 0Rh 2pz -0.013017 0.008207 -0.002581 0.000983 -0.033581 -0.000795 0Rh 2px -0.002438 0.005014 0.006154 0.000414 -0.010223 0.006442 0Rh 2py -0.009165 -0.012982 0.000682 0.000283 -0.001247 -0.036004 0Rh 3pz 0.010036 -0.006317 0.001884 -0.000805 0.026258 0.000611 0Rh 3px 0.001867 -0.003870 -0.004313 -0.000365 0.007981 -0.005106 0Rh 3py 0.007059 0.010022 -0.000362 -0.000245 0.000965 0.028201 0Rh 4pz 0.016073 -0.010138 0.003721 -0.001135 0.043429 0.001144 0Rh 4px 0.003056 -0.006161 -0.009491 -0.000375 0.013253 -0.008086 0Rh 4py 0.011359 0.015961 -0.001450 -0.000294 0.001713 0.046503 0Rh 5pz -0.000002 -0.000012 -0.000584 -0.000188 -0.003183 -0.000361 0Rh 5px -0.000104 -0.000051 0.002261 -0.000188 -0.001044 0.000268 0Rh 5py -0.000076 0.000143 0.000889 -0.000030 -0.000302 -0.003733 0Rh 6pz -0.003799 0.002373 -0.000443 0.002111 -0.017111 0.001305 0Rh 6px 0.000100 0.001449 0.004215 0.000606 -0.003894 0.003291 0Rh 6py -0.002504 -0.004757 -0.003626 -0.001959 -0.001177 -0.010512 0Rh 1dz2 0.000651 -0.000316 -0.007117 0.012317 -0.004776 -0.000264 0Rh 1dxz -0.000962 0.000474 -0.008970 -0.001922 0.006885 0.000334 0Rh 1dyz 0.000217 0.000575 -0.002650 0.030153 0.000323 -0.002101 0Rh 1dx2y2 -0.000066 0.000643 0.013989 0.004910 0.002381 -0.001783 0Rh 1dxy -0.000709 -0.000849 0.005295 0.012007 0.000531 0.005826 0Rh 2dz2 0.000003 -0.000007 0.000171 -0.000221 0.000110 0.000015 0Rh 2dxz -0.000012 0.000009 0.000225 0.000022 -0.000175 -0.000011 0Rh 2dyz -0.000005 0.000005 0.000064 -0.000567 -0.000034 0.000059 0Rh 2dx2y2 0.000002 0.000009 -0.000338 -0.000109 -0.000059 0.000052 0Rh 2dxy -0.000012 -0.000020 -0.000120 -0.000223 -0.000030 -0.000171 0Rh 3dz2 -0.000932 0.000469 0.009752 -0.017268 0.006697 0.000351 0Rh 3dxz 0.001408 -0.000707 0.012289 0.002761 -0.009630 -0.000478 0Rh 3dyz -0.000289 -0.000828 0.003634 -0.042174 -0.000359 0.002892 0Rh 3dx2y2 0.000087 -0.000937 -0.019175 -0.006821 -0.003312 0.002441 0Rh 3dxy 0.001050 0.001275 -0.007315 -0.016807 -0.000717 -0.008005 0Rh 4dz2 -0.001176 0.000517 0.014113 -0.024027 0.009246 0.000591 0Rh 4dxz 0.001656 -0.000776 0.017894 0.003576 -0.013402 -0.000672 0Rh 4dyz -0.000442 -0.001013 0.005291 -0.059051 -0.000820 0.004151 0Rh 4dx2y2 0.000144 -0.001101 -0.027929 -0.009750 -0.004627 0.003526 0Rh 4dxy 0.001186 0.001354 -0.010455 -0.023528 -0.001168 -0.011565 0Rh 5dz2 -0.001332 0.000857 0.011863 -0.020304 0.007796 0.000162 0Rh 5dxz 0.002326 -0.001286 0.014563 0.003521 -0.011083 -0.000407 0Rh 5dyz -0.000191 -0.001235 0.004477 -0.049248 -0.000319 0.003205 0Rh 5dx2y2 0.000037 -0.001519 -0.022819 -0.007688 -0.004029 0.002780 0Rh 5dxy 0.001782 0.002375 -0.008586 -0.019450 -0.000569 -0.009009 0Rh 1f0 -0.000193 -0.000993 -0.000360 0.000264 0.000660 -0.002353 0Rh 1f+1 -0.000304 0.000002 0.000299 -0.000464 -0.000959 -0.000407 0Rh 1f-1 -0.001666 -0.000272 -0.000029 0.000555 -0.003028 -0.002976 0Rh 1f+2 0.000853 -0.001143 0.000418 0.000277 0.003388 -0.000955 0Rh 1f-2 -0.000562 -0.000910 0.000165 -0.000906 0.000253 -0.003043 0Rh 1f+3 -0.000260 0.000824 0.000487 0.000135 -0.001655 0.001834 0Rh 1f-3 -0.000097 -0.000321 0.000282 0.000541 0.000092 -0.001530 1Rh 1s -0.000007 -0.000008 0.003397 0.000067 -0.000080 -0.000052 1Rh 2s 0.000025 0.000034 -0.012911 -0.000266 0.000297 0.000208 1Rh 3s -0.000026 -0.000022 0.011619 0.000224 -0.000277 -0.000170 1Rh 4s -0.000102 -0.000145 0.054182 0.001103 -0.001244 -0.000882 1Rh 5s 0.000063 0.000150 -0.041227 -0.000756 0.000917 0.000790 1Rh 6s 0.000200 0.000072 -0.081788 -0.001837 0.001980 0.000888 1Rh 7s -0.000567 0.000153 0.092219 0.000887 -0.002612 -0.000616 1Rh 8s 0.001340 0.001265 0.015035 0.001454 0.005673 0.009943 1Rh 1pz 0.003875 -0.002441 -0.000729 0.000249 0.009973 0.000258 1Rh 1px 0.000734 -0.001497 0.001846 0.000112 0.003025 -0.001903 1Rh 1py 0.002731 0.003862 0.000215 0.000051 0.000392 0.010678 1Rh 2pz -0.013015 0.008199 0.002448 -0.000842 -0.033620 -0.000872 1Rh 2px -0.002466 0.005028 -0.006193 -0.000378 -0.010195 0.006419 1Rh 2py -0.009172 -0.012970 -0.000715 -0.000175 -0.001323 -0.036000 1Rh 3pz 0.010033 -0.006309 -0.001778 0.000694 0.026289 0.000671 1Rh 3px 0.001894 -0.003883 0.004344 0.000337 0.007962 -0.005088 1Rh 3py 0.007065 0.010011 0.000389 0.000161 0.001024 0.028198 1Rh 4pz 0.016073 -0.010134 -0.003560 0.000952 0.043479 0.001245 1Rh 4px 0.003071 -0.006170 0.009541 0.000331 0.013210 -0.008061 1Rh 4py 0.011364 0.015950 0.001487 0.000154 0.001812 0.046499 1Rh 5pz -0.000009 -0.000003 0.000589 0.000206 -0.003184 -0.000366 1Rh 5px -0.000072 -0.000067 -0.002261 0.000184 -0.001034 0.000274 1Rh 5py -0.000072 0.000137 -0.000883 0.000047 -0.000307 -0.003736 1Rh 6pz -0.003828 0.002346 0.000304 -0.002130 -0.017124 0.001192 1Rh 6px 0.000004 0.001516 -0.004277 -0.000516 -0.003849 0.003226 1Rh 6py -0.002562 -0.004771 0.003588 0.001919 -0.001161 -0.010448 1Rh 1dz2 -0.000502 0.000355 -0.007110 0.012293 0.004854 0.000337 1Rh 1dxz 0.000973 -0.000495 -0.008999 -0.001893 -0.006882 -0.000383 1Rh 1dyz 0.000112 -0.000458 -0.002669 0.030177 -0.000154 0.002170 1Rh 1dx2y2 0.000075 -0.000599 0.013990 0.004904 -0.002413 0.001768 1Rh 1dxy 0.000819 0.000907 0.005285 0.012017 -0.000545 -0.005796 1Rh 2dz2 -0.000005 0.000006 0.000171 -0.000221 -0.000111 -0.000015 1Rh 2dxz 0.000011 -0.000009 0.000226 0.000021 0.000174 0.000012 1Rh 2dyz 0.000001 -0.000006 0.000064 -0.000567 0.000031 -0.000060 1Rh 2dx2y2 -0.000002 -0.000010 -0.000338 -0.000108 0.000059 -0.000052 1Rh 2dxy 0.000011 0.000019 -0.000119 -0.000224 0.000030 0.000171 1Rh 3dz2 0.000729 -0.000524 0.009742 -0.017234 -0.006805 -0.000457 1Rh 3dxz -0.001421 0.000734 0.012331 0.002722 0.009630 0.000549 1Rh 3dyz -0.000160 0.000669 0.003661 -0.042207 0.000122 -0.002989 1Rh 3dx2y2 -0.000100 0.000879 -0.019176 -0.006814 0.003355 -0.002419 1Rh 3dxy -0.001202 -0.001354 -0.007302 -0.016819 0.000740 0.007962 1Rh 4dz2 0.000886 -0.000591 0.014101 -0.023983 -0.009397 -0.000722 1Rh 4dxz -0.001681 0.000817 0.017949 0.003517 0.013388 0.000759 1Rh 4dyz -0.000195 0.000788 0.005329 -0.059098 0.000495 -0.004284 1Rh 4dx2y2 -0.000157 0.001013 -0.027933 -0.009734 0.004692 -0.003499 1Rh 4dxy -0.001399 -0.001466 -0.010436 -0.023554 0.001183 0.011508 1Rh 5dz2 0.001055 -0.000933 0.011849 -0.020257 -0.007933 -0.000317 1Rh 5dxz -0.002345 0.001323 0.014612 0.003487 0.011095 0.000505 1Rh 5dyz -0.000417 0.001021 0.004505 -0.049277 0.000018 -0.003323 1Rh 5dx2y2 -0.000051 0.001442 -0.022818 -0.007690 0.004077 -0.002746 1Rh 5dxy -0.001985 -0.002483 -0.008569 -0.019449 0.000618 0.008956 1Rh 1f0 -0.000186 -0.000991 0.000359 -0.000259 0.000660 -0.002348 1Rh 1f+1 -0.000311 0.000001 -0.000306 0.000470 -0.000957 -0.000396 1Rh 1f-1 -0.001660 -0.000270 0.000017 -0.000532 -0.003032 -0.002982 1Rh 1f+2 0.000856 -0.001140 -0.000407 -0.000287 0.003388 -0.000957 1Rh 1f-2 -0.000576 -0.000915 -0.000169 0.000917 0.000260 -0.003043 1Rh 1f+3 -0.000261 0.000825 -0.000491 -0.000132 -0.001655 0.001835 1Rh 1f-3 -0.000090 -0.000316 -0.000282 -0.000536 0.000096 -0.001532 2C 1s 0.060712 -0.000444 -0.016514 0.015130 -0.015692 -0.011027 2C 2s 0.130081 -0.000950 -0.035623 0.032648 -0.033874 -0.023794 2C 3s -0.197703 0.001422 0.051916 -0.047537 0.050338 0.035163 2C 4s -0.236678 0.001830 0.094811 -0.087265 0.083746 0.060053 2C 5s -0.027502 -0.000348 -0.025985 0.006274 -0.007133 -0.005477 2C 1pz -0.018092 0.000160 -0.050421 0.049940 -0.058470 -0.041076 2C 1px -0.001986 0.000032 -0.011638 0.011591 -0.014151 -0.009216 2C 1py -0.012594 0.000039 -0.033594 0.033338 -0.038260 -0.029322 2C 2pz -0.015706 0.000364 -0.027879 0.027416 -0.037130 -0.025166 2C 2px -0.001046 0.000165 -0.006728 0.006729 -0.008506 -0.004977 2C 2py -0.010816 -0.000261 -0.018317 0.018075 -0.023709 -0.018977 2C 3pz -0.000552 -0.000604 -0.018455 0.012815 -0.013719 -0.010409 2C 3px -0.002505 -0.000479 -0.005419 0.004557 -0.008555 -0.007734 2C 3py -0.001188 0.000947 -0.011829 0.008078 -0.008872 -0.005270 2C 1dz2 -0.001076 0.000033 -0.002115 0.002106 -0.002554 -0.001745 2C 1dxz -0.000461 0.000007 -0.001058 0.001060 -0.001284 -0.000901 2C 1dyz -0.001688 -0.000001 -0.003168 0.003153 -0.003774 -0.002760 2C 1dx2y2 0.000507 0.000013 0.000983 -0.000977 0.001143 0.000882 2C 1dxy -0.000375 0.000019 -0.000621 0.000622 -0.000795 -0.000472 2C 2dz2 -0.002430 0.000094 0.000297 -0.000441 -0.000592 0.000025 2C 2dxz -0.001162 0.000023 -0.000153 0.000090 -0.001206 -0.000875 2C 2dyz -0.003286 0.000014 0.000109 -0.000328 -0.000622 -0.000498 2C 2dx2y2 0.001079 0.000030 0.000571 -0.000472 0.001289 0.001122 2C 2dxy -0.000487 -0.000003 -0.000160 0.000122 -0.000354 -0.000197 2C 1f0 -0.001218 0.000045 0.000498 -0.000456 0.000418 0.000412 2C 1f+1 -0.000756 0.000024 0.000181 -0.000154 0.000009 0.000092 2C 1f-1 -0.002897 0.000027 0.000697 -0.000628 0.000407 0.000291 2C 1f+2 0.003034 0.000005 -0.000977 0.000905 -0.000888 -0.000540 2C 1f-2 -0.002821 0.000024 0.000974 -0.000908 0.000849 0.000616 2C 1f+3 0.001734 -0.000016 -0.000759 0.000732 -0.000852 -0.000621 2C 1f-3 0.000140 -0.000011 -0.000096 0.000101 -0.000125 -0.000120 3C 1s 0.000332 -0.061375 -0.015600 -0.015948 -0.010103 0.016642 3C 2s 0.000713 -0.131539 -0.033676 -0.034439 -0.021820 0.035949 3C 3s -0.001087 0.200888 0.049642 0.050775 0.032760 -0.053769 3C 4s -0.001326 0.235733 0.087151 0.089250 0.052516 -0.087939 3C 5s -0.000848 0.035881 -0.022866 -0.006122 -0.003720 0.006693 3C 1pz -0.000119 0.012376 -0.027034 -0.030046 -0.022718 0.035466 3C 1px -0.000041 0.005991 -0.018517 -0.020338 -0.014557 0.024226 3C 1py 0.000061 -0.017581 0.048009 0.053062 0.036917 -0.064237 3C 2pz -0.000459 0.010900 -0.015049 -0.016642 -0.015711 0.022517 3C 2px -0.000113 0.004248 -0.010740 -0.011683 -0.009237 0.014976 3C 2py -0.000082 -0.014920 0.027173 0.029823 0.023279 -0.040473 3C 3pz 0.001018 -0.000490 -0.008950 -0.006421 -0.001590 0.005300 3C 3px -0.000008 0.002719 -0.007890 -0.006768 -0.005540 0.009104 3C 3py 0.000691 -0.002270 0.018287 0.015231 0.010879 -0.017802 3C 1dz2 -0.000032 -0.000341 0.000557 0.000612 0.000349 -0.000830 3C 1dxz -0.000012 0.000560 -0.001016 -0.001130 -0.000849 0.001385 3C 1dyz 0.000017 -0.001662 0.002511 0.002795 0.002065 -0.003450 3C 1dx2y2 0.000000 -0.001069 0.001968 0.002191 0.001602 -0.002699 3C 1dxy 0.000009 -0.000996 0.001702 0.001887 0.001399 -0.002324 3C 2dz2 -0.000028 -0.000387 0.000024 -0.000012 -0.000166 -0.000149 3C 2dxz -0.000050 0.001587 -0.000206 -0.000132 -0.000641 0.000672 3C 2dyz 0.000042 -0.001969 0.000407 0.000227 0.000713 -0.000719 3C 2dx2y2 -0.000016 -0.002319 0.000370 0.000277 0.001053 -0.001737 3C 2dxy 0.000042 -0.001965 0.000240 0.000091 0.000749 -0.000960 3C 1f0 0.000001 -0.000294 0.000166 0.000198 0.000249 -0.000387 3C 1f+1 -0.000016 0.000482 0.000168 0.000167 0.000085 -0.000204 3C 1f-1 0.000030 0.000981 0.000443 0.000470 0.000411 -0.000471 3C 1f+2 0.000027 -0.003990 -0.001229 -0.001275 -0.000726 0.001245 3C 1f-2 0.000035 -0.003071 -0.000908 -0.000932 -0.000498 0.000903 3C 1f+3 -0.000000 0.001497 0.000296 0.000291 0.000113 -0.000135 3C 1f-3 -0.000017 -0.000340 0.000004 0.000030 0.000061 -0.000187 4C 1s 0.021673 -0.000163 0.032687 -0.030882 0.036288 0.025441 4C 2s 0.046813 -0.000352 0.071211 -0.067327 0.079116 0.055460 4C 3s -0.077439 0.000654 -0.118260 0.113369 -0.131941 -0.092542 4C 4s -0.079831 0.000214 -0.161986 0.142859 -0.181191 -0.126844 4C 5s -0.015991 -0.000128 -0.000397 0.010466 -0.017834 -0.006400 4C 1pz 0.080661 -0.000215 -0.006272 0.002200 -0.003460 0.002351 4C 1px 0.015980 0.000087 -0.003221 0.002870 -0.006064 -0.000523 4C 1py 0.053561 -0.000978 -0.004761 0.002204 -0.000492 -0.005207 4C 2pz 0.050163 -0.000161 0.005965 -0.011140 0.001617 0.005314 4C 2px 0.010610 0.000269 0.002456 -0.002241 -0.000207 0.001843 4C 2py 0.033437 -0.000756 0.004902 -0.007832 0.003871 -0.000366 4C 3pz -0.004895 0.000758 -0.019596 0.009942 -0.021607 -0.011265 4C 3px -0.000912 0.001123 -0.001312 -0.000448 0.000606 0.005149 4C 3py -0.003362 -0.002090 -0.012921 0.006078 -0.011660 -0.009774 4C 1dz2 -0.002549 -0.000021 0.001001 -0.000849 0.000401 0.000367 4C 1dxz -0.001793 -0.000005 0.001903 -0.001577 0.001394 0.001050 4C 1dyz -0.003178 0.000049 -0.000429 0.000357 -0.001122 -0.000811 4C 1dx2y2 0.002013 -0.000046 -0.002940 0.002447 -0.002402 -0.001610 4C 1dxy -0.000268 0.000001 -0.001347 0.001176 -0.001420 -0.000970 4C 2dz2 -0.004304 0.000642 -0.000948 0.001370 -0.001780 -0.000213 4C 2dxz -0.002584 0.000388 0.001888 -0.000742 0.001008 0.000698 4C 2dyz -0.004178 -0.000359 -0.004322 0.004377 -0.003815 -0.003438 4C 2dx2y2 0.003934 0.000396 -0.002836 0.001780 -0.002358 -0.000231 4C 2dxy 0.000389 0.000026 -0.002587 0.002083 -0.002029 -0.001289 4C 1f0 0.000062 0.000028 0.001101 -0.000966 0.001008 0.000725 4C 1f+1 -0.000001 -0.000004 0.002337 -0.002017 0.002308 0.001459 4C 1f-1 0.001348 0.000003 0.001765 -0.001704 0.001653 0.001229 4C 1f+2 -0.000374 0.000034 -0.002428 0.002146 -0.002344 -0.001453 4C 1f-2 0.000548 0.000049 0.000605 -0.000570 0.000506 0.000578 4C 1f+3 0.000196 -0.000052 -0.000016 -0.000040 0.000118 -0.000112 4C 1f-3 -0.000331 0.000041 0.001741 -0.001493 0.001612 0.001252 5C 1s 0.000114 -0.021837 0.030890 0.032560 0.023328 -0.038544 5C 2s 0.000246 -0.047161 0.067301 0.070995 0.050868 -0.084042 5C 3s -0.000412 0.077138 -0.111788 -0.119760 -0.085168 0.140291 5C 4s -0.000460 0.085127 -0.153198 -0.149856 -0.114558 0.191983 5C 5s 0.000023 0.013005 -0.000550 -0.011159 -0.009572 0.014609 5C 1pz -0.000342 -0.047539 -0.003528 -0.001854 -0.005580 -0.001663 5C 1px 0.000067 -0.030652 -0.002352 -0.000561 -0.000774 -0.000569 5C 1py -0.000854 0.081349 0.006988 0.003642 -0.000039 -0.003970 5C 2pz -0.000331 -0.029835 0.003289 0.006463 -0.002254 -0.004835 5C 2px -0.000084 -0.018971 0.000852 0.003730 -0.000253 -0.000270 5C 2py -0.000501 0.051339 -0.004496 -0.010256 -0.002756 0.002948 5C 3pz -0.002233 0.005203 -0.012201 -0.008522 -0.011151 0.012242 5C 3px 0.000084 0.003648 -0.004399 -0.001836 -0.002744 0.007253 5C 3py -0.000930 -0.008248 0.018295 0.011416 0.009281 -0.020127 5C 1dz2 0.000031 -0.000141 0.001656 0.001535 0.001008 -0.001809 5C 1dxz 0.000001 0.001801 0.001803 0.001676 0.000886 -0.001517 5C 1dyz -0.000005 -0.002570 0.001048 0.000996 0.001113 -0.001697 5C 1dx2y2 0.000046 -0.003181 -0.002532 -0.002347 -0.001262 0.001995 5C 1dxy 0.000019 -0.002286 -0.000705 -0.000696 -0.000161 0.000267 5C 2dz2 -0.000567 -0.000017 0.003048 0.002559 0.000686 -0.003239 5C 2dxz -0.000278 0.002814 0.001249 0.000832 0.000229 -0.000748 5C 2dyz 0.000299 -0.003226 0.004148 0.004357 0.002867 -0.003953 5C 2dx2y2 -0.000447 -0.004751 -0.001731 -0.000506 -0.000790 -0.000018 5C 2dxy -0.000027 -0.003570 0.001089 0.001700 0.000642 -0.002039 5C 1f0 0.000010 0.001010 -0.000120 -0.000252 -0.000006 0.000242 5C 1f+1 0.000027 0.000229 0.001316 0.001230 0.000938 -0.001289 5C 1f-1 0.000058 0.000045 -0.000261 -0.000242 -0.000014 0.000362 5C 1f+2 -0.000047 0.000926 -0.001053 -0.001117 -0.000820 0.001054 5C 1f-2 0.000021 0.000617 -0.002099 -0.002104 -0.001311 0.002250 5C 1f+3 0.000007 -0.000598 0.002292 0.002247 0.001443 -0.002423 5C 1f-3 0.000020 0.000058 -0.002148 -0.002065 -0.001301 0.002343 6C 1s 0.000321 0.022181 0.030830 0.032540 -0.023299 0.038598 6C 2s 0.000694 0.047903 0.067170 0.070953 -0.050804 0.084159 6C 3s -0.001128 -0.078359 -0.111571 -0.119699 0.085056 -0.140497 6C 4s -0.001193 -0.086385 -0.152895 -0.149715 0.114449 -0.192197 6C 5s -0.000478 -0.013166 -0.000544 -0.011172 0.009627 -0.014674 6C 1pz -0.001273 -0.048239 0.003529 0.001920 -0.005626 -0.001593 6C 1px -0.000534 -0.031118 0.002345 0.000555 -0.000692 -0.000672 6C 1py 0.000740 0.082555 -0.006990 -0.003643 -0.000004 -0.004007 6C 2pz -0.000913 -0.030277 -0.003307 -0.006432 -0.002272 -0.004825 6C 2px -0.000460 -0.019270 -0.000841 -0.003722 -0.000254 -0.000348 6C 2py 0.000492 0.052104 0.004505 0.010265 -0.002723 0.002967 6C 3pz -0.002277 0.005226 0.012079 0.008532 -0.011126 0.012257 6C 3px 0.000058 0.003672 0.004344 0.001803 -0.002745 0.007169 6C 3py -0.000809 -0.008295 -0.018188 -0.011438 0.009323 -0.020212 6C 1dz2 -0.000028 0.000145 0.001652 0.001532 -0.001006 0.001808 6C 1dxz -0.000037 -0.001829 0.001803 0.001677 -0.000888 0.001525 6C 1dyz 0.000056 0.002607 0.001045 0.000996 -0.001114 0.001701 6C 1dx2y2 0.000017 0.003224 -0.002529 -0.002345 0.001260 -0.001996 6C 1dxy 0.000026 0.002322 -0.000704 -0.000697 0.000164 -0.000273 6C 2dz2 0.000567 0.000017 0.003053 0.002558 -0.000699 0.003251 6C 2dxz 0.000234 -0.002844 0.001244 0.000820 -0.000218 0.000744 6C 2dyz -0.000239 0.003277 0.004136 0.004349 -0.002856 0.003954 6C 2dx2y2 0.000525 0.004822 -0.001725 -0.000519 0.000803 0.000010 6C 2dxy 0.000087 0.003601 0.001114 0.001724 -0.000663 0.002075 6C 1f0 0.000029 0.001024 0.000122 0.000252 -0.000006 0.000243 6C 1f+1 0.000030 0.000232 -0.001314 -0.001230 0.000937 -0.001291 6C 1f-1 0.000059 0.000047 0.000260 0.000240 -0.000013 0.000360 6C 1f+2 -0.000029 0.000941 0.001050 0.001116 -0.000817 0.001055 6C 1f-2 0.000035 0.000629 0.002096 0.002102 -0.001310 0.002255 6C 1f+3 -0.000007 -0.000609 -0.002288 -0.002245 0.001443 -0.002426 6C 1f-3 0.000023 0.000061 0.002146 0.002063 -0.001300 0.002346 7C 1s -0.022470 0.000045 0.032524 -0.030648 -0.036544 -0.025538 7C 2s -0.048537 0.000099 0.070855 -0.066816 -0.079674 -0.055672 7C 3s 0.080282 -0.000240 -0.117682 0.112517 0.132884 0.092905 7C 4s 0.082743 0.000237 -0.161111 0.141693 0.182391 0.127282 7C 5s 0.016606 0.000284 -0.000368 0.010532 0.018097 0.006422 7C 1pz 0.083351 0.000225 0.006162 -0.002117 -0.003380 0.002415 7C 1px 0.016422 0.000174 0.003254 -0.002908 -0.006196 -0.000673 7C 1py 0.055710 -0.000686 0.004806 -0.002214 -0.000544 -0.005232 7C 2pz 0.051823 0.000110 -0.006011 0.011158 0.001743 0.005420 7C 2px 0.010893 0.000316 -0.002454 0.002204 -0.000201 0.001769 7C 2py 0.034745 -0.000579 -0.004894 0.007835 0.003927 -0.000317 7C 3pz -0.004871 0.000799 0.019412 -0.009824 -0.021659 -0.011371 7C 3px -0.001017 0.001118 0.001193 0.000563 0.000759 0.005199 7C 3py -0.003311 -0.002074 0.012851 -0.005967 -0.011618 -0.009833 7C 1dz2 0.002620 0.000035 0.001006 -0.000853 -0.000418 -0.000378 7C 1dxz 0.001844 0.000015 0.001897 -0.001567 -0.001407 -0.001051 7C 1dyz 0.003301 -0.000031 -0.000427 0.000353 0.001129 0.000814 7C 1dx2y2 -0.002096 0.000034 -0.002926 0.002429 0.002419 0.001616 7C 1dxy 0.000279 0.000001 -0.001340 0.001167 0.001432 0.000977 7C 2dz2 0.004397 -0.000625 -0.000930 0.001354 0.001776 0.000202 7C 2dxz 0.002638 -0.000377 0.001890 -0.000741 -0.001036 -0.000707 7C 2dyz 0.004332 0.000377 -0.004319 0.004373 0.003871 0.003469 7C 2dx2y2 -0.004026 -0.000409 -0.002802 0.001751 0.002356 0.000222 7C 2dxy -0.000369 -0.000025 -0.002564 0.002069 0.002040 0.001293 7C 1f0 0.000059 0.000028 -0.001087 0.000950 0.001008 0.000721 7C 1f+1 0.000004 -0.000003 -0.002316 0.001994 0.002314 0.001458 7C 1f-1 0.001400 0.000010 -0.001756 0.001692 0.001666 0.001236 7C 1f+2 -0.000405 0.000032 0.002421 -0.002136 -0.002368 -0.001463 7C 1f-2 0.000567 0.000052 -0.000606 0.000569 0.000513 0.000581 7C 1f+3 0.000207 -0.000051 0.000019 0.000039 0.000114 -0.000113 7C 1f-3 -0.000330 0.000040 -0.001742 0.001491 0.001634 0.001265 8C 1s 0.000873 0.062292 -0.015575 -0.015941 0.010090 -0.016670 8C 2s 0.001868 0.133503 -0.033621 -0.034423 0.021793 -0.036009 8C 3s -0.002855 -0.203887 0.049556 0.050753 -0.032721 0.053857 8C 4s -0.003299 -0.239238 0.087035 0.089194 -0.052432 0.088090 8C 5s 0.000472 -0.036393 -0.022697 -0.006098 0.003668 -0.006647 8C 1pz 0.000127 0.012557 0.026980 0.030033 -0.022689 0.035523 8C 1px 0.000078 0.006060 0.018494 0.020334 -0.014523 0.024248 8C 1py -0.000288 -0.017876 -0.047899 -0.052994 0.036848 -0.064301 8C 2pz -0.000248 0.011051 0.014996 0.016636 -0.015681 0.022527 8C 2px -0.000020 0.004310 0.010710 0.011672 -0.009199 0.014956 8C 2py -0.000388 -0.015188 -0.027093 -0.029780 0.023245 -0.040512 8C 3pz 0.000969 -0.000484 0.008953 0.006429 -0.001622 0.005354 8C 3px -0.000006 0.002709 0.007920 0.006840 -0.005616 0.009260 8C 3py 0.000727 -0.002318 -0.018188 -0.015177 0.010813 -0.017730 8C 1dz2 0.000038 0.000345 0.000556 0.000610 -0.000348 0.000830 8C 1dxz -0.000000 -0.000569 -0.001014 -0.001130 0.000846 -0.001388 8C 1dyz 0.000015 0.001686 0.002506 0.002793 -0.002063 0.003455 8C 1dx2y2 0.000021 0.001083 0.001965 0.002190 -0.001600 0.002704 8C 1dxy 0.000010 0.001009 0.001699 0.001887 -0.001397 0.002327 8C 2dz2 0.000042 0.000391 0.000031 -0.000007 0.000162 0.000158 8C 2dxz 0.000021 -0.001595 -0.000214 -0.000143 0.000647 -0.000686 8C 2dyz 0.000010 0.002025 0.000391 0.000216 -0.000706 0.000704 8C 2dx2y2 0.000060 0.002363 0.000357 0.000266 -0.001042 0.001719 8C 2dxy -0.000003 0.001992 0.000238 0.000095 -0.000754 0.000964 8C 1f0 -0.000005 -0.000288 -0.000169 -0.000201 0.000251 -0.000391 8C 1f+1 -0.000007 0.000443 -0.000151 -0.000149 0.000072 -0.000184 8C 1f-1 0.000048 0.000986 -0.000438 -0.000466 0.000408 -0.000467 8C 1f+2 -0.000052 -0.004037 0.001222 0.001269 -0.000721 0.001241 8C 1f-2 -0.000027 -0.003152 0.000921 0.000946 -0.000507 0.000922 8C 1f+3 0.000029 0.001499 -0.000287 -0.000283 0.000107 -0.000126 8C 1f-3 -0.000024 -0.000367 0.000004 -0.000021 0.000055 -0.000177 9C 1s -0.062874 0.000113 -0.016437 0.015023 0.015814 0.011069 9C 2s -0.134712 0.000242 -0.035457 0.032416 0.034137 0.023886 9C 3s 0.204738 -0.000347 0.051664 -0.047187 -0.050715 -0.035291 9C 4s 0.245081 -0.000537 0.094409 -0.086713 -0.084462 -0.060326 9C 5s 0.028359 0.000406 -0.025852 0.006152 0.007061 0.005598 9C 1pz -0.018747 0.000063 0.050053 -0.049459 -0.058772 -0.041130 9C 1px -0.002037 0.000021 0.011523 -0.011452 -0.014195 -0.009225 9C 1py -0.013033 -0.000029 0.033635 -0.033286 -0.038776 -0.029581 9C 2pz -0.016307 0.000277 0.027655 -0.027112 -0.037311 -0.025188 9C 2px -0.001104 0.000156 0.006670 -0.006656 -0.008532 -0.004978 9C 2py -0.011161 -0.000320 0.018340 -0.018031 -0.023990 -0.019103 9C 3pz -0.000534 -0.000594 0.018276 -0.012604 -0.013626 -0.010353 9C 3px -0.002503 -0.000477 0.005393 -0.004539 -0.008643 -0.007800 9C 3py -0.001326 0.000954 0.011866 -0.008104 -0.009139 -0.005451 9C 1dz2 0.001104 -0.000027 -0.002088 0.002075 0.002553 0.001736 9C 1dxz 0.000465 -0.000004 -0.001048 0.001046 0.001286 0.000900 9C 1dyz 0.001751 0.000011 -0.003163 0.003139 0.003813 0.002780 9C 1dx2y2 -0.000526 -0.000016 0.000993 -0.000984 -0.001170 -0.000895 9C 1dxy 0.000396 -0.000018 -0.000616 0.000616 0.000800 0.000474 9C 2dz2 0.002518 -0.000079 0.000303 -0.000450 0.000570 -0.000045 9C 2dxz 0.001214 -0.000018 -0.000137 0.000071 0.001185 0.000860 9C 2dyz 0.003430 0.000005 0.000116 -0.000340 0.000629 0.000492 9C 2dx2y2 -0.001148 -0.000035 0.000549 -0.000444 -0.001286 -0.001115 9C 2dxy 0.000487 0.000007 -0.000165 0.000127 0.000367 0.000205 9C 1f0 -0.001245 0.000038 -0.000492 0.000450 0.000421 0.000413 9C 1f+1 -0.000793 0.000020 -0.000185 0.000157 0.000015 0.000096 9C 1f-1 -0.002975 0.000012 -0.000685 0.000616 0.000401 0.000289 9C 1f+2 0.003222 0.000022 0.001002 -0.000927 -0.000924 -0.000563 9C 1f-2 -0.002882 0.000009 -0.000955 0.000888 0.000840 0.000608 9C 1f+3 0.001755 -0.000006 0.000740 -0.000712 -0.000842 -0.000612 9C 1f-3 0.000226 -0.000011 0.000128 -0.000131 -0.000162 -0.000146 10H 1s -0.048282 0.000355 0.026690 -0.025368 0.027754 0.019966 10H 2s -0.051665 0.000364 0.032276 -0.030383 0.032119 0.023064 10H 3s -0.005839 0.000259 0.012256 -0.011478 0.016073 0.012565 10H 1pz -0.004005 0.000025 0.000281 -0.000212 0.000083 0.000095 10H 1px 0.005732 -0.000037 -0.003380 0.003230 -0.003417 -0.002403 10H 1py -0.001390 0.000004 -0.000471 0.000484 -0.000586 -0.000498 11H 1s -0.049586 0.000339 0.026650 -0.025332 0.028262 0.019127 11H 2s -0.052818 0.000466 0.032129 -0.030188 0.033606 0.023184 11H 3s -0.009695 -0.000306 0.010506 -0.009116 0.008151 0.004246 11H 1pz -0.004782 0.000074 0.000502 -0.000406 0.000376 0.000233 11H 1px -0.004587 0.000056 0.001984 -0.001867 0.002153 0.001512 11H 1py 0.002926 -0.000020 -0.002883 0.002795 -0.003200 -0.002305 12H 1s -0.049174 0.000374 0.026925 -0.025642 0.028087 0.020619 12H 2s -0.052612 0.000406 0.033154 -0.031193 0.033956 0.024938 12H 3s -0.009509 0.000469 0.010992 -0.009994 0.009878 0.007835 12H 1pz 0.001197 -0.000020 -0.002655 0.002589 -0.002957 -0.002119 12H 1px -0.002997 0.000014 0.001225 -0.001145 0.001298 0.000995 12H 1py -0.006460 0.000027 0.002235 -0.002092 0.002257 0.001588 13H 1s -0.000260 0.048881 0.025338 0.026969 0.018423 -0.030228 13H 2s -0.000302 0.053400 0.031033 0.032794 0.021505 -0.035944 13H 3s 0.000319 0.004628 0.011152 0.011464 0.010607 -0.016034 13H 1pz -0.000036 0.005013 0.001448 0.001516 0.000879 -0.001567 13H 1px 0.000029 -0.004809 -0.003005 -0.003226 -0.002126 0.003553 13H 1py 0.000019 -0.002840 0.000352 0.000428 0.000297 -0.000594 14H 1s -0.000257 0.049468 0.025274 0.026804 0.018426 -0.029780 14H 2s -0.000255 0.052955 0.030665 0.032173 0.021621 -0.035010 14H 3s 0.000334 0.008135 0.010224 0.010436 0.007847 -0.011852 14H 1pz -0.000031 0.003865 0.000856 0.000872 0.000475 -0.000812 14H 1px -0.000045 0.006197 0.002394 0.002517 0.001703 -0.002747 14H 1py 0.000003 0.000772 0.002204 0.002404 0.001632 -0.002817 15H 1s -0.000299 0.050373 0.025143 0.026606 0.017169 -0.030128 15H 2s -0.000196 0.053616 0.030309 0.031700 0.020733 -0.035904 15H 3s -0.000438 0.009629 0.009177 0.008571 0.003361 -0.007495 15H 1pz 0.000017 -0.004455 -0.003329 -0.003585 -0.002511 0.004229 15H 1px 0.000006 0.001421 -0.000030 -0.000061 -0.000048 0.000058 15H 1py -0.000013 -0.005845 -0.000916 -0.000888 -0.000539 0.000887 16H 1s 0.000287 -0.000201 -0.000326 -0.006765 0.033700 -0.002769 16H 2s 0.000452 -0.000080 0.001778 -0.009392 0.039581 -0.002660 16H 3s 0.000717 -0.000019 -0.001176 -0.003362 0.013066 0.001333 16H 1pz 0.000025 0.000006 -0.000060 -0.000532 0.002389 -0.000073 16H 1px -0.000059 0.000021 -0.000711 0.000642 -0.002081 -0.000024 16H 1py -0.000016 -0.000032 -0.000139 -0.000395 0.002521 -0.000783 17H 1s -0.000246 0.000257 -0.003030 0.006585 -0.033511 0.005686 17H 2s -0.000137 0.000331 -0.001280 0.008846 -0.038741 0.007374 17H 3s -0.000148 0.000669 -0.002083 0.002981 -0.011218 0.004561 17H 1pz -0.000021 0.000004 0.000433 0.000013 0.000138 -0.000130 17H 1px 0.000019 -0.000047 -0.000292 -0.000777 0.002832 -0.000785 17H 1py -0.000039 -0.000025 -0.000379 0.000424 -0.002962 -0.000045 18H 1s 0.000262 -0.000251 -0.002982 0.006436 0.033593 -0.004657 18H 2s 0.000158 -0.000320 -0.001239 0.008591 0.038832 -0.006174 18H 3s 0.000177 -0.000647 -0.002066 0.002897 0.011291 -0.004191 18H 1pz -0.000020 0.000003 -0.000443 0.000008 0.000231 -0.000131 18H 1px 0.000023 -0.000044 0.000292 0.000758 0.002866 -0.000695 18H 1py -0.000040 -0.000026 0.000367 -0.000395 -0.002941 -0.000146 19H 1s -0.000295 0.000189 -0.000382 -0.006600 -0.033722 0.001732 19H 2s -0.000478 0.000067 0.001701 -0.009268 -0.039673 0.001469 19H 3s -0.000745 0.000004 -0.001210 -0.003317 -0.013078 -0.001704 19H 1pz 0.000027 0.000008 0.000068 0.000508 0.002320 0.000016 19H 1px -0.000064 0.000020 0.000706 -0.000645 -0.002122 -0.000078 19H 1py -0.000014 -0.000031 0.000147 0.000404 0.002576 -0.000698 20H 1s -0.000690 -0.051120 0.025096 0.026579 -0.017140 0.030162 20H 2s -0.000867 -0.054430 0.030246 0.031666 -0.020689 0.035929 20H 3s 0.000261 -0.009760 0.009179 0.008577 -0.003371 0.007551 20H 1pz -0.000073 -0.004530 0.003324 0.003584 -0.002508 0.004235 20H 1px 0.000035 0.001496 0.000005 0.000035 -0.000029 0.000026 20H 1py -0.000128 -0.005919 0.000906 0.000879 -0.000531 0.000875 21H 1s -0.000713 -0.050213 0.025224 0.026786 -0.018394 0.029809 21H 2s -0.000782 -0.053766 0.030624 0.032166 -0.021595 0.035073 21H 3s -0.000498 -0.008215 0.010137 0.010364 -0.007743 0.011725 21H 1pz 0.000043 0.003961 -0.000874 -0.000892 0.000488 -0.000836 21H 1px 0.000077 0.006269 -0.002380 -0.002505 0.001694 -0.002741 21H 1py 0.000019 0.000799 -0.002210 -0.002413 0.001639 -0.002834 22H 1s -0.000698 -0.049601 0.025291 0.026954 -0.018401 0.030286 22H 2s -0.000737 -0.054170 0.030970 0.032771 -0.021477 0.036005 22H 3s -0.000438 -0.004747 0.011142 0.011493 -0.010616 0.016118 22H 1pz 0.000061 0.005051 -0.001429 -0.001497 0.000867 -0.001552 22H 1px -0.000065 -0.004895 0.003005 0.003230 -0.002126 0.003563 22H 1py -0.000037 -0.002911 -0.000336 -0.000410 0.000285 -0.000576 23H 1s 0.050945 -0.000107 0.026792 -0.025449 -0.028285 -0.020695 23H 2s 0.054484 -0.000116 0.032985 -0.030950 -0.034209 -0.025037 23H 3s 0.009906 -0.000421 0.010916 -0.009878 -0.009811 -0.007789 23H 1pz 0.001268 -0.000013 0.002656 -0.002584 -0.002997 -0.002141 23H 1px -0.003005 -0.000003 -0.001166 0.001086 0.001253 0.000959 23H 1py -0.006729 -0.000009 -0.002237 0.002088 0.002289 0.001607 24H 1s 0.051327 -0.000069 0.026529 -0.025161 -0.028491 -0.019222 24H 2s 0.054694 -0.000174 0.031981 -0.029980 -0.033860 -0.023285 24H 3s 0.009949 0.000357 0.010498 -0.009100 -0.008325 -0.004346 24H 1pz -0.004930 0.000047 -0.000494 0.000399 0.000372 0.000230 24H 1px -0.004823 0.000030 -0.002010 0.001887 0.002208 0.001545 24H 1py 0.002972 -0.000003 0.002844 -0.002752 -0.003193 -0.002293 25H 1s 0.050011 -0.000092 0.026562 -0.025183 -0.027967 -0.020024 25H 2s 0.053512 -0.000084 0.032146 -0.030188 -0.032397 -0.023148 25H 3s 0.006113 -0.000205 0.012206 -0.011410 -0.016226 -0.012642 25H 1pz -0.004182 0.000004 -0.000302 0.000231 0.000106 0.000108 25H 1px 0.005925 -0.000006 0.003357 -0.003201 -0.003437 -0.002405 25H 1py -0.001380 -0.000003 0.000506 -0.000515 -0.000627 -0.000526 26O 1s -0.012828 0.000091 -0.014961 0.014823 -0.018894 -0.013125 26O 2s -0.030667 0.000218 -0.035721 0.035450 -0.045223 -0.031418 26O 3s 0.046819 -0.000342 0.052188 -0.052662 0.067852 0.047208 26O 4s 0.059032 -0.000359 0.087219 -0.083395 0.101541 0.070182 26O 5s 0.044603 -0.000507 0.061411 -0.062348 0.099703 0.068651 26O 1pz 0.023048 0.000461 0.027686 -0.027023 0.019692 0.019113 26O 1px 0.004825 0.000351 0.085359 -0.079548 0.097600 0.069183 26O 1py 0.015444 -0.001131 0.049127 -0.046604 0.053989 0.029050 26O 2pz 0.020820 0.000393 0.024495 -0.023575 0.017944 0.017120 26O 2px 0.003781 0.000301 0.065053 -0.060240 0.073705 0.052476 26O 2py 0.013941 -0.000999 0.039428 -0.037184 0.043181 0.022840 26O 3pz 0.010211 -0.000247 0.003873 -0.005000 0.010930 0.011784 26O 3px -0.000069 -0.000081 0.023359 -0.026563 0.030013 0.022868 26O 3py 0.006044 0.000280 0.011964 -0.012903 0.020254 0.011964 26O 1dz2 -0.000055 0.000038 0.001417 -0.001317 0.001325 0.000983 26O 1dxz -0.000841 0.000004 -0.000368 0.000376 -0.000359 -0.000328 26O 1dyz -0.000528 -0.000022 -0.000008 -0.000080 -0.000261 -0.000277 26O 1dx2y2 0.000283 0.000001 -0.001534 0.001358 -0.001647 -0.001163 26O 1dxy -0.000453 0.000033 -0.001559 0.001383 -0.001794 -0.001125 26O 2dz2 0.000317 0.000035 0.003360 -0.003500 0.003693 0.002995 26O 2dxz -0.002565 0.000060 0.000745 -0.000213 0.001014 0.000682 26O 2dyz -0.000294 -0.000014 0.001944 -0.002044 0.002824 0.001819 26O 2dx2y2 0.001070 0.000050 -0.003573 0.003306 -0.003854 -0.002578 26O 2dxy -0.000983 -0.000018 -0.002233 0.002301 -0.002041 -0.001275 26O 1f0 -0.000407 0.000008 -0.000239 0.000235 -0.000261 -0.000196 26O 1f+1 0.000343 0.000001 -0.000268 0.000260 -0.000330 -0.000172 26O 1f-1 0.000204 -0.000002 0.000005 -0.000163 -0.000000 0.000057 26O 1f+2 0.000201 0.000000 0.000039 0.000000 0.000000 0.000068 26O 1f-2 0.000608 -0.000006 0.000520 -0.000555 0.000591 0.000426 26O 1f+3 0.000437 0.000001 -0.000058 0.000022 -0.000036 -0.000109 26O 1f-3 -0.000063 -0.000004 -0.000757 0.000747 -0.000871 -0.000576 27O 1s -0.000083 0.013014 -0.014014 -0.015414 -0.011942 0.019668 27O 2s -0.000199 0.031094 -0.033430 -0.036835 -0.028554 0.047049 27O 3s 0.000320 -0.047199 0.048438 0.054366 0.042497 -0.070293 27O 4s 0.000325 -0.060817 0.082430 0.087333 0.064918 -0.105759 27O 5s 0.000416 -0.047626 0.062251 0.067949 0.064192 -0.110921 27O 1pz -0.000937 -0.013559 0.006822 0.007803 -0.004781 -0.005482 27O 1px -0.000148 -0.008797 0.088093 0.090538 0.065008 -0.108799 27O 1py -0.000820 0.022908 -0.034290 -0.036463 -0.022958 0.030857 27O 2pz -0.000831 -0.012409 0.007024 0.007858 -0.002932 -0.006548 27O 2px -0.000174 -0.006766 0.067001 0.068701 0.049270 -0.082197 27O 2py -0.000677 0.020443 -0.029062 -0.030592 -0.019936 0.026426 27O 3pz 0.000383 -0.006624 0.001171 0.000469 0.000616 -0.007256 27O 3px -0.000023 -0.000186 0.021985 0.028363 0.019448 -0.031858 27O 3py -0.000078 0.010263 -0.006350 -0.008408 -0.009690 0.014292 27O 1dz2 -0.000041 -0.000268 0.001274 0.001240 0.000878 -0.001622 27O 1dxz 0.000012 0.000582 0.000184 0.000152 0.000195 -0.000127 27O 1dyz 0.000014 -0.000178 -0.000182 -0.000294 0.000091 -0.000111 27O 1dx2y2 -0.000014 -0.000148 -0.002074 -0.002066 -0.001402 0.002305 27O 1dxy 0.000019 -0.000930 0.000823 0.000822 0.000681 -0.001058 27O 2dz2 -0.000045 0.000074 0.001426 0.001579 0.000625 -0.001536 27O 2dxz -0.000060 0.001666 0.001552 0.001475 0.001310 -0.002023 27O 2dyz 0.000015 0.000756 -0.001600 -0.002097 -0.001472 0.002689 27O 2dx2y2 -0.000035 -0.000544 -0.004017 -0.004563 -0.003115 0.004744 27O 2dxy 0.000002 -0.002226 -0.000597 -0.000193 -0.000681 0.001171 27O 1f0 -0.000004 0.000393 -0.000079 -0.000196 -0.000010 0.000137 27O 1f+1 -0.000004 -0.000010 -0.000506 -0.000559 -0.000406 0.000617 27O 1f-1 0.000005 -0.000147 0.000113 0.000095 0.000106 -0.000124 27O 1f+2 0.000001 -0.000199 -0.000138 -0.000258 -0.000169 0.000168 27O 1f-2 -0.000000 0.000289 -0.000180 -0.000250 -0.000095 0.000260 27O 1f+3 0.000005 -0.000563 -0.000246 -0.000199 -0.000143 0.000311 27O 1f-3 -0.000001 -0.000523 0.000526 0.000566 0.000406 -0.000627 28O 1s -0.013232 0.000090 -0.014707 0.014501 -0.018329 -0.012855 28O 2s -0.031616 0.000214 -0.035114 0.034681 -0.043867 -0.030777 28O 3s 0.048009 -0.000336 0.051236 -0.051491 0.065754 0.046346 28O 4s 0.062093 -0.000387 0.085438 -0.081333 0.097993 0.067765 28O 5s 0.045773 0.000124 0.067860 -0.065661 0.106255 0.074522 28O 1pz 0.023331 0.000434 0.072643 -0.067825 0.068707 0.053885 28O 1px 0.004454 0.000365 -0.063087 0.057451 -0.075465 -0.049179 28O 1py 0.015524 -0.001125 0.020367 -0.019492 0.018282 0.005738 28O 2pz 0.020303 0.000341 0.057531 -0.053517 0.053738 0.042719 28O 2px 0.004884 0.000350 -0.046061 0.041822 -0.055222 -0.035761 28O 2py 0.013934 -0.000988 0.017709 -0.016784 0.016276 0.005373 28O 3pz 0.009970 -0.000528 0.014574 -0.016851 0.022196 0.019247 28O 3px 0.004493 0.000162 -0.016538 0.019908 -0.018461 -0.012458 28O 3py 0.007536 0.000154 0.002179 -0.002987 0.008505 0.003179 28O 1dz2 -0.000732 0.000022 -0.000100 0.000070 -0.000202 -0.000184 28O 1dxz 0.000320 0.000024 0.002237 -0.002002 0.002200 0.001632 28O 1dyz -0.000576 0.000003 -0.000122 0.000029 -0.000452 -0.000285 28O 1dx2y2 0.000374 0.000030 -0.001335 0.001141 -0.001431 -0.000893 28O 1dxy 0.000425 -0.000027 0.000432 -0.000459 0.000335 0.000150 28O 2dz2 -0.001907 0.000080 0.001488 -0.001176 0.001953 0.001522 28O 2dxz 0.000879 -0.000025 0.003474 -0.003728 0.003343 0.002766 28O 2dyz -0.000345 -0.000032 0.001871 -0.001931 0.002786 0.001854 28O 2dx2y2 0.001498 0.000036 -0.003029 0.002858 -0.003301 -0.002060 28O 2dxy 0.001703 0.000013 0.000151 -0.000550 0.000255 0.000138 28O 1f0 0.000433 0.000003 -0.000012 0.000013 -0.000064 0.000053 28O 1f+1 -0.000454 0.000009 -0.000453 0.000444 -0.000445 -0.000392 28O 1f-1 0.000454 -0.000001 0.000385 -0.000516 0.000438 0.000303 28O 1f+2 -0.000344 0.000002 0.000402 -0.000327 0.000427 0.000319 28O 1f-2 -0.000339 0.000001 -0.000232 0.000168 -0.000274 -0.000128 28O 1f+3 -0.000340 0.000003 0.000193 -0.000206 0.000215 0.000161 28O 1f-3 -0.000165 -0.000003 -0.000119 0.000143 -0.000132 -0.000060 29O 1s 0.000078 0.000078 0.000870 -0.000023 0.000193 0.000991 29O 2s 0.000190 0.000188 0.002168 -0.000058 0.000476 0.002384 29O 3s -0.000332 -0.000288 -0.004337 0.000123 -0.000881 -0.003751 29O 4s -0.000166 -0.000363 -0.001288 -0.000086 -0.000483 -0.004741 29O 5s -0.000910 -0.000440 -0.010122 0.000703 -0.001924 -0.006410 29O 1pz -0.000622 0.000504 -0.000567 0.015943 -0.084162 0.009600 29O 1px -0.000254 0.000168 -0.008398 0.005698 -0.031361 0.004728 29O 1py -0.000206 -0.000362 0.001405 -0.001208 0.006789 -0.009273 29O 2pz -0.000664 0.000501 0.000146 0.013009 -0.069435 0.007745 29O 2px -0.000238 0.000231 -0.008632 0.004612 -0.025878 0.004344 29O 2py -0.000240 -0.000410 0.001450 -0.000961 0.005499 -0.007719 29O 3pz 0.000157 0.000102 -0.000965 0.003593 -0.028615 0.003583 29O 3px -0.000054 -0.000299 -0.000788 0.001222 -0.010947 -0.000124 29O 3py 0.000111 0.000122 0.000982 -0.000339 0.002746 -0.004773 29O 1dz2 0.000010 -0.000008 0.000024 -0.000240 0.001112 -0.000145 29O 1dxz -0.000008 0.000009 -0.000034 0.000204 -0.000997 0.000159 29O 1dyz 0.000017 -0.000011 0.000046 -0.000445 0.002001 -0.000245 29O 1dx2y2 -0.000005 -0.000000 -0.000033 0.000053 -0.000296 -0.000045 29O 1dxy 0.000004 -0.000008 0.000138 -0.000192 0.000883 -0.000113 29O 2dz2 -0.000056 -0.000004 -0.000148 -0.000502 0.002263 -0.000595 29O 2dxz 0.000057 -0.000044 -0.000211 0.000328 -0.001783 0.000214 29O 2dyz 0.000024 -0.000075 0.000054 -0.001049 0.004908 -0.000638 29O 2dx2y2 -0.000002 -0.000053 0.000037 0.000048 -0.000435 -0.000381 29O 2dxy 0.000093 0.000075 0.000635 -0.000436 0.002098 0.000182 29O 1f0 0.000002 0.000001 0.000079 0.000064 -0.000427 0.000048 29O 1f+1 0.000005 -0.000005 -0.000066 0.000076 -0.000419 0.000048 29O 1f-1 -0.000000 0.000004 0.000051 0.000053 -0.000393 0.000029 29O 1f+2 -0.000008 -0.000001 -0.000058 0.000002 0.000004 -0.000013 29O 1f-2 0.000007 0.000001 0.000061 -0.000104 0.000754 -0.000094 29O 1f+3 -0.000003 -0.000007 -0.000062 0.000019 -0.000192 0.000029 29O 1f-3 0.000004 0.000009 -0.000077 0.000041 -0.000359 0.000090 30O 1s -0.000081 0.013325 -0.013949 -0.015423 -0.012014 0.019679 30O 2s -0.000194 0.031831 -0.033289 -0.036873 -0.028751 0.047103 30O 3s 0.000310 -0.048207 0.048431 0.054633 0.043099 -0.070772 30O 4s 0.000314 -0.062600 0.081182 0.086255 0.064052 -0.103986 30O 5s 0.000630 -0.046882 0.061080 0.069167 0.066371 -0.110343 30O 1pz -0.000933 -0.014025 0.052104 0.054517 0.031653 -0.063872 30O 1px -0.000151 -0.008267 -0.051964 -0.053372 -0.045455 0.070007 30O 1py -0.000830 0.023404 -0.059787 -0.063554 -0.044459 0.064300 30O 2pz -0.000809 -0.012076 0.041309 0.042860 0.024199 -0.050211 30O 2px -0.000136 -0.008299 -0.037559 -0.038480 -0.033242 0.050686 30O 2py -0.000725 0.020353 -0.048445 -0.051220 -0.035771 0.051620 30O 3pz 0.000153 -0.005608 0.011335 0.015621 0.011453 -0.024941 30O 3px 0.000070 -0.006478 -0.015508 -0.019525 -0.012187 0.018444 30O 3py 0.000230 0.010287 -0.011765 -0.015697 -0.016521 0.025303 30O 1dz2 -0.000013 0.000138 0.000407 0.000353 0.000384 -0.000566 30O 1dxz -0.000037 0.000041 0.001463 0.001458 0.000927 -0.001698 30O 1dyz 0.000017 -0.000728 0.000915 0.000846 0.000837 -0.001372 30O 1dx2y2 -0.000016 -0.000847 -0.000550 -0.000536 -0.000397 0.000535 30O 1dxy -0.000025 0.000209 -0.001641 -0.001710 -0.001151 0.001720 30O 2dz2 -0.000064 0.001211 0.000489 0.000249 0.000155 -0.000490 30O 2dxz -0.000011 0.000026 0.003002 0.003434 0.002015 -0.003875 30O 2dyz 0.000035 -0.000691 -0.000342 -0.000372 -0.000633 0.001234 30O 2dx2y2 -0.000024 -0.002399 -0.002677 -0.002525 -0.002228 0.003359 30O 2dxy 0.000013 0.001099 -0.002983 -0.003672 -0.002305 0.003834 30O 1f0 -0.000002 0.000074 -0.000467 -0.000608 -0.000407 0.000592 30O 1f+1 -0.000005 0.000163 -0.000056 -0.000098 0.000016 0.000094 30O 1f-1 0.000003 0.000287 -0.000279 -0.000327 -0.000146 0.000395 30O 1f+2 -0.000002 0.000741 -0.000261 -0.000394 -0.000211 0.000340 30O 1f-2 0.000002 -0.000111 0.000589 0.000566 0.000441 -0.000726 30O 1f+3 -0.000001 0.000410 -0.000172 -0.000139 -0.000153 0.000181 30O 1f-3 -0.000004 0.000413 0.000214 0.000232 0.000176 -0.000263 31O 1s -0.000188 -0.013530 -0.013917 -0.015414 0.012003 -0.019711 31O 2s -0.000447 -0.032320 -0.033213 -0.036852 0.028723 -0.047180 31O 3s 0.000659 0.048939 0.048318 0.054605 -0.043059 0.070889 31O 4s 0.000993 0.063619 0.081006 0.086195 -0.063974 0.104144 31O 5s 0.000167 0.047465 0.060840 0.069092 -0.066314 0.110515 31O 1pz -0.001231 -0.014269 -0.052026 -0.054462 0.031678 -0.064021 31O 1px -0.000307 -0.008373 0.051854 0.053380 -0.045477 0.070184 31O 1py -0.000340 0.023809 0.059681 0.063567 -0.044456 0.064502 31O 2pz -0.001053 -0.012275 -0.041255 -0.042821 0.024229 -0.050332 31O 2px -0.000299 -0.008417 0.037484 0.038498 -0.033269 0.050828 31O 2py -0.000316 0.020698 0.048361 0.051233 -0.035771 0.051786 31O 3pz 0.000095 -0.005663 -0.011302 -0.015570 0.011451 -0.024954 31O 3px -0.000004 -0.006518 0.015532 0.019565 -0.012208 0.018525 31O 3py 0.000327 0.010398 0.011769 0.015722 -0.016567 0.025377 31O 1dz2 0.000009 -0.000140 0.000406 0.000353 -0.000384 0.000567 31O 1dxz 0.000037 -0.000041 0.001461 0.001457 -0.000927 0.001702 31O 1dyz -0.000006 0.000737 0.000913 0.000845 -0.000837 0.001374 31O 1dx2y2 0.000030 0.000858 -0.000549 -0.000537 0.000398 -0.000537 31O 1dxy 0.000020 -0.000214 -0.001638 -0.001709 0.001150 -0.001724 31O 2dz2 0.000041 -0.001230 0.000485 0.000244 -0.000154 0.000483 31O 2dxz 0.000008 -0.000026 0.003001 0.003436 -0.002018 0.003886 31O 2dyz -0.000013 0.000710 -0.000340 -0.000369 0.000631 -0.001234 31O 2dx2y2 0.000078 0.002438 -0.002676 -0.002530 0.002229 -0.003367 31O 2dxy -0.000031 -0.001116 -0.002976 -0.003671 0.002307 -0.003841 31O 1f0 -0.000000 0.000076 0.000466 0.000608 -0.000407 0.000594 31O 1f+1 -0.000001 0.000166 0.000056 0.000097 0.000016 0.000093 31O 1f-1 0.000009 0.000291 0.000279 0.000327 -0.000146 0.000396 31O 1f+2 0.000014 0.000753 0.000260 0.000394 -0.000211 0.000341 31O 1f-2 0.000001 -0.000113 -0.000587 -0.000566 0.000442 -0.000728 31O 1f+3 0.000007 0.000416 0.000171 0.000139 -0.000154 0.000182 31O 1f-3 0.000004 0.000419 -0.000214 -0.000232 0.000176 -0.000265 32O 1s -0.000080 -0.000077 0.000867 -0.000021 -0.000179 -0.000992 32O 2s -0.000195 -0.000185 0.002162 -0.000052 -0.000445 -0.002388 32O 3s 0.000341 0.000284 -0.004330 0.000117 0.000847 0.003754 32O 4s 0.000178 0.000354 -0.001268 -0.000127 0.000361 0.004762 32O 5s 0.000910 0.000447 -0.010101 0.000845 0.001964 0.006387 32O 1pz -0.000637 0.000491 0.000502 -0.015594 -0.084531 0.007215 32O 1px -0.000268 0.000169 0.008360 -0.005507 -0.031123 0.003823 32O 1py -0.000210 -0.000356 -0.001343 0.000834 0.004826 -0.008864 32O 2pz -0.000676 0.000489 -0.000191 -0.012720 -0.069735 0.005787 32O 2px -0.000253 0.000234 0.008604 -0.004460 -0.025684 0.003600 32O 2py -0.000245 -0.000404 -0.001395 0.000661 0.003891 -0.007383 32O 3pz 0.000185 0.000103 0.000955 -0.003465 -0.028696 0.002770 32O 3px -0.000059 -0.000285 0.000766 -0.001182 -0.010832 -0.000430 32O 3py 0.000122 0.000120 -0.000955 0.000331 0.002109 -0.004643 32O 1dz2 -0.000010 0.000008 0.000021 -0.000219 -0.001029 0.000102 32O 1dxz 0.000008 -0.000009 -0.000036 0.000207 0.001041 -0.000131 32O 1dyz -0.000019 0.000011 0.000043 -0.000443 -0.002037 0.000189 32O 1dx2y2 0.000005 -0.000000 -0.000035 0.000062 0.000346 0.000050 32O 1dxy -0.000004 0.000008 0.000135 -0.000179 -0.000845 0.000083 32O 2dz2 0.000059 0.000002 -0.000153 -0.000456 -0.002055 0.000503 32O 2dxz -0.000054 0.000042 -0.000220 0.000342 0.001890 -0.000160 32O 2dyz -0.000022 0.000075 0.000043 -0.001036 -0.004977 0.000511 32O 2dx2y2 -0.000000 0.000054 0.000027 0.000061 0.000563 0.000387 32O 2dxy -0.000094 -0.000074 0.000626 -0.000418 -0.002028 -0.000245 32O 1f0 0.000003 0.000001 -0.000075 -0.000058 -0.000412 0.000034 32O 1f+1 0.000005 -0.000004 0.000069 -0.000078 -0.000438 0.000036 32O 1f-1 0.000000 0.000004 -0.000053 -0.000053 -0.000413 0.000018 32O 1f+2 -0.000008 -0.000001 0.000062 -0.000002 0.000004 -0.000011 32O 1f-2 0.000007 0.000001 -0.000058 0.000101 0.000748 -0.000070 32O 1f+3 -0.000003 -0.000007 0.000059 -0.000013 -0.000162 0.000020 32O 1f-3 0.000004 0.000009 0.000076 -0.000039 -0.000357 0.000079 33O 1s 0.013707 -0.000015 -0.014619 0.014377 0.018437 0.012888 33O 2s 0.032751 -0.000037 -0.034903 0.034384 0.044124 0.030857 33O 3s -0.049711 0.000066 0.050923 -0.051048 -0.066129 -0.046468 33O 4s -0.064470 0.000026 0.084950 -0.080664 -0.098630 -0.067941 33O 5s -0.047058 -0.000351 0.067404 -0.064982 -0.106758 -0.074683 33O 1pz 0.024214 0.000565 -0.072191 0.067220 0.069093 0.053935 33O 1px 0.004549 0.000388 0.062721 -0.056957 -0.075856 -0.049277 33O 1py 0.016184 -0.001037 -0.020331 0.019451 0.018506 0.005847 33O 2pz 0.021035 0.000448 -0.057183 0.053045 0.054047 0.042756 33O 2px 0.005023 0.000379 0.045789 -0.041455 -0.055498 -0.035828 33O 2py 0.014507 -0.000914 -0.017674 0.016740 0.016468 0.005456 33O 3pz 0.010172 -0.000505 -0.014415 0.016593 0.022180 0.019232 33O 3px 0.004559 0.000182 0.016436 -0.019765 -0.018536 -0.012492 33O 3py 0.007698 0.000176 -0.002143 0.002934 0.008495 0.003213 33O 1dz2 0.000752 -0.000019 -0.000096 0.000065 0.000199 0.000182 33O 1dxz -0.000334 -0.000026 0.002224 -0.001985 -0.002214 -0.001635 33O 1dyz 0.000593 -0.000001 -0.000123 0.000028 0.000454 0.000287 33O 1dx2y2 -0.000386 -0.000032 -0.001328 0.001132 0.001440 0.000895 33O 1dxy -0.000444 0.000025 0.000433 -0.000459 -0.000342 -0.000154 33O 2dz2 0.001972 -0.000067 0.001480 -0.001162 -0.001965 -0.001528 33O 2dxz -0.000911 0.000021 0.003452 -0.003698 -0.003358 -0.002770 33O 2dyz 0.000374 0.000036 0.001859 -0.001910 -0.002800 -0.001855 33O 2dx2y2 -0.001554 -0.000046 -0.003013 0.002836 0.003322 0.002070 33O 2dxy -0.001768 -0.000023 0.000152 -0.000552 -0.000260 -0.000141 33O 1f0 0.000445 0.000005 0.000013 -0.000014 -0.000065 0.000052 33O 1f+1 -0.000469 0.000006 0.000449 -0.000439 -0.000446 -0.000391 33O 1f-1 0.000471 0.000001 -0.000383 0.000513 0.000442 0.000305 33O 1f+2 -0.000356 0.000000 -0.000400 0.000323 0.000428 0.000319 33O 1f-2 -0.000352 -0.000001 0.000232 -0.000168 -0.000277 -0.000130 33O 1f+3 -0.000353 0.000001 -0.000192 0.000205 0.000217 0.000162 33O 1f-3 -0.000172 -0.000004 0.000119 -0.000143 -0.000134 -0.000061 34O 1s -0.000179 -0.013206 -0.013984 -0.015405 0.011922 -0.019688 34O 2s -0.000427 -0.031553 -0.033358 -0.036814 0.028504 -0.047096 34O 3s 0.000628 0.047890 0.048324 0.054334 -0.042416 0.070362 34O 4s 0.000945 0.061759 0.082296 0.087305 -0.064835 0.105885 34O 5s 0.000384 0.048152 0.062040 0.067860 -0.064114 0.110980 34O 1pz -0.001215 -0.013773 -0.006802 -0.007708 -0.004829 -0.005442 34O 1px -0.000348 -0.008968 -0.087921 -0.090470 0.064839 -0.108840 34O 1py -0.000346 0.023285 0.034244 0.036481 -0.022898 0.030896 34O 2pz -0.001080 -0.012601 -0.007014 -0.007781 -0.002971 -0.006522 34O 2px -0.000317 -0.006902 -0.066868 -0.068645 0.049130 -0.082218 34O 2py -0.000265 0.020774 0.029023 0.030603 -0.019887 0.026451 34O 3pz 0.000325 -0.006663 -0.001121 -0.000409 0.000589 -0.007216 34O 3px -0.000016 -0.000204 -0.021919 -0.028325 0.019323 -0.031872 34O 3py 0.000019 0.010352 0.006339 0.008445 -0.009666 0.014351 34O 1dz2 0.000045 0.000272 0.001272 0.001238 -0.000877 0.001623 34O 1dxz -0.000022 -0.000590 0.000185 0.000154 -0.000196 0.000129 34O 1dyz -0.000014 0.000179 -0.000182 -0.000294 -0.000092 0.000110 34O 1dx2y2 0.000015 0.000148 -0.002070 -0.002065 0.001399 -0.002306 34O 1dxy -0.000004 0.000943 0.000822 0.000821 -0.000680 0.001059 34O 2dz2 0.000046 -0.000070 0.001423 0.001575 -0.000618 0.001537 34O 2dxz 0.000023 -0.001692 0.001549 0.001474 -0.001309 0.002026 34O 2dyz -0.000023 -0.000763 -0.001597 -0.002094 0.001467 -0.002691 34O 2dx2y2 0.000048 0.000549 -0.004008 -0.004561 0.003104 -0.004749 34O 2dxy 0.000048 0.002262 -0.000594 -0.000190 0.000686 -0.001172 34O 1f0 0.000004 0.000399 0.000078 0.000195 -0.000009 0.000136 34O 1f+1 -0.000004 -0.000010 0.000504 0.000559 -0.000404 0.000617 34O 1f-1 0.000002 -0.000149 -0.000112 -0.000095 0.000106 -0.000124 34O 1f+2 -0.000002 -0.000202 0.000138 0.000259 -0.000169 0.000170 34O 1f-2 0.000006 0.000293 0.000180 0.000249 -0.000094 0.000260 34O 1f+3 -0.000007 -0.000571 0.000245 0.000199 -0.000143 0.000311 34O 1f-3 -0.000011 -0.000531 -0.000525 -0.000566 0.000404 -0.000627 35O 1s 0.013285 -0.000019 -0.014879 0.014705 0.019021 0.013179 35O 2s 0.031757 -0.000045 -0.035526 0.035168 0.045526 0.031545 35O 3s -0.048464 0.000079 0.051892 -0.052233 -0.068294 -0.047393 35O 4s -0.061281 0.000016 0.086793 -0.082791 -0.102288 -0.070497 35O 5s -0.045946 0.000266 0.060850 -0.061606 -0.100078 -0.068833 35O 1pz 0.023901 0.000590 -0.027629 0.026908 0.019969 0.019237 35O 1px 0.005046 0.000380 -0.084946 0.078940 0.098327 0.069540 35O 1py 0.016131 -0.001042 -0.048984 0.046387 0.054489 0.029348 35O 2pz 0.021575 0.000505 -0.024442 0.023471 0.018189 0.017228 35O 2px 0.003914 0.000316 -0.064757 0.059788 0.074274 0.052756 35O 2py 0.014532 -0.000926 -0.039325 0.037017 0.043595 0.023086 35O 3pz 0.010368 -0.000227 -0.003858 0.004933 0.011003 0.011821 35O 3px -0.000085 -0.000105 -0.023273 0.026363 0.030254 0.022978 35O 3py 0.006146 0.000287 -0.011920 0.012811 0.020384 0.012053 35O 1dz2 0.000052 -0.000038 0.001412 -0.001309 -0.001338 -0.000989 35O 1dxz 0.000868 0.000001 -0.000367 0.000373 0.000362 0.000329 35O 1dyz 0.000541 0.000024 -0.000006 -0.000082 0.000261 0.000277 35O 1dx2y2 -0.000294 -0.000002 -0.001527 0.001347 0.001658 0.001168 35O 1dxy 0.000471 -0.000031 -0.001553 0.001374 0.001809 0.001133 35O 2dz2 -0.000324 -0.000034 0.003347 -0.003475 -0.003725 -0.003008 35O 2dxz 0.002653 -0.000044 0.000737 -0.000203 -0.001011 -0.000678 35O 2dyz 0.000315 0.000018 0.001937 -0.002033 -0.002847 -0.001829 35O 2dx2y2 -0.001119 -0.000058 -0.003559 0.003282 0.003881 0.002587 35O 2dxy 0.001026 0.000023 -0.002230 0.002294 0.002070 0.001289 35O 1f0 -0.000421 0.000006 0.000239 -0.000234 -0.000264 -0.000198 35O 1f+1 0.000354 0.000003 0.000268 -0.000258 -0.000333 -0.000174 35O 1f-1 0.000211 -0.000000 -0.000005 0.000163 0.000000 0.000057 35O 1f+2 0.000206 0.000001 -0.000039 -0.000002 0.000000 0.000068 35O 1f-2 0.000630 -0.000003 -0.000519 0.000553 0.000597 0.000429 35O 1f+3 0.000455 0.000004 0.000055 -0.000019 -0.000033 -0.000106 35O 1f-3 -0.000066 -0.000004 0.000755 -0.000742 -0.000878 -0.000581 72 73 74 75 76 77 -0.52034 -0.51798 -0.49385 -0.48802 -0.46825 -0.46686 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s -0.000024 0.000043 -0.004487 0.000140 -0.000084 0.000034 0Rh 2s 0.000094 -0.000157 0.016932 -0.000540 0.000313 -0.000127 0Rh 3s -0.000082 0.000151 -0.015433 0.000471 -0.000292 0.000116 0Rh 4s -0.000396 0.000655 -0.071232 0.002257 -0.001314 0.000536 0Rh 5s 0.000322 -0.000456 0.053617 -0.001574 0.000908 -0.000423 0Rh 6s 0.000551 -0.001150 0.111358 -0.003797 0.002372 -0.000729 0Rh 7s -0.000364 0.001851 -0.144121 0.003913 -0.001259 -0.000264 0Rh 8s -0.001105 0.001579 -0.028911 0.000675 -0.008351 0.000871 0Rh 1pz 0.002449 -0.002849 -0.000548 0.000057 0.004700 0.012257 0Rh 1px 0.000750 -0.001033 0.001799 -0.000035 -0.000992 0.004762 0Rh 1py -0.000136 0.000175 0.000424 -0.000028 0.013169 -0.004135 0Rh 2pz -0.008245 0.009616 0.001836 -0.000186 -0.015871 -0.041382 0Rh 2px -0.002528 0.003484 -0.006019 0.000120 0.003356 -0.016080 0Rh 2py 0.000459 -0.000589 -0.001415 0.000097 -0.044460 0.013959 0Rh 3pz 0.006253 -0.007653 -0.001193 0.000054 0.012522 0.032636 0Rh 3px 0.001935 -0.002724 0.003814 -0.000112 -0.002769 0.012720 0Rh 3py -0.000367 0.000445 0.000844 -0.000113 0.035025 -0.011005 0Rh 4pz 0.011259 -0.012230 -0.003224 0.000553 0.020797 0.054074 0Rh 4px 0.003385 -0.004593 0.010972 -0.000074 -0.003931 0.020843 0Rh 4py -0.000534 0.000827 0.002766 -0.000006 0.058220 -0.018184 0Rh 5pz -0.000969 0.001679 0.001432 -0.000470 -0.002134 -0.005210 0Rh 5px -0.000176 0.000844 -0.005355 -0.000092 -0.000314 -0.001670 0Rh 5py -0.000131 -0.000262 -0.001575 -0.000139 -0.005620 0.001641 0Rh 6pz -0.014972 -0.013620 -0.009996 0.000545 0.003006 0.006484 0Rh 6px -0.005335 -0.006636 0.028600 -0.000086 -0.000190 0.000755 0Rh 6py 0.002401 0.002755 0.007093 -0.000532 0.002871 -0.002446 0Rh 1dz2 -0.002259 -0.003021 0.009848 0.017503 -0.001508 -0.003404 0Rh 1dxz 0.005354 0.003778 0.012718 -0.002136 0.002770 0.005372 0Rh 1dyz 0.003146 -0.000978 0.004389 0.044306 -0.002018 0.001773 0Rh 1dx2y2 0.001893 0.001136 -0.019187 0.007555 -0.000802 0.002277 0Rh 1dxy 0.000849 -0.000615 -0.007194 0.017894 0.007312 -0.001425 0Rh 2dz2 -0.000002 0.000028 -0.000243 -0.000361 0.000049 0.000094 0Rh 2dxz -0.000057 -0.000042 -0.000310 0.000034 -0.000077 -0.000153 0Rh 2dyz -0.000081 -0.000003 -0.000108 -0.000935 0.000056 -0.000050 0Rh 2dx2y2 -0.000018 -0.000013 0.000467 -0.000171 0.000029 -0.000070 0Rh 2dxy -0.000036 -0.000006 0.000164 -0.000370 -0.000209 0.000035 0Rh 3dz2 0.003406 0.004396 -0.013648 -0.024687 0.002122 0.004801 0Rh 3dxz -0.007815 -0.005502 -0.017703 0.003062 -0.003947 -0.007586 0Rh 3dyz -0.004347 0.001455 -0.006100 -0.062436 0.002824 -0.002485 0Rh 3dx2y2 -0.002751 -0.001640 0.026641 -0.010629 0.001075 -0.003164 0Rh 3dxy -0.001158 0.000916 0.010069 -0.025256 -0.010247 0.001974 0Rh 4dz2 0.003725 0.005473 -0.019508 -0.034346 0.002989 0.006618 0Rh 4dxz -0.009570 -0.006841 -0.025134 0.004075 -0.005349 -0.010399 0Rh 4dyz -0.006311 0.001685 -0.008740 -0.086981 0.003940 -0.003393 0Rh 4dx2y2 -0.003388 -0.002076 0.038160 -0.014871 0.001596 -0.004461 0Rh 4dxy -0.001851 0.001000 0.014138 -0.035081 -0.014210 0.002741 0Rh 5dz2 0.005262 0.005907 -0.016732 -0.027407 0.002188 0.005767 0Rh 5dxz -0.010903 -0.007471 -0.021717 0.003746 -0.004930 -0.009644 0Rh 5dyz -0.004931 0.002183 -0.007354 -0.069716 0.003081 -0.003717 0Rh 5dx2y2 -0.003858 -0.002106 0.032270 -0.012098 0.001676 -0.004013 0Rh 5dxy -0.000912 0.001605 0.012193 -0.028374 -0.012876 0.002642 0Rh 1f0 0.000481 -0.000063 0.000413 0.000311 -0.002656 0.001793 0Rh 1f+1 0.000827 0.001252 -0.000378 -0.000405 -0.001060 -0.001653 0Rh 1f-1 -0.000249 0.001101 -0.000082 0.000533 -0.005069 -0.002749 0Rh 1f+2 -0.000224 -0.001982 -0.000480 0.000294 0.000502 0.005308 0Rh 1f-2 -0.000186 -0.000315 -0.000262 -0.001038 -0.003675 0.001771 0Rh 1f+3 0.000141 0.001043 -0.000607 0.000195 0.001477 -0.003270 0Rh 1f-3 0.000028 -0.000157 -0.000342 0.000569 -0.001771 0.000816 1Rh 1s -0.000027 -0.000039 0.004487 -0.000140 -0.000077 0.000042 1Rh 2s 0.000104 0.000140 -0.016932 0.000541 0.000287 -0.000157 1Rh 3s -0.000092 -0.000136 0.015432 -0.000471 -0.000267 0.000144 1Rh 4s -0.000439 -0.000586 0.071231 -0.002262 -0.001202 0.000665 1Rh 5s 0.000355 0.000402 -0.053619 0.001578 0.000826 -0.000520 1Rh 6s 0.000619 0.001048 -0.111348 0.003803 0.002187 -0.000937 1Rh 7s -0.000490 -0.001769 0.144087 -0.003870 -0.000994 -0.000012 1Rh 8s -0.001002 -0.001469 0.028925 -0.000766 -0.008198 0.001240 1Rh 1pz -0.002497 -0.002797 -0.000521 0.000075 -0.004699 -0.012262 1Rh 1px -0.000789 -0.001023 0.001805 -0.000031 0.000997 -0.004754 1Rh 1py 0.000232 0.000229 0.000439 0.000002 -0.013173 0.004133 1Rh 2pz 0.008408 0.009442 0.001743 -0.000248 0.015868 0.041400 1Rh 2px 0.002658 0.003452 -0.006039 0.000104 -0.003371 0.016052 1Rh 2py -0.000781 -0.000771 -0.001466 -0.000005 0.044474 -0.013952 1Rh 3pz -0.006385 -0.007521 -0.001117 0.000104 -0.012522 -0.032651 1Rh 3px -0.002037 -0.002701 0.003830 -0.000099 0.002779 -0.012699 1Rh 3py 0.000626 0.000581 0.000885 -0.000033 -0.035038 0.010998 1Rh 4pz -0.011461 -0.011995 -0.003115 0.000630 -0.020788 -0.054097 1Rh 4px -0.003555 -0.004543 0.010997 -0.000057 0.003959 -0.020802 1Rh 4py 0.000937 0.001082 0.002828 0.000127 -0.058233 0.018183 1Rh 5pz 0.000979 0.001667 0.001445 -0.000476 0.002131 0.005212 1Rh 5px 0.000203 0.000831 -0.005355 -0.000084 0.000304 0.001662 1Rh 5py 0.000095 -0.000298 -0.001573 -0.000152 0.005612 -0.001647 1Rh 6pz 0.014930 -0.014044 -0.010091 0.000634 -0.003136 -0.006502 1Rh 6px 0.005142 -0.006765 0.028575 -0.000139 0.000169 -0.000757 1Rh 6py -0.002287 0.002754 0.007113 -0.000409 -0.002830 0.002386 1Rh 1dz2 -0.002189 0.003054 -0.009836 -0.017481 -0.001551 -0.003423 1Rh 1dxz 0.005325 -0.003918 -0.012733 0.002139 0.002715 0.005365 1Rh 1dyz 0.003156 0.000971 -0.004381 -0.044313 -0.002143 0.001736 1Rh 1dx2y2 0.001865 -0.001145 0.019194 -0.007542 -0.000800 0.002314 1Rh 1dxy 0.000959 0.000477 0.007188 -0.017916 0.007258 -0.001470 1Rh 2dz2 -0.000002 -0.000028 0.000242 0.000361 0.000050 0.000095 1Rh 2dxz -0.000056 0.000043 0.000310 -0.000034 -0.000076 -0.000153 1Rh 2dyz -0.000081 0.000004 0.000107 0.000935 0.000059 -0.000050 1Rh 2dx2y2 -0.000017 0.000013 -0.000467 0.000170 0.000029 -0.000071 1Rh 2dxy -0.000037 0.000007 -0.000163 0.000371 -0.000208 0.000036 1Rh 3dz2 0.003302 -0.004446 0.013631 0.024657 0.002183 0.004828 1Rh 3dxz -0.007776 0.005711 0.017724 -0.003065 -0.003869 -0.007575 1Rh 3dyz -0.004361 -0.001448 0.006089 0.062446 0.003001 -0.002433 1Rh 3dx2y2 -0.002713 0.001656 -0.026650 0.010613 0.001073 -0.003216 1Rh 3dxy -0.001318 -0.000715 -0.010060 0.025286 -0.010171 0.002038 1Rh 4dz2 0.003601 -0.005531 0.019486 0.034307 0.003070 0.006654 1Rh 4dxz -0.009509 0.007084 0.025162 -0.004080 -0.005245 -0.010386 1Rh 4dyz -0.006334 -0.001660 0.008722 0.086996 0.004187 -0.003324 1Rh 4dx2y2 -0.003333 0.002090 -0.038175 0.014843 0.001592 -0.004536 1Rh 4dxy -0.002046 -0.000754 -0.014125 0.035127 -0.014107 0.002824 1Rh 5dz2 0.005116 -0.005974 0.016707 0.027361 0.002273 0.005806 1Rh 5dxz -0.010861 0.007781 0.021738 -0.003751 -0.004826 -0.009622 1Rh 5dyz -0.004936 -0.002190 0.007339 0.069715 0.003293 -0.003642 1Rh 5dx2y2 -0.003820 0.002128 -0.032273 0.012089 0.001667 -0.004069 1Rh 5dxy -0.001136 -0.001318 -0.012184 0.028408 -0.012786 0.002729 1Rh 1f0 -0.000513 -0.000055 0.000410 0.000306 0.002656 -0.001794 1Rh 1f+1 -0.000808 0.001265 -0.000384 -0.000409 0.001061 0.001654 1Rh 1f-1 0.000233 0.001092 -0.000091 0.000517 0.005074 0.002750 1Rh 1f+2 0.000185 -0.001996 -0.000472 0.000297 -0.000508 -0.005308 1Rh 1f-2 0.000135 -0.000313 -0.000266 -0.001045 0.003672 -0.001769 1Rh 1f+3 -0.000097 0.001041 -0.000609 0.000193 -0.001475 0.003268 1Rh 1f-3 -0.000069 -0.000134 -0.000342 0.000567 0.001773 -0.000810 2C 1s 0.001282 0.005706 -0.000528 -0.000340 0.000553 0.000251 2C 2s 0.002767 0.012307 -0.001132 -0.000733 0.001216 0.000558 2C 3s -0.004171 -0.017600 0.001746 0.001235 -0.001930 -0.000908 2C 4s -0.006624 -0.034900 0.002913 0.001448 -0.003026 -0.001352 2C 5s -0.004090 0.002651 0.003531 0.005452 -0.023076 -0.015361 2C 1pz 0.006802 0.027108 -0.016569 -0.015103 0.023249 0.016198 2C 1px -0.002529 0.004459 0.043615 0.042183 -0.060143 -0.047525 2C 1py 0.003003 0.016967 0.006448 0.007003 -0.009764 -0.007999 2C 2pz 0.004439 0.015563 -0.011461 -0.010560 0.016028 0.011500 2C 2px -0.001408 0.002185 0.031090 0.030266 -0.044766 -0.035496 2C 2py 0.001802 0.009139 0.004713 0.005231 -0.008177 -0.006253 2C 3pz 0.000751 0.006704 -0.003643 -0.003294 0.003348 0.001443 2C 3px -0.001075 0.002934 0.013882 0.013358 -0.018437 -0.013831 2C 3py 0.000635 0.004398 0.002939 0.003239 -0.005819 -0.003925 2C 1dz2 0.000341 0.001163 -0.001005 -0.000880 0.001156 0.000823 2C 1dxz 0.000000 0.000472 0.000713 0.000617 -0.000534 -0.000423 2C 1dyz 0.000299 0.001634 0.000496 0.000559 -0.000843 -0.000761 2C 1dx2y2 -0.000220 -0.000525 0.001283 0.001236 -0.001864 -0.001479 2C 1dxy -0.000034 0.000315 0.000793 0.000707 -0.000790 -0.000584 2C 2dz2 0.000146 -0.000011 -0.001272 -0.001232 0.001364 0.001034 2C 2dxz -0.000213 0.000321 0.002339 0.002197 -0.002855 -0.002067 2C 2dyz 0.000278 -0.000536 -0.000059 -0.000028 0.000173 0.000226 2C 2dx2y2 0.000037 -0.000272 0.000076 -0.000080 0.000386 0.000324 2C 2dxy -0.000063 -0.000186 0.001786 0.001662 -0.001876 -0.001580 2C 1f0 0.000034 -0.000084 -0.000799 -0.000751 0.000908 0.000716 2C 1f+1 -0.000036 -0.000061 0.000816 0.000739 -0.000916 -0.000741 2C 1f-1 0.000002 -0.000167 -0.000438 -0.000399 0.000482 0.000360 2C 1f+2 0.000022 0.000375 0.000264 0.000246 -0.000277 -0.000231 2C 1f-2 -0.000156 -0.000416 0.001187 0.001073 -0.001389 -0.001041 2C 1f+3 0.000020 0.000298 0.000510 0.000481 -0.000594 -0.000428 2C 1f-3 0.000051 0.000032 -0.000223 -0.000193 0.000212 0.000162 3C 1s -0.000706 0.004635 -0.000062 0.000210 -0.000016 0.000134 3C 2s -0.001520 0.010013 -0.000133 0.000456 -0.000050 0.000313 3C 3s 0.002197 -0.014715 0.000248 -0.000801 0.000093 -0.000664 3C 4s 0.003922 -0.026375 0.000412 -0.000892 0.000164 0.000212 3C 5s -0.000162 -0.004349 0.000836 -0.006149 0.014873 -0.011590 3C 1pz -0.000799 0.012326 -0.013025 0.015048 -0.013771 0.019830 3C 1px -0.004209 0.009554 0.040685 -0.045515 0.047051 -0.061991 3C 1py 0.002629 -0.021128 0.007106 -0.009053 0.008227 -0.011189 3C 2pz -0.000640 0.007926 -0.009248 0.010620 -0.010048 0.014760 3C 2px -0.002645 0.005609 0.029121 -0.032795 0.035246 -0.046299 3C 2py 0.002139 -0.011835 0.005021 -0.006224 0.005855 -0.008494 3C 3pz -0.000275 0.000192 -0.003718 0.003661 -0.001657 0.004120 3C 3px -0.001344 0.003416 0.013196 -0.014912 0.014571 -0.019076 3C 3py 0.000097 -0.005860 0.002122 -0.001774 -0.000688 -0.002041 3C 1dz2 0.000079 -0.000245 -0.000410 0.000411 -0.000312 0.000465 3C 1dxz -0.000070 0.000441 -0.000507 0.000660 -0.000894 0.001154 3C 1dyz 0.000149 -0.001146 -0.000013 0.000022 -0.000242 0.000303 3C 1dx2y2 0.000045 -0.000839 0.000945 -0.001055 0.000901 -0.001242 3C 1dxy 0.000247 -0.000836 -0.001413 0.001483 -0.001397 0.001747 3C 2dz2 0.000086 0.000279 -0.000599 0.000646 -0.000485 0.000592 3C 2dxz -0.000213 0.000324 0.000894 -0.001047 0.001156 -0.001192 3C 2dyz 0.000147 0.000044 0.000828 -0.000929 0.000827 -0.001232 3C 2dx2y2 0.000072 -0.000106 0.001319 -0.001356 0.001124 -0.001516 3C 2dxy 0.000218 -0.000116 -0.002173 0.002298 -0.001902 0.002376 3C 1f0 0.000013 -0.000111 -0.000034 0.000033 -0.000020 0.000056 3C 1f+1 0.000016 -0.000035 -0.000096 0.000100 -0.000056 0.000052 3C 1f-1 0.000009 -0.000199 0.000498 -0.000533 0.000458 -0.000644 3C 1f+2 -0.000101 0.000398 0.000792 -0.000834 0.000711 -0.000951 3C 1f-2 0.000002 0.000213 -0.000718 0.000761 -0.000680 0.000896 3C 1f+3 -0.000060 -0.000030 0.000722 -0.000767 0.000717 -0.000884 3C 1f-3 -0.000036 0.000039 0.000896 -0.000957 0.000854 -0.001106 4C 1s -0.002608 -0.012996 0.000723 0.000372 -0.000471 -0.000257 4C 2s -0.005672 -0.028318 0.001594 0.000830 -0.001043 -0.000570 4C 3s 0.008411 0.046510 -0.002432 -0.001427 0.001750 0.001179 4C 4s 0.019290 0.070011 -0.006441 -0.002914 0.003308 0.000358 4C 5s 0.007709 -0.000467 -0.005016 -0.005047 0.016999 0.007020 4C 1pz 0.002975 -0.004217 -0.036997 -0.033920 0.039933 0.031423 4C 1px -0.014828 -0.006129 0.116869 0.104470 -0.126654 -0.096671 4C 1py -0.003836 -0.006487 0.021442 0.019180 -0.025566 -0.016716 4C 2pz 0.002342 -0.008291 -0.020776 -0.019790 0.025253 0.019979 4C 2px -0.008013 -0.001847 0.064184 0.060242 -0.082030 -0.063337 4C 2py -0.001703 -0.006601 0.011562 0.011083 -0.017432 -0.011246 4C 3pz 0.000101 0.005242 0.000197 0.001730 -0.010759 -0.009413 4C 3px -0.001264 0.001124 0.007494 0.004612 0.006264 0.003701 4C 3py -0.000599 0.003455 0.003388 0.002681 -0.004548 -0.004477 4C 1dz2 0.000283 -0.000147 -0.001272 -0.000985 0.001056 0.001019 4C 1dxz -0.000724 -0.000626 0.002176 0.001666 -0.001850 -0.001708 4C 1dyz 0.000056 0.000280 -0.000133 -0.000106 0.000184 -0.000118 4C 1dx2y2 0.000158 0.000765 0.000084 0.000082 0.000136 -0.000362 4C 1dxy -0.000307 0.000335 0.001585 0.001228 -0.001877 -0.000650 4C 2dz2 -0.000740 0.001431 0.004855 0.003846 -0.001487 -0.000997 4C 2dxz 0.000110 0.001541 -0.008325 -0.007035 0.004467 0.003032 4C 2dyz 0.000056 0.002241 0.000422 0.000496 0.000319 -0.000346 4C 2dx2y2 0.000902 0.000109 -0.000374 -0.000213 -0.000414 -0.001033 4C 2dxy 0.001478 0.001391 -0.006543 -0.005399 0.002572 0.002432 4C 1f0 -0.000105 -0.000363 0.001341 0.001241 -0.001330 -0.000896 4C 1f+1 -0.000281 -0.000652 -0.001022 -0.000954 0.000973 0.000625 4C 1f-1 -0.000112 -0.000800 -0.000126 -0.000180 0.000502 0.000324 4C 1f+2 0.000324 0.000822 -0.001649 -0.001562 0.002041 0.001457 4C 1f-2 -0.000115 -0.000170 -0.000765 -0.000686 0.000229 0.000263 4C 1f+3 0.000097 -0.000083 -0.001888 -0.001782 0.002021 0.001783 4C 1f-3 -0.000085 -0.000386 -0.001049 -0.001065 0.001571 0.001235 5C 1s 0.001503 -0.010639 -0.000242 -0.000026 -0.000081 0.000039 5C 2s 0.003262 -0.023188 -0.000534 -0.000048 -0.000190 0.000102 5C 3s -0.004360 0.038474 0.000411 0.000528 -0.000376 0.000149 5C 4s -0.013705 0.055010 0.004164 -0.002633 0.005215 -0.002475 5C 5s -0.003893 -0.000401 -0.002198 0.004477 -0.001250 0.007232 5C 1pz 0.004436 -0.003107 -0.035627 0.036617 -0.031427 0.041622 5C 1px -0.011120 0.002383 0.107556 -0.113030 0.096560 -0.126024 5C 1py -0.003154 0.006780 0.020843 -0.021561 0.021041 -0.025449 5C 2pz 0.001824 -0.003077 -0.019806 0.021261 -0.019892 0.027294 5C 2px -0.006725 -0.002720 0.060455 -0.066326 0.063772 -0.082824 5C 2py -0.000550 0.006933 0.011059 -0.011799 0.012663 -0.016233 5C 3pz 0.000141 0.002756 -0.001780 -0.000046 0.007531 -0.004069 5C 3px -0.001502 -0.001418 0.005926 -0.005021 -0.002216 0.007121 5C 3py 0.000141 -0.000943 0.000798 0.001910 -0.010115 0.003913 5C 1dz2 0.000286 -0.000487 -0.000804 0.000714 -0.000337 0.000972 5C 1dxz -0.000193 -0.000371 0.000970 -0.000915 0.000330 -0.001313 5C 1dyz -0.000148 -0.000319 0.000957 -0.000862 0.000779 -0.000932 5C 1dx2y2 -0.000395 0.000564 0.001307 -0.001196 0.001033 -0.001305 5C 1dxy 0.000407 0.000037 -0.002067 0.001886 -0.001966 0.001757 5C 2dz2 0.000452 0.000494 0.002536 -0.002442 0.000801 -0.001001 5C 2dxz 0.000809 0.000415 -0.004303 0.004478 -0.002775 0.002264 5C 2dyz 0.000650 -0.002251 -0.003604 0.003506 -0.001543 0.001926 5C 2dx2y2 -0.000592 -0.001123 -0.003871 0.003752 -0.000379 0.001366 5C 2dxy -0.001279 -0.000275 0.007390 -0.007419 0.002622 -0.003854 5C 1f0 -0.000020 0.000166 0.001202 -0.001324 0.001325 -0.001592 5C 1f+1 0.000160 -0.000300 -0.000915 0.001024 -0.001145 0.001246 5C 1f-1 -0.000071 0.000005 -0.000184 0.000182 -0.000024 -0.000110 5C 1f+2 -0.000052 0.000452 -0.001563 0.001715 -0.001301 0.001641 5C 1f-2 -0.000058 0.000597 -0.000414 0.000533 -0.000778 0.001174 5C 1f+3 0.000245 -0.000621 -0.001879 0.002051 -0.001593 0.002249 5C 1f-3 -0.000206 0.000410 -0.001076 0.001164 -0.000685 0.001032 6C 1s 0.002106 0.010637 0.000248 0.000024 -0.000076 0.000024 6C 2s 0.004576 0.023183 0.000548 0.000044 -0.000180 0.000069 6C 3s -0.006502 -0.038463 -0.000413 -0.000534 -0.000407 0.000222 6C 4s -0.017046 -0.055023 -0.004295 0.002687 0.005259 -0.002458 6C 5s -0.003956 0.000429 0.002084 -0.004412 -0.001301 0.007309 6C 1pz -0.004621 -0.003096 -0.035671 0.036611 0.031484 -0.041621 6C 1px 0.011143 0.002507 0.107502 -0.112863 -0.096661 0.126130 6C 1py 0.003399 0.006815 0.020822 -0.021528 -0.021017 0.025305 6C 2pz -0.001994 -0.003047 -0.019805 0.021242 0.019916 -0.027288 6C 2px 0.006626 -0.002719 0.060404 -0.066216 -0.063843 0.082969 6C 2py 0.000832 0.006953 0.011006 -0.011763 -0.012619 0.016115 6C 3pz 0.000150 0.002890 -0.001763 -0.000032 -0.007613 0.004055 6C 3px 0.001614 -0.001525 0.005915 -0.005074 0.002154 -0.006969 6C 3py -0.000586 -0.001162 0.000775 0.001887 0.010240 -0.003920 6C 1dz2 0.000310 0.000485 0.000806 -0.000716 -0.000338 0.000977 6C 1dxz -0.000170 0.000371 -0.000969 0.000915 0.000331 -0.001316 6C 1dyz -0.000127 0.000319 -0.000957 0.000861 0.000779 -0.000931 6C 1dx2y2 -0.000427 -0.000567 -0.001306 0.001195 0.001034 -0.001307 6C 1dxy 0.000405 -0.000034 0.002065 -0.001880 -0.001966 0.001758 6C 2dz2 0.000499 -0.000495 -0.002526 0.002434 0.000782 -0.000985 6C 2dxz 0.000823 -0.000399 0.004326 -0.004483 -0.002801 0.002275 6C 2dyz 0.000758 0.002259 0.003611 -0.003513 -0.001547 0.001926 6C 2dx2y2 -0.000570 0.001123 0.003847 -0.003739 -0.000358 0.001331 6C 2dxy -0.001254 0.000283 -0.007402 0.007426 0.002645 -0.003852 6C 1f0 0.000029 0.000166 0.001202 -0.001323 -0.001327 0.001594 6C 1f+1 -0.000179 -0.000301 -0.000914 0.001021 0.001146 -0.001248 6C 1f-1 0.000075 0.000002 -0.000184 0.000181 0.000024 0.000111 6C 1f+2 0.000074 0.000452 -0.001564 0.001713 0.001304 -0.001645 6C 1f-2 0.000097 0.000598 -0.000410 0.000530 0.000776 -0.001173 6C 1f+3 -0.000284 -0.000622 -0.001881 0.002050 0.001597 -0.002253 6C 1f-3 0.000240 0.000411 -0.001071 0.001160 0.000682 -0.001027 7C 1s -0.002656 0.013062 -0.000750 -0.000395 -0.000468 -0.000258 7C 2s -0.005778 0.028463 -0.001652 -0.000880 -0.001037 -0.000574 7C 3s 0.008554 -0.046751 0.002516 0.001505 0.001740 0.001180 7C 4s 0.019730 -0.070331 0.006654 0.003061 0.003279 0.000382 7C 5s 0.007719 0.000207 0.005134 0.005151 0.017203 0.007191 7C 1pz -0.002852 -0.004056 -0.036823 -0.033739 -0.040162 -0.031528 7C 1px 0.014647 -0.006647 0.116533 0.104090 0.127054 0.096922 7C 1py 0.003744 -0.006645 0.021353 0.019095 0.025523 0.016669 7C 2pz -0.002334 -0.008238 -0.020689 -0.019702 -0.025446 -0.020071 7C 2px 0.008038 -0.002065 0.063932 0.060023 0.082278 0.063458 7C 2py 0.001659 -0.006716 0.011477 0.011024 0.017380 0.011186 7C 3pz -0.000216 0.005080 0.000198 0.001648 0.010760 0.009414 7C 3px 0.001398 0.001070 0.007506 0.004671 -0.006152 -0.003621 7C 3py 0.000487 0.003333 0.003396 0.002674 0.004631 0.004555 7C 1dz2 0.000280 0.000140 0.001265 0.000980 0.001059 0.001020 7C 1dxz -0.000722 0.000648 -0.002165 -0.001656 -0.001850 -0.001709 7C 1dyz 0.000059 -0.000282 0.000138 0.000108 0.000188 -0.000114 7C 1dx2y2 0.000165 -0.000771 -0.000080 -0.000080 0.000136 -0.000362 7C 1dxy -0.000305 -0.000320 -0.001585 -0.001225 -0.001885 -0.000657 7C 2dz2 -0.000759 -0.001406 -0.004871 -0.003846 -0.001525 -0.001024 7C 2dxz 0.000050 -0.001583 0.008326 0.007026 0.004513 0.003070 7C 2dyz 0.000083 -0.002260 -0.000424 -0.000494 0.000316 -0.000348 7C 2dx2y2 0.000910 -0.000092 0.000397 0.000229 -0.000400 -0.001020 7C 2dxy 0.001468 -0.001436 0.006543 0.005385 0.002582 0.002441 7C 1f0 0.000107 -0.000359 0.001339 0.001238 0.001337 0.000900 7C 1f+1 0.000287 -0.000653 -0.001018 -0.000950 -0.000977 -0.000627 7C 1f-1 0.000115 -0.000801 -0.000125 -0.000179 -0.000508 -0.000327 7C 1f+2 -0.000329 0.000832 -0.001646 -0.001559 -0.002048 -0.001461 7C 1f-2 0.000122 -0.000173 -0.000762 -0.000684 -0.000232 -0.000264 7C 1f+3 -0.000099 -0.000082 -0.001883 -0.001778 -0.002030 -0.001789 7C 1f-3 0.000095 -0.000390 -0.001039 -0.001058 -0.001569 -0.001232 8C 1s -0.000967 -0.004634 0.000064 -0.000213 -0.000023 0.000153 8C 2s -0.002084 -0.010011 0.000138 -0.000463 -0.000066 0.000355 8C 3s 0.003019 0.014709 -0.000255 0.000815 0.000122 -0.000735 8C 4s 0.005433 0.026385 -0.000444 0.000911 0.000200 0.000124 8C 5s -0.000486 0.004113 -0.000720 0.006027 0.015098 -0.011715 8C 1pz 0.001458 0.012324 -0.013036 0.015045 0.013824 -0.019945 8C 1px 0.004694 0.009588 0.040661 -0.045445 -0.047074 0.061955 8C 1py -0.003802 -0.021095 0.007093 -0.009043 -0.008277 0.011329 8C 2pz 0.001038 0.007917 -0.009235 0.010599 0.010066 -0.014818 8C 2px 0.002932 0.005620 0.029105 -0.032741 -0.035262 0.046273 8C 2py -0.002829 -0.011809 0.004996 -0.006210 -0.005871 0.008582 8C 3pz 0.000429 0.000238 -0.003753 0.003692 0.001683 -0.004167 8C 3px 0.001535 0.003511 0.013173 -0.014860 -0.014570 0.019006 8C 3py -0.000481 -0.005870 0.002119 -0.001765 0.000731 0.002047 8C 1dz2 0.000095 0.000245 0.000430 -0.000433 -0.000337 0.000497 8C 1dxz -0.000094 -0.000440 0.000501 -0.000653 -0.000889 0.001148 8C 1dyz 0.000212 0.001145 0.000024 -0.000034 -0.000255 0.000314 8C 1dx2y2 0.000091 0.000837 -0.000956 0.001068 0.000920 -0.001269 8C 1dxy 0.000290 0.000837 0.001401 -0.001467 -0.001382 0.001724 8C 2dz2 0.000078 -0.000278 0.000606 -0.000649 -0.000489 0.000593 8C 2dxz -0.000223 -0.000333 -0.000901 0.001050 0.001161 -0.001195 8C 2dyz 0.000138 -0.000058 -0.000825 0.000927 0.000832 -0.001241 8C 2dx2y2 0.000092 0.000099 -0.001309 0.001344 0.001114 -0.001506 8C 2dxy 0.000228 0.000120 0.002179 -0.002300 -0.001911 0.002383 8C 1f0 -0.000019 -0.000112 -0.000035 0.000035 0.000020 -0.000055 8C 1f+1 -0.000018 -0.000029 -0.000097 0.000101 0.000058 -0.000055 8C 1f-1 -0.000016 -0.000197 0.000497 -0.000532 -0.000459 0.000645 8C 1f+2 0.000123 0.000398 0.000793 -0.000835 -0.000713 0.000953 8C 1f-2 0.000014 0.000218 -0.000715 0.000758 0.000679 -0.000895 8C 1f+3 0.000059 -0.000027 0.000723 -0.000766 -0.000718 0.000884 8C 1f-3 0.000036 0.000044 0.000895 -0.000956 -0.000854 0.001106 9C 1s 0.001302 -0.005737 0.000539 0.000349 0.000547 0.000249 9C 2s 0.002811 -0.012375 0.001155 0.000753 0.001202 0.000553 9C 3s -0.004232 0.017701 -0.001776 -0.001265 -0.001912 -0.000903 9C 4s -0.006747 0.035069 -0.002970 -0.001485 -0.002954 -0.001314 9C 5s -0.003947 -0.002241 -0.003536 -0.005452 -0.023334 -0.015582 9C 1pz -0.006849 0.027240 -0.016564 -0.015093 -0.023203 -0.016173 9C 1px 0.002468 0.004315 0.043482 0.042026 0.060391 0.047672 9C 1py -0.003117 0.017120 0.006352 0.006913 0.009813 0.008013 9C 2pz -0.004450 0.015647 -0.011464 -0.010558 -0.016012 -0.011493 9C 2px 0.001371 0.002101 0.030976 0.030140 0.044925 0.035585 9C 2py -0.001897 0.009205 0.004610 0.005139 0.008160 0.006223 9C 3pz -0.000821 0.006614 -0.003646 -0.003310 -0.003318 -0.001409 9C 3px 0.001027 0.002913 0.013875 0.013324 0.018494 0.013901 9C 3py -0.000634 0.004449 0.002943 0.003214 0.005883 0.003948 9C 1dz2 0.000339 -0.001165 0.000996 0.000871 0.001144 0.000815 9C 1dxz 0.000006 -0.000468 -0.000679 -0.000584 -0.000492 -0.000390 9C 1dyz 0.000308 -0.001645 -0.000483 -0.000546 -0.000843 -0.000758 9C 1dx2y2 -0.000222 0.000540 -0.001273 -0.001225 -0.001859 -0.001473 9C 1dxy -0.000037 -0.000310 -0.000841 -0.000753 -0.000871 -0.000647 9C 2dz2 0.000136 0.000013 0.001275 0.001235 0.001382 0.001045 9C 2dxz -0.000215 -0.000303 -0.002319 -0.002178 -0.002857 -0.002059 9C 2dyz 0.000279 0.000528 0.000071 0.000037 0.000185 0.000238 9C 2dx2y2 0.000027 0.000259 -0.000082 0.000072 0.000377 0.000318 9C 2dxy -0.000053 0.000180 -0.001783 -0.001658 -0.001874 -0.001575 9C 1f0 -0.000028 -0.000082 -0.000792 -0.000744 -0.000905 -0.000714 9C 1f+1 0.000035 -0.000064 0.000810 0.000733 0.000915 0.000740 9C 1f-1 -0.000001 -0.000162 -0.000438 -0.000399 -0.000487 -0.000363 9C 1f+2 -0.000024 0.000387 0.000260 0.000243 0.000273 0.000227 9C 1f-2 0.000154 -0.000415 0.001187 0.001072 0.001396 0.001046 9C 1f+3 -0.000020 0.000292 0.000510 0.000480 0.000598 0.000430 9C 1f-3 -0.000055 0.000048 -0.000220 -0.000190 -0.000212 -0.000162 10H 1s -0.004055 -0.012026 0.020946 0.019966 -0.029652 -0.022791 10H 2s -0.005604 -0.014314 0.028864 0.028035 -0.042263 -0.032427 10H 3s -0.000170 -0.006662 0.004279 0.003464 -0.005077 -0.005401 10H 1pz -0.000234 -0.000018 0.002125 0.002034 -0.002741 -0.002186 10H 1px 0.000533 0.001488 -0.001779 -0.001687 0.002449 0.001789 10H 1py -0.000069 0.000266 0.001280 0.001238 -0.001698 -0.001284 11H 1s -0.001868 -0.011220 -0.006464 -0.006574 0.009069 0.007887 11H 2s -0.001946 -0.013759 -0.008864 -0.009211 0.014119 0.011968 11H 3s -0.001204 -0.003148 -0.000632 -0.001178 0.005007 0.003281 11H 1pz 0.000108 0.000041 -0.001468 -0.001415 0.002129 0.001640 11H 1px -0.000192 -0.000917 0.000644 0.000600 -0.000836 -0.000571 11H 1py 0.000202 0.001366 0.000705 0.000721 -0.001002 -0.000834 12H 1s -0.001398 -0.010832 -0.012284 -0.012387 0.018009 0.014453 12H 2s -0.001457 -0.013184 -0.016882 -0.017314 0.026695 0.021517 12H 3s -0.000264 -0.003593 -0.001759 -0.002232 0.006740 0.005729 12H 1pz 0.000307 0.001344 -0.000317 -0.000250 0.000442 0.000258 12H 1px -0.000117 -0.000550 0.000403 0.000361 -0.000445 -0.000344 12H 1py -0.000006 -0.000732 -0.002085 -0.002035 0.002962 0.002360 13H 1s 0.000178 -0.008870 0.017832 -0.020591 0.020917 -0.028249 13H 2s -0.000376 -0.010500 0.024315 -0.028558 0.029456 -0.039745 13H 3s 0.001221 -0.004534 0.003371 -0.003298 0.005253 -0.006502 13H 1pz -0.000122 -0.000336 0.002079 -0.002366 0.002282 -0.003048 13H 1px -0.000087 0.001137 -0.000718 0.000886 -0.000799 0.001110 13H 1py 0.000177 -0.000308 -0.001418 0.001569 -0.001543 0.002009 14H 1s 0.002287 -0.009804 -0.013690 0.015261 -0.016736 0.021466 14H 2s 0.003143 -0.011839 -0.018570 0.021210 -0.024505 0.031267 14H 3s 0.000076 -0.003250 -0.002240 0.002967 -0.005728 0.006829 14H 1pz 0.000193 -0.000235 -0.001926 0.002158 -0.002204 0.002910 14H 1px 0.000225 -0.000902 -0.000983 0.001088 -0.001262 0.001542 14H 1py 0.000127 -0.000945 0.000137 -0.000199 0.000151 -0.000217 15H 1s 0.001718 -0.009097 -0.004931 0.005169 -0.005446 0.007569 15H 2s 0.002034 -0.011018 -0.006701 0.007292 -0.008510 0.011717 15H 3s 0.001222 -0.000353 -0.000976 0.001514 -0.002777 0.004103 15H 1pz -0.000164 0.001368 0.000083 -0.000040 0.000132 -0.000143 15H 1px -0.000090 0.000072 0.001215 -0.001373 0.001367 -0.001845 15H 1py -0.000103 0.000243 0.001066 -0.001183 0.001226 -0.001719 16H 1s 0.101088 0.094139 0.003849 0.004672 0.000936 -0.013864 16H 2s 0.117522 0.109781 0.003298 0.003758 0.000915 -0.016812 16H 3s 0.028636 0.025054 0.001575 0.000178 0.003800 -0.000761 16H 1pz 0.007007 0.006530 0.000429 0.000264 0.000242 -0.001001 16H 1px -0.004696 -0.004183 0.000788 0.000120 -0.000224 -0.000021 16H 1py 0.008223 0.007737 0.000365 0.000570 -0.001095 -0.001103 17H 1s -0.101223 -0.094337 0.001302 -0.004933 0.007011 0.012027 17H 2s -0.118224 -0.110616 0.000350 -0.004670 0.008397 0.014755 17H 3s -0.028486 -0.025519 0.000785 -0.000329 0.003893 -0.000158 17H 1pz 0.001005 0.001034 -0.000681 0.000158 -0.000444 -0.000293 17H 1px 0.007657 0.006993 0.000533 0.000078 -0.000623 -0.000334 17H 1py -0.009077 -0.008506 0.000202 -0.000670 -0.000414 0.001493 18H 1s -0.099528 0.096142 -0.001346 0.004848 0.007312 0.011872 18H 2s -0.116233 0.112709 -0.000412 0.004659 0.008770 0.014526 18H 3s -0.028094 0.026023 -0.000795 0.000344 0.003871 -0.000253 18H 1pz -0.001239 0.001293 -0.000687 0.000163 0.000451 0.000306 18H 1px -0.007601 0.007188 0.000530 0.000088 0.000625 0.000324 18H 1py 0.008851 -0.008606 0.000192 -0.000673 0.000394 -0.001488 19H 1s 0.099374 -0.095996 -0.003814 -0.004612 0.000590 -0.013905 19H 2s 0.115695 -0.112114 -0.003281 -0.003637 0.000500 -0.016907 19H 3s 0.028237 -0.025703 -0.001583 -0.000166 0.003754 -0.000889 19H 1pz -0.006695 0.006477 0.000427 0.000251 -0.000245 0.001000 19H 1px 0.004722 -0.004372 0.000783 0.000123 0.000216 0.000006 19H 1py -0.008216 0.008008 0.000375 0.000554 0.001111 0.001107 20H 1s 0.002239 0.009093 0.005076 -0.005323 -0.005605 0.007754 20H 2s 0.002677 0.011023 0.006885 -0.007493 -0.008742 0.011987 20H 3s 0.001365 0.000377 0.000965 -0.001500 -0.002818 0.004154 20H 1pz 0.000240 0.001369 0.000100 -0.000059 -0.000149 0.000162 20H 1px 0.000090 0.000063 0.001201 -0.001356 -0.001353 0.001823 20H 1py 0.000117 0.000241 0.001086 -0.001204 -0.001250 0.001751 21H 1s 0.002802 0.009813 0.013583 -0.015125 -0.016622 0.021268 21H 2s 0.003761 0.011869 0.018410 -0.021007 -0.024348 0.030986 21H 3s 0.000292 0.003232 0.002220 -0.002943 -0.005742 0.006831 21H 1pz -0.000207 -0.000244 -0.001926 0.002155 0.002211 -0.002914 21H 1px -0.000270 -0.000901 -0.000953 0.001054 0.001231 -0.001496 21H 1py -0.000180 -0.000948 0.000131 -0.000192 -0.000147 0.000215 22H 1s 0.000676 0.008852 -0.017860 0.020607 0.020998 -0.028368 22H 2s 0.000221 0.010474 -0.024379 0.028606 0.029590 -0.039927 22H 3s 0.001484 0.004559 -0.003392 0.003320 0.005244 -0.006533 22H 1pz 0.000101 -0.000328 0.002070 -0.002354 -0.002277 0.003039 22H 1px 0.000149 0.001137 -0.000735 0.000904 0.000821 -0.001142 22H 1py -0.000193 -0.000304 -0.001436 0.001588 0.001564 -0.002034 23H 1s -0.001478 0.010850 0.012003 0.012110 0.017791 0.014254 23H 2s -0.001573 0.013192 0.016505 0.016934 0.026408 0.021254 23H 3s -0.000319 0.003504 0.001658 0.002164 0.006692 0.005692 23H 1pz -0.000311 0.001360 -0.000309 -0.000242 -0.000426 -0.000246 23H 1px 0.000119 -0.000533 0.000451 0.000409 0.000513 0.000400 23H 1py 0.000016 -0.000735 -0.002054 -0.002003 -0.002946 -0.002345 24H 1s -0.001886 0.011256 0.006694 0.006792 0.009531 0.008231 24H 2s -0.001965 0.013765 0.009168 0.009502 0.014778 0.012455 24H 3s -0.001206 0.003167 0.000668 0.001226 0.005196 0.003404 24H 1pz -0.000108 0.000052 -0.001496 -0.001440 -0.002181 -0.001679 24H 1px 0.000193 -0.000936 0.000597 0.000555 0.000769 0.000519 24H 1py -0.000205 0.001357 0.000708 0.000723 0.001020 0.000846 25H 1s -0.004075 0.012151 -0.020952 -0.019959 -0.029794 -0.022884 25H 2s -0.005628 0.014499 -0.028857 -0.028010 -0.042439 -0.032529 25H 3s -0.000184 0.006669 -0.004272 -0.003439 -0.005079 -0.005383 25H 1pz 0.000235 -0.000037 0.002142 0.002049 0.002782 0.002215 25H 1px -0.000535 0.001501 -0.001778 -0.001684 -0.002453 -0.001790 25H 1py 0.000058 0.000278 0.001242 0.001200 0.001659 0.001252 26O 1s 0.000175 0.005966 0.009139 0.009190 -0.012823 -0.009722 26O 2s 0.000428 0.014303 0.021751 0.021933 -0.030597 -0.023202 26O 3s -0.000614 -0.021816 -0.031166 -0.032141 0.044780 0.033991 26O 4s -0.001918 -0.030127 -0.053455 -0.051832 0.071572 0.054023 26O 5s -0.005437 -0.041822 -0.026294 -0.034690 0.073897 0.059079 26O 1pz 0.000988 -0.008083 -0.061795 -0.058996 0.061785 0.041271 26O 1px 0.008505 -0.022422 -0.091452 -0.082216 0.110814 0.077991 26O 1py 0.005229 -0.015156 -0.072258 -0.066591 0.069108 0.065646 26O 2pz 0.000930 -0.007710 -0.052756 -0.049259 0.052701 0.034954 26O 2px 0.007674 -0.016172 -0.075586 -0.066630 0.086720 0.060506 26O 2py 0.004801 -0.011841 -0.060569 -0.054870 0.055779 0.053728 26O 3pz 0.000612 -0.007095 -0.015808 -0.018471 0.037667 0.025065 26O 3px 0.006325 -0.003637 -0.035782 -0.032282 0.047587 0.030625 26O 3py 0.002304 -0.008877 -0.023745 -0.022918 0.034873 0.034645 26O 1dz2 0.000022 -0.000360 -0.001509 -0.001396 0.001434 0.000965 26O 1dxz 0.000022 0.000225 0.001102 0.001051 -0.001229 -0.000951 26O 1dyz -0.000028 0.000195 0.000344 0.000186 -0.000873 -0.000607 26O 1dx2y2 -0.000114 0.000364 0.001391 0.001197 -0.001497 -0.001089 26O 1dxy -0.000071 0.000589 0.002051 0.001784 -0.002243 -0.001846 26O 2dz2 0.000254 -0.001074 -0.004254 -0.004103 0.004995 0.003154 26O 2dxz -0.000358 0.000089 0.000780 0.000920 -0.000568 -0.000712 26O 2dyz -0.000122 -0.001213 -0.001430 -0.001862 0.002473 0.002301 26O 2dx2y2 -0.000188 0.000989 0.004085 0.003426 -0.003785 -0.003014 26O 2dxy -0.000363 0.000661 0.003841 0.003215 -0.003046 -0.002614 26O 1f0 -0.000058 0.000107 0.000545 0.000474 -0.000595 -0.000462 26O 1f+1 -0.000088 0.000012 0.000322 0.000240 -0.000303 -0.000273 26O 1f-1 -0.000071 -0.000052 0.000033 -0.000234 0.000052 -0.000014 26O 1f+2 0.000068 -0.000007 -0.000333 -0.000185 0.000386 0.000204 26O 1f-2 0.000038 -0.000195 -0.000807 -0.000835 0.000912 0.000699 26O 1f+3 0.000003 -0.000047 -0.000154 -0.000191 0.000121 0.000234 26O 1f-3 -0.000131 0.000159 0.000994 0.000895 -0.001072 -0.000799 27O 1s -0.001526 0.005475 0.008761 -0.010026 0.009698 -0.012844 27O 2s -0.003611 0.013136 0.020821 -0.023892 0.023105 -0.030613 27O 3s 0.004857 -0.020257 -0.029417 0.034569 -0.033338 0.044365 27O 4s 0.009786 -0.026709 -0.052027 0.057294 -0.055119 0.072615 27O 5s 0.008847 -0.030469 -0.029425 0.041060 -0.059890 0.074159 27O 1pz 0.000729 -0.002064 -0.026618 0.029069 -0.025088 0.019534 27O 1px 0.015397 -0.028952 -0.100957 0.105838 -0.095095 0.121663 27O 1py -0.007856 0.014654 0.066324 -0.072428 0.050576 -0.074804 27O 2pz 0.000848 -0.002414 -0.022942 0.024596 -0.022182 0.017346 27O 2px 0.012150 -0.022419 -0.083141 0.085777 -0.074667 0.095530 27O 2py -0.007053 0.012139 0.056340 -0.060344 0.042204 -0.063000 27O 3pz -0.000005 -0.001792 -0.006197 0.007895 -0.017735 0.013510 27O 3px 0.001734 -0.013034 -0.035953 0.038659 -0.037838 0.051586 27O 3py 0.000135 0.011034 0.018239 -0.022813 0.026921 -0.041897 27O 1dz2 0.000195 -0.000465 -0.001547 0.001536 -0.001499 0.001809 27O 1dxz -0.000001 0.000011 0.000278 -0.000313 0.000328 -0.000394 27O 1dyz 0.000031 -0.000003 0.000160 -0.000324 -0.000172 0.000271 27O 1dx2y2 -0.000308 0.000593 0.002156 -0.002227 0.001704 -0.002261 27O 1dxy 0.000161 -0.000473 -0.001620 0.001656 -0.001573 0.002104 27O 2dz2 0.000087 -0.000420 -0.002354 0.002168 -0.001808 0.001675 27O 2dxz -0.000059 -0.000373 -0.000891 0.000890 -0.000814 0.000976 27O 2dyz -0.000372 0.000853 0.001804 -0.002532 0.002595 -0.002996 27O 2dx2y2 -0.000403 0.001985 0.005116 -0.005417 0.003843 -0.005831 27O 2dxy 0.000076 -0.000299 -0.001195 0.001182 -0.000671 0.000949 27O 1f0 -0.000042 0.000082 0.000271 -0.000443 0.000317 -0.000333 27O 1f+1 -0.000096 0.000192 0.000662 -0.000703 0.000554 -0.000801 27O 1f-1 0.000034 -0.000077 -0.000217 0.000186 -0.000169 0.000281 27O 1f+2 0.000003 0.000028 -0.000056 -0.000135 -0.000067 0.000007 27O 1f-2 -0.000007 0.000075 0.000165 -0.000310 0.000204 -0.000181 27O 1f+3 -0.000012 0.000024 0.000192 -0.000064 0.000161 -0.000115 27O 1f-3 0.000155 -0.000252 -0.001009 0.001023 -0.000902 0.001194 28O 1s 0.002243 0.006651 -0.009889 -0.009630 0.013044 0.010148 28O 2s 0.005327 0.015964 -0.023552 -0.022990 0.031127 0.024220 28O 3s -0.007450 -0.024641 0.033943 0.033818 -0.045607 -0.035520 28O 4s -0.013504 -0.032374 0.056678 0.053409 -0.072105 -0.056266 28O 5s -0.012314 -0.039943 0.034125 0.039001 -0.073121 -0.055806 28O 1pz -0.017530 -0.030182 0.111510 0.101591 -0.119193 -0.084718 28O 1px 0.014272 0.023595 -0.061019 -0.053638 0.072291 0.059906 28O 1py -0.006752 -0.011190 0.044469 0.041833 -0.038688 -0.038466 28O 2pz -0.014546 -0.024211 0.093591 0.083909 -0.097800 -0.069053 28O 2px 0.010875 0.017309 -0.049452 -0.042774 0.055053 0.046031 28O 2py -0.006160 -0.009255 0.038154 0.035091 -0.032978 -0.033120 28O 3pz -0.002449 -0.014830 0.033729 0.033077 -0.056502 -0.039361 28O 3px 0.002529 0.008258 -0.024935 -0.022359 0.025458 0.023279 28O 3py -0.000028 -0.009093 0.010205 0.011957 -0.020178 -0.021780 28O 1dz2 0.000090 0.000207 -0.000716 -0.000592 0.000947 0.000762 28O 1dxz -0.000443 -0.000913 0.002839 0.002503 -0.002929 -0.002186 28O 1dyz 0.000094 0.000265 -0.000514 -0.000335 0.001023 0.000763 28O 1dx2y2 0.000269 0.000409 -0.001208 -0.001010 0.001168 0.000998 28O 1dxy -0.000078 -0.000270 0.000886 0.000878 -0.000788 -0.000643 28O 2dz2 0.000019 -0.000209 0.000280 0.000330 -0.000809 -0.000189 28O 2dxz -0.000738 -0.001933 0.005869 0.005249 -0.005940 -0.004245 28O 2dyz -0.000383 -0.001046 0.001334 0.001737 -0.002252 -0.002014 28O 2dx2y2 0.000244 0.001426 -0.003437 -0.002958 0.002950 0.002847 28O 2dxy -0.000306 -0.000639 0.001218 0.001410 -0.001768 -0.001295 28O 1f0 -0.000013 -0.000029 0.000087 0.000103 -0.000172 -0.000011 28O 1f+1 0.000178 0.000276 -0.000975 -0.000844 0.001090 0.000772 28O 1f-1 -0.000096 -0.000216 0.000538 0.000733 -0.000609 -0.000482 28O 1f+2 -0.000083 -0.000116 0.000514 0.000338 -0.000517 -0.000372 28O 1f-2 0.000099 0.000147 -0.000501 -0.000364 0.000530 0.000455 28O 1f+3 -0.000001 -0.000031 0.000075 0.000108 -0.000071 -0.000030 28O 1f-3 0.000086 0.000088 -0.000371 -0.000333 0.000414 0.000324 29O 1s 0.000011 -0.000011 -0.000676 -0.000010 0.001958 -0.000390 29O 2s 0.000044 -0.000013 -0.001663 -0.000024 0.004710 -0.000939 29O 3s -0.000218 -0.000076 0.002963 0.000046 -0.007394 0.001478 29O 4s 0.000188 0.000072 0.004394 -0.000183 -0.010039 0.001962 29O 5s 0.000508 0.001109 -0.002589 0.000946 -0.010071 0.002408 29O 1pz -0.254691 -0.237356 -0.008095 -0.013111 0.004198 0.033979 29O 1px -0.093996 -0.087644 0.011096 -0.005268 0.007820 0.010625 29O 1py 0.023427 0.021947 -0.002334 0.001491 -0.020058 0.001310 29O 2pz -0.209059 -0.194645 -0.007160 -0.010869 0.003119 0.027650 29O 2px -0.077245 -0.071978 0.010705 -0.004426 0.007125 0.008564 29O 2py 0.019199 0.018011 -0.002003 0.001253 -0.016497 0.000999 29O 3pz -0.091852 -0.085530 -0.004297 -0.006847 0.001333 0.012191 29O 3px -0.033620 -0.031345 0.007639 -0.002854 0.001561 0.003487 29O 3py 0.008420 0.007682 -0.000122 0.000463 -0.013149 0.002056 29O 1dz2 0.003483 0.003263 0.000055 0.000154 -0.000133 -0.000503 29O 1dxz -0.003227 -0.003032 -0.000087 -0.000162 0.000157 0.000486 29O 1dyz 0.005958 0.005553 0.000123 0.000218 -0.000120 -0.000771 29O 1dx2y2 -0.000949 -0.000894 0.000075 -0.000066 -0.000109 0.000189 29O 1dxy 0.002634 0.002458 -0.000122 0.000103 -0.000194 -0.000309 29O 2dz2 0.007873 0.007495 0.000401 0.000364 -0.000786 -0.001370 29O 2dxz -0.006564 -0.006335 0.000156 -0.000435 0.000447 0.001527 29O 2dyz 0.015031 0.013999 0.000467 0.000593 -0.000341 -0.001921 29O 2dx2y2 -0.001651 -0.001615 -0.000376 -0.000126 -0.000850 0.000699 29O 2dxy 0.006331 0.005926 -0.000769 0.000290 0.000036 -0.000934 29O 1f0 -0.001371 -0.001283 -0.000137 -0.000096 -0.000001 0.000216 29O 1f+1 -0.001435 -0.001367 0.000049 -0.000087 0.000064 0.000272 29O 1f-1 -0.001205 -0.001120 -0.000077 -0.000089 -0.000058 0.000176 29O 1f+2 0.000131 0.000139 0.000072 0.000016 -0.000009 -0.000077 29O 1f-2 0.002327 0.002169 0.000014 0.000169 -0.000109 -0.000314 29O 1f+3 -0.000637 -0.000603 0.000047 -0.000054 0.000094 0.000100 29O 1f-3 -0.001101 -0.001023 0.000081 -0.000090 0.000130 0.000117 30O 1s 0.000115 0.004909 -0.008658 0.010139 -0.009989 0.013088 30O 2s 0.000267 0.011767 -0.020595 0.024184 -0.023832 0.031224 30O 3s -0.000421 -0.017931 0.029371 -0.035314 0.034861 -0.045636 30O 4s 0.000122 -0.024484 0.050395 -0.056641 0.055266 -0.072304 30O 5s 0.004215 -0.035036 0.026327 -0.039098 0.052505 -0.075657 30O 1pz -0.003656 -0.011541 0.071082 -0.076640 0.071343 -0.077702 30O 1px 0.006044 0.012319 -0.041717 0.041882 -0.045790 0.060975 30O 1py 0.006323 0.016356 -0.090747 0.098243 -0.072218 0.105414 30O 2pz -0.003341 -0.009192 0.059614 -0.063221 0.058386 -0.062646 30O 2px 0.005423 0.008072 -0.033451 0.033053 -0.034207 0.045628 30O 2py 0.005870 0.013010 -0.076783 0.081767 -0.059425 0.087028 30O 3pz -0.002645 -0.003856 0.023011 -0.026739 0.036423 -0.036133 30O 3px 0.004237 0.000372 -0.020233 0.019653 -0.017351 0.020473 30O 3py 0.002399 0.009960 -0.027250 0.031987 -0.035367 0.053404 30O 1dz2 -0.000036 -0.000151 0.000260 -0.000177 0.000327 -0.000412 30O 1dxz -0.000071 -0.000341 0.001595 -0.001656 0.001434 -0.001706 30O 1dyz -0.000088 -0.000404 0.001448 -0.001393 0.001552 -0.002111 30O 1dx2y2 0.000066 -0.000013 0.000018 -0.000055 0.000146 -0.000159 30O 1dxy 0.000069 0.000432 -0.001983 0.002137 -0.001522 0.002098 30O 2dz2 0.000080 0.000240 0.000316 0.000020 0.000208 0.000374 30O 2dxz -0.000348 -0.000664 0.004014 -0.004284 0.003754 -0.004157 30O 2dyz -0.000308 0.000328 0.000991 -0.000436 -0.000230 0.000058 30O 2dx2y2 -0.000093 0.000783 -0.001940 0.001929 -0.001593 0.002505 30O 2dxy 0.000366 0.001194 -0.004543 0.005104 -0.003925 0.005400 30O 1f0 0.000045 0.000112 -0.000535 0.000728 -0.000471 0.000683 30O 1f+1 0.000017 0.000034 -0.000239 0.000280 -0.000271 0.000263 30O 1f-1 0.000008 0.000070 -0.000404 0.000488 -0.000473 0.000435 30O 1f+2 -0.000002 0.000142 -0.000471 0.000700 -0.000447 0.000621 30O 1f-2 -0.000122 -0.000119 0.000885 -0.000794 0.000783 -0.000985 30O 1f+3 0.000089 0.000055 -0.000541 0.000448 -0.000429 0.000638 30O 1f-3 -0.000071 0.000012 0.000250 -0.000203 0.000217 -0.000246 31O 1s -0.000174 -0.004899 0.008651 -0.010124 -0.010001 0.013092 31O 2s -0.000426 -0.011743 0.020577 -0.024149 -0.023861 0.031234 31O 3s 0.000624 0.017891 -0.029352 0.035270 0.034910 -0.045655 31O 4s 0.001624 0.024450 -0.050320 0.056533 0.055301 -0.072288 31O 5s 0.006197 0.035074 -0.026216 0.039007 0.052544 -0.075794 31O 1pz 0.002851 -0.011380 0.071037 -0.076495 -0.071400 0.077722 31O 1px -0.005249 0.012274 -0.041707 0.041828 0.045811 -0.060921 31O 1py -0.005349 0.016333 -0.090700 0.098135 0.072323 -0.105523 31O 2pz 0.002719 -0.009061 0.059592 -0.063113 -0.058443 0.062676 31O 2px -0.004887 0.008035 -0.033457 0.033021 0.034232 -0.045586 31O 2py -0.005091 0.012992 -0.076755 0.081688 0.059525 -0.087128 31O 3pz 0.002348 -0.003702 0.023009 -0.026633 -0.036439 0.036069 31O 3px -0.004207 0.000298 -0.020290 0.019657 0.017388 -0.020408 31O 3py -0.001988 0.009855 -0.027281 0.031936 0.035434 -0.053442 31O 1dz2 -0.000029 0.000150 -0.000260 0.000176 0.000327 -0.000411 31O 1dxz -0.000049 0.000340 -0.001595 0.001653 0.001435 -0.001707 31O 1dyz -0.000064 0.000404 -0.001446 0.001390 0.001552 -0.002113 31O 1dx2y2 0.000063 0.000012 -0.000017 0.000054 0.000146 -0.000161 31O 1dxy 0.000043 -0.000432 0.001982 -0.002134 -0.001524 0.002099 31O 2dz2 0.000077 -0.000242 -0.000314 -0.000026 0.000201 0.000383 31O 2dxz -0.000297 0.000656 -0.004018 0.004282 0.003761 -0.004159 31O 2dyz -0.000334 -0.000332 -0.000994 0.000439 -0.000229 0.000057 31O 2dx2y2 -0.000130 -0.000782 0.001943 -0.001931 -0.001596 0.002500 31O 2dxy 0.000309 -0.001181 0.004544 -0.005098 -0.003932 0.005403 31O 1f0 -0.000038 0.000111 -0.000535 0.000728 0.000472 -0.000684 31O 1f+1 -0.000016 0.000032 -0.000238 0.000279 0.000271 -0.000262 31O 1f-1 -0.000003 0.000068 -0.000404 0.000487 0.000474 -0.000435 31O 1f+2 0.000010 0.000142 -0.000471 0.000700 0.000449 -0.000623 31O 1f-2 0.000114 -0.000118 0.000885 -0.000793 -0.000783 0.000985 31O 1f+3 -0.000085 0.000055 -0.000541 0.000447 0.000429 -0.000639 31O 1f-3 0.000070 0.000012 0.000250 -0.000202 -0.000217 0.000246 32O 1s 0.000002 -0.000003 0.000673 0.000005 0.001947 -0.000433 32O 2s 0.000026 -0.000023 0.001655 0.000012 0.004683 -0.001045 32O 3s -0.000218 0.000161 -0.002952 -0.000027 -0.007345 0.001639 32O 4s 0.000348 -0.000103 -0.004375 0.000221 -0.010002 0.002200 32O 5s 0.000285 -0.000818 0.002634 -0.001050 -0.010002 0.002699 32O 1pz 0.251252 -0.242819 -0.007892 -0.012987 -0.005519 -0.033936 32O 1px 0.091432 -0.088363 0.011184 -0.005124 -0.008231 -0.010227 32O 1py -0.016763 0.016108 -0.002471 0.001059 0.019828 -0.002639 32O 2pz 0.206247 -0.199142 -0.006989 -0.010768 -0.004211 -0.027622 32O 2px 0.075125 -0.072544 0.010777 -0.004300 -0.007455 -0.008226 32O 2py -0.013759 0.013255 -0.002111 0.000894 0.016311 -0.002070 32O 3pz 0.090444 -0.087321 -0.004201 -0.006789 -0.001917 -0.012121 32O 3px 0.032650 -0.031602 0.007669 -0.002763 -0.001751 -0.003370 32O 3py -0.006033 0.005522 -0.000169 0.000161 0.013028 -0.002649 32O 1dz2 0.003173 -0.003083 -0.000048 -0.000139 -0.000138 -0.000467 32O 1dxz -0.003295 0.003209 0.000083 0.000165 0.000174 0.000499 32O 1dyz 0.005955 -0.005756 -0.000124 -0.000219 -0.000147 -0.000782 32O 1dx2y2 -0.001082 0.001057 -0.000074 0.000072 -0.000100 0.000211 32O 1dxy 0.002467 -0.002386 0.000124 -0.000095 -0.000199 -0.000285 32O 2dz2 0.007084 -0.006998 -0.000377 -0.000319 -0.000802 -0.001256 32O 2dxz -0.006771 0.006767 -0.000167 0.000443 0.000490 0.001573 32O 2dyz 0.014980 -0.014468 -0.000464 -0.000594 -0.000435 -0.001940 32O 2dx2y2 -0.002026 0.002046 0.000375 0.000157 -0.000823 0.000770 32O 2dxy 0.005984 -0.005815 0.000774 -0.000267 0.000013 -0.000886 32O 1f0 0.001304 -0.001267 -0.000132 -0.000094 -0.000008 -0.000209 32O 1f+1 0.001465 -0.001446 0.000052 -0.000087 -0.000075 -0.000278 32O 1f-1 0.001243 -0.001198 -0.000080 -0.000093 0.000054 -0.000183 32O 1f+2 -0.000131 0.000144 0.000076 0.000017 0.000007 0.000079 32O 1f-2 -0.002263 0.002187 0.000015 0.000164 0.000116 0.000308 32O 1f+3 0.000535 -0.000527 0.000046 -0.000048 -0.000092 -0.000086 32O 1f-3 0.001078 -0.001039 0.000081 -0.000090 -0.000133 -0.000116 33O 1s 0.002253 -0.006720 0.009868 0.009602 0.013089 0.010178 33O 2s 0.005351 -0.016126 0.023502 0.022923 0.031234 0.024290 33O 3s -0.007474 0.024878 -0.033872 -0.033722 -0.045760 -0.035622 33O 4s -0.013586 0.032747 -0.056558 -0.053256 -0.072375 -0.056438 33O 5s -0.012685 0.040092 -0.034053 -0.038894 -0.073316 -0.055903 33O 1pz 0.017480 -0.030728 0.111128 0.101155 0.119442 0.084854 33O 1px -0.014214 0.024104 -0.060920 -0.053511 -0.072697 -0.060150 33O 1py 0.006639 -0.011447 0.044483 0.041856 0.038986 0.038628 33O 2pz 0.014486 -0.024685 0.093277 0.083544 0.098012 0.069173 33O 2px -0.010802 0.017718 -0.049379 -0.042676 -0.055381 -0.046231 33O 2py 0.006084 -0.009478 0.038171 0.035112 0.033233 0.033261 33O 3pz 0.002328 -0.014995 0.033497 0.032785 0.056436 0.039308 33O 3px -0.002324 0.008470 -0.024879 -0.022264 -0.025594 -0.023358 33O 3py -0.000087 -0.009136 0.010168 0.011919 0.020220 0.021785 33O 1dz2 0.000089 -0.000207 0.000709 0.000584 0.000941 0.000757 33O 1dxz -0.000444 0.000924 -0.002832 -0.002495 -0.002939 -0.002192 33O 1dyz 0.000095 -0.000269 0.000515 0.000335 0.001027 0.000766 33O 1dx2y2 0.000269 -0.000418 0.001206 0.001008 0.001176 0.001002 33O 1dxy -0.000077 0.000273 -0.000889 -0.000880 -0.000796 -0.000648 33O 2dz2 0.000008 0.000209 -0.000292 -0.000338 -0.000830 -0.000202 33O 2dxz -0.000717 0.001973 -0.005849 -0.005224 -0.005951 -0.004253 33O 2dyz -0.000388 0.001049 -0.001325 -0.001725 -0.002253 -0.002014 33O 2dx2y2 0.000227 -0.001441 0.003434 0.002952 0.002970 0.002860 33O 2dxy -0.000301 0.000659 -0.001225 -0.001415 -0.001779 -0.001303 33O 1f0 0.000014 -0.000028 0.000084 0.000100 0.000169 0.000009 33O 1f+1 -0.000175 0.000282 -0.000969 -0.000838 -0.001090 -0.000771 33O 1f-1 0.000096 -0.000219 0.000538 0.000732 0.000612 0.000483 33O 1f+2 0.000081 -0.000120 0.000513 0.000336 0.000520 0.000374 33O 1f-2 -0.000098 0.000152 -0.000502 -0.000366 -0.000534 -0.000458 33O 1f+3 0.000001 -0.000031 0.000075 0.000107 0.000072 0.000031 33O 1f-3 -0.000086 0.000092 -0.000372 -0.000334 -0.000417 -0.000326 34O 1s -0.001831 -0.005482 -0.008760 0.010011 0.009706 -0.012851 34O 2s -0.004342 -0.013152 -0.020816 0.023857 0.023124 -0.030628 34O 3s 0.005962 0.020288 0.029406 -0.034513 -0.033357 0.044374 34O 4s 0.011362 0.026713 0.052036 -0.057232 -0.055205 0.072705 34O 5s 0.010727 0.030537 0.029466 -0.040962 -0.059949 0.074266 34O 1pz -0.000905 -0.002061 -0.026609 0.028986 0.025083 -0.019452 34O 1px -0.016996 -0.029071 -0.100931 0.105671 0.095191 -0.121782 34O 1py 0.008525 0.014707 0.066322 -0.072410 -0.050669 0.074812 34O 2pz -0.001013 -0.002420 -0.022938 0.024526 0.022178 -0.017286 34O 2px -0.013355 -0.022509 -0.083110 0.085639 0.074732 -0.095603 34O 2py 0.007621 0.012165 0.056329 -0.060322 -0.042275 0.062995 34O 3pz -0.000214 -0.001795 -0.006181 0.007829 0.017719 -0.013437 34O 3px -0.002216 -0.013161 -0.035923 0.038563 0.037832 -0.051548 34O 3py 0.000257 0.011186 0.018261 -0.022805 -0.026944 0.041883 34O 1dz2 0.000221 0.000466 0.001547 -0.001534 -0.001500 0.001810 34O 1dxz -0.000002 -0.000010 -0.000277 0.000312 0.000327 -0.000392 34O 1dyz 0.000032 0.000003 -0.000161 0.000324 -0.000171 0.000271 34O 1dx2y2 -0.000342 -0.000594 -0.002155 0.002224 0.001706 -0.002264 34O 1dxy 0.000185 0.000475 0.001620 -0.001655 -0.001575 0.002104 34O 2dz2 0.000111 0.000425 0.002352 -0.002163 -0.001808 0.001671 34O 2dxz -0.000038 0.000378 0.000891 -0.000888 -0.000815 0.000983 34O 2dyz -0.000423 -0.000857 -0.001804 0.002528 0.002597 -0.002994 34O 2dx2y2 -0.000488 -0.001991 -0.005112 0.005412 0.003845 -0.005827 34O 2dxy 0.000075 0.000307 0.001192 -0.001181 -0.000666 0.000936 34O 1f0 0.000047 0.000081 0.000270 -0.000442 -0.000317 0.000331 34O 1f+1 0.000105 0.000193 0.000662 -0.000701 -0.000554 0.000801 34O 1f-1 -0.000037 -0.000077 -0.000217 0.000186 0.000168 -0.000281 34O 1f+2 -0.000001 0.000028 -0.000056 -0.000136 0.000066 -0.000006 34O 1f-2 0.000012 0.000075 0.000165 -0.000309 -0.000204 0.000180 34O 1f+3 0.000014 0.000025 0.000192 -0.000063 -0.000160 0.000116 34O 1f-3 -0.000167 -0.000255 -0.001009 0.001022 0.000903 -0.001193 35O 1s 0.000213 -0.005957 -0.009090 -0.009140 -0.012851 -0.009738 35O 2s 0.000519 -0.014284 -0.021633 -0.021811 -0.030664 -0.023239 35O 3s -0.000748 0.021783 0.030994 0.031960 0.044875 0.034045 35O 4s -0.002128 0.030129 0.053172 0.051560 0.071732 0.054111 35O 5s -0.005571 0.041786 0.025945 0.034360 0.074022 0.059087 35O 1pz -0.000828 -0.007944 -0.061566 -0.058745 -0.062077 -0.041400 35O 1px -0.008201 -0.022025 -0.091038 -0.081779 -0.110970 -0.078066 35O 1py -0.005099 -0.015032 -0.072140 -0.066469 -0.069557 -0.065936 35O 2pz -0.000805 -0.007596 -0.052561 -0.049044 -0.052947 -0.035065 35O 2px -0.007437 -0.015837 -0.075277 -0.066290 -0.086859 -0.060582 35O 2py -0.004696 -0.011732 -0.060491 -0.054781 -0.056160 -0.053978 35O 3pz -0.000506 -0.007000 -0.015706 -0.018313 -0.037752 -0.025086 35O 3px -0.006147 -0.003426 -0.035672 -0.032089 -0.047579 -0.030634 35O 3py -0.002255 -0.008837 -0.023711 -0.022845 -0.035048 -0.034761 35O 1dz2 0.000019 0.000358 0.001506 0.001392 0.001441 0.000969 35O 1dxz 0.000026 -0.000225 -0.001096 -0.001045 -0.001234 -0.000953 35O 1dyz -0.000028 -0.000193 -0.000341 -0.000182 -0.000874 -0.000608 35O 1dx2y2 -0.000108 -0.000359 -0.001383 -0.001189 -0.001497 -0.001088 35O 1dxy -0.000066 -0.000586 -0.002046 -0.001779 -0.002254 -0.001852 35O 2dz2 0.000233 0.001058 0.004244 0.004086 0.005010 0.003164 35O 2dxz -0.000357 -0.000077 -0.000772 -0.000911 -0.000574 -0.000714 35O 2dyz -0.000120 0.001213 0.001429 0.001862 0.002487 0.002309 35O 2dx2y2 -0.000178 -0.000981 -0.004069 -0.003406 -0.003785 -0.003015 35O 2dxy -0.000363 -0.000647 -0.003843 -0.003211 -0.003069 -0.002631 35O 1f0 0.000057 0.000104 0.000542 0.000471 0.000596 0.000463 35O 1f+1 0.000088 0.000010 0.000322 0.000240 0.000304 0.000274 35O 1f-1 0.000071 -0.000053 0.000033 -0.000234 -0.000053 0.000015 35O 1f+2 -0.000067 -0.000004 -0.000329 -0.000181 -0.000385 -0.000203 35O 1f-2 -0.000036 -0.000192 -0.000804 -0.000832 -0.000916 -0.000701 35O 1f+3 -0.000002 -0.000049 -0.000157 -0.000194 -0.000127 -0.000239 35O 1f-3 0.000128 0.000155 0.000992 0.000892 0.001076 0.000802 78 79 80 81 82 83 -0.45951 -0.45471 -0.45360 -0.45278 -0.44487 -0.44296 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s -0.000023 -0.000066 -0.000020 -0.001257 0.000048 0.000025 0Rh 2s 0.000092 0.000246 0.000065 0.004642 -0.000167 -0.000096 0Rh 3s -0.000078 -0.000226 -0.000075 -0.004389 0.000172 0.000085 0Rh 4s -0.000383 -0.001037 -0.000267 -0.019552 0.000697 0.000405 0Rh 5s 0.000325 0.000733 0.000103 0.014133 -0.000408 -0.000311 0Rh 6s 0.000402 0.001864 0.000826 0.032487 -0.001456 -0.000629 0Rh 7s 0.001065 -0.000906 -0.001890 -0.013911 0.000618 0.000870 0Rh 8s -0.000640 -0.014687 -0.008547 0.009671 -0.000125 0.003026 0Rh 1pz 0.000087 -0.002450 0.002671 0.002253 -0.000185 0.000632 0Rh 1px -0.000148 -0.000195 0.001622 -0.006328 0.000242 0.000386 0Rh 1py 0.000156 -0.002968 -0.002284 -0.001512 0.000195 -0.001592 0Rh 2pz -0.000294 0.008258 -0.008999 -0.007621 0.000625 -0.002130 0Rh 2px 0.000503 0.000661 -0.005469 0.021411 -0.000821 -0.001302 0Rh 2py -0.000525 0.010006 0.007695 0.005108 -0.000658 0.005366 0Rh 3pz 0.000253 -0.006273 0.006789 0.006303 -0.000478 0.001633 0Rh 3px -0.000433 -0.000546 0.004190 -0.017826 0.000712 0.001018 0Rh 3py 0.000419 -0.007630 -0.005785 -0.004110 0.000511 -0.004071 0Rh 4pz 0.000293 -0.011302 0.012478 0.008652 -0.000867 0.002873 0Rh 4px -0.000518 -0.000754 0.007371 -0.023850 0.000799 0.001658 0Rh 4py 0.000680 -0.013651 -0.010759 -0.006263 0.000881 -0.007328 0Rh 5pz 0.000218 0.000131 -0.000334 0.002506 0.000146 0.000003 0Rh 5px -0.000270 -0.000213 0.000133 -0.007801 0.000605 0.000354 0Rh 5py -0.000112 0.000100 0.000297 -0.000530 -0.000050 -0.000294 0Rh 6pz -0.001080 0.012826 -0.013547 -0.021211 -0.000880 -0.002765 0Rh 6px 0.001656 0.001601 -0.010836 0.052746 -0.003608 -0.006277 0Rh 6py 0.002151 0.015864 0.014723 0.001499 -0.000825 0.016534 0Rh 1dz2 -0.021048 -0.009460 0.009530 -0.000324 0.001863 -0.000887 0Rh 1dxz -0.009550 0.016163 -0.014888 -0.001697 -0.000322 0.001267 0Rh 1dyz 0.010296 -0.003175 -0.008144 -0.000362 0.005944 0.001184 0Rh 1dx2y2 -0.015616 -0.001410 -0.010592 0.002225 0.000385 0.001187 0Rh 1dxy -0.001929 0.019894 0.012446 0.001077 0.002328 -0.002465 0Rh 2dz2 0.000421 0.000208 -0.000193 -0.000033 -0.000032 0.000019 0Rh 2dxz 0.000192 -0.000361 0.000324 0.000005 0.000013 -0.000041 0Rh 2dyz -0.000199 0.000049 0.000177 -0.000007 -0.000103 -0.000039 0Rh 2dx2y2 0.000311 0.000024 0.000215 -0.000004 -0.000009 -0.000043 0Rh 2dxy 0.000036 -0.000431 -0.000247 -0.000009 -0.000048 0.000090 0Rh 3dz2 0.030371 0.013589 -0.013678 0.000612 -0.002702 0.001270 0Rh 3dxz 0.013804 -0.023229 0.021361 0.002560 0.000443 -0.001768 0Rh 3dyz -0.014897 0.004608 0.011618 0.000584 -0.008633 -0.001647 0Rh 3dx2y2 0.022559 0.001994 0.015154 -0.003368 -0.000551 -0.001632 0Rh 3dxy 0.002800 -0.028495 -0.017803 -0.001599 -0.003350 0.003390 0Rh 4dz2 0.040027 0.018160 -0.018199 0.000327 -0.003408 0.001699 0Rh 4dxz 0.018053 -0.031046 0.028446 0.003052 0.000649 -0.002532 0Rh 4dyz -0.019506 0.005808 0.015590 0.000555 -0.010944 -0.002352 0Rh 4dx2y2 0.029714 0.002650 0.020167 -0.004030 -0.000709 -0.002407 0Rh 4dxy 0.003676 -0.038041 -0.023525 -0.002030 -0.004366 0.004999 0Rh 5dz2 0.034821 0.015157 -0.015580 -0.000310 -0.004225 0.001489 0Rh 5dxz 0.016091 -0.025523 0.024340 0.001085 0.000708 -0.002007 0Rh 5dyz -0.017216 0.006139 0.013488 0.000526 -0.012754 -0.002300 0Rh 5dx2y2 0.025726 0.002548 0.017739 -0.000837 -0.001156 -0.001998 0Rh 5dxy 0.003029 -0.032345 -0.021390 -0.000248 -0.004941 0.004181 0Rh 1f0 0.000483 -0.000256 0.000147 -0.001065 -0.001054 -0.002206 0Rh 1f+1 -0.000559 -0.000384 0.000591 0.000979 0.001401 -0.000851 0Rh 1f-1 -0.000398 -0.000289 -0.000030 0.000163 -0.001651 -0.001090 0Rh 1f+2 -0.000236 0.000608 -0.000451 0.001458 -0.001078 -0.001659 0Rh 1f-2 0.000236 -0.000058 -0.000545 0.000731 0.003205 -0.000793 0Rh 1f+3 0.000744 0.000242 0.000525 0.001624 -0.000387 0.000103 0Rh 1f-3 0.000232 -0.000579 -0.000377 0.001000 -0.001973 0.000992 1Rh 1s -0.000023 0.000036 0.000089 -0.001254 0.000047 -0.000021 1Rh 2s 0.000091 -0.000137 -0.000322 0.004635 -0.000165 0.000078 1Rh 3s -0.000078 0.000122 0.000317 -0.004381 0.000170 -0.000070 1Rh 4s -0.000380 0.000576 0.001350 -0.019521 0.000688 -0.000330 1Rh 5s 0.000322 -0.000402 -0.000887 0.014115 -0.000403 0.000245 1Rh 6s 0.000400 -0.001088 -0.002617 0.032419 -0.001433 0.000544 1Rh 7s 0.001063 0.000556 0.002618 -0.013817 0.000569 -0.000837 1Rh 8s -0.000697 0.014781 0.008231 0.009758 -0.000331 -0.003092 1Rh 1pz -0.000043 -0.002489 0.002788 -0.002055 0.000196 0.000628 1Rh 1px 0.000161 -0.000051 0.001289 0.006408 -0.000242 0.000391 1Rh 1py -0.000147 -0.002929 -0.002364 0.001458 -0.000159 -0.001591 1Rh 2pz 0.000147 0.008390 -0.009395 0.006952 -0.000662 -0.002118 1Rh 2px -0.000545 0.000172 -0.004342 -0.021682 0.000822 -0.001318 1Rh 2py 0.000495 0.009874 0.007967 -0.004926 0.000538 0.005361 1Rh 3pz -0.000140 -0.006382 0.007119 -0.005795 0.000505 0.001624 1Rh 3px 0.000465 -0.000139 0.003250 0.018033 -0.000710 0.001030 1Rh 3py -0.000394 -0.007523 -0.006006 0.003976 -0.000421 -0.004066 1Rh 4pz -0.000097 -0.011449 0.012922 -0.007739 0.000920 0.002858 1Rh 4px 0.000575 -0.000210 0.006120 0.024217 -0.000806 0.001684 1Rh 4py -0.000648 -0.013491 -0.011087 0.005999 -0.000708 -0.007323 1Rh 5pz -0.000216 0.000076 -0.000197 -0.002506 -0.000147 0.000004 1Rh 5px 0.000270 -0.000036 -0.000287 0.007808 -0.000596 0.000347 1Rh 5py 0.000119 0.000113 0.000264 0.000551 0.000036 -0.000292 1Rh 6pz 0.000835 0.013358 -0.014630 0.020074 0.000808 -0.002763 1Rh 6px -0.001768 0.000444 -0.008037 -0.053405 0.003577 -0.006249 1Rh 6py -0.002110 0.015875 0.014742 -0.001171 0.000677 0.016568 1Rh 1dz2 -0.021146 0.009355 -0.009403 -0.001039 0.001818 0.000937 1Rh 1dxz -0.009415 -0.016231 0.015005 -0.000527 -0.000227 -0.001265 1Rh 1dyz 0.010307 0.003247 0.008089 0.000009 0.005927 -0.001220 1Rh 1dx2y2 -0.015582 0.001408 0.010529 0.002758 0.000380 -0.001106 1Rh 1dxy -0.001904 -0.019865 -0.012508 0.000877 0.002409 0.002493 1Rh 2dz2 0.000423 -0.000207 0.000193 -0.000018 -0.000031 -0.000020 1Rh 2dxz 0.000189 0.000362 -0.000325 -0.000021 0.000011 0.000041 1Rh 2dyz -0.000200 -0.000050 -0.000175 -0.000015 -0.000103 0.000040 1Rh 2dx2y2 0.000310 -0.000023 -0.000215 -0.000015 -0.000010 0.000041 1Rh 2dxy 0.000035 0.000430 0.000247 -0.000006 -0.000049 -0.000090 1Rh 3dz2 0.030511 -0.013435 0.013485 0.001638 -0.002638 -0.001346 1Rh 3dxz 0.013611 0.023330 -0.021537 0.000881 0.000306 0.001764 1Rh 3dyz -0.014911 -0.004711 -0.011541 0.000058 -0.008608 0.001696 1Rh 3dx2y2 0.022510 -0.001994 -0.015056 -0.004129 -0.000542 0.001516 1Rh 3dxy 0.002764 0.028455 0.017895 -0.001315 -0.003469 -0.003431 1Rh 4dz2 0.040216 -0.017966 0.017974 0.001698 -0.003323 -0.001788 1Rh 4dxz 0.017793 0.031173 -0.028659 0.000810 0.000467 0.002534 1Rh 4dyz -0.019527 -0.005947 -0.015478 -0.000159 -0.010912 0.002433 1Rh 4dx2y2 0.029647 -0.002643 -0.020056 -0.005050 -0.000707 0.002250 1Rh 4dxy 0.003628 0.037984 0.023644 -0.001664 -0.004513 -0.005050 1Rh 5dz2 0.034975 -0.015014 0.015404 0.000843 -0.004163 -0.001611 1Rh 5dxz 0.015878 0.025595 -0.024447 -0.000796 0.000549 0.001986 1Rh 5dyz -0.017223 -0.006270 -0.013389 -0.000078 -0.012734 0.002301 1Rh 5dx2y2 0.025673 -0.002472 -0.017790 -0.001723 -0.001120 0.001878 1Rh 5dxy 0.002989 0.032343 0.021410 0.000131 -0.005081 -0.004239 1Rh 1f0 -0.000493 -0.000229 0.000093 0.001081 0.001071 -0.002195 1Rh 1f+1 0.000555 -0.000416 0.000638 -0.000936 -0.001397 -0.000865 1Rh 1f-1 0.000399 -0.000290 -0.000023 -0.000153 0.001676 -0.001076 1Rh 1f+2 0.000227 0.000586 -0.000369 -0.001491 0.001086 -0.001655 1Rh 1f-2 -0.000239 -0.000093 -0.000502 -0.000756 -0.003193 -0.000825 1Rh 1f+3 -0.000740 0.000203 0.000609 -0.001600 0.000387 0.000109 1Rh 1f-3 -0.000231 -0.000596 -0.000317 -0.001005 0.001963 0.001009 2C 1s 0.000274 0.009394 -0.002802 0.006999 0.005842 0.000011 2C 2s 0.000587 0.020221 -0.006030 0.015055 0.012509 0.000032 2C 3s -0.001203 -0.033260 0.009850 -0.025484 -0.020753 -0.000165 2C 4s -0.000235 -0.038016 0.011434 -0.024699 -0.022367 -0.000740 2C 5s 0.002541 -0.044724 0.013958 -0.020654 -0.110292 0.002457 2C 1pz -0.034427 0.097482 -0.046983 0.078074 0.074057 -0.065814 2C 1px -0.022972 0.022978 -0.017573 0.020332 0.018107 -0.039675 2C 1py 0.061326 0.070798 0.006289 0.048013 0.050188 0.102970 2C 2pz -0.027662 0.078255 -0.038057 0.065435 0.060983 -0.052575 2C 2px -0.018471 0.019869 -0.014327 0.018250 0.016856 -0.031171 2C 2py 0.050477 0.056397 0.005179 0.039962 0.040488 0.081357 2C 3pz -0.008163 0.025253 -0.013192 0.024336 0.001757 -0.022243 2C 3px -0.005409 0.000068 -0.004537 0.002687 -0.003988 -0.013573 2C 3py 0.015167 0.019208 0.002766 0.015838 0.002815 0.033417 2C 1dz2 -0.000995 0.003984 -0.001655 0.003149 0.002970 -0.001286 2C 1dxz 0.001116 0.001818 -0.000020 0.001251 0.001294 0.002216 2C 1dyz 0.000684 0.006304 -0.001717 0.004794 0.004547 0.000434 2C 1dx2y2 -0.000377 -0.001680 0.000427 -0.001247 -0.001273 0.000024 2C 1dxy -0.002256 0.001124 -0.001374 0.001088 0.000865 -0.004008 2C 2dz2 -0.003427 0.003366 -0.002710 0.003496 0.003493 -0.004653 2C 2dxz -0.000720 0.000500 -0.000507 0.000890 0.000119 -0.000603 2C 2dyz 0.002547 0.007641 -0.001384 0.006689 0.007422 0.002468 2C 2dx2y2 -0.002185 -0.001551 -0.000320 -0.001266 -0.000901 -0.002173 2C 2dxy -0.001733 0.001896 -0.001652 0.002092 0.002100 -0.003110 2C 1f0 -0.000946 -0.000219 -0.000287 -0.000072 -0.000059 -0.001087 2C 1f+1 -0.000653 0.000366 -0.000375 0.000390 0.000391 -0.000889 2C 1f-1 -0.000066 0.000897 -0.000340 0.000845 0.000952 -0.000197 2C 1f+2 -0.000934 -0.000121 -0.000340 -0.000097 -0.000236 -0.001108 2C 1f-2 -0.000074 -0.000299 0.000071 -0.000130 -0.000149 -0.000021 2C 1f+3 0.000233 0.000909 -0.000190 0.000689 0.000682 0.000303 2C 1f-3 0.000339 0.000371 0.000007 0.000265 0.000330 0.000353 3C 1s -0.000216 -0.002610 -0.009276 0.006413 -0.006377 0.003002 3C 2s -0.000464 -0.005632 -0.019998 0.013823 -0.013686 0.006433 3C 3s 0.000479 0.009609 0.034177 -0.024254 0.023596 -0.011882 3C 4s 0.002464 0.008724 0.031000 -0.018314 0.020004 -0.003869 3C 5s 0.003671 0.014379 0.045890 -0.022210 0.114809 -0.014885 3C 1pz -0.060690 0.008147 -0.059366 0.037848 -0.044889 0.048688 3C 1px -0.011052 -0.006495 -0.040585 0.026117 -0.032161 0.021203 3C 1py -0.039372 0.045332 0.100277 -0.072584 0.083123 -0.024425 3C 2pz -0.049289 0.006710 -0.047639 0.031505 -0.035580 0.041030 3C 2px -0.009036 -0.005525 -0.034542 0.023291 -0.028298 0.018643 3C 2py -0.033046 0.037184 0.083168 -0.062613 0.070420 -0.023712 3C 3pz -0.014063 0.003032 -0.020358 0.015139 -0.006803 0.014638 3C 3px -0.001762 -0.002250 -0.008965 0.005992 0.000662 0.008077 3C 3py -0.011181 0.012391 0.025551 -0.022426 0.003670 -0.008300 3C 1dz2 -0.002417 0.001257 0.001153 -0.000941 0.000982 0.000384 3C 1dxz 0.000194 -0.000669 -0.001918 0.001383 -0.001570 0.000644 3C 1dyz -0.000771 0.001920 0.005487 -0.003885 0.004358 -0.001731 3C 1dx2y2 0.000754 0.000784 0.003873 -0.002659 0.003067 -0.002054 3C 1dxy 0.000992 0.000566 0.003468 -0.002328 0.002699 -0.001862 3C 2dz2 -0.004409 0.002469 0.001893 -0.001837 0.002320 0.000304 3C 2dxz -0.000978 -0.000227 -0.001756 0.001369 -0.001313 0.001547 3C 2dyz 0.000992 0.001797 0.008189 -0.006683 0.008585 -0.004375 3C 2dx2y2 -0.001618 0.001614 0.003955 -0.003451 0.003515 -0.002382 3C 2dxy 0.000412 0.000894 0.003915 -0.003002 0.003493 -0.002736 3C 1f0 0.000064 0.000261 0.001024 -0.000777 0.000939 -0.000530 3C 1f+1 -0.000419 0.000158 0.000020 -0.000021 -0.000013 0.000143 3C 1f-1 0.001140 -0.000230 0.000567 -0.000372 0.000480 -0.000510 3C 1f+2 -0.000044 -0.000027 -0.000066 -0.000069 0.000131 -0.000138 3C 1f-2 0.000438 -0.000132 0.000212 -0.000182 0.000312 -0.000398 3C 1f+3 0.000489 -0.000402 -0.000773 0.000606 -0.000801 0.000325 3C 1f-3 -0.000605 0.000374 0.000593 -0.000513 0.000634 -0.000153 4C 1s 0.000062 -0.001966 0.000449 -0.000462 0.000822 0.000739 4C 2s 0.000118 -0.004405 0.001015 -0.001145 0.001831 0.001615 4C 3s 0.000427 0.007489 -0.001849 0.005697 -0.006633 -0.002927 4C 4s -0.003046 0.007217 0.000002 -0.025521 0.008166 -0.001379 4C 5s 0.000681 0.030252 -0.006744 0.004112 0.035842 0.001773 4C 1pz -0.056658 -0.138996 0.019702 -0.103591 -0.105348 -0.070838 4C 1px -0.036919 -0.029700 -0.005748 -0.019340 -0.021929 -0.046436 4C 1py 0.093524 -0.083520 0.067041 -0.074318 -0.068978 0.129210 4C 2pz -0.046686 -0.097303 0.008663 -0.073815 -0.063089 -0.059782 4C 2px -0.030534 -0.020266 -0.005419 -0.012441 -0.013017 -0.039674 4C 2py 0.078394 -0.056151 0.054801 -0.053258 -0.040880 0.108743 4C 3pz -0.014282 -0.023697 0.000697 -0.011247 -0.083790 -0.014895 4C 3px -0.007954 -0.000750 0.001236 -0.003977 -0.015490 -0.007579 4C 3py 0.025151 -0.012071 0.014150 -0.009662 -0.056646 0.021235 4C 1dz2 -0.001426 -0.001056 -0.000256 -0.000608 -0.000448 -0.001389 4C 1dxz -0.000603 -0.000719 0.000017 -0.000394 -0.000350 -0.000589 4C 1dyz 0.000773 -0.001466 0.000768 -0.001248 -0.000706 0.000608 4C 1dx2y2 -0.001067 0.000622 -0.000582 0.000337 0.000271 -0.000762 4C 1dxy -0.000184 -0.000294 0.000032 -0.000270 -0.000203 -0.000171 4C 2dz2 -0.004604 -0.005147 -0.000824 -0.004056 -0.003454 -0.000653 4C 2dxz -0.001904 -0.002543 0.000221 -0.000595 -0.001489 -0.000351 4C 2dyz 0.002170 -0.004629 0.002761 -0.005432 -0.004839 0.000922 4C 2dx2y2 -0.003375 0.002315 -0.002174 0.000931 0.001110 -0.000238 4C 2dxy -0.001040 -0.000512 0.000187 -0.001287 -0.001231 -0.001187 4C 1f0 -0.000933 0.000642 -0.000726 0.000815 0.000574 -0.001389 4C 1f+1 0.000591 0.001704 -0.000380 0.001674 0.001331 0.000410 4C 1f-1 -0.000275 -0.001273 0.000222 -0.000741 -0.000868 -0.000326 4C 1f+2 -0.001756 -0.000998 -0.000508 -0.001012 -0.000713 -0.002207 4C 1f-2 -0.001883 -0.000636 -0.000606 -0.000240 -0.000375 -0.002368 4C 1f+3 0.002056 -0.000272 0.000937 -0.000463 -0.000274 0.002628 4C 1f-3 -0.001405 0.001449 -0.001115 0.001551 0.001213 -0.001900 5C 1s 0.000087 0.000877 0.001794 -0.000592 -0.000701 -0.002622 5C 2s 0.000189 0.001941 0.004018 -0.001418 -0.001572 -0.005828 5C 3s -0.000512 -0.003340 -0.007714 0.007009 0.005218 0.013193 5C 4s 0.000203 -0.003378 -0.001510 -0.029245 -0.002373 -0.006541 5C 5s -0.005372 -0.008516 -0.029124 0.003080 -0.035681 0.014311 5C 1pz -0.095258 0.058185 0.075127 -0.058040 0.067367 0.001860 5C 1px -0.017455 0.022158 0.051816 -0.040086 0.044527 -0.012169 5C 1py -0.060629 -0.014955 -0.138983 0.094162 -0.113390 0.068431 5C 2pz -0.079155 0.046892 0.049337 -0.041103 0.040279 0.006864 5C 2px -0.013739 0.017983 0.035945 -0.029887 0.027280 -0.006711 5C 2py -0.051849 -0.004332 -0.095059 0.066171 -0.067761 0.048648 5C 3pz -0.022176 0.009276 0.009794 -0.007463 0.051159 0.005266 5C 3px -0.005250 0.009154 0.009550 -0.003184 0.030989 -0.001407 5C 3py -0.018118 0.001202 -0.018822 0.010606 -0.083379 0.005526 5C 1dz2 -0.001543 0.000468 -0.000347 0.000261 -0.000236 0.000822 5C 1dxz -0.000733 0.000442 0.000571 -0.000326 0.000289 0.000741 5C 1dyz 0.000778 -0.000583 -0.001149 0.000924 -0.000634 -0.000001 5C 1dx2y2 -0.000855 0.000050 -0.001036 0.000521 -0.000458 -0.000716 5C 1dxy -0.000046 -0.000267 -0.000949 0.000702 -0.000519 -0.000314 5C 2dz2 -0.005157 0.002019 -0.001069 0.001963 -0.001461 0.002107 5C 2dxz -0.002075 0.001763 0.002941 -0.001838 0.001810 -0.000275 5C 2dyz 0.002522 -0.002341 -0.005362 0.005581 -0.005743 0.004466 5C 2dx2y2 -0.002115 -0.000072 -0.005653 0.002582 -0.003398 0.000878 5C 2dxy 0.000284 -0.001326 -0.004365 0.003468 -0.003672 0.001555 5C 1f0 0.000867 -0.000738 -0.001524 0.001122 -0.001274 0.000437 5C 1f+1 0.001354 -0.000882 -0.001327 0.001279 -0.001201 0.000367 5C 1f-1 0.002435 -0.001019 0.000144 0.000017 -0.000033 -0.000795 5C 1f+2 -0.001941 0.000488 -0.000886 0.000422 -0.000610 0.000724 5C 1f-2 0.000843 -0.000237 0.000701 -0.000697 0.000610 -0.000879 5C 1f+3 0.000205 -0.000355 -0.000910 0.001086 -0.000855 0.000589 5C 1f-3 0.000839 0.000151 0.001591 -0.001425 0.001337 -0.001196 6C 1s 0.000090 -0.000897 -0.001764 -0.000673 -0.000717 0.002609 6C 2s 0.000193 -0.001989 -0.003945 -0.001599 -0.001607 0.005798 6C 3s -0.000485 0.003560 0.007356 0.007358 0.005303 -0.013105 6C 4s 0.000057 0.002611 0.002986 -0.029193 -0.002441 0.006493 6C 5s -0.005244 0.008478 0.028784 0.004437 -0.035573 -0.014444 6C 1pz 0.095001 0.059662 0.071423 0.060450 -0.068260 0.000471 6C 1px 0.017534 0.022980 0.049409 0.042268 -0.044673 -0.012593 6C 1py 0.059995 -0.016356 -0.134184 -0.101216 0.112490 0.068701 6C 2pz 0.078914 0.048045 0.046662 0.042434 -0.041057 0.005827 6C 2px 0.013828 0.018627 0.034163 0.031371 -0.027433 -0.006993 6C 2py 0.051303 -0.005373 -0.091797 -0.071167 0.067049 0.048657 6C 3pz 0.022173 0.009390 0.009306 0.007694 -0.051307 0.004658 6C 3px 0.005274 0.009147 0.009354 0.003481 -0.031035 -0.001749 6C 3py 0.017930 0.001284 -0.018490 -0.011673 0.083294 0.006178 6C 1dz2 -0.001535 -0.000470 0.000339 0.000292 -0.000219 -0.000813 6C 1dxz -0.000733 -0.000451 -0.000550 -0.000344 0.000302 -0.000732 6C 1dyz 0.000781 0.000606 0.001094 0.000969 -0.000640 -0.000007 6C 1dx2y2 -0.000846 -0.000044 0.001009 0.000574 -0.000458 0.000715 6C 1dxy -0.000039 0.000282 0.000912 0.000747 -0.000524 0.000309 6C 2dz2 -0.005119 -0.001997 0.000995 0.002066 -0.001423 -0.002097 6C 2dxz -0.002048 -0.001784 -0.002824 -0.001949 0.001825 0.000298 6C 2dyz 0.002520 0.002459 0.005057 0.005809 -0.005725 -0.004505 6C 2dx2y2 -0.002122 0.000093 0.005501 0.002870 -0.003396 -0.000910 6C 2dxy 0.000294 0.001376 0.004157 0.003659 -0.003663 -0.001585 6C 1f0 -0.000867 -0.000764 -0.001460 -0.001182 0.001279 0.000455 6C 1f+1 -0.001355 -0.000915 -0.001251 -0.001328 0.001211 0.000386 6C 1f-1 -0.002422 -0.001030 0.000160 0.000019 0.000059 -0.000772 6C 1f+2 0.001931 0.000489 -0.000873 -0.000485 0.000591 0.000712 6C 1f-2 -0.000839 -0.000227 0.000672 0.000741 -0.000596 -0.000877 6C 1f+3 -0.000212 -0.000378 -0.000846 -0.001124 0.000853 0.000594 6C 1f-3 -0.000828 0.000177 0.001521 0.001506 -0.001322 -0.001199 7C 1s 0.000048 0.001948 -0.000424 -0.000514 0.000843 -0.000746 7C 2s 0.000089 0.004362 -0.000952 -0.001264 0.001877 -0.001632 7C 3s 0.000458 -0.007364 0.001523 0.005905 -0.006717 0.002952 7C 4s -0.002921 -0.007595 0.001489 -0.025419 0.008110 0.001450 7C 5s 0.000676 -0.029869 0.006371 0.005185 0.035889 -0.001039 7C 1pz 0.057088 -0.135660 0.013847 0.107603 0.106285 -0.069596 7C 1px 0.036808 -0.029092 -0.006940 0.019666 0.022345 -0.045987 7C 1py -0.092372 -0.082041 0.063384 0.079625 0.068334 0.129620 7C 2pz 0.046992 -0.095002 0.004427 0.076369 0.063852 -0.058983 7C 2px 0.030376 -0.019865 -0.006218 0.012596 0.013359 -0.039322 7C 2py -0.077458 -0.055163 0.052170 0.057293 0.040235 0.108902 7C 3pz 0.014288 -0.023144 -0.000081 0.011794 0.084066 -0.013856 7C 3px 0.007886 -0.000554 0.000960 0.004033 0.015414 -0.007347 7C 3py -0.025050 -0.011767 0.013648 0.010578 0.056636 0.021986 7C 1dz2 -0.001426 0.001028 0.000298 -0.000615 -0.000462 0.001390 7C 1dxz -0.000605 0.000706 0.000009 -0.000411 -0.000361 0.000590 7C 1dyz 0.000753 0.001435 -0.000699 -0.001319 -0.000709 -0.000609 7C 1dx2y2 -0.001048 -0.000616 0.000563 0.000379 0.000274 0.000748 7C 1dxy -0.000181 0.000290 -0.000018 -0.000281 -0.000207 0.000162 7C 2dz2 -0.004651 0.004990 0.001068 -0.004095 -0.003467 0.000699 7C 2dxz -0.001907 0.002495 -0.000190 -0.000668 -0.001509 0.000372 7C 2dyz 0.002146 0.004506 -0.002487 -0.005692 -0.004851 -0.000991 7C 2dx2y2 -0.003324 -0.002293 0.002149 0.001110 0.001128 0.000187 7C 2dxy -0.001024 0.000488 -0.000109 -0.001311 -0.001249 0.001159 7C 1f0 0.000920 0.000632 -0.000685 -0.000871 -0.000570 -0.001387 7C 1f+1 -0.000600 0.001662 -0.000285 -0.001731 -0.001341 0.000399 7C 1f-1 0.000296 -0.001248 0.000174 0.000778 0.000873 -0.000339 7C 1f+2 0.001751 -0.000958 -0.000573 0.001005 0.000730 -0.002198 7C 1f-2 0.001877 -0.000616 -0.000629 0.000221 0.000393 -0.002364 7C 1f+3 -0.002040 -0.000267 0.000920 0.000517 0.000254 0.002623 7C 1f-3 0.001386 0.001416 -0.001032 -0.001638 -0.001199 -0.001906 8C 1s -0.000184 0.002733 0.008927 0.006842 -0.006365 -0.003043 8C 2s -0.000396 0.005898 0.019246 0.014745 -0.013661 -0.006522 8C 3s 0.000366 -0.010078 -0.032850 -0.025827 0.023543 0.012034 8C 4s 0.002304 -0.009087 -0.030038 -0.019764 0.020013 0.003990 8C 5s 0.003523 -0.014510 -0.044747 -0.024306 0.114764 0.015884 8C 1pz 0.060245 0.007742 -0.057678 -0.041329 0.043977 0.048256 8C 1px 0.010919 -0.006923 -0.039370 -0.028182 0.031970 0.021368 8C 1py 0.039437 0.046832 0.095984 0.076676 -0.083420 -0.025457 8C 2pz 0.048955 0.006375 -0.046224 -0.034303 0.034853 0.040685 8C 2px 0.008936 -0.005906 -0.033449 -0.025055 0.028163 0.018786 8C 2py 0.033078 0.038453 0.079466 0.066002 -0.070609 -0.024568 8C 3pz 0.013912 0.002794 -0.019566 -0.016288 0.006463 0.014432 8C 3px 0.001703 -0.002370 -0.008587 -0.006371 -0.000846 0.008048 8C 3py 0.011128 0.012919 0.024272 0.023484 -0.003816 -0.008417 8C 1dz2 -0.002408 -0.001285 -0.001088 -0.000967 0.001008 -0.000351 8C 1dxz 0.000245 0.000715 0.001836 0.001468 -0.001572 -0.000639 8C 1dyz -0.000761 -0.001987 -0.005270 -0.004125 0.004360 0.001783 8C 1dx2y2 0.000721 -0.000838 -0.003733 -0.002850 0.003049 0.002053 8C 1dxy 0.001000 -0.000595 -0.003351 -0.002501 0.002679 0.001878 8C 2dz2 -0.004386 -0.002523 -0.001786 -0.001885 0.002378 -0.000239 8C 2dxz -0.000940 0.000263 0.001685 0.001458 -0.001296 -0.001536 8C 2dyz 0.000985 -0.001894 -0.007814 -0.007058 0.008539 0.004426 8C 2dx2y2 -0.001619 -0.001684 -0.003750 -0.003619 0.003517 0.002411 8C 2dxy 0.000423 -0.000935 -0.003753 -0.003185 0.003463 0.002763 8C 1f0 -0.000062 0.000275 0.000985 0.000827 -0.000937 -0.000538 8C 1f+1 0.000421 0.000157 0.000002 0.000007 0.000020 0.000145 8C 1f-1 -0.001132 -0.000230 0.000549 0.000405 -0.000464 -0.000502 8C 1f+2 0.000048 -0.000022 -0.000067 0.000069 -0.000133 -0.000139 8C 1f-2 -0.000437 -0.000136 0.000193 0.000187 -0.000294 -0.000392 8C 1f+3 -0.000489 -0.000418 -0.000746 -0.000643 0.000810 0.000339 8C 1f-3 0.000599 0.000381 0.000551 0.000527 -0.000631 -0.000160 9C 1s 0.000294 -0.009188 0.002431 0.007342 0.005866 0.000095 9C 2s 0.000631 -0.019778 0.005231 0.015790 0.012560 0.000197 9C 3s -0.001268 0.032498 -0.008496 -0.026682 -0.020826 -0.000215 9C 4s -0.000318 0.037319 -0.010135 -0.026112 -0.022511 0.000241 9C 5s 0.002377 0.043786 -0.012510 -0.022241 -0.110427 -0.003859 9C 1pz 0.034039 0.095096 -0.042966 -0.082293 -0.073517 -0.067120 9C 1px 0.022768 0.022236 -0.016554 -0.021588 -0.017735 -0.039864 9C 1py -0.060982 0.069672 0.008825 -0.049772 -0.051648 0.101598 9C 2pz 0.027356 0.076261 -0.034691 -0.068820 -0.060507 -0.053571 9C 2px 0.018310 0.019247 -0.013416 -0.019318 -0.016588 -0.031362 9C 2py -0.050225 0.055516 0.007287 -0.041424 -0.041744 0.080355 9C 3pz 0.008016 0.024669 -0.012006 -0.025556 -0.001725 -0.022316 9C 3px 0.005373 -0.000029 -0.004414 -0.002866 0.004134 -0.013492 9C 3py -0.015028 0.018673 0.003593 -0.016120 -0.002926 0.033059 9C 1dz2 -0.001000 -0.003870 0.001494 0.003298 0.002947 0.001368 9C 1dxz 0.001100 -0.001763 -0.000047 0.001283 0.001308 -0.002164 9C 1dyz 0.000749 -0.006185 0.001445 0.005032 0.004585 -0.000451 9C 1dx2y2 -0.000291 0.001663 -0.000406 -0.001331 -0.001292 -0.000206 9C 1dxy -0.002231 -0.001094 0.001319 0.001172 0.000828 0.003995 9C 2dz2 -0.003413 -0.003252 0.002536 0.003676 0.003444 0.004697 9C 2dxz -0.000735 -0.000424 0.000459 0.000883 0.000067 0.000624 9C 2dyz 0.002570 -0.007464 0.001015 0.006949 0.007481 -0.002417 9C 2dx2y2 -0.002123 0.001511 0.000360 -0.001298 -0.000926 0.002062 9C 2dxy -0.001691 -0.001840 0.001534 0.002206 0.002069 0.003086 9C 1f0 0.000940 -0.000223 -0.000290 0.000072 0.000078 -0.001079 9C 1f+1 0.000642 0.000347 -0.000351 -0.000407 -0.000375 -0.000881 9C 1f-1 0.000079 0.000881 -0.000304 -0.000889 -0.000958 -0.000230 9C 1f+2 0.000930 -0.000099 -0.000353 0.000072 0.000234 -0.001107 9C 1f-2 0.000085 -0.000289 0.000056 0.000132 0.000145 -0.000033 9C 1f+3 -0.000239 0.000875 -0.000146 -0.000709 -0.000678 0.000301 9C 1f-3 -0.000348 0.000399 0.000016 -0.000301 -0.000362 0.000361 10H 1s -0.006234 -0.030256 0.006793 -0.022115 -0.021187 -0.008631 10H 2s -0.008980 -0.039704 0.008163 -0.029341 -0.028389 -0.012850 10H 3s -0.003189 0.000246 -0.000375 -0.000130 0.005414 -0.003740 10H 1pz -0.001957 0.001081 -0.001285 0.001043 0.000864 -0.003360 10H 1px 0.000117 0.005210 -0.001542 0.003964 0.003882 -0.000071 10H 1py 0.001953 0.001881 0.000311 0.001245 0.001256 0.003332 11H 1s 0.031972 -0.030213 0.024419 -0.026323 -0.022681 0.058135 11H 2s 0.042545 -0.038306 0.032042 -0.033971 -0.027941 0.079439 11H 3s 0.012698 -0.010730 0.007523 -0.009758 -0.005936 0.019392 11H 1pz 0.002421 0.000689 0.000874 0.000277 0.000521 0.004244 11H 1px 0.002726 -0.001965 0.001910 -0.001763 -0.001277 0.005046 11H 1py 0.000030 0.004316 -0.001378 0.003324 0.003039 -0.000305 12H 1s -0.026526 -0.034131 -0.001809 -0.023336 -0.023198 -0.045779 12H 2s -0.035440 -0.044375 -0.002701 -0.030832 -0.030022 -0.062698 12H 3s -0.011266 -0.008507 -0.001810 -0.005964 -0.002166 -0.017731 12H 1pz -0.000590 0.004774 -0.001740 0.003709 0.003460 -0.001232 12H 1px -0.002730 -0.001449 -0.000810 -0.000823 -0.000774 -0.004723 12H 1py -0.001956 -0.002166 -0.000243 -0.001505 -0.001468 -0.003496 13H 1s 0.009609 0.005166 0.030941 -0.021489 0.023507 -0.015792 13H 2s 0.013047 0.006192 0.040923 -0.029014 0.031978 -0.021430 13H 3s 0.003965 -0.000498 -0.000078 0.000537 -0.005859 -0.003842 13H 1pz -0.001030 0.000758 0.001219 -0.001012 0.001140 -0.000031 13H 1px -0.001391 -0.000887 -0.005276 0.003631 -0.004163 0.002557 13H 1py -0.002118 0.001487 0.002076 -0.001529 0.001758 0.000042 14H 1s 0.023066 -0.000401 0.032770 -0.020746 0.024177 -0.022206 14H 2s 0.030439 -0.000879 0.042396 -0.026940 0.031049 -0.029909 14H 3s 0.010041 -0.002289 0.005294 -0.003684 -0.000004 -0.005028 14H 1pz -0.000124 0.000144 0.000405 -0.000241 0.000390 -0.000154 14H 1px 0.002902 -0.000380 0.002979 -0.001843 0.002050 -0.002383 14H 1py -0.001150 0.001727 0.004466 -0.003178 0.003612 -0.001309 15H 1s -0.033216 0.022815 0.031050 -0.023546 0.025671 0.002273 15H 2s -0.044339 0.029843 0.039756 -0.030115 0.031652 0.003427 15H 3s -0.013312 0.006682 0.010803 -0.008387 0.007090 0.004790 15H 1pz 0.001151 -0.001938 -0.004940 0.003497 -0.003722 0.001510 15H 1px -0.001609 0.000518 -0.000550 0.000261 -0.000484 0.000918 15H 1py 0.003152 -0.001248 0.000083 0.000053 0.000152 -0.001384 16H 1s -0.000136 -0.001569 0.008945 -0.001897 -0.001157 -0.002948 16H 2s 0.000323 -0.002116 0.010827 0.002000 0.000572 -0.004753 16H 3s 0.000001 0.005935 0.000758 -0.003412 0.001558 -0.000878 16H 1pz -0.000098 0.000060 0.000699 -0.000055 -0.000070 -0.000544 16H 1px -0.000152 -0.000355 0.000169 -0.000744 -0.000191 -0.000137 16H 1py 0.000173 -0.001117 0.000403 -0.000263 -0.000273 0.000189 17H 1s -0.000223 0.007924 -0.004485 -0.001257 0.001774 0.000016 17H 2s 0.000628 0.009865 -0.006411 0.002617 0.000466 -0.002296 17H 3s 0.000176 0.003260 0.005184 -0.003212 -0.000918 -0.000888 17H 1pz 0.000192 -0.000463 0.000071 0.000408 -0.000178 0.000405 17H 1px -0.000128 -0.000511 -0.000153 -0.000625 0.000110 0.000288 17H 1py 0.000107 0.000003 -0.001133 -0.000215 0.000308 0.000230 18H 1s -0.000226 -0.008069 0.004367 -0.000848 0.001783 0.000082 18H 2s 0.000711 -0.009976 0.006017 0.003169 0.000565 0.002392 18H 3s 0.000170 -0.003222 -0.005045 -0.003420 -0.000853 0.000903 18H 1pz -0.000187 -0.000482 0.000094 -0.000394 0.000177 0.000407 18H 1px 0.000142 -0.000490 -0.000191 0.000628 -0.000099 0.000287 18H 1py -0.000108 0.000014 -0.001138 0.000149 -0.000314 0.000237 19H 1s -0.000127 0.001734 -0.008805 -0.002412 -0.001177 0.002899 19H 2s 0.000256 0.002451 -0.010893 0.001363 0.000591 0.004753 19H 3s 0.000021 -0.006007 -0.000727 -0.003324 0.001599 0.000916 19H 1pz 0.000106 0.000065 0.000701 0.000092 0.000068 -0.000547 19H 1px 0.000145 -0.000331 0.000120 0.000759 0.000197 -0.000131 19H 1py -0.000169 -0.001115 0.000388 0.000313 0.000268 0.000191 20H 1s -0.033077 -0.023376 -0.029539 -0.024544 0.026056 -0.001652 20H 2s -0.044145 -0.030585 -0.037798 -0.031371 0.032179 -0.002602 20H 3s -0.013309 -0.006885 -0.010218 -0.008726 0.007206 -0.004586 20H 1pz -0.001155 -0.002010 -0.004745 -0.003712 0.003734 0.001555 20H 1px 0.001638 0.000547 -0.000523 -0.000284 0.000441 0.000907 20H 1py -0.003117 -0.001254 0.000116 -0.000002 -0.000116 -0.001341 21H 1s 0.023061 0.000204 -0.031844 -0.022555 0.023810 0.022189 21H 2s 0.030436 0.000616 -0.041225 -0.029308 0.030553 0.029880 21H 3s 0.010086 0.002275 -0.005254 -0.004100 -0.000036 0.004931 21H 1pz 0.000088 0.000143 0.000426 0.000281 -0.000410 -0.000186 21H 1px -0.002893 -0.000370 0.002881 0.002002 -0.001986 -0.002360 21H 1py 0.001145 0.001787 0.004289 0.003373 -0.003619 -0.001354 22H 1s 0.009235 -0.005617 -0.029764 -0.023017 0.023326 0.015710 22H 2s 0.012526 -0.006814 -0.039328 -0.031051 0.031724 0.021296 22H 3s 0.003833 0.000485 0.000067 0.000541 -0.005958 0.003708 22H 1pz 0.001067 0.000791 0.001126 0.001037 -0.001131 -0.000023 22H 1px 0.001348 -0.000961 -0.005096 -0.003903 0.004149 0.002563 22H 1py 0.002101 0.001513 0.001962 0.001583 -0.001764 0.000006 23H 1s -0.026745 0.033408 0.003249 -0.024060 -0.023737 0.045806 23H 2s -0.035709 0.043397 0.004591 -0.031738 -0.030705 0.062733 23H 3s -0.011348 0.008488 0.002114 -0.006243 -0.002576 0.017845 23H 1pz 0.000549 0.004672 -0.001536 -0.003899 -0.003459 -0.001248 23H 1px 0.002677 -0.001350 -0.000862 0.000766 0.000767 -0.004632 23H 1py 0.002020 -0.002124 -0.000357 0.001545 0.001504 -0.003591 24H 1s 0.031458 0.029522 -0.023032 -0.028115 -0.022237 -0.057984 24H 2s 0.041908 0.037374 -0.030275 -0.036279 -0.027314 -0.079235 24H 3s 0.012545 0.010403 -0.007050 -0.010269 -0.005670 -0.019401 24H 1pz -0.002364 0.000690 0.000874 -0.000266 -0.000564 0.004143 24H 1px -0.002732 -0.001963 0.001852 0.001934 0.001267 0.005111 24H 1py -0.000101 0.004205 -0.001171 -0.003470 -0.003044 -0.000249 25H 1s -0.005856 0.029606 -0.005791 -0.023140 -0.021314 0.007473 25H 2s -0.008443 0.038873 -0.006861 -0.030685 -0.028605 0.011227 25H 3s -0.002963 -0.000252 0.000289 -0.000090 0.005450 0.003477 25H 1pz 0.001901 0.001024 -0.001210 -0.001099 -0.000812 -0.003292 25H 1px -0.000071 0.005085 -0.001358 -0.004153 -0.003889 -0.000245 25H 1py -0.001966 0.001901 0.000375 -0.001325 -0.001342 0.003334 26O 1s -0.000216 -0.009967 0.003249 -0.008156 -0.007746 -0.000446 26O 2s -0.000505 -0.023918 0.007794 -0.019555 -0.018628 -0.001067 26O 3s 0.000533 0.036232 -0.011759 0.029259 0.028884 0.001622 26O 4s 0.002325 0.056216 -0.018359 0.046852 0.039506 0.002706 26O 5s -0.000142 0.050668 -0.020220 0.048830 0.061349 0.002230 26O 1pz -0.049330 -0.089403 0.008373 -0.065774 -0.061519 -0.057530 26O 1px -0.029384 0.103196 -0.045632 0.085022 0.084543 -0.038286 26O 1py 0.084004 -0.005260 0.034584 -0.010774 -0.002779 0.099267 26O 2pz -0.041490 -0.074705 0.006354 -0.055350 -0.051572 -0.048528 26O 2px -0.025085 0.080528 -0.036526 0.066352 0.066902 -0.032450 26O 2py 0.070369 -0.006171 0.030491 -0.011060 -0.003844 0.083657 26O 3pz -0.021298 -0.040013 0.007387 -0.031425 -0.020380 -0.024914 26O 3px -0.013137 0.049993 -0.016811 0.026989 0.037714 -0.016739 26O 3py 0.037455 -0.002630 0.013372 -0.009492 0.003036 0.048446 26O 1dz2 -0.000237 0.000988 -0.000416 0.000891 0.000918 0.000046 26O 1dxz 0.001058 0.002325 -0.000222 0.001660 0.001503 0.001436 26O 1dyz 0.000506 0.000893 -0.000062 0.000622 0.000590 0.000372 26O 1dx2y2 0.001272 -0.002147 0.001332 -0.001930 -0.001798 0.001962 26O 1dxy -0.001703 -0.000281 -0.000651 -0.000191 -0.000383 -0.002050 26O 2dz2 -0.001005 0.001569 -0.000791 0.001042 0.002175 -0.000819 26O 2dxz 0.002944 0.009255 -0.001645 0.006864 0.006471 0.003819 26O 2dyz 0.001921 0.002630 -0.000047 0.002016 0.002168 0.002301 26O 2dx2y2 0.003503 -0.005953 0.003383 -0.004535 -0.005399 0.004983 26O 2dxy -0.005016 0.001010 -0.002619 0.001614 0.000103 -0.006504 26O 1f0 0.000202 0.000802 -0.000202 0.000637 0.000608 0.000334 26O 1f+1 -0.000165 -0.000958 0.000271 -0.000727 -0.000862 -0.000186 26O 1f-1 -0.000472 -0.000309 -0.000069 -0.000181 -0.000287 -0.000584 26O 1f+2 -0.000757 -0.000749 -0.000049 -0.000528 -0.000513 -0.000935 26O 1f-2 -0.000355 -0.000849 0.000096 -0.000666 -0.000650 -0.000400 26O 1f+3 0.001260 -0.001056 0.000801 -0.000911 -0.000914 0.001696 26O 1f-3 -0.000441 -0.000593 -0.000017 -0.000364 -0.000573 -0.000579 27O 1s -0.000106 0.002706 0.010248 -0.007834 0.008498 -0.000350 27O 2s -0.000269 0.006487 0.024555 -0.018758 0.020412 -0.000790 27O 3s 0.000658 -0.009763 -0.036752 0.027723 -0.031288 0.000087 27O 4s -0.000652 -0.015192 -0.059019 0.045680 -0.044519 0.006766 27O 5s 0.000812 -0.017267 -0.055452 0.053578 -0.068051 -0.002358 27O 1pz -0.084239 0.047512 0.060414 -0.047134 0.050935 0.007523 27O 1px -0.016054 -0.021632 -0.099633 0.073281 -0.086520 0.031468 27O 1py -0.052548 -0.000280 -0.071664 0.046562 -0.051716 0.032157 27O 2pz -0.070628 0.040085 0.049081 -0.039011 0.042049 0.006419 27O 2px -0.012822 -0.016336 -0.077061 0.055418 -0.067541 0.023742 27O 2py -0.044513 0.000380 -0.060383 0.040103 -0.044063 0.028027 27O 3pz -0.038247 0.019021 0.029038 -0.017868 0.017862 0.002105 27O 3px -0.007829 -0.008772 -0.045322 0.021009 -0.038440 0.010600 27O 3py -0.022553 -0.004527 -0.033114 0.021675 -0.016058 0.017811 27O 1dz2 -0.000589 0.000009 -0.000776 0.000636 -0.000770 0.000317 27O 1dxz 0.001887 -0.001301 -0.001758 0.001374 -0.001458 0.000012 27O 1dyz -0.000256 0.000099 -0.000126 0.000096 -0.000051 0.000056 27O 1dx2y2 0.000453 0.000422 0.002225 -0.001731 0.002008 -0.000998 27O 1dxy 0.001184 -0.000018 0.001798 -0.001076 0.001156 -0.000932 27O 2dz2 -0.002165 0.000620 -0.001031 0.000228 -0.001290 0.000924 27O 2dxz 0.005465 -0.004025 -0.006466 0.004747 -0.005590 -0.000058 27O 2dyz -0.000634 -0.000042 -0.000939 0.000416 -0.000348 0.001289 27O 2dx2y2 0.000859 0.000685 0.004437 -0.002424 0.004733 -0.001158 27O 2dxy 0.003860 0.000724 0.008100 -0.005721 0.005933 -0.003132 27O 1f0 0.000837 -0.000499 -0.000791 0.000574 -0.000725 0.000050 27O 1f+1 0.000089 0.000081 0.000585 -0.000351 0.000568 -0.000159 27O 1f-1 0.000462 -0.000114 0.000284 -0.000191 0.000196 -0.000187 27O 1f+2 -0.000937 0.000551 0.000791 -0.000606 0.000707 0.000126 27O 1f-2 0.000652 -0.000289 -0.000252 0.000210 -0.000279 -0.000079 27O 1f+3 0.000623 0.000224 0.001456 -0.000958 0.001339 -0.000646 27O 1f-3 0.000623 0.000018 0.000851 -0.000599 0.000618 -0.000475 28O 1s 0.000101 -0.010008 0.003244 -0.008325 -0.007685 -0.000432 28O 2s 0.000258 -0.023992 0.007786 -0.019948 -0.018479 -0.001038 28O 3s -0.000591 0.036021 -0.011831 0.029659 0.028611 0.001711 28O 4s 0.000269 0.057637 -0.018205 0.048538 0.039304 0.001652 28O 5s -0.001196 0.052845 -0.015568 0.053432 0.062063 0.003177 28O 1pz -0.051367 -0.016619 -0.015200 -0.006326 -0.004470 -0.059381 28O 1px -0.030839 -0.125144 0.027284 -0.097007 -0.095777 -0.035255 28O 1py 0.082753 -0.047049 0.048456 -0.044101 -0.035834 0.100798 28O 2pz -0.042915 -0.017240 -0.012114 -0.009359 -0.006193 -0.049459 28O 2px -0.025751 -0.099528 0.021032 -0.076480 -0.076726 -0.029755 28O 2py 0.069235 -0.039134 0.041294 -0.037521 -0.030226 0.084474 28O 3pz -0.023803 -0.006318 -0.005928 -0.006551 0.004952 -0.026333 28O 3px -0.013770 -0.057006 0.014643 -0.033258 -0.040484 -0.017662 28O 3py 0.036757 -0.022500 0.018054 -0.019402 -0.010508 0.048846 28O 1dz2 0.001005 0.001955 -0.000127 0.001382 0.001300 0.001571 28O 1dxz -0.000654 0.000804 -0.000541 0.000897 0.000932 -0.000633 28O 1dyz -0.001033 0.000692 -0.000719 0.000623 0.000514 -0.001577 28O 1dx2y2 -0.000701 -0.002394 0.000457 -0.001922 -0.001831 -0.000515 28O 1dxy 0.001682 -0.001073 0.001123 -0.000966 -0.000752 0.002180 28O 2dz2 0.002661 0.006962 -0.000971 0.005134 0.005003 0.003843 28O 2dxz -0.002371 -0.000128 -0.001075 -0.000369 0.001359 -0.002539 28O 2dyz -0.002797 0.002710 -0.002140 0.002484 0.002312 -0.003749 28O 2dx2y2 -0.002413 -0.006995 0.001286 -0.004704 -0.005853 -0.002769 28O 2dxy 0.004996 -0.004869 0.003749 -0.004251 -0.003472 0.006688 28O 1f0 -0.000799 -0.000962 0.000024 -0.000665 -0.000798 -0.000976 28O 1f+1 0.000826 0.000785 0.000055 0.000581 0.000515 0.001071 28O 1f-1 0.000142 -0.000433 0.000172 -0.000363 -0.000373 0.000268 28O 1f+2 -0.000313 0.001031 -0.000472 0.000792 0.000961 -0.000371 28O 1f-2 -0.001043 0.000485 -0.000560 0.000510 0.000398 -0.001375 28O 1f+3 0.000100 0.001028 -0.000239 0.000764 0.000846 0.000086 28O 1f-3 -0.000777 0.000379 -0.000431 0.000363 0.000284 -0.001058 29O 1s -0.000015 0.001505 0.000919 0.000302 0.000094 -0.000658 29O 2s -0.000030 0.003628 0.002206 0.000853 0.000220 -0.001586 29O 3s -0.000046 -0.005776 -0.003386 -0.003045 -0.000264 0.002444 29O 4s 0.000625 -0.007336 -0.005162 0.006967 -0.000844 0.003203 29O 5s -0.001940 -0.009335 -0.003749 -0.025425 0.000225 0.006562 29O 1pz 0.000163 0.009232 -0.019489 0.003814 0.004198 0.005424 29O 1px -0.000851 0.008705 -0.002480 -0.006983 0.002450 -0.001384 29O 1py 0.000656 -0.016180 -0.008343 0.001921 -0.001390 0.006524 29O 2pz 0.000098 0.007325 -0.016095 0.003774 0.003383 0.004385 29O 2px -0.000785 0.007842 -0.001453 -0.007475 0.002078 -0.001030 29O 2py 0.000645 -0.012925 -0.006622 0.002236 -0.001167 0.005413 29O 3pz -0.000094 0.003444 -0.006756 -0.001237 0.004352 0.002929 29O 3px -0.000189 0.001741 -0.002207 0.006497 0.001313 0.000047 29O 3py 0.000606 -0.010508 -0.006600 0.003496 -0.000813 0.001413 29O 1dz2 0.000016 -0.000214 0.000297 -0.000048 -0.000043 -0.000063 29O 1dxz 0.000008 0.000261 -0.000280 -0.000038 0.000050 0.000041 29O 1dyz -0.000008 -0.000231 0.000408 -0.000065 -0.000064 -0.000090 29O 1dx2y2 0.000015 -0.000052 -0.000191 0.000101 0.000000 0.000085 29O 1dxy 0.000006 -0.000189 0.000120 0.000114 -0.000048 0.000012 29O 2dz2 0.000154 -0.000861 0.000477 0.000014 -0.000113 0.000038 29O 2dxz 0.000030 0.000470 -0.000721 0.000338 0.000162 0.000329 29O 2dyz -0.000068 -0.000565 0.001167 -0.000120 -0.000052 -0.000441 29O 2dx2y2 0.000143 -0.000466 -0.000553 -0.000670 0.000123 0.000282 29O 2dxy 0.000086 -0.000422 0.000353 0.000318 -0.000055 -0.000130 29O 1f0 0.000036 0.000032 -0.000140 0.000113 0.000040 0.000024 29O 1f+1 -0.000032 0.000106 -0.000142 -0.000047 0.000040 0.000039 29O 1f-1 -0.000000 -0.000018 -0.000128 0.000087 0.000028 0.000024 29O 1f+2 -0.000010 -0.000013 0.000062 -0.000073 -0.000006 -0.000010 29O 1f-2 0.000027 -0.000145 0.000130 0.000027 -0.000071 -0.000045 29O 1f+3 0.000020 0.000112 -0.000010 -0.000089 0.000033 0.000001 29O 1f-3 0.000005 0.000108 -0.000023 -0.000066 0.000043 0.000007 30O 1s -0.000511 0.002613 0.009977 -0.007116 0.008208 -0.000332 30O 2s -0.001218 0.006262 0.023923 -0.017051 0.019728 -0.000751 30O 3s 0.001783 -0.009403 -0.036001 0.025321 -0.030378 0.000048 30O 4s 0.002779 -0.015176 -0.057294 0.041753 -0.042860 0.006816 30O 5s 0.002957 -0.010007 -0.049967 0.042947 -0.064365 -0.003739 30O 1pz -0.081401 0.027339 -0.012326 0.003086 -0.010680 0.027732 30O 1px -0.020254 0.042642 0.130181 -0.093123 0.108465 -0.029453 30O 1py -0.056415 0.010700 -0.031918 0.020957 -0.018136 0.021396 30O 2pz -0.068008 0.024256 -0.007768 0.000206 -0.006704 0.021597 30O 2px -0.016707 0.034467 0.103974 -0.074562 0.087373 -0.022990 30O 2py -0.047228 0.008773 -0.029485 0.020220 -0.017436 0.019823 30O 3pz -0.036651 0.006932 -0.007079 -0.004261 -0.008711 0.010467 30O 3px -0.009145 0.021162 0.061894 -0.033629 0.044149 -0.011941 30O 3py -0.025283 0.004579 -0.011189 0.013682 -0.001924 0.013016 30O 1dz2 0.001441 -0.000946 -0.001137 0.000927 -0.000984 -0.000159 30O 1dxz -0.001384 0.000240 -0.001364 0.000947 -0.001206 0.000877 30O 1dyz -0.000130 0.000280 0.000616 -0.000402 0.000327 -0.000141 30O 1dx2y2 0.000128 0.000720 0.002881 -0.002056 0.002265 -0.001073 30O 1dxy -0.001337 0.000625 0.000375 -0.000417 0.000626 0.000120 30O 2dz2 0.003716 -0.002602 -0.003718 0.002679 -0.003206 -0.000068 30O 2dxz -0.004474 0.001031 -0.002608 0.001001 -0.002751 0.001752 30O 2dyz -0.000369 0.000959 0.002998 -0.002481 0.002145 -0.000032 30O 2dx2y2 -0.000003 0.002674 0.009637 -0.006525 0.008031 -0.002463 30O 2dxy -0.003746 0.001170 -0.001373 0.001191 0.000050 0.001950 30O 1f0 -0.000229 0.000165 0.000432 -0.000264 0.000406 0.000032 30O 1f+1 0.001034 -0.000481 -0.000454 0.000382 -0.000390 -0.000174 30O 1f-1 0.001126 -0.000465 -0.000243 0.000260 -0.000250 -0.000236 30O 1f+2 -0.000411 -0.000198 -0.001301 0.000889 -0.001139 0.000573 30O 1f-2 -0.000055 -0.000048 -0.000174 0.000036 -0.000265 0.000103 30O 1f+3 -0.000489 -0.000157 -0.001007 0.000720 -0.000802 0.000434 30O 1f-3 0.000334 -0.000430 -0.001028 0.000719 -0.000984 0.000182 31O 1s -0.000545 -0.002742 -0.009593 -0.007570 0.008218 0.000411 31O 2s -0.001301 -0.006573 -0.023005 -0.018139 0.019751 0.000941 31O 3s 0.001911 0.009859 0.034637 0.026962 -0.030423 -0.000339 31O 4s 0.002960 0.015959 0.055039 0.044347 -0.042871 -0.007232 31O 5s 0.003272 0.010873 0.047830 0.045281 -0.064427 0.003135 31O 1pz 0.081011 0.027695 -0.012673 -0.004483 0.009827 0.027172 31O 1px 0.020568 0.044417 0.124978 0.098898 -0.108527 -0.030448 31O 1py 0.056073 0.010546 -0.031003 -0.022986 0.017629 0.021029 31O 2pz 0.067695 0.024611 -0.008181 -0.001274 0.006000 0.021117 31O 2px 0.016941 0.035875 0.099799 0.079166 -0.087432 -0.023797 31O 2py 0.046917 0.008579 -0.028584 -0.022062 0.016996 0.019526 31O 3pz 0.036478 0.007254 -0.007482 0.003671 0.008314 0.010210 31O 3px 0.009290 0.021756 0.059908 0.036391 -0.044214 -0.012337 31O 3py 0.025170 0.004406 -0.010540 -0.014351 0.001630 0.012800 31O 1dz2 0.001437 0.000970 0.001077 0.000961 -0.001000 0.000137 31O 1dxz -0.001374 -0.000230 0.001323 0.001026 -0.001190 -0.000875 31O 1dyz -0.000129 -0.000288 -0.000591 -0.000428 0.000330 0.000145 31O 1dx2y2 0.000119 -0.000757 -0.002769 -0.002191 0.002258 0.001087 31O 1dxy -0.001332 -0.000638 -0.000346 -0.000418 0.000636 -0.000103 31O 2dz2 0.003714 0.002668 0.003547 0.002806 -0.003243 0.000008 31O 2dxz -0.004444 -0.001042 0.002581 0.001173 -0.002708 -0.001738 31O 2dyz -0.000374 -0.001011 -0.002865 -0.002613 0.002153 0.000059 31O 2dx2y2 -0.000035 -0.002789 -0.009273 -0.006964 0.008017 0.002516 31O 2dxy -0.003719 -0.001152 0.001333 0.001300 0.000091 -0.001913 31O 1f0 0.000230 0.000170 0.000416 0.000282 -0.000409 0.000027 31O 1f+1 -0.001030 -0.000493 -0.000427 -0.000393 0.000401 -0.000162 31O 1f-1 -0.001122 -0.000475 -0.000223 -0.000260 0.000261 -0.000225 31O 1f+2 0.000406 -0.000211 -0.001254 -0.000954 0.001133 0.000577 31O 1f-2 0.000054 -0.000047 -0.000173 -0.000044 0.000263 0.000104 31O 1f+3 0.000484 -0.000168 -0.000970 -0.000770 0.000796 0.000435 31O 1f-3 -0.000335 -0.000443 -0.000986 -0.000761 0.000986 0.000193 32O 1s -0.000014 -0.001476 -0.000966 0.000283 0.000094 0.000671 32O 2s -0.000025 -0.003555 -0.002327 0.000808 0.000221 0.001617 32O 3s -0.000053 0.005617 0.003664 -0.002981 -0.000268 -0.002491 32O 4s 0.000614 0.007399 0.004953 0.007102 -0.000825 -0.003275 32O 5s -0.001959 0.008611 0.005327 -0.025421 0.000094 -0.006627 32O 1pz -0.000104 0.009990 -0.018900 -0.004984 -0.004280 0.005088 32O 1px 0.000867 0.009029 -0.002448 0.006700 -0.002427 -0.001567 32O 1py -0.000633 -0.015736 -0.009053 -0.002099 0.001250 0.006760 32O 2pz -0.000037 0.007932 -0.015584 -0.004713 -0.003452 0.004116 32O 2px 0.000803 0.008137 -0.001512 0.007264 -0.002061 -0.001181 32O 2py -0.000627 -0.012584 -0.007148 -0.002375 0.001047 0.005611 32O 3pz 0.000223 0.003840 -0.006610 0.000861 -0.004375 0.002739 32O 3px 0.000232 0.001690 -0.001711 -0.006631 -0.001242 -0.000020 32O 3py -0.000602 -0.010338 -0.006808 -0.003664 0.000641 0.001528 32O 1dz2 0.000015 0.000208 -0.000272 -0.000065 -0.000041 0.000056 32O 1dxz 0.000008 -0.000276 0.000284 -0.000018 0.000053 -0.000039 32O 1dyz -0.000009 0.000249 -0.000404 -0.000092 -0.000066 0.000087 32O 1dx2y2 0.000015 0.000043 0.000196 0.000111 0.000002 -0.000086 32O 1dxy 0.000006 0.000189 -0.000109 0.000105 -0.000047 -0.000017 32O 2dz2 0.000156 0.000846 -0.000404 -0.000019 -0.000098 -0.000069 32O 2dxz 0.000024 -0.000499 0.000716 0.000379 0.000168 -0.000328 32O 2dyz -0.000053 0.000629 -0.001146 -0.000204 -0.000061 0.000418 32O 2dx2y2 0.000139 0.000417 0.000626 -0.000651 0.000140 -0.000292 32O 2dxy 0.000091 0.000431 -0.000332 0.000289 -0.000044 0.000110 32O 1f0 -0.000034 0.000034 -0.000128 -0.000115 -0.000041 0.000022 32O 1f+1 0.000034 0.000115 -0.000144 0.000040 -0.000040 0.000038 32O 1f-1 0.000000 -0.000016 -0.000127 -0.000097 -0.000030 0.000025 32O 1f+2 0.000010 -0.000010 0.000061 0.000081 0.000006 -0.000010 32O 1f-2 -0.000028 -0.000148 0.000127 -0.000016 0.000070 -0.000041 32O 1f+3 -0.000020 0.000108 -0.000007 0.000085 -0.000032 -0.000002 32O 1f-3 -0.000005 0.000111 -0.000026 0.000062 -0.000043 0.000006 33O 1s 0.000050 0.009760 -0.002795 -0.008719 -0.007742 0.000355 33O 2s 0.000134 0.023397 -0.006711 -0.020895 -0.018617 0.000852 33O 3s -0.000397 -0.035127 0.010227 0.031088 0.028823 -0.001438 33O 4s 0.000522 -0.056236 0.015614 0.050782 0.039613 -0.001185 33O 5s -0.000832 -0.051277 0.012556 0.055425 0.062423 -0.002566 33O 1pz 0.051358 -0.016430 -0.015828 0.005947 0.005055 -0.059467 33O 1px 0.031208 -0.122156 0.021959 0.101176 0.096520 -0.034073 33O 1py -0.081830 -0.046234 0.046310 0.047505 0.035152 0.100830 33O 2pz 0.042909 -0.016965 -0.012865 0.009134 0.006678 -0.049468 33O 2px 0.026024 -0.097150 0.016839 0.079756 0.077324 -0.028807 33O 2py -0.068466 -0.038450 0.039468 0.040413 0.029659 0.084518 33O 3pz 0.023819 -0.006252 -0.006415 0.006391 -0.004638 -0.026506 33O 3px 0.013944 -0.055866 0.012819 0.035297 0.040825 -0.017173 33O 3py -0.036287 -0.022179 0.017092 0.020746 0.010176 0.048679 33O 1dz2 0.001010 -0.001914 0.000048 0.001432 0.001319 -0.001555 33O 1dxz -0.000652 -0.000774 0.000497 0.000940 0.000927 0.000649 33O 1dyz -0.001017 -0.000681 0.000687 0.000673 0.000503 0.001573 33O 1dx2y2 -0.000707 0.002338 -0.000353 -0.002000 -0.001845 0.000490 33O 1dxy 0.001665 0.001053 -0.001077 -0.001044 -0.000736 -0.002185 33O 2dz2 0.002681 -0.006802 0.000680 0.005335 0.005057 -0.003777 33O 2dxz -0.002377 0.000136 0.001113 -0.000322 0.001331 0.002565 33O 2dyz -0.002753 -0.002656 0.002013 0.002657 0.002299 0.003755 33O 2dx2y2 -0.002420 0.006843 -0.001031 -0.004932 -0.005906 0.002687 33O 2dxy 0.004934 0.004773 -0.003533 -0.004543 -0.003430 -0.006712 33O 1f0 0.000799 -0.000935 -0.000016 0.000685 0.000806 -0.000965 33O 1f+1 -0.000828 0.000768 0.000090 -0.000597 -0.000527 0.001065 33O 1f-1 -0.000134 -0.000426 0.000152 0.000382 0.000373 0.000264 33O 1f+2 0.000311 0.001007 -0.000432 -0.000839 -0.000961 -0.000385 33O 1f-2 0.001031 0.000475 -0.000535 -0.000547 -0.000388 -0.001374 33O 1f+3 -0.000102 0.001008 -0.000199 -0.000801 -0.000853 0.000074 33O 1f-3 0.000771 0.000372 -0.000415 -0.000391 -0.000276 -0.001061 34O 1s -0.000142 -0.002847 -0.009803 -0.008303 0.008511 0.000415 34O 2s -0.000356 -0.006827 -0.023491 -0.019880 0.020442 0.000946 34O 3s 0.000787 0.010261 0.035175 0.029397 -0.031345 -0.000332 34O 4s -0.000442 0.016026 0.056439 0.048395 -0.044549 -0.007081 34O 5s 0.001156 0.018302 0.052540 0.056090 -0.068134 0.001783 34O 1pz 0.084040 0.048768 0.057442 0.049090 -0.051760 0.006400 34O 1px 0.015739 -0.022846 -0.095594 -0.078012 0.086275 0.031946 34O 1py 0.052099 -0.000892 -0.069449 -0.050356 0.051097 0.032141 34O 2pz 0.070460 0.041131 0.046613 0.040554 -0.042741 0.005489 34O 2px 0.012612 -0.017228 -0.074005 -0.059087 0.067353 0.024121 34O 2py 0.044122 -0.000157 -0.058475 -0.043319 0.043534 0.028011 34O 3pz 0.038140 0.019519 0.027903 0.018944 -0.018263 0.001598 34O 3px 0.007685 -0.009028 -0.044055 -0.023137 0.038295 0.010772 34O 3py 0.022400 -0.004833 -0.032075 -0.023324 0.015772 0.017758 34O 1dz2 -0.000586 -0.000001 0.000742 0.000677 -0.000766 -0.000320 34O 1dxz 0.001881 0.001334 0.001674 0.001433 -0.001478 -0.000041 34O 1dyz -0.000254 -0.000099 0.000123 0.000106 -0.000047 -0.000054 34O 1dx2y2 0.000446 -0.000450 -0.002132 -0.001840 0.001999 0.001007 34O 1dxy 0.001174 0.000004 -0.001746 -0.001172 0.001140 0.000931 34O 2dz2 -0.002158 -0.000631 0.001023 0.000297 -0.001266 -0.000917 34O 2dxz 0.005460 0.004136 0.006174 0.004983 -0.005646 -0.000035 34O 2dyz -0.000627 0.000048 0.000924 0.000469 -0.000333 -0.001281 34O 2dx2y2 0.000851 -0.000712 -0.004296 -0.002639 0.004718 0.001180 34O 2dxy 0.003815 -0.000815 -0.007813 -0.006138 0.005887 0.003143 34O 1f0 -0.000834 -0.000512 -0.000755 -0.000603 0.000732 0.000063 34O 1f+1 -0.000089 0.000085 0.000564 0.000379 -0.000565 -0.000162 34O 1f-1 -0.000458 -0.000112 0.000276 0.000210 -0.000192 -0.000185 34O 1f+2 0.000935 0.000566 0.000753 0.000634 -0.000718 0.000111 34O 1f-2 -0.000651 -0.000296 -0.000237 -0.000215 0.000285 -0.000071 34O 1f+3 -0.000618 0.000237 0.001407 0.001031 -0.001330 -0.000651 34O 1f-3 -0.000617 0.000026 0.000822 0.000644 -0.000610 -0.000473 35O 1s -0.000268 0.009763 -0.002806 -0.008549 -0.007804 0.000357 35O 2s -0.000630 0.023427 -0.006731 -0.020498 -0.018768 0.000854 35O 3s 0.000737 -0.035490 0.010164 0.030685 0.029100 -0.001318 35O 4s 0.002546 -0.055069 0.015837 0.049075 0.039832 -0.002141 35O 5s 0.000132 -0.049490 0.017441 0.051022 0.061622 -0.001515 35O 1pz 0.049651 -0.087218 0.004553 0.068170 0.062303 -0.056989 35O 1px 0.028755 0.101112 -0.041190 -0.089661 -0.084664 -0.039316 35O 1py -0.083299 -0.005265 0.034250 0.012603 0.002017 0.098856 35O 2pz 0.041743 -0.072867 0.003139 0.057314 0.052223 -0.048059 35O 2px 0.024559 0.078903 -0.033078 -0.070020 -0.066982 -0.033228 35O 2py -0.069787 -0.006138 0.030105 0.012717 0.003217 0.083367 35O 3pz 0.021474 -0.038981 0.005569 0.032639 0.020685 -0.024804 35O 3px 0.012828 0.049214 -0.015450 -0.028976 -0.037783 -0.017174 35O 3py -0.037106 -0.002553 0.012944 0.010174 -0.003463 0.048125 35O 1dz2 -0.000234 -0.000965 0.000370 0.000933 0.000920 -0.000032 35O 1dxz 0.001065 -0.002272 0.000128 0.001723 0.001523 -0.001419 35O 1dyz 0.000510 -0.000873 0.000026 0.000644 0.000595 -0.000369 35O 1dx2y2 0.001253 0.002102 -0.001233 -0.002045 -0.001790 -0.001979 35O 1dxy -0.001689 0.000272 0.000666 -0.000166 -0.000401 0.002034 35O 2dz2 -0.000997 -0.001536 0.000743 0.001112 0.002171 0.000852 35O 2dxz 0.002977 -0.009049 0.001258 0.007154 0.006535 -0.003740 35O 2dyz 0.001929 -0.002573 -0.000072 0.002083 0.002205 -0.002277 35O 2dx2y2 0.003450 0.005841 -0.003158 -0.004842 -0.005386 -0.005036 35O 2dxy -0.004969 -0.000997 0.002543 0.001770 0.000058 0.006484 35O 1f0 -0.000205 0.000782 -0.000166 -0.000665 -0.000613 0.000327 35O 1f+1 0.000169 -0.000934 0.000232 0.000761 0.000865 -0.000176 35O 1f-1 0.000471 -0.000301 -0.000081 0.000184 0.000292 -0.000582 35O 1f+2 0.000756 -0.000729 -0.000080 0.000542 0.000522 -0.000926 35O 1f-2 0.000360 -0.000828 0.000058 0.000690 0.000656 -0.000396 35O 1f+3 -0.001246 -0.001036 0.000756 0.000975 0.000904 0.001702 35O 1f-3 0.000438 -0.000582 -0.000036 0.000378 0.000581 -0.000566 84 85 86 87 88 89 -0.44278 -0.43517 -0.40395 -0.40082 -0.38763 -0.38695 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s 0.000010 0.000060 0.001963 -0.001037 -0.000829 -0.000222 0Rh 2s -0.000039 -0.000244 -0.007476 0.003755 0.003138 0.000849 0Rh 3s 0.000033 0.000195 0.006721 -0.003671 -0.002848 -0.000757 0Rh 4s 0.000163 0.001041 0.031653 -0.015780 -0.013297 -0.003598 0Rh 5s -0.000121 -0.000934 -0.023925 0.010252 0.010328 0.002795 0Rh 6s -0.000280 -0.001111 -0.050097 0.031180 0.020346 0.005449 0Rh 7s 0.000964 0.000204 0.052430 -0.041597 -0.023142 -0.005280 0Rh 8s 0.000320 -0.000584 0.027173 -0.052319 -0.021121 -0.007853 0Rh 1pz -0.001524 0.000056 0.000898 -0.001932 0.000013 -0.000079 0Rh 1px -0.000389 -0.000123 -0.002836 0.006178 0.000706 0.000231 0Rh 1py -0.000841 -0.000012 -0.000650 0.001804 0.000031 -0.000177 0Rh 2pz 0.005134 -0.000190 -0.003030 0.006535 -0.000056 0.000263 0Rh 2px 0.001307 0.000415 0.009564 -0.020896 -0.002357 -0.000772 0Rh 2py 0.002835 0.000041 0.002171 -0.006071 -0.000102 0.000601 0Rh 3pz -0.003859 0.000144 0.002360 -0.005328 0.000245 -0.000138 0Rh 3px -0.000958 -0.000314 -0.007301 0.016908 0.001317 0.000469 0Rh 3py -0.002177 -0.000041 -0.001312 0.004368 0.000007 -0.000537 0Rh 4pz -0.007131 0.000267 0.004098 -0.007991 -0.000592 -0.000590 0Rh 4px -0.001905 -0.000591 -0.013450 0.025994 0.004919 0.001479 0Rh 4py -0.003823 -0.000026 -0.004202 0.009408 0.000393 -0.000569 0Rh 5pz -0.000203 -0.000025 -0.000312 -0.000337 0.000773 0.000371 0Rh 5px 0.000143 0.000121 0.001824 0.000447 -0.002250 -0.000605 0Rh 5py -0.000074 -0.000077 0.002370 -0.002548 -0.000390 -0.000337 0Rh 6pz 0.016710 0.000227 -0.007658 0.002551 0.002893 -0.000609 0Rh 6px 0.002643 -0.000804 0.019053 -0.004251 -0.003229 0.000524 0Rh 6py 0.005216 0.002319 -0.010647 0.006117 0.001013 -0.000330 0Rh 1dz2 0.001097 -0.000082 0.011473 -0.006495 0.004112 -0.003801 0Rh 1dxz -0.002135 -0.000214 0.014427 -0.008144 0.003605 0.001943 0Rh 1dyz 0.000230 0.000000 0.005024 -0.003429 0.004928 -0.012963 0Rh 1dx2y2 -0.000395 0.000537 -0.022964 0.013563 -0.005558 -0.003122 0Rh 1dxy -0.001664 0.000202 -0.016274 0.010581 -0.002331 -0.006258 0Rh 2dz2 -0.000039 0.000005 -0.000309 0.000142 -0.000077 0.000057 0Rh 2dxz 0.000077 0.000009 -0.000374 0.000139 -0.000078 -0.000040 0Rh 2dyz -0.000005 -0.000000 -0.000131 0.000094 -0.000101 0.000255 0Rh 2dx2y2 0.000017 -0.000018 0.000561 -0.000211 0.000105 0.000057 0Rh 2dxy 0.000063 -0.000005 0.000454 -0.000295 0.000066 0.000133 0Rh 3dz2 -0.001522 0.000103 -0.016302 0.009338 -0.005952 0.005560 0Rh 3dxz 0.002966 0.000287 -0.020579 0.011871 -0.005184 -0.002818 0Rh 3dyz -0.000330 0.000002 -0.007186 0.004890 -0.007130 0.018783 0Rh 3dx2y2 0.000540 -0.000744 0.032926 -0.019887 0.008052 0.004530 0Rh 3dxy 0.002294 -0.000286 0.023165 -0.015070 0.003320 0.009038 0Rh 4dz2 -0.002214 0.000190 -0.022205 0.012103 -0.007716 0.007184 0Rh 4dxz 0.004323 0.000459 -0.027774 0.014767 -0.006827 -0.003681 0Rh 4dyz -0.000432 -0.000012 -0.009730 0.006668 -0.009424 0.024865 0Rh 4dx2y2 0.000833 -0.001104 0.044112 -0.024580 0.010432 0.005903 0Rh 4dxy 0.003422 -0.000396 0.031649 -0.020475 0.004513 0.012071 0Rh 5dz2 -0.002045 -0.000013 -0.016807 0.013203 -0.008232 0.006473 0Rh 5dxz 0.003676 0.000106 -0.021089 0.017771 -0.007175 -0.003488 0Rh 5dyz -0.000404 0.000089 -0.007232 0.005330 -0.008572 0.021330 0Rh 5dx2y2 0.000583 -0.000459 0.033617 -0.028905 0.011347 0.005808 0Rh 5dxy 0.002397 -0.000240 0.024277 -0.017689 0.004050 0.010090 0Rh 1f0 0.000958 -0.000001 0.000227 -0.000881 0.000671 -0.000150 0Rh 1f+1 0.001150 -0.000007 -0.000595 0.000907 -0.000698 0.000328 0Rh 1f-1 -0.002523 0.000053 -0.000673 0.000399 -0.000056 -0.000517 0Rh 1f+2 0.000732 0.000035 -0.000636 0.001137 -0.000601 -0.000512 0Rh 1f-2 -0.000774 -0.000013 -0.001122 0.001056 -0.000716 0.000998 0Rh 1f+3 -0.000745 0.000026 -0.000322 0.001136 -0.000848 -0.000385 0Rh 1f-3 0.000947 0.000024 -0.001621 0.001808 -0.000566 -0.000774 1Rh 1s -0.000012 0.000060 0.001936 0.001087 0.000822 0.000234 1Rh 2s 0.000045 -0.000244 -0.007379 -0.003945 -0.003112 -0.000896 1Rh 3s -0.000040 0.000195 0.006626 0.003842 0.002824 0.000798 1Rh 4s -0.000188 0.001040 0.031242 0.016584 0.013189 0.003793 1Rh 5s 0.000136 -0.000933 -0.023656 -0.010856 -0.010250 -0.002941 1Rh 6s 0.000338 -0.001111 -0.049297 -0.032465 -0.020166 -0.005766 1Rh 7s -0.001084 0.000188 0.051394 0.043008 0.022935 0.005632 1Rh 8s -0.000192 -0.000522 0.025781 0.052950 0.021170 0.007871 1Rh 1pz -0.001526 -0.000051 -0.000864 -0.001961 0.000130 -0.000120 1Rh 1px -0.000382 0.000122 0.002673 0.006242 0.000731 0.000252 1Rh 1py -0.000843 0.000033 0.000607 0.001826 0.000057 -0.000264 1Rh 2pz 0.005141 0.000172 0.002916 0.006635 -0.000450 0.000401 1Rh 2px 0.001285 -0.000411 -0.009013 -0.021111 -0.002439 -0.000843 1Rh 2py 0.002843 -0.000110 -0.002026 -0.006144 -0.000187 0.000896 1Rh 3pz -0.003865 -0.000127 -0.002254 -0.005398 0.000562 -0.000249 1Rh 3px -0.000941 0.000312 0.006859 0.017074 0.001386 0.000524 1Rh 3py -0.002184 0.000093 0.001208 0.004416 0.000074 -0.000776 1Rh 4pz -0.007137 -0.000250 -0.004005 -0.008156 -0.000082 -0.000767 1Rh 4px -0.001873 0.000584 0.012752 0.026291 0.005015 0.001577 1Rh 4py -0.003831 0.000123 0.003975 0.009539 0.000509 -0.000943 1Rh 5pz -0.000209 0.000027 0.000382 -0.000280 0.000733 0.000387 1Rh 5px 0.000138 -0.000121 -0.001818 0.000416 -0.002240 -0.000624 1Rh 5py -0.000078 0.000069 -0.002300 -0.002607 -0.000409 -0.000318 1Rh 6pz 0.016731 -0.000078 0.007389 0.002432 0.002414 -0.000427 1Rh 6px 0.002621 0.000873 -0.019020 -0.004874 -0.003358 0.000499 1Rh 6py 0.005263 -0.002410 0.010423 0.006370 0.000923 0.000007 1Rh 1dz2 -0.001140 -0.000081 0.011241 0.006690 -0.004002 0.003812 1Rh 1dxz 0.002107 -0.000226 0.014331 0.008703 -0.004051 -0.001705 1Rh 1dyz -0.000151 0.000008 0.004968 0.003603 -0.004972 0.012954 1Rh 1dx2y2 0.000337 0.000527 -0.022563 -0.014091 0.005542 0.002876 1Rh 1dxy 0.001667 0.000196 -0.016022 -0.011028 0.002268 0.006415 1Rh 2dz2 0.000040 0.000005 -0.000303 -0.000147 0.000073 -0.000057 1Rh 2dxz -0.000077 0.000010 -0.000375 -0.000154 0.000091 0.000033 1Rh 2dyz 0.000003 -0.000000 -0.000131 -0.000099 0.000103 -0.000255 1Rh 2dx2y2 -0.000015 -0.000017 0.000554 0.000224 -0.000105 -0.000050 1Rh 2dxy -0.000063 -0.000005 0.000446 0.000306 -0.000063 -0.000138 1Rh 3dz2 0.001585 0.000102 -0.015970 -0.009613 0.005795 -0.005575 1Rh 3dxz -0.002925 0.000304 -0.020434 -0.012671 0.005823 0.002477 1Rh 3dyz 0.000217 -0.000009 -0.007103 -0.005136 0.007191 -0.018772 1Rh 3dx2y2 -0.000455 -0.000729 0.032344 0.020646 -0.008028 -0.004181 1Rh 3dxy -0.002296 -0.000278 0.022810 0.015711 -0.003230 -0.009260 1Rh 4dz2 0.002295 0.000188 -0.021763 -0.012484 0.007502 -0.007205 1Rh 4dxz -0.004269 0.000485 -0.027624 -0.015847 0.007696 0.003215 1Rh 4dyz 0.000274 -0.000026 -0.009633 -0.007016 0.009518 -0.024849 1Rh 4dx2y2 -0.000722 -0.001085 0.043372 0.025593 -0.010402 -0.005423 1Rh 4dxy -0.003430 -0.000381 0.031151 0.021330 -0.004386 -0.012381 1Rh 5dz2 0.002122 -0.000016 -0.016384 -0.013462 0.008045 -0.006474 1Rh 5dxz -0.003636 0.000110 -0.020779 -0.018603 0.007843 0.003150 1Rh 5dyz 0.000304 0.000064 -0.007115 -0.005550 0.008609 -0.021302 1Rh 5dx2y2 -0.000475 -0.000442 0.032818 0.029669 -0.011298 -0.005470 1Rh 5dxy -0.002384 -0.000234 0.023884 0.018403 -0.003964 -0.010336 1Rh 1f0 0.000964 0.000016 -0.000209 -0.000891 0.000677 -0.000141 1Rh 1f+1 0.001146 0.000012 0.000553 0.000898 -0.000706 0.000336 1Rh 1f-1 -0.002511 -0.000056 0.000659 0.000405 -0.000084 -0.000485 1Rh 1f+2 0.000736 -0.000019 0.000620 0.001178 -0.000574 -0.000514 1Rh 1f-2 -0.000788 0.000016 0.001102 0.001095 -0.000721 0.001020 1Rh 1f+3 -0.000747 -0.000028 0.000280 0.001125 -0.000861 -0.000387 1Rh 1f-3 0.000956 -0.000030 0.001576 0.001852 -0.000573 -0.000759 2C 1s -0.002746 0.000385 0.000063 -0.000047 0.000547 -0.000304 2C 2s -0.005869 0.000826 0.000133 -0.000079 0.001182 -0.000659 2C 3s 0.010725 -0.001574 -0.000187 0.000487 -0.001635 0.000770 2C 4s 0.003924 -0.001161 -0.000945 -0.002563 -0.004835 0.003532 2C 5s 0.010860 -0.000618 0.004570 0.001837 -0.014958 0.007740 2C 1pz -0.023003 -0.049751 0.009993 0.002016 0.064266 -0.035383 2C 1px 0.000783 -0.032188 -0.022001 -0.023721 -0.176903 0.102685 2C 1py -0.050385 0.091595 -0.004963 -0.003198 -0.029912 0.015899 2C 2pz -0.022540 -0.038990 0.008239 -0.001084 0.048533 -0.026391 2C 2px -0.000212 -0.024967 -0.017212 -0.018192 -0.138873 0.080939 2C 2py -0.042624 0.072437 -0.003570 -0.003800 -0.024375 0.013383 2C 3pz -0.007328 -0.017970 0.002033 0.003147 0.018658 -0.009987 2C 3px -0.001228 -0.011336 -0.004339 -0.011561 -0.062966 0.036456 2C 3py -0.016334 0.030359 -0.002324 -0.002715 -0.013247 0.007285 2C 1dz2 -0.001283 -0.000584 0.000071 -0.000224 -0.000645 0.000401 2C 1dxz -0.001282 0.002179 0.000500 0.000646 0.005572 -0.003287 2C 1dyz -0.002483 0.000597 -0.000375 -0.000677 -0.003668 0.002163 2C 1dx2y2 0.000713 0.000106 -0.000831 -0.000604 -0.006098 0.003482 2C 1dxy 0.000487 -0.003382 0.000313 0.000117 0.002904 -0.001616 2C 2dz2 -0.001446 -0.003049 -0.000135 -0.000594 -0.002371 0.001398 2C 2dxz -0.000937 -0.000242 0.000621 -0.000218 0.005192 -0.002958 2C 2dyz -0.004873 0.002452 -0.000282 -0.001180 -0.002911 0.001943 2C 2dx2y2 0.001814 -0.001690 -0.000384 0.000193 -0.002898 0.001656 2C 2dxy -0.000258 -0.002299 0.000511 -0.000285 0.003324 -0.001812 2C 1f0 0.000226 -0.000769 -0.000010 -0.000053 -0.000734 0.000434 2C 1f+1 -0.000074 -0.000614 -0.000073 -0.000082 0.000043 -0.000021 2C 1f-1 -0.000550 -0.000061 0.000090 -0.000114 0.000179 -0.000075 2C 1f+2 0.000476 -0.000852 0.000055 0.000070 0.000541 -0.000331 2C 1f-2 -0.000018 0.000002 -0.000035 -0.000041 0.000515 -0.000304 2C 1f+3 -0.000400 0.000282 0.000001 -0.000045 0.000046 -0.000027 2C 1f-3 -0.000270 0.000282 -0.000053 -0.000051 -0.000580 0.000347 3C 1s 0.000144 0.000662 -0.000102 0.000222 0.000231 0.000426 3C 2s 0.000319 0.001419 -0.000211 0.000462 0.000507 0.000928 3C 3s 0.000081 -0.002035 0.000225 -0.001092 -0.000685 -0.001313 3C 4s -0.004676 -0.004734 0.000172 0.001798 -0.001753 -0.002669 3C 5s -0.006197 -0.008822 0.001734 -0.013053 -0.007935 -0.012101 3C 1pz 0.104642 0.094476 -0.007993 0.011441 0.034537 0.059540 3C 1px 0.019926 0.020509 0.027620 -0.016629 -0.098928 -0.177237 3C 1py 0.073204 0.053683 0.007024 -0.007688 -0.019261 -0.037348 3C 2pz 0.081548 0.073832 -0.006332 0.010138 0.026794 0.047142 3C 2px 0.015480 0.016356 0.021617 -0.011279 -0.077739 -0.139290 3C 2py 0.060314 0.043245 0.005658 -0.008581 -0.014678 -0.029463 3C 3pz 0.033655 0.030764 -0.003191 0.003542 0.011159 0.019388 3C 3px 0.004848 0.005488 0.006968 -0.012035 -0.036520 -0.065628 3C 3py 0.026837 0.020995 0.001797 -0.000980 -0.005546 -0.011328 3C 1dz2 0.003634 0.002801 0.000127 -0.000104 -0.000599 -0.001156 3C 1dxz -0.000830 -0.000673 -0.001141 0.000883 0.004494 0.008156 3C 1dyz 0.002004 0.001443 -0.000511 0.000200 0.002527 0.004397 3C 1dx2y2 -0.001706 -0.002032 0.000092 -0.000267 -0.000042 0.000014 3C 1dxy -0.001735 -0.001836 -0.000055 -0.000340 -0.000745 -0.001359 3C 2dz2 0.005929 0.004165 0.000257 -0.000474 -0.001178 -0.002027 3C 2dxz 0.000707 0.000701 -0.000882 0.000597 0.003786 0.007017 3C 2dyz -0.000158 -0.000918 -0.000397 -0.001216 0.002547 0.003966 3C 2dx2y2 0.002075 0.000988 0.000067 -0.000889 0.000491 0.000691 3C 2dxy -0.000558 -0.000923 0.000529 -0.000630 -0.001729 -0.003133 3C 1f0 -0.000112 -0.000199 -0.000011 -0.000141 -0.000081 -0.000166 3C 1f+1 0.000493 0.000367 0.000090 -0.000037 -0.000412 -0.000723 3C 1f-1 -0.001315 -0.001005 0.000044 -0.000075 0.000054 0.000050 3C 1f+2 0.000115 0.000063 0.000071 -0.000052 0.000086 0.000158 3C 1f-2 -0.000517 -0.000438 -0.000119 -0.000041 0.000107 0.000148 3C 1f+3 -0.000726 -0.000457 -0.000038 0.000124 0.000337 0.000650 3C 1f-3 0.000843 0.000563 -0.000010 -0.000048 0.000556 0.001009 4C 1s 0.002491 -0.000093 -0.000613 -0.001293 0.000339 0.000016 4C 2s 0.005552 -0.000226 -0.001339 -0.002800 0.000739 0.000030 4C 3s -0.012494 0.000930 0.003370 0.005020 -0.000456 -0.000280 4C 4s 0.005503 -0.001540 -0.004607 0.006259 -0.005864 0.000565 4C 5s -0.014318 0.005723 -0.017484 0.004290 0.013259 -0.008046 4C 1pz 0.062525 -0.058089 0.001264 0.007083 -0.019204 0.009855 4C 1px 0.020210 -0.035151 -0.001784 0.003048 0.044803 -0.026134 4C 1py -0.000041 0.090927 -0.000804 0.006382 0.005589 -0.004218 4C 2pz 0.043889 -0.048677 -0.000575 0.000965 -0.012802 0.005675 4C 2px 0.015603 -0.029664 -0.002320 0.003599 0.019567 -0.008626 4C 2py -0.005923 0.078236 -0.002134 0.003234 -0.000075 -0.000067 4C 3pz 0.003744 -0.010391 -0.002792 -0.000287 -0.010597 0.005293 4C 3px 0.002928 -0.004337 -0.007062 0.014156 0.004919 -0.001510 4C 3py -0.004733 0.013153 -0.004322 0.008408 -0.004837 0.002553 4C 1dz2 -0.000150 -0.000470 -0.000420 -0.000494 -0.004301 0.002312 4C 1dxz -0.000468 -0.000060 0.001035 0.001248 0.007731 -0.004266 4C 1dyz -0.000241 0.000264 0.000061 -0.000063 -0.000319 0.000221 4C 1dx2y2 0.001109 -0.000432 -0.000256 0.000087 0.000086 -0.000053 4C 1dxy 0.000425 -0.000200 0.000896 0.000738 0.005725 -0.003203 4C 2dz2 0.002175 0.000390 -0.000743 -0.000644 -0.004662 0.001718 4C 2dxz 0.000190 0.000640 0.003435 0.004373 0.010720 -0.005348 4C 2dyz 0.003844 -0.000467 -0.000043 0.001357 -0.000543 0.000120 4C 2dx2y2 0.000459 0.000436 -0.001368 -0.001291 -0.002016 0.001273 4C 2dxy 0.001885 -0.001118 0.000130 0.002453 0.006948 -0.003458 4C 1f0 -0.000122 -0.001069 0.000070 -0.000071 0.001469 -0.000865 4C 1f+1 -0.001110 0.000339 0.000218 -0.000089 -0.001204 0.000817 4C 1f-1 0.000326 -0.000287 0.000135 -0.000069 0.000484 -0.000300 4C 1f+2 0.001197 -0.001817 -0.000130 -0.000078 -0.001166 0.000648 4C 1f-2 0.000681 -0.001706 0.000002 0.000064 -0.001586 0.000998 4C 1f+3 -0.000450 0.001861 -0.000044 -0.000117 -0.001578 0.000902 4C 1f-3 -0.000470 -0.001180 0.000182 -0.000181 -0.000372 0.000174 5C 1s 0.000565 -0.000116 -0.000583 0.001609 -0.000341 -0.000110 5C 2s 0.001263 -0.000249 -0.001276 0.003491 -0.000727 -0.000220 5C 3s -0.002747 0.000540 0.004229 -0.005885 0.000857 0.000103 5C 4s 0.000957 0.000040 -0.011015 -0.010201 0.004033 0.001644 5C 5s 0.006885 0.008287 -0.022735 0.002636 0.007783 0.011150 5C 1pz 0.130363 0.090929 0.000856 -0.005800 -0.008058 -0.015989 5C 1px 0.027302 0.016610 0.004214 -0.002708 0.025451 0.044685 5C 1py 0.079676 0.068954 -0.001463 0.011543 0.003944 0.009651 5C 2pz 0.109161 0.078160 -0.002044 -0.003649 -0.003736 -0.006110 5C 2px 0.021279 0.013290 0.003252 0.004821 0.012264 0.016396 5C 2py 0.070051 0.058793 0.002985 0.006360 0.001937 0.003862 5C 3pz 0.018569 0.010440 -0.005354 -0.010892 -0.002912 -0.005077 5C 3px 0.003272 0.000340 0.003814 0.012175 0.003673 0.005099 5C 3py 0.018930 0.015697 0.008072 0.016112 0.002905 0.006393 5C 1dz2 0.001364 0.000675 0.000365 -0.000485 -0.001510 -0.002622 5C 1dxz 0.000502 0.000288 -0.000431 0.000550 0.002319 0.004090 5C 1dyz -0.000606 -0.000200 -0.000567 0.000529 0.001999 0.003423 5C 1dx2y2 0.000935 0.000156 -0.000872 0.000644 0.002413 0.004168 5C 1dxy 0.000094 -0.000041 0.001148 -0.000955 -0.004206 -0.007137 5C 2dz2 0.001685 0.000671 0.002505 -0.001371 -0.002526 -0.003359 5C 2dxz 0.000210 -0.000386 -0.000191 0.001176 0.003656 0.005960 5C 2dyz -0.001065 0.000790 -0.000352 0.003369 0.002850 0.004544 5C 2dx2y2 -0.001109 -0.001755 -0.003780 0.004009 0.002657 0.004734 5C 2dxy -0.001375 -0.000924 0.000820 -0.002532 -0.005637 -0.007876 5C 1f0 -0.001160 -0.000705 0.000153 0.000181 0.000399 0.000649 5C 1f+1 -0.001788 -0.001065 0.000129 -0.000058 -0.000281 -0.000438 5C 1f-1 -0.003274 -0.002535 -0.000018 0.000023 -0.000431 -0.000819 5C 1f+2 0.002400 0.001759 -0.000075 -0.000092 -0.001047 -0.001914 5C 1f-2 -0.001093 -0.000966 -0.000289 -0.000367 0.000312 0.000642 5C 1f+3 -0.000481 -0.000276 0.000220 -0.000006 -0.001011 -0.001814 5C 1f-3 -0.000860 -0.000711 -0.000284 -0.000091 -0.000765 -0.001619 6C 1s -0.000574 -0.000127 -0.000575 -0.001619 0.000342 0.000107 6C 2s -0.001285 -0.000273 -0.001258 -0.003514 0.000728 0.000213 6C 3s 0.002841 0.000582 0.004157 0.006068 -0.000868 -0.000112 6C 4s -0.001134 0.000035 -0.010819 0.009318 -0.004036 -0.001568 6C 5s -0.007030 0.008203 -0.022612 -0.003621 -0.007616 -0.010897 6C 1pz 0.130515 -0.090761 -0.000869 -0.005831 -0.007766 -0.015637 6C 1px 0.027258 -0.016586 -0.004216 -0.002805 0.024640 0.043710 6C 1py 0.080371 -0.069072 0.001378 0.011610 0.003779 0.009518 6C 2pz 0.109400 -0.078071 0.001940 -0.003468 -0.003602 -0.005970 6C 2px 0.021306 -0.013291 -0.003152 0.004663 0.011828 0.015936 6C 2py 0.070449 -0.058804 -0.002977 0.006134 0.001867 0.003857 6C 3pz 0.018549 -0.010495 0.005322 -0.010394 -0.002962 -0.005008 6C 3px 0.003231 -0.000354 -0.004024 0.012101 0.003613 0.005105 6C 3py 0.019151 -0.015573 -0.008185 0.015381 0.002996 0.006267 6C 1dz2 -0.001369 0.000677 0.000350 0.000511 0.001450 0.002572 6C 1dxz -0.000500 0.000289 -0.000421 -0.000582 -0.002240 -0.004022 6C 1dyz 0.000609 -0.000203 -0.000556 -0.000558 -0.001939 -0.003360 6C 1dx2y2 -0.000942 0.000151 -0.000860 -0.000686 -0.002343 -0.004084 6C 1dxy -0.000094 -0.000045 0.001131 0.001016 0.004095 0.006999 6C 2dz2 -0.001690 0.000683 0.002470 0.001494 0.002406 0.003252 6C 2dxz -0.000156 -0.000431 -0.000189 -0.001119 -0.003544 -0.005868 6C 2dyz 0.001056 0.000812 -0.000339 -0.003375 -0.002750 -0.004456 6C 2dx2y2 0.001052 -0.001714 -0.003716 -0.004224 -0.002541 -0.004610 6C 2dxy 0.001355 -0.000902 0.000801 0.002568 0.005509 0.007739 6C 1f0 -0.001160 0.000702 -0.000150 0.000169 0.000387 0.000631 6C 1f+1 -0.001793 0.001063 -0.000128 -0.000069 -0.000275 -0.000426 6C 1f-1 -0.003284 0.002533 0.000020 0.000021 -0.000421 -0.000805 6C 1f+2 0.002412 -0.001760 0.000073 -0.000091 -0.001021 -0.001882 6C 1f-2 -0.001101 0.000970 0.000285 -0.000347 0.000310 0.000633 6C 1f+3 -0.000486 0.000277 -0.000218 -0.000021 -0.000982 -0.001787 6C 1f-3 -0.000865 0.000715 0.000278 -0.000072 -0.000748 -0.001597 7C 1s -0.002479 -0.000092 -0.000681 0.001272 -0.000339 -0.000017 7C 2s -0.005527 -0.000224 -0.001486 0.002754 -0.000738 -0.000032 7C 3s 0.012435 0.000922 0.003600 -0.004995 0.000494 0.000266 7C 4s -0.005523 -0.001589 -0.004083 -0.005838 0.005714 -0.000520 7C 5s 0.014432 0.005459 -0.017315 -0.004389 -0.013153 0.007794 7C 1pz 0.063106 0.058654 -0.001715 0.007015 -0.018427 0.009271 7C 1px 0.020360 0.035405 0.001686 0.003018 0.042827 -0.024686 7C 1py 0.000336 -0.091774 0.000509 0.006385 0.005146 -0.003926 7C 2pz 0.044244 0.049133 0.000467 0.000854 -0.012174 0.005225 7C 2px 0.015707 0.029884 0.001960 0.003493 0.018602 -0.007900 7C 2py -0.005725 -0.078954 0.001937 0.003160 -0.000206 0.000030 7C 3pz 0.004127 0.010405 0.002493 -0.000721 -0.010171 0.005105 7C 3px 0.003055 0.004371 0.006384 0.014012 0.005014 -0.001512 7C 3py -0.004516 -0.013387 0.003915 0.008096 -0.004683 0.002470 7C 1dz2 0.000144 -0.000480 -0.000430 0.000498 0.004106 -0.002187 7C 1dxz 0.000463 -0.000065 0.001061 -0.001252 -0.007421 0.004051 7C 1dyz 0.000237 0.000267 0.000061 0.000066 0.000320 -0.000212 7C 1dx2y2 -0.001105 -0.000426 -0.000258 -0.000093 -0.000069 0.000046 7C 1dxy -0.000425 -0.000195 0.000913 -0.000733 -0.005508 0.003040 7C 2dz2 -0.002207 0.000347 -0.000755 0.000608 0.004468 -0.001601 7C 2dxz -0.000207 0.000618 0.003598 -0.004391 -0.010274 0.005044 7C 2dyz -0.003877 -0.000457 0.000027 -0.001350 0.000557 -0.000114 7C 2dx2y2 -0.000428 0.000486 -0.001400 0.001366 0.001901 -0.001213 7C 2dxy -0.001892 -0.001129 0.000238 -0.002437 -0.006630 0.003219 7C 1f0 -0.000127 0.001074 -0.000067 -0.000067 0.001418 -0.000829 7C 1f+1 -0.001120 -0.000347 -0.000209 -0.000082 -0.001174 0.000788 7C 1f-1 0.000334 0.000309 -0.000130 -0.000070 0.000476 -0.000295 7C 1f+2 0.001201 0.001836 0.000131 -0.000082 -0.001121 0.000614 7C 1f-2 0.000684 0.001727 -0.000008 0.000063 -0.001532 0.000962 7C 1f+3 -0.000451 -0.001878 0.000050 -0.000115 -0.001521 0.000862 7C 1f-3 -0.000477 0.001186 -0.000166 -0.000173 -0.000353 0.000160 8C 1s -0.000158 0.000662 -0.000101 -0.000228 -0.000228 -0.000427 8C 2s -0.000349 0.001420 -0.000209 -0.000474 -0.000501 -0.000928 8C 3s -0.000020 -0.002055 0.000225 0.001107 0.000678 0.001311 8C 4s 0.004639 -0.004599 0.000170 -0.001802 0.001760 0.002731 8C 5s 0.006626 -0.008853 0.001668 0.012620 0.007884 0.011578 8C 1pz 0.105100 -0.094453 0.007699 0.011966 0.033479 0.058562 8C 1px 0.020146 -0.020605 -0.027169 -0.018123 -0.096316 -0.174215 8C 1py 0.073146 -0.053529 -0.006996 -0.008037 -0.018876 -0.036837 8C 2pz 0.081951 -0.073873 0.006093 0.010575 0.025924 0.046311 8C 2px 0.015688 -0.016463 -0.021278 -0.012439 -0.075688 -0.136921 8C 2py 0.060225 -0.043061 -0.005630 -0.008894 -0.014331 -0.029021 8C 3pz 0.033753 -0.030750 0.003123 0.003781 0.010842 0.019208 8C 3px 0.004797 -0.005476 -0.006740 -0.012435 -0.035597 -0.064457 8C 3py 0.026822 -0.020865 -0.001763 -0.001162 -0.005414 -0.011169 8C 1dz2 -0.003639 0.002794 0.000111 0.000098 0.000522 0.001023 8C 1dxz 0.000913 -0.000745 -0.001119 -0.000941 -0.004354 -0.007985 8C 1dyz -0.001957 0.001402 -0.000509 -0.000237 -0.002491 -0.004385 8C 1dx2y2 0.001686 -0.002004 0.000099 0.000281 0.000075 0.000060 8C 1dxy 0.001787 -0.001872 -0.000051 0.000350 0.000759 0.001402 8C 2dz2 -0.005935 0.004154 0.000241 0.000483 0.001092 0.001894 8C 2dxz -0.000659 0.000667 -0.000871 -0.000653 -0.003654 -0.006854 8C 2dyz 0.000223 -0.000963 -0.000403 0.001189 -0.002507 -0.003940 8C 2dx2y2 -0.002071 0.000974 0.000061 0.000903 -0.000475 -0.000658 8C 2dxy 0.000608 -0.000963 0.000533 0.000661 0.001688 0.003103 8C 1f0 -0.000118 0.000203 0.000010 -0.000142 -0.000084 -0.000175 8C 1f+1 0.000500 -0.000373 -0.000089 -0.000040 -0.000399 -0.000707 8C 1f-1 -0.001319 0.001004 -0.000042 -0.000077 0.000056 0.000054 8C 1f+2 0.000122 -0.000067 -0.000072 -0.000054 0.000080 0.000149 8C 1f-2 -0.000523 0.000441 0.000117 -0.000036 0.000101 0.000140 8C 1f+3 -0.000727 0.000455 0.000035 0.000126 0.000319 0.000623 8C 1f-3 0.000835 -0.000555 0.000011 -0.000045 0.000544 0.000999 9C 1s 0.002766 0.000356 0.000058 0.000046 -0.000534 0.000294 9C 2s 0.005913 0.000764 0.000123 0.000076 -0.001154 0.000636 9C 3s -0.010796 -0.001476 -0.000145 -0.000494 0.001582 -0.000732 9C 4s -0.003973 -0.000943 -0.001080 0.002638 0.004675 -0.003417 9C 5s -0.011339 -0.000579 0.004956 -0.001238 0.014670 -0.007552 9C 1pz -0.023109 0.050762 -0.009901 0.001998 0.061865 -0.033787 9C 1px 0.000839 0.032590 0.022434 -0.023810 -0.170557 0.098183 9C 1py -0.050753 -0.092008 0.005136 -0.003175 -0.028523 0.015141 9C 2pz -0.022663 0.039729 -0.008054 -0.001136 0.046778 -0.025222 9C 2px -0.000179 0.025301 0.017534 -0.018255 -0.133832 0.077366 9C 2py -0.042968 -0.072844 0.003760 -0.003800 -0.023134 0.012688 9C 3pz -0.007235 0.018244 -0.002119 0.003046 0.017977 -0.009554 9C 3px -0.001218 0.011402 0.004621 -0.011614 -0.060851 0.034931 9C 3py -0.016385 -0.030463 0.002321 -0.002745 -0.012655 0.006987 9C 1dz2 0.001274 -0.000636 0.000058 0.000228 0.000641 -0.000397 9C 1dxz 0.001278 0.002171 0.000527 -0.000666 -0.005520 0.003223 9C 1dyz 0.002532 0.000667 -0.000394 0.000674 0.003510 -0.002053 9C 1dx2y2 -0.000691 0.000252 -0.000838 0.000596 0.005851 -0.003312 9C 1dxy -0.000485 -0.003401 0.000282 -0.000086 -0.002546 0.001402 9C 2dz2 0.001437 -0.003088 -0.000160 0.000589 0.002231 -0.001306 9C 2dxz 0.000907 -0.000260 0.000619 0.000211 -0.005126 0.002890 9C 2dyz 0.004941 0.002509 -0.000332 0.001179 0.002754 -0.001835 9C 2dx2y2 -0.001808 -0.001635 -0.000376 -0.000202 0.002815 -0.001594 9C 2dxy 0.000280 -0.002286 0.000474 0.000294 -0.003052 0.001642 9C 1f0 0.000232 0.000773 0.000009 -0.000052 -0.000695 0.000408 9C 1f+1 -0.000073 0.000612 0.000079 -0.000083 0.000019 -0.000007 9C 1f-1 -0.000553 0.000078 -0.000083 -0.000114 0.000167 -0.000068 9C 1f+2 0.000476 0.000863 -0.000059 0.000072 0.000517 -0.000314 9C 1f-2 -0.000016 0.000008 0.000037 -0.000043 0.000505 -0.000294 9C 1f+3 -0.000401 -0.000289 -0.000002 -0.000041 0.000080 -0.000046 9C 1f-3 -0.000289 -0.000296 0.000056 -0.000054 -0.000570 0.000338 10H 1s 0.013360 -0.009120 -0.012469 -0.011238 -0.098980 0.057090 10H 2s 0.018033 -0.013563 -0.017115 -0.017203 -0.140753 0.081095 10H 3s 0.003889 -0.003705 -0.009905 -0.002914 -0.050711 0.029850 10H 1pz 0.000359 -0.002771 -0.000703 -0.001022 -0.005718 0.003322 10H 1px -0.001847 0.000249 0.000726 0.000711 0.006305 -0.003602 10H 1py -0.001421 0.002911 -0.000551 -0.000509 -0.003636 0.002029 11H 1s -0.002601 0.048117 0.003082 0.006869 0.033698 -0.020587 11H 2s -0.003792 0.067109 0.004550 0.010442 0.048378 -0.029661 11H 3s -0.004038 0.016233 0.000976 0.003034 0.017883 -0.010512 11H 1pz -0.001259 0.003650 0.000694 0.000829 0.005420 -0.003175 11H 1px -0.000376 0.004222 -0.000446 -0.000091 -0.002865 0.001550 11H 1py -0.001604 -0.000087 -0.000374 -0.000587 -0.003412 0.002007 12H 1s 0.022406 -0.041114 0.008524 0.007144 0.063574 -0.035978 12H 2s 0.030463 -0.057147 0.012128 0.010798 0.090988 -0.051311 12H 3s 0.005573 -0.015510 0.002651 0.001634 0.033033 -0.018833 12H 1pz -0.001523 -0.000688 0.000077 -0.000138 0.000097 -0.000001 12H 1px 0.001606 -0.004092 -0.000184 -0.000288 -0.001995 0.001230 12H 1py 0.001581 -0.003116 0.001028 0.001009 0.007497 -0.004249 13H 1s -0.015471 -0.015852 0.014291 -0.011720 -0.053829 -0.096172 13H 2s -0.021776 -0.022605 0.019693 -0.016831 -0.075600 -0.134807 13H 3s -0.004737 -0.004787 0.006440 -0.002353 -0.027034 -0.048971 13H 1pz 0.001854 0.001454 0.001154 -0.000877 -0.004019 -0.007186 13H 1px 0.002349 0.002442 -0.000470 0.000666 0.001900 0.003382 13H 1py 0.003731 0.002985 -0.000554 0.000439 0.002107 0.003589 14H 1s -0.041237 -0.038147 -0.011290 0.005348 0.039443 0.071635 14H 2s -0.056187 -0.052854 -0.015696 0.008511 0.055929 0.101687 14H 3s -0.015608 -0.014030 -0.007648 0.001216 0.020628 0.037161 14H 1pz 0.000047 -0.000017 -0.001172 0.000897 0.004158 0.007442 14H 1px -0.005257 -0.004762 -0.000537 0.000266 0.001694 0.003180 14H 1py 0.002102 0.001356 0.000032 -0.000181 0.000258 0.000406 15H 1s 0.060662 0.049872 -0.002688 0.002470 0.014552 0.024077 15H 2s 0.083241 0.069896 -0.003399 0.004385 0.020861 0.034515 15H 3s 0.020532 0.017069 -0.001482 0.000669 0.008281 0.013426 15H 1pz -0.002401 -0.001748 -0.000015 0.000064 -0.000171 -0.000241 15H 1px 0.002920 0.002547 0.000920 -0.000505 -0.003113 -0.005632 15H 1py -0.005705 -0.004920 0.000537 -0.000681 -0.002428 -0.004186 16H 1s 0.001279 -0.000135 -0.059877 0.059607 -0.008681 -0.002729 16H 2s -0.000688 -0.000431 -0.071878 0.071590 -0.012209 -0.002048 16H 3s -0.000162 0.000170 -0.028438 0.029500 -0.003556 0.000873 16H 1pz -0.000251 -0.000079 -0.006313 0.006401 -0.000973 -0.000210 16H 1px 0.000058 -0.000035 -0.008224 0.008135 -0.000538 -0.000339 16H 1py 0.000194 -0.000008 0.004141 -0.004336 0.001195 0.000161 17H 1s -0.002986 -0.000077 -0.059612 0.059390 -0.009054 -0.001693 17H 2s -0.003205 -0.000138 -0.070774 0.070642 -0.011639 -0.003255 17H 3s -0.000550 0.000170 -0.026691 0.027781 -0.002370 -0.001872 17H 1pz 0.000303 0.000019 0.010537 -0.010568 0.001310 0.000243 17H 1px 0.000103 -0.000037 -0.002240 0.002090 0.000164 0.000201 17H 1py 0.000044 0.000006 0.002731 -0.002901 0.000918 0.000419 18H 1s 0.002989 -0.000096 -0.058093 -0.060883 0.009088 0.001460 18H 2s 0.003169 -0.000164 -0.069174 -0.072594 0.011706 0.002931 18H 3s 0.000521 0.000156 -0.025896 -0.028433 0.002502 0.001755 18H 1pz 0.000298 -0.000021 -0.010234 -0.010794 0.001318 0.000186 18H 1px 0.000097 0.000037 0.002232 0.002198 0.000139 0.000226 18H 1py 0.000038 -0.000009 -0.002828 -0.003161 0.000956 0.000433 19H 1s -0.001359 -0.000150 -0.058282 -0.061114 0.008974 0.002414 19H 2s 0.000589 -0.000436 -0.070008 -0.073466 0.012591 0.001627 19H 3s 0.000128 0.000156 -0.027706 -0.030210 0.003509 -0.000944 19H 1pz -0.000248 0.000076 0.006275 0.006704 -0.001028 -0.000188 19H 1px 0.000060 0.000036 0.008013 0.008346 -0.000585 -0.000278 19H 1py 0.000186 0.000004 -0.003833 -0.004230 0.001150 0.000169 20H 1s -0.060638 0.049693 -0.002664 -0.002742 -0.014464 -0.024352 20H 2s -0.083213 0.069639 -0.003343 -0.004763 -0.020705 -0.034865 20H 3s -0.020608 0.017091 -0.001487 -0.000734 -0.008218 -0.013421 20H 1pz -0.002388 0.001735 0.000008 0.000054 -0.000201 -0.000308 20H 1px 0.003001 -0.002604 -0.000902 -0.000545 -0.003006 -0.005488 20H 1py -0.005683 0.004883 -0.000530 -0.000725 -0.002393 -0.004184 21H 1s 0.041793 -0.038459 -0.011088 -0.005871 -0.038173 -0.069925 21H 2s 0.056931 -0.053282 -0.015395 -0.009234 -0.054134 -0.099251 21H 3s 0.015825 -0.014158 -0.007584 -0.001497 -0.019941 -0.036289 21H 1pz -0.000020 0.000077 0.001153 0.000962 0.004056 0.007334 21H 1px -0.005303 0.004780 0.000517 0.000280 0.001599 0.003023 21H 1py 0.002077 -0.001332 -0.000031 -0.000179 0.000255 0.000406 22H 1s 0.015141 -0.015471 0.014049 0.012539 0.052466 0.094745 22H 2s 0.021289 -0.022039 0.019337 0.017950 0.073741 0.132885 22H 3s 0.004514 -0.004607 0.006380 0.002776 0.026272 0.048255 22H 1pz 0.001924 -0.001513 -0.001128 -0.000929 -0.003896 -0.007028 22H 1px 0.002328 -0.002410 0.000466 0.000701 0.001884 0.003394 22H 1py 0.003712 -0.002961 0.000549 0.000478 0.002083 0.003593 23H 1s -0.022648 -0.041843 0.008578 -0.007002 -0.060149 0.033792 23H 2s -0.030784 -0.058150 0.012245 -0.010605 -0.086183 0.048245 23H 3s -0.005611 -0.015750 0.002624 -0.001658 -0.031241 0.017645 23H 1pz -0.001547 0.000675 -0.000067 -0.000140 0.000085 0.000006 23H 1px 0.001572 0.004066 0.000209 -0.000314 -0.002105 0.001275 23H 1py 0.001622 0.003249 -0.001047 0.001000 0.007158 -0.004025 24H 1s 0.002473 0.048339 0.003389 -0.007061 -0.033820 0.020405 24H 2s 0.003672 0.067443 0.004991 -0.010725 -0.048535 0.029388 24H 3s 0.003992 0.016428 0.001077 -0.003154 -0.017934 0.010445 24H 1pz -0.001252 -0.003612 -0.000723 0.000845 0.005332 -0.003092 24H 1px -0.000372 -0.004312 0.000424 -0.000060 -0.002577 0.001379 24H 1py -0.001631 0.000010 0.000397 -0.000591 -0.003332 0.001943 25H 1s -0.013285 -0.008444 -0.012662 0.011278 0.095615 -0.054671 25H 2s -0.017930 -0.012593 -0.017421 0.017260 0.135911 -0.077622 25H 3s -0.003836 -0.003483 -0.009941 0.002839 0.048807 -0.028491 25H 1pz 0.000355 0.002741 0.000735 -0.001033 -0.005590 0.003217 25H 1px -0.001834 -0.000138 -0.000734 0.000711 0.006078 -0.003441 25H 1py -0.001458 -0.002962 0.000549 -0.000492 -0.003365 0.001863 26O 1s 0.000191 -0.000034 -0.000116 0.000998 -0.000135 -0.000255 26O 2s 0.000412 -0.000071 -0.000252 0.002373 -0.000419 -0.000575 26O 3s 0.000427 -0.000087 -0.000035 -0.003309 0.001675 0.000522 26O 4s -0.005676 0.001191 0.002138 -0.006436 0.000148 0.001023 26O 5s 0.004352 -0.001339 0.005265 -0.011244 -0.002067 0.001482 26O 1pz 0.032641 -0.041098 0.006783 0.013069 0.002360 0.000597 26O 1px -0.017809 -0.023893 -0.005291 -0.016900 -0.063525 0.036980 26O 1py -0.022032 0.067993 0.003860 -0.000344 -0.019313 0.012118 26O 2pz 0.028066 -0.034854 0.006272 0.009996 0.001686 0.000673 26O 2px -0.012598 -0.020541 -0.004234 -0.013543 -0.052795 0.030924 26O 2py -0.017407 0.057210 0.003239 -0.000262 -0.016501 0.010333 26O 3pz 0.017269 -0.017774 0.000964 0.009455 0.008625 -0.004031 26O 3px -0.005104 -0.010329 -0.011420 -0.003254 -0.028432 0.018849 26O 3py -0.007450 0.032828 0.000691 0.001099 -0.002983 0.003259 26O 1dz2 -0.000421 0.000128 -0.000080 -0.000129 -0.000908 0.000547 26O 1dxz -0.000996 0.001126 -0.000166 -0.000168 0.000057 -0.000053 26O 1dyz -0.000441 0.000292 -0.000157 -0.000048 -0.000217 0.000167 26O 1dx2y2 0.000274 0.001354 0.000116 0.000292 0.001015 -0.000580 26O 1dxy 0.000572 -0.001458 -0.000029 0.000096 0.000776 -0.000435 26O 2dz2 0.000221 -0.000184 -0.000198 -0.000281 -0.002413 0.001747 26O 2dxz -0.003146 0.003136 -0.000496 -0.000824 -0.000867 0.000439 26O 2dyz -0.000372 0.001320 0.000092 -0.000430 -0.001496 0.001104 26O 2dx2y2 0.000202 0.003665 0.000459 0.000806 0.002730 -0.001821 26O 2dxy 0.001314 -0.004563 0.000018 -0.000067 0.001363 -0.000942 26O 1f0 -0.000307 0.000284 -0.000031 -0.000040 0.000100 -0.000047 26O 1f+1 0.000279 -0.000156 -0.000015 0.000155 0.000422 -0.000249 26O 1f-1 0.000316 -0.000440 -0.000036 0.000112 0.000267 -0.000090 26O 1f+2 0.000382 -0.000679 0.000037 0.000003 -0.000194 0.000079 26O 1f-2 0.000369 -0.000313 -0.000005 0.000086 -0.000035 0.000050 26O 1f+3 -0.000076 0.001179 0.000085 0.000080 0.000197 -0.000116 26O 1f-3 0.000243 -0.000423 -0.000003 0.000114 0.000495 -0.000316 27O 1s -0.000214 -0.000218 0.001978 -0.002081 0.000360 0.000351 27O 2s -0.000502 -0.000501 0.004794 -0.005051 0.000800 0.000747 27O 3s 0.000640 0.000411 -0.007988 0.008526 -0.000442 -0.000058 27O 4s 0.002074 0.002937 -0.009961 0.009459 -0.003002 -0.002966 27O 5s 0.001605 0.001454 0.004014 -0.000482 -0.007936 -0.006961 27O 1pz 0.101126 0.067630 -0.004957 0.001824 0.007133 0.010896 27O 1px 0.017092 0.017253 -0.000268 0.004958 -0.039910 -0.066628 27O 1py 0.063900 0.047177 0.008049 -0.001497 0.000827 0.008002 27O 2pz 0.085158 0.056978 -0.004044 0.001154 0.005824 0.008776 27O 2px 0.013999 0.013674 -0.000909 0.004731 -0.032535 -0.054999 27O 2py 0.054287 0.040331 0.006730 -0.000720 0.000534 0.006397 27O 3pz 0.048613 0.032477 0.000515 0.001834 0.004444 0.009602 27O 3px 0.009600 0.007807 -0.005300 0.005295 -0.014097 -0.029740 27O 3py 0.028380 0.021242 0.004320 -0.005183 -0.003087 -0.001957 27O 1dz2 0.000300 0.000224 -0.000098 0.000109 -0.000451 -0.000701 27O 1dxz -0.002598 -0.001778 0.000057 0.000078 -0.000196 -0.000291 27O 1dyz 0.000563 0.000418 0.000054 -0.000037 0.000118 0.000316 27O 1dx2y2 -0.000765 -0.000740 0.000057 -0.000189 0.000869 0.001416 27O 1dxy -0.001510 -0.001195 -0.000121 -0.000073 -0.000164 -0.000333 27O 2dz2 0.002318 0.001307 -0.000685 0.000897 -0.000772 -0.001274 27O 2dxz -0.007437 -0.005183 -0.000317 0.000101 -0.000925 -0.001560 27O 2dyz 0.001030 0.001093 0.000102 -0.000230 0.000711 0.001474 27O 2dx2y2 -0.001452 -0.001540 0.001401 -0.001850 0.001911 0.003805 27O 2dxy -0.005118 -0.004084 -0.000369 0.000469 0.000550 0.000804 27O 1f0 -0.001142 -0.000777 0.000060 -0.000001 -0.000109 -0.000119 27O 1f+1 -0.000127 -0.000116 -0.000013 -0.000032 0.000227 0.000439 27O 1f-1 -0.000518 -0.000373 0.000012 -0.000048 -0.000035 -0.000081 27O 1f+2 0.001230 0.000849 0.000136 -0.000141 0.000002 0.000063 27O 1f-2 -0.000841 -0.000588 0.000134 -0.000039 -0.000131 -0.000164 27O 1f+3 -0.000823 -0.000685 -0.000150 -0.000058 0.000313 0.000492 27O 1f-3 -0.000849 -0.000674 0.000018 -0.000080 -0.000157 -0.000310 28O 1s 0.000157 -0.000075 0.001631 0.001715 -0.000892 0.000426 28O 2s 0.000328 -0.000168 0.003963 0.004171 -0.002012 0.000960 28O 3s 0.000579 0.000089 -0.006749 -0.007157 0.001396 -0.000673 28O 4s -0.005612 0.001047 -0.007486 -0.007210 0.008968 -0.004307 28O 5s 0.005947 -0.000084 -0.000209 -0.000925 0.013492 -0.003688 28O 1pz 0.015278 -0.040876 -0.003512 -0.002974 0.041312 -0.025765 28O 1px 0.038709 -0.027281 -0.004024 -0.000633 -0.063848 0.032906 28O 1py -0.012233 0.068935 -0.005257 -0.001527 -0.000324 -0.000684 28O 2pz 0.014622 -0.034410 -0.003236 -0.002722 0.032219 -0.020507 28O 2px 0.030868 -0.022706 -0.002904 0.000016 -0.051300 0.026629 28O 2py -0.009811 0.057553 -0.004149 -0.000856 -0.000587 -0.000379 28O 3pz 0.010480 -0.019098 -0.001451 -0.003221 0.014570 -0.011097 28O 3px 0.016333 -0.013015 0.002508 0.000600 -0.027083 0.017191 28O 3py -0.004072 0.033410 -0.003728 -0.003764 -0.002509 0.001437 28O 1dz2 -0.000970 0.001248 0.000040 -0.000058 0.000170 -0.000078 28O 1dxz -0.000204 -0.000385 -0.000108 -0.000110 0.001513 -0.000826 28O 1dyz 0.000039 -0.001114 0.000042 -0.000033 0.000144 -0.000123 28O 1dx2y2 0.000882 -0.000427 -0.000041 0.000084 -0.001079 0.000530 28O 1dxy -0.000207 0.001537 -0.000086 0.000017 0.000159 -0.000128 28O 2dz2 -0.002263 0.003282 -0.000046 0.000211 0.001605 -0.000968 28O 2dxz 0.000775 -0.001721 -0.000859 -0.001361 0.002553 -0.001729 28O 2dyz 0.000927 -0.002911 -0.000031 -0.000178 0.001694 -0.001060 28O 2dx2y2 0.002236 -0.001770 0.000749 0.000799 -0.002855 0.001671 28O 2dxy -0.000016 0.004559 -0.000104 -0.000224 -0.000322 0.000023 28O 1f0 0.000479 -0.000722 -0.000033 0.000027 -0.000232 0.000112 28O 1f+1 -0.000478 0.000807 -0.000069 -0.000082 -0.000262 0.000171 28O 1f-1 0.000168 0.000171 -0.000183 -0.000074 -0.000081 -0.000030 28O 1f+2 -0.000217 -0.000229 0.000130 0.000013 0.000569 -0.000308 28O 1f-2 0.000208 -0.000975 0.000013 -0.000076 -0.000063 0.000024 28O 1f+3 -0.000271 0.000081 0.000006 -0.000066 0.000243 -0.000152 28O 1f-3 0.000107 -0.000744 -0.000026 -0.000025 -0.000117 0.000068 29O 1s -0.000409 -0.000005 -0.020657 0.020929 -0.004005 -0.001011 29O 2s -0.000989 -0.000011 -0.049684 0.050363 -0.009681 -0.002440 29O 3s 0.001565 0.000016 0.077538 -0.078853 0.015685 0.003908 29O 4s 0.001841 -0.000078 0.108878 -0.109647 0.019805 0.005333 29O 5s 0.004085 0.000582 0.114064 -0.118364 0.025681 0.005224 29O 1pz -0.004536 0.000295 0.087660 -0.085977 0.009350 0.004569 29O 1px -0.003446 -0.000476 -0.188940 0.183455 -0.018396 -0.003632 29O 1py 0.004638 0.000187 0.191463 -0.195680 0.037209 0.009285 29O 2pz -0.003733 0.000174 0.073648 -0.072154 0.007640 0.003776 29O 2px -0.002734 -0.000408 -0.160776 0.155839 -0.015131 -0.002995 29O 2py 0.003797 0.000164 0.156405 -0.160271 0.030272 0.007537 29O 3pz -0.004156 0.000138 0.045160 -0.044631 0.004326 0.004141 29O 3px -0.002353 -0.000427 -0.097367 0.095465 -0.010330 -0.001262 29O 3py 0.001842 -0.000221 0.107854 -0.109242 0.022054 0.005841 29O 1dz2 0.000087 -0.000004 -0.000056 0.000039 0.000022 -0.000002 29O 1dxz -0.000109 0.000002 -0.000095 0.000103 -0.000052 0.000006 29O 1dyz 0.000070 -0.000006 -0.001284 0.001285 -0.000188 -0.000047 29O 1dx2y2 -0.000004 0.000002 0.000816 -0.000869 0.000225 0.000068 29O 1dxy 0.000070 0.000002 0.003262 -0.003251 0.000443 0.000110 29O 2dz2 0.000498 0.000021 0.002147 -0.002432 0.000628 0.000072 29O 2dxz -0.000268 -0.000000 0.000585 -0.000832 0.000076 0.000138 29O 2dyz 0.000589 0.000010 -0.005450 0.005401 -0.000707 -0.000222 29O 2dx2y2 0.000085 -0.000016 0.006141 -0.005941 0.001268 0.000404 29O 2dxy 0.000266 0.000045 0.012049 -0.011799 0.001443 0.000324 29O 1f0 -0.000043 0.000003 0.001229 -0.001215 0.000103 0.000055 29O 1f+1 -0.000047 -0.000002 -0.000466 0.000449 -0.000011 0.000022 29O 1f-1 -0.000037 -0.000002 0.001249 -0.001260 0.000203 0.000082 29O 1f+2 0.000014 -0.000001 -0.000635 0.000659 -0.000064 -0.000025 29O 1f-2 0.000070 0.000003 0.000482 -0.000486 0.000116 -0.000018 29O 1f+3 -0.000031 -0.000003 -0.001209 0.001276 -0.000220 -0.000039 29O 1f-3 -0.000039 -0.000004 -0.001278 0.001265 -0.000138 -0.000010 30O 1s -0.000188 -0.000197 -0.000282 -0.001395 0.000132 -0.000460 30O 2s -0.000464 -0.000474 -0.000645 -0.003308 0.000394 -0.000997 30O 3s 0.000931 0.000685 0.000458 0.004444 -0.001537 0.000261 30O 4s 0.000355 0.001468 0.003119 0.009635 0.001278 0.004880 30O 5s 0.002805 0.002387 0.011846 0.018281 0.001733 0.004657 30O 1pz 0.100433 0.071263 0.000958 0.001808 0.016243 0.030208 30O 1px 0.023939 0.010289 0.009900 -0.023345 -0.030902 -0.054965 30O 1py 0.066387 0.046874 -0.005549 0.002234 -0.017067 -0.033866 30O 2pz 0.084053 0.059207 0.001109 0.001512 0.013290 0.024706 30O 2px 0.019870 0.008813 0.008741 -0.017997 -0.025285 -0.045255 30O 2py 0.055681 0.039710 -0.004731 0.002212 -0.013508 -0.027225 30O 3pz 0.049437 0.035277 -0.007699 -0.004795 0.005430 0.012874 30O 3px 0.011756 0.005539 0.013510 -0.006041 -0.014243 -0.028732 30O 3py 0.029261 0.020509 0.002378 0.004174 -0.006346 -0.014219 30O 1dz2 -0.002241 -0.001607 -0.000067 0.000153 0.000189 0.000289 30O 1dxz 0.001566 0.001211 -0.000040 0.000250 0.000551 0.000991 30O 1dyz 0.000468 0.000322 0.000216 0.000080 0.000212 0.000326 30O 1dx2y2 -0.000380 -0.000491 0.000261 -0.000327 -0.000316 -0.000579 30O 1dxy 0.001659 0.001139 0.000039 -0.000155 -0.000615 -0.001170 30O 2dz2 -0.005401 -0.004021 -0.000506 0.000265 0.000383 0.000738 30O 2dxz 0.005770 0.004049 -0.000578 0.000219 0.001199 0.002673 30O 2dyz 0.000609 0.000615 -0.000260 -0.000617 -0.000164 -0.000501 30O 2dx2y2 -0.000416 -0.001092 0.000713 -0.001176 -0.001377 -0.002729 30O 2dxy 0.004640 0.003376 0.000124 0.000133 -0.001089 -0.002609 30O 1f0 0.000278 0.000189 0.000035 -0.000041 -0.000107 -0.000302 30O 1f+1 -0.001427 -0.001013 -0.000024 0.000041 -0.000023 -0.000035 30O 1f-1 -0.001442 -0.001018 0.000025 0.000056 -0.000005 -0.000022 30O 1f+2 0.000495 0.000440 -0.000056 0.000165 0.000123 0.000155 30O 1f-2 0.000129 0.000116 -0.000013 0.000075 0.000287 0.000495 30O 1f+3 0.000677 0.000556 -0.000091 0.000036 -0.000096 -0.000115 30O 1f-3 -0.000444 -0.000261 -0.000034 0.000163 0.000235 0.000439 31O 1s 0.000221 -0.000195 -0.000280 0.001365 -0.000162 0.000431 31O 2s 0.000544 -0.000467 -0.000641 0.003236 -0.000463 0.000929 31O 3s -0.001059 0.000673 0.000452 -0.004359 0.001618 -0.000181 31O 4s -0.000518 0.001456 0.003111 -0.009400 -0.001070 -0.004702 31O 5s -0.002865 0.002256 0.011602 -0.017187 -0.001550 -0.004413 31O 1pz 0.100832 -0.071268 -0.000911 0.001762 0.016032 0.029609 31O 1px 0.023636 -0.010213 -0.009583 -0.023854 -0.029737 -0.053751 31O 1py 0.066696 -0.046867 0.005478 0.002417 -0.016381 -0.033314 31O 2pz 0.084394 -0.059211 -0.001103 0.001495 0.013128 0.024197 31O 2px 0.019607 -0.008740 -0.008461 -0.018476 -0.024339 -0.044267 31O 2py 0.055920 -0.039689 0.004687 0.002343 -0.012955 -0.026772 31O 3pz 0.049654 -0.035278 0.007750 -0.004467 0.005392 0.012593 31O 3px 0.011577 -0.005502 -0.013232 -0.006830 -0.013688 -0.028122 31O 3py 0.029406 -0.020560 -0.002298 0.003886 -0.006030 -0.013965 31O 1dz2 0.002245 -0.001606 -0.000066 -0.000155 -0.000181 -0.000279 31O 1dxz -0.001576 0.001212 -0.000041 -0.000251 -0.000537 -0.000973 31O 1dyz -0.000467 0.000320 0.000214 -0.000069 -0.000203 -0.000316 31O 1dx2y2 0.000389 -0.000494 0.000258 0.000338 0.000305 0.000570 31O 1dxy -0.001662 0.001137 0.000041 0.000154 0.000595 0.001149 31O 2dz2 0.005411 -0.004018 -0.000503 -0.000285 -0.000375 -0.000719 31O 2dxz -0.005801 0.004047 -0.000561 -0.000260 -0.001167 -0.002623 31O 2dyz -0.000601 0.000611 -0.000250 0.000585 0.000157 0.000490 31O 2dx2y2 0.000444 -0.001091 0.000693 0.001207 0.001330 0.002685 31O 2dxy -0.004646 0.003371 0.000114 -0.000107 0.001045 0.002555 31O 1f0 0.000278 -0.000189 -0.000034 -0.000043 -0.000102 -0.000298 31O 1f+1 -0.001429 0.001012 0.000023 0.000042 -0.000024 -0.000034 31O 1f-1 -0.001447 0.001017 -0.000026 0.000057 -0.000008 -0.000021 31O 1f+2 0.000502 -0.000442 0.000054 0.000169 0.000120 0.000151 31O 1f-2 0.000131 -0.000116 0.000009 0.000079 0.000278 0.000483 31O 1f+3 0.000682 -0.000555 0.000093 0.000037 -0.000091 -0.000110 31O 1f-3 -0.000441 0.000260 0.000031 0.000167 0.000227 0.000430 32O 1s 0.000393 -0.000012 -0.020108 -0.021447 0.004054 0.000929 32O 2s 0.000949 -0.000028 -0.048360 -0.051606 0.009800 0.002243 32O 3s -0.001502 0.000043 0.075423 0.080748 -0.015862 -0.003599 32O 4s -0.001762 -0.000044 0.106135 0.112520 -0.020084 -0.004925 32O 5s -0.003969 0.000608 0.110995 0.121239 -0.025997 -0.004651 32O 1pz -0.004803 -0.000297 -0.080295 -0.082827 0.009059 0.003732 32O 1px -0.003428 0.000511 0.186063 0.190198 -0.019322 -0.002498 32O 1py 0.004349 -0.000257 -0.186737 -0.200900 0.037603 0.008819 32O 2pz -0.003952 -0.000180 -0.067568 -0.069606 0.007394 0.003088 32O 2px -0.002714 0.000440 0.158246 0.161491 -0.015904 -0.002041 32O 2py 0.003553 -0.000224 -0.152500 -0.164503 0.030588 0.007162 32O 3pz -0.004286 -0.000157 -0.041230 -0.042848 0.004144 0.003660 32O 3px -0.002360 0.000429 0.095839 0.098921 -0.010858 -0.000612 32O 3py 0.001679 0.000191 -0.105072 -0.112043 0.022208 0.005704 32O 1dz2 -0.000085 -0.000004 -0.000006 0.000008 -0.000022 -0.000003 32O 1dxz 0.000113 0.000002 -0.000149 -0.000163 0.000052 -0.000002 32O 1dyz -0.000076 -0.000005 -0.001214 -0.001279 0.000190 0.000036 32O 1dx2y2 0.000008 0.000003 0.000775 0.000871 -0.000225 -0.000067 32O 1dxy -0.000067 0.000003 0.003200 0.003357 -0.000454 -0.000094 32O 2dz2 -0.000472 0.000020 0.002295 0.002703 -0.000636 -0.000094 32O 2dxz 0.000289 -0.000003 0.000361 0.000639 -0.000074 -0.000124 32O 2dyz -0.000618 0.000007 -0.005055 -0.005266 0.000688 0.000175 32O 2dx2y2 -0.000062 -0.000016 0.005905 0.006015 -0.001272 -0.000401 32O 2dxy -0.000257 0.000046 0.011844 0.012210 -0.001497 -0.000258 32O 1f0 -0.000043 -0.000004 -0.001118 -0.001163 0.000097 0.000045 32O 1f+1 -0.000049 0.000002 0.000496 0.000503 -0.000016 0.000023 32O 1f-1 -0.000040 0.000001 -0.001257 -0.001334 0.000212 0.000079 32O 1f+2 0.000015 0.000001 0.000685 0.000745 -0.000077 -0.000023 32O 1f-2 0.000070 -0.000003 -0.000457 -0.000487 0.000114 -0.000016 32O 1f+3 -0.000028 0.000004 0.001147 0.001276 -0.000217 -0.000035 32O 1f-3 -0.000039 0.000004 0.001241 0.001294 -0.000142 -0.000003 33O 1s -0.000197 -0.000066 0.001711 -0.001692 0.000822 -0.000366 33O 2s -0.000424 -0.000147 0.004157 -0.004114 0.001851 -0.000819 33O 3s -0.000431 0.000066 -0.007072 0.007058 -0.001218 0.000506 33O 4s 0.005817 0.000950 -0.007865 0.007128 -0.008447 0.003860 33O 5s -0.005689 -0.000108 -0.000168 0.000423 -0.012532 0.003083 33O 1pz 0.015497 0.041482 0.003629 -0.003002 0.039777 -0.024479 33O 1px 0.039234 0.027428 0.003677 -0.000748 -0.061005 0.030959 33O 1py -0.012081 -0.069525 0.005186 -0.001478 -0.000271 -0.000884 33O 2pz 0.014803 0.034885 0.003343 -0.002782 0.031053 -0.019509 33O 2px 0.031295 0.022835 0.002581 -0.000047 -0.049047 0.025085 33O 2py -0.009682 -0.058056 0.004079 -0.000840 -0.000563 -0.000538 33O 3pz 0.010566 0.019472 0.001623 -0.003260 0.013955 -0.010537 33O 3px 0.016562 0.013093 -0.002711 0.000564 -0.025879 0.016351 33O 3py -0.004006 -0.033594 0.003774 -0.003620 -0.002421 0.001280 33O 1dz2 0.000979 0.001261 0.000034 0.000055 -0.000168 0.000076 33O 1dxz 0.000204 -0.000395 -0.000114 0.000106 -0.001454 0.000782 33O 1dyz -0.000035 -0.001120 0.000040 0.000033 -0.000145 0.000123 33O 1dx2y2 -0.000893 -0.000428 -0.000034 -0.000082 0.001036 -0.000500 33O 1dxy 0.000205 0.001553 -0.000084 -0.000017 -0.000156 0.000126 33O 2dz2 0.002290 0.003309 -0.000052 -0.000221 -0.001539 0.000916 33O 2dxz -0.000779 -0.001752 -0.000929 0.001369 -0.002465 0.001652 33O 2dyz -0.000914 -0.002931 -0.000038 0.000166 -0.001618 0.001005 33O 2dx2y2 -0.002267 -0.001775 0.000802 -0.000789 0.002746 -0.001594 33O 2dxy 0.000002 0.004607 -0.000113 0.000233 0.000318 -0.000018 33O 1f0 0.000483 0.000728 0.000030 0.000027 -0.000223 0.000107 33O 1f+1 -0.000483 -0.000817 0.000071 -0.000079 -0.000248 0.000160 33O 1f-1 0.000172 -0.000168 0.000184 -0.000071 -0.000078 -0.000032 33O 1f+2 -0.000220 0.000236 -0.000127 0.000010 0.000547 -0.000292 33O 1f-2 0.000207 0.000983 -0.000010 -0.000077 -0.000057 0.000022 33O 1f+3 -0.000276 -0.000079 -0.000002 -0.000066 0.000236 -0.000147 33O 1f-3 0.000107 0.000753 0.000027 -0.000025 -0.000111 0.000065 34O 1s 0.000249 -0.000211 0.001958 0.002150 -0.000338 -0.000313 34O 2s 0.000587 -0.000485 0.004743 0.005218 -0.000748 -0.000659 34O 3s -0.000775 0.000387 -0.007896 -0.008799 0.000388 -0.000046 34O 4s -0.002248 0.002897 -0.009886 -0.009850 0.002831 0.002694 34O 5s -0.001712 0.001368 0.004031 0.001098 0.007566 0.006636 34O 1pz 0.101259 -0.067521 0.004801 0.002131 0.006755 0.010829 34O 1px 0.017538 -0.017333 0.000350 0.004800 -0.038686 -0.065117 34O 1py 0.064300 -0.047186 -0.007924 -0.001862 0.000707 0.008004 34O 2pz 0.085287 -0.056895 0.003911 0.001409 0.005515 0.008733 34O 2px 0.014388 -0.013753 0.000979 0.004671 -0.031567 -0.053785 34O 2py 0.054611 -0.040330 -0.006639 -0.001046 0.000441 0.006417 34O 3pz 0.048638 -0.032399 -0.000546 0.001894 0.004248 0.009572 34O 3px 0.009821 -0.007794 0.005331 0.005506 -0.013563 -0.029036 34O 3py 0.028590 -0.021317 -0.004183 -0.005308 -0.003140 -0.001934 34O 1dz2 -0.000307 0.000226 -0.000096 -0.000110 0.000438 0.000684 34O 1dxz 0.002599 -0.001774 0.000056 -0.000073 0.000190 0.000287 34O 1dyz -0.000565 0.000418 0.000053 0.000038 -0.000117 -0.000314 34O 1dx2y2 0.000777 -0.000743 0.000056 0.000187 -0.000846 -0.001387 34O 1dxy 0.001519 -0.001196 -0.000120 0.000068 0.000158 0.000326 34O 2dz2 -0.002339 0.001311 -0.000681 -0.000931 0.000758 0.001241 34O 2dxz 0.007442 -0.005177 -0.000330 -0.000106 0.000903 0.001530 34O 2dyz -0.001033 0.001093 0.000102 0.000231 -0.000688 -0.001447 34O 2dx2y2 0.001485 -0.001541 0.001386 0.001902 -0.001860 -0.003735 34O 2dxy 0.005153 -0.004084 -0.000361 -0.000496 -0.000532 -0.000782 34O 1f0 -0.001142 0.000775 -0.000059 -0.000005 -0.000106 -0.000118 34O 1f+1 -0.000131 0.000118 0.000012 -0.000031 0.000218 0.000430 34O 1f-1 -0.000519 0.000373 -0.000011 -0.000049 -0.000033 -0.000079 34O 1f+2 0.001231 -0.000848 -0.000135 -0.000145 0.000002 0.000064 34O 1f-2 -0.000844 0.000588 -0.000133 -0.000045 -0.000126 -0.000163 34O 1f+3 -0.000833 0.000686 0.000148 -0.000054 0.000305 0.000481 34O 1f-3 -0.000852 0.000674 -0.000016 -0.000081 -0.000150 -0.000304 35O 1s -0.000242 -0.000020 -0.000050 -0.000970 0.000196 0.000207 35O 2s -0.000536 -0.000036 -0.000095 -0.002306 0.000561 0.000462 35O 3s -0.000233 -0.000127 -0.000255 0.003204 -0.001847 -0.000380 35O 4s 0.005931 0.001050 0.001720 0.006298 -0.000518 -0.000739 35O 5s -0.003985 -0.001374 0.004362 0.010599 0.001674 -0.001031 35O 1pz 0.033065 0.041642 -0.007211 0.013104 0.002118 0.000679 35O 1px -0.018245 0.024331 0.005920 -0.016810 -0.060473 0.034781 35O 1py -0.022076 -0.068496 -0.003848 -0.000380 -0.018605 0.011681 35O 2pz 0.028417 0.035303 -0.006601 0.009998 0.001505 0.000724 35O 2px -0.012949 0.020889 0.004695 -0.013527 -0.050303 0.029137 35O 2py -0.017438 -0.057662 -0.003247 -0.000313 -0.015889 0.009960 35O 3pz 0.017441 0.018074 -0.001264 0.009552 0.008365 -0.003911 35O 3px -0.005271 0.010566 0.011306 -0.003326 -0.026946 0.017822 35O 3py -0.007463 -0.032985 -0.000856 0.000946 -0.002738 0.003153 35O 1dz2 0.000425 0.000126 -0.000088 0.000125 0.000873 -0.000522 35O 1dxz 0.001005 0.001138 -0.000173 0.000168 -0.000054 0.000049 35O 1dyz 0.000446 0.000297 -0.000158 0.000047 0.000216 -0.000168 35O 1dx2y2 -0.000283 0.001369 0.000131 -0.000287 -0.000967 0.000546 35O 1dxy -0.000575 -0.001466 -0.000022 -0.000092 -0.000745 0.000412 35O 2dz2 -0.000215 -0.000199 -0.000202 0.000282 0.002305 -0.001670 35O 2dxz 0.003184 0.003164 -0.000534 0.000805 0.000832 -0.000414 35O 2dyz 0.000388 0.001339 0.000070 0.000422 0.001435 -0.001058 35O 2dx2y2 -0.000228 0.003711 0.000473 -0.000816 -0.002610 0.001740 35O 2dxy -0.001314 -0.004598 0.000004 0.000049 -0.001311 0.000909 35O 1f0 -0.000311 -0.000287 0.000034 -0.000039 0.000094 -0.000042 35O 1f+1 0.000283 0.000156 0.000011 0.000158 0.000402 -0.000235 35O 1f-1 0.000318 0.000445 0.000035 0.000116 0.000255 -0.000082 35O 1f+2 0.000385 0.000685 -0.000039 0.000001 -0.000184 0.000071 35O 1f-2 0.000374 0.000319 0.000001 0.000088 -0.000031 0.000047 35O 1f+3 -0.000072 -0.001191 -0.000088 0.000078 0.000188 -0.000109 35O 1f-3 0.000246 0.000422 0.000001 0.000117 0.000474 -0.000300 90 91 92 93 94 95 -0.38672 -0.38614 -0.37989 -0.36734 -0.36706 -0.35756 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s -0.000137 -0.000462 -0.000021 -0.000009 0.000017 -0.000037 0Rh 2s 0.000502 0.001769 0.000087 0.000034 -0.000061 0.000148 0Rh 3s -0.000478 -0.001577 -0.000069 -0.000029 0.000060 -0.000124 0Rh 4s -0.002120 -0.007504 -0.000364 -0.000145 0.000255 -0.000632 0Rh 5s 0.001429 0.005785 0.000332 0.000109 -0.000162 0.000556 0Rh 6s 0.003945 0.011505 0.000329 0.000233 -0.000528 0.000702 0Rh 7s -0.005972 -0.012037 0.001099 0.000397 -0.000256 0.000373 0Rh 8s 0.002272 0.000953 -0.001961 0.000613 0.000305 -0.000909 0Rh 1pz -0.003193 0.001111 0.000016 0.002800 0.002848 -0.000002 0Rh 1px -0.000480 0.001510 0.000065 0.001530 0.000213 0.000095 0Rh 1py -0.001400 -0.003050 -0.000025 -0.002659 0.003070 -0.000074 0Rh 2pz 0.010806 -0.003760 -0.000052 -0.009457 -0.009624 0.000006 0Rh 2px 0.001624 -0.005105 -0.000217 -0.005172 -0.000719 -0.000319 0Rh 2py 0.004740 0.010328 0.000082 0.008986 -0.010369 0.000249 0Rh 3pz -0.008719 0.003047 -0.000014 0.007280 0.007534 0.000001 0Rh 3px -0.001312 0.004081 0.000110 0.004060 0.000516 0.000220 0Rh 3py -0.003828 -0.008460 -0.000047 -0.007023 0.008006 -0.000147 0Rh 4pz -0.013909 0.004768 0.000254 0.013067 0.012873 -0.000026 0Rh 4px -0.002092 0.006665 0.000495 0.006874 0.001137 0.000545 0Rh 4py -0.006099 -0.012813 -0.000169 -0.012058 0.014287 -0.000491 0Rh 5pz 0.001087 -0.000285 -0.000238 -0.000349 0.000319 0.000052 0Rh 5px 0.000161 -0.000598 -0.000390 0.000217 -0.000350 -0.000226 0Rh 5py 0.000394 0.000168 0.000072 -0.000243 -0.000321 0.000192 0Rh 6pz 0.009695 -0.001121 0.000997 -0.022857 -0.025023 -0.001500 0Rh 6px 0.000376 -0.003813 0.001106 -0.014311 0.002414 0.000830 0Rh 6py 0.006921 0.013277 0.000503 0.023003 -0.025813 -0.000066 0Rh 1dz2 0.002875 -0.004474 -0.024602 -0.001147 0.001985 0.000306 0Rh 1dxz -0.011262 -0.000859 -0.011784 -0.006828 -0.005312 0.000367 0Rh 1dyz -0.002343 0.001080 0.014349 -0.000259 0.001381 -0.000297 0Rh 1dx2y2 0.002523 0.008689 -0.018166 -0.005585 -0.000571 -0.000289 0Rh 1dxy -0.003412 -0.005649 -0.001490 0.003104 -0.006364 -0.000166 0Rh 2dz2 -0.000083 0.000119 0.000608 0.000052 -0.000031 -0.000010 0Rh 2dxz 0.000333 0.000015 0.000304 0.000174 0.000120 -0.000013 0Rh 2dyz 0.000073 -0.000038 -0.000356 -0.000012 -0.000034 0.000007 0Rh 2dx2y2 -0.000065 -0.000238 0.000444 0.000138 0.000016 0.000010 0Rh 2dxy 0.000106 0.000176 0.000029 -0.000049 0.000144 0.000003 0Rh 3dz2 -0.004165 0.006381 0.035774 0.001606 -0.002958 -0.000435 0Rh 3dxz 0.016109 0.001258 0.017113 0.009917 0.007796 -0.000518 0Rh 3dyz 0.003305 -0.001515 -0.020834 0.000416 -0.002005 0.000431 0Rh 3dx2y2 -0.003596 -0.012401 0.026458 0.008110 0.000839 0.000401 0Rh 3dxy 0.004874 0.007974 0.002220 -0.004573 0.009285 0.000241 0Rh 4dz2 -0.005574 0.008682 0.047325 0.002406 -0.003642 -0.000609 0Rh 4dxz 0.022016 0.001586 0.022660 0.013148 0.010096 -0.000745 0Rh 4dyz 0.004731 -0.002062 -0.027716 0.000320 -0.002637 0.000576 0Rh 4dx2y2 -0.004901 -0.016859 0.034953 0.010772 0.001110 0.000595 0Rh 4dxy 0.006746 0.011177 0.002790 -0.005677 0.012109 0.000325 0Rh 5dz2 -0.004996 0.006589 0.038428 0.001517 -0.003225 -0.000353 0Rh 5dxz 0.016768 0.000927 0.018315 0.009891 0.007918 -0.000286 0Rh 5dyz 0.002800 -0.002549 -0.021441 0.000757 -0.002044 0.000434 0Rh 5dx2y2 -0.003165 -0.013026 0.028218 0.008083 0.000838 0.000162 0Rh 5dxy 0.005143 0.008638 0.002632 -0.005282 0.009420 0.000102 0Rh 1f0 0.000008 0.000522 0.000275 -0.002195 0.000260 -0.000122 0Rh 1f+1 0.000411 -0.000010 -0.000449 -0.001066 -0.000601 -0.000031 0Rh 1f-1 0.001050 0.000465 -0.000196 0.000334 0.002512 -0.000112 0Rh 1f+2 -0.000767 0.000720 -0.000243 -0.001674 0.000171 -0.000095 0Rh 1f-2 0.000273 0.000904 0.000248 -0.000302 0.001036 -0.000062 0Rh 1f+3 0.000327 -0.000543 0.000549 0.000461 0.000404 -0.000018 0Rh 1f-3 0.000220 0.000523 0.000200 0.000454 -0.001170 0.000073 1Rh 1s -0.000157 -0.000456 -0.000023 0.000014 -0.000013 -0.000037 1Rh 2s 0.000581 0.001745 0.000092 -0.000055 0.000048 0.000147 1Rh 3s -0.000549 -0.001556 -0.000074 0.000050 -0.000048 -0.000124 1Rh 4s -0.002455 -0.007401 -0.000386 0.000232 -0.000202 -0.000627 1Rh 5s 0.001699 0.005697 0.000350 -0.000167 0.000122 0.000552 1Rh 6s 0.004427 0.011375 0.000361 -0.000403 0.000444 0.000698 1Rh 7s -0.006472 -0.011950 0.001069 -0.000094 0.000345 0.000377 1Rh 8s 0.001700 0.001148 -0.002018 -0.000683 -0.000328 -0.000996 1Rh 1pz 0.003174 -0.001105 -0.000010 0.002803 0.002846 0.000002 1Rh 1px 0.000490 -0.001523 -0.000061 0.001525 0.000215 -0.000100 1Rh 1py 0.001395 0.003032 0.000015 -0.002660 0.003074 0.000098 1Rh 2pz -0.010741 0.003740 0.000032 -0.009465 -0.009620 -0.000005 1Rh 2px -0.001661 0.005150 0.000203 -0.005156 -0.000723 0.000338 1Rh 2py -0.004722 -0.010269 -0.000048 0.008991 -0.010384 -0.000328 1Rh 3pz 0.008660 -0.003029 0.000028 0.007285 0.007529 -0.000003 1Rh 3px 0.001359 -0.004124 -0.000098 0.004048 0.000520 -0.000235 1Rh 3py 0.003815 0.008413 0.000019 -0.007026 0.008017 0.000208 1Rh 4pz 0.013847 -0.004749 -0.000219 0.013082 0.012869 0.000033 1Rh 4px 0.002078 -0.006697 -0.000481 0.006847 0.001141 -0.000567 1Rh 4py 0.006073 0.012740 0.000127 -0.012067 0.014308 0.000605 1Rh 5pz -0.001108 0.000290 0.000231 -0.000358 0.000315 -0.000069 1Rh 5px -0.000091 0.000571 0.000395 0.000229 -0.000347 0.000220 1Rh 5py -0.000393 -0.000172 -0.000078 -0.000241 -0.000324 -0.000206 1Rh 6pz -0.009814 0.001250 -0.001184 -0.022752 -0.025039 0.001530 1Rh 6px -0.000260 0.003813 -0.001156 -0.014382 0.002409 -0.000761 1Rh 6py -0.006891 -0.013358 -0.000531 0.023068 -0.025805 -0.000076 1Rh 1dz2 0.003163 -0.004422 -0.024671 0.001241 -0.001973 0.000201 1Rh 1dxz -0.011102 -0.000958 -0.011774 0.006883 0.005314 0.000357 1Rh 1dyz -0.001884 0.001274 0.014368 0.000219 -0.001369 -0.000259 1Rh 1dx2y2 0.002325 0.008858 -0.018224 0.005641 0.000603 -0.000352 1Rh 1dxy -0.003404 -0.005458 -0.001492 -0.003094 0.006373 -0.000123 1Rh 2dz2 -0.000089 0.000118 0.000611 -0.000054 0.000030 -0.000007 1Rh 2dxz 0.000329 0.000017 0.000303 -0.000175 -0.000120 -0.000013 1Rh 2dyz 0.000064 -0.000042 -0.000357 0.000012 0.000034 0.000006 1Rh 2dx2y2 -0.000062 -0.000241 0.000446 -0.000140 -0.000017 0.000012 1Rh 2dxy 0.000107 0.000172 0.000028 0.000048 -0.000144 0.000002 1Rh 3dz2 -0.004580 0.006306 0.035872 -0.001741 0.002942 -0.000284 1Rh 3dxz 0.015880 0.001399 0.017101 -0.009997 -0.007800 -0.000503 1Rh 3dyz 0.002641 -0.001797 -0.020861 -0.000357 0.001988 0.000376 1Rh 3dx2y2 -0.003310 -0.012648 0.026541 -0.008192 -0.000884 0.000492 1Rh 3dxy 0.004862 0.007698 0.002224 0.004558 -0.009298 0.000181 1Rh 4dz2 -0.006122 0.008581 0.047466 -0.002586 0.003619 -0.000400 1Rh 4dxz 0.021713 0.001772 0.022634 -0.013253 -0.010099 -0.000730 1Rh 4dyz 0.003853 -0.002433 -0.027752 -0.000246 0.002615 0.000501 1Rh 4dx2y2 -0.004534 -0.017175 0.035065 -0.010877 -0.001173 0.000716 1Rh 4dxy 0.006730 0.010807 0.002789 0.005657 -0.012125 0.000241 1Rh 5dz2 -0.005517 0.006529 0.038502 -0.001643 0.003204 -0.000215 1Rh 5dxz 0.016461 0.001113 0.018321 -0.009967 -0.007925 -0.000259 1Rh 5dyz 0.002028 -0.002870 -0.021472 -0.000660 0.002013 0.000377 1Rh 5dx2y2 -0.002754 -0.013355 0.028302 -0.008196 -0.000878 0.000254 1Rh 5dxy 0.005148 0.008325 0.002650 0.005270 -0.009438 0.000049 1Rh 1f0 -0.000040 -0.000515 -0.000281 -0.002200 0.000260 0.000130 1Rh 1f+1 -0.000375 0.000010 0.000447 -0.001067 -0.000601 0.000035 1Rh 1f-1 -0.001053 -0.000477 0.000200 0.000331 0.002513 0.000111 1Rh 1f+2 0.000779 -0.000739 0.000240 -0.001677 0.000171 0.000100 1Rh 1f-2 -0.000224 -0.000893 -0.000246 -0.000300 0.001037 0.000063 1Rh 1f+3 -0.000295 0.000524 -0.000546 0.000466 0.000406 0.000018 1Rh 1f-3 -0.000208 -0.000547 -0.000196 0.000456 -0.001172 -0.000077 2C 1s 0.000529 0.000092 -0.000206 -0.000411 -0.000481 -0.000161 2C 2s 0.001131 0.000194 -0.000435 -0.000904 -0.001125 -0.000343 2C 3s -0.001323 -0.000136 0.000587 0.001129 0.001201 0.000471 2C 4s -0.005994 -0.001436 0.002572 0.005243 0.007399 0.001726 2C 5s -0.011871 0.000115 0.005092 0.003571 -0.015149 0.003932 2C 1pz 0.067268 0.011798 0.066197 0.088266 -0.002467 0.055435 2C 1px -0.186030 -0.032451 0.042233 0.056218 -0.007605 0.035945 2C 1py -0.028534 -0.005045 -0.120692 -0.144093 0.051952 -0.098729 2C 2pz 0.050311 0.009035 0.051997 0.070645 0.001576 0.043688 2C 2px -0.146176 -0.025569 0.032574 0.043969 -0.005125 0.028083 2C 2py -0.023618 -0.004353 -0.093643 -0.112448 0.043048 -0.077963 2C 3pz 0.019721 0.002960 0.027638 0.032726 -0.004998 0.020409 2C 3px -0.066400 -0.011676 0.016518 0.021063 -0.001131 0.012755 2C 3py -0.013314 -0.001008 -0.043827 -0.048336 0.015745 -0.032348 2C 1dz2 -0.000725 -0.000134 -0.001715 -0.002537 0.001484 -0.002223 2C 1dxz 0.006133 0.001061 -0.004602 -0.006225 0.001978 -0.004506 2C 1dyz -0.003819 -0.000673 0.000774 0.001806 0.000703 0.001234 2C 1dx2y2 -0.006381 -0.001138 -0.002164 -0.003337 0.000518 -0.002483 2C 1dxy 0.003098 0.000591 0.005107 0.006650 -0.001549 0.004530 2C 2dz2 -0.002703 -0.000505 -0.002837 -0.005004 0.002911 -0.004854 2C 2dxz 0.005915 0.001018 -0.003457 -0.004974 0.002015 -0.004171 2C 2dyz -0.003505 -0.000598 0.001152 0.003078 0.001714 0.002167 2C 2dx2y2 -0.003286 -0.000620 -0.002972 -0.005174 0.000422 -0.004144 2C 2dxy 0.003618 0.000643 0.003679 0.004469 -0.000780 0.003129 2C 1f0 -0.000863 -0.000158 -0.000679 -0.001142 0.000390 -0.001023 2C 1f+1 0.000092 0.000012 0.000203 0.000187 0.000188 0.000022 2C 1f-1 0.000159 0.000012 0.000003 0.000076 0.000387 -0.000037 2C 1f+2 0.000630 0.000115 -0.000183 -0.000578 -0.000110 -0.000508 2C 1f-2 0.000635 0.000111 -0.000326 -0.000456 0.000201 -0.000377 2C 1f+3 0.000087 0.000028 -0.000311 -0.000340 0.000222 -0.000264 2C 1f-3 -0.000642 -0.000109 0.000252 0.000483 0.000043 0.000374 3C 1s 0.000088 -0.000426 0.000325 -0.000430 0.000529 -0.000223 3C 2s 0.000190 -0.000919 0.000694 -0.001005 0.001160 -0.000482 3C 3s -0.000279 0.001310 -0.000915 0.000956 -0.001573 0.000835 3C 4s -0.000416 0.002753 -0.003045 0.007489 -0.004797 0.000712 3C 5s -0.001957 0.013198 -0.012867 -0.017860 -0.013882 0.016140 3C 1pz 0.011648 -0.065022 0.119456 0.047908 0.145953 -0.100498 3C 1px -0.035907 0.186429 0.025532 0.016843 0.028953 -0.021898 3C 1py -0.008065 0.040302 0.073194 0.004458 0.098272 -0.062505 3C 2pz 0.009241 -0.051389 0.092193 0.039499 0.113599 -0.079127 3C 2px -0.028293 0.146317 0.020357 0.014892 0.023223 -0.017880 3C 2py -0.006666 0.031692 0.057287 0.000104 0.077534 -0.048651 3C 3pz 0.003901 -0.020857 0.044098 0.012593 0.050510 -0.032486 3C 3px -0.011941 0.069738 0.007905 0.004504 0.007834 -0.006107 3C 3py -0.001783 0.012232 0.031510 0.004217 0.038902 -0.025156 3C 1dz2 -0.000264 0.001271 0.001605 0.000228 0.001553 -0.000734 3C 1dxz 0.001720 -0.008725 -0.002427 -0.000608 -0.003618 0.002643 3C 1dyz 0.000874 -0.004705 0.004027 0.000565 0.005969 -0.004158 3C 1dx2y2 0.000038 -0.000006 -0.004753 -0.002440 -0.006449 0.004899 3C 1dxy -0.000278 0.001680 -0.002724 -0.001530 -0.003406 0.002501 3C 2dz2 -0.000482 0.002343 -0.001048 -0.001201 -0.003238 0.003268 3C 2dxz 0.001582 -0.007902 -0.002550 -0.000289 -0.004161 0.003269 3C 2dyz 0.000791 -0.004523 0.003402 -0.000724 0.005667 -0.004139 3C 2dx2y2 0.000204 -0.000786 -0.004156 -0.003314 -0.006281 0.005617 3C 2dxy -0.000764 0.003672 -0.001940 -0.001876 -0.002256 0.001994 3C 1f0 -0.000046 0.000212 -0.000540 -0.000396 -0.000702 0.000581 3C 1f+1 -0.000145 0.000789 -0.000212 -0.000037 -0.000433 0.000366 3C 1f-1 0.000013 -0.000101 0.000595 0.000204 0.001157 -0.001020 3C 1f+2 0.000041 -0.000206 0.000022 -0.000170 0.000057 0.000023 3C 1f-2 0.000018 -0.000110 0.000102 -0.000157 0.000341 -0.000271 3C 1f+3 0.000150 -0.000786 -0.000295 0.000227 -0.000374 0.000171 3C 1f-3 0.000224 -0.001167 -0.000021 -0.000292 -0.000123 0.000240 4C 1s -0.000119 0.000094 0.000252 -0.000279 -0.001442 0.000085 4C 2s -0.000261 0.000200 0.000559 -0.000631 -0.003253 0.000189 4C 3s 0.000998 -0.000147 -0.001160 0.001570 0.008919 -0.000578 4C 4s -0.001416 -0.001254 -0.000684 -0.002073 -0.014022 0.001243 4C 5s 0.011445 0.000040 -0.004535 -0.005880 0.010884 -0.006353 4C 1pz -0.024397 -0.004968 -0.009737 -0.041758 -0.007822 -0.037169 4C 1px 0.060331 0.010887 -0.006401 -0.025076 0.002555 -0.024176 4C 1py 0.008162 0.001657 0.021797 0.061992 -0.030206 0.064887 4C 2pz -0.016624 -0.003651 -0.006783 -0.033569 -0.003625 -0.030959 4C 2px 0.030143 0.005408 -0.003843 -0.019463 0.002272 -0.020207 4C 2py 0.001577 0.000326 0.015281 0.050378 -0.022826 0.053098 4C 3pz -0.009277 -0.001414 -0.000801 -0.007909 -0.008840 -0.006291 4C 3px -0.000761 0.001025 -0.003430 -0.008492 -0.002259 -0.007268 4C 3py -0.005818 -0.000994 0.018859 0.025541 -0.014382 0.020486 4C 1dz2 -0.004868 -0.000741 -0.004313 -0.005893 0.003244 -0.004851 4C 1dxz 0.009139 0.001382 -0.002332 -0.003371 0.002155 -0.002728 4C 1dyz -0.000250 -0.000227 0.002214 0.003642 0.000071 0.002628 4C 1dx2y2 0.000147 -0.000195 -0.002986 -0.005521 -0.000786 -0.003636 4C 1dxy 0.006564 0.001540 0.000264 0.000464 -0.000501 0.000212 4C 2dz2 -0.005403 -0.000804 -0.011351 -0.013447 0.004380 -0.009197 4C 2dxz 0.013023 0.001799 -0.006151 -0.007647 0.003752 -0.005466 4C 2dyz -0.000346 -0.000388 0.005602 0.006402 -0.003354 0.004886 4C 2dx2y2 -0.002112 -0.000621 -0.007750 -0.011067 -0.001094 -0.006822 4C 2dxy 0.008448 0.002002 0.001557 0.002174 -0.002380 0.001453 4C 1f0 0.001437 0.000332 0.001109 0.001572 0.000009 0.000967 4C 1f+1 -0.001230 -0.000295 0.001299 0.002243 0.000195 0.001661 4C 1f-1 0.000316 -0.000005 -0.000077 -0.000269 0.000060 -0.000202 4C 1f+2 -0.001305 -0.000271 0.000346 -0.000108 -0.000593 -0.000168 4C 1f-2 -0.001436 -0.000222 -0.000929 -0.001845 0.000528 -0.001710 4C 1f+3 -0.001767 -0.000225 0.000878 0.001994 -0.000552 0.001751 4C 1f-3 -0.000600 -0.000099 -0.001533 -0.002474 0.001391 -0.002205 5C 1s 0.000038 0.000352 -0.000104 -0.001461 0.000362 0.000121 5C 2s 0.000085 0.000757 -0.000228 -0.003291 0.000816 0.000271 5C 3s -0.000031 -0.001323 0.000934 0.009145 -0.001237 -0.001308 5C 4s -0.001406 -0.001232 -0.002063 -0.014666 -0.001514 0.003823 5C 5s 0.001409 -0.011421 0.009206 0.012058 0.010965 -0.011542 5C 1pz -0.003998 0.022273 -0.021354 -0.028095 -0.063286 0.065737 5C 1px 0.011394 -0.060827 -0.004475 -0.010615 -0.011942 0.014396 5C 1py 0.002970 -0.013961 -0.010539 0.005807 -0.046261 0.042222 5C 2pz -0.002170 0.011189 -0.015174 -0.021839 -0.051047 0.053889 5C 2px 0.006234 -0.029174 -0.002480 -0.007093 -0.010158 0.011671 5C 2py 0.001794 -0.007480 -0.006060 0.002560 -0.036366 0.034868 5C 3pz -0.000658 0.004649 -0.019463 -0.012210 -0.027706 0.023199 5C 3px -0.001150 0.000186 -0.005731 -0.005855 -0.007543 0.007346 5C 3py 0.001284 -0.007736 -0.000790 0.009122 -0.008007 0.004082 5C 1dz2 -0.000803 0.003080 -0.003907 -0.000654 -0.006256 0.004632 5C 1dxz 0.001315 -0.004867 -0.002018 0.000108 -0.003735 0.002542 5C 1dyz 0.000760 -0.004063 0.002469 0.000471 0.003985 -0.002891 5C 1dx2y2 0.001014 -0.004818 -0.003343 -0.003575 -0.004491 0.003981 5C 1dxy -0.001372 0.008701 -0.000507 -0.001539 -0.000426 0.000529 5C 2dz2 -0.001105 0.004071 -0.009426 -0.000225 -0.012137 0.007874 5C 2dxz 0.002117 -0.007261 -0.004973 -0.000421 -0.007421 0.004769 5C 2dyz 0.001390 -0.005901 0.007162 0.004590 0.008745 -0.006457 5C 2dx2y2 0.001491 -0.005697 -0.009541 -0.005837 -0.011269 0.008342 5C 2dxy -0.001864 0.010809 -0.002497 -0.001770 -0.002659 0.001692 5C 1f0 0.000115 -0.000902 0.000548 0.000715 0.000951 -0.000896 5C 1f+1 -0.000076 0.000592 0.001606 0.001169 0.002716 -0.002401 5C 1f-1 -0.000084 0.000744 -0.000483 -0.000060 -0.000108 -0.000239 5C 1f+2 -0.000335 0.002014 -0.001198 -0.000664 -0.002371 0.002042 5C 1f-2 -0.000016 -0.000315 -0.000378 -0.000517 -0.000134 0.000075 5C 1f+3 -0.000449 0.001868 -0.000384 0.000569 -0.000584 0.000277 5C 1f-3 -0.000324 0.001587 0.001412 -0.000013 0.002591 -0.001983 6C 1s 0.000028 0.000363 -0.000099 0.001455 -0.000368 0.000116 6C 2s 0.000064 0.000782 -0.000216 0.003277 -0.000830 0.000259 6C 3s -0.000001 -0.001369 0.000926 -0.009139 0.001234 -0.001288 6C 4s -0.001288 -0.001344 -0.002154 0.014781 0.001691 0.003847 6C 5s 0.001465 -0.011569 0.009088 -0.012023 -0.010797 -0.011485 6C 1pz 0.003930 -0.022611 0.021263 -0.028316 -0.063155 -0.065665 6C 1px -0.011390 0.061872 0.004372 -0.010629 -0.011891 -0.014375 6C 1py -0.002903 0.014199 0.010605 0.005576 -0.046324 -0.042337 6C 2pz 0.002173 -0.011335 0.015069 -0.021993 -0.050910 -0.053810 6C 2px -0.006348 0.029538 0.002449 -0.007094 -0.010156 -0.011691 6C 2py -0.001797 0.007630 0.006124 0.002366 -0.036434 -0.034971 6C 3pz 0.000643 -0.004688 0.019341 -0.012230 -0.027596 -0.023148 6C 3px 0.001105 -0.000045 0.005717 -0.005847 -0.007539 -0.007367 6C 3py -0.001215 0.007737 0.000923 0.008917 -0.008111 -0.004113 6C 1dz2 -0.000802 0.003133 -0.003902 0.000680 0.006250 0.004641 6C 1dxz 0.001311 -0.004959 -0.002027 -0.000088 0.003747 0.002549 6C 1dyz 0.000760 -0.004143 0.002472 -0.000489 -0.003986 -0.002895 6C 1dx2y2 0.001012 -0.004907 -0.003324 0.003588 0.004474 0.003967 6C 1dxy -0.001369 0.008872 -0.000519 0.001539 0.000430 0.000519 6C 2dz2 -0.001117 0.004097 -0.009417 0.000280 0.012122 0.007883 6C 2dxz 0.002122 -0.007390 -0.005030 0.000479 0.007495 0.004811 6C 2dyz 0.001388 -0.005997 0.007163 -0.004649 -0.008751 -0.006446 6C 2dx2y2 0.001474 -0.005762 -0.009510 0.005853 0.011229 0.008323 6C 2dxy -0.001901 0.011027 -0.002501 0.001762 0.002645 0.001669 6C 1f0 -0.000114 0.000914 -0.000546 0.000717 0.000947 0.000890 6C 1f+1 0.000077 -0.000602 -0.001607 0.001182 0.002720 0.002407 6C 1f-1 0.000083 -0.000761 0.000485 -0.000060 -0.000109 0.000240 6C 1f+2 0.000333 -0.002060 0.001199 -0.000674 -0.002368 -0.002039 6C 1f-2 0.000018 0.000330 0.000378 -0.000520 -0.000135 -0.000074 6C 1f+3 0.000450 -0.001912 0.000385 0.000567 -0.000582 -0.000280 6C 1f-3 0.000318 -0.001626 -0.001409 -0.000003 0.002586 0.001983 7C 1s -0.000100 0.000089 0.000252 0.000273 0.001437 0.000087 7C 2s -0.000218 0.000191 0.000559 0.000620 0.003243 0.000193 7C 3s 0.000932 -0.000134 -0.001152 -0.001566 -0.008888 -0.000572 7C 4s -0.001588 -0.001214 -0.000645 0.002119 0.013989 0.001195 7C 5s 0.012237 0.000181 -0.003749 0.004705 -0.010610 -0.005546 7C 1pz 0.025284 0.005031 0.009839 -0.041970 -0.007760 0.037504 7C 1px -0.062440 -0.011089 0.006298 -0.025015 0.002526 0.024254 7C 1py -0.008252 -0.001666 -0.021599 0.061756 -0.030092 -0.065046 7C 2pz 0.017082 0.003661 0.006924 -0.033803 -0.003558 0.031270 7C 2px -0.031000 -0.005436 0.003767 -0.019398 0.002254 0.020255 7C 2py -0.001469 -0.000311 -0.015108 0.050176 -0.022714 -0.053226 7C 3pz 0.009754 0.001467 0.001174 -0.008867 -0.008678 0.006868 7C 3px 0.000508 -0.001071 0.003380 -0.008508 -0.002259 0.007292 7C 3py 0.006144 0.001027 -0.018589 0.024955 -0.014314 -0.020263 7C 1dz2 -0.005038 -0.000753 -0.004308 0.005904 -0.003237 -0.004882 7C 1dxz 0.009486 0.001416 -0.002301 0.003352 -0.002140 -0.002735 7C 1dyz -0.000274 -0.000229 0.002171 -0.003591 -0.000086 0.002596 7C 1dx2y2 0.000141 -0.000196 -0.002998 0.005542 0.000780 -0.003673 7C 1dxy 0.006828 0.001562 0.000270 -0.000457 0.000501 0.000216 7C 2dz2 -0.005594 -0.000808 -0.011309 0.013440 -0.004374 -0.009243 7C 2dxz 0.013474 0.001842 -0.006075 0.007594 -0.003726 -0.005469 7C 2dyz -0.000382 -0.000388 0.005516 -0.006304 0.003329 0.004828 7C 2dx2y2 -0.002171 -0.000624 -0.007821 0.011197 0.001052 -0.006955 7C 2dxy 0.008701 0.002014 0.001572 -0.002166 0.002373 0.001465 7C 1f0 -0.001505 -0.000338 -0.001108 0.001573 0.000008 -0.000976 7C 1f+1 0.001300 0.000303 -0.001290 0.002242 0.000195 -0.001670 7C 1f-1 -0.000343 0.000001 0.000060 -0.000251 0.000055 0.000192 7C 1f+2 0.001355 0.000275 -0.000337 -0.000118 -0.000589 0.000177 7C 1f-2 0.001509 0.000230 0.000921 -0.001840 0.000527 0.001713 7C 1f+3 0.001842 0.000233 -0.000869 0.001987 -0.000549 -0.001758 7C 1f-3 0.000618 0.000100 0.001533 -0.002478 0.001390 0.002217 8C 1s 0.000089 -0.000444 0.000318 0.000428 -0.000521 -0.000220 8C 2s 0.000192 -0.000956 0.000680 0.000999 -0.001144 -0.000477 8C 3s -0.000278 0.001362 -0.000909 -0.000932 0.001574 0.000841 8C 4s -0.000457 0.002938 -0.002903 -0.007564 0.004591 0.000616 8C 5s -0.001892 0.012952 -0.012869 0.017802 0.013959 0.016289 8C 1pz -0.011648 0.066432 -0.119343 0.048482 0.145786 0.100456 8C 1px 0.035697 -0.190480 -0.025256 0.016962 0.028818 0.021842 8C 1py 0.007948 -0.041257 -0.073213 0.004950 0.098337 0.062665 8C 2pz -0.009199 0.052438 -0.092143 0.039979 0.113524 0.079120 8C 2px 0.028132 -0.149508 -0.020156 0.014999 0.023141 0.017837 8C 2py 0.006540 -0.032389 -0.057267 0.000446 0.077532 0.048766 8C 3pz -0.003953 0.021475 -0.044021 0.012808 0.050409 0.032433 8C 3px 0.011862 -0.071190 -0.007754 0.004602 0.007712 0.006057 8C 3py 0.001725 -0.012567 -0.031442 0.004364 0.038844 0.025197 8C 1dz2 -0.000237 0.001174 0.001601 -0.000233 -0.001549 -0.000732 8C 1dxz 0.001702 -0.008875 -0.002528 0.000662 0.003761 0.002746 8C 1dyz 0.000886 -0.004878 0.003985 -0.000575 -0.005907 -0.004120 8C 1dx2y2 0.000022 0.000073 -0.004698 0.002448 0.006379 0.004852 8C 1dxy -0.000290 0.001789 -0.002768 0.001559 0.003463 0.002541 8C 2dz2 -0.000460 0.002279 -0.001060 0.001222 0.003245 0.003273 8C 2dxz 0.001560 -0.008019 -0.002614 0.000326 0.004245 0.003339 8C 2dyz 0.000814 -0.004679 0.003377 0.000716 -0.005624 -0.004121 8C 2dx2y2 0.000206 -0.000779 -0.004138 0.003344 0.006265 0.005602 8C 2dxy -0.000763 0.003776 -0.001977 0.001903 0.002300 0.002020 8C 1f0 0.000048 -0.000228 0.000541 -0.000400 -0.000704 -0.000582 8C 1f+1 0.000144 -0.000802 0.000204 -0.000034 -0.000421 -0.000357 8C 1f-1 -0.000016 0.000110 -0.000599 0.000211 0.001161 0.001024 8C 1f+2 -0.000040 0.000204 -0.000030 -0.000169 0.000065 -0.000016 8C 1f-2 -0.000017 0.000107 -0.000099 -0.000156 0.000336 0.000269 8C 1f+3 -0.000145 0.000784 0.000297 0.000227 -0.000377 -0.000176 8C 1f-3 -0.000225 0.001200 0.000029 -0.000295 -0.000136 -0.000249 9C 1s 0.000560 0.000095 -0.000186 0.000390 0.000485 -0.000147 9C 2s 0.001196 0.000201 -0.000393 0.000858 0.001134 -0.000312 9C 3s -0.001379 -0.000137 0.000520 -0.001065 -0.001216 0.000421 9C 4s -0.006321 -0.001485 0.002396 -0.005026 -0.007435 0.001629 9C 5s -0.012686 -0.000005 0.004523 -0.002247 0.014911 0.003058 9C 1pz -0.070130 -0.012038 -0.066665 0.088922 -0.002727 -0.056112 9C 1px 0.194163 0.033275 -0.041797 0.056067 -0.007550 -0.036066 9C 1py 0.029618 0.005078 0.119994 -0.143612 0.051864 0.098957 9C 2pz -0.052505 -0.009213 -0.052278 0.071061 0.001382 -0.044171 9C 2px 0.152515 0.026197 -0.032254 0.043885 -0.005088 -0.028196 9C 2py 0.024401 0.004374 0.093205 -0.112194 0.043023 0.078218 9C 3pz -0.020577 -0.003032 -0.027630 0.032587 -0.005060 -0.020424 9C 3px 0.069461 0.012072 -0.016242 0.020777 -0.001066 -0.012673 9C 3py 0.013854 0.001049 0.043576 -0.048285 0.015756 0.032478 9C 1dz2 -0.000783 -0.000141 -0.001663 0.002481 -0.001461 -0.002197 9C 1dxz 0.006562 0.001117 -0.004535 0.006168 -0.001954 -0.004491 9C 1dyz -0.003957 -0.000685 0.000627 -0.001617 -0.000756 0.001104 9C 1dx2y2 -0.006627 -0.001159 -0.002391 0.003633 -0.000590 -0.002698 9C 1dxy 0.002950 0.000554 0.005068 -0.006615 0.001536 0.004527 9C 2dz2 -0.002764 -0.000507 -0.002846 0.005028 -0.002900 -0.004890 9C 2dxz 0.006307 0.001065 -0.003410 0.004943 -0.001984 -0.004163 9C 2dyz -0.003605 -0.000610 0.001010 -0.002909 -0.001766 0.002051 9C 2dx2y2 -0.003451 -0.000639 -0.003103 0.005342 -0.000464 -0.004291 9C 2dxy 0.003592 0.000624 0.003605 -0.004385 0.000755 0.003081 9C 1f0 0.000884 0.000159 0.000689 -0.001159 0.000390 0.001040 9C 1f+1 -0.000068 -0.000007 -0.000192 0.000172 0.000189 -0.000012 9C 1f-1 -0.000158 -0.000011 -0.000008 0.000080 0.000386 0.000036 9C 1f+2 -0.000652 -0.000118 0.000171 -0.000563 -0.000115 0.000499 9C 1f-2 -0.000671 -0.000115 0.000316 -0.000448 0.000199 0.000374 9C 1f+3 -0.000132 -0.000035 0.000322 -0.000356 0.000223 0.000276 9C 1f-3 0.000683 0.000114 -0.000232 0.000461 0.000055 -0.000359 10H 1s -0.104646 -0.018304 0.012479 0.015516 -0.007342 0.010944 10H 2s -0.148201 -0.025852 0.018822 0.023519 -0.010875 0.016534 10H 3s -0.055574 -0.010393 0.006795 0.008785 -0.005445 0.007133 10H 1pz -0.005967 -0.001037 0.003370 0.004235 -0.000694 0.002699 10H 1px 0.006575 0.001123 -0.000273 -0.000173 0.000684 -0.000201 10H 1py -0.003712 -0.000629 -0.003883 -0.004636 0.001585 -0.003186 11H 1s 0.036542 0.006269 -0.070015 -0.090644 0.018979 -0.060771 11H 2s 0.051974 0.009074 -0.101883 -0.133814 0.028467 -0.090106 11H 3s 0.019008 0.001749 -0.034775 -0.051845 0.012643 -0.038207 11H 1pz 0.005735 0.001003 -0.004199 -0.004914 0.001519 -0.003130 11H 1px -0.002976 -0.000493 -0.005566 -0.006864 0.001621 -0.004501 11H 1py -0.003560 -0.000644 0.000554 0.001163 0.000516 0.000678 12H 1s 0.065704 0.011608 0.059028 0.072364 -0.023964 0.050188 12H 2s 0.093244 0.016384 0.084876 0.105214 -0.034587 0.073060 12H 3s 0.033729 0.007007 0.031389 0.044544 -0.012728 0.032672 12H 1pz 0.000104 0.000038 0.000379 0.000571 0.000765 0.000109 12H 1px -0.002256 -0.000400 0.005303 0.006487 -0.001732 0.004289 12H 1py 0.007722 0.001349 0.003632 0.004124 -0.001300 0.002649 13H 1s -0.019527 0.102583 -0.020465 -0.009791 -0.024957 0.017538 13H 2s -0.027150 0.143288 -0.030157 -0.014346 -0.036881 0.025827 13H 3s -0.011266 0.053105 -0.008851 -0.005339 -0.012301 0.009534 13H 1pz -0.001440 0.007545 0.002018 0.000621 0.002591 -0.001804 13H 1px 0.000648 -0.003606 0.002993 0.001555 0.003509 -0.002483 13H 1py 0.000716 -0.003749 0.003603 0.000626 0.004516 -0.002878 14H 1s 0.014812 -0.075143 -0.052485 -0.021531 -0.065695 0.046321 14H 2s 0.020715 -0.105898 -0.075451 -0.030880 -0.095549 0.067446 14H 3s 0.009053 -0.039029 -0.026667 -0.012844 -0.038443 0.028616 14H 1pz 0.001490 -0.007835 0.000287 0.000099 0.000508 -0.000407 14H 1px 0.000627 -0.003185 -0.005888 -0.002056 -0.007161 0.004816 14H 1py 0.000048 -0.000414 0.001385 -0.000349 0.001805 -0.000955 15H 1s 0.004498 -0.025968 0.071983 0.019513 0.093732 -0.063608 15H 2s 0.006477 -0.036795 0.105163 0.029422 0.139030 -0.094779 15H 3s 0.001900 -0.014766 0.036162 0.014490 0.053384 -0.040841 15H 1pz -0.000041 0.000189 -0.002870 -0.000193 -0.004020 0.002582 15H 1px -0.001140 0.005950 0.003104 0.001162 0.003716 -0.002515 15H 1py -0.000822 0.004458 -0.005762 -0.001966 -0.006889 0.004486 16H 1s 0.008268 0.006151 0.000950 0.000345 -0.000841 -0.000013 16H 2s 0.010222 0.006777 0.001908 0.000860 0.001877 0.000131 16H 3s -0.001367 0.003531 0.000802 -0.000112 -0.001271 -0.000047 16H 1pz 0.000728 0.000492 0.000085 -0.000073 0.000319 -0.000025 16H 1px 0.001404 0.001763 0.000035 0.000097 -0.000082 -0.000001 16H 1py 0.000470 -0.000180 0.000085 0.000252 0.000008 0.000028 17H 1s 0.001599 0.009818 0.000915 0.001138 -0.000169 0.000022 17H 2s 0.000964 0.011762 0.002644 -0.001005 0.000747 0.000182 17H 3s 0.003363 0.000269 0.001095 0.001524 -0.000277 -0.000110 17H 1pz -0.000771 -0.001830 -0.000094 0.000025 -0.000170 -0.000053 17H 1px 0.000645 0.001093 -0.000146 0.000225 -0.000195 -0.000021 17H 1py -0.000317 0.000566 0.000090 -0.000094 -0.000106 0.000022 18H 1s 0.001043 0.010037 0.000872 -0.001143 0.000156 0.000030 18H 2s 0.000292 0.012068 0.002672 0.000996 -0.000701 0.000190 18H 3s 0.003272 0.000443 0.001144 -0.001555 0.000245 -0.000085 18H 1pz 0.000673 0.001884 0.000093 0.000022 -0.000166 0.000055 18H 1px -0.000627 -0.001103 0.000161 0.000227 -0.000189 0.000021 18H 1py 0.000307 -0.000508 -0.000086 -0.000087 -0.000106 -0.000024 19H 1s 0.007826 0.006537 0.000942 -0.000378 0.000842 -0.000013 19H 2s 0.009616 0.007269 0.001795 -0.000815 -0.001879 0.000136 19H 3s -0.001598 0.003560 0.000726 0.000110 0.001298 -0.000036 19H 1pz -0.000680 -0.000542 -0.000073 -0.000079 0.000317 0.000022 19H 1px -0.001340 -0.001809 -0.000043 0.000106 -0.000080 0.000000 19H 1py -0.000538 0.000169 -0.000090 0.000256 0.000014 -0.000032 20H 1s 0.004673 -0.027295 0.071827 -0.019866 -0.093517 -0.063525 20H 2s 0.006719 -0.038617 0.104921 -0.029932 -0.138686 -0.094632 20H 3s 0.001945 -0.015352 0.036162 -0.014726 -0.053367 -0.040862 20H 1pz 0.000059 -0.000272 0.002864 -0.000208 -0.004013 -0.002581 20H 1px 0.001123 -0.006026 -0.003169 0.001198 0.003806 0.002578 20H 1py 0.000835 -0.004627 0.005718 -0.001980 -0.006829 -0.004449 21H 1s 0.014603 -0.076235 -0.052725 0.021924 0.066110 0.046654 21H 2s 0.020409 -0.107424 -0.075813 0.031462 0.096175 0.067945 21H 3s 0.008956 -0.039565 -0.026814 0.013030 0.038707 0.028809 21H 1pz -0.001485 0.008023 -0.000223 0.000074 0.000423 0.000348 21H 1px -0.000598 0.003143 0.005902 -0.002091 -0.007184 -0.004836 21H 1py -0.000051 0.000433 -0.001365 -0.000349 0.001778 0.000939 22H 1s -0.019464 0.105013 -0.020002 0.009702 0.024263 0.017056 22H 2s -0.027085 0.146776 -0.029454 0.014211 0.035830 0.025093 22H 3s -0.011215 0.054370 -0.008586 0.005307 0.011848 0.009209 22H 1pz 0.001423 -0.007669 -0.002077 0.000657 0.002669 0.001859 22H 1px -0.000659 0.003758 -0.002941 0.001553 0.003441 0.002438 22H 1py -0.000730 0.003903 -0.003588 0.000644 0.004496 0.002870 23H 1s 0.067359 0.011652 0.059589 -0.073223 0.024159 0.051026 23H 2s 0.095692 0.016457 0.085694 -0.106506 0.034877 0.074320 23H 3s 0.034525 0.007005 0.031725 -0.045110 0.012832 0.033284 23H 1pz -0.000096 -0.000036 -0.000342 0.000523 0.000777 -0.000076 23H 1px 0.002552 0.000446 -0.005205 0.006396 -0.001695 -0.004249 23H 1py -0.007985 -0.001367 -0.003774 0.004304 -0.001345 -0.002779 24H 1s 0.039583 0.006710 -0.069331 0.090090 -0.018792 -0.060699 24H 2s 0.056285 0.009706 -0.100906 0.132987 -0.028204 -0.090002 24H 3s 0.020602 0.001950 -0.034517 0.051641 -0.012512 -0.038195 24H 1pz -0.006100 -0.001050 0.004083 -0.004795 0.001484 0.003070 24H 1px 0.002903 0.000467 0.005620 -0.006948 0.001635 0.004580 24H 1py 0.003766 0.000668 -0.000433 0.001016 0.000552 -0.000584 25H 1s -0.109404 -0.018791 0.011207 -0.014116 0.006939 0.010076 25H 2s -0.154877 -0.026531 0.016959 -0.021453 0.010297 0.015259 25H 3s -0.057900 -0.010579 0.006207 -0.008117 0.005238 0.006679 25H 1pz 0.006311 0.001078 -0.003283 0.004152 -0.000677 -0.002661 25H 1px -0.006858 -0.001151 0.000119 0.000004 0.000635 0.000088 25H 1py 0.003720 0.000617 0.003906 -0.004669 0.001601 0.003223 26O 1s 0.002028 0.000255 0.000025 0.000593 0.001902 -0.000044 26O 2s 0.004753 0.000587 0.000050 0.001426 0.004623 -0.000111 26O 3s -0.006034 -0.000628 0.000094 -0.002281 -0.008212 0.000231 26O 4s -0.011711 -0.001700 -0.000991 -0.003565 -0.006878 -0.000167 26O 5s -0.018262 -0.001794 -0.002103 -0.003580 -0.006976 0.000125 26O 1pz 0.010465 -0.002479 -0.037070 -0.064541 0.027678 -0.054789 26O 1px -0.086158 -0.017480 -0.024034 -0.040980 0.016523 -0.033731 26O 1py -0.025810 0.001670 0.056377 0.111376 -0.016251 0.087523 26O 2pz 0.008103 -0.002346 -0.030548 -0.054250 0.022397 -0.045917 26O 2px -0.070091 -0.014366 -0.019513 -0.034473 0.012251 -0.028293 26O 2py -0.021466 0.001393 0.047228 0.093992 -0.014905 0.074029 26O 3pz 0.008577 -0.000507 -0.021638 -0.035780 0.013750 -0.030547 26O 3px -0.040047 -0.008537 -0.012051 -0.022681 -0.000344 -0.017982 26O 3py -0.009905 0.002313 0.030135 0.056800 -0.012033 0.045222 26O 1dz2 -0.000997 -0.000186 -0.000426 -0.000151 0.000345 -0.000056 26O 1dxz 0.000053 0.000055 0.000390 0.001140 -0.000289 0.001049 26O 1dyz -0.000022 0.000037 0.000371 0.000546 0.000017 0.000364 26O 1dx2y2 0.001281 0.000232 0.000492 0.001354 -0.000662 0.001323 26O 1dxy 0.001066 0.000144 -0.000791 -0.001787 0.000211 -0.001485 26O 2dz2 -0.002915 -0.000647 -0.001790 -0.002041 0.000420 -0.000977 26O 2dxz -0.001079 -0.000149 0.000623 0.002329 -0.000800 0.002482 26O 2dyz -0.002017 -0.000205 0.001470 0.002484 -0.000941 0.001763 26O 2dx2y2 0.003320 0.000521 0.000603 0.002680 -0.000850 0.003026 26O 2dxy 0.001642 0.000170 -0.002325 -0.005281 0.001060 -0.004362 26O 1f0 0.000172 0.000048 -0.000012 0.000213 -0.000054 0.000261 26O 1f+1 0.000551 0.000082 -0.000023 -0.000064 -0.000027 -0.000047 26O 1f-1 0.000381 0.000058 -0.000246 -0.000514 0.000042 -0.000430 26O 1f+2 -0.000265 -0.000113 -0.000350 -0.000697 0.000182 -0.000596 26O 1f-2 -0.000084 -0.000010 -0.000256 -0.000460 0.000089 -0.000374 26O 1f+3 0.000190 0.000100 0.000543 0.001260 -0.000358 0.001149 26O 1f-3 0.000671 0.000125 -0.000203 -0.000523 0.000118 -0.000470 27O 1s 0.000329 -0.002373 -0.000041 0.001889 -0.000747 0.000169 27O 2s 0.000760 -0.005564 -0.000086 0.004593 -0.001790 0.000398 27O 3s -0.000805 0.007016 -0.000070 -0.008153 0.002753 -0.000476 27O 4s -0.002343 0.014963 0.001128 -0.006733 0.004553 -0.001521 27O 5s -0.004205 0.020118 0.002106 -0.008703 0.006503 -0.003902 27O 1pz 0.009639 -0.016225 -0.055406 -0.026758 -0.105709 0.087531 27O 1px -0.015770 0.090607 -0.009025 0.001821 -0.019280 0.014029 27O 1py 0.004773 -0.003065 -0.039807 -0.035424 -0.068847 0.061502 27O 2pz 0.007948 -0.012888 -0.046178 -0.023041 -0.089121 0.073906 27O 2px -0.012502 0.073573 -0.008023 -0.000283 -0.016765 0.012649 27O 2py 0.004059 -0.002331 -0.032755 -0.028668 -0.057805 0.051477 27O 3pz 0.005490 -0.009942 -0.028996 -0.013868 -0.053823 0.045164 27O 3px -0.007590 0.041086 -0.005169 -0.007758 -0.009369 0.008117 27O 3py 0.002795 0.001236 -0.023201 -0.017398 -0.037871 0.033989 27O 1dz2 -0.000153 0.001007 -0.000489 0.000008 -0.000495 0.000281 27O 1dxz -0.000098 0.000335 0.000750 0.000655 0.001909 -0.001771 27O 1dyz 0.000009 -0.000102 0.000032 -0.000219 -0.000230 0.000310 27O 1dx2y2 0.000303 -0.001730 0.000011 -0.000266 0.000593 -0.000500 27O 1dxy -0.000126 0.000501 0.000567 0.000433 0.001298 -0.001189 27O 2dz2 -0.000001 0.001591 -0.002259 -0.000871 -0.003359 0.002158 27O 2dxz -0.000349 0.001920 0.001766 0.001314 0.004936 -0.004737 27O 2dyz 0.000306 -0.001700 0.000382 0.000299 -0.000184 0.000615 27O 2dx2y2 0.000796 -0.004449 -0.000615 -0.000039 0.000322 -0.000783 27O 2dxy 0.000136 -0.000987 0.001465 0.001376 0.003547 -0.003281 27O 1f0 -0.000071 0.000154 0.000317 0.000301 0.000778 -0.000746 27O 1f+1 0.000134 -0.000556 0.000079 0.000030 0.000225 -0.000185 27O 1f-1 -0.000048 0.000122 0.000297 0.000160 0.000426 -0.000339 27O 1f+2 0.000033 0.000015 -0.000458 -0.000264 -0.000988 0.000901 27O 1f-2 -0.000094 0.000215 0.000265 0.000212 0.000558 -0.000514 27O 1f+3 0.000075 -0.000622 0.000243 0.000136 0.000586 -0.000553 27O 1f-3 -0.000119 0.000456 0.000281 0.000209 0.000716 -0.000682 28O 1s -0.002369 -0.000672 -0.000107 0.000602 0.001913 0.000088 28O 2s -0.005521 -0.001585 -0.000252 0.001465 0.004642 0.000215 28O 3s 0.006333 0.002050 0.000331 -0.002582 -0.008134 -0.000366 28O 4s 0.017909 0.004832 0.000858 -0.002364 -0.007128 -0.000412 28O 5s 0.023745 0.004296 -0.001484 -0.004246 -0.009531 -0.001794 28O 1pz 0.050982 0.013122 -0.032609 -0.051438 0.030467 -0.049271 28O 1px -0.083223 -0.013027 -0.019429 -0.031896 0.010462 -0.028472 28O 1py -0.001166 -0.005693 0.049330 0.088028 -0.018347 0.077433 28O 2pz 0.039760 0.010489 -0.027103 -0.043792 0.023998 -0.041494 28O 2px -0.066111 -0.010264 -0.016318 -0.026957 0.009811 -0.024274 28O 2py -0.001071 -0.004934 0.041834 0.075124 -0.016459 0.065947 28O 3pz 0.023062 0.005220 -0.018752 -0.028146 0.011088 -0.025816 28O 3px -0.036499 -0.004938 -0.010733 -0.014603 0.012045 -0.015284 28O 3py -0.000207 -0.003764 0.024606 0.042884 -0.009677 0.039320 28O 1dz2 0.000105 0.000028 0.000114 0.000971 -0.000189 0.000973 28O 1dxz 0.001800 0.000365 -0.000394 -0.000454 0.000522 -0.000476 28O 1dyz -0.000052 0.000012 -0.000284 -0.000907 0.000393 -0.000916 28O 1dx2y2 -0.001288 -0.000225 -0.000485 -0.000630 -0.000068 -0.000460 28O 1dxy 0.000120 -0.000007 0.000675 0.001516 -0.000358 0.001397 28O 2dz2 0.001963 0.000508 -0.000410 0.001187 -0.000628 0.001885 28O 2dxz 0.003133 0.000736 -0.001689 -0.002591 0.000966 -0.002010 28O 2dyz 0.002267 0.000431 -0.000455 -0.002111 0.000187 -0.002264 28O 2dx2y2 -0.003395 -0.000532 -0.001958 -0.002866 0.000886 -0.002123 28O 2dxy -0.000194 -0.000086 0.002083 0.004706 -0.001366 0.004290 28O 1f0 -0.000254 0.000022 -0.000271 -0.000453 0.000147 -0.000475 28O 1f+1 -0.000404 -0.000092 0.000292 0.000757 -0.000218 0.000743 28O 1f-1 -0.000048 0.000013 -0.000021 0.000055 -0.000085 0.000100 28O 1f+2 0.000679 0.000112 -0.000160 -0.000189 0.000116 -0.000175 28O 1f-2 -0.000151 0.000026 -0.000435 -0.000908 0.000257 -0.000875 28O 1f+3 0.000256 0.000068 0.000102 0.000183 -0.000035 0.000128 28O 1f-3 -0.000172 -0.000002 -0.000335 -0.000785 0.000239 -0.000745 29O 1s 0.001436 0.002321 0.000370 0.000206 -0.000088 -0.000011 29O 2s 0.003450 0.005579 0.000898 0.000496 -0.000205 -0.000024 29O 3s -0.005325 -0.008696 -0.001461 -0.000823 0.000277 -0.000003 29O 4s -0.007775 -0.012044 -0.001491 -0.001086 0.001062 0.000316 29O 5s -0.007475 -0.013398 -0.004670 0.000105 -0.003461 -0.000704 29O 1pz -0.018234 -0.010436 -0.001450 -0.000524 0.002045 -0.000017 29O 1px 0.019859 0.039447 0.002751 0.004455 -0.002747 0.000319 29O 1py -0.008976 -0.015748 -0.002932 -0.000723 -0.000175 0.000166 29O 2pz -0.014664 -0.008975 -0.001240 -0.000590 0.001736 -0.000046 29O 2px 0.016846 0.032938 0.002279 0.003895 -0.002724 0.000170 29O 2py -0.007290 -0.012720 -0.002290 -0.000320 -0.000413 0.000158 29O 3pz -0.009635 -0.006762 -0.001166 0.002196 0.003266 0.000014 29O 3px 0.012192 0.023580 0.001103 0.003631 -0.000623 0.000586 29O 3py -0.004663 -0.007696 -0.000744 -0.002579 0.002918 0.000285 29O 1dz2 0.000180 -0.000063 0.000012 -0.000009 -0.000011 -0.000000 29O 1dxz -0.000203 0.000053 0.000007 0.000010 0.000029 0.000001 29O 1dyz 0.000310 0.000088 0.000011 0.000031 -0.000008 -0.000002 29O 1dx2y2 -0.000043 0.000076 -0.000008 0.000028 -0.000015 0.000005 29O 1dxy -0.000242 -0.000592 -0.000063 -0.000056 0.000040 -0.000002 29O 2dz2 0.000512 -0.000203 0.000126 -0.000039 -0.000230 -0.000001 29O 2dxz -0.000630 0.000156 0.000001 0.000152 0.000033 -0.000022 29O 2dyz 0.001029 0.000676 0.000043 -0.000272 -0.000313 0.000020 29O 2dx2y2 -0.000360 -0.000159 0.000098 0.000055 0.000026 0.000007 29O 2dxy -0.001247 -0.002546 -0.000111 -0.000405 0.000125 -0.000002 29O 1f0 -0.000197 -0.000191 0.000018 -0.000017 0.000056 0.000001 29O 1f+1 -0.000020 0.000179 -0.000026 0.000023 -0.000013 0.000003 29O 1f-1 -0.000116 -0.000104 -0.000020 -0.000008 0.000049 0.000001 29O 1f+2 0.000102 0.000099 -0.000002 0.000017 -0.000020 0.000002 29O 1f-2 0.000063 -0.000071 0.000026 -0.000029 -0.000010 0.000005 29O 1f+3 0.000043 0.000152 0.000042 0.000030 -0.000017 -0.000001 29O 1f-3 0.000097 0.000234 0.000024 0.000048 -0.000027 0.000001 30O 1s -0.000490 0.002046 -0.000206 0.001913 -0.000728 -0.000065 30O 2s -0.001152 0.004754 -0.000473 0.004656 -0.001736 -0.000176 30O 3s 0.001453 -0.005398 0.000357 -0.008356 0.002531 0.000582 30O 4s 0.003200 -0.014649 0.002945 -0.006271 0.005245 -0.001074 30O 5s 0.005797 -0.019834 0.003936 -0.008627 0.005311 -0.000861 30O 1pz 0.002123 -0.040028 -0.049103 -0.009985 -0.093795 0.079458 30O 1px -0.016284 0.077620 -0.011290 -0.001315 -0.019659 0.015003 30O 1py -0.011156 0.039726 -0.037679 -0.025787 -0.062966 0.056856 30O 2pz 0.001244 -0.032352 -0.042119 -0.009995 -0.080312 0.067950 30O 2px -0.013111 0.062479 -0.008840 -0.000156 -0.016224 0.012363 30O 2py -0.008803 0.031551 -0.030869 -0.020131 -0.052979 0.047660 30O 3pz 0.000217 -0.018374 -0.025508 -0.008976 -0.045542 0.040615 30O 3px -0.006824 0.035904 -0.004086 0.006084 -0.010607 0.006618 30O 3py -0.006193 0.020461 -0.020938 -0.008588 -0.035119 0.030599 30O 1dz2 0.000112 -0.000477 0.000320 0.000383 0.001367 -0.001349 30O 1dxz 0.000226 -0.001252 -0.000684 -0.000018 -0.001344 0.001127 30O 1dyz 0.000133 -0.000690 0.000135 -0.000029 -0.000125 0.000188 30O 1dx2y2 -0.000158 0.000670 -0.000143 -0.000108 0.000250 -0.000260 30O 1dxy -0.000293 0.001341 -0.000606 -0.000581 -0.001151 0.001097 30O 2dz2 0.000073 -0.000782 0.000185 0.000774 0.002518 -0.003019 30O 2dxz 0.000417 -0.003036 -0.002703 -0.001186 -0.005112 0.004172 30O 2dyz -0.000108 0.000775 0.000420 0.000395 0.000067 0.000202 30O 2dx2y2 -0.000727 0.003214 -0.001021 0.000144 -0.000767 0.000008 30O 2dxy -0.000552 0.003000 -0.001557 -0.000739 -0.003496 0.003062 30O 1f0 -0.000086 0.000325 -0.000073 0.000029 -0.000145 0.000136 30O 1f+1 0.000033 0.000070 0.000400 0.000257 0.001017 -0.000975 30O 1f-1 0.000048 0.000049 0.000467 0.000167 0.000879 -0.000813 30O 1f+2 0.000029 -0.000201 -0.000238 -0.000067 -0.000497 0.000428 30O 1f-2 0.000112 -0.000691 -0.000008 0.000020 -0.000114 0.000120 30O 1f+3 -0.000068 0.000247 -0.000096 -0.000097 -0.000371 0.000398 30O 1f-3 0.000087 -0.000554 0.000180 0.000133 0.000424 -0.000376 31O 1s -0.000479 0.002050 -0.000206 -0.001905 0.000723 -0.000065 31O 2s -0.001124 0.004760 -0.000472 -0.004636 0.001726 -0.000175 31O 3s 0.001403 -0.005376 0.000361 0.008323 -0.002527 0.000571 31O 4s 0.003158 -0.014742 0.002903 0.006240 -0.005157 -0.001017 31O 5s 0.005791 -0.019890 0.003929 0.008596 -0.005343 -0.000898 31O 1pz -0.002079 0.040899 0.048920 -0.010382 -0.093676 -0.079630 31O 1px 0.016193 -0.078792 0.011319 -0.001423 -0.019681 -0.015047 31O 1py 0.011093 -0.040479 0.037508 -0.026002 -0.062746 -0.056815 31O 2pz -0.001203 0.033052 0.041957 -0.010333 -0.080212 -0.068090 31O 2px 0.013031 -0.063442 0.008872 -0.000246 -0.016253 -0.012414 31O 2py 0.008744 -0.032142 0.030738 -0.020313 -0.052809 -0.047643 31O 3pz -0.000147 0.018783 0.025425 -0.009164 -0.045469 -0.040691 31O 3px 0.006702 -0.036514 0.004136 0.006013 -0.010636 -0.006690 31O 3py 0.006147 -0.020847 0.020843 -0.008709 -0.034981 -0.030583 31O 1dz2 0.000112 -0.000480 0.000318 -0.000387 -0.001364 -0.001348 31O 1dxz 0.000225 -0.001277 -0.000682 0.000024 0.001343 0.001129 31O 1dyz 0.000134 -0.000698 0.000135 0.000028 0.000125 0.000188 31O 1dx2y2 -0.000157 0.000683 -0.000142 0.000108 -0.000249 -0.000260 31O 1dxy -0.000291 0.001366 -0.000604 0.000585 0.001147 0.001096 31O 2dz2 0.000069 -0.000793 0.000182 -0.000784 -0.002515 -0.003020 31O 2dxz 0.000404 -0.003101 -0.002693 0.001208 0.005104 0.004175 31O 2dyz -0.000103 0.000782 0.000423 -0.000396 -0.000077 0.000193 31O 2dx2y2 -0.000719 0.003276 -0.001025 -0.000142 0.000771 0.000017 31O 2dxy -0.000536 0.003052 -0.001555 0.000752 0.003491 0.003067 31O 1f0 0.000084 -0.000332 0.000072 0.000028 -0.000143 -0.000136 31O 1f+1 -0.000033 -0.000072 -0.000398 0.000261 0.001015 0.000975 31O 1f-1 -0.000048 -0.000052 -0.000465 0.000170 0.000877 0.000815 31O 1f+2 -0.000030 0.000204 0.000237 -0.000070 -0.000496 -0.000428 31O 1f-2 -0.000111 0.000703 0.000008 0.000020 -0.000113 -0.000119 31O 1f+3 0.000068 -0.000248 0.000096 -0.000099 -0.000371 -0.000398 31O 1f-3 -0.000086 0.000563 -0.000180 0.000135 0.000424 0.000376 32O 1s 0.001244 0.002435 0.000360 -0.000210 0.000088 -0.000010 32O 2s 0.002985 0.005855 0.000873 -0.000507 0.000204 -0.000020 32O 3s -0.004579 -0.009131 -0.001420 0.000837 -0.000275 -0.000008 32O 4s -0.006819 -0.012639 -0.001449 0.001132 -0.001063 0.000302 32O 5s -0.006246 -0.014101 -0.004580 -0.000161 0.003434 -0.000710 32O 1pz 0.017437 0.010535 0.001407 -0.000585 0.002040 0.000024 32O 1px -0.018416 -0.040462 -0.002668 0.004586 -0.002690 -0.000355 32O 1py 0.007571 0.016667 0.002865 -0.000712 -0.000141 -0.000159 32O 2pz 0.014004 0.009057 0.001218 -0.000641 0.001731 0.000050 32O 2px -0.015641 -0.033785 -0.002205 0.004008 -0.002673 -0.000199 32O 2py 0.006134 0.013470 0.002238 -0.000300 -0.000381 -0.000154 32O 3pz 0.009237 0.006839 0.001287 0.002123 0.003251 -0.000012 32O 3px -0.011329 -0.024140 -0.001008 0.003684 -0.000584 -0.000598 32O 3py 0.003858 0.008210 0.000718 -0.002581 0.002936 -0.000277 32O 1dz2 0.000169 -0.000063 0.000011 0.000010 0.000011 -0.000000 32O 1dxz -0.000205 0.000063 0.000008 -0.000009 -0.000028 0.000002 32O 1dyz 0.000305 0.000096 0.000010 -0.000032 0.000008 -0.000002 32O 1dx2y2 -0.000039 0.000076 -0.000007 -0.000029 0.000014 0.000005 32O 1dxy -0.000219 -0.000605 -0.000062 0.000057 -0.000040 -0.000002 32O 2dz2 0.000496 -0.000229 0.000129 0.000022 0.000217 -0.000004 32O 2dxz -0.000619 0.000189 -0.000003 -0.000162 -0.000036 -0.000021 32O 2dyz 0.000991 0.000694 0.000056 0.000262 0.000327 0.000017 32O 2dx2y2 -0.000318 -0.000169 0.000097 -0.000065 -0.000030 0.000007 32O 2dxy -0.001159 -0.002605 -0.000099 0.000402 -0.000122 -0.000004 32O 1f0 0.000182 0.000189 -0.000018 -0.000017 0.000053 -0.000001 32O 1f+1 0.000023 -0.000184 0.000028 0.000024 -0.000013 -0.000002 32O 1f-1 0.000112 0.000118 0.000020 -0.000009 0.000051 -0.000002 32O 1f+2 -0.000103 -0.000112 0.000001 0.000019 -0.000022 -0.000002 32O 1f-2 -0.000070 0.000066 -0.000027 -0.000028 -0.000011 -0.000005 32O 1f+3 -0.000032 -0.000152 -0.000041 0.000029 -0.000016 0.000001 32O 1f-3 -0.000084 -0.000238 -0.000023 0.000048 -0.000026 -0.000001 33O 1s -0.002423 -0.000671 -0.000119 -0.000586 -0.001911 0.000080 33O 2s -0.005645 -0.001583 -0.000280 -0.001426 -0.004636 0.000197 33O 3s 0.006451 0.002039 0.000362 0.002532 0.008121 -0.000344 33O 4s 0.018392 0.004853 0.000976 0.002221 0.007127 -0.000329 33O 5s 0.024171 0.004222 -0.001350 0.003984 0.009571 -0.001688 33O 1pz -0.053005 -0.013324 0.032304 -0.051374 0.030319 0.049445 33O 1px 0.086099 0.013270 0.019479 -0.032014 0.010416 0.028603 33O 1py 0.001002 0.005632 -0.048926 0.087727 -0.018159 -0.077417 33O 2pz -0.041382 -0.010656 0.026895 -0.043795 0.023894 0.041680 33O 2px 0.068440 0.010467 0.016337 -0.027028 0.009764 0.024368 33O 2py 0.000977 0.004888 -0.041485 0.074859 -0.016301 -0.065933 33O 3pz -0.023865 -0.005340 0.018460 -0.027963 0.010969 0.025823 33O 3px 0.037805 0.005112 0.010725 -0.014574 0.011995 0.015307 33O 3py 0.000158 0.003749 -0.024437 0.042782 -0.009582 -0.039298 33O 1dz2 0.000115 0.000029 0.000112 -0.000971 0.000187 0.000979 33O 1dxz 0.001869 0.000371 -0.000390 0.000454 -0.000521 -0.000480 33O 1dyz -0.000046 0.000013 -0.000280 0.000902 -0.000391 -0.000915 33O 1dx2y2 -0.001338 -0.000229 -0.000486 0.000632 0.000069 -0.000461 33O 1dxy 0.000131 -0.000005 0.000670 -0.001512 0.000355 0.001400 33O 2dz2 0.002036 0.000518 -0.000404 -0.001191 0.000628 0.001896 33O 2dxz 0.003276 0.000752 -0.001687 0.002606 -0.000967 -0.002035 33O 2dyz 0.002348 0.000438 -0.000450 0.002100 -0.000182 -0.002268 33O 2dx2y2 -0.003540 -0.000547 -0.001957 0.002872 -0.000883 -0.002132 33O 2dxy -0.000204 -0.000086 0.002061 -0.004688 0.001356 0.004292 33O 1f0 0.000265 -0.000021 0.000269 -0.000453 0.000146 0.000475 33O 1f+1 0.000416 0.000093 -0.000291 0.000758 -0.000217 -0.000748 33O 1f-1 0.000048 -0.000014 0.000021 0.000054 -0.000084 -0.000098 33O 1f+2 -0.000705 -0.000114 0.000159 -0.000191 0.000117 0.000178 33O 1f-2 0.000154 -0.000026 0.000430 -0.000902 0.000254 0.000874 33O 1f+3 -0.000270 -0.000069 -0.000102 0.000184 -0.000035 -0.000128 33O 1f-3 0.000178 0.000002 0.000333 -0.000784 0.000238 0.000748 34O 1s 0.000336 -0.002387 -0.000042 -0.001888 0.000745 0.000171 34O 2s 0.000776 -0.005597 -0.000087 -0.004589 0.001786 0.000405 34O 3s -0.000828 0.007047 -0.000058 0.008141 -0.002756 -0.000497 34O 4s -0.002382 0.015039 0.001083 0.006745 -0.004485 -0.001486 34O 5s -0.004367 0.020284 0.002222 0.008699 -0.006644 -0.004050 34O 1pz -0.009673 0.016516 0.055463 -0.027241 -0.105737 -0.087502 34O 1px 0.015790 -0.092141 0.009227 0.001667 -0.019452 -0.014142 34O 1py -0.004695 0.003218 0.039777 -0.035664 -0.068777 -0.061360 34O 2pz -0.007980 0.013127 0.046206 -0.023443 -0.089129 -0.073874 34O 2px 0.012505 -0.074860 0.008191 -0.000410 -0.016913 -0.012744 34O 2py -0.003994 0.002464 0.032737 -0.028868 -0.057754 -0.051365 34O 3pz -0.005463 0.010201 0.029087 -0.014137 -0.053871 -0.045147 34O 3px 0.007432 -0.041692 0.005290 -0.007819 -0.009505 -0.008184 34O 3py -0.002750 -0.001338 0.023154 -0.017526 -0.037774 -0.033872 34O 1dz2 -0.000154 0.001024 -0.000491 -0.000004 0.000497 0.000283 34O 1dxz -0.000099 0.000343 0.000749 -0.000663 -0.001908 -0.001770 34O 1dyz 0.000008 -0.000109 0.000032 0.000220 0.000230 0.000311 34O 1dx2y2 0.000305 -0.001763 0.000015 0.000262 -0.000596 -0.000504 34O 1dxy -0.000126 0.000508 0.000567 -0.000437 -0.001297 -0.001189 34O 2dz2 -0.000002 0.001623 -0.002265 0.000885 0.003362 0.002157 34O 2dxz -0.000350 0.001960 0.001757 -0.001333 -0.004926 -0.004734 34O 2dyz 0.000301 -0.001738 0.000386 -0.000303 0.000180 0.000614 34O 2dx2y2 0.000788 -0.004544 -0.000603 0.000034 -0.000334 -0.000792 34O 2dxy 0.000134 -0.001000 0.001466 -0.001392 -0.003548 -0.003281 34O 1f0 0.000072 -0.000158 -0.000316 0.000304 0.000777 0.000744 34O 1f+1 -0.000132 0.000565 -0.000080 0.000032 0.000227 0.000188 34O 1f-1 0.000048 -0.000123 -0.000298 0.000162 0.000426 0.000338 34O 1f+2 -0.000032 -0.000013 0.000457 -0.000268 -0.000986 -0.000900 34O 1f-2 0.000095 -0.000220 -0.000267 0.000215 0.000559 0.000515 34O 1f+3 -0.000075 0.000634 -0.000246 0.000139 0.000589 0.000554 34O 1f-3 0.000118 -0.000463 -0.000280 0.000212 0.000715 0.000681 35O 1s 0.002019 0.000260 0.000013 -0.000579 -0.001900 -0.000049 35O 2s 0.004729 0.000601 0.000022 -0.001392 -0.004619 -0.000123 35O 3s -0.005953 -0.000649 0.000129 0.002234 0.008202 0.000244 35O 4s -0.011676 -0.001715 -0.000863 0.003438 0.006889 -0.000095 35O 5s -0.018354 -0.001850 -0.002176 0.003517 0.006964 0.000057 35O 1pz -0.010600 0.002420 0.037047 -0.064737 0.027604 0.055322 35O 1px 0.088834 0.017735 0.024026 -0.040961 0.016491 0.033960 35O 1py 0.026953 -0.001489 -0.056237 0.111311 -0.016154 -0.088024 35O 2pz -0.008205 0.002299 0.030548 -0.054445 0.022345 0.046384 35O 2px 0.072328 0.014583 0.019516 -0.034476 0.012234 0.028494 35O 2py 0.022418 -0.001245 -0.047086 0.093898 -0.014817 -0.074428 35O 3pz -0.008992 0.000440 0.021460 -0.035625 0.013654 0.030707 35O 3px 0.041232 0.008688 0.011955 -0.022608 -0.000358 0.018063 35O 3py 0.010183 -0.002204 -0.030180 0.056903 -0.012004 -0.045557 35O 1dz2 -0.001038 -0.000190 -0.000428 0.000153 -0.000344 -0.000058 35O 1dxz 0.000053 0.000055 0.000391 -0.001145 0.000289 0.001059 35O 1dyz -0.000035 0.000035 0.000370 -0.000547 -0.000018 0.000368 35O 1dx2y2 0.001321 0.000234 0.000491 -0.001354 0.000661 0.001331 35O 1dxy 0.001105 0.000148 -0.000787 0.001784 -0.000209 -0.001490 35O 2dz2 -0.003024 -0.000660 -0.001795 0.002053 -0.000423 -0.000999 35O 2dxz -0.001116 -0.000153 0.000626 -0.002340 0.000799 0.002505 35O 2dyz -0.002098 -0.000219 0.001461 -0.002484 0.000939 0.001774 35O 2dx2y2 0.003441 0.000538 0.000595 -0.002669 0.000847 0.003036 35O 2dxy 0.001713 0.000180 -0.002315 0.005272 -0.001052 -0.004379 35O 1f0 -0.000176 -0.000048 0.000012 0.000214 -0.000054 -0.000263 35O 1f+1 -0.000569 -0.000084 0.000023 -0.000065 -0.000028 0.000048 35O 1f-1 -0.000393 -0.000059 0.000244 -0.000513 0.000041 0.000432 35O 1f+2 0.000271 0.000112 0.000351 -0.000699 0.000182 0.000602 35O 1f-2 0.000085 0.000011 0.000256 -0.000463 0.000089 0.000378 35O 1f+3 -0.000194 -0.000100 -0.000542 0.001259 -0.000357 -0.001155 35O 1f-3 -0.000695 -0.000128 0.000201 -0.000522 0.000117 0.000470 96 97 98 99 100 101 -0.34690 -0.33723 -0.33476 -0.33048 -0.32911 -0.30659 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s -0.000030 0.000438 -0.001021 -0.005602 0.000396 -0.000533 0Rh 2s 0.000141 -0.001653 0.003969 0.021137 -0.001499 0.001995 0Rh 3s -0.000085 0.001513 -0.003452 -0.019316 0.001360 -0.001851 0Rh 4s -0.000599 0.007061 -0.016917 -0.089824 0.006355 -0.008507 0Rh 5s 0.000680 -0.005683 0.012950 0.068713 -0.004350 0.006665 0Rh 6s 0.000026 -0.010491 0.026082 0.144020 -0.011837 0.013393 0Rh 7s 0.002478 0.012089 -0.010892 -0.163866 0.010628 -0.020783 0Rh 8s -0.008967 -0.000661 -0.014951 0.016574 0.023139 0.008904 0Rh 1pz -0.000326 0.000119 -0.000269 0.000783 0.002278 0.000013 0Rh 1px -0.000211 0.000010 0.001302 -0.002494 -0.007463 -0.000259 0Rh 1py 0.000194 0.000006 0.000648 -0.000398 -0.001047 0.000266 0Rh 2pz 0.001102 -0.000404 0.000912 -0.002663 -0.007715 -0.000044 0Rh 2px 0.000718 -0.000038 -0.004418 0.008485 0.025268 0.000865 0Rh 2py -0.000656 -0.000026 -0.002197 0.001356 0.003527 -0.000902 0Rh 3pz -0.000866 0.000334 -0.000807 0.002390 0.006249 0.000034 0Rh 3px -0.000626 0.000088 0.003880 -0.007685 -0.020415 -0.000534 0Rh 3py 0.000551 0.000104 0.001830 -0.001252 -0.002540 0.000724 0Rh 4pz -0.001469 0.000530 -0.000970 0.002451 0.009817 -0.000025 0Rh 4px -0.000765 -0.000193 0.004740 -0.007558 -0.032275 -0.001564 0Rh 4py 0.000758 -0.000242 0.002889 -0.001063 -0.005659 0.001186 0Rh 5pz 0.000010 -0.000110 0.000037 0.002017 0.000162 0.000528 0Rh 5px -0.000381 0.000399 -0.000224 -0.006771 0.000076 0.000179 0Rh 5py 0.000213 0.000465 -0.001953 -0.001683 0.002898 -0.000045 0Rh 6pz 0.003863 -0.002225 0.001365 -0.009249 -0.000517 -0.006462 0Rh 6px 0.004512 -0.000304 0.004834 0.038836 -0.008265 0.008710 0Rh 6py -0.002428 -0.008544 0.044717 0.018705 -0.032593 0.000370 0Rh 1dz2 -0.055580 -0.027137 -0.021760 0.007696 0.009135 0.022685 0Rh 1dxz -0.024543 0.005375 -0.033992 0.010393 0.023023 -0.001622 0Rh 1dyz 0.028790 -0.070073 -0.009456 -0.000202 -0.001055 0.052357 0Rh 1dx2y2 -0.040437 -0.014612 0.049064 -0.018514 -0.029920 0.005367 0Rh 1dxy -0.005211 -0.027522 0.003862 -0.013083 0.007254 0.017023 0Rh 2dz2 0.001579 0.000713 0.000651 -0.000289 -0.000267 -0.000717 0Rh 2dxz 0.000730 -0.000149 0.001039 -0.000352 -0.000688 0.000039 0Rh 2dyz -0.000802 0.001882 0.000269 -0.000021 0.000019 -0.001646 0Rh 2dx2y2 0.001134 0.000420 -0.001466 0.000610 0.000868 -0.000151 0Rh 2dxy 0.000137 0.000734 -0.000159 0.000380 -0.000197 -0.000544 0Rh 3dz2 0.080629 0.039179 0.031062 -0.010735 -0.012983 -0.032543 0Rh 3dxz 0.035553 -0.007783 0.048849 -0.014631 -0.033183 0.002423 0Rh 3dyz -0.041846 0.101011 0.013627 0.000416 0.001584 -0.075157 0Rh 3dx2y2 0.058787 0.021031 -0.070382 0.026175 0.042982 -0.007818 0Rh 3dxy 0.007613 0.039718 -0.005422 0.018800 -0.010608 -0.024389 0Rh 4dz2 0.108638 0.053222 0.042543 -0.015582 -0.017884 -0.045453 0Rh 4dxz 0.047995 -0.010464 0.066410 -0.020813 -0.045030 0.003048 0Rh 4dyz -0.056093 0.137587 0.018653 0.000202 0.001793 -0.104764 0Rh 4dx2y2 0.078970 0.028743 -0.096036 0.037099 0.058527 -0.010453 0Rh 4dxy 0.010153 0.054045 -0.007704 0.025598 -0.013936 -0.034290 0Rh 5dz2 0.078954 0.039837 0.030337 -0.012254 -0.014095 -0.029094 0Rh 5dxz 0.034804 -0.007453 0.046527 -0.017334 -0.033489 0.002670 0Rh 5dyz -0.041511 0.101736 0.012977 0.000099 0.002348 -0.067586 0Rh 5dx2y2 0.057445 0.020368 -0.066771 0.029982 0.044421 -0.007795 0Rh 5dxy 0.007245 0.039785 -0.005100 0.020463 -0.009944 -0.021299 0Rh 1f0 -0.000147 0.000744 -0.000083 -0.001095 0.000965 -0.001416 0Rh 1f+1 0.000313 -0.000835 -0.000748 0.000602 -0.000553 0.001712 0Rh 1f-1 0.000005 0.001063 -0.000955 -0.000110 0.000224 -0.001661 0Rh 1f+2 0.000223 0.000585 -0.000161 0.001483 -0.001311 -0.000744 0Rh 1f-2 -0.000144 -0.001812 -0.001732 -0.000101 0.000233 0.003329 0Rh 1f+3 -0.000349 0.000073 0.000367 0.001846 -0.001704 0.000100 0Rh 1f-3 -0.000042 0.001386 -0.001755 0.000496 0.000029 -0.001739 1Rh 1s 0.000029 0.000440 -0.001020 -0.005596 -0.000468 0.000529 1Rh 2s -0.000136 -0.001658 0.003963 0.021117 0.001773 -0.001979 1Rh 3s 0.000081 0.001517 -0.003445 -0.019298 -0.001610 0.001837 1Rh 4s 0.000577 0.007080 -0.016891 -0.089739 -0.007521 0.008443 1Rh 5s -0.000661 -0.005699 0.012935 0.068655 0.005241 -0.006615 1Rh 6s 0.000003 -0.010520 0.026023 0.143861 0.013707 -0.013294 1Rh 7s -0.002488 0.012147 -0.010751 -0.163711 -0.012644 0.020690 1Rh 8s 0.008930 -0.000688 -0.015027 0.016567 -0.023200 -0.008760 1Rh 1pz -0.000343 -0.000105 0.000259 -0.000826 0.002280 0.000060 1Rh 1px -0.000216 -0.000022 -0.001277 0.002574 -0.007433 -0.000235 1Rh 1py 0.000191 0.000014 -0.000636 0.000397 -0.001042 0.000256 1Rh 2pz 0.001159 0.000356 -0.000878 0.002810 -0.007722 -0.000202 1Rh 2px 0.000733 0.000079 0.004335 -0.008757 0.025166 0.000786 1Rh 2py -0.000646 -0.000041 0.002157 -0.001351 0.003510 -0.000869 1Rh 3pz -0.000911 -0.000293 0.000769 -0.002514 0.006249 0.000158 1Rh 3px -0.000636 -0.000120 -0.003820 0.007904 -0.020332 -0.000471 1Rh 3py 0.000536 -0.000051 -0.001795 0.001248 -0.002523 0.000702 1Rh 4pz -0.001547 -0.000477 0.000966 -0.002624 0.009854 0.000191 1Rh 4px -0.000790 0.000137 -0.004609 0.007911 -0.032150 -0.001460 1Rh 4py 0.000764 0.000334 -0.002846 0.001053 -0.005652 0.001132 1Rh 5pz 0.000007 0.000125 -0.000130 -0.002049 0.000063 0.000521 1Rh 5px -0.000373 -0.000391 0.000165 0.006758 0.000094 0.000185 1Rh 5py 0.000183 -0.000473 0.001969 0.001679 0.002947 -0.000043 1Rh 6pz 0.004103 0.002030 -0.000273 0.009650 0.001416 -0.006802 1Rh 6px 0.004571 0.000198 -0.004112 -0.038624 -0.008000 0.008470 1Rh 6py -0.002386 0.008513 -0.044891 -0.018534 -0.033485 0.000635 1Rh 1dz2 0.055605 -0.027064 -0.021978 0.007753 -0.009317 -0.022730 1Rh 1dxz 0.024529 0.005364 -0.033507 0.010745 -0.022766 0.001715 1Rh 1dyz -0.028664 -0.070151 -0.009411 -0.000152 0.001164 -0.052346 1Rh 1dx2y2 0.040427 -0.014513 0.049108 -0.018813 0.030096 -0.005331 1Rh 1dxy 0.005265 -0.027482 0.003965 -0.012995 -0.007277 -0.017019 1Rh 2dz2 -0.001581 0.000711 0.000657 -0.000291 0.000271 0.000717 1Rh 2dxz -0.000729 -0.000149 0.001026 -0.000363 0.000680 -0.000041 1Rh 2dyz 0.000799 0.001885 0.000268 -0.000022 -0.000022 0.001646 1Rh 2dx2y2 -0.001133 0.000417 -0.001468 0.000619 -0.000873 0.000152 1Rh 2dxy -0.000139 0.000733 -0.000163 0.000377 0.000197 0.000543 1Rh 3dz2 -0.080659 0.039072 0.031382 -0.010814 0.013251 0.032612 1Rh 3dxz -0.035539 -0.007767 0.048142 -0.015142 0.032812 -0.002560 1Rh 3dyz 0.041664 0.101124 0.013561 0.000344 -0.001739 0.075139 1Rh 3dx2y2 -0.058775 0.020889 -0.070448 0.026605 -0.043242 0.007760 1Rh 3dxy -0.007690 0.039659 -0.005569 0.018672 0.010643 0.024388 1Rh 4dz2 -0.108697 0.053081 0.042964 -0.015697 0.018228 0.045533 1Rh 4dxz -0.047953 -0.010444 0.065478 -0.021497 0.044526 -0.003223 1Rh 4dyz 0.055850 0.137737 0.018568 0.000104 -0.002006 0.104745 1Rh 4dx2y2 -0.078947 0.028550 -0.096120 0.037685 -0.058859 0.010397 1Rh 4dxy -0.010260 0.053966 -0.007915 0.025427 0.013971 0.034266 1Rh 5dz2 -0.078958 0.039733 0.030646 -0.012343 0.014326 0.029185 1Rh 5dxz -0.034823 -0.007432 0.045781 -0.017854 0.033103 -0.002820 1Rh 5dyz 0.041311 0.101859 0.012892 0.000022 -0.002500 0.067563 1Rh 5dx2y2 -0.057438 0.020226 -0.066812 0.030425 -0.044603 0.007702 1Rh 5dxy -0.007324 0.039732 -0.005201 0.020347 0.010030 0.021348 1Rh 1f0 -0.000137 -0.000742 0.000073 0.001078 0.000968 -0.001449 1Rh 1f+1 0.000322 0.000836 0.000732 -0.000602 -0.000594 0.001688 1Rh 1f-1 0.000007 -0.001072 0.000944 0.000115 0.000211 -0.001681 1Rh 1f+2 0.000226 -0.000586 0.000182 -0.001470 -0.001285 -0.000756 1Rh 1f-2 -0.000144 0.001808 0.001733 0.000100 0.000245 0.003322 1Rh 1f+3 -0.000350 -0.000076 -0.000371 -0.001825 -0.001746 0.000099 1Rh 1f-3 -0.000042 -0.001385 0.001753 -0.000496 0.000029 -0.001729 2C 1s 0.000061 -0.005092 -0.001971 0.005150 0.000354 0.000045 2C 2s 0.000136 -0.011330 -0.004385 0.011469 0.000812 0.000111 2C 3s -0.000211 0.020684 0.008632 -0.021274 -0.000899 0.000071 2C 4s -0.000586 0.016258 0.003403 -0.015758 -0.003743 -0.001134 2C 5s 0.003952 0.049831 0.023866 0.028065 -0.025660 -0.016648 2C 1pz -0.008920 0.084023 0.027729 -0.081675 -0.001304 0.013785 2C 1px -0.002334 0.024562 0.020015 -0.020594 -0.015396 -0.035121 2C 1py 0.012531 0.052947 0.021259 -0.050108 -0.007892 -0.005563 2C 2pz -0.006865 0.065454 0.020509 -0.061184 -0.004542 0.011266 2C 2px -0.001892 0.018159 0.013900 -0.015562 -0.014160 -0.029827 2C 2py 0.009284 0.041005 0.015011 -0.037065 -0.007938 -0.005216 2C 3pz -0.011040 0.030171 0.010236 -0.013361 -0.005649 0.003666 2C 3px 0.002295 0.019974 0.014303 -0.013190 -0.004816 -0.013904 2C 3py 0.016768 0.018209 0.009390 -0.004764 -0.008001 -0.003745 2C 1dz2 0.000301 0.002827 0.001196 -0.002564 -0.000428 -0.000343 2C 1dxz 0.000220 0.001377 -0.000146 -0.001461 0.000498 0.001558 2C 1dyz -0.000299 0.004115 0.001743 -0.003750 -0.000686 -0.000835 2C 1dx2y2 0.000082 -0.001503 -0.000188 0.001587 -0.000425 -0.001343 2C 1dxy -0.000140 0.000785 -0.000067 -0.000792 0.000325 0.000863 2C 2dz2 0.000493 0.000839 0.000413 -0.000529 -0.001572 -0.000618 2C 2dxz 0.000475 0.001708 -0.000617 -0.001075 0.000344 0.001288 2C 2dyz -0.000391 0.000622 -0.000107 -0.000494 -0.001633 -0.000161 2C 2dx2y2 0.000666 -0.002589 -0.000681 0.001938 -0.000350 -0.000418 2C 2dxy -0.000530 -0.000365 -0.000909 0.000120 0.000219 0.001155 2C 1f0 0.000334 0.000067 0.000154 -0.000051 -0.000231 -0.000206 2C 1f+1 -0.000185 0.000544 0.000014 -0.000594 -0.000054 0.000195 2C 1f-1 -0.000155 0.000401 0.000111 -0.000410 -0.000204 -0.000146 2C 1f+2 -0.000028 -0.000292 -0.000112 0.000341 0.000090 0.000008 2C 1f-2 0.000186 -0.000026 -0.000338 0.000005 0.000073 0.000279 2C 1f+3 0.000241 0.000275 0.000008 -0.000293 -0.000040 0.000014 2C 1f-3 0.000013 0.000391 0.000212 -0.000430 -0.000108 -0.000194 3C 1s 0.000077 0.004791 -0.000981 0.005706 -0.000135 0.000074 3C 2s 0.000183 0.010636 -0.002184 0.012679 -0.000305 0.000146 3C 3s -0.000304 -0.019301 0.004473 -0.023356 -0.000388 0.000040 3C 4s -0.000307 -0.015098 0.000506 -0.017440 0.005116 -0.001972 3C 5s 0.001709 -0.051027 0.004102 0.013347 0.013645 0.010844 3C 1pz -0.007970 -0.039237 0.012258 -0.043934 0.007461 -0.009342 3C 1px -0.006785 -0.032126 -0.003510 -0.040608 -0.011947 0.023952 3C 1py -0.003978 0.081579 -0.018260 0.090345 -0.007052 0.006970 3C 2pz -0.006304 -0.031405 0.008146 -0.033245 0.008526 -0.007960 3C 2px -0.004563 -0.024277 -0.003010 -0.030203 -0.008445 0.019841 3C 2py -0.002283 0.062322 -0.011820 0.066988 -0.009411 0.006362 3C 3pz -0.006348 -0.006831 0.002366 0.001695 0.005482 -0.002734 3C 3px -0.014768 -0.019206 -0.000566 -0.016527 -0.003101 0.010989 3C 3py -0.009098 0.034683 -0.006750 0.023165 -0.007586 0.002083 3C 1dz2 0.000137 0.000660 -0.000275 0.000591 -0.000169 0.000235 3C 1dxz -0.000173 -0.001510 0.000904 -0.001386 0.000852 -0.001372 3C 1dyz -0.000107 0.003253 -0.000186 0.003652 0.000266 -0.000722 3C 1dx2y2 0.000322 0.002632 -0.000396 0.003050 -0.000113 -0.000025 3C 1dxy -0.000038 0.002229 -0.000764 0.002342 -0.000402 0.000439 3C 2dz2 0.000268 -0.001016 -0.000159 -0.001111 -0.000567 0.000388 3C 2dxz 0.000332 -0.001300 0.000915 -0.000583 0.001283 -0.000570 3C 2dyz 0.000044 0.000223 0.001244 0.000674 -0.001450 0.000174 3C 2dx2y2 0.000673 0.002121 0.000533 0.002088 -0.000309 -0.000248 3C 2dxy 0.000061 0.001002 -0.000726 0.000314 -0.001266 0.000689 3C 1f0 0.000249 0.000206 -0.000014 0.000230 -0.000077 -0.000062 3C 1f+1 -0.000168 -0.000201 -0.000052 -0.000307 -0.000029 0.000092 3C 1f-1 -0.000176 0.000164 0.000077 0.000260 -0.000056 -0.000034 3C 1f+2 -0.000037 -0.000048 0.000210 0.000021 -0.000076 -0.000030 3C 1f-2 0.000133 0.000262 -0.000112 0.000288 -0.000213 0.000200 3C 1f+3 0.000233 -0.000473 0.000233 -0.000509 0.000202 -0.000071 3C 1f-3 0.000134 0.000489 0.000197 0.000753 0.000085 -0.000082 4C 1s 0.000075 -0.010257 -0.003229 0.008070 -0.001525 0.000026 4C 2s 0.000143 -0.022740 -0.007208 0.017808 -0.003278 0.000061 4C 3s -0.000436 0.040249 0.013473 -0.026914 0.002708 -0.000609 4C 4s 0.001531 0.052977 0.008738 -0.060950 0.028304 0.001315 4C 5s 0.002575 -0.004208 0.003008 -0.053928 0.012253 0.007606 4C 1pz 0.003858 -0.056400 -0.019354 0.057696 0.010428 0.013761 4C 1px 0.000534 -0.010348 -0.014169 0.008733 -0.000171 -0.048283 4C 1py -0.004465 -0.037979 -0.016321 0.037464 0.007792 -0.009133 4C 2pz 0.002395 -0.046613 -0.016842 0.041618 0.007803 0.002925 4C 2px 0.002211 -0.007212 -0.018569 0.003297 0.004550 -0.013070 4C 2py -0.002847 -0.031124 -0.016840 0.026593 0.007506 -0.002613 4C 3pz 0.007826 0.010145 0.010498 0.034239 -0.009993 -0.016948 4C 3px 0.000566 -0.006175 -0.001612 0.012785 0.003599 0.031251 4C 3py -0.003941 0.005051 0.006568 0.020695 -0.002981 0.002003 4C 1dz2 0.003217 0.007246 0.002531 -0.006944 0.000420 0.004848 4C 1dxz -0.003814 0.006066 0.002166 -0.005804 -0.001703 -0.008027 4C 1dyz -0.003761 0.006767 0.002312 -0.006332 -0.000231 0.000419 4C 1dx2y2 -0.003918 -0.008895 -0.003209 0.008632 0.000581 -0.000752 4C 1dxy 0.007217 -0.001666 -0.000527 0.001731 -0.000952 -0.006316 4C 2dz2 0.004733 0.011777 0.006883 -0.011520 0.001268 0.004728 4C 2dxz -0.005551 0.011298 0.001277 -0.011108 -0.003036 -0.006754 4C 2dyz -0.005811 0.011098 0.004702 -0.011740 0.002261 0.000623 4C 2dx2y2 -0.005739 -0.015248 -0.006806 0.014411 -0.000559 -0.001017 4C 2dxy 0.012291 -0.002518 -0.002465 0.002054 -0.001341 -0.005528 4C 1f0 0.001312 0.000247 -0.000400 -0.000299 0.000541 0.002730 4C 1f+1 -0.001644 0.000572 0.000535 -0.000364 -0.001136 -0.002833 4C 1f-1 -0.000982 -0.000563 -0.000460 0.000684 0.000148 0.001055 4C 1f+2 -0.000736 -0.000225 0.000611 0.000217 -0.000046 -0.001601 4C 1f-2 0.001181 -0.000165 0.000201 0.000338 -0.001081 -0.003540 4C 1f+3 0.001709 -0.000230 0.000665 0.000393 -0.000599 -0.002581 4C 1f-3 0.000564 0.000443 0.000521 -0.000296 -0.000487 -0.000248 5C 1s 0.000086 0.009780 -0.001519 0.009110 0.001689 0.000023 5C 2s 0.000184 0.021689 -0.003403 0.020108 0.003633 0.000067 5C 3s -0.000791 -0.039000 0.007146 -0.031009 -0.002526 -0.000633 5C 4s 0.002595 -0.046346 -0.002473 -0.065413 -0.034231 0.003138 5C 5s 0.003254 0.009474 0.004948 -0.048595 -0.007302 -0.006314 5C 1pz 0.003488 0.032064 -0.011402 0.037358 -0.004734 -0.010823 5C 1px 0.000734 0.019547 0.005443 0.027528 -0.005122 0.038865 5C 1py -0.000566 -0.051896 0.013147 -0.059908 0.008428 0.005569 5C 2pz 0.002304 0.027578 -0.014145 0.027460 -0.006557 -0.001059 5C 2px 0.001054 0.016139 0.011206 0.022654 0.000835 0.006802 5C 2py -0.000234 -0.043858 0.015743 -0.042987 0.008982 0.000040 5C 3pz 0.004172 -0.009942 0.001309 0.010084 0.001381 0.010513 5C 3px 0.009020 0.002161 -0.002024 0.014557 0.008619 -0.027244 5C 3py -0.001527 0.009480 -0.000124 -0.026812 -0.003929 -0.008951 5C 1dz2 0.004587 -0.002384 0.000420 -0.002785 0.000483 -0.002230 5C 1dxz -0.007284 -0.006182 0.001189 -0.006969 -0.000332 0.002977 5C 1dyz 0.000195 0.004186 -0.000659 0.004460 -0.000481 0.002794 5C 1dx2y2 0.000054 0.010029 -0.001904 0.011398 -0.001238 0.003859 5C 1dxy -0.005530 0.005294 -0.000969 0.006056 0.001085 -0.005701 5C 2dz2 0.006721 -0.004574 -0.000309 -0.004921 0.002504 -0.001988 5C 2dxz -0.011445 -0.011372 0.005679 -0.011636 -0.000775 0.001531 5C 2dyz 0.000016 0.006794 -0.000047 0.009388 0.000784 0.001792 5C 2dx2y2 0.000585 0.017561 -0.003026 0.020472 -0.000354 0.002973 5C 2dxy -0.009361 0.009406 -0.005615 0.010086 0.003252 -0.004026 5C 1f0 0.001442 -0.000614 0.000718 -0.000590 0.000311 -0.000753 5C 1f+1 -0.001665 -0.000392 -0.000186 -0.000570 0.000169 0.000330 5C 1f-1 -0.000921 -0.000138 -0.000011 -0.000214 -0.000444 0.001076 5C 1f+2 -0.000660 -0.000392 -0.000404 -0.000773 -0.000940 0.002338 5C 1f-2 0.001140 0.000098 -0.000163 -0.000043 0.000027 -0.001063 5C 1f+3 0.001666 -0.000098 -0.000827 -0.000345 -0.000398 0.002222 5C 1f-3 0.000389 0.000427 -0.000538 0.000142 -0.001293 0.002327 6C 1s -0.000095 0.009779 -0.001543 0.009123 -0.001607 -0.000017 6C 2s -0.000204 0.021685 -0.003456 0.020136 -0.003451 -0.000054 6C 3s 0.000811 -0.038982 0.007219 -0.031012 0.002289 0.000615 6C 4s -0.002448 -0.046410 -0.002214 -0.065788 0.033419 -0.003220 6C 5s -0.003026 0.009620 0.005152 -0.049024 0.006706 0.006514 6C 1pz 0.003478 -0.031972 0.011346 -0.037400 -0.005008 -0.010907 6C 1px 0.000681 -0.019546 -0.005478 -0.027565 -0.005602 0.038974 6C 1py -0.000689 0.051867 -0.013003 0.059810 0.008975 0.005606 6C 2pz 0.002284 -0.027521 0.014105 -0.027458 -0.006675 -0.001080 6C 2px 0.000941 -0.016125 -0.011221 -0.022711 0.000335 0.006786 6C 2py -0.000312 0.043853 -0.015636 0.042879 0.009295 0.000053 6C 3pz 0.004040 0.009816 -0.000989 -0.009940 0.001239 0.010611 6C 3px 0.008935 -0.002401 0.002254 -0.014659 0.008848 -0.027138 6C 3py -0.001266 -0.009367 -0.000384 0.026439 -0.003681 -0.009134 6C 1dz2 -0.004589 -0.002385 0.000412 -0.002774 -0.000510 0.002232 6C 1dxz 0.007285 -0.006163 0.001182 -0.006971 0.000264 -0.002981 6C 1dyz -0.000195 0.004185 -0.000658 0.004454 0.000520 -0.002799 6C 1dx2y2 -0.000054 0.010023 -0.001903 0.011399 0.001342 -0.003860 6C 1dxy 0.005506 0.005283 -0.000958 0.006054 -0.001018 0.005729 6C 2dz2 -0.006739 -0.004569 -0.000273 -0.004847 -0.002560 0.001971 6C 2dxz 0.011432 -0.011366 0.005708 -0.011617 0.000716 -0.001502 6C 2dyz -0.000016 0.006786 -0.000088 0.009392 -0.000636 -0.001782 6C 2dx2y2 -0.000544 0.017567 -0.003066 0.020443 0.000570 -0.002958 6C 2dxy 0.009310 0.009420 -0.005627 0.010102 -0.003275 0.004046 6C 1f0 0.001440 0.000617 -0.000719 0.000588 0.000301 -0.000753 6C 1f+1 -0.001659 0.000390 0.000186 0.000572 0.000182 0.000329 6C 1f-1 -0.000919 0.000135 0.000013 0.000218 -0.000439 0.001078 6C 1f+2 -0.000658 0.000390 0.000404 0.000779 -0.000915 0.002346 6C 1f-2 0.001140 -0.000096 0.000158 0.000043 0.000032 -0.001062 6C 1f+3 0.001668 0.000096 0.000833 0.000346 -0.000380 0.002234 6C 1f-3 0.000386 -0.000426 0.000538 -0.000124 -0.001278 0.002334 7C 1s -0.000064 -0.010245 -0.003276 0.008032 0.001615 -0.000019 7C 2s -0.000119 -0.022715 -0.007310 0.017725 0.003476 -0.000046 7C 3s 0.000414 0.040221 0.013586 -0.026823 -0.003048 0.000605 7C 4s -0.001712 0.052849 0.009443 -0.060425 -0.028716 -0.001461 7C 5s -0.002790 -0.004013 0.003283 -0.053829 -0.012485 -0.008162 7C 1pz 0.003851 0.056303 0.018989 -0.057796 0.009818 0.013699 7C 1px 0.000594 0.010283 0.014056 -0.008704 -0.000488 -0.048276 7C 1py -0.004654 0.037984 0.016087 -0.037527 0.007339 -0.009139 7C 2pz 0.002442 0.046543 0.016638 -0.041659 0.007323 0.002947 7C 2px 0.002275 0.007192 0.018284 -0.003406 0.004220 -0.013098 7C 2py -0.002968 0.031101 0.016623 -0.026624 0.007112 -0.002587 7C 3pz 0.008031 -0.010352 -0.010011 -0.033870 -0.010675 -0.017071 7C 3px 0.000976 0.006383 0.001509 -0.012992 0.003613 0.031038 7C 3py -0.003807 -0.004927 -0.006303 -0.020861 -0.003343 0.001752 7C 1dz2 -0.003235 0.007214 0.002506 -0.006912 -0.000497 -0.004866 7C 1dxz 0.003797 0.006044 0.002143 -0.005794 0.001624 0.008038 7C 1dyz 0.003742 0.006768 0.002304 -0.006332 0.000158 -0.000385 7C 1dx2y2 0.003901 -0.008892 -0.003193 0.008641 -0.000481 0.000806 7C 1dxy -0.007192 -0.001673 -0.000520 0.001720 0.000966 0.006217 7C 2dz2 -0.004749 0.011725 0.006904 -0.011442 -0.001428 -0.004750 7C 2dxz 0.005553 0.011268 0.001323 -0.011063 0.002930 0.006816 7C 2dyz 0.005794 0.011100 0.004754 -0.011701 -0.002413 -0.000558 7C 2dx2y2 0.005673 -0.015239 -0.006815 0.014408 0.000766 0.001094 7C 2dxy -0.012267 -0.002517 -0.002432 0.002046 0.001476 0.005358 7C 1f0 0.001307 -0.000244 0.000401 0.000295 0.000531 0.002723 7C 1f+1 -0.001653 -0.000577 -0.000522 0.000382 -0.001109 -0.002835 7C 1f-1 -0.000976 0.000562 0.000466 -0.000683 0.000143 0.001043 7C 1f+2 -0.000729 0.000221 -0.000618 -0.000213 -0.000039 -0.001596 7C 1f-2 0.001172 0.000159 -0.000201 -0.000324 -0.001076 -0.003514 7C 1f+3 0.001702 0.000229 -0.000660 -0.000381 -0.000589 -0.002552 7C 1f-3 0.000571 -0.000441 -0.000509 0.000299 -0.000471 -0.000245 8C 1s -0.000082 0.004783 -0.000978 0.005703 0.000189 -0.000068 8C 2s -0.000193 0.010620 -0.002176 0.012670 0.000426 -0.000132 8C 3s 0.000316 -0.019281 0.004465 -0.023348 0.000162 -0.000068 8C 4s 0.000377 -0.015032 0.000477 -0.017406 -0.005281 0.001981 8C 5s -0.001574 -0.050806 0.003099 0.013268 -0.013530 -0.011395 8C 1pz -0.008097 0.039237 -0.012277 0.044013 0.007800 -0.009350 8C 1px -0.006755 0.032199 0.003551 0.040907 -0.011328 0.024029 8C 1py -0.003919 -0.081445 0.018172 -0.090160 -0.007872 0.006930 8C 2pz -0.006406 0.031370 -0.008133 0.033275 0.008795 -0.007967 8C 2px -0.004563 0.024293 0.003081 0.030411 -0.008000 0.019884 8C 2py -0.002221 -0.062215 0.011668 -0.066837 -0.010040 0.006329 8C 3pz -0.006611 0.006879 -0.002221 -0.001579 0.005447 -0.002664 8C 3px -0.014627 0.019464 0.000583 0.016890 -0.002878 0.010970 8C 3py -0.009117 -0.034442 0.006474 -0.022956 -0.007788 0.001976 8C 1dz2 -0.000137 0.000658 -0.000268 0.000592 0.000161 -0.000217 8C 1dxz 0.000170 -0.001511 0.000901 -0.001377 -0.000848 0.001369 8C 1dyz 0.000099 0.003250 -0.000176 0.003654 -0.000227 0.000736 8C 1dx2y2 -0.000321 0.002630 -0.000399 0.003055 0.000152 0.000014 8C 1dxy 0.000034 0.002227 -0.000769 0.002340 0.000423 -0.000447 8C 2dz2 -0.000274 -0.001007 -0.000140 -0.001091 0.000539 -0.000392 8C 2dxz -0.000332 -0.001308 0.000916 -0.000572 -0.001268 0.000575 8C 2dyz -0.000041 0.000205 0.001277 0.000650 0.001473 -0.000171 8C 2dx2y2 -0.000673 0.002096 0.000553 0.002087 0.000353 0.000252 8C 2dxy -0.000081 0.001004 -0.000717 0.000306 0.001246 -0.000707 8C 1f0 0.000250 -0.000206 0.000014 -0.000230 -0.000079 -0.000061 8C 1f+1 -0.000168 0.000204 0.000051 0.000313 -0.000025 0.000092 8C 1f-1 -0.000177 -0.000163 -0.000077 -0.000255 -0.000062 -0.000034 8C 1f+2 -0.000039 0.000047 -0.000211 -0.000023 -0.000080 -0.000031 8C 1f-2 0.000134 -0.000258 0.000111 -0.000280 -0.000211 0.000200 8C 1f+3 0.000231 0.000477 -0.000231 0.000513 0.000202 -0.000072 8C 1f-3 0.000135 -0.000483 -0.000201 -0.000751 0.000071 -0.000084 9C 1s -0.000054 -0.005083 -0.001960 0.005145 -0.000294 -0.000043 9C 2s -0.000121 -0.011310 -0.004359 0.011458 -0.000678 -0.000106 9C 3s 0.000192 0.020643 0.008609 -0.021239 0.000641 -0.000075 9C 4s 0.000499 0.016267 0.003250 -0.015831 0.003619 0.001074 9C 5s -0.004109 0.049729 0.022899 0.027763 0.026010 0.017297 9C 1pz -0.008958 -0.083549 -0.027372 0.081292 -0.000440 0.013742 9C 1px -0.002578 -0.024522 -0.019881 0.020718 -0.014895 -0.034916 9C 1py 0.012823 -0.053438 -0.021288 0.050614 -0.007274 -0.005414 9C 2pz -0.006872 -0.065126 -0.020134 0.060974 -0.003892 0.011239 9C 2px -0.002041 -0.018139 -0.013779 0.015699 -0.013788 -0.029640 9C 2py 0.009524 -0.041340 -0.014903 0.037491 -0.007485 -0.005066 9C 3pz -0.010983 -0.029695 -0.009755 0.013097 -0.005524 0.003410 9C 3px 0.001565 -0.020099 -0.014207 0.013398 -0.004543 -0.013733 9C 3py 0.016941 -0.018739 -0.009385 0.005259 -0.007968 -0.003612 9C 1dz2 -0.000307 0.002805 0.001181 -0.002547 0.000394 0.000341 9C 1dxz -0.000229 0.001363 -0.000161 -0.001443 -0.000514 -0.001580 9C 1dyz 0.000282 0.004123 0.001731 -0.003766 0.000636 0.000825 9C 1dx2y2 -0.000105 -0.001518 -0.000194 0.001599 0.000432 0.001337 9C 1dxy 0.000148 0.000780 -0.000052 -0.000783 -0.000302 -0.000805 9C 2dz2 -0.000510 0.000820 0.000382 -0.000542 0.001541 0.000596 9C 2dxz -0.000492 0.001684 -0.000639 -0.001049 -0.000341 -0.001283 9C 2dyz 0.000378 0.000624 -0.000171 -0.000524 0.001623 0.000144 9C 2dx2y2 -0.000690 -0.002572 -0.000662 0.001924 0.000362 0.000415 9C 2dxy 0.000517 -0.000367 -0.000910 0.000126 -0.000178 -0.001134 9C 1f0 0.000338 -0.000063 -0.000151 0.000049 -0.000222 -0.000197 9C 1f+1 -0.000182 -0.000540 -0.000012 0.000589 -0.000054 0.000188 9C 1f-1 -0.000152 -0.000404 -0.000107 0.000417 -0.000199 -0.000147 9C 1f+2 -0.000028 0.000288 0.000102 -0.000339 0.000084 0.000006 9C 1f-2 0.000185 0.000021 0.000339 -0.000001 0.000066 0.000280 9C 1f+3 0.000242 -0.000268 -0.000001 0.000288 -0.000034 0.000021 9C 1f-3 0.000015 -0.000405 -0.000216 0.000446 -0.000103 -0.000188 10H 1s -0.000174 -0.013155 0.001632 0.014139 -0.006910 -0.020007 10H 2s -0.000845 -0.018001 0.003412 0.019862 -0.009722 -0.031718 10H 3s -0.004774 -0.029532 -0.008907 0.022815 -0.003467 -0.007997 10H 1pz -0.000586 0.002038 0.001141 -0.001814 -0.000421 -0.000628 10H 1px -0.000165 0.001667 0.000075 -0.001892 0.000345 0.001837 10H 1py 0.000694 0.001394 0.000707 -0.001238 -0.000307 -0.000211 11H 1s 0.006530 -0.016906 -0.008757 0.015317 0.003540 0.006671 11H 2s 0.009216 -0.024681 -0.012607 0.021043 0.005842 0.012676 11H 3s -0.005412 -0.014985 -0.007052 0.009795 0.006572 0.005631 11H 1pz 0.000008 0.001489 0.000323 -0.001560 0.000191 0.001047 11H 1px 0.000801 -0.000628 -0.000047 0.000488 -0.000255 -0.000247 11H 1py -0.000068 0.003012 0.001327 -0.002774 -0.000506 -0.000727 12H 1s -0.005902 -0.014872 -0.009473 0.012698 0.007024 0.012841 12H 2s -0.007907 -0.021695 -0.014117 0.017652 0.010948 0.022188 12H 3s 0.009274 -0.018123 -0.006978 0.012833 0.006894 0.008656 12H 1pz 0.000228 0.003398 0.001361 -0.003211 -0.000341 -0.000306 12H 1px -0.000544 0.000107 0.000153 -0.000208 -0.000099 -0.000032 12H 1py -0.000295 0.000013 -0.000401 -0.000151 0.000582 0.001444 13H 1s 0.000171 0.012930 -0.008754 0.012015 -0.008627 0.013684 13H 2s 0.000677 0.018208 -0.012955 0.016886 -0.013108 0.022561 13H 3s 0.008034 0.027860 -0.008834 0.023978 -0.005296 0.004767 13H 1pz -0.000505 -0.000390 -0.000332 -0.000503 -0.000493 0.000978 13H 1px -0.000215 -0.001802 0.000635 -0.002045 0.000599 -0.001119 13H 1py -0.000410 0.002200 -0.000247 0.002514 -0.000011 -0.000182 14H 1s 0.004553 0.013136 0.001510 0.016874 0.004824 -0.009625 14H 2s 0.006339 0.018216 0.002156 0.022921 0.006873 -0.016842 14H 3s -0.010551 0.019257 -0.000112 0.019092 0.002696 -0.005456 14H 1pz 0.000079 -0.000444 0.000487 -0.000290 0.000469 -0.000805 14H 1px 0.000470 0.000106 0.000111 0.000167 0.000222 -0.000718 14H 1py 0.000281 0.003021 -0.000565 0.003449 -0.000088 -0.000225 15H 1s -0.003579 0.016147 -0.001173 0.017691 0.001411 -0.003191 15H 2s -0.005165 0.023812 -0.001679 0.024692 0.002405 -0.006496 15H 3s 0.004115 0.012161 -0.000318 0.009482 -0.000104 -0.003086 15H 1pz 0.000251 -0.003022 0.000573 -0.003249 0.000011 0.000123 15H 1px -0.000629 -0.000782 -0.000128 -0.001112 -0.000342 0.000584 15H 1py 0.000094 0.001107 -0.000517 0.001332 -0.000366 0.000625 16H 1s 0.000836 0.001298 -0.013012 -0.002913 0.008552 -0.000165 16H 2s 0.003736 0.003171 -0.020811 -0.002742 0.012811 0.003168 16H 3s 0.002076 -0.001346 -0.000649 -0.003098 -0.002065 0.004642 16H 1pz 0.000221 0.000844 -0.005155 -0.001455 0.004709 -0.000409 16H 1px -0.000145 -0.001003 0.008100 0.002933 -0.009631 0.000171 16H 1py 0.000204 -0.000975 0.009314 0.003073 -0.009603 0.000071 17H 1s 0.000833 0.001649 -0.013244 -0.003200 0.008919 0.000485 17H 2s 0.005392 0.002164 -0.020635 -0.002752 0.012615 -0.000798 17H 3s 0.003300 0.001839 -0.000319 -0.002929 -0.001922 -0.004442 17H 1pz -0.000088 0.000051 0.000039 -0.000338 0.001238 -0.000306 17H 1px -0.000475 -0.000897 0.010004 0.003318 -0.010861 0.000652 17H 1py 0.000268 -0.001041 0.008960 0.003001 -0.009406 0.000771 18H 1s -0.000800 0.001645 -0.013243 -0.003114 -0.009065 -0.000491 18H 2s -0.005528 0.002175 -0.020719 -0.002643 -0.012926 0.000691 18H 3s -0.003568 0.001805 -0.000384 -0.002968 0.001843 0.004279 18H 1pz -0.000095 -0.000065 0.000095 0.000374 0.001389 -0.000308 18H 1px -0.000510 0.000879 -0.009902 -0.003172 -0.010884 0.000637 18H 1py 0.000257 0.001026 -0.008968 -0.002901 -0.009503 0.000773 19H 1s -0.000873 0.001293 -0.013015 -0.002825 -0.008671 0.000137 19H 2s -0.003548 0.003149 -0.020700 -0.002564 -0.012825 -0.003305 19H 3s -0.001756 -0.001333 -0.000557 -0.003076 0.002086 -0.004638 19H 1pz 0.000195 -0.000851 0.005290 0.001449 0.004906 -0.000409 19H 1px -0.000116 0.000985 -0.008000 -0.002800 -0.009637 0.000165 19H 1py 0.000208 0.000950 -0.009238 -0.002959 -0.009668 0.000086 20H 1s 0.003563 0.016123 -0.001086 0.017653 -0.001260 0.003313 20H 2s 0.005135 0.023755 -0.001535 0.024630 -0.002216 0.006731 20H 3s -0.004267 0.012216 -0.000161 0.009538 0.000201 0.003220 20H 1pz 0.000246 0.003018 -0.000566 0.003248 0.000036 0.000138 20H 1px -0.000629 0.000770 0.000129 0.001108 -0.000320 0.000575 20H 1py 0.000092 -0.001114 0.000521 -0.001335 -0.000381 0.000636 21H 1s -0.004577 0.013132 0.001488 0.016989 -0.004524 0.009584 21H 2s -0.006369 0.018239 0.002125 0.023109 -0.006456 0.016806 21H 3s 0.010524 0.019046 0.000003 0.018972 -0.002445 0.005540 21H 1pz 0.000076 0.000434 -0.000488 0.000275 0.000465 -0.000815 21H 1px 0.000473 -0.000105 -0.000103 -0.000168 0.000211 -0.000707 21H 1py 0.000284 -0.003024 0.000564 -0.003455 -0.000124 -0.000224 22H 1s -0.000178 0.012921 -0.008781 0.011931 0.008620 -0.013738 22H 2s -0.000672 0.018194 -0.012989 0.016759 0.013065 -0.022631 22H 3s -0.007899 0.027940 -0.008827 0.024034 0.005472 -0.004760 22H 1pz -0.000512 0.000398 0.000328 0.000521 -0.000472 0.000972 22H 1px -0.000215 0.001802 -0.000639 0.002045 0.000616 -0.001129 22H 1py -0.000408 -0.002188 0.000237 -0.002502 -0.000034 -0.000194 23H 1s 0.006076 -0.014933 -0.009359 0.012808 -0.006691 -0.012534 23H 2s 0.008192 -0.021801 -0.013937 0.017815 -0.010494 -0.021766 23H 3s -0.009038 -0.017852 -0.006718 0.012685 -0.006590 -0.008737 23H 1pz 0.000234 -0.003401 -0.001353 0.003216 -0.000300 -0.000291 23H 1px -0.000558 -0.000124 -0.000169 0.000226 -0.000109 -0.000070 23H 1py -0.000308 -0.000003 0.000396 0.000145 0.000574 0.001431 24H 1s -0.006630 -0.016857 -0.008771 0.015322 -0.003425 -0.006893 24H 2s -0.009372 -0.024566 -0.012579 0.021034 -0.005696 -0.013062 24H 3s 0.005615 -0.015129 -0.007054 0.009987 -0.006513 -0.005708 24H 1pz 0.000013 -0.001486 -0.000319 0.001552 0.000210 0.001053 24H 1px 0.000808 0.000637 0.000060 -0.000495 -0.000240 -0.000198 24H 1py -0.000062 -0.003001 -0.001318 0.002773 -0.000475 -0.000731 25H 1s 0.000171 -0.013087 0.001662 0.014018 0.006944 0.019949 25H 2s 0.000808 -0.017940 0.003458 0.019730 0.009750 0.031623 25H 3s 0.004410 -0.029584 -0.008878 0.022826 0.003689 0.007981 25H 1pz -0.000585 -0.002016 -0.001131 0.001795 -0.000398 -0.000643 25H 1px -0.000172 -0.001657 -0.000066 0.001881 0.000357 0.001831 25H 1py 0.000707 -0.001423 -0.000702 0.001275 -0.000282 -0.000176 26O 1s -0.000158 0.007654 0.001080 -0.007388 0.000681 -0.006355 26O 2s -0.000383 0.018629 0.002670 -0.017958 0.001665 -0.015245 26O 3s 0.000715 -0.031986 -0.005328 0.030332 -0.002780 0.023478 26O 4s 0.000236 -0.033637 -0.002734 0.034803 -0.001015 0.038235 26O 5s -0.001425 -0.038226 0.013766 0.040240 -0.024879 0.009324 26O 1pz -0.066032 0.098103 0.049440 -0.087818 -0.030907 -0.126818 26O 1px -0.037484 -0.002271 0.003379 -0.004191 0.009944 0.123479 26O 1py 0.105236 0.059501 0.035027 -0.055527 -0.015729 -0.031142 26O 2pz -0.054999 0.082428 0.040719 -0.074233 -0.025739 -0.108295 26O 2px -0.030759 -0.003224 -0.000108 -0.003625 0.009573 0.102683 26O 2py 0.088246 0.049862 0.027974 -0.047218 -0.013189 -0.027751 26O 3pz -0.041858 0.046435 0.031183 -0.046262 -0.021593 -0.071973 26O 3px -0.021949 -0.011872 -0.010678 -0.000913 0.019026 0.082175 26O 3py 0.067712 0.023712 0.013512 -0.028791 -0.003771 -0.013439 26O 1dz2 -0.000527 0.000773 0.000514 -0.000710 -0.000241 0.000633 26O 1dxz 0.000450 -0.000518 -0.000373 0.000550 0.000284 0.000744 26O 1dyz 0.000446 0.000581 0.000124 -0.000325 -0.000028 -0.000042 26O 1dx2y2 0.000483 -0.000179 -0.000331 0.000218 0.000218 -0.001473 26O 1dxy -0.000966 -0.000383 -0.000557 0.000527 0.000313 -0.000707 26O 2dz2 -0.002188 0.002542 0.001946 -0.002227 -0.001692 -0.000288 26O 2dxz 0.000727 -0.001285 -0.000215 0.000905 0.000821 0.002649 26O 2dyz 0.002041 0.003434 0.001863 -0.001712 -0.001283 -0.002991 26O 2dx2y2 0.000195 -0.000186 -0.000674 0.001202 0.000218 -0.003139 26O 2dxy -0.002950 -0.000242 -0.000196 0.001458 0.000341 -0.001750 26O 1f0 -0.000191 -0.000193 0.000003 0.000206 -0.000148 -0.000176 26O 1f+1 -0.000489 0.000217 0.000224 -0.000039 -0.000116 -0.000883 26O 1f-1 -0.000464 0.000722 0.000387 -0.000132 -0.000260 -0.000959 26O 1f+2 -0.000794 -0.000096 -0.000194 -0.000092 0.000190 0.000517 26O 1f-2 -0.000152 0.000595 0.000322 -0.000397 -0.000038 -0.000345 26O 1f+3 0.000824 0.000363 0.000169 -0.000163 -0.000050 -0.000364 26O 1f-3 -0.000014 -0.000163 -0.000021 0.000295 -0.000095 -0.000686 27O 1s -0.000353 -0.007126 0.002052 -0.007459 -0.001867 0.004929 27O 2s -0.000848 -0.017350 0.004971 -0.018155 -0.004509 0.011826 27O 3s 0.001359 0.029914 -0.008155 0.031112 0.007202 -0.018254 27O 4s 0.002090 0.030952 -0.008947 0.034075 0.008576 -0.029566 27O 5s -0.004778 0.032313 -0.026797 0.030227 0.023134 -0.004417 27O 1pz -0.108677 -0.059514 0.006108 -0.065369 -0.022857 0.069248 27O 1px -0.021949 -0.013801 -0.003525 -0.024619 0.023622 -0.081546 27O 1py -0.071487 0.087978 -0.006322 0.104931 0.027061 -0.074853 27O 2pz -0.090917 -0.050277 0.005082 -0.055368 -0.019851 0.058924 27O 2px -0.017732 -0.009932 -0.000601 -0.019082 0.017431 -0.067810 27O 2py -0.060198 0.073607 -0.005604 0.088117 0.023562 -0.064177 27O 3pz -0.068653 -0.028779 -0.004331 -0.036308 -0.006425 0.040858 27O 3px -0.011257 0.006819 -0.007690 -0.007448 0.015927 -0.060240 27O 3py -0.045025 0.040707 0.004219 0.057602 0.009456 -0.039995 27O 1dz2 -0.000677 -0.000218 -0.000079 -0.000503 0.000184 -0.000631 27O 1dxz 0.000890 0.000166 0.000162 0.000298 0.000210 -0.000540 27O 1dyz 0.000088 0.000836 -0.000182 0.000741 0.000147 -0.000328 27O 1dx2y2 0.000131 0.000691 -0.000013 0.000937 -0.000440 0.001125 27O 1dxy 0.000689 -0.000313 -0.000278 -0.000781 -0.000110 0.000048 27O 2dz2 -0.002985 0.000611 0.000044 -0.000562 0.000119 -0.001949 27O 2dxz 0.002126 0.000218 0.000518 -0.000054 0.000507 -0.001649 27O 2dyz 0.000583 0.003835 0.000141 0.002979 0.000350 -0.003005 27O 2dx2y2 -0.000808 0.001788 -0.000518 0.002885 0.000379 0.001533 27O 2dxy 0.002123 0.000134 -0.000069 -0.000718 -0.000928 0.000137 27O 1f0 0.000565 0.000640 -0.000046 0.000319 0.000130 -0.000473 27O 1f+1 -0.000349 0.000039 0.000057 0.000165 -0.000129 0.000513 27O 1f-1 0.000639 0.000061 -0.000008 -0.000045 -0.000011 -0.000168 27O 1f+2 -0.000588 0.000334 -0.000061 0.000106 0.000032 -0.000348 27O 1f-2 0.000674 0.000479 -0.000147 0.000283 0.000199 -0.000594 27O 1f+3 0.000692 -0.000553 0.000136 -0.000231 -0.000245 0.000887 27O 1f-3 0.000240 -0.000270 -0.000051 -0.000454 0.000066 -0.000393 28O 1s -0.000047 0.007275 0.003118 -0.006643 0.001668 0.006325 28O 2s -0.000117 0.017724 0.007578 -0.016165 0.004017 0.015166 28O 3s 0.000188 -0.030814 -0.012816 0.027676 -0.006248 -0.023263 28O 4s 0.000792 -0.029672 -0.012733 0.029768 -0.008284 -0.037885 28O 5s -0.002955 -0.038679 -0.035433 0.030693 -0.019440 -0.010345 28O 1pz 0.071864 0.086559 0.020430 -0.088036 0.009107 0.040820 28O 1px 0.047521 0.039429 0.013519 -0.032741 0.036109 0.154041 28O 1py -0.119680 0.068414 0.015637 -0.067196 0.021828 0.085078 28O 2pz 0.060159 0.071275 0.018494 -0.073241 0.009830 0.036315 28O 2px 0.039926 0.034764 0.009895 -0.028603 0.028930 0.128541 28O 2py -0.100550 0.057425 0.013190 -0.056907 0.018499 0.072509 28O 3pz 0.044369 0.038069 -0.000851 -0.049260 -0.002081 0.016880 28O 3px 0.028428 0.030136 0.007299 -0.023091 0.018483 0.099996 28O 3py -0.072499 0.034057 0.004742 -0.036931 0.010545 0.048736 28O 1dz2 -0.000316 -0.000076 0.000249 0.000293 -0.000120 -0.000539 28O 1dxz 0.000509 0.000854 0.000075 -0.001067 -0.000319 -0.001011 28O 1dyz 0.000545 0.000545 0.000326 -0.000216 -0.000048 0.000156 28O 1dx2y2 0.000757 -0.000117 -0.000067 0.000176 0.000453 0.001380 28O 1dxy -0.001138 0.000729 0.000063 -0.000756 0.000205 0.000628 28O 2dz2 0.000080 0.000485 0.000318 -0.000063 -0.000607 -0.000396 28O 2dxz 0.002365 0.001773 0.000563 -0.002784 0.000304 -0.000969 28O 2dyz 0.000807 0.003121 0.000633 -0.001735 0.000085 0.002634 28O 2dx2y2 0.003210 0.000352 -0.000673 0.000652 0.000009 0.003128 28O 2dxy -0.003278 0.002374 0.000362 -0.001708 0.000858 0.002948 28O 1f0 0.001152 0.000299 0.000143 -0.000172 0.000138 0.000459 28O 1f+1 -0.000528 -0.000279 -0.000009 0.000346 0.000047 0.000465 28O 1f-1 -0.000099 0.000924 0.000315 -0.000450 0.000208 0.000919 28O 1f+2 0.000411 -0.000438 -0.000209 0.000054 -0.000273 -0.001084 28O 1f-2 0.000899 0.000042 0.000007 0.000150 0.000015 0.000347 28O 1f+3 0.000129 -0.000061 -0.000021 0.000025 -0.000052 -0.000156 28O 1f-3 0.000439 -0.000190 0.000047 0.000146 0.000085 0.000217 29O 1s 0.000424 0.000985 -0.008489 -0.002310 0.006389 0.000155 29O 2s 0.001041 0.002374 -0.020425 -0.005498 0.015323 0.000399 29O 3s -0.001809 -0.003682 0.031281 0.007569 -0.022708 -0.000985 29O 4s -0.000880 -0.005963 0.053510 0.020862 -0.045795 0.000992 29O 5s -0.010261 -0.004496 0.030044 -0.009066 -0.008204 -0.006410 29O 1pz -0.001077 0.004995 -0.042748 -0.017526 0.055318 -0.000598 29O 1px 0.001453 -0.018111 0.170142 0.064083 -0.203131 0.012577 29O 1py -0.003196 -0.024222 0.220348 0.070443 -0.218415 0.008699 29O 2pz -0.000885 0.004822 -0.036240 -0.014598 0.046571 -0.000896 29O 2px 0.001097 -0.015105 0.143075 0.053701 -0.170237 0.010187 29O 2py -0.002441 -0.020187 0.182865 0.059243 -0.181669 0.007401 29O 3pz -0.001226 0.003462 -0.032405 -0.015836 0.041770 0.003270 29O 3px -0.000992 -0.013054 0.121622 0.053045 -0.147745 0.011620 29O 3py 0.001534 -0.015186 0.144515 0.048157 -0.148716 0.006460 29O 1dz2 0.000013 -0.000037 0.000384 0.000080 -0.000338 0.000015 29O 1dxz 0.000025 0.000087 -0.000642 -0.000340 0.000819 -0.000044 29O 1dyz 0.000007 0.000062 -0.000240 -0.000060 0.000149 0.000011 29O 1dx2y2 -0.000027 -0.000252 0.002386 0.000979 -0.002674 0.000138 29O 1dxy -0.000076 0.000023 -0.000055 -0.000070 0.000343 -0.000045 29O 2dz2 0.000333 -0.000622 0.004659 0.001595 -0.004522 0.000150 29O 2dxz -0.000016 0.000219 -0.001193 -0.000296 0.001717 -0.000027 29O 2dyz -0.000064 -0.000068 -0.000131 0.000218 -0.000448 0.000118 29O 2dx2y2 0.000436 -0.000971 0.009553 0.002699 -0.009943 0.000529 29O 2dxy 0.000120 0.000358 -0.003563 -0.001680 0.005004 -0.000294 29O 1f0 0.000086 0.000111 -0.000795 -0.000315 0.000973 -0.000024 29O 1f+1 -0.000077 -0.000114 0.001081 0.000399 -0.001222 0.000096 29O 1f-1 -0.000007 -0.000099 0.001270 0.000444 -0.001308 0.000078 29O 1f+2 -0.000027 -0.000030 0.000200 0.000114 -0.000308 0.000011 29O 1f-2 0.000070 -0.000166 0.001049 0.000394 -0.001153 0.000036 29O 1f+3 0.000070 0.000155 -0.001316 -0.000408 0.001277 -0.000034 29O 1f-3 0.000021 -0.000061 0.000848 0.000354 -0.001062 0.000077 30O 1s 0.000070 -0.006910 -0.000310 -0.008201 -0.000893 -0.004938 30O 2s 0.000148 -0.016832 -0.000709 -0.019949 -0.002185 -0.011859 30O 3s 0.000044 0.029196 0.000337 0.033965 0.003688 0.018497 30O 4s -0.001404 0.029128 0.003800 0.036945 0.001694 0.029329 30O 5s 0.001145 0.033781 0.026469 0.052050 0.030427 0.000306 30O 1pz 0.115050 -0.047243 0.017254 -0.051635 0.008248 -0.004946 30O 1px 0.023018 -0.055393 0.012993 -0.053165 0.021726 -0.126254 30O 1py 0.081062 0.084916 -0.033492 0.089881 -0.021549 0.042747 30O 2pz 0.096476 -0.038962 0.012238 -0.043970 0.005771 -0.005007 30O 2px 0.019219 -0.047974 0.013305 -0.044931 0.019309 -0.106767 30O 2py 0.067863 0.070189 -0.025533 0.076138 -0.017308 0.036779 30O 3pz 0.071912 -0.017866 0.007783 -0.024791 0.000449 0.004379 30O 3px 0.013480 -0.038397 0.021614 -0.029531 0.027606 -0.084845 30O 3py 0.049302 0.038126 -0.016248 0.046647 -0.007296 0.019148 30O 1dz2 -0.000585 0.000293 0.000022 0.000240 -0.000053 0.000541 30O 1dxz 0.001046 -0.000448 0.000366 -0.000499 0.000243 0.000747 30O 1dyz -0.000137 0.000169 0.000292 -0.000025 0.000202 0.000377 30O 1dx2y2 0.000103 -0.000097 -0.000007 -0.000194 -0.000009 -0.000855 30O 1dxy 0.000941 0.000909 -0.000558 0.000976 -0.000371 -0.000452 30O 2dz2 -0.000353 0.001666 -0.000220 0.000817 -0.000513 0.002305 30O 2dxz 0.003904 -0.001243 0.000845 -0.001840 0.000848 0.001077 30O 2dyz -0.000878 0.002661 -0.001119 0.000682 -0.000957 0.002923 30O 2dx2y2 0.001173 -0.000045 -0.000468 0.000169 0.000246 -0.002003 30O 2dxy 0.002448 0.003022 -0.000982 0.003167 -0.001292 0.000720 30O 1f0 0.000382 0.000455 -0.000127 0.000262 -0.000069 0.000093 30O 1f+1 -0.000597 0.000213 0.000058 0.000181 0.000079 -0.000011 30O 1f-1 -0.001312 0.000322 -0.000121 0.000262 -0.000011 0.000126 30O 1f+2 0.000194 0.000900 -0.000312 0.000503 -0.000150 0.000699 30O 1f-2 -0.000011 0.000184 -0.000128 -0.000231 -0.000254 0.000750 30O 1f+3 0.000395 -0.000022 0.000110 0.000203 0.000177 -0.000429 30O 1f-3 0.000046 0.000304 -0.000186 0.000118 -0.000101 0.000637 31O 1s -0.000069 -0.006908 -0.000288 -0.008212 0.000789 0.004955 31O 2s -0.000144 -0.016827 -0.000656 -0.019975 0.001930 0.011902 31O 3s -0.000057 0.029189 0.000235 0.034006 -0.003250 -0.018572 31O 4s 0.001415 0.029094 0.003808 0.036979 -0.001282 -0.029371 31O 5s -0.001252 0.033816 0.026003 0.052531 -0.028953 -0.000488 31O 1pz 0.114821 0.047322 -0.017149 0.051392 0.008543 -0.004733 31O 1px 0.023160 0.055508 -0.013221 0.052989 0.022080 -0.126567 31O 1py 0.080995 -0.084784 0.033572 -0.089779 -0.022054 0.042900 31O 2pz 0.096290 0.039017 -0.012161 0.043780 0.006098 -0.004812 31O 2px 0.019324 0.048067 -0.013471 0.044771 0.019535 -0.107027 31O 2py 0.067799 -0.070085 0.025631 -0.076068 -0.017826 0.036906 31O 3pz 0.071760 0.017954 -0.007648 0.024781 0.000463 0.004514 31O 3px 0.013636 0.038506 -0.021763 0.029206 0.027613 -0.085109 31O 3py 0.049295 -0.037991 0.016059 -0.046734 -0.007160 0.019150 31O 1dz2 0.000584 0.000296 0.000018 0.000238 0.000057 -0.000542 31O 1dxz -0.001043 -0.000447 0.000361 -0.000494 -0.000243 -0.000751 31O 1dyz 0.000138 0.000170 0.000290 -0.000022 -0.000197 -0.000378 31O 1dx2y2 -0.000105 -0.000096 -0.000006 -0.000194 0.000011 0.000857 31O 1dxy -0.000941 0.000906 -0.000555 0.000974 0.000374 0.000451 31O 2dz2 0.000356 0.001674 -0.000213 0.000812 0.000511 -0.002308 31O 2dxz -0.003892 -0.001243 0.000845 -0.001823 -0.000869 -0.001098 31O 2dyz 0.000886 0.002659 -0.001113 0.000667 0.000943 -0.002914 31O 2dx2y2 -0.001185 -0.000046 -0.000453 0.000174 -0.000251 0.002008 31O 2dxy -0.002443 0.003017 -0.000977 0.003165 0.001307 -0.000713 31O 1f0 0.000382 -0.000455 0.000128 -0.000262 -0.000070 0.000093 31O 1f+1 -0.000595 -0.000214 -0.000060 -0.000181 0.000077 -0.000012 31O 1f-1 -0.001310 -0.000323 0.000120 -0.000260 -0.000013 0.000124 31O 1f+2 0.000194 -0.000900 0.000313 -0.000502 -0.000151 0.000699 31O 1f-2 -0.000013 -0.000185 0.000129 0.000234 -0.000250 0.000752 31O 1f+3 0.000395 0.000023 -0.000109 -0.000205 0.000173 -0.000430 31O 1f-3 0.000045 -0.000305 0.000187 -0.000117 -0.000100 0.000639 32O 1s -0.000424 0.000978 -0.008479 -0.002241 -0.006471 -0.000164 32O 2s -0.001042 0.002356 -0.020400 -0.005333 -0.015517 -0.000421 32O 3s 0.001807 -0.003649 0.031216 0.007317 0.022964 0.001022 32O 4s 0.000905 -0.005926 0.053496 0.020394 0.046463 -0.000969 32O 5s 0.010181 -0.004483 0.030065 -0.009181 0.008258 0.006633 32O 1pz -0.001156 -0.005366 0.046639 0.018118 0.059700 -0.000790 32O 1px 0.001417 0.017630 -0.167706 -0.061245 -0.203052 0.012500 32O 1py -0.003225 0.023938 -0.219796 -0.068008 -0.220519 0.008723 32O 2pz -0.000960 -0.005125 0.039478 0.015104 0.050244 -0.001057 32O 2px 0.001063 0.014712 -0.141055 -0.051318 -0.170184 0.010126 32O 2py -0.002468 0.019933 -0.182413 -0.057221 -0.183437 0.007415 32O 3pz -0.001696 -0.003662 0.034647 0.016077 0.044429 0.003179 32O 3px -0.001144 0.012720 -0.120048 -0.051049 -0.147963 0.011478 32O 3py 0.001488 0.014997 -0.144040 -0.046485 -0.150025 0.006653 32O 1dz2 -0.000013 -0.000036 0.000377 0.000072 0.000330 -0.000015 32O 1dxz -0.000025 0.000084 -0.000622 -0.000324 -0.000802 0.000042 32O 1dyz -0.000004 0.000053 -0.000161 -0.000032 -0.000067 -0.000016 32O 1dx2y2 0.000027 -0.000249 0.002383 0.000952 0.002706 -0.000137 32O 1dxy 0.000076 0.000019 -0.000019 -0.000054 -0.000308 0.000044 32O 2dz2 -0.000346 -0.000605 0.004627 0.001529 0.004522 -0.000154 32O 2dxz 0.000037 0.000209 -0.001086 -0.000240 -0.001599 0.000023 32O 2dyz 0.000024 -0.000104 0.000181 0.000305 0.000756 -0.000126 32O 2dx2y2 -0.000423 -0.000957 0.009573 0.002605 0.010088 -0.000543 32O 2dxy -0.000131 0.000343 -0.003452 -0.001596 -0.004955 0.000282 32O 1f0 0.000082 -0.000114 0.000842 0.000321 0.001032 -0.000025 32O 1f+1 -0.000084 0.000108 -0.001039 -0.000372 -0.001192 0.000092 32O 1f-1 -0.000008 0.000096 -0.001252 -0.000424 -0.001302 0.000079 32O 1f+2 -0.000025 0.000026 -0.000169 -0.000101 -0.000283 0.000010 32O 1f-2 0.000071 0.000169 -0.001097 -0.000399 -0.001221 0.000041 32O 1f+3 0.000069 -0.000151 0.001306 0.000391 0.001284 -0.000033 32O 1f-3 0.000021 0.000055 -0.000811 -0.000331 -0.001035 0.000076 33O 1s 0.000030 0.007261 0.003151 -0.006606 -0.001767 -0.006327 33O 2s 0.000076 0.017691 0.007658 -0.016075 -0.004257 -0.015171 33O 3s -0.000119 -0.030760 -0.012962 0.027526 0.006664 0.023266 33O 4s -0.000712 -0.029588 -0.012780 0.029598 0.008688 0.037919 33O 5s 0.003170 -0.038752 -0.035824 0.030497 0.020085 0.010474 33O 1pz 0.072148 -0.086149 -0.020241 0.087585 0.009749 0.041454 33O 1px 0.047423 -0.039136 -0.013810 0.032057 0.036331 0.154081 33O 1py -0.119338 -0.068551 -0.015705 0.067048 0.022377 0.083439 33O 2pz 0.060412 -0.070928 -0.018356 0.072846 0.010396 0.036852 33O 2px 0.039831 -0.034520 -0.010123 0.028043 0.029092 0.128574 33O 2py -0.100263 -0.057521 -0.013271 0.056762 0.018990 0.071117 33O 3pz 0.044448 -0.037891 0.001201 0.049131 -0.001962 0.017383 33O 3px 0.028336 -0.029918 -0.007495 0.022646 0.018772 0.099922 33O 3py -0.072259 -0.034214 -0.004532 0.036983 0.010517 0.047766 33O 1dz2 0.000317 -0.000073 0.000246 0.000287 0.000120 0.000545 33O 1dxz -0.000515 0.000851 0.000064 -0.001069 0.000313 0.001006 33O 1dyz -0.000543 0.000543 0.000327 -0.000213 0.000042 -0.000167 33O 1dx2y2 -0.000754 -0.000120 -0.000061 0.000184 -0.000450 -0.001382 33O 1dxy 0.001138 0.000731 0.000063 -0.000756 -0.000210 -0.000611 33O 2dz2 -0.000074 0.000482 0.000315 -0.000071 0.000602 0.000413 33O 2dxz -0.002392 0.001762 0.000531 -0.002781 -0.000313 0.000940 33O 2dyz -0.000809 0.003110 0.000610 -0.001724 -0.000090 -0.002643 33O 2dx2y2 -0.003200 0.000342 -0.000646 0.000669 -0.000026 -0.003150 33O 2dxy 0.003272 0.002377 0.000353 -0.001707 -0.000857 -0.002892 33O 1f0 0.001151 -0.000294 -0.000144 0.000166 0.000139 0.000467 33O 1f+1 -0.000531 0.000278 0.000008 -0.000344 0.000043 0.000454 33O 1f-1 -0.000093 -0.000923 -0.000315 0.000448 0.000210 0.000915 33O 1f+2 0.000414 0.000438 0.000211 -0.000050 -0.000273 -0.001079 33O 1f-2 0.000896 -0.000040 -0.000004 -0.000152 0.000013 0.000358 33O 1f+3 0.000129 0.000062 0.000024 -0.000024 -0.000053 -0.000156 33O 1f-3 0.000441 0.000190 -0.000047 -0.000148 0.000083 0.000224 34O 1s 0.000366 -0.007120 0.002069 -0.007472 0.001821 -0.004960 34O 2s 0.000880 -0.017336 0.005015 -0.018187 0.004397 -0.011900 34O 3s -0.001414 0.029887 -0.008243 0.031157 -0.007014 0.018380 34O 4s -0.002134 0.030944 -0.008933 0.034176 -0.008313 0.029689 34O 5s 0.004362 0.032152 -0.027129 0.030473 -0.023398 0.004688 34O 1pz -0.108700 0.059258 -0.006047 0.065415 -0.022048 0.069360 34O 1px -0.021861 0.013820 0.003610 0.024496 0.024005 -0.081829 34O 1py -0.071252 -0.087885 0.006249 -0.105184 0.025746 -0.075213 34O 2pz -0.090940 0.050056 -0.005020 0.055413 -0.019169 0.059011 34O 2px -0.017700 0.009948 0.000661 0.019007 0.017664 -0.068052 34O 2py -0.059984 -0.073535 0.005560 -0.088334 0.022496 -0.064480 34O 3pz -0.068619 0.028639 0.004371 0.036282 -0.005865 0.040935 34O 3px -0.011260 -0.006817 0.007767 0.007452 0.016274 -0.060443 34O 3py -0.044934 -0.040575 -0.004460 -0.057733 0.008284 -0.040125 34O 1dz2 0.000676 -0.000216 -0.000083 -0.000503 -0.000194 0.000632 34O 1dxz -0.000890 0.000164 0.000161 0.000296 -0.000204 0.000540 34O 1dyz -0.000088 0.000835 -0.000181 0.000743 -0.000139 0.000330 34O 1dx2y2 -0.000130 0.000692 -0.000009 0.000934 0.000452 -0.001127 34O 1dxy -0.000690 -0.000312 -0.000279 -0.000784 0.000094 -0.000050 34O 2dz2 0.002985 0.000617 0.000050 -0.000559 -0.000122 0.001959 34O 2dxz -0.002131 0.000214 0.000519 -0.000060 -0.000508 0.001654 34O 2dyz -0.000593 0.003827 0.000151 0.002982 -0.000310 0.002997 34O 2dx2y2 0.000795 0.001791 -0.000494 0.002905 -0.000331 -0.001542 34O 2dxy -0.002113 0.000139 -0.000075 -0.000733 0.000911 -0.000146 34O 1f0 0.000565 -0.000639 0.000044 -0.000319 0.000127 -0.000472 34O 1f+1 -0.000348 -0.000040 -0.000057 -0.000164 -0.000131 0.000514 34O 1f-1 0.000638 -0.000060 0.000008 0.000046 -0.000009 -0.000168 34O 1f+2 -0.000587 -0.000334 0.000060 -0.000108 0.000031 -0.000348 34O 1f-2 0.000676 -0.000477 0.000146 -0.000284 0.000196 -0.000594 34O 1f+3 0.000691 0.000553 -0.000136 0.000233 -0.000244 0.000890 34O 1f-3 0.000239 0.000270 0.000050 0.000454 0.000071 -0.000394 35O 1s 0.000157 0.007655 0.001125 -0.007372 -0.000742 0.006349 35O 2s 0.000379 0.018630 0.002778 -0.017919 -0.001812 0.015230 35O 3s -0.000701 -0.031981 -0.005503 0.030258 0.003032 -0.023458 35O 4s -0.000279 -0.033681 -0.002891 0.034798 0.001329 -0.038179 35O 5s 0.001811 -0.038094 0.012805 0.039670 0.024427 -0.009323 35O 1pz -0.065783 -0.097936 -0.049214 0.087801 -0.029455 -0.126950 35O 1px -0.037347 0.002364 -0.003018 0.003998 0.010065 0.122702 35O 1py 0.104649 -0.059501 -0.034945 0.055890 -0.014920 -0.029612 35O 2pz -0.054775 -0.082295 -0.040536 0.074219 -0.024543 -0.108410 35O 2px -0.030628 0.003298 0.000342 0.003437 0.009587 0.102043 35O 2py 0.087763 -0.049855 -0.027935 0.047499 -0.012550 -0.026449 35O 3pz -0.041730 -0.046257 -0.030930 0.046233 -0.020582 -0.071947 35O 3px -0.021732 0.011939 0.010574 0.000575 0.018900 0.081696 35O 3py 0.067394 -0.023702 -0.013426 0.028990 -0.003102 -0.012445 35O 1dz2 0.000527 0.000773 0.000503 -0.000714 0.000228 -0.000630 35O 1dxz -0.000446 -0.000517 -0.000372 0.000549 -0.000271 -0.000748 35O 1dyz -0.000446 0.000583 0.000126 -0.000328 0.000029 0.000041 35O 1dx2y2 -0.000479 -0.000178 -0.000320 0.000219 -0.000214 0.001457 35O 1dxy 0.000957 -0.000383 -0.000548 0.000534 -0.000300 0.000723 35O 2dz2 0.002184 0.002538 0.001938 -0.002238 0.001670 0.000295 35O 2dxz -0.000721 -0.001281 -0.000209 0.000904 -0.000801 -0.002658 35O 2dyz -0.002037 0.003439 0.001837 -0.001735 0.001240 0.002962 35O 2dx2y2 -0.000181 -0.000189 -0.000666 0.001201 -0.000210 0.003112 35O 2dxy 0.002934 -0.000244 -0.000200 0.001469 -0.000326 0.001797 35O 1f0 -0.000192 0.000192 -0.000002 -0.000203 -0.000151 -0.000174 35O 1f+1 -0.000488 -0.000216 -0.000225 0.000039 -0.000115 -0.000883 35O 1f-1 -0.000463 -0.000723 -0.000384 0.000135 -0.000256 -0.000963 35O 1f+2 -0.000790 0.000098 0.000194 0.000086 0.000190 0.000508 35O 1f-2 -0.000153 -0.000593 -0.000323 0.000395 -0.000032 -0.000346 35O 1f+3 0.000819 -0.000363 -0.000172 0.000165 -0.000047 -0.000351 35O 1f-3 -0.000011 0.000162 0.000021 -0.000293 -0.000098 -0.000689 102 103 104 105 106 107 -0.30231 -0.30174 -0.30157 -0.29957 -0.29840 -0.28739 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s -0.000462 -0.000040 -0.000050 0.003101 0.001029 -0.000173 0Rh 2s 0.001717 0.000137 0.000193 -0.011639 -0.003875 0.000670 0Rh 3s -0.001610 -0.000147 -0.000172 0.010737 0.003552 -0.000588 0Rh 4s -0.007297 -0.000576 -0.000823 0.049510 0.016496 -0.002863 0Rh 5s 0.005445 0.000312 0.000642 -0.037438 -0.012558 0.002245 0Rh 6s 0.012274 0.001421 0.001283 -0.081884 -0.027088 0.004487 0Rh 7s -0.021455 -0.002081 -0.000819 0.129458 0.039841 -0.002103 0Rh 8s 0.024969 -0.005003 -0.001116 -0.060054 -0.009890 -0.008451 0Rh 1pz 0.013496 -0.000941 -0.006493 0.003334 -0.005017 -0.007111 0Rh 1px 0.002412 0.000895 -0.002048 0.003419 -0.003970 -0.001686 0Rh 1py 0.006409 -0.006439 -0.000012 -0.002648 0.014219 -0.003041 0Rh 2pz -0.045689 0.003186 0.021962 -0.011310 0.016977 0.024098 0Rh 2px -0.008178 -0.003033 0.006924 -0.011506 0.013469 0.005715 0Rh 2py -0.021704 0.021782 0.000047 0.008975 -0.048149 0.010306 0Rh 3pz 0.036111 -0.002486 -0.017061 0.009284 -0.013276 -0.019295 0Rh 3px 0.006639 0.002487 -0.005349 0.007999 -0.011108 -0.004588 0Rh 3py 0.017229 -0.016921 -0.000138 -0.007254 0.038131 -0.008215 0Rh 4pz 0.062504 -0.004457 -0.030606 0.014586 -0.023675 -0.032883 0Rh 4px 0.010776 0.003722 -0.009744 0.018767 -0.017104 -0.007741 0Rh 4py 0.029592 -0.030371 0.000224 -0.011927 0.065902 -0.014270 0Rh 5pz -0.006034 0.000322 0.000717 -0.001520 0.002636 0.005634 0Rh 5px -0.001275 0.000963 0.000303 -0.002382 0.000889 0.001073 0Rh 5py -0.002938 0.000558 -0.000197 0.001444 -0.006339 0.002852 0Rh 6pz -0.049365 0.003103 0.055858 0.008939 0.020542 -0.042132 0Rh 6px 0.001033 -0.013824 0.018351 -0.068583 -0.000763 -0.008233 0Rh 6py -0.022402 0.058033 -0.002529 -0.004239 -0.058579 -0.020087 0Rh 1dz2 0.034582 -0.002715 -0.009469 0.001323 -0.011125 -0.020663 0Rh 1dxz -0.053511 0.004362 0.012426 -0.024752 0.009986 0.033707 0Rh 1dyz -0.003868 -0.002736 0.002685 -0.001613 0.017641 0.001148 0Rh 1dx2y2 -0.014117 -0.002226 0.003083 0.010518 0.026484 0.009098 0Rh 1dxy -0.033421 0.011576 0.001507 0.024127 -0.037877 0.018145 0Rh 2dz2 -0.000994 0.000079 0.000194 0.000047 0.000309 0.000656 0Rh 2dxz 0.001525 -0.000119 -0.000238 0.000824 -0.000249 -0.001078 0Rh 2dyz 0.000119 0.000027 -0.000055 0.000047 -0.000491 -0.000037 0Rh 2dx2y2 0.000442 0.000007 -0.000038 -0.000468 -0.000765 -0.000289 0Rh 2dxy 0.000981 -0.000184 -0.000044 -0.000748 0.001019 -0.000611 0Rh 3dz2 -0.050522 0.003987 0.014133 -0.002363 0.016149 0.030056 0Rh 3dxz 0.078506 -0.006445 -0.018648 0.035554 -0.014747 -0.049154 0Rh 3dyz 0.005580 0.004173 -0.003998 0.002360 -0.025722 -0.001652 0Rh 3dx2y2 0.020414 0.003430 -0.004671 -0.014456 -0.038393 -0.013217 0Rh 3dxy 0.048811 -0.017434 -0.002259 -0.034792 0.055408 -0.026325 0Rh 4dz2 -0.067212 0.005254 0.017514 -0.001569 0.021644 0.040569 0Rh 4dxz 0.103345 -0.008347 -0.022679 0.049509 -0.018741 -0.066056 0Rh 4dyz 0.007753 0.004703 -0.004956 0.002981 -0.033974 -0.002321 0Rh 4dx2y2 0.027924 0.003702 -0.005403 -0.022951 -0.051642 -0.017857 0Rh 4dxy 0.065017 -0.020719 -0.002901 -0.047601 0.072453 -0.035891 0Rh 5dz2 -0.049379 0.003852 0.016405 -0.004555 0.016503 0.028177 0Rh 5dxz 0.078033 -0.006597 -0.022393 0.031887 -0.016316 -0.046597 0Rh 5dyz 0.005131 0.005777 -0.004680 0.002805 -0.026290 -0.001620 0Rh 5dx2y2 0.018929 0.005222 -0.006245 -0.008551 -0.038699 -0.012251 0Rh 5dxy 0.047487 -0.022277 -0.002076 -0.033296 0.058629 -0.023954 0Rh 1f0 0.000564 -0.002275 0.003124 0.002903 -0.003525 -0.000001 0Rh 1f+1 0.000804 -0.000122 0.003476 -0.000686 -0.001309 0.001392 0Rh 1f-1 -0.005288 -0.002158 -0.002019 -0.000834 -0.002302 0.007317 0Rh 1f+2 0.002705 -0.002486 0.000708 -0.000873 -0.004277 -0.004796 0Rh 1f-2 -0.001650 -0.000654 -0.000910 0.000282 -0.002873 0.001765 0Rh 1f+3 -0.001060 -0.000931 -0.000271 -0.003423 0.000674 0.002056 0Rh 1f-3 0.001339 0.003379 0.000786 -0.001725 -0.000149 -0.000108 1Rh 1s 0.000460 -0.000051 0.000026 -0.003104 -0.001032 -0.000176 1Rh 2s -0.001710 0.000178 -0.000092 0.011652 0.003887 0.000679 1Rh 3s 0.001603 -0.000183 0.000091 -0.010748 -0.003564 -0.000597 1Rh 4s 0.007268 -0.000749 0.000389 -0.049563 -0.016546 -0.002901 1Rh 5s -0.005421 0.000449 -0.000269 0.037479 0.012593 0.002274 1Rh 6s -0.012230 0.001679 -0.000731 0.081971 0.027178 0.004550 1Rh 7s 0.021241 -0.002386 0.002279 -0.129608 -0.039887 -0.002301 1Rh 8s -0.024684 -0.005108 -0.002394 0.060155 0.009711 -0.007887 1Rh 1pz 0.013554 0.000904 0.006318 0.003482 -0.004995 0.007101 1Rh 1px 0.002419 -0.000885 0.001961 0.003471 -0.003962 0.001705 1Rh 1py 0.006441 0.006371 0.000001 -0.002675 0.014224 0.003026 1Rh 2pz -0.045886 -0.003058 -0.021368 -0.011811 0.016901 -0.024064 1Rh 2px -0.008202 0.002999 -0.006633 -0.011680 0.013442 -0.005778 1Rh 2py -0.021812 -0.021549 -0.000009 0.009068 -0.048167 -0.010255 1Rh 3pz 0.036265 0.002386 0.016580 0.009672 -0.013217 0.019266 1Rh 3px 0.006659 -0.002459 0.005147 0.008133 -0.011087 0.004636 1Rh 3py 0.017315 0.016735 0.000110 -0.007322 0.038145 0.008174 1Rh 4pz 0.062780 0.004280 0.029826 0.015287 -0.023569 0.032843 1Rh 4px 0.010804 -0.003682 0.009267 0.019015 -0.017068 0.007833 1Rh 4py 0.029737 0.030054 -0.000281 -0.012074 0.065924 0.014202 1Rh 5pz -0.006051 -0.000304 -0.000664 -0.001543 0.002622 -0.005646 1Rh 5px -0.001275 -0.000941 -0.000223 -0.002396 0.000887 -0.001089 1Rh 5py -0.002943 -0.000529 0.000189 0.001478 -0.006328 -0.002851 1Rh 6pz -0.049806 -0.002975 -0.055496 0.007844 0.020733 0.042183 1Rh 6px 0.001012 0.013376 -0.016880 -0.068917 -0.000682 0.008274 1Rh 6py -0.022657 -0.057810 0.002987 -0.004222 -0.058917 0.020120 1Rh 1dz2 -0.034539 -0.002788 -0.008948 -0.001596 0.011103 -0.020641 1Rh 1dxz 0.053771 0.004295 0.011514 0.025112 -0.009867 0.033812 1Rh 1dyz 0.003970 -0.002854 0.002859 0.001678 -0.017582 0.001306 1Rh 1dx2y2 0.014003 -0.002357 0.003428 -0.010437 -0.026391 0.009009 1Rh 1dxy 0.033508 0.011209 0.001872 -0.024133 0.037918 0.018218 1Rh 2dz2 0.000992 0.000081 0.000181 -0.000041 -0.000308 0.000655 1Rh 2dxz -0.001532 -0.000118 -0.000210 -0.000831 0.000246 -0.001082 1Rh 2dyz -0.000122 0.000031 -0.000060 -0.000048 0.000490 -0.000043 1Rh 2dx2y2 -0.000438 0.000012 -0.000052 0.000467 0.000762 -0.000286 1Rh 2dxy -0.000983 -0.000173 -0.000055 0.000747 -0.001019 -0.000614 1Rh 3dz2 0.050465 0.004095 0.013362 0.002769 -0.016115 0.030027 1Rh 3dxz -0.078889 -0.006340 -0.017328 -0.036092 0.014571 -0.049307 1Rh 3dyz -0.005726 0.004339 -0.004247 -0.002458 0.025636 -0.001876 1Rh 3dx2y2 -0.020251 0.003615 -0.005153 0.014334 0.038259 -0.013090 1Rh 3dxy -0.048943 -0.016903 -0.002780 0.034801 -0.055470 -0.026431 1Rh 4dz2 0.067117 0.005394 0.016526 0.002075 -0.021604 0.040521 1Rh 4dxz -0.103839 -0.008230 -0.020879 -0.050172 0.018513 -0.066261 1Rh 4dyz -0.007954 0.004951 -0.005302 -0.003097 0.033861 -0.002645 1Rh 4dx2y2 -0.027697 0.003975 -0.006133 0.022809 0.051459 -0.017678 1Rh 4dxy -0.065175 -0.019999 -0.003632 0.047605 -0.072529 -0.036038 1Rh 5dz2 0.049341 0.003966 0.015578 0.005006 -0.016467 0.028162 1Rh 5dxz -0.078440 -0.006447 -0.021154 -0.032516 0.016134 -0.046745 1Rh 5dyz -0.005272 0.005867 -0.004929 -0.002932 0.026190 -0.001773 1Rh 5dx2y2 -0.018786 0.005331 -0.006595 0.008396 0.038582 -0.012136 1Rh 5dxy -0.047646 -0.021787 -0.002568 0.033328 -0.058702 -0.024033 1Rh 1f0 0.000554 0.002281 -0.003185 0.002817 -0.003522 0.000007 1Rh 1f+1 0.000774 0.000128 -0.003470 -0.000779 -0.001321 -0.001395 1Rh 1f-1 -0.005272 0.002176 0.002089 -0.000788 -0.002298 -0.007307 1Rh 1f+2 0.002713 0.002476 -0.000689 -0.000896 -0.004260 0.004806 1Rh 1f-2 -0.001648 0.000684 0.000897 0.000307 -0.002864 -0.001768 1Rh 1f+3 -0.001058 0.000926 0.000362 -0.003423 0.000668 -0.002057 1Rh 1f-3 0.001312 -0.003397 -0.000742 -0.001737 -0.000154 0.000108 2C 1s -0.008981 0.000100 0.000089 -0.001097 -0.002075 0.000212 2C 2s -0.020028 0.000237 0.000216 -0.002450 -0.004624 0.000456 2C 3s 0.037433 -0.000717 -0.000619 0.004428 0.008782 0.000048 2C 4s 0.023121 0.001137 0.001117 0.003640 0.004311 -0.005233 2C 5s 0.068794 -0.014408 -0.011939 0.014492 0.016263 -0.011260 2C 1pz 0.111747 -0.000409 0.008159 0.000217 0.028242 0.016827 2C 1px 0.024526 -0.013492 -0.016113 0.028135 0.019933 -0.050690 2C 1py 0.073499 0.004422 -0.007555 0.016735 0.003834 -0.009138 2C 2pz 0.087522 -0.000049 0.005430 -0.000780 0.022076 0.012572 2C 2px 0.019786 -0.010384 -0.012221 0.024192 0.016956 -0.042724 2C 2py 0.056744 0.002363 -0.005404 0.014235 0.000561 -0.009110 2C 3pz 0.045832 -0.015057 0.010571 0.002330 0.008475 0.006543 2C 3px 0.018764 0.001927 -0.006984 0.008900 0.008824 -0.028221 2C 3py 0.028920 0.018255 -0.014979 0.005185 0.005364 -0.005571 2C 1dz2 0.003426 0.000074 -0.000290 0.000922 0.000188 -0.001212 2C 1dxz 0.002139 0.000526 0.000789 -0.000818 -0.000951 0.003319 2C 1dyz 0.004592 -0.000606 -0.000289 0.001082 0.001601 -0.001445 2C 1dx2y2 -0.001996 -0.000646 -0.000434 0.001011 -0.000710 -0.001924 2C 1dxy 0.000789 0.000574 0.000146 -0.000901 0.000683 0.002066 2C 2dz2 0.001115 -0.000527 -0.001649 0.001198 -0.000808 -0.001967 2C 2dxz 0.001392 0.001784 0.002398 -0.001228 -0.001224 0.003470 2C 2dyz 0.001500 -0.000764 -0.000050 0.000407 0.000562 -0.001659 2C 2dx2y2 -0.002674 -0.000283 -0.000073 0.000478 -0.001241 -0.001591 2C 2dxy 0.000093 0.001900 0.001152 -0.001543 0.000297 0.002856 2C 1f0 0.000113 0.000084 -0.000457 0.000369 -0.000116 -0.000844 2C 1f+1 0.000817 -0.000018 0.000362 -0.000142 0.000074 0.000637 2C 1f-1 0.000499 -0.000218 -0.000002 0.000190 0.000118 -0.000439 2C 1f+2 -0.000510 -0.000023 0.000151 -0.000097 -0.000221 0.000275 2C 1f-2 0.000017 0.000511 0.000252 -0.000373 -0.000217 0.001084 2C 1f+3 0.000282 0.000298 -0.000125 -0.000017 -0.000007 0.000284 2C 1f-3 0.000582 -0.000096 -0.000221 0.000252 0.000273 -0.000443 3C 1s -0.001464 -0.000037 0.000102 -0.003220 0.009190 0.000098 3C 2s -0.003252 -0.000101 0.000242 -0.007188 0.020450 0.000223 3C 3s 0.006136 0.000466 -0.000848 0.013600 -0.038403 -0.000485 3C 4s 0.002951 -0.001361 0.001632 0.006821 -0.021964 0.000300 3C 5s 0.009866 0.007998 -0.013381 0.041997 -0.050037 0.002453 3C 1pz -0.002697 -0.000692 0.005963 0.007085 -0.063380 0.001439 3C 1px -0.002268 0.014868 -0.006899 0.049809 -0.035496 -0.012728 3C 1py -0.029046 0.005322 0.001562 -0.032435 0.112346 -0.002887 3C 2pz -0.004324 -0.000648 0.004117 0.004288 -0.048048 0.001905 3C 2px -0.002950 0.010129 -0.005921 0.041596 -0.026694 -0.009099 3C 2py -0.023444 0.003147 0.000655 -0.024549 0.085286 -0.001614 3C 3pz 0.001521 0.006997 0.004913 0.004531 -0.014651 -0.001607 3C 3px 0.002069 0.014870 0.016028 0.019340 -0.019015 -0.017579 3C 3py -0.009701 0.009300 0.011604 -0.017852 0.045776 -0.009428 3C 1dz2 -0.000028 -0.000094 -0.000253 0.000171 0.000779 -0.000066 3C 1dxz 0.001314 -0.000340 0.000983 -0.001333 -0.002329 0.000432 3C 1dyz -0.001349 -0.000266 0.000393 -0.002623 0.003252 0.000470 3C 1dx2y2 0.000559 -0.000074 0.000056 -0.001310 0.003574 0.000188 3C 1dxy -0.000117 0.000257 0.000115 -0.000230 0.003055 -0.000492 3C 2dz2 0.000596 0.000241 -0.001284 0.001174 -0.000882 0.000270 3C 2dxz 0.001263 -0.000879 0.001391 -0.000996 -0.001251 0.000073 3C 2dyz -0.001023 -0.001033 0.000615 -0.001534 0.000831 0.000522 3C 2dx2y2 0.001246 -0.001345 0.000836 -0.001434 0.001730 0.000171 3C 2dxy 0.000157 0.002281 -0.000779 0.001246 0.000897 -0.001150 3C 1f0 0.000105 -0.000194 -0.000182 -0.000126 0.000114 0.000127 3C 1f+1 0.000111 0.000258 0.000117 0.000355 -0.000333 -0.000186 3C 1f-1 -0.000268 0.000022 0.000237 -0.000298 0.000200 0.000037 3C 1f+2 0.000070 -0.000066 0.000153 -0.000191 -0.000098 0.000083 3C 1f-2 -0.000184 0.000092 -0.000329 0.000176 0.000496 -0.000071 3C 1f+3 0.000189 -0.000374 -0.000117 0.000003 -0.000719 0.000279 3C 1f-3 0.000015 -0.000371 0.000128 -0.000651 0.000691 0.000266 4C 1s -0.002928 -0.000010 -0.000049 -0.000638 -0.001087 -0.000007 4C 2s -0.006606 -0.000050 -0.000089 -0.001420 -0.002415 -0.000019 4C 3s 0.010681 -0.000166 0.000054 0.002380 0.004113 -0.000550 4C 4s 0.002261 0.002459 -0.000231 0.003303 0.003330 0.002518 4C 5s -0.041747 0.011072 0.005441 -0.006090 -0.016920 0.012482 4C 1pz -0.084509 0.005351 0.004728 -0.010979 -0.035134 0.001359 4C 1px -0.019280 -0.010755 -0.013594 0.025341 -0.004554 -0.004612 4C 1py -0.064320 -0.003989 -0.002163 -0.009877 0.015596 0.000316 4C 2pz -0.071648 0.001058 -0.000456 -0.008848 -0.028833 -0.006824 4C 2px -0.015219 0.002773 0.001377 0.019273 -0.005282 0.017859 4C 2py -0.054134 -0.000027 0.000124 -0.007494 0.009290 0.003452 4C 3pz -0.030662 0.001534 -0.004690 0.001649 -0.007882 -0.019523 4C 3px -0.015776 -0.001245 0.005592 -0.007605 -0.012118 0.040805 4C 3py -0.022129 -0.009937 0.003530 -0.002138 -0.007773 0.004664 4C 1dz2 0.011044 0.005334 -0.001014 -0.001737 -0.000060 0.005380 4C 1dxz 0.008099 -0.007690 0.000588 0.006869 0.003117 -0.009182 4C 1dyz 0.009215 -0.004550 0.003589 0.000584 0.002670 -0.000051 4C 1dx2y2 -0.012704 -0.005671 0.004047 -0.000689 -0.003692 -0.001029 4C 1dxy -0.003142 0.007465 -0.009816 0.004161 0.001068 -0.006212 4C 2dz2 0.016979 0.006538 -0.004432 -0.004230 0.005052 0.005169 4C 2dxz 0.013747 -0.009599 0.006561 0.009543 0.007422 -0.007772 4C 2dyz 0.015556 -0.008247 0.006596 0.001806 0.002149 0.000491 4C 2dx2y2 -0.021817 -0.010051 0.008120 -0.002128 -0.003732 -0.001656 4C 2dxy -0.005137 0.017798 -0.014416 0.006091 0.001556 -0.004351 4C 1f0 0.000795 0.002836 -0.000071 -0.002099 -0.000211 0.004048 4C 1f+1 0.000808 -0.002998 0.000060 0.002081 0.001341 -0.004130 4C 1f-1 -0.000436 -0.000923 0.001362 -0.000997 -0.000486 0.001058 4C 1f+2 -0.000865 -0.001691 -0.000177 0.000943 0.000252 -0.002744 4C 1f-2 -0.000591 0.000131 -0.002552 0.002924 0.000517 -0.004624 4C 1f+3 -0.000654 0.001150 -0.003201 0.001600 0.000945 -0.003927 4C 1f-3 0.001135 0.000317 -0.000800 0.000216 -0.000325 -0.000893 5C 1s -0.000333 0.000010 0.000067 -0.000836 0.004088 0.000059 5C 2s -0.000753 0.000030 0.000149 -0.001878 0.009124 0.000112 5C 3s 0.001053 -0.000354 -0.000072 0.002976 -0.014793 -0.000298 5C 4s -0.000475 0.002536 -0.001306 -0.000944 -0.009919 0.000807 5C 5s -0.008795 0.002269 0.007309 -0.024537 0.034523 0.005125 5C 1pz 0.020302 -0.005834 0.004615 -0.027094 0.051820 -0.000091 5C 1px -0.006896 0.014109 -0.011251 0.026033 0.043105 -0.000328 5C 1py 0.031236 0.001943 -0.001935 0.038125 -0.075280 -0.000894 5C 2pz 0.013842 0.000078 0.000515 -0.020349 0.046202 -0.001551 5C 2px -0.006945 -0.000244 0.001767 0.010706 0.034082 0.004457 5C 2py 0.025122 -0.001279 -0.000149 0.030919 -0.066352 -0.000212 5C 3pz -0.001644 -0.001927 -0.002479 0.003762 0.023940 0.001533 5C 3px -0.003069 -0.004215 -0.006757 -0.020284 0.016826 0.015069 5C 3py 0.007506 -0.005562 0.002190 0.002783 -0.046608 -0.002627 5C 1dz2 0.002375 -0.005361 -0.004816 -0.001458 -0.004417 0.003843 5C 1dxz 0.001518 0.008433 0.007881 0.007368 -0.008040 -0.006267 5C 1dyz -0.002420 0.000976 -0.001327 0.001473 0.006852 -0.000532 5C 1dx2y2 -0.002281 0.001893 -0.000835 -0.000508 0.017040 -0.001191 5C 1dxy 0.000347 0.002962 0.009593 -0.010433 0.006229 -0.002396 5C 2dz2 -0.000622 -0.008197 -0.010143 -0.001489 -0.008872 0.005751 5C 2dxz 0.000691 0.012620 0.017096 0.010245 -0.015672 -0.010266 5C 2dyz -0.001704 -0.000723 -0.000686 0.001118 0.012309 -0.000209 5C 2dx2y2 -0.007460 0.001068 0.001157 -0.002603 0.029097 -0.000689 5C 2dxy 0.000083 0.010807 0.013681 -0.014638 0.012010 -0.005819 5C 1f0 0.000005 -0.001921 -0.001421 -0.000506 -0.001218 0.001324 5C 1f+1 -0.000486 0.001719 0.001514 0.000508 -0.000824 -0.001197 5C 1f-1 -0.000206 0.001401 0.000684 0.001686 0.000328 -0.000990 5C 1f+2 -0.000008 0.001884 -0.000241 0.003384 0.000464 -0.001431 5C 1f-2 0.000359 -0.001397 -0.000975 -0.002105 -0.000197 0.001079 5C 1f+3 -0.000349 -0.000456 -0.003329 0.003268 0.000340 0.000123 5C 1f-3 -0.001358 0.000857 -0.001548 0.002862 0.001603 -0.000619 6C 1s 0.000335 0.000018 0.000054 0.000849 -0.004092 0.000067 6C 2s 0.000759 0.000048 0.000120 0.001906 -0.009135 0.000131 6C 3s -0.001069 -0.000390 -0.000021 -0.002999 0.014788 -0.000311 6C 4s 0.000504 0.002586 -0.001411 0.000692 0.010083 0.000643 6C 5s 0.008591 0.002502 0.006866 0.024792 -0.034223 0.005073 6C 1pz 0.020355 0.005482 -0.004146 -0.027260 0.051868 0.000061 6C 1px -0.006838 -0.013896 0.010324 0.026309 0.043113 0.000237 6C 1py 0.031304 -0.001717 0.000888 0.038194 -0.075289 0.000912 6C 2pz 0.013892 -0.000296 -0.000208 -0.020371 0.046240 0.001506 6C 2px -0.006915 0.000180 -0.002148 0.010590 0.034094 -0.004420 6C 2py 0.025200 0.001423 -0.000668 0.030923 -0.066360 0.000249 6C 3pz -0.001696 0.001847 0.002544 0.003954 0.023979 -0.001634 6C 3px -0.003004 0.003957 0.007390 -0.019987 0.017097 -0.014866 6C 3py 0.007517 0.005818 -0.002250 0.002442 -0.046576 0.002573 6C 1dz2 -0.002433 -0.005336 -0.004885 0.001357 0.004392 0.003845 6C 1dxz -0.001434 0.008349 0.008102 -0.007202 0.008071 -0.006270 6C 1dyz 0.002416 0.000965 -0.001276 -0.001506 -0.006857 -0.000524 6C 1dx2y2 0.002282 0.001906 -0.000796 0.000494 -0.017052 -0.001176 6C 1dxy -0.000270 0.003014 0.009338 0.010667 -0.006181 -0.002395 6C 2dz2 0.000523 -0.008213 -0.010265 0.001269 0.008803 0.005771 6C 2dxz -0.000538 0.012512 0.017388 -0.009837 0.015747 -0.010282 6C 2dyz 0.001696 -0.000705 -0.000615 -0.001104 -0.012327 -0.000199 6C 2dx2y2 0.007479 0.001143 0.001141 0.002648 -0.029107 -0.000695 6C 2dxy 0.000059 0.010812 0.013340 0.014943 -0.011963 -0.005775 6C 1f0 0.000023 0.001911 0.001445 -0.000476 -0.001214 -0.001321 6C 1f+1 -0.000506 -0.001703 -0.001530 0.000474 -0.000833 0.001194 6C 1f-1 -0.000216 -0.001386 -0.000734 0.001673 0.000327 0.000989 6C 1f+2 -0.000013 -0.001856 0.000144 0.003399 0.000466 0.001428 6C 1f-2 0.000371 0.001381 0.001039 -0.002081 -0.000195 -0.001078 6C 1f+3 -0.000326 0.000478 0.003247 0.003352 0.000360 -0.000129 6C 1f-3 -0.001352 -0.000838 0.001471 0.002906 0.001605 0.000620 7C 1s 0.002949 -0.000028 -0.000093 0.000634 0.001093 -0.000024 7C 2s 0.006656 -0.000090 -0.000187 0.001414 0.002428 -0.000057 7C 3s -0.010770 -0.000111 0.000221 -0.002390 -0.004121 -0.000518 7C 4s -0.002388 0.002556 -0.000151 -0.003208 -0.003440 0.002808 7C 5s 0.041546 0.011171 0.005035 0.006403 0.016861 0.012912 7C 1pz -0.084573 -0.004946 -0.003812 -0.011014 -0.035267 -0.001368 7C 1px -0.019128 0.010719 0.013390 0.025604 -0.004515 0.004764 7C 1py -0.064543 0.004170 0.002836 -0.009861 0.015476 -0.000298 7C 2pz -0.071656 -0.000774 0.001244 -0.008826 -0.028839 0.006807 7C 2px -0.015269 -0.002640 -0.001628 0.019147 -0.005315 -0.017871 7C 2py -0.054329 0.000213 0.000410 -0.007568 0.009221 -0.003481 7C 3pz -0.030400 -0.001306 0.005247 0.001805 -0.008045 0.019647 7C 3px -0.016047 0.000903 -0.004951 -0.007678 -0.012143 -0.040795 7C 3py -0.022283 0.010188 -0.003096 -0.002244 -0.007897 -0.004595 7C 1dz2 -0.011021 0.005364 -0.000950 0.001687 0.000070 0.005397 7C 1dxz -0.008118 -0.007635 0.000776 -0.006811 -0.003140 -0.009192 7C 1dyz -0.009237 -0.004496 0.003671 -0.000479 -0.002675 -0.000035 7C 1dx2y2 0.012754 -0.005704 0.003908 0.000812 0.003705 -0.001039 7C 1dxy 0.003106 0.007443 -0.009756 -0.004431 -0.001070 -0.006246 7C 2dz2 -0.016994 0.006629 -0.004365 0.004046 -0.005049 0.005157 7C 2dxz -0.013731 -0.009563 0.006888 -0.009326 -0.007419 -0.007781 7C 2dyz -0.015595 -0.008171 0.006749 -0.001628 -0.002165 0.000518 7C 2dx2y2 0.021894 -0.010101 0.007840 0.002397 0.003751 -0.001634 7C 2dxy 0.005101 0.017748 -0.014319 -0.006484 -0.001536 -0.004383 7C 1f0 0.000781 -0.002827 0.000103 -0.002077 -0.000218 -0.004044 7C 1f+1 0.000823 0.002992 -0.000110 0.002066 0.001351 0.004139 7C 1f-1 -0.000445 0.000918 -0.001335 -0.001035 -0.000486 -0.001064 7C 1f+2 -0.000848 0.001680 0.000173 0.000939 0.000258 0.002741 7C 1f-2 -0.000565 -0.000122 0.002496 0.002985 0.000526 0.004638 7C 1f+3 -0.000634 -0.001153 0.003179 0.001687 0.000953 0.003945 7C 1f-3 0.001141 -0.000327 0.000794 0.000245 -0.000323 0.000902 8C 1s 0.001464 -0.000013 0.000034 0.003229 -0.009188 0.000107 8C 2s 0.003252 -0.000048 0.000091 0.007210 -0.020446 0.000242 8C 3s -0.006139 0.000367 -0.000571 -0.013657 0.038406 -0.000521 8C 4s -0.002938 -0.001425 0.001827 -0.006761 0.021921 0.000278 8C 5s -0.009747 0.007992 -0.012802 -0.042898 0.049752 0.002376 8C 1pz -0.002749 0.000748 -0.006063 0.006966 -0.063515 -0.001316 8C 1px -0.002266 -0.014438 0.005656 0.050116 -0.035602 0.012718 8C 1py -0.029109 -0.005580 -0.000909 -0.032493 0.112277 0.002831 8C 2pz -0.004376 0.000714 -0.004131 0.004200 -0.048138 -0.001844 8C 2px -0.002940 -0.009805 0.004858 0.041827 -0.026768 0.009112 8C 2py -0.023474 -0.003338 -0.000140 -0.024570 0.085196 0.001573 8C 3pz 0.001489 -0.007245 -0.005380 0.004503 -0.014736 0.001905 8C 3px 0.001922 -0.014492 -0.016302 0.019082 -0.019326 0.017378 8C 3py -0.009763 -0.009469 -0.011450 -0.018176 0.045535 0.009471 8C 1dz2 0.000021 -0.000101 -0.000239 -0.000151 -0.000773 -0.000058 8C 1dxz -0.001328 -0.000330 0.000943 0.001349 0.002330 0.000429 8C 1dyz 0.001341 -0.000257 0.000327 0.002652 -0.003245 0.000477 8C 1dx2y2 -0.000550 -0.000054 0.000030 0.001298 -0.003580 0.000186 8C 1dxy 0.000114 0.000267 0.000112 0.000217 -0.003066 -0.000494 8C 2dz2 -0.000612 0.000224 -0.001256 -0.001192 0.000862 0.000278 8C 2dxz -0.001277 -0.000873 0.001371 0.001029 0.001254 0.000073 8C 2dyz 0.001016 -0.001018 0.000576 0.001545 -0.000799 0.000521 8C 2dx2y2 -0.001245 -0.001319 0.000802 0.001449 -0.001726 0.000169 8C 2dxy -0.000162 0.002263 -0.000751 -0.001291 -0.000896 -0.001156 8C 1f0 0.000107 0.000191 0.000188 -0.000119 0.000115 -0.000126 8C 1f+1 0.000109 -0.000255 -0.000126 0.000354 -0.000338 0.000187 8C 1f-1 -0.000270 -0.000024 -0.000230 -0.000303 0.000195 -0.000037 8C 1f+2 0.000067 0.000063 -0.000150 -0.000196 -0.000099 -0.000082 8C 1f-2 -0.000181 -0.000092 0.000325 0.000186 0.000491 0.000071 8C 1f+3 0.000193 0.000372 0.000118 0.000007 -0.000723 -0.000278 8C 1f-3 0.000019 0.000366 -0.000113 -0.000655 0.000686 -0.000267 9C 1s 0.008997 0.000062 -0.000007 0.001101 0.002081 0.000208 9C 2s 0.020064 0.000152 0.000003 0.002458 0.004639 0.000446 9C 3s -0.037504 -0.000560 -0.000235 -0.004454 -0.008810 0.000082 9C 4s -0.023157 0.001254 0.001434 -0.003566 -0.004352 -0.005253 9C 5s -0.068981 -0.014416 -0.011780 -0.014936 -0.016238 -0.011539 9C 1pz 0.111466 0.000005 -0.009160 -0.000047 0.028267 -0.016951 9C 1px 0.024699 0.013450 0.015252 0.028434 0.020033 0.050770 9C 1py 0.074313 -0.004792 0.006681 0.016982 0.004073 0.009091 9C 2pz 0.087276 -0.000266 -0.006190 -0.000991 0.022125 -0.012657 9C 2px 0.019936 0.010286 0.011550 0.024395 0.017041 0.042759 9C 2py 0.057405 -0.002621 0.004697 0.014372 0.000759 0.009032 9C 3pz 0.045494 0.014947 -0.010861 0.002013 0.008391 -0.006542 9C 3px 0.018980 -0.001020 0.005837 0.009016 0.008839 0.028300 9C 3py 0.029455 -0.018510 0.014785 0.005689 0.005436 0.005664 9C 1dz2 -0.003411 0.000087 -0.000248 -0.000929 -0.000193 -0.001216 9C 1dxz -0.002120 0.000538 0.000808 0.000864 0.000960 0.003374 9C 1dyz -0.004627 -0.000576 -0.000231 -0.001092 -0.001586 -0.001438 9C 1dx2y2 0.002006 -0.000642 -0.000438 -0.001026 0.000747 -0.001926 9C 1dxy -0.000777 0.000552 0.000116 0.000857 -0.000688 0.001987 9C 2dz2 -0.001138 -0.000513 -0.001623 -0.001229 0.000790 -0.001957 9C 2dxz -0.001357 0.001773 0.002398 0.001306 0.001235 0.003526 9C 2dyz -0.001484 -0.000751 -0.000029 -0.000394 -0.000543 -0.001656 9C 2dx2y2 0.002644 -0.000281 -0.000098 -0.000495 0.001269 -0.001595 9C 2dxy -0.000043 0.001889 0.001118 0.001545 -0.000279 0.002784 9C 1f0 0.000116 -0.000088 0.000448 0.000378 -0.000117 0.000834 9C 1f+1 0.000809 0.000017 -0.000362 -0.000147 0.000072 -0.000628 9C 1f-1 0.000504 0.000215 -0.000004 0.000191 0.000122 0.000444 9C 1f+2 -0.000505 0.000027 -0.000140 -0.000099 -0.000219 -0.000273 9C 1f-2 0.000019 -0.000509 -0.000250 -0.000380 -0.000217 -0.001091 9C 1f+3 0.000276 -0.000302 0.000118 -0.000019 -0.000014 -0.000299 9C 1f-3 0.000600 0.000093 0.000213 0.000259 0.000274 0.000444 10H 1s -0.019284 -0.007476 -0.009082 0.012911 0.003156 -0.030663 10H 2s -0.030546 -0.011926 -0.013371 0.019947 0.004778 -0.047936 10H 3s -0.037394 -0.010003 0.001327 0.004353 -0.004498 -0.016270 10H 1pz 0.002725 -0.000764 -0.000029 0.000567 0.001036 -0.000690 10H 1px 0.002531 0.000400 0.000861 -0.001028 -0.000014 0.002474 10H 1py 0.002003 0.000371 -0.000497 0.000465 -0.000005 -0.000206 11H 1s -0.015945 0.005258 0.001956 -0.004269 -0.014901 0.011068 11H 2s -0.023283 0.007760 0.003760 -0.007596 -0.022874 0.018893 11H 3s -0.025834 -0.006966 0.013818 -0.004749 -0.017178 0.005505 11H 1pz 0.002655 0.000096 0.000575 -0.000363 0.000266 0.001230 11H 1px -0.000047 0.000411 -0.000611 0.000396 -0.000419 -0.000453 11H 1py 0.003464 -0.000365 -0.000179 0.000872 0.001187 -0.001248 12H 1s -0.017086 0.002492 0.007402 -0.014312 0.000670 0.020358 12H 2s -0.027053 0.004957 0.011094 -0.022955 -0.000070 0.032678 12H 3s -0.029029 0.023873 -0.007246 -0.013328 -0.000357 0.013665 12H 1pz 0.004425 0.000403 -0.000432 0.000861 0.000847 -0.000711 12H 1px 0.000359 -0.000419 0.000139 -0.000010 0.000637 -0.000284 12H 1py 0.000539 0.000260 0.000640 -0.000921 -0.000097 0.001779 13H 1s -0.003544 0.006258 -0.005528 0.013898 0.022100 -0.006003 13H 2s -0.005808 0.009060 -0.009507 0.021905 0.036041 -0.009417 13H 3s -0.005027 -0.004176 -0.012431 -0.001943 0.039054 0.004762 13H 1pz -0.000424 0.000722 -0.000070 0.001401 -0.000324 -0.000568 13H 1px 0.000302 -0.000341 0.000395 -0.000556 -0.002946 0.000451 13H 1py -0.000841 0.000186 0.000613 -0.001328 0.003093 -0.000164 14H 1s 0.007428 -0.006240 0.003140 -0.019493 0.013935 0.005300 14H 2s 0.011176 -0.009167 0.005781 -0.031926 0.020482 0.008586 14H 3s 0.004953 0.008664 0.022829 -0.020889 0.029777 -0.009532 14H 1pz 0.000072 -0.000350 0.000252 -0.000787 -0.001021 0.000373 14H 1px 0.000743 -0.000495 -0.000078 -0.000696 -0.000451 0.000482 14H 1py -0.000544 -0.000356 -0.000333 -0.001963 0.004063 0.000476 15H 1s -0.012542 -0.000090 0.002711 -0.012147 0.014526 0.001189 15H 2s -0.018374 -0.000409 0.004391 -0.019757 0.020243 0.001504 15H 3s -0.014032 -0.009707 -0.004134 -0.015426 0.021262 0.007277 15H 1pz 0.000999 -0.000307 -0.000327 0.001440 -0.003267 0.000148 15H 1px -0.000159 0.000682 0.000184 0.001343 -0.001241 -0.000543 15H 1py -0.000281 0.000258 -0.000080 -0.000075 0.002641 -0.000156 16H 1s 0.003905 -0.000643 -0.000571 -0.001336 0.000381 -0.005949 16H 2s 0.007495 -0.002940 -0.003141 -0.004254 -0.000236 -0.006828 16H 3s -0.007003 0.002670 0.003519 -0.000495 0.000135 0.009010 16H 1pz 0.000197 -0.000620 -0.000253 0.001196 0.000728 -0.000890 16H 1px 0.000675 -0.000287 -0.000077 -0.002761 -0.001201 -0.000332 16H 1py 0.000000 0.000263 -0.000418 -0.001856 -0.001306 0.000110 17H 1s -0.000318 0.000034 0.000288 -0.002477 0.001701 0.001159 17H 2s -0.000729 -0.002308 0.003486 -0.007521 0.002296 0.002910 17H 3s 0.001671 0.002059 -0.002465 0.001860 -0.005862 -0.004276 17H 1pz -0.000061 0.000522 -0.000033 0.000785 -0.000167 -0.000312 17H 1px -0.000293 0.000183 0.000109 -0.003071 -0.001072 0.000656 17H 1py -0.000584 0.000086 0.000665 -0.001960 -0.001045 0.001146 18H 1s 0.000422 0.000063 0.000252 0.002487 -0.001697 0.001306 18H 2s 0.000883 -0.002179 0.003481 0.007576 -0.002266 0.003084 18H 3s -0.001809 0.002040 -0.002464 -0.001989 0.005727 -0.004461 18H 1pz -0.000042 -0.000504 0.000035 0.000827 -0.000144 0.000353 18H 1px -0.000290 -0.000178 -0.000008 -0.003063 -0.001071 -0.000632 18H 1py -0.000573 -0.000089 -0.000599 -0.001971 -0.001069 -0.001126 19H 1s -0.003871 -0.000624 -0.000564 0.001348 -0.000441 -0.005906 19H 2s -0.007498 -0.003043 -0.003013 0.004242 0.000136 -0.006773 19H 3s 0.007051 0.002672 0.003488 0.000532 0.000072 0.008995 19H 1pz 0.000195 0.000630 0.000206 0.001227 0.000754 0.000882 19H 1px 0.000683 0.000278 0.000152 -0.002753 -0.001182 0.000348 19H 1py 0.000038 -0.000254 0.000477 -0.001842 -0.001305 -0.000062 20H 1s 0.012535 -0.000076 0.002415 0.012374 -0.014441 0.001224 20H 2s 0.018356 -0.000388 0.003907 0.020148 -0.020106 0.001554 20H 3s 0.013957 -0.009877 -0.004738 0.015534 -0.021267 0.007481 20H 1pz 0.001000 0.000314 0.000299 0.001468 -0.003261 -0.000145 20H 1px -0.000171 -0.000667 -0.000221 0.001327 -0.001242 0.000542 20H 1py -0.000288 -0.000265 0.000078 -0.000062 0.002647 0.000156 21H 1s -0.007487 -0.006046 0.002632 0.019505 -0.013987 0.005288 21H 2s -0.011258 -0.008865 0.004951 0.031994 -0.020550 0.008560 21H 3s -0.004880 0.008770 0.022454 0.021411 -0.029569 -0.009494 21H 1pz 0.000078 0.000345 -0.000233 -0.000807 -0.001017 -0.000372 21H 1px 0.000747 0.000483 0.000105 -0.000675 -0.000452 -0.000476 21H 1py -0.000538 0.000339 0.000378 -0.001956 0.004071 -0.000478 22H 1s 0.003615 0.006192 -0.005107 -0.014091 -0.022147 -0.005987 22H 2s 0.005913 0.008959 -0.008811 -0.022210 -0.036121 -0.009384 22H 3s 0.004981 -0.003941 -0.012133 0.001706 -0.039177 0.004595 22H 1pz -0.000430 -0.000710 0.000024 0.001399 -0.000341 0.000566 22H 1px 0.000312 0.000341 -0.000379 -0.000577 -0.002960 -0.000448 22H 1py -0.000844 -0.000192 -0.000585 -0.001350 0.003073 0.000159 23H 1s 0.017286 0.002277 0.006941 0.014350 -0.000753 0.020061 23H 2s 0.027307 0.004601 0.010402 0.023021 -0.000058 0.032280 23H 3s 0.029044 0.023558 -0.007510 0.012996 0.000309 0.013416 23H 1pz 0.004437 -0.000423 0.000373 0.000868 0.000843 0.000698 23H 1px 0.000382 0.000437 -0.000134 0.000015 0.000644 0.000333 23H 1py 0.000540 -0.000250 -0.000624 -0.000932 -0.000086 -0.001775 24H 1s 0.015981 0.005268 0.001824 0.004504 0.014944 0.011474 24H 2s 0.023358 0.007787 0.003567 0.007997 0.022957 0.019548 24H 3s 0.025998 -0.007439 0.013977 0.005309 0.017242 0.005752 24H 1pz 0.002640 -0.000109 -0.000596 -0.000387 0.000266 -0.001248 24H 1px -0.000052 -0.000425 0.000590 0.000386 -0.000439 0.000398 24H 1py 0.003484 0.000356 0.000131 0.000887 0.001184 0.001265 25H 1s 0.019149 -0.007490 -0.009038 -0.013173 -0.003082 -0.030794 25H 2s 0.030393 -0.011918 -0.013333 -0.020317 -0.004655 -0.048121 25H 3s 0.037457 -0.009542 0.000673 -0.004352 0.004651 -0.016305 25H 1pz 0.002703 0.000753 0.000004 0.000573 0.001036 0.000711 25H 1px 0.002516 -0.000407 -0.000865 -0.001054 -0.000004 -0.002484 25H 1py 0.002057 -0.000396 0.000467 0.000463 -0.000001 0.000162 26O 1s 0.002200 -0.002064 -0.002643 0.003932 0.002026 0.000030 26O 2s 0.005509 -0.004999 -0.006380 0.009449 0.004914 0.000132 26O 3s -0.011371 0.008660 0.010647 -0.014637 -0.008204 -0.000707 26O 4s -0.009804 0.006853 0.010950 -0.023414 -0.011157 0.005451 26O 5s 0.041283 0.013842 0.016118 -0.020444 0.004333 -0.058754 26O 1pz 0.118897 -0.132293 0.012730 0.111847 0.046558 -0.173967 26O 1px 0.047067 -0.014035 0.088224 -0.073158 -0.030939 0.093948 26O 1py 0.084303 0.129095 -0.126476 0.030152 0.054185 -0.056228 26O 2pz 0.100233 -0.111170 0.011593 0.095719 0.040501 -0.149301 26O 2px 0.035292 -0.011316 0.074628 -0.059592 -0.025858 0.081536 26O 2py 0.070010 0.109618 -0.106694 0.027742 0.045218 -0.048444 26O 3pz 0.081211 -0.080089 0.007909 0.067779 0.024834 -0.116541 26O 3px -0.003703 -0.001005 0.060942 -0.037085 -0.027098 0.064153 26O 3py 0.042860 0.082734 -0.073348 0.018790 0.034430 -0.038567 26O 1dz2 0.001491 -0.000017 0.000166 -0.000356 0.000349 0.000346 26O 1dxz -0.001246 0.001325 -0.000343 -0.000924 -0.000148 0.001880 26O 1dyz -0.000022 0.000375 -0.000222 -0.000129 -0.000088 0.000825 26O 1dx2y2 -0.001154 0.000825 -0.001401 0.000787 0.000682 -0.001144 26O 1dxy -0.001743 -0.001407 0.001064 0.000245 -0.000592 0.000388 26O 2dz2 0.004780 -0.001157 0.001867 0.001041 0.001605 -0.002435 26O 2dxz -0.002729 0.002824 -0.000169 -0.002786 0.000078 0.004327 26O 2dyz 0.004583 0.002292 -0.001072 0.001738 0.001438 -0.003991 26O 2dx2y2 -0.001831 0.000622 -0.002650 0.000346 0.002076 -0.001856 26O 2dxy -0.001917 -0.004123 0.002996 -0.000022 -0.001684 -0.000160 26O 1f0 -0.000263 -0.000029 -0.000086 -0.000079 0.000200 -0.000004 26O 1f+1 -0.000251 -0.000720 0.000011 0.000505 0.000113 -0.000712 26O 1f-1 0.000451 -0.000673 0.000316 0.000465 0.000028 -0.000836 26O 1f+2 0.000157 -0.000765 0.000775 -0.000131 -0.000253 0.000272 26O 1f-2 0.000443 -0.000254 0.000107 0.000315 0.000140 -0.000515 26O 1f+3 0.000077 0.001045 -0.000967 0.000032 0.000665 -0.000258 26O 1f-3 -0.000554 -0.000389 -0.000129 0.000304 -0.000175 -0.000322 27O 1s -0.000584 0.002726 -0.002067 0.005843 -0.001865 -0.000075 27O 2s -0.001367 0.006580 -0.005003 0.014071 -0.004721 -0.000168 27O 3s 0.001671 -0.010962 0.008556 -0.022308 0.010270 0.000161 27O 4s 0.003587 -0.010906 0.007259 -0.035152 0.007441 0.001760 27O 5s 0.016506 -0.021866 0.018263 -0.006250 -0.044186 -0.016435 27O 1pz 0.021196 0.137460 0.109936 0.121403 -0.049180 -0.102992 27O 1px 0.031956 -0.014311 0.058185 -0.073181 -0.077881 -0.002163 27O 1py 0.016756 0.036942 0.128688 -0.149493 0.112367 -0.023494 27O 2pz 0.016790 0.115675 0.093421 0.103490 -0.041966 -0.086798 27O 2px 0.025085 -0.012370 0.049390 -0.060246 -0.060680 -0.001086 27O 2py 0.014195 0.032306 0.108507 -0.128086 0.093179 -0.019554 27O 3pz 0.019730 0.084187 0.066648 0.074938 -0.038685 -0.065787 27O 3px 0.011302 -0.014468 0.042410 -0.050530 -0.014611 0.001754 27O 3py 0.012002 0.023877 0.075868 -0.091259 0.076826 -0.012449 27O 1dz2 0.000193 0.000065 0.000419 -0.000177 -0.001368 -0.000063 27O 1dxz -0.000475 -0.001431 -0.001358 -0.001037 0.000161 0.001154 27O 1dyz 0.000161 0.000010 0.000399 -0.000507 0.000537 -0.000169 27O 1dx2y2 -0.000884 -0.000082 -0.000822 0.000637 0.001942 0.000223 27O 1dxy -0.000116 -0.000650 -0.001211 0.000921 -0.001583 0.000193 27O 2dz2 -0.000149 0.001791 0.002952 -0.000967 -0.000407 -0.000643 27O 2dxz -0.001843 -0.003576 -0.002784 -0.002265 -0.000415 0.002716 27O 2dyz 0.000319 0.000537 -0.000036 -0.005039 0.005014 0.000715 27O 2dx2y2 -0.001586 0.001190 -0.001158 -0.001338 0.003980 0.000481 27O 2dxy -0.001277 -0.001415 -0.003691 0.001630 -0.001268 0.001288 27O 1f0 -0.000408 -0.000585 -0.000739 -0.000579 0.000338 0.000602 27O 1f+1 -0.000161 0.000435 0.000038 0.000392 0.000424 -0.000219 27O 1f-1 0.000022 -0.000439 -0.000524 -0.000120 -0.000043 0.000293 27O 1f+2 0.000376 0.000612 0.000770 -0.000313 0.000274 -0.000425 27O 1f-2 -0.000135 -0.000713 -0.000595 -0.000703 0.000029 0.000569 27O 1f+3 -0.000478 -0.000331 -0.001065 0.000875 -0.000032 0.000330 27O 1f-3 -0.000217 -0.000481 -0.000346 -0.000114 -0.000752 0.000329 28O 1s 0.003086 0.002019 0.002662 -0.002874 -0.000354 -0.000186 28O 2s 0.007636 0.004860 0.006420 -0.006831 -0.000788 -0.000539 28O 3s -0.014803 -0.007981 -0.010597 0.009625 0.000408 0.001815 28O 4s -0.012957 -0.008126 -0.011391 0.019296 0.003782 -0.005828 28O 5s 0.026067 -0.015725 -0.016088 0.020980 0.011315 0.059760 28O 1pz 0.144504 0.106244 -0.049192 -0.014628 0.006903 0.095207 28O 1px 0.039071 0.107544 0.018351 -0.094932 -0.034304 0.150233 28O 1py 0.096639 -0.118949 0.148505 -0.057647 0.020539 0.101980 28O 2pz 0.119305 0.089289 -0.042415 -0.015358 0.004710 0.080761 28O 2px 0.036136 0.090908 0.014852 -0.077961 -0.027276 0.128993 28O 2py 0.081740 -0.101407 0.125289 -0.049209 0.015928 0.087378 28O 3pz 0.081085 0.061983 -0.034476 -0.013293 -0.000481 0.067211 28O 3px 0.054371 0.069041 0.018192 -0.046820 -0.013472 0.102049 28O 3py 0.064339 -0.070226 0.088532 -0.035570 0.018975 0.071583 28O 1dz2 -0.000867 -0.001258 0.000429 0.000296 0.000443 -0.001549 28O 1dxz 0.002305 0.000282 -0.000475 0.000783 0.000631 0.000055 28O 1dyz -0.000089 0.000989 -0.000755 0.000158 -0.000363 -0.000709 28O 1dx2y2 -0.000552 0.000910 0.000055 -0.001001 -0.000368 0.001348 28O 1dxy 0.001167 -0.001232 0.001457 -0.000478 0.000432 0.001037 28O 2dz2 -0.000410 -0.002053 -0.000133 0.000113 0.001824 -0.001033 28O 2dxz 0.005133 0.002012 -0.002471 -0.000163 0.000491 0.001811 28O 2dyz 0.004577 0.001311 -0.001884 -0.000148 -0.000663 0.003507 28O 2dx2y2 -0.000353 0.003895 -0.000898 -0.001171 -0.000475 0.002395 28O 2dxy 0.004190 -0.003578 0.003627 -0.001878 0.001695 0.004084 28O 1f0 0.000164 0.001296 -0.000705 -0.000167 -0.000215 0.000524 28O 1f+1 -0.000531 -0.000632 0.000734 -0.000376 0.000189 0.000075 28O 1f-1 0.000733 -0.000051 0.000242 -0.000376 0.000138 0.000933 28O 1f+2 -0.000068 0.000092 -0.000601 0.000479 0.000169 -0.000800 28O 1f-2 0.000138 0.001080 -0.000741 0.000043 -0.000413 0.000268 28O 1f+3 0.000097 0.000065 -0.000205 0.000115 -0.000014 -0.000094 28O 1f-3 -0.000268 0.000728 -0.000339 -0.000062 -0.000446 0.000135 29O 1s 0.000869 -0.000170 -0.000046 -0.001577 0.000171 -0.000861 29O 2s 0.002112 -0.000406 -0.000109 -0.003959 0.000348 -0.002056 29O 3s -0.003551 0.000527 0.000159 0.008395 0.000335 0.002975 29O 4s -0.003815 0.000927 0.000402 -0.002038 -0.005320 0.006436 29O 5s -0.008323 0.003773 -0.000501 0.038996 0.010283 -0.000720 29O 1pz -0.005998 0.000542 0.000695 0.020121 0.009696 0.008562 29O 1px 0.000098 0.002472 0.003128 -0.069192 -0.029272 0.012078 29O 1py -0.007847 0.005035 0.003160 -0.044893 -0.029797 0.020489 29O 2pz -0.004735 0.000177 0.000799 0.016503 0.008028 0.005774 29O 2px -0.000364 0.002621 0.002748 -0.056996 -0.024711 0.009971 29O 2py -0.006532 0.005027 0.002719 -0.038469 -0.025745 0.017002 29O 3pz -0.001640 0.000446 -0.005711 0.018995 0.007595 0.008105 29O 3px 0.003052 0.001261 -0.000256 -0.058493 -0.023359 0.008656 29O 3py -0.003613 -0.002826 0.002761 -0.034004 -0.017890 0.015585 29O 1dz2 0.000149 0.000001 -0.000029 0.000023 -0.000081 -0.000205 29O 1dxz -0.000203 0.000016 0.000024 0.000263 0.000199 0.000257 29O 1dyz 0.000163 -0.000024 -0.000090 -0.000003 0.000022 -0.000246 29O 1dx2y2 -0.000098 0.000064 0.000045 -0.000848 -0.000374 0.000283 29O 1dxy -0.000080 -0.000008 -0.000033 0.000314 -0.000048 0.000070 29O 2dz2 0.000389 0.000068 0.000108 -0.000739 -0.000556 -0.000436 29O 2dxz -0.000547 0.000135 -0.000044 0.000526 0.000466 0.000610 29O 2dyz 0.000497 -0.000123 0.000409 -0.000459 -0.000124 -0.000890 29O 2dx2y2 -0.000480 0.000215 0.000196 -0.002193 -0.001275 0.001084 29O 2dxy -0.000381 0.000036 0.000150 0.002243 0.000363 0.000146 29O 1f0 -0.000050 -0.000034 -0.000015 0.000326 0.000149 0.000053 29O 1f+1 -0.000115 0.000039 0.000037 -0.000397 -0.000151 0.000206 29O 1f-1 -0.000093 -0.000008 0.000002 -0.000345 -0.000223 0.000207 29O 1f+2 0.000082 0.000010 -0.000014 -0.000132 -0.000074 -0.000060 29O 1f-2 0.000013 -0.000002 0.000043 -0.000337 -0.000219 0.000021 29O 1f+3 0.000027 0.000001 -0.000015 0.000239 0.000204 -0.000122 29O 1f-3 -0.000020 0.000049 0.000008 -0.000403 -0.000184 0.000081 30O 1s 0.001286 -0.002751 0.001958 -0.004299 -0.004760 -0.000074 30O 2s 0.003114 -0.006636 0.004743 -0.010230 -0.011677 -0.000198 30O 3s -0.005136 0.011047 -0.008163 0.014639 0.021158 0.000509 30O 4s -0.007619 0.011108 -0.006749 0.026985 0.023352 -0.001033 30O 5s 0.001041 0.017582 -0.016628 0.036252 -0.022579 0.010676 30O 1pz 0.037606 -0.112465 -0.139030 0.019351 -0.085621 0.087802 30O 1px 0.040409 -0.077554 0.022106 -0.141531 -0.099472 0.048193 30O 1py -0.017515 -0.056650 -0.113729 0.015980 0.156335 0.034779 30O 2pz 0.031068 -0.094691 -0.118158 0.013097 -0.071775 0.073904 30O 2px 0.034159 -0.065323 0.018534 -0.117248 -0.086504 0.041305 30O 2py -0.015833 -0.049076 -0.095727 0.017121 0.130704 0.028930 30O 3pz 0.026943 -0.062394 -0.087299 0.007746 -0.041163 0.055237 30O 3px 0.028501 -0.054732 0.017928 -0.068912 -0.091104 0.031101 30O 3py -0.008413 -0.039328 -0.065792 0.011229 0.092769 0.019295 30O 1dz2 -0.000701 0.001267 0.001088 0.000593 0.000267 -0.000917 30O 1dxz 0.000225 -0.000665 -0.001300 0.001424 -0.000911 0.000414 30O 1dyz 0.000306 -0.000057 -0.000186 0.000638 -0.001015 0.000321 30O 1dx2y2 0.000068 -0.000131 0.000622 -0.001171 -0.000905 0.000159 30O 1dxy 0.000020 -0.000937 -0.001034 -0.001190 0.001711 0.000536 30O 2dz2 -0.002709 0.001796 0.001331 0.001116 0.002683 -0.001993 30O 2dxz 0.001584 -0.002333 -0.004779 0.001357 -0.002700 0.002247 30O 2dyz -0.000107 -0.000246 0.000574 0.000857 0.002995 -0.000403 30O 2dx2y2 -0.000384 -0.001830 0.000668 -0.002258 -0.001230 0.000357 30O 2dxy -0.000662 -0.003015 -0.002457 -0.000249 0.006359 0.000673 30O 1f0 0.000021 -0.000451 -0.000284 -0.000146 0.000497 0.000201 30O 1f+1 -0.000557 0.000604 0.000854 -0.000173 0.000269 -0.000552 30O 1f-1 -0.000362 0.001029 0.001286 0.000028 0.000365 -0.000810 30O 1f+2 -0.000092 -0.000100 -0.000357 0.000429 0.000936 -0.000024 30O 1f-2 0.000061 0.000122 -0.000247 0.000650 -0.000099 -0.000030 30O 1f+3 0.000356 -0.000483 -0.000408 -0.000371 0.000208 0.000417 30O 1f-3 -0.000236 0.000321 -0.000172 0.000695 0.000165 -0.000182 31O 1s -0.001280 -0.002711 0.001823 0.004344 0.004758 -0.000091 31O 2s -0.003100 -0.006540 0.004420 0.010339 0.011671 -0.000240 31O 3s 0.005114 0.010905 -0.007686 -0.014823 -0.021147 0.000574 31O 4s 0.007587 0.010859 -0.005943 -0.027162 -0.023336 -0.000919 31O 5s -0.001112 0.017397 -0.015559 -0.036336 0.022536 0.010596 31O 1pz 0.039091 0.112146 0.139018 0.022525 -0.085046 -0.087786 31O 1px 0.040599 0.076489 -0.017728 -0.142247 -0.099587 -0.048020 31O 1py -0.016517 0.056311 0.113194 0.018632 0.156961 -0.034941 31O 2pz 0.032318 0.094429 0.118256 0.015819 -0.071277 -0.073893 31O 2px 0.034325 0.064424 -0.014907 -0.117869 -0.086602 -0.041147 31O 2py -0.014990 0.048790 0.095179 0.019327 0.131245 -0.029057 31O 3pz 0.027855 0.062108 0.087240 0.009713 -0.040936 -0.055223 31O 3px 0.028632 0.054143 -0.015620 -0.069575 -0.091151 -0.030979 31O 3py -0.007788 0.039195 0.065478 0.012804 0.093255 -0.019426 31O 1dz2 0.000715 0.001257 0.001106 -0.000568 -0.000261 -0.000916 31O 1dxz -0.000238 -0.000671 -0.001265 -0.001455 0.000904 0.000415 31O 1dyz -0.000309 -0.000061 -0.000167 -0.000641 0.001015 0.000321 31O 1dx2y2 -0.000064 -0.000125 0.000586 0.001187 0.000909 0.000158 31O 1dxy -0.000031 -0.000923 -0.001066 0.001166 -0.001716 0.000537 31O 2dz2 0.002732 0.001772 0.001370 -0.001090 -0.002684 -0.001994 31O 2dxz -0.001628 -0.002328 -0.004749 -0.001479 0.002682 0.002250 31O 2dyz 0.000110 -0.000252 0.000625 -0.000842 -0.002988 -0.000398 31O 2dx2y2 0.000384 -0.001820 0.000582 0.002275 0.001224 0.000357 31O 2dxy 0.000629 -0.002988 -0.002456 0.000196 -0.006389 0.000675 31O 1f0 0.000025 0.000448 0.000287 -0.000140 0.000501 -0.000201 31O 1f+1 -0.000566 -0.000600 -0.000848 -0.000192 0.000265 0.000552 31O 1f-1 -0.000375 -0.001024 -0.001291 -0.000001 0.000361 0.000810 31O 1f+2 -0.000089 0.000102 0.000342 0.000437 0.000940 0.000022 31O 1f-2 0.000062 -0.000116 0.000227 0.000657 -0.000098 0.000029 31O 1f+3 0.000361 0.000476 0.000418 -0.000362 0.000210 -0.000417 31O 1f-3 -0.000238 -0.000315 0.000152 0.000700 0.000166 0.000182 32O 1s -0.000841 -0.000159 -0.000068 0.001581 -0.000184 -0.000826 32O 2s -0.002043 -0.000379 -0.000166 0.003967 -0.000376 -0.001972 32O 3s 0.003445 0.000479 0.000296 -0.008411 -0.000297 0.002849 32O 4s 0.003633 0.000894 0.000307 0.002026 0.005416 0.006188 32O 5s 0.008273 0.003636 0.000068 -0.038990 -0.010289 -0.000764 32O 1pz -0.005929 -0.000395 -0.001188 0.020816 0.010166 -0.008363 32O 1px 0.000340 -0.002487 -0.001227 -0.069003 -0.029190 -0.011584 32O 1py -0.007448 -0.004957 -0.001820 -0.044905 -0.029998 -0.019923 32O 2pz -0.004682 -0.000057 -0.001203 0.017108 0.008451 -0.005600 32O 2px -0.000162 -0.002626 -0.001158 -0.056827 -0.024635 -0.009542 32O 2py -0.006186 -0.004959 -0.001565 -0.038477 -0.025932 -0.016509 32O 3pz -0.001546 -0.000246 0.005191 0.019573 0.007857 -0.007976 32O 3px 0.003222 -0.001302 0.001805 -0.058349 -0.023329 -0.008322 32O 3py -0.003299 0.002858 -0.001857 -0.034003 -0.017975 -0.015199 32O 1dz2 -0.000145 0.000000 -0.000022 -0.000028 0.000077 -0.000198 32O 1dxz 0.000207 0.000016 0.000033 -0.000252 -0.000195 0.000266 32O 1dyz -0.000164 -0.000024 -0.000090 0.000020 -0.000012 -0.000243 32O 1dx2y2 0.000097 0.000065 0.000022 0.000854 0.000378 0.000280 32O 1dxy 0.000081 -0.000009 -0.000026 -0.000306 0.000052 0.000074 32O 2dz2 -0.000375 0.000077 0.000062 0.000717 0.000541 -0.000418 32O 2dxz 0.000561 0.000136 -0.000048 -0.000476 -0.000452 0.000638 32O 2dyz -0.000490 -0.000097 0.000410 0.000528 0.000156 -0.000879 32O 2dx2y2 0.000465 0.000212 0.000125 0.002214 0.001289 0.001070 32O 2dxy 0.000382 0.000039 0.000208 -0.002233 -0.000354 0.000158 32O 1f0 -0.000047 0.000034 0.000005 0.000338 0.000158 -0.000048 32O 1f+1 -0.000113 -0.000039 -0.000024 -0.000388 -0.000146 -0.000201 32O 1f-1 -0.000089 0.000010 0.000009 -0.000338 -0.000224 -0.000204 32O 1f+2 0.000086 -0.000012 0.000018 -0.000126 -0.000068 0.000066 32O 1f-2 0.000016 -0.000001 -0.000034 -0.000353 -0.000228 -0.000022 32O 1f+3 0.000024 -0.000001 0.000008 0.000239 0.000203 0.000117 32O 1f-3 -0.000021 -0.000048 0.000002 -0.000394 -0.000178 -0.000079 33O 1s -0.003080 0.002026 0.002644 0.002929 0.000356 -0.000154 33O 2s -0.007622 0.004877 0.006380 0.006962 0.000793 -0.000463 33O 3s 0.014782 -0.008013 -0.010584 -0.009838 -0.000413 0.001699 33O 4s 0.012920 -0.008194 -0.011154 -0.019543 -0.003806 -0.006030 33O 5s -0.025882 -0.015512 -0.015531 -0.021309 -0.011220 0.059568 33O 1pz 0.144351 -0.106840 0.048314 -0.013032 0.006704 -0.095419 33O 1px 0.038398 -0.107065 -0.017273 -0.094860 -0.034672 -0.150686 33O 1py 0.096424 0.118332 -0.148100 -0.061655 0.020576 -0.102509 33O 2pz 0.119190 -0.089793 0.041758 -0.013974 0.004562 -0.080950 33O 2px 0.035567 -0.090507 -0.014011 -0.077890 -0.027600 -0.129371 33O 2py 0.081542 0.100895 -0.124935 -0.052588 0.015961 -0.087814 33O 3pz 0.081048 -0.062349 0.034147 -0.012267 -0.000613 -0.067442 33O 3px 0.053853 -0.068752 -0.018107 -0.046918 -0.013719 -0.102293 33O 3py 0.064243 0.069705 -0.088240 -0.038029 0.018948 -0.071936 33O 1dz2 0.000861 -0.001259 0.000426 -0.000281 -0.000447 -0.001549 33O 1dxz -0.002306 0.000299 -0.000447 -0.000793 -0.000630 0.000053 33O 1dyz 0.000087 0.000982 -0.000747 -0.000179 0.000362 -0.000711 33O 1dx2y2 0.000559 0.000903 0.000035 0.000999 0.000372 0.001354 33O 1dxy -0.001166 -0.001227 0.001458 0.000516 -0.000433 0.001041 33O 2dz2 0.000400 -0.002044 -0.000141 -0.000114 -0.001832 -0.001039 33O 2dxz -0.005144 0.002057 -0.002452 0.000097 -0.000491 0.001818 33O 2dyz -0.004583 0.001311 -0.001839 0.000096 0.000660 0.003511 33O 2dx2y2 0.000371 0.003875 -0.000902 0.001136 0.000488 0.002412 33O 2dxy -0.004186 -0.003564 0.003625 0.001977 -0.001697 0.004090 33O 1f0 0.000161 -0.001293 0.000706 -0.000144 -0.000217 -0.000524 33O 1f+1 -0.000534 0.000638 -0.000724 -0.000395 0.000190 -0.000074 33O 1f-1 0.000735 0.000044 -0.000239 -0.000382 0.000137 -0.000939 33O 1f+2 -0.000065 -0.000099 0.000598 0.000495 0.000169 0.000804 33O 1f-2 0.000137 -0.001074 0.000735 0.000063 -0.000414 -0.000269 33O 1f+3 0.000097 -0.000065 0.000204 0.000121 -0.000014 0.000097 33O 1f-3 -0.000270 -0.000727 0.000342 -0.000051 -0.000448 -0.000136 34O 1s 0.000578 0.002671 -0.001904 -0.005910 0.001873 -0.000071 34O 2s 0.001354 0.006447 -0.004611 -0.014233 0.004739 -0.000157 34O 3s -0.001649 -0.010750 0.007940 0.022580 -0.010299 0.000146 34O 4s -0.003559 -0.010574 0.006281 0.035425 -0.007481 0.001726 34O 5s -0.016449 -0.022055 0.018033 0.006778 0.044083 -0.016232 34O 1pz 0.019948 -0.136234 -0.113815 0.119133 -0.049479 0.102983 34O 1px 0.031626 0.013781 -0.056074 -0.074647 -0.078069 0.002316 34O 1py 0.015745 -0.037783 -0.125196 -0.152711 0.111829 0.023406 34O 2pz 0.015733 -0.114642 -0.096709 0.101555 -0.042217 0.086792 34O 2px 0.024806 0.011886 -0.047665 -0.061506 -0.060850 0.001241 34O 2py 0.013340 -0.033000 -0.105498 -0.130798 0.092731 0.019469 34O 3pz 0.018980 -0.083353 -0.069084 0.073593 -0.038848 0.065773 34O 3px 0.011097 0.013984 -0.040877 -0.051511 -0.014702 -0.001579 34O 3py 0.011377 -0.024468 -0.073830 -0.093164 0.076368 0.012402 34O 1dz2 -0.000190 0.000065 0.000411 0.000187 0.001369 -0.000065 34O 1dxz 0.000461 -0.001422 -0.001393 0.001008 -0.000163 0.001153 34O 1dyz -0.000159 0.000015 0.000389 0.000518 -0.000538 -0.000169 34O 1dx2y2 0.000879 -0.000087 -0.000804 -0.000657 -0.001945 0.000225 34O 1dxy 0.000107 -0.000654 -0.001196 -0.000951 0.001577 0.000191 34O 2dz2 0.000176 0.001793 0.002924 0.001040 0.000419 -0.000650 34O 2dxz 0.001813 -0.003558 -0.002877 0.002206 0.000410 0.002714 34O 2dyz -0.000320 0.000576 -0.000169 0.005040 -0.005006 0.000718 34O 2dx2y2 0.001588 0.001183 -0.001181 0.001317 -0.003983 0.000495 34O 2dxy 0.001250 -0.001415 -0.003670 -0.001721 0.001250 0.001280 34O 1f0 -0.000400 0.000579 0.000759 -0.000562 0.000339 -0.000601 34O 1f+1 -0.000164 -0.000429 -0.000051 0.000392 0.000423 0.000218 34O 1f-1 0.000028 0.000435 0.000530 -0.000108 -0.000041 -0.000292 34O 1f+2 0.000369 -0.000614 -0.000766 -0.000330 0.000272 0.000425 34O 1f-2 -0.000129 0.000707 0.000621 -0.000691 0.000031 -0.000570 34O 1f+3 -0.000470 0.000338 0.001046 0.000902 -0.000028 -0.000331 34O 1f-3 -0.000214 0.000479 0.000355 -0.000107 -0.000750 -0.000326 35O 1s -0.002244 -0.002043 -0.002551 -0.003987 -0.002044 0.000017 35O 2s -0.005616 -0.004948 -0.006156 -0.009580 -0.004957 0.000101 35O 3s 0.011549 0.008565 0.010283 0.014859 0.008273 -0.000660 35O 4s 0.010016 0.006773 0.010384 0.023620 0.011246 0.005537 35O 5s -0.041187 0.013857 0.016282 0.020587 -0.004294 -0.058978 35O 1pz 0.119494 0.131430 -0.015727 0.110876 0.046932 0.174060 35O 1px 0.046345 0.014187 -0.087360 -0.075311 -0.031131 -0.094357 35O 1py 0.085234 -0.129121 0.124808 0.033769 0.054307 0.056421 35O 2pz 0.100748 0.110440 -0.014139 0.094876 0.040814 0.149390 35O 2px 0.034676 0.011459 -0.073901 -0.061451 -0.026026 -0.081914 35O 2py 0.070783 -0.109630 0.105255 0.030772 0.045313 0.048590 35O 3pz 0.081459 0.079481 -0.009817 0.067113 0.025063 0.116526 35O 3px -0.004272 0.001304 -0.060272 -0.038634 -0.027247 -0.064481 35O 3py 0.043362 -0.082732 0.072358 0.020929 0.034525 0.038639 35O 1dz2 -0.001493 -0.000014 0.000174 0.000357 -0.000351 0.000345 35O 1dxz 0.001251 0.001319 -0.000369 0.000911 0.000151 0.001881 35O 1dyz 0.000019 0.000376 -0.000227 0.000122 0.000087 0.000824 35O 1dx2y2 0.001146 0.000824 -0.001394 -0.000823 -0.000683 -0.001148 35O 1dxy 0.001751 -0.001407 0.001046 -0.000212 0.000591 0.000387 35O 2dz2 -0.004777 -0.001152 0.001931 -0.000986 -0.001606 -0.002440 35O 2dxz 0.002737 0.002803 -0.000232 0.002770 -0.000067 0.004335 35O 2dyz -0.004606 0.002320 -0.001006 -0.001773 -0.001446 -0.004007 35O 2dx2y2 0.001821 0.000630 -0.002658 -0.000414 -0.002072 -0.001861 35O 2dxy 0.001935 -0.004113 0.002961 0.000108 0.001685 -0.000172 35O 1f0 -0.000262 0.000029 0.000089 -0.000077 0.000200 0.000005 35O 1f+1 -0.000249 0.000717 -0.000017 0.000501 0.000113 0.000713 35O 1f-1 0.000454 0.000669 -0.000325 0.000455 0.000031 0.000841 35O 1f+2 0.000151 0.000764 -0.000773 -0.000153 -0.000254 -0.000276 35O 1f-2 0.000445 0.000254 -0.000118 0.000312 0.000140 0.000516 35O 1f+3 0.000084 -0.001047 0.000963 0.000060 0.000665 0.000258 35O 1f-3 -0.000553 0.000386 0.000133 0.000307 -0.000173 0.000327 108 109 110 111 112 113 -0.28383 -0.28229 -0.24630 -0.23918 -0.22818 -0.22430 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s -0.000254 -0.000013 0.000120 -0.001326 -0.004807 -0.000154 0Rh 2s 0.000980 0.000064 -0.000467 0.004858 0.017691 0.000591 0Rh 3s -0.000864 -0.000036 0.000407 -0.004674 -0.016889 -0.000525 0Rh 4s -0.004192 -0.000279 0.001994 -0.020725 -0.075457 -0.002539 0Rh 5s 0.003317 0.000338 -0.001492 0.014399 0.053137 0.001947 0Rh 6s 0.006395 -0.000013 -0.003476 0.039356 0.140096 0.004372 0Rh 7s -0.000296 0.001988 0.005764 -0.045473 -0.143052 -0.005853 0Rh 8s -0.012867 -0.007830 -0.003030 -0.003631 -0.043507 -0.010880 0Rh 1pz 0.003060 -0.000129 -0.005195 0.001575 0.005630 -0.001242 0Rh 1px 0.002127 -0.000073 -0.001601 -0.004852 -0.017468 -0.000511 0Rh 1py -0.007975 0.000331 -0.002017 -0.000658 -0.002645 0.003114 0Rh 2pz -0.010365 0.000438 0.017697 -0.005340 -0.019078 0.004249 0Rh 2px -0.007204 0.000251 0.005452 0.016435 0.059195 0.001759 0Rh 2py 0.027024 -0.001118 0.006868 0.002228 0.008946 -0.010662 0Rh 3pz 0.008209 -0.000357 -0.015407 0.004241 0.014997 -0.004023 0Rh 3px 0.005697 -0.000247 -0.004790 -0.012844 -0.046481 -0.001801 0Rh 3py -0.021505 0.000840 -0.005963 -0.001716 -0.006729 0.010285 0Rh 4pz 0.014412 -0.000571 -0.021062 0.007280 0.026585 -0.003980 0Rh 4px 0.010156 -0.000183 -0.006179 -0.023063 -0.082751 -0.001343 0Rh 4py -0.037373 0.001731 -0.008261 -0.003206 -0.013525 0.009538 0Rh 5pz -0.002537 0.000020 0.000774 -0.000128 -0.000356 -0.000922 0Rh 5px -0.002468 -0.000239 -0.000426 0.000972 0.002012 -0.000556 0Rh 5py 0.006341 -0.000574 0.000684 0.000267 0.002158 0.002155 0Rh 6pz 0.015925 0.000059 -0.013667 -0.009348 -0.039837 -0.011719 0Rh 6px 0.016178 0.002723 -0.002002 0.026972 0.113931 -0.002352 0Rh 6py -0.032600 0.002390 -0.012441 -0.002896 -0.009843 0.042022 0Rh 1dz2 0.005321 0.000008 0.069135 0.097193 -0.081093 0.024496 0Rh 1dxz -0.012348 -0.000432 -0.114573 0.034265 -0.078682 -0.032426 0Rh 1dyz -0.011969 0.000726 -0.007003 -0.061989 0.002206 -0.051319 0Rh 1dx2y2 -0.010394 -0.000307 -0.023621 0.106053 0.073548 -0.057630 0Rh 1dxy 0.028602 -0.000997 -0.055756 0.021743 0.044157 0.126095 0Rh 2dz2 -0.000155 -0.000004 -0.002165 -0.003073 0.002575 -0.000710 0Rh 2dxz 0.000397 0.000011 0.003653 -0.001131 0.002550 0.001036 0Rh 2dyz 0.000392 -0.000022 0.000231 0.001953 -0.000077 0.001657 0Rh 2dx2y2 0.000329 0.000016 0.000757 -0.003310 -0.002324 0.001803 0Rh 2dxy -0.000911 0.000045 0.001805 -0.000696 -0.001529 -0.004012 0Rh 3dz2 -0.007735 0.000007 -0.101802 -0.143736 0.119309 -0.036123 0Rh 3dxz 0.017899 0.000650 0.168881 -0.050733 0.115664 0.047654 0Rh 3dyz 0.017276 -0.001057 0.010211 0.091565 -0.003356 0.075348 0Rh 3dx2y2 0.014995 0.000423 0.034664 -0.156627 -0.107708 0.084616 0Rh 3dxy -0.041389 0.001396 0.082096 -0.032031 -0.064488 -0.185429 0Rh 4dz2 -0.010408 -0.000072 -0.134589 -0.190265 0.156867 -0.047223 0Rh 4dxz 0.024128 0.000801 0.222758 -0.067354 0.151750 0.062753 0Rh 4dyz 0.023546 -0.001430 0.013856 0.121078 -0.004675 0.099624 0Rh 4dx2y2 0.020425 0.000703 0.046118 -0.206405 -0.141224 0.111583 0Rh 4dxy -0.055955 0.002094 0.108685 -0.042348 -0.086219 -0.244243 0Rh 5dz2 -0.007697 0.000376 -0.095832 -0.132206 0.115773 -0.036116 0Rh 5dxz 0.017402 0.000856 0.159757 -0.045942 0.113064 0.047254 0Rh 5dyz 0.016370 -0.000888 0.009632 0.084272 -0.002684 0.073256 0Rh 5dx2y2 0.014842 -0.000243 0.032310 -0.146645 -0.107045 0.083772 0Rh 5dxy -0.040613 0.000870 0.076791 -0.029670 -0.059829 -0.181759 0Rh 1f0 0.004535 -0.000140 0.001175 0.000888 0.003766 -0.001432 0Rh 1f+1 0.000091 -0.000007 0.003105 -0.000545 -0.003008 0.001261 0Rh 1f-1 0.002490 -0.000187 0.004101 -0.000039 -0.000452 -0.001620 0Rh 1f+2 0.004251 -0.000193 -0.004605 -0.001281 -0.005023 -0.001406 0Rh 1f-2 0.004517 -0.000185 0.000313 -0.000625 -0.001712 -0.004141 0Rh 1f+3 -0.003604 0.000046 0.000887 -0.001731 -0.005479 0.004226 0Rh 1f-3 0.001472 -0.000023 0.001510 -0.000798 -0.002767 -0.004184 1Rh 1s -0.000256 0.000020 -0.000094 -0.001326 -0.004807 0.000145 1Rh 2s 0.000985 -0.000090 0.000371 0.004857 0.017691 -0.000560 1Rh 3s -0.000869 0.000059 -0.000317 -0.004673 -0.016889 0.000495 1Rh 4s -0.004213 0.000392 -0.001582 -0.020722 -0.075456 0.002410 1Rh 5s 0.003327 -0.000429 0.001189 0.014396 0.053137 -0.001860 1Rh 6s 0.006451 -0.000155 0.002758 0.039353 0.140096 -0.004116 1Rh 7s -0.000437 -0.002010 -0.005195 -0.045505 -0.143115 0.005439 1Rh 8s -0.012620 0.008223 0.003489 -0.003662 -0.043370 0.010990 1Rh 1pz -0.003069 -0.000041 -0.005185 -0.001584 -0.005632 -0.001241 1Rh 1px -0.002136 -0.000011 -0.001673 0.004854 0.017474 -0.000476 1Rh 1py 0.007997 0.000126 -0.002040 0.000651 0.002637 0.003116 1Rh 2pz 0.010396 0.000140 0.017661 0.005369 0.019085 0.004243 1Rh 2px 0.007235 0.000041 0.005696 -0.016439 -0.059215 0.001641 1Rh 2py -0.027099 -0.000425 0.006947 -0.002204 -0.008921 -0.010669 1Rh 3pz -0.008235 -0.000117 -0.015380 -0.004267 -0.014997 -0.004017 1Rh 3px -0.005727 -0.000079 -0.004985 0.012848 0.046501 -0.001711 1Rh 3py 0.021562 0.000285 -0.006026 0.001696 0.006702 0.010290 1Rh 4pz -0.014450 -0.000170 -0.021013 -0.007313 -0.026619 -0.003981 1Rh 4px -0.010181 0.000108 -0.006505 0.023067 0.082767 -0.001168 1Rh 4py 0.037481 0.000779 -0.008370 0.003176 0.013510 0.009548 1Rh 5pz 0.002528 -0.000044 0.000783 0.000121 0.000418 -0.000908 1Rh 5px 0.002440 -0.000305 -0.000448 -0.000969 -0.001991 -0.000579 1Rh 5py -0.006358 -0.000405 0.000689 -0.000272 -0.002172 0.002151 1Rh 6pz -0.015705 0.000564 -0.013702 0.009437 0.039018 -0.011958 1Rh 6px -0.015920 0.003225 -0.001363 -0.027068 -0.114328 -0.002571 1Rh 6py 0.032462 0.001149 -0.012274 0.003102 0.009730 0.042108 1Rh 1dz2 0.005360 -0.000165 -0.069152 0.097142 -0.081322 -0.024594 1Rh 1dxz -0.012340 0.000743 0.114959 0.034570 -0.078368 0.032017 1Rh 1dyz -0.011956 -0.000374 0.007083 -0.061925 0.002141 0.051316 1Rh 1dx2y2 -0.010356 0.000587 0.023075 0.106229 0.073479 0.057576 1Rh 1dxy 0.028664 0.000172 0.055711 0.021769 0.044640 -0.125956 1Rh 2dz2 -0.000157 0.000009 0.002165 -0.003072 0.002583 0.000713 1Rh 2dxz 0.000396 -0.000021 -0.003666 -0.001140 0.002540 -0.001023 1Rh 2dyz 0.000392 0.000010 -0.000233 0.001951 -0.000076 -0.001657 1Rh 2dx2y2 0.000327 -0.000025 -0.000739 -0.003316 -0.002322 -0.001802 1Rh 2dxy -0.000914 -0.000019 -0.001804 -0.000697 -0.001544 0.004008 1Rh 3dz2 -0.007790 0.000221 0.101830 -0.143660 0.119648 0.036269 1Rh 3dxz 0.017888 -0.001100 -0.169447 -0.051186 0.115202 -0.047049 1Rh 3dyz 0.017257 0.000549 -0.010330 0.091470 -0.003260 -0.075343 1Rh 3dx2y2 0.014942 -0.000825 -0.033864 -0.156890 -0.107608 -0.084535 1Rh 3dxy -0.041477 -0.000203 -0.082031 -0.032069 -0.065202 0.185227 1Rh 4dz2 -0.010484 0.000382 0.134626 -0.190173 0.157316 0.047411 1Rh 4dxz 0.024114 -0.001408 -0.223505 -0.067938 0.151136 -0.061964 1Rh 4dyz 0.023523 0.000736 -0.014009 0.120956 -0.004553 -0.099618 1Rh 4dx2y2 0.020344 -0.001252 -0.045056 -0.206747 -0.141091 -0.111473 1Rh 4dxy -0.056084 -0.000475 -0.108601 -0.042399 -0.087153 0.243970 1Rh 5dz2 -0.007753 -0.000158 0.095846 -0.132113 0.116082 0.036270 1Rh 5dxz 0.017380 -0.001292 -0.160279 -0.046387 0.112632 -0.046670 1Rh 5dyz 0.016341 0.000409 -0.009739 0.084152 -0.002583 -0.073246 1Rh 5dx2y2 0.014830 -0.000156 -0.031561 -0.146893 -0.106947 -0.083706 1Rh 5dxy -0.040671 0.000283 -0.076721 -0.029700 -0.060526 0.181561 1Rh 1f0 -0.004537 0.000007 0.001184 -0.000882 -0.003760 -0.001435 1Rh 1f+1 -0.000099 0.000001 0.003090 0.000557 0.003022 0.001275 1Rh 1f-1 -0.002499 -0.000120 0.004100 0.000047 0.000466 -0.001622 1Rh 1f+2 -0.004257 -0.000056 -0.004625 0.001273 0.005009 -0.001399 1Rh 1f-2 -0.004528 -0.000055 0.000305 0.000625 0.001723 -0.004147 1Rh 1f+3 0.003599 -0.000058 0.000870 0.001735 0.005475 0.004240 1Rh 1f-3 -0.001469 0.000010 0.001493 0.000800 0.002787 -0.004181 2C 1s 0.000090 -0.000083 0.005112 0.000581 0.001748 -0.000956 2C 2s 0.000200 -0.000187 0.011264 0.001290 0.003951 -0.002109 2C 3s -0.000112 0.000451 -0.021350 -0.002723 -0.008740 0.003737 2C 4s -0.001602 -0.000169 -0.016467 -0.000494 0.002343 0.004843 2C 5s 0.001918 0.006581 0.101923 0.025304 0.015462 -0.030398 2C 1pz 0.004261 0.004272 -0.037212 0.005012 -0.020230 0.005834 2C 1px -0.009460 0.000605 -0.011811 0.005836 -0.005768 0.001597 2C 1py -0.004899 -0.004918 -0.023320 -0.022946 -0.006153 0.003933 2C 2pz 0.001993 0.002872 -0.024075 0.006336 -0.014355 0.004106 2C 2px -0.007926 0.000579 -0.007897 0.005682 -0.004434 0.001184 2C 2py -0.003427 -0.003521 -0.014363 -0.019679 -0.001742 0.003735 2C 3pz 0.010179 0.013832 0.029077 0.002229 -0.000609 -0.010941 2C 3px -0.008220 -0.003955 -0.012529 0.000280 0.002549 0.001614 2C 3py -0.010652 -0.016068 0.022208 0.004417 -0.002967 -0.005002 2C 1dz2 -0.000326 -0.000145 -0.001096 -0.001710 0.000099 0.000242 2C 1dxz 0.000636 0.000071 -0.000798 -0.001989 0.000351 0.000198 2C 1dyz -0.000204 0.000247 -0.001281 0.000757 -0.000745 0.000141 2C 1dx2y2 -0.000233 0.000175 0.000942 -0.001360 0.000674 -0.000176 2C 1dxy 0.000217 -0.000296 -0.000087 0.001433 -0.000467 0.000039 2C 2dz2 -0.000646 -0.000682 0.001144 -0.003425 0.001142 -0.000419 2C 2dxz 0.000830 0.000195 0.000159 -0.001493 0.001291 0.000278 2C 2dyz -0.000173 0.000485 0.002249 0.002063 -0.000239 0.000281 2C 2dx2y2 0.000130 0.000311 0.000582 -0.002508 0.000671 -0.000210 2C 2dxy -0.000286 -0.000783 0.000851 0.000299 0.000347 -0.000509 2C 1f0 -0.000244 -0.000290 -0.000016 -0.000591 0.000088 0.000051 2C 1f+1 0.000186 0.000215 -0.000176 -0.000175 -0.000153 0.000057 2C 1f-1 -0.000052 0.000122 0.000113 -0.000046 -0.000035 0.000009 2C 1f+2 0.000107 0.000091 0.000041 -0.000386 0.000216 -0.000031 2C 1f-2 0.000106 -0.000191 0.000207 -0.000111 0.000161 0.000025 2C 1f+3 -0.000067 -0.000265 -0.000062 -0.000075 -0.000011 0.000039 2C 1f-3 -0.000120 -0.000041 -0.000229 0.000120 -0.000228 0.000007 3C 1s -0.000128 0.000171 0.001239 0.000652 0.001837 0.004016 3C 2s -0.000287 0.000373 0.002738 0.001487 0.004136 0.008800 3C 3s 0.000584 -0.000586 -0.005311 -0.003278 -0.009236 -0.015582 3C 4s -0.000172 -0.000972 -0.003130 0.001591 0.003137 -0.020811 3C 5s 0.008256 0.000606 0.024916 -0.025317 0.003102 0.136305 3C 1pz -0.017127 -0.003798 -0.003632 0.015905 -0.014967 -0.010455 3C 1px 0.050508 -0.004870 -0.003718 0.001390 -0.008645 -0.011987 3C 1py 0.010185 -0.001267 0.009807 0.018600 0.014805 0.025953 3C 2pz -0.014365 -0.002625 -0.002482 0.015736 -0.009852 -0.007019 3C 2px 0.041801 -0.003105 -0.002151 0.001897 -0.006584 -0.008390 3C 2py 0.009711 -0.000668 0.005406 0.014693 0.007768 0.017833 3C 3pz -0.009467 -0.006201 0.006967 -0.006371 -0.002638 0.039555 3C 3px 0.027243 -0.018786 0.000381 -0.002783 -0.002029 0.003740 3C 3py 0.002392 -0.010237 -0.006204 0.005793 0.004661 -0.035147 3C 1dz2 0.000918 0.000199 0.000025 -0.000602 0.000237 -0.000118 3C 1dxz -0.003572 -0.000399 -0.000220 -0.001337 0.000178 -0.000600 3C 1dyz -0.002234 0.000019 0.000270 0.002051 -0.000146 0.000658 3C 1dx2y2 -0.000881 0.000092 0.000258 -0.002058 0.001034 0.001050 3C 1dxy 0.001891 -0.000199 0.000187 -0.000739 0.000553 0.000609 3C 2dz2 0.001491 0.000774 -0.001024 -0.003574 0.000605 -0.000783 3C 2dxz -0.003809 -0.000555 0.000087 -0.001697 0.000529 0.000290 3C 2dyz -0.001709 -0.000071 -0.000605 0.001599 -0.001367 -0.000875 3C 2dx2y2 -0.001437 0.000177 -0.000195 -0.002979 -0.000164 -0.000119 3C 2dxy 0.002711 -0.000857 -0.000270 -0.000383 -0.000310 -0.000746 3C 1f0 -0.000051 0.000225 -0.000027 -0.000234 -0.000020 -0.000024 3C 1f+1 0.000339 -0.000227 -0.000019 -0.000236 -0.000054 -0.000147 3C 1f-1 -0.000450 -0.000176 0.000008 0.000609 -0.000111 0.000136 3C 1f+2 -0.000628 -0.000072 -0.000032 -0.000014 -0.000134 -0.000090 3C 1f-2 0.000761 0.000145 -0.000009 0.000273 -0.000015 -0.000008 3C 1f+3 -0.000709 0.000300 0.000021 -0.000023 -0.000171 -0.000045 3C 1f-3 -0.001006 0.000156 0.000062 -0.000198 0.000188 0.000250 4C 1s -0.000019 0.000012 0.009916 -0.000811 -0.003224 -0.002187 4C 2s -0.000043 0.000044 0.021925 -0.001862 -0.007403 -0.004845 4C 3s 0.000051 -0.000273 -0.037082 0.006669 0.025717 0.008621 4C 4s 0.000201 0.000528 -0.076742 -0.010403 -0.041153 0.016356 4C 5s 0.006314 -0.000021 -0.098719 -0.015720 0.000205 0.024577 4C 1pz 0.000996 -0.001454 -0.001233 -0.032089 0.028275 0.002140 4C 1px -0.002416 -0.000526 0.000018 -0.021534 0.012641 0.000141 4C 1py 0.000684 0.000886 0.000168 0.067091 -0.006057 0.001186 4C 2pz -0.001555 -0.001352 0.002552 -0.035068 0.010608 -0.000935 4C 2px 0.002715 -0.000524 -0.000857 -0.020272 0.013496 -0.001680 4C 2py 0.000637 -0.000042 0.003811 0.060587 -0.015055 0.006507 4C 3pz -0.000399 0.000709 0.085177 0.002709 0.040538 -0.027803 4C 3px 0.012220 0.002846 0.024423 -0.007283 0.006162 -0.007022 4C 3py 0.009068 0.009487 0.057022 0.035551 0.016324 -0.015173 4C 1dz2 -0.000800 -0.003629 -0.005388 -0.002113 -0.001179 0.001196 4C 1dxz 0.000499 0.005029 -0.004292 -0.001085 -0.001020 0.000586 4C 1dyz 0.002083 0.004533 -0.005003 0.000374 -0.001834 0.000866 4C 1dx2y2 0.002519 0.005321 0.006432 -0.000417 0.002084 -0.001216 4C 1dxy -0.005777 -0.009297 0.001225 0.000176 0.000584 -0.000162 4C 2dz2 -0.001745 -0.006336 -0.011077 -0.000236 -0.004703 -0.001004 4C 2dxz 0.002466 0.009327 -0.009294 0.000729 0.002223 0.000216 4C 2dyz 0.004059 0.008423 -0.009551 -0.003142 -0.005211 0.002078 4C 2dx2y2 0.004559 0.010566 0.012481 0.001721 -0.001138 -0.004364 4C 2dxy -0.008623 -0.017191 0.002297 0.000566 -0.000998 -0.000285 4C 1f0 -0.000001 -0.001725 0.000531 0.000302 0.000003 -0.000388 4C 1f+1 -0.000050 0.001738 0.001184 0.000678 0.000128 -0.000562 4C 1f-1 0.000705 0.001149 0.000725 -0.000060 -0.000221 -0.000156 4C 1f+2 -0.000077 0.000925 -0.001249 -0.000066 -0.000256 0.000059 4C 1f-2 -0.001465 -0.001243 0.000216 -0.000523 0.000225 -0.000002 4C 1f+3 -0.001739 -0.002193 -0.000021 0.000514 -0.000298 -0.000095 4C 1f-3 -0.000441 -0.000606 0.001138 -0.000760 0.000237 -0.000039 5C 1s -0.000079 0.000108 0.002538 -0.000902 -0.003262 0.009592 5C 2s -0.000162 0.000239 0.005599 -0.002053 -0.007492 0.021268 5C 3s 0.000435 -0.000276 -0.009140 0.007192 0.025899 -0.037851 5C 4s -0.000486 -0.001364 -0.021391 -0.012245 -0.040229 -0.071983 5C 5s -0.001859 -0.005988 -0.017575 0.009932 0.002602 -0.124475 5C 1pz -0.002464 0.001083 -0.003000 -0.059442 0.030204 -0.006143 5C 1px 0.009034 0.000597 -0.000264 -0.011435 0.007905 -0.003625 5C 1py 0.001109 -0.000921 -0.001070 -0.048431 -0.006600 0.009638 5C 2pz 0.005256 0.000747 -0.006074 -0.057667 0.022075 -0.002903 5C 2px -0.018287 -0.000289 -0.000122 -0.012717 -0.000783 -0.002062 5C 2py -0.002517 -0.000714 -0.004280 -0.042917 0.006161 0.008695 5C 3pz 0.018412 0.000383 0.011383 -0.028189 0.019615 0.049486 5C 3px -0.041261 0.007780 0.009461 -0.004912 0.016711 0.044440 5C 3py -0.013496 0.004879 -0.026527 -0.010556 -0.018332 -0.095631 5C 1dz2 -0.002867 0.005754 -0.000558 -0.001721 -0.000044 -0.001289 5C 1dxz 0.003971 -0.009635 -0.001067 -0.001121 -0.001392 -0.003924 5C 1dyz 0.004383 0.000386 0.000891 0.001198 0.000563 0.002589 5C 1dx2y2 0.005655 -0.000245 0.001846 -0.000362 0.002562 0.005814 5C 1dxy -0.010039 -0.007218 0.001036 0.000610 0.001745 0.003421 5C 2dz2 -0.001805 0.010818 -0.002961 0.002862 0.002619 -0.002565 5C 2dxz 0.002108 -0.017665 -0.003137 0.000473 -0.002515 -0.007229 5C 2dyz 0.002967 0.001273 0.002787 0.001130 0.005928 0.002835 5C 2dx2y2 0.004058 -0.000899 0.003251 0.000688 -0.000108 0.012177 5C 2dxy -0.009231 -0.013605 0.001839 0.001566 0.004877 0.005820 5C 1f0 -0.001686 0.001840 -0.000065 0.000269 0.000045 0.000360 5C 1f+1 0.000902 -0.001779 0.000005 0.000919 0.000027 0.000878 5C 1f-1 0.001975 -0.001159 0.000190 0.000033 -0.000132 -0.000300 5C 1f+2 0.004954 -0.000880 -0.000111 -0.000616 0.000155 -0.000611 5C 1f-2 -0.001746 0.001300 -0.000258 -0.000034 0.000158 -0.001036 5C 1f+3 0.005239 0.002197 0.000328 -0.000115 0.000169 0.001011 5C 1f-3 0.004768 0.000394 -0.000492 0.000564 -0.000525 -0.001329 6C 1s -0.000093 -0.000107 -0.002526 -0.000916 -0.003246 -0.009600 6C 2s -0.000192 -0.000238 -0.005571 -0.002083 -0.007457 -0.021286 6C 3s 0.000488 0.000268 0.009045 0.007230 0.025835 0.037903 6C 4s -0.000416 0.001406 0.021543 -0.012044 -0.040326 0.071944 6C 5s -0.002104 0.006050 0.017458 0.009835 0.002329 0.124390 6C 1pz 0.002540 0.001012 -0.003028 0.059426 -0.030170 -0.006284 6C 1px -0.009017 0.000810 -0.000230 0.011459 -0.007933 -0.003552 6C 1py -0.001200 -0.000883 -0.001217 0.048470 0.006584 0.009630 6C 2pz -0.005185 0.000872 -0.006168 0.057660 -0.022100 -0.003032 6C 2px 0.018262 -0.000824 -0.000133 0.012692 0.000869 -0.001963 6C 2py 0.002411 -0.000791 -0.004370 0.042953 -0.006174 0.008674 6C 3pz -0.018329 0.001085 0.011564 0.028127 -0.020020 0.049466 6C 3px 0.041434 0.006587 0.009665 0.004819 -0.016865 0.044559 6C 3py 0.013538 0.004487 -0.026647 0.010675 0.018953 -0.095611 6C 1dz2 -0.003032 -0.005678 0.000562 -0.001718 -0.000043 0.001291 6C 1dxz 0.004260 0.009509 0.001079 -0.001123 -0.001398 0.003914 6C 1dyz 0.004363 -0.000507 -0.000898 0.001195 0.000567 -0.002591 6C 1dx2y2 0.005643 0.000094 -0.001859 -0.000365 0.002568 -0.005816 6C 1dxy -0.009838 0.007488 -0.001045 0.000605 0.001748 -0.003413 6C 2dz2 -0.002098 -0.010764 0.002950 0.002843 0.002621 0.002573 6C 2dxz 0.002639 0.017575 0.003150 0.000451 -0.002548 0.007210 6C 2dyz 0.002920 -0.001360 -0.002794 0.001130 0.005917 -0.002827 6C 2dx2y2 0.004029 0.000790 -0.003254 0.000713 -0.000071 -0.012183 6C 2dxy -0.008873 0.013844 -0.001854 0.001554 0.004934 -0.005795 6C 1f0 0.001734 0.001791 -0.000064 -0.000269 -0.000042 0.000360 6C 1f+1 -0.000951 -0.001753 0.000006 -0.000919 -0.000030 0.000878 6C 1f-1 -0.002008 -0.001101 0.000189 -0.000034 0.000134 -0.000298 6C 1f+2 -0.004980 -0.000737 -0.000111 0.000616 -0.000153 -0.000611 6C 1f-2 0.001783 0.001248 -0.000256 0.000032 -0.000159 -0.001039 6C 1f+3 -0.005179 0.002344 0.000326 0.000120 -0.000171 0.001009 6C 1f-3 -0.004750 0.000525 -0.000493 -0.000569 0.000524 -0.001330 7C 1s -0.000019 -0.000011 -0.009910 -0.000831 -0.003256 0.002184 7C 2s -0.000044 -0.000043 -0.021912 -0.001909 -0.007474 0.004839 7C 3s 0.000069 0.000270 0.037010 0.006784 0.025835 -0.008608 7C 4s 0.000111 -0.000506 0.076962 -0.010508 -0.040836 -0.016292 7C 5s 0.006362 -0.000141 0.098701 -0.014707 0.000248 -0.024940 7C 1pz -0.001080 -0.001483 -0.001163 0.032325 -0.028330 0.002045 7C 1px 0.002453 -0.000623 -0.000112 0.021549 -0.012609 0.000166 7C 1py -0.000646 0.000948 0.000301 -0.067019 0.005924 0.001272 7C 2pz 0.001487 -0.001438 0.002560 0.035260 -0.010620 -0.001087 7C 2px -0.002706 -0.000461 -0.000993 0.020324 -0.013498 -0.001669 7C 2py -0.000631 0.000005 0.003877 -0.060486 0.014979 0.006550 7C 3pz 0.000580 0.000640 0.085120 -0.001846 -0.040869 -0.027939 7C 3px -0.011902 0.002633 0.024561 0.007462 -0.006172 -0.007151 7C 3py -0.008753 0.009796 0.057677 -0.034991 -0.016616 -0.015370 7C 1dz2 -0.000691 0.003674 0.005383 -0.002098 -0.001160 -0.001189 7C 1dxz 0.000342 -0.005075 0.004305 -0.001074 -0.001005 -0.000592 7C 1dyz 0.001947 -0.004610 0.005019 0.000373 -0.001819 -0.000870 7C 1dx2y2 0.002361 -0.005403 -0.006448 -0.000444 0.002074 0.001219 7C 1dxy -0.005514 0.009500 -0.001225 0.000174 0.000577 0.000158 7C 2dz2 -0.001559 0.006431 0.011037 -0.000166 -0.004694 0.000984 7C 2dxz 0.002196 -0.009495 0.009316 0.000757 0.002233 -0.000262 7C 2dyz 0.003810 -0.008583 0.009609 -0.003144 -0.005201 -0.002106 7C 2dx2y2 0.004237 -0.010719 -0.012517 0.001626 -0.001125 0.004408 7C 2dxy -0.008147 0.017510 -0.002277 0.000546 -0.000982 0.000275 7C 1f0 -0.000052 -0.001734 0.000538 -0.000304 -0.000001 -0.000391 7C 1f+1 0.000100 0.001754 0.001179 -0.000680 -0.000119 -0.000557 7C 1f-1 -0.000672 0.001168 0.000726 0.000060 0.000223 -0.000159 7C 1f+2 0.000108 0.000921 -0.001253 0.000068 0.000251 0.000060 7C 1f-2 0.001430 -0.001279 0.000207 0.000524 -0.000224 0.000001 7C 1f+3 0.001682 -0.002256 -0.000023 -0.000516 0.000300 -0.000094 7C 1f-3 0.000425 -0.000630 0.001142 0.000759 -0.000231 -0.000040 8C 1s -0.000146 -0.000166 -0.001249 0.000649 0.001842 -0.004012 8C 2s -0.000327 -0.000362 -0.002760 0.001479 0.004148 -0.008793 8C 3s 0.000655 0.000563 0.005352 -0.003258 -0.009258 0.015564 8C 4s -0.000118 0.000989 0.003155 0.001574 0.003111 0.020826 8C 5s 0.008493 -0.001015 -0.025002 -0.024922 0.004004 -0.136306 8C 1pz 0.016993 -0.004379 -0.003667 -0.015910 0.014977 -0.010449 8C 1px -0.050677 -0.003401 -0.003787 -0.001390 0.008677 -0.012043 8C 1py -0.010098 -0.001045 0.009907 -0.018598 -0.014835 0.025892 8C 2pz 0.014278 -0.003095 -0.002504 -0.015742 0.009845 -0.007017 8C 2px -0.041889 -0.001896 -0.002208 -0.001900 0.006610 -0.008417 8C 2py -0.009645 -0.000439 0.005504 -0.014689 -0.007753 0.017807 8C 3pz 0.009288 -0.006833 0.006871 0.006331 0.002468 0.039448 8C 3px -0.027798 -0.017745 0.000231 0.002796 0.001905 0.003372 8C 3py -0.002601 -0.010349 -0.006310 -0.005733 -0.004462 -0.035385 8C 1dz2 0.000872 -0.000224 -0.000026 -0.000602 0.000237 0.000120 8C 1dxz -0.003545 0.000496 0.000224 -0.001371 0.000187 0.000602 8C 1dyz -0.002263 0.000045 -0.000275 0.002037 -0.000139 -0.000661 8C 1dx2y2 -0.000860 -0.000068 -0.000260 -0.002045 0.001031 -0.001046 8C 1dxy 0.001916 0.000144 -0.000186 -0.000754 0.000558 -0.000606 8C 2dz2 0.001436 -0.000821 0.001033 -0.003576 0.000605 0.000779 8C 2dxz -0.003777 0.000660 -0.000090 -0.001703 0.000532 -0.000290 8C 2dyz -0.001722 0.000127 0.000593 0.001600 -0.001376 0.000870 8C 2dx2y2 -0.001414 -0.000139 0.000200 -0.002984 -0.000170 0.000117 8C 2dxy 0.002761 0.000773 0.000261 -0.000383 -0.000321 0.000753 8C 1f0 0.000054 0.000225 -0.000027 0.000233 0.000019 -0.000025 8C 1f+1 -0.000346 -0.000216 -0.000019 0.000232 0.000056 -0.000149 8C 1f-1 0.000445 -0.000190 0.000009 -0.000612 0.000110 0.000136 8C 1f+2 0.000626 -0.000092 -0.000032 0.000013 0.000133 -0.000087 8C 1f-2 -0.000755 0.000165 -0.000009 -0.000273 0.000016 -0.000010 8C 1f+3 0.000714 0.000279 0.000019 0.000023 0.000171 -0.000045 8C 1f-3 0.001012 0.000127 0.000064 0.000201 -0.000187 0.000250 9C 1s 0.000096 0.000082 -0.005123 0.000569 0.001735 0.000959 9C 2s 0.000213 0.000184 -0.011288 0.001262 0.003921 0.002116 9C 3s -0.000137 -0.000449 0.021390 -0.002681 -0.008683 -0.003756 9C 4s -0.001606 0.000190 0.016516 -0.000335 0.002357 -0.004817 9C 5s 0.001457 -0.006462 -0.102151 0.023595 0.016197 0.030950 9C 1pz -0.004150 0.004481 -0.037104 -0.005211 0.020121 0.005835 9C 1px 0.009470 0.000505 -0.011826 -0.005878 0.005722 0.001623 9C 1py 0.004799 -0.005146 -0.023741 0.022868 0.006204 0.003990 9C 2pz -0.001918 0.002984 -0.023991 -0.006511 0.014267 0.004051 9C 2px 0.007990 0.000457 -0.007932 -0.005723 0.004417 0.001209 9C 2py 0.003337 -0.003673 -0.014664 0.019637 0.001793 0.003741 9C 3pz -0.009734 0.014191 0.029451 -0.001832 0.000527 -0.011108 9C 3px 0.007599 -0.003235 -0.012792 -0.000250 -0.002630 0.001659 9C 3py 0.010330 -0.016633 0.021786 -0.004248 0.002791 -0.004991 9C 1dz2 -0.000324 0.000157 0.001095 -0.001698 0.000101 -0.000240 9C 1dxz 0.000648 -0.000091 0.000800 -0.001976 0.000351 -0.000195 9C 1dyz -0.000215 -0.000239 0.001289 0.000710 -0.000730 -0.000145 9C 1dx2y2 -0.000242 -0.000161 -0.000947 -0.001431 0.000693 0.000179 9C 1dxy 0.000214 0.000286 0.000082 0.001423 -0.000462 -0.000039 9C 2dz2 -0.000626 0.000715 -0.001126 -0.003442 0.001121 0.000439 9C 2dxz 0.000853 -0.000233 -0.000163 -0.001494 0.001289 -0.000262 9C 2dyz -0.000187 -0.000477 -0.002271 0.002042 -0.000221 -0.000275 9C 2dx2y2 0.000125 -0.000301 -0.000550 -0.002533 0.000660 0.000179 9C 2dxy -0.000269 0.000791 -0.000851 0.000288 0.000353 0.000504 9C 1f0 0.000234 -0.000300 -0.000020 0.000596 -0.000089 0.000050 9C 1f+1 -0.000179 0.000222 -0.000178 0.000174 0.000151 0.000058 9C 1f-1 0.000057 0.000120 0.000110 0.000049 0.000037 0.000008 9C 1f+2 -0.000105 0.000093 0.000036 0.000384 -0.000211 -0.000030 9C 1f-2 -0.000115 -0.000186 0.000204 0.000115 -0.000160 0.000022 9C 1f+3 0.000055 -0.000268 -0.000058 0.000074 0.000009 0.000040 9C 1f-3 0.000121 -0.000046 -0.000236 -0.000116 0.000230 0.000010 10H 1s -0.005465 0.000187 0.004635 0.003707 0.001439 -0.000947 10H 2s -0.008626 0.000759 0.005628 0.005651 0.002262 -0.001537 10H 3s 0.002000 0.006164 0.028512 0.003657 0.001341 -0.006182 10H 1pz 0.000032 0.000442 -0.000869 0.000145 -0.000704 0.000069 10H 1px 0.000579 0.000177 0.000061 -0.000185 -0.000460 -0.000005 10H 1py -0.000223 -0.000410 -0.000306 -0.000768 -0.000259 0.000024 11H 1s 0.001292 -0.001920 0.004959 -0.015162 0.006513 -0.000429 11H 2s 0.001974 -0.002070 0.004066 -0.027482 0.010213 -0.000803 11H 3s 0.008277 0.008998 0.003467 -0.025789 0.015761 -0.002082 11H 1pz 0.000255 0.000264 -0.000962 -0.000373 -0.000571 -0.000074 11H 1px -0.000380 -0.000465 -0.000398 -0.000840 0.000012 0.000062 11H 1py -0.000116 0.000150 -0.001088 0.000338 -0.000580 0.000102 12H 1s 0.004638 0.001403 0.004585 0.013750 -0.001533 -0.000654 12H 2s 0.007686 0.000770 0.004418 0.022368 -0.003097 0.000520 12H 3s -0.008097 -0.017018 0.010359 0.020781 -0.001117 -0.000777 12H 1pz -0.000426 -0.000419 -0.001144 -0.000606 -0.000586 0.000257 12H 1px 0.000142 0.000268 -0.000667 0.000631 -0.000330 0.000178 12H 1py 0.000510 0.000052 -0.000356 0.000101 -0.000250 0.000189 13H 1s 0.030200 0.000037 0.000942 -0.003865 0.003317 0.002309 13H 2s 0.047935 0.001003 0.001160 -0.005879 0.005220 0.001725 13H 3s 0.017056 0.010577 0.006338 -0.003921 0.006732 0.023053 13H 1pz 0.001687 -0.000349 -0.000066 0.000361 -0.000313 -0.000161 13H 1px -0.002067 -0.000064 -0.000016 0.000294 -0.000580 0.000328 13H 1py -0.000121 -0.000406 0.000250 0.000544 0.000594 0.000471 14H 1s -0.022640 0.001706 0.000664 -0.010985 0.005661 0.003150 14H 2s -0.036805 0.001223 0.000018 -0.017662 0.009475 0.001493 14H 3s -0.014714 -0.016709 0.002981 -0.014741 0.010908 0.010049 14H 1pz -0.001470 -0.000016 -0.000067 0.000240 -0.000321 0.000118 14H 1px -0.001110 0.000242 -0.000224 -0.000687 0.000070 -0.000670 14H 1py -0.000873 0.000505 0.000315 0.000093 0.000894 0.000612 15H 1s -0.007872 -0.000897 0.001754 0.017270 -0.002353 0.003553 15H 2s -0.014002 -0.001011 0.002999 0.031040 -0.005199 0.001203 15H 3s -0.002688 0.007180 0.001746 0.031070 -0.000037 -0.003546 15H 1pz 0.000440 0.000238 -0.000279 -0.001041 -0.000177 -0.000545 15H 1px 0.001325 -0.000480 -0.000109 0.000209 -0.000350 -0.000590 15H 1py 0.001027 -0.000090 0.000031 -0.000300 0.000686 0.000657 16H 1s -0.001932 0.000105 0.010406 -0.002489 -0.007573 -0.002621 16H 2s -0.001485 0.000210 0.018098 -0.008180 -0.015868 -0.006032 16H 3s -0.001090 0.000428 0.006329 -0.007580 -0.022501 -0.000626 16H 1pz -0.000428 0.000117 0.000387 0.000005 0.000887 -0.001184 16H 1px 0.000411 0.000010 0.001155 -0.001488 -0.005484 0.000163 16H 1py 0.001014 -0.000068 -0.000282 -0.001011 -0.002289 0.001889 17H 1s -0.005606 0.000027 -0.004040 -0.002685 -0.007903 -0.009982 17H 2s -0.006079 -0.000106 -0.006358 -0.009758 -0.015497 -0.019000 17H 3s 0.007718 0.000680 -0.002253 -0.009232 -0.022024 -0.003575 17H 1pz 0.000817 0.000076 -0.000191 0.000845 0.002571 0.001525 17H 1px 0.000386 0.000003 -0.001480 -0.000976 -0.004995 -0.000299 17H 1py 0.000356 -0.000053 -0.001517 -0.001103 -0.002481 0.001105 18H 1s -0.005587 0.000136 0.004315 -0.002639 -0.007876 0.009867 18H 2s -0.006082 0.000267 0.006706 -0.009908 -0.015463 0.018733 18H 3s 0.007514 -0.000898 0.002381 -0.009415 -0.021859 0.003450 18H 1pz -0.000801 0.000098 -0.000131 -0.000869 -0.002616 0.001501 18H 1px -0.000398 0.000016 -0.001508 0.000929 0.004991 -0.000281 18H 1py -0.000396 -0.000043 -0.001508 0.001094 0.002457 0.001174 19H 1s -0.002062 -0.000040 -0.010319 -0.002522 -0.007620 0.002880 19H 2s -0.001682 -0.000165 -0.017984 -0.007982 -0.016095 0.006382 19H 3s -0.000871 -0.000417 -0.006271 -0.007374 -0.022722 0.000622 19H 1pz 0.000478 0.000100 0.000380 -0.000052 -0.000894 -0.001212 19H 1px -0.000398 0.000020 0.001135 0.001517 0.005470 0.000114 19H 1py -0.001014 -0.000042 -0.000223 0.001023 0.002320 0.001871 20H 1s -0.008109 0.001150 -0.001788 0.017241 -0.002332 -0.003571 20H 2s -0.014415 0.001448 -0.003046 0.030969 -0.005175 -0.001237 20H 3s -0.003062 -0.007294 -0.001878 0.030955 -0.000093 0.003406 20H 1pz -0.000465 0.000255 -0.000281 0.001039 0.000180 -0.000544 20H 1px -0.001323 -0.000441 -0.000111 -0.000222 0.000355 -0.000594 20H 1py -0.001042 -0.000062 0.000034 0.000293 -0.000685 0.000652 21H 1s -0.022528 -0.001089 -0.000667 -0.011080 0.005689 -0.003133 21H 2s -0.036622 -0.000214 -0.000001 -0.017845 0.009519 -0.001450 21H 3s -0.014189 0.017109 -0.002881 -0.014963 0.010964 -0.009773 21H 1pz 0.001483 -0.000062 -0.000070 -0.000231 0.000316 0.000115 21H 1px 0.001089 0.000216 -0.000226 0.000691 -0.000067 -0.000671 21H 1py 0.000887 0.000478 0.000321 -0.000087 -0.000896 0.000614 22H 1s 0.030240 -0.000891 -0.000946 -0.003742 0.003283 -0.002298 22H 2s 0.047957 -0.002326 -0.001168 -0.005681 0.005155 -0.001728 22H 3s 0.016707 -0.010808 -0.006406 -0.003769 0.006642 -0.023190 22H 1pz -0.001680 -0.000310 -0.000067 -0.000367 0.000315 -0.000161 22H 1px 0.002084 -0.000125 -0.000017 -0.000284 0.000579 0.000328 22H 1py 0.000128 -0.000408 0.000251 -0.000545 -0.000590 0.000465 23H 1s 0.004573 -0.001589 -0.004658 0.013896 -0.001576 0.000657 23H 2s 0.007658 -0.001086 -0.004509 0.022680 -0.003201 -0.000550 23H 3s -0.007537 0.017140 -0.010089 0.021216 -0.001214 0.000617 23H 1pz 0.000413 -0.000431 -0.001156 0.000611 0.000577 0.000261 23H 1px -0.000125 0.000283 -0.000664 -0.000623 0.000329 0.000179 23H 1py -0.000511 0.000069 -0.000362 -0.000120 0.000259 0.000195 24H 1s 0.001437 0.001926 -0.004932 -0.015096 0.006477 0.000453 24H 2s 0.002170 0.002066 -0.003996 -0.027284 0.010131 0.000804 24H 3s 0.008351 -0.009714 -0.003650 -0.025573 0.015559 0.002104 24H 1pz -0.000250 0.000275 -0.000954 0.000353 0.000571 -0.000072 24H 1px 0.000360 -0.000480 -0.000408 0.000846 -0.000016 0.000066 24H 1py 0.000122 0.000156 -0.001096 -0.000318 0.000580 0.000104 25H 1s -0.005522 -0.000012 -0.004637 0.003462 0.001493 0.000938 25H 2s -0.008724 -0.000448 -0.005676 0.005283 0.002347 0.001529 25H 3s 0.001512 -0.005743 -0.028702 0.003342 0.001275 0.006163 25H 1pz -0.000013 0.000442 -0.000858 -0.000148 0.000698 0.000065 25H 1px -0.000573 0.000195 0.000060 0.000165 0.000466 -0.000006 25H 1py 0.000206 -0.000427 -0.000320 0.000768 0.000269 0.000025 26O 1s -0.000230 -0.000081 -0.003926 0.000308 0.001193 0.000645 26O 2s -0.000538 -0.000181 -0.009508 0.000741 0.002895 0.001537 26O 3s 0.000692 0.000084 0.014601 -0.001214 -0.005084 -0.001905 26O 4s 0.002818 0.001472 0.028038 -0.001461 -0.003835 -0.007381 26O 5s -0.012995 -0.003524 -0.011965 -0.002139 -0.006355 0.011346 26O 1pz 0.006734 0.087234 -0.101880 -0.018066 -0.005661 0.020244 26O 1px 0.044232 0.051368 0.022182 -0.016992 -0.020658 -0.003021 26O 1py -0.077991 -0.137933 -0.055376 0.019958 -0.018443 0.007316 26O 2pz 0.004979 0.074049 -0.085965 -0.016532 -0.004902 0.015970 26O 2px 0.037392 0.043491 0.017445 -0.015053 -0.017735 -0.003050 26O 2py -0.065463 -0.116534 -0.047116 0.018615 -0.016925 0.007979 26O 3pz 0.002603 0.053082 -0.084491 -0.006862 -0.015596 0.026781 26O 3px 0.030445 0.032605 0.007126 -0.008714 -0.026206 0.004003 26O 3py -0.049186 -0.086230 -0.051172 -0.000497 -0.015732 -0.000509 26O 1dz2 0.000006 -0.000028 0.000727 0.000581 -0.000544 -0.000324 26O 1dxz -0.000122 -0.001048 0.000578 0.001156 0.000291 0.000007 26O 1dyz 0.000074 -0.000268 0.000637 -0.000074 0.000228 -0.000061 26O 1dx2y2 -0.000827 -0.001269 -0.000953 0.001417 -0.000142 0.000292 26O 1dxy 0.000633 0.001342 -0.000329 -0.000703 0.000891 -0.000059 26O 2dz2 -0.000056 0.001151 0.000805 0.003437 -0.002897 -0.000357 26O 2dxz -0.000175 -0.002157 -0.000719 0.004354 0.000843 0.000840 26O 2dyz -0.001276 -0.001612 -0.000889 -0.001095 0.001230 0.000592 26O 2dx2y2 -0.001730 -0.002277 -0.001051 0.005810 -0.000247 0.000757 26O 2dxy 0.001617 0.003775 -0.002153 -0.001911 0.003301 -0.000205 26O 1f0 -0.000068 -0.000065 0.000709 0.000945 -0.000198 -0.000355 26O 1f+1 0.000078 0.000399 -0.000900 0.000409 0.000528 0.000369 26O 1f-1 0.000151 0.000559 -0.000081 -0.000031 0.000469 0.000131 26O 1f+2 0.000449 0.000833 -0.000250 0.000045 -0.000413 0.000113 26O 1f-2 -0.000003 0.000230 -0.001339 0.000041 0.000231 0.000189 26O 1f+3 -0.000657 -0.001135 -0.000837 0.000791 0.000020 -0.000030 26O 1f-3 0.000038 0.000199 0.000049 -0.000386 0.000640 -0.000030 27O 1s 0.000373 -0.000118 -0.001023 0.000151 0.000636 -0.003191 27O 2s 0.000830 -0.000289 -0.002491 0.000359 0.001539 -0.007727 27O 3s -0.000814 0.000458 0.004044 -0.000617 -0.002875 0.011647 27O 4s -0.007690 0.000985 0.006333 -0.000527 -0.001785 0.024731 27O 5s 0.057674 -0.000937 -0.002956 0.007819 0.018850 -0.019035 27O 1pz 0.110895 -0.143482 -0.012753 -0.025821 -0.000852 -0.064514 27O 1px -0.084602 -0.028835 0.002010 -0.009058 -0.017077 0.011913 27O 1py -0.166225 -0.093372 0.026038 -0.008836 0.021611 0.083526 27O 2pz 0.095742 -0.121451 -0.011987 -0.023904 -0.000679 -0.054544 27O 2px -0.073765 -0.024632 0.001278 -0.009353 -0.018277 0.009084 27O 2py -0.142223 -0.079125 0.021318 -0.007979 0.020263 0.071644 27O 3pz 0.075201 -0.089533 -0.003250 -0.003404 0.000334 -0.056322 27O 3px -0.058260 -0.018972 0.001363 -0.007946 -0.025190 -0.009844 27O 3py -0.112335 -0.057019 0.025952 0.002254 0.013569 0.075441 27O 1dz2 -0.000036 -0.000181 -0.000027 0.000381 -0.000473 0.000477 27O 1dxz -0.001246 0.001690 0.000305 0.001537 -0.000105 0.000646 27O 1dyz -0.000089 -0.000324 -0.000088 -0.000569 0.000258 -0.000544 27O 1dx2y2 0.001166 0.000647 -0.000290 0.000881 0.000054 -0.001445 27O 1dxy 0.001680 0.001021 -0.000002 0.000614 -0.000890 -0.000340 27O 2dz2 -0.001721 -0.002188 0.000097 0.002724 -0.002645 0.001802 27O 2dxz -0.002145 0.003967 0.000820 0.005451 -0.001128 -0.000428 27O 2dyz -0.005521 -0.000247 0.000039 -0.002724 0.000690 -0.000011 27O 2dx2y2 -0.000168 0.000760 -0.000311 0.004534 0.001367 -0.002554 27O 2dxy 0.002096 0.003076 0.001012 0.001809 -0.003286 0.001882 27O 1f0 -0.000487 0.000824 -0.000016 0.000564 -0.000384 0.000524 27O 1f+1 0.000445 -0.000205 0.000122 0.000487 0.000275 -0.000131 27O 1f-1 -0.000063 0.000541 0.000019 -0.000652 0.000102 -0.000432 27O 1f+2 -0.000423 -0.000815 -0.000088 -0.000533 0.000007 -0.000703 27O 1f-2 -0.000692 0.000765 0.000117 -0.000068 -0.000459 0.000840 27O 1f+3 0.001131 0.000814 -0.000457 0.000381 0.000627 -0.001097 27O 1f-3 -0.000052 0.000490 -0.000301 0.000622 -0.000563 -0.000901 28O 1s 0.000116 0.000049 -0.003896 0.000157 0.000598 0.000661 28O 2s 0.000260 0.000126 -0.009465 0.000372 0.001461 0.001589 28O 3s -0.000221 -0.000278 0.015021 -0.000586 -0.002997 -0.002219 28O 4s -0.001869 -0.000278 0.025189 -0.000872 -0.000131 -0.005832 28O 5s 0.009187 -0.000105 -0.005082 0.003725 0.016020 0.007261 28O 1pz -0.025131 -0.086799 -0.078453 -0.023566 -0.015408 0.020530 28O 1px 0.004105 -0.055912 -0.062169 -0.008383 0.012671 0.017746 28O 1py 0.088129 0.142754 -0.072481 0.020543 -0.016005 0.008230 28O 2pz -0.020876 -0.073638 -0.067539 -0.022029 -0.015880 0.016337 28O 2px 0.003936 -0.047543 -0.051805 -0.007386 0.013674 0.014354 28O 2py 0.074387 0.121016 -0.061544 0.018846 -0.015041 0.008698 28O 3pz -0.014756 -0.052426 -0.069945 -0.009781 -0.021290 0.027293 28O 3px 0.003842 -0.034302 -0.039662 0.002101 0.019492 0.015130 28O 3py 0.054871 0.087502 -0.059465 0.001362 -0.010549 -0.000306 28O 1dz2 0.000257 0.001106 0.000715 0.001497 -0.000062 -0.000194 28O 1dxz -0.000171 -0.000322 0.000757 -0.000180 -0.000567 -0.000375 28O 1dyz -0.000596 -0.001039 0.000585 -0.000937 0.000521 -0.000153 28O 1dx2y2 0.000144 -0.000423 -0.001011 0.000126 -0.000065 0.000125 28O 1dxy 0.000806 0.001454 -0.000177 0.000926 -0.000649 0.000122 28O 2dz2 0.000941 0.001872 -0.000510 0.006286 -0.000326 0.000345 28O 2dxz -0.000713 -0.002091 0.002313 -0.000267 -0.003553 -0.001062 28O 2dyz -0.000421 -0.001969 -0.001023 -0.003811 0.002230 -0.000257 28O 2dx2y2 -0.000394 -0.002373 -0.001570 0.002074 0.000857 0.000036 28O 2dxy 0.002540 0.004073 0.000522 0.002996 -0.002282 0.000446 28O 1f0 -0.000428 -0.001086 -0.000882 0.000390 0.000272 0.000380 28O 1f+1 0.000448 0.000773 0.000770 0.000927 0.000125 -0.000400 28O 1f-1 0.000292 0.000171 -0.000832 0.000352 0.000352 0.000059 28O 1f+2 -0.000324 -0.000332 0.000655 0.000239 -0.000802 -0.000259 28O 1f-2 -0.000478 -0.001027 0.000929 -0.000430 0.000232 -0.000083 28O 1f+3 -0.000113 -0.000112 0.000695 -0.000088 -0.000173 0.000038 28O 1f-3 -0.000295 -0.000649 0.000062 -0.000658 0.000483 0.000100 29O 1s -0.001446 0.000000 0.000921 -0.002369 -0.007786 -0.001971 29O 2s -0.003458 0.000001 0.002224 -0.005766 -0.018894 -0.004763 29O 3s 0.005065 -0.000014 -0.003559 0.009633 0.031170 0.007659 29O 4s 0.010335 0.000122 -0.004903 0.010508 0.039595 0.010547 29O 5s 0.000542 -0.000586 -0.008578 0.025813 0.054806 0.016796 29O 1pz -0.005271 0.000026 -0.012494 0.013382 0.043188 -0.008074 29O 1px 0.005917 -0.000787 -0.016240 -0.039542 -0.129603 0.010547 29O 1py 0.029693 -0.000864 -0.023010 -0.013645 -0.045543 0.042110 29O 2pz -0.003900 0.000118 -0.011343 0.011194 0.036411 -0.007470 29O 2px 0.005761 -0.000585 -0.013946 -0.033130 -0.109513 0.008902 29O 2py 0.024578 -0.000804 -0.019260 -0.012139 -0.039112 0.035675 29O 3pz -0.005139 0.000006 0.006479 0.010330 0.032016 -0.001294 29O 3px 0.002600 -0.000576 -0.009878 -0.028796 -0.100104 0.015830 29O 3py 0.021814 -0.000365 -0.012389 -0.015865 -0.041696 0.017720 29O 1dz2 0.000169 0.000004 0.000490 0.000090 0.000403 0.000231 29O 1dxz -0.000159 0.000001 -0.000471 0.000275 0.001062 -0.000371 29O 1dyz -0.000046 0.000009 0.000539 -0.000034 -0.000126 -0.000005 29O 1dx2y2 0.000143 -0.000014 -0.000444 -0.000547 -0.001921 0.000260 29O 1dxy 0.000317 -0.000005 -0.000045 0.000227 0.000551 0.000675 29O 2dz2 0.000641 -0.000024 0.002089 -0.000476 0.000283 0.001406 29O 2dxz -0.000530 0.000006 -0.003030 0.000658 0.002551 -0.001437 29O 2dyz -0.000052 -0.000045 0.001272 -0.000176 -0.001351 -0.000960 29O 2dx2y2 0.000993 -0.000015 -0.001785 -0.001891 -0.004157 0.000162 29O 2dxy 0.001024 0.000006 -0.000793 0.001128 0.004365 0.003673 29O 1f0 -0.000057 -0.000003 -0.000121 0.000090 0.000680 -0.000108 29O 1f+1 0.000025 -0.000008 -0.000467 -0.000116 -0.000703 -0.000024 29O 1f-1 0.000197 -0.000002 -0.000363 -0.000159 -0.000522 0.000300 29O 1f+2 -0.000004 -0.000000 0.000259 -0.000069 -0.000372 0.000042 29O 1f-2 0.000193 -0.000010 0.000083 -0.000266 -0.000610 0.000474 29O 1f+3 -0.000253 0.000010 0.000058 -0.000007 0.000200 -0.000513 29O 1f-3 0.000018 0.000001 -0.000256 -0.000281 -0.000898 0.000244 30O 1s -0.000306 0.000034 -0.001125 0.000376 0.001231 -0.003200 30O 2s -0.000688 0.000054 -0.002729 0.000901 0.002990 -0.007755 30O 3s 0.000752 0.000259 0.004279 -0.001425 -0.005227 0.011784 30O 4s 0.007027 -0.001739 0.007334 -0.002032 -0.004540 0.023770 30O 5s -0.057285 0.006356 -0.000040 0.002931 -0.002030 -0.009696 30O 1pz -0.025718 0.143616 -0.008843 -0.032465 -0.009456 -0.032830 30O 1px -0.179203 0.027093 -0.019902 -0.001179 0.017727 -0.065184 30O 1py 0.118887 0.101106 0.021301 -0.012543 0.022650 0.064992 30O 2pz -0.022449 0.121530 -0.009114 -0.029517 -0.007648 -0.028243 30O 2px -0.154520 0.023058 -0.016623 -0.001161 0.015515 -0.054651 30O 2py 0.101449 0.085877 0.017599 -0.011468 0.020065 0.056147 30O 3pz -0.018730 0.088551 -0.000535 -0.012733 -0.020600 -0.040719 30O 3px -0.124262 0.017527 -0.011927 0.003442 0.015476 -0.043862 30O 3py 0.082489 0.061808 0.022216 0.002637 0.023493 0.066376 30O 1dz2 0.000603 -0.001485 0.000178 0.001664 -0.000388 0.000153 30O 1dxz 0.000742 0.001058 0.000066 -0.000619 -0.000323 0.001046 30O 1dyz -0.000885 0.000233 -0.000052 -0.000693 -0.000420 -0.000174 30O 1dx2y2 -0.002107 -0.000398 -0.000287 0.000597 -0.000449 -0.000944 30O 1dxy 0.000068 0.001141 -0.000324 -0.000499 0.000854 -0.000984 30O 2dz2 0.003208 -0.002468 0.000814 0.006837 -0.001895 -0.000119 30O 2dxz -0.000116 0.003960 -0.000393 -0.001460 -0.001932 0.002026 30O 2dyz 0.002942 0.000064 0.000304 -0.003174 -0.001564 0.001925 30O 2dx2y2 -0.003139 0.000009 -0.000029 0.003051 -0.001818 0.000159 30O 2dxy 0.003906 0.003019 -0.001086 -0.001266 0.002904 -0.002140 30O 1f0 0.000216 0.000395 0.000128 -0.000008 0.000061 -0.000100 30O 1f+1 0.000007 -0.000900 -0.000087 0.001041 -0.000103 0.000121 30O 1f-1 0.000146 -0.001317 0.000103 -0.000235 -0.000033 0.000633 30O 1f+2 0.000937 0.000302 0.000236 -0.000317 -0.000437 0.001268 30O 1f-2 0.000504 0.000092 -0.000019 -0.000534 -0.000426 -0.000404 30O 1f+3 -0.000218 0.000543 0.000375 -0.000449 0.000455 0.000677 30O 1f-3 0.000703 -0.000098 0.000300 0.000363 -0.000771 0.001102 31O 1s -0.000302 -0.000029 0.001127 0.000383 0.001220 0.003213 31O 2s -0.000676 -0.000045 0.002732 0.000918 0.002962 0.007787 31O 3s 0.000715 -0.000259 -0.004285 -0.001444 -0.005168 -0.011837 31O 4s 0.007071 0.001524 -0.007342 -0.002117 -0.004541 -0.023828 31O 5s -0.057350 -0.004542 -0.000009 0.002940 -0.002099 0.009484 31O 1pz 0.029706 0.142770 -0.008926 0.032445 0.009495 -0.032822 31O 1px 0.179855 0.022155 -0.019849 0.001097 -0.017612 -0.065361 31O 1py -0.115823 0.104341 0.021364 0.012572 -0.022709 0.064924 31O 2pz 0.025816 0.120797 -0.009186 0.029504 0.007667 -0.028246 31O 2px 0.155066 0.018791 -0.016579 0.001097 -0.015411 -0.054792 31O 2py -0.098858 0.088639 0.017653 0.011490 -0.020119 0.056102 31O 3pz 0.021303 0.087900 -0.000634 0.012671 0.020598 -0.040702 31O 3px 0.124627 0.014117 -0.011863 -0.003485 -0.015276 -0.043955 31O 3py -0.080691 0.064102 0.022315 -0.002568 -0.023375 0.066300 31O 1dz2 0.000644 0.001467 -0.000180 0.001663 -0.000387 -0.000155 31O 1dxz 0.000713 -0.001078 -0.000063 -0.000620 -0.000321 -0.001049 31O 1dyz -0.000890 -0.000207 0.000055 -0.000694 -0.000420 0.000172 31O 1dx2y2 -0.002094 0.000456 0.000288 0.000596 -0.000448 0.000942 31O 1dxy 0.000034 -0.001142 0.000322 -0.000497 0.000853 0.000989 31O 2dz2 0.003280 0.002380 -0.000824 0.006832 -0.001897 0.000105 31O 2dxz -0.000224 -0.003947 0.000396 -0.001459 -0.001918 -0.002033 31O 2dyz 0.002929 -0.000140 -0.000290 -0.003175 -0.001554 -0.001926 31O 2dx2y2 -0.003126 0.000068 0.000029 0.003049 -0.001823 -0.000167 31O 2dxy 0.003823 -0.003127 0.001082 -0.001265 0.002890 0.002153 31O 1f0 -0.000205 0.000401 0.000128 0.000010 -0.000060 -0.000100 31O 1f+1 -0.000033 -0.000898 -0.000085 -0.001041 0.000103 0.000121 31O 1f-1 -0.000184 -0.001313 0.000102 0.000235 0.000031 0.000634 31O 1f+2 -0.000927 0.000329 0.000234 0.000319 0.000435 0.001270 31O 1f-2 -0.000502 0.000106 -0.000022 0.000534 0.000426 -0.000404 31O 1f+3 0.000234 0.000536 0.000376 0.000450 -0.000455 0.000677 31O 1f-3 -0.000706 -0.000079 0.000298 -0.000362 0.000770 0.001105 32O 1s -0.001466 0.000044 -0.000844 -0.002367 -0.007791 0.001984 32O 2s -0.003505 0.000104 -0.002040 -0.005760 -0.018906 0.004795 32O 3s 0.005130 -0.000139 0.003256 0.009623 0.031189 -0.007708 32O 4s 0.010474 -0.000440 0.004496 0.010503 0.039612 -0.010639 32O 5s 0.000664 0.000581 0.008192 0.025754 0.054937 -0.016736 32O 1pz 0.005735 -0.000119 -0.012105 -0.013672 -0.043684 -0.008676 32O 1px -0.005989 -0.000589 -0.016272 0.039493 0.129510 0.010666 32O 1py -0.030074 0.000053 -0.022546 0.013702 0.045515 0.042546 32O 2pz 0.004325 0.000008 -0.011029 -0.011493 -0.036860 -0.007959 32O 2px -0.005819 -0.000393 -0.013983 0.033071 0.109423 0.009017 32O 2py -0.024910 -0.000046 -0.018877 0.012193 0.039109 0.036044 32O 3pz 0.005393 -0.000141 0.006747 -0.010922 -0.032292 -0.001761 32O 3px -0.002683 -0.000499 -0.009893 0.028633 0.100004 0.015892 32O 3py -0.021993 0.000336 -0.011892 0.015876 0.041764 0.018162 32O 1dz2 0.000164 -0.000009 -0.000474 0.000094 0.000417 -0.000216 32O 1dxz -0.000160 0.000004 0.000484 0.000269 0.001042 0.000373 32O 1dyz -0.000040 -0.000007 -0.000542 -0.000038 -0.000151 0.000002 32O 1dx2y2 0.000147 0.000010 0.000454 -0.000551 -0.001928 -0.000264 32O 1dxy 0.000319 -0.000004 0.000050 0.000224 0.000543 -0.000672 32O 2dz2 0.000637 0.000003 -0.002044 -0.000480 0.000351 -0.001358 32O 2dxz -0.000539 0.000008 0.003086 0.000660 0.002454 0.001444 32O 2dyz -0.000025 0.000047 -0.001268 -0.000236 -0.001389 0.000942 32O 2dx2y2 0.001001 -0.000019 0.001794 -0.001893 -0.004207 -0.000179 32O 2dxy 0.001023 -0.000038 0.000782 0.001109 0.004377 -0.003668 32O 1f0 0.000066 -0.000006 -0.000106 -0.000101 -0.000698 -0.000121 32O 1f+1 -0.000022 -0.000006 -0.000468 0.000103 0.000686 -0.000030 32O 1f-1 -0.000200 0.000004 -0.000358 0.000155 0.000511 0.000311 32O 1f+2 0.000011 -0.000000 0.000266 0.000068 0.000368 0.000027 32O 1f-2 -0.000198 -0.000004 0.000085 0.000277 0.000637 0.000481 32O 1f+3 0.000251 0.000001 0.000056 0.000005 -0.000202 -0.000508 32O 1f-3 -0.000015 0.000002 -0.000261 0.000276 0.000883 0.000240 33O 1s 0.000121 -0.000051 0.003887 0.000167 0.000606 -0.000656 33O 2s 0.000273 -0.000132 0.009445 0.000395 0.001479 -0.001577 33O 3s -0.000242 0.000284 -0.014993 -0.000625 -0.003009 0.002204 33O 4s -0.001884 0.000300 -0.025117 -0.000921 -0.000271 0.005783 33O 5s 0.009093 -0.000025 0.005069 0.003797 0.016181 -0.007371 33O 1pz 0.022645 -0.088182 -0.078456 0.023329 0.015149 0.020510 33O 1px -0.006029 -0.055921 -0.061845 0.008235 -0.012924 0.017572 33O 1py -0.084009 0.145852 -0.072593 -0.020629 0.015785 0.008245 33O 2pz 0.018768 -0.074810 -0.067543 0.021839 0.015664 0.016300 33O 2px -0.005565 -0.047535 -0.051541 0.007252 -0.013895 0.014225 33O 2py -0.070906 0.123637 -0.061622 -0.018912 0.014863 0.008704 33O 3pz 0.013249 -0.053181 -0.069929 0.009641 0.020884 0.027275 33O 3px -0.005069 -0.034235 -0.039425 -0.002264 -0.019573 0.015037 33O 3py -0.052251 0.089356 -0.059639 -0.001452 0.010289 -0.000258 33O 1dz2 0.000224 -0.001121 -0.000717 0.001497 -0.000064 0.000193 33O 1dxz -0.000165 0.000334 -0.000749 -0.000182 -0.000570 0.000371 33O 1dyz -0.000564 0.001057 -0.000586 -0.000935 0.000516 0.000155 33O 1dx2y2 0.000160 0.000419 0.001008 0.000128 -0.000061 -0.000124 33O 1dxy 0.000765 -0.001487 0.000179 0.000926 -0.000649 -0.000124 33O 2dz2 0.000880 -0.001904 0.000494 0.006289 -0.000329 -0.000353 33O 2dxz -0.000660 0.002137 -0.002294 -0.000280 -0.003562 0.001058 33O 2dyz -0.000360 0.001990 0.001019 -0.003793 0.002230 0.000265 33O 2dx2y2 -0.000313 0.002392 0.001564 0.002074 0.000866 -0.000034 33O 2dxy 0.002421 -0.004169 -0.000517 0.002991 -0.002286 -0.000452 33O 1f0 0.000396 -0.001104 -0.000875 -0.000391 -0.000276 0.000379 33O 1f+1 -0.000427 0.000793 0.000773 -0.000927 -0.000120 -0.000399 33O 1f-1 -0.000286 0.000175 -0.000830 -0.000353 -0.000356 0.000058 33O 1f+2 0.000318 -0.000347 0.000652 -0.000236 0.000804 -0.000256 33O 1f-2 0.000445 -0.001043 0.000930 0.000429 -0.000228 -0.000084 33O 1f+3 0.000111 -0.000117 0.000696 0.000089 0.000176 0.000038 33O 1f-3 0.000276 -0.000662 0.000064 0.000658 -0.000484 0.000098 34O 1s 0.000393 0.000113 0.001019 0.000158 0.000632 0.003183 34O 2s 0.000878 0.000278 0.002481 0.000374 0.001527 0.007709 34O 3s -0.000894 -0.000458 -0.004025 -0.000636 -0.002850 -0.011619 34O 4s -0.007800 -0.000760 -0.006333 -0.000590 -0.001791 -0.024698 34O 5s 0.057651 -0.000841 0.003011 0.007673 0.018983 0.019282 34O 1pz -0.115142 -0.140170 -0.012848 0.025831 0.000955 -0.064406 34O 1px 0.083746 -0.031153 0.001895 0.009120 0.017072 0.011839 34O 1py 0.163621 -0.097896 0.026136 0.008938 -0.021710 0.083496 34O 2pz -0.099330 -0.118588 -0.012072 0.023914 0.000756 -0.054450 34O 2px 0.073042 -0.026662 0.001171 0.009384 0.018293 0.009038 34O 2py 0.140017 -0.082994 0.021404 0.008065 -0.020365 0.071608 34O 3pz -0.077880 -0.087298 -0.003316 0.003400 -0.000199 -0.056263 34O 3px 0.057733 -0.020509 0.001256 0.007889 0.025210 -0.009832 34O 3py 0.110666 -0.060136 0.026031 -0.002153 -0.013552 0.075455 34O 1dz2 -0.000030 0.000182 0.000029 0.000379 -0.000471 -0.000476 34O 1dxz -0.001295 -0.001652 -0.000309 0.001537 -0.000104 -0.000647 34O 1dyz -0.000081 0.000327 0.000089 -0.000569 0.000258 0.000544 34O 1dx2y2 0.001147 -0.000679 0.000287 0.000885 0.000052 0.001442 34O 1dxy 0.001651 -0.001067 0.000005 0.000612 -0.000891 0.000340 34O 2dz2 -0.001664 0.002230 -0.000093 0.002730 -0.002651 -0.001812 34O 2dxz -0.002265 -0.003907 -0.000831 0.005451 -0.001135 0.000423 34O 2dyz -0.005517 0.000402 -0.000037 -0.002726 0.000692 0.000012 34O 2dx2y2 -0.000196 -0.000747 0.000294 0.004534 0.001369 0.002543 34O 2dxy 0.002006 -0.003132 -0.001004 0.001812 -0.003289 -0.001884 34O 1f0 0.000511 0.000808 -0.000016 -0.000564 0.000383 0.000525 34O 1f+1 -0.000451 -0.000191 0.000124 -0.000488 -0.000274 -0.000130 34O 1f-1 0.000079 0.000538 0.000018 0.000652 -0.000101 -0.000433 34O 1f+2 0.000398 -0.000826 -0.000089 0.000533 -0.000006 -0.000702 34O 1f-2 0.000715 0.000746 0.000115 0.000069 0.000458 0.000840 34O 1f+3 -0.001108 0.000845 -0.000454 -0.000384 -0.000627 -0.001098 34O 1f-3 0.000066 0.000487 -0.000302 -0.000623 0.000564 -0.000899 35O 1s -0.000234 0.000085 0.003946 0.000321 0.001200 -0.000650 35O 2s -0.000549 0.000190 0.009556 0.000773 0.002910 -0.001550 35O 3s 0.000714 -0.000099 -0.014673 -0.001268 -0.005092 0.001927 35O 4s 0.002806 -0.001485 -0.028192 -0.001523 -0.003971 0.007409 35O 5s -0.012723 0.003611 0.011909 -0.001983 -0.006249 -0.011372 35O 1pz -0.004033 0.087986 -0.102124 0.017937 0.005309 0.020367 35O 1px -0.042960 0.052954 0.022327 0.017061 0.020679 -0.003133 35O 1py 0.073978 -0.140527 -0.055526 -0.020195 0.018425 0.007403 35O 2pz -0.002672 0.074664 -0.086191 0.016439 0.004607 0.016072 35O 2px -0.036306 0.044828 0.017539 0.015132 0.017745 -0.003146 35O 2py 0.062077 -0.118711 -0.047241 -0.018796 0.016903 0.008053 35O 3pz -0.000995 0.053464 -0.084555 0.006691 0.015224 0.026860 35O 3px -0.029594 0.033627 0.007180 0.008898 0.026062 0.003906 35O 3py 0.046703 -0.087890 -0.051368 0.000335 0.015596 -0.000487 35O 1dz2 0.000007 0.000026 -0.000728 0.000582 -0.000548 0.000324 35O 1dxz -0.000091 0.001058 -0.000582 0.001159 0.000290 -0.000007 35O 1dyz 0.000081 0.000269 -0.000637 -0.000073 0.000225 0.000062 35O 1dx2y2 -0.000794 0.001298 0.000954 0.001420 -0.000139 -0.000296 35O 1dxy 0.000591 -0.001361 0.000331 -0.000703 0.000893 0.000059 35O 2dz2 -0.000089 -0.001170 -0.000800 0.003436 -0.002902 0.000350 35O 2dxz -0.000103 0.002166 0.000708 0.004366 0.000838 -0.000847 35O 2dyz -0.001236 0.001657 0.000894 -0.001079 0.001230 -0.000591 35O 2dx2y2 -0.001663 0.002335 0.001040 0.005823 -0.000254 -0.000766 35O 2dxy 0.001507 -0.003832 0.002151 -0.001893 0.003306 0.000200 35O 1f0 0.000066 -0.000067 0.000710 -0.000947 0.000203 -0.000354 35O 1f+1 -0.000066 0.000403 -0.000897 -0.000410 -0.000532 0.000370 35O 1f-1 -0.000133 0.000567 -0.000081 0.000029 -0.000468 0.000131 35O 1f+2 -0.000425 0.000849 -0.000249 -0.000043 0.000412 0.000113 35O 1f-2 0.000010 0.000234 -0.001340 -0.000042 -0.000236 0.000190 35O 1f+3 0.000625 -0.001158 -0.000838 -0.000795 -0.000021 -0.000028 35O 1f-3 -0.000030 0.000197 0.000049 0.000385 -0.000641 -0.000030 114 115 116 117 118 119 -0.19956 -0.19302 -0.14512 -0.07235 -0.06644 -0.05865 1.00000 1.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s 0.000010 -0.000043 0.000185 -0.000175 0.000194 -0.000095 0Rh 2s -0.000016 0.000115 -0.000644 0.000562 -0.000483 0.000309 0Rh 3s 0.000050 -0.000177 0.000675 -0.000672 0.000829 -0.000361 0Rh 4s 0.000088 -0.000476 0.002729 -0.002456 0.001965 -0.001387 0Rh 5s 0.000159 0.000074 -0.001621 0.001619 0.002865 0.001502 0Rh 6s -0.001271 0.001813 -0.006124 0.005941 -0.021230 0.001271 0Rh 7s 0.001889 -0.003046 0.008308 -0.010355 0.023801 -0.005449 0Rh 8s -0.004455 -0.001728 0.004783 0.005154 -0.010534 0.002401 0Rh 1pz 0.000026 -0.004828 -0.002005 -0.000116 0.001878 0.000071 0Rh 1px -0.000112 -0.001845 -0.000346 0.000875 -0.005749 0.000215 0Rh 1py -0.000001 -0.002022 0.004870 0.000214 -0.001160 0.000050 0Rh 2pz -0.000089 0.016442 0.006827 0.000400 -0.006399 -0.000242 0Rh 2px 0.000388 0.006270 0.001202 -0.002983 0.019602 -0.000730 0Rh 2py 0.000000 0.006881 -0.016594 -0.000725 0.003969 -0.000166 0Rh 3pz 0.000076 -0.014051 -0.005865 -0.000420 0.005560 0.000256 0Rh 3px -0.000425 -0.005161 -0.001458 0.002589 -0.017312 0.000517 0Rh 3py 0.000052 -0.005807 0.014509 0.000570 -0.003776 0.000100 0Rh 4pz 0.000096 -0.020421 -0.008188 -0.000205 0.007404 0.000106 0Rh 4px -0.000194 -0.008272 -0.000067 0.003541 -0.021525 0.001343 0Rh 4py -0.000143 -0.008780 0.019133 0.000980 -0.003377 0.000287 0Rh 5pz 0.000193 -0.000804 -0.001096 -0.000575 0.001029 0.000269 0Rh 5px -0.000410 0.000268 -0.002107 0.000423 -0.005415 -0.000390 0Rh 5py 0.000068 0.000178 0.003287 0.000207 -0.003090 0.000154 0Rh 6pz -0.004020 0.082893 0.038911 0.005960 -0.005973 -0.000649 0Rh 6px 0.002385 0.021024 0.027320 -0.006091 0.034654 -0.002996 0Rh 6py 0.002682 0.024380 -0.090563 -0.004061 0.028092 -0.007020 0Rh 1dz2 -0.112178 0.081676 0.029896 0.049417 0.077092 0.057209 0Rh 1dxz -0.050587 -0.137474 -0.033519 -0.017002 0.087962 -0.005041 0Rh 1dyz 0.059820 -0.009024 -0.056230 0.142638 0.033415 0.142355 0Rh 1dx2y2 -0.086404 -0.022896 -0.076399 0.039828 -0.126128 0.020639 0Rh 1dxy -0.006372 -0.066131 0.141515 0.062588 -0.039210 0.054132 0Rh 2dz2 0.003790 -0.002796 -0.000987 -0.001759 -0.002837 -0.002033 0Rh 2dxz 0.001769 0.004801 0.001201 0.000605 -0.003278 0.000158 0Rh 2dyz -0.002021 0.000316 0.002007 -0.005160 -0.001216 -0.005130 0Rh 2dx2y2 0.002869 0.000797 0.002658 -0.001466 0.004580 -0.000775 0Rh 2dxy 0.000200 0.002327 -0.005007 -0.002267 0.001489 -0.001961 0Rh 3dz2 0.166384 -0.120940 -0.044220 -0.074105 -0.115326 -0.086096 0Rh 3dxz 0.074936 0.203632 0.049479 0.025579 -0.131878 0.007712 0Rh 3dyz -0.088719 0.013268 0.082992 -0.213589 -0.050101 -0.214029 0Rh 3dx2y2 0.128417 0.033818 0.112816 -0.059652 0.189110 -0.030990 0Rh 3dxy 0.009591 0.097920 -0.209142 -0.093782 0.058761 -0.081368 0Rh 4dz2 0.220269 -0.160067 -0.058187 -0.096789 -0.149587 -0.111248 0Rh 4dxz 0.099330 0.269147 0.065701 0.032803 -0.170327 0.009582 0Rh 4dyz -0.117613 0.017918 0.110008 -0.279223 -0.065297 -0.277318 0Rh 4dx2y2 0.169267 0.044995 0.149143 -0.077706 0.244320 -0.040413 0Rh 4dxy 0.012479 0.129681 -0.276642 -0.122490 0.076047 -0.105753 0Rh 5dz2 0.147372 -0.109623 -0.042130 -0.065174 -0.112876 -0.079109 0Rh 5dxz 0.066405 0.184698 0.045484 0.025195 -0.129933 0.007675 0Rh 5dyz -0.077658 0.011518 0.077563 -0.191418 -0.045292 -0.195670 0Rh 5dx2y2 0.114819 0.030470 0.106598 -0.055861 0.186890 -0.027957 0Rh 5dxy 0.008233 0.088324 -0.194728 -0.084470 0.058117 -0.073267 0Rh 1f0 -0.000660 -0.000922 -0.001170 0.000446 0.001757 0.000219 0Rh 1f+1 0.000473 -0.002285 -0.000770 -0.000788 -0.001634 -0.000413 0Rh 1f-1 0.000313 0.000617 -0.000064 0.001106 -0.000319 0.000340 0Rh 1f+2 0.000219 0.000887 -0.000047 0.001013 -0.001964 0.000382 0Rh 1f-2 -0.000530 0.000157 0.001379 -0.002046 -0.001265 -0.000854 0Rh 1f+3 -0.000763 -0.000357 -0.001129 0.000651 -0.002609 0.000182 0Rh 1f-3 -0.000350 -0.001274 0.002333 0.001443 -0.001799 0.000362 1Rh 1s -0.000011 -0.000046 0.000186 0.000174 -0.000192 -0.000094 1Rh 2s 0.000018 0.000127 -0.000645 -0.000556 0.000478 0.000305 1Rh 3s -0.000052 -0.000188 0.000676 0.000667 -0.000824 -0.000358 1Rh 4s -0.000096 -0.000531 0.002732 0.002431 -0.001945 -0.001369 1Rh 5s -0.000154 0.000116 -0.001624 -0.001600 -0.002877 0.001493 1Rh 6s 0.001289 0.001903 -0.006130 -0.005897 0.021187 0.001221 1Rh 7s -0.001902 -0.003254 0.008263 0.010433 -0.023820 -0.005476 1Rh 8s 0.004418 -0.001822 0.004787 -0.005427 0.010768 0.002812 1Rh 1pz 0.000040 0.004829 0.002004 -0.000114 0.001881 -0.000083 1Rh 1px -0.000106 0.001836 0.000347 0.000875 -0.005748 -0.000208 1Rh 1py 0.000010 0.002018 -0.004869 0.000223 -0.001156 -0.000051 1Rh 2pz -0.000137 -0.016446 -0.006823 0.000394 -0.006408 0.000286 1Rh 2px 0.000366 -0.006238 -0.001205 -0.002984 0.019599 0.000707 1Rh 2py -0.000038 -0.006869 0.016593 -0.000756 0.003957 0.000171 1Rh 3pz 0.000117 0.014052 0.005861 -0.000416 0.005572 -0.000290 1Rh 3px -0.000408 0.005136 0.001462 0.002589 -0.017308 -0.000497 1Rh 3py 0.000088 0.005794 -0.014509 0.000593 -0.003767 -0.000103 1Rh 4pz 0.000157 0.020431 0.008183 -0.000191 0.007399 -0.000170 1Rh 4px -0.000163 0.008226 0.000063 0.003542 -0.021529 -0.001317 1Rh 4py -0.000106 0.008775 -0.019129 0.001033 -0.003356 -0.000301 1Rh 5pz 0.000185 0.000797 0.001081 -0.000593 0.001072 -0.000259 1Rh 5px -0.000414 -0.000252 0.002117 0.000429 -0.005398 0.000391 1Rh 5py 0.000089 -0.000179 -0.003284 0.000182 -0.003099 -0.000133 1Rh 6pz -0.003994 -0.082889 -0.038614 0.006116 -0.006948 0.000764 1Rh 6px 0.002396 -0.021392 -0.027436 -0.006133 0.034343 0.003025 1Rh 6py 0.002496 -0.024677 0.090414 -0.003950 0.028140 0.006907 1Rh 1dz2 0.112189 0.081427 0.030021 -0.049364 -0.077032 0.057271 1Rh 1dxz 0.050357 -0.137467 -0.033600 0.016999 -0.087901 -0.004939 1Rh 1dyz -0.059708 -0.008985 -0.056311 -0.142669 -0.033239 0.142418 1Rh 1dx2y2 0.086346 -0.022998 -0.076447 -0.039792 0.126144 0.020441 1Rh 1dxy 0.006239 -0.065860 0.141609 -0.062575 0.039328 0.054083 1Rh 2dz2 -0.003792 -0.002788 -0.000992 0.001758 0.002835 -0.002036 1Rh 2dxz -0.001761 0.004801 0.001204 -0.000605 0.003277 0.000154 1Rh 2dyz 0.002018 0.000315 0.002010 0.005162 0.001210 -0.005132 1Rh 2dx2y2 -0.002867 0.000800 0.002659 0.001464 -0.004581 -0.000767 1Rh 2dxy -0.000195 0.002318 -0.005010 0.002267 -0.001493 -0.001961 1Rh 3dz2 -0.166398 -0.120569 -0.044404 0.074026 0.115240 -0.086188 1Rh 3dxz -0.074598 0.203623 0.049599 -0.025574 0.131785 0.007558 1Rh 3dyz 0.088553 0.013209 0.083110 0.213637 0.049837 -0.214126 1Rh 3dx2y2 -0.128330 0.033970 0.112887 0.059601 -0.189138 -0.030697 1Rh 3dxy -0.009395 0.097519 -0.209283 0.093760 -0.058939 -0.081291 1Rh 4dz2 -0.220296 -0.159580 -0.058429 0.096689 0.149466 -0.111370 1Rh 4dxz -0.098874 0.269132 0.065855 -0.032797 0.170218 0.009384 1Rh 4dyz 0.117396 0.017836 0.110164 0.279277 0.064962 -0.277435 1Rh 4dx2y2 -0.169153 0.045187 0.149232 0.077626 -0.244349 -0.040021 1Rh 4dxy -0.012212 0.129155 -0.276817 0.122474 -0.076275 -0.105665 1Rh 5dz2 -0.147366 -0.109283 -0.042301 0.065088 0.112811 -0.079180 1Rh 5dxz -0.066108 0.184688 0.045606 -0.025182 0.129787 0.007523 1Rh 5dyz 0.077500 0.011476 0.077679 0.191461 0.045017 -0.195750 1Rh 5dx2y2 -0.114734 0.030621 0.106671 0.055840 -0.186913 -0.027703 1Rh 5dxy -0.008073 0.087931 -0.194879 0.084430 -0.058284 -0.073161 1Rh 1f0 -0.000654 0.000931 0.001168 0.000448 0.001761 -0.000210 1Rh 1f+1 0.000477 0.002286 0.000764 -0.000786 -0.001631 0.000419 1Rh 1f-1 0.000307 -0.000609 0.000062 0.001106 -0.000323 -0.000338 1Rh 1f+2 0.000226 -0.000897 0.000053 0.001019 -0.001959 -0.000374 1Rh 1f-2 -0.000531 -0.000152 -0.001370 -0.002046 -0.001260 0.000858 1Rh 1f+3 -0.000765 0.000347 0.001120 0.000652 -0.002612 -0.000181 1Rh 1f-3 -0.000348 0.001286 -0.002328 0.001441 -0.001800 -0.000361 2C 1s -0.000027 0.000096 -0.000126 -0.000188 -0.000176 -0.008481 2C 2s -0.000059 0.000256 -0.000296 -0.000426 -0.000400 -0.018968 2C 3s 0.000208 -0.000910 0.001019 0.000746 0.000632 0.037442 2C 4s -0.000443 0.002729 -0.002634 0.000411 0.000270 0.032456 2C 5s -0.007495 -0.032530 0.017973 0.017726 0.025990 0.077392 2C 1pz 0.001827 0.002219 0.000333 -0.002725 -0.002026 0.039922 2C 1px 0.000347 -0.006996 0.001405 0.009146 0.006967 0.012363 2C 1py -0.002666 -0.001409 0.000909 0.001839 0.001755 0.025375 2C 2pz -0.001555 0.003253 -0.001085 -0.002207 -0.001552 0.035084 2C 2px 0.000915 -0.008446 0.001418 0.007037 0.007096 0.010408 2C 2py 0.001475 -0.001314 0.000860 0.001569 0.001161 0.021959 2C 3pz 0.016182 -0.000403 0.002371 0.001875 0.004180 0.009620 2C 3px -0.008327 -0.009445 0.002972 -0.003754 -0.002479 0.032811 2C 3py -0.025381 -0.003859 0.002681 -0.000050 0.005368 0.005707 2C 1dz2 -0.000032 -0.000088 0.000020 0.001119 0.000867 0.000340 2C 1dxz 0.000110 0.000271 -0.000047 -0.002613 -0.002053 0.000472 2C 1dyz 0.000150 -0.000179 0.000006 0.000843 0.000630 0.000158 2C 1dx2y2 0.000284 -0.000247 0.000012 0.000977 0.000735 -0.000676 2C 1dxy -0.000374 0.000168 0.000018 -0.001700 -0.001310 -0.000085 2C 2dz2 0.000144 0.001247 -0.000396 0.003770 0.002695 -0.000556 2C 2dxz 0.000445 -0.001862 0.000503 -0.007511 -0.005800 0.000751 2C 2dyz 0.000566 0.000865 -0.000529 0.001151 0.001305 -0.000659 2C 2dx2y2 0.001278 0.000004 0.000139 0.001428 0.001587 -0.002161 2C 2dxy -0.002299 -0.001149 -0.000021 -0.005467 -0.003732 -0.000875 2C 1f0 0.000050 0.000129 0.000008 0.000893 0.000686 -0.000036 2C 1f+1 0.000007 -0.000022 -0.000047 -0.000679 -0.000456 0.000341 2C 1f-1 0.000032 -0.000042 -0.000045 0.000295 0.000205 0.000110 2C 1f+2 0.000046 -0.000148 0.000056 -0.000332 -0.000271 -0.000021 2C 1f-2 -0.000083 -0.000115 0.000024 -0.001110 -0.000820 -0.000321 2C 1f+3 -0.000026 -0.000030 0.000046 -0.000345 -0.000268 0.000361 2C 1f-3 -0.000034 0.000033 -0.000020 0.000433 0.000356 0.000363 3C 1s 0.000076 0.000064 0.000023 0.000121 -0.000020 0.008454 3C 2s 0.000161 0.000156 0.000080 0.000292 -0.000048 0.018895 3C 3s -0.000032 -0.000543 -0.000100 -0.001039 0.000333 -0.037174 3C 4s -0.002246 0.001543 0.000153 0.002435 -0.001046 -0.032762 3C 5s -0.003647 -0.008415 -0.022089 -0.014584 -0.003375 -0.075455 3C 1pz 0.001240 0.000242 0.001808 0.003219 -0.001453 -0.019454 3C 1px 0.002655 -0.002017 -0.005050 -0.010933 0.004304 -0.017014 3C 1py 0.002259 0.000047 -0.001365 -0.002042 0.000830 0.041142 3C 2pz -0.001416 0.000627 0.001906 0.003010 -0.001671 -0.017659 3C 2px -0.001539 -0.002492 -0.007239 -0.008194 0.004226 -0.014513 3C 2py 0.000058 -0.001019 -0.001450 -0.002361 0.001731 0.035251 3C 3pz 0.008579 -0.000730 0.001747 -0.003259 -0.002022 0.016952 3C 3px 0.025855 -0.003178 -0.009348 0.004020 -0.003002 -0.024340 3C 3py 0.016119 0.000430 0.000750 0.000510 0.001333 0.021512 3C 1dz2 -0.000141 0.000015 -0.000002 -0.000867 0.000368 -0.000218 3C 1dxz 0.000333 0.000046 0.000213 0.002737 -0.001137 -0.000505 3C 1dyz -0.000002 0.000062 0.000111 0.001855 -0.000773 -0.000094 3C 1dx2y2 0.000068 -0.000009 0.000008 0.001118 -0.000470 0.000672 3C 1dxy 0.000259 -0.000042 0.000013 -0.002074 0.000862 0.000333 3C 2dz2 -0.001137 0.000026 0.000681 -0.002905 0.001032 -0.001703 3C 2dxz 0.001786 -0.000176 -0.001713 0.006170 -0.003008 -0.000774 3C 2dyz -0.000145 -0.000634 -0.001527 0.004291 -0.001310 -0.000814 3C 2dx2y2 0.000980 -0.000312 -0.001060 0.003915 -0.001425 0.000889 3C 2dxy 0.001014 0.000327 0.001982 -0.007436 0.002525 0.000111 3C 1f0 -0.000017 0.000040 0.000086 -0.000000 -0.000033 0.000172 3C 1f+1 0.000069 -0.000010 0.000056 -0.000421 0.000161 -0.000151 3C 1f-1 -0.000013 -0.000048 -0.000069 0.000515 -0.000146 0.000275 3C 1f+2 0.000022 -0.000042 -0.000019 0.000701 -0.000228 -0.000359 3C 1f-2 -0.000021 -0.000004 -0.000001 -0.000776 0.000308 -0.000024 3C 1f+3 -0.000050 0.000005 -0.000207 0.000902 -0.000371 -0.000291 3C 1f-3 0.000009 -0.000061 -0.000277 0.001238 -0.000497 0.000427 4C 1s -0.000099 -0.000090 0.000232 -0.000002 -0.000068 0.004429 4C 2s -0.000198 -0.000211 0.000536 -0.000004 -0.000182 0.009880 4C 3s 0.000444 0.001361 -0.001490 0.000031 0.002563 -0.015528 4C 4s -0.000883 -0.005485 -0.000324 0.001210 -0.011634 -0.048824 4C 5s -0.002588 0.014214 -0.013398 -0.005337 -0.010753 -0.071892 4C 1pz 0.000793 0.011812 -0.003320 0.012784 0.009006 -0.011651 4C 1px -0.000668 -0.036561 0.007712 -0.040097 -0.027119 -0.002774 4C 1py -0.000594 -0.005911 0.000938 -0.007555 -0.004834 -0.003882 4C 2pz 0.000513 0.009549 -0.004003 0.019081 0.005960 -0.015187 4C 2px -0.000959 -0.031158 0.006635 -0.059143 -0.030668 -0.003641 4C 2py -0.001370 -0.005252 0.000159 -0.011406 -0.007169 -0.005779 4C 3pz -0.013555 -0.022689 0.006948 0.022564 0.024380 -0.073658 4C 3px 0.005275 0.040364 -0.008190 -0.056730 -0.041159 -0.032815 4C 3py 0.003237 0.001998 0.001464 -0.007749 -0.001692 -0.052422 4C 1dz2 -0.002110 0.002324 -0.000157 -0.002557 -0.002123 0.005672 4C 1dxz 0.002885 -0.003952 0.000543 0.004400 0.003891 0.004459 4C 1dyz 0.002521 0.000008 -0.000187 -0.000075 -0.000115 0.005812 4C 1dx2y2 0.003059 -0.000385 -0.000311 0.000353 0.000030 -0.006320 4C 1dxy -0.005102 -0.002808 0.001005 0.003500 0.003073 -0.000847 4C 2dz2 -0.004267 0.005052 -0.000170 -0.001140 -0.002778 0.011311 4C 2dxz 0.007230 -0.008269 0.001538 0.002443 0.006123 0.012002 4C 2dyz 0.005862 -0.000086 0.000537 0.000128 -0.000709 0.008067 4C 2dx2y2 0.006843 -0.001373 -0.000694 0.000171 -0.000837 -0.016341 4C 2dxy -0.012748 -0.006713 0.001540 0.002086 0.004539 -0.004011 4C 1f0 -0.000993 0.001236 -0.000234 -0.001573 -0.001091 0.000073 4C 1f+1 0.001044 -0.001192 0.000232 0.001539 0.001322 0.000446 4C 1f-1 0.000609 0.000719 -0.000170 -0.000313 -0.000357 -0.000206 4C 1f+2 0.000540 -0.000423 0.000077 0.001338 0.000605 -0.000119 4C 1f-2 -0.000634 -0.001888 0.000374 0.001620 0.001466 0.000082 4C 1f+3 -0.001177 -0.000778 0.000175 0.001871 0.001212 -0.000065 4C 1f-3 -0.000289 0.000420 -0.000049 0.000706 0.000453 0.000261 5C 1s 0.000171 -0.000126 0.000176 -0.000076 0.000179 -0.004259 5C 2s 0.000398 -0.000285 0.000419 -0.000189 0.000432 -0.009500 5C 3s -0.000779 0.000339 -0.002097 0.000938 -0.002605 0.014311 5C 4s -0.001813 0.002480 0.004395 -0.003208 0.009313 0.051265 5C 5s -0.005690 0.008184 0.010303 0.006907 0.000144 0.068153 5C 1pz 0.000047 0.002918 0.011623 -0.014096 0.004210 0.004029 5C 1px -0.000345 -0.008952 -0.035620 0.045303 -0.015469 0.003382 5C 1py 0.000255 -0.002336 -0.005727 0.008506 -0.002513 -0.010436 5C 2pz -0.000017 0.003367 0.011778 -0.020570 0.005371 0.006494 5C 2px 0.000186 -0.007852 -0.033683 0.064759 -0.013348 0.004725 5C 2py 0.001028 -0.003408 -0.006528 0.011683 -0.004167 -0.014374 5C 3pz -0.005708 -0.003993 -0.018354 -0.019595 0.006771 0.034601 5C 3px -0.013586 0.011635 0.042121 0.064647 -0.026444 0.040711 5C 3py 0.001494 0.003097 0.015270 0.014508 0.000142 -0.076807 5C 1dz2 -0.003325 0.000649 0.001101 0.002003 -0.000944 -0.001550 5C 1dxz 0.005209 -0.001090 -0.001592 -0.002755 0.001114 -0.004867 5C 1dyz -0.000094 -0.000406 -0.001465 -0.002342 0.001083 0.004089 5C 1dx2y2 0.000493 -0.000514 -0.001819 -0.003237 0.001708 0.007947 5C 1dxy 0.004115 0.000529 0.003206 0.005234 -0.002520 0.004521 5C 2dz2 -0.007383 0.001083 0.002195 0.001690 -0.002079 -0.006056 5C 2dxz 0.013353 -0.002273 -0.004203 -0.002160 0.001734 -0.012208 5C 2dyz -0.000327 -0.000932 -0.004379 -0.001254 0.001437 0.003614 5C 2dx2y2 0.000486 -0.000948 -0.004756 -0.002363 0.002864 0.019183 5C 2dxy 0.009096 0.002519 0.008411 0.004219 -0.004980 0.009564 5C 1f0 -0.000972 -0.000017 -0.000069 0.001077 -0.000281 -0.000302 5C 1f+1 0.001034 -0.000011 0.000181 -0.000713 0.000078 -0.000290 5C 1f-1 0.000648 -0.000241 -0.000762 -0.000822 0.000400 -0.000127 5C 1f+2 0.000548 -0.000316 -0.001029 -0.002404 0.000903 -0.000168 5C 1f-2 -0.000810 0.000405 0.001248 0.000501 -0.000334 0.000229 5C 1f+3 -0.001131 -0.000239 -0.000996 -0.002355 0.000801 -0.000274 5C 1f-3 -0.000226 -0.000280 -0.001156 -0.002039 0.001001 0.000273 6C 1s -0.000169 -0.000117 0.000182 0.000078 -0.000188 -0.004260 6C 2s -0.000394 -0.000266 0.000432 0.000193 -0.000453 -0.009502 6C 3s 0.000770 0.000300 -0.002154 -0.000932 0.002648 0.014321 6C 4s 0.001814 0.002432 0.004513 0.003166 -0.009316 0.051258 6C 5s 0.005544 0.008085 0.010664 -0.007117 0.000084 0.068848 6C 1pz 0.000007 -0.002918 -0.011660 -0.014145 0.004214 -0.004066 6C 1px -0.000380 0.008949 0.035612 0.045289 -0.015477 -0.003380 6C 1py 0.000208 0.002320 0.005697 0.008472 -0.002478 0.010425 6C 2pz -0.000071 -0.003391 -0.011854 -0.020616 0.005353 -0.006559 6C 2px 0.000182 0.007868 0.033690 0.064784 -0.013308 -0.004699 6C 2py 0.000987 0.003394 0.006557 0.011624 -0.004125 0.014412 6C 3pz -0.005905 0.003946 0.018436 -0.019789 0.006988 -0.034768 6C 3px -0.013502 -0.011645 -0.042091 0.064500 -0.026659 -0.041123 6C 3py 0.001558 -0.003026 -0.015433 0.014750 -0.000071 0.076799 6C 1dz2 0.003335 0.000647 0.001101 -0.002005 0.000945 -0.001546 6C 1dxz -0.005211 -0.001089 -0.001599 0.002753 -0.001121 -0.004866 6C 1dyz 0.000091 -0.000405 -0.001462 0.002341 -0.001076 0.004092 6C 1dx2y2 -0.000495 -0.000509 -0.001810 0.003234 -0.001698 0.007954 6C 1dxy -0.004115 0.000540 0.003211 -0.005236 0.002525 0.004514 6C 2dz2 0.007394 0.001072 0.002192 -0.001680 0.002088 -0.006066 6C 2dxz -0.013377 -0.002263 -0.004225 0.002150 -0.001742 -0.012259 6C 2dyz 0.000329 -0.000933 -0.004393 0.001237 -0.001444 0.003592 6C 2dx2y2 -0.000502 -0.000939 -0.004733 0.002339 -0.002867 0.019204 6C 2dxy -0.009096 0.002541 0.008428 -0.004226 0.005043 0.009592 6C 1f0 -0.000973 0.000018 0.000071 0.001075 -0.000278 0.000304 6C 1f+1 0.001036 0.000008 -0.000180 -0.000713 0.000075 0.000291 6C 1f-1 0.000647 0.000241 0.000763 -0.000821 0.000401 0.000126 6C 1f+2 0.000547 0.000318 0.001029 -0.002406 0.000903 0.000168 6C 1f-2 -0.000812 -0.000402 -0.001249 0.000500 -0.000335 -0.000233 6C 1f+3 -0.001134 0.000241 0.000997 -0.002360 0.000801 0.000273 6C 1f-3 -0.000225 0.000282 0.001155 -0.002036 0.001003 -0.000273 7C 1s 0.000096 -0.000099 0.000232 0.000002 0.000076 0.004426 7C 2s 0.000191 -0.000231 0.000535 0.000005 0.000200 0.009874 7C 3s -0.000430 0.001422 -0.001509 -0.000036 -0.002597 -0.015504 7C 4s 0.000887 -0.005585 -0.000204 -0.001209 0.011561 -0.048874 7C 5s 0.002796 0.014792 -0.013475 0.005702 0.010796 -0.071596 7C 1pz 0.000731 -0.011794 0.003309 0.012746 0.009001 0.011317 7C 1px -0.000621 0.036603 -0.007725 -0.040107 -0.027136 0.002592 7C 1py -0.000541 0.005883 -0.000929 -0.007512 -0.004792 0.004446 7C 2pz 0.000455 -0.009519 0.003973 0.019053 0.005939 0.014874 7C 2px -0.000933 0.031197 -0.006615 -0.059185 -0.030613 0.003470 7C 2py -0.001319 0.005222 -0.000162 -0.011365 -0.007126 0.006352 7C 3pz -0.013362 0.023085 -0.007006 0.022613 0.024505 0.072939 7C 3px 0.004666 -0.040326 0.008223 -0.056648 -0.041345 0.033114 7C 3py 0.003278 -0.001761 -0.001484 -0.007602 -0.001614 0.053433 7C 1dz2 0.002122 0.002327 -0.000158 0.002554 0.002129 0.005650 7C 1dxz -0.002901 -0.003942 0.000540 -0.004403 -0.003885 0.004449 7C 1dyz -0.002524 0.000022 -0.000190 0.000072 0.000121 0.005822 7C 1dx2y2 -0.003057 -0.000387 -0.000310 -0.000352 -0.000038 -0.006342 7C 1dxy 0.005103 -0.002828 0.001010 -0.003501 -0.003075 -0.000846 7C 2dz2 0.004281 0.005036 -0.000167 0.001136 0.002796 0.011272 7C 2dxz -0.007290 -0.008249 0.001522 -0.002439 -0.006166 0.012005 7C 2dyz -0.005867 -0.000069 0.000541 -0.000133 0.000716 0.008094 7C 2dx2y2 -0.006846 -0.001369 -0.000699 -0.000174 0.000827 -0.016390 7C 2dxy 0.012743 -0.006777 0.001554 -0.002067 -0.004580 -0.003992 7C 1f0 -0.000999 -0.001230 0.000234 -0.001572 -0.001087 -0.000069 7C 1f+1 0.001054 0.001189 -0.000229 0.001543 0.001322 -0.000448 7C 1f-1 0.000606 -0.000723 0.000171 -0.000312 -0.000358 0.000208 7C 1f+2 0.000541 0.000421 -0.000078 0.001339 0.000602 0.000119 7C 1f-2 -0.000624 0.001893 -0.000375 0.001619 0.001468 -0.000087 7C 1f+3 -0.001177 0.000785 -0.000177 0.001873 0.001211 0.000061 7C 1f-3 -0.000294 -0.000418 0.000049 0.000708 0.000453 -0.000260 8C 1s -0.000076 0.000069 0.000030 -0.000124 0.000035 0.008457 8C 2s -0.000162 0.000166 0.000097 -0.000300 0.000081 0.018901 8C 3s 0.000039 -0.000563 -0.000138 0.001055 -0.000402 -0.037201 8C 4s 0.002217 0.001526 0.000183 -0.002464 0.001036 -0.032666 8C 5s 0.003928 -0.008400 -0.022892 0.015264 0.002607 -0.075835 8C 1pz 0.001316 -0.000232 -0.001792 0.003221 -0.001426 0.019494 8C 1px 0.002626 0.002031 0.005066 -0.010933 0.004331 0.017099 8C 1py 0.002301 -0.000072 0.001335 -0.002024 0.000767 -0.041106 8C 2pz -0.001436 -0.000609 -0.001902 0.003030 -0.001651 0.017673 8C 2px -0.001503 0.002503 0.007244 -0.008182 0.004252 0.014570 8C 2py 0.000067 0.001010 0.001424 -0.002365 0.001676 -0.035225 8C 3pz 0.009031 0.000693 -0.001691 -0.003392 -0.002013 -0.016711 8C 3px 0.025479 0.003126 0.009405 0.004018 -0.002852 0.025100 8C 3py 0.016329 -0.000422 -0.000819 0.000624 0.001241 -0.021161 8C 1dz2 0.000139 0.000016 0.000001 0.000842 -0.000358 -0.000218 8C 1dxz -0.000331 0.000046 0.000212 -0.002727 0.001133 -0.000509 8C 1dyz 0.000002 0.000063 0.000113 -0.001872 0.000781 -0.000096 8C 1dx2y2 -0.000065 -0.000008 0.000008 -0.001099 0.000464 0.000672 8C 1dxy -0.000261 -0.000042 0.000013 0.002089 -0.000868 0.000335 8C 2dz2 0.001143 0.000021 0.000672 0.002872 -0.001007 -0.001687 8C 2dxz -0.001788 -0.000169 -0.001707 -0.006158 0.003000 -0.000776 8C 2dyz 0.000155 -0.000637 -0.001547 -0.004311 0.001319 -0.000823 8C 2dx2y2 -0.000982 -0.000311 -0.001059 -0.003874 0.001397 0.000876 8C 2dxy -0.001026 0.000328 0.001987 0.007471 -0.002531 0.000119 8C 1f0 -0.000017 -0.000040 -0.000088 -0.000007 -0.000030 -0.000174 8C 1f+1 0.000069 0.000010 -0.000058 -0.000423 0.000163 0.000159 8C 1f-1 -0.000014 0.000048 0.000072 0.000517 -0.000147 -0.000272 8C 1f+2 0.000022 0.000041 0.000017 0.000704 -0.000227 0.000358 8C 1f-2 -0.000021 0.000003 -0.000002 -0.000774 0.000308 0.000032 8C 1f+3 -0.000051 -0.000006 0.000204 0.000897 -0.000368 0.000295 8C 1f-3 0.000009 0.000061 0.000278 0.001240 -0.000498 -0.000422 9C 1s 0.000028 0.000089 -0.000124 0.000192 0.000169 -0.008481 9C 2s 0.000063 0.000242 -0.000293 0.000436 0.000385 -0.018969 9C 3s -0.000218 -0.000897 0.001019 -0.000769 -0.000602 0.037439 9C 4s 0.000465 0.002847 -0.002671 -0.000388 -0.000224 0.032473 9C 5s 0.007246 -0.033444 0.018098 -0.018351 -0.026144 0.077303 9C 1pz 0.001857 -0.002278 -0.000315 -0.002713 -0.002068 -0.039733 9C 1px 0.000475 0.006988 -0.001399 0.009153 0.006948 -0.012325 9C 1py -0.002703 0.001384 -0.000910 0.001830 0.001715 -0.025701 9C 2pz -0.001544 -0.003305 0.001107 -0.002186 -0.001611 -0.034932 9C 2px 0.000848 0.008433 -0.001388 0.007036 0.007106 -0.010379 9C 2py 0.001491 0.001248 -0.000847 0.001568 0.001133 -0.022198 9C 3pz 0.016195 0.000521 -0.002346 0.001986 0.004216 -0.008843 9C 3px -0.006980 0.009410 -0.002959 -0.003796 -0.002618 -0.033256 9C 3py -0.025519 0.004023 -0.002737 -0.000050 0.005337 -0.006619 9C 1dz2 0.000033 -0.000088 0.000021 -0.001121 -0.000868 0.000354 9C 1dxz -0.000111 0.000279 -0.000049 0.002641 0.002076 0.000483 9C 1dyz -0.000149 -0.000177 0.000005 -0.000842 -0.000629 0.000151 9C 1dx2y2 -0.000283 -0.000250 0.000013 -0.000976 -0.000735 -0.000670 9C 1dxy 0.000368 0.000157 0.000019 0.001657 0.001277 -0.000095 9C 2dz2 -0.000123 0.001252 -0.000399 -0.003761 -0.002686 -0.000498 9C 2dxz -0.000501 -0.001871 0.000516 0.007545 0.005830 0.000783 9C 2dyz -0.000569 0.000888 -0.000537 -0.001164 -0.001305 -0.000709 9C 2dx2y2 -0.001298 0.000011 0.000147 -0.001433 -0.001591 -0.002084 9C 2dxy 0.002283 -0.001146 -0.000023 0.005417 0.003668 -0.000897 9C 1f0 0.000050 -0.000129 -0.000009 0.000884 0.000678 0.000027 9C 1f+1 0.000008 0.000019 0.000048 -0.000667 -0.000446 -0.000338 9C 1f-1 0.000032 0.000039 0.000045 0.000300 0.000210 -0.000115 9C 1f+2 0.000048 0.000145 -0.000056 -0.000328 -0.000267 0.000003 9C 1f-2 -0.000081 0.000117 -0.000025 -0.001119 -0.000826 0.000311 9C 1f+3 -0.000024 0.000032 -0.000047 -0.000358 -0.000280 -0.000353 9C 1f-3 -0.000034 -0.000039 0.000021 0.000434 0.000355 -0.000377 10H 1s 0.000512 -0.003186 0.000352 0.012364 0.009593 -0.003541 10H 2s 0.000450 -0.007198 0.000993 0.021220 0.014510 -0.003234 10H 3s 0.011783 0.009532 -0.004434 0.035057 0.028949 -0.080363 10H 1pz 0.000130 0.000058 0.000002 -0.000781 -0.000820 0.002073 10H 1px 0.000267 0.000744 -0.000181 -0.000379 -0.000182 -0.001077 10H 1py -0.000178 0.000211 0.000039 -0.000576 -0.000562 0.000868 11H 1s -0.000369 0.001017 -0.000215 -0.004549 -0.003497 -0.002676 11H 2s -0.002274 0.004539 -0.001719 -0.009211 -0.006293 0.000791 11H 3s 0.019262 0.003610 -0.001706 -0.018376 -0.018192 -0.035635 11H 1pz -0.000056 0.000198 -0.000087 0.000120 0.000230 0.002178 11H 1px -0.000488 0.000170 -0.000054 0.000042 0.000160 0.001342 11H 1py 0.000384 -0.000231 0.000112 0.000239 0.000154 0.000853 12H 1s -0.000182 0.002124 -0.000320 -0.008179 -0.006302 -0.002348 12H 2s 0.002150 0.007149 -0.000753 -0.014871 -0.011558 0.000437 12H 3s -0.029718 0.002856 -0.001561 -0.030196 -0.021390 -0.044207 12H 1pz -0.000575 -0.000271 0.000111 0.000485 0.000502 0.001391 12H 1px 0.000414 0.000219 -0.000007 0.000056 0.000069 0.001304 12H 1py 0.000568 0.000389 0.000075 0.000267 0.000234 0.001710 13H 1s 0.000228 -0.000712 -0.001840 -0.014186 0.005819 0.003549 13H 2s 0.000557 -0.001502 -0.005829 -0.024641 0.009700 0.003642 13H 3s -0.015285 0.002183 0.009776 -0.041457 0.017797 0.078166 13H 1pz 0.000276 -0.000089 -0.000191 0.000399 -0.000253 -0.001426 13H 1px -0.000292 0.000139 0.000689 0.000653 -0.000263 0.000698 13H 1py 0.000245 -0.000068 -0.000160 -0.000909 0.000497 0.001857 14H 1s -0.000339 0.000545 0.001343 0.010832 -0.004482 0.002662 14H 2s -0.002765 0.001360 0.006261 0.019860 -0.006709 -0.000481 14H 3s 0.029762 0.000118 -0.000971 0.036276 -0.017003 0.052004 14H 1pz -0.000244 -0.000021 0.000112 -0.000384 0.000282 -0.000937 14H 1px -0.000683 0.000053 0.000496 -0.000076 0.000170 -0.002025 14H 1py -0.000546 0.000116 0.000243 0.000712 -0.000333 0.001442 15H 1s 0.000244 0.000271 0.000293 0.003617 -0.001499 0.002347 15H 2s 0.002179 0.001510 0.003046 0.006992 -0.003054 -0.001892 15H 3s -0.013916 0.001497 0.001020 0.016298 -0.003922 0.028001 15H 1pz -0.000475 -0.000080 -0.000200 -0.000087 0.000131 -0.000411 15H 1px 0.000263 -0.000052 0.000041 -0.000149 0.000045 -0.001153 15H 1py -0.000175 -0.000107 -0.000247 0.000144 -0.000049 0.002355 16H 1s 0.000245 0.010604 -0.001585 -0.001072 0.006925 -0.000063 16H 2s 0.002099 0.017966 -0.004637 -0.008565 0.007218 -0.003852 16H 3s 0.000946 0.016856 0.000931 -0.014484 0.050890 -0.007179 16H 1pz 0.000117 0.000201 -0.000974 -0.000067 -0.002736 -0.000179 16H 1px 0.000061 0.001118 0.000298 0.000136 0.003999 0.000464 16H 1py 0.000203 -0.000233 0.001531 0.000015 0.000440 0.000041 17H 1s 0.000263 -0.004857 -0.009804 -0.000901 0.007149 0.000038 17H 2s 0.003193 -0.007532 -0.018780 0.004004 0.008905 0.003336 17H 3s 0.001859 -0.009593 -0.013325 -0.000405 0.053322 0.005786 17H 1pz -0.000105 -0.000025 0.001314 0.000126 -0.000423 -0.000013 17H 1px -0.000216 -0.001286 -0.000302 -0.001322 0.004693 -0.000446 17H 1py 0.000241 -0.001267 0.000890 -0.000196 0.000172 -0.000072 18H 1s -0.000257 -0.005096 -0.009703 0.000907 -0.007109 0.000045 18H 2s -0.003329 -0.007857 -0.018597 -0.003741 -0.008814 0.003178 18H 3s -0.001894 -0.009850 -0.013093 0.000616 -0.053074 0.005634 18H 1pz -0.000117 -0.000028 -0.001308 0.000119 -0.000414 0.000017 18H 1px -0.000241 0.001291 0.000291 -0.001298 0.004691 0.000424 18H 1py 0.000245 0.001252 -0.000942 -0.000218 0.000201 0.000082 19H 1s -0.000230 0.010539 -0.001851 0.001084 -0.006915 -0.000062 19H 2s -0.001917 0.017871 -0.005090 0.008760 -0.007270 -0.003947 19H 3s -0.000888 0.016836 0.000554 0.014550 -0.050919 -0.007163 19H 1pz 0.000092 -0.000185 0.001013 -0.000075 -0.002719 0.000188 19H 1px 0.000077 -0.001115 -0.000245 0.000147 0.004008 -0.000473 19H 1py 0.000203 0.000173 -0.001506 -0.000004 0.000416 -0.000034 20H 1s -0.000261 0.000280 0.000304 -0.003739 0.001552 0.002343 20H 2s -0.002261 0.001546 0.003135 -0.007255 0.003144 -0.001896 20H 3s 0.014224 0.001491 0.001116 -0.016793 0.004235 0.028264 20H 1pz -0.000485 0.000083 0.000206 -0.000094 0.000134 0.000406 20H 1px 0.000267 0.000050 -0.000045 -0.000148 0.000047 0.001167 20H 1py -0.000178 0.000109 0.000250 0.000148 -0.000056 -0.002351 21H 1s 0.000355 0.000549 0.001340 -0.010747 0.004454 0.002646 21H 2s 0.002803 0.001362 0.006279 -0.019763 0.006676 -0.000526 21H 3s -0.029763 0.000210 -0.000795 -0.036077 0.017038 0.051519 21H 1pz -0.000247 0.000021 -0.000119 -0.000375 0.000281 0.000947 21H 1px -0.000683 -0.000051 -0.000494 -0.000072 0.000171 0.002022 21H 1py -0.000548 -0.000115 -0.000242 0.000705 -0.000331 -0.001444 22H 1s -0.000229 -0.000717 -0.001842 0.014217 -0.005828 0.003565 22H 2s -0.000538 -0.001512 -0.005810 0.024661 -0.009705 0.003715 22H 3s 0.014899 0.002199 0.009965 0.041523 -0.017608 0.078608 22H 1pz 0.000273 0.000089 0.000187 0.000405 -0.000252 0.001425 22H 1px -0.000285 -0.000141 -0.000693 0.000654 -0.000266 -0.000702 22H 1py 0.000245 0.000067 0.000160 -0.000912 0.000496 -0.001856 23H 1s 0.000161 0.002091 -0.000318 0.008042 0.006192 -0.002409 23H 2s -0.002213 0.007140 -0.000753 0.014658 0.011405 0.000389 23H 3s 0.029514 0.002928 -0.001562 0.029947 0.021141 -0.043751 23H 1pz -0.000574 0.000266 -0.000110 0.000473 0.000488 -0.001396 23H 1px 0.000409 -0.000212 0.000009 0.000058 0.000068 -0.001289 23H 1py 0.000573 -0.000397 -0.000076 0.000262 0.000227 -0.001729 24H 1s 0.000390 0.001049 -0.000220 0.004720 0.003627 -0.002606 24H 2s 0.002383 0.004670 -0.001763 0.009536 0.006541 0.000895 24H 3s -0.019826 0.003702 -0.001720 0.018998 0.018628 -0.035711 24H 1pz -0.000059 -0.000199 0.000089 0.000130 0.000235 -0.002152 24H 1px -0.000504 -0.000184 0.000060 0.000037 0.000157 -0.001357 24H 1py 0.000395 0.000232 -0.000112 0.000247 0.000161 -0.000872 25H 1s -0.000509 -0.003206 0.000358 -0.012391 -0.009620 -0.003553 25H 2s -0.000480 -0.007222 0.001023 -0.021258 -0.014543 -0.003329 25H 3s -0.010947 0.009585 -0.004462 -0.035059 -0.029142 -0.080791 25H 1pz 0.000131 -0.000057 -0.000004 -0.000781 -0.000825 -0.002064 25H 1px 0.000247 -0.000746 0.000185 -0.000381 -0.000181 0.001078 25H 1py -0.000181 -0.000219 -0.000038 -0.000582 -0.000566 -0.000870 26O 1s -0.000162 -0.002705 0.000439 -0.009303 -0.006771 -0.007623 26O 2s -0.000390 -0.006508 0.001051 -0.022680 -0.016510 -0.018552 26O 3s 0.000554 0.009825 -0.001511 0.038089 0.027827 0.031180 26O 4s 0.001376 0.017644 -0.003319 0.053144 0.038316 0.042951 26O 5s 0.001833 0.027645 -0.002165 0.119898 0.084181 0.125896 26O 1pz 0.049676 -0.054522 0.007015 0.072195 0.058744 0.088252 26O 1px 0.027151 0.055980 -0.011617 -0.006568 -0.010776 0.019939 26O 1py -0.074011 -0.009024 0.007911 0.042921 0.035207 0.059495 26O 2pz 0.041591 -0.048031 0.006259 0.061917 0.050808 0.074488 26O 2px 0.022579 0.042555 -0.008861 -0.011859 -0.012354 0.011917 26O 2py -0.062190 -0.010929 0.007065 0.034326 0.029602 0.048815 26O 3pz 0.034064 -0.027615 0.000436 0.061447 0.052308 0.087945 26O 3px 0.016112 0.032776 -0.010233 -0.026542 -0.015118 -0.007027 26O 3py -0.049786 0.000125 0.009153 0.030049 0.026226 0.048238 26O 1dz2 -0.000562 0.001031 -0.000126 -0.000241 -0.000366 -0.000146 26O 1dxz -0.000896 -0.000215 0.000177 -0.001381 -0.001119 -0.001446 26O 1dyz 0.000055 0.000152 -0.000064 -0.001611 -0.001264 -0.001540 26O 1dx2y2 -0.001112 -0.001005 0.000372 0.000238 0.000459 0.000247 26O 1dxy 0.000757 -0.001112 0.000067 -0.001229 -0.000825 -0.001295 26O 2dz2 -0.003156 0.002596 -0.001389 -0.002946 -0.002293 -0.002337 26O 2dxz -0.002971 -0.002221 0.001278 -0.004232 -0.003383 -0.003670 26O 2dyz 0.000954 0.000182 0.000700 -0.005473 -0.003982 -0.004991 26O 2dx2y2 -0.003779 -0.001700 0.001060 0.002715 0.003220 0.002293 26O 2dxy 0.002006 -0.003760 -0.000459 -0.002191 -0.000978 -0.002242 26O 1f0 -0.000731 0.000284 -0.000210 -0.000334 -0.000340 -0.000521 26O 1f+1 -0.000087 -0.000639 0.000185 0.000033 -0.000053 0.000036 26O 1f-1 0.000156 0.000113 -0.000014 -0.000870 -0.000594 -0.000932 26O 1f+2 -0.000065 -0.000076 0.000033 0.000595 0.000583 0.000795 26O 1f-2 -0.000019 -0.000604 0.000044 0.000089 0.000170 0.000260 26O 1f+3 -0.000549 -0.000360 -0.000014 0.000116 0.000168 0.000286 26O 1f-3 0.000372 -0.000181 -0.000014 -0.000171 -0.000295 -0.000289 27O 1s -0.000103 -0.000664 -0.002741 0.010662 -0.004023 0.007468 27O 2s -0.000273 -0.001616 -0.006632 0.025975 -0.009782 0.018160 27O 3s 0.000746 0.002688 0.010495 -0.043392 0.016220 -0.030224 27O 4s -0.001114 0.003498 0.016500 -0.061843 0.024700 -0.043155 27O 5s 0.010277 0.006448 0.029475 -0.129966 0.031934 -0.122224 27O 1pz 0.076239 -0.016652 -0.031818 -0.056880 0.023118 -0.051995 27O 1px 0.015187 0.010757 0.044796 -0.005549 -0.001900 -0.035560 27O 1py 0.051726 0.006516 0.036143 0.081269 -0.035304 0.087023 27O 2pz 0.063831 -0.014183 -0.027913 -0.049608 0.021022 -0.044749 27O 2px 0.012651 0.007673 0.032568 0.001959 -0.001322 -0.024718 27O 2py 0.043627 0.006603 0.033326 0.069256 -0.031468 0.072670 27O 3pz 0.051543 -0.012823 -0.012676 -0.051037 0.015814 -0.053373 27O 3px 0.008464 0.008741 0.030118 0.018402 0.000778 -0.005125 27O 3py 0.033908 -0.002723 0.013152 0.065254 -0.028389 0.083508 27O 1dz2 -0.000382 0.000209 0.000796 -0.000911 0.000272 -0.000848 27O 1dxz -0.001252 0.000246 0.000026 0.001148 -0.000537 0.001019 27O 1dyz 0.000479 -0.000133 -0.000284 -0.001118 0.000416 -0.000868 27O 1dx2y2 -0.000730 -0.000247 -0.001509 -0.000244 0.000403 -0.000036 27O 1dxy -0.000648 0.000243 0.000625 -0.002133 0.000897 -0.001887 27O 2dz2 -0.002352 -0.000194 0.002676 -0.001232 0.000368 -0.001016 27O 2dxz -0.003914 0.001065 -0.001405 0.004299 -0.001739 0.003309 27O 2dyz 0.002057 -0.000190 -0.001547 -0.004318 0.001176 -0.003518 27O 2dx2y2 -0.002990 -0.000923 -0.004339 -0.003999 0.001577 -0.002799 27O 2dxy -0.001996 0.001602 0.003431 -0.006404 0.002578 -0.004887 27O 1f0 -0.000521 -0.000030 0.000092 -0.000373 0.000049 -0.000239 27O 1f+1 -0.000205 0.000024 -0.000202 0.000057 -0.000168 0.000091 27O 1f-1 0.000465 0.000046 -0.000254 -0.000286 0.000104 -0.000309 27O 1f+2 0.000346 -0.000096 -0.000478 -0.000871 0.000297 -0.000951 27O 1f-2 -0.000093 0.000086 0.000456 -0.000385 0.000186 -0.000359 27O 1f+3 -0.000280 -0.000233 -0.000614 0.000211 -0.000192 0.000091 27O 1f-3 -0.000608 -0.000103 -0.000361 -0.000697 0.000443 -0.000835 28O 1s 0.000246 0.002908 -0.000680 0.009326 0.006776 -0.007686 28O 2s 0.000574 0.007009 -0.001637 0.022742 0.016521 -0.018672 28O 3s -0.000614 -0.010814 0.002472 -0.038289 -0.027980 0.030776 28O 4s -0.003234 -0.018628 0.004584 -0.052748 -0.039016 0.046993 28O 5s 0.008066 -0.021360 0.005945 -0.120333 -0.065462 0.110409 28O 1pz -0.048280 0.013130 0.002570 -0.059389 -0.043679 0.088523 28O 1px -0.030570 0.070591 -0.011463 -0.030544 -0.028075 0.015021 28O 1py 0.075132 0.031871 -0.011265 -0.049199 -0.041225 0.058142 28O 2pz -0.040978 0.015297 0.001319 -0.047252 -0.038231 0.071621 28O 2px -0.025728 0.056653 -0.009234 -0.031532 -0.025709 0.017119 28O 2py 0.063168 0.028482 -0.009474 -0.042136 -0.036105 0.049106 28O 3pz -0.031716 0.003880 0.003812 -0.037490 -0.032308 0.075417 28O 3px -0.018664 0.043648 -0.003369 -0.046542 -0.023848 0.039422 28O 3py 0.048402 0.014166 -0.012431 -0.040776 -0.033672 0.058340 28O 1dz2 0.001181 -0.000008 -0.000236 0.001515 0.001157 -0.001483 28O 1dxz -0.000014 -0.001564 0.000415 -0.000777 -0.000337 0.000862 28O 1dyz -0.000832 -0.000035 0.000116 0.001652 0.001293 -0.001613 28O 1dx2y2 0.000096 0.000908 -0.000205 -0.000326 -0.000563 0.000337 28O 1dxy 0.000875 -0.000346 -0.000032 -0.000468 -0.000423 0.000566 28O 2dz2 0.004678 0.001398 -0.000738 0.005239 0.004023 -0.004793 28O 2dxz 0.000296 -0.004752 0.002039 0.000333 0.000035 0.000095 28O 2dyz -0.002882 0.000414 0.000464 0.005850 0.004356 -0.005350 28O 2dx2y2 0.001181 0.002075 0.000575 -0.003052 -0.002480 0.002739 28O 2dxy 0.002321 -0.002199 -0.000645 -0.000843 -0.000951 0.001100 28O 1f0 0.000114 0.000496 -0.000167 -0.000135 -0.000020 0.000262 28O 1f+1 0.000697 -0.000194 0.000123 0.000493 0.000556 -0.000789 28O 1f-1 0.000211 0.000267 -0.000012 0.000630 0.000393 -0.000610 28O 1f+2 0.000309 -0.000415 0.000186 -0.000325 -0.000424 0.000320 28O 1f-2 -0.000369 -0.000493 0.000094 0.000521 0.000420 -0.000732 28O 1f+3 -0.000093 -0.000403 -0.000024 0.000282 0.000157 -0.000439 28O 1f-3 -0.000562 0.000139 -0.000063 0.000160 0.000283 -0.000335 29O 1s 0.000321 0.000575 -0.001181 -0.001449 0.010051 -0.000046 29O 2s 0.000789 0.001398 -0.002890 -0.003555 0.024628 -0.000120 29O 3s -0.001358 -0.002366 0.005138 0.006307 -0.043162 0.000321 29O 4s -0.000971 -0.002580 0.004030 0.006922 -0.052910 -0.000346 29O 5s -0.007262 -0.007368 0.018931 0.016233 -0.092784 0.002446 29O 1pz -0.001450 -0.011739 -0.009022 0.001283 -0.027055 -0.001596 29O 1px 0.003865 -0.014954 0.012096 -0.012401 0.078262 -0.000713 29O 1py 0.001463 -0.018609 0.035938 -0.003549 0.024289 -0.000263 29O 2pz -0.001183 -0.010642 -0.008119 0.000583 -0.022672 -0.001368 29O 2px 0.003012 -0.012598 0.010074 -0.010387 0.065206 -0.000603 29O 2py 0.001610 -0.015253 0.029444 -0.002803 0.019130 -0.000328 29O 3pz -0.001552 0.005907 -0.002693 -0.006300 -0.026527 -0.006569 29O 3px 0.003100 -0.010688 0.018030 -0.015249 0.076154 -0.003109 29O 3py 0.002799 -0.012093 0.020063 -0.004260 0.027913 0.000575 29O 1dz2 -0.000006 0.000588 0.000202 0.000030 -0.000496 -0.000022 29O 1dxz -0.000020 -0.000555 -0.000473 0.000162 -0.000939 0.000021 29O 1dyz -0.000005 0.000565 0.000001 -0.000100 0.000034 -0.000052 29O 1dx2y2 0.000059 -0.000450 0.000237 -0.000218 0.001481 -0.000006 29O 1dxy -0.000028 -0.000064 0.000779 -0.000014 -0.000201 -0.000025 29O 2dz2 0.000407 0.002714 0.001452 0.000350 -0.001508 0.000022 29O 2dxz -0.000006 -0.003603 -0.001899 0.000159 -0.004115 -0.000286 29O 2dyz -0.000167 0.001321 -0.001187 -0.000176 0.000467 -0.000142 29O 2dx2y2 0.000589 -0.001882 -0.000262 -0.001140 0.006300 -0.000161 29O 2dxy 0.000058 -0.001097 0.004414 0.000194 -0.001975 -0.000109 29O 1f0 0.000054 -0.000146 -0.000128 -0.000009 -0.000566 -0.000057 29O 1f+1 -0.000045 -0.000477 -0.000035 -0.000119 0.000509 -0.000031 29O 1f-1 0.000012 -0.000384 0.000265 -0.000133 0.000298 -0.000055 29O 1f+2 -0.000017 0.000282 0.000039 -0.000039 0.000434 0.000009 29O 1f-2 0.000079 0.000125 0.000518 0.000060 0.000506 0.000089 29O 1f+3 0.000043 0.000039 -0.000529 -0.000059 0.000160 -0.000027 29O 1f-3 0.000043 -0.000299 0.000304 -0.000188 0.000750 -0.000062 30O 1s 0.000035 0.000803 0.002636 -0.010710 0.003995 0.007528 30O 2s 0.000087 0.001934 0.006362 -0.026105 0.009743 0.018280 30O 3s -0.000247 -0.002922 -0.009726 0.043801 -0.016509 -0.030009 30O 4s 0.000592 -0.005194 -0.017099 0.060607 -0.021534 -0.045946 30O 5s -0.000869 -0.011584 -0.033058 0.136116 -0.050132 -0.111640 30O 1pz -0.079092 0.006015 -0.002798 0.041134 -0.015155 -0.053590 30O 1px -0.017615 0.020345 0.061932 0.053934 -0.027445 -0.031239 30O 1py -0.050516 0.000043 -0.016194 -0.073183 0.031999 0.087639 30O 2pz -0.066874 0.006041 0.001501 0.032513 -0.012594 -0.043280 30O 2px -0.014712 0.016148 0.048860 0.051968 -0.024908 -0.030871 30O 2py -0.042007 -0.001493 -0.017968 -0.060028 0.027793 0.071283 30O 3pz -0.052894 0.007534 -0.006027 0.023792 -0.016026 -0.039538 30O 3px -0.010128 0.010804 0.033584 0.065119 -0.025406 -0.054213 30O 3py -0.031662 0.005033 -0.004477 -0.052767 0.027456 0.077975 30O 1dz2 0.001388 -0.000244 -0.000052 0.000018 0.000053 0.000013 30O 1dxz -0.000367 -0.000224 -0.001132 0.000061 0.000180 -0.000155 30O 1dyz -0.000454 -0.000109 -0.000596 0.002311 -0.000905 -0.001960 30O 1dx2y2 0.000527 0.000034 0.000293 0.001680 -0.000867 -0.001405 30O 1dxy -0.000646 0.000448 0.001280 -0.000174 -0.000087 0.000292 30O 2dz2 0.005041 -0.000433 0.000714 -0.000602 0.000393 0.000503 30O 2dxz -0.000582 0.000638 -0.003225 -0.001972 0.001213 0.001379 30O 2dyz -0.001912 -0.000549 -0.001948 0.006445 -0.001634 -0.005231 30O 2dx2y2 0.002575 0.000057 -0.000938 0.006801 -0.003335 -0.005248 30O 2dxy -0.001283 0.001858 0.004087 0.002046 -0.001097 -0.001377 30O 1f0 -0.000070 -0.000022 0.000207 0.000546 -0.000103 -0.000531 30O 1f+1 0.000776 0.000081 0.000029 -0.000191 0.000157 0.000265 30O 1f-1 -0.000071 -0.000087 -0.000256 -0.000070 0.000087 0.000160 30O 1f+2 -0.000064 -0.000076 -0.000476 0.000221 0.000021 -0.000016 30O 1f-2 -0.000335 -0.000020 0.000252 0.000842 -0.000392 -0.000880 30O 1f+3 -0.000434 -0.000190 -0.000323 -0.000859 0.000462 0.001024 30O 1f-3 0.000404 -0.000191 -0.000633 -0.000050 -0.000053 0.000131 31O 1s -0.000042 0.000801 0.002637 0.010709 -0.003983 0.007537 31O 2s -0.000105 0.001929 0.006365 0.026102 -0.009712 0.018303 31O 3s 0.000273 -0.002914 -0.009728 -0.043800 0.016454 -0.030050 31O 4s -0.000539 -0.005169 -0.017112 -0.060575 0.021479 -0.045992 31O 5s 0.000861 -0.011658 -0.033251 -0.136187 0.049920 -0.111956 31O 1pz -0.079218 -0.005892 0.002847 0.041086 -0.015067 0.053591 31O 1px -0.017674 -0.020310 -0.061875 0.053916 -0.027412 0.031276 31O 1py -0.050552 -0.000014 0.016112 -0.073201 0.031895 -0.087726 31O 2pz -0.067004 -0.005940 -0.001462 0.032469 -0.012540 0.043253 31O 2px -0.014762 -0.016121 -0.048799 0.051951 -0.024855 0.030913 31O 2py -0.042034 0.001513 0.017912 -0.060047 0.027735 -0.071344 31O 3pz -0.052933 -0.007433 0.006013 0.023790 -0.015903 0.039573 31O 3px -0.010154 -0.010722 -0.033468 0.065138 -0.025380 0.054391 31O 3py -0.031640 -0.005004 0.004406 -0.052783 0.027151 -0.078053 31O 1dz2 -0.001390 -0.000242 -0.000053 -0.000019 -0.000053 0.000012 31O 1dxz 0.000368 -0.000223 -0.001132 -0.000061 -0.000182 -0.000155 31O 1dyz 0.000456 -0.000109 -0.000597 -0.002311 0.000903 -0.001961 31O 1dx2y2 -0.000527 0.000035 0.000292 -0.001680 0.000866 -0.001407 31O 1dxy 0.000648 0.000446 0.001280 0.000174 0.000087 0.000292 31O 2dz2 -0.005054 -0.000431 0.000713 0.000595 -0.000389 0.000503 31O 2dxz 0.000584 0.000641 -0.003216 0.001976 -0.001211 0.001390 31O 2dyz 0.001914 -0.000546 -0.001941 -0.006444 0.001625 -0.005223 31O 2dx2y2 -0.002577 0.000061 -0.000944 -0.006802 0.003330 -0.005260 31O 2dxy 0.001282 0.001857 0.004080 -0.002050 0.001100 -0.001384 31O 1f0 -0.000071 0.000022 -0.000207 0.000546 -0.000103 0.000531 31O 1f+1 0.000777 -0.000082 -0.000029 -0.000190 0.000156 -0.000264 31O 1f-1 -0.000070 0.000086 0.000255 -0.000071 0.000088 -0.000162 31O 1f+2 -0.000065 0.000074 0.000475 0.000221 0.000021 0.000014 31O 1f-2 -0.000336 0.000021 -0.000252 0.000842 -0.000391 0.000880 31O 1f+3 -0.000434 0.000190 0.000323 -0.000860 0.000461 -0.001026 31O 1f-3 0.000405 0.000189 0.000632 -0.000050 -0.000054 -0.000130 32O 1s -0.000319 0.000534 -0.001205 0.001454 -0.010042 -0.000035 32O 2s -0.000783 0.001297 -0.002949 0.003569 -0.024605 -0.000095 32O 3s 0.001349 -0.002199 0.005233 -0.006333 0.043117 0.000281 32O 4s 0.000959 -0.002356 0.004152 -0.006897 0.052874 -0.000447 32O 5s 0.007228 -0.007107 0.019145 -0.016691 0.092650 0.002634 32O 1pz -0.001502 0.011588 0.009448 0.001322 -0.027249 0.001613 32O 1px 0.003891 0.014527 -0.012009 -0.012339 0.078248 0.000567 32O 1py 0.001533 0.018002 -0.036258 -0.003619 0.024345 0.000276 32O 2pz -0.001271 0.010527 0.008459 0.000607 -0.022822 0.001389 32O 2px 0.003018 0.012250 -0.010021 -0.010323 0.065201 0.000480 32O 2py 0.001666 0.014771 -0.029692 -0.002890 0.019186 0.000348 32O 3pz -0.001782 -0.006012 0.003135 -0.006250 -0.026671 0.006568 32O 3px 0.003064 0.010260 -0.017937 -0.015043 0.076156 0.002852 32O 3py 0.002846 0.011412 -0.020418 -0.004701 0.027909 -0.000304 32O 1dz2 0.000007 0.000568 0.000185 -0.000034 0.000505 -0.000021 32O 1dxz 0.000018 -0.000573 -0.000474 -0.000160 0.000927 0.000020 32O 1dyz 0.000007 0.000570 0.000001 0.000102 -0.000043 -0.000053 32O 1dx2y2 -0.000060 -0.000454 0.000235 0.000214 -0.001487 -0.000001 32O 1dxy 0.000028 -0.000069 0.000776 0.000012 0.000195 -0.000023 32O 2dz2 -0.000410 0.002665 0.001413 -0.000325 0.001567 -0.000001 32O 2dxz 0.000014 -0.003660 -0.001901 -0.000145 0.004039 -0.000291 32O 2dyz 0.000143 0.001325 -0.001173 0.000169 -0.000502 -0.000138 32O 2dx2y2 -0.000586 -0.001876 -0.000262 0.001173 -0.006333 -0.000169 32O 2dxy -0.000073 -0.001100 0.004410 -0.000166 0.001961 -0.000128 32O 1f0 0.000050 0.000134 0.000139 -0.000009 -0.000575 0.000058 32O 1f+1 -0.000048 0.000476 0.000043 -0.000115 0.000498 0.000029 32O 1f-1 0.000013 0.000378 -0.000273 -0.000136 0.000292 0.000056 32O 1f+2 -0.000017 -0.000288 -0.000027 -0.000037 0.000433 -0.000010 32O 1f-2 0.000082 -0.000130 -0.000524 0.000055 0.000520 -0.000088 32O 1f+3 0.000042 -0.000038 0.000524 -0.000057 0.000157 0.000025 32O 1f-3 0.000043 0.000299 -0.000299 -0.000188 0.000744 0.000062 33O 1s -0.000242 0.002910 -0.000678 -0.009326 -0.006786 -0.007676 33O 2s -0.000564 0.007015 -0.001632 -0.022743 -0.016545 -0.018647 33O 3s 0.000606 -0.010816 0.002463 0.038293 0.028012 0.030721 33O 4s 0.003159 -0.018690 0.004577 0.052723 0.039102 0.047002 33O 5s -0.007828 -0.021147 0.005793 0.120426 0.065305 0.109995 33O 1pz -0.048538 -0.013192 -0.002574 -0.059399 -0.043787 -0.088263 33O 1px -0.030686 -0.070668 0.011480 -0.030537 -0.028071 -0.014822 33O 1py 0.075132 -0.032158 0.011347 -0.049201 -0.041281 -0.058440 33O 2pz -0.041201 -0.015342 -0.001328 -0.047257 -0.038359 -0.071402 33O 2px -0.025823 -0.056720 0.009258 -0.031539 -0.025681 -0.016961 33O 2py 0.063179 -0.028729 0.009539 -0.042136 -0.036174 -0.049332 33O 3pz -0.031885 -0.004018 -0.003839 -0.037579 -0.032269 -0.075189 33O 3px -0.018710 -0.043735 0.003430 -0.046551 -0.023887 -0.039206 33O 3py 0.048318 -0.014381 0.012526 -0.040764 -0.033546 -0.058756 33O 1dz2 -0.001185 -0.000008 -0.000237 -0.001512 -0.001158 -0.001484 33O 1dxz 0.000014 -0.001565 0.000415 0.000778 0.000339 0.000864 33O 1dyz 0.000830 -0.000038 0.000117 -0.001653 -0.001295 -0.001609 33O 1dx2y2 -0.000095 0.000910 -0.000206 0.000327 0.000563 0.000336 33O 1dxy -0.000879 -0.000345 -0.000032 0.000469 0.000425 0.000563 33O 2dz2 -0.004679 0.001399 -0.000738 -0.005229 -0.004021 -0.004801 33O 2dxz -0.000297 -0.004758 0.002045 -0.000327 -0.000018 0.000099 33O 2dyz 0.002883 0.000412 0.000463 -0.005849 -0.004365 -0.005330 33O 2dx2y2 -0.001180 0.002083 0.000569 0.003062 0.002486 0.002740 33O 2dxy -0.002335 -0.002198 -0.000645 0.000839 0.000951 0.001087 33O 1f0 0.000112 -0.000497 0.000167 -0.000135 -0.000020 -0.000261 33O 1f+1 0.000699 0.000195 -0.000123 0.000493 0.000557 0.000789 33O 1f-1 0.000209 -0.000268 0.000012 0.000629 0.000394 0.000609 33O 1f+2 0.000307 0.000416 -0.000187 -0.000326 -0.000425 -0.000320 33O 1f-2 -0.000368 0.000494 -0.000095 0.000520 0.000419 0.000729 33O 1f+3 -0.000093 0.000405 0.000023 0.000282 0.000158 0.000440 33O 1f-3 -0.000564 -0.000139 0.000063 0.000160 0.000284 0.000333 34O 1s 0.000110 -0.000664 -0.002739 -0.010660 0.004038 0.007467 34O 2s 0.000288 -0.001615 -0.006627 -0.025971 0.009817 0.018159 34O 3s -0.000768 0.002684 0.010485 0.043379 -0.016270 -0.030240 34O 4s 0.001064 0.003516 0.016509 0.061856 -0.024826 -0.043046 34O 5s -0.010285 0.006407 0.029289 0.129961 -0.031867 -0.122757 34O 1pz 0.076293 0.016675 0.031918 -0.056830 0.023191 0.051975 34O 1px 0.015234 -0.010790 -0.044782 -0.005541 -0.001853 0.035588 34O 1py 0.051724 -0.006692 -0.036226 0.081316 -0.035444 -0.087024 34O 2pz 0.063881 0.014194 0.027999 -0.049567 0.021089 0.044725 34O 2px 0.012698 -0.007704 -0.032564 0.001987 -0.001257 0.024732 34O 2py 0.043617 -0.006758 -0.033400 0.069292 -0.031611 -0.072672 34O 3pz 0.051591 0.012904 0.012757 -0.051014 0.015860 0.053422 34O 3px 0.008512 -0.008688 -0.030115 0.018377 0.000787 0.005115 34O 3py 0.033885 0.002590 -0.013224 0.065258 -0.028316 -0.083469 34O 1dz2 0.000381 0.000209 0.000795 0.000911 -0.000272 -0.000849 34O 1dxz 0.001253 0.000245 0.000028 -0.001148 0.000538 0.001018 34O 1dyz -0.000480 -0.000133 -0.000285 0.001118 -0.000418 -0.000867 34O 1dx2y2 0.000729 -0.000250 -0.001510 0.000244 -0.000403 -0.000036 34O 1dxy 0.000646 0.000241 0.000624 0.002134 -0.000900 -0.001888 34O 2dz2 0.002350 -0.000197 0.002684 0.001230 -0.000377 -0.001016 34O 2dxz 0.003912 0.001060 -0.001404 -0.004300 0.001741 0.003302 34O 2dyz -0.002050 -0.000188 -0.001548 0.004316 -0.001176 -0.003508 34O 2dx2y2 0.002987 -0.000930 -0.004339 0.004000 -0.001570 -0.002794 34O 2dxy 0.001995 0.001599 0.003434 0.006399 -0.002582 -0.004877 34O 1f0 -0.000520 0.000030 -0.000093 -0.000374 0.000049 0.000240 34O 1f+1 -0.000205 -0.000023 0.000202 0.000057 -0.000168 -0.000091 34O 1f-1 0.000465 -0.000046 0.000254 -0.000285 0.000104 0.000308 34O 1f+2 0.000345 0.000097 0.000479 -0.000872 0.000298 0.000950 34O 1f-2 -0.000093 -0.000087 -0.000457 -0.000385 0.000187 0.000359 34O 1f+3 -0.000280 0.000234 0.000616 0.000211 -0.000193 -0.000090 34O 1f-3 -0.000607 0.000105 0.000362 -0.000697 0.000444 0.000835 35O 1s 0.000160 -0.002711 0.000440 0.009301 0.006760 -0.007627 35O 2s 0.000383 -0.006523 0.001055 0.022675 0.016484 -0.018564 35O 3s -0.000552 0.009850 -0.001519 -0.038078 -0.027776 0.031207 35O 4s -0.001306 0.017662 -0.003309 -0.053135 -0.038294 0.042923 35O 5s -0.002113 0.027844 -0.002254 -0.119945 -0.083846 0.126243 35O 1pz 0.049956 0.054311 -0.006973 0.072250 0.058661 -0.088137 35O 1px 0.027148 -0.056106 0.011657 -0.006588 -0.010816 -0.019772 35O 1py -0.073963 0.009145 -0.007941 0.042937 0.035137 -0.059962 35O 2pz 0.041821 0.047868 -0.006227 0.061961 0.050755 -0.074412 35O 2px 0.022575 -0.042657 0.008894 -0.011890 -0.012359 -0.011780 35O 2py -0.062147 0.011040 -0.007096 0.034333 0.029564 -0.049192 35O 3pz 0.034251 0.027314 -0.000370 0.061533 0.052063 -0.087686 35O 3px 0.016120 -0.032789 0.010258 -0.026525 -0.015135 0.007250 35O 3py -0.049755 -0.000083 -0.009119 0.030045 0.025987 -0.048740 35O 1dz2 0.000563 0.001029 -0.000126 0.000239 0.000365 -0.000146 35O 1dxz 0.000898 -0.000215 0.000178 0.001380 0.001117 -0.001450 35O 1dyz -0.000052 0.000151 -0.000063 0.001613 0.001262 -0.001543 35O 1dx2y2 0.001110 -0.001006 0.000373 -0.000241 -0.000461 0.000245 35O 1dxy -0.000756 -0.001112 0.000067 0.001229 0.000824 -0.001293 35O 2dz2 0.003154 0.002588 -0.001386 0.002934 0.002276 -0.002343 35O 2dxz 0.002964 -0.002220 0.001281 0.004224 0.003370 -0.003676 35O 2dyz -0.000945 0.000185 0.000698 0.005477 0.003979 -0.004993 35O 2dx2y2 0.003777 -0.001696 0.001060 -0.002727 -0.003222 0.002283 35O 2dxy -0.002008 -0.003759 -0.000461 0.002186 0.000975 -0.002229 35O 1f0 -0.000732 -0.000282 0.000209 -0.000333 -0.000339 0.000522 35O 1f+1 -0.000086 0.000637 -0.000185 0.000034 -0.000054 -0.000036 35O 1f-1 0.000155 -0.000113 0.000014 -0.000870 -0.000592 0.000933 35O 1f+2 -0.000064 0.000075 -0.000034 0.000595 0.000583 -0.000796 35O 1f-2 -0.000017 0.000603 -0.000043 0.000091 0.000171 -0.000262 35O 1f+3 -0.000550 0.000360 0.000014 0.000117 0.000168 -0.000285 35O 1f-3 0.000370 0.000181 0.000014 -0.000171 -0.000295 0.000289 120 121 122 123 124 125 -0.01686 -0.01652 -0.01022 -0.00428 0.00847 0.02125 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s -0.000013 -0.000013 -0.000096 -0.000123 0.001803 -0.002354 0Rh 2s 0.000031 0.000037 0.000345 0.000479 -0.007202 0.007011 0Rh 3s -0.000058 -0.000051 -0.000344 -0.000418 0.006002 -0.009323 0Rh 4s -0.000128 -0.000151 -0.001479 -0.002079 0.031415 -0.029470 0Rh 5s -0.000033 0.000009 0.001039 0.001721 -0.028385 0.008123 0Rh 6s 0.000689 0.000712 0.002784 0.003218 -0.038095 0.105847 0Rh 7s -0.004733 0.002305 -0.002599 0.024169 -0.581587 -0.061536 0Rh 8s 0.006078 -0.044865 0.000645 -0.070633 1.409928 -1.805873 0Rh 1pz 0.004025 0.002116 -0.000002 -0.000074 0.000668 -0.001094 0Rh 1px 0.001661 -0.000067 -0.000114 0.000150 -0.001781 0.003514 0Rh 1py -0.001919 0.004234 -0.000002 0.000081 -0.000374 0.000681 0Rh 2pz -0.013739 -0.007226 0.000001 0.000252 -0.002144 0.003620 0Rh 2px -0.005668 0.000234 0.000397 -0.000498 0.005584 -0.011633 0Rh 2py 0.006550 -0.014452 0.000012 -0.000271 0.001190 -0.002282 0Rh 3pz 0.011879 0.006280 0.000119 -0.000191 -0.000691 -0.000951 0Rh 3px 0.004847 -0.000317 -0.000479 0.000162 0.004321 0.003206 0Rh 3py -0.005680 0.012467 -0.000075 0.000108 0.000590 0.001144 0Rh 4pz 0.016499 0.008565 -0.000432 -0.000389 0.011759 -0.012586 0Rh 4px 0.007031 0.000121 -0.000026 0.001544 -0.039849 0.039901 0Rh 4py -0.007786 0.017531 0.000235 0.000778 -0.007302 0.005950 0Rh 5pz 0.006875 0.003881 0.000823 -0.000070 -0.014570 0.015622 0Rh 5px 0.002237 -0.000755 -0.000766 -0.001215 0.053548 -0.048664 0Rh 5py -0.003482 0.006748 -0.000617 -0.000686 0.009409 -0.006057 0Rh 6pz -0.147351 -0.076932 -0.003527 0.003001 0.069305 -0.226276 0Rh 6px -0.050524 0.009648 0.003923 -0.000657 -0.143362 0.678457 0Rh 6py 0.068157 -0.146520 0.009351 0.000282 -0.011928 0.103159 0Rh 1dz2 0.002327 0.000068 -0.035719 0.000641 -0.007882 0.007229 0Rh 1dxz -0.000915 -0.000500 -0.016212 0.000729 -0.009123 0.009593 0Rh 1dyz -0.000954 0.000226 0.017281 -0.000695 -0.001457 0.001956 0Rh 1dx2y2 -0.000151 0.000539 -0.025309 0.000264 0.013712 -0.015170 0Rh 1dxy 0.000098 -0.001900 -0.002997 -0.000482 0.006805 -0.006871 0Rh 2dz2 -0.000140 0.000005 0.001404 -0.000027 0.000377 -0.000520 0Rh 2dxz 0.000064 0.000024 0.000649 -0.000029 0.000468 -0.000676 0Rh 2dyz 0.000041 -0.000021 -0.000673 0.000026 0.000079 -0.000137 0Rh 2dx2y2 0.000008 -0.000035 0.001010 -0.000009 -0.000683 0.001047 0Rh 2dxy -0.000001 0.000112 0.000109 0.000029 -0.000337 0.000473 0Rh 3dz2 -0.003334 -0.000134 0.054455 -0.000972 0.011678 -0.009992 0Rh 3dxz 0.001275 0.000740 0.024717 -0.001106 0.013407 -0.013355 0Rh 3dyz 0.001434 -0.000298 -0.026397 0.001065 0.002115 -0.002725 0Rh 3dx2y2 0.000206 -0.000756 0.038573 -0.000417 -0.020184 0.021173 0Rh 3dxy -0.000158 0.002722 0.004615 0.000687 -0.010064 0.009635 0Rh 4dz2 -0.005156 -0.000065 0.070102 -0.001277 0.015842 -0.016935 0Rh 4dxz 0.002132 0.001036 0.031714 -0.001419 0.018652 -0.022334 0Rh 4dyz 0.001910 -0.000549 -0.033882 0.001331 0.003040 -0.004557 0Rh 4dx2y2 0.000335 -0.001214 0.049941 -0.000515 -0.027988 0.035241 0Rh 4dxy -0.000163 0.004186 0.005840 0.001056 -0.013901 0.015868 0Rh 5dz2 -0.000382 -0.000359 0.042690 -0.000722 0.011566 0.002053 0Rh 5dxz -0.000366 0.000359 0.019754 -0.001167 0.012428 0.001944 0Rh 5dyz 0.000994 -0.000286 -0.020841 0.001141 0.001803 0.000753 0Rh 5dx2y2 -0.000171 0.000007 0.029396 -0.000018 -0.019371 -0.002565 0Rh 5dxy -0.000175 -0.000054 0.003461 0.000271 -0.008372 -0.001282 0Rh 1f0 -0.004896 0.002162 0.000662 0.000139 -0.000131 0.000894 0Rh 1f+1 -0.002341 -0.000306 -0.000527 -0.000007 0.000099 -0.000664 0Rh 1f-1 0.002340 0.006357 -0.000334 0.000084 0.000062 -0.000171 0Rh 1f+2 -0.004663 0.000917 -0.000170 -0.000021 0.000100 -0.000928 0Rh 1f-2 -0.000628 0.003046 0.000270 0.000043 -0.000014 -0.000266 0Rh 1f+3 0.001925 0.000616 0.000592 -0.000098 0.000081 -0.001031 0Rh 1f-3 -0.000011 -0.002357 0.000242 -0.000131 -0.000132 -0.000438 1Rh 1s 0.000025 0.000008 -0.000095 -0.000124 0.001792 0.002365 1Rh 2s -0.000072 -0.000017 0.000344 0.000484 -0.007170 -0.007055 1Rh 3s 0.000099 0.000033 -0.000341 -0.000422 0.005957 0.009361 1Rh 4s 0.000304 0.000065 -0.001472 -0.002099 0.031282 0.029662 1Rh 5s -0.000087 0.000060 0.001041 0.001738 -0.028363 -0.008291 1Rh 6s -0.001054 -0.000567 0.002747 0.003247 -0.037562 -0.106102 1Rh 7s 0.005373 -0.001776 -0.002500 0.024168 -0.582357 0.058088 1Rh 8s -0.006075 0.042784 0.000670 -0.070997 1.401773 1.814390 1Rh 1pz 0.004024 0.002117 0.000044 0.000071 -0.000666 -0.001092 1Rh 1px 0.001666 -0.000072 0.000135 -0.000148 0.001763 0.003502 1Rh 1py -0.001915 0.004235 -0.000035 -0.000120 0.000377 0.000681 1Rh 2pz -0.013737 -0.007227 -0.000143 -0.000241 0.002136 0.003613 1Rh 2px -0.005683 0.000252 -0.000467 0.000491 -0.005527 -0.011588 1Rh 2py 0.006539 -0.014456 0.000115 0.000401 -0.001200 -0.002281 1Rh 3pz 0.011876 0.006282 0.000006 0.000181 0.000689 -0.000939 1Rh 3px 0.004860 -0.000328 0.000542 -0.000155 -0.004332 0.003121 1Rh 3py -0.005672 0.012471 -0.000038 -0.000219 -0.000573 0.001133 1Rh 4pz 0.016506 0.008560 0.000591 0.000376 -0.011718 -0.012596 1Rh 4px 0.007044 0.000084 0.000107 -0.001542 0.039635 0.040012 1Rh 4py -0.007764 0.017540 -0.000382 -0.000942 0.007283 0.005986 1Rh 5pz 0.006850 0.003901 -0.000729 0.000080 0.014502 0.015639 1Rh 5px 0.002267 -0.000740 0.000811 0.001234 -0.053274 -0.048949 1Rh 5py -0.003500 0.006743 0.000548 0.000645 -0.009338 -0.006124 1Rh 6pz -0.146976 -0.077007 0.001809 -0.003035 -0.068125 -0.225328 1Rh 6px -0.050711 0.009767 -0.004709 0.000441 0.139667 0.679710 1Rh 6py 0.068566 -0.146374 -0.007866 0.000960 0.010807 0.103443 1Rh 1dz2 -0.001748 -0.000131 -0.035778 0.000640 -0.007807 -0.007252 1Rh 1dxz 0.001131 0.000482 -0.016225 0.000693 -0.009069 -0.009656 1Rh 1dyz 0.000970 -0.000360 0.017263 -0.000689 -0.001419 -0.001939 1Rh 1dx2y2 0.000524 -0.000584 -0.025313 0.000274 0.013593 0.015245 1Rh 1dxy 0.000064 0.001853 -0.003041 -0.000498 0.006768 0.006906 1Rh 2dz2 0.000118 -0.000002 0.001405 -0.000027 0.000374 0.000521 1Rh 2dxz -0.000072 -0.000024 0.000653 -0.000027 0.000465 0.000679 1Rh 2dyz -0.000042 0.000026 -0.000672 0.000025 0.000078 0.000136 1Rh 2dx2y2 -0.000024 0.000037 0.001011 -0.000009 -0.000678 -0.001053 1Rh 2dxy -0.000005 -0.000111 0.000112 0.000030 -0.000336 -0.000475 1Rh 3dz2 0.002453 0.000226 0.054548 -0.000969 0.011566 0.010023 1Rh 3dxz -0.001605 -0.000709 0.024727 -0.001055 0.013329 0.013452 1Rh 3dyz -0.001455 0.000500 -0.026369 0.001055 0.002056 0.002702 1Rh 3dx2y2 -0.000769 0.000825 0.038577 -0.000432 -0.020008 -0.021274 1Rh 3dxy -0.000088 -0.002651 0.004677 0.000708 -0.010006 -0.009688 1Rh 4dz2 0.004029 0.000198 0.070208 -0.001276 0.015692 0.016989 1Rh 4dxz -0.002550 -0.001012 0.031771 -0.001333 0.018534 0.022453 1Rh 4dyz -0.001941 0.000816 -0.033850 0.001318 0.002968 0.004512 1Rh 4dx2y2 -0.001081 0.001303 0.049954 -0.000534 -0.027745 -0.035419 1Rh 4dxy -0.000153 -0.004095 0.005940 0.001100 -0.013829 -0.015937 1Rh 5dz2 -0.000341 0.000408 0.042785 -0.000709 0.011471 -0.002040 1Rh 5dxz 0.000101 -0.000301 0.019674 -0.001176 0.012393 -0.001830 1Rh 5dyz -0.001037 0.000440 -0.020794 0.001126 0.001717 -0.000706 1Rh 5dx2y2 -0.000245 0.000054 0.029378 -0.000030 -0.019252 0.002570 1Rh 5dxy -0.000029 0.000115 0.003464 0.000238 -0.008313 0.001255 1Rh 1f0 -0.004885 0.002157 -0.000728 -0.000170 0.000133 0.000894 1Rh 1f+1 -0.002355 -0.000305 0.000502 0.000002 -0.000095 -0.000670 1Rh 1f-1 0.002335 0.006363 0.000368 -0.000094 -0.000059 -0.000166 1Rh 1f+2 -0.004673 0.000916 0.000100 -0.000007 -0.000086 -0.000924 1Rh 1f-2 -0.000631 0.003049 -0.000280 -0.000056 0.000017 -0.000271 1Rh 1f+3 0.001928 0.000622 -0.000565 0.000104 -0.000079 -0.001034 1Rh 1f-3 -0.000006 -0.002357 -0.000239 0.000144 0.000131 -0.000438 2C 1s 0.001091 0.001306 -0.000064 -0.000964 0.012082 -0.001123 2C 2s 0.002468 0.003052 -0.000108 -0.002141 0.027214 -0.002503 2C 3s -0.006442 -0.010474 -0.000576 0.005049 -0.076836 0.007560 2C 4s 0.007891 0.027075 0.005407 -0.000785 0.080648 -0.005666 2C 5s -0.148809 -0.313125 -0.038370 0.081743 -1.565939 0.147932 2C 1pz -0.004184 -0.003483 0.000923 -0.000837 0.000797 -0.004400 2C 1px -0.001356 -0.001860 0.000120 -0.001724 0.003354 0.010914 2C 1py -0.002553 -0.001397 0.002056 0.005076 -0.000520 0.000342 2C 2pz -0.004305 -0.005574 0.000323 -0.000253 -0.007514 0.007694 2C 2px -0.001332 -0.000406 -0.000108 0.000182 -0.000308 -0.001379 2C 2py -0.004616 -0.002094 0.002201 0.005449 -0.005356 0.006628 2C 3pz -0.008763 -0.074831 -0.029980 -0.012807 -0.106896 0.018508 2C 3px 0.005368 -0.037434 -0.016907 -0.016252 0.013076 -0.049730 2C 3py -0.074733 -0.009749 0.057029 0.046521 -0.087095 -0.017063 2C 1dz2 0.007030 -0.003774 -0.005300 -0.005693 -0.001173 -0.000060 2C 1dxz 0.006705 -0.003756 -0.005283 -0.005502 -0.000280 -0.000404 2C 1dyz -0.003863 0.002549 0.002988 0.003449 -0.000897 0.000836 2C 1dx2y2 0.006038 -0.003306 -0.004627 -0.004932 -0.000393 0.000652 2C 1dxy -0.004185 0.002463 0.003496 0.003323 -0.000034 0.000024 2C 2dz2 0.023025 -0.013516 -0.019147 -0.017744 -0.002908 0.006519 2C 2dxz 0.018662 -0.012370 -0.015038 -0.015859 -0.006309 -0.001282 2C 2dyz -0.014508 0.007382 0.011488 0.010880 -0.001732 0.000177 2C 2dx2y2 0.019044 -0.009725 -0.015184 -0.014414 0.000682 -0.006829 2C 2dxy -0.010435 0.005565 0.007220 0.010197 -0.001061 -0.004326 2C 1f0 0.004174 -0.002104 -0.003110 -0.003375 0.001051 -0.000440 2C 1f+1 0.000682 -0.000157 -0.000444 -0.000425 0.000179 -0.000371 2C 1f-1 0.000259 0.000274 -0.000046 -0.000154 0.001818 0.000259 2C 1f+2 0.002382 -0.001814 -0.001978 -0.001859 -0.003126 0.000741 2C 1f-2 0.001193 -0.000405 -0.000786 -0.001037 0.002559 -0.000511 2C 1f+3 0.000800 -0.000667 -0.000745 -0.000632 -0.002607 0.000499 2C 1f-3 -0.001871 0.001167 0.001473 0.001582 -0.000155 -0.000409 3C 1s 0.001173 -0.001309 0.000011 -0.001200 0.012159 0.001284 3C 2s 0.002779 -0.002901 -0.000081 -0.002635 0.027368 0.002927 3C 3s -0.010178 0.006662 0.002481 0.006163 -0.077815 -0.008650 3C 4s 0.028546 -0.004316 -0.013008 -0.001007 0.083286 0.011683 3C 5s -0.317577 0.119427 0.090929 0.059171 -1.550942 -0.174245 3C 1pz -0.000141 0.002710 -0.002122 0.006120 -0.002954 -0.002469 3C 1px -0.001122 0.002394 -0.001440 0.001520 0.003260 0.011420 3C 1py 0.003272 -0.005634 0.001684 -0.000004 -0.001633 -0.000431 3C 2pz -0.002926 0.003919 -0.001577 0.004323 -0.007310 -0.001578 3C 2px -0.001629 0.003154 -0.000643 0.002398 -0.003438 -0.001581 3C 2py 0.004879 -0.004131 0.000381 0.000825 0.006144 0.000155 3C 3pz 0.005559 0.067499 -0.052987 0.050386 -0.098358 0.033601 3C 3px -0.017985 0.022344 -0.015448 0.004139 -0.013625 -0.065708 3C 3py 0.085220 -0.006775 -0.036057 0.020592 0.091537 -0.019553 3C 1dz2 0.002188 0.004186 -0.002848 0.003662 0.000537 0.000034 3C 1dxz 0.002778 0.004864 -0.003669 0.004176 0.000041 -0.001052 3C 1dyz -0.004199 -0.006706 0.005153 -0.005950 0.000927 -0.000320 3C 1dx2y2 0.004508 0.008174 -0.006157 0.006929 0.000757 0.000570 3C 1dxy 0.001440 0.002681 -0.002153 0.002176 0.000511 -0.000033 3C 2dz2 0.009204 0.016451 -0.013808 0.011847 0.001206 0.003056 3C 2dxz 0.007800 0.014667 -0.011515 0.011806 0.000731 0.002869 3C 2dyz -0.011327 -0.021558 0.015847 -0.018387 0.001455 0.000667 3C 2dx2y2 0.015028 0.023827 -0.018768 0.020955 0.004277 -0.005304 3C 2dxy 0.004542 0.006324 -0.004644 0.006521 0.004356 0.008076 3C 1f0 0.000985 0.001717 -0.001331 0.001483 0.000854 0.000209 3C 1f+1 0.001151 0.001857 -0.001430 0.001597 0.000605 -0.000411 3C 1f-1 -0.002344 -0.004303 0.003091 -0.003706 0.001150 -0.000085 3C 1f+2 -0.000447 0.000122 0.000269 0.000236 -0.004324 -0.000810 3C 1f-2 -0.001103 -0.001197 0.001106 -0.000915 -0.002903 -0.000013 3C 1f+3 0.000427 0.000160 -0.000264 0.000242 0.000771 0.000099 3C 1f-3 0.000722 0.001548 -0.001126 0.001185 0.000247 0.000351 4C 1s -0.000902 -0.001108 0.000210 0.000384 -0.004499 0.000618 4C 2s -0.002159 -0.002709 0.000452 0.000902 -0.010247 0.001487 4C 3s 0.007537 0.010429 -0.000747 -0.002417 0.036123 -0.007424 4C 4s -0.015370 -0.021721 -0.001475 0.004846 -0.080865 0.017627 4C 5s 0.111821 0.224526 0.017717 -0.028375 0.223000 -0.080925 4C 1pz 0.125014 -0.067593 -0.095378 -0.097618 0.006633 0.003592 4C 1px 0.077615 -0.042989 -0.059714 -0.060677 -0.000672 -0.027406 4C 1py -0.206220 0.117112 0.159211 0.161136 0.024169 -0.003412 4C 2pz 0.132916 -0.067392 -0.104355 -0.100124 0.010105 0.021497 4C 2px 0.080009 -0.044358 -0.064494 -0.065454 0.010596 -0.054298 4C 2py -0.216388 0.128135 0.175453 0.164881 0.030795 -0.005275 4C 3pz 0.081653 -0.148236 -0.096164 -0.080878 -0.539782 -0.043073 4C 3px 0.066511 -0.036110 -0.050455 -0.067863 -0.065330 0.160011 4C 3py -0.236381 0.061824 0.151053 0.195553 -0.323686 0.049686 4C 1dz2 -0.005395 0.002136 0.003944 0.004357 -0.000310 0.000388 4C 1dxz -0.002165 0.000917 0.001647 0.001579 0.001868 -0.000713 4C 1dyz 0.002016 -0.002529 -0.002147 -0.001974 -0.003206 0.000386 4C 1dx2y2 -0.003408 0.002218 0.002793 0.003222 -0.002914 0.000616 4C 1dxy -0.000760 0.000128 0.000413 0.000722 -0.002111 0.000152 4C 2dz2 -0.004591 0.003569 0.003647 0.006410 -0.001090 0.001338 4C 2dxz -0.003147 0.001699 0.001841 0.002772 0.011707 -0.012011 4C 2dyz 0.002402 -0.001129 -0.001663 -0.001763 -0.022295 -0.001686 4C 2dx2y2 -0.005696 0.002320 0.003897 0.005009 -0.018698 0.005530 4C 2dxy -0.001031 0.000063 0.001383 0.000038 -0.014166 -0.004156 4C 1f0 0.000547 0.000179 -0.000220 -0.000529 0.001365 -0.000053 4C 1f+1 0.001050 0.000475 -0.000547 -0.000870 0.003191 -0.000819 4C 1f-1 -0.000202 0.000376 0.000252 0.000266 0.001093 0.000001 4C 1f+2 -0.001145 -0.000277 0.000747 0.000612 -0.002738 0.000535 4C 1f-2 -0.001179 0.000673 0.001143 0.001055 0.000891 -0.000233 4C 1f+3 0.001597 -0.000895 -0.001457 -0.001499 -0.000232 -0.000047 4C 1f-3 -0.000869 0.001447 0.001181 0.001442 0.002572 -0.000214 5C 1s -0.001033 0.001016 -0.000174 0.000562 -0.004438 -0.000627 5C 2s -0.002524 0.002434 -0.000387 0.001315 -0.010121 -0.001472 5C 3s 0.010035 -0.006855 0.000244 -0.002918 0.036236 0.004531 5C 4s -0.021729 0.007111 0.002909 0.001934 -0.082456 -0.008681 5C 5s 0.221767 -0.111330 -0.036104 -0.014935 0.207290 0.061271 5C 1pz 0.116963 0.205923 -0.153618 0.168696 0.017225 0.010039 5C 1px 0.023400 0.040610 -0.030680 0.033286 0.006102 -0.024428 5C 1py 0.076083 0.139839 -0.103010 0.114484 -0.009580 -0.006660 5C 2pz 0.126759 0.214173 -0.169924 0.172509 0.019189 0.016825 5C 2px 0.026759 0.044715 -0.033411 0.035251 0.011929 -0.053203 5C 2py 0.077293 0.151280 -0.113082 0.120927 -0.015176 -0.012166 5C 3pz 0.060767 0.219349 -0.136480 0.191198 -0.289902 -0.059446 5C 3px -0.007627 0.059496 -0.018900 0.050395 -0.186988 0.178286 5C 3py 0.150371 0.111451 -0.111290 0.113865 0.512176 0.043063 5C 1dz2 -0.002706 -0.005325 0.003902 -0.004854 0.002817 0.000428 5C 1dxz -0.001560 -0.002066 0.001719 -0.002080 0.001559 0.000164 5C 1dyz 0.002201 0.001663 -0.001872 0.001708 0.003617 0.000424 5C 1dx2y2 -0.001224 -0.003644 0.002518 -0.002867 -0.001733 -0.000700 5C 1dxy 0.000397 -0.000579 0.000129 -0.000298 0.000620 0.000340 5C 2dz2 -0.002975 -0.005426 0.003700 -0.006336 0.017015 0.004081 5C 2dxz -0.001598 -0.002092 0.002622 -0.002227 0.008135 -0.004780 5C 2dyz 0.000939 0.002627 -0.000640 0.001495 0.025436 -0.005078 5C 2dx2y2 -0.003332 -0.004795 0.003360 -0.005824 -0.012748 -0.006152 5C 2dxy -0.001604 -0.002480 0.000236 -0.002825 0.004011 0.006321 5C 1f0 0.000817 0.000855 -0.000765 0.000982 0.000742 0.000029 5C 1f+1 0.001249 0.001061 -0.001220 0.001513 0.001996 0.000325 5C 1f-1 0.000334 0.000879 -0.000787 0.000597 -0.000071 -0.000091 5C 1f+2 -0.001021 -0.001468 0.001374 -0.001479 -0.000985 -0.000141 5C 1f-2 -0.000380 0.000578 -0.000396 0.000284 -0.002588 0.000125 5C 1f+3 0.000743 -0.000148 -0.000222 0.000006 0.002806 0.000032 5C 1f-3 -0.000197 0.001404 -0.000865 0.001308 -0.002943 -0.000409 6C 1s 0.001019 -0.000999 -0.000156 0.000567 -0.004444 0.000624 6C 2s 0.002490 -0.002394 -0.000343 0.001324 -0.010134 0.001464 6C 3s -0.009989 0.006757 0.000071 -0.002963 0.036190 -0.004362 6C 4s 0.021941 -0.007064 0.003261 0.002020 -0.081944 0.007594 6C 5s -0.219288 0.109901 -0.039449 -0.015224 0.205756 -0.058776 6C 1pz 0.115615 0.205367 0.155040 -0.169064 -0.017166 0.009945 6C 1px 0.023169 0.040597 0.031038 -0.033421 -0.005937 -0.024452 6C 1py 0.075223 0.139420 0.103939 -0.114735 0.009686 -0.006696 6C 2pz 0.125201 0.213591 0.171429 -0.172889 -0.019351 0.016851 6C 2px 0.026485 0.044640 0.033648 -0.035395 -0.011464 -0.053233 6C 2py 0.076340 0.150888 0.114005 -0.121299 0.015437 -0.012313 6C 3pz 0.059812 0.218526 0.137324 -0.191432 0.289704 -0.057489 6C 3px -0.007755 0.059217 0.018597 -0.050624 0.186162 0.180842 6C 3py 0.149445 0.111043 0.113594 -0.113657 -0.511590 0.039100 6C 1dz2 0.002673 0.005298 0.003931 -0.004857 0.002807 -0.000408 6C 1dxz 0.001536 0.002055 0.001738 -0.002076 0.001555 -0.000156 6C 1dyz -0.002173 -0.001678 -0.001910 0.001717 0.003609 -0.000396 6C 1dx2y2 0.001221 0.003634 0.002538 -0.002880 -0.001739 0.000694 6C 1dxy -0.000387 0.000565 0.000116 -0.000294 0.000625 -0.000332 6C 2dz2 0.002887 0.005398 0.003687 -0.006322 0.017037 -0.003955 6C 2dxz 0.001531 0.002124 0.002643 -0.002231 0.008012 0.004841 6C 2dyz -0.001001 -0.002635 -0.000649 0.001501 0.025329 0.005266 6C 2dx2y2 0.003346 0.004747 0.003456 -0.005833 -0.012696 0.006005 6C 2dxy 0.001604 0.002467 0.000245 -0.002859 0.004190 -0.006387 6C 1f0 0.000812 0.000854 0.000777 -0.000985 -0.000731 0.000019 6C 1f+1 0.001240 0.001052 0.001238 -0.001508 -0.001994 0.000309 6C 1f-1 0.000324 0.000875 0.000787 -0.000598 0.000077 -0.000094 6C 1f+2 -0.001012 -0.001463 -0.001388 0.001478 0.000980 -0.000135 6C 1f-2 -0.000385 0.000583 0.000395 -0.000294 0.002577 0.000145 6C 1f+3 0.000745 -0.000142 0.000242 -0.000006 -0.002800 0.000012 6C 1f-3 -0.000207 0.001403 0.000862 -0.001315 0.002935 -0.000389 7C 1s 0.000877 0.001120 0.000203 0.000365 -0.004491 -0.000648 7C 2s 0.002104 0.002736 0.000436 0.000859 -0.010228 -0.001555 7C 3s -0.007426 -0.010518 -0.000679 -0.002357 0.035917 0.007612 7C 4s 0.015323 0.022080 -0.001781 0.004987 -0.080052 -0.017808 7C 5s -0.113348 -0.224354 0.015467 -0.029218 0.221834 0.084306 7C 1pz 0.123864 -0.067462 0.097513 0.098878 -0.006841 0.003482 7C 1px 0.076573 -0.042721 0.060763 0.061215 0.000632 -0.027370 7C 1py -0.203056 0.116204 -0.161748 -0.162207 -0.023688 -0.003539 7C 2pz 0.131749 -0.067310 0.106842 0.101373 -0.010455 0.021429 7C 2px 0.078914 -0.044054 0.065783 0.065966 -0.010734 -0.054665 7C 2py -0.212807 0.127099 -0.177848 -0.165954 -0.030427 -0.005486 7C 3pz 0.080129 -0.148981 0.097754 0.082066 0.539005 -0.040402 7C 3px 0.065592 -0.035763 0.051421 0.067999 0.063523 0.161460 7C 3py -0.233517 0.059945 -0.153666 -0.197033 0.325231 0.051576 7C 1dz2 0.005343 -0.002130 0.004032 0.004398 -0.000298 -0.000392 7C 1dxz 0.002143 -0.000921 0.001677 0.001593 0.001871 0.000728 7C 1dyz -0.001968 0.002522 -0.002174 -0.001990 -0.003211 -0.000420 7C 1dx2y2 0.003332 -0.002189 0.002829 0.003234 -0.002893 -0.000649 7C 1dxy 0.000752 -0.000124 0.000424 0.000728 -0.002096 -0.000163 7C 2dz2 0.004528 -0.003546 0.003767 0.006377 -0.001065 -0.001373 7C 2dxz 0.003188 -0.001720 0.001939 0.002765 0.011628 0.012181 7C 2dyz -0.002383 0.001139 -0.001686 -0.001826 -0.022319 0.001589 7C 2dx2y2 0.005537 -0.002198 0.003831 0.005066 -0.018552 -0.005629 7C 2dxy 0.000965 0.000010 0.001298 0.000018 -0.014114 0.004154 7C 1f0 0.000551 0.000184 0.000231 0.000538 -0.001348 -0.000070 7C 1f+1 0.001037 0.000485 0.000552 0.000877 -0.003161 -0.000826 7C 1f-1 -0.000202 0.000379 -0.000257 -0.000275 -0.001080 0.000001 7C 1f+2 -0.001136 -0.000280 -0.000764 -0.000626 0.002735 0.000561 7C 1f-2 -0.001160 0.000668 -0.001154 -0.001063 -0.000893 -0.000246 7C 1f+3 0.001573 -0.000890 0.001480 0.001511 0.000227 -0.000042 7C 1f-3 -0.000844 0.001441 -0.001199 -0.001442 -0.002559 -0.000219 8C 1s -0.001142 0.001274 -0.000011 -0.001200 0.012138 -0.001198 8C 2s -0.002708 0.002824 -0.000132 -0.002638 0.027322 -0.002736 8C 3s 0.009979 -0.006503 0.002642 0.006222 -0.077682 0.008136 8C 4s -0.028326 0.004383 -0.013345 -0.001337 0.083197 -0.011315 8C 5s 0.313640 -0.117680 0.095415 0.060651 -1.547654 0.162633 8C 1pz -0.000126 0.002631 0.002084 -0.006109 0.002940 -0.002434 8C 1px -0.001137 0.002375 0.001410 -0.001515 -0.003353 0.011356 8C 1py 0.003235 -0.005547 -0.001599 -0.000002 0.001542 -0.000409 8C 2pz -0.002853 0.003869 0.001542 -0.004305 0.007192 -0.001499 8C 2px -0.001522 0.003098 0.000604 -0.002420 0.003367 -0.001437 8C 2py 0.004745 -0.003954 -0.000208 -0.000920 -0.006069 0.000021 8C 3pz 0.005146 0.067038 0.052670 -0.050458 0.097627 0.034951 8C 3px -0.018378 0.022431 0.015176 -0.004082 0.013640 -0.066610 8C 3py 0.084716 -0.006460 0.037485 -0.020502 -0.091938 -0.020677 8C 1dz2 -0.002165 -0.004172 -0.002876 0.003668 0.000533 -0.000011 8C 1dxz -0.002804 -0.004951 -0.003787 0.004268 0.000038 0.001055 8C 1dyz 0.004136 0.006642 0.005174 -0.005924 0.000920 0.000338 8C 1dx2y2 -0.004428 -0.008108 -0.006178 0.006907 0.000756 -0.000579 8C 1dxy -0.001442 -0.002714 -0.002202 0.002214 0.000508 0.000029 8C 2dz2 -0.009080 -0.016435 -0.013936 0.011897 0.001232 -0.003156 8C 2dxz -0.007836 -0.014851 -0.011746 0.012065 0.000760 -0.002829 8C 2dyz 0.011153 0.021346 0.015859 -0.018321 0.001476 -0.000649 8C 2dx2y2 -0.014789 -0.023685 -0.018880 0.020942 0.004128 0.005456 8C 2dxy -0.004541 -0.006411 -0.004765 0.006650 0.004381 -0.007998 8C 1f0 0.000969 0.001712 0.001339 -0.001487 -0.000861 0.000192 8C 1f+1 0.001120 0.001830 0.001422 -0.001584 -0.000532 -0.000419 8C 1f-1 -0.002328 -0.004294 -0.003123 0.003722 -0.001133 -0.000093 8C 1f+2 -0.000446 0.000101 -0.000287 -0.000224 0.004300 -0.000780 8C 1f-2 -0.001083 -0.001178 -0.001110 0.000896 0.002937 -0.000003 8C 1f+3 0.000428 0.000165 0.000269 -0.000250 -0.000740 0.000081 8C 1f-3 0.000722 0.001568 0.001152 -0.001210 -0.000220 0.000344 9C 1s -0.001071 -0.001334 -0.000057 -0.000932 0.012068 0.001228 9C 2s -0.002429 -0.003113 -0.000099 -0.002072 0.027182 0.002739 9C 3s 0.006466 0.010601 -0.000467 0.004921 -0.076679 -0.008225 9C 4s -0.008530 -0.027025 0.004643 -0.000943 0.080238 0.006299 9C 5s 0.151670 0.315351 -0.035109 0.082406 -1.563449 -0.160441 9C 1pz -0.004009 -0.003516 -0.000802 0.000986 -0.000622 -0.004458 9C 1px -0.001309 -0.001842 -0.000073 0.001767 -0.003418 0.010860 9C 1py -0.002493 -0.001507 -0.002053 -0.004959 0.000343 0.000341 9C 2pz -0.004108 -0.005675 -0.000093 0.000376 0.007579 0.007900 9C 2px -0.001300 -0.000472 0.000165 -0.000139 0.000285 -0.001407 9C 2py -0.004511 -0.002173 -0.002102 -0.005459 0.005219 0.006662 9C 3pz -0.008818 -0.074816 0.030480 0.012992 0.107336 0.018753 9C 3px 0.005459 -0.037071 0.017371 0.016701 -0.013358 -0.050414 9C 3py -0.074283 -0.010669 -0.058238 -0.046636 0.086283 -0.016086 9C 1dz2 -0.006919 0.003738 -0.005381 -0.005726 -0.001156 0.000052 9C 1dxz -0.006576 0.003707 -0.005344 -0.005517 -0.000258 0.000422 9C 1dyz 0.003644 -0.002435 0.002904 0.003343 -0.000912 -0.000843 9C 1dx2y2 -0.006154 0.003396 -0.004876 -0.005130 -0.000385 -0.000645 9C 1dxy 0.004086 -0.002423 0.003521 0.003318 -0.000050 -0.000068 9C 2dz2 -0.022693 0.013442 -0.019501 -0.017858 -0.002724 -0.006523 9C 2dxz -0.018310 0.012282 -0.015267 -0.015901 -0.006287 0.001157 9C 2dyz 0.013829 -0.007059 0.011289 0.010567 -0.001829 -0.000344 9C 2dx2y2 -0.019269 0.009966 -0.015805 -0.015017 0.000679 0.006823 9C 2dxy 0.010156 -0.005463 0.007271 0.010132 -0.001082 0.004532 9C 1f0 0.004152 -0.002114 0.003199 0.003429 -0.001045 -0.000446 9C 1f+1 0.000693 -0.000166 0.000469 0.000448 -0.000199 -0.000396 9C 1f-1 0.000272 0.000270 0.000062 0.000159 -0.001787 0.000247 9C 1f+2 0.002300 -0.001792 0.001976 0.001838 0.003196 0.000779 9C 1f-2 0.001179 -0.000403 0.000806 0.001038 -0.002494 -0.000519 9C 1f+3 0.000816 -0.000684 0.000780 0.000668 0.002558 0.000536 9C 1f-3 -0.001810 0.001131 -0.001466 -0.001565 0.000266 -0.000379 10H 1s -0.006155 0.003619 0.004893 0.004895 0.002335 0.004998 10H 2s -0.008494 0.005406 0.007601 0.007855 -0.028163 0.043090 10H 3s -0.015294 0.078853 0.038712 0.020598 0.342976 -0.057169 10H 1pz 0.000386 -0.001263 -0.000700 -0.000534 -0.005140 0.002324 10H 1px -0.000022 0.001466 0.000537 0.000081 0.008960 -0.004121 10H 1py 0.000086 -0.000407 -0.000053 -0.000040 -0.001892 0.000673 11H 1s 0.036502 -0.020578 -0.028552 -0.028975 0.000593 -0.003054 11H 2s 0.054192 -0.025744 -0.043577 -0.036943 -0.016088 -0.011427 11H 3s 0.240886 -0.096068 -0.178427 -0.221232 0.391088 -0.035337 11H 1pz -0.004733 0.001975 0.003302 0.004429 -0.004667 0.000420 11H 1px -0.003375 0.001270 0.002471 0.003280 -0.005752 -0.000451 11H 1py -0.000458 0.000325 0.000470 -0.000050 0.005775 -0.000205 12H 1s -0.030258 0.016709 0.023684 0.023553 0.004713 -0.003414 12H 2s -0.044894 0.026954 0.037653 0.034403 -0.012536 -0.011091 12H 3s -0.170159 0.145152 0.168305 0.140206 0.386352 -0.050110 12H 1pz 0.001160 -0.000619 -0.000694 -0.001240 0.003085 -0.000021 12H 1px 0.001700 -0.001599 -0.001777 -0.001660 -0.003565 -0.000461 12H 1py 0.002940 -0.002770 -0.002749 -0.002670 -0.008721 0.000555 13H 1s 0.005935 0.010275 -0.007875 0.008388 0.002609 0.005737 13H 2s 0.010642 0.015057 -0.013284 0.013202 -0.021538 0.030760 13H 3s 0.087827 0.048395 -0.069278 0.048187 0.333481 0.072740 13H 1pz -0.001270 -0.000506 0.000704 -0.000479 -0.006663 0.000902 13H 1px 0.001195 0.000388 -0.000882 0.000435 0.006775 -0.000891 13H 1py 0.001059 0.000654 -0.000768 0.000796 0.002829 -0.000716 14H 1s 0.015051 0.026933 -0.020508 0.022089 0.003680 -0.003354 14H 2s 0.023407 0.041298 -0.032188 0.034334 -0.024609 -0.027356 14H 3s 0.145113 0.148852 -0.159568 0.130104 0.388230 0.058357 14H 1pz -0.001525 -0.001404 0.001370 -0.001239 -0.005591 -0.000874 14H 1px -0.002835 -0.002447 0.002853 -0.002312 -0.009233 -0.003010 14H 1py 0.000582 0.001108 -0.000612 0.001253 -0.002606 -0.000876 15H 1s -0.021409 -0.037670 0.028483 -0.031357 0.001634 -0.001307 15H 2s -0.026766 -0.054471 0.043348 -0.038462 -0.017118 -0.012037 15H 3s -0.105560 -0.244419 0.168937 -0.238423 0.404286 0.050346 15H 1pz -0.000133 -0.000653 0.000204 -0.001256 0.007585 0.001591 15H 1px 0.000938 0.002261 -0.001616 0.002115 -0.001153 -0.000823 15H 1py -0.002304 -0.005572 0.003589 -0.005552 0.006194 0.000866 16H 1s -0.001171 -0.001439 -0.000540 -0.000688 0.020412 -0.029082 16H 2s -0.002802 -0.003626 -0.007145 -0.002448 0.049043 -0.065699 16H 3s 0.016676 0.025178 -0.006677 -0.002293 0.182717 -0.344462 16H 1pz -0.000854 -0.000952 -0.000270 0.000533 -0.013436 0.019615 16H 1px -0.000679 -0.000110 0.000141 0.000141 -0.000856 0.000741 16H 1py 0.000060 -0.000705 -0.000321 0.000027 -0.004750 0.007154 17H 1s 0.001670 -0.000596 -0.001001 -0.000603 0.020148 -0.028957 17H 2s 0.002256 -0.000408 -0.009710 -0.001926 0.048438 -0.061492 17H 3s -0.031212 0.000251 -0.026303 0.000914 0.181547 -0.354980 17H 1pz -0.001254 -0.000274 -0.000156 -0.000177 0.010024 -0.014462 17H 1px -0.000166 0.000188 0.000301 -0.000181 0.007744 -0.012089 17H 1py 0.000519 -0.000153 -0.000127 0.000186 -0.006945 0.010800 18H 1s -0.001622 0.000556 -0.001059 -0.000607 0.019985 0.028949 18H 2s -0.001606 0.000422 -0.009972 -0.001882 0.048406 0.062108 18H 3s 0.032205 0.000774 -0.027746 0.001291 0.178815 0.353178 18H 1pz -0.001265 -0.000280 0.000151 0.000182 -0.010103 -0.014696 18H 1px -0.000134 0.000204 -0.000325 0.000184 -0.007671 -0.012050 18H 1py 0.000488 -0.000123 0.000122 -0.000162 0.006574 0.010320 19H 1s 0.001187 0.001444 -0.000477 -0.000692 0.020275 0.029134 19H 2s 0.003421 0.003517 -0.006634 -0.002328 0.048925 0.066113 19H 3s -0.015654 -0.025683 -0.004822 -0.002456 0.181290 0.345100 19H 1pz -0.000866 -0.000943 0.000238 -0.000544 0.013226 0.019481 19H 1px -0.000640 -0.000121 -0.000119 -0.000132 0.000756 0.000598 19H 1py 0.000038 -0.000754 0.000334 -0.000033 0.005020 0.007615 20H 1s 0.021129 0.037482 0.028690 -0.031355 0.001630 0.001359 20H 2s 0.026265 0.054323 0.043716 -0.038422 -0.017183 0.012110 20H 3s 0.104809 0.242628 0.169682 -0.238669 0.402959 -0.047066 20H 1pz -0.000146 -0.000640 -0.000197 0.001266 -0.007575 0.001541 20H 1px 0.000939 0.002281 0.001646 -0.002154 0.001220 -0.000834 20H 1py -0.002279 -0.005507 -0.003581 0.005541 -0.006174 0.000819 21H 1s -0.014977 -0.027072 -0.020851 0.022305 0.003655 0.003362 21H 2s -0.023373 -0.041500 -0.032820 0.034615 -0.024544 0.026945 21H 3s -0.143366 -0.150112 -0.162248 0.131156 0.387540 -0.055002 21H 1pz -0.001522 -0.001433 -0.001412 0.001267 0.005632 -0.000833 21H 1px -0.002791 -0.002468 -0.002893 0.002330 0.009172 -0.002916 21H 1py 0.000585 0.001114 0.000629 -0.001265 0.002628 -0.000860 22H 1s -0.005702 -0.009963 -0.007726 0.008167 0.002618 -0.005736 22H 2s -0.010308 -0.014558 -0.013077 0.012832 -0.021214 -0.030895 22H 3s -0.085571 -0.046632 -0.068739 0.046473 0.332662 -0.071526 22H 1pz -0.001230 -0.000483 -0.000693 0.000454 0.006576 0.000936 22H 1px 0.001171 0.000378 0.000883 -0.000421 -0.006773 -0.000926 22H 1py 0.001040 0.000636 0.000771 -0.000777 -0.002858 -0.000741 23H 1s 0.030185 -0.016794 0.024376 0.024028 0.004645 0.003378 23H 2s 0.044707 -0.026977 0.038566 0.035084 -0.012642 0.010495 23H 3s 0.169283 -0.146134 0.172546 0.143148 0.386475 0.053156 23H 1pz 0.001167 -0.000615 0.000725 0.001269 -0.003133 -0.000059 23H 1px 0.001666 -0.001579 0.001795 0.001672 0.003431 -0.000431 23H 1py 0.002952 -0.002815 0.002854 0.002752 0.008737 0.000656 24H 1s -0.035800 0.020327 -0.028885 -0.029056 0.000682 0.003148 24H 2s -0.053273 0.025453 -0.044117 -0.037255 -0.015852 0.011548 24H 3s -0.237300 0.093479 -0.181471 -0.221426 0.390201 0.039689 24H 1pz -0.004611 0.001920 -0.003318 -0.004388 0.004640 0.000466 24H 1px -0.003359 0.001251 -0.002543 -0.003314 0.005832 -0.000391 24H 1py -0.000483 0.000350 -0.000494 -0.000000 -0.005672 -0.000259 25H 1s 0.005558 -0.003308 0.004565 0.004531 0.002293 -0.004975 25H 2s 0.007515 -0.004908 0.006972 0.007292 -0.028031 -0.043359 25H 3s 0.011333 -0.077119 0.036190 0.018380 0.341559 0.060023 25H 1pz 0.000326 -0.001242 0.000674 0.000497 0.005181 0.002396 25H 1px 0.000032 0.001444 -0.000498 -0.000048 -0.008905 -0.004199 25H 1py 0.000062 -0.000384 0.000034 0.000023 0.001781 0.000654 26O 1s 0.001447 0.002637 -0.000008 -0.000541 0.010445 -0.007835 26O 2s 0.003584 0.006553 0.000014 -0.001347 0.025790 -0.019395 26O 3s -0.007208 -0.013444 -0.000473 0.002589 -0.048190 0.036649 26O 4s -0.001422 -0.000600 0.002352 0.001878 -0.049091 0.029579 26O 5s -0.036769 -0.090718 -0.012134 0.012728 -0.056935 0.129526 26O 1pz -0.077274 0.027715 0.061019 0.061255 -0.001803 -0.003337 26O 1px -0.044300 0.019880 0.036396 0.036765 -0.002888 0.028457 26O 1py 0.111071 -0.072409 -0.099192 -0.099785 -0.013241 0.005049 26O 2pz -0.064896 0.022307 0.049781 0.052177 -0.010059 -0.004708 26O 2px -0.038167 0.016318 0.030802 0.030298 -0.000019 0.016142 26O 2py 0.093976 -0.062233 -0.082182 -0.085830 -0.015921 0.000396 26O 3pz -0.099626 0.025527 0.080437 0.067833 0.042138 0.038474 26O 3px -0.059426 0.027572 0.049340 0.045316 -0.067854 0.006447 26O 3py 0.122152 -0.087383 -0.123428 -0.112632 -0.012575 0.022105 26O 1dz2 -0.000714 0.000459 0.000391 0.000527 -0.000149 0.000232 26O 1dxz -0.001364 0.000984 0.001051 0.000971 0.000118 0.000268 26O 1dyz 0.000089 0.000374 0.000177 0.000095 -0.000194 -0.000264 26O 1dx2y2 -0.001958 0.001136 0.001360 0.001325 0.000093 -0.000562 26O 1dxy 0.001701 -0.000669 -0.001233 -0.001112 -0.000152 -0.000394 26O 2dz2 -0.005905 0.001718 0.002810 0.003188 -0.002907 0.001948 26O 2dxz -0.005882 0.003802 0.003978 0.004478 -0.000384 -0.002574 26O 2dyz -0.000251 -0.002733 -0.000125 -0.000141 -0.001924 0.000660 26O 2dx2y2 -0.008220 0.004426 0.005350 0.005960 0.003946 -0.000254 26O 2dxy 0.005168 -0.003425 -0.004172 -0.003879 0.001463 -0.002406 26O 1f0 -0.000659 0.000479 0.000225 0.000530 -0.000025 -0.000009 26O 1f+1 0.000029 -0.000003 -0.000067 -0.000036 0.000213 -0.000113 26O 1f-1 0.000118 -0.000361 -0.000155 -0.000179 -0.000040 -0.000025 26O 1f+2 0.000275 -0.000117 -0.000339 -0.000218 -0.000055 0.000042 26O 1f-2 -0.000008 -0.000271 -0.000158 -0.000100 0.000106 0.000006 26O 1f+3 -0.001085 0.000464 0.000678 0.000793 0.000156 0.000026 26O 1f-3 0.000477 -0.000087 -0.000205 -0.000251 0.000084 -0.000115 27O 1s 0.002511 -0.001474 -0.000237 -0.000557 0.009818 -0.005846 27O 2s 0.006243 -0.003637 -0.000571 -0.001346 0.024229 -0.014484 27O 3s -0.012859 0.006988 0.000938 0.001999 -0.045144 0.027177 27O 4s -0.000395 0.003115 0.001674 0.005373 -0.048147 0.022755 27O 5s -0.081451 0.041606 -0.001615 -0.000177 -0.027007 0.106618 27O 1pz -0.070719 -0.109342 0.095505 -0.102304 -0.010065 -0.005466 27O 1px -0.019129 -0.020898 0.020123 -0.021675 -0.004118 0.027054 27O 1py -0.033089 -0.086069 0.065031 -0.072942 0.007325 -0.004238 27O 2pz -0.060586 -0.092625 0.079304 -0.087370 -0.014271 -0.005591 27O 2px -0.016861 -0.018175 0.017752 -0.019644 -0.003265 0.010659 27O 2py -0.027642 -0.072153 0.053153 -0.061748 0.012652 0.000608 27O 3pz -0.087571 -0.124679 0.118940 -0.118122 0.021224 0.029631 27O 3px -0.023328 -0.018612 0.020707 -0.017815 -0.078628 0.014705 27O 3py -0.027442 -0.111467 0.086442 -0.085273 -0.014058 -0.042696 27O 1dz2 -0.000333 -0.000152 0.000015 -0.000144 0.000171 0.000368 27O 1dxz -0.001214 -0.002440 0.001672 -0.001743 0.000022 0.000155 27O 1dyz 0.000220 0.000946 -0.000495 0.000568 0.000230 0.000356 27O 1dx2y2 -0.000523 -0.000940 0.000586 -0.000646 -0.000107 -0.000347 27O 1dxy -0.001080 -0.001301 0.001076 -0.001039 0.000072 0.000256 27O 2dz2 -0.001201 -0.003822 0.001421 -0.001964 -0.002070 0.000457 27O 2dxz -0.004989 -0.009059 0.006056 -0.006728 -0.002226 -0.001808 27O 2dyz 0.004181 0.002194 -0.001821 0.002171 0.001914 -0.001396 27O 2dx2y2 -0.002428 -0.005939 0.003091 -0.004041 0.004585 -0.000603 27O 2dxy -0.002144 -0.004664 0.003300 -0.003621 -0.000753 0.002496 27O 1f0 -0.000143 -0.000759 0.000339 -0.000491 -0.000062 -0.000038 27O 1f+1 -0.000030 -0.000281 0.000103 -0.000151 0.000044 -0.000015 27O 1f-1 0.000125 0.000238 0.000129 0.000140 0.000080 0.000015 27O 1f+2 0.000523 0.000656 -0.000484 0.000564 0.000188 0.000016 27O 1f-2 -0.000005 -0.000306 0.000222 -0.000189 -0.000171 -0.000012 27O 1f+3 -0.000323 -0.000314 0.000238 -0.000312 0.000174 0.000032 27O 1f-3 -0.000425 -0.000425 0.000203 -0.000369 -0.000023 0.000053 28O 1s 0.001519 0.002591 -0.000021 -0.000523 0.009733 0.005984 28O 2s 0.003756 0.006404 -0.000047 -0.001286 0.023986 0.014779 28O 3s -0.007366 -0.012597 -0.000017 0.002263 -0.044276 -0.026813 28O 4s -0.002720 -0.003809 0.000780 0.003722 -0.052199 -0.027914 28O 5s -0.041965 -0.071833 -0.001851 -0.002400 0.009876 -0.119856 28O 1pz -0.073301 0.024837 0.057307 0.058109 -0.005902 -0.012249 28O 1px -0.043346 0.022418 0.036668 0.037323 -0.000158 0.026477 28O 1py 0.104936 -0.068649 -0.094777 -0.094439 -0.015652 -0.004199 28O 2pz -0.062064 0.021084 0.047554 0.049855 -0.009186 0.002014 28O 2px -0.036523 0.019461 0.030401 0.032162 -0.000721 0.011838 28O 2py 0.089259 -0.058721 -0.078841 -0.081171 -0.016825 -0.000363 28O 3pz -0.096665 0.016835 0.073431 0.071095 -0.045685 -0.041883 28O 3px -0.054245 0.022177 0.046836 0.037347 0.078783 -0.009316 28O 3py 0.121877 -0.090957 -0.121352 -0.109917 -0.008450 -0.034025 28O 1dz2 -0.001855 0.001317 0.001356 0.001366 -0.000117 0.000121 28O 1dxz 0.000342 -0.000360 -0.000398 -0.000333 0.000180 -0.000391 28O 1dyz 0.001684 -0.000510 -0.001047 -0.001011 -0.000381 0.000376 28O 1dx2y2 0.000166 -0.000072 -0.000244 -0.000095 -0.000178 0.000381 28O 1dxy -0.001890 0.001055 0.001407 0.001330 -0.000029 0.000125 28O 2dz2 -0.008065 0.003824 0.004569 0.005055 0.000043 0.001294 28O 2dxz -0.000593 -0.000327 -0.000369 0.000139 -0.005410 -0.001212 28O 2dyz 0.004599 -0.005310 -0.003636 -0.003652 -0.001744 -0.000160 28O 2dx2y2 -0.001380 0.000319 -0.000141 -0.000001 0.003480 -0.000888 28O 2dxy -0.006664 0.002140 0.004599 0.004571 -0.000496 -0.001967 28O 1f0 -0.000028 -0.000060 -0.000180 -0.000048 0.000142 -0.000055 28O 1f+1 -0.000595 0.000525 0.000317 0.000485 0.000109 0.000036 28O 1f-1 -0.000443 -0.000160 0.000138 0.000204 0.000041 -0.000043 28O 1f+2 -0.000148 0.000170 -0.000083 0.000123 -0.000177 0.000055 28O 1f-2 0.000659 -0.000374 -0.000481 -0.000486 -0.000219 -0.000011 28O 1f+3 0.000030 -0.000035 0.000056 -0.000021 -0.000134 0.000026 28O 1f-3 0.000703 -0.000279 -0.000348 -0.000478 0.000029 0.000004 29O 1s -0.000041 -0.000093 -0.000598 -0.000667 0.016738 -0.022990 29O 2s -0.000122 -0.000164 -0.001525 -0.001667 0.041890 -0.057107 29O 3s 0.000497 -0.000671 0.003285 0.003367 -0.085854 0.111648 29O 4s -0.000924 0.004605 -0.000739 0.001864 -0.045199 0.091396 29O 5s 0.005047 -0.010693 0.028037 0.012914 -0.357087 0.423342 29O 1pz 0.007050 0.004005 0.000540 -0.000373 0.012912 -0.021545 29O 1px 0.002984 0.001303 0.001825 -0.000334 -0.023741 0.044304 29O 1py -0.004354 0.008610 -0.001723 -0.001486 0.044571 -0.066145 29O 2pz 0.002786 0.000983 -0.000407 -0.000467 0.012155 -0.015906 29O 2px 0.000605 0.001718 0.001083 0.000609 -0.023626 0.031134 29O 2py -0.002881 0.005706 -0.001188 -0.001585 0.036499 -0.049133 29O 3pz 0.018900 0.011353 0.002865 -0.000119 0.014257 -0.049038 29O 3px 0.011675 -0.000618 0.010110 -0.004069 -0.024988 0.109495 29O 3py -0.008252 0.014801 -0.011334 -0.000914 0.057936 -0.098424 29O 1dz2 -0.000203 -0.000094 -0.000032 -0.000021 0.000847 -0.001060 29O 1dxz 0.000234 0.000103 -0.000070 -0.000010 0.000703 -0.000811 29O 1dyz -0.000005 -0.000117 0.000014 0.000002 -0.000119 0.000198 29O 1dx2y2 0.000109 0.000050 0.000074 -0.000016 -0.000289 0.000125 29O 1dxy -0.000126 0.000265 0.000075 -0.000008 -0.000057 -0.000125 29O 2dz2 -0.000324 0.000187 -0.000198 -0.000079 0.003691 -0.006369 29O 2dxz 0.000393 0.000220 0.000104 -0.000054 0.002626 -0.004696 29O 2dyz -0.000220 -0.000217 0.000265 -0.000014 -0.000455 0.000922 29O 2dx2y2 -0.000011 0.000214 -0.000710 0.000058 0.000251 -0.000185 29O 2dxy -0.000477 0.000463 -0.000538 0.000068 -0.000929 0.002185 29O 1f0 0.000060 -0.000000 -0.000097 -0.000012 -0.000081 0.000156 29O 1f+1 0.000070 0.000072 0.000074 -0.000013 0.000057 -0.000062 29O 1f-1 -0.000035 0.000064 -0.000081 -0.000004 0.000002 0.000169 29O 1f+2 0.000004 -0.000002 0.000047 -0.000003 0.000018 0.000037 29O 1f-2 -0.000036 0.000021 -0.000081 -0.000016 -0.000023 0.000207 29O 1f+3 0.000059 -0.000099 0.000005 0.000007 -0.000029 0.000133 29O 1f-3 0.000010 -0.000034 0.000017 0.000004 -0.000088 0.000159 30O 1s 0.002674 -0.001446 -0.000271 -0.000561 0.010243 0.007853 30O 2s 0.006627 -0.003558 -0.000689 -0.001386 0.025256 0.019364 30O 3s -0.013347 0.006660 0.001572 0.002448 -0.046760 -0.035176 30O 4s -0.002024 0.003383 -0.000253 0.003281 -0.052555 -0.037817 30O 5s -0.080504 0.050610 0.011120 0.013326 -0.018467 -0.118602 30O 1pz -0.068722 -0.105656 0.092286 -0.099608 -0.010720 -0.012339 30O 1px -0.013875 -0.017271 0.016251 -0.017694 -0.001098 0.024731 30O 1py -0.029642 -0.082098 0.062132 -0.069198 0.007644 0.008025 30O 2pz -0.059465 -0.090632 0.076680 -0.086646 -0.012247 -0.003817 30O 2px -0.011597 -0.014726 0.014120 -0.014373 -0.003797 0.014268 30O 2py -0.024419 -0.068527 0.051277 -0.058159 0.011269 -0.002225 30O 3pz -0.086498 -0.125046 0.117828 -0.114205 -0.035005 -0.026039 30O 3px -0.024745 -0.013846 0.022520 -0.023164 0.072219 -0.018410 30O 3py -0.026068 -0.104927 0.082598 -0.081794 0.024662 0.043703 30O 1dz2 -0.001423 -0.002319 0.001581 -0.001724 0.000024 -0.000421 30O 1dxz 0.000656 0.001245 -0.000967 0.000910 0.000117 -0.000347 30O 1dyz -0.000022 0.000896 -0.000389 0.000470 0.000354 -0.000397 30O 1dx2y2 -0.000547 -0.000618 0.000387 -0.000482 0.000096 0.000375 30O 1dxy 0.000695 0.001208 -0.000938 0.000873 0.000121 0.000159 30O 2dz2 -0.004357 -0.010285 0.005828 -0.006768 -0.000905 0.001319 30O 2dxz 0.001064 0.002543 -0.002717 0.002570 -0.003463 -0.001335 30O 2dyz 0.003438 0.001489 -0.001357 0.001495 -0.000509 -0.000842 30O 2dx2y2 -0.002118 -0.003767 0.001902 -0.002416 0.002240 -0.001367 30O 2dxy 0.003431 0.003190 -0.002619 0.002945 0.004472 0.002624 30O 1f0 0.000296 0.000059 -0.000089 0.000152 0.000101 0.000018 30O 1f+1 -0.000457 -0.001030 0.000507 -0.000757 0.000033 0.000059 30O 1f-1 0.000018 -0.000239 0.000343 -0.000177 -0.000040 0.000027 30O 1f+2 0.000431 0.000132 -0.000246 0.000240 -0.000093 -0.000003 30O 1f-2 0.000136 0.000254 -0.000040 0.000182 -0.000080 -0.000053 30O 1f+3 0.000344 0.000566 -0.000281 0.000451 0.000003 0.000018 30O 1f-3 -0.000162 -0.000365 0.000111 -0.000226 -0.000285 -0.000070 31O 1s -0.002642 0.001423 -0.000308 -0.000575 0.010282 -0.007808 31O 2s -0.006550 0.003500 -0.000781 -0.001419 0.025351 -0.019251 31O 3s 0.013198 -0.006558 0.001752 0.002523 -0.046916 0.034949 31O 4s 0.001940 -0.003264 -0.000214 0.003256 -0.052794 0.037645 31O 5s 0.079500 -0.049993 0.012369 0.013839 -0.019708 0.118725 31O 1pz -0.067761 -0.105322 -0.093104 0.099681 0.010790 -0.012286 31O 1px -0.013718 -0.017327 -0.016502 0.017773 0.000919 0.024823 31O 1py -0.029257 -0.081691 -0.062427 0.069338 -0.007749 0.007964 31O 2pz -0.058685 -0.090330 -0.077359 0.086733 0.012178 -0.003674 31O 2px -0.011428 -0.014786 -0.014316 0.014438 0.003712 0.014344 31O 2py -0.024100 -0.068209 -0.051524 0.058298 -0.011269 -0.002358 31O 3pz -0.085333 -0.124631 -0.118997 0.114176 0.035240 -0.025914 31O 3px -0.024381 -0.013948 -0.023037 0.023184 -0.071732 -0.019100 31O 3py -0.025376 -0.104505 -0.082849 0.082026 -0.024813 0.043814 31O 1dz2 0.001410 0.002313 0.001598 -0.001729 0.000021 0.000424 31O 1dxz -0.000648 -0.001241 -0.000974 0.000912 0.000111 0.000354 31O 1dyz 0.000019 -0.000892 -0.000388 0.000474 0.000350 0.000401 31O 1dx2y2 0.000541 0.000617 0.000392 -0.000482 0.000098 -0.000378 31O 1dxy -0.000685 -0.001207 -0.000947 0.000877 0.000125 -0.000159 31O 2dz2 0.004297 0.010245 0.005864 -0.006776 -0.000879 -0.001334 31O 2dxz -0.001031 -0.002537 -0.002733 0.002576 -0.003460 0.001319 31O 2dyz -0.003432 -0.001491 -0.001410 0.001494 -0.000498 0.000837 31O 2dx2y2 0.002083 0.003759 0.001931 -0.002418 0.002234 0.001369 31O 2dxy -0.003424 -0.003190 -0.002667 0.002957 0.004450 -0.002600 31O 1f0 0.000297 0.000059 0.000093 -0.000151 -0.000101 0.000018 31O 1f+1 -0.000454 -0.001028 -0.000513 0.000760 -0.000035 0.000059 31O 1f-1 0.000021 -0.000237 -0.000342 0.000177 0.000039 0.000027 31O 1f+2 0.000429 0.000130 0.000251 -0.000238 0.000092 -0.000002 31O 1f-2 0.000137 0.000252 0.000042 -0.000182 0.000079 -0.000052 31O 1f+3 0.000340 0.000565 0.000285 -0.000451 -0.000001 0.000017 31O 1f-3 -0.000162 -0.000365 -0.000112 0.000227 0.000283 -0.000068 32O 1s 0.000084 0.000079 -0.000592 -0.000668 0.016622 0.023023 32O 2s 0.000232 0.000131 -0.001509 -0.001670 0.041602 0.057190 32O 3s -0.000734 0.000726 0.003250 0.003369 -0.085299 -0.111808 32O 4s 0.000998 -0.004514 -0.000710 0.001908 -0.044666 -0.091474 32O 5s -0.007180 0.010754 0.027627 0.012728 -0.355274 -0.424263 32O 1pz 0.007077 0.004020 -0.000769 0.000361 -0.011779 -0.020046 32O 1px 0.002998 0.001327 -0.001878 0.000361 0.023830 0.044799 32O 1py -0.004526 0.008630 0.001640 0.001427 -0.044349 -0.066364 32O 2pz 0.002791 0.000967 0.000277 0.000416 -0.011240 -0.014786 32O 2px 0.000642 0.001690 -0.001108 -0.000604 0.023774 0.031613 32O 2py -0.003129 0.005704 0.001143 0.001534 -0.036403 -0.049454 32O 3pz 0.018841 0.011634 -0.004212 0.000176 -0.012690 -0.046710 32O 3px 0.011955 -0.000323 -0.010451 0.004186 0.024772 0.110225 32O 3py -0.008745 0.014833 0.011009 0.000754 -0.057558 -0.098642 32O 1dz2 0.000206 0.000092 -0.000027 -0.000020 0.000857 0.001084 32O 1dxz -0.000230 -0.000104 -0.000077 -0.000009 0.000691 0.000803 32O 1dyz 0.000007 0.000114 0.000021 0.000001 -0.000089 -0.000157 32O 1dx2y2 -0.000110 -0.000051 0.000070 -0.000017 -0.000287 -0.000129 32O 1dxy 0.000121 -0.000267 0.000079 -0.000007 -0.000048 0.000138 32O 2dz2 0.000287 -0.000184 -0.000217 -0.000082 0.003675 0.006419 32O 2dxz -0.000429 -0.000223 0.000120 -0.000055 0.002586 0.004663 32O 2dyz 0.000206 0.000224 0.000221 -0.000025 -0.000263 -0.000593 32O 2dx2y2 0.000034 -0.000209 -0.000696 0.000064 0.000259 0.000211 32O 2dxy 0.000514 -0.000453 -0.000545 0.000074 -0.000821 -0.002008 32O 1f0 0.000057 0.000000 0.000088 0.000012 0.000076 0.000137 32O 1f+1 0.000072 0.000074 -0.000083 0.000011 -0.000060 -0.000073 32O 1f-1 -0.000039 0.000065 0.000081 0.000004 -0.000001 0.000175 32O 1f+2 0.000009 -0.000005 -0.000049 0.000003 -0.000014 0.000034 32O 1f-2 -0.000040 0.000024 0.000080 0.000017 0.000018 0.000195 32O 1f+3 0.000064 -0.000096 -0.000004 -0.000005 0.000029 0.000141 32O 1f-3 0.000011 -0.000035 -0.000016 -0.000004 0.000089 0.000165 33O 1s -0.001518 -0.002597 -0.000039 -0.000516 0.009748 -0.005901 33O 2s -0.003755 -0.006417 -0.000091 -0.001269 0.024022 -0.014574 33O 3s 0.007382 0.012622 0.000067 0.002249 -0.044328 0.026420 33O 4s 0.002598 0.003872 0.000812 0.003597 -0.052347 0.027586 33O 5s 0.042617 0.071256 -0.000960 -0.002246 0.009727 0.119089 33O 1pz -0.072625 0.024764 -0.058506 -0.058720 0.006144 -0.012267 33O 1px -0.042598 0.022177 -0.037153 -0.037496 0.000203 0.026428 33O 1py 0.103041 -0.068078 0.096055 0.095048 0.015467 -0.004102 33O 2pz -0.061511 0.021045 -0.048563 -0.050444 0.009310 0.002076 33O 2px -0.035936 0.019270 -0.030844 -0.032308 0.000837 0.011730 33O 2py 0.087661 -0.058229 0.079938 0.081659 0.016637 -0.000206 33O 3pz -0.095625 0.016385 -0.074729 -0.071515 0.046016 -0.041997 33O 3px -0.053492 0.022244 -0.047692 -0.037655 -0.078586 -0.009614 33O 3py 0.119513 -0.090334 0.122813 0.110774 0.008494 -0.034192 33O 1dz2 0.001834 -0.001312 0.001385 0.001383 -0.000117 -0.000121 33O 1dxz -0.000338 0.000359 -0.000406 -0.000339 0.000182 0.000391 33O 1dyz -0.001662 0.000505 -0.001066 -0.001015 -0.000377 -0.000380 33O 1dx2y2 -0.000163 0.000073 -0.000248 -0.000097 -0.000177 -0.000380 33O 1dxy 0.001864 -0.001048 0.001431 0.001341 -0.000032 -0.000124 33O 2dz2 0.007985 -0.003806 0.004684 0.005115 0.000031 -0.001310 33O 2dxz 0.000553 0.000364 -0.000391 0.000115 -0.005403 0.001182 33O 2dyz -0.004520 0.005282 -0.003682 -0.003676 -0.001718 0.000144 33O 2dx2y2 0.001389 -0.000329 -0.000118 0.000003 0.003470 0.000919 33O 2dxy 0.006563 -0.002103 0.004670 0.004596 -0.000537 0.001952 33O 1f0 -0.000032 -0.000059 0.000178 0.000048 -0.000140 -0.000056 33O 1f+1 -0.000592 0.000526 -0.000329 -0.000493 -0.000106 0.000034 33O 1f-1 -0.000439 -0.000162 -0.000144 -0.000205 -0.000039 -0.000044 33O 1f+2 -0.000148 0.000169 0.000082 -0.000124 0.000176 0.000057 33O 1f-2 0.000648 -0.000370 0.000486 0.000488 0.000216 -0.000011 33O 1f+3 0.000032 -0.000036 -0.000055 0.000022 0.000134 0.000026 33O 1f-3 0.000696 -0.000276 0.000356 0.000482 -0.000031 0.000003 34O 1s -0.002478 0.001450 -0.000274 -0.000570 0.009779 0.005890 34O 2s -0.006163 0.003576 -0.000663 -0.001377 0.024133 0.014593 34O 3s 0.012710 -0.006879 0.001123 0.002073 -0.044982 -0.027389 34O 4s 0.000286 -0.002990 0.001713 0.005326 -0.047907 -0.022992 34O 5s 0.080570 -0.041088 -0.000803 0.000297 -0.026459 -0.106017 34O 1pz -0.069841 -0.109121 -0.096483 0.102515 0.010097 -0.005301 34O 1px -0.018891 -0.020903 -0.020397 0.021700 0.003980 0.027033 34O 1py -0.032715 -0.085731 -0.065419 0.073135 -0.007377 -0.004273 34O 2pz -0.059842 -0.092434 -0.080117 0.087549 0.014250 -0.005406 34O 2px -0.016679 -0.018150 -0.018028 0.019662 0.003159 0.010654 34O 2py -0.027342 -0.071878 -0.053474 0.061922 -0.012712 0.000525 34O 3pz -0.086518 -0.124366 -0.120219 0.118229 -0.021196 0.029421 34O 3px -0.023359 -0.018679 -0.021214 0.017760 0.078812 0.015445 34O 3py -0.026800 -0.110989 -0.086629 0.085529 0.014183 -0.042711 34O 1dz2 0.000330 0.000151 0.000018 -0.000142 0.000173 -0.000366 34O 1dxz 0.001201 0.002432 0.001685 -0.001748 0.000025 -0.000153 34O 1dyz -0.000219 -0.000945 -0.000498 0.000573 0.000231 -0.000355 34O 1dx2y2 0.000520 0.000938 0.000595 -0.000648 -0.000111 0.000341 34O 1dxy 0.001065 0.001298 0.001087 -0.001039 0.000072 -0.000254 34O 2dz2 0.001198 0.003816 0.001446 -0.001971 -0.002072 -0.000463 34O 2dxz 0.004944 0.009038 0.006116 -0.006746 -0.002226 0.001808 34O 2dyz -0.004184 -0.002213 -0.001895 0.002188 0.001902 0.001403 34O 2dx2y2 0.002393 0.005935 0.003108 -0.004067 0.004594 0.000622 34O 2dxy 0.002105 0.004658 0.003340 -0.003632 -0.000726 -0.002514 34O 1f0 -0.000140 -0.000759 -0.000341 0.000494 0.000061 -0.000038 34O 1f+1 -0.000029 -0.000281 -0.000103 0.000153 -0.000045 -0.000014 34O 1f-1 0.000128 0.000236 -0.000128 -0.000140 -0.000080 0.000015 34O 1f+2 0.000520 0.000653 0.000490 -0.000564 -0.000187 0.000015 34O 1f-2 -0.000001 -0.000306 -0.000223 0.000191 0.000170 -0.000010 34O 1f+3 -0.000320 -0.000313 -0.000243 0.000313 -0.000175 0.000032 34O 1f-3 -0.000422 -0.000425 -0.000210 0.000369 0.000022 0.000054 35O 1s -0.001444 -0.002646 -0.000016 -0.000533 0.010401 0.007902 35O 2s -0.003579 -0.006577 -0.000007 -0.001328 0.025682 0.019561 35O 3s 0.007213 0.013483 -0.000432 0.002569 -0.047969 -0.036956 35O 4s 0.001321 0.000683 0.002333 0.001774 -0.048985 -0.029859 35O 5s 0.037302 0.090379 -0.011022 0.012536 -0.056657 -0.130743 35O 1pz -0.076563 0.027647 -0.062272 -0.061909 0.001942 -0.003210 35O 1px -0.043781 0.019793 -0.037073 -0.037152 0.002887 0.028427 35O 1py 0.109138 -0.071861 0.100625 0.100494 0.012916 0.005021 35O 2pz -0.064374 0.022243 -0.050851 -0.052779 0.010221 -0.004561 35O 2px -0.037731 0.016250 -0.031327 -0.030663 -0.000045 0.016018 35O 2py 0.092327 -0.061775 0.083410 0.086389 0.015613 0.000326 35O 3pz -0.098326 0.025479 -0.081807 -0.068420 -0.042600 0.038571 35O 3px -0.058302 0.027016 -0.049599 -0.045595 0.067714 0.006509 35O 3py 0.120012 -0.086826 0.125193 0.113522 0.011886 0.022268 35O 1dz2 0.000708 -0.000457 0.000404 0.000534 -0.000150 -0.000235 35O 1dxz 0.001347 -0.000982 0.001074 0.000984 0.000120 -0.000269 35O 1dyz -0.000089 -0.000374 0.000179 0.000099 -0.000196 0.000264 35O 1dx2y2 0.001931 -0.001126 0.001382 0.001334 0.000090 0.000564 35O 1dxy -0.001678 0.000663 -0.001254 -0.001119 -0.000149 0.000393 35O 2dz2 0.005846 -0.001699 0.002871 0.003230 -0.002878 -0.001946 35O 2dxz 0.005845 -0.003795 0.004089 0.004543 -0.000427 0.002576 35O 2dyz 0.000254 0.002742 -0.000116 -0.000145 -0.001921 -0.000678 35O 2dx2y2 0.008150 -0.004425 0.005500 0.006022 0.003901 0.000252 35O 2dxy -0.005062 0.003388 -0.004195 -0.003901 0.001439 0.002370 35O 1f0 -0.000656 0.000478 -0.000237 -0.000537 0.000028 -0.000008 35O 1f+1 0.000028 -0.000003 0.000067 0.000038 -0.000209 -0.000111 35O 1f-1 0.000115 -0.000360 0.000154 0.000179 0.000041 -0.000023 35O 1f+2 0.000271 -0.000116 0.000345 0.000221 0.000054 0.000042 35O 1f-2 -0.000008 -0.000272 0.000162 0.000104 -0.000107 0.000004 35O 1f+3 -0.001073 0.000460 -0.000692 -0.000799 -0.000152 0.000026 35O 1f-3 0.000470 -0.000084 0.000206 0.000251 -0.000082 -0.000111 126 127 128 129 130 131 0.04747 0.05436 0.05496 0.07264 0.10468 0.10726 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s 0.000813 0.000036 0.000264 -0.000005 0.000515 -0.000902 0Rh 2s -0.003043 0.000198 -0.000827 0.000023 -0.001902 0.004038 0Rh 3s 0.002838 0.000333 0.001021 -0.000012 0.001815 -0.002737 0Rh 4s 0.013245 -0.001022 0.003506 -0.000099 0.008292 -0.017929 0Rh 5s -0.010654 0.003510 -0.001303 0.000075 -0.006466 0.019592 0Rh 6s -0.021232 -0.008488 -0.011663 0.000097 -0.014473 0.010543 0Rh 7s -0.122198 0.010564 -0.036215 -0.013999 0.012191 -0.090749 0Rh 8s 0.317090 0.310903 0.418705 0.038430 -0.001401 1.063311 0Rh 1pz -0.002457 -0.003526 0.000765 -0.000051 -0.000178 0.000366 0Rh 1px 0.008611 -0.000969 0.000424 -0.000272 0.002226 0.002546 0Rh 1py 0.001459 -0.000832 -0.003689 -0.000136 0.000243 0.000064 0Rh 2pz 0.008355 0.012088 -0.002621 0.000172 0.000694 -0.001159 0Rh 2px -0.029410 0.003280 -0.001500 0.000924 -0.007628 -0.008802 0Rh 2py -0.005004 0.002858 0.012636 0.000481 -0.000848 -0.000251 0Rh 3pz -0.006497 -0.011129 0.002422 -0.000078 -0.002157 -0.000768 0Rh 3px 0.025276 -0.002272 0.002216 -0.000670 0.006926 0.009379 0Rh 3py 0.004703 -0.002732 -0.011429 -0.000707 0.001061 0.000794 0Rh 4pz -0.012953 -0.012387 0.002634 -0.000451 0.004611 0.008037 0Rh 4px 0.036826 -0.006085 -0.001490 -0.001611 0.008303 0.004461 0Rh 4py 0.004813 -0.002603 -0.013753 0.000522 -0.000095 -0.001813 0Rh 5pz 0.001314 -0.012101 0.003023 0.000521 -0.006828 -0.011360 0Rh 5px 0.009360 0.001668 0.007259 0.000309 0.006241 0.017976 0Rh 5py 0.004505 -0.003684 -0.010855 -0.001970 0.002140 0.003682 0Rh 6pz 0.057738 0.233708 -0.058732 -0.046576 0.088372 0.133925 0Rh 6px -0.120535 -0.017032 -0.112385 0.005713 -0.047637 -0.377115 0Rh 6py -0.084730 0.071656 0.201616 -0.058525 -0.022927 -0.043846 0Rh 1dz2 -0.002384 0.000591 -0.000714 -0.006011 -0.000032 -0.000758 0Rh 1dxz -0.003033 -0.002939 -0.000279 0.000190 -0.003065 0.000415 0Rh 1dyz -0.000816 -0.001580 -0.000127 -0.012957 -0.000068 0.000864 0Rh 1dx2y2 0.003869 -0.000325 0.001606 -0.002410 0.002143 -0.000362 0Rh 1dxy 0.000846 -0.000686 -0.003702 -0.005486 0.001203 0.001205 0Rh 2dz2 0.000094 -0.000322 -0.000007 0.000322 0.000134 0.000118 0Rh 2dxz 0.000092 0.000502 0.000035 -0.000098 -0.000078 -0.000078 0Rh 2dyz 0.000089 0.000052 -0.000322 0.000765 -0.000003 -0.000033 0Rh 2dx2y2 -0.000142 0.000145 -0.000336 0.000088 -0.000233 -0.000110 0Rh 2dxy -0.000158 0.000113 0.000540 0.000251 -0.000103 -0.000186 0Rh 3dz2 0.003623 0.000275 0.001229 0.008903 -0.000503 0.000866 0Rh 3dxz 0.004736 0.003005 0.000338 0.000075 0.005569 -0.000398 0Rh 3dyz 0.001010 0.002473 0.001522 0.018883 0.000148 -0.001319 0Rh 3dx2y2 -0.005917 -0.000029 -0.001357 0.003747 -0.002705 0.001034 0Rh 3dxy -0.000784 0.000729 0.004123 0.008296 -0.001632 -0.001331 0Rh 4dz2 0.004547 -0.004824 0.000809 0.012923 0.001673 0.002245 0Rh 4dxz 0.005469 0.010253 0.000827 -0.001442 0.003210 -0.001555 0Rh 4dyz 0.002259 0.002772 -0.004058 0.028770 -0.000417 -0.002123 0Rh 4dx2y2 -0.007240 0.002307 -0.006418 0.004706 -0.005998 -0.000685 0Rh 4dxy -0.003019 0.002295 0.011750 0.011313 -0.003064 -0.004058 0Rh 5dz2 0.002302 0.018129 0.006795 -0.000658 -0.006664 0.000187 0Rh 5dxz 0.002940 -0.016136 -0.000438 0.004155 0.017675 0.001870 0Rh 5dyz -0.001525 0.007402 0.026673 -0.006590 0.006906 0.005407 0Rh 5dx2y2 -0.003190 -0.008360 0.012448 0.000740 0.005431 0.006205 0Rh 5dxy 0.004963 -0.002484 -0.013209 0.001341 0.002204 0.007434 0Rh 1f0 0.000396 -0.000302 -0.000317 -0.000121 -0.000302 0.000237 0Rh 1f+1 -0.000372 -0.000985 0.000126 0.000220 0.000058 0.000246 0Rh 1f-1 -0.000099 -0.000600 -0.000472 -0.000184 -0.000062 -0.000121 0Rh 1f+2 -0.000575 0.001187 -0.000031 -0.000057 -0.000566 -0.001227 0Rh 1f-2 -0.000059 0.000090 -0.000868 0.000134 0.000219 -0.000208 0Rh 1f+3 -0.000419 -0.000385 0.000903 -0.000030 -0.000276 0.000178 0Rh 1f-3 -0.000078 -0.000248 -0.000933 -0.000122 -0.000320 -0.000350 1Rh 1s 0.000806 -0.000034 -0.000278 -0.000003 0.000497 0.000902 1Rh 2s -0.003027 -0.000202 0.000882 0.000019 -0.001828 -0.004037 1Rh 3s 0.002802 -0.000326 -0.001066 -0.000003 0.001755 0.002739 1Rh 4s 0.013182 0.001039 -0.003747 -0.000083 0.007966 0.017927 1Rh 5s -0.010713 -0.003505 0.001527 0.000088 -0.006163 -0.019582 1Rh 6s -0.020716 0.008385 0.011940 -0.000032 -0.014081 -0.010569 1Rh 7s -0.122607 -0.011616 0.039643 -0.014254 0.010543 0.091150 1Rh 8s 0.306519 -0.307256 -0.426646 0.044744 0.009871 -1.064164 1Rh 1pz 0.002463 -0.003537 0.000736 0.000061 0.000177 0.000342 1Rh 1px -0.008616 -0.000945 0.000504 0.000278 -0.002264 0.002552 1Rh 1py -0.001482 -0.000829 -0.003680 0.000125 -0.000272 0.000109 1Rh 2pz -0.008375 0.012126 -0.002524 -0.000205 -0.000690 -0.001078 1Rh 2px 0.029427 0.003201 -0.001774 -0.000944 0.007758 -0.008824 1Rh 2py 0.005082 0.002850 0.012603 -0.000441 0.000947 -0.000401 1Rh 3pz 0.006532 -0.011164 0.002334 0.000121 0.002189 -0.000821 1Rh 3px -0.025254 -0.002217 0.002476 0.000677 -0.007045 0.009394 1Rh 3py -0.004767 -0.002721 -0.011405 0.000654 -0.001115 0.000897 1Rh 4pz 0.012917 -0.012428 0.002526 0.000437 -0.004750 0.007877 1Rh 4px -0.036984 -0.005939 -0.001229 0.001675 -0.008446 0.004507 1Rh 4py -0.004925 -0.002608 -0.013696 -0.000503 -0.000145 -0.001524 1Rh 5pz -0.001217 -0.012114 0.002966 -0.000372 0.007057 -0.011345 1Rh 5px -0.009092 0.001617 0.007479 -0.000382 -0.006326 0.017916 1Rh 5py -0.004514 -0.003648 -0.010857 0.001828 -0.001980 0.003572 1Rh 6pz -0.057844 0.232499 -0.057976 0.044102 -0.090881 0.134304 1Rh 6px 0.116615 -0.017600 -0.113509 -0.004659 0.050451 -0.377183 1Rh 6py 0.085340 0.070566 0.199467 0.060181 0.022621 -0.041743 1Rh 1dz2 -0.002361 -0.000619 0.000778 -0.005997 -0.000222 0.000850 1Rh 1dxz -0.003014 0.002929 0.000322 0.000200 -0.003117 -0.000395 1Rh 1dyz -0.000854 0.001563 0.000161 -0.012967 -0.000149 -0.000873 1Rh 1dx2y2 0.003814 0.000324 -0.001685 -0.002400 0.002058 0.000369 1Rh 1dxy 0.000865 0.000672 0.003697 -0.005489 0.001150 -0.001120 1Rh 2dz2 0.000092 0.000319 -0.000000 0.000321 0.000136 -0.000115 1Rh 2dxz 0.000090 -0.000501 -0.000038 -0.000097 -0.000080 0.000074 1Rh 2dyz 0.000094 -0.000048 0.000318 0.000764 0.000001 0.000028 1Rh 2dx2y2 -0.000135 -0.000147 0.000338 0.000088 -0.000235 0.000111 1Rh 2dxy -0.000161 -0.000109 -0.000538 0.000247 -0.000103 0.000183 1Rh 3dz2 0.003590 -0.000217 -0.001309 0.008882 -0.000184 -0.001034 1Rh 3dxz 0.004710 -0.002990 -0.000400 0.000053 0.005666 0.000383 1Rh 3dyz 0.001053 -0.002457 -0.001562 0.018902 0.000275 0.001354 1Rh 3dx2y2 -0.005856 0.000036 0.001481 0.003728 -0.002552 -0.001051 1Rh 3dxy -0.000804 -0.000720 -0.004120 0.008316 -0.001542 0.001197 1Rh 4dz2 0.004500 0.004840 -0.000984 0.012892 0.001964 -0.002354 1Rh 4dxz 0.005420 -0.010232 -0.000922 -0.001440 0.003267 0.001466 1Rh 4dyz 0.002383 -0.002706 0.003953 0.028770 -0.000287 0.002049 1Rh 4dx2y2 -0.007070 -0.002320 0.006560 0.004697 -0.005891 0.000676 1Rh 4dxy -0.003086 -0.002229 -0.011724 0.011271 -0.002995 0.003894 1Rh 5dz2 0.002225 -0.017963 -0.006654 -0.000587 -0.006019 -0.000455 1Rh 5dxz 0.002976 0.016143 0.000435 0.004031 0.017893 -0.001648 1Rh 5dyz -0.001772 -0.007551 -0.026486 -0.006347 0.007412 -0.004745 1Rh 5dx2y2 -0.003357 0.008344 -0.012307 0.000731 0.005744 -0.006137 1Rh 5dxy 0.005052 0.002330 0.013159 0.001594 0.002476 -0.007497 1Rh 1f0 -0.000399 -0.000301 -0.000311 0.000134 0.000257 0.000291 1Rh 1f+1 0.000377 -0.000984 0.000120 -0.000218 -0.000035 0.000219 1Rh 1f-1 0.000095 -0.000602 -0.000477 0.000179 0.000063 -0.000121 1Rh 1f+2 0.000577 0.001188 -0.000038 0.000058 0.000596 -0.001229 1Rh 1f-2 0.000061 0.000087 -0.000869 -0.000134 -0.000238 -0.000201 1Rh 1f+3 0.000431 -0.000390 0.000904 0.000036 0.000248 0.000212 1Rh 1f-3 0.000068 -0.000248 -0.000931 0.000119 0.000308 -0.000348 2C 1s 0.014253 -0.028070 -0.011665 -0.023411 -0.002350 -0.004137 2C 2s 0.031869 -0.063356 -0.026166 -0.052820 -0.005164 -0.009337 2C 3s -0.080926 0.170989 0.065013 0.140013 0.010339 0.026867 2C 4s 0.045196 -0.143323 -0.027365 -0.101828 -0.002289 -0.049165 2C 5s -1.815834 4.049148 1.618800 3.132975 0.289428 0.549319 2C 1pz 0.015533 -0.043290 -0.006987 -0.050366 0.010697 0.019104 2C 1px 0.020033 -0.025390 -0.007550 -0.012744 -0.066818 -0.090570 2C 1py 0.009802 -0.018561 -0.023025 -0.031488 0.013196 0.000863 2C 2pz -0.017585 0.060432 0.030356 0.034591 -0.002043 -0.018721 2C 2px -0.015064 0.013156 0.007363 0.001597 -0.000674 -0.011954 2C 2py -0.011570 0.043128 0.021803 0.029204 -0.005982 -0.017466 2C 3pz -0.095460 0.188180 0.122391 0.106409 0.187294 0.239927 2C 3px 0.173605 -0.077088 0.000968 0.040887 -0.524901 -0.519489 2C 3py -0.089544 0.194127 0.021117 0.077327 0.141773 0.134740 2C 1dz2 -0.000861 0.001714 0.000403 0.000583 -0.001183 -0.000695 2C 1dxz 0.000936 -0.000524 -0.000591 -0.000089 -0.003421 -0.006615 2C 1dyz -0.002111 0.002404 0.001377 0.000584 0.001182 0.000959 2C 1dx2y2 -0.000960 0.000288 -0.000088 -0.000308 0.003516 0.004486 2C 1dxy -0.000661 0.000423 0.000101 -0.000145 0.000352 -0.001838 2C 2dz2 -0.012806 0.029570 0.016811 0.033625 0.002275 -0.000066 2C 2dxz -0.001857 0.016333 0.021492 0.023525 -0.037466 -0.034604 2C 2dyz -0.022003 0.052994 0.020219 0.054753 0.019486 0.023959 2C 2dx2y2 -0.000047 -0.013368 0.001088 -0.016286 0.022130 0.033582 2C 2dxy -0.001829 0.020087 -0.003458 0.016271 -0.000219 -0.005002 2C 1f0 0.000710 -0.003133 -0.000077 -0.002480 0.001422 0.002664 2C 1f+1 -0.000312 0.001099 -0.000651 0.000761 0.001915 0.001678 2C 1f-1 0.000952 -0.000764 -0.000260 0.000963 -0.001648 -0.002544 2C 1f+2 -0.002464 0.006341 0.002458 0.005298 -0.002498 -0.002253 2C 1f-2 0.003376 -0.007149 -0.001469 -0.005533 -0.001999 -0.002600 2C 1f+3 -0.003732 0.008192 0.004495 0.008016 -0.000341 0.000672 2C 1f-3 -0.001248 0.001877 0.000171 0.001278 0.003448 0.004101 3C 1s 0.015177 -0.011401 0.028419 0.022541 0.005418 -0.004667 3C 2s 0.034043 -0.025554 0.064129 0.050814 0.012262 -0.010440 3C 3s -0.088748 0.064286 -0.173834 -0.134782 -0.030762 0.026625 3C 4s 0.060818 -0.027842 0.148936 0.096437 0.020682 -0.027409 3C 5s -2.024628 1.579293 -4.089656 -2.961439 -0.915830 0.694680 3C 1pz 0.001897 -0.017434 0.007161 0.024221 0.006647 0.015359 3C 1px 0.013630 -0.015458 0.020635 0.020775 -0.043378 -0.044097 3C 1py -0.023905 0.007887 -0.049626 -0.049542 -0.032733 0.002106 3C 2pz -0.008724 0.024866 -0.039078 -0.028933 -0.003018 -0.010843 3C 2px -0.015315 0.011163 -0.026738 -0.009897 0.002964 -0.015883 3C 2py 0.023417 -0.032061 0.059442 0.030687 0.003720 0.008588 3C 3pz -0.166954 0.021251 -0.258176 -0.051012 -0.052557 0.230839 3C 3px 0.038575 -0.009794 -0.002597 -0.055480 -0.455733 -0.148676 3C 3py 0.049306 -0.117489 0.168805 0.103363 -0.004370 -0.130615 3C 1dz2 0.000829 0.000135 0.000815 -0.000146 0.000325 0.000554 3C 1dxz 0.000713 0.000092 0.000251 -0.000445 -0.003245 -0.004079 3C 1dyz 0.002313 -0.001505 0.002552 0.000392 -0.002001 -0.001031 3C 1dx2y2 0.000595 -0.000205 0.000813 0.000577 -0.000862 0.000789 3C 1dxy 0.000238 -0.000308 0.000714 0.000196 -0.001528 0.002632 3C 2dz2 0.006640 -0.003026 0.016311 0.014342 0.011676 -0.001289 3C 2dxz -0.006842 -0.001068 -0.017801 -0.016577 -0.039905 -0.016644 3C 2dyz 0.018409 -0.010598 0.050405 0.047082 0.004333 -0.015191 3C 2dx2y2 0.012014 -0.026110 0.027033 0.032070 0.001790 -0.001282 3C 2dxy 0.014000 -0.020545 0.029604 0.033778 0.011057 -0.002390 3C 1f0 0.002112 -0.003619 0.004410 0.005221 0.000380 -0.000390 3C 1f+1 0.000835 -0.000846 0.001701 0.001594 0.002266 0.001477 3C 1f-1 0.002357 -0.000938 0.005231 0.004273 0.002392 -0.000736 3C 1f+2 -0.004716 0.003468 -0.009711 -0.007340 -0.000460 0.001486 3C 1f-2 -0.003081 0.002119 -0.006104 -0.004425 -0.001797 0.000083 3C 1f+3 -0.000267 -0.000890 -0.001293 -0.001487 -0.003068 -0.000834 3C 1f-3 0.000791 -0.000576 0.001890 0.001783 -0.001869 -0.002312 4C 1s 0.003215 0.004114 0.001414 0.002802 0.000333 -0.000175 4C 2s 0.006705 0.009711 0.003334 0.006224 0.000829 -0.000297 4C 3s -0.016495 -0.008677 0.002252 0.009222 0.008152 0.004537 4C 4s -0.046520 -0.058749 -0.046402 -0.137894 -0.035090 0.008316 4C 5s 0.828377 -1.775898 -0.798574 -1.170561 -0.231758 -0.219049 4C 1pz -0.010270 -0.001886 0.001562 0.002401 0.012001 0.020337 4C 1px -0.005578 -0.000834 0.004528 -0.001739 0.006792 -0.009102 4C 1py -0.002017 -0.005263 -0.005887 0.005102 -0.000715 0.009376 4C 2pz -0.009614 -0.000389 0.019517 0.041454 -0.024597 0.005386 4C 2px 0.013057 -0.009009 0.005908 -0.009601 0.062842 0.007119 4C 2py 0.005404 0.006207 -0.028120 0.027900 0.004859 0.009218 4C 3pz -0.316520 0.740144 0.240034 0.421418 0.019743 0.177312 4C 3px -0.116177 0.052485 -0.102270 -0.042360 0.457955 0.076131 4C 3py -0.208585 0.373592 0.280979 0.234314 0.097384 0.071584 4C 1dz2 -0.000993 0.001366 0.001533 0.000394 -0.000416 -0.001747 4C 1dxz 0.001002 -0.002616 -0.000584 -0.002022 0.001943 0.002977 4C 1dyz -0.003682 0.006644 0.002574 0.002540 0.000977 0.000368 4C 1dx2y2 -0.002827 0.004750 0.002608 0.002991 0.001192 0.001050 4C 1dxy -0.002341 0.004296 0.001450 0.001860 0.001880 0.002406 4C 2dz2 -0.002241 -0.025072 -0.013794 -0.019676 -0.010807 0.005260 4C 2dxz -0.003861 -0.007711 -0.002808 -0.008791 0.045724 0.044158 4C 2dyz 0.001260 -0.026872 -0.013095 -0.030407 0.005183 0.010656 4C 2dx2y2 0.008067 0.019303 0.003239 0.010496 -0.010189 -0.016232 4C 2dxy 0.000834 0.001676 0.003849 -0.003826 0.017338 0.021409 4C 1f0 -0.000050 -0.000050 0.000262 0.000547 0.000308 0.000914 4C 1f+1 0.000134 -0.000844 -0.000764 0.000651 0.002115 0.000602 4C 1f-1 -0.000517 0.000657 0.000842 0.000866 -0.000181 -0.000307 4C 1f+2 0.000102 -0.000319 -0.000066 -0.000886 -0.002895 -0.002074 4C 1f-2 0.000297 -0.000748 0.000868 0.000019 0.000872 -0.000049 4C 1f+3 -0.000297 0.000312 -0.001378 0.000150 -0.000694 -0.001161 4C 1f-3 -0.000451 -0.001236 0.001067 0.000816 0.000105 0.001402 5C 1s 0.003031 0.001738 -0.004060 -0.003091 0.000722 -0.001123 5C 2s 0.006291 0.004075 -0.009553 -0.006814 0.001916 -0.002536 5C 3s -0.016233 -0.001473 0.003641 -0.008524 -0.018474 0.010664 5C 4s -0.041577 -0.040567 0.088028 0.144612 0.074346 -0.003592 5C 5s 0.914897 -0.761961 1.820603 1.050639 0.271862 -0.266837 5C 1pz 0.003579 -0.006114 0.003768 -0.003541 -0.005631 0.002826 5C 1px 0.002932 -0.000448 0.004679 -0.002721 -0.001932 -0.013191 5C 1py 0.015529 -0.000519 0.001109 0.001511 0.017466 -0.028364 5C 2pz 0.003990 -0.017963 -0.002124 -0.026408 -0.034144 -0.004427 5C 2px 0.005640 -0.024682 -0.003856 -0.006581 0.045457 0.004548 5C 2py 0.010367 -0.026357 -0.006707 0.037278 0.038275 -0.029106 5C 3pz -0.200054 0.294540 -0.338949 -0.243669 -0.222062 0.152635 5C 3px -0.072797 0.092048 -0.250277 -0.089709 0.235351 -0.023060 5C 3py 0.384844 -0.191572 0.711019 0.364627 0.341955 -0.236986 5C 1dz2 0.003102 -0.002805 0.005070 0.002449 -0.001009 -0.000713 5C 1dxz 0.001333 -0.001534 0.002142 0.001754 -0.000335 0.000763 5C 1dyz 0.004228 -0.002649 0.007408 0.002964 -0.000628 0.001519 5C 1dx2y2 -0.001102 0.000089 -0.002137 -0.001628 0.002305 0.000957 5C 1dxy 0.001048 -0.000880 0.001565 -0.000039 -0.001838 -0.002284 5C 2dz2 -0.004333 0.002233 -0.000292 -0.003178 -0.019155 0.003407 5C 2dxz -0.006152 -0.006640 0.009670 0.009410 0.021082 0.017912 5C 2dyz -0.003943 0.007788 -0.026335 -0.025989 0.005476 -0.002684 5C 2dx2y2 0.001780 0.013977 -0.026001 -0.020976 0.018371 -0.007794 5C 2dxy 0.001290 0.015080 -0.010139 -0.014699 -0.019524 -0.018905 5C 1f0 0.000234 -0.000334 0.000502 0.000194 0.000347 0.000709 5C 1f+1 0.000038 0.001321 0.000977 -0.000462 -0.000981 0.000550 5C 1f-1 0.000512 0.000369 0.000721 0.000220 0.001396 -0.000574 5C 1f+2 0.000331 -0.001295 0.000293 0.000442 0.000088 -0.000340 5C 1f-2 0.000208 0.000745 0.000635 0.000757 -0.000375 -0.000991 5C 1f+3 0.000340 0.000368 0.000490 -0.000969 -0.002093 0.000290 5C 1f-3 0.000560 0.000997 0.000489 0.000803 0.001438 -0.002017 6C 1s 0.003045 -0.001755 0.004048 -0.003059 0.000742 0.001122 6C 2s 0.006323 -0.004111 0.009530 -0.006744 0.001961 0.002536 6C 3s -0.016230 0.001450 -0.003646 -0.008536 -0.018386 -0.010899 6C 4s -0.041672 0.041105 -0.087101 0.143615 0.073139 0.004374 6C 5s 0.905230 0.758839 -1.827937 1.041292 0.270848 0.280549 6C 1pz -0.003241 -0.005966 0.003786 0.003360 0.005818 0.003445 6C 1px -0.002849 -0.000401 0.004682 0.002648 0.002107 -0.013362 6C 1py -0.015287 -0.000369 0.001129 -0.001514 -0.017316 -0.028687 6C 2pz -0.003867 -0.017962 -0.002316 0.026101 0.034490 -0.003466 6C 2px -0.005516 -0.024782 -0.003496 0.006553 -0.045070 0.002565 6C 2py -0.010324 -0.025888 -0.006387 -0.037083 -0.038055 -0.029856 6C 3pz 0.198922 0.294005 -0.342642 0.240434 0.219725 0.162729 6C 3px 0.070096 0.092000 -0.250847 0.086443 -0.230454 -0.027338 6C 3py -0.378565 -0.190886 0.716942 -0.360933 -0.343763 -0.250184 6C 1dz2 0.003074 0.002793 -0.005090 0.002427 -0.001006 0.000723 6C 1dxz 0.001325 0.001536 -0.002161 0.001749 -0.000342 -0.000790 6C 1dyz 0.004184 0.002652 -0.007463 0.002951 -0.000645 -0.001525 6C 1dx2y2 -0.001093 -0.000099 0.002151 -0.001616 0.002312 -0.000916 6C 1dxy 0.001041 0.000877 -0.001569 -0.000049 -0.001829 0.002279 6C 2dz2 -0.004340 -0.002203 0.000145 -0.003146 -0.018676 -0.003646 6C 2dxz -0.006280 0.006526 -0.009759 0.009292 0.020893 -0.017477 6C 2dyz -0.003910 -0.007805 0.026341 -0.025908 0.005459 0.002962 6C 2dx2y2 0.002003 -0.013773 0.026299 -0.020941 0.018244 0.008565 6C 2dxy 0.001431 -0.014934 0.010135 -0.014433 -0.019466 0.018347 6C 1f0 -0.000219 -0.000325 0.000514 -0.000185 -0.000344 0.000702 6C 1f+1 -0.000020 0.001330 0.000986 0.000453 0.000990 0.000608 6C 1f-1 -0.000497 0.000365 0.000717 -0.000220 -0.001394 -0.000610 6C 1f+2 -0.000342 -0.001286 0.000300 -0.000444 -0.000098 -0.000369 6C 1f-2 -0.000200 0.000740 0.000609 -0.000764 0.000376 -0.000968 6C 1f+3 -0.000333 0.000374 0.000506 0.000961 0.002043 0.000318 6C 1f-3 -0.000562 0.000986 0.000473 -0.000807 -0.001429 -0.002080 7C 1s 0.003194 -0.004122 -0.001438 0.002808 0.000320 0.000146 7C 2s 0.006655 -0.009728 -0.003382 0.006239 0.000803 0.000228 7C 3s -0.016458 0.008743 -0.002080 0.009144 0.008449 -0.004122 7C 4s -0.046280 0.058735 0.046158 -0.137621 -0.035314 -0.009056 7C 5s 0.835986 1.771594 0.794238 -1.171133 -0.243742 0.209145 7C 1pz 0.010086 -0.002127 0.001460 -0.002305 -0.012662 0.019641 7C 1px 0.005626 -0.001023 0.004388 0.001764 -0.006477 -0.009281 7C 1py 0.002129 -0.004974 -0.005790 -0.005091 0.000089 0.009419 7C 2pz 0.009633 -0.000561 0.019321 -0.041240 0.023945 0.004707 7C 2px -0.012891 -0.009309 0.005888 0.009618 -0.062835 0.006713 7C 2py -0.005306 0.006612 -0.027871 -0.028163 -0.005545 0.009383 7C 3pz 0.317688 0.739848 0.237283 -0.423346 -0.027187 0.165748 7C 3px 0.114958 0.049391 -0.104205 0.046193 -0.463822 0.070884 7C 3py 0.212388 0.375783 0.280324 -0.234203 -0.106068 0.066824 7C 1dz2 -0.000963 -0.001312 -0.001498 0.000370 -0.000475 0.001774 7C 1dxz 0.001030 0.002638 0.000590 -0.002046 0.002006 -0.002889 7C 1dyz -0.003748 -0.006663 -0.002578 0.002563 0.000997 -0.000376 7C 1dx2y2 -0.002834 -0.004697 -0.002586 0.002980 0.001184 -0.001028 7C 1dxy -0.002370 -0.004274 -0.001438 0.001855 0.001988 -0.002444 7C 2dz2 -0.001938 0.025019 0.013820 -0.019716 -0.010825 -0.005119 7C 2dxz -0.003953 0.007517 0.002756 -0.008534 0.046679 -0.043582 7C 2dyz 0.001497 0.027000 0.013214 -0.030569 0.005507 -0.010671 7C 2dx2y2 0.007934 -0.019540 -0.003317 0.010722 -0.010749 0.016214 7C 2dxy 0.000685 -0.001808 -0.004015 -0.003689 0.017964 -0.021315 7C 1f0 0.000063 -0.000048 0.000263 -0.000536 -0.000390 0.000920 7C 1f+1 -0.000136 -0.000845 -0.000775 -0.000642 -0.002132 0.000570 7C 1f-1 0.000536 0.000668 0.000837 -0.000869 0.000174 -0.000316 7C 1f+2 -0.000093 -0.000309 -0.000058 0.000890 0.002964 -0.002004 7C 1f-2 -0.000289 -0.000741 0.000866 -0.000021 -0.000853 -0.000056 7C 1f+3 0.000280 0.000293 -0.001389 -0.000144 0.000731 -0.001161 7C 1f-3 0.000445 -0.001236 0.001056 -0.000800 -0.000136 0.001361 8C 1s 0.015002 0.011419 -0.028605 0.022390 0.005390 0.004727 8C 2s 0.033653 0.025600 -0.064546 0.050474 0.012202 0.010593 8C 3s -0.087763 -0.064564 0.174879 -0.133859 -0.030726 -0.027329 8C 4s 0.060384 0.028889 -0.149327 0.095559 0.021216 0.029954 8C 5s -2.000549 -1.580899 4.113819 -2.938516 -0.916600 -0.725137 8C 1pz -0.002044 -0.017331 0.007392 -0.024062 -0.005970 0.015578 8C 1px -0.013723 -0.015525 0.021041 -0.020613 0.042701 -0.043665 8C 1py 0.023419 0.007970 -0.049700 0.049304 0.032822 0.002387 8C 2pz 0.008602 0.024627 -0.039173 0.028563 0.002967 -0.010602 8C 2px 0.015191 0.011027 -0.026833 0.009718 -0.002623 -0.015736 8C 2py -0.022928 -0.031764 0.059793 -0.030602 -0.003584 0.008549 8C 3pz 0.163153 0.020100 -0.258778 0.050501 0.059241 0.235942 8C 3px -0.039849 -0.010636 -0.001455 0.056108 0.447083 -0.144642 8C 3py -0.050123 -0.117527 0.170548 -0.099914 0.004891 -0.136415 8C 1dz2 0.000816 -0.000149 -0.000833 -0.000136 0.000285 -0.000537 8C 1dxz 0.000709 -0.000093 -0.000257 -0.000451 -0.003181 0.004083 8C 1dyz 0.002302 0.001502 -0.002582 0.000405 -0.001962 0.001061 8C 1dx2y2 0.000588 0.000208 -0.000828 0.000586 -0.000873 -0.000860 8C 1dxy 0.000220 0.000311 -0.000709 0.000198 -0.001513 -0.002734 8C 2dz2 0.006530 0.003171 -0.016349 0.014300 0.011186 0.001754 8C 2dxz -0.006749 0.001263 0.017993 -0.016608 -0.039709 0.015892 8C 2dyz 0.018064 0.010864 -0.050502 0.046712 0.004249 0.015339 8C 2dx2y2 0.011863 0.025697 -0.027223 0.031697 0.001963 0.001065 8C 2dxy 0.013923 0.020497 -0.029864 0.033633 0.011011 0.002322 8C 1f0 -0.002121 -0.003608 0.004491 -0.005221 -0.000418 -0.000355 8C 1f+1 -0.000736 -0.000735 0.001521 -0.001418 -0.002218 0.001469 8C 1f-1 -0.002301 -0.000935 0.005204 -0.004209 -0.002368 -0.000786 8C 1f+2 0.004626 0.003483 -0.009704 0.007248 0.000452 0.001486 8C 1f-2 0.003108 0.002161 -0.006282 0.004514 0.001814 0.000148 8C 1f+3 0.000290 -0.000850 -0.001381 0.001565 0.003026 -0.000749 8C 1f-3 -0.000733 -0.000572 0.001801 -0.001688 0.001892 -0.002285 9C 1s 0.014383 0.027971 0.011621 -0.023415 -0.002560 0.004033 9C 2s 0.032157 0.063133 0.026076 -0.052832 -0.005629 0.009102 9C 3s -0.081578 -0.170309 -0.065023 0.140078 0.011398 -0.026184 9C 4s 0.045064 0.142478 0.028604 -0.102117 -0.002748 0.048031 9C 5s -1.831844 -4.039010 -1.616839 3.136680 0.316519 -0.523306 9C 1pz -0.015228 -0.042728 -0.006781 0.050320 -0.011736 0.019595 9C 1px -0.020279 -0.025309 -0.007569 0.012758 0.069464 -0.089431 9C 1py -0.010606 -0.019093 -0.023396 0.031653 -0.012079 -0.000091 9C 2pz 0.017850 0.060586 0.030095 -0.034870 0.002608 -0.018964 9C 2px 0.015176 0.012914 0.007324 -0.001309 0.000446 -0.011802 9C 2py 0.012243 0.043185 0.021670 -0.029038 0.005913 -0.017175 9C 3pz 0.099213 0.189815 0.122287 -0.104970 -0.203733 0.237882 9C 3px -0.175024 -0.076044 0.000410 -0.043803 0.545228 -0.511894 9C 3py 0.084340 0.191620 0.018060 -0.078211 -0.137746 0.121702 9C 1dz2 -0.000887 -0.001712 -0.000408 0.000593 -0.001167 0.000609 9C 1dxz 0.000949 0.000547 0.000595 -0.000087 -0.003669 0.006578 9C 1dyz -0.002128 -0.002391 -0.001378 0.000575 0.001173 -0.000899 9C 1dx2y2 -0.000956 -0.000266 0.000093 -0.000341 0.003692 -0.004407 9C 1dxy -0.000665 -0.000429 -0.000086 -0.000148 0.000351 0.001745 9C 2dz2 -0.012876 -0.029114 -0.016475 0.033132 0.002814 -0.000081 9C 2dxz -0.001918 -0.016309 -0.021319 0.023398 -0.038675 0.034843 9C 2dyz -0.022391 -0.052985 -0.020567 0.055040 0.020047 -0.023243 9C 2dx2y2 -0.000114 0.013786 -0.001552 -0.016567 0.022589 -0.033209 9C 2dxy -0.001868 -0.020039 0.003365 0.016505 0.000124 0.004053 9C 1f0 -0.000698 -0.003144 -0.000048 0.002524 -0.001470 0.002626 9C 1f+1 0.000300 0.001019 -0.000654 -0.000701 -0.002036 0.001761 9C 1f-1 -0.000915 -0.000650 -0.000270 -0.001046 0.001655 -0.002464 9C 1f+2 0.002609 0.006585 0.002526 -0.005519 0.002469 -0.002138 9C 1f-2 -0.003333 -0.006948 -0.001430 0.005395 0.002116 -0.002599 9C 1f+3 0.003704 0.008007 0.004468 -0.007884 0.000411 0.000497 9C 1f-3 0.001417 0.002189 0.000354 -0.001598 -0.003579 0.004103 10H 1s 0.001143 -0.005192 -0.001933 -0.005487 0.008788 0.015430 10H 2s -0.010807 0.070863 0.033767 0.082327 -0.093087 -0.100033 10H 3s 0.292337 -1.000525 -0.400070 -1.003069 0.717557 0.830046 10H 1pz -0.003100 0.011734 0.004762 0.011918 -0.009882 -0.012103 10H 1px 0.007269 -0.023211 -0.009597 -0.023178 0.016564 0.019064 10H 1py -0.001294 0.003655 0.001857 0.003412 -0.002533 -0.003476 11H 1s 0.005407 -0.007510 -0.004520 -0.006653 -0.005115 -0.007887 11H 2s -0.034817 0.080337 -0.023583 0.049581 0.070340 0.058348 11H 3s 0.658620 -1.275521 -0.376794 -0.953254 -0.539662 -0.626767 11H 1pz -0.008254 0.016804 0.002640 0.012480 0.010817 0.012421 11H 1px -0.009410 0.019868 0.003392 0.015154 0.008586 0.008690 11H 1py 0.009323 -0.018216 -0.003572 -0.013166 -0.007963 -0.007936 12H 1s 0.004768 -0.008234 -0.001983 -0.006091 -0.003047 -0.006036 12H 2s -0.040529 0.048032 0.067629 0.056893 0.024554 0.057258 12H 3s 0.584017 -1.124591 -0.566025 -0.967505 -0.254773 -0.517917 12H 1pz 0.005261 -0.009278 -0.005328 -0.008103 -0.001022 -0.002113 12H 1px -0.005012 0.009997 0.005864 0.009659 0.000737 0.003493 12H 1py -0.013423 0.023045 0.014377 0.020389 0.007801 0.014642 13H 1s 0.001629 -0.001688 0.004501 0.005746 0.006045 0.007839 13H 2s -0.033453 0.039230 -0.072310 -0.067926 -0.075098 -0.028604 13H 3s 0.428712 -0.412184 1.003047 0.947757 0.697073 0.293241 13H 1pz -0.008128 0.007846 -0.017344 -0.015325 -0.013304 -0.004582 13H 1px 0.008889 -0.008189 0.019451 0.017801 0.012109 0.005257 13H 1py 0.002683 -0.002979 0.006800 0.006266 0.005986 0.002365 14H 1s 0.005500 -0.002006 0.008457 0.005540 -0.005366 -0.005994 14H 2s -0.025062 0.072497 -0.051458 -0.066405 0.062297 0.029189 14H 3s 0.573507 -0.556994 1.116283 0.928657 -0.318043 -0.381708 14H 1pz -0.007394 0.008498 -0.013235 -0.010883 0.005538 0.007126 14H 1px -0.011433 0.013953 -0.022699 -0.020716 0.008184 0.008059 14H 1py -0.004206 0.004379 -0.007399 -0.006232 0.002244 0.000852 15H 1s 0.004497 -0.004882 0.007988 0.006286 0.000565 -0.002036 15H 2s -0.038151 -0.024748 -0.085978 -0.055430 -0.027528 0.024103 15H 3s 0.699632 -0.353129 1.306664 0.911936 0.277680 -0.359673 15H 1pz 0.012532 -0.004175 0.024413 0.017346 0.004810 -0.005056 15H 1px -0.001543 0.000509 -0.004130 -0.003674 -0.003299 -0.000027 15H 1py 0.010512 -0.003130 0.021810 0.015516 0.004756 -0.006851 16H 1s -0.026882 -0.002030 0.002960 -0.004255 0.027018 0.020361 16H 2s -0.057462 0.008406 0.006743 -0.000632 0.013450 0.009843 16H 3s -0.479612 -0.221407 0.015849 -0.153243 0.893627 0.658813 16H 1pz 0.017556 0.006764 -0.001501 0.004250 -0.026725 -0.020815 16H 1px 0.000005 0.000223 -0.000386 0.000037 0.003124 0.002363 16H 1py 0.007091 0.003861 -0.000290 0.002292 -0.014553 -0.011926 17H 1s -0.026828 0.002310 0.002215 0.004861 -0.027855 -0.031875 17H 2s -0.052116 -0.009549 0.007648 0.010454 -0.032123 -0.036162 17H 3s -0.487817 0.137690 -0.090618 0.150880 -0.877616 -1.009906 17H 1pz -0.012383 0.004314 -0.001169 0.002245 -0.014928 -0.016130 17H 1px -0.011366 0.003341 -0.000796 0.002251 -0.017240 -0.019349 17H 1py 0.010493 -0.003786 0.001446 -0.003105 0.017923 0.019292 18H 1s -0.026845 -0.002216 -0.002050 0.004870 -0.028498 0.031208 18H 2s -0.052784 0.009964 -0.007073 0.010103 -0.032478 0.034995 18H 3s -0.486390 -0.138653 0.091179 0.151718 -0.898677 0.989266 18H 1pz 0.012610 0.004426 -0.001198 -0.002356 0.015739 -0.016280 18H 1px 0.011343 0.003365 -0.000818 -0.002313 0.017733 -0.019038 18H 1py -0.010072 -0.003685 0.001415 0.003086 -0.017830 0.018350 19H 1s -0.026984 0.002149 -0.002732 -0.004297 0.027521 -0.019615 19H 2s -0.058001 -0.008228 -0.006626 -0.000760 0.013812 -0.009134 19H 3s -0.481070 0.223127 -0.007413 -0.155514 0.909971 -0.636140 19H 1pz -0.017431 0.006753 -0.001215 -0.004242 0.026853 -0.019846 19H 1px 0.000128 0.000169 -0.000370 -0.000007 -0.003410 0.002461 19H 1py -0.007503 0.004038 -0.000202 -0.002386 0.015401 -0.011977 20H 1s 0.004480 0.004872 -0.008046 0.006253 0.000668 0.002181 20H 2s -0.037063 0.023740 0.085988 -0.055327 -0.027298 -0.024160 20H 3s 0.689642 0.355332 -1.313266 0.907578 0.281651 0.369579 20H 1pz -0.012341 -0.004267 0.024534 -0.017274 -0.004826 -0.005163 20H 1px 0.001614 0.000570 -0.004355 0.003812 0.003299 0.000066 20H 1py -0.010312 -0.003221 0.021815 -0.015367 -0.004783 -0.007024 21H 1s 0.005423 0.002013 -0.008535 0.005515 -0.005325 0.005886 21H 2s -0.025051 -0.072119 0.051832 -0.065510 0.061731 -0.027443 21H 3s 0.569141 0.558306 -1.124102 0.920244 -0.311944 0.378698 21H 1pz 0.007411 0.008565 -0.013485 0.010915 -0.005482 0.007113 21H 1px 0.011284 0.013887 -0.022746 0.020431 -0.008056 0.007824 21H 1py 0.004209 0.004430 -0.007520 0.006242 -0.002221 0.000831 22H 1s 0.001573 0.001707 -0.004508 0.005726 0.005868 -0.008026 22H 2s -0.033054 -0.038517 0.072814 -0.067594 -0.074683 0.026874 22H 3s 0.423135 0.411820 -1.008730 0.942725 0.686178 -0.288320 22H 1pz 0.007951 0.007725 -0.017306 0.015117 0.013089 -0.004370 22H 1px -0.008820 -0.008194 0.019647 -0.017771 -0.012013 0.005141 22H 1py -0.002699 -0.003012 0.006954 -0.006319 -0.005999 0.002311 23H 1s 0.004854 0.008204 0.002007 -0.006078 -0.003372 0.005973 23H 2s -0.041677 -0.047623 -0.068150 0.056189 0.026028 -0.056440 23H 3s 0.594835 1.121906 0.569886 -0.965468 -0.278244 0.510759 23H 1pz -0.005408 -0.009349 -0.005429 0.008179 0.001131 -0.002135 23H 1px 0.004922 0.009614 0.005698 -0.009339 -0.000772 0.003276 23H 1py 0.013710 0.023054 0.014507 -0.020405 -0.008376 0.014453 24H 1s 0.005420 0.007489 0.004496 -0.006623 -0.005312 0.007769 24H 2s -0.034698 -0.079658 0.023377 0.050350 0.071945 -0.057950 24H 3s 0.660465 1.269061 0.376312 -0.954987 -0.557974 0.614294 24H 1pz 0.008226 0.016611 0.002624 -0.012430 -0.011156 0.012183 24H 1px 0.009586 0.020071 0.003457 -0.015455 -0.008967 0.008738 24H 1py -0.009230 -0.017834 -0.003533 0.012982 0.008090 -0.007677 25H 1s 0.001150 0.005106 0.001922 -0.005506 0.009317 -0.015220 25H 2s -0.010724 -0.070927 -0.033148 0.082133 -0.095137 0.099522 25H 3s 0.294418 0.997911 0.398285 -1.006291 0.744126 -0.822729 25H 1pz 0.003172 0.011867 0.004778 -0.012068 0.010266 -0.012142 25H 1px -0.007296 -0.023120 -0.009501 0.023170 -0.017049 0.018896 25H 1py 0.001190 0.003376 0.001707 -0.003145 0.002446 -0.003291 26O 1s 0.002274 -0.008583 -0.002734 -0.003555 0.004365 0.003143 26O 2s 0.005571 -0.021371 -0.006776 -0.008821 0.011272 0.008212 26O 3s -0.008919 0.042210 0.012918 0.016566 -0.028133 -0.022190 26O 4s -0.016928 0.016786 0.004614 0.006406 0.021978 0.023377 26O 5s -0.095234 0.279693 0.135283 0.171568 -0.322125 -0.182682 26O 1pz -0.009337 -0.020735 0.009307 -0.025887 0.008528 0.010436 26O 1px 0.021492 -0.016988 -0.001243 -0.004485 -0.031780 -0.028696 26O 1py 0.000109 -0.001493 -0.029600 -0.017392 -0.003647 -0.007887 26O 2pz -0.012965 -0.013150 0.013291 -0.020321 0.005412 0.009581 26O 2px 0.027071 -0.017696 -0.000898 -0.009009 -0.021266 -0.022340 26O 2py -0.000132 0.001770 -0.020486 -0.013462 -0.006232 -0.008015 26O 3pz 0.032673 -0.058122 -0.030089 -0.049787 0.000503 -0.054255 26O 3px 0.023862 -0.054120 -0.039991 -0.046644 0.050993 0.013604 26O 3py 0.032713 -0.036325 -0.096490 -0.056532 0.047061 -0.020252 26O 1dz2 0.000588 0.000214 -0.000103 0.000112 -0.000617 -0.000406 26O 1dxz 0.000206 0.000433 -0.000170 0.000309 -0.000878 -0.001434 26O 1dyz 0.000154 0.000032 0.000223 0.000000 -0.000090 -0.000384 26O 1dx2y2 -0.000791 -0.000181 -0.000459 -0.000158 0.000868 0.000956 26O 1dxy -0.000528 -0.000021 0.000149 -0.000122 0.000571 -0.000105 26O 2dz2 0.003581 -0.000942 -0.001765 -0.001628 0.002448 -0.000279 26O 2dxz -0.000886 -0.000132 -0.000184 0.001883 -0.002641 -0.001404 26O 2dyz -0.001679 0.002750 0.000566 0.001875 -0.000138 -0.001061 26O 2dx2y2 -0.005036 0.003388 0.002493 0.002201 -0.002070 -0.000715 26O 2dxy -0.006550 0.003909 0.003643 0.004112 -0.001653 -0.000981 26O 1f0 -0.000005 -0.000061 0.000118 0.000096 0.000058 -0.000010 26O 1f+1 -0.000364 0.000146 0.000173 0.000181 -0.000000 0.000144 26O 1f-1 -0.000145 0.000042 0.000055 0.000178 -0.000042 -0.000040 26O 1f+2 -0.000163 0.000285 0.000279 0.000007 0.000034 0.000086 26O 1f-2 0.000147 -0.000356 -0.000182 -0.000242 -0.000116 -0.000033 26O 1f+3 -0.000235 0.000320 0.000091 0.000170 -0.000095 0.000065 26O 1f-3 -0.000635 0.000624 0.000424 0.000483 0.000168 0.000080 27O 1s 0.004014 -0.003361 0.009250 0.002870 0.000985 0.001631 27O 2s 0.009943 -0.008301 0.023010 0.007101 0.002471 0.004287 27O 3s -0.018342 0.015105 -0.044886 -0.012955 -0.003845 -0.012287 27O 4s -0.018121 0.011650 -0.022920 -0.006806 -0.005613 0.017710 27O 5s -0.138169 0.115874 -0.277710 -0.124672 -0.166415 -0.096668 27O 1pz -0.010291 -0.024692 -0.005132 0.013888 0.012076 0.009471 27O 1px 0.010325 -0.014038 0.010181 0.011940 -0.017760 -0.006980 27O 1py -0.003785 -0.012568 -0.022679 -0.022845 0.000958 0.010802 27O 2pz -0.016188 -0.017487 -0.009463 0.010099 0.008547 0.010628 27O 2px 0.013650 -0.014322 0.013675 0.014516 -0.000927 -0.005395 27O 2py 0.002258 -0.011652 -0.018635 -0.020265 0.002611 0.007392 27O 3pz 0.035175 -0.053619 0.008004 0.024521 0.017631 -0.040494 27O 3px 0.031500 -0.065495 0.037751 0.043470 0.048239 0.001252 27O 3py -0.061006 -0.002109 -0.039624 -0.027224 -0.064973 0.066236 27O 1dz2 0.000373 0.000353 0.000113 0.000022 -0.000273 -0.000025 27O 1dxz 0.000283 0.000442 -0.000165 -0.000172 -0.000397 -0.000722 27O 1dyz -0.000013 -0.000069 -0.000110 -0.000121 0.000165 -0.000024 27O 1dx2y2 -0.000681 -0.000035 0.000303 0.000129 0.000290 0.000393 27O 1dxy -0.000001 0.000115 0.000412 0.000250 -0.000472 0.000950 27O 2dz2 0.004280 -0.003278 0.003648 0.002716 0.005632 0.001137 27O 2dxz -0.000959 -0.000129 0.000667 -0.000274 0.000620 0.001160 27O 2dyz 0.001179 -0.001517 0.003115 0.001046 -0.002552 0.000866 27O 2dx2y2 -0.005968 0.004032 -0.003471 -0.002255 -0.006671 0.000161 27O 2dxy 0.003594 -0.000755 0.000873 0.002299 0.002804 0.001007 27O 1f0 0.000068 -0.000050 0.000112 0.000095 0.000123 -0.000019 27O 1f+1 -0.000426 0.000337 -0.000556 -0.000359 -0.000243 0.000051 27O 1f-1 0.000063 0.000034 0.000202 0.000134 -0.000028 0.000062 27O 1f+2 -0.000166 0.000031 -0.000240 0.000004 -0.000150 -0.000013 27O 1f-2 -0.000213 0.000252 -0.000448 -0.000143 0.000128 0.000011 27O 1f+3 -0.000451 0.000360 -0.000345 -0.000276 -0.000288 0.000136 27O 1f-3 -0.000018 -0.000172 0.000153 0.000344 0.000010 0.000208 28O 1s 0.003425 -0.008758 -0.004346 -0.002706 -0.001211 0.002561 28O 2s 0.008514 -0.021575 -0.010721 -0.006555 -0.003219 0.006184 28O 3s -0.016086 0.039053 0.019305 0.009879 0.007264 -0.011157 28O 4s -0.017369 0.040182 0.021680 0.021712 -0.003810 -0.006792 28O 5s -0.102477 0.180988 0.075750 0.032005 0.288533 0.051304 28O 1pz -0.001109 -0.021042 0.011168 -0.022606 -0.003800 0.012542 28O 1px -0.012423 0.003233 0.010587 0.002501 -0.022563 -0.010188 28O 1py -0.003619 0.006955 -0.026424 -0.015691 0.008646 -0.008297 28O 2pz -0.000870 -0.022586 0.003489 -0.023297 -0.019465 -0.005430 28O 2px -0.014856 0.003295 0.010720 0.000957 -0.001616 0.008600 28O 2py -0.005113 0.003424 -0.020709 -0.017053 0.005227 -0.012324 28O 3pz 0.023793 0.005047 0.039417 0.001490 -0.070871 0.046805 28O 3px 0.006429 0.033944 0.033394 0.026597 0.035892 -0.034558 28O 3py 0.010173 0.035997 -0.030329 0.007956 -0.014892 0.024425 28O 1dz2 -0.000025 0.000644 -0.000262 0.000383 0.000283 0.000066 28O 1dxz 0.000680 -0.000128 -0.000104 -0.000238 0.000851 -0.000393 28O 1dyz -0.000217 0.000056 0.000266 0.000198 0.000277 0.000656 28O 1dx2y2 -0.000700 -0.000256 -0.000198 -0.000119 -0.000325 0.000415 28O 1dxy 0.000023 -0.000259 -0.000469 -0.000310 0.000316 -0.000097 28O 2dz2 -0.000634 -0.000394 0.000288 0.000192 0.001222 0.002013 28O 2dxz 0.005077 -0.002534 -0.001023 -0.001737 -0.007952 -0.002396 28O 2dyz -0.002055 0.004009 0.002121 0.001253 0.002767 0.001869 28O 2dx2y2 -0.003070 0.004303 0.002620 0.002336 0.004545 0.001375 28O 2dxy 0.000930 0.002318 0.001398 0.000909 -0.000041 -0.000500 28O 1f0 -0.000162 0.000137 0.000184 0.000097 0.000162 0.000016 28O 1f+1 0.000011 0.000155 0.000086 0.000224 -0.000013 0.000121 28O 1f-1 0.000113 -0.000226 0.000001 -0.000050 -0.000055 -0.000003 28O 1f+2 0.000338 -0.000546 -0.000206 -0.000348 -0.000354 -0.000053 28O 1f-2 -0.000032 0.000273 0.000206 0.000156 0.000034 -0.000092 28O 1f+3 0.000315 -0.000363 -0.000228 -0.000184 -0.000245 -0.000010 28O 1f-3 0.000102 -0.000169 -0.000060 -0.000062 0.000053 0.000010 29O 1s -0.018868 0.000184 0.001895 0.000433 -0.000885 -0.003964 29O 2s -0.047476 0.000313 0.004494 0.001055 -0.002156 -0.010041 29O 3s 0.102046 0.001556 -0.005578 -0.001650 0.003228 0.022549 29O 4s 0.023923 -0.012099 -0.022142 -0.002776 0.006371 -0.001958 29O 5s 0.550861 0.033226 0.005906 -0.011265 0.021023 0.169207 29O 1pz -0.022166 -0.031744 0.007980 -0.022164 0.141168 0.128563 29O 1px 0.046726 -0.009658 0.004067 -0.008098 0.049122 0.055564 29O 1py -0.064097 -0.003142 -0.011409 0.002535 -0.013806 -0.031939 29O 2pz -0.014909 -0.007853 0.003579 -0.007929 0.067620 0.064248 29O 2px 0.031636 -0.004104 -0.003703 -0.004051 0.026299 0.028036 29O 2py -0.039558 -0.001567 -0.006123 0.000604 -0.008482 -0.018032 29O 3pz -0.045123 -0.088733 0.021305 -0.065747 0.345401 0.313163 29O 3px 0.077450 -0.019333 0.031865 -0.021935 0.109338 0.122676 29O 3py -0.142199 -0.013663 -0.024112 0.014495 -0.035822 -0.083691 29O 1dz2 -0.000923 0.000166 -0.000096 -0.000117 0.000446 0.000296 29O 1dxz -0.000538 -0.000266 0.000097 0.000153 -0.000436 -0.000337 29O 1dyz 0.000180 0.000122 0.000116 -0.000211 0.000555 0.000637 29O 1dx2y2 -0.000367 -0.000150 0.000046 0.000011 -0.000218 -0.000496 29O 1dxy -0.000106 -0.000086 -0.000225 -0.000066 0.000320 0.000145 29O 2dz2 -0.006327 -0.001564 0.000279 -0.001520 0.010022 0.007653 29O 2dxz -0.004473 0.001066 -0.000173 0.001104 -0.008828 -0.009384 29O 2dyz 0.001098 -0.002793 0.000848 -0.002228 0.015022 0.014285 29O 2dx2y2 -0.000373 -0.000039 -0.000636 0.000388 -0.002579 -0.003533 29O 2dxy 0.002002 -0.001544 -0.001521 -0.000970 0.006366 0.006792 29O 1f0 0.000204 -0.000157 0.000121 -0.000095 0.000621 0.000691 29O 1f+1 -0.000102 -0.000220 0.000019 -0.000163 0.000748 0.000642 29O 1f-1 0.000174 0.000238 -0.000071 0.000218 -0.001255 -0.001038 29O 1f+2 0.000002 -0.000120 0.000054 -0.000104 0.000761 0.000716 29O 1f-2 0.000184 -0.000234 0.000039 -0.000121 0.000972 0.000975 29O 1f+3 0.000166 0.000153 0.000121 0.000003 -0.000283 -0.000177 29O 1f-3 0.000053 0.000142 -0.000043 0.000046 -0.000523 -0.000500 30O 1s 0.002261 -0.004216 0.007585 0.003399 -0.003493 0.004542 30O 2s 0.005576 -0.010459 0.018673 0.008337 -0.009068 0.011209 30O 3s -0.009549 0.020367 -0.033299 -0.014117 0.023011 -0.021758 30O 4s -0.016330 0.011793 -0.033527 -0.019374 -0.021038 -0.011645 30O 5s -0.076557 0.084761 -0.219103 -0.070250 0.316116 -0.067132 30O 1pz -0.000874 -0.029901 -0.000862 0.015861 -0.013789 0.008804 30O 1px -0.023427 -0.006326 -0.011812 0.008410 -0.023410 0.003884 30O 1py -0.001445 -0.011235 -0.022061 -0.022681 -0.015621 0.004815 30O 2pz 0.001523 -0.019642 0.001708 0.014501 -0.017471 0.004378 30O 2px -0.025982 -0.005640 -0.011809 0.006948 -0.014401 0.015225 30O 2py -0.002065 -0.010877 -0.023579 -0.025011 -0.008789 0.010843 30O 3pz 0.000053 -0.053618 0.016667 0.016574 -0.029061 0.011015 30O 3px -0.008481 -0.007648 -0.067429 -0.017567 0.054581 -0.040424 30O 3py -0.015269 -0.022460 -0.028212 -0.003082 0.015018 -0.008834 30O 1dz2 0.000212 0.000555 -0.000046 -0.000036 0.000761 -0.000449 30O 1dxz 0.000829 -0.000130 -0.000078 -0.000066 0.000594 -0.000639 30O 1dyz 0.000481 -0.000326 0.000004 0.000153 -0.000095 -0.000627 30O 1dx2y2 -0.000385 -0.000077 0.000683 0.000517 -0.000791 0.000435 30O 1dxy -0.000584 -0.000085 -0.000115 -0.000095 -0.000831 0.000330 30O 2dz2 0.001158 -0.001223 0.002987 0.000635 -0.002522 -0.000809 30O 2dxz 0.004769 -0.000505 0.004752 0.001927 -0.001485 -0.002824 30O 2dyz 0.004381 -0.001147 0.006051 0.002513 -0.002425 -0.001924 30O 2dx2y2 -0.002129 0.000287 -0.003276 -0.000798 -0.002283 0.000737 30O 2dxy -0.003612 -0.001245 -0.001312 -0.000576 0.000409 0.002770 30O 1f0 -0.000385 0.000184 -0.000525 -0.000197 -0.000005 0.000187 30O 1f+1 -0.000017 -0.000090 0.000121 0.000044 -0.000185 0.000280 30O 1f-1 -0.000107 0.000192 -0.000111 -0.000054 -0.000040 0.000108 30O 1f+2 0.000199 -0.000064 0.000219 0.000096 0.000032 0.000094 30O 1f-2 0.000478 -0.000112 0.000748 0.000373 0.000037 -0.000225 30O 1f+3 0.000106 -0.000068 0.000127 -0.000026 0.000110 0.000116 30O 1f-3 0.000226 0.000015 0.000240 0.000122 0.000042 0.000025 31O 1s 0.002230 0.004233 -0.007648 0.003366 -0.003490 -0.004724 31O 2s 0.005500 0.010498 -0.018831 0.008250 -0.009059 -0.011670 31O 3s -0.009418 -0.020405 0.033600 -0.013894 0.022969 0.022766 31O 4s -0.016169 -0.012062 0.033907 -0.019618 -0.020946 0.011435 31O 5s -0.076213 -0.085001 0.218481 -0.068150 0.315576 0.078228 31O 1pz 0.000638 -0.029792 -0.000836 -0.015635 0.013329 0.008593 31O 1px 0.023295 -0.006414 -0.011956 -0.008306 0.023245 0.004703 31O 1py 0.001061 -0.011153 -0.022011 0.022706 0.014992 0.004614 31O 2pz -0.001754 -0.019714 0.001744 -0.014399 0.016996 0.004249 31O 2px 0.025853 -0.005703 -0.011889 -0.006912 0.014242 0.015746 31O 2py 0.001785 -0.010697 -0.023492 0.025019 0.008081 0.010477 31O 3pz -0.000182 -0.053107 0.015766 -0.015947 0.029595 0.012300 31O 3px 0.008637 -0.007493 -0.067031 0.018022 -0.054647 -0.042628 31O 3py 0.014617 -0.022925 -0.027438 0.003147 -0.014562 -0.009535 31O 1dz2 0.000212 -0.000557 0.000046 -0.000038 0.000750 0.000472 31O 1dxz 0.000828 0.000126 0.000070 -0.000068 0.000604 0.000668 31O 1dyz 0.000482 0.000327 -0.000015 0.000153 -0.000098 0.000639 31O 1dx2y2 -0.000387 0.000078 -0.000682 0.000517 -0.000796 -0.000463 31O 1dxy -0.000582 0.000086 0.000123 -0.000094 -0.000817 -0.000341 31O 2dz2 0.001168 0.001259 -0.003002 0.000642 -0.002543 0.000738 31O 2dxz 0.004749 0.000486 -0.004732 0.001916 -0.001463 0.002782 31O 2dyz 0.004342 0.001144 -0.006054 0.002520 -0.002460 0.001833 31O 2dx2y2 -0.002125 -0.000266 0.003291 -0.000814 -0.002262 -0.000778 31O 2dxy -0.003622 0.001226 0.001295 -0.000588 0.000463 -0.002676 31O 1f0 0.000382 0.000182 -0.000525 0.000195 0.000003 0.000189 31O 1f+1 0.000015 -0.000093 0.000122 -0.000042 0.000179 0.000277 31O 1f-1 0.000105 0.000190 -0.000110 0.000053 0.000036 0.000108 31O 1f+2 -0.000195 -0.000064 0.000222 -0.000098 -0.000031 0.000101 31O 1f-2 -0.000472 -0.000111 0.000747 -0.000372 -0.000034 -0.000224 31O 1f+3 -0.000103 -0.000066 0.000130 0.000027 -0.000107 0.000120 31O 1f-3 -0.000225 0.000013 0.000241 -0.000122 -0.000043 0.000024 32O 1s -0.018928 -0.000117 -0.001763 0.000435 -0.000947 0.003995 32O 2s -0.047623 -0.000151 -0.004158 0.001059 -0.002313 0.010120 32O 3s 0.102287 -0.001824 0.004822 -0.001625 0.003574 -0.022743 32O 4s 0.024327 0.011639 0.022141 -0.003014 0.006472 0.001931 32O 5s 0.551909 -0.034181 -0.010397 -0.010277 0.022873 -0.169772 32O 1pz 0.020754 -0.031950 0.007393 0.022501 -0.144516 0.125916 32O 1px -0.047269 -0.009487 0.004290 0.008047 -0.049654 0.053987 32O 1py 0.064292 -0.003775 -0.011744 -0.002009 0.010752 -0.028531 32O 2pz 0.014036 -0.007949 0.003434 0.008040 -0.069336 0.062991 32O 2px -0.032070 -0.003922 -0.003504 0.004008 -0.026484 0.027192 32O 2py 0.039794 -0.001664 -0.006410 -0.000456 0.007133 -0.016404 32O 3pz 0.042108 -0.088955 0.019692 0.066821 -0.353539 0.306623 32O 3px -0.078767 -0.019217 0.032165 0.021774 -0.110842 0.118889 32O 3py 0.142732 -0.015627 -0.024602 -0.012482 0.028046 -0.075132 32O 1dz2 -0.000944 -0.000159 0.000102 -0.000110 0.000429 -0.000257 32O 1dxz -0.000533 0.000270 -0.000090 0.000153 -0.000464 0.000342 32O 1dyz 0.000134 -0.000122 -0.000118 -0.000213 0.000574 -0.000614 32O 1dx2y2 -0.000364 0.000151 -0.000039 0.000016 -0.000246 0.000512 32O 1dxy -0.000121 0.000087 0.000225 -0.000058 0.000310 -0.000113 32O 2dz2 -0.006390 0.001461 -0.000166 -0.001441 0.009514 -0.006760 32O 2dxz -0.004440 -0.001142 0.000165 0.001178 -0.009382 0.009500 32O 2dyz 0.000773 0.002890 -0.000790 -0.002292 0.015625 -0.014089 32O 2dx2y2 -0.000397 -0.000054 0.000633 0.000436 -0.003051 0.003834 32O 2dxy 0.001839 0.001487 0.001554 -0.000952 0.006188 -0.006332 32O 1f0 -0.000185 -0.000175 0.000123 0.000114 -0.000718 0.000739 32O 1f+1 0.000113 -0.000213 0.000011 0.000158 -0.000733 0.000592 32O 1f-1 -0.000181 0.000224 -0.000056 -0.000206 0.001200 -0.000932 32O 1f+2 0.000004 -0.000121 0.000051 0.000106 -0.000783 0.000697 32O 1f-2 -0.000170 -0.000252 0.000034 0.000135 -0.001057 0.001004 32O 1f+3 -0.000175 0.000141 0.000127 0.000002 0.000245 -0.000129 32O 1f-3 -0.000061 0.000149 -0.000039 -0.000050 0.000561 -0.000509 33O 1s 0.003514 0.008748 0.004294 -0.002731 -0.001089 -0.002502 33O 2s 0.008732 0.021553 0.010591 -0.006614 -0.002921 -0.006037 33O 3s -0.016477 -0.039040 -0.019009 0.009946 0.006727 0.010836 33O 4s -0.017841 -0.040065 -0.021744 0.022119 -0.004299 0.006879 33O 5s -0.103989 -0.179880 -0.073560 0.030765 0.289113 -0.052651 33O 1pz 0.001198 -0.020830 0.011183 0.022677 0.003380 0.012476 33O 1px 0.012308 0.003311 0.010550 -0.002413 0.022515 -0.010099 33O 1py 0.003418 0.006853 -0.026605 0.015573 -0.008589 -0.008358 33O 2pz 0.000861 -0.022407 0.003390 0.023408 0.019380 -0.005298 33O 2px 0.014805 0.003385 0.010613 -0.000914 0.001061 0.008472 33O 2py 0.004884 0.003250 -0.020967 0.017116 -0.004992 -0.012491 33O 3pz -0.023231 0.005934 0.040487 -0.002107 0.069745 0.047291 33O 3px -0.005960 0.033671 0.033578 -0.026488 -0.034500 -0.033238 33O 3py -0.010065 0.036531 -0.029802 -0.009238 0.014641 0.025007 33O 1dz2 -0.000027 -0.000641 0.000261 0.000384 0.000279 -0.000066 33O 1dxz 0.000681 0.000133 0.000103 -0.000241 0.000835 0.000400 33O 1dyz -0.000222 -0.000061 -0.000269 0.000200 0.000290 -0.000652 33O 1dx2y2 -0.000689 0.000262 0.000206 -0.000125 -0.000306 -0.000392 33O 1dxy 0.000026 0.000257 0.000472 -0.000313 0.000328 0.000098 33O 2dz2 -0.000637 0.000400 -0.000285 0.000183 0.001211 -0.001983 33O 2dxz 0.005076 0.002508 0.000961 -0.001744 -0.008020 0.002312 33O 2dyz -0.002078 -0.003970 -0.002092 0.001256 0.002839 -0.001916 33O 2dx2y2 -0.003085 -0.004289 -0.002595 0.002333 0.004605 -0.001279 33O 2dxy 0.000881 -0.002369 -0.001440 0.000957 -0.000101 0.000470 33O 1f0 0.000165 0.000139 0.000183 -0.000098 -0.000165 0.000016 33O 1f+1 -0.000011 0.000155 0.000087 -0.000223 0.000009 0.000122 33O 1f-1 -0.000113 -0.000225 0.000004 0.000049 0.000056 -0.000002 33O 1f+2 -0.000339 -0.000544 -0.000203 0.000349 0.000357 -0.000047 33O 1f-2 0.000033 0.000270 0.000206 -0.000155 -0.000034 -0.000087 33O 1f+3 -0.000316 -0.000361 -0.000224 0.000183 0.000246 -0.000003 33O 1f-3 -0.000104 -0.000171 -0.000059 0.000062 -0.000052 0.000008 34O 1s 0.003952 0.003366 -0.009311 0.002854 0.000937 -0.001568 34O 2s 0.009790 0.008311 -0.023162 0.007062 0.002352 -0.004133 34O 3s -0.018065 -0.015085 0.045179 -0.012909 -0.003632 0.012087 34O 4s -0.017814 -0.011862 0.023093 -0.006607 -0.005426 -0.018432 34O 5s -0.137361 -0.115923 0.278722 -0.124738 -0.163123 0.092529 34O 1pz 0.009907 -0.024623 -0.005143 -0.013795 -0.012038 0.008895 34O 1px -0.010315 -0.014027 0.010325 -0.011803 0.017574 -0.006556 34O 1py 0.003493 -0.012499 -0.022669 0.022848 -0.000748 0.010853 34O 2pz 0.015808 -0.017496 -0.009566 -0.010030 -0.008498 0.010271 34O 2px -0.013605 -0.014455 0.013812 -0.014349 0.000889 -0.005483 34O 2py -0.002525 -0.011531 -0.018431 0.020137 -0.002577 0.007399 34O 3pz -0.035442 -0.053180 0.008648 -0.024379 -0.017886 -0.042126 34O 3px -0.031684 -0.065110 0.037700 -0.043288 -0.047270 -0.000378 34O 3py 0.060900 -0.002323 -0.040814 0.028038 0.065592 0.068781 34O 1dz2 0.000370 -0.000354 -0.000114 0.000023 -0.000268 0.000015 34O 1dxz 0.000285 -0.000441 0.000162 -0.000175 -0.000390 0.000721 34O 1dyz -0.000013 0.000067 0.000111 -0.000118 0.000168 0.000032 34O 1dx2y2 -0.000680 0.000034 -0.000293 0.000127 0.000280 -0.000374 34O 1dxy -0.000006 -0.000114 -0.000410 0.000248 -0.000465 -0.000971 34O 2dz2 0.004264 0.003270 -0.003673 0.002688 0.005578 -0.000969 34O 2dxz -0.000962 0.000142 -0.000664 -0.000287 0.000643 -0.001125 34O 2dyz 0.001149 0.001525 -0.003118 0.001033 -0.002562 -0.000909 34O 2dx2y2 -0.005931 -0.004015 0.003489 -0.002223 -0.006649 -0.000330 34O 2dxy 0.003627 0.000784 -0.000937 0.002307 0.002814 -0.000933 34O 1f0 -0.000070 -0.000053 0.000113 -0.000093 -0.000121 -0.000027 34O 1f+1 0.000421 0.000337 -0.000560 0.000357 0.000242 0.000056 34O 1f-1 -0.000061 0.000032 0.000204 -0.000134 0.000028 0.000065 34O 1f+2 0.000167 0.000031 -0.000242 -0.000005 0.000152 -0.000002 34O 1f-2 0.000209 0.000250 -0.000450 0.000143 -0.000127 0.000007 34O 1f+3 0.000447 0.000359 -0.000349 0.000272 0.000287 0.000144 34O 1f-3 0.000017 -0.000176 0.000156 -0.000343 -0.000011 0.000209 35O 1s 0.002291 0.008592 0.002712 -0.003564 0.004452 -0.003064 35O 2s 0.005611 0.021397 0.006722 -0.008849 0.011497 -0.008007 35O 3s -0.008972 -0.042316 -0.012807 0.016690 -0.028745 0.021638 35O 4s -0.017067 -0.016480 -0.004560 0.005993 0.022678 -0.022727 35O 5s -0.095310 -0.280357 -0.134066 0.173296 -0.327920 0.177053 35O 1pz 0.009388 -0.020592 0.009093 0.025926 -0.008341 0.010271 35O 1px -0.021728 -0.016756 -0.001072 0.004482 0.032667 -0.028392 35O 1py -0.000356 -0.001749 -0.029710 0.017392 0.003784 -0.007775 35O 2pz 0.013112 -0.012883 0.013055 0.020233 -0.005223 0.009198 35O 2px -0.027181 -0.017466 -0.000673 0.008911 0.022144 -0.022112 35O 2py -0.000033 0.001563 -0.020577 0.013496 0.006219 -0.007811 35O 3pz -0.033414 -0.058934 -0.029894 0.050700 0.001256 -0.051754 35O 3px -0.024240 -0.053831 -0.039493 0.046683 -0.051983 0.013119 35O 3py -0.033703 -0.036775 -0.096351 0.056264 -0.045673 -0.020330 35O 1dz2 0.000592 -0.000213 0.000101 0.000112 -0.000629 0.000400 35O 1dxz 0.000206 -0.000426 0.000166 0.000306 -0.000907 0.001401 35O 1dyz 0.000149 -0.000032 -0.000222 0.000001 -0.000097 0.000380 35O 1dx2y2 -0.000792 0.000186 0.000461 -0.000161 0.000912 -0.000948 35O 1dxy -0.000528 0.000025 -0.000140 -0.000121 0.000562 0.000119 35O 2dz2 0.003603 0.000925 0.001727 -0.001624 0.002433 0.000192 35O 2dxz -0.000904 0.000078 0.000190 0.001922 -0.002643 0.001332 35O 2dyz -0.001692 -0.002759 -0.000579 0.001885 -0.000142 0.001007 35O 2dx2y2 -0.005071 -0.003379 -0.002410 0.002167 -0.001987 0.000675 35O 2dxy -0.006553 -0.003863 -0.003571 0.004085 -0.001739 0.001105 35O 1f0 0.000007 -0.000058 0.000117 -0.000097 -0.000054 -0.000011 35O 1f+1 0.000366 0.000148 0.000170 -0.000180 -0.000005 0.000138 35O 1f-1 0.000144 0.000040 0.000055 -0.000176 0.000044 -0.000039 35O 1f+2 0.000166 0.000285 0.000279 -0.000008 -0.000038 0.000083 35O 1f-2 -0.000152 -0.000359 -0.000181 0.000245 0.000117 -0.000034 35O 1f+3 0.000237 0.000323 0.000089 -0.000170 0.000090 0.000062 35O 1f-3 0.000637 0.000618 0.000417 -0.000480 -0.000176 0.000074 132 133 134 135 136 137 0.11247 0.11374 0.11847 0.11894 0.12163 0.12383 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s -0.000910 -0.004173 0.002005 0.000655 -0.001355 -0.001227 0Rh 2s 0.004369 0.015684 -0.007064 -0.002519 0.004980 0.004066 0Rh 3s -0.002579 -0.014521 0.007271 0.002244 -0.004785 -0.004609 0Rh 4s -0.019539 -0.068392 0.030616 0.011009 -0.021679 -0.017453 0Rh 5s 0.023558 0.054277 -0.020680 -0.009005 0.016393 0.008804 0Rh 6s 0.002903 0.117687 -0.066608 -0.018247 0.040384 0.050251 0Rh 7s -0.212480 0.350844 0.013221 -0.014451 -0.030519 0.218389 0Rh 8s 2.171445 -1.033445 0.255598 0.110113 -0.007113 -2.068535 0Rh 1pz -0.000864 0.003796 -0.004688 0.001171 0.001447 -0.000321 0Rh 1px 0.002334 -0.011075 0.005810 -0.001122 -0.004499 0.001077 0Rh 1py -0.000278 -0.001907 0.001432 -0.000818 0.001206 0.001722 0Rh 2pz 0.002986 -0.013012 0.016094 -0.004027 -0.005002 0.001103 0Rh 2px -0.008180 0.037959 -0.019981 0.003860 0.015392 -0.003533 0Rh 2py 0.000890 0.006566 -0.004938 0.002763 -0.004157 -0.005881 0Rh 3pz -0.003201 0.011802 -0.014950 0.003944 0.005251 -0.001126 0Rh 3px 0.010758 -0.034347 0.019304 -0.003770 -0.013383 0.000273 0Rh 3py 0.000354 -0.006513 0.005017 -0.001681 0.004126 0.004936 0Rh 4pz -0.001295 0.014596 -0.017004 0.003165 0.003055 -0.000479 0Rh 4px -0.003409 -0.042924 0.017790 -0.003236 -0.019423 0.015011 0Rh 4py -0.005342 -0.005395 0.003602 -0.006457 0.003783 0.007870 0Rh 5pz -0.007987 0.005748 -0.009968 0.006391 0.007688 -0.002178 0Rh 5px 0.031355 -0.018078 0.020710 -0.005012 -0.003912 -0.020268 0Rh 5py 0.007671 -0.005729 0.005994 0.005059 0.000729 0.002658 0Rh 6pz 0.203474 0.023443 0.096246 -0.030939 -0.041723 -0.133168 0Rh 6px -0.594672 0.116355 -0.171733 0.103117 0.064158 0.262705 0Rh 6py -0.097377 0.046663 -0.034107 0.037409 -0.012815 0.028280 0Rh 1dz2 0.000274 0.014254 -0.008179 0.003085 0.004747 -0.002804 0Rh 1dxz 0.001873 0.018048 -0.003018 0.001103 0.005191 -0.006195 0Rh 1dyz 0.003407 0.003149 -0.000268 0.009630 0.000425 0.000228 0Rh 1dx2y2 -0.002302 -0.026860 0.011333 -0.000896 -0.006940 0.003775 0Rh 1dxy -0.000070 -0.011021 0.003241 0.002485 -0.006588 0.005064 0Rh 2dz2 0.000198 -0.000751 0.000411 -0.000124 -0.000227 0.000261 0Rh 2dxz -0.000033 -0.000858 0.000177 -0.000042 -0.000300 0.000219 0Rh 2dyz -0.000187 -0.000078 -0.000002 -0.000585 -0.000182 -0.000078 0Rh 2dx2y2 -0.000127 0.001389 -0.000519 0.000016 0.000190 0.000075 0Rh 2dxy 0.000002 0.000429 -0.000173 0.000079 0.000481 -0.000325 0Rh 3dz2 -0.001240 -0.021356 0.012367 -0.004783 -0.007241 0.003799 0Rh 3dxz -0.003061 -0.027484 0.004413 -0.001730 -0.007690 0.009800 0Rh 3dyz -0.005119 -0.005059 0.000432 -0.014205 0.000014 -0.000082 0Rh 3dx2y2 0.004428 0.040351 -0.017300 0.001493 0.011110 -0.006803 0Rh 3dxy 0.000096 0.017176 -0.004880 -0.004569 0.009381 -0.007419 0Rh 4dz2 0.002171 -0.028807 0.016550 -0.005787 -0.009214 0.007068 0Rh 4dxz -0.003207 -0.035246 0.006057 -0.002115 -0.010819 0.011585 0Rh 4dyz -0.006649 -0.005382 0.000652 -0.020544 -0.002703 -0.001213 0Rh 4dx2y2 0.002038 0.054225 -0.022137 0.001534 0.011955 -0.004451 0Rh 4dxy 0.000325 0.020448 -0.006434 -0.002614 0.015391 -0.011081 0Rh 5dz2 -0.014333 -0.017825 0.011117 -0.005060 -0.007891 -0.002695 0Rh 5dxz -0.003210 -0.028655 0.009349 -0.001627 -0.005058 0.009200 0Rh 5dyz -0.009554 -0.008485 -0.001440 -0.007308 0.006096 0.003866 0Rh 5dx2y2 0.012409 0.034409 -0.022314 0.000483 0.017085 -0.015465 0Rh 5dxy -0.002378 0.021159 -0.007789 -0.013970 -0.004365 -0.002469 0Rh 1f0 0.000420 -0.000179 0.000558 0.000310 -0.000504 0.000658 0Rh 1f+1 -0.000550 0.000053 -0.000227 0.001179 0.000947 -0.000451 0Rh 1f-1 -0.000769 0.000364 -0.000002 0.001242 -0.000976 0.000128 0Rh 1f+2 0.000446 0.000303 -0.001405 -0.000754 0.000618 0.000798 0Rh 1f-2 -0.000285 0.000152 -0.000468 0.001162 -0.000435 0.001347 0Rh 1f+3 -0.000538 0.000321 0.000109 0.000419 -0.000124 -0.002040 0Rh 1f-3 -0.000515 0.000288 -0.000031 0.000117 -0.000532 0.001206 1Rh 1s 0.000739 -0.004195 0.001971 -0.000785 -0.001300 0.001318 1Rh 2s -0.003725 0.015801 -0.006950 0.002981 0.004788 -0.004397 1Rh 3s 0.001981 -0.014581 0.007147 -0.002714 -0.004585 0.004937 1Rh 4s 0.016732 -0.068917 0.030127 -0.013010 -0.020852 0.018890 1Rh 5s -0.021336 0.054959 -0.020409 0.010377 0.015876 -0.009844 1Rh 6s 0.001947 0.117579 -0.065295 0.022524 0.038389 -0.053103 1Rh 7s 0.226866 0.342676 0.018198 0.015773 -0.037219 -0.214359 1Rh 8s -2.214466 -0.957072 0.207568 -0.130347 0.057002 2.066784 1Rh 1pz -0.001021 -0.003764 0.004719 0.000863 -0.001423 -0.000285 1Rh 1px 0.002803 0.010995 -0.005831 -0.000775 0.004571 0.000787 1Rh 1py -0.000192 0.001930 -0.001481 -0.000686 -0.001141 0.001748 1Rh 2pz 0.003526 0.012902 -0.016202 -0.002972 0.004920 0.000977 1Rh 2px -0.009791 -0.037680 0.020050 0.002666 -0.015637 -0.002540 1Rh 2py 0.000593 -0.006645 0.005103 0.002309 0.003938 -0.005972 1Rh 3pz -0.003717 -0.011708 0.015051 0.002977 -0.005191 -0.000946 1Rh 3px 0.012244 0.033973 -0.019322 -0.002638 0.013520 -0.000600 1Rh 3py 0.000665 0.006549 -0.005090 -0.001234 -0.003938 0.005025 1Rh 4pz -0.001807 -0.014461 0.017097 0.001997 -0.002900 -0.000587 1Rh 4px -0.001693 0.043064 -0.018033 -0.002094 0.020014 0.013798 1Rh 4py -0.005151 0.005624 -0.004093 -0.006062 -0.003504 0.007963 1Rh 5pz -0.008362 -0.005628 0.010143 0.005890 -0.007753 -0.001589 1Rh 5px 0.032363 0.016962 -0.020429 -0.003924 0.003465 -0.020649 1Rh 5py 0.007953 0.005518 -0.005473 0.005459 -0.000602 0.002609 1Rh 6pz 0.204911 -0.028834 -0.093954 -0.026497 0.037711 -0.137567 1Rh 6px -0.600357 -0.095755 0.167039 0.094177 -0.059789 0.268069 1Rh 6py -0.100723 -0.045144 0.034809 0.034893 0.013075 0.028493 1Rh 1dz2 0.000229 0.014276 -0.008307 -0.002549 0.004814 0.002597 1Rh 1dxz -0.001150 0.018098 -0.003113 -0.000887 0.005492 0.005780 1Rh 1dyz -0.003202 0.003439 -0.000746 -0.009609 -0.000079 -0.000238 1Rh 1dx2y2 0.001216 -0.026917 0.011471 0.000069 -0.006997 -0.003397 1Rh 1dxy -0.000367 -0.010953 0.003101 -0.002630 -0.006881 -0.004747 1Rh 2dz2 -0.000229 -0.000743 0.000417 0.000095 -0.000244 -0.000250 1Rh 2dxz -0.000001 -0.000856 0.000182 0.000035 -0.000315 -0.000196 1Rh 2dyz 0.000186 -0.000094 0.000026 0.000583 -0.000148 0.000088 1Rh 2dx2y2 0.000186 0.001384 -0.000515 0.000025 0.000182 -0.000086 1Rh 2dxy 0.000012 0.000428 -0.000176 -0.000070 0.000498 0.000304 1Rh 3dz2 0.000505 -0.021421 0.012564 0.003983 -0.007293 -0.003490 1Rh 3dxz 0.001959 -0.027576 0.004556 0.001389 -0.008149 -0.009183 1Rh 3dyz 0.004772 -0.005492 0.001142 0.014177 0.000745 0.000061 1Rh 3dx2y2 -0.002807 0.040469 -0.017553 -0.000240 0.011242 0.006199 1Rh 3dxy 0.000599 0.017067 -0.004627 0.004783 0.009814 0.006960 1Rh 4dz2 -0.003239 -0.028741 0.016793 0.004671 -0.009520 -0.006650 1Rh 4dxz 0.001805 -0.035306 0.006259 0.001753 -0.011437 -0.010721 1Rh 4dyz 0.006354 -0.005977 0.001662 0.020474 -0.001596 0.001335 1Rh 4dx2y2 0.000192 0.054253 -0.022291 0.000113 0.011928 0.003791 1Rh 4dxy 0.000436 0.020337 -0.006273 0.002906 0.016012 0.010375 1Rh 5dz2 0.013830 -0.018409 0.011321 0.004562 -0.007151 0.002982 1Rh 5dxz 0.001936 -0.028828 0.009415 0.000703 -0.005230 -0.008840 1Rh 5dyz 0.008691 -0.008979 -0.001104 0.007569 0.006467 -0.004256 1Rh 5dx2y2 -0.011175 0.034761 -0.022888 0.000954 0.017674 0.014589 1Rh 5dxy 0.003498 0.020927 -0.007093 0.014421 -0.004100 0.002478 1Rh 1f0 0.000406 0.000158 -0.000508 0.000307 0.000512 0.000640 1Rh 1f+1 -0.000527 -0.000043 0.000279 0.001195 -0.000947 -0.000389 1Rh 1f-1 -0.000772 -0.000329 0.000064 0.001236 0.000986 0.000082 1Rh 1f+2 0.000431 -0.000332 0.001358 -0.000840 -0.000636 0.000834 1Rh 1f-2 -0.000309 -0.000161 0.000546 0.001105 0.000495 0.001324 1Rh 1f+3 -0.000579 -0.000297 -0.000087 0.000411 0.000069 -0.002055 1Rh 1f-3 -0.000543 -0.000262 0.000054 0.000105 0.000549 0.001178 2C 1s 0.007356 0.010616 0.004557 -0.007810 0.003260 0.000037 2C 2s 0.016149 0.024501 0.010217 -0.017827 0.007211 0.000315 2C 3s -0.033348 -0.087836 -0.023811 0.054254 -0.017073 -0.006612 2C 4s -0.018402 0.210091 -0.007993 -0.079963 0.014521 0.028447 2C 5s -0.899915 -2.515531 -0.498246 1.194994 -0.535959 -0.046445 2C 1pz 0.021471 0.061245 0.055734 -0.083670 -0.054930 -0.043089 2C 1px -0.031224 0.005896 -0.079105 0.099320 0.075955 -0.033368 2C 1py 0.016386 0.023980 -0.012955 0.007811 0.068727 0.104127 2C 2pz 0.002305 0.005929 0.012094 -0.022020 -0.010795 -0.019761 2C 2px -0.021774 0.001419 -0.020212 0.022704 0.020918 -0.001349 2C 2py -0.001295 0.003600 -0.008340 0.004394 0.017323 0.026016 2C 3pz -0.203710 -0.197977 0.210768 -0.245774 -0.542140 -0.193057 2C 3px 0.033353 -0.107644 -0.654562 0.842221 0.477602 -0.485823 2C 3py -0.044408 -0.297546 -0.129409 0.273572 0.307139 0.644376 2C 1dz2 0.002316 0.002276 0.001758 -0.002523 -0.000186 -0.000919 2C 1dxz -0.001493 0.001611 -0.006006 0.006232 0.004241 -0.006484 2C 1dyz 0.001696 0.004109 0.004596 -0.007374 -0.001375 0.001520 2C 1dx2y2 -0.001033 -0.000337 0.006525 -0.007562 -0.007375 0.001323 2C 1dxy -0.000876 -0.000147 -0.003047 0.003805 0.006548 0.005423 2C 2dz2 -0.019496 -0.029091 -0.007311 0.015875 -0.013443 -0.012606 2C 2dxz -0.020217 -0.020625 -0.025987 0.041711 0.005107 -0.044086 2C 2dyz -0.011047 -0.046128 -0.001477 0.012654 -0.029775 -0.007376 2C 2dx2y2 0.018586 0.021263 0.041692 -0.055962 -0.040345 -0.014549 2C 2dxy 0.001879 -0.017878 -0.025550 0.032605 0.037268 0.038181 2C 1f0 0.001125 0.002740 0.004317 -0.005687 -0.005631 -0.003999 2C 1f+1 0.000245 -0.001246 -0.000853 0.000795 0.000810 0.003071 2C 1f-1 -0.001577 -0.001186 -0.002753 0.003924 0.002161 0.000458 2C 1f+2 -0.002206 -0.004452 -0.002682 0.005169 0.001842 -0.001223 2C 1f-2 0.000308 0.005075 0.000310 -0.001613 0.000536 -0.002240 2C 1f+3 -0.002965 -0.006608 -0.000986 0.003303 -0.003858 -0.005104 2C 1f-3 0.001084 -0.001382 0.001580 -0.002194 -0.002564 0.001373 3C 1s 0.003634 0.011584 0.001766 0.001254 0.000167 0.008109 3C 2s 0.008038 0.026558 0.003873 0.002729 0.000580 0.018631 3C 3s -0.016570 -0.090828 -0.008101 -0.003916 -0.009584 -0.061890 3C 4s -0.017444 0.201263 -0.025658 -0.023071 0.051040 0.132446 3C 5s -0.517185 -2.598484 0.129608 -0.155776 -0.285866 -1.258116 3C 1pz 0.053588 0.018900 0.098946 0.091999 0.010804 0.000086 3C 1px -0.110891 0.057343 -0.071085 -0.032693 -0.121145 -0.017348 3C 1py -0.037815 -0.041841 0.000627 0.018609 -0.066483 -0.051544 3C 2pz -0.002899 0.001087 0.014416 0.006815 0.003255 0.014240 3C 2px -0.031674 0.008384 -0.019550 -0.008721 -0.030599 0.011306 3C 2py 0.005903 -0.005710 0.002838 0.026189 -0.024164 -0.036370 3C 3pz 0.225254 -0.296116 0.739286 0.598961 0.112523 -0.081983 3C 3px -0.579373 0.132254 -0.519090 -0.308600 -0.896352 -0.593380 3C 3py -0.055011 0.398022 -0.024691 0.156330 -0.354435 0.029941 3C 1dz2 0.001595 -0.001226 -0.000498 -0.001460 0.002232 -0.000387 3C 1dxz -0.007955 0.004336 -0.008067 -0.003300 -0.011726 -0.004841 3C 1dyz -0.005426 -0.002344 -0.006972 -0.004546 -0.003886 -0.006256 3C 1dx2y2 -0.000400 -0.002994 0.003554 0.003469 -0.001158 -0.002872 3C 1dxy 0.002854 -0.002793 0.004411 0.002554 0.000553 -0.003384 3C 2dz2 0.008266 0.007131 -0.005119 -0.005383 0.019554 0.014203 3C 2dxz -0.067875 0.002614 -0.035976 -0.015778 -0.070169 -0.026241 3C 2dyz -0.016485 0.051698 -0.028616 -0.024207 -0.009833 0.032797 3C 2dx2y2 0.020357 0.033317 0.034679 0.041186 -0.013438 -0.000316 3C 2dxy 0.014706 0.028549 0.028154 0.030286 0.003839 0.017079 3C 1f0 0.001910 0.004795 0.004383 0.005229 -0.001420 0.001164 3C 1f+1 0.005401 -0.000281 0.004099 0.003252 0.004006 0.000289 3C 1f-1 0.001890 0.003531 -0.000917 -0.001725 0.003135 0.003710 3C 1f+2 0.000682 -0.007200 0.000093 0.000377 0.000156 -0.003906 3C 1f-2 -0.002833 -0.002969 -0.001821 -0.001341 -0.002720 -0.001925 3C 1f+3 -0.003820 -0.000522 -0.000584 0.000986 -0.005134 -0.003372 3C 1f-3 -0.005029 0.003715 -0.003564 -0.002345 -0.004705 0.001219 4C 1s 0.000646 -0.003796 0.002138 0.000204 -0.002927 -0.000600 4C 2s 0.001620 -0.008370 0.005552 -0.000176 -0.006366 -0.000999 4C 3s -0.014678 0.005794 -0.025109 0.012578 0.008219 -0.001597 4C 4s 0.067273 0.145619 0.075482 -0.109242 0.044378 0.051901 4C 5s 0.352127 0.943464 -0.341471 0.039288 0.098494 -0.275260 4C 1pz -0.014505 -0.026221 -0.003482 0.008679 -0.005979 0.023967 4C 1px -0.018553 -0.004776 -0.021237 0.023402 0.017119 0.001801 4C 1py -0.012957 -0.011194 -0.018792 0.023017 -0.015222 -0.026288 4C 2pz -0.051616 -0.089930 -0.034537 0.074823 -0.024280 -0.010924 4C 2px -0.016299 -0.003130 -0.019698 -0.000558 -0.003490 -0.016420 4C 2py -0.017191 -0.052092 -0.043331 0.074029 -0.019924 -0.012532 4C 3pz -0.102712 -0.419400 -0.196649 0.256090 -0.114387 0.191796 4C 3px -0.329082 0.044872 0.043542 -0.170652 -0.083038 0.312334 4C 3py -0.259022 -0.190957 -0.084620 -0.006395 -0.277423 -0.181412 4C 1dz2 -0.000714 0.000984 -0.002826 0.002159 0.003959 0.002294 4C 1dxz 0.001270 0.000026 0.002178 -0.003604 -0.003750 0.000699 4C 1dyz 0.000961 0.004812 0.003040 -0.004954 -0.000308 0.000235 4C 1dx2y2 0.000979 0.001123 0.003960 -0.003894 -0.000392 0.002171 4C 1dxy 0.002096 0.002265 0.004879 -0.005709 -0.001683 0.003384 4C 2dz2 -0.006211 0.014184 0.002664 0.003557 0.015063 0.014856 4C 2dxz 0.008761 0.003050 0.016505 -0.025920 -0.014159 0.010157 4C 2dyz 0.002850 0.024639 0.008437 -0.016484 -0.000813 0.016309 4C 2dx2y2 0.005301 -0.000366 -0.012489 0.007121 -0.000213 -0.002723 4C 2dxy 0.010514 0.012975 0.015264 -0.026048 -0.024230 -0.014885 4C 1f0 -0.000635 -0.001064 0.001794 -0.001720 -0.002648 -0.001270 4C 1f+1 -0.000988 -0.003063 -0.001358 0.002322 0.000449 0.000946 4C 1f-1 -0.000541 -0.000869 -0.000217 0.000367 -0.000291 0.000048 4C 1f+2 0.000852 0.002494 -0.000895 0.000842 0.000931 -0.002485 4C 1f-2 -0.000632 0.000238 -0.000871 0.000809 -0.000218 -0.002658 4C 1f+3 0.000284 0.000194 -0.001320 0.001492 0.001531 0.000663 4C 1f-3 -0.001277 -0.002514 0.000512 0.001008 -0.000550 -0.000694 5C 1s -0.000045 -0.004704 0.002073 -0.000546 0.000112 -0.001771 5C 2s 0.000176 -0.010389 0.005318 -0.000898 0.000306 -0.003452 5C 3s -0.007744 0.007230 -0.018725 -0.007109 -0.000281 -0.002133 5C 4s 0.067183 0.159476 0.071221 0.091921 0.026441 0.079397 5C 5s 0.125930 1.019376 -0.577251 -0.054519 -0.072453 -0.026476 5C 1pz 0.004953 -0.016299 -0.014943 -0.010536 0.014619 -0.017752 5C 1px -0.019190 -0.007441 -0.022855 -0.002280 -0.018869 -0.025516 5C 1py 0.000798 0.027206 -0.017854 -0.012482 -0.003319 0.026544 5C 2pz -0.028830 -0.041132 -0.023080 0.002890 -0.023045 -0.069876 5C 2px 0.003265 -0.051657 -0.030770 0.000980 0.044243 -0.046833 5C 2py 0.034589 0.081503 0.019498 0.033563 0.015299 0.078925 5C 3pz -0.029389 -0.232752 -0.101890 -0.248371 -0.011509 -0.141181 5C 3px -0.098285 -0.280645 0.080804 0.104818 0.356250 0.232621 5C 3py 0.064960 0.401929 -0.225537 -0.162836 0.096426 0.305201 5C 1dz2 -0.002122 -0.001572 -0.005274 -0.003205 -0.001480 -0.003150 5C 1dxz 0.000640 -0.000283 -0.000480 -0.000473 0.001494 -0.000348 5C 1dyz 0.000215 -0.004764 -0.001101 -0.000695 -0.000495 -0.003819 5C 1dx2y2 0.003263 -0.000924 0.003263 0.000635 0.003353 0.002081 5C 1dxy -0.005450 -0.000267 -0.004621 -0.001604 -0.006886 -0.003819 5C 2dz2 -0.022267 -0.003123 -0.002428 -0.004569 -0.018526 -0.002770 5C 2dxz 0.033724 -0.008437 0.014037 0.013730 0.031132 -0.001045 5C 2dyz 0.007715 -0.031640 -0.003166 -0.009531 0.009040 -0.009428 5C 2dx2y2 0.006226 -0.018210 -0.012801 -0.015365 0.023839 0.009340 5C 2dxy -0.044063 0.006378 -0.027236 -0.023973 -0.038541 0.008303 5C 1f0 0.001129 -0.001421 0.000684 0.000358 0.000930 -0.000822 5C 1f+1 0.000368 -0.001789 0.000421 -0.000837 -0.000689 -0.000633 5C 1f-1 0.000165 -0.000179 -0.002328 -0.002243 0.001583 0.000576 5C 1f+2 -0.001075 0.001004 -0.000904 0.000896 -0.001824 -0.000890 5C 1f-2 -0.000578 0.003087 -0.000949 -0.000631 -0.001127 0.001009 5C 1f+3 -0.001987 -0.002152 -0.000928 -0.001221 -0.002851 -0.002552 5C 1f-3 -0.000508 0.003125 -0.002631 -0.001651 -0.000672 0.000200 6C 1s -0.000171 -0.004717 0.002148 0.000365 0.000170 0.001699 6C 2s -0.000665 -0.010403 0.005458 0.000458 0.000424 0.003301 6C 3s 0.008231 0.006972 -0.018285 0.008147 -0.000259 0.002120 6C 4s -0.062146 0.162389 0.063809 -0.093147 0.024342 -0.078119 6C 5s -0.081581 1.022908 -0.578624 0.104263 -0.074510 0.035371 6C 1pz 0.005317 0.016235 0.013368 -0.010288 -0.014429 -0.015616 6C 1px -0.019127 0.008295 0.022308 -0.003952 0.017392 -0.026072 6C 1py -0.000383 -0.027192 0.016923 -0.013586 0.004116 0.026693 6C 2pz -0.029016 0.042538 0.021807 0.002203 0.021310 -0.068714 6C 2px 0.007649 0.051162 0.030086 -0.000342 -0.044043 -0.045018 6C 2py 0.033146 -0.083168 -0.016151 0.032956 -0.013075 0.078216 6C 3pz -0.027689 0.237212 0.081395 -0.241704 0.006344 -0.130161 6C 3px -0.073832 0.280588 -0.082322 0.118932 -0.337542 0.248982 6C 3py 0.055545 -0.404635 0.214844 -0.178271 -0.084355 0.307038 6C 1dz2 0.002155 -0.001689 -0.005019 0.003460 -0.001390 0.003108 6C 1dxz -0.000662 -0.000258 -0.000421 0.000423 0.001454 0.000252 6C 1dyz -0.000329 -0.004752 -0.001038 0.000700 -0.000478 0.003821 6C 1dx2y2 -0.003401 -0.000793 0.003230 -0.000932 0.003161 -0.002239 6C 1dxy 0.005555 -0.000530 -0.004488 0.002026 -0.006519 0.004142 6C 2dz2 0.022404 -0.004063 -0.002048 0.004916 -0.017723 0.003472 6C 2dxz -0.035203 -0.006986 0.013025 -0.014952 0.030106 0.000011 6C 2dyz -0.009209 -0.031288 -0.002514 0.009172 0.008742 0.008978 6C 2dx2y2 -0.007144 -0.017938 -0.011630 0.015083 0.022357 -0.010772 6C 2dxy 0.045922 0.004527 -0.025362 0.025733 -0.037782 -0.007143 6C 1f0 0.001243 0.001370 -0.000665 0.000419 -0.000953 -0.000796 6C 1f+1 0.000412 0.001775 -0.000472 -0.000772 0.000644 -0.000652 6C 1f-1 0.000199 0.000185 0.002147 -0.002287 -0.001526 0.000707 6C 1f+2 -0.001131 -0.000941 0.000987 0.000724 0.001732 -0.001009 6C 1f-2 -0.000784 -0.003044 0.000898 -0.000685 0.001109 0.001004 6C 1f+3 -0.001927 0.002248 0.000853 -0.001302 0.002635 -0.002654 6C 1f-3 -0.000654 -0.003079 0.002558 -0.001859 0.000596 0.000158 7C 1s -0.000796 -0.003754 0.002087 -0.000318 -0.002845 0.000692 7C 2s -0.001967 -0.008272 0.005476 -0.000124 -0.006191 0.001206 7C 3s 0.015086 0.005312 -0.025798 -0.011217 0.008070 0.000968 7C 4s -0.062932 0.146820 0.083125 0.105520 0.041431 -0.050316 7C 5s -0.306129 0.954039 -0.342050 -0.019800 0.103214 0.277813 7C 1pz -0.013259 0.026715 0.004435 0.008946 0.006876 0.023830 7C 1px -0.018132 0.005100 0.022392 0.022348 -0.016526 0.001847 7C 1py -0.013250 0.011674 0.019725 0.021161 0.014236 -0.026058 7C 2pz -0.048658 0.091477 0.038996 0.072063 0.024466 -0.011010 7C 2px -0.015831 0.003625 0.019857 -0.000917 0.002613 -0.016814 7C 2py -0.016531 0.052504 0.047974 0.071645 0.019281 -0.011655 7C 3pz -0.085942 0.421148 0.213548 0.245455 0.124611 0.189604 7C 3px -0.328474 -0.031950 -0.057359 -0.163546 0.085385 0.311992 7C 3py -0.256709 0.203263 0.078725 -0.020081 0.269755 -0.188007 7C 1dz2 0.000692 0.000985 -0.002925 -0.002046 0.003768 -0.002398 7C 1dxz -0.001253 0.000005 0.002287 0.003418 -0.003614 -0.000638 7C 1dyz -0.000804 0.004828 0.003361 0.004858 -0.000246 -0.000199 7C 1dx2y2 -0.001002 0.001126 0.004133 0.003606 -0.000399 -0.002082 7C 1dxy -0.002076 0.002306 0.005193 0.005427 -0.001734 -0.003359 7C 2dz2 0.006552 0.013930 0.002605 -0.003763 0.013964 -0.014878 7C 2dxz -0.009099 0.002993 0.017268 0.024061 -0.013812 -0.009696 7C 2dyz -0.002105 0.024680 0.009596 0.016110 -0.001579 -0.015823 7C 2dx2y2 -0.005220 -0.000219 -0.012710 -0.006475 -0.000092 0.002523 7C 2dxy -0.009585 0.012849 0.016261 0.024976 -0.022747 0.015583 7C 1f0 -0.000629 0.001118 -0.001870 -0.001654 0.002498 -0.001324 7C 1f+1 -0.000852 0.003057 0.001478 0.002249 -0.000346 0.000982 7C 1f-1 -0.000498 0.000880 0.000199 0.000294 0.000328 0.000035 7C 1f+2 0.000724 -0.002533 0.000863 0.000678 -0.000947 -0.002473 7C 1f-2 -0.000657 -0.000219 0.000909 0.000733 0.000145 -0.002696 7C 1f+3 0.000265 -0.000230 0.001442 0.001476 -0.001487 0.000694 7C 1f-3 -0.001173 0.002554 -0.000453 0.001006 0.000561 -0.000724 8C 1s -0.003227 0.011802 0.001533 -0.001212 -0.000054 -0.007993 8C 2s -0.007105 0.027047 0.003355 -0.002636 0.000059 -0.018378 8C 3s 0.013381 -0.092049 -0.007014 0.003745 -0.007544 0.061642 8C 4s 0.024909 0.201542 -0.024598 0.024281 0.045306 -0.134338 8C 5s 0.429426 -2.627734 0.159740 0.119109 -0.244078 1.249753 8C 1pz 0.053800 -0.021835 -0.091307 0.095233 -0.010347 -0.002152 8C 1px -0.115233 -0.052468 0.069355 -0.040876 0.115198 -0.023341 8C 1py -0.037421 0.043417 0.001155 0.016165 0.063247 -0.055930 8C 2pz -0.003190 -0.001257 -0.013909 0.007742 -0.002449 0.014261 8C 2px -0.032222 -0.007206 0.018583 -0.010512 0.029746 0.009544 8C 2py 0.006265 0.005688 -0.001109 0.024999 0.022519 -0.038294 8C 3pz 0.243100 0.280348 -0.692898 0.634210 -0.110699 -0.093062 8C 3px -0.604100 -0.102517 0.507021 -0.363742 0.839998 -0.633508 8C 3py -0.074944 -0.396982 0.047766 0.130397 0.342581 -0.003803 8C 1dz2 -0.001539 -0.001151 -0.000451 0.001433 0.001999 0.000263 8C 1dxz 0.008273 0.003945 -0.007850 0.004071 -0.011076 0.005465 8C 1dyz 0.005467 -0.002612 -0.006609 0.004948 -0.003620 0.006308 8C 1dx2y2 0.000210 -0.002991 0.003351 -0.003589 -0.000912 0.002943 8C 1dxy -0.003022 -0.002689 0.004299 -0.002896 0.000690 0.003355 8C 2dz2 -0.007346 0.007773 -0.005076 0.005228 0.017680 -0.015400 8C 2dxz 0.069320 -0.000369 -0.034214 0.019061 -0.066935 0.029728 8C 2dyz 0.019271 0.051063 -0.027207 0.025882 -0.010401 -0.032387 8C 2dx2y2 -0.019897 0.034081 0.031203 -0.041058 -0.012133 0.002007 8C 2dxy -0.014775 0.029304 0.026200 -0.031266 0.003718 -0.016197 8C 1f0 0.001893 -0.004910 -0.004002 0.005276 0.001270 0.000961 8C 1f+1 0.005497 0.000204 -0.003782 0.003445 -0.003858 0.000362 8C 1f-1 0.001757 -0.003587 0.000847 -0.001691 -0.002918 0.003883 8C 1f+2 0.000974 0.007162 -0.000081 0.000406 -0.000260 -0.003830 8C 1f-2 -0.002786 0.003227 0.001687 -0.001435 0.002591 -0.002122 8C 1f+3 -0.003792 0.000776 0.000598 0.000808 0.004779 -0.003695 8C 1f-3 -0.005343 -0.003445 0.003411 -0.002658 0.004609 0.000944 9C 1s -0.007058 0.010842 0.005112 0.007606 0.003240 -0.000069 9C 2s -0.015453 0.024997 0.011480 0.017375 0.007168 -0.000379 9C 3s 0.030609 -0.088862 -0.027597 -0.053479 -0.017029 0.006722 9C 4s 0.026393 0.209553 -0.002492 0.082069 0.015116 -0.028882 9C 5s 0.811828 -2.543811 -0.576853 -1.173401 -0.538343 0.051897 9C 1pz 0.018611 -0.060976 -0.061072 -0.082590 0.051857 -0.045080 9C 1px -0.031890 -0.006134 0.082482 0.092793 -0.073226 -0.032132 9C 1py 0.017304 -0.025368 0.014164 0.009932 -0.064045 0.105683 9C 2pz 0.002299 -0.005840 -0.013790 -0.022348 0.009607 -0.019585 9C 2px -0.021725 -0.000823 0.020604 0.020825 -0.020028 -0.000869 9C 2py -0.001443 -0.003822 0.008610 0.004284 -0.016664 0.027367 9C 3pz -0.202916 0.209607 -0.227739 -0.246031 0.522420 -0.205206 9C 3px 0.033110 0.095015 0.694980 0.793961 -0.465214 -0.479820 9C 3py -0.019476 0.293866 0.152525 0.282323 -0.274590 0.648328 9C 1dz2 -0.002209 0.002309 0.001914 0.002462 -0.000140 0.000871 9C 1dxz 0.001652 0.001606 -0.006375 -0.005927 0.004413 0.006431 9C 1dyz -0.001552 0.004121 0.004988 0.007063 -0.001293 -0.001355 9C 1dx2y2 0.001080 -0.000461 0.006909 0.007240 -0.007230 -0.000940 9C 1dxy 0.000744 -0.000075 -0.002993 -0.003475 0.005946 -0.005620 9C 2dz2 0.018501 -0.029481 -0.008077 -0.014918 -0.012711 0.012202 9C 2dxz 0.020357 -0.020971 -0.028162 -0.039305 0.006488 0.043668 9C 2dyz 0.009946 -0.046771 -0.002884 -0.012973 -0.029112 0.008666 9C 2dx2y2 -0.017432 0.021532 0.044799 0.054173 -0.039234 0.017828 9C 2dxy -0.003660 -0.017172 -0.026626 -0.031295 0.033660 -0.039017 9C 1f0 0.000935 -0.002722 -0.004624 -0.005568 0.005332 -0.004280 9C 1f+1 0.000392 0.001141 0.000804 0.000679 -0.000552 0.003034 9C 1f-1 -0.001520 0.001266 0.002953 0.003771 -0.002053 0.000626 9C 1f+2 -0.002088 0.004680 0.002967 0.005066 -0.001741 -0.001086 9C 1f-2 0.000046 -0.004953 -0.000382 -0.001585 -0.000664 -0.002245 9C 1f+3 -0.002858 0.006617 0.001241 0.003199 0.003541 -0.005232 9C 1f-3 0.001049 0.001651 -0.001591 -0.001906 0.002679 0.001119 10H 1s 0.003334 0.001914 0.023144 -0.027229 -0.019902 0.012115 10H 2s -0.076845 -0.084636 -0.053070 0.106231 0.041337 0.016098 10H 3s 0.384747 0.800312 1.197103 -1.706420 -0.833276 0.509000 10H 1pz -0.009433 -0.011552 -0.013908 0.020985 0.007941 -0.005830 10H 1px 0.011825 0.017828 0.022031 -0.033092 -0.016119 0.005453 10H 1py -0.003682 -0.005164 -0.005405 0.008868 0.005951 0.003674 11H 1s -0.000155 0.002496 -0.005565 0.005888 -0.000003 -0.014903 11H 2s 0.018723 -0.059709 -0.033922 0.035569 0.031343 0.090366 11H 3s 0.091079 0.783400 -0.086155 -0.082881 -0.088990 -1.085067 11H 1pz -0.001039 -0.012083 0.001798 -0.000231 -0.002128 0.015490 11H 1px 0.000263 -0.013088 -0.005425 0.008913 0.006516 0.015451 11H 1py 0.000174 0.008579 -0.001506 0.000486 -0.000299 -0.012460 12H 1s 0.000407 -0.001044 -0.013224 0.016580 0.017679 0.004915 12H 2s -0.011891 -0.046477 0.034189 -0.021800 -0.115435 -0.136695 12H 3s 0.233967 0.515005 -0.530993 0.536223 1.227987 0.854240 12H 1pz 0.001155 0.002144 -0.002035 0.002403 0.005385 0.006943 12H 1px -0.001526 -0.005547 0.000728 0.000484 -0.010936 -0.015709 12H 1py -0.005031 -0.012879 0.013233 -0.012025 -0.029136 -0.019253 13H 1s 0.019833 -0.005635 0.025892 0.012475 0.024178 0.013430 13H 2s -0.155029 -0.034523 -0.081734 -0.084952 -0.081009 0.014768 13H 3s 1.322028 0.299744 1.346178 0.925008 1.338118 0.811238 13H 1pz -0.025489 -0.006200 -0.018453 -0.013061 -0.022652 -0.010294 13H 1px 0.024311 0.005524 0.021959 0.016773 0.019084 0.007531 13H 1py 0.013362 0.004298 0.011199 0.008613 0.008713 0.004778 14H 1s -0.010877 0.005020 -0.007725 -0.000037 -0.021084 -0.013247 14H 2s 0.084917 -0.104456 -0.033086 -0.051725 0.100379 -0.038358 14H 3s -0.612487 1.004310 -0.131207 0.215398 -1.160327 -0.182882 14H 1pz 0.011583 -0.015294 0.006700 0.000282 0.018060 0.001977 14H 1px 0.014081 -0.022895 -0.003046 -0.008762 0.023150 -0.002550 14H 1py 0.002708 -0.003228 -0.000291 -0.001045 0.003992 0.002258 15H 1s -0.005000 0.002771 -0.011459 -0.009385 -0.000098 -0.001138 15H 2s 0.018804 -0.060697 0.066005 0.093110 -0.046453 -0.102067 15H 3s -0.188225 0.768454 -0.867628 -0.832721 0.216336 0.523976 15H 1pz -0.002286 0.012188 -0.012129 -0.014242 0.006230 0.011617 15H 1px -0.002655 -0.002275 -0.001209 0.001636 -0.008003 -0.008953 15H 1py -0.005613 0.016431 -0.016705 -0.016337 0.002109 0.013704 16H 1s -0.027421 0.008886 -0.015245 0.008079 -0.001985 0.013505 16H 2s -0.033181 -0.007731 -0.039206 0.015849 -0.003002 0.001939 16H 3s -0.860631 0.279130 -0.413098 0.228019 -0.080078 0.489210 16H 1pz 0.022221 -0.008179 0.010785 -0.006830 0.001605 -0.012234 16H 1px -0.002455 0.001981 -0.000490 0.000291 -0.000466 0.001585 16H 1py 0.011118 -0.003069 0.006104 -0.004111 0.001363 -0.004850 17H 1s 0.003663 0.008637 0.010269 -0.008562 0.006101 0.009079 17H 2s 0.013002 -0.003496 0.007164 -0.000020 0.018797 -0.003870 17H 3s 0.083680 0.274017 0.344673 -0.318382 0.114578 0.378782 17H 1pz 0.002127 0.004467 0.005324 -0.005159 0.001632 0.005878 17H 1px 0.002502 0.006472 0.007223 -0.006515 0.002022 0.006100 17H 1py -0.004180 -0.003947 -0.007183 0.006308 -0.001944 -0.005268 18H 1s -0.003273 0.008687 0.010934 0.007851 0.005994 -0.009490 18H 2s -0.012613 -0.002740 0.007071 -0.000737 0.018812 0.001890 18H 3s -0.070705 0.274166 0.368977 0.296375 0.107984 -0.387091 18H 1pz 0.002039 -0.004568 -0.005892 -0.004962 -0.001629 0.006054 18H 1px 0.002276 -0.006483 -0.007745 -0.006073 -0.001982 0.006178 18H 1py -0.003929 0.003872 0.007420 0.005657 0.001859 -0.005196 19H 1s 0.027664 0.008000 -0.015423 -0.007054 -0.002490 -0.013222 19H 2s 0.033242 -0.008438 -0.039698 -0.013664 -0.003001 -0.001931 19H 3s 0.868585 0.251353 -0.416757 -0.199111 -0.100808 -0.480955 19H 1pz 0.022143 0.007366 -0.010811 -0.005976 -0.002087 -0.011884 19H 1px -0.002693 -0.001949 0.000586 0.000282 0.000541 0.001619 19H 1py 0.011647 0.002849 -0.006478 -0.003830 -0.001627 -0.004965 20H 1s 0.005244 0.002493 -0.010802 0.009887 -0.000185 0.000867 20H 2s -0.022126 -0.060179 0.058968 -0.092687 -0.042380 0.106532 20H 3s 0.226991 0.758652 -0.807238 0.863063 0.189623 -0.556992 20H 1pz -0.002932 -0.012121 0.011105 -0.014471 -0.005622 0.012297 20H 1px -0.002565 0.002572 0.001245 0.001415 0.007420 -0.009569 20H 1py -0.006471 -0.016151 0.015565 -0.016899 -0.001576 0.014062 21H 1s 0.011258 0.004522 -0.007811 0.001193 -0.019648 0.014403 21H 2s -0.089896 -0.101007 -0.029181 0.048130 0.097149 0.031254 21H 3s 0.661439 0.978918 -0.159368 -0.155251 -1.097974 0.259975 21H 1pz 0.012484 0.014904 -0.006781 0.001367 -0.017341 0.003031 21H 1px 0.015057 0.022267 0.002273 -0.007779 -0.021985 -0.000960 21H 1py 0.002916 0.003171 0.000206 -0.000924 -0.003778 0.002476 22H 1s -0.020448 -0.004644 0.025115 -0.014589 0.022849 -0.014532 22H 2s 0.157223 -0.040973 -0.073870 0.088629 -0.079013 -0.012945 22H 3s -1.343465 0.365926 1.277195 -1.018893 1.265826 -0.859804 22H 1pz -0.025655 0.007312 0.017265 -0.014244 0.021380 -0.011120 22H 1px 0.024792 -0.006708 -0.020675 0.018176 -0.018325 0.008163 22H 1py 0.013634 -0.004955 -0.010558 0.009338 -0.008411 0.004990 23H 1s -0.000766 -0.000757 -0.013893 -0.015793 0.016732 -0.005469 23H 2s 0.012552 -0.047786 0.035087 0.022955 -0.108521 0.140608 23H 3s -0.238670 0.537778 -0.549784 -0.515776 1.158528 -0.889940 23H 1pz 0.001240 -0.002318 0.002177 0.002391 -0.005086 0.007261 23H 1px -0.001571 0.005520 -0.000405 0.000495 0.009747 -0.015754 23H 1py -0.005071 0.013429 -0.013666 -0.011595 0.027754 -0.020312 24H 1s 0.000511 0.002501 -0.005934 -0.005422 0.000565 0.014993 24H 2s -0.022413 -0.058761 -0.038275 -0.038642 0.027596 -0.091365 24H 3s -0.044324 0.785263 -0.071385 0.114120 -0.045045 1.089436 24H 1pz -0.000372 0.012063 -0.001622 0.000296 0.002655 0.015416 24H 1px 0.001045 0.013156 0.006120 0.009164 -0.005667 0.015929 24H 1py -0.000299 -0.008409 0.001410 0.000094 -0.000159 -0.012259 25H 1s -0.003331 0.001714 0.024504 0.025849 -0.019560 -0.011620 25H 2s 0.074105 -0.086162 -0.057506 -0.102090 0.039363 -0.019558 25H 3s -0.360239 0.796906 1.286158 1.634800 -0.812706 -0.477794 25H 1pz -0.009210 0.011796 0.015070 0.020239 -0.007876 -0.005446 25H 1px 0.011248 -0.017889 -0.023648 -0.031694 0.015629 0.004636 25H 1py -0.003289 0.004979 0.005570 0.008212 -0.005385 0.003944 26O 1s -0.002866 -0.009036 -0.002853 0.005325 -0.001366 -0.002954 26O 2s -0.006879 -0.022351 -0.007204 0.013007 -0.003421 -0.007410 26O 3s 0.010727 0.042325 0.015339 -0.022145 0.007191 0.014285 26O 4s 0.019984 0.043754 0.000690 -0.035281 0.000354 0.015907 26O 5s 0.050622 0.118315 0.137906 -0.024932 0.143157 0.081647 26O 1pz 0.009775 0.056480 -0.021013 0.000128 0.017139 -0.018730 26O 1px -0.008752 -0.016080 -0.017648 0.030951 0.014985 -0.009271 26O 1py 0.008799 0.030077 -0.013490 0.003161 0.022314 0.025940 26O 2pz 0.006246 0.048370 -0.021023 0.001609 0.017268 -0.012191 26O 2px 0.006228 -0.013340 -0.015993 0.021942 0.012387 -0.021560 26O 2py 0.008909 0.026823 -0.012174 0.000450 0.017961 0.016561 26O 3pz 0.003941 0.104610 -0.020514 -0.010030 0.024532 -0.052428 26O 3px -0.063382 0.006762 -0.052070 0.030523 -0.060173 0.016322 26O 3py -0.002575 0.061168 -0.040473 0.016508 0.028160 0.073868 26O 1dz2 0.000471 -0.000539 0.000492 0.000016 0.000078 0.000157 26O 1dxz -0.000035 0.000120 -0.000257 0.000287 0.000444 -0.000650 26O 1dyz -0.000241 -0.000275 0.000210 0.000103 0.000069 -0.000224 26O 1dx2y2 -0.000580 0.000618 -0.000281 -0.000047 -0.000687 0.000189 26O 1dxy -0.000761 0.000314 -0.000662 0.000355 0.000461 0.000663 26O 2dz2 0.001792 -0.000869 0.002141 -0.002910 -0.000338 0.001936 26O 2dxz -0.000177 -0.000014 -0.002311 0.003249 0.002822 -0.001099 26O 2dyz 0.000075 0.002978 0.004115 -0.005880 -0.000889 0.001793 26O 2dx2y2 -0.002634 0.002405 -0.001549 0.001507 0.004139 0.002114 26O 2dxy -0.002389 0.002129 -0.000792 0.000405 0.004843 0.002578 26O 1f0 -0.000202 -0.000131 -0.000034 0.000108 0.000013 -0.000347 26O 1f+1 -0.000092 0.000355 -0.000059 -0.000215 -0.000079 -0.000159 26O 1f-1 0.000054 0.000134 -0.000036 -0.000151 0.000115 -0.000061 26O 1f+2 0.000088 0.000100 0.000281 -0.000278 -0.000125 -0.000074 26O 1f-2 0.000187 0.000261 -0.000138 -0.000116 0.000041 0.000109 26O 1f+3 0.000058 0.000347 -0.000072 -0.000196 -0.000013 -0.000077 26O 1f-3 -0.000182 0.000080 0.000000 -0.000149 0.000187 0.000346 27O 1s 0.000630 -0.010414 -0.000738 0.001991 -0.003386 -0.009451 27O 2s 0.002052 -0.025981 -0.001801 0.005126 -0.007877 -0.023620 27O 3s -0.010304 0.052088 0.001969 -0.012838 0.008413 0.047740 27O 4s 0.029512 0.030728 0.012656 0.012253 0.053744 0.021879 27O 5s -0.158889 0.306369 0.023721 -0.120489 -0.229728 0.243974 27O 1pz 0.012602 0.034722 0.008808 0.028655 0.013531 0.005625 27O 1px -0.035583 0.011411 -0.022533 -0.012737 -0.028857 -0.001638 27O 1py -0.008407 -0.051581 0.029007 0.019945 -0.008685 0.002111 27O 2pz 0.005158 0.031523 0.003950 0.021834 0.009622 0.010844 27O 2px -0.014884 0.004222 -0.026246 -0.013017 -0.008623 -0.004938 27O 2py -0.009162 -0.046705 0.025595 0.018850 -0.009442 0.000649 27O 3pz -0.015248 0.063497 0.006445 0.038833 -0.014334 0.012611 27O 3px -0.040021 -0.019019 -0.021479 0.023759 0.039008 -0.038476 27O 3py 0.037130 -0.077864 0.086217 0.035424 -0.022658 -0.039691 27O 1dz2 0.000257 0.000016 0.000007 -0.000454 -0.000049 0.000425 27O 1dxz -0.000703 0.000246 -0.000038 -0.000263 -0.001034 0.000335 27O 1dyz -0.000062 0.000256 -0.000622 -0.000178 0.000339 0.000171 27O 1dx2y2 0.000348 0.000261 -0.000083 0.000495 0.001027 -0.000517 27O 1dxy 0.000916 -0.000244 0.000909 0.000149 0.000391 -0.000508 27O 2dz2 0.003197 -0.004783 0.000059 -0.000228 0.005392 -0.002737 27O 2dxz 0.001144 -0.001329 0.001008 0.001503 0.000490 -0.001213 27O 2dyz -0.001385 -0.001575 -0.004804 -0.002453 -0.001965 -0.007078 27O 2dx2y2 -0.002385 0.004298 -0.000602 -0.002070 -0.003391 0.002076 27O 2dxy 0.003049 -0.004141 0.001765 0.000826 0.003993 -0.001201 27O 1f0 -0.000101 -0.000233 0.000074 0.000081 -0.000153 -0.000156 27O 1f+1 -0.000091 0.000196 0.000235 0.000209 -0.000195 0.000250 27O 1f-1 0.000133 -0.000035 -0.000023 -0.000068 0.000265 0.000028 27O 1f+2 0.000120 0.000139 0.000056 -0.000088 0.000255 0.000008 27O 1f-2 0.000064 -0.000139 0.000222 0.000010 0.000020 0.000148 27O 1f+3 0.000143 0.000467 0.000054 0.000104 0.000260 0.000427 27O 1f-3 0.000106 0.000155 0.000220 0.000204 0.000349 -0.000040 28O 1s -0.002736 -0.010281 0.003115 0.000612 -0.003798 0.005328 28O 2s -0.006957 -0.025528 0.007347 0.001692 -0.009478 0.013341 28O 3s 0.015808 0.049733 -0.008938 -0.005333 0.019598 -0.027331 28O 4s 0.001044 0.036342 -0.041388 0.012942 0.004503 -0.013713 28O 5s 0.055492 0.256118 0.140262 -0.231457 0.097210 -0.078478 28O 1pz 0.004042 0.048268 0.010440 -0.030446 -0.018268 -0.029069 28O 1px -0.010278 0.027474 0.008021 -0.016805 0.004844 0.006197 28O 1py 0.005596 0.028916 -0.009746 -0.012187 0.027459 0.057006 28O 2pz -0.006329 0.045808 0.005026 -0.021638 -0.009447 -0.017555 28O 2px -0.003062 0.028851 0.010885 -0.020978 0.000929 0.001304 28O 2py -0.000321 0.026605 -0.008968 -0.012392 0.022109 0.048183 28O 3pz 0.095698 0.028067 -0.014716 0.014941 -0.043221 -0.110792 28O 3px -0.007086 0.039675 0.043882 -0.085548 0.019411 0.016081 28O 3py 0.069824 0.032623 0.001130 -0.008325 0.035819 0.024341 28O 1dz2 0.000889 -0.000314 0.000432 -0.000581 -0.000352 -0.000141 28O 1dxz -0.000486 -0.000360 0.000457 -0.000437 -0.000186 0.000094 28O 1dyz 0.000481 -0.000255 0.001178 -0.000781 -0.000672 0.000083 28O 1dx2y2 -0.000489 0.000192 -0.000376 0.000380 0.000297 0.000373 28O 1dxy -0.000490 -0.000164 -0.000114 0.000211 -0.000129 0.000439 28O 2dz2 0.000947 0.003636 0.003594 -0.004773 -0.004105 -0.002591 28O 2dxz 0.001233 -0.004177 0.000671 0.004464 -0.002229 -0.001269 28O 2dyz 0.002912 0.002689 0.004172 -0.004871 0.001546 0.004178 28O 2dx2y2 -0.000423 0.002402 0.000497 -0.003692 -0.001025 0.000194 28O 2dxy 0.000978 -0.000035 0.001950 -0.001573 -0.001586 -0.002967 28O 1f0 -0.000040 0.000320 -0.000327 0.000060 0.000154 0.000063 28O 1f+1 0.000024 -0.000056 0.000320 -0.000235 -0.000177 -0.000157 28O 1f-1 -0.000028 0.000173 -0.000351 0.000281 0.000042 -0.000283 28O 1f+2 0.000085 -0.000383 0.000137 0.000273 -0.000206 -0.000126 28O 1f-2 0.000074 -0.000118 0.000373 -0.000196 0.000027 0.000392 28O 1f+3 0.000091 -0.000277 0.000167 0.000175 -0.000154 -0.000180 28O 1f-3 0.000076 -0.000204 -0.000002 0.000031 0.000039 0.000247 29O 1s -0.006208 0.003904 -0.002432 0.001162 0.001774 0.003009 29O 2s -0.016001 0.010133 -0.006036 0.002721 0.004330 0.008298 29O 3s 0.040553 -0.027030 0.011410 -0.002626 -0.007265 -0.029438 29O 4s -0.023162 0.017806 0.008909 -0.016078 -0.011364 0.051389 29O 5s 0.316620 -0.183568 0.068031 0.001606 -0.036723 -0.282867 29O 1pz -0.090126 0.010665 -0.064768 0.043026 -0.015093 0.029177 29O 1px -0.001913 -0.023365 -0.024778 0.026890 -0.007090 -0.046943 29O 1py -0.033192 0.027244 -0.001107 -0.005566 0.004407 0.042932 29O 2pz -0.048847 0.005327 -0.040356 0.025954 -0.008336 0.015657 29O 2px -0.001715 -0.010156 -0.009263 0.013367 -0.007947 -0.026401 29O 2py -0.019981 0.014314 -0.003817 -0.001861 0.003302 0.025379 29O 3pz -0.213405 0.018992 -0.144832 0.085587 -0.045473 0.071201 29O 3px -0.027063 -0.056742 -0.082228 0.070891 -0.001709 -0.097180 29O 3py -0.077901 0.053871 -0.003479 -0.012057 0.014464 0.087638 29O 1dz2 -0.000608 0.000200 -0.000268 -0.000000 -0.000147 0.000587 29O 1dxz 0.000225 -0.000002 0.000331 -0.000211 0.000130 0.000361 29O 1dyz -0.000280 -0.000185 -0.000366 0.000099 -0.000243 -0.000165 29O 1dx2y2 -0.000574 0.000302 -0.000288 0.000145 0.000131 0.000126 29O 1dxy -0.000486 0.000192 -0.000251 0.000055 -0.000029 0.000374 29O 2dz2 -0.008895 0.003335 -0.003669 0.001955 -0.000616 0.006295 29O 2dxz 0.002469 0.001328 0.003249 -0.003041 0.000960 0.002329 29O 2dyz -0.006755 0.000113 -0.005572 0.004639 -0.001242 0.000011 29O 2dx2y2 0.000140 0.002021 0.000970 -0.000606 0.000504 0.000247 29O 2dxy -0.001793 -0.001246 -0.002374 0.002285 -0.000824 -0.000201 29O 1f0 -0.000190 -0.000368 -0.000458 0.000303 -0.000054 -0.000268 29O 1f+1 -0.000506 0.000137 -0.000347 0.000264 -0.000101 0.000061 29O 1f-1 0.000800 -0.000431 0.000225 -0.000160 0.000140 -0.000586 29O 1f+2 -0.000361 0.000141 -0.000217 0.000184 -0.000068 0.000092 29O 1f-2 -0.000303 -0.000245 -0.000461 0.000426 0.000002 -0.000320 29O 1f+3 0.000330 0.000107 0.000226 -0.000143 0.000021 -0.000133 29O 1f-3 0.000199 0.000078 0.000143 -0.000101 0.000041 -0.000100 30O 1s -0.000964 -0.009154 0.004444 0.000305 -0.000545 -0.000518 30O 2s -0.002684 -0.022662 0.010954 0.000803 -0.001492 -0.001400 30O 3s 0.007944 0.043974 -0.020920 -0.002973 0.003853 0.005525 30O 4s -0.005109 0.034374 -0.014970 0.010419 -0.005999 -0.026400 30O 5s 0.158644 0.118946 -0.002010 0.039002 0.230063 0.191378 30O 1pz -0.000338 0.024516 0.019948 0.035817 -0.003689 -0.008265 30O 1px -0.019713 0.044887 0.011049 0.015376 0.001772 0.028173 30O 1py -0.025071 -0.038301 0.008340 0.003410 -0.044796 -0.021781 30O 2pz -0.014756 0.025143 0.010810 0.022496 -0.006895 0.001328 30O 2px -0.001224 0.035861 0.014706 0.019010 0.015897 0.015505 30O 2py -0.005083 -0.041835 0.010341 0.004703 -0.030384 -0.031583 30O 3pz 0.057115 0.050084 0.023951 0.063462 -0.043648 -0.082510 30O 3px 0.008334 0.035079 0.001769 -0.006463 0.051671 0.121818 30O 3py -0.087229 -0.054743 0.037444 0.020058 -0.010314 0.079664 30O 1dz2 0.000400 0.000034 -0.000408 -0.000440 0.000173 0.000375 30O 1dxz -0.000299 -0.000588 0.000013 -0.000220 -0.000003 0.000363 30O 1dyz -0.000945 0.000206 -0.000876 -0.000129 -0.000339 0.000037 30O 1dx2y2 -0.000783 0.000579 -0.000244 0.000334 -0.000399 -0.000843 30O 1dxy -0.000151 0.000834 -0.000731 -0.000220 -0.000297 -0.000564 30O 2dz2 -0.003626 0.000184 -0.000943 0.001028 -0.005890 -0.003204 30O 2dxz -0.001385 -0.000138 -0.000837 -0.001147 -0.005353 -0.002448 30O 2dyz -0.004261 -0.003204 -0.004324 -0.002051 -0.004263 -0.005721 30O 2dx2y2 -0.002116 -0.000703 -0.000853 0.000355 -0.000442 -0.001349 30O 2dxy 0.001431 0.000434 -0.002702 -0.001084 0.005903 0.001606 30O 1f0 0.000081 0.000092 0.000170 0.000057 0.000295 0.000432 30O 1f+1 -0.000072 -0.000137 0.000236 0.000240 -0.000108 -0.000108 30O 1f-1 -0.000158 -0.000127 0.000224 -0.000027 -0.000122 0.000065 30O 1f+2 0.000099 -0.000310 0.000275 -0.000048 -0.000130 0.000008 30O 1f-2 -0.000015 -0.000035 -0.000220 0.000024 -0.000326 -0.000535 30O 1f+3 0.000155 -0.000164 0.000052 -0.000179 0.000059 0.000065 30O 1f-3 -0.000011 -0.000252 0.000394 0.000172 -0.000254 -0.000039 31O 1s 0.000687 -0.009178 0.004480 -0.000690 -0.000610 0.000502 31O 2s 0.002004 -0.022733 0.011041 -0.001749 -0.001643 0.001362 31O 3s -0.006644 0.044202 -0.021003 0.004710 0.003964 -0.005460 31O 4s 0.006512 0.034133 -0.015839 -0.008600 -0.004331 0.026573 31O 5s -0.167242 0.126733 -0.006167 -0.038800 0.219233 -0.196500 31O 1pz -0.000926 -0.024604 -0.017237 0.035713 0.003298 -0.009168 31O 1px -0.021634 -0.044273 -0.010168 0.015431 -0.001414 0.028187 31O 1py -0.023815 0.039540 -0.007752 0.002678 0.042877 -0.024395 31O 2pz -0.015835 -0.024642 -0.009112 0.022243 0.006698 0.000727 31O 2px -0.002188 -0.036040 -0.013437 0.019510 -0.015498 0.016077 31O 2py -0.003127 0.042353 -0.009559 0.004249 0.028450 -0.033516 31O 3pz 0.053302 -0.051672 -0.018779 0.062064 0.040379 -0.085498 31O 3px 0.009908 -0.035847 -0.001729 -0.006866 -0.047030 0.122235 31O 3py -0.083324 0.056612 -0.036508 0.021549 0.012809 0.076865 31O 1dz2 -0.000402 0.000049 -0.000394 0.000460 0.000163 -0.000368 31O 1dxz 0.000250 -0.000600 0.000031 0.000213 -0.000015 -0.000362 31O 1dyz 0.000956 0.000173 -0.000854 0.000195 -0.000331 -0.000027 31O 1dx2y2 0.000823 0.000549 -0.000251 -0.000312 -0.000346 0.000850 31O 1dxy 0.000210 0.000816 -0.000718 0.000271 -0.000262 0.000551 31O 2dz2 0.003742 0.000025 -0.000977 -0.000815 -0.005600 0.003556 31O 2dxz 0.001572 -0.000256 -0.000745 0.001248 -0.005122 0.002590 31O 2dyz 0.004419 -0.003416 -0.004089 0.002266 -0.004061 0.005737 31O 2dx2y2 0.002033 -0.000779 -0.000866 -0.000248 -0.000337 0.001441 31O 2dxy -0.001592 0.000529 -0.002623 0.001130 0.005614 -0.001851 31O 1f0 0.000087 -0.000099 -0.000164 0.000069 -0.000273 0.000441 31O 1f+1 -0.000064 0.000138 -0.000214 0.000245 0.000103 -0.000123 31O 1f-1 -0.000150 0.000134 -0.000224 -0.000013 0.000114 0.000055 31O 1f+2 0.000104 0.000307 -0.000282 -0.000023 0.000139 0.000004 31O 1f-2 -0.000029 0.000040 0.000216 0.000010 0.000305 -0.000541 31O 1f+3 0.000159 0.000158 -0.000066 -0.000167 -0.000050 0.000069 31O 1f-3 -0.000009 0.000251 -0.000380 0.000192 0.000257 -0.000055 32O 1s 0.006360 0.003700 -0.002383 -0.001029 0.001728 -0.003102 32O 2s 0.016395 0.009604 -0.005892 -0.002385 0.004187 -0.008524 32O 3s -0.041583 -0.025636 0.010782 0.001930 -0.006540 0.029810 32O 4s 0.023851 0.016859 0.010325 0.015838 -0.013338 -0.050904 32O 5s -0.324287 -0.173003 0.061845 -0.005916 -0.028397 0.285761 32O 1pz -0.089274 -0.007225 0.066690 0.038884 0.017092 0.026701 32O 1px -0.000291 0.023418 0.026471 0.025208 0.005843 -0.047827 32O 1py -0.036348 -0.025992 0.001718 -0.004616 -0.002781 0.043412 32O 2pz -0.048365 -0.003489 0.041385 0.023389 0.009510 0.014270 32O 2px -0.000865 0.010224 0.010032 0.012561 0.007336 -0.027262 32O 2py -0.021704 -0.013567 0.004244 -0.001480 -0.002366 0.025754 32O 3pz -0.211428 -0.011154 0.148711 0.076268 0.049829 0.064844 32O 3px -0.023199 0.057680 0.086319 0.066144 -0.001692 -0.098207 32O 3py -0.085347 -0.051174 0.005017 -0.009997 -0.010654 0.089466 32O 1dz2 0.000605 0.000189 -0.000244 0.000025 -0.000155 -0.000586 32O 1dxz -0.000240 0.000005 0.000356 0.000193 0.000118 -0.000366 32O 1dyz 0.000308 -0.000179 -0.000386 -0.000077 -0.000236 0.000154 32O 1dx2y2 0.000576 0.000284 -0.000273 -0.000125 0.000137 -0.000134 32O 1dxy 0.000493 0.000177 -0.000242 -0.000038 -0.000031 -0.000375 32O 2dz2 0.008672 0.003034 -0.003433 -0.001496 -0.000794 -0.006198 32O 2dxz -0.002578 0.001377 0.003596 0.002893 0.000985 -0.002328 32O 2dyz 0.007041 0.000079 -0.005934 -0.004282 -0.001353 -0.000169 32O 2dx2y2 -0.000228 0.002030 0.001174 0.000661 0.000533 -0.000254 32O 2dxy 0.001684 -0.001197 -0.002401 -0.002011 -0.000858 0.000133 32O 1f0 -0.000232 0.000343 0.000494 0.000286 0.000064 -0.000232 32O 1f+1 -0.000504 -0.000137 0.000337 0.000224 0.000108 0.000070 32O 1f-1 0.000775 0.000417 -0.000186 -0.000114 -0.000156 -0.000576 32O 1f+2 -0.000377 -0.000148 0.000220 0.000160 0.000078 0.000105 32O 1f-2 -0.000336 0.000243 0.000515 0.000413 0.000003 -0.000301 32O 1f+3 0.000316 -0.000106 -0.000213 -0.000116 -0.000027 -0.000144 32O 1f-3 0.000212 -0.000081 -0.000159 -0.000097 -0.000052 -0.000107 33O 1s 0.002361 -0.010403 0.003085 -0.000812 -0.004023 -0.005210 33O 2s 0.006030 -0.025836 0.007267 -0.002167 -0.010046 -0.013040 33O 3s -0.014026 0.050418 -0.008681 0.005968 0.020816 0.026621 33O 4s 0.000462 0.036398 -0.042150 -0.010501 0.004642 0.014190 33O 5s -0.049142 0.257744 0.151910 0.220289 0.106666 0.072674 33O 1pz 0.001726 -0.047901 -0.012042 -0.030484 0.016158 -0.029468 33O 1px -0.011409 -0.026927 -0.009471 -0.017030 -0.004587 0.006256 33O 1py 0.005288 -0.029267 0.008975 -0.012081 -0.025366 0.058188 33O 2pz -0.008505 -0.045127 -0.006440 -0.022029 0.007994 -0.017496 33O 2px -0.004095 -0.028504 -0.012146 -0.020675 -0.001063 0.001332 33O 2py -0.000711 -0.026774 0.007943 -0.012651 -0.020309 0.049167 33O 3pz 0.092635 -0.031122 0.016660 0.012235 0.039514 -0.112642 33O 3px -0.007976 -0.039422 -0.049291 -0.082418 -0.020519 0.017145 33O 3py 0.069143 -0.034622 0.000529 -0.005950 -0.035407 0.025843 33O 1dz2 -0.000904 -0.000286 0.000453 0.000549 -0.000328 0.000147 33O 1dxz 0.000459 -0.000376 0.000480 0.000396 -0.000161 -0.000080 33O 1dyz -0.000493 -0.000250 0.001212 0.000710 -0.000670 -0.000052 33O 1dx2y2 0.000493 0.000173 -0.000401 -0.000353 0.000275 -0.000381 33O 1dxy 0.000481 -0.000177 -0.000106 -0.000187 -0.000151 -0.000436 33O 2dz2 -0.000734 0.003606 0.003827 0.004597 -0.003862 0.002801 33O 2dxz -0.001312 -0.004088 0.000447 -0.004406 -0.002289 0.001471 33O 2dyz -0.002946 0.002817 0.004466 0.004589 0.001348 -0.004177 33O 2dx2y2 0.000520 0.002356 0.000621 0.003581 -0.000909 -0.000178 33O 2dxy -0.000946 -0.000034 0.002085 0.001532 -0.001470 0.003079 33O 1f0 -0.000052 -0.000322 0.000322 0.000036 -0.000141 0.000070 33O 1f+1 0.000025 0.000058 -0.000334 -0.000219 0.000169 -0.000158 33O 1f-1 -0.000040 -0.000173 0.000367 0.000261 -0.000050 -0.000278 33O 1f+2 0.000096 0.000379 -0.000124 0.000273 0.000207 -0.000137 33O 1f-2 0.000085 0.000113 -0.000384 -0.000169 -0.000011 0.000390 33O 1f+3 0.000099 0.000275 -0.000156 0.000183 0.000148 -0.000186 33O 1f-3 0.000085 0.000200 0.000010 0.000041 -0.000029 0.000246 34O 1s -0.001069 -0.010387 -0.000846 -0.001933 -0.003072 0.009637 34O 2s -0.003161 -0.025890 -0.002087 -0.004985 -0.007098 0.024053 34O 3s 0.012698 0.051615 0.002776 0.012690 0.006896 -0.048174 34O 4s -0.029343 0.032207 0.011576 -0.013221 0.052598 -0.024895 34O 5s 0.179627 0.297894 0.029968 0.122637 -0.229128 -0.233132 34O 1pz 0.011836 -0.035311 -0.006360 0.028031 -0.013064 0.005445 34O 1px -0.037020 -0.009879 0.021558 -0.014738 0.028029 -0.002866 34O 1py -0.006548 0.051677 -0.027928 0.021739 0.009789 0.001245 34O 2pz 0.004324 -0.031812 -0.002225 0.021257 -0.009021 0.010638 34O 2px -0.015574 -0.003605 0.025394 -0.014836 0.008381 -0.005262 34O 2py -0.007277 0.046927 -0.024618 0.020369 0.010304 -0.000264 34O 3pz -0.017110 -0.063043 -0.002494 0.035917 0.013432 0.010438 34O 3px -0.037081 0.020590 0.021436 0.021819 -0.038385 -0.037287 34O 3py 0.038203 0.075956 -0.083022 0.041094 0.021693 -0.040870 34O 1dz2 -0.000244 0.000023 0.000029 0.000443 -0.000069 -0.000430 34O 1dxz 0.000730 0.000219 -0.000034 0.000293 -0.001005 -0.000271 34O 1dyz 0.000075 0.000253 -0.000607 0.000206 0.000322 -0.000197 34O 1dx2y2 -0.000371 0.000278 -0.000106 -0.000494 0.001016 0.000476 34O 1dxy -0.000928 -0.000211 0.000883 -0.000213 0.000405 0.000491 34O 2dz2 -0.003508 -0.004650 0.000083 0.000112 0.005244 0.002456 34O 2dxz -0.001193 -0.001273 0.000841 -0.001506 0.000466 0.001250 34O 2dyz 0.001428 -0.001689 -0.004585 0.002699 -0.001684 0.007108 34O 2dx2y2 0.002787 0.004186 -0.000532 0.002106 -0.003293 -0.001994 34O 2dxy -0.003309 -0.003986 0.001695 -0.000995 0.003859 0.001022 34O 1f0 -0.000088 0.000238 -0.000067 0.000080 0.000145 -0.000173 34O 1f+1 -0.000101 -0.000193 -0.000217 0.000215 0.000192 0.000234 34O 1f-1 0.000135 0.000029 0.000017 -0.000060 -0.000252 0.000043 34O 1f+2 0.000112 -0.000143 -0.000066 -0.000072 -0.000255 0.000031 34O 1f-2 0.000075 0.000136 -0.000219 0.000024 -0.000014 0.000142 34O 1f+3 0.000123 -0.000476 -0.000043 0.000113 -0.000243 0.000444 34O 1f-3 0.000108 -0.000162 -0.000205 0.000217 -0.000345 -0.000027 35O 1s 0.002532 -0.009110 -0.003163 -0.005197 -0.001347 0.003093 35O 2s 0.006055 -0.022528 -0.007963 -0.012687 -0.003370 0.007748 35O 3s -0.009184 0.042595 0.016639 0.021489 0.007098 -0.014861 35O 4s -0.018257 0.044242 0.002820 0.035151 0.000012 -0.016702 35O 5s -0.048607 0.121409 0.138681 0.019428 0.139185 -0.086081 35O 1pz 0.007894 -0.056905 0.020308 -0.002099 -0.016902 -0.018282 35O 1px -0.008223 0.016185 0.018791 0.029419 -0.014382 -0.008697 35O 1py 0.007364 -0.030601 0.014444 0.003475 -0.021472 0.026655 35O 2pz 0.004671 -0.048608 0.020433 -0.000496 -0.016903 -0.011565 35O 2px 0.006608 0.013038 0.016883 0.020781 -0.012561 -0.020884 35O 2py 0.007514 -0.027351 0.012906 0.000633 -0.017666 0.017324 35O 3pz -0.000579 -0.105164 0.018678 -0.012413 -0.026032 -0.052475 35O 3px -0.064875 -0.004039 0.052695 0.026978 0.061203 0.013243 35O 3py -0.004385 -0.061150 0.041572 0.016279 -0.024769 0.073482 35O 1dz2 -0.000497 -0.000516 0.000494 -0.000038 0.000058 -0.000157 35O 1dxz 0.000058 0.000126 -0.000261 -0.000269 0.000469 0.000633 35O 1dyz 0.000230 -0.000280 0.000213 -0.000110 0.000075 0.000237 35O 1dx2y2 0.000625 0.000590 -0.000283 0.000067 -0.000681 -0.000172 35O 1dxy 0.000752 0.000292 -0.000665 -0.000324 0.000420 -0.000658 35O 2dz2 -0.001910 -0.000823 0.002344 0.002753 -0.000387 -0.001888 35O 2dxz 0.000185 -0.000005 -0.002478 -0.003104 0.002738 0.000973 35O 2dyz 0.000032 0.002945 0.004463 0.005654 -0.000872 -0.001664 35O 2dx2y2 0.002686 0.002365 -0.001520 -0.001293 0.003948 -0.002356 35O 2dxy 0.002363 0.002081 -0.000774 -0.000346 0.004726 -0.002735 35O 1f0 -0.000196 0.000138 0.000035 0.000102 -0.000026 -0.000351 35O 1f+1 -0.000110 -0.000350 0.000045 -0.000227 0.000065 -0.000156 35O 1f-1 0.000048 -0.000136 0.000029 -0.000153 -0.000121 -0.000058 35O 1f+2 0.000084 -0.000100 -0.000294 -0.000265 0.000113 -0.000078 35O 1f-2 0.000176 -0.000267 0.000135 -0.000123 -0.000040 0.000117 35O 1f+3 0.000047 -0.000348 0.000051 -0.000213 0.000010 -0.000066 35O 1f-3 -0.000178 -0.000075 -0.000007 -0.000145 -0.000175 0.000352 138 139 140 141 142 143 0.12535 0.13006 0.13445 0.13554 0.14150 0.14813 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s -0.000579 -0.000271 0.001717 -0.002253 0.007136 0.000605 0Rh 2s 0.002034 0.001048 -0.005950 0.008156 -0.024761 -0.001985 0Rh 3s -0.002106 -0.000923 0.006292 -0.008040 0.026131 0.002289 0Rh 4s -0.008810 -0.004589 0.025745 -0.035435 0.107264 0.008523 0Rh 5s 0.005845 0.003837 -0.016289 0.024817 -0.069211 -0.004092 0Rh 6s 0.019624 0.007269 -0.060794 0.075290 -0.246062 -0.025404 0Rh 7s -0.048984 -0.023674 -0.004341 0.185615 1.049320 -0.104309 0Rh 8s 0.056516 0.166853 0.419298 -1.657927 -1.442174 1.028238 0Rh 1pz 0.001950 -0.001039 -0.000556 -0.000214 -0.002585 0.003101 0Rh 1px -0.001662 -0.000092 0.004082 0.003504 0.009093 0.000234 0Rh 1py 0.000413 0.001050 -0.000252 0.003470 0.002622 0.003096 0Rh 2pz -0.006644 0.003555 0.001928 0.000694 0.008743 -0.010664 0Rh 2px 0.005699 0.000304 -0.014040 -0.011937 -0.030783 -0.000919 0Rh 2py -0.001432 -0.003650 0.000899 -0.011863 -0.008892 -0.010638 0Rh 3pz 0.005229 -0.003042 -0.002183 0.000089 -0.005711 0.010156 0Rh 3px -0.005187 -0.000017 0.013505 0.009424 0.020593 0.003036 0Rh 3py 0.001539 0.004222 -0.001424 0.010037 0.006195 0.009903 0Rh 4pz 0.010497 -0.004682 -0.000464 -0.003509 -0.017814 0.010288 0Rh 4px -0.006340 -0.001319 0.013039 0.018632 0.061092 -0.007539 0Rh 4py 0.000921 0.000492 0.001111 0.016092 0.016866 0.011245 0Rh 5pz -0.001975 -0.001635 -0.004941 0.005534 0.008030 0.009963 0Rh 5px -0.003102 0.001851 0.012878 -0.002743 -0.026390 0.020131 0Rh 5py 0.000667 0.010054 -0.005667 0.003543 -0.006018 0.010111 0Rh 6pz 0.002981 0.067682 0.020368 -0.026972 0.063261 -0.010106 0Rh 6px 0.037839 -0.061265 -0.109552 0.022106 -0.118838 -0.304981 0Rh 6py -0.006055 -0.010740 0.030641 -0.094702 -0.016969 -0.010691 0Rh 1dz2 0.001152 -0.001956 -0.002699 -0.003456 -0.013451 0.000877 0Rh 1dxz -0.000242 0.004097 -0.005629 -0.002327 -0.018895 0.003430 0Rh 1dyz -0.001869 -0.007823 -0.002236 0.000190 -0.003043 -0.004002 0Rh 1dx2y2 -0.004467 -0.000107 0.004804 0.009370 0.027774 -0.008783 0Rh 1dxy -0.003827 0.001175 0.003851 0.002312 0.007517 0.007892 0Rh 2dz2 -0.000122 0.000061 0.000078 0.000159 0.000644 0.000012 0Rh 2dxz 0.000015 -0.000411 0.000328 0.000079 0.000866 -0.000066 0Rh 2dyz -0.000229 0.000505 0.000029 -0.000042 0.000211 0.000155 0Rh 2dx2y2 0.000126 -0.000175 -0.000271 -0.000543 -0.001170 0.000343 0Rh 2dxy 0.000175 -0.000094 -0.000018 -0.000135 -0.000412 -0.000328 0Rh 3dz2 -0.001472 0.003111 0.004310 0.005309 0.020473 -0.001522 0Rh 3dxz 0.000399 -0.005457 0.008373 0.003685 0.029032 -0.005712 0Rh 3dyz 0.004137 0.011455 0.003724 -0.000140 0.004343 0.006296 0Rh 3dx2y2 0.007172 0.000851 -0.007131 -0.014019 -0.042950 0.013822 0Rh 3dxy 0.005886 -0.001669 -0.006561 -0.003483 -0.011237 -0.012368 0Rh 4dz2 -0.003142 0.003518 0.004553 0.006950 0.026803 -0.001169 0Rh 4dxz 0.000564 -0.010784 0.011784 0.004400 0.037243 -0.005552 0Rh 4dyz -0.000118 0.017034 0.003483 -0.000693 0.006963 0.007357 0Rh 4dx2y2 0.007720 -0.002012 -0.009833 -0.020132 -0.053905 0.016473 0Rh 4dxy 0.007625 -0.002929 -0.005447 -0.004753 -0.015804 -0.015083 0Rh 5dz2 0.002689 0.003745 0.010167 0.003211 0.011189 -0.002117 0Rh 5dxz -0.001311 0.006833 0.008040 0.000741 0.016460 -0.013059 0Rh 5dyz 0.019751 0.007223 0.007605 0.001326 -0.000663 0.012695 0Rh 5dx2y2 0.012429 0.011768 -0.011540 -0.000533 -0.028147 0.019297 0Rh 5dxy 0.004537 0.002077 -0.016429 -0.004766 -0.000845 -0.015394 0Rh 1f0 -0.000029 0.001495 0.000344 0.002031 -0.000821 0.001339 0Rh 1f+1 -0.000701 0.000065 -0.000225 0.000805 0.000840 0.001023 0Rh 1f-1 -0.001090 0.000016 0.000163 0.002324 0.000273 0.004478 0Rh 1f+2 -0.000596 0.001197 0.000429 -0.000908 0.000995 -0.001795 0Rh 1f-2 0.001242 0.000712 0.000376 0.001422 0.000468 0.002312 0Rh 1f+3 0.001273 -0.001431 -0.000299 -0.001414 0.001106 -0.000289 0Rh 1f-3 -0.000424 0.001491 -0.000619 0.000558 0.000810 0.001707 1Rh 1s -0.000607 0.000187 0.001163 0.002517 0.007139 -0.000639 1Rh 2s 0.002126 -0.000758 -0.003957 -0.009064 -0.024775 0.002106 1Rh 3s -0.002207 0.000620 0.004306 0.009008 0.026140 -0.002410 1Rh 4s -0.009205 0.003330 0.017094 0.039359 0.107327 -0.009052 1Rh 5s 0.006064 -0.003012 -0.010340 -0.027271 -0.069283 0.004472 1Rh 6s 0.020684 -0.004429 -0.042007 -0.084661 -0.246088 0.026466 1Rh 7s -0.046022 0.019579 0.042660 -0.182280 1.049734 0.098303 1Rh 8s 0.024830 -0.168204 -0.006508 1.695327 -1.448725 -1.017212 1Rh 1pz -0.001955 -0.001204 0.000523 -0.000169 0.002645 0.003122 1Rh 1px 0.001643 0.000164 -0.004802 0.002628 -0.009062 0.000286 1Rh 1py -0.000516 0.001010 -0.000524 0.003455 -0.002614 0.003107 1Rh 2pz 0.006664 0.004120 -0.001803 0.000536 -0.008950 -0.010737 1Rh 2px -0.005636 -0.000576 0.016487 -0.008929 0.030677 -0.001096 1Rh 2py 0.001784 -0.003509 0.001751 -0.011822 0.008863 -0.010676 1Rh 3pz -0.005267 -0.003548 0.001865 0.000329 0.005888 0.010229 1Rh 3px 0.005174 0.000792 -0.015340 0.006594 -0.020486 0.003156 1Rh 3py -0.001872 0.004064 -0.000793 0.010159 -0.006170 0.009962 1Rh 4pz -0.010439 -0.005348 0.001109 -0.003705 0.018085 0.010343 1Rh 4px 0.006105 -0.000368 -0.017219 0.015599 -0.061014 -0.007191 1Rh 4py -0.001252 0.000430 -0.004810 0.015480 -0.016824 0.011194 1Rh 5pz 0.001779 -0.001940 0.003121 0.006371 -0.007952 0.010087 1Rh 5px 0.003394 0.002389 -0.011615 -0.005074 0.026553 0.020007 1Rh 5py -0.001093 0.009852 0.005046 0.004778 0.006009 0.010357 1Rh 6pz -0.000460 0.070644 -0.007030 -0.030263 -0.062947 -0.009746 1Rh 6px -0.041043 -0.066677 0.094820 0.041471 0.116634 -0.305767 1Rh 6py 0.005734 -0.010033 -0.010808 -0.099475 0.016316 -0.011454 1Rh 1dz2 0.001163 0.002205 -0.003426 0.002930 -0.013428 -0.000989 1Rh 1dxz -0.000216 -0.003951 -0.006283 0.001077 -0.018918 -0.003231 1Rh 1dyz -0.001832 0.007833 -0.001951 -0.000703 -0.003017 0.003695 1Rh 1dx2y2 -0.004340 -0.000356 0.006846 -0.008361 0.027790 0.008641 1Rh 1dxy -0.003629 -0.001566 0.004373 -0.001544 0.007532 -0.008039 1Rh 2dz2 -0.000127 -0.000074 0.000113 -0.000142 0.000640 -0.000009 1Rh 2dxz -0.000002 0.000396 0.000361 -0.000015 0.000869 0.000062 1Rh 2dyz -0.000230 -0.000517 0.000007 0.000041 0.000210 -0.000126 1Rh 2dx2y2 0.000112 0.000190 -0.000375 0.000480 -0.001169 -0.000337 1Rh 2dxy 0.000162 0.000109 -0.000050 0.000130 -0.000413 0.000349 1Rh 3dz2 -0.001474 -0.003483 0.005422 -0.004476 0.020449 0.001705 1Rh 3dxz 0.000420 0.005269 0.009369 -0.001787 0.029061 0.005384 1Rh 3dyz 0.004080 -0.011424 0.003329 0.001026 0.004303 -0.005879 1Rh 3dx2y2 0.007009 -0.000116 -0.010243 0.012544 -0.042979 -0.013600 1Rh 3dxy 0.005598 0.002285 -0.007343 0.002181 -0.011260 0.012536 1Rh 4dz2 -0.003205 -0.004024 0.006034 -0.006031 0.026721 0.001329 1Rh 4dxz 0.000329 0.010403 0.013147 -0.001887 0.037304 0.005222 1Rh 4dyz -0.000187 -0.017188 0.002827 0.001418 0.006909 -0.006668 1Rh 4dx2y2 0.007367 0.002836 -0.014056 0.017978 -0.053919 -0.016215 1Rh 4dxy 0.007185 0.003658 -0.006533 0.003654 -0.015835 0.015516 1Rh 5dz2 0.002808 -0.004155 0.010763 -0.001440 0.011296 0.003041 1Rh 5dxz -0.000576 -0.006821 0.007764 0.001244 0.016460 0.012557 1Rh 5dyz 0.019776 -0.006740 0.007641 0.000581 -0.000662 -0.011395 1Rh 5dx2y2 0.012793 -0.010563 -0.012244 -0.001270 -0.028236 -0.018963 1Rh 5dxy 0.004450 -0.001403 -0.017441 0.001436 -0.000827 0.015401 1Rh 1f0 -0.000069 0.001541 -0.000742 0.001911 0.000822 0.001297 1Rh 1f+1 0.000676 0.000052 0.000031 0.000835 -0.000812 0.001078 1Rh 1f-1 0.001042 0.000101 -0.000748 0.002231 -0.000236 0.004445 1Rh 1f+2 0.000582 0.001201 -0.000118 -0.000947 -0.001050 -0.001836 1Rh 1f-2 -0.001339 0.000677 -0.000685 0.001278 -0.000486 0.002407 1Rh 1f+3 -0.001207 -0.001465 0.000565 -0.001342 -0.001078 -0.000299 1Rh 1f-3 0.000345 0.001509 0.000494 0.000684 -0.000811 0.001669 2C 1s -0.000520 -0.002942 0.001232 -0.004936 0.008857 -0.004225 2C 2s -0.000914 -0.006786 0.002818 -0.010888 0.019755 -0.010034 2C 3s -0.005020 0.022525 -0.010152 0.025590 -0.026031 0.043079 2C 4s 0.050214 -0.051490 0.011036 -0.016061 -0.076006 -0.169855 2C 5s 0.011791 0.186938 0.066029 0.806992 -0.773104 1.789686 2C 1pz 0.016285 0.015913 -0.068089 0.042028 -0.049611 -0.010316 2C 1px 0.100431 -0.072910 -0.005380 0.005798 0.003086 -0.011426 2C 1py -0.089008 -0.000434 0.125478 -0.100546 -0.030777 -0.011106 2C 2pz 0.028626 -0.017161 -0.017426 0.022547 -0.080297 0.004331 2C 2px 0.036843 -0.031862 0.000178 0.002226 -0.008578 -0.003560 2C 2py -0.019225 0.000475 0.036726 -0.028288 -0.050258 0.004850 2C 3pz 0.042227 0.240569 -0.493527 0.664739 -0.737883 0.646598 2C 3px 0.623108 -0.359128 -0.043627 -0.066549 -0.107507 0.288231 2C 3py -0.444218 -0.034170 0.916101 -0.446963 -0.504596 0.469935 2C 1dz2 0.000928 -0.000795 -0.000572 -0.000798 0.006013 -0.006081 2C 1dxz 0.008921 -0.004353 -0.004782 -0.000137 0.004848 -0.002197 2C 1dyz -0.002206 -0.000466 -0.000559 -0.002010 0.009771 -0.010972 2C 1dx2y2 -0.003003 0.004413 -0.004129 0.006664 -0.004167 0.001350 2C 1dxy -0.001555 -0.003582 0.009247 -0.008320 0.002862 -0.002216 2C 2dz2 0.016492 -0.000343 -0.013316 0.023370 -0.014246 0.018634 2C 2dxz 0.067758 -0.030143 -0.024381 0.028588 -0.004612 0.006897 2C 2dyz -0.008361 0.026783 -0.017398 0.028444 -0.028251 0.046120 2C 2dx2y2 -0.014023 0.019803 -0.020125 0.004502 0.004173 -0.010438 2C 2dxy -0.034653 -0.000168 0.052574 -0.040209 -0.005565 0.008374 2C 1f0 0.001775 0.001376 -0.005055 0.003301 -0.000490 -0.000793 2C 1f+1 -0.004050 0.001582 0.002919 -0.002306 -0.001067 0.001908 2C 1f-1 0.001874 -0.001237 0.001179 0.000853 -0.003672 0.001448 2C 1f+2 0.002982 -0.001923 0.000178 0.000815 0.001491 0.000217 2C 1f-2 0.004129 -0.002563 -0.001120 -0.000025 -0.000472 -0.003282 2C 1f+3 0.004561 0.000723 -0.005326 0.005748 -0.001438 0.004721 2C 1f-3 -0.004501 0.003343 -0.000025 -0.000288 -0.000684 0.002965 3C 1s -0.000683 0.005280 0.001149 0.000027 0.009407 0.006267 3C 2s -0.001681 0.011812 0.002481 0.000100 0.020951 0.014142 3C 3s 0.007561 -0.032116 -0.003081 -0.003716 -0.025147 -0.032643 3C 4s -0.026577 0.033401 -0.027754 0.023846 -0.085185 0.080077 3C 5s -0.085152 -0.850038 0.169971 -0.362474 -1.173983 -2.131373 3C 1pz 0.103662 0.112993 0.086328 0.038638 -0.028305 -0.073481 3C 1px -0.009617 0.083068 0.068041 -0.047256 -0.021786 -0.009537 3C 1py 0.039161 0.057136 0.060088 -0.015615 0.045803 -0.001725 3C 2pz 0.019300 0.024963 0.015064 0.022053 -0.051971 -0.038680 3C 2px -0.005938 0.020574 0.022197 -0.021212 -0.038447 -0.015360 3C 2py 0.033256 0.024226 0.020997 -0.003841 0.093624 0.039216 3C 3pz 0.537857 0.573307 0.710578 0.195279 -0.558502 -1.211393 3C 3px -0.069434 0.453611 0.445294 -0.498540 -0.391911 -0.344214 3C 3py 0.210624 0.725004 0.444158 -0.068833 0.925215 1.014405 3C 1dz2 -0.000762 -0.004986 -0.005082 0.001053 -0.001995 -0.001449 3C 1dxz -0.000398 0.008502 0.007314 -0.007436 0.003438 0.006694 3C 1dyz -0.003113 -0.005633 -0.002172 -0.003624 -0.010875 -0.008176 3C 1dx2y2 0.004252 0.004134 0.006254 0.000062 -0.008242 -0.013570 3C 1dxy 0.003270 0.001628 0.002197 0.001662 -0.006686 -0.011503 3C 2dz2 -0.015114 -0.023168 -0.022816 0.005169 0.007980 0.023165 3C 2dxz -0.002759 0.029099 0.028508 -0.023786 -0.013235 -0.014620 3C 2dyz -0.037946 0.005230 -0.002570 -0.018602 0.032205 0.039502 3C 2dx2y2 0.048228 0.060969 0.034780 0.009208 0.021352 0.012214 3C 2dxy 0.032603 0.042774 0.023993 0.015342 0.019462 0.008164 3C 1f0 0.006067 0.008179 0.004800 0.001451 0.003353 0.001220 3C 1f+1 0.003232 0.000240 -0.000424 0.001850 0.000244 0.000115 3C 1f-1 -0.003471 -0.002075 -0.002171 -0.000440 0.001034 0.002243 3C 1f+2 0.000883 -0.002805 -0.000468 -0.000520 0.001773 -0.000592 3C 1f-2 -0.000956 -0.000249 0.000654 -0.001043 0.001927 0.000104 3C 1f+3 0.002877 0.003831 0.003635 -0.000908 -0.003062 -0.004006 3C 1f-3 -0.002509 0.002368 0.001609 -0.002059 0.001443 0.002028 4C 1s -0.002849 0.003563 0.000860 0.001406 -0.013231 0.006922 4C 2s -0.006320 0.007908 0.002541 0.002819 -0.029325 0.014776 4C 3s 0.015406 -0.015112 -0.012962 0.000855 0.015083 -0.021131 4C 4s -0.026616 -0.033449 0.054879 -0.064255 0.283427 -0.097604 4C 5s -0.054059 0.052400 -0.527916 -0.158018 1.857941 -0.371349 4C 1pz -0.014966 0.006974 0.024335 0.013467 -0.061096 0.054839 4C 1px 0.011874 -0.015048 0.028635 -0.029899 -0.005583 0.010855 4C 1py 0.015508 0.016393 -0.057840 0.046104 -0.035496 0.042995 4C 2pz 0.025800 0.006630 0.014127 0.079140 -0.120697 0.155125 4C 2px 0.016106 -0.000386 -0.025254 -0.028698 0.000603 0.068077 4C 2py 0.003693 0.058326 -0.076875 0.087136 -0.071798 0.128250 4C 3pz -0.197979 -0.006438 0.245883 0.150123 -0.143010 0.745026 4C 3px -0.138280 0.058829 -0.072916 0.050398 0.088927 0.073315 4C 3py 0.150255 -0.094797 -0.260495 0.332439 -0.022313 0.475373 4C 1dz2 -0.000228 -0.002078 0.003936 -0.004264 -0.002528 0.000295 4C 1dxz -0.002773 0.002441 -0.002465 0.003389 -0.000972 0.002095 4C 1dyz 0.000016 -0.000354 0.000235 -0.001388 -0.006191 -0.005594 4C 1dx2y2 -0.002137 0.000906 0.003303 -0.001976 -0.000636 -0.002558 4C 1dxy -0.004180 0.001775 0.001897 -0.000834 -0.002707 -0.003273 4C 2dz2 -0.008656 -0.005407 0.020647 -0.010914 0.001951 -0.026825 4C 2dxz -0.023615 0.021309 -0.008342 -0.013049 -0.010796 0.002832 4C 2dyz -0.014519 0.003366 0.005181 -0.002509 0.018055 -0.010378 4C 2dx2y2 -0.005973 -0.005054 0.000209 -0.004985 0.020846 0.006976 4C 2dxy -0.011388 0.015782 -0.025581 0.001682 0.018194 0.013208 4C 1f0 0.000548 0.001450 -0.002964 0.003406 -0.001558 0.000929 4C 1f+1 0.000437 0.000168 0.000261 0.000670 -0.002202 0.002384 4C 1f-1 0.000884 -0.000857 0.001101 0.000676 -0.003141 0.001259 4C 1f+2 0.002535 -0.001559 -0.000868 -0.000116 0.002814 -0.001650 4C 1f-2 0.002568 -0.001289 -0.002130 0.000365 -0.000487 0.000943 4C 1f+3 -0.000323 0.000296 0.000627 0.000137 -0.000026 0.000594 4C 1f-3 0.000878 -0.001217 0.001373 0.000234 -0.001598 -0.000766 5C 1s 0.001732 -0.000834 0.001139 0.003509 -0.014759 -0.016069 5C 2s 0.003661 -0.001322 0.003075 0.007983 -0.032650 -0.035854 5C 3s -0.004788 -0.005475 -0.014711 -0.017752 0.013647 0.063109 5C 4s 0.007592 0.083542 0.062702 -0.018797 0.332287 0.129182 5C 5s 0.141777 -0.061067 -0.482229 -0.024961 2.182867 1.670987 5C 1pz -0.007467 -0.057379 -0.058780 0.006627 -0.035710 -0.001818 5C 1px -0.001309 -0.010655 0.000760 -0.028670 -0.028845 -0.012315 5C 1py -0.013822 -0.005736 -0.030102 0.004599 0.067964 0.100508 5C 2pz -0.003618 -0.086663 -0.084319 0.011789 -0.071714 -0.053040 5C 2px 0.025877 -0.047042 0.020156 -0.010958 -0.070940 -0.010036 5C 2py 0.024726 0.068518 -0.000384 0.025340 0.135750 0.227158 5C 3pz -0.221926 -0.352353 -0.202208 -0.211321 -0.150921 -0.628764 5C 3px 0.063284 -0.203320 0.100466 0.094637 -0.182846 -0.381958 5C 3py -0.135479 0.017684 -0.198374 0.135559 0.310777 1.105272 5C 1dz2 -0.002909 -0.005620 -0.003940 -0.003312 0.002014 0.002339 5C 1dxz 0.000358 -0.001724 -0.002384 0.000626 -0.000591 0.000306 5C 1dyz 0.000134 -0.003967 -0.002245 -0.000264 0.006249 0.000177 5C 1dx2y2 -0.000334 -0.001360 -0.001449 0.003297 0.002264 -0.000945 5C 1dxy -0.001168 0.001743 0.002847 -0.004511 0.002375 0.000481 5C 2dz2 -0.014118 0.002355 -0.001115 -0.005326 -0.019028 0.008046 5C 2dxz 0.008997 -0.009598 0.001932 0.003929 -0.009474 0.018555 5C 2dyz 0.001429 -0.011750 -0.003563 0.000625 -0.036996 0.000373 5C 2dx2y2 -0.005692 -0.029828 -0.013519 0.010066 0.003245 -0.007440 5C 2dxy -0.025825 -0.005545 -0.014638 -0.010541 0.000422 -0.010597 5C 1f0 0.000501 0.000392 0.001179 -0.000140 0.001076 0.000421 5C 1f+1 -0.001063 -0.000348 -0.000008 -0.001612 -0.001068 -0.001997 5C 1f-1 -0.002126 -0.003208 -0.002098 -0.000382 0.000148 0.001588 5C 1f+2 0.001374 0.001857 0.000804 0.000448 0.002669 0.003690 5C 1f-2 -0.001579 0.000137 -0.001599 -0.000145 0.004031 0.000799 5C 1f+3 -0.000800 0.000968 0.001367 -0.002218 -0.003910 -0.000331 5C 1f-3 -0.000355 0.001900 0.001602 -0.001232 0.002362 -0.000754 6C 1s 0.001701 0.000935 0.001765 -0.003116 -0.014739 0.015272 6C 2s 0.003625 0.001526 0.004476 -0.007014 -0.032603 0.034110 6C 3s -0.005226 0.005551 -0.017592 0.014392 0.013692 -0.061666 6C 4s 0.011983 -0.085627 0.055594 0.029353 0.331750 -0.115197 6C 5s 0.140443 0.065330 -0.460362 -0.069636 2.176351 -1.555153 6C 1pz 0.009617 -0.059241 0.053981 0.019329 0.036144 0.000394 6C 1px 0.002502 -0.010708 0.005701 -0.028216 0.029033 -0.010679 6C 1py 0.013645 -0.005967 0.027108 0.011904 -0.068087 0.096882 6C 2pz 0.007343 -0.088092 0.076386 0.029609 0.072873 -0.047888 6C 2px -0.023868 -0.048371 -0.017559 -0.017121 0.071357 -0.007181 6C 2py -0.028854 0.068493 -0.005489 0.025555 -0.136355 0.217653 6C 3pz 0.243665 -0.360939 0.241885 -0.160414 0.151577 -0.564868 6C 3px -0.062153 -0.211320 -0.124390 0.061604 0.181636 -0.342742 6C 3py 0.126285 0.019724 0.155221 0.184254 -0.311711 1.003327 6C 1dz2 -0.003227 0.005653 -0.004395 0.002384 0.001956 -0.002389 6C 1dxz 0.000336 0.001791 -0.002088 -0.001078 -0.000605 -0.000338 6C 1dyz -0.000047 0.003957 -0.002104 -0.000139 0.006177 -0.000147 6C 1dx2y2 -0.000259 0.001423 -0.000640 -0.003596 0.002278 0.001069 6C 1dxy -0.001272 -0.001934 0.001705 0.004991 0.002347 -0.000470 6C 2dz2 -0.014096 -0.003173 -0.002037 0.004388 -0.019037 -0.008042 6C 2dxz 0.008936 0.010487 0.002652 -0.003157 -0.009563 -0.017023 6C 2dyz 0.001045 0.011969 -0.002914 -0.001021 -0.037025 -0.001671 6C 2dx2y2 -0.006346 0.030658 -0.009966 -0.012407 0.003275 0.004872 6C 2dxy -0.026890 0.004863 -0.016005 0.006565 0.000496 0.008416 6C 1f0 -0.000524 0.000398 -0.001079 -0.000399 -0.001081 0.000200 6C 1f+1 0.001136 -0.000342 0.000403 -0.001547 0.001049 -0.001958 6C 1f-1 0.002256 -0.003290 0.002054 0.000120 -0.000146 0.001593 6C 1f+2 -0.001415 0.001890 -0.000851 0.000246 -0.002632 0.003455 6C 1f-2 0.001572 0.000163 0.001569 0.000286 -0.004037 0.000628 6C 1f+3 0.000851 0.001048 -0.000787 -0.002434 0.003912 -0.000147 6C 1f-3 0.000347 0.001945 -0.001192 -0.001541 -0.002372 -0.000861 7C 1s -0.002843 -0.003856 0.001023 -0.001300 -0.013215 -0.005952 7C 2s -0.006315 -0.008574 0.002804 -0.002469 -0.029284 -0.012644 7C 3s 0.015314 0.016416 -0.011545 -0.002922 0.015047 0.019400 7C 4s -0.026343 0.033861 0.037669 0.072776 0.283104 0.079902 7C 5s -0.040573 -0.024754 -0.551346 0.060729 1.854827 0.227971 7C 1pz 0.014407 0.008458 -0.028008 0.007527 0.061414 0.049942 7C 1px -0.011744 -0.015600 -0.021986 -0.035748 0.005486 0.009676 7C 1py -0.016540 0.014894 0.047077 0.058295 0.035844 0.040603 7C 2pz -0.027032 0.007924 -0.034555 0.073412 0.122060 0.142914 7C 2px -0.015390 -0.002820 0.030449 -0.025431 -0.000428 0.068285 7C 2py -0.006982 0.056165 0.056296 0.102220 0.072558 0.123014 7C 3pz 0.196050 0.015398 -0.281960 0.104374 0.146233 0.634672 7C 3px 0.137328 0.057097 0.053055 0.057767 -0.090791 0.059995 7C 3py -0.145176 -0.093297 0.175149 0.384969 0.027498 0.407523 7C 1dz2 -0.000264 0.002098 0.002973 0.004995 -0.002492 -0.000172 7C 1dxz -0.002737 -0.002586 -0.001628 -0.003771 -0.000996 -0.002070 7C 1dyz -0.000103 0.000289 -0.000230 0.001312 -0.006138 0.005698 7C 1dx2y2 -0.002144 -0.001089 0.002683 0.002554 -0.000586 0.002483 7C 1dxy -0.004299 -0.002095 0.001601 0.001177 -0.002675 0.003259 7C 2dz2 -0.007813 0.005075 0.017595 0.014144 0.001967 0.025317 7C 2dxz -0.023559 -0.021854 -0.011611 0.011557 -0.010864 -0.005347 7C 2dyz -0.014193 -0.004036 0.004048 0.003171 0.018126 0.008181 7C 2dx2y2 -0.006730 0.004868 -0.000367 0.005242 0.020771 -0.005530 7C 2dxy -0.011425 -0.016009 -0.025304 -0.006940 0.018037 -0.014060 7C 1f0 -0.000585 0.001466 0.002200 0.003992 0.001546 0.000855 7C 1f+1 -0.000478 0.000141 -0.000433 0.000595 0.002189 0.002259 7C 1f-1 -0.000836 -0.000796 -0.001254 0.000474 0.003146 0.000853 7C 1f+2 -0.002475 -0.001667 0.000905 0.000078 -0.002829 -0.001495 7C 1f-2 -0.002530 -0.001426 0.002015 0.000769 0.000500 0.000871 7C 1f+3 0.000213 0.000238 -0.000605 0.000050 -0.000006 0.000534 7C 1f-3 -0.000861 -0.001153 -0.001438 -0.000027 0.001631 -0.000872 8C 1s -0.000356 -0.005413 0.001145 0.000126 0.009469 -0.006096 8C 2s -0.000934 -0.012116 0.002487 0.000221 0.021095 -0.013753 8C 3s 0.005175 0.032743 -0.003852 0.003540 -0.025776 0.032341 8C 4s -0.022231 -0.032983 -0.021617 -0.029869 -0.083444 -0.078523 8C 5s -0.147993 0.857773 0.085247 0.401389 -1.182947 1.954337 8C 1pz -0.108932 0.113941 -0.089116 0.016529 0.027920 -0.073964 8C 1px 0.009791 0.086600 -0.053315 -0.060509 0.021730 -0.008386 8C 1py -0.039655 0.059703 -0.053500 -0.029654 -0.045350 -0.003459 8C 2pz -0.020559 0.024932 -0.018938 0.017250 0.051580 -0.035506 8C 2px 0.006140 0.021621 -0.016715 -0.025717 0.038363 -0.012650 8C 2py -0.033354 0.024805 -0.018754 -0.009407 -0.092910 0.033163 8C 3pz -0.564847 0.582076 -0.711755 0.021494 0.555102 -1.168472 8C 3px 0.081453 0.474211 -0.297968 -0.579778 0.393745 -0.311655 8C 3py -0.235035 0.747041 -0.403456 -0.163954 -0.926418 0.929108 8C 1dz2 -0.000951 0.005093 -0.004546 -0.002026 -0.002033 0.001270 8C 1dxz -0.000322 -0.009004 0.005315 0.008812 0.003432 -0.006330 8C 1dyz -0.003512 0.005579 -0.002812 0.003126 -0.010941 0.007489 8C 1dx2y2 0.004333 -0.004102 0.005785 0.001357 -0.008217 0.013071 8C 1dxy 0.003396 -0.001641 0.002394 -0.001107 -0.006694 0.011193 8C 2dz2 -0.015725 0.023485 -0.019937 -0.010037 0.007995 -0.022825 8C 2dxz -0.002456 -0.031983 0.022438 0.029375 -0.013377 0.013567 8C 2dyz -0.037728 -0.006332 -0.006174 0.016528 0.032473 -0.037626 8C 2dx2y2 0.050384 -0.060948 0.033896 -0.001020 0.021372 -0.010012 8C 2dxy 0.035333 -0.043379 0.026049 -0.009468 0.019586 -0.006002 8C 1f0 -0.006442 0.008252 -0.004782 0.000323 -0.003372 0.000987 8C 1f+1 -0.003256 -0.000050 0.000105 0.001819 -0.000218 0.000033 8C 1f-1 0.003524 -0.002190 0.002176 0.000121 -0.001067 0.002199 8C 1f+2 -0.000676 -0.002900 0.000562 -0.000446 -0.001724 -0.000623 8C 1f-2 0.000993 -0.000164 -0.000445 -0.001144 -0.001876 -0.000033 8C 1f+3 -0.002962 0.003932 -0.003210 -0.001726 0.003091 -0.003868 8C 1f-3 0.002468 0.002586 -0.001127 -0.002289 -0.001448 0.001930 9C 1s -0.000758 0.002973 -0.000010 0.005095 0.008911 0.003917 9C 2s -0.001456 0.006858 0.000079 0.011267 0.019886 0.009337 9C 3s -0.003176 -0.022606 -0.003654 -0.027309 -0.026663 -0.042266 9C 4s 0.046349 0.052263 0.007613 0.019196 -0.073843 0.169080 9C 5s 0.032802 -0.207577 0.270016 -0.787875 -0.789067 -1.596221 9C 1pz -0.015031 0.016624 0.060084 0.056809 0.049359 -0.011411 9C 1px -0.100911 -0.078584 0.003605 0.007719 -0.003437 -0.012783 9C 1py 0.088306 0.002618 -0.101504 -0.124737 0.030431 -0.013052 9C 2pz -0.026156 -0.016733 0.012203 0.025836 0.080039 -0.002632 9C 2px -0.036919 -0.034276 -0.001480 0.002119 0.008450 -0.005024 9C 2py 0.019576 0.001309 -0.030318 -0.035297 0.050112 -0.000054 9C 3pz -0.044113 0.250601 0.344634 0.767481 0.738739 0.558393 9C 3px -0.626211 -0.390859 0.064574 -0.046595 0.106534 0.265355 9C 3py 0.441833 -0.004553 -0.809727 -0.630339 0.507785 0.404346 9C 1dz2 0.000788 0.000794 -0.000723 0.000720 0.005979 0.005474 9C 1dxz 0.009008 0.005050 -0.004703 -0.000764 0.004881 0.001811 9C 1dyz -0.002193 0.000430 -0.001144 0.001759 0.009842 0.010118 9C 1dx2y2 -0.002808 -0.004698 -0.002879 -0.007719 -0.004213 -0.001131 9C 1dxy -0.001748 0.003406 0.007295 0.009988 0.002849 0.002169 9C 2dz2 0.015817 0.000420 -0.006850 -0.024664 -0.014375 -0.016689 9C 2dxz 0.067621 0.033104 -0.016713 -0.032769 -0.004641 -0.005004 9C 2dyz -0.006565 -0.027169 -0.011155 -0.032217 -0.028661 -0.043549 9C 2dx2y2 -0.012685 -0.020807 -0.021364 -0.010402 0.004289 0.008886 9C 2dxy -0.034681 -0.001487 0.042799 0.049954 -0.005644 -0.007624 9C 1f0 -0.001810 0.001369 0.004412 0.004364 0.000456 -0.000764 9C 1f+1 0.004027 0.001792 -0.002289 -0.002827 0.001058 0.001793 9C 1f-1 -0.001771 -0.001245 -0.001478 0.000526 0.003688 0.001180 9C 1f+2 -0.002892 -0.001979 -0.000480 0.000744 -0.001462 0.000385 9C 1f-2 -0.004023 -0.002711 0.001115 0.000238 0.000445 -0.003272 9C 1f+3 -0.004792 0.000440 0.003915 0.006730 0.001472 0.004464 9C 1f-3 0.004293 0.003578 0.000274 -0.000020 0.000760 0.003157 10H 1s -0.019841 0.014602 -0.002919 0.014246 -0.013543 0.002085 10H 2s 0.070777 -0.049511 0.001536 0.091575 -0.040268 0.007836 10H 3s -1.000816 0.641683 -0.073386 0.045818 -0.201126 -0.283643 10H 1pz 0.014520 -0.007618 -0.003090 0.007573 -0.005238 0.007266 10H 1px -0.019612 0.013641 -0.002486 -0.003496 -0.004690 -0.001354 10H 1py 0.001717 -0.003980 0.008201 -0.003171 -0.004268 0.004349 11H 1s 0.015368 -0.002617 -0.014528 0.009470 -0.007916 0.009395 11H 2s -0.141937 0.071169 0.064559 -0.057377 -0.041327 0.091921 11H 3s 1.164849 -0.351816 -1.150142 0.648550 -0.001578 -0.215507 11H 1pz -0.021587 0.010903 0.011349 -0.004514 -0.008522 0.010456 11H 1px -0.018921 0.006211 0.018440 -0.014156 -0.001132 0.008884 11H 1py 0.015123 -0.006231 -0.009881 0.006434 -0.004505 0.000050 12H 1s -0.000097 -0.008309 0.019564 -0.019904 -0.005935 0.010588 12H 2s 0.089780 0.021001 -0.112315 0.074078 -0.033467 0.097868 12H 3s -0.349451 -0.495682 1.433884 -1.244676 -0.019706 -0.207138 12H 1pz -0.004158 -0.000248 0.007525 -0.002967 -0.008715 0.004503 12H 1px 0.009884 0.003467 -0.017885 0.012382 -0.000629 0.006952 12H 1py 0.008434 0.011088 -0.027821 0.025727 -0.005435 0.011517 13H 1s 0.008459 -0.005562 -0.007257 0.021305 -0.008451 -0.026123 13H 2s -0.086002 -0.044326 -0.017852 0.003155 -0.033208 -0.096814 13H 3s 0.619297 0.096893 -0.090480 0.814602 -0.045023 -0.468917 13H 1pz -0.009939 0.001970 0.007192 -0.011188 -0.004512 -0.006241 13H 1px 0.013519 0.006360 0.003558 0.009010 -0.004897 -0.008556 13H 1py 0.007853 0.007103 0.002864 0.005197 0.008503 0.006385 14H 1s 0.005213 0.020511 0.021989 -0.014510 -0.012694 -0.014963 14H 2s -0.070032 -0.146884 -0.072046 -0.036016 -0.050191 -0.017818 14H 3s 0.480263 1.655184 1.283512 -0.354417 -0.136895 -0.342357 14H 1pz -0.004184 -0.018020 -0.010551 0.005555 -0.004278 -0.007028 14H 1px -0.013114 -0.036783 -0.025832 0.001976 -0.001725 0.005747 14H 1py -0.002558 -0.004126 -0.003338 -0.000371 0.009420 0.010086 15H 1s -0.010925 -0.015297 -0.012197 -0.004398 -0.011799 -0.001712 15H 2s 0.144818 0.068614 0.052243 0.019290 -0.051796 -0.068593 15H 3s -0.979937 -0.971411 -1.043129 -0.182660 -0.056202 0.735453 15H 1pz -0.018442 -0.015676 -0.014899 -0.002653 -0.004883 0.003378 15H 1px 0.005587 0.007880 0.008065 -0.003867 -0.003599 -0.004788 15H 1py -0.022275 -0.012384 -0.013263 -0.006053 0.008748 0.021381 16H 1s 0.011483 -0.007988 0.001927 0.007454 0.003393 -0.014608 16H 2s 0.018474 -0.019919 0.007796 -0.016140 -0.021210 -0.035739 16H 3s 0.318975 -0.223516 0.021286 0.344375 0.249888 -0.286369 16H 1pz -0.008889 0.005159 -0.000347 -0.009825 -0.005584 0.005606 16H 1px 0.001259 -0.000796 0.000467 0.000289 0.001347 -0.003006 16H 1py -0.005097 0.003123 -0.000348 -0.003718 -0.002147 0.002443 17H 1s -0.010747 0.004768 -0.004941 0.014436 0.004455 -0.006514 17H 2s -0.015144 0.007038 -0.009116 0.006273 -0.016040 -0.015531 17H 3s -0.338083 0.169671 -0.163461 0.485041 0.264088 -0.171464 17H 1pz -0.005060 0.003466 -0.002737 0.007994 0.002734 -0.002120 17H 1px -0.006567 0.003034 -0.002779 0.009123 0.004873 -0.002619 17H 1py 0.006403 -0.003816 0.002873 -0.007348 -0.002776 0.002074 18H 1s -0.010610 -0.005200 -0.001614 -0.015294 0.004354 0.006190 18H 2s -0.015516 -0.007692 -0.008199 -0.008570 -0.016106 0.014480 18H 3s -0.331539 -0.183377 -0.050670 -0.511603 0.262804 0.168264 18H 1pz 0.005082 0.003750 0.000922 0.008589 -0.002764 -0.002176 18H 1px 0.006465 0.003317 0.000650 0.009585 -0.004800 -0.002522 18H 1py -0.006104 -0.003961 -0.001178 -0.007578 0.002635 0.001916 19H 1s 0.011623 0.008501 0.004117 -0.006613 0.003560 0.014842 19H 2s 0.018300 0.020843 0.004990 0.017307 -0.020600 0.038210 19H 3s 0.325620 0.236299 0.115472 -0.324175 0.253249 0.285176 19H 1pz 0.008948 0.005478 0.002934 -0.009200 0.005589 0.005409 19H 1px -0.001331 -0.000895 -0.000582 0.000208 -0.001425 -0.003047 19H 1py 0.005387 0.003480 0.001449 -0.003647 0.002285 0.002523 20H 1s -0.011609 0.015440 -0.012352 0.001574 -0.011897 0.000680 20H 2s 0.146842 -0.069181 0.053209 -0.003722 -0.053162 0.067485 20H 3s -1.014332 0.985754 -1.019017 -0.068487 -0.055444 -0.747363 20H 1pz 0.018967 -0.015908 0.014583 0.001017 0.004790 0.003901 20H 1px -0.005846 0.008256 -0.006793 -0.005656 0.003652 -0.004851 20H 1py 0.022647 -0.012317 0.013648 -0.002515 -0.008853 0.021117 21H 1s 0.005362 -0.021195 0.017285 0.018980 -0.012656 0.014225 21H 2s -0.075682 0.151071 -0.076390 0.018735 -0.050386 0.014954 21H 3s 0.524592 -1.706023 1.124088 0.628146 -0.132169 0.349008 21H 1pz 0.004662 -0.018895 0.008832 0.007764 0.004275 -0.006575 21H 1px 0.014257 -0.037697 0.023769 0.007595 0.001864 0.006015 21H 1py 0.002717 -0.004355 0.003256 0.000424 -0.009429 0.009615 22H 1s 0.009010 0.006291 -0.002192 -0.022223 -0.008361 0.025426 22H 2s -0.088707 0.041212 -0.014081 -0.008595 -0.033172 0.092673 22H 3s 0.663509 -0.060512 0.087783 -0.803732 -0.037810 0.473144 22H 1pz 0.010362 0.002773 -0.004512 -0.012256 0.004572 -0.005808 22H 1px -0.014297 0.005791 -0.005079 0.007826 0.004793 -0.008453 22H 1py -0.008480 0.006932 -0.003730 0.004409 -0.008553 0.005686 23H 1s -0.000400 0.008313 0.015058 0.023620 -0.005988 -0.009497 23H 2s 0.089844 -0.019195 -0.095147 -0.096073 -0.034624 -0.095701 23H 3s -0.367986 0.482784 1.147950 1.529876 -0.013908 0.220183 23H 1pz 0.004266 -0.000034 -0.006911 -0.004630 0.008677 0.003742 23H 1px -0.009948 0.002846 0.014687 0.015486 0.000694 0.006965 23H 1py -0.008840 0.011100 0.022112 0.031367 0.005641 0.011429 24H 1s 0.015508 0.003564 -0.012375 -0.012294 -0.007821 -0.008606 24H 2s -0.138610 -0.074432 0.050641 0.070147 -0.041311 -0.090541 24H 3s 1.156793 0.412622 -1.000347 -0.879823 0.003753 0.209716 24H 1pz 0.021159 0.011834 -0.010139 -0.006630 0.008607 0.009876 24H 1px 0.018979 0.007084 -0.015351 -0.017991 0.001207 0.008902 24H 1py -0.014627 -0.006693 0.008148 0.008185 0.004524 -0.000223 25H 1s -0.019809 -0.016101 0.000048 -0.014864 -0.013614 -0.001155 25H 2s 0.070663 0.051737 0.026020 -0.088518 -0.040472 -0.001622 25H 3s -1.004936 -0.702250 -0.088847 -0.073942 -0.198717 0.274584 25H 1pz -0.014747 -0.008516 0.000928 0.007997 0.005226 0.006419 25H 1px 0.019565 0.014691 0.004028 -0.002514 0.004618 -0.001162 25H 1py -0.001452 -0.003806 -0.007553 -0.004919 0.004345 0.003718 26O 1s 0.001845 -0.000299 0.000796 -0.001702 0.008464 0.009700 26O 2s 0.004251 -0.000623 0.001666 -0.004298 0.020055 0.024402 26O 3s -0.003061 -0.000309 0.000194 0.008547 -0.023556 -0.051371 26O 4s -0.037243 0.010732 -0.025098 0.011023 -0.104877 -0.000707 26O 5s 0.096917 -0.070589 0.223222 -0.035365 -0.227340 -0.569347 26O 1pz 0.020528 -0.018533 -0.010889 -0.021447 -0.048724 -0.017924 26O 1px 0.022061 -0.016636 -0.005737 0.014790 0.025085 0.001333 26O 1py -0.015663 0.011526 0.005775 -0.008468 -0.021299 -0.002359 26O 2pz 0.021948 -0.024059 -0.006170 -0.015715 -0.046005 -0.012873 26O 2px 0.019731 -0.012533 -0.015509 0.002313 0.029841 0.010611 26O 2py -0.009710 0.008216 -0.001116 -0.006189 -0.017079 -0.000200 26O 3pz 0.032042 0.012222 -0.068379 -0.034797 0.008147 -0.086095 26O 3px -0.015218 0.035176 -0.100222 0.111369 0.153916 0.198094 26O 3py -0.055897 0.035663 -0.000496 -0.027150 0.056801 0.029520 26O 1dz2 -0.000191 -0.000114 0.000546 -0.000206 0.000487 -0.000155 26O 1dxz 0.000591 -0.000189 -0.000554 -0.000454 0.001601 -0.000942 26O 1dyz 0.000257 -0.000169 0.000285 -0.000118 0.001382 -0.000071 26O 1dx2y2 -0.000103 0.000726 -0.001354 0.001190 -0.000619 0.001421 26O 1dxy -0.000020 -0.000454 0.000767 -0.000919 0.000840 0.000219 26O 2dz2 -0.004316 0.003593 0.000626 -0.000994 0.004265 0.004148 26O 2dxz 0.001999 -0.001355 0.000259 -0.001500 0.003733 -0.001368 26O 2dyz -0.000763 -0.000852 0.001540 -0.001889 0.001125 -0.008306 26O 2dx2y2 0.003157 -0.004460 0.004060 -0.001021 -0.006890 -0.010277 26O 2dxy 0.002624 -0.004306 0.006877 -0.003333 -0.003682 -0.010088 26O 1f0 0.000361 -0.000139 -0.000149 0.000090 0.000552 -0.000387 26O 1f+1 0.000134 -0.000082 -0.000147 0.000053 -0.000677 -0.000497 26O 1f-1 0.000067 -0.000049 0.000085 -0.000128 -0.000249 -0.000410 26O 1f+2 -0.000023 0.000054 0.000041 0.000095 -0.000555 0.000221 26O 1f-2 -0.000234 0.000210 -0.000170 0.000175 -0.000569 0.000380 26O 1f+3 0.000019 -0.000085 -0.000298 0.000058 -0.000898 -0.000321 26O 1f-3 -0.000042 -0.000298 0.000651 -0.000467 -0.000475 -0.000665 27O 1s 0.000395 -0.003379 0.003512 -0.008939 0.005563 0.000237 27O 2s 0.001352 -0.008387 0.008869 -0.022223 0.012657 0.000464 27O 3s -0.007884 0.015589 -0.019233 0.043324 -0.006752 0.001975 27O 4s 0.030291 0.012602 0.000757 0.031885 -0.108612 -0.024121 27O 5s -0.170493 0.216910 -0.124839 0.174857 -0.033067 0.127379 27O 1pz 0.033524 0.029564 0.011168 0.018773 -0.036499 0.019599 27O 1px -0.009590 0.001016 -0.005107 0.000375 0.023233 0.017261 27O 1py 0.005181 -0.013170 0.003072 0.018781 0.051660 -0.007349 27O 2pz 0.023343 0.021533 0.007880 0.013430 -0.034765 0.007661 27O 2px -0.007901 -0.007133 0.000408 -0.004891 0.023988 0.026782 27O 2py 0.007954 -0.009944 -0.001373 0.022048 0.050035 -0.000192 27O 3pz 0.060186 0.098796 0.030204 0.054728 -0.015809 0.086739 27O 3px 0.072713 -0.063004 0.002081 0.042601 0.106172 -0.110544 27O 3py -0.011869 0.007023 0.049205 -0.042991 -0.019760 -0.087602 27O 1dz2 -0.000476 -0.000178 -0.000388 0.000125 -0.000157 0.000216 27O 1dxz -0.000258 0.001277 0.001084 -0.000441 0.001208 0.000280 27O 1dyz 0.000093 -0.000256 -0.000823 0.000336 -0.000596 0.000925 27O 1dx2y2 0.000694 -0.000450 0.000124 -0.000280 -0.001086 -0.001158 27O 1dxy 0.000356 0.000478 0.000411 0.000226 -0.001836 -0.001829 27O 2dz2 0.001391 -0.005924 -0.002094 0.001890 0.002508 -0.005296 27O 2dxz 0.000993 0.000267 0.002159 -0.000670 0.003533 -0.000492 27O 2dyz -0.000914 -0.003595 -0.001762 -0.004261 0.000052 0.001470 27O 2dx2y2 -0.004850 0.002320 -0.003757 -0.003912 -0.006028 0.004376 27O 2dxy 0.002679 -0.002406 0.000644 0.002839 -0.002918 -0.004896 27O 1f0 0.000007 0.000087 0.000346 -0.000109 0.000646 -0.000034 27O 1f+1 0.000095 0.000570 0.000231 -0.000075 -0.000463 0.000142 27O 1f-1 -0.000034 -0.000355 -0.000162 0.000059 -0.000096 -0.000218 27O 1f+2 -0.000038 -0.000152 -0.000370 -0.000081 -0.000611 -0.000264 27O 1f-2 -0.000139 0.000037 0.000310 -0.000141 0.000026 -0.000080 27O 1f+3 0.000007 0.000130 -0.000279 0.000050 -0.001025 -0.000092 27O 1f-3 0.000311 0.000111 0.000129 0.000316 -0.000561 -0.000745 28O 1s -0.002774 0.001401 -0.000518 0.010789 0.005544 0.005134 28O 2s -0.007023 0.003512 -0.001238 0.026855 0.012650 0.013049 28O 3s 0.016126 -0.007918 0.002070 -0.052303 -0.007387 -0.030857 28O 4s -0.006675 0.004895 0.005150 -0.035055 -0.107156 0.026031 28O 5s 0.085441 -0.006945 -0.041959 -0.343864 -0.047068 -0.400532 28O 1pz 0.007673 0.006929 -0.040359 0.006289 -0.031909 -0.016165 28O 1px 0.005799 -0.008900 -0.007068 0.011427 -0.044350 -0.027085 28O 1py -0.036111 0.015682 0.039290 -0.022430 -0.043213 -0.010687 28O 2pz 0.010313 -0.003308 -0.029318 0.014994 -0.028099 -0.018556 28O 2px -0.002787 -0.001716 -0.012577 0.000023 -0.042284 -0.012979 28O 2py -0.021658 0.005474 0.033393 -0.014210 -0.040831 -0.009585 28O 3pz -0.014758 0.043552 -0.056994 -0.014012 0.041170 0.045258 28O 3px 0.043109 -0.011379 -0.028921 -0.031143 -0.107172 -0.182643 28O 3py -0.079870 0.058285 0.044343 -0.071506 -0.016026 -0.034583 28O 1dz2 -0.000270 0.000547 -0.000333 0.000491 0.001296 -0.000301 28O 1dxz -0.000009 0.000070 0.000279 -0.000498 0.000067 -0.000353 28O 1dyz -0.000556 0.000079 0.000443 -0.000037 0.001284 -0.000059 28O 1dx2y2 -0.000123 0.000080 0.000295 0.000537 -0.001035 0.001075 28O 1dxy -0.000038 0.000216 -0.000123 0.000581 -0.000605 0.000568 28O 2dz2 0.001939 0.000528 -0.005679 0.003316 0.003434 -0.004389 28O 2dxz -0.002207 0.000782 0.002906 0.002405 0.003805 0.005792 28O 2dyz -0.004727 -0.001318 0.006236 -0.007199 0.001673 -0.006810 28O 2dx2y2 0.001123 0.000222 -0.004186 -0.000892 -0.005580 -0.002238 28O 2dxy 0.001049 -0.000026 -0.000986 0.000065 -0.001902 -0.001491 28O 1f0 0.000113 -0.000205 -0.000086 -0.000287 -0.000594 -0.000079 28O 1f+1 0.000049 -0.000130 -0.000323 0.000109 0.000527 -0.000539 28O 1f-1 0.000086 -0.000034 -0.000280 -0.000164 -0.000212 0.000144 28O 1f+2 -0.000034 0.000152 0.000211 0.000251 0.000740 0.000455 28O 1f-2 -0.000180 -0.000169 0.000472 -0.000263 0.000228 -0.000411 28O 1f+3 -0.000030 0.000094 0.000007 0.000147 0.000703 0.000023 28O 1f-3 -0.000161 0.000062 0.000227 -0.000094 0.000377 0.000106 29O 1s 0.000658 -0.000976 -0.000710 0.001596 0.001985 -0.004045 29O 2s 0.001570 -0.002421 -0.001918 0.004745 0.004671 -0.010283 29O 3s -0.002074 0.004621 0.006127 -0.022111 -0.006716 0.023949 29O 4s -0.007225 0.002777 -0.008127 0.052721 -0.024621 -0.007615 29O 5s -0.002005 0.034914 0.048873 -0.231590 -0.015261 0.209008 29O 1pz 0.055484 -0.036960 0.013328 0.015404 0.005274 -0.016697 29O 1px 0.022394 -0.012468 0.011784 -0.065664 -0.009974 0.030291 29O 1py -0.005393 0.004960 -0.013761 0.045827 0.025502 -0.009675 29O 2pz 0.035614 -0.026083 0.009353 0.009379 -0.002573 -0.011781 29O 2px 0.012471 -0.007757 0.008301 -0.041446 0.010714 0.028565 29O 2py -0.003174 0.005059 -0.010917 0.029658 0.014950 -0.000736 29O 3pz 0.115405 -0.075515 0.032655 0.019120 0.028897 -0.041705 29O 3px 0.055766 -0.029284 0.020712 -0.137803 -0.092950 0.017701 29O 3py -0.011031 -0.006743 -0.018914 0.079831 0.036011 -0.070200 29O 1dz2 0.000186 -0.000064 0.000024 0.000505 -0.000160 -0.000608 29O 1dxz -0.000248 0.000024 -0.000045 0.000708 -0.000272 0.000032 29O 1dyz 0.000206 -0.000192 0.000214 -0.000534 -0.000210 -0.000147 29O 1dx2y2 0.000006 -0.000034 -0.000193 -0.000093 0.000615 0.000093 29O 1dxy 0.000160 -0.000040 -0.000135 0.000476 0.000313 -0.000157 29O 2dz2 0.002955 -0.001771 -0.000020 0.004972 0.003024 -0.004579 29O 2dxz -0.003232 0.001628 -0.001458 0.005439 0.001813 0.000037 29O 2dyz 0.005246 -0.002778 0.001398 -0.001575 0.000007 -0.001733 29O 2dx2y2 -0.001185 0.000091 -0.000396 0.000232 0.001412 0.000270 29O 2dxy 0.002079 -0.000104 0.000410 -0.001251 -0.001422 0.003442 29O 1f0 0.000292 -0.000248 0.000158 -0.000387 -0.000245 -0.000058 29O 1f+1 0.000312 -0.000186 0.000055 0.000013 0.000085 0.000147 29O 1f-1 -0.000307 0.000162 -0.000047 -0.000560 -0.000412 0.000301 29O 1f+2 0.000256 -0.000122 0.000077 -0.000033 -0.000087 -0.000060 29O 1f-2 0.000333 -0.000132 0.000091 -0.000559 -0.000282 0.000134 29O 1f+3 -0.000132 0.000023 0.000062 -0.000023 -0.000191 -0.000011 29O 1f-3 -0.000148 0.000115 -0.000035 -0.000146 0.000037 0.000258 30O 1s -0.001139 -0.004158 -0.001832 0.003152 0.007968 -0.005426 30O 2s -0.002475 -0.010307 -0.004778 0.007809 0.018699 -0.013765 30O 3s -0.001242 0.019710 0.011450 -0.014345 -0.018768 0.030916 30O 4s 0.038076 0.011923 -0.006393 -0.021688 -0.114840 -0.015126 30O 5s -0.006341 0.165748 0.192746 0.045212 -0.169762 0.416438 30O 1pz 0.032413 0.036429 0.022082 0.015781 -0.018259 0.014992 30O 1px 0.007083 0.026046 0.007056 0.018942 -0.045794 -0.019329 30O 1py 0.006293 0.029908 0.040281 -0.003898 0.029706 -0.001168 30O 2pz 0.015343 0.027619 0.013527 0.013282 -0.014957 0.006605 30O 2px 0.010419 0.021392 0.014218 0.008807 -0.050823 -0.015206 30O 2py 0.011132 0.025878 0.039799 -0.003015 0.023685 0.004718 30O 3pz 0.071446 0.035716 0.003719 -0.003067 0.074050 -0.034222 30O 3px 0.025446 0.076558 0.022189 0.099876 -0.109334 0.164166 30O 3py 0.006867 0.049948 0.095744 0.017056 -0.071591 0.014447 30O 1dz2 0.000082 0.000569 0.000283 -0.000071 0.000336 0.000159 30O 1dxz -0.000117 -0.000072 -0.000051 0.000331 0.000240 0.000809 30O 1dyz 0.000049 -0.000094 -0.000028 -0.000273 -0.001639 0.000289 30O 1dx2y2 -0.000097 -0.000107 0.000198 -0.001076 -0.001692 -0.002072 30O 1dxy -0.000181 -0.000229 -0.000884 -0.000189 0.000029 0.000627 30O 2dz2 0.002491 0.003655 0.004107 -0.001065 0.002828 -0.006027 30O 2dxz -0.001246 -0.000969 -0.001115 -0.001564 0.005572 -0.008547 30O 2dyz -0.002646 -0.007492 -0.005650 -0.001297 0.000856 -0.006176 30O 2dx2y2 0.001710 0.001992 0.004157 -0.001803 -0.007482 -0.000477 30O 2dxy -0.001499 -0.003970 -0.001800 -0.000246 -0.004208 0.009424 30O 1f0 0.000028 0.000139 0.000153 0.000200 -0.000417 0.000280 30O 1f+1 0.000123 0.000284 0.000372 0.000032 0.000465 0.000026 30O 1f-1 -0.000148 0.000267 0.000279 0.000004 0.000257 -0.000092 30O 1f+2 -0.000313 -0.000330 -0.000176 0.000091 0.001150 0.000124 30O 1f-2 -0.000036 -0.000345 -0.000243 -0.000125 0.000277 -0.000691 30O 1f+3 -0.000185 -0.000211 -0.000261 -0.000048 0.000864 0.000699 30O 1f-3 -0.000095 -0.000032 0.000110 0.000113 0.000843 -0.000240 31O 1s -0.001278 0.004118 -0.000896 -0.003499 0.007897 0.005308 31O 2s -0.002823 0.010229 -0.002455 -0.008707 0.018523 0.013440 31O 3s -0.000505 -0.019869 0.007159 0.016352 -0.018432 -0.029790 31O 4s 0.037881 -0.010037 -0.012296 0.021117 -0.114700 0.012279 31O 5s 0.006099 -0.168733 0.193052 -0.004107 -0.166248 -0.388711 31O 1pz -0.034690 0.037265 -0.024503 0.009932 0.018464 0.013688 31O 1px -0.008595 0.026092 -0.010559 0.017003 0.045410 -0.019045 31O 1py -0.006909 0.031999 -0.037721 -0.012389 -0.029392 -0.000446 31O 2pz -0.017225 0.028531 -0.015919 0.009756 0.015089 0.005762 31O 2px -0.011706 0.021228 -0.015024 0.005317 0.050470 -0.014608 31O 2py -0.011584 0.027437 -0.037212 -0.011638 -0.023358 0.004583 31O 3pz -0.071588 0.035665 -0.001536 -0.005387 -0.073029 -0.035174 31O 3px -0.031350 0.076461 -0.043548 0.092991 0.107946 0.151119 31O 3py -0.010085 0.053059 -0.097037 -0.004314 0.070713 0.019039 31O 1dz2 0.000093 -0.000562 0.000235 0.000139 0.000346 -0.000112 31O 1dxz -0.000097 0.000065 0.000042 -0.000343 0.000243 -0.000797 31O 1dyz 0.000042 0.000093 -0.000080 0.000269 -0.001639 -0.000292 31O 1dx2y2 -0.000131 0.000108 -0.000072 0.001102 -0.001692 0.001978 31O 1dxy -0.000200 0.000236 -0.000887 -0.000013 0.000018 -0.000589 31O 2dz2 0.002547 -0.003874 0.003682 0.001999 0.002800 0.006026 31O 2dxz -0.001395 0.000884 -0.001430 0.001165 0.005536 0.008383 31O 2dyz -0.003058 0.007563 -0.005589 0.000050 0.000736 0.005851 31O 2dx2y2 0.001764 -0.002072 0.003580 0.002739 -0.007450 0.000485 31O 2dxy -0.001543 0.004041 -0.001642 -0.000107 -0.004198 -0.009183 31O 1f0 -0.000041 0.000134 -0.000191 0.000162 0.000411 0.000288 31O 1f+1 -0.000136 0.000300 -0.000364 -0.000054 -0.000464 0.000009 31O 1f-1 0.000136 0.000284 -0.000266 -0.000051 -0.000259 -0.000100 31O 1f+2 0.000321 -0.000319 0.000138 0.000141 -0.001149 0.000097 31O 1f-2 0.000055 -0.000347 0.000262 -0.000068 -0.000269 -0.000681 31O 1f+3 0.000194 -0.000211 0.000254 0.000014 -0.000864 0.000668 31O 1f-3 0.000092 -0.000016 -0.000137 0.000096 -0.000839 -0.000258 32O 1s 0.000685 0.001044 -0.000237 -0.001692 0.002008 0.004035 32O 2s 0.001650 0.002586 -0.000551 -0.004991 0.004728 0.010258 32O 3s -0.002451 -0.004880 0.000283 0.022688 -0.006809 -0.023866 32O 4s -0.006339 -0.003359 0.004683 -0.052835 -0.024734 0.007651 32O 5s -0.005751 -0.035430 -0.010673 0.235274 -0.016317 -0.209421 32O 1pz -0.056088 -0.039416 -0.018625 0.009868 -0.005007 -0.016457 32O 1px -0.021366 -0.013394 0.003571 -0.067139 0.010120 0.030223 32O 1py 0.003008 0.004036 0.002157 0.047152 -0.025551 -0.009689 32O 2pz -0.036033 -0.027804 -0.012860 0.005638 0.002692 -0.011876 32O 2px -0.011886 -0.008198 0.001290 -0.042546 -0.010612 0.028603 32O 2py 0.001608 0.004350 0.003463 0.030908 -0.014977 -0.000780 32O 3pz -0.116598 -0.079888 -0.040359 0.007664 -0.028915 -0.042009 32O 3px -0.053782 -0.032043 0.011248 -0.140217 0.093063 0.017038 32O 3py 0.006907 -0.008357 -0.001942 0.081076 -0.036314 -0.071050 32O 1dz2 0.000184 0.000058 0.000146 -0.000511 -0.000147 0.000629 32O 1dxz -0.000253 -0.000043 0.000117 -0.000701 -0.000277 -0.000056 32O 1dyz 0.000205 0.000203 0.000099 0.000540 -0.000195 0.000207 32O 1dx2y2 0.000001 0.000037 -0.000206 0.000050 0.000615 -0.000109 32O 1dxy 0.000166 0.000050 -0.000016 -0.000503 0.000319 0.000167 32O 2dz2 0.002795 0.001786 0.001214 -0.004862 0.003076 0.004485 32O 2dxz -0.003264 -0.001804 -0.000212 -0.005648 0.001758 -0.000112 32O 2dyz 0.005291 0.003055 0.001141 0.001699 0.000207 0.001848 32O 2dx2y2 -0.001323 -0.000206 -0.000355 -0.000364 0.001409 -0.000279 32O 2dxy 0.001992 0.000124 0.000098 0.001186 -0.001337 -0.003390 32O 1f0 -0.000305 -0.000271 -0.000085 -0.000381 0.000216 -0.000084 32O 1f+1 -0.000306 -0.000193 -0.000071 0.000026 -0.000099 0.000143 32O 1f-1 0.000285 0.000153 0.000181 -0.000552 0.000428 0.000285 32O 1f+2 -0.000255 -0.000133 -0.000078 -0.000031 0.000064 -0.000067 32O 1f-2 -0.000346 -0.000160 0.000037 -0.000565 0.000267 0.000129 32O 1f+3 0.000122 0.000023 -0.000054 -0.000047 0.000204 -0.000010 32O 1f-3 0.000156 0.000123 0.000072 -0.000134 -0.000030 0.000259 33O 1s -0.002499 -0.001638 0.002091 -0.010744 0.005437 -0.004990 33O 2s -0.006331 -0.004113 0.005254 -0.026738 0.012384 -0.012649 33O 3s 0.014649 0.009280 -0.010542 0.052119 -0.006839 0.029401 33O 4s -0.006617 -0.005397 -0.003646 0.034762 -0.107103 -0.022221 33O 5s 0.074025 0.018954 -0.124596 0.335542 -0.041672 0.367053 33O 1pz -0.007252 0.006506 0.038953 0.014770 0.032088 -0.015031 33O 1px -0.005693 -0.008737 0.004726 0.013683 0.044270 -0.028285 33O 1py 0.035908 0.017061 -0.033538 -0.030456 0.042751 -0.010977 33O 2pz -0.009799 -0.003555 0.025597 0.021075 0.028256 -0.018472 33O 2px 0.002976 -0.001523 0.012928 0.003444 0.042242 -0.013965 33O 2py 0.021776 0.006486 -0.029892 -0.021295 0.040426 -0.010496 33O 3pz 0.013653 0.044096 0.061693 -0.000401 -0.039852 0.048571 33O 3px -0.040221 -0.014522 0.036703 -0.026527 0.105384 -0.170917 33O 3py 0.078674 0.060461 -0.025271 -0.078931 0.015427 -0.028247 33O 1dz2 -0.000268 -0.000553 -0.000246 -0.000546 0.001300 0.000223 33O 1dxz -0.000023 -0.000073 0.000157 0.000562 0.000077 0.000359 33O 1dyz -0.000567 -0.000138 0.000425 0.000112 0.001277 0.000056 33O 1dx2y2 -0.000081 -0.000089 0.000418 -0.000485 -0.001045 -0.000985 33O 1dxy -0.000024 -0.000222 0.000003 -0.000612 -0.000606 -0.000497 33O 2dz2 0.001990 -0.000431 -0.005018 -0.004540 0.003479 0.004106 33O 2dxz -0.002008 -0.001044 0.003325 -0.001979 0.003761 -0.005385 33O 2dyz -0.004923 0.001009 0.004415 0.008311 0.001753 0.006662 33O 2dx2y2 0.001073 -0.000047 -0.004383 0.000037 -0.005538 0.002033 33O 2dxy 0.000997 0.000001 -0.001116 -0.000409 -0.001881 0.001544 33O 1f0 -0.000097 -0.000214 0.000143 -0.000270 0.000592 -0.000101 33O 1f+1 -0.000042 -0.000133 0.000292 0.000178 -0.000531 -0.000500 33O 1f-1 -0.000088 -0.000050 0.000311 -0.000107 0.000212 0.000140 33O 1f+2 0.000024 0.000167 -0.000266 0.000206 -0.000731 0.000466 33O 1f-2 0.000191 -0.000152 -0.000412 -0.000364 -0.000232 -0.000390 33O 1f+3 0.000022 0.000099 -0.000040 0.000144 -0.000701 0.000053 33O 1f-3 0.000154 0.000068 -0.000208 -0.000147 -0.000376 0.000124 34O 1s 0.000093 0.003298 0.001406 0.009517 0.005473 -0.000387 34O 2s 0.000599 0.008204 0.003622 0.023707 0.012435 -0.000865 34O 3s -0.006417 -0.015511 -0.008844 -0.046866 -0.006341 -0.000702 34O 4s 0.031168 -0.010700 0.007383 -0.029605 -0.108265 0.021447 34O 5s -0.159723 -0.225296 -0.083988 -0.209225 -0.030052 -0.101890 34O 1pz -0.034996 0.028818 -0.014289 0.014872 0.036671 0.019474 34O 1px 0.010083 0.001807 0.004316 0.001407 -0.022992 0.016556 34O 1py -0.005368 -0.012711 -0.008120 0.017434 -0.051370 -0.006482 34O 2pz -0.024454 0.020970 -0.010215 0.010530 0.034922 0.008225 34O 2px 0.008522 -0.006656 0.000075 -0.005104 -0.023749 0.025930 34O 2py -0.008204 -0.009677 -0.004344 0.021500 -0.049710 -0.000132 34O 3pz -0.064905 0.099445 -0.039434 0.045905 0.015543 0.078867 34O 3px -0.069931 -0.065764 -0.012403 0.036281 -0.104700 -0.103294 34O 3py 0.011812 0.009123 -0.038157 -0.051553 0.019803 -0.079199 34O 1dz2 -0.000484 0.000170 -0.000338 -0.000225 -0.000152 -0.000202 34O 1dxz -0.000219 -0.001342 0.000927 0.000648 0.001223 -0.000214 34O 1dyz 0.000093 0.000284 -0.000708 -0.000494 -0.000598 -0.000884 34O 1dx2y2 0.000679 0.000481 0.000048 0.000331 -0.001091 0.001147 34O 1dxy 0.000373 -0.000476 0.000411 -0.000122 -0.001836 0.001770 34O 2dz2 0.001176 0.006167 -0.001563 -0.002124 0.002457 0.005125 34O 2dxz 0.000976 -0.000273 0.001879 0.001165 0.003533 0.000544 34O 2dyz -0.001208 0.003563 -0.002546 0.003830 -0.000044 -0.001496 34O 2dx2y2 -0.004864 -0.002423 -0.004494 0.002838 -0.005976 -0.004272 34O 2dxy 0.002623 0.002527 0.001277 -0.002500 -0.002942 0.004738 34O 1f0 -0.000005 0.000100 -0.000308 -0.000183 -0.000643 -0.000053 34O 1f+1 -0.000121 0.000579 -0.000196 -0.000120 0.000456 0.000149 34O 1f-1 0.000047 -0.000365 0.000137 0.000090 0.000097 -0.000207 34O 1f+2 0.000044 -0.000169 0.000374 0.000003 0.000610 -0.000235 34O 1f-2 0.000139 0.000046 -0.000268 -0.000197 -0.000028 -0.000080 34O 1f+3 -0.000018 0.000116 0.000262 0.000108 0.001017 -0.000065 34O 1f-3 -0.000318 0.000103 -0.000188 0.000264 0.000561 -0.000718 35O 1s 0.001966 0.000446 0.000466 0.001858 0.008378 -0.009681 35O 2s 0.004550 0.000990 0.000835 0.004613 0.019839 -0.024320 35O 3s -0.003685 -0.000359 0.001818 -0.008327 -0.023138 0.050599 35O 4s -0.037080 -0.011413 -0.022387 -0.016681 -0.104639 0.004266 35O 5s 0.092419 0.064406 0.206572 0.077928 -0.223366 0.552933 35O 1pz -0.019346 -0.019672 0.015856 -0.018812 0.048759 -0.017542 35O 1px -0.022152 -0.017801 0.001421 0.015418 -0.024779 0.002128 35O 1py 0.014144 0.010832 -0.003422 -0.009400 0.020793 -0.002007 35O 2pz -0.020639 -0.025141 0.009481 -0.014218 0.046039 -0.013585 35O 2px -0.019343 -0.014108 0.014029 0.004912 -0.029535 0.012096 35O 2py 0.008592 0.007260 0.002666 -0.005910 0.016622 -0.000214 35O 3pz -0.031964 0.008194 0.077257 -0.020908 -0.008483 -0.074214 35O 3px 0.011381 0.033539 0.071388 0.128510 -0.151875 0.193672 35O 3py 0.053735 0.035062 0.006659 -0.028224 -0.057098 0.035007 35O 1dz2 -0.000201 0.000084 0.000483 0.000292 0.000492 0.000177 35O 1dxz 0.000590 0.000249 -0.000659 0.000322 0.001612 0.000833 35O 1dyz 0.000262 0.000174 0.000243 0.000159 0.001383 0.000062 35O 1dx2y2 -0.000054 -0.000704 -0.001071 -0.001461 -0.000629 -0.001384 35O 1dxy -0.000035 0.000458 0.000580 0.001092 0.000838 -0.000254 35O 2dz2 -0.004337 -0.003775 0.000266 0.001116 0.004244 -0.004215 35O 2dxz 0.001986 0.001477 -0.000071 0.001516 0.003729 0.001204 35O 2dyz -0.000876 0.000736 0.000947 0.002035 0.001184 0.008204 35O 2dx2y2 0.002982 0.004444 0.003836 0.001773 -0.006805 0.010391 35O 2dxy 0.002545 0.004299 0.006056 0.004645 -0.003609 0.010126 35O 1f0 -0.000358 -0.000155 0.000131 0.000120 -0.000553 -0.000355 35O 1f+1 -0.000127 -0.000080 0.000137 0.000089 0.000674 -0.000526 35O 1f-1 -0.000060 -0.000051 -0.000051 -0.000143 0.000246 -0.000413 35O 1f+2 0.000023 0.000063 -0.000057 0.000087 0.000556 0.000188 35O 1f-2 0.000228 0.000215 0.000127 0.000203 0.000573 0.000352 35O 1f+3 0.000000 -0.000080 0.000285 0.000130 0.000896 -0.000358 35O 1f-3 0.000058 -0.000280 -0.000540 -0.000589 0.000468 -0.000689 144 145 146 147 148 149 0.14915 0.14989 0.16247 0.16257 0.16398 0.18724 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s 0.000531 -0.000553 0.002171 0.001514 0.001910 -0.003919 0Rh 2s -0.002060 0.001942 -0.007305 -0.005368 -0.006948 0.012563 0Rh 3s 0.001809 -0.002008 0.008094 0.005475 0.006799 -0.015004 0Rh 4s 0.009024 -0.008426 0.031582 0.023335 0.030264 -0.053992 0Rh 5s -0.007538 0.005611 -0.018555 -0.016054 -0.021742 0.024828 0Rh 6s -0.014464 0.018758 -0.080593 -0.050735 -0.062572 0.166032 0Rh 7s -0.029919 -0.098472 0.484465 0.268775 -0.005881 0.005495 0Rh 8s 0.082155 0.165014 -0.931838 -0.778029 0.441896 -1.289817 0Rh 1pz -0.002995 -0.000244 -0.002509 -0.008574 -0.006037 0.004568 0Rh 1px -0.002484 -0.001823 0.020775 0.007197 -0.004688 -0.006535 0Rh 1py 0.001178 -0.000515 0.009552 -0.003942 0.007416 0.005875 0Rh 2pz 0.010269 0.000842 0.008585 0.029525 0.020817 -0.015722 0Rh 2px 0.008539 0.006227 -0.071289 -0.024624 0.016139 0.022406 0Rh 2py -0.004069 0.001784 -0.032808 0.013659 -0.025589 -0.020223 0Rh 3pz -0.009130 -0.000857 -0.007422 -0.028762 -0.020806 0.015002 0Rh 3px -0.008046 -0.005146 0.064850 0.021016 -0.015612 -0.019828 0Rh 3py 0.004195 -0.001918 0.030284 -0.014844 0.025814 0.019274 0Rh 4pz -0.012418 -0.000547 -0.011341 -0.026277 -0.016383 0.015584 0Rh 4px -0.008568 -0.008870 0.081175 0.033621 -0.014814 -0.027882 0Rh 4py 0.002673 -0.000829 0.035625 -0.006259 0.019270 0.019765 0Rh 5pz -0.006219 -0.002177 0.000586 -0.031627 -0.028490 0.015678 0Rh 5px -0.008070 -0.000697 0.037175 -0.001798 -0.017089 -0.007827 0Rh 5py 0.006662 -0.003997 0.026227 -0.027164 0.036978 0.028310 0Rh 6pz -0.077213 -0.001390 -0.000756 0.271505 0.305187 -0.152335 0Rh 6px 0.075546 0.042264 -0.510393 0.062567 0.234346 0.108928 0Rh 6py -0.013950 -0.004326 -0.363710 0.307715 -0.343413 -0.414056 0Rh 1dz2 0.007224 -0.001423 -0.011144 -0.005630 -0.000137 0.011235 0Rh 1dxz -0.007645 0.003574 -0.018593 -0.007798 0.002687 0.007166 0Rh 1dyz 0.000543 -0.006416 -0.002881 0.000730 0.001388 0.003760 0Rh 1dx2y2 -0.003524 -0.002932 0.024705 0.013573 -0.000900 -0.010702 0Rh 1dxy 0.000859 -0.003494 0.000488 0.004567 0.000394 -0.019080 0Rh 2dz2 -0.000373 0.000089 0.000739 0.000037 -0.000255 -0.000097 0Rh 2dxz 0.000170 -0.000070 0.000841 0.000526 -0.000031 -0.000890 0Rh 2dyz -0.000042 0.000594 0.000483 -0.000094 0.000173 0.000190 0Rh 2dx2y2 0.000066 0.000169 -0.000912 -0.000544 0.000411 0.000744 0Rh 2dxy 0.000056 0.000406 -0.000758 -0.000104 -0.000190 -0.000287 0Rh 3dz2 -0.011041 0.002134 0.016247 0.009567 0.001275 -0.019219 0Rh 3dxz 0.012639 -0.005915 0.028880 0.011396 -0.004578 -0.008791 0Rh 3dyz -0.000753 0.008762 0.003010 -0.000886 -0.003124 -0.007319 0Rh 3dx2y2 0.005835 0.004372 -0.039054 -0.021292 -0.000080 0.015533 0Rh 3dxy -0.001659 0.004412 0.002260 -0.007495 0.000112 0.034507 0Rh 4dz2 -0.014819 0.002481 0.024151 0.008085 -0.003144 -0.016131 0Rh 4dxz 0.012707 -0.005755 0.035788 0.016854 -0.004467 -0.020584 0Rh 4dyz -0.001423 0.014674 0.010067 -0.002275 -0.000012 -0.002389 0Rh 4dx2y2 0.005890 0.005937 -0.045123 -0.025199 0.006684 0.023460 0Rh 4dxy -0.000558 0.009309 -0.009645 -0.007686 -0.002729 0.022264 0Rh 5dz2 -0.009702 0.011376 0.012518 0.024136 0.016845 -0.052618 0Rh 5dxz 0.024913 -0.010221 0.034424 0.012158 -0.003406 0.004261 0Rh 5dyz 0.002663 0.020601 -0.014161 0.004122 -0.009701 -0.033306 0Rh 5dx2y2 0.010354 0.006038 -0.059105 -0.033965 -0.022829 0.026877 0Rh 5dxy -0.007370 0.002465 0.029327 -0.014365 0.004431 0.097415 0Rh 1f0 0.001112 0.000564 0.002730 -0.000562 0.002545 0.001264 0Rh 1f+1 -0.001462 -0.000968 -0.000497 -0.002638 -0.001460 -0.000030 0Rh 1f-1 -0.001958 0.000500 0.002292 -0.005496 0.000811 0.001082 0Rh 1f+2 0.004492 0.000879 -0.004324 0.002380 0.004949 -0.000357 0Rh 1f-2 0.002057 -0.002072 -0.000189 -0.002389 0.004695 0.000133 0Rh 1f+3 -0.002308 0.000344 -0.003153 -0.001477 -0.003935 -0.000423 0Rh 1f-3 0.000413 0.001107 -0.000911 -0.002827 0.002474 -0.000251 1Rh 1s -0.000552 -0.000528 0.002762 0.000791 -0.001556 -0.004102 1Rh 2s 0.002130 0.001866 -0.009562 -0.002515 0.005738 0.013258 1Rh 3s -0.001885 -0.001910 0.010131 0.003039 -0.005490 -0.015638 1Rh 4s -0.009328 -0.008101 0.041463 0.010801 -0.025029 -0.057039 1Rh 5s 0.007725 0.005513 -0.026599 -0.005066 0.018514 0.027279 1Rh 6s 0.015217 0.017565 -0.097424 -0.032380 0.049778 0.171357 1Rh 7s 0.028527 -0.103074 0.510995 0.198187 0.080008 0.001234 1Rh 8s -0.077266 0.217836 -1.126964 -0.187509 -0.594373 -1.251967 1Rh 1pz -0.003111 -0.000082 0.008731 -0.003345 -0.005234 -0.004292 1Rh 1px -0.002137 0.001724 -0.018221 -0.010917 -0.007408 0.006245 1Rh 1py 0.001300 0.000414 -0.003865 -0.010193 0.006462 -0.005954 1Rh 2pz 0.010665 0.000279 -0.030037 0.011560 0.018061 0.014772 1Rh 2px 0.007343 -0.005879 0.062463 0.037503 0.025467 -0.021402 1Rh 2py -0.004485 -0.001435 0.013196 0.035093 -0.022317 0.020496 1Rh 3pz -0.009518 -0.000180 0.028723 -0.011968 -0.018249 -0.014101 1Rh 3px -0.006901 0.004708 -0.055679 -0.034945 -0.023997 0.018779 1Rh 3py 0.004562 0.001602 -0.010717 -0.033967 0.022906 -0.019551 1Rh 4pz -0.012763 -0.000649 0.028842 -0.007518 -0.013427 -0.014630 1Rh 4px -0.007421 0.008956 -0.075722 -0.039354 -0.025841 0.027244 1Rh 4py 0.003189 0.000419 -0.019929 -0.032071 0.015283 -0.019964 1Rh 5pz -0.006654 0.001284 0.026603 -0.019628 -0.026808 -0.014731 1Rh 5px -0.007118 -0.000641 -0.020531 -0.028428 -0.020946 0.006142 1Rh 5py 0.006882 0.003722 0.000037 -0.039534 0.035180 -0.028700 1Rh 6pz -0.074259 0.001696 -0.239750 0.159161 0.288106 0.130514 1Rh 6px 0.068269 -0.023680 0.250697 0.415654 0.287126 -0.073597 1Rh 6py -0.018389 0.003144 0.032208 0.493277 -0.315250 0.420850 1Rh 1dz2 -0.006903 -0.001559 -0.011599 -0.004834 -0.001436 0.011261 1Rh 1dxz 0.007904 0.004012 -0.017321 -0.008866 -0.005138 0.007133 1Rh 1dyz -0.000321 -0.006603 -0.001125 -0.002648 -0.001619 0.003728 1Rh 1dx2y2 0.003185 -0.003319 0.026007 0.010120 0.004545 -0.010643 1Rh 1dxy -0.000791 -0.003090 0.003844 -0.002571 -0.000112 -0.019070 1Rh 2dz2 0.000360 0.000101 0.000473 0.000524 0.000342 -0.000090 1Rh 2dxz -0.000186 -0.000081 0.000931 0.000298 0.000152 -0.000860 1Rh 2dyz 0.000012 0.000594 0.000259 0.000439 -0.000127 0.000199 1Rh 2dx2y2 -0.000056 0.000185 -0.000948 -0.000322 -0.000547 0.000722 1Rh 2dxy -0.000054 0.000389 -0.000579 -0.000523 0.000098 -0.000302 1Rh 3dz2 0.010538 0.002323 0.018112 0.006223 0.001087 -0.019295 1Rh 3dxz -0.013023 -0.006633 0.026292 0.014197 0.008344 -0.008852 1Rh 3dyz 0.000492 0.009085 0.000883 0.002790 0.003333 -0.007298 1Rh 3dx2y2 -0.005288 0.004974 -0.041170 -0.016203 -0.005680 0.015514 1Rh 3dxy 0.001534 0.003779 -0.004293 0.006606 -0.000222 0.034550 1Rh 4dz2 0.014241 0.002824 0.021495 0.012968 0.006343 -0.016050 1Rh 4dxz -0.013252 -0.006497 0.034879 0.015950 0.009290 -0.020152 1Rh 4dyz 0.000788 0.014935 0.004716 0.009241 0.000907 -0.002236 1Rh 4dx2y2 -0.005319 0.006676 -0.047198 -0.017910 -0.013358 0.023067 1Rh 4dxy 0.000495 0.008528 -0.012264 -0.002547 0.001234 0.022052 1Rh 5dz2 0.008603 0.011455 0.028962 -0.005249 -0.014173 -0.053528 1Rh 5dxz -0.025314 -0.011687 0.030361 0.017824 0.007824 0.002533 1Rh 5dyz -0.002798 0.021546 -0.007062 -0.013945 0.008372 -0.033662 1Rh 5dx2y2 -0.009149 0.006792 -0.066553 -0.024636 0.014149 0.028577 1Rh 5dxy 0.006894 0.001776 0.008002 0.032127 -0.001741 0.098324 1Rh 1f0 0.001186 -0.000579 -0.001567 -0.002564 0.002251 -0.001312 1Rh 1f+1 -0.001541 0.000841 0.002474 -0.001272 -0.001266 0.000120 1Rh 1f-1 -0.001928 -0.000819 0.002592 -0.005363 0.000842 -0.001053 1Rh 1f+2 0.004462 -0.000595 0.000466 0.004608 0.005277 0.000320 1Rh 1f-2 0.001960 0.002029 0.001452 -0.001621 0.004787 -0.000146 1Rh 1f+3 -0.002358 -0.000433 0.003513 0.001625 -0.003460 0.000550 1Rh 1f-3 0.000415 -0.001169 0.002480 -0.001266 0.002718 0.000282 2C 1s 0.005818 -0.004377 0.000839 -0.002459 -0.000508 0.000743 2C 2s 0.013425 -0.010055 0.001851 -0.005275 -0.001272 0.001204 2C 3s -0.041340 0.013016 0.001431 -0.014565 0.002715 0.013300 2C 4s 0.137024 -0.035085 -0.044890 0.071038 -0.038926 -0.088697 2C 5s -2.106562 3.298044 0.110707 1.574991 0.792515 -0.866535 2C 1pz 0.009315 0.030790 -0.009211 0.103097 0.033979 -0.023518 2C 1px 0.031859 0.022755 0.017151 0.075528 0.025855 -0.059577 2C 1py -0.060202 0.017603 0.001155 0.047244 -0.009437 0.021874 2C 2pz -0.029733 0.124362 -0.023750 0.129753 0.028821 -0.057192 2C 2px 0.009718 0.027026 0.010514 0.058219 0.024187 -0.009079 2C 2py -0.029666 0.079023 -0.002286 0.082465 0.020377 -0.004334 2C 3pz -0.863654 1.523006 0.065331 1.565676 0.668744 -0.301834 2C 3px -0.032080 0.381087 0.070476 0.345967 0.270510 0.048305 2C 3py -1.133963 1.068053 0.059542 0.927317 0.136409 -0.017504 2C 1dz2 0.009208 -0.009331 -0.001859 -0.010740 -0.003984 -0.003418 2C 1dxz 0.009764 -0.005332 0.001959 -0.001908 0.003128 0.002678 2C 1dyz 0.013395 -0.014615 -0.002564 -0.015803 -0.007676 -0.004529 2C 1dx2y2 -0.003786 0.004865 -0.000757 0.005291 0.001789 -0.004747 2C 1dxy -0.000301 -0.002607 0.001258 -0.001732 -0.002887 0.002698 2C 2dz2 -0.027902 0.032254 -0.000374 -0.004951 -0.001947 0.011664 2C 2dxz 0.004396 0.030883 0.004933 0.025448 0.011757 -0.039398 2C 2dyz -0.037693 0.043915 -0.002494 -0.010636 0.008368 0.033405 2C 2dx2y2 0.006576 -0.023067 -0.001399 -0.007470 -0.001839 0.021001 2C 2dxy -0.025418 0.009058 0.002691 -0.001456 -0.004164 0.010509 2C 1f0 0.000770 -0.000216 -0.000361 -0.000341 0.000374 0.001700 2C 1f+1 -0.003150 0.001225 0.000209 -0.001727 0.000155 0.004502 2C 1f-1 -0.002768 0.005117 0.000051 0.003733 0.000829 -0.002216 2C 1f+2 -0.000349 -0.000467 0.000854 -0.000656 -0.000042 -0.003212 2C 1f-2 0.002883 0.001028 0.000072 0.005687 0.001113 -0.003486 2C 1f+3 -0.002332 0.003111 0.000883 -0.000988 0.001301 0.001801 2C 1f-3 -0.002380 -0.000034 -0.000294 -0.003901 -0.000510 0.006359 3C 1s 0.004277 0.003258 0.000224 0.000445 -0.001242 0.000939 3C 2s 0.009950 0.007490 0.000540 0.001152 -0.002606 0.001834 3C 3s -0.035091 -0.007182 -0.008217 -0.002979 -0.020419 0.005652 3C 4s 0.130485 0.036526 -0.003694 0.022582 0.090375 -0.043746 3C 5s -1.827976 -3.278557 0.682753 -0.513726 1.145865 -0.819162 3C 1pz 0.006350 0.000001 -0.006702 0.012888 0.003892 0.038771 3C 1px -0.001581 -0.026513 0.031412 -0.006617 0.046053 -0.012742 3C 1py -0.001104 0.031525 -0.054773 0.011355 -0.114895 0.041288 3C 2pz -0.018128 -0.063133 0.024465 -0.006767 0.045066 0.022573 3C 2px -0.015680 -0.051522 0.016282 -0.017756 0.051038 -0.015635 3C 2py 0.015215 0.113867 -0.046352 0.019674 -0.133960 0.054952 3C 3pz -0.381626 -0.866471 0.260167 0.054508 0.567991 -0.369540 3C 3px -0.337463 -0.647706 0.280966 -0.157891 0.445772 -0.013246 3C 3py 0.912633 1.579756 -0.780452 0.369335 -1.265955 0.109721 3C 1dz2 -0.003060 -0.002361 0.001896 -0.001113 0.001187 0.004262 3C 1dxz 0.003973 0.004477 -0.004797 -0.000367 -0.003104 -0.002763 3C 1dyz -0.010985 -0.013105 0.007191 -0.005753 0.011460 0.000868 3C 1dx2y2 -0.006276 -0.009830 0.003192 -0.000039 0.006912 -0.002548 3C 1dxy -0.006113 -0.007895 0.004486 0.000441 0.004220 0.002831 3C 2dz2 0.001555 0.008907 0.001147 -0.003256 0.004139 -0.003455 3C 2dxz -0.018414 -0.027992 0.008471 -0.002306 0.001383 0.006307 3C 2dyz 0.041105 0.031223 0.017153 0.011279 0.025179 -0.045580 3C 2dx2y2 0.020641 0.039931 -0.006652 0.006992 -0.006721 0.014301 3C 2dxy 0.021844 0.035081 -0.007566 0.006363 -0.010324 0.016031 3C 1f0 0.003067 0.004394 -0.001831 0.000790 -0.002015 0.002940 3C 1f+1 -0.000075 0.001222 -0.002215 -0.000144 -0.001670 0.002529 3C 1f-1 0.003352 0.000900 0.001352 0.000131 0.003402 -0.004195 3C 1f+2 -0.002407 0.001297 -0.002619 -0.000105 -0.005164 0.001180 3C 1f-2 -0.000254 0.001352 0.000053 0.000469 -0.002411 -0.000043 3C 1f+3 -0.002729 -0.003358 -0.000022 -0.000503 -0.000883 0.003091 3C 1f-3 0.002068 0.000659 0.001969 0.000947 0.003240 -0.004314 4C 1s -0.014506 0.016630 0.006981 0.030713 0.008747 -0.000002 4C 2s -0.032031 0.036493 0.015372 0.068951 0.019586 -0.001784 4C 3s 0.051701 -0.025391 -0.034357 -0.104126 -0.028288 0.033065 4C 4s 0.158948 -0.329280 -0.061916 -0.359114 -0.111299 -0.191635 4C 5s 1.230769 -2.456843 0.418884 -3.005657 -0.920286 2.151076 4C 1pz -0.097260 0.078740 -0.012800 0.032549 0.000300 0.026324 4C 1px -0.018954 0.015479 0.008038 0.023180 0.010662 0.027628 4C 1py -0.004938 0.045095 -0.002827 0.036961 0.054674 -0.010575 4C 2pz -0.226103 0.190610 -0.010159 0.032308 -0.010841 -0.001284 4C 2px -0.029356 -0.002083 0.071281 0.018131 0.042928 0.305428 4C 2py -0.055496 0.087585 0.025822 0.029475 0.102347 0.032628 4C 3pz -1.028874 1.826518 0.131049 1.104741 0.446883 -0.508218 4C 3px -0.086851 0.202796 0.266273 0.388823 0.257702 0.528260 4C 3py -0.591739 1.199843 0.159291 0.832677 0.220722 0.042458 4C 1dz2 0.000320 0.002216 -0.000925 0.002756 -0.000707 0.002093 4C 1dxz -0.001047 0.000873 -0.002054 -0.006714 -0.003191 0.001896 4C 1dyz 0.002156 0.001779 -0.002761 0.009802 0.002382 -0.006472 4C 1dx2y2 0.000319 -0.001177 0.000113 0.008769 -0.000028 -0.007075 4C 1dxy -0.000582 -0.000204 -0.001210 0.005311 -0.000966 -0.004949 4C 2dz2 0.003388 -0.028664 -0.004188 -0.010450 -0.007486 -0.056277 4C 2dxz 0.006604 -0.036717 0.008404 -0.029108 0.010254 0.101496 4C 2dyz 0.008918 -0.040562 0.012000 0.004990 -0.008751 -0.021008 4C 2dx2y2 -0.019554 0.023519 0.010632 0.018411 0.002463 0.006808 4C 2dxy 0.000502 -0.012520 0.026634 0.008791 0.010218 0.080490 4C 1f0 0.001233 0.001743 -0.000185 0.000340 0.001348 -0.001817 4C 1f+1 0.000408 0.002087 0.001464 -0.001154 0.001904 0.003368 4C 1f-1 -0.002550 0.006810 -0.000671 0.003374 0.000625 -0.004113 4C 1f+2 0.001740 -0.003149 -0.001077 0.000580 -0.001316 -0.004487 4C 1f-2 -0.000929 0.001741 0.001632 0.002033 0.000057 0.006257 4C 1f+3 0.001358 0.000840 -0.000235 0.000402 0.001981 -0.003412 4C 1f-3 -0.002251 0.001915 -0.000100 -0.001430 -0.002765 -0.003557 5C 1s -0.009829 -0.016762 0.019142 -0.000406 0.022724 -0.002007 5C 2s -0.021357 -0.036785 0.042837 -0.000832 0.051244 -0.006173 5C 3s 0.031989 0.032091 -0.080032 -0.011063 -0.072788 0.026744 5C 4s 0.130540 0.300817 -0.181630 0.057118 -0.266196 -0.086207 5C 5s 0.717256 2.272769 -0.951845 0.599478 -2.762343 2.229671 5C 1pz -0.051845 -0.037290 0.020468 -0.038123 0.018518 0.024466 5C 1px -0.023666 -0.029877 -0.003514 -0.016050 0.027585 -0.014611 5C 1py 0.051238 0.070718 0.000509 0.005057 -0.019635 -0.013976 5C 2pz -0.129529 -0.088881 0.072975 -0.040974 -0.002655 0.122032 5C 2px -0.082649 -0.048591 -0.079205 -0.101326 0.006986 -0.112905 5C 2py 0.155669 0.176399 -0.028782 -0.016742 0.010059 -0.084106 5C 3pz -0.474942 -1.157033 0.412429 0.041305 0.507018 0.134382 5C 3px -0.298518 -0.697538 -0.036996 -0.232751 0.425661 -0.553468 5C 3py 0.830007 1.867407 -0.700973 0.185981 -0.838269 0.052611 5C 1dz2 -0.001910 -0.000247 -0.002771 -0.002361 -0.007224 0.005190 5C 1dxz -0.000874 -0.000542 -0.001731 -0.001025 -0.004989 0.006807 5C 1dyz -0.004644 0.000904 -0.003324 0.001460 -0.012606 0.007553 5C 1dx2y2 0.001484 0.002239 0.004625 0.000189 0.002917 -0.002700 5C 1dxy -0.000670 -0.000065 0.000253 0.000251 -0.000519 -0.000677 5C 2dz2 0.001631 -0.001047 -0.003487 0.003686 0.003994 -0.000594 5C 2dxz 0.006739 0.028504 -0.029399 -0.010614 -0.010860 -0.032884 5C 2dyz -0.012122 -0.025154 -0.037934 -0.034178 -0.011119 -0.009015 5C 2dx2y2 -0.028889 -0.045874 -0.001267 -0.012530 0.018296 -0.013358 5C 2dxy -0.007626 -0.037933 0.038963 0.016597 0.017459 0.048624 5C 1f0 0.001530 0.003616 -0.002768 0.000753 -0.002936 -0.001729 5C 1f+1 0.001353 -0.000640 0.000218 0.002790 -0.001274 0.001261 5C 1f-1 -0.000363 0.000270 -0.000782 -0.000633 0.000795 -0.001959 5C 1f+2 0.000340 0.004297 -0.000364 -0.001287 -0.002104 0.001178 5C 1f-2 0.002035 0.003285 0.002171 0.002843 0.000839 0.002685 5C 1f+3 -0.001467 -0.004015 0.000261 -0.000867 0.000197 -0.000666 5C 1f-3 0.001853 0.002005 -0.001733 0.000642 0.001062 -0.001300 6C 1s 0.010029 -0.017343 0.014611 0.016048 -0.020316 -0.001896 6C 2s 0.021775 -0.038099 0.032799 0.035878 -0.045857 -0.005949 6C 3s -0.031490 0.034554 -0.068153 -0.057660 0.062522 0.026801 6C 4s -0.137973 0.303908 -0.104804 -0.189350 0.243463 -0.090376 6C 5s -0.764070 2.335998 -0.484382 -1.259929 2.667464 2.239971 6C 1pz -0.053209 0.035302 0.013241 -0.042597 0.017689 -0.025153 6C 1px -0.024703 0.029571 0.010663 -0.009677 0.028826 0.016467 6C 1py 0.053062 -0.074212 -0.001127 0.003624 -0.020173 0.013774 6C 2pz -0.131447 0.086741 -0.016179 -0.085341 -0.009281 -0.123130 6C 2px -0.087029 0.045527 0.125497 -0.006376 0.020736 0.114864 6C 2py 0.159052 -0.182409 0.032490 0.010260 0.013202 0.083385 6C 3pz -0.502305 1.172922 -0.359048 -0.319511 0.454768 -0.139421 6C 3px -0.323923 0.704910 0.147455 -0.148368 0.440193 0.579466 6C 3py 0.876173 -1.896280 0.410983 0.711050 -0.762394 -0.049402 6C 1dz2 0.002004 -0.000019 -0.004357 -0.000861 0.006725 0.005134 6C 1dxz 0.000943 -0.000491 -0.002454 -0.000882 0.004715 0.006896 6C 1dyz 0.004682 0.001115 -0.002383 -0.004095 0.012221 0.007610 6C 1dx2y2 -0.001594 0.002133 0.003365 0.003539 -0.002311 -0.002607 6C 1dxy 0.000653 -0.000003 0.000325 0.000010 0.000539 -0.000818 6C 2dz2 -0.001836 -0.000522 0.001158 -0.004771 -0.004193 -0.001153 6C 2dxz -0.006860 0.029572 -0.028015 -0.016408 0.007113 -0.033072 6C 2dyz 0.013802 -0.024560 -0.050994 -0.007297 0.005089 -0.008949 6C 2dx2y2 0.030697 -0.045272 -0.008314 0.008297 -0.018380 -0.012365 6C 2dxy 0.007416 -0.038345 0.039621 0.020289 -0.012449 0.048532 6C 1f0 0.001587 -0.003585 0.001515 0.002795 -0.002646 0.001739 6C 1f+1 0.001396 0.000787 -0.002130 0.001730 -0.001405 -0.001237 6C 1f-1 -0.000385 -0.000385 0.000894 0.000135 0.000887 0.001929 6C 1f+2 0.000427 -0.004474 0.001472 -0.000461 -0.001979 -0.001196 6C 1f-2 0.002222 -0.003242 -0.003595 0.000154 0.000462 -0.002684 6C 1f+3 -0.001559 0.003963 0.000413 -0.000761 0.000209 0.000657 6C 1f-3 0.001889 -0.001879 0.000553 0.001732 0.001231 0.001201 7C 1s 0.013439 0.017348 0.029140 -0.013990 -0.006360 0.000180 7C 2s 0.029666 0.038047 0.065203 -0.031644 -0.014266 -0.001394 7C 3s -0.048940 -0.027911 -0.105271 0.039347 0.018790 0.033363 7C 4s -0.142712 -0.337376 -0.330178 0.177412 0.086783 -0.199584 7C 5s -1.114575 -2.505749 -2.148227 2.219319 0.817991 2.147539 7C 1pz -0.093902 -0.084633 -0.018252 0.030080 0.000306 -0.027224 7C 1px -0.017789 -0.016820 -0.024488 0.008086 0.008601 -0.025956 7C 1py -0.003282 -0.047391 -0.033158 0.024073 0.052680 0.011021 7C 2pz -0.219044 -0.205897 -0.020908 0.027910 -0.011214 0.000236 7C 2px -0.027917 -0.002575 -0.063090 -0.046489 0.033163 -0.303337 7C 2py -0.051551 -0.096207 -0.052758 -0.004301 0.097190 -0.031118 7C 3pz -0.951343 -1.892775 -0.996447 0.592079 0.370626 0.499474 7C 3px -0.070752 -0.207402 -0.492460 0.034866 0.203206 -0.501658 7C 3py -0.546545 -1.246343 -0.775688 0.406569 0.156690 -0.034558 7C 1dz2 -0.000415 0.002230 0.001399 -0.002486 0.000722 0.002105 7C 1dxz 0.001127 0.000999 -0.006795 0.002650 0.002596 0.002059 7C 1dyz -0.002292 0.001376 0.005954 -0.008387 -0.002186 -0.006531 7C 1dx2y2 -0.000392 -0.001364 0.006673 -0.005544 0.000481 -0.007037 7C 1dxy 0.000548 -0.000406 0.003113 -0.004377 0.001103 -0.004828 7C 2dz2 -0.002535 -0.029725 -0.011347 0.002825 0.006084 -0.057196 7C 2dxz -0.005412 -0.036499 -0.016163 0.026237 -0.010960 0.101658 7C 2dyz -0.007912 -0.041590 0.009894 0.005525 0.010405 -0.021486 7C 2dx2y2 0.018838 0.024814 0.021702 -0.003597 0.000086 0.006545 7C 2dxy -0.000398 -0.011874 0.024331 0.015607 -0.006239 0.080503 7C 1f0 0.001313 -0.001677 -0.000263 0.000287 0.001357 0.001811 7C 1f+1 0.000537 -0.002166 -0.000261 -0.001947 0.001824 -0.003438 7C 1f-1 -0.002292 -0.006940 -0.002288 0.002685 0.000529 0.004081 7C 1f+2 0.001576 0.003328 0.000479 0.001256 -0.001283 0.004488 7C 1f-2 -0.000831 -0.001808 -0.002569 0.000015 -0.000246 -0.006351 7C 1f+3 0.001429 -0.000807 -0.000422 0.000395 0.001999 0.003371 7C 1f-3 -0.002183 -0.001977 0.001403 -0.000713 -0.002609 0.003545 8C 1s -0.004395 0.003440 0.000346 -0.000148 0.001304 0.000930 8C 2s -0.010223 0.007895 0.000925 -0.000408 0.002763 0.001816 8C 3s 0.035630 -0.007700 -0.009473 -0.005114 0.018948 0.005516 8C 4s -0.131945 0.035913 0.021755 -0.015715 -0.088464 -0.042254 8C 5s 1.916654 -3.322360 0.204113 0.935503 -1.091831 -0.829240 8C 1pz 0.006348 0.004890 -0.006035 0.013972 0.004417 -0.038665 8C 1px -0.001339 0.027496 -0.020813 -0.030871 0.043485 0.013217 8C 1py -0.000911 -0.031246 0.039128 0.055157 -0.107550 -0.040724 8C 2pz -0.019658 0.065019 -0.015866 -0.025480 0.042243 -0.023613 8C 2px -0.016733 0.051806 -0.003092 -0.026932 0.050297 0.016702 8C 2py 0.017600 -0.115380 0.030081 0.055213 -0.128124 -0.054290 8C 3pz -0.397904 0.918777 -0.280218 -0.187464 0.534984 0.378346 8C 3px -0.349791 0.655274 -0.116300 -0.340152 0.419207 -0.008173 8C 3py 0.951356 -1.599488 0.373740 0.912930 -1.184086 -0.116623 8C 1dz2 0.003149 -0.002339 0.000500 0.002305 -0.001016 0.004283 8C 1dxz -0.004089 0.004677 -0.003682 -0.003708 0.002490 -0.002761 8C 1dyz 0.011298 -0.013126 0.001657 0.009921 -0.010824 0.000813 8C 1dx2y2 0.006472 -0.010336 0.002944 0.002799 -0.006547 -0.002652 8C 1dxy 0.006235 -0.008304 0.003785 0.003296 -0.003626 0.002988 8C 2dz2 -0.001802 0.010124 -0.001190 0.003567 -0.004074 -0.003418 8C 2dxz 0.018867 -0.028266 0.004227 0.008258 -0.000745 0.006124 8C 2dyz -0.042575 0.031768 0.022059 0.006747 -0.022505 -0.045550 8C 2dx2y2 -0.021548 0.039389 0.000108 -0.009938 0.005935 0.013699 8C 2dxy -0.022658 0.034653 -0.001713 -0.010894 0.009874 0.016426 8C 1f0 0.003174 -0.004326 0.000858 0.002038 -0.001791 -0.002909 8C 1f+1 -0.000185 -0.001188 0.001749 0.001697 -0.001469 -0.002546 8C 1f-1 0.003391 -0.000900 -0.001309 -0.001091 0.003186 0.004168 8C 1f+2 -0.002417 -0.001362 0.002293 0.002143 -0.004775 -0.001095 8C 1f-2 -0.000279 -0.001343 -0.000080 0.000395 -0.002479 -0.000028 8C 1f+3 -0.002864 0.003505 0.000485 -0.000272 -0.000856 -0.003071 8C 1f-3 0.002110 -0.000647 -0.002349 -0.001051 0.002932 0.004337 9C 1s -0.005576 -0.004761 -0.001508 0.002236 0.000490 0.000795 9C 2s -0.012885 -0.010971 -0.003247 0.004825 0.001246 0.001321 9C 3s 0.040755 0.016864 -0.009018 0.010722 -0.003571 0.012984 9C 4s -0.136188 -0.050263 0.018149 -0.083829 0.038644 -0.089077 9C 5s 1.975472 3.459734 1.404721 -0.895306 -0.698695 -0.868284 9C 1pz 0.010865 -0.028824 -0.075265 0.071425 0.029118 0.022313 9C 1px 0.033456 -0.021230 -0.070851 0.035273 0.019893 0.059374 9C 1py -0.057683 -0.019813 -0.038306 0.030440 -0.010843 -0.020452 9C 2pz -0.025415 -0.124684 -0.086952 0.100165 0.024350 0.055529 9C 2px 0.010881 -0.026614 -0.053068 0.028857 0.019873 0.009407 9C 2py -0.025754 -0.080410 -0.065421 0.054627 0.017152 0.004638 9C 3pz -0.790162 -1.572458 -1.326072 0.927131 0.576545 0.309417 9C 3px -0.010108 -0.393028 -0.342237 0.155612 0.243765 -0.074097 9C 3py -1.081803 -1.136672 -0.784099 0.543952 0.087691 0.005944 9C 1dz2 -0.008580 -0.009854 -0.009973 0.005253 0.003231 -0.003302 9C 1dxz -0.009516 -0.005709 0.000071 0.002801 -0.002973 0.002645 9C 1dyz -0.012753 -0.015631 -0.014819 0.007823 0.006495 -0.004739 9C 1dx2y2 0.003454 0.005038 0.003881 -0.003957 -0.001733 -0.004928 9C 1dxy 0.000380 -0.002632 -0.000915 0.001921 0.002930 0.002483 9C 2dz2 0.027054 0.033676 -0.004278 0.003268 0.001789 0.012751 9C 2dxz -0.005355 0.031111 0.023862 -0.012504 -0.009633 -0.039858 9C 2dyz 0.035878 0.047605 -0.007621 0.005437 -0.009385 0.033355 9C 2dx2y2 -0.006380 -0.024242 -0.007146 0.004006 0.001203 0.021352 9C 2dxy 0.024665 0.010581 0.000988 0.002847 0.003979 0.010360 9C 1f0 0.000779 0.000374 0.000551 -0.000013 0.000390 -0.001805 9C 1f+1 -0.003024 -0.001390 0.001082 -0.001305 0.000249 -0.004533 9C 1f-1 -0.002621 -0.005288 -0.003003 0.002310 0.000639 0.002124 9C 1f+2 -0.000506 0.000390 0.000069 -0.001172 -0.000100 0.003094 9C 1f-2 0.002866 -0.000795 -0.004431 0.003565 0.000770 0.003516 9C 1f+3 -0.002157 -0.003422 -0.000069 -0.001320 0.001245 -0.001667 9C 1f-3 -0.002490 -0.000309 0.003211 -0.002399 -0.000231 -0.006503 10H 1s -0.019539 0.016707 -0.007281 0.012901 -0.003777 -0.016687 10H 2s -0.065793 0.097174 0.000239 0.102642 -0.014666 -0.230391 10H 3s -0.182934 -0.120846 -0.174546 0.187961 -0.106388 0.200075 10H 1pz -0.005261 0.013699 0.003873 0.015564 0.007186 -0.012828 10H 1px -0.002765 -0.002111 -0.001825 0.003862 0.002575 0.016773 10H 1py -0.009539 0.009375 0.002658 0.010410 0.001113 -0.002868 11H 1s -0.001273 0.015886 0.003892 0.025322 0.019773 0.001498 11H 2s -0.088741 0.017627 0.004433 -0.055830 0.040736 0.169662 11H 3s 0.802526 0.048154 0.096103 0.879707 0.533788 -0.415173 11H 1pz -0.019743 0.007423 -0.001164 -0.005096 -0.001902 0.012133 11H 1px -0.014007 -0.001307 0.000580 -0.014379 -0.004140 0.020802 11H 1py 0.001342 0.008186 0.001348 0.017432 0.005482 -0.004525 12H 1s -0.017181 0.016217 0.006442 0.022705 0.005695 0.016175 12H 2s -0.050688 0.049714 0.027049 0.018775 0.033263 0.159470 12H 3s -0.374694 0.052102 0.110454 0.505101 -0.140220 0.182572 12H 1pz -0.010581 0.011115 0.000501 0.014383 0.004087 -0.002084 12H 1px 0.003590 0.000162 0.000848 -0.003791 0.005239 0.009056 12H 1py -0.003525 0.006360 -0.000360 -0.003842 0.003441 0.005694 13H 1s -0.008221 -0.013184 0.012142 0.005868 0.007863 0.008885 13H 2s -0.057525 -0.087430 0.110224 0.039516 0.044923 -0.017509 13H 3s 0.204373 0.145182 0.029884 0.199619 0.217160 0.139041 13H 1pz -0.006505 -0.010733 0.006403 0.000977 0.003809 -0.008451 13H 1px 0.001008 -0.001324 -0.000653 -0.000150 0.007269 0.000673 13H 1py 0.009633 0.013127 -0.009658 0.003249 -0.010808 0.002842 14H 1s -0.008211 -0.017879 0.002987 -0.003161 0.017861 -0.010352 14H 2s -0.058844 -0.052973 -0.019741 -0.021216 0.032613 -0.076204 14H 3s 0.195542 -0.067043 0.128316 0.086615 0.331801 0.007124 14H 1pz -0.005622 -0.005911 0.000891 0.001074 0.001109 -0.005875 14H 1px -0.007920 -0.001996 -0.003396 -0.004395 -0.003504 -0.002709 14H 1py 0.007285 0.010292 -0.007833 0.002407 -0.009840 -0.003238 15H 1s -0.012098 -0.017807 0.014499 -0.012278 0.022468 0.001903 15H 2s -0.088092 -0.018424 -0.042083 -0.052905 -0.076285 0.188264 15H 3s 0.033016 -0.143551 0.596632 -0.280022 0.904775 -0.196844 15H 1pz 0.000059 -0.008895 0.012801 -0.001370 0.020339 -0.010340 15H 1px -0.003645 -0.002240 -0.003102 -0.001538 -0.002490 0.004513 15H 1py 0.011111 0.005222 0.006858 0.000070 0.012385 -0.017111 16H 1s 0.014333 -0.001823 0.003429 0.019268 0.003607 -0.009869 16H 2s 0.056254 0.013398 -0.048994 0.042856 0.028556 -0.074691 16H 3s 0.247515 -0.120922 0.317970 0.349346 -0.013752 0.092986 16H 1pz -0.004746 0.003836 -0.012653 -0.007276 0.001862 -0.005519 16H 1px 0.002602 -0.000663 0.000036 0.004378 0.001375 -0.001898 16H 1py -0.002472 0.001595 -0.004659 -0.002640 0.000416 -0.002095 17H 1s -0.018333 0.000984 0.011541 -0.000412 -0.022165 0.005323 17H 2s -0.057886 0.000321 -0.016649 -0.028081 -0.064822 0.007190 17H 3s -0.344531 0.043448 0.408875 0.090574 -0.323301 0.276513 17H 1pz -0.003077 0.000636 0.007786 0.002976 -0.000881 0.003380 17H 1px -0.007465 0.000963 0.010164 0.002133 -0.007534 0.003897 17H 1py 0.004551 -0.000525 -0.006585 -0.001829 0.002945 -0.003680 18H 1s 0.018237 0.001173 0.004841 0.008509 0.023195 0.005633 18H 2s 0.058357 0.001722 -0.037191 0.004522 0.060037 0.007002 18H 3s 0.337152 0.042187 0.296330 0.243353 0.372371 0.282322 18H 1pz -0.003074 -0.000598 -0.007198 -0.004010 -0.002076 -0.003585 18H 1px -0.007350 -0.000985 -0.007267 -0.006140 -0.008792 -0.004119 18H 1py 0.004323 0.000423 0.005037 0.003597 0.003662 0.003718 19H 1s -0.014180 -0.003040 0.016854 -0.010110 -0.001712 -0.009709 19H 2s -0.055653 0.009741 0.003852 -0.065473 -0.030112 -0.075435 19H 3s -0.247102 -0.142654 0.459443 0.009715 0.073269 0.096887 19H 1pz -0.004629 -0.004173 0.013060 0.004735 0.003745 0.005754 19H 1px 0.002597 0.000962 -0.003511 0.002771 0.000992 0.001830 19H 1py -0.002536 -0.001891 0.005101 0.001909 0.001208 0.002310 20H 1s 0.012566 -0.017428 0.002541 0.020524 -0.021198 0.001748 20H 2s 0.090940 -0.019517 -0.075388 0.000120 0.067765 0.186693 20H 3s -0.033443 -0.102391 0.267336 0.692935 -0.835788 -0.189196 20H 1pz 0.000049 0.008650 -0.009476 -0.011741 0.018693 0.010196 20H 1px -0.003803 0.002355 0.003438 0.001647 -0.002165 -0.004763 20H 1py 0.011429 -0.006078 -0.005657 -0.005741 0.011315 0.016874 21H 1s 0.008550 -0.018426 0.001899 0.005113 -0.017650 -0.010381 21H 2s 0.060568 -0.050396 -0.024099 -0.000832 -0.034203 -0.073780 21H 3s -0.204257 -0.098516 0.188653 0.047343 -0.315904 0.014202 21H 1pz -0.005831 0.005952 -0.001491 -0.000006 0.000793 0.005866 21H 1px -0.008188 0.001205 0.005922 -0.000225 -0.003055 0.002483 21H 1py 0.007448 -0.010596 0.004388 0.008085 -0.008974 0.003375 22H 1s 0.008414 -0.014352 0.013193 0.005912 -0.006044 0.009078 22H 2s 0.057319 -0.091090 0.106932 0.061747 -0.030676 -0.018103 22H 3s -0.207450 0.111994 0.190809 -0.099596 -0.199841 0.127392 22H 1pz -0.006542 0.010832 -0.005439 -0.004440 0.003137 0.008439 22H 1px 0.000928 0.001786 -0.000245 0.000146 0.007248 -0.000665 22H 1py 0.009877 -0.013155 0.005106 0.010233 -0.009820 -0.003045 23H 1s 0.016314 0.017484 0.022306 -0.009362 -0.003734 0.016206 23H 2s 0.049372 0.055794 0.033047 0.012293 -0.027932 0.164100 23H 3s 0.362015 0.059931 0.448255 -0.246493 0.175585 0.191894 23H 1pz -0.009955 -0.011634 -0.011967 0.008697 0.003291 0.001976 23H 1px 0.003453 -0.000312 0.001775 -0.003326 0.005207 -0.009317 23H 1py -0.003400 -0.006891 0.003030 -0.002579 0.003651 -0.006092 24H 1s 0.000405 0.016250 0.024202 -0.012431 -0.017907 0.001726 24H 2s 0.086319 0.025530 -0.030641 0.041893 -0.044240 0.169169 24H 3s -0.804096 0.001369 0.775578 -0.473048 -0.466872 -0.400500 24H 1pz -0.019197 -0.008699 0.004204 -0.002332 -0.001280 -0.011698 24H 1px -0.014118 0.000282 0.010887 -0.009785 -0.003381 -0.020961 24H 1py 0.001451 -0.008065 -0.014509 0.009829 0.004266 0.003949 25H 1s 0.018835 0.017282 0.005074 -0.013963 0.003454 -0.016639 25H 2s 0.061930 0.099784 0.078417 -0.067919 0.019316 -0.232743 25H 3s 0.180091 -0.135737 0.019481 -0.254798 0.093016 0.183264 25H 1pz -0.004617 -0.014287 -0.015348 0.006865 0.005894 0.013141 25H 1px -0.002587 0.002255 -0.002037 0.003582 0.002599 -0.016733 25H 1py -0.009102 -0.009935 -0.009923 0.004664 0.000330 0.002644 26O 1s -0.002265 -0.000330 0.005970 -0.011680 0.002899 0.008832 26O 2s -0.005831 -0.000214 0.014899 -0.028933 0.007221 0.022609 26O 3s 0.015081 -0.010467 -0.029534 0.053814 -0.013973 -0.049342 26O 4s -0.019816 0.062917 -0.009797 0.047815 -0.008743 0.013266 26O 5s 0.234093 -0.257085 -0.416640 0.340194 -0.149403 -1.035375 26O 1pz 0.010065 -0.004895 -0.041083 0.012521 -0.021779 0.032879 26O 1px 0.000503 -0.012872 0.004380 -0.047593 -0.031692 -0.003497 26O 1py 0.022923 -0.009845 -0.012855 -0.022067 0.037380 0.038968 26O 2pz 0.005521 0.012352 -0.032691 0.027909 -0.017824 0.010224 26O 2px 0.008524 -0.023809 0.011565 -0.053259 -0.024949 0.037284 26O 2py 0.019838 -0.003850 -0.003568 -0.015027 0.039368 0.041947 26O 3pz 0.095471 -0.192596 -0.082209 -0.060830 -0.045207 0.185540 26O 3px -0.141200 0.066184 0.149269 -0.078848 0.020856 0.399911 26O 3py -0.002427 -0.093558 0.014452 -0.079607 0.034623 0.278353 26O 1dz2 0.000169 0.000355 0.001197 0.001024 0.000466 -0.001230 26O 1dxz 0.002176 -0.001789 -0.000111 -0.000991 0.000583 -0.000061 26O 1dyz 0.000185 -0.000174 0.001029 0.000401 0.000061 -0.000991 26O 1dx2y2 -0.000279 0.000540 0.000207 -0.000270 0.001441 0.002405 26O 1dxy -0.000329 -0.000673 -0.000165 -0.001042 -0.000468 0.001764 26O 2dz2 -0.002857 -0.001040 0.007364 0.005189 0.004324 0.012391 26O 2dxz 0.003193 -0.002071 -0.001172 -0.004438 0.001294 0.000078 26O 2dyz 0.002918 -0.001252 0.001302 0.010712 -0.000418 -0.006731 26O 2dx2y2 0.006780 0.002155 -0.008990 0.002718 -0.000502 -0.022752 26O 2dxy 0.007285 0.000493 -0.009731 0.002010 -0.004026 -0.022492 26O 1f0 0.000531 -0.000520 0.000346 -0.000081 0.000050 -0.000323 26O 1f+1 0.000163 0.000549 -0.000969 0.000193 -0.000159 -0.000697 26O 1f-1 0.000232 0.000087 -0.000272 0.000294 -0.000226 -0.000354 26O 1f+2 -0.000331 0.000529 -0.000296 0.000467 0.000035 -0.000324 26O 1f-2 -0.000430 0.000485 -0.000677 -0.000283 -0.000167 0.000589 26O 1f+3 0.000029 0.000752 -0.000803 0.000467 0.000404 -0.000557 26O 1f-3 0.000391 0.000428 -0.000658 0.000607 -0.000220 -0.001397 27O 1s -0.005146 -0.002019 -0.007696 -0.001005 -0.011147 -0.005583 27O 2s -0.012980 -0.005559 -0.019456 -0.002770 -0.027623 -0.013927 27O 3s 0.028070 0.020336 0.040505 0.008356 0.051779 0.026689 27O 4s -0.008744 -0.051592 0.010421 -0.015278 0.038540 0.020658 27O 5s 0.408695 0.419569 0.364824 0.191550 0.429560 0.210654 27O 1pz -0.002521 0.005729 -0.004879 -0.050706 0.010779 0.027791 27O 1px -0.004288 0.015791 -0.001815 0.000245 -0.052651 0.050786 27O 1py -0.022027 -0.015004 0.057508 0.004023 -0.022809 0.011837 27O 2pz -0.003881 -0.006868 0.005671 -0.043629 0.013706 0.029173 27O 2px -0.005021 0.018891 -0.023975 -0.012383 -0.054223 0.013550 27O 2py -0.015734 0.001305 0.049212 0.000860 -0.030511 0.038952 27O 3pz 0.064577 0.141492 -0.044221 -0.056492 0.009466 0.074961 27O 3px -0.186328 -0.105133 -0.054373 -0.064609 -0.161524 0.153853 27O 3py -0.049934 -0.168611 0.116438 0.034847 0.024007 -0.159541 27O 1dz2 0.000648 0.000175 0.000658 0.000610 0.000651 -0.000115 27O 1dxz 0.001369 0.001068 -0.000499 0.001191 -0.000104 -0.001013 27O 1dyz 0.000190 0.000784 -0.000880 -0.000821 -0.000221 0.001627 27O 1dx2y2 -0.000709 0.000003 -0.002775 -0.000660 -0.000860 -0.000385 27O 1dxy -0.000616 -0.001292 0.000380 0.000274 0.000460 0.000213 27O 2dz2 -0.006559 -0.001778 -0.001329 -0.000705 -0.005947 0.004401 27O 2dxz -0.000294 0.001122 -0.004151 0.001493 -0.001669 -0.003608 27O 2dyz -0.004914 -0.000320 -0.005779 -0.003437 -0.010278 0.004843 27O 2dx2y2 0.008506 0.002103 -0.002794 0.004006 0.002235 0.004603 27O 2dxy -0.007326 -0.002709 0.000116 -0.001191 -0.002775 0.000846 27O 1f0 -0.000042 0.000355 -0.000110 0.000435 -0.000589 -0.000324 27O 1f+1 0.000497 -0.000203 0.000024 0.000153 0.000785 -0.000283 27O 1f-1 -0.000287 -0.000151 -0.000196 -0.000090 -0.000150 0.000073 27O 1f+2 -0.000168 -0.000496 -0.000040 -0.000442 0.000311 0.000267 27O 1f-2 0.000110 -0.000019 0.000310 0.000277 0.000392 -0.001013 27O 1f+3 0.000470 -0.000503 -0.000376 0.000008 0.000967 0.000620 27O 1f-3 -0.000666 -0.000477 -0.000326 -0.000194 0.000010 0.000426 28O 1s -0.006161 0.002143 -0.000060 -0.015648 -0.006344 -0.009015 28O 2s -0.015622 0.006070 -0.000477 -0.039006 -0.015743 -0.022192 28O 3s 0.035242 -0.023792 0.004228 0.076661 0.028924 0.035591 28O 4s -0.017329 0.067098 -0.015517 0.039181 0.030738 0.063823 28O 5s 0.453144 -0.532529 0.064725 0.536386 0.222325 0.557419 28O 1pz 0.012109 -0.014180 -0.034464 -0.021631 -0.029534 0.031949 28O 1px -0.005426 0.023011 -0.033256 0.054348 -0.014911 -0.050268 28O 1py 0.002314 -0.001155 -0.044074 -0.019672 0.025406 -0.009770 28O 2pz 0.009553 0.000378 -0.037111 -0.014653 -0.034353 -0.029501 28O 2px -0.004117 0.022055 -0.016300 0.060872 0.000789 0.006912 28O 2py -0.003835 0.008038 -0.041207 -0.015291 0.023153 -0.018739 28O 3pz -0.053219 -0.056612 -0.069208 -0.097659 -0.062601 0.135483 28O 3px 0.170116 -0.176443 -0.067376 0.057318 -0.019256 0.086796 28O 3py 0.037917 -0.104563 -0.065194 -0.047342 0.020477 0.074156 28O 1dz2 0.001356 -0.001230 -0.000056 -0.001438 0.000336 -0.001288 28O 1dxz 0.000439 0.000200 0.001480 0.001886 0.000896 0.000947 28O 1dyz -0.000602 -0.000036 0.001164 -0.000145 -0.001062 -0.000888 28O 1dx2y2 -0.001192 0.001329 -0.000958 -0.000256 0.000305 -0.001434 28O 1dxy -0.000374 0.001131 0.000500 0.001095 0.001159 -0.001335 28O 2dz2 0.007222 -0.003163 -0.000613 0.002227 0.003526 -0.004817 28O 2dxz -0.009279 0.005447 0.004386 0.006455 0.000292 -0.016727 28O 2dyz 0.002659 -0.002952 0.000581 0.009874 -0.001896 -0.001903 28O 2dx2y2 0.007513 -0.001724 -0.000865 0.001026 0.003713 0.013147 28O 2dxy -0.000266 0.001243 0.001163 0.007132 0.003026 -0.004416 28O 1f0 -0.000074 0.000402 -0.000433 0.000278 -0.000089 0.001174 28O 1f+1 0.000798 -0.000581 0.000332 -0.000147 0.000209 -0.000162 28O 1f-1 0.000042 0.000144 -0.000238 0.000188 0.000292 0.001094 28O 1f+2 -0.000596 -0.000349 0.000569 -0.000675 -0.000348 -0.001027 28O 1f-2 0.000294 -0.000410 0.000296 0.000366 -0.000409 -0.000484 28O 1f+3 -0.000069 -0.000581 0.000410 -0.000528 -0.000192 -0.000709 28O 1f-3 0.000059 -0.000323 0.000064 -0.000524 -0.000391 0.000315 29O 1s 0.000084 0.000184 -0.003207 0.001545 -0.001911 -0.002963 29O 2s 0.000095 0.000392 -0.006982 0.004286 -0.004963 -0.006676 29O 3s 0.001710 0.000441 -0.002632 -0.015663 0.013502 0.002760 29O 4s -0.008824 -0.004646 0.079773 0.029464 -0.013417 0.051574 29O 5s 0.020338 0.001901 -0.102755 -0.155043 0.122679 -0.011443 29O 1pz 0.043702 -0.016185 0.029670 0.028043 0.002585 -0.008297 29O 1px 0.028814 -0.000773 -0.075674 -0.032878 0.041262 -0.016650 29O 1py -0.004243 -0.003860 0.049929 0.001445 0.005967 0.050254 29O 2pz 0.032016 -0.010311 0.021346 0.020752 -0.000737 -0.016055 29O 2px 0.020711 -0.002433 -0.047567 -0.027013 0.035532 -0.003454 29O 2py -0.000703 -0.002966 0.038475 -0.006374 0.013931 0.050617 29O 3pz 0.138249 -0.021367 0.034786 0.086408 0.058886 -0.029738 29O 3px 0.079084 0.009629 -0.180254 -0.029939 0.074370 -0.092015 29O 3py -0.022038 0.001995 0.033486 0.028798 -0.044775 0.003313 29O 1dz2 0.000562 0.000090 0.000468 0.001058 0.000529 -0.000323 29O 1dxz -0.000770 -0.000072 0.001315 -0.000292 -0.001241 0.000478 29O 1dyz 0.001029 0.000251 -0.000745 0.000753 0.000878 -0.001037 29O 1dx2y2 -0.000040 -0.000034 -0.000656 -0.000500 -0.000069 0.000413 29O 1dxy 0.000531 0.000039 0.000630 0.000051 0.000816 0.000552 29O 2dz2 0.003106 -0.001411 0.005421 0.005943 0.000158 0.000589 29O 2dxz -0.005621 0.000273 0.006394 -0.001255 -0.006287 0.002236 29O 2dyz 0.002621 -0.001322 -0.001441 0.001817 0.000368 -0.001268 29O 2dx2y2 -0.001746 0.000221 0.000561 -0.000885 -0.001116 0.002488 29O 2dxy 0.002606 -0.000687 0.000351 -0.002982 0.005887 0.003488 29O 1f0 0.000332 0.000024 -0.000594 -0.000052 0.000098 -0.000506 29O 1f+1 0.000137 -0.000087 0.000154 -0.000083 0.000106 0.000143 29O 1f-1 -0.000053 0.000211 -0.000900 -0.000639 0.000300 -0.000234 29O 1f+2 0.000344 -0.000098 0.000121 0.000261 0.000221 -0.000023 29O 1f-2 0.000279 -0.000012 -0.000807 -0.000299 0.000489 -0.000040 29O 1f+3 -0.000223 0.000045 0.000192 0.000191 -0.000358 -0.000295 29O 1f-3 0.000006 0.000026 -0.000183 -0.000162 0.000174 0.000026 30O 1s -0.006352 -0.001382 0.000043 0.003252 -0.017855 0.007186 30O 2s -0.016045 -0.003968 -0.000003 0.008059 -0.044414 0.018515 30O 3s 0.035509 0.016764 0.002411 -0.014238 0.086468 -0.043221 30O 4s -0.011843 -0.053532 -0.007606 -0.010732 0.048103 0.032955 30O 5s 0.411117 0.460512 -0.234881 -0.287097 0.634786 -0.899477 30O 1pz 0.000483 0.020046 -0.021275 -0.039095 -0.024002 0.018348 30O 1px 0.015123 -0.005769 0.007212 -0.007687 0.050941 0.000848 30O 1py -0.022982 -0.019516 0.041159 -0.018836 -0.003422 -0.043446 30O 2pz 0.002730 0.011852 -0.009342 -0.028497 -0.021279 0.020048 30O 2px 0.011105 -0.012667 -0.001648 -0.020224 0.057870 -0.019430 30O 2py -0.016857 -0.005261 0.020850 -0.027375 -0.008199 -0.045675 30O 3pz -0.048779 0.020570 0.020178 -0.001789 -0.070832 0.211416 30O 3px 0.163093 0.221657 -0.135714 -0.091136 0.089896 -0.221245 30O 3py -0.002650 -0.088539 0.041198 -0.052527 0.055525 -0.290528 30O 1dz2 0.001015 0.000834 -0.000968 0.000761 -0.000185 0.000497 30O 1dxz 0.000343 0.000070 0.000753 -0.000041 0.000611 -0.001138 30O 1dyz -0.000015 -0.000115 -0.000685 -0.000995 0.001211 -0.000635 30O 1dx2y2 -0.000694 -0.001579 0.000171 0.000538 0.001001 0.001448 30O 1dxy -0.000012 0.000852 -0.001182 -0.000741 -0.000848 0.001850 30O 2dz2 -0.002878 -0.000970 -0.000974 0.005361 -0.007017 0.008252 30O 2dxz -0.003829 -0.003379 0.011004 0.006492 0.000259 0.008953 30O 2dyz -0.010253 -0.005140 0.004830 0.002431 -0.009672 0.015132 30O 2dx2y2 0.000494 -0.000840 -0.005855 -0.001948 0.000891 -0.004662 30O 2dxy 0.003983 0.004832 -0.014643 -0.008379 -0.005697 -0.009947 30O 1f0 0.000204 -0.000158 -0.000206 -0.000343 0.000376 -0.000809 30O 1f+1 0.000067 0.000300 -0.000215 0.000447 -0.000449 0.000113 30O 1f-1 0.000212 0.000103 0.000279 0.000509 0.000034 -0.000194 30O 1f+2 0.000089 0.000548 0.000947 0.000639 -0.000772 -0.000004 30O 1f-2 -0.000664 -0.000150 0.000255 0.000359 -0.000792 0.001272 30O 1f+3 0.000374 0.000599 0.000336 0.000114 -0.000258 -0.000184 30O 1f-3 -0.000184 0.000307 0.000967 0.000817 -0.000427 0.000137 31O 1s 0.006351 -0.001388 0.000557 -0.002924 0.017865 0.007357 31O 2s 0.016060 -0.003994 0.001294 -0.007333 0.044423 0.018949 31O 3s -0.035867 0.016941 0.000083 0.015144 -0.086139 -0.044171 31O 4s 0.013736 -0.054380 -0.007596 0.003694 -0.049143 0.032974 31O 5s -0.417571 0.468260 -0.299156 0.032927 -0.669275 -0.910589 31O 1pz 0.000339 -0.020804 0.046080 -0.007621 -0.019359 -0.017705 31O 1px 0.015294 0.007561 -0.004139 -0.012860 0.050363 -0.000922 31O 1py -0.023180 0.018784 -0.011859 -0.043390 -0.007255 0.043523 31O 2pz 0.002808 -0.012089 0.030167 -0.009952 -0.018504 -0.019546 31O 2px 0.010670 0.013910 0.010120 -0.014516 0.058679 0.019569 31O 2py -0.017217 0.004439 0.008113 -0.033041 -0.009364 0.045826 31O 3pz -0.047816 -0.019912 -0.003502 -0.013733 -0.071883 -0.212238 31O 3px 0.166310 -0.223649 0.147559 0.042625 0.108477 0.219726 31O 3py -0.004664 0.086893 0.006559 -0.067936 0.053062 0.292822 31O 1dz2 -0.001029 0.000798 -0.000070 -0.001262 0.000115 0.000536 31O 1dxz -0.000341 0.000099 0.000513 0.000638 -0.000500 -0.001140 31O 1dyz 0.000036 -0.000099 -0.001048 0.000184 -0.001332 -0.000690 31O 1dx2y2 0.000718 -0.001655 0.000647 -0.000154 -0.000967 0.001391 31O 1dxy 0.000012 0.000887 -0.001429 -0.000453 0.000667 0.001885 31O 2dz2 0.002829 -0.001198 0.002690 -0.004607 0.007087 0.008264 31O 2dxz 0.003657 -0.003747 0.012020 0.004257 0.001289 0.008919 31O 2dyz 0.010275 -0.005080 0.003977 0.001767 0.010198 0.015096 31O 2dx2y2 -0.000370 -0.000893 -0.005104 -0.003222 -0.001644 -0.004662 31O 2dxy -0.003749 0.005265 -0.016410 -0.006068 0.003618 -0.009882 31O 1f0 0.000193 0.000149 0.000351 -0.000079 0.000413 0.000801 31O 1f+1 0.000075 -0.000299 -0.000146 0.000479 -0.000446 -0.000111 31O 1f-1 0.000226 -0.000089 -0.000565 0.000119 -0.000026 0.000189 31O 1f+2 0.000127 -0.000556 -0.001001 -0.000270 -0.000908 0.000000 31O 1f-2 -0.000658 0.000160 -0.000356 0.000073 -0.000828 -0.001266 31O 1f+3 0.000397 -0.000624 -0.000269 -0.000167 -0.000302 0.000188 31O 1f-3 -0.000150 -0.000301 -0.001191 -0.000186 -0.000575 -0.000133 32O 1s 0.000042 -0.000037 -0.001083 -0.003506 0.001685 -0.003094 32O 2s 0.000197 -0.000167 -0.001750 -0.008260 0.004536 -0.006990 32O 3s -0.001980 0.001691 -0.011990 0.008686 -0.014863 0.003165 32O 4s 0.006981 -0.004787 0.071519 0.040749 0.023609 0.052928 32O 5s -0.019333 0.012549 -0.169802 0.027778 -0.143306 -0.009797 32O 1pz 0.043644 0.017936 -0.038483 -0.002733 -0.002425 0.008584 32O 1px 0.027397 -0.000427 0.069102 0.034857 0.051560 0.019668 32O 1py -0.002342 0.004788 -0.033822 -0.036930 0.000746 -0.049857 32O 2pz 0.031947 0.011560 -0.027852 -0.001222 -0.004604 0.016522 32O 2px 0.019778 0.001181 0.047368 0.017470 0.042341 0.005937 32O 2py 0.000807 0.003357 -0.021474 -0.033656 0.010341 -0.049875 32O 3pz 0.138764 0.027582 -0.090074 0.030505 0.049719 0.028915 32O 3px 0.075686 -0.008517 0.130429 0.115362 0.095686 0.097108 32O 3py -0.018292 0.001663 -0.039655 -0.003624 -0.048146 -0.001993 32O 1dz2 -0.000529 0.000031 0.001147 -0.000285 -0.000345 -0.000263 32O 1dxz 0.000775 -0.000041 0.000471 0.001159 0.001370 0.000515 32O 1dyz -0.001046 0.000205 0.000207 -0.001050 -0.000899 -0.001042 32O 1dx2y2 0.000088 -0.000027 -0.000817 -0.000156 -0.000012 0.000386 32O 1dxy -0.000515 0.000004 0.000510 0.000487 -0.000698 0.000581 32O 2dz2 -0.002947 -0.001682 0.007850 0.000327 0.000947 0.000832 32O 2dxz 0.005635 0.000468 0.002414 0.005453 0.006975 0.002376 32O 2dyz -0.002543 -0.001512 0.000764 -0.002190 -0.000285 -0.001144 32O 2dx2y2 0.001798 0.000351 -0.000415 0.000990 0.001169 0.002317 32O 2dxy -0.002532 -0.000529 -0.001284 0.002548 -0.005880 0.003447 32O 1f0 0.000333 -0.000002 0.000345 0.000404 0.000143 0.000499 32O 1f+1 0.000124 0.000085 -0.000081 -0.000195 0.000069 -0.000150 32O 1f-1 -0.000016 -0.000224 0.001025 0.000284 0.000467 0.000293 32O 1f+2 0.000337 0.000118 -0.000329 0.000060 0.000169 0.000006 32O 1f-2 0.000290 0.000017 0.000669 0.000394 0.000612 0.000054 32O 1f+3 -0.000211 -0.000051 -0.000213 0.000001 -0.000378 0.000286 32O 1f-3 -0.000010 -0.000044 0.000228 0.000025 0.000191 -0.000006 33O 1s 0.006220 0.002643 -0.012597 0.009720 0.005470 -0.008861 33O 2s 0.015743 0.007338 -0.031591 0.023982 0.013525 -0.021804 33O 3s -0.035045 -0.026685 0.063794 -0.044742 -0.024136 0.034738 33O 4s 0.014523 0.068856 0.024409 -0.035420 -0.030554 0.063835 33O 5s -0.440844 -0.569287 0.462211 -0.284048 -0.186088 0.549709 33O 1pz 0.010632 0.015426 0.041945 0.013653 -0.024393 -0.031457 33O 1px -0.004610 -0.021545 -0.018451 0.061417 -0.013653 0.050389 33O 1py 0.001932 0.001966 0.040158 0.019831 0.031574 0.009734 33O 2pz 0.008493 0.000972 0.038898 0.020691 -0.029304 0.030269 33O 2px -0.002889 -0.021253 -0.035790 0.051641 -0.000285 -0.006910 33O 2py -0.003944 -0.007508 0.035216 0.020654 0.028641 0.019008 33O 3pz -0.057544 0.051757 0.122181 -0.007733 -0.049781 -0.138018 33O 3px 0.163577 0.191969 0.005695 0.089025 -0.013459 -0.088612 33O 3py 0.033204 0.107569 0.075994 0.017426 0.030378 -0.076764 33O 1dz2 -0.001293 -0.001298 -0.001112 0.000896 -0.000413 -0.001222 33O 1dxz -0.000490 0.000161 0.002466 -0.000035 -0.000626 0.000913 33O 1dyz 0.000589 -0.000016 0.000510 0.000939 0.001182 -0.000873 33O 1dx2y2 0.001156 0.001425 -0.000753 -0.000558 -0.000427 -0.001464 33O 1dxy 0.000308 0.001165 0.001303 -0.000287 -0.001044 -0.001377 33O 2dz2 -0.007094 -0.003649 0.001511 -0.001765 -0.003466 -0.004811 33O 2dxz 0.008921 0.006056 0.008071 -0.000845 0.000554 -0.016835 33O 2dyz -0.002725 -0.003433 0.007586 -0.006009 0.002438 -0.001942 33O 2dx2y2 -0.007476 -0.002125 0.000415 -0.001109 -0.003779 0.013302 33O 2dxy 0.000150 0.001184 0.006550 -0.003583 -0.002499 -0.004517 33O 1f0 -0.000060 -0.000398 0.000072 0.000511 -0.000051 -0.001175 33O 1f+1 0.000773 0.000634 -0.000098 -0.000357 0.000173 0.000167 33O 1f-1 0.000042 -0.000154 -0.000027 0.000286 0.000306 -0.001089 33O 1f+2 -0.000607 0.000303 0.000179 -0.000854 -0.000382 0.001038 33O 1f-2 0.000290 0.000443 -0.000413 0.000033 -0.000458 0.000480 33O 1f+3 -0.000091 0.000574 0.000156 -0.000642 -0.000215 0.000727 33O 1f-3 0.000046 0.000318 0.000404 -0.000370 -0.000368 -0.000319 34O 1s 0.005346 -0.001716 -0.006775 -0.005714 0.010078 -0.006041 34O 2s 0.013502 -0.004811 -0.017245 -0.014272 0.024912 -0.015060 34O 3s -0.029452 0.018973 0.037275 0.027768 -0.046004 0.028829 34O 4s 0.010324 -0.053117 -0.001023 0.019684 -0.038093 0.022307 34O 5s -0.431983 0.408684 0.421402 0.171637 -0.372885 0.224689 34O 1pz -0.002998 -0.006850 0.040675 -0.029735 0.014009 -0.027595 34O 1px -0.003711 -0.016935 0.006829 0.003955 -0.051824 -0.050730 34O 1py -0.021788 0.014472 -0.037340 -0.040450 -0.029579 -0.011003 34O 2pz -0.004473 0.006333 0.028248 -0.033483 0.015430 -0.028877 34O 2px -0.005030 -0.020619 0.030808 0.012850 -0.050365 -0.013619 34O 2py -0.015173 -0.002005 -0.028570 -0.035723 -0.036168 -0.038230 34O 3pz 0.067832 -0.143429 0.071223 -0.002186 0.017135 -0.075106 34O 3px -0.192098 0.103510 0.101127 0.005901 -0.150451 -0.152388 34O 3py -0.052384 0.171452 -0.105466 -0.067923 0.009285 0.160511 34O 1dz2 -0.000668 0.000156 0.000945 0.000140 -0.000532 -0.000068 34O 1dxz -0.001412 0.001023 0.000571 -0.001183 0.000102 -0.001035 34O 1dyz -0.000192 0.000829 -0.001220 -0.000149 0.000077 0.001634 34O 1dx2y2 0.000765 -0.000025 -0.002363 -0.001730 0.000495 -0.000405 34O 1dxy 0.000638 -0.001369 0.000512 0.000119 -0.000404 0.000273 34O 2dz2 0.006730 -0.001804 -0.002045 -0.000788 0.005757 0.004407 34O 2dxz 0.000339 0.001118 -0.001713 -0.004239 0.001277 -0.003646 34O 2dyz 0.005038 -0.000024 -0.007365 -0.002670 0.009339 0.004770 34O 2dx2y2 -0.008665 0.001993 0.001457 -0.004617 -0.002424 0.004467 34O 2dxy 0.007422 -0.002723 -0.001044 0.000740 0.002716 0.000921 34O 1f0 -0.000033 -0.000356 -0.000194 0.000398 -0.000595 0.000333 34O 1f+1 0.000497 0.000216 -0.000216 0.000049 0.000768 0.000287 34O 1f-1 -0.000295 0.000151 0.000206 0.000095 -0.000120 -0.000072 34O 1f+2 -0.000185 0.000506 0.000317 -0.000277 0.000340 -0.000255 34O 1f-2 0.000118 0.000028 -0.000454 -0.000075 0.000339 0.001025 34O 1f+3 0.000453 0.000530 0.000135 0.000241 0.001004 -0.000634 34O 1f-3 -0.000685 0.000495 0.000347 0.000118 0.000060 -0.000426 35O 1s 0.002251 0.000343 -0.004687 0.012254 -0.002805 0.008364 35O 2s 0.005770 0.001479 -0.011527 0.030441 -0.006978 0.021450 35O 3s -0.014482 -0.014047 0.020050 -0.057997 0.013361 -0.047156 35O 4s 0.017075 0.063049 0.029782 -0.039059 0.009902 0.014770 35O 5s -0.221754 -0.297063 -0.027563 -0.546595 0.115001 -1.015305 35O 1pz 0.009084 0.006006 0.019585 0.040496 -0.017670 -0.033243 35O 1px -0.000779 0.012423 0.037029 -0.032449 -0.029651 0.003450 35O 1py 0.022951 0.010917 0.020820 -0.005964 0.040032 -0.039255 35O 2pz 0.005248 -0.011679 0.002092 0.044000 -0.015609 -0.010282 35O 2px 0.006743 0.023097 0.036427 -0.042202 -0.023761 -0.037080 35O 2py 0.020204 0.004677 0.009185 -0.008506 0.040542 -0.041691 35O 3pz 0.087026 0.200169 0.105527 0.024929 -0.032447 -0.186308 35O 3px -0.137598 -0.082051 -0.039227 -0.166573 0.006160 -0.396505 35O 3py -0.005664 0.091989 0.048819 -0.065806 0.036098 -0.279878 35O 1dz2 -0.000214 0.000335 0.001592 0.000275 -0.000277 -0.001200 35O 1dxz -0.002099 -0.001907 -0.000784 0.000576 -0.000637 -0.000116 35O 1dyz -0.000201 -0.000178 0.000977 0.000526 0.000077 -0.001037 35O 1dx2y2 0.000249 0.000617 0.000087 0.000394 -0.001415 0.002382 35O 1dxy 0.000367 -0.000638 -0.000961 0.000545 0.000398 0.001715 35O 2dz2 0.002756 -0.000744 0.009044 0.002578 -0.003124 0.012488 35O 2dxz -0.002998 -0.002222 -0.004061 0.002030 -0.001653 0.000077 35O 2dyz -0.003028 -0.001842 0.008897 -0.005991 0.001079 -0.006719 35O 2dx2y2 -0.006676 0.001373 -0.003760 -0.008770 -0.000434 -0.022579 35O 2dxy -0.007156 -0.000291 -0.005231 -0.009062 0.002912 -0.022478 35O 1f0 0.000512 0.000557 -0.000153 -0.000318 0.000012 0.000322 35O 1f+1 0.000168 -0.000513 0.000482 0.000879 -0.000052 0.000691 35O 1f-1 0.000234 -0.000052 -0.000022 0.000413 -0.000207 0.000334 35O 1f+2 -0.000308 -0.000550 -0.000180 0.000526 0.000047 0.000340 35O 1f-2 -0.000425 -0.000516 0.000660 0.000339 -0.000074 -0.000605 35O 1f+3 0.000041 -0.000732 0.000108 0.000898 0.000471 0.000543 35O 1f-3 0.000404 -0.000376 -0.000015 0.000911 -0.000166 0.001387 150 151 152 153 154 155 0.19770 0.20097 0.20582 0.21322 0.21934 0.22118 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s 0.000361 0.007578 0.000264 0.002180 -0.001407 -0.001572 0Rh 2s -0.001254 -0.029260 -0.000659 -0.006969 0.005471 0.006188 0Rh 3s 0.001325 0.025930 0.001129 0.008357 -0.004789 -0.005306 0Rh 4s 0.005455 0.128611 0.002714 0.029964 -0.024103 -0.027290 0Rh 5s -0.003638 -0.108003 0.000846 -0.013194 0.020650 0.023965 0Rh 6s -0.012227 -0.208258 -0.016697 -0.095543 0.037421 0.040585 0Rh 7s 0.077325 0.261040 -0.038196 -0.325755 -0.081042 -0.050696 0Rh 8s -0.100022 -2.320559 0.286172 1.578406 0.565144 0.453647 0Rh 1pz 0.001061 0.010652 -0.008332 0.007330 0.001464 0.006407 0Rh 1px 0.006033 -0.013195 -0.007649 -0.003163 0.004332 0.005421 0Rh 1py -0.003198 -0.004104 0.003444 0.005107 -0.008048 0.003584 0Rh 2pz -0.003644 -0.036700 0.028712 -0.025164 -0.005082 -0.021994 0Rh 2px -0.020729 0.045683 0.026328 0.010854 -0.014911 -0.018707 0Rh 2py 0.011007 0.014128 -0.011868 -0.017705 0.027655 -0.012363 0Rh 3pz 0.003301 0.035603 -0.027892 0.022543 0.005673 0.019598 0Rh 3px 0.019062 -0.048716 -0.025029 -0.009696 0.014066 0.018661 0Rh 3py -0.010403 -0.013481 0.011492 0.019111 -0.025164 0.012196 0Rh 4pz 0.004337 0.034008 -0.026232 0.030692 0.001370 0.027491 0Rh 4px 0.023405 -0.025185 -0.026600 -0.013834 0.015932 0.015415 0Rh 4py -0.011295 -0.014014 0.011042 0.009152 -0.032605 0.010586 0Rh 5pz 0.004170 0.043484 -0.042040 0.017124 0.013348 0.011384 0Rh 5px 0.012359 -0.088050 -0.024662 0.001757 0.008583 0.027539 0Rh 5py -0.013623 -0.014343 0.017244 0.039761 -0.020546 0.015925 0Rh 6pz -0.006759 -0.971223 0.574947 -0.324675 -0.059600 -0.399166 0Rh 6px -0.184772 1.789595 0.340449 0.077188 -0.249556 -0.626092 0Rh 6py 0.148111 0.395360 -0.211736 -0.408807 0.665322 -0.225161 0Rh 1dz2 0.007509 -0.004336 -0.003736 0.005774 0.000134 -0.000456 0Rh 1dxz -0.004435 -0.000139 0.017647 -0.010954 0.000317 0.004993 0Rh 1dyz -0.006263 -0.000884 0.006803 -0.002320 0.003335 -0.003522 0Rh 1dx2y2 0.005218 0.005777 0.008372 0.000961 0.004280 -0.002280 0Rh 1dxy 0.009113 0.001968 -0.005174 -0.006574 -0.002427 -0.000686 0Rh 2dz2 -0.000118 -0.000251 -0.000643 -0.000079 0.000098 -0.000189 0Rh 2dxz 0.000153 -0.000896 0.000262 -0.000112 -0.000131 -0.000544 0Rh 2dyz -0.000345 -0.000219 -0.000165 0.000567 0.000428 -0.000203 0Rh 2dx2y2 -0.000653 0.000668 0.000384 0.000466 -0.000462 -0.000372 0Rh 2dxy -0.000082 0.000511 -0.000178 -0.000387 0.000648 -0.000530 0Rh 3dz2 -0.012757 0.008605 0.009202 -0.009916 -0.000655 0.001611 0Rh 3dxz 0.007130 0.003773 -0.032173 0.019821 -0.000018 -0.006664 0Rh 3dyz 0.012409 0.002386 -0.011208 0.001733 -0.007617 0.007057 0Rh 3dx2y2 -0.006504 -0.012708 -0.016278 -0.003546 -0.005717 0.005460 0Rh 3dxy -0.015635 -0.005490 0.009779 0.013196 0.001636 0.003299 0Rh 4dz2 -0.011869 0.001855 -0.003459 -0.008758 0.001142 -0.001869 0Rh 4dxz 0.007765 -0.011805 -0.020551 0.012665 -0.001818 -0.012625 0Rh 4dyz 0.004139 -0.001495 -0.012046 0.010864 0.001218 0.002102 0Rh 4dx2y2 -0.015582 0.002035 -0.006612 0.005176 -0.011078 -0.001574 0Rh 4dxy -0.013235 0.004035 0.004229 0.004207 0.010991 -0.005225 0Rh 5dz2 -0.015402 0.046403 0.057715 -0.014014 -0.003253 0.014073 0Rh 5dxz 0.011038 0.062001 -0.080939 0.065341 0.004223 -0.007367 0Rh 5dyz 0.053968 0.016757 -0.005790 -0.032617 -0.040660 0.024992 0Rh 5dx2y2 0.019609 -0.088718 -0.054119 -0.051541 -0.004047 0.031627 0Rh 5dxy -0.028816 -0.041586 0.036380 0.037301 -0.016865 0.024579 0Rh 1f0 0.001141 -0.001744 0.000509 -0.000786 -0.001259 0.002175 0Rh 1f+1 -0.001046 0.003964 0.000511 0.000869 0.000157 0.003237 0Rh 1f-1 0.000228 0.001959 -0.001638 0.001512 -0.000264 0.003709 0Rh 1f+2 -0.000758 -0.000329 0.002254 0.001491 -0.002080 -0.004756 0Rh 1f-2 -0.001395 -0.000161 0.001500 0.001048 -0.004016 0.000705 0Rh 1f+3 0.000045 0.004838 0.000280 0.002616 0.003572 0.000232 0Rh 1f-3 0.000671 0.001292 0.000079 0.000832 -0.003706 0.001071 1Rh 1s 0.000730 -0.007486 0.000270 0.002047 0.001483 0.001491 1Rh 2s -0.002676 0.028951 -0.000675 -0.006457 -0.005725 -0.005909 1Rh 3s 0.002585 -0.025586 0.001150 0.007902 0.005076 0.005007 1Rh 4s 0.011705 -0.127275 0.002782 0.027711 0.025201 0.026078 1Rh 5s -0.008883 0.107234 0.000829 -0.011305 -0.021238 -0.023219 1Rh 6s -0.022367 0.204758 -0.016945 -0.091888 -0.040520 -0.037567 1Rh 7s 0.090393 -0.251245 -0.037861 -0.332163 0.072493 0.056938 1Rh 8s -0.217519 2.316872 0.286969 1.624950 -0.521472 -0.489073 1Rh 1pz -0.001441 0.010804 0.008318 -0.007074 0.001319 0.006637 1Rh 1px -0.005332 -0.013682 0.007599 0.002943 0.004344 0.005584 1Rh 1py 0.003580 -0.003711 -0.003316 -0.004832 -0.008216 0.003639 1Rh 2pz 0.004955 -0.037223 -0.028668 0.024284 -0.004584 -0.022781 1Rh 2px 0.018302 0.047357 -0.026156 -0.010095 -0.014951 -0.019269 1Rh 2py -0.012322 0.012771 0.011429 0.016759 0.028235 -0.012553 1Rh 3pz -0.004601 0.036094 0.027879 -0.021721 0.005278 0.020271 1Rh 3px -0.016467 -0.050218 0.024850 0.008940 0.014101 0.019190 1Rh 3py 0.011674 -0.012172 -0.011100 -0.018200 -0.025757 0.012396 1Rh 4pz -0.005427 0.034554 0.026071 -0.029726 0.000561 0.028565 1Rh 4px -0.022116 -0.027220 0.026504 0.013181 0.015996 0.015993 1Rh 4py 0.012536 -0.012736 -0.010496 -0.008244 -0.033024 0.010713 1Rh 5pz -0.006055 0.043897 0.042266 -0.016448 0.013424 0.011877 1Rh 5px -0.007455 -0.088693 0.024192 -0.002471 0.008461 0.028132 1Rh 5py 0.015119 -0.012409 -0.017053 -0.038648 -0.021636 0.016231 1Rh 6pz 0.047033 -0.978074 -0.575956 0.303057 -0.057142 -0.412472 1Rh 6px 0.087128 1.800603 -0.331112 -0.059511 -0.251533 -0.633370 1Rh 6py -0.184549 0.369688 0.204489 0.385679 0.679411 -0.226015 1Rh 1dz2 0.007315 0.004314 -0.003794 0.005897 0.000095 0.000286 1Rh 1dxz -0.004502 -0.000118 0.017638 -0.011111 -0.000667 -0.004270 1Rh 1dyz -0.006147 0.000488 0.006782 -0.002369 -0.003508 0.003717 1Rh 1dx2y2 0.005616 -0.005305 0.008212 0.001080 -0.003999 0.002168 1Rh 1dxy 0.009168 -0.000910 -0.005288 -0.006709 0.002228 0.000640 1Rh 2dz2 -0.000131 0.000248 -0.000641 -0.000082 -0.000109 0.000191 1Rh 2dxz 0.000114 0.000930 0.000261 -0.000097 0.000142 0.000517 1Rh 2dyz -0.000369 0.000196 -0.000169 0.000579 -0.000396 0.000202 1Rh 2dx2y2 -0.000618 -0.000719 0.000383 0.000442 0.000464 0.000381 1Rh 2dxy -0.000044 -0.000504 -0.000172 -0.000363 -0.000655 0.000541 1Rh 3dz2 -0.012366 -0.008555 0.009296 -0.010123 0.000295 -0.001313 1Rh 3dxz 0.007403 -0.003466 -0.032152 0.020040 0.000589 0.005494 1Rh 3dyz 0.012301 -0.001597 -0.011154 0.001772 0.007792 -0.007394 1Rh 3dx2y2 -0.007337 0.012091 -0.015994 -0.003664 0.005213 -0.005303 1Rh 3dxy -0.015882 0.003604 0.009952 0.013340 -0.001256 -0.003264 1Rh 4dz2 -0.011814 -0.001883 -0.003352 -0.008943 -0.001594 0.002126 1Rh 4dxz 0.007317 0.012570 -0.020545 0.013066 0.002405 0.011339 1Rh 4dyz 0.003673 0.001732 -0.012057 0.011092 -0.000563 -0.002387 1Rh 4dx2y2 -0.015604 -0.003332 -0.006398 0.004727 0.010750 0.001831 1Rh 4dxy -0.012836 -0.005367 0.004463 0.004660 -0.010795 0.005417 1Rh 5dz2 -0.013040 -0.045559 0.057782 -0.014467 0.003086 -0.013891 1Rh 5dxz 0.014356 -0.062508 -0.081068 0.065278 -0.002917 0.005617 1Rh 5dyz 0.054951 -0.013174 -0.005669 -0.033182 0.039201 -0.026199 1Rh 5dx2y2 0.014398 0.089588 -0.053385 -0.050993 0.002110 -0.031312 1Rh 5dxy -0.031268 0.037098 0.036642 0.036936 0.017622 -0.025016 1Rh 1f0 -0.001007 -0.001778 -0.000517 0.000852 -0.001286 0.002161 1Rh 1f+1 0.000895 0.004032 -0.000506 -0.000778 0.000146 0.003226 1Rh 1f-1 -0.000232 0.002015 0.001668 -0.001391 -0.000300 0.003807 1Rh 1f+2 0.000692 -0.000277 -0.002221 -0.001512 -0.002116 -0.004758 1Rh 1f-2 0.001432 -0.000055 -0.001444 -0.000896 -0.004045 0.000626 1Rh 1f+3 -0.000291 0.004844 -0.000341 -0.002639 0.003490 0.000280 1Rh 1f-3 -0.000660 0.001270 -0.000026 -0.000697 -0.003731 0.001129 2C 1s -0.001462 0.000302 -0.000832 -0.000859 0.003215 0.003112 2C 2s -0.002950 0.000605 -0.001455 -0.002117 0.006369 0.006502 2C 3s -0.006275 0.003317 -0.008875 0.008968 0.011750 -0.000575 2C 4s 0.087589 -0.026339 0.083561 -0.041973 -0.183107 -0.125475 2C 5s -0.340210 0.262742 0.381507 0.747129 0.157374 1.282603 2C 1pz 0.027277 0.005195 -0.025334 0.014385 -0.025816 -0.006456 2C 1px 0.003942 -0.015209 0.014697 0.008236 -0.026131 0.039689 2C 1py 0.009023 -0.010455 0.008539 -0.021803 0.014823 -0.017254 2C 2pz 0.046802 -0.006827 -0.000625 0.014328 -0.040950 0.023844 2C 2px -0.007233 0.006741 -0.003185 0.039454 -0.007061 0.036323 2C 2py -0.027446 -0.003387 0.021876 -0.017813 0.019416 -0.000408 2C 3pz -0.403068 0.355988 -0.140446 -0.066284 0.310260 0.224134 2C 3px -0.251511 -0.979958 -0.266042 -0.387179 0.935620 -0.352694 2C 3py 0.685464 -0.211165 0.332503 0.469766 -0.769094 0.409554 2C 1dz2 -0.000253 -0.002471 0.001889 -0.001845 0.000113 -0.000364 2C 1dxz -0.006431 0.000564 -0.007407 0.004035 0.007336 -0.003302 2C 1dyz 0.000792 0.004685 0.004210 -0.000534 -0.003573 0.001745 2C 1dx2y2 -0.001378 0.007167 0.001461 -0.001656 -0.003682 0.002969 2C 1dxy 0.008410 0.001618 0.002828 0.009940 -0.010998 0.003325 2C 2dz2 0.010545 -0.006344 0.018485 0.002516 -0.010436 0.011932 2C 2dxz 0.022910 0.018287 0.027821 0.027539 -0.057703 0.039895 2C 2dyz -0.027191 -0.010511 -0.014879 -0.010308 0.039114 -0.013871 2C 2dx2y2 0.022002 -0.009093 -0.013584 0.016496 -0.001792 -0.016263 2C 2dxy -0.018598 0.002314 -0.004996 -0.014913 0.029699 -0.008765 2C 1f0 0.002435 -0.001878 0.000519 0.002079 -0.002015 -0.000299 2C 1f+1 -0.003372 0.000249 -0.002389 -0.001959 0.005392 -0.003215 2C 1f-1 -0.000126 -0.000120 0.001690 -0.001918 -0.001091 0.001603 2C 1f+2 0.000507 0.002155 0.001380 0.001092 -0.001917 0.003381 2C 1f-2 0.003595 0.001539 0.001790 0.003004 -0.005818 0.001571 2C 1f+3 0.000935 0.000669 0.000271 0.002878 -0.002187 0.002015 2C 1f-3 -0.002794 -0.001857 -0.002849 -0.001570 0.005717 -0.003931 3C 1s 0.002562 -0.000762 0.000591 -0.002623 0.001811 -0.002020 3C 2s 0.005169 -0.001557 0.001191 -0.005561 0.003709 -0.004040 3C 3s 0.009240 0.000148 -0.001210 -0.002495 -0.000063 -0.007244 3C 4s -0.149194 0.025567 -0.011558 0.099612 -0.075350 0.107717 3C 5s 0.418905 0.235047 -0.084916 1.054794 1.288542 -0.023460 3C 1pz -0.016779 -0.001754 -0.008645 -0.037167 -0.054780 -0.028037 3C 1px -0.009973 -0.015776 0.017569 0.040790 0.025428 -0.016907 3C 1py 0.000299 0.000217 -0.000217 -0.007026 -0.016007 -0.034754 3C 2pz -0.017638 -0.004970 0.022740 0.009068 -0.028746 -0.028502 3C 2px 0.021995 0.018225 -0.019814 0.059489 0.023576 -0.029446 3C 2py 0.025701 0.008896 -0.014049 -0.027469 -0.050685 -0.049600 3C 3pz -0.592262 0.486648 -0.318208 0.577079 0.825239 0.907820 3C 3px -0.101418 -1.057639 -0.140504 -0.532513 -0.224326 0.829364 3C 3py -0.500993 -0.147695 -0.256140 -0.114422 -0.021781 0.794756 3C 1dz2 0.003195 -0.002657 0.004324 -0.004031 -0.004459 -0.008429 3C 1dxz 0.001739 -0.004976 -0.009710 -0.004462 -0.004294 0.008951 3C 1dyz 0.010052 -0.003191 -0.001658 -0.006576 -0.006534 -0.004930 3C 1dx2y2 -0.004074 0.004994 -0.004840 0.002120 0.004516 0.006166 3C 1dxy -0.006437 -0.005451 0.002542 -0.002045 0.002038 0.006831 3C 2dz2 0.012439 -0.000621 0.005355 0.001807 0.001041 0.002160 3C 2dxz 0.000502 0.015945 0.030484 0.033153 0.025906 -0.046080 3C 2dyz -0.034325 0.021787 -0.005578 0.050411 0.053667 0.040431 3C 2dx2y2 0.025487 -0.006082 0.004487 -0.027420 -0.043516 -0.046569 3C 2dxy 0.006521 -0.014184 0.002503 -0.022808 -0.031833 -0.016834 3C 1f0 0.002872 -0.001147 0.001001 -0.003209 -0.005661 -0.006693 3C 1f+1 0.002613 -0.002147 -0.002944 -0.005229 -0.005877 0.000259 3C 1f-1 -0.002479 0.001123 -0.002633 0.003115 0.003256 0.005858 3C 1f+2 0.003184 0.000578 -0.002323 -0.002762 -0.001342 -0.000764 3C 1f-2 -0.000581 -0.000168 0.002393 0.001758 0.002805 -0.001648 3C 1f+3 0.001779 0.000920 0.002390 -0.001036 -0.001704 -0.006857 3C 1f-3 -0.002641 0.003433 0.002000 0.005809 0.005573 -0.000090 4C 1s 0.006591 -0.002858 -0.007230 -0.003675 -0.000223 -0.006987 4C 2s 0.015073 -0.005947 -0.015777 -0.006830 -0.000733 -0.014101 4C 3s -0.030697 -0.010614 -0.000406 -0.003865 0.031648 0.000728 4C 4s -0.071793 0.145588 0.269112 0.183181 -0.190664 0.220736 4C 5s -0.386223 -0.186395 -0.150603 -1.795016 0.268206 -1.426612 4C 1pz 0.023647 -0.023837 0.030923 0.001817 -0.019134 0.019764 4C 1px 0.018641 0.064150 -0.002304 0.038541 -0.028733 -0.007739 4C 1py -0.081338 0.020841 -0.041806 -0.012140 0.048862 0.004196 4C 2pz 0.056819 0.011255 0.165122 -0.100920 -0.097116 0.063972 4C 2px 0.057171 0.002647 -0.145320 0.293796 -0.053125 -0.056105 4C 2py -0.198544 0.033395 -0.093337 0.002908 0.085568 0.003124 4C 3pz -0.183696 -0.126298 0.421976 -0.375469 -0.113387 0.401219 4C 3px -0.001507 0.722121 -0.431135 1.126639 -0.530753 0.145935 4C 3py 0.037349 0.181570 0.184684 -0.002479 -0.025173 0.167898 4C 1dz2 0.002620 0.001762 0.001665 0.004698 -0.005027 0.001314 4C 1dxz 0.000041 -0.003985 0.002965 -0.005966 -0.001094 0.001114 4C 1dyz 0.001933 0.000728 -0.002281 0.003157 -0.000198 0.000267 4C 1dx2y2 0.007578 -0.000611 -0.000204 0.004996 -0.006590 0.000158 4C 1dxy 0.002509 -0.003137 0.003794 -0.000637 -0.001988 0.000406 4C 2dz2 0.003115 0.024628 0.032691 -0.044395 -0.005187 0.023340 4C 2dxz -0.003030 -0.030970 -0.086755 0.087837 0.054962 -0.012639 4C 2dyz 0.018956 0.012916 0.002772 -0.003870 -0.037264 -0.009102 4C 2dx2y2 0.000288 0.001564 0.014190 -0.028641 -0.015403 -0.036511 4C 2dxy 0.010691 -0.024820 -0.031135 0.062116 -0.016282 -0.035811 4C 1f0 -0.001607 0.002286 -0.000837 -0.001105 0.000591 0.001234 4C 1f+1 -0.001037 -0.003125 -0.004538 0.002589 0.002768 0.002136 4C 1f-1 -0.000002 0.000114 0.002507 -0.002022 0.000027 0.001580 4C 1f+2 0.001719 -0.000110 0.004161 -0.002525 -0.004124 -0.000834 4C 1f-2 0.000844 -0.003355 -0.003600 0.005151 0.003087 -0.001221 4C 1f+3 -0.003689 -0.001113 0.000199 -0.003488 0.001022 -0.000058 4C 1f-3 0.001777 0.001992 0.002102 -0.003518 0.002442 0.004550 5C 1s -0.000484 -0.003310 0.000675 -0.006388 -0.006794 0.000840 5C 2s -0.001423 -0.006981 0.001560 -0.012594 -0.013559 0.002024 5C 3s 0.006830 -0.006009 0.011997 -0.022281 -0.010617 -0.012157 5C 4s -0.000388 0.142068 -0.113656 0.387084 0.273898 0.046109 5C 5s 0.223488 -0.200887 -0.374364 -1.928530 -1.550708 -0.298244 5C 1pz 0.072540 -0.029135 0.048516 -0.000808 0.006483 -0.051310 5C 1px 0.034550 0.071479 -0.023525 0.008611 -0.000780 -0.027579 5C 1py 0.039898 0.007261 0.018686 0.009271 -0.011819 -0.037132 5C 2pz 0.103299 -0.025464 0.191511 0.061279 0.066521 -0.152868 5C 2px 0.272144 0.066132 -0.318386 -0.081674 -0.114879 0.081490 5C 2py 0.151103 -0.026925 0.010729 -0.019093 -0.075616 -0.077069 5C 3pz -0.268410 -0.240355 0.118818 -0.062896 0.103097 -0.145556 5C 3px 0.735638 0.952907 -1.037691 0.226966 -0.072702 -0.015636 5C 3py -0.102281 0.016368 -0.011532 -0.407316 -0.567519 -0.226561 5C 1dz2 0.006596 0.000551 0.000295 -0.006354 -0.002637 -0.006845 5C 1dxz 0.001239 -0.002719 0.002333 -0.000645 -0.000534 -0.003986 5C 1dyz -0.000269 -0.001520 0.000659 -0.005097 -0.000366 0.001514 5C 1dx2y2 -0.000041 -0.003264 0.004411 0.001819 -0.000981 -0.003075 5C 1dxy 0.002734 0.003653 -0.005074 0.000404 -0.001323 -0.001217 5C 2dz2 -0.020990 0.005492 0.056295 0.014816 0.033567 -0.023345 5C 2dxz 0.038333 -0.011979 -0.065350 -0.030212 -0.007740 0.045931 5C 2dyz 0.043458 -0.020492 -0.033160 -0.038384 -0.018701 -0.004846 5C 2dx2y2 0.040044 -0.010221 -0.072167 -0.014033 -0.038578 0.047764 5C 2dxy -0.069062 0.011792 0.097001 0.057479 0.040255 -0.039017 5C 1f0 0.000416 0.000212 -0.004403 -0.003232 0.000155 0.003219 5C 1f+1 -0.005154 0.000060 0.004545 -0.000039 0.003698 -0.003713 5C 1f-1 0.002318 -0.000876 -0.003605 -0.001549 -0.001313 0.001772 5C 1f+2 0.002321 -0.001158 0.000338 -0.000799 -0.001407 0.000219 5C 1f-2 -0.006614 0.001448 0.006119 0.005530 0.002693 -0.001309 5C 1f+3 -0.000668 -0.003148 0.000860 -0.002307 0.001129 0.002120 5C 1f-3 0.000230 -0.003383 -0.006206 -0.000228 -0.003204 0.002754 6C 1s -0.000754 0.003434 0.000590 -0.006582 0.006668 -0.000542 6C 2s -0.001989 0.007259 0.001383 -0.012977 0.013341 -0.001397 6C 3s 0.006372 0.005745 0.012067 -0.022201 0.009011 0.012115 6C 4s 0.011229 -0.143979 -0.111378 0.392755 -0.258989 -0.057765 6C 5s 0.204039 0.189732 -0.389682 -1.967388 1.486492 0.321502 6C 1pz -0.071078 -0.031905 -0.048079 -0.000358 0.005192 -0.051130 6C 1px -0.038005 0.069436 0.023597 -0.008147 -0.001093 -0.026409 6C 1py -0.040256 0.005195 -0.018541 -0.009220 -0.012793 -0.037375 6C 2pz -0.103644 -0.027161 -0.189753 -0.064936 0.062006 -0.153004 6C 2px -0.270779 0.049171 0.314475 0.086013 -0.113513 0.083491 6C 2py -0.148454 -0.035833 -0.010664 0.019555 -0.076605 -0.077973 6C 3pz 0.275333 -0.223610 -0.116183 0.053672 0.106690 -0.142783 6C 3px -0.770398 0.908114 1.026938 -0.209970 -0.082504 0.007831 6C 3py 0.103782 0.021630 0.013857 0.411831 -0.549800 -0.222026 6C 1dz2 0.006600 -0.000286 0.000243 -0.006313 0.002445 0.006806 6C 1dxz 0.001084 0.002605 0.002298 -0.000615 0.000520 0.003945 6C 1dyz -0.000381 0.001417 0.000657 -0.005140 0.000172 -0.001480 6C 1dx2y2 -0.000204 0.003294 0.004370 0.001911 0.001116 0.003060 6C 1dxy 0.002930 -0.003508 -0.005080 0.000349 0.001333 0.001083 6C 2dz2 -0.020208 -0.006796 0.056208 0.015825 -0.033210 0.023064 6C 2dxz 0.037168 0.014612 -0.064518 -0.029758 0.006529 -0.045854 6C 2dyz 0.041659 0.023104 -0.032831 -0.038026 0.017308 0.004538 6C 2dx2y2 0.038378 0.012905 -0.071315 -0.016043 0.038331 -0.047098 6C 2dxy -0.067566 -0.016953 0.095829 0.058424 -0.039111 0.038641 6C 1f0 -0.000385 0.000146 0.004314 0.003225 0.000301 0.003139 6C 1f+1 0.005018 0.000342 -0.004501 -0.000117 0.003761 -0.003737 6C 1f-1 -0.002256 -0.001051 0.003568 0.001597 -0.001290 0.001745 6C 1f+2 -0.002253 -0.001239 -0.000333 0.000837 -0.001441 0.000161 6C 1f-2 0.006450 0.001881 -0.006035 -0.005548 0.002535 -0.001274 6C 1f+3 0.000852 -0.003109 -0.000904 0.002222 0.001286 0.002052 6C 1f-3 -0.000043 -0.003438 0.006185 0.000303 -0.003215 0.002773 7C 1s 0.006638 0.003324 -0.007181 -0.003458 0.000213 0.006630 7C 2s 0.015185 0.007022 -0.015660 -0.006380 0.000746 0.013256 7C 3s -0.031503 0.008373 -0.000603 -0.003383 -0.031870 0.001046 7C 4s -0.068279 -0.150334 0.269009 0.174183 0.193494 -0.218976 7C 5s -0.391093 0.143558 -0.164464 -1.761776 -0.321583 1.491327 7C 1pz -0.022287 -0.024632 -0.031081 -0.001417 -0.019779 0.018455 7C 1px -0.021925 0.064182 0.002548 -0.036837 -0.030289 -0.006761 7C 1py 0.079097 0.024594 0.041277 0.010798 0.050001 0.004275 7C 2pz -0.055986 0.006970 -0.164475 0.103963 -0.095121 0.058134 7C 2px -0.057432 0.010864 0.146047 -0.288571 -0.060495 -0.050511 7C 2py 0.195408 0.044319 0.092468 -0.003820 0.088406 0.002382 7C 3pz 0.187447 -0.132391 -0.423342 0.377293 -0.097513 0.377885 7C 3px -0.036886 0.747699 0.426542 -1.093293 -0.567800 0.183423 7C 3py -0.052135 0.185138 -0.190234 0.003226 -0.030594 0.176430 7C 1dz2 0.002651 -0.001733 0.001638 0.004470 0.005156 -0.001328 7C 1dxz -0.000208 0.004042 0.002931 -0.005999 0.000932 -0.000799 7C 1dyz 0.002052 -0.000553 -0.002215 0.003209 0.000341 -0.000616 7C 1dx2y2 0.007466 0.001105 -0.000206 0.004808 0.006739 -0.000479 7C 1dxy 0.002342 0.003370 0.003797 -0.000608 0.002004 -0.000519 7C 2dz2 0.003843 -0.022477 0.033091 -0.043952 0.004596 -0.023673 7C 2dxz -0.004570 0.027231 -0.086962 0.088662 -0.053549 0.010979 7C 2dyz 0.019070 -0.011410 0.002471 -0.004655 0.036942 0.008608 7C 2dx2y2 0.000736 -0.001530 0.013791 -0.028018 0.013973 0.036592 7C 2dxy 0.009522 0.022410 -0.031223 0.061241 0.017421 0.035105 7C 1f0 0.001502 0.002268 0.000880 0.001126 0.000632 0.001233 7C 1f+1 0.001244 -0.002936 0.004518 -0.002553 0.002688 0.002124 7C 1f-1 -0.000030 0.000002 -0.002532 0.002006 0.000007 0.001530 7C 1f+2 -0.001727 -0.000290 -0.004193 0.002550 -0.004096 -0.000893 7C 1f-2 -0.000710 -0.003206 0.003620 -0.005214 0.003013 -0.001204 7C 1f+3 0.003773 -0.001095 -0.000207 0.003387 0.001214 -0.000102 7C 1f-3 -0.001774 0.001751 -0.002122 0.003518 0.002479 0.004489 8C 1s 0.002518 0.000874 0.000597 -0.002537 -0.001857 0.002004 8C 2s 0.005075 0.001794 0.001202 -0.005385 -0.003810 0.003997 8C 3s 0.009400 0.000061 -0.001322 -0.002421 0.000241 0.007181 8C 4s -0.148455 -0.031424 -0.011272 0.095482 0.075740 -0.106194 8C 5s 0.436113 -0.213245 -0.072794 1.082395 -1.248722 0.004195 8C 1pz 0.017048 -0.000666 0.009322 0.037608 -0.053430 -0.028537 8C 1px 0.010560 -0.014815 -0.017233 -0.042066 0.024383 -0.015684 8C 1py -0.000342 0.001075 0.000605 0.006435 -0.015177 -0.033438 8C 2pz 0.017788 -0.003500 -0.022189 -0.008920 -0.029126 -0.029760 8C 2px -0.023235 0.017449 0.020025 -0.059969 0.021782 -0.027048 8C 2py -0.026378 0.008615 0.015056 0.027470 -0.049822 -0.047904 8C 3pz 0.567387 0.506439 0.310084 -0.570884 0.813916 0.905925 8C 3px 0.154713 -1.058313 0.134120 0.529244 -0.208565 0.798763 8C 3py 0.506928 -0.125611 0.250443 0.125849 -0.010677 0.776579 8C 1dz2 0.003094 0.002853 0.004136 -0.004040 0.004464 0.008249 8C 1dxz 0.001252 0.005091 -0.009656 -0.004474 0.003975 -0.009035 8C 1dyz 0.009746 0.003757 -0.001787 -0.006601 0.006432 0.004724 8C 1dx2y2 -0.003791 -0.005178 -0.004704 0.002092 -0.004518 -0.006039 8C 1dxy -0.006779 0.005053 0.002552 -0.001957 -0.002218 -0.006667 8C 2dz2 0.012271 0.001013 0.005835 0.002202 -0.001173 -0.001385 8C 2dxz 0.001789 -0.016449 0.030118 0.033726 -0.024336 0.045380 8C 2dyz -0.032761 -0.023013 -0.004949 0.050659 -0.052205 -0.039796 8C 2dx2y2 0.024907 0.007199 0.003644 -0.027221 0.042801 0.045382 8C 2dxy 0.005931 0.014346 0.002057 -0.023510 0.031929 0.017298 8C 1f0 -0.002817 -0.001264 -0.000854 0.003259 -0.005660 -0.006562 8C 1f+1 -0.002443 -0.002265 0.002967 0.005310 -0.005651 0.000295 8C 1f-1 0.002424 0.001174 0.002548 -0.003113 0.003235 0.005788 8C 1f+2 -0.003174 0.000432 0.002367 0.002755 -0.001254 -0.000636 8C 1f-2 0.000480 -0.000132 -0.002370 -0.001746 0.002651 -0.001698 8C 1f+3 -0.001885 0.000859 -0.002254 0.001068 -0.001758 -0.006740 8C 1f-3 0.002391 0.003541 -0.002062 -0.005895 0.005394 -0.000127 9C 1s -0.001420 -0.000366 -0.000794 -0.000843 -0.003222 -0.002948 9C 2s -0.002873 -0.000716 -0.001390 -0.002102 -0.006415 -0.006139 9C 3s -0.005874 -0.004103 -0.008502 0.009476 -0.010886 0.000249 9C 4s 0.084084 0.032852 0.080147 -0.045268 0.178266 0.121760 9C 5s -0.322326 -0.274590 0.396701 0.730967 -0.130062 -1.285456 9C 1pz -0.027959 0.003367 0.025252 -0.013377 -0.026142 -0.006036 9C 1px -0.004031 -0.016846 -0.014691 -0.007740 -0.027132 0.040678 9C 1py -0.008543 -0.010713 -0.008875 0.019723 0.015035 -0.015207 9C 2pz -0.047026 -0.010196 0.000307 -0.012032 -0.041771 0.023623 9C 2px 0.004573 0.006885 0.003801 -0.039044 -0.009329 0.037283 9C 2py 0.028099 -0.002424 -0.022105 0.016583 0.021201 0.001933 9C 3pz 0.374286 0.370462 0.132902 0.056863 0.310462 0.244063 9C 3px 0.300875 -0.966346 0.264530 0.350962 0.966541 -0.378451 9C 3py -0.664264 -0.245665 -0.328270 -0.436165 -0.780760 0.394256 9C 1dz2 -0.000380 0.002519 0.001887 -0.001819 -0.000120 0.000489 9C 1dxz -0.006247 -0.000889 -0.007401 0.004321 -0.007341 0.003131 9C 1dyz 0.000761 -0.004560 0.004060 -0.000754 0.003378 -0.001790 9C 1dx2y2 -0.001311 -0.007082 0.001283 -0.001975 0.003323 -0.003005 9C 1dxy 0.008314 -0.001623 0.002855 0.009344 0.011440 -0.003455 9C 2dz2 0.009764 0.006712 0.018179 0.001359 0.010014 -0.010337 9C 2dxz 0.023184 -0.016696 0.027803 0.024458 0.058922 -0.040507 9C 2dyz -0.026910 0.008516 -0.014535 -0.008912 -0.038781 0.014590 9C 2dx2y2 0.022102 0.009759 -0.013503 0.017018 0.003233 0.016143 9C 2dxy -0.017771 -0.003213 -0.005123 -0.012758 -0.029734 0.008084 9C 1f0 -0.002343 -0.001938 -0.000531 -0.001976 -0.002108 -0.000421 9C 1f+1 0.003243 0.000453 0.002433 0.001654 0.005467 -0.003288 9C 1f-1 0.000238 -0.000202 -0.001624 0.001992 -0.000892 0.001572 9C 1f+2 -0.000465 0.002048 -0.001312 -0.000931 -0.001793 0.003372 9C 1f-2 -0.003587 0.001359 -0.001772 -0.002731 -0.005878 0.001715 9C 1f+3 -0.001020 0.000720 -0.000364 -0.002686 -0.002476 0.002006 9C 1f-3 0.002802 -0.001590 0.002846 0.001264 0.005746 -0.004021 10H 1s 0.005464 0.008248 0.016229 -0.021784 -0.011016 0.009487 10H 2s 0.054096 0.124921 0.170886 -0.104547 -0.216166 0.166775 10H 3s 0.176823 0.697992 0.020488 -0.017311 -0.419400 -0.101242 10H 1pz -0.004973 0.005754 0.001397 -0.001775 -0.002310 0.008510 10H 1px -0.002309 -0.000307 -0.012503 0.003000 0.010957 -0.012869 10H 1py 0.010498 0.000945 0.006883 0.008273 -0.016722 0.008188 11H 1s -0.020652 -0.003419 -0.021032 -0.003735 0.028714 -0.007371 11H 2s -0.244060 -0.052377 -0.196418 -0.151269 0.414406 -0.176280 11H 3s -0.370612 -0.249752 -0.381770 -0.253531 0.435386 -0.149257 11H 1pz -0.009564 0.002290 -0.004771 -0.011004 0.018258 -0.007444 11H 1px -0.006737 -0.008736 -0.008267 -0.002594 0.020505 -0.011044 11H 1py 0.007733 -0.005318 0.002899 0.001841 -0.007775 0.002751 12H 1s 0.015734 -0.007531 -0.001541 0.021180 -0.011319 0.003974 12H 2s 0.142886 -0.085979 -0.015431 0.184987 -0.125656 0.003452 12H 3s 0.569390 -0.588280 0.189009 0.005396 -0.277409 -0.042014 12H 1pz -0.000999 -0.004000 -0.000600 -0.006274 0.002549 -0.001275 12H 1px -0.006641 -0.007616 -0.009977 0.001897 0.013356 -0.006877 12H 1py 0.005770 0.003368 -0.000248 0.012387 -0.011085 0.003691 13H 1s -0.022673 0.005880 0.025806 0.010041 0.018285 -0.005125 13H 2s -0.186015 0.128007 0.217021 0.236389 0.281118 -0.058376 13H 3s -0.262349 0.748737 -0.062377 0.065511 0.005163 -0.156266 13H 1pz -0.012992 0.003530 0.003436 0.017855 0.022249 0.012987 13H 1px 0.003082 0.000042 -0.014191 -0.011349 -0.011654 0.009444 13H 1py -0.005084 -0.005330 -0.007540 -0.007984 -0.006862 0.012850 14H 1s -0.001981 -0.003482 -0.027481 -0.005491 0.001079 0.030174 14H 2s -0.030666 -0.061547 -0.250743 -0.091636 -0.002714 0.404373 14H 3s -0.472549 -0.564223 -0.217458 -0.238742 -0.093404 0.691761 14H 1pz -0.007731 0.007759 -0.005769 0.006716 0.011843 0.018411 14H 1px 0.009532 -0.003702 -0.012181 -0.009428 -0.004956 0.014855 14H 1py -0.001947 0.006835 -0.005336 0.004674 0.003204 0.002032 15H 1s 0.028171 -0.006661 0.006816 -0.012072 -0.014778 -0.028138 15H 2s 0.259998 -0.098250 0.065256 -0.256767 -0.306533 -0.390675 15H 3s 0.527892 -0.281673 0.306750 -0.090259 -0.186037 -0.391109 15H 1pz -0.008990 0.001875 0.001459 0.009960 0.013231 0.013375 15H 1px 0.003971 -0.010637 -0.007978 -0.013097 -0.011454 0.004803 15H 1py -0.007687 0.001853 -0.003460 0.016158 0.017360 0.023809 16H 1s -0.005485 -0.013645 0.022176 -0.029414 0.001835 -0.013270 16H 2s -0.056971 -0.025476 0.149727 -0.089682 0.012170 -0.095253 16H 3s 0.010691 -0.149150 0.124764 -0.500310 -0.063320 -0.021343 16H 1pz -0.002818 0.006439 0.005612 0.007576 0.000553 -0.004758 16H 1px 0.000208 -0.003556 0.004440 -0.006703 -0.000831 -0.002498 16H 1py -0.000232 0.002167 0.001194 0.001350 0.000090 -0.001588 17H 1s 0.016278 0.011243 -0.034546 -0.001999 0.011560 0.009231 17H 2s 0.093335 0.107410 -0.156570 0.081079 0.045416 0.051733 17H 3s 0.162512 0.038522 -0.348763 -0.286566 0.031997 0.039526 17H 1pz -0.002334 -0.006950 0.003654 -0.008000 -0.000953 -0.002262 17H 1px 0.001458 -0.003829 -0.007002 -0.008673 0.002868 0.000452 17H 1py 0.000421 0.004204 0.000944 0.005068 0.000537 0.000752 18H 1s 0.016382 -0.010490 -0.034561 -0.001469 -0.011238 -0.009943 18H 2s 0.095222 -0.103518 -0.154863 0.082029 -0.041159 -0.057669 18H 3s 0.159283 -0.032621 -0.350259 -0.285324 -0.038047 -0.037236 18H 1pz 0.002601 -0.006981 -0.003476 0.008082 -0.000653 -0.002686 18H 1px -0.001275 -0.003901 0.007230 0.008420 0.003083 0.000305 18H 1py -0.000585 0.003967 -0.001104 -0.004704 0.000389 0.000846 19H 1s -0.005174 0.013947 0.021778 -0.029135 -0.002947 0.014228 19H 2s -0.053917 0.024861 0.147648 -0.089614 -0.018167 0.101213 19H 3s 0.010602 0.155603 0.124422 -0.501306 0.049651 0.031056 19H 1pz 0.002608 0.006577 -0.005562 -0.007397 0.000625 -0.004800 19H 1px -0.000248 -0.003739 -0.004325 0.006687 -0.000615 -0.002577 19H 1py 0.000301 0.002288 -0.001358 -0.001437 0.000203 -0.001784 20H 1s 0.027729 0.008024 0.006412 -0.011913 0.014823 0.027695 20H 2s 0.253691 0.108935 0.059746 -0.256166 0.301995 0.384962 20H 3s 0.511709 0.314055 0.302947 -0.086330 0.193671 0.387690 20H 1pz 0.008851 0.002086 -0.001622 -0.009959 0.012957 0.013220 20H 1px -0.003365 -0.010874 0.007989 0.013311 -0.011157 0.004548 20H 1py 0.007532 0.001966 0.003145 -0.016055 0.016866 0.023424 21H 1s -0.002473 0.003705 -0.027063 -0.005684 -0.001524 -0.029962 21H 2s -0.036104 0.063318 -0.245935 -0.095664 -0.002644 -0.397925 21H 3s -0.505771 0.541091 -0.216527 -0.237239 0.078283 -0.677824 21H 1pz 0.007222 0.007995 0.005581 -0.006484 0.011694 0.018180 21H 1px -0.009289 -0.004451 0.011916 0.009779 -0.004791 0.014460 21H 1py 0.001538 0.006855 0.005275 -0.004567 0.003108 0.002188 22H 1s -0.022058 -0.007188 0.025718 0.010286 -0.017969 0.005434 22H 2s -0.176564 -0.138743 0.216401 0.239613 -0.273703 0.057441 22H 3s -0.221067 -0.760016 -0.063968 0.052593 -0.004551 0.155258 22H 1pz 0.012677 0.004178 -0.003464 -0.017968 0.021705 0.013026 22H 1px -0.003018 -0.000272 0.014117 0.011758 -0.011341 0.009154 22H 1py 0.005348 -0.005133 0.007490 0.008275 -0.006575 0.012514 23H 1s 0.015392 0.007743 -0.001295 0.020421 0.012122 -0.004023 23H 2s 0.137317 0.087773 -0.014891 0.175771 0.131256 0.002274 23H 3s 0.538437 0.607982 0.189278 0.007682 0.283693 0.045950 23H 1pz 0.001123 -0.004021 0.000547 0.006047 0.002679 -0.001338 23H 1px 0.006861 -0.007167 0.009917 -0.002132 0.013541 -0.007256 23H 1py -0.005637 0.003193 0.000435 -0.011469 -0.011184 0.003135 24H 1s -0.020210 0.002369 -0.020906 -0.002397 -0.028924 0.007098 24H 2s -0.240739 0.038263 -0.195440 -0.132390 -0.419820 0.176466 24H 3s -0.371304 0.251253 -0.377600 -0.235715 -0.453279 0.144448 24H 1pz 0.009221 0.002977 0.004672 0.010113 0.018349 -0.007325 24H 1px 0.007097 -0.007815 0.008256 0.001765 0.020749 -0.011370 24H 1py -0.007328 -0.005975 -0.002819 -0.001399 -0.007489 0.002441 25H 1s 0.005567 -0.007226 0.016116 -0.022136 0.010432 -0.009148 25H 2s 0.057369 -0.114720 0.170060 -0.112407 0.214764 -0.168867 25H 3s 0.206078 -0.693403 0.014639 -0.034750 0.420205 0.090650 25H 1pz 0.004583 0.005631 -0.001589 0.001897 -0.002406 0.009000 25H 1px 0.002261 0.000241 0.012566 -0.003366 0.011157 -0.012891 25H 1py -0.010346 0.000476 -0.006727 -0.007598 -0.016974 0.008081 26O 1s -0.003979 0.013931 -0.004213 0.013043 -0.002617 0.005259 26O 2s -0.010043 0.034114 -0.010933 0.032957 -0.006540 0.012824 26O 3s 0.021739 -0.059231 0.026586 -0.068385 0.012740 -0.023597 26O 4s -0.001653 -0.081332 -0.013121 -0.012008 -0.005785 -0.020277 26O 5s 0.205266 -0.319193 0.407929 -0.861356 0.320080 0.010871 26O 1pz 0.020423 -0.029197 -0.020886 0.030823 0.017198 -0.016229 26O 1px -0.004645 0.004319 0.011131 -0.033874 0.018822 0.024642 26O 1py -0.047478 -0.030667 0.017520 -0.004109 -0.001209 -0.009710 26O 2pz 0.030567 -0.020225 -0.006127 0.042397 -0.017141 0.004145 26O 2px 0.004542 -0.003645 -0.012446 0.028590 -0.002281 0.008826 26O 2py -0.054526 -0.022812 0.016423 0.011511 -0.002042 -0.007539 26O 3pz -0.023502 -0.053751 -0.101784 -0.066471 0.184117 -0.214159 26O 3px -0.101059 -0.003553 -0.074559 0.045174 0.006296 -0.066435 26O 3py -0.022305 -0.067352 -0.031148 0.040946 -0.043623 -0.157381 26O 1dz2 0.000459 -0.000750 0.001147 -0.000449 -0.001161 0.000391 26O 1dxz -0.001186 0.001963 0.000019 0.000418 0.000152 -0.001238 26O 1dyz 0.000278 0.001816 -0.001044 0.000650 0.000067 0.000344 26O 1dx2y2 -0.002226 -0.000230 0.000264 0.001298 -0.000297 -0.000464 26O 1dxy 0.000934 0.001918 0.000161 0.001838 -0.001165 -0.000633 26O 2dz2 0.005077 -0.006424 -0.008550 0.010451 -0.004602 -0.005285 26O 2dxz -0.002558 0.002488 0.000132 0.001718 0.000535 0.001774 26O 2dyz -0.000091 -0.000162 -0.000351 0.000404 0.003555 -0.004592 26O 2dx2y2 -0.001499 0.003455 0.011215 -0.013080 0.000879 0.008808 26O 2dxy 0.004395 0.004396 0.005794 -0.007365 -0.002985 0.007006 26O 1f0 0.000226 0.000053 -0.000452 -0.000092 0.000368 -0.000075 26O 1f+1 -0.000351 0.000108 0.000347 -0.000964 0.000647 -0.000101 26O 1f-1 -0.000088 -0.000618 -0.000105 -0.000333 0.000609 -0.000503 26O 1f+2 0.000268 0.000390 -0.000035 0.000466 -0.000323 0.000411 26O 1f-2 -0.000163 -0.000491 0.000304 -0.000505 -0.000142 -0.000211 26O 1f+3 -0.000459 -0.000047 0.000440 -0.000629 0.000407 0.000073 26O 1f-3 0.000453 0.000297 0.000399 -0.000304 -0.000255 0.000083 27O 1s 0.008706 0.015344 -0.013238 0.001028 0.004534 0.001208 27O 2s 0.022323 0.037690 -0.033458 0.002357 0.010813 0.002845 27O 3s -0.049976 -0.066329 0.068059 -0.002430 -0.016684 -0.000725 27O 4s 0.017515 -0.083429 0.004206 -0.012614 -0.036836 -0.030508 27O 5s -0.881832 -0.481314 1.304945 0.169089 0.175738 -0.196243 27O 1pz 0.024070 0.000241 -0.025322 0.023923 -0.030166 0.017385 27O 1px 0.003897 -0.006796 0.014305 -0.009940 0.010630 -0.016046 27O 1py 0.002590 0.040299 0.026191 0.025219 0.015873 -0.016357 27O 2pz 0.017976 0.008370 -0.009891 0.040276 -0.010700 -0.005313 27O 2px 0.044228 -0.002321 -0.056178 -0.007899 -0.003975 0.011973 27O 2py 0.007704 0.026343 0.038721 -0.004620 -0.016051 -0.048281 27O 3pz -0.007634 -0.014407 0.008702 -0.032799 -0.161323 0.077709 27O 3px 0.292914 0.042165 -0.378341 -0.178428 -0.216962 0.109348 27O 3py -0.115739 0.067646 0.023230 0.224646 0.325559 0.113660 27O 1dz2 -0.000642 -0.001875 0.002598 -0.001038 0.000475 -0.001404 27O 1dxz -0.001933 0.001067 0.000508 -0.000567 -0.000092 -0.000298 27O 1dyz 0.000171 -0.000417 0.000564 0.000263 -0.000987 0.000163 27O 1dx2y2 0.001419 0.000968 -0.001889 -0.000899 -0.000538 0.000419 27O 1dxy -0.001618 -0.002615 0.000509 -0.000524 0.001081 0.001663 27O 2dz2 0.014248 -0.001624 -0.018500 -0.007376 -0.011264 -0.000478 27O 2dxz 0.002801 0.000883 -0.006891 -0.006500 -0.003436 0.005897 27O 2dyz 0.000023 0.001035 -0.002122 -0.000573 0.004486 -0.000921 27O 2dx2y2 -0.020112 0.003635 0.030013 0.013254 0.014678 -0.017829 27O 2dxy 0.004480 -0.003011 -0.008915 -0.006499 -0.003178 0.006293 27O 1f0 -0.000023 0.000383 -0.000701 -0.000110 0.000315 0.000318 27O 1f+1 -0.001174 0.000244 0.001045 0.000537 0.000432 0.000134 27O 1f-1 -0.000027 0.000116 0.000036 -0.000313 0.000044 -0.000104 27O 1f+2 -0.000294 0.000505 0.000471 0.000720 0.000597 -0.000708 27O 1f-2 -0.000062 0.000410 -0.000368 0.000396 0.000484 0.000094 27O 1f+3 -0.000971 -0.000462 0.001888 0.000117 -0.000118 -0.000791 27O 1f-3 0.000161 -0.000003 -0.000584 0.000033 0.000027 0.000576 28O 1s -0.003510 -0.004713 0.010927 -0.009681 0.000049 0.011057 28O 2s -0.009036 -0.011649 0.027172 -0.024876 0.000460 0.026401 28O 3s 0.021895 0.022745 -0.048992 0.056096 -0.008777 -0.034504 28O 4s -0.014664 0.018830 -0.039725 -0.029908 0.049631 -0.133536 28O 5s 0.257576 0.041045 -0.855210 1.309808 -0.039974 -0.025560 28O 1pz -0.019021 0.033775 0.029296 -0.024572 0.019317 -0.005065 28O 1px 0.010648 0.012401 0.034918 -0.002789 -0.015829 -0.003054 28O 1py 0.006010 -0.001405 -0.009031 -0.020242 -0.033811 -0.016622 28O 2pz -0.018417 0.052937 0.070559 -0.050066 -0.021928 0.010508 28O 2px 0.006975 -0.000095 -0.009012 0.042987 0.000303 -0.003014 28O 2py 0.016200 0.002752 0.000436 -0.017102 -0.049414 -0.005923 28O 3pz -0.103758 -0.048144 0.082172 -0.321080 0.176223 -0.113201 28O 3px 0.080609 -0.082906 -0.214321 0.298594 0.076574 -0.082820 28O 3py -0.019251 -0.080894 -0.075176 -0.064515 0.021266 -0.102135 28O 1dz2 0.000151 -0.002369 -0.001668 -0.000868 0.000805 -0.000547 28O 1dxz 0.001575 0.001490 -0.002121 0.001737 -0.000739 -0.001110 28O 1dyz 0.000949 -0.000997 0.001903 0.000105 0.000017 0.000570 28O 1dx2y2 0.000188 0.000809 0.001341 -0.000890 -0.001923 0.001304 28O 1dxy -0.000870 0.001808 -0.000706 -0.000266 -0.000097 0.000218 28O 2dz2 0.000260 -0.001605 -0.002649 0.003155 -0.003882 0.002309 28O 2dxz -0.001483 0.012445 0.018577 -0.027529 -0.010083 0.002210 28O 2dyz 0.003835 -0.001377 -0.002269 0.005672 -0.003815 0.001810 28O 2dx2y2 -0.001164 -0.005706 -0.010429 0.020857 0.003431 -0.001417 28O 2dxy 0.002143 0.002755 -0.005048 0.000055 -0.001096 -0.000493 28O 1f0 -0.000369 -0.000269 -0.000398 0.000780 0.000719 -0.000445 28O 1f+1 0.000242 -0.000424 -0.000597 0.000540 -0.000017 0.000002 28O 1f-1 -0.000494 0.000247 -0.000447 0.000082 0.000143 -0.000475 28O 1f+2 0.000107 0.000634 0.001433 -0.001535 -0.000472 0.000470 28O 1f-2 0.000405 -0.000069 0.000171 0.000449 -0.000470 0.000093 28O 1f+3 -0.000200 0.000597 0.000265 -0.001085 0.000151 0.000124 28O 1f-3 0.000152 -0.000060 0.000190 0.000101 -0.000329 0.000012 29O 1s 0.001004 0.009631 -0.000933 -0.002359 0.001570 -0.003156 29O 2s 0.002493 0.023443 -0.002396 -0.006185 0.003811 -0.007720 29O 3s -0.004985 -0.036150 0.006453 0.018072 -0.006518 0.012807 29O 4s -0.001111 -0.076128 -0.002774 -0.014414 -0.005249 0.019629 29O 5s -0.053477 -0.209115 0.042258 0.146960 -0.054844 0.083056 29O 1pz -0.008758 -0.044688 0.025736 -0.039312 0.000069 0.007220 29O 1px -0.028350 0.083766 0.039810 0.063362 -0.023571 -0.015461 29O 1py -0.009092 0.008289 0.000484 -0.009025 -0.030333 0.007812 29O 2pz -0.014485 -0.039806 0.037150 -0.040871 0.003005 -0.000203 29O 2px -0.030709 0.059203 0.043355 0.058334 -0.032544 -0.009587 29O 2py -0.014647 0.014796 0.006128 0.002326 -0.036628 0.010151 29O 3pz -0.071521 -0.142064 0.156118 -0.137348 -0.026061 -0.040927 29O 3px -0.063763 0.192838 0.090239 0.046936 0.014351 -0.081141 29O 3py 0.042482 0.048112 -0.036736 -0.038130 0.012944 -0.017374 29O 1dz2 -0.000595 -0.001732 0.001869 -0.001680 -0.000090 -0.001059 29O 1dxz 0.001058 -0.000210 -0.002393 0.000708 0.000580 0.001607 29O 1dyz -0.001252 -0.001074 0.002686 -0.001442 -0.000015 -0.001474 29O 1dx2y2 -0.000158 0.002266 -0.000423 0.000599 -0.000214 0.000041 29O 1dxy -0.000827 -0.000930 0.001325 -0.000841 -0.001119 -0.000355 29O 2dz2 0.001200 -0.007370 0.001289 -0.007332 0.000359 -0.000250 29O 2dxz 0.001552 -0.004307 -0.006929 -0.001423 0.003312 0.002503 29O 2dyz 0.002313 0.000693 -0.001869 0.000545 0.001409 0.000831 29O 2dx2y2 0.000830 0.006209 -0.001999 -0.000928 -0.001305 -0.000506 29O 2dxy -0.002373 0.001908 0.004040 0.009103 -0.004215 0.001666 29O 1f0 -0.000100 0.000258 0.000489 -0.000001 0.000086 -0.000266 29O 1f+1 -0.000279 0.000062 0.000181 0.000052 -0.000135 0.000023 29O 1f-1 -0.000348 0.001144 0.000549 0.000818 -0.000206 -0.000283 29O 1f+2 -0.000093 -0.000391 0.000212 -0.000184 -0.000101 0.000008 29O 1f-2 0.000167 0.001145 -0.000034 0.000968 -0.000278 0.000036 29O 1f+3 0.000130 -0.000541 -0.000230 -0.000401 0.000421 0.000021 29O 1f-3 -0.000335 0.000387 0.000326 0.000050 -0.000079 -0.000171 30O 1s -0.006290 -0.006376 0.012064 0.004351 0.012347 0.000319 30O 2s -0.015703 -0.015811 0.030368 0.010155 0.029667 0.000787 30O 3s 0.027924 0.030644 -0.060295 -0.007124 -0.040434 -0.003131 30O 4s 0.027081 0.019316 -0.027753 -0.075361 -0.134209 0.007343 30O 5s 0.586888 0.227344 -0.916025 -0.108782 -0.263241 0.128713 30O 1pz 0.003730 0.018837 0.017989 -0.037690 -0.014746 0.017818 30O 1px -0.040004 0.005733 0.043783 0.033647 -0.001206 -0.003478 30O 1py 0.021267 -0.014143 -0.004832 -0.015726 -0.001064 0.042235 30O 2pz -0.025403 0.022213 0.040182 -0.016313 0.002152 0.024077 30O 2px -0.001447 0.001188 -0.011306 -0.000476 -0.011749 0.018727 30O 2py 0.047007 -0.031300 -0.034934 -0.056203 -0.029230 0.037032 30O 3pz -0.060634 -0.019685 0.118909 -0.079788 -0.014760 -0.068737 30O 3px 0.086909 -0.066295 -0.100462 -0.065629 -0.172045 0.049010 30O 3py 0.067732 0.124782 -0.091097 0.154394 0.084468 0.225063 30O 1dz2 -0.000652 -0.001256 -0.001994 0.000079 -0.000389 0.000453 30O 1dxz 0.001897 0.000470 -0.000695 -0.000494 -0.001015 -0.000626 30O 1dyz 0.001128 0.002335 -0.000886 -0.001730 -0.000989 -0.000246 30O 1dx2y2 -0.000599 0.002078 -0.000386 0.001623 0.001707 -0.000903 30O 1dxy 0.000253 -0.002003 0.001800 -0.000111 0.000329 -0.001407 30O 2dz2 -0.006898 -0.000790 0.004864 0.002667 -0.000020 -0.003524 30O 2dxz -0.011297 0.003122 0.016900 0.001431 0.005863 -0.010950 30O 2dyz -0.007391 0.004294 0.009509 0.004373 0.004314 -0.004730 30O 2dx2y2 0.006854 -0.002299 -0.010733 -0.006039 -0.008947 0.001667 30O 2dxy 0.013336 -0.006486 -0.012740 -0.009438 -0.009269 0.009261 30O 1f0 -0.000026 -0.000380 -0.000485 0.000230 -0.000152 0.001009 30O 1f+1 -0.000218 0.000016 -0.000201 0.000145 -0.000016 0.000326 30O 1f-1 -0.000349 -0.000228 -0.000053 0.000643 0.000238 0.000116 30O 1f+2 -0.000618 -0.000035 0.000998 0.000550 0.000762 -0.000316 30O 1f-2 -0.000834 0.000337 0.000575 0.000257 0.000584 -0.000187 30O 1f+3 0.000174 0.000156 -0.000085 -0.000221 0.000023 0.000029 30O 1f-3 -0.001021 0.000356 0.000849 0.000784 0.000907 0.000113 31O 1s -0.006426 0.005823 0.012080 0.004759 -0.012206 -0.000341 31O 2s -0.016045 0.014431 0.030397 0.011135 -0.029339 -0.000823 31O 3s 0.028735 -0.028111 -0.060249 -0.008533 0.040233 0.002923 31O 4s 0.027058 -0.017425 -0.028627 -0.079224 0.131795 -0.005771 31O 5s 0.585003 -0.179570 -0.906067 -0.116175 0.259358 -0.136962 31O 1pz -0.003731 0.018676 -0.017784 0.038754 -0.013455 0.016817 31O 1px 0.039398 0.008139 -0.043311 -0.033177 -0.002146 -0.004060 31O 1py -0.019603 -0.016291 0.004360 0.015916 -0.000823 0.041916 31O 2pz 0.024983 0.023936 -0.040195 0.017130 0.003039 0.022966 31O 2px 0.001644 0.000982 0.011020 0.001108 -0.011692 0.017890 31O 2py -0.043901 -0.035044 0.034434 0.056239 -0.027428 0.037111 31O 3pz 0.060266 -0.014750 -0.113685 0.080506 -0.012499 -0.069943 31O 3px -0.079336 -0.075458 0.099083 0.069341 -0.168873 0.047760 31O 3py -0.071628 0.117020 0.085482 -0.151536 0.077982 0.222924 31O 1dz2 -0.000710 0.001206 -0.001989 0.000097 0.000358 -0.000460 31O 1dxz 0.001889 -0.000353 -0.000676 -0.000511 0.001016 0.000635 31O 1dyz 0.001215 -0.002241 -0.000882 -0.001792 0.000934 0.000268 31O 1dx2y2 -0.000448 -0.002157 -0.000389 0.001656 -0.001666 0.000852 31O 1dxy 0.000175 0.001970 0.001771 -0.000069 -0.000320 0.001394 31O 2dz2 -0.006850 0.000233 0.004781 0.002740 0.000083 0.003450 31O 2dxz -0.010909 -0.003860 0.016618 0.001648 -0.005840 0.010994 31O 2dyz -0.006975 -0.004971 0.009310 0.004418 -0.004151 0.004762 31O 2dx2y2 0.006576 0.002760 -0.010629 -0.006228 0.008739 -0.001653 31O 2dxy 0.012686 0.007386 -0.012418 -0.009521 0.008953 -0.009091 31O 1f0 0.000060 -0.000390 0.000466 -0.000221 -0.000155 0.000993 31O 1f+1 0.000217 0.000028 0.000191 -0.000136 -0.000018 0.000327 31O 1f-1 0.000358 -0.000206 0.000046 -0.000652 0.000222 0.000126 31O 1f+2 0.000603 -0.000002 -0.000996 -0.000578 0.000733 -0.000320 31O 1f-2 0.000795 0.000405 -0.000561 -0.000271 0.000575 -0.000189 31O 1f+3 -0.000176 0.000140 0.000089 0.000222 0.000029 0.000036 31O 1f-3 0.000983 0.000412 -0.000844 -0.000797 0.000876 0.000117 32O 1s 0.001608 -0.009472 -0.001042 -0.002330 -0.001623 0.003140 32O 2s 0.003968 -0.023060 -0.002665 -0.006113 -0.003956 0.007694 32O 3s -0.007385 0.035531 0.006996 0.017868 0.007019 -0.012978 32O 4s -0.005343 0.075082 -0.002448 -0.014133 0.004321 -0.018574 32O 5s -0.067069 0.204455 0.045078 0.145874 0.060437 -0.085698 32O 1pz 0.009438 -0.044860 -0.026041 0.038489 0.001670 0.006126 32O 1px 0.023960 0.085748 -0.040057 -0.061594 -0.024696 -0.015023 32O 1py 0.009927 0.009069 -0.001903 0.011113 -0.030642 0.006892 32O 2pz 0.014433 -0.040084 -0.037118 0.040252 0.005088 -0.001719 32O 2px 0.027692 0.061417 -0.043673 -0.056220 -0.033467 -0.009463 32O 2py 0.015587 0.015951 -0.008103 0.000377 -0.037205 0.009131 32O 3pz 0.076395 -0.140792 -0.156111 0.137019 -0.020096 -0.047380 32O 3px 0.050825 0.195101 -0.087530 -0.047512 0.014147 -0.081521 32O 3py -0.042845 0.043729 0.033156 0.040598 0.013776 -0.019440 32O 1dz2 -0.000576 0.001687 0.001724 -0.001610 -0.000001 0.001074 32O 1dxz 0.001028 0.000199 -0.002429 0.000769 -0.000542 -0.001710 32O 1dyz -0.001256 0.001058 0.002696 -0.001485 -0.000073 0.001602 32O 1dx2y2 -0.000022 -0.002322 -0.000486 0.000609 0.000231 -0.000099 32O 1dxy -0.000834 0.000853 0.001239 -0.000848 0.001084 0.000383 32O 2dz2 0.000874 0.007609 0.001285 -0.007227 -0.000449 0.000401 32O 2dxz 0.001295 0.004302 -0.007081 -0.001337 -0.003404 -0.002458 32O 2dyz 0.002499 -0.000353 -0.001882 0.000333 -0.001236 -0.001037 32O 2dx2y2 0.000999 -0.006185 -0.001927 -0.001221 0.001195 0.000650 32O 2dxy -0.002421 -0.002163 0.004082 0.008707 0.004430 -0.001775 32O 1f0 0.000070 0.000189 -0.000466 0.000054 0.000112 -0.000262 32O 1f+1 0.000274 0.000025 -0.000170 -0.000006 -0.000126 0.000019 32O 1f-1 0.000315 0.001177 -0.000594 -0.000784 -0.000214 -0.000301 32O 1f+2 0.000101 -0.000435 -0.000200 0.000220 -0.000093 0.000010 32O 1f-2 -0.000194 0.001141 -0.000001 -0.000939 -0.000327 0.000068 32O 1f+3 -0.000124 -0.000536 0.000246 0.000348 0.000430 0.000021 32O 1f-3 0.000304 0.000408 -0.000306 -0.000043 -0.000060 -0.000184 33O 1s -0.003966 0.004849 0.010864 -0.009762 -0.000339 -0.010552 33O 2s -0.010157 0.011977 0.027010 -0.025054 -0.001203 -0.025110 33O 3s 0.023912 -0.023115 -0.048600 0.056070 0.010450 0.031548 33O 4s -0.012146 -0.020528 -0.039990 -0.027205 -0.050555 0.134984 33O 5s 0.264272 -0.057126 -0.849892 1.299860 0.078057 -0.023669 33O 1pz 0.017137 0.035113 -0.029407 0.024213 0.020219 -0.006942 33O 1px -0.011380 0.010561 -0.035098 0.002635 -0.015961 -0.002278 33O 1py -0.005832 -0.001914 0.009244 0.020473 -0.033256 -0.016684 33O 2pz 0.016464 0.052491 -0.070519 0.051166 -0.019840 0.008018 33O 2px -0.007046 0.000041 0.008867 -0.043065 -0.000551 -0.001590 33O 2py -0.015978 0.001858 -0.000481 0.018214 -0.049179 -0.005972 33O 3pz 0.099970 -0.043751 -0.081768 0.306367 0.183456 -0.124168 33O 3px -0.077895 -0.081000 0.213669 -0.299387 0.067352 -0.070752 33O 3py 0.021538 -0.080079 0.075792 0.060042 0.023935 -0.104551 33O 1dz2 0.000032 0.002412 -0.001688 -0.000801 -0.000847 0.000530 33O 1dxz 0.001653 -0.001444 -0.002135 0.001668 0.000798 0.001011 33O 1dyz 0.000875 0.001060 0.001906 0.000094 0.000010 -0.000576 33O 1dx2y2 0.000193 -0.000755 0.001346 -0.000944 0.001898 -0.001265 33O 1dxy -0.000776 -0.001821 -0.000714 -0.000281 0.000083 -0.000256 33O 2dz2 0.000157 0.001745 -0.002639 0.002956 0.003923 -0.002454 33O 2dxz -0.000864 -0.011725 0.018487 -0.027526 0.009385 -0.001632 33O 2dyz 0.003747 0.001531 -0.002254 0.005703 0.004061 -0.002126 33O 2dx2y2 -0.001479 0.005134 -0.010466 0.020755 -0.003042 0.001093 33O 2dxy 0.002334 -0.002604 -0.004965 -0.000007 0.001175 0.000333 33O 1f0 0.000364 -0.000212 0.000395 -0.000804 0.000696 -0.000441 33O 1f+1 -0.000223 -0.000429 0.000588 -0.000531 -0.000041 0.000045 33O 1f-1 0.000460 0.000295 0.000444 -0.000097 0.000138 -0.000495 33O 1f+2 -0.000124 0.000588 -0.001430 0.001549 -0.000436 0.000429 33O 1f-2 -0.000399 -0.000101 -0.000167 -0.000441 -0.000493 0.000112 33O 1f+3 0.000170 0.000576 -0.000267 0.001075 0.000178 0.000111 33O 1f-3 -0.000139 -0.000064 -0.000181 -0.000090 -0.000331 0.000003 34O 1s 0.009458 -0.014794 -0.013058 0.000989 -0.004542 -0.001524 34O 2s 0.024164 -0.036289 -0.033021 0.002248 -0.010838 -0.003653 34O 3s -0.053178 0.063328 0.067402 -0.002145 0.016844 0.002609 34O 4s 0.013002 0.083699 0.002695 -0.012967 0.036464 0.029479 34O 5s -0.894609 0.429878 1.295271 0.185052 -0.171860 0.216027 34O 1pz -0.023351 0.000030 0.025590 -0.022816 -0.031168 0.018000 34O 1px -0.003692 -0.005909 -0.014028 0.009492 0.010936 -0.015594 34O 1py -0.004670 0.040502 -0.025633 -0.024847 0.014651 -0.015354 34O 2pz -0.018311 0.008678 0.010394 -0.039899 -0.012365 -0.004186 34O 2px -0.043698 -0.004260 0.055765 0.008329 -0.004027 0.012821 34O 2py -0.008958 0.026643 -0.037659 0.005162 -0.016536 -0.047420 34O 3pz 0.012320 -0.012645 -0.008562 0.039089 -0.159885 0.075034 34O 3px -0.288844 0.028226 0.374902 0.186828 -0.213581 0.111851 34O 3py 0.108961 0.071339 -0.024585 -0.229849 0.320014 0.115151 34O 1dz2 -0.000701 0.001856 0.002584 -0.000983 -0.000504 0.001457 34O 1dxz -0.001871 -0.001119 0.000509 -0.000592 0.000053 0.000323 34O 1dyz 0.000128 0.000378 0.000551 0.000241 0.000991 -0.000184 34O 1dx2y2 0.001456 -0.000870 -0.001858 -0.000907 0.000516 -0.000447 34O 1dxy -0.001730 0.002536 0.000522 -0.000483 -0.001110 -0.001622 34O 2dz2 0.013969 0.002354 -0.018383 -0.007631 0.011192 0.000389 34O 2dxz 0.002825 -0.000561 -0.006803 -0.006632 0.003214 -0.005755 34O 2dyz 0.000075 -0.001143 -0.002136 -0.000496 -0.004535 0.000937 34O 2dx2y2 -0.019540 -0.004899 0.029678 0.013821 -0.014491 0.017741 34O 2dxy 0.004154 0.003309 -0.008824 -0.006630 0.003026 -0.006167 34O 1f0 -0.000000 0.000373 0.000693 0.000104 0.000320 0.000307 34O 1f+1 0.001149 0.000302 -0.001034 -0.000540 0.000428 0.000119 34O 1f-1 0.000022 0.000113 -0.000038 0.000316 0.000054 -0.000109 34O 1f+2 0.000267 0.000535 -0.000468 -0.000731 0.000576 -0.000697 34O 1f-2 0.000035 0.000392 0.000360 -0.000409 0.000472 0.000096 34O 1f+3 0.000979 -0.000394 -0.001865 -0.000130 -0.000104 -0.000808 34O 1f-3 -0.000146 -0.000003 0.000573 -0.000022 0.000027 0.000577 35O 1s -0.003479 -0.014546 -0.004250 0.012517 0.002907 -0.005382 35O 2s -0.008816 -0.035667 -0.011019 0.031674 0.007296 -0.013158 35O 3s 0.019570 0.062480 0.026647 -0.066297 -0.014655 0.024612 35O 4s -0.004194 0.081472 -0.012324 -0.008483 0.007343 0.018546 35O 5s 0.190407 0.367084 0.408158 -0.841316 -0.342904 0.004725 35O 1pz -0.019617 -0.028618 0.020773 -0.031487 0.016473 -0.015997 35O 1px 0.004388 0.004120 -0.011199 0.033670 0.019349 0.022865 35O 1py 0.049116 -0.027707 -0.017306 0.003824 -0.000235 -0.010596 35O 2pz -0.029881 -0.020403 0.006208 -0.041670 -0.018413 0.004708 35O 2px -0.004342 -0.002294 0.012652 -0.027860 -0.003092 0.008171 35O 2py 0.055861 -0.019207 -0.016088 -0.011583 -0.001082 -0.007499 35O 3pz 0.022065 -0.049888 0.100155 0.058406 0.185652 -0.215279 35O 3px 0.099673 0.012094 0.073897 -0.043255 0.007134 -0.070372 35O 3py 0.024134 -0.059505 0.032112 -0.041155 -0.044716 -0.162101 35O 1dz2 0.000399 0.000805 0.001147 -0.000462 0.001167 -0.000395 35O 1dxz -0.001064 -0.002022 0.000023 0.000411 -0.000130 0.001209 35O 1dyz 0.000363 -0.001788 -0.001038 0.000625 -0.000059 -0.000394 35O 1dx2y2 -0.002232 0.000038 0.000262 0.001259 0.000302 0.000493 35O 1dxy 0.001026 -0.001940 0.000137 0.001781 0.001216 0.000625 35O 2dz2 0.004760 0.006190 -0.008604 0.010226 0.004821 0.005145 35O 2dxz -0.002536 -0.002643 0.000130 0.001690 -0.000550 -0.001729 35O 2dyz -0.000067 0.000364 -0.000360 0.000568 -0.003503 0.004415 35O 2dx2y2 -0.001269 -0.002812 0.011230 -0.012897 -0.001051 -0.008635 35O 2dxy 0.004531 -0.003528 0.005846 -0.007413 0.002970 -0.007030 35O 1f0 -0.000227 0.000034 0.000456 0.000078 0.000374 -0.000063 35O 1f+1 0.000335 0.000096 -0.000353 0.000928 0.000663 -0.000120 35O 1f-1 0.000110 -0.000632 0.000099 0.000300 0.000611 -0.000519 35O 1f+2 -0.000289 0.000377 0.000031 -0.000447 -0.000344 0.000434 35O 1f-2 0.000181 -0.000478 -0.000303 0.000500 -0.000132 -0.000249 35O 1f+3 0.000448 -0.000044 -0.000441 0.000596 0.000420 0.000065 35O 1f-3 -0.000461 0.000232 -0.000400 0.000308 -0.000255 0.000086 156 157 158 159 160 161 0.22749 0.23114 0.23616 0.25067 0.25529 0.25669 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s -0.000287 -0.001622 -0.000472 -0.008007 -0.001278 -0.004919 0Rh 2s 0.001079 0.005616 0.001781 0.027545 0.004094 0.019456 0Rh 3s -0.001001 -0.005951 -0.001640 -0.029508 -0.004899 -0.016558 0Rh 4s -0.004744 -0.024444 -0.007844 -0.119877 -0.017639 -0.086061 0Rh 5s 0.003798 0.015545 0.006524 0.073739 0.007742 0.076757 0Rh 6s 0.008431 0.059079 0.012729 0.302229 0.057066 0.125146 0Rh 7s -0.041501 0.091037 0.047015 -1.428017 -0.837447 -0.456053 0Rh 8s 0.166425 -0.595424 -0.165775 1.648718 1.599165 1.947449 0Rh 1pz -0.000275 -0.003008 0.001642 -0.006350 -0.000866 0.003371 0Rh 1px 0.000306 -0.000555 -0.004392 0.019704 0.009329 0.011727 0Rh 1py -0.000679 -0.000646 0.004521 0.002643 0.005447 -0.000444 0Rh 2pz 0.000947 0.010261 -0.005633 0.022038 0.003021 -0.011541 0Rh 2px -0.001028 0.001920 0.015119 -0.068301 -0.032400 -0.040381 0Rh 2py 0.002275 0.002200 -0.015520 -0.009193 -0.018768 0.001540 0Rh 3pz -0.000937 -0.007890 0.004945 -0.024028 -0.003581 0.009495 0Rh 3px 0.000446 -0.002038 -0.014243 0.072884 0.035791 0.038081 0Rh 3py -0.000867 -0.001566 0.013879 0.010402 0.017911 -0.001603 0Rh 4pz -0.000759 -0.017339 0.007198 -0.011868 -0.000917 0.017793 0Rh 4px 0.003379 -0.000616 -0.016172 0.042518 0.015140 0.043319 0Rh 4py -0.007713 -0.004488 0.018373 0.003809 0.018787 -0.001046 0Rh 5pz -0.000725 0.000495 0.002453 -0.033752 -0.001592 0.003687 0Rh 5px -0.004987 -0.008402 -0.010155 0.095287 0.057861 0.030728 0Rh 5py 0.006797 0.002810 0.020448 0.013044 0.023736 -0.004483 0Rh 6pz -0.015439 0.134916 -0.126184 0.265243 -0.017984 -0.331642 0Rh 6px 0.002652 0.094694 0.144757 -0.802413 -0.392140 -0.950287 0Rh 6py 0.151852 -0.107104 -0.471185 -0.046164 -0.358659 0.033649 0Rh 1dz2 -0.000270 -0.000650 -0.000424 0.005106 0.006659 0.000278 0Rh 1dxz -0.000424 0.010811 -0.001131 0.005737 -0.001090 0.000473 0Rh 1dyz 0.005852 0.003124 0.003667 -0.002221 0.008566 -0.006626 0Rh 1dx2y2 0.000611 -0.000950 -0.001978 -0.016063 0.006591 -0.006043 0Rh 1dxy 0.002359 0.000362 -0.015780 -0.002757 -0.005373 0.000283 0Rh 2dz2 0.000669 0.000159 -0.000119 -0.000307 -0.000505 0.000208 0Rh 2dxz 0.000312 -0.000487 -0.000200 -0.000230 0.000105 -0.000249 0Rh 2dyz 0.000437 0.000208 -0.000652 0.000197 -0.000549 0.000093 0Rh 2dx2y2 0.000487 0.000150 0.000280 0.000983 -0.000330 0.000422 0Rh 2dxy 0.000227 -0.000055 0.000375 0.000096 0.000267 0.000407 0Rh 3dz2 -0.002213 0.000543 0.001258 -0.007723 -0.009780 -0.001248 0Rh 3dxz -0.000489 -0.017172 0.002889 -0.009129 0.001551 0.000287 0Rh 3dyz -0.012128 -0.006335 -0.003845 0.003134 -0.012830 0.011379 0Rh 3dx2y2 -0.003040 0.001010 0.002357 0.024267 -0.010376 0.008795 0Rh 3dxy -0.005108 -0.000485 0.026405 0.004415 0.008521 -0.002256 0Rh 4dz2 0.008624 0.003009 -0.001152 -0.010300 -0.016019 0.001662 0Rh 4dxz 0.004121 -0.020327 -0.000769 -0.010386 0.002318 -0.004526 0Rh 4dyz -0.002209 -0.001652 -0.013090 0.006116 -0.020452 0.010570 0Rh 4dx2y2 0.005101 0.002806 0.006368 0.033954 -0.013000 0.014892 0Rh 4dxy -0.000019 -0.000905 0.025595 0.005415 0.009495 0.005314 0Rh 5dz2 -0.031549 -0.014831 0.018848 -0.000606 0.015470 0.000795 0Rh 5dxz -0.009456 -0.019662 0.010468 -0.004846 0.012259 0.020499 0Rh 5dyz -0.045418 -0.035987 0.040000 -0.008204 0.023392 0.016714 0Rh 5dx2y2 -0.027031 0.002018 -0.006370 -0.001156 -0.016571 -0.021843 0Rh 5dxy -0.024496 -0.004744 0.051769 -0.004168 0.014202 -0.026688 0Rh 1f0 0.000669 0.000471 0.001540 0.003102 0.000701 0.002006 0Rh 1f+1 -0.000546 0.000282 -0.000300 -0.002756 -0.000985 0.002548 0Rh 1f-1 0.000678 -0.001735 0.003688 0.000027 -0.000178 0.001062 0Rh 1f+2 0.001289 -0.000327 0.001628 -0.004576 -0.000763 -0.003990 0Rh 1f-2 -0.000242 0.002029 -0.001945 -0.003303 0.003742 -0.003287 0Rh 1f+3 -0.000261 -0.001435 0.000193 -0.004560 -0.001136 0.001924 0Rh 1f-3 -0.000010 -0.001619 0.001562 -0.002207 -0.002441 -0.002388 1Rh 1s 0.000332 -0.001549 -0.000445 -0.007937 -0.002018 0.004844 1Rh 2s -0.001232 0.005336 0.001679 0.027267 0.007029 -0.019225 1Rh 3s 0.001167 -0.005705 -0.001548 -0.029278 -0.007385 0.016265 1Rh 4s 0.005409 -0.023213 -0.007393 -0.118644 -0.030625 0.085075 1Rh 5s -0.004199 0.014498 0.006150 0.072603 0.019394 -0.076466 1Rh 6s -0.010129 0.057125 0.011976 0.300586 0.075691 -0.121325 1Rh 7s 0.036421 0.097387 0.048441 -1.423632 -0.892699 0.333627 1Rh 8s -0.141856 -0.626054 -0.170828 1.624585 1.843755 -1.670835 1Rh 1pz -0.000463 0.002975 -0.001597 0.006405 0.000316 0.003375 1Rh 1px 0.000411 0.000688 0.004476 -0.019531 -0.011068 0.010302 1Rh 1py -0.000849 0.000504 -0.004559 -0.002613 -0.005452 -0.001215 1Rh 2pz 0.001590 -0.010144 0.005475 -0.022228 -0.001139 -0.011562 1Rh 2px -0.001387 -0.002374 -0.015407 0.067703 0.038386 -0.035438 1Rh 2py 0.002855 -0.001714 0.015652 0.009091 0.018784 0.004194 1Rh 3pz -0.001424 0.007747 -0.004798 0.024184 0.002050 0.009633 1Rh 3px 0.000742 0.002428 0.014502 -0.072317 -0.041403 0.032700 1Rh 3py -0.001329 0.001178 -0.014002 -0.010295 -0.017915 -0.004131 1Rh 4pz -0.001880 0.017354 -0.007019 0.012167 -0.002065 0.017424 1Rh 4px 0.003949 0.001276 0.016519 -0.041897 -0.021644 0.040749 1Rh 4py -0.008638 0.003688 -0.018509 -0.003745 -0.018852 -0.003724 1Rh 5pz -0.000531 -0.000776 -0.002295 0.033754 0.001341 0.003700 1Rh 5px -0.005293 0.008253 0.010333 -0.094703 -0.062606 0.022042 1Rh 5py 0.006663 -0.002841 -0.020535 -0.012848 -0.023446 -0.007812 1Rh 6pz -0.009098 -0.138132 0.119711 -0.268925 0.066183 -0.324221 1Rh 6px 0.003937 -0.102471 -0.151486 0.785317 0.543528 -0.881166 1Rh 6py 0.154834 0.122170 0.468801 0.041319 0.363681 0.079093 1Rh 1dz2 0.000206 -0.000625 -0.000492 0.005086 0.006823 0.000424 1Rh 1dxz -0.000147 0.010841 -0.001164 0.005677 -0.000997 -0.000987 1Rh 1dyz -0.005773 0.002613 0.003894 -0.002080 0.007366 0.007797 1Rh 1dx2y2 -0.000727 -0.001022 -0.001922 -0.015889 0.005328 0.007216 1Rh 1dxy -0.002919 0.000215 -0.015775 -0.002790 -0.005334 -0.000745 1Rh 2dz2 -0.000687 0.000086 -0.000089 -0.000311 -0.000454 -0.000262 1Rh 2dxz -0.000291 -0.000524 -0.000184 -0.000222 0.000069 0.000285 1Rh 2dyz -0.000498 0.000163 -0.000637 0.000197 -0.000525 -0.000183 1Rh 2dx2y2 -0.000482 0.000103 0.000308 0.000977 -0.000258 -0.000486 1Rh 2dxy -0.000216 -0.000088 0.000382 0.000091 0.000330 -0.000370 1Rh 3dz2 0.002400 0.000792 0.001260 -0.007669 -0.010267 0.000219 1Rh 3dxz 0.001414 -0.017079 0.002884 -0.009056 0.001547 0.000484 1Rh 3dyz 0.012234 -0.005245 -0.004311 0.002885 -0.010804 -0.013073 1Rh 3dx2y2 0.003226 0.001329 0.002147 0.023987 -0.008460 -0.010615 1Rh 3dxy 0.006058 -0.000088 0.026365 0.004496 0.008181 0.002936 1Rh 4dz2 -0.008781 0.002065 -0.000691 -0.010323 -0.015664 -0.003420 1Rh 4dxz -0.003086 -0.020782 -0.000537 -0.010210 0.001658 0.005579 1Rh 4dyz 0.001318 -0.001571 -0.013187 0.005918 -0.018418 -0.013584 1Rh 4dx2y2 -0.004864 0.002319 0.006630 0.033626 -0.010194 -0.017242 1Rh 4dxy 0.000869 -0.001150 0.025696 0.005390 0.010324 -0.004393 1Rh 5dz2 0.033952 -0.011251 0.017587 -0.000467 0.013755 0.001941 1Rh 5dxz 0.010433 -0.018494 0.009909 -0.004975 0.014433 -0.018196 1Rh 5dyz 0.050786 -0.031340 0.038259 -0.008641 0.025700 -0.012095 1Rh 5dx2y2 0.027158 0.004853 -0.007884 -0.001259 -0.018287 0.019084 1Rh 5dxy 0.027260 -0.002202 0.051087 -0.003741 0.010193 0.027900 1Rh 1f0 0.000619 -0.000443 -0.001545 -0.003066 -0.001067 0.001959 1Rh 1f+1 -0.000487 -0.000334 0.000341 0.002804 0.000538 0.002623 1Rh 1f-1 0.000436 0.001720 -0.003721 0.000009 -0.000034 0.001072 1Rh 1f+2 0.001196 0.000415 -0.001680 0.004494 0.001435 -0.003906 1Rh 1f-2 0.000029 -0.002128 0.001914 0.003261 -0.003192 -0.003789 1Rh 1f+3 -0.000320 0.001427 -0.000154 0.004580 0.000892 0.001971 1Rh 1f-3 -0.000196 0.001582 -0.001620 0.002186 0.002729 -0.002026 2C 1s 0.001686 0.004119 -0.004645 -0.008526 -0.001237 -0.002388 2C 2s 0.003438 0.008819 -0.009669 -0.018767 -0.002771 -0.005079 2C 3s 0.000267 -0.002904 -0.009668 0.010020 -0.001383 -0.002742 2C 4s -0.068309 -0.127256 0.230400 0.283149 0.043751 0.104882 2C 5s 0.202046 0.210189 -0.537366 -2.333013 0.911164 0.114700 2C 1pz 0.027147 -0.002346 0.044198 0.015767 -0.058514 0.008401 2C 1px -0.018583 -0.029479 0.042166 0.009773 0.001255 0.055586 2C 1py -0.047267 -0.061309 0.018626 0.004669 -0.014691 0.006535 2C 2pz 0.047430 0.023486 0.045388 0.028901 -0.039330 0.019818 2C 2px -0.003640 -0.024093 0.032116 0.011984 0.031193 0.012536 2C 2py -0.065314 -0.083325 0.041937 0.005799 0.017740 0.021103 2C 3pz -0.804005 -0.930355 0.057662 -1.014612 0.205368 0.127487 2C 3px 0.435150 0.569147 -0.948554 -0.453260 -0.818815 -0.597362 2C 3py 1.094945 1.059491 0.296049 -0.540982 -0.441805 0.045729 2C 1dz2 0.001766 0.003995 -0.000987 0.004500 0.000034 0.000628 2C 1dxz -0.004409 -0.006911 -0.004001 -0.000026 0.004385 -0.004028 2C 1dyz -0.004473 -0.004384 0.003382 0.007666 0.007721 0.004175 2C 1dx2y2 -0.008160 -0.007323 0.006458 -0.000237 0.002649 0.006000 2C 1dxy 0.010491 0.007336 0.005617 0.002292 0.002311 0.000296 2C 2dz2 0.031031 0.043993 -0.015867 -0.001687 0.006985 -0.009640 2C 2dxz 0.015721 0.010392 0.049702 0.005408 0.032978 0.045772 2C 2dyz 0.011432 0.028622 -0.046192 -0.011498 0.011673 -0.039064 2C 2dx2y2 0.045519 0.027632 -0.003365 0.001194 -0.032894 -0.020703 2C 2dxy -0.044395 -0.048839 -0.006089 -0.005145 0.021614 -0.002395 2C 1f0 0.007785 0.007757 -0.000403 0.000458 -0.002569 -0.002050 2C 1f+1 -0.002656 -0.001628 -0.003858 -0.000998 0.001828 -0.003036 2C 1f-1 -0.002754 -0.002088 0.001814 0.001869 0.001788 0.002743 2C 1f+2 -0.001531 -0.001697 0.002577 -0.000374 0.000830 0.004291 2C 1f-2 0.002203 -0.000354 0.006499 0.001701 0.000696 0.003992 2C 1f+3 0.005573 0.005997 -0.000186 -0.000584 0.000017 -0.000776 2C 1f-3 0.001229 0.002958 -0.006569 -0.001522 -0.000532 -0.006449 3C 1s -0.003918 -0.001490 0.005807 -0.006141 -0.008912 -0.003959 3C 2s -0.008102 -0.003386 0.012461 -0.013639 -0.019509 -0.008175 3C 3s -0.005721 0.003587 -0.001669 0.007019 0.016510 -0.001842 3C 4s 0.190979 0.048219 -0.205850 0.212586 0.229285 0.140125 3C 5s -0.429740 -0.372855 0.743096 -1.274672 -2.358844 0.146419 3C 1pz -0.005874 -0.012249 -0.031632 -0.016437 0.034476 0.001249 3C 1px 0.037283 -0.010443 -0.055085 0.011539 -0.009454 0.067499 3C 1py -0.008829 -0.055447 0.036754 0.023918 -0.057112 -0.007383 3C 2pz 0.024435 -0.008235 -0.045825 -0.006515 0.012540 -0.002905 3C 2px 0.022605 -0.032584 -0.062353 0.030115 -0.016303 0.076667 3C 2py -0.003848 -0.070155 0.007557 -0.009542 -0.018835 0.023073 3C 3pz 0.477509 0.728326 0.154175 -0.087125 -0.909240 -0.102658 3C 3px -0.820469 0.409226 1.242680 -1.025036 0.950048 -0.879491 3C 3py 0.077968 0.620708 0.519087 0.821619 0.776526 -0.654005 3C 1dz2 -0.002126 -0.006348 -0.001935 -0.002698 0.000809 0.001665 3C 1dxz -0.007577 0.003284 0.007690 -0.002355 0.008848 -0.005731 3C 1dyz -0.006881 -0.003466 -0.000470 -0.009992 0.002826 0.002205 3C 1dx2y2 0.003725 0.004395 -0.001254 -0.001545 -0.006216 -0.000062 3C 1dxy -0.000618 0.004979 0.007908 -0.005413 0.001679 -0.006315 3C 2dz2 -0.003048 0.007892 0.008404 -0.003033 0.003169 -0.003179 3C 2dxz 0.036899 -0.032127 -0.037384 0.033341 -0.068280 0.042693 3C 2dyz 0.051827 0.038566 -0.040686 0.012701 -0.011688 0.035844 3C 2dx2y2 -0.014515 -0.029319 -0.048959 -0.017663 0.035605 0.038339 3C 2dxy -0.012823 -0.006632 -0.004299 -0.020612 0.043917 0.000427 3C 1f0 -0.001793 -0.004768 -0.003362 -0.001490 0.001494 0.003476 3C 1f+1 -0.005418 -0.000956 0.004263 -0.002552 0.004600 -0.003468 3C 1f-1 0.002112 0.004465 -0.000041 -0.000280 0.001850 -0.000590 3C 1f+2 -0.003303 -0.000508 0.003390 -0.001650 -0.001461 -0.002336 3C 1f-2 0.001815 0.000017 -0.000702 0.000223 -0.002759 0.000928 3C 1f+3 0.000846 -0.004867 -0.003305 0.002629 -0.004789 0.003388 3C 1f-3 0.005827 0.000607 -0.007103 0.002098 -0.003740 0.006224 4C 1s 0.000057 -0.008667 0.011416 0.013650 -0.014242 0.002078 4C 2s 0.000010 -0.020431 0.025920 0.029174 -0.031953 0.004870 4C 3s 0.014703 0.046204 -0.053335 0.020652 0.035080 -0.027616 4C 4s -0.100517 0.026750 -0.104223 -0.671902 0.346910 0.092635 4C 5s -0.054447 1.262178 -0.675186 1.082674 0.063833 -0.565382 4C 1pz 0.014756 0.035679 -0.026572 -0.051685 -0.000241 -0.008326 4C 1px 0.006046 -0.008223 0.017985 -0.014051 0.032281 -0.051720 4C 1py -0.032952 -0.022765 -0.006253 -0.031738 -0.009860 0.022589 4C 2pz -0.002284 0.113589 -0.061762 -0.114537 0.076909 0.013482 4C 2px 0.102793 -0.043769 0.003151 -0.052256 0.122414 -0.176762 4C 2py -0.062425 -0.005416 -0.001221 -0.070778 0.032109 0.059074 4C 3pz 0.164846 0.637701 -0.039798 -1.500295 -0.068300 0.275307 4C 3px -0.098219 -0.654779 0.486151 -0.251868 0.832044 0.024124 4C 3py -0.284877 -0.343504 -0.228169 -1.134051 0.526008 -0.172490 4C 1dz2 0.003937 0.002714 0.002810 0.002531 0.003594 -0.001694 4C 1dxz 0.001771 0.007310 -0.003923 0.002893 0.001143 0.000890 4C 1dyz -0.002547 -0.008325 0.005059 0.004293 -0.002274 0.003046 4C 1dx2y2 0.002126 -0.005228 0.007108 -0.001318 -0.008076 0.001919 4C 1dxy -0.001941 -0.004966 0.005962 0.001013 -0.005006 0.003889 4C 2dz2 -0.036026 -0.024414 0.007351 0.022150 -0.013459 0.022220 4C 2dxz 0.040602 -0.016540 -0.031737 0.016942 -0.002613 -0.034687 4C 2dyz -0.020836 -0.022587 0.029314 -0.006965 -0.015244 0.027387 4C 2dx2y2 -0.024861 -0.013065 0.013656 -0.046121 0.015842 0.021141 4C 2dxy 0.047114 0.017879 0.010121 -0.030637 0.000577 -0.007508 4C 1f0 -0.001966 -0.001757 0.000381 0.003225 0.000836 -0.000279 4C 1f+1 0.004391 0.002953 -0.002016 0.006301 -0.001854 -0.003256 4C 1f-1 0.000211 0.001581 -0.000779 -0.000157 0.001763 0.000082 4C 1f+2 -0.000997 0.001275 0.001763 -0.004745 -0.000867 0.002311 4C 1f-2 0.003244 0.000990 -0.003401 -0.001615 0.000890 -0.003577 4C 1f+3 -0.003648 -0.001895 -0.000577 -0.000674 -0.000039 0.001007 4C 1f-3 -0.000330 0.000679 -0.000992 0.006096 0.000121 0.001308 5C 1s 0.002622 0.010227 -0.016391 0.001289 0.021996 -0.001108 5C 2s 0.005495 0.022434 -0.037265 0.001361 0.049665 -0.000849 5C 3s -0.029052 -0.024002 0.064745 0.045854 -0.036853 -0.054128 5C 4s 0.084065 -0.257164 0.212933 -0.360594 -0.581157 0.426593 5C 5s 0.177682 0.085115 0.909956 1.420555 -0.664916 -1.128943 5C 1pz -0.010808 -0.019819 0.000943 -0.033905 -0.003227 0.026369 5C 1px -0.002928 -0.020210 -0.021138 -0.005693 -0.024187 -0.011381 5C 1py 0.006413 0.002199 -0.051222 0.027570 0.057138 -0.007793 5C 2pz 0.048754 -0.039823 0.046001 -0.032983 -0.067194 0.030578 5C 2px -0.123971 0.005571 -0.060551 -0.017337 -0.072597 0.075328 5C 2py -0.053416 0.045212 -0.153983 0.002624 0.221529 -0.003768 5C 3pz -0.075517 -0.411929 0.371848 -0.642204 -0.891428 -0.027995 5C 3px 0.056586 -0.088539 -0.779230 -0.014530 -1.356710 0.871438 5C 3py -0.114336 -0.170445 -0.542715 0.936996 1.598561 0.010423 5C 1dz2 -0.003659 -0.004593 0.005636 0.003583 -0.008582 -0.003500 5C 1dxz -0.000546 -0.003317 0.005400 0.005521 -0.005110 -0.001443 5C 1dyz -0.001147 -0.001048 0.011597 0.002512 -0.012656 -0.006981 5C 1dx2y2 0.001274 -0.000663 -0.007311 -0.007886 0.007613 0.005154 5C 1dxy -0.001300 -0.002208 -0.000226 -0.003201 0.000918 -0.000126 5C 2dz2 -0.010108 -0.007321 0.009363 0.027139 0.015029 -0.017160 5C 2dxz -0.062097 0.020549 0.015833 -0.003519 0.062938 0.005817 5C 2dyz -0.067976 -0.016957 0.026733 0.014387 0.011822 -0.024616 5C 2dx2y2 -0.000989 0.023020 0.013818 -0.025924 -0.057028 0.004516 5C 2dxy 0.056410 -0.013443 0.025894 0.015480 -0.035745 -0.053501 5C 1f0 -0.002580 0.003149 0.000615 0.001714 0.003092 -0.001741 5C 1f+1 0.000508 -0.000956 0.000259 0.004921 0.000774 -0.003067 5C 1f-1 -0.001716 0.000741 0.000361 -0.000888 0.000063 0.000788 5C 1f+2 -0.000032 0.000541 -0.001129 -0.001468 0.002404 0.001091 5C 1f-2 0.007168 -0.000318 -0.000487 -0.002153 -0.003754 0.000830 5C 1f+3 -0.004762 0.001162 0.004657 0.002559 0.005165 -0.005254 5C 1f-3 0.000785 0.000132 0.001564 -0.006321 -0.001829 0.001792 6C 1s -0.003973 0.010070 -0.016203 0.001367 0.021570 0.004371 6C 2s -0.008545 0.022097 -0.036881 0.001511 0.048958 0.008291 6C 3s 0.034251 -0.021480 0.064534 0.046325 -0.044203 0.046737 6C 4s -0.064029 -0.266543 0.206451 -0.367043 -0.512243 -0.498399 6C 5s -0.103458 0.086695 0.935506 1.433494 -0.822857 0.982578 6C 1pz -0.012228 0.020399 0.000021 0.034113 0.000305 0.026262 6C 1px -0.003451 0.020174 0.021123 0.005530 0.025921 -0.008075 6C 1py 0.008836 -0.000848 0.051045 -0.028086 -0.054534 -0.016274 6C 2pz 0.044773 0.048105 -0.045870 0.032249 0.066840 0.040160 6C 2px -0.120630 -0.016392 0.063994 0.019647 0.054825 0.085642 6C 2py -0.043809 -0.047805 0.155346 -0.003020 -0.218416 -0.037168 6C 3pz -0.118839 0.412127 -0.362904 0.641407 0.893261 0.097371 6C 3px 0.083248 0.102345 0.774996 0.031246 1.181034 1.068800 6C 3py -0.122699 0.162103 0.537243 -0.939567 -1.593802 -0.235414 6C 1dz2 0.004366 -0.004420 0.005534 0.003616 -0.009060 0.002068 6C 1dxz 0.001065 -0.003384 0.005415 0.005543 -0.005312 0.000548 6C 1dyz 0.001784 -0.000866 0.011661 0.002557 -0.013525 0.004809 6C 1dx2y2 -0.001566 -0.000893 -0.007330 -0.007908 0.008248 -0.003671 6C 1dxy 0.001475 -0.002097 -0.000265 -0.003214 0.000904 0.000340 6C 2dz2 0.011213 -0.007097 0.009420 0.027311 0.012148 0.019187 6C 2dxz 0.060844 0.026688 0.013765 -0.003850 0.064235 0.003155 6C 2dyz 0.070826 -0.011536 0.025435 0.014312 0.009022 0.025869 6C 2dx2y2 -0.000664 0.023971 0.013931 -0.026015 -0.055249 -0.013213 6C 2dxy -0.054795 -0.018289 0.028006 0.016751 -0.044855 0.047499 6C 1f0 -0.002357 -0.003462 -0.000550 -0.001727 -0.002833 -0.002049 6C 1f+1 0.000337 0.001066 -0.000320 -0.004964 -0.000292 -0.003087 6C 1f-1 -0.001693 -0.000899 -0.000300 0.000927 -0.000269 0.000762 6C 1f+2 0.000036 -0.000492 0.001174 0.001477 -0.002544 0.000741 6C 1f-2 0.007238 0.000882 0.000324 0.002113 0.003752 0.001310 6C 1f+3 -0.004854 -0.001646 -0.004541 -0.002618 -0.004320 -0.005851 6C 1f-3 0.000767 -0.000179 -0.001528 0.006352 0.001525 0.001909 7C 1s 0.001074 -0.008821 0.011306 0.013600 -0.013842 -0.004202 7C 2s 0.002602 -0.020748 0.025672 0.029054 -0.030988 -0.009583 7C 3s -0.020353 0.046037 -0.052371 0.021097 0.029486 0.031365 7C 4s 0.092550 0.033737 -0.105900 -0.672883 0.367637 -0.030012 7C 5s -0.062295 1.263229 -0.674006 1.100008 -0.054072 0.515195 7C 1pz 0.019004 -0.035103 0.025679 0.051616 0.001056 -0.008194 7C 1px 0.005831 0.007795 -0.018463 0.013227 -0.023664 -0.055827 7C 1py -0.034561 0.020369 0.007599 0.032249 0.005847 0.022832 7C 2pz 0.008999 -0.114668 0.061317 0.114184 -0.077616 0.003393 7C 2px 0.100696 0.050869 -0.006990 0.050155 -0.096233 -0.193924 7C 2py -0.063867 0.001797 0.004508 0.072127 -0.041984 0.052465 7C 3pz 0.202743 -0.619569 0.031492 1.504575 0.018481 0.279889 7C 3px -0.149164 0.634885 -0.482172 0.252915 -0.837979 -0.114898 7C 3py -0.304868 0.319276 0.229233 1.135403 -0.508808 -0.261124 7C 1dz2 -0.004081 0.002503 0.002916 0.002544 0.003294 0.002191 7C 1dxz -0.002416 0.007232 -0.003850 0.002893 0.001162 -0.000957 7C 1dyz 0.003378 -0.008227 0.004967 0.004236 -0.001668 -0.003245 7C 1dx2y2 -0.001538 -0.005408 0.007114 -0.001356 -0.007664 -0.002912 7C 1dxy 0.002532 -0.004863 0.005840 0.000953 -0.004339 -0.004503 7C 2dz2 0.037668 -0.021153 0.006034 0.021872 -0.009635 -0.023781 7C 2dxz -0.040330 -0.019781 -0.030531 0.016964 -0.006824 0.034759 7C 2dyz 0.023787 -0.022146 0.028145 -0.007371 -0.010424 -0.028603 7C 2dx2y2 0.027055 -0.012651 0.012119 -0.046331 0.019014 -0.018146 7C 2dxy -0.047153 0.012806 0.011698 -0.030397 0.000042 0.007462 7C 1f0 -0.002065 0.001514 -0.000292 -0.003224 -0.000686 -0.000372 7C 1f+1 0.004603 -0.002676 0.001789 -0.006307 0.002303 -0.002832 7C 1f-1 0.000416 -0.001655 0.000715 0.000150 -0.001724 -0.000153 7C 1f+2 -0.000976 -0.001245 -0.001752 0.004733 0.000422 0.002391 7C 1f-2 0.003456 -0.000748 0.003319 0.001564 -0.000370 -0.003740 7C 1f+3 -0.003775 0.001605 0.000737 0.000724 -0.000124 0.000876 7C 1f-3 -0.000217 -0.000799 0.001010 -0.006081 -0.000251 0.001373 8C 1s 0.004260 -0.001223 0.005713 -0.006129 -0.009392 0.002544 8C 2s 0.008850 -0.002828 0.012273 -0.013619 -0.020483 0.005108 8C 3s 0.005572 0.003951 -0.001968 0.007007 0.016061 0.004025 8C 4s -0.203228 0.035113 -0.199733 0.212463 0.247031 -0.101965 8C 5s 0.455209 -0.355170 0.712535 -1.281378 -2.316986 -0.503452 8C 1pz -0.006348 0.012755 0.031846 0.016207 -0.034580 -0.004311 8C 1px 0.038783 0.014882 0.054135 -0.010620 -0.000924 0.067871 8C 1py -0.015233 0.055946 -0.036695 -0.023937 0.057278 0.001242 8C 2pz 0.025451 0.012355 0.044953 0.005760 -0.011945 -0.004327 8C 2px 0.022269 0.036326 0.061074 -0.028903 0.003839 0.077503 8C 2py -0.010971 0.071462 -0.007432 0.009798 0.014566 0.024662 8C 3pz 0.540276 -0.716576 -0.176408 0.091589 0.907300 0.049781 8C 3px -0.833291 -0.502946 -1.206790 1.017360 -0.801224 -1.010056 8C 3py 0.101516 -0.644902 -0.527110 -0.827575 -0.671911 -0.742390 8C 1dz2 0.002765 -0.006350 -0.001898 -0.002780 0.001138 -0.001256 8C 1dxz 0.007519 0.004361 0.007496 -0.002277 0.007904 0.006974 8C 1dyz 0.007245 -0.002950 -0.000627 -0.010070 0.003216 -0.001470 8C 1dx2y2 -0.004209 0.004187 -0.001176 -0.001546 -0.006110 -0.001065 8C 1dxy 0.000412 0.005328 0.007889 -0.005284 0.000555 0.006424 8C 2dz2 0.001957 0.007927 0.007464 -0.002660 0.002022 0.002744 8C 2dxz -0.035540 -0.037756 -0.036437 0.032752 -0.061058 -0.052565 8C 2dyz -0.057481 0.034697 -0.039726 0.012418 -0.006774 -0.038362 8C 2dx2y2 0.015482 -0.029172 -0.049515 -0.018166 0.041131 -0.031008 8C 2dxy 0.014063 -0.006164 -0.004846 -0.020737 0.043893 0.006909 8C 1f0 -0.002186 0.004794 0.003413 0.001573 -0.002094 0.002990 8C 1f+1 -0.005714 0.000373 -0.004197 0.002504 -0.003977 -0.004247 8C 1f-1 0.002588 -0.004492 -0.000023 0.000244 -0.001661 -0.000790 8C 1f+2 -0.003499 0.000152 -0.003325 0.001657 0.001761 -0.002093 8C 1f-2 0.001747 0.000259 0.000601 -0.000184 0.002608 0.001324 8C 1f+3 0.000407 0.005175 0.003177 -0.002545 0.004182 0.003910 8C 1f-3 0.006242 0.000042 0.006998 -0.002055 0.002867 0.006790 9C 1s -0.002165 0.004097 -0.004562 -0.008505 -0.001599 0.002180 9C 2s -0.004464 0.008790 -0.009511 -0.018720 -0.003560 0.004622 9C 3s -0.000347 -0.003141 -0.009360 0.010028 -0.001202 0.002566 9C 4s 0.086456 -0.125113 0.225417 0.282569 0.056065 -0.098752 9C 5s -0.229008 0.201372 -0.518290 -2.342705 0.950064 0.049555 9C 1pz 0.025227 0.004688 -0.044675 -0.015546 0.056151 0.016826 9C 1px -0.021005 0.027326 -0.040778 -0.008957 -0.009246 0.054758 9C 1py -0.053075 0.058557 -0.017085 -0.004493 0.013242 0.008270 9C 2pz 0.046346 -0.019159 -0.046979 -0.028161 0.035593 0.026917 9C 2px -0.003658 0.021522 -0.030788 -0.011825 -0.031640 0.007665 9C 2py -0.074276 0.078751 -0.038364 -0.005718 -0.020429 0.016820 9C 3pz -0.874449 0.864993 -0.031937 1.015399 -0.234521 0.073838 9C 3px 0.477660 -0.509915 0.928400 0.445854 0.881923 -0.478991 9C 3py 1.163772 -0.976141 -0.330274 0.549077 0.435357 0.118300 9C 1dz2 -0.002086 0.003860 -0.000879 0.004476 0.000098 -0.000722 9C 1dxz 0.004607 -0.006462 -0.004211 -0.000030 0.003781 0.004933 9C 1dyz 0.005082 -0.004167 0.003083 0.007619 0.008200 -0.003031 9C 1dx2y2 0.009185 -0.006902 0.005934 -0.000395 0.003452 -0.005493 9C 1dxy -0.010591 0.006344 0.006120 0.002333 0.002451 -0.000246 9C 2dz2 -0.034655 0.041959 -0.015104 -0.001481 0.004818 0.010309 9C 2dxz -0.014547 0.008934 0.049994 0.004853 0.038844 -0.041690 9C 2dyz -0.015885 0.028823 -0.044762 -0.010747 0.005416 0.039743 9C 2dx2y2 -0.049393 0.025481 -0.001131 0.001704 -0.035996 0.015456 9C 2dxy 0.046099 -0.044360 -0.007609 -0.005282 0.020432 0.006682 9C 1f0 0.008425 -0.007231 0.000092 -0.000515 0.002859 -0.001547 9C 1f+1 -0.002432 0.001281 0.003971 0.000975 -0.001257 -0.003422 9C 1f-1 -0.003005 0.001860 -0.001578 -0.001796 -0.002096 0.002408 9C 1f+2 -0.001747 0.001546 -0.002262 0.000504 -0.001420 0.003970 9C 1f-2 0.001877 0.000579 -0.006525 -0.001639 -0.001279 0.003946 9C 1f+3 0.005973 -0.005533 -0.000207 0.000510 0.000094 -0.000475 9C 1f-3 0.001899 -0.003115 0.006527 0.001460 0.001482 -0.006404 10H 1s -0.012112 -0.002634 0.013242 -0.005737 -0.011509 0.018488 10H 2s -0.202284 -0.152391 0.251513 0.030834 0.046673 0.316932 10H 3s -0.292404 -0.365003 0.538432 0.031117 0.116416 -0.002841 10H 1pz -0.017871 -0.018346 0.008842 -0.001752 0.007599 0.015345 10H 1px 0.006004 0.001835 -0.008821 -0.004611 -0.006862 -0.017870 10H 1py 0.010213 0.007916 0.011322 -0.000203 -0.000369 0.007149 11H 1s -0.017555 -0.019116 -0.013502 -0.018063 -0.007640 -0.008928 11H 2s -0.237589 -0.191671 -0.289041 -0.114042 -0.032749 -0.216058 11H 3s -0.352183 -0.484535 0.009448 -0.149566 -0.469065 0.114699 11H 1pz -0.016041 -0.011950 -0.013812 -0.004167 0.003251 -0.010190 11H 1px 0.003071 0.005822 -0.022069 -0.004418 -0.002670 -0.020237 11H 1py 0.011287 0.008847 0.004729 -0.001635 -0.008813 0.002054 12H 1s 0.030604 0.020565 0.002198 -0.014517 -0.009988 -0.011530 12H 2s 0.443670 0.407667 -0.028774 -0.055199 -0.159183 -0.164086 12H 3s 0.505914 0.434727 0.103314 -0.070612 -0.616994 -0.019124 12H 1pz -0.002291 0.000009 0.000658 -0.002641 -0.009205 0.001791 12H 1px 0.011184 0.011989 -0.015051 -0.003545 -0.007320 -0.014452 12H 1py 0.025559 0.025531 0.000582 -0.000275 -0.004062 -0.006493 13H 1s 0.021068 0.004358 -0.004882 -0.001266 -0.024323 -0.001230 13H 2s 0.338199 0.034810 -0.198500 0.148111 -0.364916 0.149706 13H 3s 0.435707 0.074418 -0.559120 0.158028 -0.451054 0.153056 13H 1pz 0.016718 0.010454 -0.001532 0.008298 -0.016864 0.004139 13H 1px -0.011295 0.005415 0.006239 -0.010749 0.014609 -0.007870 13H 1py -0.009394 0.006107 0.016292 -0.002739 0.013620 -0.016628 14H 1s -0.010822 0.016244 0.014841 -0.018755 0.004596 -0.013094 14H 2s -0.159420 0.250888 0.325845 -0.155697 0.183524 -0.307542 14H 3s -0.092143 0.431426 0.330998 -0.395218 0.451129 -0.166716 14H 1pz 0.004655 0.014615 0.008899 0.002351 -0.005334 -0.010879 14H 1px -0.017188 0.008766 0.022583 -0.008630 0.015115 -0.020592 14H 1py 0.003416 -0.000760 -0.002367 0.008091 -0.006153 0.001627 15H 1s -0.015803 -0.017321 -0.010325 -0.022223 0.004217 0.013880 15H 2s -0.231145 -0.286914 -0.039296 -0.136892 0.085100 0.073920 15H 3s -0.096011 -0.184688 -0.458517 -0.477268 0.498147 0.407345 15H 1pz 0.010707 0.010767 -0.003250 -0.000941 -0.002994 0.000674 15H 1px -0.014666 0.000086 0.013771 -0.008999 0.013428 -0.010174 15H 1py 0.010419 0.018064 0.000632 0.001350 0.003057 -0.000121 16H 1s -0.000489 0.012185 -0.004506 0.002262 -0.005951 -0.018378 16H 2s 0.021772 0.106781 -0.074007 -0.060752 0.095880 -0.112931 16H 3s -0.071762 0.101508 0.087256 0.097503 -0.364218 -0.125926 16H 1pz 0.002833 0.004613 -0.007156 -0.009652 0.014987 -0.003220 16H 1px -0.001760 0.000425 0.001891 0.002935 -0.009251 -0.003199 16H 1py 0.001581 0.001425 -0.002212 -0.003103 0.003778 -0.002001 17H 1s 0.002911 -0.003242 -0.006096 0.004235 -0.005364 0.015149 17H 2s 0.004105 -0.062085 0.014860 0.027543 -0.106211 0.160837 17H 3s 0.030358 0.155616 -0.136183 -0.021286 0.020816 -0.126191 17H 1pz 0.000355 0.004383 -0.001124 0.000806 0.006357 -0.009302 17H 1px 0.001780 0.005516 -0.007274 -0.000855 0.009960 -0.006380 17H 1py -0.000243 -0.003045 0.000589 -0.001048 -0.003625 0.004547 18H 1s -0.002719 -0.003766 -0.005974 0.004010 -0.002527 -0.015617 18H 2s 0.000338 -0.062946 0.013363 0.023986 -0.074836 -0.171161 18H 3s -0.041709 0.150503 -0.132383 -0.019333 0.005477 0.121782 18H 1pz 0.000662 -0.004526 0.001200 -0.001001 -0.004864 -0.010128 18H 1px 0.002257 -0.005187 0.007041 0.000621 -0.008670 -0.007513 18H 1py -0.000285 0.002758 -0.000367 0.001222 0.002367 0.004516 19H 1s -0.000500 0.012409 -0.004863 0.002580 -0.009029 0.016726 19H 2s -0.032435 0.106008 -0.076115 -0.058762 0.074395 0.123527 19H 3s 0.070047 0.109895 0.083665 0.098263 -0.372801 0.063429 19H 1pz 0.003359 -0.004268 0.007022 0.009423 -0.013844 -0.005336 19H 1px -0.001878 -0.000536 -0.001860 -0.003087 0.009802 -0.001541 19H 1py 0.001845 -0.001473 0.002446 0.003317 -0.003728 -0.002790 20H 1s 0.016991 -0.016879 -0.010999 -0.022404 0.006204 -0.012353 20H 2s 0.258511 -0.278068 -0.046612 -0.138486 0.096736 -0.050880 20H 3s 0.094072 -0.189282 -0.462916 -0.481021 0.550496 -0.309875 20H 1pz 0.011892 -0.010268 0.002832 0.000968 0.002867 0.001260 20H 1px -0.015452 -0.001479 -0.013370 0.008945 -0.011879 -0.012204 20H 1py 0.012200 -0.017765 -0.000896 -0.001396 -0.002855 -0.000199 21H 1s 0.009908 0.018146 0.014640 -0.018758 0.002905 0.013394 21H 2s 0.149972 0.279342 0.322342 -0.152777 0.136476 0.326581 21H 3s 0.069336 0.458893 0.324876 -0.394479 0.422460 0.229804 21H 1pz 0.005571 -0.014879 -0.009260 -0.002460 0.006857 -0.009640 21H 1px -0.017395 -0.010835 -0.022085 0.008473 -0.011960 -0.022440 21H 1py 0.003391 0.000989 0.002144 -0.007996 0.005639 0.002583 22H 1s -0.021687 0.002393 -0.004107 -0.001168 -0.024490 -0.002579 22H 2s -0.350009 0.001959 -0.186842 0.146691 -0.339924 -0.206049 22H 3s -0.460486 0.036464 -0.539203 0.157059 -0.418060 -0.218031 22H 1pz 0.017768 -0.009294 0.000945 -0.008159 0.016020 0.006987 22H 1px -0.011210 -0.006740 -0.005862 0.010715 -0.013459 -0.010038 22H 1py -0.009626 -0.007468 -0.016062 0.002585 -0.011067 -0.018434 23H 1s -0.032118 0.018420 0.003358 -0.014354 -0.011634 0.009758 23H 2s -0.474443 0.375220 -0.012315 -0.051947 -0.182681 0.134277 23H 3s -0.528549 0.385966 0.124673 -0.071182 -0.611080 -0.078322 23H 1pz -0.002528 0.000020 -0.000668 0.002653 0.008706 0.003221 23H 1px 0.012242 -0.010903 0.014545 0.003338 0.009256 -0.013233 23H 1py 0.027555 -0.023865 -0.001270 0.000130 0.005240 -0.005661 24H 1s 0.018450 -0.017870 -0.013987 -0.018041 -0.008343 0.008484 24H 2s 0.240866 -0.173459 -0.295100 -0.111944 -0.061347 0.215903 24H 3s 0.389220 -0.457897 -0.009926 -0.151080 -0.444291 -0.169078 24H 1pz -0.016429 0.010713 0.014076 0.004046 -0.001771 -0.010602 24H 1px 0.004033 -0.005446 0.021862 0.004177 0.005364 -0.019941 24H 1py 0.011738 -0.008048 -0.004752 0.001695 0.008622 0.003232 25H 1s 0.012912 -0.001679 0.012654 -0.005963 -0.009024 -0.020395 25H 2s 0.221666 -0.136601 0.241115 0.026515 0.088985 -0.310193 25H 3s 0.331723 -0.336507 0.525248 0.032624 0.107524 0.017246 25H 1pz -0.019523 0.017025 -0.008108 0.001993 -0.009882 0.013990 25H 1px 0.006309 -0.001286 0.008566 0.004373 0.009239 -0.016937 25H 1py 0.010474 -0.007116 -0.011523 0.000351 -0.000545 0.007144 26O 1s 0.001539 0.000567 -0.002975 -0.010544 0.012629 -0.004411 26O 2s 0.003496 0.000973 -0.007390 -0.025556 0.032270 -0.010138 26O 3s -0.000123 0.004898 0.013481 0.037115 -0.073958 0.006268 26O 4s -0.054254 -0.043029 0.022038 0.082741 0.038615 0.088827 26O 5s 0.052729 0.121135 0.011741 0.574713 -1.119712 -0.018116 26O 1pz 0.030859 0.016598 -0.012671 0.026998 0.018592 -0.002971 26O 1px 0.002305 0.044854 -0.051360 0.000721 0.034690 -0.011938 26O 1py -0.008457 0.003262 0.004548 0.013918 0.036630 -0.017381 26O 2pz 0.033845 0.020322 0.016538 0.018388 0.028463 0.033441 26O 2px 0.023230 0.043620 -0.038288 -0.021915 0.055189 -0.005511 26O 2py -0.032188 -0.035062 0.013413 -0.002899 0.061793 0.009080 26O 3pz 0.038922 -0.017438 -0.171764 0.110970 -0.086133 -0.255871 26O 3px 0.017477 0.096387 -0.185361 -0.341568 0.238839 -0.197591 26O 3py 0.131303 0.177010 -0.067902 -0.046372 0.005644 -0.241159 26O 1dz2 -0.000203 -0.000092 0.001505 0.001505 -0.000611 0.000694 26O 1dxz -0.000465 -0.000894 0.000804 -0.000772 -0.000337 -0.001476 26O 1dyz -0.000668 -0.000963 0.000281 -0.001297 -0.000226 -0.000209 26O 1dx2y2 0.000062 0.000545 -0.000286 -0.002583 0.001302 -0.001174 26O 1dxy 0.000775 0.000430 -0.000364 -0.003065 0.000964 -0.002423 26O 2dz2 0.012716 0.004011 -0.002450 -0.004335 0.000121 -0.005960 26O 2dxz -0.000277 -0.000219 0.001296 -0.004171 -0.002615 -0.002184 26O 2dyz -0.001573 -0.006331 -0.000085 -0.001703 -0.004787 -0.005473 26O 2dx2y2 -0.007187 -0.001924 0.005952 0.008779 -0.005076 0.007466 26O 2dxy -0.001065 0.000508 0.002116 0.005663 -0.011347 0.002242 26O 1f0 -0.000049 -0.000320 -0.000178 0.000343 -0.000310 -0.000007 26O 1f+1 -0.000405 0.000141 -0.000146 0.000400 -0.000503 0.000067 26O 1f-1 0.000376 0.000520 -0.000755 0.000426 -0.000422 -0.000265 26O 1f+2 -0.000311 -0.000375 0.000285 -0.000280 0.000357 0.000259 26O 1f-2 0.000112 0.000848 -0.000632 -0.000300 0.000193 -0.000374 26O 1f+3 -0.000408 -0.000373 0.000136 0.000107 -0.000080 0.000450 26O 1f-3 0.000134 -0.000016 0.000521 0.000815 -0.000855 0.000157 27O 1s -0.004017 -0.006122 0.003853 -0.001760 -0.014902 0.001013 27O 2s -0.009565 -0.015382 0.008892 -0.003457 -0.037557 0.003602 27O 3s 0.011326 0.032543 -0.006597 -0.008577 0.077926 -0.021628 27O 4s 0.061803 0.001562 -0.078374 0.085169 -0.007263 0.102701 27O 5s -0.017705 0.217772 0.161532 -0.155897 1.397886 -0.724971 27O 1pz -0.002914 -0.010801 -0.010573 0.014442 0.024711 0.032553 27O 1px -0.011065 -0.021257 0.054545 0.040142 -0.055331 -0.019722 27O 1py 0.022052 -0.019267 -0.019644 -0.033063 0.011049 0.000107 27O 2pz 0.016597 -0.031440 -0.035892 0.021991 -0.003710 0.060789 27O 2px -0.007471 -0.018565 0.030142 0.026112 -0.081837 0.024844 27O 2py -0.001017 -0.032468 -0.014837 -0.034214 0.041489 -0.028712 27O 3pz -0.076523 0.108370 0.086140 0.018523 0.215142 -0.158875 27O 3px -0.147492 -0.047336 0.232678 -0.093222 -0.504445 0.028460 27O 3py 0.156244 0.016895 -0.042761 -0.005381 -0.096131 0.189907 27O 1dz2 0.000712 0.000762 -0.001151 0.001670 0.001338 -0.000489 27O 1dxz 0.000650 0.000661 -0.000910 0.000069 0.000001 -0.001705 27O 1dyz -0.000639 -0.000353 0.000672 0.000824 0.000222 0.000019 27O 1dx2y2 -0.000936 -0.000852 0.001234 -0.001248 -0.003949 0.000817 27O 1dxy 0.000204 0.000695 0.001096 0.002029 0.000088 0.000904 27O 2dz2 -0.006527 -0.002206 -0.000551 -0.000337 -0.009454 0.009592 27O 2dxz -0.004281 0.003782 0.000718 -0.005880 -0.001389 -0.004443 27O 2dyz 0.002995 0.000087 0.004469 0.005044 -0.009426 -0.000127 27O 2dx2y2 0.009271 -0.006827 -0.001069 0.007437 0.003767 -0.005267 27O 2dxy -0.001054 0.004934 0.000560 0.005717 -0.008383 0.006345 27O 1f0 0.000061 0.000449 -0.000195 -0.000005 -0.000232 0.000127 27O 1f+1 0.000349 0.000366 -0.000264 0.000159 0.000999 -0.000656 27O 1f-1 0.000186 0.000034 0.000104 0.000086 -0.001046 0.000123 27O 1f+2 0.000573 -0.000350 -0.000437 0.000035 -0.000476 0.000304 27O 1f-2 0.000139 0.000236 -0.000869 -0.000106 0.000391 0.000883 27O 1f+3 0.000187 0.000051 0.000574 0.000284 0.000248 -0.001272 27O 1f-3 0.000040 0.000232 0.000491 0.000057 -0.001744 0.000438 28O 1s -0.002455 0.008111 -0.008851 -0.008192 0.001487 0.006994 28O 2s -0.005780 0.021106 -0.022905 -0.019894 0.003334 0.016189 28O 3s 0.003320 -0.053978 0.058470 0.029754 -0.000361 -0.010918 28O 4s 0.057160 0.053987 -0.053611 0.055017 -0.036969 -0.135003 28O 5s 0.112013 -0.863962 0.622946 0.477954 0.085193 -0.092104 28O 1pz -0.013134 0.027826 -0.007652 0.025698 0.043050 -0.007657 28O 1px -0.026111 -0.035836 0.043696 0.012177 -0.015670 0.020528 28O 1py -0.001932 0.009806 -0.003123 0.032679 -0.009952 -0.012473 28O 2pz -0.040494 0.027733 0.002431 0.007344 0.052550 0.012197 28O 2px -0.007314 -0.037805 0.034409 0.020822 -0.009606 0.002881 28O 2py 0.005785 0.017830 -0.004726 0.022142 -0.006656 -0.011999 28O 3pz -0.067369 0.191611 -0.090034 -0.089797 -0.014269 0.055892 28O 3px 0.085262 -0.217523 0.131926 0.297718 -0.135906 -0.106965 28O 3py -0.004109 0.073771 0.010936 0.085450 -0.080026 -0.017378 28O 1dz2 -0.000158 -0.000697 -0.000735 -0.000653 -0.001972 0.000183 28O 1dxz 0.001014 -0.001411 0.001218 0.003408 0.000180 -0.002247 28O 1dyz 0.000975 -0.000122 0.000854 -0.001373 -0.000173 0.001448 28O 1dx2y2 -0.001199 0.000724 -0.000982 -0.001802 0.001400 0.000689 28O 1dxy -0.001192 -0.001497 0.000427 0.000442 0.001042 0.000565 28O 2dz2 0.000682 -0.002996 0.002034 -0.000933 -0.004930 0.007650 28O 2dxz -0.012450 0.005222 0.007330 -0.002440 0.001827 0.010976 28O 2dyz -0.005034 -0.006440 0.004079 -0.000446 -0.003009 0.006598 28O 2dx2y2 0.010846 -0.003270 0.000551 0.004518 0.002027 -0.006277 28O 2dxy -0.001898 -0.001325 -0.001222 0.002832 -0.000891 0.000965 28O 1f0 0.000232 0.000016 -0.000108 -0.000082 0.000270 -0.000476 28O 1f+1 0.000053 -0.000846 0.000120 0.000700 -0.000309 0.000244 28O 1f-1 -0.000024 0.000628 -0.000632 -0.000137 0.000229 -0.000516 28O 1f+2 -0.000311 0.000535 0.000082 -0.000570 0.000209 0.000661 28O 1f-2 -0.000220 -0.000398 0.000566 0.000524 -0.000027 -0.000044 28O 1f+3 -0.000796 -0.000105 -0.000227 -0.000034 0.000104 0.000521 28O 1f-3 0.000131 0.000290 0.000258 0.000134 0.000129 -0.000094 29O 1s 0.000459 0.000133 -0.001432 -0.010471 -0.005519 -0.005479 29O 2s 0.001112 0.000642 -0.003459 -0.024348 -0.013308 -0.013320 29O 3s -0.001602 -0.005679 0.005384 0.020991 0.019847 0.021108 29O 4s -0.001645 0.024506 0.007052 0.181361 0.058097 0.060351 29O 5s -0.022994 -0.100722 0.051174 -0.094542 0.053102 0.018975 29O 1pz -0.011459 0.006154 0.007732 0.037859 -0.014977 0.006876 29O 1px -0.006648 -0.024055 0.018459 -0.088353 -0.014034 -0.035046 29O 1py -0.006168 0.006890 0.028647 -0.021319 0.000982 -0.040417 29O 2pz -0.011729 0.014651 -0.004476 0.031077 0.002465 -0.008711 29O 2px -0.010790 -0.022974 0.019988 -0.087115 -0.001302 -0.041403 29O 2py -0.006129 0.001473 0.041075 -0.030661 0.007403 -0.050445 29O 3pz 0.008341 0.088052 -0.016375 -0.000768 0.070571 -0.080473 29O 3px 0.018401 -0.000051 0.000946 -0.112716 -0.010406 -0.096647 29O 3py 0.002469 0.041517 -0.039415 0.005076 -0.042590 0.049401 29O 1dz2 0.000146 0.001393 -0.000589 0.000805 0.001298 -0.001233 29O 1dxz 0.000013 -0.000689 0.000156 0.002286 0.000041 0.003008 29O 1dyz 0.000365 0.001444 -0.001039 -0.000735 0.001785 -0.002171 29O 1dx2y2 -0.000055 -0.000506 0.000421 -0.002475 -0.001189 -0.001128 29O 1dxy -0.000194 0.000784 0.000624 -0.000710 0.000903 -0.001860 29O 2dz2 -0.000794 -0.000667 0.002314 0.007024 -0.008231 0.000905 29O 2dxz 0.001274 0.002131 -0.004502 0.002708 0.010267 0.001980 29O 2dyz -0.001099 -0.003443 0.001933 0.003252 -0.009541 0.004820 29O 2dx2y2 -0.000059 0.002041 -0.001538 -0.007199 -0.000157 -0.005012 29O 2dxy -0.000514 -0.002594 0.004166 0.000267 0.000494 0.002181 29O 1f0 0.000123 0.000328 -0.000309 -0.000436 0.000297 -0.000043 29O 1f+1 -0.000054 0.000078 -0.000003 -0.000288 0.000460 -0.000379 29O 1f-1 0.000150 0.000281 -0.000201 -0.001155 0.000980 -0.000324 29O 1f+2 -0.000120 -0.000159 0.000329 0.000583 -0.000405 0.000088 29O 1f-2 -0.000082 -0.000623 0.000658 -0.000367 -0.001151 0.000463 29O 1f+3 0.000108 0.000167 -0.000490 0.000669 0.000620 0.000216 29O 1f-3 0.000064 0.000130 -0.000221 -0.000639 0.000385 -0.000695 30O 1s 0.002107 -0.004404 0.014027 -0.002908 -0.011954 0.003132 30O 2s 0.004906 -0.010928 0.035858 -0.006965 -0.028756 0.006398 30O 3s 0.000264 0.019553 -0.083178 0.009203 0.037856 0.008671 30O 4s -0.064636 0.020509 0.043351 0.020656 0.121245 -0.129361 30O 5s -0.276226 0.202909 -1.127197 0.139311 0.659900 0.533067 30O 1pz -0.009832 0.012083 0.019243 0.031516 -0.032429 -0.031712 30O 1px 0.038003 0.018446 -0.038615 -0.001283 0.042184 -0.008422 30O 1py -0.014698 0.017430 -0.032836 -0.058165 0.034308 0.045068 30O 2pz 0.013704 0.011406 0.034601 0.019377 -0.037941 -0.041181 30O 2px 0.002777 0.029637 -0.036527 -0.002653 0.057327 -0.002162 30O 2py -0.054172 0.013466 -0.038035 -0.052173 0.060933 0.032833 30O 3pz 0.094156 -0.032987 0.125557 0.018267 -0.228620 -0.055466 30O 3px -0.115581 0.093347 -0.268741 0.094985 0.467927 -0.048224 30O 3py -0.049127 0.140787 -0.137267 -0.014902 0.111769 0.150557 30O 1dz2 -0.000598 0.000274 0.001106 0.000054 0.001912 -0.001788 30O 1dxz -0.001111 0.000534 -0.002054 0.001055 0.002704 -0.000629 30O 1dyz -0.000229 0.000507 -0.000808 0.002241 0.001302 -0.001365 30O 1dx2y2 0.001188 -0.000935 0.001244 0.000942 -0.001702 0.000283 30O 1dxy 0.000451 -0.001216 0.001804 -0.001789 -0.001370 0.000455 30O 2dz2 0.003199 -0.003482 0.005403 -0.000191 -0.005213 -0.000097 30O 2dxz 0.014339 -0.003033 0.001159 0.000739 -0.010674 -0.002728 30O 2dyz 0.004347 -0.002114 0.008698 0.006541 -0.012355 -0.012187 30O 2dx2y2 -0.010559 0.000966 0.000962 0.003186 0.005696 -0.005362 30O 2dxy -0.019707 0.004877 0.000508 -0.003128 0.008126 0.001921 30O 1f0 -0.000516 0.000604 -0.000584 -0.000108 0.000870 0.000141 30O 1f+1 0.000125 0.000239 0.000156 0.000244 -0.000238 0.000175 30O 1f-1 0.000021 0.000013 -0.000171 -0.000020 0.000607 0.000406 30O 1f+2 0.000465 -0.000007 -0.000750 -0.000052 0.000203 0.000666 30O 1f-2 0.000361 -0.000324 0.001100 -0.000170 -0.001343 -0.000497 30O 1f+3 0.000248 0.000008 -0.000511 0.000307 0.000403 0.000291 30O 1f-3 0.000875 0.000038 0.000026 -0.000062 -0.000080 0.000284 31O 1s -0.001245 -0.004720 0.013970 -0.002954 -0.011484 -0.004918 31O 2s -0.002714 -0.011660 0.035712 -0.007058 -0.027820 -0.010712 31O 3s -0.005108 0.019751 -0.082738 0.009087 0.039511 -0.002680 31O 4s 0.065682 0.028730 0.042232 0.022547 0.099676 0.145970 31O 5s 0.215988 0.222717 -1.130101 0.128724 0.757963 -0.426342 31O 1pz -0.009960 -0.013435 -0.019197 -0.031951 0.037133 -0.025097 31O 1px 0.041210 -0.015526 0.037577 0.000864 -0.040160 -0.014866 31O 1py -0.011928 -0.018840 0.033671 0.058811 -0.040909 0.038584 31O 2pz 0.013561 -0.011317 -0.034861 -0.020319 0.044823 -0.033501 31O 2px 0.006576 -0.029921 0.036634 0.002563 -0.056947 -0.010345 31O 2py -0.051854 -0.018487 0.039541 0.052788 -0.065791 0.022485 31O 3pz 0.083693 0.041550 -0.129171 -0.018433 0.237845 -0.021214 31O 3px -0.098757 -0.104115 0.268497 -0.095125 -0.461338 -0.118938 31O 3py -0.029502 -0.145108 0.140741 0.017664 -0.138908 0.134400 31O 1dz2 0.000613 0.000368 0.001114 0.000076 0.001634 0.002047 31O 1dxz 0.000982 0.000613 -0.002072 0.001073 0.002579 0.001013 31O 1dyz 0.000191 0.000535 -0.000792 0.002255 0.001107 0.001506 31O 1dx2y2 -0.001081 -0.001032 0.001253 0.000941 -0.001663 -0.000554 31O 1dxy -0.000273 -0.001283 0.001798 -0.001791 -0.001326 -0.000617 31O 2dz2 -0.002708 -0.003858 0.005480 -0.000159 -0.005248 -0.000655 31O 2dxz -0.014044 -0.004405 0.001533 0.000945 -0.011521 0.001249 31O 2dyz -0.003859 -0.002428 0.008868 0.006735 -0.014387 0.010024 31O 2dx2y2 0.010557 0.001891 0.000685 0.003232 0.005021 0.006079 31O 2dxy 0.019392 0.006623 -0.000088 -0.003287 0.008802 -0.000838 31O 1f0 -0.000434 -0.000661 0.000599 0.000114 -0.000906 0.000020 31O 1f+1 0.000137 -0.000231 -0.000166 -0.000239 0.000198 0.000218 31O 1f-1 0.000040 -0.000007 0.000175 0.000024 -0.000663 0.000299 31O 1f+2 0.000505 0.000064 0.000750 0.000053 -0.000280 0.000618 31O 1f-2 0.000298 0.000350 -0.001101 0.000158 0.001439 -0.000284 31O 1f+3 0.000263 0.000011 0.000499 -0.000303 -0.000448 0.000226 31O 1f-3 0.000890 0.000035 -0.000045 0.000060 0.000057 0.000282 32O 1s -0.000533 0.000115 -0.001438 -0.010363 -0.006402 0.004686 32O 2s -0.001304 0.000593 -0.003470 -0.024081 -0.015451 0.011377 32O 3s 0.002084 -0.005505 0.005347 0.020497 0.023218 -0.017724 32O 4s 0.000897 0.023880 0.007090 0.180515 0.067796 -0.054131 32O 5s 0.030717 -0.098000 0.052680 -0.095395 0.055452 -0.005977 32O 1pz -0.010747 -0.007262 -0.006501 -0.037654 0.013320 0.010665 32O 1px -0.007920 0.022825 -0.018336 0.087972 0.019415 -0.034073 32O 1py -0.007067 -0.008164 -0.029172 0.020778 0.004798 -0.040223 32O 2pz -0.009733 -0.015984 0.005984 -0.031463 -0.000972 -0.006707 32O 2px -0.011933 0.021301 -0.019922 0.086640 0.007498 -0.042150 32O 2py -0.007718 -0.003379 -0.041333 0.030273 -0.000856 -0.051872 32O 3pz 0.014171 -0.087149 0.016572 -0.000143 -0.055697 -0.088825 32O 3px 0.018382 0.002048 -0.002132 0.109755 0.031760 -0.093459 32O 3py 0.007233 -0.042353 0.041288 -0.003235 0.032791 0.052860 32O 1dz2 -0.000236 0.001333 -0.000575 0.000870 0.001016 0.001250 32O 1dxz 0.000040 -0.000744 0.000153 0.002231 0.000542 -0.003019 32O 1dyz -0.000501 0.001459 -0.001052 -0.000695 0.001367 0.002419 32O 1dx2y2 0.000108 -0.000531 0.000452 -0.002439 -0.001382 0.000902 32O 1dxy 0.000170 0.000784 0.000646 -0.000667 0.000553 0.001885 32O 2dz2 0.000830 -0.000377 0.002023 0.006824 -0.007309 -0.001890 32O 2dxz -0.001583 0.002026 -0.004564 0.002612 0.010442 -0.000354 32O 2dyz 0.001396 -0.003354 0.001947 0.003274 -0.008803 -0.006112 32O 2dx2y2 -0.000218 0.002235 -0.001696 -0.007300 -0.000502 0.005187 32O 2dxy 0.000677 -0.002298 0.003975 0.000084 0.001323 -0.001748 32O 1f0 0.000158 -0.000316 0.000316 0.000383 -0.000251 -0.000073 32O 1f+1 -0.000051 -0.000094 0.000003 0.000244 -0.000398 -0.000453 32O 1f-1 0.000189 -0.000284 0.000199 0.001158 -0.000901 -0.000478 32O 1f+2 -0.000147 0.000146 -0.000323 -0.000609 0.000404 0.000145 32O 1f-2 -0.000147 0.000605 -0.000665 0.000395 0.001048 0.000582 32O 1f+3 0.000130 -0.000132 0.000471 -0.000674 -0.000611 0.000167 32O 1f-3 0.000089 -0.000135 0.000232 0.000626 -0.000284 -0.000741 33O 1s 0.001568 0.008345 -0.008935 -0.008298 0.002555 -0.006714 33O 2s 0.003482 0.021656 -0.023094 -0.020140 0.005810 -0.015580 33O 3s 0.002475 -0.054339 0.058435 0.029949 -0.002103 0.011115 33O 4s -0.062204 0.048611 -0.050862 0.056954 -0.056968 0.126883 33O 5s -0.035805 -0.865840 0.624021 0.477097 0.073177 0.114869 33O 1pz -0.010886 -0.029227 0.008059 -0.026046 -0.040455 -0.012355 33O 1px -0.030202 0.034297 -0.042266 -0.011951 0.012567 0.022096 33O 1py -0.001586 -0.009941 0.002677 -0.032907 0.011522 -0.009943 33O 2pz -0.039144 -0.030682 -0.000590 -0.007347 -0.053214 0.005377 33O 2px -0.011234 0.037526 -0.033499 -0.020618 0.008972 0.003487 33O 2py 0.006168 -0.016860 0.003683 -0.022445 0.007485 -0.009890 33O 3pz -0.047317 -0.196781 0.089903 0.088068 0.011973 0.063629 33O 3px 0.065266 0.223994 -0.134003 -0.298602 0.150845 -0.086485 33O 3py 0.003583 -0.076421 -0.010203 -0.085708 0.086811 -0.001717 33O 1dz2 0.000194 -0.000698 -0.000739 -0.000657 -0.001915 -0.000436 33O 1dxz -0.000860 -0.001469 0.001244 0.003434 -0.000191 0.002225 33O 1dyz -0.000930 -0.000215 0.000875 -0.001393 0.000049 -0.001443 33O 1dx2y2 0.001088 0.000840 -0.001013 -0.001815 0.001519 -0.000458 33O 1dxy 0.001325 -0.001419 0.000383 0.000436 0.001137 -0.000372 33O 2dz2 -0.000452 -0.003018 0.001937 -0.001061 -0.003779 -0.008200 33O 2dxz 0.012226 0.006210 0.006815 -0.002505 0.003157 -0.010825 33O 2dyz 0.005521 -0.006089 0.003898 -0.000528 -0.001987 -0.006827 33O 2dx2y2 -0.010582 -0.004044 0.000836 0.004526 0.001197 0.006738 33O 2dxy 0.001954 -0.001198 -0.001218 0.002825 -0.000674 -0.001156 33O 1f0 0.000237 0.000014 0.000093 0.000074 -0.000197 -0.000505 33O 1f+1 -0.000014 0.000849 -0.000117 -0.000693 0.000262 0.000283 33O 1f-1 0.000060 -0.000641 0.000627 0.000128 -0.000134 -0.000529 33O 1f+2 -0.000281 -0.000554 -0.000077 0.000572 -0.000310 0.000630 33O 1f-2 -0.000253 0.000378 -0.000558 -0.000525 0.000041 -0.000046 33O 1f+3 -0.000791 0.000046 0.000256 0.000039 -0.000176 0.000502 33O 1f-3 0.000149 -0.000283 -0.000262 -0.000136 -0.000102 -0.000105 34O 1s 0.004583 -0.005805 0.003685 -0.001820 -0.014539 -0.003211 34O 2s 0.010975 -0.014638 0.008489 -0.003623 -0.036478 -0.009138 34O 3s -0.014157 0.031889 -0.006125 -0.008064 0.073500 0.033066 34O 4s -0.063271 -0.004796 -0.075897 0.083920 0.009013 -0.103056 34O 5s 0.004488 0.222149 0.161654 -0.141893 1.257111 0.930292 34O 1pz -0.003175 0.010919 0.010680 -0.013818 -0.030257 0.028911 34O 1px -0.015317 0.020751 -0.054413 -0.040149 0.057370 -0.009928 34O 1py 0.021572 0.021787 0.018791 0.032861 -0.010513 -0.002658 34O 2pz 0.015561 0.034310 0.035621 -0.021100 -0.006134 0.060802 34O 2px -0.010219 0.018355 -0.029742 -0.025508 0.076529 0.037906 34O 2py -0.003673 0.033463 0.014124 0.033737 -0.036980 -0.036104 34O 3pz -0.071893 -0.119295 -0.085765 -0.019813 -0.191756 -0.187216 34O 3px -0.161096 0.032010 -0.228010 0.096951 0.485012 0.105274 34O 3py 0.164667 -0.002783 0.041620 0.006806 0.073643 0.202310 34O 1dz2 -0.000781 0.000676 -0.001114 0.001688 0.001223 0.000656 34O 1dxz -0.000712 0.000635 -0.000851 0.000093 -0.000249 0.001696 34O 1dyz 0.000703 -0.000296 0.000659 0.000819 0.000238 -0.000003 34O 1dx2y2 0.001057 -0.000756 0.001196 -0.001275 -0.003750 -0.001370 34O 1dxy -0.000202 0.000699 0.001084 0.002007 0.000225 -0.000930 34O 2dz2 0.006765 -0.001879 -0.000819 -0.000519 -0.007613 -0.010919 34O 2dxz 0.004060 0.004311 0.000551 -0.005850 -0.001958 0.004164 34O 2dyz -0.002824 -0.000182 0.004650 0.005034 -0.009378 -0.001479 34O 2dx2y2 -0.008787 -0.007958 -0.000741 0.007629 0.002459 0.005873 34O 2dxy 0.000742 0.005075 0.000572 0.005615 -0.007190 -0.007758 34O 1f0 0.000110 -0.000444 0.000197 0.000005 0.000208 0.000167 34O 1f+1 0.000390 -0.000348 0.000248 -0.000171 -0.000873 -0.000794 34O 1f-1 0.000177 -0.000012 -0.000116 -0.000082 0.001007 0.000281 34O 1f+2 0.000574 0.000416 0.000417 -0.000034 0.000438 0.000371 34O 1f-2 0.000204 -0.000215 0.000872 0.000115 -0.000518 0.000800 34O 1f+3 0.000157 -0.000034 -0.000590 -0.000307 -0.000034 -0.001285 34O 1f-3 0.000043 -0.000233 -0.000494 -0.000045 0.001635 0.000712 35O 1s -0.001825 0.000581 -0.002849 -0.010507 0.011921 0.006367 35O 2s -0.004203 0.001032 -0.007088 -0.025474 0.030629 0.015141 35O 3s 0.001415 0.004166 0.013109 0.037135 -0.072701 -0.017799 35O 4s 0.056006 -0.038437 0.020031 0.081585 0.051756 -0.082446 35O 5s -0.049562 0.114330 0.011661 0.575710 -1.120624 -0.155067 35O 1pz 0.032061 -0.013302 0.011630 -0.027138 -0.018160 -0.004975 35O 1px 0.007639 -0.045397 0.050838 -0.000965 -0.032517 -0.015938 35O 1py -0.008806 -0.004387 -0.004052 -0.014042 -0.033468 -0.022662 35O 2pz 0.034322 -0.016323 -0.017503 -0.018041 -0.033617 0.030152 35O 2px 0.027829 -0.041670 0.037252 0.021699 -0.054255 -0.012930 35O 2py -0.035812 0.032766 -0.011527 0.003194 -0.062385 -0.000985 35O 3pz 0.042996 0.019280 0.168974 -0.115520 0.125415 -0.241304 35O 3px 0.031000 -0.095529 0.182555 0.338946 -0.211723 -0.232167 35O 3py 0.147276 -0.168224 0.061322 0.043147 0.028438 -0.237758 35O 1dz2 0.000285 -0.000078 0.001508 0.001491 -0.000492 -0.000786 35O 1dxz 0.000542 -0.000829 0.000807 -0.000742 -0.000581 0.001426 35O 1dyz 0.000752 -0.000901 0.000254 -0.001296 -0.000262 0.000217 35O 1dx2y2 -0.000102 0.000529 -0.000266 -0.002565 0.001152 0.001368 35O 1dxy -0.000858 0.000395 -0.000324 -0.003033 0.000598 0.002564 35O 2dz2 -0.012988 0.002864 -0.002051 -0.004254 -0.000551 0.006013 35O 2dxz 0.000313 -0.000158 0.001265 -0.004164 -0.002892 0.001862 35O 2dyz 0.001994 -0.006358 -0.000142 -0.001638 -0.005508 0.004930 35O 2dx2y2 0.007397 -0.001083 0.005672 0.008690 -0.004183 -0.008255 35O 2dxy 0.000962 0.000790 0.002139 0.005670 -0.011106 -0.004018 35O 1f0 -0.000069 0.000321 0.000186 -0.000343 0.000303 0.000031 35O 1f+1 -0.000392 -0.000172 0.000154 -0.000402 0.000509 0.000160 35O 1f-1 0.000445 -0.000480 0.000736 -0.000433 0.000461 -0.000195 35O 1f+2 -0.000344 0.000346 -0.000277 0.000283 -0.000390 0.000203 35O 1f-2 0.000202 -0.000846 0.000623 0.000292 -0.000127 -0.000378 35O 1f+3 -0.000439 0.000337 -0.000117 -0.000098 0.000012 0.000452 35O 1f-3 0.000118 0.000019 -0.000527 -0.000814 0.000846 0.000286 162 163 164 165 166 167 0.26136 0.26304 0.27242 0.27836 0.29049 0.30329 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s 0.000810 -0.001606 -0.000209 0.002268 -0.000713 -0.001261 0Rh 2s -0.003728 0.006004 0.000819 -0.008540 0.002894 0.004300 0Rh 3s 0.002398 -0.005626 -0.000708 0.007905 -0.002357 -0.004676 0Rh 4s 0.016727 -0.026465 -0.003629 0.037649 -0.012851 -0.018769 0Rh 5s -0.019274 0.021604 0.003226 -0.030247 0.012009 0.011181 0Rh 6s -0.009124 0.044976 0.005275 -0.067922 0.017889 0.048194 0Rh 7s -0.294366 0.685264 -0.002773 0.385997 0.056786 -0.427999 0Rh 8s 1.904285 -1.872722 -0.023308 -1.562597 -1.096001 2.534120 0Rh 1pz -0.001725 0.007522 0.000192 0.002491 -0.013026 0.000870 0Rh 1px -0.005039 -0.008550 0.000283 -0.000559 -0.000834 -0.003719 0Rh 1py -0.004402 -0.004263 -0.000046 -0.003860 -0.002449 0.014320 0Rh 2pz 0.005857 -0.025952 -0.000701 -0.008562 0.044973 -0.003006 0Rh 2px 0.017449 0.029630 -0.000984 0.001840 0.002913 0.012862 0Rh 2py 0.015195 0.014716 0.000168 0.013251 0.008417 -0.049389 0Rh 3pz -0.003803 0.025431 0.001428 0.007643 -0.044082 0.003019 0Rh 3px -0.018570 -0.031505 0.001097 -0.000039 -0.003330 -0.013086 0Rh 3py -0.014896 -0.014513 -0.000323 -0.011590 -0.007493 0.047205 0Rh 4pz -0.013477 0.023316 -0.002416 0.011184 -0.041915 0.002334 0Rh 4px -0.008197 -0.018316 0.000354 -0.009373 -0.001583 -0.009275 0Rh 4py -0.013999 -0.013248 0.000473 -0.017780 -0.011049 0.051491 0Rh 5pz 0.013090 0.038110 0.008682 0.001645 -0.057844 0.005986 0Rh 5px -0.053800 -0.043527 0.002786 0.022130 -0.002293 -0.029513 0Rh 5py -0.023839 -0.017783 -0.001652 -0.003669 -0.003279 0.049564 0Rh 6pz -0.102815 -0.668920 -0.205335 -0.114999 1.067647 0.066525 0Rh 6px 0.820262 0.306946 -0.076934 -0.153764 0.100720 0.292535 0Rh 6py 0.576507 0.165850 0.036653 0.175673 0.217670 -0.964636 0Rh 1dz2 -0.009128 0.015450 0.019541 0.003769 -0.006932 -0.004056 0Rh 1dxz -0.005736 -0.004899 0.007903 -0.010284 0.008415 -0.006330 0Rh 1dyz -0.012110 -0.000092 -0.013924 -0.013152 -0.006546 -0.006007 0Rh 1dx2y2 0.006370 -0.012919 0.011877 -0.006516 -0.000013 0.002999 0Rh 1dxy 0.011789 -0.002000 -0.000356 -0.013478 -0.012071 0.001997 0Rh 2dz2 0.000111 -0.001007 -0.001309 0.000767 0.000352 0.000026 0Rh 2dxz 0.000155 0.000149 -0.001004 0.000400 -0.000003 -0.000187 0Rh 2dyz 0.000113 -0.000068 0.001317 0.000886 0.000536 0.000513 0Rh 2dx2y2 -0.000253 0.000858 -0.001059 -0.000098 0.000097 0.000760 0Rh 2dxy 0.000150 0.000256 0.000126 0.000539 0.000563 0.000305 0Rh 3dz2 0.015755 -0.023376 -0.029741 -0.009992 0.010919 0.007224 0Rh 3dxz 0.009565 0.008266 -0.010118 0.016748 -0.015042 0.012205 0Rh 3dyz 0.021027 0.000512 0.019488 0.019698 0.009435 0.008630 0Rh 3dx2y2 -0.010301 0.019385 -0.017063 0.012166 -0.000380 -0.008621 0Rh 3dxy -0.021604 0.002552 0.000076 0.021931 0.019273 -0.004905 0Rh 4dz2 0.013473 -0.033038 -0.041716 0.005852 0.014522 0.004891 0Rh 4dxz 0.008858 0.008314 -0.022634 0.019778 -0.011369 0.005021 0Rh 4dyz 0.018123 -0.001409 0.036427 0.030894 0.016838 0.015136 0Rh 4dx2y2 -0.010712 0.027417 -0.028620 0.006311 0.001170 0.007535 0Rh 4dxy -0.013528 0.005621 0.002577 0.024669 0.023503 0.002841 0Rh 5dz2 0.039301 -0.013645 -0.016613 -0.067313 -0.007804 0.032081 0Rh 5dxz 0.037465 0.007869 0.019807 -0.003751 -0.028829 0.047541 0Rh 5dyz 0.037563 0.008977 -0.042235 -0.014218 -0.015931 -0.002821 0Rh 5dx2y2 -0.042794 0.019000 0.003388 0.050255 0.005854 -0.078991 0Rh 5dxy -0.060950 -0.000845 -0.015516 0.031730 0.015976 -0.055458 0Rh 1f0 -0.001810 -0.001399 0.003220 0.001519 -0.001851 0.002669 0Rh 1f+1 -0.000635 0.000546 -0.002765 0.002811 -0.007953 0.001663 0Rh 1f-1 -0.001272 0.001037 -0.001292 -0.000174 -0.005582 0.005421 0Rh 1f+2 0.004679 -0.002722 -0.001912 -0.002739 0.007094 0.001695 0Rh 1f-2 -0.000864 0.001352 0.001194 -0.004261 0.000562 0.007139 0Rh 1f+3 0.003633 0.001034 0.003965 0.001529 -0.004703 -0.003485 0Rh 1f-3 -0.002932 -0.000413 0.001288 -0.000035 -0.001533 0.009160 1Rh 1s -0.000635 -0.001665 -0.000184 -0.002271 0.000723 0.001229 1Rh 2s 0.003073 0.006294 0.000709 0.008555 -0.002931 -0.004193 1Rh 3s -0.001789 -0.005788 -0.000630 -0.007915 0.002391 0.004554 1Rh 4s -0.013836 -0.027775 -0.003139 -0.037714 0.013013 0.018301 1Rh 5s 0.016890 0.023246 0.002703 0.030315 -0.012141 -0.010918 1Rh 6s 0.004281 0.045245 0.004847 0.067991 -0.018167 -0.046908 1Rh 7s 0.220255 0.716221 -0.008360 -0.401197 -0.055747 0.426139 1Rh 8s -1.694274 -2.096166 0.026825 1.598844 1.096127 -2.542301 1Rh 1pz -0.000863 -0.007761 -0.000295 0.002584 -0.012913 0.001017 1Rh 1px -0.005951 0.007965 -0.000156 -0.000634 -0.000847 -0.003675 1Rh 1py -0.004834 0.003640 -0.000011 -0.004006 -0.002483 0.014267 1Rh 2pz 0.002885 0.026763 0.001058 -0.008879 0.044579 -0.003520 1Rh 2px 0.020608 -0.027605 0.000547 0.002102 0.002953 0.012707 1Rh 2py 0.016683 -0.012563 0.000028 0.013757 0.008536 -0.049207 1Rh 3pz -0.000945 -0.025963 -0.001816 0.007932 -0.043684 0.003593 1Rh 3px -0.021884 0.029379 -0.000678 -0.000338 -0.003295 -0.012889 1Rh 3py -0.016366 0.012406 0.000167 -0.012129 -0.007592 0.046989 1Rh 4pz -0.010608 -0.025145 0.002243 0.011550 -0.041600 0.002546 1Rh 4px -0.010346 0.017243 0.000041 -0.009455 -0.001918 -0.009296 1Rh 4py -0.015334 0.011240 -0.000809 -0.018068 -0.011226 0.051472 1Rh 5pz 0.017126 -0.036448 -0.009531 0.001967 -0.057176 0.007163 1Rh 5px -0.057853 0.037658 -0.001911 0.021556 -0.001599 -0.029005 1Rh 5py -0.025549 0.014553 0.001778 -0.004897 -0.003295 0.048916 1Rh 6pz -0.177597 0.654948 0.221225 -0.120514 1.051808 0.030749 1Rh 6px 0.847103 -0.222531 0.062700 -0.150655 0.094929 0.279347 1Rh 6py 0.587559 -0.089330 -0.030749 0.192249 0.217893 -0.954260 1Rh 1dz2 0.007505 0.016389 0.019381 -0.003914 0.006684 0.003803 1Rh 1dxz 0.006441 -0.003980 0.007857 0.010290 -0.008295 0.007089 1Rh 1dyz 0.011692 0.001541 -0.013963 0.013355 0.006648 0.006134 1Rh 1dx2y2 -0.004783 -0.013353 0.012071 0.006520 0.000085 -0.002702 1Rh 1dxy -0.011406 -0.003265 0.000012 0.013465 0.012048 -0.002103 1Rh 2dz2 -0.000005 -0.001019 -0.001315 -0.000762 -0.000331 -0.000040 1Rh 2dxz -0.000185 0.000129 -0.001017 -0.000402 0.000011 0.000167 1Rh 2dyz -0.000072 -0.000098 0.001325 -0.000908 -0.000549 -0.000519 1Rh 2dx2y2 0.000148 0.000875 -0.001071 0.000106 -0.000104 -0.000772 1Rh 2dxy -0.000177 0.000230 0.000112 -0.000539 -0.000557 -0.000304 1Rh 3dz2 -0.013303 -0.024992 -0.029431 0.010231 -0.010561 -0.006714 1Rh 3dxz -0.010715 0.006710 -0.009987 -0.016750 0.014790 -0.013489 1Rh 3dyz -0.020462 -0.002264 0.019527 -0.019970 -0.009566 -0.008828 1Rh 3dx2y2 0.007912 0.020087 -0.017360 -0.012203 0.000281 0.008133 1Rh 3dxy 0.021029 0.004912 -0.000522 -0.021908 -0.019254 0.005089 1Rh 4dz2 -0.009978 -0.034446 -0.041582 -0.005630 -0.013923 -0.004733 1Rh 4dxz -0.010165 0.006926 -0.022740 -0.019818 0.011326 -0.006294 1Rh 4dyz -0.016902 -0.004055 0.036571 -0.031479 -0.017146 -0.015429 1Rh 4dx2y2 0.007364 0.028105 -0.029006 -0.006208 -0.001358 -0.008075 1Rh 4dxy 0.012723 0.006927 0.001917 -0.024684 -0.023414 -0.002706 1Rh 5dz2 -0.038106 -0.017569 -0.015508 0.068367 0.007625 -0.030168 1Rh 5dxz -0.038126 0.002602 0.021025 0.004136 0.027747 -0.049291 1Rh 5dyz -0.039659 0.004822 -0.042471 0.015484 0.016405 0.003374 1Rh 5dx2y2 0.040202 0.023220 0.002637 -0.051099 -0.005672 0.078436 1Rh 5dxy 0.060062 0.006392 -0.016442 -0.031185 -0.015943 0.056205 1Rh 1f0 -0.002001 0.001200 -0.003204 0.001491 -0.001826 0.002635 1Rh 1f+1 -0.000524 -0.000642 0.002724 0.002782 -0.007995 0.001826 1Rh 1f-1 -0.001120 -0.001223 0.001227 -0.000195 -0.005568 0.005521 1Rh 1f+2 0.004350 0.003272 0.001894 -0.002793 0.007028 0.001509 1Rh 1f-2 -0.000642 -0.001509 -0.001246 -0.004258 0.000587 0.007049 1Rh 1f+3 0.003689 -0.000587 -0.004031 0.001506 -0.004623 -0.003410 1Rh 1f-3 -0.002972 0.000031 -0.001323 0.000030 -0.001532 0.009173 2C 1s 0.001835 0.008874 -0.001325 -0.000917 0.004818 0.002654 2C 2s 0.004111 0.019364 -0.002944 -0.001966 0.009750 0.006248 2C 3s -0.016757 -0.017453 0.007157 0.010338 0.006220 -0.019536 2C 4s 0.048057 -0.209157 0.019087 -0.036421 -0.203031 0.005805 2C 5s -0.777293 1.156554 -0.988147 -0.123087 -0.066131 1.408799 2C 1pz -0.010469 -0.044898 -0.012949 0.033849 -0.033903 -0.012630 2C 1px -0.008533 0.019677 -0.013896 -0.025582 -0.015484 0.010287 2C 1py -0.017837 -0.021947 0.047145 -0.014335 -0.011399 0.010964 2C 2pz 0.032665 -0.003013 -0.024094 0.007041 0.009908 0.036906 2C 2px -0.034088 0.018082 0.001849 -0.042331 -0.043741 0.012757 2C 2py 0.010387 -0.001764 0.012186 -0.060555 -0.022436 0.017772 2C 3pz -0.669035 0.591306 0.196471 -0.460767 -0.133198 0.466452 2C 3px 0.461268 -1.349721 0.371089 1.374710 -0.257262 1.229356 2C 3py 0.260811 0.195817 -0.822013 0.388468 -0.235486 0.025182 2C 1dz2 0.005317 -0.002803 -0.000253 0.003257 0.000933 0.003010 2C 1dxz -0.010945 -0.007031 0.003801 -0.000590 -0.004251 -0.003676 2C 1dyz 0.002110 0.004584 -0.000631 -0.006513 0.003083 -0.000737 2C 1dx2y2 -0.000344 0.010999 0.000175 -0.007492 0.002309 -0.002164 2C 1dxy -0.002689 0.001017 -0.007476 -0.002901 -0.002292 -0.008185 2C 2dz2 0.027344 0.013452 -0.024185 0.010625 0.027920 -0.003215 2C 2dxz 0.021451 0.074654 -0.048196 -0.061470 -0.010389 -0.032123 2C 2dyz 0.021165 0.002002 0.010747 0.003088 0.031003 0.017406 2C 2dx2y2 -0.004611 -0.054830 -0.006871 0.036746 -0.028819 -0.014563 2C 2dxy -0.011408 0.012928 0.031753 -0.039168 0.002245 0.007633 2C 1f0 0.001799 -0.004924 -0.004210 0.005809 -0.001878 -0.002241 2C 1f+1 -0.000990 0.000285 0.003773 -0.000973 0.000459 0.001564 2C 1f-1 0.002899 0.003877 0.000281 -0.003747 0.002763 0.000579 2C 1f+2 0.000437 0.005423 -0.001148 -0.003560 0.000663 -0.001765 2C 1f-2 0.001867 0.001099 -0.003708 -0.003332 -0.003810 -0.001428 2C 1f+3 0.002342 0.003220 -0.004511 -0.000858 0.000967 -0.003156 2C 1f-3 -0.001382 -0.003936 0.003020 0.004152 0.001058 0.001553 3C 1s -0.004343 0.002595 0.000878 -0.001559 0.000513 0.000492 3C 2s -0.008614 0.005479 0.001908 -0.003051 0.000294 0.001380 3C 3s -0.009441 0.000320 -0.008890 0.000067 0.015635 -0.014770 3C 4s 0.197226 -0.072991 0.008681 0.043018 -0.101423 0.080187 3C 5s -0.673104 0.132924 1.062448 0.257462 0.170001 -1.650118 3C 1pz -0.009076 0.006696 -0.048106 0.012979 -0.010882 -0.004677 3C 1px -0.001510 0.021979 -0.015595 -0.003710 0.005031 0.015865 3C 1py -0.030420 -0.020963 -0.014092 -0.005094 0.002102 0.044101 3C 2pz -0.032205 0.016857 0.001645 -0.028008 0.014588 -0.020437 3C 2px 0.001380 0.043603 -0.012537 0.049402 0.040431 0.029022 3C 2py 0.007520 -0.014457 -0.024746 0.019025 0.011033 0.039720 3C 3pz -0.221132 0.699419 0.805338 0.009086 0.744783 -0.191634 3C 3px 0.878390 -0.724789 0.327543 -0.486979 -1.232713 -0.720050 3C 3py 0.216970 -0.195079 0.309745 -0.419581 0.191578 0.246239 3C 1dz2 0.000411 -0.002420 -0.004627 -0.001057 -0.005467 0.001763 3C 1dxz 0.002444 -0.004110 0.001747 0.005174 0.001569 -0.004817 3C 1dyz 0.001676 -0.000517 -0.005075 0.006138 -0.001307 -0.004603 3C 1dx2y2 -0.003435 0.007165 0.003422 0.002527 0.007632 0.001322 3C 1dxy 0.004279 -0.000583 0.003451 -0.007600 -0.007053 0.000483 3C 2dz2 0.005535 -0.004046 0.002545 -0.005191 -0.009665 -0.008028 3C 2dxz -0.026534 0.022471 -0.009201 -0.006223 0.016523 0.046521 3C 2dyz 0.021035 0.039946 0.034664 -0.000361 0.031954 -0.020362 3C 2dx2y2 0.011607 -0.003226 -0.051356 0.032284 -0.018256 0.003905 3C 2dxy 0.003441 -0.019013 -0.025708 -0.001019 -0.036472 -0.028126 3C 1f0 0.000246 -0.002040 -0.006131 0.002846 -0.004045 -0.000626 3C 1f+1 0.001337 -0.003048 -0.001940 0.002615 -0.002817 -0.001988 3C 1f-1 0.003802 0.001416 0.004671 -0.000249 0.002426 -0.002557 3C 1f+2 -0.000947 0.000923 -0.000852 0.001577 0.001568 -0.001088 3C 1f-2 -0.002231 0.001388 -0.000511 -0.001992 0.001121 -0.000629 3C 1f+3 -0.001899 0.000465 -0.003929 0.000124 -0.000310 0.005261 3C 1f-3 0.000249 0.003507 0.001294 -0.001004 0.002179 0.002344 4C 1s 0.004132 -0.015123 0.005605 -0.004008 0.000998 -0.010799 4C 2s 0.007708 -0.035247 0.012495 -0.007820 0.000174 -0.022567 4C 3s 0.046839 0.058551 0.000192 -0.024174 0.064512 -0.006891 4C 4s -0.514015 0.132380 -0.211544 0.384205 -0.503995 0.529674 4C 5s 0.902342 1.423881 0.231375 -0.265730 1.391230 -1.484861 4C 1pz -0.037033 0.036086 0.030365 0.010518 0.013709 0.052621 4C 1px -0.005699 0.029680 0.021984 -0.028317 -0.026683 0.006262 4C 1py -0.001990 0.015829 -0.066737 0.037853 -0.063963 -0.026160 4C 2pz 0.052800 0.165602 0.026564 0.028847 0.034921 0.210653 4C 2px -0.357724 0.028248 0.019336 -0.179056 0.008195 -0.146021 4C 2py -0.059276 0.074356 -0.170435 0.064727 -0.139067 -0.135897 4C 3pz 0.352839 0.948118 -0.880996 0.498599 -0.415005 1.207835 4C 3px -2.208103 0.525153 -0.608671 -1.189610 -0.239436 -1.962668 4C 3py -0.925697 0.705189 0.137360 -0.457675 0.080878 0.730597 4C 1dz2 -0.001924 -0.000075 -0.003209 -0.002098 -0.002779 -0.001486 4C 1dxz 0.006462 0.010982 -0.002882 -0.001886 0.009411 0.004651 4C 1dyz -0.003745 -0.009733 0.002521 0.002016 -0.006947 0.001702 4C 1dx2y2 -0.002366 -0.011690 0.000099 0.003386 -0.005633 -0.000587 4C 1dxy 0.000785 -0.007855 0.002188 0.002391 0.000082 0.004243 4C 2dz2 0.035276 -0.017080 0.008705 0.042866 -0.017593 0.024647 4C 2dxz -0.094856 -0.046586 0.023083 -0.033685 -0.011249 -0.039463 4C 2dyz -0.044590 -0.016589 0.001143 0.032459 -0.040152 -0.018349 4C 2dx2y2 0.002516 0.039688 -0.013496 -0.024663 0.007879 0.018209 4C 2dxy -0.073108 -0.017909 -0.025864 -0.024853 -0.026608 -0.039324 4C 1f0 0.003053 0.003354 0.000987 -0.004399 0.002841 0.002166 4C 1f+1 0.000999 -0.002864 -0.001339 -0.001128 0.002214 -0.002711 4C 1f-1 0.004176 0.000537 -0.000431 0.001142 0.000438 0.004084 4C 1f+2 -0.001216 -0.001180 -0.000202 0.005344 -0.002113 0.002280 4C 1f-2 -0.006172 -0.003279 0.003597 -0.000762 0.000140 -0.000468 4C 1f+3 -0.000024 -0.001805 -0.002300 0.002889 -0.001682 0.000712 4C 1f-3 0.006154 0.001701 0.005139 -0.001003 0.003165 -0.000631 5C 1s -0.001808 0.003976 -0.006116 -0.002724 0.007407 0.003087 5C 2s -0.002867 0.008315 -0.013720 -0.005114 0.015110 0.004992 5C 3s -0.038169 -0.018261 0.005785 -0.021015 0.015607 0.061885 5C 4s 0.360024 -0.069453 0.190168 0.284872 -0.443322 -0.578536 5C 5s -0.348116 0.681108 -0.247533 -0.561217 0.589938 1.843438 5C 1pz 0.039984 -0.003957 0.066080 -0.028185 0.011237 -0.077356 5C 1px 0.040950 0.028865 0.015106 0.042749 0.011158 -0.005529 5C 1py 0.019734 -0.011428 0.034603 -0.022110 0.045156 -0.007335 5C 2pz 0.180924 0.000176 0.171895 -0.153872 0.002606 -0.181281 5C 2px -0.130070 0.070750 0.025690 0.358501 0.173375 -0.073414 5C 2py 0.001851 -0.018773 0.020062 0.022135 0.144593 -0.084293 5C 3pz 0.101439 -0.062823 -0.127297 -0.179266 -1.120641 0.062771 5C 3px -1.471051 0.810636 -0.094064 1.882888 2.039261 -0.521775 5C 3py -0.317931 -0.435216 -1.100599 0.220636 0.273854 1.054292 5C 1dz2 -0.001702 -0.000104 -0.000396 0.000823 0.003584 0.001384 5C 1dxz -0.003515 0.000539 0.000291 -0.003895 -0.002172 0.002498 5C 1dyz -0.005535 0.001038 0.003973 -0.005185 0.000037 0.007757 5C 1dx2y2 0.003889 -0.003166 -0.004805 -0.001916 -0.005993 -0.001313 5C 1dxy 0.001571 0.002525 -0.001090 0.004815 0.005176 -0.000352 5C 2dz2 -0.005160 -0.016019 -0.013655 -0.026078 -0.016238 0.005541 5C 2dxz -0.000726 -0.015761 -0.003852 0.056176 0.021085 -0.023345 5C 2dyz -0.050011 -0.015640 -0.009360 0.017031 0.026131 0.040768 5C 2dx2y2 -0.031828 0.024358 0.024495 0.040454 0.040946 -0.010284 5C 2dxy 0.013522 0.002024 0.018053 -0.083321 -0.031216 0.009551 5C 1f0 -0.002080 0.001214 -0.001713 0.001919 0.002332 0.002075 5C 1f+1 -0.002354 -0.000302 -0.004708 -0.003323 0.002534 0.002808 5C 1f-1 -0.001878 -0.000238 -0.002496 0.003483 -0.000143 0.001506 5C 1f+2 0.000207 0.000759 0.002575 -0.000201 0.002062 -0.003160 5C 1f-2 0.004619 0.001973 0.000808 -0.005556 -0.003281 -0.001021 5C 1f+3 -0.002324 -0.002803 0.000588 -0.001905 0.001361 -0.000060 5C 1f-3 0.002753 -0.000391 -0.002008 0.004270 -0.000350 -0.005113 6C 1s 0.001064 0.004020 -0.006220 0.002919 -0.007412 -0.003318 6C 2s 0.001271 0.008263 -0.013945 0.005566 -0.015130 -0.005520 6C 3s 0.039552 -0.012335 0.006129 0.020550 -0.014642 -0.059445 6C 4s -0.336689 -0.114779 0.192535 -0.288726 0.435923 0.569896 6C 5s 0.272456 0.713082 -0.240906 0.551634 -0.583208 -1.844545 6C 1pz 0.038172 0.008416 -0.066441 -0.028245 0.012140 -0.077455 6C 1px 0.043578 -0.023544 -0.015651 0.043610 0.011727 -0.005503 6C 1py 0.018263 0.013644 -0.034675 -0.022635 0.045582 -0.006817 6C 2pz 0.175493 0.020284 -0.175636 -0.153844 0.004523 -0.180425 6C 2px -0.121886 -0.080133 -0.019870 0.361427 0.174284 -0.073081 6C 2py 0.002176 0.019766 -0.019178 0.020631 0.144475 -0.084917 6C 3pz 0.081451 0.055982 0.120593 -0.171765 -1.119481 0.088366 6C 3px -1.385201 -0.956607 0.147372 1.917510 2.045794 -0.560447 6C 3py -0.324935 0.412022 1.109880 0.190464 0.260050 1.040292 6C 1dz2 0.001786 0.000213 -0.000389 -0.000936 -0.003561 -0.001196 6C 1dxz 0.003511 0.001059 0.000302 0.003887 0.002175 -0.002492 6C 1dyz 0.005535 0.001841 0.004016 0.005063 0.000053 -0.007565 6C 1dx2y2 -0.003643 -0.003712 -0.004766 0.002143 0.006000 0.001030 6C 1dxy -0.001896 0.002253 -0.001129 -0.004901 -0.005183 0.000498 6C 2dz2 0.006260 -0.014869 -0.012841 0.026565 0.017189 -0.003950 6C 2dxz 0.001291 -0.015875 -0.004139 -0.055670 -0.020919 0.024468 6C 2dyz 0.050467 -0.008938 -0.009837 -0.017019 -0.025565 -0.039300 6C 2dx2y2 0.030426 0.027180 0.023472 -0.041549 -0.041320 0.007885 6C 2dxy -0.012748 0.002488 0.019777 0.083567 0.030902 -0.009488 6C 1f0 -0.001846 -0.001431 0.001754 0.001901 0.002309 0.002019 6C 1f+1 -0.002245 -0.000064 0.004733 -0.003339 0.002450 0.002580 6C 1f-1 -0.001853 0.000054 0.002574 0.003483 -0.000175 0.001524 6C 1f+2 0.000250 -0.000709 -0.002527 -0.000203 0.002078 -0.003226 6C 1f-2 0.004681 -0.001444 -0.000915 -0.005544 -0.003195 -0.000888 6C 1f+3 -0.002514 0.002376 -0.000635 -0.001946 0.001299 -0.000350 6C 1f-3 0.002633 0.000834 0.002068 0.004262 -0.000300 -0.004900 7C 1s -0.002055 -0.015542 0.005853 0.003860 -0.000913 0.010946 7C 2s -0.002917 -0.035997 0.013044 0.007507 0.000024 0.022927 7C 3s -0.053095 0.052477 -0.000264 0.023535 -0.065204 0.003706 7C 4s 0.482151 0.194052 -0.219523 -0.373149 0.505535 -0.512391 7C 5s -1.063382 1.300280 0.225180 0.235662 -1.392057 1.475938 7C 1pz -0.033351 -0.039624 -0.029734 0.010874 0.014063 0.052159 7C 1px -0.002359 -0.030644 -0.022274 -0.027933 -0.026232 0.006333 7C 1py 0.001064 -0.016657 0.066461 0.037244 -0.064099 -0.026360 7C 2pz 0.073478 -0.156760 -0.027525 0.028232 0.036147 0.210392 7C 2px -0.352148 -0.072426 -0.014747 -0.179158 0.008124 -0.147428 7C 2py -0.045351 -0.083511 0.170581 0.062360 -0.139049 -0.136402 7C 3pz 0.473861 -0.901411 0.879539 0.484317 -0.423773 1.200304 7C 3px -2.113098 -0.798336 0.648796 -1.196044 -0.247712 -2.028315 7C 3py -0.829764 -0.827550 -0.119515 -0.469897 0.085703 0.698150 7C 1dz2 0.001915 0.000144 -0.003231 0.002137 0.002808 0.001572 7C 1dxz -0.007779 0.010106 -0.002903 0.001857 -0.009445 -0.004893 7C 1dyz 0.004885 -0.009182 0.002576 -0.001936 0.006965 -0.001488 7C 1dx2y2 0.003746 -0.011445 0.000183 -0.003441 0.005740 0.000668 7C 1dxy 0.000127 -0.007938 0.002285 -0.002343 -0.000034 -0.004203 7C 2dz2 -0.032612 -0.021897 0.009282 -0.043002 0.017624 -0.024595 7C 2dxz 0.101363 -0.034920 0.022126 0.033368 0.011155 0.038261 7C 2dyz 0.046299 -0.011465 0.001615 -0.032259 0.040288 0.020079 7C 2dx2y2 -0.008550 0.039737 -0.013225 0.025236 -0.007632 -0.017265 7C 2dxy 0.074361 -0.008410 -0.026599 0.026014 0.027006 0.040386 7C 1f0 0.003389 -0.002946 -0.001054 -0.004324 0.002896 0.002291 7C 1f+1 0.000506 0.002942 0.001352 -0.001093 0.002206 -0.002500 7C 1f-1 0.004280 -0.000038 0.000427 0.001112 0.000441 0.004165 7C 1f+2 -0.001272 0.001047 0.000224 0.005278 -0.002171 0.001976 7C 1f-2 -0.006616 0.002564 -0.003516 -0.000718 0.000143 -0.000453 7C 1f+3 -0.000201 0.001872 0.002254 0.002923 -0.001697 0.000651 7C 1f-3 0.006145 -0.000889 -0.005203 -0.000906 0.003249 -0.000504 8C 1s 0.004120 0.003254 0.000884 0.001450 -0.000441 -0.000223 8C 2s 0.008144 0.006791 0.001936 0.002813 -0.000132 -0.000827 8C 3s 0.009417 0.001610 -0.009240 0.000103 -0.015837 0.015390 8C 4s -0.191501 -0.103071 0.010449 -0.039969 0.100062 -0.094365 8C 5s 0.707998 0.253169 1.047589 -0.297418 -0.184750 1.672777 8C 1pz -0.007259 -0.007600 0.048779 0.012654 -0.010991 -0.003999 8C 1px 0.001236 -0.021071 0.015910 -0.003642 0.004987 0.015817 8C 1py -0.032656 0.016615 0.014304 -0.004689 0.001576 0.043105 8C 2pz -0.030413 -0.021340 -0.000064 -0.027586 0.014870 -0.019294 8C 2px 0.006776 -0.041535 0.013320 0.050092 0.040048 0.028073 8C 2py 0.006612 0.015662 0.025490 0.019231 0.010745 0.038212 8C 3pz -0.158631 -0.716099 -0.804806 0.032626 0.749411 -0.212158 8C 3px 0.797462 0.806097 -0.351506 -0.502098 -1.237515 -0.706715 8C 3py 0.199768 0.223157 -0.319740 -0.428127 0.186961 0.239934 8C 1dz2 -0.000270 -0.002489 -0.004602 0.001122 0.005536 -0.001791 8C 1dxz -0.002048 -0.004280 0.001874 -0.005092 -0.001640 0.004927 8C 1dyz -0.001756 -0.000780 -0.005045 -0.006098 0.001325 0.004669 8C 1dx2y2 0.002708 0.007461 0.003268 -0.002713 -0.007659 -0.001156 8C 1dxy -0.004141 -0.000892 0.003702 0.007699 0.007016 -0.000589 8C 2dz2 -0.004699 -0.004161 0.002508 0.005526 0.009508 0.007506 8C 2dxz 0.024647 0.025035 -0.010208 0.005144 -0.016173 -0.046592 8C 2dyz -0.024370 0.036375 0.034145 -0.000483 -0.032633 0.019944 8C 2dx2y2 -0.012447 -0.005218 -0.051256 -0.031814 0.018104 -0.004354 8C 2dxy -0.001963 -0.019468 -0.026124 0.001860 0.036836 0.027436 8C 1f0 0.000144 0.002132 0.006152 0.002816 -0.004087 -0.000546 8C 1f+1 0.001031 0.003107 0.001822 0.002502 -0.002765 -0.001975 8C 1f-1 0.003888 -0.000945 -0.004724 -0.000246 0.002512 -0.002502 8C 1f+2 -0.000843 -0.001078 0.000780 0.001620 0.001584 -0.001264 8C 1f-2 -0.002164 -0.001641 0.000627 -0.001937 0.001099 -0.000705 8C 1f+3 -0.001822 -0.000620 0.003982 0.000205 -0.000358 0.005274 8C 1f-3 0.000525 -0.003391 -0.001182 -0.000927 0.002207 0.002457 9C 1s -0.002806 0.008576 -0.001445 0.000794 -0.004857 -0.002795 9C 2s -0.006254 0.018684 -0.003181 0.001684 -0.009828 -0.006586 9C 3s 0.019355 -0.015038 0.006364 -0.010004 -0.006301 0.020815 9C 4s -0.029196 -0.214023 0.028083 0.038749 0.204815 -0.007764 9C 5s 0.625527 1.261785 -1.018261 0.159938 0.065080 -1.371719 9C 1pz -0.016025 0.043570 0.012630 0.033845 -0.034284 -0.014028 9C 1px -0.005365 -0.020262 0.014094 -0.025274 -0.015489 0.009551 9C 1py -0.021552 0.019802 -0.047750 -0.013679 -0.011488 0.010484 9C 2pz 0.032633 0.006424 0.023538 0.005955 0.009603 0.036086 9C 2px -0.031085 -0.022172 -0.000597 -0.040824 -0.043270 0.011765 9C 2py 0.009985 0.003080 -0.014445 -0.059682 -0.022017 0.018856 9C 3pz -0.584559 -0.686195 -0.190608 -0.468610 -0.119140 0.443253 9C 3px 0.272310 1.401854 -0.392462 1.370580 -0.260162 1.257115 9C 3py 0.273813 -0.142317 0.823885 0.393187 -0.257775 0.040834 9C 1dz2 -0.004990 -0.003356 -0.000220 -0.003179 -0.000946 -0.003070 9C 1dxz 0.011744 -0.005699 0.003683 0.000506 0.004251 0.003907 9C 1dyz -0.002733 0.004262 -0.000471 0.006571 -0.003114 0.000684 9C 1dx2y2 -0.001017 0.010990 0.000412 0.007458 -0.002415 0.002130 9C 1dxy 0.002498 0.001555 -0.007555 0.003174 0.002349 0.008270 9C 2dz2 -0.028792 0.009488 -0.024166 -0.010786 -0.027740 0.001821 9C 2dxz -0.031545 0.072202 -0.047816 0.062394 0.010176 0.031898 9C 2dyz -0.021787 -0.000046 0.009455 -0.003344 -0.031123 -0.018446 9C 2dx2y2 0.011417 -0.054734 -0.007995 -0.037672 0.029804 0.015265 9C 2dxy 0.009772 0.014057 0.031354 0.038397 -0.002323 -0.006899 9C 1f0 0.001214 0.005168 0.004308 0.005804 -0.002002 -0.002207 9C 1f+1 -0.001024 -0.000260 -0.003683 -0.000767 0.000417 0.001533 9C 1f-1 0.003387 -0.003473 -0.000448 -0.003703 0.002839 0.000718 9C 1f+2 0.001031 -0.005325 0.001047 -0.003497 0.000786 -0.001778 9C 1f-2 0.002132 -0.001015 0.003561 -0.003496 -0.003772 -0.001376 9C 1f+3 0.002792 -0.003025 0.004669 -0.000988 0.000910 -0.003089 9C 1f-3 -0.001864 0.003658 -0.002777 0.004235 0.001124 0.001441 10H 1s 0.028414 0.035229 -0.001108 -0.007328 0.021230 0.016154 10H 2s 0.172165 0.474848 -0.064689 -0.291814 0.177781 -0.002050 10H 3s -0.233195 0.602668 0.024002 -0.502140 -0.044115 -0.588822 10H 1pz -0.006468 0.017335 0.000933 -0.016939 0.001053 -0.003705 10H 1px -0.012707 -0.022343 0.006941 0.013517 -0.011063 -0.002627 10H 1py 0.000712 0.007761 -0.012313 -0.005484 -0.003092 -0.008825 11H 1s -0.018999 -0.011837 0.016817 0.009071 -0.010736 0.008258 11H 2s -0.158880 -0.164403 0.333719 0.113438 0.005002 0.172563 11H 3s -0.076567 -0.551784 0.182636 0.313259 -0.384753 0.354104 11H 1pz -0.003976 0.003261 0.020359 -0.002956 0.010601 0.009763 11H 1px -0.006733 -0.018067 0.014177 0.012935 0.001958 0.005650 11H 1py 0.006383 -0.003276 -0.006559 0.005282 -0.002531 0.003228 12H 1s -0.008967 -0.008625 -0.013253 0.004398 -0.011937 -0.007951 12H 2s 0.047230 -0.162554 -0.224281 0.198716 -0.115772 -0.124931 12H 3s 0.202375 -0.411104 0.064382 0.405846 -0.162923 0.295427 12H 1pz 0.005819 -0.000604 0.001437 0.006873 -0.000635 0.005437 12H 1px -0.001522 -0.019478 0.000459 0.017475 -0.004741 0.002039 12H 1py 0.005175 -0.000541 -0.019622 0.008385 -0.002238 -0.014017 13H 1s -0.006741 0.012863 0.005979 -0.030620 -0.011833 0.015344 13H 2s -0.139042 0.220498 0.083226 -0.236914 0.092420 0.210469 13H 3s -0.255024 0.618131 -0.128172 0.381209 0.515751 0.300205 13H 1pz -0.004624 0.011217 0.014598 -0.010469 0.012134 0.004234 13H 1px 0.005673 -0.001402 -0.000939 0.013431 0.001586 -0.010578 13H 1py 0.006554 -0.008380 0.003896 -0.002922 -0.010063 -0.001947 14H 1s 0.000523 0.009933 0.010526 0.015670 0.015044 -0.008097 14H 2s 0.102918 0.007484 0.208287 0.060494 0.083275 -0.161901 14H 3s 0.361079 -0.100381 -0.019304 -0.223287 -0.525941 -0.032702 14H 1pz -0.001099 0.007468 0.016399 -0.003255 0.011212 -0.004242 14H 1px 0.006630 -0.007298 0.009737 0.004817 0.001746 -0.014355 14H 1py -0.007415 0.003180 0.000834 0.005988 0.012193 0.004827 15H 1s 0.004644 -0.003846 -0.019285 0.013218 -0.011355 -0.014349 15H 2s -0.014653 -0.127915 -0.357015 0.145455 -0.214273 -0.011842 15H 3s 0.423294 -0.136064 -0.163051 0.044223 -0.424081 -0.171337 15H 1pz 0.004145 0.007312 0.012164 -0.006905 0.001914 0.002512 15H 1px 0.003565 -0.008377 -0.005172 0.004383 -0.007510 -0.004481 15H 1py 0.009822 0.004797 0.024093 -0.005255 0.009910 -0.011341 16H 1s 0.011247 -0.009366 -0.000747 -0.016868 0.033020 -0.010222 16H 2s 0.137541 -0.054216 -0.035133 -0.320189 0.148889 -0.019825 16H 3s -0.263328 0.082482 0.075112 0.376310 0.312887 -0.322124 16H 1pz 0.009632 -0.002671 -0.004992 -0.027874 0.000350 0.003153 16H 1px 0.001000 -0.005131 0.001906 0.006669 0.013247 -0.005751 16H 1py 0.003567 -0.000962 -0.000906 -0.008135 0.002716 0.000021 17H 1s -0.002450 0.020630 0.000348 0.023142 -0.028383 -0.014366 17H 2s 0.100043 0.070623 0.035229 0.205439 -0.232441 0.048680 17H 3s -0.442940 0.322897 -0.060105 0.067855 0.071179 -0.469716 17H 1pz -0.005813 -0.001972 -0.002923 -0.009940 0.011937 -0.001262 17H 1px -0.013472 0.008751 -0.004982 -0.006623 0.000966 -0.018656 17H 1py 0.004676 0.000023 0.002025 0.005333 -0.008000 0.003598 18H 1s 0.000682 0.020701 0.000166 -0.023314 0.028459 0.012948 18H 2s -0.099155 0.058189 0.034592 -0.203471 0.234405 -0.058703 18H 3s 0.401490 0.374438 -0.068258 -0.074209 -0.070888 0.472914 18H 1pz -0.005715 0.001185 0.003106 -0.010250 0.012109 -0.002120 18H 1px -0.011894 -0.010307 0.005096 -0.006369 0.001024 -0.018737 18H 1py 0.004076 0.000331 -0.001895 0.004798 -0.007943 0.003574 19H 1s -0.010418 -0.010310 -0.000782 0.016766 -0.032558 0.011769 19H 2s -0.134966 -0.065572 -0.033498 0.323582 -0.143357 0.034610 19H 3s 0.258364 0.111207 0.065891 -0.383156 -0.312778 0.320082 19H 1pz 0.009680 0.003546 0.004723 -0.027939 0.000034 0.002283 19H 1px 0.000263 0.005262 -0.001872 0.007140 0.013205 -0.005969 19H 1py 0.003718 0.001338 0.001048 -0.009030 0.002546 -0.000405 20H 1s -0.004441 -0.004419 -0.019279 -0.013143 0.011303 0.014144 20H 2s 0.022804 -0.125613 -0.356549 -0.141885 0.216759 0.010141 20H 3s -0.414510 -0.192664 -0.160087 -0.031489 0.425858 0.154564 20H 1pz 0.004821 -0.006662 -0.012217 -0.006857 0.001906 0.002573 20H 1px 0.002814 0.008676 0.005190 0.004213 -0.007696 -0.004559 20H 1py 0.009942 -0.003502 -0.024099 -0.005097 0.010117 -0.011234 21H 1s -0.001727 0.009749 0.010480 -0.015860 -0.014931 0.008846 21H 2s -0.103114 -0.002822 0.211542 -0.060217 -0.083154 0.168170 21H 3s -0.355398 -0.143509 -0.008274 0.227507 0.527476 0.024493 21H 1pz -0.000548 -0.007571 -0.016487 -0.003001 0.011350 -0.004578 21H 1px 0.005811 0.007858 -0.009859 0.004654 0.001665 -0.014655 21H 1py -0.007035 -0.003908 -0.000582 0.006184 0.012131 0.004475 22H 1s 0.005590 0.013830 0.006139 0.030574 0.011921 -0.015664 22H 2s 0.119041 0.234193 0.081080 0.232435 -0.092252 -0.210980 22H 3s 0.183972 0.632119 -0.135743 -0.393140 -0.518746 -0.297238 22H 1pz -0.003755 -0.011631 -0.014498 -0.010008 0.012219 0.003928 22H 1px 0.005725 0.002167 0.000982 0.013434 0.001586 -0.010690 22H 1py 0.005740 0.008906 -0.004160 -0.003077 -0.010082 -0.001901 23H 1s 0.010060 -0.007829 -0.013554 -0.004744 0.012288 0.007627 23H 2s -0.025733 -0.170669 -0.227319 -0.200701 0.120886 0.119553 23H 3s -0.135098 -0.444093 0.072478 -0.409048 0.175344 -0.305231 23H 1pz 0.005601 0.001130 -0.001597 0.006737 -0.000595 0.005456 23H 1px -0.004111 0.019174 -0.000494 0.017460 -0.004799 0.002274 23H 1py 0.005142 0.001507 0.019844 0.008570 -0.002491 -0.013799 24H 1s 0.020701 -0.009036 0.016642 -0.008969 0.010504 -0.007513 24H 2s 0.182725 -0.141674 0.330952 -0.116712 -0.008113 -0.168482 24H 3s 0.137356 -0.540644 0.195420 -0.318775 0.379774 -0.361201 24H 1pz -0.003771 -0.003940 -0.020053 -0.002774 0.010782 0.009693 24H 1px -0.009402 0.017054 -0.014053 0.013046 0.002030 0.005641 24H 1py 0.005918 0.004494 0.006160 0.005578 -0.002613 0.003736 25H 1s -0.032621 0.031424 -0.000702 0.007064 -0.021408 -0.016793 25H 2s -0.232492 0.450647 -0.060673 0.291102 -0.180565 -0.000707 25H 3s 0.152224 0.632596 0.018613 0.496206 0.041232 0.601275 25H 1pz -0.004005 -0.018291 -0.000995 -0.017119 0.001364 -0.003945 25H 1px -0.015579 0.020661 -0.006870 0.013660 -0.011139 -0.002765 25H 1py 0.001472 -0.007302 0.012228 -0.005439 -0.003357 -0.008898 26O 1s -0.010897 0.010345 -0.004349 -0.004459 -0.008526 -0.000618 26O 2s -0.028344 0.025961 -0.010734 -0.011854 -0.021333 -0.002291 26O 3s 0.069575 -0.053094 0.018310 0.033513 0.042079 0.014842 26O 4s -0.086395 -0.006878 0.018967 -0.050841 0.015474 -0.062711 26O 5s 1.720729 -0.846889 0.402785 0.862704 0.420946 0.744748 26O 1pz -0.038501 0.004462 0.012257 -0.024046 0.002045 -0.062962 26O 1px 0.008331 0.063685 -0.001406 0.007442 0.017754 0.004329 26O 1py -0.021916 0.004593 -0.040657 -0.033766 0.010653 -0.011940 26O 2pz -0.034373 0.037397 -0.009337 -0.029306 -0.017226 -0.040450 26O 2px -0.043455 0.062704 -0.020401 -0.014239 -0.005756 -0.010336 26O 2py -0.052164 0.028468 -0.036207 -0.061630 -0.004511 0.003062 26O 3pz -0.086151 -0.169910 0.114705 -0.019418 0.248137 -0.373012 26O 3px -0.587075 0.295685 -0.121757 -0.021382 0.007700 -0.176582 26O 3py -0.229235 -0.015145 -0.110409 0.022574 0.156620 -0.279068 26O 1dz2 0.001479 -0.002100 -0.000326 -0.000094 0.000800 0.000950 26O 1dxz 0.000931 -0.000517 -0.000471 -0.000730 0.000299 -0.000799 26O 1dyz 0.000235 -0.000463 0.000002 0.000482 -0.001892 -0.000427 26O 1dx2y2 -0.002972 0.000478 -0.001957 0.000846 -0.001969 0.001058 26O 1dxy -0.001608 0.001475 0.000344 -0.000314 -0.000778 0.001133 26O 2dz2 -0.018293 -0.007212 -0.009647 -0.002834 -0.002647 -0.012422 26O 2dxz 0.004472 -0.001914 0.000364 0.008109 0.000939 0.000742 26O 2dyz -0.002354 -0.013521 0.007674 0.006083 -0.003808 -0.001782 26O 2dx2y2 0.029505 0.000140 0.002850 0.002484 -0.000983 0.018724 26O 2dxy 0.028324 -0.001204 0.002027 0.011008 -0.002857 0.012515 26O 1f0 0.000353 -0.000829 0.000541 0.000393 -0.000309 0.000146 26O 1f+1 0.001901 0.000437 0.000741 0.000196 0.000787 0.000158 26O 1f-1 0.000597 -0.000653 0.000631 0.000811 0.000871 -0.000139 26O 1f+2 -0.000626 0.000567 0.000370 -0.000671 -0.000546 0.000373 26O 1f-2 0.000050 0.001513 -0.000185 -0.000355 0.001371 -0.000185 26O 1f+3 0.001187 0.000163 -0.000333 -0.000022 0.000336 0.000568 26O 1f-3 0.002096 -0.000632 0.000258 0.000385 0.000082 0.000799 27O 1s -0.001069 0.003685 0.003677 0.011628 0.004189 -0.006553 27O 2s -0.003435 0.009515 0.008831 0.029358 0.011734 -0.016385 27O 3s 0.018766 -0.022996 -0.011953 -0.059824 -0.041439 0.031958 27O 4s -0.075499 0.023404 -0.033374 0.008631 0.091673 0.009808 27O 5s 0.736912 -0.598610 -0.205718 -1.345356 -1.108169 0.455013 27O 1pz -0.009977 0.025156 0.031248 0.018403 0.023652 0.034668 27O 1px -0.027172 0.005166 0.021292 0.002701 0.008331 0.002471 27O 1py 0.001510 0.005087 0.016987 -0.033183 -0.065709 -0.026363 27O 2pz -0.004590 0.032491 0.027835 0.014370 0.015666 0.038569 27O 2px -0.032587 0.018531 0.029639 0.048963 0.027445 -0.017028 27O 2py -0.019887 -0.010802 -0.012297 -0.022627 -0.054817 -0.009340 27O 3pz -0.090363 -0.000616 -0.028770 -0.036666 0.101507 0.118303 27O 3px -0.273403 0.135215 0.086317 0.499358 0.205987 -0.162505 27O 3py 0.228890 0.047309 0.207468 -0.210513 -0.284055 -0.140669 27O 1dz2 -0.000381 -0.000823 -0.000827 -0.002193 0.002188 -0.000063 27O 1dxz -0.001273 0.000100 -0.001875 -0.000527 0.000719 0.001798 27O 1dyz -0.000873 0.000639 -0.000037 -0.000618 0.000228 0.001202 27O 1dx2y2 0.001509 0.000138 -0.000246 0.003358 -0.000511 -0.000677 27O 1dxy -0.000352 -0.000754 -0.000131 -0.001527 -0.000323 0.000725 27O 2dz2 -0.014128 0.005505 -0.006203 0.017970 0.010658 -0.008338 27O 2dxz -0.000986 -0.001025 0.000246 0.005266 0.003860 -0.005237 27O 2dyz -0.003927 0.004838 0.007167 -0.008048 0.000099 0.004420 27O 2dx2y2 0.013333 -0.004206 -0.003400 -0.025944 -0.016615 0.012134 27O 2dxy -0.008831 0.001378 0.003476 0.006885 0.008853 -0.001520 27O 1f0 0.000122 0.000128 -0.000057 0.000714 0.000144 -0.000416 27O 1f+1 0.000527 -0.000129 0.000281 -0.001358 -0.000474 0.000751 27O 1f-1 -0.000429 0.000144 -0.000391 0.000259 -0.000003 0.000290 27O 1f+2 0.000107 0.000570 0.000490 -0.000386 0.000010 0.000247 27O 1f-2 0.000443 -0.000258 -0.000400 0.000752 -0.000125 -0.000716 27O 1f+3 0.000149 -0.000266 -0.000721 -0.001558 -0.000215 0.000929 27O 1f-3 -0.001130 0.000620 0.000398 0.001062 0.000470 -0.000146 28O 1s 0.004108 0.008323 -0.003169 0.002948 -0.000417 0.011761 28O 2s 0.011292 0.019841 -0.007608 0.008552 -0.000925 0.030253 28O 3s -0.035252 -0.023434 0.009977 -0.032877 0.000594 -0.071229 28O 4s 0.068191 -0.108874 0.028483 0.115194 -0.014233 0.056364 28O 5s -1.200981 -0.423378 0.192052 -0.980529 0.082445 -1.455809 28O 1pz 0.051377 0.068688 0.021218 0.013300 0.066057 0.007370 28O 1px 0.011305 -0.043764 0.025086 0.026648 0.003366 -0.029836 28O 1py 0.041926 0.034124 -0.044649 0.022833 0.044602 0.014329 28O 2pz 0.049731 0.073108 0.005694 0.032145 0.039639 0.030629 28O 2px -0.033963 -0.049177 0.029472 0.001892 0.004505 -0.059382 28O 2py 0.023992 0.021149 -0.061499 0.036550 0.027885 0.009004 28O 3pz 0.510845 0.285998 0.093693 0.132584 0.220969 0.251536 28O 3px -0.151768 -0.347159 0.154422 -0.178709 0.117817 -0.381783 28O 3py 0.270140 0.111664 0.058698 -0.023228 0.176255 0.046357 28O 1dz2 0.000046 -0.000310 -0.000537 -0.000291 0.000625 0.001004 28O 1dxz -0.000031 -0.000690 0.000314 -0.003504 0.000751 -0.001758 28O 1dyz -0.000541 -0.000600 0.000307 -0.000271 -0.000275 0.000415 28O 1dx2y2 -0.001208 0.002030 -0.000972 0.001679 -0.000596 0.002391 28O 1dxy -0.001035 0.000538 -0.001244 0.000205 -0.001238 -0.000827 28O 2dz2 -0.000213 -0.001005 -0.003889 -0.005516 0.001278 -0.000320 28O 2dxz 0.032657 0.014394 -0.004037 0.007748 -0.003496 0.020541 28O 2dyz -0.004470 -0.007314 0.005879 -0.004552 0.003756 -0.000741 28O 2dx2y2 -0.017703 -0.010240 -0.003367 -0.003528 0.001584 -0.010125 28O 2dxy 0.002348 -0.000335 0.001486 0.003819 -0.000348 0.003785 28O 1f0 -0.000646 0.000121 0.001051 -0.000491 0.000678 -0.000725 28O 1f+1 -0.000590 -0.000756 -0.000039 -0.000738 0.000117 -0.000717 28O 1f-1 0.000555 0.000831 0.000068 -0.000436 0.000629 -0.000300 28O 1f+2 0.001129 0.000399 -0.000021 0.001084 -0.000795 0.001618 28O 1f-2 -0.000439 -0.000982 0.000771 -0.000221 0.000157 -0.000267 28O 1f+3 0.000611 0.000341 0.000224 0.000369 -0.000313 0.000299 28O 1f-3 -0.000306 0.000325 0.000090 -0.000654 0.000519 -0.000584 29O 1s 0.008649 0.002996 -0.000372 0.000882 -0.002416 -0.001180 29O 2s 0.020591 0.007576 -0.000835 0.002235 -0.005568 -0.003366 29O 3s -0.025093 -0.016274 0.000377 -0.005997 0.003329 0.014644 29O 4s -0.082584 -0.009086 0.008755 -0.014718 0.038860 -0.025424 29O 5s -0.208822 -0.105453 -0.012931 0.073297 0.025280 0.068481 29O 1pz -0.002952 -0.005621 0.011199 0.011078 0.022534 -0.004969 29O 1px 0.029215 -0.007482 0.002646 -0.003984 -0.016726 0.043645 29O 1py -0.064587 0.025595 -0.001382 0.022136 0.007667 0.018226 29O 2pz 0.010812 -0.001923 0.003709 -0.022758 0.034246 -0.006980 29O 2px -0.012349 -0.010878 0.000222 -0.006054 -0.002000 0.045023 29O 2py -0.076642 0.029809 -0.000296 0.026249 0.006666 0.040583 29O 3pz -0.047240 -0.076716 -0.010525 -0.213770 0.189675 -0.069718 29O 3px 0.251025 -0.007303 -0.007782 -0.128875 -0.006276 0.049469 29O 3py 0.104529 0.021520 0.001281 -0.027231 -0.052472 -0.051897 29O 1dz2 0.000266 -0.001312 -0.000450 -0.003255 0.002794 -0.000100 29O 1dxz -0.000616 0.001099 0.000532 0.001994 -0.002891 0.000241 29O 1dyz 0.000768 -0.001361 -0.000620 -0.004971 0.003286 -0.000895 29O 1dx2y2 -0.000008 0.001319 0.000123 0.001337 -0.001026 -0.000144 29O 1dxy -0.001228 -0.000218 -0.000362 -0.001571 0.001646 0.000203 29O 2dz2 -0.001462 -0.001600 0.002342 0.011116 0.006437 -0.002129 29O 2dxz -0.004276 0.003376 -0.002938 -0.008302 -0.006297 -0.003341 29O 2dyz 0.001289 0.000134 0.002307 0.015281 -0.004540 -0.000548 29O 2dx2y2 -0.006738 0.006114 -0.001017 0.002253 -0.001441 -0.010298 29O 2dxy 0.000603 -0.003636 0.001573 0.000820 -0.005735 0.017570 29O 1f0 0.001006 -0.000085 -0.000029 -0.001163 -0.000117 0.000319 29O 1f+1 -0.000491 0.000115 -0.000181 -0.000411 -0.000032 -0.000079 29O 1f-1 0.000964 0.000070 -0.000250 -0.001958 -0.000635 0.001115 29O 1f+2 -0.000164 -0.000359 0.000213 0.000618 0.000608 0.000056 29O 1f-2 0.000942 -0.000123 0.000418 0.001258 -0.000778 0.001413 29O 1f+3 -0.000315 0.000024 -0.000173 -0.000375 0.000132 -0.000923 29O 1f-3 -0.000212 0.000095 -0.000185 -0.000675 0.000257 -0.000138 30O 1s 0.001157 -0.006075 0.004539 -0.007035 -0.009474 -0.004873 30O 2s 0.003643 -0.015937 0.011220 -0.017684 -0.025122 -0.012312 30O 3s -0.017163 0.043452 -0.019550 0.033568 0.070048 0.026640 30O 4s 0.089686 -0.047894 -0.018796 0.012059 -0.114980 -0.021642 30O 5s -0.856441 0.403302 -0.402731 1.031038 1.467989 0.343646 30O 1pz -0.006727 -0.005383 0.056077 -0.044986 -0.039297 0.030634 30O 1px 0.009946 -0.000595 0.000229 -0.028454 -0.014060 0.004908 30O 1py 0.009268 -0.013323 0.014410 0.041549 0.011357 -0.034495 30O 2pz 0.012113 -0.012038 0.073992 -0.050995 -0.053798 0.000869 30O 2px -0.009208 0.006408 -0.000779 0.013211 0.016230 0.000314 30O 2py -0.006370 -0.011502 -0.000920 0.042886 0.021763 -0.002103 30O 3pz 0.158798 0.055593 0.073046 -0.336623 -0.210824 0.227686 30O 3px -0.250380 -0.052386 -0.168246 0.131516 0.232624 0.183346 30O 3py -0.166922 -0.075729 0.024298 0.405755 0.204108 -0.357619 30O 1dz2 -0.000636 0.000489 -0.001536 0.000130 0.001245 0.001244 30O 1dxz -0.000262 0.000066 -0.000236 0.001076 0.002131 0.000058 30O 1dyz -0.000252 0.000147 0.000041 0.001241 0.000488 0.001832 30O 1dx2y2 0.001638 0.000945 0.000403 0.000351 -0.000010 -0.001560 30O 1dxy 0.001142 -0.000317 0.000670 -0.002046 -0.001496 -0.001284 30O 2dz2 0.003831 0.001825 -0.002511 -0.002356 -0.003199 0.001464 30O 2dxz 0.014964 -0.001627 0.000450 -0.017640 -0.012962 0.002741 30O 2dyz 0.011011 0.003843 0.009236 -0.010289 -0.008156 -0.000112 30O 2dx2y2 -0.007426 -0.002753 -0.004948 0.012345 0.001624 -0.010512 30O 2dxy -0.012098 -0.004525 -0.004788 0.022885 0.011290 -0.005662 30O 1f0 -0.000863 -0.000111 0.000275 0.000707 0.000350 -0.000514 30O 1f+1 -0.000573 0.000374 -0.000264 0.000320 0.000333 0.000384 30O 1f-1 -0.000115 -0.000132 -0.001083 0.000363 -0.000384 -0.000313 30O 1f+2 0.000769 -0.000439 0.000149 -0.000488 -0.000728 -0.000998 30O 1f-2 0.001211 0.000333 0.000622 -0.001371 -0.001065 -0.000380 30O 1f+3 -0.000150 -0.000078 -0.000010 -0.000025 0.000374 0.000918 30O 1f-3 0.001097 -0.000305 0.000489 -0.000751 -0.001321 -0.000530 31O 1s -0.000263 -0.006003 0.004643 0.007068 0.009522 0.004953 31O 2s -0.001334 -0.015827 0.011512 0.017790 0.025249 0.012491 31O 3s 0.011466 0.044137 -0.020528 -0.034138 -0.070413 -0.026708 31O 4s -0.085103 -0.057278 -0.016078 -0.010214 0.115114 0.019085 31O 5s 0.785125 0.479630 -0.433808 -1.036926 -1.466276 -0.320210 31O 1pz -0.008659 0.003478 -0.057263 -0.044434 -0.039241 0.030492 31O 1px 0.010059 0.001853 -0.000536 -0.029096 -0.013811 0.005999 31O 1py 0.007934 0.015313 -0.014100 0.041605 0.011359 -0.034838 31O 2pz 0.008576 0.012213 -0.075510 -0.050540 -0.053534 0.001141 31O 2px -0.007772 -0.006913 0.001267 0.012957 0.016441 0.000590 31O 2py -0.006473 0.011622 0.000962 0.042773 0.021504 -0.002541 31O 3pz 0.160476 -0.041840 -0.081570 -0.334131 -0.209100 0.231546 31O 3px -0.244196 0.026282 0.173433 0.126152 0.228942 0.181298 31O 3py -0.173448 0.060577 -0.014691 0.405322 0.202939 -0.367213 31O 1dz2 0.000521 0.000570 -0.001550 -0.000097 -0.001235 -0.001262 31O 1dxz 0.000223 0.000068 -0.000261 -0.001057 -0.002119 -0.000070 31O 1dyz 0.000214 0.000174 0.000044 -0.001248 -0.000477 -0.001819 31O 1dx2y2 -0.001701 0.000743 0.000411 -0.000383 -0.000026 0.001562 31O 1dxy -0.001066 -0.000435 0.000716 0.002048 0.001492 0.001266 31O 2dz2 -0.003935 0.001351 -0.002404 0.002346 0.003194 -0.001526 31O 2dxz -0.014349 -0.003159 0.000959 0.017722 0.012848 -0.003204 31O 2dyz -0.010963 0.002784 0.009594 0.010194 0.008045 -0.000010 31O 2dx2y2 0.007559 -0.001867 -0.005105 -0.012354 -0.001571 0.010612 31O 2dxy 0.012231 -0.003270 -0.005209 -0.022867 -0.011120 0.006233 31O 1f0 -0.000857 0.000015 -0.000249 0.000706 0.000350 -0.000528 31O 1f+1 -0.000527 -0.000423 0.000273 0.000328 0.000322 0.000372 31O 1f-1 -0.000110 0.000133 0.001087 0.000347 -0.000395 -0.000309 31O 1f+2 0.000707 0.000531 -0.000154 -0.000500 -0.000722 -0.000974 31O 1f-2 0.001203 -0.000218 -0.000656 -0.001359 -0.001049 -0.000365 31O 1f+3 -0.000146 0.000065 0.000014 -0.000030 0.000373 0.000915 31O 1f-3 0.001037 0.000430 -0.000515 -0.000758 -0.001318 -0.000517 32O 1s -0.008890 0.002052 -0.000228 -0.000999 0.002496 0.001162 32O 2s -0.021213 0.005331 -0.000494 -0.002526 0.005760 0.003321 32O 3s 0.026619 -0.013556 -0.000021 0.006612 -0.003555 -0.014496 32O 4s 0.083012 0.000200 0.007110 0.015491 -0.039232 0.025615 32O 5s 0.216063 -0.084461 -0.014572 -0.073260 -0.030326 -0.070877 32O 1pz -0.002444 0.005989 -0.011115 0.010972 0.022397 -0.004735 32O 1px 0.028829 0.010817 -0.003575 -0.004765 -0.016585 0.043651 32O 1py -0.060648 -0.032545 0.002008 0.021756 0.009436 0.018149 32O 2pz 0.012672 0.003615 -0.003960 -0.022933 0.033965 -0.008393 32O 2px -0.012236 0.009568 -0.000547 -0.007049 -0.001556 0.044365 32O 2py -0.072031 -0.038185 0.001343 0.024313 0.009184 0.040143 32O 3pz -0.052583 0.069728 0.011341 -0.215524 0.188662 -0.078814 32O 3px 0.250219 0.034945 0.001633 -0.125493 -0.006684 0.048742 32O 3py 0.104407 -0.008914 -0.001789 -0.032812 -0.051859 -0.053389 32O 1dz2 -0.000142 -0.001239 -0.000438 0.003091 -0.002587 0.000257 32O 1dxz 0.000550 0.001175 0.000530 -0.002072 0.002969 -0.000406 32O 1dyz -0.000713 -0.001407 -0.000613 0.005071 -0.003302 0.001130 32O 1dx2y2 -0.000128 0.001339 0.000152 -0.001484 0.001091 0.000060 32O 1dxy 0.001184 -0.000022 -0.000337 0.001472 -0.001590 -0.000128 32O 2dz2 0.001956 -0.001414 0.002048 -0.010414 -0.006558 0.002111 32O 2dxz 0.003597 0.004031 -0.002993 0.008563 0.006175 0.003690 32O 2dyz -0.000676 -0.000026 0.002342 -0.015923 0.004325 0.000294 32O 2dx2y2 0.006013 0.007036 -0.001280 -0.001800 0.001378 0.010625 32O 2dxy 0.000188 -0.003458 0.001481 -0.000210 0.005788 -0.017329 32O 1f0 0.000926 0.000168 0.000011 -0.001093 -0.000121 0.000214 32O 1f+1 -0.000497 -0.000175 0.000186 -0.000409 0.000025 -0.000137 32O 1f-1 0.001033 0.000041 0.000216 -0.002032 -0.000644 0.001093 32O 1f+2 -0.000262 0.000344 -0.000209 0.000669 0.000663 0.000008 32O 1f-2 0.000843 0.000233 -0.000425 0.001257 -0.000770 0.001455 32O 1f+3 -0.000266 -0.000054 0.000166 -0.000328 0.000093 -0.000887 32O 1f-3 -0.000170 -0.000136 0.000192 -0.000696 0.000239 -0.000175 33O 1s -0.005188 0.007763 -0.003115 -0.002883 0.000392 -0.011909 33O 2s -0.013853 0.018327 -0.007465 -0.008396 0.000871 -0.030657 33O 3s 0.038034 -0.019031 0.009590 0.032691 -0.000615 0.072590 33O 4s -0.053034 -0.116299 0.029077 -0.115751 0.015232 -0.058154 33O 5s 1.251008 -0.274118 0.176092 0.976449 -0.085436 1.468031 33O 1pz 0.059338 -0.061547 -0.021164 0.013213 0.066710 0.008650 33O 1px 0.005946 0.045471 -0.025609 0.026562 0.003211 -0.030591 33O 1py 0.046157 -0.029018 0.044640 0.022586 0.044822 0.015396 33O 2pz 0.058934 -0.066049 -0.006497 0.031694 0.039929 0.030756 33O 2px -0.040472 0.045530 -0.029602 0.002048 0.004417 -0.060036 33O 2py 0.027034 -0.018859 0.061635 0.035238 0.027961 0.009205 33O 3pz 0.541361 -0.221153 -0.094153 0.133032 0.225142 0.257799 33O 3px -0.197529 0.326368 -0.152955 -0.175769 0.118085 -0.375333 33O 3py 0.280688 -0.075866 -0.059978 -0.017221 0.177676 0.056884 33O 1dz2 -0.000008 -0.000305 -0.000537 0.000262 -0.000624 -0.001038 33O 1dxz 0.000143 -0.000648 0.000357 0.003477 -0.000752 0.001691 33O 1dyz 0.000597 -0.000548 0.000292 0.000285 0.000292 -0.000370 33O 1dx2y2 0.000922 0.002134 -0.000997 -0.001672 0.000600 -0.002336 33O 1dxy 0.000930 0.000692 -0.001232 -0.000163 0.001223 0.000874 33O 2dz2 0.000222 -0.001101 -0.003917 0.005383 -0.001223 0.000136 33O 2dxz -0.034507 0.010268 -0.003569 -0.007723 0.003494 -0.020465 33O 2dyz 0.005440 -0.006766 0.005810 0.004554 -0.003785 0.000679 33O 2dx2y2 0.018976 -0.008226 -0.003646 0.003492 -0.001516 0.010070 33O 2dxy -0.002405 -0.000469 0.001428 -0.003804 0.000275 -0.003895 33O 1f0 -0.000653 -0.000205 -0.001032 -0.000492 0.000689 -0.000725 33O 1f+1 -0.000675 0.000678 0.000051 -0.000731 0.000111 -0.000707 33O 1f-1 0.000642 -0.000761 -0.000056 -0.000424 0.000638 -0.000276 33O 1f+2 0.001189 -0.000258 -0.000004 0.001067 -0.000795 0.001588 33O 1f-2 -0.000562 0.000926 -0.000771 -0.000221 0.000157 -0.000262 33O 1f+3 0.000658 -0.000267 -0.000236 0.000372 -0.000309 0.000288 33O 1f-3 -0.000272 -0.000357 -0.000088 -0.000651 0.000518 -0.000584 34O 1s 0.000818 0.003753 0.003566 -0.011953 -0.004269 0.006717 34O 2s 0.002770 0.009754 0.008531 -0.030186 -0.011935 0.016824 34O 3s -0.016896 -0.024647 -0.011048 0.061689 0.041864 -0.033326 34O 4s 0.072492 0.030387 -0.035310 -0.009448 -0.092046 -0.008325 34O 5s -0.686380 -0.661184 -0.175212 1.378994 1.119341 -0.461554 34O 1pz -0.007246 -0.025705 -0.030727 0.018711 0.023948 0.033701 34O 1px -0.027264 -0.009234 -0.021312 0.003602 0.008108 0.000167 34O 1py 0.001999 -0.005554 -0.017645 -0.033569 -0.065586 -0.025198 34O 2pz -0.001469 -0.032127 -0.026973 0.015038 0.015800 0.038202 34O 2px -0.031898 -0.021899 -0.028558 0.050697 0.027627 -0.017836 34O 2py -0.020097 0.007524 0.011957 -0.023485 -0.055352 -0.009400 34O 3pz -0.085740 -0.010742 0.027621 -0.040391 0.100821 0.111614 34O 3px -0.264124 -0.162210 -0.077699 0.506286 0.208503 -0.165168 34O 3py 0.228260 -0.020941 -0.213686 -0.207934 -0.280007 -0.130237 34O 1dz2 0.000449 -0.000757 -0.000845 0.002212 -0.002152 0.000103 34O 1dxz 0.001215 0.000255 -0.001891 0.000524 -0.000691 -0.001776 34O 1dyz 0.000784 0.000752 -0.000034 0.000629 -0.000228 -0.001164 34O 1dx2y2 -0.001474 -0.000092 -0.000262 -0.003393 0.000513 0.000644 34O 1dxy 0.000432 -0.000702 -0.000143 0.001538 0.000339 -0.000693 34O 2dz2 0.013508 0.006749 -0.006672 -0.018119 -0.010728 0.008130 34O 2dxz 0.001115 -0.000934 0.000189 -0.005345 -0.003838 0.005329 34O 2dyz 0.003590 0.005365 0.007188 0.007875 -0.000189 -0.004511 34O 2dx2y2 -0.012965 -0.005356 -0.002721 0.026225 0.016724 -0.012120 34O 2dxy 0.008876 0.002270 0.003245 -0.007068 -0.008952 0.001479 34O 1f0 0.000128 -0.000100 0.000059 0.000722 0.000143 -0.000393 34O 1f+1 0.000524 0.000170 -0.000310 -0.001366 -0.000480 0.000742 34O 1f-1 -0.000418 -0.000192 0.000399 0.000269 -0.000007 0.000300 34O 1f+2 0.000158 -0.000558 -0.000493 -0.000378 0.000024 0.000251 34O 1f-2 0.000417 0.000327 0.000403 0.000750 -0.000124 -0.000689 34O 1f+3 0.000137 0.000244 0.000691 -0.001570 -0.000231 0.000907 34O 1f-3 -0.001082 -0.000735 -0.000378 0.001087 0.000478 -0.000145 35O 1s 0.009457 0.011741 -0.004430 0.004573 0.008453 0.000669 35O 2s 0.024723 0.029576 -0.010973 0.012140 0.021150 0.002463 35O 3s -0.062111 -0.061753 0.019313 -0.034096 -0.041726 -0.015848 35O 4s 0.086276 0.002685 0.015525 0.051059 -0.015000 0.067630 35O 5s -1.589474 -1.059941 0.431894 -0.876118 -0.422323 -0.787269 35O 1pz -0.038247 -0.009277 -0.011304 -0.024167 0.001984 -0.064127 35O 1px 0.015780 -0.062541 0.002400 0.007658 0.018076 0.004470 35O 1py -0.020566 -0.006909 0.040924 -0.034143 0.010479 -0.012250 35O 2pz -0.029517 -0.041799 0.009907 -0.030152 -0.017276 -0.041517 35O 2px -0.035164 -0.068308 0.021897 -0.014917 -0.005697 -0.010928 35O 2py -0.047094 -0.034357 0.036048 -0.062463 -0.003961 0.002766 35O 3pz -0.109084 0.159473 -0.109118 -0.013560 0.246833 -0.377070 35O 3px -0.542098 -0.366339 0.133939 -0.023243 0.006574 -0.188073 35O 3py -0.230173 -0.012867 0.119313 0.024147 0.150892 -0.287992 35O 1dz2 -0.001203 -0.002265 -0.000299 0.000127 -0.000788 -0.000958 35O 1dxz -0.000884 -0.000591 -0.000478 0.000726 -0.000292 0.000811 35O 1dyz -0.000185 -0.000476 0.000019 -0.000478 0.001880 0.000412 35O 1dx2y2 0.002826 0.000860 -0.001983 -0.000789 0.001978 -0.001014 35O 1dxy 0.001423 0.001671 0.000309 0.000303 0.000794 -0.001123 35O 2dz2 0.018939 -0.004933 -0.009936 0.002954 0.002939 0.012849 35O 2dxz -0.004103 -0.002555 0.000496 -0.008122 -0.000984 -0.000935 35O 2dyz 0.004090 -0.013131 0.007769 -0.006229 0.003816 0.001810 35O 2dx2y2 -0.029214 -0.003480 0.003286 -0.002559 0.000866 -0.019222 35O 2dxy -0.027834 -0.004793 0.002453 -0.011234 0.002745 -0.013294 35O 1f0 0.000237 0.000873 -0.000556 0.000398 -0.000311 0.000155 35O 1f+1 0.001921 -0.000205 -0.000760 0.000210 0.000798 0.000182 35O 1f-1 0.000493 0.000735 -0.000628 0.000827 0.000873 -0.000127 35O 1f+2 -0.000545 -0.000648 -0.000367 -0.000674 -0.000537 0.000356 35O 1f-2 0.000232 -0.001495 0.000205 -0.000343 0.001373 -0.000195 35O 1f+3 0.001196 -0.000019 0.000326 -0.000030 0.000332 0.000585 35O 1f-3 0.001988 0.000893 -0.000293 0.000400 0.000090 0.000839 168 169 170 171 172 173 0.31601 0.31872 0.32113 0.32313 0.35225 0.36480 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s -0.000879 0.000452 0.000289 -0.000132 0.000039 -0.000922 0Rh 2s 0.003348 -0.001675 -0.001065 0.000668 -0.000200 0.002460 0Rh 3s -0.003039 0.001593 0.001020 -0.000353 0.000103 -0.003843 0Rh 4s -0.014831 0.007385 0.004699 -0.003055 0.000914 -0.010408 0Rh 5s 0.012611 -0.005696 -0.003661 0.004182 -0.001223 -0.000540 0Rh 6s 0.023845 -0.014629 -0.009076 -0.001724 0.000027 0.054525 0Rh 7s 0.128305 0.050491 0.011187 0.323508 -0.003313 -0.290925 0Rh 8s -0.517450 0.081161 0.144374 -0.640935 0.078713 1.122066 0Rh 1pz -0.009226 0.007320 0.004680 -0.000102 0.015166 -0.001262 0Rh 1px -0.004173 0.002568 -0.001068 0.000458 0.005042 0.001063 0Rh 1py -0.000622 -0.004301 0.010859 -0.011975 -0.002508 -0.011594 0Rh 2pz 0.032094 -0.025428 -0.016196 0.000359 -0.051993 0.004228 0Rh 2px 0.014508 -0.008975 0.003690 -0.001530 -0.017260 -0.003605 0Rh 2py 0.002105 0.014892 -0.037658 0.041768 0.008605 0.039258 0Rh 3pz -0.035826 0.027693 0.016435 -0.000423 0.043011 -0.001569 0Rh 3px -0.016057 0.010806 -0.003602 0.000390 0.013813 0.002322 0Rh 3py -0.001285 -0.015350 0.039760 -0.048525 -0.007292 -0.022984 0Rh 4pz -0.013514 0.013381 0.013229 -0.000539 0.080667 -0.013792 0Rh 4px -0.006722 0.000499 -0.003591 0.006502 0.028672 0.007312 0Rh 4py -0.004913 -0.011092 0.024705 -0.010364 -0.012513 -0.097997 0Rh 5pz -0.077003 0.050130 0.022076 0.002676 -0.002662 0.013683 0Rh 5px -0.031540 0.028622 -0.003729 -0.012528 -0.005966 0.003517 0Rh 5py 0.003481 -0.022830 0.065737 -0.118733 -0.000742 0.083423 0Rh 6pz 1.872174 -0.997433 -0.558336 0.090558 -0.337142 -0.096912 0Rh 6px 0.709109 -0.538299 0.036477 -0.158243 -0.054951 -0.372354 0Rh 6py -0.093352 0.578016 -1.263613 2.521525 0.037568 -0.597045 0Rh 1dz2 -0.015201 -0.005624 -0.007816 0.000098 -0.024604 0.003443 0Rh 1dxz 0.031222 0.007710 0.011134 0.004805 0.039233 -0.014245 0Rh 1dyz 0.005959 0.005761 -0.004405 -0.010005 0.008458 0.014375 0Rh 1dx2y2 0.010006 0.007489 -0.001063 -0.012109 0.017406 0.017507 0Rh 1dxy -0.001779 -0.010743 0.013178 0.034337 -0.005501 -0.047960 0Rh 2dz2 -0.000022 0.000560 0.000786 -0.000077 0.001289 -0.000598 0Rh 2dxz -0.000899 -0.001182 -0.001027 0.000192 -0.001262 -0.000041 0Rh 2dyz -0.000263 -0.000525 0.000744 -0.000060 -0.000412 -0.000619 0Rh 2dx2y2 -0.000151 -0.000987 0.000322 -0.000127 -0.000382 0.000343 0Rh 2dxy -0.000048 0.000861 -0.001511 -0.000607 0.000360 0.002056 0Rh 3dz2 0.027514 0.007826 0.010938 0.000230 0.039511 -0.003911 0Rh 3dxz -0.052734 -0.009122 -0.016028 -0.009577 -0.066435 0.026422 0Rh 3dyz -0.009584 -0.008221 0.004853 0.018336 -0.013728 -0.023638 0Rh 3dx2y2 -0.017431 -0.009410 0.000574 0.022301 -0.030034 -0.033336 0Rh 3dxy 0.003265 0.015809 -0.017646 -0.059421 0.008315 0.079071 0Rh 4dz2 0.019623 0.014758 0.020226 -0.001276 0.047456 -0.012605 0Rh 4dxz -0.052372 -0.024979 -0.027376 -0.003434 -0.065157 0.016067 0Rh 4dyz -0.012055 -0.014284 0.015641 0.010890 -0.015105 -0.025771 0Rh 4dx2y2 -0.015093 -0.022519 0.005554 0.013370 -0.026847 -0.015774 0Rh 4dxy 0.001459 0.024769 -0.036051 -0.053088 0.011892 0.085437 0Rh 5dz2 0.068061 -0.017314 -0.016413 0.006840 0.040306 0.021214 0Rh 5dxz -0.076940 0.040089 0.016188 -0.037945 -0.110701 0.075404 0Rh 5dyz 0.001259 0.012079 -0.030266 0.071002 -0.032932 -0.035412 0Rh 5dx2y2 -0.034748 0.033846 -0.014617 0.074823 -0.061302 -0.113072 0Rh 5dxy 0.013843 -0.006128 0.035029 -0.101716 -0.002002 0.122113 0Rh 1f0 0.000676 -0.003359 0.003783 -0.003728 -0.004050 -0.005084 0Rh 1f+1 -0.004883 0.001697 0.001275 -0.001987 0.002995 -0.000525 0Rh 1f-1 -0.005387 0.002485 0.009837 -0.005404 0.005575 -0.006195 0Rh 1f+2 0.006670 -0.007790 -0.001215 -0.001361 -0.009944 0.000487 0Rh 1f-2 0.002098 -0.003354 0.006755 -0.006505 -0.000788 -0.004062 0Rh 1f+3 -0.004181 0.004661 -0.002369 0.002802 0.005517 0.003507 0Rh 1f-3 0.000124 -0.000610 0.004099 -0.003754 -0.001973 -0.000213 1Rh 1s -0.000933 -0.000461 -0.000288 -0.000127 -0.000036 0.000618 1Rh 2s 0.003519 0.001702 0.001068 0.000648 0.000200 -0.001308 1Rh 3s -0.003249 -0.001629 -0.001015 -0.000336 -0.000087 0.002786 1Rh 4s -0.015570 -0.007505 -0.004715 -0.002968 -0.000920 0.005308 1Rh 5s 0.012916 0.005733 0.003714 0.004104 0.001326 0.004628 1Rh 6s 0.026300 0.015098 0.008949 -0.001847 -0.000415 -0.044734 1Rh 7s 0.110815 -0.055145 -0.012118 0.323270 0.011709 0.237287 1Rh 8s -0.443166 -0.074258 -0.141726 -0.642397 -0.091174 -1.111212 1Rh 1pz 0.009293 0.007322 0.004631 -0.000053 0.015033 -0.001856 1Rh 1px 0.004310 0.002456 -0.001049 -0.000536 0.005019 -0.000386 1Rh 1py 0.000146 -0.004151 0.010722 0.012166 -0.002333 -0.011688 1Rh 2pz -0.032330 -0.025433 -0.016025 0.000179 -0.051527 0.006291 1Rh 2px -0.014986 -0.008589 0.003623 0.001800 -0.017181 0.001416 1Rh 2py -0.000464 0.014367 -0.037179 -0.042430 0.007992 0.039578 1Rh 3pz 0.036097 0.027675 0.016235 -0.000144 0.042458 -0.003811 1Rh 3px 0.016610 0.010487 -0.003523 -0.000679 0.013761 -0.002862 1Rh 3py -0.000285 -0.014725 0.039222 0.049246 -0.006531 -0.023203 1Rh 4pz 0.013582 0.013474 0.013184 0.000181 0.080606 -0.015009 1Rh 4px 0.006830 -0.000095 -0.003572 -0.006663 0.028482 0.003499 1Rh 4py 0.003197 -0.011012 0.024521 0.010715 -0.012541 -0.098671 1Rh 5pz 0.077599 0.049930 0.021671 -0.003646 -0.004166 0.009499 1Rh 5px 0.032993 0.028657 -0.003628 0.011989 -0.005730 -0.004518 1Rh 5py -0.005110 -0.021286 0.064516 0.120041 0.001428 0.083834 1Rh 6pz -1.887040 -0.993087 -0.547634 -0.073326 -0.316296 0.029647 1Rh 6px -0.722975 -0.529375 0.035440 0.168161 -0.050207 -0.277940 1Rh 6py 0.123035 0.542346 -1.236815 -2.546326 0.000846 -0.601233 1Rh 1dz2 -0.015467 0.005659 0.008101 -0.000057 0.024862 -0.002818 1Rh 1dxz 0.031101 -0.007756 -0.011242 0.005021 -0.039328 0.012609 1Rh 1dyz 0.005802 -0.006000 0.004396 -0.009924 -0.008610 -0.014952 1Rh 1dx2y2 0.009912 -0.007724 0.001238 -0.011962 -0.017460 -0.017776 1Rh 1dxy -0.001376 0.011329 -0.013575 0.034056 0.005695 0.048044 1Rh 2dz2 -0.000020 -0.000558 -0.000804 -0.000053 -0.001321 0.000505 1Rh 2dxz -0.000901 0.001188 0.001018 0.000177 0.001275 0.000154 1Rh 2dyz -0.000255 0.000538 -0.000733 -0.000080 0.000400 0.000596 1Rh 2dx2y2 -0.000105 0.000986 -0.000332 -0.000141 0.000365 -0.000305 1Rh 2dxy -0.000041 -0.000867 0.001524 -0.000571 -0.000377 -0.002081 1Rh 3dz2 0.027989 -0.007899 -0.011384 0.000412 -0.039847 0.003158 1Rh 3dxz -0.052505 0.009180 0.016263 -0.009906 0.066551 -0.023886 1Rh 3dyz -0.009337 0.008599 -0.004883 0.018269 0.014058 0.024788 1Rh 3dx2y2 -0.017451 0.009838 -0.000849 0.022096 0.030200 0.033657 1Rh 3dxy 0.002507 -0.016841 0.018313 -0.059064 -0.008597 -0.079122 1Rh 4dz2 0.019947 -0.014770 -0.020815 -0.000766 -0.048188 0.010501 1Rh 4dxz -0.052280 0.025116 0.027401 -0.003906 0.065460 -0.012713 1Rh 4dyz -0.011723 0.014759 -0.015473 0.010549 0.015069 0.026077 1Rh 4dx2y2 -0.014326 0.022808 -0.005895 0.012989 0.026685 0.016761 1Rh 4dxy 0.001083 -0.025615 0.036730 -0.052264 -0.012374 -0.085820 1Rh 5dz2 0.069855 0.016998 0.016159 0.006053 -0.039791 -0.016936 1Rh 5dxz -0.075880 -0.040208 -0.015198 -0.037950 0.110269 -0.070721 1Rh 5dyz 0.001485 -0.011891 0.029340 0.071590 0.035513 0.040656 1Rh 5dx2y2 -0.037640 -0.032805 0.014172 0.075180 0.062922 0.108562 1Rh 5dxy 0.010837 0.004039 -0.034159 -0.102753 0.002320 -0.122405 1Rh 1f0 -0.000782 -0.003299 0.003708 0.003852 -0.003946 -0.004680 1Rh 1f+1 0.004887 0.001704 0.001239 0.001941 0.003025 -0.000553 1Rh 1f-1 0.005264 0.002569 0.009761 0.005453 0.005574 -0.006198 1Rh 1f+2 -0.006832 -0.007765 -0.001193 0.001516 -0.009828 0.000672 1Rh 1f-2 -0.002336 -0.003242 0.006680 0.006624 -0.000772 -0.004256 1Rh 1f+3 0.004287 0.004571 -0.002392 -0.002938 0.005513 0.003288 1Rh 1f-3 -0.000361 -0.000517 0.004050 0.003835 -0.001994 -0.000171 2C 1s -0.002003 -0.009599 -0.017328 0.000800 0.004666 -0.010215 2C 2s -0.005043 -0.020827 -0.037821 0.001297 0.009401 -0.019613 2C 3s 0.029257 0.020810 0.034057 0.014761 -0.000378 -0.042992 2C 4s -0.086879 0.271651 0.501038 -0.120580 -0.177618 0.680767 2C 5s 1.033083 -2.496865 -3.869203 1.170548 3.787020 -5.413023 2C 1pz 0.026964 0.037642 0.097132 0.003529 0.029506 -0.009962 2C 1px 0.018598 -0.001352 0.005653 0.008815 -0.000482 0.006500 2C 1py 0.018923 0.053678 0.059301 0.013455 -0.007854 -0.025755 2C 2pz 0.020713 -0.018552 0.044987 -0.005721 0.185931 -0.122750 2C 2px 0.007084 -0.005591 -0.043780 -0.007757 -0.014610 -0.028265 2C 2py 0.002180 0.015651 0.015432 0.024702 0.066488 -0.119473 2C 3pz 0.523701 -0.281694 -1.189058 0.417841 0.387200 -0.990375 2C 3px -0.793945 0.336361 0.385447 -0.731309 0.488832 -0.175240 2C 3py -0.155820 -0.977977 -0.515571 0.083263 0.861548 0.086647 2C 1dz2 -0.003444 -0.001739 0.002511 -0.003558 0.004857 0.002373 2C 1dxz 0.006031 0.001747 -0.000227 0.003558 -0.000611 -0.003131 2C 1dyz 0.000091 0.000091 -0.000900 0.000171 0.001027 -0.003324 2C 1dx2y2 0.002159 -0.002311 -0.001591 0.000856 0.000527 0.002976 2C 1dxy 0.002850 -0.003182 -0.001129 0.005091 -0.000917 -0.001635 2C 2dz2 -0.028960 -0.058407 -0.041783 -0.015929 0.035518 0.021255 2C 2dxz 0.002735 -0.055115 -0.046860 0.015409 0.011975 0.003276 2C 2dyz -0.037334 -0.023672 -0.070931 -0.019125 0.007010 -0.028086 2C 2dx2y2 -0.003814 0.012135 0.057759 0.001633 0.003654 0.017035 2C 2dxy 0.005153 0.012990 -0.011944 -0.001639 -0.002206 -0.008013 2C 1f0 -0.001384 -0.002477 0.001510 -0.000027 -0.000834 0.000678 2C 1f+1 -0.000899 0.000545 -0.002861 -0.001302 -0.000755 -0.001969 2C 1f-1 -0.002555 -0.001541 -0.001920 -0.001332 -0.000277 0.003173 2C 1f+2 0.001817 -0.001852 -0.000795 0.001779 0.000723 -0.004053 2C 1f-2 -0.002137 -0.001048 0.002288 -0.001452 -0.000537 0.004811 2C 1f+3 -0.001497 -0.004749 -0.004212 0.000230 0.001595 -0.003018 2C 1f-3 -0.000584 0.001171 -0.002420 -0.000835 0.000142 -0.001594 3C 1s 0.005854 -0.018075 0.009293 0.005302 0.004046 0.010263 3C 2s 0.012090 -0.039262 0.020145 0.012009 0.007030 0.021377 3C 3s 0.009592 0.031571 -0.022766 -0.019818 0.032608 -0.014623 3C 4s -0.293664 0.541296 -0.248398 -0.070050 -0.355837 -0.341990 3C 5s 0.873570 -4.399553 2.207531 -0.574350 3.727550 5.114707 3C 1pz -0.011048 0.056497 -0.052300 -0.000704 0.036147 -0.020552 3C 1px 0.005927 0.023604 -0.020861 -0.017099 0.022759 -0.009800 3C 1py 0.022664 -0.091718 0.047326 0.012264 -0.022327 0.002199 3C 2pz -0.001767 0.037114 -0.020035 0.006460 0.097058 0.106616 3C 2px 0.026224 -0.026871 0.009000 -0.000206 0.090405 0.009911 3C 2py 0.033618 -0.014651 0.004718 -0.004815 -0.095508 -0.183005 3C 3pz 0.490630 -0.686417 1.044190 -0.178381 -0.266166 0.848665 3C 3px -0.770559 -0.108642 -0.004566 0.880134 0.046561 0.680634 3C 3py -0.171793 1.180712 -0.160329 0.293461 -0.861901 -0.650984 3C 1dz2 -0.002582 -0.000903 -0.004011 0.001747 0.001788 -0.002685 3C 1dxz 0.002322 0.000126 -0.000668 -0.002295 0.003593 -0.002691 3C 1dyz 0.001342 0.000274 -0.002019 -0.002422 -0.000197 -0.003840 3C 1dx2y2 0.005446 -0.001724 0.002119 -0.001730 0.000323 -0.004453 3C 1dxy -0.004305 0.000530 0.000294 0.007466 -0.003417 0.000534 3C 2dz2 -0.003187 -0.009455 -0.017403 -0.000450 0.018214 -0.028560 3C 2dxz 0.010090 -0.051341 0.021125 -0.004965 0.003746 0.017412 3C 2dyz 0.004329 0.062528 -0.003748 -0.021673 -0.007121 -0.027160 3C 2dx2y2 -0.011061 0.058675 -0.070988 -0.016213 0.032160 -0.061669 3C 2dxy -0.023863 0.045757 -0.050501 -0.007639 0.001948 -0.027912 3C 1f0 -0.002632 0.001655 -0.005405 -0.002110 0.001987 -0.003381 3C 1f+1 -0.001357 -0.000794 -0.001919 0.000100 0.000625 -0.001240 3C 1f-1 -0.001069 0.003597 0.001768 -0.000046 -0.000212 -0.002172 3C 1f+2 0.002043 -0.003403 0.000789 0.001585 0.004250 0.000713 3C 1f-2 0.002312 -0.000449 0.000115 -0.000731 0.002060 0.000639 3C 1f+3 -0.000725 -0.003463 0.000581 0.001421 -0.000270 0.001256 3C 1f-3 -0.000677 0.002920 -0.000634 0.000205 -0.001182 0.000704 4C 1s 0.002954 0.017394 0.038342 0.001724 0.007239 -0.015912 4C 2s 0.007242 0.039324 0.086168 0.003441 0.016116 -0.033985 4C 3s -0.074987 -0.069597 -0.123047 -0.006895 -0.001246 -0.031666 4C 4s 0.390240 -0.250519 -0.784922 -0.039845 -0.265791 0.828618 4C 5s -0.130483 0.780241 0.886738 -0.047945 -2.100870 1.746009 4C 1pz 0.025694 0.022197 -0.040003 0.017559 -0.031022 0.033595 4C 1px -0.019466 0.019273 -0.022917 -0.010515 -0.021335 -0.007364 4C 1py 0.004970 -0.059583 -0.015417 -0.005527 0.007416 0.046111 4C 2pz 0.047782 0.055510 -0.194669 0.009866 -0.238178 0.132967 4C 2px -0.012996 0.048718 -0.069684 -0.070898 0.114702 0.088168 4C 2py 0.017605 -0.234170 -0.054491 -0.050619 0.090694 0.325283 4C 3pz 0.031643 -1.598176 -1.644786 0.184652 2.267873 -1.628444 4C 3px 2.124994 -0.640865 -0.748521 1.912506 0.135059 -0.576176 4C 3py 0.917758 -0.016331 -1.569466 0.829559 0.793647 -2.008368 4C 1dz2 0.003291 -0.000077 -0.003589 0.002876 0.000941 -0.006536 4C 1dxz -0.005123 -0.006231 -0.008374 -0.001655 0.009683 0.000249 4C 1dyz 0.003167 0.005198 0.011652 0.000700 0.003848 -0.002084 4C 1dx2y2 0.000173 0.009853 0.016026 0.000165 -0.004908 0.008267 4C 1dxy 0.000114 0.005623 0.011968 -0.006680 0.003932 0.006545 4C 2dz2 0.014042 0.054103 0.049281 0.032609 -0.135644 -0.042875 4C 2dxz -0.045288 0.027194 0.029334 -0.044056 -0.010809 0.016053 4C 2dyz 0.043175 0.047241 0.083499 0.018020 -0.025278 0.097696 4C 2dx2y2 0.033863 -0.003387 -0.034710 0.009621 0.011243 -0.078886 4C 2dxy 0.010816 0.004546 0.019016 -0.021747 0.030018 0.031727 4C 1f0 -0.004155 0.000439 -0.000215 -0.001386 0.000734 -0.005222 4C 1f+1 -0.004655 -0.002450 0.002573 0.000078 0.003631 -0.008186 4C 1f-1 -0.001960 -0.002605 -0.004662 0.000364 0.002106 -0.004662 4C 1f+2 0.008713 0.003629 -0.000592 0.004888 -0.010021 0.002751 4C 1f-2 -0.000803 0.002590 -0.002399 -0.001357 0.002326 -0.001754 4C 1f+3 0.004062 -0.002051 -0.000200 0.004712 -0.004196 -0.001254 4C 1f-3 -0.001374 0.002527 0.000467 0.004450 -0.001928 -0.010248 5C 1s -0.005560 0.038882 -0.017463 -0.001352 0.013520 0.008236 5C 2s -0.012925 0.087058 -0.039880 -0.003699 0.030032 0.016804 5C 3s 0.061322 -0.116378 0.082412 0.052706 -0.025150 0.078675 5C 4s -0.215519 -0.865913 0.165027 -0.361909 -0.360221 -0.821538 5C 5s -0.145606 1.219952 -0.459458 0.493546 -1.640828 -2.358225 5C 1pz 0.008390 -0.000725 0.041101 -0.020215 -0.039050 -0.009529 5C 1px -0.006060 -0.009971 0.020835 0.022307 0.001468 -0.028343 5C 1py -0.013949 0.052442 0.026353 0.003861 0.002868 0.063881 5C 2pz -0.008782 -0.016638 0.186556 -0.068566 -0.180171 -0.018101 5C 2px -0.030247 0.007057 0.066640 0.077393 -0.278590 0.003680 5C 2py 0.009151 0.231766 0.045568 0.039587 0.012181 0.296809 5C 3pz -0.590517 -1.551630 -0.161806 0.511251 1.474000 1.062958 5C 3px 1.797467 -1.024575 0.456129 -2.285055 0.753037 0.361171 5C 3py 0.220671 1.945351 -1.448167 -0.096234 -1.205181 -2.763866 5C 1dz2 0.006666 -0.011828 0.008475 0.001386 0.002793 0.002418 5C 1dxz -0.001198 -0.008410 0.005006 0.001569 -0.000634 0.009326 5C 1dyz 0.003545 -0.013978 0.008416 0.006842 -0.007114 0.004826 5C 1dx2y2 -0.008019 0.014095 -0.007903 0.000771 -0.008457 -0.007329 5C 1dxy 0.003025 -0.000500 0.000734 -0.004692 0.002883 -0.008045 5C 2dz2 0.039443 -0.007400 0.021167 0.003748 -0.051945 0.077641 5C 2dxz 0.011290 0.046460 -0.009268 0.036093 -0.074582 -0.000496 5C 2dyz 0.020730 -0.073019 0.043974 0.062659 0.032004 0.064143 5C 2dx2y2 -0.060158 -0.049385 0.043950 0.020679 -0.034987 0.130913 5C 2dxy 0.018773 -0.066061 0.039983 -0.043928 0.073764 0.042944 5C 1f0 -0.000435 0.004941 -0.002145 0.005999 -0.003967 0.001891 5C 1f+1 0.007476 -0.000173 -0.001943 -0.001806 0.006520 0.003350 5C 1f-1 -0.000687 -0.001048 -0.003039 0.000901 0.001783 -0.003544 5C 1f+2 0.002540 0.004354 0.000575 -0.004358 0.000057 -0.004822 5C 1f-2 -0.001716 -0.000945 -0.002167 -0.007368 0.002259 -0.011667 5C 1f+3 0.007711 -0.000892 0.002004 -0.001376 0.006565 0.008368 5C 1f-3 -0.005249 -0.002047 -0.003547 -0.004810 -0.003887 -0.010268 6C 1s -0.005482 -0.038907 0.017407 -0.000472 -0.013528 -0.011183 6C 2s -0.012811 -0.087105 0.039761 -0.001709 -0.030093 -0.023221 6C 3s 0.063092 0.116480 -0.082704 0.049267 0.028174 -0.066345 6C 4s -0.231324 0.864444 -0.160718 -0.375543 0.338744 0.860342 6C 5s -0.083486 -1.220129 0.450282 0.522132 1.638864 2.080375 6C 1pz -0.006129 -0.000590 0.040532 0.020769 -0.038254 -0.011985 6C 1px 0.006529 -0.010318 0.021082 -0.022215 0.001259 -0.033595 6C 1py 0.014354 0.052225 0.026192 -0.004440 0.002236 0.065536 6C 2pz 0.015579 -0.016302 0.185143 0.070560 -0.177277 -0.023605 6C 2px 0.031539 0.006358 0.067119 -0.074791 -0.278638 -0.000900 6C 2py -0.006172 0.231179 0.046194 -0.041761 0.009023 0.296816 6C 3pz 0.584645 -1.561123 -0.160848 -0.485527 1.472598 1.019325 6C 3px -1.784657 -0.975737 0.441693 2.293226 0.775922 0.405211 6C 3py -0.254173 1.945047 -1.439467 0.042895 -1.217337 -2.685042 6C 1dz2 0.006679 0.011803 -0.008503 0.001107 -0.002676 -0.001575 6C 1dxz -0.001071 0.008468 -0.004993 0.001282 0.000683 -0.008459 6C 1dyz 0.003830 0.014065 -0.008423 0.006413 0.007293 -0.004360 6C 1dx2y2 -0.008021 -0.014014 0.007873 0.001049 0.008395 0.006243 6C 1dxy 0.002967 0.000409 -0.000713 -0.004597 -0.002835 0.008222 6C 2dz2 0.038962 0.007511 -0.021376 0.003040 0.053015 -0.066851 6C 2dxz 0.010356 -0.045928 0.008777 0.036570 0.075813 0.007257 6C 2dyz 0.022033 0.073483 -0.044266 0.060530 -0.029446 -0.055467 6C 2dx2y2 -0.060582 0.049169 -0.043806 0.019035 0.034506 -0.140655 6C 2dxy 0.018395 0.065223 -0.039701 -0.044850 -0.074205 -0.044153 6C 1f0 0.000323 0.004838 -0.002078 -0.006000 -0.004124 0.001557 6C 1f+1 -0.007507 -0.000114 -0.001930 0.001750 0.006408 0.002737 6C 1f-1 0.000618 -0.001044 -0.003026 -0.000925 0.001782 -0.003353 6C 1f+2 -0.002430 0.004411 0.000519 0.004255 0.000155 -0.004389 6C 1f-2 0.001728 -0.000866 -0.002205 0.007278 0.002504 -0.010782 6C 1f+3 -0.007665 -0.000829 0.002001 0.001411 0.006407 0.007450 6C 1f-3 0.005366 -0.001996 -0.003574 0.004769 -0.003611 -0.009100 7C 1s 0.002482 -0.017356 -0.038342 0.001650 -0.007202 0.013016 7C 2s 0.006208 -0.039233 -0.086168 0.003284 -0.016019 0.027946 7C 3s -0.073723 0.069431 0.122972 -0.007447 -0.000774 0.023229 7C 4s 0.402351 0.251020 0.785520 -0.032701 0.276790 -0.645005 7C 5s -0.193099 -0.784023 -0.883389 -0.058967 2.100820 -1.970905 7C 1pz -0.027256 0.022355 -0.039968 -0.018416 -0.031710 0.026048 7C 1px 0.019338 0.019145 -0.023300 0.010301 -0.021388 -0.016169 7C 1py -0.003967 -0.059430 -0.015257 0.006096 0.006952 0.036282 7C 2pz -0.053506 0.056991 -0.194526 -0.011620 -0.240341 0.112557 7C 2px 0.016735 0.049863 -0.070257 0.067058 0.113340 0.078529 7C 2py -0.012571 -0.233314 -0.055459 0.052902 0.089979 0.302691 7C 3pz -0.090752 -1.593979 -1.641336 -0.190974 2.243728 -1.840850 7C 3px -2.077099 -0.660776 -0.713806 -1.904108 0.121491 -0.487257 7C 3py -0.960112 -0.027766 -1.569249 -0.852643 0.777578 -2.091426 7C 1dz2 0.003276 0.000128 0.003535 0.002824 -0.000937 0.007348 7C 1dxz -0.004858 0.006139 0.008406 -0.001511 -0.009598 -0.000321 7C 1dyz 0.003150 -0.005137 -0.011657 0.000721 -0.003764 0.003070 7C 1dx2y2 -0.000049 -0.009826 -0.016042 0.000148 0.005005 -0.008829 7C 1dxy 0.000087 -0.005709 -0.011861 -0.006585 -0.003943 -0.007129 7C 2dz2 0.014033 -0.053153 -0.049179 0.032343 0.135414 0.044769 7C 2dxz -0.046621 -0.027468 -0.028666 -0.043365 0.010129 -0.017943 7C 2dyz 0.041203 -0.047609 -0.083745 0.018376 0.027175 -0.093191 7C 2dx2y2 0.034475 0.003212 0.035256 0.010244 -0.009610 0.078693 7C 2dxy 0.009835 -0.005068 -0.018756 -0.021343 -0.029118 -0.031552 7C 1f0 0.004035 0.000494 -0.000189 0.001378 0.000789 -0.004813 7C 1f+1 0.004598 -0.002460 0.002645 0.000005 0.003823 -0.007158 7C 1f-1 0.001796 -0.002618 -0.004649 -0.000344 0.002156 -0.004659 7C 1f+2 -0.008711 0.003585 -0.000514 -0.004913 -0.010209 0.002151 7C 1f-2 0.000805 0.002615 -0.002403 0.001304 0.002361 -0.001677 7C 1f+3 -0.004083 -0.002087 -0.000110 -0.004562 -0.004181 -0.001300 7C 1f-3 0.001350 0.002448 0.000507 -0.004386 -0.001749 -0.009360 8C 1s 0.005869 0.018092 -0.009302 0.004830 -0.003706 -0.008896 8C 2s 0.012121 0.039304 -0.020165 0.010994 -0.006309 -0.018430 8C 3s 0.009541 -0.031627 0.022664 -0.019280 -0.032599 0.013243 8C 4s -0.293636 -0.541680 0.249126 -0.054172 0.342800 0.290311 8C 5s 0.828323 4.389618 -2.193095 -0.684295 -3.712287 -4.826604 8C 1pz 0.011004 0.056391 -0.052108 -0.001033 0.036493 -0.015959 8C 1px -0.006249 0.023679 -0.020857 0.016220 0.023226 -0.007899 8C 1py -0.024100 -0.092065 0.047367 -0.010059 -0.023087 -0.001621 8C 2pz 0.002066 0.036830 -0.020489 -0.007469 0.097208 0.114518 8C 2px -0.026037 -0.027217 0.009174 -0.000257 0.089941 0.007050 8C 2py -0.035533 -0.015728 0.004798 0.004910 -0.095135 -0.181957 8C 3pz -0.481770 -0.677004 1.038302 0.203036 -0.264775 0.799852 8C 3px 0.794629 -0.122689 -0.006144 -0.866530 0.047564 0.648505 8C 3py 0.167218 1.176757 -0.159524 -0.311859 -0.860832 -0.585870 8C 1dz2 -0.002509 0.000940 0.004004 0.001786 -0.001779 0.002702 8C 1dxz 0.002187 -0.000181 0.000628 -0.002241 -0.003613 0.002599 8C 1dyz 0.001187 -0.000347 0.001982 -0.002349 0.000191 0.003978 8C 1dx2y2 0.005491 0.001656 -0.002073 -0.001768 -0.000308 0.004322 8C 1dxy -0.004248 -0.000387 -0.000351 0.007398 0.003484 -0.000601 8C 2dz2 -0.003128 0.009481 0.017335 -0.000500 -0.018432 0.027367 8C 2dxz 0.011577 0.051224 -0.020779 -0.005984 -0.003324 -0.014443 8C 2dyz 0.003706 -0.062603 0.004092 -0.020452 0.006125 0.023892 8C 2dx2y2 -0.010813 -0.058961 0.070488 -0.013955 -0.032664 0.058360 8C 2dxy -0.024500 -0.045522 0.050690 -0.006345 -0.002709 0.024803 8C 1f0 0.002668 0.001697 -0.005399 0.001981 0.002101 -0.003143 8C 1f+1 0.001353 -0.000880 -0.001808 -0.000154 0.000665 -0.001156 8C 1f-1 0.001139 0.003565 0.001769 -0.000026 -0.000142 -0.001928 8C 1f+2 -0.002035 -0.003391 0.000845 -0.001475 0.004104 0.000423 8C 1f-2 -0.002361 -0.000518 0.000110 0.000766 0.002043 0.000601 8C 1f+3 0.000562 -0.003502 0.000602 -0.001383 -0.000300 0.001050 8C 1f-3 0.000588 0.002854 -0.000650 -0.000274 -0.001149 0.000790 9C 1s -0.001735 0.009604 0.017294 0.000818 -0.004787 0.009599 9C 2s -0.004468 0.020812 0.037748 0.001322 -0.009663 0.018362 9C 3s 0.028792 -0.020064 -0.034118 0.015219 0.000614 0.041798 9C 4s -0.095008 -0.276090 -0.499250 -0.124022 0.181322 -0.651329 9C 5s 1.139626 2.513165 3.856396 1.198836 -3.766349 5.588457 9C 1pz -0.025789 0.037449 0.097421 -0.003593 0.028789 -0.012829 9C 1px -0.018727 -0.001745 0.005737 -0.008575 -0.000428 0.003382 9C 1py -0.018877 0.053472 0.059038 -0.013583 -0.008316 -0.026721 9C 2pz -0.022574 -0.018180 0.045906 0.004873 0.185323 -0.122441 9C 2px -0.007555 -0.007191 -0.044025 0.008806 -0.012992 -0.045016 9C 2py -0.002926 0.015670 0.014661 -0.023531 0.065558 -0.119819 9C 3pz -0.547923 -0.285073 -1.192417 -0.426790 0.374260 -1.049885 9C 3px 0.757230 0.348374 0.375249 0.727019 0.488506 -0.230353 9C 3py 0.144574 -0.971883 -0.502952 -0.078372 0.866353 0.012993 9C 1dz2 -0.003353 0.001733 -0.002431 -0.003541 -0.004857 -0.002350 9C 1dxz 0.005895 -0.001646 0.000180 0.003504 0.000586 0.003469 9C 1dyz 0.000119 -0.000157 0.000882 0.000182 -0.001026 0.003026 9C 1dx2y2 0.002125 0.002182 0.001619 0.000819 -0.000482 -0.003234 9C 1dxy 0.002725 0.003245 0.001024 0.005022 0.000923 0.001606 9C 2dz2 -0.028384 0.057860 0.041496 -0.016510 -0.036100 -0.023764 9C 2dxz 0.002342 0.054814 0.046427 0.015019 -0.011659 -0.003303 9C 2dyz -0.036331 0.024401 0.071137 -0.019237 -0.008385 0.024648 9C 2dx2y2 -0.004827 -0.011318 -0.058381 0.001063 -0.003687 -0.015208 9C 2dxy 0.004996 -0.012636 0.011943 -0.001356 0.001879 0.006557 9C 1f0 0.001451 -0.002531 0.001563 0.000116 -0.000792 0.000451 9C 1f+1 0.000864 0.000533 -0.002845 0.001293 -0.000741 -0.002126 9C 1f-1 0.002525 -0.001463 -0.001975 0.001356 -0.000233 0.003602 9C 1f+2 -0.001832 -0.001841 -0.000898 -0.001817 0.000704 -0.003814 9C 1f-2 0.002199 -0.001020 0.002201 0.001489 -0.000546 0.004426 9C 1f+3 0.001508 -0.004786 -0.004102 -0.000190 0.001652 -0.002459 9C 1f-3 0.000552 0.000951 -0.002601 0.000790 0.000278 -0.001899 10H 1s -0.015748 -0.007723 -0.006998 -0.013190 0.010084 0.004085 10H 2s -0.015865 -0.097276 -0.079949 -0.005871 0.049647 0.067832 10H 3s 0.282780 0.067990 -0.085728 0.232178 -0.657106 0.630658 10H 1pz 0.012791 -0.001595 -0.004694 0.009320 0.000139 -0.006062 10H 1px 0.002796 0.009677 0.007908 0.001311 -0.008174 0.001985 10H 1py 0.003963 -0.007310 -0.000402 0.007668 0.001821 0.002562 11H 1s 0.008901 -0.001704 -0.004224 -0.001428 0.011146 -0.001245 11H 2s 0.028040 0.148771 -0.033693 -0.065540 0.000487 -0.062554 11H 3s -0.128173 0.476212 0.573616 -0.245704 -0.327374 0.518409 11H 1pz -0.000653 0.012971 -0.005885 -0.002000 -0.007726 -0.013835 11H 1px -0.001122 0.007390 -0.001418 -0.001746 -0.000679 -0.009164 11H 1py -0.005858 0.003424 0.004416 -0.001754 -0.004873 0.001478 12H 1s 0.004266 -0.001180 -0.011525 0.013739 -0.008133 -0.019193 12H 2s -0.069620 -0.093861 -0.022587 0.038649 -0.019497 -0.039544 12H 3s -0.328489 0.172758 0.583105 -0.247464 0.027367 1.092919 12H 1pz -0.006031 -0.002307 0.008133 -0.009143 0.008607 0.014225 12H 1px -0.004130 0.000659 0.001710 -0.004195 0.001758 -0.004959 12H 1py -0.003015 -0.014335 -0.003490 0.001485 0.007475 -0.000601 13H 1s -0.011375 -0.008908 0.004380 0.024145 -0.006949 0.015102 13H 2s 0.018529 -0.046924 0.093013 0.099479 -0.109726 0.129352 13H 3s 0.249551 0.126956 0.060200 -0.263209 -0.455207 -0.726792 13H 1pz 0.007522 -0.002985 0.012006 -0.000370 -0.003647 0.011887 13H 1px 0.002331 0.007059 -0.003759 -0.004438 0.000580 -0.010374 13H 1py -0.008946 0.000505 -0.000411 0.011793 -0.003711 -0.000677 14H 1s 0.018525 -0.012455 0.005389 -0.002517 0.016606 -0.009507 14H 2s 0.095655 -0.027928 0.096260 0.079053 0.035126 -0.053644 14H 3s -0.397507 0.485276 -0.227025 0.388100 -0.736560 -0.164475 14H 1pz 0.005248 -0.000654 0.012042 0.002508 -0.006512 0.008271 14H 1px 0.002802 -0.002960 0.005426 0.003482 0.004159 0.002183 14H 1py 0.011450 -0.007776 0.001919 -0.009111 0.009706 -0.006131 15H 1s -0.002358 -0.004888 -0.002208 -0.004233 0.002144 0.010453 15H 2s -0.055935 -0.067154 -0.169715 0.009366 0.070750 -0.041648 15H 3s -0.345838 0.559401 -0.523105 0.031988 -0.134323 -0.622276 15H 1pz -0.001496 0.004017 0.000098 0.004405 -0.001383 -0.006490 15H 1px -0.000769 -0.001213 -0.006067 0.002734 0.005010 -0.006009 15H 1py -0.000020 0.008906 0.012916 -0.003667 -0.011721 0.009890 16H 1s 0.041409 -0.010509 -0.002933 0.010289 0.044284 -0.004658 16H 2s 0.343527 -0.108911 -0.013219 0.051838 0.579260 0.041783 16H 3s -0.024287 0.043446 0.018791 0.062339 -0.322376 -0.181209 16H 1pz 0.020237 -0.009160 -0.001757 0.001661 0.037230 0.007220 16H 1px 0.008231 -0.001537 0.001754 0.002757 -0.005176 -0.007811 16H 1py 0.005949 0.000399 -0.001788 0.003537 0.010241 0.001991 17H 1s -0.038681 0.008990 -0.009104 0.014398 -0.040121 -0.004057 17H 2s -0.343021 0.032354 -0.072817 0.010595 -0.486526 0.005750 17H 3s 0.158323 -0.055298 -0.034542 0.147990 0.264155 -0.122357 17H 1pz 0.020598 -0.004535 0.000986 -0.001279 0.020823 0.000379 17H 1px 0.008784 -0.001378 0.000754 0.010036 0.022085 -0.005520 17H 1py -0.009785 -0.000332 -0.004062 0.001019 -0.010875 0.001158 18H 1s -0.039087 -0.008652 0.009077 0.013626 0.040361 0.002264 18H 2s -0.337927 -0.027006 0.076164 0.005245 0.483020 -0.036950 18H 3s 0.140904 0.053580 0.031536 0.148293 -0.257461 0.163460 18H 1pz -0.020943 -0.004376 0.001197 0.000929 0.021048 -0.000781 18H 1px -0.007870 -0.001108 0.001100 -0.009986 0.021428 -0.007959 18H 1py 0.009083 -0.000677 -0.004026 -0.000916 -0.010067 0.001685 19H 1s 0.041346 0.010806 0.002848 0.011188 -0.044168 0.006643 19H 2s 0.346224 0.114875 0.012561 0.059972 -0.573916 0.001813 19H 3s -0.034606 -0.044928 -0.018157 0.061789 0.317887 0.156364 19H 1pz -0.020211 -0.009428 -0.001600 -0.002074 0.036418 0.003671 19H 1px -0.007782 -0.001367 0.001792 -0.002879 -0.005113 -0.006409 19H 1py -0.006594 0.000002 -0.001958 -0.004042 0.010898 0.001308 20H 1s -0.002841 0.004771 0.002088 -0.004322 -0.002070 -0.008543 20H 2s -0.056825 0.066637 0.167286 0.010549 -0.068595 0.056320 20H 3s -0.352655 -0.556476 0.523220 0.052913 0.128812 0.580114 20H 1pz 0.001451 0.003976 0.000007 -0.004569 -0.001345 -0.005692 20H 1px 0.000924 -0.001284 -0.006060 -0.002810 0.005002 -0.005901 20H 1py 0.000437 0.008909 0.012709 0.003684 -0.011425 0.010239 21H 1s 0.018132 0.012226 -0.005275 -0.002540 -0.016474 0.009865 21H 2s 0.089736 0.028036 -0.095960 0.077650 -0.033093 0.055406 21H 3s -0.399167 -0.482804 0.225908 0.392867 0.728970 0.131790 21H 1pz -0.005155 -0.000707 0.012023 -0.002268 -0.006584 0.008101 21H 1px -0.002288 -0.002959 0.005371 -0.003302 0.003984 0.001687 21H 1py -0.011561 -0.007581 0.001795 0.009097 0.009810 -0.005992 22H 1s -0.010814 0.009282 -0.004468 0.023750 0.007470 -0.014847 22H 2s 0.025697 0.048081 -0.092476 0.096417 0.113463 -0.131102 22H 3s 0.257571 -0.132895 -0.061104 -0.254702 0.449458 0.719733 22H 1pz -0.007694 -0.002937 0.011856 0.000694 -0.003668 0.011845 22H 1px -0.001906 0.007203 -0.003826 0.004199 0.000826 -0.010060 22H 1py 0.008985 0.000333 -0.000352 -0.011698 -0.003795 -0.000775 23H 1s 0.003980 0.001338 0.011039 0.013359 0.007989 0.020073 23H 2s -0.073195 0.095382 0.018761 0.033868 0.017002 0.046557 23H 3s -0.322769 -0.180955 -0.585243 -0.246581 -0.028813 -1.070080 23H 1pz 0.005859 -0.002247 0.007903 0.009013 0.008575 0.014059 23H 1px 0.003999 0.000652 0.001788 0.004305 0.001884 -0.005405 23H 1py 0.003370 -0.014391 -0.003232 -0.001154 0.007576 -0.000388 24H 1s 0.009268 0.001893 0.004542 -0.001259 -0.011117 0.003308 24H 2s 0.032354 -0.146399 0.037137 -0.062973 -0.002395 0.075093 24H 3s -0.131876 -0.480692 -0.568047 -0.251101 0.328732 -0.514592 24H 1pz 0.000352 0.012774 -0.006034 0.001710 -0.007547 -0.013133 24H 1px 0.000887 0.007198 -0.001594 0.001692 -0.000411 -0.009559 24H 1py 0.005987 0.003640 0.004529 0.001949 -0.004847 0.001369 25H 1s -0.015246 0.007375 0.007157 -0.012987 -0.010093 -0.006177 25H 2s -0.015251 0.093244 0.080023 -0.004427 -0.047689 -0.100762 25H 3s 0.259166 -0.065879 0.086018 0.228101 0.660662 -0.590926 25H 1pz -0.012688 -0.001563 -0.004709 -0.009341 -0.000019 -0.005020 25H 1px -0.002573 0.009549 0.007901 -0.001112 -0.008086 0.000176 25H 1py -0.003878 -0.007135 -0.000101 -0.007607 0.001578 0.002804 26O 1s -0.000575 -0.004537 -0.009734 0.000622 0.001410 0.000166 26O 2s -0.000349 -0.011277 -0.024714 0.002746 0.003046 -0.000974 26O 3s -0.014916 0.020291 0.051852 -0.025172 0.001528 0.027172 26O 4s 0.117742 0.028471 0.007943 0.112771 -0.042795 -0.096405 26O 5s -0.981618 0.296204 0.813665 -0.693126 -0.278589 0.175089 26O 1pz 0.037475 0.003955 -0.053817 0.042015 -0.031279 0.034278 26O 1px 0.008864 -0.042409 -0.120093 0.024882 0.007418 -0.001872 26O 1py 0.031856 -0.059222 -0.049044 0.020261 -0.070593 -0.010115 26O 2pz 0.021713 -0.016569 -0.062457 0.015758 -0.006570 0.052589 26O 2px 0.010691 -0.050170 -0.125005 0.001329 0.036407 0.033187 26O 2py 0.025721 -0.050091 -0.062690 0.005650 -0.066747 -0.011189 26O 3pz 0.267558 0.095028 -0.073273 0.343395 -0.245953 -0.020631 26O 3px 0.340441 -0.161900 -0.546218 0.193648 0.070347 0.199640 26O 3py 0.346503 -0.214007 -0.173115 0.132414 -0.048187 0.172083 26O 1dz2 0.000232 0.000405 0.003187 -0.000960 0.000271 -0.003367 26O 1dxz 0.000083 -0.001238 0.000455 -0.000814 0.000975 -0.000409 26O 1dyz -0.001179 0.000782 0.001091 -0.000191 0.001005 -0.000510 26O 1dx2y2 0.000867 -0.002351 -0.001824 -0.002544 -0.000199 0.006052 26O 1dxy -0.000576 0.000612 -0.002521 -0.000792 -0.000620 0.002216 26O 2dz2 0.011821 -0.001089 -0.000775 0.008457 -0.004679 -0.008930 26O 2dxz -0.006425 0.001623 0.004411 -0.007062 -0.012786 -0.004343 26O 2dyz 0.003531 0.001336 0.001502 0.000502 0.005646 0.004852 26O 2dx2y2 -0.012877 -0.001835 0.000852 -0.005796 -0.010580 -0.016732 26O 2dxy -0.020612 0.002233 0.001426 0.000752 -0.014319 -0.014375 26O 1f0 -0.000368 0.000603 0.000892 -0.000129 -0.001480 -0.001087 26O 1f+1 -0.000527 -0.000273 -0.000281 0.000335 0.000079 -0.001143 26O 1f-1 -0.000066 -0.000347 -0.000644 0.000408 -0.000300 -0.000004 26O 1f+2 0.000271 -0.000023 -0.000044 -0.000016 0.000949 0.000406 26O 1f-2 0.000684 -0.000978 -0.001735 0.000478 0.000146 -0.000197 26O 1f+3 -0.000222 -0.000421 -0.000795 0.000169 -0.000739 -0.002203 26O 1f-3 -0.001053 0.000305 0.000924 -0.000132 -0.000146 -0.001351 27O 1s 0.004267 -0.008915 0.004903 0.000714 0.001272 -0.000767 27O 2s 0.011728 -0.022720 0.012242 0.000626 0.004490 -0.001875 27O 3s -0.042114 0.049079 -0.023147 0.017333 -0.032653 -0.000378 27O 4s 0.077013 0.003286 -0.027319 -0.123171 0.098924 -0.000365 27O 5s -0.447454 0.692764 -0.295918 0.732702 -0.174216 0.019200 27O 1pz 0.020400 0.009486 0.048357 -0.036757 0.009391 -0.046635 27O 1px 0.062093 -0.120131 0.072414 -0.017083 0.006951 -0.018115 27O 1py -0.047764 0.051746 -0.009403 0.037910 0.052447 0.019260 27O 2pz 0.012568 -0.002890 0.042046 -0.020565 0.022844 -0.061362 27O 2px 0.020638 -0.124653 0.068822 0.008093 -0.014429 -0.034679 27O 2py -0.009647 0.059037 -0.023168 0.009607 0.066911 0.001891 27O 3pz 0.129785 0.110046 0.114680 -0.273491 -0.115665 0.001914 27O 3px 0.122684 -0.511747 0.251911 -0.356557 -0.329948 -0.131168 27O 3py -0.378046 0.107035 0.022688 0.360306 0.161060 0.250696 27O 1dz2 0.002212 0.001184 -0.000700 0.000074 0.001851 0.001979 27O 1dxz 0.001104 0.000005 -0.001777 0.001087 0.002506 0.000372 27O 1dyz 0.000684 -0.001016 0.001324 -0.001157 -0.001080 0.000038 27O 1dx2y2 -0.000567 -0.003885 0.000247 0.001322 -0.005269 -0.004518 27O 1dxy 0.001113 -0.000297 -0.000998 -0.000516 0.000876 -0.000539 27O 2dz2 -0.004329 0.002250 -0.003268 -0.010623 -0.023738 0.007512 27O 2dxz 0.003663 0.002239 -0.002630 0.004835 -0.007285 -0.004905 27O 2dyz -0.004348 -0.000516 0.001420 0.008267 0.005350 -0.005645 27O 2dx2y2 0.000065 -0.001334 -0.000309 0.012462 0.009723 0.020467 27O 2dxy 0.002240 -0.004264 -0.000204 -0.003929 -0.001555 0.000357 27O 1f0 -0.000603 0.001099 -0.000540 0.000431 -0.000827 0.000589 27O 1f+1 0.000130 0.000562 -0.000071 0.000321 0.001459 0.000863 27O 1f-1 -0.000076 -0.000409 0.000247 -0.000002 0.000285 -0.000288 27O 1f+2 -0.000065 -0.000105 0.000073 0.000225 0.001426 0.000424 27O 1f-2 -0.000627 0.001030 -0.000707 0.000091 0.000139 0.000351 27O 1f+3 0.000853 -0.000895 0.000657 0.000103 0.000422 0.002173 27O 1f-3 0.000115 -0.001160 0.000605 -0.000462 -0.001446 0.000913 28O 1s 0.000145 -0.005026 -0.007629 0.000456 0.003651 0.002351 28O 2s -0.000863 -0.012398 -0.018854 0.000357 0.010444 0.005543 28O 3s 0.022387 0.021114 0.030900 0.012526 -0.044243 -0.002824 28O 4s -0.093321 0.042908 0.060876 -0.068097 0.089946 -0.039204 28O 5s 0.258255 0.190906 0.380011 0.224419 -0.399575 0.097580 28O 1pz -0.041854 -0.021498 -0.098678 -0.046388 -0.009299 0.055082 28O 1px 0.015189 0.057887 0.068903 -0.000420 -0.022166 -0.005689 28O 1py -0.036469 -0.054818 0.001620 -0.016121 -0.035688 0.012706 28O 2pz 0.014345 -0.026005 -0.111206 0.008134 -0.015104 0.069086 28O 2px 0.005140 0.054576 0.069178 -0.006187 -0.007579 -0.010851 28O 2py -0.004747 -0.058339 -0.003415 0.000531 -0.029039 0.010046 28O 3pz -0.366660 -0.061891 -0.348533 -0.493709 -0.301547 0.096199 28O 3px -0.185810 0.216408 0.413260 -0.162492 0.130592 -0.038919 28O 3py -0.391014 -0.099937 -0.000400 -0.184464 -0.167332 0.129238 28O 1dz2 -0.001019 -0.001135 0.001682 0.001434 0.001269 0.000154 28O 1dxz -0.002040 0.001016 0.003469 -0.000251 0.003771 -0.003356 28O 1dyz 0.001935 0.001573 0.000696 0.000355 0.000240 -0.001420 28O 1dx2y2 0.001606 -0.000506 -0.002610 0.002393 -0.004371 0.002505 28O 1dxy 0.000824 -0.001252 0.000932 0.000987 0.001348 0.001269 28O 2dz2 -0.002768 -0.001358 0.002086 0.001732 -0.013061 -0.009028 28O 2dxz 0.001052 0.001316 -0.004864 -0.006377 -0.022563 -0.006655 28O 2dyz -0.006408 0.000506 -0.000595 -0.008209 0.005770 0.009464 28O 2dx2y2 0.000846 -0.000523 -0.001085 -0.002752 0.003126 -0.021465 28O 2dxy -0.006883 -0.003278 -0.000915 -0.000618 0.003787 0.000633 28O 1f0 -0.000231 -0.000408 -0.000670 -0.000311 0.001164 -0.000363 28O 1f+1 -0.000213 0.000357 0.001074 0.000068 -0.000205 -0.000870 28O 1f-1 -0.000888 -0.000806 -0.001932 -0.000594 -0.001386 -0.000288 28O 1f+2 0.000847 0.000394 0.000468 0.000322 -0.001521 0.000582 28O 1f-2 -0.000356 0.000411 0.000772 -0.000358 0.000757 0.001430 28O 1f+3 0.000294 0.000243 0.000051 -0.000111 -0.000655 0.001414 28O 1f-3 -0.000020 0.000049 0.000130 0.000275 0.000533 0.000805 29O 1s -0.000573 -0.000309 -0.000949 0.005230 0.000858 -0.004903 29O 2s -0.001197 -0.000808 -0.002200 0.012753 0.002004 -0.012120 29O 3s -0.001025 0.001711 0.001284 -0.022594 -0.000975 0.025040 29O 4s 0.018837 -0.007654 0.013048 -0.028670 -0.011263 0.018201 29O 5s -0.031395 0.076312 0.027061 -0.112725 -0.045220 0.102695 29O 1pz -0.008357 0.001920 0.005172 -0.001977 0.051926 -0.012904 29O 1px -0.007548 0.005272 0.008953 -0.027893 0.021706 0.047570 29O 1py 0.007134 0.001202 0.021373 -0.087995 -0.003486 0.059611 29O 2pz 0.029450 -0.020226 -0.001250 0.008157 0.138087 -0.025381 29O 2px 0.009085 0.002157 0.012952 -0.055162 0.050335 0.106214 29O 2py 0.006712 0.010526 0.013781 -0.128527 -0.005310 0.132015 29O 3pz 0.239569 0.018962 0.067634 -0.005686 0.372128 0.089899 29O 3px 0.067709 0.011282 0.029641 0.113586 0.129419 -0.237910 29O 3py -0.027401 -0.082391 0.027021 0.081405 -0.014380 -0.216324 29O 1dz2 0.004991 -0.001525 -0.000408 -0.000161 0.004971 0.001202 29O 1dxz -0.004993 0.001225 -0.000202 -0.000454 -0.003938 0.000788 29O 1dyz 0.005995 -0.000982 0.000132 0.001291 0.008282 0.000342 29O 1dx2y2 -0.001602 0.000832 0.000024 0.000105 -0.001138 -0.000007 29O 1dxy 0.002832 -0.000744 0.001761 -0.002301 0.003271 -0.000468 29O 2dz2 -0.002124 0.000784 0.000467 0.000631 -0.020233 -0.005451 29O 2dxz 0.000511 0.000149 0.000537 0.003263 0.020349 0.001677 29O 2dyz -0.011005 0.001761 -0.002939 0.001521 -0.024404 -0.003349 29O 2dx2y2 0.001187 -0.000553 -0.000857 0.003209 0.007888 -0.003013 29O 2dxy -0.005443 -0.000524 0.001792 -0.014868 -0.009613 0.007072 29O 1f0 0.000488 -0.000345 -0.000151 0.000107 0.001700 0.000234 29O 1f+1 0.000410 -0.000045 0.000186 -0.000176 0.001533 0.000239 29O 1f-1 0.000692 -0.000513 0.000114 -0.000836 0.002419 0.001013 29O 1f+2 -0.000137 0.000304 0.000190 -0.000195 -0.001045 -0.000092 29O 1f-2 -0.001446 0.000144 -0.000195 -0.000803 -0.003066 0.000332 29O 1f+3 0.000399 -0.000005 -0.000297 0.000974 0.001031 -0.000228 29O 1f-3 0.000736 0.000040 -0.000038 0.000427 0.001473 -0.000124 30O 1s 0.002013 -0.009479 0.002746 -0.002027 0.000085 0.001971 30O 2s 0.004105 -0.023593 0.006668 -0.003806 0.000126 0.006075 30O 3s 0.004926 0.041658 -0.009037 -0.013851 0.000691 -0.032952 30O 4s -0.097408 0.050267 -0.042874 0.103161 0.004349 0.056989 30O 5s 0.702420 0.660709 -0.060418 -0.242087 -0.390509 -0.200100 30O 1pz -0.001769 -0.040574 0.077205 0.054781 -0.029115 -0.009610 30O 1px -0.024380 0.075853 -0.024375 -0.009597 -0.007559 -0.034084 30O 1py 0.023838 0.087452 -0.016390 -0.046471 0.067169 -0.003839 30O 2pz -0.001462 -0.049934 0.076348 0.009597 -0.022487 -0.025313 30O 2px -0.006571 0.081974 -0.018951 -0.002577 -0.021347 -0.018051 30O 2py 0.000509 0.103624 -0.022876 0.019499 0.050433 -0.000241 30O 3pz -0.160720 -0.266200 0.220356 0.373276 0.003064 -0.097178 30O 3px -0.017683 0.479353 -0.119287 0.314590 -0.147979 0.148921 30O 3py 0.443312 0.314226 -0.055967 -0.499243 0.098413 0.204161 30O 1dz2 -0.001806 -0.000326 -0.001466 0.000808 0.000865 0.000426 30O 1dxz -0.000642 0.003725 -0.000207 0.001157 -0.000835 0.004806 30O 1dyz 0.000122 0.000941 0.001093 0.002980 -0.000244 0.001777 30O 1dx2y2 -0.000003 -0.002411 0.000062 -0.002479 -0.001169 -0.003927 30O 1dxy -0.000428 -0.002791 0.001604 -0.000220 -0.001630 -0.002686 30O 2dz2 -0.003016 0.000501 -0.003604 -0.005808 -0.010513 0.005958 30O 2dxz -0.010659 -0.002001 0.001428 0.004303 0.000424 0.001350 30O 2dyz -0.002874 -0.004234 0.001309 -0.007724 0.017444 -0.020025 30O 2dx2y2 0.002435 -0.000746 -0.001172 0.003024 -0.005878 0.015972 30O 2dxy 0.018792 0.007778 -0.000603 -0.001943 -0.015174 0.010185 30O 1f0 0.000573 0.001153 -0.000480 -0.000309 0.000570 0.000829 30O 1f+1 0.000266 0.000329 -0.000065 0.000044 -0.001305 0.001345 30O 1f-1 -0.000129 0.000952 -0.000624 -0.000440 -0.000578 0.000402 30O 1f+2 -0.000206 0.001667 -0.001218 -0.001318 0.000043 -0.000938 30O 1f-2 -0.000299 -0.000887 0.000116 -0.000605 0.001257 -0.001917 30O 1f+3 0.000061 0.000504 0.000036 0.000349 0.000006 -0.001037 30O 1f-3 -0.000424 0.000455 -0.000582 -0.000617 -0.000091 -0.001237 31O 1s 0.001862 0.009507 -0.002672 -0.002268 -0.000225 -0.001600 31O 2s 0.003726 0.023687 -0.006495 -0.004418 -0.000461 -0.005102 31O 3s 0.005710 -0.042225 0.008873 -0.012517 -0.000338 0.030071 31O 4s -0.098038 -0.048332 0.041911 0.103609 -0.003420 -0.055102 31O 5s 0.714739 -0.671363 0.057580 -0.227769 0.408601 0.225302 31O 1pz 0.000424 -0.041683 0.077275 -0.052620 -0.029942 -0.015179 31O 1px 0.023984 0.075850 -0.024336 0.008094 -0.007392 -0.026068 31O 1py -0.022448 0.088429 -0.016679 0.044219 0.067945 0.003090 31O 2pz 0.000794 -0.050469 0.075919 -0.007314 -0.022475 -0.029141 31O 2px 0.006093 0.082128 -0.018860 0.001295 -0.021950 -0.013229 31O 2py -0.000337 0.103610 -0.022455 -0.021570 0.049143 0.003373 31O 3pz 0.154488 -0.272061 0.223796 -0.367682 0.000814 -0.097845 31O 3px 0.012371 0.474913 -0.115605 -0.321417 -0.158398 0.154281 31O 3py -0.430208 0.323110 -0.060182 0.492087 0.108331 0.219693 31O 1dz2 -0.001766 0.000338 0.001461 0.000806 -0.000826 -0.000447 31O 1dxz -0.000642 -0.003701 0.000199 0.001184 0.000881 -0.004770 31O 1dyz 0.000180 -0.000901 -0.001120 0.002974 0.000307 -0.001586 31O 1dx2y2 -0.000041 0.002381 -0.000044 -0.002507 0.001118 0.004226 31O 1dxy -0.000471 0.002785 -0.001599 -0.000271 0.001612 0.002680 31O 2dz2 -0.002984 -0.000546 0.003644 -0.005766 0.010349 -0.006333 31O 2dxz -0.010687 0.002215 -0.001531 0.004366 -0.000746 -0.002517 31O 2dyz -0.002989 0.004224 -0.001178 -0.007651 -0.017931 0.018840 31O 2dx2y2 0.002047 0.000755 0.001091 0.002954 0.005978 -0.014836 31O 2dxy 0.018631 -0.007960 0.000570 -0.001984 0.015357 -0.009577 31O 1f0 -0.000559 0.001164 -0.000487 0.000292 0.000575 0.000866 31O 1f+1 -0.000274 0.000330 -0.000061 -0.000043 -0.001308 0.001349 31O 1f-1 0.000144 0.000955 -0.000617 0.000424 -0.000568 0.000417 31O 1f+2 0.000241 0.001675 -0.001229 0.001271 0.000089 -0.000826 31O 1f-2 0.000317 -0.000885 0.000108 0.000604 0.001295 -0.001869 31O 1f+3 -0.000097 0.000499 0.000040 -0.000357 -0.000011 -0.001006 31O 1f-3 0.000447 0.000451 -0.000590 0.000591 -0.000058 -0.001176 32O 1s -0.000610 0.000371 0.000926 0.005252 -0.000726 0.004151 32O 2s -0.001317 0.000951 0.002143 0.012806 -0.001688 0.010297 32O 3s -0.000293 -0.001728 -0.001115 -0.022645 0.000532 -0.022169 32O 4s 0.017116 0.007081 -0.013020 -0.028745 0.009928 -0.008701 32O 5s -0.029928 -0.081810 -0.028092 -0.114656 0.043143 -0.111582 32O 1pz 0.008786 0.001563 0.004879 0.000245 0.052147 -0.018366 32O 1px 0.006131 0.005275 0.008515 0.027043 0.022143 0.047408 32O 1py -0.009320 0.002296 0.020517 0.088681 -0.001130 0.059141 32O 2pz -0.028864 -0.020855 -0.001299 -0.011575 0.137611 -0.037587 32O 2px -0.010686 0.002415 0.012451 0.053793 0.051148 0.098977 32O 2py -0.011454 0.011342 0.012382 0.128903 0.000093 0.130326 32O 3pz -0.239260 0.018562 0.069659 0.002160 0.369376 0.057532 32O 3px -0.065079 0.013760 0.031511 -0.114296 0.122264 -0.220515 32O 3py 0.021952 -0.087237 0.027540 -0.081178 -0.007461 -0.215070 32O 1dz2 0.004767 0.001516 0.000428 -0.000107 -0.004589 -0.000820 32O 1dxz -0.005113 -0.001206 0.000252 -0.000516 0.004097 -0.000822 32O 1dyz 0.006081 0.001037 -0.000176 0.001393 -0.008346 0.000213 32O 1dx2y2 -0.001773 -0.000876 -0.000002 0.000079 0.001365 -0.000168 32O 1dxy 0.002693 0.000639 -0.001746 -0.002305 -0.003112 0.000560 32O 2dz2 -0.001641 -0.000836 -0.000494 0.000554 0.018591 0.003380 32O 2dxz 0.000513 -0.000195 -0.000698 0.003578 -0.020507 0.001077 32O 2dyz -0.011190 -0.001856 0.003034 0.001358 0.024540 0.001362 32O 2dx2y2 0.001199 0.000662 0.000818 0.003471 -0.008362 0.003585 32O 2dxy -0.004458 0.000627 -0.001521 -0.014774 0.008656 -0.007669 32O 1f0 -0.000475 -0.000350 -0.000158 -0.000179 0.001573 0.000042 32O 1f+1 -0.000436 -0.000024 0.000208 0.000148 0.001570 0.000074 32O 1f-1 -0.000761 -0.000539 0.000101 0.000816 0.002433 0.000804 32O 1f+2 0.000130 0.000338 0.000192 0.000156 -0.001032 -0.000011 32O 1f-2 0.001379 0.000138 -0.000210 0.000849 -0.003022 0.000625 32O 1f+3 -0.000294 0.000004 -0.000285 -0.000955 0.000893 -0.000318 32O 1f-3 -0.000727 0.000032 -0.000037 -0.000468 0.001473 -0.000230 33O 1s 0.000536 0.004961 0.007628 0.000529 -0.003631 -0.001894 33O 2s 0.000140 0.012240 0.018868 0.000559 -0.010399 -0.004386 33O 3s 0.020028 -0.020850 -0.031170 0.011841 0.044316 0.000690 33O 4s -0.092041 -0.042294 -0.059529 -0.066750 -0.090270 0.042634 33O 5s 0.215942 -0.187564 -0.387706 0.216067 0.389712 -0.201389 33O 1pz 0.041151 -0.020488 -0.099535 0.045453 -0.009038 0.052722 33O 1px -0.013339 0.057824 0.068781 0.000412 -0.022018 0.001940 33O 1py 0.035776 -0.054630 0.001324 0.016646 -0.035949 0.012363 33O 2pz -0.015639 -0.025139 -0.111329 -0.008931 -0.016120 0.063876 33O 2px -0.002707 0.054717 0.069130 0.006236 -0.007148 -0.001776 33O 2py 0.004023 -0.058319 -0.003450 -0.000465 -0.029323 0.008999 33O 3pz 0.359974 -0.057811 -0.356770 0.492442 -0.297021 0.063673 33O 3px 0.198052 0.217341 0.411854 0.162161 0.137304 0.026967 33O 3py 0.389679 -0.098863 -0.003880 0.189406 -0.167120 0.126972 33O 1dz2 -0.000993 0.001155 -0.001708 0.001397 -0.001250 -0.000397 33O 1dxz -0.002067 -0.001028 -0.003465 -0.000241 -0.003768 0.003037 33O 1dyz 0.001946 -0.001574 -0.000699 0.000383 -0.000244 0.001143 33O 1dx2y2 0.001669 0.000537 0.002578 0.002382 0.004430 -0.001950 33O 1dxy 0.000785 0.001263 -0.000946 0.000982 -0.001325 -0.001010 33O 2dz2 -0.002718 0.001339 -0.002168 0.001660 0.013101 0.007600 33O 2dxz 0.001561 -0.001411 0.005035 -0.006448 0.022791 0.008946 33O 2dyz -0.006422 -0.000599 0.000711 -0.008111 -0.005910 -0.010555 33O 2dx2y2 0.000614 0.000441 0.000956 -0.002743 -0.003360 0.020930 33O 2dxy -0.006715 0.003360 0.001014 -0.000635 -0.003631 0.000921 33O 1f0 0.000237 -0.000405 -0.000676 0.000305 0.001185 -0.000312 33O 1f+1 0.000227 0.000354 0.001076 -0.000074 -0.000205 -0.000673 33O 1f-1 0.000876 -0.000805 -0.001943 0.000600 -0.001370 -0.000296 33O 1f+2 -0.000878 0.000391 0.000468 -0.000320 -0.001539 0.000393 33O 1f-2 0.000380 0.000412 0.000768 0.000354 0.000776 0.001548 33O 1f+3 -0.000286 0.000244 0.000046 0.000111 -0.000663 0.001375 33O 1f-3 0.000040 0.000048 0.000134 -0.000272 0.000540 0.000896 34O 1s 0.004021 0.008904 -0.004907 0.000566 -0.001231 0.001818 34O 2s 0.011109 0.022661 -0.012249 0.000269 -0.004373 0.004478 34O 3s -0.040821 -0.048470 0.023111 0.017790 0.032196 -0.004638 34O 4s 0.077284 -0.006196 0.027748 -0.121303 -0.098890 -0.006807 34O 5s -0.435153 -0.673368 0.291245 0.738847 0.184898 0.024177 34O 1pz -0.021202 0.010215 0.047606 0.036643 0.009578 -0.044566 34O 1px -0.061853 -0.119703 0.072115 0.019795 0.006717 -0.030586 34O 1py 0.049007 0.050889 -0.009408 -0.039033 0.051962 0.020198 34O 2pz -0.013289 -0.002513 0.041193 0.020454 0.022851 -0.059138 34O 2px -0.019890 -0.124615 0.068515 -0.005333 -0.014644 -0.044288 34O 2py 0.010469 0.058943 -0.023285 -0.011163 0.066141 0.004599 34O 3pz -0.134119 0.115355 0.113086 0.273448 -0.113878 0.008547 34O 3px -0.121470 -0.504743 0.248602 0.368959 -0.316380 -0.115893 34O 3py 0.384235 0.098379 0.023923 -0.361864 0.157727 0.215210 34O 1dz2 0.002208 -0.001191 0.000685 0.000110 -0.001822 -0.002073 34O 1dxz 0.001175 -0.000006 0.001750 0.001108 -0.002468 -0.000533 34O 1dyz 0.000719 0.000989 -0.001313 -0.001193 0.001094 -0.000009 34O 1dx2y2 -0.000550 0.003905 -0.000262 0.001231 0.005207 0.004538 34O 1dxy 0.001153 0.000298 0.001003 -0.000512 -0.000909 0.000598 34O 2dz2 -0.004620 -0.002411 0.003318 -0.010640 0.023405 -0.008927 34O 2dxz 0.003494 -0.002211 0.002549 0.004879 0.007372 0.004186 34O 2dyz -0.004128 0.000693 -0.001440 0.008271 -0.005223 0.005656 34O 2dx2y2 0.000231 0.001605 0.000182 0.012508 -0.009330 -0.018085 34O 2dxy 0.002295 0.004167 0.000216 -0.004027 0.001285 -0.001706 34O 1f0 0.000629 0.001088 -0.000534 -0.000456 -0.000824 0.000635 34O 1f+1 -0.000143 0.000561 -0.000072 -0.000338 0.001429 0.000813 34O 1f-1 0.000061 -0.000407 0.000250 0.000012 0.000292 -0.000281 34O 1f+2 0.000053 -0.000111 0.000069 -0.000227 0.001427 0.000386 34O 1f-2 0.000660 0.001023 -0.000701 -0.000125 0.000146 0.000339 34O 1f+3 -0.000871 -0.000884 0.000666 -0.000076 0.000388 0.002102 34O 1f-3 -0.000115 -0.001149 0.000600 0.000501 -0.001421 0.000949 35O 1s -0.000522 0.004516 0.009722 0.000651 -0.001344 0.001141 35O 2s -0.000230 0.011253 0.024665 0.002808 -0.002892 0.004099 35O 3s -0.014977 -0.020697 -0.051427 -0.025099 -0.001612 -0.030727 35O 4s 0.116167 -0.025846 -0.009790 0.112092 0.042331 0.081459 35O 5s -0.966705 -0.304312 -0.802790 -0.698092 0.261724 -0.207510 35O 1pz -0.035772 0.003470 -0.053202 -0.042291 -0.031576 0.036329 35O 1px -0.009719 -0.042815 -0.119741 -0.025321 0.007450 -0.013849 35O 1py -0.032314 -0.059396 -0.048479 -0.018789 -0.069680 -0.011877 35O 2pz -0.020691 -0.016555 -0.062307 -0.016418 -0.007504 0.050102 35O 2px -0.011058 -0.050166 -0.124917 -0.002203 0.035584 0.017699 35O 2py -0.026546 -0.049790 -0.062634 -0.004543 -0.066079 -0.017502 35O 3pz -0.256478 0.089788 -0.067738 -0.342051 -0.243067 0.029914 35O 3px -0.336926 -0.163509 -0.543786 -0.199416 0.063377 0.152968 35O 3py -0.339778 -0.215669 -0.169138 -0.131237 -0.048426 0.192811 35O 1dz2 0.000283 -0.000422 -0.003188 -0.001006 -0.000327 0.002973 35O 1dxz 0.000075 0.001241 -0.000454 -0.000852 -0.001020 0.000175 35O 1dyz -0.001206 -0.000783 -0.001082 -0.000194 -0.000983 0.000608 35O 1dx2y2 0.000893 0.002316 0.001846 -0.002537 0.000198 -0.005506 35O 1dxy -0.000556 -0.000616 0.002539 -0.000735 0.000669 -0.001858 35O 2dz2 0.011510 0.001206 0.000572 0.008604 0.004950 0.008882 35O 2dxz -0.006442 -0.001701 -0.004311 -0.007160 0.012550 0.003455 35O 2dyz 0.003365 -0.001265 -0.001514 0.000425 -0.005822 -0.004912 35O 2dx2y2 -0.012233 0.001790 -0.000763 -0.005998 0.010268 0.016600 35O 2dxy -0.020243 -0.002151 -0.001438 0.000531 0.014043 0.014137 35O 1f0 0.000373 0.000602 0.000888 0.000140 -0.001475 -0.001021 35O 1f+1 0.000511 -0.000278 -0.000282 -0.000322 0.000097 -0.001016 35O 1f-1 0.000064 -0.000359 -0.000637 -0.000402 -0.000280 0.000108 35O 1f+2 -0.000282 -0.000018 -0.000046 0.000012 0.000932 0.000276 35O 1f-2 -0.000696 -0.000979 -0.001727 -0.000489 0.000143 -0.000188 35O 1f+3 0.000192 -0.000428 -0.000795 -0.000168 -0.000726 -0.002152 35O 1f-3 0.001026 0.000305 0.000925 0.000155 -0.000120 -0.001217 174 175 176 177 178 179 0.36674 0.37410 0.38544 0.39072 0.39082 0.39359 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s 0.003204 0.000294 -0.001794 0.000325 -0.003618 0.000811 0Rh 2s -0.012145 -0.001166 0.007297 -0.001883 0.009340 -0.003400 0Rh 3s 0.011132 0.000987 -0.005925 0.000725 -0.015291 0.002614 0Rh 4s 0.053780 0.005196 -0.032544 0.008641 -0.039464 0.015210 0Rh 5s -0.043182 -0.004726 0.029493 -0.012289 -0.004705 -0.014706 0Rh 6s -0.102936 -0.007358 0.052720 0.003878 0.217402 -0.020553 0Rh 7s 0.560269 -0.010623 -0.029249 -0.089190 -0.880951 0.225898 0Rh 8s -0.073725 0.050015 -0.521766 0.124890 -0.599242 -0.136859 0Rh 1pz 0.001109 0.012229 0.001443 0.005315 -0.005675 0.005142 0Rh 1px -0.013247 0.002498 -0.003678 0.002948 -0.000105 -0.004174 0Rh 1py -0.001505 0.001445 -0.004079 -0.005397 -0.003281 0.005633 0Rh 2pz -0.003962 -0.042584 -0.005029 -0.018438 0.019365 -0.017334 0Rh 2px 0.045849 -0.008672 0.013021 -0.010188 0.000949 0.014304 0Rh 2py 0.005138 -0.004869 0.014117 0.018221 0.011396 -0.019345 0Rh 3pz 0.006499 0.047511 0.005526 0.019133 -0.013975 0.008399 0Rh 3px -0.046315 0.009200 -0.018196 0.009699 -0.011941 -0.011883 0Rh 3py -0.003847 0.002331 -0.013952 -0.009262 -0.012040 0.016126 0Rh 4pz -0.006856 0.019641 0.004051 0.014645 -0.038933 0.050988 0Rh 4px -0.039071 0.005295 0.004944 0.012205 0.040674 -0.019920 0Rh 4py -0.009471 0.014401 -0.014463 -0.052340 -0.008407 0.031856 0Rh 5pz 0.028054 0.095899 -0.003789 0.026129 0.024591 -0.053860 0Rh 5px -0.060924 0.021873 -0.026187 0.000398 -0.083407 -0.021004 0Rh 5py 0.003563 -0.014201 -0.006126 0.055283 -0.012252 -0.017882 0Rh 6pz 0.077014 -1.722605 0.082094 -0.666202 -0.070088 0.105279 0Rh 6px 0.563781 -0.512966 -0.014984 -0.181692 0.759136 0.404785 0Rh 6py -0.079529 -0.098062 0.169969 0.004929 0.207697 -0.085936 0Rh 1dz2 -0.000498 0.008494 0.001113 0.005103 0.006116 0.003590 0Rh 1dxz 0.007152 -0.014453 -0.002265 -0.006353 0.003116 -0.008327 0Rh 1dyz 0.003391 -0.006281 -0.001742 -0.004268 -0.007369 0.003974 0Rh 1dx2y2 -0.000450 -0.005823 -0.000563 -0.007140 -0.000099 -0.000525 0Rh 1dxy -0.005595 -0.004900 0.006916 0.010364 0.010700 -0.009881 0Rh 2dz2 0.000192 -0.001371 -0.000504 -0.000432 -0.001034 -0.000298 0Rh 2dxz -0.000699 0.001365 -0.000329 0.000888 -0.001735 0.001999 0Rh 2dyz -0.000130 -0.000636 0.000325 0.000601 0.000159 0.000049 0Rh 2dx2y2 -0.000195 0.000303 0.000992 0.001022 0.001815 -0.000482 0Rh 2dxy 0.000212 -0.000020 -0.000448 -0.001719 -0.000077 0.001753 0Rh 3dz2 0.000069 -0.009915 0.000080 -0.007550 -0.006911 -0.005382 0Rh 3dxz -0.010263 0.020928 0.005562 0.008019 0.001574 0.007101 0Rh 3dyz -0.005663 0.014146 0.001853 0.005349 0.012929 -0.007543 0Rh 3dx2y2 0.001758 0.009417 -0.003198 0.008870 -0.007645 0.003026 0Rh 3dxy 0.009367 0.009113 -0.010853 -0.011887 -0.019388 0.010933 0Rh 4dz2 0.004197 -0.028614 -0.008142 -0.012292 -0.021622 -0.008148 0Rh 4dxz -0.016818 0.035124 -0.001763 0.019329 -0.028755 0.037095 0Rh 4dyz -0.005756 -0.002442 0.006822 0.012846 0.010825 -0.003335 0Rh 4dx2y2 -0.003829 0.010469 0.014631 0.022097 0.026867 -0.006446 0Rh 4dxy 0.008947 0.005154 -0.014216 -0.035424 -0.013751 0.035406 0Rh 5dz2 -0.031185 0.032845 0.022061 0.003546 0.034648 -0.005723 0Rh 5dxz -0.020595 0.000301 0.024987 -0.019821 0.114226 -0.096956 0Rh 5dyz -0.011497 0.082699 -0.017583 -0.010950 0.023246 -0.035220 0Rh 5dx2y2 0.054948 0.021969 -0.056815 -0.023502 -0.137088 0.049404 0Rh 5dxy 0.030497 0.030645 -0.002045 0.056759 -0.044915 -0.060935 0Rh 1f0 0.000958 -0.004984 0.000720 0.002394 -0.002140 0.002501 0Rh 1f+1 -0.000983 -0.001214 -0.000313 -0.000705 0.002005 -0.000479 0Rh 1f-1 0.001378 0.001577 -0.001912 0.005125 -0.001732 -0.003915 0Rh 1f+2 -0.001516 -0.005022 -0.001142 0.002834 0.002701 0.003383 0Rh 1f-2 0.000014 0.003389 -0.001607 0.003546 -0.001055 -0.000187 0Rh 1f+3 -0.000816 0.001533 -0.001675 -0.001385 0.002128 -0.002759 0Rh 1f-3 -0.000833 -0.002496 -0.001056 0.000791 0.000130 -0.000398 1Rh 1s 0.003287 0.000165 -0.001686 0.000846 0.003540 0.001083 1Rh 2s -0.012366 -0.000835 0.007025 -0.003307 -0.009010 -0.004105 1Rh 3s 0.011477 0.000444 -0.005463 0.002877 0.015037 0.003763 1Rh 4s 0.054719 0.003801 -0.031397 0.014712 0.037985 0.018191 1Rh 5s -0.043148 -0.004914 0.029722 -0.012628 0.006172 -0.014377 1Rh 6s -0.107771 0.000389 0.046044 -0.025283 -0.215688 -0.036876 1Rh 7s 0.584481 -0.043197 -0.002677 0.022556 0.868914 0.294808 1Rh 8s -0.190417 0.088551 -0.498845 0.187777 0.602675 -0.102606 1Rh 1pz -0.001232 -0.012234 -0.001580 -0.006244 -0.004819 -0.005845 1Rh 1px 0.013302 -0.002546 0.003680 -0.002948 -0.000112 0.003854 1Rh 1py 0.000356 -0.001047 0.004001 0.004854 -0.003921 -0.004820 1Rh 2pz 0.004375 0.042607 0.005497 0.021611 0.016435 0.019748 1Rh 2px -0.046034 0.008812 -0.013010 0.010264 0.000975 -0.013154 1Rh 2py -0.001247 0.003547 -0.013847 -0.016335 0.013543 0.016533 1Rh 3pz -0.006630 -0.047672 -0.005873 -0.021450 -0.011722 -0.010409 1Rh 3px 0.046377 -0.008900 0.017820 -0.011225 -0.012024 0.009963 1Rh 3py 0.001590 -0.002055 0.013697 0.007294 -0.012923 -0.013381 1Rh 4pz 0.005415 -0.019153 -0.004937 -0.020924 -0.033506 -0.054872 1Rh 4px 0.039633 -0.007049 -0.003576 -0.006762 0.041075 0.021770 1Rh 4py -0.000330 -0.009157 0.014144 0.050845 -0.015354 -0.028930 1Rh 5pz -0.026559 -0.096879 0.004171 -0.022373 0.021730 0.055353 1Rh 5px 0.061028 -0.019176 0.023486 -0.011661 -0.085604 0.013902 1Rh 5py 0.004920 0.007120 0.006159 -0.057185 -0.004470 0.019985 1Rh 6pz -0.083492 1.728098 -0.080839 0.659215 -0.103918 -0.110319 1Rh 6px -0.600474 0.508925 0.037732 0.277923 0.764914 -0.328180 1Rh 6py 0.019304 0.161749 -0.167301 0.031076 0.205154 0.056574 1Rh 1dz2 -0.000858 0.008655 0.000950 0.003680 -0.006854 0.003164 1Rh 1dxz 0.008492 -0.014674 -0.002462 -0.006815 -0.001722 -0.008019 1Rh 1dyz 0.001977 -0.005688 -0.001529 -0.002953 0.007624 0.004406 1Rh 1dx2y2 -0.002142 -0.004791 -0.000615 -0.006952 0.001166 -0.000526 1Rh 1dxy -0.000868 -0.007165 0.006587 0.008661 -0.011963 -0.009978 1Rh 2dz2 0.000248 -0.001399 -0.000471 -0.000278 0.001092 -0.000239 1Rh 2dxz -0.000684 0.001317 -0.000279 0.001128 0.001522 0.002105 1Rh 2dyz -0.000071 -0.000675 0.000319 0.000567 -0.000258 0.000047 1Rh 2dx2y2 -0.000229 0.000369 0.000930 0.000739 -0.001929 -0.000572 1Rh 2dxy 0.000002 0.000116 -0.000445 -0.001692 0.000269 0.001660 1Rh 3dz2 0.000506 -0.010094 0.000244 -0.005579 0.008021 -0.004847 1Rh 3dxz -0.012796 0.021545 0.005713 0.007852 -0.003261 0.006083 1Rh 3dyz -0.003324 0.013225 0.001483 0.003068 -0.012980 -0.008330 1Rh 3dx2y2 0.004983 0.007252 -0.002841 0.009744 0.006152 0.003423 1Rh 3dxy 0.001600 0.012693 -0.010261 -0.008863 0.020909 0.011498 1Rh 4dz2 0.005424 -0.029260 -0.007492 -0.008428 0.023322 -0.006810 1Rh 4dxz -0.018181 0.034664 -0.000803 0.023379 0.024184 0.038289 1Rh 4dyz -0.003260 -0.003662 0.006500 0.010827 -0.012523 -0.003808 1Rh 4dx2y2 -0.002316 0.010196 0.013805 0.017715 -0.029610 -0.007798 1Rh 4dxy 0.000436 0.009672 -0.013782 -0.033045 0.017800 0.034225 1Rh 5dz2 -0.033023 0.034509 0.020741 0.000314 -0.034441 -0.007310 1Rh 5dxz -0.028361 0.005032 0.022261 -0.036369 -0.106378 -0.106894 1Rh 5dyz -0.007853 0.081692 -0.018388 -0.014746 -0.017664 -0.038032 1Rh 5dx2y2 0.065972 0.011997 -0.052196 -0.002377 0.137028 0.056217 1Rh 5dxy 0.018928 0.034564 -0.000836 0.063431 0.039212 -0.053722 1Rh 1f0 -0.001439 0.005226 -0.000773 -0.002666 -0.001401 -0.002342 1Rh 1f+1 0.000954 0.001138 0.000337 0.001023 0.002081 0.000771 1Rh 1f-1 -0.001959 -0.001413 0.001876 -0.005352 -0.001326 0.003963 1Rh 1f+2 0.001547 0.004963 0.001267 -0.002368 0.003265 -0.003039 1Rh 1f-2 -0.000419 -0.003250 0.001570 -0.003646 -0.000544 0.000247 1Rh 1f+3 0.001168 -0.001740 0.001711 0.001617 0.001680 0.002860 1Rh 1f-3 0.000824 0.002487 0.001066 -0.000767 0.000201 0.000447 2C 1s -0.002467 -0.017344 -0.008067 0.008828 -0.003318 0.009344 2C 2s -0.005915 -0.038081 -0.021105 0.017075 -0.011336 0.020342 2C 3s 0.019361 0.042970 0.141340 0.063433 0.157927 -0.013760 2C 4s 0.026711 0.470209 -0.504278 -0.738624 -0.828998 -0.308513 2C 5s -2.474690 -0.369400 1.437505 2.248172 2.124337 -0.027293 2C 1pz 0.010658 0.093893 0.128825 0.007823 0.108254 -0.057312 2C 1px -0.026997 0.027840 0.038047 -0.011708 0.015007 0.042048 2C 1py 0.010560 0.049377 0.086671 0.020841 0.056586 -0.005051 2C 2pz 0.021767 0.036567 0.084826 0.018835 0.063241 -0.159621 2C 2px -0.153327 0.114869 0.077592 -0.057710 -0.028847 0.335638 2C 2py -0.002716 0.002775 0.058640 0.062928 -0.033355 0.060836 2C 3pz -0.832013 -0.228909 -0.595310 -0.146837 -0.673542 0.189865 2C 3px -0.243113 0.349694 -0.124863 0.343890 -0.145521 -0.640581 2C 3py -0.636632 -0.019375 -0.460000 -0.173949 -0.539364 -0.260141 2C 1dz2 0.000372 -0.000138 -0.001363 -0.000069 -0.001279 -0.004011 2C 1dxz -0.003432 0.002546 0.000370 -0.003244 -0.000060 0.006898 2C 1dyz 0.002228 -0.002103 -0.002111 0.000363 -0.001147 -0.001933 2C 1dx2y2 0.002182 -0.002072 -0.000609 -0.001208 0.000541 -0.003253 2C 1dxy -0.000826 -0.000147 -0.000394 -0.000493 -0.001735 0.005628 2C 2dz2 -0.000447 -0.075816 -0.090418 0.005399 -0.080296 -0.012732 2C 2dxz -0.010239 -0.026949 -0.048483 -0.028958 -0.052570 0.031047 2C 2dyz -0.006734 -0.088668 -0.123634 0.003339 -0.119174 0.059977 2C 2dx2y2 -0.004604 0.039455 0.041969 -0.008992 0.015547 0.019468 2C 2dxy 0.003202 -0.013390 -0.025174 -0.024989 -0.024880 0.032490 2C 1f0 -0.002281 0.000537 -0.002469 -0.001374 -0.005083 0.003958 2C 1f+1 -0.001226 0.000882 -0.003087 -0.001196 -0.003028 0.003568 2C 1f-1 0.002138 -0.008841 -0.013651 -0.003572 -0.013241 -0.001816 2C 1f+2 0.002686 -0.002257 0.007372 0.006130 0.010014 -0.003007 2C 1f-2 -0.001070 0.002782 -0.007112 -0.006938 -0.009259 -0.002058 2C 1f+3 0.001109 -0.006858 -0.000132 0.005128 0.001471 0.004890 2C 1f-3 -0.002062 0.000999 0.000243 0.000784 -0.000158 0.006190 3C 1s -0.004300 0.017992 -0.012911 -0.000052 0.000432 0.002126 3C 2s -0.009723 0.038094 -0.032677 0.001413 0.001422 0.002595 3C 3s 0.014110 0.002006 0.190926 -0.053640 -0.014480 0.077166 3C 4s 0.132244 -0.744464 -0.611469 0.319545 0.070834 -0.562258 3C 5s -2.279532 0.583205 1.709189 -1.739765 -0.638322 1.356621 3C 1pz 0.034236 -0.022673 0.084735 -0.031447 0.005410 0.009980 3C 1px -0.000139 -0.039926 0.077016 0.043360 -0.010191 0.023107 3C 1py -0.003085 0.066617 -0.180859 0.057384 0.014769 -0.056336 3C 2pz 0.103790 0.023535 -0.026554 -0.135579 0.037703 -0.069280 3C 2px -0.048287 -0.069364 0.103646 0.369923 -0.040940 0.042541 3C 2py 0.026250 0.031990 -0.114326 0.159164 0.034955 -0.061681 3C 3pz -0.474700 -0.085111 -0.531456 0.051345 -0.123938 -0.143270 3C 3px -0.373415 -0.156016 -0.306431 -0.541423 0.140075 -0.363308 3C 3py 0.729151 0.214687 0.849085 -0.245304 -0.061968 0.320149 3C 1dz2 -0.000090 0.000285 0.001014 -0.001843 0.000497 0.000627 3C 1dxz -0.000774 -0.002324 0.000715 0.008362 0.000444 -0.000164 3C 1dyz -0.002961 -0.002279 0.004278 0.004314 -0.000259 0.001962 3C 1dx2y2 0.001426 0.000757 0.000896 0.003561 0.000507 0.000720 3C 1dxy 0.001069 0.000553 0.000275 -0.005219 0.001261 -0.000684 3C 2dz2 -0.002728 -0.021834 0.040827 -0.013559 0.011898 0.011272 3C 2dxz -0.008621 0.040249 -0.067490 0.002794 -0.003241 -0.005380 3C 2dyz 0.005012 -0.061264 0.149543 -0.030209 -0.019258 0.038548 3C 2dx2y2 0.005234 -0.046008 0.131248 0.026466 -0.011973 0.060525 3C 2dxy 0.009124 -0.039387 0.110668 -0.069962 0.011386 0.020484 3C 1f0 -0.001683 -0.007878 0.010826 -0.001354 -0.000977 0.003376 3C 1f+1 -0.001760 -0.003429 0.001582 0.006866 -0.000402 0.000085 3C 1f-1 0.000365 -0.004495 -0.000101 0.003159 -0.000276 -0.003176 3C 1f+2 -0.000310 0.004973 0.014687 -0.001430 -0.001662 0.008920 3C 1f-2 0.001297 0.003841 0.010745 -0.008670 -0.000459 0.005744 3C 1f+3 -0.000245 0.003400 -0.010493 0.000163 0.000233 -0.001986 3C 1f-3 0.000655 -0.000421 0.002950 -0.005455 0.000051 0.000990 4C 1s 0.031751 0.005377 0.018114 0.006786 0.013880 0.003854 4C 2s 0.067737 0.014089 0.042024 0.014807 0.031807 0.006801 4C 3s -0.025822 -0.199046 -0.159484 -0.036037 -0.147457 0.094789 4C 4s -1.194145 1.170042 0.242923 -0.070040 0.310308 -0.757721 4C 5s 2.820264 0.785867 0.885746 -0.084513 1.241836 0.349779 4C 1pz -0.057346 0.050346 0.099158 0.009533 0.092973 -0.101538 4C 1px -0.061985 0.090074 0.028059 -0.030865 -0.010933 0.177785 4C 1py -0.075115 0.066521 0.064823 -0.039902 0.058145 -0.022102 4C 2pz -0.123848 0.130691 0.000844 0.039125 0.024482 -0.096683 4C 2px -0.017283 0.106432 0.040329 -0.015634 0.081862 -0.043974 4C 2py -0.124518 0.116773 -0.017917 -0.100343 0.003751 -0.156970 4C 3pz -1.588987 1.319414 0.101640 0.057662 -0.171589 -0.441033 4C 3px 0.163533 -1.045963 -0.056218 -0.415807 0.360771 -0.840580 4C 3py -0.768157 0.463154 0.159460 0.221723 0.160360 -0.302209 4C 1dz2 -0.008241 0.005604 0.006069 -0.003024 0.001249 0.007425 4C 1dxz -0.001310 -0.006662 0.001114 0.003319 0.004251 -0.019186 4C 1dyz -0.003963 0.012521 0.010293 -0.000929 0.004571 -0.004509 4C 1dx2y2 0.010645 0.005451 -0.001387 0.003945 -0.002489 0.001284 4C 1dxy 0.007931 0.000010 0.002467 0.002482 0.004365 -0.015266 4C 2dz2 -0.038222 0.013233 0.067954 0.015327 0.057916 0.110577 4C 2dxz -0.004283 -0.073519 0.025470 0.010073 0.081600 -0.136575 4C 2dyz 0.017481 0.118247 0.108001 -0.002928 0.137724 -0.055712 4C 2dx2y2 0.072198 0.111132 -0.004177 0.023447 0.021502 -0.061934 4C 2dxy 0.056628 0.066932 0.027685 0.044285 0.044435 -0.132574 4C 1f0 -0.000230 -0.007013 -0.002854 0.000488 -0.003087 0.004695 4C 1f+1 -0.001126 -0.018924 -0.004740 -0.002771 -0.006198 0.006137 4C 1f-1 -0.003587 -0.005915 -0.009972 -0.003109 -0.010673 0.007110 4C 1f+2 0.000639 0.014639 0.007284 0.001514 0.007176 -0.000459 4C 1f-2 0.000241 -0.003078 -0.002898 0.001660 -0.002516 -0.004732 4C 1f+3 -0.001678 -0.000751 -0.001705 -0.001337 -0.004766 0.005404 4C 1f-3 -0.002039 -0.015797 -0.003065 -0.002453 -0.007180 0.014522 5C 1s 0.032023 0.006014 0.021891 -0.006304 -0.004377 0.009425 5C 2s 0.068494 0.011274 0.050948 -0.014484 -0.009812 0.020338 5C 3s -0.035062 0.137972 -0.221101 0.072787 0.035489 -0.014905 5C 4s -1.121440 -1.257405 0.479221 -0.161890 -0.036834 -0.332906 5C 5s 2.667912 -0.108240 1.383919 0.162310 -0.191306 0.606372 5C 1pz -0.048389 -0.056445 0.071179 -0.099490 0.009059 0.010803 5C 1px -0.062635 -0.030425 0.092344 0.182290 -0.037780 0.024786 5C 1py 0.058982 0.086816 -0.139626 0.047327 -0.010168 -0.035199 5C 2pz -0.118203 -0.118045 0.003065 -0.119077 -0.053998 -0.113739 5C 2px -0.063949 -0.076588 -0.045256 0.061025 0.040658 0.034585 5C 2py 0.115751 0.175226 -0.038374 0.002601 -0.003858 0.062959 5C 3pz -0.686376 -0.677067 0.372029 0.224774 -0.204862 0.042354 5C 3px -0.014065 -0.724498 -0.289354 -1.083073 0.225535 0.220374 5C 3py 1.165111 1.217969 -0.221659 0.487504 0.409980 0.183941 5C 1dz2 -0.006616 0.001777 -0.002007 0.006750 -0.001705 0.000759 5C 1dxz -0.005593 0.002662 0.000833 -0.011377 0.000235 -0.000239 5C 1dyz 0.001299 0.009978 -0.014096 -0.005450 0.002963 -0.001496 5C 1dx2y2 0.010654 0.002985 -0.007575 -0.009757 0.002309 -0.001246 5C 1dxy 0.000653 0.005809 -0.003262 0.019379 -0.003645 0.000854 5C 2dz2 -0.069718 0.067495 -0.039530 0.044334 -0.023316 -0.008005 5C 2dxz -0.038175 0.040427 0.000621 -0.021486 0.055734 0.024517 5C 2dyz -0.020301 0.112434 -0.183330 -0.010565 0.039403 -0.034696 5C 2dx2y2 0.075242 -0.054022 -0.101909 -0.101301 0.008078 -0.047444 5C 2dxy 0.002535 -0.002811 -0.043220 0.145863 -0.031975 -0.052872 5C 1f0 0.000956 0.006235 0.004262 -0.004410 0.002197 0.003990 5C 1f+1 -0.001059 0.008967 -0.001988 0.007258 -0.000177 0.001837 5C 1f-1 0.001117 -0.001149 0.000965 -0.001734 0.002118 0.001732 5C 1f+2 0.001576 -0.003961 0.009449 -0.002352 -0.001328 0.002100 5C 1f-2 0.001135 -0.010937 0.014333 0.002354 -0.005141 0.000194 5C 1f+3 -0.002839 0.010850 -0.010232 0.005869 -0.001217 -0.000402 5C 1f-3 0.002469 -0.014679 0.008097 -0.006193 -0.001527 -0.000960 6C 1s 0.030973 0.006925 0.021881 -0.005461 0.003970 0.007689 6C 2s 0.066310 0.013181 0.050946 -0.012618 0.008926 0.016399 6C 3s -0.042021 0.141631 -0.222406 0.067498 -0.036843 0.000154 6C 4s -1.034971 -1.316111 0.489077 -0.164497 0.060061 -0.347799 6C 5s 2.880597 -0.213837 1.395321 0.160431 0.066698 0.411266 6C 1pz 0.047028 0.057696 -0.070994 0.099484 -0.001405 0.000271 6C 1px 0.059917 0.032423 -0.093336 -0.182667 -0.005109 -0.017734 6C 1py -0.052352 -0.090881 0.139367 -0.048317 -0.011435 0.018204 6C 2pz 0.115551 0.124064 -0.007802 0.113244 -0.077561 0.112604 6C 2px 0.064343 0.077488 0.049355 -0.052963 0.055057 -0.039012 6C 2py -0.085558 -0.194042 0.040655 -0.006209 0.000285 -0.060173 6C 3pz 0.781768 0.609236 -0.372545 -0.261072 -0.161068 -0.073037 6C 3px 0.042198 0.683671 0.299073 1.077657 0.079155 -0.229671 6C 3py -1.423047 -1.060115 0.229586 -0.410699 0.473066 -0.148288 6C 1dz2 -0.006797 0.001966 -0.001991 0.006782 0.000676 0.000527 6C 1dxz -0.006393 0.003092 0.000763 -0.010917 0.001382 -0.000677 6C 1dyz 0.000877 0.010235 -0.014277 -0.005579 -0.001587 -0.000970 6C 1dx2y2 0.011309 0.002568 -0.007647 -0.009730 -0.000416 -0.000300 6C 1dxy 0.001351 0.005420 -0.003083 0.019392 0.001052 0.001262 6C 2dz2 -0.076984 0.069230 -0.038453 0.048254 0.018777 -0.005275 6C 2dxz -0.038279 0.040999 -0.001981 -0.030438 -0.054250 0.014473 6C 2dyz -0.026022 0.115588 -0.185017 -0.015173 -0.028109 -0.014682 6C 2dx2y2 0.062614 -0.046808 -0.101849 -0.101435 0.013306 -0.029534 6C 2dxy -0.001466 -0.000200 -0.041456 0.145574 0.016389 -0.041091 6C 1f0 -0.000751 -0.006347 -0.004073 0.004483 0.001976 -0.003048 6C 1f+1 0.001382 -0.009183 0.001998 -0.007176 0.000885 -0.001681 6C 1f-1 -0.001460 0.001245 -0.000852 0.001994 0.001988 -0.001537 6C 1f+2 -0.002003 0.004156 -0.009508 0.002198 -0.001168 -0.000967 6C 1f-2 -0.002258 0.011582 -0.014596 -0.002964 -0.004276 0.000741 6C 1f+3 0.003627 -0.011228 0.010179 -0.006086 -0.000786 -0.000446 6C 1f-3 -0.003445 0.015244 -0.008218 0.006011 -0.002158 0.001321 7C 1s 0.033181 0.004712 0.017669 0.004703 -0.015071 0.003654 7C 2s 0.070788 0.012697 0.041027 0.010028 -0.034344 0.006266 7C 3s -0.022937 -0.201824 -0.155770 -0.014132 0.147299 0.102537 7C 4s -1.268467 1.213780 0.238673 -0.115390 -0.257429 -0.798101 7C 5s 2.629502 0.860043 0.861056 -0.300585 -1.243359 0.322814 7C 1pz 0.060538 -0.052277 -0.097451 0.004654 0.089996 0.105783 7C 1px 0.061264 -0.088602 -0.028831 0.031881 -0.008327 -0.180372 7C 1py 0.079161 -0.068892 -0.063830 0.049577 0.050938 0.025043 7C 2pz 0.136415 -0.135715 -0.000585 -0.036222 0.025231 0.099733 7C 2px 0.026354 -0.115424 -0.040332 0.032284 0.078382 0.051017 7C 2py 0.155198 -0.134504 0.017671 0.099766 -0.017297 0.165020 7C 3pz 1.409730 -1.239953 -0.098327 -0.096415 -0.191614 0.431931 7C 3px -0.225661 1.066715 0.075833 0.445711 0.275643 0.867800 7C 3py 0.565294 -0.363259 -0.150537 -0.202311 0.178938 0.290516 7C 1dz2 -0.007627 0.005148 0.006023 -0.003354 -0.001168 0.007640 7C 1dxz -0.001297 -0.006552 0.001034 0.002979 -0.004024 -0.019522 7C 1dyz -0.003717 0.012537 0.010231 -0.001688 -0.004334 -0.004836 7C 1dx2y2 0.009749 0.005855 -0.001343 0.004438 0.001888 0.001227 7C 1dxy 0.007263 0.000549 0.002361 0.001998 -0.004191 -0.015783 7C 2dz2 -0.034379 0.008128 0.066380 0.006125 -0.063101 0.110311 7C 2dxz -0.006524 -0.070662 0.023431 -0.003666 -0.075451 -0.140823 7C 2dyz 0.008236 0.124002 0.105094 -0.024295 -0.132248 -0.060564 7C 2dx2y2 0.079661 0.108054 -0.005673 0.020456 -0.021174 -0.064650 7C 2dxy 0.053660 0.069015 0.026762 0.039149 -0.045423 -0.138488 7C 1f0 -0.000277 0.007269 0.002712 -0.000940 -0.002717 -0.004862 7C 1f+1 0.000361 0.019284 0.004568 0.001916 -0.006180 -0.006652 7C 1f-1 0.003127 0.006200 0.009738 0.001501 -0.010732 -0.007685 7C 1f+2 -0.000410 -0.014694 -0.007123 -0.000436 0.007299 0.000803 7C 1f-2 -0.000395 0.003121 0.002802 -0.002033 -0.002376 0.004683 7C 1f+3 0.001544 0.000946 0.001597 0.000495 -0.004613 -0.005648 7C 1f-3 0.001062 0.016556 0.002939 0.001384 -0.006850 -0.015347 8C 1s -0.005267 0.018643 -0.013183 0.000236 0.000199 0.002545 8C 2s -0.011724 0.039395 -0.033228 0.001874 0.000002 0.004209 8C 3s 0.015035 0.003071 0.189695 -0.049003 0.010816 0.050052 8C 4s 0.167243 -0.778784 -0.592975 0.278743 -0.073064 -0.411152 8C 5s -2.762325 0.921195 1.661311 -1.517656 0.772298 1.018129 8C 1pz -0.035862 0.023213 -0.084565 0.031754 0.004804 -0.002870 8C 1px -0.000154 0.040085 -0.077425 -0.042427 0.000693 -0.015782 8C 1py 0.003337 -0.066226 0.180797 -0.053989 0.012739 0.038173 8C 2pz -0.093254 -0.029391 0.027253 0.138436 0.013247 0.059004 8C 2px 0.051608 0.066931 -0.105089 -0.361435 0.019860 -0.036797 8C 2py -0.042530 -0.022327 0.113664 -0.148704 0.051510 0.055646 8C 3pz 0.553638 0.045343 0.526938 -0.066951 -0.139615 0.095179 8C 3px 0.437186 0.128060 0.309641 0.544059 0.025828 0.304920 8C 3py -0.784502 -0.177559 -0.849304 0.238389 -0.042976 -0.180971 8C 1dz2 0.000162 0.000119 0.000999 -0.001749 -0.000290 0.000554 8C 1dxz -0.000535 -0.002369 0.000706 0.007980 -0.001683 -0.000184 8C 1dyz -0.002601 -0.002470 0.004293 0.004268 -0.000632 0.001438 8C 1dx2y2 0.001833 0.000555 0.000881 0.003295 -0.001098 0.000545 8C 1dxy 0.001040 0.000553 0.000198 -0.005315 -0.000490 -0.000800 8C 2dz2 0.000308 -0.022805 0.040152 -0.015301 -0.011879 0.006278 8C 2dxz -0.009953 0.040648 -0.067358 0.004248 0.006356 0.001809 8C 2dyz 0.007410 -0.062549 0.149971 -0.027983 0.014540 0.021579 8C 2dx2y2 0.010870 -0.048779 0.131283 0.027891 -0.000748 0.047061 8C 2dxy 0.011662 -0.040503 0.110370 -0.068980 -0.006389 0.007384 8C 1f0 0.001372 0.008096 -0.010890 0.001009 -0.000506 -0.002327 8C 1f+1 0.001636 0.003289 -0.001646 -0.006657 0.000658 -0.000120 8C 1f-1 -0.000576 0.004599 0.000001 -0.002901 0.000098 0.002749 8C 1f+2 0.000417 -0.005156 -0.014461 0.000999 -0.000883 -0.006488 8C 1f-2 -0.001216 -0.004106 -0.010631 0.008247 -0.001046 -0.004000 8C 1f+3 0.000346 -0.003441 0.010425 -0.000294 -0.000295 0.000685 8C 1f-3 -0.000601 0.000359 -0.002966 0.005407 -0.000555 -0.000714 9C 1s -0.001406 -0.017903 -0.008106 0.009499 0.001839 0.009734 9C 2s -0.003874 -0.039172 -0.021062 0.019139 0.008346 0.021314 9C 3s 0.023851 0.040897 0.137007 0.039818 -0.163954 -0.018908 9C 4s -0.044415 0.506814 -0.475997 -0.622020 0.923784 -0.293853 9C 5s -1.904558 -0.639503 1.347637 1.981538 -2.370017 -0.052451 9C 1pz -0.012230 -0.094046 -0.125689 0.009177 0.105995 0.061775 9C 1px 0.027625 -0.027889 -0.037599 0.015985 0.015259 -0.042460 9C 1py -0.011991 -0.048535 -0.086502 -0.012577 0.060795 0.006710 9C 2pz -0.036290 -0.033107 -0.081031 -0.009533 0.058990 0.164195 9C 2px 0.150577 -0.112041 -0.078877 0.063861 -0.021296 -0.342437 9C 2py -0.005770 0.003503 -0.062087 -0.071521 -0.015634 -0.065155 9C 3pz 0.727069 0.283791 0.579187 0.039801 -0.676081 -0.223575 9C 3px 0.224006 -0.348833 0.117729 -0.376870 -0.120664 0.650047 9C 3py 0.640853 0.008082 0.453117 0.083914 -0.580502 0.258898 9C 1dz2 0.000180 0.000022 -0.001342 0.000175 0.001441 -0.004018 9C 1dxz -0.003131 0.002434 0.000359 -0.003398 0.000298 0.007082 9C 1dyz 0.002531 -0.002247 -0.002088 0.000570 0.001152 -0.001868 9C 1dx2y2 0.001908 -0.001867 -0.000635 -0.001299 -0.000224 -0.003314 9C 1dxy -0.000631 -0.000332 -0.000354 -0.000224 0.001513 0.005606 9C 2dz2 -0.002493 -0.074058 -0.087925 0.019157 0.078251 -0.011049 9C 2dxz -0.010305 -0.027334 -0.047065 -0.020583 0.055017 0.032733 9C 2dyz -0.004000 -0.090881 -0.121455 0.021506 0.115565 0.064630 9C 2dx2y2 -0.006501 0.040427 0.042319 -0.011610 -0.015627 0.018403 9C 2dxy 0.003569 -0.013543 -0.024867 -0.022418 0.028048 0.034958 9C 1f0 0.002376 -0.000535 0.002198 0.000564 -0.004827 -0.004021 9C 1f+1 0.001136 -0.000927 0.002978 0.000920 -0.003103 -0.003885 9C 1f-1 -0.001807 0.008723 0.013295 0.001426 -0.013590 0.001356 9C 1f+2 -0.003142 0.002577 -0.007234 -0.004922 0.010824 0.003188 9C 1f-2 0.001508 -0.002900 0.006805 0.005465 -0.010087 0.001952 9C 1f+3 -0.001457 0.007034 0.000282 -0.004950 0.002261 -0.004672 9C 1f-3 0.001843 -0.000640 -0.000283 -0.000897 0.000360 -0.006528 10H 1s 0.015511 -0.020194 -0.007629 0.014871 -0.000233 -0.038439 10H 2s 0.256234 -0.278986 -0.088181 0.125497 0.031207 -0.435532 10H 3s -0.284561 0.310137 -0.500253 -0.945077 -0.940270 1.124738 10H 1pz 0.007132 -0.008483 0.004820 0.002850 0.010593 -0.010323 10H 1px -0.012304 0.015934 0.000157 -0.012116 -0.009865 0.022282 10H 1py 0.001854 -0.003095 0.002255 0.001690 0.000914 -0.001337 11H 1s -0.017897 0.006407 0.001581 -0.010022 -0.002706 0.014116 11H 2s -0.116912 0.051523 0.046567 -0.031147 0.029035 0.209008 11H 3s 0.086895 0.105721 -0.592440 -0.394133 -0.799034 -0.555196 11H 1pz 0.003292 -0.002166 0.009460 0.009744 0.013738 0.007550 11H 1px -0.004329 0.001167 0.008232 0.007294 0.009104 0.011602 11H 1py 0.001507 0.002774 -0.000412 0.002763 -0.003371 -0.003321 12H 1s -0.014084 -0.000372 0.002425 0.006309 -0.009488 0.037861 12H 2s -0.112559 -0.023960 0.024103 0.083364 -0.109544 0.405719 12H 3s 0.089366 0.165967 -0.626079 -0.525281 -0.777491 -1.004941 12H 1pz 0.001898 0.003953 0.001004 -0.003630 0.001645 -0.011971 12H 1px -0.006075 0.003050 0.005853 0.005681 0.004221 0.011288 12H 1py -0.001641 -0.005481 0.007403 0.009772 0.005584 0.014246 13H 1s 0.007617 0.019574 -0.015277 -0.046270 0.006732 -0.005711 13H 2s 0.147950 0.250477 -0.185237 -0.546914 0.047223 -0.035519 13H 3s -0.144932 -0.435135 -0.536892 1.585412 -0.106567 -0.302177 13H 1pz 0.006510 0.009993 0.000110 -0.021051 -0.000393 0.001454 13H 1px -0.004064 -0.014943 0.003252 0.026615 -0.000276 -0.002341 13H 1py -0.001673 -0.002740 -0.005862 0.011474 0.002351 -0.006003 14H 1s -0.003990 0.000781 -0.000312 0.041990 0.002117 0.001764 14H 2s -0.000586 0.034087 0.002187 0.431879 0.025544 -0.013829 14H 3s 0.039039 -0.484687 -0.814362 -0.630212 0.232424 -0.593470 14H 1pz 0.003009 0.006577 0.003204 0.000576 -0.001096 0.000850 14H 1px -0.001911 0.004475 0.010852 0.015727 0.000465 0.004708 14H 1py 0.001676 0.001300 -0.004215 0.009556 0.000580 0.000254 15H 1s -0.020129 -0.002832 0.005804 0.006036 -0.005545 0.006800 15H 2s -0.154629 0.019738 0.096227 0.104598 -0.041498 0.142799 15H 3s 0.145408 -0.436645 -0.828847 0.141763 0.294492 -0.656041 15H 1pz 0.005961 -0.004064 -0.005523 -0.000371 0.003104 -0.007069 15H 1px -0.000846 -0.001662 0.006226 0.005745 0.002655 0.002721 15H 1py 0.000321 -0.010022 -0.014470 -0.001173 0.001054 -0.014268 16H 1s 0.001994 0.025765 0.016320 0.017888 0.053567 -0.023105 16H 2s -0.030417 0.596394 0.208517 0.238004 0.758045 -0.404311 16H 3s -0.091967 -0.556804 -0.012035 -0.203671 -0.286409 0.174764 16H 1pz -0.004910 0.047345 0.008173 0.014744 0.033069 -0.021466 16H 1px 0.001360 -0.024783 -0.001427 -0.002772 -0.012968 0.009113 16H 1py -0.000368 0.011457 0.007244 0.001201 0.023625 -0.012196 17H 1s 0.003070 -0.012572 0.020339 -0.021746 0.060480 -0.025050 17H 2s 0.016605 -0.365968 0.317541 -0.264312 0.856696 -0.314890 17H 3s -0.151823 0.417623 -0.111879 0.192647 -0.293015 0.029143 17H 1pz 0.001936 0.015331 -0.009660 0.008700 -0.017568 0.006959 17H 1px -0.000938 0.037427 -0.016300 0.013027 -0.034469 0.007078 17H 1py -0.000227 -0.006845 0.011935 -0.005930 0.031637 -0.011523 18H 1s 0.003323 -0.011485 0.018470 -0.029629 -0.056638 -0.029689 18H 2s 0.012938 -0.342210 0.289268 -0.380158 -0.813497 -0.376484 18H 3s -0.137500 0.404611 -0.101165 0.229523 0.273153 0.051001 18H 1pz -0.002118 -0.015288 0.009443 -0.011435 -0.017409 -0.008398 18H 1px 0.000170 -0.035936 0.015081 -0.017819 -0.033358 -0.009395 18H 1py 0.000412 0.004883 -0.010554 0.009929 0.029797 0.013531 19H 1s 0.002627 0.027155 0.014615 0.010516 -0.053557 -0.026230 19H 2s -0.032387 0.622214 0.184873 0.131614 -0.746430 -0.450435 19H 3s -0.075420 -0.572186 -0.005954 -0.161729 0.289795 0.199403 19H 1pz 0.005429 -0.048260 -0.007043 -0.010036 0.031732 0.022978 19H 1px -0.002126 0.025883 0.001193 0.000944 -0.012606 -0.010562 19H 1py 0.000730 -0.013455 -0.006645 0.001879 0.023250 0.014144 20H 1s -0.021059 -0.002362 0.005883 0.007249 0.004274 0.006402 20H 2s -0.150018 0.017690 0.095252 0.115490 0.018152 0.131793 20H 3s 0.207773 -0.484022 -0.820527 0.069286 -0.250335 -0.483472 20H 1pz -0.006609 0.004570 0.005454 0.001182 0.002598 0.005797 20H 1px 0.000380 0.001730 -0.006176 -0.005256 0.003769 -0.001877 20H 1py 0.000638 0.009729 0.014122 0.001819 -0.000224 0.011839 21H 1s -0.003242 0.000583 -0.000430 0.040052 -0.008235 0.002090 21H 2s 0.002059 0.033787 0.000282 0.408777 -0.087363 -0.013787 21H 3s 0.057649 -0.515720 -0.803918 -0.654701 -0.080992 -0.450328 21H 1pz -0.002152 -0.007104 -0.003134 -0.000682 -0.000754 0.000126 21H 1px 0.002275 -0.004903 -0.010581 -0.014977 0.003376 -0.002675 21H 1py -0.002248 -0.001145 0.004171 -0.009204 0.001813 -0.000656 22H 1s 0.006336 0.020123 -0.015696 -0.045662 0.001156 -0.004286 22H 2s 0.137404 0.254149 -0.188634 -0.536096 0.043656 -0.021628 22H 3s -0.074077 -0.485419 -0.517134 1.541772 -0.095609 -0.183344 22H 1pz -0.005361 -0.010493 0.000025 0.020273 -0.003333 -0.000518 22H 1px 0.003183 0.015497 -0.003529 -0.025627 0.003735 0.001850 22H 1py 0.001674 0.002861 0.005846 -0.010852 0.003536 0.004970 23H 1s -0.012398 -0.001667 0.002829 0.007777 0.006551 0.038265 23H 2s -0.110766 -0.030170 0.029237 0.100965 0.074115 0.410066 23H 3s -0.021334 0.234888 -0.601947 -0.411302 0.881419 -1.000059 23H 1pz -0.000573 -0.004793 -0.000879 0.004004 0.000498 0.012284 23H 1px 0.005543 -0.002803 -0.005676 -0.004750 0.005443 -0.010943 23H 1py 0.001607 0.005701 -0.007367 -0.009270 0.007728 -0.014243 24H 1s -0.017538 0.006526 0.001497 -0.010420 0.003831 0.015088 24H 2s -0.109483 0.051199 0.044618 -0.046849 -0.030139 0.218439 24H 3s 0.031301 0.131126 -0.563881 -0.264049 0.850148 -0.560880 24H 1pz -0.004642 0.002795 -0.009000 -0.007300 0.015095 -0.007353 24H 1px 0.003441 -0.000778 -0.008024 -0.005566 0.010585 -0.011744 24H 1py -0.001193 -0.002821 0.000073 -0.003564 -0.002716 0.003335 25H 1s 0.015142 -0.019760 -0.007715 0.015732 -0.000307 -0.039160 25H 2s 0.250293 -0.273829 -0.090430 0.131619 -0.029977 -0.442962 25H 3s -0.350076 0.332301 -0.469565 -0.830885 1.008284 1.170661 25H 1pz -0.007905 0.008842 -0.004413 -0.001596 0.010362 0.010744 25H 1px 0.012560 -0.015954 -0.000556 0.011320 -0.010305 -0.022840 25H 1py -0.001485 0.002883 -0.002240 -0.001689 0.001047 0.001179 26O 1s -0.010503 0.007698 0.000206 -0.003217 -0.001965 0.004927 26O 2s -0.025729 0.017930 -0.000207 -0.007837 -0.005039 0.012375 26O 3s 0.042195 -0.009941 0.012099 0.012704 0.014242 -0.030549 26O 4s 0.084755 -0.106258 -0.039245 0.041104 0.035224 -0.050474 26O 5s -0.086002 -0.739774 -0.112740 -0.102807 -0.591526 1.076578 26O 1pz 0.005526 -0.028969 -0.017825 -0.018267 0.018430 0.030002 26O 1px -0.138622 0.002955 -0.000823 -0.042126 -0.004244 0.051189 26O 1py -0.048421 -0.043895 -0.014159 -0.012411 -0.020521 0.065345 26O 2pz -0.015621 0.007395 -0.015697 -0.030992 0.027561 -0.002692 26O 2px -0.125787 0.068857 -0.002149 -0.035667 0.024903 -0.035222 26O 2py -0.056993 0.003313 -0.012152 0.013275 -0.031878 0.033587 26O 3pz 0.269155 -0.404189 -0.048724 -0.005817 -0.037997 0.232893 26O 3px -0.241277 0.374461 0.207595 -0.020455 0.269640 -0.413448 26O 3py 0.083689 -0.168845 0.050108 -0.155033 0.232589 -0.118130 26O 1dz2 0.002009 -0.002938 -0.000409 0.000918 -0.001144 0.001229 26O 1dxz 0.001882 -0.000573 -0.002327 0.000004 -0.002893 0.004724 26O 1dyz 0.000463 0.002262 -0.000860 0.000431 -0.001613 0.001420 26O 1dx2y2 -0.003515 0.003006 0.001326 -0.000568 0.001363 -0.002847 26O 1dxy -0.001324 0.004271 -0.000066 -0.000141 0.001171 0.000353 26O 2dz2 0.006798 0.008433 0.001333 0.001105 0.010987 -0.016000 26O 2dxz 0.004669 -0.006838 -0.005467 -0.001120 -0.009176 0.020777 26O 2dyz -0.006019 -0.009639 -0.007459 -0.008230 -0.013215 0.022228 26O 2dx2y2 -0.013252 -0.015322 -0.003747 -0.010510 -0.009635 0.024869 26O 2dxy -0.011441 -0.016109 -0.008878 -0.005944 -0.022126 0.045007 26O 1f0 0.000451 -0.000403 -0.000741 -0.000217 -0.000443 0.000990 26O 1f+1 0.000235 -0.001440 -0.000416 -0.000343 -0.001228 0.001728 26O 1f-1 0.000105 -0.001659 -0.000771 -0.000155 -0.000647 0.001601 26O 1f+2 -0.000575 0.001183 0.000517 -0.000250 0.000322 -0.000963 26O 1f-2 -0.000164 -0.000333 0.000493 -0.000130 0.000884 -0.000660 26O 1f+3 -0.000440 -0.000897 0.000319 -0.000351 0.000499 0.000588 26O 1f-3 0.000263 -0.001445 -0.000926 -0.000211 -0.002049 0.002721 27O 1s -0.010169 -0.001685 0.003903 0.008656 -0.002646 0.000405 27O 2s -0.024902 -0.003641 0.008739 0.021127 -0.006995 0.001098 27O 3s 0.040836 -0.006255 -0.001640 -0.035781 0.020162 -0.004530 27O 4s 0.079498 0.026239 -0.069640 -0.108806 -0.016001 0.014836 27O 5s -0.079210 0.762309 -0.092560 0.822420 0.060003 -0.092791 27O 1pz 0.028110 0.020267 -0.033209 0.029488 0.013185 -0.006375 27O 1px -0.129981 -0.018123 0.002681 0.101065 -0.012603 -0.009741 27O 1py 0.014270 0.000122 0.027569 -0.029752 -0.004427 -0.019017 27O 2pz 0.021852 0.002120 -0.030787 0.041080 0.010441 -0.018297 27O 2px -0.121132 -0.061860 -0.007087 0.056406 -0.003923 -0.024142 27O 2py 0.035367 0.016549 0.025843 -0.012524 0.016057 -0.020204 27O 3pz 0.160984 0.225906 -0.110931 -0.013118 0.018072 0.035337 27O 3px -0.178508 -0.600012 0.185491 -0.258015 0.009348 0.033347 27O 3py -0.239762 0.066263 0.094210 -0.014701 -0.148747 -0.025140 27O 1dz2 0.001463 0.001433 -0.000649 -0.001318 -0.000373 0.000398 27O 1dxz 0.002363 0.002080 -0.001437 0.001545 -0.000374 0.000395 27O 1dyz 0.000167 0.000827 -0.000759 0.000180 0.000705 -0.000255 27O 1dx2y2 -0.003434 -0.005680 0.001688 -0.000413 0.000572 0.000778 27O 1dxy -0.001134 -0.001064 0.002021 -0.004220 -0.000403 0.000926 27O 2dz2 0.008366 -0.012642 0.003086 -0.027047 0.004713 -0.005786 27O 2dxz 0.006218 -0.000257 -0.004416 0.007334 -0.000581 -0.000572 27O 2dyz 0.003284 0.006684 0.007708 -0.015173 0.002700 -0.000066 27O 2dx2y2 -0.012675 0.014969 0.002226 0.027452 0.001768 -0.003819 27O 2dxy 0.002337 -0.019830 0.009199 -0.029733 0.008609 -0.002503 27O 1f0 0.000235 -0.000505 0.000072 -0.000103 0.000159 -0.000363 27O 1f+1 0.000380 0.001471 -0.000568 0.001345 -0.000183 -0.000051 27O 1f-1 -0.000256 -0.000522 0.000436 -0.000719 -0.000266 0.000393 27O 1f+2 -0.000336 -0.000234 0.000919 -0.000349 0.000127 0.000072 27O 1f-2 -0.000420 -0.000567 0.000195 0.000310 0.000279 -0.000200 27O 1f+3 0.000126 0.001242 -0.000459 0.001123 -0.000232 0.000318 27O 1f-3 -0.000501 -0.001835 0.001137 -0.001505 0.000482 -0.000039 28O 1s -0.006937 -0.004591 0.001562 -0.000069 0.002368 -0.010490 28O 2s -0.017428 -0.011246 0.003380 -0.000036 0.006271 -0.025012 28O 3s 0.034758 0.023468 0.001234 -0.001928 -0.016971 0.029029 28O 4s -0.001000 0.081224 -0.024815 0.014702 0.028068 0.165679 28O 5s 0.492265 -1.172009 -0.229268 -0.112821 -0.188825 -0.390386 28O 1pz -0.034979 -0.046479 -0.032543 0.029397 -0.009522 -0.065874 28O 1px 0.089522 0.023107 0.001995 0.020118 -0.019027 0.101696 28O 1py 0.011288 0.006093 -0.019336 0.008002 0.006928 -0.017230 28O 2pz -0.052744 -0.019129 -0.031166 0.031984 -0.000815 -0.075638 28O 2px 0.090221 -0.012469 0.004616 0.033244 -0.009906 0.082298 28O 2py 0.005044 0.011486 -0.019168 -0.006325 0.027620 -0.027924 28O 3pz -0.031048 0.483560 0.016217 0.130136 -0.006655 0.088957 28O 3px 0.393653 -0.554959 -0.147906 -0.086677 -0.162942 0.103030 28O 3py 0.091626 0.113944 -0.053905 0.141782 -0.139982 0.092480 28O 1dz2 0.002490 -0.001305 -0.001705 -0.000344 -0.001201 -0.002199 28O 1dxz 0.001914 -0.002213 0.000453 0.000039 0.000677 0.002444 28O 1dyz 0.001697 -0.001928 -0.000577 0.000960 -0.000802 -0.000637 28O 1dx2y2 -0.003795 0.004055 0.001256 0.000138 0.001805 -0.000327 28O 1dxy -0.001703 0.001852 0.001142 -0.001232 0.002212 -0.000207 28O 2dz2 0.009175 -0.012788 -0.006509 0.010704 0.002378 -0.005387 28O 2dxz -0.004967 0.039003 0.009111 0.007381 0.005151 0.024569 28O 2dyz 0.008107 -0.013180 -0.012786 0.004502 0.001512 -0.014236 28O 2dx2y2 -0.005011 -0.015515 0.000190 0.000441 -0.002248 -0.011415 28O 2dxy -0.007578 0.013823 0.000674 0.001879 -0.002634 0.000302 28O 1f0 -0.000023 -0.000884 0.000126 -0.000274 -0.000029 -0.000205 28O 1f+1 0.001137 -0.001810 -0.000859 0.000185 -0.000283 0.000003 28O 1f-1 -0.000123 -0.000005 -0.000290 0.000606 0.000511 0.000848 28O 1f+2 -0.000797 0.002221 0.000662 0.000233 0.000159 0.000025 28O 1f-2 0.000809 -0.001235 -0.000887 0.000003 -0.000482 -0.000434 28O 1f+3 0.000118 0.000766 -0.000250 0.000094 0.000305 0.000216 28O 1f-3 0.000647 -0.000661 -0.000255 -0.000304 0.000062 0.000344 29O 1s 0.008680 0.002562 0.005108 -0.000570 0.012802 -0.001874 29O 2s 0.020835 0.005737 0.010669 -0.001060 0.028458 -0.003442 29O 3s -0.027896 0.000993 0.015731 -0.003706 0.012000 -0.018557 29O 4s -0.126921 -0.062246 -0.184893 0.031491 -0.311922 0.093194 29O 5s 0.088310 -0.026895 0.036756 -0.038802 -0.400298 0.138204 29O 1pz -0.015056 0.033184 -0.000976 0.036789 0.002889 0.004242 29O 1px 0.019260 0.018828 0.028409 0.015982 0.006674 -0.008473 29O 1py 0.010013 0.016544 0.040244 -0.009629 0.100216 -0.055625 29O 2pz -0.009868 0.119968 -0.011956 0.086532 0.008502 0.006918 29O 2px -0.023035 0.047224 0.060091 0.033299 0.017991 -0.043132 29O 2py 0.010040 0.029759 0.101392 -0.023648 0.252031 -0.139156 29O 3pz -0.088369 0.373380 0.047229 0.132143 0.114826 -0.183441 29O 3px 0.222556 0.085521 -0.309960 0.065850 -0.466484 0.334653 29O 3py -0.020765 -0.006951 0.007555 0.008987 0.140509 0.003810 29O 1dz2 -0.000949 0.004053 0.002126 0.001512 0.007554 -0.004277 29O 1dxz -0.001267 -0.001544 0.002239 -0.001464 0.005847 -0.002499 29O 1dyz -0.000533 0.007407 -0.000531 0.003660 0.000082 -0.001383 29O 1dx2y2 0.001374 -0.000307 -0.000075 -0.000351 -0.000910 0.000614 29O 1dxy 0.000885 0.002555 -0.002978 0.001543 -0.006665 0.003017 29O 2dz2 0.000461 -0.030866 -0.000353 -0.009219 -0.004454 0.007189 29O 2dxz -0.005533 0.033051 -0.005886 0.010452 -0.004962 -0.004129 29O 2dyz 0.001663 -0.028879 0.001410 -0.009870 -0.003911 0.006728 29O 2dx2y2 0.003367 0.013805 0.000596 0.003722 0.000172 -0.002048 29O 2dxy -0.000112 -0.008655 0.008667 -0.005450 0.023229 -0.007570 29O 1f0 -0.000212 0.002113 0.001350 0.000469 0.004384 -0.001995 29O 1f+1 -0.000042 0.001929 -0.000694 0.000860 -0.001854 0.000451 29O 1f-1 -0.000068 0.003565 0.001517 0.000784 0.005077 -0.002496 29O 1f+2 0.000112 -0.002007 -0.000460 -0.000347 -0.001783 0.000944 29O 1f-2 0.000481 -0.003397 0.001662 -0.001609 0.003885 -0.001014 29O 1f+3 -0.000253 0.001298 -0.000802 0.000585 -0.001687 0.000375 29O 1f-3 0.000198 0.001652 -0.000686 0.000618 -0.001700 0.000589 30O 1s -0.006536 -0.006632 0.000916 -0.009203 0.002865 0.000549 30O 2s -0.016391 -0.015953 0.001807 -0.021846 0.007106 0.001432 30O 3s 0.032537 0.017311 0.005642 0.024329 -0.014539 -0.005987 30O 4s 0.005678 0.042000 -0.001077 0.154292 -0.036872 0.009926 30O 5s 0.272370 1.011037 -0.690310 -0.401500 0.435704 0.110581 30O 1pz -0.051665 0.009695 -0.024573 -0.071913 -0.017392 -0.021697 30O 1px 0.086858 0.028337 0.003871 0.054903 -0.022712 0.011486 30O 1py 0.037779 -0.047381 0.041971 0.044358 -0.020360 0.025193 30O 2pz -0.062057 -0.024808 -0.007493 -0.080027 -0.042412 -0.032529 30O 2px 0.078868 0.063696 -0.009157 0.034164 -0.004305 0.023260 30O 2py 0.043605 0.016179 0.028224 0.056638 -0.023388 0.044997 30O 3pz -0.038461 -0.103273 0.112446 0.103430 0.004525 -0.086054 30O 3px 0.337804 0.510560 -0.368598 0.061493 0.111863 0.111559 30O 3py 0.027016 -0.204840 -0.100025 -0.166147 0.140185 0.077052 30O 1dz2 0.002121 0.003130 -0.002145 0.001418 0.000994 -0.000460 30O 1dxz 0.001762 0.003267 -0.001266 -0.000080 -0.000523 0.000342 30O 1dyz -0.000872 0.001459 0.001397 0.002051 -0.000480 0.000591 30O 1dx2y2 -0.004126 -0.002262 0.004205 0.002468 -0.000247 -0.000544 30O 1dxy -0.001593 -0.002457 -0.000129 -0.002032 -0.001090 -0.001093 30O 2dz2 0.003374 0.000607 0.002586 0.001129 -0.000777 0.002594 30O 2dxz 0.000945 -0.015605 0.014762 0.009945 -0.010254 -0.004220 30O 2dyz -0.002609 -0.023508 0.026746 0.026016 -0.018054 -0.000457 30O 2dx2y2 -0.010829 -0.003212 0.004111 0.002296 -0.001979 0.004456 30O 2dxy 0.000874 0.009569 -0.015876 -0.012229 0.012964 0.007579 30O 1f0 0.000476 0.000019 -0.000573 -0.000388 0.000571 0.000417 30O 1f+1 0.000340 0.000451 -0.000380 -0.000098 0.000030 0.000170 30O 1f-1 0.000194 0.000085 -0.000372 -0.000293 -0.000283 -0.000373 30O 1f+2 0.000272 -0.001089 0.000246 -0.000136 -0.000202 -0.000131 30O 1f-2 -0.000792 -0.002027 0.002208 0.000540 -0.001085 -0.000618 30O 1f+3 0.000795 0.001100 -0.001415 0.000292 0.000710 0.000047 30O 1f-3 -0.000281 -0.001106 0.000596 -0.000120 -0.000593 -0.000647 31O 1s -0.006696 -0.006662 0.000864 -0.009484 -0.001678 0.000170 31O 2s -0.016898 -0.015958 0.001655 -0.022526 -0.004309 0.000473 31O 3s 0.035538 0.016045 0.006378 0.025486 0.011875 -0.003923 31O 4s 0.000260 0.045747 -0.001865 0.159445 0.012635 0.008357 31O 5s 0.290024 1.007502 -0.707128 -0.449777 -0.349311 0.134378 31O 1pz 0.050189 -0.007919 0.023990 0.066359 -0.029542 0.020022 31O 1px -0.089390 -0.027621 -0.004560 -0.057341 -0.014889 -0.013053 31O 1py -0.037335 0.047175 -0.042971 -0.045803 -0.009857 -0.026098 31O 2pz 0.058778 0.028505 0.005677 0.070256 -0.055721 0.028708 31O 2px -0.079884 -0.064255 0.009447 -0.035114 0.000225 -0.023323 31O 2py -0.042610 -0.016263 -0.028915 -0.058867 -0.010874 -0.046778 31O 3pz 0.029712 0.102292 -0.114455 -0.091592 0.014150 0.103385 31O 3px -0.320146 -0.520406 0.376668 -0.045877 0.116933 -0.135374 31O 3py -0.006967 0.192405 0.106729 0.181577 0.128266 -0.077761 31O 1dz2 0.002075 0.003184 -0.002197 0.001218 -0.001045 -0.000259 31O 1dxz 0.001286 0.003511 -0.001294 0.000092 0.000521 0.000510 31O 1dyz -0.001045 0.001582 0.001385 0.002082 0.000058 0.000397 31O 1dx2y2 -0.003718 -0.002496 0.004238 0.002412 -0.000199 -0.001070 31O 1dxy -0.001318 -0.002682 -0.000032 -0.001877 0.001483 -0.000982 31O 2dz2 0.002732 0.000788 0.002699 0.001208 0.000457 0.002569 31O 2dxz 0.000745 -0.015661 0.015345 0.010766 0.008591 -0.004626 31O 2dyz -0.000730 -0.024713 0.027409 0.027627 0.012984 -0.000944 31O 2dx2y2 -0.012318 -0.002656 0.004181 0.002461 0.001075 0.004250 31O 2dxy -0.000125 0.010169 -0.016524 -0.013689 -0.011290 0.007824 31O 1f0 -0.000396 -0.000071 0.000603 0.000451 0.000542 -0.000504 31O 1f+1 -0.000204 -0.000506 0.000379 0.000087 0.000012 -0.000186 31O 1f-1 -0.000153 -0.000085 0.000362 0.000225 -0.000355 0.000297 31O 1f+2 -0.000358 0.001160 -0.000265 0.000112 -0.000215 0.000037 31O 1f-2 0.000602 0.002142 -0.002264 -0.000650 -0.000967 0.000699 31O 1f+3 -0.000888 -0.001082 0.001449 -0.000186 0.000695 -0.000096 31O 1f-3 0.000162 0.001205 -0.000636 0.000052 -0.000632 0.000596 32O 1s 0.009146 0.002634 0.004723 -0.002219 -0.012569 -0.002869 32O 2s 0.021988 0.005836 0.009815 -0.004726 -0.027987 -0.005658 32O 3s -0.030288 0.002598 0.015308 -0.005382 -0.010712 -0.019187 32O 4s -0.128734 -0.068543 -0.175411 0.070913 0.302881 0.117297 32O 5s 0.079254 -0.036587 0.049874 0.022129 0.390425 0.161904 32O 1pz 0.013557 -0.032696 0.001920 -0.036557 0.005331 -0.005973 32O 1px -0.014515 -0.021584 -0.027753 -0.014974 0.008026 0.007692 32O 1py -0.004277 -0.022436 -0.037033 0.021263 0.095506 0.063339 32O 2pz 0.006817 -0.118891 0.013982 -0.085637 0.012559 -0.010192 32O 2px 0.033285 -0.052859 -0.058552 -0.030489 0.018751 0.041432 32O 2py 0.002980 -0.045347 -0.093199 0.053754 0.240359 0.156916 32O 3pz 0.094111 -0.382831 -0.041807 -0.117557 0.101460 0.182041 32O 3px -0.247069 -0.057339 0.293930 -0.130259 -0.447134 -0.363012 32O 3py 0.000464 0.002360 -0.001804 0.011585 0.140679 0.008390 32O 1dz2 -0.001035 0.004023 0.001924 0.000300 -0.007381 -0.004703 32O 1dxz -0.001367 -0.001492 0.002090 -0.002355 -0.005640 -0.002939 32O 1dyz -0.000546 0.007613 -0.000445 0.003626 -0.000518 -0.001471 32O 1dx2y2 0.001375 -0.000553 -0.000005 -0.000293 0.000836 0.000651 32O 1dxy 0.000955 0.002259 -0.002708 0.002391 0.006251 0.003366 32O 2dz2 0.000774 -0.029496 -0.000388 -0.008093 0.004326 0.006920 32O 2dxz -0.005501 0.033714 -0.005814 0.011476 0.005077 -0.003851 32O 2dyz 0.001923 -0.029959 0.001537 -0.009507 0.003978 0.007142 32O 2dx2y2 0.003670 0.014712 0.000428 0.003917 -0.000065 -0.001907 32O 2dxy -0.000980 -0.006349 0.007693 -0.008449 -0.022136 -0.009584 32O 1f0 0.000232 -0.002112 -0.001125 0.000133 0.003964 0.002112 32O 1f+1 0.000064 -0.001909 0.000707 -0.001189 -0.001977 -0.000680 32O 1f-1 0.000167 -0.003810 -0.001414 -0.000059 0.005104 0.002923 32O 1f+2 -0.000121 0.002131 0.000486 0.000060 -0.001978 -0.001202 32O 1f-2 -0.000424 0.003279 -0.001509 0.002121 0.003611 0.001254 32O 1f+3 0.000218 -0.001125 0.000690 -0.000728 -0.001491 -0.000457 32O 1f-3 -0.000216 -0.001669 0.000630 -0.000853 -0.001593 -0.000677 33O 1s -0.007156 -0.004378 0.001534 -0.000354 -0.001978 -0.010747 33O 2s -0.017943 -0.010708 0.003300 -0.000799 -0.005352 -0.025642 33O 3s 0.035013 0.022425 0.001516 0.000310 0.016095 0.030011 33O 4s 0.002730 0.080582 -0.025756 0.009688 -0.035150 0.167732 33O 5s 0.479697 -1.167025 -0.224481 -0.083757 0.215684 -0.389707 33O 1pz 0.039828 0.044618 0.032146 -0.032356 -0.008231 0.064884 33O 1px -0.089767 -0.021833 -0.002306 -0.022773 -0.011869 -0.104318 33O 1py -0.010242 -0.006691 0.019745 -0.006918 0.006043 0.019005 33O 2pz 0.058612 0.016533 0.031272 -0.035575 0.000836 0.075866 33O 2px -0.090930 0.013615 -0.004687 -0.034549 -0.002123 -0.084468 33O 2py -0.004523 -0.012025 0.020095 0.010452 0.024066 0.030551 33O 3pz 0.039653 -0.478697 -0.016626 -0.120834 0.004568 -0.095300 33O 3px -0.393673 0.552860 0.142446 0.067021 -0.161420 -0.113160 33O 3py -0.077934 -0.117777 0.050514 -0.162780 -0.119442 -0.096744 33O 1dz2 0.002464 -0.001220 -0.001694 -0.000143 0.001365 -0.002210 33O 1dxz 0.002226 -0.002325 0.000445 -0.000061 -0.000801 0.002449 33O 1dyz 0.001820 -0.002003 -0.000564 0.001143 0.000634 -0.000629 33O 1dx2y2 -0.004024 0.004147 0.001206 -0.000116 -0.001717 -0.000432 33O 1dxy -0.001801 0.001949 0.001090 -0.001592 -0.001954 -0.000295 33O 2dz2 0.010032 -0.013156 -0.006609 0.010516 -0.003640 -0.006164 33O 2dxz -0.004247 0.038165 0.008855 0.006458 -0.006913 0.024550 33O 2dyz 0.007204 -0.012588 -0.012886 0.004655 -0.001257 -0.014307 33O 2dx2y2 -0.002967 -0.016510 0.000396 0.000564 0.002483 -0.011748 33O 2dxy -0.007522 0.013862 0.000755 0.002337 0.002548 0.000483 33O 1f0 -0.000018 0.000892 -0.000126 0.000293 -0.000057 0.000205 33O 1f+1 -0.001214 0.001834 0.000848 -0.000228 -0.000243 0.000019 33O 1f-1 0.000093 0.000043 0.000309 -0.000512 0.000598 -0.000839 33O 1f+2 0.000845 -0.002228 -0.000657 -0.000216 0.000177 0.000019 33O 1f-2 -0.000665 0.001149 0.000875 -0.000085 -0.000500 0.000424 33O 1f+3 0.000018 -0.000832 0.000268 -0.000052 0.000289 -0.000217 33O 1f-3 -0.000562 0.000615 0.000259 0.000314 0.000039 -0.000365 34O 1s -0.010028 -0.001918 0.003977 0.008877 0.001118 0.000342 34O 2s -0.024550 -0.004212 0.008941 0.021743 0.003304 0.000941 34O 3s 0.040491 -0.005486 -0.002326 -0.038132 -0.014521 -0.004118 34O 4s 0.079592 0.027761 -0.068684 -0.103857 0.035725 0.011545 34O 5s -0.085488 0.759683 -0.093890 0.796355 -0.167804 -0.081978 34O 1pz -0.032342 -0.019674 0.033707 -0.025726 0.015124 0.005847 34O 1px 0.127578 0.019907 -0.003190 -0.099479 0.002279 0.012576 34O 1py -0.012538 -0.001026 -0.027721 0.028573 -0.009277 0.017540 34O 2pz -0.027616 -0.000680 0.031188 -0.036349 0.013535 0.016323 34O 2px 0.117012 0.064892 0.006779 -0.053298 0.003066 0.024319 34O 2py -0.035167 -0.017330 -0.025237 0.014203 0.013369 0.019887 34O 3pz -0.159609 -0.228668 0.111407 0.006925 0.013741 -0.032642 34O 3px 0.164201 0.602927 -0.183046 0.252272 -0.008433 -0.016925 34O 3py 0.263097 -0.071996 -0.100370 -0.005482 -0.152350 0.022902 34O 1dz2 0.001263 0.001558 -0.000632 -0.001257 0.000569 0.000438 34O 1dxz 0.002316 0.002103 -0.001428 0.001654 0.000195 0.000710 34O 1dyz 0.000173 0.000852 -0.000783 0.000085 -0.000682 -0.000290 34O 1dx2y2 -0.002970 -0.005995 0.001667 -0.000498 -0.000719 0.000632 34O 1dxy -0.001074 -0.001094 0.002039 -0.004049 0.000846 0.000548 34O 2dz2 0.007613 -0.012310 0.002934 -0.027208 -0.000599 -0.005993 34O 2dxz 0.006627 -0.000520 -0.004444 0.007027 -0.000324 -0.000049 34O 2dyz 0.003863 0.006486 0.007586 -0.015095 -0.000362 -0.000839 34O 2dx2y2 -0.014607 0.015891 0.002378 0.026427 -0.005581 -0.004570 34O 2dxy 0.002374 -0.019759 0.008895 -0.030469 -0.004573 -0.003178 34O 1f0 -0.000170 0.000488 -0.000074 0.000155 0.000124 0.000312 34O 1f+1 -0.000294 -0.001516 0.000553 -0.001353 -0.000028 -0.000015 34O 1f-1 0.000223 0.000534 -0.000438 0.000661 -0.000322 -0.000373 34O 1f+2 0.000372 0.000209 -0.000914 0.000354 0.000101 -0.000042 34O 1f-2 0.000459 0.000558 -0.000196 -0.000231 0.000317 0.000156 34O 1f+3 0.000079 -0.001364 0.000453 -0.001137 -0.000063 -0.000270 34O 1f-3 0.000586 0.001788 -0.001114 0.001559 0.000332 0.000175 35O 1s -0.010454 0.007656 0.000292 -0.002988 0.002389 0.005101 35O 2s -0.025475 0.017749 -0.000006 -0.007247 0.006094 0.012849 35O 3s 0.039303 -0.008132 0.011857 0.010860 -0.016085 -0.032392 35O 4s 0.093645 -0.110987 -0.041692 0.036585 -0.036428 -0.049734 35O 5s -0.107001 -0.743378 -0.092704 -0.021247 0.539135 1.113310 35O 1pz -0.002126 0.027358 0.018722 0.022136 0.015946 -0.030709 35O 1px 0.137953 -0.002379 0.000400 0.043158 -0.008971 -0.053251 35O 1py 0.047481 0.045683 0.013440 0.009371 -0.017970 -0.065011 35O 2pz 0.020553 -0.010310 0.017021 0.036735 0.020813 0.002818 35O 2px 0.128429 -0.071437 0.002482 0.041204 0.016107 0.036907 35O 2py 0.055817 -0.001234 0.010652 -0.018050 -0.026544 -0.033134 35O 3pz -0.269349 0.409635 0.046966 -0.003780 -0.017535 -0.234899 35O 3px 0.258676 -0.386340 -0.202250 0.059923 0.252121 0.431714 35O 3py -0.066390 0.153772 -0.041924 0.189389 0.208010 0.135037 35O 1dz2 0.002327 -0.003097 -0.000413 0.001105 0.000947 0.001355 35O 1dxz 0.001920 -0.000591 -0.002256 0.000462 0.002643 0.004778 35O 1dyz 0.000517 0.002211 -0.000816 0.000673 0.001541 0.001511 35O 1dx2y2 -0.004086 0.003330 0.001329 -0.000777 -0.001214 -0.003068 35O 1dxy -0.001551 0.004449 -0.000086 -0.000385 -0.001088 0.000233 35O 2dz2 0.007682 0.008157 0.001046 -0.000536 -0.010281 -0.017384 35O 2dxz 0.005072 -0.007387 -0.005249 0.000052 0.008553 0.021500 35O 2dyz -0.006505 -0.009521 -0.007107 -0.006448 0.013194 0.023248 35O 2dx2y2 -0.011631 -0.016450 -0.003470 -0.009328 0.009837 0.025375 35O 2dxy -0.010096 -0.017574 -0.008272 -0.002863 0.020850 0.046741 35O 1f0 -0.000554 0.000465 0.000731 0.000165 -0.000452 -0.000992 35O 1f+1 -0.000348 0.001533 0.000387 0.000157 -0.001184 -0.001836 35O 1f-1 -0.000106 0.001687 0.000758 0.000048 -0.000596 -0.001658 35O 1f+2 0.000610 -0.001220 -0.000515 0.000296 0.000244 0.001019 35O 1f-2 0.000141 0.000344 -0.000475 0.000258 0.000849 0.000709 35O 1f+3 0.000227 0.001006 -0.000301 0.000449 0.000483 -0.000580 35O 1f-3 -0.000389 0.001554 0.000877 -0.000090 -0.001943 -0.002881 180 181 182 183 184 185 0.39465 0.39586 0.39786 0.39981 0.40265 0.40376 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s 0.000667 0.000237 0.001229 0.001132 0.000154 -0.000308 0Rh 2s -0.001585 -0.001183 -0.002721 -0.005770 -0.001085 0.000072 0Rh 3s 0.002902 0.000650 0.005472 0.003020 0.000222 -0.001752 0Rh 4s 0.006599 0.005366 0.011197 0.026352 0.005019 0.000197 0Rh 5s 0.002705 -0.006508 0.007294 -0.035014 -0.007742 -0.009475 0Rh 6s -0.044323 -0.002255 -0.085628 0.007842 0.003649 0.036313 0Rh 7s 0.242481 -0.050398 0.299634 -0.266717 -0.052699 -0.368088 0Rh 8s 0.038170 0.072312 0.855983 -0.492345 -0.052667 0.304271 0Rh 1pz 0.005471 -0.000143 -0.008615 0.006944 0.001575 -0.005755 0Rh 1px 0.003732 0.001383 -0.002405 0.000280 0.002001 0.003526 0Rh 1py -0.010452 -0.004382 -0.005347 -0.000951 -0.003891 -0.001964 0Rh 2pz -0.018834 0.000474 0.029945 -0.023518 -0.005389 0.020148 0Rh 2px -0.012982 -0.004844 0.008030 -0.000800 -0.006652 -0.011826 0Rh 2py 0.036080 0.015158 0.018334 0.003325 0.013482 0.006778 0Rh 3pz 0.016726 -0.000059 -0.032015 0.013332 0.004035 -0.024516 0Rh 3px 0.014117 0.005903 -0.002524 -0.002446 0.001550 0.004844 0Rh 3py -0.033988 -0.014824 -0.014845 -0.003998 -0.013574 -0.006312 0Rh 4pz 0.026280 -0.002320 -0.020967 0.062541 0.011259 -0.000598 0Rh 4px 0.007795 0.000598 -0.027701 0.013254 0.024154 0.035581 0Rh 4py -0.042333 -0.015943 -0.031155 -0.000493 -0.012936 -0.008449 0Rh 5pz -0.003678 0.006099 -0.040151 -0.063252 -0.013115 -0.069225 0Rh 5px 0.022572 0.012198 0.026673 -0.024082 -0.015648 -0.020717 0Rh 5py -0.015806 -0.008416 0.012357 -0.008113 -0.006011 0.002284 0Rh 6pz 0.001100 -0.098492 0.518381 0.230967 0.058405 0.927517 0Rh 6px -0.371476 -0.127873 -0.129775 0.415530 -0.172655 -0.109184 0Rh 6py 0.321509 0.297701 -0.064550 0.111702 0.058375 -0.083364 0Rh 1dz2 -0.001604 -0.001011 -0.006477 -0.007745 0.007634 0.003022 0Rh 1dxz 0.002898 0.000684 0.002942 -0.001868 0.001699 0.005274 0Rh 1dyz 0.002806 -0.000475 0.008245 0.002966 -0.000035 -0.004272 0Rh 1dx2y2 -0.001309 -0.004571 0.003840 0.004434 -0.007041 -0.001145 0Rh 1dxy 0.001218 0.008280 -0.006865 0.002910 0.004610 0.002295 0Rh 2dz2 -0.000108 -0.000130 0.001086 0.000187 -0.000836 -0.000651 0Rh 2dxz 0.000243 -0.000310 -0.000190 0.000716 -0.000260 -0.000719 0Rh 2dyz 0.000002 0.000232 -0.000504 0.000059 0.000579 0.000253 0Rh 2dx2y2 0.000222 0.000385 -0.001155 -0.000772 0.001437 0.000766 0Rh 2dxy -0.000710 -0.001272 -0.000420 -0.000568 -0.000510 -0.000389 0Rh 3dz2 0.003398 0.002358 0.007387 0.013446 -0.010581 -0.002883 0Rh 3dxz -0.006375 0.000007 -0.004657 0.000364 -0.002047 -0.006765 0Rh 3dyz -0.005212 -0.000235 -0.013116 -0.005710 -0.002309 0.006850 0Rh 3dx2y2 0.001513 0.006780 -0.002148 -0.004818 0.006951 -0.001144 0Rh 3dxy 0.000691 -0.009997 0.014382 -0.002994 -0.006356 -0.002612 0Rh 4dz2 0.000607 0.000648 0.022898 0.012507 -0.020290 -0.012447 0Rh 4dxz 0.000269 -0.005139 -0.005897 0.013158 -0.005546 -0.016038 0Rh 4dyz -0.002291 0.006025 -0.015879 -0.002654 0.007541 0.008099 0Rh 4dx2y2 0.004726 0.011137 -0.020798 -0.016928 0.027958 0.012444 0Rh 4dxy -0.011283 -0.026124 0.002292 -0.011458 -0.012365 -0.008094 0Rh 5dz2 0.014812 -0.004586 -0.040006 0.014149 0.018122 0.033095 0Rh 5dxz -0.037125 0.020919 0.003256 -0.070262 0.013708 0.021137 0Rh 5dyz -0.029590 -0.048939 -0.013729 -0.015217 -0.030041 0.012872 0Rh 5dx2y2 -0.013745 -0.010991 0.055255 0.059485 -0.065539 -0.058231 0Rh 5dxy 0.047294 0.023992 0.065909 0.036106 0.008991 0.016996 0Rh 1f0 -0.002552 -0.002748 0.000734 0.001135 -0.001923 0.000455 0Rh 1f+1 -0.001076 0.001986 0.000012 -0.000800 -0.000576 0.002381 0Rh 1f-1 -0.001288 -0.003029 -0.002652 -0.001265 -0.004051 -0.006224 0Rh 1f+2 -0.002843 -0.001850 0.000073 0.000241 0.001654 0.003998 0Rh 1f-2 -0.000591 0.005311 -0.000078 -0.001357 -0.002603 -0.002933 0Rh 1f+3 0.000438 -0.000127 -0.001043 -0.000522 -0.000072 0.000080 0Rh 1f-3 -0.000587 -0.002479 0.001198 0.000006 0.000478 0.001645 1Rh 1s -0.000583 0.000360 -0.001220 -0.001098 0.000243 0.000072 1Rh 2s 0.001242 -0.001481 0.002678 0.005535 -0.001534 -0.001514 1Rh 3s -0.002628 0.001178 -0.005447 -0.002967 0.000465 -0.000517 1Rh 4s -0.005066 0.006612 -0.010998 -0.025263 0.007069 0.007317 1Rh 5s -0.004149 -0.006121 -0.007549 0.033278 -0.010422 -0.016712 1Rh 6s 0.042146 -0.010080 0.085648 -0.006630 0.004090 0.029510 1Rh 7s -0.220455 -0.022498 -0.301750 0.242999 -0.069162 -0.384241 1Rh 8s -0.052555 0.137958 -0.853305 0.511982 -0.108080 0.187065 1Rh 1pz 0.005116 0.000365 -0.008376 0.007071 -0.002006 0.005648 1Rh 1px 0.004138 -0.001311 -0.002398 -0.000052 -0.002016 -0.003139 1Rh 1py -0.010873 0.004760 -0.005208 -0.000776 0.004015 0.002027 1Rh 2pz -0.017656 -0.001267 0.029106 -0.023974 0.006866 -0.019771 1Rh 2px -0.014382 0.004619 0.008004 0.000314 0.006693 0.010508 1Rh 2py 0.037519 -0.016451 0.017856 0.002737 -0.013913 -0.007020 1Rh 3pz 0.016554 0.001306 -0.030951 0.014077 -0.005195 0.023984 1Rh 3px 0.015455 -0.006085 -0.002444 -0.002910 -0.001438 -0.003985 1Rh 3py -0.035054 0.015834 -0.014426 -0.003697 0.014032 0.007039 1Rh 4pz 0.021227 0.001327 -0.021033 0.061741 -0.013903 0.000915 1Rh 4px 0.009125 0.001103 -0.027891 0.009872 -0.024729 -0.032423 1Rh 4py -0.045233 0.018271 -0.030461 0.001242 0.013242 0.006776 1Rh 5pz 0.003583 -0.001805 -0.037613 -0.059562 0.014478 0.067056 1Rh 5px 0.025496 -0.014562 0.027226 -0.021717 0.016369 0.017114 1Rh 5py -0.013427 0.007264 0.012136 -0.010766 0.006659 0.001946 1Rh 6pz -0.040281 0.059700 0.485618 0.193355 -0.060171 -0.883056 1Rh 6px -0.412272 0.145101 -0.137113 0.425014 0.153278 0.095153 1Rh 6py 0.326172 -0.287477 -0.066331 0.142774 -0.074781 0.039569 1Rh 1dz2 0.002026 -0.001761 0.006420 0.008205 0.007481 0.001459 1Rh 1dxz -0.003510 0.000904 -0.002838 0.002092 0.001136 0.003783 1Rh 1dyz -0.002414 0.000322 -0.008209 -0.003044 -0.000100 -0.003370 1Rh 1dx2y2 0.001232 -0.004207 -0.003917 -0.004996 -0.006935 -0.000998 1Rh 1dxy -0.002019 0.007435 0.007266 -0.002485 0.004912 0.002705 1Rh 2dz2 0.000075 -0.000053 -0.001076 -0.000241 -0.000835 -0.000571 1Rh 2dxz -0.000071 -0.000291 0.000157 -0.000737 -0.000188 -0.000565 1Rh 2dyz 0.000013 0.000196 0.000503 -0.000031 0.000591 0.000249 1Rh 2dx2y2 -0.000256 0.000289 0.001151 0.000883 0.001405 0.000529 1Rh 2dxy 0.000865 -0.001283 0.000365 0.000498 -0.000541 -0.000504 1Rh 3dz2 -0.004042 0.003415 -0.007324 -0.014071 -0.010310 -0.000354 1Rh 3dxz 0.006793 -0.000478 0.004598 -0.000693 -0.001316 -0.004669 1Rh 3dyz 0.004426 -0.001551 0.013045 0.005735 -0.002244 0.005195 1Rh 3dx2y2 -0.001230 0.006521 0.002304 0.005392 0.006899 -0.000391 1Rh 3dxy 0.000145 -0.008393 -0.014894 0.002505 -0.006781 -0.002884 1Rh 4dz2 -0.001518 0.002619 -0.022636 -0.013779 -0.020037 -0.009158 1Rh 4dxz 0.002817 -0.005114 0.005340 -0.013709 -0.003811 -0.011968 1Rh 4dyz 0.002113 0.004611 0.015968 0.003150 0.007815 0.007111 1Rh 4dx2y2 -0.005130 0.009344 0.020859 0.019116 0.027296 0.008739 1Rh 4dxy 0.014312 -0.025300 -0.003473 0.009986 -0.013172 -0.010185 1Rh 5dz2 -0.015528 -0.005766 0.038892 -0.012596 0.017583 0.029141 1Rh 5dxz 0.027758 0.018451 -0.001857 0.070835 0.009427 0.013176 1Rh 5dyz 0.025394 -0.050333 0.011556 0.013841 -0.031063 0.006058 1Rh 5dx2y2 0.017641 -0.006292 -0.054962 -0.064677 -0.061308 -0.035836 1Rh 5dxy -0.052712 0.029572 -0.064842 -0.033224 0.010472 0.024204 1Rh 1f0 -0.002798 0.002726 0.000715 0.001088 0.001857 -0.000616 1Rh 1f+1 -0.001104 -0.001887 -0.000264 -0.000955 0.000534 -0.002438 1Rh 1f-1 -0.000690 0.003198 -0.002362 -0.000895 0.004024 0.006402 1Rh 1f+2 -0.003230 0.001879 0.000070 -0.000178 -0.001480 -0.003261 1Rh 1f-2 -0.000472 -0.005258 -0.000365 -0.001326 0.002625 0.002889 1Rh 1f+3 0.000730 0.000190 -0.001017 -0.000481 0.000080 -0.000033 1Rh 1f-3 -0.000556 0.002374 0.001349 0.000026 -0.000411 -0.001409 2C 1s 0.000672 -0.003805 -0.006660 0.023426 0.012404 -0.004585 2C 2s 0.001273 -0.002009 -0.019837 0.048616 0.027128 -0.008396 2C 3s 0.009369 -0.230436 0.211835 0.042548 -0.025132 -0.050251 2C 4s -0.082784 1.596300 -1.048353 -1.253853 -0.367164 0.496383 2C 5s 0.155332 -3.887966 1.937608 5.116240 1.148526 -2.206838 2C 1pz 0.003095 -0.116987 0.139642 -0.046249 -0.071441 -0.052668 2C 1px 0.017163 -0.040294 0.079948 -0.042179 0.001555 0.015799 2C 1py 0.018004 -0.076536 0.088732 -0.025417 -0.040284 -0.005980 2C 2pz -0.025772 0.019590 -0.022734 0.037270 -0.090597 -0.142093 2C 2px 0.096629 -0.098231 0.233020 -0.174285 0.090896 0.127977 2C 2py 0.054977 -0.000227 -0.004689 0.049228 0.029299 0.004659 2C 3pz -0.003394 1.053183 -1.280855 0.306625 0.060461 0.402994 2C 3px -0.107786 0.360462 -0.642153 0.325518 -0.517401 -0.180453 2C 3py -0.200197 0.678971 -0.591522 0.378008 0.537524 -0.566441 2C 1dz2 -0.000977 0.002153 -0.001795 0.001477 0.001212 -0.002631 2C 1dxz 0.001168 -0.001202 0.002060 -0.002365 0.003592 0.001705 2C 1dyz -0.000419 0.002895 -0.004476 0.001951 0.000109 0.001124 2C 1dx2y2 -0.001144 0.000477 -0.000361 0.000058 0.000803 -0.002782 2C 1dxy 0.000998 -0.000208 0.000802 -0.000034 0.003024 0.001744 2C 2dz2 -0.020999 0.099250 -0.107665 0.079464 0.073663 -0.043797 2C 2dxz -0.002036 0.056534 -0.058952 -0.000886 0.086002 -0.002993 2C 2dyz -0.002055 0.146803 -0.176897 0.059648 0.051084 0.052332 2C 2dx2y2 0.004852 -0.054464 0.069431 -0.021507 0.019707 -0.022903 2C 2dxy -0.000669 0.024489 -0.039615 -0.014298 0.026556 0.033152 2C 1f0 0.000461 0.004948 -0.002468 -0.001265 0.002520 0.001800 2C 1f+1 0.000053 0.004653 -0.004218 -0.002319 0.001153 0.003348 2C 1f-1 -0.002434 0.020333 -0.020718 0.001162 0.002388 0.002456 2C 1f+2 -0.000253 -0.015050 0.010214 0.007765 0.000353 -0.006370 2C 1f-2 -0.001383 0.015837 -0.012831 -0.009505 0.000832 0.004186 2C 1f+3 0.000949 -0.006425 0.001924 0.009961 0.007769 -0.003284 2C 1f-3 0.001826 -0.001948 0.002856 0.000608 0.001449 0.002138 3C 1s 0.005128 0.006877 0.005621 0.017638 -0.002213 0.005775 3C 2s 0.018378 0.009678 0.010632 0.036649 -0.004179 0.013406 3C 3s -0.281866 0.188011 0.049786 0.037960 -0.019227 -0.044032 3C 4s 1.534425 -1.469459 -0.535758 -0.956054 0.208675 0.052405 3C 5s -3.217524 3.424116 2.302860 3.709718 -0.926491 -0.137582 3C 1pz -0.074298 0.035023 0.013702 -0.002030 -0.022307 -0.024378 3C 1px -0.080442 0.036774 0.015139 -0.060923 -0.004194 -0.013340 3C 1py 0.188427 -0.072751 -0.022576 0.009332 0.010228 0.057993 3C 2pz 0.108003 -0.062851 0.032081 0.073825 -0.051529 -0.021272 3C 2px -0.075260 0.066382 0.030621 -0.268227 0.017864 0.017231 3C 2py 0.060942 0.041800 -0.060664 -0.127377 0.029969 0.025182 3C 3pz 0.565810 -0.400783 -0.119311 -0.120713 0.496262 -0.241377 3C 3px 0.603271 -0.404366 -0.035481 0.538518 -0.019565 -0.179222 3C 3py -1.580483 0.902206 0.005080 -0.268411 0.343836 -0.575462 3C 1dz2 -0.000827 0.000099 0.000967 0.002308 -0.002605 0.001398 3C 1dxz 0.000486 0.001264 -0.001436 -0.005127 -0.000292 0.002168 3C 1dyz -0.004851 0.002713 -0.001253 -0.003436 0.001839 -0.001690 3C 1dx2y2 -0.001462 0.001627 -0.000611 -0.002794 -0.001156 0.001259 3C 1dxy -0.001644 -0.000110 0.000673 0.002975 -0.001935 -0.001686 3C 2dz2 -0.051130 0.017521 0.010834 0.014074 -0.040498 0.020456 3C 2dxz 0.077644 -0.040670 0.002141 0.026487 -0.013196 0.043737 3C 2dyz -0.179105 0.086833 0.009260 -0.063954 0.029563 -0.086867 3C 2dx2y2 -0.134124 0.074722 0.012913 -0.039760 -0.038851 0.002679 3C 2dxy -0.140115 0.055440 0.008062 0.021240 -0.018448 -0.041783 3C 1f0 -0.010700 0.003068 0.000234 -0.002510 -0.001599 -0.000815 3C 1f+1 -0.000276 -0.000492 -0.000685 -0.004690 0.000805 0.001473 3C 1f-1 0.004110 -0.003737 -0.002424 -0.007799 0.002302 -0.002093 3C 1f+2 -0.024803 0.019839 0.007026 0.006500 -0.001884 -0.002291 3C 1f-2 -0.019002 0.013820 0.004765 0.009018 -0.002442 -0.003384 3C 1f+3 0.013610 -0.008299 -0.001377 0.002281 -0.000707 0.004865 3C 1f-3 -0.002567 0.000730 0.000403 -0.000336 -0.000244 -0.003024 4C 1s 0.002362 -0.025065 0.014349 0.011852 0.005095 -0.003758 4C 2s 0.005100 -0.055642 0.032319 0.024628 0.010688 -0.007903 4C 3s 0.006491 0.118170 -0.110987 0.023081 -0.010632 -0.002107 4C 4s -0.160316 0.429755 0.026066 -0.629185 -0.127977 0.195170 4C 5s 0.279037 -1.446721 2.183214 -1.257590 -0.037809 0.481976 4C 1pz 0.006198 -0.065367 0.137043 -0.113152 -0.169986 -0.005172 4C 1px 0.040273 -0.061465 0.081824 -0.077440 0.022759 0.063608 4C 1py 0.001687 -0.067874 0.124526 -0.079068 0.002691 -0.068558 4C 2pz -0.013505 0.133685 0.000469 -0.100076 -0.184504 0.124363 4C 2px 0.047356 0.076759 -0.160822 -0.300438 0.044627 0.248458 4C 2py -0.056108 0.111018 0.003526 -0.126938 0.250444 -0.169914 4C 3pz -0.031813 0.174588 -0.178477 0.918242 0.574030 -0.944691 4C 3px -0.292874 0.437317 -0.679919 0.392100 0.303334 -0.184514 4C 3py 0.140471 0.323353 -0.633602 0.456783 -0.779705 0.457667 4C 1dz2 0.003513 -0.004445 0.009901 -0.007420 -0.003337 0.002399 4C 1dxz -0.001389 0.002550 -0.001065 0.000404 -0.010750 -0.005416 4C 1dyz -0.000066 -0.001496 0.006069 -0.007677 -0.005158 -0.002547 4C 1dx2y2 -0.001345 0.003230 -0.008118 0.005660 0.005821 0.001992 4C 1dxy -0.003519 0.003403 -0.007292 0.001753 -0.003966 -0.001701 4C 2dz2 0.019257 -0.167259 0.176633 -0.002249 -0.082780 0.025923 4C 2dxz -0.014763 -0.013465 -0.026934 -0.103063 -0.076170 0.028328 4C 2dyz -0.000108 -0.173924 0.195441 -0.044915 -0.022097 -0.036103 4C 2dx2y2 -0.025407 0.088344 -0.125264 0.024789 0.030186 0.048329 4C 2dxy -0.014534 0.015199 -0.027856 -0.021812 -0.004888 0.000633 4C 1f0 0.000817 0.000241 -0.002648 -0.000315 -0.004074 0.001872 4C 1f+1 0.001041 -0.000047 -0.001518 0.002505 -0.001648 -0.001215 4C 1f-1 0.000168 0.011414 -0.011003 0.003604 0.003370 0.002099 4C 1f+2 -0.000607 -0.005679 0.008868 0.000800 -0.001862 0.002607 4C 1f-2 0.000410 0.006855 -0.007772 -0.001467 -0.002378 0.004442 4C 1f+3 -0.000103 0.000769 0.003301 0.005477 0.002050 -0.002563 4C 1f-3 0.003124 -0.005799 0.005461 0.006587 -0.003300 -0.001202 5C 1s -0.019701 0.020114 0.008938 0.007037 0.000155 -0.001106 5C 2s -0.044602 0.044215 0.019559 0.014666 0.000585 -0.002133 5C 3s 0.173662 -0.082048 -0.026277 0.016151 -0.029310 -0.036620 5C 4s -0.178274 -0.426521 -0.241857 -0.405231 0.176263 0.338720 5C 5s -2.447914 1.156968 0.061529 -1.029168 0.521862 -0.083282 5C 1pz -0.110290 0.011228 -0.010757 -0.035722 0.035833 -0.120868 5C 1px -0.082948 0.067925 0.000363 -0.108436 0.056697 -0.016685 5C 1py 0.175178 -0.028878 -0.002463 0.045265 0.065690 0.038858 5C 2pz -0.015094 -0.069706 -0.079509 -0.135413 0.288345 -0.167657 5C 2px 0.031978 -0.091034 -0.008660 -0.020793 0.006709 -0.083894 5C 2py -0.008708 0.120884 0.037430 0.077265 0.090498 -0.233323 5C 3pz 0.294892 -0.166789 0.589419 0.489119 -0.760929 0.787821 5C 3px 0.420506 -0.618723 -0.036404 0.649120 -0.482429 0.319148 5C 3py -0.407563 0.340591 -0.474326 -0.342645 -0.408332 0.504961 5C 1dz2 -0.002342 0.002902 0.000149 -0.005230 0.002126 -0.002004 5C 1dxz -0.005184 -0.002553 0.002937 0.006018 -0.002712 -0.006989 5C 1dyz 0.005164 -0.000473 0.001492 0.009338 -0.002178 -0.000212 5C 1dx2y2 0.009259 -0.002914 -0.001515 0.011927 0.000326 0.003685 5C 1dxy 0.004467 0.005111 -0.002158 -0.009057 0.005761 0.005175 5C 2dz2 0.025967 -0.003050 -0.000861 -0.009469 0.061367 -0.038493 5C 2dxz -0.084890 0.034880 -0.018198 -0.036616 -0.037568 -0.125879 5C 2dyz 0.223059 -0.138532 -0.008455 0.051442 -0.068277 0.035003 5C 2dx2y2 0.185332 -0.149523 0.008962 0.049320 0.025910 0.038046 5C 2dxy 0.107925 -0.033548 -0.018092 -0.040622 0.058300 0.074123 5C 1f0 -0.008887 0.006013 0.002576 0.003356 -0.003383 -0.006842 5C 1f+1 -0.000800 0.005012 0.000385 -0.001477 -0.001958 -0.002155 5C 1f-1 -0.001536 -0.000280 0.000267 0.002058 -0.006689 0.002989 5C 1f+2 -0.012230 0.006408 -0.000760 -0.002987 0.002206 -0.003573 5C 1f-2 -0.011275 0.006451 0.000040 -0.003728 0.004802 0.008071 5C 1f+3 0.009323 -0.001716 -0.000222 0.001253 -0.000519 -0.000885 5C 1f-3 -0.005152 -0.001457 0.000267 -0.001328 0.001347 0.005563 6C 1s 0.020763 0.020872 -0.007711 -0.006939 -0.000087 -0.002707 6C 2s 0.046925 0.045833 -0.016844 -0.014449 0.000041 -0.005510 6C 3s -0.177380 -0.081219 0.020472 -0.018254 -0.027377 -0.037892 6C 4s 0.154028 -0.465669 0.220267 0.415718 0.177621 0.410845 6C 5s 2.536966 1.118260 0.031311 1.067863 0.443739 -0.150189 6C 1pz -0.111204 -0.008020 -0.010378 -0.028112 -0.035332 0.109335 6C 1px -0.085449 -0.066432 -0.002888 -0.113346 -0.049303 0.031169 6C 1py 0.178510 0.025423 0.002360 0.040473 -0.068935 -0.025235 6C 2pz -0.007121 0.078465 -0.066467 -0.130533 -0.290432 0.147701 6C 2px 0.028879 0.091120 -0.006735 -0.016112 0.000701 0.113512 6C 2py -0.013030 -0.128887 0.035687 0.084384 -0.090528 0.257756 6C 3pz 0.295236 0.108614 0.580530 0.478763 0.761084 -0.749580 6C 3px 0.399697 0.615107 -0.028295 0.660630 0.439070 -0.435016 6C 3py -0.429292 -0.283478 -0.521116 -0.387962 0.416995 -0.557486 6C 1dz2 0.002348 0.002911 -0.000049 0.005321 0.001737 -0.002702 6C 1dxz 0.005101 -0.002302 -0.002983 -0.006670 -0.002498 -0.005202 6C 1dyz -0.005381 -0.000190 -0.001505 -0.009416 -0.001834 -0.000096 6C 1dx2y2 -0.009320 -0.002816 0.001289 -0.011878 0.001109 0.004285 6C 1dxy -0.004411 0.004999 0.002208 0.010022 0.005302 0.003193 6C 2dz2 -0.026650 -0.001459 -0.001285 0.011024 0.061981 -0.031309 6C 2dxz 0.084964 0.031858 0.019691 0.028629 -0.040447 -0.133078 6C 2dyz -0.227866 -0.135890 0.001495 -0.054077 -0.065113 0.034331 6C 2dx2y2 -0.188522 -0.146491 -0.017727 -0.051560 0.029701 0.036477 6C 2dxy -0.112297 -0.033768 0.013675 0.048254 0.059067 0.066349 6C 1f0 -0.009165 -0.006176 0.002148 0.003807 0.003526 0.006873 6C 1f+1 -0.000833 -0.005073 0.000165 -0.001567 0.002040 0.002285 6C 1f-1 -0.001639 0.000294 0.000089 0.002154 0.006713 -0.002888 6C 1f+2 -0.012487 -0.006179 -0.001093 -0.002927 -0.002071 0.003475 6C 1f-2 -0.011507 -0.006204 -0.000351 -0.004463 -0.004746 -0.008792 6C 1f+3 0.009460 0.001469 -0.000043 0.001125 0.000356 0.000569 6C 1f-3 -0.005242 0.001657 0.000248 -0.001490 -0.001382 -0.005947 7C 1s -0.002075 -0.024127 -0.015957 -0.012243 0.005124 -0.003256 7C 2s -0.004646 -0.053588 -0.035891 -0.025528 0.010737 -0.006714 7C 3s 0.004148 0.114608 0.119337 -0.020649 -0.009724 -0.009226 7C 4s 0.082091 0.408721 -0.003578 0.634224 -0.133530 0.210512 7C 5s -0.240639 -1.363008 -2.261406 1.226222 -0.123250 0.450187 7C 1pz 0.018892 0.061183 0.139466 -0.102510 0.171706 -0.007781 7C 1px 0.022559 0.057150 0.084289 -0.080241 -0.016697 -0.054810 7C 1py 0.004729 0.062793 0.130701 -0.071501 0.001184 0.067738 7C 2pz -0.002486 -0.129391 -0.011718 -0.103198 0.186419 -0.131968 7C 2px 0.047139 -0.060609 -0.171166 -0.316694 -0.038790 -0.243167 7C 2py -0.043381 -0.108874 0.003736 -0.124365 -0.245430 0.175027 7C 3pz 0.015185 -0.185294 -0.167704 0.935735 -0.606145 0.955461 7C 3px -0.227673 -0.393504 -0.702015 0.398876 -0.337382 0.174213 7C 3py 0.174248 -0.286266 -0.678531 0.441908 0.737508 -0.486063 7C 1dz2 -0.002809 -0.003953 -0.010059 0.007190 -0.003884 0.001804 7C 1dxz -0.000617 0.002329 0.001261 -0.001178 -0.010150 -0.003168 7C 1dyz -0.000476 -0.001416 -0.006194 0.007090 -0.005318 -0.002325 7C 1dx2y2 0.001509 0.002930 0.008281 -0.005096 0.006051 0.002091 7C 1dxy 0.002007 0.002825 0.007537 -0.001899 -0.003397 -0.000501 7C 2dz2 -0.010892 -0.156716 -0.184649 -0.002382 -0.085362 0.035406 7C 2dxz 0.000768 -0.017386 0.027604 0.100234 -0.077172 0.027413 7C 2dyz -0.007843 -0.165323 -0.208410 0.036468 -0.025905 -0.031469 7C 2dx2y2 0.020565 0.080045 0.131416 -0.018123 0.032915 0.043974 7C 2dxy 0.001584 0.012973 0.029896 0.022576 -0.004199 0.007636 7C 1f0 0.000376 -0.000082 -0.002731 -0.000367 0.004108 -0.001862 7C 1f+1 0.000389 -0.000016 -0.001497 0.002679 0.001635 0.001631 7C 1f-1 -0.000705 -0.010950 -0.011756 0.003067 -0.003420 -0.001193 7C 1f+2 -0.000453 0.005391 0.009314 0.000837 0.001918 -0.002919 7C 1f-2 0.000789 -0.006380 -0.008357 -0.001848 0.002283 -0.004532 7C 1f+3 -0.000639 -0.001132 0.003291 0.005502 -0.002062 0.002364 7C 1f-3 0.001737 0.005148 0.005707 0.006867 0.003306 0.001258 8C 1s -0.005175 0.007799 -0.005454 -0.017183 -0.001851 0.004254 8C 2s -0.018641 0.011601 -0.010561 -0.035647 -0.003329 0.010272 8C 3s 0.288498 0.189603 -0.038797 -0.039053 -0.022382 -0.048033 8C 4s -1.572742 -1.516943 0.460007 0.943960 0.213512 0.142652 8C 5s 3.289581 3.654836 -2.143770 -3.730690 -0.903279 -0.405545 8C 1pz -0.075702 -0.034393 0.010698 0.000341 0.023165 0.022132 8C 1px -0.083022 -0.036702 0.012714 -0.061206 0.009196 0.023800 8C 1py 0.193949 0.072561 -0.017312 0.005275 -0.012416 -0.050325 8C 2pz 0.113415 0.061392 0.034836 0.080868 0.046698 0.013237 8C 2px -0.079851 -0.067627 0.028301 -0.275981 0.002683 0.047075 8C 2py 0.066001 -0.034193 -0.061706 -0.134833 -0.025593 -0.000961 8C 3pz 0.583283 0.397005 -0.077372 -0.118690 -0.500290 0.264831 8C 3px 0.642664 0.397435 -0.002136 0.575584 -0.023963 0.100468 8C 3py -1.614879 -0.883218 -0.043752 -0.257553 -0.316454 0.570873 8C 1dz2 0.000886 0.000173 -0.000852 -0.002291 -0.002505 0.001735 8C 1dxz -0.000518 0.001111 0.001487 0.005374 -0.000572 0.001049 8C 1dyz 0.005038 0.002583 0.001375 0.003558 0.001646 -0.001955 8C 1dx2y2 0.001522 0.001483 0.000740 0.002889 -0.001333 0.000778 8C 1dxy 0.001562 -0.000101 -0.000645 -0.003263 -0.001799 -0.001267 8C 2dz2 0.052077 0.017483 -0.008364 -0.014657 -0.040893 0.023088 8C 2dxz -0.078503 -0.039220 -0.004120 -0.024593 -0.011860 0.046271 8C 2dyz 0.183134 0.084351 -0.004062 0.060653 0.024976 -0.085756 8C 2dx2y2 0.139625 0.073614 -0.006284 0.040814 -0.042600 0.002185 8C 2dxy 0.142556 0.054591 -0.004336 -0.024484 -0.017782 -0.031852 8C 1f0 -0.011041 -0.002923 -0.000134 -0.002581 0.001733 0.000175 8C 1f+1 -0.000487 0.000339 -0.000563 -0.004736 -0.000565 -0.000813 8C 1f-1 0.004316 0.004024 -0.002170 -0.007649 -0.002103 0.002366 8C 1f+2 -0.025446 -0.020268 0.005898 0.006321 0.002286 0.003733 8C 1f-2 -0.019636 -0.014302 0.004026 0.009340 0.002461 0.003242 8C 1f+3 0.013722 0.008107 -0.000906 0.002148 0.000457 -0.005278 8C 1f-3 -0.002717 -0.000708 0.000336 0.000055 0.000256 0.002235 9C 1s 0.000168 -0.003550 0.006144 -0.022678 0.013279 -0.004120 9C 2s 0.000649 -0.001783 0.019159 -0.046813 0.028977 -0.007745 9C 3s -0.014163 -0.218575 -0.227793 -0.050355 -0.024549 -0.037017 9C 4s 0.076840 1.510676 1.168894 1.271020 -0.405668 0.397117 9C 5s -0.230240 -3.676690 -2.247123 -5.172053 1.327192 -1.897360 9C 1pz 0.010670 0.111041 0.146754 -0.036288 0.071545 0.045066 9C 1px 0.013003 0.035692 0.081876 -0.041257 0.001933 -0.009565 9C 1py 0.020059 0.073134 0.094489 -0.022010 0.042036 -0.001794 9C 2pz -0.009249 -0.017247 -0.024503 0.049306 0.081198 0.131957 9C 2px 0.061949 0.084371 0.237389 -0.180849 -0.074334 -0.089402 9C 2py 0.049723 -0.000459 -0.002048 0.044493 -0.027839 -0.018825 9C 3pz -0.032449 -0.986733 -1.350971 0.248994 -0.080612 -0.351885 9C 3px -0.034493 -0.322772 -0.667609 0.333085 0.478801 0.081280 9C 3py -0.182957 -0.666715 -0.630314 0.379316 -0.555677 0.597479 9C 1dz2 0.000602 0.002087 0.001866 -0.001554 0.001329 -0.002550 9C 1dxz -0.000444 -0.001110 -0.002184 0.002520 0.003316 0.000744 9C 1dyz 0.000282 0.002644 0.004680 -0.001760 0.000206 0.001066 9C 1dx2y2 0.000827 0.000434 0.000308 -0.000190 0.000851 -0.002854 9C 1dxy -0.000370 -0.000087 -0.000779 0.000242 0.002773 0.001382 9C 2dz2 0.020818 0.094282 0.110967 -0.075514 0.076981 -0.043201 9C 2dxz 0.006772 0.054002 0.061296 0.005044 0.083739 -0.012282 9C 2dyz 0.010283 0.139723 0.187706 -0.050043 0.054855 0.044403 9C 2dx2y2 -0.003412 -0.051020 -0.074271 0.018828 0.017712 -0.023243 9C 2dxy 0.004933 0.022496 0.041413 0.017957 0.026077 0.023849 9C 1f0 -0.000012 -0.004688 -0.002657 -0.001508 -0.002356 -0.001674 9C 1f+1 -0.000345 -0.004373 -0.004446 -0.002770 -0.001072 -0.002537 9C 1f-1 -0.002526 -0.019111 -0.021978 0.000561 -0.002644 -0.001784 9C 1f+2 0.000340 0.014783 0.011696 0.008506 -0.000708 0.005170 9C 1f-2 -0.001451 -0.014842 -0.013896 -0.009707 -0.000463 -0.002801 9C 1f+3 0.000487 0.005806 0.002269 0.009619 -0.007918 0.002895 9C 1f-3 0.001257 0.002049 0.003156 0.000869 -0.001681 -0.001656 10H 1s -0.009378 0.013395 -0.025720 0.023524 -0.014071 -0.018651 10H 2s -0.110129 0.117314 -0.281144 0.269204 -0.069888 -0.229826 10H 3s 0.177201 1.174463 -0.481194 -1.421849 0.313655 0.898834 10H 1pz -0.002454 -0.010540 0.004288 0.010357 0.000350 -0.008889 10H 1px 0.005312 0.008634 0.003279 -0.023071 -0.000671 0.014973 10H 1py -0.000280 -0.005062 0.005390 0.005517 0.006185 -0.005960 11H 1s 0.001541 -0.000893 0.006484 -0.003991 0.013907 -0.011736 11H 2s 0.048413 -0.072980 0.102198 -0.071625 -0.009043 0.026279 11H 3s -0.144223 1.619382 -1.523702 -0.776338 -0.581383 0.582760 11H 1pz 0.003630 -0.018737 0.012172 0.002780 -0.012658 0.008540 11H 1px 0.003487 -0.017102 0.015172 0.005378 -0.002107 0.001749 11H 1py 0.001225 0.007229 -0.005830 -0.005500 -0.010506 0.007086 12H 1s 0.010398 -0.003246 0.001951 0.002429 0.004763 0.018143 12H 2s 0.118980 -0.089737 0.103267 0.079223 0.199933 0.072342 12H 3s -0.325653 1.668631 -1.267230 -0.810556 -0.437078 -0.066862 12H 1pz -0.002989 0.000401 0.002540 -0.003785 0.002042 -0.011727 12H 1px 0.003732 -0.012860 0.012093 0.005232 0.004631 -0.000734 12H 1py 0.004465 -0.023277 0.020291 0.017095 0.019371 -0.010694 13H 1s 0.014487 -0.012586 0.007776 0.040177 -0.013642 0.000594 13H 2s 0.143418 -0.103326 0.079009 0.426956 -0.086878 -0.021378 13H 3s 1.224875 -1.017167 -0.583795 -1.528217 0.503075 0.253409 13H 1pz -0.009659 0.009523 0.005445 0.012891 0.001276 -0.006921 13H 1px 0.005395 -0.005920 -0.008416 -0.026438 0.005608 -0.000449 13H 1py 0.009907 -0.006967 -0.003185 -0.006702 -0.000792 0.002312 14H 1s 0.006526 0.005050 -0.001693 -0.018827 -0.008867 0.014476 14H 2s 0.000933 0.106480 -0.002140 -0.217343 0.025385 0.025313 14H 3s 1.477416 -1.506731 -0.536825 -0.160957 0.181947 -0.158122 14H 1pz -0.011622 0.011923 0.003503 0.000585 0.006955 -0.008640 14H 1px -0.021407 0.022035 0.004659 -0.003033 0.002457 -0.004773 14H 1py 0.005562 0.000223 -0.000229 -0.003093 -0.007238 0.012035 15H 1s -0.003226 -0.000452 0.000535 0.001725 0.012712 -0.008876 15H 2s -0.109906 0.050372 0.042387 0.103872 -0.021908 0.067339 15H 3s 1.828773 -1.434796 -0.516565 -0.549571 -0.159207 0.257542 15H 1pz 0.012861 -0.011062 -0.002698 -0.007141 -0.005159 0.003088 15H 1px -0.009110 0.006196 0.000883 0.000871 -0.006392 0.003826 15H 1py 0.025160 -0.019298 -0.009660 -0.016885 0.016086 -0.013037 16H 1s 0.000637 0.003491 -0.032257 -0.015657 0.049383 0.016570 16H 2s -0.036820 0.065577 -0.480354 -0.316175 0.608414 0.237497 16H 3s 0.049661 -0.055835 0.164350 0.261512 -0.244987 0.076164 16H 1pz -0.001527 0.005178 -0.023258 -0.027421 0.024890 0.003745 16H 1px 0.004530 -0.001604 0.010323 0.008278 -0.004150 -0.001355 16H 1py -0.001736 0.001103 -0.013113 -0.005153 0.016107 0.013865 17H 1s -0.015243 -0.002205 -0.029200 0.020646 0.027118 0.062885 17H 2s -0.191888 -0.060889 -0.325181 0.256051 0.416321 0.874172 17H 3s 0.091662 0.057193 -0.013039 -0.283800 -0.095337 -0.450916 17H 1pz 0.003468 0.002183 0.005547 -0.010441 -0.006335 -0.022132 17H 1px 0.006473 0.005869 0.004607 -0.016543 -0.015653 -0.036965 17H 1py -0.006121 -0.002173 -0.014010 0.003465 0.018324 0.027545 18H 1s 0.013959 -0.004151 0.029878 -0.017121 0.028117 0.059399 18H 2s 0.180799 -0.084694 0.335318 -0.199011 0.424962 0.814497 18H 3s -0.098060 0.050420 0.007348 0.262187 -0.099106 -0.412793 18H 1pz 0.003453 -0.002568 0.006257 -0.009472 0.007235 0.020940 18H 1px 0.006860 -0.006181 0.005207 -0.013981 0.016023 0.033811 18H 1py -0.005638 0.003346 -0.014234 0.000877 -0.018228 -0.024850 19H 1s -0.002484 0.000156 0.031465 0.019563 0.049124 0.017204 19H 2s 0.002585 0.017193 0.469932 0.366676 0.600013 0.232493 19H 3s -0.029502 -0.033906 -0.156719 -0.277593 -0.239699 0.060519 19H 1pz 0.000586 -0.002700 -0.022237 -0.029039 -0.023629 -0.003292 19H 1px 0.003611 0.000662 0.010361 0.008873 0.004267 0.001358 19H 1py -0.000769 -0.000061 -0.013381 -0.007365 -0.016442 -0.012988 20H 1s 0.003765 0.000170 -0.000985 -0.001466 0.012682 -0.008781 20H 2s 0.121806 0.060621 -0.038603 -0.095137 -0.022636 0.067950 20H 3s -1.880059 -1.482857 0.445981 0.529626 -0.133420 0.352885 20H 1pz 0.013423 0.011580 -0.002356 -0.006861 0.005153 -0.003644 20H 1px -0.009506 -0.006397 0.000475 0.000799 0.006633 -0.002704 20H 1py 0.026228 0.020148 -0.008057 -0.016202 -0.016216 0.012616 21H 1s -0.006553 0.004794 0.001974 0.019967 -0.010382 0.008240 21H 2s -0.003312 0.104695 0.003825 0.226224 0.007472 -0.055432 21H 3s -1.523517 -1.543609 0.455410 0.123119 0.234926 0.045470 21H 1pz -0.011784 -0.012246 0.003184 0.000656 -0.006595 0.010612 21H 1px -0.021666 -0.022238 0.003768 -0.003294 -0.001513 0.009401 21H 1py 0.005558 -0.000212 -0.000417 -0.003684 0.007561 -0.010805 22H 1s -0.015146 -0.011659 -0.008220 -0.041615 -0.011409 0.005803 22H 2s -0.147420 -0.093931 -0.082556 -0.441805 -0.064158 0.041328 22H 3s -1.242928 -1.065227 0.524220 1.574991 0.458245 0.180895 22H 1pz -0.009661 -0.009853 0.005003 0.013323 -0.001608 0.006116 22H 1px 0.005505 0.006784 -0.007991 -0.026952 -0.004612 0.002785 22H 1py 0.010470 0.007254 -0.002804 -0.006957 0.000851 -0.001085 23H 1s -0.006617 -0.002686 -0.001778 -0.000922 0.003867 0.017491 23H 2s -0.078451 -0.076651 -0.109256 -0.065623 0.191292 0.072489 23H 3s 0.242668 1.576246 1.379527 0.802402 -0.427091 -0.103869 23H 1pz -0.001826 -0.000539 0.002714 -0.003037 -0.002269 0.011545 23H 1px 0.002712 0.011701 0.012742 0.005008 -0.004370 0.000384 23H 1py 0.003283 0.021720 0.022432 0.017167 -0.019415 0.009195 24H 1s -0.000182 -0.000462 -0.007055 0.003722 0.014036 -0.014464 24H 2s -0.029349 -0.068290 -0.107256 0.071658 -0.006776 0.000421 24H 3s 0.108248 1.514376 1.648232 0.804046 -0.591191 0.563334 24H 1pz 0.003189 0.018035 0.012929 0.002840 0.012205 -0.009311 24H 1px 0.002645 0.016369 0.016450 0.005556 0.001826 -0.002020 24H 1py 0.001576 -0.006528 -0.006382 -0.005576 0.010643 -0.008137 25H 1s 0.005325 0.012124 0.026298 -0.024343 -0.011495 -0.014374 25H 2s 0.065371 0.103341 0.284305 -0.277192 -0.045387 -0.186062 25H 3s -0.037398 1.130852 0.573195 1.479141 0.234819 0.688436 25H 1pz -0.001263 0.010236 0.005091 0.011047 -0.000712 0.007911 25H 1px 0.002855 -0.008495 0.002368 -0.023618 0.002059 -0.011976 25H 1py -0.000100 0.004457 0.005887 0.005431 -0.005974 0.005278 26O 1s 0.001363 -0.002794 0.002626 -0.005902 -0.001724 -0.000892 26O 2s 0.003250 -0.007104 0.007076 -0.013844 -0.004131 -0.002172 26O 3s -0.004855 0.019511 -0.024336 0.008458 0.006093 0.005920 26O 4s -0.021859 -0.019600 0.042473 0.101674 0.031693 0.000184 26O 5s 0.170387 -0.211059 0.300740 0.211948 -0.189428 -0.031854 26O 1pz 0.009668 0.004859 -0.008707 0.000652 0.061561 0.031415 26O 1px 0.027878 -0.009599 0.058281 -0.082276 -0.014462 0.026478 26O 1py -0.003996 0.008528 0.026014 -0.020206 0.019128 0.026150 26O 2pz 0.002180 0.008996 -0.012355 -0.017850 0.090442 0.030358 26O 2px 0.011824 0.028843 0.015170 -0.129006 0.001582 0.034742 26O 2py 0.000228 0.042642 0.006792 -0.047048 0.002630 0.040117 26O 3pz 0.027557 0.086255 -0.083913 0.162943 -0.047926 0.113556 26O 3px 0.002407 0.149075 -0.073161 -0.239367 0.087844 0.229532 26O 3py -0.078442 0.029809 -0.084391 0.001307 0.219048 0.129218 26O 1dz2 0.000123 -0.001788 0.000655 0.003556 0.000643 -0.000601 26O 1dxz -0.000069 0.001347 -0.002966 0.002058 0.002930 -0.000541 26O 1dyz 0.000241 -0.000191 -0.000964 0.000951 0.001644 -0.000566 26O 1dx2y2 -0.000469 0.000634 0.001980 -0.004008 0.000056 0.000109 26O 1dxy -0.000163 0.001505 -0.002460 -0.003219 0.000232 0.002726 26O 2dz2 -0.009043 0.007143 -0.018199 -0.006117 0.002041 0.012879 26O 2dxz 0.000642 -0.005575 0.003680 0.010179 0.006924 0.001144 26O 2dyz 0.005007 0.002495 0.000239 0.003276 0.014977 0.007746 26O 2dx2y2 -0.000976 -0.007108 0.014913 -0.003145 -0.018905 -0.002982 26O 2dxy 0.006394 -0.007893 0.016212 0.007590 -0.005885 -0.000779 26O 1f0 -0.000490 -0.000093 -0.000710 0.000536 0.000263 0.000255 26O 1f+1 0.000284 -0.000316 0.001170 0.000989 -0.000660 -0.001116 26O 1f-1 0.000100 -0.000481 0.000753 0.001235 0.000346 -0.000244 26O 1f+2 -0.000133 0.000244 0.000079 -0.001268 -0.000376 -0.000440 26O 1f-2 -0.000076 -0.000168 0.000767 -0.000426 -0.000397 -0.000132 26O 1f+3 -0.000070 -0.000182 0.000297 -0.000287 -0.001045 0.000279 26O 1f-3 0.000402 -0.000191 0.000696 0.001197 -0.000709 -0.000924 27O 1s -0.001187 0.002957 -0.001227 -0.004187 0.003073 -0.002932 27O 2s -0.003040 0.007647 -0.002663 -0.010509 0.007236 -0.007071 27O 3s 0.007662 -0.022380 -0.000888 0.020139 -0.007719 0.011193 27O 4s -0.035563 0.026482 0.033743 0.026000 -0.049459 0.036276 27O 5s 0.115626 0.195545 -0.086999 -0.162805 0.134044 -0.115744 27O 1pz 0.008950 -0.007851 -0.028744 -0.019831 -0.006372 0.002640 27O 1px -0.030973 -0.001170 -0.017852 -0.094415 0.012763 -0.010850 27O 1py 0.003433 -0.009365 -0.006595 0.019458 -0.011436 -0.033950 27O 2pz 0.016414 -0.016673 -0.019495 -0.030684 -0.026714 0.018007 27O 2px -0.007422 -0.042757 -0.016435 -0.101628 -0.000318 -0.007169 27O 2py -0.002714 -0.002213 -0.016650 0.034724 -0.027844 -0.017408 27O 3pz 0.010590 0.020787 -0.058314 0.109717 0.115155 -0.022233 27O 3px -0.183388 -0.173745 0.010313 0.104288 0.013077 0.172608 27O 3py -0.009998 0.108151 0.055024 -0.182544 0.085418 -0.244935 27O 1dz2 0.000432 0.000321 0.000615 0.000541 0.000002 -0.000126 27O 1dxz 0.003464 0.000376 0.000691 0.002308 -0.000343 0.003809 27O 1dyz -0.000131 -0.001118 -0.000403 -0.000006 -0.000450 -0.000864 27O 1dx2y2 -0.001814 -0.002104 -0.000198 -0.000322 -0.000716 0.000777 27O 1dxy -0.003915 0.000793 0.001136 0.000171 -0.002239 -0.000381 27O 2dz2 -0.002087 -0.003992 0.004792 0.005421 0.004531 -0.001934 27O 2dxz 0.003658 0.003422 0.001637 0.000031 0.001165 0.003753 27O 2dyz -0.008306 0.002308 -0.002814 0.006304 -0.002104 -0.001665 27O 2dx2y2 -0.003186 0.009217 -0.000976 -0.021467 0.008063 -0.012342 27O 2dxy -0.005165 -0.008753 -0.000206 0.005895 -0.005466 0.002595 27O 1f0 0.000535 -0.000159 -0.000145 -0.000514 0.000513 -0.000201 27O 1f+1 0.000816 0.000208 -0.000006 -0.000342 -0.000009 -0.000225 27O 1f-1 -0.000364 -0.000379 -0.000179 0.000379 -0.000064 -0.000215 27O 1f+2 -0.000111 -0.000405 0.000012 -0.000451 -0.000234 -0.000348 27O 1f-2 0.000731 -0.000255 -0.000533 -0.000907 0.000419 -0.000079 27O 1f+3 -0.000438 0.000284 0.000266 -0.000312 0.000033 -0.001140 27O 1f-3 -0.001298 -0.000528 0.000179 -0.000165 -0.000179 -0.000197 28O 1s -0.001364 0.000030 0.002024 -0.003216 -0.006934 -0.000400 28O 2s -0.003019 -0.000521 0.004956 -0.007679 -0.016710 -0.000795 28O 3s -0.000604 0.011873 -0.007229 0.010704 0.022620 -0.002617 28O 4s 0.039624 -0.082712 0.020163 0.036094 0.096866 0.030601 28O 5s -0.108066 0.432584 -0.652441 -0.179633 -0.181315 -0.038448 28O 1pz 0.001875 0.018700 -0.000758 0.027805 -0.039469 -0.026618 28O 1px 0.017369 -0.042082 0.011075 0.071050 0.071472 0.014485 28O 1py -0.028339 0.015519 -0.011556 0.022694 0.020781 -0.032320 28O 2pz -0.006739 0.023696 0.003140 0.068066 -0.031912 -0.038232 28O 2px 0.017264 -0.051920 0.006618 0.069828 0.071852 0.007928 28O 2py -0.029690 0.022804 -0.027548 0.027045 0.011492 -0.037354 28O 3pz 0.029586 0.003507 0.228525 -0.059692 0.004479 -0.035094 28O 3px 0.054516 0.101100 -0.336247 -0.150799 -0.000100 0.120152 28O 3py 0.002634 -0.001262 0.118762 0.041893 0.109125 -0.085996 28O 1dz2 -0.001198 0.002648 -0.003769 0.001959 0.001938 -0.001046 28O 1dxz 0.000823 -0.002539 -0.000656 0.000601 0.001373 0.001352 28O 1dyz -0.000248 0.000511 -0.002246 0.002283 0.000052 0.001737 28O 1dx2y2 -0.000183 -0.001166 0.003961 -0.001224 -0.002383 -0.000738 28O 1dxy -0.000339 -0.001768 0.002039 -0.000975 0.001464 -0.001497 28O 2dz2 -0.008321 0.007126 -0.014102 0.008106 -0.003840 0.000755 28O 2dxz -0.000223 -0.014679 0.020886 0.010207 0.012241 0.007028 28O 2dyz -0.001422 0.006235 -0.012253 0.011442 -0.006282 -0.012626 28O 2dx2y2 -0.002494 0.009473 -0.010311 -0.017420 -0.019082 0.006592 28O 2dxy 0.001000 -0.002170 0.009153 0.000199 -0.000303 -0.006499 28O 1f0 0.000003 0.000203 0.000210 -0.000780 -0.000077 -0.000377 28O 1f+1 -0.000288 0.000658 -0.001988 0.000134 0.000243 0.000519 28O 1f-1 0.000088 -0.000503 0.000976 0.000089 -0.000021 -0.000311 28O 1f+2 -0.000519 -0.000483 0.000911 0.000444 0.000720 0.000293 28O 1f-2 -0.000137 0.000460 -0.001139 0.000401 0.000699 0.000021 28O 1f+3 -0.000016 -0.000436 0.000218 0.000706 0.000872 0.000039 28O 1f-3 0.000237 -0.000050 -0.000297 -0.000043 0.000493 0.000113 29O 1s -0.002979 -0.001023 -0.006912 0.003667 0.007427 0.005829 29O 2s -0.006771 -0.002186 -0.015332 0.008559 0.016426 0.012350 29O 3s 0.001269 -0.001130 -0.006520 -0.008353 0.009541 0.019529 29O 4s 0.062813 0.032903 0.178664 -0.077718 -0.197030 -0.189469 29O 5s 0.057642 -0.034769 0.151371 0.121592 -0.171764 -0.181364 29O 1pz 0.012413 0.000208 -0.015994 -0.003138 0.023595 -0.031717 29O 1px 0.007607 0.003640 -0.004016 -0.001792 0.015755 -0.003729 29O 1py -0.020603 -0.000969 -0.060091 0.010521 0.075465 0.086233 29O 2pz 0.020880 0.007515 -0.033511 -0.040134 0.050590 -0.085284 29O 2px 0.019839 0.011832 -0.018066 -0.031210 0.038477 0.007163 29O 2py -0.035810 0.005065 -0.134351 0.017439 0.184030 0.214535 29O 3pz 0.045854 0.060133 -0.156258 -0.246247 0.150630 -0.039354 29O 3px 0.025000 -0.003843 0.235520 0.017609 -0.342845 -0.529553 29O 3py -0.053820 -0.035362 -0.060446 -0.033613 0.022190 0.036850 29O 1dz2 -0.000362 0.000695 -0.004261 -0.003124 0.005931 0.003436 29O 1dxz -0.001174 -0.000333 -0.002692 0.001494 0.002770 0.005905 29O 1dyz 0.001145 0.001118 -0.001449 -0.004836 0.001822 -0.004125 29O 1dx2y2 -0.000103 -0.000062 0.000416 0.001483 -0.000546 -0.000219 29O 1dxy 0.000734 -0.000100 0.002416 -0.001283 -0.003424 -0.006608 29O 2dz2 -0.001424 -0.003810 0.008372 0.012547 -0.005750 0.008940 29O 2dxz 0.001176 0.003554 -0.007175 -0.012347 -0.001822 -0.015959 29O 2dyz -0.000045 -0.002495 0.007128 0.014200 -0.005234 0.009131 29O 2dx2y2 0.002144 0.001405 -0.006180 -0.004908 0.004485 -0.003628 29O 2dxy -0.007463 -0.003004 -0.008183 0.001739 0.011074 0.020907 29O 1f0 -0.000496 0.000067 -0.002486 -0.000850 0.002783 0.002173 29O 1f+1 0.000438 0.000275 0.000296 -0.000750 -0.000757 -0.002089 29O 1f-1 -0.000719 0.000175 -0.003006 -0.001517 0.003248 0.002258 29O 1f+2 0.000319 -0.000105 0.001353 0.000675 -0.001055 -0.000554 29O 1f-2 -0.000997 -0.000580 -0.000920 0.001538 0.001769 0.004097 29O 1f+3 0.000534 0.000299 0.000436 -0.000840 -0.000682 -0.001543 29O 1f-3 0.000331 0.000244 0.000374 -0.000741 -0.000756 -0.001906 30O 1s -0.002670 -0.001715 -0.000835 -0.001398 -0.003077 -0.004416 30O 2s -0.007055 -0.003540 -0.001868 -0.002540 -0.007585 -0.010838 30O 3s 0.019113 -0.006069 -0.000617 -0.010779 0.015224 0.022001 30O 4s -0.053389 0.098049 0.030028 0.065527 0.039433 0.043924 30O 5s 0.515459 -0.359781 -0.190552 0.217814 -0.435076 -0.445271 30O 1pz 0.003115 -0.029645 -0.003121 0.043632 0.015207 0.001027 30O 1px 0.005482 0.044138 0.003682 0.020547 0.032770 0.036529 30O 1py 0.015335 0.006299 -0.011311 -0.037801 0.021674 0.023503 30O 2pz 0.012735 -0.046839 0.004492 0.062819 0.043744 0.046284 30O 2px -0.001325 0.049138 0.008028 0.042056 0.014563 0.005768 30O 2py 0.024453 0.007577 0.009015 -0.035798 0.005656 0.009459 30O 3pz -0.171373 0.100004 -0.057507 -0.296261 0.080888 -0.010795 30O 3px 0.277225 -0.051804 -0.012768 0.083862 -0.183945 -0.182627 30O 3py 0.065567 -0.024310 -0.113810 0.128834 -0.096271 -0.172877 30O 1dz2 0.002178 -0.000769 0.000348 0.000645 -0.002702 -0.000071 30O 1dxz 0.001430 0.000610 0.001617 0.002999 0.001203 -0.001240 30O 1dyz -0.002222 0.001462 0.000760 -0.001174 0.000402 -0.001105 30O 1dx2y2 -0.005514 0.001910 -0.000680 -0.003153 0.000728 -0.001091 30O 1dxy 0.000896 -0.002353 -0.001182 -0.001877 0.001575 0.000296 30O 2dz2 -0.000334 0.001258 0.005259 -0.002861 0.009219 0.000671 30O 2dxz -0.008014 0.010231 0.002470 -0.014914 0.021103 0.012803 30O 2dyz -0.012717 0.011543 0.002040 -0.016939 0.010057 0.020308 30O 2dx2y2 -0.003183 -0.004404 0.003201 -0.009121 0.001675 -0.016987 30O 2dxy 0.007722 -0.010831 -0.001246 0.009100 -0.012687 -0.021098 30O 1f0 0.001073 -0.000891 -0.000088 0.000713 -0.000997 -0.000736 30O 1f+1 0.000254 -0.000103 0.000262 0.000122 0.000409 -0.000223 30O 1f-1 0.000613 -0.000163 -0.000231 0.000729 0.000427 -0.000241 30O 1f+2 0.000862 -0.000052 -0.000125 0.000205 0.000430 0.000887 30O 1f-2 -0.001308 0.000615 -0.000074 -0.001135 0.001102 0.001238 30O 1f+3 0.000770 0.000245 -0.000473 0.000492 -0.000595 0.000311 30O 1f-3 0.000147 0.000226 -0.000044 -0.000172 0.000862 0.001337 31O 1s 0.002724 -0.001888 0.000846 0.000911 -0.003093 -0.003641 31O 2s 0.007186 -0.003928 0.001932 0.001377 -0.007625 -0.009057 31O 3s -0.019457 -0.006157 -0.000150 0.012455 0.015423 0.021552 31O 4s 0.053929 0.102578 -0.025834 -0.057217 0.037908 0.024629 31O 5s -0.518625 -0.368292 0.176020 -0.265178 -0.416373 -0.402614 31O 1pz 0.004363 0.029050 -0.001745 0.044884 -0.018043 -0.014093 31O 1px 0.003874 -0.045631 0.002736 0.015912 -0.033183 -0.025643 31O 1py 0.011562 -0.006102 -0.012640 -0.040883 -0.019605 -0.016808 31O 2pz 0.013537 0.045426 0.006368 0.060688 -0.048438 -0.067367 31O 2px -0.003296 -0.051460 0.006913 0.040059 -0.015101 0.007108 31O 2py 0.019188 -0.009682 0.007122 -0.038000 -0.002051 0.001622 31O 3pz -0.161041 -0.088291 -0.053738 -0.293443 -0.068437 0.051521 31O 3px 0.271364 0.045526 -0.014129 0.096447 0.185989 0.213848 31O 3py 0.059383 0.032178 -0.117925 0.139764 0.087024 0.154087 31O 1dz2 -0.002290 -0.000726 -0.000371 -0.000705 -0.002705 -0.000427 31O 1dxz -0.001383 0.000855 -0.001581 -0.002989 0.001233 -0.001401 31O 1dyz 0.002273 0.001515 -0.000671 0.001153 0.000246 -0.001389 31O 1dx2y2 0.005443 0.001725 0.000745 0.003164 0.000595 -0.000963 31O 1dxy -0.000954 -0.002475 0.001008 0.001857 0.001638 0.000820 31O 2dz2 0.000729 0.001576 -0.005383 0.003385 0.009107 0.000606 31O 2dxz 0.008055 0.010140 -0.002411 0.016510 0.020664 0.011605 31O 2dyz 0.013106 0.011424 -0.001173 0.019015 0.009046 0.018609 31O 2dx2y2 0.003559 -0.004289 -0.003503 0.008246 0.001246 -0.016050 31O 2dxy -0.007398 -0.010773 0.000917 -0.010920 -0.012395 -0.020483 31O 1f0 0.001042 0.000873 -0.000071 0.000800 0.000967 0.000696 31O 1f+1 0.000231 0.000070 0.000273 0.000108 -0.000403 0.000227 31O 1f-1 0.000638 0.000148 -0.000210 0.000720 -0.000473 0.000149 31O 1f+2 0.000851 0.000061 -0.000124 0.000139 -0.000479 -0.000978 31O 1f-2 -0.001284 -0.000569 -0.000097 -0.001242 -0.001078 -0.001338 31O 1f+3 0.000783 -0.000231 -0.000487 0.000482 0.000585 -0.000075 31O 1f-3 0.000177 -0.000203 -0.000046 -0.000276 -0.000896 -0.001452 32O 1s 0.002929 -0.001622 0.006833 -0.002999 0.007701 0.006047 32O 2s 0.006722 -0.003520 0.015156 -0.007095 0.017052 0.012893 32O 3s -0.002736 -0.001590 0.006503 0.009585 0.009192 0.017906 32O 4s -0.057395 0.047430 -0.176196 0.059502 -0.203833 -0.194148 32O 5s -0.050029 -0.017728 -0.154446 -0.142335 -0.162444 -0.142327 32O 1pz 0.012558 0.001878 -0.013614 -0.004231 -0.022558 0.030195 32O 1px 0.008176 -0.003081 -0.003301 -0.002676 -0.015426 0.002874 32O 1py -0.016125 0.005297 -0.059747 0.002908 -0.077201 -0.085053 32O 2pz 0.021958 -0.002288 -0.027939 -0.041917 -0.047105 0.079703 32O 2px 0.023648 -0.009753 -0.016408 -0.033368 -0.036400 -0.006882 32O 2py -0.025144 0.004876 -0.134399 -0.001851 -0.187422 -0.208186 32O 3pz 0.067820 -0.047610 -0.145627 -0.252270 -0.137038 0.043747 32O 3px 0.004395 -0.015602 0.241008 0.058287 0.344380 0.496421 32O 3py -0.056038 0.042554 -0.063227 -0.046329 -0.019457 -0.013982 32O 1dz2 0.000076 0.000231 0.004154 0.003439 0.005778 0.003473 32O 1dxz 0.001087 -0.000542 0.002761 -0.001205 0.002833 0.005552 32O 1dyz -0.001371 0.000918 0.001464 0.004923 0.001873 -0.003688 32O 1dx2y2 0.000193 -0.000022 -0.000418 -0.001657 -0.000469 0.000103 32O 1dxy -0.000563 0.000078 -0.002461 0.000780 -0.003416 -0.005952 32O 2dz2 0.002246 -0.002809 -0.007554 -0.011847 -0.005276 0.007676 32O 2dxz -0.002281 0.003004 0.006709 0.011865 -0.002228 -0.015408 32O 2dyz 0.001047 -0.001806 -0.006677 -0.014604 -0.004731 0.008847 32O 2dx2y2 -0.002462 0.000960 0.006138 0.005410 0.004490 -0.003542 32O 2dxy 0.007215 -0.003600 0.008573 0.000430 0.010989 0.018435 32O 1f0 -0.000321 0.000155 -0.002299 -0.001037 -0.002577 -0.001889 32O 1f+1 0.000490 -0.000320 0.000424 -0.000632 0.000893 0.002095 32O 1f-1 -0.000534 0.000118 -0.003045 -0.001847 -0.003324 -0.002223 32O 1f+2 0.000276 -0.000038 0.001461 0.000806 0.001204 0.000713 32O 1f-2 -0.000992 0.000639 -0.000932 0.001290 -0.001755 -0.003721 32O 1f+3 0.000505 -0.000307 0.000413 -0.000682 0.000649 0.001333 32O 1f-3 0.000312 -0.000271 0.000370 -0.000657 0.000753 0.001754 33O 1s 0.000263 0.000059 -0.001994 0.002735 -0.006982 -0.000010 33O 2s 0.000388 -0.000455 -0.004915 0.006526 -0.016808 0.000255 33O 3s 0.003747 0.011845 0.007717 -0.009241 0.022569 -0.005490 33O 4s -0.023160 -0.081133 -0.025094 -0.029308 0.097315 0.032683 33O 5s 0.075799 0.395561 0.681671 0.175197 -0.170594 -0.051553 33O 1pz 0.009098 -0.019247 -0.002332 0.028903 0.036273 0.015094 33O 1px 0.006835 0.039161 0.013761 0.066239 -0.071266 -0.011774 33O 1py -0.025926 -0.014365 -0.010576 0.023442 -0.021998 0.032186 33O 2pz 0.001356 -0.024720 0.001342 0.069098 0.027357 0.020391 33O 2px 0.008724 0.048825 0.009846 0.065213 -0.071336 -0.005353 33O 2py -0.026022 -0.019793 -0.026766 0.028645 -0.013713 0.035963 33O 3pz 0.027351 -0.015677 0.234247 -0.063211 0.004156 0.074421 33O 3px 0.038092 -0.081740 -0.348281 -0.158095 -0.000977 -0.108288 33O 3py -0.005019 -0.012945 0.122545 0.038366 -0.103757 0.099467 33O 1dz2 0.001011 0.002469 0.003848 -0.001917 0.002061 -0.001281 33O 1dxz -0.000543 -0.002544 0.000552 -0.000496 0.001366 0.001426 33O 1dyz 0.000217 0.000432 0.002342 -0.002113 0.000181 0.001977 33O 1dx2y2 0.000070 -0.000973 -0.004049 0.001046 -0.002473 -0.000633 33O 1dxy 0.000294 -0.001719 -0.002246 0.000841 0.001406 -0.001587 33O 2dz2 0.007670 0.006346 0.014582 -0.007750 -0.003454 0.001428 33O 2dxz 0.002439 -0.013397 -0.021959 -0.009212 0.011473 0.005729 33O 2dyz -0.000200 0.005709 0.012418 -0.012016 -0.005503 -0.011884 33O 2dx2y2 0.001334 0.008369 0.011296 0.017165 -0.018988 0.008020 33O 2dxy -0.001166 -0.001630 -0.009579 -0.000685 -0.000428 -0.006329 33O 1f0 0.000015 -0.000205 0.000192 -0.000738 0.000098 0.000429 33O 1f+1 -0.000309 -0.000544 -0.002042 0.000072 -0.000270 -0.000503 33O 1f-1 0.000027 0.000440 0.001021 0.000094 0.000061 0.000397 33O 1f+2 -0.000515 0.000438 0.000959 0.000402 -0.000707 -0.000315 33O 1f-2 -0.000110 -0.000416 -0.001165 0.000354 -0.000724 -0.000007 33O 1f+3 -0.000035 0.000403 0.000259 0.000665 -0.000865 0.000048 33O 1f-3 0.000190 0.000056 -0.000298 -0.000063 -0.000476 -0.000016 34O 1s 0.001198 0.002787 0.001361 0.004289 0.002903 -0.002555 34O 2s 0.003059 0.007255 0.003001 0.010772 0.006796 -0.006171 34O 3s -0.007617 -0.022175 0.000083 -0.020850 -0.006691 0.009933 34O 4s 0.035789 0.029297 -0.033112 -0.025818 -0.049586 0.032303 34O 5s -0.126516 0.194655 0.088495 0.179487 0.130665 -0.145511 34O 1pz 0.010203 0.009989 -0.027941 -0.020398 0.007489 0.009018 34O 1px -0.029562 0.003731 -0.017692 -0.096235 -0.007677 0.015611 34O 1py 0.005110 0.009668 -0.005913 0.022915 0.009484 0.027882 34O 2pz 0.018833 0.018427 -0.018812 -0.030991 0.029029 -0.001842 34O 2px -0.004853 0.045793 -0.014332 -0.100876 0.006235 0.013619 34O 2py -0.001026 0.003024 -0.017087 0.036937 0.024846 0.010715 34O 3pz 0.006683 -0.019535 -0.057407 0.101179 -0.124465 -0.006785 34O 3px -0.191876 0.176502 0.007877 0.097988 -0.015115 -0.175862 34O 3py -0.003849 -0.111263 0.059292 -0.167289 -0.074713 0.245394 34O 1dz2 -0.000377 0.000402 -0.000606 -0.000569 0.000044 -0.000110 34O 1dxz -0.003395 0.000515 -0.000637 -0.002066 -0.000241 0.003870 34O 1dyz 0.000089 -0.001159 0.000349 -0.000051 -0.000428 -0.000732 34O 1dx2y2 0.001923 -0.002202 0.000197 0.000300 -0.000756 0.000962 34O 1dxy 0.004000 0.000818 -0.000996 -0.000317 -0.002258 0.000122 34O 2dz2 0.001773 -0.003779 -0.005050 -0.006099 0.004720 -0.000938 34O 2dxz -0.003694 0.003596 -0.001601 0.000269 0.001000 0.001809 34O 2dyz 0.008291 0.002154 0.002833 -0.006862 -0.001763 -0.000792 34O 2dx2y2 0.002675 0.008952 0.000985 0.021558 0.007262 -0.012324 34O 2dxy 0.005156 -0.009025 0.000142 -0.006758 -0.005209 0.004272 34O 1f0 0.000560 0.000173 -0.000114 -0.000498 -0.000503 0.000276 34O 1f+1 0.000835 -0.000225 0.000008 -0.000354 0.000011 0.000216 34O 1f-1 -0.000409 0.000380 -0.000170 0.000414 0.000053 0.000155 34O 1f+2 -0.000112 0.000414 0.000024 -0.000401 0.000254 0.000243 34O 1f-2 0.000743 0.000299 -0.000503 -0.000900 -0.000395 0.000165 34O 1f+3 -0.000445 -0.000312 0.000275 -0.000279 -0.000019 0.001126 34O 1f-3 -0.001310 0.000546 0.000172 -0.000106 0.000211 0.000164 35O 1s -0.000958 -0.002701 -0.002795 0.005693 -0.001931 -0.000784 35O 2s -0.002233 -0.006815 -0.007514 0.013340 -0.004666 -0.002054 35O 3s 0.002288 0.017764 0.025703 -0.007528 0.007343 0.007870 35O 4s 0.016930 -0.015216 -0.045033 -0.099700 0.031503 -0.010515 35O 5s -0.067811 -0.176970 -0.308347 -0.224866 -0.191721 -0.020166 35O 1pz 0.005466 -0.005022 -0.008947 -0.003347 -0.059491 -0.020591 35O 1px 0.022730 0.007389 0.058698 -0.081341 0.018566 -0.020649 35O 1py -0.010982 -0.010062 0.024678 -0.022911 -0.016242 -0.024190 35O 2pz 0.000687 -0.008964 -0.012479 -0.022452 -0.086406 -0.013001 35O 2px 0.014706 -0.027039 0.013643 -0.129642 0.003347 -0.025509 35O 2py -0.003360 -0.042474 0.002820 -0.051438 0.000893 -0.040537 35O 3pz 0.001764 -0.081007 -0.093184 0.157259 0.032481 -0.152749 35O 3px 0.037915 -0.133580 -0.086187 -0.253048 -0.091558 -0.253336 35O 3py -0.075045 -0.020089 -0.087006 -0.008270 -0.225848 -0.119252 35O 1dz2 -0.000006 -0.001634 -0.000764 -0.003512 0.000667 -0.000756 35O 1dxz 0.000571 0.001248 0.003024 -0.001869 0.003001 -0.000656 35O 1dyz -0.000117 -0.000201 0.000898 -0.000890 0.001640 -0.000649 35O 1dx2y2 0.000203 0.000659 -0.001914 0.003981 -0.000038 0.000306 35O 1dxy 0.000217 0.001275 0.002585 0.003408 0.000210 0.002520 35O 2dz2 0.007679 0.005593 0.018915 0.007203 0.002314 0.013732 35O 2dxz 0.001413 -0.004941 -0.004031 -0.009575 0.006800 0.000471 35O 2dyz -0.002422 0.002961 0.000024 -0.002337 0.014591 0.006061 35O 2dx2y2 0.003169 -0.006150 -0.015100 0.001909 -0.019413 -0.003926 35O 2dxy -0.002121 -0.006303 -0.016555 -0.008002 -0.006465 -0.001756 35O 1f0 -0.000588 0.000125 -0.000706 0.000494 -0.000256 -0.000156 35O 1f+1 0.000130 0.000202 0.001190 0.001086 0.000652 0.001084 35O 1f-1 -0.000058 0.000397 0.000788 0.001242 -0.000363 0.000200 35O 1f+2 -0.000029 -0.000220 0.000070 -0.001204 0.000407 0.000434 35O 1f-2 -0.000008 0.000158 0.000777 -0.000378 0.000384 0.000004 35O 1f+3 -0.000125 0.000192 0.000290 -0.000254 0.001051 -0.000223 35O 1f-3 0.000153 0.000084 0.000707 0.001271 0.000719 0.001007 186 187 188 189 190 191 0.40462 0.40668 0.41076 0.41283 0.41360 0.42030 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s 0.001561 -0.000372 0.001862 0.001980 -0.000018 0.000515 0Rh 2s -0.006873 0.001304 -0.007010 -0.006547 0.000071 -0.002192 0Rh 3s 0.004835 -0.001362 0.006501 0.007478 -0.000057 0.001640 0Rh 4s 0.031023 -0.005766 0.031165 0.028696 -0.000184 0.009865 0Rh 5s -0.034386 0.004188 -0.025759 -0.015942 -0.001873 -0.010389 0Rh 6s -0.018310 0.012008 -0.053797 -0.080882 0.013200 -0.007794 0Rh 7s -0.113382 -0.237560 0.035034 0.219091 0.251461 0.001016 0Rh 8s -0.652148 0.380537 -0.635809 0.190913 -0.679086 -0.428488 0Rh 1pz -0.001598 0.005548 -0.001631 -0.003254 0.004454 -0.004777 0Rh 1px -0.002106 0.006279 -0.000207 -0.003014 -0.004707 -0.002117 0Rh 1py 0.001035 0.003201 -0.006238 0.002836 -0.002658 0.000783 0Rh 2pz 0.005225 -0.019637 0.005545 0.011283 -0.015315 0.016643 0Rh 2px 0.007161 -0.021705 0.000677 0.010147 0.016252 0.007408 0Rh 2py -0.003453 -0.010930 0.021515 -0.009725 0.009232 -0.002712 0Rh 3pz 0.000795 0.027780 -0.003471 -0.011615 0.013254 -0.018445 0Rh 3px -0.004475 0.021205 0.000034 -0.004594 -0.015378 -0.008767 0Rh 3py 0.000879 0.007958 -0.019553 0.007667 -0.009793 0.002732 0Rh 4pz -0.028878 -0.013501 -0.013667 -0.008911 0.021972 -0.008712 0Rh 4px -0.018608 0.021014 -0.003331 -0.031509 -0.018281 -0.002179 0Rh 4py 0.013479 0.022055 -0.029479 0.017941 -0.006195 0.002397 0Rh 5pz 0.045961 0.091646 0.013651 -0.018660 0.006751 -0.036036 0Rh 5px 0.026886 0.030658 0.004990 0.038731 -0.012905 -0.015402 0Rh 5py -0.018827 -0.013852 -0.000496 -0.006198 -0.017682 0.002112 0Rh 6pz -0.372063 -1.117432 -0.163756 0.262264 -0.310078 0.659557 0Rh 6px -0.076057 -0.516016 0.169991 -0.270759 0.073673 0.251223 0Rh 6py 0.208128 -0.050052 0.376071 -0.342130 0.245801 0.077235 0Rh 1dz2 -0.008026 0.004335 0.003823 0.007239 0.001969 0.007432 0Rh 1dxz -0.008856 -0.004926 -0.003281 -0.000410 -0.002935 0.014451 0Rh 1dyz 0.006203 0.008215 -0.013417 -0.007759 0.001177 0.003587 0Rh 1dx2y2 -0.001797 0.001395 -0.001376 0.012278 0.000840 0.010603 0Rh 1dxy 0.002139 -0.000752 0.012129 -0.012685 0.001965 0.012368 0Rh 2dz2 0.000102 0.000095 0.000650 0.000922 0.000147 0.000216 0Rh 2dxz 0.000566 0.000197 0.001110 0.000770 0.000487 -0.000650 0Rh 2dyz -0.000170 -0.000103 0.001188 0.000385 0.000110 -0.001137 0Rh 2dx2y2 -0.000844 -0.000054 -0.000618 -0.000984 0.000026 -0.000473 0Rh 2dxy -0.000455 0.000845 -0.001026 0.000834 -0.000078 -0.001146 0Rh 3dz2 0.014278 -0.008357 -0.009815 -0.017272 -0.004263 -0.014632 0Rh 3dxz 0.013954 0.008321 0.001360 -0.002503 0.003413 -0.024203 0Rh 3dyz -0.010801 -0.014666 0.019843 0.012738 -0.002613 -0.001913 0Rh 3dx2y2 0.006989 -0.002353 0.005236 -0.018447 -0.001590 -0.017663 0Rh 3dxy -0.002010 -0.002082 -0.018066 0.020064 -0.003281 -0.018162 0Rh 4dz2 0.012877 -0.004396 0.004440 0.003149 0.000244 -0.006407 0Rh 4dxz 0.018914 0.007729 0.019733 0.011595 0.010443 -0.024718 0Rh 4dyz -0.008860 -0.011861 0.031048 0.014158 -0.000107 -0.018192 0Rh 4dx2y2 -0.010601 -0.001919 -0.009020 -0.029650 -0.002556 -0.019484 0Rh 4dxy -0.008777 0.012044 -0.028774 0.024600 -0.003962 -0.029609 0Rh 5dz2 -0.002988 -0.018870 -0.069857 -0.092178 -0.040145 -0.040115 0Rh 5dxz -0.014244 0.032232 -0.070780 -0.060446 -0.035201 -0.049877 0Rh 5dyz -0.033390 -0.018728 -0.004863 0.011552 -0.012513 0.046972 0Rh 5dx2y2 0.099874 -0.014936 0.082156 0.031343 0.043348 -0.010019 0Rh 5dxy 0.025100 -0.047419 0.011760 0.033207 0.010538 0.014014 0Rh 1f0 0.000462 -0.005687 0.003378 -0.000455 -0.000794 -0.000244 0Rh 1f+1 0.000879 -0.002861 -0.000247 -0.001168 -0.001525 0.001691 0Rh 1f-1 -0.000297 0.004757 0.003070 -0.001906 -0.001622 -0.000091 0Rh 1f+2 -0.004751 -0.003669 -0.000898 0.000478 -0.000085 0.000064 0Rh 1f-2 0.000807 -0.000020 -0.000303 -0.004976 -0.000239 0.001513 0Rh 1f+3 0.000600 0.003349 -0.003310 -0.001052 -0.001714 -0.001220 0Rh 1f-3 -0.001566 -0.001334 0.001217 0.000234 -0.000120 -0.003182 1Rh 1s -0.001571 -0.000322 -0.001866 -0.001957 -0.000224 -0.000531 1Rh 2s 0.006711 0.001036 0.006993 0.006425 0.000820 0.002269 1Rh 3s -0.004990 -0.001234 -0.006539 -0.007418 -0.000798 -0.001689 1Rh 4s -0.030209 -0.004540 -0.031080 -0.028146 -0.003503 -0.010218 1Rh 5s 0.032031 0.002493 0.025505 0.015371 0.000636 0.010790 1Rh 6s 0.023511 0.012626 0.054118 0.079953 0.019859 0.008028 1Rh 7s 0.053958 -0.249298 -0.060107 -0.242607 0.242282 0.005985 1Rh 8s 0.687877 0.347244 0.679661 -0.137974 -0.669549 0.418253 1Rh 1pz -0.000764 -0.005458 -0.001709 -0.002786 -0.004677 -0.005011 1Rh 1px -0.002645 -0.006192 -0.000708 -0.003333 0.004451 -0.002046 1Rh 1py 0.001668 -0.003005 -0.006372 0.002579 0.002610 0.000434 1Rh 2pz 0.002307 0.019332 0.005830 0.009657 0.016084 0.017458 1Rh 2px 0.008974 0.021402 0.002405 0.011245 -0.015384 0.007151 1Rh 2py -0.005645 0.010266 0.021975 -0.008837 -0.009059 -0.001498 1Rh 3pz 0.004316 -0.027591 -0.004062 -0.009887 -0.013955 -0.019344 1Rh 3px -0.005337 -0.020842 -0.001568 -0.005529 0.014916 -0.008330 1Rh 3py 0.003075 -0.007566 -0.019907 0.006828 0.009500 0.001464 1Rh 4pz -0.028700 0.014252 -0.012787 -0.007834 -0.022951 -0.009134 1Rh 4px -0.023577 -0.020934 -0.005339 -0.033099 0.015881 -0.002649 1Rh 4py 0.015585 -0.020338 -0.030310 0.016936 0.006513 0.001449 1Rh 5pz 0.055974 -0.092413 0.011344 -0.015273 -0.007075 -0.037809 1Rh 5px 0.028815 -0.030152 0.003248 0.038316 0.015409 -0.013567 1Rh 5py -0.017468 0.012130 -0.000357 -0.007073 0.016612 0.000496 1Rh 6pz -0.506406 1.130152 -0.142269 0.204579 0.311885 0.682937 1Rh 6px -0.048681 0.502291 0.197667 -0.269716 -0.077145 0.239437 1Rh 6py 0.187249 0.055954 0.382947 -0.319564 -0.247876 0.107286 1Rh 1dz2 0.008623 0.004311 -0.003581 -0.007184 0.001047 -0.007327 1Rh 1dxz 0.009630 -0.005333 0.003155 0.000652 -0.002557 -0.014593 1Rh 1dyz -0.006702 0.008005 0.013526 0.007631 0.002643 -0.003474 1Rh 1dx2y2 0.001538 0.001459 0.001236 -0.012411 -0.000109 -0.010578 1Rh 1dxy -0.001383 -0.000505 -0.012192 0.012444 0.002475 -0.012689 1Rh 2dz2 -0.000206 0.000131 -0.000685 -0.000941 0.000063 -0.000222 1Rh 2dxz -0.000698 0.000237 -0.001098 -0.000791 0.000367 0.000695 1Rh 2dyz 0.000238 -0.000090 -0.001175 -0.000386 0.000004 0.001110 1Rh 2dx2y2 0.000964 -0.000061 0.000650 0.001001 0.000129 0.000464 1Rh 2dxy 0.000339 0.000814 0.001049 -0.000801 -0.000114 0.001208 1Rh 3dz2 -0.014949 -0.008466 0.009518 0.017253 -0.002200 0.014461 1Rh 3dxz -0.014839 0.008910 -0.001175 0.002145 0.003218 0.024284 1Rh 3dyz 0.011446 -0.014337 -0.020094 -0.012500 -0.004883 0.001814 1Rh 3dx2y2 -0.007019 -0.002436 -0.005114 0.018620 -0.000277 0.017656 1Rh 3dxy 0.001096 -0.002407 0.018088 -0.019753 -0.004083 0.018499 1Rh 4dz2 -0.014981 -0.003883 -0.005259 -0.003544 0.000239 0.006208 1Rh 4dxz -0.021576 0.008758 -0.019472 -0.012206 0.008300 0.025470 1Rh 4dyz 0.010265 -0.011423 -0.031053 -0.014018 -0.003191 0.017707 1Rh 4dx2y2 0.012619 -0.002184 0.009699 0.030160 0.000188 0.019293 1Rh 4dxy 0.006303 0.011302 0.029169 -0.023860 -0.004903 0.030795 1Rh 5dz2 0.007318 -0.021530 0.072160 0.095111 -0.029722 0.039789 1Rh 5dxz 0.018128 0.030941 0.072254 0.061910 -0.027714 0.048002 1Rh 5dyz 0.033621 -0.018919 0.004406 -0.010501 -0.013168 -0.045943 1Rh 5dx2y2 -0.107816 -0.012708 -0.085853 -0.035258 0.037585 0.011211 1Rh 5dxy -0.020863 -0.045846 -0.013433 -0.034744 0.008377 -0.015757 1Rh 1f0 0.000440 0.005581 0.003598 -0.000569 0.000891 -0.000292 1Rh 1f+1 0.000581 0.002820 -0.000176 -0.001377 0.001446 0.001751 1Rh 1f-1 0.000715 -0.004780 0.002916 -0.001814 0.001596 -0.000342 1Rh 1f+2 -0.005262 0.003696 -0.000776 0.000369 0.000098 0.000034 1Rh 1f-2 0.001365 0.000016 -0.000228 -0.004830 -0.000212 0.001456 1Rh 1f+3 0.000603 -0.003269 -0.003510 -0.001177 0.001509 -0.001219 1Rh 1f-3 -0.001950 0.001331 0.001227 0.000216 0.000228 -0.003014 2C 1s -0.005391 0.023485 -0.017748 0.009513 -0.026122 -0.015387 2C 2s -0.012094 0.049841 -0.037893 0.019016 -0.052512 -0.030953 2C 3s 0.027658 0.003319 -0.015615 0.062311 -0.142242 -0.095583 2C 4s 0.087424 -0.992742 0.855521 -0.798410 2.011116 1.231460 2C 5s -0.584886 4.792720 -1.689081 1.487212 -6.453630 -2.630086 2C 1pz 0.039813 -0.062357 0.078298 0.044265 -0.017865 -0.001779 2C 1px -0.025675 -0.036709 -0.047169 -0.028892 -0.009500 0.038554 2C 1py 0.053796 -0.050479 0.024290 -0.055975 0.010908 -0.048203 2C 2pz 0.030376 0.058784 0.190102 0.179891 -0.032026 0.055818 2C 2px -0.157547 -0.070147 -0.313831 -0.196431 -0.014848 0.201166 2C 2py 0.110362 -0.011056 -0.029990 -0.267827 0.077797 -0.146042 2C 3pz -0.197855 0.836885 0.002547 -0.600031 0.029950 0.269591 2C 3px 0.536419 0.467074 0.489077 0.033240 -0.113050 -0.345152 2C 3py -0.251245 0.283257 0.017747 0.008840 -0.127051 0.406658 2C 1dz2 -0.000354 0.000283 0.000633 0.003340 -0.000181 0.001270 2C 1dxz -0.005031 -0.000662 -0.004979 -0.001784 0.000046 0.006653 2C 1dyz -0.000865 0.002815 0.001785 0.000486 0.001993 0.001061 2C 1dx2y2 -0.001132 -0.000715 0.002128 0.005214 -0.000478 0.000727 2C 1dxy -0.001031 -0.000609 -0.003718 -0.006522 0.002564 0.000501 2C 2dz2 -0.009746 0.039503 -0.022302 -0.005261 -0.004177 0.008942 2C 2dxz -0.046097 0.020629 -0.030936 -0.025240 0.027694 0.000267 2C 2dyz -0.038419 0.115210 -0.068783 -0.017099 0.008032 0.010786 2C 2dx2y2 0.004179 -0.057246 -0.017743 -0.028922 0.003119 -0.013841 2C 2dxy -0.048689 0.025967 -0.025590 0.011395 0.010959 0.017211 2C 1f0 0.001917 -0.004165 -0.001068 -0.010614 0.006735 0.003417 2C 1f+1 -0.003702 0.003179 -0.002911 -0.000721 0.001901 0.004129 2C 1f-1 -0.001793 0.003580 0.003300 -0.000784 0.009479 0.005214 2C 1f+2 0.002122 0.004579 -0.000983 0.007997 -0.014355 -0.013629 2C 1f-2 -0.002010 -0.005942 0.006157 -0.009292 0.017487 0.008427 2C 1f+3 -0.001350 0.007754 -0.009328 0.001686 -0.011794 -0.010727 2C 1f-3 -0.002179 0.002245 -0.006712 -0.000759 -0.003020 0.002927 3C 1s -0.016867 -0.007865 0.018224 -0.017817 -0.036569 -0.003818 3C 2s -0.035395 -0.017701 0.038141 -0.036305 -0.074813 -0.008669 3C 3s -0.023497 0.046819 0.042281 -0.074748 -0.133750 0.010051 3C 4s 0.859176 0.034448 -1.026186 1.242688 2.390269 0.105158 3C 5s -2.905779 -0.907135 2.095940 -3.230390 -9.025218 0.654765 3C 1pz 0.020363 0.034993 -0.009939 0.021973 0.021252 0.085583 3C 1px -0.047459 -0.002642 -0.023422 0.034761 0.004768 -0.032881 3C 1py -0.067847 -0.061190 0.056322 -0.010050 -0.025707 -0.009103 3C 2pz 0.023860 -0.004892 0.025958 0.072023 0.009439 0.345438 3C 2px -0.348311 -0.148030 -0.037589 0.142193 -0.019881 -0.219054 3C 2py -0.130476 -0.022610 0.112168 -0.001041 0.029842 -0.000479 3C 3pz -0.128629 -0.609290 -0.122202 -0.068309 -0.305657 -0.500873 3C 3px 0.278740 0.185564 0.131989 0.246172 -0.281426 0.472947 3C 3py 0.207974 0.211506 0.068056 -0.090859 0.545529 -0.195008 3C 1dz2 0.001714 0.003052 0.000214 -0.000955 -0.000744 0.002228 3C 1dxz -0.006026 -0.002972 0.001460 0.002122 0.000250 -0.002162 3C 1dyz -0.000374 0.000173 -0.000085 -0.001276 -0.000616 -0.006497 3C 1dx2y2 -0.002075 -0.000275 0.001169 -0.000138 0.001104 0.001448 3C 1dxy 0.001783 0.003316 0.000941 0.001412 -0.000648 0.005868 3C 2dz2 0.012113 0.042265 -0.008780 0.025009 0.001397 0.024793 3C 2dxz 0.006722 -0.007806 -0.005293 -0.032528 -0.010763 -0.012574 3C 2dyz 0.042052 0.038640 -0.047320 -0.000565 0.050483 0.023175 3C 2dx2y2 0.022337 0.060952 -0.044845 -0.014960 0.043555 -0.019972 3C 2dxy 0.062815 0.081836 -0.005273 0.028346 0.012628 0.025176 3C 1f0 0.005912 0.006026 -0.005991 0.002700 0.006239 -0.002732 3C 1f+1 -0.002816 -0.001372 -0.001758 0.004269 0.003134 -0.006422 3C 1f-1 0.000857 -0.000932 -0.004022 0.005246 0.010114 0.003471 3C 1f+2 -0.010413 0.000869 0.008365 -0.012312 -0.022943 -0.002749 3C 1f-2 -0.001430 0.003925 0.007269 -0.008789 -0.016130 0.003865 3C 1f+3 0.001674 -0.002044 -0.001850 -0.001805 0.002342 -0.001656 3C 1f-3 0.005881 0.003908 -0.003904 -0.002856 0.003861 0.004268 4C 1s -0.006206 -0.001643 -0.010399 0.007014 0.005521 0.001682 4C 2s -0.012512 -0.003908 -0.022038 0.014745 0.011873 0.003336 4C 3s -0.035324 -0.017167 0.000900 -0.010956 -0.007502 0.033859 4C 4s 0.436972 0.256458 0.414035 -0.268706 -0.130166 -0.197744 4C 5s -0.142728 -2.077377 -0.312851 0.582310 2.265271 0.740965 4C 1pz 0.107416 -0.107969 0.144827 0.011181 -0.007237 -0.039751 4C 1px -0.020117 -0.004440 -0.086718 -0.090971 0.034207 0.061969 4C 1py 0.021344 -0.117663 0.074665 -0.030331 -0.004049 0.017916 4C 2pz 0.105206 0.082944 0.144171 0.003167 0.057854 -0.036845 4C 2px 0.111927 0.055056 -0.108013 -0.137527 0.090778 -0.060963 4C 2py 0.022160 -0.135616 0.039499 -0.040564 0.054449 0.000561 4C 3pz -0.380022 0.998491 0.094783 -0.691535 -0.209916 0.830635 4C 3px -0.074718 -0.388959 0.797732 0.434116 0.027756 -0.115182 4C 3py 0.076772 1.138964 0.437375 -0.182951 -0.124329 0.360786 4C 1dz2 -0.000376 -0.005759 0.002115 -0.009565 0.004234 0.006107 4C 1dxz 0.012871 -0.004373 0.016889 0.003838 -0.000770 -0.005162 4C 1dyz 0.004251 -0.004601 0.008079 -0.004958 0.004801 0.003111 4C 1dx2y2 -0.000499 0.008129 -0.011291 0.000530 0.001168 -0.008511 4C 1dxy 0.006105 0.000960 0.007254 0.008643 -0.001260 -0.005178 4C 2dz2 0.040264 -0.052999 0.003369 -0.041684 -0.064434 -0.040129 4C 2dxz 0.017896 -0.035030 0.071946 0.059920 -0.065133 -0.089976 4C 2dyz -0.000509 -0.076331 0.002895 0.094381 -0.064618 -0.020492 4C 2dx2y2 -0.026008 0.116533 0.028662 -0.001564 0.093245 0.039023 4C 2dxy 0.056602 0.001538 -0.005496 -0.038870 0.024775 -0.116408 4C 1f0 0.000447 0.000538 -0.000944 -0.001538 -0.001114 -0.001507 4C 1f+1 -0.003646 -0.005803 0.000202 0.002151 -0.004609 0.004737 4C 1f-1 -0.005199 0.004297 -0.001282 -0.001602 0.003768 0.008382 4C 1f+2 0.000938 0.003471 0.001031 0.002376 0.001633 0.000799 4C 1f-2 0.002408 0.002684 -0.000469 -0.002660 0.001243 -0.002125 4C 1f+3 -0.000363 -0.001528 -0.002014 -0.002479 0.000987 0.002324 4C 1f-3 -0.003342 -0.005154 -0.000275 -0.000147 -0.004556 0.003831 5C 1s -0.012996 -0.009160 0.004537 -0.005580 0.004311 0.000664 5C 2s -0.027334 -0.018918 0.009562 -0.011702 0.009481 0.001452 5C 3s -0.018510 -0.003219 -0.025688 0.009557 0.014829 -0.011077 5C 4s 0.639856 0.318792 -0.016755 0.198129 -0.308106 0.025437 5C 5s 0.009702 -0.156638 -0.304224 0.570839 3.273813 -0.154092 5C 1pz 0.101220 0.053652 -0.046087 0.002511 0.029173 0.060789 5C 1px -0.053155 -0.036873 -0.030827 0.041091 0.052118 -0.107396 5C 1py -0.121789 -0.145576 0.100720 -0.071748 -0.070254 -0.061652 5C 2pz 0.170679 -0.108201 0.041845 -0.007986 0.019603 -0.018335 5C 2px -0.148443 -0.047588 -0.131055 0.091453 0.080238 0.021550 5C 2py -0.186239 -0.113291 0.009645 -0.083508 -0.047345 -0.045330 5C 3pz -0.488582 0.165086 -0.367349 0.468250 -0.670910 0.187042 5C 3px 0.633522 -0.168488 -0.360815 -0.464215 -0.430742 0.949770 5C 3py 0.515612 0.868439 0.440221 -0.357345 1.105221 -0.349454 5C 1dz2 -0.002601 -0.001731 -0.003426 0.000583 0.000516 -0.004103 5C 1dxz 0.011221 0.010644 -0.009802 0.004160 0.003356 0.008405 5C 1dyz -0.002582 0.001646 0.003956 -0.002426 -0.004782 0.005746 5C 1dx2y2 -0.001165 -0.003130 0.013352 -0.009736 -0.008211 -0.000142 5C 1dxy -0.011067 -0.008422 0.006940 -0.008437 -0.002497 -0.016774 5C 2dz2 0.048484 -0.017182 -0.025610 -0.004836 0.005412 -0.120752 5C 2dxz -0.031088 0.086424 -0.023216 0.024747 -0.011282 0.050761 5C 2dyz -0.022798 -0.007881 -0.041274 0.010307 0.008058 0.061752 5C 2dx2y2 -0.032254 -0.097316 -0.031166 0.029156 0.023220 0.057480 5C 2dxy -0.064942 -0.119381 0.076454 0.094781 0.006538 -0.056003 5C 1f0 0.000229 0.007009 -0.004133 -0.003746 -0.000200 0.001934 5C 1f+1 -0.001281 0.001158 0.001827 0.000498 -0.000791 -0.002172 5C 1f-1 -0.001262 0.004257 -0.000483 0.001355 -0.000601 0.003093 5C 1f+2 0.001682 0.001064 0.002693 -0.000464 -0.001031 -0.000402 5C 1f-2 0.005842 -0.002390 0.005497 -0.002652 -0.000828 -0.004946 5C 1f+3 0.001070 -0.001328 -0.001374 -0.000689 0.000377 -0.006609 5C 1f-3 0.002840 -0.001710 0.003983 0.000202 -0.001349 0.001305 6C 1s 0.012409 -0.008910 -0.005139 0.005334 0.004484 -0.000637 6C 2s 0.026120 -0.018381 -0.010845 0.011171 0.009821 -0.001399 6C 3s 0.013345 -0.004152 0.025197 -0.012119 0.016116 0.012253 6C 4s -0.571636 0.314350 0.044332 -0.169395 -0.325264 -0.035472 6C 5s 0.007548 -0.186904 0.148935 -0.811272 3.222122 0.167523 6C 1pz 0.117453 -0.053118 -0.045682 0.005710 -0.031299 0.059461 6C 1px -0.052853 0.040630 -0.027720 0.046326 -0.048388 -0.106042 6C 1py -0.125456 0.143685 0.100330 -0.077374 0.068187 -0.061466 6C 2pz 0.189307 0.107252 0.043009 -0.005408 -0.016918 -0.018402 6C 2px -0.134258 0.054563 -0.123082 0.098284 -0.080976 0.017705 6C 2py -0.148557 0.112495 0.012471 -0.083353 0.040136 -0.049178 6C 3pz -0.588097 -0.162465 -0.398093 0.410352 0.681782 0.198985 6C 3px 0.613407 0.155165 -0.360723 -0.502034 0.355930 0.932927 6C 3py 0.420995 -0.860781 0.460311 -0.285569 -1.098840 -0.348176 6C 1dz2 0.002343 -0.001952 0.003356 -0.000688 0.000625 0.004034 6C 1dxz -0.012197 0.010626 0.009907 -0.004443 0.003642 -0.008133 6C 1dyz 0.002342 0.001879 -0.003711 0.002822 -0.004670 -0.005691 6C 1dx2y2 0.001558 -0.002672 -0.013027 0.010547 -0.007927 0.000172 6C 1dxy 0.011805 -0.008575 -0.006951 0.008543 -0.002277 0.016666 6C 2dz2 -0.052011 -0.017748 0.025876 0.004187 0.006675 0.121557 6C 2dxz 0.011142 0.085297 0.024589 -0.025749 -0.012616 -0.048791 6C 2dyz 0.026500 -0.008883 0.040885 -0.010643 0.011309 -0.060185 6C 2dx2y2 0.035888 -0.096728 0.027600 -0.029318 0.024500 -0.055504 6C 2dxy 0.076748 -0.118246 -0.077553 -0.094791 -0.006129 0.053541 6C 1f0 0.001314 -0.006955 -0.004210 -0.003690 -0.000335 0.001832 6C 1f+1 -0.000963 -0.001197 0.001730 0.000548 0.000984 -0.002120 6C 1f-1 -0.001583 -0.004257 -0.000576 0.001251 0.000655 0.003081 6C 1f+2 0.002199 -0.001150 0.002661 -0.000535 0.001250 -0.000394 6C 1f-2 0.004493 0.002247 0.005423 -0.002843 0.001012 -0.004681 6C 1f+3 0.001141 0.001359 -0.001364 -0.000609 -0.000503 -0.006630 6C 1f-3 0.002021 0.001587 0.003975 -0.000050 0.001574 0.001396 7C 1s 0.006286 -0.001895 0.010275 -0.007259 0.005398 -0.001554 7C 2s 0.012722 -0.004413 0.021766 -0.015286 0.011616 -0.003054 7C 3s 0.032450 -0.019207 -0.002303 0.012316 -0.006094 -0.034092 7C 4s -0.418934 0.277702 -0.398259 0.268053 -0.129779 0.191953 7C 5s 0.218457 -2.053972 0.164129 -0.734760 2.255403 -0.738334 7C 1pz 0.111226 0.101538 0.149605 0.013722 0.014017 -0.039239 7C 1px -0.027082 0.007846 -0.086769 -0.091018 -0.046981 0.060241 7C 1py 0.033382 0.114994 0.078946 -0.028572 0.003632 0.017262 7C 2pz 0.090998 -0.090226 0.145017 0.009298 -0.050708 -0.036255 7C 2px 0.072167 -0.053401 -0.105816 -0.134194 -0.106750 -0.056082 7C 2py 0.045421 0.131100 0.045909 -0.032101 -0.056391 0.000734 7C 3pz -0.250871 -0.969466 0.054194 -0.680711 0.163683 0.809615 7C 3px -0.061424 0.371197 0.811122 0.432176 0.043335 -0.109165 7C 3py 0.009645 -1.133479 0.401211 -0.193150 0.135595 0.362797 7C 1dz2 0.000368 -0.005863 -0.002448 0.009221 0.005007 -0.005916 7C 1dxz -0.013556 -0.003651 -0.017218 -0.004178 -0.001931 0.005058 7C 1dyz -0.004775 -0.004323 -0.008522 0.004385 0.004908 -0.003088 7C 1dx2y2 0.001070 0.007886 0.011636 -0.000438 0.001450 0.008500 7C 1dxy -0.006160 0.001385 -0.007256 -0.008658 -0.002459 0.005047 7C 2dz2 -0.038941 -0.051909 -0.001785 0.048600 -0.059825 0.041700 7C 2dxz -0.013631 -0.032314 -0.071503 -0.055307 -0.073389 0.086781 7C 2dyz -0.004526 -0.073874 -0.001293 -0.089891 -0.071616 0.020085 7C 2dx2y2 0.035400 0.116670 -0.027990 -0.005177 0.090404 -0.039741 7C 2dxy -0.054592 0.002834 0.002574 0.034883 0.027237 0.115779 7C 1f0 0.000312 -0.000419 -0.000937 -0.001687 0.000950 -0.001581 7C 1f+1 -0.003361 0.005963 0.000265 0.001752 0.004730 0.004796 7C 1f-1 -0.005385 -0.004079 -0.001287 -0.001459 -0.003989 0.008319 7C 1f+2 0.000537 -0.003562 0.000878 0.002499 -0.001343 0.000715 7C 1f-2 0.001677 -0.002654 -0.000372 -0.002529 -0.001433 -0.001928 7C 1f+3 0.000075 0.001574 -0.001959 -0.002414 -0.001331 0.002226 7C 1f-3 -0.002941 0.005335 -0.000309 -0.000691 0.004365 0.003706 8C 1s 0.017017 -0.007331 -0.016781 0.020824 -0.035808 0.003575 8C 2s 0.035943 -0.016614 -0.035195 0.042476 -0.073268 0.008192 8C 3s 0.014545 0.048824 -0.036440 0.085145 -0.130658 -0.011608 8C 4s -0.806766 -0.000369 0.928759 -1.434205 2.336775 -0.085029 8C 5s 2.711140 -0.790365 -1.754476 3.934046 -8.830355 -0.716749 8C 1pz 0.023608 -0.035638 -0.008975 0.024591 -0.018996 0.086282 8C 1px -0.045142 0.004378 -0.022741 0.035363 -0.001868 -0.032531 8C 1py -0.075698 0.060425 0.055884 -0.011686 0.027388 -0.008536 8C 2pz 0.027978 -0.000234 0.028202 0.075850 -0.001220 0.347593 8C 2px -0.348471 0.156066 -0.034279 0.141510 0.033787 -0.217156 8C 2py -0.135337 0.022612 0.114085 0.005029 -0.020869 0.001570 8C 3pz -0.091124 0.613785 -0.123147 -0.088831 0.287623 -0.508963 8C 3px 0.302306 -0.205808 0.109551 0.222055 0.300464 0.472019 8C 3py 0.284313 -0.210185 0.088859 -0.051784 -0.540592 -0.197956 8C 1dz2 -0.001466 0.003056 -0.000120 0.001025 -0.000651 -0.002198 8C 1dxz 0.006344 -0.003069 -0.001567 -0.002196 -0.000089 0.002009 8C 1dyz 0.000224 0.000065 0.000103 0.001304 -0.000571 0.006493 8C 1dx2y2 0.002207 -0.000292 -0.001235 0.000027 0.000976 -0.001525 8C 1dxy -0.002061 0.003438 -0.000849 -0.001342 -0.000790 -0.005898 8C 2dz2 -0.009537 0.042602 0.009672 -0.024319 -0.000160 -0.025687 8C 2dxz -0.000872 -0.007744 0.006010 0.033665 -0.006827 0.013021 8C 2dyz -0.053972 0.037428 0.044857 -0.004929 0.051844 -0.022825 8C 2dx2y2 -0.021382 0.058647 0.043527 0.011369 0.046266 0.020196 8C 2dxy -0.067848 0.083067 0.006854 -0.028920 0.010037 -0.024706 8C 1f0 0.005816 -0.005815 -0.005878 0.003248 -0.006388 -0.002922 8C 1f+1 -0.003298 0.001601 -0.001415 0.004258 -0.002410 -0.006381 8C 1f-1 0.000950 0.001119 -0.003487 0.006135 -0.009718 0.003509 8C 1f+2 -0.009597 -0.001068 0.007427 -0.014084 0.022281 -0.002478 8C 1f-2 -0.000748 -0.004264 0.006665 -0.010270 0.016058 0.003927 8C 1f+3 0.000776 0.002172 -0.001683 -0.001736 -0.002546 -0.001860 8C 1f-3 0.006294 -0.003908 -0.003735 -0.002598 -0.004159 0.004168 9C 1s 0.005414 0.022777 0.019779 -0.007216 -0.026328 0.015307 9C 2s 0.012257 0.048303 0.042048 -0.014359 -0.052850 0.030789 9C 3s -0.031946 0.004214 0.022905 -0.051478 -0.146667 0.095327 9C 4s -0.062456 -0.968209 -0.987198 0.631620 2.046470 -1.226267 9C 5s 0.413346 4.700336 2.149761 -0.987928 -6.534132 2.631290 9C 1pz 0.047276 0.058487 0.080008 0.045223 0.024186 -0.001774 9C 1px -0.027782 0.038333 -0.046537 -0.029628 0.004345 0.039872 9C 1py 0.055805 0.049962 0.026717 -0.054507 -0.013571 -0.049161 9C 2pz 0.047479 -0.065844 0.189855 0.183406 0.054855 0.056588 9C 2px -0.175500 0.082623 -0.313667 -0.199514 -0.017460 0.206556 9C 2py 0.111209 0.015226 -0.025972 -0.261553 -0.096481 -0.149530 9C 3pz -0.244459 -0.811970 -0.022942 -0.604769 -0.070712 0.264947 9C 3px 0.561388 -0.487088 0.481599 0.047090 0.151332 -0.345059 9C 3py -0.172880 -0.281419 0.008568 0.008968 0.126904 0.405987 9C 1dz2 0.000042 0.000336 -0.000645 -0.003402 -0.000472 -0.001298 9C 1dxz 0.005227 -0.000901 0.005083 0.001923 0.000522 -0.006689 9C 1dyz 0.001094 0.002828 -0.001773 -0.000671 0.001813 -0.001091 9C 1dx2y2 0.000796 -0.000613 -0.002138 -0.005317 -0.001020 -0.000794 9C 1dxy 0.001215 -0.000777 0.003534 0.006295 0.003251 -0.000387 9C 2dz2 0.004873 0.038148 0.023475 0.004785 -0.003900 -0.009179 9C 2dxz 0.045022 0.018221 0.030583 0.024258 0.031287 0.001234 9C 2dyz 0.047013 0.111620 0.072273 0.018571 0.011680 -0.011523 9C 2dx2y2 -0.008544 -0.058298 0.015746 0.028853 0.006670 0.014524 9C 2dxy 0.053641 0.023614 0.027292 -0.009941 0.011972 -0.017012 9C 1f0 0.001868 0.004302 -0.000583 -0.010102 -0.007574 0.003255 9C 1f+1 -0.004172 -0.002855 -0.003067 -0.000934 -0.002280 0.004318 9C 1f-1 -0.002085 -0.003706 0.003540 -0.000003 -0.009185 0.005173 9C 1f+2 0.002703 -0.004861 -0.002134 0.007093 0.015591 -0.013938 9C 1f-2 -0.002163 0.005717 0.007136 -0.007721 -0.017763 0.008068 9C 1f+3 -0.001109 -0.007301 -0.009837 0.000646 0.011387 -0.010746 9C 1f-3 -0.002571 -0.002301 -0.007383 -0.001027 0.003174 0.002595 10H 1s 0.018582 0.019474 0.028084 0.026955 -0.013315 -0.028958 10H 2s 0.150829 0.202733 0.318175 0.394624 -0.146105 -0.379652 10H 3s -0.505208 -0.933853 -0.332996 -1.252855 1.698267 1.580838 10H 1pz -0.002299 0.006360 0.005961 0.020468 -0.015163 -0.012909 10H 1px -0.006173 -0.016670 -0.009843 -0.023978 0.020397 0.024835 10H 1py 0.000561 -0.002785 -0.002138 -0.001957 -0.002354 -0.009472 11H 1s -0.017275 0.002568 -0.015138 0.013867 -0.018827 0.019671 11H 2s -0.158864 0.110400 -0.212351 0.226351 -0.253488 0.191334 11H 3s 0.504114 -0.570123 0.989947 -0.873312 1.618545 0.247283 11H 1pz 0.000782 0.014870 -0.006419 0.014948 -0.019356 -0.007245 11H 1px -0.002115 0.008122 -0.015141 0.007080 -0.020768 -0.002672 11H 1py 0.011549 -0.004526 0.008096 -0.014359 0.013490 -0.005192 12H 1s 0.003275 0.010159 -0.025665 -0.040677 -0.001869 -0.014511 12H 2s 0.057979 0.007679 -0.382076 -0.456098 -0.060360 -0.203063 12H 3s 0.222801 -0.701292 1.083542 0.177994 1.332329 0.839157 12H 1pz 0.000942 -0.009044 0.006813 0.010180 0.001002 0.004913 12H 1px 0.000395 0.002041 -0.014650 -0.006715 -0.012509 -0.005594 12H 1py 0.002839 0.002126 -0.022641 -0.009632 -0.019796 -0.020134 13H 1s 0.022029 0.016919 0.006701 -0.007851 -0.015754 0.037948 13H 2s 0.283103 0.138752 0.091434 -0.213484 -0.166982 0.438855 13H 3s -0.039271 -0.508770 -0.762271 0.956186 1.952347 -1.200051 13H 1pz 0.001616 -0.000759 0.009285 -0.013983 -0.018642 0.016180 13H 1px -0.008173 -0.006970 -0.007498 0.016337 0.020945 -0.015298 13H 1py -0.006455 -0.001265 -0.001922 0.015199 0.010324 -0.001723 14H 1s -0.036836 -0.013258 0.011778 0.006261 -0.013138 -0.004870 14H 2s -0.489053 -0.216950 0.199527 0.119231 -0.188092 -0.069906 14H 3s 1.355873 0.372796 -0.737995 0.822908 1.781632 0.281036 14H 1pz -0.012868 -0.008739 0.009730 -0.002934 -0.014013 0.002951 14H 1px -0.030299 -0.010643 0.017350 -0.002851 -0.028633 -0.005737 14H 1py -0.007938 -0.003093 0.003063 -0.001729 -0.003976 0.002669 15H 1s -0.000076 -0.006671 -0.003170 -0.011130 -0.018909 -0.035501 15H 2s -0.029281 0.025128 -0.006600 -0.127624 -0.225907 -0.424806 15H 3s 0.736238 0.292457 -0.482655 0.951185 1.839171 0.790848 15H 1pz 0.005916 0.004867 -0.006047 0.013252 0.021601 0.018781 15H 1px -0.008102 0.002907 0.004369 0.002492 -0.007426 -0.001540 15H 1py 0.006872 -0.010401 -0.006754 0.013364 0.023665 0.009303 16H 1s 0.023924 0.052257 -0.008734 -0.032986 0.012222 -0.008082 16H 2s 0.241577 0.702909 -0.082091 -0.398820 0.132360 -0.132248 16H 3s -0.245375 -0.550730 0.036258 0.209656 -0.124131 0.271834 16H 1pz 0.015183 0.039803 -0.002006 -0.018334 0.009876 -0.010200 16H 1px -0.002933 -0.011839 -0.000924 0.004581 -0.000921 0.009542 16H 1py -0.000076 0.010632 -0.001583 -0.008926 -0.000613 0.002110 17H 1s -0.020433 -0.028343 -0.000161 -0.017172 -0.020557 0.007027 17H 2s -0.361459 -0.341173 -0.048211 -0.166545 -0.305767 0.222183 17H 3s 0.307488 0.359915 0.093090 0.027850 0.287845 -0.141847 17H 1pz 0.015462 0.015244 -0.001205 -0.000528 0.010137 -0.008869 17H 1px 0.023651 0.018369 0.006570 0.000861 0.017964 -0.018947 17H 1py -0.009821 -0.002483 0.000327 -0.005538 -0.005957 0.006219 18H 1s 0.028727 -0.028079 0.001404 0.020735 -0.019576 -0.006948 18H 2s 0.480098 -0.342678 0.061949 0.213756 -0.293161 -0.223431 18H 3s -0.363467 0.364172 -0.098550 -0.065241 0.282229 0.145971 18H 1pz 0.018771 -0.015558 -0.000916 0.001057 -0.010445 -0.009396 18H 1px 0.028810 -0.018756 0.006798 0.003084 -0.017498 -0.019415 18H 1py -0.013192 0.001930 -0.000126 -0.006486 0.005321 0.005778 19H 1s -0.019639 0.052711 0.010240 0.031472 0.014865 0.008489 19H 2s -0.191694 0.705820 0.106562 0.384657 0.161376 0.143329 19H 3s 0.244510 -0.555567 -0.051871 -0.190559 -0.134719 -0.279909 19H 1pz 0.014274 -0.039511 -0.003268 -0.017149 -0.011035 -0.011047 19H 1px -0.002963 0.012193 -0.000246 0.004675 0.000994 0.010053 19H 1py -0.001873 -0.011420 -0.002246 -0.009598 -0.000335 0.001575 20H 1s -0.000951 -0.007102 0.003957 0.012835 -0.017536 0.035964 20H 2s 0.040022 0.020264 0.018774 0.151509 -0.211375 0.428772 20H 3s -0.669352 0.281437 0.415503 -1.102634 1.780630 -0.786639 20H 1pz 0.005209 -0.004772 -0.005164 0.015183 -0.020713 0.018898 20H 1px -0.008620 -0.002954 0.004043 0.001632 0.008155 -0.001553 20H 1py 0.008286 0.010506 -0.005487 0.015573 -0.022715 0.009048 21H 1s 0.038459 -0.013420 -0.011625 -0.005463 -0.014695 0.004015 21H 2s 0.486932 -0.217588 -0.197510 -0.106825 -0.213694 0.060065 21H 3s -1.336350 0.358635 0.680008 -0.956081 1.760757 -0.245893 21H 1pz -0.011433 0.008526 0.009518 -0.003938 0.014574 0.003154 21H 1px -0.028852 0.010322 0.016407 -0.005031 0.029433 -0.005197 21H 1py -0.009574 0.003081 0.003053 -0.002015 0.004137 0.002943 22H 1s -0.022310 0.017962 -0.005518 0.009347 -0.014946 -0.037735 22H 2s -0.291002 0.151358 -0.080809 0.228438 -0.148217 -0.436472 22H 3s 0.119784 -0.562732 0.672191 -1.116251 1.900869 1.209531 22H 1pz 0.003079 0.000132 0.008565 -0.015236 0.017757 0.016222 22H 1px -0.008562 0.007666 -0.006472 0.018109 -0.019737 -0.015418 22H 1py -0.007043 0.001538 -0.001557 0.016124 -0.009176 -0.001817 23H 1s -0.001235 0.008843 0.025857 0.041305 0.002222 0.015114 23H 2s -0.050318 -0.008314 0.382764 0.463901 -0.010825 0.209119 23H 3s -0.254497 -0.658893 -1.173444 -0.303479 1.275446 -0.852562 23H 1pz 0.002455 0.008712 0.007283 0.010671 -0.000082 0.005136 23H 1px 0.000231 -0.001454 -0.014901 -0.007463 0.011190 -0.005175 23H 1py 0.003862 -0.001415 -0.023830 -0.011271 0.018393 -0.020448 24H 1s 0.016031 0.001959 0.016536 -0.012175 -0.018820 -0.020274 24H 2s 0.168404 0.103310 0.231816 -0.201239 -0.258024 -0.201239 24H 3s -0.468522 -0.541733 -1.103180 0.726987 1.632013 -0.234434 24H 1pz -0.000848 -0.014718 -0.007781 0.013052 0.020166 -0.006906 24H 1px -0.003035 -0.007875 -0.016691 0.005502 0.020967 -0.002160 24H 1py 0.010941 0.004133 0.008833 -0.013071 -0.013836 -0.005470 25H 1s -0.020730 0.020487 -0.027273 -0.026705 -0.017374 0.028955 25H 2s -0.177272 0.215523 -0.308592 -0.390156 -0.198619 0.382343 25H 3s 0.584629 -0.956923 0.234299 1.147393 1.836450 -1.572473 25H 1pz -0.001311 -0.006820 0.005121 0.019441 0.017283 -0.013118 25H 1px -0.007658 0.017106 -0.008419 -0.022485 -0.023006 0.025026 25H 1py 0.001275 0.003008 -0.002177 -0.002315 0.001898 -0.009418 26O 1s 0.002775 -0.001870 0.002523 -0.002605 0.000893 0.000287 26O 2s 0.005526 -0.004208 0.006074 -0.005756 0.001453 0.000909 26O 3s 0.012486 0.002357 -0.006885 -0.002167 0.012144 -0.006594 26O 4s -0.119343 0.066583 -0.043341 0.087339 -0.090237 0.006394 26O 5s 0.025527 -0.448163 -0.294411 -0.246566 -0.228316 0.174391 26O 1pz -0.072793 0.032943 -0.057944 0.030806 -0.016221 0.013193 26O 1px 0.003605 -0.037360 0.032704 -0.060839 -0.004758 0.062281 26O 1py 0.007511 -0.023040 -0.045992 -0.071348 -0.012587 -0.018086 26O 2pz -0.111355 0.048564 -0.061547 0.048891 -0.015902 0.018341 26O 2px 0.005997 -0.010800 0.051105 -0.067512 0.022213 0.051170 26O 2py 0.037034 0.004344 -0.052303 -0.102207 0.002007 -0.062783 26O 3pz 0.219196 -0.139044 0.007113 -0.035312 0.095092 -0.052010 26O 3px 0.258042 0.074108 0.029607 -0.060711 0.103940 -0.127994 26O 3py -0.072590 -0.132513 0.105047 0.189661 0.071030 0.171436 26O 1dz2 -0.002514 0.000268 -0.001627 0.001106 -0.001373 0.001103 26O 1dxz -0.000571 0.000977 -0.003257 -0.002194 0.001128 0.000600 26O 1dyz -0.000537 0.002097 -0.002935 -0.001134 -0.000580 -0.000181 26O 1dx2y2 0.002843 -0.002711 0.000390 -0.001399 -0.000232 -0.002318 26O 1dxy 0.000273 0.002449 -0.000137 -0.000516 0.000887 0.000159 26O 2dz2 0.008509 0.013718 0.002470 0.002867 0.002834 -0.014204 26O 2dxz -0.009292 0.008769 -0.017071 0.005493 -0.007119 0.003536 26O 2dyz -0.011999 -0.005899 -0.011444 0.001136 -0.001016 0.001085 26O 2dx2y2 -0.004584 -0.017975 0.010803 -0.006279 -0.006235 0.016567 26O 2dxy -0.007822 -0.009551 -0.010103 -0.012238 -0.005058 0.009732 26O 1f0 -0.000878 0.000755 -0.000589 0.000560 -0.000421 0.000289 26O 1f+1 -0.000331 -0.001006 0.000363 0.000083 0.000034 0.001002 26O 1f-1 -0.000407 -0.000231 -0.000493 0.000797 -0.000670 -0.000269 26O 1f+2 0.000702 -0.000457 0.000291 -0.000772 0.000497 -0.000057 26O 1f-2 0.000785 -0.000507 0.001100 0.000363 0.000170 0.000080 26O 1f+3 -0.000345 -0.000563 0.001823 -0.000061 -0.000157 0.000968 26O 1f-3 -0.001039 -0.000708 -0.000285 -0.000112 0.000098 0.001167 27O 1s 0.004203 0.003621 -0.002009 0.001357 0.004612 -0.002737 27O 2s 0.010230 0.008872 -0.005005 0.002448 0.010327 -0.006967 27O 3s -0.015847 -0.014625 0.007494 0.010917 -0.000398 0.018570 27O 4s -0.034313 -0.024814 0.023141 -0.093886 -0.148736 -0.006155 27O 5s -0.237574 0.024259 0.284013 0.240545 0.121939 -0.531872 27O 1pz -0.074194 -0.023148 0.031457 -0.004391 -0.024448 0.027387 27O 1px 0.006400 0.023653 -0.058147 0.059270 0.022346 -0.042578 27O 1py 0.029190 0.056746 -0.008074 0.061880 0.043007 0.064802 27O 2pz -0.108039 -0.018495 0.032561 0.019575 -0.033970 0.065016 27O 2px 0.001053 0.040473 -0.085625 0.072937 0.035492 0.000906 27O 2py 0.025113 0.068085 0.005698 0.090567 0.050237 0.079332 27O 3pz 0.187413 -0.107644 0.061670 -0.186292 0.068194 -0.189911 27O 3px 0.050434 -0.143895 -0.090706 0.062325 -0.081622 0.202556 27O 3py 0.066829 0.144659 -0.123276 -0.150215 -0.054495 -0.205688 27O 1dz2 -0.000384 -0.000837 -0.000002 -0.000019 0.000316 0.001131 27O 1dxz -0.000376 -0.001859 0.001042 -0.002236 0.000001 -0.002034 27O 1dyz 0.000956 0.000105 -0.000884 0.001001 0.001439 0.001344 27O 1dx2y2 0.001947 0.000632 -0.001794 0.001286 0.000837 0.001258 27O 1dxy 0.003656 0.002680 -0.002135 -0.001032 0.000169 0.001885 27O 2dz2 0.005433 -0.004688 0.001781 -0.001982 -0.002009 0.006266 27O 2dxz -0.015222 -0.012811 0.014166 -0.002102 -0.007264 -0.003745 27O 2dyz 0.004343 0.011829 0.001927 0.000636 0.001779 0.003167 27O 2dx2y2 0.005346 0.004617 -0.008703 0.013131 0.010174 -0.021933 27O 2dxy 0.011963 0.009697 -0.013037 0.008087 0.005610 0.023772 27O 1f0 -0.000538 -0.000328 0.000341 0.000678 0.000243 -0.000727 27O 1f+1 0.000001 -0.000139 -0.000066 -0.000007 0.000475 -0.000887 27O 1f-1 0.000390 0.000220 -0.000640 0.000270 0.000348 0.000320 27O 1f+2 0.001042 0.001004 -0.001341 0.000388 0.001100 0.000314 27O 1f-2 -0.000289 -0.000020 -0.000349 0.000258 0.000212 -0.000685 27O 1f+3 0.000017 -0.000369 -0.000543 0.001059 0.000491 -0.000254 27O 1f-3 0.000561 0.000342 -0.001366 0.001199 0.000389 0.001261 28O 1s 0.003550 -0.008059 0.005101 -0.000014 -0.004090 -0.004764 28O 2s 0.009245 -0.018991 0.011768 -0.000239 -0.010872 -0.011236 28O 3s -0.021869 0.021314 -0.005019 0.003771 0.033507 0.013234 28O 4s -0.001612 0.139306 -0.130015 -0.016658 -0.054856 0.069350 28O 5s -0.003598 -0.366094 0.389519 0.315637 -0.026236 -0.477284 28O 1pz 0.056545 0.022676 0.058082 0.034729 -0.045979 -0.054542 28O 1px -0.049104 0.050146 -0.125759 -0.003299 0.004122 -0.001835 28O 1py -0.019199 0.047308 0.015872 0.066332 -0.016595 0.026575 28O 2pz 0.084979 0.032744 0.072517 0.027665 -0.038981 -0.058119 28O 2px -0.053097 0.044250 -0.144785 -0.004723 -0.015495 -0.030424 28O 2py -0.017956 0.061948 0.039924 0.097749 -0.024952 0.056697 28O 3pz -0.254473 0.285705 -0.129483 0.038023 0.079419 0.222656 28O 3px 0.011040 -0.176287 -0.044822 0.092566 0.011646 -0.062774 28O 3py -0.072956 0.059333 -0.231414 -0.214303 0.109263 -0.136414 28O 1dz2 -0.002032 0.001533 -0.000413 0.002773 -0.000029 0.000457 28O 1dxz -0.000045 0.000209 -0.002250 -0.001313 0.000254 -0.000198 28O 1dyz 0.001125 0.000539 -0.000713 -0.000250 -0.001171 -0.003242 28O 1dx2y2 0.000959 0.000061 0.001528 -0.000789 -0.000458 -0.000577 28O 1dxy -0.001040 -0.000690 0.000710 0.002280 -0.001033 0.002026 28O 2dz2 0.001082 0.010237 -0.002719 0.004546 -0.005911 -0.011918 28O 2dxz -0.011681 0.021442 -0.021041 -0.009351 0.006281 0.016118 28O 2dyz -0.001004 0.006919 -0.000103 0.009442 -0.010419 -0.003677 28O 2dx2y2 0.016486 -0.011151 0.024129 -0.005231 -0.000005 -0.004058 28O 2dxy 0.001687 0.001982 -0.000001 -0.008077 0.001898 0.008491 28O 1f0 -0.000122 -0.001058 0.000469 0.000484 0.000012 0.000777 28O 1f+1 -0.000008 0.000141 -0.000646 -0.000207 -0.000258 -0.000918 28O 1f-1 -0.000658 0.000692 -0.000966 -0.000443 -0.000426 0.000314 28O 1f+2 0.000003 0.000673 -0.000215 0.000260 0.000123 -0.000021 28O 1f-2 -0.000253 0.000359 -0.001125 0.001205 -0.000633 -0.000167 28O 1f+3 -0.000913 0.001020 -0.001122 0.000730 -0.000350 0.000091 28O 1f-3 -0.000631 -0.000169 -0.001015 0.000463 0.000022 -0.000016 29O 1s 0.002184 0.002125 0.002675 -0.006133 0.000089 0.000287 29O 2s 0.004956 0.004320 0.006556 -0.013807 0.000586 0.000840 29O 3s -0.003046 0.009091 -0.013038 0.000535 -0.008027 -0.002572 29O 4s -0.068787 -0.076178 -0.019490 0.134275 0.021500 0.015043 29O 5s 0.190612 -0.041980 0.019958 0.128772 0.023250 -0.102454 29O 1pz 0.028260 0.067101 -0.001064 -0.020307 0.017108 -0.017814 29O 1px 0.011984 0.018283 -0.013407 0.012942 0.013577 -0.000168 29O 1py 0.020231 0.009814 -0.051790 -0.015329 -0.000264 -0.018936 29O 2pz 0.088786 0.159451 0.009270 -0.049489 0.055061 -0.049779 29O 2px 0.030797 0.055444 -0.048865 0.017382 0.027501 -0.010693 29O 2py 0.026666 0.026291 -0.103358 -0.049344 -0.007547 -0.031075 29O 3pz 0.134017 0.350465 -0.077439 -0.102322 0.095235 -0.091356 29O 3px 0.098205 -0.002952 0.172389 0.043781 0.106350 -0.089855 29O 3py -0.129071 0.029057 0.130905 -0.081653 -0.068351 0.116864 29O 1dz2 0.001847 0.005718 -0.001798 -0.003758 0.000743 -0.001084 29O 1dxz -0.002865 -0.001888 -0.000709 -0.001169 -0.002575 0.000957 29O 1dyz 0.004091 0.007944 -0.000295 -0.001904 0.003147 -0.002323 29O 1dx2y2 0.000450 -0.001194 0.000347 0.000605 0.000401 -0.000179 29O 1dxy 0.002778 0.002072 0.000485 0.001471 0.002204 -0.001854 29O 2dz2 -0.010654 -0.020975 -0.000020 0.006990 -0.007378 0.011436 29O 2dxz 0.012502 0.023790 0.000233 -0.006671 0.008832 -0.015719 29O 2dyz -0.010185 -0.022220 0.002067 0.005235 -0.006480 0.006287 29O 2dx2y2 0.004753 0.005360 0.006372 0.000618 0.006581 -0.000860 29O 2dxy -0.011389 -0.003976 -0.006870 0.000240 -0.009204 0.006103 29O 1f0 0.000088 0.002122 -0.000127 -0.001484 0.000049 0.000073 29O 1f+1 0.001186 0.001269 -0.000005 0.000019 0.000827 -0.001168 29O 1f-1 0.000511 0.002893 -0.000590 -0.001863 0.000101 -0.000563 29O 1f+2 -0.000515 -0.001294 -0.000177 0.000724 -0.000409 0.000439 29O 1f-2 -0.002235 -0.002055 -0.000479 -0.000043 -0.001605 0.001641 29O 1f+3 0.000573 0.000683 0.000359 0.000056 0.000566 -0.000640 29O 1f-3 0.001025 0.000902 0.000164 0.000180 0.000770 -0.000649 30O 1s 0.005981 0.006556 -0.003963 -0.000303 -0.001504 0.002338 30O 2s 0.013707 0.015962 -0.009381 -0.000120 -0.004660 0.005563 30O 3s -0.003544 -0.025034 0.012065 -0.007351 0.024239 -0.005925 30O 4s -0.143187 -0.085239 0.078928 0.038040 -0.102252 -0.061283 30O 5s 0.265438 0.546284 -0.321993 -0.419588 0.360436 0.476124 30O 1pz 0.083119 0.025209 -0.028097 -0.019199 -0.009957 0.019677 30O 1px -0.089033 -0.093315 0.092024 -0.052020 -0.041300 -0.068224 30O 1py -0.024185 -0.055067 -0.029577 -0.030290 0.040406 -0.069732 30O 2pz 0.130675 0.013835 -0.022358 -0.025514 -0.012854 0.001274 30O 2px -0.106543 -0.076376 0.083168 -0.075640 -0.053751 -0.061156 30O 2py -0.047353 -0.030955 -0.070408 -0.054110 0.060135 -0.090964 30O 3pz -0.209394 -0.083310 0.148875 0.119873 -0.001431 -0.005904 30O 3px -0.211471 0.046120 -0.110057 0.008587 0.170732 0.070649 30O 3py 0.095855 -0.079696 0.042477 0.091265 -0.107524 0.259336 30O 1dz2 -0.003053 0.001372 0.000525 0.001806 0.000648 0.002661 30O 1dxz -0.001806 -0.001541 -0.001605 -0.001153 0.000487 -0.000915 30O 1dyz -0.001180 -0.000254 -0.002194 0.001642 0.002286 -0.001050 30O 1dx2y2 0.001984 0.002436 -0.000610 0.001250 0.000892 -0.000290 30O 1dxy 0.004008 0.000160 -0.000177 -0.000788 0.000601 -0.001854 30O 2dz2 -0.000567 -0.008633 0.005490 -0.003950 -0.002002 -0.008586 30O 2dxz -0.006276 -0.021434 0.017941 -0.000028 -0.008183 -0.025595 30O 2dyz -0.006104 -0.019419 0.002742 0.004895 0.003337 -0.014862 30O 2dx2y2 0.010130 0.009960 -0.015896 0.018146 0.014648 0.001459 30O 2dxy 0.003559 0.009610 -0.014340 0.000599 0.005732 0.020836 30O 1f0 0.000129 0.000314 -0.000914 0.000723 0.000741 0.001552 30O 1f+1 -0.000039 -0.000190 -0.000456 -0.000253 0.000223 -0.000785 30O 1f-1 0.000354 -0.000028 -0.000096 -0.000241 0.000017 -0.000701 30O 1f+2 0.000391 -0.000688 0.001138 -0.000678 -0.000426 -0.000240 30O 1f-2 0.000905 -0.000472 0.000569 0.000254 0.000048 -0.000350 30O 1f+3 -0.001748 -0.000323 0.001072 -0.001031 -0.000816 0.000211 30O 1f-3 0.000586 -0.000283 0.001468 -0.000077 -0.000582 -0.000575 31O 1s -0.006646 0.006504 0.004119 0.000446 -0.001337 -0.002263 31O 2s -0.015355 0.015837 0.009799 0.000543 -0.004306 -0.005379 31O 3s 0.007224 -0.024800 -0.013303 0.005486 0.024267 0.005534 31O 4s 0.148472 -0.084890 -0.076401 -0.030513 -0.108260 0.060123 31O 5s -0.334961 0.545777 0.315033 0.382969 0.417561 -0.459602 31O 1pz 0.081331 -0.025471 -0.029516 -0.020713 0.006309 0.020023 31O 1px -0.093599 0.091529 0.092315 -0.055588 0.041910 -0.066727 31O 1py -0.028140 0.057099 -0.025762 -0.027480 -0.043411 -0.069429 31O 2pz 0.121227 -0.014750 -0.024194 -0.028401 0.008841 0.002385 31O 2px -0.105941 0.074575 0.083030 -0.079677 0.051671 -0.060138 31O 2py -0.049395 0.034854 -0.065901 -0.049632 -0.067379 -0.091329 31O 3pz -0.210602 0.082551 0.147569 0.122471 0.022809 0.001231 31O 3px -0.177846 -0.041782 -0.100022 0.023905 -0.178335 0.061348 31O 3py 0.129795 0.073247 0.044784 0.084641 0.115466 0.253420 31O 1dz2 0.002943 0.001361 -0.000532 -0.001889 0.000483 -0.002608 31O 1dxz 0.001585 -0.001572 0.001520 0.001119 0.000694 0.000979 31O 1dyz 0.001047 -0.000325 0.002083 -0.001849 0.002249 0.001045 31O 1dx2y2 -0.002046 0.002379 0.000653 -0.001376 0.000758 0.000236 31O 1dxy -0.003852 0.000152 0.000183 0.000763 0.000669 0.001843 31O 2dz2 0.000547 -0.008400 -0.005504 0.004216 -0.001944 0.008855 31O 2dxz 0.008317 -0.021170 -0.017766 0.000951 -0.009403 0.025109 31O 2dyz 0.009272 -0.019892 -0.003339 -0.004939 0.002508 0.014322 31O 2dx2y2 -0.012265 0.009597 0.015451 -0.019520 0.013967 -0.000999 31O 2dxy -0.006980 0.009441 0.013960 -0.001272 0.006703 -0.020150 31O 1f0 0.000249 -0.000301 -0.000867 0.000784 -0.000742 0.001520 31O 1f+1 0.000001 0.000189 -0.000439 -0.000235 -0.000265 -0.000814 31O 1f-1 0.000385 0.000025 -0.000094 -0.000240 -0.000041 -0.000720 31O 1f+2 0.000259 0.000660 0.001129 -0.000727 0.000425 -0.000225 31O 1f-2 0.000684 0.000475 0.000557 0.000238 0.000025 -0.000303 31O 1f+3 -0.001751 0.000314 0.001053 -0.001088 0.000777 0.000213 31O 1f-3 0.000372 0.000244 0.001422 -0.000142 0.000660 -0.000545 32O 1s -0.001275 0.002350 -0.002476 0.006263 0.000307 -0.000067 32O 2s -0.003024 0.004837 -0.006157 0.014064 0.001045 -0.000333 32O 3s 0.005958 0.008712 0.014042 0.000274 -0.007345 0.002248 32O 4s 0.038986 -0.081135 0.011507 -0.139622 0.014749 -0.018819 32O 5s -0.214154 -0.036143 -0.022561 -0.133664 0.013787 0.099415 32O 1pz 0.030212 -0.067616 -0.001023 -0.015953 -0.018278 -0.017772 32O 1px 0.010849 -0.018113 -0.012976 0.014812 -0.012990 0.000564 32O 1py 0.006917 -0.011377 -0.054440 -0.017165 -0.003159 -0.018230 32O 2pz 0.096055 -0.161007 0.009441 -0.038590 -0.057386 -0.051045 32O 2px 0.026013 -0.054586 -0.048996 0.021379 -0.028195 -0.008794 32O 2py -0.005773 -0.030341 -0.109768 -0.054589 -0.001099 -0.029635 32O 3pz 0.140158 -0.347441 -0.089427 -0.089770 -0.108874 -0.098301 32O 3px 0.180405 0.002698 0.184195 0.062855 -0.094238 -0.095972 32O 3py -0.123100 -0.035611 0.129075 -0.089707 0.065010 0.104847 32O 1dz2 -0.000993 0.005378 0.002011 0.003651 0.000934 0.001031 32O 1dxz 0.003789 -0.002068 0.000851 0.001502 -0.002552 -0.001043 32O 1dyz -0.004571 0.008147 0.000472 0.001613 0.003328 0.002461 32O 1dx2y2 -0.000335 -0.001364 -0.000398 -0.000649 0.000236 0.000082 32O 1dxy -0.003618 0.001981 -0.000587 -0.001784 0.002011 0.001860 32O 2dz2 0.011161 -0.019851 -0.000493 -0.005856 -0.007357 -0.011358 32O 2dxz -0.015215 0.024480 0.000160 0.005529 0.009388 0.016583 32O 2dyz 0.011655 -0.022719 -0.002722 -0.004607 -0.006990 -0.007155 32O 2dx2y2 -0.005636 0.006018 -0.006461 -0.001054 0.006486 0.001397 32O 2dxy 0.013712 -0.003666 0.007169 0.001006 -0.008634 -0.005696 32O 1f0 -0.000239 -0.001984 -0.000194 -0.001399 -0.000140 0.000035 32O 1f+1 0.001563 -0.001299 0.000017 0.000183 -0.000868 -0.001232 32O 1f-1 0.000122 -0.002947 -0.000766 -0.001933 -0.000217 -0.000613 32O 1f+2 -0.000376 0.001366 -0.000087 0.000777 0.000407 0.000476 32O 1f-2 -0.002776 0.002103 -0.000514 -0.000241 0.001573 0.001667 32O 1f+3 0.000680 -0.000614 0.000355 0.000122 -0.000484 -0.000596 32O 1f-3 0.001301 -0.000948 0.000195 0.000264 -0.000761 -0.000687 33O 1s -0.003689 -0.007815 -0.005323 0.000115 -0.004354 0.004544 33O 2s -0.009529 -0.018398 -0.012234 0.000574 -0.011463 0.010691 33O 3s 0.021285 0.020562 0.004559 -0.005963 0.033428 -0.012158 33O 4s 0.009414 0.135860 0.140174 0.025672 -0.046491 -0.068161 33O 5s -0.009068 -0.358552 -0.413135 -0.317840 -0.071532 0.472687 33O 1pz 0.060231 -0.025595 0.056478 0.032331 0.051296 -0.054582 33O 1px -0.053307 -0.046140 -0.128632 -0.005666 -0.010009 -0.002465 33O 1py -0.015615 -0.048212 0.012813 0.065584 0.023492 0.026437 33O 2pz 0.089774 -0.037241 0.070669 0.026278 0.044460 -0.058672 33O 2px -0.056896 -0.039722 -0.147928 -0.008540 0.008565 -0.030523 33O 2py -0.013394 -0.063871 0.035965 0.096685 0.036005 0.056219 33O 3pz -0.243305 -0.275502 -0.138591 0.046226 -0.081424 0.217271 33O 3px -0.008209 0.179406 -0.034874 0.089072 -0.006030 -0.057496 33O 3py -0.061541 -0.050926 -0.227940 -0.203986 -0.138894 -0.138951 33O 1dz2 0.001980 0.001493 0.000472 -0.002783 -0.000271 -0.000541 33O 1dxz 0.000315 0.000133 0.002250 0.001377 0.000470 0.000207 33O 1dyz -0.000810 0.000527 0.000774 0.000389 -0.001161 0.003206 33O 1dx2y2 -0.001167 0.000144 -0.001516 0.000774 -0.000429 0.000616 33O 1dxy 0.000834 -0.000644 -0.000624 -0.002204 -0.001238 -0.002030 33O 2dz2 -0.000744 0.010252 0.003208 -0.004026 -0.006309 0.011726 33O 2dxz 0.012785 0.020702 0.022079 0.009326 0.008073 -0.015612 33O 2dyz -0.000853 0.007077 0.000562 -0.008973 -0.011360 0.003769 33O 2dx2y2 -0.015962 -0.010581 -0.024884 0.004983 -0.000662 0.003812 33O 2dxy -0.002741 0.002085 -0.000021 0.007634 0.002778 -0.008295 33O 1f0 -0.000058 0.001054 0.000516 0.000499 0.000035 0.000790 33O 1f+1 -0.000112 -0.000122 -0.000649 -0.000249 0.000222 -0.000892 33O 1f-1 -0.000607 -0.000653 -0.001010 -0.000470 0.000337 0.000306 33O 1f+2 -0.000047 -0.000679 -0.000262 0.000264 -0.000109 -0.000041 33O 1f-2 -0.000281 -0.000338 -0.001171 0.001139 0.000688 -0.000152 33O 1f+3 -0.000935 -0.000995 -0.001194 0.000687 0.000360 0.000081 33O 1f-3 -0.000652 0.000205 -0.001020 0.000440 -0.000026 -0.000017 34O 1s -0.004346 0.003460 0.001928 -0.001834 0.004549 0.002658 34O 2s -0.010586 0.008459 0.004843 -0.003562 0.010253 0.006771 34O 3s 0.016667 -0.013729 -0.007878 -0.010016 -0.001508 -0.018183 34O 4s 0.035234 -0.024521 -0.018257 0.104989 -0.141324 0.006402 34O 5s 0.232785 0.029064 -0.278061 -0.250091 0.076824 0.525402 34O 1pz -0.072644 0.023205 0.031354 -0.005956 0.025905 0.026700 34O 1px 0.006558 -0.020233 -0.058082 0.062024 -0.019264 -0.042212 34O 1py 0.033009 -0.057226 -0.007888 0.065581 -0.038279 0.064295 34O 2pz -0.108406 0.019189 0.032282 0.017315 0.037207 0.064529 34O 2px 0.001146 -0.035996 -0.085031 0.076731 -0.033179 0.000782 34O 2py 0.026066 -0.069056 0.005732 0.094390 -0.042173 0.079041 34O 3pz 0.189490 0.100841 0.065461 -0.181827 -0.079751 -0.192423 34O 3px 0.029745 0.143540 -0.085675 0.048810 0.076595 0.199065 34O 3py 0.100382 -0.139461 -0.129537 -0.146291 0.037190 -0.204454 34O 1dz2 0.000340 -0.000812 -0.000029 0.000008 0.000324 -0.001128 34O 1dxz 0.000956 -0.001821 -0.001054 0.002286 0.000145 0.001960 34O 1dyz -0.001087 0.000108 0.000815 -0.001127 0.001402 -0.001288 34O 1dx2y2 -0.001773 0.000555 0.001738 -0.001307 0.000828 -0.001255 34O 1dxy -0.003727 0.002683 0.002150 0.001023 0.000373 -0.001866 34O 2dz2 -0.005923 -0.004274 -0.001982 0.002250 -0.001699 -0.006180 34O 2dxz 0.015606 -0.012631 -0.014261 0.002641 -0.007832 0.003415 34O 2dyz -0.004510 0.011946 -0.001561 -0.000710 0.001614 -0.003128 34O 2dx2y2 -0.006395 0.004354 0.008612 -0.014316 0.008993 0.021488 34O 2dxy -0.011661 0.009593 0.012937 -0.008260 0.005745 -0.023643 34O 1f0 -0.000517 0.000325 0.000355 0.000700 -0.000159 -0.000721 34O 1f+1 0.000008 0.000143 -0.000052 0.000051 -0.000464 -0.000873 34O 1f-1 0.000421 -0.000207 -0.000627 0.000288 -0.000360 0.000308 34O 1f+2 0.001066 -0.000968 -0.001323 0.000481 -0.001140 0.000303 34O 1f-2 -0.000287 0.000044 -0.000346 0.000279 -0.000193 -0.000679 34O 1f+3 0.000169 0.000367 -0.000514 0.001120 -0.000418 -0.000251 34O 1f-3 0.000599 -0.000326 -0.001339 0.001215 -0.000361 0.001249 35O 1s -0.003176 -0.001785 -0.002588 0.002533 0.001123 -0.000071 35O 2s -0.006518 -0.004035 -0.006178 0.005656 0.001988 -0.000382 35O 3s -0.010271 0.002677 0.006097 0.000796 0.011746 0.005707 35O 4s 0.121699 0.063446 0.050418 -0.078354 -0.095014 -0.008609 35O 5s -0.045336 -0.458804 0.286185 0.267338 -0.194691 -0.171200 35O 1pz -0.078878 -0.030366 -0.060645 0.027589 0.015871 0.014342 35O 1px 0.002636 0.037388 0.033648 -0.060908 -0.000165 0.061887 35O 1py 0.004868 0.024466 -0.045966 -0.073385 0.004341 -0.018511 35O 2pz -0.117471 -0.045284 -0.064647 0.046092 0.016973 0.019549 35O 2px 0.003292 0.010077 0.052868 -0.064026 -0.026213 0.051192 35O 2py 0.032412 -0.003388 -0.052081 -0.102392 -0.012779 -0.062711 35O 3pz 0.197380 0.135539 0.014503 -0.034910 -0.096534 -0.047569 35O 3px 0.212969 -0.080541 0.029214 -0.055699 -0.106926 -0.117268 35O 3py -0.099163 0.128685 0.107950 0.187737 -0.050074 0.176561 35O 1dz2 0.002430 0.000183 0.001692 -0.000982 -0.001361 -0.001060 35O 1dxz 0.000480 0.000855 0.003256 0.002156 0.001439 -0.000511 35O 1dyz 0.000479 0.001987 0.003058 0.001184 -0.000363 0.000215 35O 1dx2y2 -0.002857 -0.002607 -0.000510 0.001379 -0.000118 0.002274 35O 1dxy 0.000122 0.002447 0.000232 0.000521 0.000914 -0.000193 35O 2dz2 -0.006017 0.013841 -0.002130 -0.002856 0.002277 0.013784 35O 2dxz 0.009546 0.008101 0.017825 -0.004560 -0.006704 -0.003450 35O 2dyz 0.013112 -0.006434 0.011489 -0.000522 -0.000524 -0.001312 35O 2dx2y2 0.003053 -0.018040 -0.011301 0.006759 -0.005900 -0.016341 35O 2dxy 0.006880 -0.010280 0.010004 0.012919 -0.003385 -0.009352 35O 1f0 -0.000912 -0.000718 -0.000639 0.000497 0.000442 0.000287 35O 1f+1 -0.000130 0.001018 0.000410 0.000089 -0.000035 0.000977 35O 1f-1 -0.000384 0.000251 -0.000527 0.000719 0.000711 -0.000261 35O 1f+2 0.000781 0.000443 0.000344 -0.000696 -0.000550 -0.000061 35O 1f-2 0.000791 0.000464 0.001126 0.000385 -0.000089 0.000090 35O 1f+3 -0.000341 0.000536 0.001842 -0.000083 0.000227 0.000964 35O 1f-3 -0.000840 0.000754 -0.000250 -0.000108 -0.000134 0.001125 192 193 194 195 196 197 0.43694 0.44067 0.44411 0.44639 0.44749 0.45589 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s -0.000459 -0.000898 0.001163 0.000891 -0.000414 0.000541 0Rh 2s 0.001535 0.002248 -0.004956 -0.003747 0.001335 -0.001381 0Rh 3s -0.001722 -0.003840 0.003705 0.002870 -0.001583 0.002299 0Rh 4s -0.006737 -0.009486 0.022340 0.016861 -0.005848 0.005852 0Rh 5s 0.003818 -0.002010 -0.023270 -0.017036 0.002948 0.000911 0Rh 6s 0.018818 0.056436 -0.021420 -0.018689 0.017477 -0.033667 0Rh 7s -0.011562 -0.277795 0.009019 0.060579 -0.042484 0.188856 0Rh 8s -0.032386 -0.396361 -0.133453 -0.180710 0.106117 0.201221 0Rh 1pz -0.005459 -0.005436 0.000062 -0.000412 0.001310 -0.002155 0Rh 1px -0.000626 -0.002210 0.000294 -0.000533 0.000071 -0.001001 0Rh 1py -0.005693 0.005464 -0.010493 -0.008128 0.001982 -0.001571 0Rh 2pz 0.019255 0.019043 -0.000082 0.001599 -0.004176 0.007428 0Rh 2px 0.002326 0.007959 -0.001636 0.001377 -0.000176 0.003281 0Rh 2py 0.019693 -0.018864 0.036486 0.028305 -0.006904 0.005400 0Rh 3pz -0.025705 -0.023049 -0.002461 -0.004778 -0.002613 -0.006702 0Rh 3px -0.005201 -0.013729 0.013347 0.007517 -0.001126 0.000342 0Rh 3py -0.019211 0.017711 -0.038874 -0.030985 0.007594 -0.004642 0Rh 4pz 0.006486 -0.002626 0.010209 0.010044 0.029989 -0.009523 0Rh 4px 0.008280 0.015031 -0.043199 -0.035532 0.005289 -0.017784 0Rh 4py -0.019905 0.022036 -0.026260 -0.016965 0.003892 -0.007658 0Rh 5pz -0.077062 -0.051585 -0.023456 -0.018945 -0.057332 -0.000596 0Rh 5px -0.022724 -0.058462 0.089475 0.067865 -0.013989 0.034723 0Rh 5py -0.016548 0.009035 -0.048775 -0.045682 0.009534 -0.003205 0Rh 6pz 1.152457 0.565445 0.156610 0.031276 0.795313 -0.134506 0Rh 6px 0.218707 0.788971 -0.496656 -0.376106 0.229446 -0.579558 0Rh 6py 0.131547 -0.181458 0.718431 0.562470 0.054499 0.192615 0Rh 1dz2 -0.025205 -0.019258 -0.002364 -0.001611 -0.009467 0.004369 0Rh 1dxz 0.015557 0.017197 -0.001240 0.000760 0.010776 -0.005145 0Rh 1dyz 0.001064 0.004745 0.001903 -0.002700 0.003808 0.000314 0Rh 1dx2y2 -0.001638 0.002884 -0.001626 -0.002037 0.004853 0.002450 0Rh 1dxy -0.001057 0.001829 0.004875 0.001987 -0.005851 -0.006356 0Rh 2dz2 0.001159 0.001106 -0.000196 0.000688 0.000132 -0.000112 0Rh 2dxz -0.001684 -0.001668 0.000075 -0.000462 -0.000609 0.000391 0Rh 2dyz 0.000750 -0.000340 0.000360 0.000002 -0.000210 -0.000229 0Rh 2dx2y2 0.000251 -0.000488 0.000501 0.000547 -0.000092 -0.000078 0Rh 2dxy -0.000068 0.000330 -0.001591 -0.001003 0.000545 0.000564 0Rh 3dz2 0.042098 0.031287 0.005248 0.000136 0.017125 -0.007707 0Rh 3dxz -0.022020 -0.025158 0.001948 0.000497 -0.017591 0.008008 0Rh 3dyz -0.005050 -0.007390 -0.004896 0.004830 -0.006160 0.000368 0Rh 3dx2y2 0.002012 -0.003360 0.001008 0.001561 -0.008668 -0.004199 0Rh 3dxy 0.002147 -0.004811 -0.002411 0.000418 0.008592 0.009523 0Rh 4dz2 0.044243 0.036854 -0.000692 0.011578 0.011849 -0.006693 0Rh 4dxz -0.039657 -0.041656 0.002815 -0.007409 -0.019914 0.010994 0Rh 4dyz 0.007474 -0.010711 -0.000242 0.006457 -0.008096 -0.003451 0Rh 4dx2y2 0.006279 -0.009200 0.008389 0.009555 -0.006084 -0.004306 0Rh 4dxy 0.000397 0.002034 -0.027932 -0.014730 0.013922 0.015080 0Rh 5dz2 0.068529 0.037728 0.040627 -0.048240 0.063726 -0.015170 0Rh 5dxz 0.007590 0.006725 -0.005963 0.029542 -0.035576 0.003255 0Rh 5dyz -0.034763 0.014496 0.023758 -0.043738 0.016218 0.015987 0Rh 5dx2y2 -0.021689 0.010070 -0.014280 -0.023130 -0.030892 0.002797 0Rh 5dxy 0.013709 -0.025404 0.092867 0.032610 -0.000375 -0.008789 0Rh 1f0 -0.000382 0.002460 -0.005093 -0.005057 0.001340 -0.000769 0Rh 1f+1 -0.001947 -0.002162 -0.002914 0.000247 0.001471 0.000093 0Rh 1f-1 -0.000334 0.002122 -0.004171 -0.005519 0.003393 -0.003544 0Rh 1f+2 -0.000501 0.002216 -0.003205 -0.003209 -0.002148 0.000891 0Rh 1f-2 -0.006952 0.001160 -0.004110 -0.001319 -0.001766 -0.001176 0Rh 1f+3 0.004284 -0.001684 0.000745 -0.000483 0.001494 -0.000821 0Rh 1f-3 0.000818 0.002265 0.006792 0.003140 0.003039 0.001461 1Rh 1s 0.000369 0.000847 0.001122 0.000841 0.000663 -0.000464 1Rh 2s -0.001166 -0.002029 -0.004800 -0.003568 -0.002391 0.001225 1Rh 3s 0.001427 0.003681 0.003563 0.002689 0.002382 -0.001945 1Rh 4s 0.005085 0.008500 0.021642 0.016070 0.010604 -0.005220 1Rh 5s -0.002222 0.003044 -0.022670 -0.016467 -0.007834 -0.000217 1Rh 6s -0.016698 -0.055465 -0.020327 -0.016978 -0.022379 0.027548 1Rh 7s 0.009369 0.283569 0.007575 0.056638 0.056347 -0.169491 1Rh 8s 0.042343 0.388657 -0.106388 -0.160720 -0.150842 -0.198337 1Rh 1pz -0.005321 -0.005543 -0.000733 -0.000154 0.001231 -0.002108 1Rh 1px -0.000536 -0.002119 -0.000450 0.000403 0.000172 -0.001224 1Rh 1py -0.006724 0.004854 0.009975 0.007667 0.004046 -0.000900 1Rh 2pz 0.018793 0.019425 0.002383 0.000345 -0.003941 0.007247 1Rh 2px 0.001962 0.007613 0.002170 -0.000935 -0.000392 0.004082 1Rh 2py 0.023283 -0.016738 -0.034685 -0.026702 -0.014082 0.003074 1Rh 3pz -0.025553 -0.023663 0.000611 0.003148 -0.002151 -0.006234 1Rh 3px -0.003859 -0.012797 -0.013736 -0.007822 -0.003438 -0.001007 1Rh 3py -0.023156 0.015322 0.036949 0.029264 0.015290 -0.002273 1Rh 4pz 0.008113 -0.002110 -0.014083 -0.013083 0.027133 -0.010434 1Rh 4px 0.004846 0.013099 0.042125 0.034569 0.015161 -0.016405 1Rh 4py -0.021958 0.021012 0.025031 0.015888 0.008903 -0.005572 1Rh 5pz -0.079052 -0.053703 0.025304 0.020087 -0.052587 0.001626 1Rh 5px -0.014572 -0.053489 -0.088504 -0.066874 -0.032721 0.029181 1Rh 5py -0.022925 0.004947 0.046330 0.043570 0.019180 -0.000754 1Rh 6pz 1.160102 0.583176 -0.183855 -0.049636 0.775207 -0.143838 1Rh 6px 0.167504 0.759920 0.487307 0.367576 0.327661 -0.544593 1Rh 6py 0.225468 -0.126917 -0.706900 -0.559422 -0.075391 0.150962 1Rh 1dz2 0.025214 0.019474 -0.002153 -0.001118 0.008762 -0.004470 1Rh 1dxz -0.015445 -0.017087 -0.000493 0.001063 -0.010790 0.004739 1Rh 1dyz -0.000976 -0.004689 0.002150 -0.002537 -0.003704 -0.000430 1Rh 1dx2y2 0.001886 -0.002723 -0.000695 -0.001386 -0.005352 -0.002424 1Rh 1dxy 0.000652 -0.002040 0.003877 0.001291 0.006419 0.006627 1Rh 2dz2 -0.001126 -0.001125 -0.000262 0.000608 -0.000042 0.000116 1Rh 2dxz 0.001683 0.001686 0.000094 -0.000427 0.000580 -0.000390 1Rh 2dyz -0.000781 0.000309 0.000325 -0.000032 0.000228 0.000225 1Rh 2dx2y2 -0.000320 0.000454 0.000475 0.000546 0.000236 0.000133 1Rh 2dxy 0.000185 -0.000261 -0.001470 -0.000931 -0.000836 -0.000651 1Rh 3dz2 -0.042254 -0.031613 0.005131 -0.000451 -0.016176 0.007883 1Rh 3dxz 0.021816 0.024880 0.000481 -0.000209 0.017733 -0.007253 1Rh 3dyz 0.005013 0.007419 -0.005201 0.004675 0.005887 -0.000133 1Rh 3dx2y2 -0.002190 0.003196 -0.000621 0.000350 0.009013 0.003926 1Rh 3dxy -0.001882 0.004920 -0.001058 0.001412 -0.008439 -0.009665 1Rh 4dz2 -0.043804 -0.037375 -0.001900 0.009858 -0.009908 0.006754 1Rh 4dxz 0.039527 0.041777 0.002219 -0.007279 0.019543 -0.010584 1Rh 4dyz -0.007946 0.010168 -0.001053 0.005761 0.008250 0.003471 1Rh 4dx2y2 -0.007490 0.008541 0.007018 0.008827 0.008533 0.005059 1Rh 4dxy 0.001634 -0.000918 -0.025176 -0.012972 -0.018516 -0.016544 1Rh 5dz2 -0.070922 -0.037281 0.045861 -0.043582 -0.064763 0.018046 1Rh 5dxz -0.008283 -0.008599 -0.012149 0.024849 0.036882 0.000887 1Rh 5dyz 0.035121 -0.011650 0.026374 -0.040694 -0.017592 -0.013311 1Rh 5dx2y2 0.024707 -0.008301 -0.018434 -0.027163 0.025874 -0.008656 1Rh 5dxy -0.018480 0.023296 0.090624 0.031887 0.016302 0.012102 1Rh 1f0 -0.001002 0.002134 0.004911 0.004897 0.002512 -0.000497 1Rh 1f+1 -0.002130 -0.002155 0.002570 -0.000574 0.001777 0.000072 1Rh 1f-1 -0.000830 0.001692 0.003505 0.005047 0.004341 -0.003201 1Rh 1f+2 -0.000953 0.001967 0.003627 0.003480 -0.001368 0.001035 1Rh 1f-2 -0.007305 0.000978 0.004131 0.001339 -0.001150 -0.000878 1Rh 1f+3 0.004358 -0.001643 -0.000863 0.000381 0.001487 -0.000893 1Rh 1f-3 0.001357 0.002606 -0.007077 -0.003316 0.001866 0.000942 2C 1s -0.021769 -0.007031 -0.013637 0.005216 0.028208 0.001589 2C 2s -0.045602 -0.014813 -0.028758 0.011056 0.059559 0.003380 2C 3s -0.079312 -0.034726 -0.020333 0.015424 0.041281 0.008986 2C 4s 1.375178 0.468890 0.622365 -0.282796 -1.374663 -0.132353 2C 5s -2.196820 0.673554 -3.830087 -0.608637 7.738237 0.366574 2C 1pz -0.018444 0.012863 0.023759 0.014483 0.059531 -0.072673 2C 1px -0.013838 0.000641 0.053882 -0.008032 0.015327 -0.048973 2C 1py 0.020471 -0.017799 -0.143621 0.030157 0.019521 0.127521 2C 2pz -0.032911 0.073997 0.049136 0.050231 0.333731 -0.281466 2C 2px -0.098008 -0.020966 0.207046 -0.022068 0.078772 -0.202005 2C 2py 0.115826 -0.019924 -0.599950 0.084515 0.151288 0.516394 2C 3pz 0.257983 0.120274 -1.081852 -0.257155 1.233423 0.296490 2C 3px 0.090529 -0.104789 -0.633818 -0.164371 0.120329 0.354856 2C 3py 0.006769 0.861671 0.273924 -0.481374 0.967437 -0.812092 2C 1dz2 0.002561 0.003208 0.004264 -0.001298 -0.000553 -0.002919 2C 1dxz -0.002164 0.002536 0.005416 -0.002360 0.001279 -0.005377 2C 1dyz 0.004171 0.000421 -0.000250 -0.000755 -0.002570 0.001850 2C 1dx2y2 -0.000826 0.001543 0.002793 0.000282 0.000989 -0.002854 2C 1dxy 0.002742 0.000604 -0.004336 -0.000645 -0.000384 0.003418 2C 2dz2 -0.007612 0.059211 -0.039062 -0.032517 0.023879 0.049195 2C 2dxz 0.000521 0.035504 -0.043325 0.022682 0.034097 0.043083 2C 2dyz -0.011631 -0.038667 -0.009489 0.013513 0.059282 -0.028883 2C 2dx2y2 -0.019328 0.030634 -0.009501 -0.001550 -0.010053 0.036684 2C 2dxy -0.028371 -0.008417 0.016046 0.005676 0.032883 -0.019011 2C 1f0 0.004397 0.001854 -0.006172 -0.001573 -0.006501 0.008862 2C 1f+1 -0.000499 -0.000946 0.006364 0.000373 0.000883 -0.007458 2C 1f-1 0.005813 0.002815 0.001473 -0.000590 -0.002014 -0.001909 2C 1f+2 -0.010521 -0.003974 -0.008938 0.004795 0.009208 0.004706 2C 1f-2 0.012410 0.005811 -0.000377 -0.001847 -0.010131 0.004721 2C 1f+3 -0.010507 -0.003896 -0.012847 0.004195 0.011008 0.009989 2C 1f-3 -0.003008 -0.002008 0.004683 -0.000966 0.002437 -0.005222 3C 1s 0.007593 -0.030337 0.004825 -0.008357 0.000788 -0.017018 3C 2s 0.015827 -0.063512 0.010194 -0.017429 0.001483 -0.036375 3C 3s 0.009313 -0.089562 0.002285 -0.027077 -0.008171 -0.020731 3C 4s -0.321732 1.769426 -0.163072 0.454497 0.004308 0.807715 3C 5s 3.160918 -5.806581 -0.311893 -2.019036 2.180791 -3.935938 3C 1pz 0.049083 -0.076701 0.008845 -0.166321 0.042518 0.102842 3C 1px 0.033348 -0.026942 0.009054 -0.063727 0.020298 0.019787 3C 1py -0.020242 0.011138 -0.015336 -0.050496 0.014009 0.082277 3C 2pz 0.169387 -0.316325 0.017695 -0.647249 0.210432 0.379105 3C 2px 0.168080 -0.117144 0.047574 -0.247086 0.103888 0.050222 3C 2py -0.111751 0.042525 -0.090449 -0.215096 0.019445 0.391596 3C 3pz -0.132920 0.046285 -0.129614 0.791078 0.303385 -1.250650 3C 3px 0.005211 -0.258894 -0.000249 0.227004 0.218277 -0.348924 3C 3py -1.058358 0.612992 0.021667 0.806968 -0.512469 0.191935 3C 1dz2 0.002254 -0.000674 0.000521 -0.000775 -0.000179 0.000085 3C 1dxz 0.002048 -0.000128 0.001114 -0.003473 0.000962 0.002814 3C 1dyz -0.001141 -0.002665 0.001996 0.003686 -0.001833 -0.005209 3C 1dx2y2 0.003732 -0.003250 0.001584 -0.007519 0.000804 0.004306 3C 1dxy -0.000069 -0.003971 -0.000289 -0.004283 -0.000151 0.002408 3C 2dz2 0.027104 0.029978 0.026831 0.011672 -0.044390 0.014599 3C 2dxz 0.031401 0.015821 0.004889 0.027331 -0.025313 -0.027630 3C 2dyz -0.032644 0.017608 -0.042088 -0.040242 0.031501 0.047472 3C 2dx2y2 0.027807 0.023882 -0.014691 0.039431 -0.064224 0.007144 3C 2dxy -0.020570 0.029699 0.014598 0.031733 -0.011807 0.015699 3C 1f0 -0.002268 0.010733 -0.001135 0.013816 -0.005743 -0.004562 3C 1f+1 -0.000035 0.005077 0.001248 0.005282 -0.001483 -0.001303 3C 1f-1 0.000579 0.005637 -0.002127 -0.008437 0.005358 0.010248 3C 1f+2 0.004588 -0.019220 0.001181 -0.006995 -0.000904 -0.008200 3C 1f-2 0.001368 -0.014068 0.001044 -0.005657 -0.000419 -0.004365 3C 1f+3 -0.000363 0.005118 0.000596 0.009440 -0.003818 -0.006611 3C 1f-3 -0.001400 0.000266 -0.003849 -0.000618 -0.000389 0.002612 4C 1s 0.012258 0.001779 0.014855 -0.002952 -0.020923 0.000453 4C 2s 0.025831 0.003636 0.031896 -0.006529 -0.044857 0.000760 4C 3s 0.017923 0.045612 -0.038090 0.015413 0.075551 -0.017248 4C 4s -0.568024 -0.372439 -0.303272 -0.027334 0.381975 0.095429 4C 5s 1.676006 -0.748334 3.368171 0.496750 -5.454997 0.182422 4C 1pz 0.041277 -0.012194 -0.044366 0.050285 0.031648 -0.010980 4C 1px -0.052216 -0.046503 -0.025876 0.001958 0.007253 -0.010717 4C 1py -0.046830 0.052020 -0.013735 -0.001851 0.004571 0.021497 4C 2pz 0.056599 -0.134845 -0.029814 0.047038 -0.017331 -0.028508 4C 2px -0.210303 -0.293073 0.078952 0.181053 -0.189077 0.063912 4C 2py -0.146398 0.095730 0.007521 0.011351 -0.096107 0.157031 4C 3pz 1.047441 1.468398 -1.172663 -1.198815 2.077269 0.171911 4C 3px 0.539841 0.698730 0.005703 0.136439 0.444315 0.047059 4C 3py 1.019044 0.059719 -0.568352 -0.397335 1.413224 -0.326858 4C 1dz2 0.007403 0.003945 -0.010350 -0.000483 0.009978 0.001882 4C 1dxz 0.010525 0.003392 -0.005265 0.003881 0.000466 0.004326 4C 1dyz 0.000341 0.003314 -0.003951 0.001590 0.008567 -0.003155 4C 1dx2y2 -0.007510 -0.009523 0.002197 -0.001083 -0.007245 0.005818 4C 1dxy -0.004426 -0.004679 0.002296 -0.000012 -0.003701 -0.000186 4C 2dz2 -0.039223 -0.048446 -0.040963 -0.023305 -0.063584 0.012793 4C 2dxz -0.080097 -0.063529 0.045838 0.094689 -0.036986 0.003216 4C 2dyz -0.053329 -0.020073 0.121906 -0.029777 -0.108436 0.002680 4C 2dx2y2 0.024173 -0.073393 0.014719 0.022475 -0.039185 0.019792 4C 2dxy 0.056110 -0.015726 -0.008820 0.024552 -0.071885 0.067146 4C 1f0 0.003378 0.000214 -0.000888 0.001003 0.002398 -0.004367 4C 1f+1 0.001173 0.005448 0.000726 0.001376 0.006018 -0.003240 4C 1f-1 0.004542 0.003701 0.000431 -0.002049 0.002843 -0.002108 4C 1f+2 -0.001364 -0.006400 0.001651 -0.002034 -0.002032 -0.001932 4C 1f-2 0.001354 -0.002825 0.001300 0.003140 -0.001413 -0.001311 4C 1f+3 0.005439 0.005236 -0.002298 -0.004118 0.002607 0.000147 4C 1f-3 0.003737 0.007580 -0.004224 -0.001128 0.007954 -0.004612 5C 1s -0.008799 0.022139 -0.009322 0.009396 -0.002334 0.010901 5C 2s -0.018874 0.047109 -0.020532 0.019977 -0.005385 0.023183 5C 3s 0.056801 -0.023002 0.021193 -0.022688 0.045820 -0.015700 5C 4s -0.023817 -0.675426 0.337767 -0.077642 -0.196014 -0.440710 5C 5s -2.458729 4.400674 -0.259822 1.973492 -1.454533 2.577810 5C 1pz -0.022482 -0.008885 -0.008261 -0.014460 0.065436 -0.018351 5C 1px 0.077322 -0.007883 0.027271 -0.018441 0.044466 0.004226 5C 1py -0.040401 0.050805 -0.035712 0.069716 0.036598 -0.039921 5C 2pz -0.276045 -0.069420 0.077455 0.013152 0.096641 -0.034923 5C 2px 0.272631 0.072394 -0.236528 -0.137668 0.183787 0.069837 5C 2py 0.056962 0.056040 -0.188117 -0.010559 0.217162 -0.057957 5C 3pz 1.347913 -0.023358 0.002841 0.029100 0.184150 -0.532850 5C 3px 0.338419 0.230939 -0.666646 -0.217988 0.164244 -0.496024 5C 3py -1.028171 0.145778 0.584960 0.218791 -1.642110 1.114870 5C 1dz2 0.000893 0.003992 0.001339 0.001877 0.003033 -0.002690 5C 1dxz 0.006508 0.004826 -0.002306 -0.001402 0.005585 -0.002620 5C 1dyz -0.002811 0.004196 -0.005712 -0.000761 -0.000015 0.007308 5C 1dx2y2 -0.011744 0.001730 -0.003751 0.011258 -0.007250 -0.004139 5C 1dxy -0.005132 0.000454 0.001734 0.006366 -0.005726 -0.001931 5C 2dz2 -0.026082 -0.042572 0.027240 0.064216 0.005290 -0.064170 5C 2dxz -0.054078 -0.069549 -0.091784 -0.055255 0.010452 0.027535 5C 2dyz 0.135322 -0.024000 0.003177 -0.087479 0.049515 -0.033945 5C 2dx2y2 -0.015021 0.038279 -0.049685 0.002216 0.025424 -0.023557 5C 2dxy -0.030772 -0.036460 0.117799 -0.009015 0.009536 -0.012158 5C 1f0 0.007046 -0.000668 -0.004273 -0.003382 0.003211 0.000551 5C 1f+1 -0.000497 -0.003529 0.003798 -0.001176 0.000373 -0.000297 5C 1f-1 0.003372 0.000764 -0.000636 0.000189 -0.004502 -0.000027 5C 1f+2 -0.005659 -0.004277 -0.000599 -0.001805 -0.001480 0.000841 5C 1f-2 -0.006828 -0.001267 0.007662 0.004882 -0.007965 -0.001218 5C 1f+3 0.003723 0.000999 0.002940 0.002200 0.002147 -0.001523 5C 1f-3 -0.004423 0.000645 0.000579 0.000156 -0.003609 0.000149 6C 1s 0.009029 -0.022205 -0.010076 0.008607 0.002131 -0.012083 6C 2s 0.019410 -0.047240 -0.022188 0.018241 0.004845 -0.025802 6C 3s -0.057217 0.023989 0.027313 -0.017350 -0.044129 0.017210 6C 4s 0.006303 0.664684 0.326652 -0.085234 0.223451 0.489207 6C 5s 2.425748 -4.442938 -0.494811 1.730132 1.608925 -2.756600 6C 1pz -0.022283 -0.009204 -0.002681 0.004225 0.065814 -0.019829 6C 1px 0.077413 -0.008594 -0.031357 0.015009 0.042431 0.001384 6C 1py -0.039030 0.052453 0.030943 -0.072366 0.031203 -0.038281 6C 2pz -0.267399 -0.066681 -0.100792 -0.036460 0.079476 -0.043720 6C 2px 0.254275 0.064438 0.216774 0.121130 0.227879 0.076231 6C 2py 0.047808 0.050964 0.157593 -0.013966 0.235216 -0.049268 6C 3pz 1.349479 -0.020252 0.031644 0.005115 0.192596 -0.562869 6C 3px 0.286684 0.203670 0.663861 0.216322 0.265803 -0.497309 6C 3py -1.009650 0.161843 -0.395152 -0.055064 -1.702654 1.171604 6C 1dz2 -0.001011 -0.004006 0.001792 0.002122 -0.002507 0.002617 6C 1dxz -0.006352 -0.004692 -0.001696 -0.000913 -0.005854 0.002516 6C 1dyz 0.003056 -0.004153 -0.005803 -0.000754 -0.000877 -0.007410 6C 1dx2y2 0.011514 -0.002086 -0.004314 0.010575 0.008064 0.003816 6C 1dxy 0.004910 -0.000585 0.001068 0.005687 0.006706 0.001999 6C 2dz2 0.022542 0.041229 0.031702 0.067051 0.009416 0.065172 6C 2dxz 0.060313 0.073431 -0.083279 -0.047949 -0.027231 -0.031910 6C 2dyz -0.132267 0.027189 0.006973 -0.084421 -0.059483 0.030356 6C 2dx2y2 0.016938 -0.037060 -0.046509 0.005061 -0.030074 0.020334 6C 2dxy 0.025527 0.035700 0.118663 -0.007404 0.005200 0.014041 6C 1f0 0.006709 -0.000813 0.003926 0.003060 0.004122 0.000690 6C 1f+1 -0.000358 -0.003562 -0.003980 0.001009 -0.000065 -0.000356 6C 1f-1 0.003254 0.000746 0.001301 0.000493 -0.004308 0.000246 6C 1f+2 -0.005765 -0.004376 0.000544 0.001633 -0.001235 0.000791 6C 1f-2 -0.006310 -0.000966 -0.006544 -0.003968 -0.009317 -0.001709 6C 1f+3 0.003883 0.001031 -0.003085 -0.002254 0.001377 -0.001549 6C 1f-3 -0.004432 0.000742 -0.000058 0.000217 -0.003574 0.000117 7C 1s -0.012784 -0.001635 0.011112 -0.006325 0.022264 -0.000010 7C 2s -0.026961 -0.003304 0.023885 -0.013750 0.047726 0.000202 7C 3s -0.015877 -0.046217 -0.028146 0.023777 -0.077767 0.013183 7C 4s 0.575237 0.368965 -0.219289 0.054946 -0.422700 -0.093163 7C 5s -1.818284 0.729254 2.494528 -0.253377 5.891399 -0.069757 7C 1pz 0.040959 -0.011033 0.037169 -0.054032 0.031284 -0.014665 7C 1px -0.051675 -0.046316 0.021591 -0.006031 0.011160 -0.012128 7C 1py -0.047757 0.051646 0.011499 0.000520 0.005604 0.022149 7C 2pz 0.057272 -0.134845 0.026713 -0.049800 -0.017571 -0.032201 7C 2px -0.199110 -0.282388 -0.062553 -0.169011 -0.215570 0.048846 7C 2py -0.144492 0.096162 0.004408 -0.001338 -0.099366 0.152207 7C 3pz 0.955506 1.413068 0.957291 1.026160 2.351052 0.232395 7C 3px 0.551247 0.710349 -0.030981 -0.155539 0.421050 0.051875 7C 3py 0.986104 0.052223 0.408768 0.260710 1.539502 -0.299872 7C 1dz2 -0.007018 -0.003760 -0.008943 0.000529 -0.011371 -0.001814 7C 1dxz -0.010414 -0.003464 -0.005400 0.003468 -0.000783 -0.003877 7C 1dyz -0.000233 -0.003342 -0.002821 0.002529 -0.008781 0.002655 7C 1dx2y2 0.007265 0.009557 0.001481 -0.001443 0.007230 -0.005392 7C 1dxy 0.004480 0.004658 0.002019 -0.000233 0.004074 -0.000019 7C 2dz2 0.039883 0.050561 -0.045241 -0.026415 0.053560 -0.006820 7C 2dxz 0.075679 0.058736 0.045273 0.094478 0.054074 0.002585 7C 2dyz 0.048692 0.019588 0.108590 -0.041146 0.120185 0.003250 7C 2dx2y2 -0.026283 0.072540 0.009336 0.017810 0.042425 -0.017186 7C 2dxy -0.056414 0.015446 -0.022462 0.013427 0.071754 -0.059877 7C 1f0 0.003244 0.000197 0.000653 -0.001197 0.002339 -0.004135 7C 1f+1 0.001141 0.005552 -0.001510 -0.001965 0.005671 -0.002960 7C 1f-1 0.004494 0.003603 -0.000543 0.001918 0.003014 -0.001748 7C 1f+2 -0.001307 -0.006462 -0.001597 0.002022 -0.001977 -0.001937 7C 1f-2 0.001411 -0.002699 -0.001028 -0.002924 -0.001903 -0.001348 7C 1f+3 0.005189 0.004989 0.002226 0.004062 0.003381 0.000328 7C 1f-3 0.003554 0.007463 0.003204 0.000371 0.008517 -0.004217 8C 1s -0.007686 0.030606 0.005301 -0.007660 -0.000861 0.017977 8C 2s -0.016027 0.064083 0.011181 -0.015989 -0.001595 0.038317 8C 3s -0.008711 0.090261 0.002567 -0.025517 0.005324 0.024723 8C 4s 0.322346 -1.782931 -0.186820 0.414488 0.015600 -0.875921 8C 5s -3.121680 5.872284 -0.016104 -1.694729 -2.379788 4.251124 8C 1pz 0.045023 -0.080218 -0.011229 0.159224 0.063614 0.097926 8C 1px 0.030669 -0.028697 -0.011003 0.060761 0.026228 0.021869 8C 1py -0.022088 0.010780 0.015094 0.048637 0.023580 0.081965 8C 2pz 0.153906 -0.330000 -0.033550 0.613212 0.292326 0.358304 8C 2px 0.158418 -0.123927 -0.058127 0.233403 0.124222 0.058592 8C 2py -0.122168 0.039870 0.091716 0.209194 0.064205 0.389818 8C 3pz -0.118785 0.050334 0.053270 -0.825124 0.185113 -1.232918 8C 3px 0.028386 -0.246591 -0.039431 -0.260105 0.188862 -0.378381 8C 3py -1.034054 0.628255 0.010946 -0.763298 -0.617085 0.236042 8C 1dz2 -0.002276 0.000658 0.000393 -0.000870 0.000063 0.000001 8C 1dxz -0.001959 0.000227 0.001090 -0.003508 -0.001338 -0.002896 8C 1dyz 0.000967 0.002612 0.002003 0.003542 0.002651 0.005161 8C 1dx2y2 -0.003517 0.003414 0.001466 -0.007366 -0.001622 -0.004100 8C 1dxy 0.000170 0.004087 -0.000246 -0.004174 -0.000483 -0.002383 8C 2dz2 -0.027982 -0.031030 0.018811 0.004032 0.047579 -0.016885 8C 2dxz -0.032314 -0.016292 -0.000446 0.022293 0.028932 0.028678 8C 2dyz 0.035799 -0.015773 -0.036946 -0.034363 -0.041148 -0.047049 8C 2dx2y2 -0.027275 -0.023927 -0.024149 0.029177 0.064981 -0.007723 8C 2dxy 0.018896 -0.031590 0.012793 0.030450 0.017339 -0.017087 8C 1f0 -0.001986 0.011108 0.001798 -0.012787 -0.007236 -0.004025 8C 1f+1 0.000163 0.004791 -0.001079 -0.004622 -0.002212 -0.000957 8C 1f-1 0.000229 0.005358 0.001682 0.007961 0.006838 0.010330 8C 1f+2 0.004420 -0.019440 -0.001297 0.006742 -0.000285 -0.008560 8C 1f-2 0.001351 -0.014428 -0.001235 0.005240 -0.000032 -0.005096 8C 1f+3 0.000012 0.005199 -0.000196 -0.008722 -0.005065 -0.006575 8C 1f-3 -0.001512 0.000121 0.003856 0.000478 0.000149 0.002189 9C 1s 0.021967 0.006608 -0.008883 0.009730 -0.028945 -0.002315 9C 2s 0.046043 0.013943 -0.018780 0.020591 -0.061093 -0.005015 9C 3s 0.078293 0.032936 -0.010105 0.024008 -0.041593 -0.006559 9C 4s -1.373889 -0.440097 0.371011 -0.515171 1.403202 0.140595 9C 5s 2.317366 -0.696023 -2.660042 0.412558 -8.232388 -0.452723 9C 1pz -0.018798 0.014395 -0.032779 -0.021435 0.052244 -0.065983 9C 1px -0.012768 0.001849 -0.055131 0.006869 0.008574 -0.044686 9C 1py 0.018626 -0.019000 0.137114 -0.033803 0.036689 0.115870 9C 2pz -0.036833 0.079429 -0.093749 -0.088137 0.310290 -0.246816 9C 2px -0.094283 -0.015939 -0.215356 0.013510 0.051386 -0.183437 9C 2py 0.105074 -0.026569 0.568061 -0.106043 0.227522 0.476537 9C 3pz 0.218408 0.098225 0.906128 0.103106 1.402189 0.292746 9C 3px 0.055080 -0.126806 0.595142 0.140327 0.224308 0.324921 9C 3py -0.019561 0.854611 -0.361099 0.399203 0.966079 -0.696062 9C 1dz2 -0.002579 -0.003197 0.003862 -0.001601 0.000997 0.002592 9C 1dxz 0.002092 -0.002556 0.005458 -0.002237 -0.000785 0.004889 9C 1dyz -0.004131 -0.000389 -0.000624 -0.001240 0.002365 -0.001582 9C 1dx2y2 0.000843 -0.001627 0.003046 0.000352 -0.000478 0.002680 9C 1dxy -0.002677 -0.000491 -0.004395 -0.000748 -0.000373 -0.003034 9C 2dz2 0.010170 -0.057677 -0.037008 -0.031111 -0.032167 -0.050911 9C 2dxz -0.001080 -0.035704 -0.040084 0.026004 -0.036571 -0.041494 9C 2dyz 0.012045 0.037070 -0.002280 0.022184 -0.058628 0.023467 9C 2dx2y2 0.018688 -0.030758 -0.011711 -0.002898 0.008839 -0.034142 9C 2dxy 0.027738 0.007211 0.021201 0.011287 -0.029726 0.016412 9C 1f0 0.004271 0.001611 0.007318 0.002506 -0.005267 0.008272 9C 1f+1 -0.000295 -0.000765 -0.006214 -0.000319 -0.000210 -0.006697 9C 1f-1 0.005561 0.002637 -0.000985 0.001048 -0.002016 -0.001736 9C 1f+2 -0.010961 -0.003984 0.006946 -0.006650 0.009995 0.004240 9C 1f-2 0.012179 0.005435 0.002280 0.003505 -0.009411 0.004050 9C 1f+3 -0.010336 -0.003648 0.010877 -0.006095 0.011941 0.009722 9C 1f-3 -0.003386 -0.002051 -0.004550 0.000378 0.002352 -0.004263 10H 1s -0.009143 -0.008602 -0.032830 0.013095 0.032513 0.008879 10H 2s -0.121142 -0.080879 -0.378238 0.202589 0.339847 0.160148 10H 3s 0.575500 0.228212 0.843763 -0.245419 -0.930193 -0.518364 10H 1pz -0.008936 -0.001357 -0.003308 0.006359 0.012398 0.000348 10H 1px 0.008251 0.003761 0.017615 -0.007166 -0.014492 -0.011129 10H 1py 0.002297 0.004891 -0.012205 0.001126 0.004379 0.012629 11H 1s -0.035086 0.011862 0.024697 -0.001393 0.045186 -0.044726 11H 2s -0.427342 -0.089926 0.466473 0.028519 0.408454 -0.690145 11H 3s 1.037294 -0.164275 -0.888993 -0.017782 -1.229828 1.261740 11H 1pz -0.017761 -0.022005 0.011920 0.008924 0.008756 -0.021436 11H 1px -0.017396 -0.008678 0.013407 0.000883 0.012353 -0.018837 11H 1py 0.014186 -0.006133 -0.015562 0.003035 -0.013235 0.016695 12H 1s -0.009129 -0.018778 -0.058265 0.009978 0.034386 0.031968 12H 2s -0.156046 -0.145575 -0.689353 0.100900 0.269488 0.563710 12H 3s 0.769725 0.611302 1.391564 -0.284850 -0.886092 -1.213150 12H 1pz -0.003873 0.008082 0.011980 -0.003583 -0.006124 -0.004667 12H 1px -0.010348 -0.003555 -0.006465 0.000300 0.005492 0.006356 12H 1py -0.014749 -0.001029 -0.029408 0.002669 0.011037 0.031559 13H 1s 0.016163 -0.036478 0.006828 -0.026354 0.003431 -0.006019 13H 2s 0.078796 -0.428470 0.030057 -0.318561 0.022568 -0.034510 13H 3s -0.132560 1.449132 0.126311 0.703272 -0.138213 0.094673 13H 1pz -0.003919 -0.023534 -0.004217 -0.020078 0.005672 0.005158 13H 1px -0.005018 0.013928 0.000645 0.005553 -0.000463 0.004978 13H 1py 0.004145 0.008555 0.001403 -0.001721 0.003134 0.007349 14H 1s 0.035742 -0.045719 0.015337 -0.057910 0.008676 0.011449 14H 2s 0.274363 -0.565086 0.137068 -0.777997 0.213502 0.232608 14H 3s -0.902145 1.456867 -0.138165 1.559002 -0.422737 -0.353490 14H 1pz -0.000014 -0.020095 -0.002766 -0.024338 0.012362 0.009334 14H 1px 0.006244 -0.029135 0.003804 -0.028250 0.010915 0.005227 14H 1py 0.007302 -0.004531 0.003009 -0.011012 -0.003555 0.005197 15H 1s -0.001516 -0.016079 0.009980 0.039079 -0.003034 -0.066129 15H 2s 0.038902 -0.074474 0.158051 0.618782 -0.252957 -0.795884 15H 3s 0.218151 0.626872 -0.071906 -1.188982 0.227959 1.813269 15H 1pz 0.005774 0.006555 -0.001716 -0.024598 0.004392 0.029905 15H 1px 0.003315 -0.004012 0.004661 0.000012 -0.005045 -0.002775 15H 1py -0.012745 0.006871 -0.009279 -0.018005 0.020006 0.022598 16H 1s -0.019434 0.001115 -0.029068 0.000390 -0.008181 -0.007420 16H 2s -0.355297 -0.090446 -0.384754 -0.097302 -0.307856 -0.071970 16H 3s 0.481105 0.233725 0.311346 -0.013560 0.292880 -0.004195 16H 1pz -0.027780 -0.013912 -0.015593 -0.003667 -0.029026 0.000501 16H 1px 0.017001 0.008195 0.006789 0.007549 0.015583 -0.001025 16H 1py -0.002859 0.003552 -0.008226 -0.006782 -0.002825 -0.003271 17H 1s 0.024338 0.029764 -0.014150 -0.033162 0.016082 -0.013459 17H 2s 0.397729 0.348277 -0.297436 -0.401048 0.257804 -0.196631 17H 3s -0.417715 -0.432066 0.114731 0.350728 -0.357645 0.178990 17H 1pz -0.015097 -0.005591 0.002141 0.007485 -0.007559 0.002534 17H 1px -0.029356 -0.019013 0.015948 0.013902 -0.023582 0.010105 17H 1py 0.004092 0.003980 -0.013807 -0.010530 0.002590 -0.004933 18H 1s -0.022928 -0.028547 -0.013494 -0.032374 -0.021877 0.011653 18H 2s -0.367842 -0.327955 -0.280955 -0.384580 -0.342358 0.169093 18H 3s 0.401227 0.421722 0.089644 0.331411 0.411694 -0.160001 18H 1pz -0.014959 -0.005432 -0.002097 -0.007241 -0.009079 0.002307 18H 1px -0.027582 -0.018136 -0.013975 -0.012183 -0.027058 0.008856 18H 1py 0.002188 0.002902 0.013328 0.009997 0.005130 -0.003838 19H 1s 0.021264 0.000116 -0.028554 0.001027 0.004800 0.005776 19H 2s 0.380408 0.110458 -0.402078 -0.109176 0.248085 0.049802 19H 3s -0.497901 -0.242511 0.319376 -0.009940 -0.253986 0.014755 19H 1pz -0.028371 -0.014744 0.017777 0.005363 -0.026250 0.001188 19H 1px 0.017605 0.008657 -0.008197 -0.008597 0.013841 -0.001377 19H 1py -0.003958 0.002587 0.008587 0.006950 -0.001639 -0.002443 20H 1s -0.000168 0.015484 0.011485 0.038975 0.010591 0.065540 20H 2s -0.062116 0.063496 0.142387 0.583030 0.360246 0.779415 20H 3s -0.178592 -0.615171 -0.097771 -1.174219 -0.424148 -1.812291 20H 1pz 0.004891 0.006065 0.002112 0.024267 0.008306 0.029791 20H 1px 0.003440 -0.004067 -0.004012 0.000448 -0.005637 -0.002684 20H 1py -0.013480 0.006455 0.006590 0.014973 0.023133 0.022167 21H 1s -0.034417 0.047253 0.015479 -0.056650 -0.014144 -0.010480 21H 2s -0.254802 0.584900 0.158288 -0.741580 -0.291567 -0.226051 21H 3s 0.861474 -1.494844 -0.162330 1.496397 0.599078 0.290253 21H 1pz -0.000769 -0.020971 0.000961 0.022156 0.015485 0.008692 21H 1px 0.005491 -0.029669 -0.005377 0.025926 0.013585 0.004736 21H 1py 0.007069 -0.004859 -0.002086 0.011711 -0.002243 0.005014 22H 1s -0.015949 0.036935 0.007126 -0.024957 -0.005902 0.008009 22H 2s -0.075742 0.435164 0.033430 -0.299794 -0.057311 0.063042 22H 3s 0.124857 -1.456921 0.101557 0.633604 0.241708 -0.197665 22H 1pz -0.004450 -0.023967 0.003171 0.018249 0.008456 0.003781 22H 1px -0.005016 0.014084 -0.000718 -0.005256 -0.001287 0.006144 22H 1py 0.003975 0.008677 -0.001527 0.001688 0.003363 0.007990 23H 1s 0.010037 0.019153 -0.052137 0.015680 -0.041223 -0.030154 23H 2s 0.165600 0.150019 -0.638448 0.150394 -0.354151 -0.533951 23H 3s -0.766520 -0.605085 1.212013 -0.453624 1.046510 1.119313 23H 1pz -0.003719 0.008284 -0.011044 0.004632 -0.007542 -0.003992 23H 1px -0.010274 -0.003360 0.004979 -0.001313 0.006117 0.005818 23H 1py -0.015217 -0.001154 0.027145 -0.004832 0.014877 0.029850 24H 1s 0.035114 -0.012708 0.030611 0.004636 -0.040537 0.038841 24H 2s 0.422233 0.074977 0.521172 0.088674 -0.326283 0.613831 24H 3s -1.014778 0.203796 -1.045916 -0.178942 1.073621 -1.124348 24H 1pz -0.017171 -0.021084 -0.013825 -0.010941 0.005668 -0.019856 24H 1px -0.017456 -0.008157 -0.015676 -0.003003 0.010266 -0.017294 24H 1py 0.013676 -0.006609 0.017027 -0.001342 -0.010851 0.014428 25H 1s 0.010145 0.008125 -0.026773 0.017894 -0.034675 -0.008967 25H 2s 0.128606 0.076442 -0.312225 0.255869 -0.358427 -0.154702 25H 3s -0.593753 -0.210156 0.650829 -0.391654 1.001146 0.464943 25H 1pz -0.008772 -0.001200 0.001068 -0.008475 0.011791 0.000369 25H 1px 0.008372 0.003490 -0.014789 0.009506 -0.015741 -0.010515 25H 1py 0.002239 0.004679 0.011356 -0.001546 0.005763 0.011537 26O 1s -0.006183 -0.000581 -0.003384 0.000415 0.000853 -0.000431 26O 2s -0.013773 -0.000858 -0.007736 0.000238 0.001848 -0.001203 26O 3s -0.000148 -0.010277 0.003064 0.014077 0.000422 0.006078 26O 4s 0.152074 0.029691 0.112201 -0.084589 -0.081645 -0.001240 26O 5s -0.455360 0.168912 -0.506403 0.082098 0.800167 -0.231051 26O 1pz -0.031383 -0.027218 0.064470 0.017967 -0.032724 0.006422 26O 1px -0.027100 0.020290 -0.054471 0.011250 0.088560 -0.024999 26O 1py 0.019593 0.020480 -0.047380 -0.007257 0.016000 0.017725 26O 2pz -0.035986 -0.021573 0.075847 0.010423 -0.053403 0.038722 26O 2px -0.046668 -0.001868 -0.060884 0.020122 0.071364 -0.002183 26O 2py 0.048126 -0.005449 -0.050060 0.005419 0.000217 0.028696 26O 3pz 0.045677 -0.078453 0.036092 0.163447 0.021287 -0.135539 26O 3px 0.007065 -0.290954 0.296959 0.182938 -0.302507 0.168802 26O 3py -0.166830 -0.064894 0.170062 0.138102 -0.108177 0.031160 26O 1dz2 0.002535 0.002507 -0.000286 -0.001622 0.001453 -0.000881 26O 1dxz -0.000785 0.000659 -0.002224 -0.001561 0.001365 -0.000593 26O 1dyz -0.002035 -0.000801 0.000109 -0.001174 -0.000014 0.000182 26O 1dx2y2 -0.001741 -0.000871 -0.000140 0.000412 -0.001662 0.001640 26O 1dxy -0.005601 -0.005298 0.000828 0.001639 -0.001290 0.000153 26O 2dz2 -0.009431 -0.015800 0.010856 0.004465 -0.021285 0.002258 26O 2dxz -0.013360 -0.003771 0.005402 -0.006200 -0.004704 -0.002978 26O 2dyz -0.003040 0.002705 0.004305 0.006207 0.008873 0.002143 26O 2dx2y2 0.003510 0.015637 -0.013814 -0.005227 0.029427 -0.013806 26O 2dxy 0.001563 0.006661 -0.017858 -0.003521 0.022956 -0.001138 26O 1f0 -0.001249 -0.000297 0.000587 -0.000600 -0.000863 -0.000296 26O 1f+1 0.001444 0.001741 -0.000788 -0.000422 0.001440 -0.000647 26O 1f-1 0.000885 0.000584 0.000249 0.000000 -0.000203 0.000084 26O 1f+2 0.000147 0.000567 -0.000832 0.000343 0.001147 0.000093 26O 1f-2 0.000640 0.000050 -0.000153 0.000659 -0.000142 0.000296 26O 1f+3 -0.000128 0.000190 -0.000512 0.000384 0.000924 -0.000633 26O 1f-3 0.001327 0.001396 -0.001023 -0.000693 0.001850 -0.000567 27O 1s 0.003711 -0.004557 0.002836 0.000785 0.001114 0.001129 27O 2s 0.007862 -0.010232 0.006501 0.002623 0.002096 0.002725 27O 3s 0.008488 0.001687 -0.004985 -0.019700 0.007132 -0.003784 27O 4s -0.157693 0.145061 -0.083216 0.103713 -0.077045 -0.009469 27O 5s 0.304336 -0.854559 0.657578 -0.440499 0.123861 -0.159718 27O 1pz -0.059788 0.000417 -0.049711 -0.024987 -0.010474 0.017038 27O 1px 0.072279 -0.056023 0.030518 -0.073653 0.038304 -0.015735 27O 1py 0.000918 -0.031789 0.019622 -0.030884 0.012277 0.008688 27O 2pz -0.078188 -0.003413 -0.067937 -0.033823 -0.029092 0.023391 27O 2px 0.091241 -0.052896 -0.001195 -0.109455 0.043123 -0.006322 27O 2py 0.012035 -0.047866 0.054491 -0.029552 -0.001957 -0.005637 27O 3pz 0.042842 0.063479 0.143697 -0.000660 0.045270 -0.048584 27O 3px 0.131666 0.298714 -0.285584 0.067252 0.062687 -0.005686 27O 3py -0.040549 -0.055518 -0.106037 0.072048 0.070255 0.073119 27O 1dz2 -0.001190 0.001136 0.000018 0.000038 0.000597 0.000244 27O 1dxz 0.003536 0.001184 0.002997 0.001535 -0.000510 -0.000550 27O 1dyz -0.000474 0.000404 -0.000331 -0.001657 0.000396 -0.000263 27O 1dx2y2 0.003144 0.000231 -0.000753 -0.001050 0.000652 -0.000298 27O 1dxy -0.000048 0.001893 -0.001058 -0.000177 -0.000457 0.001348 27O 2dz2 -0.014437 0.008147 -0.010793 0.007478 -0.005647 0.006894 27O 2dxz -0.005949 -0.001273 -0.001381 0.000015 -0.003963 0.008360 27O 2dyz 0.001244 0.008788 0.004140 0.009659 -0.001880 -0.000328 27O 2dx2y2 0.008055 -0.023250 0.025519 -0.008319 0.005353 -0.000323 27O 2dxy 0.006859 0.009021 -0.006946 -0.007556 0.002062 0.004546 27O 1f0 -0.000802 -0.000855 -0.000204 0.000186 -0.000532 0.000408 27O 1f+1 0.000291 -0.000418 0.001303 0.000134 -0.000028 -0.000050 27O 1f-1 0.000534 0.000325 -0.000175 -0.000246 0.000591 -0.000276 27O 1f+2 0.002116 -0.000052 0.000767 -0.000248 0.000866 -0.000752 27O 1f-2 -0.000126 -0.001306 0.000014 -0.000346 -0.000169 -0.000043 27O 1f+3 -0.000551 -0.000609 0.001277 -0.000370 0.000426 -0.000030 27O 1f-3 0.000906 -0.000343 -0.000608 -0.001221 0.000350 0.000646 28O 1s -0.000574 0.001671 0.001679 0.001508 0.002098 -0.000471 28O 2s -0.001658 0.003651 0.004443 0.002990 0.003585 -0.000921 28O 3s 0.008276 0.000711 -0.015839 0.005029 0.020138 -0.001631 28O 4s -0.031769 -0.061844 0.050547 -0.093194 -0.179712 0.021708 28O 5s -0.256936 0.046648 -0.280566 0.702718 0.597276 -0.073536 28O 1pz 0.039165 0.010212 -0.037870 -0.010988 -0.000415 -0.000168 28O 1px -0.010715 -0.033066 0.050287 -0.043399 -0.081809 0.005433 28O 1py -0.039711 -0.017879 0.035507 -0.003518 -0.035753 0.032081 28O 2pz 0.075031 0.031371 -0.063727 -0.050287 -0.013666 0.009632 28O 2px -0.005816 -0.020032 0.070412 -0.037160 -0.103272 0.006382 28O 2py -0.064585 -0.044978 0.044873 -0.015296 -0.060486 0.055170 28O 3pz 0.015364 -0.117256 0.092346 -0.005465 0.114245 -0.089205 28O 3px -0.283806 -0.182265 -0.007633 0.307824 0.029648 -0.000861 28O 3py 0.192452 0.147512 -0.148130 0.082923 0.125583 -0.042738 28O 1dz2 -0.001317 0.000211 0.002582 0.001488 0.001792 -0.000937 28O 1dxz 0.000696 0.000117 0.000476 0.000770 -0.002079 0.000198 28O 1dyz -0.000091 -0.001150 -0.000521 0.000152 -0.000239 0.000192 28O 1dx2y2 0.000729 0.000274 -0.001285 -0.001179 0.000500 -0.000095 28O 1dxy -0.002184 0.000760 0.003029 -0.000663 -0.001040 -0.000184 28O 2dz2 -0.006074 -0.006442 0.005064 0.005196 -0.008714 0.006107 28O 2dxz 0.001461 -0.008495 0.005929 -0.015413 -0.011796 -0.001618 28O 2dyz -0.000574 0.003549 -0.003107 -0.004129 0.004246 -0.000760 28O 2dx2y2 -0.004259 -0.004906 -0.010411 0.016192 0.012109 0.001139 28O 2dxy 0.001597 0.008606 -0.007267 -0.004068 0.008274 -0.000982 28O 1f0 0.000230 0.000995 0.000111 0.000535 0.001029 -0.000426 28O 1f+1 -0.001061 -0.000528 0.000801 0.000509 -0.001258 0.000397 28O 1f-1 0.000383 0.000068 -0.000024 -0.000023 -0.000471 0.000210 28O 1f+2 -0.000369 -0.000094 0.000443 -0.001019 -0.000491 -0.000160 28O 1f-2 -0.000697 -0.000436 0.000816 -0.000230 -0.000781 0.000073 28O 1f+3 -0.000504 -0.000439 0.000780 -0.000752 -0.000982 0.000109 28O 1f-3 0.000445 -0.000045 0.000449 -0.000079 -0.000186 -0.000085 29O 1s -0.001423 0.006293 -0.011120 -0.008234 0.000379 -0.005179 29O 2s -0.003316 0.014268 -0.024880 -0.018352 0.000665 -0.011928 29O 3s 0.003392 -0.004735 0.001651 0.000266 0.002901 0.007010 29O 4s 0.026972 -0.146305 0.255471 0.194681 -0.036377 0.096360 29O 5s -0.037542 0.039720 0.063376 0.026693 0.114326 0.059846 29O 1pz -0.048721 -0.043778 -0.032607 0.029916 -0.007816 0.004996 29O 1px -0.008466 -0.040501 0.018790 0.034558 -0.009463 0.021319 29O 1py 0.013369 0.015719 0.023906 0.010317 0.027164 0.014654 29O 2pz -0.136938 -0.105213 -0.076738 0.065090 -0.048718 0.011691 29O 2px -0.016688 -0.094962 0.056582 0.085197 -0.022341 0.057897 29O 2py 0.038981 0.031469 0.054384 0.025508 0.057508 0.030673 29O 3pz -0.124326 -0.008059 0.075855 -0.024462 -0.220977 0.036818 29O 3px -0.171937 0.094126 -0.037314 -0.055264 -0.065409 -0.083849 29O 3py -0.030704 0.057565 -0.390136 -0.270538 -0.118750 -0.172914 29O 1dz2 -0.001771 -0.000050 -0.002293 -0.000440 -0.002002 -0.000547 29O 1dxz 0.002357 0.001403 -0.001414 -0.002266 0.001612 -0.000717 29O 1dyz -0.004998 -0.002448 -0.000242 0.001656 -0.004517 0.000806 29O 1dx2y2 0.000417 0.000282 0.000790 0.000143 0.000687 0.000260 29O 1dxy -0.002813 -0.001143 0.001185 0.001615 -0.001564 0.000880 29O 2dz2 0.018344 0.013958 -0.000548 -0.004024 0.019013 -0.004136 29O 2dxz -0.025973 -0.014406 -0.002239 0.000390 -0.019642 0.003375 29O 2dyz 0.015656 0.005218 0.003679 0.000194 0.013830 -0.002616 29O 2dx2y2 -0.011526 -0.009027 0.002717 0.004011 -0.010201 0.002139 29O 2dxy 0.004770 0.003309 -0.013618 -0.011013 0.004895 -0.004354 29O 1f0 -0.001093 -0.000177 -0.001958 -0.001045 -0.000993 -0.000483 29O 1f+1 -0.001553 -0.001296 0.000657 0.000861 -0.001154 0.000527 29O 1f-1 -0.001641 -0.000502 -0.002198 -0.001257 -0.001614 -0.000372 29O 1f+2 0.001288 0.000531 0.000806 0.000540 0.001193 0.000067 29O 1f-2 0.002480 0.001881 -0.001274 -0.001486 0.001839 -0.000787 29O 1f+3 -0.001165 -0.001001 0.000787 0.000742 -0.000845 0.000401 29O 1f-3 -0.001354 -0.000911 0.000565 0.000717 -0.000769 0.000432 30O 1s -0.001502 -0.005101 -0.002009 -0.003648 -0.000256 0.000961 30O 2s -0.002998 -0.011014 -0.005686 -0.008233 -0.000177 0.002564 30O 3s -0.007900 -0.006902 0.025922 0.002118 -0.008335 -0.007861 30O 4s 0.029376 0.180626 -0.057134 0.127609 0.010697 0.003289 30O 5s 0.392696 -0.590368 -0.163893 -0.600692 0.185157 -0.093823 30O 1pz 0.016969 0.003136 0.013886 -0.000852 0.026299 -0.009345 30O 1px -0.062761 0.056370 0.007302 0.080160 -0.026498 0.012499 30O 1py 0.044216 0.017537 -0.005881 -0.003213 0.013984 -0.007586 30O 2pz 0.031220 0.024275 0.034247 0.006187 0.022835 -0.013323 30O 2px -0.052151 0.085366 -0.020322 0.093918 -0.007401 0.019006 30O 2py 0.107263 0.022370 -0.019530 -0.013339 0.022871 -0.020888 30O 3pz -0.383416 -0.109152 0.308463 0.100369 -0.111264 0.002424 30O 3px 0.318539 -0.171836 -0.253354 -0.360703 0.110294 0.094736 30O 3py -0.042647 -0.082957 -0.391698 -0.259519 0.139741 0.169277 30O 1dz2 0.002190 -0.000179 -0.001170 -0.003014 0.000481 0.001383 30O 1dxz 0.003167 0.002921 -0.003352 0.000393 0.003104 -0.000210 30O 1dyz 0.002263 0.002258 -0.000276 -0.000321 0.002094 0.001186 30O 1dx2y2 -0.001013 0.000324 0.002368 0.000951 0.000060 0.000619 30O 1dxy -0.002571 -0.001636 0.003040 0.002047 -0.001833 -0.002285 30O 2dz2 -0.016636 0.002509 -0.007356 0.006081 -0.010478 0.002060 30O 2dxz -0.032003 0.001468 0.010084 0.017219 -0.012290 -0.000284 30O 2dyz -0.003640 0.007338 0.003182 0.001973 -0.008005 0.003241 30O 2dx2y2 0.013689 -0.008150 -0.002349 -0.012382 0.007387 -0.002045 30O 2dxy 0.010685 -0.005230 -0.020111 -0.016834 0.011560 0.000686 30O 1f0 0.001692 -0.000241 -0.000941 -0.001215 0.001031 0.000003 30O 1f+1 -0.000492 -0.000001 -0.000928 0.000184 -0.000669 0.000326 30O 1f-1 -0.000582 -0.000184 -0.000520 0.000597 -0.000083 -0.000340 30O 1f+2 -0.001090 -0.000266 -0.000515 0.000568 -0.000684 -0.000093 30O 1f-2 -0.001461 -0.000409 0.001336 0.000489 -0.000723 -0.000302 30O 1f+3 -0.000308 0.001006 -0.000834 0.000597 0.000077 0.000153 30O 1f-3 -0.001744 -0.000652 0.000486 0.000595 -0.001472 0.000393 31O 1s 0.001812 0.005233 -0.001773 -0.003354 -0.000321 -0.001104 31O 2s 0.003765 0.011326 -0.005085 -0.007524 -0.001255 -0.002902 31O 3s 0.006268 0.006464 0.024355 0.000995 0.011432 0.008519 31O 4s -0.032037 -0.183546 -0.060102 0.120887 -0.004284 -0.001437 31O 5s -0.364091 0.612553 -0.126721 -0.559647 -0.272859 0.080095 31O 1pz 0.018770 0.004214 -0.016008 -0.001699 0.025389 -0.012491 31O 1px -0.059643 0.059248 -0.002464 -0.075537 -0.036331 0.012755 31O 1py 0.042632 0.016712 0.006277 0.003622 0.015403 -0.007054 31O 2pz 0.034204 0.026060 -0.032658 -0.006555 0.019422 -0.018889 31O 2px -0.049702 0.088497 0.023574 -0.090536 -0.015541 0.020088 31O 2py 0.104241 0.020417 0.020285 0.014881 0.027703 -0.017354 31O 3pz -0.358301 -0.098392 -0.309060 -0.098103 -0.159842 -0.003060 31O 3px 0.289823 -0.190934 0.232654 0.343099 0.181964 0.119669 31O 3py -0.074381 -0.096438 0.360844 0.227805 0.212180 0.172780 31O 1dz2 -0.001980 0.000334 -0.001165 -0.003005 -0.000996 -0.001576 31O 1dxz -0.003003 -0.002857 -0.003062 0.000614 -0.003402 0.000076 31O 1dyz -0.002249 -0.002252 -0.000099 -0.000181 -0.002160 -0.001230 31O 1dx2y2 0.000840 -0.000414 0.002345 0.000953 0.000336 -0.000390 31O 1dxy 0.002332 0.001525 0.002874 0.001906 0.002463 0.002415 31O 2dz2 0.016841 -0.002493 -0.008298 0.005343 0.010465 -0.002435 31O 2dxz 0.030834 -0.002168 0.009148 0.016269 0.015650 0.000444 31O 2dyz 0.003763 -0.007289 0.001776 0.000560 0.008338 -0.003582 31O 2dx2y2 -0.013063 0.008740 -0.001197 -0.011243 -0.008733 0.001771 31O 2dxy -0.008998 0.006193 -0.018093 -0.014944 -0.015705 -0.001497 31O 1f0 0.001589 -0.000302 0.000822 0.001102 0.001276 0.000048 31O 1f+1 -0.000540 -0.000028 0.000992 -0.000125 -0.000583 0.000363 31O 1f-1 -0.000598 -0.000178 0.000484 -0.000621 -0.000121 -0.000326 31O 1f+2 -0.001100 -0.000241 0.000578 -0.000516 -0.000673 -0.000087 31O 1f-2 -0.001370 -0.000365 -0.001261 -0.000431 -0.000933 -0.000359 31O 1f+3 -0.000329 0.001018 0.000832 -0.000577 0.000127 0.000194 31O 1f-3 -0.001692 -0.000609 -0.000325 -0.000467 -0.001570 0.000357 32O 1s 0.002344 -0.005638 -0.010918 -0.008002 -0.002672 0.004334 32O 2s 0.005383 -0.012790 -0.024457 -0.017856 -0.005779 0.010021 32O 3s -0.003704 0.004430 0.002122 0.000618 -0.002861 -0.006633 32O 4s -0.047098 0.132303 0.246404 0.185882 0.090164 -0.077274 32O 5s 0.030307 -0.046124 0.080802 0.039896 -0.102298 -0.057923 32O 1pz -0.050747 -0.044468 0.030325 -0.032727 -0.008002 0.004901 32O 1px -0.006172 -0.038940 -0.018306 -0.034108 -0.015708 0.019324 32O 1py 0.015006 0.016329 -0.026496 -0.013708 0.022777 0.013936 32O 2pz -0.141342 -0.106927 0.074787 -0.068626 -0.048168 0.011681 32O 2px -0.009865 -0.090342 -0.055129 -0.083897 -0.038604 0.051934 32O 2py 0.042070 0.032454 -0.059167 -0.032472 0.046870 0.029061 32O 3pz -0.117282 -0.010875 -0.058454 0.042820 -0.226590 0.040305 32O 3px -0.176535 0.090497 0.037826 0.057855 -0.055914 -0.078793 32O 3py -0.070912 0.033266 0.400685 0.279475 -0.044761 -0.148273 32O 1dz2 0.001679 0.000053 -0.002428 -0.000625 0.001451 0.000450 32O 1dxz -0.002330 -0.001354 -0.001298 -0.002182 -0.002159 0.000612 32O 1dyz 0.005009 0.002466 -0.000674 0.001325 0.004722 -0.000774 32O 1dx2y2 -0.000622 -0.000395 0.000855 0.000147 -0.000700 -0.000218 32O 1dxy 0.002623 0.001015 0.001089 0.001455 0.001843 -0.000746 32O 2dz2 -0.016996 -0.013441 0.001016 -0.002747 -0.018527 0.003670 32O 2dxz 0.026258 0.014696 -0.003343 -0.000459 0.019720 -0.003349 32O 2dyz -0.015997 -0.005745 0.004882 0.001184 -0.013729 0.002846 32O 2dx2y2 0.011644 0.009246 0.002007 0.003398 0.011469 -0.002093 32O 2dxy -0.002690 -0.002133 -0.012954 -0.010350 -0.007138 0.003256 32O 1f0 -0.001170 -0.000278 0.001870 0.000996 -0.000580 -0.000340 32O 1f+1 -0.001509 -0.001292 -0.000653 -0.000868 -0.001374 0.000485 32O 1f-1 -0.001796 -0.000609 0.002369 0.001368 -0.001160 -0.000264 32O 1f+2 0.001355 0.000567 -0.001006 -0.000687 0.001017 0.000043 32O 1f-2 0.002349 0.001787 0.001088 0.001329 0.002165 -0.000656 32O 1f+3 -0.000993 -0.000892 -0.000682 -0.000629 -0.000946 0.000304 32O 1f-3 -0.001339 -0.000895 -0.000491 -0.000658 -0.000966 0.000385 33O 1s 0.000432 -0.001819 0.002155 0.001818 -0.001715 0.000805 33O 2s 0.001328 -0.004007 0.005386 0.003566 -0.002715 0.001727 33O 3s -0.007845 -0.000110 -0.013585 0.007185 -0.021008 0.000399 33O 4s 0.033161 0.063785 0.022643 -0.114649 0.172182 -0.025089 33O 5s 0.249050 -0.067693 -0.177055 0.788665 -0.533891 0.075816 33O 1pz 0.035794 0.008432 0.038960 0.012316 0.005397 0.001267 33O 1px -0.009704 -0.034722 -0.037480 0.053087 -0.082004 0.005647 33O 1py -0.037240 -0.016948 -0.031854 0.006139 -0.039631 0.030086 33O 2pz 0.069445 0.027179 0.067239 0.054403 0.000897 0.010840 33O 2px -0.004109 -0.021556 -0.053396 0.050497 -0.106527 0.005420 33O 2py -0.061384 -0.043800 -0.039885 0.018803 -0.064129 0.051575 33O 3pz 0.014738 -0.118161 -0.101030 -0.008584 0.095688 -0.071429 33O 3px -0.276220 -0.167280 -0.013255 -0.325443 -0.008495 -0.001343 33O 3py 0.185588 0.143127 0.146853 -0.083688 0.133752 -0.034227 33O 1dz2 0.001138 -0.000354 0.002814 0.001702 -0.001227 0.000855 33O 1dxz -0.000781 -0.000151 0.000118 0.000435 0.002164 -0.000016 33O 1dyz 0.000107 0.001154 -0.000517 0.000171 0.000151 -0.000093 33O 1dx2y2 -0.000662 -0.000197 -0.001188 -0.001096 -0.000809 0.000093 33O 1dxy 0.002036 -0.000812 0.002933 -0.000743 0.001364 0.000239 33O 2dz2 0.005421 0.006165 0.003951 0.004546 0.009785 -0.005118 33O 2dxz -0.001514 0.009178 0.004080 -0.016610 0.010477 0.001635 33O 2dyz 0.001199 -0.003248 -0.002485 -0.003549 -0.004776 0.000171 33O 2dx2y2 0.004257 0.004399 -0.008044 0.018037 -0.011404 -0.000718 33O 2dxy -0.001233 -0.008317 -0.006362 -0.003297 -0.009620 0.000479 33O 1f0 0.000235 0.001027 -0.000223 -0.000612 0.000932 -0.000372 33O 1f+1 -0.001006 -0.000492 -0.000633 -0.000388 -0.001405 0.000356 33O 1f-1 0.000369 0.000065 0.000134 0.000104 -0.000460 0.000221 33O 1f+2 -0.000363 -0.000136 -0.000388 0.001053 -0.000422 -0.000170 33O 1f-2 -0.000680 -0.000425 -0.000727 0.000297 -0.000856 0.000064 33O 1f+3 -0.000487 -0.000463 -0.000650 0.000843 -0.000991 0.000098 33O 1f-3 0.000455 -0.000041 -0.000396 0.000119 -0.000233 -0.000090 34O 1s -0.004016 0.004448 0.003032 0.000947 -0.000705 -0.000614 34O 2s -0.008602 0.009961 0.006909 0.002937 -0.001074 -0.001482 34O 3s -0.007093 -0.001060 -0.004496 -0.018801 -0.009818 0.001950 34O 4s 0.159636 -0.145898 -0.092749 0.092765 0.078088 0.003734 34O 5s -0.318796 0.858224 0.687216 -0.404076 -0.082480 0.169919 34O 1pz -0.063369 -0.002091 0.048764 0.023759 -0.001224 0.019431 34O 1px 0.070459 -0.058532 -0.035761 0.068505 0.041999 -0.018148 34O 1py 0.001354 -0.032500 -0.022500 0.027899 0.013667 0.009777 34O 2pz -0.082850 -0.006627 0.068716 0.033859 -0.015797 0.027023 34O 2px 0.086864 -0.056396 -0.004312 0.103404 0.055795 -0.007651 34O 2py 0.013699 -0.048625 -0.055787 0.028318 -0.004984 -0.002899 34O 3pz 0.045554 0.064074 -0.146017 -0.000655 0.022295 -0.049848 34O 3px 0.114766 0.294691 0.288047 -0.059430 0.091056 -0.003595 34O 3py -0.035220 -0.049294 0.093828 -0.084217 0.075482 0.055516 34O 1dz2 0.001172 -0.001125 0.000075 0.000100 -0.000571 -0.000328 34O 1dxz -0.003734 -0.001316 0.002691 0.001253 0.000999 0.000651 34O 1dyz 0.000587 -0.000299 -0.000244 -0.001567 -0.000598 0.000134 34O 1dx2y2 -0.003048 -0.000209 -0.000753 -0.001057 -0.000908 0.000381 34O 1dxy 0.000118 -0.001897 -0.001198 -0.000287 0.000262 -0.001333 34O 2dz2 0.014576 -0.008434 -0.011202 0.007020 0.005120 -0.007508 34O 2dxz 0.005965 0.001161 -0.002003 -0.000449 0.003545 -0.008372 34O 2dyz -0.002026 -0.009284 0.003563 0.009061 0.003350 0.000235 34O 2dx2y2 -0.009118 0.023100 0.026373 -0.007188 -0.002792 0.001461 34O 2dxy -0.006351 -0.008866 -0.007078 -0.007657 -0.004173 -0.005269 34O 1f0 -0.000795 -0.000841 0.000221 -0.000172 -0.000524 0.000430 34O 1f+1 0.000363 -0.000400 -0.001277 -0.000119 -0.000209 -0.000092 34O 1f-1 0.000520 0.000313 0.000106 0.000195 0.000630 -0.000258 34O 1f+2 0.002155 -0.000047 -0.000828 0.000202 0.000789 -0.000786 34O 1f-2 -0.000126 -0.001306 -0.000043 0.000312 -0.000132 -0.000055 34O 1f+3 -0.000503 -0.000625 -0.001364 0.000282 0.000270 -0.000061 34O 1f-3 0.000827 -0.000391 0.000577 0.001172 0.000577 0.000647 35O 1s 0.006269 0.000669 -0.002844 0.000879 -0.001156 0.000478 35O 2s 0.014001 0.001081 -0.006525 0.001282 -0.002619 0.001299 35O 3s -0.000505 0.009690 0.002903 0.013849 0.001411 -0.005776 35O 4s -0.152771 -0.029651 0.090424 -0.102133 0.084175 0.000459 35O 5s 0.471482 -0.164517 -0.363565 0.199859 -0.845073 0.205216 35O 1pz -0.026963 -0.025019 -0.060177 -0.015379 -0.042280 0.004565 35O 1px -0.028426 0.020713 0.039013 -0.023735 0.093620 -0.023404 35O 1py 0.017285 0.019686 0.046646 0.006122 0.023243 0.016116 35O 2pz -0.031086 -0.019562 -0.068846 -0.005333 -0.062939 0.034405 35O 2px -0.048161 -0.001174 0.046278 -0.031653 0.076424 -0.002467 35O 2py 0.045865 -0.005804 0.052689 -0.003815 0.006544 0.024092 35O 3pz 0.055134 -0.068084 -0.033045 -0.163429 -0.001064 -0.124030 35O 3px 0.031041 -0.273601 -0.243526 -0.143558 -0.352381 0.145234 35O 3py -0.152230 -0.054974 -0.157481 -0.128503 -0.144276 0.031796 35O 1dz2 -0.002434 -0.002394 -0.000205 -0.001585 -0.001620 0.000819 35O 1dxz 0.000951 -0.000564 -0.002065 -0.001390 -0.001781 0.000342 35O 1dyz 0.002036 0.000840 0.000172 -0.001085 -0.000112 -0.000170 35O 1dx2y2 0.001745 0.000818 -0.000367 0.000260 0.001673 -0.001518 35O 1dxy 0.005459 0.005186 0.000958 0.001804 0.001561 -0.000068 35O 2dz2 0.008973 0.015346 0.008102 0.002410 0.022921 -0.001819 35O 2dxz 0.013484 0.003963 0.005149 -0.006185 0.004755 0.002489 35O 2dyz 0.002409 -0.003211 0.005395 0.007248 -0.007666 -0.001683 35O 2dx2y2 -0.002486 -0.015336 -0.009439 -0.001841 -0.031269 0.012407 35O 2dxy -0.000894 -0.006383 -0.014260 -0.000492 -0.025608 0.000865 35O 1f0 -0.001256 -0.000318 -0.000501 0.000648 -0.000871 -0.000249 35O 1f+1 0.001383 0.001706 0.000663 0.000336 0.001570 -0.000529 35O 1f-1 0.000902 0.000605 -0.000170 0.000080 -0.000216 0.000070 35O 1f+2 0.000132 0.000572 0.000671 -0.000467 0.001208 0.000091 35O 1f-2 0.000664 0.000087 0.000196 -0.000603 -0.000186 0.000272 35O 1f+3 -0.000156 0.000198 0.000346 -0.000511 0.000915 -0.000557 35O 1f-3 0.001254 0.001346 0.000801 0.000523 0.002040 -0.000471 198 199 200 201 202 203 0.45776 0.46217 0.46579 0.48090 0.49634 0.49972 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s -0.001055 -0.000770 0.000502 -0.000967 0.002546 0.000655 0Rh 2s 0.003084 0.002464 -0.001247 0.003249 -0.006408 -0.003134 0Rh 3s -0.004236 -0.002960 0.002152 -0.003626 0.010871 0.001878 0Rh 4s -0.013313 -0.010774 0.005264 -0.014311 0.027179 0.014334 0Rh 5s 0.002881 0.004883 0.001262 0.008233 0.005422 -0.017946 0Rh 6s 0.057560 0.036276 -0.032040 0.040788 -0.162908 -0.001213 0Rh 7s -0.172606 -0.077512 0.172238 -0.157238 1.173375 -0.010566 0Rh 8s 0.085392 0.037324 0.046901 0.111928 -0.000401 -0.066618 0Rh 1pz -0.000483 0.000658 0.000792 0.001831 -0.001473 0.005415 0Rh 1px -0.002384 -0.001999 0.000478 0.000621 -0.000207 0.002359 0Rh 1py 0.009916 0.008314 -0.001639 0.000436 -0.007424 -0.001467 0Rh 2pz 0.001512 -0.002374 -0.002452 -0.006451 0.005308 -0.019084 0Rh 2px 0.008703 0.007290 -0.001663 -0.001882 0.000035 -0.008416 0Rh 2py -0.034355 -0.028962 0.005635 -0.001448 0.026011 0.005161 0Rh 3pz 0.001487 0.004241 -0.003020 0.008371 -0.009218 0.024708 0Rh 3px -0.017184 -0.014221 0.001837 -0.003264 0.013313 0.012934 0Rh 3py 0.034113 0.031801 -0.004787 0.000253 -0.031036 -0.006567 0Rh 4pz -0.012659 -0.005566 0.023167 -0.000993 0.010913 -0.001024 0Rh 4px 0.024742 0.020034 0.000562 0.021499 -0.055007 -0.009205 0Rh 4py 0.034234 0.016914 -0.008656 0.005981 -0.006097 0.000414 0Rh 5pz 0.019105 0.024000 -0.046189 0.021009 -0.049048 0.032455 0Rh 5px -0.079413 -0.064367 0.004168 -0.036878 0.146921 0.040200 0Rh 5py 0.028602 0.049171 0.003853 -0.007311 -0.074689 -0.014815 0Rh 6pz -0.027667 -0.255876 0.561912 -0.158789 0.851222 0.307858 0Rh 6px 0.495939 0.383941 -0.073451 0.183554 -2.502497 -0.333538 0Rh 6py -0.516931 -0.596538 -0.175092 0.068787 1.268036 0.125995 0Rh 1dz2 0.001432 0.009948 0.005994 -0.016712 -0.002247 0.006509 0Rh 1dxz 0.003016 0.003876 0.022704 -0.003761 0.002117 0.017263 0Rh 1dyz 0.001699 -0.000706 -0.003314 -0.003582 -0.005316 -0.009614 0Rh 1dx2y2 0.000397 0.004199 0.017604 -0.013357 -0.013802 0.014818 0Rh 1dxy -0.004681 -0.002377 -0.001888 -0.003091 0.023372 0.003009 0Rh 2dz2 -0.000124 -0.000777 0.000237 0.001638 0.000155 -0.001236 0Rh 2dxz 0.000028 0.000000 -0.001435 -0.000056 -0.000634 -0.000729 0Rh 2dyz -0.000209 -0.000717 -0.000093 0.000675 0.000373 0.001230 0Rh 2dx2y2 -0.000796 -0.000798 -0.001060 0.001018 0.001685 -0.001384 0Rh 2dxy 0.001357 0.000681 0.000231 0.000575 -0.002065 -0.000280 0Rh 3dz2 -0.002213 -0.015325 -0.012230 0.024535 0.003667 -0.007259 0Rh 3dxz -0.005741 -0.007227 -0.036637 0.007343 -0.001439 -0.029705 0Rh 3dyz -0.002341 0.004496 0.006633 0.003504 0.008451 0.012952 0Rh 3dx2y2 0.002498 -0.004553 -0.028536 0.020804 0.019044 -0.022273 0Rh 3dxy 0.003068 0.001671 0.002510 0.003304 -0.035440 -0.004605 0Rh 4dz2 -0.001954 -0.022921 -0.004582 0.043516 0.004109 -0.023277 0Rh 4dxz -0.002424 -0.004450 -0.044714 0.003563 -0.010784 -0.027412 0Rh 4dyz -0.003541 -0.012210 0.002872 0.020510 0.010030 0.029510 0Rh 4dx2y2 -0.011214 -0.016866 -0.034655 0.029899 0.037404 -0.034221 0Rh 4dxy 0.023762 0.010211 0.005079 0.013551 -0.052468 -0.006134 0Rh 5dz2 -0.027611 0.017452 -0.030957 -0.071865 0.001634 0.029488 0Rh 5dxz -0.035703 -0.024312 -0.032812 0.020379 0.022094 -0.081728 0Rh 5dyz -0.022747 0.119313 0.022336 -0.173463 0.020673 -0.068963 0Rh 5dx2y2 0.062318 0.058942 -0.022552 -0.012369 -0.008833 0.004330 0Rh 5dxy -0.059517 0.007087 -0.001632 -0.069485 -0.017448 -0.010813 0Rh 1f0 0.004938 0.006696 -0.002968 0.000770 -0.000333 -0.010523 0Rh 1f+1 0.000847 -0.000395 0.000310 -0.002097 0.000960 -0.007683 0Rh 1f-1 0.003352 0.007642 0.002434 0.001012 -0.001581 0.008619 0Rh 1f+2 0.003005 0.003803 -0.002882 0.000092 -0.000256 -0.006802 0Rh 1f-2 0.003764 0.000305 -0.002219 -0.000609 0.001226 0.000011 0Rh 1f+3 -0.001230 -0.000660 0.000482 -0.000347 -0.000638 0.004980 0Rh 1f-3 -0.006343 -0.002625 0.000519 -0.002156 0.001617 -0.001649 1Rh 1s -0.001122 -0.000768 -0.000399 -0.000994 -0.002630 0.000178 1Rh 2s 0.003275 0.002445 0.000905 0.003348 0.006841 -0.002031 1Rh 3s -0.004507 -0.002959 -0.001766 -0.003721 -0.011092 -0.000222 1Rh 4s -0.014137 -0.010684 -0.003759 -0.014755 -0.029170 0.009721 1Rh 5s 0.003038 0.004709 -0.002097 0.008587 -0.002716 -0.020249 1Rh 6s 0.061131 0.036526 0.027611 0.041629 0.162199 0.032104 1Rh 7s -0.191096 -0.081652 -0.157052 -0.152747 -1.159307 -0.255923 1Rh 8s 0.071432 0.033807 -0.059575 0.111073 0.007684 -0.038949 1Rh 1pz 0.000562 -0.000440 0.000682 -0.001803 0.000185 -0.005545 1Rh 1px 0.002361 0.002081 0.000330 -0.000597 0.000469 -0.002403 1Rh 1py -0.009979 -0.008490 -0.000886 -0.000304 -0.007595 0.000147 1Rh 2pz -0.001800 0.001607 -0.002081 0.006345 -0.000487 0.019569 1Rh 2px -0.008643 -0.007582 -0.001110 0.001803 -0.002333 0.008439 1Rh 2py 0.034565 0.029576 0.003020 0.000986 0.026615 -0.000529 1Rh 3pz -0.000957 -0.003218 -0.003209 -0.008133 -0.002595 -0.025936 1Rh 3px 0.017477 0.014660 0.000518 0.003275 0.016132 -0.010417 1Rh 3py -0.034181 -0.032471 -0.002087 0.000294 -0.031870 0.000919 1Rh 4pz 0.012012 0.005302 0.022091 0.000569 0.013852 0.003673 1Rh 4px -0.026225 -0.020351 0.002963 -0.021106 -0.054334 -0.001268 1Rh 4py -0.034956 -0.017272 -0.006410 -0.005874 -0.005827 -0.001045 1Rh 5pz -0.016574 -0.020994 -0.044917 -0.019634 -0.043444 -0.041705 1Rh 5px 0.083013 0.066157 -0.002184 0.035830 0.151028 -0.012396 1Rh 5py -0.027918 -0.050257 0.006364 0.008704 -0.076252 0.001095 1Rh 6pz -0.021378 0.214358 0.556908 0.144439 0.904265 -0.160559 1Rh 6px -0.556548 -0.411740 -0.037762 -0.159314 -2.512587 -0.147567 1Rh 6py 0.519637 0.608812 -0.205369 -0.093259 1.264684 0.075843 1Rh 1dz2 0.000161 0.009280 -0.006357 -0.016883 0.000120 0.006928 1Rh 1dxz 0.003076 0.004295 -0.022991 -0.003620 -0.005044 0.016595 1Rh 1dyz 0.001893 -0.000503 0.003279 -0.003532 0.007179 -0.008421 1Rh 1dx2y2 -0.000479 0.004198 -0.017633 -0.013431 0.010417 0.017288 1Rh 1dxy -0.004030 -0.002506 0.002077 -0.002612 -0.023439 -0.001222 1Rh 2dz2 -0.000087 -0.000731 -0.000221 0.001628 0.000244 -0.001241 1Rh 2dxz 0.000004 -0.000036 0.001476 -0.000070 0.000645 -0.000606 1Rh 2dyz -0.000182 -0.000719 0.000105 0.000667 -0.000608 0.001129 1Rh 2dx2y2 -0.000747 -0.000821 0.001114 0.001072 -0.001405 -0.001668 1Rh 2dxy 0.001295 0.000693 -0.000333 0.000525 0.002089 0.000080 1Rh 3dz2 0.000011 -0.014266 0.012841 0.024902 -0.001293 -0.008042 1Rh 3dxz -0.005757 -0.007865 0.037006 0.007139 0.006946 -0.028944 1Rh 3dyz -0.002821 0.004127 -0.006619 0.003448 -0.010980 0.011129 1Rh 3dx2y2 0.003928 -0.004455 0.028373 0.020716 -0.013807 -0.025755 1Rh 3dxy 0.002112 0.001865 -0.002438 0.002611 0.035482 0.001873 1Rh 4dz2 0.000016 -0.021547 0.005173 0.043535 0.003585 -0.023726 1Rh 4dxz -0.002766 -0.005351 0.045557 0.003182 0.013854 -0.025012 1Rh 4dyz -0.003424 -0.012488 -0.002652 0.020289 -0.015567 0.026906 1Rh 4dx2y2 -0.009467 -0.017153 0.035438 0.030703 -0.030077 -0.040782 1Rh 4dxy 0.022178 0.010489 -0.006666 0.012378 0.052758 0.003167 1Rh 5dz2 -0.023020 0.018461 0.032846 -0.069819 -0.015042 0.027316 1Rh 5dxz -0.035362 -0.025262 0.032527 0.020713 -0.000327 -0.085331 1Rh 5dyz -0.025210 0.118571 -0.022709 -0.172273 -0.011330 -0.070594 1Rh 5dx2y2 0.062101 0.059869 0.018299 -0.014850 0.011205 0.007203 1Rh 5dxy -0.058781 0.007508 0.006983 -0.069325 0.016807 -0.006311 1Rh 1f0 -0.005133 -0.006881 -0.002426 -0.000676 -0.002410 0.010295 1Rh 1f+1 -0.000843 0.000374 0.000456 0.002062 -0.000729 0.007682 1Rh 1f-1 -0.003516 -0.007662 0.002729 -0.000952 0.000161 -0.008816 1Rh 1f+2 -0.002987 -0.003894 -0.002605 -0.000092 -0.001564 0.006853 1Rh 1f-2 -0.003790 -0.000301 -0.001955 0.000478 0.001133 -0.000071 1Rh 1f+3 0.001107 0.000685 0.000383 0.000335 0.000296 -0.004920 1Rh 1f-3 0.006339 0.002607 0.000049 0.002133 0.001412 0.002095 2C 1s 0.012447 -0.017107 -0.001836 -0.012561 0.004639 -0.004303 2C 2s 0.027021 -0.035964 -0.004044 -0.025644 0.010677 -0.008889 2C 3s -0.008156 -0.047616 -0.013130 -0.031253 -0.019486 -0.018644 2C 4s -0.399858 0.965749 0.159188 0.861545 -0.018291 0.363728 2C 5s 2.749583 -1.961133 0.529658 -9.786164 1.655188 -3.725781 2C 1pz 0.094293 -0.037064 -0.049024 0.021590 0.052001 -0.041659 2C 1px 0.037536 -0.023835 -0.035127 0.005774 0.010063 0.070662 2C 1py -0.114278 -0.009210 0.118126 -0.015583 -0.029806 0.037223 2C 2pz 0.455040 -0.132079 -0.165168 -0.026828 0.285151 -0.174174 2C 2px 0.164265 -0.108368 -0.141778 0.017264 0.075099 0.224546 2C 2py -0.382175 -0.028378 0.470325 -0.165935 -0.056792 0.123882 2C 3pz 0.137669 0.063575 0.760674 -1.908793 0.039206 -0.221535 2C 3px -0.168519 0.343685 0.234608 -0.964234 -0.049215 -0.851856 2C 3py 1.337733 -0.012798 -0.823978 -1.069182 0.518549 -0.662050 2C 1dz2 0.002830 0.002201 -0.003153 -0.002151 0.001206 -0.002396 2C 1dxz 0.005079 -0.000528 -0.002603 -0.001807 -0.002647 0.001326 2C 1dyz -0.001964 0.003187 0.002245 -0.002239 0.002446 -0.000853 2C 1dx2y2 0.003755 -0.000554 -0.001775 0.002782 0.000906 -0.000211 2C 1dxy -0.003785 0.000710 0.003249 0.000120 -0.001795 0.000687 2C 2dz2 0.011037 -0.002173 -0.000736 -0.059974 -0.009598 0.062131 2C 2dxz -0.006043 -0.015278 0.013283 0.009532 0.038031 -0.075672 2C 2dyz 0.048784 -0.027462 -0.006182 -0.056143 0.043304 -0.041190 2C 2dx2y2 -0.034874 -0.003008 -0.006793 -0.006359 -0.019582 -0.034358 2C 2dxy 0.033097 -0.025710 0.018554 -0.021289 0.007892 -0.027788 2C 1f0 -0.010524 0.003739 0.005934 -0.000240 -0.003465 0.007316 2C 1f+1 0.006267 -0.001215 -0.005309 0.000810 0.004469 -0.002997 2C 1f-1 0.002769 0.002867 0.000305 0.000308 0.001207 -0.000676 2C 1f+2 0.000060 -0.006801 -0.000007 -0.001586 0.001876 -0.007178 2C 1f-2 -0.008581 0.008651 0.006357 0.002520 -0.001546 -0.001477 2C 1f+3 -0.002459 -0.008425 0.004775 -0.005878 0.000869 -0.001099 2C 1f-3 0.005118 -0.002719 -0.003517 -0.001393 0.000693 0.004360 3C 1s -0.012830 0.020213 0.002013 0.012335 0.000423 -0.000007 3C 2s -0.026501 0.043576 0.004412 0.025351 0.001542 -0.000510 3C 3s -0.037270 0.023083 -0.004189 0.012047 0.016639 0.014791 3C 4s 0.782016 -0.896415 -0.046452 -0.703003 -0.128721 -0.094618 3C 5s -3.329843 2.395554 0.668894 10.839522 -3.449450 0.972741 3C 1pz -0.048320 -0.094369 -0.102875 0.013391 -0.026867 -0.041251 3C 1px 0.030041 0.000737 -0.022717 -0.023405 -0.027875 0.075038 3C 1py 0.009448 -0.108879 -0.079400 0.008529 -0.004443 0.009339 3C 2pz -0.216487 -0.355284 -0.403640 0.185154 -0.176941 -0.177080 3C 2px 0.114683 0.034182 -0.066288 -0.024006 -0.112631 0.267574 3C 2py 0.052838 -0.469977 -0.318625 -0.118161 0.053195 0.027046 3C 3pz 0.073118 1.111264 0.991453 0.905313 -0.610880 0.328455 3C 3px -0.363595 -0.047981 0.390445 1.374924 -0.163088 -0.182331 3C 3py 0.392956 0.354443 0.415357 -2.468887 1.043789 -0.149851 3C 1dz2 -0.000932 -0.000174 -0.000659 -0.000499 0.002420 -0.000569 3C 1dxz 0.000445 -0.003673 -0.001799 0.001813 -0.002221 0.003428 3C 1dyz -0.000362 0.005684 0.002517 -0.002385 0.001103 0.000587 3C 1dx2y2 -0.001753 -0.003062 -0.004320 -0.004076 -0.000166 -0.000745 3C 1dxy -0.000631 -0.000468 -0.000099 -0.002729 0.002272 0.000882 3C 2dz2 0.030907 -0.016702 0.015139 -0.039041 0.010136 0.063916 3C 2dxz -0.014045 0.031763 -0.009037 0.017680 -0.006718 -0.043984 3C 2dyz 0.008007 -0.042345 -0.026887 -0.065855 0.010670 -0.046131 3C 2dx2y2 0.013548 0.015473 0.007916 -0.038010 0.058094 -0.067038 3C 2dxy 0.019323 -0.045760 -0.002756 -0.039481 -0.011893 0.081748 3C 1f0 0.005613 0.003308 0.008017 -0.004080 0.001846 0.002546 3C 1f+1 0.004228 0.000630 0.002127 -0.001553 -0.001649 0.005550 3C 1f-1 0.002338 -0.012216 -0.006178 -0.001924 -0.001689 -0.000294 3C 1f+2 -0.005759 0.012340 0.000262 0.001175 0.004498 -0.000230 3C 1f-2 -0.005991 0.005748 -0.000144 0.000583 0.003244 0.000404 3C 1f+3 0.000283 0.007507 0.006430 0.001522 0.001101 -0.004080 3C 1f-3 -0.002083 -0.001922 -0.002102 0.000464 0.001467 -0.010621 4C 1s -0.009504 0.015094 0.000437 0.013458 0.005440 0.001747 4C 2s -0.020617 0.033229 0.000722 0.029809 0.011886 0.003747 4C 3s 0.054520 -0.043108 0.048141 0.007367 0.014746 0.032270 4C 4s 0.070749 -0.371114 -0.409134 -1.071423 -0.382522 -0.392773 4C 5s -2.521841 1.258270 -0.638909 5.128148 0.089316 1.647015 4C 1pz -0.027280 -0.032409 0.036466 0.057599 -0.044138 0.026011 4C 1px 0.007428 -0.032667 0.032365 0.028763 0.006401 -0.070827 4C 1py 0.021505 -0.028798 -0.018285 0.013653 0.028706 0.022053 4C 2pz -0.032874 -0.037494 -0.004954 -0.032197 -0.231916 0.093870 4C 2px -0.138505 -0.098229 -0.072297 0.013752 0.444255 -0.432778 4C 2py -0.051937 -0.064884 -0.104317 -0.033774 0.063044 -0.069953 4C 3pz 1.025544 0.714770 0.361766 -4.616854 1.322395 -1.532738 4C 3px 0.073304 -0.025593 0.021221 -0.624682 0.265770 -0.130350 4C 3py 0.576545 0.354240 0.394889 -2.768226 0.806954 -1.282226 4C 1dz2 0.001459 -0.002464 0.011369 -0.000513 -0.000000 0.003697 4C 1dxz -0.004587 0.000396 0.004566 0.001694 0.009111 0.000978 4C 1dyz 0.006123 -0.002965 -0.001119 -0.004382 0.002274 -0.002109 4C 1dx2y2 -0.007088 0.002116 -0.003806 -0.007281 -0.008851 -0.002337 4C 1dxy 0.001709 0.002037 -0.004667 -0.005004 0.001074 -0.001514 4C 2dz2 -0.053841 0.021639 0.007778 0.018940 -0.091756 0.039900 4C 2dxz -0.063781 -0.033576 -0.002065 0.048631 0.100466 -0.081358 4C 2dyz -0.066177 0.015754 -0.036687 -0.039522 -0.098942 -0.018727 4C 2dx2y2 -0.034167 0.008993 0.012047 -0.064908 0.088924 -0.035743 4C 2dxy -0.092729 0.036889 -0.074026 -0.052440 0.081323 -0.146142 4C 1f0 0.003324 0.000568 -0.000007 0.003297 0.003312 -0.003894 4C 1f+1 0.003132 -0.002675 0.007815 0.005369 0.001700 0.006648 4C 1f-1 0.003597 0.001389 0.004042 -0.005046 -0.000807 0.003638 4C 1f+2 -0.000103 0.000141 -0.001902 -0.001757 -0.009061 0.003272 4C 1f-2 -0.001101 0.000319 -0.002963 -0.002397 0.007267 -0.004340 4C 1f+3 0.002196 0.001138 -0.000634 -0.000719 -0.006690 0.002296 4C 1f-3 0.005596 0.000298 0.006347 0.005002 -0.005977 0.009291 5C 1s 0.014685 -0.011232 0.000188 -0.012855 -0.001936 0.001429 5C 2s 0.032467 -0.024458 0.000721 -0.028046 -0.004729 0.003436 5C 3s -0.025808 0.073667 0.032258 -0.005552 0.007455 -0.056147 5C 4s -0.558366 -0.060020 -0.249771 1.005541 -0.016084 0.432114 5C 5s 2.007087 -1.931123 -0.475567 -6.494692 1.784937 0.144186 5C 1pz -0.021013 0.018666 0.023341 -0.023075 0.019942 0.004172 5C 1px -0.031874 0.017062 0.000334 -0.010846 0.029897 -0.114509 5C 1py 0.015163 -0.002514 0.016064 0.083941 -0.004257 -0.012403 5C 2pz -0.141529 -0.073642 -0.081940 -0.018229 -0.097018 0.128769 5C 2px 0.132685 0.154941 0.098972 0.012143 0.411188 -0.342963 5C 2py 0.111269 0.114070 0.137464 0.026824 -0.004264 -0.117695 5C 3pz -0.224052 -0.189959 0.156623 3.127430 -1.247797 0.577331 5C 3px 0.072989 0.272514 0.082479 1.709987 -0.938906 0.170442 5C 3py 0.537583 0.170887 -0.455753 -5.395832 2.440691 -0.531029 5C 1dz2 0.000695 0.003185 0.005521 -0.006169 -0.001917 -0.001487 5C 1dxz 0.001307 0.006421 0.006110 -0.001938 -0.002612 -0.002824 5C 1dyz 0.002775 -0.005244 -0.001877 -0.007938 0.003926 -0.001652 5C 1dx2y2 0.003853 -0.000708 0.000992 0.001500 0.012604 0.006621 5C 1dxy -0.000838 -0.000709 -0.004697 -0.001905 0.002534 -0.003258 5C 2dz2 -0.030409 0.078648 0.005754 -0.032400 -0.047680 -0.069742 5C 2dxz 0.058468 0.059356 0.072956 -0.049204 0.062829 -0.008903 5C 2dyz 0.030038 0.111833 0.061260 -0.021264 -0.002832 -0.051446 5C 2dx2y2 0.032966 0.041918 0.016345 0.082763 -0.065968 0.000945 5C 2dxy -0.056063 -0.040207 -0.000866 0.041368 -0.169217 0.125443 5C 1f0 0.002907 0.004455 0.001696 -0.005789 0.007310 -0.008866 5C 1f+1 -0.001743 0.001137 0.003331 -0.002667 -0.004120 -0.000390 5C 1f-1 0.003876 0.002651 0.003676 -0.000797 0.003552 0.002466 5C 1f+2 -0.000360 -0.000529 -0.002151 -0.004381 -0.001767 0.004031 5C 1f-2 -0.006508 -0.007438 -0.008420 0.000595 -0.004892 0.005023 5C 1f+3 -0.001326 0.002727 0.000113 -0.001024 -0.004083 -0.004390 5C 1f-3 0.000538 -0.005439 -0.005264 0.004067 0.001942 0.005946 6C 1s 0.013628 -0.010960 -0.000699 -0.012953 0.001504 0.001611 6C 2s 0.030202 -0.023878 -0.001874 -0.028283 0.003714 0.003931 6C 3s -0.024778 0.073046 -0.032838 -0.004161 0.005788 -0.056198 6C 4s -0.511237 -0.064718 0.286713 1.001288 -0.071854 0.438665 6C 5s 1.753426 -1.937620 0.444698 -6.506816 -1.866911 -0.253899 6C 1pz 0.020320 -0.018752 0.023344 0.022057 0.018458 -0.001737 6C 1px 0.030581 -0.017527 -0.000775 0.011893 0.012224 0.123383 6C 1py -0.018127 0.001161 0.016768 -0.083993 -0.007264 0.011285 6C 2pz 0.140204 0.073692 -0.092055 0.018407 -0.066273 -0.149397 6C 2px -0.130727 -0.155211 0.116656 -0.012847 0.325687 0.438222 6C 2py -0.113461 -0.115423 0.148398 -0.029172 -0.034643 0.116084 6C 3pz 0.151325 0.146400 0.138114 -3.112085 -1.140537 -0.808881 6C 3px -0.128516 -0.303146 0.103747 -1.704113 -0.917431 -0.353431 6C 3py -0.414335 -0.096804 -0.433538 5.378376 2.364534 0.977794 6C 1dz2 0.000692 0.003229 -0.005605 -0.006194 0.001968 -0.001167 6C 1dxz 0.001488 0.006619 -0.006419 -0.001964 0.003260 -0.002415 6C 1dyz 0.002175 -0.005214 0.001712 -0.007855 -0.003386 -0.002428 6C 1dx2y2 0.003877 -0.001035 -0.001086 0.001679 -0.013515 0.004526 6C 1dxy -0.000672 -0.000783 0.004849 -0.001905 -0.002371 -0.003636 6C 2dz2 -0.027046 0.076770 -0.005451 -0.032412 0.059040 -0.057254 6C 2dxz 0.050664 0.054602 -0.078906 -0.047569 -0.052991 -0.020704 6C 2dyz 0.034376 0.112865 -0.066853 -0.021266 0.017162 -0.053444 6C 2dx2y2 0.035371 0.044339 -0.019875 0.080216 0.069305 0.005703 6C 2dxy -0.055937 -0.038934 0.008928 0.039268 0.134459 0.158576 6C 1f0 -0.002940 -0.004378 0.002113 0.005672 0.005070 0.010303 6C 1f+1 0.001916 -0.001033 0.003209 0.002596 -0.003879 -0.000818 6C 1f-1 -0.003801 -0.002569 0.003908 0.000785 0.003847 -0.001720 6C 1f+2 0.000522 0.000624 -0.002225 0.004367 -0.000767 -0.004527 6C 1f-2 0.006226 0.007387 -0.009163 -0.000484 -0.002926 -0.006125 6C 1f+3 0.001189 -0.002770 0.000072 0.000945 -0.004894 0.003220 6C 1f-3 -0.000688 0.005356 -0.005467 -0.003979 0.003164 -0.005429 7C 1s -0.009423 0.015046 -0.000142 0.013365 -0.005307 0.001066 7C 2s -0.020419 0.033129 -0.000101 0.029596 -0.011561 0.002277 7C 3s 0.054688 -0.042284 -0.049172 0.009149 -0.023005 0.027218 7C 4s 0.069230 -0.371963 0.399645 -1.079382 0.447329 -0.319179 7C 5s -2.572679 1.201046 0.796964 5.078426 -0.249473 1.713021 7C 1pz 0.026405 0.033301 0.034305 -0.056578 -0.040111 -0.034497 7C 1px -0.007096 0.034128 0.031521 -0.030097 -0.000245 0.073328 7C 1py -0.019802 0.028703 -0.019103 -0.014583 0.034441 -0.014991 7C 2pz 0.029599 0.040858 -0.007679 0.037868 -0.209926 -0.133816 7C 2px 0.146781 0.106659 -0.079789 -0.024748 0.349594 0.499972 7C 2py 0.065308 0.064456 -0.108114 0.033715 0.045425 0.081179 7C 3pz -1.084240 -0.782193 0.462821 4.572111 1.104003 1.765371 7C 3px -0.083195 0.007365 0.030828 0.613819 0.232838 0.181940 7C 3py -0.654365 -0.381689 0.455542 2.747357 0.612380 1.412352 7C 1dz2 0.001298 -0.002499 -0.011462 -0.000393 -0.001022 0.003446 7C 1dxz -0.004849 0.000405 -0.004522 0.001898 -0.008842 -0.000195 7C 1dyz 0.006583 -0.002761 0.000814 -0.004319 -0.001843 -0.002418 7C 1dx2y2 -0.007886 0.001813 0.003842 -0.007481 0.009374 -0.000743 7C 1dxy 0.001659 0.001999 0.004551 -0.005047 -0.000516 -0.001340 7C 2dz2 -0.057384 0.017959 -0.006881 0.017259 0.076701 0.051525 7C 2dxz -0.067394 -0.037136 0.006747 0.051586 -0.078506 -0.097427 7C 2dyz -0.068042 0.014922 0.041996 -0.041922 0.097099 -0.004157 7C 2dx2y2 -0.033590 0.007292 -0.010693 -0.064231 -0.079085 -0.046374 7C 2dxy -0.095508 0.035953 0.074027 -0.050789 -0.045075 -0.156981 7C 1f0 -0.003722 -0.000566 0.000112 -0.003452 0.002623 0.004522 7C 1f+1 -0.003149 0.002613 0.007743 -0.005503 0.003023 -0.006159 7C 1f-1 -0.003746 -0.001515 0.004158 0.005047 0.000270 -0.003613 7C 1f+2 -0.000134 -0.000052 -0.001932 0.002036 -0.008178 -0.004849 7C 1f-2 0.000906 -0.000283 -0.002912 0.002210 0.005863 0.005268 7C 1f+3 -0.002360 -0.001304 -0.000438 0.000935 -0.006001 -0.003230 7C 1f-3 -0.005876 -0.000454 0.006538 -0.004967 -0.003444 -0.009796 8C 1s -0.011362 0.019949 -0.001859 0.012488 -0.000313 -0.000075 8C 2s -0.023371 0.043017 -0.004150 0.025683 -0.001194 -0.000814 8C 3s -0.035534 0.021684 0.005654 0.012703 -0.019707 0.012757 8C 4s 0.713705 -0.877542 0.029043 -0.714465 0.141803 -0.080871 8C 5s -2.940629 2.455665 -0.583905 10.845558 3.316997 1.654229 8C 1pz 0.051446 0.092549 -0.105651 -0.012993 -0.033804 0.038845 8C 1px -0.029551 -0.001045 -0.021990 0.023640 -0.017220 -0.082032 8C 1py -0.005212 0.107484 -0.080768 -0.008348 -0.004197 -0.010562 8C 2pz 0.225969 0.346078 -0.414039 -0.182301 -0.208390 0.155239 8C 2px -0.115176 -0.036194 -0.062551 0.025705 -0.077100 -0.292258 8C 2py -0.028974 0.467816 -0.324468 0.118202 0.053256 -0.021297 8C 3pz -0.141197 -1.107319 1.010762 -0.904489 -0.554992 -0.462193 8C 3px 0.346088 0.048663 0.372607 -1.386388 -0.186536 0.162874 8C 3py -0.331445 -0.318282 0.436181 2.456112 1.034790 0.355953 8C 1dz2 -0.000842 -0.000171 0.000698 -0.000454 -0.002255 -0.000957 8C 1dxz 0.000284 -0.003693 0.001969 0.001824 0.001593 0.003903 8C 1dyz -0.000137 0.005470 -0.002480 -0.002359 -0.001262 0.000504 8C 1dx2y2 -0.001845 -0.002981 0.004417 -0.004060 0.000168 -0.000808 8C 1dxy -0.000833 -0.000570 0.000111 -0.002704 -0.002324 0.000398 8C 2dz2 0.029235 -0.016684 -0.015081 -0.039018 -0.023007 0.063015 8C 2dxz -0.010422 0.032827 0.008588 0.017701 0.013917 -0.043957 8C 2dyz 0.004214 -0.041797 0.025806 -0.065881 -0.002927 -0.048769 8C 2dx2y2 0.012859 0.014346 -0.009297 -0.037751 -0.046756 -0.078077 8C 2dxy 0.017083 -0.046041 0.004541 -0.039087 -0.002768 0.086203 8C 1f0 -0.005663 -0.003142 0.008202 0.004116 0.002431 -0.002480 8C 1f+1 -0.004035 -0.000684 0.002034 0.001493 -0.000727 -0.005998 8C 1f-1 -0.001728 0.011958 -0.006265 0.001968 -0.001775 0.000119 8C 1f+2 0.005036 -0.011934 0.000214 -0.001299 0.004291 0.001164 8C 1f-2 0.005654 -0.005853 -0.000135 -0.000733 0.003516 0.000152 8C 1f+3 -0.000648 -0.007589 0.006658 -0.001498 0.000501 0.004295 8C 1f-3 0.002246 0.001682 -0.001900 -0.000477 -0.000366 0.011155 9C 1s 0.012197 -0.016844 0.001137 -0.012525 -0.003761 -0.005079 9C 2s 0.026461 -0.035393 0.002538 -0.025560 -0.008809 -0.010673 9C 3s -0.009150 -0.047968 0.013201 -0.031969 0.022171 -0.015166 9C 4s -0.382885 0.957066 -0.133021 0.864891 -0.040574 0.370899 9C 5s 2.820729 -1.845131 -0.757258 -9.726373 -1.131325 -4.064293 9C 1pz -0.103010 0.034690 -0.047582 -0.021658 0.045329 0.050978 9C 1px -0.043108 0.022008 -0.035645 -0.005786 0.015950 -0.072515 9C 1py 0.127079 0.012546 0.116584 0.015231 -0.022964 -0.043425 9C 2pz -0.489869 0.120074 -0.153979 0.023931 0.255106 0.224275 9C 2px -0.186576 0.101441 -0.142737 -0.018395 0.088002 -0.226116 9C 2py 0.431859 0.039406 0.468713 0.162728 -0.033857 -0.136834 9C 3pz -0.115889 -0.065010 0.800664 1.874782 0.026849 0.225430 9C 3px 0.200984 -0.332238 0.257876 0.959978 -0.138161 0.860900 9C 3py -1.448400 -0.045774 -0.771680 1.079899 0.406367 0.772578 9C 1dz2 0.003207 0.002369 0.003038 -0.002103 -0.000739 -0.002556 9C 1dxz 0.005593 -0.000364 0.002541 -0.001836 0.002279 0.001706 9C 1dyz -0.001980 0.003132 -0.002142 -0.002179 -0.002359 -0.001314 9C 1dx2y2 0.004242 -0.000451 0.001904 0.002815 -0.000971 -0.000392 9C 1dxy -0.004050 0.000627 -0.003202 0.000124 0.001617 0.000888 9C 2dz2 0.006781 0.000084 -0.001449 -0.059995 0.000007 0.065371 9C 2dxz -0.009398 -0.014725 -0.013623 0.010622 -0.025072 -0.084989 9C 2dyz 0.050933 -0.026921 0.003403 -0.055249 -0.034443 -0.047516 9C 2dx2y2 -0.039214 -0.002426 0.007773 -0.005824 0.024525 -0.032803 9C 2dxy 0.033388 -0.026110 -0.018721 -0.020792 -0.006143 -0.033722 9C 1f0 0.011639 -0.003572 0.005900 0.000266 -0.002457 -0.008136 9C 1f+1 -0.006831 0.000987 -0.005139 -0.000856 0.003561 0.003374 9C 1f-1 -0.003184 -0.002788 0.000254 -0.000363 0.001329 0.001050 9C 1f+2 0.000107 0.007183 -0.000091 0.001685 0.000866 0.007721 9C 1f-2 0.008853 -0.008309 0.005992 -0.002600 -0.001503 0.001639 9C 1f+3 0.003792 0.008329 0.005077 0.005780 0.000542 0.001375 9C 1f-3 -0.005459 0.002904 -0.003241 0.001686 0.001118 -0.004579 10H 1s 0.013150 -0.015369 0.007294 -0.001633 0.018994 -0.015490 10H 2s 0.121666 -0.187389 0.093896 0.088104 0.206776 -0.272944 10H 3s 0.000256 0.316555 -0.050079 1.368125 -0.248558 1.353298 10H 1pz 0.006372 -0.007054 -0.001160 -0.001797 0.001064 -0.010351 10H 1px -0.001156 0.007445 -0.004677 0.005309 -0.008355 0.013931 10H 1py -0.008260 -0.001307 0.006021 -0.003373 -0.004704 -0.001144 11H 1s 0.065744 -0.026855 -0.037920 -0.003492 0.014818 -0.001076 11H 2s 0.811943 -0.328810 -0.539401 0.093123 0.260986 0.001622 11H 3s -1.618890 0.896867 1.305944 0.352258 -0.615689 0.428490 11H 1pz 0.017037 -0.012514 -0.012059 0.008766 0.012057 -0.006182 11H 1px 0.018313 -0.011755 -0.016418 -0.004938 0.002570 0.000470 11H 1py -0.023535 0.007506 0.013645 0.009334 -0.003227 0.001172 12H 1s -0.018798 -0.021480 0.035554 -0.011789 -0.005952 0.017179 12H 2s -0.365426 -0.225301 0.410988 -0.104887 -0.096465 0.307067 12H 3s 0.881455 0.670814 -1.157689 1.047016 0.274250 -0.452713 12H 1pz 0.008057 0.001984 -0.008393 0.005562 0.003019 0.002579 12H 1px -0.004112 -0.005153 0.000210 -0.010233 -0.002773 0.006150 12H 1py -0.018881 -0.011115 0.012606 -0.010788 -0.003998 0.006369 13H 1s -0.023610 0.015220 -0.002573 0.007750 0.001067 -0.021092 13H 2s -0.337260 0.163876 -0.109909 0.017907 0.071579 -0.423608 13H 3s 1.007644 0.031217 0.223810 -1.403380 -0.148001 0.476089 13H 1pz -0.015277 -0.001843 -0.011169 0.006595 -0.001132 -0.013062 13H 1px 0.012948 -0.006643 0.002561 -0.007207 -0.003767 0.014724 13H 1py 0.007651 -0.008046 0.001909 -0.001610 -0.004113 0.008562 14H 1s -0.013666 -0.000907 -0.023476 0.007044 -0.015803 0.011323 14H 2s -0.099864 -0.091009 -0.347011 -0.030971 -0.133454 0.214172 14H 3s 0.629913 0.293812 1.052767 -0.767194 0.375035 -0.270079 14H 1pz -0.006993 -0.004829 -0.011938 0.000055 -0.002055 -0.002212 14H 1px -0.004359 -0.002461 -0.009713 0.006137 -0.001732 0.015742 14H 1py -0.001739 -0.005595 -0.006131 0.003958 -0.006467 0.005293 15H 1s -0.002397 0.070565 0.041698 0.011021 0.000804 0.006425 15H 2s 0.072313 0.917452 0.583413 -0.057004 0.166505 0.146683 15H 3s 0.161329 -2.011115 -1.352407 -0.304296 -0.023421 -0.488092 15H 1pz 0.001373 -0.028839 -0.018296 -0.011963 -0.001483 -0.004337 15H 1px 0.003409 0.003759 0.004480 -0.004130 0.001243 0.015235 15H 1py -0.001718 -0.029930 -0.017436 0.010664 -0.015890 -0.006008 16H 1s 0.019091 0.001305 -0.012780 0.053265 -0.025752 0.006242 16H 2s 0.257133 0.175790 -0.216180 0.400397 -0.314041 -0.020067 16H 3s -0.160830 -0.110491 0.328220 -0.441487 0.582577 0.344144 16H 1pz 0.007876 0.012786 -0.015769 0.006576 -0.006602 -0.010059 16H 1px -0.005152 -0.012303 0.013630 0.009327 0.020712 0.018391 16H 1py 0.008935 0.006811 0.001074 0.001995 -0.009193 0.008445 17H 1s 0.021318 0.019442 -0.004062 -0.023666 -0.017933 -0.005366 17H 2s 0.336293 0.239663 0.106935 -0.112412 -0.315949 0.073631 17H 3s -0.257090 -0.155607 -0.162294 0.145842 0.610322 -0.145808 17H 1pz -0.002955 -0.001956 -0.006481 0.008518 -0.011184 -0.004408 17H 1px -0.016961 -0.004875 -0.020340 -0.010807 0.029430 -0.018516 17H 1py 0.011821 0.009415 0.001420 0.000815 -0.010166 -0.001941 18H 1s 0.023330 0.020097 0.002437 -0.022052 0.017820 0.000033 18H 2s 0.359944 0.251893 -0.132312 -0.109299 0.283939 0.134857 18H 3s -0.282054 -0.169172 0.176624 0.135202 -0.549654 -0.279146 18H 1pz 0.003641 0.002354 -0.006950 -0.008077 -0.011894 0.002292 18H 1px 0.018104 0.005898 -0.021513 0.009856 0.024358 0.022631 18H 1py -0.011972 -0.009716 0.002222 -0.000158 -0.010366 0.000612 19H 1s 0.019256 0.000814 0.010964 0.052106 0.025070 0.010709 19H 2s 0.253007 0.167325 0.194023 0.389401 0.327627 0.029728 19H 3s -0.154239 -0.099370 -0.306235 -0.424021 -0.652836 0.226213 19H 1pz -0.006936 -0.011811 -0.015110 -0.006596 -0.009241 0.009388 19H 1px 0.004909 0.012108 0.013134 -0.009428 0.024381 -0.014161 19H 1py -0.008945 -0.006982 0.001171 -0.001861 -0.007286 -0.009325 20H 1s 0.001281 0.069565 -0.042383 0.011125 -0.001881 0.006927 20H 2s 0.114366 0.901644 -0.595936 -0.053859 -0.192747 0.124613 20H 3s 0.071454 -1.978098 1.369917 -0.312334 0.118170 -0.507353 20H 1pz 0.000189 0.028353 -0.018487 0.012086 -0.002068 0.004430 20H 1px -0.003394 -0.003763 0.004581 0.003921 0.004015 -0.015292 20H 1py 0.003057 0.029217 -0.017753 -0.010414 -0.017209 0.003165 21H 1s -0.013071 -0.000973 0.024397 0.007165 0.014050 0.014135 21H 2s -0.102462 -0.092631 0.356504 -0.029377 0.105865 0.234830 21H 3s 0.604511 0.283953 -1.088667 -0.764841 -0.348246 -0.341757 21H 1pz 0.007327 0.004778 -0.012191 -0.000017 -0.002706 0.002099 21H 1px 0.004434 0.002633 -0.010060 -0.006275 0.000413 -0.016009 21H 1py 0.001765 0.005490 -0.006368 -0.004016 -0.005179 -0.006735 22H 1s -0.022242 0.015464 0.002622 0.007669 0.002421 -0.022247 22H 2s -0.322975 0.167341 0.109204 0.017685 -0.004362 -0.452607 22H 3s 0.982164 0.024479 -0.244001 -1.417740 0.069253 0.525360 22H 1pz 0.015120 0.001788 -0.011298 -0.006630 -0.003377 0.013225 22H 1px -0.012176 0.006818 0.002611 0.007212 -0.001408 -0.015851 22H 1py -0.007093 0.008005 0.001878 0.001779 -0.002893 -0.009393 23H 1s -0.022820 -0.022326 -0.036283 -0.011949 0.003774 0.018559 23H 2s -0.432054 -0.234534 -0.416648 -0.106956 0.060208 0.333049 23H 3s 1.026795 0.699781 1.163819 1.038393 -0.197514 -0.508019 23H 1pz -0.008734 -0.002350 -0.008532 -0.005786 0.003614 -0.002147 23H 1px 0.004638 0.005018 0.000276 0.010196 -0.002277 -0.007155 23H 1py 0.022250 0.011456 0.012736 0.010907 -0.003363 -0.007363 24H 1s 0.070262 -0.024897 0.036204 -0.003350 -0.013628 -0.002928 24H 2s 0.876709 -0.308867 0.521668 0.092545 -0.240272 -0.026512 24H 3s -1.756826 0.836696 -1.264524 0.362957 0.498663 0.519162 24H 1pz -0.018689 0.012390 -0.011817 -0.008678 0.010303 0.007620 24H 1px -0.020390 0.011446 -0.016115 0.005239 0.001965 -0.000670 24H 1py 0.024941 -0.006626 0.012926 -0.009151 -0.003131 -0.001784 25H 1s 0.012806 -0.015374 -0.007743 -0.001153 -0.016877 -0.018760 25H 2s 0.112082 -0.189594 -0.096846 0.092149 -0.174457 -0.319382 25H 3s 0.021229 0.318431 0.065033 1.367315 0.077181 1.431950 25H 1pz -0.006476 0.007049 -0.001089 0.001853 0.000046 0.011407 25H 1px 0.000257 -0.007551 -0.004857 -0.005132 -0.006618 -0.015902 25H 1py 0.009370 0.001307 0.005955 0.003454 -0.004761 0.000655 26O 1s 0.001445 0.000453 0.000769 -0.000311 -0.001119 -0.004113 26O 2s 0.003483 0.001247 0.001943 -0.001695 -0.003139 -0.010280 26O 3s -0.006337 -0.007135 -0.005613 0.018890 0.015170 0.016538 26O 4s -0.040047 0.042727 -0.035128 -0.149571 -0.023172 -0.016423 26O 5s 0.453393 -0.432116 0.425704 1.076855 -0.612998 1.046331 26O 1pz -0.025464 -0.010264 0.004832 -0.045238 -0.010233 -0.011587 26O 1px 0.041990 -0.063041 0.060769 0.028329 0.000027 0.050142 26O 1py -0.000996 -0.015427 -0.032355 0.035103 -0.001998 -0.091757 26O 2pz -0.049031 0.006865 0.025418 -0.133711 -0.003057 -0.031977 26O 2px 0.022154 -0.068903 0.062043 0.006913 0.033524 0.031855 26O 2py -0.025178 -0.014860 -0.091809 0.039235 0.042602 -0.226869 26O 3pz 0.078036 -0.230408 -0.153830 0.753009 0.003991 0.209524 26O 3px -0.302454 -0.071054 -0.365287 -0.498708 0.644175 -0.765234 26O 3py -0.062658 -0.142958 0.163283 -0.010267 0.100702 0.385058 26O 1dz2 0.000577 0.001865 0.001943 0.000295 -0.001639 0.002896 26O 1dxz 0.002746 0.000140 -0.001373 0.002783 -0.001077 -0.000120 26O 1dyz -0.000039 0.000581 -0.001025 -0.002114 0.000247 -0.001117 26O 1dx2y2 -0.001062 -0.000935 -0.003749 -0.003351 0.000672 -0.006578 26O 1dxy -0.000758 -0.002035 -0.000116 -0.002815 0.001131 -0.001823 26O 2dz2 -0.005357 0.001707 -0.020109 -0.002263 0.021530 -0.028175 26O 2dxz 0.007554 0.001283 -0.004912 -0.001742 -0.005549 0.000220 26O 2dyz -0.003905 -0.013445 0.005301 -0.003635 -0.005568 -0.005112 26O 2dx2y2 0.023510 -0.008019 0.011249 0.011274 -0.006454 0.012958 26O 2dxy 0.008819 -0.010055 0.017986 0.004795 -0.011848 0.012463 26O 1f0 0.000475 0.000590 -0.000562 -0.000263 -0.000342 0.000195 26O 1f+1 0.001355 0.000014 0.000746 0.000522 -0.000750 0.001513 26O 1f-1 -0.000200 -0.000393 0.000137 0.000751 -0.001219 0.000379 26O 1f+2 0.000196 -0.000135 0.000190 -0.000397 0.000299 -0.000719 26O 1f-2 -0.000247 -0.000584 0.000319 0.000836 0.001015 -0.000021 26O 1f+3 0.001166 -0.000683 0.000490 0.000585 0.001117 0.000824 26O 1f-3 0.001112 0.000016 0.001713 0.000194 -0.001856 0.001958 27O 1s -0.006546 -0.002303 0.000589 0.001510 0.005386 -0.004231 27O 2s -0.015575 -0.005665 0.001006 0.004610 0.012719 -0.010447 27O 3s 0.019989 0.011937 0.004795 -0.023246 -0.012782 0.016542 27O 4s 0.096858 -0.021096 -0.048552 0.130421 -0.045990 0.061184 27O 5s -0.286216 0.394691 0.135690 -1.106583 -0.298956 -0.123783 27O 1pz 0.030805 0.012769 0.016086 -0.012397 0.003688 0.056512 27O 1px -0.030070 0.051218 0.016286 -0.027989 -0.036673 -0.046044 27O 1py 0.000617 -0.000141 0.044677 -0.031782 -0.027354 0.093338 27O 2pz 0.049313 0.020025 0.045713 -0.011724 0.023879 0.115242 27O 2px -0.005882 0.059341 0.017841 -0.014665 -0.015601 -0.052217 27O 2py 0.004111 0.027689 0.094919 -0.116531 -0.042742 0.168596 27O 3pz -0.060545 0.064103 -0.168714 -0.330396 -0.189567 -0.355093 27O 3px 0.094513 -0.010516 0.016131 0.413560 0.341952 -0.085057 27O 3py -0.127178 -0.271131 -0.266873 0.701678 0.076487 -0.315705 27O 1dz2 0.000778 -0.000494 0.000662 -0.002392 -0.002451 0.001714 27O 1dxz -0.001364 -0.001332 -0.001613 -0.000988 -0.000163 -0.002526 27O 1dyz 0.001191 0.002495 0.000523 -0.002816 -0.002487 -0.000419 27O 1dx2y2 -0.000186 0.001317 -0.000573 0.001981 0.004758 -0.003090 27O 1dxy 0.000565 -0.001356 -0.001596 0.000239 -0.000178 -0.001460 27O 2dz2 0.007826 -0.010703 -0.004093 0.006438 0.004172 0.000364 27O 2dxz 0.000753 -0.010847 -0.007021 0.004594 0.008051 0.003269 27O 2dyz -0.000109 -0.008778 0.002621 0.001715 -0.000912 0.018443 27O 2dx2y2 -0.018822 -0.000372 -0.005272 -0.005884 -0.025252 -0.009345 27O 2dxy 0.008674 -0.004835 0.003367 -0.001102 -0.003144 0.012211 27O 1f0 0.000198 -0.000750 -0.000175 0.000933 -0.000355 0.000736 27O 1f+1 -0.000820 -0.000064 -0.000350 -0.000204 -0.001187 0.000120 27O 1f-1 0.000190 0.000285 0.000350 0.000000 0.000078 0.000236 27O 1f+2 -0.000614 0.000566 0.000719 0.000778 -0.000052 -0.000184 27O 1f-2 -0.000195 -0.000166 -0.000087 0.000934 0.000024 0.000045 27O 1f+3 -0.000730 0.000711 0.000308 -0.000980 -0.002339 -0.000075 27O 1f-3 0.000142 0.000202 0.000033 -0.000214 -0.000161 -0.000327 28O 1s -0.003601 -0.001773 0.000299 -0.004576 -0.005516 0.000612 28O 2s -0.008722 -0.003776 0.000066 -0.012175 -0.012687 0.001340 28O 3s 0.014449 -0.002932 0.010790 0.036852 0.005081 0.004310 28O 4s 0.024538 0.080238 -0.086081 -0.116296 0.080419 -0.045959 28O 5s 0.054966 -0.494794 0.277354 1.342933 0.405538 0.030148 28O 1pz 0.021925 0.026722 -0.033027 -0.016699 0.010839 0.020104 28O 1px -0.010262 0.051727 -0.045333 -0.048812 -0.030413 -0.019336 28O 1py -0.030808 -0.017290 0.025087 0.006697 -0.019399 0.032441 28O 2pz 0.034697 0.060918 -0.057767 -0.085406 -0.035173 0.033687 28O 2px -0.026637 0.067909 -0.064561 -0.079097 -0.015146 -0.055787 28O 2py -0.045022 -0.017994 0.047454 -0.005889 -0.041498 0.044054 28O 3pz 0.056028 -0.113728 0.057444 0.256238 -0.106213 0.317046 28O 3px 0.032131 -0.227700 0.153677 0.810685 0.576044 -0.052590 28O 3py 0.028339 0.003576 -0.087208 0.261415 0.105470 0.065963 28O 1dz2 0.000194 -0.001789 0.000424 0.000829 -0.000645 0.000621 28O 1dxz -0.001499 0.001166 0.001032 0.001822 0.004891 -0.004218 28O 1dyz -0.001154 0.000666 -0.001448 -0.002717 -0.001026 -0.001265 28O 1dx2y2 0.000183 0.000208 -0.000512 -0.003766 -0.005286 0.001240 28O 1dxy -0.000388 -0.000712 0.000358 -0.001718 -0.001672 -0.000322 28O 2dz2 -0.013457 -0.002959 -0.005532 -0.001926 -0.001070 -0.003325 28O 2dxz -0.003644 0.007537 -0.002934 -0.006394 -0.020907 0.009415 28O 2dyz 0.006565 0.002818 -0.001081 -0.004276 -0.007158 0.012949 28O 2dx2y2 -0.002053 -0.014906 0.007450 0.015822 0.026045 -0.000888 28O 2dxy 0.005371 -0.001487 0.001904 0.002641 -0.005057 0.008673 28O 1f0 0.000620 -0.000718 0.000443 0.000415 0.000827 0.000445 28O 1f+1 -0.000618 0.000094 -0.001091 -0.000220 0.001657 -0.000989 28O 1f-1 -0.000106 -0.000201 -0.000344 0.001351 0.000513 0.001045 28O 1f+2 -0.000184 0.000655 -0.000751 -0.000770 -0.002193 0.000539 28O 1f-2 -0.000194 0.000242 -0.000132 0.000061 -0.000582 0.000068 28O 1f+3 -0.000332 0.000653 -0.000315 -0.000316 -0.001509 0.000402 28O 1f-3 -0.000101 0.000290 0.000363 0.000090 -0.000059 -0.000875 29O 1s 0.010733 0.007011 -0.003650 0.006435 -0.021903 -0.001901 29O 2s 0.024123 0.015886 -0.008293 0.014352 -0.049891 -0.004363 29O 3s -0.003539 -0.004328 0.003744 -0.000901 0.021915 0.003338 29O 4s -0.249109 -0.146718 0.086081 -0.167087 0.493837 0.045551 29O 5s -0.000720 -0.069106 -0.062896 0.091439 -0.177827 -0.071170 29O 1pz 0.004005 -0.017361 -0.019359 0.076893 -0.025550 -0.014788 29O 1px -0.026178 -0.022699 0.003669 0.012309 0.072149 0.008766 29O 1py -0.016209 -0.020633 -0.000078 -0.009833 0.065413 0.002104 29O 2pz 0.012417 -0.021584 -0.063093 0.154684 -0.074728 -0.063430 29O 2px -0.077355 -0.064909 0.002944 0.017947 0.234204 0.021014 29O 2py -0.038936 -0.052128 0.004444 -0.016996 0.168136 0.015124 29O 3pz -0.030026 0.041831 -0.038108 -0.061920 0.228378 0.170301 29O 3px 0.081262 0.092675 -0.082134 0.030364 -0.740360 -0.136649 29O 3py 0.318137 0.293182 -0.014950 0.097420 -0.599914 -0.008417 29O 1dz2 0.001479 0.000833 -0.001442 0.003117 -0.000751 0.000310 29O 1dxz 0.001468 0.001137 0.000373 -0.001273 -0.000634 0.000101 29O 1dyz -0.000503 -0.000006 -0.002126 0.002955 0.000424 0.000116 29O 1dx2y2 -0.000258 -0.000351 -0.000181 -0.000399 0.000336 -0.000320 29O 1dxy -0.001319 -0.000713 -0.000664 0.000594 -0.000763 -0.000797 29O 2dz2 0.004116 -0.002999 0.013762 0.000897 -0.004115 0.013116 29O 2dxz -0.001801 0.005874 -0.017894 -0.001606 -0.003697 -0.014729 29O 2dyz -0.002048 -0.006667 0.006529 -0.000167 0.007793 0.002195 29O 2dx2y2 -0.003621 0.001664 -0.002103 -0.007748 0.011200 -0.002139 29O 2dxy 0.013194 0.010713 0.005633 0.000852 -0.027877 0.000583 29O 1f0 0.001471 0.001258 -0.000328 0.000608 -0.001633 0.000080 29O 1f+1 -0.000874 -0.000360 -0.001118 0.000069 0.000769 -0.001067 29O 1f-1 0.001566 0.001667 -0.000961 0.000417 -0.002115 -0.000707 29O 1f+2 -0.000560 -0.000928 0.000877 0.000272 0.000701 0.000812 29O 1f-2 0.001490 0.000737 0.001479 0.000210 -0.001800 0.001119 29O 1f+3 -0.000898 -0.000364 -0.000556 -0.000520 0.001373 -0.000478 29O 1f-3 -0.000561 -0.000215 -0.000580 -0.000198 0.000332 -0.000554 30O 1s 0.002799 0.000417 -0.000589 0.001171 0.002358 0.003028 30O 2s 0.006947 0.000705 -0.001138 0.003983 0.006253 0.008173 30O 3s -0.016961 0.001165 -0.005800 -0.025118 -0.021932 -0.021328 30O 4s -0.008294 -0.055779 0.017948 0.145307 0.023433 0.065656 30O 5s 0.110264 0.863198 0.355413 -1.254669 0.517741 -1.058120 30O 1pz -0.037094 -0.008133 -0.041494 -0.043403 -0.001694 -0.000684 30O 1px 0.004974 -0.064251 -0.045849 0.030570 0.026018 0.028165 30O 1py 0.008273 0.011832 -0.032878 -0.025834 -0.003101 -0.051012 30O 2pz -0.066016 -0.040659 -0.108635 -0.042476 -0.012230 0.032785 30O 2px 0.021340 -0.069408 -0.045283 0.048972 0.054367 0.010409 30O 2py 0.041110 0.074039 -0.017046 -0.112582 0.039905 -0.102061 30O 3pz -0.125921 -0.199775 0.114258 0.050155 -0.399259 0.323166 30O 3px 0.306129 0.537479 0.305572 -0.721117 0.521012 -0.539385 30O 3py 0.145170 -0.041734 0.105956 0.501517 0.156865 -0.129968 30O 1dz2 0.002196 0.001065 0.002261 -0.001375 0.001117 0.000208 30O 1dxz 0.001949 0.002036 0.001409 -0.001929 0.001409 -0.005571 30O 1dyz 0.000650 0.000306 0.000786 -0.002002 -0.000104 -0.003313 30O 1dx2y2 -0.002836 -0.003223 -0.001222 0.002433 -0.000660 0.001690 30O 1dxy -0.002305 0.000526 -0.002366 -0.000832 -0.000451 0.002693 30O 2dz2 0.005750 0.000127 -0.006506 0.008724 -0.000441 -0.006587 30O 2dxz -0.003791 -0.018393 -0.013281 0.011336 -0.018918 0.018883 30O 2dyz 0.004089 -0.009316 -0.006703 0.003615 -0.002638 0.001684 30O 2dx2y2 0.003036 0.016012 0.007952 -0.002148 -0.003633 -0.011491 30O 2dxy 0.012304 0.021116 0.013299 -0.004596 0.015646 -0.018743 30O 1f0 0.000624 0.001157 0.001205 0.000906 0.000785 -0.000869 30O 1f+1 0.000537 0.000406 -0.000653 0.000122 -0.000140 -0.000718 30O 1f-1 0.000150 0.000218 0.000024 0.000576 0.000315 -0.000790 30O 1f+2 0.000142 -0.000977 -0.000511 0.001588 0.000425 0.000239 30O 1f-2 -0.000906 -0.001341 -0.000589 0.000442 -0.001795 0.001084 30O 1f+3 0.000648 -0.000280 0.000541 -0.000282 0.001717 0.000111 30O 1f-3 -0.000439 -0.001624 -0.001268 0.000489 -0.000476 0.001463 31O 1s 0.002606 0.000241 0.000434 0.001332 -0.002589 0.002831 31O 2s 0.006453 0.000292 0.000770 0.004388 -0.006925 0.007596 31O 3s -0.015709 0.001651 0.006569 -0.026045 0.023540 -0.018123 31O 4s -0.008563 -0.053349 -0.014791 0.144769 -0.035889 0.059388 31O 5s 0.115452 0.845681 -0.405132 -1.244960 -0.279215 -1.155416 31O 1pz 0.034304 0.007018 -0.042753 0.043207 -0.002237 0.000083 31O 1px -0.004320 0.063625 -0.048385 -0.030752 0.033279 -0.024018 31O 1py -0.010977 -0.012600 -0.031910 0.025890 -0.011370 0.051445 31O 2pz 0.060239 0.037692 -0.112842 0.042228 -0.002296 -0.036222 31O 2px -0.020310 0.068503 -0.046402 -0.050129 0.055239 -0.001445 31O 2py -0.045373 -0.074078 -0.012514 0.112268 0.019030 0.111661 31O 3pz 0.136848 0.203568 0.095588 -0.042869 -0.328355 -0.393855 31O 3px -0.292536 -0.526472 0.344037 0.716920 0.392748 0.651091 31O 3py -0.124284 0.044989 0.121321 -0.507666 0.118512 0.157308 31O 1dz2 0.002064 0.001074 -0.002397 -0.001376 -0.001052 -0.000051 31O 1dxz 0.002006 0.002110 -0.001663 -0.001939 -0.000202 -0.005938 31O 1dyz 0.000584 0.000373 -0.000870 -0.002037 0.000692 -0.003458 31O 1dx2y2 -0.002860 -0.003190 0.001500 0.002438 0.000188 0.001908 31O 1dxy -0.002090 0.000503 0.002554 -0.000822 -0.000178 0.002890 31O 2dz2 0.005429 -0.000002 0.006160 0.008702 0.001292 -0.006627 31O 2dxz -0.004086 -0.018460 0.014536 0.010950 0.013488 0.022540 31O 2dyz 0.004002 -0.009155 0.006939 0.003365 0.001167 0.002224 31O 2dx2y2 0.003117 0.015988 -0.008637 -0.002272 0.005921 -0.011381 31O 2dxy 0.011924 0.020774 -0.015106 -0.004257 -0.010066 -0.021965 31O 1f0 -0.000619 -0.001149 0.001300 -0.000935 0.000517 0.001018 31O 1f+1 -0.000515 -0.000391 -0.000601 -0.000124 -0.000285 0.000701 31O 1f-1 -0.000158 -0.000195 0.000043 -0.000581 0.000116 0.000826 31O 1f+2 -0.000142 0.001001 -0.000519 -0.001604 0.000481 -0.000206 31O 1f-2 0.000885 0.001329 -0.000699 -0.000402 -0.001443 -0.001444 31O 1f+3 -0.000614 0.000288 0.000575 0.000241 0.001671 0.000186 31O 1f-3 0.000468 0.001638 -0.001346 -0.000472 -0.000092 -0.001575 32O 1s 0.011192 0.007090 0.002794 0.006289 0.021808 0.002465 32O 2s 0.025174 0.016076 0.006378 0.014002 0.049695 0.005574 32O 3s -0.004089 -0.004582 -0.003638 -0.000470 -0.022346 -0.000905 32O 4s -0.258708 -0.147387 -0.065125 -0.166169 -0.490560 -0.056773 32O 5s -0.000234 -0.071953 0.060307 0.099385 0.181933 -0.012423 32O 1pz -0.003441 0.017829 -0.017851 -0.073399 -0.030028 0.011545 32O 1px 0.028324 0.023169 0.002112 -0.011313 0.071346 0.006530 32O 1py 0.016600 0.021947 -0.001208 0.005030 0.064906 0.006198 32O 2pz -0.010651 0.023257 -0.059889 -0.147455 -0.091284 0.052156 32O 2px 0.082686 0.066652 -0.001654 -0.017771 0.230555 0.025994 32O 2py 0.039882 0.054706 0.000929 0.006914 0.168539 0.009419 32O 3pz 0.047878 -0.029094 -0.045549 0.052180 0.256972 -0.122652 32O 3px -0.084762 -0.091437 -0.078689 -0.024372 -0.747083 -0.012058 32O 3py -0.327095 -0.300480 0.007022 -0.079258 -0.592964 -0.083437 32O 1dz2 0.001505 0.000792 0.001223 0.002961 0.000827 0.000391 32O 1dxz 0.001610 0.001216 -0.000549 -0.001312 0.000502 0.000210 32O 1dyz -0.000656 -0.000122 0.002215 0.002999 -0.000208 -0.000042 32O 1dx2y2 -0.000215 -0.000332 0.000139 -0.000430 -0.000308 -0.000273 32O 1dxy -0.001397 -0.000756 0.000748 0.000528 0.000971 -0.000605 32O 2dz2 0.004694 -0.002141 -0.013559 0.000482 0.001127 0.013672 32O 2dxz -0.002722 0.005021 0.018148 -0.001468 0.006678 -0.013465 32O 2dyz -0.001375 -0.006368 -0.006894 -0.000215 -0.008427 0.001398 32O 2dx2y2 -0.004330 0.001386 0.002716 -0.008017 -0.010562 -0.004587 32O 2dxy 0.013267 0.011244 -0.006236 -0.000194 0.026912 0.004631 32O 1f0 -0.001364 -0.001152 -0.000191 -0.000519 -0.001475 -0.000317 32O 1f+1 0.001011 0.000473 -0.001208 -0.000091 0.000595 0.001205 32O 1f-1 -0.001607 -0.001663 -0.000810 -0.000430 -0.002303 0.000301 32O 1f+2 0.000626 0.000974 0.000833 -0.000254 0.000980 -0.000663 32O 1f-2 -0.001540 -0.000779 0.001590 -0.000164 -0.001452 -0.001372 32O 1f+3 0.000891 0.000372 -0.000563 0.000502 0.001184 0.000653 32O 1f-3 0.000603 0.000215 -0.000659 0.000216 0.000180 0.000630 33O 1s -0.003608 -0.001799 -0.000072 -0.004679 0.005563 0.001429 33O 2s -0.008767 -0.003848 0.000454 -0.012415 0.012825 0.003256 33O 3s 0.015064 -0.002672 -0.011140 0.036939 -0.006545 0.002948 33O 4s 0.021777 0.079852 0.080923 -0.115454 -0.075260 -0.053104 33O 5s 0.047859 -0.500678 -0.260345 1.360766 -0.378275 -0.058140 33O 1pz -0.023557 -0.027458 -0.030569 0.016445 0.013677 -0.018791 33O 1px 0.010255 -0.051205 -0.044431 0.050000 -0.032018 0.015106 33O 1py 0.035594 0.017836 0.022472 -0.005574 -0.012979 -0.036066 33O 2pz -0.037919 -0.062205 -0.053271 0.086233 -0.024943 -0.038701 33O 2px 0.026369 -0.067384 -0.063976 0.079374 -0.024214 0.054906 33O 2py 0.053158 0.019326 0.043621 0.007800 -0.031162 -0.051204 33O 3pz -0.062656 0.110707 0.052859 -0.249875 -0.065434 -0.346979 33O 3px -0.017681 0.236355 0.145187 -0.824209 0.539536 0.149032 33O 3py -0.040731 -0.008327 -0.080289 -0.263704 0.094905 -0.052021 33O 1dz2 0.000231 -0.001720 -0.000356 0.000788 0.000711 0.000837 33O 1dxz -0.001519 0.001141 -0.000988 0.001973 -0.004087 -0.005005 33O 1dyz -0.001157 0.000625 0.001413 -0.002750 0.001317 -0.000991 33O 1dx2y2 0.000218 0.000212 0.000460 -0.003887 0.004864 0.002027 33O 1dxy -0.000429 -0.000686 -0.000223 -0.001739 0.001481 -0.000097 33O 2dz2 -0.014151 -0.003299 0.006091 -0.001729 0.001823 -0.003128 33O 2dxz -0.003407 0.007362 0.002895 -0.006992 0.017859 0.012816 33O 2dyz 0.006619 0.002957 0.000830 -0.004201 0.004708 0.013927 33O 2dx2y2 -0.002342 -0.015232 -0.007017 0.016481 -0.025185 -0.005123 33O 2dxy 0.005594 -0.001144 -0.002304 0.002605 0.003362 0.009429 33O 1f0 -0.000666 0.000677 0.000433 -0.000440 0.000898 -0.000313 33O 1f+1 0.000672 -0.000066 -0.001110 0.000186 0.001414 0.001287 33O 1f-1 0.000098 0.000204 -0.000351 -0.001365 0.000637 -0.000956 33O 1f+2 0.000152 -0.000664 -0.000752 0.000835 -0.001978 -0.000880 33O 1f-2 0.000229 -0.000235 -0.000153 -0.000050 -0.000558 -0.000162 33O 1f+3 0.000359 -0.000648 -0.000323 0.000353 -0.001390 -0.000640 33O 1f-3 0.000109 -0.000286 0.000362 -0.000090 -0.000234 0.000873 34O 1s -0.006613 -0.002390 -0.000320 0.001493 -0.004694 -0.005374 34O 2s -0.015750 -0.005872 -0.000352 0.004576 -0.011024 -0.013120 34O 3s 0.020588 0.012243 -0.005959 -0.023384 0.010426 0.018450 34O 4s 0.095604 -0.020270 0.046511 0.132020 0.036237 0.075859 34O 5s -0.278262 0.378731 -0.121490 -1.104896 0.289578 -0.045976 34O 1pz -0.027280 -0.012065 0.018427 0.012162 0.014866 -0.055175 34O 1px 0.028300 -0.051248 0.015878 0.028517 -0.041863 0.039704 34O 1py 0.001993 0.000894 0.043861 0.032107 -0.008594 -0.098584 34O 2pz -0.043650 -0.019152 0.049914 0.011295 0.046000 -0.110066 34O 2px 0.004153 -0.059803 0.019903 0.015757 -0.024061 0.053501 34O 2py -0.000515 -0.025524 0.093396 0.116693 -0.006703 -0.178816 34O 3pz 0.048535 -0.065467 -0.175916 0.333019 -0.245493 0.318339 34O 3px -0.102966 0.001908 0.023353 -0.410956 0.304720 0.170395 34O 3py 0.124201 0.266921 -0.269659 -0.703840 -0.003489 0.331094 34O 1dz2 0.000720 -0.000441 -0.000690 -0.002378 0.002022 0.002295 34O 1dxz -0.001147 -0.001255 0.001743 -0.000996 0.000490 -0.002455 34O 1dyz 0.001178 0.002503 -0.000625 -0.002844 0.002512 0.000032 34O 1dx2y2 -0.000035 0.001323 0.000514 0.001994 -0.003999 -0.004093 34O 1dxy 0.000534 -0.001274 0.001527 0.000259 0.000572 -0.001329 34O 2dz2 0.007074 -0.010884 0.003809 0.006320 -0.002805 -0.000971 34O 2dxz 0.000174 -0.010963 0.007241 0.004690 -0.008265 0.001656 34O 2dyz -0.000100 -0.008667 -0.002315 0.001745 -0.002951 0.018683 34O 2dx2y2 -0.018700 -0.000620 0.006523 -0.005986 0.026042 -0.003947 34O 2dxy 0.008452 -0.004682 -0.003845 -0.001185 0.001452 0.012278 34O 1f0 -0.000141 0.000786 -0.000184 -0.000918 -0.000251 -0.000775 34O 1f+1 0.000802 0.000062 -0.000415 0.000198 -0.001113 -0.000390 34O 1f-1 -0.000220 -0.000295 0.000367 0.000001 0.000130 -0.000196 34O 1f+2 0.000520 -0.000594 0.000708 -0.000773 -0.000090 0.000185 34O 1f-2 0.000202 0.000202 -0.000087 -0.000934 0.000003 -0.000020 34O 1f+3 0.000763 -0.000705 0.000251 0.000991 -0.002261 -0.000407 34O 1f-3 -0.000108 -0.000212 0.000068 0.000231 -0.000274 0.000386 35O 1s 0.001294 0.000334 -0.000790 -0.000262 0.001276 -0.004096 35O 2s 0.003132 0.000975 -0.001997 -0.001597 0.003549 -0.010205 35O 3s -0.006104 -0.007050 0.005838 0.019168 -0.015235 0.015422 35O 4s -0.038463 0.044843 0.034876 -0.152502 0.030741 -0.012925 35O 5s 0.461210 -0.428603 -0.428875 1.074677 0.381829 1.126588 35O 1pz 0.027127 0.011371 0.002636 0.044918 -0.010434 0.011478 35O 1px -0.043130 0.062904 0.060465 -0.029320 0.013984 -0.047196 35O 1py 0.000524 0.014885 -0.031085 -0.035123 -0.019805 0.092730 35O 2pz 0.053636 -0.005122 0.022214 0.132761 -0.005668 0.034909 35O 2px -0.021387 0.069648 0.060739 -0.008725 0.041095 -0.024705 35O 2py 0.022517 0.014234 -0.090860 -0.039864 -0.003781 0.234393 35O 3pz -0.092102 0.227043 -0.152462 -0.748940 0.024507 -0.224235 35O 3px 0.305717 0.073587 -0.372000 0.490160 0.473164 0.856417 35O 3py 0.075779 0.145950 0.153993 0.009331 0.168707 -0.376631 35O 1dz2 0.000667 0.001932 -0.001980 0.000256 0.000971 0.003045 35O 1dxz 0.002826 0.000218 0.001203 0.002753 0.001080 0.000144 35O 1dyz -0.000076 0.000568 0.000995 -0.002125 -0.000120 -0.001184 35O 1dx2y2 -0.001144 -0.000922 0.003738 -0.003320 0.000685 -0.006596 35O 1dxy -0.000907 -0.002185 0.000229 -0.002767 -0.000868 -0.001893 35O 2dz2 -0.005293 0.001353 0.020135 -0.002070 -0.014335 -0.031198 35O 2dxz 0.007716 0.001216 0.004833 -0.001818 0.004730 0.000523 35O 2dyz -0.004128 -0.013279 -0.004775 -0.003687 0.005690 -0.005185 35O 2dx2y2 0.024909 -0.007532 -0.011641 0.011460 0.002518 0.013367 35O 2dxy 0.008678 -0.010076 -0.018176 0.004874 0.007795 0.013048 35O 1f0 -0.000470 -0.000582 -0.000542 0.000276 -0.000283 -0.000233 35O 1f+1 -0.001429 -0.000073 0.000803 -0.000518 -0.000398 -0.001611 35O 1f-1 0.000195 0.000369 0.000122 -0.000716 -0.001118 -0.000557 35O 1f+2 -0.000208 0.000119 0.000218 0.000384 0.000145 0.000757 35O 1f-2 0.000256 0.000580 0.000307 -0.000841 0.000949 0.000165 35O 1f+3 -0.001221 0.000685 0.000490 -0.000607 0.001307 -0.000594 35O 1f-3 -0.001141 -0.000044 0.001751 -0.000178 -0.001351 -0.002215 204 205 206 207 208 209 0.50500 0.50534 0.50804 0.51099 0.51183 0.51797 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s 0.000174 0.003174 -0.000513 -0.004324 0.004158 0.002815 0Rh 2s -0.001394 -0.012227 0.002355 0.012931 -0.016449 -0.009316 0Rh 3s 0.000150 0.010929 -0.001535 -0.017198 0.014057 0.010642 0Rh 4s 0.006600 0.054838 -0.010742 -0.056293 0.074003 0.041127 0Rh 5s -0.012169 -0.048116 0.012858 0.016995 -0.068681 -0.023120 0Rh 6s 0.015378 -0.088854 0.002964 0.224170 -0.105602 -0.119680 0Rh 7s -0.130068 0.010635 0.009889 -0.998816 0.052456 0.436005 0Rh 8s 0.005621 0.859118 0.151235 0.620911 0.915735 -0.266624 0Rh 1pz -0.003146 -0.000425 0.005039 -0.005181 -0.000087 -0.012653 0Rh 1px -0.000630 0.002913 0.000594 -0.003605 0.004871 -0.002518 0Rh 1py -0.000723 0.000288 0.003738 -0.004567 -0.000644 0.005272 0Rh 2pz 0.010637 0.001415 -0.017478 0.017800 0.000246 0.043772 0Rh 2px 0.002051 -0.010212 -0.002007 0.012932 -0.017147 0.008266 0Rh 2py 0.002290 -0.001260 -0.012570 0.016036 0.002411 -0.018163 0Rh 3pz -0.005233 -0.000187 0.017347 -0.014314 0.000845 -0.041165 0Rh 3px 0.000678 0.012253 0.000969 -0.021303 0.021900 0.000968 0Rh 3py 0.001860 0.006260 0.004875 -0.019694 -0.005812 0.015634 0Rh 4pz -0.032712 -0.006717 0.018851 -0.033079 -0.004466 -0.056372 0Rh 4px -0.013631 0.002616 0.006468 0.020733 -0.001053 -0.045876 0Rh 4py -0.017676 -0.017957 0.043091 -0.002730 0.010975 0.029002 0Rh 5pz 0.043960 0.008966 0.002150 0.036192 0.004290 0.015116 0Rh 5px 0.029631 0.022002 -0.013414 -0.088372 0.051368 0.086404 0Rh 5py 0.019179 0.036444 -0.054085 -0.027189 -0.029939 -0.014876 0Rh 6pz -0.487420 0.152649 0.138451 -0.740012 0.365849 -0.515997 0Rh 6px -0.324240 -0.214573 0.211827 0.621601 -0.576784 -0.843482 0Rh 6py 0.202304 -0.106896 0.405660 -0.169261 0.283441 0.201993 0Rh 1dz2 -0.028786 0.005819 -0.016608 0.005292 0.003811 -0.001084 0Rh 1dxz -0.006467 -0.000628 -0.010066 0.009775 0.002512 -0.004360 0Rh 1dyz 0.014465 0.010461 0.015105 0.005392 -0.008585 -0.001101 0Rh 1dx2y2 -0.018529 0.000552 -0.007320 -0.009738 -0.010623 0.011828 0Rh 1dxy 0.003368 -0.008306 -0.010562 -0.010329 0.002936 -0.000149 0Rh 2dz2 0.003206 -0.000507 0.000631 0.000069 0.000287 0.001686 0Rh 2dxz 0.000215 0.001166 0.001912 -0.002045 -0.000253 -0.001331 0Rh 2dyz -0.001064 -0.000742 -0.001918 -0.000832 0.000793 -0.000803 0Rh 2dx2y2 0.001754 -0.000620 0.000595 0.001075 0.000006 -0.002348 0Rh 2dxy -0.000242 0.000276 0.001337 0.000354 -0.000683 0.000662 0Rh 3dz2 0.041206 -0.008945 0.028914 -0.010231 -0.008454 -0.005113 0Rh 3dxz 0.011421 -0.003722 0.011145 -0.009840 -0.003865 0.013796 0Rh 3dyz -0.022894 -0.016588 -0.020493 -0.006680 0.012822 0.005384 0Rh 3dx2y2 0.027881 0.001753 0.011462 0.013808 0.020189 -0.012460 0Rh 3dxy -0.005331 0.014586 0.014392 0.018048 -0.002634 -0.002484 0Rh 4dz2 0.074282 -0.012400 0.025112 -0.003689 0.000947 0.024946 0Rh 4dxz 0.009240 0.017718 0.037280 -0.038177 -0.003844 -0.015155 0Rh 4dyz -0.031821 -0.022649 -0.044301 -0.017117 0.021201 -0.009127 0Rh 4dx2y2 0.042919 -0.011625 0.016258 0.023426 0.009385 -0.044899 0Rh 4dxy -0.007062 0.012025 0.029263 0.014229 -0.013167 0.010176 0Rh 5dz2 -0.045022 -0.016683 0.086220 -0.056522 -0.066291 -0.121348 0Rh 5dxz 0.028858 -0.093757 -0.077674 0.071892 -0.041226 0.143193 0Rh 5dyz 0.003461 0.005714 0.089228 0.024638 -0.017616 0.047271 0Rh 5dx2y2 0.014628 0.081967 0.002833 0.023208 0.109761 0.088145 0Rh 5dxy -0.005268 0.047238 -0.012492 0.073047 0.040163 -0.059723 0Rh 1f0 0.000021 -0.000487 -0.003779 0.000177 0.004230 0.002004 0Rh 1f+1 0.000340 0.000209 -0.005835 -0.000620 -0.006467 0.008732 0Rh 1f-1 0.003970 -0.002559 -0.001611 -0.007899 0.003135 -0.005183 0Rh 1f+2 -0.003029 -0.006862 -0.003813 -0.005273 -0.005205 0.005081 0Rh 1f-2 0.005734 0.007885 -0.004271 -0.004631 -0.009401 -0.002415 0Rh 1f+3 0.001386 -0.004784 0.001371 -0.004990 -0.004612 0.002941 0Rh 1f-3 -0.003685 -0.008202 0.002883 0.001765 0.001134 0.001815 1Rh 1s -0.000109 -0.003276 -0.000149 -0.003950 -0.004392 0.002943 1Rh 2s -0.000155 0.012648 0.000868 0.011579 0.017178 -0.009662 1Rh 3s -0.000732 -0.011265 -0.000328 -0.015857 -0.014970 0.011175 1Rh 4s 0.000975 -0.056739 -0.004037 -0.050266 -0.077194 0.042614 1Rh 5s -0.005942 0.050034 0.006279 0.012463 0.069988 -0.023141 1Rh 6s 0.019221 0.090876 -0.005098 0.211243 0.116896 -0.127362 1Rh 7s -0.083454 -0.019990 -0.006134 -0.960715 -0.100702 0.485441 1Rh 8s -0.102874 -0.824561 0.249581 0.679826 -0.874942 -0.272512 1Rh 1pz 0.002959 -0.001447 -0.005040 0.005230 0.000017 0.012710 1Rh 1px 0.000928 0.002606 -0.000987 0.003254 0.005071 0.002462 1Rh 1py 0.000875 -0.000011 -0.003781 0.004677 -0.000480 -0.005106 1Rh 2pz -0.010004 0.004940 0.017487 -0.017957 -0.000103 -0.043969 1Rh 2px -0.003073 -0.009180 0.003382 -0.011684 -0.017860 -0.008047 1Rh 2py -0.002863 -0.000273 0.012727 -0.016433 0.001807 0.017586 1Rh 3pz 0.004922 -0.003327 -0.017469 0.014220 0.000955 0.041347 1Rh 3px 0.000170 0.011832 -0.002534 0.019449 0.023037 -0.001621 1Rh 3py -0.000355 0.006226 -0.005145 0.020366 -0.004576 -0.015062 1Rh 4pz 0.030731 -0.012017 -0.018354 0.034170 -0.003114 0.056581 1Rh 4px 0.015457 -0.000927 -0.007164 -0.019582 -0.002118 0.047435 1Rh 4py 0.014668 -0.022611 -0.042834 0.002051 0.009164 -0.028414 1Rh 5pz -0.041481 0.012383 -0.003426 -0.037163 0.001774 -0.014408 1Rh 5px -0.031717 0.027710 0.011329 0.081860 0.056737 -0.091225 1Rh 5py -0.011912 0.042101 0.053301 0.029759 -0.025556 0.015524 1Rh 6pz 0.492498 0.073507 -0.140321 0.700117 0.402973 0.487553 1Rh 6px 0.385063 -0.279655 -0.201743 -0.536974 -0.623791 0.925476 1Rh 6py -0.237767 -0.115683 -0.404705 0.146489 0.286006 -0.215351 1Rh 1dz2 -0.029322 -0.003191 -0.015909 0.005716 -0.003748 -0.001187 1Rh 1dxz -0.006166 0.001391 -0.009810 0.009607 -0.002110 -0.004359 1Rh 1dyz 0.012809 -0.011488 0.015277 0.004825 0.009466 -0.001421 1Rh 1dx2y2 -0.019066 0.001459 -0.007363 -0.010897 0.010162 0.011248 1Rh 1dxy 0.005240 0.007104 -0.010886 -0.009743 -0.004146 -0.000008 1Rh 2dz2 0.003220 0.000114 0.000604 0.000075 -0.000314 0.001707 1Rh 2dxz 0.000075 -0.001082 0.001972 -0.002031 0.000189 -0.001341 1Rh 2dyz -0.000936 0.000798 -0.001916 -0.000776 -0.000928 -0.000776 1Rh 2dx2y2 0.001879 0.000458 0.000526 0.001117 0.000012 -0.002299 1Rh 2dxy -0.000342 -0.000170 0.001328 0.000269 0.000774 0.000647 1Rh 3dz2 0.042165 0.005601 0.027697 -0.011062 0.008451 -0.005003 1Rh 3dxz 0.011436 0.001918 0.010399 -0.009595 0.003380 0.013834 1Rh 3dyz -0.020312 0.018295 -0.020827 -0.005849 -0.013919 0.005871 1Rh 3dx2y2 0.028345 -0.004897 0.011850 0.015837 -0.019395 -0.011561 1Rh 3dxy -0.008450 -0.012765 0.015049 0.017300 0.004543 -0.002686 1Rh 4dz2 0.074983 0.004203 0.024116 -0.003995 -0.001355 0.025310 1Rh 4dxz 0.006856 -0.017220 0.037970 -0.037626 0.002593 -0.015274 1Rh 4dyz -0.028147 0.024731 -0.044449 -0.015664 -0.024089 -0.008426 1Rh 4dx2y2 0.045537 0.007369 0.015079 0.025099 -0.008730 -0.043621 1Rh 4dxy -0.010370 -0.009215 0.029400 0.012414 0.015553 0.009820 1Rh 5dz2 -0.041229 0.028927 0.081258 -0.061067 0.067836 -0.121651 1Rh 5dxz 0.039205 0.080890 -0.085918 0.068993 0.042039 0.143577 1Rh 5dyz 0.002892 -0.004463 0.087734 0.023100 0.024426 0.048002 1Rh 5dx2y2 0.004066 -0.085136 0.012903 0.030277 -0.106444 0.088556 1Rh 5dxy -0.011776 -0.047320 -0.008390 0.075600 -0.035350 -0.059591 1Rh 1f0 0.000070 0.000065 0.003642 -0.000376 0.004521 -0.002044 1Rh 1f+1 -0.000192 0.001012 0.006091 0.001081 -0.006123 -0.008613 1Rh 1f-1 -0.004229 -0.002360 0.001668 0.007717 0.003778 0.005092 1Rh 1f+2 0.002233 -0.006620 0.004474 0.005726 -0.004607 -0.005083 1Rh 1f-2 -0.004784 0.008871 0.004139 0.005121 -0.008847 0.002649 1Rh 1f+3 -0.001947 -0.004704 -0.000827 0.005355 -0.004448 -0.002931 1Rh 1f-3 0.002658 -0.008664 -0.002352 -0.001749 0.000838 -0.001904 2C 1s 0.005001 0.003484 -0.004273 0.016571 -0.002374 -0.008342 2C 2s 0.010770 0.008714 -0.010120 0.038200 -0.005633 -0.018431 2C 3s 0.016636 -0.016342 0.007351 -0.053508 0.002423 0.021169 2C 4s -0.277397 0.082663 0.040080 -0.229443 0.098972 0.210853 2C 5s 0.774253 -2.147241 2.619802 3.136823 0.314518 -3.937639 2C 1pz -0.045095 -0.000872 0.016782 0.015848 -0.041761 -0.018055 2C 1px 0.134847 0.052001 -0.142364 0.021733 0.114037 0.034447 2C 1py 0.042826 0.031335 0.003094 0.040971 0.011706 -0.014093 2C 2pz -0.129869 0.034805 0.081641 0.280165 -0.147084 -0.186900 2C 2px 0.517575 0.207929 -0.528065 0.160761 0.356883 0.129314 2C 2py 0.124053 0.138578 -0.031151 0.308819 0.026990 -0.113332 2C 3pz 0.309660 -0.489607 0.591293 0.752654 0.561449 -0.952119 2C 3px -0.768592 -0.253156 1.242802 0.242651 -0.847506 -0.622533 2C 3py -0.289913 -0.463828 0.115574 0.180012 0.138115 -0.399857 2C 1dz2 0.000212 -0.000003 -0.000957 0.001673 0.000324 -0.000220 2C 1dxz -0.000981 -0.003580 0.001210 -0.001694 0.001524 -0.002634 2C 1dyz -0.001403 -0.000018 0.002731 0.002724 -0.000682 -0.001950 2C 1dx2y2 -0.003308 0.000747 0.000870 -0.000639 -0.002442 -0.000046 2C 1dxy 0.000889 -0.000640 0.001257 -0.000738 0.000310 -0.000598 2C 2dz2 0.053914 0.047826 -0.068243 0.048255 0.062065 -0.039118 2C 2dxz -0.075236 -0.062767 0.052278 0.056422 -0.078378 -0.000646 2C 2dyz 0.040819 0.023430 -0.003273 0.102617 -0.012563 -0.039970 2C 2dx2y2 -0.034365 -0.028127 0.013112 -0.017624 -0.027412 0.023069 2C 2dxy -0.112387 -0.055942 0.037523 0.048697 -0.061637 -0.017384 2C 1f0 0.010940 0.003660 -0.003134 -0.002369 0.009551 -0.000289 2C 1f+1 0.002598 0.001179 -0.002637 0.003629 -0.001676 0.001581 2C 1f-1 -0.005122 -0.001835 0.003934 0.002239 -0.001133 -0.004075 2C 1f+2 -0.002278 -0.001146 0.004835 0.004334 -0.007882 -0.001396 2C 1f-2 -0.008149 -0.005283 0.006330 -0.001820 -0.005118 0.001745 2C 1f+3 0.003338 0.003782 -0.002984 0.011621 -0.003668 -0.002720 2C 1f-3 0.008187 0.004861 -0.008528 0.001841 0.006166 0.000638 3C 1s -0.005564 -0.000688 -0.002568 0.014487 0.001455 -0.000978 3C 2s -0.011720 -0.002666 -0.006184 0.033196 0.004168 -0.002481 3C 3s -0.022177 0.019296 0.009720 -0.054549 -0.011277 0.035891 3C 4s 0.366986 -0.156692 0.067758 -0.134517 0.113786 -0.208298 3C 5s -2.078208 2.161568 -1.043794 2.878206 -2.836457 -1.910486 3C 1pz -0.038535 -0.029047 -0.054752 0.015686 -0.028482 -0.036486 3C 1px 0.008491 0.086529 0.099449 0.076079 0.089103 0.153078 3C 1py 0.001200 0.029227 0.011775 -0.007084 0.004920 0.043524 3C 2pz -0.092541 -0.124879 -0.194587 0.188454 -0.096602 -0.218626 3C 2px 0.046249 0.245708 0.333889 0.348172 0.320687 0.530045 3C 2py 0.046008 0.120868 0.102479 -0.249039 0.005867 0.252296 3C 3pz 0.315061 0.371733 0.471525 0.266123 -0.125787 -0.141758 3C 3px -0.071271 -0.433917 -0.735377 -0.202347 -0.629856 -1.435727 3C 3py 0.406041 -0.790316 0.119519 -0.984668 0.678955 0.394105 3C 1dz2 -0.000391 -0.000162 -0.000030 -0.000056 0.000937 0.001938 3C 1dxz -0.000784 0.003593 0.001601 0.001168 -0.000767 -0.000486 3C 1dyz 0.000187 0.001018 0.001947 -0.001945 -0.000006 0.001248 3C 1dx2y2 -0.001800 -0.000698 -0.000137 -0.000931 0.000204 -0.000471 3C 1dxy 0.000559 -0.000725 -0.000384 -0.001267 0.002200 0.003657 3C 2dz2 -0.038330 0.041752 0.005328 -0.017290 0.026897 0.014992 3C 2dxz -0.018709 -0.014591 -0.016819 0.040618 -0.037805 -0.013298 3C 2dyz 0.013496 -0.032953 -0.015527 -0.093028 -0.039050 0.002105 3C 2dx2y2 0.001499 -0.032667 -0.040829 -0.088425 -0.076479 -0.013208 3C 2dxy 0.022025 0.083273 0.101172 -0.007354 0.096629 0.081445 3C 1f0 0.001790 0.001946 0.002670 -0.008200 -0.000494 0.001115 3C 1f+1 0.002396 0.005073 0.007041 0.001663 0.005399 0.006611 3C 1f-1 -0.000974 -0.000195 -0.001350 -0.003291 -0.001761 0.001571 3C 1f+2 -0.004131 -0.004358 -0.001401 0.003707 0.002643 0.006964 3C 1f-2 -0.004676 0.000144 -0.003110 0.000339 0.000241 -0.001468 3C 1f+3 -0.000199 -0.006465 -0.004844 0.000334 -0.004776 -0.006189 3C 1f-3 0.001766 -0.008889 -0.006804 -0.006922 -0.009420 -0.006228 4C 1s 0.002485 0.003207 -0.001027 0.004106 0.000347 0.000129 4C 2s 0.005812 0.006519 -0.002227 0.009480 0.001670 0.000312 4C 3s -0.055127 0.022092 0.014882 0.046977 -0.054035 -0.054566 4C 4s 0.385021 -0.334372 -0.058309 -0.486135 0.412369 0.267272 4C 5s 0.628481 1.836132 -2.048290 -2.555620 -0.216167 3.161891 4C 1pz 0.045893 0.006013 -0.011143 -0.077293 0.022528 0.047722 4C 1px -0.129905 0.028318 0.142980 -0.026792 -0.166898 -0.012926 4C 1py -0.093133 -0.009648 -0.009650 -0.060427 -0.023151 0.039562 4C 2pz 0.123403 -0.061269 -0.022082 -0.237960 0.213638 0.007612 4C 2px -0.168324 0.284881 -0.062343 0.309012 -0.679947 0.426478 4C 2py -0.026869 0.028655 -0.076190 -0.027373 -0.085840 0.171224 4C 3pz 0.096160 -0.671978 1.131959 1.684861 0.515532 -1.851726 4C 3px -0.071508 -0.705663 -0.022334 0.130656 0.373228 -0.174701 4C 3py 0.615004 -0.547722 1.255954 1.147677 0.246519 -1.407485 4C 1dz2 -0.007460 -0.003665 0.005519 0.001502 -0.000435 -0.005887 4C 1dxz 0.003330 0.009431 -0.006172 0.003397 -0.000402 0.004821 4C 1dyz 0.002265 -0.001281 0.001045 0.004285 0.002072 -0.003065 4C 1dx2y2 0.006001 -0.000607 -0.003544 0.000305 0.002993 0.002609 4C 1dxy 0.004790 0.004476 -0.005566 0.003822 0.002281 0.001768 4C 2dz2 -0.016223 -0.048644 0.105596 -0.177285 0.077564 -0.054912 4C 2dxz 0.004188 0.016510 -0.085250 0.156827 -0.181493 0.139413 4C 2dyz -0.029285 -0.054253 0.043677 -0.137648 -0.012702 0.040087 4C 2dx2y2 0.066992 0.017428 0.003310 0.034978 0.022731 0.018058 4C 2dxy 0.084372 0.033112 -0.146531 0.073787 -0.099707 0.193832 4C 1f0 -0.002502 0.001247 0.001671 0.002994 -0.005119 -0.000526 4C 1f+1 -0.004215 0.001424 0.002366 0.008076 -0.002932 -0.008201 4C 1f-1 -0.002666 -0.001682 0.006154 0.000893 0.003937 -0.009211 4C 1f+2 0.003533 -0.005883 0.004451 -0.014045 0.012478 -0.002664 4C 1f-2 0.005746 0.005484 -0.009409 0.008112 -0.004971 0.007953 4C 1f+3 0.001914 -0.005200 0.003625 -0.008083 0.009613 -0.004875 4C 1f-3 -0.009417 -0.004863 0.009299 -0.004315 0.005220 -0.014592 5C 1s 0.000364 -0.001816 -0.000783 0.002640 0.002610 -0.002855 5C 2s 0.000895 -0.003901 -0.001817 0.005923 0.005608 -0.006525 5C 3s 0.036431 0.014372 0.001400 0.075571 -0.009306 -0.012166 5C 4s -0.344131 0.097595 0.043452 -0.561706 -0.100525 0.199741 5C 5s 0.401811 -1.708928 0.268865 -2.856334 2.127806 2.149254 5C 1pz 0.067506 0.023942 0.069737 -0.024602 0.024798 0.057855 5C 1px -0.013963 -0.162411 -0.083043 -0.098787 -0.022431 -0.132554 5C 1py 0.014126 -0.027938 -0.001361 0.061011 0.001748 -0.068521 5C 2pz 0.017730 0.169504 0.095048 -0.035659 0.031644 -0.066293 5C 2px -0.004548 -0.858410 -0.285927 -0.233336 0.104991 0.371862 5C 2py 0.067182 -0.091616 -0.025206 0.129430 -0.014312 -0.002515 5C 3pz -0.931666 0.649186 -0.674451 0.969854 -0.634191 -0.802003 5C 3px -0.478157 0.573782 -0.263913 0.663283 -0.906839 -0.183922 5C 3py 0.447501 -0.696894 0.331581 -1.481279 1.060417 1.425300 5C 1dz2 0.000231 0.000588 -0.000895 -0.002863 -0.002668 -0.004055 5C 1dxz 0.002102 -0.001842 -0.000106 0.003089 0.002229 0.004339 5C 1dyz 0.002647 -0.002473 0.000702 -0.004313 0.004557 0.008631 5C 1dx2y2 -0.002839 -0.000634 0.000182 -0.003422 0.006499 0.009516 5C 1dxy -0.002302 0.001259 -0.002172 -0.003830 -0.006761 -0.008224 5C 2dz2 0.044328 0.066309 0.013453 0.076201 -0.014897 -0.095775 5C 2dxz 0.100572 -0.067291 0.020944 -0.040791 0.003383 0.137277 5C 2dyz 0.033147 -0.081696 -0.003975 0.151341 0.007260 0.045930 5C 2dx2y2 0.005936 -0.164233 -0.015917 0.048037 0.026705 0.111824 5C 2dxy -0.032540 0.180787 0.047052 0.055409 0.037173 -0.297350 5C 1f0 0.003459 -0.008959 -0.000166 0.002099 0.001290 0.012432 5C 1f+1 0.004125 0.012579 0.002256 0.003730 -0.003964 -0.015388 5C 1f-1 -0.000465 -0.003260 0.000457 -0.001726 0.001059 0.005417 5C 1f+2 -0.000944 0.005919 0.002979 -0.003294 -0.000200 -0.002022 5C 1f-2 -0.007246 0.011896 0.001140 -0.007309 -0.003287 -0.014180 5C 1f+3 0.002470 0.011385 0.001361 0.012221 -0.002157 -0.006844 5C 1f-3 -0.004395 -0.002680 0.002777 -0.006912 0.003750 0.007811 6C 1s 0.000499 0.001695 -0.000740 0.002804 -0.002441 -0.002741 6C 2s 0.001151 0.003662 -0.001714 0.006258 -0.005254 -0.006290 6C 3s 0.035008 -0.021989 0.001910 0.074967 0.014448 -0.012029 6C 4s -0.357600 -0.022985 0.042821 -0.569185 0.062678 0.190495 6C 5s 0.687422 1.562344 0.254978 -2.637731 -2.246755 2.240970 6C 1pz -0.065408 0.028634 -0.073175 0.022775 0.022261 -0.056594 6C 1px -0.007384 -0.153857 0.095694 0.101190 -0.009331 0.128015 6C 1py -0.017428 -0.027525 0.002958 -0.060139 -0.000411 0.068065 6C 2pz 0.000691 0.157647 -0.110695 0.032535 0.027620 0.072879 6C 2px -0.109180 -0.815488 0.341508 0.227286 0.138904 -0.392404 6C 2py -0.076817 -0.075904 0.030819 -0.124768 -0.019750 0.001412 6C 3pz 1.059780 0.502428 0.670117 -0.904290 -0.648467 0.826948 6C 3px 0.577788 0.502418 0.266750 -0.587316 -0.935583 0.217637 6C 3py -0.610121 -0.555992 -0.328166 1.358688 1.104261 -1.489452 6C 1dz2 0.000177 -0.000778 -0.001005 -0.003026 0.002492 -0.004046 6C 1dxz 0.002183 0.001334 -0.000151 0.003183 -0.001953 0.004337 6C 1dyz 0.002984 0.001927 0.000780 -0.004005 -0.004694 0.008739 6C 1dx2y2 -0.002486 0.001119 0.000380 -0.002916 -0.006588 0.009664 6C 1dxy -0.002225 -0.001182 -0.002442 -0.004158 0.006313 -0.008084 6C 2dz2 0.035624 -0.072419 0.017589 0.074805 0.019260 -0.096716 6C 2dxz 0.109215 0.053738 0.018382 -0.041725 -0.005113 0.136660 6C 2dyz 0.042091 0.074149 -0.009034 0.152481 0.001813 0.047087 6C 2dx2y2 0.025461 0.162807 -0.024871 0.050530 -0.025797 0.112097 6C 2dxy -0.056710 -0.163646 0.061617 0.056972 -0.030875 -0.301640 6C 1f0 -0.004606 -0.007921 0.000768 -0.002172 0.001163 -0.012640 6C 1f+1 -0.002463 0.012813 -0.002968 -0.003402 -0.004305 0.015575 6C 1f-1 0.000093 -0.003334 -0.000241 0.001623 0.001110 -0.005515 6C 1f+2 0.001643 0.005428 -0.003415 0.003331 -0.000206 0.002196 6C 1f-2 0.008670 0.010452 -0.001696 0.007446 -0.002913 0.014340 6C 1f+3 -0.000934 0.011700 -0.001984 -0.012020 -0.003044 0.006970 6C 1f-3 0.003952 -0.003659 -0.002705 0.006586 0.004029 -0.007846 7C 1s 0.001847 -0.003465 -0.001137 0.004268 -0.000209 0.000332 7C 2s 0.004455 -0.007122 -0.002467 0.009884 -0.001348 0.000753 7C 3s -0.053760 -0.011732 0.014930 0.043750 0.057887 -0.054597 7C 4s 0.410583 0.255533 -0.049269 -0.471261 -0.444655 0.254625 7C 5s 0.298210 -2.026101 -2.024601 -2.484507 -0.029987 3.235167 7C 1pz -0.042821 0.011571 0.009080 0.076262 0.027924 -0.047341 7C 1px 0.131495 0.005719 -0.135861 0.036974 -0.171598 0.015791 7C 1py 0.089990 -0.020209 0.011986 0.060911 -0.019916 -0.040041 7C 2pz -0.118028 -0.046616 0.015317 0.225707 0.228405 -0.006943 7C 2px 0.188217 0.288236 0.080268 -0.274809 -0.696277 -0.427966 7C 2py 0.030599 0.036035 0.080007 0.029717 -0.082082 -0.174143 7C 3pz -0.222277 -0.680689 -1.126011 -1.692020 0.350452 1.856598 7C 3px -0.015850 -0.704579 0.055794 -0.144328 0.368090 0.158358 7C 3py -0.700943 -0.515731 -1.245058 -1.138711 0.125548 1.419677 7C 1dz2 -0.007025 0.005142 0.005132 0.001425 0.000794 -0.005848 7C 1dxz 0.002267 -0.010050 -0.005561 0.003493 0.000325 0.004966 7C 1dyz 0.002424 0.001077 0.001083 0.004395 -0.001847 -0.003110 7C 1dx2y2 0.005828 -0.000532 -0.003240 0.000352 -0.003083 0.002452 7C 1dxy 0.004334 -0.005561 -0.005116 0.003972 -0.002297 0.001756 7C 2dz2 -0.010149 0.059907 0.108586 -0.173764 -0.083849 -0.058130 7C 2dxz 0.009691 -0.027539 -0.091881 0.146755 0.186565 0.140164 7C 2dyz -0.022743 0.056981 0.041389 -0.141260 0.007359 0.037654 7C 2dx2y2 0.062975 -0.028237 0.002712 0.038539 -0.021600 0.020068 7C 2dxy 0.078414 -0.060397 -0.149482 0.069841 0.098778 0.196158 7C 1f0 0.002387 0.000908 -0.001467 -0.002707 -0.005325 0.000461 7C 1f+1 0.003971 0.000226 -0.002476 -0.007793 -0.003505 0.008272 7C 1f-1 0.002451 -0.002654 -0.006228 -0.001096 0.003582 0.009187 7C 1f+2 -0.003676 -0.005784 -0.004663 0.013439 0.013148 0.002792 7C 1f-2 -0.005195 0.007022 0.009306 -0.007973 -0.005060 -0.008068 7C 1f+3 -0.002265 -0.005303 -0.003720 0.007572 0.009989 0.004905 7C 1f-3 0.008630 -0.007233 -0.009335 0.004146 0.005078 0.014749 8C 1s -0.005182 0.001582 -0.002549 0.014661 -0.000716 -0.000946 8C 2s -0.010703 0.004506 -0.006174 0.033675 -0.002486 -0.002360 8C 3s -0.024159 -0.015486 0.010390 -0.055718 0.008612 0.035440 8C 4s 0.373383 0.097090 0.063212 -0.124236 -0.118511 -0.204674 8C 5s -2.442253 -1.749260 -1.031537 2.585540 2.914254 -2.036228 8C 1pz 0.034702 -0.029463 0.057319 -0.013708 -0.026077 0.035823 8C 1px 0.003107 0.078177 -0.109845 -0.081955 0.077452 -0.149859 8C 1py 0.003257 0.028607 -0.014528 0.007260 0.004507 -0.042707 8C 2pz 0.077151 -0.123132 0.204205 -0.180806 -0.094492 0.217435 8C 2px -0.012620 0.218225 -0.367292 -0.369638 0.276761 -0.519764 8C 2py -0.028568 0.123681 -0.113280 0.250809 0.014902 -0.249421 8C 3pz -0.248248 0.355253 -0.490651 -0.244318 -0.164081 0.172136 8C 3px 0.030067 -0.406562 0.795931 0.254768 -0.561164 1.427563 8C 3py -0.546109 -0.702440 -0.096693 0.912867 0.722206 -0.429207 8C 1dz2 -0.000323 0.000115 0.000007 0.000053 -0.000928 0.002020 8C 1dxz -0.001321 -0.003208 0.001830 0.001064 0.000950 -0.000615 8C 1dyz 0.000137 -0.000946 0.002013 -0.001918 0.000008 0.001248 8C 1dx2y2 -0.001660 0.000873 -0.000186 -0.000911 -0.000234 -0.000462 8C 1dxy 0.000691 0.000630 -0.000317 -0.001063 -0.002260 0.003682 8C 2dz2 -0.044872 -0.035375 0.008863 -0.014666 -0.026097 0.015269 8C 2dxz -0.016118 0.014516 -0.020077 0.038819 0.039339 -0.012553 8C 2dyz 0.018716 0.026697 -0.018787 -0.095327 0.032551 0.002579 8C 2dx2y2 0.005967 0.026185 -0.047768 -0.092657 0.068015 -0.011226 8C 2dxy 0.010463 -0.077045 0.111159 -0.002186 -0.090130 0.079151 8C 1f0 -0.001477 0.002155 -0.002875 0.008184 -0.000053 -0.001267 8C 1f+1 -0.001562 0.004682 -0.007598 -0.002185 0.004931 -0.006510 8C 1f-1 0.001076 -0.000164 0.001480 0.003445 -0.001556 -0.001478 8C 1f+2 0.003255 -0.004865 0.001571 -0.003967 0.002477 -0.007102 8C 1f-2 0.004484 -0.000360 0.003109 -0.000505 0.000381 0.001323 8C 1f+3 -0.000614 -0.005951 0.005422 -0.000224 -0.004310 0.005857 8C 1f-3 -0.002884 -0.007852 0.007902 0.007529 -0.008486 0.006114 9C 1s 0.004782 -0.004510 -0.004189 0.016550 0.003244 -0.008144 9C 2s 0.010155 -0.010952 -0.009911 0.038179 0.007637 -0.017939 9C 3s 0.018399 0.013133 0.006888 -0.054322 -0.005504 0.019986 9C 4s -0.297070 -0.025511 0.044439 -0.218330 -0.113165 0.214328 9C 5s 1.143034 2.084097 2.557320 3.070396 0.004773 -3.987623 9C 1pz 0.043485 -0.005769 -0.013015 -0.014405 -0.043277 0.017162 9C 1px -0.126580 0.075118 0.133402 -0.028882 0.118794 -0.036172 9C 1py -0.036730 0.034259 -0.005853 -0.041329 0.009009 0.014066 9C 2pz 0.127817 0.017694 -0.069814 -0.276882 -0.167297 0.180285 9C 2px -0.486105 0.297182 0.496952 -0.183877 0.370093 -0.136067 9C 2py -0.100296 0.147770 0.021489 -0.311297 0.008337 0.110881 9C 3pz -0.383056 -0.488824 -0.606827 -0.753481 0.489693 0.963766 9C 3px 0.714444 -0.402099 -1.204868 -0.182762 -0.919449 0.652649 9C 3py 0.201124 -0.486245 -0.106154 -0.191019 0.120915 0.414312 9C 1dz2 0.000283 -0.000214 -0.000943 0.001694 -0.000255 -0.000188 9C 1dxz -0.000520 0.003807 0.001054 -0.001685 -0.001590 -0.002711 9C 1dyz -0.001333 0.000407 0.002654 0.002679 0.000952 -0.001932 9C 1dx2y2 -0.003375 -0.000312 0.000672 -0.000752 0.002456 -0.000008 9C 1dxy 0.000750 0.000702 0.001305 -0.000777 -0.000240 -0.000649 9C 2dz2 0.046234 -0.055313 -0.061417 0.051804 -0.061095 -0.038080 9C 2dxz -0.065635 0.071953 0.041826 0.051873 0.082780 0.001319 9C 2dyz 0.039721 -0.029751 -0.002250 0.102736 0.018058 -0.039513 9C 2dx2y2 -0.028764 0.030712 0.010898 -0.020359 0.026783 0.022354 9C 2dxy -0.104844 0.070665 0.030535 0.045407 0.068669 -0.016602 9C 1f0 -0.010140 0.004730 0.002173 0.001911 0.009787 0.000334 9C 1f+1 -0.002790 0.001974 0.002929 -0.003561 -0.001469 -0.001760 9C 1f-1 0.004643 -0.002688 -0.003642 -0.002263 -0.001359 0.004075 9C 1f+2 0.001802 -0.001206 -0.004073 -0.004127 -0.008334 0.001342 9C 1f-2 0.007548 -0.006676 -0.005830 0.002117 -0.005443 -0.001587 9C 1f+3 -0.002510 0.004145 0.002616 -0.011329 -0.004543 0.002588 9C 1f-3 -0.007705 0.006533 0.008094 -0.002690 0.006368 -0.000612 10H 1s -0.019691 0.015464 0.013192 0.028163 -0.028272 -0.013778 10H 2s -0.457241 0.034946 0.316224 0.334070 -0.488889 -0.196650 10H 3s 0.813046 0.371635 -1.252815 -0.442860 1.206986 0.631549 10H 1pz -0.012425 -0.012206 0.013934 0.004217 -0.009314 -0.007068 10H 1px 0.018712 0.000632 -0.014979 -0.008652 0.019073 0.005791 10H 1py -0.005144 -0.005284 -0.001661 0.001609 -0.001359 0.000339 11H 1s 0.011053 0.002246 -0.021945 0.024122 0.009841 -0.013405 11H 2s 0.269402 0.201090 -0.395482 0.341066 0.111844 -0.077302 11H 3s -0.597729 0.025939 0.709611 -0.062115 -0.275961 -0.056554 11H 1pz 0.010443 0.011831 -0.003378 0.005285 -0.006560 0.003896 11H 1px 0.021278 0.006908 -0.014130 0.005335 0.008306 0.000164 11H 1py 0.006924 0.005482 0.003465 -0.005389 -0.002021 0.005252 12H 1s 0.027253 0.012775 -0.017990 0.031909 0.015385 -0.011360 12H 2s 0.489600 0.339822 -0.406062 0.463179 0.222885 -0.063190 12H 3s -0.912668 -0.201167 0.238412 -0.587044 -0.484008 0.309599 12H 1pz -0.011571 0.005768 -0.003503 -0.002476 -0.006340 0.004035 12H 1px 0.018283 0.007745 -0.015444 0.006944 0.008733 0.001553 12H 1py 0.015309 0.013899 -0.014638 0.012478 0.002323 0.001635 13H 1s -0.007922 -0.028768 -0.023311 0.015586 -0.000422 -0.025348 13H 2s -0.137596 -0.473682 -0.452702 0.129296 -0.175759 -0.493356 13H 3s 0.531150 0.614383 1.172597 0.168013 0.812731 1.115868 13H 1pz -0.000999 -0.010807 -0.011084 0.000328 -0.009830 -0.011034 13H 1px 0.008661 0.014581 0.015880 -0.000463 0.006639 0.013212 13H 1py 0.005258 0.001183 0.010001 0.000235 0.012359 0.009073 14H 1s -0.009374 0.017998 0.012939 0.039360 0.009811 0.013674 14H 2s -0.065741 0.166592 0.231526 0.544646 0.370948 0.390669 14H 3s 0.522250 -0.732340 -0.395724 -0.870103 -0.221427 -1.065348 14H 1pz 0.000270 -0.006341 0.000131 0.004712 0.008854 0.005693 14H 1px -0.001350 0.007485 0.011239 0.014776 0.017050 0.020907 14H 1py -0.006211 0.011283 -0.001590 0.003261 -0.008813 -0.004516 15H 1s 0.000158 0.002190 0.007138 0.026672 0.007990 -0.002707 15H 2s -0.022486 0.004116 0.101344 0.331829 0.215701 0.068383 15H 3s 0.059706 -0.173029 -0.284429 -0.016202 -0.128437 -0.219316 15H 1pz -0.002618 -0.004501 -0.006364 -0.008060 -0.001133 -0.002721 15H 1px -0.004034 0.009534 0.004999 0.003359 0.007954 0.010419 15H 1py 0.011199 0.002022 0.003531 -0.001111 -0.007108 -0.008404 16H 1s -0.013277 -0.040150 0.001086 -0.017304 0.048218 0.020030 16H 2s -0.062121 -0.197669 -0.118883 0.019610 0.289888 0.243524 16H 3s 0.164420 0.297428 0.048869 -0.139885 -0.430375 -0.394366 16H 1pz 0.001470 0.002723 -0.012796 0.013858 -0.002582 0.014675 16H 1px -0.006922 -0.016001 0.003684 -0.017050 0.017191 -0.009449 16H 1py -0.002120 0.005284 0.001534 -0.002031 0.000182 -0.003004 17H 1s 0.032894 0.051563 0.024191 -0.018703 -0.026193 -0.015597 17H 2s 0.072197 0.284786 0.103697 -0.107140 -0.113860 -0.227919 17H 3s -0.207768 -0.556085 -0.473098 0.070754 0.303117 0.568459 17H 1pz -0.002993 -0.005040 0.002706 0.002159 0.003466 0.004324 17H 1px 0.022250 0.016408 -0.002574 -0.003853 -0.006111 0.023672 17H 1py -0.005779 -0.000171 -0.007264 -0.001235 0.005384 0.006122 18H 1s 0.026749 -0.052774 0.027141 -0.020664 0.025251 -0.016909 18H 2s 0.033871 -0.276439 0.119779 -0.119670 0.109871 -0.235898 18H 3s -0.130089 0.524181 -0.508397 0.107231 -0.312592 0.595716 18H 1pz 0.002447 -0.005171 -0.002940 -0.002190 0.002978 -0.003844 18H 1px -0.021341 0.020000 0.001395 0.003478 -0.005451 -0.023718 18H 1py 0.005749 0.000223 0.007062 0.000966 0.005369 -0.006359 19H 1s -0.010325 0.042923 0.000497 -0.014205 -0.049853 0.020063 19H 2s -0.047409 0.199579 -0.114375 0.039156 -0.294452 0.240026 19H 3s 0.163832 -0.310775 0.043610 -0.165326 0.428386 -0.377538 19H 1pz -0.001657 0.004096 0.012144 -0.013801 -0.002971 -0.014337 19H 1px 0.004769 -0.017973 -0.002854 0.015878 0.018360 0.008481 19H 1py 0.002392 0.004875 -0.001875 0.001765 -0.000131 0.002759 20H 1s 0.000363 -0.001263 0.007630 0.027559 -0.005926 -0.002605 20H 2s -0.014487 0.010825 0.110293 0.354601 -0.189119 0.075825 20H 3s 0.070657 0.126222 -0.302200 -0.029181 0.109424 -0.216870 20H 1pz 0.002163 -0.004046 0.006740 0.008123 -0.000385 0.002604 20H 1px 0.005301 0.008169 -0.006015 -0.004010 0.007270 -0.010361 20H 1py -0.010490 0.003256 -0.003619 0.001984 -0.007070 0.008987 21H 1s -0.011665 -0.014902 0.014682 0.040149 -0.006414 0.012928 21H 2s -0.083624 -0.127768 0.261842 0.570919 -0.319168 0.381051 21H 3s 0.612741 0.606522 -0.454547 -0.875153 0.137183 -1.036689 21H 1pz -0.001280 -0.006395 -0.000259 -0.005287 0.008626 -0.005750 21H 1px 0.002102 0.005712 -0.012699 -0.015752 0.015306 -0.020477 21H 1py 0.007928 0.010253 0.001307 -0.002741 -0.008987 0.004775 22H 1s -0.003903 0.027863 -0.025296 0.015749 -0.000240 -0.024551 22H 2s -0.066989 0.450476 -0.493285 0.122230 0.154380 -0.478976 22H 3s 0.441525 -0.612418 1.252236 0.230341 -0.724636 1.098678 22H 1pz -0.000778 -0.009909 0.012056 0.000327 -0.009069 0.010875 22H 1px -0.006508 0.014276 -0.017338 0.000047 0.005680 -0.012732 22H 1py -0.004761 0.001058 -0.010814 -0.000866 0.011838 -0.008929 23H 1s 0.024683 -0.016128 -0.015992 0.032909 -0.013969 -0.011111 23H 2s 0.430185 -0.406626 -0.366262 0.479926 -0.206169 -0.057816 23H 3s -0.856064 0.308202 0.186770 -0.600800 0.443215 0.305179 23H 1pz 0.012232 0.004444 0.003653 0.002775 -0.006141 -0.004180 23H 1px -0.016764 0.010503 0.014091 -0.007238 0.008928 -0.001508 23H 1py -0.013178 0.016439 0.013558 -0.012774 0.001959 -0.001837 24H 1s 0.011566 -0.005171 -0.021879 0.025174 -0.009666 -0.012740 24H 2s 0.255591 -0.263864 -0.387665 0.357879 -0.113604 -0.065711 24H 3s -0.624634 0.125578 0.719610 -0.092325 0.316400 -0.074245 24H 1pz -0.009121 0.013709 0.003257 -0.005239 -0.006600 -0.004152 24H 1px -0.020460 0.010617 0.013298 -0.006123 0.008627 -0.000180 24H 1py -0.006047 0.006036 -0.003678 0.005414 -0.001752 -0.005160 25H 1s -0.020881 -0.012542 0.012265 0.026931 0.030567 -0.013412 25H 2s -0.453053 0.033195 0.284296 0.311804 0.523842 -0.189136 25H 3s 0.738748 -0.500615 -1.176485 -0.363937 -1.293978 0.648939 25H 1pz 0.010755 -0.014085 -0.012521 -0.003779 -0.010373 0.006861 25H 1px -0.018264 0.003377 0.013549 0.007637 0.020287 -0.005509 25H 1py 0.004601 -0.005787 0.002124 -0.001403 -0.001315 -0.000461 26O 1s -0.008735 0.002662 0.007873 -0.002717 -0.006197 -0.002143 26O 2s -0.021111 0.005215 0.019663 -0.007019 -0.014890 -0.005231 26O 3s 0.030596 0.014304 -0.042123 0.019650 0.014937 0.015619 26O 4s 0.141844 -0.143811 -0.039942 -0.018604 0.089788 0.037792 26O 5s -0.560189 0.128352 0.307835 -0.338296 0.351299 -0.875283 26O 1pz -0.063675 -0.042824 0.003561 0.030814 -0.060497 0.008897 26O 1px -0.111582 -0.024120 0.062770 -0.048596 -0.019534 -0.027889 26O 1py 0.022720 -0.036765 0.048053 -0.017633 -0.057216 0.022028 26O 2pz -0.118091 -0.062670 -0.018787 0.095778 -0.103790 0.027318 26O 2px -0.125190 -0.006876 0.007125 -0.012897 -0.069803 0.055621 26O 2py 0.114440 -0.040647 0.064072 0.018899 -0.126923 0.073606 26O 3pz 0.208325 0.191603 0.000124 -0.451095 0.216763 0.066503 26O 3px 0.329537 0.177554 -0.165194 0.108100 -0.407773 0.610050 26O 3py -0.390842 0.159472 -0.258492 -0.149368 0.077443 0.121555 26O 1dz2 -0.000293 -0.002170 0.000840 -0.001368 0.003714 -0.003964 26O 1dxz -0.000550 0.001862 0.000881 -0.001185 -0.000350 -0.001255 26O 1dyz 0.000170 0.000174 0.001802 -0.001980 -0.000687 0.000355 26O 1dx2y2 0.001340 0.001767 -0.002351 0.000783 -0.005178 0.005037 26O 1dxy -0.002551 0.002831 0.000818 0.000395 -0.004799 0.002070 26O 2dz2 0.016351 -0.000822 -0.011944 0.007907 -0.005228 0.035795 26O 2dxz -0.006765 -0.005610 0.013309 -0.006729 -0.002396 -0.010520 26O 2dyz -0.020698 -0.013154 0.005500 -0.003946 -0.007104 0.001018 26O 2dx2y2 -0.016349 -0.008914 0.026344 -0.012846 0.000671 -0.022363 26O 2dxy -0.020356 -0.013064 0.026287 -0.016204 0.001040 -0.021415 26O 1f0 -0.000041 -0.000214 0.000188 0.000147 0.000349 -0.000224 26O 1f+1 -0.000533 0.000112 0.000688 -0.000639 0.000815 -0.001780 26O 1f-1 -0.000472 -0.000522 0.000324 -0.001455 0.000340 0.000233 26O 1f+2 -0.000015 -0.000238 -0.000069 0.000489 -0.000686 0.000893 26O 1f-2 0.000046 0.000244 -0.000259 -0.000786 0.000038 0.000986 26O 1f+3 -0.001224 -0.000780 0.000706 -0.000535 0.000255 -0.000666 26O 1f-3 -0.000571 -0.000293 0.001458 -0.000154 0.001011 -0.003115 27O 1s -0.000141 -0.006439 -0.006475 -0.004687 0.002180 -0.007942 27O 2s -0.000509 -0.014389 -0.015386 -0.011981 0.003804 -0.019051 27O 3s 0.002122 -0.008086 0.016511 0.023900 0.019115 0.030815 27O 4s -0.022120 0.188174 0.093488 -0.020967 -0.151564 0.141951 27O 5s 0.294632 0.656190 0.289336 0.517813 0.254134 -1.072402 27O 1pz -0.043498 -0.023514 -0.058413 -0.037697 -0.027597 -0.005531 27O 1px -0.002755 -0.010416 -0.025900 -0.042125 -0.049900 -0.083262 27O 1py -0.020714 0.057302 0.001853 0.009502 0.059201 -0.013101 27O 2pz -0.099973 -0.028329 -0.139755 -0.059950 -0.051109 -0.012145 27O 2px -0.020743 -0.116531 -0.051506 -0.085389 -0.053576 0.012279 27O 2py -0.056769 0.124623 -0.012992 0.004122 0.086674 -0.071877 27O 3pz 0.245288 0.071825 0.358345 0.162676 0.111946 -0.099576 27O 3px -0.177248 -0.788869 -0.287243 -0.430648 0.133361 0.577227 27O 3py 0.247006 -0.046237 0.075233 0.217078 -0.258168 0.219632 27O 1dz2 0.000490 0.005569 0.002059 0.002270 -0.000853 -0.002720 27O 1dxz -0.000528 0.001147 0.001153 0.001901 -0.000049 -0.003396 27O 1dyz 0.000600 -0.000057 0.000498 0.001916 0.000442 -0.000262 27O 1dx2y2 -0.001365 -0.008448 -0.001955 -0.004178 0.001350 0.004821 27O 1dxy 0.001193 0.003199 0.001468 0.002013 -0.001905 0.003378 27O 2dz2 0.008223 -0.017201 0.000149 0.007892 0.011127 0.033653 27O 2dxz 0.000169 -0.002497 -0.000034 -0.002561 0.002278 0.001777 27O 2dyz -0.006806 0.003071 0.008276 0.010682 0.013349 -0.010624 27O 2dx2y2 0.011740 0.024920 0.006470 0.019929 -0.009032 -0.039845 27O 2dxy 0.001732 -0.009639 0.006885 0.002153 0.011379 0.021894 27O 1f0 0.000028 -0.000280 0.000032 0.000966 0.000699 -0.000039 27O 1f+1 0.000123 0.002169 0.000320 0.001829 -0.000420 -0.001959 27O 1f-1 -0.000153 -0.000524 0.000293 -0.000370 0.000309 -0.000125 27O 1f+2 0.000171 -0.000285 0.000063 0.001093 -0.000099 -0.000882 27O 1f-2 0.000305 -0.000539 -0.000237 0.000147 -0.000558 -0.000101 27O 1f+3 0.000513 0.002415 0.000792 0.000720 -0.000574 -0.002276 27O 1f-3 -0.000063 -0.001912 -0.000576 -0.000811 -0.000119 0.002082 28O 1s 0.005059 -0.006899 -0.003774 0.000643 0.003559 0.002879 28O 2s 0.012802 -0.014922 -0.009254 0.000687 0.008241 0.006636 28O 3s -0.026140 -0.009490 0.016901 0.005525 0.001793 -0.006338 28O 4s 0.010620 0.240760 0.038394 -0.086229 -0.062429 -0.071740 28O 5s -0.558705 -0.268939 -0.377419 0.813510 -0.775725 0.614580 28O 1pz 0.015355 0.036588 -0.074397 -0.035550 0.054418 0.026367 28O 1px -0.010714 -0.009190 0.015259 -0.023440 0.014063 -0.025371 28O 1py 0.062920 0.016043 0.054001 -0.002685 0.035581 -0.046653 28O 2pz -0.014017 0.015260 -0.054805 -0.129115 0.132568 -0.023739 28O 2px -0.029869 -0.013366 -0.024219 0.022154 -0.038493 0.005703 28O 2py 0.114847 0.009687 0.152299 -0.012823 0.058677 -0.115735 28O 3pz 0.514645 -0.086654 -0.190661 -0.116594 0.391187 0.086552 28O 3px -0.266914 0.342108 -0.092031 0.601146 -0.726499 0.250710 28O 3py -0.071001 0.057678 -0.669203 0.019100 0.007878 0.527827 28O 1dz2 0.002716 0.000551 -0.001859 0.002654 0.001104 0.001645 28O 1dxz -0.004393 0.003544 0.001342 0.004343 -0.008407 0.002678 28O 1dyz 0.001382 0.000204 -0.002618 -0.000609 0.001633 0.001645 28O 1dx2y2 0.001590 -0.003526 0.001006 -0.005814 0.005447 -0.000901 28O 1dxy -0.001253 -0.000946 0.004561 -0.001265 -0.001137 -0.002150 28O 2dz2 0.017160 -0.002715 -0.001307 -0.004793 -0.001951 -0.000837 28O 2dxz 0.008030 -0.016431 0.024263 -0.032817 0.026516 -0.023780 28O 2dyz 0.002809 -0.001233 -0.009612 -0.014391 0.000440 0.005392 28O 2dx2y2 0.000974 0.012930 -0.004279 0.016491 -0.014677 0.000483 28O 2dxy 0.003213 -0.000564 0.000580 -0.015091 0.005205 -0.000066 28O 1f0 -0.000756 0.000694 -0.000654 0.001011 -0.001125 -0.000243 28O 1f+1 -0.000241 0.000137 -0.000772 0.001773 -0.001485 0.000443 28O 1f-1 0.000786 0.000053 -0.001091 -0.001344 -0.000116 0.000818 28O 1f+2 0.000061 -0.001423 0.001170 -0.001793 0.002286 -0.001555 28O 1f-2 0.000120 0.000411 0.000031 0.000113 -0.000718 -0.000145 28O 1f+3 0.000163 -0.000887 0.000247 -0.001166 0.000846 -0.000293 28O 1f-3 -0.000022 -0.000544 0.000268 0.000983 -0.000861 0.000154 29O 1s 0.001140 0.001144 0.006574 -0.005194 -0.000421 -0.000108 29O 2s 0.002566 0.002946 0.014452 -0.011081 -0.000528 -0.000657 29O 3s -0.001095 -0.005983 0.001448 -0.007624 -0.005331 0.007294 29O 4s -0.042996 -0.009753 -0.222300 0.213819 0.039371 -0.037242 29O 5s 0.122198 0.029221 0.403410 -0.419752 -0.061925 0.121320 29O 1pz -0.055027 -0.093223 -0.017051 -0.010934 0.081716 0.045387 29O 1px -0.024301 -0.042210 -0.041440 0.021435 0.032550 0.014114 29O 1py 0.034737 0.035611 0.027854 -0.022062 0.024062 -0.007756 29O 2pz -0.114776 -0.176085 -0.043158 -0.005887 0.161808 0.114188 29O 2px -0.033772 -0.097333 -0.098122 0.029794 0.064523 0.047864 29O 2py 0.067643 0.070772 0.052076 -0.036627 0.064599 -0.020712 29O 3pz 0.258218 0.191061 -0.014304 0.036726 -0.180542 -0.009565 29O 3px 0.041826 0.160275 0.266639 0.104226 -0.156704 -0.129975 29O 3py -0.155461 -0.114166 -0.171546 0.069121 -0.115246 0.022152 29O 1dz2 0.000018 -0.001498 -0.000715 -0.000079 0.002557 0.001527 29O 1dxz 0.000842 0.001539 0.000291 -0.000635 -0.001215 -0.000762 29O 1dyz -0.000042 -0.002568 -0.001464 0.001140 0.001947 0.002946 29O 1dx2y2 0.000831 0.001114 0.001123 0.000253 0.000192 -0.000696 29O 1dxy 0.000155 -0.000748 0.000451 0.000392 0.000076 0.000830 29O 2dz2 -0.007403 -0.005638 0.003405 -0.010102 0.003549 -0.010365 29O 2dxz 0.010638 0.009281 -0.003038 0.007859 -0.007048 0.012107 29O 2dyz -0.001593 -0.004072 0.000950 -0.005740 0.005374 -0.005148 29O 2dx2y2 -0.000171 0.007587 -0.008124 -0.008430 0.001309 0.012601 29O 2dxy -0.013203 -0.000754 -0.003995 0.008408 -0.002512 -0.003493 29O 1f0 -0.000743 0.000022 -0.000789 0.000579 0.000174 0.000321 29O 1f+1 0.000594 0.000073 -0.000079 0.000220 -0.000002 0.000866 29O 1f-1 -0.000063 0.000787 -0.000662 0.001271 -0.000544 0.000266 29O 1f+2 -0.000217 -0.000728 0.000396 -0.000604 0.000507 -0.000648 29O 1f-2 -0.001262 -0.000675 0.000025 0.000127 0.000560 -0.001053 29O 1f+3 0.000389 0.000531 -0.000374 -0.000400 -0.000005 0.000866 29O 1f-3 0.000124 0.000446 0.000145 0.000104 -0.000263 0.000577 30O 1s 0.001356 0.006284 0.003382 0.000635 -0.003705 0.008354 30O 2s 0.002771 0.014825 0.008394 0.001259 -0.007492 0.020844 30O 3s 0.002513 -0.009763 -0.012938 0.000722 -0.012835 -0.045377 30O 4s -0.081220 -0.088743 -0.033312 -0.048276 0.180354 -0.050273 30O 5s 0.683444 -0.643260 -0.089285 0.274605 -0.447695 0.785578 30O 1pz -0.048764 0.034977 -0.010330 0.039702 0.035510 0.077956 30O 1px -0.055327 0.026024 -0.018768 0.003293 0.015273 -0.058060 30O 1py -0.059473 -0.043961 -0.057553 0.019901 -0.044602 -0.011818 30O 2pz -0.158621 0.102535 -0.044603 0.065861 0.054118 0.051769 30O 2px -0.062628 0.005248 -0.040571 0.026853 0.003736 -0.013000 30O 2py -0.072892 -0.104211 -0.084156 0.048639 -0.042489 0.106361 30O 3pz 0.379813 0.170851 0.450320 -0.297065 -0.038585 -0.130349 30O 3px 0.365912 -0.757339 -0.020780 0.094150 0.119687 0.418568 30O 3py 0.133802 -0.161563 -0.108964 -0.055045 -0.061365 -0.450417 30O 1dz2 0.002429 -0.002030 0.000572 0.001080 0.001156 0.000675 30O 1dxz 0.000163 -0.006622 -0.003945 0.001551 0.000576 0.002625 30O 1dyz 0.000209 -0.004993 -0.001482 0.000226 -0.000508 -0.002933 30O 1dx2y2 -0.000766 0.003366 -0.000406 -0.001917 -0.001468 -0.003842 30O 1dxy -0.001862 0.005859 0.002363 0.002175 -0.000228 0.000365 30O 2dz2 0.004365 -0.003559 0.003165 -0.003479 -0.003789 -0.011986 30O 2dxz -0.005191 0.015682 0.012186 -0.015918 -0.003642 -0.034583 30O 2dyz -0.013755 0.007830 -0.014436 0.000939 -0.004283 -0.030126 30O 2dx2y2 0.008290 -0.010218 0.003620 0.003485 0.002509 -0.004990 30O 2dxy 0.013711 -0.019105 -0.005319 0.008606 0.004554 0.029891 30O 1f0 0.000267 -0.000859 -0.000956 0.001094 0.000179 0.000337 30O 1f+1 -0.000316 -0.000371 -0.000706 0.000117 -0.001067 0.000277 30O 1f-1 0.000222 -0.000199 -0.000759 0.000812 -0.000053 0.000545 30O 1f+2 -0.000223 0.000928 -0.000510 0.000061 -0.000425 -0.001486 30O 1f-2 -0.000357 0.001885 0.000265 -0.000699 -0.000355 -0.002381 30O 1f+3 0.000084 -0.000572 -0.000002 -0.000016 -0.000204 0.001061 30O 1f-3 -0.000889 0.001478 -0.000001 -0.001059 -0.000093 -0.001839 31O 1s 0.000616 -0.006159 0.003658 0.000383 0.003985 0.008125 31O 2s 0.001021 -0.014428 0.009099 0.000736 0.008186 0.020314 31O 3s 0.003662 0.008347 -0.014183 0.000129 0.011592 -0.045158 31O 4s -0.070980 0.099208 -0.031537 -0.036925 -0.183986 -0.045530 31O 5s 0.769825 0.485814 -0.151729 0.244780 0.456132 0.795792 31O 1pz 0.052668 0.030302 0.007233 -0.042404 0.031651 -0.077677 31O 1px 0.056893 0.018537 0.017142 -0.004587 0.015833 0.056858 31O 1py 0.053211 -0.045100 0.063268 -0.017126 -0.042778 0.010491 31O 2pz 0.169984 0.084269 0.037960 -0.070356 0.048311 -0.051477 31O 2px 0.061672 -0.000226 0.041209 -0.026550 0.003656 0.011287 31O 2py 0.058557 -0.100759 0.094611 -0.046981 -0.041723 -0.109683 31O 3pz -0.350080 0.170782 -0.470919 0.299933 -0.036523 0.145267 31O 3px -0.470241 -0.671061 0.066186 -0.107204 0.117915 -0.439851 31O 3py -0.154084 -0.137794 0.119568 0.069662 -0.047129 0.449209 31O 1dz2 0.002652 0.001737 0.000508 0.001163 -0.001071 0.000709 31O 1dxz 0.000968 0.006058 -0.004387 0.001552 -0.000724 0.002777 31O 1dyz 0.000819 0.004715 -0.001859 0.000132 0.000392 -0.002819 31O 1dx2y2 -0.001197 -0.003163 -0.000260 -0.002045 0.001326 -0.003901 31O 1dxy -0.002495 -0.005341 0.002716 0.002265 0.000557 0.000299 31O 2dz2 0.004968 0.003250 0.002878 -0.003575 0.003343 -0.011880 31O 2dxz -0.007228 -0.012726 0.013212 -0.016338 0.002969 -0.035164 31O 2dyz -0.014532 -0.006414 -0.014210 0.001109 0.003385 -0.029971 31O 2dx2y2 0.009676 0.008961 0.003120 0.003716 -0.002310 -0.004663 31O 2dxy 0.016338 0.015836 -0.006308 0.009081 -0.004306 0.030172 31O 1f0 -0.000379 -0.000717 0.001005 -0.001101 0.000160 -0.000356 31O 1f+1 0.000272 -0.000337 0.000776 -0.000057 -0.001024 -0.000282 31O 1f-1 -0.000257 -0.000094 0.000767 -0.000804 -0.000058 -0.000550 31O 1f+2 0.000328 0.000871 0.000475 -0.000030 -0.000385 0.001501 31O 1f-2 0.000618 0.001704 -0.000383 0.000725 -0.000305 0.002445 31O 1f+3 -0.000189 -0.000533 0.000050 0.000032 -0.000216 -0.001085 31O 1f-3 0.001073 0.001259 -0.000095 0.001064 -0.000020 0.001865 32O 1s 0.000247 -0.000496 0.006951 -0.005515 0.000181 -0.000814 32O 2s 0.000498 -0.001518 0.015351 -0.011785 0.000027 -0.002259 32O 3s 0.000301 0.006209 0.000525 -0.007653 0.004796 0.007922 32O 4s -0.022922 -0.010144 -0.228960 0.223148 -0.028498 -0.019568 32O 5s 0.101644 -0.005407 0.407748 -0.427314 0.040618 0.106227 32O 1pz 0.048564 -0.099062 0.021563 0.004450 0.082684 -0.046563 32O 1px 0.017707 -0.040997 0.044177 -0.024929 0.031756 -0.016668 32O 1py -0.029772 0.033119 -0.030026 0.019646 0.028044 0.005676 32O 2pz 0.103466 -0.186372 0.050534 -0.006881 0.162615 -0.115515 32O 2px 0.016318 -0.092003 0.105328 -0.038131 0.064973 -0.055308 32O 2py -0.059253 0.065830 -0.056510 0.030082 0.071997 0.014633 32O 3pz -0.261277 0.221699 0.000079 -0.025500 -0.180668 0.007458 32O 3px -0.000140 0.143573 -0.284028 -0.079793 -0.172250 0.157584 32O 3py 0.145976 -0.108672 0.177580 -0.056981 -0.124442 -0.010580 32O 1dz2 0.000183 0.001401 -0.000622 0.000047 -0.002539 0.001437 32O 1dxz 0.000666 -0.001653 0.000329 -0.000730 0.001218 -0.000821 32O 1dyz 0.000349 0.002452 -0.001512 0.001292 -0.002011 0.003015 32O 1dx2y2 0.000659 -0.001152 0.001228 0.000225 -0.000122 -0.000791 32O 1dxy 0.000194 0.000675 0.000464 0.000357 -0.000018 0.000738 32O 2dz2 -0.006819 0.006637 0.002914 -0.009814 -0.003495 -0.010103 32O 2dxz 0.009983 -0.011440 -0.002078 0.007469 0.007357 0.011697 32O 2dyz -0.001703 0.004735 0.000502 -0.005753 -0.006133 -0.004841 32O 2dx2y2 -0.000096 -0.009264 -0.007430 -0.007887 -0.001498 0.013079 32O 2dxy -0.013480 0.001343 -0.004238 0.007959 0.003590 -0.003498 32O 1f0 0.000728 -0.000023 0.000720 -0.000518 0.000150 -0.000297 32O 1f+1 -0.000639 0.000177 0.000047 -0.000219 0.000010 -0.000895 32O 1f-1 0.000211 0.000812 0.000595 -0.001237 -0.000585 -0.000185 32O 1f+2 0.000116 -0.000830 -0.000362 0.000618 0.000545 0.000604 32O 1f-2 0.001226 -0.000895 0.000009 -0.000120 0.000530 0.001056 32O 1f+3 -0.000351 0.000629 0.000331 0.000364 0.000036 -0.000836 32O 1f-3 -0.000104 0.000535 -0.000159 -0.000112 -0.000306 -0.000606 33O 1s 0.005774 0.005964 -0.003849 0.000671 -0.003616 0.002817 33O 2s 0.014349 0.012596 -0.009328 0.000754 -0.008448 0.006481 33O 3s -0.025412 0.013963 0.015435 0.005921 -0.000801 -0.006024 33O 4s -0.015051 -0.239197 0.049899 -0.086426 0.057464 -0.071931 33O 5s -0.494426 0.315134 -0.431303 0.766587 0.806805 0.620970 33O 1pz -0.011402 0.042452 0.069035 0.031351 0.059630 -0.027339 33O 1px 0.010552 -0.010298 -0.014973 0.022643 0.014482 0.025906 33O 1py -0.060218 0.018156 -0.057606 0.001319 0.033361 0.046736 33O 2pz 0.017153 0.015556 0.047192 0.120097 0.142319 0.023159 33O 2px 0.027012 -0.012403 0.026639 -0.019616 -0.039462 -0.004840 33O 2py -0.111468 0.009824 -0.158025 0.011789 0.052706 0.116944 33O 3pz -0.504111 -0.015778 0.182103 0.092985 0.407344 -0.090822 33O 3px 0.282414 0.312811 0.110575 -0.567164 -0.756437 -0.260062 33O 3py 0.079455 0.096996 0.674314 -0.030716 0.038345 -0.536693 33O 1dz2 0.002582 -0.000996 -0.001777 0.002730 -0.001031 0.001682 33O 1dxz -0.004621 -0.003036 0.001137 0.003883 0.008728 0.002656 33O 1dyz 0.001290 -0.000617 -0.002504 -0.000516 -0.001778 0.001635 33O 1dx2y2 0.001870 0.003419 0.001119 -0.005564 -0.005757 -0.000965 33O 1dxy -0.001107 0.001368 0.004494 -0.001409 0.001297 -0.002230 33O 2dz2 0.017533 0.000342 -0.001003 -0.005143 0.001554 -0.001115 33O 2dxz 0.008817 0.017239 0.024366 -0.031565 -0.027549 -0.024287 33O 2dyz 0.003166 0.000587 -0.009255 -0.014668 -0.001647 0.005039 33O 2dx2y2 0.000421 -0.013144 -0.004260 0.016026 0.015390 0.000859 33O 2dxy 0.002863 0.000640 0.000887 -0.014896 -0.006174 -0.000275 33O 1f0 0.000810 0.000625 0.000676 -0.000960 -0.001173 0.000230 33O 1f+1 0.000168 0.000180 0.000814 -0.001692 -0.001555 -0.000464 33O 1f-1 -0.000764 0.000197 0.001113 0.001330 0.000027 -0.000834 33O 1f+2 -0.000140 -0.001503 -0.001196 0.001688 0.002328 0.001584 33O 1f-2 -0.000092 0.000427 -0.000028 -0.000066 -0.000728 0.000155 33O 1f+3 -0.000219 -0.000880 -0.000247 0.001141 0.000899 0.000318 33O 1f-3 -0.000061 -0.000514 -0.000182 -0.000926 -0.000929 -0.000161 34O 1s 0.000816 0.005893 -0.006881 -0.004567 -0.002878 -0.007621 34O 2s 0.001659 0.013106 -0.016349 -0.011781 -0.005535 -0.018299 34O 3s 0.002569 0.009220 0.016957 0.025130 -0.016257 0.030225 34O 4s -0.046415 -0.176643 0.100561 -0.029840 0.154428 0.136689 34O 5s 0.206563 -0.672391 0.346422 0.529098 -0.200814 -1.084519 34O 1pz 0.040050 -0.026993 0.060310 0.039581 -0.022783 0.005639 34O 1px 0.001844 -0.007579 0.028913 0.046066 -0.045200 0.083114 34O 1py 0.028189 0.050896 -0.009146 -0.013514 0.056967 0.014029 34O 2pz 0.095517 -0.035786 0.142939 0.062909 -0.041452 0.011731 34O 2px 0.006229 -0.112936 0.061754 0.089371 -0.044543 -0.013631 34O 2py 0.072760 0.112443 -0.000375 -0.010343 0.083844 0.073089 34O 3pz -0.233193 0.096532 -0.368595 -0.169018 0.083685 0.103044 34O 3px 0.074663 -0.777960 0.339168 0.419547 0.177582 -0.596261 34O 3py -0.253100 -0.016850 -0.059390 -0.197285 -0.266049 -0.217190 34O 1dz2 -0.000249 -0.005360 0.002398 0.002222 0.001131 -0.002835 34O 1dxz -0.000682 -0.001089 0.001172 0.001942 0.000203 -0.003347 34O 1dyz 0.000545 -0.000001 0.000551 0.001913 -0.000281 -0.000337 34O 1dx2y2 -0.000272 0.008271 -0.002514 -0.004086 -0.001784 0.004997 34O 1dxy 0.000738 -0.003313 0.001570 0.001887 0.002126 0.003306 34O 2dz2 0.010317 0.016026 -0.000310 0.008696 -0.010638 0.033807 34O 2dxz 0.000736 0.002621 -0.000133 -0.002430 -0.002434 0.001930 34O 2dyz -0.007100 -0.000880 0.009024 0.011585 -0.012047 -0.010562 34O 2dx2y2 0.008222 -0.025833 0.007926 0.019064 0.010493 -0.040515 34O 2dxy 0.002680 0.010265 0.006913 0.002913 -0.010791 0.021713 34O 1f0 -0.000062 -0.000340 -0.000055 -0.001004 0.000646 0.000043 34O 1f+1 0.000159 0.002127 -0.000450 -0.001800 -0.000558 0.002000 34O 1f-1 0.000080 -0.000567 -0.000265 0.000349 0.000319 0.000114 34O 1f+2 -0.000210 -0.000261 -0.000029 -0.001098 -0.000170 0.000871 34O 1f-2 -0.000382 -0.000512 0.000290 -0.000112 -0.000530 0.000105 34O 1f+3 -0.000172 0.002408 -0.000946 -0.000671 -0.000665 0.002343 34O 1f-3 -0.000163 -0.001837 0.000705 0.000821 -0.000048 -0.002094 35O 1s -0.008823 -0.001229 0.007767 -0.003073 0.006424 -0.002271 35O 2s -0.021184 -0.001736 0.019327 -0.007895 0.015440 -0.005534 35O 3s 0.028125 -0.020059 -0.040574 0.020936 -0.015758 0.016030 35O 4s 0.155796 0.121296 -0.044998 -0.015371 -0.093120 0.039514 35O 5s -0.566321 0.021777 0.345935 -0.324474 -0.359280 -0.893787 35O 1pz 0.057864 -0.049175 0.001813 -0.026773 -0.063562 -0.008193 35O 1px 0.106886 -0.044316 -0.060190 0.049958 -0.019880 0.028774 35O 1py -0.026651 -0.033816 -0.042653 0.021683 -0.056898 -0.021558 35O 2pz 0.108854 -0.072354 0.027119 -0.089130 -0.111599 -0.026991 35O 2px 0.123214 -0.023358 -0.002594 0.016432 -0.070771 -0.055494 35O 2py -0.118630 -0.021922 -0.054358 -0.010532 -0.127815 -0.074150 35O 3pz -0.173404 0.203367 -0.017300 0.434796 0.254438 -0.066340 35O 3px -0.314826 0.270463 0.180152 -0.092575 -0.403893 -0.619410 35O 3py 0.408818 0.119025 0.249024 0.137066 0.092233 -0.123615 35O 1dz2 -0.000065 0.002427 0.000863 -0.001155 -0.003755 -0.003925 35O 1dxz -0.000878 -0.001678 0.000938 -0.001185 0.000288 -0.001284 35O 1dyz 0.000174 -0.000139 0.001775 -0.002023 0.000655 0.000342 35O 1dx2y2 0.001131 -0.002407 -0.002445 0.000478 0.005130 0.004993 35O 1dxy -0.002785 -0.002615 0.000761 0.000146 0.004887 0.002000 35O 2dz2 0.016830 -0.003601 -0.012505 0.007960 0.004887 0.036308 35O 2dxz -0.005662 0.007237 0.012823 -0.006944 0.002563 -0.010744 35O 2dyz -0.018658 0.015556 0.004592 -0.004570 0.007383 0.000897 35O 2dx2y2 -0.014827 0.013360 0.025682 -0.013063 -0.000469 -0.022721 35O 2dxy -0.018506 0.018197 0.025879 -0.016521 -0.000810 -0.021864 35O 1f0 -0.000022 -0.000231 -0.000206 -0.000163 0.000332 0.000234 35O 1f+1 0.000550 -0.000085 -0.000738 0.000600 0.000826 0.001794 35O 1f-1 0.000441 -0.000616 -0.000327 0.001460 0.000413 -0.000209 35O 1f+2 0.000006 -0.000204 0.000123 -0.000453 -0.000715 -0.000893 35O 1f-2 -0.000005 0.000272 0.000256 0.000767 0.000104 -0.001003 35O 1f+3 0.001066 -0.001003 -0.000641 0.000508 0.000271 0.000641 35O 1f-3 0.000552 -0.000578 -0.001517 0.000130 0.000947 0.003152 210 211 212 213 214 215 0.52121 0.53149 0.53974 0.54543 0.55578 0.56252 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s -0.000431 -0.000772 0.003053 0.000719 0.009156 -0.003617 0Rh 2s 0.001515 0.003757 -0.009957 -0.001085 -0.030627 0.013972 0Rh 3s -0.001573 -0.002176 0.011638 0.003520 0.034435 -0.012449 0Rh 4s -0.006724 -0.017216 0.043904 0.004104 0.135595 -0.062965 0Rh 5s 0.004506 0.021750 -0.022387 0.011065 -0.076773 0.056780 0Rh 6s 0.016823 0.001279 -0.140230 -0.066944 -0.405551 0.096788 0Rh 7s -0.061681 0.176775 0.600631 0.236424 1.434487 0.139106 0Rh 8s -0.123040 -0.582476 0.488213 0.499159 3.102352 -0.711474 0Rh 1pz 0.001445 -0.003078 -0.001588 -0.002816 -0.005662 0.002058 0Rh 1px -0.000123 -0.000963 0.001778 0.000908 0.012220 -0.007204 0Rh 1py 0.000571 0.000677 0.003695 -0.005478 0.004024 -0.002916 0Rh 2pz -0.005096 0.009658 0.005696 0.009547 0.019750 -0.007379 0Rh 2px 0.000517 0.003225 -0.006420 -0.002798 -0.042813 0.025089 0Rh 2py -0.002294 -0.002193 -0.012032 0.019046 -0.014352 0.010084 0Rh 3pz 0.006700 0.009883 -0.009334 -0.004972 -0.021523 0.012069 0Rh 3px -0.002261 -0.000884 0.011205 -0.004124 0.050191 -0.026860 0Rh 3py 0.008303 -0.000839 -0.003124 -0.019298 0.021679 -0.009372 0Rh 4pz -0.001477 -0.084556 0.009002 -0.029113 -0.014010 -0.012144 0Rh 4px 0.006193 -0.012750 -0.011913 0.031107 0.016643 -0.017071 0Rh 4py -0.020961 0.014255 0.070186 -0.022068 -0.013527 -0.012674 0Rh 5pz 0.022164 0.125432 -0.035387 0.046504 -0.026123 0.055294 0Rh 5px -0.013061 0.013469 0.044444 -0.069842 0.088558 -0.054715 0Rh 5py 0.043533 -0.023280 -0.090680 0.031624 0.072369 -0.009546 0Rh 6pz -0.366004 -0.171654 0.020259 -0.507556 0.649800 -0.458664 0Rh 6px 0.063964 0.203360 -0.813533 0.625899 -2.003080 1.051123 0Rh 6py 0.029430 -0.003706 -0.111986 -1.445927 -1.088522 0.412725 0Rh 1dz2 -0.001989 0.015875 -0.002792 0.003555 0.015968 0.008794 0Rh 1dxz 0.001402 -0.029648 0.012634 -0.003470 0.016184 0.005009 0Rh 1dyz -0.013520 -0.005555 -0.009894 -0.000934 0.005966 0.002954 0Rh 1dx2y2 0.005352 -0.012994 -0.015883 0.010708 -0.027287 -0.012227 0Rh 1dxy -0.013336 0.000209 0.025053 -0.005076 -0.016872 -0.005437 0Rh 2dz2 0.000172 -0.001878 0.000414 -0.000474 -0.001190 -0.000344 0Rh 2dxz -0.000026 0.002976 -0.000780 0.000323 -0.001024 -0.000956 0Rh 2dyz 0.001211 0.000424 0.001768 0.000621 -0.000502 -0.000456 0Rh 2dx2y2 -0.000284 0.001682 0.001571 -0.001706 0.001243 0.001783 0Rh 2dxy 0.001267 0.000205 -0.002656 -0.001616 0.001230 0.000606 0Rh 3dz2 0.003004 -0.022252 0.003587 -0.004936 -0.025467 -0.015177 0Rh 3dxz -0.002516 0.044012 -0.020860 0.005294 -0.026683 -0.005444 0Rh 3dyz 0.020592 0.008745 0.011324 -0.000801 -0.009313 -0.003653 0Rh 3dx2y2 -0.008939 0.017563 0.023623 -0.013305 0.046924 0.015697 0Rh 3dxy 0.019946 -0.001114 -0.036485 0.016511 0.027148 0.007802 0Rh 4dz2 0.003782 -0.043772 0.009685 -0.009230 -0.033402 -0.015425 0Rh 4dxz -0.002330 0.072787 -0.024853 0.007203 -0.030640 -0.018522 0Rh 4dyz 0.029261 0.011725 0.035859 0.009743 -0.013712 -0.010347 0Rh 4dx2y2 -0.010165 0.037961 0.038650 -0.033547 0.046639 0.037689 0Rh 4dxy 0.031300 0.002229 -0.063776 -0.018930 0.034262 0.014083 0Rh 5dz2 0.015539 0.046420 -0.034084 -0.007651 0.001499 0.005104 0Rh 5dxz 0.003353 -0.017385 -0.004587 0.014186 -0.019423 0.043367 0Rh 5dyz 0.038194 0.009414 -0.094853 -0.045958 0.016980 0.037537 0Rh 5dx2y2 -0.005067 -0.055539 -0.021016 0.032706 0.045428 -0.065730 0Rh 5dxy 0.008169 -0.014122 0.022610 0.182993 0.024515 -0.015402 0Rh 1f0 0.002789 -0.005357 -0.003473 -0.004011 0.009319 0.007131 0Rh 1f+1 -0.002299 -0.005588 -0.003868 0.002183 -0.003452 -0.002951 0Rh 1f-1 0.005484 0.003555 -0.005767 -0.006875 -0.000617 0.004153 0Rh 1f+2 0.003866 -0.001050 -0.003766 -0.004470 -0.006119 -0.008948 0Rh 1f-2 -0.003869 0.001523 0.002096 0.003644 -0.005019 -0.008674 0Rh 1f+3 0.001186 0.001814 -0.006046 -0.000707 -0.008697 -0.007089 0Rh 1f-3 0.001027 -0.003117 0.000394 0.001988 -0.008500 0.001125 1Rh 1s 0.000488 0.000756 -0.003098 0.000906 -0.009120 -0.003545 1Rh 2s -0.001699 -0.003732 0.010165 -0.001730 0.030520 0.013723 1Rh 3s 0.001794 0.002096 -0.011773 0.004213 -0.034294 -0.012182 1Rh 4s 0.007537 0.017123 -0.044856 0.006972 -0.135129 -0.061862 1Rh 5s -0.004906 -0.022019 0.023533 0.009238 0.076620 0.056100 1Rh 6s -0.019420 0.000342 0.140505 -0.074612 0.403752 0.093689 1Rh 7s 0.069836 -0.185804 -0.592409 0.261987 -1.433493 0.151256 1Rh 8s 0.121700 0.584004 -0.492477 0.551498 -3.081491 -0.688819 1Rh 1pz 0.001507 -0.002978 -0.001497 0.003033 -0.005408 -0.002089 1Rh 1px -0.000172 -0.000919 0.001909 -0.001055 0.012213 0.007133 1Rh 1py 0.000497 0.000630 0.003832 0.005367 0.004026 0.002937 1Rh 2pz -0.005307 0.009315 0.005391 -0.010324 0.018877 0.007486 1Rh 2px 0.000695 0.003076 -0.006885 0.003316 -0.042793 -0.024832 1Rh 2py -0.002034 -0.002028 -0.012509 -0.018664 -0.014358 -0.010168 1Rh 3pz 0.006882 0.010140 -0.009246 0.006208 -0.020787 -0.012191 1Rh 3px -0.002564 -0.000831 0.011822 0.003425 0.050239 0.026469 1Rh 3py 0.007995 -0.001003 -0.002583 0.019037 0.021629 0.009670 1Rh 4pz -0.001136 -0.083833 0.010241 0.028115 -0.012473 0.012082 1Rh 4px 0.006537 -0.012206 -0.012042 -0.030982 0.016373 0.017343 1Rh 4py -0.021060 0.014056 0.070444 0.021229 -0.013226 0.011899 1Rh 5pz 0.021971 0.124605 -0.037847 -0.042106 -0.028018 -0.055613 1Rh 5px -0.014628 0.012567 0.046228 0.068219 0.088870 0.053205 1Rh 5py 0.043295 -0.023072 -0.090136 -0.031497 0.071064 0.011555 1Rh 6pz -0.363992 -0.160133 0.055797 0.453574 0.697427 0.482709 1Rh 6px 0.081010 0.214064 -0.830318 -0.595564 -1.993325 -1.018456 1Rh 6py 0.020929 -0.010784 -0.107850 1.473147 -1.060581 -0.436025 1Rh 1dz2 0.002053 -0.015583 0.001799 0.003372 -0.015729 0.008575 1Rh 1dxz -0.001425 0.029756 -0.013040 -0.002461 -0.016306 0.005328 1Rh 1dyz 0.013433 0.005518 0.010497 -0.000915 -0.005916 0.002953 1Rh 1dx2y2 -0.005023 0.013027 0.015024 0.010231 0.027665 -0.012368 1Rh 1dxy 0.013404 -0.000188 -0.025198 -0.004763 0.016802 -0.005267 1Rh 2dz2 -0.000172 0.001850 -0.000252 -0.000429 0.001164 -0.000330 1Rh 2dxz 0.000017 -0.003025 0.000823 0.000232 0.000993 -0.000987 1Rh 2dyz -0.001215 -0.000439 -0.001844 0.000631 0.000490 -0.000436 1Rh 2dx2y2 0.000239 -0.001706 -0.001447 -0.001703 -0.001328 0.001806 1Rh 2dxy -0.001271 -0.000192 0.002639 -0.001661 -0.001265 0.000588 1Rh 3dz2 -0.003126 0.021813 -0.002363 -0.004777 0.025116 -0.014819 1Rh 3dxz 0.002594 -0.044014 0.021464 0.003746 0.027047 -0.005926 1Rh 3dyz -0.020411 -0.008609 -0.012157 -0.000879 0.009272 -0.003737 1Rh 3dx2y2 0.008505 -0.017525 -0.022504 -0.012411 -0.047289 0.015875 1Rh 3dxy -0.020057 0.001024 0.036833 0.016103 -0.026865 0.007554 1Rh 4dz2 -0.003852 0.043092 -0.006470 -0.008390 0.032819 -0.014960 1Rh 4dxz 0.002217 -0.073549 0.025793 0.004899 0.030302 -0.019311 1Rh 4dyz -0.029228 -0.011918 -0.037536 0.009896 0.013395 -0.010046 1Rh 4dx2y2 0.009202 -0.038352 -0.036069 -0.032976 -0.048207 0.038156 1Rh 4dxy -0.031395 -0.002091 0.063658 -0.019899 -0.034749 0.013662 1Rh 5dz2 -0.015841 -0.046403 0.029930 -0.009839 -0.001542 0.004524 1Rh 5dxz -0.002399 0.019630 0.005413 0.013936 0.023003 0.044308 1Rh 5dyz -0.037058 -0.007399 0.096459 -0.047757 -0.014114 0.035406 1Rh 5dx2y2 0.006127 0.057495 0.018118 0.034674 -0.041499 -0.066460 1Rh 5dxy -0.008859 0.013472 -0.020119 0.184266 -0.019937 -0.015821 1Rh 1f0 0.002816 -0.005470 -0.003478 0.003819 0.009149 -0.007035 1Rh 1f+1 -0.002343 -0.005650 -0.003852 -0.002268 -0.003522 0.003145 1Rh 1f-1 0.005354 0.003521 -0.005740 0.007087 -0.000489 -0.004103 1Rh 1f+2 0.003824 -0.001058 -0.003612 0.004592 -0.006241 0.009003 1Rh 1f-2 -0.003821 0.001648 0.002213 -0.003537 -0.005020 0.008619 1Rh 1f+3 0.001099 0.001742 -0.005841 0.000900 -0.008688 0.007237 1Rh 1f-3 0.000953 -0.003150 0.000381 -0.001940 -0.008699 -0.001056 2C 1s 0.005129 0.007318 -0.000716 -0.000114 0.002331 -0.010727 2C 2s 0.012502 0.020031 -0.004066 0.000018 0.006473 -0.027048 2C 3s -0.012950 -0.089118 0.068205 0.022801 -0.029075 0.032109 2C 4s -0.043547 0.576412 -0.715196 -0.128056 0.170247 -0.115912 2C 5s -2.256721 -7.074098 6.440367 -1.465886 -2.130948 10.191194 2C 1pz -0.033947 0.038155 -0.048300 -0.017755 0.029561 -0.053513 2C 1px 0.138294 -0.000614 0.020771 0.047943 -0.073697 0.045673 2C 1py 0.029795 0.030579 -0.010522 0.020021 -0.001471 -0.025560 2C 2pz -0.096912 0.283539 -0.309438 -0.141324 0.153486 -0.211397 2C 2px 0.510876 0.024219 0.072377 0.177590 -0.249509 0.153502 2C 2py 0.112753 0.249313 -0.120892 0.014577 0.042968 -0.104127 2C 3pz -0.294437 -1.692250 1.364228 -0.314433 -0.768247 2.791719 2C 3px -1.145093 -0.768077 0.698181 -0.470573 0.590948 0.701089 2C 3py -0.637395 -0.889690 0.880579 -0.647031 -0.283511 1.744256 2C 1dz2 0.000709 -0.001688 0.002001 -0.000174 -0.000255 0.005155 2C 1dxz -0.002455 -0.002842 0.001603 -0.002146 -0.000629 0.004210 2C 1dyz -0.001524 -0.000578 0.000019 -0.001244 0.000037 0.004163 2C 1dx2y2 -0.001301 0.002830 -0.003009 0.001348 0.002341 -0.005233 2C 1dxy -0.001908 0.000131 -0.002830 -0.003282 0.000177 0.000342 2C 2dz2 0.047280 0.069012 0.045011 -0.018295 -0.031997 0.001429 2C 2dxz -0.058226 0.103999 -0.091475 -0.016734 0.084798 -0.085685 2C 2dyz 0.011983 -0.013410 -0.020680 -0.039831 0.021794 0.004052 2C 2dx2y2 -0.039021 -0.012605 0.079805 -0.004598 0.030792 0.042221 2C 2dxy -0.050730 0.032472 -0.010109 0.035713 0.055811 -0.034815 2C 1f0 0.005395 -0.002976 0.003935 -0.002346 -0.004784 0.007691 2C 1f+1 0.002239 0.002097 -0.003837 0.000888 -0.000214 -0.001681 2C 1f-1 -0.004602 0.002627 -0.003991 -0.006501 0.002727 0.001728 2C 1f+2 -0.002295 0.004043 -0.001935 0.001984 0.004272 -0.009875 2C 1f-2 -0.006508 -0.000350 -0.001287 -0.000387 0.002113 0.005615 2C 1f+3 0.004562 0.009476 -0.002215 0.002635 0.002619 -0.010437 2C 1f-3 0.007399 0.000192 0.000257 0.001346 -0.003575 -0.000155 3C 1s -0.002803 0.006869 0.007586 -0.010803 -0.003930 -0.004027 3C 2s -0.007345 0.018834 0.020522 -0.026672 -0.010070 -0.009326 3C 3s 0.021625 -0.084272 -0.092244 0.047680 0.019052 -0.006342 3C 4s -0.156003 0.584261 0.530978 -0.013115 -0.011468 0.063952 3C 5s 2.426967 -6.905728 -5.850212 2.840423 2.307974 3.838062 3C 1pz 0.040948 0.028321 0.044546 -0.007922 0.016523 -0.002457 3C 1px -0.147671 -0.001245 -0.034160 -0.025543 -0.062512 0.002250 3C 1py -0.010109 -0.050272 -0.035041 0.010859 -0.014268 0.030451 3C 2pz 0.115838 0.203785 0.306702 -0.109437 0.046624 -0.008580 3C 2px -0.542010 0.055811 -0.057182 -0.201495 -0.238237 0.012748 3C 2py 0.009177 -0.348059 -0.283992 0.134190 -0.030721 0.082280 3C 3pz -0.181568 -0.793536 -0.653533 0.414446 0.166830 0.253859 3C 3px 1.272793 -0.874138 -0.381696 0.133395 0.783971 0.495436 3C 3py -0.412866 1.716527 1.507574 -0.913495 -0.458149 -1.287370 3C 1dz2 -0.000959 -0.001365 -0.000448 -0.000093 -0.000575 0.000015 3C 1dxz -0.000077 -0.001744 -0.001849 0.000304 -0.001200 0.001102 3C 1dyz 0.000719 -0.000937 -0.000219 0.000656 -0.001294 -0.001463 3C 1dx2y2 0.000484 0.004188 0.002861 0.000320 0.000021 -0.003239 3C 1dxy -0.003361 0.001803 0.000438 -0.004346 -0.001207 -0.002011 3C 2dz2 -0.023834 0.042311 -0.081775 0.022146 0.005887 -0.010643 3C 2dxz 0.000916 0.076995 0.040973 0.019492 0.009585 -0.010672 3C 2dyz 0.036028 -0.006632 0.044374 0.045526 0.013001 -0.016872 3C 2dx2y2 0.071506 -0.018193 -0.043462 0.040435 0.058218 0.013547 3C 2dxy -0.069880 -0.083587 -0.107532 0.077786 -0.056698 0.027455 3C 1f0 0.000988 -0.004312 -0.008108 0.005752 0.002274 0.000766 3C 1f+1 -0.006652 -0.001846 -0.004758 0.000390 -0.002382 0.000562 3C 1f-1 0.001200 -0.003418 -0.002394 0.003273 0.001129 0.002603 3C 1f+2 -0.004440 0.006121 0.003790 -0.009785 -0.004168 -0.005121 3C 1f-2 0.001865 0.001783 0.002238 -0.001358 -0.000951 -0.002720 3C 1f+3 0.003506 0.006603 0.004626 -0.003051 0.002629 -0.001379 3C 1f-3 0.009743 -0.000676 0.003214 0.001319 0.004403 0.000521 4C 1s 0.002045 0.003356 -0.009225 0.000677 0.000462 0.003804 4C 2s 0.004266 0.005555 -0.019446 0.001674 0.000647 0.008942 4C 3s 0.014052 0.054855 0.032065 -0.026971 0.000134 0.058857 4C 4s -0.223748 -0.684484 0.341340 -0.002949 -0.099275 -0.213406 4C 5s 1.857443 5.204990 -5.396565 1.327259 1.434413 -7.660212 4C 1pz 0.056176 -0.003823 -0.031731 0.031621 -0.014094 -0.015145 4C 1px -0.167684 -0.010716 -0.042634 -0.024621 0.086814 -0.093193 4C 1py -0.045625 0.056451 0.027655 0.008021 -0.000335 -0.038212 4C 2pz 0.040361 0.066490 -0.261834 -0.107268 0.178811 -0.325610 4C 2px -0.055569 0.043216 0.099098 0.390049 -0.267528 -0.001062 4C 2py -0.023069 0.226076 -0.046247 0.070223 0.006457 -0.239280 4C 3pz -1.309369 -2.299929 2.173659 -0.983796 -0.467421 4.897325 4C 3px 0.163058 -0.090347 0.103435 -0.317918 -1.521337 1.155104 4C 3py -0.490654 -2.057970 0.914408 -0.593597 -0.705183 3.354703 4C 1dz2 -0.007155 0.002060 -0.006586 -0.005194 0.006863 -0.000570 4C 1dxz 0.007813 0.001477 0.002357 0.002469 -0.012853 0.009127 4C 1dyz -0.002474 -0.002818 0.000970 -0.005642 -0.000978 0.007637 4C 1dx2y2 0.001801 -0.003766 0.004444 0.001593 -0.000827 -0.003028 4C 1dxy 0.006063 -0.003851 0.006522 0.006301 -0.009648 0.004742 4C 2dz2 -0.079600 -0.160536 0.132563 -0.102354 0.039450 0.069832 4C 2dxz 0.132670 -0.031671 0.151418 0.219512 -0.183128 0.140258 4C 2dyz -0.025362 -0.113083 0.110907 0.066149 0.018113 -0.025082 4C 2dx2y2 0.001214 0.061212 -0.164809 0.009931 0.009011 -0.130271 4C 2dxy 0.087306 0.054718 0.005825 0.138131 -0.113548 -0.028798 4C 1f0 0.000458 -0.001483 0.001990 -0.002957 0.000397 0.008768 4C 1f+1 0.002432 -0.002326 0.007298 -0.001804 -0.004706 0.017001 4C 1f-1 -0.002498 0.001758 -0.003953 -0.007656 0.005694 0.001077 4C 1f+2 -0.006885 -0.004896 -0.009092 -0.004398 0.006121 -0.015848 4C 1f-2 0.006348 0.001084 0.001791 0.005182 -0.008913 0.003870 4C 1f+3 -0.006089 -0.000525 -0.004629 -0.011810 0.005420 -0.003871 4C 1f-3 -0.006499 -0.004503 0.004070 -0.014365 0.005098 0.012559 5C 1s -0.003087 0.009026 0.001750 -0.004057 0.001684 0.009348 5C 2s -0.006602 0.018585 0.001725 -0.009670 0.004250 0.021822 5C 3s 0.003982 0.010718 0.089914 0.071236 -0.037400 -0.024127 5C 4s 0.139767 -0.650366 -0.828547 -0.258752 0.217267 -0.149608 5C 5s -2.120202 5.813313 4.108924 -2.842321 -1.166758 -2.886798 5C 1pz -0.062983 -0.047009 0.039411 0.020953 -0.038791 -0.030198 5C 1px 0.168950 0.001016 0.032052 0.037973 0.077610 -0.043250 5C 1py 0.020606 -0.040743 0.009671 -0.049938 0.009031 0.044648 5C 2pz -0.065506 0.058880 0.253650 -0.035606 0.031667 -0.092782 5C 2px 0.047144 -0.002523 -0.189934 -0.373057 -0.255672 -0.069992 5C 2py 0.033111 -0.206399 -0.079121 0.095041 -0.056480 0.121528 5C 3pz 0.690351 -1.053060 -1.467481 0.478156 1.097668 1.439501 5C 3px -0.096333 -0.530963 -1.026489 0.755937 -0.715969 0.745558 5C 3py -0.705410 2.500431 1.730979 -0.768020 -1.414652 -2.056673 5C 1dz2 0.003151 0.003254 0.006059 0.003597 0.003310 -0.002687 5C 1dxz -0.003987 0.000863 -0.001288 0.006724 -0.003239 -0.001052 5C 1dyz -0.005074 0.002550 0.000524 -0.002987 -0.006888 -0.001437 5C 1dx2y2 -0.004509 -0.006872 -0.010313 -0.008174 -0.009104 0.004624 5C 1dxy 0.009310 0.003104 0.008421 0.002739 0.008438 -0.000411 5C 2dz2 0.056919 -0.005340 0.079166 0.100963 0.036829 0.036103 5C 2dxz -0.036647 -0.107915 -0.072796 -0.081527 -0.136460 0.038517 5C 2dyz -0.093039 0.091396 0.040594 -0.049320 -0.070431 0.019480 5C 2dx2y2 -0.123904 0.184740 0.072940 -0.220874 -0.066781 -0.063243 5C 2dxy 0.067299 0.076923 0.132790 0.098521 0.155853 -0.034394 5C 1f0 -0.004040 -0.004854 -0.005748 0.000525 -0.005637 0.004023 5C 1f+1 0.007216 -0.003716 0.004495 0.011153 0.004166 0.003316 5C 1f-1 -0.002906 0.000485 -0.006832 -0.004300 -0.003017 -0.000461 5C 1f+2 0.002650 -0.002928 -0.001208 0.002166 0.000249 -0.000720 5C 1f-2 0.007528 0.002467 0.002278 0.007955 0.013297 -0.003708 5C 1f+3 0.003510 -0.001099 0.004879 0.013633 0.000350 0.005135 5C 1f-3 -0.003580 0.002306 -0.004449 -0.008802 -0.001622 -0.005269 6C 1s 0.003046 -0.008848 -0.001619 -0.003966 -0.001659 0.009322 6C 2s 0.006515 -0.018189 -0.001429 -0.009450 -0.004204 0.021713 6C 3s -0.005356 -0.011315 -0.089135 0.068933 0.037652 -0.019730 6C 4s -0.129287 0.644424 0.816130 -0.245857 -0.224158 -0.183532 6C 5s 2.183481 -5.733219 -4.160671 -2.855315 1.223348 -2.822041 6C 1pz -0.063697 -0.047053 0.038415 -0.021862 -0.039087 0.029987 6C 1px 0.170408 0.003594 0.031851 -0.040372 0.075955 0.043704 6C 1py 0.021548 -0.041209 0.008887 0.048095 0.010069 -0.044052 6C 2pz -0.066772 0.058018 0.254059 0.030218 0.032872 0.090676 6C 2px 0.043757 -0.008273 -0.184312 0.378824 -0.256884 0.074002 6C 2py 0.035232 -0.205860 -0.082898 -0.093661 -0.056019 -0.122881 6C 3pz 0.710714 -1.029197 -1.474327 -0.504636 1.137116 -1.400331 6C 3px -0.084565 -0.519212 -1.031245 -0.749164 -0.696956 -0.704885 6C 3py -0.745041 2.463415 1.764165 0.832430 -1.478150 1.981565 6C 1dz2 -0.003212 -0.003386 -0.006147 0.003677 -0.003265 -0.002552 6C 1dxz 0.003955 -0.000843 0.001342 0.006693 0.003381 -0.001087 6C 1dyz 0.005186 -0.002440 -0.000465 -0.003234 0.006841 -0.001283 6C 1dx2y2 0.004715 0.007044 0.010188 -0.008491 0.008994 0.004550 6C 1dxy -0.009320 -0.003227 -0.008341 0.002899 -0.008216 -0.000228 6C 2dz2 -0.058582 0.003962 -0.074285 0.100843 -0.037000 0.039885 6C 2dxz 0.037909 0.108426 0.073693 -0.087147 0.133627 0.041072 6C 2dyz 0.092474 -0.088669 -0.042058 -0.050231 0.072812 0.019909 6C 2dx2y2 0.125677 -0.180291 -0.074870 -0.219585 0.065923 -0.065932 6C 2dxy -0.070919 -0.079150 -0.132481 0.104603 -0.157751 -0.035108 6C 1f0 -0.004097 -0.004929 -0.005858 -0.000253 -0.005790 -0.004105 6C 1f+1 0.007469 -0.003445 0.004258 -0.011170 0.004267 -0.003565 6C 1f-1 -0.002973 0.000432 -0.006675 0.004434 -0.003013 0.000598 6C 1f+2 0.002624 -0.002866 -0.001202 -0.002234 0.000282 0.000819 6C 1f-2 0.007561 0.002651 0.002276 -0.008416 0.013137 0.003991 6C 1f+3 0.003758 -0.000977 0.004607 -0.013554 0.000267 -0.005477 6C 1f-3 -0.003797 0.002160 -0.004287 0.008639 -0.001674 0.005687 7C 1s -0.002078 -0.003458 0.009233 0.000591 -0.000591 0.003684 7C 2s -0.004342 -0.005775 0.019471 0.001561 -0.000927 0.008670 7C 3s -0.014296 -0.053688 -0.031319 -0.029996 0.000253 0.061184 7C 4s 0.224416 0.682560 -0.342700 0.025877 0.102066 -0.223547 7C 5s -1.818731 -5.244693 5.280105 1.161734 -1.451995 -7.706408 7C 1pz 0.054721 -0.003653 -0.033003 -0.030554 -0.014968 0.015461 7C 1px -0.166278 -0.009325 -0.040647 0.024140 0.088329 0.093911 7C 1py -0.046553 0.056815 0.029332 -0.006961 -0.000415 0.037614 7C 2pz 0.038973 0.068165 -0.255299 0.110447 0.184283 0.329852 7C 2px -0.055780 0.041682 0.092708 -0.390210 -0.280941 0.001050 7C 2py -0.024932 0.224253 -0.042144 -0.067843 0.004332 0.240816 7C 3pz -1.280077 -2.320485 2.104350 0.873805 -0.480796 -4.896522 7C 3px 0.163218 -0.089770 0.091349 0.319114 -1.509794 -1.139447 7C 3py -0.469551 -2.071415 0.853825 0.528463 -0.714317 -3.358026 7C 1dz2 0.007057 -0.001994 0.006352 -0.005199 -0.006981 -0.000618 7C 1dxz -0.007629 -0.001288 -0.002191 0.002404 0.013019 0.009188 7C 1dyz 0.002434 0.002889 -0.000768 -0.005491 0.000872 0.007502 7C 1dx2y2 -0.001783 0.003826 -0.004551 0.001703 0.000874 -0.002963 7C 1dxy -0.006118 0.003917 -0.006454 0.006447 0.009829 0.004821 7C 2dz2 0.080261 0.157351 -0.130628 -0.099692 -0.043586 0.073401 7C 2dxz -0.132568 0.031895 -0.142862 0.217500 0.191325 0.143285 7C 2dyz 0.026065 0.112546 -0.112414 0.069551 -0.015275 -0.023324 7C 2dx2y2 -0.002489 -0.062942 0.165575 0.007801 -0.010847 -0.134092 7C 2dxy -0.085183 -0.053776 -0.002744 0.137298 0.119530 -0.030592 7C 1f0 0.000496 -0.001578 0.001843 0.002987 0.000311 -0.008919 7C 1f+1 0.002456 -0.002430 0.007032 0.001928 -0.004695 -0.017217 7C 1f-1 -0.002438 0.001719 -0.003821 0.007750 0.005931 -0.001113 7C 1f+2 -0.006876 -0.004659 -0.008750 0.004263 0.006540 0.016090 7C 1f-2 0.006316 0.000957 0.001558 -0.005111 -0.009238 -0.003935 7C 1f+3 -0.006062 -0.000556 -0.004377 0.011748 0.005695 0.003927 7C 1f-3 -0.006430 -0.004495 0.004163 0.014402 0.005480 -0.012844 8C 1s 0.002898 -0.006580 -0.007783 -0.010900 0.003816 -0.003834 8C 2s 0.007549 -0.018131 -0.020966 -0.026912 0.009804 -0.008801 8C 3s -0.020658 0.083269 0.092069 0.047519 -0.018563 -0.008220 8C 4s 0.145958 -0.584719 -0.525255 -0.007002 0.015757 0.070592 8C 5s -2.472591 6.816243 5.895772 2.901065 -2.416936 3.689048 8C 1pz 0.041256 0.028108 0.044975 0.007531 0.016330 0.001712 8C 1px -0.149347 -0.003052 -0.033888 0.026964 -0.061763 -0.001692 8C 1py -0.010474 -0.049829 -0.035673 -0.009937 -0.013907 -0.030587 8C 2pz 0.118974 0.201535 0.306203 0.106867 0.048096 0.004492 8C 2px -0.547561 0.047723 -0.055555 0.206490 -0.234097 -0.012406 8C 2py 0.005617 -0.343546 -0.288222 -0.129863 -0.030293 -0.080070 8C 3pz -0.173035 -0.784573 -0.664233 -0.427419 0.176485 -0.224958 8C 3px 1.297286 -0.859659 -0.392295 -0.155012 0.803452 -0.494247 8C 3py -0.429994 1.687370 1.523981 0.926623 -0.481369 1.248975 8C 1dz2 0.001023 0.001412 0.000434 -0.000090 0.000647 0.000034 8C 1dxz 0.000043 0.001724 0.001846 0.000291 0.001092 0.001062 8C 1dyz -0.000659 0.000916 0.000249 0.000609 0.001307 -0.001439 8C 1dx2y2 -0.000503 -0.004134 -0.002937 0.000340 0.000062 -0.003213 8C 1dxy 0.003436 -0.001732 -0.000553 -0.004422 0.001178 -0.001982 8C 2dz2 0.024309 -0.042437 0.079510 0.021490 -0.005046 -0.012438 8C 2dxz -0.001237 -0.076326 -0.041412 0.019323 -0.007133 -0.010418 8C 2dyz -0.035424 0.005300 -0.043818 0.046335 -0.011034 -0.016855 8C 2dx2y2 -0.071643 0.016214 0.043774 0.040173 -0.056689 0.013302 8C 2dxy 0.070142 0.083378 0.109752 0.076324 0.055680 0.026038 8C 1f0 0.000828 -0.004232 -0.008287 -0.005796 0.002159 -0.000626 8C 1f+1 -0.006790 -0.001754 -0.004663 -0.000157 -0.002399 -0.000405 8C 1f-1 0.001256 -0.003277 -0.002276 -0.003260 0.001077 -0.002503 8C 1f+2 -0.004648 0.005815 0.003964 0.009904 -0.004186 0.004960 8C 1f-2 0.001721 0.001801 0.002405 0.001556 -0.001021 0.002699 8C 1f+3 0.003386 0.006620 0.004697 0.003078 0.002430 0.001374 8C 1f-3 0.009836 -0.000411 0.003181 -0.001331 0.004286 -0.000524 9C 1s -0.005330 -0.007157 0.000492 -0.000209 -0.002232 -0.010691 9C 2s -0.012950 -0.019653 0.003511 -0.000301 -0.006250 -0.026959 9C 3s 0.013239 0.088316 -0.067238 0.025494 0.029854 0.032244 9C 4s 0.048674 -0.576826 0.713104 -0.149265 -0.181679 -0.122177 9C 5s 2.199729 7.109883 -6.285829 -1.208614 2.181002 10.221721 9C 1pz -0.033164 0.037811 -0.046411 0.018765 0.029876 0.053877 9C 1px 0.137004 -0.001419 0.018442 -0.046977 -0.075350 -0.045891 9C 1py 0.029868 0.030494 -0.011002 -0.020459 -0.001873 0.026081 9C 2pz -0.092056 0.280315 -0.302781 0.148331 0.157318 0.214264 9C 2px 0.507041 0.020145 0.063635 -0.174592 -0.256867 -0.154962 9C 2py 0.114287 0.245784 -0.119276 -0.013041 0.041527 0.106761 9C 3pz -0.280219 -1.689862 1.302387 0.255187 -0.769095 -2.778688 9C 3px -1.129396 -0.770428 0.699412 0.430160 0.594624 -0.710033 9C 3py -0.636048 -0.917443 0.880503 0.620546 -0.283752 -1.774528 9C 1dz2 -0.000737 0.001694 -0.001884 -0.000085 0.000315 0.005065 9C 1dxz 0.002386 0.002807 -0.001601 -0.002057 0.000597 0.004176 9C 1dyz 0.001483 0.000610 0.000010 -0.001216 -0.000069 0.004221 9C 1dx2y2 0.001253 -0.002910 0.002876 0.001318 -0.002361 -0.005338 9C 1dxy 0.002004 -0.000096 0.002832 -0.003320 -0.000320 0.000295 9C 2dz2 -0.046626 -0.067054 -0.047548 -0.017109 0.031897 0.001223 9C 2dxz 0.056690 -0.103876 0.091031 -0.019050 -0.084074 -0.087364 9C 2dyz -0.013470 0.014206 0.021233 -0.040239 -0.021829 0.004814 9C 2dx2y2 0.038834 0.013334 -0.079284 -0.003053 -0.029062 0.043260 9C 2dxy 0.050590 -0.033339 0.007896 0.035912 -0.056523 -0.036111 9C 1f0 0.005197 -0.002985 0.003702 0.002213 -0.004635 -0.007661 9C 1f+1 0.002497 0.002003 -0.003771 -0.000810 -0.000430 0.001530 9C 1f-1 -0.004411 0.002573 -0.003913 0.006565 0.002887 -0.001638 9C 1f+2 -0.001950 0.004180 -0.001896 -0.002014 0.004178 0.010153 9C 1f-2 -0.006587 -0.000144 -0.001576 0.000424 0.002275 -0.005261 9C 1f+3 0.004308 0.009330 -0.002117 -0.002432 0.002633 0.010410 9C 1f-3 0.007633 0.000452 0.000267 -0.001415 -0.003617 0.000493 10H 1s -0.011902 0.030061 -0.023822 -0.001963 0.020782 -0.048115 10H 2s -0.281544 0.620056 -0.547182 -0.069670 0.458137 -0.913932 10H 3s 1.109844 0.649639 -0.719763 0.308336 -0.554099 -0.249850 10H 1pz -0.007429 0.010654 -0.012292 -0.000784 0.012266 -0.016995 10H 1px 0.013663 -0.013228 0.012356 -0.000533 -0.013504 0.023799 10H 1py -0.001364 0.011127 -0.004490 -0.001989 0.005703 -0.007209 11H 1s 0.015810 0.023207 -0.008726 -0.001037 0.001977 -0.018848 11H 2s 0.368449 0.326505 -0.218469 0.074015 -0.004635 -0.399488 11H 3s -0.389667 0.226794 -0.193802 -0.008190 0.328558 -0.215985 11H 1pz 0.009542 -0.001265 -0.010069 0.007571 0.001011 -0.017424 11H 1px 0.015998 -0.008023 0.007998 0.002453 -0.010878 0.004061 11H 1py 0.002445 0.001063 -0.010053 -0.002137 0.000682 -0.005198 12H 1s 0.023317 0.021757 -0.018849 -0.001356 -0.001907 -0.022203 12H 2s 0.487581 0.480310 -0.183709 0.090155 -0.033846 -0.431866 12H 3s -0.664278 0.364660 -0.522753 -0.497973 0.485518 -0.368877 12H 1pz -0.001892 0.012091 0.002049 0.008765 0.003274 -0.011652 12H 1px 0.014420 -0.002538 0.013276 0.003209 -0.009972 0.006839 12H 1py 0.013661 0.015166 0.005253 0.005306 -0.000803 -0.012566 13H 1s 0.009618 0.033016 0.030531 -0.021159 0.007548 -0.016851 13H 2s 0.275024 0.640651 0.719362 -0.327929 0.109613 -0.285040 13H 3s -1.323587 0.541507 0.152403 0.089726 -0.583301 -0.236406 13H 1pz 0.007740 0.013205 0.023454 -0.010471 0.002166 -0.007280 13H 1px -0.012732 -0.009268 -0.008904 -0.001596 -0.008608 0.005129 13H 1py -0.008069 -0.009210 -0.015635 0.001205 -0.000421 0.001300 14H 1s -0.027397 0.028891 0.019234 -0.022324 -0.014886 -0.011664 14H 2s -0.547215 0.407875 0.343385 -0.496554 -0.361342 -0.178243 14H 3s 0.641403 0.399261 0.495770 -0.138784 0.309006 -0.213563 14H 1pz -0.005355 0.006488 0.012634 -0.010925 -0.005479 -0.005868 14H 1px -0.019520 -0.003340 -0.002331 -0.018303 -0.015621 -0.001898 14H 1py 0.001705 0.002787 -0.005179 0.003008 0.002936 0.000324 15H 1s -0.012275 0.013645 0.019535 -0.014792 -0.010410 -0.009203 15H 2s -0.283383 0.388478 0.234044 -0.311956 -0.197635 -0.183889 15H 3s 0.229593 0.122224 0.353769 0.002648 0.012899 0.313281 15H 1pz 0.003351 0.012904 0.005844 0.000959 0.004055 -0.003911 15H 1px -0.010034 0.002100 -0.009730 -0.004841 -0.009920 -0.001012 15H 1py 0.005984 -0.016425 0.006844 0.005280 0.001175 0.008233 16H 1s -0.007423 0.006200 -0.019694 0.000366 0.024491 0.018112 16H 2s 0.033350 0.050046 0.076271 0.212066 0.398743 -0.083858 16H 3s 0.085596 -0.133736 0.448699 -0.397390 -0.183653 -0.524576 16H 1pz 0.007756 -0.000331 0.015907 0.013809 0.010390 -0.015445 16H 1px -0.008131 -0.006463 -0.006906 -0.033202 0.000704 0.003250 16H 1py 0.002338 0.002266 0.012701 0.010210 0.017629 -0.010537 17H 1s 0.006788 0.009758 0.022186 0.024127 0.019645 -0.010772 17H 2s -0.011724 0.053161 0.191387 0.243787 0.440072 -0.163864 17H 3s -0.112637 0.048392 -0.204061 -0.566664 0.013364 0.099998 17H 1pz 0.003040 -0.001189 -0.005348 0.010991 -0.007843 0.001578 17H 1px 0.007160 0.003770 0.006479 -0.012235 -0.011987 0.000744 17H 1py -0.000817 0.001725 0.005025 0.008064 0.023183 -0.004789 18H 1s -0.006690 -0.010877 -0.021089 0.023811 -0.019396 -0.010007 18H 2s 0.010507 -0.059340 -0.187797 0.248366 -0.441230 -0.162914 18H 3s 0.116164 -0.029389 0.191515 -0.550394 -0.018317 0.087589 18H 1pz 0.003095 -0.000993 -0.005494 -0.010611 -0.008684 -0.001601 18H 1px 0.006885 0.003854 0.006038 0.012325 -0.012452 -0.001278 18H 1py -0.000600 0.001709 0.005083 -0.008766 0.022798 0.004970 19H 1s 0.007947 -0.006252 0.019918 0.000740 -0.024239 0.017873 19H 2s -0.030079 -0.049218 -0.070866 0.222703 -0.392012 -0.081957 19H 3s -0.090377 0.128864 -0.460410 -0.402371 0.166455 -0.511404 19H 1pz 0.007618 -0.000650 0.015123 -0.013917 0.009624 0.014897 19H 1px -0.008290 -0.006447 -0.006336 0.033547 0.001487 -0.003425 19H 1py 0.002495 0.002399 0.013176 -0.010887 0.017723 0.010563 20H 1s 0.012535 -0.013225 -0.019867 -0.014704 0.010383 -0.008911 20H 2s 0.289856 -0.378027 -0.240297 -0.315612 0.199485 -0.177401 20H 3s -0.246634 -0.127129 -0.348498 0.002135 -0.012522 0.326412 20H 1pz 0.003457 0.012870 0.005982 -0.000911 0.003861 0.003889 20H 1px -0.010229 0.001799 -0.009572 0.005274 -0.009701 0.000982 20H 1py 0.006310 -0.016056 0.006265 -0.005638 0.001548 -0.008135 21H 1s 0.027420 -0.028020 -0.019710 -0.022643 0.014620 -0.011314 21H 2s 0.549992 -0.391552 -0.350871 -0.503453 0.354015 -0.169366 21H 3s -0.652459 -0.403633 -0.491778 -0.126840 -0.302208 -0.203191 21H 1pz -0.005526 0.006262 0.012654 0.011129 -0.005351 0.005656 21H 1px -0.019714 -0.003947 -0.002181 0.018564 -0.015050 0.001712 21H 1py 0.001788 0.002787 -0.005096 -0.002939 0.002981 -0.000213 22H 1s -0.009797 -0.032540 -0.031063 -0.020882 -0.007258 -0.016500 22H 2s -0.278284 -0.634339 -0.726227 -0.323462 -0.103779 -0.274628 22H 3s 1.334797 -0.533751 -0.150154 0.080998 0.597693 -0.240687 22H 1pz 0.007752 0.012971 0.023312 0.010331 0.002153 0.006902 22H 1px -0.012797 -0.009354 -0.009192 0.001676 -0.008212 -0.005180 22H 1py -0.008112 -0.009297 -0.015729 -0.001231 -0.000324 -0.000961 23H 1s -0.023135 -0.021071 0.018446 -0.001932 0.001801 -0.022144 23H 2s -0.481865 -0.471091 0.177584 0.080587 0.035556 -0.431321 23H 3s 0.654502 -0.358182 0.497868 -0.514788 -0.494573 -0.355740 23H 1pz -0.001981 0.012421 0.002227 -0.008647 0.003199 0.011930 23H 1px 0.014091 -0.002825 0.013128 -0.003366 -0.010286 -0.007168 23H 1py 0.013543 0.014790 0.005767 -0.005374 -0.001182 0.012463 24H 1s -0.016466 -0.023039 0.008584 -0.001444 -0.001753 -0.019163 24H 2s -0.378078 -0.323966 0.213370 0.064748 0.010939 -0.399182 24H 3s 0.400269 -0.235580 0.194657 -0.010845 -0.348894 -0.226224 24H 1pz 0.009640 -0.001002 -0.010096 -0.007241 0.000877 0.017217 24H 1px 0.016178 -0.008168 0.007990 -0.002832 -0.011150 -0.004262 24H 1py 0.002371 0.000860 -0.009912 0.002358 0.000734 0.005033 25H 1s 0.011369 -0.030031 0.022840 -0.002523 -0.021022 -0.048404 25H 2s 0.273637 -0.619422 0.528683 -0.083256 -0.463553 -0.920059 25H 3s -1.094409 -0.653203 0.732448 0.274051 0.548893 -0.262619 25H 1pz -0.007200 0.010769 -0.012169 0.001022 0.012429 0.017307 25H 1px 0.013440 -0.013359 0.011902 0.000234 -0.013626 -0.024067 25H 1py -0.001407 0.010683 -0.003996 0.002250 0.005506 0.006913 26O 1s -0.007288 -0.001183 0.004773 -0.001048 0.007329 -0.001842 26O 2s -0.017727 -0.003395 0.010950 -0.002267 0.018095 -0.003717 26O 3s 0.027975 0.017176 -0.009856 0.004456 -0.032447 -0.016068 26O 4s 0.087301 -0.061722 -0.089396 0.054147 -0.109544 0.159205 26O 5s -0.339927 -0.183169 0.533281 -0.864960 0.740688 -0.227266 26O 1pz -0.024057 0.010256 0.002973 0.046423 -0.033676 0.002075 26O 1px -0.085176 -0.012482 0.002719 -0.037961 0.053222 -0.025816 26O 1py -0.047092 -0.000656 -0.033423 -0.040213 0.023670 -0.019863 26O 2pz -0.025314 0.024685 0.055427 0.119699 -0.028220 0.024805 26O 2px -0.069118 0.032196 -0.026169 0.059440 0.021957 -0.088919 26O 2py -0.027901 -0.008988 -0.083197 -0.023808 0.041264 -0.039416 26O 3pz 0.027786 0.164773 -0.508024 -0.464524 -0.137381 -0.607441 26O 3px 0.057940 -0.051453 0.000601 0.212425 -0.472291 -0.058784 26O 3py -0.052383 0.215456 0.002184 0.157353 -0.374846 -0.330548 26O 1dz2 -0.000555 -0.000506 0.000031 -0.002244 0.003571 0.002148 26O 1dxz -0.001423 0.003223 -0.004206 -0.001865 0.002113 -0.003665 26O 1dyz -0.001242 -0.000583 -0.000409 -0.001466 0.002699 -0.000339 26O 1dx2y2 0.000015 0.000079 0.002723 0.003871 -0.003271 -0.001147 26O 1dxy -0.001426 0.000207 0.000417 0.003542 -0.002244 -0.002455 26O 2dz2 0.014825 -0.009627 0.013473 0.017310 -0.012538 -0.003386 26O 2dxz -0.014399 -0.007060 0.007509 -0.008091 0.012475 -0.001143 26O 2dyz -0.009500 -0.013172 0.018888 0.004482 0.010706 -0.008447 26O 2dx2y2 -0.016551 -0.006436 -0.004125 -0.020336 0.011260 0.003724 26O 2dxy -0.025292 -0.008541 0.005619 -0.030242 0.019190 -0.000068 26O 1f0 -0.000014 -0.000290 0.001162 -0.000372 0.000588 -0.000178 26O 1f+1 -0.000512 0.000506 -0.000363 -0.001823 0.000981 0.000377 26O 1f-1 -0.000147 -0.000667 0.000303 -0.000273 -0.000141 -0.000836 26O 1f+2 0.000045 0.000779 -0.000971 -0.000066 -0.000168 0.000286 26O 1f-2 0.000033 0.000276 -0.000620 0.000105 -0.000917 -0.000275 26O 1f+3 -0.000469 0.000287 -0.000357 -0.000649 -0.000331 0.000337 26O 1f-3 -0.000597 0.000354 -0.000339 -0.001864 0.001570 0.000325 27O 1s 0.008449 -0.003560 0.000649 -0.000319 0.004877 0.001350 27O 2s 0.020820 -0.008422 0.002026 0.000304 0.012262 0.002962 27O 3s -0.038748 0.011851 -0.011173 -0.023748 -0.025653 -0.004822 27O 4s -0.065485 0.041570 -0.014117 0.077230 -0.062127 -0.002060 27O 5s 0.392783 -0.447548 0.390140 0.852182 0.596386 0.027528 27O 1pz 0.028674 0.031153 -0.004003 -0.067580 -0.042576 0.011053 27O 1px 0.092975 -0.005244 0.034784 0.084049 0.064894 -0.056000 27O 1py -0.034714 0.011819 -0.004702 -0.001160 0.021656 -0.021279 27O 2pz 0.054824 0.070076 -0.017269 -0.142256 -0.051929 0.026517 27O 2px 0.063565 0.041666 0.018373 0.001387 0.035945 -0.106770 27O 2py -0.016731 0.050880 -0.013583 0.046675 0.020753 -0.055584 27O 3pz -0.121615 -0.042862 0.186444 0.577566 0.087491 -0.213842 27O 3px -0.163363 -0.041844 -0.485516 -0.591999 -0.317845 -0.085392 27O 3py 0.044067 -0.423872 0.034906 -0.051551 0.180295 0.425190 27O 1dz2 -0.000854 0.001432 0.002134 0.000772 0.000982 0.001025 27O 1dxz 0.000229 0.002036 0.001623 0.003652 0.002987 0.000029 27O 1dyz -0.001232 0.001474 0.000461 0.000410 -0.001677 -0.000504 27O 1dx2y2 -0.000010 -0.001152 -0.005314 -0.004950 -0.004528 -0.000781 27O 1dxy -0.001510 -0.002834 -0.001495 0.001206 -0.000286 0.002064 27O 2dz2 -0.022954 0.007951 -0.004411 -0.025346 -0.016005 0.002848 27O 2dxz 0.000421 -0.005448 0.001770 -0.012599 -0.001230 0.002024 27O 2dyz -0.003225 0.013153 0.007244 0.001948 -0.007108 0.012631 27O 2dx2y2 0.023003 0.005741 0.030523 0.038748 0.014529 -0.004997 27O 2dxy -0.027776 0.012627 -0.009078 -0.022100 -0.016391 -0.002265 27O 1f0 -0.000122 0.000047 0.000237 -0.001357 0.000152 0.001035 27O 1f+1 0.000560 0.000319 0.001796 0.002126 0.000813 0.000070 27O 1f-1 -0.000392 0.000175 0.000241 -0.000859 -0.000281 0.000051 27O 1f+2 0.000041 0.000423 0.001155 0.000823 0.000288 0.000201 27O 1f-2 0.000183 0.000144 0.000338 -0.001112 -0.000260 -0.000049 27O 1f+3 0.000670 0.000773 0.001716 0.002491 0.000770 -0.000615 27O 1f-3 -0.000890 0.000794 -0.000851 -0.000802 -0.000800 -0.000606 28O 1s 0.006059 -0.004194 0.005077 0.001019 -0.006465 0.008624 28O 2s 0.015249 -0.010410 0.013122 0.002609 -0.016331 0.022063 28O 3s -0.034987 0.020337 -0.038422 -0.009454 0.037749 -0.060343 28O 4s -0.000687 0.010863 0.022591 -0.013079 0.059550 0.010945 28O 5s 0.203888 0.144771 0.475310 0.768287 -0.906924 0.272151 28O 1pz 0.044536 -0.014033 0.064688 0.000987 -0.018288 0.048094 28O 1px -0.054380 -0.013568 -0.003215 -0.049441 0.071656 -0.001621 28O 1py 0.034418 -0.021419 0.012330 0.020555 0.030397 0.005200 28O 2pz -0.020947 -0.019506 0.062295 -0.097573 0.016143 0.037646 28O 2px -0.052100 -0.043336 0.087005 -0.038272 0.021747 0.128751 28O 2py 0.038734 -0.066093 -0.002042 0.014709 0.044177 0.010607 28O 3pz 0.218061 0.177052 -0.630432 0.256831 0.418771 -0.827956 28O 3px 0.265921 0.346518 -0.025666 0.653691 -0.330899 -0.183709 28O 3py 0.015287 0.413044 -0.126426 0.048019 0.056704 -0.358370 28O 1dz2 0.003310 0.002731 -0.002661 0.001399 -0.001091 -0.002064 28O 1dxz -0.001781 -0.000250 0.003183 0.001601 -0.004328 0.003531 28O 1dyz 0.002202 -0.000243 0.000134 0.000683 -0.003271 0.000323 28O 1dx2y2 -0.001692 -0.002519 0.001638 -0.004776 0.003388 0.000417 28O 1dxy -0.001213 -0.002447 0.002020 -0.000114 0.000302 0.001100 28O 2dz2 0.009206 -0.016134 0.018240 0.007074 -0.015965 0.018921 28O 2dxz -0.030579 -0.016330 -0.024019 -0.026921 0.025265 -0.025284 28O 2dyz -0.002233 -0.017195 0.020799 0.004939 -0.013280 0.005473 28O 2dx2y2 0.013281 0.000842 0.005983 0.013926 -0.013980 0.014878 28O 2dxy -0.011209 -0.008581 -0.001799 -0.013565 0.005627 -0.006159 28O 1f0 0.000592 0.001048 -0.000060 0.001337 -0.000480 0.000602 28O 1f+1 0.001058 0.000321 0.002050 0.001179 -0.002042 0.002364 28O 1f-1 0.000006 0.000437 -0.000840 0.000608 0.000668 -0.001603 28O 1f+2 -0.001263 -0.000837 -0.000726 -0.001102 0.001530 -0.001977 28O 1f-2 0.000333 -0.000506 0.000619 0.000569 0.000041 0.000086 28O 1f+3 -0.000385 -0.000857 -0.000200 -0.000128 0.000760 -0.001119 28O 1f-3 0.000256 0.000077 -0.000208 0.000531 -0.000419 0.000673 29O 1s 0.001052 0.004085 -0.003247 0.016175 -0.003893 0.005385 29O 2s 0.002421 0.008963 -0.007076 0.035739 -0.008580 0.012593 29O 3s -0.001504 0.001631 -0.000563 0.003906 0.003214 -0.011095 29O 4s -0.021526 -0.127464 0.133647 -0.477835 0.174842 -0.152535 29O 5s -0.002969 0.134917 -0.347800 0.489207 -0.556439 0.335111 29O 1pz -0.034838 0.029394 -0.087681 -0.017319 0.026965 0.080216 29O 1px -0.013174 -0.010295 -0.009419 -0.063426 0.006621 -0.007971 29O 1py -0.003710 -0.015882 -0.020491 -0.058564 -0.006409 0.023490 29O 2pz -0.068680 0.061769 -0.174411 -0.007831 0.052059 0.171324 29O 2px -0.030326 -0.020733 -0.010596 -0.188651 0.028458 -0.049496 29O 2py -0.012426 -0.036706 -0.024954 -0.152845 -0.000931 0.041327 29O 3pz 0.220778 -0.139380 0.487360 0.013580 -0.002899 -0.517352 29O 3px 0.109912 0.030198 -0.127073 0.524644 -0.466296 0.346845 29O 3py 0.028251 0.107779 0.165806 0.501498 0.352332 -0.221686 29O 1dz2 0.000422 -0.000370 0.001635 0.000539 0.004040 -0.001958 29O 1dxz -0.000310 0.001046 0.001200 0.000870 0.004184 -0.000711 29O 1dyz 0.001358 -0.000658 0.001377 0.000104 -0.000195 -0.001477 29O 1dx2y2 -0.000128 -0.000136 -0.000841 -0.000633 -0.001713 0.000964 29O 1dxy 0.000449 -0.000440 -0.002191 0.000352 -0.004385 0.002010 29O 2dz2 -0.005498 -0.000522 -0.007328 -0.008446 0.000611 0.002736 29O 2dxz 0.008739 0.006213 0.001814 0.009966 -0.004563 -0.005742 29O 2dyz -0.007044 -0.000016 -0.007495 -0.013660 -0.006347 0.008008 29O 2dx2y2 0.002391 0.002777 0.009101 0.002797 0.006894 0.002250 29O 2dxy 0.000606 -0.001145 0.003478 0.029052 0.021583 -0.006762 29O 1f0 0.000187 0.000223 0.000637 0.001167 0.001186 -0.000613 29O 1f+1 0.000216 0.000266 -0.000266 -0.000017 -0.000490 0.000367 29O 1f-1 0.000523 0.000177 0.001166 0.002131 0.001683 -0.001107 29O 1f+2 -0.000497 -0.000237 -0.000478 -0.000963 0.000336 0.000471 29O 1f-2 -0.000323 -0.000344 -0.000043 0.000558 0.001416 0.000033 29O 1f+3 0.000193 0.000249 0.000552 -0.000405 0.000675 -0.000077 29O 1f-3 0.000232 0.000068 0.000163 0.000226 -0.000443 0.000167 30O 1s -0.004000 -0.005691 -0.003890 0.000433 -0.008114 0.002762 30O 2s -0.010087 -0.013900 -0.010422 0.002247 -0.020100 0.006483 30O 3s 0.022347 0.025348 0.033974 -0.020660 0.040302 -0.010584 30O 4s 0.004311 0.048841 -0.048521 0.083719 0.087027 -0.029665 30O 5s -0.078699 -0.319415 -0.139516 -0.298834 -0.889833 0.121195 30O 1pz -0.046658 0.007965 -0.006576 0.037529 -0.011204 0.010629 30O 1px 0.039844 0.003269 0.021129 -0.000242 0.064750 0.051646 30O 1py 0.047240 0.052503 0.020301 0.016828 -0.002947 -0.006615 30O 2pz -0.028335 0.064825 0.003091 0.111695 0.005580 0.015077 30O 2px 0.049648 -0.049149 -0.021982 -0.004668 0.023324 0.125132 30O 2py 0.006875 0.089544 0.004903 -0.005411 -0.037842 -0.004118 30O 3pz -0.138346 -0.050309 0.213681 -0.483883 0.365865 -0.250481 30O 3px -0.205776 0.207015 0.132594 -0.250262 -0.421880 -0.239292 30O 3py 0.270298 -0.557062 -0.285898 0.239056 -0.315262 0.256010 30O 1dz2 -0.001326 0.001058 -0.000282 -0.001251 -0.000850 -0.000290 30O 1dxz 0.000706 0.001166 -0.001432 -0.000354 -0.003072 0.001037 30O 1dyz 0.002968 -0.000720 0.000710 0.000132 0.001551 0.001080 30O 1dx2y2 0.003625 -0.003541 -0.000785 0.003621 0.003550 0.001130 30O 1dxy -0.001423 0.002893 0.004390 0.001441 0.002953 -0.000600 30O 2dz2 -0.001075 0.008220 0.015077 -0.011189 0.000383 0.004582 30O 2dxz 0.018003 -0.001307 0.004783 -0.004384 0.016277 -0.000002 30O 2dyz 0.007414 0.025440 0.017096 -0.003221 0.021615 0.002338 30O 2dx2y2 -0.002379 0.011175 0.015011 -0.001514 0.004094 -0.009977 30O 2dxy -0.024667 0.003171 0.003426 -0.018216 -0.023627 0.005061 30O 1f0 -0.000624 -0.000367 -0.000243 -0.000158 -0.001452 0.000502 30O 1f+1 0.000130 0.000723 0.000079 -0.000675 -0.000563 0.000642 30O 1f-1 0.000205 -0.000141 -0.000009 0.000328 -0.000511 0.000385 30O 1f+2 0.000485 -0.000959 -0.000881 -0.000589 -0.000251 0.001168 30O 1f-2 0.000707 0.000312 0.000331 -0.000055 0.001910 0.000060 30O 1f+3 -0.000173 -0.000961 -0.000275 -0.000670 -0.001377 0.000595 30O 1f-3 0.000934 -0.000234 -0.000550 -0.000237 0.001246 -0.000210 31O 1s 0.004015 0.005718 0.003965 0.000193 0.008014 0.002851 31O 2s 0.010137 0.013954 0.010596 0.001629 0.019832 0.006695 31O 3s -0.022635 -0.025257 -0.034158 -0.018932 -0.039474 -0.011012 31O 4s -0.002913 -0.050831 0.046678 0.083519 -0.088728 -0.030637 31O 5s 0.079465 0.332720 0.146165 -0.327185 0.908131 0.133762 31O 1pz -0.047355 0.006871 -0.005892 -0.036704 -0.012315 -0.011714 31O 1px 0.040340 0.003352 0.020872 -0.001089 0.065220 -0.052003 31O 1py 0.047603 0.051892 0.021300 -0.016803 -0.004984 0.006369 31O 2pz -0.028806 0.063439 0.005012 -0.111057 0.003494 -0.016652 31O 2px 0.050403 -0.049558 -0.022946 0.005178 0.024609 -0.126467 31O 2py 0.006026 0.086951 0.007010 0.007174 -0.042506 0.002445 31O 3pz -0.142508 -0.048883 0.215249 0.466372 0.372787 0.262174 31O 3px -0.208845 0.198284 0.134899 0.264465 -0.434362 0.229496 31O 3py 0.282055 -0.544973 -0.292891 -0.226977 -0.297163 -0.257636 31O 1dz2 0.001316 -0.001039 0.000300 -0.001250 0.000883 -0.000332 31O 1dxz -0.000710 -0.001120 0.001484 -0.000457 0.003135 0.001079 31O 1dyz -0.003033 0.000715 -0.000684 0.000170 -0.001551 0.001121 31O 1dx2y2 -0.003670 0.003432 0.000860 0.003692 -0.003593 0.001125 31O 1dxy 0.001464 -0.002848 -0.004389 0.001541 -0.002881 -0.000548 31O 2dz2 0.001060 -0.008027 -0.014690 -0.010959 -0.000470 0.004837 31O 2dxz -0.018123 0.000983 -0.004618 -0.003608 -0.016806 -0.000384 31O 2dyz -0.007695 -0.025621 -0.017425 -0.002357 -0.021375 0.001994 31O 2dx2y2 0.002292 -0.011115 -0.014979 -0.001362 -0.003992 -0.009669 31O 2dxy 0.024770 -0.002786 -0.003539 -0.019250 0.023362 0.005718 31O 1f0 -0.000598 -0.000383 -0.000232 0.000196 -0.001425 -0.000519 31O 1f+1 0.000119 0.000706 0.000067 0.000717 -0.000552 -0.000663 31O 1f-1 0.000210 -0.000149 -0.000054 -0.000298 -0.000513 -0.000407 31O 1f+2 0.000510 -0.000948 -0.000893 0.000594 -0.000206 -0.001150 31O 1f-2 0.000718 0.000342 0.000318 -0.000038 0.001914 -0.000000 31O 1f+3 -0.000185 -0.000984 -0.000265 0.000707 -0.001373 -0.000616 31O 1f-3 0.000932 -0.000212 -0.000532 0.000203 0.001273 0.000237 32O 1s -0.000967 -0.004389 0.003709 0.015895 0.004196 0.005379 32O 2s -0.002245 -0.009644 0.008109 0.035130 0.009238 0.012583 32O 3s 0.001720 -0.001505 0.000411 0.003758 -0.002925 -0.011132 32O 4s 0.017664 0.136330 -0.146677 -0.466763 -0.185407 -0.152073 32O 5s 0.010517 -0.147394 0.362421 0.465317 0.572137 0.334002 32O 1pz -0.035469 0.027861 -0.087170 0.015564 0.026730 -0.076771 32O 1px -0.012824 -0.012146 -0.007249 0.061623 0.007815 0.009027 32O 1py -0.005005 -0.015379 -0.021920 0.060429 -0.005251 -0.025474 32O 2pz -0.069969 0.058763 -0.174304 0.002982 0.050652 -0.163940 32O 2px -0.030026 -0.024947 -0.005116 0.184043 0.031603 0.051339 32O 2py -0.014821 -0.035971 -0.027242 0.155845 0.002332 -0.045941 32O 3pz 0.220744 -0.135620 0.481851 -0.003934 -0.013814 0.490020 32O 3px 0.110642 0.039512 -0.145419 -0.504253 -0.480363 -0.352121 32O 3py 0.035196 0.106454 0.169978 -0.516144 0.343135 0.234177 32O 1dz2 -0.000346 0.000334 -0.001570 0.000651 -0.004058 -0.001849 32O 1dxz 0.000329 -0.001060 -0.001187 0.000890 -0.004252 -0.000730 32O 1dyz -0.001346 0.000680 -0.001401 0.000145 0.000117 -0.001436 32O 1dx2y2 0.000152 0.000120 0.000866 -0.000703 0.001657 0.000972 32O 1dxy -0.000422 0.000413 0.002211 0.000256 0.004369 0.001996 32O 2dz2 0.005126 0.000134 0.006158 -0.007835 -0.001148 0.002040 32O 2dxz -0.008741 -0.006330 -0.001502 0.009621 0.005617 -0.005464 32O 2dyz 0.007098 0.000001 0.007280 -0.013813 0.005708 0.007890 32O 2dx2y2 -0.002429 -0.002834 -0.009339 0.003152 -0.006572 0.002212 32O 2dxy -0.001056 0.001091 -0.003767 0.029869 -0.021143 -0.007277 32O 1f0 0.000168 0.000209 0.000580 -0.001099 0.001065 0.000556 32O 1f+1 0.000207 0.000261 -0.000328 0.000086 -0.000589 -0.000394 32O 1f-1 0.000525 0.000161 0.001140 -0.002199 0.001720 0.001111 32O 1f+2 -0.000507 -0.000235 -0.000487 0.001054 0.000271 -0.000508 32O 1f-2 -0.000319 -0.000354 -0.000051 -0.000547 0.001385 -0.000041 32O 1f+3 0.000170 0.000250 0.000558 0.000361 0.000718 0.000062 32O 1f-3 0.000247 0.000079 0.000181 -0.000258 -0.000440 -0.000161 33O 1s -0.005967 0.004306 -0.004922 0.000980 0.006602 0.008769 33O 2s -0.015018 0.010667 -0.012725 0.002517 0.016663 0.022422 33O 3s 0.034522 -0.020574 0.037279 -0.009373 -0.038457 -0.061141 33O 4s -0.000021 -0.013634 -0.022367 -0.011531 -0.060957 0.009867 33O 5s -0.199802 -0.134382 -0.457726 0.753997 0.933900 0.285841 33O 1pz 0.043210 -0.014648 0.064191 -0.001760 -0.019232 -0.049152 33O 1px -0.053690 -0.013067 -0.001559 0.048374 0.073362 0.001545 33O 1py 0.034745 -0.020929 0.011421 -0.021698 0.030885 -0.005760 33O 2pz -0.022447 -0.019773 0.064738 0.095644 0.018525 -0.038363 33O 2px -0.051542 -0.043982 0.086915 0.036202 0.021304 -0.130745 33O 2py 0.039296 -0.065063 -0.003547 -0.016557 0.046369 -0.011415 33O 3pz 0.220001 0.181070 -0.625660 -0.252758 0.414811 0.838071 33O 3px 0.266590 0.345115 -0.034997 -0.636369 -0.345868 0.179597 33O 3py 0.010821 0.411045 -0.123021 -0.041765 0.049670 0.366177 33O 1dz2 -0.003304 -0.002700 0.002695 0.001319 0.001155 -0.002126 33O 1dxz 0.001791 0.000283 -0.003085 0.001601 0.004425 0.003585 33O 1dyz -0.002178 0.000233 -0.000101 0.000615 0.003300 0.000298 33O 1dx2y2 0.001729 0.002501 -0.001688 -0.004670 -0.003511 0.000434 33O 1dxy 0.001189 0.002450 -0.002044 -0.000018 -0.000283 0.001159 33O 2dz2 -0.009014 0.015862 -0.017109 0.007044 0.015913 0.019019 33O 2dxz 0.030260 0.015657 0.023277 -0.026512 -0.026735 -0.025814 33O 2dyz 0.002485 0.017475 -0.021064 0.005384 0.013687 0.006005 33O 2dx2y2 -0.013303 -0.000894 -0.004922 0.013589 0.014370 0.014962 33O 2dxy 0.011458 0.008477 0.001626 -0.013243 -0.006068 -0.006547 33O 1f0 0.000597 0.001033 -0.000053 -0.001319 -0.000520 -0.000612 33O 1f+1 0.001042 0.000304 0.001989 -0.001150 -0.002082 -0.002409 33O 1f-1 -0.000009 0.000469 -0.000843 -0.000594 0.000672 0.001629 33O 1f+2 -0.001251 -0.000812 -0.000657 0.001061 0.001599 0.002000 33O 1f-2 0.000342 -0.000518 0.000639 -0.000590 0.000006 -0.000113 33O 1f+3 -0.000382 -0.000832 -0.000162 0.000100 0.000786 0.001138 33O 1f-3 0.000280 0.000062 -0.000220 -0.000528 -0.000457 -0.000688 34O 1s -0.008508 0.003411 -0.000660 -0.000302 -0.004961 0.001428 34O 2s -0.020962 0.008040 -0.002030 0.000353 -0.012436 0.003169 34O 3s 0.039038 -0.010834 0.010650 -0.023868 0.025574 -0.005564 34O 4s 0.066780 -0.041438 0.016695 0.076426 0.063980 -0.002095 34O 5s -0.409231 0.432851 -0.380433 0.858159 -0.591499 0.051702 34O 1pz 0.027791 0.030541 -0.001515 0.069197 -0.041134 -0.011171 34O 1px 0.094262 -0.002979 0.034679 -0.085640 0.063735 0.055466 34O 1py -0.034966 0.011380 -0.002943 0.000931 0.022844 0.021284 34O 2pz 0.053147 0.069024 -0.011817 0.145150 -0.048475 -0.027285 34O 2px 0.063447 0.042404 0.020052 -0.002808 0.034079 0.107457 34O 2py -0.016894 0.050659 -0.010071 -0.046262 0.022587 0.055461 34O 3pz -0.116621 -0.041658 0.173698 -0.585816 0.067861 0.217076 34O 3px -0.172949 -0.050478 -0.472160 0.590707 -0.313591 0.110338 34O 3py 0.046518 -0.420692 0.018735 0.050198 0.179459 -0.433018 34O 1dz2 0.000814 -0.001454 -0.002095 0.000792 -0.001057 0.001096 34O 1dxz -0.000291 -0.002076 -0.001554 0.003754 -0.002883 0.000017 34O 1dyz 0.001227 -0.001428 -0.000473 0.000386 0.001744 -0.000531 34O 1dx2y2 0.000092 0.001184 0.005228 -0.005048 0.004523 -0.000931 34O 1dxy 0.001518 0.002834 0.001546 0.001191 0.000324 0.002075 34O 2dz2 0.023364 -0.007241 0.004635 -0.025597 0.015884 0.002563 34O 2dxz -0.000374 0.005543 -0.001831 -0.012620 0.000927 0.002122 34O 2dyz 0.003096 -0.013101 -0.007228 0.001974 0.006889 0.012537 34O 2dx2y2 -0.023788 -0.006371 -0.029644 0.039092 -0.014492 -0.004110 34O 2dxy 0.028074 -0.012069 0.008726 -0.022251 0.016092 -0.002754 34O 1f0 -0.000119 0.000040 0.000227 0.001372 0.000203 -0.001050 34O 1f+1 0.000595 0.000346 0.001773 -0.002134 0.000793 -0.000128 34O 1f-1 -0.000394 0.000168 0.000249 0.000848 -0.000253 -0.000047 34O 1f+2 0.000065 0.000438 0.001153 -0.000861 0.000276 -0.000200 34O 1f-2 0.000186 0.000147 0.000338 0.001132 -0.000222 0.000028 34O 1f+3 0.000702 0.000818 0.001680 -0.002492 0.000762 0.000570 34O 1f-3 -0.000910 0.000760 -0.000829 0.000814 -0.000805 0.000650 35O 1s 0.007248 0.001122 -0.004831 -0.000957 -0.007340 -0.001771 35O 2s 0.017623 0.003228 -0.011069 -0.002050 -0.018092 -0.003547 35O 3s -0.027661 -0.016675 0.009652 0.004194 0.032098 -0.016434 35O 4s -0.087340 0.061349 0.093196 0.053148 0.113563 0.158456 35O 5s 0.338722 0.183389 -0.556099 -0.860634 -0.778701 -0.207905 35O 1pz -0.023551 0.011057 0.003355 -0.045566 -0.034470 -0.001535 35O 1px -0.085258 -0.011829 0.004708 0.037120 0.055027 0.025713 35O 1py -0.046935 -0.001206 -0.034473 0.040455 0.023618 0.019674 35O 2pz -0.024694 0.025874 0.055346 -0.119420 -0.031257 -0.024016 35O 2px -0.069935 0.033009 -0.023978 -0.059762 0.021388 0.090395 35O 2py -0.027310 -0.010702 -0.087506 0.024362 0.038600 0.039276 35O 3pz 0.025009 0.164693 -0.492072 0.473470 -0.116388 0.609993 35O 3px 0.057016 -0.054825 -0.006805 -0.218927 -0.485665 0.065127 35O 3py -0.053674 0.223708 0.019479 -0.157926 -0.363583 0.340003 35O 1dz2 0.000551 0.000491 -0.000032 -0.002197 -0.003664 0.002160 35O 1dxz 0.001409 -0.003220 0.004084 -0.001916 -0.002221 -0.003737 35O 1dyz 0.001261 0.000606 0.000365 -0.001446 -0.002687 -0.000331 35O 1dx2y2 0.000007 -0.000035 -0.002657 0.003924 0.003441 -0.001154 35O 1dxy 0.001386 -0.000282 -0.000420 0.003525 0.002284 -0.002495 35O 2dz2 -0.014808 0.009326 -0.012639 0.017731 0.013252 -0.003439 35O 2dxz 0.014089 0.006722 -0.007539 -0.007925 -0.012786 -0.000936 35O 2dyz 0.009465 0.013182 -0.019217 0.005098 -0.010563 -0.008184 35O 2dx2y2 0.016236 0.006146 0.004063 -0.020607 -0.011833 0.003812 35O 2dxy 0.025320 0.008532 -0.006035 -0.030410 -0.020050 0.000450 35O 1f0 -0.000000 -0.000285 0.001163 0.000365 0.000583 0.000141 35O 1f+1 -0.000502 0.000507 -0.000339 0.001846 0.001028 -0.000394 35O 1f-1 -0.000159 -0.000655 0.000337 0.000266 -0.000130 0.000822 35O 1f+2 0.000029 0.000746 -0.000967 0.000080 -0.000198 -0.000256 35O 1f-2 0.000016 0.000278 -0.000608 -0.000105 -0.000902 0.000292 35O 1f+3 -0.000457 0.000310 -0.000371 0.000687 -0.000303 -0.000354 35O 1f-3 -0.000578 0.000350 -0.000312 0.001903 0.001626 -0.000346 216 217 218 219 220 221 0.57579 0.58169 0.58668 0.59232 0.60968 0.61239 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s -0.001797 0.000485 0.004649 0.002261 0.000262 -0.000953 0Rh 2s 0.006590 -0.002323 -0.011107 -0.006193 0.000173 0.001218 0Rh 3s -0.006405 0.001392 0.020237 0.009352 0.001638 -0.004808 0Rh 4s -0.029565 0.010677 0.046900 0.026741 -0.001301 -0.004447 0Rh 5s 0.023601 -0.013541 0.019492 -0.000661 0.011343 -0.016912 0Rh 6s 0.058534 -0.000604 -0.333381 -0.141957 -0.039083 0.092573 0Rh 7s 0.098909 -0.373995 2.048343 0.401696 0.138291 -0.011025 0Rh 8s -0.753017 0.919344 -0.583054 2.267075 0.379508 -1.633172 0Rh 1pz -0.000051 -0.004097 -0.006163 0.001923 -0.013601 -0.002153 0Rh 1px -0.004780 0.002119 -0.003715 0.001954 -0.007104 -0.005317 0Rh 1py 0.001146 0.000112 -0.001614 0.009521 0.011050 0.001551 0Rh 2pz 0.000235 0.014273 0.021363 -0.006596 0.047066 0.007360 0Rh 2px 0.016439 -0.007301 0.013124 -0.006937 0.024422 0.018425 0Rh 2py -0.003747 -0.000429 0.005399 -0.033021 -0.038002 -0.005484 0Rh 3pz -0.001328 -0.015244 -0.020976 0.004903 -0.043586 -0.005157 0Rh 3px -0.013465 0.006195 -0.016910 0.009770 -0.019469 -0.017379 0Rh 3py -0.001025 0.001214 -0.001475 0.032253 0.030740 0.007541 0Rh 4pz 0.003573 -0.010267 -0.020992 0.014297 -0.062286 -0.014889 0Rh 4px -0.028498 0.012280 -0.002841 -0.003135 -0.044750 -0.024806 0Rh 4py 0.024947 -0.002697 -0.020756 0.036592 0.066902 -0.004276 0Rh 5pz -0.001284 -0.026713 -0.028272 -0.012793 -0.013214 -0.007754 0Rh 5px 0.011253 -0.007127 -0.002059 0.025285 0.020021 0.005954 0Rh 5py -0.062171 0.004912 0.026826 0.015765 -0.019514 0.046367 0Rh 6pz -0.336025 0.488999 -0.055351 -0.431451 1.180547 0.897085 0Rh 6px 0.125497 0.019527 -1.094762 -0.801988 0.256256 0.277755 0Rh 6py 0.846245 0.105959 -0.447213 0.343635 -0.540816 -1.153310 0Rh 1dz2 0.021174 0.009195 -0.010322 -0.002610 0.003698 -0.000162 0Rh 1dxz 0.011364 -0.000228 0.012147 0.008717 -0.011243 -0.004298 0Rh 1dyz -0.012840 0.000530 0.005061 0.005879 -0.005831 0.004791 0Rh 1dx2y2 0.001829 0.011653 0.010635 0.005038 -0.004877 -0.011132 0Rh 1dxy 0.004252 0.003903 -0.001921 -0.017447 0.009584 0.004668 0Rh 2dz2 -0.004933 -0.003990 0.000376 0.000758 0.000034 -0.001314 0Rh 2dxz -0.002266 -0.001475 -0.002530 -0.000609 0.001833 -0.000069 0Rh 2dyz 0.001472 0.000472 -0.001199 -0.000591 0.001025 -0.000755 0Rh 2dx2y2 -0.001551 -0.003946 -0.000428 -0.000897 0.000828 0.001522 0Rh 2dxy -0.000159 -0.001377 0.000910 0.001795 -0.001654 -0.000652 0Rh 3dz2 -0.020255 -0.001260 0.018204 0.001817 -0.007290 0.005909 0Rh 3dxz -0.012358 0.006432 -0.012866 -0.014262 0.014065 0.008660 0Rh 3dyz 0.018552 -0.002711 -0.004705 -0.008855 0.006901 -0.006005 0Rh 3dx2y2 0.002637 -0.005999 -0.018532 -0.005815 0.006005 0.015012 0Rh 3dxy -0.007613 -0.001718 -0.000100 0.025996 -0.011557 -0.006211 0Rh 4dz2 -0.086257 -0.061559 0.015140 0.013225 -0.003143 -0.018464 0Rh 4dxz -0.042932 -0.018220 -0.048908 -0.017412 0.036652 0.003277 0Rh 4dyz 0.033477 0.001972 -0.022373 -0.013739 0.020855 -0.017236 0Rh 4dx2y2 -0.021675 -0.064947 -0.014703 -0.018093 0.015469 0.033851 0Rh 4dxy -0.004656 -0.023367 0.014674 0.043796 -0.031734 -0.014941 0Rh 5dz2 0.156528 0.186154 0.072303 -0.039495 -0.023153 0.108171 0Rh 5dxz 0.099047 0.062212 0.146849 0.005372 -0.072128 0.022781 0Rh 5dyz -0.025325 0.059609 0.085675 -0.004253 -0.068605 0.063441 0Rh 5dx2y2 0.064534 0.196764 -0.100691 0.029314 -0.026669 -0.058026 0Rh 5dxy -0.056041 0.091923 -0.053190 -0.040487 0.043121 0.055290 0Rh 1f0 0.002319 0.009972 0.005555 0.003485 0.001280 0.006758 0Rh 1f+1 0.000967 -0.004797 -0.009292 -0.008188 0.002931 -0.002066 0Rh 1f-1 -0.009660 0.000214 -0.001150 0.005486 -0.004246 0.002138 0Rh 1f+2 -0.005771 0.001968 0.004304 -0.001161 0.002092 0.001573 0Rh 1f-2 0.010930 -0.004610 -0.005608 0.003080 0.006339 -0.007140 0Rh 1f+3 -0.000703 0.007191 -0.006006 -0.007618 -0.005502 0.001920 0Rh 1f-3 -0.010719 0.011245 -0.007258 0.004544 0.005941 -0.003130 1Rh 1s -0.001779 0.000764 -0.004700 -0.002265 -0.000029 -0.000587 1Rh 2s 0.006564 -0.003110 0.011251 0.006124 -0.000430 0.000180 1Rh 3s -0.006313 0.002529 -0.020446 -0.009421 -0.000437 -0.003313 1Rh 4s -0.029470 0.014090 -0.047527 -0.026394 0.002192 0.000058 1Rh 5s 0.023918 -0.013958 -0.019375 -0.000366 -0.006763 -0.017446 1Rh 6s 0.056736 -0.017267 0.336191 0.144288 0.015837 0.070151 1Rh 7s 0.115995 -0.308607 -2.049731 -0.419750 -0.175627 0.127789 1Rh 8s -0.785919 1.069821 0.547384 -2.255334 0.153584 -1.695379 1Rh 1pz -0.000126 0.003985 -0.006090 0.002004 -0.013483 -0.002870 1Rh 1px 0.004815 -0.002404 -0.003545 0.001961 -0.008468 0.003005 1Rh 1py -0.001091 -0.000535 -0.001641 0.009511 0.011149 0.000888 1Rh 2pz 0.000379 -0.013869 0.021113 -0.006885 0.046639 0.009982 1Rh 2px -0.016564 0.008297 0.012538 -0.006960 0.029153 -0.010494 1Rh 2py 0.003572 0.001918 0.005494 -0.032984 -0.038389 -0.002896 1Rh 3pz 0.000671 0.014531 -0.020759 0.005336 -0.042887 -0.010110 1Rh 3px 0.013670 -0.007317 -0.016402 0.009739 -0.024018 0.011311 1Rh 3py 0.000853 -0.003091 -0.001581 0.032180 0.032030 -0.000889 1Rh 4pz -0.004084 0.010989 -0.020584 0.013924 -0.062548 -0.011167 1Rh 4px 0.028369 -0.012817 -0.001913 -0.002975 -0.050818 0.009597 1Rh 4py -0.023409 0.002685 -0.020857 0.036667 0.063288 0.019449 1Rh 5pz 0.000613 0.024117 -0.028574 -0.009905 -0.015741 0.008834 1Rh 5px -0.011105 0.005006 -0.002446 0.025676 0.021252 -0.000503 1Rh 5py 0.059648 -0.008595 0.027293 0.015895 -0.005373 -0.050682 1Rh 6pz 0.364018 -0.438083 -0.052261 -0.503485 1.372655 -0.510426 1Rh 6px -0.108441 0.064254 -1.095593 -0.820982 0.313847 -0.082987 1Rh 6py -0.842159 -0.134637 -0.468851 0.328447 -0.843162 1.002577 1Rh 1dz2 0.021053 0.009261 0.010740 0.003184 -0.003482 -0.002155 1Rh 1dxz 0.011243 -0.000157 -0.012074 -0.008701 0.011742 0.000401 1Rh 1dyz -0.012518 0.001244 -0.005015 -0.005768 0.004160 0.006385 1Rh 1dx2y2 0.002246 0.011741 -0.010724 -0.004749 0.007974 -0.008371 1Rh 1dxy 0.003668 0.001811 0.001922 0.017577 -0.010467 0.001836 1Rh 2dz2 -0.004939 -0.004005 -0.000550 -0.001045 0.000410 -0.001155 1Rh 2dxz -0.002254 -0.001430 0.002453 0.000508 -0.001648 -0.000909 1Rh 2dyz 0.001394 0.000372 0.001204 0.000628 -0.000795 -0.001042 1Rh 2dx2y2 -0.001593 -0.003955 0.000354 0.000681 -0.001181 0.001164 1Rh 2dxy -0.000063 -0.001133 -0.000906 -0.001843 0.001744 -0.000119 1Rh 3dz2 -0.020001 -0.001326 -0.018283 -0.001737 0.004991 0.009094 1Rh 3dxz -0.012171 0.006110 0.013048 0.014642 -0.015819 0.003070 1Rh 3dyz 0.018262 -0.003663 0.004604 0.008506 -0.004672 -0.007871 1Rh 3dx2y2 0.002015 -0.006118 0.019001 0.006149 -0.010464 0.011169 1Rh 3dxy -0.006893 0.001277 0.000079 -0.026046 0.012865 -0.002984 1Rh 4dz2 -0.086233 -0.061837 -0.017874 -0.017577 0.009139 -0.014401 1Rh 4dxz -0.042685 -0.017761 0.047796 0.016180 -0.034586 -0.013085 1Rh 4dyz 0.032025 -0.000152 0.022247 0.013911 -0.015307 -0.022917 1Rh 4dx2y2 -0.022677 -0.065162 0.013859 0.014968 -0.024055 0.026570 1Rh 4dxy -0.002772 -0.017785 -0.014621 -0.044592 0.034232 -0.004804 1Rh 5dz2 0.158378 0.187236 -0.063928 0.053776 -0.012975 0.110776 1Rh 5dxz 0.099791 0.061645 -0.142309 -0.002228 0.057353 0.059593 1Rh 5dyz -0.019934 0.063070 -0.083117 0.006294 0.048472 0.080519 1Rh 5dx2y2 0.064905 0.195680 0.105292 -0.017602 0.040449 -0.056453 1Rh 5dxy -0.057799 0.086489 0.053269 0.043888 -0.054991 0.035828 1Rh 1f0 -0.002358 -0.010222 0.005179 0.002745 0.003498 -0.007097 1Rh 1f+1 -0.000703 0.005712 -0.009138 -0.007882 0.002193 0.002223 1Rh 1f-1 0.009431 -0.000779 -0.001054 0.005384 -0.003436 -0.003513 1Rh 1f+2 0.005567 -0.001930 0.004393 -0.001109 0.002377 -0.000323 1Rh 1f-2 -0.010827 0.004551 -0.005562 0.003487 0.003954 0.008935 1Rh 1f+3 0.000644 -0.006590 -0.006100 -0.008116 -0.004647 -0.003037 1Rh 1f-3 0.010837 -0.011213 -0.007320 0.003897 0.004899 0.004915 2C 1s 0.003912 0.003028 0.011106 -0.006436 0.000654 -0.003889 2C 2s 0.011517 0.007025 0.028689 -0.014020 0.000320 -0.009843 2C 3s -0.049394 0.005159 -0.065655 -0.023730 0.034554 0.014593 2C 4s 0.260814 -0.214831 -0.003009 0.391506 -0.202467 -0.045393 2C 5s -3.417661 1.435883 -1.264864 -3.415657 2.980719 3.604228 2C 1pz 0.003458 -0.024479 0.001570 -0.015800 -0.009258 -0.025874 2C 1px -0.041427 0.021360 -0.008913 -0.025868 0.006692 -0.004567 2C 1py 0.008469 0.034375 0.008716 -0.022073 0.062954 0.004345 2C 2pz 0.044107 -0.110339 0.105754 -0.050391 -0.024967 -0.088255 2C 2px -0.124762 0.051600 0.071388 -0.109949 0.000183 -0.029672 2C 2py 0.149621 0.175259 0.128388 -0.094592 0.216973 -0.013920 2C 3pz -0.897644 0.453146 -0.462883 -0.678085 0.820283 1.151190 2C 3px 0.312814 -0.036078 0.481052 -0.091827 0.037606 0.243481 2C 3py -0.456675 -0.262854 -0.430142 -0.331097 0.046454 0.413701 2C 1dz2 0.000717 0.003093 0.002920 -0.000871 0.002065 0.001657 2C 1dxz 0.000230 0.002923 -0.002206 -0.000643 0.000584 0.002513 2C 1dyz -0.001825 -0.001542 -0.001605 0.000432 -0.000337 0.002028 2C 1dx2y2 0.001330 0.001461 -0.002781 0.000968 0.001296 0.001066 2C 1dxy 0.000138 -0.002704 -0.001952 0.000208 -0.000602 -0.000651 2C 2dz2 0.063507 0.121640 -0.038340 -0.063324 0.147944 0.060838 2C 2dxz 0.034236 -0.013312 0.106730 0.020562 0.036439 -0.044428 2C 2dyz -0.005404 -0.057414 0.101703 -0.046984 -0.044026 -0.049181 2C 2dx2y2 0.050407 0.054937 0.037457 0.026405 0.049535 0.010244 2C 2dxy 0.044785 0.100608 0.091858 0.014445 0.029290 0.018489 2C 1f0 -0.004597 -0.003414 -0.005880 0.000451 0.005073 0.002383 2C 1f+1 -0.002095 -0.004632 0.002129 -0.000672 -0.000847 -0.000369 2C 1f-1 0.000206 -0.001818 0.000332 0.001224 -0.000695 -0.000242 2C 1f+2 0.001504 -0.001647 0.007771 -0.001543 0.002915 -0.002696 2C 1f-2 -0.000851 -0.001964 -0.001468 0.004638 0.000389 0.002908 2C 1f+3 0.005364 0.004236 0.009750 -0.005585 0.004741 -0.002982 2C 1f-3 0.000109 0.002253 -0.001349 -0.003135 -0.000412 -0.000051 3C 1s -0.009197 0.001897 0.004670 0.011158 0.007149 -0.005701 3C 2s -0.024446 0.004096 0.010904 0.028654 0.015813 -0.014529 3C 3s 0.049010 0.009471 0.007855 -0.053859 0.007538 0.012898 3C 4s -0.268689 0.061201 -0.330769 -0.132005 -0.201176 0.173620 3C 5s 9.815065 -3.955283 2.037272 -0.794157 6.075867 0.433212 3C 1pz -0.041840 -0.006580 -0.016522 0.034923 0.017081 -0.019145 3C 1px 0.017279 -0.011309 0.044985 -0.001849 0.007006 -0.007647 3C 1py 0.023854 -0.047148 0.009735 0.022908 -0.065025 0.001043 3C 2pz -0.247812 -0.091230 -0.075676 0.129150 0.109414 -0.051296 3C 2px 0.071249 -0.030385 0.210914 0.079752 0.066851 -0.077511 3C 2py 0.110287 -0.177676 0.050997 -0.014957 -0.315266 0.009869 3C 3pz 1.416800 -0.103954 0.081404 -1.068835 0.630053 0.661340 3C 3px 1.138756 -0.313573 -0.068461 0.488653 0.850561 -0.135784 3C 3py -2.496458 1.327605 -0.398721 0.057685 -1.310755 -0.254683 3C 1dz2 0.000182 0.001434 0.001421 0.000522 0.000585 -0.000003 3C 1dxz 0.004028 0.000588 -0.000287 -0.000376 0.001788 0.000971 3C 1dyz -0.004704 -0.001875 -0.000627 0.000818 -0.001875 -0.001998 3C 1dx2y2 -0.004347 0.006092 -0.004342 -0.002401 -0.001465 0.001007 3C 1dxy -0.001609 0.003491 0.004396 0.001560 -0.001489 -0.000058 3C 2dz2 0.095763 0.166255 -0.017787 -0.070122 0.023107 0.060733 3C 2dxz -0.057534 0.031209 -0.001279 -0.050341 0.047973 0.034625 3C 2dyz -0.032681 -0.002417 -0.029298 -0.088125 -0.115869 0.035289 3C 2dx2y2 0.032431 0.013303 0.030371 -0.003497 -0.030807 0.005296 3C 2dxy 0.011590 -0.069126 -0.059555 -0.053344 -0.082592 0.013411 3C 1f0 0.004719 0.000677 -0.001204 -0.007420 -0.003910 0.003233 3C 1f+1 0.001754 -0.002246 0.000240 -0.002461 -0.000566 0.000593 3C 1f-1 0.009070 0.002715 -0.001244 -0.001897 -0.004328 0.001225 3C 1f+2 -0.009685 0.003925 0.006607 0.009456 0.004945 -0.007997 3C 1f-2 -0.006967 0.002412 -0.000112 0.004989 0.000570 -0.002942 3C 1f+3 0.000540 0.004829 0.000165 -0.000262 0.005568 0.000969 3C 1f-3 -0.002465 -0.003132 0.001307 -0.000417 -0.002951 -0.001172 4C 1s 0.008204 -0.006918 -0.004623 0.002711 -0.000833 0.006538 4C 2s 0.019508 -0.015670 -0.011161 0.004897 -0.000957 0.016327 4C 3s -0.089982 0.076267 0.103455 0.078741 -0.100978 -0.107016 4C 4s 0.103798 -0.302147 -0.527448 -0.874522 0.904562 0.426646 4C 5s 2.668076 -1.642978 0.353602 1.545215 -0.920164 -1.323448 4C 1pz -0.064052 0.026730 0.014891 0.036635 0.010824 -0.032699 4C 1px 0.022936 -0.034090 -0.125075 0.029458 0.008706 0.035004 4C 1py -0.011844 0.001758 -0.072572 0.041275 -0.061399 -0.024686 4C 2pz 0.114450 -0.182951 0.059954 0.009454 0.062241 -0.053179 4C 2px -0.027179 0.098560 -0.230516 -0.285614 0.163323 0.150318 4C 2py 0.131169 0.055270 -0.074713 -0.123561 0.137615 0.055134 4C 3pz -0.869976 -0.013959 -0.194149 -1.587552 1.536542 2.021480 4C 3px -0.505638 0.208854 -0.648426 -0.774174 0.496491 0.410228 4C 3py -0.754258 0.551831 -0.013587 -1.370418 1.343248 1.671071 4C 1dz2 -0.002545 0.001618 -0.001123 0.003720 -0.008139 -0.002090 4C 1dxz -0.007004 0.007083 -0.006744 -0.003313 -0.000894 -0.000664 4C 1dyz -0.004969 -0.002695 -0.005507 -0.002686 0.009158 0.003049 4C 1dx2y2 0.011459 -0.002718 0.001875 -0.008024 -0.001780 -0.001799 4C 1dxy -0.002088 0.001851 -0.005729 -0.009006 0.004856 0.005117 4C 2dz2 -0.088776 -0.160203 0.005434 0.087739 -0.137005 -0.049280 4C 2dxz -0.114606 0.008388 0.177298 -0.053479 -0.087822 -0.048968 4C 2dyz 0.062047 0.119223 0.066275 -0.043623 0.034364 0.014281 4C 2dx2y2 -0.060903 -0.225286 -0.115668 -0.037103 0.053779 0.001234 4C 2dxy 0.035782 0.051015 0.039710 -0.116012 0.104138 0.056529 4C 1f0 -0.004472 -0.001095 0.007673 0.002818 -0.009998 -0.003695 4C 1f+1 -0.008956 0.007724 0.005312 0.005545 -0.014633 -0.003586 4C 1f-1 -0.001606 -0.000772 0.004197 0.005381 -0.004123 -0.001750 4C 1f+2 0.002926 -0.014257 -0.012584 -0.000356 0.005064 0.000821 4C 1f-2 -0.001512 -0.000391 0.001565 -0.003787 0.003014 0.000556 4C 1f+3 0.004748 -0.000786 -0.004574 0.002152 -0.003035 -0.000861 4C 1f-3 -0.004205 0.000105 0.003319 0.014786 -0.007911 -0.004478 5C 1s 0.000177 0.000156 -0.001290 -0.007172 -0.006346 0.007376 5C 2s 0.000259 -0.000050 -0.001884 -0.016877 -0.014034 0.017837 5C 3s 0.068134 -0.039244 -0.013758 0.128346 -0.108149 -0.139067 5C 4s -0.074702 0.294412 0.128706 -0.584032 1.676856 0.720367 5C 5s -6.926761 2.825300 -1.262002 -0.494370 -2.241239 0.652827 5C 1pz -0.012553 0.000341 0.016960 -0.071780 -0.017283 0.013012 5C 1px -0.024742 0.037924 -0.138185 0.002139 -0.016305 -0.032877 5C 1py 0.007861 -0.006005 0.000619 0.013971 0.098355 0.021628 5C 2pz -0.323510 -0.035103 -0.066644 -0.066879 0.132466 0.044436 5C 2px 0.177968 0.160426 0.151919 0.033430 0.035083 0.082323 5C 2py 0.292015 -0.143518 0.055514 0.076456 -0.249832 -0.139037 5C 3pz 2.700000 -1.571146 0.584279 0.609530 2.572925 -0.228195 5C 3px 1.401398 -0.869232 0.338436 -1.078642 1.214675 1.056955 5C 3py -4.531808 1.750628 -0.581410 0.401606 -4.471065 -0.676985 5C 1dz2 0.002815 0.000921 -0.003627 0.004195 -0.009254 -0.006435 5C 1dxz 0.007885 -0.002194 -0.000899 -0.002897 -0.006306 -0.000255 5C 1dyz -0.005879 -0.002618 0.003394 0.003649 -0.010537 -0.002935 5C 1dx2y2 -0.003231 0.002558 0.005011 0.005954 0.002608 0.003405 5C 1dxy -0.012242 0.000098 -0.004017 0.005561 0.000619 -0.004175 5C 2dz2 -0.103559 -0.204472 -0.044309 0.088800 -0.139348 -0.073630 5C 2dxz 0.071070 -0.168733 0.157282 0.158628 -0.152747 -0.124976 5C 2dyz 0.164718 0.144918 0.031202 -0.062929 -0.024863 0.051833 5C 2dx2y2 -0.114184 0.000303 0.066440 -0.149994 0.114860 0.077684 5C 2dxy -0.148640 -0.015998 -0.235158 -0.124996 0.041099 0.086559 5C 1f0 0.010479 -0.000284 0.007647 0.004528 -0.007530 -0.003006 5C 1f+1 0.005274 -0.006751 -0.009454 0.006518 -0.011479 -0.005488 5C 1f-1 0.006953 0.008388 0.002686 -0.001184 0.003097 0.002135 5C 1f+2 -0.005633 -0.001772 -0.004305 -0.005774 0.000475 0.001527 5C 1f-2 -0.018523 0.007000 -0.012055 -0.012459 0.012305 0.009904 5C 1f+3 0.007252 -0.008491 -0.007626 0.007240 -0.011058 -0.008547 5C 1f-3 -0.014057 0.009614 -0.003441 -0.009282 0.014542 0.008562 6C 1s 0.000127 -0.000342 0.001510 0.007366 0.003798 0.009205 6C 2s 0.000163 -0.001225 0.002391 0.017303 0.007934 0.021942 6C 3s 0.069869 -0.028359 0.012033 -0.132273 0.144685 -0.106316 6C 4s -0.090073 0.233222 -0.120799 0.610301 -1.814370 0.198602 6C 5s -6.958638 2.770586 1.224106 0.619959 1.958376 1.349951 6C 1pz 0.012932 0.004400 0.017005 -0.071314 -0.013180 -0.017077 6C 1px 0.027336 -0.037104 -0.137853 0.001653 -0.026686 0.036492 6C 1py -0.006365 0.006814 -0.000016 0.013538 0.100768 0.008536 6C 2pz 0.329706 0.044002 -0.060711 -0.061998 0.135477 -0.005949 6C 2px -0.188821 -0.161247 0.145728 0.022277 0.061903 -0.075051 6C 2py -0.298535 0.136083 0.055090 0.085055 -0.278976 0.060257 6C 3pz -2.692241 1.544160 0.578368 0.676106 2.407889 0.954243 6C 3px -1.411177 0.950375 0.329023 -1.065351 1.454975 -0.638676 6C 3py 4.505727 -1.819907 -0.545632 0.356022 -4.504659 -0.656005 6C 1dz2 0.002689 0.001179 0.003616 -0.004240 0.010647 -0.002737 6C 1dxz 0.008021 -0.002386 0.000951 0.002699 0.006158 0.001759 6C 1dyz -0.005490 -0.002139 -0.003568 -0.003821 0.010960 0.000055 6C 1dx2y2 -0.002932 0.002814 -0.004960 -0.005629 -0.003723 0.002884 6C 1dxy -0.012575 0.000464 0.003846 -0.005791 0.000581 -0.004092 6C 2dz2 -0.101619 -0.196240 0.038260 -0.103171 0.159396 -0.032969 6C 2dxz 0.078319 -0.155592 -0.160102 -0.170597 0.181678 -0.065830 6C 2dyz 0.163783 0.141265 -0.024494 0.073036 0.005974 0.057883 6C 2dx2y2 -0.115930 -0.012328 -0.067075 0.148814 -0.131206 0.054714 6C 2dxy -0.156141 -0.028265 0.232291 0.123903 -0.058022 0.058239 6C 1f0 -0.010795 -0.000198 0.007461 0.004548 -0.007826 0.000148 6C 1f+1 -0.005188 0.006301 -0.009360 0.006883 -0.012664 0.002226 6C 1f-1 -0.007027 -0.008334 0.002396 -0.001830 0.003793 -0.001034 6C 1f+2 0.005687 0.002187 -0.004206 -0.005619 0.000664 -0.000571 6C 1f-2 0.019115 -0.005925 -0.011982 -0.012857 0.014415 -0.005314 6C 1f+3 -0.007305 0.007832 -0.007509 0.007796 -0.013196 0.005999 6C 1f-3 0.014282 -0.008528 -0.003460 -0.009859 0.016430 -0.004465 7C 1s 0.008086 -0.006832 0.004756 -0.002870 -0.001249 0.007106 7C 2s 0.019188 -0.015610 0.011491 -0.005253 -0.004144 0.017336 7C 3s -0.086575 0.081379 -0.105001 -0.074904 0.125669 -0.070606 7C 4s 0.086979 -0.343516 0.533503 0.852336 -0.969149 0.050335 7C 5s 2.700168 -1.460660 -0.419327 -1.679373 1.287327 -0.844175 7C 1pz 0.062966 -0.028807 0.015987 0.035406 0.001472 0.026449 7C 1px -0.021654 0.033910 -0.125393 0.032223 0.016544 -0.023164 7C 1py 0.011485 -0.004190 -0.071372 0.041937 -0.066948 0.006123 7C 2pz -0.115518 0.173549 0.064713 0.022195 0.038230 0.083412 7C 2px 0.034412 -0.070232 -0.236044 -0.285932 0.196301 -0.090023 7C 2py -0.127950 -0.047723 -0.077410 -0.124582 0.146116 -0.004478 7C 3pz 0.917236 0.126174 -0.252782 -1.609887 2.068611 -1.223760 7C 3px 0.515349 -0.130747 -0.656800 -0.806873 0.581979 -0.193188 7C 3py 0.795434 -0.446568 -0.084895 -1.439840 1.801348 -1.043095 7C 1dz2 -0.002449 0.002076 0.001054 -0.003606 0.008428 0.000502 7C 1dxz -0.007208 0.006460 0.006837 0.003756 0.001010 -0.000051 7C 1dyz -0.005114 -0.002897 0.005531 0.002615 -0.009533 -0.000341 7C 1dx2y2 0.011515 -0.002987 -0.001740 0.007790 0.002255 -0.001624 7C 1dxy -0.002282 0.001121 0.005812 0.009221 -0.006032 0.002922 7C 2dz2 -0.086702 -0.154826 -0.010685 -0.097739 0.149142 -0.012940 7C 2dxz -0.111637 0.003147 -0.178884 0.049964 0.097087 -0.007161 7C 2dyz 0.061148 0.113655 -0.061986 0.050017 -0.039069 0.005247 7C 2dx2y2 -0.063223 -0.224593 0.110951 0.021568 -0.045292 -0.023049 7C 2dxy 0.035027 0.044010 -0.038427 0.116111 -0.116265 0.027025 7C 1f0 0.004259 0.000830 0.007707 0.002858 -0.010518 -0.000005 7C 1f+1 0.008705 -0.007805 0.005303 0.004985 -0.014730 -0.001369 7C 1f-1 0.001556 0.000432 0.004281 0.005377 -0.004444 0.000684 7C 1f+2 -0.002777 0.014073 -0.012295 0.000536 0.004570 0.001786 7C 1f-2 0.001605 0.000746 0.001568 -0.003593 0.002969 0.000421 7C 1f+3 -0.004745 0.000609 -0.004658 0.002051 -0.003136 0.000346 7C 1f-3 0.003978 -0.000954 0.003438 0.014543 -0.008703 0.001899 8C 1s -0.009171 0.002645 -0.004895 -0.011171 -0.005125 -0.007251 8C 2s -0.024360 0.006005 -0.011487 -0.028717 -0.010805 -0.017747 8C 3s 0.049370 0.006144 -0.007215 0.054458 -0.010685 0.009196 8C 4s -0.278967 0.045163 0.334160 0.137815 0.139740 0.224703 8C 5s 9.833546 -4.010243 -1.979955 0.649628 -5.955121 -1.414025 8C 1pz 0.042445 0.005109 -0.015330 0.035969 0.010163 0.021018 8C 1px -0.019115 0.011580 0.045146 -0.001881 0.004473 0.007322 8C 1py -0.025638 0.045078 0.009932 0.025017 -0.061534 -0.021356 8C 2pz 0.251042 0.085952 -0.068525 0.137285 0.085204 0.069621 8C 2px -0.077798 0.025942 0.211602 0.079647 0.043269 0.080844 8C 2py -0.118782 0.175058 0.051335 -0.006058 -0.297925 -0.103444 8C 3pz -1.412260 0.180155 0.057700 -1.077743 0.798158 -0.420582 8C 3px -1.134666 0.293656 -0.074006 0.506915 0.790381 0.399327 8C 3py 2.498165 -1.334751 -0.379618 0.013328 -1.332079 -0.145525 8C 1dz2 0.000204 0.001457 -0.001396 -0.000443 -0.000612 -0.000168 8C 1dxz 0.004075 0.000543 0.000363 0.000531 -0.002034 0.000273 8C 1dyz -0.004659 -0.001801 0.000484 -0.001004 0.002442 -0.001361 8C 1dx2y2 -0.004451 0.005860 0.004390 0.002733 0.001147 0.001071 8C 1dxy -0.001536 0.003687 -0.004333 -0.001340 0.001354 0.000738 8C 2dz2 0.095405 0.162968 0.022548 0.083709 -0.040919 0.038614 8C 2dxz -0.061041 0.027182 0.001589 0.050562 -0.055208 0.018011 8C 2dyz -0.034453 -0.008681 0.029570 0.086969 0.101253 0.073282 8C 2dx2y2 0.032373 0.016322 -0.028404 0.004287 0.025709 0.011516 8C 2dxy 0.014195 -0.073453 0.058284 0.049221 0.077495 0.026104 8C 1f0 -0.004823 -0.000239 -0.001361 -0.007558 -0.002799 -0.003766 8C 1f+1 -0.001635 0.002395 0.000326 -0.002168 -0.000360 -0.000236 8C 1f-1 -0.008970 -0.002533 -0.001462 -0.002085 -0.003606 -0.002764 8C 1f+2 0.009521 -0.004531 0.006826 0.009384 0.002459 0.008415 8C 1f-2 0.007023 -0.002801 0.000141 0.005042 -0.000262 0.002925 8C 1f+3 -0.000273 -0.004836 0.000078 -0.000433 0.005751 0.000700 8C 1f-3 0.002681 0.002961 0.001359 -0.000036 -0.003036 -0.000017 9C 1s 0.003945 0.002756 -0.011183 0.006392 0.000611 -0.004348 9C 2s 0.011626 0.006489 -0.028866 0.013899 0.002788 -0.010487 9C 3s -0.049970 0.002764 0.065729 0.024064 -0.036809 0.004367 9C 4s 0.263925 -0.180551 0.001918 -0.397573 0.203711 0.021594 9C 5s -3.509977 1.109511 1.384138 3.550296 -3.929968 2.230909 9C 1pz -0.004145 0.023962 0.002910 -0.013568 -0.018141 0.025639 9C 1px 0.042288 -0.018743 -0.008274 -0.026660 0.004877 0.005067 9C 1py -0.007080 -0.033099 0.007662 -0.023726 0.061754 0.015847 9C 2pz -0.045728 0.107368 0.110864 -0.040922 -0.056702 0.098692 9C 2px 0.127324 -0.043527 0.072555 -0.109669 -0.007844 0.022057 9C 2py -0.144772 -0.170877 0.123184 -0.103759 0.205589 0.084437 9C 3pz 0.925327 -0.380792 -0.507856 -0.728513 1.136361 -0.777341 9C 3px -0.312055 0.029234 0.459628 -0.092471 0.119681 -0.171246 9C 3py 0.461530 0.290630 -0.425718 -0.334921 0.168054 -0.338557 9C 1dz2 0.000714 0.002975 -0.002774 0.001102 -0.002573 0.001083 9C 1dxz 0.000192 0.002794 0.002275 0.000911 -0.001325 0.001845 9C 1dyz -0.001860 -0.001479 0.001598 -0.000458 -0.000270 0.001836 9C 1dx2y2 0.001348 0.001552 0.002775 -0.000875 -0.001518 0.000604 9C 1dxy 0.000134 -0.002687 0.002018 -0.000394 0.000808 -0.000525 9C 2dz2 0.060531 0.115696 0.042051 0.071549 -0.160962 0.005796 9C 2dxz 0.036161 -0.008369 -0.107078 -0.021756 -0.022533 -0.046992 9C 2dyz -0.005161 -0.058579 -0.102522 0.041862 0.056924 -0.039441 9C 2dx2y2 0.048476 0.052994 -0.033913 -0.022924 -0.052690 0.000200 9C 2dxy 0.047005 0.102805 -0.092096 -0.008952 -0.035414 0.009592 9C 1f0 0.004774 0.003531 -0.005886 0.000582 0.005621 -0.000696 9C 1f+1 0.002075 0.004481 0.002136 -0.000317 -0.000943 0.000177 9C 1f-1 -0.000184 0.001750 0.000425 0.001170 -0.000782 0.000476 9C 1f+2 -0.001661 0.001575 0.008122 -0.001428 0.001783 0.003553 9C 1f-2 0.000734 0.001667 -0.001333 0.004603 0.001365 -0.002998 9C 1f+3 -0.005362 -0.003969 0.009662 -0.005477 0.003634 0.004457 9C 1f-3 -0.000231 -0.002227 -0.001088 -0.003498 -0.000212 0.000332 10H 1s 0.012315 -0.007714 0.003292 -0.003709 0.003661 -0.009607 10H 2s 0.326869 -0.063953 0.307344 -0.008324 0.035364 -0.225326 10H 3s -0.208496 -0.058792 -0.492094 0.297250 -0.183795 -0.064037 10H 1pz 0.006168 0.002436 0.021169 0.001496 -0.000515 -0.006301 10H 1px -0.004389 -0.000583 -0.000081 0.001290 -0.007483 0.001993 10H 1py 0.012761 0.006863 0.014898 -0.000176 0.004043 -0.006239 11H 1s 0.004834 0.009780 0.019096 -0.013856 0.003786 -0.009599 11H 2s 0.068855 0.006848 0.374351 -0.193504 -0.123695 -0.220105 11H 3s 0.494143 0.012642 0.270275 0.364232 -0.013689 0.102945 11H 1pz -0.010292 -0.017890 0.004457 -0.000337 -0.013130 -0.008492 11H 1px -0.002110 0.004162 0.008894 -0.011536 -0.001345 -0.001025 11H 1py -0.000805 -0.011323 -0.003398 0.004308 -0.004295 -0.004612 12H 1s 0.006660 0.000716 0.024965 -0.013881 0.003351 -0.020313 12H 2s 0.261340 0.181779 0.408998 -0.242134 0.180958 -0.239902 12H 3s 0.428727 -0.628291 0.031416 0.485050 -0.633647 -0.225741 12H 1pz 0.009003 0.013081 -0.007157 0.003035 0.003024 0.006527 12H 1px 0.001191 0.001001 0.008120 -0.009368 0.001154 -0.003094 12H 1py 0.016227 0.018987 0.006721 -0.010755 0.015651 -0.001591 13H 1s -0.033186 0.023032 -0.009554 0.014765 0.018455 -0.007090 13H 2s -0.787688 0.271817 -0.134995 0.274443 0.243929 -0.128690 13H 3s -0.412515 0.230878 -0.158163 -0.840382 -0.740991 0.463070 13H 1pz -0.025361 -0.003144 0.002528 0.005486 0.003384 -0.003527 13H 1px 0.010663 -0.008188 0.005217 0.002337 -0.006164 -0.001288 13H 1py 0.017147 0.004185 -0.003429 -0.009056 -0.003187 0.004747 14H 1s -0.024885 0.017136 0.005291 0.010984 0.020826 -0.003254 14H 2s -0.493748 0.112788 0.158188 0.402515 0.203709 -0.232909 14H 3s -0.276682 0.454952 -0.460013 -0.111608 -0.304215 0.267262 14H 1pz -0.020282 -0.009816 -0.000316 0.008449 -0.005651 -0.008338 14H 1px -0.001741 -0.000971 0.011864 0.017952 0.006628 -0.012649 14H 1py 0.011582 0.009579 0.001184 -0.006051 0.007930 0.007495 15H 1s -0.019859 0.002847 0.006175 0.012921 0.024443 -0.012419 15H 2s -0.365565 0.220404 0.129021 0.308725 0.348946 -0.214423 15H 3s -0.435241 -0.288826 -0.247514 0.651878 -0.326983 -0.068460 15H 1pz -0.001718 0.014095 -0.007564 -0.010124 -0.013926 0.007694 15H 1px 0.003475 0.003827 0.004305 0.004824 -0.000797 -0.001264 15H 1py 0.001834 -0.025141 -0.004214 -0.007812 -0.003281 0.004933 16H 1s -0.022652 0.032331 0.009530 0.026209 0.001050 -0.017561 16H 2s -0.112486 -0.016370 0.225567 -0.059555 -0.103678 0.152147 16H 3s 0.318459 -0.667679 0.421721 -0.287954 -0.431732 0.552911 16H 1pz 0.010909 -0.016180 0.016242 -0.017349 0.000670 0.015937 16H 1px -0.003827 0.010483 0.007501 0.019115 -0.004393 -0.007970 16H 1py -0.004298 -0.011976 0.010741 -0.006873 -0.017657 0.012789 17H 1s 0.011852 -0.007859 -0.009034 0.015333 0.003921 -0.033627 17H 2s -0.149449 -0.133309 0.005461 -0.205205 -0.125969 0.249734 17H 3s 0.021612 0.016413 0.076540 -0.828564 0.145529 1.094701 17H 1pz -0.002108 0.007092 0.003117 0.013407 0.002393 -0.010054 17H 1px 0.032755 0.000934 -0.006740 0.014284 0.028681 -0.032350 17H 1py -0.007569 -0.008142 0.005467 -0.021456 -0.001150 0.024260 18H 1s 0.010651 -0.006655 0.008201 -0.017213 0.006836 -0.032800 18H 2s -0.154021 -0.145345 -0.008107 0.198438 0.050868 0.286294 18H 3s 0.025741 -0.039052 -0.051157 0.857190 -0.473202 1.023785 18H 1pz 0.001493 -0.008524 0.003026 0.013880 -0.000937 0.011762 18H 1px -0.032065 -0.002209 -0.006869 0.015349 0.017886 0.040114 18H 1py 0.007178 0.009257 0.005121 -0.020824 0.006244 -0.023336 19H 1s -0.022481 0.034082 -0.009750 -0.024334 0.004710 -0.016297 19H 2s -0.108609 -0.003782 -0.225231 0.057288 0.058323 0.174964 19H 3s 0.334735 -0.676267 -0.417529 0.259304 0.240201 0.664771 19H 1pz -0.011135 0.015360 0.015905 -0.015720 0.005336 -0.013435 19H 1px 0.003385 -0.011048 0.007380 0.018057 -0.006180 0.005316 19H 1py 0.003620 0.012104 0.011024 -0.006883 -0.013018 -0.018124 20H 1s -0.020309 0.003343 -0.006705 -0.013135 -0.019529 -0.018129 20H 2s -0.367710 0.237892 -0.135067 -0.300110 -0.272247 -0.304154 20H 3s -0.437668 -0.249971 0.245357 -0.665433 0.327570 0.042433 20H 1pz 0.001812 -0.013508 -0.007870 -0.010965 -0.011082 -0.011246 20H 1px -0.003898 -0.004037 0.004466 0.004642 -0.001061 0.001594 20H 1py -0.001714 0.025930 -0.003865 -0.006298 -0.002056 -0.006439 21H 1s -0.025067 0.017482 -0.005497 -0.010065 -0.018927 -0.008599 21H 2s -0.488747 0.132193 -0.169238 -0.399974 -0.125443 -0.260059 21H 3s -0.288781 0.439768 0.467414 0.134936 0.203917 0.323856 21H 1pz 0.020063 0.009342 0.000531 0.009496 -0.008249 0.005529 21H 1px 0.001056 0.000015 0.012239 0.017935 0.002775 0.013093 21H 1py -0.011609 -0.009217 0.000874 -0.006755 0.009956 -0.004510 22H 1s -0.033926 0.023708 0.009331 -0.013877 -0.015271 -0.012188 22H 2s -0.800546 0.287239 0.125543 -0.268144 -0.191724 -0.178399 22H 3s -0.414691 0.172711 0.167308 0.858625 0.579428 0.658603 22H 1pz 0.025413 0.002728 0.003041 0.005955 0.002135 0.002635 22H 1px -0.011164 0.008086 0.005137 0.002589 -0.006048 -0.000533 22H 1py -0.017340 -0.003407 -0.003874 -0.009551 -0.001757 -0.004661 23H 1s 0.006786 0.000754 -0.025333 0.013415 0.002915 -0.021161 23H 2s 0.259669 0.175897 -0.409199 0.243500 -0.104092 -0.291049 23H 3s 0.444693 -0.578166 -0.047279 -0.510956 0.674955 -0.014668 23H 1pz -0.008929 -0.013045 -0.007487 0.002392 0.004850 -0.005238 23H 1px -0.000972 -0.000385 0.007747 -0.009068 0.000211 0.003481 23H 1py -0.015916 -0.018219 0.006335 -0.011692 0.014772 0.006065 24H 1s 0.004930 0.009534 -0.019393 0.014142 -0.000616 -0.011844 24H 2s 0.072687 0.006149 -0.381712 0.186417 0.187904 -0.195173 24H 3s 0.495453 0.043501 -0.250277 -0.359663 -0.027162 0.099539 24H 1pz 0.009978 0.017669 0.005019 0.001211 -0.015583 0.004247 24H 1px 0.002132 -0.003615 0.008890 -0.011751 -0.001461 0.001095 24H 1py 0.000719 0.010842 -0.003031 0.004793 -0.005466 0.002183 25H 1s 0.012381 -0.007283 -0.003706 0.002767 -0.000060 -0.011983 25H 2s 0.332046 -0.051858 -0.314819 -0.003351 0.043577 -0.245528 25H 3s -0.208348 -0.041557 0.479123 -0.292580 0.190414 0.042863 25H 1pz -0.006449 -0.002766 0.021433 0.001471 -0.002510 0.005767 25H 1px 0.004556 0.000624 -0.000375 0.001140 -0.006079 -0.004653 25H 1py -0.012803 -0.006906 0.014749 -0.000423 0.002042 0.006557 26O 1s 0.003058 0.000484 0.000395 0.001778 -0.003127 0.000015 26O 2s 0.005947 0.000810 0.001025 0.004981 -0.007469 0.000374 26O 3s 0.016276 0.004682 -0.007009 -0.021421 0.013642 -0.004430 26O 4s -0.169638 -0.047429 -0.005903 -0.023761 0.085428 0.068923 26O 5s 0.275659 0.207647 0.394920 1.016794 -1.076457 -0.774433 26O 1pz 0.036859 -0.008118 0.026862 -0.018081 0.015367 -0.008377 26O 1px -0.050447 0.022836 -0.059496 0.070542 -0.030028 -0.005548 26O 1py 0.013336 0.007014 0.030318 -0.009651 -0.015089 0.004295 26O 2pz 0.070066 -0.009210 0.119254 -0.049102 0.040691 0.004344 26O 2px -0.071127 0.030591 -0.132012 0.048331 0.017601 0.024189 26O 2py 0.038147 0.008670 0.115440 -0.066745 0.019500 0.017395 26O 3pz 0.046948 0.048854 -0.843045 0.173366 -0.010265 -0.131615 26O 3px 0.267247 0.012265 -0.133577 -0.902370 0.730939 0.454915 26O 3py -0.177904 -0.315588 -0.843793 -0.114061 0.153882 0.047070 26O 1dz2 -0.002451 -0.000958 0.003453 0.003202 -0.003453 -0.000048 26O 1dxz 0.000791 -0.000074 -0.005857 0.000745 0.000933 0.001281 26O 1dyz 0.001462 0.001546 -0.000061 0.000929 0.000100 0.001365 26O 1dx2y2 0.001308 0.002420 -0.000746 -0.006680 0.004631 0.003186 26O 1dxy -0.001845 -0.004908 -0.006244 -0.002149 0.000611 -0.000006 26O 2dz2 -0.002121 -0.006517 0.010360 -0.015109 0.009278 0.009703 26O 2dxz 0.006068 -0.005739 0.007037 0.013102 -0.008578 -0.002096 26O 2dyz 0.000509 0.011166 0.026846 0.004718 0.004126 -0.008865 26O 2dx2y2 -0.023024 -0.000576 -0.006487 0.033488 -0.016862 -0.004951 26O 2dxy -0.005287 -0.002587 0.005108 0.029279 -0.031152 -0.021168 26O 1f0 0.000791 -0.000702 0.000897 0.000417 -0.000056 -0.000107 26O 1f+1 0.000009 0.000095 0.000053 0.002045 -0.000457 -0.001080 26O 1f-1 -0.000528 0.000410 -0.000485 0.000894 0.000415 -0.001035 26O 1f+2 0.000268 0.001820 0.000319 0.000170 0.001512 0.000453 26O 1f-2 -0.000600 -0.000069 -0.001589 -0.000161 0.000919 -0.000015 26O 1f+3 -0.002601 -0.001924 -0.000820 0.001776 -0.001809 -0.001380 26O 1f-3 -0.000774 0.000255 0.000870 0.002173 -0.002461 -0.001473 27O 1s -0.000256 -0.002711 -0.001197 0.007608 -0.004346 -0.007412 27O 2s 0.000700 -0.006851 -0.003428 0.018122 -0.009661 -0.018218 27O 3s -0.026728 0.021663 0.015239 -0.025637 0.002133 0.034762 27O 4s 0.168806 -0.027878 -0.016347 -0.136491 0.215266 0.095606 27O 5s -0.632175 -0.163494 -0.441509 0.821252 -1.615470 -0.663067 27O 1pz 0.014369 -0.002700 0.030754 0.046276 0.030943 -0.016823 27O 1px -0.004375 -0.013178 -0.075192 0.001273 -0.057432 -0.021872 27O 1py 0.019785 -0.001419 0.010345 -0.020940 -0.052248 -0.004104 27O 2pz 0.062646 -0.016684 0.107200 0.153957 0.077726 -0.072181 27O 2px -0.007538 0.039970 -0.038525 -0.046807 -0.034419 0.001076 27O 2py 0.002594 0.005798 -0.046731 -0.069138 -0.172070 0.007930 27O 3pz -0.438790 0.460525 -0.560328 -0.709278 -0.414173 0.473885 27O 3px 0.089429 0.367616 0.325126 -0.444582 1.050157 0.756757 27O 3py 0.609593 -0.297914 0.453766 0.593996 0.601388 -0.453411 27O 1dz2 -0.001927 -0.004105 -0.000369 0.001602 -0.003476 -0.001577 27O 1dxz -0.000761 0.004258 -0.004515 -0.004830 -0.001030 0.002551 27O 1dyz -0.001283 0.002067 -0.000838 -0.001331 -0.000217 0.001348 27O 1dx2y2 0.001214 0.004052 0.000430 0.000182 0.006623 0.001828 27O 1dxy 0.003135 0.000282 0.003151 0.003391 0.002280 -0.000726 27O 2dz2 -0.009701 0.000688 0.020620 -0.005578 0.018537 0.015496 27O 2dxz -0.008194 0.003483 0.006928 0.010636 0.008456 0.001496 27O 2dyz 0.002302 0.002443 -0.031236 -0.012226 0.009826 0.005788 27O 2dx2y2 -0.009025 -0.018208 -0.033259 0.005457 -0.037393 -0.025402 27O 2dxy 0.010406 0.010009 0.012449 -0.026036 0.015948 0.016485 27O 1f0 -0.000690 -0.001837 0.000485 0.001481 0.000476 -0.000467 27O 1f+1 0.000478 -0.000385 -0.001323 0.000998 -0.000998 -0.002248 27O 1f-1 -0.000293 -0.000368 -0.000151 -0.000193 -0.000266 0.000551 27O 1f+2 0.001298 0.000644 -0.000805 -0.001183 0.000107 0.000277 27O 1f-2 0.000041 -0.001686 0.000559 0.000779 -0.000630 -0.001172 27O 1f+3 -0.000417 -0.001077 -0.002135 0.000535 -0.002512 -0.001848 27O 1f-3 -0.000095 -0.000027 0.001528 -0.002945 -0.000256 0.002421 28O 1s -0.000099 0.004306 0.009229 0.002272 -0.003079 -0.001952 28O 2s -0.001564 0.011179 0.021699 0.004230 -0.007206 -0.004263 28O 3s 0.023671 -0.032664 -0.026234 0.016272 0.009213 -0.001087 28O 4s -0.069139 0.003380 -0.144770 -0.174338 0.076008 0.081316 28O 5s -0.335069 0.488925 0.269751 0.403580 -0.537205 -0.445672 28O 1pz -0.006477 0.009455 0.041093 -0.012384 0.006868 -0.015948 28O 1px 0.088710 -0.062943 -0.000496 -0.003505 0.010294 0.002007 28O 1py -0.013687 0.021235 0.025500 -0.016305 0.008499 0.021509 28O 2pz 0.040092 -0.045214 0.009569 -0.029279 0.029194 -0.027667 28O 2px 0.104608 -0.056444 0.060336 -0.028411 -0.009230 -0.007499 28O 2py -0.032939 0.069511 0.030149 -0.052411 0.041714 0.076170 28O 3pz 0.014702 -0.262915 0.024132 0.231338 0.152019 0.079403 28O 3px -0.316568 0.518762 0.053187 0.169993 -0.284929 -0.193056 28O 3py 0.101381 -0.515088 -0.046724 0.232716 -0.134607 -0.413338 28O 1dz2 -0.000386 0.000852 -0.002032 -0.000831 0.000372 -0.001455 28O 1dxz -0.001030 0.001153 -0.002752 -0.000973 -0.001819 0.001617 28O 1dyz -0.000215 -0.000100 -0.002515 0.000601 -0.000386 0.000835 28O 1dx2y2 0.000323 -0.003902 0.002434 -0.000395 -0.000328 -0.002036 28O 1dxy 0.000227 0.003791 0.000445 -0.001293 0.001165 0.001799 28O 2dz2 -0.012364 -0.012893 0.012895 0.002474 -0.005972 -0.004236 28O 2dxz 0.010500 -0.043633 -0.025282 0.003892 0.003944 0.012289 28O 2dyz -0.012195 0.013256 -0.010970 -0.010575 -0.005118 0.002531 28O 2dx2y2 -0.032110 0.001673 0.002898 0.006369 -0.017905 -0.009840 28O 2dxy 0.000956 0.004933 -0.021053 0.001396 0.014448 0.006597 28O 1f0 -0.000623 0.002034 0.000406 0.000595 0.001348 -0.000010 28O 1f+1 -0.000750 0.000745 0.002644 -0.000445 -0.000441 -0.000740 28O 1f-1 -0.000522 -0.001349 0.000450 0.000041 -0.000106 -0.000915 28O 1f+2 0.002328 -0.001348 -0.001275 0.000150 0.001690 0.001980 28O 1f-2 0.000110 0.001930 0.001596 -0.001072 0.000458 -0.000444 28O 1f+3 0.001674 -0.000451 0.000580 -0.000352 0.000861 0.000823 28O 1f-3 0.000567 0.000484 0.001920 -0.000792 -0.000373 -0.000502 29O 1s -0.004871 0.004941 0.002811 0.006814 0.000496 -0.009612 29O 2s -0.010322 0.010548 0.006021 0.014805 0.000936 -0.021084 29O 3s -0.009126 0.005938 0.005703 0.005199 0.001953 -0.004870 29O 4s 0.172113 -0.223034 -0.089327 -0.315856 -0.066857 0.433424 29O 5s -0.181035 0.604739 -0.045927 0.939388 0.361972 -1.293775 29O 1pz -0.051978 0.078134 -0.071430 -0.021194 0.035452 -0.001876 29O 1px -0.006560 -0.016456 0.032600 -0.073112 -0.013542 0.135339 29O 1py 0.023666 0.038326 -0.040582 0.107008 0.045445 -0.113627 29O 2pz -0.090994 0.169455 -0.151520 -0.056756 0.110340 -0.005654 29O 2px 0.001020 -0.033191 0.073709 -0.165437 -0.018474 0.317921 29O 2py 0.064035 0.068910 -0.084388 0.199459 0.075236 -0.231982 29O 3pz 0.271889 -0.490171 0.630212 0.242754 -0.415687 -0.022381 29O 3px 0.083411 0.163669 -0.298316 0.628936 0.081203 -1.163215 29O 3py -0.261999 -0.283712 0.310555 -0.699622 -0.259176 0.917580 29O 1dz2 -0.000425 -0.000499 0.003220 0.000239 -0.001419 0.001830 29O 1dxz -0.000976 -0.001138 -0.000166 -0.002511 -0.000926 0.002836 29O 1dyz 0.001092 -0.001257 0.004388 0.001914 -0.001403 -0.000589 29O 1dx2y2 0.000328 0.001038 -0.002141 0.001449 0.000747 -0.002308 29O 1dxy 0.000965 0.001901 -0.000959 0.004366 0.001974 -0.006198 29O 2dz2 -0.011779 0.008312 -0.002940 0.006955 -0.003810 0.001999 29O 2dxz 0.013637 -0.004920 -0.011951 -0.001187 0.006787 -0.007964 29O 2dyz -0.001126 0.008723 -0.012242 -0.000876 0.003412 -0.004264 29O 2dx2y2 0.012534 -0.010819 0.007527 -0.006900 0.006413 -0.007952 29O 2dxy -0.023171 -0.010078 0.008805 -0.015841 -0.012881 0.034906 29O 1f0 -0.000204 -0.001174 0.000108 -0.002041 -0.000668 0.001728 29O 1f+1 0.000727 0.000346 -0.000441 0.000203 0.001032 -0.000574 29O 1f-1 0.000007 -0.001687 0.000728 -0.002033 -0.000662 0.002218 29O 1f+2 -0.000710 0.000712 0.000443 0.001151 -0.000560 -0.000311 29O 1f-2 -0.001855 -0.000305 0.001063 -0.000666 -0.001414 0.002020 29O 1f+3 0.001173 -0.000103 0.000152 0.000218 0.000731 -0.000727 29O 1f-3 0.000731 -0.000070 -0.000222 0.000569 0.000442 -0.000922 30O 1s 0.003159 -0.006192 0.004342 0.003998 -0.003227 -0.002978 30O 2s 0.008926 -0.014826 0.010725 0.009697 -0.007585 -0.006612 30O 3s -0.043201 0.021690 -0.023792 -0.022379 0.009846 0.004561 30O 4s 0.076726 0.085800 -0.025153 -0.014740 0.155331 0.091804 30O 5s 0.443532 -0.140852 0.550645 0.251867 -1.816782 -0.560407 30O 1pz 0.006677 -0.035888 0.048089 0.023245 -0.023059 -0.036188 30O 1px -0.047024 0.000937 -0.035963 0.033508 0.082890 0.017692 30O 1py -0.023715 0.017845 -0.047539 -0.029756 -0.016020 -0.009826 30O 2pz -0.083489 -0.084602 0.015180 0.031073 0.002313 -0.038025 30O 2px 0.041333 -0.060095 0.003386 0.128504 0.111782 -0.007072 30O 2py 0.024424 0.013166 0.011802 -0.007762 -0.113542 -0.082646 30O 3pz -0.036404 0.582444 -0.124027 -0.476781 0.496061 0.308452 30O 3px 0.116873 0.375591 0.312418 -0.039219 -1.215578 -0.313411 30O 3py 0.507724 -0.215467 -0.020102 0.313094 -0.096174 0.148371 30O 1dz2 0.001063 0.002028 -0.000424 -0.001730 -0.001204 0.000868 30O 1dxz 0.001297 -0.003777 0.001087 0.002467 -0.006304 -0.003287 30O 1dyz 0.002616 0.000246 0.001088 0.003721 -0.000765 -0.001669 30O 1dx2y2 -0.000843 -0.003146 -0.000591 0.003784 0.004680 0.000044 30O 1dxy -0.006362 0.000306 -0.000107 -0.001596 0.003755 0.000864 30O 2dz2 -0.024527 -0.010313 0.006916 0.003307 0.012700 0.004917 30O 2dxz -0.034461 -0.013111 -0.023567 -0.004462 0.024320 0.010199 30O 2dyz -0.013742 0.019005 -0.014413 -0.017971 0.035841 0.017338 30O 2dx2y2 -0.009311 -0.006882 -0.003097 -0.008937 -0.013381 -0.005898 30O 2dxy 0.021045 -0.009313 0.030291 0.019295 -0.031061 -0.016080 30O 1f0 0.002617 -0.000261 0.000682 0.000359 -0.001142 -0.000228 30O 1f+1 -0.000412 -0.001199 0.001241 0.001149 -0.000009 0.000212 30O 1f-1 -0.001162 -0.001995 0.000031 0.001547 -0.000940 -0.000535 30O 1f+2 -0.000493 -0.001226 -0.000021 0.000393 0.001429 0.000737 30O 1f-2 -0.002020 0.000222 -0.002047 -0.001847 0.001948 0.001169 30O 1f+3 0.000630 0.000788 0.001622 0.001564 0.000804 0.000201 30O 1f-3 -0.001805 -0.000019 -0.000601 -0.000483 0.001512 0.000659 31O 1s 0.003410 -0.005860 -0.004438 -0.004314 0.003854 -0.001714 31O 2s 0.009559 -0.014009 -0.010954 -0.010428 0.008958 -0.003684 31O 3s -0.044752 0.019638 0.024029 0.023028 -0.010540 0.001413 31O 4s 0.074429 0.084428 0.026140 0.021698 -0.173471 0.036650 31O 5s 0.485921 -0.097248 -0.537855 -0.270139 1.892541 0.009888 31O 1pz -0.008973 0.032530 0.049499 0.026750 -0.033518 0.027644 31O 1px 0.048387 -0.001925 -0.035219 0.032672 0.084585 0.010259 31O 1py 0.025043 -0.015604 -0.047319 -0.029428 -0.019339 0.007947 31O 2pz 0.081767 0.081425 0.019834 0.039111 -0.012860 0.040507 31O 2px -0.042693 0.052652 0.004194 0.130319 0.106108 0.044039 31O 2py -0.024975 -0.013952 0.011458 -0.004877 -0.132920 0.045908 31O 3pz 0.058669 -0.540188 -0.142586 -0.520205 0.576564 -0.163276 31O 3px -0.134014 -0.390315 0.301871 -0.052694 -1.247379 -0.086608 31O 3py -0.524161 0.191270 -0.020408 0.307946 -0.047755 -0.146005 31O 1dz2 0.001010 0.001882 0.000506 0.001832 0.000838 0.001319 31O 1dxz 0.001493 -0.003533 -0.001168 -0.002782 0.007023 -0.001200 31O 1dyz 0.002702 0.000531 -0.001053 -0.003698 0.001189 -0.001303 31O 1dx2y2 -0.000884 -0.002944 0.000485 -0.003972 -0.004458 -0.001354 31O 1dxy -0.006516 0.000159 0.000023 0.001558 -0.003774 -0.000144 31O 2dz2 -0.024640 -0.010355 -0.007273 -0.003956 -0.013471 0.000989 31O 2dxz -0.035382 -0.014321 0.022885 0.003768 -0.025636 0.002136 31O 2dyz -0.015198 0.017344 0.014768 0.019169 -0.039380 0.006101 31O 2dx2y2 -0.009470 -0.007577 0.002727 0.008159 0.014893 -0.001455 31O 2dxy 0.022218 -0.007379 -0.030250 -0.019803 0.033828 -0.004002 31O 1f0 -0.002679 0.000210 0.000653 0.000336 -0.001151 -0.000024 31O 1f+1 0.000362 0.001088 0.001259 0.001202 0.000052 -0.000212 31O 1f-1 0.001116 0.001894 0.000093 0.001681 -0.001071 0.000131 31O 1f+2 0.000495 0.001221 -0.000004 0.000441 0.001584 -0.000290 31O 1f-2 0.002119 -0.000038 -0.002046 -0.001854 0.002183 -0.000499 31O 1f+3 -0.000652 -0.000882 0.001592 0.001498 0.000877 -0.000082 31O 1f-3 0.001836 0.000062 -0.000580 -0.000496 0.001616 -0.000084 32O 1s -0.004986 0.005452 -0.003089 -0.006926 0.002743 -0.009008 32O 2s -0.010582 0.011658 -0.006623 -0.015044 0.006150 -0.019723 32O 3s -0.009019 0.006401 -0.006044 -0.005451 -0.000033 -0.004862 32O 4s 0.175793 -0.243992 0.100480 0.319439 -0.077444 0.421624 32O 5s -0.190148 0.653502 0.023508 -0.937750 0.053890 -1.326457 32O 1pz 0.054120 -0.073085 -0.071352 -0.029470 0.033894 0.007299 32O 1px 0.005466 0.021686 0.030758 -0.075751 0.027337 -0.138361 32O 1py -0.021442 -0.045223 -0.040209 0.105373 0.011071 0.121744 32O 2pz 0.096547 -0.158829 -0.151474 -0.073778 0.104884 0.029762 32O 2px -0.002897 0.044816 0.069251 -0.170975 0.075967 -0.320666 32O 2py -0.060010 -0.081839 -0.084413 0.195616 0.006877 0.245349 32O 3pz -0.295754 0.438144 0.626945 0.298878 -0.406098 -0.070432 32O 3px -0.079613 -0.205738 -0.286988 0.644025 -0.263026 1.183363 32O 3py 0.249740 0.322927 0.315104 -0.682796 0.010377 -0.961913 32O 1dz2 -0.000419 -0.000262 -0.003048 -0.000163 0.000782 0.002177 32O 1dxz -0.001056 -0.001328 0.000228 0.002573 0.000003 0.003275 32O 1dyz 0.001226 -0.000913 -0.004458 -0.002080 0.001564 -0.000245 32O 1dx2y2 0.000244 0.001054 0.002195 -0.001335 -0.000058 -0.002413 32O 1dxy 0.000958 0.002137 0.000954 -0.004304 -0.000102 -0.006658 32O 2dz2 -0.011267 0.007046 0.002729 -0.005915 0.003470 0.003833 32O 2dxz 0.013843 -0.004146 0.012100 -0.000427 -0.003561 -0.011491 32O 2dyz -0.001686 0.007747 0.012281 0.001671 -0.002024 -0.005013 32O 2dx2y2 0.013033 -0.011076 -0.007331 0.006149 -0.004650 -0.009475 32O 2dxy -0.022229 -0.010755 -0.008848 0.015606 0.002045 0.037396 32O 1f0 0.000170 0.001167 0.000038 -0.001894 -0.000114 -0.001665 32O 1f+1 -0.000747 -0.000450 -0.000473 0.000300 0.000825 0.001000 32O 1f-1 0.000034 0.001735 0.000748 -0.001961 -0.000050 -0.002362 32O 1f+2 0.000662 -0.000795 0.000414 0.001176 -0.000620 0.000157 32O 1f-2 0.001809 0.000322 0.001045 -0.000689 -0.000745 -0.002374 32O 1f+3 -0.001088 0.000089 0.000156 0.000207 0.000457 0.000800 32O 1f-3 -0.000758 0.000034 -0.000225 0.000569 0.000197 0.001032 33O 1s 0.000072 0.004421 -0.009099 -0.002020 0.003274 -0.000414 33O 2s -0.001163 0.011391 -0.021382 -0.003553 0.007558 -0.000738 33O 3s 0.023198 -0.031753 0.025592 -0.018571 -0.007552 -0.003884 33O 4s -0.071956 -0.003229 0.144265 0.176425 -0.093093 0.032874 33O 5s -0.324010 0.469471 -0.274384 -0.384666 0.631803 -0.137278 33O 1pz 0.006661 -0.008013 0.041276 -0.012466 0.001729 0.016346 33O 1px -0.088813 0.060968 -0.001211 -0.000351 0.009880 0.009003 33O 1py 0.014118 -0.020196 0.025002 -0.018480 0.015069 -0.016824 33O 2pz -0.039058 0.047069 0.010389 -0.026956 0.016805 0.044562 33O 2px -0.105397 0.056623 0.058222 -0.025524 -0.010337 0.015136 33O 2py 0.034333 -0.065685 0.028071 -0.059184 0.063277 -0.052563 33O 3pz -0.015200 0.227325 0.031137 0.251665 0.172860 -0.056956 33O 3px 0.311090 -0.511274 0.056813 0.143734 -0.321261 0.007386 33O 3py -0.108164 0.492184 -0.027296 0.279148 -0.256216 0.314979 33O 1dz2 -0.000402 0.000799 0.002028 0.000847 0.000035 -0.001222 33O 1dxz -0.001133 0.000779 0.002802 0.000984 0.001279 0.002204 33O 1dyz -0.000202 -0.000064 0.002491 -0.000612 0.000164 0.000891 33O 1dx2y2 0.000387 -0.003753 -0.002511 0.000156 0.000968 -0.002239 33O 1dxy 0.000146 0.003584 -0.000286 0.001568 -0.001725 0.001282 33O 2dz2 -0.012058 -0.013216 -0.013133 -0.003284 0.006892 -0.001766 33O 2dxz 0.010228 -0.042631 0.024839 -0.006156 -0.006326 0.007130 33O 2dyz -0.012674 0.011466 0.011029 0.011273 0.004213 0.003567 33O 2dx2y2 -0.031811 0.001621 -0.003541 -0.006436 0.020110 -0.001733 33O 2dxy 0.000607 0.004428 0.021244 -0.001052 -0.015660 0.001245 33O 1f0 0.000622 -0.002047 0.000385 0.000459 0.001335 0.000306 33O 1f+1 0.000699 -0.000720 0.002639 -0.000490 -0.000609 0.000541 33O 1f-1 0.000498 0.001295 0.000516 0.000149 -0.000373 0.000808 33O 1f+2 -0.002276 0.001331 -0.001308 0.000211 0.002158 -0.001251 33O 1f-2 -0.000114 -0.001856 0.001562 -0.001192 0.000349 0.000488 33O 1f+3 -0.001673 0.000450 0.000567 -0.000335 0.001058 -0.000448 33O 1f-3 -0.000586 -0.000458 0.001894 -0.000820 -0.000467 0.000304 34O 1s -0.000142 -0.002056 0.001070 -0.007782 0.006221 -0.006045 34O 2s 0.000935 -0.005285 0.003133 -0.018579 0.014339 -0.015171 34O 3s -0.026438 0.019365 -0.014960 0.027235 -0.012254 0.034207 34O 4s 0.164316 -0.039770 0.019549 0.134990 -0.230745 0.028002 34O 5s -0.628079 -0.090466 0.421848 -0.846210 1.743924 -0.199823 34O 1pz -0.015515 -0.000275 0.031246 0.046088 0.025027 0.024894 34O 1px 0.005758 0.012663 -0.074040 0.003775 -0.063736 0.008609 34O 1py -0.020804 0.001891 0.010869 -0.021359 -0.052437 -0.010606 34O 2pz -0.065262 0.006301 0.108168 0.154115 0.054999 0.087153 34O 2px 0.008858 -0.036855 -0.038468 -0.046797 -0.034941 -0.012313 34O 2py -0.004224 -0.002517 -0.045152 -0.070489 -0.166800 -0.050225 34O 3pz 0.448864 -0.412328 -0.568495 -0.734148 -0.266716 -0.534516 34O 3px -0.094999 -0.322263 0.311033 -0.482093 1.235776 -0.431117 34O 3py -0.607873 0.252989 0.446744 0.614845 0.468526 0.569599 34O 1dz2 -0.001939 -0.003974 0.000242 -0.001853 0.003861 -0.000328 34O 1dxz -0.000937 0.003945 0.004624 0.005132 0.000251 0.002488 34O 1dyz -0.001271 0.001951 0.000872 0.001423 -0.000135 0.001232 34O 1dx2y2 0.001280 0.003964 -0.000335 0.000115 -0.006934 -0.000346 34O 1dxy 0.003193 0.000556 -0.003069 -0.003330 -0.002110 -0.001199 34O 2dz2 -0.009242 -0.000067 -0.020431 0.005835 -0.022492 0.011348 34O 2dxz -0.007993 0.004075 -0.006956 -0.010177 -0.008667 -0.001551 34O 2dyz 0.001622 0.001075 0.031316 0.012686 -0.010728 -0.000001 34O 2dx2y2 -0.009566 -0.017635 0.032494 -0.007001 0.044042 -0.015739 34O 2dxy 0.010411 0.007986 -0.011937 0.027078 -0.020117 0.011648 34O 1f0 0.000679 0.001734 0.000526 0.001585 0.000324 0.000559 34O 1f+1 -0.000438 0.000296 -0.001299 0.001064 -0.001631 0.002076 34O 1f-1 0.000284 0.000397 -0.000144 -0.000193 -0.000092 -0.000711 34O 1f+2 -0.001237 -0.000552 -0.000844 -0.001239 0.000200 -0.000207 34O 1f-2 -0.000044 0.001623 0.000599 0.000894 -0.000939 0.000794 34O 1f+3 0.000432 0.001023 -0.002075 0.000640 -0.003005 0.001158 34O 1f-3 0.000067 0.000211 0.001503 -0.002955 0.000450 -0.002504 35O 1s 0.003094 0.000542 -0.000346 -0.001797 0.002955 0.000814 35O 2s 0.006057 0.001032 -0.000914 -0.005071 0.006949 0.002244 35O 3s 0.015595 0.002803 0.006940 0.022120 -0.011354 -0.007384 35O 4s -0.168431 -0.044016 0.006149 0.019719 -0.101970 0.034532 35O 5s 0.292671 0.258504 -0.411178 -0.989244 1.245419 -0.355057 35O 1pz -0.037409 0.009148 0.027442 -0.016565 0.011303 0.018641 35O 1px 0.050580 -0.025626 -0.058239 0.069227 -0.031683 -0.003131 35O 1py -0.013692 -0.006936 0.028651 -0.009974 -0.012339 -0.009903 35O 2pz -0.071461 0.010774 0.120164 -0.045558 0.038752 0.019070 35O 2px 0.072628 -0.030990 -0.130051 0.048398 0.020463 -0.018859 35O 2py -0.038217 -0.006804 0.110792 -0.065953 0.026226 -0.016240 35O 3pz -0.037725 -0.048044 -0.843526 0.155452 -0.049415 0.102017 35O 3px -0.251943 0.043114 -0.152878 -0.902495 0.830891 -0.171370 35O 3py 0.187186 0.335551 -0.823782 -0.099372 0.138113 0.037379 35O 1dz2 -0.002363 -0.000717 -0.003549 -0.003211 0.003294 0.001354 35O 1dxz 0.000744 0.000006 0.005872 -0.000674 -0.001259 0.001014 35O 1dyz 0.001489 0.001671 0.000178 -0.000820 -0.000572 0.001443 35O 1dx2y2 0.001226 0.001963 0.000864 0.006759 -0.005352 0.001328 35O 1dxy -0.001889 -0.005023 0.006126 0.001770 -0.000385 -0.000653 35O 2dz2 -0.002217 -0.007318 -0.010423 0.014423 -0.011562 0.006874 35O 2dxz 0.006488 -0.004849 -0.007217 -0.013259 0.008833 -0.000666 35O 2dyz 0.000429 0.010953 -0.026850 -0.004180 -0.001921 -0.007051 35O 2dx2y2 -0.022628 0.001197 0.005928 -0.033250 0.017551 0.001112 35O 2dxy -0.004710 -0.000867 -0.005609 -0.029520 0.035749 -0.010485 35O 1f0 -0.000797 0.000668 0.000896 0.000475 -0.000090 0.000187 35O 1f+1 -0.000039 -0.000232 0.000064 0.002020 -0.000725 0.000945 35O 1f-1 0.000539 -0.000432 -0.000461 0.000878 0.000116 0.001076 35O 1f+2 -0.000266 -0.001820 0.000268 0.000057 0.001613 -0.000146 35O 1f-2 0.000630 0.000115 -0.001574 -0.000180 0.000872 0.000245 35O 1f+3 0.002576 0.001800 -0.000733 0.001890 -0.002160 0.000755 35O 1f-3 0.000704 -0.000423 0.000911 0.002160 -0.002767 0.000720 222 223 224 225 226 227 0.61586 0.62748 0.63899 0.64919 0.65218 0.65392 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s 0.002250 0.006164 -0.000695 -0.000061 -0.001412 -0.000391 0Rh 2s -0.005338 -0.013523 0.002810 0.000870 0.002460 -0.001173 0Rh 3s 0.009821 0.027590 -0.002317 0.000183 -0.006718 -0.003006 0Rh 4s 0.022550 0.056360 -0.012750 -0.004204 -0.009781 0.006450 0Rh 5s 0.010109 0.042483 0.012254 0.009101 -0.017984 -0.028663 0Rh 6s -0.164600 -0.483439 0.018039 -0.014770 0.127938 0.082907 0Rh 7s 1.243787 2.368451 0.103827 0.063983 -0.512746 -0.669875 0Rh 8s -1.263083 2.110797 -0.517932 0.125684 -1.195948 0.633770 0Rh 1pz 0.012589 0.000799 -0.006032 -0.007920 -0.003468 -0.001518 0Rh 1px -0.000351 -0.001015 -0.003736 0.001137 -0.000870 -0.004021 0Rh 1py 0.012858 -0.002957 0.004092 -0.015603 -0.003137 0.008744 0Rh 2pz -0.043264 -0.002594 0.020533 0.027365 0.011947 0.005179 0Rh 2px 0.001402 0.003495 0.012915 -0.003880 0.003115 0.013790 0Rh 2py -0.044357 0.010280 -0.014311 0.053687 0.010257 -0.030325 0Rh 3pz 0.034210 -0.000929 -0.012094 -0.024295 -0.009936 -0.003255 0Rh 3px -0.004524 -0.002367 -0.011487 0.002491 -0.004920 -0.010421 0Rh 3py 0.038383 -0.010150 0.016218 -0.043041 0.001920 0.029004 0Rh 4pz 0.079942 0.016902 -0.055672 -0.039548 -0.019527 -0.012826 0Rh 4px 0.007342 -0.011856 -0.020174 0.009649 0.004244 -0.025775 0Rh 4py 0.068582 -0.013133 0.006104 -0.097593 -0.055621 0.036621 0Rh 5pz -0.032110 -0.031239 0.062132 -0.017590 -0.009661 -0.000222 0Rh 5px 0.004749 0.037736 0.010553 -0.008392 -0.020465 -0.008162 0Rh 5py 0.002240 0.010181 0.039651 0.018446 0.053840 0.022251 0Rh 6pz -0.376348 0.764815 -0.436704 0.904044 0.810670 0.996270 0Rh 6px -0.694538 -1.296267 -0.049949 -0.000062 0.409790 0.593846 0Rh 6py -1.311583 0.227698 -0.261086 1.541506 0.872898 -0.401692 0Rh 1dz2 -0.007938 -0.002336 -0.002002 -0.003725 0.007186 -0.001929 0Rh 1dxz 0.011115 -0.007194 0.002627 -0.004260 -0.012935 -0.005374 0Rh 1dyz -0.002773 0.003856 0.000149 -0.004265 0.009738 -0.008840 0Rh 1dx2y2 0.000641 0.007043 -0.000546 -0.002539 0.011221 -0.003282 0Rh 1dxy 0.017057 -0.011370 -0.003637 -0.003364 -0.039698 -0.009686 0Rh 2dz2 0.000610 0.000795 0.000479 0.000790 -0.001522 0.000511 0Rh 2dxz -0.003004 0.000777 -0.001283 0.000446 0.001805 0.001375 0Rh 2dyz 0.000379 -0.000200 0.000726 0.001556 -0.001093 0.001972 0Rh 2dx2y2 0.000733 -0.000680 0.000018 0.000648 -0.001292 -0.000017 0Rh 2dxy -0.001986 0.001355 0.001001 0.000215 0.007355 0.001928 0Rh 3dz2 0.012871 0.001144 0.001787 0.003850 -0.007746 0.001529 0Rh 3dxz -0.009099 0.010626 0.000380 0.006534 0.017873 0.004736 0Rh 3dyz 0.003771 -0.006709 -0.003400 0.001641 -0.014414 0.008776 0Rh 3dx2y2 -0.004364 -0.010582 0.000941 0.002224 -0.016486 0.006488 0Rh 3dxy -0.024691 0.016407 0.002766 0.005718 0.046537 0.010670 0Rh 4dz2 0.015196 0.011892 0.010709 0.016086 -0.027231 0.010449 0Rh 4dxz -0.052799 0.016971 -0.022162 0.009059 0.037135 0.025252 0Rh 4dyz 0.007534 -0.006201 0.011626 0.027801 -0.023008 0.038832 0Rh 4dx2y2 0.011815 -0.014477 0.001294 0.012061 -0.028025 0.002398 0Rh 4dxy -0.044173 0.031293 0.019288 0.005246 0.141187 0.038666 0Rh 5dz2 0.023931 0.002645 -0.063987 -0.061753 0.028577 -0.066753 0Rh 5dxz 0.160932 0.036004 0.110913 0.016201 -0.053759 -0.095499 0Rh 5dyz -0.007096 -0.025259 -0.097168 -0.139815 -0.050999 -0.167182 0Rh 5dx2y2 -0.106047 -0.082991 -0.009194 -0.044094 0.015169 0.042344 0Rh 5dxy 0.037595 -0.080897 -0.084658 0.004599 -0.274733 -0.120905 0Rh 1f0 0.008177 0.006673 0.002864 -0.006415 0.001675 -0.002784 0Rh 1f+1 0.010224 0.003357 -0.009142 0.009008 -0.002382 0.018896 0Rh 1f-1 0.001983 -0.006444 0.002525 -0.017262 0.007123 -0.011956 0Rh 1f+2 -0.006207 -0.012749 0.004448 -0.006992 0.010941 -0.008615 0Rh 1f-2 0.000199 -0.000882 0.000007 0.011356 0.000401 0.030740 0Rh 1f+3 -0.001278 -0.009812 -0.004180 -0.002373 0.008277 -0.003337 0Rh 1f-3 -0.001034 0.000390 0.001323 -0.005000 -0.017029 -0.017684 1Rh 1s -0.002300 -0.006206 -0.000721 -0.000162 0.001410 -0.000170 1Rh 2s 0.005385 0.013443 0.002858 0.001048 -0.002024 -0.001521 1Rh 3s -0.010084 -0.027884 -0.002437 -0.000298 0.006975 -0.001934 1Rh 4s -0.022703 -0.055898 -0.012945 -0.004909 0.007627 0.007796 1Rh 5s -0.011199 -0.044949 0.011983 0.007817 0.023520 -0.025381 1Rh 6s 0.169844 0.491041 0.020236 -0.005566 -0.139054 0.061977 1Rh 7s -1.235043 -2.420585 0.079752 0.033261 0.617383 -0.570995 1Rh 8s 1.140426 -2.087743 -0.451732 -0.001627 1.066442 0.733455 1Rh 1pz 0.012522 0.000687 0.005935 0.008073 -0.002682 0.001198 1Rh 1px -0.000049 -0.001042 0.003554 -0.001020 -0.001458 0.004093 1Rh 1py 0.012947 -0.002675 -0.003314 0.015606 -0.000471 -0.009562 1Rh 2pz -0.043028 -0.002208 -0.020211 -0.027894 0.009222 -0.004054 1Rh 2px 0.000353 0.003587 -0.012277 0.003462 0.005124 -0.014027 1Rh 2py -0.044657 0.009304 0.011625 -0.053643 0.001056 0.033079 1Rh 3pz 0.033933 -0.001277 0.012037 0.024741 -0.007319 0.001907 1Rh 3px -0.003477 -0.002448 0.010715 -0.001820 -0.006318 0.010393 1Rh 3py 0.038456 -0.009301 -0.013856 0.041982 0.009875 -0.030035 1Rh 4pz 0.079784 0.016349 0.054402 0.040383 -0.016365 0.012525 1Rh 4px 0.008592 -0.011988 0.020052 -0.010213 0.000112 0.027111 1Rh 4py 0.069911 -0.011601 -0.002237 0.101310 -0.041209 -0.045681 1Rh 5pz -0.031704 -0.031090 -0.061569 0.018338 -0.007796 -0.003348 1Rh 5px 0.004292 0.037800 -0.012666 0.010842 -0.021693 0.006105 1Rh 5py -0.001178 0.009648 -0.037568 -0.024015 0.054862 -0.017732 1Rh 6pz -0.403622 0.748270 0.470921 -0.964913 0.870960 -0.909840 1Rh 6px -0.699492 -1.300139 0.081904 -0.031047 0.500832 -0.557179 1Rh 6py -1.226410 0.243740 0.193570 -1.617484 0.681803 0.551062 1Rh 1dz2 0.007759 0.002503 -0.002492 -0.003099 -0.007400 -0.002338 1Rh 1dxz -0.011272 0.007027 0.003268 -0.005080 0.013258 -0.004950 1Rh 1dyz 0.003254 -0.003799 0.000338 -0.003338 -0.008439 -0.010212 1Rh 1dx2y2 -0.001439 -0.007046 -0.000287 -0.001126 -0.010967 -0.005143 1Rh 1dxy -0.016789 0.011518 -0.003677 -0.007429 0.040500 -0.004494 1Rh 2dz2 -0.000656 -0.000813 0.000624 0.000654 0.001528 0.000583 1Rh 2dxz 0.002984 -0.000749 -0.001347 0.000549 -0.001994 0.001333 1Rh 2dyz -0.000488 0.000190 0.000682 0.001470 0.000860 0.002141 1Rh 2dx2y2 -0.000586 0.000685 -0.000031 0.000441 0.001386 0.000227 1Rh 2dxy 0.001943 -0.001399 0.001038 0.000955 -0.007547 0.000946 1Rh 3dz2 -0.012319 -0.001391 0.002130 0.003184 0.008147 0.002039 1Rh 3dxz 0.009492 -0.010419 -0.000599 0.007717 -0.017698 0.004062 1Rh 3dyz -0.004239 0.006643 -0.003588 0.000192 0.012875 0.010747 1Rh 3dx2y2 0.005283 0.010563 0.000651 0.000338 0.015595 0.009099 1Rh 3dxy 0.024361 -0.016504 0.002685 0.010533 -0.047270 0.004673 1Rh 4dz2 -0.015749 -0.012335 0.013218 0.013727 0.027426 0.011717 1Rh 4dxz 0.052644 -0.016395 -0.023709 0.011269 -0.040416 0.024299 1Rh 4dyz -0.009673 0.005983 0.010923 0.025918 0.018225 0.042240 1Rh 4dx2y2 -0.008867 0.014566 0.000255 0.007904 0.029247 0.007559 1Rh 4dxy 0.043162 -0.032137 0.019823 0.019551 -0.145084 0.019883 1Rh 5dz2 -0.017460 -0.002566 -0.071725 -0.060397 -0.023662 -0.064112 1Rh 5dxz -0.158151 -0.038503 0.111382 0.013343 0.073156 -0.092875 1Rh 5dyz 0.015105 0.026194 -0.097394 -0.147785 0.067550 -0.160113 1Rh 5dx2y2 0.099228 0.084175 -0.005293 -0.039835 -0.028040 0.035600 1Rh 5dxy -0.032470 0.085510 -0.087324 -0.023631 0.290088 -0.082989 1Rh 1f0 0.007863 0.006530 -0.003238 0.006151 0.001513 0.003587 1Rh 1f+1 0.010260 0.003553 0.008809 -0.009136 -0.000210 -0.018392 1Rh 1f-1 0.001919 -0.006552 -0.002349 0.016653 0.006790 0.012593 1Rh 1f+2 -0.006234 -0.012675 -0.004653 0.006105 0.009947 0.010187 1Rh 1f-2 0.000689 -0.000284 0.000288 -0.011614 0.004210 -0.030831 1Rh 1f+3 -0.001380 -0.009908 0.003668 0.001720 0.007966 0.004902 1Rh 1f-3 -0.000522 0.000292 -0.000592 0.006503 -0.018824 0.014536 2C 1s -0.004870 -0.003661 -0.004423 -0.002874 -0.005787 -0.004309 2C 2s -0.010770 -0.010847 -0.012642 -0.008334 -0.016092 -0.013101 2C 3s 0.005891 0.063322 0.037290 0.043176 0.019856 0.037608 2C 4s 0.034646 -0.271597 -0.249332 -0.228869 -0.050111 -0.123591 2C 5s -5.108026 3.435970 3.484419 0.417335 5.864359 -0.891535 2C 1pz -0.058933 0.016484 -0.023548 -0.003836 0.013646 -0.004219 2C 1px 0.012668 0.044201 0.003446 -0.002210 -0.001358 -0.009332 2C 1py -0.010700 -0.012115 0.003389 -0.002347 -0.000106 0.008533 2C 2pz -0.318481 -0.040371 -0.102166 -0.096909 0.024301 0.038775 2C 2px 0.048750 0.144173 0.004165 0.031410 -0.018621 -0.143455 2C 2py -0.084943 -0.038594 -0.073587 0.018709 0.099948 -0.080845 2C 3pz -1.098942 0.502392 1.051378 -0.136448 1.137407 0.053790 2C 3px -0.757918 -0.181585 -0.023599 -0.164728 0.090733 -0.860974 2C 3py -0.884259 0.871586 0.233984 0.201593 1.308410 -0.557496 2C 1dz2 0.000743 0.002761 0.000076 -0.000823 0.001665 -0.002200 2C 1dxz -0.003051 -0.005125 0.002047 -0.000947 0.000438 0.000443 2C 1dyz -0.003019 0.000339 0.002766 -0.000710 0.001683 -0.000076 2C 1dx2y2 0.001197 -0.001814 0.002473 0.000627 -0.002496 0.003053 2C 1dxy -0.001770 -0.001638 -0.001513 0.001308 0.005188 -0.001994 2C 2dz2 -0.037452 -0.096416 0.046717 0.040935 -0.006558 0.013873 2C 2dxz 0.030293 0.093082 -0.102322 -0.017907 -0.013788 -0.041429 2C 2dyz -0.114039 0.047998 -0.070121 -0.007803 0.021653 -0.109627 2C 2dx2y2 0.059954 0.037371 -0.030005 0.032493 0.018426 -0.118593 2C 2dxy 0.014603 -0.003153 0.041074 -0.096063 -0.196948 0.068923 2C 1f0 -0.000158 -0.001931 -0.000818 0.002649 0.009110 -0.000425 2C 1f+1 -0.002673 0.003585 0.001414 0.000936 -0.002481 -0.000748 2C 1f-1 -0.005217 -0.002809 0.000011 -0.001614 0.003970 0.007483 2C 1f+2 0.000265 -0.000759 -0.004988 -0.001395 -0.008253 -0.005095 2C 1f-2 0.004171 0.003935 0.003976 0.002398 0.003817 0.001078 2C 1f+3 -0.002824 0.000086 -0.004778 0.002554 -0.003952 -0.007473 2C 1f-3 -0.002568 -0.000450 0.000897 0.000902 0.000959 -0.000521 3C 1s -0.001332 -0.001371 0.002382 0.003708 0.003143 0.002953 3C 2s -0.004020 -0.001793 0.007645 0.010744 0.008672 0.007261 3C 3s 0.022290 -0.036887 -0.024562 -0.040035 0.006850 -0.010270 3C 4s -0.059313 0.290958 0.112368 0.182435 -0.109266 -0.043357 3C 5s 2.240796 -2.719602 -0.651822 -0.514540 -1.359375 2.986790 3C 1pz 0.038145 -0.033216 -0.002060 -0.009228 -0.009205 0.001071 3C 1px 0.021624 -0.018575 -0.009682 -0.001989 -0.014851 0.012871 3C 1py 0.009914 0.002240 -0.005136 -0.012608 -0.008318 -0.014466 3C 2pz 0.161741 -0.090417 -0.036861 0.052497 -0.032279 -0.009698 3C 2px 0.076848 0.038540 0.044716 0.131398 0.039158 0.035433 3C 2py 0.029491 0.011942 -0.054879 0.003920 0.049710 -0.071839 3C 3pz 0.241215 -0.023779 -0.384136 0.042788 -0.187448 0.316876 3C 3px -0.132230 0.311578 0.281183 0.848489 0.353115 0.170111 3C 3py -0.598896 0.840639 0.092686 0.373070 0.569889 -0.876051 3C 1dz2 -0.000894 0.001424 0.000787 -0.002007 -0.001588 -0.000389 3C 1dxz -0.000859 0.000984 -0.000925 0.005618 0.003549 -0.000771 3C 1dyz -0.000101 -0.002595 0.000112 -0.000211 0.001511 -0.001720 3C 1dx2y2 -0.002579 -0.001000 -0.000309 -0.001177 0.001131 -0.001438 3C 1dxy 0.001055 0.005369 -0.000393 0.003436 0.002223 -0.002643 3C 2dz2 -0.149259 0.036190 0.009412 0.069652 0.100775 -0.014245 3C 2dxz 0.009764 -0.047494 0.004166 -0.186476 -0.080318 0.051152 3C 2dyz 0.091027 0.050405 -0.060576 -0.011687 -0.048999 -0.033687 3C 2dx2y2 -0.056638 0.113463 0.017038 -0.019210 -0.008215 0.001282 3C 2dxy -0.068769 -0.182735 0.002336 -0.148540 -0.077685 0.016005 3C 1f0 -0.004076 0.000851 -0.000083 -0.003791 -0.001035 0.000698 3C 1f+1 -0.003426 -0.001926 -0.000383 0.000928 0.001475 -0.000247 3C 1f-1 0.005820 0.003731 0.000083 0.001921 -0.002767 -0.001046 3C 1f+2 0.000816 0.000918 0.007905 0.002734 0.007144 0.003192 3C 1f-2 0.000295 -0.003552 0.000643 0.002580 0.004069 0.000103 3C 1f+3 0.000388 0.002552 0.002414 -0.006571 -0.004064 0.001714 3C 1f-3 0.002111 0.004642 0.001167 -0.004468 -0.001661 0.001717 4C 1s 0.006939 0.001610 0.001781 -0.005111 -0.003341 -0.007570 4C 2s 0.016322 0.005260 0.004351 -0.011698 -0.009916 -0.018440 4C 3s 0.058958 -0.145435 -0.009086 -0.019685 0.056117 0.004094 4C 4s -1.407881 1.048253 0.046852 0.641416 0.377807 0.780331 4C 5s 2.001276 -1.077029 -2.490518 -0.200946 -3.083304 0.287655 4C 1pz 0.093388 0.003129 -0.011934 -0.003557 0.042964 0.071631 4C 1px -0.046258 -0.080903 0.090376 0.114525 0.030162 -0.013401 4C 1py 0.003909 0.004559 0.024667 0.043368 0.014004 0.031617 4C 2pz -0.276016 0.095614 -0.192575 -0.142542 -0.041153 0.294876 4C 2px 0.115786 0.123152 0.414937 0.912590 0.139046 -0.083704 4C 2py -0.078038 0.091696 0.029499 0.290618 0.078996 0.139181 4C 3pz -4.035863 1.911511 0.681186 -0.799305 2.363496 -2.413228 4C 3px -0.486800 -0.108773 0.157364 0.478009 1.286528 0.857553 4C 3py -2.384492 0.628116 0.668348 -0.466445 1.850599 -0.950980 4C 1dz2 -0.003795 0.004027 0.001597 -0.005655 0.005606 -0.000776 4C 1dxz 0.005987 0.000855 0.003468 0.005625 0.011705 -0.003781 4C 1dyz -0.007779 0.005425 0.004286 0.003630 0.008380 0.004177 4C 1dx2y2 -0.007879 0.005975 -0.004971 0.007764 0.003440 0.003694 4C 1dxy -0.004232 0.001536 0.005411 0.006320 0.002220 0.011269 4C 2dz2 -0.073917 -0.109738 -0.084823 -0.162383 -0.115985 -0.037073 4C 2dxz 0.195294 0.074282 0.080056 0.162652 -0.095479 -0.198745 4C 2dyz 0.036026 -0.020562 -0.050719 -0.009394 -0.108716 -0.120430 4C 2dx2y2 -0.177309 0.184522 -0.030936 0.057406 0.050651 0.079843 4C 2dxy 0.052905 0.163856 0.051001 0.161022 -0.049023 -0.034832 4C 1f0 0.006260 0.000102 -0.000866 -0.002289 0.001711 -0.004952 4C 1f+1 0.010695 -0.015136 0.005600 -0.004876 0.002295 -0.008995 4C 1f-1 -0.003192 -0.007879 -0.003695 -0.011154 -0.002147 0.000318 4C 1f+2 -0.018286 0.004503 -0.006530 -0.008071 -0.001139 0.013610 4C 1f-2 0.001848 0.000663 0.003517 0.011429 -0.000047 -0.008297 4C 1f+3 -0.006819 -0.005519 -0.006517 -0.009634 0.007010 0.002870 4C 1f-3 0.003728 -0.018888 -0.003456 -0.020233 -0.000729 -0.002231 5C 1s 0.002384 0.003303 0.002800 0.003974 0.005172 0.008094 5C 2s 0.006284 0.007041 0.007334 0.009372 0.014400 0.018427 5C 3s -0.099110 0.072100 -0.052130 0.024117 -0.116774 0.041488 5C 4s 0.618580 -0.916510 0.168690 -0.625629 0.187132 -1.005762 5C 5s -0.406887 1.066265 1.088889 0.131819 1.334864 -2.187407 5C 1pz -0.007208 0.069528 -0.050869 0.015393 -0.027656 -0.045245 5C 1px -0.090850 -0.071785 0.074209 -0.109867 -0.041840 0.025660 5C 1py -0.022246 -0.004187 0.047156 0.020136 0.038911 0.056637 5C 2pz 0.091870 -0.030218 -0.145179 0.101106 0.078350 -0.348155 5C 2px 0.016092 -0.254064 0.454581 -0.626443 -0.049163 0.278894 5C 2py -0.097350 0.069796 0.024178 0.066910 0.014750 0.402258 5C 3pz 0.689874 -0.840890 0.611369 0.490258 0.208803 1.233297 5C 3px 0.752676 -1.685026 -0.350860 -0.607255 -0.272000 1.057084 5C 3py -1.359332 0.722485 -0.639422 -0.950482 0.379109 -1.936412 5C 1dz2 0.006510 0.006920 -0.001344 0.008238 -0.002851 0.004265 5C 1dxz 0.003883 -0.003535 -0.002254 -0.007584 -0.009887 0.010078 5C 1dyz -0.008715 0.002730 0.002411 0.003901 0.006231 0.003845 5C 1dx2y2 0.003769 -0.009535 0.006962 -0.007267 -0.000419 -0.008762 5C 1dxy -0.001262 0.006170 0.003746 -0.000479 0.001332 -0.005360 5C 2dz2 -0.048871 -0.030747 -0.110206 0.100159 0.016041 0.011093 5C 2dxz -0.005784 0.022105 0.077608 -0.060060 0.033141 0.093758 5C 2dyz -0.004493 0.125560 0.010676 -0.072729 -0.129329 0.071633 5C 2dx2y2 0.205624 -0.083515 0.030444 -0.151723 -0.009200 -0.018035 5C 2dxy -0.010319 -0.127131 -0.163965 0.020864 -0.054027 -0.137059 5C 1f0 0.001964 0.005047 0.005197 -0.006374 -0.006254 0.011112 5C 1f+1 -0.003528 0.005159 -0.009422 0.012752 -0.007063 0.000611 5C 1f-1 -0.002304 0.001675 0.006023 -0.002590 0.000776 0.002527 5C 1f+2 -0.004744 -0.007450 -0.003336 0.001220 0.005263 -0.004379 5C 1f-2 0.003477 -0.008116 -0.008616 0.001865 0.001845 -0.016702 5C 1f+3 -0.013177 0.001400 -0.005362 0.007194 -0.007404 0.007425 5C 1f-3 0.012757 -0.012040 0.006138 -0.008671 0.001961 -0.009367 6C 1s -0.001765 -0.003188 0.002982 0.004496 -0.005767 0.006975 6C 2s -0.004813 -0.006767 0.007878 0.010806 -0.015622 0.015384 6C 3s 0.091725 -0.075702 -0.058782 0.015823 0.106335 0.067476 6C 4s -0.599741 0.939938 0.183684 -0.637800 -0.069017 -1.056057 6C 5s 0.460500 -1.053095 1.212496 0.269814 -0.946079 -2.526447 6C 1pz -0.008958 0.068398 0.050737 -0.012655 -0.034844 0.040277 6C 1px -0.086839 -0.069991 -0.076039 0.114044 -0.029107 -0.028908 6C 1py -0.021917 -0.003505 -0.047586 -0.024819 0.044177 -0.049262 6C 2pz 0.087402 -0.037145 0.141323 -0.103814 0.019122 0.362788 6C 2px 0.021189 -0.245530 -0.456696 0.630143 0.032368 -0.280882 6C 2py -0.091137 0.075692 -0.022954 -0.072810 0.070211 -0.400759 6C 3pz 0.734224 -0.797817 -0.520726 -0.487780 0.355832 -1.262840 6C 3px 0.686869 -1.702129 0.424937 0.647978 -0.054207 -1.130920 6C 3py -1.364245 0.689223 0.497601 0.895501 0.168025 2.065258 6C 1dz2 -0.006749 -0.007066 -0.001479 0.008107 0.002838 0.004568 6C 1dxz -0.003710 0.003527 -0.002593 -0.008319 0.007461 0.011692 6C 1dyz 0.008601 -0.002951 0.002567 0.004606 -0.006385 0.002916 6C 1dx2y2 -0.003775 0.009552 0.007142 -0.007323 0.001269 -0.008795 6C 1dxy 0.000975 -0.006384 0.003925 -0.000158 -0.000691 -0.005603 6C 2dz2 0.049052 0.030976 -0.110308 0.100514 -0.012165 0.010819 6C 2dxz -0.001096 -0.029366 0.075656 -0.051923 -0.051156 0.092915 6C 2dyz 0.007755 -0.123771 0.004846 -0.082745 0.111786 0.096465 6C 2dx2y2 -0.201258 0.086573 0.031434 -0.155925 0.002095 -0.022934 6C 2dxy 0.018493 0.135187 -0.164434 0.011519 0.072706 -0.132473 6C 1f0 0.002157 0.005308 -0.005039 0.006670 -0.004033 -0.012268 6C 1f+1 -0.003519 0.005173 0.009692 -0.012201 -0.007680 -0.001892 6C 1f-1 -0.002243 0.001777 -0.006037 0.002518 0.001170 -0.002431 6C 1f+2 -0.004869 -0.007646 0.002975 -0.001434 0.004436 0.005451 6C 1f-2 0.002858 -0.008788 0.008273 -0.001665 -0.000719 0.017471 6C 1f+3 -0.012866 0.001652 0.005752 -0.006734 -0.006361 -0.009140 6C 1f-3 0.012516 -0.012353 -0.006523 0.008767 0.000930 0.010413 7C 1s -0.006467 -0.001460 0.001514 -0.005395 0.004058 -0.006962 7C 2s -0.015138 -0.004911 0.003759 -0.012517 0.011758 -0.016794 7C 3s -0.066691 0.145144 -0.007285 -0.017864 -0.059973 -0.005470 7C 4s 1.434100 -1.053514 0.052784 0.695394 -0.425180 0.745467 7C 5s -2.038437 0.964505 -2.598023 -0.445280 2.937117 0.764550 7C 1pz 0.095735 0.004197 0.013204 -0.000760 0.054720 -0.065728 7C 1px -0.048472 -0.082240 -0.092770 -0.116008 0.016380 0.017883 7C 1py 0.004957 0.004045 -0.023233 -0.044855 0.015104 -0.031322 7C 2pz -0.274856 0.105048 0.197852 0.142500 0.017995 -0.306015 7C 2px 0.107226 0.113932 -0.418481 -0.922294 0.035116 0.097084 7C 2py -0.082554 0.093188 -0.031784 -0.298688 0.071287 -0.125736 7C 3pz -4.154055 1.853778 -0.711782 0.627849 1.983755 2.696041 7C 3px -0.482470 -0.125441 -0.136911 -0.617685 1.375811 -0.703232 7C 3py -2.470366 0.612340 -0.749880 0.316168 1.699481 1.209123 7C 1dz2 0.003596 -0.003849 0.001676 -0.005164 -0.005997 -0.001655 7C 1dxz -0.006187 -0.000515 0.003611 0.006620 -0.010639 -0.005626 7C 1dyz 0.007895 -0.005146 0.004119 0.004341 -0.008643 0.003348 7C 1dx2y2 0.007887 -0.006155 -0.004590 0.008175 -0.003268 0.002752 7C 1dxy 0.004413 -0.001550 0.005544 0.006771 -0.003258 0.011062 7C 2dz2 0.073039 0.105903 -0.083268 -0.172966 0.106213 -0.021498 7C 2dxz -0.195320 -0.073004 0.078587 0.152518 0.141704 -0.184838 7C 2dyz -0.034422 0.016455 -0.044137 -0.018605 0.126414 -0.113889 7C 2dx2y2 0.180288 -0.183969 -0.039598 0.065636 -0.058802 0.084973 7C 2dxy -0.048869 -0.163551 0.048191 0.156223 0.072424 -0.024721 7C 1f0 0.006450 0.000051 0.000771 0.002219 0.001223 0.005324 7C 1f+1 0.010970 -0.015275 -0.006037 0.005001 0.001273 0.009639 7C 1f-1 -0.003083 -0.007684 0.003690 0.011431 -0.000989 -0.000573 7C 1f+2 -0.018364 0.004767 0.006651 0.007769 0.001800 -0.014119 7C 1f-2 0.001763 0.000528 -0.003422 -0.011235 -0.002559 0.008036 7C 1f+3 -0.006788 -0.005407 0.006133 0.008957 0.008336 -0.001391 7C 1f-3 0.004168 -0.018887 0.003477 0.020487 0.000989 0.002248 8C 1s 0.000826 0.001229 0.002436 0.004142 -0.003297 0.002430 8C 2s 0.002756 0.001345 0.007724 0.011959 -0.008897 0.005900 8C 3s -0.021738 0.038317 -0.021642 -0.041082 -0.008020 -0.013874 8C 4s 0.076109 -0.292456 0.096842 0.178348 0.129289 -0.019003 8C 5s -2.270884 2.704150 -0.865537 -0.716552 0.836279 3.349665 8C 1pz 0.039487 -0.033541 0.002955 0.010427 -0.007920 -0.002225 8C 1px 0.022388 -0.018728 0.009477 0.003095 -0.012098 -0.015077 8C 1py 0.008912 0.002490 0.005578 0.012979 -0.009431 0.012099 8C 2pz 0.163741 -0.091246 0.042062 -0.050513 -0.035869 0.007745 8C 2px 0.083716 0.040622 -0.044322 -0.133631 0.031142 -0.031672 8C 2py 0.024716 0.011271 0.047002 -0.007330 0.035423 0.084496 8C 3pz 0.197670 -0.042503 0.396834 -0.021923 -0.141171 -0.343063 8C 3px -0.111477 0.325145 -0.270309 -0.862718 0.289544 -0.136117 8C 3py -0.592282 0.832939 -0.169615 -0.438688 0.392324 1.019129 8C 1dz2 0.000832 -0.001461 0.000736 -0.002035 0.001403 -0.000058 8C 1dxz 0.000905 -0.000979 -0.000959 0.005848 -0.002860 -0.001234 8C 1dyz -0.000011 0.002538 0.000235 -0.000068 -0.001268 -0.002021 8C 1dx2y2 0.002609 0.001111 -0.000081 -0.001136 -0.000971 -0.001829 8C 1dxy -0.001033 -0.005311 -0.000239 0.003598 -0.001446 -0.003067 8C 2dz2 0.151051 -0.032092 0.011502 0.074074 -0.088975 -0.029462 8C 2dxz -0.008083 0.047584 -0.000149 -0.189461 0.053102 0.067154 8C 2dyz -0.085950 -0.046722 -0.059155 -0.016186 0.052668 -0.030827 8C 2dx2y2 0.057198 -0.116684 0.016173 -0.017703 0.005303 0.007368 8C 2dxy 0.069866 0.183155 0.002285 -0.156312 0.061012 0.028183 8C 1f0 -0.004337 0.000807 0.000018 0.003916 -0.000629 -0.000910 8C 1f+1 -0.003365 -0.002040 0.000214 -0.000954 0.001377 0.000474 8C 1f-1 0.005730 0.003643 -0.000006 -0.001693 -0.003100 0.000757 8C 1f+2 0.001593 0.001299 -0.008194 -0.003581 0.007201 -0.001865 8C 1f-2 0.000476 -0.003489 -0.000906 -0.003033 0.003931 0.000663 8C 1f+3 0.000376 0.002592 -0.002213 0.006680 -0.003054 -0.002572 8C 1f-3 0.002073 0.004808 -0.001145 0.004381 -0.000908 -0.002028 9C 1s 0.004644 0.003570 -0.004268 -0.003414 0.006073 -0.003655 9C 2s 0.010240 0.010517 -0.012274 -0.009874 0.017055 -0.011275 9C 3s -0.005691 -0.061972 0.037888 0.046489 -0.021000 0.035066 9C 4s -0.034216 0.262958 -0.265112 -0.240756 0.042192 -0.104618 9C 5s 5.282079 -3.283565 3.619454 0.911551 -5.527615 -1.701989 9C 1pz -0.057843 0.016092 0.023668 0.002204 0.014196 0.004880 9C 1px 0.013282 0.044115 -0.003101 0.001796 -0.002446 0.009617 9C 1py -0.009778 -0.011573 -0.003389 0.002680 0.001131 -0.008852 9C 2pz -0.314167 -0.037888 0.103695 0.095353 0.040732 -0.043597 9C 2px 0.049762 0.142785 -0.007344 -0.026693 -0.048115 0.139503 9C 2py -0.081127 -0.038517 0.075253 -0.023305 0.086163 0.097995 9C 3pz -1.135297 0.473766 -1.083397 0.035843 1.119663 0.081212 9C 3px -0.782216 -0.189175 -0.022171 0.191313 -0.063374 0.874328 9C 3py -0.931282 0.827798 -0.235264 -0.306266 1.188991 0.759684 9C 1dz2 -0.000686 -0.002672 0.000108 -0.000706 -0.001380 -0.002461 9C 1dxz 0.003114 0.005099 0.002133 -0.000991 -0.000475 0.000405 9C 1dyz 0.003111 -0.000276 0.002756 -0.000585 -0.001670 -0.000196 9C 1dx2y2 -0.001220 0.001827 0.002424 0.000461 0.002079 0.003546 9C 1dxy 0.001808 0.001739 -0.001440 0.001748 -0.004774 -0.002772 9C 2dz2 0.037486 0.097735 0.047632 0.038423 0.010630 0.015073 9C 2dxz -0.032236 -0.092187 -0.109392 -0.017845 0.014047 -0.039032 9C 2dyz 0.113015 -0.048812 -0.065236 -0.007376 -0.005412 -0.117343 9C 2dx2y2 -0.058440 -0.036263 -0.030493 0.031847 0.001848 -0.126960 9C 2dxy -0.015864 -0.002501 0.038117 -0.112423 0.178975 0.099190 9C 1f0 -0.000180 -0.002136 0.000831 -0.003337 0.008681 0.001863 9C 1f+1 -0.002662 0.003571 -0.001355 -0.000806 -0.002627 0.000208 9C 1f-1 -0.005199 -0.002851 0.000084 0.001278 0.005243 -0.007007 9C 1f+2 0.000251 -0.000515 0.005218 0.002083 -0.009009 0.004168 9C 1f-2 0.003894 0.003755 -0.003457 -0.002641 0.003634 -0.000688 9C 1f+3 -0.002577 0.000228 0.004728 -0.002103 -0.005202 0.007092 9C 1f-3 -0.002655 -0.000527 -0.001039 -0.001012 0.000499 0.000976 10H 1s -0.019413 -0.005189 -0.004046 0.001381 -0.011315 0.002310 10H 2s -0.236247 -0.182279 -0.293224 -0.164042 -0.374662 0.015184 10H 3s 0.741859 -0.055151 -0.040909 -0.130702 -0.320365 0.388486 10H 1pz -0.001900 -0.003148 -0.014794 -0.018139 -0.019806 0.003602 10H 1px 0.003864 -0.003417 -0.000197 0.000311 0.009622 -0.010562 10H 1py 0.004147 0.004155 -0.014904 -0.003944 -0.001924 -0.011928 11H 1s -0.018270 -0.007852 -0.017461 -0.014424 -0.019678 -0.006968 11H 2s -0.261792 -0.145860 -0.259401 -0.232701 -0.486090 -0.221396 11H 3s 0.085380 -0.714418 -0.069528 -0.300552 -0.658760 -0.102215 11H 1pz -0.000505 0.000485 0.001506 0.000115 -0.017317 0.000245 11H 1px -0.005810 -0.006769 -0.000840 0.001141 -0.004650 -0.006600 11H 1py 0.009928 0.002082 -0.007956 0.010822 0.019776 -0.005282 12H 1s -0.015603 -0.004748 -0.026088 -0.011578 -0.005524 -0.012049 12H 2s -0.106570 -0.128428 -0.412122 -0.022170 -0.120797 -0.452566 12H 3s 0.062671 -0.057791 -0.516752 0.040517 -0.027094 -0.508563 12H 1pz 0.008594 -0.010049 0.013867 0.002146 -0.020018 0.010820 12H 1px -0.003904 0.000466 -0.006015 0.006825 0.001797 -0.018411 12H 1py 0.005424 -0.000916 -0.009322 0.017523 0.008250 -0.023409 13H 1s -0.007215 -0.003965 0.009021 -0.007136 -0.003493 0.005529 13H 2s 0.041174 -0.020052 0.112328 -0.050236 0.029880 0.052949 13H 3s 0.018330 0.076440 -0.234143 -0.272904 -0.182294 -0.107932 13H 1pz 0.015391 0.005889 -0.003623 0.007063 0.003308 -0.003882 13H 1px -0.002920 0.011367 -0.001167 0.026390 0.011192 -0.007458 13H 1py -0.005165 -0.004250 0.002329 -0.004501 -0.003454 0.003546 14H 1s 0.002549 0.002020 -0.002940 0.023074 0.012548 0.001302 14H 2s 0.058055 0.001920 0.102991 0.507719 0.329927 0.014911 14H 3s -0.456983 0.730858 0.166595 0.646999 0.415054 -0.258149 14H 1pz 0.007054 -0.007823 0.000393 0.005743 0.008706 -0.001820 14H 1px 0.001333 0.001582 0.008823 0.030105 0.022788 -0.003373 14H 1py 0.001090 0.008944 -0.010360 0.022153 0.012133 -0.003580 15H 1s 0.002385 -0.005223 0.005920 0.009788 0.003671 0.008206 15H 2s -0.202627 -0.012233 0.255104 0.112240 0.147964 0.169484 15H 3s -0.066239 0.051491 0.282346 -0.021732 -0.121745 -0.058224 15H 1pz -0.000610 0.010136 -0.006103 0.007478 0.004835 -0.008273 15H 1px -0.007802 -0.005238 0.001526 0.010966 0.016117 -0.002588 15H 1py 0.017876 -0.001047 -0.013397 0.012058 -0.005369 -0.003952 16H 1s -0.004664 0.005938 -0.007495 0.000859 -0.008068 -0.015198 16H 2s -0.034972 -0.171682 0.204216 -0.091464 0.013268 -0.204771 16H 3s 0.289253 -0.762259 0.699361 -0.247662 0.338134 -0.277278 16H 1pz -0.011445 -0.016121 0.030132 -0.007601 0.003234 -0.011181 16H 1px 0.010351 -0.008856 -0.005853 -0.008362 -0.003833 -0.003647 16H 1py 0.006378 -0.006509 -0.000181 -0.000493 0.006049 -0.006667 17H 1s 0.001471 0.015111 -0.004982 0.011136 -0.008147 0.001988 17H 2s 0.212857 0.020645 -0.206196 0.053761 0.099219 0.121169 17H 3s 0.609575 -0.270602 -0.403515 -0.019368 0.441444 0.241505 17H 1pz -0.017500 -0.001155 0.018606 -0.000453 0.001475 -0.011082 17H 1px -0.008660 0.000655 0.014376 0.001586 -0.009755 -0.001745 17H 1py 0.010823 -0.002447 -0.002801 0.003864 0.012675 0.002194 18H 1s -0.003876 -0.015717 -0.003666 0.009767 0.008647 0.001635 18H 2s -0.194719 -0.017187 -0.217171 0.063777 -0.113303 0.109534 18H 3s -0.522707 0.277124 -0.426356 0.030950 -0.463591 0.190605 18H 1pz -0.016785 -0.001108 -0.018556 0.000223 -0.000279 0.010272 18H 1px -0.006519 0.001643 -0.016408 -0.000255 -0.010386 0.001993 18H 1py 0.009026 -0.002678 0.003458 -0.005342 0.012434 -0.001093 19H 1s 0.003243 -0.006157 -0.007135 -0.000067 0.010616 -0.014848 19H 2s 0.048473 0.171074 0.199516 -0.087118 0.011395 -0.199258 19H 3s -0.248769 0.772257 0.687161 -0.216419 -0.309524 -0.298942 19H 1pz -0.012726 -0.016122 -0.030072 0.007370 0.001935 0.010912 19H 1px 0.011352 -0.009002 0.005519 0.009235 -0.003742 0.003977 19H 1py 0.004756 -0.006479 0.000653 -0.000772 0.005147 0.006538 20H 1s -0.003533 0.004953 0.005814 0.010465 -0.004305 0.007487 20H 2s 0.179359 0.001454 0.256447 0.132839 -0.164612 0.151381 20H 3s 0.065871 -0.066164 0.264784 -0.024150 0.126727 -0.022403 20H 1pz -0.001359 0.009620 0.005620 -0.007970 0.002840 0.009869 20H 1px -0.007614 -0.005323 -0.002004 -0.011820 0.014391 0.004892 20H 1py 0.017060 -0.001455 0.013756 -0.011410 -0.006859 0.003622 21H 1s -0.002994 -0.001889 -0.002699 0.024339 -0.010745 -0.000895 21H 2s -0.078618 -0.006074 0.112523 0.538248 -0.282261 -0.046027 21H 3s 0.480157 -0.728325 0.188586 0.682155 -0.303338 -0.338144 21H 1pz 0.007523 -0.007589 -0.001077 -0.006720 0.007910 0.004188 21H 1px 0.002464 0.001897 -0.009458 -0.031533 0.018712 0.007295 21H 1py 0.000477 0.008491 0.010098 -0.022904 0.009582 0.005491 22H 1s 0.006319 0.004042 0.009329 -0.007189 0.001886 0.005145 22H 2s -0.051429 0.016830 0.113643 -0.035653 -0.047197 0.036608 22H 3s 0.023811 -0.060583 -0.225481 -0.275649 0.168652 -0.093921 22H 1pz 0.015315 0.006126 0.003406 -0.007986 0.002237 0.005054 22H 1px -0.002991 0.011388 0.000949 -0.026722 0.007235 0.008861 22H 1py -0.005358 -0.004545 -0.002452 0.005056 -0.002846 -0.003651 23H 1s 0.014489 0.004377 -0.026214 -0.012117 0.005776 -0.011370 23H 2s 0.092692 0.123993 -0.408357 -0.040921 0.183959 -0.450085 23H 3s -0.051295 0.061845 -0.525780 0.026111 0.098540 -0.519147 23H 1pz 0.008642 -0.009784 -0.013623 -0.000359 -0.018653 -0.014585 23H 1px -0.003990 0.000187 0.005377 -0.006288 -0.002164 0.018206 23H 1py 0.005659 -0.001054 0.008881 -0.017803 0.002871 0.026202 24H 1s 0.017453 0.007568 -0.017432 -0.016292 0.019085 -0.003754 24H 2s 0.249383 0.134613 -0.249882 -0.276595 0.496058 -0.147295 24H 3s -0.085427 0.691330 -0.061056 -0.369139 0.650881 0.004829 24H 1pz -0.000374 0.000949 -0.001854 0.001031 -0.017256 -0.002938 24H 1px -0.005855 -0.006522 -0.000670 -0.000306 -0.006828 0.006142 24H 1py 0.009833 0.001812 0.007987 -0.012647 0.018126 0.009283 25H 1s 0.018701 0.005211 -0.004145 0.000552 0.010426 0.004223 25H 2s 0.222941 0.170654 -0.303066 -0.192022 0.341602 0.071118 25H 3s -0.756128 0.049539 -0.077501 -0.141001 0.226695 0.445146 25H 1pz -0.001598 -0.002091 0.014981 0.019669 -0.017398 -0.006306 25H 1px 0.003508 -0.003765 -0.000805 -0.000443 0.007170 0.011888 25H 1py 0.004249 0.004249 0.015493 0.004335 -0.003049 0.012023 26O 1s 0.001830 -0.006602 -0.000715 -0.003635 -0.003016 -0.007905 26O 2s 0.003792 -0.014634 -0.001128 -0.009733 -0.007148 -0.018855 26O 3s 0.005898 0.006447 -0.005729 0.041645 0.007070 0.023617 26O 4s -0.151230 0.221927 0.079573 -0.033597 0.093369 0.154090 26O 5s 0.978444 -1.328232 -0.450870 -0.770463 -0.603257 -0.181960 26O 1pz -0.063957 -0.017706 0.010842 0.027471 -0.060219 0.005941 26O 1px 0.012695 -0.056142 0.047157 -0.007625 -0.029312 0.000162 26O 1py 0.002777 -0.010931 -0.026669 0.041405 0.080644 -0.038624 26O 2pz -0.138703 0.042153 0.038405 0.017116 -0.171149 -0.057094 26O 2px 0.036454 0.036544 0.117964 0.089057 -0.074652 0.049775 26O 2py 0.013614 0.073276 -0.071476 0.126919 0.166907 -0.149679 26O 3pz 0.381887 -0.458603 -0.076021 0.499362 0.736887 0.914762 26O 3px -0.639441 0.614450 0.126822 1.180424 0.655400 -0.029775 26O 3py -0.298335 0.020418 0.273262 0.511910 -0.055121 0.879888 26O 1dz2 0.003411 -0.000165 -0.003308 -0.007990 -0.003497 -0.002988 26O 1dxz 0.001693 -0.000618 0.000832 0.001278 0.004298 0.006109 26O 1dyz 0.002159 0.000359 0.000825 -0.000647 0.000289 -0.000328 26O 1dx2y2 -0.002737 0.001900 0.002355 0.009868 0.003766 0.000430 26O 1dxy -0.004778 0.002988 0.003734 0.008527 0.002099 0.003896 26O 2dz2 -0.002367 0.032067 0.020579 0.010080 -0.027792 0.007769 26O 2dxz -0.011662 -0.025189 -0.002413 -0.007399 -0.002986 0.014789 26O 2dyz 0.023713 0.019722 -0.017232 0.005689 -0.014262 -0.022310 26O 2dx2y2 0.014746 -0.021151 0.007473 -0.039739 -0.012380 0.018727 26O 2dxy 0.008853 -0.027825 -0.005960 -0.032422 -0.012542 0.009580 26O 1f0 -0.000942 -0.001449 0.000158 -0.001017 -0.001457 -0.001283 26O 1f+1 -0.000260 -0.002649 -0.000167 -0.001269 0.001698 0.000973 26O 1f-1 0.000487 -0.000544 0.000143 -0.000296 0.000071 0.000976 26O 1f+2 0.001787 0.000912 0.000226 -0.000230 0.000420 0.000367 26O 1f-2 0.000301 0.000730 0.000397 0.001011 0.001474 0.002985 26O 1f+3 0.000036 0.000042 -0.000014 -0.001059 0.000111 0.001367 26O 1f-3 -0.000244 -0.003207 -0.000240 -0.002690 0.000699 -0.000294 27O 1s -0.006119 -0.003423 0.006062 0.002396 0.000690 0.001152 27O 2s -0.014650 -0.007144 0.013837 0.005942 0.000884 0.002974 27O 3s 0.023053 -0.009360 -0.001131 -0.019148 0.013565 -0.004781 27O 4s 0.108169 0.080101 -0.145055 -0.032072 -0.081123 -0.042114 27O 5s -0.907183 0.759088 -0.514291 0.824015 0.060273 -0.085212 27O 1pz -0.019508 -0.008188 0.029310 0.037742 0.104780 -0.044215 27O 1px -0.038630 0.012106 -0.033747 0.002961 0.007662 0.045826 27O 1py -0.016781 0.008079 -0.049300 0.055665 0.060801 0.003406 27O 2pz -0.027056 0.022102 0.072188 0.161526 0.256669 -0.078451 27O 2px 0.022413 0.017916 0.007401 -0.061661 0.052825 0.071478 27O 2py -0.076859 -0.047927 -0.149099 0.128559 0.146479 -0.022610 27O 3pz -0.097882 -0.086898 -0.361686 -0.569806 -0.820982 0.024260 27O 3px 0.475699 -0.795008 0.674187 -0.970215 -0.108655 -0.079975 27O 3py 0.200987 0.705946 0.531117 0.257294 -0.348976 0.219366 27O 1dz2 0.000670 0.002741 -0.004353 0.005460 0.002259 0.001831 27O 1dxz -0.001142 0.003041 -0.003171 0.001234 -0.004099 0.000408 27O 1dyz -0.000440 -0.002437 -0.000839 -0.001626 -0.000636 -0.000367 27O 1dx2y2 -0.000347 -0.006526 0.005401 -0.009184 -0.002918 -0.000843 27O 1dxy -0.000220 0.004862 0.001321 0.004342 0.000424 0.002672 27O 2dz2 0.023668 -0.011960 0.018074 0.022095 0.024945 -0.006438 27O 2dxz -0.010994 0.000319 0.007530 0.007834 0.007401 -0.007542 27O 2dyz -0.013865 -0.030327 0.003824 -0.024633 -0.017042 0.001759 27O 2dx2y2 -0.025445 0.005908 -0.029758 0.044053 -0.004826 -0.013762 27O 2dxy 0.011353 -0.012729 0.003302 -0.010536 0.004220 0.016526 27O 1f0 0.000065 -0.001176 0.001672 0.000200 0.001102 0.000323 27O 1f+1 -0.002668 0.000706 -0.000685 0.000851 -0.001212 -0.000225 27O 1f-1 0.001597 -0.000549 -0.000390 -0.001068 -0.000176 -0.000038 27O 1f+2 0.000030 0.001623 -0.000427 0.000493 -0.001546 0.000181 27O 1f-2 0.001195 0.000488 0.000210 0.000740 0.000658 0.001045 27O 1f+3 -0.000876 0.000229 -0.002608 0.000716 -0.002202 -0.001386 27O 1f-3 0.002090 -0.000695 -0.000886 -0.001579 0.000691 -0.000298 28O 1s 0.004211 -0.001055 -0.005260 -0.001949 -0.002463 -0.005234 28O 2s 0.009925 -0.003154 -0.012603 -0.003882 -0.005571 -0.013302 28O 3s -0.013876 0.016342 0.013169 -0.016163 0.001661 0.039428 28O 4s -0.160695 -0.003404 0.043371 0.117294 0.054110 -0.055237 28O 5s 1.895949 -0.453710 0.826120 0.585407 0.043718 0.463361 28O 1pz 0.009559 0.032552 -0.019974 -0.024549 0.003646 -0.017695 28O 1px -0.110529 -0.012039 -0.041712 0.024979 0.014661 0.023246 28O 1py -0.019662 -0.022027 0.013233 -0.021992 -0.004848 0.049567 28O 2pz -0.128361 0.015759 -0.118947 -0.082862 0.044549 -0.010725 28O 2px -0.139191 -0.028608 -0.036446 0.096620 0.067084 -0.049290 28O 2py -0.082610 -0.130279 0.036806 -0.078732 -0.016658 0.134523 28O 3pz -0.078675 0.562643 0.086109 -0.431365 -0.149807 0.612117 28O 3px 1.495708 -0.221269 0.553366 0.539755 -0.322869 -0.073731 28O 3py 0.328246 0.687877 -0.060888 0.141289 -0.093040 -0.118180 28O 1dz2 0.003744 0.000938 0.000737 0.001184 0.000487 0.000372 28O 1dxz 0.005028 -0.002802 0.005145 0.004835 -0.002203 -0.008193 28O 1dyz 0.000272 0.001082 -0.001541 0.000253 0.000840 -0.000159 28O 1dx2y2 -0.007097 0.000752 -0.003961 -0.004571 0.000094 0.004051 28O 1dxy -0.000148 -0.003698 0.000567 -0.000112 0.000234 -0.001790 28O 2dz2 0.005193 0.002088 -0.009070 0.019372 0.020871 -0.009953 28O 2dxz -0.058716 0.010720 -0.021874 -0.028366 0.013140 -0.002221 28O 2dyz 0.010720 -0.026603 0.020288 0.002749 -0.016166 0.012097 28O 2dx2y2 0.030641 0.011315 -0.005062 0.028090 0.018375 -0.026354 28O 2dxy -0.002322 -0.011124 0.011527 -0.005027 -0.006486 -0.001981 28O 1f0 0.001845 -0.000950 0.000987 0.001469 0.001119 0.000972 28O 1f+1 0.000833 -0.000584 -0.000971 0.000545 -0.000722 -0.000312 28O 1f-1 0.000253 0.000502 0.000161 0.000681 -0.001251 0.000103 28O 1f+2 -0.002441 0.000749 -0.000919 -0.002138 -0.001477 -0.000740 28O 1f-2 0.001307 -0.001060 -0.000502 0.000203 -0.000563 -0.001092 28O 1f+3 -0.001331 0.000413 -0.000488 -0.001689 -0.002155 -0.000068 28O 1f-3 0.000311 0.000183 -0.000519 0.000136 0.000862 0.000275 29O 1s -0.002165 0.010850 -0.000729 0.003027 -0.004168 -0.003160 29O 2s -0.004759 0.023529 -0.001793 0.006473 -0.009084 -0.006449 29O 3s -0.001239 0.012705 0.002928 0.004320 -0.004204 -0.010413 29O 4s 0.103960 -0.470071 0.020441 -0.130424 0.195483 0.147552 29O 5s -0.376720 1.109771 -0.109316 0.300782 -0.564660 -0.216981 29O 1pz 0.034047 0.061804 -0.140234 0.016137 -0.012098 0.049087 29O 1px 0.072883 -0.002910 -0.026829 -0.012337 0.045214 0.029625 29O 1py -0.034321 0.036292 0.000257 -0.027484 -0.040368 0.027575 29O 2pz 0.042227 0.149792 -0.294558 0.053601 -0.025165 0.123131 29O 2px 0.178572 -0.047046 -0.048319 -0.024688 0.120666 0.056672 29O 2py -0.086961 0.056314 -0.009933 -0.028200 -0.074835 0.042669 29O 3pz -0.176896 -0.619695 1.154634 -0.323020 -0.002651 -0.659043 29O 3px -0.734131 0.160542 0.234507 0.040805 -0.452555 -0.191766 29O 3py 0.419972 -0.302522 0.031678 -0.068579 0.259138 -0.063909 29O 1dz2 -0.001060 -0.002561 0.004407 -0.000916 0.000690 -0.002922 29O 1dxz 0.003297 0.001105 -0.003479 0.000350 0.000704 0.001409 29O 1dyz -0.002910 -0.003677 0.007290 -0.001843 -0.000339 -0.005256 29O 1dx2y2 -0.001042 0.000677 -0.001474 0.000211 -0.000512 0.001172 29O 1dxy -0.003615 -0.000107 0.002727 -0.001980 -0.002755 -0.000971 29O 2dz2 0.011239 -0.005416 -0.018445 0.005339 0.007918 0.008088 29O 2dxz -0.007627 -0.011218 0.018410 -0.004302 0.002448 -0.007665 29O 2dyz 0.003528 0.002726 -0.012278 0.011157 0.000088 0.010756 29O 2dx2y2 0.005254 0.011031 0.003173 0.001389 -0.008010 -0.004725 29O 2dxy 0.007388 0.014158 0.002974 -0.003873 0.012222 0.008099 29O 1f0 0.000295 -0.001000 -0.000070 -0.000286 0.000578 0.000292 29O 1f+1 -0.000459 0.000769 0.000379 0.000076 -0.000337 -0.000033 29O 1f-1 -0.000021 -0.000494 0.001033 -0.000736 0.000636 0.000196 29O 1f+2 0.000774 0.000747 -0.000903 0.000121 -0.000381 0.000010 29O 1f-2 0.000457 0.000029 -0.000269 -0.000350 0.000706 -0.000099 29O 1f+3 0.000123 0.000580 0.000130 0.000549 -0.000253 -0.000318 29O 1f-3 -0.000536 0.001241 0.000220 0.000439 0.000086 0.000221 30O 1s -0.000258 0.006198 0.001082 0.005091 0.002042 0.003239 30O 2s -0.000699 0.013359 0.002778 0.012073 0.004882 0.009308 30O 3s 0.005850 0.004768 -0.014158 -0.011623 -0.004749 -0.046166 30O 4s -0.000564 -0.237823 0.065127 -0.071961 -0.019560 0.078170 30O 5s -0.413081 0.658472 -0.242335 -0.587872 -0.415638 0.303731 30O 1pz -0.007019 -0.038982 -0.020416 -0.033212 0.011064 0.005755 30O 1px -0.012535 -0.049561 0.038153 -0.025435 0.014765 -0.059668 30O 1py -0.020711 -0.047585 0.017076 -0.060427 0.009801 0.050462 30O 2pz -0.010344 -0.203414 -0.051339 -0.118002 0.028276 -0.004682 30O 2px -0.047131 -0.087463 0.085166 -0.055690 0.012844 -0.021923 30O 2py -0.031064 -0.012301 0.058787 -0.177601 -0.012734 0.126588 30O 3pz 0.312004 0.714581 -0.137499 0.511050 -0.144449 -0.747512 30O 3px -0.111852 0.676069 0.036728 -0.295690 -0.246108 0.596782 30O 3py -0.293722 -0.238717 0.149524 0.350307 -0.111538 0.642472 30O 1dz2 0.000597 0.003133 0.001821 -0.001685 -0.000600 0.000826 30O 1dxz -0.001376 -0.002478 0.003485 -0.001758 0.001945 0.007713 30O 1dyz -0.001274 0.001130 0.001327 -0.000344 0.001142 0.004252 30O 1dx2y2 0.000172 -0.000819 -0.001007 0.001991 0.002747 -0.004345 30O 1dxy 0.003495 0.000033 -0.004538 0.001171 0.000523 -0.007354 30O 2dz2 0.000771 -0.004666 0.002371 -0.021756 -0.020681 -0.004495 30O 2dxz 0.011951 -0.033444 -0.011765 -0.012157 -0.006506 -0.013984 30O 2dyz 0.009522 0.017929 0.002842 0.032588 0.005995 -0.014336 30O 2dx2y2 0.006303 -0.006731 -0.001669 -0.021587 -0.020171 0.027986 30O 2dxy 0.009752 0.025956 0.007178 -0.013776 -0.025579 0.020214 30O 1f0 -0.001345 0.000538 -0.000148 0.000141 -0.001671 0.001419 30O 1f+1 -0.000256 0.000365 -0.000424 0.000324 0.000381 -0.000108 30O 1f-1 0.001149 -0.001073 0.000149 0.000673 0.000060 0.000676 30O 1f+2 0.000152 -0.000594 0.000527 0.000762 0.000001 0.000140 30O 1f-2 0.000759 -0.001001 0.000495 0.000646 0.000392 -0.002108 30O 1f+3 0.000260 0.001362 0.000494 0.001036 0.001118 -0.000096 30O 1f-3 -0.000821 -0.001157 0.000148 0.001656 0.002281 -0.000398 31O 1s 0.000105 -0.006496 0.001020 0.005352 -0.002095 0.003161 31O 2s 0.000355 -0.014059 0.002642 0.012701 -0.005241 0.009071 31O 3s -0.005380 -0.003589 -0.014069 -0.012530 0.010457 -0.045483 31O 4s 0.002664 0.240871 0.068097 -0.074699 0.003621 0.072135 31O 5s 0.401433 -0.670504 -0.260154 -0.604784 0.309011 0.415374 31O 1pz -0.005367 -0.038822 0.022601 0.031190 0.016742 -0.008569 31O 1px -0.011793 -0.049274 -0.037468 0.025083 0.007923 0.061003 31O 1py -0.019887 -0.047556 -0.018150 0.059317 0.022940 -0.047960 31O 2pz -0.008974 -0.204563 0.054090 0.114786 0.042862 0.003676 31O 2px -0.043641 -0.083339 -0.079760 0.054845 0.014495 0.016888 31O 2py -0.025767 -0.009560 -0.059435 0.176250 0.023229 -0.129957 31O 3pz 0.298948 0.698837 0.131420 -0.488695 -0.309937 0.741585 31O 3px -0.102904 0.678807 -0.053081 0.298279 -0.133375 -0.623753 31O 3py -0.299922 -0.226162 -0.144392 -0.348055 -0.052140 -0.658438 31O 1dz2 -0.000517 -0.003114 0.001803 -0.001685 0.000432 0.000844 31O 1dxz 0.001227 0.002306 0.003520 -0.001500 -0.003176 0.007396 31O 1dyz 0.001141 -0.001222 0.001231 -0.000133 -0.001786 0.004197 31O 1dx2y2 -0.000169 0.000827 -0.001187 0.002205 -0.001920 -0.004567 31O 1dxy -0.003396 0.000171 -0.004526 0.001072 0.000572 -0.007405 31O 2dz2 -0.000624 0.004548 0.001929 -0.023299 0.018656 -0.001131 31O 2dxz -0.011498 0.033986 -0.011554 -0.012898 0.007016 -0.013833 31O 2dyz -0.008741 -0.017019 0.002753 0.032390 -0.000574 -0.015725 31O 2dx2y2 -0.006516 0.006377 -0.001119 -0.023001 0.013500 0.030083 31O 2dxy -0.010613 -0.026836 0.006131 -0.015229 0.020754 0.025355 31O 1f0 -0.001329 0.000559 0.000232 0.000015 -0.001425 -0.001771 31O 1f+1 -0.000280 0.000374 0.000433 -0.000344 0.000356 0.000112 31O 1f-1 0.001154 -0.001055 -0.000146 -0.000682 0.000108 -0.000669 31O 1f+2 0.000116 -0.000596 -0.000515 -0.000774 -0.000051 -0.000127 31O 1f-2 0.000702 -0.001067 -0.000557 -0.000632 -0.000011 0.002274 31O 1f+3 0.000261 0.001385 -0.000455 -0.001184 0.000979 0.000207 31O 1f-3 -0.000836 -0.001181 -0.000300 -0.001826 0.002038 0.000875 32O 1s 0.001440 -0.010916 -0.000602 0.002512 0.004955 -0.002765 32O 2s 0.003169 -0.023664 -0.001508 0.005350 0.010701 -0.005603 32O 3s 0.000802 -0.012938 0.002811 0.003860 0.006556 -0.009675 32O 4s -0.070576 0.474522 0.013458 -0.106890 -0.231976 0.128559 32O 5s 0.275865 -1.124272 -0.077745 0.235491 0.623436 -0.167734 32O 1pz 0.034799 0.061878 0.140817 -0.015692 -0.004176 -0.048313 32O 1px 0.062290 -0.006403 0.028779 0.007657 0.049634 -0.024776 32O 1py -0.024225 0.038989 -0.000040 0.031368 -0.032379 -0.031340 32O 2pz 0.044152 0.150959 0.295503 -0.052918 -0.007000 -0.121499 32O 2px 0.153677 -0.054657 0.051809 0.013247 0.127122 -0.041906 32O 2py -0.066497 0.061814 0.009140 0.035709 -0.062721 -0.048519 32O 3pz -0.187003 -0.616571 -1.162410 0.324934 -0.089436 0.639987 32O 3px -0.645471 0.185311 -0.251150 0.001245 -0.468720 0.135369 32O 3py 0.338533 -0.324302 -0.026771 0.043897 0.243108 0.087673 32O 1dz2 0.001067 0.002423 0.004043 -0.000738 -0.000334 -0.002706 32O 1dxz -0.003157 -0.001130 -0.003721 0.000467 -0.000951 0.001402 32O 1dyz 0.002913 0.003764 0.007456 -0.001915 0.001011 -0.005157 32O 1dx2y2 0.000770 -0.000740 -0.001570 0.000199 0.000259 0.001261 32O 1dxy 0.003055 -0.000045 0.002742 -0.002222 0.002646 -0.000584 32O 2dz2 -0.011097 0.005605 -0.018630 0.006020 -0.008454 0.006718 32O 2dxz 0.007549 0.011131 0.019376 -0.004193 -0.001167 -0.008209 32O 2dyz -0.004373 -0.002669 -0.012159 0.011053 -0.000705 0.009676 32O 2dx2y2 -0.005688 -0.011973 0.003342 0.001081 0.008534 -0.003398 32O 2dxy -0.004558 -0.013708 0.000932 -0.001742 -0.013691 0.008731 32O 1f0 0.000179 -0.000943 0.000223 0.000139 0.000616 -0.000299 32O 1f+1 -0.000446 0.000798 -0.000453 -0.000031 -0.000390 0.000033 32O 1f-1 -0.000169 -0.000524 -0.000897 0.000655 0.000752 -0.000220 32O 1f+2 0.000792 0.000760 0.000910 -0.000093 -0.000434 -0.000014 32O 1f-2 0.000336 0.000013 0.000438 0.000244 0.000697 0.000078 32O 1f+3 0.000190 0.000597 -0.000154 -0.000515 -0.000329 0.000313 32O 1f-3 -0.000498 0.001269 -0.000275 -0.000473 0.000103 -0.000225 33O 1s -0.004254 0.000814 -0.005142 -0.002272 0.003142 -0.005029 33O 2s -0.010029 0.002623 -0.012330 -0.004622 0.007388 -0.012818 33O 3s 0.013988 -0.016461 0.012863 -0.015542 -0.009537 0.038936 33O 4s 0.163365 0.009627 0.040863 0.123347 -0.033933 -0.055254 33O 5s -1.929258 0.463494 0.835685 0.586918 -0.069052 0.417329 33O 1pz 0.010194 0.032674 0.021399 0.024983 0.003519 0.018714 33O 1px -0.111448 -0.010075 0.041506 -0.025669 0.015912 -0.022062 33O 1py -0.019954 -0.019664 -0.018065 0.021747 0.003946 -0.046915 33O 2pz -0.127221 0.016727 0.123007 0.079178 0.052268 0.016412 33O 2px -0.139978 -0.026284 0.035079 -0.099258 0.049484 0.058160 33O 2py -0.084070 -0.124134 -0.049824 0.078749 0.008891 -0.128538 33O 3pz -0.086365 0.569270 -0.088274 0.432657 -0.016177 -0.634014 33O 3px 1.513289 -0.240700 -0.553822 -0.512747 -0.377050 0.043005 33O 3py 0.340336 0.673406 0.119111 -0.130497 -0.113585 0.066896 33O 1dz2 -0.003843 -0.000928 0.000626 0.001341 -0.000459 0.000419 33O 1dxz -0.004896 0.002957 0.005145 0.004522 0.003978 -0.007914 33O 1dyz -0.000174 -0.001068 -0.001681 0.000352 -0.000747 -0.000120 33O 1dx2y2 0.007004 -0.000942 -0.004005 -0.004532 -0.001167 0.004119 33O 1dxy 0.000199 0.003629 0.000922 -0.000091 0.000061 -0.002152 33O 2dz2 -0.004923 -0.001852 -0.009051 0.020829 -0.017596 -0.013868 33O 2dxz 0.059886 -0.010738 -0.021513 -0.026819 -0.015450 -0.004263 33O 2dyz -0.010995 0.026260 0.021173 0.001390 0.014367 0.013182 33O 2dx2y2 -0.030841 -0.010188 -0.005326 0.029401 -0.011873 -0.029346 33O 2dxy 0.002463 0.011167 0.011258 -0.005589 0.006480 -0.000854 33O 1f0 0.001892 -0.000981 -0.000950 -0.001549 0.001142 -0.000861 33O 1f+1 0.000876 -0.000562 0.000966 -0.000446 -0.000800 0.000190 33O 1f-1 0.000305 0.000508 -0.000102 -0.000556 -0.001267 -0.000305 33O 1f+2 -0.002587 0.000768 0.000900 0.002226 -0.001400 0.000538 33O 1f-2 0.001365 -0.001041 0.000449 -0.000162 -0.000727 0.001099 33O 1f+3 -0.001385 0.000451 0.000497 0.001862 -0.002021 -0.000224 33O 1f-3 0.000345 0.000210 0.000475 -0.000223 0.000903 -0.000086 34O 1s 0.005552 0.003099 0.006023 0.002623 -0.000765 0.001174 34O 2s 0.013271 0.006371 0.013786 0.006387 -0.001098 0.003076 34O 3s -0.020827 0.010371 -0.001610 -0.017915 -0.013544 -0.006302 34O 4s -0.101135 -0.074794 -0.140541 -0.046320 0.085174 -0.038389 34O 5s 0.890392 -0.764680 -0.521690 0.855809 -0.002921 -0.047905 34O 1pz -0.017424 -0.007173 -0.030184 -0.045596 0.092588 0.059295 34O 1px -0.038629 0.012307 0.032642 -0.003336 0.014319 -0.043281 34O 1py -0.017670 0.005754 0.046199 -0.058926 0.055897 0.008208 34O 2pz -0.020334 0.025857 -0.073554 -0.180835 0.225507 0.115552 34O 2px 0.021882 0.017575 -0.012665 0.058878 0.065040 -0.056576 34O 2py -0.080935 -0.054735 0.141646 -0.135081 0.130685 0.050475 34O 3pz -0.137481 -0.112728 0.361609 0.636576 -0.752777 -0.139962 34O 3px 0.453041 -0.797661 -0.657066 0.987176 -0.058903 0.062993 34O 3py 0.240131 0.743209 -0.509133 -0.254345 -0.328497 -0.296174 34O 1dz2 -0.000618 -0.002724 -0.004372 0.005701 -0.002146 0.001552 34O 1dxz 0.001346 -0.002863 -0.003115 0.000847 0.004046 0.000952 34O 1dyz 0.000546 0.002529 -0.000887 -0.001708 0.000554 -0.000287 34O 1dx2y2 0.000212 0.006472 0.005333 -0.009506 0.002364 -0.000360 34O 1dxy 0.000155 -0.005021 0.001098 0.004578 -0.000480 0.002886 34O 2dz2 -0.022915 0.012245 0.018476 0.023335 -0.020343 -0.011490 34O 2dxz 0.010642 -0.000626 0.007509 0.008358 -0.005328 -0.008485 34O 2dyz 0.013895 0.030705 0.002978 -0.026230 0.014011 0.004991 34O 2dx2y2 0.024813 -0.005596 -0.029303 0.043056 0.009712 -0.013423 34O 2dxy -0.010699 0.013237 0.003684 -0.010428 -0.007001 0.015034 34O 1f0 0.000118 -0.001128 -0.001647 -0.000315 0.001104 -0.000191 34O 1f+1 -0.002534 0.000751 0.000747 -0.000764 -0.001209 -0.000054 34O 1f-1 0.001550 -0.000572 0.000415 0.001091 -0.000090 0.000007 34O 1f+2 0.000006 0.001599 0.000480 -0.000357 -0.001515 -0.000471 34O 1f-2 0.001257 0.000527 -0.000235 -0.000823 0.000742 -0.000922 34O 1f+3 -0.000828 0.000208 0.002697 -0.000494 -0.002352 0.000973 34O 1f-3 0.001902 -0.000772 0.000863 0.001554 0.000726 0.000442 35O 1s -0.001748 0.006438 -0.000603 -0.003987 0.003934 -0.007679 35O 2s -0.003572 0.014278 -0.000852 -0.010555 0.009239 -0.018277 35O 3s -0.006390 -0.006409 -0.006385 0.042288 -0.006898 0.022503 35O 4s 0.154046 -0.217545 0.079887 -0.021379 -0.120072 0.149710 35O 5s -1.024983 1.319444 -0.439565 -0.848250 0.547996 -0.152089 35O 1pz -0.063696 -0.015753 -0.009758 -0.021335 -0.062448 -0.017119 35O 1px 0.013906 -0.057768 -0.046691 0.010934 -0.028325 -0.005402 35O 1py 0.001688 -0.010887 0.022606 -0.047620 0.069976 0.055556 35O 2pz -0.140213 0.046145 -0.033648 -0.000046 -0.183786 0.024233 35O 2px 0.035782 0.032645 -0.112781 -0.083136 -0.075393 -0.067540 35O 2py 0.009764 0.073200 0.061002 -0.139233 0.130358 0.186023 35O 3pz 0.403334 -0.470028 0.059490 -0.574808 0.843715 -0.784073 35O 3px -0.666943 0.616227 -0.144597 -1.241155 0.525533 0.120985 35O 3py -0.293660 0.012380 -0.230768 -0.522799 0.037871 -0.941827 35O 1dz2 -0.003355 0.000166 -0.003400 -0.008358 0.003179 -0.002528 35O 1dxz -0.001680 0.000731 0.000819 0.001704 -0.005164 0.005512 35O 1dyz -0.002066 -0.000378 0.000844 -0.000607 -0.000259 -0.000377 35O 1dx2y2 0.002929 -0.001884 0.002600 0.010129 -0.002774 -0.000256 35O 1dxy 0.004826 -0.002933 0.003551 0.008825 -0.001912 0.004007 35O 2dz2 0.003089 -0.032585 0.019784 0.008399 0.028425 0.013189 35O 2dxz 0.011612 0.024515 -0.002218 -0.007767 0.000326 0.015203 35O 2dyz -0.024081 -0.019632 -0.016663 0.004062 0.017707 -0.021796 35O 2dx2y2 -0.015213 0.021085 0.006839 -0.040542 0.005761 0.020936 35O 2dxy -0.010140 0.027271 -0.005441 -0.033786 0.007787 0.010648 35O 1f0 -0.000949 -0.001401 -0.000160 0.001150 -0.001576 0.001067 35O 1f+1 -0.000168 -0.002636 0.000181 0.001151 0.001983 -0.000740 35O 1f-1 0.000593 -0.000539 -0.000187 0.000277 0.000288 -0.000918 35O 1f+2 0.001779 0.000891 -0.000175 0.000194 0.000489 -0.000312 35O 1f-2 0.000339 0.000720 -0.000401 -0.001173 0.001858 -0.002783 35O 1f+3 0.000112 0.000051 0.000117 0.001002 0.000467 -0.001476 35O 1f-3 -0.000149 -0.003192 0.000158 0.002688 0.000913 0.000462 228 229 230 231 232 233 0.65943 0.65991 0.66736 0.66801 0.68425 0.69868 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s 0.000227 0.001169 -0.001305 -0.000855 0.003204 -0.000405 0Rh 2s 0.001972 0.000917 0.003316 0.000074 -0.006788 0.000950 0Rh 3s 0.002543 0.007390 -0.005564 -0.004945 0.014499 -0.001776 0Rh 4s -0.010096 -0.006444 -0.014201 0.001031 0.028174 -0.004029 0Rh 5s 0.032816 0.052151 -0.003467 -0.028566 0.026116 -0.002091 0Rh 6s -0.078833 -0.179057 0.094284 0.111617 -0.264966 0.031854 0Rh 7s 0.601279 1.579293 -0.667622 -0.977001 1.204830 -0.295723 0Rh 8s -0.185495 -2.049386 0.501588 1.265754 1.580610 0.449017 0Rh 1pz -0.001713 -0.006387 0.005424 -0.014190 -0.000182 -0.015399 0Rh 1px 0.003306 -0.000905 0.002474 -0.006509 -0.001673 -0.004788 0Rh 1py -0.006872 0.011764 -0.001924 -0.000180 -0.011803 -0.001282 0Rh 2pz 0.006507 0.022062 -0.018621 0.048875 0.000485 0.053431 0Rh 2px -0.011252 0.003301 -0.008733 0.022264 0.005401 0.016531 0Rh 2py 0.023685 -0.040616 0.007017 0.000821 0.040778 0.004450 0Rh 3pz -0.017038 -0.019747 0.014140 -0.039900 0.002106 -0.051034 0Rh 3px 0.006841 -0.006121 0.011178 -0.015446 0.002960 -0.014258 0Rh 3py -0.019917 0.035502 -0.013335 -0.004675 -0.035734 -0.004174 0Rh 4pz 0.033339 -0.028536 0.035619 -0.086468 -0.008183 -0.063550 0Rh 4px 0.027086 0.006372 0.000184 -0.047707 -0.040846 -0.025174 0Rh 4py -0.037459 0.059935 0.017588 0.015024 -0.060670 -0.006018 0Rh 5pz -0.076265 -0.040810 0.004197 0.011101 -0.005408 -0.076243 0Rh 5px -0.000472 -0.014086 0.026310 0.003318 0.084067 -0.015511 0Rh 5py -0.020074 0.033653 -0.058497 -0.038418 -0.031317 -0.002064 0Rh 6pz -0.213172 0.888832 -1.166164 1.466082 0.678426 1.505270 0Rh 6px -0.598511 0.242071 -0.121696 0.826102 -1.013745 0.536189 0Rh 6py 1.094110 -1.552556 -0.272040 -0.009901 0.605782 0.029594 0Rh 1dz2 -0.020591 -0.001608 -0.006095 -0.003219 0.000881 0.002254 0Rh 1dxz 0.030730 -0.014232 0.014820 -0.004114 -0.033725 0.012985 0Rh 1dyz 0.011752 -0.001400 -0.007664 0.005355 -0.002329 -0.002013 0Rh 1dx2y2 0.013912 -0.012805 -0.006856 -0.007450 -0.012556 0.005891 0Rh 1dxy -0.010661 0.008129 0.030916 0.006826 0.007378 0.009878 0Rh 2dz2 0.003982 -0.000359 0.001365 0.002385 0.000248 -0.000449 0Rh 2dxz -0.005031 0.001885 -0.002013 0.001159 0.005957 -0.001815 0Rh 2dyz -0.001839 -0.000182 0.000996 -0.001702 0.000086 0.000346 0Rh 2dx2y2 -0.002737 0.003240 0.000240 0.001100 0.002342 -0.001644 0Rh 2dxy 0.002130 -0.001056 -0.005913 -0.001312 -0.001040 -0.001876 0Rh 3dz2 0.023477 0.004743 0.006258 -0.003534 -0.002692 -0.002563 0Rh 3dxz -0.039048 0.020001 -0.020728 0.003331 0.041308 -0.018091 0Rh 3dyz -0.015226 0.003488 0.010833 -0.003259 0.004113 0.002642 0Rh 3dx2y2 -0.015523 0.011459 0.012387 0.010115 0.015015 -0.004738 0Rh 3dxy 0.011735 -0.011403 -0.035675 -0.007774 -0.010010 -0.011528 0Rh 4dz2 0.076119 -0.004796 0.025340 0.034772 0.000780 -0.008995 0Rh 4dxz -0.099834 0.038357 -0.040958 0.018877 0.114554 -0.036088 0Rh 4dyz -0.036498 -0.002345 0.020369 -0.030576 0.003397 0.004714 0Rh 4dx2y2 -0.052805 0.058492 0.007866 0.019286 0.045231 -0.029190 0Rh 4dxy 0.040380 -0.021745 -0.113002 -0.026030 -0.020452 -0.036914 0Rh 5dz2 -0.153128 0.083980 -0.063732 -0.125785 0.018319 0.039785 0Rh 5dxz 0.171344 0.011016 0.026115 -0.060164 -0.179010 0.007421 0Rh 5dyz 0.034780 0.053809 0.018013 0.124365 0.017632 0.040854 0Rh 5dx2y2 0.101158 -0.205378 0.076251 0.046638 -0.115264 0.092370 0Rh 5dxy -0.109612 0.005356 0.249672 0.080915 -0.002582 0.098468 0Rh 1f0 0.013355 -0.005426 -0.001891 0.006474 -0.002337 -0.005405 0Rh 1f+1 0.018376 -0.002415 0.003408 -0.000167 -0.013851 -0.003029 0Rh 1f-1 -0.005475 0.001518 -0.003677 -0.000110 0.002343 -0.003426 0Rh 1f+2 0.006109 0.006179 -0.002346 0.004666 0.001366 0.003526 0Rh 1f-2 -0.004406 0.006357 -0.002959 -0.013661 -0.001699 0.006126 0Rh 1f+3 0.007603 -0.000968 0.002449 -0.005077 0.000999 -0.003096 0Rh 1f-3 -0.010620 0.002390 0.008083 0.007997 -0.012864 -0.001588 1Rh 1s 0.000633 0.000788 0.001438 -0.000569 -0.003216 0.000394 1Rh 2s -0.000207 0.002337 -0.003243 -0.000557 0.006826 -0.000954 1Rh 3s 0.003566 0.006044 0.006384 -0.003668 -0.014542 0.001710 1Rh 4s -0.000026 -0.012816 0.013625 0.003668 -0.028342 0.004066 1Rh 5s 0.019390 0.056854 0.008964 -0.026595 -0.026028 0.001665 1Rh 6s -0.080079 -0.162786 -0.113671 0.088660 0.265525 -0.030314 1Rh 7s 0.805654 1.415990 0.845733 -0.812830 -1.206937 0.278497 1Rh 8s -1.524422 -1.540200 -0.746882 1.127231 -1.578487 -0.423608 1Rh 1pz 0.004475 0.005199 0.001528 0.015225 -0.000596 -0.015181 1Rh 1px 0.002960 -0.002066 0.000807 0.006977 -0.001759 -0.004762 1Rh 1py -0.013215 -0.002503 -0.001546 0.000072 -0.011825 -0.001139 1Rh 2pz -0.015062 -0.018420 -0.005178 -0.052455 0.001917 0.052678 1Rh 2px -0.010257 0.006881 -0.003014 -0.023933 0.005695 0.016445 1Rh 2py 0.045611 0.008694 0.005748 -0.000353 0.040859 0.003949 1Rh 3pz 0.005925 0.025291 0.002751 0.043120 0.000795 -0.050423 1Rh 3px 0.009615 -0.001315 0.006894 0.017878 0.002732 -0.014269 1Rh 3py -0.039627 -0.008587 -0.012963 0.002418 -0.035899 -0.003647 1Rh 4pz 0.048044 -0.009116 0.013610 0.091390 -0.010137 -0.062188 1Rh 4px 0.012978 -0.026863 -0.010906 0.046703 -0.041407 -0.024725 1Rh 4py -0.067799 -0.009528 0.022573 -0.008522 -0.060417 -0.005531 1Rh 5pz -0.019376 0.086262 0.002589 -0.006718 -0.006425 -0.076485 1Rh 5px 0.010860 0.013321 0.025357 0.002812 0.084172 -0.015826 1Rh 5py -0.040977 -0.008406 -0.065315 0.024497 -0.032044 -0.002380 1Rh 6pz -0.876408 -0.402337 -0.733912 -1.689818 0.717553 1.486202 1Rh 6px -0.602975 0.259514 0.090988 -0.821210 -1.002508 0.520482 1Rh 6py 1.885850 0.135478 -0.306854 -0.124923 0.595418 0.085962 1Rh 1dz2 0.011930 -0.016454 0.007205 -0.002168 -0.000857 -0.001949 1Rh 1dxz -0.030553 0.014857 -0.013475 -0.005710 0.034087 -0.012904 1Rh 1dyz -0.007873 0.008170 0.006539 0.007476 0.002533 0.001744 1Rh 1dx2y2 -0.018626 0.003196 0.008587 -0.004281 0.012825 -0.005815 1Rh 1dxy 0.012675 -0.004583 -0.031528 -0.001298 -0.007493 -0.009439 1Rh 2dz2 -0.002770 0.002697 -0.001953 0.002106 -0.000257 0.000472 1Rh 2dxz 0.004617 -0.002715 0.001683 0.001326 -0.006026 0.001832 1Rh 2dyz 0.000920 -0.001513 -0.000607 -0.001928 -0.000089 -0.000310 1Rh 2dx2y2 0.004284 -0.000182 -0.000515 0.000708 -0.002397 0.001683 1Rh 2dxy -0.002088 0.001245 0.006036 0.000214 0.001070 0.001793 1Rh 3dz2 -0.011579 0.020846 -0.005998 -0.004449 0.002680 0.001870 1Rh 3dxz 0.040487 -0.017662 0.019444 0.005779 -0.041732 0.017862 1Rh 3dyz 0.011508 -0.009607 -0.010279 -0.006462 -0.004501 -0.002264 1Rh 3dx2y2 0.018329 -0.005334 -0.014660 0.005561 -0.015319 0.004423 1Rh 3dxy -0.015861 0.003636 0.036343 0.001711 0.010109 0.011012 1Rh 4dz2 -0.051700 0.053340 -0.034259 0.029907 -0.000899 0.008929 1Rh 4dxz 0.092471 -0.053175 0.035399 0.022540 -0.115804 0.036200 1Rh 4dyz 0.019152 -0.029276 -0.013525 -0.035515 -0.003568 -0.003932 1Rh 4dx2y2 0.079198 -0.005919 -0.012655 0.011266 -0.046197 0.029597 1Rh 4dxy -0.041022 0.022619 0.115486 0.003263 0.021017 0.035310 1Rh 5dz2 0.159788 -0.060240 0.092654 -0.113626 -0.018564 -0.042211 1Rh 5dxz -0.096272 0.137729 -0.011359 -0.058261 0.180732 -0.008760 1Rh 5dyz 0.023955 0.057679 -0.045217 0.115736 -0.020256 -0.042277 1Rh 5dx2y2 -0.225452 -0.046607 -0.083491 0.041577 0.116623 -0.094351 1Rh 5dxy 0.071916 -0.090563 -0.259637 0.016849 0.000357 -0.094559 1Rh 1f0 0.012193 -0.006533 -0.000536 -0.007166 -0.002350 -0.005517 1Rh 1f+1 0.014477 -0.013030 0.004694 0.000215 -0.013121 -0.003086 1Rh 1f-1 -0.005398 0.003151 -0.004603 -0.000510 0.001809 -0.003438 1Rh 1f+2 -0.001606 -0.008847 -0.001383 -0.005288 0.001276 0.003400 1Rh 1f-2 -0.006096 -0.001515 -0.004308 0.012761 -0.001189 0.006434 1Rh 1f+3 0.005629 -0.005584 0.001215 0.005312 0.000999 -0.003158 1Rh 1f-3 -0.009212 0.007237 0.008675 -0.005699 -0.013257 -0.001459 2C 1s 0.002994 0.000912 0.004516 0.001805 -0.003644 0.000090 2C 2s 0.009447 0.005227 0.012748 0.004023 -0.008377 0.003168 2C 3s -0.008015 -0.040662 -0.015257 0.003774 -0.039851 -0.074369 2C 4s -0.029998 0.357173 -0.059717 -0.044906 0.173850 0.445857 2C 5s -0.684199 -3.768007 -4.207447 1.529093 3.556779 1.124706 2C 1pz -0.011808 -0.010451 -0.018045 0.018116 -0.030435 -0.012532 2C 1px 0.006639 -0.014714 -0.005231 0.007841 0.002882 0.009720 2C 1py -0.002950 -0.006183 -0.013216 0.010467 0.007808 -0.009332 2C 2pz 0.017243 0.064040 -0.215735 0.134630 0.063367 0.082133 2C 2px 0.060741 -0.007833 0.034292 0.047875 0.057815 0.152959 2C 2py -0.112859 -0.092749 0.072388 -0.058904 0.075973 0.097586 2C 3pz 0.158342 -0.509896 -1.335151 0.466882 1.126770 0.382573 2C 3px 0.373201 0.259396 0.359834 -0.118111 0.492779 0.611432 2C 3py -0.629886 -0.911469 -0.221258 0.094309 0.050840 0.439357 2C 1dz2 -0.000145 -0.000599 0.000146 -0.001984 0.004905 0.002675 2C 1dxz 0.001781 0.001540 -0.000425 -0.000137 0.002162 0.000952 2C 1dyz -0.000023 -0.000807 -0.004708 0.003173 0.002125 0.002662 2C 1dx2y2 0.000591 0.000625 -0.001785 0.000429 -0.000282 -0.003399 2C 1dxy -0.003279 -0.003801 0.003287 -0.000275 -0.003546 -0.000217 2C 2dz2 -0.038430 -0.023880 0.064620 -0.018197 0.036070 0.036645 2C 2dxz -0.119802 -0.010963 0.014893 -0.027536 -0.024165 -0.052839 2C 2dyz 0.084128 -0.022919 0.053045 0.027304 -0.006354 0.094277 2C 2dx2y2 -0.081826 -0.029336 0.190162 -0.113063 0.081975 0.069985 2C 2dxy 0.093989 0.192523 -0.161591 0.020627 0.161432 -0.026304 2C 1f0 -0.008260 -0.006966 0.007015 -0.001787 -0.000882 0.003326 2C 1f+1 0.000887 0.003469 -0.006020 0.004877 0.001464 0.002134 2C 1f-1 -0.004266 -0.001698 -0.006336 0.000679 0.004897 0.000173 2C 1f+2 0.003349 0.006163 0.003388 0.003543 -0.005518 -0.001429 2C 1f-2 -0.008089 -0.001646 -0.004862 -0.000272 0.005425 0.000794 2C 1f+3 0.001684 0.000161 0.007594 0.000672 -0.003101 0.002472 2C 1f-3 0.004536 -0.001718 0.001572 -0.000725 0.000615 0.000714 3C 1s 0.006347 -0.001724 -0.001157 -0.003123 -0.004466 -0.000818 3C 2s 0.017529 -0.001894 -0.003904 -0.010697 -0.014333 -0.000735 3C 3s 0.005646 -0.038386 0.016848 0.046594 0.090525 -0.042383 3C 4s -0.074694 0.300757 0.034232 -0.354734 -0.516436 0.169330 3C 5s -7.689556 0.640603 -0.065574 2.320651 3.003206 2.264531 3C 1pz -0.014627 -0.007052 0.012597 0.004407 0.001267 0.011498 3C 1px -0.001231 -0.004539 0.004370 0.005718 0.018342 -0.008642 3C 1py 0.010856 0.014363 -0.014890 0.003931 -0.004726 0.018633 3C 2pz -0.119170 0.023291 0.130237 0.094612 -0.047389 0.111817 3C 2px -0.041032 0.100284 0.070057 0.142474 0.010439 -0.016157 3C 2py 0.148598 0.002607 0.038950 0.162717 0.104641 -0.068907 3C 3pz -1.234318 -0.126895 0.334811 0.647516 0.573692 -0.146932 3C 3px -0.607287 0.532193 0.293644 0.317537 -0.016504 0.212419 3C 3py 1.697695 -0.392414 0.367755 0.027419 -0.249493 -0.849154 3C 1dz2 0.001037 -0.001099 -0.003049 -0.003205 0.000086 -0.001496 3C 1dxz -0.002555 0.002840 0.002424 0.001604 -0.001772 0.000853 3C 1dyz 0.004772 0.000142 -0.000147 0.000138 -0.001005 0.000967 3C 1dx2y2 0.002075 -0.003167 0.002491 0.000950 0.001232 -0.003417 3C 1dxy 0.001943 0.000302 0.001209 0.001071 0.002920 -0.003818 3C 2dz2 -0.079441 -0.012362 0.057285 0.033395 0.086201 -0.095316 3C 2dxz 0.011528 -0.066129 -0.185568 -0.227403 -0.015122 -0.023963 3C 2dyz -0.001320 -0.048623 0.037924 0.040904 0.043150 -0.045911 3C 2dx2y2 0.041215 0.043248 -0.153265 -0.148820 0.041436 -0.028698 3C 2dxy 0.001791 -0.036718 0.021241 0.040221 -0.068411 0.036736 3C 1f0 0.001693 0.000119 -0.004055 -0.004664 0.001431 -0.002139 3C 1f+1 -0.001204 0.001497 0.002572 0.004816 0.002330 0.001785 3C 1f-1 -0.005046 -0.000808 0.004750 0.004246 0.000900 -0.002662 3C 1f+2 0.014234 0.001868 -0.002954 -0.004994 -0.001134 -0.005061 3C 1f-2 0.008340 -0.002047 -0.000177 -0.006874 -0.003385 0.000064 3C 1f+3 -0.002230 -0.000356 -0.006970 -0.006474 -0.000524 -0.001779 3C 1f-3 0.003580 0.000737 -0.007916 -0.004679 0.001149 -0.001441 4C 1s 0.002531 -0.002306 -0.000661 0.004715 -0.005012 0.006268 4C 2s 0.008144 -0.005002 0.000234 0.010286 -0.014282 0.014667 4C 3s -0.093792 -0.024707 0.009452 0.036417 0.191640 0.066236 4C 4s 0.261452 0.305883 -0.532949 -0.573708 -0.733941 -0.916862 4C 5s 1.140427 3.147035 1.377675 -1.238414 -2.911251 -1.147861 4C 1pz -0.046799 0.015226 -0.029918 -0.053758 0.060141 -0.050377 4C 1px 0.028304 -0.024136 0.020450 0.064435 -0.015453 0.016406 4C 1py -0.049546 -0.015056 -0.007037 -0.008540 0.013719 -0.023355 4C 2pz -0.027153 0.230302 -0.101813 -0.358012 -0.105714 -0.187118 4C 2px 0.061391 -0.146128 -0.090945 0.554000 0.080309 0.148180 4C 2py 0.076005 -0.000640 -0.013883 -0.043536 -0.006284 -0.131462 4C 3pz 0.174284 -0.454722 -2.076098 0.903221 1.115726 2.090214 4C 3px -0.476930 -0.656074 -1.056685 0.799183 -0.329722 -0.121273 4C 3py 1.269718 -0.341771 -1.598952 0.586014 1.405580 0.782100 4C 1dz2 0.000505 -0.006365 -0.006980 -0.000234 0.002450 -0.000631 4C 1dxz -0.002310 -0.014012 -0.000225 0.005401 0.001619 0.005163 4C 1dyz -0.010333 -0.005783 -0.005264 0.000498 0.004910 0.000314 4C 1dx2y2 0.006097 -0.001062 0.005680 -0.008510 -0.010256 -0.005813 4C 1dxy 0.005338 0.001667 -0.008571 0.004295 -0.000546 -0.002392 4C 2dz2 0.031302 0.108590 0.083481 0.035442 -0.118833 0.054709 4C 2dxz 0.017316 0.016765 0.027333 0.200190 0.036763 0.197940 4C 2dyz 0.185894 0.061341 0.175236 -0.096673 -0.095900 -0.057350 4C 2dx2y2 -0.086311 0.026365 -0.197105 0.046725 -0.165552 -0.084324 4C 2dxy 0.033056 0.066699 -0.055003 0.102899 0.033550 -0.046049 4C 1f0 -0.002665 -0.001848 0.000364 0.003947 0.005998 0.005606 4C 1f+1 0.002214 -0.004807 0.002731 0.008177 0.012883 0.012027 4C 1f-1 0.001168 0.003753 -0.001268 -0.003371 0.004560 0.004397 4C 1f+2 0.004227 0.005587 -0.005801 -0.010102 -0.018088 -0.012708 4C 1f-2 -0.003415 0.000890 0.002808 0.009809 0.001773 0.008257 4C 1f+3 0.003401 -0.004051 0.006775 -0.011371 -0.004531 -0.004609 4C 1f-3 -0.011590 -0.001017 0.007194 -0.003689 0.008423 0.007086 5C 1s 0.003416 -0.002335 -0.001087 -0.005446 -0.005467 0.001074 5C 2s 0.011527 -0.005872 -0.003367 -0.013651 -0.013054 0.001837 5C 3s -0.142881 0.018154 -0.029030 0.062949 -0.048051 0.078263 5C 4s 0.074978 0.229922 0.508630 0.102638 0.944401 -0.582946 5C 5s 4.583657 0.453490 0.750246 -2.380621 -1.214881 -1.694500 5C 1pz -0.019115 -0.009354 -0.007581 0.011168 0.026346 -0.003222 5C 1px 0.011620 -0.000106 0.053226 0.118784 -0.002658 0.001276 5C 1py 0.051772 -0.010962 -0.008920 -0.025296 -0.066353 -0.000912 5C 2pz 0.003892 -0.069087 0.075827 -0.170784 0.128609 0.059736 5C 2px 0.061521 0.316425 0.058847 0.747806 0.193578 -0.137845 5C 2py -0.015773 -0.028939 -0.095562 0.122597 -0.094398 0.076193 5C 3pz -1.748484 1.140900 -0.348265 -0.857976 0.271427 1.349405 5C 3px -1.638538 0.515888 0.146188 0.187749 -0.052680 0.928973 5C 3py 3.440459 -1.368113 -0.307961 0.726545 0.085328 -0.717903 5C 1dz2 0.001791 -0.001837 0.002150 -0.001603 -0.008759 0.003054 5C 1dxz -0.006088 -0.003454 -0.002455 -0.002292 -0.004372 0.004139 5C 1dyz 0.007991 0.003071 -0.002846 -0.001860 -0.003653 -0.000686 5C 1dx2y2 0.010530 0.001921 0.003216 0.000314 -0.002132 -0.004086 5C 1dxy 0.010932 -0.002557 -0.007246 -0.015663 -0.001469 -0.001858 5C 2dz2 -0.036164 0.002445 -0.007608 0.075032 0.004192 0.176196 5C 2dxz 0.094747 0.088502 -0.106426 0.066113 -0.097370 0.080045 5C 2dyz -0.200197 -0.009213 -0.030159 0.116986 -0.011941 -0.046356 5C 2dx2y2 -0.075863 0.072647 0.082843 0.195055 0.218986 -0.022962 5C 2dxy -0.129788 -0.119652 0.145703 -0.083745 -0.047579 0.140018 5C 1f0 0.000360 0.001907 -0.007167 0.007854 0.000746 -0.004491 5C 1f+1 -0.005266 -0.005707 0.004584 -0.004630 -0.013581 0.008335 5C 1f-1 0.001037 0.003361 0.000650 0.002501 -0.001276 -0.006047 5C 1f+2 0.000876 -0.002495 0.005488 0.002972 0.005251 0.001711 5C 1f-2 0.003135 -0.011390 0.005294 -0.017615 0.005183 -0.003416 5C 1f+3 -0.007027 -0.003894 -0.004023 -0.006831 -0.010536 0.010583 5C 1f-3 0.009161 -0.000439 0.010017 0.002460 0.004904 -0.007963 6C 1s -0.004197 0.001430 0.001827 -0.004968 0.005282 -0.001301 6C 2s -0.012275 0.005848 0.005271 -0.012181 0.012629 -0.002367 6C 3s 0.100641 -0.098942 0.015019 0.064743 0.048723 -0.077238 6C 4s 0.172554 0.173329 -0.482934 -0.029770 -0.932867 0.588536 6C 5s -2.490958 3.801541 -0.161515 -2.358958 1.239061 1.650725 6C 1pz -0.004440 0.022835 -0.006663 -0.012134 0.026280 -0.003642 6C 1px 0.003615 -0.006874 0.078431 -0.103170 -0.003270 -0.000050 6C 1py 0.041695 -0.035152 -0.010940 0.019413 -0.065759 0.000118 6C 2pz 0.052754 0.045130 0.020769 0.181767 0.122796 0.061360 6C 2px -0.231495 -0.235114 0.239153 -0.703114 0.202597 -0.151244 6C 2py 0.020561 0.021995 -0.047266 -0.142473 -0.086537 0.076089 6C 3pz -1.933688 0.570585 -0.486176 0.825562 0.277442 1.370320 6C 3px -1.426586 0.886397 0.240641 -0.100492 -0.019105 0.882499 6C 3py 3.136017 -1.741628 -0.226214 -0.909435 0.072668 -0.766826 6C 1dz2 -0.002952 0.000244 -0.001954 -0.001943 0.008725 -0.003057 6C 1dxz 0.000757 -0.006437 0.002705 -0.001884 0.004346 -0.003966 6C 1dyz -0.002564 0.008326 0.002876 -0.000847 0.003508 0.000688 6C 1dx2y2 -0.004452 0.009201 -0.002822 -0.000083 0.002373 0.004362 6C 1dxy -0.009066 0.007066 0.010917 -0.013062 0.001903 0.001532 6C 2dz2 0.025964 -0.026429 -0.010863 0.074336 -0.007726 -0.173602 6C 2dxz 0.012871 0.133994 0.083564 0.093631 0.096711 -0.077521 6C 2dyz 0.116775 -0.163717 0.003097 0.112251 0.011031 0.044810 6C 2dx2y2 0.108776 -0.019068 -0.124432 0.159992 -0.222664 0.025887 6C 2dxy -0.012258 -0.175716 -0.114837 -0.115560 0.050453 -0.138697 6C 1f0 -0.001209 -0.001509 -0.004820 -0.009124 0.000903 -0.004562 6C 1f+1 0.001598 0.007587 0.003400 0.005321 -0.013662 0.008374 6C 1f-1 -0.001999 -0.002814 0.001306 -0.002234 -0.001270 -0.005943 6C 1f+2 0.002285 0.000990 0.005856 -0.001697 0.005287 0.001671 6C 1f-2 0.010854 0.004718 0.000424 0.018051 0.004863 -0.003280 6C 1f+3 -0.000858 0.007392 -0.005399 0.005611 -0.010665 0.010725 6C 1f-3 0.005575 -0.006484 0.010013 -0.000190 0.004779 -0.008023 7C 1s -0.002763 0.000260 0.000170 0.004979 0.005323 -0.006172 7C 2s -0.007580 0.002490 -0.001209 0.010597 0.015000 -0.014469 7C 3s 0.038502 -0.086445 -0.016264 0.029285 -0.192308 -0.066270 7C 4s 0.047990 0.415142 0.595609 -0.428616 0.712980 0.913571 7C 5s 1.516733 2.946839 -1.228217 -1.584573 2.850423 1.165082 7C 1pz -0.036724 0.023309 -0.038635 0.048445 0.061043 -0.049123 7C 1px 0.029421 -0.003792 0.032867 -0.060481 -0.015625 0.015629 7C 1py -0.019247 0.047073 -0.008229 0.008253 0.013449 -0.022517 7C 2pz -0.168924 -0.141983 -0.158838 0.333533 -0.102210 -0.185462 7C 2px 0.109290 0.069775 0.031659 -0.577478 0.091134 0.147358 7C 2py 0.051397 -0.057910 -0.013030 0.036434 -0.000777 -0.128105 7C 3pz 0.266389 0.191600 -1.941788 -1.438428 1.081222 2.067296 7C 3px 0.131395 0.772462 -0.857511 -1.029117 -0.346847 -0.111242 7C 3py 0.937291 -0.731660 -1.501053 -1.018398 1.392363 0.775574 7C 1dz2 -0.005096 -0.003424 0.007106 0.001392 -0.002309 0.000831 7C 1dxz -0.008682 -0.010867 -0.000179 0.005805 -0.001393 -0.005265 7C 1dyz 0.002254 -0.011633 0.005368 0.001612 -0.004715 -0.000305 7C 1dx2y2 -0.005266 0.004163 -0.004115 -0.009365 0.009988 0.005687 7C 1dxy -0.001846 0.005340 0.006869 0.006376 0.000310 0.002320 7C 2dz2 0.063147 0.093399 -0.091263 0.014285 0.117528 -0.053230 7C 2dxz 0.013019 0.012198 -0.069221 0.193219 -0.040310 -0.196454 7C 2dyz -0.075558 0.178187 -0.151179 -0.129261 0.095678 0.054149 7C 2dx2y2 0.078266 -0.044593 0.179462 0.091699 0.165057 0.086543 7C 2dxy 0.036294 0.059983 0.025737 0.112123 -0.039700 0.048934 7C 1f0 -0.000408 0.003469 0.000987 -0.003681 0.006060 0.005477 7C 1f+1 0.004468 0.001452 0.003897 -0.007470 0.012726 0.011942 7C 1f-1 -0.001945 -0.003563 -0.001941 0.003129 0.004401 0.004433 7C 1f+2 -0.000996 -0.007558 -0.007293 0.008521 -0.018122 -0.012833 7C 1f-2 -0.003526 0.002511 0.004694 -0.009161 0.002015 0.008166 7C 1f+3 0.005891 -0.000482 0.003997 0.012511 -0.004756 -0.004502 7C 1f-3 -0.006195 0.009383 0.005690 0.005763 0.008004 0.007168 8C 1s -0.005407 0.003976 0.001692 -0.002430 0.004473 0.000796 8C 2s -0.012682 0.012820 0.005821 -0.008591 0.014376 0.000631 8C 3s -0.032662 -0.021101 -0.026299 0.041152 -0.090740 0.043570 8C 4s 0.274164 0.134596 0.043218 -0.358521 0.516467 -0.180585 8C 5s 5.259101 -5.488803 -0.520186 1.997437 -3.032932 -2.229954 8C 1pz -0.003596 0.015157 0.012853 -0.000666 0.001151 0.011247 8C 1px 0.003572 0.003656 0.006043 -0.003791 0.018682 -0.008895 8C 1py -0.005147 -0.017973 -0.014152 -0.007294 -0.004777 0.018060 8C 2pz -0.094606 0.079473 0.150834 -0.058081 -0.044214 0.109074 8C 2px -0.103468 -0.026195 0.101549 -0.115361 0.012988 -0.014852 8C 2py 0.085624 -0.112044 0.075696 -0.152748 0.108373 -0.072178 8C 3pz -0.670923 1.048623 0.494377 -0.511608 0.588272 -0.145886 8C 3px -0.790848 0.151753 0.362951 -0.208468 -0.015481 0.233572 8C 3py 1.342494 -1.022495 0.341206 0.000728 -0.258025 -0.839328 8C 1dz2 -0.001529 0.000208 0.003794 -0.002350 0.000018 0.001437 8C 1dxz 0.003817 -0.000307 -0.002821 0.000936 0.001655 -0.000897 8C 1dyz -0.002753 0.003784 0.000167 0.000343 0.001034 -0.000877 8C 1dx2y2 -0.003728 -0.000473 -0.002566 0.000455 -0.001201 0.003358 8C 1dxy -0.000979 0.001450 -0.001395 0.000775 -0.002967 0.003803 8C 2dz2 0.040411 -0.073116 -0.062371 0.015817 -0.087209 0.091497 8C 2dxz -0.062980 -0.019794 0.233307 -0.175761 0.020494 0.021672 8C 2dyz -0.037375 -0.034248 -0.046401 0.030209 -0.044126 0.046472 8C 2dx2y2 0.003589 0.062008 0.183167 -0.108209 -0.040124 0.024626 8C 2dxy -0.024800 -0.016950 -0.026364 0.034946 0.069936 -0.032907 8C 1f0 0.001024 -0.001530 -0.004968 0.003505 0.001376 -0.002027 8C 1f+1 -0.001946 0.000030 0.003565 -0.003947 0.002387 0.001765 8C 1f-1 -0.002484 0.004679 0.005586 -0.002776 0.000951 -0.002594 8C 1f+2 0.007472 -0.012291 -0.003634 0.003645 -0.001179 -0.004965 8C 1f-2 0.006925 -0.005520 -0.001680 0.006243 -0.003478 -0.000017 8C 1f+3 -0.000917 0.001617 -0.008268 0.004710 -0.000752 -0.001639 8C 1f-3 0.001845 -0.003567 -0.008735 0.002747 0.001072 -0.001355 9C 1s -0.001276 0.002801 -0.004794 0.000765 0.003633 -0.000028 9C 2s -0.002212 0.010372 -0.013358 0.001111 0.008319 -0.003022 9C 3s -0.025171 -0.033067 0.014382 0.007948 0.039625 0.073986 9C 4s 0.284114 0.217597 0.061371 -0.039012 -0.175758 -0.440344 9C 5s -2.110875 -3.001153 3.993815 2.600405 -3.470979 -1.142175 9C 1pz 0.000213 0.015102 -0.014133 -0.021640 -0.030275 -0.013687 9C 1px 0.014869 0.005103 -0.003681 -0.009859 0.002920 0.009928 9C 1py 0.002775 0.005855 -0.010781 -0.013420 0.007613 -0.009315 9C 2pz -0.042616 -0.060152 -0.177449 -0.179703 0.064691 0.075617 9C 2px 0.039764 -0.040930 0.037981 -0.048652 0.062985 0.151939 9C 2py 0.003961 0.145563 0.051620 0.073484 0.072742 0.101917 9C 3pz 0.402373 0.220501 -1.237025 -0.787974 1.105458 0.372440 9C 3px 0.023813 -0.461875 0.291952 0.167479 0.507695 0.607520 9C 3py 0.255786 1.068071 -0.250350 -0.168471 0.039013 0.457799 9C 1dz2 -0.000422 -0.000616 0.000404 -0.001930 -0.004825 -0.002703 9C 1dxz 0.000209 0.002488 0.000444 -0.000043 -0.002154 -0.000959 9C 1dyz -0.000272 -0.000540 0.003983 0.004200 -0.002100 -0.002606 9C 1dx2y2 0.000166 0.000885 0.001573 0.000700 0.000287 0.003417 9C 1dxy -0.000791 -0.004900 -0.002867 -0.000932 0.003600 0.000225 9C 2dz2 0.007941 -0.045760 -0.056107 -0.032750 -0.033835 -0.040228 9C 2dxz 0.060654 -0.102647 -0.010175 -0.037310 0.027994 0.053341 9C 2dyz -0.069644 0.046780 -0.055834 0.021316 0.004413 -0.093072 9C 2dx2y2 0.021874 -0.088128 -0.156692 -0.153036 -0.077528 -0.074605 9C 2dxy 0.086520 0.194330 0.139208 0.048090 -0.166548 0.028049 9C 1f0 0.000091 0.010770 0.006027 0.003224 -0.001116 0.003518 9C 1f+1 -0.002313 -0.002689 -0.004477 -0.006011 0.001657 0.002017 9C 1f-1 -0.001312 0.003987 -0.005840 -0.001982 0.004821 0.000151 9C 1f+2 -0.002450 -0.006451 0.004540 -0.002565 -0.005582 -0.001447 9C 1f-2 -0.003890 0.007181 -0.004756 -0.000538 0.005197 0.000682 9C 1f+3 0.000932 -0.000910 0.007412 0.000978 -0.003086 0.002482 9C 1f-3 0.004178 -0.002555 0.001518 0.000763 0.000630 0.000833 10H 1s 0.000855 -0.002072 -0.000393 0.011427 -0.014389 -0.003868 10H 2s 0.095596 0.227007 -0.027088 0.130385 -0.296820 -0.141617 10H 3s -0.091201 0.210294 -0.120177 -0.045327 -0.325034 -0.163004 10H 1pz 0.014128 0.020891 -0.007449 -0.001306 0.001851 -0.009928 10H 1px 0.001096 -0.001770 0.015236 -0.008878 0.009595 0.014702 10H 1py -0.012138 0.001966 0.016641 -0.015315 -0.004460 0.001997 11H 1s 0.008774 0.013872 0.003899 0.006619 -0.006994 -0.000636 11H 2s 0.434734 0.393524 0.055931 0.208237 -0.126783 0.152793 11H 3s 0.463036 0.828962 0.134138 -0.051461 0.209677 0.364061 11H 1pz 0.021763 0.013523 -0.010261 0.016473 -0.007581 0.000154 11H 1px 0.024555 0.007702 0.005724 0.004321 0.003124 0.006427 11H 1py -0.010604 -0.018915 0.017781 -0.008102 -0.014737 -0.005012 12H 1s -0.004033 0.001830 0.009741 0.001752 -0.023239 0.001439 12H 2s 0.025830 -0.037217 0.562751 -0.065651 -0.305242 0.194616 12H 3s -0.118399 0.172940 0.753214 -0.284532 -0.403705 0.310580 12H 1pz 0.008198 0.015044 -0.010739 0.005350 0.009842 -0.003194 12H 1px -0.001668 -0.001390 0.018895 -0.000374 -0.006409 0.016410 12H 1py -0.004508 -0.017536 0.042047 -0.013223 -0.007072 0.005523 13H 1s 0.011132 -0.013282 0.007796 -0.002572 -0.005506 -0.011906 13H 2s 0.346692 -0.161990 -0.072586 -0.407137 -0.240086 -0.101046 13H 3s 0.425623 -0.166465 -0.130838 -0.377293 -0.191533 -0.277476 13H 1pz 0.011766 -0.001431 0.000635 -0.007337 -0.000750 -0.003937 13H 1px -0.002857 0.015115 0.013539 0.017516 -0.004238 0.003396 13H 1py -0.012282 -0.000842 0.015711 0.029887 0.003573 -0.007629 14H 1s 0.010340 0.000796 0.007040 -0.010130 -0.012950 -0.013526 14H 2s 0.319274 0.115426 0.290128 0.093491 -0.222536 -0.089153 14H 3s 0.411991 0.281284 0.372248 0.030305 -0.338786 -0.185037 14H 1pz 0.009360 0.001390 0.015843 0.022055 0.005050 0.007105 14H 1px 0.006888 0.012775 0.024666 0.029444 -0.004077 -0.001536 14H 1py -0.013569 0.001484 0.010572 0.006254 0.010843 -0.001598 15H 1s 0.016684 -0.004110 -0.003073 -0.019484 -0.017990 0.000754 15H 2s 0.467893 0.039268 -0.225329 -0.539519 -0.385437 -0.046566 15H 3s 0.533723 0.409060 -0.273042 -0.712635 -0.754912 0.203095 15H 1pz -0.008120 -0.005397 0.015726 0.017434 0.014000 -0.010061 15H 1px 0.001270 0.007695 0.008055 0.010186 0.001709 0.004836 15H 1py -0.016308 0.002853 0.019492 0.023741 -0.002942 0.009407 16H 1s 0.011734 0.005075 0.006917 0.010793 0.014051 0.014700 16H 2s -0.069335 0.094038 0.024187 -0.128800 -0.111368 -0.247683 16H 3s -0.397253 0.175016 -0.063257 -0.511076 -0.237301 -0.738414 16H 1pz -0.013843 -0.000837 0.003386 -0.007803 -0.006500 -0.035428 16H 1px 0.003825 -0.000790 0.011390 0.012417 0.024889 0.018910 16H 1py -0.003136 0.012213 -0.010730 -0.015879 -0.014665 0.003674 17H 1s 0.014199 -0.007614 0.009841 -0.011378 0.019583 -0.008283 17H 2s 0.067118 0.197781 -0.124799 -0.094888 -0.155539 0.205856 17H 3s 0.101561 0.492383 -0.358493 -0.026230 -0.451305 0.441520 17H 1pz -0.011289 -0.000590 -0.001329 0.000257 -0.006852 -0.017154 17H 1px 0.007362 -0.018956 0.020011 0.001904 0.030290 -0.029389 17H 1py 0.003126 0.013808 -0.011305 -0.006379 -0.018834 -0.004485 18H 1s -0.015757 0.005292 -0.007012 -0.013526 -0.019626 0.008810 18H 2s 0.100938 0.190832 0.125850 -0.060842 0.147034 -0.207250 18H 3s 0.311643 0.420078 0.316279 0.066888 0.426507 -0.443288 18H 1pz -0.007617 0.009694 -0.002281 -0.000387 -0.006762 -0.016616 18H 1px 0.019473 0.008201 0.018901 0.003079 0.030198 -0.030067 18H 1py -0.008593 -0.011986 -0.011872 0.003374 -0.018372 -0.004363 19H 1s -0.003354 0.011285 -0.009223 0.008715 -0.014342 -0.014527 19H 2s 0.124954 0.008158 0.018559 -0.139049 0.119480 0.243278 19H 3s 0.420805 -0.172881 0.214257 -0.503272 0.264893 0.726010 19H 1pz -0.008705 0.011595 0.000354 0.008957 -0.006991 -0.035441 19H 1px 0.003187 -0.001785 0.014027 -0.009429 0.025075 0.018606 19H 1py -0.011302 -0.006620 -0.014286 0.013064 -0.014914 0.004013 20H 1s -0.014256 0.010923 0.007077 -0.017444 0.018154 -0.000930 20H 2s -0.273366 0.403758 0.335349 -0.451356 0.393113 0.039278 20H 3s -0.024216 0.695028 0.424979 -0.612209 0.759588 -0.210591 20H 1pz -0.001313 0.010694 0.019476 -0.013079 0.014452 -0.009955 20H 1px -0.005668 -0.005702 0.009870 -0.007884 0.001992 0.004721 20H 1py -0.012705 0.011605 0.024592 -0.017838 -0.002148 0.009045 21H 1s -0.006453 0.008600 -0.005085 -0.011119 0.012714 0.012991 21H 2s -0.109816 0.311386 -0.314704 0.032484 0.215021 0.085591 21H 3s -0.031996 0.466875 -0.376609 -0.045457 0.332706 0.169642 21H 1pz 0.004053 -0.007469 0.020909 -0.018176 0.005603 0.006505 21H 1px -0.006367 -0.012045 0.030890 -0.022793 -0.003650 -0.001707 21H 1py -0.009483 0.010174 0.011959 -0.003144 0.011369 -0.001305 22H 1s -0.017464 0.000152 -0.007142 -0.003654 0.005553 0.011732 22H 2s -0.349673 0.178383 0.156051 -0.359437 0.243986 0.098182 22H 3s -0.402399 0.234813 0.204803 -0.319714 0.188305 0.274101 22H 1pz 0.008523 -0.008169 -0.000441 0.006688 -0.000734 -0.004065 22H 1px -0.013848 -0.006193 0.016889 -0.013314 -0.003902 0.003564 22H 1py -0.007637 0.010895 0.022273 -0.024934 0.003864 -0.007683 23H 1s 0.003050 -0.001209 -0.009870 -0.000600 0.022807 -0.001127 23H 2s -0.058890 -0.006356 -0.523421 -0.183495 0.302575 -0.199144 23H 3s 0.179375 0.026313 -0.664520 -0.449097 0.397990 -0.316265 23H 1pz -0.006825 -0.015473 -0.008586 -0.007078 0.009874 -0.003603 23H 1px -0.000458 0.002118 0.016956 0.003596 -0.006038 0.016426 23H 1py 0.011180 0.015675 0.037061 0.021893 -0.007445 0.006628 24H 1s 0.004548 0.015914 -0.005673 0.005260 0.006711 0.001220 24H 2s 0.026880 0.586280 -0.111106 0.197178 0.112013 -0.141357 24H 3s 0.330130 0.892188 -0.140517 -0.087433 -0.222189 -0.352119 24H 1pz 0.002448 -0.024934 -0.005615 -0.019015 -0.006923 -0.000205 24H 1px 0.009137 -0.024586 0.006202 -0.004342 0.004257 0.006511 24H 1py 0.008402 0.019943 0.015034 0.011751 -0.014983 -0.004346 25H 1s -0.002156 -0.000903 -0.002303 0.011044 0.014416 0.004430 25H 2s 0.101936 0.216158 -0.019990 0.119069 0.298243 0.150978 25H 3s 0.203179 0.069577 0.101467 -0.039324 0.326949 0.166036 25H 1pz -0.006196 -0.024502 -0.006327 0.000078 0.002014 -0.010152 25H 1px 0.002164 -0.000625 0.011683 0.010982 0.010184 0.014864 25H 1py -0.008107 0.008209 0.012751 0.019204 -0.004645 0.002578 26O 1s 0.006388 0.004864 0.004959 -0.000608 -0.002783 0.006684 26O 2s 0.014090 0.010774 0.011083 -0.001537 -0.005717 0.013805 26O 3s 0.002393 -0.000945 -0.003097 0.009439 -0.010997 0.018238 26O 4s -0.193132 -0.134279 -0.181486 -0.033244 0.098158 -0.365507 26O 5s -0.015512 0.092008 1.197806 -0.377271 0.391139 1.125233 26O 1pz 0.011680 0.084066 -0.034778 0.016970 0.027757 0.050115 26O 1px -0.041110 -0.025359 0.002167 0.035110 0.024410 -0.010135 26O 1py 0.051070 -0.043349 0.078245 -0.021742 -0.003913 0.002073 26O 2pz 0.030523 0.228112 -0.122533 0.053115 0.070255 0.143242 26O 2px -0.100640 -0.038581 -0.083208 0.112471 -0.006839 -0.082589 26O 2py 0.132668 -0.106893 0.190288 -0.062611 0.026118 -0.034468 26O 3pz -0.105379 -0.876018 0.273355 -0.109687 -0.231172 -0.667599 26O 3px 0.655322 0.130112 -0.346519 0.185309 -0.091302 0.030787 26O 3py -0.551167 0.240633 -0.847157 0.560193 -0.504544 0.100737 26O 1dz2 -0.001727 0.002400 0.002316 -0.001519 0.000474 0.000957 26O 1dxz -0.003498 -0.003408 -0.000692 -0.001450 0.000362 -0.006901 26O 1dyz 0.000015 -0.000109 0.000374 -0.002308 0.000380 -0.003995 26O 1dx2y2 0.004210 0.001143 0.001153 0.001570 0.001979 -0.000555 26O 1dxy -0.004073 0.000452 -0.005524 0.003239 -0.003777 -0.001881 26O 2dz2 0.035317 0.028787 -0.047087 0.033780 -0.006618 -0.001095 26O 2dxz 0.008204 0.019488 -0.005253 0.001012 0.008703 0.011220 26O 2dyz 0.000317 -0.001514 0.040038 -0.022868 0.013325 -0.002292 26O 2dx2y2 -0.007953 0.003963 -0.015587 0.002029 0.006652 -0.000433 26O 2dxy -0.000281 0.002219 0.007349 -0.009716 0.018989 0.001826 26O 1f0 0.000763 0.001253 0.000916 0.000688 -0.001170 0.001293 26O 1f+1 -0.002039 -0.000395 0.000067 -0.001316 0.001927 0.001039 26O 1f-1 0.000085 -0.000823 0.000744 -0.000824 0.000159 -0.000841 26O 1f+2 -0.001114 -0.000423 -0.000497 -0.000228 0.000918 -0.000755 26O 1f-2 -0.000241 -0.000668 -0.001585 0.000048 0.000805 -0.000870 26O 1f+3 -0.002316 -0.000176 -0.001711 0.000356 0.000511 0.000032 26O 1f-3 -0.000284 0.000100 0.000641 -0.000815 0.002423 0.000478 27O 1s 0.003499 0.001633 -0.000561 -0.005585 -0.007942 -0.000778 27O 2s 0.007864 0.002304 -0.000388 -0.013663 -0.016194 -0.002267 27O 3s 0.001997 0.025894 -0.015984 0.030468 -0.021778 0.004902 27O 4s -0.112977 -0.156114 0.145158 0.044935 0.417492 -0.038129 27O 5s 0.232309 -0.164982 -0.818875 -0.211577 -1.387071 0.629720 27O 1pz -0.016028 0.068418 0.023950 0.034056 0.031451 0.023448 27O 1px 0.001155 -0.016814 -0.001461 0.046473 0.000566 0.045157 27O 1py -0.028403 -0.035219 0.040719 0.031024 0.065410 -0.000657 27O 2pz -0.020780 0.173620 0.052150 0.066324 0.095280 0.098140 27O 2px 0.040732 -0.017024 0.022983 0.157329 0.133501 -0.004504 27O 2py -0.063109 -0.086507 0.124502 0.130726 0.115970 0.079762 27O 3pz -0.096406 -0.604800 0.068348 0.014001 -0.410590 -0.451829 27O 3px -0.157905 0.816806 0.282774 0.478349 0.214450 -0.442294 27O 3py 0.202287 0.123001 -0.520843 -1.038352 -0.403882 -0.476064 27O 1dz2 0.000736 -0.001638 -0.003362 -0.004096 -0.001494 0.004359 27O 1dxz -0.001598 -0.004863 0.000180 -0.000912 0.001167 -0.004234 27O 1dyz -0.001883 -0.000610 0.001777 0.001899 -0.001931 0.001818 27O 1dx2y2 -0.001265 0.004764 0.002066 0.009037 0.004139 -0.003638 27O 1dxy 0.001611 0.001500 -0.005182 -0.006298 -0.006539 -0.000467 27O 2dz2 0.003908 0.029123 0.038517 0.047192 0.006449 0.003634 27O 2dxz 0.007282 0.015642 0.003934 0.008774 -0.002045 0.010644 27O 2dyz -0.028182 -0.009595 0.002555 -0.007840 -0.015593 -0.002655 27O 2dx2y2 -0.015166 -0.022353 0.029164 0.015944 -0.011479 0.025766 27O 2dxy -0.000334 -0.001665 0.002130 0.006493 0.011097 -0.014645 27O 1f0 0.000362 0.001353 -0.000282 0.000244 -0.000997 0.000419 27O 1f+1 -0.001708 -0.000743 -0.000350 -0.001366 -0.000829 0.001500 27O 1f-1 -0.000571 0.000351 0.000075 -0.000034 0.000220 -0.000167 27O 1f+2 -0.002058 -0.000402 -0.000487 0.000088 0.000103 -0.000480 27O 1f-2 0.000919 0.000096 -0.000580 -0.000317 0.000264 -0.000410 27O 1f+3 -0.003320 -0.000630 0.001280 0.001047 -0.000253 0.002118 27O 1f-3 -0.000681 0.000446 -0.000200 0.001241 0.002244 -0.000007 28O 1s 0.002148 0.005636 0.002883 0.002116 0.005623 0.000959 28O 2s 0.004846 0.013152 0.006480 0.006399 0.011700 0.001162 28O 3s -0.002378 -0.013948 -0.002198 -0.038602 0.009241 0.010919 28O 4s -0.022426 -0.022776 -0.099759 0.077222 -0.285625 -0.135013 28O 5s -0.344664 -0.881141 0.485754 0.429554 1.247389 0.806879 28O 1pz -0.058296 -0.001404 0.048550 -0.057422 0.027182 0.057026 28O 1px -0.015091 0.046753 0.017803 -0.020697 -0.019294 0.002068 28O 1py 0.135146 0.029895 -0.054764 -0.017707 0.043044 -0.012638 28O 2pz -0.140750 -0.000929 0.103108 -0.149357 -0.105402 0.059125 28O 2px -0.059214 0.055621 0.057924 0.012047 0.038284 0.124155 28O 2py 0.361534 0.091751 -0.125809 -0.002331 0.112189 -0.077315 28O 3pz 0.374708 0.206771 -0.502753 -0.672195 0.253857 -0.611148 28O 3px 0.041968 -0.571304 0.163579 0.765951 0.393656 0.055341 28O 3py -1.341837 -0.219517 0.121196 -0.211108 -0.324397 0.260726 28O 1dz2 -0.000558 -0.000380 -0.002877 0.000023 -0.001524 -0.003709 28O 1dxz 0.001605 -0.002968 0.003177 0.009058 -0.000324 0.008545 28O 1dyz -0.002251 0.002004 -0.000475 0.000742 -0.002080 -0.003163 28O 1dx2y2 -0.001590 0.003904 -0.001613 -0.005271 -0.001779 -0.001268 28O 1dxy 0.007036 -0.000479 0.002393 -0.001580 0.001165 0.000497 28O 2dz2 -0.014755 -0.018411 0.024929 -0.011900 -0.016163 0.022144 28O 2dxz 0.009124 -0.002517 0.009603 -0.033543 -0.051856 -0.007095 28O 2dyz 0.018493 0.000027 0.013941 0.003397 -0.000398 -0.002553 28O 2dx2y2 -0.023606 -0.027869 0.020036 0.018995 -0.006583 0.009683 28O 2dxy 0.001390 -0.003630 0.003774 -0.001093 -0.015086 -0.008572 28O 1f0 -0.001708 -0.000422 -0.001036 0.000132 0.002562 0.000549 28O 1f+1 -0.000811 0.000779 0.000034 0.001638 0.001760 0.000936 28O 1f-1 -0.000461 0.000400 0.000309 -0.000401 -0.000940 0.000061 28O 1f+2 0.001953 0.000844 0.000975 -0.002484 -0.002896 -0.000933 28O 1f-2 0.001363 0.000011 0.001190 -0.000017 -0.000810 -0.000001 28O 1f+3 0.001400 0.001500 0.000584 -0.001016 -0.001826 -0.000334 28O 1f-3 0.000674 -0.000247 -0.000236 -0.000526 0.000849 0.000451 29O 1s 0.001796 -0.001029 0.000359 0.000225 0.006294 0.000428 29O 2s 0.003341 -0.003222 0.000892 0.001076 0.014318 0.000899 29O 3s 0.011984 0.016984 -0.002284 -0.010227 -0.005120 0.001043 29O 4s -0.138440 -0.005920 -0.028631 0.006056 -0.259477 -0.032928 29O 5s 0.404720 -0.213826 0.227910 0.182396 0.829112 0.157664 29O 1pz 0.053991 0.023795 -0.007721 0.026036 0.000850 0.109558 29O 1px -0.038108 0.005216 -0.047092 -0.004685 -0.019885 0.016009 29O 1py 0.005719 -0.045030 0.029413 0.042340 0.051721 0.002009 29O 2pz 0.117599 0.050916 -0.026688 0.088330 0.006285 0.256089 29O 2px -0.069884 0.038565 -0.103509 -0.021393 -0.050641 0.036770 29O 2py 0.028535 -0.121928 0.073132 0.090609 0.123212 0.010053 29O 3pz -0.433877 -0.187738 0.227762 -0.478334 -0.010517 -1.215567 29O 3px 0.092315 -0.390144 0.397971 0.163975 0.236738 -0.247531 29O 3py -0.155719 0.550138 -0.258050 -0.329676 -0.535270 -0.028382 29O 1dz2 -0.001477 0.001134 -0.000204 -0.001113 -0.001342 -0.004113 29O 1dxz 0.001284 0.002259 -0.001333 -0.002133 -0.001668 0.002560 29O 1dyz -0.002516 -0.001468 0.001611 -0.001693 0.000007 -0.007256 29O 1dx2y2 0.000312 -0.002261 0.000638 0.000938 0.000857 0.001019 29O 1dxy -0.000411 -0.002002 0.002800 0.001793 0.002529 -0.002255 29O 2dz2 0.009622 0.012168 -0.006484 0.009043 -0.007567 0.042609 29O 2dxz -0.012497 -0.014619 0.007801 -0.016617 -0.003441 -0.054738 29O 2dyz 0.009675 -0.003850 0.004520 0.012783 0.013756 0.010863 29O 2dx2y2 0.007104 0.004277 0.006928 -0.008229 0.014427 -0.016425 29O 2dxy -0.015754 0.026702 -0.032737 -0.012342 -0.047197 -0.000649 29O 1f0 -0.000381 0.000702 -0.000636 -0.000756 -0.001663 -0.000282 29O 1f+1 -0.000366 -0.000544 0.000137 -0.000065 0.001048 -0.001618 29O 1f-1 -0.001313 0.000665 -0.000829 -0.001162 -0.001826 -0.001807 29O 1f+2 0.000558 0.000122 -0.000024 0.000362 0.000746 0.001855 29O 1f-2 -0.000186 0.001201 -0.001508 0.000177 -0.002037 0.001432 29O 1f+3 0.000190 -0.000481 0.000474 -0.000206 0.001526 -0.000885 29O 1f-3 -0.000023 -0.000494 -0.000400 -0.000362 0.000178 -0.000706 30O 1s 0.003291 0.006619 -0.004457 -0.005233 -0.000676 0.004376 30O 2s 0.008189 0.015936 -0.009859 -0.011808 -0.001747 0.009003 30O 3s -0.016916 -0.030878 0.002421 -0.001475 0.006230 0.014402 30O 4s 0.028382 -0.013659 0.161978 0.091055 0.025149 -0.258992 30O 5s -0.383421 -0.292325 -0.819750 1.205446 -0.283819 0.720306 30O 1pz -0.025066 -0.019957 -0.097889 -0.061187 0.045513 0.032199 30O 1px 0.001465 0.031372 0.007467 -0.036951 -0.000606 0.033966 30O 1py 0.013322 -0.026817 -0.040694 -0.016563 0.052782 -0.005371 30O 2pz -0.002983 -0.077903 -0.171944 -0.225047 0.107002 0.136761 30O 2px -0.039373 0.128464 -0.043143 -0.043749 -0.043460 0.119389 30O 2py 0.019896 -0.042982 -0.174916 -0.019882 0.156313 0.017936 30O 3pz -0.223010 -0.069382 0.587764 0.097984 -0.169956 -0.701110 30O 3px 0.199851 -0.375752 -0.244925 1.023765 0.016559 -0.465237 30O 3py 0.138003 0.418902 0.426500 0.489691 -0.910692 -0.045143 30O 1dz2 -0.000595 -0.000809 0.001420 0.002711 -0.002634 -0.001565 30O 1dxz 0.002336 0.001179 -0.002336 0.004897 -0.000145 0.003291 30O 1dyz -0.000287 -0.000290 -0.003219 0.001950 -0.004172 0.001704 30O 1dx2y2 -0.001291 0.000698 -0.000804 -0.004207 -0.003260 0.003986 30O 1dxy -0.002761 -0.001763 -0.000030 -0.002474 0.006923 0.000557 30O 2dz2 0.006550 0.000795 -0.014036 -0.036656 0.002808 0.016212 30O 2dxz 0.014435 -0.011909 0.002402 -0.039667 -0.005347 0.009519 30O 2dyz -0.018022 0.003085 0.022485 -0.012946 0.013636 -0.014108 30O 2dx2y2 0.015953 -0.007146 -0.008037 -0.009772 0.010312 0.011023 30O 2dxy -0.011382 0.016498 -0.019531 0.024948 0.004267 0.002299 30O 1f0 -0.002587 0.001020 0.000187 0.001854 0.000407 0.001086 30O 1f+1 -0.000723 0.001013 -0.000769 -0.000249 0.001703 0.000418 30O 1f-1 0.000525 0.000479 -0.000085 0.000389 -0.000138 0.000276 30O 1f+2 0.001222 -0.000240 0.000283 -0.002411 -0.001184 0.000425 30O 1f-2 0.000815 -0.001415 0.001511 -0.001507 0.000108 0.000182 30O 1f+3 0.001147 0.000508 -0.001239 -0.001141 -0.001692 -0.000607 30O 1f-3 0.002852 -0.000860 0.000702 -0.002328 0.000673 -0.000591 31O 1s 0.002802 0.006820 0.005171 -0.003925 0.000585 -0.004445 31O 2s 0.006562 0.016647 0.011361 -0.008924 0.001514 -0.009152 31O 3s -0.012114 -0.033306 0.000716 -0.001561 -0.005608 -0.014442 31O 4s -0.026944 0.013097 -0.180171 0.045001 -0.023464 0.259281 31O 5s 0.046009 -0.481788 0.528850 1.374409 0.263690 -0.687588 31O 1pz -0.000771 0.027080 -0.110905 0.037209 0.044638 0.031319 31O 1px -0.026164 -0.020459 -0.003857 0.036991 -0.002675 0.034239 31O 1py 0.030128 0.003420 -0.042078 0.006660 0.052777 -0.004993 31O 2pz 0.058482 0.037992 -0.223494 0.177262 0.103338 0.135033 31O 2px -0.128660 -0.052955 -0.052524 0.032733 -0.045056 0.118871 31O 2py 0.048054 0.005078 -0.173071 -0.020841 0.155764 0.019474 31O 3pz -0.082870 0.262019 0.571252 0.050910 -0.176628 -0.678564 31O 3px 0.416128 0.096626 0.009362 -1.052542 0.031238 -0.473747 31O 3py -0.240258 -0.369310 0.570244 -0.383260 -0.894675 -0.062851 31O 1dz2 -0.000238 -0.001052 -0.002014 0.002315 0.002649 0.001563 31O 1dxz -0.000464 0.002717 0.000833 0.005332 -0.000038 -0.003169 31O 1dyz -0.000014 -0.000277 0.002538 0.002686 0.004097 -0.001695 31O 1dx2y2 0.001449 -0.000464 0.001876 -0.003768 0.003340 -0.003953 31O 1dxy 0.000387 -0.003382 0.000942 -0.002512 -0.006842 -0.000601 31O 2dz2 -0.003999 0.006395 0.022624 -0.031986 -0.002060 -0.016863 31O 2dxz -0.018620 0.004981 0.007309 -0.038398 0.006087 -0.009862 31O 2dyz 0.013118 -0.013269 -0.018898 -0.018614 -0.013691 0.013540 31O 2dx2y2 -0.016845 0.008579 0.009278 -0.007290 -0.010182 -0.011275 31O 2dxy 0.019952 0.001214 0.013012 0.027875 -0.004302 -0.001948 31O 1f0 -0.002409 0.001399 0.000640 -0.001672 0.000448 0.001035 31O 1f+1 -0.001236 -0.000062 -0.000802 0.000120 0.001729 0.000436 31O 1f-1 -0.000067 -0.000730 0.000058 -0.000399 -0.000104 0.000232 31O 1f+2 0.000970 -0.000841 -0.000247 0.002314 -0.001206 0.000406 31O 1f-2 0.001563 0.000301 0.001025 0.001756 0.000057 0.000214 31O 1f+3 0.000320 -0.001247 -0.001417 0.000746 -0.001681 -0.000600 31O 1f-3 0.002484 -0.001681 0.000176 0.002319 0.000671 -0.000537 32O 1s -0.001929 0.000253 -0.000320 -0.000000 -0.006307 -0.000350 32O 2s -0.004613 -0.000517 -0.000910 0.000537 -0.014346 -0.000722 32O 3s 0.005652 0.019764 0.004100 -0.009432 0.005131 -0.001136 32O 4s 0.083430 -0.089479 0.025785 0.016292 0.260113 0.029440 32O 5s -0.429519 0.118776 -0.263213 0.126337 -0.832158 -0.144748 32O 1pz 0.020582 -0.057987 0.004435 -0.029345 0.003987 0.108637 32O 1px -0.028891 0.023964 -0.046228 -0.005492 -0.019256 0.015934 32O 1py 0.040559 0.025605 0.037656 -0.035902 0.051097 0.003618 32O 2pz 0.044923 -0.125283 0.007706 -0.097485 0.013747 0.253472 32O 2px -0.077479 0.024583 -0.103761 -0.000264 -0.048870 0.035753 32O 2py 0.117410 0.058215 0.089941 -0.075221 0.121873 0.013732 32O 3pz -0.163548 0.468419 0.049858 0.542019 -0.044498 -1.204167 32O 3px 0.368632 0.198954 0.405024 -0.076686 0.225888 -0.243276 32O 3py -0.536955 -0.243562 -0.312494 0.280086 -0.529629 -0.049460 32O 1dz2 0.002011 -0.000270 0.000735 -0.001088 0.001499 0.003740 32O 1dxz 0.000752 0.002623 0.001598 -0.001696 0.001571 -0.002701 32O 1dyz 0.000821 -0.003017 -0.000691 -0.002247 0.000307 0.007300 32O 1dx2y2 -0.002049 -0.001135 -0.000805 0.000871 -0.000855 -0.001174 32O 1dxy -0.001244 -0.001713 -0.002930 0.001084 -0.002400 0.002198 32O 2dz2 0.003296 0.015673 0.003002 0.010288 0.006938 -0.042005 32O 2dxz -0.003259 -0.019506 -0.002371 -0.019244 0.003564 0.055096 32O 2dyz -0.009267 0.005159 -0.008074 0.011691 -0.014070 -0.011056 32O 2dx2y2 -0.002167 0.007695 -0.004901 -0.009526 -0.014627 0.016164 32O 2dxy 0.030794 0.006384 0.033788 -0.004869 0.047130 0.000717 32O 1f0 -0.000663 -0.000314 -0.000716 0.000534 -0.001556 -0.000140 32O 1f+1 0.000226 0.000722 0.000141 0.000149 0.001138 -0.001683 32O 1f-1 -0.001367 0.000480 -0.001157 0.000998 -0.001937 -0.001708 32O 1f+2 0.000334 -0.000482 0.000166 -0.000392 0.000873 0.001870 32O 1f-2 -0.001047 -0.000740 -0.001357 -0.000568 -0.002013 0.001533 32O 1f+3 0.000464 0.000196 0.000329 0.000316 0.001472 -0.000832 32O 1f-3 0.000386 0.000357 -0.000492 0.000255 0.000166 -0.000748 33O 1s 0.002895 0.005114 -0.003438 0.001237 -0.005849 -0.000936 33O 2s 0.006963 0.011803 -0.008075 0.004369 -0.012254 -0.001105 33O 3s -0.011476 -0.009966 0.010430 -0.036854 -0.008116 -0.011099 33O 4s 0.007639 -0.029893 0.082474 0.101036 0.285501 0.135584 33O 5s -0.450670 -0.862307 -0.550216 0.311131 -1.238652 -0.819127 33O 1pz -0.032689 0.046959 0.032919 0.067261 0.026027 0.058424 33O 1px -0.043238 -0.019365 0.015567 0.025650 -0.017946 0.001785 33O 1py 0.063643 -0.125139 -0.053080 0.002536 0.044485 -0.011298 33O 2pz -0.081094 0.106469 0.063914 0.169888 -0.109327 0.062439 33O 2px -0.081256 0.011944 0.059820 0.002219 0.041037 0.124310 33O 2py 0.158438 -0.341806 -0.112370 -0.031212 0.115553 -0.075246 33O 3pz 0.127508 -0.446137 -0.606106 0.549372 0.259355 -0.620567 33O 3px 0.434182 0.363883 0.311512 -0.718188 0.390320 0.054715 33O 3py -0.662629 1.175201 0.049119 0.262430 -0.333790 0.250830 33O 1dz2 0.000055 -0.000547 0.002751 0.000672 0.001514 0.003638 33O 1dxz -0.002541 -0.001104 -0.004709 0.008399 0.000367 -0.008515 33O 1dyz 0.002988 -0.000447 0.000191 0.000686 0.002017 0.003232 33O 1dx2y2 0.003612 0.001563 0.002490 -0.004955 0.001720 0.001236 33O 1dxy -0.004815 0.005064 -0.001954 -0.001832 -0.001143 -0.000642 33O 2dz2 -0.005133 -0.023337 -0.020679 -0.016529 0.016653 -0.022670 33O 2dxz -0.008561 0.006362 -0.001240 -0.034011 0.052997 0.007312 33O 2dyz -0.011189 0.013821 -0.014674 0.000432 0.000271 0.002353 33O 2dx2y2 -0.005371 -0.037118 -0.022014 0.014483 0.006800 -0.009590 33O 2dxy -0.002994 -0.001225 -0.002780 -0.001807 0.015739 0.008341 33O 1f0 -0.000762 0.001563 -0.000988 -0.000317 0.002572 0.000567 33O 1f+1 -0.001116 0.000188 0.000430 -0.001517 0.001814 0.000925 33O 1f-1 -0.000562 0.000098 0.000229 0.000506 -0.000928 0.000027 33O 1f+2 0.000664 -0.002045 0.000395 0.002589 -0.002948 -0.000930 33O 1f-2 0.000854 -0.001034 0.001144 0.000234 -0.000797 0.000023 33O 1f+3 -0.000203 -0.002034 0.000412 0.001128 -0.001837 -0.000341 33O 1f-3 0.000672 -0.000388 -0.000311 0.000425 0.000882 0.000472 34O 1s -0.000866 0.004064 0.001815 -0.005187 0.008135 0.000679 34O 2s -0.003103 0.008241 0.003495 -0.012914 0.016649 0.002009 34O 3s 0.020761 0.018157 0.008255 0.032670 0.021207 -0.004137 34O 4s -0.058796 -0.199816 -0.148746 0.008932 -0.420894 0.038754 34O 5s -0.275088 0.107740 0.856527 0.012489 1.403047 -0.637743 34O 1pz -0.066378 -0.028741 0.030661 -0.026598 0.032221 0.023251 34O 1px 0.014947 0.009819 0.011400 -0.046527 0.002286 0.043871 34O 1py 0.010236 0.045872 0.046990 -0.019496 0.067438 -0.001737 34O 2pz -0.153273 -0.088448 0.067196 -0.050729 0.098250 0.098912 34O 2px 0.038052 -0.016163 0.061867 -0.147454 0.138147 -0.007327 34O 2py 0.025917 0.107568 0.150526 -0.097125 0.121314 0.075048 34O 3pz 0.418167 0.452595 0.056715 0.001450 -0.418072 -0.458764 34O 3px -0.772378 -0.385336 0.390263 -0.369159 0.214498 -0.453656 34O 3py 0.069717 -0.250067 -0.736741 0.881450 -0.426162 -0.439536 34O 1dz2 -0.001943 -0.000250 0.004088 -0.003102 0.001461 -0.004431 34O 1dxz -0.002961 -0.004410 0.000111 -0.001012 -0.001153 0.004166 34O 1dyz 0.000770 -0.001827 -0.002147 0.001422 0.001884 -0.001759 34O 1dx2y2 0.004891 0.001834 -0.004004 0.008078 -0.004122 0.003737 34O 1dxy -0.000075 0.002457 0.006285 -0.004782 0.006599 0.000244 34O 2dz2 0.021872 0.019292 -0.049433 0.036366 -0.008258 -0.002927 34O 2dxz 0.008263 0.015048 -0.006007 0.008024 0.001898 -0.010873 34O 2dyz 0.010641 -0.026886 0.000313 -0.009014 0.016381 0.002698 34O 2dx2y2 -0.008089 -0.026928 -0.031178 0.009086 0.011203 -0.025579 34O 2dxy -0.001132 -0.001151 -0.004412 0.005217 -0.011679 0.014689 34O 1f0 -0.000901 -0.001176 -0.000206 -0.000304 -0.001009 0.000420 34O 1f+1 -0.000417 0.001733 -0.000717 0.001239 -0.000890 0.001548 34O 1f-1 -0.000635 0.000212 0.000050 0.000097 0.000216 -0.000180 34O 1f+2 -0.000933 0.001882 -0.000495 -0.000108 0.000083 -0.000468 34O 1f-2 0.000545 -0.000793 -0.000584 0.000162 0.000283 -0.000406 34O 1f+3 -0.001564 0.002998 0.001380 -0.000650 -0.000278 0.002109 34O 1f-3 -0.000829 0.000268 0.000101 -0.001182 0.002315 -0.000071 35O 1s -0.000200 0.007907 -0.004650 -0.001566 0.002871 -0.006700 35O 2s -0.000368 0.017390 -0.010273 -0.003685 0.005952 -0.013819 35O 3s -0.002616 0.002423 -0.000690 0.010214 0.010103 -0.018525 35O 4s 0.020405 -0.237410 0.189838 0.004030 -0.097607 0.366726 35O 5s 0.014481 0.075285 -1.090264 -0.662465 -0.381569 -1.134776 35O 1pz -0.057635 -0.062693 -0.025261 -0.022996 0.029679 0.049044 35O 1px -0.009738 0.048565 0.007214 -0.031866 0.022557 -0.010593 35O 1py 0.066932 -0.010285 0.070616 0.036065 -0.002952 0.002974 35O 2pz -0.159218 -0.167037 -0.097880 -0.076476 0.074144 0.139937 35O 2px -0.042371 0.104679 -0.058041 -0.125593 -0.007681 -0.084149 35O 2py 0.169390 -0.026618 0.167148 0.096541 0.028604 -0.033439 35O 3pz 0.626825 0.612508 0.234551 0.160900 -0.235657 -0.651372 35O 3px 0.285183 -0.573049 -0.272266 -0.298197 -0.065456 0.034025 35O 3py -0.564224 0.242255 -0.669026 -0.727691 -0.499573 0.095839 35O 1dz2 0.002822 0.000154 -0.001798 -0.002218 -0.000378 -0.000901 35O 1dxz -0.000505 -0.004740 0.001056 -0.001415 -0.000332 0.006854 35O 1dyz -0.000130 -0.000064 0.000220 -0.002379 -0.000361 0.003915 35O 1dx2y2 -0.001637 0.003740 -0.001722 0.001414 -0.002233 0.000560 35O 1dxy 0.003224 -0.002777 0.004544 0.004442 0.003690 0.001890 35O 2dz2 0.001647 0.045403 0.036201 0.044426 0.005645 0.001307 35O 2dxz 0.009146 0.019746 0.003154 0.001864 -0.009128 -0.011216 35O 2dyz -0.003301 -0.002169 -0.033418 -0.031346 -0.013262 0.002042 35O 2dx2y2 0.007743 -0.002522 0.014450 0.004832 -0.006055 0.000387 35O 2dxy 0.000272 0.001998 -0.005453 -0.011900 -0.018895 -0.001898 35O 1f0 -0.000512 -0.001366 0.001057 -0.000495 -0.001167 0.001292 35O 1f+1 -0.000885 0.001711 -0.000247 0.001364 0.001882 0.001065 35O 1f-1 0.000754 0.000452 0.000522 0.000971 0.000130 -0.000833 35O 1f+2 -0.000359 0.001139 -0.000553 0.000158 0.000916 -0.000740 35O 1f-2 0.000393 0.000556 -0.001467 -0.000401 0.000831 -0.000865 35O 1f+3 -0.001301 0.001815 -0.001598 -0.000688 0.000475 0.000040 35O 1f-3 -0.000195 0.000095 0.000415 0.001032 0.002396 0.000443 234 235 236 237 238 239 0.71638 0.72862 0.74404 0.75113 0.75291 0.76763 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s 0.002320 -0.000665 0.000885 0.000529 0.004507 -0.000680 0Rh 2s -0.004649 0.002850 -0.002323 -0.002013 -0.010720 0.001890 0Rh 3s 0.010663 -0.002122 0.003729 0.001847 0.019687 -0.002804 0Rh 4s 0.019160 -0.013048 0.010064 0.009145 0.046028 -0.008227 0Rh 5s 0.021912 0.013678 0.001297 -0.007769 0.017050 -0.000049 0Rh 6s -0.196763 0.014912 -0.064602 -0.017694 -0.319538 0.047212 0Rh 7s 0.956265 -0.036792 0.227325 0.078552 1.931630 -0.161479 0Rh 8s 0.609404 -0.227512 1.396969 0.084879 -0.747434 -0.460438 0Rh 1pz 0.000556 -0.003767 0.001762 -0.000325 -0.002578 -0.000408 0Rh 1px -0.001477 0.000343 -0.014146 0.003018 0.007598 0.003597 0Rh 1py -0.001308 -0.001694 0.000273 -0.009547 0.005572 0.003772 0Rh 2pz -0.001993 0.013043 -0.005331 0.000853 0.008886 0.001578 0Rh 2px 0.004870 -0.001250 0.048574 -0.010361 -0.026227 -0.012274 0Rh 2py 0.004505 0.006438 -0.001120 0.032951 -0.019373 -0.012841 0Rh 3pz 0.003078 -0.011799 -0.010372 0.004736 -0.007333 -0.004741 0Rh 3px 0.000519 0.002751 -0.035840 0.007283 0.022263 0.007533 0Rh 3py -0.003615 -0.017090 0.004298 -0.027195 0.018895 0.006935 0Rh 4pz -0.001501 -0.018575 0.067199 -0.023591 -0.014385 0.011226 0Rh 4px -0.028237 -0.007422 -0.101817 0.025080 0.040635 0.030974 0Rh 4py -0.007965 0.034868 -0.010630 -0.059942 0.022756 0.037508 0Rh 5pz 0.003550 -0.003862 -0.091542 0.041410 -0.016026 -0.027513 0Rh 5px 0.056334 0.038453 0.042827 -0.032444 0.039947 -0.014021 0Rh 5py 0.000201 -0.072362 0.014784 0.028364 0.021889 -0.014949 0Rh 6pz 0.603337 -0.310164 -2.043772 0.586782 1.042736 -0.417398 0Rh 6px -0.610584 -0.158975 -0.353085 0.445933 -2.177551 -0.086514 0Rh 6py -0.336731 -1.500998 0.532528 -0.552953 -0.475865 -1.784495 0Rh 1dz2 0.055076 -0.016395 -0.005644 0.000186 0.006168 -0.015701 0Rh 1dxz 0.008544 -0.000395 0.011277 0.000525 0.007714 0.007308 0Rh 1dyz -0.027991 0.001003 0.006181 -0.002002 0.005233 0.008544 0Rh 1dx2y2 0.031980 -0.003765 -0.004035 -0.008144 -0.019926 -0.005730 0Rh 1dxy 0.004034 0.006859 -0.007404 0.007565 -0.013911 0.003951 0Rh 2dz2 -0.010281 0.002372 0.001312 0.000226 0.000885 0.002794 0Rh 2dxz -0.001127 -0.000676 -0.001921 0.000207 0.001446 -0.001810 0Rh 2dyz 0.005363 -0.003251 -0.001493 0.000253 -0.000019 -0.002442 0Rh 2dx2y2 -0.006729 0.001267 0.000633 0.000955 -0.000891 0.001380 0Rh 2dxy -0.001287 -0.001863 0.001301 -0.002454 0.001103 -0.002139 0Rh 3dz2 -0.066113 0.022679 0.005728 -0.001293 -0.016119 0.019800 0Rh 3dxz -0.012402 0.003712 -0.014220 -0.002027 -0.021615 -0.006967 0Rh 3dyz 0.032995 0.011587 -0.005997 0.002898 -0.010448 -0.006615 0Rh 3dx2y2 -0.035177 0.002097 0.005402 0.012249 0.043679 0.005704 0Rh 3dxy -0.002562 -0.005691 0.009177 -0.004654 0.023169 0.001052 0Rh 4dz2 -0.194553 0.046512 0.024335 0.002987 0.009505 0.051495 0Rh 4dxz -0.023108 -0.010681 -0.039231 0.004253 0.016020 -0.032298 0Rh 4dyz 0.100255 -0.046209 -0.026867 0.005245 -0.003573 -0.046762 0Rh 4dx2y2 -0.123518 0.022899 0.011738 0.019690 0.002936 0.023786 0Rh 4dxy -0.021330 -0.033900 0.025367 -0.042334 0.027210 -0.033783 0Rh 5dz2 0.367760 -0.001471 -0.060999 -0.008203 -0.147998 -0.043639 0Rh 5dxz 0.023620 0.072588 0.117181 -0.048716 -0.187815 0.083259 0Rh 5dyz -0.169264 0.293150 0.083942 0.008155 -0.076762 0.255030 0Rh 5dx2y2 0.234911 -0.078718 -0.018615 0.000759 0.222382 -0.031266 0Rh 5dxy 0.055818 0.150401 -0.055116 0.145764 0.017211 0.183247 0Rh 1f0 -0.004889 -0.007602 0.007023 -0.003414 -0.002328 -0.000134 0Rh 1f+1 -0.002030 0.001619 -0.008912 0.003131 -0.000521 0.000160 0Rh 1f-1 0.003122 -0.008446 -0.003397 0.001507 0.003664 -0.004246 0Rh 1f+2 -0.000634 -0.005957 -0.008742 0.004847 0.005957 -0.000729 0Rh 1f-2 -0.002557 0.012859 -0.001801 0.001465 0.001614 -0.004481 0Rh 1f+3 -0.003554 -0.005883 -0.016276 0.007072 0.005453 0.000815 0Rh 1f-3 -0.003873 -0.012849 -0.006252 -0.001950 -0.003540 0.002386 1Rh 1s -0.002332 -0.000714 0.000627 0.000525 -0.004494 -0.000263 1Rh 2s 0.004706 0.002933 -0.001752 -0.001975 0.010545 0.001713 1Rh 3s -0.010702 -0.002355 0.002576 0.001842 -0.019723 -0.000480 1Rh 4s -0.019418 -0.013383 0.007642 0.008959 -0.045179 -0.008149 1Rh 5s -0.021626 0.013088 -0.000194 -0.007398 -0.018934 0.013867 1Rh 6s 0.196974 0.019029 -0.045503 -0.018275 0.323039 -0.013488 1Rh 7s -0.954687 -0.053206 0.115038 0.076167 -1.944126 -0.023057 1Rh 8s -0.613734 -0.238516 1.431708 0.102611 0.653360 0.101675 1Rh 1pz 0.000666 0.003909 -0.001962 0.000363 -0.002315 0.001391 1Rh 1px -0.001373 -0.000217 0.014622 -0.002851 0.006586 0.000750 1Rh 1py -0.001398 0.001473 -0.000033 0.009667 0.005269 0.003972 1Rh 2pz -0.002386 -0.013526 0.006020 -0.000986 0.008037 -0.004660 1Rh 2px 0.004511 0.000812 -0.050216 0.009788 -0.022772 -0.002454 1Rh 2py 0.004802 -0.005678 0.000281 -0.033367 -0.018318 -0.013540 1Rh 3pz 0.003687 0.012102 0.009749 -0.004563 -0.007804 0.001101 1Rh 3px 0.000861 -0.002273 0.037206 -0.006911 0.020139 -0.000767 1Rh 3py -0.003630 0.016519 -0.003428 0.027556 0.017835 0.007681 1Rh 4pz -0.001966 0.019820 -0.068136 0.023568 -0.008157 0.018882 1Rh 4px -0.027727 0.007692 0.104484 -0.023664 0.031465 0.016848 1Rh 4py -0.009417 -0.036442 0.011393 0.060603 0.021599 0.038589 1Rh 5pz 0.005786 0.002899 0.090247 -0.040326 -0.025223 -0.017632 1Rh 5px 0.056042 -0.036940 -0.040792 0.031624 0.048305 -0.039284 1Rh 5py 0.002033 0.072725 -0.013348 -0.027836 0.021487 -0.018584 1Rh 6pz 0.616067 0.295687 2.104324 -0.643405 0.947122 -0.439067 1Rh 6px -0.605763 0.112524 0.224829 -0.466170 -2.202952 0.350784 1Rh 6py -0.316535 1.546831 -0.546952 0.508623 -0.512603 -1.798643 1Rh 1dz2 -0.055869 -0.015484 -0.005155 -0.000156 -0.005650 0.010855 1Rh 1dxz -0.008802 -0.000403 0.010711 0.000035 -0.008047 -0.012319 1Rh 1dyz 0.028353 0.000506 0.005367 -0.001951 -0.005632 -0.008243 1Rh 1dx2y2 -0.032408 -0.003129 -0.002401 -0.008109 0.019832 0.012577 1Rh 1dxy -0.004110 0.006905 -0.006448 0.007675 0.014019 -0.003760 1Rh 2dz2 0.010426 0.002150 0.001076 0.000270 -0.000957 -0.002200 1Rh 2dxz 0.001170 -0.000726 -0.002021 0.000304 -0.001325 0.002120 1Rh 2dyz -0.005464 -0.003147 -0.001387 0.000251 0.000122 0.002381 1Rh 2dx2y2 0.006834 0.001262 0.000650 0.000987 0.000780 -0.001548 1Rh 2dxy 0.001309 -0.001862 0.001229 -0.002433 -0.001159 0.002638 1Rh 3dz2 0.067079 0.021806 0.005748 -0.000798 0.015383 -0.012581 1Rh 3dxz 0.012739 0.003941 -0.012664 -0.001450 0.021751 0.015771 1Rh 3dyz -0.033291 0.012142 -0.004817 0.002803 0.010814 0.006271 1Rh 3dx2y2 0.035589 0.000844 0.002059 0.012045 -0.043012 -0.018750 1Rh 3dxy 0.002621 -0.005793 0.007568 -0.004960 -0.023141 -0.003579 1Rh 4dz2 0.197288 0.042511 0.020399 0.003941 -0.010912 -0.039875 1Rh 4dxz 0.023856 -0.011450 -0.040302 0.005986 -0.013712 0.039530 1Rh 4dyz -0.101980 -0.044318 -0.024702 0.005235 0.005330 0.045607 1Rh 4dx2y2 0.125393 0.022357 0.010722 0.020150 -0.004608 -0.030384 1Rh 4dxy 0.021683 -0.033836 0.023591 -0.042135 -0.028164 0.041354 1Rh 5dz2 -0.372122 0.008871 -0.045010 -0.009447 0.148164 0.043720 1Rh 5dxz -0.023383 0.076933 0.130115 -0.051742 0.175238 -0.053168 1Rh 5dyz 0.174316 0.288911 0.083496 0.005476 0.072588 -0.258696 1Rh 5dx2y2 -0.239595 -0.084453 -0.033471 -0.002858 -0.209472 -0.023303 1Rh 5dxy -0.056076 0.149188 -0.057265 0.142295 -0.012673 -0.229989 1Rh 1f0 -0.004872 0.007729 -0.007006 0.003379 -0.001422 -0.001620 1Rh 1f+1 -0.002049 -0.001601 0.008929 -0.003100 -0.001566 0.001280 1Rh 1f-1 0.003244 0.008490 0.003591 -0.001580 0.003363 -0.003557 1Rh 1f+2 -0.000543 0.006087 0.009086 -0.004728 0.004631 0.001933 1Rh 1f-2 -0.002565 -0.012852 0.001869 -0.001569 0.001032 -0.003651 1Rh 1f+3 -0.003295 0.006010 0.016656 -0.007069 0.003656 0.004249 1Rh 1f-3 -0.003759 0.012966 0.006142 0.002036 -0.004198 0.001812 2C 1s -0.001925 0.001353 0.001092 0.000408 -0.000949 0.003972 2C 2s -0.005148 0.004779 0.004494 0.001350 -0.002859 0.010396 2C 3s 0.003021 -0.006824 -0.077947 -0.009776 0.014840 0.016655 2C 4s 0.003357 -0.202774 0.255543 0.056898 -0.134185 -0.460053 2C 5s 1.884817 -3.181664 -0.334901 -1.174240 1.639134 -3.351980 2C 1pz -0.008397 -0.043164 -0.026383 -0.016751 0.001371 -0.038229 2C 1px 0.012449 -0.001668 -0.007233 -0.012385 0.012730 0.021166 2C 1py 0.018551 -0.029312 -0.007225 0.019186 0.005950 -0.044741 2C 2pz -0.096373 -0.220609 0.065128 -0.086097 -0.002824 -0.213990 2C 2px 0.088119 0.139368 0.104115 -0.031762 0.070729 0.175796 2C 2py 0.241270 -0.117025 0.070773 0.142168 0.019446 -0.322230 2C 3pz -0.009641 -1.216540 -0.321839 0.058609 0.425844 -1.242032 2C 3px 0.225233 0.653818 0.755016 0.141682 -0.262735 0.162036 2C 3py 0.782763 -0.341736 -0.286884 -0.716200 0.063524 -0.244239 2C 1dz2 0.001181 -0.001709 0.002608 0.004380 0.001686 -0.003530 2C 1dxz -0.002547 -0.001775 -0.000017 0.004198 -0.002143 -0.003355 2C 1dyz 0.000347 -0.004078 -0.000852 -0.003907 0.000500 -0.001633 2C 1dx2y2 -0.002283 -0.004315 -0.000744 0.004305 0.001421 -0.003228 2C 1dxy 0.001780 -0.001300 -0.003121 0.000443 -0.001651 -0.001761 2C 2dz2 -0.032436 -0.166424 -0.051758 0.245984 0.106319 -0.280943 2C 2dxz 0.130476 0.062550 0.138930 -0.029503 -0.094609 -0.060796 2C 2dyz 0.096393 0.086175 0.030661 -0.127855 -0.035104 0.151243 2C 2dx2y2 0.177338 0.207642 0.176494 0.133220 -0.053820 0.021412 2C 2dxy -0.217061 0.043879 0.219680 0.056687 -0.039135 0.059055 2C 1f0 0.011160 -0.000086 -0.001742 0.004773 0.000430 -0.007171 2C 1f+1 -0.003386 0.001211 0.003389 -0.001690 0.002496 0.005152 2C 1f-1 -0.002117 -0.006829 0.001925 -0.000489 -0.000455 -0.008336 2C 1f+2 -0.003267 0.004513 0.000452 0.000833 -0.001383 0.004561 2C 1f-2 0.005802 0.000703 0.007023 0.001118 0.000245 -0.005516 2C 1f+3 0.006967 0.003235 0.000530 0.002746 0.000727 -0.000227 2C 1f-3 0.000152 -0.001450 -0.003646 -0.000481 0.001190 0.001855 3C 1s -0.002169 -0.001375 0.000775 0.000188 -0.000195 -0.002069 3C 2s -0.006570 -0.005062 0.003430 0.000392 -0.000552 -0.006501 3C 3s 0.028583 0.041963 -0.072697 -0.010845 0.016029 0.051685 3C 4s -0.042019 0.008250 0.279750 0.154819 -0.232774 -0.105661 3C 5s 1.964564 3.441209 0.294210 -0.817585 1.877315 3.301826 3C 1pz 0.010075 0.023568 0.004898 0.027837 -0.009630 0.030451 3C 1px -0.006511 0.012246 -0.007127 0.008236 0.018717 0.005690 3C 1py -0.025377 -0.043324 0.020262 0.008476 0.009927 -0.042375 3C 2pz -0.021010 0.166134 0.114629 0.188946 -0.072548 0.054664 3C 2px -0.200339 -0.025332 0.164355 -0.025398 0.150758 -0.070056 3C 2py -0.175209 -0.083229 -0.054395 0.023919 0.064121 -0.063427 3C 3pz 0.254236 1.077736 -0.459950 -0.445199 0.202743 1.225915 3C 3px -0.577713 -0.208997 0.764775 -0.623170 0.099526 0.064018 3C 3py -0.657025 -0.825621 0.112499 -0.304631 -0.342317 -0.552819 3C 1dz2 0.001145 -0.003201 -0.001477 -0.004889 0.001051 0.001578 3C 1dxz -0.004392 0.000064 0.000778 -0.003828 -0.001760 0.002230 3C 1dyz -0.002006 -0.003625 0.000359 0.003202 -0.001732 -0.003898 3C 1dx2y2 -0.000082 0.002265 -0.003290 -0.004121 -0.002113 0.004221 3C 1dxy -0.000478 -0.002760 0.002141 -0.001359 0.002684 -0.001247 3C 2dz2 -0.056805 0.158124 -0.145070 -0.209562 0.012949 0.326281 3C 2dxz 0.304190 0.047836 -0.084094 -0.025244 -0.052027 0.087661 3C 2dyz 0.015031 -0.019232 0.047143 0.051955 -0.051890 -0.026162 3C 2dx2y2 0.046088 -0.230846 0.088013 -0.172965 -0.044662 -0.094595 3C 2dxy 0.093275 0.139733 -0.257360 0.183935 0.046320 0.035603 3C 1f0 0.005989 -0.001752 -0.004357 -0.002920 -0.000569 -0.000802 3C 1f+1 -0.004149 0.002378 -0.002770 -0.000039 0.001153 0.000383 3C 1f-1 -0.004962 -0.002013 0.005565 0.000841 0.001076 -0.000993 3C 1f+2 -0.002493 -0.002112 -0.000451 -0.004301 0.005558 -0.002410 3C 1f-2 0.000118 0.000337 -0.005654 0.001906 -0.002590 0.001869 3C 1f+3 0.011357 -0.002221 0.002872 -0.003449 -0.000133 -0.001528 3C 1f-3 0.006801 -0.004146 0.004370 -0.002958 -0.000277 -0.002643 4C 1s -0.001076 -0.013577 -0.000308 -0.005382 -0.001147 -0.013995 4C 2s -0.003502 -0.029284 -0.002034 -0.013764 -0.003219 -0.032119 4C 3s 0.029635 0.025667 0.183306 0.083778 0.007983 0.077839 4C 4s 0.069957 0.249237 -1.623607 -0.229800 0.227078 -0.168172 4C 5s -0.827433 0.313201 -1.367139 0.353065 -0.609534 0.825026 4C 1pz 0.026821 0.068968 0.070466 0.024442 -0.010777 0.060272 4C 1px -0.010090 -0.043460 -0.081138 0.066978 0.095175 -0.018147 4C 1py 0.004713 0.035582 0.005613 -0.009705 0.018742 0.005922 4C 2pz -0.031300 0.228148 0.014891 -0.049111 -0.123650 0.002577 4C 2px 0.165530 -0.221103 -0.427357 0.237739 0.564584 -0.016552 4C 2py 0.099277 0.074643 -0.200316 -0.015069 0.113008 -0.014774 4C 3pz 1.101233 -2.191382 -0.315188 -1.046141 0.335286 -2.322468 4C 3px -0.179061 -2.386513 -2.191242 -0.043011 0.513395 -1.696836 4C 3py 0.161832 -2.442014 -0.949476 0.110195 0.437621 -2.678300 4C 1dz2 0.002392 -0.003768 0.001520 -0.013461 -0.005484 0.002624 4C 1dxz 0.005557 -0.014076 -0.006021 -0.004394 0.006049 -0.003896 4C 1dyz 0.004100 -0.006822 0.000678 0.005356 0.002312 -0.012368 4C 1dx2y2 0.003332 0.009650 -0.014579 -0.008822 0.000136 0.006045 4C 1dxy -0.004693 -0.005767 -0.011415 -0.000912 0.007598 -0.003024 4C 2dz2 -0.202687 0.131526 0.001292 -0.066706 -0.070563 0.185050 4C 2dxz 0.141688 0.191860 0.126977 -0.052042 0.053219 0.232583 4C 2dyz 0.060537 0.126316 -0.071516 0.029977 -0.055283 0.173672 4C 2dx2y2 0.157019 -0.037439 -0.076667 -0.139345 0.003835 0.012301 4C 2dxy -0.165842 0.004928 -0.077876 0.110956 0.130280 0.079567 4C 1f0 -0.002326 0.001264 0.006609 -0.003770 -0.001144 0.007030 4C 1f+1 0.001721 0.000600 0.013318 -0.001379 -0.000155 0.003575 4C 1f-1 -0.000940 -0.001572 0.009940 -0.001776 -0.003831 -0.000809 4C 1f+2 -0.005779 -0.000996 -0.015655 -0.006749 -0.004157 -0.002717 4C 1f-2 0.001860 0.001593 0.001687 0.008451 0.007141 0.002053 4C 1f+3 -0.005125 -0.001194 -0.005761 -0.003091 -0.003384 -0.006213 4C 1f-3 -0.005079 -0.001497 0.016984 0.007020 -0.006183 -0.007756 5C 1s 0.002383 0.015934 0.002368 -0.000860 -0.000241 0.012773 5C 2s 0.005113 0.037527 0.004004 -0.003394 -0.000040 0.032509 5C 3s -0.063653 -0.186195 0.165571 0.038929 -0.001700 -0.225892 5C 4s 0.565903 0.553548 -1.600902 -0.116523 -0.022244 1.029026 5C 5s 0.001081 0.087050 -1.385694 0.659811 -1.096384 -0.701288 5C 1pz -0.009422 -0.076723 0.033865 -0.039432 -0.021531 -0.074357 5C 1px 0.024174 0.075276 -0.063559 0.015410 0.077172 0.010689 5C 1py 0.007387 0.103817 -0.040732 -0.020406 0.012486 0.066395 5C 2pz 0.011749 -0.146248 0.007366 -0.086763 -0.173317 0.050546 5C 2px 0.139992 0.433453 -0.447232 0.061810 0.547080 0.012739 5C 2py -0.082103 0.132354 0.059038 -0.005148 0.114591 -0.009449 5C 3pz 0.726453 1.182617 0.563975 0.038310 0.451320 0.577703 5C 3px 0.926058 2.758461 -2.341973 1.352981 -0.132482 1.810139 5C 3py -1.045142 -2.939854 -0.054022 0.611145 -0.494766 -2.749490 5C 1dz2 -0.005890 -0.007054 0.014754 0.009074 -0.001540 -0.014738 5C 1dxz 0.005730 0.004842 0.002449 0.010111 0.001706 -0.005679 5C 1dyz -0.003539 0.000179 -0.002963 -0.003666 0.002512 -0.000177 5C 1dx2y2 -0.000221 -0.005967 -0.012704 0.009566 0.002919 -0.001050 5C 1dxy 0.002121 -0.013702 0.006828 -0.006305 -0.006391 -0.006153 5C 2dz2 -0.200238 -0.045225 0.092419 0.070716 -0.044364 0.026977 5C 2dxz 0.139161 -0.036363 0.053783 0.076388 0.108291 -0.180038 5C 2dyz 0.038352 0.002250 0.119465 -0.078440 0.056185 0.015496 5C 2dx2y2 0.145525 0.193642 -0.012936 0.083655 0.066364 -0.035455 5C 2dxy 0.194485 0.138528 -0.048316 0.170254 -0.174897 0.059469 5C 1f0 -0.003156 -0.004899 0.003405 -0.000402 0.006517 -0.005788 5C 1f+1 -0.005448 -0.008128 0.012894 0.009671 -0.007558 -0.006132 5C 1f-1 0.002217 0.002598 -0.002894 -0.003481 0.003489 0.002168 5C 1f+2 0.001330 0.006516 -0.008648 -0.002740 -0.001642 0.009460 5C 1f-2 0.005670 0.004016 -0.014039 0.001905 -0.012577 0.016584 5C 1f+3 -0.008453 -0.008983 0.011554 -0.000320 -0.003671 -0.002596 5C 1f-3 0.003784 0.011068 -0.013368 0.005223 0.001326 0.008025 6C 1s -0.002187 0.016445 0.002404 -0.000863 0.000003 -0.012876 6C 2s -0.004641 0.038736 0.004034 -0.003410 -0.000550 -0.030924 6C 3s 0.061699 -0.191747 0.165657 0.038783 -0.004724 0.107886 6C 4s -0.564651 0.574479 -1.593616 -0.115470 0.115468 -0.292812 6C 5s 0.001263 0.071810 -1.348459 0.675205 1.151642 1.150830 6C 1pz -0.009159 0.077618 -0.035659 0.038030 -0.022289 -0.063343 6C 1px 0.023350 -0.072873 0.068977 -0.014522 0.075478 0.016707 6C 1py 0.006130 -0.106049 0.041840 0.020368 0.010660 0.051238 6C 2pz 0.012382 0.141620 -0.019762 0.084384 -0.177223 -0.021959 6C 2px 0.135439 -0.420716 0.479581 -0.060059 0.537665 -0.007371 6C 2py -0.083435 -0.127823 -0.049727 0.007052 0.118885 0.102100 6C 3pz 0.725293 -1.251742 -0.551332 -0.065251 0.477362 0.511956 6C 3px 0.916126 -2.814781 2.312869 -1.340229 -0.202755 1.954145 6C 3py -1.007853 3.062991 0.065689 -0.628464 -0.452772 -2.656080 6C 1dz2 0.005751 -0.007230 0.014688 0.009432 0.000755 0.012771 6C 1dxz -0.005882 0.004912 0.002402 0.010160 -0.001952 0.002446 6C 1dyz 0.003640 -0.000135 -0.003178 -0.003888 -0.002648 -0.001442 6C 1dx2y2 -0.000026 -0.006238 -0.013045 0.009661 -0.002562 0.004950 6C 1dxy -0.002258 -0.013530 0.007262 -0.006215 0.006325 0.007967 6C 2dz2 0.201928 -0.048006 0.090372 0.073935 0.034390 -0.068832 6C 2dxz -0.138759 -0.039040 0.049844 0.078482 -0.116818 0.159616 6C 2dyz -0.038292 0.005582 0.118119 -0.080285 -0.057018 -0.090946 6C 2dx2y2 -0.142149 0.196236 -0.014884 0.089274 -0.064000 0.060559 6C 2dxy -0.194617 0.146731 -0.033477 0.170885 0.176832 -0.078408 6C 1f0 -0.003083 0.005112 -0.002933 0.000375 0.006634 -0.004194 6C 1f+1 -0.005378 0.008230 -0.013258 -0.009719 -0.006839 -0.000706 6C 1f-1 0.002232 -0.002560 0.003054 0.003699 0.003396 0.001558 6C 1f+2 0.001260 -0.006492 0.008597 0.002806 -0.002050 0.006902 6C 1f-2 0.005789 -0.004570 0.013248 -0.001798 -0.013532 0.009113 6C 1f+3 -0.008306 0.009218 -0.011623 0.000496 -0.002975 0.005473 6C 1f-3 0.003703 -0.011095 0.013555 -0.005400 0.000662 -0.001088 7C 1s 0.001019 -0.013697 -0.000438 -0.004819 0.000934 0.015686 7C 2s 0.003411 -0.029598 -0.002352 -0.012395 0.002660 0.037691 7C 3s -0.030034 0.027701 0.185823 0.077089 -0.012120 -0.207369 7C 4s -0.070564 0.245375 -1.639402 -0.200020 -0.140393 0.946699 7C 5s 0.810580 0.285732 -1.370432 0.276908 0.707934 -0.343569 7C 1pz 0.025483 -0.070717 -0.072579 -0.021841 -0.005549 0.082891 7C 1px -0.007174 0.045093 0.087203 -0.066097 0.086903 -0.006827 7C 1py 0.004660 -0.035524 -0.005164 0.011468 0.016703 0.022520 7C 2pz -0.034796 -0.231780 -0.022266 0.049404 -0.114318 -0.117785 7C 2px 0.172430 0.228244 0.456146 -0.236549 0.528774 0.008439 7C 2py 0.100081 -0.075356 0.204831 0.015362 0.101820 -0.078372 7C 3pz 1.096299 2.164857 0.334943 0.904116 0.323340 -2.772881 7C 3px -0.114657 2.375781 2.203234 -0.012593 0.326755 -1.788491 7C 3py 0.193380 2.474236 0.982012 -0.214676 0.397573 -2.942192 7C 1dz2 -0.002468 -0.003388 0.001819 -0.013354 0.005326 -0.003823 7C 1dxz -0.005889 -0.013944 -0.006233 -0.004385 -0.005450 0.000679 7C 1dyz -0.004088 -0.006924 0.000571 0.005643 -0.002387 0.014372 7C 1dx2y2 -0.003415 0.009823 -0.014555 -0.008752 0.000783 -0.003008 7C 1dxy 0.004522 -0.005897 -0.011910 -0.000717 -0.006738 0.004158 7C 2dz2 0.205825 0.130780 0.004233 -0.069390 0.075000 -0.187525 7C 2dxz -0.136191 0.193385 0.124245 -0.057361 -0.059067 -0.271101 7C 2dyz -0.060538 0.126634 -0.068759 0.023980 0.055162 -0.130388 7C 2dx2y2 -0.153971 -0.033599 -0.076449 -0.139318 0.001793 0.057569 7C 2dxy 0.165686 0.001021 -0.085366 0.111580 -0.126434 -0.044514 7C 1f0 -0.002349 -0.001388 -0.006653 0.003902 -0.000798 0.011794 7C 1f+1 0.001665 -0.000737 -0.013397 0.001692 0.000203 0.014243 7C 1f-1 -0.000931 0.001412 -0.010168 0.001960 -0.003257 0.002894 7C 1f+2 -0.005740 0.000990 0.015603 0.006427 -0.004919 -0.011773 7C 1f-2 0.001759 -0.001450 -0.001364 -0.008309 0.007152 0.004158 7C 1f+3 -0.004913 0.001228 0.005641 0.002956 -0.003699 -0.006448 7C 1f-3 -0.004984 0.001489 -0.017450 -0.006937 -0.005494 -0.000626 8C 1s 0.002159 -0.001484 0.000714 0.000162 0.000046 0.002228 8C 2s 0.006546 -0.005339 0.003270 0.000331 0.000028 0.006346 8C 3s -0.028722 0.041752 -0.073388 -0.010971 -0.011235 -0.016682 8C 4s 0.044500 0.021957 0.293119 0.157474 0.215956 -0.088716 8C 5s -1.937048 3.562734 0.261850 -0.829070 -1.834694 -3.274816 8C 1pz 0.009841 -0.024671 -0.005585 -0.028403 -0.009611 0.028388 8C 1px -0.006486 -0.011112 0.008807 -0.008371 0.019041 0.004891 8C 1py -0.025257 0.045304 -0.019118 -0.009024 0.011715 -0.040676 8C 2pz -0.028869 -0.170771 -0.119599 -0.194287 -0.065072 0.081356 8C 2px -0.201420 0.034921 -0.151333 0.022896 0.162716 -0.049005 8C 2py -0.177976 0.096018 0.062800 -0.026367 0.063056 -0.135736 8C 3pz 0.227375 -1.099269 0.454512 0.466999 0.156557 1.196088 8C 3px -0.583800 0.213541 -0.758253 0.620538 0.125110 0.044780 8C 3py -0.663711 0.868523 -0.118775 0.311658 -0.332803 -0.576881 8C 1dz2 -0.001194 -0.003224 -0.001478 -0.005015 -0.000815 -0.001635 8C 1dxz 0.004462 0.000079 0.000875 -0.003925 0.001745 -0.002542 8C 1dyz 0.001965 -0.003759 0.000405 0.003306 0.001576 0.004611 8C 1dx2y2 0.000106 0.002277 -0.003152 -0.004247 0.002331 -0.003985 8C 1dxy 0.000492 -0.002849 0.001950 -0.001374 -0.002763 0.001659 8C 2dz2 0.058451 0.159488 -0.146855 -0.218209 -0.004471 -0.325782 8C 2dxz -0.306852 0.058990 -0.074285 -0.027723 0.061052 -0.080075 8C 2dyz -0.014035 -0.016927 0.049216 0.056791 0.055346 0.038642 8C 2dx2y2 -0.048261 -0.229934 0.093144 -0.176833 0.044377 0.086424 8C 2dxy -0.095679 0.136581 -0.259821 0.182024 -0.040046 -0.047835 8C 1f0 0.006075 0.001643 0.004298 0.003061 -0.000770 -0.000868 8C 1f+1 -0.004212 -0.002162 0.002954 -0.000022 0.001308 0.000883 8C 1f-1 -0.005050 0.002123 -0.005450 -0.000945 0.001124 -0.000705 8C 1f+2 -0.002556 0.002314 0.000832 0.004258 0.005692 -0.005867 8C 1f-2 0.000187 -0.000314 0.005550 -0.001789 -0.002635 -0.000163 8C 1f+3 0.011388 0.001728 -0.003075 0.003578 -0.000206 -0.000805 8C 1f-3 0.006839 0.003838 -0.004466 0.002950 -0.000405 -0.003251 9C 1s 0.001921 0.001332 0.001108 0.000257 0.000845 -0.004228 9C 2s 0.005151 0.004720 0.004538 0.000911 0.002474 -0.011837 9C 3s -0.002950 -0.007311 -0.078473 -0.008017 -0.010496 0.021326 9C 4s -0.006915 -0.203132 0.257906 0.056254 0.125942 0.300195 9C 5s -1.886601 -3.139272 -0.376752 -0.952073 -1.653793 3.757528 9C 1pz -0.007701 0.043334 0.026883 0.014929 -0.000967 -0.047582 9C 1px 0.011744 0.001669 0.007696 0.012168 0.012403 0.024487 9C 1py 0.018712 0.029539 0.007396 -0.020514 0.005363 -0.051533 9C 2pz -0.094388 0.221470 -0.062090 0.080608 -0.002179 -0.179081 9C 2px 0.075723 -0.138456 -0.101734 0.034985 0.078979 0.234432 9C 2py 0.244537 0.113671 -0.073768 -0.146275 0.025956 -0.306769 9C 3pz 0.000855 1.226893 0.344295 -0.120832 0.409038 -1.361470 9C 3px 0.183388 -0.649532 -0.772860 -0.141402 -0.191253 0.236854 9C 3py 0.783435 0.311430 0.274536 0.679145 0.041169 -0.337075 9C 1dz2 -0.001208 -0.001805 0.002483 0.004462 -0.002019 0.003315 9C 1dxz 0.002514 -0.001805 0.000156 0.004216 0.002161 0.003094 9C 1dyz -0.000368 -0.004035 -0.000872 -0.003746 -0.000343 0.001412 9C 1dx2y2 0.002179 -0.004425 -0.000816 0.004350 -0.001393 0.003594 9C 1dxy -0.001818 -0.001294 -0.003045 0.000516 0.001812 0.001832 9C 2dz2 0.029356 -0.171649 -0.055547 0.250094 -0.100764 0.294436 9C 2dxz -0.128213 0.063731 0.141759 -0.026648 0.080085 0.122029 9C 2dyz -0.094929 0.089433 0.033386 -0.128592 0.030195 -0.171346 9C 2dx2y2 -0.174662 0.208154 0.180469 0.127504 0.037843 -0.044861 9C 2dxy 0.215844 0.044093 0.223084 0.056751 0.021348 -0.058027 9C 1f0 0.011100 -0.000122 0.001449 -0.004877 0.000142 -0.006193 9C 1f+1 -0.003364 -0.001207 -0.003096 0.001600 0.002739 0.005390 9C 1f-1 -0.002000 0.006719 -0.001947 0.000331 -0.000467 -0.007248 9C 1f+2 -0.003390 -0.004586 -0.000316 -0.000698 -0.001220 0.001944 9C 1f-2 0.005695 -0.000866 -0.006993 -0.001132 0.000583 -0.005259 9C 1f+3 0.006975 -0.003279 -0.000675 -0.002721 0.000832 -0.002154 9C 1f-3 0.000315 0.001453 0.003690 0.000350 0.001091 0.003079 10H 1s -0.005192 -0.023693 -0.017520 0.002066 0.004732 -0.014229 10H 2s -0.258054 -0.310180 -0.155916 -0.001876 -0.076709 -0.250446 10H 3s -0.258710 -0.245620 -0.346821 -0.024398 -0.015691 0.027537 10H 1pz -0.012904 0.010351 0.012959 -0.007209 -0.016270 0.009040 10H 1px 0.011128 0.022348 0.010989 0.004114 -0.006540 0.014082 10H 1py 0.012472 0.013616 0.013807 0.007709 -0.008649 -0.000710 11H 1s -0.012526 -0.006264 0.002125 0.008856 -0.008164 -0.010382 11H 2s -0.414737 0.035272 0.031321 -0.010541 -0.047347 0.291837 11H 3s -0.349493 0.175772 0.171903 0.408395 -0.218258 -0.091914 11H 1pz -0.013925 0.011774 0.001569 -0.019615 0.006168 0.039016 11H 1px -0.012511 0.005153 -0.007452 0.000787 0.003077 0.013933 11H 1py 0.025787 0.001271 -0.014463 -0.008967 0.000189 -0.004077 12H 1s 0.002611 -0.002275 -0.004085 -0.005877 -0.011493 -0.000474 12H 2s 0.382295 0.119689 -0.063720 0.115264 -0.100710 -0.036479 12H 3s 0.152550 0.326686 -0.094234 -0.149389 -0.314488 0.241511 12H 1pz -0.026144 -0.005046 0.006505 0.016844 0.014416 -0.001159 12H 1px 0.012865 0.014646 0.000101 0.005869 0.004413 0.008617 12H 1py 0.032384 0.009588 -0.006420 0.018656 0.005113 -0.010724 13H 1s 0.012943 0.022546 -0.015525 0.009923 -0.002913 0.012278 13H 2s 0.325781 0.227033 -0.129197 0.150691 -0.202395 0.173700 13H 3s 0.124934 0.139295 -0.420187 0.153732 -0.126422 0.062381 13H 1pz 0.003868 -0.002239 0.011899 0.004110 -0.004975 -0.006461 13H 1px -0.035603 -0.018713 0.017182 -0.003494 0.000190 -0.017700 13H 1py -0.003832 0.021841 -0.008432 0.004774 0.016008 0.012352 14H 1s -0.011002 0.004192 0.001344 -0.003844 -0.014328 0.011546 14H 2s -0.554312 0.112591 0.086413 0.045571 0.009273 0.070406 14H 3s -0.463903 -0.091577 0.003390 -0.237923 -0.241946 -0.023456 14H 1pz -0.013749 0.011518 -0.000293 0.013066 0.006439 -0.006538 14H 1px -0.041393 0.005100 0.008218 -0.001344 0.014972 -0.000587 14H 1py -0.018885 0.006391 0.000638 -0.014358 -0.012194 0.020478 15H 1s -0.000108 -0.002052 0.000924 0.011228 -0.010112 -0.005976 15H 2s 0.077800 -0.140925 -0.096051 -0.022262 -0.052934 -0.163486 15H 3s -0.136808 -0.391790 0.105641 0.384750 -0.233747 -0.434760 15H 1pz -0.010121 0.012193 0.001664 -0.009316 0.000188 0.017499 15H 1px -0.013733 0.007682 -0.014977 -0.001391 0.001735 0.008595 15H 1py -0.012847 0.012221 0.009215 0.023396 -0.009631 -0.003455 16H 1s 0.002726 0.012243 0.001429 0.008909 0.028399 0.005797 16H 2s 0.059908 -0.019983 0.027178 0.097070 0.435937 -0.046281 16H 3s -0.017579 0.067479 -0.088097 -0.036972 0.094133 -0.031356 16H 1pz 0.008255 -0.002164 -0.000735 -0.001199 -0.002700 -0.007269 16H 1px 0.002641 0.011870 -0.000906 0.009911 0.000165 0.007575 16H 1py -0.001462 -0.009714 0.001698 0.003655 0.039965 -0.006875 17H 1s 0.009276 -0.014969 -0.001260 0.003847 0.029176 -0.000644 17H 2s -0.037585 -0.166352 -0.092473 0.121746 0.442238 -0.026000 17H 3s -0.249820 -0.041264 -0.091532 -0.055575 0.031035 0.138540 17H 1pz 0.003154 0.008020 -0.008237 0.001169 0.007090 -0.003802 17H 1px 0.016869 -0.012185 0.011374 -0.003421 0.003862 0.001445 17H 1py 0.002710 -0.014134 -0.005637 0.004368 0.040259 -0.010223 18H 1s -0.009412 -0.015067 -0.002769 0.003567 -0.028815 -0.003441 18H 2s 0.036122 -0.168882 -0.119717 0.119373 -0.419534 -0.131604 18H 3s 0.255247 -0.030808 -0.089679 -0.055309 -0.019079 -0.093992 18H 1pz 0.003179 -0.007908 0.008146 -0.001113 0.005738 -0.002863 18H 1px 0.016765 0.011781 -0.011807 0.003633 0.004143 0.000754 18H 1py 0.003004 0.014449 0.007975 -0.004292 0.038421 0.002612 19H 1s -0.002816 0.011437 -0.000338 0.008656 -0.028059 -0.011985 19H 2s -0.059776 -0.026433 0.000125 0.091173 -0.418698 -0.117576 19H 3s 0.016754 0.071462 -0.085638 -0.043458 -0.092976 0.044637 19H 1pz 0.008050 0.001402 0.000275 0.001172 -0.004272 -0.004898 19H 1px 0.003013 -0.011477 0.000530 -0.009838 -0.000001 0.011779 19H 1py -0.001386 0.011045 0.001034 -0.003204 0.038742 0.004690 20H 1s -0.000198 -0.001760 0.001341 0.011517 0.010079 0.005790 20H 2s -0.089202 -0.137579 -0.095093 -0.025970 0.048276 0.155743 20H 3s 0.125606 -0.390412 0.110747 0.393113 0.217215 0.387381 20H 1pz -0.011186 -0.012048 -0.001597 0.009447 -0.000144 0.017091 20H 1px -0.013633 -0.006868 0.015205 0.001694 0.001966 0.008746 20H 1py -0.013481 -0.012134 -0.009585 -0.024227 -0.009442 -0.001982 21H 1s 0.011252 0.004547 0.001978 -0.004120 0.014423 -0.011826 21H 2s 0.562990 0.096097 0.075209 0.049615 -0.025360 -0.045367 21H 3s 0.472167 -0.098044 0.010184 -0.242273 0.244194 0.015765 21H 1pz -0.014574 -0.010581 0.000765 -0.013570 0.007333 -0.008718 21H 1px -0.041810 -0.003377 -0.006648 0.000955 0.016177 -0.003417 21H 1py -0.019446 -0.006407 -0.001282 0.014713 -0.012291 0.020347 22H 1s -0.012828 0.022946 -0.015442 0.009799 0.003591 -0.013101 22H 2s -0.322460 0.246917 -0.113392 0.149117 0.213051 -0.136803 22H 3s -0.123295 0.143158 -0.414970 0.151770 0.149091 -0.056480 22H 1pz 0.003184 0.001829 -0.012374 -0.004501 -0.004795 -0.010689 22H 1px -0.035524 0.020095 -0.016536 0.003183 0.001460 -0.014742 22H 1py -0.004394 -0.021376 0.009601 -0.004752 0.015643 0.012827 23H 1s -0.002636 -0.002005 -0.003658 -0.005819 0.011833 0.001802 23H 2s -0.378738 0.124247 -0.052523 0.112187 0.102637 0.038077 23H 3s -0.148752 0.331128 -0.080085 -0.164596 0.325843 -0.278979 23H 1pz -0.026026 0.006122 -0.005353 -0.016569 0.014457 -0.000222 23H 1px 0.011578 -0.014288 -0.000018 -0.005633 0.004319 0.010232 23H 1py 0.032573 -0.010099 0.005782 -0.018525 0.005245 -0.011152 24H 1s 0.012701 -0.006837 0.002332 0.008886 0.008397 0.011682 24H 2s 0.421597 0.022218 0.025466 -0.015356 0.044885 -0.336797 24H 3s 0.354635 0.160949 0.175050 0.395197 0.208326 0.032127 24H 1pz -0.014231 -0.011550 -0.000788 0.020005 0.006436 0.041076 24H 1px -0.013408 -0.004823 0.007215 -0.000572 0.002916 0.018407 24H 1py 0.026198 -0.002288 0.014034 0.009065 -0.000712 -0.004114 25H 1s 0.004387 -0.024097 -0.018107 0.002503 -0.002974 0.015568 25H 2s 0.241722 -0.314040 -0.162128 0.001372 0.091770 0.368395 25H 3s 0.244508 -0.250392 -0.352747 -0.025592 0.049250 0.003877 25H 1pz -0.013183 -0.010448 -0.013603 0.007666 -0.014801 0.005537 25H 1px 0.009697 -0.022332 -0.011817 -0.003449 -0.005667 0.024094 25H 1py 0.012336 -0.014078 -0.014503 -0.007398 -0.007365 -0.002785 26O 1s -0.003278 -0.000877 -0.000258 0.001181 0.009511 0.001356 26O 2s -0.007005 -0.003505 -0.000979 0.002714 0.021875 0.002555 26O 3s -0.003679 0.029966 0.005601 -0.001054 -0.010517 0.012772 26O 4s 0.139506 -0.182067 -0.179517 -0.026342 -0.205923 -0.162471 26O 5s -0.493243 1.920713 2.206733 -0.001829 -0.646535 1.335259 26O 1pz -0.014052 0.055832 0.045748 0.038974 -0.005009 0.019597 26O 1px -0.017763 -0.002203 0.043826 0.033932 -0.031499 0.020017 26O 1py 0.014724 0.068239 -0.025931 -0.025112 -0.020100 0.032555 26O 2pz -0.019540 0.133292 0.149233 0.045129 0.027080 0.075381 26O 2px -0.009359 -0.028330 0.025725 0.050572 -0.051360 0.043323 26O 2py 0.107100 0.146132 -0.057933 -0.042131 -0.032883 0.046962 26O 3pz -0.172964 -0.750481 -0.889708 0.110252 0.024749 -0.598511 26O 3px 0.285325 -0.495480 -1.460636 0.072184 1.091712 -0.494379 26O 3py -0.044511 -0.619468 -0.710648 0.038606 0.453159 -0.167688 26O 1dz2 -0.003978 0.003139 0.004746 -0.000345 -0.004741 0.002779 26O 1dxz -0.003010 -0.005134 -0.005310 0.002383 0.001002 -0.004900 26O 1dyz 0.001421 0.000240 -0.000846 0.000686 0.000173 0.000546 26O 1dx2y2 -0.002980 0.000983 -0.008127 0.004639 0.007310 0.000130 26O 1dxy 0.004605 -0.001001 -0.006308 -0.000540 0.005068 0.001213 26O 2dz2 -0.025910 0.002761 0.010056 -0.029841 0.024219 0.030862 26O 2dxz -0.016328 0.016398 0.013062 0.005980 -0.006789 -0.000060 26O 2dyz 0.027276 0.035250 0.025520 0.009862 -0.001921 0.027775 26O 2dx2y2 -0.027605 0.003863 0.037163 -0.001533 -0.010353 0.015839 26O 2dxy -0.015451 0.019565 0.047264 -0.009250 -0.020782 0.023206 26O 1f0 0.000513 0.001053 0.000552 0.000018 0.000260 0.000114 26O 1f+1 0.000728 -0.000235 0.002538 0.001618 0.000428 -0.001343 26O 1f-1 -0.000456 -0.002261 -0.000824 0.000572 0.000970 -0.001291 26O 1f+2 0.000501 0.000111 0.001196 0.000678 -0.000569 0.000215 26O 1f-2 -0.000137 -0.001682 -0.001102 -0.000496 0.000155 -0.001514 26O 1f+3 0.001493 -0.000170 0.002247 -0.001254 -0.000582 -0.000111 26O 1f-3 -0.001475 0.000787 0.001985 0.000726 0.000251 0.000898 27O 1s -0.001903 -0.000729 -0.000926 0.004322 0.008492 0.001558 27O 2s -0.002812 -0.000143 -0.002259 0.010118 0.019077 0.002828 27O 3s -0.023552 -0.024163 0.003029 -0.011241 0.001158 0.009528 27O 4s 0.230768 0.265830 -0.143422 -0.061598 -0.263481 -0.020231 27O 5s -1.406817 -2.668203 1.958628 -0.377482 -0.063167 -0.983442 27O 1pz -0.017927 -0.008669 -0.005929 -0.074719 0.023390 0.010950 27O 1px -0.021460 -0.001053 0.028009 -0.023012 -0.023108 -0.035894 27O 1py 0.001786 0.071934 -0.029721 -0.006712 0.002492 0.038776 27O 2pz -0.067303 -0.026480 0.037684 -0.155114 0.081343 -0.003714 27O 2px 0.016832 0.069428 0.008282 -0.061167 -0.028260 -0.079264 27O 2py -0.063149 0.146325 -0.113207 0.033773 -0.046121 0.096237 27O 3pz -0.071297 0.040202 -0.254035 0.373464 -0.440527 0.317872 27O 3px 0.549657 1.123184 -1.468688 0.270462 0.903442 0.917233 27O 3py -0.011753 -0.755314 1.051486 -0.588316 0.153112 -0.386484 27O 1dz2 -0.003847 -0.002578 0.005433 -0.000226 -0.003346 -0.001188 27O 1dxz -0.004453 -0.001257 -0.000253 -0.000689 -0.003665 0.002509 27O 1dyz 0.002432 0.002315 -0.000705 0.001794 -0.000818 0.001609 27O 1dx2y2 0.000018 0.003185 -0.008486 0.000309 0.006711 0.003500 27O 1dxy -0.005182 -0.005008 0.006367 -0.004984 0.000391 0.001134 27O 2dz2 -0.028090 0.051597 -0.018756 0.014068 0.009838 0.033824 27O 2dxz -0.010191 -0.007632 -0.007021 -0.004529 -0.003627 0.006377 27O 2dyz 0.020342 0.017314 -0.032029 0.008218 -0.020295 0.024089 27O 2dx2y2 -0.038538 -0.015459 0.029789 0.017180 -0.027326 -0.013539 27O 2dxy 0.015974 0.041233 -0.032567 -0.002017 0.011573 0.027613 27O 1f0 0.000512 -0.000123 0.000302 -0.000164 0.000463 0.000015 27O 1f+1 0.000487 -0.002164 0.001813 -0.000828 -0.000316 -0.001171 27O 1f-1 -0.000243 -0.000098 0.000105 0.000435 -0.000045 -0.000441 27O 1f+2 -0.001441 -0.002783 0.002175 -0.001005 -0.000611 -0.001928 27O 1f-2 -0.000176 -0.000811 0.001291 -0.000040 0.000094 -0.001444 27O 1f+3 0.000065 -0.001632 0.002442 0.002381 -0.000724 -0.001844 27O 1f-3 0.002583 0.001874 -0.001365 0.000420 -0.000616 0.000361 28O 1s 0.001432 0.002992 0.002560 0.002146 -0.009171 -0.000946 28O 2s 0.003210 0.006174 0.006350 0.004790 -0.021092 -0.000409 28O 3s -0.002551 0.005458 -0.016731 -0.002193 0.009146 -0.032322 28O 4s -0.036765 -0.059231 -0.003748 -0.099790 0.226750 0.193364 28O 5s 0.035852 0.299037 0.194484 0.667216 0.348052 -0.052626 28O 1pz 0.016026 0.051981 0.040862 0.031385 0.011870 0.031760 28O 1px 0.000916 -0.023668 -0.073651 0.037353 -0.008229 -0.078423 28O 1py -0.010528 0.013911 -0.025201 -0.066875 -0.011630 0.026502 28O 2pz 0.002930 0.015956 -0.025572 0.049008 -0.006760 -0.006672 28O 2px 0.036389 -0.043394 -0.117419 0.096625 -0.022966 -0.141514 28O 2py -0.078826 -0.041937 -0.102506 -0.126143 -0.049579 0.003740 28O 3pz 0.146646 0.381581 0.133161 -0.373434 -0.405709 -0.045588 28O 3px 0.106123 0.187751 0.740272 0.149331 0.639878 0.712391 28O 3py 0.156342 0.378604 0.537902 0.198461 0.174486 0.311992 28O 1dz2 0.006427 0.002421 0.003773 -0.002493 0.000227 0.000482 28O 1dxz -0.000538 -0.003475 0.000745 0.001254 0.004595 0.001670 28O 1dyz -0.004303 0.002586 0.000402 0.001465 0.001433 0.000465 28O 1dx2y2 -0.000319 0.001554 -0.001949 -0.002094 -0.004183 0.000246 28O 1dxy 0.003062 -0.000904 -0.001823 -0.001091 -0.001660 -0.000606 28O 2dz2 0.015846 0.017752 -0.002373 0.013715 0.004166 0.014303 28O 2dxz -0.003971 -0.009709 -0.048654 -0.014894 -0.021686 -0.029953 28O 2dyz -0.023719 -0.005727 -0.009963 0.006925 -0.008920 0.031562 28O 2dx2y2 0.025894 0.020052 0.015207 0.009327 0.007971 0.014471 28O 2dxy -0.013224 -0.017171 -0.003211 0.004096 -0.010591 -0.002896 28O 1f0 0.000413 -0.000848 0.001781 0.002787 0.001028 -0.000737 28O 1f+1 -0.001764 -0.000123 0.000406 0.001103 -0.000229 0.000215 28O 1f-1 -0.000375 0.000287 0.000655 -0.000199 -0.000886 0.001650 28O 1f+2 -0.001653 0.000584 -0.001669 -0.000553 -0.000189 -0.001596 28O 1f-2 0.001106 -0.000424 -0.000457 -0.000128 -0.000961 0.001629 28O 1f+3 -0.001346 0.000233 -0.000779 -0.000001 -0.000741 -0.000174 28O 1f-3 0.002357 0.000323 0.000159 -0.001377 -0.000717 0.000367 29O 1s 0.001344 0.005480 0.002959 -0.003295 -0.008013 0.000790 29O 2s 0.003099 0.011126 0.008681 -0.006749 -0.019617 0.000752 29O 3s -0.000381 0.018446 -0.036170 -0.010912 0.032545 0.016124 29O 4s -0.064600 -0.297689 0.068497 0.185747 0.175943 -0.117155 29O 5s 0.256253 0.600061 -0.264101 -0.385914 -0.259432 0.289695 29O 1pz -0.013762 -0.016106 -0.019648 0.009725 0.031904 0.016625 29O 1px -0.023596 0.011653 0.052610 -0.026684 -0.114217 -0.007898 29O 1py 0.019659 0.000097 0.021345 -0.003042 -0.033200 0.010088 29O 2pz -0.018152 -0.056918 -0.036060 0.024869 0.060689 0.019114 29O 2px -0.064117 0.051259 0.069857 -0.065368 -0.222279 0.022675 29O 2py 0.039624 -0.021368 0.044035 0.002761 -0.067755 -0.011635 29O 3pz 0.138694 0.259579 0.209657 -0.099715 0.046083 -0.048298 29O 3px 0.172979 -0.119036 0.050653 0.131113 0.052544 -0.147492 29O 3py -0.120856 0.031712 -0.165420 0.108612 0.486653 0.093746 29O 1dz2 0.000537 0.000174 -0.000496 0.001036 0.004891 -0.000874 29O 1dxz -0.001018 -0.001375 0.000096 0.000086 0.003609 0.000473 29O 1dyz 0.001137 0.001581 0.001539 -0.000459 0.000351 -0.000942 29O 1dx2y2 -0.000380 -0.001101 0.001310 -0.000210 -0.002002 -0.000765 29O 1dxy 0.001425 0.002113 -0.000249 0.000255 -0.002556 0.001539 29O 2dz2 -0.006179 0.007070 -0.010648 0.007011 0.015330 0.012315 29O 2dxz 0.007818 -0.005453 -0.002430 -0.006840 -0.005154 -0.002685 29O 2dyz -0.002142 -0.001511 -0.001780 0.002659 -0.011521 -0.000459 29O 2dx2y2 0.025643 -0.018453 0.001896 0.007039 0.046327 -0.011937 29O 2dxy -0.008678 -0.000691 0.001132 -0.010804 0.018480 -0.006986 29O 1f0 0.000247 -0.001085 -0.000699 0.000288 0.001241 -0.000650 29O 1f+1 0.000338 -0.000012 0.000295 -0.000323 -0.000854 -0.000032 29O 1f-1 -0.000079 -0.000624 0.000156 -0.000284 -0.000248 -0.000664 29O 1f+2 -0.000568 0.001160 0.000767 0.000133 -0.000624 0.000772 29O 1f-2 -0.000671 0.000309 0.000511 -0.000143 0.000366 -0.000551 29O 1f+3 0.001187 -0.000407 0.000669 0.000041 0.000294 -0.000222 29O 1f-3 0.000443 -0.000877 0.000471 -0.000708 0.000111 -0.000941 30O 1s -0.003356 -0.006124 0.002468 -0.002314 -0.010976 -0.004446 30O 2s -0.008530 -0.013479 0.006314 -0.005548 -0.024915 -0.011371 30O 3s 0.020089 0.001450 -0.019834 0.010810 0.003789 0.030035 30O 4s 0.038361 0.164949 0.020107 -0.024610 0.311693 0.043688 30O 5s -0.371844 -0.800903 -0.111187 0.317680 0.278366 -0.525512 30O 1pz 0.017042 -0.048413 -0.028249 -0.046527 0.034670 -0.000044 30O 1px 0.017717 0.018154 -0.082550 0.007400 -0.039201 0.052783 30O 1py 0.044080 0.044811 -0.029292 -0.052924 -0.015743 0.056203 30O 2pz 0.087174 -0.031671 -0.130946 -0.049350 0.009845 0.044385 30O 2px 0.004780 0.028122 -0.166275 0.021301 -0.086349 0.072506 30O 2py 0.112730 -0.029899 0.023972 -0.142135 0.038062 0.011937 30O 3pz 0.105542 -0.099483 0.287083 -0.070250 -0.383966 0.141771 30O 3px -0.155719 -0.406239 0.869654 -0.099589 0.975682 -0.840388 30O 3py -0.408503 0.443043 -0.322903 0.567167 0.176363 0.005037 30O 1dz2 0.006308 0.002962 0.003506 0.001136 0.002075 -0.003339 30O 1dxz -0.002587 0.003203 0.001663 0.000248 0.005474 -0.000905 30O 1dyz -0.003594 0.003637 -0.001299 0.000883 0.003188 0.000478 30O 1dx2y2 0.001433 0.001752 -0.003425 0.002650 -0.003502 0.000691 30O 1dxy -0.000405 -0.003937 0.000200 -0.001432 -0.004257 0.000557 30O 2dz2 0.029374 -0.007390 -0.010826 0.001190 -0.007870 0.009547 30O 2dxz 0.025938 0.019646 -0.037844 0.017155 -0.025297 0.031049 30O 2dyz 0.010716 0.016341 0.001827 -0.008979 -0.005994 0.038436 30O 2dx2y2 0.023164 -0.000873 0.007333 0.000556 -0.005479 -0.003648 30O 2dxy 0.000844 -0.045908 0.029415 0.003064 0.027517 -0.037758 30O 1f0 -0.000259 -0.001330 -0.000352 0.000221 0.000275 -0.000753 30O 1f+1 -0.001814 -0.001106 -0.000341 -0.000835 -0.000498 0.001456 30O 1f-1 -0.000368 -0.000081 -0.000289 0.001853 -0.000267 -0.000133 30O 1f+2 0.001260 0.000591 -0.001566 0.001165 -0.000574 0.001695 30O 1f-2 0.001554 0.001305 -0.000805 -0.000124 0.000244 0.002774 30O 1f+3 0.000285 -0.000480 -0.000230 -0.000435 -0.000555 -0.001096 30O 1f-3 -0.001077 0.001656 -0.002050 -0.001693 -0.000402 0.003694 31O 1s 0.003324 -0.006076 0.003181 -0.002167 0.011016 0.001811 31O 2s 0.008470 -0.013407 0.007924 -0.005224 0.024945 0.005334 31O 3s -0.020309 0.002156 -0.019965 0.010849 -0.002456 -0.024524 31O 4s -0.036095 0.162269 -0.000547 -0.029141 -0.317908 0.059931 31O 5s 0.360210 -0.842777 -0.132167 0.312513 -0.292172 -0.073503 31O 1pz 0.019009 0.048717 0.029876 0.047596 0.034245 0.000634 31O 1px 0.018122 -0.020349 0.079595 -0.007227 -0.043040 0.053438 31O 1py 0.044355 -0.046894 0.027755 0.053386 -0.019471 0.058321 31O 2pz 0.091709 0.029735 0.130596 0.051102 0.007042 0.029504 31O 2px 0.005941 -0.031414 0.159809 -0.020945 -0.092418 0.106177 31O 2py 0.114688 0.027713 -0.023096 0.141836 0.033387 0.037658 31O 3pz 0.096698 0.081037 -0.318504 0.068556 -0.409608 -0.029269 31O 3px -0.157799 0.446168 -0.803946 0.102769 1.017153 -0.593933 31O 3py -0.416768 -0.421600 0.338619 -0.551259 0.203860 0.163933 31O 1dz2 -0.006228 0.003010 0.003500 0.001127 -0.002205 0.002876 31O 1dxz 0.002647 0.003001 0.001211 0.000271 -0.005827 -0.000031 31O 1dyz 0.003604 0.003603 -0.001539 0.000850 -0.003290 -0.001640 31O 1dx2y2 -0.001432 0.001908 -0.003134 0.002664 0.003569 0.000080 31O 1dxy 0.000356 -0.003798 0.000473 -0.001313 0.004490 0.000328 31O 2dz2 -0.029612 -0.006250 -0.010030 0.001087 0.008738 -0.009991 31O 2dxz -0.026237 0.021140 -0.036228 0.017256 0.027264 -0.018553 31O 2dyz -0.010366 0.017806 0.002350 -0.008729 0.007188 -0.027287 31O 2dx2y2 -0.023309 -0.000583 0.007817 0.000701 0.004967 0.001521 31O 2dxy -0.001300 -0.046883 0.027805 0.003242 -0.028716 0.020874 31O 1f0 -0.000235 0.001385 0.000358 -0.000197 0.000260 0.000554 31O 1f+1 -0.001818 0.001109 0.000333 0.000857 -0.000515 0.001696 31O 1f-1 -0.000360 0.000101 0.000291 -0.001878 -0.000236 -0.000273 31O 1f+2 0.001267 -0.000632 0.001530 -0.001162 -0.000596 0.000696 31O 1f-2 0.001545 -0.001369 0.000828 0.000123 0.000226 0.001276 31O 1f+3 0.000294 0.000438 0.000169 0.000422 -0.000580 -0.001161 31O 1f-3 -0.001102 -0.001676 0.002067 0.001733 -0.000464 0.002131 32O 1s -0.001216 0.005562 0.003503 -0.003183 0.007101 0.004014 32O 2s -0.002830 0.011322 0.010008 -0.006480 0.017526 0.008502 32O 3s 0.000670 0.018154 -0.038332 -0.011234 -0.031531 0.009310 32O 4s 0.058980 -0.299043 0.056681 0.182599 -0.144863 -0.209724 32O 5s -0.248964 0.596177 -0.248276 -0.378322 0.200638 0.473973 32O 1pz -0.014230 0.016569 0.022402 -0.009389 0.028983 0.019587 32O 1px -0.024738 -0.014295 -0.060519 0.025599 -0.107691 -0.021694 32O 1py 0.019398 -0.000151 -0.023210 0.002934 -0.031235 0.010212 32O 2pz -0.019379 0.057140 0.041833 -0.024989 0.053914 0.037735 32O 2px -0.067147 -0.058052 -0.086366 0.063921 -0.208669 -0.039900 32O 2py 0.039711 0.022678 -0.047287 -0.003565 -0.065796 0.001058 32O 3pz 0.141049 -0.256575 -0.216008 0.110645 0.057478 -0.089253 32O 3px 0.181120 0.134609 -0.037765 -0.129847 0.032507 0.028453 32O 3py -0.119194 -0.039072 0.189888 -0.100787 0.466556 0.204537 32O 1dz2 -0.000494 0.000019 -0.000863 0.001018 -0.004732 -0.000739 32O 1dxz 0.001066 -0.001413 -0.000132 0.000041 -0.003506 -0.001027 32O 1dyz -0.001149 0.001524 0.001546 -0.000462 -0.000574 0.000747 32O 1dx2y2 0.000412 -0.001147 0.001402 -0.000177 0.001967 0.000373 32O 1dxy -0.001411 0.002049 -0.000137 0.000248 0.002390 -0.000742 32O 2dz2 0.006022 0.006449 -0.011320 0.006552 -0.014839 -0.014151 32O 2dxz -0.007910 -0.005093 -0.001264 -0.007345 0.005255 0.007890 32O 2dyz 0.001770 -0.001629 -0.001551 0.003235 0.009639 0.001769 32O 2dx2y2 -0.026107 -0.019691 -0.001071 0.006856 -0.044994 -0.001900 32O 2dxy 0.008632 -0.000996 -0.000199 -0.010919 -0.018903 0.005595 32O 1f0 0.000247 0.001081 0.000800 -0.000281 0.001100 0.000054 32O 1f+1 0.000344 -0.000053 -0.000350 0.000312 -0.000782 -0.000472 32O 1f-1 -0.000137 0.000612 -0.000190 0.000279 -0.000262 -0.000274 32O 1f+2 -0.000553 -0.001159 -0.000792 -0.000132 -0.000477 0.000540 32O 1f-2 -0.000695 -0.000317 -0.000453 0.000139 0.000314 -0.000136 32O 1f+3 0.001155 0.000386 -0.000688 -0.000049 0.000381 -0.000155 32O 1f-3 0.000477 0.000919 -0.000472 0.000691 0.000162 -0.001013 33O 1s -0.001324 0.003066 0.003205 0.002267 0.008967 -0.000669 33O 2s -0.002940 0.006375 0.007846 0.004992 0.020580 -0.003317 33O 3s 0.001901 0.004799 -0.017672 -0.000955 -0.007893 0.037572 33O 4s 0.038615 -0.057985 -0.019462 -0.108756 -0.229287 -0.118246 33O 5s -0.054320 0.288659 0.190997 0.660415 -0.317975 -0.664845 33O 1pz 0.015524 -0.051967 -0.040870 -0.029554 0.015412 0.039283 33O 1px 0.002342 0.024406 0.073041 -0.039502 -0.015019 -0.084785 33O 1py -0.010872 -0.014868 0.024688 0.067201 -0.013639 0.034434 33O 2pz 0.004305 -0.017007 0.024016 -0.046742 -0.006530 -0.028235 33O 2px 0.038871 0.043776 0.113982 -0.100890 -0.036011 -0.118801 33O 2py -0.078036 0.041485 0.100611 0.125650 -0.056702 0.014427 33O 3pz 0.133918 -0.381707 -0.147904 0.357038 -0.380841 -0.296998 33O 3px 0.101511 -0.178966 -0.701659 -0.114329 0.685299 1.108282 33O 3py 0.146509 -0.384315 -0.530249 -0.196052 0.201635 0.253088 33O 1dz2 -0.006332 0.002522 0.003787 -0.002586 -0.000531 -0.000393 33O 1dxz 0.000503 -0.003557 0.000451 0.001176 -0.004549 -0.003504 33O 1dyz 0.004330 0.002547 0.000321 0.001455 -0.001482 -0.000174 33O 1dx2y2 0.000344 0.001668 -0.001661 -0.002029 0.004364 0.001390 33O 1dxy -0.003124 -0.000892 -0.001720 -0.001124 0.001680 0.000686 33O 2dz2 -0.015681 0.018216 -0.002083 0.012830 -0.003370 -0.019764 33O 2dxz 0.003589 -0.009583 -0.047790 -0.013422 0.023641 0.056214 33O 2dyz 0.022935 -0.005662 -0.009348 0.005908 0.009830 -0.037722 33O 2dx2y2 -0.025344 0.020415 0.015396 0.008273 -0.008818 -0.025421 33O 2dxy 0.012897 -0.017229 -0.002697 0.004089 0.010618 0.009447 33O 1f0 0.000431 0.000852 -0.001756 -0.002759 0.001103 0.000371 33O 1f+1 -0.001779 0.000160 -0.000434 -0.001100 -0.000265 0.000803 33O 1f-1 -0.000409 -0.000288 -0.000689 0.000215 -0.000831 0.001388 33O 1f+2 -0.001639 -0.000530 0.001725 0.000477 -0.000157 -0.003557 33O 1f-2 0.001121 0.000389 0.000392 0.000160 -0.000948 0.001566 33O 1f+3 -0.001350 -0.000205 0.000779 -0.000045 -0.000710 -0.001523 33O 1f-3 0.002363 -0.000381 -0.000220 0.001366 -0.000700 0.000567 34O 1s 0.001846 -0.000894 -0.001578 0.004144 -0.008494 -0.002881 34O 2s 0.002684 -0.000544 -0.003710 0.009726 -0.019076 -0.005969 34O 3s 0.023621 -0.023612 0.002793 -0.011254 -0.001064 -0.003271 34O 4s -0.228594 0.269476 -0.121452 -0.056005 0.268364 0.067138 34O 5s 1.388355 -2.695840 1.940155 -0.383771 -0.017722 0.573246 34O 1pz -0.018654 0.008931 0.007014 0.075064 0.023394 0.010291 34O 1px -0.021956 0.002145 -0.029474 0.022853 -0.020002 -0.033876 34O 1py 0.001324 -0.071615 0.029681 0.006997 0.001806 0.044208 34O 2pz -0.069041 0.027800 -0.032577 0.154214 0.084399 -0.009349 34O 2px 0.015042 -0.067495 -0.011076 0.059019 -0.025210 -0.111775 34O 2py -0.063840 -0.144147 0.111221 -0.033227 -0.047379 0.121373 34O 3pz -0.066527 -0.040963 0.229658 -0.358067 -0.462906 0.406561 34O 3px 0.542443 -1.131991 1.519009 -0.260748 0.831872 0.629266 34O 3py -0.010137 0.746964 -1.045072 0.591254 0.184118 -0.457296 34O 1dz2 0.003860 -0.002531 0.005589 -0.000131 0.003069 0.000352 34O 1dxz 0.004432 -0.001245 -0.000088 -0.000751 0.003824 -0.003159 34O 1dyz -0.002439 0.002382 -0.000628 0.001766 0.000869 -0.002334 34O 1dx2y2 0.000013 0.003019 -0.008962 0.000262 -0.006209 -0.002301 34O 1dxy 0.005178 -0.004994 0.006265 -0.005066 -0.000587 -0.000923 34O 2dz2 0.029254 0.051429 -0.019869 0.014592 -0.010266 -0.020720 34O 2dxz 0.010311 -0.007885 -0.007069 -0.004501 0.004078 -0.006605 34O 2dyz -0.020647 0.018804 -0.030403 0.007797 0.022396 -0.028993 34O 2dx2y2 0.038720 -0.016500 0.030828 0.017337 0.025096 -0.003387 34O 2dxy -0.015740 0.042169 -0.032997 -0.002210 -0.009884 -0.017946 34O 1f0 0.000490 0.000093 -0.000291 0.000164 0.000541 -0.000512 34O 1f+1 0.000522 0.002174 -0.001847 0.000869 -0.000284 0.000147 34O 1f-1 -0.000241 0.000083 -0.000110 -0.000466 -0.000024 -0.000422 34O 1f+2 -0.001419 0.002770 -0.002214 0.000978 -0.000601 -0.001308 34O 1f-2 -0.000183 0.000817 -0.001293 0.000006 0.000164 -0.001807 34O 1f+3 0.000082 0.001681 -0.002479 -0.002388 -0.000639 0.000036 34O 1f-3 0.002564 -0.001955 0.001250 -0.000424 -0.000652 -0.000078 35O 1s 0.003177 -0.001054 -0.000979 0.001015 -0.009147 -0.004476 35O 2s 0.006721 -0.003909 -0.002603 0.002330 -0.020996 -0.009536 35O 3s 0.004856 0.030081 0.005777 -0.000866 0.009153 -0.009345 35O 4s -0.144491 -0.177493 -0.159399 -0.019561 0.211664 0.285690 35O 5s 0.537655 1.923837 2.227235 -0.048626 0.504025 -2.028162 35O 1pz -0.015034 -0.055674 -0.045494 -0.038106 -0.002345 0.015714 35O 1px -0.017339 0.001931 -0.046241 -0.032301 -0.027832 0.023470 35O 1py 0.014400 -0.068797 0.024561 0.026129 -0.020664 0.038528 35O 2pz -0.023576 -0.132989 -0.145603 -0.043407 0.036590 0.054671 35O 2px -0.009295 0.027083 -0.030649 -0.048515 -0.046660 0.007326 35O 2py 0.105975 -0.146191 0.055252 0.043894 -0.030684 0.035166 35O 3pz -0.148861 0.757758 0.882436 -0.119693 -0.043018 -0.516197 35O 3px 0.299220 0.513143 1.526375 -0.098517 0.991942 -0.807605 35O 3py -0.036919 0.613819 0.737026 -0.050511 0.384002 -0.283657 35O 1dz2 0.004082 0.003174 0.004988 -0.000376 0.004247 -0.003263 35O 1dxz 0.002846 -0.005195 -0.005305 0.002479 -0.000626 0.004364 35O 1dyz -0.001456 0.000242 -0.000808 0.000634 -0.000112 -0.000619 35O 1dx2y2 0.002908 0.000801 -0.008561 0.004702 -0.006799 0.000670 35O 1dxy -0.004626 -0.000939 -0.006565 -0.000569 -0.004444 -0.000454 35O 2dz2 0.027234 0.002169 0.007809 -0.029671 -0.024664 -0.018306 35O 2dxz 0.016660 0.016239 0.013248 0.005877 0.006966 -0.008322 35O 2dyz -0.026689 0.035449 0.026161 0.008737 -0.001662 -0.029247 35O 2dx2y2 0.027994 0.004035 0.037486 -0.002346 0.008901 -0.027457 35O 2dxy 0.015783 0.020030 0.048637 -0.010418 0.019050 -0.040122 35O 1f0 0.000483 -0.001040 -0.000526 0.000016 0.000235 0.000094 35O 1f+1 0.000747 0.000223 -0.002536 -0.001579 0.000454 0.000220 35O 1f-1 -0.000392 0.002280 0.000862 -0.000578 0.000859 -0.000982 35O 1f+2 0.000492 -0.000136 -0.001252 -0.000672 -0.000423 0.000125 35O 1f-2 -0.000103 0.001672 0.001091 0.000446 0.000082 -0.001451 35O 1f+3 0.001457 0.000131 -0.002296 0.001307 -0.000546 0.000689 35O 1f-3 -0.001455 -0.000788 -0.001964 -0.000663 0.000267 0.002828 240 241 242 243 244 245 0.76860 0.77504 0.78175 0.78369 0.79526 0.81268 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s -0.003417 -0.000556 -0.000049 0.003581 0.000091 -0.003830 0Rh 2s 0.013460 -0.000014 0.000075 -0.007494 -0.001186 0.006958 0Rh 3s -0.011632 -0.003252 -0.000240 0.016277 -0.000199 -0.018063 0Rh 4s -0.061368 0.001005 -0.000316 0.031279 0.005755 -0.028221 0Rh 5s 0.055587 -0.020293 -0.000671 0.030641 -0.012308 -0.046894 0Rh 6s 0.110296 0.083024 0.005327 -0.303150 0.019808 0.351238 0Rh 7s -0.615860 -0.424212 0.007133 1.400376 -0.103699 -1.412778 0Rh 8s -1.274987 -0.984288 -0.321121 0.344491 -0.088176 0.384147 0Rh 1pz -0.005484 -0.003507 -0.009567 0.002442 -0.007989 -0.005553 0Rh 1px 0.010402 0.010542 -0.000861 -0.007991 0.001815 0.017286 0Rh 1py -0.001580 0.007986 0.002799 0.000800 -0.007223 -0.000944 0Rh 2pz 0.018995 0.012023 0.032838 -0.008441 0.027546 0.018513 0Rh 2px -0.035931 -0.035716 0.003083 0.026863 -0.006033 -0.058512 0Rh 2py 0.005417 -0.027574 -0.009649 -0.002671 0.025362 0.003421 0Rh 3pz -0.017453 -0.008323 -0.023190 0.007109 -0.021769 -0.002109 0Rh 3px 0.031594 0.016177 -0.004628 -0.007609 0.000257 0.024349 0Rh 3py -0.003457 0.022835 0.007637 0.000458 -0.029082 -0.006038 0Rh 4pz -0.023773 -0.028029 -0.076049 0.016321 -0.055587 -0.085890 0Rh 4px 0.046501 0.116935 0.001919 -0.108736 0.030141 0.206209 0Rh 4py -0.015708 0.050174 0.018831 0.011050 -0.015323 0.007391 0Rh 5pz -0.038365 0.022631 0.058104 -0.037272 0.048528 0.108099 0Rh 5px 0.105699 -0.115949 -0.006711 0.151741 -0.044933 -0.275259 0Rh 5py 0.025184 -0.024156 -0.007259 -0.002587 -0.019291 -0.035299 0Rh 6pz 0.435837 -0.569873 -0.216009 2.127616 -1.153280 0.308511 0Rh 6px -1.659421 -0.359709 -0.146858 -0.658796 0.208878 2.016538 0Rh 6py 0.422663 0.546529 0.012444 -0.807904 -2.297698 -0.005848 0Rh 1dz2 -0.011467 -0.017807 0.055757 -0.012215 0.003018 0.024127 0Rh 1dxz -0.020216 -0.003102 0.031166 -0.026531 -0.000261 -0.010711 0Rh 1dyz -0.002267 0.008655 -0.030130 -0.000682 0.002191 -0.002295 0Rh 1dx2y2 0.029678 -0.005940 0.045999 -0.012633 -0.009950 -0.033393 0Rh 1dxy -0.000236 -0.001650 0.002297 0.017296 0.013653 -0.011930 0Rh 2dz2 0.000753 0.003669 -0.011946 0.002333 0.000088 -0.005714 0Rh 2dxz 0.001420 0.001300 -0.007092 0.006736 0.000417 0.001494 0Rh 2dyz 0.000530 -0.002562 0.006159 0.000450 0.002375 0.000633 0Rh 2dx2y2 -0.001342 0.000509 -0.010173 0.001821 0.001632 0.008936 0Rh 2dxy 0.002209 0.000050 -0.000622 -0.004178 -0.002122 0.003548 0Rh 3dz2 0.019843 0.020216 -0.061926 0.014668 -0.006570 -0.024319 0Rh 3dxz 0.034767 0.000692 -0.032912 0.024860 -0.001183 0.015639 0Rh 3dyz 0.002311 -0.006575 0.034763 -0.000640 -0.014565 0.001881 0Rh 3dx2y2 -0.053980 0.010020 -0.049716 0.017934 0.013102 0.029212 0Rh 3dxy -0.008996 0.003121 -0.002023 -0.016918 -0.018395 0.009035 0Rh 4dz2 0.016873 0.068300 -0.216436 0.043825 0.002251 -0.102726 0Rh 4dxz 0.032115 0.022114 -0.126295 0.117248 0.005086 0.030305 0Rh 4dyz 0.009807 -0.044046 0.111573 0.006740 0.034903 0.013094 0Rh 4dx2y2 -0.037831 0.009711 -0.183480 0.037100 0.031459 0.157166 0Rh 4dxy 0.034245 0.001617 -0.011611 -0.074238 -0.042825 0.061657 0Rh 5dz2 0.057768 -0.155463 0.455967 -0.064329 -0.129386 0.245585 0Rh 5dxz 0.101942 -0.102310 0.276540 -0.289167 -0.003370 -0.058525 0Rh 5dyz -0.059147 0.153035 -0.195110 -0.027324 -0.335316 -0.104174 0Rh 5dx2y2 -0.192278 0.077468 0.406587 -0.079642 -0.055761 -0.432664 0Rh 5dxy -0.204989 0.033648 0.046787 0.183082 0.051957 -0.201934 0Rh 1f0 0.007127 -0.013012 0.000782 -0.002678 0.001026 -0.003419 0Rh 1f+1 -0.004764 0.008794 -0.004520 -0.005486 0.003184 -0.007270 0Rh 1f-1 -0.002121 0.001744 -0.001361 0.002354 0.002641 -0.000146 0Rh 1f+2 -0.011420 0.015992 -0.000249 -0.003294 0.006442 -0.001885 0Rh 1f-2 -0.002624 0.006677 0.005919 -0.000141 -0.007000 0.002860 0Rh 1f+3 -0.013752 0.014323 0.009367 0.000388 0.010025 -0.002345 0Rh 1f-3 0.002112 0.007285 0.003465 -0.000195 0.003399 -0.001466 1Rh 1s -0.003648 -0.000398 -0.000182 -0.003419 0.000160 0.004030 1Rh 2s 0.013900 -0.000434 0.000321 0.006898 -0.001261 -0.007358 1Rh 3s -0.012713 -0.002591 -0.000867 -0.015699 0.000153 0.018985 1Rh 4s -0.063158 0.002838 -0.001314 -0.028579 0.006007 0.029885 1Rh 5s 0.052927 -0.020245 -0.002260 -0.032708 -0.010795 0.048823 1Rh 6s 0.131596 0.072696 0.017487 0.296598 0.012181 -0.369253 1Rh 7s -0.706870 -0.355846 -0.040852 -1.360940 -0.084346 1.531968 1Rh 8s -1.347483 -1.015063 -0.340819 -0.284667 -0.075388 -0.350745 1Rh 1pz 0.005426 0.003493 0.009776 0.001750 0.007817 -0.008464 1Rh 1px -0.010907 -0.010857 0.000388 -0.007660 -0.001172 0.017398 1Rh 1py 0.000745 -0.008262 -0.002760 0.001258 0.007298 -0.001034 1Rh 2pz -0.018834 -0.011986 -0.033548 -0.006053 -0.026968 0.028497 1Rh 2px 0.037623 0.036799 -0.001487 0.025730 0.003853 -0.058850 1Rh 2py -0.002577 0.028530 0.009522 -0.004263 -0.025629 0.003714 1Rh 3pz 0.018053 0.008517 0.023563 0.005130 0.021616 -0.008853 1Rh 3px -0.032031 -0.016996 0.004034 -0.006769 0.000735 0.023656 1Rh 3py 0.001975 -0.023635 -0.007671 0.001973 0.029442 -0.005876 1Rh 4pz 0.020682 0.027011 0.078197 0.012102 0.053176 -0.110756 1Rh 4px -0.053461 -0.119049 -0.007783 -0.106734 -0.022946 0.210509 1Rh 4py 0.007098 -0.051848 -0.018083 0.013133 0.015337 0.005166 1Rh 5pz 0.041427 -0.020198 -0.060803 -0.036660 -0.044822 0.133553 1Rh 5px -0.095768 0.115419 0.014407 0.154931 0.037040 -0.280644 1Rh 5py -0.020842 0.023921 0.006829 -0.002303 0.018738 -0.031899 1Rh 6pz -0.202566 0.542651 0.269660 2.111762 1.155840 -0.002256 1Rh 6px 1.588422 0.435435 0.115912 -0.742357 -0.194923 1.919081 1Rh 6py -0.010126 -0.497837 -0.051722 -0.733623 2.367922 0.054678 1Rh 1dz2 -0.014599 -0.017507 0.056385 0.011095 0.002796 -0.021907 1Rh 1dxz -0.016975 -0.002654 0.031755 0.026321 -0.000243 0.010849 1Rh 1dyz -0.000079 0.008687 -0.029986 0.001459 0.001426 0.001027 1Rh 1dx2y2 0.028560 -0.006579 0.045845 0.009704 -0.009041 0.034658 1Rh 1dxy 0.000177 -0.002007 0.001346 -0.016803 0.015180 0.011952 1Rh 2dz2 0.001302 0.003679 -0.012071 -0.002034 0.000168 0.005120 1Rh 2dxz 0.000689 0.001257 -0.007269 -0.006577 0.000430 -0.001523 1Rh 2dyz -0.000128 -0.002528 0.006127 -0.000572 0.002593 -0.000414 1Rh 2dx2y2 -0.001132 0.000525 -0.010113 -0.001376 0.001425 -0.009091 1Rh 2dxy 0.001752 0.000067 -0.000387 0.003994 -0.002453 -0.003497 1Rh 3dz2 0.023831 0.019572 -0.062660 -0.013671 -0.006475 0.022349 1Rh 3dxz 0.031356 -0.000027 -0.033345 -0.025113 -0.001290 -0.015810 1Rh 3dyz 0.000768 -0.006786 0.034610 -0.000416 -0.013955 -0.000238 1Rh 3dx2y2 -0.052612 0.011231 -0.049675 -0.013917 0.012154 -0.031133 1Rh 3dxy -0.007909 0.003761 -0.001111 0.016717 -0.020069 -0.009293 1Rh 4dz2 0.027013 0.068220 -0.218750 -0.038492 0.003693 0.092112 1Rh 4dxz 0.019082 0.021165 -0.129252 -0.114605 0.005301 -0.030723 1Rh 4dyz -0.002766 -0.043511 0.111054 -0.009086 0.038845 -0.008997 1Rh 4dx2y2 -0.034323 0.010508 -0.182452 -0.028502 0.027710 -0.160153 1Rh 4dxy 0.027282 0.002230 -0.007437 0.071092 -0.048785 -0.060981 1Rh 5dz2 0.052070 -0.159690 0.459605 0.049467 -0.136601 -0.210164 1Rh 5dxz 0.130736 -0.102860 0.284275 0.277050 -0.004139 0.059572 1Rh 5dyz 0.013584 0.147598 -0.195562 0.029394 -0.352210 0.100236 1Rh 5dx2y2 -0.188318 0.080278 0.403787 0.069689 -0.048209 0.425332 1Rh 5dxy -0.158192 0.033894 0.035546 -0.171994 0.063849 0.197643 1Rh 1f0 -0.007078 0.013106 -0.000807 -0.002525 -0.000738 -0.004571 1Rh 1f+1 0.004246 -0.008678 0.004511 -0.005745 -0.003208 -0.006553 1Rh 1f-1 0.003245 -0.001783 0.001398 0.002152 -0.002407 0.000926 1Rh 1f+2 0.011159 -0.016164 0.000100 -0.003768 -0.006376 -0.000966 1Rh 1f-2 0.003689 -0.006660 -0.005961 0.000047 0.006857 0.003376 1Rh 1f+3 0.013125 -0.014393 -0.009305 0.000085 -0.009842 -0.000944 1Rh 1f-3 -0.002549 -0.007104 -0.003420 0.000254 -0.003714 -0.001054 2C 1s -0.001238 -0.000530 -0.000299 -0.003835 -0.004442 -0.002499 2C 2s -0.006069 -0.002628 -0.001148 -0.010689 -0.013784 -0.004900 2C 3s 0.140067 0.048815 0.017634 0.036870 0.058447 -0.087574 2C 4s -0.531550 -0.220920 -0.158836 0.048623 -0.217220 0.540388 2C 5s 1.666596 -0.482559 1.120819 3.223366 5.487526 4.152633 2C 1pz 0.038194 0.005083 0.000414 0.042514 0.043661 0.013049 2C 1px -0.012242 -0.003992 0.008987 0.001702 -0.035581 -0.010505 2C 1py 0.033442 0.009120 0.000759 0.016088 0.023552 0.009356 2C 2pz -0.113144 -0.108957 -0.040775 0.202172 0.162183 0.293049 2C 2px -0.239197 -0.052551 0.033360 -0.042390 -0.181572 0.070641 2C 2py 0.001184 -0.075552 0.004675 -0.054621 0.123358 0.193251 2C 3pz 0.599162 -0.212086 -0.051649 0.734096 0.957040 0.709052 2C 3px -0.372891 -0.190186 -0.011911 -0.439155 0.409191 0.736113 2C 3py 0.277538 0.266304 0.563244 0.908366 0.992166 0.932535 2C 1dz2 0.000230 -0.004895 0.002163 -0.002200 0.001574 0.001007 2C 1dxz 0.000159 -0.001750 0.001064 -0.004016 -0.002044 0.001708 2C 1dyz -0.001341 0.001575 -0.001275 0.004582 0.002670 0.003491 2C 1dx2y2 0.002480 -0.002416 0.001122 -0.002202 -0.000412 -0.003302 2C 1dxy 0.000449 -0.001055 0.001250 0.000520 0.000812 0.001243 2C 2dz2 0.112153 0.063695 -0.284072 -0.164636 -0.082805 -0.114017 2C 2dxz 0.183982 0.112193 -0.044904 -0.018129 0.447514 0.065549 2C 2dyz -0.103583 -0.108775 0.197313 0.072828 -0.020454 0.134755 2C 2dx2y2 -0.102711 0.066544 -0.130536 -0.255426 -0.058439 -0.005050 2C 2dxy -0.004088 -0.088067 -0.093154 -0.075704 0.198459 -0.005618 2C 1f0 -0.002885 0.009751 -0.010478 -0.004579 -0.008427 0.000313 2C 1f+1 -0.002326 0.000015 -0.000805 0.003317 0.004279 0.001735 2C 1f-1 -0.002667 -0.002065 -0.001001 0.004135 0.008807 0.008590 2C 1f+2 0.009509 0.006927 -0.006435 -0.001397 0.004527 -0.005911 2C 1f-2 -0.001937 0.003161 -0.002399 0.000357 0.013463 0.007314 2C 1f+3 0.006341 0.002978 -0.000276 -0.004048 0.004052 -0.001861 2C 1f-3 -0.003722 -0.007345 0.005949 -0.000130 -0.009717 -0.001217 3C 1s 0.000819 -0.002675 -0.000786 -0.006501 0.003290 -0.003169 3C 2s 0.000142 -0.009254 -0.002458 -0.016840 0.009985 -0.008309 3C 3s 0.124546 0.071743 0.019171 -0.002330 -0.044877 -0.009261 3C 4s -0.697536 -0.218595 0.058005 0.459484 0.173023 0.147689 3C 5s -0.356300 1.989692 -0.957069 4.972479 -4.693268 3.608945 3C 1pz 0.008365 0.029075 0.017577 0.056015 -0.045683 0.044833 3C 1px 0.002432 -0.005633 -0.016473 0.028069 0.011623 -0.016068 3C 1py 0.000296 -0.029697 -0.003832 -0.024507 0.021212 -0.017312 3C 2pz -0.080047 0.089058 0.054248 0.416950 -0.230746 0.278818 3C 2px -0.068801 -0.086893 -0.067185 0.163163 0.029765 0.069856 3C 2py 0.280309 0.039131 0.026195 -0.182669 0.079478 -0.124654 3C 3pz -0.139933 0.874996 -0.310598 0.607005 -0.535996 0.210456 3C 3px 0.034679 0.347757 -0.121781 0.139815 -0.510687 0.794676 3C 3py 0.101963 -0.138564 -0.049091 -1.488260 0.942545 -0.653333 3C 1dz2 -0.000780 0.001910 0.003121 -0.003316 0.002569 -0.000869 3C 1dxz -0.001845 0.000935 0.000955 -0.002267 0.002113 -0.000228 3C 1dyz 0.003497 -0.002610 -0.000966 -0.002166 0.002003 -0.000104 3C 1dx2y2 -0.000267 0.002051 0.002365 -0.004648 0.001656 -0.001261 3C 1dxy 0.001797 0.000632 -0.000709 -0.001422 0.000286 -0.000534 3C 2dz2 -0.088210 0.063357 -0.318636 -0.124675 0.093886 -0.137122 3C 2dxz -0.002386 0.085617 -0.056915 -0.078497 -0.175320 0.024568 3C 2dyz 0.066626 0.185385 0.219840 0.082804 -0.097694 0.143610 3C 2dx2y2 -0.040390 -0.047677 -0.192815 -0.250392 0.052512 -0.109836 3C 2dxy -0.056406 -0.193852 0.014204 -0.017975 0.208392 -0.220818 3C 1f0 -0.000452 -0.004950 -0.006373 -0.010385 0.004947 -0.009687 3C 1f+1 -0.002738 -0.007546 -0.009459 0.000514 0.005114 -0.006684 3C 1f-1 0.000032 0.007154 0.015877 0.005993 0.000873 0.006796 3C 1f+2 0.013368 -0.000699 0.000981 -0.007880 0.000510 -0.003320 3C 1f-2 0.007481 -0.001206 0.004561 -0.007119 0.003863 -0.005037 3C 1f+3 -0.002643 0.003051 -0.000413 -0.001847 -0.008263 0.004352 3C 1f-3 0.002638 0.005564 -0.000265 -0.002356 -0.008859 0.006386 4C 1s 0.008101 -0.005213 -0.002896 0.011312 0.009422 0.009879 4C 2s 0.025092 -0.011844 -0.006882 0.027317 0.020903 0.022302 4C 3s -0.501713 -0.076765 -0.001449 -0.117880 -0.111660 0.067093 4C 4s 2.947024 1.095870 0.317544 0.486547 0.613045 -0.779159 4C 5s 1.888664 0.912367 -0.352514 -1.065482 -1.232605 -3.251386 4C 1pz -0.093591 -0.025050 0.016462 -0.035491 -0.007828 0.021314 4C 1px -0.027298 -0.020153 0.016895 0.022667 -0.110522 -0.039477 4C 1py -0.068983 0.043397 -0.020227 -0.045513 -0.020703 -0.019731 4C 2pz 0.435759 0.148912 0.034035 -0.165287 0.269155 0.189136 4C 2px -0.006616 -0.113210 0.135663 0.390319 -0.421737 -0.727683 4C 2py 0.251982 0.031857 0.048000 0.078610 0.005148 -0.144910 4C 3pz 1.776726 0.404158 0.546884 2.295337 3.440879 2.842067 4C 3px 0.905262 0.053850 -0.024797 1.498657 -1.580322 -0.928276 4C 3py 1.388064 -1.062480 0.028662 1.175141 1.166945 1.052543 4C 1dz2 -0.005561 -0.009872 0.015884 0.010048 0.013900 0.013898 4C 1dxz -0.009784 -0.009301 0.005590 0.005864 -0.008966 0.001744 4C 1dyz 0.008476 0.005115 -0.008266 0.000975 0.011595 0.005850 4C 1dx2y2 0.011068 0.002549 0.013972 0.007229 -0.005373 -0.003500 4C 1dxy 0.006308 0.001143 0.000567 0.007619 -0.006015 -0.004857 4C 2dz2 -0.051976 0.233929 -0.206719 -0.057006 -0.175425 -0.036431 4C 2dxz -0.197452 0.044646 0.024765 0.070561 -0.120411 -0.144266 4C 2dyz 0.162674 -0.041266 0.150771 -0.168526 -0.175124 -0.231992 4C 2dx2y2 0.228267 0.241900 -0.029899 0.063265 0.215947 -0.020846 4C 2dxy 0.135653 0.006868 -0.042494 0.073741 0.127512 -0.289055 4C 1f0 -0.019163 -0.009216 0.001886 0.004126 -0.001290 0.009922 4C 1f+1 -0.040743 -0.014703 0.003321 0.001023 -0.017160 0.011084 4C 1f-1 -0.014167 -0.004603 -0.001691 -0.006174 -0.001273 0.013130 4C 1f+2 0.034356 0.012186 0.001129 0.002561 0.004949 -0.004280 4C 1f-2 -0.007307 -0.000148 -0.000086 0.001573 -0.005398 -0.010269 4C 1f+3 0.001762 -0.003387 -0.000372 -0.002449 -0.001595 0.004701 4C 1f-3 -0.026272 0.000273 -0.009419 -0.011296 -0.009147 0.017657 5C 1s -0.001759 0.001152 0.001847 0.015906 -0.012041 0.004967 5C 2s 0.002486 0.002237 0.004673 0.036839 -0.028330 0.010723 5C 3s -0.424453 -0.122553 -0.068659 -0.097054 0.133982 -0.020761 5C 4s 2.669290 1.287910 0.341385 0.253721 -0.372707 0.193876 5C 5s 1.887267 0.521839 0.963634 -1.697012 1.061436 -1.209680 5C 1pz -0.034997 0.030379 0.018708 -0.021664 0.024219 0.047455 5C 1px -0.026979 -0.035833 0.026678 0.017837 0.053413 -0.043093 5C 1py 0.047482 0.042524 0.040882 0.049358 -0.025665 0.003907 5C 2pz 0.279505 0.140694 0.011344 -0.108337 -0.201566 0.345083 5C 2px 0.055714 -0.189811 0.035247 0.497660 0.368186 -0.730252 5C 2py -0.439679 -0.184925 -0.004094 0.019310 0.173211 -0.289446 5C 3pz 0.307768 0.165852 -0.065133 2.260591 -2.206920 1.864421 5C 3px -0.781483 -0.587654 -0.234573 2.293409 0.794704 -1.501214 5C 3py 0.002869 -2.173650 -0.094054 -3.268337 2.535188 -2.251826 5C 1dz2 -0.002981 -0.002865 0.017835 0.002281 -0.002329 0.006239 5C 1dxz -0.010290 -0.005104 0.007106 0.006724 0.000789 -0.001758 5C 1dyz -0.007776 -0.009189 -0.012541 -0.011771 0.011894 -0.012207 5C 1dx2y2 0.016195 -0.001647 0.012100 -0.000528 0.011847 -0.006976 5C 1dxy 0.007532 0.004341 0.003657 -0.011971 -0.002768 0.005156 5C 2dz2 -0.155159 -0.183722 -0.280966 0.120070 -0.074078 0.079523 5C 2dxz -0.068081 -0.188614 -0.041625 -0.045084 0.103990 -0.219532 5C 2dyz -0.292089 0.049558 0.100612 0.228786 -0.008595 0.058229 5C 2dx2y2 0.113961 0.082999 -0.063579 0.335862 -0.260577 0.096059 5C 2dxy -0.071961 0.021695 0.039147 0.040788 -0.109132 0.203663 5C 1f0 -0.005327 -0.000612 0.002045 0.005674 0.006883 -0.004923 5C 1f+1 -0.019124 -0.004156 0.003815 -0.002991 0.004853 0.005780 5C 1f-1 0.001174 -0.000703 -0.000989 -0.002673 0.004479 -0.010746 5C 1f+2 0.007843 0.000461 -0.001442 -0.000873 -0.001260 -0.005432 5C 1f-2 0.027051 0.014061 0.002550 -0.007941 -0.010003 0.011399 5C 1f+3 -0.030815 -0.014244 -0.008212 -0.004240 0.006715 -0.003911 5C 1f-3 0.034939 0.015313 0.013087 0.007528 -0.006074 -0.001772 6C 1s 0.000841 0.001266 0.001198 -0.015912 -0.011443 -0.004567 6C 2s 0.009034 0.002542 0.003140 -0.037108 -0.026943 -0.009713 6C 3s -0.462897 -0.124316 -0.063276 0.117345 0.134185 0.025796 6C 4s 2.826100 1.293729 0.326461 -0.389557 -0.393010 -0.297091 6C 5s 1.740413 0.447840 0.995566 1.649850 0.953280 1.405474 6C 1pz 0.051421 -0.029216 -0.020221 -0.022132 -0.022610 0.044795 6C 1px 0.025695 0.033663 -0.025879 0.015711 -0.052225 -0.049263 6C 1py -0.061167 -0.042784 -0.038385 0.052638 0.025343 -0.000481 6C 2pz -0.286468 -0.136844 -0.017320 -0.089482 0.207948 0.371064 6C 2px -0.036071 0.172653 -0.014102 0.488714 -0.380936 -0.752767 6C 2py 0.427661 0.182774 0.008366 -0.004003 -0.181181 -0.319311 6C 3pz -0.314973 -0.196157 0.120503 2.328368 2.156028 2.055790 6C 3px 0.354177 0.581866 0.338928 2.197522 -0.832771 -1.614003 6C 3py 0.519304 2.235308 -0.017194 -3.344703 -2.415624 -2.370038 6C 1dz2 -0.006732 -0.003147 0.017978 -0.002622 -0.002687 -0.005050 6C 1dxz -0.011650 -0.005172 0.006902 -0.006224 0.000854 0.002352 6C 1dyz -0.006989 -0.009124 -0.012281 0.012785 0.011732 0.013008 6C 1dx2y2 0.015545 -0.001744 0.012132 -0.000087 0.011387 0.007751 6C 1dxy 0.006161 0.004170 0.004138 0.011265 -0.003021 -0.006369 6C 2dz2 -0.146932 -0.187605 -0.284959 -0.105738 -0.069923 -0.079683 6C 2dxz -0.110482 -0.187067 -0.038723 0.052605 0.106170 0.199341 6C 2dyz -0.288914 0.053708 0.092900 -0.220112 0.004886 -0.044887 6C 2dx2y2 0.082592 0.085195 -0.073554 -0.342652 -0.255389 -0.128473 6C 2dxy -0.055407 0.015778 0.038510 -0.036747 -0.110848 -0.216941 6C 1f0 0.006847 0.000439 -0.001859 0.005458 -0.007242 -0.005404 6C 1f+1 0.019761 0.004616 -0.003999 -0.003865 -0.004727 0.004534 6C 1f-1 -0.001778 0.000502 0.000992 -0.002704 -0.004672 -0.010636 6C 1f+2 -0.010082 -0.000366 0.001604 -0.000531 0.001291 -0.005037 6C 1f-2 -0.030761 -0.013815 -0.002714 -0.006562 0.010686 0.012432 6C 1f+3 0.030060 0.014477 0.008102 -0.005905 -0.007035 -0.005307 6C 1f-3 -0.035426 -0.015259 -0.012744 0.009345 0.006504 -0.001834 7C 1s 0.003723 -0.005655 -0.003014 -0.011387 0.009020 -0.009902 7C 2s 0.014752 -0.012930 -0.007215 -0.027740 0.019992 -0.022300 7C 3s -0.458606 -0.072159 0.002456 0.137887 -0.108753 -0.055850 7C 4s 2.780136 1.091691 0.291590 -0.616887 0.592533 0.657229 7C 5s 2.060446 0.896382 -0.320409 0.958734 -1.151439 3.361982 7C 1pz 0.073390 0.022948 -0.017322 -0.038383 0.007410 0.020814 7C 1px 0.032020 0.017515 -0.016648 0.022481 0.108611 -0.039972 7C 1py 0.063596 -0.044816 0.018784 -0.048805 0.020770 -0.022820 7C 2pz -0.428034 -0.145922 -0.040328 -0.147113 -0.255418 0.208726 7C 2px 0.025594 0.094169 -0.116514 0.396737 0.403625 -0.718862 7C 2py -0.238671 -0.035803 -0.043065 0.091347 -0.003522 -0.125924 7C 3pz -1.020539 -0.351838 -0.513112 2.328937 -3.274863 2.981255 7C 3px -0.383699 -0.068523 0.066021 1.536205 1.510737 -1.035023 7C 3py -0.628255 1.092527 -0.023990 1.204656 -1.085392 1.185723 7C 1dz2 -0.005116 -0.010135 0.015707 -0.010309 0.013626 -0.014244 7C 1dxz -0.010679 -0.009074 0.005420 -0.005723 -0.008530 -0.000552 7C 1dyz 0.005009 0.004959 -0.008015 -0.000956 0.011004 -0.007037 7C 1dx2y2 0.011958 0.002571 0.013486 -0.008326 -0.005059 0.003270 7C 1dxy 0.004951 0.001286 0.000339 -0.007950 -0.005882 0.005136 7C 2dz2 -0.003668 0.234107 -0.207255 0.063508 -0.162823 0.066187 7C 2dxz -0.133184 0.048221 0.017771 -0.067666 -0.111021 0.146747 7C 2dyz 0.210315 -0.038657 0.150142 0.152887 -0.167958 0.229350 7C 2dx2y2 0.218911 0.242950 -0.032327 -0.076103 0.215089 0.005893 7C 2dxy 0.147364 0.010676 -0.046296 -0.072973 0.126030 0.274964 7C 1f0 0.016844 0.009114 -0.001813 0.003475 0.001196 0.009252 7C 1f+1 0.038237 0.014522 -0.003265 -0.000442 0.016507 0.009540 7C 1f-1 0.013634 0.004585 0.001353 -0.006813 0.001300 0.012169 7C 1f+2 -0.032301 -0.011971 -0.001015 0.004151 -0.005230 -0.003693 7C 1f-2 0.006644 -0.000070 0.000228 0.001210 0.005144 -0.010387 7C 1f+3 -0.000254 0.003557 0.000210 -0.002443 0.001511 0.004361 7C 1f-3 0.026958 -0.000081 0.008783 -0.012848 0.009146 0.015804 8C 1s 0.000597 -0.002756 -0.000582 0.006582 0.003066 0.003454 8C 2s -0.000663 -0.009467 -0.001918 0.017215 0.009446 0.009294 8C 3s 0.133334 0.073141 0.019017 -0.005905 -0.046201 0.000094 8C 4s -0.715975 -0.231628 0.039620 -0.416306 0.194514 -0.077994 8C 5s 0.204884 2.144908 -1.084873 -5.088243 -4.537777 -4.130973 8C 1pz -0.013477 -0.028752 -0.015522 0.057770 0.044828 0.047168 8C 1px -0.002775 0.005662 0.017584 0.026757 -0.013031 -0.022109 8C 1py 0.009585 0.030092 0.002771 -0.025956 -0.020670 -0.021844 8C 2pz 0.079753 -0.083809 -0.040643 0.417377 0.224309 0.281369 8C 2px 0.095756 0.085871 0.070634 0.155237 -0.037146 0.042569 8C 2py -0.262015 -0.036006 -0.031437 -0.171699 -0.069381 -0.132048 8C 3pz -0.141703 -0.901943 0.340030 0.615048 0.497312 0.260191 8C 3px -0.026807 -0.350077 0.119351 0.166464 0.482895 0.838123 8C 3py -0.030369 0.165959 0.008233 -1.507424 -0.908989 -0.747383 8C 1dz2 -0.000217 0.002040 0.003181 0.003252 0.002623 0.001373 8C 1dxz -0.001082 0.000914 0.000966 0.002299 0.002203 0.000462 8C 1dyz 0.002548 -0.002764 -0.000845 0.002112 0.001780 -0.000133 8C 1dx2y2 0.001048 0.002049 0.002435 0.004543 0.001606 0.001550 8C 1dxy 0.001409 0.000746 -0.000647 0.001343 0.000244 0.000471 8C 2dz2 0.003068 0.069344 -0.318510 0.137464 0.100557 0.139802 8C 2dxz 0.022926 0.087767 -0.053993 0.074966 -0.175232 -0.068888 8C 2dyz 0.054982 0.180741 0.217626 -0.094704 -0.101080 -0.143457 8C 2dx2y2 -0.053440 -0.045645 -0.185267 0.254993 0.055274 0.091261 8C 2dxy -0.044611 -0.195349 0.012647 0.031445 0.204066 0.238839 8C 1f0 0.000319 0.004959 0.006147 -0.010705 -0.004991 -0.009574 8C 1f+1 0.002421 0.007573 0.009452 -0.000011 -0.005144 -0.007151 8C 1f-1 0.000477 -0.007110 -0.015741 0.006472 -0.000853 0.005520 8C 1f+2 -0.012482 0.000406 -0.001399 -0.007097 -0.000226 -0.003114 8C 1f-2 -0.008237 0.001360 -0.004652 -0.006912 -0.003559 -0.005293 8C 1f+3 0.002951 -0.003191 0.000344 -0.001656 0.008043 0.005972 8C 1f-3 -0.001910 -0.005653 0.000201 -0.002018 0.008986 0.008021 9C 1s -0.000047 -0.000491 -0.000261 0.003857 -0.004221 0.002844 9C 2s -0.002827 -0.002530 -0.000998 0.010874 -0.013185 0.006075 9C 3s 0.138249 0.048706 0.015305 -0.043462 0.057923 0.078391 9C 4s -0.632122 -0.234372 -0.144240 -0.020179 -0.223718 -0.489586 9C 5s 0.627656 -0.466217 1.037231 -3.235162 5.243079 -4.580369 9C 1pz -0.025178 -0.003830 0.000126 0.043989 -0.042422 0.015776 9C 1px 0.006263 0.003778 -0.007668 0.001630 0.034206 -0.013937 9C 1py -0.020449 -0.008246 -0.000697 0.016874 -0.020888 0.013154 9C 2pz 0.170169 0.112255 0.040323 0.196194 -0.156775 0.292334 9C 2px 0.184593 0.049716 -0.029808 -0.048352 0.178316 0.051757 9C 2py 0.080295 0.080587 -0.010975 -0.060758 -0.103113 0.204028 9C 3pz -0.242137 0.214716 0.063010 0.731929 -0.908829 0.800266 9C 3px 0.301256 0.203026 -0.000425 -0.462326 -0.374182 0.758239 9C 3py -0.158296 -0.255531 -0.533191 0.927115 -0.955945 0.976548 9C 1dz2 -0.000557 -0.004899 0.002296 0.002237 0.001298 -0.001063 9C 1dxz -0.000486 -0.001835 0.001247 0.004020 -0.002055 -0.001978 9C 1dyz -0.001902 0.001539 -0.001388 -0.004437 0.002684 -0.003446 9C 1dx2y2 0.001660 -0.002389 0.001178 0.002176 -0.000494 0.003096 9C 1dxy -0.000050 -0.001123 0.001261 -0.000564 0.000765 -0.001418 9C 2dz2 0.043153 0.063843 -0.277143 0.174956 -0.091598 0.110628 9C 2dxz 0.163841 0.107222 -0.043427 0.015222 0.431588 -0.092719 9C 2dyz -0.062107 -0.106200 0.190915 -0.077583 -0.015557 -0.129328 9C 2dx2y2 -0.083182 0.069583 -0.123390 0.262993 -0.062002 0.007341 9C 2dxy 0.013083 -0.088511 -0.088524 0.084341 0.194948 -0.011710 9C 1f0 0.004373 -0.009873 0.010510 -0.005189 0.008278 -0.000595 9C 1f+1 0.001225 -0.000167 0.000965 0.003099 -0.003904 0.001889 9C 1f-1 0.004832 0.002155 0.000941 0.003938 -0.008346 0.009121 9C 1f+2 -0.010484 -0.006723 0.006215 -0.001217 -0.004245 -0.005676 9C 1f-2 0.003126 -0.003006 0.002195 0.000065 -0.012920 0.008158 9C 1f+3 -0.006354 -0.003115 0.000324 -0.003867 -0.004060 -0.001163 9C 1f-3 0.002836 0.007152 -0.005737 -0.000153 0.009386 -0.001770 10H 1s 0.008262 0.002494 -0.004008 0.015083 -0.011130 -0.016550 10H 2s 0.473251 0.086403 -0.108141 0.182915 0.333766 -0.173780 10H 3s 0.139300 0.155934 -0.080222 0.024622 -0.428696 -0.402750 10H 1pz 0.010847 -0.001713 -0.000710 -0.003976 0.018509 0.000645 10H 1px -0.037584 -0.007844 0.002998 -0.016819 -0.041529 0.007580 10H 1py 0.008083 0.002464 -0.003743 -0.018258 0.013530 0.001025 11H 1s 0.006599 0.006831 -0.009254 -0.009411 -0.007917 -0.003773 11H 2s -0.174917 -0.169358 -0.032901 -0.049911 -0.509305 -0.154846 11H 3s -0.166352 -0.049692 -0.340425 -0.360183 -0.556603 -0.143500 11H 1pz -0.014070 -0.010058 0.017222 0.015320 -0.010985 -0.002024 11H 1px -0.013273 -0.019363 0.006202 -0.000100 -0.036901 -0.007286 11H 1py 0.002044 -0.000947 0.008998 0.005489 -0.001156 0.001325 12H 1s 0.005204 0.000738 0.001724 0.004308 -0.001968 0.002425 12H 2s 0.041884 0.062728 0.014930 -0.225057 -0.374061 -0.080826 12H 3s -0.172861 0.096418 0.086360 -0.023681 -0.387056 -0.011766 12H 1pz -0.003364 0.002106 -0.016385 -0.011714 -0.004381 -0.013791 12H 1px -0.007372 0.010317 -0.000654 -0.008751 -0.018248 -0.000445 12H 1py 0.006172 0.001493 -0.005653 -0.024598 -0.015094 -0.012052 13H 1s -0.004562 0.002578 0.004879 0.010601 0.007628 -0.014927 13H 2s 0.142666 0.263503 0.234244 0.053156 -0.251802 0.126376 13H 3s 0.004707 0.041588 0.068686 -0.179166 0.337168 -0.437272 13H 1pz 0.019444 0.019209 0.014214 0.005835 -0.027781 0.024848 13H 1px -0.009039 -0.018588 -0.006233 -0.005066 0.024426 -0.007666 13H 1py -0.003819 0.002032 -0.000213 0.014108 -0.001191 -0.001537 14H 1s -0.002893 0.008271 0.000855 -0.007185 0.002296 0.000472 14H 2s 0.093429 -0.043525 0.013574 0.141545 0.215721 -0.033945 14H 3s -0.059728 0.065715 0.029269 -0.348082 0.433827 -0.257192 14H 1pz 0.010670 -0.008367 0.006264 0.019215 -0.001977 0.002610 14H 1px 0.010668 -0.004086 0.004728 0.010587 0.013960 0.003553 14H 1py -0.003774 0.009334 -0.013439 0.005416 -0.004090 -0.000412 15H 1s 0.001630 0.002702 0.012023 0.002631 0.011103 0.003080 15H 2s -0.019523 -0.354427 -0.108803 -0.412217 0.390903 -0.405971 15H 3s -0.061945 -0.379265 0.341114 0.023674 0.416269 -0.190538 15H 1pz -0.001580 0.019180 0.000261 0.007446 -0.013500 0.013475 15H 1px -0.004319 -0.021366 -0.014522 -0.004954 0.018811 -0.021553 15H 1py -0.001930 0.017722 0.027811 0.038752 -0.005345 0.022927 16H 1s -0.025139 0.004417 0.004120 0.007995 -0.015739 -0.016076 16H 2s -0.641551 0.192390 0.017976 0.122914 0.078303 -0.231096 16H 3s 0.064479 0.120323 -0.030250 0.076739 -0.033525 -0.095687 16H 1pz -0.007942 0.002407 -0.008552 0.009005 0.006521 0.017720 16H 1px -0.015450 -0.007316 -0.004326 0.012713 -0.037607 -0.010443 16H 1py -0.046309 0.019130 0.008966 -0.000265 0.001328 -0.035164 17H 1s -0.015388 -0.001019 -0.006853 0.011301 0.020334 -0.002922 17H 2s -0.601814 0.112927 0.030637 0.081815 0.134116 -0.241691 17H 3s 0.140974 0.071834 0.154498 -0.089542 0.036163 -0.271419 17H 1pz -0.002277 -0.000670 0.000509 0.010474 -0.004135 0.002062 17H 1px 0.001481 -0.005575 -0.009034 0.018917 0.022643 -0.004223 17H 1py -0.047164 0.011228 0.004867 0.013254 0.010909 -0.029522 18H 1s -0.015781 0.000244 -0.007426 -0.009930 0.020375 0.002255 18H 2s -0.597166 0.127170 0.027157 -0.056007 0.137953 0.245011 18H 3s 0.180010 0.072751 0.161333 0.078203 0.039813 0.261136 18H 1pz 0.002872 0.000962 -0.000298 0.010005 0.004135 0.000893 18H 1px -0.002075 0.005511 0.010037 0.018156 -0.023232 -0.000625 18H 1py 0.048728 -0.012265 -0.004477 0.011484 -0.012261 -0.029075 19H 1s -0.023718 0.005562 0.004198 -0.006896 -0.015508 0.016472 19H 2s -0.640770 0.203302 0.014838 -0.097097 0.076846 0.215812 19H 3s 0.046127 0.131894 -0.032872 -0.074910 -0.038070 0.111232 19H 1pz 0.008775 -0.001215 0.009184 0.008518 -0.005299 0.019037 19H 1px 0.013564 0.006837 0.004647 0.011672 0.037024 -0.014105 19H 1py 0.046822 -0.020603 -0.008842 -0.001403 -0.001500 -0.034878 20H 1s 0.000427 0.001946 0.011882 -0.002623 0.010726 -0.001517 20H 2s -0.038761 -0.356864 -0.095945 0.426245 0.385636 0.424373 20H 3s -0.160443 -0.399605 0.337841 -0.008058 0.411893 0.266166 20H 1pz -0.002458 -0.019151 0.000226 0.007945 0.013175 0.013443 20H 1px 0.001592 0.021554 0.014670 -0.006260 -0.018693 -0.022361 20H 1py 0.003977 -0.016490 -0.026404 0.039185 0.005453 0.020791 21H 1s 0.000749 0.007617 0.000701 0.007243 0.002441 0.000773 21H 2s 0.106114 -0.054122 0.006205 -0.137417 0.217929 0.113267 21H 3s -0.045008 0.049775 0.031558 0.358721 0.439729 0.301539 21H 1pz -0.007920 0.008627 -0.005762 0.019629 0.002462 0.001384 21H 1px -0.009438 0.004044 -0.004655 0.010741 -0.014014 -0.000386 21H 1py -0.001606 -0.008895 0.014074 0.005247 0.003123 -0.000535 22H 1s -0.001483 0.002319 0.004095 -0.010167 0.007822 0.016851 22H 2s 0.185779 0.259423 0.228266 -0.070915 -0.258098 -0.159100 22H 3s 0.036203 0.032972 0.068051 0.192471 0.332388 0.496799 22H 1pz -0.016771 -0.019021 -0.014180 0.007819 0.028045 0.027562 22H 1px 0.013186 0.019285 0.006030 -0.006351 -0.024710 -0.011361 22H 1py 0.001714 -0.002345 0.000741 0.013876 0.000675 -0.002817 23H 1s 0.004575 -0.000091 0.001873 -0.004847 -0.002057 -0.002030 23H 2s 0.040125 0.054711 0.017069 0.222848 -0.374127 0.106648 23H 3s -0.109245 0.081971 0.088951 0.017501 -0.372870 0.066474 23H 1pz 0.002901 -0.002692 0.015825 -0.012595 0.004113 -0.014394 23H 1px 0.004594 -0.010678 0.000800 -0.008766 0.018221 -0.002403 23H 1py -0.004210 -0.001784 0.005363 -0.025165 0.015628 -0.012295 24H 1s 0.004262 0.005995 -0.008658 0.009421 -0.007798 0.004717 24H 2s -0.090337 -0.171294 -0.034653 0.050225 -0.485271 0.201210 24H 3s -0.163952 -0.060579 -0.319023 0.374483 -0.541842 0.178118 24H 1pz 0.004318 0.009054 -0.016089 0.015951 0.009846 -0.003068 24H 1px 0.009134 0.019101 -0.005857 -0.000032 0.035371 -0.008720 24H 1py -0.000441 0.001241 -0.008889 0.005772 0.001730 0.001788 25H 1s 0.003723 0.002144 -0.004420 -0.015267 -0.010652 0.017623 25H 2s 0.386002 0.074567 -0.102563 -0.197927 0.325969 0.151182 25H 3s 0.141580 0.151296 -0.081964 -0.030714 -0.405788 0.442688 25H 1pz -0.013365 0.002139 0.000298 -0.003201 -0.018884 0.001974 25H 1px 0.032046 0.007629 -0.002968 -0.017721 0.040261 0.004541 25H 1py -0.007948 -0.002210 0.002998 -0.018331 -0.012051 0.001936 26O 1s -0.011848 0.002790 -0.003788 -0.003939 -0.008519 0.010428 26O 2s -0.026388 0.005831 -0.008423 -0.007532 -0.019491 0.020046 26O 3s 0.009985 0.008729 0.001163 -0.021745 0.016913 0.050600 26O 4s 0.504247 -0.110020 0.148645 0.318247 0.150680 -0.723330 26O 5s -2.981732 -0.026106 -0.512339 -1.789154 -0.554101 2.864927 26O 1pz 0.009662 0.032258 0.018563 -0.043604 -0.004520 0.017568 26O 1px -0.009264 -0.018804 0.005117 -0.040998 -0.031330 -0.040548 26O 1py -0.032156 -0.055637 0.003802 -0.005095 -0.015898 0.006168 26O 2pz 0.050237 0.104210 0.038858 -0.030841 0.089858 0.010321 26O 2px 0.145334 -0.001305 0.039461 0.001103 0.038565 -0.242305 26O 2py 0.026056 -0.163441 0.022692 0.017979 0.042132 -0.060858 26O 3pz -0.086005 -0.344116 -0.148547 -0.019661 -0.697065 -0.258114 26O 3px 1.329497 0.201965 0.244154 0.794424 -0.073215 -0.725516 26O 3py 0.535043 0.886616 -0.007232 0.437572 -0.304203 -0.322017 26O 1dz2 -0.002666 -0.001878 -0.005164 -0.000895 0.001501 0.003771 26O 1dxz -0.000571 -0.002860 -0.003177 0.002022 -0.000619 -0.000085 26O 1dyz 0.000066 -0.000775 0.002335 -0.001012 -0.002230 -0.002323 26O 1dx2y2 0.003639 -0.001894 -0.001101 0.003109 -0.000915 -0.006767 26O 1dxy 0.002838 0.007203 0.001896 0.003569 -0.003117 -0.004511 26O 2dz2 0.038214 0.046823 -0.015029 0.024851 0.029042 -0.044084 26O 2dxz -0.033870 0.014542 -0.013725 -0.002345 -0.013640 -0.009186 26O 2dyz -0.008352 -0.033775 0.008468 -0.015937 0.002787 -0.023183 26O 2dx2y2 -0.049287 0.008456 -0.026335 -0.026013 -0.007761 0.024966 26O 2dxy -0.069949 0.002068 -0.003319 -0.025640 -0.028169 0.015748 26O 1f0 -0.000174 0.002188 -0.000661 -0.001439 -0.001389 -0.000741 26O 1f+1 -0.005859 0.000296 0.000064 -0.001977 -0.001350 0.002709 26O 1f-1 -0.000763 -0.000646 -0.000195 0.000316 -0.001235 -0.001354 26O 1f+2 0.000352 -0.000908 0.000520 -0.000571 0.002180 0.000453 26O 1f-2 0.000077 -0.000989 -0.000642 0.001549 0.000200 -0.000322 26O 1f+3 -0.003530 0.002257 -0.001418 -0.001122 0.000678 0.001060 26O 1f-3 -0.007607 -0.001645 -0.000314 -0.001091 -0.001164 0.003528 27O 1s -0.004748 -0.003609 -0.001086 -0.004283 0.001253 0.010155 27O 2s -0.011230 -0.008323 -0.002736 -0.008266 0.002841 0.019297 27O 3s 0.022797 0.010142 0.009646 -0.021555 -0.005388 0.059782 27O 4s 0.160836 0.083933 -0.007666 0.329596 0.029853 -0.728645 27O 5s -1.414031 -0.723524 -0.259133 -2.205028 0.129790 2.361314 27O 1pz -0.005905 -0.035691 -0.001806 -0.028399 0.010902 0.002549 27O 1px -0.005289 -0.059548 0.002927 -0.053662 0.025588 -0.058630 27O 1py -0.028186 -0.030097 -0.022294 0.016045 -0.014807 -0.013409 27O 2pz 0.012618 -0.105069 -0.019129 -0.016807 -0.024529 0.026177 27O 2px 0.130777 -0.055084 0.034625 0.010809 0.007453 -0.204323 27O 2py -0.115962 -0.146063 -0.075377 -0.020046 0.045794 -0.032811 27O 3pz -0.381112 0.424586 0.159448 -0.234677 0.485540 -0.094524 27O 3px 0.979449 0.712488 0.208902 1.049765 0.084829 -0.264391 27O 3py 0.331642 0.546026 0.238989 -0.181759 -0.363250 0.390913 27O 1dz2 -0.002812 -0.000933 -0.004370 -0.000240 -0.004879 0.003124 27O 1dxz -0.002691 0.004055 -0.001346 0.000754 0.000927 0.003042 27O 1dyz -0.002965 -0.000516 0.002192 0.001206 0.000256 -0.000987 27O 1dx2y2 0.003922 0.005013 -0.001522 0.005337 0.001534 -0.003358 27O 1dxy 0.000697 0.003213 0.000705 -0.003758 -0.002305 0.000881 27O 2dz2 0.043954 -0.007789 -0.018280 0.041774 0.004183 -0.006118 27O 2dxz -0.003129 -0.000489 -0.017864 0.004012 0.005546 -0.019625 27O 2dyz -0.022307 0.016529 0.023149 0.015043 0.009322 0.020817 27O 2dx2y2 -0.064094 -0.039947 -0.030529 -0.022534 0.021984 0.019524 27O 2dxy 0.033277 0.020338 0.001101 0.020372 -0.022536 0.020951 27O 1f0 0.001892 -0.001055 -0.000823 -0.000677 0.000086 0.000683 27O 1f+1 -0.005110 -0.001513 -0.000630 -0.002789 0.001003 0.001114 27O 1f-1 0.000192 0.000091 0.000634 0.001342 -0.000668 0.000614 27O 1f+2 -0.002014 0.001266 0.000951 0.000170 0.000091 0.003606 27O 1f-2 0.001623 -0.000033 -0.000347 -0.000781 -0.001114 0.000941 27O 1f+3 -0.006839 -0.001195 -0.001701 -0.000083 0.000229 0.000755 27O 1f-3 0.001543 -0.000549 -0.000842 0.001302 -0.000805 -0.000929 28O 1s -0.006032 -0.002442 0.002401 0.005254 0.002724 -0.006687 28O 2s -0.014207 -0.006042 0.005752 0.009049 0.006561 -0.012188 28O 3s 0.025525 0.014558 -0.008894 0.045649 -0.006085 -0.050240 28O 4s 0.239173 0.063977 -0.024725 -0.423779 0.040510 0.522742 28O 5s -2.498732 -0.684025 -0.022095 1.084902 -2.071928 -1.962119 28O 1pz -0.025961 0.015684 -0.011012 -0.064945 -0.081926 0.002504 28O 1px 0.037799 0.043157 0.009726 0.035922 -0.017290 -0.006195 28O 1py -0.032050 -0.032591 -0.010021 0.024390 -0.067674 0.011757 28O 2pz 0.101788 0.082950 -0.043305 -0.178867 -0.169297 0.092662 28O 2px -0.053073 0.048668 0.027985 0.108984 -0.105497 -0.059427 28O 2py -0.028232 -0.116278 -0.010563 0.033714 -0.188198 0.064389 28O 3pz 0.767015 0.208975 0.278868 0.267749 1.868613 0.032734 28O 3px -1.557491 -0.761980 -0.013410 -0.145550 -0.591336 -0.454254 28O 3py 0.064609 0.764733 -0.138840 0.115694 1.075558 -0.257427 28O 1dz2 -0.000545 -0.000714 -0.000095 -0.000944 0.001972 0.001060 28O 1dxz -0.006167 -0.003815 -0.002658 0.001549 -0.009619 -0.003026 28O 1dyz 0.001022 0.002214 0.000122 -0.000630 0.002058 -0.001432 28O 1dx2y2 0.005580 0.005725 -0.002298 -0.000604 0.001681 0.001194 28O 1dxy 0.001062 -0.004487 0.002079 -0.002042 -0.006441 0.000006 28O 2dz2 -0.025049 0.023152 -0.030727 -0.033336 -0.018195 0.001286 28O 2dxz 0.100356 0.036456 -0.015598 -0.000283 0.032883 0.004619 28O 2dyz -0.021564 -0.025529 0.020286 -0.026410 -0.040167 0.004450 28O 2dx2y2 -0.045343 0.004022 -0.018328 -0.012593 -0.001656 -0.021531 28O 2dxy 0.026461 -0.002058 -0.004308 -0.011584 -0.002867 -0.010861 28O 1f0 -0.003870 -0.001362 -0.000031 -0.000942 -0.000288 0.000271 28O 1f+1 -0.002267 0.000919 -0.002110 0.000033 -0.000534 -0.002070 28O 1f-1 0.000339 0.000320 -0.000328 -0.001047 0.002914 0.001442 28O 1f+2 0.007690 0.001182 -0.001306 -0.000126 0.000563 -0.000603 28O 1f-2 0.000234 -0.001676 0.001667 -0.000277 -0.000967 -0.000509 28O 1f+3 0.005181 0.000929 0.000254 -0.000395 0.001462 -0.000456 28O 1f-3 -0.000769 -0.001498 0.001944 0.001505 -0.000692 0.000823 29O 1s 0.018754 -0.007592 -0.001818 0.002022 -0.002798 -0.001555 29O 2s 0.036367 -0.018090 -0.004372 0.005585 -0.006189 -0.005812 29O 3s 0.095590 0.019822 0.004921 -0.017362 -0.002534 0.038662 29O 4s -1.257816 0.209504 0.050353 -0.001759 0.138851 -0.138313 29O 5s 2.937220 -0.387639 -0.097426 0.092330 -0.345028 0.277623 29O 1pz -0.015586 0.014236 0.013608 -0.024808 0.009649 0.004958 29O 1px 0.056326 -0.057613 -0.001446 -0.000816 -0.017840 -0.036022 29O 1py 0.000031 -0.018677 -0.011745 0.000210 -0.007550 0.025698 29O 2pz -0.077215 0.019828 0.020059 -0.015605 0.028889 -0.002934 29O 2px 0.241393 -0.106522 -0.001309 -0.028230 -0.029086 0.007048 29O 2py -0.043045 -0.022164 -0.021569 -0.006640 -0.030877 0.053414 29O 3pz 0.135050 0.106260 -0.064755 0.063523 -0.025884 -0.093010 29O 3px -0.677501 0.156705 -0.044617 -0.067057 0.044886 0.230082 29O 3py -0.464680 0.158360 0.082981 0.095026 0.289506 -0.313149 29O 1dz2 -0.006022 0.001746 -0.000239 0.002082 -0.000774 -0.001500 29O 1dxz -0.002298 0.000864 0.000713 -0.001164 0.002673 -0.001344 29O 1dyz -0.000550 0.000965 -0.000059 0.000660 -0.001358 -0.000387 29O 1dx2y2 -0.001408 0.000238 0.000046 -0.000585 0.000068 -0.000853 29O 1dxy 0.002814 -0.000487 -0.000378 -0.000127 0.000906 0.002565 29O 2dz2 -0.009774 0.005973 0.019073 -0.011109 -0.004055 -0.012798 29O 2dxz 0.019268 0.005543 -0.004678 -0.005959 0.031605 0.036379 29O 2dyz 0.006752 -0.004625 -0.006334 0.002564 -0.001631 0.009052 29O 2dx2y2 -0.051018 -0.000660 0.000948 0.034366 0.012300 -0.053502 29O 2dxy -0.004717 0.002173 0.006758 -0.006003 0.002246 -0.016328 29O 1f0 -0.002593 0.001370 0.000500 -0.000418 0.000621 0.000024 29O 1f+1 0.001749 -0.000762 -0.000910 0.000866 0.000689 0.001049 29O 1f-1 -0.001390 0.000159 -0.000698 -0.000074 0.001376 0.001042 29O 1f+2 0.000785 -0.001046 0.000106 -0.000259 -0.000774 -0.001029 29O 1f-2 -0.001495 0.000547 0.001011 -0.001034 -0.001579 -0.001522 29O 1f+3 -0.000096 -0.001320 -0.000077 0.001335 0.000752 -0.000525 29O 1f-3 0.000479 -0.000527 -0.000161 0.000471 -0.000693 -0.000447 30O 1s -0.010186 0.000014 0.001548 0.003894 0.005601 -0.009837 30O 2s -0.023210 0.000032 0.003133 0.006155 0.012347 -0.018906 30O 3s 0.018943 0.003514 0.007502 0.042988 -0.000985 -0.052252 30O 4s 0.406979 0.077286 -0.077557 -0.370956 -0.278611 0.709227 30O 5s -2.316835 -1.593553 -0.184309 0.736274 2.257817 -3.377258 30O 1pz -0.003397 -0.086505 -0.042246 -0.046121 0.013982 -0.033505 30O 1px -0.012420 0.009361 0.005903 0.045400 0.035179 -0.024057 30O 1py -0.019451 0.023969 0.021765 0.020831 -0.072753 0.018937 30O 2pz 0.054765 -0.187419 -0.096128 -0.115135 -0.014136 0.016236 30O 2px -0.149972 -0.064228 -0.019882 0.124817 0.170034 -0.164262 30O 2py -0.108164 0.002917 0.007797 0.068751 -0.144919 -0.052157 30O 3pz 0.647121 1.420077 0.655567 0.013410 -0.694798 0.709474 30O 3px -0.835413 -0.482507 0.041945 -0.202151 0.190051 -0.563360 30O 3py -0.625661 -0.789437 -0.048081 -0.202333 1.312467 -0.817574 30O 1dz2 -0.001947 0.003261 0.001569 0.000318 0.002467 -0.000956 30O 1dxz -0.003483 -0.007786 -0.004453 0.003433 0.002446 -0.004922 30O 1dyz -0.004272 -0.004818 0.000229 0.002414 0.001279 -0.003280 30O 1dx2y2 0.002510 0.000971 -0.002104 -0.002382 0.003711 -0.000247 30O 1dxy 0.003602 0.004941 -0.001403 0.001461 -0.007164 0.007788 30O 2dz2 -0.003583 0.002682 -0.036653 0.004225 -0.018419 0.004097 30O 2dxz 0.047405 0.009705 -0.009321 0.000087 -0.051894 0.021616 30O 2dyz 0.038941 0.049685 0.031156 0.050395 -0.025973 0.017673 30O 2dx2y2 -0.006923 -0.010573 -0.027227 0.009198 -0.028868 -0.025918 30O 2dxy -0.058348 -0.022126 -0.012109 0.017808 0.009840 -0.014584 30O 1f0 -0.005009 -0.002194 -0.000688 0.000890 0.003248 -0.002987 30O 1f+1 -0.001154 -0.000944 -0.003383 0.000452 -0.000540 -0.000444 30O 1f-1 0.000676 -0.001088 -0.000413 0.000759 0.000503 -0.001059 30O 1f+2 0.003651 0.000441 0.000656 0.000579 0.000957 -0.001960 30O 1f-2 0.005594 0.000851 0.001694 0.000985 -0.001932 0.001281 30O 1f+3 0.000294 0.000726 0.001754 -0.001112 0.001419 0.000069 30O 1f-3 0.005515 0.000380 -0.000847 -0.001500 -0.002470 0.000133 31O 1s -0.010757 -0.000382 0.001303 -0.003524 0.006112 0.009586 31O 2s -0.024742 -0.000886 0.002711 -0.005331 0.013387 0.018358 31O 3s 0.024372 0.004009 0.005308 -0.043396 0.000476 0.051815 31O 4s 0.405223 0.087328 -0.057089 0.349922 -0.305411 -0.707018 31O 5s -2.362637 -1.590254 -0.232293 -0.575977 2.327940 3.481365 31O 1pz 0.001635 0.084574 0.040797 -0.048010 -0.014271 -0.034602 31O 1px -0.001176 -0.008276 -0.003464 0.044132 -0.036881 -0.025004 31O 1py 0.005686 -0.024691 -0.020413 0.023718 0.071034 0.027844 31O 2pz -0.068783 0.185674 0.092374 -0.117312 0.016661 0.015125 31O 2px 0.126365 0.067233 0.026665 0.113724 -0.177639 -0.172101 31O 2py 0.105999 -0.007032 -0.004773 0.071964 0.136878 -0.027384 31O 3pz -0.654399 -1.412980 -0.658503 0.086880 0.698357 0.784236 31O 3px 1.029749 0.452598 -0.055159 -0.239107 -0.195162 -0.599975 31O 3py 0.575024 0.797149 0.048343 -0.282567 -1.301640 -1.015725 31O 1dz2 -0.002834 0.003342 0.001599 -0.000216 0.002533 0.000584 31O 1dxz -0.003791 -0.007668 -0.004592 -0.003033 0.002577 0.005316 31O 1dyz -0.004103 -0.004704 0.000127 -0.002108 0.001439 0.004087 31O 1dx2y2 0.002789 0.000878 -0.002012 0.002446 0.003604 -0.000030 31O 1dxy 0.003526 0.004852 -0.001406 -0.001860 -0.007169 -0.008700 31O 2dz2 -0.001411 0.002625 -0.036991 -0.003202 -0.017188 -0.007539 31O 2dxz 0.053666 0.009075 -0.009562 -0.002087 -0.052104 -0.022812 31O 2dyz 0.045366 0.049711 0.029258 -0.053806 -0.025179 -0.019590 31O 2dx2y2 -0.007542 -0.010916 -0.027979 -0.008447 -0.027590 0.024478 31O 2dxy -0.066729 -0.021500 -0.012459 -0.014930 0.011179 0.016322 31O 1f0 0.005013 0.002193 0.000739 0.000598 -0.003316 -0.003193 31O 1f+1 0.000747 0.000938 0.003425 0.000338 0.000447 -0.000365 31O 1f-1 -0.000609 0.001119 0.000450 0.000748 -0.000489 -0.000901 31O 1f+2 -0.003993 -0.000408 -0.000610 0.000689 -0.000907 -0.001972 31O 1f-2 -0.006037 -0.000867 -0.001644 0.001275 0.002003 0.001347 31O 1f+3 -0.000084 -0.000718 -0.001802 -0.001051 -0.001397 0.000092 31O 1f-3 -0.006337 -0.000389 0.000841 -0.001253 0.002524 0.000115 32O 1s 0.018379 -0.007745 -0.001927 -0.002587 -0.002721 0.002201 32O 2s 0.035479 -0.018493 -0.004683 -0.006604 -0.005902 0.007356 32O 3s 0.096084 0.020947 0.006017 0.013128 -0.004535 -0.040214 32O 4s -1.245622 0.210785 0.049844 0.047593 0.144512 0.121138 32O 5s 2.907963 -0.388778 -0.101180 -0.205084 -0.351010 -0.256765 32O 1pz 0.009484 -0.014767 -0.015112 -0.024574 -0.010021 0.007643 32O 1px -0.055057 0.060591 0.001637 0.001135 0.016348 -0.041040 32O 1py -0.003117 0.019683 0.011664 -0.000117 0.007304 0.024808 32O 2pz 0.066159 -0.019436 -0.021309 -0.016976 -0.030427 0.000941 32O 2px -0.244496 0.110895 -0.000279 -0.019923 0.029006 -0.001705 32O 2py 0.042755 0.025070 0.021384 -0.008268 0.030482 0.052871 32O 3pz -0.118642 -0.110008 0.069635 0.064051 0.037575 -0.068721 32O 3px 0.688969 -0.146756 0.045628 -0.089748 -0.042612 0.259386 32O 3py 0.439918 -0.178300 -0.078502 0.074674 -0.291245 -0.310398 32O 1dz2 -0.006196 0.001872 -0.000252 -0.001785 -0.000813 0.001634 32O 1dxz -0.002113 0.000966 0.000755 0.001243 0.002721 0.001096 32O 1dyz -0.001081 0.001031 -0.000065 -0.000685 -0.001392 0.000301 32O 1dx2y2 -0.001486 0.000148 0.000054 0.000622 0.000141 0.000723 32O 1dxy 0.003049 -0.000558 -0.000376 0.000043 0.000999 -0.002628 32O 2dz2 -0.006494 0.007210 0.019710 0.011469 -0.002277 0.013642 32O 2dxz 0.018483 0.005508 -0.004390 0.005703 0.030460 -0.039502 32O 2dyz 0.004909 -0.004220 -0.005900 -0.002764 -0.001480 -0.007697 32O 2dx2y2 -0.053346 0.000107 -0.000853 -0.032224 0.014372 0.053203 32O 2dxy -0.006810 0.002548 0.007040 0.005238 0.002646 0.018010 32O 1f0 0.002516 -0.001368 -0.000535 -0.000476 -0.000567 0.000013 32O 1f+1 -0.001773 0.000832 0.000966 0.000922 -0.000656 0.001082 32O 1f-1 0.001586 -0.000153 0.000672 -0.000196 -0.001287 0.000992 32O 1f+2 -0.001019 0.001035 -0.000116 -0.000215 0.000768 -0.001183 32O 1f-2 0.001458 -0.000536 -0.001057 -0.001043 0.001574 -0.001575 32O 1f+3 0.000216 0.001270 0.000100 0.001235 -0.000786 -0.000615 32O 1f-3 -0.000178 0.000548 0.000190 0.000542 0.000672 -0.000524 33O 1s -0.006144 -0.002647 0.002140 -0.005071 0.003152 0.005763 33O 2s -0.013903 -0.006492 0.005259 -0.008626 0.007419 0.010157 33O 3s 0.014680 0.014337 -0.010344 -0.046404 -0.004307 0.049307 33O 4s 0.292496 0.069457 -0.008187 0.415139 0.012251 -0.489143 33O 5s -2.459426 -0.648271 -0.075093 -0.995541 -1.934874 1.981157 33O 1pz 0.014133 -0.017247 0.009169 -0.066365 0.080689 -0.009996 33O 1px -0.015147 -0.041980 -0.009599 0.037284 0.017480 -0.004555 33O 1py 0.024693 0.032590 0.011488 0.024049 0.065687 0.009250 33O 2pz -0.102676 -0.084248 0.036293 -0.176181 0.168582 0.063203 33O 2px 0.090550 -0.046992 -0.025411 0.106551 0.100880 -0.059870 33O 2py 0.025933 0.117571 0.012252 0.035306 0.184331 0.059908 33O 3pz -0.718263 -0.186448 -0.271331 0.303992 -1.817508 0.225211 33O 3px 1.315995 0.730938 0.019098 -0.200457 0.571286 -0.495382 33O 3py -0.125194 -0.772300 0.140349 0.103271 -1.059890 -0.198180 33O 1dz2 -0.000394 -0.000685 -0.000098 0.000829 0.001924 -0.001863 33O 1dxz -0.005630 -0.003656 -0.002743 -0.001259 -0.009238 0.003728 33O 1dyz 0.001102 0.002283 0.000142 0.000716 0.002085 0.001797 33O 1dx2y2 0.005468 0.005635 -0.002281 0.000406 0.001693 -0.001502 33O 1dxy 0.001015 -0.004515 0.002083 0.001801 -0.006311 0.000071 33O 2dz2 -0.019083 0.024016 -0.029979 0.035420 -0.017801 0.001420 33O 2dxz 0.089380 0.034829 -0.015366 -0.002913 0.032369 -0.004541 33O 2dyz -0.011843 -0.024936 0.020786 0.026254 -0.039070 -0.003636 33O 2dx2y2 -0.039643 0.004914 -0.018307 0.015399 -0.000449 0.025781 33O 2dxy 0.025640 -0.002326 -0.004109 0.010486 -0.002305 0.008289 33O 1f0 0.003883 0.001309 -0.000029 -0.001149 0.000360 0.000220 33O 1f+1 0.002106 -0.000935 0.002132 -0.000160 0.000483 -0.002237 33O 1f-1 -0.000781 -0.000273 0.000287 -0.001073 -0.002766 0.001628 33O 1f+2 -0.007010 -0.001102 0.001288 0.000133 -0.000542 -0.000590 33O 1f-2 -0.000667 0.001681 -0.001629 -0.000172 0.000930 -0.000439 33O 1f+3 -0.004976 -0.000862 -0.000264 -0.000208 -0.001389 -0.000406 33O 1f-3 0.000697 0.001506 -0.001885 0.001596 0.000655 0.000948 34O 1s -0.004362 -0.003311 -0.000806 0.004742 0.001065 -0.009273 34O 2s -0.010515 -0.007666 -0.002191 0.009334 0.002445 -0.017323 34O 3s 0.024311 0.010456 0.011028 0.020040 -0.005828 -0.060530 34O 4s 0.154765 0.073268 -0.027976 -0.340410 0.038276 0.703602 34O 5s -1.564515 -0.726332 -0.150054 2.263562 0.107138 -2.315362 34O 1pz 0.002633 0.034146 0.000933 -0.027006 -0.011412 0.007667 34O 1px 0.010869 0.060506 -0.004328 -0.053722 -0.023944 -0.058603 34O 1py 0.017881 0.029447 0.023572 0.014108 0.014068 -0.014141 34O 2pz -0.008706 0.100969 0.017818 -0.012046 0.022719 0.043437 34O 2px -0.108592 0.056037 -0.032468 0.018397 -0.005968 -0.194184 34O 2py 0.085169 0.147420 0.076155 -0.029561 -0.044598 -0.036865 34O 3pz 0.262639 -0.407320 -0.158757 -0.266978 -0.479128 -0.193635 34O 3px -1.120152 -0.748009 -0.168917 1.085383 -0.099944 -0.287507 34O 3py -0.222830 -0.555932 -0.251298 -0.136492 0.351045 0.416780 34O 1dz2 -0.002990 -0.001059 -0.004324 0.000419 -0.004907 -0.002963 34O 1dxz -0.001922 0.003972 -0.001416 -0.000548 0.000919 -0.002074 34O 1dyz -0.002464 -0.000567 0.002118 -0.001127 0.000310 0.000745 34O 1dx2y2 0.004373 0.005210 -0.001719 -0.005438 0.001551 0.003618 34O 1dxy 0.001114 0.003251 0.000835 0.003544 -0.002286 -0.000506 34O 2dz2 0.049121 -0.007629 -0.019883 -0.043136 0.004776 -0.000501 34O 2dxz -0.001123 -0.000784 -0.018279 -0.003365 0.006083 0.020218 34O 2dyz -0.015820 0.015949 0.022306 -0.014287 0.009877 -0.018651 34O 2dx2y2 -0.064356 -0.041240 -0.029523 0.026367 0.021428 -0.020555 34O 2dxy 0.037971 0.021165 0.000416 -0.021886 -0.022497 -0.020406 34O 1f0 -0.001820 0.001025 0.000776 -0.000606 -0.000115 0.001009 34O 1f+1 0.005147 0.001518 0.000515 -0.002989 -0.001015 0.001290 34O 1f-1 -0.000014 -0.000091 -0.000595 0.001359 0.000659 0.000452 34O 1f+2 0.002479 -0.001260 -0.000988 0.000156 -0.000104 0.003509 34O 1f-2 -0.001207 0.000023 0.000291 -0.000686 0.001137 0.001176 34O 1f+3 0.007083 0.001255 0.001673 -0.000431 -0.000245 0.000719 34O 1f-3 -0.001548 0.000528 0.000899 0.001336 0.000729 -0.000490 35O 1s -0.011148 0.003005 -0.003425 0.004471 -0.008835 -0.009083 35O 2s -0.024949 0.006352 -0.007686 0.008727 -0.020082 -0.016998 35O 3s 0.012881 0.008012 0.002364 0.021070 0.014780 -0.052425 35O 4s 0.444769 -0.112662 0.126916 -0.340174 0.173335 0.681884 35O 5s -2.488532 -0.039322 -0.434025 1.917615 -0.605631 -2.699474 35O 1pz -0.016128 -0.032224 -0.020423 -0.042902 0.005358 0.019211 35O 1px 0.001994 0.018048 -0.005966 -0.041198 0.028105 -0.041177 35O 1py 0.021467 0.056101 -0.003548 -0.005944 0.014594 0.010135 35O 2pz -0.068895 -0.104593 -0.040822 -0.028881 -0.085619 0.015257 35O 2px -0.152420 -0.000537 -0.036650 0.008599 -0.046082 -0.229740 35O 2py -0.040165 0.164926 -0.020600 0.020098 -0.043264 -0.043823 35O 3pz 0.237428 0.341072 0.147710 -0.021180 0.674270 -0.277111 35O 3px -1.122809 -0.218645 -0.217926 0.853256 0.095605 -0.674420 35O 3py -0.439003 -0.905353 0.021670 0.467048 0.286976 -0.375935 35O 1dz2 -0.001854 -0.001988 -0.005103 0.001246 0.001494 -0.003376 35O 1dxz -0.001897 -0.002851 -0.003172 -0.001821 -0.000706 0.000033 35O 1dyz 0.000296 -0.000740 0.002320 0.000921 -0.002317 0.002250 35O 1dx2y2 0.003415 -0.001740 -0.001256 -0.003094 -0.000957 0.006302 35O 1dxy 0.002863 0.007415 0.001690 -0.003904 -0.002983 0.004476 35O 2dz2 0.043196 0.047821 -0.016415 -0.026507 0.029062 0.042337 35O 2dxz -0.032486 0.014439 -0.013644 0.004105 -0.012812 0.010158 35O 2dyz -0.000202 -0.032858 0.008129 0.016452 0.003966 0.026241 35O 2dx2y2 -0.042425 0.008596 -0.025192 0.028719 -0.008204 -0.022150 35O 2dxy -0.060430 0.002284 -0.002651 0.028089 -0.026822 -0.012273 35O 1f0 0.000078 -0.002187 0.000627 -0.001431 0.001358 -0.000731 35O 1f+1 0.005914 -0.000320 -0.000183 -0.002226 0.001405 0.002526 35O 1f-1 0.001085 0.000598 0.000211 0.000255 0.001114 -0.001595 35O 1f+2 -0.000422 0.000914 -0.000549 -0.000553 -0.002075 0.000741 35O 1f-2 0.000377 0.000985 0.000669 0.001520 -0.000236 -0.000365 35O 1f+3 0.003381 -0.002272 0.001367 -0.001266 -0.000708 0.000926 35O 1f-3 0.007093 0.001612 0.000244 -0.001441 0.001186 0.003331 246 247 248 249 250 251 0.81358 0.81917 0.82241 0.83110 0.84143 0.84814 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s -0.001812 0.000512 -0.000725 -0.000870 0.000635 -0.000075 0Rh 2s 0.003201 -0.001335 0.001519 0.001883 -0.001938 -0.000192 0Rh 3s -0.008604 0.002164 -0.003293 -0.003917 0.002509 -0.000559 0Rh 4s -0.012952 0.005806 -0.006387 -0.007975 0.008566 0.001081 0Rh 5s -0.023139 0.001019 -0.005985 -0.006354 -0.001386 -0.005217 0Rh 6s 0.174612 -0.038519 0.063534 0.073795 -0.051129 0.015280 0Rh 7s -1.070932 0.301054 -0.306744 -0.498109 0.571580 -0.090990 0Rh 8s -0.344903 -0.146990 -0.661832 -0.088549 0.833083 0.276254 0Rh 1pz -0.018788 0.001174 0.007612 0.017323 -0.003418 -0.001351 0Rh 1px 0.004420 0.001746 0.005122 0.012108 0.006819 0.001893 0Rh 1py -0.000482 0.000404 0.020689 -0.011833 -0.002262 -0.003399 0Rh 2pz 0.064457 -0.004082 -0.026185 -0.059082 0.011962 0.004413 0Rh 2px -0.014619 -0.005898 -0.017390 -0.041231 -0.022966 -0.006572 0Rh 2py 0.001485 -0.001632 -0.070594 0.040559 0.007909 0.011965 0Rh 3pz -0.043995 0.003890 0.019083 0.032793 -0.012499 0.001216 0Rh 3px -0.000719 0.002299 0.008464 0.021802 0.007313 0.005881 0Rh 3py 0.002494 0.005740 0.040037 -0.026528 -0.008167 -0.013764 0Rh 4pz -0.158330 0.005696 0.060042 0.176637 -0.013813 -0.026178 0Rh 4px 0.076993 0.020363 0.054106 0.126185 0.087716 0.011508 0Rh 4py -0.018085 -0.012327 0.206756 -0.105044 -0.008968 -0.009495 0Rh 5pz 0.156283 -0.003927 -0.048293 -0.193335 -0.004337 0.039816 0Rh 5px -0.099693 -0.018489 -0.043326 -0.133177 -0.106099 -0.008020 0Rh 5py 0.028670 0.010566 -0.220821 0.103088 -0.001383 0.002029 0Rh 6pz -2.058975 0.477703 0.425987 -0.110758 1.057503 -0.915364 0Rh 6px -0.492665 -0.103253 -0.010779 0.136027 0.369813 -0.268519 0Rh 6py 0.563449 0.729702 0.147374 -0.876042 -0.298342 0.064987 0Rh 1dz2 -0.010552 -0.004509 0.008492 0.013010 -0.016868 0.016346 0Rh 1dxz 0.005096 -0.017029 -0.010149 0.009245 0.036214 -0.020305 0Rh 1dyz 0.006631 0.023117 -0.000321 -0.011681 0.002607 -0.014240 0Rh 1dx2y2 -0.007574 0.001475 0.000229 0.007730 0.001559 -0.019779 0Rh 1dxy 0.000303 -0.039943 -0.003729 0.012175 0.010239 0.024825 0Rh 2dz2 0.003001 -0.000244 -0.002005 -0.003358 0.003176 -0.003477 0Rh 2dxz -0.000783 0.003521 0.002765 -0.000660 -0.008833 0.004231 0Rh 2dyz -0.001456 -0.007133 -0.000234 0.001880 -0.000344 0.002972 0Rh 2dx2y2 0.000584 -0.000570 -0.000699 -0.001294 0.001461 0.004419 0Rh 2dxy -0.000799 0.007554 0.002141 -0.003499 -0.001204 -0.005275 0Rh 3dz2 0.008597 0.010318 -0.008789 -0.012210 0.020884 -0.018387 0Rh 3dxz -0.006934 0.019738 0.008893 -0.016013 -0.036086 0.023349 0Rh 3dyz -0.007262 -0.016217 0.001619 0.015843 -0.003848 0.016278 0Rh 3dx2y2 0.012977 -0.000354 0.002515 -0.010239 -0.009506 0.021320 0Rh 3dxy 0.002742 0.048830 -0.001410 -0.009901 -0.015837 -0.028008 0Rh 4dz2 0.053659 -0.003415 -0.034364 -0.059099 0.059333 -0.065014 0Rh 4dxz -0.015345 0.064303 0.047465 -0.017860 -0.161101 0.079104 0Rh 4dyz -0.026040 -0.130056 -0.002412 0.034713 -0.006496 0.055483 0Rh 4dx2y2 0.011820 -0.010345 -0.010843 -0.026768 0.022442 0.081179 0Rh 4dxy -0.011703 0.140555 0.032156 -0.060122 -0.024771 -0.096965 0Rh 5dz2 -0.196597 0.173469 0.053565 0.155940 -0.110756 0.161060 0Rh 5dxz 0.001536 -0.144033 -0.132236 -0.014551 0.479759 -0.197992 0Rh 5dyz 0.058382 0.643985 0.000830 0.002188 -0.018691 -0.143209 0Rh 5dx2y2 0.101728 0.065600 0.075235 0.093988 -0.183158 -0.207512 0Rh 5dxy 0.070928 -0.220983 -0.098891 0.192000 -0.007828 0.230664 0Rh 1f0 -0.010604 0.004453 -0.009083 0.007472 0.005749 -0.000654 0Rh 1f+1 0.004603 -0.002740 0.006305 0.003951 0.002427 -0.005752 0Rh 1f-1 0.007763 0.001500 -0.009359 -0.004357 0.001660 0.003100 0Rh 1f+2 0.011449 0.004039 0.001497 0.015064 -0.012692 0.002578 0Rh 1f-2 0.006006 -0.005600 -0.005012 0.001916 -0.001206 0.006411 0Rh 1f+3 0.013519 0.004112 0.008588 0.003517 -0.005932 -0.005831 0Rh 1f-3 0.003737 -0.007122 0.010888 0.000310 0.001283 0.004405 1Rh 1s -0.001314 -0.000552 -0.000712 -0.000986 -0.000613 0.000030 1Rh 2s 0.002216 0.001457 0.001478 0.002139 0.001852 0.000285 1Rh 3s -0.006304 -0.002326 -0.003243 -0.004438 -0.002434 0.000350 1Rh 4s -0.008876 -0.006347 -0.006204 -0.009055 -0.008170 -0.001466 1Rh 5s -0.018109 -0.000874 -0.006006 -0.007273 0.001024 0.004778 1Rh 6s 0.130879 0.041046 0.062195 0.084247 0.050409 -0.011090 1Rh 7s -0.871580 -0.314324 -0.286939 -0.569576 -0.560852 0.065098 1Rh 8s -0.405847 0.125599 -0.622159 -0.112194 -0.846041 -0.281800 1Rh 1pz 0.018041 0.001749 -0.007654 -0.017162 -0.002547 -0.001689 1Rh 1px -0.002733 0.001951 -0.005459 -0.011979 0.007298 0.001649 1Rh 1py 0.000289 -0.000591 -0.020597 0.011742 -0.003610 -0.003514 1Rh 2pz -0.061965 -0.006048 0.026334 0.058562 0.008986 0.005548 1Rh 2px 0.008914 -0.006598 0.018528 0.040806 -0.024606 -0.005756 1Rh 2py -0.000802 0.001789 0.070276 -0.040250 0.012521 0.012345 1Rh 3pz 0.043675 0.005097 -0.019222 -0.033069 -0.010800 0.000932 1Rh 3px 0.002907 0.002749 -0.008846 -0.021814 0.008383 0.005695 1Rh 3py -0.003350 0.003261 -0.039815 0.026405 -0.011022 -0.013781 1Rh 4pz 0.146877 0.011031 -0.060246 -0.173009 -0.005102 -0.031057 1Rh 4px -0.056019 0.022281 -0.058419 -0.124133 0.091996 0.007986 1Rh 4py 0.018116 -0.020219 -0.206038 0.104034 -0.021598 -0.011444 1Rh 5pz -0.141584 -0.008715 0.048180 0.188122 -0.013480 0.047187 1Rh 5px 0.069847 -0.021194 0.048865 0.131343 -0.110283 -0.002966 1Rh 5py -0.032248 0.018178 0.220539 -0.102693 0.011643 0.005033 1Rh 6pz 2.070162 0.467363 -0.432323 0.184711 1.044807 -0.874121 1Rh 6px 0.756195 -0.075986 -0.008633 -0.148993 0.379986 -0.269969 1Rh 6py -0.574035 0.621138 -0.146407 0.872221 -0.366149 0.087078 1Rh 1dz2 -0.013287 0.003895 0.008616 0.014673 0.016208 -0.016645 1Rh 1dxz 0.006881 0.017073 -0.009815 0.006733 -0.036412 0.021598 1Rh 1dyz 0.007356 -0.023057 -0.000092 -0.012710 -0.001752 0.014338 1Rh 1dx2y2 -0.003892 -0.001359 0.000441 0.006241 -0.002017 0.020150 1Rh 1dxy 0.001221 0.039608 -0.004518 0.012964 -0.010938 -0.024543 1Rh 2dz2 0.003607 0.000361 -0.002060 -0.003644 -0.002993 0.003530 1Rh 2dxz -0.001089 -0.003576 0.002632 -0.000060 0.008835 -0.004448 1Rh 2dyz -0.001725 0.007054 -0.000312 0.002176 0.000174 -0.002983 1Rh 2dx2y2 -0.000407 0.000513 -0.000646 -0.001052 -0.001419 -0.004531 1Rh 2dxy -0.001145 -0.007458 0.002340 -0.003669 0.001423 0.005225 1Rh 3dz2 0.011543 -0.009569 -0.008805 -0.014372 -0.020319 0.018775 1Rh 3dxz -0.009282 -0.019599 0.008785 -0.013458 0.036485 -0.025068 1Rh 3dyz -0.007564 0.016431 0.001485 0.016653 0.002821 -0.016426 1Rh 3dx2y2 0.009779 0.000362 0.001854 -0.008250 0.010263 -0.021604 1Rh 3dxy 0.002362 -0.048563 -0.000661 -0.010772 0.016334 0.027644 1Rh 4dz2 0.064507 0.005547 -0.035369 -0.064471 -0.056096 0.066032 1Rh 4dxz -0.021247 -0.065055 0.045163 -0.006904 0.161365 -0.083222 1Rh 4dyz -0.031102 0.128792 -0.003763 0.040197 0.003499 -0.055753 1Rh 4dx2y2 -0.005566 0.009452 -0.010136 -0.022153 -0.021445 -0.083129 1Rh 4dxy -0.017626 -0.138860 0.035734 -0.063228 0.028431 0.095951 1Rh 5dz2 -0.215836 -0.176066 0.059364 0.160452 0.100807 -0.163875 1Rh 5dxz 0.014621 0.146089 -0.122215 -0.046627 -0.479781 0.203582 1Rh 5dyz 0.093778 -0.634949 0.006662 -0.024417 0.021914 0.143150 1Rh 5dx2y2 0.150460 -0.061323 0.067152 0.088695 0.182587 0.214735 1Rh 5dxy 0.096571 0.216129 -0.109511 0.197736 -0.003244 -0.227488 1Rh 1f0 0.009898 0.005025 0.008867 -0.006879 0.006713 -0.000430 1Rh 1f+1 -0.005362 -0.002666 -0.006127 -0.003714 0.002554 -0.005508 1Rh 1f-1 -0.007845 0.001596 0.009421 0.004441 0.001597 0.003524 1Rh 1f+2 -0.011593 0.004299 -0.001243 -0.015592 -0.012095 0.001926 1Rh 1f-2 -0.005423 -0.005672 0.005139 -0.002579 -0.000979 0.006438 1Rh 1f+3 -0.013646 0.003962 -0.008317 -0.003594 -0.006242 -0.005900 1Rh 1f-3 -0.003908 -0.007139 -0.010767 -0.000532 0.001036 0.004182 2C 1s -0.002372 -0.005957 -0.000783 -0.000159 0.001758 0.000909 2C 2s -0.007989 -0.014377 -0.003195 -0.001273 0.001908 0.003478 2C 3s 0.061120 -0.031096 0.044380 0.040923 0.148419 -0.063935 2C 4s -0.395768 0.382084 -0.260396 -0.409368 -1.030160 0.283000 2C 5s 3.204168 5.125264 1.144168 1.841765 -0.078772 -0.372428 2C 1pz 0.014057 0.026024 -0.033276 0.047461 0.053817 0.008736 2C 1px -0.018278 0.002019 0.027096 -0.022178 -0.059057 0.007796 2C 1py 0.018301 0.004049 0.056726 -0.053618 -0.004669 -0.066890 2C 2pz -0.016223 0.362232 -0.211942 0.187842 -0.186356 0.240159 2C 2px -0.080070 0.135199 0.010264 -0.058982 -0.341655 0.098693 2C 2py 0.032031 0.189922 0.213282 -0.382522 -0.277314 -0.239347 2C 3pz 0.691347 1.030541 0.192149 0.337644 -0.041536 -0.000125 2C 3px 0.287072 0.974699 0.170314 0.105500 -0.765182 0.212502 2C 3py 0.257453 0.635284 0.149623 0.059528 -0.028811 -0.345265 2C 1dz2 0.001706 0.004311 0.005420 0.001383 -0.003202 0.002307 2C 1dxz 0.002408 -0.001603 -0.001919 -0.001796 -0.002920 -0.000046 2C 1dyz -0.000843 0.001691 -0.002201 -0.001217 -0.002573 -0.000155 2C 1dx2y2 0.001978 -0.001598 0.001434 0.000377 0.001535 -0.000241 2C 1dxy 0.001190 -0.001776 -0.001474 -0.001376 0.000069 0.001665 2C 2dz2 -0.023098 -0.008148 -0.048360 -0.147391 0.104631 -0.112188 2C 2dxz 0.127952 0.211330 0.135056 -0.102004 0.162733 -0.267610 2C 2dyz -0.006819 0.079528 0.074961 0.016836 -0.156373 0.038108 2C 2dx2y2 -0.021144 0.096942 0.206277 -0.334543 -0.383276 -0.132440 2C 2dxy 0.130574 0.298966 -0.107216 0.382853 0.032305 0.314942 2C 1f0 -0.007910 -0.005539 0.006927 -0.022180 -0.013624 -0.013382 2C 1f+1 0.002004 0.009343 -0.005852 0.009138 -0.000076 0.009069 2C 1f-1 0.003278 0.008101 -0.002778 0.005594 -0.000696 0.003912 2C 1f+2 0.000652 -0.001541 -0.003218 0.003005 0.016827 -0.005320 2C 1f-2 0.004211 0.010746 -0.000846 -0.005596 -0.002758 -0.005420 2C 1f+3 0.002153 0.002381 0.005291 -0.008463 0.006308 -0.012835 2C 1f-3 -0.000250 -0.003583 0.002779 0.000794 -0.008452 0.006763 3C 1s -0.003707 0.004068 -0.001237 -0.001626 -0.001903 -0.002276 3C 2s -0.011952 0.008756 -0.004095 -0.005923 -0.006476 -0.002728 3C 3s 0.081959 0.074898 0.039039 0.052118 0.099740 -0.173374 3C 4s -0.514916 -0.512376 -0.139212 -0.251593 -0.595668 1.155861 3C 5s 5.145933 -4.095690 0.635937 2.158420 2.204770 1.193435 3C 1pz 0.036159 0.004593 0.032660 0.024326 0.033394 -0.064499 3C 1px -0.043725 -0.037246 0.069137 0.054608 -0.055579 -0.035510 3C 1py -0.038967 -0.006508 0.031041 -0.002531 -0.043185 -0.012592 3C 2pz 0.124379 -0.083255 0.187720 0.155493 0.013063 -0.110891 3C 2px -0.195488 -0.321242 0.288298 0.144042 -0.291725 0.053747 3C 2py -0.074072 0.300888 0.246700 0.103619 -0.010425 -0.551846 3C 3pz 0.504693 -0.352042 0.096048 0.308827 0.352189 -0.241184 3C 3px 0.463593 -1.306699 0.206316 0.306718 -0.067923 0.330631 3C 3py -0.998438 0.675321 -0.131767 -0.361149 -0.327872 -0.705363 3C 1dz2 -0.004603 -0.001666 -0.004037 0.001494 -0.001739 0.000945 3C 1dxz -0.001943 -0.001618 -0.000371 -0.001156 -0.001698 0.003899 3C 1dyz 0.000968 0.004175 0.002235 -0.002233 0.000701 -0.003542 3C 1dx2y2 -0.002950 0.002887 -0.000936 -0.002128 0.000747 -0.003175 3C 1dxy 0.000822 -0.000744 -0.001919 0.003868 0.003140 -0.002410 3C 2dz2 -0.072914 -0.043846 0.087506 -0.057464 -0.024808 -0.171577 3C 2dxz 0.360131 0.089425 -0.396907 -0.198206 0.417716 0.096878 3C 2dyz 0.058292 0.130905 0.007143 0.078612 0.052300 -0.156150 3C 2dx2y2 0.089910 -0.228960 -0.131059 -0.111788 0.016376 0.256546 3C 2dxy -0.182661 0.338004 -0.129477 -0.209836 -0.047931 0.223864 3C 1f0 -0.001072 0.001820 -0.009429 -0.009177 0.001985 0.011999 3C 1f+1 -0.005939 -0.002758 0.008219 0.000354 -0.007873 0.002122 3C 1f-1 -0.008855 -0.000819 0.005189 0.004402 -0.009109 -0.001168 3C 1f+2 -0.000726 0.003038 0.002858 -0.001187 0.005313 -0.014262 3C 1f-2 -0.002553 0.012718 -0.003496 -0.001535 0.004265 -0.009035 3C 1f+3 0.014510 -0.007360 -0.013211 -0.006339 0.012567 0.012133 3C 1f-3 0.014116 0.000742 -0.008964 -0.006212 0.013641 -0.000360 4C 1s -0.001735 0.007823 -0.001639 -0.004721 -0.003929 -0.004168 4C 2s -0.004537 0.016832 -0.003557 -0.011163 -0.006743 -0.011485 4C 3s -0.059633 0.041094 -0.082057 -0.010741 -0.201112 0.125065 4C 4s 0.860162 -0.346559 0.785163 0.447730 1.454753 -0.557224 4C 5s -1.155526 -2.600295 0.284286 -0.716448 2.080003 -0.256331 4C 1pz 0.014617 0.028545 0.046161 0.034417 -0.061551 0.054751 4C 1px 0.003509 -0.076465 -0.079374 -0.037556 0.015241 0.012854 4C 1py -0.026996 0.022391 -0.053871 -0.021091 -0.022996 -0.009197 4C 2pz 0.159735 0.143972 0.168314 0.290083 0.268846 0.013112 4C 2px -0.019408 -0.002326 -0.152129 -0.483690 -0.284593 -0.036236 4C 2py 0.115691 0.073639 0.057204 -0.018064 0.053382 -0.010648 4C 3pz 0.827701 3.231647 0.266269 0.463951 -0.202999 -0.468151 4C 3px -1.016702 -1.670167 -0.067628 -1.348622 -0.269717 -0.359426 4C 3py 0.911295 1.554107 0.521356 0.022492 -0.568911 0.270239 4C 1dz2 0.004121 0.008687 -0.003919 0.008425 -0.002440 0.004720 4C 1dxz -0.008719 -0.005122 0.003132 -0.008573 -0.013103 0.000924 4C 1dyz 0.006303 0.011420 0.004353 -0.004973 -0.005451 -0.004344 4C 1dx2y2 0.003955 -0.009595 0.006213 0.002358 0.008277 -0.005980 4C 1dxy -0.001409 -0.002584 0.001749 0.005034 0.001093 0.002007 4C 2dz2 -0.230625 -0.200414 -0.223274 0.176447 0.282881 0.030807 4C 2dxz -0.058634 0.015403 -0.102271 -0.254470 -0.145380 -0.124930 4C 2dyz 0.051693 -0.354850 0.189899 -0.062679 0.224784 -0.131695 4C 2dx2y2 0.050266 0.073467 0.086715 -0.119038 -0.007284 -0.150269 4C 2dxy 0.066219 0.187410 -0.149915 0.226283 0.218638 0.163456 4C 1f0 -0.002952 0.008718 -0.005240 0.007052 -0.005906 0.013906 4C 1f+1 -0.007763 -0.002365 -0.012205 -0.005815 -0.027180 0.009279 4C 1f-1 -0.005915 0.000371 -0.002190 0.002288 -0.006128 0.005615 4C 1f+2 0.005360 -0.018529 0.007395 0.011395 0.021589 -0.004894 4C 1f-2 -0.002192 0.003300 -0.007497 -0.007935 -0.009323 0.002353 4C 1f+3 0.000256 -0.011248 -0.001679 0.007170 0.005019 0.004269 4C 1f-3 -0.012107 -0.005185 -0.007050 -0.000378 -0.011286 0.002712 5C 1s -0.000238 -0.005037 -0.002186 0.001815 -0.000404 0.009476 5C 2s -0.001595 -0.009658 -0.005324 0.003912 -0.000159 0.020697 5C 3s -0.055457 -0.132572 -0.041668 -0.066105 -0.115306 0.189372 5C 4s 0.924577 0.846899 0.648375 0.623247 0.971608 -1.727988 5C 5s -1.662549 2.895043 0.382096 -0.258754 0.529750 -3.644290 5C 1pz -0.019219 -0.019577 -0.043379 0.036135 -0.025867 0.029456 5C 1px -0.065866 0.069785 0.026390 -0.093955 -0.027890 0.023777 5C 1py -0.028933 0.059878 -0.007924 0.015858 -0.004827 -0.027446 5C 2pz 0.266134 -0.028402 -0.107389 0.156213 0.200177 -0.149558 5C 2px -0.313433 -0.013244 0.572241 -0.192515 -0.173275 -0.155467 5C 2py -0.276427 0.023685 0.014521 -0.144050 -0.205102 0.222271 5C 3pz 2.087608 -1.760399 0.209329 0.630707 0.956221 0.778076 5C 3px -0.941434 1.374006 1.057783 0.156721 -0.528749 0.052552 5C 3py -1.596617 2.516828 -0.139170 -0.876457 -0.751831 -0.825741 5C 1dz2 -0.007507 0.000926 0.000756 0.000369 -0.005920 0.002206 5C 1dxz -0.003719 0.000115 -0.005260 -0.000175 -0.004162 0.011823 5C 1dyz -0.010381 0.005021 -0.002194 -0.005666 -0.004099 -0.004607 5C 1dx2y2 -0.007394 0.016698 0.004563 0.003945 -0.000336 -0.011352 5C 1dxy 0.008803 0.001284 -0.007288 -0.007450 0.010156 -0.002455 5C 2dz2 0.035308 -0.110108 0.208200 0.066400 -0.091833 -0.040677 5C 2dxz 0.106523 0.066445 -0.159787 -0.217512 0.144527 0.177537 5C 2dyz -0.083904 -0.318472 -0.044802 -0.029265 -0.176596 0.460008 5C 2dx2y2 0.314683 -0.190482 0.233568 0.079605 0.140594 -0.084990 5C 2dxy 0.171610 0.097059 -0.309076 0.028590 0.137599 0.309592 5C 1f0 -0.005640 -0.009384 0.008364 -0.001305 -0.005551 0.001959 5C 1f+1 -0.008644 0.005292 -0.011853 -0.002647 -0.010170 0.018090 5C 1f-1 -0.001575 -0.002579 0.000975 -0.006316 0.001117 0.003473 5C 1f+2 0.003378 0.011346 0.002073 0.000384 0.000224 -0.005516 5C 1f-2 0.010968 0.019735 -0.006326 0.010617 0.013455 -0.020388 5C 1f+3 -0.012569 -0.006001 -0.006357 -0.008691 -0.019905 0.021959 5C 1f-3 0.000164 0.017780 0.012864 0.005447 0.002791 -0.029440 6C 1s -0.000908 0.005175 -0.002303 0.002338 0.000279 -0.009319 6C 2s -0.003006 0.010001 -0.005547 0.004970 -0.000166 -0.020317 6C 3s -0.052973 0.126536 -0.045841 -0.050081 0.119045 -0.190725 6C 4s 0.890782 -0.807759 0.680759 0.491907 -0.986510 1.735224 6C 5s -1.474808 -2.924651 0.444583 -0.501967 -0.523780 3.590452 6C 1pz 0.025578 -0.016057 0.043787 -0.039371 -0.021789 0.030357 6C 1px 0.057970 0.069890 -0.027029 0.094493 -0.033070 0.023896 6C 1py 0.028387 0.060958 0.007106 -0.013738 -0.002924 -0.027235 6C 2pz -0.219082 -0.033823 0.100599 -0.148582 0.207391 -0.154562 6C 2px 0.225071 -0.021908 -0.553547 0.199700 -0.190567 -0.143293 6C 2py 0.234518 0.033380 -0.009937 0.134603 -0.210679 0.225494 6C 3pz -1.799104 -1.842193 -0.189012 -0.694096 0.959100 0.747386 6C 3px 0.709355 1.389486 -1.027570 -0.107584 -0.537613 0.075107 6C 3py 1.238191 2.568538 0.107019 0.968965 -0.765485 -0.806453 6C 1dz2 -0.008321 -0.001060 0.000653 0.000934 0.005892 -0.002120 6C 1dxz -0.003360 -0.000300 -0.005390 0.000350 0.004050 -0.012111 6C 1dyz -0.008576 -0.005471 -0.002252 -0.006008 0.004222 0.004416 6C 1dx2y2 -0.006229 -0.016971 0.004697 0.003036 0.000041 0.011266 6C 1dxy 0.008071 -0.001006 -0.006710 -0.007978 -0.009816 0.002402 6C 2dz2 0.021685 0.113060 0.200740 0.077326 0.096964 0.050865 6C 2dxz 0.136720 -0.061462 -0.151132 -0.224652 -0.131819 -0.182956 6C 2dyz -0.094450 0.313512 -0.053725 0.002197 0.175175 -0.460686 6C 2dx2y2 0.291674 0.210489 0.230630 0.077348 -0.133754 0.087209 6C 2dxy 0.152014 -0.097705 -0.298957 0.029716 -0.141201 -0.308371 6C 1f0 0.005289 -0.009267 -0.007999 0.000722 -0.005666 0.002137 6C 1f+1 0.008982 0.005980 0.011722 0.001584 -0.010161 0.017900 6C 1f-1 0.000153 -0.002704 -0.000838 0.006441 0.000862 0.003674 6C 1f+2 -0.004234 0.011219 -0.002160 0.000336 0.000176 -0.005664 6C 1f-2 -0.009880 0.019585 0.005553 -0.008837 0.014143 -0.020633 6C 1f+3 0.011811 -0.005266 0.007021 0.006901 -0.020157 0.021892 6C 1f-3 -0.000243 0.017272 -0.012989 -0.003873 0.002893 -0.029437 7C 1s -0.003130 -0.008005 -0.001624 -0.004468 0.004044 0.004262 7C 2s -0.007727 -0.017231 -0.003533 -0.010715 0.007018 0.011696 7C 3s -0.067334 -0.041801 -0.081660 0.001600 0.199852 -0.126348 7C 4s 0.963492 0.362233 0.783124 0.356091 -1.456861 0.571802 7C 5s -0.751775 2.652374 0.264393 -0.821147 -2.032200 0.151685 7C 1pz -0.013340 0.028538 -0.046207 -0.037867 -0.061745 0.052902 7C 1px -0.006199 -0.080408 0.080901 0.036784 0.014575 0.014770 7C 1py 0.023752 0.023805 0.053313 0.021463 -0.022510 -0.007511 7C 2pz -0.146944 0.147068 -0.175104 -0.273529 0.279143 -0.010598 7C 2px -0.063926 -0.012339 0.168933 0.472307 -0.302871 0.009505 7C 2py -0.136349 0.071276 -0.054482 0.023797 0.051616 -0.008140 7C 3pz -0.519715 3.294601 -0.298023 -0.447390 -0.172079 -0.571248 7C 3px 1.001579 -1.706706 0.114578 1.287824 -0.310050 -0.230424 7C 3py -0.782759 1.542023 -0.526992 -0.064726 -0.556562 0.238032 7C 1dz2 0.002533 -0.009121 -0.003707 0.008620 0.001933 -0.004222 7C 1dxz -0.009363 0.005324 0.002711 -0.007482 0.013541 -0.001409 7C 1dyz 0.005592 -0.011354 0.004397 -0.004799 0.005814 0.004480 7C 1dx2y2 0.004212 0.009914 0.006045 0.001959 -0.008162 0.006075 7C 1dxy -0.001015 0.002509 0.001616 0.005160 -0.001434 -0.002275 7C 2dz2 -0.225636 0.186424 -0.217762 0.165485 -0.303064 -0.033506 7C 2dxz -0.040873 -0.014571 -0.107897 -0.252217 0.154903 0.109666 7C 2dyz 0.077365 0.370815 0.182626 -0.074479 -0.213774 0.133152 7C 2dx2y2 0.055321 -0.076775 0.083225 -0.122463 0.014615 0.148830 7C 2dxy 0.112856 -0.201240 -0.141406 0.207781 -0.236404 -0.170095 7C 1f0 0.003816 0.009123 0.004854 -0.007522 -0.005176 0.013873 7C 1f+1 0.009672 -0.002510 0.012549 0.003728 -0.027023 0.009536 7C 1f-1 0.007535 0.000525 0.002141 -0.002902 -0.005916 0.005143 7C 1f+2 -0.005651 -0.018641 -0.007309 -0.010664 0.022071 -0.005556 7C 1f-2 0.000954 0.003329 0.007760 0.007457 -0.009598 0.003084 7C 1f+3 0.000732 -0.011409 0.001664 -0.007382 0.005376 0.003708 7C 1f-3 0.014785 -0.005099 0.006934 -0.000605 -0.011227 0.002349 8C 1s -0.003181 -0.004224 -0.001187 -0.001780 0.001890 0.002200 8C 2s -0.010561 -0.009231 -0.004032 -0.006082 0.006490 0.002515 8C 3s 0.082210 -0.071169 0.042063 0.039859 -0.100679 0.173878 8C 4s -0.532450 0.491216 -0.159371 -0.172100 0.602071 -1.158603 8C 5s 4.569331 4.272614 0.585694 2.262713 -2.237624 -1.116277 8C 1pz -0.028639 0.002220 -0.034309 -0.022377 0.031460 -0.066983 8C 1px 0.042917 -0.035897 -0.064948 -0.056599 -0.053259 -0.035266 8C 1py 0.037223 -0.006277 -0.029926 0.000531 -0.044257 -0.013603 8C 2pz -0.078334 -0.091939 -0.190246 -0.164008 0.006073 -0.122450 8C 2px 0.212356 -0.315969 -0.266675 -0.169580 -0.286287 0.054041 8C 2py 0.059204 0.300330 -0.251690 -0.077948 -0.011670 -0.555597 8C 3pz -0.463032 -0.364675 -0.101701 -0.294362 0.351439 -0.249729 8C 3px -0.325695 -1.320194 -0.173796 -0.369055 -0.059833 0.331776 8C 3py 0.902475 0.712696 0.118990 0.401024 -0.333901 -0.685285 8C 1dz2 -0.004450 0.001340 -0.004051 0.001594 0.001418 -0.001040 8C 1dxz -0.001867 0.001533 -0.000419 -0.000955 0.001721 -0.003890 8C 1dyz 0.001029 -0.004046 0.002283 -0.002429 -0.000496 0.003549 8C 1dx2y2 -0.002727 -0.002971 -0.000846 -0.002432 -0.000704 0.003115 8C 1dxy 0.000841 0.000643 -0.001801 0.003609 -0.003407 0.002422 8C 2dz2 -0.053227 0.037001 0.082581 -0.066270 0.028142 0.174260 8C 2dxz 0.361763 -0.077133 -0.378109 -0.217806 -0.408579 -0.102086 8C 2dyz 0.039268 -0.131976 0.015027 0.069115 -0.053319 0.160164 8C 2dx2y2 0.102626 0.232305 -0.132459 -0.101820 -0.015496 -0.260856 8C 2dxy -0.141294 -0.342762 -0.124064 -0.216208 0.054434 -0.230137 8C 1f0 -0.000350 0.001884 0.009200 0.009325 0.001732 0.012393 8C 1f+1 0.005046 -0.002563 -0.007772 -0.000798 -0.007740 0.001906 8C 1f-1 0.009804 -0.000406 -0.005124 -0.004988 -0.008887 -0.001450 8C 1f+2 0.000489 0.002819 -0.003077 0.001841 0.005158 -0.014247 8C 1f-2 0.001606 0.012725 0.003167 0.002461 0.004359 -0.009020 8C 1f+3 -0.013822 -0.007917 0.012679 0.006264 0.012245 0.012200 8C 1f-3 -0.013409 0.000196 0.008306 0.006847 0.013337 -0.000526 9C 1s -0.002112 0.006013 -0.000786 -0.000180 -0.001740 -0.001046 9C 2s -0.007505 0.014527 -0.003205 -0.001174 -0.001844 -0.003855 9C 3s 0.073083 0.031214 0.044209 0.031276 -0.150002 0.066079 9C 4s -0.472605 -0.379680 -0.261607 -0.344323 1.045203 -0.306325 9C 5s 2.759319 -5.228881 1.189504 1.797983 -0.011524 0.619794 9C 1pz -0.013550 0.028390 0.031520 -0.044742 0.058932 0.007182 9C 1px 0.017744 0.001875 -0.024412 0.015792 -0.059767 0.013135 9C 1py -0.015888 0.001068 -0.055393 0.054349 -0.010717 -0.066969 9C 2pz 0.047087 0.376301 0.204713 -0.201040 -0.160736 0.234999 9C 2px 0.086164 0.137091 -0.000370 0.026555 -0.341131 0.114697 9C 2py -0.002637 0.176195 -0.207164 0.373906 -0.316377 -0.240617 9C 3pz -0.613135 1.036768 -0.205776 -0.335055 -0.008804 -0.043391 9C 3px -0.219290 0.983931 -0.172304 -0.151596 -0.769601 0.202640 9C 3py -0.139103 0.665759 -0.147988 -0.053573 -0.045258 -0.374446 9C 1dz2 0.001665 -0.004102 0.005454 0.001515 0.003317 -0.002149 9C 1dxz 0.002033 0.001759 -0.001965 -0.001499 0.003008 0.000015 9C 1dyz -0.001327 -0.001898 -0.002204 -0.001054 0.002566 0.000124 9C 1dx2y2 0.002383 0.001733 0.001398 0.000255 -0.001441 0.000362 9C 1dxy 0.000933 0.001873 -0.001532 -0.001270 -0.000053 -0.001670 9C 2dz2 -0.010452 0.014861 -0.048273 -0.155628 -0.097069 0.109565 9C 2dxz 0.126372 -0.210415 0.137886 -0.126887 -0.153815 0.281437 9C 2dyz -0.022567 -0.080547 0.071612 0.027028 0.155941 -0.033405 9C 2dx2y2 -0.025499 -0.084236 0.200226 -0.321013 0.411741 0.125597 9C 2dxy 0.144742 -0.317199 -0.090102 0.374174 -0.053067 -0.307914 9C 1f0 0.008547 -0.006043 -0.006409 0.021446 -0.015129 -0.012839 9C 1f+1 -0.002034 0.009646 0.005494 -0.008798 0.000401 0.008878 9C 1f-1 -0.002242 0.008368 0.002559 -0.005745 -0.000192 0.003632 9C 1f+2 -0.001668 -0.001454 0.002902 -0.001823 0.017224 -0.005502 9C 1f-2 -0.003594 0.010802 0.000651 0.005759 -0.002917 -0.005671 9C 1f+3 -0.002546 0.002215 -0.005149 0.009339 0.005670 -0.013332 9C 1f-3 0.000223 -0.003727 -0.002674 -0.001514 -0.008247 0.006722 10H 1s -0.010521 -0.016100 -0.002684 -0.011010 0.001215 -0.003349 10H 2s 0.030480 -0.121379 -0.215060 0.228053 0.800244 -0.133243 10H 3s -0.310047 -0.573470 -0.059032 -0.224695 0.069591 -0.078121 10H 1pz 0.006004 0.009995 -0.000373 0.015688 0.012537 0.003897 10H 1px -0.014891 -0.007129 0.003926 -0.025247 -0.061326 0.012667 10H 1py 0.003771 0.010042 0.008649 -0.009656 -0.000558 -0.006183 11H 1s -0.010206 -0.005596 -0.007581 -0.007269 -0.001209 -0.009566 11H 2s -0.252572 -0.067497 -0.353655 0.414642 -0.126639 0.563787 11H 3s -0.277863 -0.177593 -0.022825 -0.443248 -0.460045 0.014636 11H 1pz 0.000867 -0.000347 -0.009991 0.036715 0.009242 0.026990 11H 1px -0.003549 -0.008654 -0.009815 0.016668 -0.011922 0.030809 11H 1py 0.001565 -0.021019 0.012334 -0.025238 0.006704 -0.018982 12H 1s -0.005701 -0.011908 -0.002682 -0.007098 -0.000146 0.002149 12H 2s -0.243139 -0.323534 0.396231 -0.882551 -0.358619 -0.567549 12H 3s -0.394647 -0.256647 -0.272403 -0.160194 -0.232353 0.149701 12H 1pz -0.003618 0.008358 -0.019302 0.026414 0.019843 0.014024 12H 1px -0.013445 -0.003490 -0.000238 -0.020765 -0.006593 -0.017643 12H 1py -0.004343 -0.008409 0.025301 -0.048862 -0.010511 -0.035908 13H 1s -0.016024 0.015138 0.002890 0.000528 -0.004714 -0.005114 13H 2s 0.321018 0.472241 -0.397321 -0.141120 0.569792 -0.326920 13H 3s -0.516294 0.483313 -0.040638 -0.131565 -0.271036 -0.055174 13H 1pz 0.030487 0.005730 -0.008654 0.008232 0.030277 -0.025596 13H 1px -0.032705 -0.019424 0.027027 0.001332 -0.041439 0.019764 13H 1py -0.006581 0.003597 0.007880 0.003107 -0.003460 0.001176 14H 1s -0.007405 0.005062 -0.001167 -0.001751 -0.000398 -0.000735 14H 2s -0.617975 -0.031209 0.736131 0.358613 -0.542486 -0.647128 14H 3s -0.435528 0.026266 -0.107077 -0.285166 -0.224117 0.269701 14H 1pz -0.008284 0.009989 0.029429 0.018973 -0.009059 -0.030924 14H 1px -0.031685 -0.004097 0.042468 0.017848 -0.028355 -0.033227 14H 1py 0.001522 -0.015437 0.029864 0.017079 -0.007196 -0.020555 15H 1s -0.014091 0.013422 -0.003617 -0.004243 -0.012609 0.002661 15H 2s -0.298251 0.067916 -0.378004 -0.363209 -0.093559 0.514666 15H 3s -0.626009 0.160908 0.082379 -0.224662 -0.480287 0.361466 15H 1pz 0.006034 0.001299 0.015966 0.016296 0.005305 -0.037729 15H 1px -0.011892 0.011448 0.012223 -0.007110 -0.002843 -0.001671 15H 1py -0.008370 0.014883 0.021571 0.019400 -0.019733 -0.008286 16H 1s 0.002393 -0.007690 -0.009493 -0.000355 0.007470 -0.003482 16H 2s 0.151163 0.056797 0.095615 0.046888 -0.265177 0.003761 16H 3s -0.055410 0.094624 0.220468 0.136843 -0.258122 0.000539 16H 1pz 0.003689 0.016480 0.013083 0.012899 -0.009708 0.006193 16H 1px -0.017715 -0.009538 -0.016782 0.010883 0.016184 -0.006075 16H 1py 0.003023 0.005165 0.008628 -0.012885 -0.032375 -0.009127 17H 1s 0.000727 -0.004026 -0.003320 -0.002948 -0.010575 0.010059 17H 2s 0.014641 -0.023986 0.028698 -0.041042 -0.139522 -0.083565 17H 3s 0.038952 0.042624 0.043434 -0.195559 -0.077649 -0.134368 17H 1pz -0.009710 0.008175 0.010357 0.007692 -0.002388 -0.003240 17H 1px 0.012607 -0.001645 -0.001765 -0.002923 -0.019788 0.016620 17H 1py 0.003858 0.004379 0.019137 -0.003339 -0.024348 -0.011824 18H 1s 0.001253 0.003178 -0.003691 -0.002081 0.010937 -0.010280 18H 2s 0.043197 0.022263 0.018797 -0.034776 0.146748 0.087258 18H 3s 0.077323 -0.028177 0.031518 -0.198766 0.086876 0.131202 18H 1pz 0.010179 0.008444 -0.009864 -0.006890 -0.001475 -0.003454 18H 1px -0.012935 -0.001084 0.002565 0.001817 -0.019627 0.017836 18H 1py -0.006884 0.004215 -0.017927 0.002792 -0.025359 -0.011864 19H 1s 0.004723 0.008389 -0.009755 -0.001190 -0.007093 0.003255 19H 2s 0.176986 -0.060148 0.086122 0.056248 0.267691 -0.003144 19H 3s -0.039228 -0.099717 0.218578 0.138698 0.258702 0.004404 19H 1pz -0.001103 0.017186 -0.012937 -0.014211 -0.008185 0.006582 19H 1px 0.015979 -0.010580 0.016642 -0.009449 0.016418 -0.006166 19H 1py -0.007104 0.004996 -0.007519 0.012140 -0.033771 -0.009816 20H 1s -0.014075 -0.014284 -0.003558 -0.003882 0.012582 -0.002902 20H 2s -0.231449 -0.081984 -0.384139 -0.356076 0.089706 -0.537576 20H 3s -0.593152 -0.174975 0.075622 -0.192739 0.487617 -0.360267 20H 1pz -0.003572 0.001266 -0.016646 -0.015221 0.005059 -0.038797 20H 1px 0.008424 0.011300 -0.011612 0.007963 -0.003145 -0.001166 20H 1py 0.011387 0.015310 -0.021590 -0.020170 -0.019364 -0.008870 21H 1s -0.007368 -0.005424 -0.000939 -0.002124 0.000531 0.000636 21H 2s -0.624821 0.014478 0.709838 0.368765 0.535063 0.652776 21H 3s -0.399582 -0.046289 -0.109051 -0.275297 0.230982 -0.286899 21H 1pz 0.009035 0.009638 -0.029096 -0.018723 -0.008740 -0.031624 21H 1px 0.032916 -0.003185 -0.040710 -0.018621 -0.028029 -0.033394 21H 1py -0.000731 -0.015769 -0.028921 -0.017064 -0.007142 -0.020644 22H 1s -0.013875 -0.015870 0.003105 -0.000269 0.004488 0.004765 22H 2s 0.309178 -0.460324 -0.358700 -0.184958 -0.556802 0.331448 22H 3s -0.442737 -0.504281 -0.035029 -0.142006 0.270628 0.052773 22H 1pz -0.026403 0.004363 0.006941 -0.006675 0.029703 -0.026053 22H 1px 0.032122 -0.018355 -0.024795 -0.004069 -0.041265 0.020460 22H 1py 0.006624 0.004036 -0.008021 -0.003226 -0.003784 0.000924 23H 1s -0.006366 0.012395 -0.002739 -0.006616 0.000399 -0.002985 23H 2s -0.251294 0.357308 0.371113 -0.859819 0.430756 0.539296 23H 3s -0.406818 0.254788 -0.276699 -0.138596 0.238100 -0.178390 23H 1pz 0.000777 0.009166 0.018286 -0.024923 0.022447 0.013209 23H 1px 0.013717 -0.004147 0.001162 0.020005 -0.007775 -0.016647 23H 1py 0.003515 -0.010061 -0.024075 0.048903 -0.014764 -0.035715 24H 1s -0.009875 0.005755 -0.007442 -0.007087 0.001277 0.008600 24H 2s -0.227123 0.051940 -0.350373 0.444647 0.077644 -0.589881 24H 3s -0.267252 0.199328 -0.025783 -0.412334 0.484769 -0.043707 24H 1pz -0.001724 0.000566 0.010006 -0.036447 0.011899 0.025878 24H 1px 0.002487 -0.007962 0.010358 -0.019496 -0.009961 0.032228 24H 1py -0.000689 -0.022170 -0.011652 0.025583 0.004087 -0.019215 25H 1s -0.009050 0.016443 -0.002859 -0.010841 -0.000769 0.001935 25H 2s 0.058311 0.117008 -0.195719 0.165776 -0.820320 0.155779 25H 3s -0.274013 0.586979 -0.065952 -0.222188 -0.062679 0.053117 25H 1pz -0.006762 0.011086 -0.000164 -0.014878 0.014184 0.003411 25H 1px 0.016751 -0.007629 -0.002448 0.019854 -0.062732 0.015500 25H 1py -0.003597 0.009384 -0.008808 0.010636 -0.002472 -0.006285 26O 1s -0.006345 0.000398 0.002213 0.005968 -0.000319 -0.001603 26O 2s -0.014894 -0.000344 0.004703 0.013365 -0.001416 -0.002810 26O 3s 0.019178 0.026423 0.007459 -0.000251 0.016560 -0.017114 26O 4s 0.135677 -0.195564 -0.114771 -0.263782 -0.018459 0.126895 26O 5s -0.528701 0.688538 -0.057267 1.234384 -0.284577 0.022826 26O 1pz 0.010118 0.016861 -0.046399 0.001126 -0.005813 0.000620 26O 1px -0.011703 -0.061429 -0.055663 -0.020742 0.011516 0.011904 26O 1py 0.036049 -0.009057 -0.048902 -0.009725 -0.005972 0.052558 26O 2pz 0.015740 0.140953 -0.091488 0.029614 -0.004020 -0.019014 26O 2px 0.034396 -0.075253 -0.070169 -0.096626 0.031010 -0.015786 26O 2py 0.130259 0.055079 -0.060453 0.010324 -0.005698 0.122893 26O 3pz -0.026845 -0.868035 0.432096 -0.141852 0.019009 0.143153 26O 3px 0.363152 0.344287 0.463388 -0.068546 0.326639 -0.156188 26O 3py -0.486494 -0.563656 0.383976 -0.563512 0.111344 -0.840355 26O 1dz2 -0.002689 0.002053 -0.003617 0.003857 0.001970 0.002351 26O 1dxz 0.000618 0.001726 0.001059 0.002409 -0.000559 0.004137 26O 1dyz 0.000920 0.001667 0.000865 0.000106 0.000742 0.000731 26O 1dx2y2 0.003677 0.001618 -0.001235 0.004007 0.004418 0.003439 26O 1dxy -0.000459 -0.001615 0.002110 -0.006102 -0.001508 -0.004912 26O 2dz2 -0.000507 0.032021 0.005228 0.000960 0.017746 -0.021448 26O 2dxz -0.005881 -0.008561 -0.018641 -0.001723 -0.020330 0.007899 26O 2dyz -0.015331 -0.004759 0.029436 0.022726 -0.000012 0.014858 26O 2dx2y2 -0.020717 0.011406 -0.027461 0.008235 -0.000915 0.014122 26O 2dxy -0.022494 -0.015477 -0.015626 0.003131 -0.026226 0.006104 26O 1f0 -0.000269 -0.001738 -0.000063 -0.002627 0.000246 -0.001779 26O 1f+1 -0.000800 0.000188 -0.000198 -0.001088 -0.003371 0.000341 26O 1f-1 -0.001739 -0.003882 0.000607 0.000181 0.000420 0.000195 26O 1f+2 0.001835 0.002942 0.001652 -0.000381 -0.000426 0.000452 26O 1f-2 -0.000531 0.000359 0.000442 0.000232 -0.001116 0.001211 26O 1f+3 -0.001395 0.000557 -0.000469 -0.001761 -0.002658 -0.000861 26O 1f-3 -0.000285 0.000096 -0.002410 0.003203 -0.000889 0.002943 27O 1s -0.004724 0.000957 -0.009952 0.004746 -0.000929 0.008710 27O 2s -0.010917 0.003354 -0.022229 0.010480 -0.002998 0.019901 27O 3s 0.012084 -0.022562 0.004727 0.004731 0.020238 -0.015272 27O 4s 0.071122 0.150647 0.419554 -0.215131 -0.040025 -0.340928 27O 5s -0.099999 -1.110485 -2.023476 0.241293 -0.139928 1.835007 27O 1pz 0.040447 -0.036928 0.008119 -0.015787 0.020500 0.033274 27O 1px -0.026120 0.040814 0.008588 -0.086405 -0.011747 -0.000564 27O 1py 0.008294 0.010171 0.002585 0.077265 0.029418 -0.017336 27O 2pz 0.144344 -0.110102 -0.012638 -0.032825 0.082788 0.098239 27O 2px 0.017867 0.067124 0.131293 -0.143694 0.011579 -0.111353 27O 2py -0.011015 0.101656 0.032151 0.127778 0.039184 -0.040537 27O 3pz -0.820776 0.450476 0.134933 0.324440 -0.659289 -0.374695 27O 3px -0.052128 0.132700 0.855276 0.633583 0.232706 -1.035020 27O 3py 0.095626 -0.926046 -0.362187 -0.506746 -0.222334 0.399824 27O 1dz2 -0.000340 0.000087 -0.002613 -0.000288 -0.000772 0.002522 27O 1dxz -0.007646 -0.001559 0.002731 0.002504 -0.005546 -0.001072 27O 1dyz 0.002562 0.001567 -0.001630 0.001777 -0.000531 0.003607 27O 1dx2y2 -0.002193 0.001368 0.009308 0.002119 -0.001835 -0.008406 27O 1dxy -0.003224 -0.002046 -0.001365 -0.000568 -0.004500 -0.001830 27O 2dz2 0.048556 0.002411 0.047483 0.001553 0.028458 -0.038774 27O 2dxz -0.007342 0.000421 0.010677 -0.002932 -0.014872 -0.009329 27O 2dyz -0.013214 0.009378 0.009560 -0.020853 -0.019320 0.021206 27O 2dx2y2 0.005321 -0.000270 -0.009122 -0.026521 -0.013333 0.034933 27O 2dxy -0.000451 -0.005297 0.017383 0.006237 0.015212 -0.029679 27O 1f0 0.002219 -0.001515 0.000569 -0.002143 0.001698 -0.000140 27O 1f+1 0.001418 -0.001354 -0.003263 -0.001686 0.000095 0.004377 27O 1f-1 -0.000764 -0.000729 0.001499 0.001133 -0.000207 0.000078 27O 1f+2 -0.000595 -0.003897 0.000388 0.000148 -0.001152 0.001472 27O 1f-2 0.001746 -0.001183 0.001246 -0.000480 0.001633 -0.001429 27O 1f+3 0.000271 -0.000579 -0.001501 -0.000388 -0.001554 0.004086 27O 1f-3 0.003371 -0.001530 -0.000682 0.000169 0.002517 0.000866 28O 1s 0.004652 0.003040 -0.004490 -0.009484 -0.010201 -0.001465 28O 2s 0.010365 0.008174 -0.010004 -0.021274 -0.024226 -0.002155 28O 3s 0.002675 -0.030223 0.004561 0.004401 0.032826 -0.022871 28O 4s -0.143799 0.061728 0.190885 0.405738 0.301912 0.155969 28O 5s -0.324264 -1.058981 -1.113375 -1.735773 -1.578519 -0.193738 28O 1pz -0.082499 -0.004679 0.056935 -0.002944 -0.038786 0.019564 28O 1px 0.005290 -0.015705 -0.021291 -0.040406 0.004518 -0.017948 28O 1py -0.001686 -0.022671 0.016754 0.025515 -0.038242 0.041086 28O 2pz -0.198769 -0.093309 0.110487 -0.009780 -0.025244 0.025027 28O 2px -0.031114 -0.032423 -0.093591 -0.177383 -0.111408 -0.025301 28O 2py 0.007813 -0.087129 0.045133 0.021518 -0.109721 0.090601 28O 3pz 1.385237 0.731207 0.345345 0.737492 0.933759 -0.307368 28O 3px -0.221631 0.163590 -0.241121 -0.289797 -0.823698 0.170917 28O 3py 0.241839 0.695484 -0.346475 0.354755 0.790853 -0.237867 28O 1dz2 0.006330 -0.001091 0.004795 -0.004552 -0.004680 -0.002569 28O 1dxz -0.006240 -0.002577 -0.004573 -0.007034 -0.005217 0.001037 28O 1dyz -0.002535 -0.000339 -0.002691 0.005884 0.002644 0.002312 28O 1dx2y2 0.001880 -0.002498 0.002083 0.003107 0.007764 -0.000304 28O 1dxy 0.000218 -0.007224 0.005193 -0.005567 -0.001890 -0.002599 28O 2dz2 -0.025209 0.000225 -0.023362 -0.025094 -0.009450 -0.011779 28O 2dxz -0.005454 -0.027553 -0.005551 0.019534 0.064861 -0.024622 28O 2dyz -0.002078 -0.028748 -0.025983 -0.006888 -0.001435 0.018347 28O 2dx2y2 -0.037906 0.007381 -0.031046 -0.016169 -0.027538 0.003442 28O 2dxy 0.015321 -0.028962 0.002632 -0.014838 0.005859 -0.012077 28O 1f0 -0.000168 0.001798 -0.000468 -0.000019 -0.003289 0.001194 28O 1f+1 -0.001839 0.001530 -0.002056 0.000690 0.000101 0.000924 28O 1f-1 0.000833 0.003518 -0.001915 -0.000587 0.000016 0.000020 28O 1f+2 0.000200 -0.002820 0.001053 0.002622 0.004386 -0.001298 28O 1f-2 0.000776 -0.001538 0.001652 -0.001009 0.000011 -0.000844 28O 1f+3 0.000100 -0.000495 0.000830 0.001291 0.003498 -0.000984 28O 1f-3 0.001122 -0.000424 0.002094 -0.001547 -0.001160 -0.000527 29O 1s -0.006792 -0.000813 -0.004176 -0.001551 0.004657 0.001070 29O 2s -0.016092 -0.002298 -0.010467 -0.004034 0.009445 0.002349 29O 3s 0.014239 0.010132 0.020559 0.009755 0.016506 -0.000469 29O 4s 0.199541 -0.006751 0.079382 0.009518 -0.292273 -0.048440 29O 5s -0.322633 -0.051306 -0.186519 0.039157 0.693923 0.146953 29O 1pz 0.022240 -0.009222 -0.009099 -0.018098 -0.006740 0.010137 29O 1px -0.049484 0.005739 -0.016863 -0.028478 0.000988 -0.002698 29O 1py -0.006557 0.007515 -0.014807 0.002597 0.017047 -0.004426 29O 2pz 0.027546 -0.002299 -0.021099 -0.037132 -0.021022 0.006418 29O 2px -0.087602 0.014747 -0.030436 -0.047841 0.044361 0.004612 29O 2py 0.000184 0.011231 -0.017748 0.009509 0.026143 -0.005877 29O 3pz 0.140003 0.073659 0.153212 0.204578 -0.205240 0.114417 29O 3px 0.247385 -0.049940 0.000918 0.144318 -0.064181 0.076736 29O 3py 0.034446 -0.029270 0.098417 0.016289 -0.233603 -0.048117 29O 1dz2 -0.000121 0.001177 0.001729 0.000959 -0.001340 -0.001010 29O 1dxz 0.001596 -0.000313 -0.000436 -0.001739 -0.001769 0.000571 29O 1dyz 0.001397 0.000667 0.000957 0.000840 -0.001219 0.000828 29O 1dx2y2 0.001031 -0.000171 -0.000098 -0.000932 -0.001193 0.000262 29O 1dxy 0.000632 -0.000156 -0.000810 0.002162 0.001010 0.000304 29O 2dz2 0.002034 -0.014273 -0.008700 -0.005161 0.017308 -0.017621 29O 2dxz 0.016148 0.009041 0.026008 0.010561 -0.026139 0.026335 29O 2dyz 0.001497 -0.011440 -0.001861 0.008112 0.014194 0.003154 29O 2dx2y2 -0.003954 -0.004825 0.003588 0.002924 -0.043313 0.004273 29O 2dxy -0.012448 0.020530 0.021370 -0.015385 -0.009882 -0.020308 29O 1f0 0.000441 0.000766 0.001454 0.000205 -0.001726 -0.000450 29O 1f+1 -0.000620 0.000395 0.000106 -0.000032 -0.000422 0.000987 29O 1f-1 -0.000149 0.001794 0.001372 0.000305 -0.001548 0.000124 29O 1f+2 -0.000911 -0.001018 -0.001787 -0.000528 0.001788 -0.000362 29O 1f-2 -0.000064 0.000265 0.000275 -0.000759 0.000689 -0.001856 29O 1f+3 -0.000918 -0.000516 -0.000598 0.000082 -0.000401 0.000996 29O 1f-3 -0.000878 0.001061 0.000592 -0.000862 -0.000843 -0.000014 30O 1s -0.000413 -0.004378 0.008976 -0.007544 -0.002415 0.005792 30O 2s -0.000722 -0.011668 0.020283 -0.016777 -0.005462 0.013546 30O 3s -0.000985 0.042437 -0.004142 0.003156 0.005166 -0.017727 30O 4s 0.113357 -0.053823 -0.340548 0.310394 0.129010 -0.211984 30O 5s -1.607325 0.572416 1.021510 -1.514608 -1.347377 1.284734 30O 1pz -0.014015 -0.034823 -0.039670 0.035171 -0.017943 0.013093 30O 1px -0.006344 0.021879 0.030109 -0.016274 0.001428 0.021174 30O 1py 0.080280 0.002294 0.006924 -0.036652 0.058679 -0.014548 30O 2pz -0.000167 -0.015672 -0.063602 0.089533 -0.004947 -0.014717 30O 2px -0.091381 0.001759 0.127647 -0.093793 -0.084580 0.113778 30O 2py 0.204169 -0.096329 0.023850 -0.079711 0.124710 -0.007024 30O 3pz 0.753881 0.084506 -0.334942 0.013953 0.772285 -0.232007 30O 3px -0.427296 -0.435458 -0.206501 -0.333801 -0.382732 0.513240 30O 3py -1.808338 0.499268 -0.123089 -0.287149 -1.208767 0.857168 30O 1dz2 0.001701 -0.000721 -0.007440 -0.004654 0.001345 0.008086 30O 1dxz -0.004488 -0.002142 0.005569 -0.001660 -0.005696 -0.000320 30O 1dyz -0.006373 -0.002666 0.003715 -0.000460 -0.002883 0.002254 30O 1dx2y2 0.001267 0.004383 -0.002789 -0.000072 0.003768 -0.002725 30O 1dxy 0.009523 -0.003603 0.003113 0.004492 0.004473 -0.005627 30O 2dz2 0.033382 -0.023365 -0.000703 0.006786 0.033362 0.002871 30O 2dxz 0.022191 0.020085 0.013943 0.011070 0.026737 -0.042363 30O 2dyz 0.026207 0.008386 -0.019670 0.046008 0.012630 -0.016394 30O 2dx2y2 0.014605 -0.014661 0.008769 -0.000750 0.003457 -0.007777 30O 2dxy -0.009835 -0.052268 0.011171 0.013984 -0.016217 0.028515 30O 1f0 -0.002102 -0.000282 -0.000055 0.000199 -0.002384 0.002581 30O 1f+1 0.000789 -0.002231 0.003198 0.000854 -0.000001 -0.001636 30O 1f-1 0.000995 0.001135 0.000414 -0.000254 0.000070 -0.001600 30O 1f+2 -0.000471 0.004618 -0.001955 0.001088 0.000651 -0.001923 30O 1f-2 0.000730 0.003046 -0.001655 0.000960 0.000569 -0.001054 30O 1f+3 -0.000116 0.000063 -0.001444 -0.000293 0.001284 -0.000078 30O 1f-3 0.000148 0.002260 0.001112 0.001622 0.000850 -0.004495 31O 1s 0.000578 0.004714 0.008763 -0.007299 0.003047 -0.006052 31O 2s 0.001092 0.012415 0.019774 -0.016120 0.006891 -0.014146 31O 3s 0.005995 -0.042236 -0.003306 0.000533 -0.005704 0.018150 31O 4s 0.028625 0.042393 -0.334668 0.309924 -0.152044 0.220642 31O 5s -1.152373 -0.588766 0.979235 -1.476970 1.430162 -1.321654 31O 1pz 0.009288 -0.032738 0.041777 -0.036185 -0.013972 0.013753 31O 1px 0.002627 0.022321 -0.029966 0.017165 -0.000468 0.020957 31O 1py -0.077301 -0.002626 -0.008565 0.040150 0.055018 -0.015091 31O 2pz -0.000592 -0.013055 0.066532 -0.087858 0.003175 -0.014663 31O 2px 0.069466 0.003744 -0.122862 0.089755 -0.092222 0.116292 31O 2py -0.206023 -0.107666 -0.025803 0.083943 0.116493 -0.008224 31O 3pz -0.649283 0.056757 0.289302 0.018648 0.764293 -0.236158 31O 3px 0.358136 -0.428210 0.217746 0.291112 -0.388587 0.517031 31O 3py 1.666243 0.569415 0.153246 0.234231 -1.197877 0.882392 31O 1dz2 0.001855 0.000630 -0.007263 -0.004510 -0.001261 -0.008265 31O 1dxz -0.003908 0.002133 0.005219 -0.001371 0.005827 0.000281 31O 1dyz -0.005951 0.002586 0.003535 -0.000176 0.002927 -0.002252 31O 1dx2y2 0.001399 -0.004528 -0.002558 -0.000456 -0.003815 0.002639 31O 1dxy 0.008289 0.003897 0.003172 0.004352 -0.004500 0.005883 31O 2dz2 0.032412 0.024459 -0.000010 0.005718 -0.032988 -0.002550 31O 2dxz 0.019478 -0.017577 0.014999 0.008199 -0.026149 0.043603 31O 2dyz 0.023290 -0.009147 -0.019063 0.044779 -0.015664 0.017209 31O 2dx2y2 0.017118 0.016236 0.008125 -0.001141 -0.002596 0.007819 31O 2dxy -0.008887 0.051788 0.009572 0.017093 0.015945 -0.028101 31O 1f0 0.001673 -0.000133 0.000156 -0.000339 -0.002334 0.002609 31O 1f+1 -0.000770 -0.002309 -0.003123 -0.000873 -0.000057 -0.001702 31O 1f-1 -0.001119 0.001086 -0.000414 0.000334 0.000032 -0.001592 31O 1f+2 0.000136 0.004681 0.001858 -0.000835 0.000775 -0.001916 31O 1f-2 -0.000629 0.003026 0.001590 -0.000818 0.000699 -0.001079 31O 1f+3 0.000122 0.000126 0.001370 0.000357 0.001318 -0.000000 31O 1f-3 -0.000148 0.002189 -0.001142 -0.001380 0.000933 -0.004563 32O 1s -0.006550 0.000747 -0.004001 -0.001804 -0.004763 -0.001285 32O 2s -0.015336 0.002113 -0.010113 -0.004590 -0.009676 -0.002861 32O 3s 0.010741 -0.009443 0.021186 0.009615 -0.016635 0.000973 32O 4s 0.208460 0.005415 0.068533 0.021398 0.298120 0.054941 32O 5s -0.341063 0.058303 -0.162732 0.011481 -0.710201 -0.160212 32O 1pz -0.021679 -0.010494 0.009841 0.016514 -0.007849 0.010488 32O 1px 0.045388 0.005424 0.016389 0.029675 0.000822 -0.001650 32O 1py 0.009966 0.007832 0.013776 -0.001182 0.018028 -0.004445 32O 2pz -0.027006 -0.003805 0.023407 0.034244 -0.022534 0.006601 32O 2px 0.086228 0.013787 0.028139 0.051636 0.044121 0.006743 32O 2py 0.007259 0.010999 0.016219 -0.007834 0.027067 -0.005995 32O 3pz -0.151145 0.081311 -0.154632 -0.206674 -0.193868 0.114891 32O 3px -0.205878 -0.043827 -0.002430 -0.155358 -0.055442 0.071533 32O 3py -0.075384 -0.019105 -0.088633 -0.030300 -0.240377 -0.048943 32O 1dz2 0.000038 -0.001172 0.001644 0.000877 0.001320 0.001060 32O 1dxz 0.001739 0.000331 -0.000544 -0.001629 0.001856 -0.000530 32O 1dyz 0.001499 -0.000688 0.000997 0.000874 0.001303 -0.000843 32O 1dx2y2 0.001045 0.000242 -0.000148 -0.000897 0.001246 -0.000235 32O 1dxy 0.000275 0.000066 -0.000731 0.002087 -0.001160 -0.000272 32O 2dz2 0.004307 0.014926 -0.008855 -0.007313 -0.015570 0.018281 32O 2dxz 0.012154 -0.010370 0.025905 0.012533 0.025999 -0.027638 32O 2dyz 0.000510 0.011858 -0.001199 0.007735 -0.013728 -0.003125 32O 2dx2y2 0.001285 0.004112 0.001611 0.004301 0.042987 -0.004776 32O 2dxy -0.010191 -0.020897 0.021800 -0.015664 0.011474 0.020229 32O 1f0 -0.000426 0.000676 -0.001331 -0.000267 -0.001672 -0.000471 32O 1f+1 0.000744 0.000441 -0.000088 -0.000044 -0.000364 0.001124 32O 1f-1 0.000298 0.001888 -0.001380 -0.000383 -0.001553 0.000063 32O 1f+2 0.000755 -0.001091 0.001798 0.000655 0.001804 -0.000346 32O 1f-2 -0.000121 0.000146 -0.000245 0.000855 0.000677 -0.001881 32O 1f+3 0.000842 -0.000474 0.000624 -0.000080 -0.000338 0.000991 32O 1f-3 0.000807 0.001075 -0.000624 0.000849 -0.000926 0.000017 33O 1s 0.005079 -0.003164 -0.004535 -0.009084 0.010567 0.000563 33O 2s 0.011072 -0.008451 -0.010079 -0.020276 0.025047 0.000163 33O 3s 0.007154 0.030288 0.004101 0.002166 -0.032836 0.022553 33O 4s -0.182984 -0.058847 0.196473 0.396569 -0.318106 -0.114133 33O 5s -0.180729 1.073647 -1.156717 -1.647226 1.634191 0.011636 33O 1pz 0.081879 -0.005242 -0.056467 0.000083 -0.040496 0.021069 33O 1px -0.003923 -0.017159 0.021128 0.040254 0.003056 -0.015749 33O 1py 0.004436 -0.023793 -0.015707 -0.029543 -0.036934 0.042228 33O 2pz 0.210014 -0.095590 -0.109628 0.002906 -0.028470 0.027188 33O 2px 0.031256 -0.034244 0.095448 0.169678 -0.116764 -0.011303 33O 2py 0.005485 -0.092697 -0.041446 -0.034294 -0.108494 0.094914 33O 3pz -1.411923 0.746066 -0.367641 -0.646132 0.952268 -0.386151 33O 3px 0.157271 0.156231 0.258888 0.258753 -0.840704 0.188795 33O 3py -0.311518 0.740227 0.313450 -0.275553 0.814838 -0.264174 33O 1dz2 0.006076 0.001478 0.004593 -0.004339 0.005205 0.002768 33O 1dxz -0.006036 0.002623 -0.004727 -0.006593 0.005366 -0.001710 33O 1dyz -0.002294 -0.000017 -0.002558 0.005780 -0.003077 -0.002234 33O 1dx2y2 0.001778 0.002492 0.002244 0.002723 -0.007911 0.000491 33O 1dxy -0.000046 0.007703 0.004922 -0.005331 0.002371 0.002495 33O 2dz2 -0.024818 -0.000917 -0.023147 -0.025122 0.009746 0.010507 33O 2dxz -0.006390 0.026393 -0.004928 0.016318 -0.066361 0.026213 33O 2dyz -0.002887 0.029480 -0.026259 -0.005974 0.001107 -0.019480 33O 2dx2y2 -0.034971 -0.009594 -0.031030 -0.015182 0.026985 -0.004978 33O 2dxy 0.015598 0.030361 0.001865 -0.014840 -0.004916 0.011981 33O 1f0 0.000181 0.001813 0.000480 -0.000137 -0.003299 0.001236 33O 1f+1 0.001523 0.001698 0.001980 -0.000623 0.000277 0.001058 33O 1f-1 -0.000823 0.003598 0.001843 0.000686 0.000049 0.000057 33O 1f+2 -0.000237 -0.002816 -0.001065 -0.002433 0.004481 -0.001451 33O 1f-2 -0.000814 -0.001659 -0.001572 0.001019 -0.000111 -0.000845 33O 1f+3 -0.000197 -0.000489 -0.000879 -0.001068 0.003551 -0.001043 33O 1f-3 -0.000968 -0.000548 -0.002039 0.001482 -0.001312 -0.000517 34O 1s -0.005630 -0.001579 -0.009767 0.005207 0.000391 -0.008396 34O 2s -0.012535 -0.004755 -0.021827 0.011468 0.001790 -0.019225 34O 3s 0.004713 0.023216 0.004933 0.005124 -0.020189 0.015725 34O 4s 0.149556 -0.130373 0.411985 -0.242004 0.061786 0.325242 34O 5s -0.371288 1.029658 -1.997737 0.389472 0.082691 -1.779140 34O 1pz -0.040058 -0.037903 -0.008366 0.014982 0.019101 0.032325 34O 1px 0.017535 0.038968 -0.009000 0.087512 -0.016313 0.000628 34O 1py -0.010707 0.011624 -0.002849 -0.073895 0.033867 -0.017757 34O 2pz -0.139432 -0.114197 0.011367 0.030395 0.079892 0.094993 34O 2px -0.041343 0.056561 -0.130443 0.152647 0.002049 -0.106660 34O 2py 0.001883 0.105262 -0.032232 -0.119357 0.045919 -0.041331 34O 3pz 0.795512 0.490897 -0.120625 -0.328788 -0.631630 -0.368291 34O 3px 0.026973 0.128512 -0.841560 -0.578147 0.249318 -1.031815 34O 3py -0.015993 -0.932210 0.365956 0.443052 -0.240329 0.398983 34O 1dz2 -0.000690 -0.000051 -0.002592 -0.000076 0.000798 -0.002403 34O 1dxz -0.008032 0.001268 0.002508 0.002837 0.005313 0.001080 34O 1dyz 0.002776 -0.001591 -0.001625 0.001809 0.000432 -0.003606 34O 1dx2y2 -0.001855 -0.001267 0.009081 0.001873 0.001889 0.008385 34O 1dxy -0.003374 0.001913 -0.001527 -0.000260 0.004435 0.001885 34O 2dz2 0.048493 -0.000142 0.047228 -0.000802 -0.026892 0.039303 34O 2dxz -0.005107 -0.000312 0.009907 -0.002694 0.015174 0.009727 34O 2dyz -0.015287 -0.009587 0.009369 -0.019411 0.020893 -0.021312 34O 2dx2y2 0.003468 -0.000258 -0.008971 -0.024322 0.015231 -0.034065 34O 2dxy -0.003236 0.006548 0.017368 0.005195 -0.015216 0.029741 34O 1f0 -0.002079 -0.001651 -0.000605 0.002160 0.001524 -0.000144 34O 1f+1 -0.001324 -0.001289 0.003212 0.001518 0.000044 0.004352 34O 1f-1 0.000863 -0.000750 -0.001471 -0.001175 -0.000189 0.000033 34O 1f+2 0.001136 -0.003857 -0.000308 -0.000447 -0.001127 0.001479 34O 1f-2 -0.001566 -0.001331 -0.001284 0.000528 0.001548 -0.001429 34O 1f+3 -0.000214 -0.000488 0.001501 0.000165 -0.001615 0.004023 34O 1f-3 -0.003430 -0.001683 0.000643 -0.000081 0.002511 0.000918 35O 1s -0.007432 -0.000202 0.002300 0.006007 0.000232 0.002265 35O 2s -0.016995 0.000781 0.004870 0.013471 0.001179 0.004261 35O 3s 0.014516 -0.026474 0.007937 -0.001127 -0.015636 0.017611 35O 4s 0.208650 0.191264 -0.122287 -0.262878 0.018282 -0.159421 35O 5s -0.830988 -0.694738 -0.014730 1.248271 0.257672 0.112291 35O 1pz -0.008884 0.017005 0.045689 -0.000625 -0.005055 0.000252 35O 1px 0.008174 -0.061197 0.055632 0.020831 0.011626 0.014001 35O 1py -0.035242 -0.010202 0.048701 0.008644 -0.005111 0.052370 35O 2pz -0.020080 0.143805 0.088737 -0.023343 -0.000998 -0.023322 35O 2px -0.061982 -0.073091 0.071857 0.100491 0.028489 -0.005375 35O 2py -0.140331 0.053394 0.058960 -0.008897 -0.002903 0.121484 35O 3pz 0.030134 -0.892530 -0.415635 0.106530 0.000465 0.173075 35O 3px -0.466332 0.317576 -0.448023 0.096262 0.313701 -0.138765 35O 3py 0.469008 -0.571093 -0.356184 0.561504 0.071363 -0.800243 35O 1dz2 -0.003015 -0.002326 -0.003408 0.003735 -0.002273 -0.002145 35O 1dxz 0.000598 -0.001804 0.001172 0.002533 0.000435 -0.004259 35O 1dyz 0.001328 -0.001561 0.000892 -0.000052 -0.000703 -0.000773 35O 1dx2y2 0.004635 -0.001634 -0.001207 0.003756 -0.004669 -0.003550 35O 1dxy 0.000042 0.001724 0.001866 -0.006063 0.001852 0.004521 35O 2dz2 0.006224 -0.033379 0.005118 -0.001903 -0.018329 0.020307 35O 2dxz -0.005802 0.008429 -0.018899 -0.000407 0.019852 -0.008471 35O 2dyz -0.011750 0.004493 0.029895 0.021937 -0.000013 -0.013171 35O 2dx2y2 -0.023263 -0.012261 -0.026655 0.008397 -0.000597 -0.013482 35O 2dxy -0.025084 0.015412 -0.015601 0.004881 0.025666 -0.005874 35O 1f0 0.000216 -0.001844 0.000125 0.002631 0.000095 -0.001734 35O 1f+1 0.001181 0.000098 0.000227 0.000877 -0.003463 0.000254 35O 1f-1 0.001714 -0.003929 -0.000572 -0.000247 0.000419 0.000157 35O 1f+2 -0.001873 0.002941 -0.001695 0.000426 -0.000519 0.000438 35O 1f-2 0.000531 0.000379 -0.000455 -0.000321 -0.001091 0.001235 35O 1f+3 0.001542 0.000615 0.000495 0.001654 -0.002702 -0.000841 35O 1f-3 0.000714 0.000153 0.002337 -0.003334 -0.000686 0.002804 252 253 254 255 256 257 0.85007 0.86335 0.86487 0.89325 0.89681 0.90643 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s -0.000803 -0.000150 0.000093 0.000027 0.000735 -0.001849 0Rh 2s 0.001413 0.001020 -0.001308 -0.000383 -0.002614 0.005893 0Rh 3s -0.003815 -0.000246 -0.000262 -0.000076 0.002680 -0.007168 0Rh 4s -0.005707 -0.004832 0.006470 0.001892 0.011925 -0.026426 0Rh 5s -0.010532 0.007789 -0.015189 -0.004585 -0.008813 0.010353 0Rh 6s 0.076321 -0.005084 0.029256 0.010300 -0.032811 0.113174 0Rh 7s -0.307303 -0.035199 -0.090749 -0.098607 0.198987 -0.936064 0Rh 8s 0.097746 0.253946 -0.011715 -0.199044 0.404142 0.101616 0Rh 1pz -0.000697 -0.000541 0.005957 0.009552 -0.010678 0.014908 0Rh 1px 0.004685 -0.005927 0.005509 0.004629 0.002884 -0.002332 0Rh 1py -0.000645 0.008330 -0.001476 -0.006238 0.000029 0.005459 0Rh 2pz 0.002459 0.002095 -0.020224 -0.032660 0.036233 -0.050781 0Rh 2px -0.015901 0.019946 -0.018384 -0.015824 -0.009640 0.008173 0Rh 2py 0.002477 -0.028346 0.005091 0.021180 -0.000032 -0.018463 0Rh 3pz -0.002906 -0.006280 0.008927 0.019021 -0.015554 0.025577 0Rh 3px 0.007280 -0.005649 0.001919 0.009128 0.001601 -0.009385 0Rh 3py -0.006516 0.013938 -0.003854 -0.009425 -0.001278 0.006510 0Rh 4pz -0.001958 0.015728 0.072775 0.096253 -0.128952 0.165032 0Rh 4px 0.053357 -0.079695 0.088412 0.046813 0.040614 -0.000365 0Rh 4py 0.010971 0.095202 -0.013309 -0.073532 0.005089 0.072239 0Rh 5pz 0.001181 -0.062071 -0.123526 -0.116049 0.183148 -0.210825 0Rh 5px -0.061151 0.090695 -0.138762 -0.055311 -0.024176 -0.066940 0Rh 5py -0.030066 -0.148279 0.049152 0.103300 -0.012585 -0.111710 0Rh 6pz 0.499654 0.176826 0.791430 0.724374 -1.897728 1.895360 0Rh 6px 0.121043 -0.060945 0.545936 0.460343 -0.742930 1.934977 0Rh 6py 1.430474 0.822459 -0.996413 -1.393539 0.097855 1.564947 0Rh 1dz2 0.003631 -0.019547 -0.009706 0.036778 0.011174 0.009944 0Rh 1dxz 0.006691 0.024528 0.019754 0.003907 -0.013821 -0.002227 0Rh 1dyz -0.003628 -0.006320 0.011968 -0.014926 0.000689 -0.009284 0Rh 1dx2y2 -0.013913 0.003988 0.009860 0.018912 0.001535 0.007237 0Rh 1dxy 0.026374 0.025013 -0.034546 -0.007445 0.001045 0.004291 0Rh 2dz2 -0.001396 0.004011 0.002264 -0.006840 -0.003175 -0.001304 0Rh 2dxz -0.001597 -0.005577 -0.003465 -0.001058 0.002369 0.000371 0Rh 2dyz -0.001121 0.001065 -0.001423 0.003591 -0.001026 0.002093 0Rh 2dx2y2 0.002862 -0.000837 -0.002613 -0.004468 0.001077 -0.002501 0Rh 2dxy -0.006008 -0.004747 0.007666 0.001829 0.000155 -0.001596 0Rh 3dz2 -0.001248 0.023064 0.010120 -0.046646 -0.009589 -0.015117 0Rh 3dxz -0.006886 -0.026687 -0.025785 -0.003663 0.018414 0.002925 0Rh 3dyz 0.012372 0.008444 -0.018484 0.015577 0.002966 0.010211 0Rh 3dx2y2 0.016055 -0.004673 -0.008977 -0.020004 -0.007565 -0.004218 0Rh 3dxy -0.027947 -0.031090 0.038111 0.007421 -0.002681 -0.001951 0Rh 4dz2 -0.026026 0.071131 0.042006 -0.128714 -0.053523 -0.024251 0Rh 4dxz -0.028265 -0.098109 -0.062873 -0.016924 0.044780 0.008583 0Rh 4dyz -0.019176 0.018936 -0.027695 0.062803 -0.015678 0.038463 0Rh 4dx2y2 0.052111 -0.014133 -0.045957 -0.080550 0.011283 -0.045054 0Rh 4dxy -0.113395 -0.086650 0.134205 0.033945 0.000158 -0.028784 0Rh 5dz2 0.181354 -0.119196 -0.130212 0.284509 0.141277 -0.013701 0Rh 5dxz 0.055067 0.205154 0.062499 0.023767 -0.053639 -0.025040 0Rh 5dyz 0.350105 -0.016958 -0.049836 -0.079427 0.093092 -0.138426 0Rh 5dx2y2 -0.074898 0.013564 0.125311 0.231150 -0.050186 0.161211 0Rh 5dxy 0.396864 0.134651 -0.254754 -0.077272 -0.000429 0.104284 0Rh 1f0 0.003352 -0.003739 -0.006758 0.007027 0.003080 -0.006576 0Rh 1f+1 -0.003907 -0.013702 -0.001820 -0.005435 0.007094 -0.000311 0Rh 1f-1 0.008115 -0.007175 -0.005488 0.004070 0.001871 -0.022550 0Rh 1f+2 0.000254 -0.000454 0.008652 0.019738 -0.007296 0.020649 0Rh 1f-2 -0.001887 -0.007216 0.011087 -0.002400 -0.004208 0.000208 0Rh 1f+3 -0.002313 -0.003169 -0.006347 -0.007235 0.003787 0.000151 0Rh 1f-3 0.008637 -0.013744 0.014825 0.005269 0.004905 -0.001451 1Rh 1s 0.000789 -0.000100 0.000056 0.000032 0.000872 0.001789 1Rh 2s -0.001387 0.000872 -0.001220 0.000178 -0.003069 -0.005764 1Rh 3s 0.003749 -0.000048 -0.000426 0.000299 0.003202 0.006897 1Rh 4s 0.005604 -0.004177 0.006094 -0.000962 0.013974 0.025882 1Rh 5s 0.010341 0.007648 -0.015379 0.003988 -0.009838 -0.010832 1Rh 6s -0.074863 -0.008387 0.032104 -0.013250 -0.040466 -0.107842 1Rh 7s 0.299227 -0.012335 -0.107525 0.117541 0.262937 0.910648 1Rh 8s -0.100612 0.264608 0.026516 0.222462 0.376774 -0.130060 1Rh 1pz -0.000764 0.000677 -0.006081 0.010580 0.010704 0.014422 1Rh 1px 0.004502 0.005789 -0.005856 0.004600 -0.003438 -0.002547 1Rh 1py -0.000291 -0.008248 0.001658 -0.006054 0.000797 0.005921 1Rh 2pz 0.002686 -0.002549 0.020655 -0.036150 -0.036315 -0.049126 1Rh 2px -0.015287 -0.019471 0.019557 -0.015731 0.011550 0.008891 1Rh 2py 0.001280 0.028059 -0.005736 0.020550 -0.002770 -0.020033 1Rh 3pz -0.003035 0.006363 -0.009255 0.020530 0.015484 0.024785 1Rh 3px 0.007116 0.005332 -0.002311 0.009160 -0.003119 -0.009467 1Rh 3py -0.006127 -0.013606 0.004695 -0.009026 0.002441 0.007174 1Rh 4pz -0.002658 -0.013769 -0.073732 0.108657 0.129547 0.159397 1Rh 4px 0.050817 0.078530 -0.093021 0.046432 -0.044261 -0.003877 1Rh 4py 0.015754 -0.095040 0.013406 -0.071807 0.005089 0.077960 1Rh 5pz 0.002540 0.059587 0.124297 -0.133650 -0.183525 -0.202411 1Rh 5px -0.057526 -0.089961 0.145555 -0.056969 0.023614 -0.060929 1Rh 5py -0.037399 0.148500 -0.047676 0.101397 -0.002703 -0.120705 1Rh 6pz 0.465573 -0.141536 -0.800335 0.894649 1.911548 1.794387 1Rh 6px 0.111544 0.081973 -0.590263 0.524777 0.842540 1.880431 1Rh 6py 1.412584 -0.801582 0.948040 -1.366300 0.106769 1.671449 1Rh 1dz2 -0.003875 -0.019768 -0.008915 -0.035873 0.012934 -0.010539 1Rh 1dxz -0.006698 0.023445 0.019713 -0.004901 -0.013589 0.003351 1Rh 1dyz 0.004103 -0.005994 0.011386 0.015038 0.000107 0.008954 1Rh 1dx2y2 0.014220 0.003043 0.009106 -0.018713 0.002095 -0.007808 1Rh 1dxy -0.027821 0.024502 -0.033174 0.007064 0.000415 -0.005085 1Rh 2dz2 0.001446 0.004030 0.002071 0.006608 -0.003512 0.001472 1Rh 2dxz 0.001602 -0.005375 -0.003478 0.001218 0.002307 -0.000550 1Rh 2dyz 0.001054 0.001021 -0.001365 -0.003653 -0.000853 -0.001998 1Rh 2dx2y2 -0.002936 -0.000618 -0.002455 0.004504 0.001002 0.002522 1Rh 2dxy 0.006286 -0.004637 0.007359 -0.001699 0.000361 0.001706 1Rh 3dz2 0.001530 0.023442 0.009329 0.045763 -0.011777 0.015634 1Rh 3dxz 0.006877 -0.025326 -0.025650 0.005030 0.018201 -0.004482 1Rh 3dyz -0.013058 0.007963 -0.017541 -0.015546 0.003434 -0.009935 1Rh 3dx2y2 -0.016365 -0.003678 -0.008120 0.019454 -0.008407 0.005298 1Rh 3dxy 0.029714 -0.030516 0.036619 -0.007180 -0.002275 0.003114 1Rh 4dz2 0.026994 0.071527 0.038491 0.124733 -0.059960 0.027129 1Rh 4dxz 0.028402 -0.094308 -0.062985 0.019989 0.043647 -0.011958 1Rh 4dyz 0.017886 0.018041 -0.026481 -0.063760 -0.012745 -0.036888 1Rh 4dx2y2 -0.053414 -0.010058 -0.042996 0.080777 0.009890 0.045819 1Rh 4dxy 0.118507 -0.084531 0.128512 -0.031848 0.003931 0.030934 1Rh 5dz2 -0.183755 -0.118570 -0.118385 -0.274967 0.157507 0.005754 1Rh 5dxz -0.056748 0.197652 0.063518 -0.026549 -0.051146 0.027452 1Rh 5dyz -0.348978 -0.017520 -0.045326 0.083768 0.089186 0.134823 1Rh 5dx2y2 0.078397 0.001294 0.117629 -0.233751 -0.048175 -0.158011 1Rh 5dxy -0.405804 0.127571 -0.238247 0.071652 -0.013170 -0.104400 1Rh 1f0 0.003362 0.003785 0.006771 0.006895 -0.004210 -0.006285 1Rh 1f+1 -0.003943 0.013872 0.002242 -0.005929 -0.006737 -0.000161 1Rh 1f-1 0.007872 0.007243 0.005359 0.003798 -0.003204 -0.022636 1Rh 1f+2 0.000111 0.000569 -0.008797 0.020643 0.006794 0.019819 1Rh 1f-2 -0.002448 0.007028 -0.011199 -0.002216 0.004127 -0.000439 1Rh 1f+3 -0.002061 0.003263 0.006752 -0.007342 -0.002997 0.000160 1Rh 1f-3 0.008155 0.013948 -0.015320 0.004718 -0.005176 -0.001651 2C 1s -0.003144 -0.001656 -0.002101 -0.000799 0.001531 -0.003099 2C 2s -0.010147 -0.003946 -0.004893 -0.000838 0.005344 -0.009766 2C 3s 0.147773 0.026652 -0.036973 -0.065429 -0.066862 0.121308 2C 4s -0.899051 -0.258931 0.293393 0.380675 0.437274 -0.533209 2C 5s 3.875155 2.938858 1.417381 0.479637 -2.395486 0.738439 2C 1pz 0.034810 0.029029 -0.010487 0.029608 -0.045962 0.069256 2C 1px -0.047219 -0.074711 -0.030172 -0.027648 -0.100800 0.090280 2C 1py 0.060934 0.035624 0.018856 -0.075195 -0.033625 0.004056 2C 2pz -0.113188 0.027211 0.023528 0.222298 -0.051791 0.058223 2C 2px -0.192322 -0.113851 -0.087911 0.108882 -0.362580 0.219153 2C 2py 0.163108 0.226626 0.291198 -0.133725 -0.116372 -0.201125 2C 3pz 0.487869 0.568099 0.163934 0.276562 -0.465042 0.166890 2C 3px 0.127893 -0.089619 0.110169 0.129046 -0.462891 0.460755 2C 3py 0.640802 0.460942 0.423983 -0.227317 -0.383123 -0.064549 2C 1dz2 0.000552 -0.001253 0.003339 -0.004011 0.001606 -0.001918 2C 1dxz -0.002456 0.002053 0.000197 0.001098 0.002280 -0.002996 2C 1dyz -0.002775 -0.001066 0.001325 0.002264 -0.000352 -0.002898 2C 1dx2y2 0.003382 0.001524 0.001139 -0.003054 -0.000737 0.001711 2C 1dxy -0.000810 0.001611 -0.001360 0.001576 0.002546 0.000202 2C 2dz2 0.026992 0.255802 -0.019941 0.169663 -0.207467 0.011957 2C 2dxz 0.423613 0.129447 0.227635 -0.221791 0.082120 -0.148856 2C 2dyz 0.091393 0.010402 -0.049779 -0.161161 -0.455378 0.300741 2C 2dx2y2 -0.160360 -0.258981 0.039356 -0.060039 -0.340493 0.241934 2C 2dxy -0.010895 -0.225804 -0.177966 0.165525 -0.065209 0.396411 2C 1f0 -0.010774 -0.002401 0.006925 -0.002866 -0.013707 -0.000578 2C 1f+1 -0.000318 -0.003050 -0.006819 0.006181 -0.008633 0.010281 2C 1f-1 0.001931 0.005600 0.002290 0.002539 -0.005541 0.000448 2C 1f+2 0.011031 0.006188 -0.001265 -0.001308 0.009356 -0.005250 2C 1f-2 0.003731 0.003931 0.010184 0.002467 0.010821 -0.016855 2C 1f+3 0.017266 0.011796 0.004444 -0.008611 -0.014347 -0.000670 2C 1f-3 -0.005216 -0.005643 -0.006018 -0.001566 -0.015738 0.015001 3C 1s 0.001051 0.000671 0.000576 -0.001512 -0.000688 -0.002340 3C 2s 0.004778 0.002122 0.002696 -0.005433 -0.000451 -0.005596 3C 3s -0.131517 -0.014078 -0.033445 0.085129 -0.080809 0.007600 3C 4s 0.775610 0.082388 0.045686 -0.333655 0.632515 0.043002 3C 5s -1.407337 -0.925919 -0.332273 -0.168750 -0.355528 1.156693 3C 1pz -0.054619 0.001114 0.018520 0.003088 0.064587 0.031823 3C 1px 0.041347 -0.005039 -0.041695 0.095436 -0.040461 -0.003490 3C 1py 0.032539 0.015387 0.039376 -0.014019 0.071764 0.019494 3C 2pz -0.072819 -0.037880 0.043661 -0.058930 0.442813 0.057310 3C 2px 0.227793 -0.104459 0.099279 0.100314 -0.063422 0.018605 3C 2py -0.174256 -0.020298 0.119977 0.134620 0.163901 -0.059102 3C 3pz -0.591685 -0.192285 -0.030747 0.103794 0.233468 0.119089 3C 3px -0.003798 -0.254452 -0.029606 0.243189 -0.054677 0.464173 3C 3py 0.027151 0.060366 0.192988 0.172574 0.182209 -0.200843 3C 1dz2 -0.001690 -0.001340 -0.001936 0.002670 -0.001606 -0.006163 3C 1dxz 0.000721 0.001361 0.000216 -0.001414 -0.000397 -0.001001 3C 1dyz -0.000071 0.000596 0.001024 -0.000324 -0.000107 0.003125 3C 1dx2y2 -0.002143 0.000765 0.000926 0.000756 -0.003103 -0.003374 3C 1dxy -0.003203 -0.000656 -0.002221 0.003412 -0.003031 -0.001286 3C 2dz2 -0.042533 -0.008508 0.169670 -0.032760 0.274104 0.165864 3C 2dxz -0.307966 0.116700 -0.080296 -0.270819 -0.012074 0.088996 3C 2dyz -0.196388 0.021479 0.022388 -0.036544 0.527624 -0.113120 3C 2dx2y2 0.177740 0.071476 -0.160849 0.103680 -0.184878 0.153402 3C 2dxy 0.159373 0.061386 0.206349 -0.247910 -0.072427 -0.073325 3C 1f0 0.007931 0.005251 0.000199 -0.002046 -0.007492 0.002979 3C 1f+1 0.014048 -0.001710 0.000782 0.005171 -0.008336 0.002581 3C 1f-1 -0.001821 -0.002153 0.003107 0.001250 0.017762 -0.008149 3C 1f+2 -0.009942 -0.000375 0.001373 0.003756 -0.009527 -0.000719 3C 1f-2 -0.006558 0.002023 -0.000281 0.000824 -0.000893 -0.000373 3C 1f+3 -0.005242 0.003593 -0.006585 -0.007803 -0.014264 0.001829 3C 1f-3 -0.013454 0.005227 0.001542 -0.009722 0.015863 0.001988 4C 1s -0.001611 0.003830 0.006962 0.001475 0.008796 -0.005915 4C 2s -0.003087 0.008928 0.015940 0.002830 0.025009 -0.016622 4C 3s -0.149848 0.034977 0.019077 0.081919 -0.168570 -0.010154 4C 4s 1.345019 -0.334305 -0.309908 -0.573687 0.201924 0.604540 4C 5s 0.660904 -1.605367 -1.052659 -1.246699 -0.223068 2.925094 4C 1pz -0.000753 -0.031170 0.021161 -0.002370 0.029855 0.014334 4C 1px -0.033799 0.072236 -0.030300 0.024541 -0.003935 -0.050898 4C 1py -0.035134 0.003983 -0.008287 0.063569 -0.022288 -0.017475 4C 2pz 0.464088 0.320013 -0.017412 -0.019183 -0.297386 0.238516 4C 2px -0.269904 -0.672237 -0.204160 -0.314484 -0.204955 -0.107550 4C 2py 0.206912 -0.059428 -0.077441 -0.117776 -0.253693 0.096729 4C 3pz 1.997673 1.510008 0.874699 0.383801 -0.763371 0.595047 4C 3px -1.860508 -1.593853 -0.389737 -0.988518 -0.221176 0.087341 4C 3py 0.657946 0.283594 0.345472 0.025507 -0.652400 0.753962 4C 1dz2 0.004570 0.005480 0.003768 0.002359 -0.000484 -0.001536 4C 1dxz -0.010986 -0.004570 0.002582 -0.002454 -0.000708 -0.004876 4C 1dyz 0.002564 0.002315 0.002509 0.001485 -0.009658 0.006430 4C 1dx2y2 0.008358 -0.000754 -0.003917 -0.005722 0.000095 0.001994 4C 1dxy -0.004802 -0.008834 -0.001414 -0.002944 -0.003500 0.005462 4C 2dz2 -0.195904 0.068121 -0.182801 0.191640 -0.016262 0.041673 4C 2dxz -0.099449 -0.198954 -0.023129 -0.035047 -0.000806 -0.162860 4C 2dyz 0.257319 0.062745 -0.096830 -0.254356 -0.064814 0.110931 4C 2dx2y2 0.148635 -0.075255 -0.001725 0.056068 -0.219884 0.276303 4C 2dxy 0.034621 -0.279573 -0.216551 -0.065908 -0.024852 0.210177 4C 1f0 -0.006526 -0.005139 -0.000640 0.004771 0.005292 -0.007135 4C 1f+1 -0.024562 0.006205 0.005590 0.010456 -0.004168 -0.015255 4C 1f-1 -0.003430 0.011443 0.006962 0.006872 0.000427 -0.009471 4C 1f+2 0.012025 0.008647 -0.004739 -0.001926 -0.000555 0.020786 4C 1f-2 -0.008157 -0.005329 -0.004878 -0.001161 -0.004534 -0.001012 4C 1f+3 -0.003731 0.016885 -0.002439 0.007488 0.000116 0.003897 4C 1f-3 -0.020729 0.018958 0.005826 0.011897 0.002065 -0.013418 5C 1s -0.001954 0.003817 0.000583 -0.000608 0.012772 0.003709 5C 2s -0.006864 0.010454 0.002134 -0.001665 0.032942 0.009230 5C 3s 0.182577 -0.061361 0.004716 -0.075644 -0.090092 -0.000248 5C 4s -1.062154 -0.066937 -0.233732 0.606045 -0.160714 -0.248125 5C 5s -0.597702 -0.104571 -0.574187 1.713351 -1.366430 -1.292279 5C 1pz 0.020352 -0.024107 -0.028942 0.015752 0.002364 -0.047437 5C 1px 0.024207 0.005241 0.095618 -0.044060 -0.014752 -0.052330 5C 1py -0.049874 0.004170 -0.018293 0.018667 -0.009891 -0.049896 5C 2pz -0.122829 -0.077346 0.123054 -0.134650 -0.181200 0.093295 5C 2px 0.047021 0.116502 -0.564501 0.420962 -0.142045 -0.430230 5C 2py 0.157336 0.080467 -0.008728 0.090765 0.307197 -0.059694 5C 3pz -0.134658 -0.299755 0.040209 -0.439023 0.045222 0.687157 5C 3px 1.205932 0.152352 -1.573017 1.162109 0.005882 -0.798686 5C 3py 0.901754 0.578250 0.372427 -0.196079 -0.402653 -0.431943 5C 1dz2 0.003610 0.000435 0.003396 -0.004814 0.003962 -0.001832 5C 1dxz 0.007180 -0.001247 -0.006376 0.000122 0.001250 0.000162 5C 1dyz 0.003903 0.000959 0.002155 -0.001523 0.004756 -0.001981 5C 1dx2y2 -0.003000 0.000605 -0.003031 0.006907 -0.005563 -0.003014 5C 1dxy -0.009528 0.000620 0.004814 -0.004512 -0.000404 0.001389 5C 2dz2 0.187978 -0.023546 0.216650 -0.180831 0.329543 0.268035 5C 2dxz -0.104866 0.129184 -0.123215 -0.008487 0.025735 0.083793 5C 2dyz 0.130050 0.024287 -0.107567 -0.042605 0.207947 -0.095843 5C 2dx2y2 -0.002812 0.011038 -0.144150 0.137928 0.016031 0.084829 5C 2dxy 0.058575 -0.009685 0.161898 -0.145130 -0.027931 0.152234 5C 1f0 -0.000851 0.000083 -0.013634 0.008906 0.005751 -0.003824 5C 1f+1 0.010126 -0.000369 0.012894 -0.011775 0.004147 0.007618 5C 1f-1 0.000558 0.003319 -0.003749 0.002409 -0.006912 -0.000382 5C 1f+2 -0.000364 0.000663 0.008313 0.002938 -0.004988 0.001656 5C 1f-2 -0.009545 -0.003268 0.009354 0.001470 -0.005817 0.004916 5C 1f+3 0.022441 -0.004465 0.017037 -0.017237 0.005517 0.006570 5C 1f-3 -0.012844 -0.000426 0.001740 0.014636 -0.007446 -0.003755 6C 1s 0.001926 0.004103 0.000790 0.001354 0.012680 -0.004395 6C 2s 0.006782 0.011161 0.002524 0.003597 0.032713 -0.010973 6C 3s -0.181987 -0.061509 0.014019 0.070622 -0.096879 0.002654 6C 4s 1.064564 -0.079786 -0.297581 -0.619501 -0.108820 0.269444 6C 5s 0.549105 -0.183300 -0.712589 -1.782352 -1.215254 1.410115 6C 1pz 0.020996 0.023531 0.027894 0.015858 -0.005004 -0.047429 6C 1px 0.023729 -0.006115 -0.096900 -0.044349 0.014660 -0.053417 6C 1py -0.048902 -0.005879 0.021256 0.019095 0.005641 -0.049639 6C 2pz -0.137508 0.078390 -0.122521 -0.122463 0.198418 0.086897 6C 2px 0.077294 -0.109590 0.582617 0.423053 0.085270 -0.437591 6C 2py 0.170042 -0.083780 0.003052 0.071712 -0.318485 -0.047562 6C 3pz -0.189710 0.292334 -0.080215 -0.434766 0.007205 0.710625 6C 3px 1.278982 -0.142725 1.571873 1.157514 -0.129449 -0.791667 6C 3py 0.940068 -0.556794 -0.349769 -0.179156 0.405109 -0.498411 6C 1dz2 -0.003663 0.000391 0.003535 0.005087 0.003683 0.001594 6C 1dxz -0.007329 -0.001107 -0.006029 -0.000039 0.001232 -0.000228 6C 1dyz -0.004064 0.000772 0.002028 0.001848 0.004579 0.001726 6C 1dx2y2 0.002745 0.000508 -0.003507 -0.007220 -0.004874 0.003497 6C 1dxy 0.009881 0.000807 0.004676 0.004533 -0.000799 -0.001443 6C 2dz2 -0.186347 -0.030493 0.225084 0.200465 0.302234 -0.285398 6C 2dxz 0.102302 0.137515 -0.123129 0.008725 0.022135 -0.090692 6C 2dyz -0.136365 0.032013 -0.094118 0.054803 0.210899 0.085739 6C 2dx2y2 0.000431 0.004070 -0.144224 -0.137933 0.021275 -0.082787 6C 2dxy -0.046902 -0.000500 0.174871 0.138896 -0.047246 -0.149483 6C 1f0 -0.000168 -0.000123 0.013814 0.008467 -0.006752 -0.003470 6C 1f+1 0.009842 -0.000015 -0.013741 -0.011894 -0.002780 0.007998 6C 1f-1 0.000692 -0.003309 0.003827 0.002794 0.006592 -0.000785 6C 1f+2 -0.000522 -0.000579 -0.008179 0.003259 0.004931 0.001316 6C 1f-2 -0.010262 0.003416 -0.008880 0.001938 0.005967 0.004445 6C 1f+3 0.022082 0.004455 -0.018238 -0.017702 -0.003739 0.006832 6C 1f-3 -0.012729 0.000961 -0.000612 0.014994 0.006331 -0.004430 7C 1s 0.001702 0.003852 0.006789 -0.000888 0.009058 0.005367 7C 2s 0.003313 0.008904 0.015520 -0.001172 0.025662 0.015043 7C 3s 0.149201 0.043622 0.016615 -0.092885 -0.160486 0.022905 7C 4s -1.344028 -0.394388 -0.280930 0.584618 0.131041 -0.625254 7C 5s -0.650660 -1.698908 -1.009565 1.245791 -0.423026 -2.924903 7C 1pz -0.000559 0.028995 -0.023141 -0.003845 -0.028068 0.014282 7C 1px -0.034323 -0.073054 0.032846 0.024386 -0.002158 -0.051097 7C 1py -0.035013 -0.004887 0.010132 0.064660 0.016429 -0.019231 7C 2pz 0.477946 -0.312890 -0.000273 0.000573 0.313543 0.225521 7C 2px -0.292569 0.668522 0.222666 -0.299112 0.209059 -0.115353 7C 2py 0.207781 0.062475 0.073618 -0.100540 0.264761 0.087129 7C 3pz 2.033274 -1.496928 -0.915001 0.441701 0.788817 0.547172 7C 3px -1.922933 1.592928 0.463092 -0.973193 0.263875 0.089664 7C 3py 0.652799 -0.303348 -0.367412 0.071877 0.674184 0.715017 7C 1dz2 -0.004684 0.005639 0.003991 -0.002318 -0.000510 0.001591 7C 1dxz 0.011221 -0.004410 0.002186 0.002350 -0.000600 0.004894 7C 1dyz -0.002607 0.002252 0.002485 -0.002027 -0.009726 -0.005905 7C 1dx2y2 -0.008394 -0.001311 -0.003781 0.005752 -0.000489 -0.002198 7C 1dxy 0.005104 -0.008718 -0.001507 0.002577 -0.003939 -0.005355 7C 2dz2 0.189341 0.071393 -0.184608 -0.195417 -0.000514 -0.044074 7C 2dxz 0.103764 -0.198104 -0.031449 0.036432 0.009562 0.165043 7C 2dyz -0.258481 0.047619 -0.091683 0.249377 -0.088576 -0.111575 7C 2dx2y2 -0.152043 -0.082586 0.001590 -0.068522 -0.224294 -0.264422 7C 2dxy -0.032314 -0.274432 -0.211961 0.061081 -0.039244 -0.213161 7C 1f0 -0.006496 0.004368 0.000421 0.004399 -0.005929 -0.006960 7C 1f+1 -0.024739 -0.007085 -0.004798 0.010703 0.002508 -0.015699 7C 1f-1 -0.003130 -0.011884 -0.007020 0.006840 -0.001309 -0.009665 7C 1f+2 0.012420 -0.007828 0.004233 -0.001886 0.001636 0.021045 7C 1f-2 -0.008396 0.005130 0.005299 -0.000798 0.004413 -0.001184 7C 1f+3 -0.003440 -0.016789 0.002501 0.007459 -0.000357 0.004118 7C 1f-3 -0.020455 -0.019512 -0.005220 0.011746 -0.003488 -0.013557 8C 1s -0.001136 0.000620 0.000487 0.001466 -0.000738 0.002404 8C 2s -0.005000 0.001992 0.002596 0.005408 -0.000711 0.005695 8C 3s 0.133439 -0.014717 -0.040883 -0.089733 -0.074080 -0.004422 8C 4s -0.793739 0.089240 0.090754 0.369909 0.602184 -0.070759 8C 5s 1.542587 -0.884306 -0.266897 0.131142 -0.386274 -1.209183 8C 1pz -0.054917 -0.001078 -0.016830 -0.000344 -0.062890 0.037717 8C 1px 0.044490 0.008789 0.042164 0.097289 0.035466 -0.007420 8C 1py 0.034086 -0.013422 -0.040161 -0.018198 -0.068275 0.021328 8C 2pz -0.070320 0.040160 -0.043784 -0.083419 -0.431336 0.088365 8C 2px 0.234910 0.115220 -0.106303 0.101518 0.064059 0.007103 8C 2py -0.167186 0.029803 -0.102346 0.124140 -0.170835 -0.053833 8C 3pz -0.602381 0.184503 0.041012 0.092414 -0.239449 0.151293 8C 3px -0.007391 0.262490 0.012968 0.243122 0.067536 0.457288 8C 3py 0.052395 -0.042153 -0.168308 0.157177 -0.187883 -0.208444 8C 1dz2 0.001635 -0.001242 -0.002015 -0.002735 -0.001111 0.006233 8C 1dxz -0.000786 0.001475 0.000294 0.001358 -0.000460 0.000905 8C 1dyz 0.000096 0.000517 0.000943 0.000333 -0.000279 -0.003283 8C 1dx2y2 0.002146 0.000776 0.000801 -0.000889 -0.002915 0.003500 8C 1dxy 0.003238 -0.000643 -0.002321 -0.003625 -0.002706 0.001499 8C 2dz2 0.045486 -0.011791 0.168202 0.053712 0.261454 -0.182053 8C 2dxz 0.319977 0.133205 -0.085713 0.265735 -0.033040 -0.102087 8C 2dyz 0.192964 0.026391 0.015298 0.068162 0.526174 0.082281 8C 2dx2y2 -0.180149 0.068531 -0.151565 -0.118889 -0.181564 -0.134167 8C 2dxy -0.160534 0.069448 0.212398 0.240824 -0.085472 0.080111 8C 1f0 0.008120 -0.005340 -0.000670 -0.001460 0.007595 0.002137 8C 1f+1 0.014083 0.002231 -0.001148 0.005641 0.008278 0.001647 8C 1f-1 -0.001512 0.002152 -0.003040 0.000153 -0.018056 -0.007264 8C 1f+2 -0.010127 0.000630 -0.000784 0.004229 0.008881 -0.001300 8C 1f-2 -0.006715 -0.002078 0.000802 0.000946 0.001130 -0.000184 8C 1f+3 -0.005633 -0.004024 0.006369 -0.006704 0.014781 0.001394 8C 1f-3 -0.013857 -0.005752 -0.001284 -0.010590 -0.015078 0.003350 9C 1s 0.003164 -0.001628 -0.002154 0.000959 0.001666 0.002990 9C 2s 0.010194 -0.003755 -0.005058 0.001344 0.005840 0.009447 9C 3s -0.149244 0.020578 -0.033842 0.059396 -0.077167 -0.120110 9C 4s 0.913070 -0.228202 0.270363 -0.343947 0.487723 0.524388 9C 5s -3.939954 2.948771 1.503037 -0.668686 -2.420539 -0.612655 9C 1pz 0.036185 -0.029103 0.008380 0.032382 0.045833 0.066847 9C 1px -0.049741 0.074610 0.031555 -0.018897 0.105275 0.087237 9C 1py 0.060613 -0.031609 -0.017838 -0.072713 0.041183 0.003915 9C 2pz -0.106821 -0.045259 -0.028740 0.224355 0.036806 0.050778 9C 2px -0.199770 0.108368 0.098138 0.138938 0.357758 0.207106 9C 2py 0.156575 -0.215271 -0.283279 -0.124956 0.125711 -0.205197 9C 3pz 0.503347 -0.580299 -0.175069 0.307326 0.448659 0.142997 9C 3px 0.123122 0.078322 -0.113672 0.172667 0.477229 0.437399 9C 3py 0.637923 -0.445366 -0.429291 -0.192003 0.414478 -0.083286 9C 1dz2 -0.000446 -0.001117 0.003411 0.004062 0.001374 0.001866 9C 1dxz 0.002504 0.002018 0.000125 -0.000837 0.002458 0.002981 9C 1dyz 0.002805 -0.000986 0.001211 -0.002248 -0.000006 0.003003 9C 1dx2y2 -0.003350 0.001391 0.001250 0.002994 -0.001052 -0.001632 9C 1dxy 0.000816 0.001675 -0.001359 -0.001341 0.002652 -0.000289 9C 2dz2 -0.026549 0.249583 -0.026235 -0.183338 -0.189818 -0.004740 9C 2dxz -0.430944 0.120127 0.236098 0.225698 0.071198 0.151745 9C 2dyz -0.096133 0.014501 -0.043527 0.129353 -0.480587 -0.278390 9C 2dx2y2 0.168220 -0.258979 0.033465 0.040058 -0.348189 -0.217418 9C 2dxy 0.008743 -0.217535 -0.162473 -0.167134 -0.080159 -0.399212 9C 1f0 -0.011065 0.002804 -0.006085 -0.001956 0.013566 -0.001267 9C 1f+1 -0.000500 0.002725 0.006523 0.006727 0.008673 0.009869 9C 1f-1 0.002115 -0.005791 -0.002357 0.002825 0.005679 0.000320 9C 1f+2 0.011600 -0.005890 0.001192 -0.001979 -0.008810 -0.004222 9C 1f-2 0.004071 -0.004012 -0.010035 0.001466 -0.011643 -0.016549 9C 1f+3 0.017629 -0.011245 -0.004781 -0.007588 0.014495 -0.001719 9C 1f-3 -0.004915 0.005094 0.006014 -0.000650 0.017000 0.014488 10H 1s -0.014242 -0.019177 -0.004250 -0.008327 -0.008704 0.016342 10H 2s 0.489846 0.385058 0.079336 -0.080153 0.589980 -0.360226 10H 3s -0.439664 -0.158719 -0.119305 0.041893 0.239383 -0.161036 10H 1pz 0.015169 -0.011969 -0.002286 -0.015876 0.017246 -0.001601 10H 1px -0.056970 -0.040617 -0.010500 0.006327 -0.026947 0.020564 10H 1py 0.012942 -0.000072 0.006591 -0.003222 0.004194 -0.000060 11H 1s -0.015094 -0.005785 0.001566 -0.001726 0.010678 -0.011787 11H 2s -0.572590 -0.471201 -0.557858 0.280725 -0.390381 0.728563 11H 3s -0.624673 -0.342925 -0.064653 0.032848 0.382862 -0.253660 11H 1pz 0.011870 0.005810 -0.018903 0.003574 -0.013599 0.021023 11H 1px -0.023111 -0.016561 -0.027897 0.009682 -0.017976 0.031550 11H 1py 0.019627 0.022572 0.023772 -0.014606 0.020015 -0.037859 12H 1s -0.009114 -0.003636 -0.007287 0.006605 0.014989 0.004092 12H 2s 0.024070 0.045307 0.151944 -0.487622 -0.493387 -0.009139 12H 3s -0.586300 -0.486254 0.013271 -0.022632 0.306785 -0.101271 12H 1pz -0.003432 0.014342 -0.010718 0.029014 0.013875 -0.012814 12H 1px -0.002786 0.013268 0.001762 0.002217 -0.014166 -0.008983 12H 1py 0.021081 0.022037 0.017941 -0.016446 -0.040542 -0.003071 13H 1s 0.005437 -0.000872 -0.012615 0.019375 -0.002735 -0.011119 13H 2s -0.685535 0.114255 -0.081759 -0.283154 0.408469 -0.056511 13H 3s 0.120690 0.102906 0.099438 -0.036955 0.060186 -0.147589 13H 1pz -0.039593 0.001521 -0.005020 -0.011269 0.017034 -0.001168 13H 1px 0.045460 -0.006143 0.001429 0.012795 -0.013667 -0.000645 13H 1py -0.001282 -0.007779 0.025533 -0.009903 -0.003508 -0.002941 14H 1s 0.000240 0.005335 -0.003081 -0.002119 0.000783 -0.001820 14H 2s 0.164339 -0.176295 0.082253 0.462032 0.200978 -0.086449 14H 3s 0.163561 -0.005788 -0.127584 0.092182 0.143198 0.054914 14H 1pz 0.003221 -0.010465 0.007290 0.010050 0.005122 -0.008921 14H 1px -0.000597 -0.017966 0.022351 0.012308 0.007185 -0.007759 14H 1py 0.009159 -0.004752 -0.020566 0.029573 0.009793 0.009910 15H 1s 0.001983 -0.000543 -0.005802 0.002838 0.017729 -0.003959 15H 2s 0.359551 0.090153 -0.268485 0.054654 -0.966581 -0.010899 15H 3s 0.430710 0.198458 0.022912 -0.090642 0.379581 -0.035094 15H 1pz -0.021718 -0.007533 0.018369 -0.006688 0.054163 -0.002565 15H 1px 0.017475 0.001820 0.000565 -0.000995 -0.010738 0.003250 15H 1py -0.001072 -0.004923 -0.006241 0.007696 0.051942 -0.023503 16H 1s 0.004925 0.003979 -0.000050 0.007311 -0.004065 -0.005139 16H 2s -0.014871 -0.169142 -0.017179 0.064454 0.034837 0.034550 16H 3s -0.024704 -0.168977 -0.035842 0.126906 -0.022417 -0.006259 16H 1pz 0.005536 -0.007495 -0.020979 0.000564 0.016448 -0.001219 16H 1px 0.009036 0.048627 -0.009341 0.021402 -0.036261 0.037913 16H 1py -0.005534 -0.000089 0.033288 0.009806 -0.026581 0.021991 17H 1s -0.001836 -0.005610 -0.001480 -0.010636 0.005297 -0.002954 17H 2s -0.121206 0.019094 0.247271 0.032745 -0.213249 0.247929 17H 3s -0.085971 0.052712 0.076163 -0.084100 -0.121685 -0.109255 17H 1pz 0.003474 -0.032713 0.036371 0.026345 -0.011389 0.002937 17H 1px 0.000375 -0.010983 -0.051601 -0.032117 0.034246 -0.020854 17H 1py -0.014929 -0.021122 0.007773 -0.001135 -0.004844 0.014032 18H 1s 0.001756 -0.005695 -0.001893 0.011307 0.005542 0.003237 18H 2s 0.123160 0.019124 0.239982 -0.049625 -0.223925 -0.232270 18H 3s 0.084617 0.050987 0.057381 0.077837 -0.116023 0.120056 18H 1pz 0.002174 0.031980 -0.036475 0.026064 0.009965 0.001195 18H 1px 0.001400 0.011680 0.052267 -0.035249 -0.034442 -0.019573 18H 1py -0.015605 0.022303 -0.007986 -0.001037 0.006001 0.012928 19H 1s -0.005029 0.003780 -0.000823 -0.007526 -0.002877 0.005744 19H 2s 0.013726 -0.173110 -0.016479 -0.062643 0.033725 -0.032721 19H 3s 0.026043 -0.169933 -0.040607 -0.125159 -0.011226 0.009877 19H 1pz 0.006143 0.007762 0.020377 0.000140 -0.016849 -0.000619 19H 1px 0.009642 -0.048300 0.010661 0.024320 0.035521 0.036560 19H 1py -0.005685 -0.000620 -0.032075 0.010402 0.027940 0.021634 20H 1s -0.002617 -0.000298 -0.005976 -0.001802 0.017912 0.002462 20H 2s -0.359950 0.094541 -0.258176 -0.111553 -0.952618 0.069988 20H 3s -0.453887 0.197510 0.032813 0.112869 0.370882 0.020847 20H 1pz -0.021590 0.007978 -0.017538 -0.009985 -0.053166 0.000574 20H 1px 0.017790 -0.001529 -0.000985 -0.000633 0.011388 0.002876 20H 1py 0.000462 0.004720 0.006754 0.004752 -0.052788 -0.020068 21H 1s -0.000745 0.005536 -0.003260 0.002004 0.000747 0.001470 21H 2s -0.189207 -0.205498 0.068015 -0.442736 0.221999 0.082363 21H 3s -0.181673 -0.002369 -0.123304 -0.080078 0.145402 -0.056736 21H 1pz 0.003420 0.011642 -0.006805 0.009515 -0.005770 -0.009096 21H 1px -0.000028 0.019086 -0.021406 0.011404 -0.007748 -0.007758 21H 1py 0.010320 0.005955 0.020570 0.028718 -0.010845 0.010458 22H 1s -0.006364 -0.001041 -0.012788 -0.019406 -0.001024 0.011852 22H 2s 0.697759 0.134646 -0.105493 0.303027 0.396533 0.007320 22H 3s -0.132789 0.101939 0.093373 0.040342 0.065300 0.150480 22H 1pz -0.040117 -0.001968 0.006466 -0.011850 -0.016385 0.000826 22H 1px 0.047123 0.007248 -0.002670 0.013481 0.013276 -0.002700 22H 1py -0.001212 0.007636 -0.025623 -0.009496 0.003838 -0.003724 23H 1s 0.009371 -0.003778 -0.007468 -0.005206 0.015419 -0.004691 23H 2s -0.009312 0.015749 0.127853 0.451049 -0.526605 0.025425 23H 3s 0.606811 -0.477103 0.001826 0.041715 0.310652 0.094316 23H 1pz -0.002449 -0.014993 0.010328 0.027856 -0.016890 -0.011891 23H 1px -0.003645 -0.012012 -0.000328 0.003346 0.013136 -0.009231 23H 1py 0.020784 -0.020405 -0.016988 -0.013139 0.041682 -0.004578 24H 1s 0.015121 -0.006075 0.000988 0.002724 0.010965 0.011172 24H 2s 0.575215 -0.444471 -0.555178 -0.309899 -0.390519 -0.716836 24H 3s 0.631302 -0.337541 -0.084679 -0.001090 0.395771 0.233662 24H 1pz 0.012322 -0.006806 0.017632 0.005063 0.014167 0.020253 24H 1px -0.023083 0.014864 0.028077 0.011568 0.018359 0.031325 24H 1py 0.019486 -0.021688 -0.023332 -0.015758 -0.020059 -0.036963 25H 1s 0.014909 -0.019463 -0.004879 0.007755 -0.009551 -0.016132 25H 2s -0.509008 0.374190 0.098889 0.127239 0.590731 0.334941 25H 3s 0.445507 -0.162937 -0.132757 -0.020039 0.254108 0.146455 25H 1pz 0.016562 0.011277 0.001058 -0.016883 -0.015802 -0.001049 25H 1px -0.058598 0.039554 0.012530 0.008287 0.026523 0.019256 25H 1py 0.011822 0.001365 -0.006707 -0.003709 -0.003405 0.000363 26O 1s 0.000097 0.018436 0.004558 0.013061 -0.003505 0.005726 26O 2s -0.001568 0.040750 0.009317 0.029544 -0.009119 0.012595 26O 3s 0.040400 0.002682 0.014517 -0.006708 0.019747 0.016692 26O 4s -0.186082 -0.774383 -0.301124 -0.543738 0.046163 -0.355331 26O 5s 0.219536 2.969779 1.125151 2.079956 0.346035 -0.033906 26O 1pz -0.002723 0.022693 -0.007432 0.024211 0.043849 -0.067017 26O 1px -0.044479 -0.011009 -0.047598 -0.007109 0.012973 -0.046206 26O 1py -0.007832 0.014406 -0.010971 0.023538 0.017494 -0.054300 26O 2pz 0.055065 0.091667 0.009865 0.074526 0.109615 -0.201957 26O 2px -0.040923 -0.226694 -0.135871 -0.114167 0.025729 -0.018495 26O 2py 0.054156 -0.019312 -0.032311 0.058792 0.064796 -0.101311 26O 3pz -0.434480 -0.540798 -0.082829 -0.376909 -0.481938 1.260230 26O 3px 0.811509 -0.293036 -0.112634 -0.527668 -0.781646 0.868659 26O 3py -0.134884 -0.479768 0.156218 -0.462075 -0.813901 0.940993 26O 1dz2 -0.001100 0.002704 0.002197 0.003702 0.002285 -0.003250 26O 1dxz -0.003149 -0.006386 0.000376 0.000265 0.001938 0.001604 26O 1dyz 0.002969 -0.000409 -0.003283 -0.001277 0.001910 -0.001612 26O 1dx2y2 0.002584 -0.003868 -0.002039 -0.003573 -0.004426 0.003887 26O 1dxy 0.001388 -0.006404 -0.000566 -0.002653 -0.004986 0.002629 26O 2dz2 0.008994 -0.030051 -0.038607 -0.022158 -0.018415 0.023697 26O 2dxz -0.040863 -0.009408 0.004597 0.011865 0.000824 0.009750 26O 2dyz 0.009113 -0.001192 0.023648 -0.002161 -0.021198 0.021953 26O 2dx2y2 -0.024500 0.030166 0.003324 0.018904 -0.004051 -0.016759 26O 2dxy -0.041148 0.030756 -0.018187 0.024756 0.003747 -0.009364 26O 1f0 -0.000132 0.002477 -0.001194 -0.000119 -0.000967 -0.000562 26O 1f+1 -0.001861 0.003700 0.002197 0.001343 0.000052 -0.001738 26O 1f-1 -0.002758 0.002435 0.001156 0.000846 0.000586 -0.000311 26O 1f+2 0.001986 -0.002237 -0.000349 -0.001911 0.001093 0.000298 26O 1f-2 -0.001904 -0.000815 0.000282 0.001181 0.000960 0.000057 26O 1f+3 -0.001645 0.000282 0.001138 0.002318 -0.000660 -0.000358 26O 1f-3 -0.001987 0.003478 0.000839 0.003814 -0.000218 -0.000639 27O 1s 0.001602 -0.005283 0.023271 -0.002246 -0.004407 0.004880 27O 2s 0.004534 -0.012098 0.050213 -0.005435 -0.010736 0.009897 27O 3s -0.023804 0.006031 0.028812 0.015980 0.010190 0.017394 27O 4s 0.036629 0.178924 -1.077581 0.043262 0.110669 -0.354061 27O 5s -0.052586 -0.448094 3.700286 -1.377823 0.199374 1.809491 27O 1pz 0.011878 -0.002521 0.023218 -0.039168 0.008106 -0.000917 27O 1px 0.026547 0.027636 0.005204 -0.055726 -0.016598 -0.027620 27O 1py 0.006366 -0.019806 -0.021030 0.074362 -0.027715 -0.010469 27O 2pz -0.005793 -0.003697 0.084545 -0.160166 0.031239 0.013928 27O 2px -0.009305 0.092213 -0.214832 0.003123 -0.044177 -0.113598 27O 2py 0.100278 -0.028282 -0.014040 0.158157 -0.095139 -0.003807 27O 3pz 0.227946 -0.193112 -0.082412 0.726009 0.017424 -0.268809 27O 3px -0.470682 -0.321590 -0.368069 1.286244 -0.572829 -0.560126 27O 3py -0.565087 0.027413 0.131923 -1.009477 0.667624 -0.078068 27O 1dz2 0.002195 0.002513 0.003685 -0.004991 0.001985 0.005678 27O 1dxz 0.003620 -0.001131 0.000216 0.000122 0.002241 -0.001852 27O 1dyz 0.002595 -0.000554 -0.002540 0.001710 0.001597 0.000140 27O 1dx2y2 -0.000279 -0.000151 -0.004465 0.005997 -0.004356 -0.002460 27O 1dxy -0.001325 -0.001198 0.003817 -0.003027 0.001202 0.000348 27O 2dz2 -0.017766 -0.010608 -0.006049 -0.007617 0.030496 0.005216 27O 2dxz 0.010721 0.013761 -0.000426 0.000734 -0.001288 0.002373 27O 2dyz 0.010276 0.013990 0.002481 -0.005658 0.016225 0.000712 27O 2dx2y2 0.039308 -0.008139 0.050992 -0.061429 0.030386 0.025701 27O 2dxy -0.025331 0.018364 -0.010399 0.006764 -0.008815 -0.015817 27O 1f0 -0.001869 0.000656 0.000736 -0.000141 -0.000876 0.001094 27O 1f+1 0.001312 -0.000410 0.002805 -0.002817 -0.000089 -0.000370 27O 1f-1 0.000238 0.000936 -0.000547 0.001060 -0.000478 0.000074 27O 1f+2 0.000633 -0.000419 -0.000731 -0.000078 -0.000066 0.000002 27O 1f-2 -0.001867 0.000918 -0.001343 0.000866 -0.001064 0.000944 27O 1f+3 0.003466 -0.001296 0.003534 -0.002646 0.002420 0.002976 27O 1f-3 -0.001209 0.000966 -0.004097 0.001078 0.000197 -0.000128 28O 1s -0.010363 -0.023643 -0.002150 -0.004367 0.005980 0.014949 28O 2s -0.022607 -0.052060 -0.005031 -0.009639 0.010971 0.034422 28O 3s -0.006896 -0.015605 0.001959 -0.004673 0.042602 -0.002745 28O 4s 0.546984 1.038896 0.081531 0.188928 -0.440586 -0.550832 28O 5s -3.129782 -3.289585 -0.435702 -0.594826 1.463436 -0.107813 28O 1pz -0.056576 -0.034755 0.000364 -0.039090 -0.020027 -0.049927 28O 1px -0.033519 -0.008291 0.007161 -0.004352 0.025194 -0.014738 28O 1py -0.032357 -0.038155 -0.009824 0.013628 -0.011269 -0.020810 28O 2pz -0.111274 0.015701 -0.021200 -0.060907 -0.068601 -0.042880 28O 2px -0.208722 -0.183027 0.000068 -0.031835 0.097431 -0.055286 28O 2py -0.098021 -0.088205 -0.025317 -0.023534 -0.027676 -0.028985 28O 3pz 1.945109 0.476889 0.357893 0.137669 0.188705 1.121489 28O 3px -0.439073 -0.163595 0.117776 0.007477 -0.135262 -0.743589 28O 3py 0.513974 0.218390 -0.110741 0.420288 0.297598 0.443598 28O 1dz2 0.003241 0.003662 0.000853 0.002870 0.000066 0.001504 28O 1dxz -0.010638 -0.006527 -0.003611 0.000306 0.001495 -0.003990 28O 1dyz -0.002763 -0.001642 -0.001559 0.000156 0.000389 0.002066 28O 1dx2y2 0.003814 0.003027 -0.003170 0.002439 -0.000208 0.002934 28O 1dxy 0.001297 -0.000365 0.001517 -0.004049 -0.000624 -0.002083 28O 2dz2 -0.017745 -0.004654 -0.000658 0.036404 -0.015512 0.004664 28O 2dxz 0.027894 0.029151 0.004536 0.008350 -0.003826 0.047762 28O 2dyz -0.012937 0.000559 -0.025983 0.003646 0.008422 0.017336 28O 2dx2y2 -0.038504 -0.025025 0.016573 0.025507 -0.021428 -0.008330 28O 2dxy 0.007198 0.019606 -0.031760 -0.004247 0.010058 0.018164 28O 1f0 -0.001354 -0.001234 0.001369 0.000083 0.000221 -0.000887 28O 1f+1 -0.001826 -0.003717 -0.000019 0.000170 0.000867 -0.000660 28O 1f-1 0.002453 -0.000394 0.000509 0.000641 0.000699 0.000878 28O 1f+2 0.002061 0.002148 -0.000644 -0.000177 -0.000804 0.001843 28O 1f-2 0.001921 -0.000004 0.000580 -0.001895 0.000966 -0.000214 28O 1f+3 0.002594 0.000629 -0.001181 -0.002103 0.001322 0.000696 28O 1f-3 0.000761 -0.001181 0.000946 -0.000833 0.001393 -0.001158 29O 1s -0.000216 0.001473 -0.002334 -0.000791 0.003713 -0.007788 29O 2s -0.001128 0.003537 -0.005652 -0.001958 0.007852 -0.015899 29O 3s 0.010219 -0.001630 0.006254 0.003840 0.007229 -0.027851 29O 4s -0.050862 -0.069066 0.094180 0.021180 -0.185921 0.480138 29O 5s 0.174271 0.198336 -0.312393 -0.080371 0.381722 -1.104898 29O 1pz -0.004342 0.008310 0.003505 -0.011316 -0.001080 -0.009832 29O 1px -0.016180 0.008627 -0.008088 -0.010539 0.007855 -0.018125 29O 1py -0.018239 -0.001193 0.000692 0.009410 0.012082 -0.007951 29O 2pz -0.003730 0.038496 0.030226 -0.018965 -0.034298 0.032557 29O 2px -0.008372 0.006940 -0.001417 -0.020263 0.039342 -0.097053 29O 2py -0.006225 0.044270 -0.041967 -0.003304 0.014647 0.033438 29O 3pz 0.046705 -0.303655 -0.320522 0.068681 0.362748 -0.381834 29O 3px 0.091476 -0.057880 -0.114350 0.016509 0.073198 0.305898 29O 3py -0.140729 -0.216760 0.285331 0.128745 -0.144867 -0.011576 29O 1dz2 0.000584 -0.002313 0.001102 0.001730 -0.001164 0.001277 29O 1dxz -0.001520 -0.000115 0.001535 -0.001257 -0.000219 -0.001486 29O 1dyz 0.001447 -0.001627 -0.002918 0.000142 0.002508 -0.001919 29O 1dx2y2 -0.000361 0.000220 -0.000031 -0.001272 0.001011 0.000869 29O 1dxy -0.000679 -0.001084 -0.001342 0.001510 0.001643 -0.002201 29O 2dz2 -0.005510 0.014417 0.049305 0.019344 -0.037025 0.020319 29O 2dxz 0.000561 -0.071942 -0.023368 -0.011032 0.062181 -0.051508 29O 2dyz 0.002212 0.007977 -0.039171 -0.021594 0.015889 0.002708 29O 2dx2y2 -0.011375 -0.003074 -0.034076 -0.004824 -0.005418 0.024109 29O 2dxy -0.027452 -0.048226 0.065414 0.020527 -0.005544 -0.016462 29O 1f0 -0.000456 -0.000167 0.000350 0.000383 -0.000493 0.001779 29O 1f+1 0.000230 -0.001760 -0.001440 -0.000703 0.001667 -0.001809 29O 1f-1 -0.000884 -0.001406 0.000815 0.000340 0.000594 -0.000011 29O 1f+2 -0.000051 0.001646 0.000967 0.000258 -0.001180 -0.000527 29O 1f-2 -0.000782 0.000903 0.001478 0.000846 -0.000999 0.000632 29O 1f+3 0.000370 -0.000242 -0.001777 -0.000527 0.000657 -0.000693 29O 1f-3 0.000005 -0.000593 0.000456 -0.000375 0.000003 0.000547 30O 1s 0.004469 0.006134 -0.018866 0.017198 0.004121 -0.000092 30O 2s 0.011596 0.013082 -0.042349 0.038509 0.007371 0.000378 30O 3s -0.030411 0.011994 0.004011 0.007702 0.028880 -0.009183 30O 4s -0.092383 -0.321805 0.732080 -0.752218 -0.325052 0.080490 30O 5s 1.121739 1.172380 -2.176342 1.826191 1.319476 -0.747267 30O 1pz 0.047345 -0.004484 -0.016479 -0.030031 -0.021971 -0.018983 30O 1px 0.026977 0.006781 -0.011557 0.005510 0.035253 -0.020229 30O 1py -0.040527 0.022040 0.000539 0.004791 0.009280 -0.001221 30O 2pz 0.133801 -0.021241 0.031202 -0.044179 -0.075901 0.003372 30O 2px 0.142942 0.051068 -0.172821 0.076757 0.139737 -0.056917 30O 2py -0.124886 0.047600 -0.048552 0.010775 0.046244 -0.006563 30O 3pz -1.230676 0.044131 -0.016651 0.164069 -0.167545 -0.077953 30O 3px -0.124804 0.162912 0.216508 -0.043817 -0.057110 -0.212884 30O 3py 1.002058 0.074420 -0.065431 -0.110744 -0.190717 -0.388747 30O 1dz2 -0.002194 0.000133 -0.001327 0.002619 -0.000017 0.002064 30O 1dxz 0.005525 -0.000197 -0.001428 0.001894 0.004937 0.001834 30O 1dyz 0.000830 0.002139 -0.002503 0.000091 0.002576 -0.003063 30O 1dx2y2 -0.002743 -0.001353 -0.002979 0.000494 -0.000072 0.001679 30O 1dxy -0.002410 -0.002660 0.004824 -0.001940 0.001311 0.003227 30O 2dz2 -0.010635 -0.000281 0.003174 0.007165 0.001003 0.020569 30O 2dxz -0.014549 0.028562 0.025310 0.001688 -0.015902 0.023616 30O 2dyz -0.034859 -0.021031 0.008634 -0.006626 0.009880 -0.014520 30O 2dx2y2 0.003078 0.012118 -0.010338 0.004372 -0.001073 0.017688 30O 2dxy 0.022416 0.006554 -0.016841 -0.003017 0.014845 -0.009967 30O 1f0 0.003205 -0.000922 -0.000143 -0.000786 -0.000851 -0.002000 30O 1f+1 0.000441 0.000278 -0.000621 -0.000203 0.001431 0.000645 30O 1f-1 0.000169 -0.000382 0.000171 -0.000488 0.000595 0.001106 30O 1f+2 -0.001493 0.000322 0.000208 -0.000342 -0.002092 0.000710 30O 1f-2 -0.000606 -0.000522 0.002716 -0.001257 -0.002019 -0.000140 30O 1f+3 -0.002123 0.000010 -0.003822 0.001178 0.001441 -0.001342 30O 1f-3 -0.002093 -0.000044 0.002601 -0.000093 -0.002020 -0.000282 31O 1s -0.005313 0.006064 -0.018702 -0.016874 0.005430 -0.000196 31O 2s -0.013467 0.012889 -0.041929 -0.037902 0.010257 -0.000933 31O 3s 0.030199 0.012499 0.002902 -0.005847 0.030253 0.007936 31O 4s 0.129473 -0.322263 0.729216 0.728382 -0.389391 -0.061391 31O 5s -1.264342 1.184678 -2.154114 -1.726026 1.511852 0.658454 31O 1pz 0.047066 0.005249 0.015475 -0.028664 0.023790 -0.021098 31O 1px 0.028377 -0.007610 0.010773 0.003079 -0.036774 -0.018139 31O 1py -0.041731 -0.023476 -0.000264 0.003913 -0.010676 0.000631 31O 2pz 0.130335 0.024907 -0.034300 -0.039578 0.081482 -0.003513 31O 2px 0.153515 -0.051891 0.169081 0.066793 -0.147386 -0.046698 31O 2py -0.126541 -0.050622 0.049636 0.007226 -0.050740 -0.001398 31O 3pz -1.251604 -0.068959 0.041687 0.184011 0.146133 -0.068689 31O 3px -0.119189 -0.172476 -0.216262 -0.041253 0.034343 -0.227111 31O 3py 1.038260 -0.078331 0.048213 -0.098504 0.189185 -0.406059 31O 1dz2 0.002211 0.000369 -0.001195 -0.002610 0.000077 -0.002007 31O 1dxz -0.005772 -0.000413 -0.001342 -0.001502 0.004968 -0.001996 31O 1dyz -0.001083 0.002180 -0.002540 0.000088 0.002842 0.002835 31O 1dx2y2 0.002743 -0.001283 -0.003097 -0.000477 -0.000133 -0.001812 31O 1dxy 0.002704 -0.002779 0.004799 0.002003 0.001015 -0.003274 31O 2dz2 0.011414 -0.000448 0.003561 -0.007536 0.000516 -0.020256 31O 2dxz 0.015569 0.027406 0.024918 -0.003168 -0.017123 -0.023247 31O 2dyz 0.035868 -0.020187 0.007430 0.006927 0.009970 0.015170 31O 2dx2y2 -0.002874 0.011296 -0.010655 -0.004686 -0.001973 -0.017948 31O 2dxy -0.023433 0.006504 -0.016003 0.003497 0.015366 0.009646 31O 1f0 0.003242 0.000911 0.000046 -0.000730 0.000814 -0.002087 31O 1f+1 0.000481 -0.000196 0.000630 -0.000279 -0.001392 0.000748 31O 1f-1 0.000156 0.000418 -0.000129 -0.000545 -0.000510 0.001114 31O 1f+2 -0.001527 -0.000355 -0.000110 -0.000186 0.002151 0.000576 31O 1f-2 -0.000734 0.000523 -0.002706 -0.001138 0.002114 -0.000333 31O 1f+3 -0.002040 -0.000094 0.003909 0.001087 -0.001602 -0.001170 31O 1f-3 -0.002203 0.000116 -0.002447 0.000032 0.002005 -0.000429 32O 1s 0.000161 0.001578 -0.002396 0.001066 0.004221 0.007495 32O 2s 0.000994 0.003744 -0.005819 0.002561 0.008885 0.015233 32O 3s -0.010112 -0.001061 0.006872 -0.003762 0.009075 0.027856 32O 4s 0.052521 -0.076103 0.093832 -0.033258 -0.217375 -0.467241 32O 5s -0.176187 0.211743 -0.312836 0.107200 0.455158 1.076080 32O 1pz -0.004286 -0.008746 -0.003182 -0.011114 0.001464 -0.010331 32O 1px -0.015838 -0.008987 0.009138 -0.011395 -0.008106 -0.016796 32O 1py -0.018586 0.000215 -0.000925 0.008220 -0.012803 -0.007470 32O 2pz -0.004006 -0.037666 -0.030842 -0.016119 0.037431 0.029648 32O 2px -0.008045 -0.007905 0.004040 -0.023937 -0.045556 -0.095958 32O 2py -0.005190 -0.045158 0.039624 -0.003792 -0.011050 0.036074 32O 3pz 0.053719 0.301213 0.321885 0.037099 -0.388691 -0.363108 32O 3px 0.091385 0.059225 0.094422 0.012565 -0.043208 0.317046 32O 3py -0.140963 0.224231 -0.268387 0.138952 0.126987 -0.035908 32O 1dz2 -0.000501 -0.002281 0.001248 -0.001800 -0.001265 -0.001258 32O 1dxz 0.001567 -0.000010 0.001518 0.001295 -0.000276 0.001509 32O 1dyz -0.001454 -0.001782 -0.002785 -0.000008 0.002582 0.001764 32O 1dx2y2 0.000390 0.000260 0.000023 0.001354 0.000785 -0.000973 32O 1dxy 0.000713 -0.001066 -0.001231 -0.001337 0.001801 0.002127 32O 2dz2 0.006601 0.014043 0.048905 -0.020912 -0.036528 -0.017104 32O 2dxz -0.000798 -0.070981 -0.023711 0.016831 0.064461 0.049717 32O 2dyz -0.002911 0.007200 -0.037990 0.021366 0.013715 -0.004757 32O 2dx2y2 0.010737 -0.003115 -0.034011 0.005143 -0.008053 -0.025818 32O 2dxy 0.029454 -0.048370 0.064774 -0.019773 -0.003730 0.017936 32O 1f0 -0.000412 0.000112 -0.000346 0.000381 0.000639 0.001762 32O 1f+1 0.000287 0.001775 0.001468 -0.000836 -0.001786 -0.001801 32O 1f-1 -0.000924 0.001308 -0.000970 0.000344 -0.000484 0.000088 32O 1f+2 -0.000007 -0.001702 -0.000860 0.000303 0.001110 -0.000585 32O 1f-2 -0.000797 -0.000926 -0.001470 0.000931 0.001044 0.000572 32O 1f+3 0.000379 0.000225 0.001740 -0.000598 -0.000673 -0.000645 32O 1f-3 -0.000040 0.000636 -0.000409 -0.000421 0.000016 0.000593 33O 1s 0.010851 -0.023533 -0.002274 0.004929 0.004878 -0.015065 33O 2s 0.023689 -0.051787 -0.005262 0.010725 0.008470 -0.034581 33O 3s 0.006979 -0.016348 0.001397 0.007756 0.042329 0.000893 33O 4s -0.568923 1.035077 0.092517 -0.226586 -0.398865 0.563577 33O 5s 3.221405 -3.237202 -0.532583 0.714984 1.444849 0.064139 33O 1pz -0.056871 0.032587 0.000951 -0.036456 0.020207 -0.050391 33O 1px -0.034582 0.008440 -0.005589 -0.006731 -0.025890 -0.014077 33O 1py -0.033788 0.036596 0.010044 0.014978 0.008657 -0.021520 33O 2pz -0.110728 -0.017027 0.023188 -0.053373 0.070937 -0.042523 33O 2px -0.215555 0.180396 0.008081 -0.040548 -0.099037 -0.053494 33O 2py -0.102137 0.084302 0.026493 -0.020229 0.026127 -0.030470 33O 3pz 1.971890 -0.435139 -0.422631 0.103983 -0.129531 1.102498 33O 3px -0.454826 0.139931 -0.095563 0.023874 0.089772 -0.749077 33O 3py 0.540635 -0.209036 0.092543 0.393434 -0.294131 0.461755 33O 1dz2 -0.003306 0.003440 0.000897 -0.002821 0.000201 -0.001515 33O 1dxz 0.010857 -0.006276 -0.003952 -0.000270 0.001806 0.003793 33O 1dyz 0.002662 -0.001528 -0.001597 -0.000206 0.000287 -0.002120 33O 1dx2y2 -0.004034 0.002897 -0.002952 -0.002417 -0.000187 -0.002983 33O 1dxy -0.001161 -0.000558 0.001484 0.004049 -0.000773 0.002155 33O 2dz2 0.017944 -0.004885 -0.001457 -0.036757 -0.012615 -0.003550 33O 2dxz -0.028734 0.027002 0.005211 -0.008122 -0.005569 -0.047826 33O 2dyz 0.013201 0.001368 -0.025643 -0.002683 0.007598 -0.017657 33O 2dx2y2 0.039143 -0.024486 0.015157 -0.026630 -0.018693 0.009934 33O 2dxy -0.007979 0.018516 -0.031829 0.005385 0.008827 -0.019363 33O 1f0 -0.001437 0.001153 -0.001322 0.000067 -0.000251 -0.000961 33O 1f+1 -0.001881 0.003620 0.000050 0.000117 -0.000914 -0.000673 33O 1f-1 0.002437 0.000393 -0.000593 0.000579 -0.000667 0.000892 33O 1f+2 0.002118 -0.002009 0.000591 -0.000116 0.000896 0.001884 33O 1f-2 0.001883 0.000096 -0.000624 -0.001953 -0.000816 -0.000174 33O 1f+3 0.002653 -0.000538 0.001102 -0.002181 -0.001084 0.000815 33O 1f-3 0.000728 0.001207 -0.000979 -0.000956 -0.001382 -0.001135 34O 1s -0.000878 -0.005064 0.023742 0.001904 -0.004571 -0.004199 34O 2s -0.002945 -0.011608 0.051291 0.004630 -0.011077 -0.008390 34O 3s 0.024226 0.005871 0.027970 -0.015629 0.010568 -0.016605 34O 4s -0.068767 0.170995 -1.095719 -0.031139 0.121490 0.323234 34O 5s 0.168598 -0.406362 3.792002 1.368873 0.031351 -1.765295 34O 1pz 0.010802 0.002352 -0.024548 -0.039265 -0.005115 0.000028 34O 1px 0.027422 -0.027426 -0.004790 -0.055309 0.019133 -0.026936 34O 1py 0.006274 0.020288 0.021291 0.076192 0.021818 -0.013150 34O 2pz -0.010791 0.001135 -0.088032 -0.160836 -0.019910 0.017808 34O 2px -0.001107 -0.089292 0.221799 0.004228 0.038149 -0.111126 34O 2py 0.100733 0.030348 0.013079 0.164119 0.084716 -0.013256 34O 3pz 0.250665 0.208313 0.090751 0.716359 -0.076524 -0.292379 34O 3px -0.455199 0.342852 0.415500 1.316260 0.448395 -0.620616 34O 3py -0.576179 -0.045192 -0.132157 -1.057099 -0.604942 -0.008819 34O 1dz2 -0.002069 0.002546 0.003866 0.004990 0.001359 -0.005887 34O 1dxz -0.003769 -0.001224 0.000292 0.000034 0.002359 0.001812 34O 1dyz -0.002632 -0.000523 -0.002393 -0.001644 0.001666 -0.000181 34O 1dx2y2 0.000038 -0.000393 -0.004736 -0.006251 -0.003824 0.002744 34O 1dxy 0.001448 -0.001258 0.003731 0.003135 0.000975 -0.000497 34O 2dz2 0.017360 -0.010889 -0.007801 0.009940 0.030007 -0.006412 34O 2dxz -0.011289 0.013169 -0.000611 -0.001011 -0.001348 -0.002376 34O 2dyz -0.011189 0.014451 0.003196 0.006609 0.015049 -0.002188 34O 2dx2y2 -0.038025 -0.007801 0.053776 0.063423 0.024044 -0.027633 34O 2dxy 0.024867 0.018317 -0.012062 -0.007305 -0.007183 0.016010 34O 1f0 -0.001901 -0.000670 -0.000677 -0.000105 0.000925 0.001038 34O 1f+1 0.001183 0.000309 -0.002993 -0.002820 0.000301 -0.000372 34O 1f-1 0.000288 -0.000913 0.000545 0.001117 0.000401 0.000057 34O 1f+2 0.000667 0.000431 0.000666 -0.000083 0.000060 -0.000019 34O 1f-2 -0.001849 -0.000900 0.001420 0.000929 0.001034 0.000896 34O 1f+3 0.003350 0.001276 -0.003815 -0.002765 -0.002035 0.003113 34O 1f-3 -0.001156 -0.001005 0.004148 0.001090 -0.000320 -0.000117 35O 1s -0.000422 0.018448 0.004534 -0.013403 -0.002888 -0.005612 35O 2s 0.000825 0.040829 0.009197 -0.030370 -0.007647 -0.012275 35O 3s -0.040076 0.001463 0.015948 0.007640 0.017426 -0.017800 35O 4s 0.198432 -0.770571 -0.308438 0.552899 0.032979 0.355411 35O 5s -0.272723 2.987357 1.152453 -2.077104 0.448573 0.018862 35O 1pz -0.001757 -0.023422 0.007763 0.020610 -0.048034 -0.066134 35O 1px -0.044339 0.010460 0.048472 -0.009043 -0.015317 -0.045789 35O 1py -0.008131 -0.016501 0.010609 0.020867 -0.022331 -0.054178 35O 2pz 0.059319 -0.093578 -0.009764 0.065799 -0.122573 -0.199419 35O 2px -0.043446 0.228012 0.137625 -0.119167 -0.020580 -0.016997 35O 2py 0.053857 0.015621 0.029307 0.050717 -0.074791 -0.099084 35O 3pz -0.464126 0.549436 0.085246 -0.333204 0.560609 1.252793 35O 3px 0.793328 0.315533 0.103080 -0.458020 0.846613 0.843829 35O 3py -0.153508 0.517375 -0.135357 -0.394230 0.879828 0.904555 35O 1dz2 0.001030 0.002876 0.002275 -0.003528 0.002684 0.003239 35O 1dxz 0.003352 -0.006190 0.000406 -0.000151 0.001887 -0.001670 35O 1dyz -0.003012 -0.000432 -0.003196 0.001407 0.001855 0.001461 35O 1dx2y2 -0.002403 -0.003806 -0.001953 0.003146 -0.004789 -0.003690 35O 1dxy -0.001245 -0.006634 -0.000670 0.002321 -0.005147 -0.002358 35O 2dz2 -0.009751 -0.030124 -0.038751 0.020095 -0.020313 -0.023933 35O 2dxz 0.041415 -0.008586 0.003307 -0.011574 0.001452 -0.009150 35O 2dyz -0.009017 -0.001055 0.024864 0.000189 -0.022874 -0.021283 35O 2dx2y2 0.023727 0.032022 0.002700 -0.019417 -0.001649 0.017234 35O 2dxy 0.039721 0.031961 -0.019274 -0.024510 0.006051 0.009014 35O 1f0 -0.000059 -0.002411 0.001276 -0.000048 0.000897 -0.000573 35O 1f+1 -0.001824 -0.003772 -0.002114 0.001342 -0.000211 -0.001816 35O 1f-1 -0.002747 -0.002449 -0.001060 0.000830 -0.000678 -0.000266 35O 1f+2 0.001994 0.002216 0.000253 -0.001990 -0.000895 0.000349 35O 1f-2 -0.001920 0.000738 -0.000259 0.001113 -0.001053 0.000097 35O 1f+3 -0.001600 -0.000318 -0.001077 0.002324 0.000455 -0.000446 35O 1f-3 -0.001948 -0.003631 -0.000837 0.003866 -0.000066 -0.000719 258 259 260 261 262 263 0.91507 0.91599 0.93560 0.94353 0.94399 0.95177 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s 0.000576 -0.000014 -0.001208 0.000885 0.002048 0.000437 0Rh 2s -0.000968 0.000987 0.004600 -0.001594 -0.007078 -0.001231 0Rh 3s 0.002768 0.000528 -0.004217 0.004188 0.007604 0.001796 0Rh 4s 0.003861 -0.004972 -0.021031 0.006650 0.032165 0.005476 0Rh 5s 0.008565 0.013367 0.016498 0.009380 -0.019879 -0.000679 0Rh 6s -0.059345 -0.030285 0.056731 -0.073867 -0.105634 -0.029623 0Rh 7s 0.271489 0.148595 -0.814782 0.013427 1.247855 0.146099 0Rh 8s 0.049217 0.383429 0.296582 0.397830 -0.612270 0.020525 0Rh 1pz 0.004812 0.001055 0.002530 -0.007403 0.006079 0.002610 0Rh 1px -0.009227 -0.005306 -0.010250 -0.026335 -0.000302 -0.003827 0Rh 1py 0.014588 0.013380 0.009259 -0.006642 -0.005565 0.010317 0Rh 2pz -0.016249 -0.003851 -0.008613 0.025069 -0.020523 -0.008749 0Rh 2px 0.030875 0.018156 0.035158 0.089077 0.000200 0.012784 0Rh 2py -0.049554 -0.045517 -0.031517 0.022456 0.018754 -0.034774 0Rh 3pz 0.005256 0.007195 0.004467 -0.008321 0.006023 0.001377 0Rh 3px -0.004768 -0.010903 -0.023069 -0.032665 0.016923 -0.001316 0Rh 3py 0.021714 0.021228 0.014706 -0.007704 -0.005011 0.009163 0Rh 4pz 0.064301 -0.009025 0.024931 -0.106571 0.086469 0.040363 0Rh 4px -0.139131 -0.050848 -0.087078 -0.327291 -0.070896 -0.061029 0Rh 4py 0.176315 0.157610 0.110287 -0.087485 -0.080231 0.149284 0Rh 5pz -0.084504 0.040661 -0.002293 0.208505 -0.134189 -0.044787 0Rh 5px 0.167620 0.044161 0.028907 0.317376 0.165728 0.081576 0Rh 5py -0.243248 -0.226323 -0.155883 0.123577 0.123509 -0.220369 0Rh 6pz 0.163756 -1.251684 -0.555425 -2.579674 0.838205 -0.458390 0Rh 6px -0.263258 -0.184577 1.723950 1.309565 -2.030173 -0.360865 0Rh 6py 2.310450 2.143610 0.778917 -1.183279 -0.828037 1.400588 0Rh 1dz2 0.014270 0.019629 -0.033734 0.015972 -0.011998 -0.013446 0Rh 1dxz -0.006581 0.003237 -0.016063 0.010657 -0.014655 -0.007679 0Rh 1dyz 0.023590 -0.006581 0.014332 -0.003756 0.008107 -0.050087 0Rh 1dx2y2 0.008417 0.023504 -0.017248 0.003773 -0.020118 -0.008318 0Rh 1dxy 0.017233 -0.010481 -0.005823 -0.007002 -0.015394 -0.015831 0Rh 2dz2 -0.002500 -0.003986 0.008674 -0.003414 0.003451 0.002657 0Rh 2dxz 0.002035 -0.000727 0.003673 -0.000365 0.002166 0.001814 0Rh 2dyz -0.002936 0.002278 -0.000174 -0.000914 -0.000620 0.010636 0Rh 2dx2y2 -0.001180 -0.004049 0.002851 -0.003487 0.004204 0.001705 0Rh 2dxy -0.002640 0.001956 0.001179 -0.000544 0.003908 0.003798 0Rh 3dz2 -0.018854 -0.023720 0.032995 -0.018590 0.010423 0.016538 0Rh 3dxz 0.005024 -0.003704 0.017620 -0.020509 0.021403 0.008315 0Rh 3dyz -0.036335 0.003900 -0.029295 0.011990 -0.014411 0.058681 0Rh 3dx2y2 -0.012456 -0.031336 0.023892 0.006868 0.023688 0.010021 0Rh 3dxy -0.024413 0.013275 0.006925 0.016852 0.015297 0.016809 0Rh 4dz2 -0.045794 -0.073384 0.155687 -0.063916 0.057891 0.048110 0Rh 4dxz 0.032094 -0.012228 0.068524 -0.014495 0.041322 0.030921 0Rh 4dyz -0.054912 0.039895 -0.007990 -0.015817 -0.012097 0.190037 0Rh 4dx2y2 -0.021100 -0.076920 0.053087 -0.052684 0.081959 0.031179 0Rh 4dxy -0.048721 0.036863 0.024403 -0.003590 0.069954 0.064788 0Rh 5dz2 0.031119 0.188305 -0.458240 0.210242 -0.177964 -0.056312 0Rh 5dxz -0.054904 0.039812 -0.183804 0.003022 -0.056996 -0.056612 0Rh 5dyz -0.120575 -0.119135 -0.178153 0.219851 -0.069215 -0.309140 0Rh 5dx2y2 -0.031051 0.111335 -0.103165 0.184055 -0.222349 -0.060993 0Rh 5dxy -0.020562 -0.082665 -0.099205 0.119149 -0.196006 -0.110201 0Rh 1f0 0.006815 -0.010673 -0.011881 0.001917 0.017583 0.000403 0Rh 1f+1 0.000349 -0.003878 -0.004655 0.006498 -0.016195 0.002868 0Rh 1f-1 -0.011626 -0.009643 -0.001965 0.016089 -0.009559 -0.010373 0Rh 1f+2 -0.004341 -0.007346 0.005961 -0.018586 -0.004882 -0.003429 0Rh 1f-2 -0.010512 -0.022889 -0.013458 -0.000459 -0.005921 -0.006284 0Rh 1f+3 -0.002518 0.009008 0.020277 0.000896 -0.027052 0.002315 0Rh 1f-3 -0.010163 -0.007516 0.000665 -0.000739 -0.002053 -0.006118 1Rh 1s 0.000586 0.000048 0.001306 0.002201 -0.000103 0.000423 1Rh 2s -0.000985 -0.001019 -0.004842 -0.006902 0.001692 -0.001219 1Rh 3s 0.002812 -0.000349 0.004645 0.008606 0.000443 0.001721 1Rh 4s 0.003926 0.005071 0.022082 0.031070 -0.008229 0.005442 1Rh 5s 0.008721 -0.012516 -0.016159 -0.012630 0.017388 -0.001068 1Rh 6s -0.060533 0.026053 -0.064259 -0.127657 -0.020392 -0.027614 1Rh 7s 0.278516 -0.126581 0.854406 1.116714 -0.538645 0.125285 1Rh 8s 0.072645 -0.387337 -0.292360 -0.368457 0.629368 0.004460 1Rh 1pz -0.004235 0.000964 0.002546 -0.002903 0.009219 -0.002197 1Rh 1px 0.009352 -0.004726 -0.009088 0.012062 0.023920 0.004069 1Rh 1py -0.014435 0.013181 0.009495 0.007232 0.003405 -0.010698 1Rh 2pz 0.014292 -0.003548 -0.008673 0.009778 -0.031190 0.007344 1Rh 2px -0.031303 0.016209 0.031253 -0.040079 -0.081275 -0.013602 1Rh 2py 0.049033 -0.044842 -0.032316 -0.024385 -0.011526 0.036069 1Rh 3pz -0.004447 0.007148 0.004540 -0.002720 0.009958 -0.000742 1Rh 3px 0.005029 -0.010444 -0.022149 -0.000228 0.037399 0.001607 1Rh 3py -0.021435 0.020944 0.014997 0.006894 0.004341 -0.009769 1Rh 4pz -0.057135 -0.010374 0.025244 -0.039482 0.132605 -0.035339 1Rh 4px 0.140368 -0.042716 -0.070674 0.208850 0.267360 0.064128 1Rh 4py -0.174689 0.155109 0.113288 0.102027 0.042637 -0.153763 1Rh 5pz 0.074087 0.042347 -0.005425 0.040008 -0.245537 0.037586 1Rh 5px -0.169233 0.035215 0.010248 -0.287670 -0.216513 -0.085187 1Rh 5py 0.241669 -0.222606 -0.159707 -0.153397 -0.056089 0.226085 1Rh 6pz -0.062365 -1.260488 -0.468966 0.349041 2.717188 0.491909 1Rh 6px 0.287619 -0.195971 1.723452 1.204113 -2.087021 0.356391 1Rh 6py -2.319825 2.111697 0.804720 1.188791 0.712484 -1.424190 1Rh 1dz2 0.014962 -0.019366 0.033367 -0.005274 0.018974 -0.013887 1Rh 1dxz -0.005921 -0.003354 0.015813 -0.009307 0.015805 -0.007694 1Rh 1dyz 0.023213 0.007522 -0.015793 0.006149 -0.006403 -0.049722 1Rh 1dx2y2 0.009141 -0.022940 0.016918 -0.016771 0.011912 -0.008917 1Rh 1dxy 0.017316 0.010547 0.004766 -0.016839 0.000088 -0.015927 1Rh 2dz2 -0.002666 0.003943 -0.008595 0.002006 -0.004390 0.002780 1Rh 2dxz 0.001904 0.000774 -0.003584 0.001942 -0.001238 0.001848 1Rh 2dyz -0.002852 -0.002435 0.000391 -0.000885 -0.000642 0.010626 1Rh 2dx2y2 -0.001294 0.003906 -0.002889 0.002337 -0.004947 0.001834 1Rh 2dxy -0.002624 -0.001938 -0.001019 0.003279 -0.002143 0.003800 1Rh 3dz2 -0.019576 0.023363 -0.032565 0.002607 -0.020762 0.016936 1Rh 3dxz 0.004217 0.003748 -0.017475 0.011254 -0.027579 0.008206 1Rh 3dyz -0.035914 -0.005177 0.031408 -0.009082 0.016392 0.057960 1Rh 3dx2y2 -0.013475 0.030771 -0.023057 0.024658 -0.003714 0.010720 1Rh 3dxy -0.024649 -0.013493 -0.005414 0.020969 0.008950 0.016996 1Rh 4dz2 -0.048810 0.072534 -0.154471 0.031160 -0.079531 0.050297 1Rh 4dxz 0.029662 0.012905 -0.067164 0.033770 -0.030293 0.031409 1Rh 4dyz -0.053359 -0.042772 0.011938 -0.016758 -0.010559 0.189702 1Rh 4dx2y2 -0.023229 0.074627 -0.053177 0.052035 -0.082687 0.033461 1Rh 4dxy -0.048593 -0.036576 -0.021341 0.061516 -0.032703 0.065026 1Rh 5dz2 0.040138 -0.187022 0.460445 -0.089809 0.257536 -0.063590 1Rh 5dxz -0.049046 -0.040361 0.182050 -0.056377 0.025124 -0.059309 1Rh 5dyz -0.124152 0.120264 0.181833 0.019105 0.230826 -0.311985 1Rh 5dx2y2 -0.029321 -0.109121 0.104550 -0.123953 0.263112 -0.065336 1Rh 5dxy -0.022048 0.078593 0.097391 -0.128370 0.190889 -0.111265 1Rh 1f0 -0.006648 -0.010776 -0.012339 -0.016449 0.006135 0.000060 1Rh 1f+1 -0.000565 -0.003607 -0.004375 0.012158 -0.012524 -0.003038 1Rh 1f-1 0.010807 -0.009437 -0.002168 0.002303 -0.018498 0.009853 1Rh 1f+2 0.005354 -0.006822 0.006940 0.011560 0.014396 0.003715 1Rh 1f-2 0.010637 -0.022597 -0.013190 0.006485 -0.001510 0.006669 1Rh 1f+3 0.002294 0.009429 0.020955 0.023333 -0.012916 -0.003334 1Rh 1f-3 0.010066 -0.007472 0.000931 0.002469 -0.000475 0.006292 2C 1s 0.000973 -0.001986 0.000040 -0.000567 -0.001842 -0.004395 2C 2s 0.001422 -0.004306 0.000370 0.000186 -0.003779 -0.009934 2C 3s 0.059734 -0.018730 -0.030289 0.002131 0.008914 -0.119347 2C 4s -0.416122 0.169691 0.204912 -0.101450 -0.028469 0.942019 2C 5s -1.228839 0.936129 -0.898557 -0.460167 0.142115 6.403384 2C 1pz 0.011216 0.008648 -0.038038 0.070712 0.023332 0.046752 2C 1px 0.057249 -0.066987 -0.001012 -0.070243 0.005040 -0.009964 2C 1py -0.031826 -0.023583 0.031997 0.031597 0.057885 0.013887 2C 2pz -0.024698 0.138605 -0.082246 0.345154 -0.011102 0.552789 2C 2px 0.164838 -0.039159 0.110302 -0.324063 0.286775 -0.138916 2C 2py -0.290091 -0.082499 0.131803 0.158776 0.286740 0.239983 2C 3pz -0.298804 0.355460 -0.637132 0.064122 0.253435 1.620590 2C 3px 0.100222 -0.019773 0.241825 -0.372168 -0.213611 0.531254 2C 3py -0.309601 0.046507 0.327508 0.193163 0.062558 0.965643 2C 1dz2 0.000563 0.004372 -0.003989 -0.003036 -0.001917 0.005821 2C 1dxz -0.005690 0.004401 0.003652 0.002138 0.004316 -0.000130 2C 1dyz -0.000382 -0.002733 0.000603 -0.003842 -0.003252 0.001482 2C 1dx2y2 0.000323 0.001292 0.000849 -0.002047 0.003657 -0.005921 2C 1dxy 0.000201 0.002463 0.001656 -0.000056 0.000931 -0.001234 2C 2dz2 -0.068080 -0.091969 -0.133064 0.242601 0.333223 -0.047658 2C 2dxz -0.211665 -0.194672 -0.057415 0.462673 -0.186983 0.222755 2C 2dyz 0.148043 -0.062359 0.149629 0.198357 0.348739 -0.115451 2C 2dx2y2 0.090082 -0.311243 0.158816 -0.530608 0.101972 -0.187632 2C 2dxy 0.296148 0.072144 -0.277390 0.076549 -0.295719 0.180383 2C 1f0 -0.005209 -0.013712 0.012318 -0.012140 0.011449 -0.005907 2C 1f+1 0.008985 0.001100 -0.005719 -0.001035 0.001663 0.001776 2C 1f-1 -0.003634 0.002172 -0.003282 0.021039 0.001108 0.020151 2C 1f+2 -0.002600 0.000348 -0.008055 0.015933 -0.006122 -0.004283 2C 1f-2 -0.013931 -0.000033 -0.000124 0.001279 -0.004322 0.015039 2C 1f+3 -0.005035 -0.008976 0.000104 0.018055 0.014397 -0.006612 2C 1f-3 0.010566 -0.000870 0.004198 -0.010983 0.011478 -0.010582 3C 1s -0.002212 0.004048 -0.000356 -0.002890 -0.000733 0.003669 3C 2s -0.004416 0.011130 -0.001162 -0.006739 -0.000952 0.008316 3C 3s -0.013106 -0.088238 0.023626 0.024680 -0.017393 0.131429 3C 4s 0.145561 0.334185 -0.136168 -0.140429 0.099446 -0.991553 3C 5s 2.269158 -1.164553 0.251647 1.279118 -0.424296 -5.941402 3C 1pz 0.095462 0.055302 -0.038390 0.071314 0.022868 -0.018675 3C 1px -0.078755 -0.033136 -0.001731 0.063759 -0.011971 -0.046588 3C 1py -0.045865 0.092827 -0.066836 -0.060153 0.000943 0.005178 3C 2pz 0.423936 0.349078 -0.065876 0.337195 0.057161 -0.298211 3C 2px -0.128554 -0.172136 -0.262020 0.336301 0.051924 -0.153779 3C 2py -0.152143 0.278300 -0.298821 -0.219403 -0.091332 0.386586 3C 3pz 0.614559 0.406555 -0.229585 0.405227 0.291861 -0.669518 3C 3px -0.214138 -0.142718 0.080341 0.489957 -0.425618 -0.902220 3C 3py -0.684110 0.547060 -0.177581 -0.316443 0.084563 1.437563 3C 1dz2 -0.000305 0.001874 0.000903 0.001295 0.000025 -0.000864 3C 1dxz 0.004178 0.001300 0.000134 -0.002509 -0.001717 0.000083 3C 1dyz 0.005653 -0.001374 -0.002724 0.003233 0.001869 0.003079 3C 1dx2y2 0.000865 -0.003721 0.001191 0.002303 -0.002862 0.007488 3C 1dxy -0.003836 -0.001583 0.005701 -0.002747 0.001222 0.000712 3C 2dz2 0.096393 0.402699 -0.341118 0.015602 0.155099 -0.039105 3C 2dxz 0.376895 0.062566 0.410149 -0.156239 0.133567 0.053109 3C 2dyz 0.132728 0.559308 -0.103607 -0.405112 -0.108213 -0.080527 3C 2dx2y2 -0.536182 -0.192451 0.161898 -0.490479 -0.068726 -0.101252 3C 2dxy -0.014106 -0.115464 -0.211712 -0.404125 0.048678 0.132456 3C 1f0 -0.020245 -0.010258 0.001446 -0.030306 -0.003006 0.004832 3C 1f+1 -0.016092 -0.012400 -0.007558 0.002873 -0.001231 -0.000393 3C 1f-1 0.002670 0.017305 -0.010882 -0.005135 -0.002593 -0.006180 3C 1f+2 -0.003860 -0.008307 0.000651 0.003914 0.001614 0.018603 3C 1f-2 0.004507 0.001742 0.003960 -0.003036 -0.002265 0.014285 3C 1f+3 0.006718 -0.013876 0.019634 0.001563 0.003545 -0.002960 3C 1f-3 0.013404 0.017856 0.001348 -0.019435 0.004319 0.000436 4C 1s 0.003465 0.004637 -0.006541 -0.001317 -0.002665 0.008257 4C 2s 0.010027 0.011739 -0.017653 -0.006012 -0.009787 0.017153 4C 3s -0.149264 0.013940 0.107803 0.202020 0.194116 0.169894 4C 4s 0.415431 -0.405436 -0.145143 -1.388680 -1.149109 -0.865556 4C 5s 1.672576 -2.036390 1.016532 -0.193347 0.490654 -5.493467 4C 1pz -0.023434 0.038641 0.046116 0.006205 -0.009443 0.034827 4C 1px -0.027787 0.027676 -0.028703 -0.046107 0.094105 -0.048150 4C 1py -0.042831 -0.039452 0.022713 -0.013898 0.013681 0.006180 4C 2pz 0.063147 -0.019147 0.160832 0.461879 0.049198 -0.061527 4C 2px 0.038295 -0.434815 -0.617024 -0.136751 0.301726 -0.029553 4C 2py 0.060988 -0.207224 -0.126248 0.237591 0.128424 -0.057265 4C 3pz -1.055127 0.260966 0.441036 -0.456882 -0.012154 3.814266 4C 3px -0.001670 -0.952111 -0.957113 -0.246162 0.256544 0.612868 4C 3py -0.538542 0.163729 -0.759866 -0.688871 0.229123 2.620715 4C 1dz2 -0.002311 0.003693 0.005894 0.005404 0.001445 0.007763 4C 1dxz -0.002495 -0.003437 0.002058 0.000908 0.002188 0.011804 4C 1dyz 0.001449 0.000777 -0.004384 -0.001613 0.004234 0.006778 4C 1dx2y2 0.004813 -0.002502 0.000108 -0.004672 -0.003056 -0.012937 4C 1dxy 0.006865 -0.001264 -0.002299 -0.002543 -0.004495 0.001467 4C 2dz2 0.103265 -0.060080 0.045739 0.087671 -0.102327 -0.123016 4C 2dxz -0.113114 -0.178653 -0.285392 0.027196 0.036901 0.032866 4C 2dyz 0.047489 -0.042269 0.024060 0.052531 0.139905 -0.546981 4C 2dx2y2 0.072943 -0.217429 0.004118 -0.104805 0.036752 -0.243967 4C 2dxy 0.219631 -0.123384 -0.099034 0.023556 -0.056604 -0.140735 4C 1f0 -0.000311 0.004978 -0.007421 0.007790 -0.002508 0.017621 4C 1f+1 -0.012632 0.006546 0.004404 0.004710 0.012134 0.016269 4C 1f-1 -0.006433 0.004957 0.007724 0.014219 0.004241 0.008143 4C 1f+2 0.010824 0.002465 0.010545 -0.014440 -0.004568 -0.023953 4C 1f-2 0.000333 -0.003845 -0.003006 0.001025 0.007400 -0.002102 4C 1f+3 0.001832 0.005481 0.015163 -0.001802 0.001827 -0.003498 4C 1f-3 -0.010639 0.013894 0.014940 0.008101 0.004137 0.016886 5C 1s -0.001094 0.005849 -0.001477 0.002847 -0.001922 -0.005315 5C 2s -0.005092 0.017279 -0.004658 0.002760 -0.006784 -0.009862 5C 3s 0.211428 -0.066338 0.024869 0.220136 0.161848 -0.169277 5C 4s -1.044936 -0.085080 -0.004049 -1.544506 -0.875336 0.652779 5C 5s -2.106372 -2.346178 1.114225 -0.268562 -0.137266 5.066139 5C 1pz 0.017548 0.006356 0.012528 -0.009711 -0.027324 -0.016954 5C 1px 0.024163 -0.011502 -0.073736 -0.016018 0.069884 0.006936 5C 1py 0.001595 0.019785 0.001887 0.033921 -0.023550 0.032914 5C 2pz 0.163409 -0.111239 0.214241 0.398133 -0.231976 0.098509 5C 2px -0.264228 -0.154280 0.074290 -0.188749 0.545755 -0.041816 5C 2py -0.182350 0.226860 -0.321038 -0.533973 0.153481 -0.110365 5C 3pz 0.917188 -1.178418 0.208143 0.137814 -0.653845 -2.148750 5C 3px -0.082250 -0.157474 0.359832 -0.473924 0.674564 -1.457170 5C 3py -1.460894 0.591077 -0.036915 -0.373776 0.415048 3.608123 5C 1dz2 0.006900 -0.002018 -0.000613 0.000955 0.000276 -0.000442 5C 1dxz 0.000967 -0.001857 0.004870 0.001454 0.002356 -0.010672 5C 1dyz 0.000803 0.009649 -0.003038 -0.006763 0.002706 0.002718 5C 1dx2y2 -0.009006 -0.003390 0.002058 -0.008295 -0.005529 0.012502 5C 1dxy 0.000250 0.001488 0.001793 -0.003802 -0.002683 0.009759 5C 2dz2 0.198248 0.235211 -0.245288 0.136339 0.080808 -0.249912 5C 2dxz 0.023959 0.193210 0.070426 -0.143060 0.084447 -0.103924 5C 2dyz 0.038045 0.103692 0.043437 -0.037487 0.045676 -0.484837 5C 2dx2y2 -0.192974 -0.165210 0.037343 -0.068635 0.130576 -0.062943 5C 2dxy 0.012390 -0.022373 0.029049 0.040337 -0.175538 -0.207268 5C 1f0 -0.002774 0.004035 -0.001018 -0.008089 0.010759 -0.006302 5C 1f+1 0.016419 0.010101 -0.004299 0.010869 -0.003689 -0.010527 5C 1f-1 -0.006494 -0.007613 0.002135 -0.005434 0.002317 0.002078 5C 1f+2 -0.004911 -0.004579 -0.007520 -0.002236 -0.010146 0.005760 5C 1f-2 -0.008290 -0.008614 -0.001826 -0.004201 -0.018354 0.016265 5C 1f+3 0.015386 0.006686 -0.008984 0.023805 0.002528 -0.015471 5C 1f-3 -0.016031 -0.011410 -0.002018 -0.005272 -0.008473 0.021204 6C 1s -0.001067 -0.005959 0.001519 -0.000540 0.003588 -0.005192 6C 2s -0.004987 -0.017682 0.004690 -0.004946 0.005886 -0.009591 6C 3s 0.212492 0.076295 -0.021716 0.237178 0.127704 -0.168964 6C 4s -1.052495 0.037458 -0.038069 -1.442958 -1.018929 0.637976 6C 5s -2.145296 2.278869 -1.017716 -0.199008 -0.199307 5.069336 6C 1pz -0.019731 0.007050 0.014034 0.028868 -0.003755 0.017691 6C 1px -0.024623 -0.013145 -0.074674 -0.054760 0.045714 -0.005487 6C 1py -0.002202 0.019395 -0.000745 0.006080 -0.041634 -0.034638 6C 2pz -0.161166 -0.117468 0.206617 0.032654 -0.458048 -0.105911 6C 2px 0.269975 -0.157343 0.067396 -0.411086 0.399916 0.025285 6C 2py 0.175729 0.237222 -0.307486 0.097000 0.547227 0.125712 6C 3pz -0.894550 -1.206519 0.261795 0.555439 -0.397524 2.143568 6C 3px 0.094583 -0.168704 0.383594 -0.425011 0.692993 1.417159 6C 3py 1.434338 0.646296 -0.109979 -0.232290 0.518117 -3.629329 6C 1dz2 0.007089 0.002120 0.000549 0.000452 0.000691 -0.000382 6C 1dxz 0.000986 0.001918 -0.004996 0.002809 0.000433 -0.010489 6C 1dyz 0.001044 -0.009712 0.002814 -0.000359 -0.007347 0.002424 6C 1dx2y2 -0.009095 0.003045 -0.002028 -0.008409 -0.005164 0.012712 6C 1dxy 0.000304 -0.001529 -0.001740 -0.003841 -0.002318 0.009669 6C 2dz2 0.199050 -0.229683 0.242364 0.119954 0.084988 -0.257236 6C 2dxz 0.024038 -0.190919 -0.074310 0.021267 -0.162208 -0.101788 6C 2dyz 0.044667 -0.104260 -0.054625 0.023246 -0.045418 -0.480987 6C 2dx2y2 -0.200595 0.161205 -0.037815 0.085457 -0.115720 -0.064293 6C 2dxy 0.012500 0.020191 -0.036578 -0.141049 0.112058 -0.211730 6C 1f0 0.002736 0.004037 -0.000946 -0.006115 0.011758 0.006214 6C 1f+1 -0.016663 0.009649 -0.004215 -0.001206 -0.011331 0.010748 6C 1f-1 0.006730 -0.007536 0.002184 0.000154 0.005957 -0.002178 6C 1f+2 0.005119 -0.004499 -0.007479 0.010190 -0.002184 -0.005500 6C 1f-2 0.008590 -0.008071 -0.001776 0.018214 -0.003834 -0.015991 6C 1f+3 -0.015682 0.006010 -0.009230 -0.012043 -0.020248 0.015649 6C 1f-3 0.016548 -0.011027 -0.002311 0.009761 0.001194 -0.021187 7C 1s 0.003755 -0.004645 0.006490 -0.003240 -0.000293 0.008056 7C 2s 0.010817 -0.011751 0.017237 -0.012062 -0.001801 0.016570 7C 3s -0.150809 -0.016116 -0.087485 0.262987 0.098758 0.175128 7C 4s 0.404388 0.406777 0.030775 -1.618100 -0.750018 -0.876413 7C 5s 1.563120 2.095491 -1.140193 0.378413 -0.327705 -5.440519 7C 1pz 0.023419 0.039765 0.045346 0.003342 -0.011931 -0.035862 7C 1px 0.027057 0.028101 -0.028795 -0.063751 0.081956 0.049532 7C 1py 0.044724 -0.038026 0.022522 -0.007540 0.017603 -0.006706 7C 2pz -0.065780 -0.027752 0.140884 -0.230637 -0.393388 0.049554 7C 2px -0.030319 -0.437039 -0.622380 -0.182804 0.279555 0.031002 7C 2py -0.058658 -0.214022 -0.139988 -0.200516 -0.149693 0.049483 7C 3pz 1.056538 0.282218 0.366936 0.193868 0.437780 -3.819141 7C 3px 0.018574 -0.958752 -0.976999 -0.074932 0.384212 -0.593447 7C 3py 0.547968 0.177615 -0.812671 0.115619 0.759387 -2.615158 7C 1dz2 -0.002116 -0.003747 -0.005552 0.003660 0.004179 0.007799 7C 1dxz -0.002504 0.003394 -0.001643 0.002356 -0.000194 0.011917 7C 1dyz 0.001262 -0.000670 0.004512 0.002885 -0.003558 0.006806 7C 1dx2y2 0.004799 0.002741 -0.000727 -0.004844 -0.002872 -0.012984 7C 1dxy 0.006767 0.001328 0.002098 -0.005181 -0.000641 0.001467 7C 2dz2 0.098799 0.059995 -0.043228 -0.049779 0.129397 -0.119310 7C 2dxz -0.115171 0.176896 0.292696 0.031150 0.000582 0.032736 7C 2dyz 0.047173 0.052544 -0.029063 0.147067 -0.008080 -0.549867 7C 2dx2y2 0.058267 0.221866 -0.013148 -0.015369 -0.106780 -0.236528 7C 2dxy 0.213376 0.126060 0.094824 -0.042963 0.037411 -0.142025 7C 1f0 -0.000005 0.005142 -0.008200 -0.000760 -0.007771 -0.017527 7C 1f+1 0.012262 0.006908 0.003295 -0.013011 0.000955 -0.016307 7C 1f-1 0.006055 0.005106 0.006833 -0.009909 -0.011301 -0.008468 7C 1f+2 -0.010498 0.002198 0.011892 0.009867 0.010379 0.024027 7C 1f-2 -0.000237 -0.003840 -0.003299 -0.006828 0.002511 0.001920 7C 1f+3 -0.001949 0.005443 0.015289 -0.001503 0.001926 0.003509 7C 1f-3 0.010224 0.014205 0.014013 -0.007923 -0.005900 -0.017137 8C 1s -0.002082 -0.004160 0.000348 -0.001820 -0.002282 0.003608 8C 2s -0.004049 -0.011388 0.001125 -0.003541 -0.005647 0.008150 8C 3s -0.016939 0.089317 -0.019563 -0.004154 0.028163 0.133402 8C 4s 0.161968 -0.337957 0.106653 0.019603 -0.159827 -1.000944 8C 5s 2.215147 1.266959 -0.335264 0.128715 1.343800 -5.925029 8C 1pz -0.095340 0.052088 -0.040266 -0.049385 -0.054063 0.019575 8C 1px 0.080678 -0.034195 -0.002856 -0.015717 -0.063581 0.044764 8C 1py 0.044116 0.094802 -0.064988 0.026581 0.054440 -0.002292 8C 2pz -0.431052 0.335807 -0.068142 -0.188412 -0.283980 0.296031 8C 2px 0.135580 -0.180837 -0.269032 -0.177051 -0.276012 0.155610 8C 2py 0.148594 0.283088 -0.301259 0.181909 0.162483 -0.377097 8C 3pz -0.608585 0.383042 -0.233021 -0.433847 -0.242400 0.681381 8C 3px 0.223634 -0.151380 0.090015 0.184634 -0.630391 0.905325 8C 3py 0.670839 0.574293 -0.197324 0.052317 0.322678 -1.414717 8C 1dz2 -0.000131 -0.001890 -0.000859 0.000718 0.001273 -0.000840 8C 1dxz 0.004236 -0.001229 -0.000282 -0.002561 -0.001569 0.000042 8C 1dyz 0.005554 0.001591 0.002853 0.002934 0.001942 0.003011 8C 1dx2y2 0.000874 0.003731 -0.000995 -0.001497 0.003259 0.007493 8C 1dxy -0.003901 0.001510 -0.005701 0.000174 -0.002892 0.000897 8C 2dz2 0.103467 -0.400998 0.338723 0.140187 -0.059543 -0.053098 8C 2dxz 0.372195 -0.052098 -0.418127 0.068651 -0.196735 0.060717 8C 2dyz 0.152632 -0.565188 0.083967 -0.273513 -0.315711 -0.087502 8C 2dx2y2 -0.545407 0.172295 -0.174474 -0.263819 -0.405161 -0.107514 8C 2dxy -0.019468 0.113235 0.201902 -0.132748 -0.394085 0.121442 8C 1f0 0.020662 -0.009365 0.001978 0.015424 0.026087 -0.004346 8C 1f+1 0.016266 -0.012216 -0.007717 -0.000042 -0.003377 0.000393 8C 1f-1 -0.003421 0.017421 -0.010486 0.004834 0.003265 0.006444 8C 1f+2 0.004136 -0.008166 -0.000090 -0.003273 -0.002621 -0.018703 8C 1f-2 -0.004403 0.001356 0.004020 0.002890 0.001697 -0.014628 8C 1f+3 -0.006239 -0.014262 0.019511 -0.004550 -0.000227 0.002318 8C 1f-3 -0.013948 0.017840 0.002232 0.004144 0.019308 -0.000218 9C 1s 0.001016 0.001957 -0.000244 -0.001847 0.000366 -0.004455 9C 2s 0.001565 0.004208 -0.000773 -0.003203 0.002049 -0.010082 9C 3s 0.057832 0.022221 0.029419 0.006952 -0.003804 -0.119028 9C 4s -0.409169 -0.189568 -0.194770 -0.056432 -0.071351 0.943138 9C 5s -1.201489 -0.960188 1.046158 -0.123276 -0.587817 6.392841 9C 1pz -0.010191 0.008397 -0.044268 -0.048078 -0.052834 -0.047921 9C 1px -0.054530 -0.067382 -0.000139 0.027466 0.068323 0.008185 9C 1py 0.031251 -0.024998 0.029290 -0.065446 -0.000649 -0.013708 9C 2pz 0.022710 0.141835 -0.113130 -0.124585 -0.313995 -0.561553 9C 2px -0.158243 -0.040556 0.114996 -0.117783 0.416311 0.131651 9C 2py 0.283847 -0.083103 0.117473 -0.326440 -0.008268 -0.239138 9C 3pz 0.289343 0.358684 -0.692380 -0.226748 0.075999 -1.603574 9C 3px -0.091336 -0.015878 0.243722 0.343473 0.253374 -0.542382 9C 3py 0.303167 0.049151 0.298708 -0.140639 -0.121651 -0.981323 9C 1dz2 0.000798 -0.004425 0.003884 -0.003065 -0.002122 0.005557 9C 1dxz -0.005524 -0.004485 -0.003495 0.005000 0.000372 -0.000211 9C 1dyz -0.000449 0.002648 -0.000844 -0.004546 -0.002089 0.001582 9C 1dx2y2 0.000351 -0.001183 -0.001021 0.002412 -0.003430 -0.005941 9C 1dxy 0.000209 -0.002486 -0.001743 0.000949 -0.000336 -0.001239 9C 2dz2 -0.069306 0.095755 0.154121 0.390153 0.070007 -0.047572 9C 2dxz -0.209823 0.191128 0.077033 0.024091 0.492551 0.222972 9C 2dyz 0.138891 0.075221 -0.133347 0.393012 0.021043 -0.103720 9C 2dx2y2 0.065882 0.316115 -0.189522 -0.121710 -0.527581 -0.187322 9C 2dxy 0.293465 -0.063538 0.276795 -0.247415 0.181206 0.181193 9C 1f0 0.005765 -0.013834 0.012838 -0.005598 0.016001 0.005942 9C 1f+1 -0.008712 0.000771 -0.005599 -0.000646 0.002504 -0.001782 9C 1f-1 0.003189 0.002200 -0.004759 -0.009563 -0.018109 -0.020254 9C 1f+2 0.001958 0.000238 -0.008600 -0.001233 -0.016968 0.004902 9C 1f-2 0.013585 0.000487 -0.000383 0.002951 -0.003476 -0.014740 9C 1f+3 0.005378 -0.009368 -0.000955 -0.019892 -0.009943 0.006097 9C 1f-3 -0.010194 -0.001559 0.004447 -0.006193 0.014753 0.010558 10H 1s 0.010647 -0.015151 0.002326 -0.030028 0.002273 -0.012155 10H 2s -0.277293 0.133342 -0.326750 1.049053 -0.332906 0.275626 10H 3s 0.039546 0.030125 0.047332 -0.070599 0.251562 -0.522519 10H 1pz -0.003278 -0.007063 -0.011003 0.046853 -0.034594 0.012937 10H 1px 0.012228 -0.008742 0.026861 -0.060790 0.023293 -0.021736 10H 1py -0.003655 -0.007986 -0.008798 0.015655 -0.015294 0.004580 11H 1s -0.018018 -0.000797 0.013380 0.008132 0.001954 0.005186 11H 2s 0.615894 0.096633 -0.153640 -0.151804 0.088266 -0.264363 11H 3s -0.141313 -0.021617 -0.051646 -0.084478 -0.041139 -0.043418 11H 1pz 0.031729 0.019221 0.003009 -0.005310 0.007338 -0.029965 11H 1px 0.026629 0.017584 -0.012245 -0.004678 0.017411 -0.014895 11H 1py -0.025542 -0.000744 0.008869 0.008604 0.003384 -0.006243 12H 1s -0.000598 0.005247 -0.001069 0.001113 -0.007625 0.006730 12H 2s -0.187975 -0.515594 0.426556 -0.113319 0.676716 -0.521215 12H 3s 0.060180 0.017727 0.193810 0.061654 -0.279908 -0.101406 12H 1pz 0.006253 0.012124 -0.012947 -0.001384 -0.006358 -0.004436 12H 1px -0.009910 -0.005765 0.013022 0.005433 0.029318 -0.016745 12H 1py -0.009741 -0.029510 0.016104 -0.007365 0.046248 -0.041041 13H 1s -0.028760 -0.010461 -0.000609 -0.005143 -0.002289 -0.003046 13H 2s 0.866486 0.507818 0.411588 0.000209 0.123919 0.236548 13H 3s -0.057890 0.070153 -0.308542 -0.143819 0.206318 0.455999 13H 1pz 0.036762 0.020517 0.034498 0.000816 -0.003547 0.012683 13H 1px -0.039504 -0.021317 -0.018282 -0.004219 -0.010905 -0.004436 13H 1py -0.000658 -0.016884 -0.032720 0.001651 0.007148 -0.000749 14H 1s 0.011031 -0.005356 0.005658 -0.018773 -0.004899 0.008608 14H 2s -0.034274 0.194758 -0.558518 0.812808 -0.012745 0.103937 14H 3s -0.277056 0.243934 0.105456 -0.198087 -0.013158 0.106007 14H 1pz -0.005270 -0.002000 -0.015375 0.030939 -0.005927 0.011707 14H 1px 0.012459 0.005496 -0.041150 0.052442 0.005501 0.017325 14H 1py -0.008906 0.006244 0.003087 0.017331 -0.005834 -0.013446 15H 1s 0.017354 0.023821 -0.015850 -0.001620 0.005313 -0.009999 15H 2s -0.488542 -0.982191 0.470630 -0.087025 0.026016 0.285749 15H 3s -0.026079 0.252395 -0.114710 -0.184452 -0.100134 -0.006109 15H 1pz 0.023915 0.058549 -0.024854 0.002687 0.000639 -0.000824 15H 1px 0.001988 -0.011647 -0.001498 -0.003603 0.010255 0.015571 15H 1py 0.029069 0.050819 -0.015638 -0.001455 -0.010916 -0.028968 16H 1s -0.017368 -0.000612 0.006542 0.012331 0.011520 0.009623 16H 2s 0.002585 0.085966 0.289023 0.444502 -0.157700 0.106283 16H 3s 0.032346 -0.030848 -0.080142 -0.084564 0.287212 0.047622 16H 1pz 0.016539 0.012241 0.005975 -0.012743 -0.018849 0.005100 16H 1px 0.000076 0.011539 0.029288 -0.039826 0.011333 0.015886 16H 1py 0.007316 0.002840 0.025983 0.049348 0.001852 -0.001227 17H 1s 0.021060 -0.005118 -0.003394 0.013793 0.002118 -0.003905 17H 2s 0.010894 -0.059152 0.227220 0.265683 -0.137145 -0.054584 17H 3s -0.017364 -0.030657 -0.130941 -0.050835 0.187683 -0.019457 17H 1pz -0.024273 -0.024105 -0.010057 0.017427 0.020702 -0.009759 17H 1px 0.048460 0.018755 0.004819 0.046524 -0.016961 0.015971 17H 1py 0.007368 0.000475 0.020512 0.071695 -0.012904 0.009475 18H 1s 0.020447 0.005450 0.003231 0.008291 0.011605 -0.003407 18H 2s 0.003333 0.060914 -0.223916 0.001942 0.304251 -0.050955 18H 3s -0.018474 0.033061 0.134249 0.140728 -0.127353 -0.017544 18H 1pz 0.024355 -0.024373 -0.011352 -0.024451 -0.005250 0.011305 18H 1px -0.048384 0.017605 0.003085 -0.005866 -0.049615 -0.017374 18H 1py -0.006883 -0.001571 0.016944 -0.020577 -0.071670 -0.008876 19H 1s -0.017110 -0.000235 -0.005329 0.015838 0.007121 0.010154 19H 2s 0.001357 -0.084128 -0.272482 0.063600 0.477140 0.113959 19H 3s 0.024752 0.030213 0.079912 0.223207 -0.199092 0.049875 19H 1pz -0.015741 0.012036 0.006461 0.021850 0.004718 -0.005402 19H 1px 0.000616 0.013139 0.029855 0.004724 0.039205 -0.016954 19H 1py -0.008497 0.002192 0.024324 -0.022757 -0.043171 0.001031 20H 1s 0.017941 -0.023398 0.015523 0.003640 -0.003677 -0.010676 20H 2s -0.513385 0.974694 -0.461556 0.005269 -0.093287 0.299663 20H 3s -0.015035 -0.257849 0.104042 -0.174947 -0.120298 -0.002440 20H 1pz -0.025483 0.058305 -0.024697 -0.000958 -0.002254 0.001766 20H 1px -0.001322 -0.012412 -0.001835 -0.007985 0.008059 -0.015721 20H 1py -0.030804 0.050212 -0.014388 0.011221 -0.004007 0.029068 21H 1s 0.011178 0.005133 -0.006214 -0.012164 -0.015099 0.008333 21H 2s -0.033039 -0.177908 0.584687 0.313106 0.732667 0.102322 21H 3s -0.271210 -0.257197 -0.107978 -0.086939 -0.166871 0.099835 21H 1pz 0.005149 -0.002524 -0.016610 -0.007082 -0.030496 -0.012265 21H 1px -0.012444 0.004070 -0.042905 -0.025769 -0.043866 -0.016904 21H 1py 0.009144 0.006077 0.002563 -0.002257 -0.018660 0.013205 22H 1s -0.028916 0.009898 0.000684 -0.004350 -0.003335 -0.002954 22H 2s 0.879780 -0.494775 -0.411398 0.129197 -0.048592 0.246493 22H 3s -0.056300 -0.074607 0.315487 0.120720 -0.224336 0.449381 22H 1pz -0.037116 0.019917 0.034476 0.001754 -0.002696 -0.013637 22H 1px 0.040103 -0.020587 -0.018282 0.012379 -0.000673 0.005121 22H 1py 0.001290 -0.017128 -0.033161 -0.005808 0.002415 0.001732 23H 1s -0.000869 -0.005559 0.001302 -0.005934 0.005103 0.006961 23H 2s -0.199088 0.526325 -0.427720 0.567666 -0.403343 -0.517218 23H 3s 0.058386 -0.023556 -0.203675 -0.213358 0.182045 -0.094832 23H 1pz -0.006735 0.012211 -0.012892 0.006735 -0.002475 0.004608 23H 1px 0.009919 -0.006054 0.012174 -0.028543 0.007264 0.016365 23H 1py 0.010303 -0.030533 0.016372 -0.038627 0.027235 0.040963 24H 1s -0.017772 0.000334 -0.013117 0.006200 0.006941 0.004514 24H 2s 0.600456 -0.087778 0.157806 0.000313 -0.175516 -0.250342 24H 3s -0.138719 0.020111 0.042994 -0.069135 -0.050212 -0.052443 24H 1pz -0.031560 0.018262 0.003352 -0.003840 0.007888 0.028902 24H 1px -0.026520 0.017320 -0.012719 -0.012822 0.011747 0.014570 24H 1py 0.024390 0.000080 0.008979 -0.007672 -0.006414 0.006858 25H 1s 0.009896 0.015167 -0.003563 -0.010594 -0.028607 -0.011995 25H 2s -0.257570 -0.136064 0.368062 0.133302 1.091408 0.268639 25H 3s 0.039311 -0.027745 -0.056745 0.201627 -0.158724 -0.527577 25H 1pz 0.002824 -0.006745 -0.012586 0.012052 -0.057140 -0.013230 25H 1px -0.010843 -0.008607 0.029483 0.003581 0.064333 0.021316 25H 1py 0.003486 -0.008323 -0.008777 0.007639 -0.019855 -0.004440 26O 1s 0.005803 0.012319 0.010454 -0.013676 0.011818 -0.006186 26O 2s 0.012805 0.027270 0.023386 -0.030051 0.027851 -0.012757 26O 3s 0.011738 0.004564 0.000518 -0.021230 -0.019905 -0.029650 26O 4s -0.293716 -0.593018 -0.519412 0.660510 -0.387868 0.314133 26O 5s 0.233683 2.502098 2.022501 -0.939251 0.316403 0.215871 26O 1pz -0.060270 0.028242 0.010896 0.015271 -0.016225 0.019111 26O 1px -0.029120 -0.006715 -0.018217 0.037342 0.044802 -0.045222 26O 1py -0.040544 -0.013095 0.006870 0.013066 0.021727 0.002389 26O 2pz -0.150532 0.070748 0.024696 0.046780 -0.016012 0.128124 26O 2px -0.002929 -0.124064 -0.090654 0.086902 0.086902 -0.199982 26O 2py -0.068876 0.000771 -0.062402 0.051048 0.019950 0.028578 26O 3pz 0.933048 -0.102407 0.158902 -0.759978 0.000706 -0.501648 26O 3px 0.539910 -0.617259 -0.615437 -1.077197 -0.152130 0.172305 26O 3py 0.371106 -0.796738 0.024619 -0.890337 0.127884 -0.606404 26O 1dz2 -0.002151 0.000268 0.001649 0.002739 0.001137 -0.002539 26O 1dxz 0.002554 0.000006 0.000383 -0.002881 -0.000839 -0.001032 26O 1dyz 0.001128 0.001228 -0.002519 0.002088 -0.001366 -0.004934 26O 1dx2y2 0.001570 -0.005089 -0.002475 -0.001214 -0.000524 0.000310 26O 1dxy 0.000095 -0.007111 -0.004239 -0.002965 -0.000020 -0.005067 26O 2dz2 0.049474 -0.040166 -0.012265 -0.027151 -0.003236 0.004414 26O 2dxz -0.012408 0.002858 0.036940 -0.003407 -0.000186 0.021110 26O 2dyz 0.022431 0.020406 -0.011948 -0.006538 0.004727 0.005744 26O 2dx2y2 -0.002633 0.007064 0.022274 0.015994 -0.001510 0.008589 26O 2dxy -0.006504 0.017067 0.036756 0.005267 -0.000125 0.020188 26O 1f0 -0.000168 -0.000908 0.000762 -0.000874 0.001181 -0.000674 26O 1f+1 -0.003298 0.003063 0.003793 0.000300 0.001137 0.004916 26O 1f-1 -0.000467 0.002573 0.003488 -0.002045 0.002473 0.002782 26O 1f+2 0.001552 -0.000349 -0.000795 0.002165 -0.001259 -0.001306 26O 1f-2 -0.000071 0.000179 0.000799 -0.001016 -0.000109 0.003837 26O 1f+3 -0.001775 0.000076 0.001361 0.000780 0.000055 0.002324 26O 1f-3 -0.002605 0.001951 0.002585 0.001104 0.000517 0.003064 27O 1s -0.004517 -0.013731 -0.019445 0.001958 0.005804 0.002499 27O 2s -0.009085 -0.031183 -0.043084 0.004796 0.013735 0.005213 27O 3s -0.030004 -0.005814 -0.013539 -0.012293 -0.011307 0.014595 27O 4s 0.309443 0.601199 0.874647 -0.091522 -0.146018 -0.100817 27O 5s 0.171520 -0.385924 -2.210206 0.944668 -0.261453 -0.497238 27O 1pz 0.041811 0.020297 -0.013845 -0.011988 -0.037637 -0.005163 27O 1px 0.053658 0.021852 -0.008684 0.002868 0.004842 0.034260 27O 1py -0.055090 -0.044423 -0.001100 0.022096 -0.007587 0.022928 27O 2pz 0.137794 0.025336 -0.014929 -0.070152 -0.042374 -0.054415 27O 2px 0.028605 -0.002681 0.064969 -0.067756 0.013265 0.196378 27O 2py -0.155528 -0.127547 0.036418 0.064016 -0.026666 0.085571 27O 3pz -0.737314 -0.222176 -0.266112 0.547691 0.082337 0.179591 27O 3px -1.269583 -0.999859 0.124972 -0.519437 0.471583 -0.406962 27O 3py 1.218855 0.964155 -0.101156 0.144778 0.021029 -0.232810 27O 1dz2 0.005284 0.002200 -0.001459 -0.000404 -0.000550 -0.001548 27O 1dxz -0.000395 -0.000195 -0.002199 -0.001016 0.001265 0.003032 27O 1dyz -0.001695 -0.001262 -0.001608 0.002124 -0.002467 -0.005053 27O 1dx2y2 -0.003829 -0.003743 0.003025 -0.002893 0.002470 -0.001605 27O 1dxy 0.005829 0.001189 -0.001698 0.005843 -0.001257 -0.002432 27O 2dz2 -0.015382 -0.019990 0.000968 -0.007939 0.019925 0.010399 27O 2dxz 0.002796 -0.009377 -0.007350 -0.006681 -0.000243 -0.010162 27O 2dyz 0.030892 0.024174 -0.001427 0.015751 -0.043830 -0.005225 27O 2dx2y2 0.046498 0.027707 -0.001753 0.030942 0.010703 -0.003097 27O 2dxy -0.005153 0.000873 0.002446 -0.012413 0.002765 0.019249 27O 1f0 -0.001383 0.000482 0.001856 -0.000304 0.000190 0.000724 27O 1f+1 0.001945 0.000027 0.000103 0.001396 0.000099 -0.002910 27O 1f-1 0.000058 0.000324 0.000403 -0.000605 -0.000961 -0.000047 27O 1f+2 0.000326 0.000243 0.002639 0.000130 0.000446 0.000187 27O 1f-2 -0.001754 0.000304 0.002213 -0.000042 -0.000130 0.003928 27O 1f+3 0.003753 0.001341 -0.002778 0.001280 0.001819 -0.006072 27O 1f-3 -0.002510 -0.000802 0.002362 -0.001901 0.000161 0.000686 28O 1s 0.000005 0.000370 -0.003706 0.004972 0.000775 -0.003564 28O 2s 0.000305 0.000577 -0.007112 0.010709 0.002435 -0.007438 28O 3s 0.000778 0.005117 -0.019532 0.004431 -0.014407 -0.019589 28O 4s 0.022778 -0.040255 0.316611 -0.224473 -0.050857 0.197041 28O 5s -0.646285 -0.077788 -1.847680 0.762193 0.986477 0.080388 28O 1pz 0.009427 -0.041666 0.012666 -0.016808 -0.053087 0.057956 28O 1px -0.027347 0.013308 -0.003307 -0.019855 0.029826 -0.001552 28O 1py -0.007733 -0.018914 -0.025937 -0.015597 -0.044230 0.034388 28O 2pz 0.048232 -0.078178 0.067131 -0.059678 -0.135940 0.082826 28O 2px -0.136154 -0.003190 -0.059548 0.027407 0.084451 0.109486 28O 2py -0.026176 -0.050804 -0.007193 -0.040454 -0.066842 0.081194 28O 3pz -0.202988 0.532114 0.396919 0.191058 0.293739 -0.949796 28O 3px 0.139813 -0.025633 -0.694182 -0.197536 0.234016 -0.025105 28O 3py 0.298566 0.058736 0.051977 0.171131 0.078531 -0.273034 28O 1dz2 0.000669 -0.000778 0.000050 -0.004302 0.000971 -0.004016 28O 1dxz 0.001802 -0.003580 -0.006542 0.000017 0.000550 0.004570 28O 1dyz 0.002981 0.000345 0.005293 -0.000559 -0.001461 -0.004021 28O 1dx2y2 0.000556 -0.001079 0.000956 0.003137 -0.000421 -0.000059 28O 1dxy -0.002684 -0.000584 -0.001255 0.001747 0.003470 -0.001593 28O 2dz2 -0.026298 0.002997 -0.023720 -0.003526 0.012556 -0.002222 28O 2dxz 0.007062 0.003783 0.009548 0.017634 -0.032100 -0.038408 28O 2dyz -0.004753 0.015210 0.039286 0.016959 0.053495 -0.040809 28O 2dx2y2 -0.014060 -0.007259 -0.011814 0.025473 0.003713 -0.012897 28O 2dxy 0.002670 0.001592 0.019305 0.015120 0.024745 -0.043386 28O 1f0 -0.002654 0.002124 0.000060 0.000411 0.001006 0.002753 28O 1f+1 -0.001876 -0.000431 -0.001496 0.003064 -0.001593 0.002894 28O 1f-1 -0.001832 -0.000613 -0.001324 0.000855 -0.001775 0.003152 28O 1f+2 0.003282 0.000007 -0.000381 -0.001493 -0.002008 -0.005452 28O 1f-2 -0.000604 0.000001 -0.001218 0.001463 -0.000399 -0.000795 28O 1f+3 0.001436 0.000909 -0.000263 0.000521 -0.002567 -0.000958 28O 1f-3 -0.001529 -0.000428 -0.000647 0.000556 0.000271 0.002854 29O 1s -0.000502 -0.001862 -0.009632 -0.009499 0.009647 -0.000759 29O 2s 0.000078 -0.003257 -0.019162 -0.017012 0.020387 -0.001217 29O 3s -0.018965 -0.015304 -0.044315 -0.077892 0.024957 -0.008050 29O 4s 0.100453 0.161126 0.660104 0.813582 -0.564983 0.071675 29O 5s -0.185400 -0.407143 -1.584741 -1.948757 1.324381 -0.157491 29O 1pz -0.008097 0.003111 0.005929 0.012882 -0.016346 -0.003928 29O 1px 0.008662 0.013057 -0.021767 -0.002541 0.034329 0.001468 29O 1py -0.009253 0.002002 0.005362 0.001295 -0.011165 -0.011329 29O 2pz 0.033596 0.010182 0.042075 0.043675 -0.063871 -0.014898 29O 2px -0.013478 -0.014252 -0.134719 -0.142535 0.124803 -0.020410 29O 2py 0.021051 0.045687 0.046710 -0.013801 -0.064417 0.009860 29O 3pz -0.060186 0.106633 -0.097469 0.098915 0.247893 0.189096 29O 3px 0.053359 0.189948 0.530812 0.569615 -0.639511 0.092496 29O 3py -0.179742 -0.214149 0.076130 0.381436 0.062110 -0.089569 29O 1dz2 -0.000755 -0.000426 0.002301 0.004085 0.000499 0.001294 29O 1dxz 0.000490 -0.000649 -0.000094 0.004371 0.000492 -0.000893 29O 1dyz -0.000192 0.001796 0.000540 0.001913 0.000157 0.002535 29O 1dx2y2 0.000508 0.001441 0.001727 0.000475 -0.002572 0.000231 29O 1dxy -0.002779 -0.001129 -0.000960 -0.000424 -0.000472 -0.000744 29O 2dz2 -0.030426 -0.021523 -0.006721 -0.004234 0.009108 -0.023446 29O 2dxz 0.000129 -0.001103 -0.033200 0.028170 -0.005971 0.004729 29O 2dyz 0.014782 0.010386 0.000697 -0.017081 -0.015509 0.008854 29O 2dx2y2 0.051349 0.021355 0.039217 0.113584 -0.022523 0.023125 29O 2dxy -0.031554 -0.028958 -0.020572 0.046093 0.029966 -0.026339 29O 1f0 0.000920 0.000900 0.001385 0.000553 -0.002310 -0.000296 29O 1f+1 0.000550 -0.000304 -0.001054 0.000288 0.000979 0.000323 29O 1f-1 0.000678 0.000020 0.000369 0.000423 -0.001061 -0.000921 29O 1f+2 -0.001214 -0.001037 -0.000851 -0.000653 0.002238 -0.000794 29O 1f-2 -0.001952 0.000706 0.001126 0.000671 -0.000050 0.000963 29O 1f+3 0.001707 0.000197 -0.001022 0.001877 0.000854 0.000480 29O 1f-3 0.002250 0.000719 -0.000220 0.000618 0.000460 0.000022 30O 1s -0.006365 -0.005091 0.004007 -0.005982 0.007587 0.005681 30O 2s -0.013587 -0.012567 0.009158 -0.012202 0.017476 0.011772 30O 3s -0.020643 0.012012 -0.002281 -0.024857 -0.010990 0.026023 30O 4s 0.341032 0.163254 -0.103511 0.385889 -0.387215 -0.309017 30O 5s -0.289926 0.498244 -0.335826 -1.275579 2.172182 0.247016 30O 1pz -0.038291 0.008186 0.052534 -0.015586 -0.030590 -0.056036 30O 1px 0.007821 0.008980 -0.027504 -0.030536 0.026385 -0.016896 30O 1py 0.027170 -0.055742 -0.020333 0.018103 0.030828 0.061280 30O 2pz -0.102725 0.011773 0.067540 0.005897 -0.101029 -0.099309 30O 2px 0.079818 0.068077 -0.046151 -0.062065 0.098767 -0.128579 30O 2py 0.044186 -0.097102 -0.052515 0.020033 0.099126 0.122214 30O 3pz 0.377728 -0.575334 0.144600 -0.139420 -0.389900 0.797408 30O 3px -0.446201 0.156659 -0.160959 -0.284552 0.778860 0.028059 30O 3py -0.119415 0.998249 0.091044 -0.132167 0.025017 -1.018955 30O 1dz2 -0.004309 0.001885 0.001976 -0.002340 0.001795 -0.003226 30O 1dxz -0.002735 0.003205 -0.002679 0.000378 0.005175 -0.002345 30O 1dyz 0.002587 0.001226 0.000230 -0.001164 0.004833 -0.005229 30O 1dx2y2 0.004334 0.001848 0.001278 0.002952 0.000186 -0.000799 30O 1dxy 0.001940 -0.002882 -0.001780 0.001982 -0.001291 0.001466 30O 2dz2 -0.024344 0.024432 -0.008940 -0.013977 -0.004825 -0.036154 30O 2dxz 0.005501 -0.003457 -0.016676 0.006939 -0.040867 0.011421 30O 2dyz -0.030376 0.017081 0.049086 -0.004155 -0.043315 -0.022411 30O 2dx2y2 -0.005930 0.016404 -0.008023 0.017004 -0.013602 0.009767 30O 2dxy -0.008062 0.022544 -0.018009 -0.028745 0.036359 -0.057697 30O 1f0 0.000688 -0.000259 -0.001755 0.001028 0.000482 -0.000546 30O 1f+1 0.001299 0.000931 -0.001251 -0.000262 0.000206 -0.001335 30O 1f-1 -0.000305 -0.000183 0.000603 0.000481 0.000951 0.001296 30O 1f+2 -0.001411 0.000726 0.000933 0.000506 -0.003332 0.003612 30O 1f-2 -0.003210 -0.001406 0.000320 0.001207 -0.004131 0.002445 30O 1f+3 0.002078 0.001211 0.002843 -0.001455 0.000013 -0.000859 30O 1f-3 -0.002377 -0.000487 -0.000072 0.001476 -0.003865 0.005194 31O 1s -0.006499 0.004834 -0.003812 0.004457 -0.008307 0.005610 31O 2s -0.013900 0.012061 -0.008693 0.010885 -0.017768 0.011587 31O 3s -0.020676 -0.013604 0.001958 -0.019613 -0.016975 0.026385 31O 4s 0.347009 -0.146524 0.095981 -0.194083 0.496283 -0.307571 31O 5s -0.286024 -0.514735 0.354581 1.425941 -2.038338 0.258170 31O 1pz 0.037653 0.009172 0.054597 0.032325 -0.000584 0.053854 31O 1px -0.008610 0.008829 -0.026423 -0.009330 0.038915 0.017708 31O 1py -0.026078 -0.056339 -0.023096 -0.034479 -0.002441 -0.060188 31O 2pz 0.101458 0.013779 0.070774 0.085554 -0.050578 0.096007 31O 2px -0.082364 0.065516 -0.042196 -0.059833 0.097055 0.128631 31O 2py -0.042668 -0.096946 -0.058432 -0.095176 0.025301 -0.120357 31O 3pz -0.368445 -0.571831 0.142049 0.408821 -0.032672 -0.778891 31O 3px 0.443650 0.163825 -0.174400 -0.580178 0.583783 -0.031861 31O 3py 0.096537 0.984264 0.117157 0.019767 0.121573 0.995808 31O 1dz2 -0.004332 -0.001984 -0.002018 0.000760 -0.002713 -0.003260 31O 1dxz -0.002760 -0.003219 0.002772 0.004754 -0.001813 -0.002344 31O 1dyz 0.002649 -0.001095 -0.000271 0.003855 -0.003042 -0.005121 31O 1dx2y2 0.004305 -0.001708 -0.001220 0.001519 0.002564 -0.000750 31O 1dxy 0.001871 0.002890 0.001803 -0.000484 0.002246 0.001316 31O 2dz2 -0.024099 -0.025226 0.007677 -0.010256 -0.010524 -0.036882 31O 2dxz 0.005024 0.003316 0.016385 -0.033891 0.023112 0.010998 31O 2dyz -0.030116 -0.018595 -0.050444 -0.039047 0.016616 -0.020448 31O 2dx2y2 -0.005758 -0.016340 0.008339 -0.005286 0.020733 0.009872 31O 2dxy -0.007039 -0.022616 0.016246 0.018552 -0.041584 -0.058030 31O 1f0 -0.000755 -0.000268 -0.001747 -0.000779 -0.000656 0.000560 31O 1f+1 -0.001323 0.000912 -0.001186 -0.000010 0.000377 0.001372 31O 1f-1 0.000365 -0.000191 0.000552 -0.001081 -0.000015 -0.001320 31O 1f+2 0.001463 0.000807 0.000878 0.002687 -0.001878 -0.003675 31O 1f-2 0.003267 -0.001313 0.000249 0.003138 -0.002878 -0.002506 31O 1f+3 -0.002144 0.001189 0.002910 0.000516 0.001241 0.000791 31O 1f-3 0.002397 -0.000414 -0.000203 0.002792 -0.002957 -0.005257 32O 1s -0.000420 0.001784 0.009489 0.004263 -0.012950 -0.000952 32O 2s 0.000271 0.003152 0.019010 0.010411 -0.024557 -0.001630 32O 3s -0.019105 0.014225 0.041448 -0.013336 -0.082560 -0.008506 32O 4s 0.097253 -0.152964 -0.639946 -0.131269 0.995189 0.082442 32O 5s -0.177713 0.389111 1.536769 0.286704 -2.369693 -0.181482 32O 1pz 0.007374 0.003208 0.005385 0.009193 -0.018664 0.003373 32O 1px -0.009368 0.012052 -0.022978 -0.029320 0.017629 -0.000343 32O 1py 0.009114 0.002289 0.005660 0.009644 -0.006375 0.011674 32O 2pz -0.032903 0.007417 0.040425 0.035396 -0.065699 0.014651 32O 2px 0.013004 -0.013430 -0.131579 -0.046447 0.185327 0.022567 32O 2py -0.022345 0.045746 0.047698 0.062228 -0.016092 -0.009406 32O 3pz 0.052076 0.114807 -0.110407 -0.258311 0.017922 -0.194599 32O 3px -0.060254 0.185346 0.517577 0.314680 -0.796577 -0.096309 32O 3py 0.187559 -0.211382 0.067240 -0.225142 -0.324955 0.081493 32O 1dz2 -0.000809 0.000511 -0.002067 0.002273 0.003473 0.001255 32O 1dxz 0.000515 0.000758 0.000221 0.002278 0.003714 -0.000909 32O 1dyz -0.000175 -0.001806 -0.000472 0.001077 0.001940 0.002603 32O 1dx2y2 0.000538 -0.001415 -0.001762 -0.002041 0.001568 0.000216 32O 1dxy -0.002705 0.001099 0.000930 -0.000706 -0.000113 -0.000828 32O 2dz2 -0.029844 0.021257 0.006524 0.005697 -0.006820 -0.024985 32O 2dxz 0.002100 0.000200 0.033078 0.004193 0.027193 0.005455 32O 2dyz 0.014562 -0.010613 -0.001945 -0.019569 -0.005924 0.009776 32O 2dx2y2 0.052209 -0.018539 -0.034396 0.030508 0.112515 0.023037 32O 2dxy -0.030548 0.030061 0.022606 0.044834 0.029481 -0.028017 32O 1f0 -0.000914 0.000832 0.001355 0.001739 -0.001413 0.000285 32O 1f+1 -0.000562 -0.000344 -0.001133 -0.001011 0.000252 -0.000341 32O 1f-1 -0.000649 -0.000013 0.000464 0.000779 -0.000790 0.000980 32O 1f+2 0.001168 -0.000991 -0.000869 -0.001717 0.001569 0.000780 32O 1f-2 0.001953 0.000687 0.000979 -0.000247 -0.000579 -0.000904 32O 1f+3 -0.001643 0.000144 -0.001098 -0.001560 -0.001317 -0.000484 32O 1f-3 -0.002293 0.000653 -0.000226 -0.000697 -0.000431 -0.000024 33O 1s -0.000517 -0.000379 0.003701 0.002846 0.004147 -0.003881 33O 2s -0.000901 -0.000545 0.007139 0.006874 0.008597 -0.008103 33O 3s 0.001042 -0.005903 0.018254 -0.011824 0.010512 -0.020627 33O 4s 0.043770 0.045414 -0.313357 -0.137271 -0.180289 0.217196 33O 5s -0.676376 0.047150 1.896154 1.161254 0.229258 0.013830 33O 1pz -0.010295 -0.041466 0.012870 0.055235 -0.006146 -0.059525 33O 1px 0.027274 0.014183 -0.003134 -0.018756 0.030111 0.002337 33O 1py 0.007052 -0.017929 -0.025259 0.047427 -0.003678 -0.034252 33O 2pz -0.049627 -0.079519 0.069557 0.146772 -0.003285 -0.085720 33O 2px 0.135865 0.000854 -0.066245 -0.086027 0.012906 -0.107812 33O 2py 0.025502 -0.048853 -0.006636 0.078018 0.009284 -0.081420 33O 3pz 0.222723 0.532572 0.419664 -0.367478 -0.084185 0.950867 33O 3px -0.145216 -0.027033 -0.692949 -0.103365 0.303471 0.033588 33O 3py -0.281932 0.058266 0.060634 -0.153681 -0.127666 0.278927 33O 1dz2 0.000595 0.000846 -0.000301 -0.000983 -0.004214 -0.004025 33O 1dxz 0.001799 0.003559 0.006728 0.000251 -0.000506 0.004454 33O 1dyz 0.002940 -0.000312 -0.005466 -0.001320 0.000242 -0.003918 33O 1dx2y2 0.000534 0.001106 -0.000817 0.000948 0.003097 -0.000024 33O 1dxy -0.002584 0.000679 0.001443 0.003720 0.000077 -0.001600 33O 2dz2 -0.027182 -0.003043 0.024337 0.009566 -0.008080 -0.002507 33O 2dxz 0.006634 -0.003045 -0.010814 -0.021519 0.030775 -0.038374 33O 2dyz -0.005697 -0.014708 -0.038030 0.057410 -0.005885 -0.040800 33O 2dx2y2 -0.014341 0.007442 0.013164 0.014115 0.021469 -0.012103 33O 2dxy 0.002424 -0.000783 -0.019028 0.029044 0.004329 -0.043470 33O 1f0 0.002609 0.002200 -0.000064 -0.001119 0.000055 -0.002770 33O 1f+1 0.001868 -0.000361 -0.001675 0.000148 -0.003415 -0.002910 33O 1f-1 0.001885 -0.000537 -0.001417 0.001243 -0.001491 -0.003124 33O 1f+2 -0.003305 -0.000104 -0.000119 0.002511 0.000499 0.005466 33O 1f-2 0.000571 -0.000023 -0.001276 -0.000206 -0.001497 0.000809 33O 1f+3 -0.001503 0.000872 -0.000184 0.002106 -0.001547 0.000990 33O 1f-3 0.001511 -0.000400 -0.000751 -0.000450 -0.000388 -0.002840 34O 1s -0.004799 0.013605 0.019666 0.005289 -0.001273 0.001806 34O 2s -0.009710 0.030952 0.043639 0.012731 -0.002797 0.003668 34O 3s -0.030486 0.004588 0.012641 -0.016508 -0.006349 0.014303 34O 4s 0.323607 -0.590469 -0.878930 -0.132446 0.002352 -0.069060 34O 5s 0.166279 0.379186 2.203479 0.076075 0.913933 -0.591309 34O 1pz -0.043361 0.019898 -0.011909 0.039465 -0.004741 0.005593 34O 1px -0.054485 0.020292 -0.009392 -0.006230 0.000267 -0.035060 34O 1py 0.055967 -0.043445 -0.002766 -0.002050 -0.023147 -0.023706 34O 2pz -0.140277 0.023390 -0.008898 0.068490 0.046691 0.056055 34O 2px -0.028393 -0.003240 0.061464 0.012363 0.066914 -0.200858 34O 2py 0.159027 -0.125167 0.032046 -0.003123 -0.069914 -0.088782 34O 3pz 0.739258 -0.206871 -0.293654 -0.293243 -0.462637 -0.175111 34O 3px 1.298003 -0.980677 0.133837 -0.192941 0.661417 0.397803 34O 3py -1.251148 0.939301 -0.095566 -0.085506 -0.115925 0.239795 34O 1dz2 0.005211 -0.002123 0.001352 -0.000668 -0.000159 -0.001669 34O 1dxz -0.000345 0.000083 0.002242 0.000606 -0.001495 0.002937 34O 1dyz -0.001687 0.001214 0.001542 -0.001427 0.003001 -0.005078 34O 1dx2y2 -0.004029 0.003747 -0.003078 0.001071 -0.003575 -0.001449 34O 1dxy 0.005860 -0.000987 0.001774 0.001320 0.005791 -0.002425 34O 2dz2 -0.016795 0.019784 -0.000782 0.013864 -0.016038 0.010655 34O 2dxz 0.002295 0.009491 0.006808 -0.003307 -0.006016 -0.010643 34O 2dyz 0.031720 -0.023798 0.000531 -0.033079 0.033141 -0.004437 34O 2dx2y2 0.047255 -0.026392 0.002095 0.022974 0.023206 -0.004207 34O 2dxy -0.005299 -0.001080 -0.002391 -0.002970 -0.012665 0.020073 34O 1f0 0.001428 0.000481 0.001840 -0.000113 0.000320 -0.000809 34O 1f+1 -0.002029 -0.000048 0.000164 -0.000669 -0.001221 0.002942 34O 1f-1 -0.000078 0.000350 0.000437 0.001107 0.000121 0.000021 34O 1f+2 -0.000364 0.000269 0.002624 -0.000524 -0.000006 -0.000251 34O 1f-2 0.001792 0.000354 0.002112 0.000049 -0.000049 -0.004026 34O 1f+3 -0.003795 0.001237 -0.002646 -0.002074 -0.000326 0.006273 34O 1f-3 0.002537 -0.000690 0.002377 0.000603 0.001739 -0.000733 35O 1s 0.005501 -0.012245 -0.011007 0.005611 -0.016892 -0.006271 35O 2s 0.012099 -0.027085 -0.024508 0.014067 -0.037939 -0.012944 35O 3s 0.011788 -0.004697 -0.003352 -0.026968 -0.009911 -0.029839 35O 4s -0.281409 0.591186 0.554592 -0.105650 0.735681 0.318617 35O 5s 0.246682 -2.518928 -2.070330 0.021975 -0.888665 0.203390 35O 1pz 0.057917 0.029895 0.010370 0.007436 -0.022150 -0.019047 35O 1px 0.027948 -0.006997 -0.019831 -0.054832 -0.014810 0.045565 35O 1py 0.039810 -0.012655 0.005358 -0.024826 -0.003741 -0.002303 35O 2pz 0.145328 0.074882 0.020730 -0.008218 -0.052495 -0.127179 35O 2px 0.003767 -0.127210 -0.090728 -0.108830 -0.039413 0.200418 35O 2py 0.066359 0.001154 -0.066327 -0.036606 -0.039159 -0.027547 35O 3pz -0.902361 -0.116853 0.205292 0.312363 0.694869 0.498262 35O 3px -0.509053 -0.622675 -0.579270 0.623162 0.947103 -0.177456 35O 3py -0.327647 -0.806891 0.072064 0.268950 0.875560 0.598403 35O 1dz2 -0.002123 -0.000312 -0.001611 0.002302 0.002152 -0.002601 35O 1dxz 0.002487 -0.000040 -0.000648 -0.001879 -0.002256 -0.001088 35O 1dyz 0.001216 -0.001179 0.002437 -0.000454 0.002486 -0.004958 35O 1dx2y2 0.001451 0.005081 0.002468 -0.001123 -0.001154 0.000299 35O 1dxy -0.000149 0.007181 0.004064 -0.001581 -0.002804 -0.004971 35O 2dz2 0.047041 0.040741 0.011251 -0.014299 -0.023907 0.004868 35O 2dxz -0.013089 -0.003541 -0.036645 0.000704 -0.002024 0.021364 35O 2dyz 0.022231 -0.019157 0.011956 0.001960 -0.008602 0.004561 35O 2dx2y2 -0.002682 -0.007549 -0.021167 0.006790 0.015517 0.008697 35O 2dxy -0.006785 -0.017613 -0.035578 0.004041 0.006084 0.020808 35O 1f0 0.000203 -0.000907 0.000744 -0.000703 0.001277 0.000629 35O 1f+1 0.003252 0.003169 0.003615 -0.001351 0.000097 -0.004950 35O 1f-1 0.000451 0.002606 0.003421 -0.001587 0.002801 -0.002761 35O 1f+2 -0.001553 -0.000403 -0.000766 0.000265 -0.002463 0.001290 35O 1f-2 0.000109 0.000224 0.000772 0.000425 0.000833 -0.003826 35O 1f+3 0.001829 0.000123 0.001246 -0.000450 -0.000750 -0.002379 35O 1f-3 0.002576 0.002070 0.002418 -0.001069 -0.000836 -0.003068 264 265 266 267 268 269 0.96283 0.96709 0.96979 0.97487 0.98318 0.99998 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s -0.001011 -0.000365 -0.001014 -0.000924 -0.001029 -0.000713 0Rh 2s 0.002758 0.002995 0.002935 0.003982 0.007229 0.002044 0Rh 3s -0.004208 -0.000290 -0.004118 -0.002948 -0.001560 -0.002906 0Rh 4s -0.012187 -0.014483 -0.013067 -0.018560 -0.034700 -0.009055 0Rh 5s -0.000029 0.027365 0.002038 0.020180 0.059996 0.000415 0Rh 6s 0.072112 -0.033739 0.069228 0.020064 -0.053593 0.053410 0Rh 7s -0.337073 0.021966 -0.318860 0.443649 0.009077 -0.245167 0Rh 8s -0.218804 0.883998 -0.110652 0.248233 1.335370 -0.081320 0Rh 1pz -0.012189 0.018354 -0.013833 0.001911 0.005723 -0.008689 0Rh 1px -0.001101 -0.003033 -0.000469 -0.006385 -0.017853 -0.000114 0Rh 1py 0.011705 0.000883 -0.004405 0.011101 -0.010192 -0.005356 0Rh 2pz 0.040944 -0.062266 0.046424 -0.006569 -0.019768 0.029036 0Rh 2px 0.003827 0.010751 0.001743 0.021556 0.061256 0.000424 0Rh 2py -0.039410 -0.002916 0.014876 -0.037503 0.034753 0.017921 0Rh 3pz -0.008065 0.024558 -0.008041 0.004126 0.015298 -0.001952 0Rh 3px -0.002871 -0.014221 -0.003397 -0.005794 -0.039079 -0.000622 0Rh 3py 0.009342 -0.000542 -0.004407 0.011396 -0.017027 -0.001571 0Rh 4pz -0.185050 0.233916 -0.214345 0.019997 0.041285 -0.148163 0Rh 4px -0.012647 0.004246 0.001345 -0.096162 -0.162137 -0.001907 0Rh 4py 0.173095 0.018311 -0.061726 0.155375 -0.118122 -0.090796 0Rh 5pz 0.266289 -0.312429 0.297491 -0.034178 -0.007034 0.221458 0Rh 5px 0.043264 -0.078088 0.011403 0.173255 0.095716 0.016533 0Rh 5py -0.246316 -0.033870 0.085403 -0.223884 0.153335 0.141374 0Rh 6pz -1.734717 0.997915 -1.325348 0.451869 -0.855680 -0.863827 0Rh 6px -0.954155 1.546964 -0.405802 -1.628599 1.842519 -0.309163 0Rh 6py 1.230008 0.092411 -0.837907 1.076997 -0.466027 -0.764004 0Rh 1dz2 0.000523 -0.018214 0.007006 0.008954 -0.015723 -0.013314 0Rh 1dxz 0.000822 -0.000463 0.013173 -0.026722 -0.027531 0.020560 0Rh 1dyz -0.002164 -0.001198 0.022621 -0.015377 -0.001547 -0.032017 0Rh 1dx2y2 -0.000139 0.004689 0.002432 0.015810 0.021574 -0.006013 0Rh 1dxy -0.023130 0.015345 0.005074 0.022030 0.007079 -0.002474 0Rh 2dz2 -0.000730 0.003845 -0.000325 -0.002179 0.004142 0.004233 0Rh 2dxz -0.000009 -0.000729 -0.003014 0.004970 0.006092 -0.005020 0Rh 2dyz -0.002148 -0.001786 -0.003011 0.002666 0.001735 0.008073 0Rh 2dx2y2 -0.000858 -0.002036 -0.000819 -0.002352 -0.005356 0.001254 0Rh 2dxy 0.005131 -0.004248 -0.000307 -0.005355 -0.001815 0.000238 0Rh 3dz2 0.002051 0.021732 -0.013202 -0.009560 0.014891 0.009846 0Rh 3dxz -0.001668 0.003747 -0.014753 0.034370 0.031292 -0.021880 0Rh 3dyz 0.013758 0.010319 -0.034397 0.020787 -0.004351 0.032399 0Rh 3dx2y2 0.003972 -0.000883 -0.001642 -0.022677 -0.021748 0.007156 0Rh 3dxy 0.026519 -0.013759 -0.009317 -0.023043 -0.007076 0.003913 0Rh 4dz2 -0.012241 0.067341 -0.009525 -0.038315 0.076582 0.071819 0Rh 4dxz 0.000636 -0.006252 -0.051542 0.096601 0.114863 -0.086702 0Rh 4dyz -0.031771 -0.030784 -0.058007 0.049512 0.030000 0.146325 0Rh 4dx2y2 -0.013088 -0.035514 -0.013782 -0.051712 -0.099966 0.022961 0Rh 4dxy 0.087776 -0.076484 -0.007851 -0.096008 -0.030359 0.008599 0Rh 5dz2 0.068809 -0.092729 -0.042468 0.111317 -0.231628 -0.242906 0Rh 5dxz -0.026646 0.041804 0.096617 -0.253030 -0.287267 0.201013 0Rh 5dyz 0.231701 0.264932 0.014418 -0.062142 -0.190790 -0.481573 0Rh 5dx2y2 0.094757 0.107544 0.056165 0.144656 0.237254 -0.045072 0Rh 5dxy -0.144837 0.256022 -0.010445 0.284738 0.020763 -0.051358 0Rh 1f0 -0.011670 0.003469 -0.004992 -0.003159 0.011057 -0.004464 0Rh 1f+1 0.004996 -0.005914 -0.000303 -0.014278 -0.002749 -0.000635 0Rh 1f-1 -0.003296 -0.022135 0.008866 -0.014288 0.017886 0.009510 0Rh 1f+2 -0.011763 0.019873 -0.007208 -0.018243 0.006055 -0.006398 0Rh 1f-2 -0.007772 0.005904 0.001046 -0.018740 0.010315 0.014728 0Rh 1f+3 0.007961 -0.012244 0.004635 -0.009568 -0.003743 0.002980 0Rh 1f-3 0.010847 -0.002093 0.007057 -0.015934 -0.005059 -0.009690 1Rh 1s -0.000988 0.000366 -0.000943 0.001028 0.001093 -0.000779 1Rh 2s 0.002586 -0.003032 0.002494 -0.004261 -0.007384 0.002411 1Rh 3s -0.004181 0.000270 -0.003975 0.003381 0.001838 -0.003063 1Rh 4s -0.011359 0.014669 -0.010961 0.019788 0.035370 -0.010794 1Rh 5s -0.001547 -0.027895 -0.001359 -0.020078 -0.059668 0.002921 1Rh 6s 0.073925 0.035034 0.071650 -0.027905 0.048051 0.053042 1Rh 7s -0.353067 -0.025584 -0.337899 -0.405744 0.017825 -0.242886 1Rh 8s -0.254540 -0.893402 -0.194056 -0.235621 -1.326993 -0.052135 1Rh 1pz 0.011670 0.018350 0.014416 0.000917 0.005321 0.008211 1Rh 1px 0.000560 -0.002759 -0.000471 -0.006448 -0.017891 0.000874 1Rh 1py -0.011778 0.000617 0.004819 0.011191 -0.009956 0.005719 1Rh 2pz -0.039194 -0.062252 -0.048413 -0.003239 -0.018419 -0.027403 1Rh 2px -0.001974 0.009832 0.001479 0.021777 0.061390 -0.003024 1Rh 2py 0.039662 -0.002012 -0.016258 -0.037806 0.033958 -0.019130 1Rh 3pz 0.007551 0.024511 0.009022 0.003667 0.015087 0.001075 1Rh 3px 0.001824 -0.014054 0.001390 -0.005938 -0.039216 0.002147 1Rh 3py -0.009581 -0.000964 0.004535 0.011465 -0.016842 0.001592 1Rh 4pz 0.177712 0.234087 0.220964 0.004153 0.034991 0.142972 1Rh 4px 0.007002 0.008399 -0.010262 -0.097042 -0.162468 0.009483 1Rh 4py -0.173451 0.015233 0.068662 0.156685 -0.114587 0.097232 1Rh 5pz -0.255341 -0.313417 -0.305019 -0.011944 0.001559 -0.215397 1Rh 5px -0.037136 -0.083574 -0.003914 0.176349 0.097127 -0.023172 1Rh 5py 0.246010 -0.030936 -0.096412 -0.225432 0.148133 -0.151754 1Rh 6pz 1.686237 1.013809 1.334036 0.351569 -0.896840 0.858911 1Rh 6px 0.953926 1.561757 0.449623 -1.682347 1.810906 0.265930 1Rh 6py -1.214445 0.091028 0.900103 1.063804 -0.443468 0.857404 1Rh 1dz2 -0.000143 0.018267 0.008293 -0.009633 0.015223 -0.013246 1Rh 1dxz 0.001720 0.000369 0.014810 0.025776 0.027057 0.019083 1Rh 1dyz -0.001836 0.001017 0.023080 0.013996 0.000442 -0.032161 1Rh 1dx2y2 -0.001342 -0.005197 0.001468 -0.015551 -0.021256 -0.003976 1Rh 1dxy -0.023088 -0.016069 0.003260 -0.022095 -0.006483 -0.003403 1Rh 2dz2 -0.000562 -0.003889 -0.000595 0.002250 -0.004032 0.004256 1Rh 2dxz -0.000207 0.000785 -0.003314 -0.004770 -0.006024 -0.004716 1Rh 2dyz -0.002229 0.001677 -0.003052 -0.002443 -0.001440 0.008125 1Rh 2dx2y2 -0.000634 0.002089 -0.000615 0.002335 0.005353 0.000752 1Rh 2dxy 0.005125 0.004330 0.000161 0.005332 0.001683 0.000432 1Rh 3dz2 0.002740 -0.021650 -0.014729 0.010668 -0.014321 0.009584 1Rh 3dxz -0.002694 -0.003784 -0.016859 -0.033239 -0.030592 -0.020099 1Rh 3dyz 0.013421 -0.009468 -0.035184 -0.018850 0.005391 0.032477 1Rh 3dx2y2 0.005516 0.001717 -0.000536 0.022220 0.021096 0.005050 1Rh 3dxy 0.026455 0.014921 -0.007533 0.023276 0.006385 0.005043 1Rh 4dz2 -0.009387 -0.068103 -0.014465 0.039840 -0.074572 0.072277 1Rh 4dxz -0.002982 0.007146 -0.057549 -0.093146 -0.113609 -0.080760 1Rh 4dyz -0.033246 0.029165 -0.058777 -0.045445 -0.024728 0.147285 1Rh 4dx2y2 -0.008786 0.036632 -0.009660 0.051274 0.099770 0.013771 1Rh 4dxy 0.087653 0.078136 0.000425 0.095740 0.028177 0.012055 1Rh 5dz2 0.060470 0.096639 -0.033325 -0.109786 0.226324 -0.246744 1Rh 5dxz -0.018153 -0.045570 0.110367 0.247781 0.287564 0.183965 1Rh 5dyz 0.235385 -0.252909 0.010570 0.060452 0.172293 -0.486659 1Rh 5dx2y2 0.086609 -0.107114 0.046412 -0.146815 -0.242156 -0.018812 1Rh 5dxy -0.143876 -0.255516 -0.033548 -0.282860 -0.019121 -0.060408 1Rh 1f0 0.011532 0.003469 0.005038 -0.003522 0.010775 0.004135 1Rh 1f+1 -0.005168 -0.006027 -0.000351 -0.014037 -0.002772 0.001091 1Rh 1f-1 0.004080 -0.022085 -0.009651 -0.013928 0.017912 -0.009746 1Rh 1f+2 0.010548 0.020120 0.006836 -0.018882 0.005724 0.006063 1Rh 1f-2 0.007434 0.006119 -0.001539 -0.018804 0.009782 -0.015184 1Rh 1f+3 -0.007871 -0.012153 -0.005034 -0.009149 -0.003569 -0.002244 1Rh 1f-3 -0.011175 -0.002066 -0.008060 -0.015702 -0.004382 0.009862 2C 1s -0.001017 0.004735 0.005483 -0.001615 -0.002851 -0.007162 2C 2s -0.001969 0.010987 0.011564 -0.003034 -0.004903 -0.017166 2C 3s 0.028664 -0.013180 -0.031161 -0.025006 -0.063951 -0.070717 2C 4s -0.148657 -0.085213 -0.044233 0.166168 0.407313 0.753055 2C 5s -1.513350 -1.229743 0.032122 0.574844 -0.185234 2.380651 2C 1pz 0.072770 -0.103733 -0.077904 0.032714 0.070877 0.084870 2C 1px -0.003960 -0.093140 -0.028835 -0.000571 -0.020740 0.086532 2C 1py -0.065389 -0.040163 -0.113932 -0.020886 -0.003319 0.017690 2C 2pz 0.232710 -0.585357 -0.534552 0.204538 0.451056 0.654058 2C 2px 0.075428 -0.385547 0.230336 0.240684 0.162451 0.701088 2C 2py -0.169908 -0.211401 -0.464697 -0.026285 0.329903 0.282107 2C 3pz -0.017383 -0.561545 -0.121870 0.143920 0.334772 0.739857 2C 3px -0.144465 -0.451881 0.179755 -0.064874 0.180818 0.620706 2C 3py -0.638752 -0.303932 -0.383496 0.099649 -0.327931 0.411261 2C 1dz2 -0.005160 0.003832 -0.001342 -0.004713 -0.005830 -0.005234 2C 1dxz -0.002881 0.002563 0.006767 -0.001385 0.001965 -0.000236 2C 1dyz -0.002046 0.000617 0.005893 0.000742 -0.000995 0.002178 2C 1dx2y2 -0.001594 -0.002402 -0.001244 -0.001195 0.001495 0.004431 2C 1dxy 0.004081 -0.001822 0.007671 0.000993 0.003062 0.005535 2C 2dz2 0.311714 -0.361134 -0.273804 0.083215 0.576959 0.271216 2C 2dxz -0.140865 0.105990 -0.684635 -0.273005 0.030327 -0.541937 2C 2dyz 0.092755 -0.823767 -0.545994 0.185272 0.320085 0.766620 2C 2dx2y2 -0.159068 -0.006507 0.322588 -0.060918 -0.024020 0.224341 2C 2dxy 0.345763 -0.309797 -0.106113 0.063265 0.062711 0.204390 2C 1f0 -0.010351 -0.002653 0.004288 -0.002789 0.008292 0.009843 2C 1f+1 0.011868 -0.019588 0.000342 0.008218 0.008042 0.025496 2C 1f-1 0.007489 -0.022149 -0.024563 0.002104 0.018417 0.017392 2C 1f+2 0.004853 0.009558 -0.011129 -0.005271 -0.001949 -0.027861 2C 1f-2 -0.011033 0.018354 0.003794 -0.004526 -0.005738 -0.011162 2C 1f+3 0.000299 -0.018450 -0.030494 -0.001441 0.013167 0.003889 2C 1f-3 0.005337 -0.023037 0.004441 0.008315 0.006516 0.031580 3C 1s 0.002263 0.000036 -0.004295 -0.005736 0.001196 0.008548 3C 2s 0.003793 0.000027 -0.009548 -0.011710 0.002587 0.019893 3C 3s -0.031311 -0.013039 0.022692 -0.036521 0.006455 0.068612 3C 4s 0.108162 0.078773 0.021648 0.329623 -0.132449 -0.796749 3C 5s 0.872017 0.040071 -0.842159 1.401693 1.173046 -3.578866 3C 1pz -0.091481 -0.029657 0.020188 0.032425 0.006037 0.030442 3C 1px -0.041839 -0.038258 0.055761 0.050593 -0.088320 -0.013361 3C 1py 0.022469 -0.012712 -0.074131 -0.120592 0.004483 0.155996 3C 2pz -0.466685 -0.256146 0.169187 0.225927 -0.021868 -0.096250 3C 2px 0.177517 -0.000071 0.328846 0.513245 -0.188938 -0.255769 3C 2py 0.194892 -0.068172 -0.389690 -0.776763 0.203516 0.990642 3C 3pz -0.429521 0.024530 -0.118150 0.280845 -0.057385 -0.081693 3C 3px 0.033604 0.129980 -0.028234 0.235879 -0.195306 -0.359396 3C 3py -0.324089 0.144575 -0.004785 -0.740552 -0.437230 1.398462 3C 1dz2 -0.002383 0.002934 0.001686 0.000814 0.000950 0.000591 3C 1dxz 0.003428 0.003724 -0.003118 -0.001380 0.003821 -0.002863 3C 1dyz -0.003320 -0.001032 0.002041 0.001763 0.000522 0.002659 3C 1dx2y2 0.004390 0.006297 0.006052 0.005221 -0.000266 -0.006087 3C 1dxy -0.009620 -0.003401 0.000459 -0.000078 -0.002464 -0.004072 3C 2dz2 -0.119536 0.027528 -0.169273 -0.166774 -0.095962 0.464422 3C 2dxz -0.448928 -0.031023 -0.077156 0.020853 0.073754 -0.272060 3C 2dyz -0.009104 -0.136837 -0.551134 -0.949613 0.377853 0.730407 3C 2dx2y2 0.321017 0.188778 -0.374267 -0.484519 -0.106967 0.026604 3C 2dxy 0.587339 0.239070 -0.245392 -0.234529 0.241823 0.042628 3C 1f0 0.024513 0.012808 -0.019718 -0.025859 0.004491 0.003447 3C 1f+1 0.016822 0.006185 0.005230 0.008118 -0.010375 -0.005173 3C 1f-1 0.006723 -0.003424 -0.009970 -0.018697 0.009855 0.021019 3C 1f+2 -0.005452 -0.003691 0.008381 0.007500 -0.003367 0.007654 3C 1f-2 -0.009163 -0.000542 -0.002595 -0.007372 0.006710 0.011012 3C 1f+3 -0.005201 0.000472 0.010227 0.022005 -0.004969 -0.034975 3C 1f-3 -0.007891 -0.004030 -0.020194 -0.028989 0.011922 0.018720 4C 1s -0.008105 -0.003871 -0.001183 -0.001518 -0.002525 0.002431 4C 2s -0.021645 -0.005104 0.001815 -0.005612 -0.010516 -0.000248 4C 3s 0.119307 -0.207059 -0.300642 0.123859 0.283324 0.324593 4C 4s -0.276588 1.544166 1.807808 -0.618420 -1.502180 -1.554258 4C 5s 2.106055 0.201374 -0.799502 0.095197 0.281045 -1.048546 4C 1pz 0.019445 0.021547 -0.032642 0.007913 0.036686 0.023587 4C 1px -0.009009 0.007568 0.034162 0.049721 -0.009066 0.079209 4C 1py 0.033251 0.022737 -0.009118 0.044553 0.029142 0.004802 4C 2pz 0.367706 -0.684999 -0.599120 0.060189 0.758909 0.476306 4C 2px -0.066022 -0.471999 -0.327157 0.004409 -0.639269 0.187689 4C 2py 0.209736 -0.592762 -0.467904 0.063789 0.233261 0.378293 4C 3pz -0.930007 -0.129110 0.363578 0.479706 -0.232257 1.309962 4C 3px -0.460841 -0.403452 -1.181847 -0.279884 -1.331923 -0.290212 4C 3py -0.210137 -0.328710 0.056712 0.055188 -0.027712 0.691374 4C 1dz2 -0.003415 -0.004658 -0.002595 0.005697 0.000316 0.014516 4C 1dxz -0.003345 -0.004574 -0.009972 0.000916 0.000200 0.000299 4C 1dyz 0.000602 -0.010629 -0.000779 0.000303 0.008544 0.013682 4C 1dx2y2 -0.001193 0.003027 0.007239 -0.001399 -0.008910 -0.007066 4C 1dxy -0.001246 -0.005732 -0.003170 -0.002744 -0.007737 -0.003389 4C 2dz2 0.162967 0.062771 0.087049 -0.016128 0.112887 -0.264473 4C 2dxz 0.004018 -0.030300 -0.011056 -0.034511 -0.160690 -0.005886 4C 2dyz 0.042825 0.156525 0.094807 -0.073126 -0.144940 -0.428426 4C 2dx2y2 0.211807 -0.046810 0.139439 0.090703 0.219168 0.080262 4C 2dxy 0.020988 -0.033466 -0.075595 -0.037566 -0.365600 -0.128696 4C 1f0 0.001590 -0.004572 -0.010740 -0.000560 -0.003246 0.003578 4C 1f+1 -0.003745 -0.011215 -0.006252 0.007498 0.017130 0.026585 4C 1f-1 0.005975 -0.011304 -0.016889 0.005126 0.026289 0.013081 4C 1f+2 0.002214 0.012979 0.022951 -0.002062 0.001866 -0.012193 4C 1f-2 0.001933 -0.011285 -0.003368 0.004711 0.002961 0.015969 4C 1f+3 0.003441 0.001385 0.006579 0.003916 0.017564 0.006171 4C 1f-3 -0.001760 -0.003122 -0.005504 0.004353 0.023917 0.011070 5C 1s 0.000140 -0.002949 -0.006874 0.004370 0.005576 -0.007959 5C 2s 0.002584 -0.007762 -0.021959 0.004890 0.016298 -0.013974 5C 3s -0.171075 0.030903 0.307598 0.334642 -0.164860 -0.298728 5C 4s 1.180572 0.023211 -1.303318 -2.417439 0.495798 1.740768 5C 5s -0.763945 0.534329 2.050460 -1.061125 -1.741673 2.114029 5C 1pz -0.014076 0.044571 0.025017 -0.017166 -0.000213 -0.002285 5C 1px 0.060548 -0.014318 0.056582 0.062863 -0.016315 -0.004544 5C 1py 0.035715 -0.015267 -0.018353 0.007027 0.022424 0.035926 5C 2pz -0.200756 0.109001 0.349799 0.531284 0.043598 -0.377986 5C 2px -0.218229 -0.588987 0.296103 0.310204 -0.795157 -0.193720 5C 2py 0.375917 0.071621 -0.607784 -0.880501 0.204650 0.562099 5C 3pz 0.987200 0.265965 -0.252616 0.140801 0.813822 -1.434912 5C 3px -0.619441 -0.977370 -0.090145 -0.161320 -0.896116 -0.579391 5C 3py -0.445808 -0.615295 0.638257 -0.063499 -0.421758 1.554153 5C 1dz2 0.003722 -0.001779 0.004819 0.001902 0.006508 -0.001922 5C 1dxz -0.007623 -0.002125 0.000792 0.004135 -0.004793 -0.007811 5C 1dyz -0.008247 0.001958 -0.004697 -0.010685 -0.003462 0.011731 5C 1dx2y2 0.001437 -0.004323 -0.005074 -0.010959 0.002589 0.011649 5C 1dxy 0.004721 0.001685 -0.002130 -0.006410 0.002949 0.007811 5C 2dz2 -0.022586 -0.026138 -0.045633 0.071441 0.069110 -0.104407 5C 2dxz -0.289282 -0.194375 -0.171845 -0.132842 -0.245805 0.180076 5C 2dyz 0.096113 -0.075487 0.051751 0.211767 -0.025809 -0.562422 5C 2dx2y2 -0.033586 -0.117200 0.052272 0.023138 -0.272816 -0.052077 5C 2dxy -0.082393 0.194886 -0.047936 0.108472 0.044823 -0.179431 5C 1f0 0.002065 -0.008928 -0.006221 -0.011058 -0.004517 0.004287 5C 1f+1 -0.003309 0.009318 0.002339 0.012518 0.007992 -0.009773 5C 1f-1 0.004078 -0.002987 -0.000780 -0.000469 -0.004808 -0.001840 5C 1f+2 0.015673 0.008348 -0.007659 -0.009990 0.011358 0.011619 5C 1f-2 0.009267 0.012581 -0.011871 -0.018749 0.018746 0.019041 5C 1f+3 0.002262 0.008701 0.015632 0.030219 0.002959 -0.022129 5C 1f-3 0.012807 0.003263 -0.000730 -0.009526 0.006088 0.020868 6C 1s 0.000054 0.003233 -0.007262 -0.003924 -0.005545 -0.008443 6C 2s 0.002435 0.008568 -0.022721 -0.003594 -0.015976 -0.015086 6C 3s -0.174393 -0.039539 0.297475 -0.345958 0.151565 -0.304730 6C 4s 1.202041 0.020555 -1.209580 2.448648 -0.435537 1.822401 6C 5s -0.741359 -0.674937 2.135664 0.997495 1.727058 2.260071 6C 1pz 0.012731 0.046204 -0.024098 -0.016361 0.000892 0.002545 6C 1px -0.059047 -0.014210 -0.055804 0.067462 -0.014282 0.004652 6C 1py -0.035160 -0.016084 0.019528 0.006308 0.022167 -0.034440 6C 2pz 0.214578 0.123674 -0.314088 0.541694 0.057506 0.383662 6C 2px 0.209771 -0.574763 -0.325653 0.316158 -0.785686 0.221872 6C 2py -0.395437 0.045093 0.566949 -0.897905 0.184133 -0.579834 6C 3pz -0.961293 0.215974 0.310512 0.157488 0.848521 1.408950 6C 3px 0.613343 -0.978051 0.014613 -0.178472 -0.914936 0.616951 6C 3py 0.452117 -0.539758 -0.672616 -0.059324 -0.407887 -1.506063 6C 1dz2 0.003390 0.001686 0.004508 -0.002228 -0.006832 -0.001934 6C 1dxz -0.007510 0.002037 0.000810 -0.004019 0.004692 -0.008102 6C 1dyz -0.007871 -0.002128 -0.004009 0.011021 0.004103 0.011924 6C 1dx2y2 0.001446 0.004195 -0.004625 0.011260 -0.002255 0.011864 6C 1dxy 0.004761 -0.001750 -0.001997 0.006398 -0.002780 0.008093 6C 2dz2 -0.028923 0.032737 -0.048882 -0.071022 -0.064723 -0.110636 6C 2dxz -0.279156 0.189534 -0.149314 0.146771 0.261964 0.173454 6C 2dyz 0.094103 0.083423 0.043008 -0.215677 0.008353 -0.575623 6C 2dx2y2 -0.030139 0.117377 0.065541 -0.026299 0.272095 -0.052776 6C 2dxy -0.082941 -0.193417 -0.060596 -0.105593 -0.045778 -0.174458 6C 1f0 -0.002436 -0.009218 0.005214 -0.011405 -0.004734 -0.003989 6C 1f+1 0.003601 0.009292 -0.001272 0.012572 0.008184 0.009817 6C 1f-1 -0.004179 -0.003074 0.000513 -0.000435 -0.004704 0.001798 6C 1f+2 -0.015710 0.007900 0.007628 -0.009910 0.011075 -0.012442 6C 1f-2 -0.009189 0.012262 0.012063 -0.019114 0.018064 -0.020103 6C 1f+3 -0.001581 0.008619 -0.013940 0.031109 0.003918 0.022396 6C 1f-3 -0.012932 0.003264 0.000504 -0.009228 0.005756 -0.021725 7C 1s -0.008157 0.003438 -0.000736 0.001829 0.002860 0.002652 7C 2s -0.021509 0.003779 0.002894 0.006213 0.011186 -0.000039 7C 3s 0.105010 0.224893 -0.302234 -0.113468 -0.274571 0.345929 7C 4s -0.185088 -1.635248 1.779682 0.543514 1.444825 -1.710462 7C 5s 2.105435 -0.007497 -0.883547 -0.166619 -0.325564 -1.148429 7C 1pz -0.018933 0.020698 0.034463 0.006060 0.036011 -0.025428 7C 1px 0.009733 0.006776 -0.031797 0.052298 -0.010527 -0.081118 7C 1py -0.033254 0.020909 0.012209 0.044605 0.030493 -0.006538 7C 2pz -0.320428 -0.720110 0.592124 0.041278 0.742365 -0.515500 7C 2px 0.056993 -0.484367 0.290169 -0.009751 -0.649963 -0.175829 7C 2py -0.185635 -0.620901 0.454526 0.048619 0.222635 -0.397496 7C 3pz 0.963399 -0.011277 -0.358048 0.425361 -0.281827 -1.306852 7C 3px 0.423334 -0.425148 1.133424 -0.355939 -1.368346 0.308551 7C 3py 0.214165 -0.247752 -0.068330 0.015083 -0.041233 -0.640519 7C 1dz2 -0.003961 0.004770 -0.002549 -0.005593 0.000197 0.015412 7C 1dxz -0.003420 0.004707 -0.009770 -0.000226 0.000081 0.000735 7C 1dyz 0.000136 0.010554 -0.000538 -0.000312 -0.008314 0.013873 7C 1dx2y2 -0.001008 -0.003191 0.007189 0.001070 0.008738 -0.007658 7C 1dxy -0.001144 0.005616 -0.002569 0.002844 0.007860 -0.003477 7C 2dz2 0.165106 -0.063430 0.081300 0.007933 -0.125190 -0.270863 7C 2dxz 0.011502 0.029850 -0.005758 0.037336 0.157459 -0.019520 7C 2dyz 0.049914 -0.147215 0.090405 0.065788 0.134535 -0.444481 7C 2dx2y2 0.205749 0.048145 0.126730 -0.102502 -0.230696 0.071384 7C 2dxy 0.029942 0.039313 -0.060862 0.034888 0.365444 -0.131663 7C 1f0 -0.001348 -0.004567 0.010228 -0.001204 -0.003701 -0.003651 7C 1f+1 0.004393 -0.011406 0.006281 0.007147 0.016435 -0.027941 7C 1f-1 -0.004809 -0.012141 0.017171 0.004428 0.025855 -0.014570 7C 1f+2 -0.002501 0.013806 -0.022236 -0.000880 0.002465 0.013110 7C 1f-2 -0.001606 -0.011728 0.003060 0.004821 0.002678 -0.016597 7C 1f+3 -0.003057 0.001280 -0.005945 0.004459 0.017649 -0.007153 7C 1f-3 0.002394 -0.003245 0.006005 0.004023 0.023517 -0.012487 8C 1s 0.002346 0.000099 -0.004031 0.005834 -0.000963 0.008654 8C 2s 0.003989 0.000249 -0.008993 0.011929 -0.002032 0.020041 8C 3s -0.031650 0.009177 0.023921 0.037912 -0.004798 0.071052 8C 4s 0.109031 -0.061429 0.011151 -0.341210 0.116823 -0.810339 8C 5s 0.829171 0.083533 -0.963680 -1.388998 -1.219659 -3.605304 8C 1pz 0.092516 -0.027005 -0.020369 0.031628 0.002452 -0.028658 8C 1px 0.040567 -0.036444 -0.058121 0.052531 -0.087805 0.015819 8C 1py -0.024863 -0.015243 0.066521 -0.122019 -0.001053 -0.158375 8C 2pz 0.472709 -0.242097 -0.168484 0.224272 -0.027829 0.114961 8C 2px -0.173082 -0.000054 -0.314723 0.537897 -0.172665 0.261253 8C 2py -0.205510 -0.074777 0.351032 -0.787175 0.172511 -1.009624 8C 3pz 0.425618 0.016994 0.122199 0.268912 -0.081487 0.092098 8C 3px -0.048148 0.116252 0.037823 0.237938 -0.189157 0.365295 8C 3py 0.297377 0.170012 -0.049119 -0.746708 -0.471411 -1.423123 8C 1dz2 -0.002274 -0.003002 0.001521 -0.000781 -0.000992 0.000495 8C 1dxz 0.003531 -0.003579 -0.003316 0.001434 -0.003892 -0.002905 8C 1dyz -0.003387 0.000824 0.002000 -0.001792 -0.000377 0.002509 8C 1dx2y2 0.004358 -0.006445 0.005544 -0.005562 -0.000179 -0.005865 8C 1dxy -0.009548 0.003067 0.000630 0.000337 0.002537 -0.004244 8C 2dz2 -0.114764 -0.022912 -0.153072 0.175153 0.117291 0.468681 8C 2dxz -0.446347 0.017987 -0.085771 -0.004077 -0.068893 -0.291763 8C 2dyz 0.001318 0.145869 -0.512845 0.975080 -0.347448 0.737397 8C 2dx2y2 0.335541 -0.166601 -0.352084 0.493946 0.112262 0.048034 8C 2dxy 0.589788 -0.220251 -0.247503 0.226930 -0.243175 0.057457 8C 1f0 -0.025343 0.011787 0.019022 -0.026102 0.004347 -0.004686 8C 1f+1 -0.016393 0.005563 -0.005506 0.009406 -0.009903 0.004802 8C 1f-1 -0.006784 -0.003877 0.009010 -0.018798 0.009196 -0.021316 8C 1f+2 0.005588 -0.003136 -0.008117 0.007465 -0.003341 -0.007850 8C 1f-2 0.009268 -0.000058 0.002250 -0.007358 0.006085 -0.010562 8C 1f+3 0.005571 0.000760 -0.009218 0.022601 -0.004046 0.035692 8C 1f-3 0.007736 -0.004184 0.019015 -0.029955 0.010673 -0.018454 9C 1s -0.000786 -0.004891 0.005376 0.001361 0.002574 -0.007335 9C 2s -0.001505 -0.011275 0.011274 0.002510 0.004243 -0.017367 9C 3s 0.029958 0.016091 -0.029164 0.024839 0.064231 -0.078401 9C 4s -0.157595 0.072006 -0.050134 -0.152800 -0.394761 0.795820 9C 5s -1.593597 1.038130 0.089683 -0.470306 0.273219 2.393411 9C 1pz -0.066674 -0.106545 0.076787 0.029713 0.068957 -0.086511 9C 1px 0.002901 -0.093864 0.024467 -0.000420 -0.022405 -0.086058 9C 1py 0.066021 -0.045882 0.110305 -0.027139 -0.008462 -0.025205 9C 2pz -0.196524 -0.597089 0.528426 0.179042 0.431270 -0.680446 9C 2px -0.063922 -0.384436 -0.232832 0.262341 0.158197 -0.712433 9C 2py 0.179393 -0.238331 0.452481 -0.048433 0.313127 -0.330713 9C 3pz 0.046764 -0.523691 0.106482 0.115466 0.319855 -0.741641 9C 3px 0.141521 -0.423520 -0.207169 -0.058525 0.181176 -0.620166 9C 3py 0.656939 -0.301024 0.355502 0.061700 -0.366544 -0.464998 9C 1dz2 -0.004854 -0.004010 -0.001101 0.004920 0.005901 -0.005276 9C 1dxz -0.002820 -0.002715 0.006693 0.001178 -0.002026 -0.000018 9C 1dyz -0.002031 -0.001024 0.005789 -0.000965 0.000957 0.001842 9C 1dx2y2 -0.001698 0.002563 -0.001217 0.001202 -0.001291 0.004482 9C 1dxy 0.003903 0.001631 0.007667 -0.001503 -0.003281 0.005489 9C 2dz2 0.291032 0.383544 -0.266816 -0.079296 -0.575075 0.293935 9C 2dxz -0.132959 -0.090817 -0.670471 0.314680 -0.020504 -0.537025 9C 2dyz 0.052795 0.854751 -0.532244 -0.166855 -0.296148 0.803200 9C 2dx2y2 -0.151050 -0.014452 0.324432 0.046355 0.022041 0.205874 9C 2dxy 0.326711 0.310608 -0.099533 -0.061893 -0.065656 0.195335 9C 1f0 0.010023 -0.002423 -0.004514 -0.002634 0.008021 -0.010190 9C 1f+1 -0.010583 -0.019490 -0.000888 0.008642 0.007849 -0.025703 9C 1f-1 -0.006348 -0.023444 0.024152 0.001097 0.017842 -0.019061 9C 1f+2 -0.005416 0.008263 0.011471 -0.005661 -0.001462 0.027633 9C 1f-2 0.010048 0.018625 -0.003092 -0.004852 -0.005551 0.011263 9C 1f+3 0.000804 -0.019438 0.029754 -0.003001 0.012053 -0.004554 9C 1f-3 -0.004556 -0.024138 -0.003617 0.008991 0.006757 -0.032204 10H 1s -0.008312 -0.002978 0.008107 -0.000160 -0.015470 0.023545 10H 2s 0.189738 0.284280 -0.933211 -0.239179 0.084806 -1.014119 10H 3s 0.136384 0.132327 0.234289 0.089008 0.032306 -0.013796 10H 1pz 0.001841 0.002556 -0.058832 -0.021992 -0.006877 -0.053765 10H 1px -0.010824 -0.011024 0.068253 0.012579 -0.003513 0.060335 10H 1py 0.012597 0.004481 -0.014135 -0.010443 0.007759 -0.019300 11H 1s -0.021006 0.028680 0.001928 -0.010968 -0.014583 -0.032686 11H 2s 0.615267 -0.882767 0.150459 0.396337 0.193547 0.973675 11H 3s -0.013362 0.201799 0.067251 -0.221527 0.147995 -0.217631 11H 1pz 0.021228 -0.040450 -0.001744 0.026951 0.007991 0.046133 11H 1px 0.032714 -0.041789 0.009120 0.023030 0.010921 0.046528 11H 1py -0.014608 0.035652 -0.002059 -0.007852 -0.006631 -0.040522 12H 1s 0.017877 0.013381 0.023788 0.002366 0.002390 -0.004616 12H 2s -0.345240 -0.284400 -0.386545 -0.117508 0.210629 0.218174 12H 3s -0.069630 0.084190 -0.031687 -0.052962 -0.283482 -0.133066 12H 1pz 0.017157 0.009904 0.015487 0.008472 0.011803 -0.009828 12H 1px -0.004201 -0.001396 -0.001838 0.005882 0.012735 0.003754 12H 1py -0.004489 -0.025640 -0.021600 0.000969 0.033479 0.020102 13H 1s 0.013292 0.000727 0.004073 -0.010104 -0.018482 -0.000171 13H 2s -0.995021 -0.278297 -0.073802 -0.207481 0.278404 0.183507 13H 3s 0.175591 0.097496 0.060114 0.002913 -0.011039 0.231429 13H 1pz -0.053668 -0.023008 0.000741 -0.009812 0.015216 -0.002105 13H 1px 0.059967 0.015124 -0.000008 0.002710 -0.006704 -0.008792 13H 1py 0.044579 0.016652 0.001144 0.013587 0.010082 -0.014996 14H 1s 0.017310 0.013998 -0.012274 -0.019816 0.015674 -0.014925 14H 2s -0.238761 -0.266438 0.539710 0.469684 -0.332868 0.472491 14H 3s -0.176254 0.095671 -0.171355 -0.247101 -0.238045 0.214533 14H 1pz -0.003200 -0.012365 0.030201 0.026884 -0.012234 0.005384 14H 1px -0.003995 -0.009413 0.037187 0.044269 -0.003714 0.021366 14H 1py -0.011345 -0.008241 0.001920 -0.004412 -0.017751 -0.000566 15H 1s -0.008091 -0.001886 -0.016185 -0.027410 0.005980 0.043302 15H 2s 0.324889 0.344226 0.379340 0.697470 -0.362613 -0.927315 15H 3s 0.057479 -0.183559 -0.063965 -0.209129 0.149917 0.145673 15H 1pz -0.019372 -0.012135 -0.017315 -0.038572 0.010696 0.054930 15H 1px 0.004666 0.002288 0.006446 0.012238 -0.007202 -0.013236 15H 1py -0.003567 -0.021243 -0.025901 -0.047372 0.027814 0.039868 16H 1s 0.001460 0.003506 -0.012029 -0.007469 0.001388 0.001626 16H 2s 0.032501 0.034409 -0.000566 -0.091316 0.324359 -0.045359 16H 3s 0.070256 -0.199081 -0.025677 0.124025 -0.201115 -0.041109 16H 1pz -0.000656 -0.008854 0.008248 0.017285 -0.006268 -0.004255 16H 1px -0.033933 0.057847 -0.042024 0.025622 0.010069 -0.008229 16H 1py -0.006174 0.027624 0.001029 -0.023375 0.045368 -0.011400 17H 1s -0.004292 -0.006605 0.006920 0.002207 0.003935 -0.000623 17H 2s -0.114069 0.263726 -0.065727 -0.162468 0.312103 -0.049980 17H 3s 0.062191 -0.157858 0.086057 0.047483 -0.250234 0.064912 17H 1pz -0.007953 -0.000704 -0.000053 -0.039838 0.008765 -0.010210 17H 1px 0.015455 -0.039575 0.012500 0.029677 0.011970 -0.002132 17H 1py 0.009970 -0.003175 -0.007343 -0.021045 0.038732 -0.015963 18H 1s -0.003742 0.007300 0.007081 -0.002891 -0.004127 -0.000351 18H 2s -0.109312 -0.262850 -0.075349 0.169065 -0.307882 -0.036216 18H 3s 0.065647 0.162279 0.097781 -0.055537 0.246961 0.065195 18H 1pz 0.008087 -0.000261 -0.002380 -0.039744 0.008435 0.007490 18H 1px -0.014723 -0.041520 -0.012299 0.030969 0.012303 0.002238 18H 1py -0.009144 -0.004247 0.006377 -0.023033 0.039391 0.013301 19H 1s 0.002204 -0.002520 -0.011864 0.007629 -0.001358 0.001911 19H 2s 0.029003 -0.031414 -0.007187 0.095421 -0.324700 -0.035919 19H 3s 0.076126 0.205190 -0.014717 -0.124089 0.197400 -0.041689 19H 1pz 0.001313 -0.008501 -0.007559 0.017422 -0.006789 0.005742 19H 1px 0.031595 0.056940 0.045313 0.024008 0.008250 0.008046 19H 1py 0.006457 0.028462 -0.000100 -0.022412 0.044494 0.008174 20H 1s -0.007439 0.002086 -0.014450 0.028010 -0.003953 0.043469 20H 2s 0.322070 -0.344512 0.340162 -0.719433 0.320976 -0.923693 20H 3s 0.055794 0.181819 -0.052194 0.209855 -0.145009 0.138856 20H 1pz 0.018949 -0.011902 0.015144 -0.039615 0.008508 -0.055076 20H 1px -0.004708 0.002726 -0.006164 0.013122 -0.006588 0.014094 20H 1py 0.003283 -0.021654 0.023498 -0.048472 0.025821 -0.039157 21H 1s 0.017351 -0.013420 -0.012516 0.020000 -0.016045 -0.013952 21H 2s -0.243790 0.245896 0.546967 -0.494386 0.338640 0.463636 21H 3s -0.157506 -0.097018 -0.152601 0.259167 0.252343 0.214199 21H 1pz 0.003952 -0.011233 -0.029886 0.028454 -0.011325 -0.004935 21H 1px 0.004867 -0.008148 -0.035900 0.045916 -0.003425 -0.020877 21H 1py 0.010784 -0.008071 -0.003195 -0.004385 -0.018099 0.001020 22H 1s 0.013725 -0.000437 0.005335 0.009524 0.018102 0.000752 22H 2s -1.000549 0.245128 -0.071999 0.241983 -0.251327 0.160813 22H 3s 0.175959 -0.095609 0.063020 -0.012933 0.012126 0.236666 22H 1pz 0.053866 -0.020953 -0.000626 -0.011659 0.014237 0.003430 22H 1px -0.060297 0.013426 0.000024 0.004547 -0.005496 0.007325 22H 1py -0.044419 0.015325 0.000047 0.015019 0.011164 0.013660 23H 1s 0.018100 -0.014464 0.022725 -0.003504 -0.003530 -0.006475 23H 2s -0.340297 0.323003 -0.367203 0.130044 -0.192079 0.261475 23H 3s -0.059046 -0.080445 -0.023812 0.052575 0.284853 -0.126482 23H 1pz -0.016838 0.010549 -0.014133 0.009211 0.012605 0.010726 23H 1px 0.004589 -0.002401 0.001933 0.005782 0.011886 -0.005531 23H 1py 0.004971 -0.028292 0.020825 0.000923 0.033037 -0.022503 24H 1s -0.019459 -0.028612 0.001827 0.011599 0.014490 -0.031780 24H 2s 0.577711 0.885556 0.153751 -0.423852 -0.195529 0.964261 24H 3s 0.006058 -0.202120 0.067461 0.221101 -0.158185 -0.222378 24H 1pz -0.018414 -0.040999 0.001946 0.027923 0.007311 -0.046092 24H 1px -0.030809 -0.042466 -0.009338 0.024951 0.011498 -0.046852 24H 1py 0.013016 0.034721 0.002488 -0.007831 -0.005937 0.039670 25H 1s -0.007241 0.002692 0.008246 -0.000560 0.015764 0.022396 25H 2s 0.183498 -0.250423 -0.933755 0.293475 -0.079231 -1.008992 25H 3s 0.140213 -0.120685 0.220506 -0.107631 -0.041452 -0.009902 25H 1pz -0.002098 0.001081 0.057999 -0.025255 -0.007475 0.053989 25H 1px 0.010267 -0.008849 -0.067869 0.016448 -0.002856 -0.060161 25H 1py -0.012334 0.003788 0.013475 -0.011182 0.007852 0.019304 26O 1s -0.002776 0.006083 0.012592 0.007549 0.000527 0.000964 26O 2s -0.005995 0.013572 0.026550 0.017028 0.001255 0.002609 26O 3s -0.004654 0.004248 0.040396 0.000914 -0.010889 -0.010169 26O 4s 0.154472 -0.306538 -0.690987 -0.358570 -0.071024 -0.039014 26O 5s -0.567548 1.321584 1.339087 0.921855 1.472544 -0.014814 26O 1pz -0.001697 0.018962 0.039491 0.019748 0.030945 0.028371 26O 1px 0.019603 -0.049475 0.021352 0.019756 0.017764 0.046535 26O 1py 0.051097 0.001855 0.057505 0.018219 0.060825 0.035787 26O 2pz -0.028893 0.107409 0.043896 0.033526 0.045858 -0.002844 26O 2px 0.050700 -0.113102 0.078391 -0.019972 -0.078501 0.037838 26O 2py 0.131692 0.011790 0.122847 0.047379 0.068112 0.026726 26O 3pz 0.038327 -0.257456 -0.281542 0.019533 -0.308460 0.025544 26O 3px -0.094695 -0.142054 -0.593431 0.043577 -1.155339 -0.202099 26O 3py -0.501696 -0.059226 -0.490332 -0.121683 -0.547475 -0.043898 26O 1dz2 -0.000671 0.003155 0.003574 -0.000962 0.002937 -0.001479 26O 1dxz -0.001391 0.001676 0.000801 -0.001616 -0.004220 -0.001708 26O 1dyz 0.001621 0.001032 0.002748 -0.000210 -0.003199 -0.003137 26O 1dx2y2 -0.001532 -0.002022 -0.006382 -0.002154 -0.006007 -0.000586 26O 1dxy 0.001889 -0.000948 -0.000353 -0.000619 -0.002375 -0.000852 26O 2dz2 0.005729 -0.003928 -0.027027 -0.007231 -0.022628 -0.043564 26O 2dxz 0.001049 0.012133 0.013157 -0.009916 0.024796 0.021408 26O 2dyz -0.010530 0.036454 -0.055534 0.019578 -0.024668 -0.050246 26O 2dx2y2 0.005489 0.027395 -0.019232 -0.003019 0.036976 -0.016524 26O 2dxy 0.004066 0.035339 -0.019142 0.021562 0.053199 -0.001560 26O 1f0 0.000733 -0.000137 0.000206 0.000435 0.001299 0.000251 26O 1f+1 -0.000608 0.002383 -0.001697 0.001638 0.003301 0.002808 26O 1f-1 -0.001091 0.002674 -0.002022 0.001467 0.001909 0.000575 26O 1f+2 0.000240 -0.000888 -0.000339 -0.001750 -0.001561 -0.001609 26O 1f-2 -0.000303 0.001577 -0.000460 0.000760 0.001060 0.000261 26O 1f+3 0.001511 0.001378 -0.001052 0.001523 0.003902 0.000015 26O 1f-3 -0.000194 0.002061 -0.002203 0.001090 0.003198 0.002611 27O 1s 0.007247 0.012079 -0.003674 -0.001153 0.005011 0.003563 27O 2s 0.015693 0.026971 -0.007766 -0.002374 0.010920 0.006727 27O 3s 0.016145 0.004999 -0.012433 -0.010354 0.005963 0.029288 27O 4s -0.347546 -0.613136 0.216938 0.063084 -0.331001 -0.210885 27O 5s 0.346611 2.152364 -0.746778 0.146388 2.193791 0.037259 27O 1pz 0.048905 0.010991 -0.001353 0.010412 0.036689 -0.032710 27O 1px 0.054704 -0.004828 0.044772 0.076864 -0.009860 -0.002169 27O 1py -0.033830 -0.010102 -0.008331 -0.024652 -0.014567 -0.005947 27O 2pz 0.080644 0.045522 -0.027100 0.008495 0.119977 -0.107656 27O 2px 0.139749 -0.073286 0.054495 0.065389 -0.082579 0.066451 27O 2py -0.031923 0.003856 0.025315 -0.008355 -0.064255 -0.035348 27O 3pz -0.079206 0.110438 0.269075 -0.077689 -0.106682 0.269732 27O 3px -0.532338 -0.592173 0.168707 -0.594403 -0.998884 0.072808 27O 3py 0.382108 -0.135375 -0.033778 0.284786 0.585349 0.119016 27O 1dz2 0.000257 0.004972 -0.002763 0.001817 0.003898 -0.002104 27O 1dxz 0.005850 0.003128 -0.000047 -0.000398 0.003760 -0.001252 27O 1dyz -0.002010 0.000804 -0.000478 0.000396 -0.000883 -0.004131 27O 1dx2y2 -0.002786 -0.003265 0.002881 0.000526 -0.005079 -0.002451 27O 1dxy 0.001400 0.002752 0.002356 0.004839 0.005782 -0.004066 27O 2dz2 0.021588 -0.019598 -0.007048 -0.011197 -0.037421 -0.000465 27O 2dxz 0.012750 0.024324 0.003551 -0.005233 0.006753 -0.011501 27O 2dyz 0.071626 -0.001883 0.012279 0.021195 -0.002814 -0.012403 27O 2dx2y2 0.011342 0.020759 0.013288 0.014232 0.018336 -0.019217 27O 2dxy 0.012187 -0.021669 0.007223 0.017574 -0.018455 0.017504 27O 1f0 0.000682 -0.002707 -0.000177 0.000104 -0.002011 0.001643 27O 1f+1 -0.000713 0.000803 0.001994 0.000565 0.000725 -0.001967 27O 1f-1 -0.000243 -0.000453 -0.000674 0.000080 -0.000128 0.000077 27O 1f+2 0.001161 -0.000510 0.001016 0.000681 0.000118 -0.000666 27O 1f-2 -0.000759 -0.002556 -0.000390 -0.000080 -0.002271 0.002734 27O 1f+3 -0.002721 0.002600 0.000546 0.000572 0.001092 -0.003623 27O 1f-3 -0.000809 -0.001159 -0.002275 -0.002099 -0.001064 0.000478 28O 1s -0.002733 0.013902 0.002454 0.000893 -0.007797 -0.003749 28O 2s -0.006167 0.029635 0.005995 0.003254 -0.016943 -0.006911 28O 3s 0.000172 0.039082 -0.000471 -0.022961 -0.013088 -0.032173 28O 4s 0.138477 -0.756554 -0.092352 0.048402 0.464671 0.205256 28O 5s -0.628627 1.211886 -0.247571 -0.161489 -2.164333 0.044764 28O 1pz -0.000089 -0.042490 -0.056124 -0.049085 -0.015118 -0.025172 28O 1px -0.014060 0.031839 0.031399 0.013962 -0.018897 0.035725 28O 1py -0.008436 -0.015628 -0.027350 -0.018607 -0.018199 -0.009853 28O 2pz -0.010135 -0.066006 -0.084284 -0.089427 -0.006339 -0.100879 28O 2px -0.030708 0.025929 0.021716 0.001337 -0.095280 0.155002 28O 2py -0.043829 -0.039313 -0.058492 -0.039118 -0.030827 -0.013880 28O 3pz 0.445264 0.861017 1.089422 0.394253 0.602834 0.652812 28O 3px -0.411193 -0.279849 -0.426367 0.130099 -0.570773 -0.248370 28O 3py 0.336460 0.479378 0.425146 0.150984 -0.095426 0.273095 28O 1dz2 0.001722 0.002351 0.004247 0.000977 0.004970 -0.001730 28O 1dxz -0.002282 -0.001445 -0.004918 -0.001522 -0.006373 -0.003058 28O 1dyz 0.000464 -0.001348 0.000076 0.000404 0.000518 -0.005953 28O 1dx2y2 0.005489 -0.000855 0.000245 -0.001104 0.004343 0.000777 28O 1dxy 0.000531 -0.001529 -0.002093 -0.001487 0.001249 -0.002610 28O 2dz2 0.014680 0.016839 0.035102 0.013305 0.005671 0.013188 28O 2dxz 0.023117 0.011855 0.036948 -0.011146 0.031766 -0.019016 28O 2dyz 0.006051 0.010795 0.042881 0.019696 -0.019297 0.042873 28O 2dx2y2 0.019734 -0.028239 -0.003418 0.009739 0.016409 0.002667 28O 2dxy 0.012054 0.000469 0.019023 -0.010331 0.030680 0.004569 28O 1f0 -0.000862 -0.000431 -0.001043 0.001279 -0.000194 0.003262 28O 1f+1 0.001136 0.000069 -0.002637 -0.000156 -0.000978 -0.001988 28O 1f-1 -0.001120 0.003581 -0.000665 -0.000280 -0.003283 0.001862 28O 1f+2 0.000385 -0.001182 0.002667 -0.001055 0.001407 -0.003681 28O 1f-2 -0.000091 0.001087 -0.000839 -0.000943 -0.000796 -0.001008 28O 1f+3 -0.001090 0.000929 -0.000166 -0.001870 -0.002621 -0.002842 28O 1f-3 0.000108 0.001035 -0.000827 -0.001260 -0.000640 -0.000124 29O 1s -0.000520 -0.002822 0.000349 0.009838 -0.003849 0.000988 29O 2s -0.002312 -0.004092 -0.000192 0.022389 -0.003465 0.001609 29O 3s 0.019137 -0.039043 0.016526 -0.001659 -0.093791 0.010020 29O 4s -0.069038 0.344809 -0.091707 -0.419863 0.690999 -0.099411 29O 5s 0.164436 -0.899359 0.190025 0.932894 -1.787443 0.250101 29O 1pz 0.010586 -0.008793 0.009069 -0.013102 -0.006210 0.008670 29O 1px 0.000458 0.002963 0.000676 0.055586 0.031777 -0.002482 29O 1py -0.004272 0.006414 -0.000034 -0.013665 0.024856 0.000393 29O 2pz -0.024455 0.033931 0.020945 -0.031224 0.042266 -0.003268 29O 2px 0.018564 -0.068265 0.034825 0.110555 -0.094940 0.022126 29O 2py -0.003832 0.041459 -0.015093 0.009260 0.041503 -0.010658 29O 3pz 0.267592 -0.392141 0.063776 0.192980 -0.160638 0.038526 29O 3px -0.006382 0.263583 -0.069114 -0.390092 0.551303 -0.071434 29O 3py -0.090927 0.031204 0.055800 -0.200359 0.176916 0.031154 29O 1dz2 -0.000373 0.000596 -0.001263 -0.002797 0.001686 -0.001161 29O 1dxz 0.000778 -0.001093 0.001549 -0.002351 0.000014 0.000711 29O 1dyz 0.002215 -0.002215 -0.000002 0.001080 -0.000480 0.000132 29O 1dx2y2 0.001287 0.001034 0.000424 0.000957 0.003448 -0.000193 29O 1dxy -0.000180 -0.001237 0.000829 -0.000730 -0.000150 0.000932 29O 2dz2 -0.013922 0.029511 -0.004171 -0.045693 -0.001940 0.003116 29O 2dxz 0.049044 -0.093457 0.035398 -0.003597 -0.031974 0.001852 29O 2dyz 0.008668 -0.014001 -0.015275 0.027788 -0.019054 -0.005520 29O 2dx2y2 -0.015386 0.014881 -0.018964 0.020378 0.092211 -0.024583 29O 2dxy 0.013141 -0.015281 0.012371 -0.056866 0.020710 -0.010591 29O 1f0 -0.000154 0.001082 0.000117 -0.000094 0.001386 -0.000847 29O 1f+1 0.000369 -0.002206 0.000372 0.000925 -0.000558 -0.000081 29O 1f-1 -0.000197 0.000044 0.001228 -0.000279 0.001087 -0.000698 29O 1f+2 -0.000974 0.001152 -0.000282 -0.000357 -0.000573 0.000770 29O 1f-2 0.000906 0.001319 -0.001034 -0.000989 0.000800 0.000208 29O 1f+3 -0.000633 -0.001046 0.000000 0.001485 -0.000063 -0.000106 29O 1f-3 0.000205 -0.000102 -0.000132 0.000586 0.000666 -0.001261 30O 1s 0.002585 -0.000501 -0.005194 -0.011781 0.005584 0.003900 30O 2s 0.006299 0.000088 -0.010958 -0.025085 0.011811 0.007470 30O 3s -0.002341 -0.016710 -0.016581 -0.034567 0.023110 0.029913 30O 4s -0.127590 0.139637 0.269391 0.647672 -0.300372 -0.237750 30O 5s 0.104739 -1.293850 -0.521786 -1.194993 -0.288057 0.222856 30O 1pz -0.041511 -0.016030 0.005303 -0.016811 -0.033586 0.002998 30O 1px 0.037129 -0.002814 -0.003007 -0.022710 -0.011601 -0.007819 30O 1py 0.062709 0.030390 0.008620 0.008373 0.061735 0.005381 30O 2pz -0.075462 0.004787 0.004807 -0.015885 -0.041398 0.047166 30O 2px 0.059541 -0.057234 0.013696 -0.049848 -0.100837 -0.075224 30O 2py 0.121461 0.023913 0.030826 0.030565 0.078553 -0.016334 30O 3pz 0.530838 0.506049 -0.083079 -0.399425 0.541683 -0.123702 30O 3px -0.351225 -0.545358 -0.140837 0.195598 -0.301549 0.050189 30O 3py -1.254796 -0.676055 -0.312818 0.351898 -0.861858 0.065899 30O 1dz2 -0.000955 0.000567 -0.001605 -0.000425 -0.002911 0.000089 30O 1dxz -0.001321 -0.003384 -0.000988 0.000153 -0.001916 0.001763 30O 1dyz -0.000041 -0.004785 0.000205 -0.001206 -0.000313 -0.005619 30O 1dx2y2 -0.002667 0.000370 0.002026 0.000784 -0.001920 -0.000912 30O 1dxy 0.006670 0.003417 0.002298 0.000028 0.004465 -0.002550 30O 2dz2 -0.041279 -0.012615 -0.029388 -0.004695 -0.032374 -0.000749 30O 2dxz 0.005113 -0.002620 -0.007955 -0.007223 0.027503 0.026464 30O 2dyz -0.026682 -0.017978 -0.013246 0.007978 0.040406 -0.005327 30O 2dx2y2 -0.040225 -0.008567 -0.001419 0.018034 -0.035422 0.018010 30O 2dxy -0.036882 -0.032895 -0.004454 0.002648 -0.036457 -0.014513 30O 1f0 -0.000228 0.000955 0.001475 0.003640 -0.001254 -0.001070 30O 1f+1 -0.000793 -0.001108 -0.001083 -0.001273 0.000046 -0.000844 30O 1f-1 -0.000168 0.000075 0.000443 0.000691 0.000865 0.000598 30O 1f+2 -0.001475 0.000574 -0.001247 0.001676 0.001012 0.003816 30O 1f-2 0.002564 0.001206 -0.000636 0.001702 0.002428 0.001544 30O 1f+3 -0.001581 -0.000811 -0.000543 -0.003808 0.000611 -0.000489 30O 1f-3 0.001087 -0.000388 -0.001368 0.000300 0.002884 0.003044 31O 1s 0.002962 0.000700 -0.004549 0.012045 -0.005588 0.003995 31O 2s 0.007158 0.000390 -0.009583 0.025642 -0.011868 0.007738 31O 3s -0.002399 0.016341 -0.015198 0.035284 -0.022197 0.029329 31O 4s -0.145224 -0.147383 0.232388 -0.660056 0.299741 -0.234539 31O 5s 0.164321 1.307140 -0.377259 1.222595 0.281611 0.134519 31O 1pz 0.040466 -0.015019 -0.006670 -0.017075 -0.034191 -0.001282 31O 1px -0.037529 -0.003724 0.001166 -0.022283 -0.010731 0.007866 31O 1py -0.061872 0.029203 -0.005661 0.009711 0.063849 -0.007263 31O 2pz 0.074430 0.006412 -0.005236 -0.016730 -0.044319 -0.045357 31O 2px -0.062512 -0.059357 -0.022455 -0.047351 -0.097771 0.079665 31O 2py -0.119639 0.021843 -0.026513 0.033665 0.085256 0.014065 31O 3pz -0.528750 0.502640 0.097247 -0.391945 0.557630 0.069995 31O 3px 0.336858 -0.542681 0.116538 0.176065 -0.304367 -0.017895 31O 3py 1.239446 -0.657616 0.277009 0.310697 -0.910832 -0.010618 31O 1dz2 -0.000729 -0.000518 -0.001427 0.000547 0.002946 0.000143 31O 1dxz -0.001262 0.003466 -0.000751 -0.000081 0.002041 0.001534 31O 1dyz -0.000000 0.004830 0.000400 0.001215 0.000188 -0.005925 31O 1dx2y2 -0.002664 -0.000497 0.002010 -0.000839 0.001942 -0.000978 31O 1dxy 0.006480 -0.003290 0.002008 -0.000292 -0.004702 -0.002299 31O 2dz2 -0.040838 0.012901 -0.027496 0.006963 0.034375 -0.001083 31O 2dxz 0.003762 0.003096 -0.008327 0.006774 -0.026216 0.027431 31O 2dyz -0.028313 0.017499 -0.015265 -0.006380 -0.039754 -0.005538 31O 2dx2y2 -0.040288 0.007570 -0.000732 -0.017082 0.036628 0.017278 31O 2dxy -0.036786 0.032756 -0.002299 -0.001341 0.036481 -0.015927 31O 1f0 0.000285 0.000970 -0.001317 0.003723 -0.001142 0.001112 31O 1f+1 0.000834 -0.001153 0.000983 -0.001322 -0.000011 0.000843 31O 1f-1 0.000200 0.000085 -0.000364 0.000707 0.000856 -0.000593 31O 1f+2 0.001550 0.000629 0.001409 0.001584 0.000867 -0.003851 31O 1f-2 -0.002469 0.001159 0.000876 0.001726 0.002407 -0.001582 31O 1f+3 0.001488 -0.000744 0.000403 -0.003901 0.000589 0.000545 31O 1f-3 -0.000966 -0.000391 0.001490 0.000237 0.002787 -0.003115 32O 1s -0.000668 0.002770 0.000195 -0.009910 0.003871 0.000998 32O 2s -0.002718 0.004009 -0.000769 -0.022466 0.003585 0.001826 32O 3s 0.020335 0.038283 0.020510 0.000301 0.092617 0.006463 32O 4s -0.069513 -0.339488 -0.107282 0.430205 -0.686103 -0.080020 32O 5s 0.171286 0.890951 0.236412 -0.959571 1.775450 0.198709 32O 1pz -0.010639 -0.009426 -0.010022 -0.011843 -0.006222 -0.008281 32O 1px 0.001940 0.003101 0.002288 0.055405 0.031301 -0.000071 32O 1py 0.004966 0.006683 0.000309 -0.014033 0.024710 -0.001901 32O 2pz 0.024471 0.033656 -0.020300 -0.030416 0.040458 0.002054 32O 2px -0.017486 -0.068928 -0.035924 0.114039 -0.094001 -0.021597 32O 2py 0.005694 0.043011 0.017958 0.007702 0.040819 0.010640 32O 3pz -0.263140 -0.398280 -0.072589 0.200713 -0.153319 -0.030784 32O 3px 0.014798 0.269854 0.082963 -0.400211 0.546113 0.067668 32O 3py 0.082142 0.022108 -0.060470 -0.199260 0.177050 -0.043616 32O 1dz2 -0.000388 -0.000653 -0.001218 0.002959 -0.001680 -0.001070 32O 1dxz 0.000753 0.001076 0.001680 0.002264 -0.000088 0.000742 32O 1dyz 0.002162 0.002261 0.000026 -0.000953 0.000254 0.000036 32O 1dx2y2 0.001168 -0.001095 0.000235 -0.000973 -0.003480 -0.000047 32O 1dxy -0.000246 0.001171 0.000924 0.000766 0.000092 0.000945 32O 2dz2 -0.012141 -0.029368 -0.001269 0.045854 0.001784 0.005595 32O 2dxz 0.047528 0.094566 0.039788 -0.000089 0.029588 0.000799 32O 2dyz 0.008755 0.014332 -0.016522 -0.025866 0.017369 -0.008799 32O 2dx2y2 -0.018130 -0.015202 -0.022193 -0.018515 -0.091041 -0.020599 32O 2dxy 0.012279 0.015765 0.016154 0.057237 -0.022214 -0.006941 32O 1f0 0.000184 0.001122 -0.000008 -0.000111 0.001281 0.000781 32O 1f+1 -0.000316 -0.002316 -0.000437 0.000983 -0.000591 0.000100 32O 1f-1 0.000304 0.000258 -0.001198 -0.000320 0.001159 0.000677 32O 1f+2 0.000904 0.001118 0.000327 -0.000299 -0.000624 -0.000777 32O 1f-2 -0.000873 0.001339 0.001049 -0.001087 0.000733 -0.000285 32O 1f+3 0.000633 -0.001060 0.000035 0.001461 -0.000069 0.000097 32O 1f-3 -0.000187 -0.000158 0.000138 0.000596 0.000715 0.001206 33O 1s -0.002171 -0.013896 0.002212 -0.001003 0.007648 -0.003764 33O 2s -0.004961 -0.029675 0.005447 -0.003502 0.016630 -0.006920 33O 3s 0.001422 -0.038331 -0.000764 0.022531 0.012412 -0.032791 33O 4s 0.107745 0.751763 -0.083640 -0.041786 -0.457569 0.206904 33O 5s -0.523819 -1.178529 -0.202085 0.173056 2.171906 0.053542 33O 1pz -0.000461 -0.042772 0.052718 -0.052508 -0.015519 0.026633 33O 1px 0.012542 0.032502 -0.029861 0.015510 -0.019381 -0.034998 33O 1py 0.007495 -0.015053 0.025362 -0.020561 -0.018225 0.010821 33O 2pz 0.008661 -0.064535 0.078909 -0.095897 -0.006432 0.101558 33O 2px 0.025047 0.025396 -0.023962 0.001813 -0.097962 -0.155216 33O 2py 0.040291 -0.037355 0.054592 -0.044124 -0.031695 0.016538 33O 3pz -0.423432 0.862139 -1.010859 0.467589 0.622640 -0.623301 33O 3px 0.401391 -0.282087 0.394852 0.102537 -0.580971 0.242458 33O 3py -0.332684 0.474240 -0.409472 0.191975 -0.087899 -0.287115 33O 1dz2 0.001696 -0.002440 0.003969 -0.001194 -0.005178 -0.001726 33O 1dxz -0.002045 0.001485 -0.004513 0.001815 0.006460 -0.002997 33O 1dyz 0.000508 0.001374 0.000109 -0.000466 -0.000661 -0.005835 33O 1dx2y2 0.005312 0.000986 0.000187 0.000982 -0.004458 0.000760 33O 1dxy 0.000483 0.001715 -0.002085 0.001646 -0.001275 -0.002721 33O 2dz2 0.015348 -0.017789 0.033827 -0.014663 -0.007142 0.012106 33O 2dxz 0.022285 -0.012367 0.035577 0.009089 -0.033584 -0.019118 33O 2dyz 0.006711 -0.010469 0.042479 -0.022619 0.019202 0.043503 33O 2dx2y2 0.019387 0.029497 -0.002901 -0.010070 -0.017283 0.003439 33O 2dxy 0.011810 0.000489 0.018434 0.008972 -0.031469 0.005420 33O 1f0 0.000878 -0.000450 0.001041 0.001199 -0.000286 -0.003346 33O 1f+1 -0.001188 0.000004 0.002564 -0.000305 -0.000955 0.002076 33O 1f-1 0.000928 0.003649 0.000679 -0.000375 -0.003372 -0.001706 33O 1f+2 -0.000292 -0.001098 -0.002674 -0.000899 0.001530 0.003770 33O 1f-2 0.000049 0.001038 0.000839 -0.001001 -0.000812 0.001065 33O 1f+3 0.001039 0.000975 0.000095 -0.001914 -0.002650 0.002977 33O 1f-3 -0.000149 0.001052 0.000829 -0.001354 -0.000669 0.000200 34O 1s 0.007486 -0.011606 -0.003942 0.001067 -0.005106 0.003892 34O 2s 0.016210 -0.025962 -0.008358 0.002193 -0.011124 0.007455 34O 3s 0.016850 -0.003788 -0.012278 0.010170 -0.006137 0.029755 34O 4s -0.360636 0.586316 0.233785 -0.059459 0.337787 -0.228285 34O 5s 0.355437 -2.083892 -0.869400 -0.132628 -2.205791 0.074667 34O 1pz -0.047203 0.009821 0.003518 0.011697 0.038399 0.031529 34O 1px -0.052451 -0.004417 -0.041624 0.081047 -0.008075 0.002615 34O 1py 0.032992 -0.009138 0.006386 -0.026835 -0.014419 0.007622 34O 2pz -0.077472 0.043416 0.033943 0.009371 0.122712 0.106559 34O 2px -0.138286 -0.071343 -0.055452 0.072014 -0.081030 -0.064210 34O 2py 0.030145 0.005618 -0.027313 -0.009791 -0.060276 0.038831 34O 3pz 0.073758 0.108686 -0.280924 -0.068679 -0.101081 -0.279576 34O 3px 0.505322 -0.581363 -0.251441 -0.605610 -1.002970 -0.093474 34O 3py -0.359079 -0.144821 0.067790 0.298962 0.573049 -0.114216 34O 1dz2 0.000254 -0.004856 -0.003121 -0.001729 -0.003857 -0.002109 34O 1dxz 0.005781 -0.002958 -0.000279 0.000277 -0.003940 -0.001262 34O 1dyz -0.001988 -0.000767 -0.000462 -0.000310 0.000846 -0.004106 34O 1dx2y2 -0.002730 0.003120 0.003116 -0.000559 0.005012 -0.002485 34O 1dxy 0.001232 -0.002702 0.001837 -0.004971 -0.005952 -0.004037 34O 2dz2 0.022350 0.020434 -0.005223 0.010890 0.037762 -0.001674 34O 2dxz 0.013160 -0.023814 0.002816 0.004596 -0.007149 -0.011280 34O 2dyz 0.070655 0.003551 0.011109 -0.024033 0.000557 -0.012460 34O 2dx2y2 0.010404 -0.020369 0.011338 -0.015246 -0.018977 -0.019465 34O 2dxy 0.011992 0.021670 0.006983 -0.018278 0.018070 0.016132 34O 1f0 -0.000692 -0.002731 0.000040 0.000128 -0.002050 -0.001613 34O 1f+1 0.000738 0.000837 -0.001928 0.000658 0.000828 0.001979 34O 1f-1 0.000240 -0.000459 0.000661 0.000043 -0.000133 -0.000085 34O 1f+2 -0.001147 -0.000537 -0.000955 0.000754 0.000233 0.000772 34O 1f-2 0.000741 -0.002503 0.000260 -0.000132 -0.002327 -0.002642 34O 1f+3 0.002742 0.002584 -0.000495 0.000571 0.001088 0.003500 34O 1f-3 0.000730 -0.001204 0.002128 -0.002226 -0.001142 -0.000466 35O 1s -0.002611 -0.006463 0.012235 -0.008300 -0.000818 0.001220 35O 2s -0.005647 -0.014368 0.025718 -0.018620 -0.001831 0.003179 35O 3s -0.003918 -0.005541 0.041039 -0.003164 0.009124 -0.010444 35O 4s 0.146105 0.329259 -0.675898 0.398989 0.090202 -0.056018 35O 5s -0.574762 -1.386070 1.263096 -0.988225 -1.506351 0.094460 35O 1pz 0.003443 0.020322 -0.037069 0.021022 0.030865 -0.030162 35O 1px -0.016689 -0.051246 -0.021532 0.021299 0.018183 -0.048626 35O 1py -0.049316 0.002393 -0.054376 0.021499 0.063057 -0.036134 35O 2pz 0.031262 0.111230 -0.037564 0.031887 0.044534 -0.001255 35O 2px -0.048932 -0.117303 -0.083584 -0.014245 -0.075795 -0.036783 35O 2py -0.128579 0.014220 -0.117378 0.053640 0.073896 -0.023277 35O 3pz -0.059598 -0.270064 0.264100 0.027216 -0.307663 -0.011423 35O 3px 0.062132 -0.140079 0.567148 0.018238 -1.168310 0.269929 35O 3py 0.474650 -0.071685 0.474006 -0.143954 -0.567499 0.062509 35O 1dz2 -0.000675 -0.003222 0.003484 0.000804 -0.003057 -0.001296 35O 1dxz -0.001190 -0.001746 0.000944 0.001549 0.004224 -0.001751 35O 1dyz 0.001631 -0.000976 0.002736 0.000013 0.003031 -0.003326 35O 1dx2y2 -0.001364 0.002205 -0.006009 0.002416 0.006214 -0.000612 35O 1dxy 0.001969 0.001040 -0.000375 0.000609 0.002287 -0.001292 35O 2dz2 0.007146 0.003962 -0.026158 0.008503 0.021731 -0.045983 35O 2dxz 0.002044 -0.012578 0.012543 0.009219 -0.024795 0.022721 35O 2dyz -0.010207 -0.035413 -0.056654 -0.016217 0.025688 -0.049980 35O 2dx2y2 0.005481 -0.026420 -0.020752 0.003425 -0.036729 -0.014520 35O 2dxy 0.003532 -0.034849 -0.022900 -0.020498 -0.052668 -0.000125 35O 1f0 -0.000756 -0.000182 -0.000143 0.000482 0.001322 -0.000201 35O 1f+1 0.000642 0.002347 0.001925 0.001513 0.003179 -0.003035 35O 1f-1 0.001039 0.002654 0.002210 0.001338 0.001777 -0.000745 35O 1f+2 -0.000230 -0.000935 0.000202 -0.001744 -0.001529 0.001645 35O 1f-2 0.000271 0.001666 0.000547 0.000685 0.001027 -0.000325 35O 1f+3 -0.001458 0.001350 0.001262 0.001462 0.003930 -0.000051 35O 1f-3 0.000222 0.001968 0.002343 0.001009 0.003101 -0.002889 270 271 272 273 274 275 1.00619 1.01342 1.02408 1.02858 1.03608 1.03992 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s -0.000733 -0.001025 0.001690 -0.001236 0.003549 0.000948 0Rh 2s 0.003542 0.003736 -0.005282 0.005755 -0.008462 -0.003566 0Rh 3s -0.002100 -0.003691 0.006623 -0.003680 0.015523 0.003345 0Rh 4s -0.016607 -0.017122 0.023775 -0.026944 0.036255 0.016371 0Rh 5s 0.020248 0.012105 -0.007968 0.031332 0.025892 -0.012076 0Rh 6s 0.013212 0.050669 -0.110089 0.028282 -0.347408 -0.048928 0Rh 7s 0.047394 0.053305 0.560555 -0.084893 1.735848 0.215259 0Rh 8s -0.004047 0.091073 0.037117 0.691656 0.000249 -0.298974 0Rh 1pz 0.006956 -0.005774 0.008670 -0.001109 -0.001701 -0.005335 0Rh 1px -0.006684 -0.005668 0.002924 -0.009391 -0.001964 0.000912 0Rh 1py 0.002522 0.002499 -0.008260 -0.012466 0.004622 0.009467 0Rh 2pz -0.023747 0.020153 -0.028828 0.003731 0.005642 0.018201 0Rh 2px 0.022833 0.019374 -0.009800 0.032091 0.006567 -0.002990 0Rh 2py -0.009076 -0.008509 0.027816 0.042281 -0.015233 -0.032407 0Rh 3pz 0.012096 -0.019170 -0.001061 -0.000698 0.001078 -0.008823 0Rh 3px -0.012049 -0.009861 0.000913 -0.016853 -0.001258 -0.001140 0Rh 3py 0.014046 0.003764 -0.006439 -0.015297 -0.003762 0.017659 0Rh 4pz 0.079109 -0.030868 0.158137 -0.017347 -0.039015 -0.062536 0Rh 4px -0.073550 -0.068005 0.051365 -0.104106 -0.023212 0.021696 0Rh 4py -0.007495 0.030785 -0.121088 -0.167525 0.098299 0.105441 0Rh 5pz -0.099020 0.000900 -0.231922 0.024383 0.095724 0.080742 0Rh 5px 0.086669 0.114304 -0.092947 0.119946 -0.023609 -0.045151 0Rh 5py 0.041933 -0.038636 0.145916 0.238030 -0.160370 -0.139811 0Rh 6pz 0.052305 1.317964 0.953171 0.018890 -1.020490 -0.158944 0Rh 6px -0.085778 -0.761659 0.743811 -0.052473 1.046737 0.541152 0Rh 6py -1.210414 -0.023439 -0.333437 -1.145151 0.720201 0.049166 0Rh 1dz2 -0.000632 -0.009301 -0.002258 0.001987 -0.028518 0.010038 0Rh 1dxz -0.027902 0.027676 -0.005740 -0.008410 -0.007425 0.005378 0Rh 1dyz 0.002007 -0.002827 0.003867 0.006217 0.004087 0.013339 0Rh 1dx2y2 0.019370 0.041083 0.017874 0.026431 0.052388 0.000106 0Rh 1dxy -0.028921 -0.003177 -0.021390 0.018856 0.012568 -0.018225 0Rh 2dz2 -0.000216 0.002269 0.000452 0.000452 0.005407 -0.002654 0Rh 2dxz 0.005528 -0.006027 0.001000 0.003198 -0.000824 -0.000299 0Rh 2dyz -0.002319 0.000738 -0.000582 0.001556 -0.001697 -0.001589 0Rh 2dx2y2 -0.005029 -0.008756 -0.003507 -0.006231 -0.009370 0.001248 0Rh 2dxy 0.005075 0.000473 0.006090 -0.001712 -0.001611 0.004005 0Rh 3dz2 0.002202 0.009589 0.002688 -0.006796 0.037072 -0.010011 0Rh 3dxz 0.034845 -0.032891 0.007893 0.003950 0.019013 -0.009693 0Rh 3dyz 0.005974 0.002861 -0.005727 -0.020407 -0.001366 -0.021546 0Rh 3dx2y2 -0.018865 -0.048753 -0.022614 -0.028883 -0.070505 -0.005702 0Rh 3dxy 0.039280 0.004600 0.019108 -0.032339 -0.019643 0.021168 0Rh 4dz2 -0.004429 0.042377 0.008671 0.016252 0.096280 -0.043989 0Rh 4dxz 0.107118 -0.105347 0.017290 0.054153 -0.009260 -0.015001 0Rh 4dyz -0.041843 0.013485 -0.010156 0.033285 -0.028513 -0.029074 0Rh 4dx2y2 -0.092516 -0.164216 -0.063427 -0.115012 -0.169312 0.021260 0Rh 4dxy 0.092835 0.008218 0.104576 -0.040269 -0.032264 0.077158 0Rh 5dz2 0.068292 -0.150715 -0.013124 -0.232875 -0.105085 0.092859 0Rh 5dxz -0.309456 0.222709 -0.002404 -0.189512 0.214589 0.085266 0Rh 5dyz 0.295536 -0.056242 -0.012926 -0.469269 0.126736 -0.068286 0Rh 5dx2y2 0.312250 0.475900 0.097603 0.324234 0.159392 -0.157002 0Rh 5dxy -0.140006 0.000155 -0.315309 -0.023336 -0.005926 -0.277665 0Rh 1f0 -0.002554 -0.001050 -0.009066 0.013717 -0.017768 -0.006620 0Rh 1f+1 -0.009763 -0.003865 -0.004972 0.004602 -0.007022 0.010348 0Rh 1f-1 -0.006746 0.005068 -0.007135 0.005148 0.008352 -0.012934 0Rh 1f+2 0.001085 -0.020615 0.000872 -0.010758 0.007066 -0.001003 0Rh 1f-2 -0.001067 -0.006859 0.010796 0.009870 0.003564 -0.011317 0Rh 1f+3 -0.006413 -0.002826 -0.009112 -0.019173 0.013996 0.013325 0Rh 1f-3 -0.006379 -0.013429 0.017746 0.011600 0.000576 -0.002574 1Rh 1s 0.000731 0.001029 0.001609 0.001221 0.003635 -0.000696 1Rh 2s -0.003522 -0.003772 -0.004923 -0.005808 -0.008804 0.002893 1Rh 3s 0.002105 0.003689 0.006372 0.003563 0.015815 -0.002287 1Rh 4s 0.016509 0.017300 0.022102 0.027253 0.037834 -0.013423 1Rh 5s -0.020022 -0.012495 -0.006166 -0.032865 0.024518 0.012794 1Rh 6s -0.013627 -0.049988 -0.107674 -0.022986 -0.351135 0.027119 1Rh 7s -0.044488 -0.058056 0.562358 0.061210 1.747626 -0.106446 1Rh 8s 0.002307 -0.086885 0.053887 -0.690906 -0.037064 0.299032 1Rh 1pz 0.007083 -0.006027 -0.008876 -0.001576 0.001663 -0.005497 1Rh 1px -0.006763 -0.005630 -0.002436 -0.009559 0.001668 0.000825 1Rh 1py 0.003071 0.002347 0.008569 -0.011437 -0.005370 0.009930 1Rh 2pz -0.024168 0.021001 0.029534 0.005289 -0.005514 0.018730 1Rh 2px 0.023096 0.019249 0.008137 0.032649 -0.005562 -0.002703 1Rh 2py -0.010916 -0.007991 -0.028845 0.038830 0.017782 -0.033979 1Rh 3pz 0.012029 -0.019307 0.000691 -0.000751 -0.001104 -0.008651 1Rh 3px -0.012033 -0.009858 -0.000121 -0.016853 0.000894 -0.001021 1Rh 3py 0.014245 0.003536 0.006452 -0.014860 0.002604 0.018243 1Rh 4pz 0.081704 -0.034856 -0.160530 -0.025558 0.038469 -0.065929 1Rh 4px -0.074984 -0.067380 -0.045504 -0.107004 0.019154 0.019201 1Rh 4py 0.001585 0.028968 0.126597 -0.150788 -0.107505 0.111434 1Rh 5pz -0.103363 0.006630 0.235482 0.037138 -0.095415 0.085022 1Rh 5px 0.088644 0.113678 0.084513 0.123400 0.030094 -0.037583 1Rh 5py 0.028592 -0.037008 -0.154759 0.214591 0.173164 -0.146424 1Rh 6pz 0.057977 1.282700 -0.964263 -0.055205 1.042396 -0.153018 1Rh 6px -0.099444 -0.770123 -0.701182 -0.059221 -1.091746 0.450356 1Rh 6py -1.139013 -0.013718 0.424552 -1.053584 -0.755713 0.055521 1Rh 1dz2 0.000152 0.009139 -0.001232 -0.000980 -0.028039 -0.010843 1Rh 1dxz 0.029137 -0.027353 -0.007040 0.008837 -0.007079 -0.006968 1Rh 1dyz -0.002733 0.002735 0.004571 -0.005961 0.004522 -0.013497 1Rh 1dx2y2 -0.018789 -0.041494 0.020280 -0.027081 0.051391 0.002582 1Rh 1dxy 0.029069 0.003445 -0.021481 -0.020626 0.011050 0.017697 1Rh 2dz2 0.000429 -0.002206 0.000335 -0.000588 0.005302 0.002745 1Rh 2dxz -0.005856 0.005962 0.001315 -0.003234 -0.000966 0.000569 1Rh 2dyz 0.002604 -0.000687 -0.000471 -0.001473 -0.001800 0.001595 1Rh 2dx2y2 0.004926 0.008838 -0.004048 0.006315 -0.009114 -0.001708 1Rh 2dxy -0.005069 -0.000551 0.006275 0.002150 -0.001347 -0.003801 1Rh 3dz2 -0.002105 -0.009513 0.000971 0.005243 0.036526 0.011308 1Rh 3dxz -0.036053 0.032486 0.009273 -0.004693 0.018900 0.011906 1Rh 3dyz -0.005683 -0.002885 -0.007742 0.019496 -0.001840 0.021854 1Rh 3dx2y2 0.018078 0.049267 -0.025362 0.029894 -0.069516 0.001998 1Rh 3dxy -0.039632 -0.004831 0.018511 0.034194 -0.017583 -0.020923 1Rh 4dz2 0.007921 -0.041344 0.006993 -0.018737 0.094075 0.045811 1Rh 4dxz -0.112742 0.104180 0.023090 -0.054909 -0.011723 0.019865 1Rh 4dyz 0.046953 -0.012663 -0.007711 -0.031891 -0.030499 0.029229 1Rh 4dx2y2 0.090647 0.165688 -0.073321 0.116590 -0.164421 -0.029670 1Rh 4dxy -0.092622 -0.009553 0.107454 0.048093 -0.026961 -0.073717 1Rh 5dz2 -0.082504 0.146968 -0.025536 0.230481 -0.095435 -0.089433 1Rh 5dxz 0.324601 -0.220685 -0.020618 0.186741 0.225229 -0.087581 1Rh 5dyz -0.321809 0.052544 -0.053647 0.451970 0.134769 0.070862 1Rh 5dx2y2 -0.310255 -0.478760 0.124038 -0.323027 0.140666 0.163193 1Rh 5dxy 0.133971 0.003710 -0.333919 0.000724 -0.020327 0.263266 1Rh 1f0 -0.002002 -0.001086 0.008800 0.013667 0.018941 -0.006061 1Rh 1f+1 -0.009401 -0.003622 0.005461 0.004594 0.007154 0.010090 1Rh 1f-1 -0.007175 0.005112 0.007601 0.005552 -0.007859 -0.013080 1Rh 1f+2 0.001312 -0.020845 -0.000181 -0.010369 -0.007573 -0.001627 1Rh 1f-2 -0.002230 -0.006884 -0.010700 0.008700 -0.002896 -0.011925 1Rh 1f+3 -0.006240 -0.002854 0.010446 -0.017992 -0.015237 0.013067 1Rh 1f-3 -0.006087 -0.013030 -0.018191 0.010586 -0.000239 -0.003700 2C 1s -0.004163 0.001722 -0.003154 0.002724 -0.000966 0.000974 2C 2s -0.005171 0.001445 -0.006988 0.004313 -0.004802 0.002181 2C 3s -0.153650 0.064130 -0.013005 0.070763 0.108863 0.006939 2C 4s 0.870850 -0.315858 0.215049 -0.507147 -0.428253 -0.095618 2C 5s 0.742012 -0.972921 1.507555 1.287023 3.669471 1.205260 2C 1pz 0.070373 -0.047397 0.102193 -0.050947 0.015240 0.055721 2C 1px -0.012486 0.055826 0.004691 -0.008990 0.001038 -0.020277 2C 1py 0.102918 -0.047599 -0.078224 0.024504 -0.008435 -0.064243 2C 2pz 0.761989 -0.296438 0.467052 -0.467710 -0.285377 0.136943 2C 2px 0.218047 0.277190 -0.088553 -0.204510 -0.109719 -0.172824 2C 2py 0.661899 -0.475888 -0.125059 -0.159416 -0.360170 -0.387023 2C 3pz 0.407384 -0.734401 0.991736 -0.174923 0.702391 0.511262 2C 3px -0.335986 0.109722 0.041411 0.698716 0.323060 -0.079008 2C 3py 0.885280 -0.139885 -0.531765 0.518191 0.433641 0.022152 2C 1dz2 -0.000586 0.000799 -0.003325 0.001096 0.001343 -0.004412 2C 1dxz 0.001785 -0.004447 -0.006622 0.008710 -0.000508 -0.000875 2C 1dyz -0.005268 0.003545 -0.000528 0.002039 -0.001042 0.001073 2C 1dx2y2 -0.000103 0.005202 -0.006698 0.001626 -0.002199 -0.009489 2C 1dxy -0.004850 0.004236 0.002212 0.002690 0.001684 0.003521 2C 2dz2 0.363739 -0.484085 0.321593 -0.351469 -0.293915 -0.083630 2C 2dxz 0.167422 -0.631181 0.036610 0.117504 -0.156874 -0.090958 2C 2dyz 0.820297 -0.005954 -0.136904 -0.224919 -0.322644 -0.230135 2C 2dx2y2 -0.364869 0.181365 -0.248984 0.191602 -0.024149 -0.335121 2C 2dxy -0.177213 0.160848 0.568891 -0.171546 0.090625 0.401669 2C 1f0 0.001862 -0.004967 -0.018122 0.007876 -0.009215 -0.020729 2C 1f+1 0.004522 0.011279 0.013297 -0.013832 -0.001441 0.005635 2C 1f-1 0.026193 -0.016656 0.017029 -0.011850 -0.011107 0.006644 2C 1f+2 -0.004968 -0.017298 0.008525 0.000298 0.003823 0.008282 2C 1f-2 0.000499 -0.010250 -0.005433 0.000261 -0.001208 -0.005164 2C 1f+3 0.028102 -0.021950 -0.008630 -0.004478 -0.013553 -0.017395 2C 1f-3 0.005305 0.017863 -0.004019 -0.004065 -0.003589 -0.007310 3C 1s 0.001894 0.002458 -0.000389 -0.000543 -0.003149 0.002036 3C 2s 0.002273 0.002640 0.000269 -0.000023 -0.009532 0.000835 3C 3s 0.051214 0.108436 -0.005177 -0.048660 0.060204 0.133605 3C 4s -0.246189 -0.606550 0.039323 0.236461 -0.059417 -0.759361 3C 5s -1.101720 -0.825262 0.364569 0.116351 4.160700 0.883276 3C 1pz -0.052068 -0.071345 0.018629 0.031053 0.047771 -0.086954 3C 1px 0.021467 -0.016533 0.000409 0.024644 0.076537 -0.036251 3C 1py 0.045345 0.058699 -0.017252 0.014286 0.003049 -0.004099 3C 2pz -0.403626 -0.296091 0.355003 -0.016409 -0.134666 -0.840294 3C 2px 0.019703 -0.054163 -0.233493 0.368809 0.389085 -0.243501 3C 2py 0.304634 0.602685 0.005708 -0.092326 0.231144 0.287738 3C 3pz -0.280352 -0.873721 -0.013809 0.342053 0.525332 -0.182436 3C 3px 0.358914 -0.165441 -0.139435 -0.119307 1.033446 -0.406218 3C 3py 0.735753 0.288009 -0.291833 0.126711 -0.699062 -0.096600 3C 1dz2 -0.002438 -0.002080 0.003862 -0.003313 -0.002053 -0.006769 3C 1dxz -0.001217 -0.001466 0.000828 -0.006664 -0.005615 0.000322 3C 1dyz -0.003110 -0.005293 0.001238 0.001792 0.002757 -0.007664 3C 1dx2y2 0.004801 0.003115 -0.003757 -0.002987 0.000731 0.001967 3C 1dxy -0.003256 -0.002091 0.005294 0.001801 -0.005991 0.004163 3C 2dz2 0.113760 -0.197393 -0.152203 0.266370 0.292820 -0.031066 3C 2dxz -0.328579 -0.463713 0.209715 -0.210921 -0.623802 0.153650 3C 2dyz -0.007046 0.461719 0.397311 -0.401335 -0.165833 -0.206535 3C 2dx2y2 0.467994 0.141578 -0.327574 -0.000601 0.120550 0.865183 3C 2dxy 0.195414 0.273334 -0.279188 0.118305 0.062745 0.676204 3C 1f0 0.020815 0.014440 -0.015962 0.001399 0.000252 0.049904 3C 1f+1 0.014790 0.005568 -0.017711 0.014687 0.020290 0.014980 3C 1f-1 0.000618 0.015462 0.009185 -0.005882 0.006900 -0.021921 3C 1f+2 -0.000633 0.004557 -0.000552 0.004525 0.004088 0.004353 3C 1f-2 -0.004243 0.003253 0.008943 -0.012825 -0.011706 -0.002430 3C 1f+3 -0.009706 -0.015853 -0.003231 -0.001535 -0.017693 0.015617 3C 1f-3 -0.008972 -0.001289 0.011948 -0.008741 -0.015869 0.002791 4C 1s 0.006862 -0.011835 0.006681 0.007821 0.002317 0.006339 4C 2s 0.010359 -0.028036 0.015981 0.024292 0.010671 0.016856 4C 3s 0.423322 -0.071055 0.038223 -0.371693 -0.262719 -0.137187 4C 4s -3.309951 1.630977 -0.541361 1.598454 1.622335 0.197998 4C 5s -2.645942 3.635433 -1.203876 -1.564210 -1.970560 -1.621455 4C 1pz 0.034557 0.015531 0.011563 -0.042563 -0.026252 -0.003462 4C 1px 0.084474 0.050773 -0.028152 -0.131645 0.014106 -0.067143 4C 1py 0.035163 -0.027820 0.000827 -0.082728 -0.032476 -0.047557 4C 2pz 0.626773 -0.218895 0.160940 -0.181153 -0.330416 -0.167164 4C 2px 0.161576 0.014551 -0.069671 -0.336453 0.025468 -0.062168 4C 2py 0.396304 -0.150466 0.146733 -0.256857 -0.177713 -0.059133 4C 3pz -0.160699 0.735365 0.246073 1.042442 2.740702 0.628770 4C 3px 0.545231 0.031238 0.190246 -1.171645 0.512007 0.310310 4C 3py -0.790460 -0.140995 1.160542 -0.088451 1.778369 0.262442 4C 1dz2 0.019253 0.001633 -0.005775 -0.003328 -0.005713 0.000019 4C 1dxz 0.010434 -0.005148 0.005371 -0.002520 -0.007109 0.006112 4C 1dyz 0.003577 -0.008070 0.006266 -0.002446 -0.005598 0.000191 4C 1dx2y2 -0.010889 0.008735 -0.001854 0.008873 0.009468 0.004377 4C 1dxy -0.001933 0.002776 -0.002773 0.009854 0.004424 0.001245 4C 2dz2 -0.259153 -0.052217 0.057352 0.188168 0.113516 0.113699 4C 2dxz -0.122343 -0.111107 0.272862 -0.190637 0.100991 0.152743 4C 2dyz -0.340248 0.215972 -0.149646 0.127697 0.164726 0.061188 4C 2dx2y2 -0.198670 0.022242 0.303762 -0.275380 -0.155349 0.143841 4C 2dxy 0.003079 0.196437 -0.433593 0.047391 0.020994 -0.241701 4C 1f0 0.010883 -0.005566 0.006087 -0.008005 -0.001825 0.001244 4C 1f+1 0.027890 -0.004353 0.005041 -0.012829 -0.006913 -0.007626 4C 1f-1 0.025714 -0.010141 0.009536 -0.016197 -0.021324 -0.006248 4C 1f+2 -0.026586 0.016303 -0.005952 0.023747 0.011071 0.004383 4C 1f-2 0.013054 0.001613 -0.005146 -0.010406 -0.006973 -0.009302 4C 1f+3 0.005866 0.005585 -0.005118 0.008312 -0.003630 -0.006399 4C 1f-3 0.018087 -0.008823 0.004630 -0.002981 -0.004376 -0.003680 5C 1s -0.011013 -0.007856 0.004718 -0.003518 0.003577 -0.002376 5C 2s -0.026225 -0.015110 0.012550 -0.010810 0.011548 -0.001200 5C 3s -0.067659 -0.246654 -0.037399 0.137953 -0.142108 -0.319604 5C 4s 1.433255 2.335444 -0.204605 -0.537802 0.931718 2.363348 5C 5s 3.149144 2.679797 -0.719628 0.767779 -2.304469 1.258632 5C 1pz -0.004130 0.008265 0.034304 -0.032342 -0.026373 -0.095087 5C 1px -0.032707 0.006066 0.016695 0.137536 0.039224 0.012186 5C 1py -0.028505 0.037900 0.026643 -0.027037 0.022316 0.040749 5C 2pz -0.097365 -0.178566 -0.006199 0.025375 -0.103092 -0.223342 5C 2px -0.250669 -0.093481 0.192270 -0.070280 0.037795 -0.113200 5C 2py 0.222696 0.365344 -0.041137 -0.131401 0.077998 0.323035 5C 3pz 0.089186 0.903220 0.216891 -0.080098 1.772032 0.366641 5C 3px -0.698135 -0.235326 1.050859 0.054374 0.417262 0.640669 5C 3py -0.712042 0.281827 0.101501 -0.388490 -3.180962 -0.863242 5C 1dz2 -0.005362 0.007235 0.003446 0.000086 -0.005024 -0.007594 5C 1dxz -0.002933 -0.005595 0.003708 -0.002251 -0.005357 -0.014433 5C 1dyz 0.005251 -0.001402 0.002614 -0.000919 -0.002982 -0.001646 5C 1dx2y2 0.004302 0.017357 0.003035 -0.009124 0.003116 0.011278 5C 1dxy 0.004537 0.005647 -0.000756 0.005150 0.009274 0.006433 5C 2dz2 -0.155295 -0.209987 -0.093375 0.136258 0.046027 0.162585 5C 2dxz 0.019704 -0.162470 0.046365 0.105069 0.337852 -0.082099 5C 2dyz -0.254082 -0.149995 0.101519 -0.081469 -0.028888 -0.285883 5C 2dx2y2 0.036090 -0.135953 -0.124822 0.265518 0.014460 -0.021049 5C 2dxy 0.109632 -0.154470 -0.003899 0.086535 0.088229 -0.324326 5C 1f0 -0.004919 0.002528 0.000577 -0.008610 0.007041 0.008788 5C 1f+1 -0.001154 -0.007419 0.000359 0.000218 0.002222 -0.014410 5C 1f-1 0.002553 0.000552 -0.004097 0.005181 0.005668 0.008740 5C 1f+2 0.013573 0.010807 -0.005755 0.004946 0.017311 0.014941 5C 1f-2 0.013818 0.015458 -0.003326 -0.004950 0.000432 0.020616 5C 1f+3 -0.004216 -0.014779 -0.005204 0.014047 0.000196 -0.017418 5C 1f-3 0.014291 0.021090 -0.002576 0.000425 0.007767 0.010451 6C 1s 0.010690 0.007835 0.003989 0.003522 0.003399 0.002679 6C 2s 0.025647 0.015049 0.010588 0.010789 0.011233 0.002130 6C 3s 0.056247 0.247530 -0.025260 -0.136169 -0.149496 0.311624 6C 4s -1.369640 -2.345148 -0.207681 0.501341 0.996260 -2.321695 6C 5s -3.065454 -2.673070 -0.530199 -0.700840 -2.247819 -1.375449 6C 1pz -0.004709 0.007351 -0.030091 -0.036010 0.027002 -0.094201 6C 1px -0.033526 0.005946 -0.029413 0.136198 -0.036852 0.011674 6C 1py -0.029766 0.037484 -0.023565 -0.028045 -0.023581 0.039951 6C 2pz -0.083381 -0.179593 0.006450 0.023416 0.104252 -0.219361 6C 2px -0.250575 -0.092850 -0.199074 -0.081430 -0.036278 -0.116386 6C 2py 0.204501 0.367958 0.047987 -0.126696 -0.085906 0.319419 6C 3pz 0.133437 0.924144 -0.185057 -0.034201 -1.765624 0.291753 6C 3px -0.719971 -0.231385 -1.076360 -0.010174 -0.439320 0.565674 6C 3py -0.753640 0.253397 -0.079884 -0.500761 3.172353 -0.728753 6C 1dz2 0.005381 -0.007243 0.003312 0.000446 -0.005079 0.007342 6C 1dxz 0.002775 0.005738 0.003205 0.002587 -0.005725 0.014213 6C 1dyz -0.004616 0.001488 0.002634 0.001352 -0.002974 0.001718 6C 1dx2y2 -0.003750 -0.017335 0.002483 0.009230 0.003589 -0.010834 6C 1dxy -0.004263 -0.005636 -0.000261 -0.005491 0.009245 -0.006214 6C 2dz2 0.147385 0.207443 -0.088684 -0.145811 0.041856 -0.158134 6C 2dxz -0.007606 0.167790 0.048245 -0.113936 0.324253 0.094132 6C 2dyz 0.232540 0.147869 0.095370 0.083978 -0.030214 0.285110 6C 2dx2y2 -0.040375 0.136124 -0.103814 -0.274029 0.004341 0.014883 6C 2dxy -0.115964 0.158864 -0.008213 -0.091328 0.074948 0.325720 6C 1f0 -0.005031 0.002659 -0.000165 -0.008300 -0.007461 0.008326 6C 1f+1 -0.000727 -0.007512 -0.000107 0.000405 -0.001985 -0.014504 6C 1f-1 0.002679 0.000665 0.003541 0.005689 -0.005532 0.008656 6C 1f+2 0.013288 0.010879 0.005454 0.005878 -0.017255 0.014530 6C 1f-2 0.013135 0.015501 0.003832 -0.004866 -0.000918 0.020461 6C 1f+3 -0.003187 -0.014749 0.004306 0.014434 0.000524 -0.017078 6C 1f-3 0.013503 0.021071 0.002432 0.000547 -0.007942 0.010640 7C 1s -0.006585 0.011856 0.007475 -0.007427 0.002224 -0.005969 7C 2s -0.009880 0.028013 0.017956 -0.023608 0.010153 -0.015766 7C 3s -0.412968 0.075415 0.033830 0.388761 -0.242406 0.128024 7C 4s 3.256972 -1.650614 -0.594724 -1.719509 1.496905 -0.152403 7C 5s 2.565884 -3.634828 -1.415860 1.548996 -1.966133 1.452334 7C 1pz 0.035304 0.014955 -0.013151 -0.043599 0.021590 -0.003237 7C 1px 0.081156 0.050146 0.036428 -0.130796 -0.015620 -0.065038 7C 1py 0.034977 -0.026740 0.004132 -0.084065 0.030544 -0.047561 7C 2pz 0.613303 -0.217863 -0.170723 -0.206130 0.309513 -0.167892 7C 2px 0.153049 0.009670 0.078453 -0.333225 -0.033483 -0.056200 7C 2py 0.385365 -0.153259 -0.146273 -0.278432 0.163092 -0.059334 7C 3pz -0.208802 0.739232 -0.306261 1.146286 -2.687878 0.445937 7C 3px 0.570643 0.009656 -0.120512 -1.138445 -0.547432 0.284032 7C 3py -0.833275 -0.149237 -1.121236 -0.087773 -1.761461 0.131546 7C 1dz2 -0.018754 -0.001632 -0.005219 0.003352 -0.005288 -0.000416 7C 1dxz -0.010461 0.005252 0.006027 0.002932 -0.006428 -0.006113 7C 1dyz -0.002852 0.008166 0.006126 0.003308 -0.005504 -0.000205 7C 1dx2y2 0.010757 -0.008842 -0.001826 -0.009434 0.009053 -0.003981 7C 1dxy 0.001628 -0.002759 -0.002160 -0.010280 0.004059 -0.001091 7C 2dz2 0.249251 0.051172 0.054807 -0.187746 0.101001 -0.110598 7C 2dxz 0.131649 0.114010 0.257544 0.208859 0.106629 -0.146064 7C 2dyz 0.323819 -0.218846 -0.152538 -0.149571 0.158494 -0.064808 7C 2dx2y2 0.210540 -0.022428 0.281681 0.303977 -0.140694 -0.144640 7C 2dxy -0.018286 -0.197870 -0.436149 -0.076749 0.002432 0.229262 7C 1f0 0.010743 -0.005816 -0.006263 -0.008265 0.000974 0.001244 7C 1f+1 0.026477 -0.004690 -0.005524 -0.013967 0.005984 -0.007373 7C 1f-1 0.025384 -0.010250 -0.009656 -0.017630 0.019970 -0.005778 7C 1f+2 -0.026340 0.016640 0.005526 0.024799 -0.010034 0.004273 7C 1f-2 0.012403 0.001614 0.005284 -0.010720 0.006689 -0.008747 7C 1f+3 0.005737 0.005781 0.004510 0.008316 0.003973 -0.006152 7C 1f-3 0.017643 -0.008979 -0.005041 -0.003781 0.004057 -0.003875 8C 1s -0.001568 -0.002430 -0.000433 0.000700 -0.003083 -0.002227 8C 2s -0.001470 -0.002546 0.000171 0.000574 -0.009497 -0.001370 8C 3s -0.048646 -0.108692 -0.006109 0.045907 0.064129 -0.129387 8C 4s 0.217690 0.605311 0.046922 -0.231627 -0.080580 0.751098 8C 5s 0.975016 0.788956 0.311849 -0.266392 4.139126 -0.687411 8C 1pz -0.053776 -0.072304 -0.016524 0.030981 -0.044673 -0.089619 8C 1px 0.020790 -0.016520 -0.002216 0.026465 -0.073435 -0.036638 8C 1py 0.039686 0.058012 0.017401 0.013969 -0.002239 -0.002395 8C 2pz -0.408190 -0.302213 -0.329742 -0.046598 0.149832 -0.841737 8C 2px 0.035708 -0.054223 0.208904 0.394162 -0.371085 -0.234999 8C 2py 0.267345 0.600680 0.005561 -0.092154 -0.238952 0.282509 8C 3pz -0.277141 -0.876636 0.004037 0.362632 -0.511437 -0.210084 8C 3px 0.370516 -0.162624 0.166641 -0.073206 -1.009275 -0.422719 8C 3py 0.688285 0.276432 0.264397 0.112159 0.695974 -0.051493 8C 1dz2 0.002622 0.002140 0.003681 0.003759 -0.002038 0.006765 8C 1dxz 0.001006 0.001417 0.000304 0.006751 -0.005334 -0.000480 8C 1dyz 0.003248 0.005373 0.000986 -0.001741 0.002366 0.007749 8C 1dx2y2 -0.005168 -0.003193 -0.003655 0.002587 0.001017 -0.002034 8C 1dxy 0.003269 0.002058 0.005624 -0.001333 -0.005798 -0.004049 8C 2dz2 -0.094044 0.203002 -0.135910 -0.277281 0.272946 0.034481 8C 2dxz 0.319038 0.462099 0.193384 0.236163 -0.610604 -0.160980 8C 2dyz 0.044762 -0.456849 0.354156 0.440083 -0.159341 0.210573 8C 2dx2y2 -0.474850 -0.150431 -0.305873 -0.032655 0.137875 -0.857006 8C 2dxy -0.207518 -0.280003 -0.259219 -0.142348 0.079610 -0.682372 8C 1f0 0.021292 0.015037 0.014868 0.002937 -0.001585 0.049952 8C 1f+1 0.015036 0.005590 0.015919 0.016452 -0.019863 0.014497 8C 1f-1 -0.000524 0.015233 -0.008275 -0.006720 -0.006634 -0.022189 8C 1f+2 -0.001030 0.004595 -0.000081 0.004530 -0.004082 0.003995 8C 1f-2 -0.004903 0.002985 -0.007709 -0.013690 0.011364 -0.002314 8C 1f+3 -0.008115 -0.015616 0.002788 -0.001118 0.016799 0.015860 8C 1f-3 -0.010034 -0.001607 -0.010994 -0.010121 0.015694 0.002757 9C 1s 0.003861 -0.001769 -0.003148 -0.002964 -0.001109 -0.001192 9C 2s 0.004394 -0.001560 -0.006884 -0.004780 -0.004947 -0.002764 9C 3s 0.151591 -0.064809 -0.016575 -0.076191 0.102181 -0.004413 9C 4s -0.843674 0.322421 0.231080 0.541929 -0.387365 0.098211 9C 5s -0.616092 0.977508 1.592827 -1.328422 3.607175 -0.931242 9C 1pz 0.065766 -0.049107 -0.103363 -0.058122 -0.020973 0.052495 9C 1px -0.018431 0.054864 -0.006504 -0.012410 -0.000364 -0.018498 9C 1py 0.104279 -0.046655 0.074654 0.029382 0.011652 -0.065008 9C 2pz 0.735293 -0.306082 -0.482451 -0.511895 0.237992 0.135318 9C 2px 0.181330 0.279896 0.085953 -0.220900 0.102545 -0.162959 9C 2py 0.658572 -0.469806 0.121897 -0.168807 0.361936 -0.385008 9C 3pz 0.360466 -0.741308 -0.994434 -0.218685 -0.716907 0.439434 9C 3px -0.379770 0.108430 -0.106444 0.684235 -0.293012 -0.089926 9C 3py 0.882489 -0.138075 0.467166 0.575544 -0.421512 -0.006727 9C 1dz2 0.000256 -0.000781 -0.003360 -0.001545 0.001102 0.004364 9C 1dxz -0.001907 0.004329 -0.005892 -0.009071 -0.000777 0.000816 9C 1dyz 0.005470 -0.003506 -0.000802 -0.001973 -0.001269 -0.001140 9C 1dx2y2 0.000138 -0.005161 -0.006792 -0.001921 -0.002600 0.009410 9C 1dxy 0.005111 -0.004316 0.002284 -0.002528 0.001780 -0.003418 9C 2dz2 -0.343651 0.477580 0.305029 0.390079 -0.277178 0.082086 9C 2dxz -0.195375 0.632705 0.041282 -0.122051 -0.165803 0.090081 9C 2dyz -0.798215 0.018535 -0.116230 0.239482 -0.308563 0.222989 9C 2dx2y2 0.378508 -0.176821 -0.271751 -0.200315 -0.061716 0.339258 9C 2dxy 0.195120 -0.154800 0.565674 0.202924 0.118315 -0.387175 9C 1f0 0.001135 -0.004796 0.018588 0.008405 0.010845 -0.020563 9C 1f+1 0.003086 0.011219 -0.012451 -0.015021 0.000499 0.005200 9C 1f-1 0.025645 -0.016789 -0.017721 -0.013609 0.009652 0.006537 9C 1f+2 -0.003433 -0.016780 -0.008196 0.000216 -0.003867 0.007943 9C 1f-2 0.001229 -0.010408 0.005638 0.000696 0.001758 -0.005135 9C 1f+3 0.028055 -0.022133 0.008682 -0.004202 0.013868 -0.016961 9C 1f-3 0.004785 0.016985 0.003890 -0.004892 0.003926 -0.007497 10H 1s -0.026232 0.042915 -0.016192 -0.001812 0.003202 -0.021647 10H 2s 0.227436 -0.788166 0.457573 -0.095215 -0.053692 0.374229 10H 3s 0.155322 0.059068 -0.094708 -0.370499 -0.366265 -0.024767 10H 1pz 0.008023 -0.038778 0.013471 0.001080 -0.003049 0.009193 10H 1px -0.011577 0.046568 -0.035512 0.005816 0.003738 -0.021462 10H 1py -0.009218 -0.013131 0.026161 -0.008141 0.002997 0.013458 11H 1s 0.004867 -0.013941 -0.035716 0.020128 0.001732 -0.013335 11H 2s 0.067840 0.728259 0.441252 -0.437887 0.082869 0.373185 11H 3s -0.215220 -0.317214 0.176163 0.013028 -0.125147 -0.049585 11H 1pz 0.012848 0.050389 -0.000717 -0.014434 -0.004576 -0.000898 11H 1px 0.012129 0.021944 0.027714 -0.033592 0.007911 0.021300 11H 1py -0.003006 -0.020003 -0.014368 0.002507 -0.008667 -0.012427 12H 1s -0.030338 0.010878 0.034278 -0.007139 0.014860 0.037882 12H 2s 0.493454 -0.293828 -0.787267 0.101010 -0.411179 -0.864905 12H 3s 0.113998 0.180082 -0.317684 0.185105 -0.054621 0.030602 12H 1pz -0.012302 0.005265 0.016334 -0.009284 -0.004776 0.005634 12H 1px 0.036373 -0.019858 -0.026141 -0.005940 -0.011542 -0.020290 12H 1py 0.023481 -0.027007 -0.031945 -0.001910 -0.032032 -0.059802 13H 1s 0.030860 0.025181 -0.013467 0.015412 0.027502 0.027135 13H 2s -0.649118 -0.398746 0.759934 -0.511833 -0.951939 -0.592371 13H 3s 0.009256 -0.076222 -0.229968 0.224591 -0.291750 0.108191 13H 1pz -0.036754 -0.008749 0.045339 -0.034954 -0.063346 -0.020324 13H 1px 0.032273 0.021820 -0.037724 0.022839 0.041155 0.035304 13H 1py 0.018412 0.015878 -0.033501 0.031381 0.029764 0.039984 14H 1s 0.009678 0.010999 -0.007649 -0.019196 -0.025422 0.040883 14H 2s 0.011721 0.116257 0.030776 0.344536 0.676877 -1.016373 14H 3s 0.217997 -0.274677 -0.022835 -0.062291 -0.091833 -0.134197 14H 1pz -0.000249 0.029781 0.008720 0.004215 0.018541 -0.037208 14H 1px -0.010927 0.005769 0.002738 0.024852 0.035985 -0.070818 14H 1py 0.001359 -0.009694 0.000854 -0.000777 0.016455 -0.000992 15H 1s 0.000708 -0.006856 0.008614 -0.000909 0.014867 -0.037810 15H 2s 0.304609 -0.242370 -0.566059 0.204775 -0.030531 1.066442 15H 3s -0.160277 0.206655 0.264723 -0.260252 -0.166165 -0.386865 15H 1pz -0.004688 0.017784 0.023207 -0.004721 -0.008507 -0.042955 15H 1px -0.010467 -0.007153 -0.003906 0.005676 -0.013368 0.024857 15H 1py -0.022633 0.014802 0.049089 -0.033896 -0.003043 -0.074495 16H 1s 0.006551 0.006052 0.003102 -0.014644 -0.000901 -0.011715 16H 2s 0.043558 -0.110563 0.019800 0.127521 0.235266 0.024759 16H 3s 0.101761 -0.028248 -0.026069 -0.037619 -0.211916 0.015260 16H 1pz -0.024989 -0.010600 -0.022698 0.000688 -0.015438 0.023763 16H 1px 0.009171 0.025979 0.006308 -0.063783 0.008066 -0.031375 16H 1py 0.035442 0.000987 0.047083 0.039560 0.060314 -0.023229 17H 1s -0.002235 -0.010373 -0.006550 0.018248 -0.006816 0.006000 17H 2s 0.098860 0.007422 0.146602 0.053631 0.268287 -0.053946 17H 3s 0.066538 0.176391 0.011079 -0.070883 -0.069618 0.025310 17H 1pz 0.026355 -0.002969 0.042637 0.045812 -0.000265 -0.011421 17H 1px -0.014782 -0.012285 -0.041042 0.031154 0.006270 0.037574 17H 1py 0.023061 -0.003958 0.023955 0.046917 0.043327 0.010208 18H 1s 0.001813 0.010914 -0.005474 -0.017704 -0.007182 -0.006340 18H 2s -0.095967 -0.003640 0.144303 -0.051672 0.267697 0.071310 18H 3s -0.059873 -0.176340 0.010349 0.075554 -0.067440 -0.032378 18H 1pz 0.025512 -0.002325 -0.045836 0.041033 0.001678 -0.013924 18H 1px -0.013158 -0.012664 0.040059 0.033987 -0.004685 0.038399 18H 1py 0.024763 -0.003694 -0.027564 0.048512 -0.042116 0.006305 19H 1s -0.006435 -0.005655 0.001420 0.014960 -0.000551 0.011677 19H 2s -0.047675 0.109500 0.024631 -0.135387 0.232646 -0.008649 19H 3s -0.109185 0.027136 -0.016630 0.043974 -0.208441 -0.023080 19H 1pz -0.024497 -0.010593 0.023601 0.001458 0.017058 0.025435 19H 1px 0.008572 0.024469 -0.000951 -0.063798 -0.009568 -0.030208 19H 1py 0.033190 0.001639 -0.049333 0.036793 -0.059870 -0.027623 20H 1s 0.001206 0.007325 0.006918 0.001722 0.013873 0.038185 20H 2s -0.352491 0.229128 -0.509293 -0.254685 -0.013003 -1.074346 20H 3s 0.172497 -0.205724 0.234909 0.290246 -0.167172 0.384271 20H 1pz -0.007429 0.017082 -0.021412 -0.007266 0.009321 -0.042744 20H 1px -0.009681 -0.007024 0.003151 0.006051 0.012615 0.025296 20H 1py -0.025261 0.014078 -0.044074 -0.038055 0.003403 -0.074925 21H 1s -0.010588 -0.011364 -0.007835 0.018934 -0.023462 -0.040984 21H 2s 0.013647 -0.106419 0.034622 -0.345347 0.638647 1.015050 21H 3s -0.206921 0.279387 -0.026639 0.062571 -0.095549 0.127638 21H 1pz -0.000824 0.029608 -0.008518 0.003705 -0.017529 -0.037333 21H 1px -0.011841 0.004902 -0.003101 0.024669 -0.033563 -0.070473 21H 1py 0.001075 -0.009803 -0.000484 -0.000052 -0.016227 -0.001671 22H 1s -0.030863 -0.025539 -0.010973 -0.017036 0.027467 -0.027089 22H 2s 0.673618 0.408493 0.701360 0.592061 -0.941815 0.595642 22H 3s -0.008114 0.075253 -0.204275 -0.225572 -0.290956 -0.124990 22H 1pz -0.037442 -0.009191 -0.041921 -0.039483 0.061811 -0.020001 22H 1px 0.033705 0.022244 0.035015 0.026776 -0.041468 0.035498 22H 1py 0.020305 0.016529 0.030558 0.034772 -0.029747 0.040133 23H 1s 0.030351 -0.010240 0.033909 0.008767 0.016883 -0.037231 23H 2s -0.490272 0.283108 -0.789862 -0.126129 -0.455168 0.846564 23H 3s -0.130497 -0.176735 -0.285331 -0.205153 -0.048331 -0.047723 23H 1pz -0.012592 0.005683 -0.015413 -0.010338 0.004234 0.005946 23H 1px 0.036283 -0.018770 0.026107 -0.004727 0.011829 -0.019293 23H 1py 0.022771 -0.026262 0.033625 -0.002066 0.035057 -0.058843 24H 1s -0.006664 0.013204 -0.035028 -0.023456 -0.000090 0.013650 24H 2s -0.017109 -0.713817 0.453814 0.485236 0.131669 -0.377510 24H 3s 0.212839 0.314917 0.172668 0.002254 -0.129442 0.046232 24H 1pz 0.011206 0.049768 -0.000121 -0.015279 0.002761 0.000213 24H 1px 0.010091 0.021680 -0.027895 -0.036109 -0.011006 0.021199 24H 1py -0.000479 -0.019396 0.015146 0.003529 0.009371 -0.011789 25H 1s 0.027759 -0.042504 -0.017311 0.001576 0.001743 0.020901 25H 2s -0.283283 0.788128 0.456043 0.095851 -0.026901 -0.365849 25H 3s -0.156420 -0.059488 -0.115601 0.380258 -0.348891 0.007719 25H 1pz 0.011200 -0.038795 -0.013867 0.001662 0.002351 0.008912 25H 1px -0.014524 0.046481 0.035420 0.006485 -0.002181 -0.021039 25H 1py -0.008456 -0.012699 -0.024896 -0.008912 -0.004161 0.012947 26O 1s 0.002422 -0.001855 -0.003037 0.003990 -0.010667 0.003631 26O 2s 0.006603 -0.004275 -0.006105 0.005562 -0.020595 0.008195 26O 3s -0.027263 0.004343 -0.017578 0.068850 -0.068747 0.003455 26O 4s -0.072580 0.115341 0.182839 -0.530894 0.901799 -0.174763 26O 5s 1.083244 -1.262559 0.027706 1.675192 -2.412383 0.463883 26O 1pz 0.018497 0.042869 -0.029700 0.011197 0.006795 -0.036621 26O 1px 0.044233 0.023557 -0.051355 -0.020047 -0.002508 -0.027779 26O 1py -0.001294 -0.004327 0.031179 -0.027327 0.003344 -0.005774 26O 2pz 0.084655 0.022336 -0.050911 -0.019408 0.095220 -0.054778 26O 2px 0.010772 0.063035 -0.147260 -0.006415 0.037566 -0.026445 26O 2py -0.046359 -0.035650 0.107972 -0.088045 0.090625 0.031918 26O 3pz -0.393444 0.242989 -0.066621 0.119202 -0.866937 -0.079403 26O 3px -0.961524 0.903568 0.073504 -0.278339 0.353671 -0.277886 26O 3py -0.347060 0.652244 -0.034427 0.005066 -0.541678 -0.003068 26O 1dz2 0.002512 -0.004053 -0.001523 0.002076 -0.001134 -0.000507 26O 1dxz 0.000386 0.000054 -0.004139 -0.000538 -0.001661 -0.003148 26O 1dyz -0.000943 0.000719 -0.003567 -0.004023 0.001024 -0.000231 26O 1dx2y2 0.000281 0.004313 -0.005982 0.001715 0.002597 -0.007201 26O 1dxy -0.005317 0.002255 0.005331 -0.007578 0.000996 0.002124 26O 2dz2 -0.031653 -0.024468 -0.002945 -0.000185 0.000084 0.023704 26O 2dxz 0.004129 0.001570 -0.009500 0.014077 0.003163 -0.013823 26O 2dyz 0.026268 0.009617 0.014676 -0.030657 0.039967 -0.008940 26O 2dx2y2 0.036585 -0.018035 -0.004137 -0.038747 -0.009952 -0.030888 26O 2dxy 0.026202 -0.013962 0.031132 -0.062456 -0.007782 0.000374 26O 1f0 -0.001295 -0.000669 -0.000991 -0.000888 0.000329 -0.001254 26O 1f+1 0.004716 0.000090 -0.000071 -0.004623 -0.001141 -0.002247 26O 1f-1 0.001831 0.001279 0.000037 -0.000605 0.001022 -0.001368 26O 1f+2 0.000728 -0.001442 -0.001934 -0.000061 -0.001996 0.000339 26O 1f-2 0.000531 -0.000842 0.001140 0.000892 0.000183 0.000420 26O 1f+3 0.000797 -0.003086 0.003868 -0.004700 -0.002331 0.000628 26O 1f-3 0.005013 -0.000067 0.000198 -0.005245 -0.002444 -0.003371 27O 1s 0.004299 -0.003065 -0.006092 0.000609 -0.006090 -0.010434 27O 2s 0.008843 -0.008544 -0.012043 0.002936 -0.010933 -0.021720 27O 3s 0.019453 0.033114 -0.035442 -0.029566 -0.054284 -0.034086 27O 4s -0.268784 0.051414 0.453186 0.081368 0.598798 0.746394 27O 5s 0.119914 -0.910679 -0.925586 -0.075285 -1.715964 -2.523917 27O 1pz -0.005021 0.049200 -0.009334 0.006568 -0.011454 0.019799 27O 1px -0.010094 0.015057 -0.019383 0.044162 0.030937 0.027499 27O 1py -0.027034 -0.009958 0.048483 -0.044735 -0.041635 -0.010343 27O 2pz -0.060226 0.075742 0.037941 0.010178 -0.023862 0.037975 27O 2px -0.016989 0.055535 -0.059735 0.020327 0.124431 0.094534 27O 2py -0.013636 0.019839 0.046512 -0.121289 -0.160058 -0.025069 27O 3pz 0.308680 -0.230374 -0.254366 -0.034498 -0.539919 -0.179185 27O 3px 0.666561 0.840961 0.413789 0.008142 -0.282812 0.620319 27O 3py -0.388179 -0.335056 -0.200912 0.260765 0.933617 0.317192 27O 1dz2 -0.000370 -0.003287 -0.001662 -0.001428 -0.000000 -0.002485 27O 1dxz -0.002221 0.000439 -0.001682 -0.004059 -0.006172 0.002984 27O 1dyz 0.001680 -0.000764 -0.000018 0.000385 0.000669 -0.004076 27O 1dx2y2 0.001413 0.003612 0.001719 -0.000311 -0.001423 0.005802 27O 1dxy -0.000699 0.000124 0.000230 -0.001598 -0.001078 -0.000534 27O 2dz2 0.004110 -0.013441 -0.025962 -0.000537 0.006663 0.044605 27O 2dxz 0.004359 -0.004145 -0.018938 -0.007017 0.001716 0.018358 27O 2dyz 0.017099 0.029822 -0.046396 -0.040299 0.025464 -0.019948 27O 2dx2y2 -0.013340 -0.039735 -0.025346 0.040278 -0.013227 -0.000418 27O 2dxy -0.017097 0.023494 -0.008055 -0.030582 -0.021659 0.021645 27O 1f0 0.000586 -0.000675 -0.001254 0.000769 0.001808 0.003081 27O 1f+1 -0.001123 -0.001845 0.000936 0.003043 -0.002015 -0.002901 27O 1f-1 -0.000169 0.001123 0.000100 -0.001220 0.000566 -0.001703 27O 1f+2 -0.002808 -0.000784 -0.000118 -0.001449 -0.004277 -0.000570 27O 1f-2 -0.000840 -0.001041 -0.000674 -0.000737 -0.001544 0.001476 27O 1f+3 0.000867 -0.004086 -0.000098 0.005410 -0.000393 -0.004291 27O 1f-3 0.000291 -0.001580 -0.001166 -0.002286 -0.001224 0.000240 28O 1s 0.007804 -0.006825 -0.000285 -0.012024 -0.007835 0.001670 28O 2s 0.017445 -0.014094 -0.000285 -0.025206 -0.015077 0.004123 28O 3s -0.000992 -0.025092 -0.008715 -0.033277 -0.050056 -0.001685 28O 4s -0.455923 0.507016 0.055185 0.802335 0.653861 -0.092304 28O 5s 2.126709 -2.013094 -0.106983 -2.615002 -1.712855 0.339225 28O 1pz -0.034768 0.004041 0.001263 0.013364 0.013058 0.023855 28O 1px 0.003979 0.009095 -0.009709 -0.036216 0.017489 -0.008052 28O 1py -0.025761 0.002013 0.001782 0.015205 0.005590 -0.013506 28O 2pz -0.078906 0.035171 0.012117 0.120266 0.137077 0.077895 28O 2px 0.059078 -0.003143 -0.016338 -0.096201 -0.004435 -0.005017 28O 2py -0.059221 -0.039551 -0.005978 0.059147 0.051121 -0.021823 28O 3pz -0.655152 0.388913 -0.016922 -0.449790 -0.826351 -0.269553 28O 3px 0.721211 -0.673634 0.259153 -0.564209 -0.334676 0.042519 28O 3py 0.302179 0.353321 -0.500002 -0.231379 -0.461670 -0.162364 28O 1dz2 -0.003183 0.002298 0.003930 0.000082 -0.000575 0.000095 28O 1dxz 0.004943 -0.004336 0.000930 -0.003035 0.000037 0.000753 28O 1dyz -0.000989 0.004320 -0.004869 0.005359 -0.000302 -0.003227 28O 1dx2y2 -0.003867 0.001217 -0.000058 0.003189 0.000546 0.000734 28O 1dxy -0.002412 -0.001735 0.004271 -0.000915 0.000268 0.002918 28O 2dz2 -0.016930 -0.004677 0.044552 -0.029049 0.014470 0.020381 28O 2dxz -0.030367 0.001606 0.013736 0.039677 -0.000494 0.023161 28O 2dyz 0.024041 0.008097 -0.045836 0.000063 0.021304 -0.003500 28O 2dx2y2 0.001701 -0.006386 0.024124 -0.007867 -0.009467 0.005115 28O 2dxy -0.003594 -0.004769 -0.007662 0.016341 -0.017637 0.007723 28O 1f0 0.002241 0.001155 0.000984 -0.003015 -0.001101 0.000657 28O 1f+1 -0.001136 -0.002397 0.001558 -0.000006 -0.000673 0.000814 28O 1f-1 -0.000470 -0.001774 0.001486 -0.003576 0.002880 0.000306 28O 1f+2 -0.004014 0.001486 0.001316 0.004017 0.002089 0.001284 28O 1f-2 -0.000620 0.000132 0.001534 0.000218 0.000683 0.002012 28O 1f+3 -0.002017 0.000994 -0.001389 0.002420 0.002712 0.000832 28O 1f-3 -0.000785 -0.000509 0.001606 -0.000155 0.001013 0.001747 29O 1s 0.001844 0.005255 -0.001993 0.002617 -0.004484 -0.002977 29O 2s 0.005532 0.011933 -0.003598 0.007839 -0.006143 -0.007223 29O 3s -0.025118 -0.000327 -0.015510 -0.035127 -0.070078 0.008808 29O 4s 0.058292 -0.233168 0.180639 0.081136 0.587627 0.085766 29O 5s -0.189314 0.555854 -0.475547 -0.224913 -1.468449 -0.219476 29O 1pz -0.001027 -0.021917 -0.007777 -0.022207 -0.001678 0.001714 29O 1px 0.034560 0.027003 0.008451 0.033470 0.016684 -0.014635 29O 1py 0.020716 0.002288 0.008975 0.000578 -0.000819 0.012414 29O 2pz -0.013449 -0.025930 0.007601 0.023253 0.049307 0.019305 29O 2px 0.023846 0.057480 -0.027982 0.015211 -0.113532 -0.009999 29O 2py -0.004512 -0.001802 0.001653 -0.022558 0.029439 0.015522 29O 3pz 0.007514 -0.066003 -0.194572 0.014812 -0.217305 0.006163 29O 3px -0.123393 -0.323589 0.079002 0.037582 0.541429 0.096439 29O 3py 0.117755 -0.040976 0.081585 0.139944 0.104933 -0.044571 29O 1dz2 0.000819 -0.001113 0.002076 0.001099 0.001146 -0.000229 29O 1dxz 0.000128 -0.001376 0.000379 0.000871 0.000922 0.000501 29O 1dyz -0.000661 -0.000459 -0.001616 -0.000518 -0.000395 0.000570 29O 1dx2y2 0.001380 0.000430 0.000329 0.001747 0.002956 -0.000250 29O 1dxy 0.000443 -0.000118 -0.000529 0.000303 -0.000751 0.000395 29O 2dz2 0.026078 0.032038 0.048198 0.002196 0.021612 -0.026602 29O 2dxz -0.006919 -0.062234 -0.035183 0.039705 -0.065861 0.049374 29O 2dyz -0.031770 -0.012386 -0.040966 -0.033481 -0.023652 0.018335 29O 2dx2y2 0.024885 -0.006945 0.010602 0.076342 0.096295 -0.000995 29O 2dxy 0.053167 0.001449 0.061265 0.067075 0.005757 -0.001341 29O 1f0 0.000071 -0.000523 0.000746 0.000489 0.002038 0.000615 29O 1f+1 -0.000223 -0.001313 -0.001061 0.001012 -0.002172 0.000865 29O 1f-1 0.000095 -0.001441 0.000517 0.001876 0.000164 0.001269 29O 1f+2 0.000361 0.001275 0.000414 -0.001076 -0.000671 -0.001665 29O 1f-2 0.000981 0.001643 0.001532 -0.001667 0.002130 -0.000878 29O 1f+3 -0.000608 -0.000450 -0.001136 0.001347 -0.001270 0.000285 29O 1f-3 0.000814 0.000024 0.000773 0.001672 0.000492 0.000521 30O 1s -0.007086 -0.008911 0.000980 0.007842 -0.012642 -0.005055 30O 2s -0.014107 -0.019572 0.000384 0.017242 -0.024551 -0.012139 30O 3s -0.033342 -0.009854 0.033070 0.011087 -0.078946 0.015174 30O 4s 0.567392 0.537994 -0.202702 -0.407854 0.968216 0.235230 30O 5s -2.449019 -2.102713 0.710402 0.624770 -2.204559 -1.216995 30O 1pz 0.005764 -0.003447 0.036928 -0.051808 -0.007931 -0.024669 30O 1px -0.003858 0.014932 0.017035 0.012189 0.031594 -0.004421 30O 1py -0.009587 0.003789 -0.021902 0.055860 0.012169 -0.025298 30O 2pz 0.024363 0.052492 0.092391 -0.105195 0.060446 -0.082077 30O 2px -0.042486 -0.020685 -0.000556 -0.026093 0.099614 -0.079137 30O 2py -0.058284 0.027506 -0.071556 0.114383 -0.061395 -0.021790 30O 3pz 0.637454 0.087099 -0.685915 0.554481 -0.094468 0.385002 30O 3px -0.640084 -0.605592 0.283789 0.182686 -0.642781 -0.409748 30O 3py -0.239011 -0.695032 0.893469 -0.599224 0.528085 -0.477039 30O 1dz2 0.001800 -0.002024 0.000910 0.001488 0.004026 -0.005683 30O 1dxz -0.004583 -0.002320 0.001724 0.000889 -0.003094 0.000304 30O 1dyz -0.007886 -0.004526 0.002120 0.000093 -0.000281 0.000580 30O 1dx2y2 -0.000240 -0.001002 -0.001072 -0.002650 0.003015 0.000782 30O 1dxy 0.001818 0.003549 -0.004155 0.001397 0.001304 0.004970 30O 2dz2 -0.004005 -0.007993 -0.000796 0.037417 0.015317 0.033880 30O 2dxz -0.001359 0.001487 -0.031435 0.035247 0.011994 0.055987 30O 2dyz -0.011911 0.019630 0.056530 -0.024185 -0.070615 0.026003 30O 2dx2y2 0.005376 -0.009903 -0.016540 0.011882 -0.005479 -0.001919 30O 2dxy -0.017228 0.003456 0.020500 0.002577 -0.012930 -0.002976 30O 1f0 0.000402 0.000455 -0.000279 -0.000970 -0.003216 -0.003707 30O 1f+1 -0.000189 -0.001114 -0.001175 -0.000054 -0.000424 0.002949 30O 1f-1 0.000292 -0.000534 -0.001053 -0.000991 -0.002501 0.002363 30O 1f+2 0.001447 0.001344 -0.000344 -0.001076 -0.001226 0.003170 30O 1f-2 0.000542 0.002128 0.001114 0.000766 0.000494 0.004077 30O 1f+3 -0.001667 0.000870 0.002045 -0.003804 -0.000243 -0.001387 30O 1f-3 0.000187 0.002315 0.000165 0.000636 -0.000258 0.004420 31O 1s 0.007109 0.008925 0.001372 -0.007447 -0.012933 0.004604 31O 2s 0.014071 0.019590 0.001233 -0.016635 -0.025270 0.011233 31O 3s 0.035089 0.010130 0.033695 -0.005675 -0.077813 -0.017555 31O 4s -0.573143 -0.539976 -0.222457 0.364636 0.977417 -0.200730 31O 5s 2.450108 2.109235 0.731566 -0.522226 -2.238674 1.136826 31O 1pz 0.003580 -0.003660 -0.032662 -0.055342 0.006773 -0.025728 31O 1px -0.003373 0.015223 -0.018154 0.012322 -0.030902 -0.005899 31O 1py -0.008076 0.003516 0.019240 0.058040 -0.009474 -0.024307 31O 2pz 0.017127 0.051193 -0.081998 -0.112282 -0.060879 -0.086955 31O 2px -0.038812 -0.019950 0.002295 -0.021622 -0.097242 -0.080397 31O 2py -0.052539 0.027316 0.063490 0.118335 0.064624 -0.015554 31O 3pz 0.671401 0.089140 0.635044 0.610802 0.094317 0.417089 31O 3px -0.646223 -0.611112 -0.296193 0.147039 0.655867 -0.392752 31O 3py -0.284124 -0.703958 -0.839875 -0.648250 -0.520770 -0.534977 31O 1dz2 -0.001746 0.002098 0.001006 -0.001595 0.003799 0.005762 31O 1dxz 0.004694 0.002296 0.001783 -0.000638 -0.003126 -0.000311 31O 1dyz 0.007696 0.004481 0.002080 -0.000023 -0.000226 -0.000539 31O 1dx2y2 0.000219 0.001026 -0.001271 0.002476 0.003109 -0.000699 31O 1dxy -0.002100 -0.003646 -0.003970 -0.001757 0.001438 -0.005025 31O 2dz2 0.004409 0.008482 0.002260 -0.038021 0.014224 -0.032924 31O 2dxz 0.002403 -0.001199 -0.029095 -0.037052 0.011882 -0.057076 31O 2dyz 0.013242 -0.019714 0.055027 0.030777 -0.068094 -0.025727 31O 2dx2y2 -0.004925 0.010452 -0.016222 -0.012719 -0.006870 0.000634 31O 2dxy 0.017081 -0.003573 0.021431 -0.000902 -0.013017 0.003864 31O 1f0 0.000475 0.000432 0.000377 -0.001081 0.003269 -0.003557 31O 1f+1 -0.000137 -0.001085 0.001131 0.000031 0.000358 0.002927 31O 1f-1 0.000312 -0.000493 0.001081 -0.000992 0.002395 0.002421 31O 1f+2 0.001289 0.001301 0.000442 -0.001127 0.001146 0.003185 31O 1f-2 0.000452 0.002153 -0.001172 0.000658 -0.000578 0.004008 31O 1f+3 -0.001696 0.000868 -0.001720 -0.003912 0.000132 -0.001488 31O 1f-3 0.000075 0.002312 -0.000207 0.000595 0.000178 0.004394 32O 1s -0.001819 -0.005235 -0.001689 -0.002564 -0.004786 0.002675 32O 2s -0.005472 -0.011870 -0.002843 -0.007787 -0.006878 0.006768 32O 3s 0.025063 -0.000005 -0.016722 0.036208 -0.069173 -0.012799 32O 4s -0.059146 0.233701 0.174198 -0.089388 0.595937 -0.049539 32O 5s 0.190591 -0.555872 -0.462952 0.245128 -1.488146 0.126444 32O 1pz -0.001244 -0.021724 0.009459 -0.021703 0.000777 0.002075 32O 1px 0.034259 0.027651 -0.011711 0.033572 -0.014975 -0.015677 32O 1py 0.020463 0.002822 -0.009556 -0.000245 0.000005 0.011757 32O 2pz -0.014062 -0.025778 -0.008134 0.024449 -0.048086 0.016652 32O 2px 0.023336 0.057835 0.023896 0.012206 0.115697 -0.003307 32O 2py -0.004444 -0.001141 0.000119 -0.019497 -0.030768 0.014652 32O 3pz 0.015319 -0.061880 0.187666 0.020007 0.220411 0.019773 32O 3px -0.120867 -0.319198 -0.069273 0.053929 -0.548549 0.064200 32O 3py 0.113142 -0.047775 -0.086083 0.133331 -0.099508 -0.054471 32O 1dz2 -0.000886 0.001075 0.002190 -0.000977 0.001180 0.000469 32O 1dxz -0.000116 0.001358 0.000447 -0.000808 0.000943 -0.000426 32O 1dyz 0.000478 0.000481 -0.001565 0.000253 -0.000289 -0.000602 32O 1dx2y2 -0.001415 -0.000471 0.000461 -0.001818 0.002916 0.000427 32O 1dxy -0.000438 0.000080 -0.000439 -0.000373 -0.000703 -0.000412 32O 2dz2 -0.024169 -0.031373 0.049274 -0.000161 0.023010 0.028976 32O 2dxz 0.004998 0.061268 -0.032332 -0.039036 -0.065931 -0.051455 32O 2dyz 0.028246 0.012525 -0.041953 0.028047 -0.020983 -0.019949 32O 2dx2y2 -0.025900 0.006173 0.015138 -0.079266 0.094090 0.007118 32O 2dxy -0.052612 -0.002220 0.067516 -0.064506 0.004824 0.004705 32O 1f0 0.000064 -0.000421 -0.000751 0.000468 -0.002010 0.000431 32O 1f+1 -0.000166 -0.001337 0.001022 0.001021 0.002319 0.000953 32O 1f-1 0.000145 -0.001377 -0.000766 0.001825 -0.000226 0.001139 32O 1f+2 0.000278 0.001249 -0.000295 -0.001204 0.000665 -0.001616 32O 1f-2 0.000920 0.001697 -0.001395 -0.001670 -0.002125 -0.001026 32O 1f+3 -0.000557 -0.000447 0.001045 0.001279 0.001292 0.000331 32O 1f-3 0.000851 0.000015 -0.000920 0.001697 -0.000491 0.000518 33O 1s -0.007893 0.006936 -0.000871 0.012338 -0.007395 -0.002171 33O 2s -0.017563 0.014333 -0.001406 0.025886 -0.014141 -0.005043 33O 3s -0.000630 0.025171 -0.012517 0.033670 -0.049000 -0.002432 33O 4s 0.462659 -0.512828 0.100248 -0.822661 0.622306 0.138054 33O 5s -2.116882 2.037313 -0.198815 2.692848 -1.599269 -0.464020 33O 1pz -0.032815 0.003142 -0.002833 0.015648 -0.014412 0.023396 33O 1px 0.001743 0.008882 0.011993 -0.036089 -0.018232 -0.007351 33O 1py -0.025178 0.001583 -0.001968 0.015622 -0.004022 -0.013744 33O 2pz -0.073062 0.035361 -0.022563 0.129395 -0.137267 0.071089 33O 2px 0.051851 -0.004128 0.017665 -0.099638 0.000530 -0.002940 33O 2py -0.058390 -0.039787 0.002931 0.061644 -0.046934 -0.025469 33O 3pz -0.691755 0.398697 0.099457 -0.502882 0.825567 -0.234863 33O 3px 0.721692 -0.685480 -0.256721 -0.591863 0.307913 0.059976 33O 3py 0.300039 0.360428 0.519894 -0.222376 0.458771 -0.121280 33O 1dz2 0.003263 -0.002289 0.003961 0.000201 -0.000482 -0.000099 33O 1dxz -0.005080 0.004402 0.000970 0.003021 0.000155 -0.000795 33O 1dyz 0.000636 -0.004366 -0.004542 -0.005731 -0.000667 0.003118 33O 1dx2y2 0.003826 -0.001285 -0.000026 -0.003216 0.000464 -0.000675 33O 1dxy 0.002351 0.001761 0.004279 0.001119 0.000481 -0.002793 33O 2dz2 0.018966 0.004419 0.042165 0.032168 0.015339 -0.018290 33O 2dxz 0.029677 -0.002404 0.013144 -0.039195 -0.002786 -0.022528 33O 2dyz -0.022838 -0.008948 -0.043122 -0.002173 0.022154 0.004073 33O 2dx2y2 -0.000660 0.006352 0.024629 0.010752 -0.008925 -0.005430 33O 2dxy 0.003648 0.004045 -0.006192 -0.015751 -0.017311 -0.008053 33O 1f0 0.002108 0.001116 -0.001035 -0.003158 0.000853 0.000691 33O 1f+1 -0.001032 -0.002382 -0.001533 -0.000084 0.000640 0.000729 33O 1f-1 -0.000599 -0.001764 -0.001226 -0.003601 -0.002971 0.000145 33O 1f+2 -0.003930 0.001526 -0.001283 0.004057 -0.001850 0.001201 33O 1f-2 -0.000586 0.000115 -0.001595 0.000165 -0.000790 0.001968 33O 1f+3 -0.001856 0.001013 0.001388 0.002704 -0.002573 0.000734 33O 1f-3 -0.000755 -0.000544 -0.001617 -0.000186 -0.001109 0.001644 34O 1s -0.004500 0.003138 -0.006450 -0.000774 -0.006590 0.009871 34O 2s -0.009288 0.008661 -0.012679 -0.003281 -0.012014 0.020707 34O 3s -0.019591 -0.032251 -0.038823 0.028910 -0.055343 0.028942 34O 4s 0.282442 -0.059287 0.487119 -0.070947 0.630670 -0.693099 34O 5s -0.171244 0.937793 -1.041485 0.058635 -1.813152 2.401817 34O 1pz -0.003182 0.049627 0.008098 0.007163 0.010442 0.020723 34O 1px -0.010008 0.015344 0.014753 0.045663 -0.030885 0.028346 34O 1py -0.027567 -0.009924 -0.044475 -0.049048 0.040766 -0.010971 34O 2pz -0.055875 0.077123 -0.038979 0.007702 0.021074 0.036397 34O 2px -0.018364 0.056867 0.055187 0.026937 -0.126705 0.094966 34O 2py -0.011704 0.019747 -0.037520 -0.127780 0.157747 -0.020516 34O 3pz 0.305117 -0.232106 0.254784 -0.039033 0.544469 -0.150116 34O 3px 0.641481 0.842610 -0.457048 -0.033885 0.267627 0.608045 34O 3py -0.391723 -0.326253 0.182491 0.296474 -0.941964 0.284653 34O 1dz2 0.000190 0.003311 -0.001938 0.001239 -0.000076 0.002418 34O 1dxz 0.002015 -0.000529 -0.001834 0.004128 -0.005809 -0.003194 34O 1dyz -0.001834 0.000782 -0.000141 -0.000476 0.000440 0.004117 34O 1dx2y2 -0.001395 -0.003659 0.002038 0.000466 -0.001208 -0.005729 34O 1dxy 0.000526 -0.000184 0.000063 0.001631 -0.001038 0.000498 34O 2dz2 -0.005539 0.012950 -0.026727 -0.001946 0.006153 -0.044935 34O 2dxz -0.005380 0.003596 -0.019210 0.005632 0.002412 -0.018517 34O 2dyz -0.019023 -0.029577 -0.049209 0.035918 0.026169 0.017051 34O 2dx2y2 0.011329 0.039608 -0.022248 -0.042100 -0.013597 -0.000155 34O 2dxy 0.017630 -0.023555 -0.009705 0.031169 -0.020214 -0.023788 34O 1f0 0.000532 -0.000663 0.001128 0.000901 -0.001824 0.003063 34O 1f+1 -0.001088 -0.001855 -0.001156 0.002893 0.002094 -0.002831 34O 1f-1 -0.000199 0.001095 0.000006 -0.001216 -0.000562 -0.001686 34O 1f+2 -0.002755 -0.000792 0.000189 -0.001574 0.004158 -0.000391 34O 1f-2 -0.000926 -0.001057 0.000680 -0.000740 0.001477 0.001566 34O 1f+3 0.000976 -0.004108 -0.000281 0.005393 0.000618 -0.004326 34O 1f-3 0.000322 -0.001574 0.001394 -0.002208 0.001192 0.000269 35O 1s -0.002219 0.001798 -0.002188 -0.003574 -0.010524 -0.004230 35O 2s -0.006122 0.004207 -0.004435 -0.004717 -0.020172 -0.009393 35O 3s 0.026771 -0.005599 -0.012691 -0.067207 -0.070850 -0.006627 35O 4s 0.063971 -0.107079 0.114559 0.498070 0.903592 0.219018 35O 5s -1.063034 1.245877 0.247939 -1.557259 -2.402612 -0.561656 35O 1pz 0.018520 0.043878 0.029886 0.013716 -0.005205 -0.037722 35O 1px 0.043736 0.023819 0.051891 -0.017315 0.002688 -0.026265 35O 1py -0.003176 -0.003313 -0.027885 -0.030176 -0.004237 -0.007062 35O 2pz 0.088395 0.024418 0.053746 -0.009144 -0.093966 -0.061667 35O 2px 0.012239 0.065503 0.148381 0.003573 -0.035246 -0.025117 35O 2py -0.049040 -0.032452 -0.098630 -0.092082 -0.094274 0.024566 35O 3pz -0.399366 0.232886 0.049040 0.081736 0.870567 -0.021775 35O 3px -0.956326 0.890757 -0.015393 -0.256739 -0.326232 -0.280323 35O 3py -0.355517 0.635468 0.033623 -0.010070 0.546148 0.030687 35O 1dz2 -0.002586 0.004016 -0.001381 -0.002093 -0.001182 0.000444 35O 1dxz -0.000599 -0.000056 -0.004214 0.000289 -0.001755 0.003041 35O 1dyz 0.000734 -0.000767 -0.003976 0.003698 0.001132 0.000140 35O 1dx2y2 -0.000488 -0.004248 -0.006082 -0.002260 0.002116 0.007135 35O 1dxy 0.005454 -0.002199 0.004600 0.007860 0.001259 -0.002007 35O 2dz2 0.029330 0.024905 -0.004671 -0.001153 -0.000719 -0.024091 35O 2dxz -0.003655 -0.001517 -0.008773 -0.013915 0.002227 0.014495 35O 2dyz -0.028367 -0.008626 0.014419 0.028430 0.041277 0.010320 35O 2dx2y2 -0.037796 0.018296 -0.007474 0.038867 -0.009696 0.030092 35O 2dxy -0.025651 0.014441 0.027652 0.064680 -0.004549 0.000331 35O 1f0 -0.001333 -0.000671 0.001178 -0.000838 -0.000237 -0.001193 35O 1f+1 0.004655 0.000041 0.000206 -0.004660 0.000948 -0.002218 35O 1f-1 0.001835 0.001259 -0.000125 -0.000555 -0.001058 -0.001424 35O 1f+2 0.000882 -0.001457 0.001946 0.000036 0.001975 0.000459 35O 1f-2 0.000557 -0.000830 -0.001238 0.000863 -0.000196 0.000294 35O 1f+3 0.000722 -0.003085 -0.003621 -0.005017 0.002048 0.000601 35O 1f-3 0.004926 -0.000126 0.000005 -0.005401 0.002279 -0.003228 276 277 278 279 280 281 1.04078 1.04494 1.06366 1.06874 1.07707 1.08472 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s 0.001268 -0.003002 -0.000435 -0.000791 -0.000091 -0.000520 0Rh 2s -0.004387 0.007648 0.002549 0.003087 0.000127 0.001715 0Rh 3s 0.004707 -0.012827 -0.000975 -0.002723 -0.000454 -0.001981 0Rh 4s 0.020017 -0.033233 -0.012119 -0.014225 -0.000487 -0.007730 0Rh 5s -0.011656 -0.014188 0.017978 0.011803 -0.001723 0.002716 0Rh 6s -0.071560 0.274316 -0.003745 0.037214 0.010924 0.037598 0Rh 7s 0.084375 -1.363441 -0.087679 -0.169092 -0.042613 -0.141433 0Rh 8s -0.301950 -0.026602 0.524081 -0.298736 -0.097308 -0.179523 0Rh 1pz 0.009743 0.008065 -0.004615 0.001638 0.004951 0.009741 0Rh 1px 0.007319 0.000630 -0.006403 -0.001199 0.001535 0.004253 0Rh 1py -0.007674 0.013880 -0.011735 -0.009607 0.003880 -0.010546 0Rh 2pz -0.033085 -0.027084 0.015688 -0.005270 -0.016759 -0.033409 0Rh 2px -0.024770 -0.002233 0.021902 0.004087 -0.005254 -0.014682 0Rh 2py 0.026111 -0.046562 0.039981 0.032570 -0.013239 0.036007 0Rh 3pz 0.012900 0.004162 -0.006066 -0.004065 0.005104 0.019423 0Rh 3px 0.007400 0.003598 -0.011806 -0.001813 0.002888 0.010585 0Rh 3py -0.011191 0.006125 -0.017765 -0.011422 0.006176 -0.017633 0Rh 4pz 0.125606 0.129139 -0.062262 0.046213 0.070957 0.099539 0Rh 4px 0.107670 -0.008931 -0.069334 -0.015493 0.016548 0.034637 0Rh 4py -0.095575 0.226137 -0.145525 -0.127085 0.047171 -0.120568 0Rh 5pz -0.158801 -0.177353 0.100007 -0.095874 -0.107007 -0.050908 0Rh 5px -0.185303 0.072648 0.069424 0.029718 -0.017525 0.006016 0Rh 5py 0.124041 -0.317127 0.192838 0.120433 -0.059199 0.081303 0Rh 6pz 0.050339 0.604404 -0.541079 0.847123 0.462883 -1.831245 0Rh 6px 1.431528 -1.162712 0.236630 -0.212982 -0.005393 -1.175807 0Rh 6py -0.262301 0.957928 -0.330042 1.107328 -0.122694 1.972716 0Rh 1dz2 0.027344 0.004183 -0.030535 0.015346 -0.021905 -0.031789 0Rh 1dxz 0.009769 0.040348 -0.013578 -0.008269 -0.008041 0.050485 0Rh 1dyz -0.006772 0.014271 0.002921 0.011088 0.028944 0.029806 0Rh 1dx2y2 -0.005392 -0.020041 -0.009059 -0.003781 -0.012676 0.035258 0Rh 1dxy -0.005482 -0.000092 -0.001434 -0.040769 -0.000509 -0.048784 0Rh 2dz2 -0.004419 0.000808 0.005178 -0.003274 0.005590 0.008260 0Rh 2dxz -0.003922 -0.008536 0.004271 0.003120 0.000564 -0.012677 0Rh 2dyz 0.001752 -0.003015 -0.002777 -0.002620 -0.004982 -0.007209 0Rh 2dx2y2 0.000205 0.002410 0.000400 -0.000478 0.002657 -0.009368 0Rh 2dxy 0.003144 -0.000507 0.001142 0.009963 0.000123 0.012591 0Rh 3dz2 -0.038729 -0.012093 0.042801 -0.018647 0.022865 0.032409 0Rh 3dxz -0.004007 -0.049069 0.010678 0.004508 0.014645 -0.053642 0Rh 3dyz 0.006607 -0.017271 0.005938 -0.012333 -0.040750 -0.032807 0Rh 3dx2y2 0.009794 0.031964 0.017829 0.009990 0.015705 -0.035070 0Rh 3dxy -0.001760 0.002361 -0.001267 0.044141 0.000348 0.049997 0Rh 4dz2 -0.089684 0.009586 0.098290 -0.059067 0.100101 0.145126 0Rh 4dxz -0.063516 -0.151044 0.072362 0.050437 0.016860 -0.221344 0Rh 4dyz 0.036279 -0.053731 -0.051524 -0.046593 -0.086188 -0.124364 0Rh 4dx2y2 0.017628 0.046388 0.010159 -0.003225 0.050164 -0.161915 0Rh 4dxy 0.049330 -0.010392 0.007393 0.174871 0.006815 0.219666 0Rh 5dz2 0.214153 -0.138136 -0.145958 0.142684 -0.359059 -0.436923 0Rh 5dxz 0.235009 0.269975 -0.230811 -0.168996 -0.028193 0.610260 0Rh 5dyz -0.199231 0.100141 0.417106 0.124496 -0.002784 0.297940 0Rh 5dx2y2 -0.147156 0.080017 0.057391 0.052613 -0.154202 0.470263 0Rh 5dxy -0.219107 0.102924 0.092380 -0.471457 -0.099733 -0.630563 0Rh 1f0 -0.017767 -0.009857 0.004788 0.003109 -0.009429 -0.017991 0Rh 1f+1 -0.009007 -0.023982 0.006160 0.001441 -0.005581 -0.026180 0Rh 1f-1 -0.002867 -0.006614 0.012300 -0.006635 -0.007128 0.000050 0Rh 1f+2 0.017455 -0.003986 -0.014376 -0.010814 0.004700 -0.000755 0Rh 1f-2 0.018047 -0.008463 0.001411 0.002262 0.007398 0.018130 0Rh 1f+3 -0.003499 -0.003173 -0.005889 -0.014883 -0.002537 -0.019765 0Rh 1f-3 0.019653 -0.016721 0.022642 0.018951 -0.010764 0.015943 1Rh 1s -0.001212 -0.003030 0.000290 -0.000809 0.000162 -0.000513 1Rh 2s 0.004254 0.007775 -0.002086 0.003189 -0.000378 0.001680 1Rh 3s -0.004468 -0.012914 0.000413 -0.002763 0.000712 -0.001962 1Rh 4s -0.019445 -0.033826 0.010034 -0.014707 0.001630 -0.007563 1Rh 5s 0.012043 -0.013556 -0.017292 0.012510 0.001046 0.002508 1Rh 6s 0.066174 0.275248 0.013850 0.037110 -0.015113 0.037449 1Rh 7s -0.058045 -1.366387 0.034302 -0.173206 0.065058 -0.137499 1Rh 8s 0.298537 -0.018085 -0.532863 -0.276778 0.090375 -0.195945 1Rh 1pz 0.009418 -0.008086 -0.004890 -0.001536 0.004953 -0.009733 1Rh 1px 0.007263 -0.000526 -0.006299 0.001407 0.001478 -0.004267 1Rh 1py -0.007745 -0.013392 -0.011871 0.010090 0.003839 0.010442 1Rh 2pz -0.031999 0.027154 0.016585 0.004933 -0.016780 0.033381 1Rh 2px -0.024582 0.001881 0.021552 -0.004797 -0.005066 0.014734 1Rh 2py 0.026351 0.044897 0.040418 -0.034212 -0.013112 -0.035654 1Rh 3pz 0.012862 -0.004153 -0.005616 0.004007 0.005370 -0.019386 1Rh 3px 0.007392 -0.003484 -0.011756 0.002176 0.002888 -0.010671 1Rh 3py -0.011265 -0.005353 -0.017374 0.012079 0.006369 0.017512 1Rh 4pz 0.119954 -0.129500 -0.069059 -0.044057 0.070015 -0.099533 1Rh 4px 0.106560 0.010428 -0.067460 0.017827 0.015467 -0.034580 1Rh 4py -0.096624 -0.220209 -0.149598 0.133352 0.045633 0.119117 1Rh 5pz -0.150588 0.177648 0.112675 0.091664 -0.104991 0.050831 1Rh 5px -0.182618 -0.075242 0.065121 -0.032196 -0.015399 -0.006320 1Rh 5py 0.125684 0.309149 0.201422 -0.128821 -0.055916 -0.079150 1Rh 6pz 0.014643 -0.608478 -0.631584 -0.811274 0.449617 1.834993 1Rh 6px 1.397713 1.182425 0.272508 0.209930 -0.021615 1.181025 1Rh 6py -0.264502 -0.936478 -0.422479 -1.097446 -0.142871 -1.980424 1Rh 1dz2 -0.027737 0.002904 0.031935 0.013873 0.021803 -0.031503 1Rh 1dxz -0.009745 0.040197 0.013124 -0.008834 0.007547 0.050529 1Rh 1dyz 0.007134 0.013990 -0.002087 0.011308 -0.028671 0.029896 1Rh 1dx2y2 0.006364 -0.020062 0.007856 -0.004229 0.013135 0.035181 1Rh 1dxy 0.005606 0.000093 -0.000110 -0.040818 -0.000400 -0.048691 1Rh 2dz2 0.004535 0.001068 -0.005460 -0.002999 -0.005583 0.008191 1Rh 2dxz 0.003886 -0.008529 -0.004080 0.003272 -0.000461 -0.012687 1Rh 2dyz -0.001760 -0.003005 0.002633 -0.002744 0.004915 -0.007214 1Rh 2dx2y2 -0.000366 0.002344 -0.000245 -0.000446 -0.002737 -0.009331 1Rh 2dxy -0.003105 -0.000514 -0.000755 0.010003 0.000120 0.012565 1Rh 3dz2 0.039063 -0.010493 -0.044562 -0.016685 -0.022678 0.032094 1Rh 3dxz 0.004110 -0.048797 -0.010515 0.005060 -0.014034 -0.053692 1Rh 3dyz -0.007343 -0.016714 -0.007087 -0.012260 0.040455 -0.032978 1Rh 3dx2y2 -0.011158 0.032299 -0.015949 0.010816 -0.016333 -0.035066 1Rh 3dxy 0.001326 0.002015 0.002901 0.044099 0.000552 0.049905 1Rh 4dz2 0.091640 0.014312 -0.103391 -0.053986 -0.099940 0.143913 1Rh 4dxz 0.062883 -0.150605 -0.069230 0.053146 -0.015013 -0.221574 1Rh 4dyz -0.036524 -0.053611 0.048773 -0.048898 0.084995 -0.124480 1Rh 4dx2y2 -0.020591 0.045391 -0.007032 -0.002486 -0.051663 -0.161278 1Rh 4dxy -0.048798 -0.010969 -0.000744 0.175093 -0.002666 0.219292 1Rh 5dz2 -0.219697 -0.148584 0.155573 0.133618 0.359961 -0.433783 1Rh 5dxz -0.230293 0.267242 0.217524 -0.177592 0.024645 0.611413 1Rh 5dyz 0.193550 0.106460 -0.412640 0.141334 0.006520 0.297020 1Rh 5dx2y2 0.149051 0.086464 -0.058327 0.053917 0.155754 0.467427 1Rh 5dxy 0.213418 0.107728 -0.109182 -0.467619 0.088070 -0.630290 1Rh 1f0 -0.017291 0.009823 0.004477 -0.003165 -0.008948 0.018037 1Rh 1f+1 -0.008680 0.024142 0.006257 -0.001506 -0.005684 0.026055 1Rh 1f-1 -0.002559 0.006020 0.013131 0.006008 -0.006985 0.000008 1Rh 1f+2 0.017197 0.004570 -0.013600 0.011441 0.004579 0.000669 1Rh 1f-2 0.017737 0.008027 0.001871 -0.002233 0.007339 -0.018018 1Rh 1f+3 -0.003509 0.003685 -0.005169 0.015077 -0.002766 0.019581 1Rh 1f-3 0.019621 0.016224 0.022443 -0.019871 -0.011312 -0.015795 2C 1s -0.001661 0.003727 0.002512 0.001625 -0.001835 -0.000040 2C 2s -0.002349 0.009425 0.002845 0.002965 -0.002641 0.000136 2C 3s -0.059318 -0.000470 0.117587 0.029139 -0.060885 -0.007443 2C 4s 0.411569 -0.259205 -0.795903 -0.232477 0.449739 0.032251 2C 5s -0.750833 -3.600807 2.315906 -0.742813 -1.699168 -0.684428 2C 1pz 0.019221 -0.015464 -0.004692 -0.009300 0.044957 -0.020407 2C 1px -0.013109 -0.012712 -0.004510 -0.010666 -0.013867 0.008897 2C 1py 0.028007 -0.065535 -0.066724 -0.030981 -0.025723 0.023010 2C 2pz 0.432769 0.054181 -0.398070 0.068380 0.583043 -0.067926 2C 2px -0.008524 -0.308936 0.186464 -0.026468 -0.226376 0.018248 2C 2py 0.021702 -0.292413 -0.671110 -0.515335 -0.086062 0.199669 2C 3pz -0.106520 -0.701428 0.481831 -0.308023 -0.069356 -0.252975 2C 3px -0.171137 -0.678155 0.021072 -0.274911 -0.142082 0.037861 2C 3py 0.134970 -0.713177 -0.101898 0.014450 -0.406088 0.126684 2C 1dz2 0.007394 0.004041 0.005139 0.004453 -0.002084 0.001758 2C 1dxz 0.002281 -0.005623 -0.003335 -0.002158 -0.000775 0.000927 2C 1dyz -0.007652 0.000053 0.002746 -0.001960 -0.004669 -0.000749 2C 1dx2y2 0.004126 -0.005109 0.000841 -0.002123 -0.004463 0.000834 2C 1dxy 0.001732 0.000503 0.005900 0.005275 0.004683 0.000324 2C 2dz2 -0.208079 -0.108682 -0.363361 -0.463559 0.007752 0.057380 2C 2dxz -0.145596 0.104896 -0.760666 -0.423607 0.126487 0.141911 2C 2dyz 0.354809 -0.199448 -0.236256 0.014365 0.064664 0.089812 2C 2dx2y2 -0.476215 -0.366478 -0.054485 -0.457402 -0.527862 0.157372 2C 2dxy 0.303049 0.340760 0.296377 0.457221 0.565385 -0.229420 2C 1f0 -0.025013 -0.021131 -0.023274 -0.032437 -0.030327 0.013737 2C 1f+1 0.006441 0.002420 0.016089 0.011533 0.008491 -0.005953 2C 1f-1 0.014078 0.004728 -0.016452 0.002964 0.023037 -0.003319 2C 1f+2 -0.007309 0.010195 -0.008736 -0.003500 0.006777 -0.000373 2C 1f-2 -0.008751 -0.003755 -0.015087 -0.013277 -0.008492 0.005336 2C 1f+3 -0.006538 -0.009671 -0.028478 -0.024341 -0.012084 0.012033 2C 1f-3 0.006946 -0.008796 0.014471 0.004983 -0.005599 -0.000547 3C 1s -0.004449 0.000786 -0.001792 0.001450 -0.000256 0.000860 3C 2s -0.006705 0.003712 -0.002436 0.002472 -0.001098 0.001892 3C 3s -0.134611 -0.091352 -0.077455 0.028270 0.019899 0.026432 3C 4s 0.946681 0.390236 0.516695 -0.218116 -0.081882 -0.187509 3C 5s -2.533675 -2.454320 -1.495885 -0.827266 -0.367512 -0.340865 3C 1pz 0.018897 0.020856 0.048716 -0.007623 -0.000371 -0.010450 3C 1px -0.049271 0.061184 0.017981 -0.023104 0.044454 -0.026075 3C 1py -0.065724 0.039634 0.003759 0.009192 0.034778 0.001962 3C 2pz 0.438835 0.253744 0.280430 -0.375874 0.081724 -0.055128 3C 2px 0.120986 0.468892 -0.000075 -0.231083 0.442024 -0.074614 3C 2py -0.797743 -0.107717 -0.368809 -0.028912 0.260065 0.115830 3C 3pz -0.137223 0.001282 -0.017821 0.246411 0.060164 -0.111666 3C 3px -0.813381 0.260156 0.296940 -0.277944 0.226286 -0.215656 3C 3py 0.158819 0.763512 0.419227 0.393294 0.345596 0.036151 3C 1dz2 0.003852 0.000188 -0.007329 -0.005542 0.006248 0.000880 3C 1dxz 0.002339 -0.005465 -0.002760 0.002210 -0.006442 -0.000125 3C 1dyz 0.002803 0.001042 0.007562 -0.001088 -0.003685 -0.001653 3C 1dx2y2 0.004571 0.000303 -0.001965 -0.001451 0.000339 0.001546 3C 1dxy 0.005640 -0.005195 -0.001394 0.003457 -0.001225 -0.001135 3C 2dz2 -0.224903 0.181652 0.107641 0.170673 0.144712 -0.045516 3C 2dxz 0.449299 -0.477138 0.268977 0.386135 -0.723995 0.001162 3C 2dyz -0.342964 -0.275160 -0.247545 -0.270766 0.051169 0.107829 3C 2dx2y2 -0.481592 -0.307557 0.024324 0.540123 -0.326009 -0.019998 3C 2dxy -0.161403 -0.269435 -0.278245 0.272862 -0.106055 0.067484 3C 1f0 -0.017845 -0.021222 -0.007665 0.025527 -0.019276 0.003180 3C 1f+1 -0.012866 0.012993 0.000622 0.004132 0.011748 -0.001818 3C 1f-1 -0.009283 0.008778 -0.013291 -0.020165 0.023539 0.003144 3C 1f+2 -0.005713 0.002660 -0.007029 -0.001300 0.009771 0.004951 3C 1f-2 0.000740 -0.011629 -0.002334 -0.001761 -0.008903 0.001201 3C 1f+3 0.022534 -0.012463 0.006308 0.014715 -0.025392 -0.000938 3C 1f-3 0.000366 -0.019054 -0.001379 0.005895 -0.016624 0.003514 4C 1s -0.001434 -0.004182 0.006029 -0.004362 -0.003914 0.001135 4C 2s -0.006377 -0.011550 0.020854 -0.010445 -0.012832 0.002771 4C 3s 0.198945 0.070276 -0.427167 -0.027353 0.260097 -0.002641 4C 4s -1.141010 -0.337942 2.224920 0.443728 -1.299278 -0.111015 4C 5s 0.352235 2.172269 -1.071509 1.062946 0.792240 0.199066 4C 1pz 0.071287 0.001246 -0.091707 0.029334 0.095556 -0.018849 4C 1px -0.010437 0.023595 0.046788 -0.029038 -0.059585 0.020561 4C 1py -0.013574 -0.020332 -0.084059 -0.058484 0.007357 0.012019 4C 2pz 0.298049 -0.210239 -0.245525 -0.021410 0.203085 0.010876 4C 2px -0.012665 0.101079 -0.202875 -0.198222 0.040654 0.165674 4C 2py 0.036003 -0.069992 -0.269475 -0.167951 0.120862 0.061198 4C 3pz -0.267800 -2.754449 1.182676 0.051996 -0.956943 -0.531158 4C 3px 0.266173 0.598325 -0.276399 0.173835 0.143621 -0.076552 4C 3py -0.369898 -1.518729 0.708508 -0.741997 -0.528705 -0.385327 4C 1dz2 0.006855 0.001361 -0.004911 -0.000685 -0.000633 0.004374 4C 1dxz 0.005850 0.003424 -0.011935 0.004121 0.011758 -0.004650 4C 1dyz -0.001585 -0.001986 0.001831 -0.002023 0.000359 0.000003 4C 1dx2y2 -0.003876 -0.002918 0.015739 0.005101 -0.004522 -0.002826 4C 1dxy 0.000327 -0.001288 0.000628 0.005532 -0.002500 0.002165 4C 2dz2 -0.396906 0.023216 -0.046132 -0.176342 -0.202092 0.067686 4C 2dxz -0.207709 0.030473 0.133658 -0.103444 0.064324 -0.133896 4C 2dyz 0.079558 0.153866 0.414368 0.316952 0.021315 -0.172778 4C 2dx2y2 -0.187836 0.079895 -0.045273 -0.061630 0.188450 -0.168288 4C 2dxy -0.068259 -0.012045 -0.264338 -0.082507 -0.350361 0.352683 4C 1f0 0.014492 0.005953 -0.007037 0.005710 0.011202 0.001710 4C 1f+1 0.011764 -0.002073 -0.008347 -0.003987 0.010303 -0.004076 4C 1f-1 0.013235 0.004559 -0.021716 -0.001282 0.018819 -0.003748 4C 1f+2 -0.005281 -0.003180 0.027563 0.009702 -0.011992 -0.005083 4C 1f-2 0.000209 -0.000782 -0.007549 -0.007681 -0.002140 0.008291 4C 1f+3 0.001962 -0.002994 -0.000047 0.000094 -0.003837 0.004934 4C 1f-3 0.001595 -0.003241 -0.013763 -0.000600 0.006161 -0.001911 5C 1s -0.010121 -0.001604 -0.004587 -0.004225 -0.004125 -0.000197 5C 2s -0.032766 -0.007668 -0.014811 -0.010335 -0.010457 0.000155 5C 3s 0.594867 0.175712 0.274998 -0.010617 0.038314 -0.042263 5C 4s -2.826920 -1.091642 -1.276625 0.387500 0.118779 0.228240 5C 5s 1.884224 1.334950 0.850688 1.084533 0.807374 0.626998 5C 1pz 0.084847 0.016148 0.051809 -0.049044 0.002259 -0.026791 5C 1px 0.054633 0.054343 -0.057102 0.012222 0.099681 0.072320 5C 1py -0.126043 -0.001208 -0.078985 -0.007545 0.022028 0.021065 5C 2pz 0.319768 0.100872 0.133311 -0.165207 0.005954 -0.187300 5C 2px 0.182541 0.191128 -0.084042 0.053303 0.089544 0.421447 5C 2py -0.492788 -0.252303 -0.361217 0.097113 0.065950 0.201492 5C 3pz -0.889094 -1.167612 -0.471961 -0.912365 -0.115115 -0.021354 5C 3px 0.170854 -0.980457 -0.667225 0.143608 -0.190160 0.305097 5C 3py 1.394134 1.554777 0.613980 -0.000250 0.068658 0.152144 5C 1dz2 0.011760 0.001460 -0.000337 -0.005354 -0.000615 0.005104 5C 1dxz 0.006878 0.006401 0.008127 -0.003094 0.000339 -0.006931 5C 1dyz 0.003523 -0.004399 0.002497 -0.000569 -0.001623 -0.003400 5C 1dx2y2 -0.015580 -0.010950 -0.004547 -0.000390 -0.003327 -0.005153 5C 1dxy -0.007956 0.002424 -0.003191 0.003167 0.008456 0.009668 5C 2dz2 0.056436 -0.150006 0.212185 0.176645 -0.390637 -0.063195 5C 2dxz -0.407697 0.211856 0.138300 0.109316 0.277995 -0.026188 5C 2dyz 0.305006 0.092347 -0.046043 -0.258730 0.057729 -0.001458 5C 2dx2y2 0.135308 0.238123 0.239031 0.134056 0.006685 -0.034306 5C 2dxy 0.019658 0.244455 0.274249 -0.047567 0.169219 -0.182199 5C 1f0 -0.007169 -0.010444 -0.012031 0.002768 -0.001422 0.009314 5C 1f+1 0.009703 0.002028 0.007813 -0.002924 0.003347 -0.010607 5C 1f-1 -0.006658 0.000561 0.001190 0.006448 -0.000460 0.004869 5C 1f+2 -0.028802 -0.004426 -0.007725 0.003038 0.004374 0.000082 5C 1f-2 -0.029025 -0.014215 -0.007641 0.001976 -0.009279 -0.011465 5C 1f+3 0.026743 0.010556 0.017656 -0.004748 0.000145 -0.004994 5C 1f-3 -0.024539 0.004447 -0.015418 -0.000979 0.009281 0.007135 6C 1s 0.010156 -0.001926 0.004345 -0.004383 0.004261 -0.000086 6C 2s 0.032934 -0.008673 0.014146 -0.010879 0.010785 0.000474 6C 3s -0.599787 0.192218 -0.273239 0.002651 -0.036714 -0.045866 6C 4s 2.850114 -1.162296 1.277077 0.320467 -0.135720 0.241448 6C 5s -1.909638 1.387648 -0.786029 1.094486 -0.833557 0.606802 6C 1pz 0.084077 -0.020390 0.053016 0.047061 0.002600 0.027656 6C 1px 0.053595 -0.052649 -0.058021 -0.010382 0.097933 -0.072915 6C 1py -0.126673 0.004523 -0.078326 0.011408 0.022585 -0.022203 6C 2pz 0.318974 -0.106716 0.134105 0.157445 0.001299 0.189744 6C 2px 0.179328 -0.197314 -0.085649 -0.051442 0.080454 -0.422323 6C 2py -0.488144 0.264378 -0.355676 -0.081299 0.074914 -0.204456 6C 3pz -0.906395 1.187146 -0.411190 0.942192 -0.125308 0.016888 6C 3px 0.148444 1.005462 -0.635111 -0.117551 -0.191493 -0.314655 6C 3py 1.444374 -1.592526 0.585184 -0.039037 0.083591 -0.142434 6C 1dz2 -0.011867 0.001664 -0.000009 -0.005357 0.000595 0.005060 6C 1dxz -0.006905 0.006843 -0.008031 -0.002706 -0.000308 -0.007021 6C 1dyz -0.003419 -0.004235 -0.002634 -0.000398 0.001534 -0.003439 6C 1dx2y2 0.015755 -0.011223 0.004298 -0.000688 0.003251 -0.005086 6C 1dxy 0.008094 0.002176 0.003378 0.003035 -0.008274 0.009704 6C 2dz2 -0.058830 -0.152009 -0.211417 0.184218 0.388951 -0.063182 6C 2dxz 0.416226 0.214824 -0.127246 0.112996 -0.273132 -0.024203 6C 2dyz -0.308647 0.097291 0.037403 -0.255648 -0.051263 -0.001806 6C 2dx2y2 -0.133951 0.244119 -0.225589 0.141473 -0.004642 -0.035761 6C 2dxy -0.015308 0.256397 -0.265869 -0.037551 -0.165174 -0.184895 6C 1f0 -0.007076 0.010724 -0.011649 -0.002251 -0.001324 -0.009433 6C 1f+1 0.009738 -0.002475 0.007891 0.002524 0.003274 0.010655 6C 1f-1 -0.006597 -0.000335 0.000907 -0.006447 -0.000595 -0.004934 6C 1f+2 -0.028912 0.005084 -0.007769 -0.002587 0.004370 -0.000265 6C 1f-2 -0.029227 0.015103 -0.007626 -0.001489 -0.008903 0.011361 6C 1f+3 0.027127 -0.011203 0.017760 0.003857 -0.000115 0.005114 6C 1f-3 -0.024920 -0.003782 -0.015638 0.001774 0.009257 -0.007281 7C 1s 0.001608 -0.004261 -0.006467 -0.004085 0.004104 0.001138 7C 2s 0.006865 -0.011652 -0.021915 -0.009555 0.013302 0.002772 7C 3s -0.201012 0.065811 0.426337 -0.041394 -0.259220 -0.002193 7C 4s 1.159109 -0.295660 -2.190562 0.507728 1.290273 -0.113600 7C 5s -0.410522 2.207170 1.217283 1.006873 -0.839324 0.196950 7C 1pz 0.071769 0.000230 -0.091938 -0.026893 0.094389 0.018859 7C 1px -0.010541 -0.027833 0.048091 0.026899 -0.058606 -0.019615 7C 1py -0.011636 0.021596 -0.080182 0.061781 0.007451 -0.012597 7C 2pz 0.304975 0.212922 -0.228300 0.025203 0.191974 -0.009702 7C 2px -0.011131 -0.100985 -0.185840 0.204256 0.046046 -0.166346 7C 2py 0.040525 0.075790 -0.250497 0.175004 0.118191 -0.061962 7C 3pz -0.317742 2.751201 1.269980 -0.074458 -1.008399 0.534454 7C 3px 0.247109 -0.601276 -0.317590 -0.150892 0.125155 0.062160 7C 3py -0.412416 1.522463 0.794836 0.719669 -0.562798 0.383710 7C 1dz2 -0.006976 0.001394 0.004733 -0.000869 0.000532 0.004347 7C 1dxz -0.005834 0.003011 0.012185 0.003741 -0.011555 -0.004616 7C 1dyz 0.001685 -0.002100 -0.002054 -0.001923 -0.000321 -0.000013 7C 1dx2y2 0.004182 -0.002669 -0.015485 0.005530 0.004655 -0.002849 7C 1dxy -0.000283 -0.001288 -0.000233 0.005417 0.002618 0.002228 7C 2dz2 0.396699 0.014626 0.046207 -0.183496 0.197598 0.072000 7C 2dxz 0.215384 0.031872 -0.142403 -0.095718 -0.066530 -0.135780 7C 2dyz -0.075411 0.163957 -0.389007 0.331251 -0.024638 -0.175723 7C 2dx2y2 0.189549 0.072410 0.037192 -0.059549 -0.189061 -0.168720 7C 2dxy 0.056746 -0.011387 0.264583 -0.100508 0.339512 0.354795 7C 1f0 0.014167 -0.005860 -0.007370 -0.005563 0.010837 -0.001703 7C 1f+1 0.011409 0.001799 -0.007936 0.004061 0.010201 0.004232 7C 1f-1 0.013510 -0.004312 -0.021467 0.001700 0.018474 0.003757 7C 1f+2 -0.005327 0.002628 0.027123 -0.010689 -0.011916 0.005271 7C 1f-2 0.000516 0.000659 -0.006729 0.007823 -0.001868 -0.008206 7C 1f+3 0.002206 0.002745 0.000035 -0.000089 -0.003835 -0.004866 7C 1f-3 0.001390 0.003451 -0.013990 0.001213 0.005885 0.001819 8C 1s 0.004452 0.000652 0.001912 0.001345 0.000140 0.000882 8C 2s 0.006742 0.003469 0.002751 0.002318 0.000855 0.001925 8C 3s 0.134581 -0.094324 0.075135 0.024667 -0.020776 0.027229 8C 4s -0.944934 0.414543 -0.512060 -0.193011 0.093094 -0.193390 8C 5s 2.578917 -2.532476 1.412765 -0.896360 0.390118 -0.317450 8C 1pz 0.016092 -0.024523 0.049056 0.006325 -0.000080 0.010767 8C 1px -0.050434 -0.061221 0.017543 0.022419 0.042609 0.025439 8C 1py -0.067061 -0.040460 0.002061 -0.008632 0.036302 -0.001898 8C 2pz 0.427966 -0.282663 0.291571 0.363024 0.082823 0.059923 8C 2px 0.120135 -0.472101 -0.003029 0.231111 0.429648 0.073181 8C 2py -0.805475 0.117706 -0.363042 0.049264 0.270326 -0.119714 8C 3pz -0.155970 -0.004129 -0.027114 -0.242872 0.063321 0.110213 8C 3px -0.826303 -0.261674 0.293742 0.268946 0.207776 0.213530 8C 3py 0.160213 -0.784810 0.384222 -0.407488 0.356917 -0.030646 8C 1dz2 -0.003861 0.000135 0.007088 -0.005703 -0.006152 0.000884 8C 1dxz -0.002428 -0.005561 0.002789 0.002229 0.006398 -0.000153 8C 1dyz -0.002649 0.001312 -0.007617 -0.000799 0.003728 -0.001717 8C 1dx2y2 -0.004710 0.000332 0.001938 -0.001505 -0.000268 0.001528 8C 1dxy -0.005641 -0.005314 0.001430 0.003483 0.001253 -0.001107 8C 2dz2 0.229925 0.178593 -0.096683 0.173756 -0.140125 -0.043938 8C 2dxz -0.455138 -0.478983 -0.264715 0.406493 0.720095 -0.003176 8C 2dyz 0.349982 -0.273150 0.227735 -0.277868 -0.060313 0.106980 8C 2dx2y2 0.475435 -0.325172 -0.005992 0.534677 0.318531 -0.017443 8C 2dxy 0.155170 -0.290324 0.284250 0.262243 0.103395 0.069941 8C 1f0 -0.017479 0.022407 -0.008435 -0.025051 -0.018802 -0.003345 8C 1f+1 -0.012459 -0.012790 0.000083 -0.003594 0.011597 0.001642 8C 1f-1 -0.009696 -0.009210 -0.012591 0.020834 0.023686 -0.003152 8C 1f+2 -0.005899 -0.002532 -0.007067 0.001798 0.009848 -0.005050 8C 1f-2 0.000850 0.011582 -0.001866 0.001579 -0.008757 -0.001139 8C 1f+3 0.023118 0.012507 0.005978 -0.015137 -0.025180 0.001006 8C 1f-3 0.000426 0.019288 -0.000987 -0.006164 -0.016433 -0.003411 9C 1s 0.001599 0.003771 -0.002277 0.001703 0.001707 -0.000040 9C 2s 0.002134 0.009464 -0.002391 0.003086 0.002362 0.000145 9C 3s 0.060942 0.002072 -0.113274 0.032549 0.059705 -0.007637 9C 4s -0.418701 -0.275248 0.758912 -0.258415 -0.437132 0.033141 9C 5s 0.862463 -3.601025 -2.471457 -0.666165 1.783401 -0.684223 9C 1pz 0.017132 0.016695 -0.002404 0.008510 0.043113 0.020410 9C 1px -0.013941 0.009513 -0.002032 0.010206 -0.012397 -0.007489 9C 1py 0.029634 0.066128 -0.064215 0.035380 -0.026341 -0.023622 9C 2pz 0.428803 -0.047765 -0.386107 -0.065362 0.570378 0.070625 9C 2px -0.005296 0.294755 0.207556 0.012258 -0.217997 -0.012135 9C 2py 0.036815 0.308264 -0.635026 0.543065 -0.088471 -0.204856 9C 3pz -0.137520 0.704370 0.525846 0.283424 -0.094612 0.251554 9C 3px -0.175242 0.669996 0.076344 0.265796 -0.127494 -0.023903 9C 3py 0.131517 0.728154 -0.079396 0.005943 -0.421971 -0.128261 9C 1dz2 -0.007390 0.004315 -0.004666 0.004669 0.002100 0.001705 9C 1dxz -0.002558 -0.005725 0.003141 -0.002309 0.000639 0.000949 9C 1dyz 0.007671 0.000060 -0.002777 -0.001930 0.004569 -0.000714 9C 1dx2y2 -0.004238 -0.004891 -0.000860 -0.002270 0.004451 0.000866 9C 1dxy -0.001635 0.000451 -0.005813 0.005557 -0.004528 0.000295 9C 2dz2 0.202691 -0.122368 0.327760 -0.471146 -0.006374 0.059839 9C 2dxz 0.136020 0.085831 0.747645 -0.455226 -0.127195 0.148691 9C 2dyz -0.355790 -0.197317 0.233091 -0.002394 -0.059533 0.090197 9C 2dx2y2 0.478262 -0.369698 0.037682 -0.480970 0.525389 0.164629 9C 2dxy -0.279116 0.337788 -0.274908 0.472133 -0.546049 -0.232556 9C 1f0 -0.024596 0.021672 -0.021709 0.034244 -0.030003 -0.014209 9C 1f+1 0.005542 -0.002434 0.015942 -0.012030 0.007564 0.006028 9C 1f-1 0.013963 -0.004233 -0.016137 -0.002803 0.022535 0.003354 9C 1f+2 -0.006910 -0.009639 -0.008535 0.003403 0.006760 0.000254 9C 1f-2 -0.008304 0.003971 -0.014694 0.014062 -0.008076 -0.005514 9C 1f+3 -0.005988 0.010037 -0.027643 0.025786 -0.011812 -0.012366 9C 1f-3 0.006613 0.008315 0.013958 -0.004808 -0.005779 0.000467 10H 1s -0.011364 -0.006697 0.014863 -0.005430 -0.025715 0.004445 10H 2s 0.254714 0.655203 -0.593249 0.083997 0.755231 -0.080395 10H 3s 0.099091 0.215396 -0.035181 0.139531 0.048491 0.016296 10H 1pz 0.010166 0.026772 -0.053076 -0.004685 0.034873 0.001240 10H 1px -0.012353 -0.044240 0.026676 -0.007577 -0.043950 0.005290 10H 1py 0.007874 0.017967 0.002018 0.012665 0.030556 -0.010472 11H 1s -0.003559 -0.015232 -0.036173 -0.015429 -0.019297 0.010661 11H 2s 0.525424 0.171439 0.773918 0.796388 0.451769 -0.291686 11H 3s -0.137524 0.027704 -0.341814 -0.322840 0.175679 0.035193 11H 1pz 0.039986 0.010382 0.057882 0.054487 0.018462 -0.016860 11H 1px 0.034748 0.011305 0.045482 0.040770 0.031723 -0.018142 11H 1py -0.010057 0.008411 -0.017869 -0.016556 -0.007170 0.006985 12H 1s 0.007885 0.018981 0.028758 0.033971 0.039866 -0.020963 12H 2s -0.460893 -0.667678 -0.785526 -0.964689 -0.819124 0.436262 12H 3s 0.276369 0.206443 -0.269139 0.270044 0.201481 0.113607 12H 1pz -0.009832 0.013014 0.007090 0.000561 0.000772 -0.001372 12H 1px -0.015874 -0.022301 -0.027357 -0.027697 -0.029432 0.016669 12H 1py -0.050465 -0.041262 -0.049803 -0.084916 -0.064676 0.034922 13H 1s -0.025323 0.016413 -0.008128 0.004357 0.030457 0.006791 13H 2s 0.650225 -0.473558 0.282882 -0.028849 -0.611907 0.093390 13H 3s 0.365448 0.196312 -0.066537 0.189332 0.043507 -0.006607 13H 1pz 0.038658 -0.035719 0.009446 -0.004884 -0.042358 -0.001642 13H 1px -0.022236 0.016705 -0.011306 0.004848 0.018927 -0.004587 13H 1py -0.017292 0.005857 -0.016720 0.017307 0.011715 0.006152 14H 1s 0.015209 -0.039848 -0.006903 0.021645 -0.044475 -0.001098 14H 2s -0.108618 0.952717 -0.036011 -0.745963 1.057227 -0.042408 14H 3s -0.045371 0.220465 0.375813 0.282047 -0.060289 -0.029969 14H 1pz -0.004026 0.037217 -0.009197 -0.043504 0.051750 0.009230 14H 1px 0.008743 0.057162 -0.013825 -0.051307 0.077270 0.003393 14H 1py -0.014450 0.006625 0.011670 0.002720 -0.007454 -0.007210 15H 1s -0.010669 0.011951 0.009269 -0.010878 0.015987 -0.005661 15H 2s 0.212549 -0.222556 0.102024 0.705594 -0.462698 -0.038668 15H 3s 0.167501 -0.002904 0.031108 -0.350629 -0.018394 0.069514 15H 1pz -0.007861 0.017865 -0.001592 -0.024547 0.023262 0.001501 15H 1px 0.019997 -0.014179 0.001240 0.019280 -0.022648 0.005946 15H 1py -0.007678 0.003894 -0.019143 -0.056322 0.027541 0.001831 16H 1s -0.001462 0.009752 0.014826 -0.001144 -0.013884 0.005974 16H 2s -0.049075 -0.251273 0.112381 -0.039638 -0.033158 -0.017293 16H 3s -0.046189 0.011814 -0.087305 0.124451 0.002339 -0.068394 16H 1pz -0.033242 -0.004677 -0.027503 -0.007783 0.009026 -0.011736 16H 1px -0.000847 0.041017 -0.052964 0.001186 0.025614 -0.028112 16H 1py 0.063782 -0.036040 0.031553 0.025594 0.012608 0.005687 17H 1s -0.000463 -0.001233 -0.005240 0.000815 0.011077 -0.005860 17H 2s 0.080938 -0.141987 0.058066 -0.023677 0.042426 -0.027128 17H 3s -0.062113 0.203402 -0.102867 0.072983 0.033658 0.257365 17H 1pz 0.058515 -0.036969 0.051233 0.019069 -0.010530 -0.033145 17H 1px -0.073732 -0.016767 -0.004185 -0.008824 -0.008309 0.034453 17H 1py -0.010021 -0.061843 0.060826 0.013837 -0.033407 0.021188 18H 1s 0.000558 -0.001929 0.004759 0.000672 -0.010844 -0.005418 18H 2s -0.072306 -0.140330 -0.064146 -0.022167 -0.036853 -0.028931 18H 3s 0.063469 0.205644 0.108815 0.065254 -0.028808 0.258764 18H 1pz 0.058526 0.033136 0.049105 -0.021123 -0.009240 0.033541 18H 1px -0.072689 0.019062 -0.002026 0.009750 -0.008627 -0.035224 18H 1py -0.008335 0.061985 0.063493 -0.016423 -0.033461 -0.020684 19H 1s 0.001310 0.010586 -0.014821 -0.000519 0.014347 0.005885 19H 2s 0.048758 -0.254421 -0.124409 -0.035703 0.038623 -0.018275 19H 3s 0.043242 0.009361 0.091499 0.123901 -0.004023 -0.060792 19H 1pz -0.033731 0.006375 -0.027641 0.009747 0.008917 0.012054 19H 1px -0.003821 -0.041125 -0.055601 0.000589 0.024288 0.027119 19H 1py 0.060815 0.032546 0.029054 -0.027109 0.012804 -0.005499 20H 1s 0.011863 0.013292 -0.009568 -0.010831 -0.016575 -0.005819 20H 2s -0.235727 -0.252027 -0.073358 0.709906 0.472427 -0.035421 20H 3s -0.165024 0.006667 -0.048959 -0.345595 0.021961 0.067829 20H 1pz -0.008636 -0.019147 -0.000822 0.024701 0.023779 -0.001349 20H 1px 0.020560 0.014902 0.000784 -0.019538 -0.022762 -0.005915 20H 1py -0.009096 -0.005344 -0.016575 0.056776 0.027909 -0.001603 21H 1s -0.016198 -0.040708 0.006903 0.021555 0.043910 -0.001178 21H 2s 0.127656 0.976772 0.024988 -0.753021 -1.044808 -0.040324 21H 3s 0.048005 0.226923 -0.355651 0.298958 0.063422 -0.032717 21H 1pz -0.004306 -0.038443 -0.008236 0.044428 0.051514 -0.009229 21H 1px 0.007630 -0.058539 -0.012942 0.051784 0.076247 -0.003378 21H 1py -0.014632 -0.006707 0.011374 -0.002987 -0.007496 0.007075 22H 1s 0.025085 0.015667 0.008634 0.003830 -0.029847 0.007075 22H 2s -0.643428 -0.448858 -0.301245 -0.007803 0.597535 0.084538 22H 3s -0.372556 0.195657 0.077313 0.184243 -0.047714 -0.006427 22H 1pz 0.038415 0.034702 0.010779 0.003528 -0.041588 0.002123 22H 1px -0.022005 -0.015586 -0.012215 -0.004016 0.018435 0.004249 22H 1py -0.016753 -0.004751 -0.017639 -0.016146 0.011459 -0.006506 23H 1s -0.006904 0.018941 -0.026933 0.035549 -0.039304 -0.021219 23H 2s 0.429780 -0.675728 0.731745 -1.012284 0.799819 0.445119 23H 3s -0.285753 0.202930 0.281714 0.260062 -0.204944 0.109273 23H 1pz -0.009859 -0.013370 0.006827 -0.001504 0.001132 0.001440 23H 1px -0.014058 0.022549 -0.025537 0.028338 -0.028210 -0.016774 23H 1py -0.048917 0.042310 -0.045368 0.087878 -0.063678 -0.035832 24H 1s 0.002399 -0.016361 0.036029 -0.017968 0.019067 0.011281 24H 2s -0.505595 0.198718 -0.750644 0.841112 -0.447769 -0.306734 24H 3s 0.129324 0.020571 0.322838 -0.330764 -0.183929 0.035314 24H 1pz 0.038891 -0.012683 0.055396 -0.057348 0.018111 0.017720 24H 1px 0.033895 -0.012288 0.044950 -0.043906 0.031267 0.019161 24H 1py -0.008957 -0.007660 -0.017252 0.017004 -0.006846 -0.007041 25H 1s 0.011500 -0.005237 -0.015238 -0.005215 0.024745 0.004113 25H 2s -0.258115 0.628861 0.617404 0.069502 -0.740832 -0.073840 25H 3s -0.105411 0.215866 0.055011 0.132791 -0.047609 0.020810 25H 1pz 0.010972 -0.025561 -0.053433 0.006132 0.034559 -0.001586 25H 1px -0.012223 0.043194 0.028135 0.007467 -0.043079 -0.005127 25H 1py 0.007765 -0.017350 0.001301 -0.013554 0.029854 0.010589 26O 1s 0.001469 0.003983 -0.009065 0.003063 0.004323 0.001556 26O 2s 0.004545 0.009163 -0.019903 0.005522 0.009137 0.003609 26O 3s -0.025667 -0.002651 -0.010673 0.027491 0.008570 0.001004 26O 4s 0.023973 -0.180702 0.537953 -0.284783 -0.281263 -0.072692 26O 5s 0.186059 0.513241 -1.296619 0.751145 0.903079 -0.040575 26O 1pz -0.002497 -0.058260 0.017434 0.027590 -0.046924 0.008840 26O 1px -0.008249 -0.012354 0.018006 -0.018708 -0.048950 0.026559 26O 1py -0.039110 -0.028854 0.065165 -0.030493 0.009737 -0.039610 26O 2pz 0.001780 -0.144511 0.067831 -0.001873 -0.109208 -0.009668 26O 2px -0.021653 -0.110528 0.047258 -0.033240 -0.111822 0.045543 26O 2py -0.074509 -0.082909 0.125305 -0.066188 -0.030340 -0.026126 26O 3pz 0.067539 0.947043 -0.800712 0.148674 0.414155 0.375266 26O 3px -0.308648 0.518531 0.056370 0.078425 -0.116883 0.207060 26O 3py 0.088649 0.679977 -0.300779 0.414658 0.474855 -0.318138 26O 1dz2 0.000455 -0.001330 -0.000762 -0.002867 -0.000879 0.000425 26O 1dxz 0.002555 -0.000639 -0.004337 -0.000645 -0.001964 0.003079 26O 1dyz 0.000543 0.001510 0.001501 0.000642 -0.001437 0.001285 26O 1dx2y2 -0.000344 -0.000510 -0.000679 -0.001930 -0.005905 0.004789 26O 1dxy -0.002329 0.002662 0.003616 0.000738 0.002696 -0.004745 26O 2dz2 -0.082506 0.011187 0.011264 -0.060740 -0.000568 -0.027731 26O 2dxz -0.004867 -0.036380 -0.029113 -0.014259 0.007352 -0.000957 26O 2dyz 0.058808 0.052519 -0.006363 0.020216 -0.009369 0.036707 26O 2dx2y2 -0.014529 0.008880 -0.035042 -0.025968 0.009966 -0.001595 26O 2dxy 0.003410 0.006131 -0.026149 0.000244 0.050677 -0.051579 26O 1f0 -0.003800 -0.000264 0.000542 -0.003545 -0.001202 -0.001221 26O 1f+1 0.002221 0.000388 -0.003280 0.000754 0.002278 -0.000106 26O 1f-1 0.001524 -0.000186 -0.002828 -0.000298 0.000756 0.000589 26O 1f+2 0.000637 0.001105 -0.000961 0.000816 0.000677 0.000427 26O 1f-2 -0.000308 -0.002197 -0.002414 -0.000915 0.000914 -0.001051 26O 1f+3 0.000072 0.000843 -0.003183 -0.000747 0.003498 -0.002927 26O 1f-3 0.002621 0.002392 -0.004357 -0.000998 0.001173 0.000626 27O 1s 0.001817 0.006407 0.004699 -0.001243 -0.001499 -0.006067 27O 2s 0.005986 0.011596 0.009713 -0.000382 -0.003106 -0.009541 27O 3s -0.044188 0.056967 0.013462 -0.045464 -0.004269 -0.077436 27O 4s 0.078943 -0.598702 -0.352507 0.316496 0.091905 0.739528 27O 5s 0.252786 1.202059 1.317733 -1.045606 -0.379889 -2.583037 27O 1pz 0.027159 -0.021967 -0.036282 -0.052857 -0.027287 -0.025413 27O 1px 0.004253 0.038989 -0.034975 0.009415 0.030620 0.067750 27O 1py 0.018951 -0.025743 -0.010040 -0.005670 -0.051167 0.051019 27O 2pz 0.082717 -0.120633 -0.090282 -0.062564 -0.020963 0.004241 27O 2px -0.062554 0.037855 -0.106467 0.005594 0.055456 0.143731 27O 2py 0.012259 0.013198 0.033791 -0.018812 -0.096443 -0.001438 27O 3pz 0.199202 0.288495 0.380970 0.102441 -0.296767 -0.220086 27O 3px -0.337710 -0.187874 -0.219434 0.321581 0.099694 0.113623 27O 3py 0.028588 -0.514576 -0.426563 -0.010589 0.017670 0.356647 27O 1dz2 -0.000176 0.000529 0.001972 0.000629 -0.001865 -0.002054 27O 1dxz 0.008000 -0.004662 -0.003591 -0.000550 -0.005254 0.000406 27O 1dyz -0.002671 0.001023 0.003633 -0.002660 0.000487 -0.004515 27O 1dx2y2 -0.000487 -0.002894 -0.003056 0.002234 -0.000084 0.000377 27O 1dxy -0.000506 -0.003018 -0.001254 -0.001647 -0.003690 0.000687 27O 2dz2 -0.080665 0.002337 0.047342 0.051781 -0.000659 -0.015827 27O 2dxz 0.009929 -0.022587 0.006009 0.010061 -0.025164 -0.002492 27O 2dyz -0.025935 0.060715 -0.009947 -0.070087 -0.006569 -0.071880 27O 2dx2y2 0.052199 -0.011451 0.062066 0.014291 -0.002358 -0.064964 27O 2dxy -0.026692 0.018511 -0.049907 -0.009661 -0.012308 0.025534 27O 1f0 -0.004437 0.001321 -0.000484 0.002232 0.000647 0.000788 27O 1f+1 0.005449 0.001281 0.001726 -0.000997 0.002346 0.000593 27O 1f-1 -0.000019 0.001811 -0.001478 -0.002388 0.000133 -0.000676 27O 1f+2 0.004521 0.000763 -0.000348 -0.000598 -0.001678 -0.001423 27O 1f-2 -0.001102 0.002192 -0.000748 0.001554 0.000077 0.000970 27O 1f+3 0.007966 0.000813 0.004695 0.001080 0.001514 -0.002868 27O 1f-3 -0.001963 -0.001150 0.001413 0.000107 -0.002092 -0.003016 28O 1s 0.003293 0.011321 -0.004941 -0.000145 0.001843 0.002454 28O 2s 0.006989 0.020797 -0.011581 0.001484 0.004640 0.004232 28O 3s 0.007655 0.092116 0.011862 -0.032136 -0.011431 0.025339 28O 4s -0.219526 -0.978109 0.264486 0.219795 -0.080165 -0.269360 28O 5s 0.642208 2.496197 -1.516462 -1.094503 0.677312 0.940015 28O 1pz 0.030930 0.026899 -0.004768 0.030965 0.064990 -0.031465 28O 1px -0.006438 0.016535 0.013396 -0.024058 0.005663 0.011240 28O 1py 0.001142 0.001581 -0.062468 -0.055508 -0.027945 0.051011 28O 2pz 0.063841 -0.028190 -0.004239 0.110651 0.117158 -0.056604 28O 2px 0.035899 -0.011087 -0.074295 -0.038325 0.068354 0.036733 28O 2py -0.042643 -0.090784 -0.150038 -0.132658 -0.026461 0.030298 28O 3pz -0.172778 -0.050613 0.536398 -0.181395 -0.332222 -0.090603 28O 3px -0.019267 0.595203 -0.325347 -0.268638 0.182449 -0.046622 28O 3py 0.153792 0.388522 0.088344 0.296114 -0.202013 0.514691 28O 1dz2 0.002260 0.002453 0.003921 0.002326 0.004700 -0.003864 28O 1dxz 0.000258 0.003258 -0.003323 -0.001456 -0.000375 0.001870 28O 1dyz -0.002920 -0.000164 -0.004297 0.001298 -0.002966 0.002302 28O 1dx2y2 0.000233 -0.002345 0.001247 0.000458 -0.000552 0.000619 28O 1dxy 0.002830 0.000868 0.004403 0.003594 0.004324 -0.005723 28O 2dz2 -0.033838 -0.027710 -0.044494 -0.019922 -0.011975 0.020528 28O 2dxz -0.034028 -0.008721 0.020871 0.013633 -0.054816 0.024548 28O 2dyz 0.027731 -0.070887 -0.024747 0.030121 0.028023 -0.014306 28O 2dx2y2 -0.027446 0.009523 -0.088071 -0.024838 -0.011309 0.055335 28O 2dxy 0.018812 -0.029387 0.015823 0.019803 0.033870 -0.041599 28O 1f0 0.002975 0.000501 -0.003124 0.001836 0.003669 -0.000810 28O 1f+1 -0.000847 -0.000743 -0.004845 -0.000052 0.001357 0.001208 28O 1f-1 -0.000074 -0.002327 -0.002811 -0.002398 0.000660 0.001175 28O 1f+2 -0.002860 0.000887 0.007913 0.001516 -0.005398 0.000380 28O 1f-2 0.001779 0.000462 0.001243 0.002601 0.003262 -0.002607 28O 1f+3 0.000139 -0.000911 0.004726 0.002032 -0.002088 -0.001600 28O 1f-3 0.001641 -0.000080 0.001342 0.000970 0.002333 -0.002390 29O 1s -0.005363 0.003440 -0.000599 -0.001287 0.000568 -0.000808 29O 2s -0.012240 0.004832 0.000025 -0.003927 0.001043 -0.002442 29O 3s 0.000857 0.051686 -0.026254 0.019548 0.005513 0.011408 29O 4s 0.236067 -0.444596 0.173392 -0.049053 -0.053507 -0.023010 29O 5s -0.559028 1.140220 -0.408129 0.139029 0.106365 0.056921 29O 1pz 0.010972 0.007348 -0.002363 -0.001143 -0.005433 0.000682 29O 1px -0.020068 -0.013784 0.012439 -0.002207 -0.004679 0.004176 29O 1py -0.003213 -0.013888 0.000352 0.004066 0.005661 0.011023 29O 2pz 0.029975 -0.027341 -0.018201 -0.001290 0.030193 -0.010805 29O 2px -0.044905 0.083965 -0.036577 0.008161 0.014955 0.012286 29O 2py -0.014902 -0.015200 -0.015183 0.003201 0.003937 0.016902 29O 3pz -0.258212 0.004660 0.058660 -0.005508 -0.117955 0.097066 29O 3px 0.248255 -0.476469 0.222315 -0.116777 -0.109100 -0.082285 29O 3py 0.078710 -0.156077 0.081248 -0.098835 0.009467 -0.160774 29O 1dz2 0.001979 -0.002573 0.003069 0.001345 -0.000963 -0.000919 29O 1dxz 0.001502 -0.000797 0.001330 0.000289 -0.000056 0.001626 29O 1dyz -0.002428 -0.000389 0.000927 -0.000310 -0.001624 0.001329 29O 1dx2y2 -0.000947 -0.001719 0.001509 -0.000491 -0.000214 0.001509 29O 1dxy -0.000390 -0.001262 0.000566 -0.000890 -0.000824 -0.000831 29O 2dz2 0.071344 0.013870 0.016401 0.014788 0.002605 0.016134 29O 2dxz -0.022832 -0.038699 0.032897 0.010290 -0.040566 -0.010689 29O 2dyz -0.067797 0.015588 -0.015139 -0.016969 -0.022568 -0.003228 29O 2dx2y2 -0.031145 -0.096969 0.046513 -0.003410 -0.027008 -0.011582 29O 2dxy 0.052105 -0.057452 0.085010 0.033113 -0.018688 0.014857 29O 1f0 0.000722 -0.001785 -0.000778 0.000552 0.000482 -0.000468 29O 1f+1 -0.001342 -0.000375 0.000547 0.000190 -0.000354 -0.001368 29O 1f-1 0.000496 -0.002394 -0.000369 0.000436 0.001330 -0.001454 29O 1f+2 0.001213 0.002350 -0.000146 -0.000507 0.000550 0.000250 29O 1f-2 0.000161 -0.000132 0.001627 0.000401 -0.001535 0.003092 29O 1f+3 -0.001067 0.000105 -0.000469 -0.000297 -0.000411 -0.001471 29O 1f-3 0.000394 -0.000478 -0.000091 0.001531 0.000720 0.000687 30O 1s 0.010204 0.005116 -0.001314 0.003966 0.001494 0.005335 30O 2s 0.022085 0.009677 -0.001860 0.007323 0.002619 0.007702 30O 3s 0.014272 0.037518 -0.024992 0.032359 0.012828 0.081163 30O 4s -0.647381 -0.496035 0.182056 -0.334802 -0.125980 -0.699021 30O 5s 2.049122 1.555561 -0.394808 0.746352 0.229436 2.318841 30O 1pz -0.027289 -0.005761 0.029492 -0.033344 0.027689 -0.010850 30O 1px 0.006869 0.009121 -0.009733 0.010539 0.028582 0.080341 30O 1py -0.016404 0.026538 -0.018607 -0.035387 0.066929 -0.013882 30O 2pz -0.095726 -0.034765 0.015124 -0.128053 0.036734 -0.061998 30O 2px 0.058591 0.061321 0.031410 -0.039913 0.033617 0.100536 30O 2py 0.045184 0.119971 -0.080932 -0.045526 0.153784 0.079657 30O 3pz 0.110500 0.603247 0.109928 0.544429 0.331254 0.061205 30O 3px 0.371291 0.331917 -0.136132 0.172692 0.112421 0.190497 30O 3py -0.496535 -0.555027 0.365706 0.117196 -0.374424 -0.410390 30O 1dz2 -0.001678 0.005811 -0.000885 -0.000411 0.007542 0.000592 30O 1dxz 0.002043 -0.002311 -0.001334 0.000787 -0.002981 0.000700 30O 1dyz 0.004097 -0.000173 -0.003238 0.000007 -0.001689 0.003299 30O 1dx2y2 -0.000830 0.000533 -0.001555 0.000224 0.000948 -0.000798 30O 1dxy 0.002262 -0.001573 0.000497 0.000784 -0.003789 0.001604 30O 2dz2 -0.025651 0.013634 -0.009114 0.036858 -0.013584 0.023136 30O 2dxz -0.038688 0.007542 -0.008832 -0.002957 -0.063654 -0.024218 30O 2dyz -0.044180 -0.023583 -0.039428 0.010484 0.024660 0.034974 30O 2dx2y2 0.001013 0.027873 0.030167 0.014160 -0.033669 0.010216 30O 2dxy 0.049534 -0.016790 0.003787 0.015948 -0.016057 0.074695 30O 1f0 0.002954 0.001709 0.002266 -0.000921 0.000379 -0.000349 30O 1f+1 0.000747 -0.001940 0.000293 0.000916 -0.003595 0.000003 30O 1f-1 0.000001 -0.002534 0.000614 0.001814 -0.002102 -0.000746 30O 1f+2 -0.006392 -0.000495 -0.001193 0.001249 -0.000264 -0.002091 30O 1f-2 -0.006599 -0.001087 -0.003836 0.000967 0.001975 0.001325 30O 1f+3 0.000824 -0.002725 -0.000782 -0.001982 -0.000020 -0.002129 30O 1f-3 -0.006073 -0.001274 -0.003441 -0.000287 -0.000423 -0.000755 31O 1s -0.010472 0.005169 0.001548 0.003936 -0.001602 0.005304 31O 2s -0.022684 0.009872 0.002287 0.007282 -0.002840 0.007626 31O 3s -0.014374 0.035869 0.027109 0.031621 -0.013358 0.081271 31O 4s 0.661255 -0.492132 -0.204126 -0.330525 0.132703 -0.697778 31O 5s -2.093234 1.561056 0.439128 0.751117 -0.232328 2.318873 31O 1pz -0.028105 0.004462 0.030319 0.032099 0.027938 0.010876 31O 1px 0.006786 -0.009661 -0.009180 -0.010327 0.027461 -0.080297 31O 1py -0.015348 -0.026941 -0.017582 0.036140 0.066331 0.013664 31O 2pz -0.099813 0.033314 0.019802 0.127706 0.036749 0.062043 31O 2px 0.059649 -0.065111 0.033630 0.037644 0.030862 -0.100277 31O 2py 0.050414 -0.120567 -0.080164 0.049148 0.153779 -0.080262 31O 3pz 0.120009 -0.602442 0.062477 -0.543459 0.331561 -0.057268 31O 3px 0.377876 -0.334143 -0.148157 -0.173178 0.113413 -0.192612 31O 3py -0.532139 0.548955 0.373295 -0.139775 -0.386319 0.407986 31O 1dz2 0.001776 0.005916 0.001034 -0.000444 -0.007419 0.000600 31O 1dxz -0.002106 -0.002387 0.001233 0.000755 0.002928 0.000728 31O 1dyz -0.004139 -0.000270 0.003169 -0.000088 0.001699 0.003318 31O 1dx2y2 0.000881 0.000496 0.001590 0.000133 -0.000944 -0.000792 31O 1dxy -0.002353 -0.001614 -0.000525 0.000767 0.003762 0.001585 31O 2dz2 0.026352 0.012130 0.011022 0.036079 0.013910 0.023423 31O 2dxz 0.039222 0.004714 0.009267 -0.003995 0.062573 -0.023763 31O 2dyz 0.044382 -0.025341 0.039341 0.009172 -0.025378 0.035335 31O 2dx2y2 -0.001342 0.028314 -0.029316 0.015067 0.033549 0.010164 31O 2dxy -0.050075 -0.015391 -0.005352 0.016115 0.015984 0.074463 31O 1f0 0.003024 -0.001887 0.002264 0.000820 0.000374 0.000382 31O 1f+1 0.000784 0.001998 0.000317 -0.000930 -0.003556 0.000000 31O 1f-1 0.000084 0.002583 0.000612 -0.001864 -0.002061 0.000757 31O 1f+2 -0.006434 0.000643 -0.001265 -0.001152 -0.000204 0.002047 31O 1f-2 -0.006657 0.001363 -0.003886 -0.000791 0.001963 -0.001387 31O 1f+3 0.000807 0.002651 -0.000656 0.001997 0.000005 0.002142 31O 1f-3 -0.006099 0.001511 -0.003425 0.000456 -0.000385 0.000703 32O 1s 0.005250 0.003567 0.000681 -0.001298 -0.000679 -0.000842 32O 2s 0.012046 0.005147 0.000025 -0.003895 -0.001256 -0.002524 32O 3s -0.001934 0.051194 0.028860 0.018476 -0.006328 0.011457 32O 4s -0.225309 -0.447905 -0.191812 -0.042736 0.063470 -0.022180 32O 5s 0.533536 1.149763 0.455777 0.124755 -0.131635 0.056410 32O 1pz 0.011257 -0.007233 -0.002719 0.001401 -0.005967 -0.000490 32O 1px -0.020136 0.012689 0.012715 0.001791 -0.004638 -0.004020 32O 1py -0.003338 0.013979 0.000729 -0.004008 0.005392 -0.011376 32O 2pz 0.028472 0.028005 -0.017731 0.002416 0.029026 0.011121 32O 2px -0.043316 -0.084825 -0.038912 -0.006670 0.015557 -0.012968 32O 2py -0.015254 0.016321 -0.016178 -0.002468 0.004796 -0.016962 32O 3pz -0.244468 -0.003179 0.063673 0.000048 -0.114006 -0.100690 32O 3px 0.245355 0.478790 0.239609 0.106553 -0.109837 0.085311 32O 3py 0.073495 0.157968 0.097099 0.096479 0.001970 0.163928 32O 1dz2 -0.002075 -0.002460 -0.003057 0.001503 0.000957 -0.000959 32O 1dxz -0.001522 -0.000765 -0.001364 0.000328 0.000017 0.001596 32O 1dyz 0.002235 -0.000607 -0.001171 -0.000249 0.001669 0.001326 32O 1dx2y2 0.000931 -0.001671 -0.001596 -0.000422 0.000231 0.001488 32O 1dxy 0.000298 -0.001297 -0.000686 -0.000853 0.000763 -0.000810 32O 2dz2 -0.071770 0.016699 -0.015002 0.016201 -0.003809 0.016165 32O 2dxz 0.019761 -0.040037 -0.033035 0.010928 0.039204 -0.009728 32O 2dyz 0.064211 0.011202 0.011246 -0.016618 0.023542 -0.002543 32O 2dx2y2 0.030739 -0.095986 -0.047606 -0.001812 0.025468 -0.011612 32O 2dxy -0.052416 -0.056128 -0.086436 0.036669 0.018866 0.013862 32O 1f0 0.000630 0.001671 -0.000794 -0.000500 0.000432 0.000386 32O 1f+1 -0.001272 0.000375 0.000533 -0.000188 -0.000337 0.001424 32O 1f-1 0.000590 0.002472 -0.000389 -0.000438 0.001388 0.001453 32O 1f+2 0.001162 -0.002511 -0.000197 0.000491 0.000553 -0.000242 32O 1f-2 0.000161 -0.000038 0.001615 -0.000436 -0.001529 -0.003047 32O 1f+3 -0.001015 -0.000080 -0.000415 0.000328 -0.000432 0.001383 32O 1f-3 0.000302 0.000564 -0.000146 -0.001526 0.000664 -0.000730 33O 1s -0.003392 0.011138 0.005242 -0.000332 -0.001921 0.002477 33O 2s -0.007158 0.020354 0.012230 0.001021 -0.004770 0.004289 33O 3s -0.008782 0.092499 -0.011105 -0.031249 0.010500 0.025290 33O 4s 0.230512 -0.968544 -0.277806 0.226913 0.089476 -0.270934 33O 5s -0.668981 2.464555 1.513585 -1.138842 -0.713577 0.949825 33O 1pz 0.030184 -0.026688 -0.006353 -0.030902 0.064252 0.031588 33O 1px -0.006968 -0.017495 0.015009 0.022981 0.006197 -0.010998 33O 1py 0.001680 -0.000565 -0.060081 0.058702 -0.026994 -0.051552 33O 2pz 0.062465 0.029186 -0.006436 -0.111062 0.114357 0.057159 33O 2px 0.035803 0.010318 -0.068656 0.039964 0.070074 -0.036383 33O 2py -0.040758 0.093547 -0.141406 0.139565 -0.024310 -0.031678 33O 3pz -0.163006 0.043156 0.541826 0.161368 -0.321102 0.093162 33O 3px -0.024060 -0.588007 -0.328724 0.274654 0.186842 0.045000 33O 3py 0.165851 -0.391446 0.064759 -0.295972 -0.197650 -0.512487 33O 1dz2 -0.002132 0.002601 -0.003849 0.002586 -0.004643 -0.003970 33O 1dxz -0.000254 0.003201 0.003346 -0.001575 0.000362 0.001890 33O 1dyz 0.002771 -0.000137 0.004445 0.001058 0.002886 0.002303 33O 1dx2y2 -0.000282 -0.002379 -0.001274 0.000479 0.000557 0.000633 33O 1dxy -0.002713 0.000935 -0.004225 0.003845 -0.004230 -0.005778 33O 2dz2 0.034567 -0.030057 0.042228 -0.022207 0.012578 0.021087 33O 2dxz 0.033304 -0.009349 -0.020423 0.013321 0.055332 0.024865 33O 2dyz -0.028663 -0.070915 0.023845 0.028899 -0.028467 -0.014260 33O 2dx2y2 0.027282 0.006865 0.086362 -0.028430 0.010837 0.055962 33O 2dxy -0.019685 -0.028929 -0.015724 0.020633 -0.034289 -0.041807 33O 1f0 0.002950 -0.000455 -0.003130 -0.001786 0.003652 0.000830 33O 1f+1 -0.000831 0.000943 -0.004837 0.000263 0.001294 -0.001280 33O 1f-1 -0.000089 0.002401 -0.002553 0.002486 0.000669 -0.001189 33O 1f+2 -0.002936 -0.001010 0.007794 -0.001782 -0.005442 -0.000341 33O 1f-2 0.001716 -0.000465 0.001092 -0.002690 0.003232 0.002615 33O 1f+3 0.000113 0.000820 0.004576 -0.002179 -0.002123 0.001611 33O 1f-3 0.001580 0.000075 0.001273 -0.001040 0.002275 0.002393 34O 1s -0.002054 0.006675 -0.004559 -0.001089 0.001477 -0.006127 34O 2s -0.006484 0.012142 -0.009427 -0.000079 0.003082 -0.009656 34O 3s 0.043482 0.057890 -0.012711 -0.044900 0.003777 -0.077797 34O 4s -0.063354 -0.617468 0.342496 0.303383 -0.088124 0.744852 34O 5s -0.297101 1.258418 -1.310085 -0.986261 0.368225 -2.600630 34O 1pz 0.027796 0.022877 -0.033858 0.054062 -0.026647 0.025479 34O 1px 0.003798 -0.037626 -0.036150 -0.007866 0.030024 -0.068007 34O 1py 0.019602 0.025969 -0.008081 0.005873 -0.050771 -0.050953 34O 2pz 0.083036 0.122688 -0.085566 0.065128 -0.020466 -0.004069 34O 2px -0.064530 -0.033272 -0.108439 -0.000522 0.053753 -0.144784 34O 2py 0.016243 -0.014516 0.035092 0.016953 -0.095296 0.001874 34O 3pz 0.214673 -0.298225 0.376898 -0.116883 -0.289293 0.223178 34O 3px -0.345216 0.189200 -0.222130 -0.307529 0.102796 -0.115185 34O 3py 0.015331 0.534697 -0.411630 0.025515 0.014006 -0.362107 34O 1dz2 0.000154 0.000549 -0.001911 0.000717 0.001855 -0.002071 34O 1dxz -0.008197 -0.004767 0.003406 -0.000640 0.005166 0.000385 34O 1dyz 0.002646 0.001146 -0.003679 -0.002527 -0.000484 -0.004529 34O 1dx2y2 0.000510 -0.003033 0.003054 0.002115 0.000070 0.000404 34O 1dxy 0.000441 -0.003113 0.001073 -0.001660 0.003659 0.000699 34O 2dz2 0.080607 0.002208 -0.043893 0.053081 0.001378 -0.015730 34O 2dxz -0.010389 -0.022832 -0.006293 0.010260 0.024870 -0.002533 34O 2dyz 0.025213 0.060843 0.008976 -0.070314 0.006679 -0.071683 34O 2dx2y2 -0.053232 -0.010299 -0.061271 0.017284 0.002376 -0.065320 34O 2dxy 0.026676 0.017108 0.049838 -0.011747 0.011857 0.025773 34O 1f0 -0.004462 -0.001227 -0.000631 -0.002190 0.000599 -0.000822 34O 1f+1 0.005487 -0.001395 0.001760 0.000871 0.002342 -0.000566 34O 1f-1 -0.000055 -0.001834 -0.001430 0.002461 0.000143 0.000668 34O 1f+2 0.004586 -0.000791 -0.000358 0.000599 -0.001624 0.001442 34O 1f-2 -0.001091 -0.002142 -0.000879 -0.001504 0.000093 -0.000983 34O 1f+3 0.007980 -0.001013 0.004633 -0.001305 0.001485 0.002917 34O 1f-3 -0.001943 0.001114 0.001366 -0.000144 -0.002054 0.003025 35O 1s -0.001543 0.003658 0.009283 0.002763 -0.004469 0.001556 35O 2s -0.004588 0.008450 0.020384 0.004830 -0.009408 0.003622 35O 3s 0.023174 -0.003162 0.010825 0.027766 -0.009932 0.000756 35O 4s -0.008366 -0.162257 -0.549547 -0.270516 0.294324 -0.071047 35O 5s -0.209771 0.462376 1.345674 0.724092 -0.917225 -0.046486 35O 1pz -0.001220 0.057263 0.017477 -0.027806 -0.047354 -0.008739 35O 1px -0.006195 0.011496 0.020046 0.018395 -0.047470 -0.026449 35O 1py -0.038598 0.027472 0.068110 0.027212 0.009715 0.039911 35O 2pz 0.003663 0.143028 0.071135 -0.000096 -0.110977 0.009779 35O 2px -0.015642 0.109261 0.055133 0.032275 -0.106956 -0.045219 35O 2py -0.074016 0.082429 0.134491 0.059269 -0.030709 0.026499 35O 3pz 0.070163 -0.938003 -0.840649 -0.117994 0.425466 -0.379018 35O 3px -0.328176 -0.534366 0.030930 -0.072275 -0.122619 -0.208640 35O 3py 0.074900 -0.684792 -0.347265 -0.398699 0.475861 0.319457 35O 1dz2 -0.000565 -0.001410 0.000600 -0.002908 0.000808 0.000451 35O 1dxz -0.002692 -0.000692 0.004399 -0.000874 0.001944 0.003143 35O 1dyz -0.000633 0.001495 -0.001435 0.000681 0.001402 0.001323 35O 1dx2y2 0.000259 -0.000301 0.000698 -0.002093 0.005829 0.004802 35O 1dxy 0.002504 0.002692 -0.003582 0.000922 -0.002615 -0.004760 35O 2dz2 0.082292 0.009561 -0.013402 -0.060720 -0.000351 -0.027321 35O 2dxz 0.004470 -0.036561 0.027952 -0.015774 -0.007255 -0.000644 35O 2dyz -0.056753 0.052833 0.009488 0.019472 0.010309 0.036602 35O 2dx2y2 0.014387 0.008955 0.035487 -0.027512 -0.009906 -0.001415 35O 2dxy -0.001976 0.005727 0.027300 -0.000549 -0.049810 -0.051519 35O 1f0 -0.003788 0.000228 0.000689 0.003537 -0.001139 0.001223 35O 1f+1 0.002217 -0.000425 -0.003345 -0.000657 0.002215 0.000114 35O 1f-1 0.001473 0.000156 -0.002868 0.000400 0.000729 -0.000574 35O 1f+2 0.000713 -0.001033 -0.001068 -0.000746 0.000681 -0.000452 35O 1f-2 -0.000291 0.002303 -0.002330 0.001011 0.000870 0.001020 35O 1f+3 0.000044 -0.000727 -0.003165 0.000815 0.003436 0.002908 35O 1f-3 0.002617 -0.002437 -0.004401 0.001141 0.001178 -0.000604 282 283 284 285 286 287 1.08663 1.09621 1.10141 1.14424 1.14726 1.15159 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s 0.000837 0.001960 0.000464 -0.000119 -0.000259 0.001750 0Rh 2s -0.002646 -0.010272 -0.004308 0.000307 0.001086 -0.007854 0Rh 3s 0.003264 0.005136 0.000060 -0.000504 -0.000845 0.005403 0Rh 4s 0.011918 0.048569 0.020993 -0.001297 -0.005047 0.036704 0Rh 5s -0.003497 -0.065329 -0.041837 -0.001270 0.004515 -0.037316 0Rh 6s -0.060103 -0.015988 0.054275 0.014936 0.012768 -0.076597 0Rh 7s 0.210275 0.167126 -0.199814 -0.050379 -0.042880 0.029416 0Rh 8s 0.335415 0.053859 0.011714 0.097803 0.035970 -1.370479 0Rh 1pz 0.011905 -0.004960 -0.006614 -0.028378 -0.004004 -0.002634 0Rh 1px 0.002027 0.016641 0.010259 -0.010589 0.004015 -0.000927 0Rh 1py 0.004744 0.001956 0.001697 0.002492 -0.029223 0.000119 0Rh 2pz -0.040588 0.016603 0.022281 0.094332 0.013272 0.009221 0Rh 2px -0.006786 -0.056031 -0.034614 0.035178 -0.013325 0.003697 0Rh 2py -0.016664 -0.006616 -0.005609 -0.008259 0.097136 -0.000392 0Rh 3pz 0.018445 -0.001316 -0.004532 0.010231 0.002337 -0.008298 0Rh 3px 0.000325 0.011288 0.008595 0.004132 -0.001891 -0.014619 0Rh 3py 0.017796 0.001999 -0.001077 -0.001429 0.010850 -0.000401 0Rh 4pz 0.142413 -0.084069 -0.101636 -0.562449 -0.083114 -0.021820 0Rh 4px 0.036501 0.254900 0.149853 -0.210195 0.081170 0.053992 0Rh 4py 0.015321 0.027441 0.035299 0.051465 -0.581130 0.006446 0Rh 5pz -0.111808 0.121899 0.128101 0.849609 0.128483 0.063839 0Rh 5px -0.056194 -0.334850 -0.184095 0.313040 -0.123655 -0.243201 0Rh 5py 0.071085 -0.038030 -0.067060 -0.079439 0.880144 -0.034887 0Rh 6pz -1.845408 -0.304717 0.216367 -0.073812 -0.039632 -1.043340 0Rh 6px 0.106550 0.201790 -0.089919 -0.045584 -0.019626 4.503439 0Rh 6py -2.276538 0.197599 0.647647 0.019492 -0.221794 0.769108 0Rh 1dz2 -0.023625 -0.035341 0.042881 -0.016969 -0.005620 0.022394 0Rh 1dxz 0.051412 -0.019752 0.006039 0.019373 0.005061 0.017311 0Rh 1dyz -0.008754 0.009714 -0.015062 0.005757 -0.015942 0.002662 0Rh 1dx2y2 0.004573 -0.001106 0.037814 0.009729 -0.004355 -0.038260 0Rh 1dxy 0.054397 0.001464 -0.000279 -0.000786 0.021747 -0.010963 0Rh 2dz2 0.006512 0.005467 -0.008070 0.004543 0.001111 -0.005930 0Rh 2dxz -0.013028 0.002084 -0.001220 -0.005977 -0.001311 -0.003908 0Rh 2dyz 0.002357 -0.001989 0.002258 -0.001749 0.002945 -0.000794 0Rh 2dx2y2 -0.000484 0.001740 -0.005573 -0.002903 0.001503 0.009793 0Rh 2dxy -0.013984 0.000581 0.001301 0.000175 -0.007054 0.003072 0Rh 3dz2 0.022644 0.051967 -0.057489 0.017262 0.007548 -0.022383 0Rh 3dxz -0.054372 0.033037 -0.007904 -0.016443 -0.005413 -0.019828 0Rh 3dyz 0.008508 -0.012290 0.022395 -0.004897 0.022147 -0.002200 0Rh 3dx2y2 -0.007742 -0.004521 -0.056878 -0.008602 0.003047 0.039577 0Rh 3dxy -0.056532 -0.005403 -0.004893 0.000918 -0.016815 0.010199 0Rh 4dz2 0.112373 0.110334 -0.150381 0.076512 0.016998 -0.111507 0Rh 4dxz -0.228386 0.050079 -0.020961 -0.097368 -0.021807 -0.083358 0Rh 4dyz 0.042800 -0.038168 0.050874 -0.029801 0.046784 -0.016496 0Rh 4dx2y2 -0.010283 0.022198 -0.116235 -0.047827 0.022158 0.188775 0Rh 4dxy -0.241351 0.004668 0.017964 0.002533 -0.117176 0.059121 0Rh 5dz2 -0.329756 -0.261199 0.348349 -0.199647 0.006368 0.474315 0Rh 5dxz 0.670832 -0.116716 0.027081 0.253666 0.044470 0.428147 0Rh 5dyz -0.155504 0.125486 -0.195125 0.089134 0.016678 0.098261 0Rh 5dx2y2 -0.010920 -0.065752 0.312987 0.132586 -0.025349 -0.835084 0Rh 5dxy 0.657838 -0.010950 -0.076469 0.002414 0.370319 -0.282755 0Rh 1f0 -0.008140 -0.015712 -0.012518 -0.018597 0.026566 -0.025319 0Rh 1f+1 -0.019393 0.010779 0.012591 -0.008863 -0.000667 0.022107 0Rh 1f-1 0.003354 0.004002 0.000140 0.028324 0.036877 0.004309 0Rh 1f+2 0.021376 0.020428 0.004748 -0.031823 0.014428 0.037445 0Rh 1f-2 0.005613 0.007849 0.005786 -0.000903 0.014855 0.012908 0Rh 1f+3 0.003532 0.025837 0.013215 0.012896 -0.006279 0.041525 0Rh 1f-3 -0.023070 0.016043 0.008746 -0.005758 -0.001684 0.021813 1Rh 1s 0.000819 0.001945 0.000463 -0.000165 -0.000213 -0.001809 1Rh 2s -0.002586 -0.010222 -0.004307 0.000504 0.000871 0.008059 1Rh 3s 0.003195 0.005076 0.000056 -0.000652 -0.000711 -0.005618 1Rh 4s 0.011644 0.048341 0.020987 -0.002215 -0.004038 -0.037642 1Rh 5s -0.003385 -0.065247 -0.041852 -0.000410 0.003409 0.037816 1Rh 6s -0.058841 -0.014894 0.054395 0.017139 0.010998 0.080425 1Rh 7s 0.209985 0.163812 -0.201374 -0.053711 -0.044256 -0.049225 1Rh 8s 0.327579 0.053950 0.009203 0.123372 -0.003808 1.377707 1Rh 1pz -0.012024 0.004931 0.006633 0.028313 0.004121 -0.003105 1Rh 1px -0.002047 -0.016656 -0.010211 0.010547 -0.004021 -0.001159 1Rh 1py -0.004791 -0.002012 -0.001780 -0.002506 0.029203 0.000966 1Rh 2pz 0.040992 -0.016501 -0.022346 -0.094103 -0.013676 0.010782 1Rh 2px 0.006863 0.056088 0.034452 -0.035024 0.013328 0.004474 1Rh 2py 0.016825 0.006809 0.005890 0.008303 -0.097071 -0.003211 1Rh 3pz -0.018626 0.001188 0.004579 -0.010487 -0.002080 -0.008067 1Rh 3px -0.000510 -0.011444 -0.008562 -0.004529 0.002254 -0.014605 1Rh 3py -0.017890 -0.002098 0.001015 0.001446 -0.010817 -0.000663 1Rh 4pz -0.143949 0.084012 0.101819 0.562144 0.084451 -0.031397 1Rh 4px -0.036095 -0.254523 -0.149123 0.211301 -0.083073 0.049578 1Rh 4py -0.015817 -0.028089 -0.036580 -0.051729 0.580561 0.023134 1Rh 5pz 0.114511 -0.121617 -0.128477 -0.848714 -0.131453 0.078603 1Rh 5px 0.054430 0.333441 0.183167 -0.318485 0.130942 -0.236257 1Rh 5py -0.070592 0.038838 0.068761 0.079474 -0.878378 -0.060240 1Rh 6pz 1.826806 0.290483 -0.209211 0.057010 0.072164 -1.053797 1Rh 6px -0.075238 -0.182143 0.089408 0.147248 -0.109200 4.504843 1Rh 6py 2.280329 -0.199332 -0.640855 -0.010816 0.196396 0.780465 1Rh 1dz2 -0.023444 -0.035631 0.042960 -0.017474 -0.004989 -0.022375 1Rh 1dxz 0.051371 -0.019638 0.005823 0.019070 0.005615 -0.017842 1Rh 1dyz -0.009022 0.009792 -0.014875 0.005610 -0.015779 -0.003791 1Rh 1dx2y2 0.004990 -0.001028 0.037754 0.010595 -0.005457 0.038392 1Rh 1dxy 0.054437 0.001683 -0.000435 -0.000567 0.021417 0.011528 1Rh 2dz2 0.006483 0.005552 -0.008087 0.004680 0.000943 0.005876 1Rh 2dxz -0.013036 0.002037 -0.001168 -0.005913 -0.001441 0.004073 1Rh 2dyz 0.002409 -0.001985 0.002231 -0.001717 0.002917 0.000982 1Rh 2dx2y2 -0.000579 0.001721 -0.005554 -0.003119 0.001794 -0.009785 1Rh 2dxy -0.014007 0.000530 0.001334 0.000115 -0.006959 -0.003272 1Rh 3dz2 0.022380 0.052226 -0.057590 0.017753 0.006921 0.022581 1Rh 3dxz -0.054260 0.032990 -0.007657 -0.016081 -0.006027 0.020275 1Rh 3dyz 0.008861 -0.012480 0.022113 -0.004718 0.021918 0.003858 1Rh 3dx2y2 -0.008222 -0.004606 -0.056833 -0.009524 0.004145 -0.039893 1Rh 3dxy -0.056520 -0.005657 -0.004707 0.000709 -0.016520 -0.010558 1Rh 4dz2 0.111842 0.111826 -0.150643 0.079042 0.013866 0.110519 1Rh 4dxz -0.228342 0.049395 -0.020082 -0.095913 -0.024504 0.086084 1Rh 4dyz 0.043757 -0.038055 0.050395 -0.029178 0.046211 0.019503 1Rh 4dx2y2 -0.012089 0.021818 -0.115909 -0.051995 0.027746 -0.188939 1Rh 4dxy -0.241732 0.003817 0.018637 0.001347 -0.115350 -0.062548 1Rh 5dz2 -0.329495 -0.267302 0.348156 -0.210095 0.019179 -0.467606 1Rh 5dxz 0.669497 -0.115333 0.024807 0.245402 0.057670 -0.437020 1Rh 5dyz -0.157870 0.121946 -0.196245 0.086504 0.018153 -0.095351 1Rh 5dx2y2 -0.003931 -0.063745 0.311793 0.150950 -0.050310 0.838415 1Rh 5dxy 0.659870 -0.009402 -0.079403 0.008464 0.361381 0.296612 1Rh 1f0 0.008018 0.015671 0.012555 0.018106 -0.025767 -0.026919 1Rh 1f+1 0.019680 -0.010740 -0.012720 0.009403 0.000026 0.022189 1Rh 1f-1 -0.003151 -0.003951 -0.000096 -0.028223 -0.036993 0.003680 1Rh 1f+2 -0.021488 -0.020365 -0.004784 0.032737 -0.015303 0.036412 1Rh 1f-2 -0.005527 -0.007917 -0.005891 0.001318 -0.015201 0.012973 1Rh 1f+3 -0.003229 -0.025715 -0.013358 -0.012113 0.004972 0.042194 1Rh 1f-3 0.023307 -0.015726 -0.008537 0.006300 0.001174 0.021682 2C 1s -0.000154 -0.008122 -0.003066 0.001321 0.000859 -0.000012 2C 2s -0.000178 -0.015071 -0.002525 0.003395 0.000058 -0.002936 2C 3s -0.012413 -0.179504 -0.181226 -0.022555 0.083147 0.084494 2C 4s 0.053469 1.386044 1.014446 0.075263 -0.382818 -0.343864 2C 5s 0.475655 1.237968 -0.020195 -0.765283 -0.313996 0.300416 2C 1pz 0.029760 0.087392 0.078193 -0.000864 -0.039680 -0.009581 2C 1px -0.017697 0.036713 0.041296 0.052592 0.049822 -0.070757 2C 1py -0.017404 0.087193 -0.005084 -0.007648 0.012135 -0.014892 2C 2pz 0.131552 1.044747 0.670637 0.083502 -0.180265 -0.394483 2C 2px 0.009985 0.386549 0.140662 -0.334596 -0.333967 0.383370 2C 2py -0.124738 0.506204 0.609074 -0.066709 -0.269679 -0.065180 2C 3pz 0.224275 0.607661 0.414511 -0.339849 -0.268720 -0.047725 2C 3px -0.095305 0.285862 0.231218 0.549907 0.484689 -0.526091 2C 3py -0.058891 0.670508 0.016802 0.032664 -0.170700 0.028769 2C 1dz2 -0.001469 0.000801 -0.011404 -0.001832 -0.003705 -0.002416 2C 1dxz -0.000413 -0.003022 -0.004701 0.006810 0.005638 -0.001193 2C 1dyz 0.000213 -0.008858 0.000768 -0.001966 0.002125 0.006264 2C 1dx2y2 -0.001128 0.007450 -0.004044 -0.001410 -0.000747 0.001796 2C 1dxy 0.001686 0.001180 -0.003173 0.006357 0.004679 -0.000749 2C 2dz2 -0.029224 0.155964 0.608405 -0.225791 -0.235462 0.087025 2C 2dxz -0.139017 -0.195257 0.389325 0.423228 0.325266 -0.546470 2C 2dyz -0.011183 0.907141 0.363788 -0.116541 -0.305109 0.018420 2C 2dx2y2 -0.167168 -0.308508 0.131921 -0.164267 -0.027447 0.312942 2C 2dxy 0.187968 0.306538 -0.019796 0.326427 0.228587 -0.457847 2C 1f0 -0.011813 -0.009174 0.017973 -0.013782 -0.013915 0.021629 2C 1f+1 0.008138 0.021958 0.000293 -0.001955 -0.002804 -0.003397 2C 1f-1 0.003458 0.025337 0.018163 0.008894 -0.001220 -0.013559 2C 1f+2 -0.001408 -0.018555 0.001137 0.010223 0.012069 -0.013661 2C 1f-2 -0.001295 -0.010801 0.006481 0.007624 0.004362 -0.006041 2C 1f+3 -0.006860 0.006059 0.022707 -0.002896 -0.006787 -0.001799 2C 1f-3 0.001228 0.019935 0.000601 -0.011635 -0.010183 0.012804 3C 1s -0.000366 -0.006660 -0.005598 0.001109 -0.000580 0.000137 3C 2s -0.001219 -0.009905 -0.011417 0.003255 0.000078 -0.001319 3C 3s 0.008363 -0.231386 -0.093238 -0.032172 -0.059319 0.047009 3C 4s 0.000189 1.494464 0.845500 0.108251 0.248965 -0.195168 3C 5s 0.615083 1.411859 0.247001 -0.548132 0.007414 0.253645 3C 1pz -0.000534 0.014785 0.060866 -0.009425 0.035345 0.034203 3C 1px -0.027208 0.038465 0.046833 0.059144 -0.032161 -0.052502 3C 1py -0.024886 -0.123634 -0.039007 0.011354 -0.002511 0.023593 3C 2pz -0.193167 0.576932 0.115440 0.080429 0.039304 -0.152998 3C 2px -0.218449 0.501401 0.257159 -0.326921 0.385940 0.437100 3C 2py -0.142232 -1.084711 -0.679939 -0.102966 -0.155241 0.281522 3C 3pz 0.069908 0.206846 0.368491 -0.238601 0.281946 0.080235 3C 3px -0.306481 0.330492 0.327757 0.332231 -0.571720 -0.356582 3C 3py -0.232571 -0.916816 -0.187821 0.102971 -0.203863 -0.042609 3C 1dz2 -0.001298 0.007102 -0.009849 -0.000606 0.003563 -0.005418 3C 1dxz -0.000211 -0.001288 -0.005646 0.004993 -0.005975 -0.007607 3C 1dyz -0.000221 0.001798 0.005760 0.003003 -0.001866 0.000313 3C 1dx2y2 -0.000107 0.008927 0.000102 0.003777 -0.004464 -0.004221 3C 1dxy 0.003026 0.004276 0.003223 -0.005678 0.005052 -0.002891 3C 2dz2 -0.043493 -0.288122 0.128451 -0.150106 0.119401 0.225706 3C 2dxz 0.411492 0.059515 0.262054 0.372374 -0.319323 -0.644667 3C 2dyz -0.126613 -0.634980 -0.770252 0.215715 -0.350315 -0.216860 3C 2dx2y2 0.305418 -0.542202 0.198461 0.141883 -0.300014 -0.168018 3C 2dxy 0.204438 -0.372366 -0.086033 -0.258791 0.217099 0.340701 3C 1f0 0.019412 -0.026925 0.006851 0.000989 -0.005675 -0.001297 3C 1f+1 -0.003137 0.002004 0.011463 -0.011735 0.009401 0.018663 3C 1f-1 -0.016527 -0.005403 -0.023780 -0.002854 -0.000288 0.006540 3C 1f+2 -0.004839 -0.003993 -0.001979 -0.005269 0.002092 0.002456 3C 1f-2 0.002105 -0.009950 -0.012464 0.005778 -0.007721 -0.006449 3C 1f+3 0.017421 0.017438 0.022353 0.013257 -0.006783 -0.021028 3C 1f-3 0.007622 -0.019210 -0.012935 0.016891 -0.017245 -0.021486 4C 1s 0.000790 0.012075 0.009700 0.000565 -0.004166 -0.008959 4C 2s 0.001879 0.026225 0.022282 0.000856 -0.010619 -0.023389 4C 3s 0.024950 0.260253 0.138320 0.005841 -0.020914 0.017508 4C 4s -0.137789 -2.175028 -1.601391 -0.147740 0.461544 0.627251 4C 5s -0.905161 -1.721228 -1.533034 0.239438 1.332070 1.510599 4C 1pz -0.018976 0.114153 0.012237 0.003729 -0.016506 0.000486 4C 1px 0.062294 0.058292 -0.019697 -0.016419 -0.017785 -0.057161 4C 1py 0.011386 0.003429 0.110097 -0.019087 -0.006280 -0.010679 4C 2pz -0.136565 0.846749 0.624695 -0.134717 -0.361621 -0.059513 4C 2px 0.416562 0.215311 0.051374 0.306306 0.216833 -0.405830 4C 2py 0.062153 0.487936 0.497354 0.032224 -0.118319 -0.154810 4C 3pz -0.011653 0.885171 -0.799074 -0.155945 0.547764 0.727837 4C 3px 0.251280 0.270899 -0.199567 -0.440783 -0.320548 0.499679 4C 3py 0.025142 0.159458 -0.176571 -0.304627 0.379558 0.339063 4C 1dz2 0.004880 0.005398 0.006957 0.002041 -0.002686 0.003431 4C 1dxz -0.007238 0.002639 0.006653 0.001521 0.002858 -0.001513 4C 1dyz 0.001685 0.002729 0.000953 -0.001559 -0.001210 0.000222 4C 1dx2y2 0.001556 -0.008901 -0.003110 -0.005072 0.000266 0.005338 4C 1dxy -0.009159 -0.002117 -0.000388 0.002143 -0.004545 0.002017 4C 2dz2 -0.108953 -0.597717 0.057255 -0.173240 -0.009152 0.252864 4C 2dxz 0.181791 -0.145772 0.022806 0.274296 0.345586 -0.313063 4C 2dyz 0.026461 -0.503797 -0.693613 0.018429 0.216337 0.165801 4C 2dx2y2 0.040015 -0.178311 0.243986 0.000517 0.065513 0.069997 4C 2dxy -0.131295 -0.225889 -0.041636 0.222935 0.162538 -0.006010 4C 1f0 0.000252 0.014646 -0.004534 0.005908 -0.000307 -0.007696 4C 1f+1 0.007657 0.023068 0.001270 -0.003346 -0.004891 -0.002128 4C 1f-1 -0.004728 0.028913 0.023124 -0.002498 -0.009609 -0.009801 4C 1f+2 -0.010029 -0.016982 -0.017968 -0.006157 -0.000547 0.011562 4C 1f-2 0.008895 0.013406 0.008797 0.000274 -0.003419 -0.003224 4C 1f+3 -0.009572 0.005233 0.003894 -0.006320 -0.007940 0.006595 4C 1f-3 -0.006985 0.006452 0.010510 -0.006532 -0.005983 0.002916 5C 1s -0.000144 0.013926 0.006431 0.001676 0.004081 -0.004097 5C 2s -0.000387 0.031591 0.012850 0.003852 0.010262 -0.010498 5C 3s 0.008206 0.218077 0.195998 -0.005644 0.022333 -0.019401 5C 4s 0.043518 -2.211918 -1.415316 -0.173808 -0.520919 0.386950 5C 5s -0.202455 -2.427692 -0.276225 -0.098682 -1.219936 0.947546 5C 1pz -0.021446 0.084556 -0.054281 0.007437 -0.002820 0.008691 5C 1px -0.020316 0.056438 0.017697 -0.015987 0.025528 -0.049963 5C 1py -0.025722 -0.058292 -0.109318 0.006732 -0.004316 0.006789 5C 2pz -0.023799 0.585654 0.169360 -0.088124 0.192415 0.033442 5C 2px -0.135738 0.379717 0.184958 0.268495 -0.228771 -0.415051 5C 2py 0.016164 -0.906588 -0.497056 0.051031 -0.228440 -0.018754 5C 3pz 0.095433 0.348115 -0.105050 -0.076396 -0.573605 0.420275 5C 3px 0.530623 0.174353 0.012379 -0.415104 0.200051 0.478479 5C 3py -0.559048 -0.284589 -0.693287 0.295112 0.827688 -0.318078 5C 1dz2 0.001708 0.001502 0.004586 0.002710 0.001653 0.003311 5C 1dxz -0.003060 0.002819 0.005632 -0.000949 -0.003308 0.001769 5C 1dyz 0.003089 -0.001002 -0.002402 0.001159 -0.003616 -0.006095 5C 1dx2y2 0.003041 -0.011075 -0.005256 -0.002074 -0.001303 0.004405 5C 1dxy -0.005660 -0.003342 0.000620 -0.004041 -0.002982 0.001987 5C 2dz2 0.350035 0.042963 0.464452 -0.036878 0.156603 0.000698 5C 2dxz -0.298112 -0.214234 0.159943 0.014599 -0.160025 -0.024392 5C 2dyz -0.065072 0.772354 0.186572 0.140961 0.029266 -0.293391 5C 2dx2y2 -0.036019 0.162478 0.370306 0.120255 -0.094024 -0.046580 5C 2dxy -0.227932 0.326706 0.170676 -0.307402 0.347161 0.283602 5C 1f0 0.005028 -0.014482 -0.009748 0.004406 -0.007690 -0.002910 5C 1f+1 -0.002622 0.007528 -0.000832 -0.004694 0.004496 0.003671 5C 1f-1 -0.001693 -0.006910 0.009568 -0.000833 -0.001708 0.002580 5C 1f+2 -0.003160 -0.022237 -0.009428 -0.005816 0.000444 0.010796 5C 1f-2 0.008427 -0.024452 -0.013951 -0.003221 0.000180 0.009417 5C 1f+3 0.006390 0.022795 0.018908 -0.004949 0.012879 0.001571 5C 1f-3 -0.006483 -0.007846 -0.017458 -0.001132 0.000182 0.008296 6C 1s -0.000088 0.014009 0.006485 0.001856 0.004010 0.004413 6C 2s -0.000237 0.031828 0.013037 0.004307 0.010093 0.011315 6C 3s 0.007294 0.216542 0.191926 -0.005086 0.021265 0.019943 6C 4s 0.042308 -2.209733 -1.394468 -0.189494 -0.505948 -0.422460 6C 5s -0.216595 -2.427478 -0.280761 -0.131502 -1.198836 -1.016685 6C 1pz 0.021649 -0.084238 0.055207 -0.007127 0.002778 0.009699 6C 1px 0.020267 -0.057311 -0.017873 0.014980 -0.024308 -0.050833 6C 1py 0.025779 0.057686 0.108345 -0.006570 0.004058 0.006318 6C 2pz 0.023852 -0.585152 -0.166974 0.087197 -0.193500 0.027007 6C 2px 0.131481 -0.384241 -0.185074 -0.279417 0.239729 -0.403009 6C 2py -0.018026 0.904030 0.494430 -0.049370 0.228246 -0.011036 6C 3pz -0.095497 -0.344253 0.102681 0.091701 0.554469 0.484607 6C 3px -0.531322 -0.171023 -0.011545 0.428501 -0.217508 0.496423 6C 3py 0.555256 0.276931 0.702645 -0.312001 -0.808930 -0.413238 6C 1dz2 0.001732 0.001483 0.004531 0.002657 0.001719 -0.003309 6C 1dxz -0.003072 0.002753 0.005584 -0.000980 -0.003302 -0.001719 6C 1dyz 0.003134 -0.001017 -0.002468 0.001315 -0.003783 0.005862 6C 1dx2y2 0.003015 -0.011076 -0.005174 -0.002221 -0.001122 -0.004529 6C 1dxy -0.005737 -0.003296 0.000725 -0.004105 -0.002873 -0.002001 6C 2dz2 0.348623 0.039337 0.464765 -0.036900 0.157199 0.006697 6C 2dxz -0.302269 -0.212866 0.161438 0.015766 -0.160415 0.024580 6C 2dyz -0.061803 0.774966 0.183881 0.150434 0.022769 0.294466 6C 2dx2y2 -0.037912 0.159846 0.370683 0.120105 -0.096831 0.041416 6C 2dxy -0.232217 0.325425 0.169008 -0.312407 0.354282 -0.265690 6C 1f0 -0.005065 0.014396 0.009679 -0.004461 0.007712 -0.002503 6C 1f+1 0.002702 -0.007481 0.000983 0.004738 -0.004625 0.003413 6C 1f-1 0.001712 0.006912 -0.009639 0.000909 0.001643 0.002550 6C 1f+2 0.003206 0.022203 0.009198 0.006114 -0.000738 0.010735 6C 1f-2 -0.008411 0.024605 0.013815 0.003540 -0.000362 0.009540 6C 1f+3 -0.006332 -0.022727 -0.018698 0.004887 -0.012923 0.000951 6C 1f-3 0.006413 0.007725 0.017209 0.001360 -0.000354 0.008407 7C 1s 0.000790 0.011997 0.009704 0.000760 -0.004423 0.008817 7C 2s 0.001821 0.026013 0.022238 0.001345 -0.011310 0.023081 7C 3s 0.029109 0.262586 0.141833 0.006538 -0.019560 -0.023326 7C 4s -0.165948 -2.183506 -1.621069 -0.168675 0.473768 -0.577696 7C 5s -0.902825 -1.698607 -1.549948 0.207372 1.375532 -1.428205 7C 1pz 0.018334 -0.114999 -0.012339 -0.003697 0.016385 0.002986 7C 1px -0.063412 -0.058372 0.020054 0.014677 0.019694 -0.056977 7C 1py -0.012424 -0.003809 -0.110297 0.018461 0.006640 -0.010137 7C 2pz 0.133709 -0.846095 -0.623673 0.131520 0.361786 -0.032179 7C 2px -0.423144 -0.215764 -0.049304 -0.315818 -0.206959 -0.401182 7C 2py -0.065588 -0.491394 -0.499440 -0.036286 0.121963 -0.138408 7C 3pz 0.027375 -0.861271 0.801285 0.180365 -0.564860 0.678930 7C 3px -0.250535 -0.270616 0.190341 0.448578 0.309558 0.502406 7C 3py -0.017086 -0.147770 0.175394 0.315758 -0.383869 0.304951 7C 1dz2 0.004964 0.005309 0.006943 0.001990 -0.002498 -0.003577 7C 1dxz -0.007182 0.002690 0.006741 0.001570 0.002881 0.001518 7C 1dyz 0.001663 0.002703 0.001059 -0.001560 -0.001218 -0.000433 7C 1dx2y2 0.001284 -0.009065 -0.003175 -0.005291 0.000366 -0.005329 7C 1dxy -0.009129 -0.002200 -0.000409 0.002068 -0.004489 -0.002250 7C 2dz2 -0.111404 -0.600220 0.061449 -0.178534 -0.002101 -0.237492 7C 2dxz 0.181502 -0.142614 0.024934 0.278048 0.335131 0.319427 7C 2dyz 0.020946 -0.505843 -0.694376 0.011833 0.218632 -0.153321 7C 2dx2y2 0.038621 -0.174070 0.243910 -0.003393 0.066065 -0.075769 7C 2dxy -0.125413 -0.228402 -0.042454 0.227204 0.166862 0.014438 7C 1f0 -0.000316 -0.014527 0.004601 -0.006036 0.000480 -0.007250 7C 1f+1 -0.007807 -0.023017 -0.001411 0.003263 0.004923 -0.001820 7C 1f-1 0.004481 -0.029183 -0.023145 0.002181 0.009875 -0.009024 7C 1f+2 0.010302 0.017239 0.018284 0.006415 0.000248 0.011144 7C 1f-2 -0.009192 -0.013437 -0.008687 -0.000403 0.003461 -0.003062 7C 1f+3 0.009502 -0.005294 -0.003882 0.006422 0.007787 0.006636 7C 1f-3 0.006919 -0.006544 -0.010870 0.006541 0.005910 0.002992 8C 1s -0.000359 -0.006694 -0.005569 0.001094 -0.000608 -0.000111 8C 2s -0.001189 -0.010012 -0.011376 0.003268 -0.000048 0.001461 8C 3s 0.008236 -0.230132 -0.092061 -0.033860 -0.057351 -0.049767 8C 4s -0.000141 1.490282 0.836868 0.116898 0.241259 0.200438 8C 5s 0.618799 1.403778 0.266282 -0.564516 0.035927 -0.307164 8C 1pz 0.001917 -0.014454 -0.060956 0.009749 -0.036603 0.033306 8C 1px 0.026891 -0.038881 -0.047237 -0.060480 0.033792 -0.051086 8C 1py 0.025526 0.123664 0.038447 -0.010590 0.001878 0.023509 8C 2pz 0.196100 -0.577194 -0.111079 -0.083560 -0.033239 -0.153284 8C 2px 0.220094 -0.505111 -0.259517 0.333690 -0.399318 0.416917 8C 2py 0.145378 1.081594 0.674169 0.112225 0.147392 0.286203 8C 3pz -0.062917 -0.205914 -0.371743 0.243388 -0.284457 0.072584 8C 3px 0.302509 -0.333957 -0.331460 -0.342817 0.581611 -0.334550 8C 3py 0.237183 0.913971 0.186921 -0.103382 0.210455 -0.049410 8C 1dz2 -0.001140 0.007211 -0.009923 -0.000391 0.003409 0.005592 8C 1dxz -0.000059 -0.001304 -0.005651 0.005131 -0.006183 0.007292 8C 1dyz -0.000267 0.001721 0.005723 0.002977 -0.001921 -0.000392 8C 1dx2y2 -0.000062 0.009002 0.000054 0.003902 -0.004504 0.003891 8C 1dxy 0.003067 0.004294 0.003246 -0.005617 0.005021 0.003102 8C 2dz2 -0.045106 -0.290563 0.129436 -0.152668 0.121759 -0.212882 8C 2dxz 0.418869 0.054013 0.262269 0.384028 -0.338517 0.627067 8C 2dyz -0.123033 -0.634042 -0.769640 0.219629 -0.359367 0.201727 8C 2dx2y2 0.303356 -0.545335 0.200382 0.141937 -0.302132 0.152170 8C 2dxy 0.205252 -0.372873 -0.080041 -0.268936 0.229311 -0.335115 8C 1f0 -0.019419 0.027083 -0.007040 -0.000692 0.005360 -0.000551 8C 1f+1 0.003524 -0.002440 -0.011459 0.012143 -0.010155 0.018131 8C 1f-1 0.016689 0.005103 0.023868 0.002925 0.000238 0.006436 8C 1f+2 0.004989 0.003873 0.002077 0.005378 -0.002252 0.002298 8C 1f-2 -0.002346 0.009742 0.012200 -0.005764 0.007817 -0.006089 8C 1f+3 -0.017526 -0.017446 -0.022454 -0.013423 0.006992 -0.020214 8C 1f-3 -0.007955 0.019281 0.012777 -0.017353 0.018053 -0.020790 9C 1s -0.000181 -0.008100 -0.003125 0.001339 0.000874 0.000072 9C 2s -0.000187 -0.014991 -0.002674 0.003526 0.000023 0.002907 9C 3s -0.014105 -0.180130 -0.181455 -0.025548 0.084464 -0.076321 9C 4s 0.063582 1.387220 1.020651 0.087937 -0.386937 0.302571 9C 5s 0.450813 1.206677 -0.027035 -0.786285 -0.318736 -0.284334 9C 1pz -0.029399 -0.086210 -0.078666 0.000655 0.039851 -0.006826 9C 1px 0.016587 -0.037277 -0.040909 -0.055122 -0.047508 -0.072275 9C 1py 0.016385 -0.087979 0.003976 0.006986 -0.012201 -0.015477 9C 2pz -0.136902 -1.046615 -0.671341 -0.092900 0.189940 -0.363775 9C 2px -0.013336 -0.381917 -0.135636 0.342632 0.320953 0.384533 9C 2py 0.116039 -0.511363 -0.614269 0.061765 0.270242 -0.051833 9C 3pz -0.217854 -0.593760 -0.418932 0.341224 0.274530 -0.034504 9C 3px 0.086071 -0.286204 -0.229842 -0.559660 -0.477151 -0.538021 9C 3py 0.055595 -0.670697 -0.021057 -0.032468 0.166550 0.033479 9C 1dz2 -0.001427 0.000963 -0.011402 -0.001731 -0.003829 0.002426 9C 1dxz -0.000391 -0.003033 -0.004646 0.006895 0.005634 0.001272 9C 1dyz 0.000136 -0.008977 0.000657 -0.002126 0.002326 -0.005969 9C 1dx2y2 -0.001118 0.007435 -0.004033 -0.001395 -0.000712 -0.001619 9C 1dxy 0.001592 0.001250 -0.003235 0.006262 0.004590 0.000554 9C 2dz2 -0.025122 0.152449 0.607919 -0.226427 -0.231900 -0.095763 9C 2dxz -0.132230 -0.193516 0.392270 0.439793 0.315038 0.547701 9C 2dyz -0.007879 0.901781 0.370346 -0.115108 -0.302663 -0.032508 9C 2dx2y2 -0.169797 -0.322953 0.133446 -0.170480 -0.015677 -0.297929 9C 2dxy 0.181135 0.312465 -0.017354 0.326979 0.209822 0.436809 9C 1f0 0.011702 0.009966 -0.018138 0.013843 0.012825 0.020936 9C 1f+1 -0.007885 -0.021756 -0.000228 0.002508 0.003335 -0.002334 9C 1f-1 -0.003597 -0.025859 -0.018338 -0.009019 0.001736 -0.012296 9C 1f+2 0.001316 0.017766 -0.001111 -0.010170 -0.011326 -0.013624 9C 1f-2 0.001137 0.010731 -0.006713 -0.008171 -0.004498 -0.006470 9C 1f+3 0.006566 -0.005432 -0.022755 0.002113 0.006273 -0.002236 9C 1f-3 -0.001059 -0.020034 -0.001309 0.012280 0.010207 0.012792 10H 1s 0.000875 0.000761 -0.014846 -0.011531 0.000663 0.016141 10H 2s 0.068577 -0.189719 0.101686 0.576242 0.453680 -0.842041 10H 3s -0.045173 0.046583 0.011985 -0.383655 -0.358539 0.454722 10H 1pz -0.012683 -0.017379 0.022551 0.050617 0.047681 -0.053668 10H 1px -0.002082 0.007039 -0.007431 -0.025340 -0.024588 0.059574 10H 1py -0.000509 0.001325 0.001269 0.032487 0.017117 -0.029954 11H 1s -0.012427 -0.033516 -0.012133 0.007242 0.009099 0.013267 11H 2s 0.280934 0.762251 -0.186578 -0.126179 -0.154625 0.129272 11H 3s -0.045509 -0.062080 0.240801 0.189175 0.241283 -0.315783 11H 1pz 0.014096 0.057371 -0.036220 -0.029902 -0.020290 0.011003 11H 1px 0.021071 0.038009 -0.018322 -0.012549 -0.011618 0.009872 11H 1py -0.006726 -0.024805 -0.002725 0.005576 -0.006375 -0.003259 12H 1s 0.010148 -0.011750 -0.025016 0.017125 0.018882 0.000767 12H 2s -0.378524 -0.053840 0.443223 -0.383470 -0.284899 0.548665 12H 3s -0.024442 0.247217 -0.040388 0.414322 0.132225 -0.337547 12H 1pz 0.005132 -0.017950 0.008426 -0.022927 -0.005926 0.002628 12H 1px -0.007877 -0.008436 0.017304 -0.021427 -0.025632 0.030044 12H 1py -0.020759 -0.017188 0.055966 -0.042365 -0.040200 0.043674 13H 1s -0.004745 -0.012291 0.008963 -0.013420 0.003572 0.014173 13H 2s 0.185892 -0.033687 -0.231744 0.522722 -0.490822 -0.855676 13H 3s 0.048100 -0.006177 0.118427 -0.246166 0.466368 0.404046 13H 1pz 0.015750 0.003431 -0.012266 0.036727 -0.042375 -0.063007 13H 1px -0.003200 -0.002602 0.012543 -0.023302 0.007158 0.042718 13H 1py 0.006985 -0.005459 0.023683 -0.043062 0.041963 0.039846 14H 1s 0.029214 -0.024671 0.000041 0.015732 -0.023972 -0.014715 14H 2s -0.702222 0.295748 -0.159895 -0.411280 0.429899 0.748169 14H 3s -0.066987 -0.043207 0.285975 0.227294 -0.357138 -0.398533 14H 1pz -0.036176 0.027417 -0.020985 -0.029146 0.025937 0.032218 14H 1px -0.052945 0.029946 -0.027431 -0.049730 0.039530 0.056496 14H 1py 0.002665 -0.004725 0.020732 0.012522 -0.027206 -0.004663 15H 1s -0.013881 -0.029099 -0.024022 0.003046 -0.006071 0.016210 15H 2s 0.484729 0.240086 0.741482 -0.071066 0.055005 0.006204 15H 3s -0.116712 0.158405 -0.106958 0.191186 -0.093762 -0.125719 15H 1pz -0.020059 -0.018294 -0.028076 -0.001897 -0.004600 -0.003506 15H 1px 0.014804 -0.003014 0.012377 -0.005565 -0.002274 0.002645 15H 1py -0.036274 0.002362 -0.070984 0.015641 -0.022376 -0.009384 16H 1s 0.009079 -0.008156 -0.010354 -0.006005 -0.007733 -0.012923 16H 2s 0.013056 -0.000102 -0.042768 0.019520 0.043287 0.064530 16H 3s -0.242960 -0.027540 0.060094 -0.010688 -0.033054 -0.075850 16H 1pz -0.011778 0.015237 0.019051 0.012381 0.018410 0.020699 16H 1px -0.039444 -0.013746 -0.000375 -0.004612 0.001401 -0.030519 16H 1py -0.013868 -0.032124 -0.023288 0.007166 -0.009693 -0.024729 17H 1s -0.003539 -0.008665 -0.005921 0.001974 -0.008955 -0.010398 17H 2s 0.017014 0.004762 -0.073107 -0.001594 0.060732 0.058895 17H 3s -0.024061 0.015078 -0.004843 0.004598 0.019110 -0.069030 17H 1pz -0.003302 -0.018224 -0.011591 0.006668 -0.024448 0.000713 17H 1px -0.001131 -0.017733 -0.012268 0.007215 -0.013493 -0.021472 17H 1py -0.001692 -0.029745 -0.025932 -0.000893 -0.008134 -0.008470 18H 1s -0.003551 -0.008408 -0.005769 0.001775 -0.009247 0.010388 18H 2s 0.016530 0.004710 -0.073499 -0.002943 0.060362 -0.057837 18H 3s -0.016159 0.016914 -0.004475 0.006252 0.016926 0.069931 18H 1pz 0.003837 0.018207 0.011163 -0.006276 0.024163 0.001779 18H 1px 0.000084 0.016993 0.011839 -0.006924 0.013867 -0.021830 18H 1py 0.001201 0.030946 0.026619 0.000958 0.009385 -0.009507 19H 1s 0.009292 -0.008306 -0.010303 -0.005968 -0.008048 0.012748 19H 2s 0.011971 -0.001896 -0.041593 0.018316 0.044002 -0.064638 19H 3s -0.241113 -0.026723 0.060709 -0.008640 -0.034833 0.073741 19H 1pz 0.011762 -0.016271 -0.019658 -0.012068 -0.018843 0.021793 19H 1px 0.039085 0.012692 -0.000144 0.004067 -0.000578 -0.029848 19H 1py 0.014762 0.032067 0.023004 -0.007852 0.009141 -0.025620 20H 1s -0.014361 -0.029140 -0.024086 0.002609 -0.005973 -0.016678 20H 2s 0.488743 0.237070 0.742326 -0.072338 0.060485 -0.007046 20H 3s -0.114299 0.159631 -0.111038 0.200114 -0.101283 0.123363 20H 1pz 0.020237 0.018119 0.028204 0.001972 0.005038 -0.003826 20H 1px -0.015171 0.003048 -0.012515 0.005910 0.001754 0.002918 20H 1py 0.036252 -0.002559 0.071183 -0.016124 0.023359 -0.008433 21H 1s 0.029539 -0.024937 -0.000154 0.015931 -0.024277 0.013212 21H 2s -0.709714 0.304950 -0.159560 -0.421756 0.447953 -0.720567 21H 3s -0.065447 -0.043043 0.285142 0.235256 -0.369817 0.387713 21H 1pz 0.036684 -0.028258 0.021259 0.029903 -0.026969 0.030765 21H 1px 0.053254 -0.030548 0.027415 0.050474 -0.040828 0.053738 21H 1py -0.002594 0.004741 -0.020707 -0.012374 0.027181 -0.003543 22H 1s -0.004876 -0.011977 0.009229 -0.013560 0.004073 -0.013856 22H 2s 0.190110 -0.038200 -0.237542 0.539349 -0.519254 0.830182 22H 3s 0.043910 -0.005672 0.115864 -0.255605 0.477021 -0.384187 22H 1pz -0.016366 -0.002995 0.012184 -0.037706 0.044293 -0.060738 22H 1px 0.003482 0.002552 -0.012790 0.024098 -0.008619 0.042364 22H 1py -0.006644 0.005280 -0.023957 0.044044 -0.043392 0.038054 23H 1s 0.009540 -0.011736 -0.024942 0.016602 0.018522 -0.001222 23H 2s -0.367030 -0.061873 0.446562 -0.383559 -0.259479 -0.523573 23H 3s -0.018315 0.252872 -0.038346 0.418683 0.124223 0.325229 23H 1pz -0.004930 0.017931 -0.008084 0.022507 0.005590 0.002002 23H 1px 0.007272 0.008746 -0.016846 0.021300 0.023717 0.029467 23H 1py 0.020315 0.018201 -0.056313 0.042690 0.038664 0.042242 24H 1s -0.012371 -0.033652 -0.011684 0.007369 0.009947 -0.012644 24H 2s 0.276312 0.761073 -0.190692 -0.138389 -0.158127 -0.145893 24H 3s -0.040514 -0.060932 0.246210 0.201828 0.239481 0.321782 24H 1pz -0.013978 -0.057436 0.036710 0.030911 0.020858 0.011641 24H 1px -0.020902 -0.038496 0.018561 0.014166 0.011993 0.011559 24H 1py 0.006449 0.024194 0.002953 -0.005389 0.006923 -0.003007 25H 1s 0.000980 0.000616 -0.015023 -0.011689 0.001298 -0.014474 25H 2s 0.069409 -0.177043 0.105730 0.594279 0.428440 0.828598 25H 3s -0.048012 0.040892 0.015614 -0.391296 -0.348295 -0.462724 25H 1pz 0.012298 0.016235 -0.022451 -0.051847 -0.046304 -0.053689 25H 1px 0.002196 -0.005954 0.007224 0.026876 0.022352 0.059165 25H 1py 0.000583 -0.002151 -0.000859 -0.032918 -0.016019 -0.028534 26O 1s -0.005326 -0.001998 0.003390 0.002911 -0.000422 -0.002604 26O 2s -0.007911 -0.004272 0.005387 0.001292 -0.004592 -0.002901 26O 3s -0.078758 -0.010474 0.043500 0.105817 0.071370 -0.063701 26O 4s 0.688777 0.084464 -0.454734 -0.639191 -0.267353 0.530646 26O 5s -2.064555 0.225669 1.592173 0.628147 -0.477460 -1.328782 26O 1pz -0.045887 0.021390 0.016065 -0.011940 -0.011530 0.024414 26O 1px 0.056431 0.005693 -0.019554 -0.002458 0.007908 0.006575 26O 1py -0.000193 -0.002127 -0.005825 -0.001577 0.010727 0.006265 26O 2pz 0.007874 0.058305 -0.041565 -0.169157 -0.126601 0.093026 26O 2px 0.094366 -0.031062 -0.073170 0.105603 0.113702 0.028053 26O 2py 0.058273 -0.059694 0.029113 -0.039281 -0.020798 0.037554 26O 3pz -0.532988 -0.159078 0.462763 0.432768 0.073518 -0.467251 26O 3px -0.121232 -0.295607 -0.186347 0.126868 0.254109 -0.523161 26O 3py -0.111847 0.027002 -0.122784 0.207747 0.225210 -0.423382 26O 1dz2 0.000529 -0.001675 -0.000166 -0.000307 -0.001585 0.004982 26O 1dxz -0.003037 0.002250 0.001327 -0.002756 -0.004725 0.004663 26O 1dyz 0.002388 -0.001627 -0.002902 -0.001568 -0.000177 0.007298 26O 1dx2y2 -0.001667 -0.000578 -0.003035 0.002186 0.001291 -0.002897 26O 1dxy 0.002971 -0.002351 0.000291 -0.001049 0.001044 0.001203 26O 2dz2 0.044184 -0.027075 -0.044279 -0.083808 -0.011064 0.003670 26O 2dxz -0.034907 0.028743 -0.003954 0.009929 -0.010004 0.022568 26O 2dyz 0.054852 -0.013588 -0.024591 -0.108080 -0.133209 0.014389 26O 2dx2y2 -0.028232 0.006992 -0.018772 -0.007471 -0.017042 0.007249 26O 2dxy 0.002898 0.002002 0.015785 -0.071618 -0.005428 0.025477 26O 1f0 0.001332 -0.000803 -0.000774 -0.000120 0.000406 -0.000981 26O 1f+1 -0.000823 0.004251 0.000056 -0.001319 -0.002561 -0.000219 26O 1f-1 0.000020 0.002056 -0.000910 -0.004917 -0.004475 -0.000838 26O 1f+2 -0.001831 0.000261 -0.000832 0.002093 -0.000366 0.002114 26O 1f-2 -0.002344 0.000550 0.001460 -0.001960 -0.001721 0.001234 26O 1f+3 -0.000426 -0.000336 0.003252 -0.002589 -0.001434 0.000613 26O 1f-3 0.000403 0.001880 0.001834 -0.001629 -0.001033 -0.000650 27O 1s -0.002479 -0.000323 -0.002516 0.003749 0.001125 -0.002006 27O 2s -0.004526 -0.001022 -0.005514 0.003884 0.006665 -0.001757 27O 3s -0.024351 0.002655 -0.008558 0.092402 -0.079789 -0.057937 27O 4s 0.232671 -0.073983 0.130620 -0.618948 0.259220 0.442575 27O 5s -0.269862 0.639866 -0.137613 0.737654 0.674804 -0.902048 27O 1pz 0.031761 0.004410 -0.007480 0.003063 0.000106 -0.006916 27O 1px -0.006638 -0.002158 0.012172 0.000537 -0.007673 -0.002388 27O 1py 0.022953 -0.015567 -0.022746 0.013129 -0.008098 -0.030848 27O 2pz 0.026115 0.059850 -0.075034 -0.090918 0.074370 0.009929 27O 2px -0.064011 -0.024563 -0.045554 0.081551 -0.120069 0.024762 27O 2py -0.003072 -0.017125 -0.053522 0.126132 -0.131179 -0.106817 27O 3pz 0.438014 -0.034001 0.160478 0.309532 0.079119 -0.215270 27O 3px 0.201099 -0.388755 -0.109203 0.106014 -0.376330 -0.748284 27O 3py 0.373140 0.057420 0.176029 -0.299434 0.193766 0.457237 27O 1dz2 -0.000391 0.001259 0.002058 0.000990 0.001901 0.000227 27O 1dxz 0.005993 0.003584 -0.002641 0.000437 0.002600 0.001108 27O 1dyz -0.001060 0.002662 0.001920 -0.000598 0.001195 -0.004055 27O 1dx2y2 0.002882 -0.000674 -0.000337 0.002214 -0.002255 -0.006939 27O 1dxy 0.003659 0.000536 -0.002071 0.003620 -0.002293 -0.006414 27O 2dz2 -0.051694 0.007087 0.004686 0.005483 -0.080264 -0.012918 27O 2dxz 0.028932 0.028322 -0.016347 0.023548 0.021592 -0.004121 27O 2dyz -0.010271 0.015009 0.028929 0.122733 -0.109839 -0.006247 27O 2dx2y2 -0.004160 0.026209 0.005266 0.010946 -0.036522 0.006733 27O 2dxy 0.009851 0.000893 -0.020751 0.070129 -0.027497 -0.037928 27O 1f0 -0.001984 -0.001726 0.001740 0.002496 -0.004268 -0.000375 27O 1f+1 -0.000203 0.002316 -0.000373 -0.000530 0.001593 -0.001192 27O 1f-1 0.000310 -0.000363 0.000384 -0.000001 -0.000905 0.001032 27O 1f+2 0.001209 0.001425 -0.000886 0.002582 -0.002010 0.000975 27O 1f-2 -0.001208 -0.002246 0.001122 0.000892 -0.002003 0.001033 27O 1f+3 0.000349 0.002044 0.004566 -0.004593 0.004187 0.000669 27O 1f-3 -0.000904 -0.000160 -0.000425 0.000886 -0.000171 0.001821 28O 1s 0.005382 -0.002494 0.001821 -0.002030 -0.006290 0.000462 28O 2s 0.008678 -0.005561 0.003337 -0.000314 -0.010033 -0.000242 28O 3s 0.062966 -0.008257 0.015410 -0.084412 -0.085814 0.033871 28O 4s -0.626531 0.088196 -0.226775 0.461042 0.723226 -0.206518 28O 5s 2.426586 0.406203 0.928227 -0.083421 -1.148495 -0.716699 28O 1pz 0.014510 0.014236 -0.006050 0.011390 0.012674 -0.003325 28O 1px 0.081303 0.027442 0.004179 0.009585 0.000316 -0.040795 28O 1py 0.005311 -0.004642 0.007819 -0.000773 0.004417 0.003364 28O 2pz -0.071635 0.026931 -0.045037 0.092640 0.066353 -0.024473 28O 2px 0.135518 0.131908 0.001971 0.175391 0.129508 -0.119309 28O 2py -0.040030 -0.052357 0.089633 0.077075 0.110929 -0.021915 28O 3pz 0.229578 -0.336951 -0.016150 -0.549851 -0.349973 1.014025 28O 3px 0.300505 0.024106 0.330535 0.052425 -0.136296 -0.797661 28O 3py 0.108192 0.159204 -0.036733 -0.144154 -0.473086 0.349949 28O 1dz2 0.000850 0.001134 -0.001804 0.001125 0.002877 -0.005875 28O 1dxz -0.000294 -0.000493 0.002135 0.001036 0.000598 -0.005757 28O 1dyz -0.004939 -0.003615 0.001197 0.000632 0.000068 -0.003741 28O 1dx2y2 -0.001959 -0.002479 -0.001050 -0.002994 -0.000159 0.006917 28O 1dxy 0.000077 -0.000299 -0.005217 -0.000936 0.000847 -0.000948 28O 2dz2 -0.013500 0.003482 -0.023493 0.047248 0.030819 -0.011232 28O 2dxz -0.070009 -0.028050 0.002941 0.030821 -0.015606 0.037464 28O 2dyz -0.047232 -0.011863 0.010398 0.122562 0.103944 -0.001309 28O 2dx2y2 -0.009201 -0.002377 0.002946 0.047344 -0.009537 -0.007096 28O 2dxy -0.035279 -0.008704 -0.023791 0.031946 0.084754 0.006642 28O 1f0 0.002280 0.004862 -0.002317 0.001366 0.001978 -0.001695 28O 1f+1 -0.002091 -0.001206 0.000836 0.000442 0.001087 0.001693 28O 1f-1 0.001296 0.000744 0.001026 0.005178 0.004329 -0.000733 28O 1f+2 -0.001248 -0.002554 -0.002258 -0.004635 -0.003142 0.000807 28O 1f-2 -0.001054 0.000596 -0.002465 0.002352 0.002702 0.000190 28O 1f+3 -0.001016 -0.000699 -0.002506 -0.000910 -0.000277 0.001097 28O 1f-3 0.000233 0.000626 -0.000937 -0.000765 -0.000569 0.001032 29O 1s 0.000875 0.000877 0.001454 0.000162 0.000041 -0.013485 29O 2s 0.002938 0.001756 0.002531 0.000401 -0.000364 -0.030883 29O 3s -0.018457 0.001393 0.012903 0.000282 0.011679 0.002541 29O 4s 0.047860 -0.008406 -0.113137 -0.004921 -0.036452 0.653666 29O 5s -0.084362 -0.112964 0.195771 -0.013659 -0.031490 -1.841936 29O 1pz -0.000836 0.002397 -0.003872 -0.022874 0.000461 0.023275 29O 1px -0.004801 0.010707 0.007280 -0.002307 0.004749 -0.045954 29O 1py -0.009116 0.007737 0.004552 0.001512 -0.019932 0.001888 29O 2pz -0.006713 -0.008762 -0.010898 0.011178 0.006083 0.045011 29O 2px -0.022219 0.035007 0.041864 0.003828 -0.008742 -0.103331 29O 2py -0.024658 0.016006 0.017456 0.002519 0.007571 0.025721 29O 3pz 0.016747 -0.015762 0.042591 0.023998 -0.016282 -0.297389 29O 3px 0.168690 0.019575 -0.062155 0.002106 -0.023431 0.756899 29O 3py 0.184106 -0.002313 -0.097093 -0.004810 0.081405 0.071407 29O 1dz2 -0.000546 -0.001985 -0.002003 0.000108 -0.000473 0.001263 29O 1dxz 0.001728 -0.001790 -0.002208 0.000353 0.000112 0.001766 29O 1dyz 0.000332 -0.000123 0.000148 0.000740 0.000143 -0.000090 29O 1dx2y2 -0.000468 0.002504 0.001103 0.000230 -0.000508 -0.001549 29O 1dxy 0.001434 0.000663 0.000438 0.000115 -0.000146 0.000194 29O 2dz2 0.016856 -0.019440 -0.006610 0.011672 -0.024287 -0.009140 29O 2dxz -0.016931 0.017545 0.023109 -0.031623 -0.026469 0.045972 29O 2dyz -0.001120 0.015374 0.008742 -0.027027 0.013478 0.018110 29O 2dx2y2 0.001880 -0.076402 -0.046883 -0.005836 0.002423 -0.061938 29O 2dxy 0.004294 -0.014880 -0.017888 0.000748 -0.032027 -0.014660 29O 1f0 -0.001518 0.000431 0.001096 -0.000147 0.001039 0.001578 29O 1f+1 -0.000662 0.000022 -0.000318 -0.001008 -0.000603 -0.000285 29O 1f-1 -0.001374 0.000961 0.000711 0.000501 0.001029 0.001851 29O 1f+2 0.002078 -0.000706 -0.001102 0.000336 -0.000036 -0.001451 29O 1f-2 0.000718 0.000236 -0.000089 0.000129 0.000639 0.000119 29O 1f+3 0.000449 -0.001975 -0.000617 -0.000286 0.000279 -0.001096 29O 1f-3 -0.002798 -0.001084 0.000054 0.000265 -0.001636 -0.001149 30O 1s -0.002354 -0.000314 -0.001326 -0.001860 0.006150 0.000650 30O 2s -0.004633 -0.001833 -0.002706 -0.000807 0.008661 -0.000255 30O 3s -0.014483 0.017896 -0.010964 -0.067059 0.106259 0.042738 30O 4s 0.212470 -0.157824 0.073043 0.364945 -0.825954 -0.271502 30O 5s -0.736558 0.943326 0.247456 0.089243 1.446614 -0.390003 30O 1pz -0.040158 -0.006684 -0.007150 -0.007955 0.000589 0.015250 30O 1px -0.033194 0.026908 0.012312 0.006123 0.004044 -0.029029 30O 1py -0.048109 -0.005802 -0.011159 -0.011546 0.018267 0.010701 30O 2pz -0.037994 0.017530 -0.128314 0.015916 -0.019009 0.031558 30O 2px -0.071352 0.088003 0.066001 0.160831 -0.163201 -0.106299 30O 2py -0.083542 0.028475 -0.032646 -0.074440 0.134779 0.044295 30O 3pz -0.516908 -0.193895 0.339452 -0.340375 0.167275 0.633967 30O 3px -0.077030 0.193060 0.062728 0.031152 0.348813 -0.569415 30O 3py 0.134605 0.024863 0.163704 0.291970 -0.584712 -0.864518 30O 1dz2 -0.006454 0.003839 -0.000725 -0.000865 -0.000652 0.000139 30O 1dxz 0.004938 -0.000636 0.001704 0.001438 -0.000385 -0.004922 30O 1dyz 0.000559 0.002348 0.002003 0.001121 0.002116 0.002456 30O 1dx2y2 -0.000731 -0.001760 -0.000664 -0.003471 0.001644 0.007581 30O 1dxy 0.003396 0.000374 0.002651 0.000266 0.000152 0.004320 30O 2dz2 0.020377 0.033927 -0.014247 -0.045683 0.050593 0.000125 30O 2dxz 0.062757 -0.012196 -0.002698 0.053576 0.018372 0.022125 30O 2dyz -0.008757 0.002353 0.000054 -0.112486 0.112970 0.022570 30O 2dx2y2 0.021534 0.010307 -0.005946 0.008263 0.021453 0.006940 30O 2dxy 0.035819 0.022711 0.019575 -0.025350 0.087809 -0.028549 30O 1f0 -0.001527 0.001759 -0.001042 -0.001946 0.001870 -0.000492 30O 1f+1 0.003770 -0.000713 0.001197 -0.000867 0.000570 0.000186 30O 1f-1 0.002418 -0.002428 0.002832 0.000614 0.001080 -0.000676 30O 1f+2 0.001013 -0.002634 -0.001726 -0.004241 0.004302 0.002683 30O 1f-2 -0.000888 -0.000578 -0.001561 -0.003356 0.004204 0.000458 30O 1f+3 -0.001534 -0.000553 -0.001841 0.000878 -0.002509 0.001127 30O 1f-3 0.000665 -0.002206 -0.003213 -0.002010 0.001602 0.001057 31O 1s -0.002337 -0.000298 -0.001339 -0.001892 0.006115 -0.000239 31O 2s -0.004588 -0.001792 -0.002750 -0.000851 0.008550 0.000909 31O 3s -0.014597 0.017791 -0.010653 -0.067859 0.107049 -0.037149 31O 4s 0.211920 -0.158202 0.072702 0.370712 -0.828656 0.222101 31O 5s -0.726754 0.952411 0.242595 0.104545 1.425768 0.506164 31O 1pz 0.040545 0.006739 0.007583 0.008097 -0.000920 0.015205 31O 1px 0.033129 -0.027353 -0.012523 -0.006950 -0.003267 -0.029644 31O 1py 0.048266 0.005007 0.010707 0.011646 -0.018704 0.009208 31O 2pz 0.037997 -0.017310 0.129458 -0.015461 0.018703 0.034308 31O 2px 0.070700 -0.088863 -0.065459 -0.163753 0.165806 -0.099589 31O 2py 0.084162 -0.030608 0.031979 0.074942 -0.136864 0.036306 31O 3pz 0.526247 0.196267 -0.346178 0.358016 -0.186007 0.618477 31O 3px 0.072057 -0.197900 -0.061229 -0.045765 -0.330572 -0.601045 31O 3py -0.140208 -0.022585 -0.159095 -0.314123 0.610990 -0.835401 31O 1dz2 -0.006480 0.003892 -0.000732 -0.000843 -0.000655 -0.000056 31O 1dxz 0.004995 -0.000620 0.001703 0.001548 -0.000535 0.004931 31O 1dyz 0.000568 0.002367 0.002014 0.001087 0.002200 -0.002307 31O 1dx2y2 -0.000783 -0.001765 -0.000651 -0.003629 0.001865 -0.007474 31O 1dxy 0.003376 0.000327 0.002664 0.000149 0.000283 -0.004374 31O 2dz2 0.020325 0.033671 -0.014233 -0.045684 0.050755 0.002245 31O 2dxz 0.062771 -0.013061 -0.002565 0.052850 0.019021 -0.023259 31O 2dyz -0.008994 0.002658 0.000546 -0.112601 0.113508 -0.016643 31O 2dx2y2 0.021668 0.009909 -0.005871 0.008241 0.021481 -0.006239 31O 2dxy 0.035907 0.022804 0.019574 -0.024535 0.087337 0.031720 31O 1f0 0.001521 -0.001762 0.001080 0.001925 -0.001853 -0.000575 31O 1f+1 -0.003768 0.000745 -0.001199 0.000875 -0.000585 0.000193 31O 1f-1 -0.002427 0.002442 -0.002854 -0.000627 -0.001061 -0.000693 31O 1f+2 -0.000982 0.002645 0.001691 0.004305 -0.004387 0.002495 31O 1f-2 0.000899 0.000558 0.001515 0.003371 -0.004224 0.000288 31O 1f+3 0.001538 0.000543 0.001863 -0.000859 0.002468 0.001248 31O 1f-3 -0.000667 0.002189 0.003168 0.002034 -0.001635 0.000956 32O 1s 0.000951 0.000954 0.001453 0.000466 -0.000336 0.013538 32O 2s 0.003100 0.001925 0.002536 0.001078 -0.001225 0.031008 32O 3s -0.018275 0.001541 0.012737 0.000698 0.011692 -0.002537 32O 4s 0.043212 -0.012951 -0.112325 -0.021690 -0.018277 -0.655726 32O 5s -0.071552 -0.101191 0.194017 0.029695 -0.081415 1.845519 32O 1pz 0.000811 -0.002046 0.003845 0.023434 -0.001084 0.022449 32O 1px 0.004226 -0.010675 -0.007189 0.001079 -0.003421 -0.046681 32O 1py 0.008996 -0.007718 -0.004665 -0.001366 0.019786 0.002440 32O 2pz 0.006831 0.008686 0.010877 -0.009998 -0.006884 0.043802 32O 2px 0.020619 -0.035906 -0.041937 -0.005928 0.011548 -0.103704 32O 2py 0.025041 -0.016009 -0.017414 -0.003066 -0.008297 0.025650 32O 3pz -0.017383 0.016626 -0.044783 -0.031685 0.024387 -0.293075 32O 3px -0.158019 -0.013188 0.062207 0.014636 0.001531 0.759880 32O 3py -0.183231 0.003349 0.095363 0.007891 -0.080895 0.071408 32O 1dz2 -0.000597 -0.002039 -0.002021 0.000053 -0.000434 -0.001280 32O 1dxz 0.001712 -0.001802 -0.002223 0.000296 0.000155 -0.001745 32O 1dyz 0.000362 -0.000185 0.000090 0.000755 0.000105 0.000031 32O 1dx2y2 -0.000464 0.002501 0.001090 0.000234 -0.000547 0.001582 32O 1dxy 0.001445 0.000640 0.000413 0.000110 -0.000133 -0.000190 32O 2dz2 0.017249 -0.019851 -0.007079 0.012013 -0.024324 0.008976 32O 2dxz -0.017692 0.016699 0.023684 -0.033027 -0.024985 -0.045462 32O 2dyz -0.000924 0.013283 0.007314 -0.027456 0.012440 -0.016324 32O 2dx2y2 0.001947 -0.076779 -0.046946 -0.004379 0.000801 0.064516 32O 2dxy 0.003863 -0.016968 -0.018609 0.001261 -0.033156 0.014249 32O 1f0 0.001471 -0.000382 -0.001036 0.000189 -0.000995 0.001407 32O 1f+1 0.000678 0.000014 0.000316 0.001022 0.000683 -0.000351 32O 1f-1 0.001438 -0.000971 -0.000721 -0.000488 -0.001118 0.001884 32O 1f+2 -0.002060 0.000745 0.001132 -0.000334 0.000148 -0.001512 32O 1f-2 -0.000785 -0.000229 0.000121 -0.000162 -0.000622 0.000087 32O 1f+3 -0.000525 0.001930 0.000611 0.000311 -0.000300 -0.001097 32O 1f-3 0.002807 0.001098 -0.000062 -0.000299 0.001663 -0.001099 33O 1s 0.005468 -0.002464 0.001830 -0.002023 -0.006271 -0.000854 33O 2s 0.008880 -0.005510 0.003376 -0.000283 -0.010027 -0.000620 33O 3s 0.062778 -0.007969 0.014945 -0.084877 -0.084868 -0.034558 33O 4s -0.630772 0.085271 -0.225382 0.462828 0.716941 0.231199 33O 5s 2.452933 0.420672 0.937237 -0.058668 -1.165433 0.644308 33O 1pz -0.013999 -0.014791 0.005573 -0.010880 -0.012599 -0.002992 33O 1px -0.081535 -0.027848 -0.003931 -0.010501 0.000968 -0.039820 33O 1py -0.005720 0.004812 -0.008062 0.000234 -0.005220 0.002360 33O 2pz 0.072196 -0.028598 0.044530 -0.092479 -0.065534 -0.022266 33O 2px -0.137201 -0.133529 -0.002626 -0.177783 -0.126324 -0.118709 33O 2py 0.038961 0.052505 -0.090541 -0.079071 -0.111919 -0.025413 33O 3pz -0.219543 0.341550 0.027962 0.572305 0.323740 1.009102 33O 3px -0.310874 -0.028043 -0.334539 -0.072183 0.157898 -0.784347 33O 3py -0.109269 -0.156375 0.043873 0.154466 0.465315 0.366502 33O 1dz2 0.000846 0.001255 -0.001830 0.001191 0.002657 0.005763 33O 1dxz -0.000206 -0.000486 0.002167 0.001178 0.000444 0.005774 33O 1dyz -0.004866 -0.003605 0.001189 0.000756 0.000024 0.003785 33O 1dx2y2 -0.002037 -0.002532 -0.001056 -0.003172 0.000017 -0.006807 33O 1dxy 0.000013 -0.000244 -0.005195 -0.000959 0.000774 0.000971 33O 2dz2 -0.013217 0.003508 -0.023001 0.047266 0.030227 0.010381 33O 2dxz -0.070380 -0.028485 0.003209 0.029986 -0.014418 -0.037733 33O 2dyz -0.046867 -0.012173 0.010488 0.122681 0.103991 0.001819 33O 2dx2y2 -0.008319 -0.002091 0.003288 0.047650 -0.009317 0.006259 33O 2dxy -0.035588 -0.008298 -0.023509 0.031587 0.084602 -0.004890 33O 1f0 -0.002320 -0.004919 0.002310 -0.001378 -0.001910 -0.001600 33O 1f+1 0.002095 0.001223 -0.000872 -0.000394 -0.001131 0.001668 33O 1f-1 -0.001331 -0.000774 -0.001021 -0.005198 -0.004316 -0.000772 33O 1f+2 0.001319 0.002594 0.002295 0.004687 0.003161 0.000791 33O 1f-2 0.001077 -0.000626 0.002458 -0.002318 -0.002690 0.000177 33O 1f+3 0.001073 0.000731 0.002529 0.000939 0.000259 0.001036 33O 1f-3 -0.000195 -0.000627 0.000929 0.000804 0.000548 0.001054 34O 1s -0.002402 -0.000331 -0.002549 0.003777 0.001000 0.002207 34O 2s -0.004387 -0.001056 -0.005596 0.003876 0.006470 0.002335 34O 3s -0.023608 0.003003 -0.008327 0.093821 -0.081709 0.055596 34O 4s 0.225182 -0.074974 0.131623 -0.628586 0.277101 -0.446340 34O 5s -0.256587 0.640107 -0.145978 0.761959 0.636227 0.993561 34O 1pz -0.032267 -0.004449 0.007532 -0.003110 -0.000059 -0.006574 34O 1px 0.006731 0.001711 -0.012342 -0.000423 0.007509 -0.001136 34O 1py -0.023624 0.015663 0.022987 -0.013735 0.009081 -0.030464 34O 2pz -0.027020 -0.060093 0.075164 0.091518 -0.075049 0.008093 34O 2px 0.063750 0.023827 0.044345 -0.080406 0.119443 0.032852 34O 2py 0.001502 0.016766 0.054236 -0.128477 0.134068 -0.102884 34O 3pz -0.440219 0.036667 -0.159435 -0.314976 -0.070312 -0.225992 34O 3px -0.207834 0.385712 0.105675 -0.119647 0.396035 -0.725030 34O 3py -0.367561 -0.055253 -0.179050 0.308284 -0.209455 0.465307 34O 1dz2 -0.000387 0.001238 0.002052 0.000993 0.001895 -0.000113 34O 1dxz 0.006062 0.003574 -0.002657 0.000414 0.002647 -0.001105 34O 1dyz -0.001059 0.002658 0.001901 -0.000506 0.001064 0.004211 34O 1dx2y2 0.002950 -0.000645 -0.000312 0.002346 -0.002430 0.006752 34O 1dxy 0.003749 0.000551 -0.002078 0.003758 -0.002480 0.006306 34O 2dz2 -0.052244 0.007103 0.005189 0.005513 -0.080775 0.010680 34O 2dxz 0.029094 0.028306 -0.016551 0.023653 0.021497 0.003668 34O 2dyz -0.010022 0.015087 0.029093 0.123234 -0.109821 0.001181 34O 2dx2y2 -0.004755 0.025641 0.004724 0.010773 -0.036437 -0.007501 34O 2dxy 0.010464 0.001325 -0.020505 0.071201 -0.028407 0.035640 34O 1f0 0.002001 0.001717 -0.001773 -0.002509 0.004263 -0.000188 34O 1f+1 0.000214 -0.002312 0.000410 0.000503 -0.001558 -0.001248 34O 1f-1 -0.000319 0.000354 -0.000370 0.000010 0.000875 0.001049 34O 1f+2 -0.001211 -0.001411 0.000910 -0.002557 0.001980 0.001094 34O 1f-2 0.001228 0.002246 -0.001135 -0.000877 0.001976 0.001067 34O 1f+3 -0.000318 -0.001996 -0.004513 0.004610 -0.004181 0.000437 34O 1f-3 0.000916 0.000176 0.000423 -0.000848 0.000123 0.001834 35O 1s -0.005208 -0.001919 0.003380 0.002987 -0.000467 0.002384 35O 2s -0.007668 -0.004132 0.005391 0.001389 -0.004627 0.002396 35O 3s -0.078196 -0.009748 0.042870 0.107386 0.069974 0.063704 35O 4s 0.679165 0.076332 -0.451587 -0.652817 -0.256245 -0.517489 35O 5s -2.044001 0.242377 1.594104 0.661994 -0.507618 1.279197 35O 1pz 0.045791 -0.020708 -0.015717 0.012015 0.010757 0.023731 35O 1px -0.056708 -0.004916 0.019657 0.002252 -0.008109 0.005461 35O 1py 0.000763 0.002149 0.005963 0.002239 -0.010324 0.006344 35O 2pz -0.007606 -0.056045 0.042603 0.170305 0.124040 0.092241 35O 2px -0.094828 0.032428 0.074542 -0.105514 -0.115290 0.026335 35O 2py -0.057226 0.060381 -0.027881 0.041194 0.020722 0.039079 35O 3pz 0.523822 0.145369 -0.463591 -0.444722 -0.063710 -0.454701 35O 3px 0.117464 0.289151 0.192110 -0.136607 -0.238274 -0.533590 35O 3py 0.108373 -0.038221 0.123501 -0.216664 -0.214298 -0.424478 35O 1dz2 0.000512 -0.001731 -0.000152 -0.000397 -0.001428 -0.004967 35O 1dxz -0.003013 0.002219 0.001301 -0.002801 -0.004557 -0.004759 35O 1dyz 0.002332 -0.001674 -0.002928 -0.001734 0.000009 -0.007311 35O 1dx2y2 -0.001583 -0.000617 -0.003046 0.002307 0.001247 0.003046 35O 1dxy 0.002893 -0.002322 0.000266 -0.001136 0.001027 -0.001251 35O 2dz2 0.043885 -0.027334 -0.044241 -0.084043 -0.011066 -0.001685 35O 2dxz -0.034709 0.028985 -0.003468 0.009629 -0.009201 -0.023279 35O 2dyz 0.055078 -0.014262 -0.024754 -0.108467 -0.132965 -0.015984 35O 2dx2y2 -0.027868 0.007437 -0.018317 -0.007304 -0.016622 -0.007198 35O 2dxy 0.002656 0.002554 0.016466 -0.072366 -0.004978 -0.025264 35O 1f0 -0.001340 0.000801 0.000757 0.000079 -0.000385 -0.001060 35O 1f+1 0.000773 -0.004284 -0.000093 0.001277 0.002562 -0.000140 35O 1f-1 -0.000067 -0.002085 0.000909 0.004872 0.004503 -0.000870 35O 1f+2 0.001850 -0.000237 0.000818 -0.002061 0.000278 0.002184 35O 1f-2 0.002333 -0.000548 -0.001463 0.001980 0.001683 0.001245 35O 1f+3 0.000412 0.000298 -0.003274 0.002606 0.001432 0.000680 35O 1f-3 -0.000469 -0.001923 -0.001872 0.001599 0.001050 -0.000623 288 289 290 291 292 293 1.16028 1.18285 1.21596 1.22261 1.24321 1.25274 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s -0.000429 -0.006695 0.000046 0.000027 -0.000027 -0.000032 0Rh 2s 0.001197 0.020609 -0.000034 0.000464 0.000212 -0.000169 0Rh 3s -0.001770 -0.026482 0.000247 0.000446 -0.000027 -0.000288 0Rh 4s -0.005324 -0.093234 0.000115 -0.002376 -0.000994 0.000892 0Rh 5s -0.000582 0.020082 0.001053 0.006985 0.001336 -0.003136 0Rh 6s 0.036261 0.509867 -0.005080 -0.013873 0.000834 0.006410 0Rh 7s -0.167135 -2.249121 -0.042792 0.127734 0.033900 -0.063853 0Rh 8s 0.059288 0.580852 0.242891 0.403982 -0.007615 -0.334325 0Rh 1pz 0.001828 -0.001092 0.007234 -0.011916 -0.008608 -0.018804 0Rh 1px 0.001114 0.008205 -0.003429 -0.004175 0.003908 -0.010643 0Rh 1py 0.005706 0.001337 0.010252 0.008975 -0.014932 0.003954 0Rh 2pz -0.006076 0.003912 -0.024456 0.041055 0.029312 0.061966 0Rh 2px -0.003813 -0.028100 0.011768 0.014307 -0.012920 0.035464 0Rh 2py -0.018943 -0.004554 -0.035661 -0.030197 0.049498 -0.013263 0Rh 3pz -0.000858 -0.005698 0.005666 -0.025717 -0.010689 0.021222 0Rh 3px 0.002055 0.014572 -0.006661 -0.006794 -0.002884 0.002876 0Rh 3py -0.002759 0.001925 0.029272 0.003830 0.010316 0.000457 0Rh 4pz 0.037702 0.001288 0.110793 -0.119902 -0.119824 -0.434800 0Rh 4px 0.012056 0.097800 -0.036137 -0.054588 0.080642 -0.206066 0Rh 4py 0.116555 0.017157 0.076530 0.150499 -0.318208 0.072967 0Rh 5pz -0.060141 -0.002348 -0.131157 0.091923 0.152284 0.674134 0Rh 5px -0.011662 -0.150537 0.030457 0.085219 -0.103536 0.276039 0Rh 5py -0.180157 -0.025350 -0.029583 -0.190876 0.465075 -0.105810 0Rh 6pz 0.106426 0.049126 -0.619719 1.452157 0.147138 -0.583242 0Rh 6px -0.024000 -0.180605 0.206594 -0.407152 -0.265791 0.550745 0Rh 6py -0.069779 -0.005118 -1.435353 -0.624367 0.190668 -0.009017 0Rh 1dz2 -0.013738 -0.035576 -0.013989 0.026189 -0.012401 -0.005574 0Rh 1dxz 0.008911 -0.050347 0.014443 -0.041709 -0.016802 0.004911 0Rh 1dyz -0.035628 -0.007456 -0.035709 -0.001178 -0.058910 -0.022489 0Rh 1dx2y2 0.007635 0.067203 -0.015606 -0.008215 -0.011703 -0.011149 0Rh 1dxy -0.015310 0.031852 0.035185 0.017614 -0.026670 -0.004597 0Rh 2dz2 0.001940 0.006273 0.002953 -0.005298 0.002220 0.001987 0Rh 2dxz -0.001619 0.009418 -0.002761 0.009326 0.003411 -0.003128 0Rh 2dyz 0.004453 0.001538 0.007610 0.000276 0.012164 0.003572 0Rh 2dx2y2 -0.001799 -0.012430 0.003442 0.001274 0.002869 0.001675 0Rh 2dxy 0.002826 -0.006211 -0.007671 -0.003316 0.003448 0.001209 0Rh 3dz2 0.021785 0.050025 0.018009 -0.034804 0.017538 0.003755 0Rh 3dxz -0.012412 0.068863 -0.019994 0.051472 0.022455 0.002834 0Rh 3dyz 0.059072 0.009563 0.045318 0.001443 0.077073 0.034178 0Rh 3dx2y2 -0.008592 -0.092360 0.019336 0.012793 0.013421 0.017194 0Rh 3dxy 0.021473 -0.042561 -0.044250 -0.024153 0.043905 0.004860 0Rh 4dz2 0.028544 0.122769 0.053138 -0.093841 0.043208 0.032807 0Rh 4dxz -0.029866 0.179207 -0.049109 0.166125 0.060861 -0.052280 0Rh 4dyz 0.067292 0.029535 0.138308 0.003614 0.222259 0.068090 0Rh 4dx2y2 -0.036913 -0.237986 0.060394 0.019297 0.050628 0.034675 0Rh 4dxy 0.041408 -0.116097 -0.134098 -0.061890 0.069255 0.022345 0Rh 5dz2 0.106099 -0.423126 -0.147974 0.229176 -0.129301 -0.124045 0Rh 5dxz 0.057170 -0.601981 0.112838 -0.490629 -0.162951 0.267520 0Rh 5dyz 0.288715 -0.115692 -0.409095 0.012527 -0.650042 -0.148634 0Rh 5dx2y2 0.184377 0.819982 -0.165986 0.028025 -0.162459 -0.098398 0Rh 5dxy 0.077470 0.381373 0.347591 0.168314 -0.109506 -0.089630 0Rh 1f0 0.005099 0.005724 0.011681 0.016077 -0.001807 -0.002288 0Rh 1f+1 -0.017456 -0.000793 0.007516 -0.019520 -0.015274 0.002252 0Rh 1f-1 0.006047 -0.002666 0.035422 -0.012216 -0.006129 0.001557 0Rh 1f+2 0.008808 -0.004124 -0.001447 0.024005 -0.001962 0.020588 0Rh 1f-2 -0.033648 -0.001713 0.020368 0.011234 -0.025141 0.001682 0Rh 1f+3 0.002717 -0.006919 -0.003759 -0.031453 -0.001847 0.006401 0Rh 1f-3 0.020224 -0.004788 0.018485 -0.001610 -0.001511 0.013812 1Rh 1s -0.000409 -0.006685 -0.000012 -0.000031 0.000070 -0.000016 1Rh 2s 0.001088 0.020555 -0.000076 -0.000439 -0.000329 0.000333 1Rh 3s -0.001722 -0.026457 -0.000118 -0.000452 0.000207 0.000110 1Rh 4s -0.004807 -0.092976 0.000391 0.002255 0.001521 -0.001652 1Rh 5s -0.001260 0.019758 -0.001276 -0.006745 -0.001289 0.003628 1Rh 6s 0.035783 0.509565 0.002871 0.013485 -0.004414 -0.003925 1Rh 7s -0.167691 -2.250980 0.048638 -0.121648 -0.021852 0.058140 1Rh 8s 0.041343 0.565080 -0.242118 -0.412958 0.004705 0.332043 1Rh 1pz -0.001697 0.001076 0.007181 -0.011907 -0.008638 -0.018669 1Rh 1px -0.001308 -0.008123 -0.003313 -0.004301 0.004001 -0.010972 1Rh 1py -0.005669 -0.001335 0.010244 0.008927 -0.014994 0.003882 1Rh 2pz 0.005623 -0.003855 -0.024278 0.041026 0.029413 0.061519 1Rh 2px 0.004465 0.027822 0.011380 0.014721 -0.013236 0.036561 1Rh 2py 0.018806 0.004541 -0.035634 -0.030037 0.049707 -0.013023 1Rh 3pz 0.001118 0.005609 0.005651 -0.025708 -0.010691 0.021127 1Rh 3px -0.002126 -0.014439 -0.006687 -0.006661 -0.002797 0.002955 1Rh 3py 0.003069 -0.001788 0.029228 0.003853 0.010290 0.000465 1Rh 4pz -0.036226 -0.001183 0.109876 -0.119779 -0.120406 -0.431936 1Rh 4px -0.015447 -0.096981 -0.033868 -0.057386 0.082144 -0.212431 1Rh 4py -0.117169 -0.017682 0.076545 0.149527 -0.319337 0.071598 1Rh 5pz 0.057881 0.001423 -0.129829 0.091693 0.153327 0.669674 1Rh 5px 0.017751 0.150985 0.026681 0.089480 -0.106598 0.285538 1Rh 5py 0.182951 0.026602 -0.029564 -0.189520 0.467265 -0.103510 1Rh 6pz -0.094992 -0.033526 -0.616965 1.457851 0.149503 -0.578372 1Rh 6px -0.027361 0.139589 0.217356 -0.413961 -0.250645 0.539151 1Rh 6py 0.018459 -0.004603 -1.444880 -0.622242 0.165497 -0.025936 1Rh 1dz2 -0.013439 -0.035238 0.014427 -0.026010 0.012641 0.005324 1Rh 1dxz 0.009147 -0.050116 -0.014320 0.041605 0.017382 -0.005131 1Rh 1dyz -0.035498 -0.006948 0.036320 0.001408 0.058512 0.022640 1Rh 1dx2y2 0.007066 0.066974 0.015013 0.008232 0.010733 0.011341 1Rh 1dxy -0.015712 0.031872 -0.035077 -0.017412 0.026467 0.005088 1Rh 2dz2 0.001850 0.006186 -0.003037 0.005251 -0.002243 -0.001963 1Rh 2dxz -0.001674 0.009369 0.002749 -0.009310 -0.003522 0.003135 1Rh 2dyz 0.004422 0.001409 -0.007735 -0.000329 -0.012055 -0.003602 1Rh 2dx2y2 -0.001638 -0.012369 -0.003340 -0.001269 -0.002697 -0.001696 1Rh 2dxy 0.002919 -0.006203 0.007643 0.003268 -0.003387 -0.001295 1Rh 3dz2 0.021533 0.049667 -0.018607 0.034613 -0.017964 -0.003313 1Rh 3dxz -0.012675 0.068582 0.019781 -0.051313 -0.023252 -0.002384 1Rh 3dyz 0.058926 0.009021 -0.046122 -0.001721 -0.076675 -0.034383 1Rh 3dx2y2 -0.008065 -0.092133 -0.018479 -0.012849 -0.012033 -0.017522 1Rh 3dxy 0.021938 -0.042639 0.044134 0.023919 -0.043724 -0.005571 1Rh 4dz2 0.026863 0.121144 -0.054662 0.093045 -0.043710 -0.032186 1Rh 4dxz -0.031064 0.178192 0.048804 -0.165802 -0.062950 0.052641 1Rh 4dyz 0.066664 0.027185 -0.140473 -0.004533 -0.220245 -0.068658 1Rh 4dx2y2 -0.033843 -0.236787 -0.058400 -0.019238 -0.047299 -0.035190 1Rh 4dxy 0.043110 -0.115974 0.133664 0.061046 -0.068168 -0.023994 1Rh 5dz2 0.114052 -0.416277 0.152073 -0.226597 0.129620 0.122275 1Rh 5dxz 0.063442 -0.597528 -0.111600 0.489974 0.169691 -0.268849 1Rh 5dyz 0.292219 -0.106610 0.414240 -0.009427 0.640828 0.151006 1Rh 5dx2y2 0.170372 0.814215 0.159901 -0.028611 0.151752 0.100405 1Rh 5dxy 0.072078 0.380470 -0.347035 -0.165759 0.104250 0.094408 1Rh 1f0 -0.004413 -0.005476 0.011731 0.016226 -0.001652 -0.002025 1Rh 1f+1 0.017363 0.000514 0.007452 -0.019640 -0.015206 0.002171 1Rh 1f-1 -0.005666 0.002534 0.035608 -0.012201 -0.005893 0.001546 1Rh 1f+2 -0.008841 0.003711 -0.001273 0.023921 -0.001642 0.020389 1Rh 1f-2 0.034084 0.001667 0.020299 0.011115 -0.024936 0.001618 1Rh 1f+3 -0.003418 0.006353 -0.003681 -0.031673 -0.001895 0.006136 1Rh 1f-3 -0.020337 0.004525 0.018741 -0.001668 -0.001376 0.013792 2C 1s -0.001158 0.003371 -0.004774 0.003818 0.004228 0.002708 2C 2s -0.010553 0.007472 -0.006697 0.005487 0.007309 0.007705 2C 3s 0.328108 0.031747 -0.186782 0.119086 0.130096 -0.019244 2C 4s -1.381576 -0.488571 1.154383 -0.722655 -1.030943 -0.328892 2C 5s 2.305050 -2.958435 0.921403 -0.064231 -1.792073 -2.757412 2C 1pz -0.026283 -0.035389 0.085441 -0.089574 -0.061414 -0.052853 2C 1px 0.025807 0.024890 0.084482 -0.084840 0.069003 0.044147 2C 1py -0.048602 -0.032344 0.064523 0.013774 -0.084262 0.028715 2C 2pz -0.957758 -0.243041 0.721807 -0.387605 -0.468952 -0.085496 2C 2px -0.005469 0.019088 0.194261 -0.183808 -0.301182 0.044989 2C 2py -0.569998 -0.182610 0.319856 -0.441590 -0.334105 -0.134690 2C 3pz 0.002131 -0.720645 0.336544 -0.402405 -0.768012 -0.480311 2C 3px 0.228286 -0.173256 0.536074 -0.442436 -0.033351 0.097960 2C 3py -0.112091 -0.471150 0.584436 0.084716 -0.219893 -0.487292 2C 1dz2 0.000482 0.003280 -0.014611 0.008777 -0.007162 0.016226 2C 1dxz -0.006202 -0.002300 -0.009809 0.008347 -0.002398 0.002147 2C 1dyz 0.008560 0.006529 -0.006516 0.004811 0.017817 -0.003763 2C 1dx2y2 0.003863 0.002286 0.000243 -0.004230 -0.014623 0.012970 2C 1dxy 0.002665 0.002039 -0.002840 0.003015 -0.000498 0.004036 2C 2dz2 -0.318047 -0.070091 0.117187 -0.393642 -0.173873 -0.101039 2C 2dxz -0.370293 -0.141727 0.011473 -0.091039 0.291764 -0.210163 2C 2dyz -0.514867 0.013943 0.527038 -0.344191 -0.381287 0.211375 2C 2dx2y2 0.427752 0.086857 -0.085841 -0.231299 0.058008 0.005800 2C 2dxy -0.167981 0.042652 0.244520 -0.014730 0.055074 0.165090 2C 1f0 0.007999 0.000498 -0.002473 -0.015110 -0.008631 -0.004040 2C 1f+1 -0.001607 0.003588 0.015681 -0.007576 -0.004534 0.013188 2C 1f-1 -0.034425 -0.010062 0.012243 -0.002419 -0.007263 -0.005992 2C 1f+2 -0.002257 -0.001805 -0.012549 0.005456 0.014884 -0.006106 2C 1f-2 -0.005248 -0.006819 -0.002005 0.001117 0.006953 -0.011727 2C 1f+3 -0.014337 -0.003137 0.002173 -0.011017 0.004029 -0.002952 2C 1f-3 0.007257 0.006669 0.012005 -0.011998 -0.010065 0.014284 3C 1s 0.001114 0.002974 0.003975 0.005566 -0.001728 0.002975 3C 2s 0.010837 0.004870 0.005100 0.008503 -0.005853 0.005831 3C 3s -0.344006 0.099214 0.140670 0.196217 0.030515 0.084027 3C 4s 1.461632 -0.797130 -0.818027 -1.284092 0.165977 -0.828416 3C 5s -2.721210 -2.851680 -0.178870 -1.369235 2.360217 -2.803510 3C 1pz 0.050879 -0.070383 0.054020 -0.046074 0.027711 -0.121322 3C 1px 0.008460 0.000582 -0.075595 -0.033952 -0.082939 -0.028598 3C 1py -0.022670 0.021174 0.102821 0.124029 -0.026978 -0.021598 3C 2pz 0.634923 -0.278427 -0.393314 -0.213289 0.063765 -0.189355 3C 2px 0.203934 -0.104777 -0.235750 -0.463545 0.147476 -0.012829 3C 2py -0.976228 0.402753 0.528970 0.739031 0.046347 0.401763 3C 3pz 0.251752 -0.487385 0.358385 -0.379879 0.402640 -0.191835 3C 3px -0.089731 -0.296416 -0.375235 -0.380130 -0.123232 -0.335112 3C 3py 0.184013 0.777478 0.576343 0.635051 -0.446160 0.787847 3C 1dz2 0.001685 -0.002386 -0.002494 -0.008718 0.008929 0.016090 3C 1dxz 0.002925 -0.000726 0.005171 0.004897 0.003900 0.006829 3C 1dyz 0.009911 -0.009607 -0.004153 -0.005082 -0.000325 -0.018299 3C 1dx2y2 -0.003294 -0.000055 -0.008027 -0.015649 0.002630 0.009431 3C 1dxy 0.001163 -0.001378 -0.008007 -0.008727 -0.002307 -0.002902 3C 2dz2 -0.042709 -0.035846 0.314396 0.042148 0.086386 -0.033185 3C 2dxz 0.484218 -0.132888 0.000899 0.104011 -0.233755 -0.295652 3C 2dyz -0.443728 0.022096 0.277063 0.691220 0.164179 0.007569 3C 2dx2y2 -0.396624 0.191818 0.251421 0.146525 -0.249009 -0.051165 3C 2dxy -0.462002 0.131300 0.307419 0.063111 0.129900 0.119093 3C 1f0 -0.028137 0.012754 0.009249 -0.000007 -0.011592 0.002705 3C 1f+1 -0.012898 0.007172 -0.004080 -0.016311 -0.002293 0.008660 3C 1f-1 -0.008944 -0.001526 -0.000090 0.009574 0.010384 0.001175 3C 1f+2 -0.011078 0.008427 -0.005152 0.004073 -0.009219 0.008935 3C 1f-2 -0.004088 0.002548 0.004549 0.015040 0.000173 0.003497 3C 1f+3 0.019863 -0.004675 -0.011337 -0.010160 -0.014334 -0.010061 3C 1f-3 0.002250 -0.004566 0.009784 0.023350 -0.002345 -0.013514 4C 1s -0.010839 0.007218 0.013628 -0.016448 0.000203 0.018689 4C 2s -0.027534 0.016336 0.036307 -0.044796 0.000839 0.051277 4C 3s -0.076182 0.048648 0.026015 0.109300 -0.078499 -0.256346 4C 4s 1.819471 -1.216825 -0.624607 0.293081 0.082690 -0.130073 4C 5s 3.667500 0.701820 -3.201471 2.307530 0.909272 -0.716297 4C 1pz -0.051051 -0.051478 0.072260 -0.051875 -0.128068 -0.110840 4C 1px 0.006780 -0.003228 0.060002 -0.039366 0.064967 -0.014924 4C 1py -0.022406 -0.039734 0.064092 -0.003071 -0.065610 -0.027535 4C 2pz -0.908835 -0.498867 0.629358 -0.481331 -0.587976 0.090475 4C 2px -0.188174 -0.077227 0.007781 0.029898 -0.120570 0.057061 4C 2py -0.567937 -0.342244 0.424263 -0.401562 -0.178153 -0.179608 4C 3pz 3.447283 -2.739861 0.256977 0.958897 -1.486083 -3.351687 4C 3px 0.509337 -0.497986 -0.276413 0.347179 -0.576068 -0.878476 4C 3py 2.416783 -1.873171 -0.548134 0.211612 -1.592333 -1.804109 4C 1dz2 -0.002692 0.006571 0.001475 0.004191 0.021560 -0.015958 4C 1dxz -0.002813 0.005179 -0.001514 0.003944 0.009393 -0.011120 4C 1dyz -0.010504 0.003260 -0.017249 0.010728 0.000294 0.011795 4C 1dx2y2 0.000342 -0.012303 0.007329 -0.004057 0.007713 -0.011790 4C 1dxy -0.004384 -0.005387 -0.003183 0.003119 0.000895 -0.000224 4C 2dz2 0.458479 0.095448 -0.286889 0.007217 0.322456 -0.166945 4C 2dxz 0.168746 0.149614 0.165628 -0.186962 0.469494 0.169005 4C 2dyz 0.519075 0.082045 -0.652389 0.621432 0.253895 0.087560 4C 2dx2y2 -0.150876 -0.219462 -0.214914 0.096418 0.050134 -0.497231 4C 2dxy 0.118986 -0.056063 -0.250939 0.206529 0.268665 -0.135355 4C 1f0 -0.006485 0.001305 0.004383 0.004057 -0.005569 0.004363 4C 1f+1 -0.003590 0.006473 0.017170 -0.005248 -0.003536 0.007839 4C 1f-1 -0.028779 0.001476 0.022801 -0.017914 -0.009213 0.009066 4C 1f+2 0.011508 -0.003309 -0.012473 0.007958 -0.001392 0.004121 4C 1f-2 -0.006730 0.002734 0.007651 -0.008936 -0.007157 0.008803 4C 1f+3 -0.002402 0.000229 0.009626 -0.006568 0.000149 0.002962 4C 1f-3 0.000232 0.002686 0.009846 -0.007530 0.003301 -0.000147 5C 1s 0.012048 0.004792 -0.018058 -0.012291 -0.015708 0.012001 5C 2s 0.030179 0.009813 -0.048964 -0.032833 -0.043385 0.033133 5C 3s 0.093220 0.078525 0.112277 -0.044734 0.209177 -0.191330 5C 4s -2.067157 -1.088806 0.391906 0.553492 0.153839 -0.061723 5C 5s -3.612414 1.181050 2.798872 2.948608 0.328767 0.115584 5C 1pz 0.021196 -0.043979 0.014646 -0.070389 0.032752 -0.100996 5C 1px 0.022708 -0.025276 -0.068299 -0.010386 -0.061405 -0.092665 5C 1py -0.049221 0.059972 0.051819 0.112050 -0.077552 0.066260 5C 2pz 0.478331 -0.392103 -0.390129 -0.419460 0.071909 0.055581 5C 2px 0.431593 -0.278682 -0.253922 -0.259503 0.070346 -0.140425 5C 2py -0.924703 0.685601 0.529910 0.639041 0.100582 0.403922 5C 3pz -2.551637 -1.533015 0.036236 0.064242 1.250205 -2.397585 5C 3px -1.257529 -1.002397 0.407728 -0.190887 1.348240 -1.029894 5C 3py 3.705041 2.575472 -1.168944 0.657059 -2.501271 2.791286 5C 1dz2 -0.003738 0.005742 -0.003988 0.004515 -0.008724 -0.019503 5C 1dxz 0.003945 0.007361 0.003614 0.007101 -0.003109 -0.007934 5C 1dyz -0.009178 0.000764 -0.007454 -0.016369 0.006669 0.005448 5C 1dx2y2 -0.004310 -0.012341 -0.006012 -0.003213 -0.006626 -0.015154 5C 1dxy -0.005280 -0.003122 -0.007674 -0.008250 -0.002991 -0.002356 5C 2dz2 0.173875 0.071149 -0.119800 -0.344778 -0.270252 -0.092843 5C 2dxz -0.133659 0.198886 -0.081889 -0.011408 -0.309374 0.075790 5C 2dyz 0.519923 -0.088086 -0.749552 -0.663895 -0.143203 0.003362 5C 2dx2y2 0.481297 -0.320950 0.030049 -0.003558 -0.037428 -0.597153 5C 2dxy 0.285341 -0.165852 -0.049143 -0.353516 0.268837 -0.044346 5C 1f0 -0.017076 0.004798 0.011576 0.010301 0.010618 -0.001605 5C 1f+1 -0.003795 0.005376 -0.003816 -0.003249 0.001105 0.003781 5C 1f-1 -0.001596 0.000612 0.003838 0.000707 -0.004369 -0.006352 5C 1f+2 -0.022747 0.003567 0.014728 0.011267 0.003752 0.004889 5C 1f-2 -0.015289 -0.003705 0.012885 0.019414 -0.000380 -0.004866 5C 1f+3 0.011814 0.005928 -0.012704 -0.019347 -0.010178 0.003962 5C 1f-3 -0.008546 -0.005605 0.002306 0.011618 0.000566 0.002176 6C 1s 0.012154 0.004946 0.017876 0.012055 0.015975 -0.012329 6C 2s 0.030427 0.010229 0.048472 0.032180 0.044204 -0.034071 6C 3s 0.094850 0.076547 -0.109812 0.048916 -0.219819 0.198416 6C 4s -2.076232 -1.087916 -0.378074 -0.556861 -0.117958 0.038564 6C 5s -3.652362 1.172906 -2.753873 -2.924306 -0.341560 -0.115383 6C 1pz -0.021460 0.044157 0.015202 -0.070737 0.031494 -0.101513 6C 1px -0.022269 0.025032 -0.068028 -0.010704 -0.061932 -0.092536 6C 1py 0.049666 -0.060419 0.050578 0.111507 -0.076610 0.067631 6C 2pz -0.482213 0.389275 -0.382692 -0.415908 0.060205 0.053042 6C 2px -0.431064 0.285533 -0.247896 -0.255676 0.065323 -0.138126 6C 2py 0.930814 -0.681838 0.516074 0.633861 0.121206 0.405745 6C 3pz 2.533466 1.535923 0.025511 0.063822 1.212910 -2.392258 6C 3px 1.241257 1.002136 0.412540 -0.189076 1.333751 -1.025560 6C 3py -3.699442 -2.584030 -1.157998 0.661207 -2.441235 2.785782 6C 1dz2 -0.003566 0.005784 0.004046 -0.004519 0.008626 0.019487 6C 1dxz 0.004020 0.007354 -0.003675 -0.007091 0.002996 0.008057 6C 1dyz -0.009184 0.000715 0.007472 0.016330 -0.006642 -0.005454 6C 1dx2y2 -0.004200 -0.012305 0.006023 0.003179 0.006820 0.015036 6C 1dxy -0.005228 -0.003017 0.007767 0.008249 0.003166 0.002210 6C 2dz2 0.176972 0.073753 0.118977 0.344395 0.267126 0.089712 6C 2dxz -0.132672 0.200306 0.087653 0.011977 0.303626 -0.080774 6C 2dyz 0.525331 -0.086765 0.744538 0.659762 0.146822 -0.005504 6C 2dx2y2 0.479115 -0.321260 -0.039116 0.002358 0.048672 0.601259 6C 2dxy 0.290818 -0.164862 0.043671 0.351004 -0.261419 0.048592 6C 1f0 0.017070 -0.004574 0.011180 0.010116 0.011213 -0.001542 6C 1f+1 0.003599 -0.005519 -0.004123 -0.003398 0.001568 0.003706 6C 1f-1 0.001600 -0.000612 0.003806 0.000714 -0.004361 -0.006271 6C 1f+2 0.022878 -0.003714 0.014381 0.011063 0.003876 0.004992 6C 1f-2 0.015495 0.003539 0.012941 0.019399 -0.000717 -0.004897 6C 1f+3 -0.012086 -0.006145 -0.012823 -0.019422 -0.009840 0.003877 6C 1f-3 0.008773 0.005518 0.002432 0.011724 -0.000112 0.002261 7C 1s -0.011093 0.007179 -0.013378 0.016526 -0.000424 -0.018782 7C 2s -0.028193 0.016245 -0.035583 0.045019 -0.001419 -0.051576 7C 3s -0.076714 0.047946 -0.030987 -0.111197 0.082021 0.259775 7C 4s 1.839486 -1.208678 0.633000 -0.294743 -0.073142 0.104033 7C 5s 3.719301 0.706011 3.152609 -2.329397 -0.902559 0.718136 7C 1pz 0.051731 0.050875 0.071148 -0.052928 -0.126430 -0.113763 7C 1px -0.006027 0.004963 0.059907 -0.039588 0.064848 -0.015313 7C 1py 0.022344 0.040018 0.064358 -0.004860 -0.064501 -0.029448 7C 2pz 0.913192 0.497440 0.616470 -0.495556 -0.571224 0.071752 7C 2px 0.191477 0.074958 0.005770 0.027949 -0.117484 0.052351 7C 2py 0.574137 0.342729 0.417582 -0.411821 -0.169883 -0.192492 7C 3pz -3.469399 2.725795 0.258536 0.935255 -1.451933 -3.370104 7C 3px -0.513802 0.490449 -0.279873 0.340304 -0.567894 -0.889609 7C 3py -2.435759 1.868972 -0.549341 0.198232 -1.573001 -1.824697 7C 1dz2 -0.002485 0.006469 -0.001558 -0.004214 -0.021612 0.016059 7C 1dxz -0.002798 0.005099 0.001439 -0.003997 -0.009530 0.011229 7C 1dyz -0.010475 0.003303 0.017166 -0.010618 -0.000418 -0.011646 7C 1dx2y2 0.000532 -0.012282 -0.007143 0.004174 -0.007715 0.011720 7C 1dxy -0.004399 -0.005354 0.003329 -0.003110 -0.000844 0.000429 7C 2dz2 0.462027 0.096838 0.281524 -0.011612 -0.314655 0.156861 7C 2dxz 0.163496 0.144205 -0.168857 0.181166 -0.461111 -0.180720 7C 2dyz 0.526858 0.082388 0.646778 -0.627861 -0.247619 -0.095262 7C 2dx2y2 -0.145490 -0.219300 0.214882 -0.088213 -0.058033 0.509596 7C 2dxy 0.120891 -0.057439 0.248577 -0.205497 -0.269782 0.138916 7C 1f0 0.006540 -0.001196 0.004256 0.004311 -0.005678 0.004264 7C 1f+1 0.003836 -0.006389 0.017259 -0.004967 -0.003908 0.008072 7C 1f-1 0.029133 -0.001333 0.022539 -0.018168 -0.008678 0.008465 7C 1f+2 -0.011884 0.003290 -0.012620 0.007918 -0.001192 0.004158 7C 1f-2 0.006766 -0.002932 0.007622 -0.009051 -0.006979 0.008703 7C 1f+3 0.002485 -0.000179 0.009591 -0.006680 0.000262 0.002921 7C 1f-3 -0.000051 -0.002591 0.010063 -0.007342 0.002903 0.000138 8C 1s 0.001061 0.002957 -0.004038 -0.005617 0.001743 -0.002890 8C 2s 0.010731 0.004835 -0.005408 -0.008710 0.006026 -0.005561 8C 3s -0.345346 0.098995 -0.134608 -0.192968 -0.035564 -0.087062 8C 4s 1.471429 -0.795631 0.792444 1.272030 -0.138703 0.837769 8C 5s -2.686361 -2.855291 0.181906 1.368341 -2.311101 2.796009 8C 1pz -0.050870 0.069932 0.054411 -0.046372 0.025968 -0.121154 8C 1px -0.007857 -0.002046 -0.076633 -0.034465 -0.083755 -0.026740 8C 1py 0.024121 -0.021445 0.102176 0.122963 -0.027133 -0.021490 8C 2pz -0.636323 0.278045 -0.385066 -0.211640 0.057295 -0.193130 8C 2px -0.211843 0.102415 -0.234836 -0.463471 0.141046 -0.013878 8C 2py 0.981755 -0.402326 0.514201 0.733082 0.058178 0.405361 8C 3pz -0.249438 0.487881 0.364785 -0.382279 0.392393 -0.194645 8C 3px 0.093891 0.295366 -0.381462 -0.384446 -0.133621 -0.330999 8C 3py -0.166517 -0.776502 0.566902 0.627173 -0.431126 0.786250 8C 1dz2 0.001651 -0.002455 0.002450 0.008652 -0.008903 -0.016033 8C 1dxz 0.002793 -0.000820 -0.005264 -0.004906 -0.003984 -0.006702 8C 1dyz 0.009962 -0.009577 0.004002 0.005009 0.000551 0.018341 8C 1dx2y2 -0.003271 -0.000104 0.008023 0.015560 -0.002564 -0.009510 8C 1dxy 0.001168 -0.001309 0.007997 0.008726 0.002402 0.002801 8C 2dz2 -0.041880 -0.036332 -0.314537 -0.043515 -0.084515 0.035721 8C 2dxz 0.476832 -0.134219 -0.009889 -0.103938 0.235561 0.298710 8C 2dyz -0.449930 0.019084 -0.272575 -0.689174 -0.167353 -0.004972 8C 2dx2y2 -0.401850 0.191655 -0.246460 -0.145061 0.242239 0.045887 8C 2dxy -0.461058 0.131596 -0.303011 -0.059770 -0.132842 -0.120683 8C 1f0 0.028442 -0.012810 0.009086 -0.000126 -0.011316 0.003105 8C 1f+1 0.012367 -0.007268 -0.004586 -0.016278 -0.002270 0.009026 8C 1f-1 0.008859 0.001574 -0.000333 0.009622 0.010287 0.001136 8C 1f+2 0.011181 -0.008406 -0.005269 0.004059 -0.009036 0.009137 8C 1f-2 0.004166 -0.002535 0.004492 0.014830 0.000108 0.003497 8C 1f+3 -0.019855 0.004661 -0.011117 -0.010294 -0.014225 -0.009917 8C 1f-3 -0.002027 0.004772 0.009953 0.023320 -0.002436 -0.013761 9C 1s -0.001139 0.003340 0.004790 -0.003777 -0.004327 -0.002602 9C 2s -0.010585 0.007375 0.006835 -0.005265 -0.007744 -0.007233 9C 3s 0.330789 0.032731 0.182585 -0.125117 -0.121808 0.009251 9C 4s -1.394004 -0.491045 -1.135479 0.751794 0.993916 0.374577 9C 5s 2.318415 -2.940838 -0.908326 0.082362 1.780674 2.754063 9C 1pz 0.027405 0.036092 0.082946 -0.089373 -0.060662 -0.054925 9C 1px -0.024836 -0.023223 0.084328 -0.084258 0.068326 0.045686 9C 1py 0.048871 0.031116 0.065597 0.010588 -0.083712 0.030189 9C 2pz 0.967532 0.246187 0.709959 -0.395878 -0.452820 -0.106102 9C 2px -0.000426 -0.027544 0.193327 -0.185387 -0.297955 0.043739 9C 2py 0.573724 0.180193 0.320471 -0.454369 -0.326036 -0.146798 9C 3pz 0.003526 0.714601 0.318509 -0.410429 -0.752701 -0.489591 9C 3px -0.217592 0.178035 0.536586 -0.441981 -0.032055 0.105813 9C 3py 0.105554 0.473720 0.589420 0.066497 -0.218916 -0.495452 9C 1dz2 0.000400 0.003317 0.014365 -0.008672 0.007401 -0.016470 9C 1dxz -0.006275 -0.002295 0.009742 -0.008265 0.002369 -0.002080 9C 1dyz 0.008761 0.006535 0.006510 -0.005095 -0.017678 0.003575 9C 1dx2y2 0.003806 0.002406 -0.000410 0.004374 0.014551 -0.012995 9C 1dxy 0.002680 0.002051 0.002842 -0.003098 0.000633 -0.004063 9C 2dz2 -0.313279 -0.065442 -0.113150 0.397738 0.167629 0.105691 9C 2dxz -0.378424 -0.149972 -0.008805 0.090956 -0.298167 0.215551 9C 2dyz -0.520799 0.015123 -0.521606 0.353680 0.372699 -0.199594 9C 2dx2y2 0.436398 0.091206 0.086163 0.231021 -0.058410 -0.009805 9C 2dxy -0.172405 0.035444 -0.240629 0.015369 -0.052275 -0.163139 9C 1f0 -0.008674 -0.001001 -0.002438 -0.015462 -0.008254 -0.003968 9C 1f+1 0.001300 -0.003635 0.015446 -0.007642 -0.004800 0.013173 9C 1f-1 0.034784 0.010194 0.012063 -0.002762 -0.007148 -0.006415 9C 1f+2 0.002245 0.001807 -0.012230 0.005452 0.014604 -0.005631 9C 1f-2 0.005472 0.007034 -0.001991 0.000812 0.007306 -0.011932 9C 1f+3 0.014428 0.003199 0.002086 -0.010915 0.004426 -0.003312 9C 1f-3 -0.006941 -0.006914 0.012091 -0.012406 -0.010096 0.014492 10H 1s 0.057310 0.019026 0.013416 -0.015876 -0.000000 0.016063 10H 2s -0.507049 -0.177129 -0.155186 0.280606 0.348887 -0.255446 10H 3s -0.292113 0.204830 -0.156941 0.015429 -0.130390 0.165064 10H 1pz -0.036729 -0.019094 -0.006238 0.005179 0.039693 -0.030951 10H 1px 0.017967 -0.003419 -0.000383 -0.002983 -0.033070 -0.010229 10H 1py -0.010082 -0.005278 0.006820 0.003224 0.011144 0.002945 11H 1s 0.001718 -0.019532 -0.034893 0.034437 -0.008291 -0.028728 11H 2s 0.106364 0.184203 0.362052 -0.042559 -0.288258 0.362195 11H 3s -0.222936 -0.000947 0.069301 -0.313486 -0.039574 0.104705 11H 1pz 0.008868 0.027883 0.021664 0.008974 -0.025726 0.067695 11H 1px -0.010628 -0.008024 -0.003014 0.016273 -0.029691 0.002353 11H 1py -0.001151 0.004548 -0.013874 0.003021 0.012026 0.008672 12H 1s 0.017750 -0.006312 -0.009817 0.021001 0.006720 -0.023277 12H 2s 0.153977 0.012065 -0.082679 -0.391584 -0.137197 -0.081996 12H 3s -0.325492 0.082844 0.309821 0.061864 0.101203 0.133927 12H 1pz 0.002920 0.007325 -0.010550 -0.003928 0.012999 -0.003497 12H 1px -0.014036 -0.016315 -0.018661 0.011296 -0.003763 -0.041072 12H 1py 0.025133 0.010106 -0.010196 -0.052457 0.003516 -0.010158 13H 1s -0.053718 0.024744 -0.009118 -0.017635 -0.008694 0.018642 13H 2s 0.481757 -0.201266 0.044170 0.537269 -0.074963 -0.283339 13H 3s 0.306206 0.140636 0.159677 -0.104523 -0.012763 0.260838 13H 1pz 0.020968 -0.000492 -0.020776 0.029401 -0.032061 -0.006282 13H 1px -0.017020 -0.000087 0.007542 -0.022989 0.011911 -0.005011 13H 1py -0.031113 0.021337 0.006716 -0.035505 -0.009627 0.019389 14H 1s -0.024926 0.002946 0.018358 0.007110 0.008472 -0.000305 14H 2s -0.120416 -0.004158 -0.149348 -0.183148 0.305311 0.265028 14H 3s 0.434590 0.047070 -0.003917 -0.062553 -0.298707 0.017267 14H 1pz -0.025248 0.022226 -0.038124 -0.020094 0.006847 0.052238 14H 1px 0.001619 -0.007219 0.000112 -0.004177 0.047827 0.026207 14H 1py -0.000067 0.001168 -0.004673 -0.009846 -0.019052 -0.009217 15H 1s -0.002336 -0.023292 0.042335 0.034729 0.032108 -0.039814 15H 2s -0.066332 0.182969 -0.077193 -0.470727 -0.307308 0.037657 15H 3s 0.182857 -0.040322 -0.378245 -0.018748 -0.088101 -0.073434 15H 1pz -0.003165 0.016700 -0.004731 0.013641 -0.016616 0.029583 15H 1px 0.010464 -0.006271 0.008835 0.002843 0.002895 -0.012984 15H 1py 0.005358 -0.022181 -0.006840 0.026413 0.050343 0.003212 16H 1s -0.001277 -0.011456 0.016610 -0.014121 0.003854 0.001415 16H 2s -0.082014 0.002408 0.094420 0.091280 -0.073504 0.021841 16H 3s -0.136901 0.000525 -0.073004 0.058934 0.051865 0.067630 16H 1pz -0.013457 -0.029712 0.001749 0.030901 -0.022850 0.017003 16H 1px -0.026019 -0.007582 0.054728 -0.000581 -0.011743 -0.022178 16H 1py 0.001743 0.079589 -0.028299 -0.030009 0.048102 -0.030268 17H 1s 0.002235 -0.010401 -0.000915 0.021616 -0.003335 -0.002169 17H 2s -0.008945 -0.007649 0.099435 0.005173 -0.156813 0.024906 17H 3s 0.126865 -0.014805 -0.043424 -0.091748 -0.003809 -0.043075 17H 1pz -0.002854 0.036132 -0.035205 -0.020818 0.051534 -0.004145 17H 1px 0.015007 0.025285 -0.010463 0.048718 -0.025188 0.018657 17H 1py 0.013119 0.075939 -0.038044 -0.004475 0.031274 0.010409 18H 1s 0.001480 -0.010590 0.001190 -0.021810 0.002753 0.001713 18H 2s -0.014122 -0.006034 -0.101150 -0.005800 0.151234 -0.029956 18H 3s 0.123612 -0.015515 0.040489 0.091706 0.004564 0.042077 18H 1pz 0.002316 -0.034492 -0.033803 -0.021246 0.050132 -0.005852 18H 1px -0.013820 -0.024399 -0.010242 0.049127 -0.023592 0.019798 18H 1py -0.013673 -0.077087 -0.038180 -0.005385 0.032936 0.009776 19H 1s -0.001889 -0.011398 -0.016907 0.013800 -0.003703 -0.001984 19H 2s -0.086423 0.002412 -0.093670 -0.092483 0.069364 -0.026864 19H 3s -0.138563 0.001105 0.075190 -0.056500 -0.053058 -0.068155 19H 1pz 0.013425 0.031586 0.001810 0.031521 -0.023744 0.018079 19H 1px 0.026889 0.008408 0.054766 0.000737 -0.012157 -0.020409 19H 1py -0.001518 -0.078367 -0.027129 -0.029401 0.046913 -0.031411 20H 1s -0.002715 -0.023240 -0.042123 -0.034357 -0.031765 0.040001 20H 2s -0.063163 0.184157 0.076553 0.469140 0.303780 -0.043590 20H 3s 0.185322 -0.039272 0.375576 0.014944 0.091881 0.072983 20H 1pz 0.003255 -0.016522 -0.004866 0.013738 -0.016099 0.029351 20H 1px -0.010656 0.006592 0.009286 0.002865 0.003248 -0.013550 20H 1py -0.005310 0.022452 -0.006704 0.026659 0.049821 0.002351 21H 1s -0.024900 0.002472 -0.018476 -0.007320 -0.009172 0.000418 21H 2s -0.113555 0.000344 0.158050 0.185677 -0.299242 -0.266462 21H 3s 0.425772 0.045624 -0.000402 0.065148 0.299324 -0.017322 21H 1pz 0.024606 -0.022481 -0.039046 -0.020034 0.007145 0.052930 21H 1px -0.002289 0.007473 0.000060 -0.004224 0.047563 0.025551 21H 1py -0.000084 -0.001099 -0.004506 -0.009824 -0.018550 -0.009302 22H 1s -0.053610 0.025083 0.010293 0.017787 0.008587 -0.019420 22H 2s 0.471327 -0.206470 -0.054797 -0.538198 0.074842 0.289541 22H 3s 0.307827 0.142984 -0.163696 0.102054 0.012260 -0.258818 22H 1pz -0.020398 0.000821 -0.019844 0.029275 -0.031721 -0.006821 22H 1px 0.016320 0.000156 0.007599 -0.022946 0.012086 -0.005295 22H 1py 0.030647 -0.021452 0.006304 -0.035461 -0.009004 0.020159 23H 1s 0.017225 -0.007070 0.010408 -0.021878 -0.006484 0.024091 23H 2s 0.165280 0.025377 0.073348 0.401088 0.132473 0.075170 23H 3s -0.331510 0.073384 -0.310772 -0.058917 -0.101012 -0.125025 23H 1pz -0.003455 -0.008027 -0.010166 -0.004198 0.013396 -0.002352 23H 1px 0.013634 0.015904 -0.018294 0.011311 -0.003610 -0.041396 23H 1py -0.026137 -0.011118 -0.009630 -0.052495 0.004002 -0.009995 24H 1s 0.002513 -0.019073 0.034365 -0.033445 0.008141 0.028478 24H 2s 0.104106 0.183944 -0.354946 0.036153 0.293156 -0.360324 24H 3s -0.232765 -0.003184 -0.067545 0.314510 0.029481 -0.102995 24H 1pz -0.008801 -0.028461 0.021880 0.009562 -0.026593 0.068147 24H 1px 0.010787 0.007758 -0.003336 0.016569 -0.030164 0.002068 24H 1py 0.001469 -0.003981 -0.013925 0.003589 0.011477 0.007971 25H 1s 0.057633 0.019271 -0.013851 0.015492 0.000652 -0.017487 25H 2s -0.520866 -0.191110 0.157467 -0.284262 -0.351004 0.262625 25H 3s -0.284608 0.210940 0.162307 -0.008374 0.125869 -0.157659 25H 1pz 0.037335 0.019986 -0.005934 0.005320 0.039935 -0.030850 25H 1px -0.018711 0.002608 -0.000485 -0.003696 -0.032438 -0.010950 25H 1py 0.011083 0.006287 0.006485 0.004308 0.010365 0.002070 26O 1s -0.014751 0.001887 -0.006439 0.003255 0.003116 0.002939 26O 2s -0.029926 0.000092 -0.014923 0.008111 0.004119 0.003769 26O 3s -0.078396 0.083675 -0.004187 -0.007433 0.068537 0.057952 26O 4s 1.235682 -0.680725 0.278539 -0.099267 -0.627077 -0.488531 26O 5s -3.857188 2.941776 0.414422 -0.670090 1.784270 2.365479 26O 1pz 0.009088 0.022302 0.023458 -0.016887 -0.007854 -0.000479 26O 1px 0.046576 0.002216 -0.015879 0.025150 0.017884 -0.019811 26O 1py 0.019734 0.015356 0.019624 0.003910 0.023761 -0.019960 26O 2pz 0.050320 -0.097119 0.051040 0.019048 -0.111866 -0.131101 26O 2px -0.002005 -0.097505 -0.099601 0.101244 0.051285 -0.063129 26O 2py 0.049204 -0.104523 -0.011718 0.010711 0.010697 -0.147806 26O 3pz -0.762144 0.974656 -0.394147 -0.059748 0.499685 0.596468 26O 3px 0.833415 -0.612341 -0.191638 0.129390 -0.237766 -0.522579 26O 3py -0.242197 0.398546 -0.148024 0.264428 0.120371 0.195645 26O 1dz2 -0.000394 -0.000986 -0.002173 0.000059 -0.002930 -0.001143 26O 1dxz -0.003842 -0.002648 -0.000482 -0.000283 -0.007205 -0.002368 26O 1dyz 0.001017 -0.006769 -0.004522 0.002757 -0.008925 -0.002713 26O 1dx2y2 0.004951 -0.001846 0.000209 0.001316 0.002399 0.000017 26O 1dxy 0.001985 -0.005498 -0.000758 0.000600 -0.001740 -0.006032 26O 2dz2 0.019834 -0.012360 -0.033712 0.038083 -0.028851 -0.013501 26O 2dxz -0.026461 -0.019498 0.037884 -0.019918 -0.058699 0.010760 26O 2dyz 0.053271 -0.035918 -0.031259 0.030748 -0.054762 -0.077392 26O 2dx2y2 -0.002466 0.014839 -0.004700 0.015831 -0.012746 0.006886 26O 2dxy -0.015870 -0.009681 0.026953 -0.008055 -0.012460 -0.054646 26O 1f0 0.002411 0.000071 0.002329 0.000304 0.000460 0.002781 26O 1f+1 -0.000447 -0.001366 0.003090 -0.000403 -0.002626 -0.002503 26O 1f-1 0.002702 0.003163 0.002662 -0.001113 0.000516 -0.001846 26O 1f+2 -0.003598 0.000693 -0.003567 0.002764 -0.001246 0.001564 26O 1f-2 -0.000616 -0.000915 0.001293 0.000233 -0.002330 -0.003402 26O 1f+3 -0.002119 0.001065 -0.000448 0.001210 -0.001378 -0.001148 26O 1f-3 0.000032 0.000198 0.003323 -0.000961 0.002535 -0.003583 27O 1s 0.015483 0.000765 0.002922 0.007433 -0.002504 0.005092 27O 2s 0.031155 -0.002043 0.008168 0.015847 -0.002292 0.010208 27O 3s 0.088106 0.072352 -0.027011 0.035264 -0.073333 0.021700 27O 4s -1.335748 -0.555463 0.051586 -0.587027 0.634570 -0.329404 27O 5s 4.088026 2.748450 -0.904636 0.596969 -2.498903 2.014961 27O 1pz -0.003290 0.011669 -0.005444 -0.017305 -0.007962 -0.008246 27O 1px -0.039366 -0.000680 0.014177 0.017462 0.004944 -0.047757 27O 1py 0.014694 -0.024730 0.012990 0.019872 0.005964 0.035295 27O 2pz -0.056409 -0.053091 -0.034031 -0.048766 0.076950 -0.079596 27O 2px -0.013486 -0.164614 0.057655 0.109722 0.044941 -0.184689 27O 2py 0.064452 0.125015 -0.031649 0.068170 -0.092948 0.207093 27O 3pz 0.737994 0.668088 0.186108 0.200689 -0.455004 0.520800 27O 3px -0.602297 -0.413802 0.104256 0.178764 0.199124 -0.418097 27O 3py -0.823424 -0.850913 0.133026 -0.550396 0.512506 -0.568848 27O 1dz2 0.002857 0.003895 -0.000865 0.000337 -0.003937 0.000293 27O 1dxz 0.002472 -0.001986 0.000393 -0.002689 0.004927 0.001830 27O 1dyz 0.003506 0.005711 -0.004915 0.000209 -0.006754 -0.001805 27O 1dx2y2 -0.003089 -0.000915 -0.002275 0.002289 -0.003556 -0.005799 27O 1dxy -0.001769 0.006181 -0.002513 0.003826 -0.007069 0.002895 27O 2dz2 0.013115 0.007821 -0.029992 0.004462 -0.019949 0.026400 27O 2dxz 0.000146 -0.015567 -0.014941 -0.032450 0.019578 0.015692 27O 2dyz 0.041232 0.024745 -0.037256 -0.011664 -0.067171 0.034599 27O 2dx2y2 0.020872 0.035375 -0.021668 -0.007452 -0.005437 0.031226 27O 2dxy -0.003237 0.023455 -0.009477 0.036821 -0.027010 0.038167 27O 1f0 -0.000262 -0.002815 -0.000581 -0.000127 0.000418 0.002546 27O 1f+1 0.000116 0.000532 -0.000868 -0.000710 0.000541 -0.000200 27O 1f-1 0.001066 -0.001338 0.002174 -0.001259 0.000007 -0.000756 27O 1f+2 0.003577 -0.002048 0.002444 0.001415 0.001746 -0.000376 27O 1f-2 0.002110 0.001183 0.002134 0.002679 -0.000731 0.004100 27O 1f+3 0.000641 0.000886 -0.000519 -0.001984 0.001331 -0.005106 27O 1f-3 0.002615 -0.000558 0.002211 0.000345 0.004126 0.003615 28O 1s -0.015586 0.002253 -0.006691 0.003485 0.006293 0.004964 28O 2s -0.033591 0.000601 -0.014800 0.008859 0.014364 0.009487 28O 3s -0.045893 0.087973 -0.022967 -0.010998 -0.006830 0.032405 28O 4s 1.132968 -0.703110 0.503700 -0.133009 -0.174158 -0.394224 28O 5s -3.900218 3.044496 -0.401568 -0.427254 0.968550 2.157638 28O 1pz 0.020084 0.015236 -0.012142 0.019738 -0.063153 -0.049852 28O 1px -0.029784 0.015733 0.028738 -0.025408 0.012338 0.024520 28O 1py 0.009026 0.011134 0.010187 -0.000629 -0.018098 -0.034484 28O 2pz -0.006274 -0.172325 -0.037212 0.103749 -0.215845 -0.229487 28O 2px -0.020546 0.078124 0.149469 -0.085862 0.036101 0.086025 28O 2py 0.013441 -0.087790 0.011698 -0.032082 -0.062408 -0.165885 28O 3pz -0.064326 0.541573 -0.434178 -0.153172 0.200050 0.420713 28O 3px -0.914619 0.852672 -0.178178 0.005865 0.520708 0.521282 28O 3py -0.429562 0.696334 -0.120112 0.188777 0.232088 0.490866 28O 1dz2 -0.002866 -0.004248 0.003568 -0.000015 0.003265 -0.000089 28O 1dxz -0.002053 0.003546 0.000161 -0.000497 0.006731 0.002202 28O 1dyz 0.001454 -0.006902 0.002354 -0.000050 0.007425 -0.001698 28O 1dx2y2 0.004980 -0.001368 -0.002362 0.000813 -0.002670 -0.003247 28O 1dxy 0.002257 -0.000516 -0.002111 0.002647 0.000429 0.002787 28O 2dz2 -0.014627 -0.038062 0.002240 0.025042 -0.040528 -0.027268 28O 2dxz 0.013854 -0.017171 -0.007812 -0.004173 0.001541 0.009822 28O 2dyz -0.013385 -0.049603 0.001543 0.011724 0.005704 -0.074967 28O 2dx2y2 0.013168 0.017871 -0.002202 0.016286 0.009228 0.005736 28O 2dxy -0.013756 0.003789 -0.021024 0.015587 -0.009491 0.025442 28O 1f0 -0.001927 -0.000097 0.001224 0.002248 -0.003720 -0.001162 28O 1f+1 0.001727 -0.001028 -0.000484 0.001380 -0.004538 -0.000386 28O 1f-1 0.000441 0.000749 0.001423 -0.000370 -0.004464 -0.003656 28O 1f+2 0.000969 -0.000784 0.000696 0.000090 0.004131 0.006091 28O 1f-2 0.000595 0.001811 -0.000238 0.000328 -0.001104 -0.000147 28O 1f+3 0.001570 -0.000248 -0.000631 -0.001443 -0.001248 0.002106 28O 1f-3 0.001474 -0.002437 0.000993 -0.000970 -0.001931 -0.003938 29O 1s 0.000944 0.007008 -0.000315 0.002632 0.000980 -0.002102 29O 2s 0.002301 0.018230 -0.000138 0.006436 0.001928 -0.004918 29O 3s -0.004009 -0.043127 -0.012084 -0.007959 0.006002 0.001908 29O 4s -0.032728 -0.070895 0.085722 -0.087511 -0.089473 0.098545 29O 5s 0.125610 0.107549 -0.230463 0.247328 0.286187 -0.290479 29O 1pz 0.011953 -0.022797 0.007251 0.006262 -0.000248 -0.012485 29O 1px 0.009476 0.069571 -0.013659 0.005056 0.013976 -0.013562 29O 1py 0.004065 -0.009193 -0.016476 0.002396 -0.012271 -0.002028 29O 2pz 0.016269 -0.016345 -0.013305 0.031887 -0.014194 -0.000219 29O 2px 0.021194 0.051805 -0.026000 0.022972 0.016243 -0.016726 29O 2py -0.003988 0.008092 -0.013736 -0.008086 0.001533 -0.001403 29O 3pz -0.167325 0.027406 0.057385 -0.002003 0.064843 0.033210 29O 3px -0.071595 -0.086850 0.038346 -0.162195 0.008092 0.110177 29O 3py -0.035963 -0.091085 0.222233 0.073139 -0.151604 0.053310 29O 1dz2 -0.000803 -0.000933 -0.000486 -0.001104 0.001807 0.000245 29O 1dxz 0.000777 -0.002835 -0.000831 -0.000491 -0.000323 0.000610 29O 1dyz 0.000007 -0.001000 0.000621 0.000576 0.000078 0.001025 29O 1dx2y2 0.001024 0.006271 -0.001153 0.000253 0.000546 -0.000510 29O 1dxy 0.000552 0.002056 -0.000847 -0.000350 0.001511 0.000100 29O 2dz2 0.009262 0.041549 -0.018396 -0.075766 0.038257 -0.014335 29O 2dxz 0.010903 -0.012717 -0.053833 0.050700 0.032534 0.020486 29O 2dyz -0.018451 -0.027924 0.023688 0.022129 -0.038160 0.029034 29O 2dx2y2 0.004317 0.143450 -0.020305 0.038750 0.035760 -0.012865 29O 2dxy 0.007986 0.030445 -0.073784 -0.027166 0.015865 -0.001926 29O 1f0 -0.000361 0.002208 -0.001220 0.000365 0.000074 -0.000622 29O 1f+1 0.000115 -0.001276 -0.000101 0.001793 0.000123 -0.000294 29O 1f-1 -0.000495 -0.000128 -0.001868 0.001605 -0.000403 -0.000132 29O 1f+2 -0.000350 -0.002235 0.001674 -0.001345 -0.000783 0.000082 29O 1f-2 0.000203 0.000083 0.000412 -0.003135 0.000216 0.000585 29O 1f+3 -0.000009 -0.001347 0.001125 0.001671 -0.000005 0.000027 29O 1f-3 -0.000036 0.000178 -0.001713 0.001567 -0.000907 -0.000547 30O 1s 0.015754 0.000551 0.003602 0.007752 -0.005958 0.004026 30O 2s 0.033133 -0.002825 0.008769 0.017268 -0.012910 0.005996 30O 3s 0.061737 0.077501 0.000425 0.017145 -0.006499 0.064995 30O 4s -1.246355 -0.558807 -0.223244 -0.435461 0.239998 -0.589386 30O 5s 4.406857 2.707219 -0.521440 0.326921 -1.540720 2.392161 30O 1pz -0.025860 0.006559 0.020217 -0.013745 0.055439 -0.002271 30O 1px 0.036289 0.010400 -0.040963 -0.024386 -0.022473 -0.003974 30O 1py 0.006986 -0.017471 -0.021036 0.005584 -0.057592 0.029255 30O 2pz -0.047724 -0.132114 0.046771 0.020187 0.201810 -0.080121 30O 2px 0.022965 0.051729 -0.144339 -0.122549 -0.060152 -0.031777 30O 2py -0.010285 0.173515 -0.104187 0.004694 -0.200136 0.197712 30O 3pz 0.013514 0.295457 0.322128 -0.017473 -0.279432 0.246492 30O 3px 1.234403 0.934591 -0.034395 0.352819 -0.507298 0.647476 30O 3py -0.098259 -0.661197 -0.013451 -0.302967 0.440080 -0.472864 30O 1dz2 0.003778 0.001524 -0.001913 -0.001796 0.000909 0.001149 30O 1dxz 0.003833 0.001431 -0.001402 0.002581 -0.005824 -0.002359 30O 1dyz 0.002528 0.008548 0.001254 -0.002652 0.002727 0.006491 30O 1dx2y2 -0.005636 0.003306 0.004234 -0.001042 0.005538 0.004359 30O 1dxy -0.000223 -0.000679 0.001879 -0.002926 0.003163 -0.002066 30O 2dz2 0.002931 0.004130 -0.030801 -0.022112 0.014580 0.040763 30O 2dxz -0.011644 -0.022208 -0.002401 0.024635 -0.019417 -0.015836 30O 2dyz -0.005949 0.035804 -0.012504 0.009214 -0.024914 0.068892 30O 2dx2y2 -0.014462 0.045989 -0.000187 0.010578 -0.022410 0.058105 30O 2dxy 0.013719 0.019956 -0.016788 -0.024387 0.005224 -0.013480 30O 1f0 0.000676 -0.000894 0.000872 0.000027 0.000940 0.000535 30O 1f+1 -0.001469 -0.001546 -0.000490 -0.001981 0.003449 0.001608 30O 1f-1 0.000210 0.000690 0.001612 0.000091 -0.002748 0.000549 30O 1f+2 -0.002015 -0.001189 -0.000359 0.002549 -0.003406 0.002567 30O 1f-2 0.000023 -0.002504 -0.001418 0.002425 -0.005120 -0.000150 30O 1f+3 -0.003630 -0.000138 0.001180 -0.003468 0.003086 -0.000582 30O 1f-3 -0.001172 0.001340 -0.000916 0.002949 -0.003710 0.005886 31O 1s 0.015608 0.000557 -0.003721 -0.007794 0.005996 -0.003950 31O 2s 0.032795 -0.002838 -0.008986 -0.017347 0.013002 -0.005868 31O 3s 0.061733 0.078020 -0.001765 -0.017534 0.006700 -0.063968 31O 4s -1.239764 -0.560579 0.237551 0.439529 -0.239902 0.578443 31O 5s 4.394954 2.707720 0.491873 -0.336865 1.490680 -2.373941 31O 1pz 0.025330 -0.006376 0.020337 -0.013747 0.055558 -0.002842 31O 1px -0.036356 -0.010219 -0.040753 -0.024329 -0.022084 -0.003504 31O 1py -0.006901 0.017303 -0.021723 0.005785 -0.058225 0.030178 31O 2pz 0.046961 0.132535 0.048250 0.020575 0.198483 -0.081872 31O 2px -0.024002 -0.051505 -0.146299 -0.122912 -0.057104 -0.029992 31O 2py 0.009319 -0.173801 -0.107090 0.004813 -0.196341 0.199405 31O 3pz -0.007818 -0.299149 0.318089 -0.018733 -0.285544 0.245336 31O 3px -1.224568 -0.929744 -0.023475 0.354636 -0.486409 0.639371 31O 3py 0.099256 0.665024 -0.007223 -0.301926 0.439986 -0.470073 31O 1dz2 0.003789 0.001516 0.001888 0.001772 -0.000904 -0.001132 31O 1dxz 0.003784 0.001425 0.001362 -0.002586 0.005774 0.002328 31O 1dyz 0.002577 0.008515 -0.001244 0.002651 -0.002896 -0.006498 31O 1dx2y2 -0.005525 0.003298 -0.004148 0.001061 -0.005609 -0.004374 31O 1dxy -0.000182 -0.000659 -0.001882 0.002945 -0.003147 0.002095 31O 2dz2 0.003403 0.004080 0.030488 0.021904 -0.014871 -0.040480 31O 2dxz -0.011651 -0.021431 0.002012 -0.024950 0.020740 0.016120 31O 2dyz -0.005471 0.036433 0.011989 -0.009493 0.025227 -0.068964 31O 2dx2y2 -0.014448 0.046210 0.000474 -0.010445 0.021775 -0.057764 31O 2dxy 0.014230 0.018973 0.016903 0.024628 -0.007261 0.013705 31O 1f0 -0.000697 0.000929 0.000865 0.000014 0.000991 0.000502 31O 1f+1 0.001446 0.001560 -0.000508 -0.001981 0.003457 0.001597 31O 1f-1 -0.000186 -0.000692 0.001630 0.000089 -0.002721 0.000540 31O 1f+2 0.001987 0.001149 -0.000358 0.002560 -0.003470 0.002591 31O 1f-2 -0.000007 0.002430 -0.001363 0.002459 -0.005265 -0.000085 31O 1f+3 0.003594 0.000161 0.001114 -0.003484 0.003121 -0.000571 31O 1f-3 0.001209 -0.001396 -0.000900 0.002970 -0.003776 0.005921 32O 1s 0.000820 0.006874 0.000282 -0.002653 -0.001018 0.002163 32O 2s 0.001978 0.017921 0.000030 -0.006497 -0.002077 0.005058 32O 3s -0.003157 -0.043126 0.012751 0.008184 -0.004713 -0.001935 32O 4s -0.031321 -0.064147 -0.087932 0.087751 0.083688 -0.101157 32O 5s 0.119126 0.088884 0.236150 -0.249415 -0.270001 0.296270 32O 1pz -0.012195 0.022183 0.007156 0.006283 -0.000405 -0.012016 32O 1px -0.008950 -0.069285 -0.013044 0.004723 0.014516 -0.014335 32O 1py -0.004574 0.009123 -0.016329 0.002163 -0.012212 -0.002027 32O 2pz -0.016548 0.016546 -0.013659 0.032296 -0.013619 0.000009 32O 2px -0.020237 -0.050725 -0.025590 0.022679 0.016552 -0.017710 32O 2py 0.002141 -0.008235 -0.014357 -0.007623 0.000619 -0.002156 32O 3pz 0.170241 -0.027151 0.051932 -0.003329 0.066379 0.034075 32O 3px 0.058903 0.079254 0.037279 -0.164339 0.007895 0.105585 32O 3py 0.049583 0.089839 0.223985 0.075037 -0.142758 0.061588 32O 1dz2 -0.000760 -0.000905 0.000509 0.001139 -0.001788 -0.000228 32O 1dxz 0.000788 -0.002819 0.000822 0.000485 0.000372 -0.000636 32O 1dyz -0.000010 -0.000911 -0.000554 -0.000548 -0.000162 -0.001068 32O 1dx2y2 0.001014 0.006257 0.001071 -0.000214 -0.000627 0.000603 32O 1dxy 0.000632 0.002107 0.000868 0.000379 -0.001492 -0.000022 32O 2dz2 0.009864 0.042672 0.018213 0.076355 -0.038272 0.017362 32O 2dxz 0.011531 -0.012485 0.053592 -0.050362 -0.032337 -0.019503 32O 2dyz -0.017805 -0.022338 -0.021057 -0.020321 0.034360 -0.029142 32O 2dx2y2 0.003503 0.142876 0.019535 -0.038692 -0.037025 0.013887 32O 2dxy 0.008795 0.032563 0.074581 0.027395 -0.016729 0.002694 32O 1f0 0.000248 -0.002197 -0.001143 0.000279 0.000045 -0.000687 32O 1f+1 -0.000081 0.001326 -0.000106 0.001883 0.000146 -0.000265 32O 1f-1 0.000442 0.000107 -0.001911 0.001505 -0.000410 -0.000203 32O 1f+2 0.000398 0.002212 0.001710 -0.001291 -0.000800 0.000104 32O 1f-2 -0.000257 -0.000049 0.000477 -0.003176 0.000135 0.000579 32O 1f+3 0.000058 0.001379 0.001127 0.001587 0.000003 0.000088 32O 1f-3 0.000055 -0.000198 -0.001765 0.001617 -0.000870 -0.000495 33O 1s -0.015511 0.002243 0.006789 -0.003410 -0.006327 -0.004897 33O 2s -0.033437 0.000575 0.015021 -0.008705 -0.014404 -0.009356 33O 3s -0.045314 0.088188 0.023090 0.011538 0.005742 -0.031669 33O 4s 1.126071 -0.704945 -0.508167 0.126652 0.182345 0.385239 33O 5s -3.913111 3.038295 0.407047 0.420715 -0.960804 -2.163669 33O 1pz -0.019935 -0.015145 -0.011906 0.019556 -0.062481 -0.051110 33O 1px 0.030223 -0.015340 0.028775 -0.025372 0.012042 0.024867 33O 1py -0.008814 -0.010972 0.010369 -0.000892 -0.017805 -0.035296 33O 2pz 0.006917 0.172659 -0.038156 0.101043 -0.212208 -0.234818 33O 2px 0.023367 -0.077243 0.150754 -0.083502 0.033009 0.089469 33O 2py -0.013139 0.088540 0.011753 -0.033107 -0.060791 -0.167952 33O 3pz 0.038633 -0.553711 -0.430027 -0.153560 0.201382 0.428901 33O 3px 0.926086 -0.844660 -0.176642 0.008197 0.520747 0.518221 33O 3py 0.423796 -0.700771 -0.120213 0.191521 0.228464 0.490417 33O 1dz2 -0.002958 -0.004354 -0.003513 0.000079 -0.003295 0.000158 33O 1dxz -0.002132 0.003459 -0.000154 0.000451 -0.006700 -0.002243 33O 1dyz 0.001393 -0.007024 -0.002289 0.000097 -0.007448 0.001773 33O 1dx2y2 0.005085 -0.001288 0.002342 -0.000839 0.002721 0.003204 33O 1dxy 0.002254 -0.000520 0.002090 -0.002671 -0.000406 -0.002882 33O 2dz2 -0.014983 -0.037951 -0.002200 -0.024535 0.041064 0.027440 33O 2dxz 0.014071 -0.017412 0.008352 0.004830 -0.002630 -0.009438 33O 2dyz -0.013130 -0.050016 -0.001248 -0.012185 -0.005833 0.075272 33O 2dx2y2 0.012806 0.018458 0.001368 -0.016587 -0.008599 -0.006284 33O 2dxy -0.013987 0.003655 0.021028 -0.015412 0.009166 -0.025707 33O 1f0 0.001979 0.000101 0.001218 0.002272 -0.003767 -0.001207 33O 1f+1 -0.001742 0.000959 -0.000445 0.001425 -0.004594 -0.000334 33O 1f-1 -0.000434 -0.000758 0.001469 -0.000337 -0.004463 -0.003613 33O 1f+2 -0.000969 0.000829 0.000614 0.000044 0.004173 0.006105 33O 1f-2 -0.000569 -0.001829 -0.000225 0.000400 -0.001156 -0.000122 33O 1f+3 -0.001580 0.000238 -0.000657 -0.001439 -0.001245 0.002149 33O 1f-3 -0.001480 0.002417 0.000974 -0.000941 -0.001978 -0.003920 34O 1s 0.015320 0.000743 -0.003049 -0.007456 0.002430 -0.005102 34O 2s 0.030833 -0.002080 -0.008402 -0.015885 0.002132 -0.010256 34O 3s 0.086931 0.072077 0.025701 -0.035630 0.073381 -0.021176 34O 4s -1.320718 -0.553946 -0.037450 0.589750 -0.627951 0.325597 34O 5s 4.061054 2.756242 0.877456 -0.600599 2.436513 -2.002732 34O 1pz 0.003362 -0.011705 -0.005264 -0.017666 -0.007834 -0.008490 34O 1px 0.039344 0.001172 0.014128 0.017293 0.004686 -0.048043 34O 1py -0.014249 0.024765 0.012955 0.019985 0.006083 0.036189 34O 2pz 0.055474 0.053466 -0.033938 -0.049111 0.075960 -0.080395 34O 2px 0.014088 0.165775 0.059777 0.110283 0.038872 -0.185286 34O 2py -0.063228 -0.125620 -0.032607 0.068000 -0.089638 0.208788 34O 3pz -0.726907 -0.670303 0.191922 0.200363 -0.440026 0.519344 34O 3px 0.618344 0.420855 0.100665 0.178674 0.194304 -0.408092 34O 3py 0.811883 0.851733 0.127564 -0.550958 0.495039 -0.569219 34O 1dz2 0.002864 0.003939 0.000848 -0.000347 0.003886 -0.000288 34O 1dxz 0.002510 -0.002006 -0.000454 0.002684 -0.004876 -0.001792 34O 1dyz 0.003465 0.005751 0.004902 -0.000204 0.006641 0.001815 34O 1dx2y2 -0.003178 -0.000944 0.002308 -0.002257 0.003519 0.005782 34O 1dxy -0.001874 0.006223 0.002573 -0.003804 0.006912 -0.002951 34O 2dz2 0.013307 0.007597 0.029809 -0.005064 0.020751 -0.026914 34O 2dxz 0.000243 -0.015494 0.015023 0.032323 -0.019397 -0.015449 34O 2dyz 0.041822 0.025495 0.037181 0.011916 0.067080 -0.034216 34O 2dx2y2 0.021460 0.036112 0.022199 0.008020 0.003952 -0.030207 34O 2dxy -0.003590 0.022770 0.009031 -0.037253 0.027309 -0.038162 34O 1f0 0.000252 0.002822 -0.000592 -0.000109 0.000366 0.002578 34O 1f+1 -0.000113 -0.000544 -0.000906 -0.000754 0.000624 -0.000268 34O 1f-1 -0.001069 0.001349 0.002195 -0.001243 -0.000033 -0.000754 34O 1f+2 -0.003604 0.002065 0.002490 0.001416 0.001700 -0.000433 34O 1f-2 -0.002105 -0.001173 0.002163 0.002696 -0.000745 0.004087 34O 1f+3 -0.000654 -0.000906 -0.000544 -0.002029 0.001452 -0.005185 34O 1f-3 -0.002622 0.000595 0.002294 0.000395 0.004042 0.003600 35O 1s -0.014728 0.001836 0.006517 -0.003250 -0.003075 -0.002870 35O 2s -0.029835 -0.000003 0.015112 -0.008105 -0.003973 -0.003649 35O 3s -0.079065 0.083233 0.004040 0.007680 -0.069767 -0.057043 35O 4s 1.239482 -0.673721 -0.280631 0.097945 0.631574 0.479725 35O 5s -3.882774 2.918705 -0.411244 0.654727 -1.768744 -2.375015 35O 1pz -0.009198 -0.022742 0.023875 -0.017134 -0.007062 -0.000998 35O 1px -0.046833 -0.002313 -0.015377 0.024728 0.018245 -0.020519 35O 1py -0.020361 -0.015421 0.020060 0.003337 0.024094 -0.020530 35O 2pz -0.051172 0.095325 0.050920 0.017193 -0.109532 -0.133091 35O 2px 0.000498 0.096458 -0.099765 0.098235 0.054990 -0.067022 35O 2py -0.051854 0.103739 -0.011998 0.008401 0.012424 -0.150406 35O 3pz 0.763854 -0.966201 -0.391995 -0.055332 0.493330 0.592713 35O 3px -0.835506 0.616661 -0.193052 0.129965 -0.241937 -0.522966 35O 3py 0.249204 -0.392298 -0.146452 0.268302 0.121320 0.195292 35O 1dz2 -0.000349 -0.000900 0.002184 -0.000041 0.002899 0.001131 35O 1dxz -0.003782 -0.002542 0.000544 0.000371 0.007120 0.002509 35O 1dyz 0.001158 -0.006610 0.004588 -0.002694 0.008910 0.002787 35O 1dx2y2 0.004887 -0.001885 -0.000241 -0.001329 -0.002373 -0.000038 35O 1dxy 0.002071 -0.005466 0.000788 -0.000549 0.001706 0.006091 35O 2dz2 0.020044 -0.011637 0.033980 -0.037302 0.028341 0.013418 35O 2dxz -0.027228 -0.019125 -0.037728 0.020178 0.058793 -0.010897 35O 2dyz 0.054044 -0.035554 0.031556 -0.030519 0.055277 0.077225 35O 2dx2y2 -0.003006 0.014317 0.004043 -0.016275 0.013147 -0.007105 35O 2dxy -0.015682 -0.010164 -0.027046 0.007908 0.013207 0.054290 35O 1f0 -0.002375 -0.000037 0.002351 0.000328 0.000404 0.002835 35O 1f+1 0.000499 0.001403 0.003114 -0.000385 -0.002650 -0.002513 35O 1f-1 -0.002673 -0.003113 0.002727 -0.001062 0.000474 -0.001786 35O 1f+2 0.003579 -0.000735 -0.003600 0.002736 -0.001152 0.001477 35O 1f-2 0.000620 0.000893 0.001277 0.000211 -0.002301 -0.003436 35O 1f+3 0.002087 -0.001059 -0.000432 0.001189 -0.001375 -0.001203 35O 1f-3 0.000004 -0.000109 0.003373 -0.000922 0.002460 -0.003585 294 295 296 297 298 299 1.25384 1.26175 1.29172 1.30151 1.31896 1.32894 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s 0.000029 -0.003312 0.000198 -0.000579 0.000133 0.000141 0Rh 2s 0.000127 0.011767 -0.000849 0.001135 0.001233 -0.000432 0Rh 3s 0.000249 -0.012154 0.000636 -0.002694 0.001539 0.000557 0Rh 4s -0.000655 -0.054842 0.004047 -0.004932 -0.006305 0.001976 0Rh 5s 0.002336 0.040067 -0.004810 -0.005406 0.020909 -0.000564 0Rh 6s -0.005868 0.160162 -0.003593 0.052266 -0.050584 -0.009787 0Rh 7s 0.047089 -0.169078 -0.013357 -0.343256 -0.129008 0.073968 0Rh 8s 0.077186 -0.487910 0.025849 -0.001572 0.273150 0.029160 0Rh 1pz 0.004452 -0.006612 -0.003333 -0.005670 0.000159 -0.009800 0Rh 1px -0.002278 0.019386 -0.002353 0.016925 0.002268 -0.007432 0Rh 1py 0.008359 0.004054 0.000677 0.021039 0.007314 -0.001909 0Rh 2pz -0.014620 0.021904 0.011188 0.019215 -0.000495 0.033003 0Rh 2px 0.007644 -0.064294 0.007837 -0.057174 -0.007627 0.025070 0Rh 2py -0.027060 -0.013541 -0.002276 -0.070411 -0.024479 0.006513 0Rh 3pz -0.005940 0.004689 -0.000121 -0.005136 -0.001005 -0.001150 0Rh 3px -0.000411 -0.012025 0.001070 0.011859 0.001518 -0.003105 0Rh 3py -0.019746 -0.000630 0.000022 -0.002763 -0.001229 -0.002372 0Rh 4pz 0.105041 -0.141457 -0.065992 -0.085202 0.008829 -0.196154 0Rh 4px -0.040964 0.406092 -0.049557 0.263482 0.028313 -0.131819 0Rh 4py 0.231885 0.079111 0.013628 0.416051 0.147665 -0.027533 0Rh 5pz -0.151243 0.232343 0.135838 0.112831 -0.031943 0.376698 0Rh 5px 0.062388 -0.645812 0.088635 -0.332288 0.032813 0.212859 0Rh 5py -0.364309 -0.135511 -0.025590 -0.682270 -0.273319 0.038816 0Rh 6pz -0.228369 -0.544525 -1.578703 -0.152588 0.142766 -2.434153 0Rh 6px -0.250196 1.211671 -0.578217 0.086292 -1.152819 -0.856281 0Rh 6py 0.129367 0.685947 0.121681 2.284138 2.455220 0.041617 0Rh 1dz2 -0.025742 -0.016955 -0.010175 -0.003240 0.016366 0.022148 0Rh 1dxz -0.004368 -0.022331 -0.012209 0.001441 0.022775 -0.020890 0Rh 1dyz -0.064455 -0.003896 -0.050347 -0.008045 0.001689 0.019882 0Rh 1dx2y2 -0.003292 0.031515 -0.012116 -0.011616 -0.043379 -0.004897 0Rh 1dxy -0.039396 0.017988 -0.017954 0.021933 0.021066 0.005003 0Rh 2dz2 0.004602 0.002573 0.003994 0.000119 -0.003385 -0.003720 0Rh 2dxz 0.001770 0.002755 0.000760 -0.000337 -0.004371 0.003457 0Rh 2dyz 0.011557 0.000499 0.012158 0.001562 -0.001151 -0.003169 0Rh 2dx2y2 0.000036 -0.004676 0.002025 0.001970 0.006760 0.000904 0Rh 2dxy 0.009382 -0.002414 0.004566 -0.004299 -0.002220 -0.000332 0Rh 3dz2 0.036768 0.026032 0.005168 0.006748 -0.021672 -0.033397 0Rh 3dxz 0.001981 0.037140 0.023773 -0.001748 -0.031932 0.031867 0Rh 3dyz 0.092067 0.006373 0.058644 0.011207 0.001238 -0.030667 0Rh 3dx2y2 0.007254 -0.049014 0.017987 0.017141 0.067132 0.007005 0Rh 3dxy 0.046454 -0.029157 0.019982 -0.030395 -0.037260 -0.009618 0Rh 4dz2 0.087580 0.053646 0.071149 0.003631 -0.062214 -0.071833 0Rh 4dxz 0.030066 0.060921 0.021676 -0.007552 -0.080969 0.067424 0Rh 4dyz 0.219137 0.011896 0.232227 0.027428 -0.019471 -0.061633 0Rh 4dx2y2 0.001216 -0.096849 0.042629 0.041404 0.135208 0.017224 0Rh 4dxy 0.165841 -0.050998 0.086431 -0.076435 -0.051269 -0.009318 0Rh 5dz2 -0.241530 -0.172451 -0.390017 0.016990 0.199329 0.210644 0Rh 5dxz -0.131464 -0.180328 -0.021288 0.047471 0.241429 -0.217908 0Rh 5dyz -0.608708 -0.053064 -1.086745 -0.066708 0.115465 0.155543 0Rh 5dx2y2 0.034909 0.296306 -0.179270 -0.169920 -0.388131 -0.055938 0Rh 5dxy -0.532412 0.138352 -0.412838 0.195672 0.128718 0.008358 0Rh 1f0 0.006446 -0.018544 -0.009213 -0.020701 -0.014733 -0.031396 0Rh 1f+1 -0.001469 0.007549 0.003553 -0.015918 -0.009641 0.009468 0Rh 1f-1 0.016731 -0.002195 0.011143 -0.037053 -0.025711 0.062260 0Rh 1f+2 -0.000228 0.012619 -0.021891 -0.045988 -0.028931 -0.063456 0Rh 1f-2 -0.010472 0.003642 0.000753 -0.039001 -0.023369 0.012078 0Rh 1f+3 0.005359 0.021435 0.008391 -0.006123 -0.003107 0.037759 0Rh 1f-3 0.004742 0.009243 -0.003978 -0.008678 -0.003933 -0.010608 1Rh 1s -0.000180 -0.003299 0.000227 0.000548 0.000155 -0.000131 1Rh 2s 0.000410 0.011747 -0.000889 -0.001026 0.001169 0.000536 1Rh 3s -0.000805 -0.012092 0.000785 0.002577 0.001631 -0.000435 1Rh 4s -0.001846 -0.054757 0.004207 0.004423 -0.006015 -0.002507 1Rh 5s -0.000497 0.040231 -0.004310 0.005773 0.020865 0.002285 1Rh 6s 0.013032 0.158964 -0.006595 -0.050749 -0.052166 0.005717 1Rh 7s -0.054975 -0.162144 0.008376 0.350738 -0.113926 -0.081068 1Rh 8s -0.098975 -0.481057 0.019930 -0.008958 0.272341 -0.007483 1Rh 1pz 0.004812 0.006684 0.002885 -0.005979 0.000625 -0.009752 1Rh 1px -0.003290 -0.019123 0.003250 0.016737 -0.001044 -0.007482 1Rh 1py 0.008029 -0.004562 0.000991 0.021144 -0.006363 -0.002666 1Rh 2pz -0.015813 -0.022150 -0.009677 0.020254 -0.002130 0.032839 1Rh 2px 0.011002 0.063416 -0.010873 -0.056560 0.003500 0.025231 1Rh 2py -0.025954 0.015186 -0.003312 -0.070759 0.021275 0.009050 1Rh 3pz -0.006206 -0.004579 -0.000126 -0.005148 0.000781 -0.001128 1Rh 3px 0.000129 0.011930 -0.000282 0.012208 -0.000981 -0.003021 1Rh 3py -0.019730 0.001844 -0.000127 -0.002797 0.001499 -0.002269 1Rh 4pz 0.112795 0.142427 0.058547 -0.091401 0.008259 -0.195279 1Rh 4px -0.061670 -0.400761 0.062795 0.258272 -0.007342 -0.132357 1Rh 4py 0.225551 -0.093257 0.018825 0.418264 -0.130274 -0.042803 1Rh 5pz -0.164066 -0.233980 -0.124875 0.125984 -0.002062 0.375198 1Rh 5px 0.094070 0.637393 -0.104485 -0.320336 -0.063461 0.207859 1Rh 5py -0.353524 0.157617 -0.026953 -0.686852 0.244995 0.067270 1Rh 6pz -0.191108 0.561686 1.545465 -0.329729 0.082224 -2.391506 1Rh 6px -0.292392 -1.183491 0.574840 -0.018178 1.229046 -0.746646 1Rh 6py 0.067401 -0.692699 0.043911 2.345564 -2.359858 -0.202674 1Rh 1dz2 0.025227 -0.018105 -0.010435 0.002619 0.017876 -0.019996 1Rh 1dxz 0.003485 -0.022946 -0.012196 -0.000467 0.020696 0.022176 1Rh 1dyz 0.064153 -0.007350 -0.050048 0.010673 0.002141 -0.018737 1Rh 1dx2y2 0.004363 0.031319 -0.011111 0.013952 -0.043638 0.001658 1Rh 1dxy 0.040408 0.015797 -0.020024 -0.021476 0.019890 -0.002413 1Rh 2dz2 -0.004533 0.002795 0.004045 -0.000143 -0.003661 0.003329 1Rh 2dxz -0.001685 0.002895 0.000768 0.000338 -0.003994 -0.003719 1Rh 2dyz -0.011538 0.001097 0.012110 -0.002138 -0.001231 0.002795 1Rh 2dx2y2 -0.000181 -0.004700 0.001842 -0.002327 0.006826 -0.000456 1Rh 2dxy -0.009510 -0.001897 0.004933 0.004139 -0.001973 0.000057 1Rh 3dz2 -0.035945 0.027607 0.005518 -0.005266 -0.023853 0.030308 1Rh 3dxz -0.000414 0.037898 0.023710 -0.000414 -0.028907 -0.033610 1Rh 3dyz -0.091488 0.011412 0.058186 -0.014531 0.000579 0.029736 1Rh 3dx2y2 -0.008972 -0.048468 0.016559 -0.020769 0.067430 -0.001739 1Rh 3dxy -0.048125 -0.026541 0.023005 0.030073 -0.035690 0.005048 1Rh 4dz2 -0.086069 0.057829 0.072168 -0.003654 -0.067396 0.064172 1Rh 4dxz -0.027953 0.063451 0.021886 0.006600 -0.073816 -0.072166 1Rh 4dyz -0.218606 0.023292 0.231319 -0.038645 -0.020973 0.054902 1Rh 4dx2y2 -0.004387 -0.097186 0.038992 -0.048759 0.136283 -0.008006 1Rh 4dxy -0.168635 -0.041859 0.093142 0.073487 -0.046866 0.002809 1Rh 5dz2 0.236975 -0.184961 -0.394036 -0.007774 0.214665 -0.183434 1Rh 5dxz 0.125316 -0.188670 -0.023878 -0.048193 0.217935 0.231873 1Rh 5dyz 0.608345 -0.083338 -1.083911 0.117517 0.118908 -0.122090 1Rh 5dx2y2 -0.024458 0.300890 -0.165765 0.193501 -0.390532 0.032003 1Rh 5dxy 0.540070 0.109135 -0.428752 -0.178860 0.115415 0.011806 1Rh 1f0 0.007602 0.017965 0.007597 -0.021829 0.016484 -0.029201 1Rh 1f+1 -0.001723 -0.007223 -0.004426 -0.015941 0.008628 0.010294 1Rh 1f-1 0.016870 0.001407 -0.013363 -0.035714 0.018059 0.064068 1Rh 1f+2 -0.000496 -0.012862 0.018690 -0.049008 0.032441 -0.060035 1Rh 1f-2 -0.010347 -0.003047 -0.003057 -0.039471 0.021104 0.014316 1Rh 1f+3 0.004135 -0.021375 -0.008330 -0.005307 -0.000365 0.037134 1Rh 1f-3 0.004273 -0.009581 0.003254 -0.009209 0.004122 -0.010299 2C 1s -0.000276 0.004715 -0.004824 -0.002825 0.001090 -0.000937 2C 2s -0.001239 0.016739 -0.022633 -0.005554 0.005488 -0.007633 2C 3s -0.013367 -0.268643 0.420161 0.001034 -0.084384 0.157979 2C 4s 0.275963 1.132564 -1.958906 0.235861 0.362108 -0.790104 2C 5s 2.394030 0.172069 -3.250203 1.309962 -0.272394 0.194511 2C 1pz -0.038174 -0.013736 -0.059021 0.032474 0.011324 -0.034254 2C 1px -0.007580 -0.090643 -0.005630 -0.012821 0.067716 0.017397 2C 1py 0.062532 0.005093 -0.062915 0.003152 0.011796 -0.041206 2C 2pz 0.138188 0.524459 -0.687412 0.132790 0.092908 -0.296053 2C 2px -0.208654 -0.010196 -0.084604 0.061687 -0.056890 -0.096068 2C 2py -0.021636 0.375405 -0.396764 0.181647 0.119534 -0.145897 2C 3pz 0.456630 0.287020 -1.232272 0.479539 -0.044239 -0.150552 2C 3px 0.324905 -0.468789 -0.224166 0.096965 0.152383 0.090559 2C 3py 0.238540 0.291347 -0.739944 0.001234 0.113233 -0.325963 2C 1dz2 0.011585 0.002339 0.008568 -0.003212 -0.000634 0.011006 2C 1dxz 0.009135 0.008585 0.005525 -0.000586 -0.007851 0.003924 2C 1dyz -0.009965 -0.001832 0.014314 -0.006788 -0.007436 0.010014 2C 1dx2y2 0.001547 -0.005937 -0.003392 0.004181 0.001600 -0.005832 2C 1dxy 0.000934 0.000125 0.004589 -0.001504 -0.003597 -0.001010 2C 2dz2 -0.197313 0.173569 -0.176822 0.138266 -0.006363 -0.068679 2C 2dxz 0.311602 0.258033 -0.173160 0.078171 0.158290 -0.032875 2C 2dyz -0.217166 0.090669 -0.225844 0.034421 0.070729 -0.197547 2C 2dx2y2 -0.243342 -0.310018 0.192869 0.048062 -0.005295 0.097903 2C 2dxy 0.162980 -0.075708 -0.083267 -0.031117 0.046303 -0.048869 2C 1f0 -0.017018 -0.003130 0.005725 -0.004108 0.000469 0.001991 2C 1f+1 -0.004057 -0.011730 -0.000022 -0.006243 -0.000385 -0.000044 2C 1f-1 0.011258 0.023414 -0.005589 -0.006164 -0.007346 0.009784 2C 1f+2 0.011008 0.007336 0.000188 0.005281 0.002934 -0.005562 2C 1f-2 0.014766 0.011851 -0.011061 0.000693 0.007987 0.002780 2C 1f+3 -0.002698 0.008790 0.006891 0.004286 0.003428 0.004088 2C 1f-3 -0.018661 -0.017812 0.007865 0.003350 -0.002765 0.005992 3C 1s -0.000126 0.004792 0.003137 0.001733 -0.000139 0.000027 3C 2s 0.001215 0.017338 0.016621 0.000282 0.000209 -0.003242 3C 3s -0.038961 -0.290087 -0.337018 0.112934 0.001719 0.044889 3C 4s 0.069153 1.275957 1.619011 -0.794088 -0.017395 -0.230154 3C 5s -1.623620 0.707580 3.430554 -0.694947 -0.287083 -1.124108 3C 1pz 0.029542 0.070828 0.063564 -0.036160 -0.001000 0.020132 3C 1px -0.021137 -0.056926 -0.003659 -0.028033 -0.040805 0.016097 3C 1py -0.010662 0.044373 -0.061892 0.038904 -0.011957 0.009698 3C 2pz -0.053716 0.411940 0.262423 -0.194440 0.012606 -0.224760 3C 2px 0.202532 0.150782 0.230006 -0.054113 0.116660 -0.088627 3C 2py -0.074402 -0.549920 -0.540093 0.349622 0.000468 0.155501 3C 3pz -0.267931 0.624965 0.551552 -0.356041 -0.091773 -0.023828 3C 3px -0.293986 -0.144336 0.434023 -0.176970 0.052055 0.036000 3C 3py 0.049344 -0.267216 -1.217597 0.290102 0.108734 0.412843 3C 1dz2 -0.014946 -0.000023 0.001593 -0.004328 -0.001320 -0.002957 3C 1dxz -0.010087 0.004157 -0.005138 0.002705 -0.000913 0.003296 3C 1dyz 0.005115 0.005919 0.011617 -0.008356 0.002764 -0.003482 3C 1dx2y2 -0.004484 -0.006342 0.010884 -0.009672 0.006454 -0.003843 3C 1dxy 0.002118 -0.004886 0.005339 -0.007601 -0.001874 -0.004061 3C 2dz2 0.037424 0.117949 -0.025131 0.027006 0.025280 0.080233 3C 2dxz -0.166121 0.238561 0.058993 -0.133433 -0.168175 0.030606 3C 2dyz -0.443992 -0.007733 -0.219358 0.099110 -0.118830 -0.047634 3C 2dx2y2 0.008147 -0.340994 -0.178139 0.107682 -0.076133 0.221838 3C 2dxy 0.161806 -0.168959 -0.071521 0.134679 0.062130 0.100164 3C 1f0 0.009463 -0.025221 0.006140 -0.003698 0.002707 0.004062 3C 1f+1 0.014671 -0.016794 0.001654 0.006202 0.008097 -0.001775 3C 1f-1 -0.008821 0.003980 0.001803 -0.001035 -0.001053 0.003295 3C 1f+2 0.003997 -0.015602 -0.008294 0.000789 0.002476 -0.009040 3C 1f-2 -0.003418 0.000526 -0.003662 -0.005736 0.001192 -0.010851 3C 1f+3 -0.000935 0.000342 0.000031 0.004149 -0.010802 0.011884 3C 1f-3 -0.022389 0.012346 0.000187 -0.004284 -0.011128 -0.008256 4C 1s -0.014597 -0.018271 -0.018570 0.000934 0.008970 -0.010093 4C 2s -0.040423 -0.052459 -0.056441 0.004654 0.027881 -0.032604 4C 3s 0.177619 0.374001 0.648348 -0.114841 -0.322725 0.499701 4C 4s 0.136233 -1.454586 -1.802394 0.564936 1.117693 -1.665816 4C 5s 0.131426 0.059247 0.345758 0.461502 0.068950 -1.743447 4C 1pz 0.006382 0.096296 -0.082553 -0.010104 0.014384 -0.161949 4C 1px 0.089065 -0.004656 -0.047378 -0.029565 0.079079 -0.040070 4C 1py 0.066617 0.060773 -0.081489 0.174000 0.012875 0.037497 4C 2pz 0.106698 0.393404 -0.947950 0.198670 0.262887 -0.393458 4C 2px -0.069732 0.090475 -0.343784 0.229855 0.180132 -0.388433 4C 2py -0.120814 0.262931 -0.677156 0.043524 0.250927 -0.521979 4C 3pz 2.542623 0.547757 -4.349217 1.150087 0.193568 -1.474207 4C 3px -0.124291 0.481471 -1.274751 0.224371 0.260431 -0.451138 4C 3py 1.925695 0.342251 -3.101131 1.569058 0.129485 -0.473178 4C 1dz2 -0.011001 0.006914 0.011403 -0.006185 -0.001018 0.009414 4C 1dxz -0.001411 0.008307 0.002299 -0.004294 -0.011627 0.007800 4C 1dyz 0.007078 0.006612 0.008750 -0.004641 -0.010964 0.003805 4C 1dx2y2 -0.010044 -0.005228 -0.013956 0.004760 0.001052 -0.015404 4C 1dxy 0.000011 0.004356 0.001750 -0.001126 0.009111 -0.005542 4C 2dz2 -0.341556 -0.280519 0.512862 -0.113584 -0.151958 0.346879 4C 2dxz -0.012748 -0.498054 0.280137 -0.070511 0.057642 0.228431 4C 2dyz 0.167713 -0.123386 0.347944 -0.119602 -0.180687 0.132202 4C 2dx2y2 0.228340 0.568938 -0.620238 0.211212 -0.004013 -0.424878 4C 2dxy 0.284170 0.199458 -0.094134 0.053682 0.317140 -0.179143 4C 1f0 0.001503 0.002009 0.014419 -0.002940 -0.001642 0.013415 4C 1f+1 -0.003429 -0.007176 0.038521 -0.020377 -0.018694 0.038977 4C 1f-1 -0.005457 0.011732 -0.022198 -0.000279 0.002245 -0.002226 4C 1f+2 0.012012 -0.002618 -0.018022 0.001229 0.005754 -0.024181 4C 1f-2 -0.007420 0.000829 -0.007193 -0.000258 0.003474 -0.004317 4C 1f+3 0.000476 0.001071 -0.002886 -0.009662 0.001294 -0.000713 4C 1f-3 0.003521 -0.004933 0.039132 -0.013378 -0.016307 0.045863 5C 1s 0.013751 -0.018060 0.020350 -0.004150 0.005382 -0.005437 5C 2s 0.037841 -0.051610 0.061223 -0.014787 0.016780 -0.018749 5C 3s -0.157171 0.330773 -0.650251 0.268593 -0.212837 0.354475 5C 4s -0.161951 -1.255087 1.850841 -1.016450 0.840353 -1.297391 5C 5s -0.648304 0.187141 -0.468747 -1.364124 0.029389 -0.832586 5C 1pz 0.013024 0.087827 0.064382 -0.002341 0.035447 -0.186410 5C 1px -0.090907 0.031115 0.018504 -0.031026 -0.038066 -0.055742 5C 1py 0.007802 -0.083378 -0.066575 0.158970 0.005109 -0.056147 5C 2pz -0.070812 0.281554 0.533599 -0.387923 0.231422 -0.162150 5C 2px 0.092634 0.061322 0.137894 -0.024690 -0.355951 0.059772 5C 2py -0.208639 -0.516976 -0.876464 0.419767 -0.264706 0.473394 5C 3pz -0.883408 0.570705 2.713840 -0.851213 0.033601 -1.267728 5C 3px -0.175480 0.542042 1.424977 -0.567420 -0.710334 -0.792750 5C 3py 2.070697 -1.280465 -4.312381 2.108177 0.257775 0.934177 5C 1dz2 0.014802 -0.002058 0.000673 0.005191 -0.004727 0.007579 5C 1dxz 0.005325 0.004486 -0.013796 0.008617 0.000787 0.009517 5C 1dyz -0.008201 -0.004312 0.009121 -0.006571 0.001243 -0.000921 5C 1dx2y2 0.013915 -0.008398 0.012494 -0.009842 0.004934 -0.006372 5C 1dxy 0.003845 -0.008526 0.003921 -0.003677 0.007096 -0.005607 5C 2dz2 0.443249 -0.263925 -0.018266 0.130965 0.024606 0.223861 5C 2dxz 0.117592 -0.495261 -0.453442 0.297310 -0.055521 0.308541 5C 2dyz -0.000863 -0.090832 0.191008 -0.094150 -0.078799 0.001695 5C 2dx2y2 -0.140081 0.668434 0.442342 -0.402819 -0.115318 -0.239611 5C 2dxy 0.234854 0.369243 0.314970 -0.193348 0.352507 -0.212203 5C 1f0 -0.003041 -0.013349 -0.031649 0.023531 -0.014759 0.015769 5C 1f+1 -0.004679 -0.005625 -0.023078 0.016727 0.002819 0.013684 5C 1f-1 0.008564 -0.003929 -0.002858 -0.000236 -0.000877 0.004596 5C 1f+2 -0.007564 -0.008554 -0.011368 -0.005075 0.007885 0.004434 5C 1f-2 -0.007409 0.004582 0.018055 -0.019919 0.013267 -0.020022 5C 1f+3 0.006203 -0.002068 -0.012797 0.009835 0.000785 0.022034 5C 1f-3 -0.002763 0.005448 0.030958 -0.029557 0.012626 -0.031272 6C 1s -0.014632 -0.017048 0.020421 0.003027 0.004859 0.005502 6C 2s -0.040357 -0.048809 0.061618 0.011386 0.015047 0.018941 6C 3s 0.174648 0.318021 -0.663472 -0.234369 -0.183861 -0.359679 6C 4s 0.094434 -1.265867 1.914254 0.911091 0.748460 1.325450 6C 5s 0.640655 0.142530 -0.373670 1.382038 0.002843 0.851000 6C 1pz 0.008806 -0.085729 -0.066559 0.001318 -0.017255 -0.187610 6C 1px -0.091916 -0.026179 -0.021390 -0.030564 0.042803 -0.050089 6C 1py 0.012268 0.081626 0.079026 0.156053 0.005122 -0.057661 6C 2pz -0.086280 -0.278196 -0.563623 -0.354004 -0.226646 -0.177398 6C 2px 0.094530 -0.060307 -0.142499 -0.048801 0.365297 0.108049 6C 2py -0.182698 0.518598 0.912100 0.374981 0.226644 0.482850 6C 3pz -0.896083 -0.476314 -2.792573 -0.722270 0.060962 -1.211158 6C 3px -0.183537 -0.509431 -1.483051 -0.540117 0.749054 -0.686300 6C 3py 2.104234 1.100615 4.487800 1.920399 -0.272716 0.819622 6C 1dz2 -0.014874 -0.001502 0.000294 -0.005431 -0.004122 -0.007846 6C 1dxz -0.005093 0.004664 -0.014391 -0.007435 0.001325 -0.009239 6C 1dyz 0.008020 -0.004667 0.009699 0.005969 0.001255 0.000637 6C 1dx2y2 -0.014286 -0.007871 0.013182 0.009137 0.004665 0.006396 6C 1dxy -0.004272 -0.008363 0.004220 0.003497 0.006867 0.005942 6C 2dz2 -0.453565 -0.241565 -0.029068 -0.139198 0.046201 -0.215842 6C 2dxz -0.140330 -0.485403 -0.478160 -0.269309 -0.035123 -0.313138 6C 2dyz -0.003203 -0.089248 0.201354 0.087487 -0.080793 -0.018692 6C 2dx2y2 0.169168 0.648234 0.475221 0.396102 -0.132851 0.215833 6C 2dxy -0.214153 0.375734 0.333920 0.172762 0.341278 0.245142 6C 1f0 -0.002313 0.013577 0.033273 0.021585 0.013849 0.016735 6C 1f+1 -0.004585 0.005735 0.024217 0.016239 -0.003960 0.012791 6C 1f-1 0.008772 0.003647 0.002888 -0.000576 0.000467 0.004649 6C 1f+2 -0.007177 0.008989 0.011180 -0.005180 -0.008797 0.003248 6C 1f-2 -0.007652 -0.004210 -0.019380 -0.018504 -0.012232 -0.021292 6C 1f+3 0.006109 0.001630 0.013545 0.009998 -0.002796 0.021416 6C 1f-3 -0.002830 -0.005199 -0.032925 -0.027990 -0.010349 -0.031943 7C 1s 0.013798 -0.018759 -0.018514 -0.000288 0.007856 0.011128 7C 2s 0.038127 -0.053807 -0.056374 -0.002641 0.024258 0.035816 7C 3s -0.162389 0.378384 0.650321 0.091380 -0.269196 -0.534329 7C 4s -0.199887 -1.445040 -1.824067 -0.507363 0.941210 1.781452 7C 5s -0.113604 0.065471 0.322722 -0.479500 -0.118780 1.726169 7C 1pz 0.001128 -0.094269 0.082245 -0.013565 0.000829 -0.162776 7C 1px 0.088184 0.001032 0.045116 -0.030400 -0.075091 -0.048542 7C 1py 0.061773 -0.063248 0.093002 0.170144 -0.009982 0.035206 7C 2pz 0.073375 -0.390140 0.959768 0.174373 -0.208580 -0.417975 7C 2px -0.076675 -0.090323 0.352610 0.199581 -0.153539 -0.392764 7C 2py -0.141439 -0.250445 0.679995 0.019493 -0.200760 -0.542233 7C 3pz 2.485575 -0.625133 4.411229 0.955107 -0.022820 -1.575018 7C 3px -0.157534 -0.462620 1.279722 0.147168 -0.206432 -0.477687 7C 3py 1.892417 -0.430316 3.214761 1.422902 -0.032326 -0.543249 7C 1dz2 0.011387 0.005874 0.012054 0.005483 -0.000065 -0.009518 7C 1dxz 0.001651 0.008020 0.002691 0.004725 -0.010618 -0.009072 7C 1dyz -0.006768 0.007323 0.008937 0.004555 -0.010306 -0.005236 7C 1dx2y2 0.009767 -0.006149 -0.013948 -0.003869 -0.000599 0.015426 7C 1dxy 0.000266 0.004481 0.001819 0.000501 0.008757 0.006543 7C 2dz2 0.321226 -0.295771 0.519564 0.089801 -0.116990 -0.359129 7C 2dxz -0.014453 -0.494244 0.286765 0.069456 0.085839 -0.223309 7C 2dyz -0.179096 -0.108023 0.356981 0.113787 -0.161137 -0.150767 7C 2dx2y2 -0.193910 0.571262 -0.629941 -0.179908 -0.052609 0.421515 7C 2dxy -0.270343 0.212357 -0.094960 -0.055646 0.301956 0.210483 7C 1f0 0.001588 -0.002212 -0.014578 -0.002463 0.000172 0.013617 7C 1f+1 -0.002712 0.007315 -0.039454 -0.018986 0.014165 0.040682 7C 1f-1 -0.006281 -0.011358 0.022228 -0.001092 -0.001710 -0.002622 7C 1f+2 0.012044 0.002052 0.017866 0.001019 -0.003036 -0.024690 7C 1f-2 -0.007624 -0.000456 0.007060 -0.000587 -0.003143 -0.004489 7C 1f+3 0.000259 -0.000893 0.002436 -0.009171 -0.001208 -0.001258 7C 1f-3 0.003988 0.004825 -0.039672 -0.011549 0.011816 0.047151 8C 1s 0.000332 0.004853 0.002931 -0.001815 -0.000317 -0.000095 8C 2s -0.000444 0.017554 0.016408 -0.000874 -0.000553 0.002913 8C 3s 0.025353 -0.290276 -0.346087 -0.099438 0.007460 -0.038157 8C 4s -0.009344 1.260304 1.688622 0.727958 -0.030338 0.198886 8C 5s 1.635956 0.557091 3.511085 0.549226 -0.353658 1.010787 8C 1pz 0.026502 -0.068834 -0.066214 -0.033138 -0.002267 0.020627 8C 1px -0.017215 0.058871 0.002244 -0.028516 0.037912 0.021983 8C 1py -0.012263 -0.042885 0.065931 0.035583 0.012624 0.009696 8C 2pz -0.074162 -0.405462 -0.281813 -0.186286 0.006376 -0.218994 8C 2px 0.195047 -0.153700 -0.238625 -0.043529 -0.106983 -0.096201 8C 2py -0.047078 0.546824 0.571478 0.327104 -0.010829 0.145246 8C 3pz -0.294378 -0.598054 -0.579992 -0.338117 0.079759 -0.005234 8C 3px -0.283625 0.172014 -0.450382 -0.156911 -0.056874 0.046555 8C 3py 0.059069 0.253628 1.246489 0.237133 -0.137537 0.377676 8C 1dz2 0.014990 -0.000510 0.001949 0.004198 -0.001552 0.002704 8C 1dxz 0.010273 0.003832 -0.005347 -0.002383 -0.000768 -0.003229 8C 1dyz -0.004784 0.005867 0.012301 0.007787 0.002608 0.003487 8C 1dx2y2 0.004219 -0.006413 0.011623 0.008881 0.006281 0.004278 8C 1dxy -0.002454 -0.004810 0.005943 0.007362 -0.001874 0.003486 8C 2dz2 -0.029233 0.116957 -0.027940 -0.023842 0.031825 -0.075440 8C 2dxz 0.175016 0.230922 0.067726 0.135094 -0.163002 -0.049669 8C 2dyz 0.442497 -0.026523 -0.228353 -0.085173 -0.126379 0.036907 8C 2dx2y2 -0.025931 -0.338616 -0.189747 -0.099651 -0.054413 -0.225204 8C 2dxy -0.172151 -0.162302 -0.082351 -0.136700 0.072184 -0.089737 8C 1f0 0.010868 0.024570 -0.006201 -0.002897 -0.003435 0.003861 8C 1f+1 0.015431 0.016012 -0.001082 0.006593 -0.007840 -0.002788 8C 1f-1 -0.009023 -0.003449 -0.001860 -0.001200 0.000807 0.003377 8C 1f+2 0.004663 0.015072 0.008471 0.000400 -0.001528 -0.009105 8C 1f-2 -0.003301 -0.000485 0.003491 -0.005752 -0.000390 -0.011072 8C 1f+3 -0.000682 -0.000321 0.000277 0.004071 0.009782 0.012874 8C 1f-3 -0.022895 -0.011328 -0.000432 -0.004665 0.012015 -0.006975 9C 1s 0.000487 0.004786 -0.004585 0.003072 0.001132 0.001027 9C 2s 0.002085 0.016872 -0.022108 0.006623 0.005010 0.008161 9C 3s -0.003048 -0.267974 0.419543 -0.017135 -0.069123 -0.165928 9C 4s -0.199269 1.129801 -1.975497 -0.168069 0.274635 0.823508 9C 5s -2.377304 0.255129 -3.334154 -1.137333 -0.283894 -0.119425 9C 1pz -0.036195 0.015052 0.061615 0.031405 -0.006623 -0.035784 9C 1px -0.004033 0.091480 0.004299 -0.012433 -0.068889 0.010248 9C 1py 0.059460 -0.005622 0.063131 0.000571 -0.008587 -0.041961 9C 2pz 0.102006 -0.523586 0.696932 0.105878 -0.056109 -0.303541 9C 2px -0.208051 0.023566 0.089550 0.059099 0.068696 -0.089240 9C 2py -0.048134 -0.365391 0.409732 0.171654 -0.096763 -0.157766 9C 3pz 0.437942 -0.311298 1.260027 0.418962 0.075891 -0.166653 9C 3px 0.344135 0.456640 0.232645 0.092616 -0.153880 0.067446 9C 3py 0.219773 -0.278866 0.744344 -0.025533 -0.087842 -0.348867 9C 1dz2 -0.011423 0.003156 0.008590 0.002838 0.000552 -0.010954 9C 1dxz -0.008840 0.009209 0.005473 0.000420 -0.007171 -0.004792 9C 1dyz 0.009598 -0.002316 0.014868 0.006368 -0.006228 -0.010862 9C 1dx2y2 -0.001671 -0.005765 -0.003795 -0.004193 0.000991 0.005988 9C 1dxy -0.000939 0.000322 0.004652 0.001241 -0.003560 0.000668 9C 2dz2 0.208826 0.158305 -0.183466 -0.131639 -0.020918 0.064484 9C 2dxz -0.297103 0.270551 -0.174040 -0.069716 0.152006 0.046790 9C 2dyz 0.226845 0.078528 -0.231181 -0.031939 0.049026 0.202588 9C 2dx2y2 0.227199 -0.322186 0.191742 -0.059546 0.002695 -0.099825 9C 2dxy -0.160871 -0.066376 -0.080953 0.036107 0.041443 0.054021 9C 1f0 -0.016884 0.004538 -0.005986 -0.003188 -0.000939 0.001910 9C 1f+1 -0.003904 0.011972 -0.000326 -0.006286 0.000167 -0.000038 9C 1f-1 0.009836 -0.023690 0.005188 -0.006450 0.006224 0.010619 9C 1f+2 0.010288 -0.007553 -0.000339 0.004967 -0.002130 -0.005928 9C 1f-2 0.014155 -0.012431 0.011000 0.000616 -0.008397 0.002173 9C 1f+3 -0.002750 -0.008683 -0.006465 0.004455 -0.003886 0.003578 9C 1f-3 -0.018118 0.018499 -0.007859 0.003982 0.002484 0.006483 10H 1s -0.026950 -0.063446 0.020474 -0.004158 0.012685 0.000414 10H 2s 0.532456 0.418483 -0.166984 0.036998 0.103194 -0.067036 10H 3s -0.380704 0.288272 -0.072728 -0.027485 -0.059788 -0.270844 10H 1pz 0.051365 0.040400 -0.014185 0.010354 0.012669 0.018245 10H 1px -0.009688 0.009021 -0.011237 -0.001527 -0.012701 0.002839 10H 1py 0.028008 0.006055 -0.002730 -0.014338 0.004423 0.000378 11H 1s 0.039790 0.029734 -0.003125 0.003044 -0.001768 0.008552 11H 2s -0.254730 -0.337172 0.039645 -0.064817 -0.066798 -0.107796 11H 3s 0.040732 -0.016249 -0.243294 0.058588 0.101947 -0.091256 11H 1pz -0.030293 -0.042752 0.041140 -0.010676 -0.014812 -0.002963 11H 1px 0.012813 0.011595 -0.002943 0.022870 -0.015203 0.008641 11H 1py -0.009143 0.004038 0.010435 0.011972 0.007734 0.015286 12H 1s 0.013583 -0.002638 0.002302 -0.009534 -0.008980 -0.003228 12H 2s -0.388586 -0.096089 0.098800 0.165571 0.055733 -0.007518 12H 3s -0.008299 0.085993 -0.160756 -0.140017 0.203763 -0.233966 12H 1pz -0.014171 0.004542 0.008464 -0.009185 -0.004851 0.000535 12H 1px 0.009786 0.040369 -0.000027 -0.009517 -0.006304 -0.014070 12H 1py -0.067187 -0.021057 0.037998 0.027506 -0.002401 0.017912 13H 1s 0.013643 -0.060855 -0.012272 0.003147 0.004050 0.015049 13H 2s -0.455681 0.372446 -0.053615 -0.188734 -0.198181 -0.155599 13H 3s 0.298397 0.266000 0.061810 -0.114553 0.024884 0.021550 13H 1pz -0.028576 -0.002473 -0.012454 -0.011832 -0.004954 -0.004219 13H 1px 0.014077 0.003271 0.021787 0.002713 0.016951 0.018491 13H 1py 0.052874 -0.046272 0.002411 0.005103 0.012111 0.027495 14H 1s -0.014657 -0.014840 -0.001102 -0.007342 -0.001873 0.019273 14H 2s 0.163224 -0.016630 0.004904 0.015565 0.201409 -0.197763 14H 3s -0.022781 0.090007 0.026677 -0.173934 -0.035519 0.144903 14H 1pz 0.029932 -0.041769 -0.018946 0.026777 0.015631 -0.034637 14H 1px -0.004999 0.023843 -0.007071 -0.000190 0.022751 -0.016445 14H 1py 0.008172 -0.021548 0.005783 -0.003441 0.002088 -0.005968 15H 1s -0.023275 0.041057 -0.000897 0.000552 -0.004974 0.004741 15H 2s 0.387663 -0.383717 0.036920 -0.016933 0.048869 0.177070 15H 3s 0.106136 -0.038136 0.195654 -0.083611 -0.036344 -0.028662 15H 1pz 0.002980 -0.014444 -0.017977 0.011099 0.006587 -0.004573 15H 1px 0.009340 0.006133 -0.004952 0.012191 -0.007136 -0.026203 15H 1py -0.055974 0.042871 0.024452 -0.013670 -0.013709 -0.010458 16H 1s 0.007799 -0.025570 0.035753 -0.014697 0.007813 0.016238 16H 2s 0.156831 -0.012637 0.031628 -0.492245 -0.734326 0.147605 16H 3s -0.002118 0.013452 0.092700 -0.117093 -0.092095 0.022351 16H 1pz 0.007874 -0.001751 -0.045770 -0.072463 -0.096249 -0.049577 16H 1px 0.052458 -0.031713 0.121582 -0.101125 -0.138170 0.198866 16H 1py -0.024843 0.042397 0.055043 0.165305 0.160381 0.118264 17H 1s -0.008261 -0.034006 -0.024420 -0.015882 0.003100 -0.002705 17H 2s 0.084761 -0.006484 -0.044766 -0.532265 -0.763300 -0.070840 17H 3s 0.012545 0.016657 -0.085327 -0.106496 -0.076202 0.018395 17H 1pz -0.026801 0.041038 0.044768 0.154117 0.195300 0.036351 17H 1px -0.007507 -0.058093 -0.106681 -0.069321 -0.095394 -0.160350 17H 1py -0.030312 0.019960 -0.040511 0.099798 0.082510 -0.147894 18H 1s 0.006109 -0.034390 -0.022013 0.017356 0.003803 0.001738 18H 2s -0.091483 -0.000459 -0.017323 0.558206 -0.751027 0.018296 18H 3s -0.012136 0.015981 -0.074261 0.111554 -0.070303 -0.023195 18H 1pz -0.028913 -0.038941 -0.038816 0.160185 -0.189258 0.025378 18H 1px -0.002868 0.058019 0.100013 -0.083018 0.104701 -0.147075 18H 1py -0.031665 -0.019445 0.043366 0.099737 -0.071370 -0.149981 19H 1s -0.009052 -0.025085 0.037490 0.011168 0.010017 -0.016678 19H 2s -0.164867 -0.004141 0.055019 0.514844 -0.708106 -0.192996 19H 3s 0.001438 0.015561 0.101430 0.113334 -0.084351 -0.033094 19H 1pz 0.009239 0.001998 0.043866 -0.085189 0.102882 -0.044312 19H 1px 0.054904 0.029928 -0.124700 -0.094647 0.121114 0.205781 19H 1py -0.026683 -0.039753 -0.046413 0.173744 -0.160447 0.104163 20H 1s 0.025039 0.038515 -0.000705 0.000044 -0.004391 -0.004913 20H 2s -0.406778 -0.360900 0.036504 0.009322 0.068706 -0.169617 20H 3s -0.105661 -0.029380 0.200955 0.074632 -0.041017 0.022108 20H 1pz 0.003354 0.013445 0.018773 0.010334 -0.005467 -0.005431 20H 1px 0.008858 -0.006983 0.005224 0.011423 0.009664 -0.025862 20H 1py -0.058031 -0.039908 -0.025895 -0.013567 0.014399 -0.008867 21H 1s 0.014303 -0.014798 -0.000550 0.007053 0.000267 -0.019016 21H 2s -0.162841 -0.016201 0.006741 -0.017770 0.181119 0.216448 21H 3s 0.026616 0.090066 0.037995 0.177527 -0.019841 -0.150352 21H 1pz 0.031621 0.039854 0.020675 0.026128 -0.011880 -0.036463 21H 1px -0.006713 -0.023445 0.006662 -0.000691 -0.020686 -0.018497 21H 1py 0.008852 0.020481 -0.006435 -0.003123 -0.002033 -0.006240 22H 1s -0.016868 -0.060277 -0.012587 -0.003067 0.005929 -0.014637 22H 2s 0.474021 0.355874 -0.041092 0.198275 -0.210748 0.134047 22H 3s -0.284894 0.283377 0.067654 0.109940 0.030475 -0.011937 22H 1pz -0.028351 0.002655 0.011671 -0.012257 0.005344 -0.003042 22H 1px 0.013633 -0.004010 -0.021842 0.004221 -0.018339 0.016683 22H 1py 0.055107 0.043533 -0.001764 0.005899 -0.014840 0.026157 23H 1s -0.014598 -0.000701 0.002449 0.009437 -0.008888 0.002025 23H 2s 0.386505 -0.128524 0.091123 -0.176268 0.048805 0.008877 23H 3s 0.017118 0.082062 -0.154934 0.138197 0.184810 0.248810 23H 1pz -0.015009 -0.002574 -0.010075 -0.009614 0.004126 0.001175 23H 1px 0.008276 -0.040017 -0.000254 -0.009856 0.006786 -0.014045 23H 1py -0.065636 0.024877 -0.036783 0.029005 0.001816 0.018132 24H 1s -0.037627 0.030525 -0.003007 -0.003479 -0.000639 -0.008932 24H 2s 0.237588 -0.339768 0.037943 0.062958 -0.078936 0.101793 24H 3s -0.039341 -0.011229 -0.245695 -0.049753 0.087190 0.097275 24H 1pz -0.028566 0.042943 -0.041121 -0.009878 0.014499 -0.001844 24H 1px 0.012558 -0.012968 0.004683 0.022021 0.016121 0.010268 24H 1py -0.008285 -0.004888 -0.009136 0.012921 -0.008404 0.014929 25H 1s 0.023845 -0.065049 0.020633 0.002507 0.012649 0.000602 25H 2s -0.509412 0.446695 -0.166254 -0.023934 0.095192 0.076865 25H 3s 0.395029 0.272140 -0.068841 0.026972 -0.084165 0.255875 25H 1pz 0.049008 -0.041840 0.014380 0.009485 -0.013500 0.016810 25H 1px -0.010009 -0.008379 0.011488 -0.001010 0.012455 0.004518 25H 1py 0.028150 -0.008829 0.002634 -0.014603 -0.004576 -0.000965 26O 1s -0.005651 0.002680 0.000166 0.000091 0.005368 -0.002311 26O 2s -0.012900 0.004181 0.000922 0.000688 0.012504 -0.003567 26O 3s 0.009222 0.047785 -0.025921 0.000367 0.005951 -0.061868 26O 4s 0.117189 -0.469276 -0.053560 -0.003504 -0.260816 0.453498 26O 5s -1.230736 0.225385 3.379018 -0.864004 -0.392352 0.868278 26O 1pz 0.047119 0.041710 0.023549 -0.013848 -0.031229 -0.012654 26O 1px 0.052636 0.031190 -0.025546 0.002783 0.024485 -0.013227 26O 1py 0.044263 0.037432 -0.003036 0.021100 -0.035564 0.009882 26O 2pz 0.176379 0.111682 -0.107301 0.038774 -0.025985 -0.133519 26O 2px 0.183479 0.153835 -0.319975 0.070539 0.137198 -0.274771 26O 2py 0.166407 0.128256 -0.183187 0.135955 0.032519 -0.118033 26O 3pz -0.628719 0.220674 0.727845 0.189723 0.239948 -0.162872 26O 3px 0.229949 -0.319724 -0.932653 0.595294 0.632385 -0.829907 26O 3py -0.333750 -0.077560 -0.128780 -0.146130 -0.012027 -0.818575 26O 1dz2 -0.006797 -0.000390 -0.000563 -0.002073 -0.000977 0.004980 26O 1dxz -0.003140 0.005760 -0.004446 0.003187 0.002105 -0.003401 26O 1dyz -0.005892 0.002074 -0.007208 -0.000079 0.001465 0.002187 26O 1dx2y2 0.005400 -0.001150 0.000747 -0.000029 0.004300 -0.002511 26O 1dxy -0.000347 0.002124 -0.008136 0.003240 -0.001026 -0.003933 26O 2dz2 -0.000182 -0.022579 -0.100789 0.013630 0.018897 -0.165283 26O 2dxz 0.015507 0.004352 0.031921 -0.057875 -0.034981 0.000063 26O 2dyz 0.004228 -0.003735 -0.036783 0.086883 0.051000 -0.056068 26O 2dx2y2 0.027664 0.010459 0.055435 -0.044602 -0.031123 0.049276 26O 2dxy 0.010685 0.007871 0.048505 -0.013477 -0.058062 0.061352 26O 1f0 0.001737 -0.002573 0.001810 0.001718 0.001649 0.001392 26O 1f+1 0.005820 0.001820 0.004552 -0.001720 -0.002701 0.003781 26O 1f-1 0.003480 -0.000479 0.004375 0.001465 -0.000911 -0.003362 26O 1f+2 -0.003565 0.003251 -0.001730 -0.002250 -0.002002 -0.000303 26O 1f-2 0.001349 0.001329 -0.001347 0.000835 -0.000359 -0.003219 26O 1f+3 0.002490 0.003672 0.002997 0.003078 -0.002241 0.004304 26O 1f-3 0.003164 0.002200 0.007579 -0.002880 -0.001693 0.006135 27O 1s 0.003498 0.000284 -0.007316 -0.002681 -0.006487 -0.004918 27O 2s 0.008515 -0.001134 -0.016473 -0.006711 -0.014562 -0.012541 27O 3s -0.019534 0.044689 -0.000969 -0.002735 -0.014731 0.010429 27O 4s 0.039083 -0.325574 0.576454 0.174833 0.481319 0.179367 27O 5s 0.661948 -0.373123 -3.797106 0.745603 -0.773693 0.694543 27O 1pz -0.032297 0.031481 0.008546 -0.001541 0.010099 -0.008545 27O 1px -0.057491 0.050390 0.009359 0.022002 -0.021109 0.021071 27O 1py 0.029152 -0.056469 -0.003470 0.005254 -0.026247 -0.044520 27O 2pz -0.100695 0.070813 0.052797 -0.019203 0.038759 -0.081564 27O 2px -0.190726 0.221158 0.243105 -0.121420 -0.076733 -0.110071 27O 2py 0.107840 -0.168707 -0.147525 0.121077 -0.020593 -0.006773 27O 3pz 0.321253 0.017187 -0.599058 -0.139976 -0.429696 0.309051 27O 3px -0.122978 -0.403139 0.366799 -0.852236 -0.322041 -0.623864 27O 3py -0.279380 0.117408 1.109583 -0.005547 0.297929 0.558558 27O 1dz2 0.001631 -0.000945 -0.003305 0.000942 0.000632 0.002062 27O 1dxz 0.001851 0.003828 0.006242 -0.000667 -0.000000 -0.002498 27O 1dyz -0.005101 -0.000371 -0.007112 -0.001279 -0.002028 0.000308 27O 1dx2y2 -0.006842 -0.000471 -0.002387 -0.002234 -0.004102 -0.000365 27O 1dxy -0.005518 -0.005676 -0.006351 0.000458 -0.003672 0.002914 27O 2dz2 0.005097 -0.014103 0.009642 0.043377 0.023168 -0.063000 27O 2dxz -0.021931 0.002311 0.011525 -0.029758 0.013954 -0.045829 27O 2dyz 0.014491 0.014547 -0.019324 0.035953 0.014657 0.118056 27O 2dx2y2 -0.029400 0.026014 -0.059116 0.067116 0.033759 -0.006762 27O 2dxy -0.015080 -0.002938 0.014806 0.058391 -0.014709 -0.000004 27O 1f0 0.001064 -0.002040 0.002733 0.000320 0.000543 0.003487 27O 1f+1 -0.004562 0.002047 -0.005514 0.000921 0.000240 0.001671 27O 1f-1 0.001782 0.000338 0.001895 -0.000327 0.000795 0.000805 27O 1f+2 0.001977 0.004378 0.001956 0.003389 0.002373 -0.001322 27O 1f-2 0.003691 0.001205 0.001798 0.003351 0.001267 0.001937 27O 1f+3 -0.004277 0.003340 -0.006060 -0.003205 -0.001975 0.004118 27O 1f-3 0.002198 0.002517 0.005470 -0.001605 0.001023 0.000078 28O 1s -0.001329 0.004269 0.006887 0.000536 -0.004125 -0.007950 28O 2s 0.000339 0.007589 0.015963 0.002032 -0.009426 -0.019868 28O 3s -0.069911 0.055617 -0.013281 -0.011727 -0.003350 0.012094 28O 4s 0.567695 -0.624660 -0.467267 0.028271 0.340251 0.351152 28O 5s -2.548093 0.543425 3.934996 -0.560242 -1.138464 0.406602 28O 1pz 0.001876 0.071225 -0.027963 -0.015230 -0.018394 0.030872 28O 1px -0.006750 -0.023102 0.000267 0.015604 0.023772 -0.025491 28O 1py -0.015524 0.041595 -0.006341 0.022302 0.016840 0.034224 28O 2pz 0.143559 0.227679 -0.310298 0.025344 0.037319 -0.134159 28O 2px -0.013819 -0.152155 0.193641 -0.021294 0.032087 0.058765 28O 2py 0.047589 0.078142 -0.115241 0.102664 0.019421 0.009100 28O 3pz -0.436144 -0.255276 0.706123 0.417001 -0.397856 -0.619132 28O 3px -0.358412 0.425652 0.766450 -0.306579 -0.407127 0.668492 28O 3py -0.429470 0.123772 0.905559 -0.428037 0.075111 -0.484243 28O 1dz2 0.008903 0.002282 -0.009298 -0.000026 0.001845 -0.002352 28O 1dxz -0.000767 -0.002046 0.001847 -0.000390 0.001180 0.002707 28O 1dyz 0.010130 0.001494 -0.009031 -0.000092 0.006865 -0.000652 28O 1dx2y2 -0.004420 -0.001229 0.003377 0.000411 -0.001385 0.000678 28O 1dxy 0.001549 -0.003225 -0.000590 0.000226 -0.003477 0.001385 28O 2dz2 0.061232 0.014425 -0.004006 -0.010465 0.036382 -0.090119 28O 2dxz 0.012390 -0.010807 -0.057825 -0.042306 0.049459 -0.060265 28O 2dyz 0.059074 -0.014740 -0.019824 0.073089 -0.006072 -0.071118 28O 2dx2y2 -0.012030 0.010939 0.055172 -0.055170 0.011643 -0.006918 28O 2dxy 0.035759 -0.018002 -0.018816 -0.025627 -0.017431 -0.041358 28O 1f0 0.002082 0.002207 0.002928 -0.000654 -0.000128 -0.000777 28O 1f+1 -0.002274 -0.000365 0.005926 0.002982 -0.003607 0.003128 28O 1f-1 -0.000321 -0.001023 0.002629 0.003796 -0.001965 -0.002966 28O 1f+2 0.001361 -0.003434 -0.008327 -0.001872 0.003822 -0.001692 28O 1f-2 -0.003029 -0.000537 0.004015 -0.003285 -0.000812 -0.002343 28O 1f+3 -0.000387 -0.003034 -0.001717 -0.000399 0.001650 -0.001773 28O 1f-3 -0.001833 -0.001105 0.001912 -0.000477 -0.000529 -0.000846 29O 1s -0.000110 0.001565 0.000015 0.003208 0.003034 -0.000345 29O 2s 0.000129 0.004695 0.000271 0.006575 0.004702 -0.000523 29O 3s -0.007530 -0.021339 -0.005544 0.017704 0.044044 -0.006881 29O 4s 0.057544 0.107716 0.021330 -0.306821 -0.521237 0.051588 29O 5s -0.198986 -0.530970 -0.010926 0.987052 1.863660 -0.115859 29O 1pz 0.005307 -0.023834 -0.008495 -0.011914 -0.002061 0.005707 29O 1px -0.001886 0.054024 -0.004834 0.027140 0.002180 -0.004193 29O 1py 0.019648 -0.005950 -0.000427 -0.027225 -0.012187 0.005143 29O 2pz -0.009731 -0.014354 -0.085572 -0.015909 -0.033090 -0.047700 29O 2px -0.013571 0.020575 -0.030265 0.041259 0.065299 -0.016744 29O 2py 0.001321 0.039043 -0.000217 0.043402 0.028353 -0.008551 29O 3pz 0.112277 -0.059665 0.372522 -0.115435 -0.073980 0.428182 29O 3px -0.021297 0.250493 0.127903 0.294541 0.157316 0.106846 29O 3py 0.101833 -0.092296 -0.031013 -0.775671 -1.012310 0.042840 29O 1dz2 0.000219 -0.001205 0.003166 0.002978 0.004706 0.003144 29O 1dxz -0.001569 -0.003287 -0.003622 0.000633 0.003181 -0.005793 29O 1dyz 0.001461 -0.001407 -0.000340 -0.003441 -0.003982 -0.002641 29O 1dx2y2 -0.000225 0.005318 -0.001415 0.002696 -0.000948 -0.002845 29O 1dxy -0.000657 0.002818 0.000161 0.006045 0.006812 -0.001367 29O 2dz2 -0.045587 0.050736 0.075257 0.199726 0.251848 0.085546 29O 2dxz -0.029570 -0.003222 -0.096944 0.068117 0.124370 -0.168270 29O 2dyz -0.010011 -0.026594 -0.041158 -0.100817 -0.120897 -0.122616 29O 2dx2y2 -0.031555 -0.004322 -0.034472 0.124082 0.062428 -0.096024 29O 2dxy -0.007874 0.025688 -0.004959 0.086083 0.134525 -0.048388 29O 1f0 -0.000747 0.003721 -0.001321 0.002993 -0.000385 -0.000141 29O 1f+1 0.000527 -0.002227 -0.000730 -0.001954 -0.000270 -0.000031 29O 1f-1 -0.000445 0.002345 -0.003271 0.000651 -0.001129 -0.000882 29O 1f+2 -0.000183 -0.002866 0.001778 -0.002707 0.000042 0.002176 29O 1f-2 0.001953 0.001623 0.003410 -0.000461 -0.001865 -0.000551 29O 1f+3 -0.000646 -0.003968 -0.001100 -0.002879 -0.000808 0.000133 29O 1f-3 0.000195 -0.001909 -0.001706 -0.001854 -0.001804 0.000625 30O 1s -0.001193 0.004863 -0.001493 -0.002622 0.007455 -0.001095 30O 2s -0.005538 0.008800 -0.003517 -0.006561 0.016685 -0.000810 30O 3s 0.059760 0.061780 0.014877 -0.007547 0.021573 -0.052783 30O 4s -0.379009 -0.661959 0.179070 0.170644 -0.480618 0.336909 30O 5s 1.778008 0.086181 -3.337633 1.054331 0.192879 0.701347 30O 1pz 0.004418 0.047385 -0.007296 0.013324 -0.003119 -0.033758 30O 1px 0.007005 -0.018995 -0.024164 0.012238 -0.042542 -0.005886 30O 1py -0.027632 -0.062210 0.007942 0.004454 0.047394 -0.005115 30O 2pz -0.062239 0.191662 0.182362 -0.103790 0.049701 -0.221387 30O 2px -0.018280 -0.159474 -0.183781 0.078475 -0.143649 0.108340 30O 2py 0.025950 -0.228111 -0.201891 0.195892 -0.006460 0.120076 30O 3pz 0.128576 -0.045384 -0.082582 -0.600799 0.705788 0.048885 30O 3px 0.339182 0.269870 -1.195297 0.548618 -0.295285 0.549792 30O 3py -0.161939 0.006268 0.071611 0.336857 -0.696063 0.655086 30O 1dz2 0.000083 0.001490 -0.002375 -0.001043 0.000924 -0.000808 30O 1dxz -0.000484 -0.001243 -0.000072 0.002391 -0.004260 0.004018 30O 1dyz 0.009350 -0.003462 -0.008604 0.002844 -0.000163 0.000330 30O 1dx2y2 0.007219 -0.003605 -0.004384 0.003750 0.002688 -0.000579 30O 1dxy 0.004692 0.002945 0.002134 -0.004714 0.001642 -0.003717 30O 2dz2 -0.008851 0.003466 -0.000058 0.063932 -0.008236 -0.082438 30O 2dxz 0.001024 0.010224 0.082803 -0.056334 0.054266 -0.088343 30O 2dyz 0.067990 0.006251 -0.002571 0.057122 0.015801 0.040688 30O 2dx2y2 0.017822 -0.012617 -0.022042 0.031889 -0.003813 -0.015644 30O 2dxy 0.037178 0.000090 -0.095346 0.117489 -0.098711 0.080302 30O 1f0 -0.001401 0.002002 -0.003060 0.005248 -0.003534 0.003033 30O 1f+1 -0.000143 -0.001315 -0.000792 -0.000630 0.000927 0.003243 30O 1f-1 0.001860 -0.000760 -0.001296 0.000260 -0.000377 0.004572 30O 1f+2 0.001519 -0.001759 0.003605 0.002522 0.002643 -0.000370 30O 1f-2 -0.002218 -0.000614 0.008521 -0.000404 0.001525 -0.003588 30O 1f+3 0.002820 -0.002313 -0.001164 -0.000009 0.002355 -0.002499 30O 1f-3 -0.000794 -0.001648 0.004979 -0.002465 0.002404 -0.001896 31O 1s 0.001549 0.004877 -0.001370 0.002411 0.007342 0.002034 31O 2s 0.006229 0.008626 -0.003197 0.006115 0.016549 0.002898 31O 3s -0.056526 0.065983 0.015409 0.005848 0.017925 0.055538 31O 4s 0.338767 -0.690992 0.169256 -0.160686 -0.455970 -0.404449 31O 5s -1.743793 0.231229 -3.424784 -0.914272 0.226598 -0.589826 31O 1pz 0.002052 -0.047251 0.007270 0.011899 0.006183 -0.033455 31O 1px 0.008193 0.018389 0.024643 0.009078 0.043552 -0.001249 31O 1py -0.025234 0.063144 -0.006980 0.006741 -0.045292 -0.009362 31O 2pz -0.071024 -0.186246 -0.191919 -0.094829 -0.032762 -0.224042 31O 2px -0.010331 0.160312 0.188338 0.065053 0.136668 0.122485 31O 2py 0.035713 0.222803 0.217776 0.188454 0.003546 0.118545 31O 3pz 0.124359 0.039864 0.042124 -0.583637 -0.732412 -0.023095 31O 3px 0.322783 -0.304525 1.242453 0.476440 0.265588 0.550457 31O 3py -0.152960 0.005258 -0.050202 0.292870 0.641575 0.737782 31O 1dz2 -0.000005 0.001496 -0.002271 0.001285 0.000869 0.000882 31O 1dxz 0.000398 -0.001250 -0.000318 -0.002323 -0.004080 -0.004459 31O 1dyz -0.009478 -0.002899 -0.008806 -0.002480 -0.000124 -0.000067 31O 1dx2y2 -0.007367 -0.003224 -0.004629 -0.003625 0.002682 0.001047 31O 1dxy -0.004530 0.003092 0.002522 0.004423 0.001597 0.003995 31O 2dz2 0.008702 0.003548 -0.003957 -0.064135 -0.017725 0.081239 31O 2dxz -0.000146 0.010782 0.086457 0.048243 0.048378 0.093640 31O 2dyz -0.067935 0.010806 -0.006915 -0.056433 0.019495 -0.038383 31O 2dx2y2 -0.018626 -0.010965 -0.025132 -0.031567 -0.006742 0.015262 31O 2dxy -0.037778 0.001474 -0.103262 -0.109620 -0.095588 -0.089278 31O 1f0 -0.001482 -0.001907 0.003407 0.004956 0.003483 0.003375 31O 1f+1 -0.000102 0.001300 0.000732 -0.000634 -0.001290 0.003139 31O 1f-1 0.001897 0.000641 0.001368 0.000147 -0.000048 0.004595 31O 1f+2 0.001596 0.001624 -0.003351 0.002774 -0.002502 -0.000511 31O 1f-2 -0.002152 0.000682 -0.008483 0.000068 -0.001168 -0.003566 31O 1f+3 0.002885 0.002212 0.001108 0.000098 -0.002180 -0.002796 31O 1f-3 -0.000708 0.001556 -0.005048 -0.002113 -0.002288 -0.002048 32O 1s 0.000232 0.001576 -0.000157 -0.003337 0.002902 0.000484 32O 2s 0.000169 0.004743 -0.000026 -0.006839 0.004465 0.000610 32O 3s 0.007169 -0.021814 -0.007884 -0.018063 0.042335 0.011640 32O 4s -0.059124 0.110314 0.043686 0.320626 -0.504463 -0.091371 32O 5s 0.193292 -0.539892 -0.068637 -1.045507 1.818752 0.244959 32O 1pz 0.006213 0.023314 0.007918 -0.011750 0.000416 0.005557 32O 1px -0.004627 -0.054120 0.005994 0.027099 -0.001090 -0.004601 32O 1py 0.019948 0.004794 -0.000899 -0.027732 0.010820 0.005405 32O 2pz -0.008210 0.015878 0.084329 -0.025369 0.036796 -0.045363 32O 2px -0.015236 -0.019738 0.030703 0.041289 -0.063229 -0.019579 32O 2py -0.001439 -0.038775 0.006648 0.042887 -0.024827 -0.013765 32O 3pz 0.111707 0.050198 -0.374015 -0.068156 0.016138 0.424493 32O 3px -0.035576 -0.248368 -0.106116 0.311573 -0.160811 0.087442 32O 3py 0.117488 0.085351 -0.021231 -0.805572 0.980263 0.126905 32O 1dz2 -0.000240 -0.001173 0.003045 -0.003493 0.004962 -0.002757 32O 1dxz 0.001385 -0.003375 -0.003579 -0.000257 0.002576 0.005912 32O 1dyz -0.001524 -0.001253 -0.000107 0.003462 -0.003846 0.002276 32O 1dx2y2 0.000448 0.005309 -0.001441 -0.002503 -0.001244 0.002587 32O 1dxy 0.000891 0.002785 -0.000248 -0.006278 0.006548 0.001997 32O 2dz2 0.050463 0.048414 0.066735 -0.220070 0.257054 -0.070987 32O 2dxz 0.029154 -0.004420 -0.097534 -0.059484 0.107569 0.170424 32O 2dyz 0.010822 -0.024196 -0.035229 0.095717 -0.112850 0.111809 32O 2dx2y2 0.030394 -0.005371 -0.038735 -0.122501 0.051564 0.093023 32O 2dxy 0.011077 0.026261 -0.010780 -0.092567 0.130934 0.064501 32O 1f0 -0.000916 -0.003490 0.001499 0.002791 0.000484 -0.000212 32O 1f+1 0.000654 0.002327 0.000571 -0.002045 0.000103 0.000078 32O 1f-1 -0.000562 -0.002420 0.003401 0.000341 0.001331 -0.000879 32O 1f+2 -0.000038 0.003007 -0.002023 -0.002518 -0.000364 0.002281 32O 1f-2 0.001855 -0.001701 -0.003356 -0.000319 0.001865 -0.000436 32O 1f+3 -0.000426 0.003928 0.000803 -0.002922 0.000675 0.000271 32O 1f-3 0.000297 0.001883 0.001643 -0.002010 0.001719 0.000680 33O 1s 0.001494 0.004288 0.006897 -0.001053 -0.004751 0.007448 33O 2s -0.000066 0.007808 0.015938 -0.003204 -0.010920 0.018720 33O 3s 0.072703 0.051900 -0.012577 0.011521 -0.004546 -0.012524 33O 4s -0.594622 -0.599494 -0.469928 0.005587 0.379825 -0.308894 33O 5s 2.541052 0.447032 3.968015 0.389309 -1.079095 -0.568665 33O 1pz -0.001861 -0.070433 0.027372 -0.017907 0.016687 0.033167 33O 1px -0.005777 0.023205 0.000422 0.015014 -0.020974 -0.027497 33O 1py -0.017581 -0.040304 0.008467 0.022015 -0.018399 0.032701 33O 2pz 0.129294 -0.230646 0.311907 0.013304 -0.018833 -0.138417 33O 2px -0.005616 0.151949 -0.194882 -0.015828 -0.041429 0.057254 33O 2py 0.043004 -0.078094 0.122860 0.096913 -0.015235 0.006951 33O 3pz -0.419428 0.275629 -0.677937 0.464744 0.473375 -0.576010 33O 3px -0.368256 -0.419890 -0.786050 -0.297679 0.326292 0.722083 33O 3py -0.435007 -0.105746 -0.936701 -0.360698 -0.042140 -0.488843 33O 1dz2 -0.008689 0.002665 -0.009239 0.000529 0.001662 0.002554 33O 1dxz 0.000647 -0.001999 0.001949 0.000404 0.001549 -0.002590 33O 1dyz -0.009950 0.001950 -0.008965 0.000338 0.006892 0.001470 33O 1dx2y2 0.004341 -0.001491 0.003337 -0.000659 -0.001415 -0.000805 33O 1dxy -0.001753 -0.003066 -0.000604 0.000027 -0.003288 -0.001755 33O 2dz2 -0.060095 0.017366 -0.003496 0.009821 0.029402 0.093786 33O 2dxz -0.011612 -0.010645 -0.055281 0.039800 0.042346 0.066154 33O 2dyz -0.059962 -0.012150 -0.024137 -0.071995 -0.014827 0.071303 33O 2dx2y2 0.012414 0.010530 0.058490 0.053061 0.014339 0.008353 33O 2dxy -0.036279 -0.015919 -0.017253 0.026207 -0.020651 0.039296 33O 1f0 0.001967 -0.002323 -0.002927 -0.000532 0.000139 -0.000700 33O 1f+1 -0.002177 0.000440 -0.005633 0.003142 0.003328 0.003542 33O 1f-1 -0.000250 0.001094 -0.002340 0.003916 0.002439 -0.002769 33O 1f+2 0.001456 0.003282 0.008175 -0.002095 -0.003624 -0.002177 33O 1f-2 -0.002948 0.000673 -0.004230 -0.003090 0.000911 -0.002235 33O 1f+3 -0.000255 0.003028 0.001690 -0.000327 -0.001422 -0.002002 33O 1f-3 -0.001750 0.001246 -0.001970 -0.000367 0.000591 -0.000781 34O 1s -0.003497 0.000577 -0.007075 0.003368 -0.006668 0.004203 34O 2s -0.008593 -0.000461 -0.015841 0.008190 -0.014926 0.010904 34O 3s 0.021394 0.044031 -0.001591 0.005172 -0.016998 -0.011630 34O 4s -0.052572 -0.331796 0.566087 -0.233985 0.501311 -0.133880 34O 5s -0.663911 -0.285235 -3.864733 -0.542719 -0.729380 -0.696903 34O 1pz -0.033973 -0.029506 -0.008502 0.000072 -0.008118 -0.010473 34O 1px -0.059443 -0.046540 -0.007747 0.021107 0.021720 0.022844 34O 1py 0.032184 0.053855 0.003758 0.004453 0.028810 -0.040770 34O 2pz -0.103909 -0.063893 -0.055442 -0.014993 -0.029944 -0.084616 34O 2px -0.198758 -0.206856 -0.251582 -0.118959 0.091054 -0.095412 34O 2py 0.115855 0.158316 0.156986 0.114485 0.021437 -0.006417 34O 3pz 0.321488 -0.044318 0.593680 -0.174531 0.388290 0.331286 34O 3px -0.092297 0.417788 -0.435378 -0.857497 0.348576 -0.566247 34O 3py -0.289255 -0.090415 -1.106583 0.079290 -0.344725 0.537149 34O 1dz2 -0.001651 -0.000831 -0.003429 -0.000826 0.000801 -0.001879 34O 1dxz -0.001673 0.003906 0.006338 0.000209 -0.000166 0.002464 34O 1dyz 0.005073 -0.000593 -0.007023 0.001739 -0.002076 -0.000407 34O 1dx2y2 0.006748 -0.000873 -0.002229 0.002503 -0.004190 -0.000079 34O 1dxy 0.005220 -0.005798 -0.006500 -0.000227 -0.003464 -0.003064 34O 2dz2 -0.006158 -0.013869 0.007306 -0.040754 0.014161 0.063523 34O 2dxz 0.021931 0.000965 0.013845 0.028307 0.010719 0.046395 34O 2dyz -0.013046 0.015799 -0.023089 -0.036594 0.023933 -0.114103 34O 2dx2y2 0.031646 0.025581 -0.063079 -0.067399 0.032653 0.011943 34O 2dxy 0.014642 -0.002985 0.010142 -0.057673 -0.018750 -0.001900 34O 1f0 0.001154 0.001948 -0.002672 0.000490 -0.000870 0.003481 34O 1f+1 -0.004695 -0.001841 0.005537 0.000772 -0.000446 0.001555 34O 1f-1 0.001744 -0.000390 -0.001900 -0.000240 -0.000848 0.000729 34O 1f+2 0.001731 -0.004451 -0.001721 0.003552 -0.002146 -0.001578 34O 1f-2 0.003605 -0.001463 -0.001513 0.003490 -0.001367 0.001766 34O 1f+3 -0.004478 -0.003072 0.005764 -0.003384 0.001396 0.004121 34O 1f-3 0.002082 -0.002630 -0.005574 -0.001406 -0.001009 0.000013 35O 1s 0.005802 0.002408 0.000143 0.000003 0.004995 0.002679 35O 2s 0.013155 0.003524 0.000790 -0.000530 0.011700 0.004493 35O 3s -0.006817 0.048916 -0.024721 0.001651 0.002170 0.060882 35O 4s -0.140711 -0.467155 -0.059212 -0.005475 -0.221150 -0.460647 35O 5s 1.210363 0.186790 3.430731 0.738025 -0.289443 -0.954892 35O 1pz 0.045281 -0.043836 -0.024644 -0.011992 0.030759 -0.009905 35O 1px 0.050462 -0.033856 0.025259 0.001771 -0.024029 -0.015226 35O 1py 0.042238 -0.039357 0.003982 0.020591 0.033768 0.013588 35O 2pz 0.170481 -0.118668 0.108836 0.034670 0.037695 -0.131242 35O 2px 0.172434 -0.162313 0.320929 0.055220 -0.112573 -0.286196 35O 2py 0.157866 -0.134976 0.190772 0.127977 -0.019508 -0.121929 35O 3pz -0.638717 -0.194580 -0.714334 0.217555 -0.213838 -0.163337 35O 3px 0.235662 0.313696 0.968635 0.554666 -0.537902 -0.887754 35O 3py -0.326040 0.095104 0.111267 -0.178802 0.083972 -0.794116 35O 1dz2 0.006739 -0.000750 -0.000463 0.002019 -0.000573 -0.004982 35O 1dxz 0.003466 0.005540 -0.004687 -0.003146 0.001667 0.003626 35O 1dyz 0.006048 0.001746 -0.007278 0.000271 0.001571 -0.001933 35O 1dx2y2 -0.005424 -0.000854 0.000770 -0.000114 0.004201 0.002933 35O 1dxy 0.000477 0.002011 -0.008286 -0.002699 -0.001450 0.003795 35O 2dz2 -0.000809 -0.021924 -0.100141 -0.006306 0.004547 0.163824 35O 2dxz -0.015433 0.004753 0.034659 0.055840 -0.033095 -0.003168 35O 2dyz -0.004200 -0.003872 -0.042608 -0.085246 0.041460 0.062514 35O 2dx2y2 -0.027928 0.012108 0.057609 0.041987 -0.026043 -0.051496 35O 2dxy -0.010927 0.006990 0.048807 0.012309 -0.054483 -0.066205 35O 1f0 0.001860 0.002433 -0.001650 0.001821 -0.001723 0.001247 35O 1f+1 0.005756 -0.002059 -0.004577 -0.001539 0.002325 0.004012 35O 1f-1 0.003548 0.000347 -0.004285 0.001558 0.001279 -0.003229 35O 1f+2 -0.003689 -0.003118 0.001588 -0.002329 0.001961 -0.000088 35O 1f-2 0.001290 -0.001357 0.001397 0.000755 0.000662 -0.003157 35O 1f+3 0.002290 -0.003792 -0.002724 0.003261 0.001968 0.004462 35O 1f-3 0.003080 -0.002250 -0.007714 -0.002483 0.001119 0.006256 300 301 302 303 304 305 1.35254 1.38711 1.38891 1.41224 1.42477 1.42926 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s 0.000258 -0.000217 -0.000375 0.000618 0.000921 -0.000108 0Rh 2s -0.001552 0.000568 0.001115 -0.001168 -0.005157 0.000319 0Rh 3s 0.000559 -0.000922 -0.001515 0.002902 0.002228 -0.000438 0Rh 4s 0.007458 -0.002588 -0.005133 0.005141 0.024813 -0.001448 0Rh 5s -0.011263 -0.000228 0.001314 0.005980 -0.035328 0.000058 0Rh 6s 0.002447 0.017850 0.027125 -0.059136 -0.005911 0.009083 0Rh 7s 0.006674 -0.168372 -0.084352 0.647411 0.271497 -0.022430 0Rh 8s -0.008659 -0.098820 0.020272 0.873447 -0.111045 0.011634 0Rh 1pz -0.005966 0.010370 0.029076 0.010217 -0.007905 0.004383 0Rh 1px -0.003312 0.014861 0.002520 -0.029799 -0.007809 0.000231 0Rh 1py -0.001134 -0.026698 0.013065 -0.010974 0.013489 0.002365 0Rh 2pz 0.020228 -0.034613 -0.097295 -0.034273 0.026021 -0.015038 0Rh 2px 0.011101 -0.049857 -0.008346 0.100591 0.025956 -0.000857 0Rh 2py 0.003782 0.089340 -0.043688 0.036954 -0.044890 -0.007926 0Rh 3pz -0.003615 -0.004398 -0.006926 -0.000282 0.010641 0.007335 0Rh 3px 0.000266 -0.000236 -0.002884 -0.013345 0.005114 0.001972 0Rh 3py 0.000519 0.006662 -0.003975 -0.004046 -0.008429 -0.000703 0Rh 4pz -0.108225 0.217480 0.588552 0.196691 -0.189319 0.053102 0Rh 4px -0.065321 0.285526 0.062098 -0.515065 -0.165801 -0.004932 0Rh 4py -0.024242 -0.543632 0.268488 -0.184507 0.289868 0.050331 0Rh 5pz 0.222629 -0.337576 -0.907989 -0.299930 0.290281 -0.066317 0Rh 5px 0.110952 -0.431762 -0.104887 0.749801 0.234522 0.016477 0Rh 5py 0.043136 0.845021 -0.416254 0.231581 -0.437245 -0.079842 0Rh 6pz -2.278960 -0.134439 -0.005555 0.761967 0.535457 0.041016 0Rh 6px -0.666997 0.334126 -0.156013 -1.778451 0.416430 -0.135647 0Rh 6py -0.278139 0.082642 -0.071751 0.614164 -0.901132 -0.086208 0Rh 1dz2 0.025475 0.006559 0.021721 0.005602 -0.004254 -0.032602 0Rh 1dxz -0.023207 -0.010484 -0.029014 -0.002741 0.004298 0.018391 0Rh 1dyz 0.035407 -0.013740 0.004806 0.000434 0.016931 -0.045620 0Rh 1dx2y2 0.003640 -0.015892 -0.004296 -0.004510 0.016119 -0.000582 0Rh 1dxy 0.012190 0.030208 -0.015826 -0.005032 -0.000568 -0.022177 0Rh 2dz2 -0.003120 -0.001133 -0.003551 -0.001205 0.000774 0.005343 0Rh 2dxz 0.001414 0.001965 0.004641 -0.000160 -0.001680 -0.001792 0Rh 2dyz -0.007439 0.002235 -0.000628 -0.000049 -0.005782 0.009106 0Rh 2dx2y2 -0.001635 0.002357 0.000901 0.002226 -0.003810 0.000547 0Rh 2dxy -0.002889 -0.005186 0.002828 0.000474 0.001498 0.004015 0Rh 3dz2 -0.043344 -0.009893 -0.033826 -0.007484 0.006326 0.050974 0Rh 3dxz 0.045821 0.015229 0.045773 0.006977 -0.002527 -0.034221 0Rh 3dyz -0.046824 0.021419 -0.008159 -0.000800 -0.013489 0.064181 0Rh 3dx2y2 -0.001115 0.025684 0.005827 0.000630 -0.020085 -0.001009 0Rh 3dxy -0.014653 -0.045939 0.023689 0.009438 -0.005124 0.033041 0Rh 4dz2 -0.072633 -0.021143 -0.066415 -0.020816 0.014089 0.104007 0Rh 4dxz 0.042751 0.035426 0.087047 0.000552 -0.028387 -0.038986 0Rh 4dyz -0.146935 0.041331 -0.012621 0.000181 -0.096644 0.171181 0Rh 4dx2y2 -0.026900 0.045512 0.015281 0.033372 -0.068147 0.008801 0Rh 4dxy -0.055435 -0.094932 0.051265 0.008042 0.020832 0.075247 0Rh 5dz2 0.292702 0.062678 0.178300 0.034416 -0.030548 -0.352452 0Rh 5dxz -0.108334 -0.096338 -0.239822 -0.029787 0.108048 0.084148 0Rh 5dyz 0.672626 -0.105764 0.039800 -0.030175 0.370012 -0.646498 0Rh 5dx2y2 0.123554 -0.125749 -0.029203 -0.066912 0.236274 -0.046746 0Rh 5dxy 0.261111 0.248100 -0.135323 0.037751 -0.055577 -0.252916 0Rh 1f0 -0.017858 0.021969 -0.007322 -0.063074 0.013726 -0.020333 0Rh 1f+1 -0.002376 -0.007585 -0.015863 0.011642 0.000934 -0.005116 0Rh 1f-1 0.041664 0.016695 -0.031806 -0.052832 -0.013532 0.007642 0Rh 1f+2 -0.034226 0.014163 0.037241 0.011165 0.031073 -0.021388 0Rh 1f-2 0.005261 0.031222 -0.006597 -0.023154 0.035376 0.008917 0Rh 1f+3 0.020257 -0.033279 -0.003496 0.046451 -0.027962 0.010128 0Rh 1f-3 -0.006742 0.015511 -0.005497 0.027961 0.014039 -0.011467 1Rh 1s 0.000262 0.000217 0.000360 -0.000631 0.000958 0.000140 1Rh 2s -0.001558 -0.000571 -0.001041 0.001253 -0.005299 -0.000449 1Rh 3s 0.000574 0.000923 0.001471 -0.002929 0.002356 0.000544 1Rh 4s 0.007486 0.002603 0.004782 -0.005552 0.025485 0.002065 1Rh 5s -0.011234 0.000195 -0.000881 -0.005325 -0.035886 -0.000650 1Rh 6s 0.002152 -0.017787 -0.026771 0.058886 -0.007905 -0.010510 1Rh 7s 0.012074 0.170874 0.083966 -0.648064 0.268003 0.037321 1Rh 8s -0.012336 0.096943 -0.021680 -0.870647 -0.142105 -0.015289 1Rh 1pz 0.006274 0.010432 0.029017 0.009687 0.007877 0.005109 1Rh 1px 0.003553 0.014895 0.002467 -0.030055 0.006800 0.000516 1Rh 1py 0.001860 -0.026762 0.012976 -0.010706 -0.013940 0.002130 1Rh 2pz -0.021263 -0.034823 -0.097092 -0.032498 -0.025916 -0.017437 1Rh 2px -0.011910 -0.049976 -0.008172 0.101442 -0.022564 -0.001820 1Rh 2py -0.006222 0.089555 -0.043394 0.036057 0.046408 -0.007132 1Rh 3pz 0.003611 -0.004329 -0.007032 -0.000154 -0.010879 0.006520 1Rh 3px -0.000216 -0.000110 -0.002851 -0.013144 -0.005239 0.002091 1Rh 3py -0.000504 0.006649 -0.003859 -0.004144 0.008332 -0.000780 1Rh 4pz 0.114499 0.218479 0.587751 0.185972 0.189890 0.069905 1Rh 4px 0.069567 0.285709 0.060943 -0.520749 0.146983 0.000075 1Rh 4py 0.038620 -0.544829 0.266343 -0.179068 -0.298084 0.045985 1Rh 5pz -0.234086 -0.339477 -0.906520 -0.283282 -0.292699 -0.091471 1Rh 5px -0.116691 -0.431812 -0.102817 0.758766 -0.205133 0.009456 1Rh 5py -0.068076 0.846998 -0.412704 0.223832 0.449576 -0.073011 1Rh 6pz 2.329564 -0.122170 -0.021911 0.764881 -0.481762 -0.016934 1Rh 6px 0.671760 0.334337 -0.164855 -1.779958 -0.520323 -0.159174 1Rh 6py 0.374989 0.079556 -0.081391 0.589965 0.884621 -0.086557 1Rh 1dz2 0.025693 -0.006405 -0.021961 -0.005983 -0.005287 0.032223 1Rh 1dxz -0.023509 0.010258 0.029119 0.002860 0.004830 -0.017667 1Rh 1dyz 0.035942 0.013950 -0.004925 -0.001323 0.015534 0.045863 1Rh 1dx2y2 0.003615 0.015920 0.004376 0.004352 0.016099 0.000630 1Rh 1dxy 0.011789 -0.029974 0.015795 0.004872 -0.000748 0.022569 1Rh 2dz2 -0.003179 0.001126 0.003585 0.001229 0.000947 -0.005263 1Rh 2dxz 0.001425 -0.001944 -0.004632 0.000239 -0.001720 0.001591 1Rh 2dyz -0.007513 -0.002262 0.000623 0.000249 -0.005476 -0.009234 1Rh 2dx2y2 -0.001621 -0.002377 -0.000911 -0.002146 -0.003805 -0.000625 1Rh 2dxy -0.002803 0.005171 -0.002806 -0.000457 0.001582 -0.004073 1Rh 3dz2 -0.043578 0.009577 0.034218 0.008240 0.007926 -0.050459 1Rh 3dxz 0.046452 -0.014811 -0.046048 -0.007587 -0.003563 0.033439 1Rh 3dyz -0.047701 -0.021772 0.008447 0.001944 -0.011641 -0.064181 1Rh 3dx2y2 -0.001124 -0.025660 -0.005963 -0.000617 -0.020068 0.001232 1Rh 3dxy -0.014125 0.045483 -0.023714 -0.009148 -0.005085 -0.033679 1Rh 4dz2 -0.073636 0.020860 0.067147 0.021563 0.017337 -0.102500 1Rh 4dxz 0.043212 -0.034898 -0.087036 0.000418 -0.029481 0.035501 1Rh 4dyz -0.148501 -0.041985 0.012764 0.003571 -0.091073 -0.173194 1Rh 4dx2y2 -0.026606 -0.045827 -0.015520 -0.032118 -0.067827 -0.009892 1Rh 4dxy -0.053806 0.094449 -0.050907 -0.007634 0.022316 -0.076456 1Rh 5dz2 0.295899 -0.061373 -0.181061 -0.037770 -0.038832 0.347415 1Rh 5dxz -0.109819 0.094430 0.239622 0.026207 0.113576 -0.072179 1Rh 5dyz 0.677653 0.109220 -0.041707 0.014749 0.350129 0.654395 1Rh 5dx2y2 0.122103 0.127313 0.030234 0.062162 0.229811 0.050632 1Rh 5dxy 0.254527 -0.246002 0.133538 -0.040144 -0.064203 0.257624 1Rh 1f0 0.016517 0.022318 -0.007500 -0.063138 -0.013998 -0.020063 1Rh 1f+1 0.001501 -0.007462 -0.016002 0.011168 -0.000236 -0.004459 1Rh 1f-1 -0.045893 0.016354 -0.031262 -0.052366 0.011809 0.010008 1Rh 1f+2 0.034212 0.014486 0.036857 0.011377 -0.029572 -0.023182 1Rh 1f-2 -0.007897 0.031346 -0.006782 -0.022300 -0.035840 0.008555 1Rh 1f+3 -0.020286 -0.033546 -0.003347 0.045979 0.028298 0.011273 1Rh 1f-3 0.006414 0.015410 -0.005515 0.028033 -0.012937 -0.011935 2C 1s -0.002734 0.001705 -0.024972 0.013510 -0.007995 -0.013842 2C 2s -0.005877 0.005706 -0.083871 0.044994 -0.025526 -0.045077 2C 3s -0.011955 -0.114083 1.130028 -0.410464 0.293896 0.414221 2C 4s 0.287335 0.499756 -3.905838 1.007428 -0.966589 -0.992780 2C 5s 2.479631 -0.426163 2.757650 -0.352600 0.101779 0.650735 2C 1pz 0.077135 -0.024477 -0.000271 -0.023492 -0.018607 0.108713 2C 1px -0.039929 -0.035324 0.066542 0.011349 0.023943 -0.086124 2C 1py 0.002450 0.061189 0.009270 -0.010011 0.010903 -0.076553 2C 2pz -0.026491 0.248864 -1.262432 0.155149 -0.145572 -0.305463 2C 2px 0.126799 0.104608 -0.216362 -0.103002 -0.018962 0.125774 2C 2py 0.109546 -0.031100 -0.912063 0.103860 -0.212659 0.153787 2C 3pz 0.596362 -0.051153 -0.151601 0.264033 -0.154460 -0.020563 2C 3px 0.282986 -0.152813 0.568740 0.098608 0.172165 -0.051490 2C 3py 0.393681 0.107679 -0.147384 0.038622 -0.131341 -0.249838 2C 1dz2 -0.007977 0.002824 0.004558 -0.004873 -0.000220 -0.007766 2C 1dxz 0.000880 0.000497 -0.000783 -0.002592 0.000821 0.019485 2C 1dyz -0.006653 -0.002490 0.004546 -0.007219 0.003270 0.005176 2C 1dx2y2 0.005641 0.002760 -0.004950 0.004509 -0.004031 0.001076 2C 1dxy 0.003897 0.002777 -0.001973 -0.000485 0.001463 0.010476 2C 2dz2 0.075894 -0.020250 -0.431628 0.091699 -0.071341 0.101913 2C 2dxz -0.177448 -0.086858 -0.313434 0.190733 -0.078284 -0.228257 2C 2dyz 0.072915 0.120449 -0.517547 -0.002911 -0.045491 -0.005519 2C 2dx2y2 0.130625 -0.112835 0.352949 -0.067216 0.048767 0.217296 2C 2dxy -0.139109 0.066964 -0.025516 0.030834 0.070114 -0.246248 2C 1f0 0.014885 0.000341 -0.006104 -0.007829 -0.007661 0.018563 2C 1f+1 -0.003938 0.007430 0.003377 -0.016701 0.008552 -0.000914 2C 1f-1 -0.006008 0.009604 -0.048578 -0.013040 -0.005853 0.007397 2C 1f+2 -0.009589 -0.004013 0.017611 0.005293 0.003015 -0.010501 2C 1f-2 -0.005114 0.002767 -0.033011 -0.000464 -0.010768 -0.008464 2C 1f+3 -0.003743 -0.005301 0.000507 -0.008924 0.003131 0.010376 2C 1f-3 0.006925 -0.001877 0.015786 -0.004215 0.009727 0.016850 3C 1s -0.002002 -0.024371 -0.002546 -0.016718 -0.002937 -0.018864 3C 2s -0.009612 -0.081785 -0.008524 -0.054785 -0.010970 -0.059700 3C 3s 0.180089 1.107525 0.139990 0.567472 0.051210 0.563945 3C 4s -0.813384 -3.842579 -0.560033 -1.604195 0.153743 -1.314354 3C 5s -1.864735 2.606700 0.546408 2.096521 -0.049826 1.492798 3C 1pz -0.015601 -0.026159 -0.058501 -0.026739 0.061029 -0.094206 3C 1px -0.038054 0.034245 -0.027829 0.040757 -0.263697 0.111214 3C 1py 0.062874 -0.024285 -0.040454 0.040641 -0.101098 0.049879 3C 2pz -0.131978 -0.842408 0.020689 -0.062780 0.012668 0.244527 3C 2px -0.077038 -0.444468 -0.002053 -0.188900 0.507604 -0.163163 3C 2py 0.096152 1.253339 0.285298 0.081243 0.146164 -0.189070 3C 3pz -0.300700 -0.470835 -0.147455 -0.348088 0.146057 -0.077631 3C 3px -0.416723 0.282512 0.008190 0.167610 -0.421041 0.134523 3C 3py 0.599165 -0.024672 -0.101788 -0.046347 -0.063029 0.206886 3C 1dz2 -0.000446 0.002642 0.004488 -0.003096 -0.011560 0.008533 3C 1dxz 0.003241 0.002586 0.001953 0.005097 0.008209 0.000851 3C 1dyz -0.007700 -0.004608 -0.000898 -0.003702 0.007802 -0.011423 3C 1dx2y2 -0.004563 -0.003573 0.001535 -0.012731 0.016523 -0.013514 3C 1dxy -0.009046 -0.000624 -0.003246 -0.006403 -0.032756 0.009951 3C 2dz2 0.005670 0.008554 -0.019052 -0.052927 0.167952 -0.065252 3C 2dxz -0.013197 -0.326940 -0.147529 0.034200 -0.455561 0.227841 3C 2dyz -0.004024 0.378878 0.133833 0.146182 -0.207884 0.124313 3C 2dx2y2 0.019055 0.529106 -0.051811 0.115089 -0.206486 0.029581 3C 2dxy 0.113639 0.383145 0.035599 0.039040 0.267806 -0.192072 3C 1f0 0.000283 0.032981 -0.001262 -0.012216 -0.013710 -0.019188 3C 1f+1 -0.002324 0.012105 0.004211 -0.000427 0.021226 -0.018233 3C 1f-1 -0.010127 -0.008419 -0.001342 -0.018212 0.005409 -0.006553 3C 1f+2 0.003373 0.045325 0.007262 0.008039 -0.019467 0.017895 3C 1f-2 0.006719 0.024670 0.005037 0.003646 -0.003439 0.008162 3C 1f+3 0.003930 -0.015216 -0.009958 0.009037 -0.015264 0.014876 3C 1f-3 -0.004949 -0.006224 -0.000492 -0.005055 -0.028652 0.004292 4C 1s 0.006994 -0.002864 0.000260 0.022568 -0.002076 -0.020987 4C 2s 0.021576 -0.008982 -0.000226 0.071694 -0.007172 -0.066100 4C 3s -0.146911 0.102277 0.091496 -0.960125 0.223856 0.819824 4C 4s 0.529909 -0.361366 0.179073 2.883474 -0.814202 -2.241999 4C 5s -0.105255 0.312536 -1.092310 1.160914 -1.046365 -0.624623 4C 1pz 0.050323 0.034939 -0.055321 -0.089762 -0.036015 0.074677 4C 1px -0.028939 0.007746 0.002747 -0.071883 -0.050513 -0.172608 4C 1py 0.015080 -0.024067 -0.051510 0.173699 0.026070 -0.024161 4C 2pz 0.196536 0.146644 -1.678911 0.828597 -0.488330 -0.745646 4C 2px -0.525833 0.071813 -0.387531 0.092924 0.323111 0.421649 4C 2py -0.072560 0.119813 -1.113598 0.232946 -0.247922 -0.284859 4C 3pz 2.726688 0.004960 0.627690 0.990991 -0.900094 -0.792450 4C 3px -0.083258 0.191584 -0.239357 -0.203403 -0.209263 0.208539 4C 3py 1.651847 -0.173275 0.401475 1.056727 -0.557135 -0.234455 4C 1dz2 -0.004595 -0.011328 -0.004097 -0.002544 -0.001118 0.003260 4C 1dxz -0.009147 -0.004367 -0.001915 -0.008817 0.002481 0.014479 4C 1dyz -0.014877 0.007979 -0.009096 0.001216 -0.004592 -0.008193 4C 1dx2y2 0.001049 -0.009913 -0.008414 0.019788 -0.002449 -0.008312 4C 1dxy 0.004862 -0.000293 -0.007152 0.008477 -0.005153 -0.000159 4C 2dz2 0.195301 -0.198113 0.847166 -0.161663 0.146615 0.414605 4C 2dxz -0.371559 -0.146400 0.862876 -0.308670 0.459704 -0.069031 4C 2dyz -0.133940 -0.038760 0.669021 -0.031105 0.079609 -0.013399 4C 2dx2y2 -0.111265 0.067809 -1.176873 0.544238 -0.395486 -0.416852 4C 2dxy -0.207696 -0.003339 -0.251909 0.210404 -0.127889 -0.412525 4C 1f0 -0.002425 0.006969 0.005223 -0.034404 0.006833 0.014349 4C 1f+1 0.003268 0.003967 0.024014 -0.048678 0.019039 0.041045 4C 1f-1 0.008033 0.006703 -0.054841 0.011101 -0.008243 -0.017241 4C 1f+2 0.008668 -0.002539 0.003019 0.044663 -0.020530 -0.030052 4C 1f-2 -0.000530 0.001660 -0.016892 0.011468 0.003219 0.005478 4C 1f+3 0.017264 -0.002947 -0.010377 0.018143 -0.011144 -0.008436 4C 1f-3 0.014442 -0.000914 0.027315 -0.037169 0.010987 0.031345 5C 1s -0.009199 0.000970 0.001116 -0.024193 -0.011594 -0.024106 5C 2s -0.028910 0.002047 0.003530 -0.075820 -0.037205 -0.074568 5C 3s 0.280610 0.063011 -0.031975 0.984284 0.383232 0.879955 5C 4s -0.880499 0.273946 0.167144 -2.896948 -1.071100 -2.562332 5C 5s -0.035658 -0.968037 -0.308348 -1.710648 1.251123 -0.557784 5C 1pz -0.022736 -0.063580 0.022054 0.173188 0.056288 -0.164163 5C 1px -0.029611 -0.017169 -0.028383 0.030918 -0.363237 0.133551 5C 1py 0.058476 0.037090 0.020263 0.146563 -0.116682 -0.083645 5C 2pz -0.032538 -0.937061 -0.138966 -0.684054 -0.394706 0.089684 5C 2px -0.441773 -0.631054 -0.031124 -0.498599 1.250282 -0.585568 5C 2py 0.165496 1.687267 0.238578 0.593778 0.404745 0.478891 5C 3pz -1.491109 0.521450 0.220683 0.398395 -0.141824 -0.343533 5C 3px -1.112788 0.034496 0.079092 -0.596163 1.429218 -0.588133 5C 3py 2.566157 -0.537216 -0.009074 0.642074 -0.354288 0.221311 5C 1dz2 0.007933 0.010042 -0.011644 0.013348 -0.004606 0.009426 5C 1dxz -0.006176 0.003716 -0.005021 0.011864 0.009694 0.003932 5C 1dyz -0.009488 0.007885 0.008860 0.006216 -0.001429 0.003657 5C 1dx2y2 -0.011468 0.001489 -0.007243 -0.016954 -0.005315 -0.018624 5C 1dxy -0.014414 0.006928 -0.000944 -0.004937 -0.010430 0.002194 5C 2dz2 0.182345 0.371345 -0.029477 0.244643 0.113667 0.041453 5C 2dxz -0.148789 0.857260 0.058398 0.336620 -0.289419 0.270848 5C 2dyz -0.174845 -0.345586 -0.029225 0.076246 -0.261785 0.218882 5C 2dx2y2 -0.307996 -1.341769 -0.287845 -0.568055 -0.194648 -0.024972 5C 2dxy -0.038417 -0.709803 -0.047544 -0.213651 0.576404 -0.321005 5C 1f0 0.006862 0.048071 0.004658 0.029798 0.025097 0.018524 5C 1f+1 0.010444 0.022836 0.003540 0.048370 -0.005465 0.029226 5C 1f-1 -0.003320 0.006803 -0.003070 -0.000557 0.013069 -0.003980 5C 1f+2 0.008877 0.035234 0.006962 0.016138 0.000453 0.002572 5C 1f-2 0.007917 0.007487 -0.000245 -0.028392 -0.032828 -0.016187 5C 1f+3 0.013818 -0.005212 -0.001769 0.047994 -0.006929 0.027031 5C 1f-3 -0.004574 -0.017369 0.002725 -0.037922 -0.007511 -0.039814 6C 1s -0.008857 -0.001002 -0.001131 0.024311 -0.011717 0.023883 6C 2s -0.027838 -0.002157 -0.003557 0.076228 -0.037609 0.073816 6C 3s 0.266573 -0.061139 0.030889 -0.987400 0.387874 -0.871202 6C 4s -0.834960 -0.283757 -0.163084 2.905119 -1.084545 2.538113 6C 5s 0.020814 0.962381 0.322738 1.676892 1.256786 0.600806 6C 1pz 0.029432 -0.063481 0.022467 0.177852 -0.043543 -0.168120 6C 1px 0.030209 -0.015980 -0.027003 0.021096 0.357456 0.144540 6C 1py -0.051345 0.036788 0.022099 0.146267 0.122182 -0.081674 6C 2pz 0.024410 -0.937165 -0.139656 -0.692481 0.374844 0.102920 6C 2px 0.435850 -0.624581 -0.041036 -0.473751 -1.236420 -0.611504 6C 2py -0.166984 1.684685 0.239211 0.594804 -0.412404 0.466971 6C 3pz 1.501044 0.541422 0.197759 0.373201 0.170089 -0.337946 6C 3px 1.109658 0.039877 0.060259 -0.577057 -1.408430 -0.633739 6C 3py -2.521125 -0.572455 0.024615 0.668591 0.349279 0.231485 6C 1dz2 0.008012 -0.010022 0.011588 -0.013269 -0.004644 -0.009787 6C 1dxz -0.006367 -0.003692 0.005178 -0.011906 0.009545 -0.003568 6C 1dyz -0.009556 -0.007938 -0.008880 -0.006089 -0.001424 -0.003569 6C 1dx2y2 -0.010907 -0.001547 0.007323 0.017081 -0.005605 0.018456 6C 1dxy -0.014251 -0.007073 0.000986 0.005396 -0.010262 -0.002335 6C 2dz2 0.182536 -0.367644 0.025895 -0.250424 0.107903 -0.035544 6C 2dxz -0.148087 -0.859403 -0.061030 -0.323614 -0.278093 -0.278661 6C 2dyz -0.177049 0.342087 0.028609 -0.065919 -0.251709 -0.230807 6C 2dx2y2 -0.299911 1.333179 0.294118 0.577350 -0.182345 0.010969 6C 2dxy -0.040978 0.713519 0.050611 0.192334 0.555310 0.346323 6C 1f0 -0.006426 0.048083 0.004701 0.030113 -0.025221 0.017926 6C 1f+1 -0.009576 0.022672 0.003783 0.048054 0.005475 0.029045 6C 1f-1 0.003043 0.006854 -0.003184 -0.000394 -0.012867 -0.004309 6C 1f+2 -0.009187 0.035192 0.007099 0.016158 -0.000181 0.002360 6C 1f-2 -0.008548 0.007361 -0.000132 -0.028868 0.032582 -0.015350 6C 1f+3 -0.013184 -0.005421 -0.001552 0.047860 0.007182 0.027124 6C 1f-3 0.003896 -0.017316 0.002647 -0.037602 0.008285 -0.039708 7C 1s 0.006612 0.002870 -0.000244 -0.022591 -0.003521 0.021016 7C 2s 0.020285 0.008987 0.000283 -0.071735 -0.011734 0.066141 7C 3s -0.125256 -0.101110 -0.092013 0.955260 0.282018 -0.816832 7C 4s 0.445783 0.356305 -0.183018 -2.868053 -0.977359 2.228299 7C 5s -0.169820 -0.301890 1.084467 -1.150642 -1.113262 0.611581 7C 1pz -0.049517 0.033990 -0.053812 -0.085281 0.036139 0.068056 7C 1px 0.027271 0.006850 0.002918 -0.075178 0.052314 -0.162280 7C 1py -0.008548 -0.023960 -0.053470 0.168337 -0.027109 -0.015661 7C 2pz -0.193271 0.148058 -1.675312 0.811430 0.534140 -0.708623 7C 2px 0.536920 0.078056 -0.389986 0.094630 -0.323075 0.364971 7C 2py 0.074110 0.123135 -1.117839 0.236132 0.280919 -0.299508 7C 3pz -2.655203 -0.023477 0.670592 0.991506 0.946620 -0.737162 7C 3px 0.094640 0.190387 -0.241212 -0.194526 0.217624 0.170244 7C 3py -1.584855 -0.188728 0.414115 1.059374 0.585793 -0.210996 7C 1dz2 -0.004331 0.011396 0.004067 0.002530 -0.000990 -0.003134 7C 1dxz -0.008813 0.004302 0.001930 0.008747 0.003106 -0.014083 7C 1dyz -0.014456 -0.008024 0.009221 -0.000811 -0.004941 0.007947 7C 1dx2y2 0.000266 0.009841 0.008362 -0.019840 -0.003481 0.008334 7C 1dxy 0.004614 0.000363 0.007248 -0.008552 -0.005573 0.000268 7C 2dz2 0.194209 0.198559 -0.844275 0.149393 0.161149 -0.401645 7C 2dxz -0.369286 0.143823 -0.855836 0.313624 0.482094 0.070356 7C 2dyz -0.133349 0.038765 -0.670077 0.031388 0.081615 0.016150 7C 2dx2y2 -0.121286 -0.069667 1.179793 -0.532504 -0.429473 0.403629 7C 2dxy -0.216043 0.003710 0.253546 -0.197037 -0.139644 0.403220 7C 1f0 0.001681 0.006828 0.005631 -0.034276 -0.008404 0.014149 7C 1f+1 -0.005121 0.003829 0.024286 -0.047997 -0.021749 0.040709 7C 1f-1 -0.008577 0.006755 -0.054897 0.010896 0.009299 -0.016457 7C 1f+2 -0.007686 -0.002578 0.003450 0.044091 0.022671 -0.028711 7C 1f-2 0.000585 0.001696 -0.016777 0.011517 -0.002830 0.004752 7C 1f+3 -0.017360 -0.003103 -0.010278 0.018331 0.012030 -0.007555 7C 1f-3 -0.015824 -0.001160 0.027324 -0.036700 -0.013540 0.032149 8C 1s -0.002016 0.024333 0.002624 0.016618 -0.002968 0.018843 8C 2s -0.009602 0.081641 0.008791 0.054527 -0.011095 0.059561 8C 3s 0.179202 -1.104807 -0.143508 -0.564525 0.051427 -0.563984 8C 4s -0.805786 3.830212 0.573560 1.594464 0.156848 1.321029 8C 5s -1.889609 -2.630274 -0.523055 -2.050137 -0.080361 -1.506451 8C 1pz 0.012800 -0.025763 -0.058708 -0.023668 -0.057633 -0.095679 8C 1px 0.036413 0.036623 -0.026607 0.033737 0.258430 0.119642 8C 1py -0.062649 -0.024392 -0.039675 0.039794 0.102073 0.054789 8C 2pz 0.140776 -0.839078 0.017762 -0.068009 -0.018662 0.245046 8C 2px 0.079790 -0.443991 -0.005419 -0.177161 -0.502502 -0.177822 8C 2py -0.095067 1.252624 0.286694 0.082000 -0.148703 -0.200851 8C 3pz 0.290548 -0.464557 -0.150514 -0.345527 -0.147483 -0.080815 8C 3px 0.411963 0.298225 0.008493 0.154956 0.419861 0.147050 8C 3py -0.604003 -0.025911 -0.092681 -0.037415 0.054317 0.208454 8C 1dz2 -0.000435 -0.002583 -0.004607 0.003383 -0.011103 -0.008930 8C 1dxz 0.003139 -0.002462 -0.001926 -0.005325 0.008020 -0.000563 8C 1dyz -0.007544 0.004515 0.001043 0.003533 0.007280 0.011677 8C 1dx2y2 -0.004267 0.003659 -0.001509 0.012180 0.016212 0.014165 8C 1dxy -0.008754 0.000413 0.003190 0.007387 -0.031861 -0.010933 8C 2dz2 0.007620 -0.007758 0.019829 0.047298 0.162175 0.069656 8C 2dxz -0.008695 0.325025 0.147903 -0.021585 -0.447729 -0.244533 8C 2dyz -0.008743 -0.380252 -0.132512 -0.137058 -0.204406 -0.132184 8C 2dx2y2 0.025880 -0.529453 0.048467 -0.109470 -0.200605 -0.033903 8C 2dxy 0.114676 -0.381259 -0.035670 -0.048979 0.261788 0.204792 8C 1f0 -0.001015 0.032832 -0.001080 -0.012385 0.013355 -0.019248 8C 1f+1 0.002345 0.012213 0.004395 0.000723 -0.020490 -0.018615 8C 1f-1 0.009963 -0.008140 -0.001456 -0.018198 -0.005880 -0.006683 8C 1f+2 -0.003408 0.045059 0.007437 0.007373 0.019405 0.018645 8C 1f-2 -0.006948 0.024799 0.005071 0.003850 0.003931 0.008787 8C 1f+3 -0.004023 -0.015045 -0.009802 0.008721 0.014434 0.015673 8C 1f-3 0.004929 -0.005996 -0.000576 -0.005744 0.028340 0.005590 9C 1s -0.002593 -0.001794 0.025055 -0.013387 -0.009116 0.013815 9C 2s -0.005574 -0.005978 0.084126 -0.044609 -0.029180 0.044942 9C 3s -0.016017 0.115800 -1.131577 0.408078 0.329254 -0.411494 9C 4s 0.297284 -0.499363 3.905184 -1.004566 -1.057280 0.979221 9C 5s 2.430641 0.443850 -2.794259 0.357841 0.172009 -0.702156 9C 1pz -0.074553 -0.025784 -0.000434 -0.017941 0.017409 0.102387 9C 1px 0.040052 -0.035816 0.066272 0.009606 -0.023190 -0.080892 9C 1py -0.003439 0.061354 0.011017 -0.013499 -0.011476 -0.069919 9C 2pz 0.020780 0.251602 -1.262033 0.141130 0.159206 -0.283498 9C 2px -0.126580 0.105243 -0.212412 -0.100950 0.011241 0.117458 9C 2py -0.107998 -0.033169 -0.911390 0.109258 0.217797 0.144667 9C 3pz -0.574992 -0.055099 -0.156457 0.270272 0.165268 -0.017650 9C 3px -0.273587 -0.156071 0.575845 0.099668 -0.179233 -0.044055 9C 3py -0.399914 0.102252 -0.125469 0.033320 0.137013 -0.234070 9C 1dz2 -0.007468 -0.002833 -0.004619 0.005348 0.000168 0.007054 9C 1dxz 0.000965 -0.000531 0.000722 0.002234 0.001099 -0.018518 9C 1dyz -0.006365 0.002416 -0.004438 0.007244 0.003563 -0.004908 9C 1dx2y2 0.005484 -0.002604 0.004772 -0.004624 -0.004167 -0.001041 9C 1dxy 0.004040 -0.002809 0.001964 0.000255 0.001490 -0.010068 9C 2dz2 0.071831 0.019778 0.428987 -0.093577 -0.073716 -0.097619 9C 2dxz -0.183907 0.086657 0.315129 -0.183788 -0.087966 0.220448 9C 2dyz 0.076026 -0.118019 0.518392 0.000895 -0.048964 0.004566 9C 2dx2y2 0.125276 0.117377 -0.355789 0.058677 0.056513 -0.209310 9C 2dxy -0.133172 -0.067848 0.027120 -0.021132 0.066585 0.228970 9C 1f0 -0.015086 -0.000102 -0.005230 -0.006765 0.007410 0.017324 9C 1f+1 0.003047 0.007460 0.003451 -0.016808 -0.009053 -0.000399 9C 1f-1 0.004938 0.009787 -0.048337 -0.013320 0.005366 0.007755 9C 1f+2 0.010058 -0.004018 0.018398 0.004690 -0.003190 -0.010071 9C 1f-2 0.005004 0.002598 -0.032722 -0.000475 0.011006 -0.008402 9C 1f+3 0.003975 -0.005291 0.000162 -0.009030 -0.003690 0.009891 9C 1f-3 -0.006770 -0.002102 0.016069 -0.004087 -0.010753 0.016611 10H 1s 0.008661 -0.002769 0.061753 -0.020733 0.010248 0.008235 10H 2s -0.311657 -0.058005 -0.105899 0.212602 -0.002380 -0.305264 10H 3s -0.069425 0.164130 -0.880519 0.175063 -0.250243 -0.170969 10H 1pz -0.028756 -0.012143 -0.023900 0.016489 -0.005401 -0.042200 10H 1px 0.028276 0.011672 -0.053657 -0.000245 -0.021612 0.019565 10H 1py 0.000449 0.003481 -0.006860 0.000117 -0.004439 -0.043803 11H 1s 0.001279 0.002737 -0.006908 -0.007041 -0.015084 0.016260 11H 2s 0.037246 0.167049 0.412583 -0.210117 0.226460 0.000342 11H 3s -0.034535 -0.063261 -0.327585 0.284649 -0.065635 -0.131174 11H 1pz -0.004982 0.022249 0.054498 -0.018893 0.032605 -0.001899 11H 1px -0.005461 0.004952 0.028062 -0.008486 0.018406 0.027181 11H 1py -0.006440 -0.010571 -0.036989 0.020578 -0.006596 0.018049 12H 1s 0.003244 0.005878 0.018819 -0.018713 0.003762 0.014667 12H 2s 0.204104 -0.174685 0.200856 -0.084983 -0.012544 0.448564 12H 3s -0.091829 0.130661 -0.451934 0.241277 -0.071005 -0.422831 12H 1pz -0.020061 0.000917 -0.032214 0.004793 -0.000978 -0.019201 12H 1px 0.009515 0.004932 -0.012630 -0.015805 -0.015996 -0.007507 12H 1py 0.020380 -0.038104 0.043397 -0.015147 0.015050 0.096305 13H 1s -0.008558 0.059352 0.002970 -0.001917 -0.000729 0.004456 13H 2s 0.019004 -0.127742 -0.006357 0.226658 -0.585554 0.531514 13H 3s 0.085933 -0.784643 -0.144515 -0.705483 0.315648 -0.591794 13H 1pz 0.010951 0.018953 -0.002614 0.046462 -0.152056 0.106184 13H 1px -0.006120 -0.035143 -0.009248 -0.030662 0.030061 -0.048056 13H 1py -0.003621 0.039701 -0.002837 -0.016327 0.025836 -0.047121 14H 1s 0.003897 0.028607 -0.001783 -0.001433 0.020430 -0.002709 14H 2s -0.020286 0.169328 0.207516 -0.059961 0.566441 -0.019456 14H 3s -0.171161 -0.512453 -0.183204 -0.425859 -0.226671 -0.323746 14H 1pz 0.005962 0.039370 0.038578 0.015209 0.113575 -0.015373 14H 1px 0.007526 0.015262 0.021408 0.016285 0.048145 0.034292 14H 1py -0.014896 0.045861 0.004596 -0.005151 0.030900 -0.018911 15H 1s -0.006050 -0.013371 -0.002345 0.011903 0.023614 -0.002486 15H 2s 0.102885 0.461598 -0.135906 0.096510 -0.031048 0.035650 15H 3s -0.125639 -0.275427 0.038917 -0.337812 -0.014878 -0.366792 15H 1pz -0.003321 -0.036684 0.005967 -0.015765 -0.016842 -0.006290 15H 1px -0.001498 0.007307 0.007629 -0.000913 0.091189 -0.031026 15H 1py -0.036937 -0.064173 0.019539 -0.053838 0.047946 -0.034976 16H 1s 0.007821 -0.013641 0.015737 0.030983 0.029128 -0.053395 16H 2s 0.198009 -0.004632 -0.034887 0.065972 -0.038253 0.251860 16H 3s -0.075049 -0.028681 0.052094 0.010025 0.072272 -0.107806 16H 1pz -0.035217 -0.000175 -0.027081 -0.006431 0.005588 0.035200 16H 1px 0.201942 -0.008365 0.038628 -0.029656 -0.001085 -0.090564 16H 1py 0.112646 0.032229 -0.004236 -0.056657 -0.087769 0.027571 17H 1s -0.003297 -0.010275 0.004619 0.036686 -0.023198 0.059060 17H 2s 0.001790 -0.029951 -0.002484 0.029207 0.270149 -0.225023 17H 3s 0.102259 -0.019103 0.004314 0.008868 0.055420 0.124161 17H 1pz 0.017656 0.000845 -0.001840 0.023038 -0.001298 -0.043334 17H 1px -0.143198 -0.026999 -0.007431 -0.045077 0.014006 0.095793 17H 1py -0.153399 0.010282 -0.012156 -0.085683 0.019223 -0.041544 18H 1s -0.002815 0.010146 -0.005483 -0.036053 -0.023111 -0.059517 18H 2s 0.001321 0.030343 0.007251 -0.031403 0.265533 0.225137 18H 3s 0.104862 0.020599 -0.005958 -0.010922 0.055701 -0.122394 18H 1pz -0.019745 -0.000284 -0.000506 0.024205 0.002113 -0.044795 18H 1px 0.143190 -0.024924 -0.007977 -0.044627 -0.014535 0.096371 18H 1py 0.157650 0.011390 -0.013199 -0.086517 -0.019450 -0.043957 19H 1s 0.008806 0.013029 -0.015834 -0.032410 0.024556 0.054421 19H 2s 0.200756 0.009030 0.034900 -0.061462 -0.020546 -0.263360 19H 3s -0.071637 0.027427 -0.051198 -0.011439 0.064944 0.107284 19H 1pz 0.037236 -0.001278 -0.027299 -0.006348 -0.010466 0.034155 19H 1px -0.208262 -0.009520 0.040937 -0.027760 0.003742 -0.085942 19H 1py -0.112905 0.031519 -0.003260 -0.056839 0.084941 0.030282 20H 1s -0.006373 0.012818 0.002545 -0.012242 0.023562 0.003556 20H 2s 0.114730 -0.456550 0.131643 -0.100341 -0.032755 -0.035609 20H 3s -0.123957 0.275620 -0.036611 0.338869 -0.013385 0.367419 20H 1pz 0.004228 -0.036769 0.006053 -0.016372 0.015693 -0.006642 20H 1px 0.002370 0.007090 0.007429 0.001891 -0.087785 -0.032996 20H 1py 0.037568 -0.063119 0.018813 -0.053316 -0.048484 -0.036651 21H 1s 0.004670 -0.027997 0.001821 0.001030 0.020668 0.003246 21H 2s -0.027866 -0.171183 -0.206416 0.047107 0.558571 0.036751 21H 3s -0.158625 0.505806 0.182210 0.426777 -0.222138 0.319984 21H 1pz -0.003952 0.039359 0.038791 0.018528 -0.109708 -0.018372 21H 1px -0.006610 0.014777 0.020884 0.016639 -0.047406 0.033149 21H 1py 0.014767 0.045505 0.004553 -0.004707 -0.030680 -0.020217 22H 1s -0.007716 -0.059770 -0.003225 0.002079 0.000084 -0.004061 22H 2s 0.017278 0.128108 0.007102 -0.206676 -0.577389 -0.555411 22H 3s 0.093784 0.789481 0.145122 0.691399 0.318121 0.604319 22H 1pz -0.010838 0.018528 -0.002502 0.041450 0.147839 0.110487 22H 1px 0.005759 -0.035750 -0.009570 -0.030114 -0.031447 -0.049943 22H 1py 0.002310 0.039264 -0.002748 -0.015741 -0.026664 -0.049506 23H 1s 0.003303 -0.005935 -0.017875 0.017934 0.004030 -0.013940 23H 2s 0.191978 0.180475 -0.210923 0.071370 0.003511 -0.425419 23H 3s -0.084882 -0.130832 0.447445 -0.234931 -0.093500 0.415753 23H 1pz 0.019384 0.001366 -0.031533 0.003621 0.001651 -0.017953 23H 1px -0.009263 0.005392 -0.012203 -0.016957 0.015652 -0.006144 23H 1py -0.018805 -0.038824 0.044095 -0.012645 -0.017531 0.090261 24H 1s 0.001705 -0.002322 0.005925 0.006825 -0.014309 -0.016503 24H 2s 0.042629 -0.168837 -0.407870 0.213373 0.237082 -0.006967 24H 3s -0.043089 0.063960 0.334213 -0.294502 -0.085599 0.144934 24H 1pz 0.004163 0.023042 0.053620 -0.020925 -0.034123 0.001148 24H 1px 0.005760 0.005309 0.027676 -0.008273 -0.019924 0.024838 24H 1py 0.006930 -0.010722 -0.037662 0.021986 0.007411 0.015216 25H 1s 0.008411 0.003122 -0.062286 0.019978 0.011748 -0.007993 25H 2s -0.315746 0.054477 0.112233 -0.198428 -0.013835 0.288785 25H 3s -0.067100 -0.163428 0.885830 -0.179940 -0.273512 0.177217 25H 1pz 0.028713 -0.011932 -0.023534 0.014941 0.005740 -0.040710 25H 1px -0.028709 0.011201 -0.053323 0.001422 0.022123 0.017371 25H 1py -0.001075 0.004068 -0.008367 -0.001567 0.005248 -0.039675 26O 1s -0.010232 0.000338 -0.005747 0.001878 0.000490 -0.009607 26O 2s -0.021315 0.000160 -0.007251 0.002684 0.001658 -0.023580 26O 3s -0.063953 0.012538 -0.141197 0.058976 -0.017483 0.005015 26O 4s 1.020189 -0.083708 1.054770 -0.367680 0.073844 0.478362 26O 5s -2.287979 -0.091774 0.384105 -1.302255 0.821926 0.813286 26O 1pz 0.035788 0.026071 -0.054484 -0.009182 -0.027397 0.060829 26O 1px -0.029232 0.018023 -0.019381 -0.039209 -0.019851 -0.020970 26O 1py -0.006292 -0.013887 -0.047309 0.001054 -0.000501 0.032179 26O 2pz 0.049949 0.025810 -0.073847 0.025538 -0.069358 0.014947 26O 2px -0.162980 0.034116 -0.335954 0.257569 -0.091780 -0.326961 26O 2py -0.029823 -0.015544 -0.172879 0.176432 -0.058384 -0.109031 26O 3pz -0.847336 0.037697 -0.689818 0.107219 -0.098976 0.313059 26O 3px 0.010961 -0.062389 -0.348038 0.921943 -0.260112 -0.065153 26O 3py -0.751002 0.182898 -0.559050 0.195860 -0.097685 0.161898 26O 1dz2 0.005785 -0.000929 0.001483 0.000437 -0.000491 0.000486 26O 1dxz 0.004200 0.002741 -0.011685 -0.001522 -0.003569 0.002025 26O 1dyz 0.007640 0.001718 -0.004936 -0.001060 -0.000242 -0.002769 26O 1dx2y2 -0.002196 -0.000287 0.002678 0.001352 -0.001088 -0.000338 26O 1dxy -0.001131 0.000177 -0.007785 0.002301 -0.000669 0.000193 26O 2dz2 -0.094283 0.004123 0.055490 -0.010779 0.024112 -0.079088 26O 2dxz 0.035265 -0.007091 0.016573 -0.014119 0.028598 0.050560 26O 2dyz 0.032992 -0.042185 0.166319 0.081081 -0.023713 -0.021363 26O 2dx2y2 0.046723 -0.001037 0.034670 -0.124491 0.005165 -0.024938 26O 2dxy 0.042425 0.007201 0.086866 -0.045014 0.017094 -0.022312 26O 1f0 -0.000741 -0.001120 0.004169 -0.002041 0.002826 -0.000685 26O 1f+1 0.000637 -0.000373 0.005317 -0.006434 0.001390 0.003973 26O 1f-1 -0.002781 -0.001090 0.009233 -0.005716 0.000891 0.004190 26O 1f+2 0.001771 0.000667 -0.009275 -0.001116 -0.001004 -0.001929 26O 1f-2 -0.000287 -0.000913 0.002559 0.000930 0.000274 0.002260 26O 1f+3 0.001147 0.000985 -0.000409 -0.000154 -0.000496 0.001654 26O 1f-3 0.000934 0.000004 0.003579 -0.008868 -0.000305 0.003361 27O 1s -0.002996 -0.006634 -0.001924 -0.000945 -0.005465 0.012151 27O 2s -0.007857 -0.009390 -0.004180 -0.000650 -0.013989 0.032333 27O 3s 0.011040 -0.137408 -0.007801 -0.065520 0.028140 -0.106159 27O 4s -0.005833 1.079984 0.152319 0.356820 0.275263 -0.146872 27O 5s 1.817820 0.239161 0.041205 1.718191 -1.401651 1.703477 27O 1pz 0.044120 -0.037895 0.025837 0.034632 -0.001479 -0.036708 27O 1px 0.007904 -0.025932 -0.009630 0.002269 -0.062743 0.025330 27O 1py -0.022414 0.053178 0.018994 -0.002099 -0.025610 0.040574 27O 2pz 0.007157 -0.002241 0.031389 0.042085 -0.005714 -0.056511 27O 2px -0.180706 -0.350321 -0.051750 -0.377608 -0.096545 -0.209829 27O 2py 0.037011 0.098419 0.027902 0.147251 -0.009086 0.116712 27O 3pz 0.545251 -0.388704 -0.152584 -0.326663 0.476827 -0.046297 27O 3px -0.614662 -0.483405 -0.006096 -0.822750 1.101398 -0.813800 27O 3py -0.044276 0.686266 -0.022428 0.337044 -0.919939 0.291844 27O 1dz2 0.002482 0.003352 -0.000414 0.001369 -0.002381 0.001413 27O 1dxz 0.002292 -0.007645 -0.000111 -0.001291 0.003967 -0.001230 27O 1dyz 0.001905 0.001051 0.000243 -0.002095 -0.001731 -0.003391 27O 1dx2y2 -0.000125 -0.000073 -0.000456 -0.003717 -0.003072 -0.002671 27O 1dxy 0.006706 0.011709 0.002621 0.006823 -0.009539 0.000146 27O 2dz2 -0.082889 -0.083688 0.005945 0.015212 0.122492 -0.079287 27O 2dxz 0.001097 -0.002661 -0.009165 0.057627 0.035156 0.001171 27O 2dyz 0.072958 -0.174021 -0.022073 0.101634 0.053402 0.083947 27O 2dx2y2 0.028821 -0.021882 -0.007601 0.174157 -0.072746 0.125462 27O 2dxy 0.027835 -0.077150 -0.024748 -0.085969 -0.006912 -0.036547 27O 1f0 -0.000811 -0.003177 -0.000200 -0.001529 0.000611 0.001174 27O 1f+1 0.002537 0.001822 -0.000428 0.009389 -0.007024 0.011071 27O 1f-1 -0.000260 -0.001767 0.001108 -0.002569 0.002599 -0.000965 27O 1f+2 0.001090 -0.008285 -0.001755 0.005026 0.000772 0.000463 27O 1f-2 0.001153 -0.007762 -0.000964 -0.006284 0.003116 0.000124 27O 1f+3 0.004054 0.006167 0.000626 0.009684 -0.005824 0.011828 27O 1f-3 -0.001020 -0.006866 -0.000024 -0.008814 0.009426 -0.008285 28O 1s 0.005359 0.001428 -0.009367 0.000056 -0.002664 0.010845 28O 2s 0.014156 0.002897 -0.016357 -0.001119 -0.005154 0.030104 28O 3s -0.027842 0.007159 -0.127170 0.058334 -0.040871 -0.124260 28O 4s -0.059701 -0.120479 1.192414 -0.275332 0.358189 0.023272 28O 5s -1.494285 0.092948 -0.085696 -1.773706 1.234828 1.638481 28O 1pz -0.058102 0.030351 -0.055850 -0.015816 -0.000421 -0.033830 28O 1px -0.033084 0.012577 -0.005031 -0.015510 0.027303 -0.061460 28O 1py -0.028730 -0.021837 -0.038359 0.005659 -0.008087 -0.027630 28O 2pz 0.062084 0.028508 -0.237424 0.259591 -0.215601 -0.230768 28O 2px -0.137776 0.003227 0.283084 -0.283751 0.224907 0.125934 28O 2py -0.012532 -0.037747 -0.040294 0.112794 -0.044824 -0.068649 28O 3pz 0.325450 -0.024697 -0.828730 0.635424 -0.396355 -0.806725 28O 3px -0.834024 -0.050157 0.043529 -0.474061 0.376856 0.620863 28O 3py 0.085296 0.166943 -0.487953 -0.005347 -0.178197 -0.307397 28O 1dz2 -0.000721 0.001458 -0.009028 0.002554 -0.000541 -0.001449 28O 1dxz -0.003652 -0.001096 0.005754 -0.004204 0.004243 0.003868 28O 1dyz 0.002910 0.000209 -0.006266 0.000809 -0.001307 0.001230 28O 1dx2y2 0.002938 -0.001286 0.003716 0.001766 0.000178 0.001624 28O 1dxy -0.001920 0.001020 0.005961 -0.004612 0.002158 0.002120 28O 2dz2 0.042902 -0.005670 0.066070 -0.094882 -0.039483 -0.009257 28O 2dxz 0.079235 -0.012594 -0.022959 0.129066 -0.116095 -0.153213 28O 2dyz 0.056224 -0.030268 0.163776 0.130556 0.029460 -0.015835 28O 2dx2y2 0.005344 0.003022 0.037990 -0.055159 0.027644 0.043675 28O 2dxy 0.004943 -0.033239 0.056683 0.128356 -0.006449 -0.050718 28O 1f0 -0.001388 0.000561 0.002348 -0.009139 0.000762 0.004459 28O 1f+1 0.000524 0.000180 0.005642 -0.005768 0.003755 0.009660 28O 1f-1 0.002137 -0.001755 0.010409 0.000416 -0.000067 -0.000978 28O 1f+2 0.002234 -0.000992 -0.006607 0.009693 -0.006398 -0.013662 28O 1f-2 0.000981 -0.000945 0.003793 -0.002339 -0.000307 0.003213 28O 1f+3 0.003405 -0.000668 0.002227 0.005282 -0.002259 -0.005236 28O 1f-3 0.001924 -0.000057 0.004165 -0.006154 0.001282 0.005220 29O 1s -0.000175 -0.000206 0.000245 0.000562 -0.000346 0.000373 29O 2s 0.000065 -0.001074 0.001016 0.001794 0.000239 0.001024 29O 3s -0.009782 0.014773 -0.011827 -0.013810 -0.022977 -0.003976 29O 4s 0.072267 -0.041345 0.026485 -0.017193 0.143126 -0.002051 29O 5s -0.232280 -0.015792 0.038883 0.354779 -0.382486 0.026379 29O 1pz -0.003128 0.008944 0.019915 0.000559 -0.013218 0.005795 29O 1px -0.005309 0.009028 0.001584 -0.007051 0.013459 0.000317 29O 1py 0.001723 -0.024098 0.012635 0.001436 0.030022 -0.001360 29O 2pz -0.028775 0.001855 -0.030424 -0.002031 -0.040986 0.137747 29O 2px -0.017060 -0.007679 0.001911 0.003612 -0.015412 0.054945 29O 2py -0.009290 0.020152 -0.016116 -0.039666 -0.013274 -0.019672 29O 3pz 0.367208 -0.031215 0.025211 0.096938 -0.095275 -0.039596 29O 3px 0.075587 0.069673 -0.056918 -0.180328 -0.085756 -0.053571 29O 3py 0.131514 -0.027207 0.003631 0.097530 0.177386 0.040202 29O 1dz2 0.002517 0.000237 0.000222 0.002382 -0.000972 -0.001859 29O 1dxz -0.006296 -0.000359 -0.001067 0.002241 0.000695 0.002410 29O 1dyz -0.002626 -0.001164 -0.000683 0.000865 0.001276 0.001283 29O 1dx2y2 -0.002633 0.000100 -0.000388 -0.004997 0.000245 0.000939 29O 1dxy -0.001910 0.000989 -0.000784 -0.003672 -0.000703 -0.000295 29O 2dz2 0.081099 0.002476 -0.006871 -0.065818 0.001302 -0.098768 29O 2dxz -0.213120 0.008156 0.031481 0.019092 -0.045458 0.092448 29O 2dyz -0.124530 0.006516 0.017242 -0.013660 0.054623 -0.103033 29O 2dx2y2 -0.098694 0.047667 -0.009272 -0.149166 -0.069095 0.019958 29O 2dxy -0.065104 -0.033992 0.012748 0.076177 0.085796 -0.053014 29O 1f0 0.000554 0.002390 -0.001171 -0.006404 -0.002213 0.000061 29O 1f+1 -0.000263 -0.000628 0.001489 0.004000 0.000059 0.001040 29O 1f-1 -0.000099 0.001526 -0.001623 -0.002292 -0.002539 0.004234 29O 1f+2 0.001575 -0.001287 0.000530 0.005216 0.002267 -0.001677 29O 1f-2 -0.000734 -0.000007 -0.000304 -0.002217 0.002928 -0.006452 29O 1f+3 0.000361 -0.000187 0.000474 0.004965 -0.000924 0.002184 29O 1f-3 0.000878 -0.001701 0.000973 0.002046 -0.000435 0.003129 30O 1s 0.006031 -0.007818 -0.000314 -0.003463 0.006479 -0.007943 30O 2s 0.012156 -0.012454 0.000375 -0.006229 0.018128 -0.020558 30O 3s 0.042381 -0.133696 -0.023248 -0.063035 -0.067497 0.023525 30O 4s -0.672558 1.147125 0.135284 0.482646 -0.213965 0.271598 30O 5s 2.349811 -0.015906 0.003296 0.946834 0.975382 0.834605 30O 1pz -0.015835 -0.043158 0.018977 0.027468 0.059800 0.022713 30O 1px -0.021510 -0.011381 -0.007516 -0.025687 -0.084443 0.042019 30O 1py -0.010563 0.059438 0.035681 -0.000557 -0.045788 -0.053310 30O 2pz -0.011677 -0.195952 0.017466 -0.120185 0.050052 -0.128070 30O 2px -0.048695 0.253049 0.023078 0.212573 -0.033681 0.226322 30O 2py 0.049247 0.205204 0.043406 0.198332 -0.054383 0.083511 30O 3pz 0.024008 -0.489622 -0.239634 -0.632106 -0.851405 0.092770 30O 3px 0.513522 -0.157822 -0.034953 0.611507 0.444653 0.324513 30O 3py -0.802798 0.752814 0.088435 0.406777 1.113645 -0.198600 30O 1dz2 -0.002923 -0.003264 0.000279 0.000756 0.000226 0.001240 30O 1dxz -0.000106 0.001870 -0.001318 -0.000079 -0.001505 0.001302 30O 1dyz 0.007255 0.008558 0.001465 0.001134 0.007961 0.000851 30O 1dx2y2 0.004722 0.010025 0.001649 -0.001698 0.008864 -0.002279 30O 1dxy 0.005218 -0.004947 -0.001635 -0.002046 0.000831 0.002703 30O 2dz2 0.044171 -0.056908 -0.024240 0.030932 -0.043939 0.024353 30O 2dxz 0.086338 -0.016249 0.009961 -0.022865 -0.135463 -0.044865 30O 2dyz 0.016773 -0.172571 -0.036825 -0.036600 -0.054432 0.067505 30O 2dx2y2 0.042575 -0.038325 0.006200 0.109355 0.030210 -0.024770 30O 2dxy 0.011615 -0.042938 -0.007009 0.089011 0.065254 0.076988 30O 1f0 -0.000555 -0.004839 -0.000607 0.004614 0.006212 0.001088 30O 1f+1 -0.000261 0.003347 0.000752 -0.002261 0.004000 0.001252 30O 1f-1 -0.001027 -0.001337 0.000660 -0.002505 0.000181 0.001718 30O 1f+2 -0.001277 -0.005955 -0.001136 -0.002316 -0.006501 -0.005854 30O 1f-2 -0.001776 -0.006865 -0.001532 -0.008995 -0.015312 -0.004302 30O 1f+3 0.002392 0.008724 0.001813 0.003470 0.006014 -0.000147 30O 1f-3 -0.000406 -0.005483 -0.000241 -0.006270 -0.010456 -0.004871 31O 1s 0.006136 0.007945 0.000301 0.003180 0.006121 0.008245 31O 2s 0.012461 0.012735 -0.000393 0.005525 0.017213 0.021383 31O 3s 0.041536 0.134116 0.023035 0.063664 -0.066095 -0.025937 31O 4s -0.673365 -1.157996 -0.133513 -0.463628 -0.200120 -0.281858 31O 5s 2.333750 0.049285 -0.023136 -0.986404 0.972217 -0.812595 31O 1pz 0.017731 -0.043034 0.018585 0.028370 -0.059542 0.020494 31O 1px 0.021656 -0.010826 -0.007349 -0.028627 0.081464 0.045365 31O 1py 0.010251 0.059398 0.036105 -0.001573 0.047188 -0.053099 31O 2pz 0.014048 -0.196350 0.016495 -0.116586 -0.044838 -0.131460 31O 2px 0.049827 0.255102 0.023424 0.207389 0.026150 0.230712 31O 2py -0.045015 0.204771 0.044936 0.195604 0.052719 0.086042 31O 3pz -0.054434 -0.488717 -0.238535 -0.648862 0.827385 0.116194 31O 3px -0.505594 -0.164968 -0.031097 0.623514 -0.434671 0.312951 31O 3py 0.805179 0.756416 0.082117 0.423657 -1.089175 -0.236854 31O 1dz2 -0.002922 0.003237 -0.000259 -0.000731 0.000214 -0.001167 31O 1dxz -0.000083 -0.001905 0.001308 0.000170 -0.001383 -0.001397 31O 1dyz 0.007239 -0.008451 -0.001504 -0.001436 0.007916 -0.000615 31O 1dx2y2 0.004708 -0.009919 -0.001668 0.001368 0.008776 0.002648 31O 1dxy 0.005310 0.004984 0.001624 0.001943 0.000899 -0.002708 31O 2dz2 0.038457 0.057483 0.023568 -0.031198 -0.044346 -0.026340 31O 2dxz 0.086192 0.017425 -0.011087 0.023037 -0.135892 0.040041 31O 2dyz 0.016086 0.172663 0.036428 0.037950 -0.051677 -0.068165 31O 2dx2y2 0.038965 0.038745 -0.006299 -0.111616 0.026441 0.024318 31O 2dxy 0.008318 0.042613 0.007002 -0.089858 0.065159 -0.077218 31O 1f0 0.000762 -0.004824 -0.000638 0.004709 -0.006142 0.000985 31O 1f+1 0.000164 0.003325 0.000728 -0.002204 -0.004109 0.001158 31O 1f-1 0.000885 -0.001327 0.000645 -0.002517 -0.000350 0.001663 31O 1f+2 0.001367 -0.005960 -0.001105 -0.002416 0.006601 -0.005695 31O 1f-2 0.001765 -0.006833 -0.001480 -0.009317 0.015147 -0.003901 31O 1f+3 -0.002358 0.008677 0.001832 0.003680 -0.005859 -0.000396 31O 1f-3 0.000314 -0.005490 -0.000216 -0.006480 0.010426 -0.004576 32O 1s -0.000151 0.000170 -0.000275 -0.000609 -0.000606 -0.000392 32O 2s 0.000175 0.000975 -0.001104 -0.001935 -0.000448 -0.001064 32O 3s -0.011012 -0.014381 0.012295 0.014571 -0.021018 0.003710 32O 4s 0.076149 0.042024 -0.026524 0.016630 0.151893 0.003401 32O 5s -0.237399 0.010027 -0.043320 -0.357289 -0.429933 -0.022954 32O 1pz 0.003119 0.009328 0.019733 -0.000160 0.013469 0.006820 32O 1px 0.006099 0.008791 0.001195 -0.007267 -0.014120 -0.000247 32O 1py -0.002414 -0.024217 0.012478 0.001879 -0.030448 -0.001744 32O 2pz 0.030215 0.000892 -0.029759 -0.003060 0.034436 0.138868 32O 2px 0.016477 -0.007458 0.002835 0.004025 0.015849 0.054012 32O 2py 0.011620 0.019507 -0.017654 -0.040445 0.011368 -0.016232 32O 3pz -0.375367 -0.031427 0.027686 0.096235 0.105123 -0.029460 32O 3px -0.069513 0.068079 -0.057629 -0.184447 0.066148 -0.055942 32O 3py -0.147752 -0.027679 0.004556 0.099906 -0.173393 0.044880 32O 1dz2 0.002514 -0.000232 -0.000276 -0.002377 -0.001054 0.001930 32O 1dxz -0.006463 0.000327 0.001101 -0.002192 0.000748 -0.002270 32O 1dyz -0.002644 0.001125 0.000722 -0.000822 0.001254 -0.001235 32O 1dx2y2 -0.002613 -0.000140 0.000384 0.004990 0.000360 -0.000885 32O 1dxy -0.002147 -0.001002 0.000806 0.003720 -0.000572 0.000355 32O 2dz2 0.086160 -0.003138 0.005837 0.062314 -0.005504 0.097175 32O 2dxz -0.215097 -0.009874 -0.030467 -0.014533 -0.045335 -0.094705 32O 2dyz -0.126618 -0.009899 -0.015246 0.017032 0.046496 0.106675 32O 2dx2y2 -0.096681 -0.049208 0.009898 0.151844 -0.067345 -0.024340 32O 2dxy -0.075291 0.034222 -0.010350 -0.074712 0.083166 0.054593 32O 1f0 -0.000495 0.002241 -0.001081 -0.006282 0.001760 -0.000050 32O 1f+1 0.000226 -0.000696 0.001568 0.004209 0.000102 0.001234 32O 1f-1 0.000109 0.001523 -0.001668 -0.002569 0.002133 0.004265 32O 1f+2 -0.001726 -0.001337 0.000642 0.005408 -0.001961 -0.001734 32O 1f-2 0.000732 -0.000030 -0.000372 -0.002020 -0.002859 -0.006561 32O 1f+3 -0.000438 -0.000128 0.000525 0.004901 0.000997 0.001962 32O 1f-3 -0.000855 -0.001701 0.000972 0.001955 0.000447 0.003263 33O 1s 0.005148 -0.001405 0.009340 -0.000246 -0.002507 -0.010796 33O 2s 0.013563 -0.002816 0.016265 0.000575 -0.004598 -0.029894 33O 3s -0.026452 -0.007712 0.127659 -0.056028 -0.046798 0.121525 33O 4s -0.056216 0.122719 -1.194134 0.274941 0.381065 -0.016828 33O 5s -1.462764 -0.110869 0.111908 1.753532 1.325842 -1.558700 33O 1pz 0.055395 0.030704 -0.056216 -0.016658 0.001425 -0.035371 33O 1px 0.033334 0.012717 -0.005476 -0.016567 -0.026851 -0.060064 33O 1py 0.029103 -0.021762 -0.039037 0.004903 0.008749 -0.028173 33O 2pz -0.059648 0.028071 -0.235597 0.257005 0.234563 -0.224973 33O 2px 0.135076 0.003655 0.282273 -0.283211 -0.243040 0.119518 33O 2py 0.016885 -0.037618 -0.041099 0.112033 0.049661 -0.068052 33O 3pz -0.292850 -0.025390 -0.824487 0.619447 0.419157 -0.748110 33O 3px 0.808187 -0.044589 0.033612 -0.472830 -0.399093 0.589039 33O 3py -0.093041 0.165417 -0.487412 -0.014179 0.186825 -0.282610 33O 1dz2 -0.000683 -0.001458 0.009012 -0.002437 -0.000597 0.001165 33O 1dxz -0.003583 0.001079 -0.005682 0.004180 0.004488 -0.003647 33O 1dyz 0.002903 -0.000167 0.006277 -0.000725 -0.001212 -0.001453 33O 1dx2y2 0.002861 0.001278 -0.003721 -0.001864 0.000147 -0.001533 33O 1dxy -0.001847 -0.001048 -0.005983 0.004563 0.002336 -0.001957 33O 2dz2 0.042322 0.006559 -0.067297 0.094990 -0.038446 0.008051 33O 2dxz 0.077854 0.013515 0.021964 -0.127571 -0.124233 0.146851 33O 2dyz 0.049392 0.030466 -0.163716 -0.132728 0.026296 0.017873 33O 2dx2y2 0.007322 -0.002329 -0.038638 0.053651 0.029023 -0.038460 33O 2dxy 0.003807 0.032624 -0.056625 -0.128158 -0.011960 0.050408 33O 1f0 0.001270 0.000569 0.002345 -0.009112 -0.001112 0.004290 33O 1f+1 -0.000464 0.000196 0.005619 -0.005591 -0.004255 0.009312 33O 1f-1 -0.001868 -0.001769 0.010455 0.000457 0.000058 -0.000988 33O 1f+2 -0.002246 -0.000985 -0.006635 0.009434 0.007117 -0.013067 33O 1f-2 -0.001011 -0.000947 0.003830 -0.002223 0.000235 0.003055 33O 1f+3 -0.003310 -0.000683 0.002256 0.005258 0.002563 -0.005025 33O 1f-3 -0.001940 -0.000064 0.004220 -0.006000 -0.001548 0.005018 34O 1s -0.002915 0.006530 0.001925 0.001201 -0.005091 -0.012417 34O 2s -0.007661 0.009128 0.004179 0.001332 -0.013044 -0.032969 34O 3s 0.011407 0.137546 0.008103 0.063769 0.026696 0.106290 34O 4s -0.012242 -1.075294 -0.152997 -0.364933 0.260602 0.166048 34O 5s 1.799813 -0.218725 -0.073107 -1.700330 -1.380330 -1.748353 34O 1pz -0.042549 -0.038526 0.026298 0.035646 0.003536 -0.036242 34O 1px -0.007323 -0.025605 -0.009586 0.000258 0.060435 0.028203 34O 1py 0.022854 0.053644 0.019067 -0.003485 0.023968 0.042014 34O 2pz -0.004049 -0.002408 0.031196 0.042548 0.009157 -0.056740 34O 2px 0.176328 -0.345737 -0.055285 -0.382690 0.089937 -0.201371 34O 2py -0.033076 0.097585 0.029347 0.147397 0.008845 0.115396 34O 3pz -0.564045 -0.392941 -0.148324 -0.307222 -0.474251 -0.057031 34O 3px 0.588727 -0.475449 -0.014497 -0.794512 -1.064511 -0.846685 34O 3py 0.038264 0.688919 -0.020138 0.310846 0.900099 0.322181 34O 1dz2 0.002490 -0.003321 0.000385 -0.001328 -0.002322 -0.001511 34O 1dxz 0.002222 0.007667 0.000111 0.001094 0.003850 0.001338 34O 1dyz 0.001968 -0.001053 -0.000261 0.002160 -0.001743 0.003306 34O 1dx2y2 -0.000005 0.000016 0.000449 0.003810 -0.003021 0.002462 34O 1dxy 0.006716 -0.011676 -0.002739 -0.006634 -0.009536 -0.000476 34O 2dz2 -0.085946 0.082752 -0.004649 -0.016450 0.118584 0.085583 34O 2dxz 0.000150 0.002621 0.009248 -0.059000 0.033609 0.000682 34O 2dyz 0.072416 0.174731 0.021693 -0.103442 0.054516 -0.084053 34O 2dx2y2 0.023376 0.022630 0.006932 -0.171624 -0.072303 -0.124452 34O 2dxy 0.026637 0.077393 0.024662 0.084302 -0.005802 0.035322 34O 1f0 0.000721 -0.003166 -0.000204 -0.001544 -0.000714 0.001162 34O 1f+1 -0.002420 0.001800 -0.000374 0.009163 0.006871 0.011233 34O 1f-1 0.000220 -0.001779 0.001096 -0.002503 -0.002639 -0.000961 34O 1f+2 -0.000846 -0.008328 -0.001749 0.005133 -0.000599 0.000374 34O 1f-2 -0.001147 -0.007791 -0.000982 -0.006189 -0.003238 0.000043 34O 1f+3 -0.004107 0.006133 0.000684 0.009440 0.005637 0.012022 34O 1f-3 0.000907 -0.006883 -0.000099 -0.008530 -0.009323 -0.008568 35O 1s -0.010359 -0.000376 0.005843 -0.001670 0.000243 0.009529 35O 2s -0.021646 -0.000215 0.007451 -0.002226 0.001131 0.023333 35O 3s -0.064144 -0.013357 0.141806 -0.057844 -0.019828 -0.003460 35O 4s 1.027687 0.090441 -1.064522 0.346253 0.095271 -0.476727 35O 5s -2.246712 0.077711 -0.356962 1.317318 0.908366 -0.827477 35O 1pz -0.036946 0.025603 -0.053811 -0.008339 0.026197 0.061360 35O 1px 0.028632 0.017825 -0.019422 -0.040954 0.018446 -0.018581 35O 1py 0.005617 -0.013543 -0.047740 -0.000015 -0.000685 0.034346 35O 2pz -0.047671 0.025450 -0.072603 0.024492 0.070877 0.017068 35O 2px 0.169192 0.035557 -0.336871 0.249148 0.108026 -0.326355 35O 2py 0.036203 -0.014653 -0.174151 0.171883 0.065530 -0.106391 35O 3pz 0.860407 0.043053 -0.698795 0.103814 0.102993 0.287216 35O 3px 0.033033 -0.061486 -0.345430 0.923986 0.308485 -0.091108 35O 3py 0.762106 0.187535 -0.561771 0.197180 0.119651 0.131954 35O 1dz2 0.005907 0.000970 -0.001534 -0.000586 -0.000519 -0.000423 35O 1dxz 0.004138 -0.002702 0.011620 0.001404 -0.003622 -0.001858 35O 1dyz 0.007785 -0.001679 0.004852 0.000864 -0.000418 0.002927 35O 1dx2y2 -0.002340 0.000300 -0.002684 -0.001265 -0.001122 0.000344 35O 1dxy -0.001268 -0.000218 0.007814 -0.002263 -0.000794 -0.000140 35O 2dz2 -0.096959 -0.005705 -0.054462 0.013000 0.020105 0.080561 35O 2dxz 0.037428 0.007427 -0.016886 0.012479 0.030033 -0.049896 35O 2dyz 0.025849 0.043022 -0.166283 -0.081147 -0.025803 0.021427 35O 2dx2y2 0.050960 0.001622 -0.034947 0.124150 0.008116 0.020091 35O 2dxy 0.044146 -0.006988 -0.087124 0.044960 0.019490 0.017028 35O 1f0 0.000775 -0.001122 0.004110 -0.002044 -0.002952 -0.000620 35O 1f+1 -0.000806 -0.000425 0.005309 -0.006417 -0.001808 0.004272 35O 1f-1 0.002938 -0.001110 0.009230 -0.005755 -0.001278 0.004300 35O 1f+2 -0.001952 0.000655 -0.009266 -0.000973 0.001247 -0.002153 35O 1f-2 0.000395 -0.000911 0.002555 0.000956 -0.000291 0.002164 35O 1f+3 -0.001140 0.000971 -0.000457 -0.000252 0.000282 0.001953 35O 1f-3 -0.001183 -0.000053 0.003618 -0.008891 -0.000168 0.003795 306 307 308 309 310 311 1.43468 1.44092 1.44257 1.44721 1.45385 1.46008 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s -0.001074 0.001431 -0.002407 0.001500 -0.001742 -0.000114 0Rh 2s 0.005785 -0.007812 0.013107 -0.004543 0.005591 0.000633 0Rh 3s -0.002737 0.003586 -0.006051 0.005999 -0.006774 -0.000276 0Rh 4s -0.027799 0.037516 -0.062985 0.021100 -0.026063 -0.003023 0Rh 5s 0.037970 -0.051348 0.086590 -0.007011 0.011851 0.003881 0Rh 6s 0.014528 -0.020252 0.030836 -0.109996 0.121633 0.002985 0Rh 7s -0.158911 0.325940 -0.538976 0.643381 -0.739370 0.008203 0Rh 8s -0.147690 0.026193 -0.045005 0.330793 -0.287846 -0.058400 0Rh 1pz 0.013298 0.006802 -0.003393 -0.000856 -0.003886 -0.002034 0Rh 1px 0.002923 0.002270 0.000166 -0.010466 0.007800 -0.002276 0Rh 1py 0.008143 0.001866 -0.000917 0.000671 0.002242 0.009469 0Rh 2pz -0.044185 -0.022560 0.011026 0.002986 0.013493 0.007218 0Rh 2px -0.009436 -0.008002 -0.000093 0.035593 -0.026540 0.007753 0Rh 2py -0.026697 -0.006316 0.003409 -0.002369 -0.007563 -0.031380 0Rh 3pz -0.009599 -0.005666 0.007685 -0.002035 -0.010198 -0.007634 0Rh 3px -0.007974 0.007777 -0.009336 -0.010511 0.008119 -0.002080 0Rh 3py -0.013107 0.000751 -0.006502 0.002549 0.000407 -0.008989 0Rh 4pz 0.288792 0.149383 -0.093229 -0.010924 -0.030571 -0.013796 0Rh 4px 0.085607 0.016253 0.034361 -0.153951 0.113066 -0.036490 0Rh 4py 0.201478 0.034835 0.003879 0.002737 0.043290 0.214866 0Rh 5pz -0.427415 -0.210781 0.148454 0.037896 0.012494 0.017880 0Rh 5px -0.139892 -0.021764 -0.040274 0.163112 -0.101760 0.048018 0Rh 5py -0.297739 -0.061310 -0.003475 -0.012193 -0.058515 -0.326078 0Rh 6pz -1.066431 -0.891546 0.036251 -0.487964 0.165265 0.200583 0Rh 6px 0.019629 -0.163309 -0.141294 1.014214 -1.215967 0.245743 0Rh 6py -0.956798 0.162130 -0.094035 0.320504 -0.305732 -0.498336 0Rh 1dz2 0.011083 -0.005580 -0.001855 -0.001947 -0.000637 -0.013374 0Rh 1dxz -0.015067 -0.005420 0.004977 -0.009998 -0.019085 -0.002969 0Rh 1dyz 0.013428 -0.008053 -0.000619 -0.036068 -0.021209 -0.044601 0Rh 1dx2y2 0.006736 -0.001195 -0.004803 -0.023487 -0.000993 -0.001956 0Rh 1dxy -0.009785 -0.002714 -0.008169 -0.001039 -0.013673 -0.024986 0Rh 2dz2 -0.003415 0.000991 0.002550 0.000112 0.002021 0.003534 0Rh 2dxz 0.004527 0.001103 -0.000115 -0.000982 0.003647 0.000451 0Rh 2dyz -0.004026 0.001764 0.000763 0.006162 0.004310 0.011016 0Rh 2dx2y2 -0.001790 0.002315 -0.000714 0.005856 -0.002180 0.000383 0Rh 2dxy 0.001753 0.001769 0.000671 0.001983 0.001322 0.006918 0Rh 3dz2 -0.010511 0.008509 -0.006666 0.004120 -0.007619 0.015174 0Rh 3dxz 0.014823 0.007664 -0.010802 0.027395 0.027766 0.004833 0Rh 3dyz -0.013142 0.010614 -0.001895 0.055561 0.029664 0.054210 0Rh 3dx2y2 -0.007582 -0.007138 0.014044 0.027854 0.012073 0.002789 0Rh 3dxy 0.014703 -0.001429 0.015669 -0.006391 0.025763 0.027219 0Rh 4dz2 -0.058095 0.017516 0.036451 0.001318 0.035316 0.062587 0Rh 4dxz 0.077232 0.019037 -0.006152 -0.011601 0.070051 0.009612 0Rh 4dyz -0.068704 0.033333 0.011609 0.118708 0.082138 0.196408 0Rh 4dx2y2 -0.031058 0.032687 -0.007142 0.110021 -0.037412 0.007839 0Rh 4dxy 0.033897 0.027441 0.016953 0.034416 0.026372 0.120016 0Rh 5dz2 0.215227 -0.056515 -0.139795 0.012333 -0.234568 -0.253228 0Rh 5dxz -0.267822 -0.043099 0.011683 0.156243 -0.275887 -0.042974 0Rh 5dyz 0.267760 -0.140892 -0.059004 -0.432917 -0.349265 -0.777913 0Rh 5dx2y2 0.108557 -0.129266 0.052563 -0.486809 0.255595 -0.047713 0Rh 5dxy -0.104396 -0.114609 -0.057766 -0.220903 -0.034589 -0.456709 0Rh 1f0 0.010229 0.003595 0.001548 -0.010991 0.012797 0.012654 0Rh 1f+1 0.031624 -0.000840 0.001725 0.019800 -0.007684 -0.023254 0Rh 1f-1 0.053545 0.013570 0.010974 -0.008218 -0.025326 0.055422 0Rh 1f+2 -0.021031 -0.031201 0.025217 0.027048 -0.013862 0.008850 0Rh 1f-2 0.042127 -0.011783 0.009527 0.030773 -0.001897 -0.010721 0Rh 1f+3 0.010478 -0.000256 0.010184 0.017735 -0.026975 -0.000483 0Rh 1f-3 0.006751 -0.001227 0.007960 0.013457 -0.025722 0.029631 1Rh 1s -0.001126 0.001382 -0.002337 -0.001570 0.001747 -0.000169 1Rh 2s 0.005962 -0.007641 0.012892 0.004906 -0.005629 0.000814 1Rh 3s -0.002936 0.003403 -0.005775 -0.006190 0.006784 -0.000492 1Rh 4s -0.028628 0.036719 -0.061986 -0.022841 0.026247 -0.003870 1Rh 5s 0.038442 -0.050859 0.086225 0.009254 -0.012133 0.004300 1Rh 6s 0.017964 -0.017088 0.025789 0.111555 -0.121606 0.006800 1Rh 7s -0.172936 0.316800 -0.511122 -0.661442 0.739396 -0.011592 1Rh 8s -0.142215 0.037929 -0.034606 -0.335121 0.289012 -0.067148 1Rh 1pz -0.013196 -0.006865 0.003302 -0.000614 -0.004411 0.002111 1Rh 1px -0.002736 -0.001868 0.000166 -0.010367 0.007603 0.002163 1Rh 1py -0.007967 -0.001644 0.000836 0.000885 0.002530 -0.009214 1Rh 2pz 0.043821 0.022759 -0.010719 0.002197 0.015242 -0.007461 1Rh 2px 0.008809 0.006652 -0.001035 0.035252 -0.025873 -0.007357 1Rh 2py 0.026101 0.005563 -0.003136 -0.003079 -0.008525 0.030519 1Rh 3pz 0.010060 0.005982 -0.007699 -0.002544 -0.009866 0.007251 1Rh 3px 0.007909 -0.007791 0.009688 -0.010295 0.008023 0.001707 1Rh 3py 0.013208 -0.000645 0.006526 0.002394 0.000259 0.008970 1Rh 4pz -0.288725 -0.151970 0.091503 -0.004466 -0.041875 0.016905 1Rh 4px -0.081622 -0.008350 -0.029678 -0.152811 0.109581 0.035993 1Rh 4py -0.198443 -0.030980 -0.005539 0.007444 0.049346 -0.209512 1Rh 5pz 0.428563 0.215876 -0.146355 0.027948 0.029244 -0.022721 1Rh 5px 0.131939 0.007909 0.036297 0.161319 -0.096577 -0.049781 1Rh 5py 0.292838 0.055342 0.006474 -0.019512 -0.067208 0.316454 1Rh 6pz 1.048102 0.868454 -0.020968 -0.505214 0.211346 -0.220572 1Rh 6px 0.048172 0.248347 0.089370 1.014982 -1.200404 -0.193849 1Rh 6py 0.969831 -0.145876 0.081874 0.316289 -0.332600 0.519357 1Rh 1dz2 0.012084 -0.004786 -0.001819 0.002088 0.001174 -0.013345 1Rh 1dxz -0.016040 -0.006116 0.004788 0.010233 0.018496 -0.002301 1Rh 1dyz 0.014696 -0.007365 -0.001728 0.037334 0.022373 -0.042843 1Rh 1dx2y2 0.006849 -0.001013 -0.005454 0.023770 0.001071 -0.001208 1Rh 1dxy -0.009704 -0.002881 -0.008368 0.001588 0.014279 -0.024242 1Rh 2dz2 -0.003532 0.000892 0.002515 -0.000089 -0.002193 0.003545 1Rh 2dxz 0.004662 0.001207 -0.000175 0.000953 -0.003492 0.000438 1Rh 2dyz -0.004228 0.001644 0.000951 -0.006475 -0.004634 0.010693 1Rh 2dx2y2 -0.001863 0.002240 -0.000516 -0.005966 0.002211 0.000169 1Rh 2dxy 0.001702 0.001754 0.000771 -0.002165 -0.001486 0.006762 1Rh 3dz2 -0.012292 0.007120 -0.006590 -0.004533 0.007139 0.015060 1Rh 3dxz 0.016451 0.008800 -0.010095 -0.027803 -0.027088 0.003337 1Rh 3dyz -0.015151 0.009567 -0.000185 -0.057093 -0.030918 0.051594 1Rh 3dx2y2 -0.007515 -0.007217 0.014652 -0.028021 -0.012381 0.002023 1Rh 3dxy 0.014747 -0.000978 0.015684 0.005928 -0.026434 0.026193 1Rh 4dz2 -0.060452 0.015600 0.035822 -0.001208 -0.038276 0.062713 1Rh 4dxz 0.080068 0.021201 -0.007108 0.010942 -0.067392 0.009234 1Rh 4dyz -0.072680 0.031053 0.015232 -0.124283 -0.087757 0.190226 1Rh 4dx2y2 -0.032412 0.031189 -0.003478 -0.111861 0.037750 0.003831 1Rh 4dxy 0.033004 0.027238 0.018725 -0.037492 -0.029220 0.117100 1Rh 5dz2 0.219952 -0.053468 -0.136174 -0.011649 0.246343 -0.253604 1Rh 5dxz -0.278813 -0.052559 0.019759 -0.153956 0.267356 -0.047504 1Rh 5dyz 0.281229 -0.133418 -0.071583 0.454768 0.371636 -0.753858 1Rh 5dx2y2 0.118061 -0.118639 0.035009 0.494327 -0.256644 -0.028042 1Rh 5dxy -0.099103 -0.110993 -0.067325 0.232917 0.045162 -0.444596 1Rh 1f0 -0.010619 -0.003404 -0.001239 -0.010431 0.013427 -0.013616 1Rh 1f+1 -0.031569 0.000869 -0.002330 0.019340 -0.008925 0.023945 1Rh 1f-1 -0.052987 -0.012841 -0.010507 -0.006610 -0.025048 -0.057203 1Rh 1f+2 0.020860 0.030873 -0.026834 0.025851 -0.011864 -0.008069 1Rh 1f-2 -0.041653 0.012349 -0.010436 0.029990 -0.002287 0.011094 1Rh 1f+3 -0.010012 0.000479 -0.010672 0.017459 -0.027710 0.001012 1Rh 1f-3 -0.007059 0.000973 -0.008476 0.013815 -0.024659 -0.029932 2C 1s 0.003618 -0.016211 0.026209 0.001589 0.032632 0.014299 2C 2s 0.013515 -0.051418 0.082904 0.004938 0.102080 0.044679 2C 3s -0.047143 0.478864 -0.814930 -0.005550 -1.000441 -0.535008 2C 4s -0.280649 -1.091978 2.070680 -0.100753 2.396051 1.852149 2C 5s 0.109331 2.381849 -2.403235 -0.656617 -2.958923 0.867896 2C 1pz -0.137482 -0.151769 -0.039954 0.008587 0.194297 0.018500 2C 1px 0.220608 0.005994 -0.076740 0.013792 -0.111908 -0.034602 2C 1py 0.022817 0.173850 0.153022 -0.094162 -0.027050 -0.018338 2C 2pz 0.158651 0.463583 0.222403 -0.138414 -0.594919 0.348660 2C 2px -0.399802 0.106098 0.107620 -0.015250 0.057888 0.035157 2C 2py -0.134610 -0.446777 -0.398073 0.184460 -0.054917 0.371719 2C 3pz -0.099889 -0.043692 0.067148 -0.176599 0.269418 0.524838 2C 3px 0.421112 0.122772 -0.269149 -0.024535 -0.184634 -0.336481 2C 3py 0.067438 0.208095 0.177514 -0.093644 0.065779 0.313065 2C 1dz2 0.016665 0.015261 -0.007247 -0.004299 -0.023031 0.005171 2C 1dxz -0.024624 -0.009080 -0.000523 -0.004340 0.014911 -0.006317 2C 1dyz -0.004495 0.000955 -0.009061 0.004375 -0.005448 -0.000021 2C 1dx2y2 -0.008694 -0.003933 0.008685 -0.001234 0.006205 0.002283 2C 1dxy -0.021291 -0.001187 0.008836 -0.002395 0.012126 -0.002750 2C 2dz2 -0.123409 -0.195899 -0.020800 0.034068 0.067042 0.101615 2C 2dxz 0.396060 -0.052747 -0.207183 0.077662 -0.301343 0.206925 2C 2dyz -0.095341 0.020938 0.073570 0.002356 -0.069285 0.005857 2C 2dx2y2 -0.178236 -0.201744 -0.143657 0.050413 0.206139 -0.144491 2C 2dxy 0.290424 0.336153 0.100516 -0.065276 -0.319848 -0.046506 2C 1f0 -0.028318 -0.029110 -0.008182 0.007816 0.034336 0.003439 2C 1f+1 0.005091 0.012546 -0.005164 -0.003262 -0.011974 -0.012006 2C 1f-1 -0.014986 0.012679 -0.004087 -0.010692 -0.004618 0.023649 2C 1f+2 0.024317 0.001570 -0.016803 0.008416 -0.030656 -0.004763 2C 1f-2 -0.002396 -0.011654 0.010203 -0.002391 0.025193 0.022302 2C 1f+3 0.006600 0.010245 -0.036314 0.002129 -0.041803 -0.007358 2C 1f-3 -0.017621 0.004760 -0.003246 -0.001253 0.000733 -0.024072 3C 1s 0.009573 -0.019082 0.026293 0.018530 0.002788 -0.017000 3C 2s 0.030142 -0.059847 0.083811 0.059136 0.009112 -0.052720 3C 3s -0.337112 0.584060 -0.793716 -0.506714 -0.068193 0.639622 3C 4s 1.101923 -1.451280 1.861814 1.019138 0.168257 -2.167279 3C 5s -0.170268 1.840457 -3.145929 -1.183322 -0.563528 -0.484295 3C 1pz 0.103108 -0.173764 -0.094664 0.032151 -0.108989 -0.022838 3C 1px 0.009885 -0.015520 -0.029911 0.192687 -0.046374 -0.033911 3C 1py 0.057210 -0.068380 -0.098518 0.140193 -0.043811 0.013670 3C 2pz -0.104268 0.446644 0.306096 -0.237773 0.351560 -0.293039 3C 2px -0.012298 0.107875 0.045739 -0.361900 0.059329 -0.110793 3C 2py -0.339341 0.223497 0.310492 -0.190350 0.130151 0.299606 3C 3pz 0.325070 -0.241886 -0.027316 0.014303 -0.123344 -0.488754 3C 3px -0.113473 0.100955 -0.094806 0.293501 -0.105407 -0.052035 3C 3py -0.131391 -0.086823 0.001211 0.038361 -0.007103 0.336596 3C 1dz2 -0.006394 0.009963 0.003939 0.002006 0.001722 0.001921 3C 1dxz -0.001844 0.002181 -0.003016 -0.011630 0.001761 0.007116 3C 1dyz 0.001849 -0.004145 0.008811 -0.006439 0.002838 0.003213 3C 1dx2y2 0.002596 -0.009938 0.008792 -0.009960 0.002704 0.007172 3C 1dxy 0.001402 -0.000475 -0.001883 0.027486 -0.005822 -0.012289 3C 2dz2 -0.003246 -0.031867 0.030013 -0.123589 0.017943 -0.010991 3C 2dxz 0.164682 -0.081727 -0.095681 0.379721 -0.092255 -0.214759 3C 2dyz -0.063531 0.210056 0.115093 0.119209 0.082159 -0.150945 3C 2dx2y2 0.008791 -0.165913 -0.220795 0.220726 -0.202125 0.093930 3C 2dxy -0.003582 -0.146909 -0.087305 -0.184715 -0.058385 0.208194 3C 1f0 0.005597 -0.023578 0.010219 0.026582 -0.005253 0.015159 3C 1f+1 -0.005178 -0.011537 0.000625 -0.010838 -0.002324 0.018289 3C 1f-1 -0.001314 0.003654 0.028469 -0.001071 0.009144 -0.018933 3C 1f+2 -0.014857 0.019097 -0.014381 0.005139 0.003673 0.037171 3C 1f-2 -0.004223 0.011745 -0.002478 -0.004254 0.006389 0.022047 3C 1f+3 0.006633 0.000657 -0.018240 0.005865 -0.011764 -0.004319 3C 1f-3 0.012918 -0.006866 0.010685 0.030126 0.002758 -0.019532 4C 1s 0.015233 -0.021707 0.028327 0.006977 0.029791 -0.004329 4C 2s 0.048499 -0.067483 0.088716 0.021949 0.091914 -0.013242 4C 3s -0.491242 0.767684 -1.122430 -0.221625 -1.073203 -0.145948 4C 4s 1.192763 -2.082966 3.256261 0.468030 3.209427 0.718961 4C 5s -1.518014 -0.313111 1.480790 0.661250 0.561462 2.532480 4C 1pz -0.120006 -0.243439 -0.153344 0.104510 0.111491 0.044264 4C 1px 0.341476 -0.008829 -0.158367 0.039387 -0.114756 0.152045 4C 1py 0.029225 0.385115 0.258927 -0.181079 -0.202442 -0.060628 4C 2pz 0.595350 0.075976 0.962037 -0.117268 0.197760 0.802045 4C 2px -1.430672 -0.253236 0.350186 -0.164307 0.347151 -0.744789 4C 2py -0.143159 -0.838203 0.110839 0.296270 0.599404 0.400743 4C 3pz -0.301651 0.594901 0.241976 0.008798 0.228166 2.741524 4C 3px -1.517337 -0.577643 0.354790 -0.186696 1.020893 0.398248 4C 3py -0.705971 0.523232 0.497434 -0.421618 0.226988 1.690030 4C 1dz2 -0.004064 -0.002263 -0.009672 0.003489 -0.003430 0.008581 4C 1dxz -0.009869 -0.000072 -0.010190 0.002724 -0.004778 0.005369 4C 1dyz -0.002769 0.002690 0.011131 -0.000161 0.000406 0.017362 4C 1dx2y2 0.005641 -0.015140 0.013090 0.001883 0.019068 0.001146 4C 1dxy -0.005321 -0.004695 0.007525 0.003359 0.012239 0.006673 4C 2dz2 -0.181865 -0.104802 -0.182560 -0.027508 0.302679 -0.409102 4C 2dxz 0.475303 0.332368 -0.543212 0.065167 -0.719026 -0.717114 4C 2dyz 0.030246 -0.018609 0.010577 0.051370 0.082482 -0.091244 4C 2dx2y2 -0.041016 -0.153777 0.570993 0.027814 0.158648 0.931665 4C 2dxy 0.236120 0.100253 0.071991 0.089181 -0.307832 0.255403 4C 1f0 -0.010096 0.008195 -0.030105 -0.004827 -0.017506 -0.009442 4C 1f+1 -0.016642 0.027838 -0.051833 -0.005231 -0.040413 -0.029556 4C 1f-1 0.024901 -0.007169 0.015960 0.007874 0.003447 0.013189 4C 1f+2 0.033797 -0.019537 0.035886 0.010248 0.028616 0.032976 4C 1f-2 -0.018021 -0.011112 0.006318 0.003217 0.008676 -0.012054 4C 1f+3 0.023670 -0.006084 0.006606 0.009995 0.007967 0.018596 4C 1f-3 0.007395 0.039328 -0.046065 -0.003235 -0.043008 -0.010973 5C 1s 0.004438 -0.019203 0.031545 0.028116 0.005714 0.006386 5C 2s 0.014600 -0.059624 0.098714 0.087924 0.018218 0.019964 5C 3s -0.323097 0.742946 -1.177254 -1.029009 -0.217319 0.065260 5C 4s 1.031693 -2.136945 3.260202 2.808046 0.501662 -0.560961 5C 5s 1.628426 -1.290073 0.482594 0.769049 0.581358 -2.501166 5C 1pz 0.111621 -0.363394 -0.234633 0.113250 -0.123332 0.100462 5C 1px 0.008418 -0.000805 -0.119132 0.212626 -0.026765 -0.114192 5C 1py 0.053314 -0.236509 -0.173596 0.204173 -0.093690 0.054252 5C 2pz 0.026070 0.303878 0.616240 0.141678 0.202335 -0.544333 5C 2px 0.379386 -0.311420 0.807820 -0.275100 0.232284 0.072891 5C 2py -0.500628 0.769209 -0.336680 -0.771687 0.024166 0.577852 5C 3pz 0.744822 -0.165522 -0.611567 0.735319 -0.124219 -1.582036 5C 3px 0.716225 -0.509524 0.046900 -0.608676 0.403182 -0.523872 5C 3py -1.166873 0.008613 0.438080 -0.469971 -0.032732 2.696325 5C 1dz2 0.001257 0.002328 -0.012612 -0.001779 -0.006522 0.005515 5C 1dxz -0.005059 0.002002 -0.012151 -0.008568 -0.004131 -0.003897 5C 1dyz -0.012220 0.011525 -0.003287 -0.013326 0.000419 0.014549 5C 1dx2y2 0.005029 -0.012539 0.010365 0.009048 -0.005637 0.007425 5C 1dxy -0.007803 0.000231 0.000871 0.006027 -0.000005 0.007983 5C 2dz2 -0.234397 0.143209 -0.238670 -0.401560 -0.062138 0.533342 5C 2dxz -0.397206 0.281854 -0.228491 0.111933 -0.152776 0.429833 5C 2dyz -0.065420 0.152770 -0.075907 0.132508 -0.091946 -0.021195 5C 2dx2y2 0.586156 -0.314015 0.395509 0.624210 0.005854 -1.092811 5C 2dxy 0.048160 -0.238651 0.088807 -0.559833 0.180875 -0.078138 5C 1f0 -0.007423 0.017308 -0.034027 -0.032682 -0.006329 0.022389 5C 1f+1 -0.023571 0.025626 -0.051442 -0.028867 -0.013602 0.014119 5C 1f-1 -0.000156 0.002682 0.006639 -0.006086 0.003544 0.001532 5C 1f+2 -0.007345 0.008688 -0.014106 -0.010996 -0.008092 0.001832 5C 1f-2 0.010972 -0.012800 0.019207 0.029813 -0.001980 -0.020910 5C 1f+3 -0.017857 0.023138 -0.036306 -0.024547 -0.012175 0.020384 5C 1f-3 0.022028 -0.038388 0.046432 0.038184 0.007183 -0.013427 6C 1s 0.004828 -0.019094 0.032421 -0.027328 -0.006281 0.005975 6C 2s 0.015803 -0.059310 0.101438 -0.085481 -0.019942 0.018609 6C 3s -0.336561 0.740616 -1.209334 0.991572 0.226465 0.084184 6C 4s 1.070508 -2.128901 3.351436 -2.695314 -0.515343 -0.613695 6C 5s 1.640979 -1.301276 0.495555 -0.659386 -0.516272 -2.514171 6C 1pz -0.119979 0.359010 0.232506 0.121551 -0.118249 -0.114312 6C 1px -0.002525 0.005992 0.112024 0.215480 -0.036009 0.120459 6C 1py -0.056158 0.235453 0.167850 0.210483 -0.092210 -0.059316 6C 2pz -0.010332 -0.292476 -0.624992 0.110424 0.178872 0.575997 6C 2px -0.403853 0.297757 -0.797563 -0.303222 0.256740 -0.080904 6C 2py 0.506752 -0.771784 0.362196 -0.744653 0.044827 -0.587431 6C 3pz -0.749729 0.162302 0.586491 0.719737 -0.200299 1.611415 6C 3px -0.744035 0.493580 -0.027247 -0.637052 0.399566 0.505486 6C 3py 1.155792 -0.013894 -0.422071 -0.415693 0.079431 -2.736071 6C 1dz2 0.001207 0.002279 -0.012829 0.001135 0.006676 0.006083 6C 1dxz -0.005003 0.002079 -0.012499 0.008399 0.004210 -0.003642 6C 1dyz -0.012273 0.011631 -0.003606 0.012655 -0.000933 0.014598 6C 1dx2y2 0.005451 -0.012371 0.010718 -0.008977 0.005382 0.007728 6C 1dxy -0.007987 0.000189 0.001159 -0.006220 -0.000318 0.007891 6C 2dz2 -0.229656 0.150068 -0.252580 0.380864 0.043807 0.553882 6C 2dxz -0.406600 0.277040 -0.224214 -0.133989 0.139157 0.426305 6C 2dyz -0.074339 0.146153 -0.068470 -0.138000 0.096901 -0.030560 6C 2dx2y2 0.576510 -0.327942 0.417063 -0.584359 0.034970 -1.121226 6C 2dxy 0.063822 -0.224188 0.068963 0.572879 -0.186152 -0.056522 6C 1f0 0.007449 -0.017422 0.035070 -0.031113 -0.005670 -0.023520 6C 1f+1 0.024155 -0.025614 0.052239 -0.026896 -0.013606 -0.014778 6C 1f-1 -0.000077 -0.002928 -0.006414 -0.006323 0.003788 -0.001631 6C 1f+2 0.007430 -0.008959 0.014422 -0.010557 -0.008138 -0.002451 6C 1f-2 -0.010833 0.013155 -0.020288 0.028814 -0.003000 0.021711 6C 1f+3 0.018200 -0.023182 0.037101 -0.022812 -0.012071 -0.021226 6C 1f-3 -0.022801 0.038114 -0.047632 0.036283 0.007222 0.013837 7C 1s 0.016388 -0.020621 0.028498 -0.005789 -0.029725 -0.005662 7C 2s 0.052123 -0.064094 0.089235 -0.018253 -0.091676 -0.017356 7C 3s -0.535113 0.725892 -1.128244 0.185313 1.079388 -0.096567 7C 4s 1.313014 -1.966690 3.271113 -0.374837 -3.237214 0.558388 7C 5s -1.495243 -0.302836 1.495000 -0.684941 -0.681488 2.514036 7C 1pz 0.121645 0.247129 0.152970 0.107685 0.120475 -0.040363 7C 1px -0.341948 0.010925 0.157259 0.050080 -0.116352 -0.152771 7C 1py -0.028313 -0.387436 -0.256477 -0.186053 -0.212526 0.051446 7C 2pz -0.622307 -0.107622 -0.959256 -0.119259 0.198734 -0.794167 7C 2px 1.435121 0.249245 -0.346358 -0.205039 0.363238 0.750181 7C 2py 0.128077 0.826183 -0.115908 0.294591 0.629457 -0.378619 7C 3pz 0.264509 -0.624381 -0.246417 0.083398 0.294115 -2.681560 7C 3px 1.505630 0.566885 -0.343730 -0.199469 1.073036 -0.385175 7C 3py 0.682595 -0.549940 -0.494602 -0.385497 0.274511 -1.676653 7C 1dz2 -0.004226 -0.002479 -0.009798 -0.003907 0.002978 0.008587 7C 1dxz -0.010248 -0.000347 -0.010140 -0.003025 0.004460 0.005480 7C 1dyz -0.002421 0.002949 0.011171 -0.000048 -0.000952 0.017621 7C 1dx2y2 0.006165 -0.014653 0.012994 -0.001364 -0.019327 -0.000003 7C 1dxy -0.005167 -0.004513 0.007536 -0.003228 -0.012445 0.006185 7C 2dz2 -0.184126 -0.106790 -0.187165 0.035993 -0.294359 -0.410459 7C 2dxz 0.456655 0.312504 -0.533361 -0.065995 0.746645 -0.711200 7C 2dyz 0.033322 -0.017279 0.013463 -0.048512 -0.081843 -0.095199 7C 2dx2y2 -0.026036 -0.137149 0.572204 -0.034631 -0.187923 0.924526 7C 2dxy 0.240018 0.101650 0.077827 -0.097260 0.307565 0.249700 7C 1f0 0.011109 -0.007246 0.030561 -0.004252 -0.017863 0.008664 7C 1f+1 0.018493 -0.025977 0.052031 -0.004233 -0.041238 0.027604 7C 1f-1 -0.025514 0.006526 -0.016144 0.007736 0.003230 -0.013133 7C 1f+2 -0.035273 0.017925 -0.036127 0.010118 0.028943 -0.031285 7C 1f-2 0.017967 0.010798 -0.006134 0.002428 0.008816 0.012117 7C 1f+3 -0.024117 0.005760 -0.006863 0.010353 0.007979 -0.017857 7C 1f-3 -0.005717 -0.037617 0.046269 -0.001745 -0.044121 0.009221 8C 1s 0.009881 -0.019004 0.026984 -0.017239 -0.002635 -0.017508 8C 2s 0.031109 -0.059610 0.086024 -0.055089 -0.008622 -0.054363 8C 3s -0.346046 0.582044 -0.814307 0.464013 0.058917 0.654675 8C 4s 1.122307 -1.448661 1.907228 -0.897447 -0.122900 -2.202638 8C 5s -0.209212 1.839360 -3.183292 1.076188 0.648997 -0.487170 8C 1pz -0.106683 0.173360 0.094090 0.033744 -0.109943 0.011626 8C 1px -0.004477 0.019451 0.023404 0.193849 -0.050606 0.036062 8C 1py -0.055833 0.070937 0.096040 0.144188 -0.046700 -0.016290 8C 2pz 0.114147 -0.446546 -0.300524 -0.254999 0.340610 0.323780 8C 2px 0.007221 -0.111915 -0.034947 -0.367747 0.060147 0.112410 8C 2py 0.335573 -0.232157 -0.307226 -0.192376 0.152203 -0.291668 8C 3pz -0.320966 0.244655 0.026305 0.000659 -0.141573 0.480210 8C 3px 0.124538 -0.100215 0.086333 0.299569 -0.113115 0.050617 8C 3py 0.137994 0.091691 0.003329 0.043879 0.008135 -0.350512 8C 1dz2 -0.006837 0.009672 0.004124 -0.002116 -0.001724 0.001190 8C 1dxz -0.001634 0.002252 -0.003519 0.011382 -0.001979 0.007496 8C 1dyz 0.002312 -0.003787 0.008558 0.006602 -0.003049 0.003464 8C 1dx2y2 0.003081 -0.009577 0.008496 0.010259 -0.003376 0.007889 8C 1dxy 0.000719 -0.001162 -0.000894 -0.027454 0.006655 -0.013199 8C 2dz2 -0.000460 -0.029373 0.025332 0.123526 -0.020356 -0.009133 8C 2dxz 0.157748 -0.095175 -0.087422 -0.381701 0.110440 -0.220751 8C 2dyz -0.068867 0.206603 0.119324 -0.116799 -0.074115 -0.169033 8C 2dx2y2 0.006803 -0.167399 -0.213107 -0.228622 0.198653 0.103785 8C 2dxy 0.006160 -0.142528 -0.095718 0.179952 0.048128 0.226907 8C 1f0 -0.006192 0.023672 -0.011133 0.026419 -0.004517 -0.015862 8C 1f+1 0.004805 0.010394 0.000120 -0.010929 -0.000993 -0.019712 8C 1f-1 0.001557 -0.003841 -0.028535 -0.002570 0.009039 0.019816 8C 1f+2 0.015304 -0.018837 0.014322 0.006842 0.004431 -0.036788 8C 1f-2 0.004461 -0.011924 0.003396 -0.003465 0.006651 -0.022401 8C 1f+3 -0.006098 -0.000316 0.018249 0.006134 -0.012428 0.003744 8C 1f-3 -0.012504 0.007393 -0.011352 0.029610 0.001655 0.020552 9C 1s 0.004384 -0.015303 0.026324 -0.000932 -0.033109 0.012517 9C 2s 0.015979 -0.048492 0.083261 -0.002848 -0.103506 0.039122 9C 3s -0.068533 0.451482 -0.817468 -0.012367 1.018339 -0.479605 9C 4s -0.234686 -1.026863 2.073838 0.131763 -2.462264 1.719704 9C 5s 0.084890 2.335100 -2.424093 0.526234 2.989450 0.990573 9C 1pz 0.139261 0.153167 0.041829 0.007411 0.200624 -0.010683 9C 1px -0.218752 -0.002495 0.076565 0.017325 -0.115314 0.035241 9C 1py -0.022951 -0.175444 -0.154192 -0.096749 -0.031025 0.022616 9C 2pz -0.161554 -0.469491 -0.224061 -0.127282 -0.599382 -0.382250 9C 2px 0.399607 -0.110058 -0.110058 -0.021450 0.060864 -0.037249 9C 2py 0.136418 0.451101 0.406334 0.200145 -0.036148 -0.385052 9C 3pz 0.093420 0.034129 -0.065248 -0.166874 0.282508 -0.514311 9C 3px -0.420435 -0.120114 0.269485 -0.021546 -0.203384 0.343043 9C 3py -0.075553 -0.217037 -0.174358 -0.088982 0.068184 -0.289578 9C 1dz2 0.016509 0.015057 -0.007141 0.003674 0.023480 0.005700 9C 1dxz -0.024445 -0.008902 -0.000836 0.004707 -0.015193 -0.006193 9C 1dyz -0.004681 0.000669 -0.009089 -0.004578 0.005338 0.000463 9C 1dx2y2 -0.008468 -0.004028 0.008420 0.001390 -0.006565 0.002169 9C 1dxy -0.021536 -0.001127 0.008765 0.002838 -0.012617 -0.002665 9C 2dz2 -0.123688 -0.193870 -0.022775 -0.033995 -0.075614 0.105115 9C 2dxz 0.401274 -0.051932 -0.206497 -0.090823 0.304052 0.212623 9C 2dyz -0.094347 0.015879 0.067848 -0.002430 0.067939 0.018594 9C 2dx2y2 -0.181525 -0.214813 -0.152091 -0.049558 -0.213520 -0.152093 9C 2dxy 0.283227 0.333012 0.103815 0.062836 0.326788 -0.038597 9C 1f0 0.027964 0.029499 0.008634 0.007840 0.035442 -0.002029 9C 1f+1 -0.003921 -0.011535 0.004852 -0.003140 -0.011585 0.011702 9C 1f-1 0.015539 -0.012570 0.004480 -0.009824 -0.004367 -0.023432 9C 1f+2 -0.024931 -0.002136 0.017317 0.009005 -0.032669 0.003611 9C 1f-2 0.001814 0.011127 -0.009796 -0.002199 0.025234 -0.019959 9C 1f+3 -0.006488 -0.009067 0.036395 0.003249 -0.041938 0.004566 9C 1f-3 0.017510 -0.004914 0.004799 -0.001663 -0.001460 0.023784 10H 1s -0.012788 0.003863 -0.012660 0.005316 0.001673 -0.025111 10H 2s 0.600988 0.235246 -0.277504 0.039268 -0.767249 0.103152 10H 3s -0.316690 -0.507496 0.792394 0.049846 0.946194 0.433497 10H 1pz 0.070340 0.041733 -0.046283 0.008663 -0.106650 0.020725 10H 1px -0.095782 -0.041006 0.054715 -0.003691 0.123866 0.035492 10H 1py 0.099754 0.039936 -0.039784 0.016257 -0.099602 0.041301 11H 1s -0.032919 0.005749 0.003772 -0.012395 0.010823 0.021080 11H 2s -0.106301 0.595563 0.169401 -0.112565 -0.435908 -0.438490 11H 3s 0.075421 -0.724823 0.246737 0.109167 0.828303 0.058621 11H 1pz 0.043330 0.092419 -0.002363 -0.010692 -0.120058 -0.064030 11H 1px -0.065542 0.046013 -0.002219 -0.019105 -0.026198 -0.036342 11H 1py -0.019191 -0.060196 -0.002882 0.021268 0.050949 -0.002192 12H 1s -0.028781 -0.002361 0.003186 -0.001678 0.019448 0.007325 12H 2s -0.355183 -0.486963 -0.561410 0.224676 0.007006 -0.153501 12H 3s 0.132570 -0.132471 0.729926 -0.042240 0.613868 0.010369 12H 1pz 0.026622 0.014227 0.015567 -0.006460 -0.020239 0.001333 12H 1px 0.024488 0.020478 -0.047374 0.008681 -0.063649 0.052890 12H 1py -0.077139 -0.065475 -0.107369 0.035185 -0.010953 -0.058128 13H 1s -0.014944 0.004017 -0.009991 0.002487 -0.008366 0.007511 13H 2s 0.014435 0.340500 -0.082927 0.265791 0.137655 -0.107233 13H 3s 0.351394 -0.596170 0.639946 0.179393 0.034658 -0.368444 13H 1pz -0.029478 0.075954 -0.050423 0.083959 -0.007720 -0.025380 13H 1px 0.010956 -0.022187 0.011723 0.014344 -0.020389 -0.053579 13H 1py -0.008324 -0.033169 0.019575 -0.003738 -0.008272 0.012121 14H 1s 0.007153 0.000387 -0.007751 -0.021497 -0.002896 0.000808 14H 2s -0.312784 0.489861 0.128325 -0.625802 0.309174 0.293261 14H 3s 0.242049 -0.605230 0.492021 0.581305 -0.056382 -0.245378 14H 1pz -0.047161 0.035807 0.020475 -0.134007 0.055273 0.115590 14H 1px -0.041439 0.089124 -0.028217 -0.071327 0.022264 0.000403 14H 1py -0.015907 0.003123 0.003927 -0.033158 0.002713 0.026834 15H 1s 0.010465 -0.005688 -0.007018 -0.017012 -0.000747 -0.034943 15H 2s 0.058753 -0.300582 -0.607627 0.082219 -0.310837 0.531048 15H 3s -0.026127 -0.027989 0.812038 0.187574 0.276151 -0.115636 15H 1pz -0.023849 0.009010 0.065376 0.006543 0.031405 -0.013503 15H 1px 0.006086 -0.014295 -0.004915 -0.080176 0.018029 0.058942 15H 1py 0.004844 0.017461 0.103714 -0.031715 0.042747 -0.082630 16H 1s 0.009731 -0.010234 -0.000305 -0.005149 -0.004392 -0.062691 16H 2s 0.123577 0.052833 0.019690 -0.034410 0.127255 0.354441 16H 3s 0.101037 0.024397 -0.105800 -0.159822 0.018904 -0.137002 16H 1pz -0.022828 -0.011119 0.001825 0.002146 0.006108 0.044753 16H 1px 0.079824 0.012522 0.026434 0.015811 0.113712 -0.003138 16H 1py 0.003209 0.037047 0.018964 0.036676 0.040333 0.044987 17H 1s 0.009071 0.012244 -0.001947 0.016069 -0.011917 0.060443 17H 2s 0.053611 -0.122196 0.011779 -0.245004 0.052545 -0.261686 17H 3s -0.038181 0.048498 -0.022783 -0.040211 0.133063 0.174940 17H 1pz -0.025767 0.011885 -0.011301 0.089115 -0.000630 -0.003736 17H 1px 0.013191 -0.022974 0.011697 -0.078001 -0.026819 0.054671 17H 1py -0.027810 -0.036092 0.006993 -0.050293 -0.025524 -0.073953 18H 1s 0.009756 0.012603 -0.001580 -0.016883 0.011958 0.058612 18H 2s 0.050047 -0.120895 0.005013 0.254168 -0.050054 -0.246743 18H 3s -0.035902 0.050155 -0.026396 0.037895 -0.137423 0.173029 18H 1pz 0.021223 -0.014115 0.009281 0.090812 -0.000692 0.005115 18H 1px -0.011063 0.023916 -0.009115 -0.078378 -0.026202 -0.056077 18H 1py 0.027668 0.036478 -0.005049 -0.050237 -0.026690 0.071383 19H 1s 0.011879 -0.008315 -0.001162 0.007160 0.005594 -0.063785 19H 2s 0.116575 0.047211 0.020653 0.031125 -0.129194 0.360048 19H 3s 0.106708 0.031541 -0.111071 0.161012 -0.012652 -0.128344 19H 1pz 0.024038 0.012747 -0.001863 0.002681 0.006919 -0.045666 19H 1px -0.087259 -0.016904 -0.025737 0.013492 0.110929 0.005774 19H 1py -0.003512 -0.035416 -0.020334 0.037044 0.041420 -0.042160 20H 1s 0.010474 -0.005468 -0.007506 0.018073 0.001664 -0.034753 20H 2s 0.064319 -0.303381 -0.610230 -0.110983 0.297966 0.567075 20H 3s -0.017270 -0.023766 0.822077 -0.160642 -0.283411 -0.137767 20H 1pz 0.024105 -0.009471 -0.066210 0.003728 0.032519 0.016973 20H 1px -0.007938 0.012414 0.008481 -0.078081 0.020631 -0.061042 20H 1py -0.004780 -0.018050 -0.103403 -0.036862 0.041664 0.086198 21H 1s 0.007692 0.000662 -0.008400 0.021462 0.002860 0.001543 21H 2s -0.312459 0.500818 0.109194 0.624033 -0.325912 0.286879 21H 3s 0.246200 -0.607668 0.508738 -0.556742 0.056957 -0.237454 21H 1pz 0.046071 -0.039411 -0.015510 -0.131805 0.061143 -0.117340 21H 1px 0.042097 -0.089346 0.030488 -0.069740 0.021669 0.002261 21H 1py 0.015254 -0.004296 -0.003114 -0.032820 0.004643 -0.026492 22H 1s -0.015190 0.003801 -0.009823 -0.002979 0.007695 0.008139 22H 2s 0.000212 0.326472 -0.079134 -0.272978 -0.117202 -0.131070 22H 3s 0.364640 -0.592773 0.649914 -0.142413 -0.038204 -0.367379 22H 1pz 0.032893 -0.072457 0.047762 0.085825 -0.011752 0.031138 22H 1px -0.012144 0.022106 -0.013142 0.011418 -0.021094 0.054043 22H 1py 0.006333 0.032017 -0.020002 -0.005674 -0.006095 -0.014022 23H 1s -0.029247 -0.002608 0.003468 0.001787 -0.020313 0.007128 23H 2s -0.355515 -0.501483 -0.573939 -0.230564 -0.017080 -0.142430 23H 3s 0.144062 -0.109186 0.735802 0.066856 -0.614649 -0.032632 23H 1pz -0.027106 -0.014513 -0.016427 -0.006078 -0.020636 -0.000814 23H 1px -0.021624 -0.019144 0.045571 0.010544 -0.060409 -0.053382 23H 1py 0.074895 0.067038 0.110621 0.036423 -0.012545 0.051839 24H 1s -0.033480 0.005261 0.003334 0.011756 -0.012173 0.019570 24H 2s -0.117078 0.590034 0.174593 0.121798 0.452374 -0.404044 24H 3s 0.088312 -0.708312 0.250600 -0.092227 -0.840630 0.017580 24H 1pz -0.039698 -0.089731 0.001626 -0.011056 -0.121928 0.057678 24H 1px 0.062263 -0.048523 0.003098 -0.019618 -0.030926 0.030563 24H 1py 0.017115 0.058583 0.004063 0.020239 0.050014 0.001886 25H 1s -0.013655 0.002898 -0.012322 -0.005023 -0.001567 -0.026274 25H 2s 0.601769 0.238199 -0.271654 -0.056992 0.780555 0.136914 25H 3s -0.305802 -0.492680 0.793578 -0.028185 -0.973433 0.393411 25H 1pz -0.073704 -0.042926 0.046321 0.011924 -0.111073 -0.025629 25H 1px 0.094534 0.039436 -0.054198 -0.005668 0.126885 -0.030162 25H 1py -0.094608 -0.037590 0.037700 0.018319 -0.097110 -0.043767 26O 1s 0.003444 0.001641 -0.001039 -0.003743 -0.011703 -0.000416 26O 2s 0.008425 0.006021 -0.004687 -0.010907 -0.029078 -0.002016 26O 3s -0.011602 -0.058909 0.072631 0.049758 0.057449 0.035034 26O 4s -0.264984 0.118857 -0.248811 -0.087773 0.447003 -0.250130 26O 5s 1.748109 0.706626 -1.807462 -0.075471 -2.096420 -1.547863 26O 1pz -0.007611 -0.014369 -0.003246 0.032426 0.037124 0.050783 26O 1px 0.037152 0.045990 -0.035205 -0.009970 -0.057007 0.062467 26O 1py 0.030597 0.042321 0.019324 -0.000094 -0.023545 0.043284 26O 2pz -0.001830 -0.027802 0.035343 0.024620 0.096055 0.150021 26O 2px 0.051916 -0.117356 0.270729 0.099782 0.042109 0.201198 26O 2py 0.026336 0.015745 0.174334 0.022438 0.038810 0.151146 26O 3pz -0.855107 -0.366503 0.350421 -0.104581 0.413571 0.001171 26O 3px -1.060833 -0.612035 0.840717 -0.191859 1.135286 0.298774 26O 3py -0.934353 -0.623102 0.492003 -0.131703 0.747819 0.186348 26O 1dz2 -0.000868 -0.002017 -0.001090 -0.000904 -0.000540 -0.003410 26O 1dxz -0.008597 -0.004530 0.001610 -0.001304 0.004560 0.002981 26O 1dyz -0.005495 -0.003435 0.002283 -0.002344 0.001136 -0.002319 26O 1dx2y2 0.001162 -0.000923 -0.003034 0.001037 0.001095 0.001105 26O 1dxy -0.005146 0.000462 0.004605 -0.003886 0.001159 0.001452 26O 2dz2 -0.004063 -0.086103 0.121540 -0.014458 0.129694 -0.014230 26O 2dxz -0.042239 0.020296 -0.055506 0.023374 -0.085389 -0.045275 26O 2dyz 0.019228 -0.013261 0.002087 -0.024243 0.112647 -0.008039 26O 2dx2y2 0.137820 0.043861 -0.056437 -0.007813 -0.046753 0.039994 26O 2dxy 0.103330 0.069142 -0.053778 0.015301 -0.082936 -0.023434 26O 1f0 0.002969 0.004654 -0.001231 -0.000455 -0.003960 -0.002341 26O 1f+1 0.005814 0.008634 -0.011139 -0.000210 -0.011511 0.002049 26O 1f-1 0.003228 0.002669 -0.007277 0.000896 -0.003498 0.001847 26O 1f+2 -0.003530 -0.008027 0.003490 0.001851 0.006496 0.003780 26O 1f-2 -0.001766 -0.002108 -0.000983 0.002674 0.001810 0.001399 26O 1f+3 0.001387 0.010217 0.001862 -0.002863 -0.006765 0.001058 26O 1f-3 0.008472 0.007921 -0.014205 -0.001242 -0.012917 0.002829 27O 1s 0.002389 0.000225 0.001720 0.007301 0.000630 -0.003199 27O 2s 0.004718 0.002271 0.001005 0.016272 0.002226 -0.006613 27O 3s 0.038934 -0.056613 0.093355 0.040782 -0.010468 -0.042784 27O 4s -0.342413 0.246544 -0.519156 -0.615764 0.068614 0.531888 27O 5s -1.511590 1.138272 -1.134847 -0.909428 -0.666778 1.763141 27O 1pz 0.022104 -0.017877 -0.019791 -0.025371 -0.011708 0.021993 27O 1px 0.025291 0.019444 -0.038208 0.028830 -0.009866 -0.093180 27O 1py 0.017391 -0.009049 0.006892 0.056799 0.011081 0.037596 27O 2pz 0.023242 -0.029798 -0.059584 -0.036107 -0.009998 -0.038017 27O 2px 0.318922 -0.224974 0.386898 0.508251 -0.006007 -0.452243 27O 2py -0.093909 0.024975 -0.105664 -0.028831 -0.012571 0.202983 27O 3pz 0.138891 -0.147410 0.172959 -0.424939 0.121988 0.102523 27O 3px 0.625488 -0.844645 0.823089 -0.301247 0.542553 -0.238830 27O 3py -0.221580 0.572983 -0.335455 0.610538 -0.234732 -0.112418 27O 1dz2 -0.000406 0.001150 -0.001429 0.000126 -0.002823 0.001592 27O 1dxz 0.003792 -0.003898 -0.000905 -0.001836 0.000668 0.001878 27O 1dyz 0.000015 0.000284 -0.000004 -0.001536 -0.000811 -0.005628 27O 1dx2y2 0.004467 -0.002068 0.000157 0.002369 -0.001577 -0.005024 27O 1dxy -0.001556 0.000907 -0.003727 0.006324 -0.003316 0.001042 27O 2dz2 -0.041427 -0.053466 0.049161 -0.009646 0.039545 -0.102177 27O 2dxz -0.001029 -0.019997 -0.003349 0.001354 -0.052572 0.026485 27O 2dyz 0.020424 0.052120 -0.052708 -0.062820 -0.079291 0.025172 27O 2dx2y2 -0.125110 0.089664 -0.168165 -0.047505 -0.029523 0.003905 27O 2dxy 0.048767 -0.053360 0.081009 0.035067 0.023687 -0.024599 27O 1f0 -0.001611 0.003580 0.004501 0.001169 0.002085 0.000794 27O 1f+1 -0.005486 0.008528 -0.010394 -0.004688 -0.000823 -0.000699 27O 1f-1 0.002422 0.000341 0.002483 -0.000496 -0.000249 0.001275 27O 1f+2 0.000635 -0.004709 -0.004512 0.002360 -0.001778 0.001630 27O 1f-2 0.001584 -0.000157 0.005799 -0.000649 0.004011 0.000087 27O 1f+3 -0.005041 0.012492 -0.012198 -0.009287 -0.001701 -0.002800 27O 1f-3 0.002897 -0.003434 0.012061 0.000528 0.003890 -0.002336 28O 1s -0.004294 -0.003744 0.004217 0.002762 0.005221 0.001296 28O 2s -0.013372 -0.008161 0.008025 0.007985 0.011509 0.000779 28O 3s 0.081880 -0.027341 0.069595 -0.029159 0.041107 0.082936 28O 4s -0.011771 0.381246 -0.603361 0.051017 -0.511586 -0.537869 28O 5s -0.746483 -0.076849 -1.184282 -0.379475 -0.883889 -2.744730 28O 1pz -0.073521 -0.005094 0.001923 -0.024786 -0.011490 0.037137 28O 1px 0.092201 0.008927 -0.005246 0.000153 -0.044887 -0.033548 28O 1py -0.022235 0.017433 -0.007203 -0.030497 -0.023906 0.002885 28O 2pz -0.016592 -0.160332 0.281118 -0.028026 0.292025 0.400558 28O 2px -0.028270 0.182786 -0.347866 0.013779 -0.401002 -0.369438 28O 2py -0.033252 0.003122 0.062566 -0.034160 0.014655 0.092748 28O 3pz 1.373448 0.252226 0.494623 0.369329 -0.718883 1.007141 28O 3px -0.608192 0.006068 -0.514945 -0.244480 -0.156500 -0.671717 28O 3py 0.573291 0.228319 0.138495 0.109457 -0.482682 0.294516 28O 1dz2 0.007231 0.001080 -0.000972 0.001877 -0.004715 0.004075 28O 1dxz -0.001066 -0.000028 -0.002300 -0.001101 0.000088 -0.007253 28O 1dyz 0.005712 0.003563 -0.000509 0.002081 -0.002963 -0.000834 28O 1dx2y2 -0.003024 -0.001210 0.002245 -0.001483 0.003833 0.000389 28O 1dxy -0.000857 -0.003412 -0.002046 0.001718 0.003792 -0.003537 28O 2dz2 -0.009628 0.022995 -0.042798 -0.029564 0.019809 -0.003358 28O 2dxz 0.133134 -0.046558 0.106477 0.057868 0.089546 0.171677 28O 2dyz -0.012935 -0.040265 0.048910 0.055516 0.066777 -0.036637 28O 2dx2y2 -0.125754 -0.013601 -0.069188 0.049407 -0.001413 -0.109690 28O 2dxy 0.032404 -0.052056 0.088561 0.045361 0.041347 -0.010427 28O 1f0 -0.007293 0.001755 -0.006749 -0.000652 -0.003552 -0.004925 28O 1f+1 -0.011486 0.006435 -0.003449 -0.002740 -0.004512 -0.008620 28O 1f-1 -0.002236 0.001546 -0.000558 -0.002364 -0.001254 0.000148 28O 1f+2 0.016966 -0.003349 0.010704 0.002890 0.008655 0.008059 28O 1f-2 -0.003433 -0.004584 -0.004859 0.002932 0.000464 -0.000920 28O 1f+3 0.006494 -0.001613 0.005158 -0.000301 0.004400 0.003539 28O 1f-3 -0.004414 -0.003412 -0.006610 -0.000381 0.002515 -0.002102 29O 1s -0.002542 0.002868 -0.003847 -0.003083 0.003878 -0.000799 29O 2s -0.006076 0.008386 -0.011411 -0.007322 0.009250 -0.001856 29O 3s -0.002602 -0.032564 0.046741 0.002117 -0.002357 -0.001697 29O 4s 0.161908 -0.002111 -0.018050 0.131130 -0.189047 0.056660 29O 5s -0.372719 -0.004262 0.079782 -0.258600 0.447662 -0.157474 29O 1pz 0.022404 -0.008669 0.014654 -0.012290 -0.012406 -0.010338 29O 1px -0.016041 0.031891 -0.051371 -0.008050 -0.002339 -0.006206 29O 1py 0.025011 0.005207 -0.000071 0.024708 -0.023142 0.018787 29O 2pz -0.022760 0.008034 0.008862 0.030878 -0.016972 0.144386 29O 2px -0.011671 0.020387 -0.017620 -0.006724 0.015289 0.052536 29O 2py -0.027098 -0.003186 0.002268 0.007774 -0.004248 -0.021546 29O 3pz 0.148271 0.136317 -0.025266 -0.018539 0.225333 0.042742 29O 3px 0.040775 -0.004800 0.074052 0.357601 -0.277967 -0.002650 29O 3py 0.156373 -0.046041 -0.007220 -0.207819 0.121592 0.060992 29O 1dz2 -0.000574 0.000843 0.000031 0.003616 0.000721 -0.000192 29O 1dxz -0.002269 -0.000862 -0.000786 -0.001429 -0.004990 -0.001316 29O 1dyz -0.000216 -0.000667 -0.000170 -0.001693 -0.000541 0.000715 29O 1dx2y2 0.000787 -0.000542 0.000652 -0.003086 -0.000033 -0.000113 29O 1dxy -0.000893 -0.000051 0.000296 0.001976 -0.001427 -0.000086 29O 2dz2 -0.025698 -0.011337 0.032285 0.066209 0.005190 -0.079216 29O 2dxz 0.027118 0.005134 -0.029797 0.003799 -0.119115 0.041595 29O 2dyz 0.012742 -0.050849 -0.011538 -0.094621 -0.029588 -0.171600 29O 2dx2y2 -0.001302 -0.006451 0.007965 -0.055220 0.012254 -0.012328 29O 2dxy -0.015751 0.004087 -0.034009 0.010721 -0.044112 -0.054724 29O 1f0 -0.000842 -0.000384 0.001045 -0.000823 0.001809 0.000615 29O 1f+1 0.000749 0.000895 -0.000742 0.001595 0.000076 0.001672 29O 1f-1 -0.001518 0.001272 -0.000358 0.001405 0.000655 0.005559 29O 1f+2 0.000043 0.000058 -0.001287 -0.000279 -0.001716 -0.003118 29O 1f-2 -0.000960 -0.001285 0.000035 -0.003312 0.000825 -0.007677 29O 1f+3 -0.000256 0.000851 -0.001244 0.001575 -0.000189 0.002425 29O 1f-3 0.001258 0.000717 -0.000303 -0.000024 0.000698 0.004132 30O 1s -0.000345 -0.001912 0.001602 -0.012061 -0.000915 0.002191 30O 2s -0.001741 -0.003588 0.001596 -0.030785 -0.003965 0.007146 30O 3s 0.032153 -0.037435 0.064381 0.076985 0.044566 -0.062843 30O 4s -0.160546 0.316534 -0.412850 0.342234 -0.224318 0.195926 30O 5s -1.192173 0.826734 -0.228629 -2.002572 -0.024693 2.395321 30O 1pz 0.002677 -0.016685 -0.016303 -0.013720 0.020381 -0.039220 30O 1px -0.000809 0.007290 0.020744 0.080924 0.017285 -0.009444 30O 1py -0.044873 0.002138 -0.006831 -0.001699 -0.010169 0.037107 30O 2pz 0.120968 -0.164631 0.105890 0.073184 0.083859 -0.157739 30O 2px -0.105860 0.187676 -0.169950 0.012732 -0.103481 0.120651 30O 2py -0.144765 0.130625 -0.146318 -0.090981 -0.092076 0.214482 30O 3pz 0.115914 -0.185579 0.168916 0.875205 -0.223250 -0.761589 30O 3px -0.248808 0.199061 -0.231047 -0.657056 0.091462 0.511161 30O 3py -0.276330 0.094226 -0.183349 -1.054593 0.311550 0.978482 30O 1dz2 -0.001105 -0.002536 -0.001738 0.002326 -0.000948 -0.002656 30O 1dxz -0.000841 0.002631 0.001562 -0.001975 -0.000476 0.001431 30O 1dyz -0.000724 -0.000409 0.000376 -0.001509 0.003729 0.004968 30O 1dx2y2 -0.002592 -0.002154 -0.000093 -0.003208 0.000984 0.004976 30O 1dxy 0.002435 0.000167 0.000648 0.001946 -0.000699 -0.005462 30O 2dz2 0.025297 0.015756 -0.048947 -0.061790 0.006494 0.020723 30O 2dxz 0.064805 -0.044287 0.050930 0.110329 0.004376 -0.010820 30O 2dyz -0.010948 -0.010035 -0.011775 -0.017140 0.009517 -0.119115 30O 2dx2y2 0.037273 -0.018146 0.037768 0.028835 -0.008200 0.078948 30O 2dxy -0.002387 0.064753 -0.088770 -0.159431 0.038898 0.088136 30O 1f0 0.000052 0.002112 -0.003495 -0.007047 -0.001506 0.002132 30O 1f+1 -0.003283 0.007303 0.001716 -0.007712 0.002928 0.002080 30O 1f-1 -0.003030 0.001955 0.002634 -0.001652 -0.000439 -0.000513 30O 1f+2 0.001697 -0.004865 0.002447 0.005396 -0.001838 -0.000375 30O 1f-2 0.002877 -0.006452 0.006789 0.013429 0.000805 -0.006161 30O 1f+3 -0.002285 -0.000566 -0.005825 -0.005088 -0.001701 0.005208 30O 1f-3 0.002334 -0.002564 0.009018 0.010179 0.001482 -0.005065 31O 1s -0.000031 -0.001716 0.001243 0.012149 0.000764 0.002712 31O 2s -0.000925 -0.003078 0.000691 0.030895 0.003523 0.008494 31O 3s 0.030720 -0.038434 0.066515 -0.073659 -0.042102 -0.066080 31O 4s -0.171895 0.309262 -0.401426 -0.365990 0.222195 0.181610 31O 5s -1.183104 0.840643 -0.289101 1.935742 -0.070710 2.463963 31O 1pz -0.002597 0.016323 0.016694 -0.014746 0.020249 0.040088 31O 1px 0.002859 -0.005296 -0.023455 0.080619 0.016189 0.013421 31O 1py 0.043733 -0.002811 0.006663 -0.000218 -0.008904 -0.037795 31O 2pz -0.124446 0.162120 -0.108008 0.063939 0.080008 0.159019 31O 2px 0.112378 -0.183057 0.168414 0.023550 -0.101215 -0.117026 31O 2py 0.146459 -0.129869 0.148417 -0.079015 -0.085590 -0.217373 31O 3pz -0.095863 0.207425 -0.200068 0.852746 -0.258400 0.790732 31O 3px 0.241709 -0.210574 0.255257 -0.639582 0.113063 -0.534933 31O 3py 0.249052 -0.121106 0.225140 -1.030334 0.360711 -1.018918 31O 1dz2 -0.001135 -0.002546 -0.001656 -0.002283 0.000977 -0.002662 31O 1dxz -0.000890 0.002583 0.001480 0.001931 0.000451 0.001481 31O 1dyz -0.000625 -0.000305 0.000291 0.001470 -0.004007 0.005038 31O 1dx2y2 -0.002460 -0.002038 -0.000217 0.003179 -0.001341 0.005219 31O 1dxy 0.002317 0.000095 0.000742 -0.001758 0.000929 -0.005566 31O 2dz2 0.024331 0.015598 -0.050338 0.059645 -0.005409 0.021390 31O 2dxz 0.065134 -0.044704 0.054857 -0.108872 -0.001588 -0.013786 31O 2dyz -0.013588 -0.011639 -0.012466 0.020036 -0.005680 -0.119732 31O 2dx2y2 0.038911 -0.016643 0.038490 -0.029814 0.005398 0.078873 31O 2dxy -0.001826 0.065504 -0.094732 0.154436 -0.040376 0.091225 31O 1f0 -0.000093 -0.002140 0.003731 -0.006876 -0.001414 -0.002290 31O 1f+1 0.003305 -0.007351 -0.001497 -0.007711 0.003011 -0.002019 31O 1f-1 0.003102 -0.001877 -0.002572 -0.001755 -0.000407 0.000559 31O 1f+2 -0.001776 0.004851 -0.002633 0.005350 -0.001865 0.000378 31O 1f-2 -0.002784 0.006597 -0.007231 0.013102 0.000522 0.006478 31O 1f+3 0.002177 0.000467 0.005992 -0.004794 -0.001468 -0.005535 31O 1f-3 -0.002298 0.002597 -0.009392 0.009821 0.001269 0.005460 32O 1s -0.002344 0.003063 -0.004008 0.002955 -0.003845 -0.000729 32O 2s -0.005555 0.008886 -0.011812 0.006972 -0.009128 -0.001752 32O 3s -0.004023 -0.033689 0.047294 -0.001275 0.001371 -0.000180 32O 4s 0.155864 -0.009422 -0.012351 -0.127712 0.192197 0.047061 32O 5s -0.341219 0.028611 0.063176 0.252370 -0.453355 -0.145795 32O 1pz -0.021326 0.009233 -0.013924 -0.013155 -0.012343 0.010330 32O 1px 0.016748 -0.031532 0.051761 -0.006440 -0.002493 0.005564 32O 1py -0.024349 -0.004800 -0.001059 0.025016 -0.022787 -0.018185 32O 2pz 0.025890 -0.005008 -0.010256 0.033533 -0.014414 -0.144047 32O 2px 0.010354 -0.021386 0.018498 -0.005185 0.015960 -0.051033 32O 2py 0.029645 0.004693 -0.003298 0.009099 -0.003699 0.016354 32O 3pz -0.155720 -0.146241 0.026349 -0.012284 0.216303 -0.042294 32O 3px -0.027072 0.021121 -0.089562 0.358449 -0.280022 0.017930 32O 3py -0.159543 0.040822 0.014465 -0.210641 0.122264 -0.070333 32O 1dz2 -0.000466 0.000896 0.000130 -0.003629 -0.000669 -0.000405 32O 1dxz -0.002422 -0.000978 -0.000805 0.001470 0.004947 -0.001185 32O 1dyz -0.000267 -0.000646 -0.000215 0.001622 0.000554 0.000794 32O 1dx2y2 0.000782 -0.000600 0.000545 0.003129 0.000021 -0.000095 32O 1dxy -0.000968 -0.000168 0.000351 -0.001950 0.001478 -0.000179 32O 2dz2 -0.021410 -0.007574 0.033464 -0.067314 -0.005261 -0.078957 32O 2dxz 0.024600 0.003166 -0.028561 -0.006388 0.118792 0.045116 32O 2dyz 0.011048 -0.049809 -0.013539 0.097014 0.032881 -0.171395 32O 2dx2y2 -0.001910 -0.007563 0.006884 0.052989 -0.012481 -0.007887 32O 2dxy -0.018235 0.003752 -0.033281 -0.011580 0.045694 -0.049788 32O 1f0 0.000870 0.000598 -0.001085 -0.000855 0.001841 -0.000455 32O 1f+1 -0.000888 -0.001013 0.000721 0.001729 0.000006 -0.001764 32O 1f-1 0.001767 -0.001080 0.000248 0.001568 0.000813 -0.005595 32O 1f+2 -0.000260 -0.000189 0.001308 -0.000360 -0.001792 0.003097 32O 1f-2 0.000978 0.001278 0.000049 -0.003453 0.000786 0.007553 32O 1f+3 0.000218 -0.000908 0.001220 0.001531 -0.000200 -0.002007 32O 1f-3 -0.001276 -0.000764 0.000290 0.000059 0.000721 -0.004151 33O 1s -0.004546 -0.003867 0.004274 -0.002630 -0.005433 0.001246 33O 2s -0.014148 -0.008588 0.008239 -0.007662 -0.012024 0.000583 33O 3s 0.087127 -0.023087 0.068047 0.028954 -0.041484 0.083478 33O 4s -0.025295 0.365262 -0.596849 -0.058375 0.529940 -0.541126 33O 5s -0.818619 -0.137293 -1.194317 0.430487 0.930661 -2.668296 33O 1pz 0.072368 0.004361 -0.000862 -0.024253 -0.008729 -0.039308 33O 1px -0.092423 -0.008708 0.004736 -0.000245 -0.047158 0.033152 33O 1py 0.021974 -0.017342 0.008178 -0.030340 -0.023741 -0.003999 33O 2pz 0.002361 0.145806 -0.278524 -0.026874 0.303286 -0.393703 33O 2px 0.042917 -0.168397 0.344706 0.015333 -0.411095 0.362612 33O 2py 0.029773 -0.006206 -0.061980 -0.033631 0.017456 -0.092228 33O 3pz -1.372132 -0.244523 -0.511264 0.392601 -0.718659 -0.991926 33O 3px 0.622872 0.003827 0.526919 -0.252391 -0.160632 0.636351 33O 3py -0.569650 -0.222279 -0.145206 0.120526 -0.490651 -0.303904 33O 1dz2 0.007124 0.001005 -0.000903 -0.002069 0.004679 0.004084 33O 1dxz -0.001171 -0.000100 -0.002315 0.001274 0.000054 -0.007179 33O 1dyz 0.005617 0.003474 -0.000441 -0.002165 0.003192 -0.000842 33O 1dx2y2 -0.002979 -0.001150 0.002195 0.001564 -0.003928 0.000287 33O 1dxy -0.000888 -0.003455 -0.002003 -0.001627 -0.003815 -0.003665 33O 2dz2 -0.010059 0.022100 -0.042858 0.028133 -0.018267 -0.004353 33O 2dxz 0.138350 -0.041698 0.108205 -0.059457 -0.090622 0.165005 33O 2dyz -0.011363 -0.037775 0.051082 -0.052106 -0.067098 -0.043198 33O 2dx2y2 -0.127614 -0.015399 -0.068216 -0.046942 0.002565 -0.110734 33O 2dxy 0.034907 -0.048752 0.091525 -0.042483 -0.042372 -0.015719 33O 1f0 0.007582 -0.001522 0.006733 -0.000581 -0.003552 0.004707 33O 1f+1 0.011782 -0.006192 0.003434 -0.002870 -0.004641 0.008309 33O 1f-1 0.002201 -0.001576 0.000589 -0.002336 -0.001243 -0.000229 33O 1f+2 -0.017474 0.002900 -0.010792 0.002854 0.008557 -0.007626 33O 1f-2 0.003593 0.004673 0.004791 0.002980 0.000563 0.001035 33O 1f+3 -0.006758 0.001390 -0.005164 -0.000327 0.004375 -0.003345 33O 1f-3 0.004587 0.003580 0.006709 -0.000294 0.002595 0.002159 34O 1s 0.001968 -0.000073 0.001995 -0.007227 -0.000449 -0.003620 34O 2s 0.003637 0.001540 0.001626 -0.016233 -0.001778 -0.007594 34O 3s 0.041261 -0.056037 0.094592 -0.036429 0.010476 -0.043466 34O 4s -0.328778 0.262088 -0.541211 0.588383 -0.085403 0.559349 34O 5s -1.556423 1.121944 -1.159121 0.818098 0.623924 1.786353 34O 1pz -0.023686 0.016675 0.020677 -0.024424 -0.011817 -0.023846 34O 1px -0.024015 -0.017960 0.037148 0.027994 -0.014694 0.095059 34O 1py -0.016000 0.010148 -0.009068 0.058132 0.011901 -0.035961 34O 2pz -0.025501 0.028371 0.060983 -0.035397 -0.012322 0.035337 34O 2px -0.317299 0.231893 -0.404135 0.486131 -0.020545 0.470658 34O 2py 0.095555 -0.025120 0.106694 -0.020733 -0.005333 -0.206114 34O 3pz -0.144449 0.141466 -0.157556 -0.433562 0.135595 -0.121826 34O 3px -0.663280 0.815825 -0.808822 -0.345130 0.560217 0.213536 34O 3py 0.240036 -0.559445 0.314936 0.631270 -0.259185 0.145573 34O 1dz2 -0.000492 0.001081 -0.001438 -0.000230 0.002841 0.001702 34O 1dxz 0.003904 -0.003847 -0.000991 0.001791 -0.000728 0.002078 34O 1dyz 0.000043 0.000295 -0.000023 0.001681 0.000985 -0.005617 34O 1dx2y2 0.004496 -0.002114 0.000238 -0.002268 0.001805 -0.004981 34O 1dxy -0.001621 0.000872 -0.003523 -0.006536 0.003393 0.000979 34O 2dz2 -0.038917 -0.051162 0.049406 0.014681 -0.041035 -0.105289 34O 2dxz -0.000977 -0.020261 -0.003087 -0.001818 0.050932 0.028957 34O 2dyz 0.018705 0.051291 -0.054211 0.060634 0.080091 0.027242 34O 2dx2y2 -0.128893 0.088107 -0.169282 0.042128 0.030766 0.001825 34O 2dxy 0.049655 -0.054275 0.081192 -0.031963 -0.023362 -0.024565 34O 1f0 0.001664 -0.003574 -0.004569 0.001074 0.002152 -0.000553 34O 1f+1 0.005755 -0.008412 0.010525 -0.004332 -0.001057 0.000746 34O 1f-1 -0.002423 -0.000353 -0.002484 -0.000539 -0.000204 -0.001252 34O 1f+2 -0.000691 0.004673 0.004480 0.002482 -0.001732 -0.001740 34O 1f-2 -0.001571 0.000170 -0.005775 -0.000854 0.004074 0.000036 34O 1f+3 0.005336 -0.012394 0.012452 -0.008908 -0.002068 0.002832 34O 1f-3 -0.003115 0.003337 -0.012058 0.000025 0.004023 0.002462 35O 1s 0.003515 0.001655 -0.001105 0.003679 0.011794 0.000000 35O 2s 0.008616 0.006032 -0.004912 0.010676 0.029346 -0.000902 35O 3s -0.011236 -0.057601 0.074322 -0.047504 -0.059358 0.030884 35O 4s -0.267780 0.114132 -0.255715 0.085394 -0.444004 -0.252810 35O 5s 1.685125 0.648844 -1.807275 0.057077 2.196629 -1.467065 35O 1pz 0.008488 0.014998 0.003134 0.033485 0.038027 -0.049319 35O 1px -0.035818 -0.044425 0.035167 -0.006276 -0.056518 -0.063581 35O 1py -0.028742 -0.041364 -0.019875 0.001329 -0.023144 -0.043787 35O 2pz 0.000580 0.026094 -0.035913 0.027409 0.100172 -0.144914 35O 2px -0.059637 0.110102 -0.276201 0.096483 0.050246 -0.187971 35O 2py -0.029009 -0.019957 -0.177459 0.021800 0.042935 -0.144523 35O 3pz 0.853743 0.363664 -0.340398 -0.121830 0.434812 -0.012761 35O 3px 1.029983 0.577940 -0.829094 -0.218003 1.173069 -0.276094 35O 3py 0.921003 0.609677 -0.479619 -0.153655 0.783235 -0.185565 35O 1dz2 -0.000800 -0.001995 -0.001176 0.000989 0.000612 -0.003303 35O 1dxz -0.008559 -0.004534 0.001468 0.001328 -0.004845 0.003022 35O 1dyz -0.005375 -0.003350 0.002168 0.002511 -0.001243 -0.002178 35O 1dx2y2 0.001175 -0.000947 -0.003021 -0.001178 -0.001087 0.000946 35O 1dxy -0.005146 0.000519 0.004499 0.003997 -0.001324 0.001532 35O 2dz2 0.000083 -0.081714 0.122286 0.018498 -0.131472 -0.018318 35O 2dxz -0.045645 0.017015 -0.054490 -0.024181 0.085121 -0.043475 35O 2dyz 0.022373 -0.010871 0.001330 0.025043 -0.111899 -0.012342 35O 2dx2y2 0.137938 0.042242 -0.056725 0.004137 0.049808 0.043029 35O 2dxy 0.102427 0.068316 -0.053108 -0.017626 0.086912 -0.021194 35O 1f0 -0.002899 -0.004564 0.001189 -0.000416 -0.004121 0.002187 35O 1f+1 -0.005495 -0.008295 0.011113 0.000290 -0.011717 -0.002456 35O 1f-1 -0.002993 -0.002415 0.007227 0.001200 -0.003525 -0.001890 35O 1f+2 0.003311 0.007907 -0.003434 0.001724 0.006800 -0.003710 35O 1f-2 0.001803 0.002131 0.000913 0.002704 0.001918 -0.001200 35O 1f+3 -0.001236 -0.010146 -0.001869 -0.002761 -0.006963 -0.001418 35O 1f-3 -0.008125 -0.007566 0.014256 -0.000614 -0.013178 -0.003323 312 313 314 315 316 317 1.46611 1.47233 1.47246 1.48101 1.48925 1.49710 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s 0.000665 -0.002102 -0.000855 -0.000768 -0.000367 0.000632 0Rh 2s -0.002393 0.007001 0.002894 0.003239 0.000546 -0.000260 0Rh 3s 0.002427 -0.008024 -0.003234 -0.002515 -0.001814 0.003544 0Rh 4s 0.011250 -0.032760 -0.013530 -0.015347 -0.002341 0.000563 0Rh 5s -0.007775 0.017429 0.007425 0.014342 -0.005326 0.018677 0Rh 6s -0.040554 0.142168 0.058815 0.040497 0.038705 -0.086198 0Rh 7s 0.142398 -0.686984 -0.318755 0.276184 -0.303041 0.700670 0Rh 8s -0.088650 -0.415503 -0.093157 0.866018 -0.017121 -0.038249 0Rh 1pz 0.002376 -0.001680 -0.005702 0.010119 -0.000396 0.003738 0Rh 1px 0.005253 0.001022 0.002455 -0.026181 0.004058 -0.006004 0Rh 1py -0.002069 -0.000765 -0.003929 -0.002249 -0.000805 0.004135 0Rh 2pz -0.007930 0.005697 0.018991 -0.034026 0.001474 -0.013059 0Rh 2px -0.017519 -0.003812 -0.008542 0.088227 -0.014581 0.022220 0Rh 2py 0.006813 0.002215 0.013606 0.007199 0.003112 -0.014453 0Rh 3pz -0.001955 -0.000820 0.003455 -0.000003 -0.003263 0.010489 0Rh 3px -0.003193 0.008898 0.006594 -0.005304 0.019844 -0.043023 0Rh 3py 0.003455 0.008225 -0.007679 0.007525 -0.007849 0.010446 0Rh 4pz 0.058476 -0.030973 -0.122011 0.199892 0.006153 0.032296 0Rh 4px 0.117421 -0.021186 0.018903 -0.490166 0.004294 0.045681 0Rh 4py -0.056210 -0.051216 -0.052134 -0.071969 0.009502 0.048619 0Rh 5pz -0.105632 0.042146 0.174083 -0.337933 -0.024591 -0.020166 0Rh 5px -0.209577 0.108741 0.019754 0.798185 0.037986 -0.168526 0Rh 5py 0.099939 0.123232 0.074946 0.113586 -0.017069 -0.074175 0Rh 6pz 0.080784 0.168373 0.467345 1.419846 0.121773 -0.391173 0Rh 6px 0.926687 -1.808122 -0.964353 -3.454418 -0.530881 1.253593 0Rh 6py -0.118259 -1.026452 0.457518 -0.127567 0.181154 -0.583058 0Rh 1dz2 -0.004695 -0.006364 -0.001144 -0.001177 0.016988 -0.001559 0Rh 1dxz 0.003989 -0.007309 0.004556 0.008925 0.006585 -0.011652 0Rh 1dyz -0.017916 -0.009063 -0.001054 -0.007925 0.031724 0.007960 0Rh 1dx2y2 0.001964 0.004471 -0.001214 -0.009510 0.000706 0.014937 0Rh 1dxy -0.009425 -0.003710 -0.011039 0.026057 -0.001229 0.029014 0Rh 2dz2 0.000533 0.002562 0.000900 -0.000100 -0.002174 0.001564 0Rh 2dxz -0.000676 0.002475 -0.001089 -0.000601 -0.001824 0.003502 0Rh 2dyz 0.003575 0.001957 0.000341 0.000884 -0.002464 0.000226 0Rh 2dx2y2 0.000333 -0.003092 -0.000651 0.001141 0.001055 -0.003730 0Rh 2dxy 0.001168 -0.000535 0.001182 -0.003192 0.000973 -0.002940 0Rh 3dz2 0.008357 0.003278 -0.001363 0.003127 -0.029495 -0.003125 0Rh 3dxz -0.006078 0.005779 -0.005889 -0.018070 -0.007252 0.011649 0Rh 3dyz 0.025509 0.012215 0.000950 0.014378 -0.061829 -0.019207 0Rh 3dx2y2 -0.005981 0.003541 0.005785 0.017020 -0.006151 -0.018219 0Rh 3dxy 0.016411 0.010889 0.020128 -0.046060 -0.001384 -0.053763 0Rh 4dz2 0.012255 0.045942 0.015913 0.001982 -0.047280 0.021416 0Rh 4dxz -0.016309 0.047138 -0.015818 -0.012029 -0.030823 0.058579 0Rh 4dyz 0.066682 0.037211 0.005749 0.019022 -0.068643 -0.005229 0Rh 4dx2y2 0.004573 -0.055982 -0.012787 0.017774 0.012476 -0.064475 0Rh 4dxy 0.026495 -0.006097 0.026963 -0.066774 0.014758 -0.071433 0Rh 5dz2 -0.041971 -0.248201 -0.101106 -0.072598 0.177755 -0.057867 0Rh 5dxz 0.104619 -0.258715 -0.000900 -0.077125 0.103489 -0.200762 0Rh 5dyz -0.256810 -0.169172 -0.029916 -0.066639 0.287218 0.025874 0Rh 5dx2y2 -0.067175 0.348418 0.133449 0.107687 -0.025855 0.210440 0Rh 5dxy -0.114179 0.070735 -0.093244 0.242831 -0.061291 0.298575 0Rh 1f0 -0.001788 0.011165 0.021929 -0.020942 0.048703 -0.061613 0Rh 1f+1 0.000065 -0.000663 -0.005423 0.011093 -0.012293 0.010123 0Rh 1f-1 -0.010704 0.008349 0.004468 -0.013465 0.028565 -0.021776 0Rh 1f+2 0.015536 -0.029219 0.009938 0.008607 0.007014 0.014047 0Rh 1f-2 0.015243 0.008666 0.011065 0.006843 -0.010714 -0.031190 0Rh 1f+3 -0.013676 -0.018150 -0.017929 0.007985 -0.025837 0.057899 0Rh 1f-3 -0.008432 -0.006387 -0.010503 0.035535 -0.001482 0.045686 1Rh 1s -0.000673 0.002098 0.000841 0.000769 -0.000347 0.000627 1Rh 2s 0.002443 -0.006965 -0.002754 -0.003268 0.000488 -0.000258 1Rh 3s -0.002443 0.008022 0.003241 0.002503 -0.001737 0.003517 1Rh 4s -0.011489 0.032567 0.012888 0.015495 -0.002069 0.000558 1Rh 5s 0.008152 -0.016931 -0.006535 -0.014692 -0.005418 0.018541 1Rh 6s 0.040451 -0.143864 -0.056573 -0.039952 0.037306 -0.085546 1Rh 7s -0.142455 0.723925 0.243155 -0.279041 -0.289848 0.693539 1Rh 8s 0.089378 0.366793 0.209594 -0.867028 -0.003094 -0.049876 1Rh 1pz 0.002472 -0.005563 0.002985 0.009890 0.000264 -0.003720 1Rh 1px 0.005333 0.002562 -0.001363 -0.026243 -0.003736 0.005763 1Rh 1py -0.002176 -0.003572 0.002046 -0.002264 0.000841 -0.004038 1Rh 2pz -0.008244 0.018598 -0.009882 -0.033254 -0.001020 0.012981 1Rh 2px -0.017802 -0.009114 0.004524 0.088456 0.013495 -0.021414 1Rh 2py 0.007186 0.012019 -0.007422 0.007250 -0.003228 0.014131 1Rh 3pz -0.002158 0.002146 -0.002904 -0.000024 0.003084 -0.010139 1Rh 3px -0.002905 0.011615 0.001553 -0.005719 -0.019703 0.043093 1Rh 3py 0.003178 0.000743 0.011532 0.007526 0.007781 -0.010511 1Rh 4pz 0.061065 -0.115754 0.066768 0.195426 -0.008166 -0.033152 1Rh 4px 0.117882 -0.002157 -0.034636 -0.489870 0.001349 -0.050585 1Rh 4py -0.057285 -0.079240 -0.004169 -0.072269 -0.008551 -0.046466 1Rh 5pz -0.109654 0.164000 -0.097232 -0.331130 0.028160 0.021419 1Rh 5px -0.209575 0.093322 0.071394 0.797132 -0.046308 0.176098 1Rh 5py 0.100796 0.149803 0.041703 0.114108 0.015687 0.070675 1Rh 6pz 0.074808 0.471728 -0.191542 1.436939 -0.145408 0.404893 1Rh 6px 0.912693 -1.972138 -0.595064 -3.442194 0.550997 -1.270936 1Rh 6py -0.087840 -0.397463 -1.043536 -0.127944 -0.184693 0.582375 1Rh 1dz2 0.004653 0.004824 0.003620 0.001207 0.016920 -0.001402 1Rh 1dxz -0.004097 0.001681 0.007804 -0.008685 0.007028 -0.012107 1Rh 1dyz 0.018372 0.005507 0.005447 0.008139 0.031984 0.008081 1Rh 1dx2y2 -0.001909 -0.002463 -0.003798 0.009745 0.000713 0.014847 1Rh 1dxy 0.009833 0.009848 -0.005803 -0.026140 -0.000684 0.028959 1Rh 2dz2 -0.000511 -0.002373 -0.001126 0.000104 -0.002203 0.001576 1Rh 2dxz 0.000696 -0.000901 -0.002382 0.000566 -0.001877 0.003568 1Rh 2dyz -0.003704 -0.001263 -0.001080 -0.000837 -0.002538 0.000232 1Rh 2dx2y2 -0.000359 0.002699 0.001634 -0.001145 0.001077 -0.003742 1Rh 2dxy -0.001260 -0.000255 0.001313 0.003235 0.000901 -0.002940 1Rh 3dz2 -0.008351 -0.000574 -0.003339 -0.003209 -0.029211 -0.003540 1Rh 3dxz 0.006239 0.000347 -0.007509 0.017671 -0.008045 0.012417 1Rh 3dyz -0.025997 -0.007108 -0.007746 -0.015069 -0.062108 -0.019509 1Rh 3dx2y2 0.005969 -0.006458 0.001486 -0.017540 -0.006265 -0.017960 1Rh 3dxy -0.016946 -0.021476 0.007533 0.046063 -0.002327 -0.053641 1Rh 4dz2 -0.011952 -0.042214 -0.020417 -0.001962 -0.047679 0.021489 1Rh 4dxz 0.016667 -0.020833 -0.041939 0.011268 -0.031941 0.059888 1Rh 4dyz -0.068853 -0.023741 -0.021123 -0.018645 -0.069971 -0.005243 1Rh 4dx2y2 -0.004974 0.049567 0.028920 -0.018050 0.012795 -0.064584 1Rh 4dxy -0.028182 -0.011343 0.025191 0.067450 0.013316 -0.071329 1Rh 5dz2 0.041376 0.240621 0.100045 0.072245 0.180177 -0.058943 1Rh 5dxz -0.105730 0.179197 0.171919 0.080758 0.106641 -0.204852 1Rh 5dyz 0.264273 0.114482 0.093624 0.065644 0.293684 0.025052 1Rh 5dx2y2 0.068285 -0.345062 -0.144496 -0.106860 -0.026518 0.210852 1Rh 5dxy 0.120937 0.002137 -0.120759 -0.245465 -0.056453 0.297358 1Rh 1f0 -0.001102 0.023709 -0.008405 -0.022126 -0.048847 0.062609 1Rh 1f+1 -0.000188 -0.004515 0.003655 0.010805 0.012173 -0.009118 1Rh 1f-1 -0.009791 0.006639 0.001952 -0.013476 -0.028196 0.020936 1Rh 1f+2 0.015278 -0.013473 -0.027085 0.008642 -0.007935 -0.012716 1Rh 1f-2 0.014642 0.013871 -0.000798 0.007687 0.010859 0.030982 1Rh 1f+3 -0.013770 -0.026503 -0.000119 0.008370 0.025873 -0.057985 1Rh 1f-3 -0.008566 -0.013358 0.003130 0.035180 0.000568 -0.045713 2C 1s 0.009111 -0.015670 -0.018414 -0.013085 -0.041047 -0.023302 2C 2s 0.028071 -0.049498 -0.057986 -0.040182 -0.127461 -0.073782 2C 3s -0.286200 0.544670 0.619465 0.328778 1.193131 0.799463 2C 4s 0.654809 -1.394206 -1.567478 -0.583070 -2.478460 -2.016111 2C 5s -0.977401 -0.255040 0.552922 2.343424 6.085583 4.008924 2C 1pz -0.109516 -0.058924 -0.212617 0.056769 -0.019522 -0.061096 2C 1px -0.095664 -0.085472 -0.171843 -0.016089 -0.049285 -0.065601 2C 1py 0.325224 -0.124762 0.206065 -0.005390 -0.014933 -0.019302 2C 2pz 0.235490 0.193764 0.605378 0.139410 0.457056 0.078570 2C 2px 0.271847 0.081020 0.339852 -0.060875 0.192220 0.227693 2C 2py -1.006217 0.293968 -0.629153 0.144075 0.300227 0.079156 2C 3pz -0.079236 -0.433772 -0.300572 0.282595 0.493440 0.425577 2C 3px -0.079045 -0.237803 -0.200664 0.039372 -0.034046 -0.003797 2C 3py 0.239131 -0.326190 -0.132913 0.222919 0.413426 0.177052 2C 1dz2 0.003652 -0.008122 0.009897 -0.010160 -0.003003 0.015122 2C 1dxz -0.002661 0.013245 0.011440 0.012038 0.000163 0.000435 2C 1dyz -0.007083 0.009678 -0.003074 0.000954 0.001148 0.000324 2C 1dx2y2 0.006690 0.001701 0.013273 -0.006529 -0.003431 0.000478 2C 1dxy 0.010155 0.012449 0.020470 0.005356 -0.004936 0.000243 2C 2dz2 -0.216442 0.170134 0.013718 0.063418 0.127228 -0.069809 2C 2dxz -0.438534 -0.093500 -0.447295 0.016584 0.056139 0.068688 2C 2dyz 0.026371 0.187203 0.220101 -0.002564 0.113322 0.014865 2C 2dx2y2 -0.125237 0.010438 -0.126376 -0.026998 -0.024698 -0.051027 2C 2dxy 0.295511 -0.110090 0.212579 -0.059969 -0.020379 0.077181 2C 1f0 -0.022232 0.003180 -0.023222 0.002968 -0.010975 -0.015261 2C 1f+1 0.013748 -0.004622 0.011874 -0.006570 -0.002255 -0.003411 2C 1f-1 0.002728 -0.013479 -0.011669 0.016834 0.005155 -0.011991 2C 1f+2 -0.027253 0.018309 0.006555 0.002702 0.027248 0.029798 2C 1f-2 -0.002936 -0.030296 -0.047193 -0.007363 -0.033443 -0.024701 2C 1f+3 -0.032553 0.021095 0.001211 0.014345 0.040868 0.031306 2C 1f-3 0.013397 0.013397 0.025326 0.003632 0.004034 -0.000061 3C 1s 0.024043 0.009742 -0.008529 0.025553 0.036950 0.018921 3C 2s 0.075564 0.030713 -0.026487 0.079927 0.115935 0.058007 3C 3s -0.833067 -0.321493 0.288194 -0.756415 -1.148452 -0.452428 3C 4s 2.182866 0.810914 -0.782307 1.711403 2.596159 0.611620 3C 5s -0.231617 -0.826612 0.285325 -1.906683 -5.927611 -2.599149 3C 1pz 0.023333 0.155398 0.296765 -0.131400 -0.060248 0.008035 3C 1px 0.078309 0.007443 0.079991 -0.035818 0.073375 -0.072884 3C 1py -0.187631 0.010955 0.225898 -0.129384 -0.067476 0.031416 3C 2pz -0.039236 -0.419349 -0.879507 0.338384 0.020752 -0.228311 3C 2px -0.097636 -0.193119 -0.264192 -0.118273 -0.225975 -0.009153 3C 2py 0.468507 -0.086871 -0.585544 0.499031 0.353034 0.307498 3C 3pz 0.310423 0.231528 0.024542 -0.101559 -0.424601 -0.197460 3C 3px 0.265044 -0.010443 0.099171 0.085790 -0.035138 -0.242368 3C 3py -0.612811 -0.029990 0.164542 -0.170741 0.532085 0.169357 3C 1dz2 0.011092 -0.005193 -0.025607 0.004899 0.003832 -0.009085 3C 1dxz -0.003451 0.005736 -0.003136 0.007277 -0.000316 -0.001338 3C 1dyz 0.005939 0.005786 0.005496 0.006959 0.000349 -0.003773 3C 1dx2y2 -0.003512 0.013302 0.001299 0.009902 0.006836 -0.005248 3C 1dxy 0.012781 -0.007399 -0.001916 -0.011891 -0.000212 -0.000836 3C 2dz2 0.019299 0.041836 -0.077314 0.058409 -0.017229 0.052157 3C 2dxz -0.030084 -0.024784 0.204302 -0.130643 0.018284 -0.122871 3C 2dyz 0.298868 -0.164404 -0.355386 0.250106 0.110556 -0.041893 3C 2dx2y2 0.074072 0.137141 0.382188 -0.155237 0.042455 0.053108 3C 2dxy -0.007674 0.229648 0.192976 0.013546 -0.035965 0.152585 3C 1f0 0.002050 0.018597 0.028677 0.005231 0.020883 0.020817 3C 1f+1 -0.004282 0.011246 0.013290 0.003497 0.011506 0.006239 3C 1f-1 0.026947 -0.008075 -0.033230 0.027921 0.026856 0.002225 3C 1f+2 -0.049663 -0.019453 0.019912 -0.030044 -0.037259 -0.005670 3C 1f-2 -0.034573 -0.010252 0.004685 -0.007381 -0.030177 0.000624 3C 1f+3 0.005149 0.001795 0.018079 -0.017793 0.005432 -0.015332 3C 1f-3 0.014695 -0.002398 -0.002854 0.004766 0.011197 -0.007553 4C 1s 0.007302 -0.002666 -0.002142 -0.020047 -0.026432 -0.002514 4C 2s 0.022171 -0.008629 -0.007148 -0.061372 -0.080542 -0.007413 4C 3s -0.236911 0.184332 0.130084 0.610533 0.809687 0.004413 4C 4s 0.848290 -1.078777 -0.612889 -1.396440 -1.881519 -0.236144 4C 5s 0.245099 0.699197 0.400078 -0.979653 -0.633184 -0.532376 4C 1pz -0.284899 0.032371 -0.202921 0.074527 0.120185 -0.113965 4C 1px -0.232082 -0.092070 -0.233523 -0.038997 0.095969 -0.041381 4C 1py 0.473897 -0.031897 0.372055 -0.023143 -0.067561 0.130420 4C 2pz 0.399525 -0.186264 0.273715 -0.248791 -0.220179 -0.194733 4C 2px 0.433691 0.262069 0.192633 0.035334 -0.593666 0.563007 4C 2py -0.701016 0.029168 -0.713144 0.017565 -0.073834 -0.258441 4C 3pz -0.261847 -1.251938 -1.152031 0.718604 2.557586 1.589069 4C 3px 0.000134 0.516200 0.327332 0.172528 0.383823 0.102436 4C 3py 0.370794 -0.737489 0.237664 0.381214 1.493363 1.333275 4C 1dz2 -0.016082 0.009420 -0.019022 0.003313 -0.002739 -0.000089 4C 1dxz -0.005669 0.005598 -0.007582 0.003731 0.004188 -0.002088 4C 1dyz 0.006326 0.002123 0.013541 -0.008838 -0.010811 0.005550 4C 1dx2y2 0.000331 -0.006980 -0.018207 0.005787 0.003404 -0.009082 4C 1dxy 0.000505 -0.001012 -0.004825 -0.003761 -0.007681 0.006059 4C 2dz2 0.021280 0.253416 0.248110 0.138307 0.008894 -0.222171 4C 2dxz 0.029434 -0.339886 -0.382693 -0.263862 -0.162583 0.304229 4C 2dyz 0.054654 0.033877 0.071038 -0.104025 -0.150747 0.131864 4C 2dx2y2 -0.063687 -0.081219 -0.175841 -0.023878 0.050068 0.095843 4C 2dxy -0.066132 -0.311997 -0.416390 -0.236067 -0.127190 0.343682 4C 1f0 -0.012195 0.000857 -0.004607 -0.003850 0.005847 0.010389 4C 1f+1 -0.004764 0.012097 0.017312 0.023239 0.032413 -0.012731 4C 1f-1 -0.000292 0.000689 -0.002543 -0.018705 -0.020157 -0.030924 4C 1f+2 0.003596 -0.014345 0.002424 -0.004603 -0.005322 -0.007696 4C 1f-2 -0.003042 0.012317 0.002280 0.004945 -0.018319 0.001397 4C 1f+3 -0.004918 -0.003808 -0.006530 0.001954 -0.007602 -0.010950 4C 1f-3 -0.004733 0.005003 0.007469 0.022383 0.036672 -0.008362 5C 1s 0.004072 0.007039 0.003428 0.018666 0.015705 0.023474 5C 2s 0.012842 0.021944 0.010412 0.057785 0.047979 0.071897 5C 3s -0.260419 -0.261344 -0.089597 -0.647733 -0.448237 -0.755082 5C 4s 1.382042 0.930536 0.274150 1.800522 1.170961 1.609486 5C 5s -0.916001 0.158111 -0.031092 0.358226 0.648992 0.073140 5C 1pz -0.160552 0.235424 0.531012 -0.228929 -0.025962 0.075792 5C 1px 0.054505 0.007652 0.040168 -0.129572 -0.070196 0.040561 5C 1py -0.076951 0.141593 0.329605 -0.154700 -0.025040 0.184189 5C 2pz 0.351001 -0.219715 -1.041711 0.468798 -0.039578 0.196558 5C 2px -0.046263 -0.122689 0.425235 0.357913 0.971560 -1.020723 5C 2py -0.052578 -0.338399 -0.382092 0.096554 -0.077018 -0.485912 5C 3pz 0.780131 -0.048648 0.382841 0.030394 -1.647883 -0.553969 5C 3px 0.142853 0.619132 0.215553 0.182919 -0.850612 -0.406015 5C 3py -1.419616 -0.063414 0.739866 -0.506952 2.440752 1.388736 5C 1dz2 -0.010449 -0.003271 0.023298 -0.010898 -0.003202 -0.002778 5C 1dxz -0.008269 -0.007580 0.004717 -0.004689 -0.005818 0.011299 5C 1dyz 0.004571 -0.000323 -0.012423 -0.003486 -0.002318 -0.014804 5C 1dx2y2 0.008133 0.006120 0.018139 -0.003807 -0.001436 0.001814 5C 1dxy 0.005560 0.001599 0.003685 -0.001561 -0.001619 -0.001311 5C 2dz2 -0.161427 0.157060 0.116043 -0.033804 -0.083872 0.131309 5C 2dxz 0.019301 -0.288012 0.124695 -0.216924 0.180453 -0.164952 5C 2dyz 0.126630 -0.201772 0.018177 -0.233071 0.157591 -0.398623 5C 2dx2y2 0.260316 -0.245747 -0.048579 -0.055135 0.118912 -0.341681 5C 2dxy -0.199491 0.446679 -0.101106 0.281738 -0.302615 0.321201 5C 1f0 -0.004760 -0.003732 0.020260 -0.027206 -0.014544 -0.043891 5C 1f+1 -0.012212 -0.005423 -0.012106 -0.016334 -0.032253 0.000783 5C 1f-1 -0.002964 -0.004653 0.005131 0.006597 0.001849 -0.003431 5C 1f+2 0.003314 0.002351 -0.003272 -0.001237 -0.026306 0.005589 5C 1f-2 0.017693 0.004989 -0.009839 0.003307 -0.018684 0.035403 5C 1f+3 -0.017736 -0.002757 -0.003692 -0.002632 -0.008916 -0.005987 5C 1f-3 0.005351 0.015098 0.005536 0.031150 0.014613 0.023759 6C 1s -0.003964 -0.007163 -0.002775 -0.018524 0.015902 0.023452 6C 2s -0.012505 -0.022119 -0.008826 -0.057350 0.048582 0.071772 6C 3s 0.252058 0.246839 0.133508 0.645094 -0.455237 -0.751975 6C 4s -1.353651 -0.860162 -0.511975 -1.794961 1.194567 1.598872 6C 5s 0.959527 -0.184349 -0.149129 -0.381741 0.667126 0.052127 6C 1pz -0.148625 0.538532 -0.224489 -0.221753 0.030972 -0.076576 6C 1px 0.057380 0.032876 -0.024026 -0.127988 0.073224 -0.040105 6C 1py -0.068275 0.328464 -0.142521 -0.150404 0.029531 -0.185338 6C 2pz 0.322335 -0.876947 0.610044 0.462996 0.030007 -0.186381 6C 2px -0.042001 0.228510 -0.377093 0.336280 -0.978080 1.017202 6C 2py -0.052874 -0.521720 0.035579 0.086303 0.071691 0.477812 6C 3pz 0.775945 0.253847 -0.287750 0.072575 1.646447 0.565648 6C 3px 0.117508 0.621089 0.281762 0.210462 0.846931 0.410691 6C 3py -1.375275 0.420513 -0.628359 -0.550894 -2.431175 -1.403887 6C 1dz2 0.009870 -0.013807 0.019364 0.010563 -0.003527 -0.002330 6C 1dxz 0.008118 0.001930 0.008836 0.004522 -0.005863 0.011415 6C 1dyz -0.004566 0.009263 -0.008552 0.003766 -0.002253 -0.014883 6C 1dx2y2 -0.008476 -0.016782 0.008700 0.003505 -0.001437 0.001656 6C 1dxy -0.005711 -0.003430 0.001532 0.001608 -0.001549 -0.001545 6C 2dz2 0.155735 -0.179994 -0.016823 0.032026 -0.085370 0.135602 6C 2dxz -0.034061 0.132623 0.292547 0.225719 0.177962 -0.159037 6C 2dyz -0.134224 0.131158 0.151883 0.240144 0.154981 -0.398521 6C 2dx2y2 -0.252073 0.180477 0.119786 0.055447 0.119186 -0.348849 6C 2dxy 0.214862 -0.256629 -0.380901 -0.295396 -0.298891 0.316483 6C 1f0 -0.003907 0.011122 -0.017724 -0.027085 0.015078 0.043415 6C 1f+1 -0.011842 -0.013031 0.004131 -0.015914 0.032266 -0.000564 6C 1f-1 -0.002948 0.000280 -0.006803 0.006573 -0.001996 0.003457 6C 1f+2 0.003137 -0.001019 0.003964 -0.000844 0.026368 -0.005670 6C 1f-2 0.017176 -0.003359 0.010888 0.003952 0.018623 -0.035207 6C 1f+3 -0.017381 -0.005052 0.000022 -0.002284 0.008939 0.005678 6C 1f-3 0.004895 0.014957 0.007158 0.031253 -0.015054 -0.023486 7C 1s -0.007030 0.003417 0.000582 0.019506 -0.026815 -0.002447 7C 2s -0.021316 0.011229 0.001709 0.059714 -0.081700 -0.007224 7C 3s 0.231022 -0.231034 -0.049708 -0.595124 0.820916 0.004008 7C 4s -0.837284 1.226046 0.355364 1.364535 -1.901755 -0.245236 7C 5s -0.270527 -0.733332 -0.158273 0.999950 -0.646866 -0.538887 7C 1pz -0.285357 -0.113978 0.165109 0.067795 -0.121702 0.119460 7C 1px -0.230215 -0.235240 0.095186 -0.044079 -0.098066 0.042741 7C 1py 0.473832 0.230518 -0.279555 -0.013822 0.067493 -0.136803 7C 2pz 0.413072 0.023432 -0.335418 -0.235199 0.223655 0.184494 7C 2px 0.422401 0.355623 0.060397 0.032031 0.592182 -0.550261 7C 2py -0.698147 -0.475452 0.511170 0.000309 0.072635 0.272507 7C 3pz -0.226181 -1.782297 -0.092104 0.645396 -2.581704 -1.569771 7C 3px 0.004769 0.620100 0.128688 0.163034 -0.372893 -0.099348 7C 3py 0.400356 -0.417457 -0.700098 0.356333 -1.504680 -1.342533 7C 1dz2 0.016293 0.006701 -0.019871 -0.003054 -0.002829 0.000059 7C 1dxz 0.005519 0.001348 -0.009170 -0.003424 0.004182 -0.001991 7C 1dyz -0.006501 -0.010361 0.008375 0.008654 -0.011045 0.005711 7C 1dx2y2 -0.000058 0.017643 -0.008087 -0.005454 0.003630 -0.009444 7C 1dxy -0.000404 0.004464 -0.002537 0.003463 -0.007601 0.006033 7C 2dz2 -0.014923 -0.370210 -0.009887 -0.148385 0.002946 -0.217389 7C 2dxz -0.018681 0.498234 -0.039832 0.269325 -0.155136 0.297994 7C 2dyz -0.052033 -0.076913 0.028837 0.099943 -0.154246 0.133410 7C 2dx2y2 0.052229 0.204826 -0.051057 0.032970 0.052203 0.093640 7C 2dxy 0.064441 0.529987 -0.066988 0.247183 -0.121783 0.338850 7C 1f0 -0.012301 -0.002225 0.003902 -0.003846 -0.006346 -0.010498 7C 1f+1 -0.004712 0.021955 -0.002894 0.022751 -0.032781 0.012692 7C 1f-1 0.000189 -0.001871 0.001723 -0.018487 0.020428 0.030478 7C 1f+2 0.004010 -0.009874 -0.012414 -0.004017 0.005460 0.007501 7C 1f-2 -0.003353 0.010943 0.007250 0.005245 0.018373 -0.001389 7C 1f+3 -0.004817 -0.007931 0.001813 0.002356 0.007702 0.010885 7C 1f-3 -0.004790 0.008640 -0.000940 0.022263 -0.036809 0.007908 8C 1s -0.023416 -0.001730 -0.013870 -0.025071 0.037574 0.018913 8C 2s -0.073620 -0.005698 -0.043410 -0.078408 0.117878 0.057918 8C 3s 0.812094 0.055518 0.462819 0.741778 -1.168605 -0.450877 8C 4s -2.122714 -0.121064 -1.211156 -1.682101 2.646518 0.604058 8C 5s 0.196043 0.443242 0.820777 1.824970 -5.983972 -2.608984 8C 1pz 0.026648 0.321305 -0.105957 -0.126468 0.063255 -0.010499 8C 1px 0.081675 0.060350 -0.049839 -0.036356 -0.073165 0.068301 8C 1py -0.181744 0.164224 -0.159589 -0.125872 0.072483 -0.033770 8C 2pz -0.054582 -0.910152 0.344707 0.329186 -0.029962 0.239462 8C 2px -0.105619 -0.315154 0.050382 -0.118365 0.227006 0.024218 8C 2py 0.455841 -0.479533 0.372086 0.485444 -0.368994 -0.305981 8C 3pz 0.302092 0.196457 0.152403 -0.093071 0.427424 0.196736 8C 3px 0.271241 0.057339 -0.070088 0.084741 0.034112 0.235763 8C 3py -0.604859 0.092443 -0.152194 -0.178900 -0.528291 -0.175731 8C 1dz2 -0.010801 0.021741 -0.015042 -0.004408 0.004018 -0.009246 8C 1dxz 0.003492 -0.001972 -0.006094 -0.007023 -0.000311 -0.001153 8C 1dyz -0.005900 -0.008068 -0.000180 -0.007043 0.000558 -0.003746 8C 1dx2y2 0.003688 -0.010438 -0.008436 -0.009867 0.006990 -0.005324 8C 1dxy -0.012902 0.006520 0.003626 0.012005 -0.000356 -0.000940 8C 2dz2 -0.016000 0.022033 -0.085391 -0.058630 -0.014768 0.051205 8C 2dxz 0.024599 -0.134126 0.166511 0.133586 0.011951 -0.118160 8C 2dyz -0.292056 0.362994 -0.148597 -0.242588 0.117945 -0.042357 8C 2dx2y2 -0.083952 -0.358608 0.176859 0.152473 0.038324 0.060382 8C 2dxy 0.007529 -0.300301 -0.017868 -0.015961 -0.036777 0.157864 8C 1f0 0.002607 0.033108 -0.007420 0.005480 -0.021054 -0.021334 8C 1f+1 -0.004872 0.016700 -0.002108 0.003183 -0.010829 -0.005889 8C 1f-1 0.025774 -0.028449 0.019330 0.027212 -0.027628 -0.002030 8C 1f+2 -0.048096 -0.001913 -0.029189 -0.029421 0.038195 0.005691 8C 1f-2 -0.034759 -0.004868 -0.012008 -0.007555 0.031421 -0.000257 8C 1f+3 0.005358 0.014115 -0.011967 -0.018090 -0.004636 0.014853 8C 1f-3 0.014334 -0.003123 0.000542 0.004192 -0.010974 0.007573 9C 1s -0.009396 0.024239 -0.001525 0.013005 -0.041106 -0.023248 9C 2s -0.028985 0.076471 -0.004727 0.039926 -0.127608 -0.073637 9C 3s 0.297946 -0.828705 0.041425 -0.329474 1.192256 0.799339 9C 4s -0.695237 2.116079 -0.093481 0.597730 -2.471142 -2.019484 9C 5s 0.973877 -0.128124 0.542721 -2.278836 6.124958 4.002300 9C 1pz -0.112231 -0.187796 0.109708 0.055138 0.016900 0.060111 9C 1px -0.098642 -0.182058 0.062719 -0.019138 0.049493 0.064157 9C 1py 0.329823 0.054973 -0.230850 -0.005607 0.015152 0.024426 9C 2pz 0.251369 0.545468 -0.293254 0.135137 -0.455341 -0.073888 9C 2px 0.280686 0.296706 -0.186290 -0.056124 -0.195481 -0.221145 9C 2py -1.011556 -0.238067 0.642566 0.138750 -0.305475 -0.090530 9C 3pz -0.073743 -0.536741 -0.093121 0.273697 -0.500900 -0.429596 9C 3px -0.083950 -0.307152 -0.018565 0.037683 0.035182 0.003410 9C 3py 0.248466 -0.337449 -0.135858 0.209106 -0.420599 -0.163910 9C 1dz2 -0.004068 -0.000586 0.013011 0.009940 -0.003135 0.015319 9C 1dxz 0.002692 -0.017950 -0.001343 -0.012241 -0.000064 0.000591 9C 1dyz 0.007376 -0.004735 -0.008968 -0.000848 0.001099 0.000438 9C 1dx2y2 -0.006474 -0.010171 0.007971 0.006277 -0.003598 0.000377 9C 1dxy -0.010200 -0.023637 0.005596 -0.005643 -0.005128 0.000212 9C 2dz2 0.212678 -0.131236 -0.106476 -0.063140 0.124587 -0.067202 9C 2dxz 0.438339 0.391984 -0.243525 -0.008602 0.058644 0.070073 9C 2dyz -0.017802 -0.281538 0.016395 -0.001866 0.114048 0.012829 9C 2dx2y2 0.142772 0.081414 -0.106886 0.024159 -0.024712 -0.051998 9C 2dxy -0.296845 -0.066676 0.224096 0.060369 -0.017856 0.073936 9C 1f0 -0.022889 -0.013687 0.018852 0.002856 0.011067 0.015295 9C 1f+1 0.013729 0.005246 -0.011131 -0.006663 0.002500 0.003915 9C 1f-1 0.003387 -0.017482 -0.001496 0.016180 -0.006081 0.011686 9C 1f+2 -0.027626 0.018574 0.007729 0.002980 -0.028306 -0.031006 9C 1f-2 -0.002916 -0.054326 0.011555 -0.007963 0.032611 0.024103 9C 1f+3 -0.033136 0.014377 0.014415 0.013826 -0.040279 -0.030905 9C 1f-3 0.011727 0.028701 -0.007367 0.004882 -0.005647 -0.001221 10H 1s 0.015908 -0.010920 -0.003176 -0.020743 -0.008334 -0.015024 10H 2s -0.421781 0.185424 -0.008800 0.168187 0.407801 0.317030 10H 3s 0.358916 -0.231153 -0.220149 -0.393139 -0.869846 -0.524980 10H 1pz -0.054545 0.028460 0.016086 0.019361 0.088776 0.042954 10H 1px 0.043033 -0.028053 -0.013837 -0.011848 -0.053086 -0.027794 10H 1py -0.043743 -0.022285 -0.044370 -0.031003 0.028912 0.054389 11H 1s 0.001165 -0.014464 -0.018177 0.010421 0.006867 0.001831 11H 2s 0.751013 0.332879 1.159103 -0.064282 0.379552 0.354797 11H 3s -0.252247 -0.287193 -0.720979 -0.283191 -1.001021 -0.648798 11H 1pz 0.071828 0.050312 0.153254 -0.014774 0.050077 0.037578 11H 1px 0.038986 0.061053 0.129397 0.033154 0.078133 0.073039 11H 1py -0.073977 0.023652 -0.074403 -0.010551 -0.079043 -0.030103 12H 1s 0.011050 -0.006147 0.000084 0.006916 0.005508 -0.019652 12H 2s -0.848397 0.514394 -0.201288 0.058323 0.485827 0.271110 12H 3s 0.628453 -0.346644 -0.075123 -0.291590 -1.001129 -0.633810 12H 1pz 0.028955 0.003493 0.031491 0.005661 -0.005064 -0.037729 12H 1px -0.047043 -0.007258 -0.032733 0.008920 0.089975 0.072960 12H 1py -0.150416 0.128680 -0.011967 0.049291 0.079576 0.050671 13H 1s 0.008099 -0.004390 0.004475 -0.011027 0.014478 -0.010402 13H 2s -0.342088 -0.332960 -0.132809 -0.048693 -0.277772 -0.322244 13H 3s 0.448634 0.345100 -0.095477 0.321877 0.725281 0.515716 13H 1pz -0.032467 -0.085762 -0.049659 -0.062554 -0.072785 0.005585 13H 1px 0.063580 0.002620 -0.026049 0.001454 0.006932 0.069599 13H 1py 0.042547 0.034534 0.012074 0.026403 0.055247 0.040539 14H 1s 0.010989 0.017510 0.000907 0.006235 0.002541 -0.014346 14H 2s -0.401973 -0.396679 -0.591970 0.002243 -0.419149 -0.046359 14H 3s 0.422905 0.422548 0.279788 0.418270 0.957037 0.286700 14H 1pz -0.102296 -0.005054 -0.030206 0.045642 0.013215 -0.033439 14H 1px -0.054733 -0.074598 -0.091209 -0.033878 -0.124233 -0.008096 14H 1py 0.020088 -0.003347 -0.023522 0.010169 -0.000472 0.028395 15H 1s 0.028341 0.001365 -0.014124 0.005538 -0.008714 -0.015101 15H 2s -0.726692 0.266028 1.098918 -0.753940 -0.511116 0.003855 15H 3s 0.589856 0.001201 -0.571698 0.823856 1.010679 0.346791 15H 1pz 0.037184 -0.025755 -0.104972 0.079708 0.107412 0.039609 15H 1px -0.050774 0.018780 0.029636 0.007532 -0.008183 -0.007935 15H 1py 0.134729 -0.005255 -0.156956 0.120107 0.080858 -0.005797 16H 1s -0.010880 -0.011942 -0.002219 0.061980 0.022832 -0.000496 16H 2s 0.071199 0.158661 -0.149928 -0.448775 -0.360780 0.451988 16H 3s -0.107026 0.162734 0.057788 0.124990 0.098955 -0.075147 16H 1pz 0.014730 0.008845 -0.000840 -0.053311 -0.031217 0.020265 16H 1px -0.008857 0.049613 -0.005097 -0.090901 0.041750 -0.066999 16H 1py -0.004028 0.011279 0.022962 -0.047079 0.024584 -0.102444 17H 1s -0.010315 0.011302 -0.000992 0.055246 -0.020998 0.003039 17H 2s 0.094775 0.007588 -0.152868 -0.401688 -0.117837 0.445908 17H 3s 0.022761 0.188860 0.098175 0.122029 0.026670 -0.125927 17H 1pz -0.019411 -0.018163 0.009387 0.082929 -0.007738 0.010664 17H 1px 0.010387 0.015293 0.010386 -0.029215 0.025603 -0.072081 17H 1py 0.005925 -0.031189 0.021792 -0.042549 0.075449 -0.092605 18H 1s 0.010726 -0.004973 -0.008643 -0.056149 -0.019979 0.003090 18H 2s -0.091022 0.093746 -0.109726 0.402629 -0.123131 0.447184 18H 3s -0.024580 -0.198726 -0.061802 -0.121244 0.025607 -0.125085 18H 1pz -0.019280 -0.006925 -0.017368 0.081928 0.007784 -0.012209 18H 1px 0.009368 0.017503 0.003073 -0.027186 -0.025537 0.071085 18H 1py 0.005102 -0.003048 -0.036649 -0.041417 -0.076010 0.093035 19H 1s 0.012357 0.008739 0.005228 -0.060782 0.023559 -0.000667 19H 2s -0.074733 0.005195 -0.205499 0.442348 -0.367955 0.457284 19H 3s 0.107212 -0.162626 -0.072134 -0.123836 0.100074 -0.074766 19H 1pz 0.015793 0.004461 0.006050 -0.052023 0.032103 -0.022462 19H 1px -0.008801 0.031627 0.037086 -0.094331 -0.039151 0.064768 19H 1py -0.002646 0.023457 -0.008787 -0.048979 -0.022667 0.101740 20H 1s -0.027417 0.007521 -0.011865 -0.005816 -0.007916 -0.014894 20H 2s 0.698512 -0.942334 0.628978 0.736510 -0.535888 0.013164 20H 3s -0.570329 0.387813 -0.434129 -0.805491 1.034115 0.342201 20H 1pz 0.035535 -0.091322 0.059770 0.077411 -0.110140 -0.038557 20H 1px -0.050525 0.033242 -0.011101 0.007507 0.009202 0.009941 20H 1py 0.129544 -0.110246 0.113094 0.117251 -0.084385 0.007054 21H 1s -0.010983 -0.013237 -0.011932 -0.006259 0.002658 -0.013843 21H 2s 0.410959 0.708559 -0.137436 -0.004078 -0.415672 -0.062104 21H 3s -0.418395 -0.515645 -0.112646 -0.407622 0.965400 0.296625 21H 1pz -0.102397 -0.028741 0.015563 0.045082 -0.013395 0.034493 21H 1px -0.055070 -0.118115 0.011970 -0.033849 0.125101 0.010652 21H 1py 0.019878 -0.020082 0.014670 0.010022 0.000215 -0.026892 22H 1s -0.008116 -0.000221 0.006110 0.011235 0.014764 -0.010163 22H 2s 0.336515 0.333214 0.145328 0.051173 -0.284082 -0.321175 22H 3s -0.431504 -0.199205 -0.326870 -0.317665 0.736794 0.512580 22H 1pz -0.030654 -0.096964 -0.025027 -0.063153 0.074577 -0.005672 22H 1px 0.062113 -0.014371 0.022480 0.001690 -0.007590 -0.067750 22H 1py 0.042531 0.033695 0.017617 0.025905 -0.056439 -0.041530 23H 1s -0.011154 0.004203 0.004336 -0.006461 0.005991 -0.019656 23H 2s 0.867197 -0.228836 -0.506503 -0.061723 0.481297 0.276294 23H 3s -0.641230 0.290929 0.195577 0.288582 -1.004097 -0.640950 23H 1pz 0.031193 0.025158 -0.020351 0.003559 0.006827 0.040555 23H 1px -0.043377 -0.027810 0.015776 0.006815 -0.089692 -0.069403 23H 1py -0.155642 0.082077 0.100488 0.050211 -0.080213 -0.053413 24H 1s -0.001652 0.022452 -0.002488 -0.009681 0.006753 0.001872 24H 2s -0.750638 -1.055382 0.572079 0.051302 0.376882 0.348817 24H 3s 0.251364 0.700882 -0.299249 0.278902 -1.005784 -0.642691 24H 1pz 0.071826 0.144332 -0.070965 -0.012928 -0.048972 -0.036310 24H 1px 0.039079 0.133021 -0.048599 0.035214 -0.080128 -0.074943 24H 1py -0.076356 -0.035684 0.068205 -0.008306 0.077324 0.025356 25H 1s -0.015619 0.008739 0.005065 0.020930 -0.008451 -0.015464 25H 2s 0.414885 -0.116994 -0.128451 -0.160828 0.406499 0.321845 25H 3s -0.361967 0.321712 0.014937 0.387341 -0.871594 -0.525783 25H 1pz -0.053996 0.028048 0.007327 0.018205 -0.088925 -0.044069 25H 1px 0.043241 -0.029554 -0.010154 -0.010608 0.052184 0.028768 25H 1py -0.042161 -0.047222 0.014293 -0.030888 -0.029208 -0.054114 26O 1s -0.004291 -0.004303 -0.004275 0.001288 0.002919 0.004951 26O 2s -0.011052 -0.009812 -0.009550 0.004192 0.010700 0.012753 26O 3s 0.026390 -0.010721 -0.020578 -0.039325 -0.102225 -0.009569 26O 4s 0.110620 0.310481 0.395590 0.157596 0.410754 -0.244413 26O 5s -0.457480 -0.036737 0.139580 0.534057 -0.375548 -0.947547 26O 1pz -0.002110 0.020109 0.000549 0.025976 -0.011443 -0.024368 26O 1px -0.018169 -0.028016 -0.047125 -0.018480 0.018414 0.044616 26O 1py 0.027855 -0.004978 0.027966 -0.002871 0.021545 -0.032408 26O 2pz -0.016144 -0.025435 -0.075600 0.002561 0.026453 0.027560 26O 2px 0.019178 -0.201297 -0.284138 -0.241916 -0.212203 0.259065 26O 2py 0.078482 -0.101273 -0.088242 -0.084676 -0.076049 0.131241 26O 3pz 0.070953 0.547136 0.624094 0.190897 -0.325161 -0.333549 26O 3px 0.165768 0.270644 0.332569 0.479239 -0.098485 -0.128187 26O 3py 0.060678 0.540968 0.316262 0.238991 -0.304199 -0.159244 26O 1dz2 -0.003255 0.001550 0.000149 0.000799 0.001701 -0.001063 26O 1dxz -0.003295 0.002603 0.000190 0.001744 0.004340 -0.001360 26O 1dyz -0.001646 0.001123 0.003125 0.002758 0.005058 -0.001788 26O 1dx2y2 -0.003322 -0.002090 -0.006155 -0.000473 -0.002580 0.002254 26O 1dxy 0.003602 0.000182 0.002003 0.000948 0.001921 0.000710 26O 2dz2 0.090623 -0.027885 0.101280 -0.100604 0.002517 -0.107990 26O 2dxz -0.011323 -0.002102 0.037357 0.067995 0.085548 0.021214 26O 2dyz -0.020338 -0.015304 -0.094375 -0.026389 -0.077943 0.098967 26O 2dx2y2 -0.028994 -0.006307 0.049291 -0.086391 0.067125 -0.097883 26O 2dxy 0.038688 -0.013490 0.077111 0.043421 0.148408 -0.117771 26O 1f0 0.002119 -0.000908 0.002974 0.000695 0.001406 -0.000540 26O 1f+1 -0.003552 -0.000820 -0.000483 0.005654 0.007949 -0.001315 26O 1f-1 -0.002670 -0.000563 -0.003659 0.000665 0.004057 0.001163 26O 1f+2 -0.005066 0.003214 -0.001740 -0.002175 -0.002015 -0.001464 26O 1f-2 -0.001106 -0.001156 -0.002740 0.000999 0.000715 0.000201 26O 1f+3 0.007672 0.001053 0.009382 0.000695 0.001938 0.001451 26O 1f-3 -0.007225 0.000160 -0.002563 0.006058 0.010894 -0.005044 27O 1s 0.003857 -0.003342 0.000393 -0.003922 -0.000303 -0.007022 27O 2s 0.009540 -0.006826 0.001819 -0.010370 -0.003850 -0.019006 27O 3s -0.000982 -0.023008 -0.011371 0.033198 0.086460 0.049661 27O 4s -0.206320 0.375819 0.084934 0.118417 -0.464703 0.093623 27O 5s -0.408704 -0.460913 -0.649038 -1.052813 0.198198 1.281558 27O 1pz -0.008068 0.022945 0.011793 -0.001082 -0.002652 0.020586 27O 1px 0.025992 -0.032202 -0.003048 -0.055349 -0.010418 -0.041403 27O 1py 0.029855 -0.002331 0.042598 -0.020345 0.017156 -0.053954 27O 2pz 0.004701 0.045979 0.034726 -0.010744 -0.041315 0.000447 27O 2px 0.204457 -0.202132 0.050670 0.010828 0.248732 -0.167014 27O 2py -0.076470 0.036056 0.052790 -0.032602 -0.021417 0.064404 27O 3pz -0.313833 0.228876 -0.065494 -0.090578 0.167080 0.262171 27O 3px -0.040849 0.865997 0.443422 0.932397 0.407153 -0.389899 27O 3py 0.409942 -0.440147 -0.312508 -0.193650 -0.341414 -0.159065 27O 1dz2 -0.001886 -0.001046 0.000011 0.000041 -0.000573 0.003671 27O 1dxz -0.002067 0.004778 0.004481 -0.003157 -0.002017 -0.002122 27O 1dyz 0.000350 -0.002409 -0.002031 -0.001556 0.002648 0.000453 27O 1dx2y2 0.002147 0.000600 0.003623 -0.001828 0.004433 -0.004106 27O 1dxy -0.000192 -0.001650 0.000857 -0.000883 0.002087 0.006690 27O 2dz2 -0.003706 -0.039327 -0.062456 0.078668 0.033698 0.031154 27O 2dxz -0.030386 -0.004816 0.040592 0.027364 0.000753 -0.085866 27O 2dyz -0.057924 -0.074872 0.017952 -0.080205 -0.038069 -0.049883 27O 2dx2y2 -0.051345 -0.031198 -0.135631 -0.029421 -0.147494 0.124946 27O 2dxy -0.004846 0.038347 0.043727 0.017683 0.102255 -0.006048 27O 1f0 0.002472 -0.001810 -0.005329 0.004655 0.002556 -0.001895 27O 1f+1 -0.000879 -0.001476 -0.004982 -0.003505 -0.005911 -0.002520 27O 1f-1 0.000547 -0.000819 -0.001723 0.002649 0.001278 0.000609 27O 1f+2 -0.003702 0.003277 0.005889 -0.001333 -0.002966 0.005241 27O 1f-2 -0.000598 0.000862 -0.003702 0.002931 0.001414 0.002381 27O 1f+3 -0.000446 -0.004167 -0.009714 -0.004029 -0.008558 -0.002326 27O 1f-3 0.001057 -0.000339 -0.004403 0.006748 0.003830 0.002397 28O 1s 0.002134 0.006271 0.005185 0.003963 0.003588 -0.002180 28O 2s 0.006416 0.014461 0.012671 0.010234 0.011002 -0.004089 28O 3s -0.028286 -0.001245 -0.011232 -0.023449 -0.065142 -0.029745 28O 4s 0.054711 -0.401040 -0.269048 -0.170996 0.220601 0.303302 28O 5s -0.087238 1.120760 0.382582 0.630815 -1.316626 -0.233531 28O 1pz -0.016246 0.010216 0.014515 0.023780 0.005419 -0.004654 28O 1px -0.004524 -0.029475 -0.041304 -0.051925 -0.030682 0.009253 28O 1py -0.021783 -0.017881 -0.036064 -0.007086 -0.036190 0.041871 28O 2pz -0.049815 0.023986 0.059394 0.054348 0.023981 -0.071699 28O 2px -0.003102 -0.113337 -0.144710 -0.040165 0.022476 0.109148 28O 2py -0.000600 -0.034886 -0.002210 0.028134 0.013933 0.015189 28O 3pz 0.073974 -0.835970 -0.677008 -0.548935 -0.125702 -0.114911 28O 3px -0.231824 0.715899 0.352201 0.572515 -0.302976 0.277664 28O 3py 0.057737 -0.196940 -0.192737 -0.186005 -0.138621 -0.132848 28O 1dz2 -0.003039 -0.002857 -0.003753 0.000883 0.007228 -0.000402 28O 1dxz 0.000545 0.002947 0.000750 -0.002824 -0.003525 0.003518 28O 1dyz 0.002153 -0.001247 -0.001400 -0.000976 0.004130 0.003844 28O 1dx2y2 0.001481 -0.000397 0.001933 -0.000286 -0.000711 -0.004070 28O 1dxy -0.001225 0.001646 -0.000005 -0.002010 -0.001460 -0.000323 28O 2dz2 0.009550 -0.038259 -0.012428 -0.036899 -0.000021 0.090392 28O 2dxz 0.007208 -0.069196 -0.035631 -0.049585 -0.099048 0.011223 28O 2dyz 0.038565 -0.049281 -0.045034 0.012037 -0.010914 -0.025184 28O 2dx2y2 -0.004970 0.039731 -0.029642 0.000117 -0.144084 0.149973 28O 2dxy 0.043796 -0.057101 0.019026 -0.038433 -0.023893 -0.121138 28O 1f0 -0.002050 0.002105 0.000245 0.001762 0.003243 0.000099 28O 1f+1 0.006687 0.001685 0.007351 0.003911 0.002375 0.000888 28O 1f-1 0.000154 -0.000311 0.002238 0.002856 0.001533 0.001043 28O 1f+2 0.001387 -0.003659 -0.001998 -0.005700 -0.005571 -0.001690 28O 1f-2 -0.005876 0.000318 -0.004483 0.002659 0.002768 -0.003000 28O 1f+3 0.001854 -0.002102 0.001174 -0.001741 -0.000748 -0.002560 28O 1f-3 -0.005311 0.000908 -0.003685 0.001439 0.004071 -0.003732 29O 1s -0.002309 0.004330 0.002986 0.008129 0.003863 -0.008709 29O 2s -0.005852 0.010460 0.006641 0.021023 0.009165 -0.020820 29O 3s 0.011099 -0.007665 0.007308 -0.050669 -0.000848 0.002539 29O 4s 0.103876 -0.208561 -0.231559 -0.369186 -0.258563 0.570891 29O 5s -0.435293 0.598415 0.696329 1.856927 0.764389 -1.638676 29O 1pz 0.006080 -0.011982 -0.008727 -0.002223 0.001837 0.006223 29O 1px -0.001909 0.008932 0.006279 0.016255 0.005465 -0.004757 29O 1py 0.001735 -0.012991 -0.003385 0.022018 -0.010748 0.027510 29O 2pz 0.021398 0.006397 -0.004241 -0.042448 -0.066894 0.025601 29O 2px -0.018630 0.040766 0.035689 0.085451 0.023269 -0.080190 29O 2py 0.011068 -0.023990 0.006243 -0.055202 0.006867 -0.010637 29O 3pz -0.130893 0.261342 0.045025 0.094557 0.017780 -0.125090 29O 3px 0.110235 -0.433278 -0.205533 -0.469831 -0.234769 0.470899 29O 3py 0.071104 0.182910 -0.188690 -0.342960 -0.239373 0.480410 29O 1dz2 -0.000642 -0.000557 -0.000240 0.001483 -0.000505 0.000139 29O 1dxz 0.000152 -0.002140 -0.000274 0.003922 -0.000085 0.000833 29O 1dyz 0.000087 0.000453 -0.000263 -0.000635 -0.000387 0.000941 29O 1dx2y2 0.000575 -0.000183 0.000589 -0.004643 0.001150 -0.001209 29O 1dxy -0.000355 -0.001333 0.001225 0.002182 0.001229 -0.001733 29O 2dz2 -0.008422 -0.049312 0.050866 0.071065 0.100618 -0.145260 29O 2dxz -0.025278 -0.033516 0.006180 0.110919 -0.010126 0.013702 29O 2dyz -0.003209 -0.034693 -0.014892 -0.027852 0.056177 -0.005133 29O 2dx2y2 0.002967 -0.006334 0.013853 -0.100314 0.080927 -0.172636 29O 2dxy -0.008847 -0.006120 -0.009417 0.099383 -0.046265 0.126815 29O 1f0 0.001635 -0.000319 0.000683 -0.009461 0.000834 -0.002982 29O 1f+1 -0.000620 0.000734 -0.000480 0.004621 -0.001408 0.001678 29O 1f-1 0.001135 0.000979 0.000273 -0.006157 -0.002274 -0.000434 29O 1f+2 -0.001207 0.000048 -0.000617 0.007149 0.000032 0.001935 29O 1f-2 0.000734 -0.001287 0.000211 -0.004489 0.003619 -0.001708 29O 1f+3 -0.000792 0.001210 -0.000409 0.005894 -0.001133 0.000336 29O 1f-3 -0.000318 0.001197 -0.000020 0.000093 -0.000877 -0.001071 30O 1s -0.006264 0.001889 -0.000841 -0.000770 -0.004888 0.001466 30O 2s -0.015658 0.003098 -0.001915 -0.002836 -0.013752 0.001241 30O 3s 0.029815 0.040381 -0.011297 0.039723 0.042037 0.080637 30O 4s 0.218097 -0.352281 0.098075 -0.195654 0.001178 -0.545756 30O 5s -0.928929 -0.277930 0.712886 -0.770609 1.630616 -0.475827 30O 1pz 0.000848 -0.003347 0.002276 -0.002173 0.000866 -0.004571 30O 1px 0.031488 -0.027680 0.006764 -0.029474 0.049959 -0.015073 30O 1py -0.017990 -0.009410 -0.017482 -0.006458 -0.030301 0.043704 30O 2pz 0.030600 0.155361 -0.044898 0.148738 -0.114211 0.213692 30O 2px 0.040539 -0.223900 0.079603 -0.210208 0.136510 -0.345497 30O 2py -0.068188 -0.140125 0.091490 -0.175572 0.115227 -0.189453 30O 3pz 0.306163 -0.285084 -0.126116 -0.420901 0.099301 0.050155 30O 3px -0.512143 0.037381 0.216911 0.079944 0.282104 -0.049407 30O 3py -0.370758 0.514906 0.247176 0.466992 -0.107399 -0.195026 30O 1dz2 -0.000538 0.001057 0.002683 -0.001342 -0.000759 0.000626 30O 1dxz -0.001061 -0.002524 -0.000298 0.000325 0.001418 -0.002856 30O 1dyz -0.000924 0.002479 0.001160 0.002215 0.004409 0.004250 30O 1dx2y2 -0.000877 0.004256 0.001863 0.002003 0.001605 0.007790 30O 1dxy 0.002926 0.000635 -0.002760 0.002207 -0.001672 0.001033 30O 2dz2 0.010764 0.046948 -0.047255 -0.034716 -0.050402 -0.015705 30O 2dxz 0.060234 0.027610 -0.029440 0.020888 -0.010429 0.036760 30O 2dyz -0.029091 0.003576 -0.022381 -0.056054 -0.039993 0.092468 30O 2dx2y2 -0.046856 -0.026233 0.017037 0.093086 0.122902 -0.074638 30O 2dxy -0.057885 -0.009260 0.064725 -0.119014 0.018917 -0.212026 30O 1f0 -0.003242 -0.003005 0.002039 -0.003424 0.003094 -0.008094 30O 1f+1 0.003194 -0.001922 -0.008076 0.001231 0.000359 -0.004249 30O 1f-1 0.000098 -0.002922 -0.003360 0.001780 0.001403 -0.002165 30O 1f+2 0.000057 0.001968 0.002484 -0.000003 0.001064 0.005063 30O 1f-2 0.003494 0.003139 -0.000534 0.003442 -0.000453 0.011310 30O 1f+3 -0.001406 0.002877 0.004845 -0.003261 -0.002419 -0.000480 30O 1f-3 0.003982 0.000416 -0.007096 0.007055 -0.000188 0.009624 31O 1s 0.006355 -0.000818 -0.001713 0.000628 -0.004796 0.001404 31O 2s 0.015840 -0.000982 -0.003011 0.002471 -0.013499 0.001088 31O 3s -0.028414 -0.021830 -0.037545 -0.039440 0.041504 0.080466 31O 4s -0.231704 0.192678 0.311531 0.201932 -0.001390 -0.541867 31O 5s 0.881656 -0.263526 0.747367 0.817669 1.621997 -0.449773 31O 1pz 0.000172 0.000987 -0.003225 -0.002163 -0.000957 0.005018 31O 1px 0.032789 -0.015158 -0.023545 -0.031290 -0.049467 0.015345 31O 1py -0.017575 -0.020487 0.005171 -0.006478 0.029888 -0.043466 31O 2pz 0.023794 0.082864 0.142657 0.154273 0.112830 -0.210568 31O 2px 0.049378 -0.106480 -0.213650 -0.216753 -0.134777 0.342793 31O 2py -0.059236 -0.041354 -0.167280 -0.180116 -0.113868 0.186672 31O 3pz 0.307421 -0.278996 -0.096905 -0.419983 -0.095071 -0.047140 31O 3px -0.503067 0.170627 -0.141198 0.071577 -0.278085 0.042283 31O 3py -0.373168 0.530760 0.169904 0.467733 0.106973 0.186483 31O 1dz2 0.000490 -0.002702 0.001160 0.001301 -0.000794 0.000601 31O 1dxz 0.001034 0.002045 0.001561 -0.000234 0.001408 -0.002777 31O 1dyz 0.000927 -0.002523 -0.000895 -0.002165 0.004390 0.004346 31O 1dx2y2 0.000912 -0.004271 -0.001612 -0.002028 0.001627 0.007856 31O 1dxy -0.002784 0.001368 -0.002551 -0.002269 -0.001621 0.000949 31O 2dz2 -0.010707 0.001414 -0.064019 0.033392 -0.050458 -0.018172 31O 2dxz -0.059046 0.001671 -0.040677 -0.024049 -0.010633 0.037382 31O 2dyz 0.031154 0.009988 -0.018367 0.055670 -0.041512 0.092590 31O 2dx2y2 0.045686 0.007821 0.031255 -0.092346 0.124548 -0.074903 31O 2dxy 0.054814 -0.038692 0.056477 0.119640 0.016021 -0.209792 31O 1f0 -0.003110 -0.000660 -0.003660 -0.003533 -0.003093 0.008068 31O 1f+1 0.003019 -0.007038 0.004500 0.001108 -0.000416 0.004256 31O 1f-1 0.000020 -0.004337 0.000451 0.001700 -0.001432 0.002120 31O 1f+2 0.000118 0.003084 -0.000431 0.000063 -0.001059 -0.005029 31O 1f-2 0.003410 0.001850 0.002696 0.003525 0.000467 -0.011254 31O 1f+3 -0.001275 0.005349 -0.001575 -0.003181 0.002462 0.000454 31O 1f-3 0.003750 -0.004710 0.005556 0.007072 0.000081 -0.009490 32O 1s 0.002298 -0.005271 -0.000990 -0.008049 0.003898 -0.008730 32O 2s 0.005869 -0.012305 -0.002818 -0.020805 0.009268 -0.020859 32O 3s -0.012165 -0.000294 0.011133 0.050077 -0.001454 0.002320 32O 4s -0.098156 0.319371 -0.014577 0.366793 -0.259600 0.574349 32O 5s 0.427367 -0.932322 0.055118 -1.848184 0.779140 -1.651833 32O 1pz 0.005691 -0.014532 -0.001982 -0.002545 -0.002020 -0.005557 32O 1px -0.001412 0.011129 0.001839 0.015939 -0.005588 0.005006 32O 1py 0.001878 -0.012842 -0.006750 0.022335 0.010061 -0.027147 32O 2pz 0.022221 -0.002377 0.006095 -0.038091 0.066819 -0.025715 32O 2px -0.018571 0.052857 0.003567 0.086275 -0.024454 0.080417 32O 2py 0.012691 -0.010894 -0.021290 -0.055386 -0.004775 0.010904 32O 3pz -0.128312 0.214182 0.142623 0.096521 -0.018259 0.130302 32O 3px 0.108704 -0.459476 -0.161250 -0.465020 0.234503 -0.470000 32O 3py 0.064447 -0.005362 0.256634 -0.342695 0.246626 -0.485968 32O 1dz2 0.000632 0.000603 0.000222 -0.001487 -0.000466 0.000123 32O 1dxz -0.000137 0.001660 0.001183 -0.003955 0.000030 0.000797 32O 1dyz -0.000076 -0.000104 -0.000454 0.000612 -0.000366 0.000931 32O 1dx2y2 -0.000527 -0.000311 0.000578 0.004627 0.001112 -0.001144 32O 1dxy 0.000327 0.000106 0.001794 -0.002197 0.001308 -0.001771 32O 2dz2 0.009734 -0.004188 0.066809 -0.070037 0.098787 -0.145507 32O 2dxz 0.025131 0.021467 0.027039 -0.110670 -0.007102 0.010598 32O 2dyz 0.005962 0.029537 0.015864 0.027105 0.061562 -0.014328 32O 2dx2y2 -0.003860 -0.008150 0.014675 0.102164 0.079379 -0.173961 32O 2dxy 0.008867 0.010130 -0.002107 -0.100923 -0.043890 0.122781 32O 1f0 0.001662 0.000294 -0.000822 -0.009029 -0.000807 0.002923 32O 1f+1 -0.000716 0.000092 0.000924 0.004983 0.001467 -0.001774 32O 1f-1 0.001350 0.000768 0.000322 -0.006320 0.002307 0.000496 32O 1f+2 -0.001352 -0.000350 0.000613 0.007358 -0.000149 -0.001896 32O 1f-2 0.000726 -0.000475 -0.000999 -0.004424 -0.003517 0.001620 32O 1f+3 -0.000781 0.000424 0.001141 0.005805 0.000959 -0.000313 32O 1f-3 -0.000280 0.000724 0.000784 0.000031 0.000872 0.001126 33O 1s -0.002166 -0.008229 -0.000782 -0.004015 0.003535 -0.002244 33O 2s -0.006474 -0.019595 -0.001378 -0.010318 0.010911 -0.004332 33O 3s 0.027565 0.012249 -0.004767 0.022210 -0.066014 -0.027753 33O 4s -0.048737 0.464530 0.081776 0.181971 0.227836 0.296631 33O 5s 0.124176 -1.162150 -0.560585 -0.657242 -1.315172 -0.236316 33O 1pz -0.015403 0.017441 -0.003340 0.022948 -0.005540 0.003875 33O 1px -0.004849 -0.050044 0.007883 -0.052700 0.030351 -0.009130 33O 1py -0.022587 -0.038362 0.012957 -0.006847 0.035751 -0.041582 33O 2pz -0.044167 0.049837 -0.032026 0.056599 -0.021773 0.069732 33O 2px -0.006896 -0.172747 0.029095 -0.045924 -0.027016 -0.105232 33O 2py 0.000271 -0.029042 -0.023704 0.028484 -0.014126 -0.015809 33O 3pz 0.077835 -1.123289 -0.122656 -0.555322 0.115349 0.119231 33O 3px -0.241935 0.784081 0.263320 0.581056 0.302847 -0.277536 33O 3py 0.061393 -0.298294 -0.008030 -0.190568 0.130973 0.135985 33O 1dz2 0.002935 0.004781 -0.000585 -0.000645 0.007306 -0.000480 33O 1dxz -0.000456 -0.002848 -0.001557 0.002770 -0.003605 0.003557 33O 1dyz -0.002149 0.001994 -0.000150 0.001051 0.004175 0.003857 33O 1dx2y2 -0.001482 -0.001125 0.001624 0.000207 -0.000761 -0.004044 33O 1dxy 0.001261 -0.001390 -0.001145 0.002005 -0.001557 -0.000324 33O 2dz2 -0.009863 0.035634 0.019066 0.036767 0.001749 0.085842 33O 2dxz -0.008037 0.081154 0.025807 0.044960 -0.099217 0.011099 33O 2dyz -0.037246 0.065760 0.001477 -0.012806 -0.011131 -0.023876 33O 2dx2y2 0.007998 -0.011616 -0.050870 -0.002090 -0.143020 0.146429 33O 2dxy -0.045032 0.025468 0.053409 0.038930 -0.025698 -0.121886 33O 1f0 -0.002008 0.001948 0.001357 0.001607 -0.003272 0.000005 33O 1f+1 0.006679 0.006606 -0.003759 0.003961 -0.002412 -0.000876 33O 1f-1 0.000159 0.001373 -0.001773 0.002928 -0.001570 -0.001022 33O 1f+2 0.001434 -0.004475 -0.001381 -0.005532 0.005665 0.001638 33O 1f-2 -0.005822 -0.002711 0.003361 0.002513 -0.002843 0.003145 33O 1f+3 0.001886 -0.000874 -0.002373 -0.001621 0.000803 0.002512 33O 1f-3 -0.005345 -0.001680 0.003267 0.001317 -0.004119 0.003796 34O 1s -0.003936 0.002073 0.002521 0.003969 -0.000361 -0.007129 34O 2s -0.009767 0.003568 0.005888 0.010416 -0.004007 -0.019293 34O 3s 0.002041 0.022410 0.006467 -0.031571 0.087098 0.050254 34O 4s 0.205276 -0.313062 -0.188816 -0.130626 -0.464480 0.096577 34O 5s 0.382879 0.843336 -0.104106 1.075018 0.183216 1.294707 34O 1pz -0.007655 0.024356 0.006613 -0.000397 0.002969 -0.021427 34O 1px 0.026292 -0.023406 -0.019469 -0.055599 0.011554 0.040466 34O 1py 0.031431 0.027119 -0.032242 -0.020746 -0.016441 0.053871 34O 2pz 0.005070 0.058340 0.006409 -0.009284 0.041606 -0.000592 34O 2px 0.203774 -0.097283 -0.166447 0.005403 -0.249810 0.168369 34O 2py -0.073803 0.057446 -0.016766 -0.031946 0.022633 -0.064926 34O 3pz -0.321897 0.121085 0.199896 -0.092660 -0.165665 -0.261843 34O 3px -0.057477 0.953288 0.303147 0.936404 -0.417821 0.398282 34O 3py 0.418976 -0.547496 -0.077626 -0.198320 0.344764 0.156423 34O 1dz2 0.001850 0.000838 0.000796 -0.000071 -0.000567 0.003710 34O 1dxz 0.002026 -0.006568 0.000021 0.003038 -0.002105 -0.002107 34O 1dyz -0.000309 0.002985 0.000171 0.001625 0.002681 0.000428 34O 1dx2y2 -0.002224 -0.003095 0.002095 0.001882 0.004411 -0.004085 34O 1dxy 0.000041 0.000750 0.001807 0.000958 0.002047 0.006758 34O 2dz2 0.005823 0.067944 -0.019843 -0.074741 0.036728 0.027487 34O 2dxz 0.029559 -0.024768 0.032822 -0.028359 0.001785 -0.086865 34O 2dyz 0.056770 0.040953 0.067234 0.078517 -0.039487 -0.048914 34O 2dx2y2 0.052533 0.118807 -0.072443 0.028455 -0.146682 0.121387 34O 2dxy 0.004585 -0.059704 0.003774 -0.017062 0.101481 -0.004186 34O 1f0 0.002334 -0.005049 0.002694 0.004523 -0.002618 0.001925 34O 1f+1 -0.000894 -0.004586 0.002431 -0.003434 0.005960 0.002536 34O 1f-1 0.000526 -0.001861 0.000716 0.002613 -0.001316 -0.000598 34O 1f+2 -0.003582 0.006415 -0.002075 -0.001154 0.003049 -0.005220 34O 1f-2 -0.000761 -0.001963 0.003282 0.002896 -0.001439 -0.002337 34O 1f+3 -0.000524 -0.009826 0.003968 -0.003988 0.008560 0.002349 34O 1f-3 0.000795 -0.003149 0.003088 0.006650 -0.003935 -0.002399 35O 1s 0.004284 0.006118 0.000065 -0.001163 0.003125 0.004907 35O 2s 0.011058 0.013781 0.000276 -0.003853 0.011209 0.012679 35O 3s -0.026777 0.023099 -0.006180 0.038558 -0.102914 -0.010415 35O 4s -0.107074 -0.512258 0.051886 -0.161670 0.402602 -0.238544 35O 5s 0.465847 -0.089129 0.099185 -0.571317 -0.362586 -0.930886 35O 1pz -0.001878 0.012693 0.014086 0.026836 0.011662 0.024148 35O 1px -0.017607 -0.055977 0.012611 -0.020150 -0.019169 -0.044667 35O 1py 0.029193 0.014656 -0.023939 -0.003513 -0.021243 0.032362 35O 2pz -0.014331 -0.075288 0.033282 -0.000154 -0.026632 -0.026609 35O 2px 0.019477 -0.350465 0.052633 -0.248388 0.210825 -0.254457 35O 2py 0.080488 -0.140179 -0.012228 -0.087755 0.075898 -0.130276 35O 3pz 0.071978 0.840082 -0.056405 0.202297 0.331921 0.332776 35O 3px 0.169070 0.434309 -0.046782 0.477877 0.096523 0.141148 35O 3py 0.054782 0.619748 0.157909 0.247296 0.306390 0.164247 35O 1dz2 0.003317 -0.001340 -0.001029 -0.000850 0.001639 -0.000974 35O 1dxz 0.003256 -0.002059 -0.001669 -0.001655 0.004334 -0.001415 35O 1dyz 0.001635 -0.003206 0.001366 -0.002749 0.005074 -0.001805 35O 1dx2y2 0.003358 0.005895 -0.002810 0.000557 -0.002516 0.002142 35O 1dxy -0.003616 -0.001561 0.001266 -0.000909 0.001969 0.000682 35O 2dz2 -0.092732 -0.053835 0.093381 0.102157 0.001345 -0.110375 35O 2dxz 0.012191 -0.027540 0.025076 -0.067195 0.086617 0.018777 35O 2dyz 0.022488 0.077232 -0.055082 0.025317 -0.078362 0.099803 35O 2dx2y2 0.027158 -0.028539 0.041771 0.085903 0.066409 -0.097360 35O 2dxy -0.040642 -0.044509 0.062523 -0.042406 0.148522 -0.116053 35O 1f0 0.002101 0.001414 -0.002673 0.000751 -0.001423 0.000519 35O 1f+1 -0.003485 -0.001088 -0.000159 0.005595 -0.008061 0.001281 35O 1f-1 -0.002640 -0.003026 0.002167 0.000514 -0.004093 -0.001134 35O 1f+2 -0.005119 0.001101 0.003349 -0.002157 0.002069 0.001492 35O 1f-2 -0.001122 -0.002761 0.001135 0.000930 -0.000741 -0.000137 35O 1f+3 0.007801 0.007093 -0.005849 0.000851 -0.001888 -0.001652 35O 1f-3 -0.007070 -0.001781 0.001912 0.005894 -0.011033 0.004990 318 319 320 321 322 323 1.51266 1.52221 1.52361 1.52922 1.53272 1.53630 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s -0.000723 -0.000559 -0.000304 -0.000423 0.000581 0.000751 0Rh 2s 0.007680 0.002075 0.004578 0.001891 -0.001586 -0.002803 0Rh 3s 0.000476 -0.002006 0.001026 -0.001317 0.002435 0.002685 0Rh 4s -0.037942 -0.009797 -0.022801 -0.009017 0.007341 0.013242 0Rh 5s 0.076909 0.007319 0.050695 0.009410 -0.000531 -0.009906 0Rh 6s -0.090615 0.032328 -0.075141 0.019739 -0.046471 -0.045152 0Rh 7s 0.460587 -0.012072 0.415319 -0.117643 0.446883 0.118931 0Rh 8s 0.072090 0.208195 0.030926 0.090091 -0.116073 -0.043370 0Rh 1pz -0.008378 0.001892 0.006453 -0.003867 -0.005041 -0.000351 0Rh 1px 0.002591 -0.006807 0.004778 -0.001792 -0.002328 0.003277 0Rh 1py -0.003544 0.002327 -0.002010 0.000839 -0.002126 -0.000518 0Rh 2pz 0.028190 -0.006389 -0.023281 0.013026 0.016588 0.001107 0Rh 2px -0.006769 0.022830 -0.014943 0.005932 0.008595 -0.010852 0Rh 2py 0.012675 -0.007757 0.007333 -0.002914 0.007604 0.001737 0Rh 3pz 0.000348 0.000580 0.032197 -0.000188 0.007746 0.001309 0Rh 3px -0.040822 0.001339 -0.024276 0.002173 -0.016277 -0.003837 0Rh 3py -0.015277 -0.001907 -0.011691 0.001967 -0.009331 0.000414 0Rh 4pz -0.167533 0.034902 0.011293 -0.076333 -0.126563 -0.010338 0Rh 4px 0.201432 -0.138966 0.186357 -0.044224 0.016506 0.080786 0Rh 4py -0.015654 0.055592 0.002262 0.008917 -0.007501 -0.013523 0Rh 5pz 0.245359 -0.053529 0.042604 0.131400 0.194573 0.011726 0Rh 5px -0.369544 0.231143 -0.326492 0.081099 -0.061848 -0.151703 0Rh 5py 0.002683 -0.105993 -0.020376 -0.009682 -0.011810 0.032013 0Rh 6pz 0.935084 0.104774 -2.062033 -0.259893 0.439763 -0.013773 0Rh 6px 1.103750 -0.904242 0.226090 -0.285550 0.514164 0.905813 0Rh 6py 0.807578 0.242686 0.525832 -0.119378 0.752421 -0.150783 0Rh 1dz2 0.001476 0.003622 -0.003079 0.005319 -0.003642 0.003011 0Rh 1dxz -0.004000 0.003902 0.009421 0.002714 0.000037 0.000519 0Rh 1dyz -0.000712 -0.000182 0.003222 -0.009310 -0.003736 0.004895 0Rh 1dx2y2 -0.006757 -0.002220 0.009701 0.004961 0.004807 0.003712 0Rh 1dxy -0.004795 0.000325 0.000049 -0.000561 -0.000142 0.004817 0Rh 2dz2 -0.000440 -0.000679 0.001376 -0.000621 0.001162 -0.000242 0Rh 2dxz 0.001131 -0.000988 -0.001375 -0.000921 -0.000398 0.000149 0Rh 2dyz -0.001249 0.000289 0.000773 0.002017 -0.000095 -0.000025 0Rh 2dx2y2 0.000303 0.000644 -0.002341 -0.000914 -0.001704 -0.000557 0Rh 2dxy -0.000040 0.000233 0.000350 0.000138 0.000321 -0.000422 0Rh 3dz2 -0.001483 -0.005410 0.001031 -0.009761 0.003435 -0.005920 0Rh 3dxz 0.004228 -0.004711 -0.015824 -0.002335 0.001544 -0.001867 0Rh 3dyz 0.006932 -0.000787 -0.010667 0.012807 0.009008 -0.011219 0Rh 3dx2y2 0.014328 0.002262 -0.012207 -0.007521 -0.003775 -0.006209 0Rh 3dxy 0.011210 -0.001791 -0.001627 0.000712 -0.001081 -0.009331 0Rh 4dz2 -0.007839 -0.012672 0.024384 -0.011677 0.018557 -0.006656 0Rh 4dxz 0.022914 -0.017522 -0.029736 -0.014937 -0.004354 0.001206 0Rh 4dyz -0.015156 0.003991 0.006121 0.037620 0.002533 -0.004799 0Rh 4dx2y2 0.009090 0.011309 -0.043235 -0.018266 -0.027703 -0.010195 0Rh 4dxy 0.004686 0.003103 0.004594 0.002035 0.005309 -0.009917 0Rh 5dz2 0.045225 0.032335 -0.125339 0.018434 -0.056720 0.043009 0Rh 5dxz -0.135328 0.049737 0.153574 0.044791 -0.002283 0.016485 0Rh 5dyz 0.049706 -0.020258 -0.010381 -0.165387 -0.009178 0.025177 0Rh 5dx2y2 -0.018306 -0.021892 0.175574 0.078156 0.101734 0.004156 0Rh 5dxy -0.034330 -0.003189 -0.025715 -0.004328 -0.034821 0.024647 0Rh 1f0 -0.028273 0.002016 0.023707 0.014244 -0.008643 0.008815 0Rh 1f+1 0.002699 0.015764 0.038151 0.044352 -0.002378 -0.015994 0Rh 1f-1 0.024571 -0.000212 -0.013946 -0.006315 -0.011726 0.009330 0Rh 1f+2 0.028763 0.010481 0.055689 -0.012755 0.039029 0.015562 0Rh 1f-2 0.037572 -0.012295 -0.006477 -0.006541 0.012402 -0.013721 0Rh 1f+3 0.033739 0.018207 0.021404 -0.005473 0.008821 -0.012084 0Rh 1f-3 -0.008278 -0.009096 0.022917 -0.005320 0.000953 0.015070 1Rh 1s -0.000726 0.000555 -0.000370 0.000391 0.000570 -0.000910 1Rh 2s 0.007687 -0.001917 0.004834 -0.001764 -0.001553 0.003481 1Rh 3s 0.000466 0.002079 0.000802 0.001211 0.002390 -0.003197 1Rh 4s -0.037976 0.009003 -0.024013 0.008416 0.007184 -0.016484 1Rh 5s 0.076926 -0.005347 0.051711 -0.008848 -0.000479 0.013335 1Rh 6s -0.090436 -0.035870 -0.071581 -0.018210 -0.045667 0.051477 1Rh 7s 0.445596 0.034417 0.421026 0.098557 0.447161 -0.201969 1Rh 8s 0.054728 -0.207692 0.062771 -0.084283 -0.112544 0.078891 1Rh 1pz 0.008561 0.001400 -0.006624 -0.004175 0.004798 -0.000584 1Rh 1px -0.003202 -0.007004 -0.003738 -0.001929 0.002485 0.002700 1Rh 1py 0.003514 0.002490 0.002034 0.000840 0.002126 -0.000595 1Rh 2pz -0.028802 -0.004636 0.023852 0.014062 -0.015780 0.001836 1Rh 2px 0.008832 0.023444 0.011452 0.006423 -0.009127 -0.008838 1Rh 2py -0.012570 -0.008328 -0.007419 -0.002922 -0.007604 0.002126 1Rh 3pz -0.000383 -0.001426 -0.032075 -0.000117 -0.007537 0.002445 1Rh 3px 0.040667 0.002432 0.024132 0.001540 0.016340 -0.005467 1Rh 3py 0.015200 -0.001484 0.011811 0.002025 0.009345 -0.002291 1Rh 4pz 0.171226 0.032409 -0.015063 -0.082657 0.121022 -0.019010 1Rh 4px -0.212781 -0.147060 -0.165403 -0.044545 -0.013514 0.075981 1Rh 4py 0.015389 0.057238 -0.002418 0.008852 0.007088 -0.005331 1Rh 5pz -0.251483 -0.053709 -0.036523 0.140558 -0.185337 0.026448 1Rh 5px 0.387373 0.245351 0.292206 0.080225 0.056113 -0.149434 1Rh 5py -0.002493 -0.107563 0.021605 -0.010176 0.014522 0.014288 1Rh 6pz -0.908344 0.249719 2.029537 -0.216069 -0.458038 -0.009447 1Rh 6px -1.162065 -0.898446 -0.100259 -0.259354 -0.469785 0.950246 1Rh 6py -0.816470 0.217362 -0.523394 -0.105136 -0.793491 0.001070 1Rh 1dz2 0.001311 -0.003847 -0.002710 -0.005346 -0.004009 -0.001612 1Rh 1dxz -0.004146 -0.003332 0.009747 -0.002783 -0.000237 0.000153 1Rh 1dyz -0.001187 0.000373 0.003383 0.009388 -0.003348 -0.004535 1Rh 1dx2y2 -0.006568 0.002941 0.009361 -0.005049 0.004206 -0.004841 1Rh 1dxy -0.004975 -0.000195 -0.000072 0.000228 0.000221 -0.004145 1Rh 2dz2 -0.000378 0.000795 0.001264 0.000603 0.001222 -0.000057 1Rh 2dxz 0.001173 0.000877 -0.001501 0.000946 -0.000318 -0.000215 1Rh 2dyz -0.001173 -0.000222 0.000740 -0.002016 -0.000205 0.000031 1Rh 2dx2y2 0.000234 -0.000798 -0.002221 0.000961 -0.001626 0.000924 1Rh 2dxy -0.000032 -0.000228 0.000362 -0.000093 0.000268 0.000068 1Rh 3dz2 -0.001374 0.005420 0.000666 0.009899 0.004036 0.003971 1Rh 3dxz 0.004381 0.003879 -0.016029 0.002393 0.001835 0.000599 1Rh 3dyz 0.007694 0.000065 -0.010890 -0.012987 0.008589 0.010363 1Rh 3dx2y2 0.014195 -0.003256 -0.011949 0.007526 -0.002714 0.007238 1Rh 3dxy 0.011595 0.001470 -0.001402 -0.000132 -0.001691 0.009300 1Rh 4dz2 -0.006784 0.014615 0.022496 0.011512 0.019681 0.001309 1Rh 4dxz 0.023629 0.015289 -0.031785 0.015255 -0.002961 -0.002737 1Rh 4dyz -0.013608 -0.003369 0.005466 -0.037692 0.000584 0.004562 1Rh 4dx2y2 0.007897 -0.014206 -0.041189 0.018952 -0.026174 0.016182 1Rh 4dxy 0.004926 -0.003164 0.004872 -0.001111 0.004233 0.004294 1Rh 5dz2 0.041464 -0.041795 -0.119946 -0.018760 -0.060823 -0.024090 1Rh 5dxz -0.136630 -0.038225 0.158617 -0.044400 -0.008403 -0.010647 1Rh 5dyz 0.043349 0.018982 -0.008101 0.165484 -0.000661 -0.024627 1Rh 5dx2y2 -0.014924 0.033536 0.170622 -0.080362 0.098595 -0.025784 1Rh 5dxy -0.035322 0.002958 -0.025488 0.000922 -0.030101 -0.000622 1Rh 1f0 0.028029 0.000697 -0.023581 0.013011 0.010667 0.010308 1Rh 1f+1 -0.002716 0.013345 -0.040272 0.043475 0.004776 -0.015477 1Rh 1f-1 -0.023987 0.001320 0.013918 -0.007298 0.012254 0.011072 1Rh 1f+2 -0.028017 0.007550 -0.056074 -0.011959 -0.038235 0.021801 1Rh 1f-2 -0.037750 -0.011058 0.006912 -0.006760 -0.011711 -0.010783 1Rh 1f+3 -0.033052 0.016847 -0.022796 -0.005187 -0.010606 -0.011733 1Rh 1f-3 0.009359 -0.010624 -0.023821 -0.005037 -0.000342 0.016162 2C 1s -0.034983 0.007961 -0.003033 -0.031552 -0.004785 -0.001318 2C 2s -0.108395 0.024332 -0.010112 -0.095991 -0.016058 -0.003698 2C 3s 1.316068 -0.270106 0.153268 1.043039 0.207419 0.039267 2C 4s -3.774953 0.682768 -0.447587 -2.589438 -0.620691 -0.100784 2C 5s 3.774229 -0.711090 1.211727 4.184222 0.160116 0.309316 2C 1pz -0.151169 -0.070546 -0.063468 -0.267786 -0.068588 -0.010693 2C 1px -0.105832 0.053541 0.021198 -0.167453 -0.043254 0.027423 2C 1py -0.253259 0.218028 0.035370 0.105409 0.064263 -0.017794 2C 2pz 0.261765 0.219284 0.079349 1.012199 0.110202 0.038282 2C 2px 0.135871 -0.202618 -0.010027 0.473126 0.033819 -0.022927 2C 2py 0.554504 -0.715787 -0.157872 -0.192017 -0.302055 0.073557 2C 3pz 0.054337 -0.187138 0.037121 0.055904 -0.161198 -0.011226 2C 3px -0.230838 0.114295 0.040161 -0.226097 -0.163599 0.051679 2C 3py -0.104245 0.346598 0.319074 0.507721 0.179441 0.057962 2C 1dz2 -0.001845 -0.007857 -0.004619 -0.004110 -0.002367 0.001785 2C 1dxz 0.006450 0.002329 -0.004078 -0.003389 0.004101 -0.004731 2C 1dyz 0.013478 0.000154 0.006715 0.003251 0.005071 0.000190 2C 1dx2y2 -0.005972 -0.004936 -0.003677 -0.000832 -0.002379 -0.001878 2C 1dxy 0.001105 0.003600 -0.002274 0.008550 0.006254 -0.003889 2C 2dz2 0.263473 -0.090639 -0.035969 0.145546 -0.006687 -0.039374 2C 2dxz 0.002233 -0.103681 0.130615 -0.128478 -0.162848 0.079352 2C 2dyz 0.257343 -0.137885 -0.080040 0.369700 0.018914 0.014029 2C 2dx2y2 0.012126 -0.102594 -0.040075 -0.189367 -0.025741 -0.047367 2C 2dxy -0.154598 0.161420 0.067893 0.216616 0.009936 0.054302 2C 1f0 -0.013839 -0.015005 -0.016814 -0.032933 -0.000104 -0.005354 2C 1f+1 -0.022233 0.009813 -0.003420 -0.001391 0.011862 -0.009208 2C 1f-1 -0.053814 0.013936 -0.009761 -0.032177 -0.010347 0.004413 2C 1f+2 0.069502 -0.016063 0.013020 0.046951 -0.003928 0.023203 2C 1f-2 -0.079098 0.010591 -0.000238 -0.068777 -0.023046 0.012631 2C 1f+3 0.056069 -0.022821 0.008389 0.038667 0.004098 -0.002727 2C 1f-3 0.018782 -0.002842 -0.004721 0.018363 -0.016727 0.024291 3C 1s -0.020799 -0.023451 -0.030798 -0.026321 0.000793 0.004067 3C 2s -0.064931 -0.071122 -0.095234 -0.079510 0.000900 0.012324 3C 3s 0.763260 0.780206 1.143617 0.867412 -0.003815 -0.135697 3C 4s -2.019509 -1.945188 -3.247846 -2.136303 -0.027636 0.325141 3C 5s 3.521759 2.990195 3.757912 3.998255 -0.452180 -0.542887 3C 1pz -0.073148 -0.016345 -0.168708 -0.194098 0.077811 -0.017856 3C 1px -0.030053 -0.023912 -0.164561 -0.282511 0.064403 -0.033669 3C 1py 0.106353 0.189056 0.141008 0.003783 0.022304 -0.061598 3C 2pz 0.205789 0.140008 0.360439 0.721881 -0.314940 0.008672 3C 2px 0.036730 0.081784 0.575086 0.956273 -0.242628 0.120204 3C 2py -0.245518 -0.724546 -0.221660 -0.188265 0.056856 0.239812 3C 3pz 0.318386 0.264067 0.008181 0.090750 0.166923 -0.089949 3C 3px 0.124065 0.087473 -0.084666 -0.263511 0.121119 -0.101077 3C 3py -0.153798 0.024561 -0.114048 -0.454832 0.205019 -0.046816 3C 1dz2 0.007722 0.004110 0.006498 0.006155 -0.000611 0.000892 3C 1dxz 0.001303 0.001168 -0.000459 -0.006057 0.002297 -0.004448 3C 1dyz -0.006960 -0.004446 -0.011035 -0.003311 -0.001751 -0.000817 3C 1dx2y2 0.000807 0.003613 -0.010240 -0.006441 0.002448 -0.002343 3C 1dxy -0.005656 -0.003748 0.000127 0.001029 -0.004113 0.001893 3C 2dz2 -0.006093 -0.074810 -0.036311 0.022763 0.026109 0.012895 3C 2dxz 0.034954 0.153623 0.052296 -0.146212 0.011119 -0.099886 3C 2dyz 0.012156 -0.225453 -0.098081 -0.157438 0.017340 0.062723 3C 2dx2y2 -0.165666 -0.166812 -0.146577 -0.374201 0.133605 -0.004084 3C 2dxy -0.091131 -0.119959 -0.276859 -0.272864 0.102619 0.019320 3C 1f0 -0.013164 -0.005950 -0.016078 -0.027784 0.009007 0.001606 3C 1f+1 -0.009226 -0.011057 -0.010425 -0.015527 -0.013297 0.000330 3C 1f-1 -0.015758 -0.028795 -0.021573 -0.014587 0.003729 0.006147 3C 1f+2 0.052303 0.060868 0.094490 0.068854 -0.004559 -0.010818 3C 1f-2 0.040777 0.043166 0.060804 0.045774 -0.015146 -0.010702 3C 1f+3 -0.018062 -0.005856 -0.022360 -0.033617 0.001850 -0.002839 3C 1f-3 0.008440 0.000244 0.000537 -0.012942 -0.007469 -0.004198 4C 1s 0.017905 -0.002697 0.004819 0.010648 0.004028 -0.000433 4C 2s 0.057543 -0.008860 0.015854 0.035500 0.011908 -0.001080 4C 3s -0.771023 0.123922 -0.253583 -0.542839 -0.144779 -0.004401 4C 4s 1.780646 -0.290938 0.587741 1.537092 0.255864 0.056210 4C 5s -1.871343 -0.047451 0.470506 -1.367507 -0.062997 -0.035803 4C 1pz -0.045520 0.057164 0.081965 -0.009691 0.081308 -0.005998 4C 1px 0.030233 0.029065 0.030147 0.002253 0.023500 0.046725 4C 1py -0.050209 -0.086284 -0.148570 -0.024083 -0.179158 0.010794 4C 2pz 0.535690 -0.226394 -0.390146 0.617559 -0.121687 0.039368 4C 2px -0.952921 -0.124085 0.653058 -0.173632 -0.210017 -0.015365 4C 2py 0.082206 0.044886 0.382903 0.348042 0.147193 0.018642 4C 3pz -0.444015 0.089437 1.270938 0.647578 -0.168191 0.251642 4C 3px 0.354134 -0.023729 0.051976 0.252381 0.546026 -0.229676 4C 3py -0.315328 -0.096021 0.514275 0.351146 -0.288148 -0.086760 4C 1dz2 0.012061 -0.001224 0.010770 -0.005534 -0.001580 -0.001434 4C 1dxz 0.003034 0.002131 0.002788 -0.004445 -0.004137 0.003948 4C 1dyz -0.000203 0.002295 0.001757 0.000235 0.008234 -0.000160 4C 1dx2y2 0.008451 0.003425 0.007964 0.015999 -0.008143 0.003420 4C 1dxy 0.004791 -0.009909 -0.000659 -0.005596 -0.000570 -0.000231 4C 2dz2 0.400975 0.125826 -0.217319 -0.041539 0.199866 -0.138172 4C 2dxz -0.578556 -0.016399 0.300457 -0.374392 -0.215436 0.129543 4C 2dyz 0.149378 0.015393 0.060726 -0.117513 0.092321 -0.005304 4C 2dx2y2 0.022514 -0.042666 0.219139 0.251410 -0.058394 0.021190 4C 2dxy -0.357769 -0.135505 0.479109 -0.027648 -0.180459 0.135250 4C 1f0 -0.026592 -0.015279 -0.010962 -0.019169 -0.003137 0.000502 4C 1f+1 -0.039361 0.025837 -0.006668 -0.027474 0.004594 -0.005603 4C 1f-1 -0.008821 0.007774 -0.008401 -0.014757 -0.006539 0.005486 4C 1f+2 0.048916 0.004636 -0.001254 0.031294 0.010352 0.002608 4C 1f-2 -0.007237 -0.008060 -0.000648 -0.004572 -0.005287 -0.001989 4C 1f+3 0.016329 -0.012701 -0.024741 0.003451 0.008298 -0.011487 4C 1f-3 -0.008233 0.000275 -0.026670 -0.020521 -0.013472 0.003037 5C 1s 0.006141 0.006583 0.015303 0.007564 -0.001088 -0.001948 5C 2s 0.020797 0.022278 0.049235 0.026124 -0.004283 -0.006482 5C 3s -0.390317 -0.349981 -0.676757 -0.433197 0.075296 0.104800 5C 4s 0.963848 0.898502 1.570256 1.196873 -0.327889 -0.301902 5C 5s -0.086382 -0.884914 -1.971551 -1.147713 0.358008 0.456553 5C 1pz -0.146821 -0.095159 -0.009667 -0.037327 -0.147986 0.019112 5C 1px -0.020456 -0.022717 -0.031544 0.036846 -0.076439 -0.015225 5C 1py -0.084254 -0.053709 0.049787 0.000991 -0.100378 -0.006550 5C 2pz 0.359391 0.414011 -0.101683 0.374318 -0.009044 -0.103252 5C 2px -0.038644 0.170609 0.973110 0.073471 0.168109 -0.015277 5C 2py 0.050655 -0.308178 -0.120620 -0.484740 0.383920 0.139966 5C 3pz 0.692680 0.078787 -0.046771 0.536719 -0.315912 0.088020 5C 3px 0.527757 0.140814 -0.323435 0.259111 0.058506 0.000742 5C 3py -1.623856 -0.460591 0.038828 -0.959111 -0.138764 -0.005935 5C 1dz2 -0.011737 -0.003292 -0.008805 -0.016201 0.008569 -0.000461 5C 1dxz -0.007849 -0.008355 -0.003064 0.001822 0.005062 0.004608 5C 1dyz -0.000053 -0.000272 -0.003460 0.001590 -0.007270 0.000167 5C 1dx2y2 -0.008306 0.001740 -0.006332 0.003522 -0.000458 0.001234 5C 1dxy -0.003400 0.001816 0.000136 0.008906 0.002597 -0.001170 5C 2dz2 -0.236411 -0.075772 -0.271722 -0.159698 0.009816 -0.000663 5C 2dxz -0.150014 -0.234479 0.213489 -0.191560 0.120641 0.070371 5C 2dyz -0.185335 0.007899 0.150282 0.043451 -0.071374 0.020796 5C 2dx2y2 0.175060 0.195584 0.389589 0.377035 -0.112385 -0.027847 5C 2dxy 0.123891 0.125952 -0.615251 0.068933 -0.052233 -0.110945 5C 1f0 0.007647 0.006534 0.004426 -0.010583 0.008050 0.000550 5C 1f+1 -0.015489 -0.022819 -0.024409 -0.005287 -0.009820 0.003762 5C 1f-1 -0.004166 -0.003583 0.011019 0.006177 0.003342 -0.001894 5C 1f+2 0.005917 -0.000183 -0.002912 0.002551 0.009724 -0.001532 5C 1f-2 0.025815 0.021861 0.002852 0.013974 -0.005102 -0.002654 5C 1f+3 -0.011778 -0.001268 -0.057168 -0.040112 0.005327 0.005951 5C 1f-3 0.028861 0.029341 0.031169 0.020618 -0.008255 -0.007844 6C 1s 0.006005 -0.005726 0.015628 -0.007555 -0.001167 0.002573 6C 2s 0.020364 -0.019541 0.050364 -0.026019 -0.004648 0.008691 6C 3s -0.385219 0.312726 -0.696904 0.427798 0.085297 -0.144016 6C 4s 0.953371 -0.812855 1.623729 -1.177697 -0.363856 0.434153 6C 5s -0.099678 0.755230 -2.025305 1.102866 0.367058 -0.531580 6C 1pz 0.145132 -0.097195 0.016881 -0.039459 0.151925 0.003474 6C 1px 0.017259 -0.020848 0.033264 0.035218 0.079778 -0.033280 6C 1py 0.081555 -0.058800 -0.044615 -0.000061 0.102291 -0.018752 6C 2pz -0.355522 0.426754 0.071251 0.369717 0.010508 -0.143318 6C 2px 0.051011 0.107161 -0.978623 0.054350 -0.166675 0.068135 6C 2py -0.050464 -0.297866 0.140222 -0.475295 -0.399214 0.228461 6C 3pz -0.694764 0.086976 0.037707 0.517968 0.354601 -0.005419 6C 3px -0.523286 0.170135 0.312860 0.258361 -0.044934 -0.005186 6C 3py 1.619833 -0.484342 -0.000518 -0.938454 0.082308 0.074483 6C 1dz2 -0.011870 0.003022 -0.009026 0.015274 0.009462 -0.000850 6C 1dxz -0.007718 0.008286 -0.003716 -0.002445 0.004744 -0.005099 6C 1dyz 0.000107 -0.000029 -0.003502 -0.000953 -0.007390 0.000764 6C 1dx2y2 -0.008285 -0.002032 -0.006431 -0.004039 -0.000971 -0.000202 6C 1dxy -0.003254 -0.001808 0.000291 -0.009040 0.001976 0.000401 6C 2dz2 -0.236622 0.062053 -0.275197 0.150647 0.017407 -0.004709 6C 2dxz -0.145001 0.249887 0.193545 0.189165 0.123075 -0.108603 6C 2dyz -0.182842 0.003972 0.147156 -0.033817 -0.075794 -0.023695 6C 2dx2y2 0.173278 -0.172271 0.400020 -0.361527 -0.130323 0.059844 6C 2dxy 0.118727 -0.166552 -0.598658 -0.079035 -0.044670 0.147306 6C 1f0 -0.007789 0.006256 -0.004623 -0.010834 -0.008304 0.003036 6C 1f+1 0.015092 -0.021445 0.025797 -0.005391 0.009974 0.001943 6C 1f-1 0.004231 -0.004384 -0.010864 0.006320 -0.003067 -0.001410 6C 1f+2 -0.005947 -0.000006 0.002770 0.003176 -0.009754 -0.000386 6C 1f-2 -0.025722 0.021856 -0.004184 0.014011 0.005486 -0.006416 6C 1f+3 0.012343 0.002175 0.056821 -0.039070 -0.007193 0.007550 6C 1f-3 -0.028129 0.027597 -0.033369 0.019781 0.008605 -0.010228 7C 1s 0.018302 0.002839 0.004899 -0.010540 0.003503 0.000675 7C 2s 0.058781 0.009311 0.016176 -0.035117 0.010177 0.002012 7C 3s -0.785674 -0.130555 -0.259886 0.538076 -0.119981 -0.009490 7C 4s 1.818848 0.305453 0.603921 -1.520437 0.190977 -0.000477 7C 5s -1.866962 0.117000 0.406654 1.365423 -0.000769 -0.021576 7C 1pz 0.047672 0.053701 -0.085585 -0.006566 -0.083584 0.000616 7C 1px -0.027773 0.029017 -0.033156 0.002572 -0.022923 0.052963 7C 1py 0.046760 -0.080333 0.154753 -0.029019 0.179087 -0.006695 7C 2pz -0.546639 -0.197311 0.384935 0.607279 0.153485 0.016121 7C 2px 0.949848 -0.176570 -0.639170 -0.182088 0.201375 -0.057868 7C 2py -0.080543 0.028315 -0.397887 0.344509 -0.135103 0.018024 7C 3pz 0.460624 0.013611 -1.312121 0.632718 0.192593 0.291438 7C 3px -0.363362 -0.021135 -0.052954 0.279085 -0.539876 -0.184826 7C 3py 0.313121 -0.133286 -0.529996 0.349827 0.281068 -0.097532 7C 1dz2 0.011823 0.001719 0.010689 0.006208 -0.001126 0.001531 7C 1dxz 0.002750 -0.002258 0.002785 0.004775 -0.004085 -0.004063 7C 1dyz 0.000004 -0.002077 0.001800 -0.000800 0.008092 -0.000953 7C 1dx2y2 0.008486 -0.003107 0.008554 -0.015166 -0.008887 -0.002094 7C 1dxy 0.004794 0.009610 -0.001021 0.005663 -0.000177 0.000044 7C 2dz2 0.400119 -0.141740 -0.214147 0.033440 0.206420 0.118420 7C 2dxz -0.582604 0.039715 0.291318 0.380324 -0.202166 -0.108150 7C 2dyz 0.150607 -0.012785 0.056779 0.112272 0.096401 -0.005997 7C 2dx2y2 0.022935 0.053441 0.226375 -0.245889 -0.065296 -0.009686 7C 2dxy -0.359581 0.167001 0.473416 0.038509 -0.182872 -0.118866 7C 1f0 0.026594 -0.014802 0.012321 -0.018481 0.002266 0.000287 7C 1f+1 0.039895 0.025456 0.005902 -0.026654 -0.005971 -0.003874 7C 1f-1 0.009166 0.008116 0.008504 -0.015229 0.006024 0.005936 7C 1f+2 -0.049261 0.005338 0.000097 0.031227 -0.008556 0.003605 7C 1f-2 0.007325 -0.008178 0.001303 -0.005075 0.005129 -0.002627 7C 1f+3 -0.016609 -0.011147 0.025523 0.004127 -0.008890 -0.011839 7C 1f-3 0.009051 0.001863 0.027043 -0.021182 0.012995 0.003725 8C 1s -0.020718 0.021569 -0.032270 0.025632 0.001759 -0.005455 8C 2s -0.064706 0.065300 -0.099691 0.077457 0.003804 -0.016324 8C 3s 0.760232 -0.711203 1.192282 -0.845323 -0.034356 0.179335 8C 4s -2.011803 1.750335 -3.367509 2.082340 0.046165 -0.427050 8C 5s 3.517509 -2.777109 3.953226 -3.882805 -0.605669 0.841235 8C 1pz 0.071874 -0.006374 0.176410 -0.190360 -0.088302 -0.003291 8C 1px 0.033341 -0.016433 0.165979 -0.277532 -0.079010 -0.012940 8C 1py -0.103195 0.179730 -0.149585 0.001614 -0.028490 -0.062959 8C 2pz -0.200120 0.117489 -0.391190 0.707059 0.350276 -0.055620 8C 2px -0.048319 0.052893 -0.576841 0.934572 0.294347 0.050501 8C 2py 0.235265 -0.708519 0.259275 -0.174296 -0.043890 0.269668 8C 3pz -0.318865 0.268458 -0.016318 0.086955 -0.169698 -0.089182 8C 3px -0.116427 0.089024 0.076684 -0.260268 -0.138361 -0.075228 8C 3py 0.158780 0.028812 0.118767 -0.445026 -0.233695 0.001648 8C 1dz2 0.007837 -0.003949 0.006802 -0.005551 -0.000905 -0.000777 8C 1dxz 0.001112 -0.001205 -0.000324 0.006175 0.002969 0.003714 8C 1dyz -0.007023 0.003885 -0.011156 0.003109 -0.001619 0.000953 8C 1dx2y2 0.000662 -0.004362 -0.009979 0.006281 0.002902 0.001700 8C 1dxy -0.005394 0.003742 -0.000437 -0.000813 -0.004457 -0.000952 8C 2dz2 -0.005052 0.071809 -0.040335 -0.022970 0.024034 -0.013338 8C 2dxz 0.029277 -0.148673 0.060024 0.149971 0.025098 0.098387 8C 2dyz 0.013241 0.217844 -0.107827 0.157634 0.019830 -0.077247 8C 2dx2y2 -0.162611 0.160280 -0.162791 0.362064 0.147707 -0.026394 8C 2dxy -0.091541 0.103298 -0.287650 0.263727 0.115061 -0.042154 8C 1f0 0.013413 -0.005296 0.017252 -0.027166 -0.010153 0.004282 8C 1f+1 0.008229 -0.009395 0.009880 -0.014462 0.013319 -0.003183 8C 1f-1 0.015405 -0.027331 0.022656 -0.013544 -0.003541 0.006780 8C 1f+2 -0.051645 0.054900 -0.097946 0.067134 0.006537 -0.013975 8C 1f-2 -0.040782 0.040443 -0.064664 0.045124 0.016605 -0.017264 8C 1f+3 0.017820 -0.004416 0.022481 -0.032600 -0.003377 -0.001761 8C 1f-3 -0.008588 0.000695 -0.001094 -0.013307 0.006951 -0.005516 9C 1s -0.035489 -0.007437 -0.003895 0.031670 -0.003080 0.000546 9C 2s -0.109955 -0.022760 -0.012720 0.096428 -0.010836 0.001470 9C 3s 1.333839 0.254253 0.180581 -1.047732 0.151033 -0.016363 9C 4s -3.821837 -0.641626 -0.514083 2.601806 -0.480593 0.046454 9C 5s 3.799210 0.700105 1.359377 -4.171954 -0.036730 -0.240789 9C 1pz 0.152620 -0.068703 0.072177 -0.267940 0.053579 -0.012642 9C 1px 0.107342 0.044291 -0.012444 -0.176114 0.035877 0.028265 9C 1py 0.256034 0.211071 -0.043671 0.109008 -0.057209 -0.005342 9C 2pz -0.264710 0.219904 -0.116355 1.008866 -0.057188 0.035603 9C 2px -0.140156 -0.178406 -0.014196 0.494879 -0.011205 -0.034481 9C 2py -0.561913 -0.692897 0.182867 -0.205722 0.286255 0.024037 9C 3pz -0.054794 -0.186890 -0.039933 0.053760 0.153739 -0.024100 9C 3px 0.233182 0.096919 -0.028560 -0.244057 0.151540 0.041026 9C 3py 0.112600 0.328320 -0.348640 0.508141 -0.149755 0.088897 9C 1dz2 -0.001764 0.007612 -0.005237 0.003757 -0.002295 -0.001664 9C 1dxz 0.006417 -0.002569 -0.004189 0.003257 0.004522 0.004488 9C 1dyz 0.013495 0.000047 0.007007 -0.003090 0.004882 -0.000638 9C 1dx2y2 -0.005621 0.005027 -0.004010 0.000948 -0.002420 0.002493 9C 1dxy 0.001299 -0.003507 -0.002168 -0.008883 0.005839 0.003313 9C 2dz2 0.264617 0.081577 -0.032199 -0.142830 -0.007720 0.051735 9C 2dxz -0.003103 0.110342 0.125002 0.144087 -0.153291 -0.061416 9C 2dyz 0.266854 0.129041 -0.072843 -0.366958 -0.003956 -0.002965 9C 2dx2y2 0.015425 0.101626 -0.046597 0.196460 -0.013381 0.054088 9C 2dxy -0.151879 -0.149873 0.077767 -0.216599 -0.006132 -0.057348 9C 1f0 0.013575 -0.014282 0.018227 -0.032577 -0.001602 -0.005005 9C 1f+1 0.022454 0.009257 0.003394 -0.000834 -0.012614 -0.009276 9C 1f-1 0.054085 0.013644 0.010117 -0.031533 0.008878 0.006072 9C 1f+2 -0.072475 -0.015914 -0.014125 0.048056 0.007321 0.022666 9C 1f-2 0.078935 0.008952 0.002314 -0.068936 0.021075 0.015199 9C 1f+3 -0.055223 -0.022073 -0.008927 0.037162 -0.003561 -0.006179 9C 1f-3 -0.021938 -0.002711 0.003796 0.019072 0.019602 0.024833 10H 1s -0.057915 0.000903 -0.003656 -0.038088 -0.003918 -0.003794 10H 2s 0.618581 0.011493 0.233974 0.453955 0.004751 0.116738 10H 3s -0.763265 0.028820 -0.163948 -0.635796 -0.031330 -0.075194 10H 1pz 0.146264 -0.005182 0.043160 0.144180 -0.113497 0.200913 10H 1px -0.075751 -0.010859 -0.018731 -0.034990 -0.039546 0.036934 10H 1py 0.012212 -0.070692 -0.021568 -0.022592 0.171663 -0.295001 11H 1s -0.051125 -0.003058 -0.010700 -0.062567 -0.013211 -0.006626 11H 2s 0.612085 0.148790 0.061028 1.213305 0.333827 -0.006539 11H 3s -0.857873 -0.026178 -0.216995 -1.265329 -0.258216 -0.052149 11H 1pz 0.067300 0.017699 -0.001778 0.106146 0.135969 -0.167896 11H 1px 0.150111 -0.027650 -0.001298 0.157244 -0.157228 0.273669 11H 1py 0.013630 -0.098362 -0.073342 -0.157398 -0.158106 0.167652 12H 1s -0.053834 0.034178 0.000107 -0.025277 0.008719 0.000215 12H 2s 1.091362 -0.712164 -0.047865 0.206906 -0.060957 -0.016834 12H 3s -1.106148 0.594395 0.023297 -0.522348 0.073079 -0.030819 12H 1pz -0.031263 0.097921 0.054733 0.090187 0.042054 -0.021693 12H 1px 0.031738 -0.031123 0.032519 0.069014 0.220886 -0.327499 12H 1py 0.229555 -0.123603 -0.022733 0.062850 -0.111779 0.154557 13H 1s -0.027836 -0.034855 -0.035454 -0.033012 0.015152 0.015598 13H 2s 0.534323 0.558579 0.596123 0.310573 -0.089191 -0.188828 13H 3s -0.578989 -0.614120 -0.736672 -0.464343 0.046108 0.175467 13H 1pz 0.034566 0.066900 0.126127 0.177118 0.083035 0.032948 13H 1px -0.076468 -0.059327 -0.013600 0.087403 0.052661 0.052068 13H 1py -0.097141 -0.090143 -0.080965 -0.030910 0.103027 0.049676 14H 1s -0.026220 -0.025937 -0.067965 -0.068365 0.015802 -0.000837 14H 2s 0.474705 0.334255 0.930948 1.251503 -0.245148 0.088543 14H 3s -0.532380 -0.464814 -1.009911 -1.189333 0.280999 -0.031003 14H 1pz 0.051813 0.022079 0.073473 0.008808 -0.166589 -0.047527 14H 1px 0.076434 0.080010 0.192741 0.276519 0.044313 0.027319 14H 1py -0.040235 -0.063222 0.025431 0.064966 -0.070049 0.025567 15H 1s -0.018897 -0.042940 -0.043473 -0.021660 0.003476 0.008803 15H 2s 0.238868 0.611268 0.486507 0.098290 0.123967 -0.183625 15H 3s -0.624993 -0.767894 -0.743049 -0.509344 -0.072097 0.185651 15H 1pz -0.076557 -0.094242 -0.042902 0.008265 -0.016253 0.038181 15H 1px 0.007036 -0.007104 0.064738 0.019311 -0.191380 -0.040880 15H 1py -0.037038 -0.109831 -0.088451 -0.062988 -0.051348 0.004257 16H 1s -0.042109 0.036303 0.050002 0.025831 -0.011906 -0.009773 16H 2s 0.129242 -0.338545 -0.099441 -0.130729 0.081147 0.144517 16H 3s -0.081275 0.050639 -0.100339 0.036927 -0.034309 -0.035841 16H 1pz 0.045763 -0.029932 -0.042509 -0.007545 0.022363 0.013728 16H 1px -0.093755 0.002873 0.025421 0.066060 -0.080857 -0.017637 16H 1py -0.012363 -0.004060 -0.015922 -0.013659 -0.036163 -0.024424 17H 1s 0.025134 0.005984 -0.056189 -0.025138 -0.000570 -0.018076 17H 2s -0.114043 -0.195517 0.288211 0.103716 0.071124 0.222786 17H 3s -0.123955 0.019277 -0.076995 -0.021877 -0.000826 -0.077054 17H 1pz 0.021180 0.040146 0.008998 0.031171 0.020763 -0.021694 17H 1px 0.007867 -0.021024 -0.107922 -0.045940 -0.027260 0.001428 17H 1py -0.001974 0.009896 -0.032270 0.009887 -0.020322 0.009032 18H 1s 0.023633 -0.010069 -0.053948 0.024571 0.001231 0.018573 18H 2s -0.099135 0.216301 0.259438 -0.101743 0.057034 -0.239092 18H 3s -0.126712 -0.022486 -0.071898 0.022131 0.001636 0.068108 18H 1pz -0.019001 0.038723 -0.014167 0.032051 -0.020901 -0.017257 18H 1px -0.007711 -0.013427 0.107567 -0.046696 0.026560 -0.005767 18H 1py 0.001337 0.012839 0.031169 0.009766 0.021774 0.001849 19H 1s -0.044407 -0.031669 0.055492 -0.024616 -0.013553 0.011483 19H 2s 0.146482 0.327127 -0.145730 0.126879 0.085048 -0.167754 19H 3s -0.084563 -0.054649 -0.090412 -0.036089 -0.034892 0.037540 19H 1pz -0.047671 -0.026094 0.046458 -0.005298 -0.023195 0.016769 19H 1px 0.093306 -0.001089 -0.027723 0.061144 0.085714 -0.028006 19H 1py 0.011246 -0.003557 0.018166 -0.015305 0.034736 -0.029507 20H 1s -0.018331 0.040435 -0.045633 0.020848 0.003698 -0.010752 20H 2s 0.235481 -0.579996 0.508125 -0.096197 0.133710 0.186923 20H 3s -0.623206 0.724053 -0.780259 0.493615 -0.062348 -0.218629 20H 1pz 0.076237 -0.092450 0.045844 0.010244 0.021147 0.039946 20H 1px -0.008616 -0.007714 -0.065580 0.014090 0.195305 -0.098884 20H 1py 0.035889 -0.103297 0.093546 -0.063800 0.051620 -0.008843 21H 1s -0.026094 0.021824 -0.069766 0.066671 0.018910 -0.003575 21H 2s 0.478490 -0.282921 0.959928 -1.226172 -0.307169 -0.010727 21H 3s -0.538024 0.406882 -1.043521 1.160232 0.338145 -0.059994 21H 1pz -0.050770 0.019581 -0.078669 0.005302 0.168429 -0.096520 21H 1px -0.077638 0.068243 -0.197524 0.273046 -0.034078 0.039848 21H 1py 0.038136 -0.063828 -0.023154 0.065477 0.077269 0.006296 22H 1s -0.027393 0.032784 -0.038223 0.031794 0.015287 -0.019633 22H 2s 0.520897 -0.521402 0.641417 -0.293337 -0.088370 0.219108 22H 3s -0.569057 0.567547 -0.782896 0.445076 0.053997 -0.203153 22H 1pz -0.033828 0.056908 -0.130639 0.177660 -0.076916 0.061015 22H 1px 0.073271 -0.058897 0.019334 0.088462 -0.046201 0.069452 22H 1py 0.096645 -0.087189 0.086739 -0.025176 -0.103101 0.084727 23H 1s -0.054908 -0.033298 0.000522 0.024554 0.009224 -0.004057 23H 2s 1.105597 0.682612 -0.057705 -0.197960 -0.064362 0.064334 23H 3s -1.118081 -0.566286 0.016148 0.517923 0.095538 -0.012743 23H 1pz 0.032570 0.093269 -0.058860 0.089809 -0.037847 -0.017515 23H 1px -0.029210 -0.030995 -0.036072 0.084810 -0.248467 -0.352470 23H 1py -0.232279 -0.117032 0.023820 0.054645 0.124433 0.151604 24H 1s -0.051607 0.003369 -0.013171 0.062499 -0.009470 0.007142 24H 2s 0.630387 -0.156740 0.104337 -1.233895 0.261957 -0.001672 24H 3s -0.868958 0.032785 -0.262835 1.274465 -0.186524 0.053947 24H 1pz -0.068322 0.017340 -0.002087 0.113769 -0.146528 -0.181801 24H 1px -0.152504 -0.020067 -0.006118 0.150163 0.186501 0.285808 24H 1py -0.015365 -0.093044 0.081263 -0.165122 0.166346 0.176936 25H 1s -0.057810 -0.000118 -0.004962 0.037578 -0.002560 0.003806 25H 2s 0.619031 -0.002290 0.243617 -0.440885 -0.017884 -0.103106 25H 3s -0.767336 -0.028792 -0.182102 0.626919 0.000223 0.055388 25H 1pz -0.147148 -0.003288 -0.048314 0.134917 0.137418 0.210926 25H 1px 0.075531 -0.007787 0.017225 -0.033978 0.045519 0.046688 25H 1py -0.012043 -0.070805 0.024064 -0.009221 -0.198470 -0.317428 26O 1s -0.003926 -0.000080 0.002931 -0.003282 -0.002575 0.004095 26O 2s -0.011205 0.000628 0.007354 -0.008969 -0.006536 0.010287 26O 3s 0.036178 -0.022180 0.013924 0.038296 0.008882 -0.011444 26O 4s 0.084027 0.122802 -0.240903 0.015556 0.120854 -0.192934 26O 5s 1.049233 0.254625 -1.739752 -0.727367 0.176700 0.194946 26O 1pz 0.036980 -0.034338 -0.055090 0.022368 -0.008150 -0.007917 26O 1px -0.043106 -0.031648 0.024767 -0.011225 -0.031708 0.021268 26O 1py -0.004277 0.066408 0.012676 -0.008037 0.016483 -0.003955 26O 2pz -0.040351 -0.016636 0.055948 0.037176 -0.017113 0.009269 26O 2px -0.185599 -0.101978 0.386360 0.076669 -0.098141 0.086246 26O 2py -0.101871 -0.025365 0.178120 0.061595 -0.073319 0.030822 26O 3pz 0.359515 0.115500 -0.212485 0.110096 0.336760 -0.157888 26O 3px -0.109781 0.095387 0.115985 0.323340 0.109029 -0.194015 26O 3py 0.259497 -0.170089 -0.374425 0.096737 0.191777 -0.070696 26O 1dz2 0.004445 0.000923 -0.002008 -0.000730 0.001410 -0.000976 26O 1dxz -0.000687 -0.000924 -0.000128 0.001982 0.000883 -0.000513 26O 1dyz 0.001591 0.000805 -0.000048 0.001350 0.000890 -0.001044 26O 1dx2y2 -0.003136 -0.001477 0.002358 -0.001458 -0.000076 0.001059 26O 1dxy -0.002723 0.000320 0.000095 0.000577 -0.002379 0.000750 26O 2dz2 -0.058257 0.244487 0.182531 0.022305 0.099772 0.054158 26O 2dxz -0.057748 0.042056 0.002116 -0.002233 0.082927 -0.065003 26O 2dyz 0.030357 -0.154758 -0.079936 -0.020411 -0.045687 -0.010341 26O 2dx2y2 0.021518 0.066743 -0.083286 -0.045833 0.084236 0.010069 26O 2dxy 0.021952 0.153397 0.030471 0.026581 -0.007767 0.022381 26O 1f0 -0.001801 0.000935 -0.001502 -0.001956 -0.000862 0.000257 26O 1f+1 -0.002062 -0.000322 -0.007315 -0.004467 -0.001181 -0.000289 26O 1f-1 -0.003601 -0.000123 -0.000112 -0.003276 -0.000175 0.000790 26O 1f+2 0.004632 -0.001845 -0.000029 0.001109 0.002441 -0.000688 26O 1f-2 -0.000238 0.001247 0.001967 0.000124 0.000699 0.000151 26O 1f+3 -0.000411 0.001143 -0.003332 -0.002704 -0.002128 0.000689 26O 1f-3 -0.002025 0.003522 -0.005173 -0.004189 -0.000001 0.000038 27O 1s 0.000927 -0.000912 0.003127 0.000848 -0.000956 -0.000467 27O 2s 0.002223 -0.003396 0.005465 0.000667 -0.001654 -0.001276 27O 3s 0.009155 0.034769 0.075308 0.040969 -0.010630 0.002811 27O 4s -0.076803 -0.091239 -0.605189 -0.246575 0.114223 -0.015076 27O 5s -0.932895 -0.644624 -0.807475 -0.653105 -0.265196 0.150159 27O 1pz 0.010674 0.061730 -0.062065 -0.032154 0.008051 0.007711 27O 1px 0.008320 0.005645 0.018569 0.004839 -0.003227 -0.000249 27O 1py 0.016561 0.033076 0.030855 -0.011369 0.024940 0.005910 27O 2pz 0.000323 0.009572 -0.041404 -0.008975 -0.026387 0.000070 27O 2px 0.154642 0.114177 0.551875 0.194349 -0.005828 0.007635 27O 2py -0.055587 -0.033428 -0.109840 -0.073974 0.000634 -0.001503 27O 3pz -0.201886 -0.127159 0.019879 0.050638 -0.058322 -0.011814 27O 3px 0.041352 0.262408 -0.147669 0.257589 -0.116287 -0.141192 27O 3py -0.079387 -0.096668 0.425485 0.160940 -0.047219 0.034250 27O 1dz2 0.000660 -0.001020 -0.001124 -0.001960 0.000690 0.000307 27O 1dxz -0.000286 0.001784 -0.002556 -0.000243 -0.002510 -0.000679 27O 1dyz -0.001015 -0.000706 0.001932 0.000529 0.000281 0.001031 27O 1dx2y2 -0.001249 -0.000676 0.002064 -0.000311 -0.001982 0.000401 27O 1dxy -0.001931 -0.001321 0.004235 -0.001874 -0.000824 0.001218 27O 2dz2 -0.108298 -0.177315 0.266047 0.199579 -0.091271 -0.026672 27O 2dxz 0.080606 0.042802 0.017682 -0.046206 -0.018475 0.004061 27O 2dyz 0.019347 0.110921 -0.074523 -0.062899 0.081702 0.018330 27O 2dx2y2 -0.068258 -0.133049 -0.073637 0.061543 -0.090429 0.000390 27O 2dxy 0.071234 0.055735 -0.006785 -0.048742 -0.046901 -0.024859 27O 1f0 0.000073 0.001270 0.002027 0.002406 0.000766 -0.001442 27O 1f+1 -0.000774 -0.001399 -0.011151 -0.004391 0.000164 0.000125 27O 1f-1 -0.000003 0.001749 0.002003 0.001839 -0.000002 0.000250 27O 1f+2 -0.001427 0.000678 -0.003983 0.000340 -0.002058 -0.000503 27O 1f-2 0.000991 0.000458 0.000872 0.002335 0.000556 -0.001244 27O 1f+3 -0.003615 -0.005410 -0.009309 -0.002722 -0.000420 0.001323 27O 1f-3 0.004415 0.002853 0.006033 0.002403 0.001709 -0.000608 28O 1s 0.002837 0.000138 -0.001795 0.000837 0.001612 -0.003177 28O 2s 0.004024 0.000426 -0.004289 -0.000359 0.003545 -0.008206 28O 3s 0.088754 -0.002611 -0.007553 0.064820 0.012879 0.013366 28O 4s -0.626500 -0.022350 0.171247 -0.330300 -0.192086 0.137742 28O 5s -0.783358 0.201145 0.043535 -0.971867 0.027600 -0.242321 28O 1pz -0.027181 0.041835 0.036507 -0.008228 0.008428 0.008416 28O 1px -0.043384 0.014939 0.049495 -0.016272 -0.022438 0.026853 28O 1py -0.032730 -0.067592 -0.020226 0.008567 0.000392 -0.015500 28O 2pz 0.363827 0.015542 -0.087972 0.222408 0.126727 -0.042248 28O 2px -0.462835 -0.006045 0.133638 -0.241626 -0.128053 0.069145 28O 2py 0.056171 -0.015107 -0.020800 0.042017 -0.010628 -0.009425 28O 3pz -0.333221 -0.207515 0.092865 0.069621 -0.494485 0.248069 28O 3px 0.019754 0.115814 -0.035376 -0.280018 0.156323 -0.223506 28O 3py -0.213785 0.017708 0.341966 -0.073264 -0.145062 0.211933 28O 1dz2 -0.003149 0.000299 0.003091 0.001781 -0.001168 0.001512 28O 1dxz -0.000259 -0.000895 0.003152 -0.002417 0.000646 0.000196 28O 1dyz -0.001958 -0.002650 0.001250 0.001129 -0.003557 0.001123 28O 1dx2y2 0.003000 -0.000037 -0.001380 0.000427 0.001784 -0.000913 28O 1dxy 0.001136 0.001928 0.000482 -0.001042 0.002659 -0.000230 28O 2dz2 -0.068634 -0.083261 -0.101743 0.068116 0.058532 0.003665 28O 2dxz 0.168641 -0.133540 -0.172365 0.105653 0.048027 -0.038134 28O 2dyz 0.029772 0.018389 0.037616 -0.065632 -0.066559 -0.003455 28O 2dx2y2 -0.135943 -0.149482 -0.077718 -0.001841 0.023202 -0.062049 28O 2dxy 0.008009 0.117122 0.085847 0.026647 0.067885 -0.028281 28O 1f0 -0.006804 0.003766 0.003080 -0.002270 0.000950 0.000755 28O 1f+1 -0.007648 -0.001186 -0.004070 -0.003406 -0.003857 0.000350 28O 1f-1 0.002895 0.000184 -0.002562 0.000722 0.001168 -0.000913 28O 1f+2 0.012617 -0.000482 -0.001745 0.009830 0.002346 0.000401 28O 1f-2 -0.001382 0.002863 0.002605 -0.002301 0.001713 -0.000390 28O 1f+3 0.007755 0.000828 -0.002088 0.003982 0.000963 0.000199 28O 1f-3 -0.001143 0.001113 0.000553 -0.001765 0.001575 -0.000276 29O 1s -0.006014 0.003343 -0.005785 0.000904 -0.003210 -0.003315 29O 2s -0.016408 0.008757 -0.014916 0.002313 -0.008225 -0.008556 29O 3s 0.044752 -0.021865 0.023354 -0.004026 0.013455 0.017836 29O 4s 0.158618 -0.150565 0.256091 -0.035546 0.144128 0.148509 29O 5s -0.500762 0.736451 -0.727118 0.111472 -0.447253 -0.622509 29O 1pz 0.000857 -0.000319 0.015357 -0.013517 -0.006229 0.005999 29O 1px -0.020546 0.003336 -0.010384 -0.001394 0.010164 -0.001990 29O 1py 0.022472 0.007892 0.021022 -0.001708 0.019752 0.002098 29O 2pz 0.091985 -0.048846 -0.105220 -0.059027 0.033906 0.007233 29O 2px -0.005535 0.026847 -0.078404 -0.013755 -0.019313 -0.036737 29O 2py 0.021590 -0.012702 0.017067 0.003251 0.015643 0.014138 29O 3pz -0.225022 0.016735 0.009308 0.058579 -0.145288 -0.099573 29O 3px 0.367109 -0.104193 0.404315 -0.040906 0.196347 0.136362 29O 3py -0.108228 -0.243745 0.036016 -0.001761 -0.012996 0.152464 29O 1dz2 -0.000766 0.000700 0.000961 0.001120 -0.000125 -0.000653 29O 1dxz 0.001597 0.000232 -0.002465 -0.002428 0.001764 0.000893 29O 1dyz 0.000103 -0.000944 -0.001494 -0.000546 0.000168 0.000708 29O 1dx2y2 0.001806 -0.001105 -0.000192 -0.000926 -0.000308 0.000607 29O 1dxy 0.002237 0.001808 0.000530 -0.000130 0.000966 -0.000807 29O 2dz2 -0.036505 0.100475 0.104923 0.063288 -0.024095 -0.053129 29O 2dxz 0.130941 0.023996 -0.104435 -0.076155 0.030055 -0.016499 29O 2dyz -0.040524 0.018881 0.053522 0.037581 -0.026128 0.020414 29O 2dx2y2 -0.023123 -0.011177 -0.118797 -0.019221 -0.078436 -0.000765 29O 2dxy -0.003005 -0.003135 0.058739 0.013140 0.076664 0.036293 29O 1f0 0.001974 -0.002604 -0.000660 -0.000218 -0.000166 0.001297 29O 1f+1 -0.000709 0.000850 -0.000612 0.000027 0.000067 -0.000875 29O 1f-1 0.003998 -0.003410 -0.005049 -0.002119 0.001261 0.000988 29O 1f+2 -0.002777 0.001996 0.001089 0.000590 0.000003 -0.000503 29O 1f-2 -0.004578 0.000078 0.006232 0.002846 -0.001020 0.001516 29O 1f+3 -0.001359 0.001106 -0.002912 -0.000122 -0.000594 -0.001355 29O 1f-3 0.000564 -0.000662 -0.004266 -0.001197 -0.000608 -0.000660 30O 1s 0.000847 0.000051 -0.004105 -0.001583 0.001630 0.001654 30O 2s 0.001371 -0.001315 -0.012187 -0.005659 0.004730 0.005474 30O 3s 0.024709 0.040499 0.045143 0.052648 -0.024443 -0.036462 30O 4s -0.136368 -0.193569 0.053371 -0.142114 0.017465 0.093593 30O 5s -1.225985 -0.556151 1.042114 -0.945299 0.498984 0.175435 30O 1pz -0.031706 -0.061218 0.034209 0.029613 0.008928 -0.007886 30O 1px -0.022949 -0.012785 0.069074 0.029092 0.000060 -0.008654 30O 1py -0.018676 -0.046172 -0.000213 0.006344 -0.003308 0.009555 30O 2pz 0.118611 0.089932 -0.080041 0.124286 -0.061910 -0.050784 30O 2px -0.157473 -0.123628 0.141272 -0.108508 0.031841 0.065228 30O 2py -0.144018 -0.128034 0.098616 -0.133953 0.025045 0.061879 30O 3pz 0.176193 0.073595 -0.048762 0.115362 -0.028499 0.090455 30O 3px -0.101638 -0.049046 0.203921 -0.261099 0.196071 -0.045686 30O 3py 0.155607 0.066356 -0.373223 -0.190394 0.251177 -0.183724 30O 1dz2 -0.001248 -0.000928 0.000721 0.001375 -0.001704 -0.000231 30O 1dxz -0.000495 0.000522 0.003771 -0.001243 0.000835 0.000430 30O 1dyz -0.001064 -0.000866 -0.000870 -0.002427 0.002026 -0.000439 30O 1dx2y2 -0.001922 -0.001414 -0.001998 -0.003106 0.001250 0.000125 30O 1dxy -0.000412 0.002702 -0.004146 0.000410 -0.000394 -0.000278 30O 2dz2 0.093536 0.092278 -0.044725 0.068708 -0.130985 0.003247 30O 2dxz 0.184633 0.174284 -0.138510 -0.045378 -0.003618 0.016028 30O 2dyz -0.053164 -0.049178 0.023989 0.032599 0.023590 -0.048679 30O 2dx2y2 0.097509 0.130325 0.011537 -0.031447 -0.009321 0.031692 30O 2dxy 0.037944 0.048708 -0.067652 -0.091149 0.048698 -0.019421 30O 1f0 -0.004302 -0.003742 0.001383 -0.002890 0.000200 0.001326 30O 1f+1 0.001735 0.001504 -0.003022 0.000299 0.002113 0.000509 30O 1f-1 0.002130 0.002142 -0.001524 -0.003036 0.003291 0.000074 30O 1f+2 0.000206 0.001286 0.000338 0.001255 -0.002872 -0.000094 30O 1f-2 0.003526 0.003745 0.003792 0.005251 -0.001956 -0.002700 30O 1f+3 -0.004386 -0.003812 -0.002611 -0.001558 -0.001519 0.000641 30O 1f-3 0.004750 0.003730 0.001518 0.005987 -0.001649 -0.001101 31O 1s 0.000707 -0.000276 -0.004009 0.001476 0.001631 -0.001943 31O 2s 0.001013 0.000657 -0.012061 0.005354 0.004710 -0.006379 31O 3s 0.025157 -0.038354 0.048025 -0.051708 -0.024279 0.043965 31O 4s -0.129707 0.197807 0.033575 0.145200 0.014878 -0.110069 31O 5s -1.230490 0.640976 1.001429 0.943734 0.531317 -0.415637 31O 1pz 0.030262 -0.063341 -0.030204 0.030103 -0.008147 -0.007015 31O 1px 0.021657 -0.017459 -0.067255 0.027871 0.001525 -0.006114 31O 1py 0.018176 -0.046590 0.003274 0.007336 0.004190 0.006175 31O 2pz -0.117868 0.096842 0.071656 0.124590 0.063680 -0.074821 31O 2px 0.155213 -0.134755 -0.129955 -0.112309 -0.030564 0.089770 31O 2py 0.142315 -0.136369 -0.087370 -0.135584 -0.026487 0.082951 31O 3pz -0.178987 0.077713 0.047714 0.113755 0.047800 0.061727 31O 3px 0.108096 -0.063445 -0.205514 -0.256109 -0.213599 0.016171 31O 3py -0.150159 0.094452 0.361218 -0.176541 -0.277019 -0.128331 31O 1dz2 -0.001213 0.000995 0.000661 -0.001318 -0.001811 0.000532 31O 1dxz -0.000521 -0.000275 0.003743 0.001280 0.000934 -0.000642 31O 1dyz -0.001076 0.000834 -0.000929 0.002287 0.002174 -0.000100 31O 1dx2y2 -0.001925 0.001332 -0.002092 0.002921 0.001381 -0.000479 31O 1dxy -0.000489 -0.002937 -0.003900 -0.000449 -0.000414 0.000514 31O 2dz2 0.094415 -0.096328 -0.037764 -0.060729 -0.135163 0.015532 31O 2dxz 0.181708 -0.185045 -0.125008 0.044751 -0.000065 -0.008715 31O 2dyz -0.051130 0.051465 0.020274 -0.035590 0.025242 0.051707 31O 2dx2y2 0.092798 -0.130825 0.022467 0.035468 -0.007014 -0.043104 31O 2dxy 0.037615 -0.053101 -0.064897 0.090377 0.054209 0.007293 31O 1f0 0.004287 -0.003889 -0.001079 -0.002979 -0.000256 0.001873 31O 1f+1 -0.001749 0.001740 0.002914 0.000320 -0.002102 0.000939 31O 1f-1 -0.002026 0.002255 0.001404 -0.002909 -0.003496 0.000438 31O 1f+2 -0.000203 0.001259 -0.000373 0.001231 0.002888 -0.000827 31O 1f-2 -0.003571 0.003552 -0.003999 0.005240 0.001975 -0.003594 31O 1f+3 0.004316 -0.003706 0.002891 -0.001521 0.001573 0.000391 31O 1f-3 -0.004723 0.003722 -0.001829 0.005940 0.001801 -0.001866 32O 1s -0.006197 -0.003611 -0.005308 -0.000834 -0.003122 0.003808 32O 2s -0.016908 -0.009419 -0.013635 -0.002135 -0.008021 0.009763 32O 3s 0.046533 0.022280 0.019310 0.003704 0.013599 -0.018735 32O 4s 0.165130 0.165508 0.238815 0.032555 0.136784 -0.176654 32O 5s -0.544418 -0.774565 -0.627359 -0.101798 -0.422072 0.708980 32O 1pz -0.000126 -0.001398 -0.014789 -0.014085 0.006359 0.004288 32O 1px 0.020749 0.003674 0.010480 -0.000673 -0.010651 0.001512 32O 1py -0.021364 0.006926 -0.022071 -0.001278 -0.019858 0.007212 32O 2pz -0.093344 -0.039162 0.112045 -0.056378 -0.036968 0.011055 32O 2px 0.008383 0.032222 0.072979 -0.013428 0.017784 -0.040735 32O 2py -0.025518 -0.013796 -0.010251 0.002700 -0.016751 0.016068 32O 3pz 0.223355 0.016856 -0.012726 0.051238 0.142896 -0.112810 32O 3px -0.376218 -0.123051 -0.383701 -0.034600 -0.194254 0.163918 32O 3py 0.096622 -0.248465 -0.009871 -0.003594 0.023628 0.152103 32O 1dz2 -0.000801 -0.000640 0.001057 -0.001103 -0.000120 0.000574 32O 1dxz 0.001501 -0.000407 -0.002458 0.002305 0.001879 -0.001086 32O 1dyz 0.000149 0.000819 -0.001548 0.000509 0.000162 -0.000703 32O 1dx2y2 0.001843 0.001060 -0.000263 0.000931 -0.000372 -0.000432 32O 1dxy 0.002219 -0.001805 0.000625 0.000106 0.001072 0.000693 32O 2dz2 -0.038272 -0.091613 0.114750 -0.058831 -0.025727 0.059859 32O 2dxz 0.128238 -0.032470 -0.102820 0.073989 0.033986 0.015569 32O 2dyz -0.041362 -0.017567 0.058135 -0.036844 -0.031870 -0.009583 32O 2dx2y2 -0.020671 0.003314 -0.122044 0.022103 -0.078517 0.019459 32O 2dxy -0.000226 0.006042 0.050924 -0.014093 0.077455 -0.055448 32O 1f0 -0.001980 -0.002308 0.000829 -0.000112 0.000260 0.001070 32O 1f+1 0.000733 0.000941 0.000603 -0.000053 -0.000135 -0.000820 32O 1f-1 -0.004207 -0.003021 0.005561 -0.001972 -0.001409 0.001242 32O 1f+2 0.003011 0.001939 -0.001424 0.000569 0.000068 -0.000526 32O 1f-2 0.004553 -0.000358 -0.006283 0.002767 0.001219 0.001389 32O 1f+3 0.001637 0.001259 0.002391 -0.000015 0.000556 -0.001379 32O 1f-3 -0.000572 -0.000386 0.004308 -0.001216 0.000567 -0.000730 33O 1s 0.002961 -0.000250 -0.001873 -0.000929 0.001674 0.003131 33O 2s 0.004316 -0.000659 -0.004544 0.000116 0.003806 0.008036 33O 3s 0.088864 0.000986 -0.005498 -0.064275 0.009890 -0.012976 33O 4s -0.632026 0.038648 0.163906 0.333976 -0.183847 -0.131539 33O 5s -0.790900 -0.185130 0.021698 0.962742 0.080773 0.274950 33O 1pz 0.028556 0.039543 -0.040018 -0.007855 -0.008220 0.010828 33O 1px 0.043757 0.011224 -0.050051 -0.017748 0.022703 0.025932 33O 1py 0.032091 -0.066570 0.024270 0.009946 -0.001618 -0.019552 33O 2pz -0.364584 0.025480 0.079305 0.226043 -0.118303 -0.031720 33O 2px 0.466195 -0.019224 -0.126550 -0.244647 0.119698 0.059565 33O 2py -0.056753 -0.012963 0.019441 0.041682 0.010868 -0.011912 33O 3pz 0.328249 -0.216828 -0.080690 0.042075 0.497709 0.193076 33O 3px -0.010416 0.118883 0.028602 -0.267836 -0.177642 -0.216029 33O 3py 0.216762 -0.006841 -0.343594 -0.088218 0.156685 0.219802 33O 1dz2 -0.003189 -0.000149 0.003211 -0.001738 -0.001267 -0.001431 33O 1dxz -0.000234 0.001075 0.003012 0.002414 0.000719 -0.000326 33O 1dyz -0.001900 0.002709 0.001136 -0.001021 -0.003643 -0.000664 33O 1dx2y2 0.003039 -0.000057 -0.001430 -0.000454 0.001788 0.000662 33O 1dxy 0.001158 -0.001921 0.000493 0.000907 0.002707 0.000004 33O 2dz2 -0.066022 0.077806 -0.108611 -0.076401 0.053170 -0.006454 33O 2dxz 0.172136 0.120726 -0.178640 -0.110478 0.043430 0.040652 33O 2dyz 0.028111 -0.016753 0.039508 0.070799 -0.061292 0.009224 33O 2dx2y2 -0.133520 0.147520 -0.089114 -0.004148 0.023576 0.068636 33O 2dxy 0.007958 -0.110875 0.093428 -0.028357 0.067290 0.021935 33O 1f0 0.006918 0.003475 -0.003172 -0.002216 -0.000964 0.000989 33O 1f+1 0.007608 -0.001052 0.004340 -0.003416 0.003765 0.000040 33O 1f-1 -0.002905 0.000376 0.002489 0.000835 -0.001193 -0.000837 33O 1f+2 -0.012731 -0.000220 0.001506 0.009814 -0.001836 0.000509 33O 1f-2 0.001547 0.002725 -0.002789 -0.002250 -0.001851 -0.000148 33O 1f+3 -0.007810 0.001059 0.001879 0.003962 -0.000758 0.000317 33O 1f-3 0.001203 0.001103 -0.000574 -0.001721 -0.001716 -0.000135 34O 1s 0.001008 0.001068 0.003058 -0.000711 -0.001147 0.000770 34O 2s 0.002472 0.003613 0.005228 -0.000384 -0.002101 0.001893 34O 3s 0.007873 -0.029515 0.077198 -0.039578 -0.011294 -0.001451 34O 4s -0.076154 0.052790 -0.608037 0.230796 0.129488 -0.009414 34O 5s -0.915065 0.605702 -0.843703 0.633610 -0.245955 -0.090864 34O 1pz -0.009172 0.065458 0.057925 -0.030648 -0.010334 0.008404 34O 1px -0.009304 0.004197 -0.018409 0.003878 0.003661 -0.001085 34O 1py -0.016719 0.031578 -0.032136 -0.011567 -0.024650 0.012570 34O 2pz -0.000188 0.012022 0.040949 -0.009955 0.025784 -0.003915 34O 2px -0.154091 0.080354 -0.554206 0.182765 0.015715 0.010390 34O 2py 0.055301 -0.026923 0.111564 -0.071022 -0.003922 0.000623 34O 3pz 0.201282 -0.130189 -0.014497 0.052389 0.064779 -0.025826 34O 3px -0.023115 0.274552 0.119024 0.252534 0.126268 -0.166270 34O 3py 0.070595 -0.126033 -0.416197 0.150773 0.057407 0.030083 34O 1dz2 0.000652 0.000945 -0.001207 0.001884 0.000813 -0.000453 34O 1dxz -0.000317 -0.001924 -0.002435 0.000338 -0.002492 0.000996 34O 1dyz -0.000981 0.000831 0.001847 -0.000513 0.000199 -0.001041 34O 1dx2y2 -0.001233 0.000808 0.001952 0.000453 -0.002072 -0.000225 34O 1dxy -0.001892 0.001623 0.004123 0.001915 -0.000798 -0.001262 34O 2dz2 -0.105119 0.195350 0.255898 -0.191735 -0.100452 0.035990 34O 2dxz 0.078039 -0.042354 0.021846 0.049982 -0.015949 -0.007865 34O 2dyz 0.016113 -0.114927 -0.067350 0.058592 0.085768 -0.032787 34O 2dx2y2 -0.065168 0.128698 -0.081116 -0.059109 -0.093228 0.016532 34O 2dxy 0.070369 -0.056671 -0.003902 0.051103 -0.042204 0.034621 34O 1f0 -0.000048 0.001164 -0.002183 0.002373 -0.000779 -0.001271 34O 1f+1 0.000734 -0.000674 0.011130 -0.004278 -0.000369 0.000057 34O 1f-1 0.000043 0.001628 -0.002107 0.001829 0.000080 0.000218 34O 1f+2 0.001441 0.000894 0.003922 0.000418 0.002048 -0.000985 34O 1f-2 -0.001012 0.000444 -0.000911 0.002365 -0.000551 -0.001239 34O 1f+3 0.003526 -0.004840 0.009556 -0.002638 0.000397 0.001098 34O 1f-3 -0.004327 0.002516 -0.006206 0.002350 -0.001764 -0.000422 35O 1s -0.004112 0.000233 0.002933 0.003348 -0.002474 -0.003880 35O 2s -0.011683 -0.000201 0.007369 0.009108 -0.006251 -0.009785 35O 3s 0.037454 0.022293 0.013699 -0.037688 0.007338 0.012393 35O 4s 0.087982 -0.132598 -0.238767 -0.023073 0.122231 0.177177 35O 5s 1.025888 -0.382106 -1.737389 0.710093 0.205130 -0.244607 35O 1pz -0.037696 -0.030554 0.057074 0.021580 0.009658 -0.007723 35O 1px 0.042855 -0.033548 -0.022313 -0.012277 0.032074 0.019007 35O 1py 0.005157 0.065356 -0.016701 -0.007686 -0.017751 0.000490 35O 2pz 0.040001 -0.019989 -0.055358 0.035664 0.018802 0.008151 35O 2px 0.183491 -0.126261 -0.383067 0.069294 0.104029 0.069939 35O 2py 0.100847 -0.037158 -0.178277 0.057071 0.076071 0.022075 35O 3pz -0.366311 0.130823 0.207949 0.123992 -0.341520 -0.132356 35O 3px 0.107654 0.086026 -0.135032 0.325342 -0.110798 -0.200034 35O 3py -0.266371 -0.143368 0.381354 0.107583 -0.187345 -0.076009 35O 1dz2 0.004375 -0.001074 -0.001898 0.000675 0.001461 0.000970 35O 1dxz -0.000644 0.000915 -0.000170 -0.002017 0.000833 0.000559 35O 1dyz 0.001561 -0.000807 0.000041 -0.001387 0.000870 0.001041 35O 1dx2y2 -0.003154 0.001613 0.002254 0.001469 0.000005 -0.001083 35O 1dxy -0.002720 -0.000283 0.000128 -0.000486 -0.002402 -0.000416 35O 2dz2 -0.059782 -0.232636 0.196820 -0.024349 0.094815 -0.072078 35O 2dxz -0.058252 -0.040192 0.006290 -0.003530 0.083625 0.058817 35O 2dyz 0.032759 0.149322 -0.090964 0.020842 -0.040964 0.022135 35O 2dx2y2 0.019783 -0.072808 -0.079396 0.040432 0.084737 -0.025149 35O 2dxy 0.019876 -0.151336 0.040411 -0.024055 -0.011534 -0.030102 35O 1f0 0.001832 0.000985 0.001479 -0.001980 0.000806 0.000344 35O 1f+1 0.002213 0.000123 0.007378 -0.004402 0.000963 -0.000090 35O 1f-1 0.003619 -0.000145 0.000328 -0.003243 0.000026 0.000917 35O 1f+2 -0.004664 -0.001740 0.000087 0.001182 -0.002407 -0.000548 35O 1f-2 0.000278 0.001164 -0.002074 0.000117 -0.000699 0.000297 35O 1f+3 0.000439 0.001311 0.003311 -0.002748 0.002070 0.000900 35O 1f-3 0.002238 0.003835 0.005044 -0.004100 -0.000229 0.000349 324 325 326 327 328 329 1.53801 1.54035 1.54230 1.55129 1.55459 1.55702 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s -0.000911 -0.001396 0.000889 0.001528 0.000045 -0.000269 0Rh 2s 0.004205 0.005174 -0.003276 -0.005644 -0.000161 0.001066 0Rh 3s -0.002763 -0.005012 0.003205 0.005494 0.000167 -0.000924 0Rh 4s -0.020186 -0.024460 0.015499 0.026755 0.000769 -0.005078 0Rh 5s 0.023691 0.018195 -0.011540 -0.020908 -0.000622 0.004646 0Rh 6s 0.029096 0.083919 -0.053461 -0.085890 -0.002290 0.013002 0Rh 7s -0.399288 -0.248347 0.354936 0.904298 0.017618 -0.164739 0Rh 8s 0.196971 0.042781 0.227205 -0.223308 0.004763 0.063853 0Rh 1pz -0.002217 0.003938 0.002201 0.003077 -0.000656 0.000623 0Rh 1px 0.002682 -0.004797 -0.004953 -0.002012 -0.000805 0.001465 0Rh 1py -0.001284 0.001229 0.003080 -0.007385 0.001328 -0.001639 0Rh 2pz 0.007606 -0.013186 -0.007519 -0.010608 0.002278 -0.002562 0Rh 2px -0.009283 0.015738 0.016973 0.008166 0.002859 -0.005244 0Rh 2py 0.003598 -0.004145 -0.010329 0.025254 -0.004515 0.005155 0Rh 3pz -0.003141 -0.001629 0.002780 0.005603 -0.002165 0.009683 0Rh 3px 0.005774 0.008672 -0.006645 -0.029741 -0.003365 0.006719 0Rh 3py 0.014761 0.000098 -0.000526 -0.008609 0.001134 0.007235 0Rh 4pz -0.031167 0.085762 0.030145 0.037408 0.000017 -0.023702 0Rh 4px 0.028598 -0.129331 -0.071643 0.073223 -0.001611 0.002818 0Rh 4py -0.077411 0.024364 0.060904 -0.110318 0.020575 -0.056796 0Rh 5pz 0.033655 -0.157517 -0.030536 -0.032361 -0.022080 0.067172 0Rh 5px -0.018198 0.245892 0.097692 -0.174086 -0.009177 0.016866 0Rh 5py 0.139669 -0.044103 -0.094710 0.121137 -0.028766 0.091762 0Rh 6pz 0.337385 0.685034 -0.216681 -0.500723 0.358181 -1.048307 0Rh 6px -0.217057 -1.596515 -0.019934 0.528587 0.205141 -0.415323 0Rh 6py -0.516338 -0.048686 -0.065664 1.551693 -0.026324 -0.240766 0Rh 1dz2 0.006943 0.004684 0.001592 -0.001651 -0.011645 -0.009649 0Rh 1dxz 0.006116 0.003470 0.001778 -0.009845 -0.003312 0.009830 0Rh 1dyz 0.001343 0.007637 -0.003961 -0.003359 0.004926 -0.026196 0Rh 1dx2y2 -0.007873 -0.000634 0.001014 0.009860 -0.005747 -0.002409 0Rh 1dxy 0.004214 -0.001851 0.000435 0.008307 0.002283 -0.008162 0Rh 2dz2 -0.001149 -0.000497 -0.000370 0.000247 0.001976 0.000827 0Rh 2dxz -0.001353 -0.000527 -0.000461 0.002555 0.000602 -0.001773 0Rh 2dyz -0.000184 -0.000086 0.000834 0.000621 -0.001944 0.002881 0Rh 2dx2y2 0.002006 0.000334 0.000082 -0.001936 0.000523 0.000226 0Rh 2dxy -0.002473 0.000577 0.000558 -0.001067 -0.000625 -0.000178 0Rh 3dz2 -0.011084 -0.008705 -0.002065 0.002713 0.018572 0.018692 0Rh 3dxz -0.008383 -0.005804 -0.002098 0.011890 0.005179 -0.015206 0Rh 3dyz -0.002295 -0.017277 0.005601 0.005150 -0.003035 0.048312 0Rh 3dx2y2 0.009565 0.000037 -0.002782 -0.014469 0.011238 0.004624 0Rh 3dxy 0.000870 0.001738 -0.003524 -0.014758 -0.002599 0.019624 0Rh 4dz2 -0.022279 -0.010400 -0.007553 0.004714 0.038748 0.022389 0Rh 4dxz -0.023194 -0.008796 -0.008978 0.042881 0.010022 -0.034325 0Rh 4dyz -0.003670 -0.008343 0.014472 0.010740 -0.031543 0.064512 0Rh 4dx2y2 0.034092 0.003316 0.001568 -0.035960 0.011014 0.004645 0Rh 4dxy -0.038249 0.010164 0.009374 -0.020134 -0.010374 0.005676 0Rh 5dz2 0.081824 0.006748 0.040420 -0.013917 -0.157896 -0.103568 0Rh 5dxz 0.069937 -0.015590 0.046496 -0.143338 -0.021878 0.147038 0Rh 5dyz 0.012913 0.029481 -0.042852 -0.021282 0.102296 -0.234233 0Rh 5dx2y2 -0.115685 0.057923 -0.024622 0.137693 -0.030854 -0.007316 0Rh 5dxy 0.153719 -0.021520 -0.055267 0.039819 0.030491 -0.019133 0Rh 1f0 -0.014594 0.003082 -0.002861 -0.036909 0.025032 -0.014572 0Rh 1f+1 -0.008006 -0.018945 0.009445 0.016800 -0.006643 0.004389 0Rh 1f-1 -0.027890 0.014814 0.021640 -0.006923 -0.015146 -0.034127 0Rh 1f+2 -0.020043 0.020221 0.004363 0.005369 0.015989 -0.007281 0Rh 1f-2 -0.015806 -0.022613 0.013196 -0.016090 0.005300 0.003591 0Rh 1f+3 -0.001475 0.004822 0.010624 0.053834 0.006185 -0.007969 0Rh 1f-3 -0.011891 0.003776 -0.012357 -0.005043 -0.000090 -0.016270 1Rh 1s -0.000725 0.001411 -0.000938 0.001492 0.000045 -0.000262 1Rh 2s 0.003494 -0.005268 0.003411 -0.005491 -0.000178 0.001047 1Rh 3s -0.002105 0.005042 -0.003404 0.005382 0.000155 -0.000895 1Rh 4s -0.016819 0.024920 -0.016120 0.026027 0.000842 -0.004989 1Rh 5s 0.021012 -0.018944 0.011587 -0.020181 -0.000723 0.004649 1Rh 6s 0.018299 -0.083583 0.057469 -0.084207 -0.002422 0.012269 1Rh 7s -0.359576 0.250638 -0.392622 0.903185 0.031893 -0.149870 1Rh 8s 0.190008 -0.047039 -0.219693 -0.210546 -0.014958 0.083154 1Rh 1pz 0.002265 0.004004 0.002212 -0.003102 -0.000995 -0.000749 1Rh 1px -0.003216 -0.004739 -0.005062 0.002302 -0.000559 -0.001097 1Rh 1py 0.001384 0.001207 0.002936 0.007477 0.001525 0.001806 1Rh 2pz -0.007740 -0.013434 -0.007587 0.010668 0.003441 0.002990 1Rh 2px 0.011035 0.015543 0.017397 -0.009141 0.001943 0.004009 1Rh 2py -0.003948 -0.004075 -0.009814 -0.025562 -0.005200 -0.005729 1Rh 3pz 0.002557 -0.001143 0.003434 -0.005094 -0.002634 -0.009763 1Rh 3px -0.004780 0.008662 -0.007854 0.029680 -0.001512 -0.006765 1Rh 3py -0.014522 0.000176 -0.001201 0.008613 0.001595 -0.007006 1Rh 4pz 0.034175 0.085336 0.027941 -0.040005 -0.004811 0.021604 1Rh 4px -0.043260 -0.128117 -0.069132 -0.067349 -0.003833 0.004519 1Rh 4py 0.078753 0.023626 0.060555 0.112169 0.022653 0.059236 1Rh 5pz -0.038722 -0.156022 -0.025900 0.038157 -0.016405 -0.064408 1Rh 5px 0.046959 0.243922 0.090986 0.164750 -0.001664 -0.028097 1Rh 5py -0.142675 -0.042599 -0.095786 -0.124342 -0.030041 -0.095294 1Rh 6pz -0.313071 0.656591 -0.238119 0.457384 0.395985 1.050188 1Rh 6px 0.030365 -1.597047 0.009882 -0.496658 0.170026 0.447171 1Rh 6py 0.516591 -0.057944 -0.014383 -1.538183 -0.084187 0.237507 1Rh 1dz2 0.007255 -0.004583 -0.001558 -0.001912 0.011399 -0.009520 1Rh 1dxz 0.006210 -0.003748 -0.001657 -0.010089 0.002694 0.010050 1Rh 1dyz 0.002133 -0.007543 0.003887 -0.002758 -0.005284 -0.026309 1Rh 1dx2y2 -0.007163 0.000517 -0.001592 0.009337 0.006657 -0.002646 1Rh 1dxy 0.005017 0.001829 -0.000666 0.008229 -0.001669 -0.008521 1Rh 2dz2 -0.001161 0.000498 0.000334 0.000274 -0.001951 0.000736 1Rh 2dxz -0.001330 0.000550 0.000435 0.002544 -0.000419 -0.001856 1Rh 2dyz -0.000183 0.000064 -0.000825 0.000483 0.001992 0.002836 1Rh 2dx2y2 0.001906 -0.000327 0.000061 -0.001810 -0.000707 0.000334 1Rh 2dxy -0.002504 -0.000549 -0.000573 -0.001076 0.000593 -0.000134 1Rh 3dz2 -0.011747 0.008474 0.002147 0.003207 -0.018116 0.018790 1Rh 3dxz -0.008701 0.006351 0.001932 0.012515 -0.004528 -0.015350 1Rh 3dyz -0.004127 0.017154 -0.005472 0.004350 0.003661 0.048774 1Rh 3dx2y2 0.008343 0.000201 0.003505 -0.013797 -0.012557 0.004695 1Rh 3dxy -0.000860 -0.001808 0.004123 -0.014538 0.001308 0.020270 1Rh 4dz2 -0.022929 0.010262 0.007036 0.005335 -0.038166 0.020916 1Rh 4dxz -0.023067 0.009413 0.008515 0.042831 -0.007082 -0.035768 1Rh 4dyz -0.004355 0.007965 -0.014244 0.008257 0.032493 0.063972 1Rh 4dx2y2 0.032368 -0.003077 0.000925 -0.033726 -0.014348 0.006575 1Rh 4dxy -0.039287 -0.009759 -0.009399 -0.020175 0.009443 0.006612 1Rh 5dz2 0.088804 -0.005834 -0.038950 -0.017114 0.155456 -0.097404 1Rh 5dxz 0.074006 0.012326 -0.045192 -0.142723 0.012623 0.152799 1Rh 5dyz 0.016258 -0.028265 0.041259 -0.012256 -0.105325 -0.232564 1Rh 5dx2y2 -0.117693 -0.058818 0.015733 0.130480 0.042949 -0.016331 1Rh 5dxy 0.154220 0.020041 0.056258 0.040171 -0.028253 -0.022675 1Rh 1f0 0.012852 0.003476 -0.003271 0.036646 0.026920 0.014616 1Rh 1f+1 0.010361 -0.018507 0.009947 -0.015406 -0.008398 -0.006039 1Rh 1f-1 0.026105 0.014038 0.021601 0.006470 -0.015073 0.034053 1Rh 1f+2 0.016878 0.021035 0.006342 -0.006121 0.015141 0.006828 1Rh 1f-2 0.018552 -0.022751 0.013434 0.015934 0.005566 -0.004342 1Rh 1f+3 0.002896 0.004638 0.011828 -0.054354 0.003044 0.006999 1Rh 1f-3 0.009019 0.003804 -0.011935 0.003813 -0.000714 0.016535 2C 1s -0.006281 0.025603 0.022571 0.007959 -0.010309 -0.020315 2C 2s -0.019093 0.077466 0.068121 0.022765 -0.031503 -0.060711 2C 3s 0.212123 -0.857301 -0.756997 -0.221546 0.343155 0.739314 2C 4s -0.548358 2.166471 1.909761 0.432060 -0.891081 -1.999754 2C 5s 0.223469 -3.772120 -3.556673 -1.105893 1.759187 3.112316 2C 1pz 0.001485 0.082122 0.011620 -0.072990 0.079921 -0.319524 2C 1px -0.040927 0.158144 0.130848 0.086847 -0.194897 -0.073480 2C 1py -0.056266 0.157381 0.216890 0.202814 -0.112292 0.009281 2C 2pz 0.007536 -0.386325 -0.178479 0.033976 -0.221139 1.057552 2C 2px 0.123805 -0.584423 -0.397120 -0.339946 0.618732 0.242450 2C 2py 0.189463 -0.598491 -0.745524 -0.779543 0.397133 0.040560 2C 3pz 0.002947 -0.326282 -0.442341 -0.349902 0.423626 -0.009647 2C 3px -0.051603 0.274063 0.215572 0.105331 -0.244531 -0.069527 2C 3py -0.169344 -0.137916 -0.059912 0.356307 -0.132817 0.414950 2C 1dz2 -0.002103 -0.001169 0.002514 -0.002277 0.009721 0.000121 2C 1dxz 0.001704 0.010098 0.000493 0.003477 -0.003921 -0.001324 2C 1dyz -0.000342 -0.005956 -0.005283 0.003947 -0.004476 0.006060 2C 1dx2y2 0.005156 -0.003404 -0.004437 -0.011180 0.009147 -0.002060 2C 1dxy -0.000058 0.010076 0.007127 0.007117 -0.000980 0.007094 2C 2dz2 0.086361 -0.221589 -0.245416 -0.190365 0.041680 0.174501 2C 2dxz -0.003148 -0.080207 -0.094232 -0.138003 -0.104135 0.070067 2C 2dyz 0.085838 -0.329143 -0.257100 -0.186782 0.161440 0.351831 2C 2dx2y2 0.062071 -0.030810 -0.086031 -0.115755 0.140057 -0.221068 2C 2dxy -0.057860 0.033179 0.152452 0.128631 -0.086513 0.231541 2C 1f0 0.002616 0.010664 0.001182 -0.006731 0.011641 -0.036976 2C 1f+1 0.004372 0.010062 0.011755 0.006725 -0.001951 -0.002144 2C 1f-1 -0.017708 0.034614 0.033463 0.015825 -0.012543 -0.043849 2C 1f+2 -0.006864 -0.045584 -0.037084 -0.011578 0.012421 0.057031 2C 1f-2 -0.022410 0.052814 0.048587 0.018818 -0.025208 -0.059485 2C 1f+3 0.015476 -0.045205 -0.044604 -0.020164 0.012405 0.038101 2C 1f-3 -0.015153 -0.014580 -0.000641 -0.001554 0.012530 0.010872 3C 1s -0.010503 -0.007893 -0.022243 0.009568 -0.024365 0.016826 3C 2s -0.031263 -0.024143 -0.067171 0.027797 -0.073719 0.050396 3C 3s 0.340514 0.265011 0.744312 -0.284134 0.816910 -0.633376 3C 4s -0.808565 -0.662877 -1.897983 0.605839 -2.062296 1.772084 3C 5s 1.939155 0.802372 3.309693 -1.010335 4.183675 -2.687492 3C 1pz -0.053336 0.119696 0.076522 0.082283 0.082775 0.004381 3C 1px -0.076576 -0.016990 -0.131889 0.166012 0.171348 -0.064452 3C 1py 0.044024 0.103840 0.181649 0.024446 0.284780 -0.317861 3C 2pz 0.270842 -0.306777 -0.160426 -0.407134 -0.166325 -0.050905 3C 2px 0.261942 -0.019175 0.500849 -0.518752 -0.501695 0.236962 3C 2py -0.260897 -0.362972 -0.657906 0.119903 -1.034190 1.011066 3C 3pz 0.097728 0.181892 0.388076 0.111555 0.681828 -0.361693 3C 3px -0.048408 -0.070653 -0.077118 0.338886 0.498036 -0.243256 3C 3py -0.190673 0.022554 -0.138361 0.229688 -0.013634 -0.094475 3C 1dz2 0.000110 -0.008917 -0.003879 0.001184 0.008569 0.001804 3C 1dxz -0.002878 0.003330 -0.002526 0.008756 0.012505 -0.010360 3C 1dyz 0.000274 0.001785 -0.006500 -0.005399 -0.005136 0.008108 3C 1dx2y2 -0.002110 0.007939 -0.000112 -0.002330 0.011454 -0.003016 3C 1dxy 0.003879 -0.003470 0.010351 0.003390 -0.001070 0.003751 3C 2dz2 -0.006195 -0.019186 -0.053580 -0.007645 -0.109311 0.104514 3C 2dxz 0.032451 0.003074 0.109967 0.187227 0.354534 -0.283118 3C 2dyz -0.102563 -0.217211 -0.342382 0.154321 -0.208345 0.286233 3C 2dx2y2 -0.130629 0.030173 0.004486 0.281040 -0.008964 0.115034 3C 2dxy -0.111727 0.100998 -0.115090 0.077604 -0.078002 0.108986 3C 1f0 -0.012933 0.014650 -0.004129 0.003559 -0.001329 -0.005411 3C 1f+1 0.012121 -0.015681 0.015157 0.014236 -0.013525 0.011280 3C 1f-1 -0.005975 -0.021227 -0.025385 0.011413 -0.037291 0.034093 3C 1f+2 0.024378 0.022143 0.057256 -0.029436 0.064363 -0.071062 3C 1f-2 0.035837 0.000408 0.054257 -0.007469 0.044181 -0.050675 3C 1f+3 -0.006013 -0.008566 -0.002343 0.027274 0.001052 0.004248 3C 1f-3 0.004658 -0.016565 -0.003346 0.016925 0.016535 -0.009160 4C 1s 0.003596 -0.012116 -0.011251 -0.003602 0.005045 0.023084 4C 2s 0.011980 -0.040125 -0.037354 -0.012994 0.016530 0.073528 4C 3s -0.155722 0.608452 0.559299 0.219212 -0.263023 -0.995948 4C 4s 0.498529 -1.817157 -1.647737 -0.865653 0.921771 2.732827 4C 5s -0.284866 1.248505 0.878952 0.207026 -0.804745 -1.439594 4C 1pz -0.000837 -0.004797 -0.023984 0.051228 -0.130560 0.027406 4C 1px -0.061141 -0.015629 -0.053579 0.050921 -0.045291 -0.001266 4C 1py 0.038842 0.053724 0.068735 -0.155802 0.180332 -0.097742 4C 2pz 0.067356 -0.560024 -0.468619 -0.430419 0.416128 0.615501 4C 2px 0.252466 -0.013262 0.186571 -0.261838 -0.069751 0.524517 4C 2py 0.058353 -0.463667 -0.384445 -0.069906 -0.230804 0.740423 4C 3pz -0.502941 -0.733470 -0.951539 -0.058411 0.275791 0.282257 4C 3px 0.154771 -0.024239 -0.417410 0.139122 -0.118056 0.073597 4C 3py -0.068078 -0.328169 -0.599464 -0.404823 0.389700 0.059302 4C 1dz2 0.000781 0.002653 -0.000881 0.004901 -0.010398 0.002232 4C 1dxz -0.005276 0.002197 0.008204 0.005321 -0.011975 -0.005321 4C 1dyz -0.004212 0.004776 0.003491 0.006261 -0.003179 0.010897 4C 1dx2y2 0.004196 -0.012579 -0.010950 -0.007994 -0.006229 0.007291 4C 1dxy -0.002308 -0.008896 -0.008888 -0.002930 0.016766 -0.003437 4C 2dz2 0.002123 0.269469 0.086199 0.262832 -0.091638 -0.317314 4C 2dxz -0.005124 0.023124 0.281293 -0.014272 -0.038833 -0.114466 4C 2dyz -0.032142 0.106827 0.060498 0.125048 0.015772 -0.123353 4C 2dx2y2 0.025493 -0.319593 -0.289578 -0.258934 0.050564 0.407600 4C 2dxy -0.022007 -0.220719 -0.014919 -0.084206 -0.041232 0.273098 4C 1f0 -0.000409 0.015843 0.012892 -0.000898 0.007104 -0.024011 4C 1f+1 -0.007726 0.034752 0.029481 0.021159 -0.023118 -0.045692 4C 1f-1 -0.007701 0.006334 0.008259 -0.000178 -0.014414 -0.001096 4C 1f+2 -0.003443 -0.030038 -0.024975 -0.001731 0.011206 0.031383 4C 1f-2 0.005535 0.010028 0.007492 -0.004461 -0.005539 0.010093 4C 1f+3 0.005922 0.005689 0.003301 -0.000477 0.008492 -0.006704 4C 1f-3 -0.011765 0.024200 0.023381 0.008223 -0.004080 -0.054490 5C 1s 0.003832 0.004954 0.012011 -0.004226 0.011825 -0.020218 5C 2s 0.013306 0.015925 0.039326 -0.014965 0.039290 -0.063888 5C 3s -0.244398 -0.242289 -0.552136 0.237928 -0.620431 0.853699 5C 4s 0.809474 0.831700 1.597387 -0.892538 1.933405 -2.245335 5C 5s -0.410165 -0.305027 -1.060887 0.319060 -1.412876 1.267677 5C 1pz 0.024865 0.075831 0.052869 -0.123203 -0.212517 0.111698 5C 1px 0.081122 -0.049433 0.036527 -0.004588 -0.051327 0.035640 5C 1py 0.026200 0.031260 0.070886 -0.023029 -0.122639 0.020099 5C 2pz 0.286112 0.000258 0.180923 -0.114129 0.631360 -0.609896 5C 2px -0.426756 0.109233 0.127938 0.010309 0.300073 -0.151435 5C 2py -0.421759 -0.230088 -0.563137 0.426884 -0.250598 0.608307 5C 3pz 0.454310 -0.045489 0.415400 -0.036285 0.346665 0.075054 5C 3px 0.063032 0.498587 -0.051980 -0.768518 0.407605 -0.184664 5C 3py -0.600037 0.141897 -0.665621 -0.245942 -1.327862 0.207128 5C 1dz2 -0.004007 0.002417 -0.005095 0.004775 -0.007697 0.004067 5C 1dxz -0.002611 -0.002007 -0.000865 0.006936 -0.029465 0.005461 5C 1dyz 0.002840 -0.003620 -0.001021 -0.003386 0.002800 0.010280 5C 1dx2y2 0.006130 0.006325 0.014492 -0.005559 0.000315 0.005004 5C 1dxy -0.003377 0.008327 0.001821 -0.008572 -0.003613 0.002294 5C 2dz2 -0.044414 0.058320 -0.119493 -0.025354 -0.197091 0.133528 5C 2dxz -0.197766 -0.174309 -0.070997 0.280051 -0.188892 0.257568 5C 2dyz -0.042794 -0.089687 0.087089 0.014243 0.010575 0.057774 5C 2dx2y2 0.177271 -0.079671 0.360369 -0.066567 0.263224 -0.252720 5C 2dxy 0.234155 0.264157 -0.054930 -0.352458 0.181718 -0.258783 5C 1f0 -0.012166 -0.009154 -0.010456 0.009902 0.003357 0.016969 5C 1f+1 0.005087 -0.006493 -0.006370 0.004576 -0.024064 0.032622 5C 1f-1 -0.001218 0.006191 0.004767 -0.002710 0.000087 -0.000397 5C 1f+2 -0.001611 0.016220 0.002736 -0.000376 0.010884 0.001549 5C 1f-2 0.022344 0.001712 0.022280 0.000420 0.025520 -0.030603 5C 1f+3 -0.009199 -0.011968 -0.032264 0.012764 -0.021138 0.018832 5C 1f-3 0.014162 0.015525 0.022117 -0.014629 0.041713 -0.050245 6C 1s 0.003091 -0.005035 -0.012107 -0.003872 -0.011962 -0.020768 6C 2s 0.010864 -0.016225 -0.039595 -0.013802 -0.039814 -0.065636 6C 3s -0.206436 0.247741 0.554989 0.218231 0.629366 0.874467 6C 4s 0.697081 -0.845591 -1.593645 -0.828595 -1.974141 -2.300998 6C 5s -0.304201 0.329893 1.076213 0.274061 1.416403 1.270293 6C 1pz -0.030163 0.079287 0.051369 0.135152 -0.205527 -0.113183 6C 1px -0.077233 -0.047875 0.034505 0.008712 -0.049237 -0.036217 6C 1py -0.026692 0.033716 0.071808 0.031978 -0.121496 -0.020893 6C 2pz -0.251636 -0.002157 0.174577 0.085620 0.636499 0.621723 6C 2px 0.420403 0.114149 0.141949 -0.018414 0.296088 0.149680 6C 2py 0.382424 -0.236568 -0.554416 -0.425671 -0.272160 -0.618419 6C 3pz -0.453198 -0.029356 0.414456 0.031875 0.355809 -0.069915 6C 3px -0.045396 0.499955 -0.057205 0.747553 0.440425 0.204267 6C 3py 0.569216 0.129118 -0.673279 0.299862 -1.316027 -0.224207 6C 1dz2 -0.003800 -0.001900 0.005241 0.004838 0.007961 0.004357 6C 1dxz -0.001642 0.002192 0.000813 0.005797 0.029837 0.005504 6C 1dyz 0.002922 0.003353 0.001234 -0.003496 -0.003164 0.010426 6C 1dx2y2 0.006196 -0.006140 -0.013947 -0.005792 -0.000772 0.004988 6C 1dxy -0.003629 -0.008221 -0.001793 -0.008775 0.003323 0.002402 6C 2dz2 -0.042968 -0.054018 0.123297 -0.029732 0.197566 0.136311 6C 2dxz -0.173298 0.175584 0.064028 0.270647 0.199987 0.264586 6C 2dyz -0.034897 0.087865 -0.086103 0.010551 -0.012756 0.059432 6C 2dx2y2 0.168219 0.073187 -0.361126 -0.062109 -0.269037 -0.256093 6C 2dxy 0.200681 -0.260211 0.066341 -0.338344 -0.197117 -0.266370 6C 1f0 0.011353 -0.009223 -0.010073 -0.009806 0.002986 -0.017435 6C 1f+1 -0.006091 -0.006416 -0.006748 -0.003630 -0.024261 -0.033251 6C 1f-1 0.001611 0.006107 0.004825 0.002579 0.000003 0.000222 6C 1f+2 0.002107 0.016090 0.002744 -0.000156 0.010501 -0.001769 6C 1f-2 -0.021090 0.001732 0.022066 -0.001244 0.025567 0.031111 6C 1f+3 0.007266 -0.012671 -0.032526 -0.012610 -0.021666 -0.019387 6C 1f-3 -0.011880 0.015867 0.022392 0.012988 0.042068 0.050796 7C 1s 0.003182 0.011959 0.011404 -0.003043 -0.005097 0.023132 7C 2s 0.010684 0.039587 0.037864 -0.011172 -0.016796 0.073702 7C 3s -0.141343 -0.598698 -0.565594 0.194407 0.270897 -0.998012 7C 4s 0.464190 1.788541 1.673553 -0.794653 -0.961516 2.736848 7C 5s -0.259940 -1.224498 -0.878477 0.139899 0.832328 -1.442538 7C 1pz -0.000376 -0.004782 -0.021279 -0.045025 -0.134578 -0.028597 7C 1px 0.050776 -0.016052 -0.051573 -0.050541 -0.050650 0.000819 7C 1py -0.036806 0.053356 0.061764 0.147747 0.192980 0.099644 7C 2pz -0.060058 -0.555989 -0.486026 0.400004 0.444644 -0.616172 7C 2px -0.244461 0.002901 0.179635 0.267148 -0.064195 -0.523952 7C 2py -0.059502 -0.453646 -0.383380 0.073292 -0.236068 -0.745167 7C 3pz 0.469522 -0.714068 -0.931974 0.013834 0.272593 -0.292321 7C 3px -0.102796 -0.023487 -0.401575 -0.138456 -0.118591 -0.067788 7C 3py 0.097597 -0.317775 -0.599700 0.371133 0.422471 -0.064373 7C 1dz2 0.000467 -0.003065 0.000372 0.004793 0.010616 0.001895 7C 1dxz -0.004387 -0.002337 -0.008489 0.004938 0.012554 -0.005311 7C 1dyz -0.004180 -0.004584 -0.003486 0.006157 0.003619 0.011116 7C 1dx2y2 0.004525 0.012170 0.011041 -0.008075 0.005826 0.007218 7C 1dxy -0.002320 0.008819 0.008852 -0.002034 -0.016486 -0.003440 7C 2dz2 -0.019874 -0.263272 -0.095648 0.253359 0.098070 -0.321258 7C 2dxz 0.024422 -0.025152 -0.279682 -0.020070 0.052009 -0.111588 7C 2dyz -0.031209 -0.105208 -0.065605 0.123380 -0.008475 -0.124085 7C 2dx2y2 0.024509 0.311607 0.294379 -0.248688 -0.062687 0.410090 7C 2dxy 0.002430 0.212243 0.016457 -0.082618 0.047377 0.277918 7C 1f0 0.000001 0.015375 0.012643 0.000710 0.006650 0.023986 7C 1f+1 0.007720 0.033815 0.029818 -0.019283 -0.023665 0.045539 7C 1f-1 0.006465 0.006200 0.008124 0.000502 -0.014266 0.001036 7C 1f+2 0.003443 -0.029910 -0.025053 0.001000 0.011778 -0.031428 7C 1f-2 -0.004730 0.010335 0.007404 0.004473 -0.005012 -0.009780 7C 1f+3 -0.004086 0.005057 0.002964 0.000318 0.008942 0.006355 7C 1f-3 0.010866 0.023777 0.023717 -0.007874 -0.004376 0.054750 8C 1s -0.009112 0.008224 0.022226 0.008775 0.024634 0.017105 8C 2s -0.027061 0.025136 0.067164 0.025391 0.074442 0.051225 8C 3s 0.293698 -0.276518 -0.746581 -0.257278 -0.823503 -0.644169 8C 4s -0.693709 0.693349 1.911967 0.537798 2.071973 1.802110 8C 5s 1.737165 -0.864007 -3.325418 -0.869235 -4.211359 -2.736267 8C 1pz 0.053655 0.114269 0.073500 -0.087646 0.083279 -0.001266 8C 1px 0.077345 -0.021076 -0.131309 -0.174561 0.156164 0.055343 8C 1py -0.030436 0.102355 0.181353 -0.037057 0.282208 0.321413 8C 2pz -0.259844 -0.289276 -0.156969 0.420504 -0.160223 0.040599 8C 2px -0.268696 -0.005254 0.497815 0.547336 -0.452461 -0.210052 8C 2py 0.206265 -0.359737 -0.649047 -0.076585 -1.037025 -1.022485 8C 3pz -0.074782 0.177159 0.387109 -0.142644 0.680245 0.374215 8C 3px 0.063927 -0.074815 -0.073405 -0.361181 0.469252 0.229242 8C 3py 0.188728 0.011277 -0.140315 -0.235095 -0.027150 0.090195 8C 1dz2 0.000256 0.008742 0.003717 0.001530 -0.008644 0.001692 8C 1dxz -0.003719 -0.003401 0.002265 0.009469 -0.011687 -0.010171 8C 1dyz 0.000112 -0.001788 0.006710 -0.005515 0.004937 0.008455 8C 1dx2y2 -0.002586 -0.007718 0.000332 -0.001839 -0.011493 -0.003206 8C 1dxy 0.004365 0.003397 -0.010224 0.003098 0.000993 0.003781 8C 2dz2 -0.004009 0.019429 0.053195 -0.009025 0.106369 0.103340 8C 2dxz 0.016396 -0.004307 -0.113546 0.203584 -0.340959 -0.277801 8C 2dyz -0.086050 0.214732 0.337264 0.147846 0.217283 0.295380 8C 2dx2y2 -0.122045 -0.022957 -0.005359 0.280487 0.023712 0.119886 8C 2dxy -0.104529 -0.096586 0.113940 0.078195 0.080602 0.107935 8C 1f0 0.012201 0.013610 -0.004247 -0.004055 -0.001793 0.005390 8C 1f+1 -0.013096 -0.015469 0.015695 -0.013025 -0.012653 -0.010199 8C 1f-1 0.003965 -0.021572 -0.024894 -0.010156 -0.037631 -0.034607 8C 1f+2 -0.020172 0.023174 0.056911 0.027584 0.064985 0.072020 8C 1f-2 -0.032651 0.001834 0.054942 0.006485 0.045092 0.052226 8C 1f+3 0.005564 -0.008716 -0.002074 -0.026944 -0.000213 -0.004717 8C 1f-3 -0.004473 -0.016256 -0.002544 -0.017543 0.015940 0.009057 9C 1s -0.005959 -0.025320 -0.022745 0.007299 0.010762 -0.020364 9C 2s -0.018075 -0.076624 -0.068591 0.020809 0.032795 -0.060852 9C 3s 0.200117 0.847089 0.760841 -0.198836 -0.355368 0.740802 9C 4s -0.516986 -2.139571 -1.915175 0.371671 0.913124 -2.002929 9C 5s 0.194275 3.710910 3.559080 -0.953033 -1.823443 3.129285 9C 1pz -0.002609 0.079053 0.008507 0.070619 0.082457 0.320112 9C 1px 0.030738 0.156200 0.129952 -0.070235 -0.183311 0.080649 9C 1py 0.057601 0.156782 0.224489 -0.192841 -0.124942 -0.009606 9C 2pz -0.002201 -0.375478 -0.175561 -0.030896 -0.216071 -1.060406 9C 2px -0.103663 -0.576850 -0.396619 0.287109 0.582215 -0.265363 9C 2py -0.195470 -0.594344 -0.773674 0.744470 0.445250 -0.040089 9C 3pz 0.006352 -0.322672 -0.448921 0.319365 0.443561 0.006474 9C 3px 0.034652 0.273737 0.213047 -0.081243 -0.221792 0.083217 9C 3py 0.162269 -0.130424 -0.042736 -0.355361 -0.156437 -0.415610 9C 1dz2 -0.001714 0.001255 -0.002377 -0.001824 -0.009805 0.000358 9C 1dxz 0.000890 -0.010161 -0.000623 0.003179 0.003330 -0.001643 9C 1dyz -0.000390 0.005800 0.005080 0.003949 0.005038 0.005972 9C 1dx2y2 0.004733 0.003528 0.005036 -0.010935 -0.009492 -0.002181 9C 1dxy -0.000783 -0.009808 -0.007133 0.006665 0.000905 0.007018 9C 2dz2 0.075186 0.216670 0.247696 -0.181758 -0.053608 0.172684 9C 2dxz 0.012865 0.072957 0.097062 -0.138736 0.090199 0.065134 9C 2dyz 0.080790 0.327754 0.267140 -0.175992 -0.164519 0.353838 9C 2dx2y2 0.054933 0.031782 0.091454 -0.111093 -0.138411 -0.227300 9C 2dxy -0.047015 -0.028405 -0.149065 0.117410 0.088388 0.232260 9C 1f0 -0.002069 0.010039 0.000589 0.006351 0.011444 0.036751 9C 1f+1 -0.003413 0.009685 0.011721 -0.005767 -0.002212 0.002640 9C 1f-1 0.015932 0.033521 0.033321 -0.014526 -0.012816 0.043198 9C 1f+2 0.003309 -0.046499 -0.039157 0.010713 0.014313 -0.059067 9C 1f-2 0.019313 0.051553 0.048416 -0.016807 -0.025446 0.058879 9C 1f+3 -0.014750 -0.043253 -0.044408 0.018659 0.012948 -0.036914 9C 1f-3 0.011078 -0.016387 -0.003095 0.001382 0.012359 -0.012993 10H 1s 0.005565 0.020945 0.024913 -0.003195 0.007082 -0.054628 10H 2s -0.008376 -0.210912 -0.205540 0.039107 -0.345564 0.680726 10H 3s -0.073709 0.366063 0.344177 0.005541 0.118011 -0.607170 10H 1pz -0.147476 -0.120098 -0.027236 0.024583 0.007371 0.138945 10H 1px -0.041411 -0.007327 0.015950 -0.015037 0.083141 -0.072038 10H 1py 0.261694 -0.057290 -0.144927 -0.140485 0.065024 -0.015532 11H 1s -0.001380 0.043857 0.027857 0.002883 -0.011262 -0.075140 11H 2s 0.091510 -0.527520 -0.239495 0.108609 0.230560 0.943512 11H 3s -0.055972 0.801047 0.536119 -0.018277 -0.284367 -0.933171 11H 1pz 0.152114 -0.046706 -0.076492 -0.041066 -0.006337 0.100132 11H 1px -0.203237 -0.125739 -0.016847 0.007608 0.124061 0.109749 11H 1py -0.122099 0.018689 0.026430 -0.060775 0.087338 -0.114722 12H 1s -0.020848 0.056403 0.055406 0.041607 -0.031167 -0.038747 12H 2s 0.327825 -0.887802 -0.992045 -0.742713 0.584076 0.221476 12H 3s -0.240140 0.953111 0.946778 0.689590 -0.661734 -0.332033 12H 1pz -0.002355 0.047983 0.070739 0.104692 -0.155852 0.100537 12H 1px 0.283671 -0.087913 -0.175225 -0.102754 0.026003 0.047653 12H 1py -0.072389 -0.133104 -0.105764 -0.078060 0.092119 0.062937 13H 1s -0.021883 -0.004733 -0.020832 0.004086 -0.051328 0.062729 13H 2s 0.235966 -0.037056 0.174141 0.009880 0.812912 -0.740082 13H 3s -0.242645 -0.068709 -0.320400 0.063134 -0.837998 0.636622 13H 1pz -0.123098 0.177335 -0.120086 -0.211858 0.013416 -0.049049 13H 1px -0.102229 0.108695 -0.070185 -0.133269 -0.162042 0.112842 13H 1py -0.173289 0.135208 -0.215045 -0.124208 -0.119731 0.104786 14H 1s -0.021508 0.000505 -0.029780 0.040325 -0.003609 0.021663 14H 2s 0.348472 -0.043087 0.359439 -0.726448 -0.229461 -0.036192 14H 3s -0.437048 -0.039728 -0.592604 0.572767 -0.090292 0.155623 14H 1pz 0.225664 -0.224044 0.203693 0.145744 0.000946 -0.025083 14H 1px -0.051533 0.146745 -0.010287 -0.226678 0.003773 -0.025670 14H 1py 0.070148 -0.098013 0.056745 0.003447 -0.200173 0.129479 15H 1s -0.013131 -0.022361 -0.055122 0.003485 -0.059559 0.071136 15H 2s 0.142498 0.530701 0.868699 -0.004817 0.872681 -0.822103 15H 3s -0.323188 -0.396113 -0.922756 0.063784 -1.099127 0.835040 15H 1pz -0.033823 -0.051225 -0.133494 -0.043824 -0.201269 0.126938 15H 1px 0.255491 -0.245783 0.290328 0.176976 -0.081784 0.027597 15H 1py 0.042297 -0.141393 -0.024275 0.104902 -0.090280 0.116849 16H 1s 0.012026 0.032567 -0.000832 -0.011924 0.058965 -0.090298 16H 2s -0.204081 -0.387982 0.017673 0.223453 -0.352805 0.524773 16H 3s 0.002891 0.128917 -0.057798 -0.024713 0.083098 -0.221014 16H 1pz -0.009012 -0.037505 -0.002192 0.009674 -0.026133 0.053411 16H 1px 0.031933 -0.016800 -0.024838 -0.098996 -0.004355 0.010445 16H 1py 0.020904 0.010198 -0.003772 -0.036793 -0.071365 0.119152 17H 1s 0.000991 0.027719 0.023738 0.000600 -0.067024 0.079250 17H 2s -0.109817 -0.343964 -0.139328 0.094183 0.410514 -0.529352 17H 3s -0.052506 0.113195 0.000083 -0.027349 -0.093900 0.189847 17H 1pz -0.016893 0.004112 0.025684 0.058430 0.011641 0.001297 17H 1px 0.040138 0.040568 -0.014575 -0.121509 -0.041109 0.033674 17H 1py 0.050133 0.020667 -0.037320 -0.088466 0.064432 -0.112140 18H 1s -0.003300 -0.028249 -0.023547 0.000794 0.067422 0.078308 18H 2s -0.063127 0.345680 0.132295 0.090693 -0.401432 -0.533990 18H 3s -0.068128 -0.113702 0.000787 -0.028200 0.092450 0.187698 18H 1pz 0.022085 0.002978 0.028589 -0.059961 0.006323 -0.003306 18H 1px -0.038250 0.041005 -0.018010 0.117911 -0.035066 -0.033663 18H 1py -0.050481 0.020265 -0.039139 0.084280 0.070140 0.111079 19H 1s 0.010931 -0.031874 0.001527 -0.007920 -0.058214 -0.088474 19H 2s -0.177319 0.381139 -0.028178 0.192160 0.364525 0.506843 19H 3s -0.006283 -0.125250 0.060968 -0.017391 -0.084528 -0.219268 19H 1pz 0.007569 -0.037753 -0.000973 -0.007559 -0.024262 -0.049568 19H 1px -0.027171 -0.016320 -0.028940 0.098823 0.000416 -0.010374 19H 1py -0.016722 0.010495 -0.007108 0.039644 -0.068351 -0.119981 20H 1s -0.010593 0.022199 0.055058 0.001179 0.059723 0.072762 20H 2s 0.100663 -0.524240 -0.864352 0.028706 -0.874400 -0.841736 20H 3s -0.274597 0.397757 0.922195 0.023504 1.099828 0.851309 20H 1pz 0.024403 -0.052131 -0.131207 0.050548 -0.201166 -0.130150 20H 1px -0.248941 -0.240238 0.289168 -0.169778 -0.085066 -0.027638 20H 1py -0.046534 -0.140778 -0.022631 -0.101432 -0.093825 -0.119355 21H 1s -0.020381 0.000763 0.030146 0.040850 0.005952 0.022806 21H 2s 0.339125 0.024923 -0.357911 -0.744934 0.186711 -0.056642 21H 3s -0.419179 0.059398 0.591954 0.580267 0.121838 0.171745 21H 1pz -0.217001 -0.218489 0.202751 -0.141793 -0.005743 0.022494 21H 1px 0.053954 0.149835 -0.011019 0.227588 0.015854 0.031250 21H 1py -0.073974 -0.094604 0.055625 0.007754 -0.198188 -0.129466 22H 1s -0.017909 0.005614 0.021201 0.002137 0.050583 0.062554 22H 2s 0.190402 0.025829 -0.180827 0.043002 -0.793652 -0.729437 22H 3s -0.197639 0.079347 0.326896 0.030235 0.825212 0.628925 22H 1pz 0.121873 0.178113 -0.119085 0.211531 0.019339 0.050138 22H 1px 0.092145 0.105562 -0.069008 0.137888 -0.152419 -0.108850 22H 1py 0.164158 0.132387 -0.214602 0.126979 -0.116187 -0.105505 23H 1s -0.019887 -0.055230 -0.056637 0.038655 0.032668 -0.038801 23H 2s 0.309345 0.873720 1.008660 -0.694059 -0.607278 0.219591 23H 3s -0.227321 -0.941577 -0.963023 0.641186 0.686454 -0.336643 23H 1pz 0.006412 0.049356 0.075813 -0.096537 -0.159226 -0.099714 23H 1px -0.230173 -0.084157 -0.170142 0.099781 0.026418 -0.046051 23H 1py 0.047779 -0.132029 -0.112260 0.070519 0.095006 -0.064202 24H 1s -0.001145 -0.043489 -0.027857 0.001476 0.010245 -0.075683 24H 2s 0.071549 0.526997 0.238044 0.121897 -0.206405 0.956679 24H 3s -0.045522 -0.792492 -0.532131 -0.041363 0.267393 -0.942563 24H 1pz -0.124913 -0.045579 -0.076014 0.043091 -0.002582 -0.097800 24H 1px 0.160730 -0.125607 -0.021262 -0.018513 0.116036 -0.117140 24H 1py 0.096263 0.015796 0.020242 0.055105 0.093323 0.113207 25H 1s 0.005400 -0.020199 -0.024703 -0.003778 -0.005368 -0.054300 25H 2s 0.009266 0.201757 0.205338 0.023996 0.312297 0.673818 25H 3s -0.078552 -0.356359 -0.344079 0.009772 -0.090883 -0.600804 25H 1pz 0.117043 -0.117813 -0.028149 -0.028990 0.003819 -0.142432 25H 1px 0.039300 -0.008005 0.017077 0.007169 0.074582 0.067846 25H 1py -0.212875 -0.057123 -0.144340 0.138222 0.073616 0.018332 26O 1s -0.001042 0.001464 0.000457 -0.001050 0.000996 -0.002412 26O 2s -0.002801 0.006246 0.001588 -0.001882 0.002277 -0.009189 26O 3s 0.012718 -0.076439 -0.023712 -0.021481 0.005590 0.108583 26O 4s 0.024159 0.301956 0.069123 0.156928 -0.085785 -0.420780 26O 5s -0.390182 0.839758 0.770936 0.721374 0.117909 -1.394867 26O 1pz -0.008606 0.007361 0.019106 0.006421 0.000308 -0.003508 26O 1px -0.007646 0.004742 0.011267 -0.011396 0.002421 0.001795 26O 1py -0.030249 -0.021704 -0.008930 0.014900 -0.018361 0.000711 26O 2pz -0.009012 -0.058429 -0.043208 -0.026563 0.004949 0.069219 26O 2px 0.033084 -0.284798 -0.105078 -0.144507 0.032429 0.386582 26O 2py 0.007801 -0.136271 -0.049203 -0.080275 0.022054 0.190630 26O 3pz 0.097533 0.187128 -0.091621 0.115587 -0.053630 0.086590 26O 3px 0.210405 -0.054130 -0.398862 -0.276165 0.057343 0.582596 26O 3py 0.237026 0.100775 -0.247222 -0.242155 0.137599 0.160115 26O 1dz2 0.001013 0.000911 -0.000681 0.001308 -0.001504 -0.001872 26O 1dxz 0.001298 -0.001203 -0.002546 -0.001029 -0.001177 0.000740 26O 1dyz 0.000968 0.001477 -0.000371 -0.000467 -0.000416 -0.001251 26O 1dx2y2 -0.000729 -0.001199 -0.000790 0.001429 -0.000206 0.001746 26O 1dxy 0.001184 -0.001214 -0.001622 -0.003781 0.000538 0.000657 26O 2dz2 -0.074870 -0.066047 -0.074863 0.048814 -0.031881 0.129313 26O 2dxz 0.024907 -0.020186 0.005582 0.012199 0.014618 -0.050158 26O 2dyz 0.058897 0.061908 -0.014213 -0.035718 0.059471 -0.011591 26O 2dx2y2 -0.073144 0.021514 -0.021123 0.048698 0.050352 -0.110573 26O 2dxy -0.052486 0.000271 0.006834 0.053113 -0.077701 -0.089946 26O 1f0 -0.000559 0.001097 0.000517 -0.001823 0.003025 -0.002970 26O 1f+1 -0.002264 0.005741 0.004114 0.001006 0.001133 -0.010463 26O 1f-1 -0.001302 0.002858 0.002463 0.001568 -0.001295 -0.005353 26O 1f+2 0.000273 -0.001263 -0.002105 -0.000975 0.000493 0.001774 26O 1f-2 -0.001022 -0.002202 -0.000254 0.000787 -0.001023 0.001096 26O 1f+3 -0.002599 0.002361 0.002294 0.001026 0.002259 -0.005889 26O 1f-3 -0.002530 0.007350 0.003859 0.004371 -0.005146 -0.011406 27O 1s 0.001444 -0.005119 0.002104 0.000688 -0.002034 0.003988 27O 2s 0.002910 -0.013278 0.003702 0.002283 -0.006742 0.013063 27O 3s 0.007502 0.027985 0.039875 -0.015272 0.059038 -0.098357 27O 4s -0.113702 0.211395 -0.308499 -0.009803 -0.161884 0.299310 27O 5s 0.184752 -0.697681 -0.545048 0.239584 -0.956073 0.306819 27O 1pz -0.003429 -0.003411 -0.027854 0.019074 0.008630 -0.034382 27O 1px 0.005882 -0.031704 -0.005982 0.034806 -0.000417 0.006389 27O 1py -0.033824 -0.016856 -0.012486 0.002076 -0.005455 0.008871 27O 2pz 0.014462 0.016426 -0.007940 -0.007932 0.014995 -0.010361 27O 2px -0.010466 -0.065782 0.243639 0.085271 0.217999 -0.197209 27O 2py -0.016990 0.014616 -0.053648 -0.021435 -0.088451 0.058373 27O 3pz 0.046177 0.049699 -0.045311 -0.303365 -0.150774 0.053573 27O 3px 0.158489 0.637060 0.219326 -0.839534 0.452303 -0.391292 27O 3py -0.019342 -0.333253 0.145074 0.539533 -0.138429 0.395538 27O 1dz2 -0.000843 0.000421 0.000049 0.001530 -0.001043 -0.001386 27O 1dxz 0.000926 0.001622 -0.000087 -0.003878 0.000150 0.000700 27O 1dyz 0.000005 -0.001573 0.000273 0.000977 0.000354 -0.001035 27O 1dx2y2 0.000151 -0.000469 0.002346 0.000065 0.000379 -0.000270 27O 1dxy -0.001196 -0.002329 -0.000082 0.004208 -0.002836 -0.000624 27O 2dz2 0.029628 0.086452 0.081016 -0.080720 0.009193 0.041408 27O 2dxz -0.023947 0.026703 -0.027644 -0.038193 0.095288 -0.021482 27O 2dyz -0.061840 0.026512 -0.027877 0.055772 -0.059770 0.010861 27O 2dx2y2 0.063076 -0.009368 -0.009503 -0.028865 -0.072157 0.111475 27O 2dxy 0.048535 -0.073602 0.004277 0.031378 0.048120 -0.091305 27O 1f0 -0.000329 0.001620 0.000877 -0.001286 0.004281 -0.001833 27O 1f+1 0.000549 -0.002797 -0.006428 0.000957 -0.003046 0.005407 27O 1f-1 -0.000197 0.000679 0.001943 -0.000126 -0.000756 -0.001277 27O 1f+2 0.001926 0.000946 0.000976 -0.000862 -0.004872 0.000342 27O 1f-2 0.000202 0.000970 0.000277 -0.001594 0.000406 -0.000874 27O 1f+3 0.000718 -0.002688 -0.005024 0.002162 -0.006483 0.008643 27O 1f-3 -0.000082 0.000562 0.002116 0.000929 0.007328 -0.006411 28O 1s 0.001712 0.001090 0.000014 -0.000373 -0.001884 -0.002764 28O 2s 0.003830 0.004074 0.002194 -0.000053 -0.005742 -0.011220 28O 3s 0.000774 -0.042882 -0.061844 -0.017100 0.035187 0.114027 28O 4s -0.086175 0.071305 0.287757 0.065221 -0.047873 -0.436033 28O 5s 0.374610 1.026524 0.937077 0.243165 -0.459652 0.115387 28O 1pz -0.005409 -0.003622 -0.008040 0.001395 -0.003495 0.032779 28O 1px -0.009990 -0.017052 -0.012964 -0.009373 -0.005756 0.033271 28O 1py 0.031421 0.012692 0.008878 -0.021320 0.013722 0.011795 28O 2pz -0.001997 -0.094822 -0.207513 0.001615 0.068037 0.151055 28O 2px -0.007075 0.081180 0.204758 -0.003475 -0.073973 -0.123411 28O 2py 0.014611 -0.025654 -0.045959 -0.036716 0.027772 0.026764 28O 3pz -0.017737 -0.570097 -0.160062 -0.603767 0.278852 0.463519 28O 3px 0.069422 0.565286 0.377328 0.278439 -0.190919 -0.299895 28O 3py -0.193277 -0.172540 0.009038 0.036907 0.002328 0.281321 28O 1dz2 -0.000637 -0.003577 -0.001527 -0.002740 -0.001022 0.000263 28O 1dxz -0.000719 0.001968 0.001874 0.002674 -0.001625 -0.000391 28O 1dyz 0.001139 -0.002902 -0.000181 -0.002914 0.001839 -0.001547 28O 1dx2y2 -0.000265 0.000529 -0.000714 0.001033 -0.000520 -0.000027 28O 1dxy -0.000199 0.000830 0.000604 0.002186 -0.001815 0.000305 28O 2dz2 -0.008836 0.087760 0.073375 0.081701 0.059262 -0.039069 28O 2dxz 0.045330 -0.033629 -0.012258 -0.029098 0.150646 0.079539 28O 2dyz 0.012085 -0.043703 -0.048597 -0.073632 0.040347 -0.015276 28O 2dx2y2 0.077526 0.109707 0.137245 0.013612 0.062659 0.024958 28O 2dxy 0.005993 -0.062356 -0.026418 0.029619 -0.107996 0.113571 28O 1f0 -0.000821 0.003196 0.003359 0.004145 -0.004708 -0.001614 28O 1f+1 0.000680 0.004478 0.006250 -0.001591 0.000231 -0.006837 28O 1f-1 0.000449 0.002707 -0.000572 0.000670 0.001620 -0.000553 28O 1f+2 -0.000437 -0.007160 -0.006607 0.000063 0.003626 0.008605 28O 1f-2 -0.000892 0.000437 0.000390 0.002693 -0.002827 -0.002530 28O 1f+3 -0.000594 -0.003703 -0.004659 -0.000794 0.003087 0.002564 28O 1f-3 -0.000148 0.000107 -0.001085 0.001329 -0.001295 -0.001554 29O 1s 0.002749 0.006644 -0.000823 -0.005022 -0.000725 0.000577 29O 2s 0.006533 0.017220 -0.001604 -0.012129 -0.001921 0.001152 29O 3s -0.001025 -0.037596 -0.009199 0.005186 0.004630 0.005901 29O 4s -0.180526 -0.291952 0.069400 0.311502 0.025116 -0.063396 29O 5s 0.567348 1.253794 -0.031568 -0.904411 -0.095293 0.126102 29O 1pz 0.006819 0.006656 0.000490 -0.007947 0.009481 -0.032336 29O 1px -0.019486 0.007309 -0.000573 0.033661 0.010558 -0.018052 29O 1py -0.029536 0.000999 0.031408 0.034175 0.006935 -0.008249 29O 2pz -0.022322 -0.032866 0.024051 0.024802 -0.116363 0.177472 29O 2px 0.023431 0.068538 0.007330 -0.051151 -0.051490 0.068267 29O 2py -0.004693 -0.031413 -0.011897 0.024458 0.018137 -0.012897 29O 3pz -0.010396 0.048119 0.003472 -0.051788 -0.227102 0.360746 29O 3px -0.142365 -0.343888 0.120123 0.444724 -0.035079 0.076745 29O 3py -0.066211 -0.274493 -0.086361 -0.006853 0.009352 -0.006524 29O 1dz2 -0.000701 -0.000890 0.000737 0.001822 -0.000345 0.001475 29O 1dxz -0.000115 0.001355 0.000532 0.000884 0.001442 -0.003276 29O 1dyz 0.000017 -0.000395 -0.000489 -0.001171 -0.000255 -0.000540 29O 1dx2y2 0.001164 0.000145 -0.001407 -0.002620 0.000226 -0.001379 29O 1dxy 0.000194 0.001814 0.001228 0.001483 0.000537 -0.000206 29O 2dz2 0.056007 0.090478 0.003682 -0.062764 0.080917 -0.066468 29O 2dxz -0.002459 0.075594 0.043228 0.056697 -0.085246 0.013131 29O 2dyz 0.054251 0.015155 -0.055544 -0.058323 0.142537 -0.234546 29O 2dx2y2 0.092914 0.024777 -0.033544 -0.152645 -0.041789 0.026587 29O 2dxy -0.110707 -0.048788 0.033832 0.150953 0.108693 -0.130645 29O 1f0 0.000886 -0.003048 -0.001784 -0.001458 -0.000630 0.001975 29O 1f+1 -0.001047 0.000946 0.001203 0.001452 -0.000671 0.001107 29O 1f-1 -0.001286 -0.003576 0.000037 0.001279 -0.004797 0.008247 29O 1f+2 -0.000208 0.002212 0.000606 0.000647 0.002800 -0.004462 29O 1f-2 0.000821 -0.001353 -0.002872 -0.002022 0.007229 -0.009868 29O 1f+3 0.000152 0.001767 0.001139 0.000107 -0.002763 0.003793 29O 1f-3 -0.000118 0.000577 0.000441 -0.001674 -0.004051 0.004705 30O 1s -0.000980 0.004358 -0.004144 -0.002306 0.000432 0.002114 30O 2s -0.003477 0.010368 -0.011603 -0.004641 -0.000688 0.009016 30O 3s 0.040358 0.005512 0.050698 -0.023533 0.050597 -0.108304 30O 4s -0.119850 -0.288095 0.029202 0.243414 -0.249824 0.446558 30O 5s -1.338923 0.066014 -0.994489 0.487768 -0.733265 0.593236 30O 1pz 0.000158 0.027946 0.007940 -0.035249 -0.010616 0.028835 30O 1px -0.015281 -0.022275 0.015985 0.011712 0.003682 0.000141 30O 1py 0.021884 0.012450 0.008767 0.005830 0.009839 0.034950 30O 2pz 0.132242 0.103620 0.066153 -0.152161 0.111704 -0.160407 30O 2px -0.151041 -0.135654 -0.055150 0.138241 -0.142025 0.221577 30O 2py -0.132828 -0.096488 -0.078817 0.133250 -0.153286 0.204939 30O 3pz 0.188832 -0.302043 0.309072 0.300155 0.233081 -0.334469 30O 3px -0.318636 0.062263 -0.293853 0.253746 -0.334183 0.217321 30O 3py -0.240068 0.218098 -0.391027 -0.191820 -0.132480 0.049290 30O 1dz2 0.001345 0.000731 0.001767 -0.001304 -0.002157 0.001520 30O 1dxz -0.001019 -0.001837 -0.000479 0.001640 -0.000849 0.001518 30O 1dyz -0.002727 0.000368 -0.002938 0.002213 -0.000547 -0.002333 30O 1dx2y2 -0.001831 0.002230 -0.002440 0.000289 -0.001757 -0.001716 30O 1dxy 0.001445 0.001650 0.000665 -0.001238 0.002169 -0.001836 30O 2dz2 0.049340 -0.105584 -0.054330 -0.052280 -0.064154 -0.001903 30O 2dxz 0.044803 -0.076641 -0.082842 -0.015554 0.106514 -0.137817 30O 2dyz 0.041192 0.062474 0.063154 -0.007679 0.003688 -0.036730 30O 2dx2y2 -0.082156 -0.024713 -0.114452 -0.052453 0.007498 -0.089862 30O 2dxy -0.052259 -0.118115 -0.113342 0.075155 0.010200 0.071956 30O 1f0 -0.003681 -0.002015 -0.002396 0.001755 -0.004160 0.005681 30O 1f+1 -0.001809 -0.001740 -0.002982 0.001086 0.001355 -0.000377 30O 1f-1 -0.000449 -0.000912 -0.000729 0.002910 0.002629 -0.000662 30O 1f+2 0.003392 0.000364 0.003891 -0.001573 0.001041 -0.002606 30O 1f-2 0.005337 0.002470 0.006737 -0.002385 0.007149 -0.009712 30O 1f+3 0.000775 0.001538 0.000421 -0.001024 -0.002403 0.004730 30O 1f-3 0.004195 0.001750 0.004534 -0.001681 0.004458 -0.006505 31O 1s -0.000726 -0.004250 0.004167 -0.002114 -0.000492 0.002059 31O 2s -0.002513 -0.010057 0.011679 -0.004230 0.000579 0.008954 31O 3s 0.031400 -0.006675 -0.050816 -0.022082 -0.051512 -0.110114 31O 4s -0.088822 0.286933 -0.029442 0.225110 0.256608 0.457722 31O 5s -1.269997 -0.057576 0.958933 0.475962 0.767404 0.612840 31O 1pz 0.002102 0.028858 0.007918 0.035691 -0.009241 -0.028585 31O 1px 0.016511 -0.021832 0.016963 -0.010581 0.003413 0.000295 31O 1py -0.022692 0.012657 0.008035 -0.005886 0.009273 -0.034746 31O 2pz -0.116206 0.104779 0.063234 0.147363 0.118544 0.164127 31O 2px 0.130837 -0.135100 -0.051848 -0.130648 -0.147184 -0.226853 31O 2py 0.114362 -0.096483 -0.076011 -0.125791 -0.158615 -0.208424 31O 3pz -0.205194 -0.305935 0.309779 -0.305498 0.224958 0.340135 31O 3px 0.313900 0.060888 -0.282458 -0.247006 -0.350073 -0.230789 31O 3py 0.268802 0.213019 -0.388162 0.189380 -0.128928 -0.056357 31O 1dz2 0.001302 -0.000806 -0.001745 -0.001442 0.002047 0.001535 31O 1dxz -0.000891 0.001813 0.000446 0.001582 0.000924 0.001526 31O 1dyz -0.002764 -0.000294 0.002850 0.002243 0.000741 -0.002295 31O 1dx2y2 -0.001785 -0.002165 0.002372 0.000279 0.001838 -0.001708 31O 1dxy 0.001330 -0.001587 -0.000581 -0.001081 -0.002223 -0.001836 31O 2dz2 0.049709 0.102472 0.055694 -0.059326 0.059896 -0.001469 31O 2dxz 0.046336 0.078420 0.083629 -0.010189 -0.109496 -0.140595 31O 2dyz 0.031143 -0.062065 -0.062617 -0.006581 -0.002549 -0.036393 31O 2dx2y2 -0.073683 0.025132 0.111354 -0.050969 -0.010510 -0.090793 31O 2dxy -0.052142 0.119049 0.112766 0.074094 -0.007321 0.074575 31O 1f0 0.003242 -0.001998 -0.002354 -0.001551 -0.004249 -0.005799 31O 1f+1 0.001722 -0.001806 -0.002987 -0.001156 0.001310 0.000395 31O 1f-1 0.000381 -0.000979 -0.000683 -0.003090 0.002503 0.000654 31O 1f+2 -0.003322 0.000392 0.003805 0.001622 0.001170 0.002676 31O 1f-2 -0.004607 0.002527 0.006718 0.002172 0.007238 0.009913 31O 1f+3 -0.000898 0.001552 0.000326 0.001136 -0.002315 -0.004777 31O 1f-3 -0.003782 0.001791 0.004475 0.001525 0.004542 0.006645 32O 1s 0.002014 -0.006592 0.001088 -0.004777 0.000416 0.000681 32O 2s 0.004646 -0.017079 0.002261 -0.011450 0.001222 0.001407 32O 3s 0.002661 0.037211 0.008545 0.002708 -0.005543 0.005760 32O 4s -0.147118 0.290227 -0.083747 0.305472 -0.000335 -0.071565 32O 5s 0.433247 -1.246868 0.074969 -0.863594 0.033148 0.157084 32O 1pz -0.008908 0.006726 -0.000375 0.008073 0.009780 0.031665 32O 1px 0.019373 0.006732 0.000142 -0.033350 0.008964 0.018088 32O 1py 0.028481 0.001012 0.033090 -0.033867 0.005070 0.009103 32O 2pz 0.021948 -0.030624 0.025797 -0.019572 -0.117183 -0.174606 32O 2px -0.015092 0.068895 0.005022 0.049430 -0.047989 -0.067681 32O 2py 0.001857 -0.031774 -0.010298 -0.022300 0.015290 0.008235 32O 3pz 0.029824 0.056149 0.000351 0.060166 -0.224198 -0.361354 32O 3px 0.107622 -0.339262 0.139032 -0.431246 -0.060541 -0.071149 32O 3py 0.039902 -0.273051 -0.083478 0.013135 -0.001928 0.009034 32O 1dz2 -0.000785 0.000853 -0.000774 0.001797 0.000419 0.001420 32O 1dxz 0.000089 -0.001299 -0.000572 0.000941 -0.001440 -0.003298 32O 1dyz 0.000112 0.000405 0.000465 -0.001129 0.000201 -0.000555 32O 1dx2y2 0.001239 -0.000138 0.001473 -0.002541 -0.000379 -0.001439 32O 1dxy 0.000079 -0.001824 -0.001269 0.001495 -0.000538 -0.000296 32O 2dz2 0.044724 -0.089536 -0.003253 -0.052934 -0.077393 -0.052234 32O 2dxz -0.004925 -0.075304 -0.044353 0.055135 0.091908 0.018587 32O 2dyz 0.061790 -0.017576 0.058765 -0.055165 -0.146829 -0.232947 32O 2dx2y2 0.090735 -0.025150 0.039424 -0.153014 0.035330 0.033681 32O 2dxy -0.099993 0.048518 -0.040680 0.146977 -0.097318 -0.130814 32O 1f0 -0.001156 -0.002802 -0.001817 0.001730 -0.000153 -0.001524 32O 1f+1 0.001251 0.001074 0.001350 -0.001568 -0.001027 -0.001319 32O 1f-1 0.001115 -0.003619 0.000016 -0.000835 -0.004580 -0.007970 32O 1f+2 0.000242 0.002325 0.000658 -0.000802 0.002636 0.004411 32O 1f-2 -0.001160 -0.001366 -0.002901 0.001865 0.007494 0.009867 32O 1f+3 0.000116 0.001737 0.001022 -0.000161 -0.002522 -0.003430 32O 1f-3 0.000300 0.000580 0.000380 0.001740 -0.004057 -0.004816 33O 1s 0.001101 -0.001021 -0.000039 -0.000573 0.001692 -0.002803 33O 2s 0.002315 -0.003848 -0.002289 -0.000663 0.005328 -0.011295 33O 3s 0.001787 0.041574 0.062574 -0.013433 -0.036152 0.113771 33O 4s -0.052655 -0.068743 -0.288464 0.058359 0.062439 -0.432490 33O 5s 0.336466 -1.031737 -0.942256 0.204619 0.470964 0.105178 33O 1pz 0.004263 -0.002644 -0.007188 -0.002204 -0.003859 -0.032990 33O 1px 0.005306 -0.016359 -0.012925 0.008657 -0.006506 -0.033060 33O 1py -0.028436 0.012992 0.007782 0.020315 0.014244 -0.012177 33O 2pz 0.013416 -0.094551 -0.205902 -0.009043 0.072204 -0.151388 33O 2px -0.009674 0.081586 0.203759 0.010395 -0.078665 0.122701 33O 2py -0.011695 -0.024818 -0.046831 0.033914 0.030648 -0.027198 33O 3pz -0.026662 -0.565291 -0.185932 0.589045 0.295972 -0.468905 33O 3px -0.033863 0.565037 0.387785 -0.266442 -0.207303 0.299442 33O 3py 0.154687 -0.171473 0.006211 -0.038637 -0.005952 -0.285004 33O 1dz2 -0.000337 0.003542 0.001580 -0.002741 0.000969 0.000331 33O 1dxz -0.000651 -0.002016 -0.001989 0.002612 0.001850 -0.000440 33O 1dyz 0.001294 0.002862 0.000276 -0.002823 -0.001955 -0.001534 33O 1dx2y2 -0.000435 -0.000496 0.000667 0.000996 0.000485 -0.000054 33O 1dxy -0.000183 -0.000809 -0.000691 0.002048 0.001955 0.000290 33O 2dz2 -0.007089 -0.082925 -0.071774 0.081090 -0.053440 -0.036369 33O 2dxz 0.035335 0.036449 0.015200 -0.022160 -0.152942 0.081611 33O 2dyz 0.010099 0.041109 0.048177 -0.069414 -0.044176 -0.015946 33O 2dx2y2 0.064768 -0.106861 -0.135097 0.014535 -0.061612 0.027692 33O 2dxy 0.001416 0.061860 0.025193 0.025296 0.107423 0.116995 33O 1f0 0.000591 0.003180 0.003473 -0.003804 -0.004876 0.001647 33O 1f+1 -0.000759 0.004389 0.006112 0.001749 0.000400 0.006851 33O 1f-1 -0.000218 0.002663 -0.000561 -0.000773 0.001632 0.000553 33O 1f+2 0.000519 -0.007150 -0.006653 -0.000369 0.003603 -0.008660 33O 1f-2 0.000844 0.000421 0.000527 -0.002535 -0.003025 0.002471 33O 1f+3 0.000639 -0.003704 -0.004693 0.000574 0.003137 -0.002584 33O 1f-3 0.000108 0.000098 -0.000994 -0.001212 -0.001400 0.001623 34O 1s 0.001394 0.004987 -0.002049 0.000487 0.001996 0.004104 34O 2s 0.002787 0.012947 -0.003563 0.001710 0.006660 0.013381 34O 3s 0.007255 -0.027851 -0.040628 -0.012780 -0.059146 -0.099711 34O 4s -0.115419 -0.204043 0.310966 -0.009493 0.162156 0.299501 34O 5s 0.222050 0.704374 0.562585 0.207759 0.968236 0.329055 34O 1pz 0.002091 -0.004202 -0.027985 -0.019670 0.007232 0.034808 34O 1px -0.006267 -0.031720 -0.005523 -0.034208 -0.001799 -0.007206 34O 1py 0.031947 -0.016796 -0.011449 -0.001205 -0.005603 -0.008972 34O 2pz -0.013908 0.016913 -0.008347 0.007489 0.015499 0.010433 34O 2px 0.008429 -0.060467 0.251028 -0.087493 0.213746 0.199099 34O 2py 0.016003 0.013312 -0.055209 0.023995 -0.087267 -0.059133 34O 3pz -0.039434 0.049511 -0.051903 0.306531 -0.141507 -0.051430 34O 3px -0.110687 0.637801 0.201981 0.813388 0.492336 0.406664 34O 3py 0.003228 -0.326897 0.156234 -0.528208 -0.162192 -0.406796 34O 1dz2 -0.000748 -0.000370 -0.000101 0.001518 0.001145 -0.001379 34O 1dxz 0.000779 -0.001654 0.000183 -0.003886 -0.000323 0.000699 34O 1dyz 0.000191 0.001569 -0.000303 0.000952 -0.000325 -0.001076 34O 1dx2y2 0.000234 0.000419 -0.002328 -0.000008 -0.000436 -0.000272 34O 1dxy -0.000886 0.002296 -0.000062 0.004058 0.003056 -0.000583 34O 2dz2 0.022452 -0.092996 -0.082394 -0.082913 -0.010980 0.043302 34O 2dxz -0.020837 -0.027592 0.025706 -0.033987 -0.097808 -0.020229 34O 2dyz -0.054676 -0.022583 0.026669 0.055832 0.062820 0.012280 34O 2dx2y2 0.062656 0.006344 0.011263 -0.033165 0.070165 0.112210 34O 2dxy 0.043579 0.073110 -0.003566 0.032186 -0.048830 -0.093094 34O 1f0 0.000636 0.001615 0.000872 0.001067 0.004340 0.001838 34O 1f+1 -0.000630 -0.002870 -0.006541 -0.000957 -0.002989 -0.005501 34O 1f-1 0.000182 0.000661 0.001947 0.000161 -0.000784 0.001306 34O 1f+2 -0.001848 0.000944 0.000915 0.001064 -0.004800 -0.000350 34O 1f-2 0.000103 0.000967 0.000266 0.001572 0.000454 0.000969 34O 1f+3 -0.000981 -0.002726 -0.005152 -0.002036 -0.006550 -0.008801 34O 1f-3 0.000277 0.000590 0.002210 -0.001217 0.007248 0.006575 35O 1s -0.000221 -0.001537 -0.000424 -0.000950 -0.000967 -0.002406 35O 2s -0.000712 -0.006404 -0.001531 -0.001687 -0.002196 -0.009214 35O 3s 0.009448 0.075558 0.024349 -0.020241 -0.006013 0.109391 35O 4s -0.010055 -0.293625 -0.074506 0.145012 0.084072 -0.424933 35O 5s -0.331756 -0.807271 -0.778031 0.719078 -0.089835 -1.401903 35O 1pz 0.010625 0.006733 0.018595 -0.006603 0.000754 0.003299 35O 1px 0.004028 0.005153 0.010899 0.011075 0.001935 -0.001411 35O 1py 0.029200 -0.022115 -0.008309 -0.013351 -0.018360 -0.000819 35O 2pz 0.008065 -0.056646 -0.043371 0.025769 0.005789 -0.068911 35O 2px -0.046231 -0.276383 -0.108307 0.139649 0.032360 -0.389183 35O 2py -0.011848 -0.131990 -0.050764 0.077990 0.023978 -0.191837 35O 3pz -0.068055 0.183011 -0.088672 -0.108863 -0.052658 -0.079174 35O 3px -0.161490 -0.046793 -0.406133 0.265710 0.074901 -0.583805 35O 3py -0.211300 0.098779 -0.258179 0.231141 0.151686 -0.154023 35O 1dz2 0.000840 -0.000864 0.000640 0.001301 0.001469 -0.001855 35O 1dxz 0.001180 0.001178 0.002563 -0.001083 0.001035 0.000711 35O 1dyz 0.000745 -0.001480 0.000347 -0.000461 0.000257 -0.001241 35O 1dx2y2 -0.000496 0.001158 0.000762 0.001414 0.000438 0.001756 35O 1dxy 0.001254 0.001145 0.001730 -0.003741 -0.000780 0.000619 35O 2dz2 -0.063674 0.065171 0.072641 0.045831 0.035717 0.129442 35O 2dxz 0.014814 0.022330 -0.006455 0.009939 -0.014777 -0.046726 35O 2dyz 0.054522 -0.061877 0.015980 -0.031620 -0.062059 -0.014349 35O 2dx2y2 -0.068046 -0.017190 0.020456 0.050167 -0.046177 -0.109344 35O 2dxy -0.048071 0.000068 -0.009381 0.049364 0.078861 -0.089925 35O 1f0 0.000513 0.001064 0.000460 0.001744 0.003176 0.003012 35O 1f+1 0.002212 0.005581 0.004122 -0.001014 0.001111 0.010436 35O 1f-1 0.001053 0.002804 0.002525 -0.001370 -0.001375 0.005441 35O 1f+2 -0.000131 -0.001255 -0.002106 0.000875 0.000469 -0.001786 35O 1f-2 0.000954 -0.002174 -0.000205 -0.000744 -0.001151 -0.001139 35O 1f+3 0.002450 0.002284 0.002301 -0.001087 0.002291 0.005907 35O 1f-3 0.002351 0.007192 0.003995 -0.004095 -0.005290 0.011418 330 331 332 333 334 335 1.56242 1.56987 1.57269 1.57982 1.58511 1.59796 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s 0.001414 0.000647 0.000177 -0.000381 -0.000181 0.000964 0Rh 2s -0.005765 -0.002062 -0.000795 0.001243 0.001422 -0.003936 0Rh 3s 0.004754 0.002528 0.000552 -0.001472 -0.000186 0.003240 0Rh 4s 0.027459 0.009697 0.003813 -0.005915 -0.006896 0.018763 0Rh 5s -0.025631 -0.004980 -0.004232 0.003998 0.011272 -0.017445 0Rh 6s -0.072109 -0.038498 -0.006509 0.019666 -0.003941 -0.046635 0Rh 7s 0.825193 -0.059082 0.111934 -0.232210 0.372302 -0.139516 0Rh 8s -0.249448 -0.284170 -0.079100 0.071616 0.643622 -0.417525 0Rh 1pz 0.000964 -0.001731 -0.003236 -0.004280 0.006973 0.001330 0Rh 1px -0.001474 0.005703 -0.000066 -0.001122 -0.009721 0.011422 0Rh 1py -0.006250 0.003466 -0.003146 0.003797 -0.001337 0.001770 0Rh 2pz -0.003601 0.005759 0.011717 0.014521 -0.023833 -0.005067 0Rh 2px 0.005722 -0.018902 0.000496 0.003451 0.032454 -0.038337 0Rh 2py 0.021863 -0.011885 0.010819 -0.013362 0.004482 -0.006109 0Rh 3pz 0.007567 0.001286 -0.016201 -0.002493 0.007621 0.012553 0Rh 3px -0.016530 -0.005955 -0.005466 0.007000 0.005564 -0.002409 0Rh 3py -0.016683 0.004972 -0.004599 0.011420 0.000657 0.002753 0Rh 4pz -0.009718 -0.037979 -0.009832 -0.073912 0.107800 -0.022706 0Rh 4px 0.035846 0.133295 0.017150 -0.048566 -0.212294 0.233191 0Rh 4py -0.063958 0.046749 -0.045607 0.036588 -0.030848 0.027310 0Rh 5pz 0.034489 0.057026 -0.000797 0.102396 -0.150486 0.070223 0Rh 5px -0.100033 -0.211877 -0.031264 0.083347 0.347154 -0.364656 0Rh 5py 0.060259 -0.053563 0.060678 -0.044573 0.059845 -0.050331 0Rh 6pz -0.350685 -0.117805 1.152321 0.225093 -0.233746 -1.194471 0Rh 6px 0.368458 0.662349 0.311405 0.128062 -1.474450 0.908231 0Rh 6py 1.563551 -0.245918 0.371628 -0.821879 -0.475526 0.378277 0Rh 1dz2 -0.005671 -0.006244 0.011436 0.004046 0.003856 -0.003837 0Rh 1dxz -0.003930 -0.005371 -0.002742 0.001209 0.001245 -0.009476 0Rh 1dyz -0.005744 -0.002380 0.009515 0.002760 -0.001490 -0.007937 0Rh 1dx2y2 0.006911 0.009060 0.003442 -0.000517 -0.006544 0.006358 0Rh 1dxy -0.000402 0.010579 0.001106 0.002209 -0.013548 0.013860 0Rh 2dz2 0.000844 0.002272 -0.001782 -0.000028 -0.002057 0.002098 0Rh 2dxz 0.000966 0.002283 0.000354 -0.000893 -0.002645 0.002680 0Rh 2dyz 0.000202 0.000987 -0.000829 -0.000288 -0.000819 0.000548 0Rh 2dx2y2 -0.001608 -0.003421 -0.000386 -0.000281 0.003655 -0.004041 0Rh 2dxy 0.000334 -0.000890 -0.000428 -0.000015 0.001510 -0.002182 0Rh 3dz2 0.009520 0.004542 -0.018938 -0.009313 0.000088 -0.000270 0Rh 3dxz 0.004998 0.002427 0.004773 0.000957 0.008783 0.010318 0Rh 3dyz 0.012475 0.001222 -0.018508 -0.005218 0.007079 0.016167 0Rh 3dx2y2 -0.009078 -0.005930 -0.006406 0.002365 -0.000919 0.003007 0Rh 3dxy -0.000621 -0.020771 -0.000744 -0.005012 0.025023 -0.022901 0Rh 4dz2 0.016541 0.039965 -0.035941 -0.004253 -0.035024 0.035208 0Rh 4dxz 0.015987 0.039627 0.009748 -0.012454 -0.041051 0.050130 0Rh 4dyz 0.007615 0.016141 -0.020731 -0.005899 -0.009916 0.016245 0Rh 4dx2y2 -0.028656 -0.062185 -0.007974 -0.002703 0.063439 -0.067887 0Rh 4dxy 0.007817 -0.021943 -0.006345 -0.003749 0.035304 -0.044348 0Rh 5dz2 -0.054784 -0.171530 0.151744 0.026079 0.136662 -0.151331 0Rh 5dxz -0.044725 -0.166653 -0.075717 0.046071 0.159014 -0.210642 0Rh 5dyz -0.016390 -0.054078 0.084688 0.018937 0.004840 -0.095632 0Rh 5dx2y2 0.105049 0.287487 0.024999 -0.011092 -0.276877 0.276759 0Rh 5dxy -0.077809 0.079671 0.016328 0.036695 -0.157230 0.173842 0Rh 1f0 0.004088 0.005053 -0.022303 -0.016325 0.017060 0.019500 0Rh 1f+1 0.012277 -0.029356 -0.021962 -0.024300 0.067466 0.023876 0Rh 1f-1 0.006857 0.005176 0.046327 -0.027277 -0.008430 -0.031510 0Rh 1f+2 0.026347 -0.011569 -0.023307 -0.008184 -0.001975 -0.042421 0Rh 1f-2 0.014350 -0.005093 -0.000888 -0.012671 0.024736 -0.033518 0Rh 1f+3 0.020279 -0.025002 0.017048 -0.022271 0.013010 -0.005603 0Rh 1f-3 -0.018260 -0.000862 -0.017221 0.012754 0.025037 -0.024244 1Rh 1s 0.001413 -0.000635 0.000150 -0.000391 0.000151 -0.001121 1Rh 2s -0.005759 0.002017 -0.000740 0.001312 -0.001321 0.004467 1Rh 3s 0.004753 -0.002489 0.000426 -0.001488 0.000075 -0.003834 1Rh 4s 0.027431 -0.009482 0.003562 -0.006247 0.006417 -0.021299 1Rh 5s -0.025582 0.004750 -0.004383 0.004513 -0.010937 0.019364 1Rh 6s -0.072201 0.038149 -0.004457 0.019520 0.005581 0.054317 1Rh 7s 0.833319 0.063252 0.105048 -0.210622 -0.392619 0.065257 1Rh 8s -0.238459 0.284078 -0.077963 0.114433 -0.634601 0.444817 1Rh 1pz -0.001011 -0.001953 0.003248 0.003881 0.006640 0.002478 1Rh 1px 0.001688 0.005777 -0.000009 0.001719 -0.009873 0.011208 1Rh 1py 0.006348 0.003214 0.003337 -0.003573 -0.001324 0.001928 1Rh 2pz 0.003757 0.006573 -0.011755 -0.013157 -0.022704 -0.008931 1Rh 2px -0.006441 -0.019142 -0.000226 -0.005447 0.033003 -0.037434 1Rh 2py -0.022196 -0.011053 -0.011478 0.012594 0.004473 -0.006615 1Rh 3pz -0.007503 -0.000074 0.016125 0.001976 0.007517 0.012503 1Rh 3px 0.016499 -0.006063 0.005095 -0.007339 0.004789 -0.006205 1Rh 3py 0.016771 0.005299 0.004988 -0.011093 -0.000085 0.002217 1Rh 4pz 0.008674 -0.037800 0.010529 0.068150 0.101493 -0.000065 1Rh 4px -0.031524 0.134912 -0.017276 0.061681 -0.212386 0.242969 1Rh 4py 0.065521 0.040805 0.047552 -0.033670 -0.027993 0.032496 1Rh 5pz -0.033445 0.056388 -0.001393 -0.094885 -0.141774 0.036475 1Rh 5px 0.093229 -0.213545 0.031441 -0.105079 0.345542 -0.384481 1Rh 5py -0.062611 -0.045012 -0.061502 0.041789 0.054928 -0.059983 1Rh 6pz 0.354164 -0.079273 -1.129131 -0.206684 -0.159073 -1.211528 1Rh 6px -0.347283 0.666404 -0.315810 -0.033441 -1.437443 0.947167 1Rh 6py -1.558453 -0.242702 -0.416462 0.797379 -0.456417 0.411150 1Rh 1dz2 -0.005389 0.004816 0.011922 0.004404 -0.003662 0.003813 1Rh 1dxz -0.004000 0.005551 -0.002498 0.001433 -0.001155 0.010894 1Rh 1dyz -0.005574 0.001568 0.009743 0.002638 0.001077 0.009308 1Rh 1dx2y2 0.006742 -0.009194 0.003030 -0.000972 0.006234 -0.007506 1Rh 1dxy -0.000623 -0.010756 0.000935 0.001719 0.013664 -0.013925 1Rh 2dz2 0.000795 -0.002078 -0.001915 -0.000191 0.002031 -0.001868 1Rh 2dxz 0.000919 -0.002246 0.000284 -0.001053 0.002605 -0.002974 1Rh 2dyz 0.000198 -0.000942 -0.000912 -0.000365 0.000855 -0.000339 1Rh 2dx2y2 -0.001529 0.003433 -0.000262 -0.000065 -0.003614 0.004300 1Rh 2dxy 0.000368 0.000961 -0.000449 0.000010 -0.001528 0.002302 1Rh 3dz2 0.009079 -0.002052 -0.019488 -0.009427 -0.000435 -0.000665 1Rh 3dxz 0.005370 -0.002997 0.004512 0.001141 -0.008820 -0.012389 1Rh 3dyz 0.012100 0.000465 -0.018678 -0.004597 -0.006271 -0.020295 1Rh 3dx2y2 -0.009037 0.006196 -0.005998 0.002470 0.001466 -0.001425 1Rh 3dxy -0.000254 0.020876 -0.000254 -0.003977 -0.025217 0.022534 1Rh 4dz2 0.015550 -0.035973 -0.038387 -0.007049 0.034595 -0.031939 1Rh 4dxz 0.015279 -0.039435 0.008468 -0.015039 0.040329 -0.055136 1Rh 4dyz 0.007374 -0.014712 -0.022098 -0.006830 0.010803 -0.014372 1Rh 4dx2y2 -0.027247 0.062425 -0.005566 0.001146 -0.062644 0.072211 1Rh 4dxy 0.008485 0.023093 -0.006546 -0.002946 -0.035673 0.045981 1Rh 5dz2 -0.050556 0.155736 0.163016 0.037104 -0.136488 0.141226 1Rh 5dxz -0.041060 0.167691 -0.069791 0.055688 -0.154070 0.228248 1Rh 5dyz -0.014652 0.047175 0.089632 0.019939 -0.008196 0.090768 1Rh 5dx2y2 0.098859 -0.287765 0.012005 -0.028570 0.274237 -0.292601 1Rh 5dxy -0.079951 -0.084503 0.017676 0.033574 0.158871 -0.177988 1Rh 1f0 -0.003408 0.001635 0.022496 0.015972 0.017622 0.013820 1Rh 1f+1 -0.012421 -0.031465 0.020575 0.020025 0.066518 0.032411 1Rh 1f-1 -0.007596 0.007850 -0.045897 0.028591 -0.006817 -0.029111 1Rh 1f+2 -0.026167 -0.015515 0.023201 0.008355 0.000764 -0.047150 1Rh 1f-2 -0.014289 -0.006546 0.002573 0.013037 0.026013 -0.027334 1Rh 1f+3 -0.020846 -0.023474 -0.018866 0.020037 0.013098 0.001203 1Rh 1f-3 0.017444 -0.002271 0.017643 -0.012685 0.025459 -0.023653 2C 1s 0.010366 0.007625 0.007585 -0.003262 0.012136 0.006759 2C 2s 0.031384 0.022753 0.022236 -0.009219 0.035895 0.018505 2C 3s -0.311268 -0.253308 -0.274098 0.085319 -0.423916 -0.239114 2C 4s 0.675332 0.643478 0.738503 -0.142264 1.053505 0.618905 2C 5s -1.025763 -1.598844 -1.743164 0.865500 -2.750400 -2.673054 2C 1pz 0.129341 0.236930 -0.051510 -0.229551 0.233002 0.077803 2C 1px 0.083666 -0.017293 0.126928 0.255695 -0.237118 -0.114018 2C 1py -0.141734 -0.240410 0.254315 0.235133 -0.018038 0.229955 2C 2pz -0.519290 -0.800807 0.144109 0.848890 -0.860697 -0.333353 2C 2px -0.336004 0.050542 -0.528334 -0.819996 0.772612 0.357279 2C 2py 0.350665 0.728738 -0.877104 -0.705510 -0.011077 -0.823126 2C 3pz 0.185476 0.177735 -0.377072 -0.219284 -0.186291 -0.552747 2C 3px 0.173241 -0.022886 0.171948 0.438955 -0.382983 -0.266904 2C 3py -0.351754 -0.649574 0.183019 0.487663 -0.460011 -0.024547 2C 1dz2 0.001775 0.005920 -0.008936 -0.014415 0.006461 -0.009551 2C 1dxz 0.013617 0.008423 0.007210 0.002337 -0.008740 -0.009704 2C 1dyz 0.003075 -0.000701 -0.004202 -0.003060 0.001736 0.002941 2C 1dx2y2 -0.001026 0.012538 -0.010895 -0.022671 0.015139 0.001506 2C 1dxy -0.007162 -0.010660 0.014512 0.014255 -0.006615 0.007675 2C 2dz2 0.071963 0.069308 -0.133916 -0.046218 -0.104258 -0.163170 2C 2dxz 0.110911 0.084250 -0.175885 0.126524 -0.260963 -0.336439 2C 2dyz -0.185358 -0.072115 -0.208128 -0.110603 -0.034389 -0.111616 2C 2dx2y2 0.164458 0.272608 -0.144275 -0.364535 0.305621 0.109729 2C 2dxy -0.261317 -0.331377 0.137585 0.322100 -0.159089 0.061368 2C 1f0 0.012126 0.033920 -0.013336 -0.053122 0.045556 0.009783 2C 1f+1 -0.013012 -0.004616 0.007564 -0.001757 0.011376 0.017040 2C 1f-1 0.006576 0.002897 0.025061 0.008099 0.022116 0.023205 2C 1f+2 -0.021789 -0.018537 -0.024165 0.012350 -0.048597 -0.045968 2C 1f-2 0.020367 0.020872 0.018347 0.002159 0.019524 0.017120 2C 1f+3 0.001732 0.000432 -0.030805 -0.003449 -0.024642 -0.030506 2C 1f-3 -0.010408 -0.006246 -0.004139 -0.009530 0.016552 0.012729 3C 1s 0.015753 -0.009923 -0.001973 -0.003636 0.000550 0.009848 3C 2s 0.047694 -0.029917 -0.005542 -0.009985 0.001492 0.029105 3C 3s -0.527305 0.363722 0.090152 0.116153 -0.037688 -0.326288 3C 4s 1.308656 -1.009393 -0.280582 -0.253526 0.105126 0.795508 3C 5s -1.343042 1.814515 0.741090 1.066848 -0.126877 -2.288491 3C 1pz -0.106856 0.009056 -0.126232 -0.068330 -0.020461 0.106111 3C 1px 0.112331 -0.393742 -0.447307 0.248001 -0.114346 0.059926 3C 1py -0.181740 -0.027273 -0.164226 0.126149 -0.134979 -0.005049 3C 2pz 0.237665 -0.027864 0.405149 0.316102 0.048141 -0.430057 3C 2px -0.295290 1.254015 1.433945 -0.882419 0.438916 -0.194331 3C 2py 0.691722 0.084344 0.513225 -0.538111 0.414499 0.091573 3C 3pz -0.404291 0.217674 -0.082341 0.064357 -0.163251 -0.140323 3C 3px 0.211180 -0.565041 -0.673404 0.447769 -0.220845 -0.051452 3C 3py -0.245640 -0.346604 -0.421109 -0.002482 -0.139159 0.421194 3C 1dz2 0.005296 0.001982 0.004806 0.003124 0.005680 0.004269 3C 1dxz 0.000777 -0.018974 -0.025269 0.021462 -0.009990 0.005626 3C 1dyz 0.004550 -0.006957 -0.004400 0.006134 -0.000595 -0.008819 3C 1dx2y2 -0.010408 -0.002726 -0.011504 0.011735 -0.005169 0.007586 3C 1dxy -0.002496 0.000002 -0.001629 -0.010040 0.005260 0.000341 3C 2dz2 0.014350 0.051406 0.109797 -0.060640 0.024968 -0.022013 3C 2dxz -0.052359 -0.410671 -0.534962 0.306475 -0.164750 -0.015633 3C 2dyz 0.427698 -0.272830 -0.112246 0.036427 0.093620 0.028538 3C 2dx2y2 0.017606 -0.162471 -0.295789 -0.109928 -0.017948 0.147451 3C 2dxy -0.016452 -0.020638 -0.080936 -0.027547 -0.033372 0.108693 3C 1f0 -0.011447 -0.002041 -0.016602 -0.001108 -0.010315 0.007991 3C 1f+1 0.002244 0.010605 0.011785 -0.016708 0.011165 0.012088 3C 1f-1 0.018429 -0.007793 0.011739 -0.019842 0.004456 -0.006573 3C 1f+2 -0.043648 0.037838 0.018236 0.013590 -0.011405 -0.031269 3C 1f-2 -0.036923 0.019909 0.007919 0.013963 -0.012372 -0.033848 3C 1f+3 0.006409 -0.030852 -0.038450 0.002520 -0.004833 0.016158 3C 1f-3 0.020092 -0.031534 -0.033325 0.027323 -0.005797 0.004008 4C 1s -0.002737 -0.006141 -0.010225 -0.001690 -0.012845 -0.015304 4C 2s -0.009694 -0.020130 -0.032893 -0.004348 -0.041989 -0.049598 4C 3s 0.153927 0.242080 0.445140 0.007411 0.648206 0.558463 4C 4s -0.598732 -0.600612 -1.222882 0.073111 -2.088834 -1.290536 4C 5s -0.025829 0.511345 0.464681 -0.551881 1.040958 1.162236 4C 1pz -0.114784 -0.077387 0.055141 0.059752 -0.063753 0.068482 4C 1px -0.057608 -0.050657 0.012211 0.002649 -0.036838 0.029110 4C 1py 0.133769 0.158720 -0.047309 -0.028488 -0.004478 -0.169836 4C 2pz -0.022340 -0.055158 -0.292197 -0.086532 -0.334421 -0.451974 4C 2px -0.211668 0.079301 -0.631901 0.135432 -0.134001 -0.242426 4C 2py -0.326023 -0.336465 -0.268184 0.212623 -0.382082 -0.008210 4C 3pz -0.408250 -0.741637 -0.523681 0.374747 -1.064191 -1.268690 4C 3px 0.028279 -0.043141 0.143050 0.078374 -0.510249 -0.107483 4C 3py 0.306838 -0.077646 -0.310714 0.230957 -0.763898 -0.934909 4C 1dz2 0.019160 -0.000969 -0.000104 0.017966 -0.009771 -0.007091 4C 1dxz 0.007961 -0.001566 0.007905 0.007521 0.000084 0.005513 4C 1dyz -0.004441 -0.002400 -0.002203 -0.008475 -0.003001 -0.008286 4C 1dx2y2 -0.000763 -0.012271 0.003302 0.023186 -0.015419 0.001092 4C 1dxy 0.006055 0.007899 -0.009571 -0.014995 0.002108 -0.005029 4C 2dz2 0.292742 0.058804 0.391229 -0.015639 0.172932 0.262944 4C 2dxz -0.133793 0.033834 -0.247076 -0.010632 0.258519 0.124347 4C 2dyz 0.043158 0.038492 0.074026 -0.060576 0.110041 0.110729 4C 2dx2y2 -0.156930 -0.120952 -0.240499 0.161501 -0.395721 -0.301523 4C 2dxy -0.105884 -0.038738 -0.423961 -0.018015 -0.111711 -0.157046 4C 1f0 -0.010108 0.008836 -0.000559 -0.016859 0.020502 0.008096 4C 1f+1 0.005537 0.003981 0.026525 -0.003179 0.034109 0.017402 4C 1f-1 0.006042 0.003393 0.003619 -0.004260 -0.003869 -0.016026 4C 1f+2 -0.002402 -0.011630 -0.001710 -0.004112 -0.016233 -0.006748 4C 1f-2 -0.000297 -0.000865 -0.004898 0.015639 -0.012100 -0.014622 4C 1f+3 -0.004075 -0.006882 0.012868 -0.000421 0.002454 -0.004200 4C 1f-3 0.015472 0.005480 0.031104 0.001834 0.031082 0.017410 5C 1s -0.012041 0.014506 0.006694 0.003757 -0.009012 -0.008375 5C 2s -0.038938 0.046130 0.021053 0.012807 -0.028042 -0.028066 5C 3s 0.519232 -0.548989 -0.275574 -0.206958 0.267072 0.479033 5C 4s -1.547546 1.489091 0.753770 0.648409 -0.497398 -1.754823 5C 5s 0.294868 -0.629309 -0.090885 -0.529374 -0.047714 0.629271 5C 1pz 0.152567 0.025503 0.071231 0.021144 0.143787 0.039540 5C 1px 0.010371 0.007355 0.040672 -0.023764 0.034997 -0.018455 5C 1py 0.099124 0.051618 0.078843 -0.014654 0.100735 0.089298 5C 2pz -0.623004 0.168250 0.092576 0.290562 -0.357989 -0.296171 5C 2px 0.350912 -0.046447 -0.224532 -0.163759 0.224941 0.133371 5C 2py 0.460825 -0.359079 -0.365715 -0.241116 0.020454 0.292767 5C 3pz 0.648003 0.241841 0.245236 0.163092 0.122027 -0.608267 5C 3px -0.206266 0.342465 0.166292 0.475945 -0.255921 -0.229913 5C 3py -0.086294 -0.372404 -0.187687 -0.331595 0.227162 1.143264 5C 1dz2 -0.009657 -0.007246 -0.008959 -0.013317 -0.008558 -0.007853 5C 1dxz 0.000244 0.007442 0.016667 -0.021548 -0.002048 -0.002861 5C 1dyz 0.007160 -0.003761 -0.002990 0.007715 0.009294 0.012892 5C 1dx2y2 -0.017566 0.009797 0.006759 -0.013374 0.000675 -0.020267 5C 1dxy -0.000761 0.000863 0.001104 -0.002501 0.004888 -0.008392 5C 2dz2 -0.103754 -0.038684 -0.069396 0.008053 -0.074676 0.034297 5C 2dxz 0.341991 -0.092912 -0.038600 -0.336774 0.166458 0.197350 5C 2dyz 0.120081 -0.006046 -0.035233 -0.112720 0.109406 0.071242 5C 2dx2y2 -0.055256 0.117366 0.117600 -0.052222 0.035767 -0.273534 5C 2dxy -0.430158 0.101316 0.145774 0.417215 -0.262544 -0.201477 5C 1f0 0.024223 -0.005823 -0.006168 -0.010217 0.016279 0.020991 5C 1f+1 0.013450 -0.012446 -0.006909 0.003712 0.008410 0.018718 5C 1f-1 -0.004610 -0.002212 -0.006276 -0.004836 -0.001896 -0.007280 5C 1f+2 -0.010202 -0.005064 -0.010455 0.003665 -0.002046 -0.007863 5C 1f-2 -0.025625 0.018069 0.020965 0.006272 -0.003906 -0.023585 5C 1f+3 0.012401 -0.021603 -0.010733 0.004579 -0.007588 0.009217 5C 1f-3 -0.013894 0.008784 0.003249 0.029068 -0.002230 -0.019824 6C 1s -0.012269 -0.014974 0.005362 0.002370 0.008695 0.009646 6C 2s -0.039693 -0.047634 0.016759 0.008372 0.027109 0.032192 6C 3s 0.529188 0.571674 -0.218228 -0.151463 -0.259352 -0.525285 6C 4s -1.577740 -1.557177 0.579895 0.488608 0.487145 1.892589 6C 5s 0.312636 0.639956 0.001392 -0.472117 0.030618 -0.668034 6C 1pz -0.152408 0.035773 -0.070719 -0.023817 0.140782 0.045286 6C 1px -0.010109 0.011253 -0.038377 0.023952 0.034470 -0.017677 6C 1py -0.098667 0.060253 -0.075525 0.013800 0.101612 0.088024 6C 2pz 0.625747 0.177233 -0.070158 -0.263251 -0.355870 -0.338218 6C 2px -0.346795 -0.063002 0.224513 0.150995 0.212570 0.129424 6C 2py -0.466112 -0.397778 0.326870 0.208689 0.017996 0.352066 6C 3pz -0.633773 0.279782 -0.207736 -0.129735 0.093403 -0.534305 6C 3px 0.221311 0.356182 -0.139544 -0.435886 -0.250923 -0.213009 6C 3py 0.068737 -0.401020 0.121778 0.263926 0.258163 1.033943 6C 1dz2 -0.009632 0.008520 -0.007984 -0.013267 0.007890 0.008453 6C 1dxz 0.000537 -0.007755 0.016308 -0.021808 0.000700 0.002793 6C 1dyz 0.007182 0.003511 -0.002858 0.008466 -0.008484 -0.013335 6C 1dx2y2 -0.017752 -0.009696 0.005508 -0.014400 -0.001398 0.022351 6C 1dxy -0.000795 -0.000616 0.000909 -0.002534 -0.005189 0.009467 6C 2dz2 -0.102351 0.046346 -0.060442 0.010003 0.069483 -0.028495 6C 2dxz 0.344878 0.106477 -0.030115 -0.320921 -0.171891 -0.203032 6C 2dyz 0.120177 0.008350 -0.038111 -0.107833 -0.102647 -0.065059 6C 2dx2y2 -0.059292 -0.131202 0.097460 -0.065954 -0.027258 0.277281 6C 2dxy -0.431642 -0.116699 0.139512 0.398219 0.255524 0.217377 6C 1f0 -0.024219 -0.006551 0.005746 0.008991 0.016179 0.022626 6C 1f+1 -0.013762 -0.012598 0.005500 -0.005154 0.007722 0.020247 6C 1f-1 0.004686 -0.002952 0.006041 0.004957 -0.001663 -0.007843 6C 1f+2 0.010226 -0.005898 0.010021 -0.003664 -0.001932 -0.007470 6C 1f-2 0.025761 0.019713 -0.018647 -0.004357 -0.003372 -0.024303 6C 1f+3 -0.012939 -0.022390 0.007914 -0.006028 -0.007624 0.010305 6C 1f-3 0.014298 0.009914 -0.001913 -0.027679 -0.002882 -0.020645 7C 1s -0.002316 0.006712 -0.009824 -0.002031 0.013303 0.014325 7C 2s -0.008359 0.021930 -0.031565 -0.005452 0.043485 0.046981 7C 3s 0.138485 -0.266054 0.427173 0.025564 -0.666685 -0.554944 7C 4s -0.562315 0.664217 -1.172427 0.014975 2.140943 1.325804 7C 5s -0.059945 -0.499907 0.439868 -0.522756 -1.077479 -1.390327 7C 1pz 0.114650 -0.068717 -0.066767 -0.066870 -0.065445 0.050450 7C 1px 0.056718 -0.049834 -0.020835 -0.008052 -0.038344 0.034088 7C 1py -0.131154 0.150311 0.067532 0.044854 -0.002176 -0.195838 7C 2pz 0.017087 -0.083628 0.297691 0.110497 -0.338909 -0.440814 7C 2px 0.206266 0.051296 0.639948 -0.113734 -0.159020 -0.269163 7C 2py 0.315828 -0.335948 0.227468 -0.224088 -0.409253 0.022850 7C 3pz 0.399182 -0.758954 0.461514 -0.365021 -1.073009 -1.526797 7C 3px -0.024346 -0.043741 -0.151585 -0.059804 -0.489200 -0.193026 7C 3py -0.307844 -0.101261 0.319213 -0.190226 -0.764457 -1.150547 7C 1dz2 0.019207 0.000052 0.000225 0.017622 0.010743 0.006120 7C 1dxz 0.007922 0.000717 0.008575 0.008002 0.000336 -0.008498 7C 1dyz -0.004372 0.003000 -0.002096 -0.008542 0.002449 0.008563 7C 1dx2y2 -0.000642 0.010673 0.004826 0.023612 0.016748 -0.001506 7C 1dxy 0.006142 -0.006090 -0.010361 -0.015279 -0.002305 0.004131 7C 2dz2 0.288396 -0.085145 0.384384 -0.007054 -0.186466 -0.278843 7C 2dxz -0.130234 -0.018778 -0.244733 0.001690 -0.242657 -0.194978 7C 2dyz 0.041427 -0.038992 0.070655 -0.058497 -0.119271 -0.117180 7C 2dx2y2 -0.153836 0.132060 -0.227886 0.149049 0.406665 0.349782 7C 2dxy -0.100843 0.065383 -0.416085 -0.020413 0.132352 0.145577 7C 1f0 0.010470 0.007401 0.001188 0.016270 0.021335 0.010005 7C 1f+1 -0.005019 0.005792 -0.025831 0.002080 0.035337 0.015856 7C 1f-1 -0.005810 0.003400 -0.003507 0.004755 -0.003916 -0.015154 7C 1f+2 0.001897 -0.011546 0.001056 0.004390 -0.015797 -0.008276 7C 1f-2 0.000327 -0.000111 0.005076 -0.014509 -0.012471 -0.017732 7C 1f+3 0.004342 -0.006084 -0.012780 0.000240 0.003108 -0.005829 7C 1f-3 -0.015035 0.007505 -0.030491 -0.002955 0.031962 0.019597 8C 1s 0.015847 0.010067 -0.000706 -0.002721 -0.000571 -0.010219 8C 2s 0.047945 0.030282 -0.001738 -0.007252 -0.001504 -0.030027 8C 3s -0.530675 -0.369576 0.045525 0.083101 0.036108 0.338715 8C 4s 1.317792 1.024461 -0.159997 -0.164031 -0.094067 -0.836926 8C 5s -1.383600 -1.896714 0.491824 0.871581 0.167032 2.268113 8C 1pz 0.108416 -0.011876 0.133337 0.063923 -0.018733 0.093463 8C 1px -0.110532 -0.417720 0.403554 -0.263601 -0.132104 0.081695 8C 1py 0.184213 -0.041243 0.163228 -0.123227 -0.139609 -0.018112 8C 2pz -0.241116 0.042026 -0.425650 -0.298892 0.039028 -0.393851 8C 2px 0.290177 1.330378 -1.290508 0.931386 0.492403 -0.267433 8C 2py -0.701172 0.121590 -0.514139 0.526836 0.437521 0.140231 8C 3pz 0.409834 0.195745 0.121545 -0.044748 -0.163094 -0.154259 8C 3px -0.207183 -0.599578 0.615914 -0.463503 -0.252142 -0.010593 8C 3py 0.239122 -0.387548 0.381864 -0.027552 -0.138462 0.394914 8C 1dz2 0.005434 -0.002390 0.004152 0.003449 -0.005275 -0.004760 8C 1dxz 0.000539 0.020243 -0.023264 0.022222 0.011145 -0.007240 8C 1dyz 0.004471 0.007039 -0.003634 0.006282 0.000927 0.008250 8C 1dx2y2 -0.010478 0.003311 -0.011123 0.011858 0.005554 -0.006857 8C 1dxy -0.002654 0.000344 -0.001975 -0.009981 -0.005182 0.000424 8C 2dz2 0.016641 -0.052251 0.099748 -0.058338 -0.028387 0.016997 8C 2dxz -0.059499 0.439968 -0.496252 0.319783 0.189211 0.001920 8C 2dyz 0.429353 0.273403 -0.083561 0.054544 -0.082461 -0.073095 8C 2dx2y2 0.016949 0.190430 -0.278670 -0.099126 0.018247 -0.148489 8C 2dxy -0.018638 0.031749 -0.078034 -0.025094 0.029095 -0.111311 8C 1f0 0.011490 -0.003743 0.015975 0.001394 -0.009965 0.006498 8C 1f+1 -0.001904 0.011337 -0.010713 0.016233 0.011848 0.010099 8C 1f-1 -0.018751 -0.007028 -0.012947 0.019194 0.005215 -0.005303 8C 1f+2 0.043862 0.039228 -0.014162 -0.010007 -0.010979 -0.034178 8C 1f-2 0.037981 0.021329 -0.005562 -0.011509 -0.012632 -0.035434 8C 1f+3 -0.005908 -0.032985 0.034794 -0.004136 -0.005796 0.016936 8C 1f-3 -0.019435 -0.032732 0.030305 -0.028841 -0.008233 0.007013 9C 1s 0.009691 -0.007777 0.007086 -0.003197 -0.012419 -0.008954 9C 2s 0.029301 -0.023188 0.020753 -0.009064 -0.036661 -0.025098 9C 3s -0.287903 0.260525 -0.257357 0.082010 0.433138 0.303215 9C 4s 0.614567 -0.666360 0.696167 -0.135032 -1.078590 -0.736964 9C 5s -0.941622 1.660117 -1.638814 0.818552 2.808990 3.163303 9C 1pz -0.127032 0.212919 0.075036 0.233529 0.244559 0.090286 9C 1px -0.083135 0.017233 -0.121464 -0.227875 -0.231905 -0.216415 9C 1py 0.145452 -0.202603 -0.282439 -0.256772 -0.027151 0.252245 9C 2pz 0.512330 -0.722409 -0.221763 -0.858088 -0.901516 -0.414018 9C 2px 0.333113 -0.067707 0.507694 0.729363 0.749455 0.706904 9C 2py -0.362053 0.605703 0.963190 0.777018 0.014652 -0.916422 9C 3pz -0.190417 0.125723 0.406113 0.246416 -0.176629 -0.630472 9C 3px -0.171241 0.035978 -0.161360 -0.393520 -0.376493 -0.446297 9C 3py 0.348496 -0.595251 -0.253352 -0.518977 -0.484686 -0.045193 9C 1dz2 0.001691 -0.004305 -0.009768 -0.014908 -0.007103 0.009313 9C 1dxz 0.013542 -0.009277 0.006025 0.000763 0.007883 0.017234 9C 1dyz 0.003347 0.001171 -0.003938 -0.002656 -0.001399 -0.006734 9C 1dx2y2 -0.000769 -0.010499 -0.012408 -0.022904 -0.015712 -0.004195 9C 1dxy -0.007389 0.008318 0.015185 0.014211 0.006361 -0.007127 9C 2dz2 0.076294 -0.054066 -0.140883 -0.057054 0.103045 0.173848 9C 2dxz 0.116905 -0.083233 -0.187436 0.095901 0.263897 0.443705 9C 2dyz -0.175575 0.091301 -0.204540 -0.104921 0.044803 0.072091 9C 2dx2y2 0.173361 -0.240383 -0.172802 -0.365489 -0.314764 -0.175330 9C 2dxy -0.260184 0.289409 0.163951 0.326454 0.166775 -0.071980 9C 1f0 -0.011961 0.029040 0.016871 0.052920 0.047307 0.014450 9C 1f+1 0.012988 -0.003537 -0.007719 0.001486 0.012368 0.021112 9C 1f-1 -0.005230 0.004666 -0.024605 -0.008420 0.022976 0.022612 9C 1f+2 0.021229 -0.019347 0.023799 -0.010013 -0.049795 -0.057457 9C 1f-2 -0.018745 0.021817 -0.016472 -0.001443 0.019779 0.013188 9C 1f+3 -0.003489 -0.001359 0.030800 0.004832 -0.025272 -0.035099 9C 1f-3 0.010086 -0.007217 0.004475 0.007746 0.014706 0.021191 10H 1s -0.009044 0.027036 -0.005981 -0.059639 0.088698 0.065764 10H 2s -0.084086 -0.419513 0.097980 0.917959 -1.143107 -0.739348 10H 3s 0.114967 0.370890 -0.009677 -0.691106 0.821791 0.518625 10H 1pz -0.098871 -0.118465 -0.028150 0.057752 -0.053161 -0.034571 10H 1px -0.018406 0.039418 -0.047265 -0.163727 0.212404 0.112296 10H 1py 0.101043 0.124597 -0.102594 -0.108277 0.038008 -0.043709 11H 1s 0.044960 0.051533 0.009079 -0.022051 0.020223 -0.007170 11H 2s -0.751241 -0.770138 0.082879 0.267549 -0.154226 0.291004 11H 3s 0.634431 0.720050 0.125932 -0.254532 0.305134 -0.094004 11H 1pz 0.009801 -0.005376 -0.011154 0.022567 -0.064088 -0.034911 11H 1px -0.155663 -0.091228 -0.060205 -0.059336 0.056568 -0.009002 11H 1py 0.029570 0.149267 -0.103241 -0.164235 0.078082 -0.128343 12H 1s -0.019611 -0.032784 0.073034 0.062185 -0.007080 0.056355 12H 2s 0.282624 0.686326 -0.934834 -0.983688 0.222833 -0.500184 12H 3s -0.026326 -0.368800 0.790863 0.650549 -0.076551 0.472730 12H 1pz -0.044050 -0.170587 0.140472 0.246943 -0.135532 0.073612 12H 1px 0.082970 0.048288 -0.070467 -0.045950 0.009843 0.023325 12H 1py -0.028007 0.043112 -0.119285 -0.087982 -0.000398 -0.100441 13H 1s 0.006134 0.024640 0.032096 -0.066563 0.029548 0.027413 13H 2s -0.034511 -0.646528 -0.728611 0.850027 -0.320591 -0.323760 13H 3s 0.075554 0.374197 0.506552 -0.627039 0.159343 0.269858 13H 1pz -0.001007 0.051585 0.064230 0.058111 -0.013380 -0.037080 13H 1px -0.007188 0.190460 0.216744 -0.156665 0.070527 0.032216 13H 1py 0.065620 -0.009146 0.012941 0.005444 -0.000893 0.012576 14H 1s 0.005055 -0.067877 -0.088691 0.027699 -0.024311 0.036459 14H 2s -0.218899 1.118103 1.394944 -0.468106 0.312286 -0.410756 14H 3s 0.288416 -0.909969 -0.993297 0.325121 -0.301811 0.419169 14H 1pz -0.023895 -0.031542 0.001883 -0.010472 0.018049 -0.057146 14H 1px -0.056331 0.211075 0.220487 -0.046681 0.040830 -0.042239 14H 1py 0.019201 0.127835 0.212247 -0.169788 0.085714 -0.085580 15H 1s 0.056044 -0.026475 0.011821 -0.008659 0.020631 -0.002165 15H 2s -0.892404 0.304561 -0.316569 0.040433 -0.289001 0.052211 15H 3s 0.793862 -0.369502 0.133288 -0.130289 0.162618 0.112237 15H 1pz 0.099025 -0.021555 0.092953 -0.032788 0.037321 -0.042733 15H 1px -0.053247 0.064784 0.099208 -0.146045 0.066564 -0.074792 15H 1py 0.088564 -0.047984 0.000407 -0.034169 0.038239 0.021088 16H 1s -0.022630 -0.054185 0.001940 -0.017489 0.181061 0.021129 16H 2s 0.195286 0.574692 -0.100283 0.139655 -1.239976 0.237736 16H 3s -0.031911 -0.070336 0.091371 -0.027910 0.223392 0.053734 16H 1pz 0.019455 0.045817 0.010906 0.016879 -0.142879 -0.023929 16H 1px -0.094369 -0.053861 -0.038473 0.028653 0.102227 -0.030426 16H 1py -0.017666 -0.037451 -0.047763 0.002996 -0.022797 -0.077554 17H 1s -0.009386 -0.021566 -0.016278 0.012318 -0.008512 -0.156946 17H 2s 0.080293 0.396224 0.111718 -0.014258 -0.169713 1.211378 17H 3s 0.023692 -0.002893 -0.061780 0.008895 -0.078296 -0.252384 17H 1pz 0.041308 -0.003111 0.002825 -0.015574 -0.008211 -0.039246 17H 1px -0.093725 -0.039197 0.000713 0.050976 0.028471 -0.155503 17H 1py -0.065649 -0.051767 0.049362 0.014512 0.080183 0.000194 18H 1s -0.006567 0.020502 -0.015763 0.011977 0.006983 0.161313 18H 2s 0.061764 -0.387446 0.097199 -0.030483 0.173740 -1.252909 18H 3s 0.025170 0.004691 -0.063799 0.003555 0.076498 0.267406 18H 1pz -0.042354 -0.001550 -0.000761 0.014616 -0.007656 -0.035428 18H 1px 0.090226 -0.037545 -0.000955 -0.049919 0.029039 -0.164061 18H 1py 0.065992 -0.049915 -0.050840 -0.018300 0.081522 0.000562 19H 1s -0.021865 0.055987 0.001790 -0.008235 -0.180899 -0.044391 19H 2s 0.185864 -0.580475 -0.107234 0.074031 1.241903 -0.107378 19H 3s -0.030150 0.067884 0.090220 -0.018693 -0.224625 -0.086956 19H 1pz -0.018310 0.048192 -0.011019 -0.009468 -0.140349 -0.037553 19H 1px 0.093613 -0.052934 0.036712 -0.033420 0.099595 -0.029234 19H 1py 0.017168 -0.037293 0.043294 -0.003648 -0.028793 -0.094779 20H 1s 0.056654 0.024612 0.015237 -0.006375 -0.020283 -0.003937 20H 2s -0.902058 -0.259623 -0.358000 0.015837 0.282482 0.023576 20H 3s 0.801454 0.347770 0.186243 -0.097110 -0.161424 -0.164057 20H 1pz -0.101220 -0.010964 -0.099405 0.032218 0.039555 -0.035356 20H 1px 0.053923 0.069398 -0.088121 0.148560 0.070476 -0.080609 20H 1py -0.088757 -0.047015 -0.004029 0.030024 0.036997 0.029270 21H 1s 0.004990 0.073922 -0.081131 0.031622 0.026931 -0.040095 21H 2s -0.210404 -1.211251 1.278452 -0.525107 -0.355922 0.451360 21H 3s 0.285361 0.979567 -0.893267 0.375946 0.327743 -0.450682 21H 1pz 0.024564 -0.027352 -0.004992 0.011131 0.016617 -0.056166 21H 1px 0.054991 0.224796 -0.197873 0.055963 0.047442 -0.050458 21H 1py -0.021118 0.141363 -0.199551 0.175318 0.094506 -0.086615 22H 1s 0.006931 -0.024539 0.029197 -0.065808 -0.032501 -0.023869 22H 2s -0.042641 0.663196 -0.657838 0.857492 0.368556 0.273277 22H 3s 0.082488 -0.386840 0.470267 -0.626827 -0.193598 -0.238417 22H 1pz 0.000464 0.060556 -0.063151 -0.052622 -0.012802 -0.036475 22H 1px 0.005313 0.199629 -0.196632 0.161853 0.081323 0.019835 22H 1py -0.066850 -0.006879 -0.018452 -0.006185 0.000965 0.018571 23H 1s -0.020795 0.023420 0.076669 0.064519 0.007262 -0.051934 23H 2s 0.306681 -0.542802 -1.003739 -1.011198 -0.236130 0.458710 23H 3s -0.050170 0.259102 0.837154 0.670026 0.082884 -0.467961 23H 1pz 0.045784 -0.141771 -0.159978 -0.252840 -0.143891 0.071965 23H 1px -0.085704 0.034281 0.070658 0.038903 0.006913 0.046363 23H 1py 0.024074 0.028954 0.125813 0.093344 0.000422 -0.105254 24H 1s 0.044274 -0.050494 0.003777 -0.026159 -0.023462 0.022507 24H 2s -0.742622 0.739989 0.163068 0.336006 0.190885 -0.470041 24H 3s 0.617038 -0.705828 0.053603 -0.304396 -0.337146 0.203082 24H 1pz -0.012431 -0.003422 0.011488 -0.020128 -0.064770 -0.044892 24H 1px 0.153866 -0.099789 0.050489 0.047243 0.051274 0.022682 24H 1py -0.027552 0.129732 0.122361 0.178184 0.087246 -0.155307 25H 1s -0.009483 -0.022216 -0.007489 -0.054746 -0.089058 -0.090307 25H 2s -0.075438 0.335161 0.122101 0.852623 1.152833 1.067073 25H 3s 0.104386 -0.310358 -0.030630 -0.649861 -0.830555 -0.764713 25H 1pz 0.097075 -0.114402 0.016268 -0.062533 -0.060424 -0.028441 25H 1px 0.020755 0.020163 0.047138 0.147527 0.211139 0.177055 25H 1py -0.102147 0.105656 0.116230 0.114405 0.043638 -0.039035 26O 1s -0.002154 0.000136 -0.001274 0.000296 -0.001630 -0.001750 26O 2s -0.005235 0.001050 -0.002115 0.001105 -0.002312 -0.002248 26O 3s -0.005641 -0.018538 -0.046741 -0.003719 -0.049714 -0.049935 26O 4s 0.146478 0.066219 0.358766 0.010619 0.336662 0.355999 26O 5s 0.682596 0.318238 1.249779 -0.412195 0.712010 0.446212 26O 1pz 0.015787 -0.006965 0.036972 -0.000190 -0.011138 -0.035069 26O 1px -0.013490 0.017664 -0.027722 -0.002978 -0.010027 0.008159 26O 1py 0.010491 -0.001453 0.013512 0.008940 -0.022991 0.008481 26O 2pz -0.035886 -0.004137 -0.067351 0.022894 -0.065023 -0.024591 26O 2px -0.168869 -0.070026 -0.372720 0.035811 -0.180525 -0.158929 26O 2py -0.050014 -0.031915 -0.172250 0.056047 -0.116429 -0.079805 26O 3pz 0.197551 0.100009 0.220893 -0.081074 -0.236331 0.148791 26O 3px -0.147827 -0.163966 -0.241694 0.112350 -0.523918 -0.421204 26O 3py -0.245399 0.062804 0.046556 -0.009288 -0.301715 -0.230999 26O 1dz2 0.000320 -0.001426 0.003277 0.000040 0.001803 -0.000838 26O 1dxz -0.002126 -0.000473 0.001033 0.001153 -0.003888 -0.000106 26O 1dyz -0.000117 -0.001358 0.002609 0.001396 -0.001070 -0.001770 26O 1dx2y2 -0.001276 0.000556 -0.003066 -0.001939 -0.000573 0.002432 26O 1dxy -0.001347 0.000602 -0.000521 0.002819 -0.003945 -0.001824 26O 2dz2 -0.056163 0.031180 -0.121754 -0.152191 -0.035514 -0.044315 26O 2dxz -0.083264 -0.041083 -0.004479 -0.046626 0.154538 0.045938 26O 2dyz -0.008557 -0.016479 0.003776 0.127429 -0.134873 -0.022125 26O 2dx2y2 -0.058116 0.018327 0.041266 -0.173958 0.101910 0.015373 26O 2dxy 0.103160 0.012832 0.063623 -0.031397 0.085258 0.014541 26O 1f0 0.000456 0.002688 -0.001700 -0.001775 0.001944 -0.000141 26O 1f+1 0.001033 0.001355 0.004835 -0.001141 0.006278 0.001637 26O 1f-1 -0.000827 0.001535 0.002123 0.001107 0.000120 0.004521 26O 1f+2 -0.001590 -0.000645 -0.000380 -0.000929 -0.001351 -0.001554 26O 1f-2 0.000015 -0.000958 -0.000912 -0.000763 0.000359 0.000036 26O 1f+3 0.005021 0.004511 0.001568 -0.003707 0.002649 -0.000386 26O 1f-3 0.002457 0.000498 0.008200 0.000970 0.005355 0.004697 27O 1s 0.001425 -0.002039 -0.000706 -0.002526 0.002467 -0.002450 27O 2s 0.005127 -0.005949 -0.003044 -0.007163 0.005697 -0.005303 27O 3s -0.034502 0.035127 0.031178 0.021866 0.000941 -0.015025 27O 4s 0.050073 -0.073767 -0.130813 0.079727 -0.127340 0.173137 27O 5s -0.283544 -0.348125 0.086198 -0.064673 0.013961 0.382528 27O 1pz -0.013291 -0.003116 0.007026 0.035364 -0.032437 -0.004849 27O 1px 0.028453 -0.016722 0.001924 -0.022813 0.022368 0.022396 27O 1py 0.021313 0.008379 -0.002253 -0.026477 0.007825 0.017242 27O 2pz 0.030777 -0.006792 -0.006084 0.032886 -0.001373 0.007562 27O 2px 0.113118 0.088155 0.026427 -0.096995 0.069938 -0.048072 27O 2py -0.017602 -0.034229 -0.009929 0.017846 0.004180 0.037192 27O 3pz -0.418053 0.086802 -0.038470 0.096517 -0.055764 0.044367 27O 3px -0.656220 0.289274 0.108049 0.360519 -0.011491 -0.629454 27O 3py 0.476954 -0.150745 -0.168910 -0.313245 0.254282 0.093396 27O 1dz2 0.000706 0.000022 0.000678 -0.000750 -0.001168 0.000880 27O 1dxz -0.000448 -0.000782 -0.001385 0.004291 0.000950 0.000355 27O 1dyz -0.000165 0.001589 0.001242 -0.001978 -0.000757 0.000960 27O 1dx2y2 0.001822 0.000972 0.000839 -0.002150 0.002294 0.000188 27O 1dxy 0.003619 0.000334 0.000702 -0.002397 0.001845 0.004022 27O 2dz2 0.077219 -0.101023 -0.155912 0.132921 0.074474 0.079945 27O 2dxz 0.135327 -0.054099 -0.041495 0.086945 0.083997 0.046220 27O 2dyz -0.036523 -0.021122 0.050753 -0.075241 0.014769 -0.040807 27O 2dx2y2 0.054686 -0.048673 -0.042171 0.110090 0.011402 0.114566 27O 2dxy 0.025046 0.043771 0.082915 0.022673 -0.001529 0.025087 27O 1f0 -0.002944 -0.001184 -0.002339 0.001562 0.000358 -0.001581 27O 1f+1 0.001720 -0.004267 -0.001324 0.000505 0.000287 0.001553 27O 1f-1 -0.001923 0.002024 0.002736 -0.001599 0.000120 -0.001441 27O 1f+2 -0.000255 0.001022 0.003645 -0.000026 0.000897 -0.000888 27O 1f-2 -0.003547 0.001185 -0.000282 0.001299 -0.002848 -0.000344 27O 1f+3 0.000739 -0.004901 -0.002502 -0.001393 0.000057 0.001187 27O 1f-3 -0.002827 0.002587 0.000379 0.001983 -0.002324 -0.000249 28O 1s -0.000085 0.001485 0.003843 0.001810 -0.002806 0.000039 28O 2s 0.000133 0.003964 0.011589 0.003994 -0.004485 0.001172 28O 3s -0.001293 -0.018288 -0.048660 0.002321 -0.055258 -0.034675 28O 4s -0.044433 0.021167 -0.014780 -0.116536 0.416250 0.210313 28O 5s 0.097044 0.406022 -0.128325 0.254882 0.380463 0.319717 28O 1pz 0.007560 0.001080 -0.017719 0.014043 -0.002122 -0.008463 28O 1px -0.010744 -0.001390 -0.042232 0.005565 -0.036535 -0.044937 28O 1py -0.013125 0.011195 -0.047004 -0.011519 -0.006797 -0.011718 28O 2pz 0.034836 -0.082199 0.060459 0.006623 -0.131290 -0.100425 28O 2px -0.080608 0.045416 -0.080911 0.003700 0.123369 0.079041 28O 2py 0.038940 -0.005404 -0.004566 0.013907 -0.029780 -0.045187 28O 3pz -0.524850 -0.125121 -0.512512 -0.004706 -0.336833 -0.227680 28O 3px 0.199819 0.089660 0.167278 0.020638 0.563466 0.199518 28O 3py -0.131643 -0.081648 -0.285320 -0.115177 -0.025496 -0.160093 28O 1dz2 -0.005591 -0.001756 -0.001659 0.001099 -0.002022 0.000609 28O 1dxz 0.002239 0.001210 -0.001497 -0.000638 0.001250 0.000429 28O 1dyz -0.000673 0.002101 -0.002456 -0.000037 -0.001390 -0.001428 28O 1dx2y2 0.002443 -0.000524 0.001669 -0.000104 -0.000239 0.000912 28O 1dxy -0.001227 -0.000380 0.001684 -0.000098 0.000589 0.003065 28O 2dz2 -0.209040 -0.099646 0.073796 -0.062766 0.057987 0.088539 28O 2dxz -0.109665 -0.075803 0.034635 -0.007413 -0.035309 -0.017544 28O 2dyz 0.101027 0.026503 -0.000763 0.022473 -0.008205 -0.062650 28O 2dx2y2 -0.183052 -0.111256 -0.002528 0.060215 0.035120 -0.054907 28O 2dxy 0.010557 -0.059084 -0.031201 -0.030825 -0.006908 -0.066901 28O 1f0 -0.000197 0.000773 0.000967 -0.000017 0.001041 0.002298 28O 1f+1 -0.000283 0.003138 0.002741 -0.000519 0.003868 0.003562 28O 1f-1 0.000571 -0.000494 0.001918 0.000242 0.000755 0.000347 28O 1f+2 -0.001292 -0.003864 -0.002014 -0.001166 -0.004269 -0.003436 28O 1f-2 -0.000692 -0.001614 0.002052 -0.000697 0.002687 0.001886 28O 1f+3 0.001448 -0.000171 -0.000799 -0.003187 -0.000211 -0.001315 28O 1f-3 -0.000146 -0.000025 0.002024 0.000655 0.000068 0.004568 29O 1s -0.003805 -0.005180 -0.000131 0.000456 0.008650 -0.008710 29O 2s -0.009555 -0.013618 -0.000646 0.001141 0.024382 -0.023657 29O 3s 0.014363 0.033223 0.008988 -0.000650 -0.096356 0.073342 29O 4s 0.190827 0.232080 -0.030496 -0.019745 -0.188946 0.297951 29O 5s -0.671848 -1.067341 0.011115 0.000627 1.470711 -1.596821 29O 1pz -0.012805 -0.010390 0.005747 -0.004348 0.049024 0.035633 29O 1px 0.036500 0.016075 0.012486 -0.013697 -0.012019 0.033503 29O 1py 0.032239 0.023834 0.002399 -0.012142 0.000680 0.004952 29O 2pz 0.035167 0.064576 -0.014295 0.032122 -0.251924 -0.148903 29O 2px -0.041146 -0.052260 -0.012757 0.016249 0.037976 -0.177137 29O 2py 0.035089 0.031298 0.017262 -0.011665 -0.082799 0.090903 29O 3pz -0.047025 -0.006147 -0.183440 0.047327 -0.125670 -0.184365 29O 3px 0.319905 0.162698 -0.052508 -0.099390 -0.321449 0.235166 29O 3py -0.065958 0.317808 -0.039658 0.122089 -0.350696 0.435880 29O 1dz2 0.001443 -0.000120 -0.001043 -0.000566 -0.000746 -0.000383 29O 1dxz 0.001151 0.000383 0.002449 -0.000348 0.000076 0.000577 29O 1dyz -0.000991 0.000737 0.000758 0.001289 -0.001672 -0.001001 29O 1dx2y2 -0.002189 -0.000720 0.000577 0.000792 0.000781 -0.000933 29O 1dxy 0.001520 -0.000559 0.000589 -0.001017 -0.000002 -0.001413 29O 2dz2 -0.047470 -0.178773 -0.023379 -0.043766 0.347616 -0.114976 29O 2dxz 0.023851 -0.048791 0.051094 -0.013077 0.000754 -0.213819 29O 2dyz -0.067178 -0.086423 0.050912 -0.024688 0.280539 0.153657 29O 2dx2y2 -0.119315 -0.067723 0.016153 0.048671 0.015988 -0.095585 29O 2dxy 0.150246 0.192572 0.046113 -0.045210 -0.157428 0.374023 29O 1f0 0.000158 0.002038 0.000747 0.000443 -0.007996 0.004218 29O 1f+1 0.000674 -0.000150 -0.000997 -0.000329 0.001823 -0.002113 29O 1f-1 0.002753 0.005333 0.000146 0.001364 -0.017607 -0.001104 29O 1f+2 -0.000228 -0.001544 0.000458 -0.000719 0.007917 0.001206 29O 1f-2 -0.000930 -0.000646 0.001645 -0.001156 0.006681 0.013422 29O 1f+3 -0.000606 -0.001726 -0.001224 0.000557 0.001685 -0.007281 29O 1f-3 -0.001411 -0.000954 -0.000805 0.001494 -0.001510 -0.008452 30O 1s -0.000962 -0.000560 -0.001805 0.002546 -0.001665 -0.002028 30O 2s -0.000657 -0.003118 -0.005202 0.005437 -0.002312 -0.003780 30O 3s -0.056321 0.046596 0.032743 0.027478 -0.040008 -0.037671 30O 4s 0.338848 -0.170033 -0.063797 -0.328835 0.297544 0.297509 30O 5s 1.119359 -0.495526 -0.754159 -0.536486 0.247681 0.774730 30O 1pz -0.009023 0.010690 0.010644 -0.006272 -0.006465 -0.000471 30O 1px 0.026094 0.017016 0.005678 -0.033625 0.002229 0.007059 30O 1py -0.020283 0.005051 -0.000282 0.003731 -0.007377 0.007911 30O 2pz -0.166898 0.080130 0.092778 0.162441 -0.051298 -0.113337 30O 2px 0.262660 -0.106730 -0.089853 -0.178750 0.133147 0.128868 30O 2py 0.230569 -0.063960 -0.079074 -0.166876 0.079950 0.154218 30O 3pz -0.086839 0.152956 0.235828 -0.162614 -0.019383 -0.335234 30O 3px 0.338444 -0.302815 -0.186482 -0.204374 0.249234 0.337850 30O 3py 0.067613 -0.239049 -0.075526 0.212632 0.034248 0.399776 30O 1dz2 0.002283 0.000757 0.001734 0.000156 0.002875 0.000432 30O 1dxz 0.000501 0.000500 -0.002127 -0.002202 -0.001721 0.002525 30O 1dyz 0.000176 -0.001725 -0.000763 0.000554 -0.000833 0.002114 30O 1dx2y2 0.000277 -0.000579 0.000275 0.002293 -0.000114 0.000683 30O 1dxy -0.003905 -0.000797 -0.000396 0.002284 -0.000674 -0.005639 30O 2dz2 0.151608 0.046650 0.129741 0.054770 0.113786 0.123454 30O 2dxz -0.005349 0.084877 0.186056 0.046661 0.009462 -0.061141 30O 2dyz -0.136444 -0.037693 -0.068942 -0.022315 -0.075915 -0.027312 30O 2dx2y2 0.166322 0.016554 0.069320 0.052507 0.051940 0.032098 30O 2dxy 0.104366 -0.057642 -0.010036 -0.068226 0.027448 0.127913 30O 1f0 0.005590 -0.003618 -0.004163 -0.001766 0.000864 0.005389 30O 1f+1 -0.000279 -0.000117 0.000095 -0.000057 -0.000931 0.001487 30O 1f-1 -0.000990 -0.001014 -0.000528 -0.000416 -0.001024 -0.000821 30O 1f+2 -0.002753 0.003777 0.003579 -0.000180 -0.000662 -0.001334 30O 1f-2 -0.007615 0.005467 0.002512 0.003217 -0.004508 -0.003656 30O 1f+3 -0.000254 -0.000560 -0.000788 0.000266 0.001846 0.000823 30O 1f-3 -0.006364 0.003591 0.003118 0.001789 -0.001406 -0.004762 31O 1s -0.000957 0.000581 -0.001648 0.002509 0.001819 0.001654 31O 2s -0.000624 0.003190 -0.004649 0.005552 0.002778 0.002531 31O 3s -0.056947 -0.048499 0.027754 0.022048 0.037722 0.045710 31O 4s 0.341235 0.179752 -0.050756 -0.301390 -0.294302 -0.311386 31O 5s 1.130364 0.569552 -0.689603 -0.479024 -0.245817 -0.799160 31O 1pz 0.008941 0.010611 -0.009578 0.006884 -0.005347 -0.002162 31O 1px -0.025287 0.016917 -0.003620 0.034595 0.001958 0.006093 31O 1py 0.020520 0.006295 0.000357 -0.003021 -0.008515 0.008093 31O 2pz 0.168567 0.090353 -0.083551 -0.153276 -0.049602 -0.119957 31O 2px -0.264338 -0.115584 0.080318 0.165229 0.128417 0.140124 31O 2py -0.232378 -0.072108 0.070615 0.156426 0.077102 0.161394 31O 3pz 0.086113 0.170585 -0.213408 0.187355 -0.019942 -0.342402 31O 3px -0.346729 -0.325424 0.156241 0.164594 0.257135 0.358511 31O 3py -0.067902 -0.256526 0.043509 -0.242019 0.052494 0.413905 31O 1dz2 0.002295 -0.000923 0.001613 0.000206 -0.002850 -0.000434 31O 1dxz 0.000481 -0.000288 -0.002078 -0.002189 0.001713 -0.002587 31O 1dyz 0.000189 0.001820 -0.000547 0.000663 0.000710 -0.002323 31O 1dx2y2 0.000284 0.000540 0.000397 0.002317 0.000008 -0.000643 31O 1dxy -0.003899 0.000744 -0.000444 0.002169 0.000743 0.005769 31O 2dz2 0.151909 -0.061384 0.125281 0.058312 -0.110596 -0.134330 31O 2dxz -0.003531 -0.099337 0.175997 0.040188 -0.013574 0.060176 31O 2dyz -0.137082 0.045384 -0.064669 -0.022722 0.073548 0.035308 31O 2dx2y2 0.167777 -0.024030 0.069122 0.054352 -0.050729 -0.035857 31O 2dxy 0.104708 0.060277 -0.003438 -0.061052 -0.028604 -0.134712 31O 1f0 -0.005609 -0.003886 0.003685 0.001378 0.000632 0.005714 31O 1f+1 0.000254 -0.000187 -0.000109 0.000037 -0.000889 0.001472 31O 1f-1 0.000962 -0.001128 0.000456 0.000399 -0.000967 -0.000922 31O 1f+2 0.002789 0.004072 -0.003235 0.000464 -0.000600 -0.001717 31O 1f-2 0.007739 0.005673 -0.001984 -0.002626 -0.004360 -0.004415 31O 1f+3 0.000274 -0.000550 0.000774 -0.000344 0.001757 0.000830 31O 1f-3 0.006382 0.003843 -0.002651 -0.001446 -0.001323 -0.005157 32O 1s -0.003666 0.005125 -0.000055 0.000930 -0.008589 0.008622 32O 2s -0.009148 0.013503 -0.000484 0.002447 -0.024253 0.023039 32O 3s 0.012367 -0.033689 0.009514 -0.005192 0.096907 -0.062513 32O 4s 0.189369 -0.226469 -0.038341 -0.033858 0.182583 -0.339191 32O 5s -0.647598 1.056332 0.031173 0.089696 -1.460167 1.611898 32O 1pz 0.013352 -0.010999 -0.006218 0.001757 0.048634 0.041529 32O 1px -0.035674 0.015816 -0.011718 0.014129 -0.011723 0.036271 32O 1py -0.032093 0.023027 -0.000309 0.013028 0.002775 0.009843 32O 2pz -0.035126 0.065645 0.014787 -0.019456 -0.247298 -0.183054 32O 2px 0.038518 -0.051814 0.011968 -0.018127 0.040503 -0.182589 32O 2py -0.033000 0.032794 -0.017459 0.014308 -0.088837 0.077037 32O 3pz 0.043175 -0.010682 0.178619 -0.042370 -0.132030 -0.248066 32O 3px -0.316831 0.156503 0.049335 0.112694 -0.313872 0.251246 32O 3py 0.070734 0.317221 0.052006 -0.096008 -0.359202 0.423634 32O 1dz2 0.001449 0.000171 -0.000978 -0.000556 0.000726 0.000523 32O 1dxz 0.001088 -0.000409 0.002401 -0.000329 -0.000252 -0.000758 32O 1dyz -0.000963 -0.000793 0.000709 0.001150 0.001611 0.001312 32O 1dx2y2 -0.002174 0.000690 0.000609 0.000762 -0.000848 0.000890 32O 1dxy 0.001501 0.000555 0.000651 -0.000971 -0.000103 0.001312 32O 2dz2 -0.042081 0.179271 -0.021922 -0.024513 -0.335814 0.088258 32O 2dxz 0.025592 0.046638 0.052047 -0.010789 -0.004998 0.223114 32O 2dyz -0.070369 0.096172 0.052596 -0.011496 -0.291923 -0.186726 32O 2dx2y2 -0.118435 0.063816 0.019429 0.051284 -0.009424 0.125192 32O 2dxy 0.142532 -0.187429 0.038609 -0.053873 0.157560 -0.369524 32O 1f0 0.000149 0.001815 -0.000823 -0.000013 -0.007076 0.003268 32O 1f+1 -0.000748 -0.000265 0.001121 0.000207 0.001885 -0.002299 32O 1f-1 -0.002615 0.005539 -0.000234 -0.000448 -0.017664 -0.003064 32O 1f+2 0.000295 -0.001840 -0.000313 0.000300 0.008430 0.002063 32O 1f-2 0.001126 -0.000755 -0.001655 0.000858 0.006742 0.014388 32O 1f+3 0.000445 -0.001713 0.001166 -0.000598 0.001971 -0.006604 32O 1f-3 0.001274 -0.000865 0.000803 -0.001417 -0.001613 -0.009117 33O 1s -0.000231 -0.001899 0.003660 0.001604 0.002724 0.000961 33O 2s -0.000256 -0.005131 0.011097 0.003574 0.004228 0.001230 33O 3s -0.000155 0.022113 -0.046897 0.000758 0.056290 0.034295 33O 4s -0.041166 -0.013468 -0.012948 -0.097097 -0.414727 -0.275000 33O 5s 0.083518 -0.427404 -0.164035 0.246440 -0.358250 -0.310046 33O 1pz -0.007775 -0.000538 0.017466 -0.014090 -0.002238 -0.014316 33O 1px 0.010135 -0.003475 0.040926 -0.004122 -0.039475 -0.040136 33O 1py 0.013240 0.005797 0.047566 0.011854 -0.007177 -0.014125 33O 2pz -0.035459 -0.079658 -0.064897 -0.004069 -0.125381 -0.126501 33O 2px 0.081097 0.042154 0.081689 -0.007606 0.117402 0.094298 33O 2py -0.039479 -0.006314 0.004921 -0.012407 -0.030106 -0.054961 33O 3pz 0.519129 -0.153488 0.495309 0.005830 -0.368726 -0.169729 33O 3px -0.198911 0.099161 -0.151889 -0.037327 0.574663 0.207162 33O 3py 0.129050 -0.095126 0.278622 0.114281 -0.043964 -0.122034 33O 1dz2 -0.005550 0.001852 -0.001388 0.001230 0.002098 -0.000296 33O 1dxz 0.002285 -0.001087 -0.001560 -0.000674 -0.001222 -0.000853 33O 1dyz -0.000689 -0.001875 -0.002624 -0.000200 0.001550 0.001505 33O 1dx2y2 0.002407 0.000405 0.001704 -0.000092 0.000161 -0.000996 33O 1dxy -0.001237 0.000255 0.001787 0.000001 -0.000710 -0.003343 33O 2dz2 -0.212205 0.096116 0.083141 -0.053040 -0.063233 -0.091264 33O 2dxz -0.111344 0.074806 0.038513 -0.004957 0.032322 0.017070 33O 2dyz 0.101852 -0.027206 -0.004715 0.020025 0.010605 0.064468 33O 2dx2y2 -0.185758 0.106614 0.003247 0.064134 -0.035030 0.061350 33O 2dxy 0.012643 0.060388 -0.027949 -0.027734 0.007809 0.074996 33O 1f0 0.000257 0.000963 -0.000983 -0.000003 0.001042 0.001918 33O 1f+1 0.000423 0.003290 -0.002463 0.000538 0.003959 0.003496 33O 1f-1 -0.000531 -0.000385 -0.001912 -0.000316 0.000867 0.000049 33O 1f+2 0.001172 -0.004045 0.001732 0.001137 -0.004352 -0.002756 33O 1f-2 0.000692 -0.001452 -0.002240 0.000374 0.002671 0.002166 33O 1f+3 -0.001522 -0.000419 0.000857 0.003187 -0.000131 -0.001021 33O 1f-3 0.000176 0.000178 -0.002160 -0.000800 0.000050 0.004844 34O 1s 0.001450 0.002171 -0.000723 -0.002419 -0.002477 0.002271 34O 2s 0.005187 0.006455 -0.002967 -0.006833 -0.005782 0.004824 34O 3s -0.034899 -0.039207 0.027532 0.019334 0.000269 0.016869 34O 4s 0.050740 0.086259 -0.111585 0.086678 0.122624 -0.168926 34O 5s -0.264100 0.355407 0.120130 -0.033284 -0.037032 -0.397063 34O 1pz 0.013131 -0.001136 -0.008548 -0.034682 -0.033253 -0.001716 34O 1px -0.028500 -0.015646 -0.003070 0.020673 0.020429 0.027328 34O 1py -0.021324 0.006671 0.003209 0.026426 0.009073 0.015479 34O 2pz -0.029965 -0.005800 0.005097 -0.033080 -0.003392 0.010347 34O 2px -0.109709 0.092133 -0.013638 0.102755 0.063482 -0.046457 34O 2py 0.016450 -0.035535 0.005675 -0.021196 0.006546 0.034925 34O 3pz 0.415325 0.085125 0.042316 -0.089112 -0.050019 0.027439 34O 3px 0.663514 0.300527 -0.066576 -0.325314 -0.005637 -0.682593 34O 3py -0.480684 -0.157590 0.159303 0.292164 0.234035 0.122217 34O 1dz2 0.000701 -0.000004 0.000748 -0.000755 0.001092 -0.001072 34O 1dxz -0.000470 0.000661 -0.001289 0.004326 -0.000711 -0.000528 34O 1dyz -0.000173 -0.001607 0.001127 -0.002062 0.000673 -0.000888 34O 1dx2y2 0.001767 -0.001039 0.000679 -0.002162 -0.002250 -0.000132 34O 1dxy 0.003662 -0.000382 0.000708 -0.002267 -0.001868 -0.004230 34O 2dz2 0.074537 0.103695 -0.147145 0.141379 -0.061166 -0.084335 34O 2dxz 0.134861 0.053880 -0.037465 0.092914 -0.079156 -0.049905 34O 2dyz -0.033053 0.020355 0.052814 -0.071647 -0.020083 0.040417 34O 2dx2y2 0.054243 0.046258 -0.035658 0.115572 -0.005119 -0.119114 34O 2dxy 0.024609 -0.052177 0.078260 0.019903 0.001740 -0.027225 34O 1f0 0.002954 -0.001325 0.002351 -0.001611 0.000292 -0.001973 34O 1f+1 -0.001814 -0.004415 0.000930 -0.000844 0.000301 0.001711 34O 1f-1 0.001889 0.002195 -0.002519 0.001707 0.000204 -0.001382 34O 1f+2 0.000218 0.001295 -0.003568 0.000025 0.001034 -0.001012 34O 1f-2 0.003571 0.001192 0.000335 -0.001152 -0.002825 -0.000469 34O 1f+3 -0.000856 -0.005113 0.002023 0.001022 -0.000009 0.001701 34O 1f-3 0.002876 0.002674 -0.000108 -0.001735 -0.002364 -0.000288 35O 1s -0.002156 0.000026 -0.001151 0.000282 0.001640 0.002311 35O 2s -0.005296 -0.000701 -0.001856 0.001138 0.002273 0.003868 35O 3s -0.004189 0.020832 -0.045675 -0.005799 0.052138 0.044204 35O 4s 0.139918 -0.092069 0.347374 0.022199 -0.351284 -0.351629 35O 5s 0.667890 -0.369304 1.223257 -0.385440 -0.763281 -0.572359 35O 1pz -0.015709 -0.003444 -0.036226 0.001450 -0.010362 -0.039599 35O 1px 0.013548 0.015753 0.028044 0.004098 -0.011730 0.008438 35O 1py -0.010496 -0.000029 -0.014101 -0.008277 -0.022158 0.003149 35O 2pz 0.035555 -0.007226 0.066225 -0.019965 -0.067503 -0.037751 35O 2px 0.162966 -0.090468 0.363858 -0.029637 -0.196723 -0.156404 35O 2py 0.048139 -0.039066 0.168535 -0.051502 -0.125717 -0.086447 35O 3pz -0.192966 0.106175 -0.217181 0.088708 -0.222900 0.158155 35O 3px 0.143236 -0.175279 0.232209 -0.099456 -0.531706 -0.479001 35O 3py 0.246723 0.053782 -0.037098 0.028490 -0.287033 -0.254264 35O 1dz2 0.000360 0.001140 0.003319 0.000152 -0.001922 0.001038 35O 1dxz -0.002131 0.000309 0.001138 0.001040 0.003863 0.001278 35O 1dyz -0.000129 0.001059 0.002674 0.001347 0.000980 0.002691 35O 1dx2y2 -0.001248 -0.000249 -0.002988 -0.001863 0.000670 -0.002989 35O 1dxy -0.001365 -0.000670 -0.000542 0.002577 0.004016 0.002594 35O 2dz2 -0.053758 -0.016103 -0.123378 -0.154617 0.031758 0.061095 35O 2dxz -0.083892 0.044937 -0.005472 -0.038903 -0.160014 -0.033938 35O 2dyz -0.009911 0.010322 0.006133 0.121533 0.138930 0.026156 35O 2dx2y2 -0.058840 -0.009175 0.039110 -0.169098 -0.112498 -0.020891 35O 2dxy 0.103291 -0.016400 0.061968 -0.027842 -0.086423 -0.019832 35O 1f0 -0.000425 0.002379 0.002029 0.001919 0.002100 -0.000692 35O 1f+1 -0.000903 0.001459 -0.004626 0.000943 0.006586 0.001457 35O 1f-1 0.000943 0.001697 -0.002104 -0.001118 0.000218 0.004194 35O 1f+2 0.001554 -0.000796 0.000286 0.000940 -0.001257 -0.001485 35O 1f-2 -0.000073 -0.001043 0.000803 0.000634 0.000304 0.000414 35O 1f+3 -0.004922 0.004333 -0.001080 0.003916 0.002893 -0.000630 35O 1f-3 -0.002310 0.001034 -0.008243 -0.001336 0.005555 0.004550 336 337 338 339 340 341 1.60037 1.60287 1.61033 1.61107 1.63603 1.64184 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s -0.000375 0.000042 0.000359 0.000363 -0.000152 -0.000599 0Rh 2s 0.001491 0.000268 -0.002076 -0.000648 0.000347 0.001909 0Rh 3s -0.001285 0.000413 0.000839 0.001736 -0.000682 -0.002344 0Rh 4s -0.007203 -0.001356 0.010368 0.002973 -0.001606 -0.009028 0Rh 5s 0.007915 0.004309 -0.019167 0.002710 -0.000457 0.004406 0Rh 6s 0.009822 -0.008900 0.025608 -0.028863 0.012545 0.041880 0Rh 7s -0.029230 0.188330 -0.305609 0.239990 -0.111949 -0.426640 0Rh 8s 0.071995 0.270739 -0.081817 0.220552 -0.003026 0.079317 0Rh 1pz -0.002292 0.002107 0.002340 0.002302 -0.000269 0.001881 0Rh 1px 0.000504 -0.005200 -0.001916 -0.004355 0.000773 0.001847 0Rh 1py -0.002017 -0.006581 -0.001282 -0.001128 -0.000478 -0.001927 0Rh 2pz 0.007455 -0.007103 -0.007762 -0.008074 0.000626 -0.005732 0Rh 2px -0.002005 0.017492 0.006135 0.014614 -0.002877 -0.006940 0Rh 2py 0.006799 0.022895 0.004196 0.003916 0.001735 0.006313 0Rh 3pz 0.005358 -0.000404 -0.002622 0.006863 0.006276 -0.013128 0Rh 3px 0.006344 0.000581 0.007132 0.001489 0.005856 0.015245 0Rh 3py 0.000003 -0.015845 0.002511 -0.002789 -0.002435 0.003867 0Rh 4pz -0.064004 0.047413 0.056819 0.018899 -0.031980 0.088444 0Rh 4px -0.012444 -0.106706 -0.067459 -0.094628 -0.007417 -0.020379 0Rh 4py -0.040281 -0.066935 -0.034111 -0.009301 -0.001215 -0.052558 0Rh 5pz 0.109677 -0.099383 -0.096911 -0.013871 0.087726 -0.174244 0Rh 5px 0.024779 0.184264 0.133634 0.171128 0.028667 0.051905 0Rh 5py 0.063002 0.054193 0.052968 -0.004436 -0.004255 0.085542 0Rh 6pz -0.449097 0.664469 0.181953 0.091896 -1.134258 0.779572 0Rh 6px -0.185765 -0.959939 -0.472401 -0.839744 -0.396663 -0.170620 0Rh 6py -0.023259 1.027871 -0.050499 0.317633 0.320103 -0.031600 0Rh 1dz2 -0.003508 -0.003100 -0.004951 -0.002344 -0.016985 -0.004084 0Rh 1dxz 0.004367 0.000504 -0.002298 0.003756 -0.009498 -0.004577 0Rh 1dyz 0.008082 -0.005588 -0.000561 0.008684 0.011990 -0.025119 0Rh 1dx2y2 -0.003839 -0.003477 0.002009 0.003011 -0.014826 -0.012008 0Rh 1dxy -0.001582 0.001077 -0.001638 0.004838 0.001379 -0.008269 0Rh 2dz2 0.001791 0.000527 0.000683 0.000614 0.003955 0.001125 0Rh 2dxz -0.000859 -0.000421 0.000549 -0.000603 0.002601 -0.000268 0Rh 2dyz 0.001910 0.000407 0.000952 0.000117 -0.001240 0.003515 0Rh 2dx2y2 0.001490 0.000432 0.000441 0.000378 0.003343 0.001580 0Rh 2dxy 0.000877 0.000430 0.000321 -0.000267 0.000365 0.001376 0Rh 3dz2 0.000492 0.004992 0.008703 0.002876 0.023270 0.004774 0Rh 3dxz -0.006492 0.000682 0.003119 -0.006143 0.011303 0.011916 0Rh 3dyz -0.027272 0.011293 -0.002823 -0.020868 -0.023129 0.044042 0Rh 3dx2y2 0.002604 0.006283 -0.006658 -0.008717 0.020830 0.021575 0Rh 3dxy -0.000148 -0.004445 0.002381 -0.010228 -0.004835 0.013580 0Rh 4dz2 0.028407 0.010640 0.013393 0.010236 0.066316 0.019522 0Rh 4dxz -0.016352 -0.006769 0.008384 -0.013208 0.043932 0.002077 0Rh 4dyz 0.020108 0.011457 0.014022 -0.007543 -0.025631 0.071450 0Rh 4dx2y2 0.023317 0.008579 0.005237 0.002525 0.056273 0.030891 0Rh 4dxy 0.014182 0.005290 0.007097 -0.008831 0.003809 0.026382 0Rh 5dz2 -0.101785 -0.061652 -0.059046 -0.040710 -0.217674 -0.082299 0Rh 5dxz 0.077278 0.015650 -0.040680 0.058236 -0.176326 -0.033142 0Rh 5dyz -0.053884 -0.057331 -0.056926 0.074966 0.093552 -0.312100 0Rh 5dx2y2 -0.081315 -0.002466 0.000001 0.021880 -0.198072 -0.115172 0Rh 5dxy -0.051648 -0.016430 -0.028289 0.068530 -0.007345 -0.111799 0Rh 1f0 0.021933 -0.001899 -0.004112 0.002158 0.078110 0.011759 0Rh 1f+1 -0.031850 0.003459 0.004863 -0.032308 0.036839 -0.000154 0Rh 1f-1 0.000343 -0.022303 -0.001068 0.011939 -0.016709 0.010103 0Rh 1f+2 0.031234 0.026941 -0.003375 0.027152 -0.023202 -0.038827 0Rh 1f-2 -0.036650 0.013779 -0.010657 -0.044136 -0.010965 -0.036842 0Rh 1f+3 -0.010212 0.017240 0.009470 0.016146 0.042949 0.002443 0Rh 1f-3 0.013501 -0.052581 0.010714 0.010594 0.004375 -0.010216 1Rh 1s -0.000196 -0.000058 0.000395 -0.000224 0.000021 -0.000625 1Rh 2s 0.000762 -0.000211 -0.001975 0.000026 0.000013 0.002024 1Rh 3s -0.000685 -0.000471 0.001109 -0.001298 0.000130 -0.002429 1Rh 4s -0.003725 0.001081 0.009838 0.000089 -0.000073 -0.009578 1Rh 5s 0.004657 -0.004079 -0.016872 -0.007168 0.000599 0.004976 1Rh 6s 0.001280 0.009677 0.019405 0.030649 -0.001566 0.043102 1Rh 7s -0.045369 -0.196908 -0.227407 -0.267883 0.004401 -0.431506 1Rh 8s -0.000766 -0.266199 0.004299 -0.241741 0.019583 0.083023 1Rh 1pz 0.001960 0.002152 -0.002749 0.001670 -0.000207 -0.002035 1Rh 1px -0.002397 -0.005262 0.003587 -0.003687 0.000700 -0.001801 1Rh 1py 0.001928 -0.006517 0.001614 -0.000799 -0.000373 0.001859 1Rh 2pz -0.006232 -0.007253 0.009197 -0.005948 0.000345 0.006242 1Rh 2px 0.008347 0.017718 -0.011737 0.012378 -0.002407 0.006790 1Rh 2py -0.006501 0.022684 -0.005351 0.002815 0.001390 -0.006072 1Rh 3pz -0.007587 -0.000447 0.001379 0.006939 0.007802 0.013280 1Rh 3px -0.005708 0.000162 -0.007703 0.001094 0.001109 -0.015349 1Rh 3py 0.000090 -0.015930 -0.001659 -0.002961 -0.002656 -0.004109 1Rh 4pz 0.066160 0.048439 -0.060119 0.005966 -0.036509 -0.092037 1Rh 4px -0.026999 -0.106361 0.103235 -0.079174 0.009018 0.021689 1Rh 4py 0.037531 -0.065336 0.037056 -0.002420 0.001853 0.052062 1Rh 5pz -0.119450 -0.101245 0.099712 0.007238 0.097284 0.180306 1Rh 5px 0.036583 0.182988 -0.195182 0.141422 -0.004759 -0.053855 1Rh 5py -0.055271 0.051598 -0.053648 -0.013563 -0.009446 -0.085493 1Rh 6pz 0.658435 0.679922 -0.263866 0.053404 -1.175207 -0.798058 1Rh 6px 0.049684 -0.947078 0.732638 -0.718934 -0.283172 0.167761 1Rh 6py -0.092646 1.023740 -0.003869 0.309325 0.287242 0.074261 1Rh 1dz2 -0.004182 0.002803 -0.005321 0.001119 0.017384 -0.004525 1Rh 1dxz 0.002665 -0.000335 -0.000698 -0.004283 0.010199 -0.004975 1Rh 1dyz 0.006516 0.005626 0.001993 -0.008296 -0.011469 -0.024697 1Rh 1dx2y2 -0.002813 0.003173 0.002341 -0.002068 0.014025 -0.012420 1Rh 1dxy 0.001061 -0.001096 -0.001003 -0.005332 -0.001373 -0.008895 1Rh 2dz2 0.002155 -0.000448 0.000724 -0.000431 -0.004030 0.001240 1Rh 2dxz -0.000358 0.000397 0.000228 0.000706 -0.002711 -0.000263 1Rh 2dyz 0.002041 -0.000344 0.000919 0.000148 0.001159 0.003447 1Rh 2dx2y2 0.000789 -0.000369 0.000745 -0.000282 -0.003184 0.001711 1Rh 2dxy 0.000500 -0.000397 0.000357 0.000351 -0.000281 0.001461 1Rh 3dz2 0.000464 -0.004636 0.009413 -0.000787 -0.023886 0.005324 1Rh 3dxz -0.004720 -0.000972 0.000777 0.006962 -0.012490 0.012845 1Rh 3dyz -0.024180 -0.011661 -0.008667 0.018805 0.022248 0.043331 1Rh 3dx2y2 0.003305 -0.005842 -0.008779 0.006073 -0.019618 0.021989 1Rh 3dxy -0.004692 0.004346 0.000725 0.011000 0.004461 0.014691 1Rh 4dz2 0.034525 -0.009253 0.014066 -0.006748 -0.067581 0.021417 1Rh 4dxz -0.007114 0.006263 0.001945 0.014677 -0.045861 0.002408 1Rh 4dyz 0.023593 -0.010583 0.010855 0.010871 0.024096 0.070223 1Rh 4dx2y2 0.011605 -0.007492 0.009431 -0.001708 -0.053702 0.033005 1Rh 4dxy 0.006284 -0.004813 0.006872 0.010786 -0.002730 0.028113 1Rh 5dz2 -0.128132 0.056223 -0.061069 0.025645 0.221286 -0.089104 1Rh 5dxz 0.038366 -0.013286 -0.012963 -0.065197 0.181970 -0.033891 1Rh 5dyz -0.072357 0.054493 -0.031779 -0.085916 -0.087412 -0.307885 1Rh 5dx2y2 -0.032967 -0.000936 -0.009354 -0.019378 0.191908 -0.122260 1Rh 5dxy -0.019928 0.014789 -0.018946 -0.075987 0.004385 -0.119243 1Rh 1f0 -0.024896 -0.002572 0.003873 0.003806 0.074712 -0.010282 1Rh 1f+1 0.026864 0.004217 0.004653 -0.032873 0.039442 0.002204 1Rh 1f-1 0.005082 -0.022074 -0.003197 0.011001 -0.016163 -0.010046 1Rh 1f+2 -0.024130 0.026783 -0.005972 0.025739 -0.019963 0.040754 1Rh 1f-2 0.042492 0.014912 0.019569 -0.040665 -0.009725 0.035003 1Rh 1f+3 0.009312 0.017653 -0.012936 0.012046 0.047638 -0.002394 1Rh 1f-3 -0.007146 -0.052582 -0.014229 0.006171 0.007403 0.007588 2C 1s -0.010835 -0.011245 0.005776 0.005125 -0.001398 -0.007764 2C 2s -0.032870 -0.033746 0.017779 0.015761 -0.004146 -0.021935 2C 3s 0.332085 0.372803 -0.212838 -0.144775 0.028923 0.245262 2C 4s -0.650152 -0.892683 0.594592 0.225707 -0.008098 -0.431333 2C 5s 2.874671 2.753045 -1.128335 -1.451586 0.037638 3.495941 2C 1pz -0.005182 -0.088836 0.030695 0.047664 -0.098178 -0.135973 2C 1px 0.515098 0.130761 -0.184146 -0.471515 0.175247 0.119129 2C 1py -0.212446 -0.083842 0.081138 0.140701 0.129127 -0.110586 2C 2pz 0.153518 0.383821 -0.028095 -0.258045 0.356030 0.705647 2C 2px -1.732562 -0.502669 0.645952 1.649061 -0.609975 -0.419050 2C 2py 0.776746 0.333559 -0.242570 -0.506146 -0.402578 0.554767 2C 3pz 0.570481 0.411546 -0.184646 -0.245043 -0.060534 0.562246 2C 3px 0.938768 0.241159 -0.370922 -0.835936 0.286334 0.225173 2C 3py 0.028301 0.236350 0.038160 0.047782 0.068247 0.348583 2C 1dz2 0.004450 0.005463 -0.009900 -0.004065 0.003747 0.000102 2C 1dxz 0.039574 0.016886 -0.019138 -0.038156 0.004379 0.007296 2C 1dyz -0.017980 -0.008243 0.012023 0.014658 -0.017004 -0.005097 2C 1dx2y2 -0.013406 -0.003262 0.003503 0.018114 -0.015798 -0.000058 2C 1dxy -0.003930 0.003086 0.000235 0.000807 0.018755 0.000582 2C 2dz2 0.073874 0.085583 0.000093 -0.074632 -0.075221 0.171028 2C 2dxz 0.611517 0.185713 -0.196857 -0.467552 0.044873 0.284307 2C 2dyz -0.267016 0.025572 0.091147 0.237094 -0.103187 0.136566 2C 2dx2y2 -0.292616 -0.166598 0.123029 0.305992 -0.257483 -0.218638 2C 2dxy -0.134422 -0.003248 0.031339 0.098882 0.193506 0.025944 2C 1f0 -0.016852 -0.006730 0.002997 0.016112 -0.027077 -0.019251 2C 1f+1 -0.025467 -0.008110 0.003356 0.022137 0.014210 -0.019723 2C 1f-1 0.000402 -0.012855 0.004759 -0.015207 0.015378 -0.017362 2C 1f+2 0.059432 0.044320 -0.033987 -0.040646 0.021341 0.046821 2C 1f-2 0.021655 -0.016985 -0.001784 -0.023794 0.002288 -0.017060 2C 1f+3 0.030166 0.019804 -0.010640 -0.018237 -0.016090 0.026452 2C 1f-3 -0.051730 -0.018734 0.022512 0.044319 -0.021803 -0.019041 3C 1s 0.002627 0.013753 0.012588 0.007955 -0.001055 0.004586 3C 2s 0.008441 0.040187 0.038583 0.024596 -0.002827 0.014019 3C 3s -0.065462 -0.455193 -0.425357 -0.255104 0.026700 -0.176532 3C 4s 0.028354 1.045661 1.009688 0.563074 -0.049176 0.326410 3C 5s -1.043059 -3.936762 -2.995720 -1.866885 0.239302 -2.892214 3C 1pz 0.208440 0.473101 0.438960 0.250855 -0.136885 0.163427 3C 1px -0.163035 -0.239762 -0.208212 -0.135300 -0.090096 -0.027654 3C 1py 0.093291 -0.045291 0.087810 0.052514 -0.162233 -0.039173 3C 2pz -0.738394 -1.698779 -1.514750 -0.864868 0.472397 -0.668100 3C 2px 0.559051 0.789910 0.737737 0.384784 0.327607 0.105507 3C 2py -0.235739 0.304052 -0.290200 -0.141950 0.500058 0.219512 3C 3pz 0.206651 0.203066 0.403418 0.220853 -0.211148 -0.175878 3C 3px -0.338868 -0.621399 -0.538718 -0.312759 -0.009725 -0.205566 3C 3py 0.359525 0.803644 0.748429 0.450518 -0.193317 0.591656 3C 1dz2 -0.001394 -0.001713 0.005214 0.000712 0.013630 0.005312 3C 1dxz -0.010058 -0.018564 -0.011039 -0.005680 -0.017947 -0.005496 3C 1dyz -0.013781 -0.023560 -0.033598 -0.015803 0.010189 -0.006976 3C 1dx2y2 0.007814 0.019418 0.027920 0.018929 -0.009464 0.007679 3C 1dxy 0.009763 0.016018 0.017056 0.005464 -0.009947 0.009507 3C 2dz2 -0.047120 -0.019097 -0.094922 -0.030692 0.094364 -0.027183 3C 2dxz -0.116378 -0.359927 -0.231440 -0.153992 -0.221911 -0.129123 3C 2dyz -0.299321 -0.274856 -0.414216 -0.265674 0.136557 -0.078870 3C 2dx2y2 0.162072 0.480367 0.348479 0.181325 -0.183191 0.202024 3C 2dxy 0.074306 0.327708 0.228338 0.176362 -0.074323 0.140531 3C 1f0 0.019937 0.033715 0.035577 0.024268 -0.028647 0.018252 3C 1f+1 0.021897 0.047330 0.050354 0.029807 0.005679 0.024974 3C 1f-1 -0.013314 -0.005573 -0.031268 -0.017014 0.017486 -0.004753 3C 1f+2 0.005206 -0.048991 -0.025945 -0.014414 0.000704 -0.022549 3C 1f-2 -0.006514 -0.055854 -0.044053 -0.019696 -0.006679 -0.027890 3C 1f+3 0.003868 0.018866 0.015750 0.002238 -0.027673 0.012033 3C 1f-3 -0.024251 -0.047731 -0.034183 -0.026088 -0.004270 -0.020071 4C 1s -0.004523 0.008537 -0.002261 0.005330 -0.003169 0.012083 4C 2s -0.012151 0.028171 -0.008362 0.015703 -0.008649 0.039774 4C 3s 0.015498 -0.397302 0.132018 -0.146033 0.049136 -0.609902 4C 4s 0.060916 1.147979 -0.321655 0.607000 -0.019062 1.861528 4C 5s -1.222141 -0.928698 0.961226 1.190737 -0.443436 -0.275678 4C 1pz 0.068502 0.109669 -0.022174 0.002710 0.021420 0.037670 4C 1px -0.029680 0.027876 0.004892 0.034294 0.005107 0.003509 4C 1py 0.169765 -0.077324 -0.039912 -0.111817 0.011552 0.048450 4C 2pz -0.152341 0.138054 0.037984 -0.136163 -0.006203 0.626327 4C 2px 0.237676 -0.123569 -0.102004 0.411709 0.058730 -0.055749 4C 2py -0.264569 0.201031 0.124093 0.297956 -0.026645 0.306370 4C 3pz 1.735099 1.310141 -0.364959 -0.696799 -0.027421 2.232697 4C 3px 0.328763 0.354753 -0.039516 -0.116316 0.069352 0.490065 4C 3py 1.300195 0.819170 -0.268686 -0.605395 0.027576 1.531565 4C 1dz2 -0.000783 -0.012641 0.015105 -0.004749 -0.010263 0.000726 4C 1dxz -0.010999 -0.013984 0.014901 0.002543 -0.018002 -0.006711 4C 1dyz 0.004255 0.014867 -0.008407 -0.005299 -0.004438 0.006945 4C 1dx2y2 -0.004374 -0.007286 0.012354 0.004099 -0.010837 0.008302 4C 1dxy -0.002711 0.001668 -0.004560 0.002815 0.011471 0.006052 4C 2dz2 -0.130737 -0.111659 0.030610 -0.112878 -0.071603 -0.331423 4C 2dxz -0.264004 -0.346888 0.038587 0.417605 0.042046 -0.477140 4C 2dyz -0.007885 -0.021406 -0.089434 -0.032473 0.117435 -0.159564 4C 2dx2y2 0.236967 0.205096 0.009329 -0.078382 0.106606 0.603130 4C 2dxy 0.079028 -0.047141 0.005616 0.178722 -0.181172 0.153657 4C 1f0 -0.008442 -0.005127 -0.005846 0.010277 0.015291 -0.013388 4C 1f+1 0.007171 -0.003804 -0.003435 -0.014529 -0.001830 -0.027776 4C 1f-1 -0.003685 0.002584 0.003515 -0.004203 -0.014799 0.009614 4C 1f+2 0.006431 0.022251 -0.007927 -0.013637 -0.000021 0.022995 4C 1f-2 0.014392 0.006941 -0.003326 -0.007379 0.005444 0.006894 4C 1f+3 0.002032 0.014921 -0.007030 -0.017231 0.021743 0.011250 4C 1f-3 -0.010712 -0.016362 0.012337 -0.012680 -0.008014 -0.019925 5C 1s 0.006689 -0.011880 -0.000796 0.000646 -0.003188 -0.009848 5C 2s 0.020768 -0.039914 -0.004713 0.001093 -0.008642 -0.031422 5C 3s -0.196245 0.569171 0.176229 0.041400 0.023091 0.491901 5C 4s 0.528841 -1.533937 -0.504472 -0.054420 0.143568 -1.322223 5C 5s 0.212313 1.774313 1.599968 0.979741 -0.504398 0.103456 5C 1pz -0.098966 -0.209496 -0.143598 -0.052556 0.031113 -0.024269 5C 1px -0.028441 -0.046816 -0.049596 -0.048974 0.000545 -0.019633 5C 1py 0.015652 -0.023704 0.033844 0.005260 0.034938 -0.012613 5C 2pz 0.192048 -0.005354 0.224463 0.213044 -0.002211 -0.103737 5C 2px 0.247040 0.067655 0.264839 -0.218549 -0.032201 -0.218357 5C 2py -0.151790 0.522831 0.069852 -0.045521 -0.093206 0.346435 5C 3pz -0.640717 -1.206235 -1.002089 -0.584912 0.095945 -1.271282 5C 3px -0.413328 -0.884046 -0.557601 -0.364287 -0.068365 -0.947955 5C 3py 0.919918 1.798426 1.464995 0.827170 -0.026694 2.099187 5C 1dz2 0.001558 0.008536 -0.015128 -0.006856 -0.001247 0.001845 5C 1dxz -0.000266 0.005645 -0.006603 -0.004481 -0.018688 -0.001398 5C 1dyz -0.001151 0.010256 0.016610 0.009118 0.009754 0.016673 5C 1dx2y2 0.007089 0.005987 -0.012867 -0.004093 0.004995 0.004263 5C 1dxy 0.000807 0.000823 -0.006151 0.000392 -0.003529 0.002613 5C 2dz2 0.014663 0.127217 -0.001071 0.079566 -0.104923 0.203653 5C 2dxz 0.117168 0.392092 0.186350 -0.007895 0.164953 0.352022 5C 2dyz 0.092937 0.071464 0.198391 -0.018719 -0.061238 0.102381 5C 2dx2y2 -0.025365 -0.418590 -0.177245 -0.251030 0.000201 -0.479991 5C 2dxy -0.170447 -0.349219 -0.205667 0.111922 0.139120 -0.186345 5C 1f0 -0.002119 0.026059 0.013105 -0.007230 0.020493 0.010007 5C 1f+1 -0.007220 0.011868 0.011261 0.008240 -0.004539 0.017686 5C 1f-1 0.001698 -0.002265 -0.011732 -0.006840 -0.007703 -0.007835 5C 1f+2 -0.004394 0.005681 -0.013502 0.003732 -0.002037 -0.001249 5C 1f-2 -0.000295 -0.008801 -0.009880 0.004758 0.017941 -0.004930 5C 1f+3 -0.011230 0.002718 -0.004607 0.010071 0.004451 0.021297 5C 1f-3 -0.002027 -0.036508 -0.010346 0.000002 0.014055 -0.023793 6C 1s 0.004628 0.011821 -0.000097 -0.000801 0.003498 -0.009594 6C 2s 0.013897 0.039709 -0.002583 -0.002217 0.009756 -0.030710 6C 3s -0.084818 -0.565698 0.153266 0.004523 -0.040180 0.488648 6C 4s 0.138644 1.527938 -0.399285 -0.082642 -0.064655 -1.323834 6C 5s 0.377548 -1.754827 1.771094 -0.539202 0.521959 0.132776 6C 1pz 0.095868 -0.204578 0.153581 -0.012550 0.029938 0.022121 6C 1px 0.032761 -0.045453 0.059531 -0.033028 -0.001138 0.018104 6C 1py -0.030994 -0.022467 -0.030176 -0.004075 0.039371 0.011825 6C 2pz -0.132323 -0.011919 -0.284537 0.154202 -0.025896 0.104871 6C 2px -0.263345 0.057309 -0.198717 -0.293078 -0.045225 0.221441 6C 2py 0.079816 0.519319 -0.039534 -0.071875 -0.058997 -0.342707 6C 3pz 0.776775 -1.180387 1.088568 -0.311572 0.082671 1.282637 6C 3px 0.481056 -0.865962 0.621578 -0.214960 -0.066686 0.957439 6C 3py -1.173522 1.765648 -1.572993 0.432379 -0.001628 -2.113302 6C 1dz2 0.000658 -0.008692 -0.016014 0.002587 0.000760 0.002093 6C 1dxz -0.000319 -0.005855 -0.007555 0.002540 0.018331 -0.001288 6C 1dyz 0.001346 -0.009994 0.017828 -0.004685 -0.009379 0.016524 6C 1dx2y2 0.003590 -0.006024 -0.012190 0.000090 -0.003849 0.003675 6C 1dxy -0.000757 -0.000683 -0.005489 -0.002222 0.004513 0.002007 6C 2dz2 0.027681 -0.127178 0.015929 -0.078867 0.096479 0.200574 6C 2dxz 0.163953 -0.387702 0.171051 0.058962 -0.177433 0.358892 6C 2dyz 0.104249 -0.067023 0.185758 0.066159 0.076570 0.107902 6C 2dx2y2 -0.088569 0.415144 -0.218463 0.194280 0.029848 -0.476765 6C 2dxy -0.215043 0.342684 -0.164564 -0.166671 -0.128933 -0.182905 6C 1f0 -0.002269 0.025844 -0.009989 -0.010812 0.021460 -0.009658 6C 1f+1 0.003239 0.011827 -0.011915 0.005271 -0.003731 -0.017253 6C 1f-1 -0.000365 -0.002213 0.012787 -0.003633 -0.007577 0.008303 6C 1f+2 0.005614 0.005595 0.011903 0.007122 -0.001121 0.002382 6C 1f-2 0.004806 -0.008456 0.006995 0.007384 0.017745 0.005110 6C 1f+3 0.008971 0.002797 0.002702 0.011139 0.004684 -0.021920 6C 1f-3 0.007003 -0.036381 0.009195 0.002336 0.013364 0.024137 7C 1s -0.006627 -0.008386 -0.000060 -0.005831 0.003234 0.011717 7C 2s -0.018994 -0.027637 -0.001583 -0.017661 0.008979 0.038540 7C 3s 0.090097 0.388033 0.062464 0.180426 -0.053123 -0.591485 7C 4s -0.099686 -1.120509 -0.089585 -0.696143 0.059137 1.794983 7C 5s -1.035513 0.888136 1.170836 -0.925074 0.446913 -0.266632 7C 1pz -0.085288 0.107871 0.023197 0.007173 0.016344 -0.036620 7C 1px 0.021912 0.029021 -0.011428 0.031611 0.005807 -0.004705 7C 1py -0.131825 -0.082406 0.056848 -0.096585 0.007703 -0.045126 7C 2pz 0.223081 0.137976 -0.022434 -0.125142 -0.015536 -0.618063 7C 2px -0.198735 -0.136777 -0.020530 0.431382 0.037618 0.071211 7C 2py 0.240573 0.204294 -0.192312 0.262622 -0.038694 -0.307185 7C 3pz -1.544614 1.265156 0.466779 -0.606001 0.019489 -2.195600 7C 3px -0.320685 0.341579 0.060805 -0.099533 0.058579 -0.480768 7C 3py -1.151016 0.789623 0.367300 -0.530586 0.052954 -1.516190 7C 1dz2 -0.002068 0.012699 0.013472 0.009160 0.009473 0.001869 7C 1dxz -0.010400 0.013763 0.014718 0.001657 0.017216 -0.006181 7C 1dyz 0.003152 -0.014756 -0.008946 0.003053 0.003442 0.006450 7C 1dx2y2 -0.004177 0.007351 0.012994 -0.000782 0.011562 0.008333 7C 1dxy -0.003539 -0.001661 -0.003401 -0.004088 -0.011213 0.005972 7C 2dz2 -0.090574 0.105181 -0.013852 0.125464 0.061849 -0.321817 7C 2dxz -0.248480 0.340268 0.137754 -0.392462 -0.043754 -0.472434 7C 2dyz 0.007621 0.019470 -0.100051 0.012467 -0.132234 -0.157111 7C 2dx2y2 0.195079 -0.197312 0.003031 0.074848 -0.103215 0.600532 7C 2dxy 0.054687 0.052707 0.058992 -0.173932 0.182537 0.140595 7C 1f0 0.007434 -0.004867 0.003256 0.011890 0.015351 0.013623 7C 1f+1 -0.009538 -0.003458 0.007801 -0.013621 -0.001908 0.027660 7C 1f-1 0.006165 0.002600 -0.003088 -0.004870 -0.015412 -0.009300 7C 1f+2 -0.005903 0.021951 0.010782 -0.011133 0.000547 -0.022174 7C 1f-2 -0.012372 0.006465 0.004516 -0.006502 0.005025 -0.007304 7C 1f+3 -0.001850 0.015164 0.011098 -0.015105 0.022309 -0.011509 7C 1f-3 0.008799 -0.015797 -0.007844 -0.015959 -0.007410 0.018375 8C 1s 0.004955 -0.013635 0.013652 -0.004363 0.000886 0.004796 8C 2s 0.015320 -0.039840 0.041954 -0.013622 0.002535 0.014686 8C 3s -0.142975 0.450814 -0.458178 0.136430 -0.026502 -0.182624 8C 4s 0.218057 -1.034985 1.074764 -0.288245 0.063201 0.338009 8C 5s -1.588344 3.883410 -3.256549 1.038389 -0.192377 -2.925670 8C 1pz -0.232971 0.461727 -0.484152 0.131139 -0.141511 -0.164908 8C 1px 0.159749 -0.244465 0.249542 -0.080634 -0.082271 0.041748 8C 1py -0.084694 -0.052196 -0.094593 0.027875 -0.167999 0.039672 8C 2pz 0.837642 -1.659765 1.666984 -0.447001 0.474694 0.673944 8C 2px -0.547928 0.804658 -0.858649 0.196477 0.290591 -0.155073 8C 2py 0.188780 0.326786 0.307716 -0.067533 0.540900 -0.223954 8C 3pz -0.170802 0.191916 -0.455183 0.110179 -0.226292 0.170573 8C 3px 0.365372 -0.624145 0.615468 -0.170572 -0.003013 0.224669 8C 3py -0.448168 0.780127 -0.812884 0.244409 -0.191691 -0.595930 8C 1dz2 -0.000898 0.001999 0.004872 0.000821 -0.013531 0.005346 8C 1dxz -0.009485 0.018543 -0.012780 0.002991 0.017161 -0.006727 8C 1dyz -0.015617 0.023105 -0.036268 0.006564 -0.010364 -0.007841 8C 1dx2y2 0.009203 -0.018671 0.031298 -0.011181 0.010250 0.007547 8C 1dxy 0.010157 -0.015906 0.018372 -0.001330 0.010965 0.009634 8C 2dz2 -0.050978 0.019921 -0.101695 0.007116 -0.097767 -0.027596 8C 2dxz -0.128530 0.360265 -0.266206 0.089687 0.226123 -0.142455 8C 2dyz -0.293433 0.267591 -0.473799 0.156047 -0.155501 -0.089102 8C 2dx2y2 0.196100 -0.468844 0.374216 -0.083869 0.174062 0.198905 8C 2dxy 0.104359 -0.328594 0.266490 -0.112221 0.067050 0.140753 8C 1f0 -0.021902 0.033310 -0.040619 0.014604 -0.029071 -0.018685 8C 1f+1 -0.024715 0.045653 -0.055468 0.015830 0.005292 -0.025824 8C 1f-1 0.013854 -0.005105 0.034430 -0.008541 0.018368 0.004714 8C 1f+2 0.002543 -0.048555 0.027225 -0.007259 -0.000528 0.021934 8C 1f-2 0.014059 -0.055315 0.045877 -0.007582 -0.007614 0.028347 8C 1f+3 -0.007259 0.018115 -0.014706 -0.001899 -0.027052 -0.010925 8C 1f-3 0.024757 -0.048015 0.040889 -0.016965 -0.003809 0.021891 9C 1s -0.009832 0.010834 0.006411 -0.003416 0.001088 -0.007561 9C 2s -0.030111 0.032513 0.019838 -0.010537 0.003343 -0.021341 9C 3s 0.297169 -0.359588 -0.226785 0.085093 -0.023572 0.238062 9C 4s -0.561586 0.863677 0.593951 -0.069671 0.004281 -0.413388 9C 5s 2.471227 -2.665649 -1.321982 1.134572 -0.060140 3.442971 9C 1pz 0.006580 -0.090666 -0.043257 0.046379 -0.100830 0.141257 9C 1px -0.500742 0.120837 0.296685 -0.420304 0.176485 -0.120568 9C 1py 0.159085 -0.072551 -0.095433 0.103824 0.135467 0.099234 9C 2pz -0.147172 0.386594 0.093783 -0.263408 0.350577 -0.725137 9C 2px 1.689739 -0.470198 -1.040606 1.469631 -0.616784 0.425931 9C 2py -0.590335 0.293949 0.296824 -0.383983 -0.432771 -0.512594 9C 3pz -0.464458 0.390953 0.203590 -0.181035 -0.058088 -0.543251 9C 3px -0.898839 0.221519 0.564645 -0.734457 0.296187 -0.223197 9C 3py -0.059857 0.241596 -0.036992 0.011505 0.081519 -0.356170 9C 1dz2 0.002277 -0.005302 -0.009856 0.000949 -0.004383 -0.000617 9C 1dxz 0.038024 -0.016062 -0.027848 0.032721 -0.004762 0.006863 9C 1dyz -0.017120 0.007738 0.014880 -0.010838 0.016510 -0.004704 9C 1dx2y2 -0.013483 0.003165 0.008143 -0.017436 0.016781 -0.001109 9C 1dxy -0.002260 -0.003316 -0.000023 -0.000627 -0.018617 0.001368 9C 2dz2 0.040415 -0.078024 -0.006555 0.062924 0.084104 0.164172 9C 2dxz 0.559398 -0.170447 -0.296657 0.410205 -0.042970 0.278647 9C 2dyz -0.275966 -0.030034 0.152918 -0.211925 0.117283 0.135298 9C 2dx2y2 -0.280725 0.162591 0.193133 -0.270088 0.264616 -0.225503 9C 2dxy -0.116675 -0.001270 0.052086 -0.087092 -0.188425 0.034193 9C 1f0 0.016682 -0.006594 -0.007238 0.016312 -0.027684 0.020871 9C 1f+1 0.022849 -0.007550 -0.008365 0.021308 0.013651 0.019644 9C 1f-1 -0.003583 -0.011935 0.000679 -0.015984 0.016450 0.016093 9C 1f+2 -0.052073 0.042955 0.040579 -0.030208 0.020778 -0.046182 9C 1f-2 -0.024226 -0.016596 0.009253 -0.023504 0.003254 0.016301 9C 1f+3 -0.026100 0.018599 0.013840 -0.015568 -0.016159 -0.025263 9C 1f-3 0.049161 -0.016901 -0.032198 0.037468 -0.022745 0.017616 10H 1s -0.126235 -0.065629 0.056412 0.123638 -0.058521 -0.076165 10H 2s 1.640695 0.761531 -0.656631 -1.442766 0.602097 0.852411 10H 3s -1.237289 -0.600510 0.530770 1.077369 -0.399669 -0.602958 10H 1pz -0.040904 0.013216 0.019587 0.018501 -0.023645 0.051422 10H 1px -0.321988 -0.129976 0.126437 0.275509 -0.111010 -0.130131 10H 1py -0.004186 -0.002851 -0.003221 0.022994 -0.003819 0.008400 11H 1s 0.098646 0.008372 -0.036910 -0.093114 -0.005289 0.002501 11H 2s -1.167698 -0.102277 0.342364 1.004324 0.097362 -0.086791 11H 3s 0.689511 -0.093364 -0.243911 -0.656576 0.081056 -0.198293 11H 1pz 0.031001 0.038690 -0.030578 -0.023572 0.020791 0.038265 11H 1px -0.157770 -0.007923 0.028509 0.148006 -0.005141 -0.016016 11H 1py 0.184723 0.044310 -0.108529 -0.138505 0.039800 0.027115 12H 1s -0.002707 -0.011313 0.001688 -0.018036 0.077930 -0.026026 12H 2s 0.048657 0.117371 -0.028316 0.193416 -0.719807 0.183590 12H 3s -0.145745 -0.256245 0.106470 -0.076180 0.374207 -0.314275 12H 1pz -0.042497 -0.014425 0.051103 -0.015023 0.032954 0.025523 12H 1px -0.107631 -0.022351 0.064439 0.109996 -0.079294 -0.002424 12H 1py 0.058118 0.043036 -0.028937 -0.022963 -0.043899 0.051926 13H 1s 0.053891 0.149598 0.120883 0.066226 0.013238 0.067140 13H 2s -0.697898 -1.752036 -1.442646 -0.828763 -0.104097 -0.642698 13H 3s 0.512232 1.267043 1.130479 0.656744 -0.061696 0.447396 13H 1pz -0.065312 -0.177880 -0.151120 -0.087364 0.005880 -0.062870 13H 1px 0.124649 0.268354 0.222111 0.129752 0.016247 0.073904 13H 1py -0.059952 -0.045328 -0.093027 -0.047829 -0.004880 -0.002952 14H 1s -0.005765 0.036397 0.028259 0.014543 -0.070201 0.024152 14H 2s 0.031653 -0.312619 -0.317379 -0.166389 0.651977 -0.218546 14H 3s -0.003108 0.359715 0.383606 0.251228 -0.355204 0.291624 14H 1pz -0.037251 -0.117788 -0.113597 -0.051696 0.019958 -0.028250 14H 1px 0.033059 0.005033 0.021281 0.008553 0.066045 -0.033674 14H 1py -0.018880 -0.015805 -0.114875 -0.048465 0.053216 -0.011729 15H 1s -0.058487 -0.057760 -0.103474 -0.057604 0.062711 -0.023297 15H 2s 0.696488 0.802971 1.056392 0.620395 -0.611507 0.277248 15H 3s -0.428028 -0.343047 -0.626605 -0.332618 0.356797 0.007498 15H 1pz -0.116984 -0.187948 -0.248409 -0.124719 0.062334 -0.046852 15H 1px 0.045789 0.034709 -0.014048 0.000651 -0.022041 -0.002977 15H 1py -0.027838 0.032676 0.009485 -0.004795 0.031178 0.000453 16H 1s -0.106835 0.057186 0.029269 -0.125418 -0.081396 0.135269 16H 2s 0.635170 -0.470070 -0.195738 0.751401 0.551519 -0.958190 16H 3s -0.195433 0.097516 0.062852 -0.291067 -0.147673 0.302752 16H 1pz 0.066324 -0.036810 -0.021859 0.071921 0.032644 -0.075608 16H 1px -0.001511 -0.060785 0.008263 -0.058484 0.048656 0.007554 16H 1py 0.090757 -0.028229 -0.005708 0.115543 0.091838 -0.088425 17H 1s 0.079552 -0.036569 0.032530 0.191887 0.051506 -0.249829 17H 2s -0.570151 0.123717 -0.212388 -1.216241 -0.403615 1.569998 17H 3s 0.161278 -0.058124 0.079297 0.330981 0.123122 -0.365350 17H 1pz 0.014746 -0.002223 0.017837 0.055535 0.049756 -0.104393 17H 1px 0.045088 -0.044187 0.019729 0.073394 -0.036261 -0.076073 17H 1py -0.061659 0.030846 -0.006377 -0.153393 -0.072502 0.158523 18H 1s 0.054447 0.038379 0.087447 -0.173285 -0.059541 -0.253084 18H 2s -0.376980 -0.139268 -0.571832 1.097509 0.443041 1.593251 18H 3s 0.121096 0.063505 0.172706 -0.295865 -0.122506 -0.373741 18H 1pz -0.011293 -0.006125 -0.033446 0.048473 0.057800 0.112820 18H 1px -0.016922 -0.043796 -0.045821 0.066613 -0.036213 0.074594 18H 1py 0.064566 0.030915 0.043851 -0.144122 -0.077371 -0.159524 19H 1s -0.105139 -0.061101 -0.004737 0.130939 0.068665 0.139149 19H 2s 0.683786 0.491924 -0.010181 -0.789360 -0.477386 -0.982597 19H 3s -0.188232 -0.106289 -0.015858 0.297823 0.139395 0.312179 19H 1pz -0.060800 -0.039816 0.002343 0.072779 0.023312 0.075813 19H 1px 0.010453 -0.062394 0.005850 -0.060666 0.043530 -0.010524 19H 1py -0.081375 -0.031564 -0.028078 0.116504 0.085120 0.092858 20H 1s -0.058233 0.055405 -0.114540 0.029289 -0.066324 -0.024528 20H 2s 0.700981 -0.774586 1.180869 -0.334244 0.640223 0.285493 20H 3s -0.392439 0.325286 -0.700729 0.165019 -0.380745 0.001594 20H 1pz 0.124632 -0.181816 0.270944 -0.056897 0.064918 0.046903 20H 1px -0.034516 0.035874 0.007572 0.005965 -0.024748 0.000973 20H 1py 0.020984 0.033646 -0.007520 -0.007820 0.034030 0.000422 21H 1s 0.001223 -0.034091 0.027430 -0.006386 0.068541 0.020193 21H 2s -0.042752 0.286558 -0.309195 0.073050 -0.636573 -0.183768 21H 3s 0.080024 -0.341315 0.400550 -0.138696 0.344546 0.276996 21H 1pz 0.048846 -0.115785 0.120939 -0.020589 0.019180 0.028147 21H 1px -0.025632 0.008442 -0.029239 0.003580 0.063203 0.029213 21H 1py 0.031594 -0.011170 0.117176 -0.016117 0.053788 0.008136 22H 1s 0.062349 -0.148196 0.134242 -0.033757 -0.011204 0.070764 22H 2s -0.797658 1.739178 -1.611704 0.437703 0.093972 -0.679885 22H 3s 0.592305 -1.256860 1.261070 -0.349364 0.069540 0.476108 22H 1pz 0.075067 -0.173206 0.166430 -0.045440 0.005436 0.063946 22H 1px -0.137379 0.268400 -0.251412 0.070167 0.013376 -0.080570 22H 1py 0.056479 -0.041560 0.101548 -0.022583 -0.001011 0.003578 23H 1s 0.009149 0.009627 -0.007311 0.020859 -0.079614 -0.021392 23H 2s -0.068621 -0.095806 0.065406 -0.230497 0.743410 0.140517 23H 3s -0.044998 0.241285 0.046764 0.128226 -0.388046 -0.288583 23H 1pz 0.022942 -0.011631 -0.038683 -0.033400 0.034275 -0.033611 23H 1px 0.105479 -0.021951 -0.091125 0.092619 -0.080844 0.003333 23H 1py -0.036897 0.039107 0.026009 -0.010037 -0.047317 -0.047787 24H 1s 0.094213 -0.005723 -0.057812 0.080479 0.005600 -0.000241 24H 2s -1.088105 0.071407 0.567320 -0.885762 -0.094581 -0.064652 24H 3s 0.649818 0.109967 -0.393906 0.574107 -0.084059 -0.208880 24H 1pz -0.028365 0.037556 0.034241 -0.015828 0.018285 -0.036743 24H 1px 0.159592 -0.004144 -0.067109 0.139442 -0.005749 0.014981 24H 1py -0.156030 0.038949 0.131656 -0.101868 0.038307 -0.020080 25H 1s -0.117101 0.062831 0.083387 -0.107789 0.059226 -0.076498 25H 2s 1.542347 -0.725198 -0.975345 1.258182 -0.604390 0.855771 25H 3s -1.165764 0.572402 0.767836 -0.928463 0.404654 -0.603420 25H 1pz 0.041865 0.015272 -0.022663 0.010970 -0.022254 -0.054084 25H 1px 0.307065 -0.122615 -0.188437 0.239607 -0.111317 0.129383 25H 1py 0.017634 -0.005208 -0.007945 0.028913 -0.006288 -0.004465 26O 1s 0.003521 0.000034 -0.000296 0.000817 -0.000596 -0.000878 26O 2s 0.009817 -0.000668 -0.000599 0.000883 -0.001033 -0.004378 26O 3s -0.026158 0.021856 -0.003321 0.029157 -0.007290 0.064317 26O 4s -0.055561 -0.115567 0.010626 -0.173623 0.100363 -0.294384 26O 5s -0.746493 -0.234085 0.112388 -0.418990 -0.389904 -1.284123 26O 1pz 0.023830 0.034089 -0.015172 -0.049320 -0.006394 0.044547 26O 1px 0.011798 -0.028980 -0.004968 0.018823 0.001091 0.004628 26O 1py 0.029174 0.007617 -0.004031 -0.030131 0.035441 0.025909 26O 2pz 0.082042 0.046852 -0.024642 -0.043490 0.024053 0.087016 26O 2px 0.057581 0.025315 -0.035742 0.124491 0.015081 0.209644 26O 2py 0.068802 0.014719 -0.014827 0.022988 0.024458 0.125138 26O 3pz -0.197237 0.133087 0.177088 0.195325 -0.198763 0.071604 26O 3px 0.161338 0.489670 0.087374 0.433741 -0.089649 0.606118 26O 3py -0.066290 0.238186 0.076524 0.229407 -0.106740 0.355765 26O 1dz2 0.000913 0.000651 -0.000769 -0.003150 -0.000899 -0.001172 26O 1dxz 0.004761 0.003197 -0.001310 -0.001835 0.000901 0.004284 26O 1dyz 0.003738 0.001987 -0.002158 -0.002691 0.001813 0.000688 26O 1dx2y2 -0.002473 0.000166 -0.000082 0.004157 -0.000859 -0.000296 26O 1dxy 0.003141 -0.000899 0.000051 0.000582 0.000698 0.002484 26O 2dz2 0.098403 0.091631 -0.108362 0.051651 0.008169 -0.006335 26O 2dxz 0.037659 0.063064 -0.055544 -0.053468 0.147590 -0.056888 26O 2dyz 0.007128 0.008077 0.008698 0.017545 0.038941 0.035348 26O 2dx2y2 -0.042255 0.051634 -0.067077 0.003149 0.116576 -0.025403 26O 2dxy -0.009297 -0.024207 0.036641 -0.055909 -0.164391 -0.058010 26O 1f0 0.002458 0.000040 -0.001419 -0.000638 0.004070 -0.001513 26O 1f+1 0.000591 -0.000282 0.000031 -0.003213 0.003164 -0.003774 26O 1f-1 0.001788 -0.000353 0.000553 -0.001100 0.000629 -0.001974 26O 1f+2 -0.000601 0.001147 -0.000300 0.000032 0.002256 0.001538 26O 1f-2 -0.001089 0.000535 0.000619 0.000815 -0.001741 -0.000113 26O 1f+3 0.002405 -0.000919 -0.000758 -0.003783 -0.000020 -0.000885 26O 1f-3 0.000070 -0.001951 0.002099 -0.003156 -0.003166 -0.005512 27O 1s -0.001413 -0.000780 -0.001529 -0.004171 -0.001789 0.000401 27O 2s -0.004186 -0.000366 -0.004496 -0.009984 -0.004148 0.001746 27O 3s 0.022817 -0.042856 0.015183 -0.004868 -0.000083 -0.035515 27O 4s -0.020163 0.279414 0.012990 0.297843 0.136252 0.150678 27O 5s -0.126959 0.474190 0.246650 -0.015498 -0.424284 1.716834 27O 1pz -0.028218 -0.044289 -0.026789 0.013233 -0.024093 -0.013521 27O 1px -0.017613 0.013656 -0.008322 -0.041019 -0.001387 -0.012667 27O 1py 0.018956 0.052412 0.033662 0.011246 -0.018929 0.020123 27O 2pz -0.031231 -0.041078 -0.029130 -0.004707 0.009212 -0.015418 27O 2px 0.060800 -0.142293 -0.029636 -0.154455 0.032296 -0.225042 27O 2py 0.015982 0.094445 0.073668 0.064212 -0.032998 0.102231 27O 3pz 0.057531 -0.060683 0.077982 -0.018559 -0.199033 -0.011764 27O 3px 0.126078 -0.361649 0.106490 0.093848 -0.170096 -0.547774 27O 3py 0.005301 -0.019428 -0.259593 -0.129584 0.251755 -0.003938 27O 1dz2 -0.000879 0.000547 0.000026 0.000348 -0.001204 0.001112 27O 1dxz -0.002629 -0.005570 -0.002254 -0.001051 -0.000422 -0.001201 27O 1dyz 0.000842 0.001677 0.001779 0.000626 -0.000004 -0.000338 27O 1dx2y2 0.001529 0.001089 0.002323 -0.000615 -0.000010 -0.001612 27O 1dxy 0.001416 0.003533 0.003492 0.001606 -0.000430 0.002600 27O 2dz2 0.006429 -0.070328 0.079254 -0.019837 -0.068801 -0.088450 27O 2dxz -0.026841 -0.030703 0.036116 0.032717 0.200816 0.033685 27O 2dyz 0.002792 0.093519 -0.019197 0.083296 0.015499 0.035585 27O 2dx2y2 -0.026089 -0.005666 0.095202 0.068712 0.038417 0.055268 27O 2dxy -0.003279 -0.035388 0.044160 -0.034395 0.097159 -0.032299 27O 1f0 0.002975 0.002099 0.002373 0.001221 0.001032 -0.000008 27O 1f+1 -0.001950 0.003560 0.000954 0.002401 0.002945 0.004449 27O 1f-1 0.000210 -0.000116 -0.000272 -0.000222 -0.002640 -0.000476 27O 1f+2 -0.000449 -0.001882 -0.001537 0.000523 -0.000169 -0.000613 27O 1f-2 0.000434 -0.001127 -0.000228 0.000060 -0.001983 -0.002479 27O 1f+3 -0.003044 0.003047 -0.000941 0.001038 -0.003112 0.004072 27O 1f-3 0.001848 -0.001444 0.002295 -0.000182 0.002319 -0.002585 28O 1s 0.004726 0.004622 -0.000923 -0.004361 -0.000492 0.000707 28O 2s 0.011731 0.010324 -0.002530 -0.009812 -0.000992 0.000296 28O 3s -0.010542 0.024651 0.005339 -0.017533 -0.003681 0.049642 28O 4s -0.273154 -0.420536 0.033932 0.387420 0.064682 -0.277313 28O 5s 0.150670 -0.150511 -0.091892 0.024012 -0.246112 -1.970376 28O 1pz 0.028805 0.004297 -0.000430 -0.015883 0.020544 0.013830 28O 1px -0.012102 -0.011858 -0.004237 0.043510 0.004952 0.001775 28O 1py 0.019641 -0.000864 -0.000717 -0.001031 -0.011328 0.017104 28O 2pz 0.091933 0.159556 -0.036423 -0.146884 0.027283 0.240485 28O 2px -0.030433 -0.143888 0.014548 0.149602 -0.012470 -0.205447 28O 2py 0.044637 0.018786 -0.002981 -0.033966 0.009969 0.073433 28O 3pz -0.242239 0.200119 0.213572 0.361315 -0.162359 0.519930 28O 3px -0.013573 -0.170915 -0.074387 0.005034 0.105879 -0.688128 28O 3py -0.058055 -0.005989 0.095192 0.157284 -0.402415 -0.011813 28O 1dz2 0.000943 0.002404 -0.000660 0.001105 0.001850 0.002511 28O 1dxz -0.000884 -0.002910 0.000038 0.001009 -0.000976 -0.005465 28O 1dyz 0.000989 -0.000784 -0.000189 -0.000153 -0.001015 0.001772 28O 1dx2y2 -0.001082 -0.000361 0.000067 -0.001083 0.000214 0.000462 28O 1dxy -0.002001 0.000833 -0.000752 0.000440 0.001295 -0.003292 28O 2dz2 -0.036166 0.058907 -0.087698 0.044598 0.139659 -0.022777 28O 2dxz -0.045078 0.110121 -0.038569 -0.031139 0.153649 0.115758 28O 2dyz 0.022642 0.009870 0.015150 -0.001804 -0.057400 -0.006776 28O 2dx2y2 0.007482 0.081871 -0.080427 0.016378 0.237571 0.011430 28O 2dxy 0.056203 0.110230 -0.016254 -0.036880 -0.189373 0.042488 28O 1f0 0.002896 -0.000870 -0.000337 -0.000749 -0.003069 -0.002625 28O 1f+1 0.000443 -0.003451 0.000266 0.000994 -0.000964 -0.003463 28O 1f-1 0.001335 0.000816 0.000072 -0.000067 -0.000588 -0.001340 28O 1f+2 -0.004124 0.003628 0.000321 -0.000296 -0.000884 0.006278 28O 1f-2 -0.001175 -0.000240 0.000807 0.002745 -0.001088 -0.001108 28O 1f+3 -0.001607 0.001622 -0.000016 -0.000007 -0.003015 0.001821 28O 1f-3 -0.002495 -0.001399 0.000758 0.001518 0.001919 -0.002316 29O 1s 0.000107 0.002232 0.002834 0.002975 -0.000755 -0.001017 29O 2s -0.000319 0.005423 0.008242 0.008583 -0.002487 -0.004934 29O 3s 0.015437 -0.002942 -0.037713 -0.037466 0.017420 0.065455 29O 4s -0.075350 -0.156303 -0.032655 -0.047035 -0.029280 -0.222693 29O 5s 0.068576 0.603695 0.443865 0.529989 -0.056446 0.037578 29O 1pz -0.040652 0.015391 -0.000262 -0.055351 -0.032471 0.078129 29O 1px -0.016075 0.018834 -0.001996 -0.020120 -0.007414 0.026538 29O 1py -0.003258 -0.002899 0.001724 0.014390 0.001252 -0.029736 29O 2pz 0.190236 -0.095395 -0.011772 0.304011 0.117143 -0.341515 29O 2px 0.064360 -0.020616 0.036990 0.146255 0.029665 -0.161354 29O 2py -0.001746 0.020526 -0.037504 -0.057094 0.007526 0.101527 29O 3pz 0.362823 -0.166315 0.021740 0.475598 0.400044 -0.628279 29O 3px 0.081411 -0.120697 -0.101908 0.147252 0.136374 -0.471403 29O 3py -0.040122 -0.219028 -0.083361 -0.211030 -0.048565 0.149310 29O 1dz2 0.001814 -0.000048 0.000178 0.002651 0.003642 -0.002907 29O 1dxz -0.001986 0.003074 0.000213 -0.001495 -0.003872 0.003242 29O 1dyz 0.000910 -0.001002 -0.000083 0.000086 -0.001602 -0.000956 29O 1dx2y2 -0.000333 -0.001108 -0.000440 -0.002306 -0.001583 0.000872 29O 1dxy 0.000445 0.001195 0.000247 0.001431 0.000393 -0.001591 29O 2dz2 -0.137797 0.108862 0.052414 -0.157128 -0.121096 0.193187 29O 2dxz 0.082090 -0.021602 0.046142 0.240922 0.050872 -0.378337 29O 2dyz -0.256095 0.115950 0.006349 -0.402753 -0.198573 0.469381 29O 2dx2y2 0.058329 -0.030674 -0.016094 0.027687 0.018907 -0.028437 29O 2dxy -0.109373 0.060833 -0.055658 -0.210507 -0.032288 0.347156 29O 1f0 0.001831 -0.001306 -0.003447 -0.003025 0.001173 0.006257 29O 1f+1 0.000233 0.000021 0.001464 0.003034 0.001300 -0.002845 29O 1f-1 0.009671 -0.004607 -0.003280 0.010177 0.007758 -0.008813 29O 1f+2 -0.005300 0.003381 0.001813 -0.004647 -0.004410 0.005440 29O 1f-2 -0.009028 0.005241 -0.002310 -0.020566 -0.006853 0.024862 29O 1f+3 0.002525 -0.000710 0.002169 0.008087 0.001541 -0.009287 29O 1f-3 0.004337 -0.003033 0.001127 0.009088 0.002348 -0.011291 30O 1s -0.003379 -0.005661 -0.003608 0.000149 -0.001675 0.000943 30O 2s -0.009380 -0.011841 -0.008509 0.000333 -0.003916 0.004514 30O 3s 0.026049 -0.047610 -0.008867 0.001892 0.002441 -0.063629 30O 4s 0.096495 0.594704 0.266692 0.011433 0.114467 0.316615 30O 5s 0.279070 0.355522 0.434422 -0.297163 -0.571622 0.985491 30O 1pz -0.006038 -0.003825 -0.023115 0.004106 0.022790 -0.032639 30O 1px 0.019857 -0.011944 0.012788 -0.037039 -0.008389 -0.014953 30O 1py 0.004130 0.018490 0.016508 0.019158 0.012528 0.034166 30O 2pz -0.046479 -0.151515 -0.102962 0.016180 0.038672 -0.155902 30O 2px 0.024549 0.157271 0.099488 -0.057051 -0.024780 0.156622 30O 2py 0.055134 0.168401 0.139311 0.002080 -0.052667 0.175659 30O 3pz 0.038107 -0.316638 0.113223 -0.011148 0.052033 -0.016305 30O 3px 0.044243 0.448539 0.127601 0.023805 -0.044093 0.227599 30O 3py -0.213442 0.122006 -0.252672 -0.067931 0.411924 0.119320 30O 1dz2 -0.000962 -0.001806 -0.000222 -0.000854 0.001975 -0.000851 30O 1dxz 0.001118 0.002056 0.000754 -0.001868 -0.001272 0.000201 30O 1dyz 0.000104 0.002819 0.002092 0.000214 -0.001475 -0.000682 30O 1dx2y2 0.000460 0.001000 0.000896 0.001341 0.001185 0.000300 30O 1dxy -0.000460 -0.000763 -0.001724 0.001268 -0.000283 -0.001062 30O 2dz2 -0.057529 -0.016856 0.102545 -0.023286 0.095872 0.027703 30O 2dxz -0.048496 -0.049107 -0.014017 0.033322 0.253741 0.022697 30O 2dyz 0.032795 0.023571 -0.030058 0.012557 -0.101532 -0.052910 30O 2dx2y2 -0.027388 -0.116578 0.026109 0.017171 0.094458 -0.022980 30O 2dxy -0.018156 0.108321 0.051820 -0.063975 0.150852 0.044792 30O 1f0 -0.000293 0.001100 0.001342 -0.001179 -0.002881 0.002967 30O 1f+1 0.000813 0.003337 0.003359 0.000862 -0.001104 0.002619 30O 1f-1 0.000525 0.001734 0.000567 0.000983 0.002577 0.001668 30O 1f+2 0.001580 -0.001912 -0.000265 0.001210 0.002757 0.000046 30O 1f-2 0.002859 -0.004978 -0.001281 0.000952 0.000868 -0.005885 30O 1f+3 -0.000089 0.003112 0.001044 0.000842 0.000093 0.002879 30O 1f-3 0.002185 -0.001320 0.000993 0.002717 -0.002181 -0.003139 31O 1s -0.003874 0.005622 -0.003375 -0.001098 0.001711 0.000992 31O 2s -0.010293 0.011754 -0.007994 -0.002554 0.003887 0.004608 31O 3s 0.017249 0.047211 -0.006669 -0.004509 -0.000012 -0.063279 31O 4s 0.167810 -0.589226 0.250551 0.059176 -0.125192 0.310761 31O 5s 0.424819 -0.338181 0.301306 0.420575 0.531938 1.010409 31O 1pz 0.006006 -0.003201 0.021444 0.010121 0.023126 0.032082 31O 1px -0.020136 -0.012255 -0.002954 -0.039361 -0.009366 0.013747 31O 1py -0.005844 0.017930 -0.020270 0.014552 0.013625 -0.034807 31O 2pz 0.071118 -0.148474 0.090696 0.042896 0.037042 0.157946 31O 2px -0.052311 0.154499 -0.076658 -0.081860 -0.024010 -0.158140 31O 2py -0.087092 0.164653 -0.128310 -0.034893 -0.050027 -0.178154 31O 3pz 0.036420 -0.317522 -0.127866 -0.028720 0.007169 -0.002523 31O 3px -0.120579 0.445023 -0.111550 -0.022251 -0.009629 -0.231787 31O 3py 0.129170 0.129239 0.285753 -0.012798 0.457959 -0.102237 31O 1dz2 -0.000948 0.001773 -0.000447 0.000745 -0.001871 -0.000737 31O 1dxz 0.001638 -0.002029 0.000130 0.002068 0.001064 0.000207 31O 1dyz 0.000586 -0.002824 0.001924 0.000456 0.001130 -0.000686 31O 1dx2y2 0.000629 -0.001003 0.001126 -0.000967 -0.001470 0.000284 31O 1dxy -0.001486 0.000758 -0.001067 -0.001751 0.000551 -0.001100 31O 2dz2 -0.035540 0.016155 0.086852 0.050086 -0.096918 0.025286 31O 2dxz -0.060590 0.046734 -0.001620 -0.035788 -0.251875 0.028626 31O 2dyz 0.028613 -0.023102 -0.025213 -0.021903 0.102384 -0.053067 31O 2dx2y2 -0.024993 0.116110 0.027195 -0.007317 -0.092105 -0.019522 31O 2dxy 0.008201 -0.107722 0.027356 0.076858 -0.154392 0.046718 31O 1f0 -0.000730 0.001024 -0.000705 -0.001507 -0.002836 -0.002860 31O 1f+1 -0.001136 0.003237 -0.003383 -0.000022 -0.001191 -0.002504 31O 1f-1 -0.000423 0.001712 -0.000855 0.000812 0.002463 -0.001794 31O 1f+2 -0.001266 -0.001894 -0.000155 0.001307 0.002609 -0.000056 31O 1f-2 -0.001971 -0.004955 0.000819 0.001293 0.000766 0.005933 31O 1f+3 -0.000156 0.003118 -0.001231 0.000595 0.000096 -0.002876 31O 1f-3 -0.001220 -0.001344 -0.001908 0.002424 -0.002318 0.003207 32O 1s -0.001420 -0.002225 0.003965 -0.002113 0.000704 -0.000894 32O 2s -0.004479 -0.005449 0.011400 -0.005973 0.001920 -0.004599 32O 3s 0.028504 0.004141 -0.049291 0.023212 -0.005614 0.064547 32O 4s -0.025201 0.150435 -0.062361 0.049530 -0.019829 -0.225928 32O 5s -0.199527 -0.597394 0.651538 -0.403125 0.085648 0.046511 32O 1pz 0.035434 0.016961 0.016177 -0.053188 -0.031430 -0.080830 32O 1px 0.009606 0.019341 0.008839 -0.018841 -0.006032 -0.026101 32O 1py 0.003167 -0.001943 -0.004591 0.010873 0.005035 0.028150 32O 2pz -0.168054 -0.101718 -0.074578 0.297830 0.110338 0.352138 32O 2px -0.034043 -0.021760 -0.081676 0.128617 0.032457 0.162205 32O 2py -0.018476 0.016960 0.052535 -0.034287 -0.001828 -0.091945 32O 3pz -0.336840 -0.174362 -0.155076 0.461161 0.370983 0.644237 32O 3px -0.126957 -0.120017 0.076680 0.152781 0.183416 0.482612 32O 3py -0.033990 -0.221145 0.153068 -0.164808 -0.051866 -0.138475 32O 1dz2 0.001800 0.000103 0.000865 -0.002475 -0.003573 -0.003053 32O 1dxz -0.001917 -0.003152 -0.000203 0.001499 0.003872 0.003373 32O 1dyz 0.000692 0.001020 0.000001 -0.000129 0.001655 -0.000944 32O 1dx2y2 -0.000586 0.001071 -0.000987 0.002160 0.001470 0.000992 32O 1dxy 0.000223 -0.001222 0.000629 -0.001159 -0.000506 -0.001615 32O 2dz2 -0.149224 -0.108347 0.021041 0.154369 0.086499 0.175399 32O 2dxz 0.052869 0.025586 0.118447 -0.222660 -0.068978 -0.395726 32O 2dyz -0.239460 -0.129382 -0.102351 0.394254 0.188899 0.485938 32O 2dx2y2 0.046145 0.036721 0.000319 -0.044696 -0.009918 -0.043208 32O 2dxy -0.042089 -0.061374 -0.121571 0.172936 0.050917 0.335565 32O 1f0 -0.001996 -0.001154 0.004208 -0.002321 -0.000218 -0.006763 32O 1f+1 -0.000055 -0.000096 -0.002629 0.003048 0.001864 0.003825 32O 1f-1 -0.009544 -0.004910 0.000746 0.010549 0.006143 0.008417 32O 1f+2 0.005308 0.003605 -0.000732 -0.004948 -0.003833 -0.005308 32O 1f-2 0.007182 0.005628 0.008097 -0.019245 -0.007597 -0.025721 32O 1f+3 -0.001052 -0.000508 -0.004178 0.006336 0.001703 0.008374 32O 1f-3 -0.003072 -0.003233 -0.003842 0.008575 0.002577 0.011637 33O 1s 0.004811 -0.004528 -0.001971 0.004050 0.000603 0.000686 33O 2s 0.012084 -0.010099 -0.004894 0.009055 0.001324 0.000238 33O 3s -0.015386 -0.024565 0.001774 0.017246 0.001892 0.049603 33O 4s -0.246745 0.413247 0.122492 -0.365640 -0.060525 -0.277872 33O 5s 0.192505 0.153826 -0.097490 -0.038160 0.253463 -1.946244 33O 1pz -0.026498 0.003557 0.003565 -0.014912 0.020830 -0.014537 33O 1px 0.018993 -0.011978 -0.009080 0.043260 0.004115 -0.001075 33O 1py -0.017765 -0.001692 0.000345 -0.000476 -0.010880 -0.015072 33O 2pz -0.077982 0.156825 0.067851 -0.131744 0.029725 -0.239285 33O 2px 0.020572 -0.143309 -0.049168 0.140842 -0.017336 0.206124 33O 2py -0.037016 0.017563 0.009578 -0.032127 0.009941 -0.073564 33O 3pz 0.265990 0.202960 -0.308532 0.307238 -0.174797 -0.505145 33O 3px -0.010606 -0.167412 0.080055 0.015147 0.125465 0.671702 33O 3py 0.086934 -0.006509 -0.141600 0.131305 -0.411957 0.013866 33O 1dz2 0.001129 -0.002375 -0.000353 -0.001320 -0.001673 0.002425 33O 1dxz -0.000888 0.002909 0.000248 -0.000902 0.000807 -0.005337 33O 1dyz 0.000686 0.000825 -0.000115 0.000043 0.001164 0.001667 33O 1dx2y2 -0.000908 0.000312 -0.000288 0.001114 -0.000263 0.000519 33O 1dxy -0.001416 -0.000907 -0.000776 -0.000591 -0.001473 -0.003271 33O 2dz2 -0.018955 -0.060623 -0.076536 -0.067795 -0.140566 -0.029459 33O 2dxz -0.044828 -0.111188 -0.043526 0.018403 -0.157102 0.115187 33O 2dyz 0.010241 -0.008781 0.017218 0.006885 0.059340 -0.003301 33O 2dx2y2 0.002214 -0.082240 -0.070066 -0.036675 -0.239511 0.010843 33O 2dxy 0.047681 -0.108621 -0.021546 0.032860 0.190461 0.036434 33O 1f0 -0.003251 -0.000942 0.000614 -0.000676 -0.003161 0.002775 33O 1f+1 -0.000835 -0.003456 -0.000390 0.000936 -0.001154 0.003550 33O 1f-1 -0.001320 0.000793 -0.000047 -0.000082 -0.000515 0.001287 33O 1f+2 0.004519 0.003691 -0.000389 -0.000265 -0.000735 -0.006168 33O 1f-2 0.000838 -0.000212 -0.001404 0.002431 -0.001203 0.001098 33O 1f+3 0.001851 0.001633 -0.000063 0.000094 -0.003028 -0.001697 33O 1f-3 0.001687 -0.001324 -0.000871 0.001270 0.001809 0.002179 34O 1s -0.001883 0.000746 -0.002382 0.003613 0.001852 0.000531 34O 2s -0.005141 0.000271 -0.006543 0.008411 0.004274 0.002042 34O 3s 0.018026 0.043117 0.014426 0.009255 0.001155 -0.035403 34O 4s 0.023646 -0.277827 0.076391 -0.285430 -0.144586 0.140674 34O 5s -0.037196 -0.476986 0.208566 0.064178 0.360289 1.750025 34O 1pz 0.029580 -0.043402 0.022655 0.019574 -0.023886 0.015067 34O 1px 0.013123 0.013549 0.019692 -0.037688 -0.000933 0.013616 34O 1py -0.023141 0.052038 -0.035368 0.002154 -0.019448 -0.019749 34O 2pz 0.030940 -0.040242 0.030086 0.003229 0.008029 0.016403 34O 2px -0.044942 -0.143144 0.063096 -0.144734 0.024464 0.227682 34O 2py -0.025465 0.093785 -0.085681 0.043421 -0.029710 -0.105148 34O 3pz -0.061541 -0.060925 -0.068202 -0.034937 -0.192789 0.004932 34O 3px 0.011537 -0.360983 -0.165726 0.066634 -0.219500 0.537302 34O 3py -0.030634 -0.021174 0.290778 -0.062240 0.265933 0.022225 34O 1dz2 -0.000647 -0.000587 0.000047 -0.000338 0.001040 0.001112 34O 1dxz -0.002711 0.005510 -0.002486 0.000409 0.000520 -0.001227 34O 1dyz 0.001028 -0.001664 0.001859 -0.000180 0.000095 -0.000297 34O 1dx2y2 0.001530 -0.001066 0.002149 0.001203 0.000198 -0.001620 34O 1dxy 0.002252 -0.003534 0.003599 -0.000593 0.000055 0.002654 34O 2dz2 0.018012 0.071876 0.068106 0.041104 0.067666 -0.094947 34O 2dxz -0.019833 0.031192 0.041423 -0.020999 -0.200423 0.035046 34O 2dyz 0.000364 -0.093277 0.003969 -0.085945 -0.015365 0.036024 34O 2dx2y2 -0.003945 0.005206 0.104150 -0.043148 -0.041740 0.054688 34O 2dxy -0.000794 0.034879 0.032796 0.046397 -0.096658 -0.025324 34O 1f0 -0.002678 0.001985 -0.002702 0.000547 0.000938 0.000031 34O 1f+1 0.001504 0.003551 -0.001412 0.002141 0.002962 -0.004621 34O 1f-1 0.000048 -0.000094 0.000262 -0.000175 -0.002608 0.000528 34O 1f+2 0.000589 -0.001795 0.001311 0.000934 -0.000168 0.000557 34O 1f-2 -0.000346 -0.001124 0.000207 0.000097 -0.002001 0.002482 34O 1f+3 0.002602 0.003092 0.000765 0.001321 -0.002884 -0.004063 34O 1f-3 -0.001689 -0.001491 -0.002216 -0.000854 0.002402 0.002515 35O 1s 0.003165 0.000040 0.000030 -0.000887 0.000693 -0.000957 35O 2s 0.009210 0.000845 -0.000179 -0.001029 0.001199 -0.004527 35O 3s -0.032387 -0.021507 0.006401 -0.029856 0.008502 0.063004 35O 4s -0.002593 0.109928 -0.051040 0.175459 -0.109033 -0.284480 35O 5s -0.695503 0.203559 -0.023562 0.447878 0.381732 -1.247473 35O 1pz -0.018851 0.033579 0.025582 -0.044733 -0.005595 -0.043747 35O 1px -0.012657 -0.029362 0.000800 0.019568 0.001746 -0.004585 35O 1py -0.030716 0.006977 0.011813 -0.028656 0.034994 -0.026805 35O 2pz -0.079190 0.044425 0.033751 -0.035854 0.024787 -0.085560 35O 2px -0.035923 0.020666 -0.004594 0.131815 0.015791 -0.202271 35O 2py -0.057856 0.011771 0.005008 0.026465 0.025301 -0.121916 35O 3pz 0.164837 0.134888 -0.213566 0.152811 -0.225929 -0.066278 35O 3px -0.110579 0.477660 -0.220349 0.414703 -0.139683 -0.581041 35O 3py 0.099798 0.235501 -0.146845 0.218081 -0.135346 -0.354120 35O 1dz2 0.000758 -0.000655 -0.001533 0.002953 0.000765 -0.001100 35O 1dxz 0.004848 -0.003065 -0.001706 0.001375 -0.000559 0.004139 35O 1dyz 0.003460 -0.001917 -0.002681 0.002086 -0.001690 0.000657 35O 1dx2y2 -0.001970 -0.000205 0.000862 -0.004136 0.000935 -0.000446 35O 1dxy 0.002804 0.000995 0.000315 -0.000642 -0.000417 0.002415 35O 2dz2 0.095969 -0.089269 -0.089881 -0.078514 -0.003548 -0.020386 35O 2dxz 0.046122 -0.064089 -0.068740 0.037448 -0.149085 -0.056765 35O 2dyz 0.003627 -0.007311 0.013190 -0.014586 -0.038703 0.041646 35O 2dx2y2 -0.038602 -0.053897 -0.064569 -0.021318 -0.117321 -0.028746 35O 2dxy -0.009111 0.023071 0.020368 0.065407 0.163914 -0.061952 35O 1f0 -0.002356 -0.000010 0.001503 -0.000211 0.003925 0.001515 35O 1f+1 -0.000693 -0.000215 0.000826 -0.003150 0.003238 0.003548 35O 1f-1 -0.002511 -0.000351 -0.000024 -0.001271 0.000728 0.001897 35O 1f+2 0.000804 0.001134 0.000192 0.000126 0.002357 -0.001555 35O 1f-2 0.001019 0.000561 -0.000790 0.000574 -0.001634 0.000152 35O 1f+3 -0.002151 -0.000950 0.001652 -0.003462 0.000023 0.000900 35O 1f-3 -0.000733 -0.001837 -0.000980 -0.003715 -0.003140 0.005332 342 343 344 345 346 347 1.64761 1.64829 1.65364 1.72099 1.72669 1.74567 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s 0.001084 -0.001450 -0.000215 -0.000089 -0.000897 0.003289 0Rh 2s -0.002369 0.003924 0.000541 0.000252 0.006578 -0.013900 0Rh 3s 0.004912 -0.006105 -0.000931 -0.000369 -0.001240 0.010797 0Rh 4s 0.010841 -0.018271 -0.002554 -0.001201 -0.032997 0.067588 0Rh 5s 0.006749 0.000377 0.000362 0.000505 0.065066 -0.075659 0Rh 6s -0.106642 0.126121 0.013730 0.004749 -0.080684 -0.114829 0Rh 7s 1.080857 -1.216663 -0.096984 0.022792 1.101765 -0.007946 0Rh 8s -0.192089 0.183506 -0.175499 0.111087 -0.396099 -0.466011 0Rh 1pz 0.000025 0.000386 -0.001351 -0.002127 -0.000657 -0.003516 0Rh 1px 0.000693 -0.000331 0.004844 -0.000810 0.021941 0.003327 0Rh 1py 0.002305 -0.001625 0.000610 -0.003581 0.004465 -0.003538 0Rh 2pz -0.000565 -0.000247 0.004445 0.007156 0.002175 0.011581 0Rh 2px -0.000071 -0.001431 -0.016729 0.002475 -0.072331 -0.009429 0Rh 2py -0.007887 0.005212 -0.002533 0.012222 -0.014971 0.012111 0Rh 3pz 0.010174 -0.022571 0.002469 0.000375 0.002302 0.006469 0Rh 3px -0.048458 0.054323 0.008001 0.005508 -0.038058 -0.037915 0Rh 3py 0.001994 0.005975 0.010146 -0.002470 -0.002538 -0.003615 0Rh 4pz -0.036514 0.093664 -0.037462 -0.043532 -0.031262 -0.096751 0Rh 4px 0.197489 -0.210917 0.070588 -0.036051 0.592675 0.205779 0Rh 4py 0.040630 -0.056949 -0.027308 -0.064982 0.101863 -0.057035 0Rh 5pz 0.053382 -0.194794 0.080585 0.069488 0.093579 0.163572 0Rh 5px -0.395557 0.409284 -0.127023 0.057324 -1.007512 -0.349479 0Rh 5py -0.055063 0.105707 0.087052 0.107991 -0.164950 0.083541 0Rh 6pz 0.485477 1.146233 -0.814182 -0.250860 0.130035 -0.446726 0Rh 6px 1.506381 -1.093556 0.708581 -0.169580 1.518718 1.491808 0Rh 6py -0.913120 0.024827 -1.650941 -0.201627 -0.276712 -0.020800 0Rh 1dz2 -0.017044 -0.005390 0.004233 -0.000633 0.007915 -0.019541 0Rh 1dxz -0.010609 0.003924 0.001122 -0.001752 0.014202 -0.017917 0Rh 1dyz 0.000332 0.009574 0.003978 -0.011987 0.000816 -0.005663 0Rh 1dx2y2 -0.001398 -0.013870 0.001727 -0.006569 -0.021073 0.032510 0Rh 1dxy -0.008449 -0.000644 -0.012258 -0.003722 -0.009789 0.008019 0Rh 2dz2 0.003569 0.000997 -0.000888 0.001929 -0.002113 0.005965 0Rh 2dxz 0.001192 -0.000858 -0.001012 -0.000466 -0.000080 0.006495 0Rh 2dyz -0.000658 -0.002842 0.000438 0.006310 0.001206 0.003236 0Rh 2dx2y2 0.000881 0.002928 0.000990 0.002102 0.003666 -0.009490 0Rh 2dxy -0.000069 0.001154 0.002707 0.002797 0.001568 -0.002504 0Rh 3dz2 0.025123 0.008618 -0.006202 -0.007002 -0.010227 0.020943 0Rh 3dxz 0.020182 -0.005546 0.001822 0.006362 -0.033850 0.015042 0Rh 3dyz 0.001945 -0.010426 -0.011370 0.000992 -0.007211 -0.000635 0Rh 3dx2y2 -0.000505 0.020293 -0.008546 0.006516 0.035251 -0.036947 0Rh 3dxy 0.020275 -0.003407 0.017289 -0.003275 0.016888 -0.008441 0Rh 4dz2 0.060437 0.017785 -0.016287 0.031156 -0.027420 0.102357 0Rh 4dxz 0.021376 -0.015008 -0.016705 -0.007136 -0.010436 0.102601 0Rh 4dyz -0.008563 -0.046661 0.003435 0.107477 0.016662 0.055456 0Rh 4dx2y2 0.016078 0.048900 0.015457 0.037244 0.056435 -0.158595 0Rh 4dxy 0.007431 0.015600 0.050088 0.044494 0.026100 -0.040263 0Rh 5dz2 -0.206456 -0.073468 0.079400 -0.204023 0.032622 -0.473508 0Rh 5dxz -0.041441 0.061526 0.091854 0.047048 0.042422 -0.378058 0Rh 5dyz 0.018003 0.174460 -0.013186 -0.645394 -0.074510 -0.338908 0Rh 5dx2y2 -0.090665 -0.144804 -0.103682 -0.197338 -0.134068 0.625775 0Rh 5dxy -0.052339 -0.050908 -0.244969 -0.242600 -0.075275 0.118465 0Rh 1f0 -0.062702 -0.001464 -0.006516 0.051593 -0.009042 0.010244 0Rh 1f+1 -0.037459 -0.082440 0.033265 -0.054081 0.038906 -0.026065 0Rh 1f-1 -0.000076 -0.012935 -0.031654 0.063488 0.062802 -0.000474 0Rh 1f+2 0.024422 -0.049818 -0.037974 0.049904 -0.070909 -0.028648 0Rh 1f-2 0.046724 0.020775 0.009171 -0.135582 -0.020302 -0.056219 0Rh 1f+3 0.044084 -0.050102 -0.049463 0.014277 0.049972 -0.008182 0Rh 1f-3 0.055557 -0.020666 0.113397 0.087329 0.002171 -0.003015 1Rh 1s 0.001284 -0.001256 0.000202 0.000090 -0.000846 -0.003235 1Rh 2s -0.003523 0.002795 -0.000520 -0.000347 0.006383 0.012875 1Rh 3s 0.005373 -0.005659 0.000870 0.000317 -0.001061 -0.011107 1Rh 4s 0.016420 -0.012811 0.002462 0.001698 -0.032044 -0.062332 1Rh 5s -0.000983 -0.007228 -0.000573 -0.001983 0.064053 0.062054 1Rh 6s -0.110358 0.122707 -0.012020 -0.001073 -0.082280 0.142813 1Rh 7s 1.065297 -1.246332 0.077160 -0.065084 1.094770 -0.301860 1Rh 8s -0.143938 0.202548 0.178778 -0.100357 -0.395380 0.569270 1Rh 1pz 0.000309 -0.000233 -0.001504 -0.002020 0.000593 -0.005329 1Rh 1px 0.000065 0.000390 0.004914 -0.000276 -0.021754 0.007463 1Rh 1py -0.001201 0.002652 0.000613 -0.003134 -0.004341 -0.001331 1Rh 2pz -0.000095 0.000180 0.004948 0.006790 -0.001950 0.017468 1Rh 2px -0.002440 0.001275 -0.016928 0.000748 0.071620 -0.023044 1Rh 2py 0.003770 -0.009016 -0.002552 0.010720 0.014540 0.004756 1Rh 3pz -0.020266 0.012859 0.002705 0.000469 -0.002486 0.011473 1Rh 3px 0.047347 -0.055392 0.007188 0.003846 0.039663 -0.045829 1Rh 3py 0.006156 0.001067 0.010242 -0.002674 0.002850 -0.005705 1Rh 4pz 0.083328 -0.051745 -0.041451 -0.042023 0.030674 -0.152304 1Rh 4px -0.176603 0.217525 0.075068 -0.018875 -0.594632 0.321744 1Rh 4py -0.048875 0.051341 -0.027529 -0.055116 -0.100669 -0.004463 1Rh 5pz -0.175147 0.081425 0.087333 0.068764 -0.092533 0.258183 1Rh 5px 0.343552 -0.436808 -0.135344 0.027417 1.011080 -0.552409 1Rh 5py 0.094104 -0.074316 0.087428 0.092570 0.164578 0.000697 1Rh 6pz 1.096659 0.414219 -0.816653 -0.246847 -0.140494 -0.719632 1Rh 6px -0.871518 1.624946 0.733573 -0.113840 -1.543715 1.755314 1Rh 6py -0.093697 -0.915440 -1.664877 -0.215393 0.239430 0.002218 1Rh 1dz2 0.007857 0.015530 -0.004232 0.000487 0.007436 0.016492 1Rh 1dxz -0.001878 0.009637 -0.001441 0.001462 0.013962 0.015791 1Rh 1dyz -0.010630 0.000535 -0.004002 0.012019 0.001088 0.004403 1Rh 1dx2y2 0.014218 -0.001327 -0.001907 0.006914 -0.020248 -0.027933 1Rh 1dxy 0.001463 0.008471 0.012271 0.004262 -0.009226 -0.006278 1Rh 2dz2 -0.001590 -0.003188 0.000898 -0.001886 -0.002036 -0.005544 1Rh 2dxz 0.000540 -0.001073 0.001038 0.000429 0.000074 -0.005940 1Rh 2dyz 0.003020 0.000316 -0.000477 -0.006385 0.001085 -0.002764 1Rh 2dx2y2 -0.003071 -0.000393 -0.000972 -0.002180 0.003373 0.008953 1Rh 2dxy -0.001120 0.000241 -0.002693 -0.002896 0.001385 0.002235 1Rh 3dz2 -0.011928 -0.023158 0.006163 0.007178 -0.009416 -0.015399 1Rh 3dxz 0.002045 -0.018388 -0.001180 -0.005512 -0.033949 -0.012221 1Rh 3dyz 0.012174 -0.002539 0.011590 -0.000738 -0.007330 0.001646 1Rh 3dx2y2 -0.020511 0.004881 0.008894 -0.007017 0.034551 0.028169 1Rh 3dxy 0.001319 -0.021061 -0.017378 0.002400 0.016331 0.005339 1Rh 4dz2 -0.027569 -0.054063 0.016379 -0.030705 -0.025973 -0.094685 1Rh 4dxz 0.009422 -0.018878 0.017364 0.006891 -0.007969 -0.095327 1Rh 4dyz 0.049840 0.003312 -0.003920 -0.108641 0.014495 -0.048309 1Rh 4dx2y2 -0.051386 -0.007658 -0.015066 -0.038329 0.051522 0.149192 1Rh 4dxy -0.015972 -0.005199 -0.049914 -0.046137 0.023034 0.036491 1Rh 5dz2 0.105924 0.182976 -0.079509 0.204641 0.027747 0.444991 1Rh 5dxz -0.045483 0.032092 -0.094687 -0.047128 0.031121 0.366953 1Rh 5dyz -0.185122 0.000053 0.014717 0.650890 -0.059895 0.313032 1Rh 5dx2y2 0.157945 0.064144 0.102463 0.199541 -0.111450 -0.598807 1Rh 5dxy 0.055436 0.044504 0.244445 0.247640 -0.060967 -0.116816 1Rh 1f0 -0.006401 -0.065318 -0.007015 0.051968 0.010481 0.014242 1Rh 1f+1 -0.084397 -0.029796 0.033328 -0.051939 -0.039953 -0.029016 1Rh 1f-1 -0.013826 0.002343 -0.032256 0.067726 -0.060720 0.001286 1Rh 1f+2 -0.047774 0.035103 -0.037246 0.048191 0.073019 -0.013262 1Rh 1f-2 0.026813 0.045554 0.008987 -0.134362 0.018044 -0.043933 1Rh 1f+3 -0.042861 0.047530 -0.049204 0.015996 -0.049999 -0.014273 1Rh 1f-3 -0.012273 0.057488 0.113613 0.088245 0.001454 -0.000325 2C 1s 0.002898 0.001719 -0.005098 -0.011903 -0.010307 -0.010794 2C 2s 0.007144 0.007567 -0.015698 -0.039876 -0.038963 -0.037264 2C 3s -0.043088 -0.112164 0.160564 0.466054 0.569639 0.436628 2C 4s 0.010918 0.338158 -0.369640 -1.217055 -1.898341 -1.136321 2C 5s 0.322018 -1.144263 0.708421 0.357992 0.263358 -0.022718 2C 1pz -0.071213 -0.070785 0.051752 0.030275 0.139168 0.060022 2C 1px 0.042481 -0.193626 0.199719 -0.000712 -0.036624 0.006425 2C 1py 0.096139 0.106899 -0.022921 -0.001458 0.045240 0.013716 2C 2pz 0.109648 0.428271 -0.127043 -0.220258 -1.106755 -0.341395 2C 2px -0.184769 0.711185 -0.650902 -0.137578 -0.012285 -0.189317 2C 2py -0.449129 -0.280281 0.090080 -0.100917 -0.579109 -0.179107 2C 3pz 0.017997 -0.345601 0.070123 -0.038769 0.017546 -0.082214 2C 3px 0.041232 -0.406638 0.330982 -0.113770 -0.177279 -0.068630 2C 3py 0.172465 0.065740 -0.010251 -0.066797 -0.068843 -0.092773 2C 1dz2 -0.000933 -0.018535 -0.005376 -0.006848 0.007148 -0.007230 2C 1dxz -0.004347 -0.027388 0.010998 0.023884 0.016754 0.023178 2C 1dyz 0.009517 0.007731 -0.011362 0.002696 0.016612 0.001070 2C 1dx2y2 -0.018910 0.000101 -0.012603 -0.001951 -0.001769 0.000528 2C 1dxy 0.013232 0.011855 -0.008927 0.012891 0.005364 0.014128 2C 2dz2 -0.081975 0.085187 -0.010601 -0.049082 -0.313508 -0.066100 2C 2dxz -0.052385 -0.184676 0.171688 -0.048522 -0.187262 -0.098326 2C 2dyz -0.141228 0.247896 -0.158207 -0.107604 -0.437955 -0.155584 2C 2dx2y2 -0.091935 0.037110 -0.082335 0.022118 0.189121 0.045114 2C 2dxy 0.106986 0.164263 -0.067668 -0.071917 -0.135108 -0.101375 2C 1f0 -0.027589 -0.016944 -0.013765 -0.010374 0.002346 -0.003799 2C 1f+1 0.000303 0.010898 -0.017362 -0.000435 -0.003940 -0.007577 2C 1f-1 0.014695 -0.008552 0.011046 -0.013879 -0.018869 -0.008629 2C 1f+2 -0.006082 -0.023314 0.011933 0.015865 0.005443 0.012160 2C 1f-2 0.000342 -0.021741 0.017240 0.000777 0.001525 0.001145 2C 1f+3 -0.014978 -0.012059 0.011625 0.014920 0.005758 0.005341 2C 1f-3 0.003020 0.032966 -0.016536 -0.007315 0.001647 -0.007501 3C 1s 0.004084 -0.000484 0.005113 0.008225 -0.008544 -0.002064 3C 2s 0.010009 0.001317 0.016328 0.028691 -0.033670 -0.007784 3C 3s -0.069133 -0.043772 -0.152568 -0.348625 0.490472 0.083123 3C 4s -0.011839 0.273959 0.296005 0.931387 -1.664358 -0.176036 3C 5s -1.147075 0.691176 -0.734858 0.259986 -0.613900 -0.325470 3C 1pz 0.017809 0.007738 0.190449 -0.037945 0.110603 0.005881 3C 1px -0.128291 -0.150475 -0.101523 0.036463 0.044376 -0.002047 3C 1py -0.052004 0.089948 0.104252 0.036618 -0.114001 -0.017866 3C 2pz -0.226208 0.129005 -0.707530 0.175410 -0.743776 -0.033474 3C 2px 0.350320 0.656104 0.394312 0.051588 -0.410537 0.035184 3C 2py 0.459123 -0.528976 -0.372567 -0.264467 0.977597 0.103313 3C 3pz -0.085524 0.243497 0.377843 0.000184 -0.039465 -0.053525 3C 3px -0.235947 -0.098875 -0.231557 0.206254 -0.143835 0.026690 3C 3py 0.108652 -0.050768 0.329969 -0.142931 0.230960 0.110499 3C 1dz2 -0.000813 -0.000059 0.009754 0.008788 -0.006017 -0.002719 3C 1dxz -0.012875 -0.023592 -0.003578 -0.009137 0.016777 0.001187 3C 1dyz -0.010318 -0.008521 -0.031874 -0.004202 -0.008396 0.001855 3C 1dx2y2 -0.013367 0.004925 0.021626 -0.010071 -0.003814 0.002838 3C 1dxy -0.010486 0.008568 0.012657 0.023684 -0.016474 -0.008654 3C 2dz2 0.066722 -0.055054 -0.098677 -0.052978 0.089812 0.009943 3C 2dxz -0.236684 -0.044208 -0.065379 0.106132 -0.157118 -0.011191 3C 2dyz 0.047012 -0.286376 -0.230857 -0.059503 0.368650 0.045810 3C 2dx2y2 0.084779 -0.139693 0.125208 -0.051957 0.341979 0.032849 3C 2dxy 0.089946 -0.166269 0.050700 -0.115832 0.319894 -0.014146 3C 1f0 -0.001226 0.003792 0.024879 -0.000875 0.011361 -0.002933 3C 1f+1 0.013012 0.012533 0.035824 0.000697 0.003313 0.002674 3C 1f-1 0.015275 -0.001021 -0.034910 -0.005852 -0.000287 0.004259 3C 1f+2 -0.006375 0.026796 0.003967 -0.018503 -0.001016 0.003633 3C 1f-2 -0.016654 0.010349 -0.013866 0.002182 -0.005354 -0.003243 3C 1f+3 -0.008679 -0.017143 0.003226 0.004013 0.006467 0.001154 3C 1f-3 -0.021532 -0.018097 -0.008355 -0.005413 0.007207 0.004606 4C 1s 0.001063 0.001089 -0.003704 0.005484 0.002371 0.005710 4C 2s 0.001140 0.003419 -0.009395 0.018145 0.006556 0.018970 4C 3s 0.029520 0.037784 -0.031243 -0.332366 -0.275972 -0.390470 4C 4s -0.501088 0.035500 0.393410 1.128461 1.136779 1.532051 4C 5s 0.188326 0.533020 -0.993907 -0.100901 0.501269 0.201589 4C 1pz -0.043720 0.048668 -0.045776 0.020387 0.069183 0.050879 4C 1px -0.004765 0.003839 -0.012942 -0.033558 -0.086990 -0.070157 4C 1py -0.041328 -0.032580 0.010998 0.022312 0.018071 0.009971 4C 2pz -0.133004 0.099766 0.123225 -0.374116 -1.250681 -0.211372 4C 2px -0.281747 0.220155 -0.018472 0.734109 0.799873 0.075850 4C 2py -0.115846 0.327415 0.017140 0.011684 -0.472865 -0.123879 4C 3pz 0.530271 -1.008396 0.066479 -0.547885 -0.017099 -0.504660 4C 3px -0.063434 0.041662 -0.019553 0.946515 0.328551 0.482632 4C 3py 0.343598 -0.684484 0.070934 0.029515 0.158517 -0.120825 4C 1dz2 0.025545 0.012526 -0.003207 0.002380 0.005114 -0.009427 4C 1dxz 0.017296 0.001557 -0.002568 -0.000441 0.020451 0.007344 4C 1dyz 0.006343 -0.021375 -0.015820 0.003477 0.017251 0.004351 4C 1dx2y2 -0.002539 0.012518 0.021796 0.006143 -0.003222 0.007202 4C 1dxy -0.001172 0.005643 -0.000631 0.003385 -0.001244 0.007915 4C 2dz2 0.105825 -0.080875 0.067532 0.047705 0.168988 0.140793 4C 2dxz 0.052125 0.115015 -0.029280 -0.071224 0.353393 -0.254451 4C 2dyz 0.150533 -0.209286 0.076352 0.128627 0.423097 0.139677 4C 2dx2y2 0.056340 0.058129 0.002379 0.076638 -0.162124 0.077204 4C 2dxy -0.133838 -0.077422 0.053027 0.045127 0.268740 -0.045201 4C 1f0 -0.003799 -0.001957 -0.016536 0.004188 0.001513 -0.008128 4C 1f+1 -0.011518 -0.011510 -0.015953 -0.014252 -0.016106 -0.015436 4C 1f-1 -0.005902 0.013038 -0.024667 -0.029380 -0.046843 -0.022977 4C 1f+2 -0.001364 -0.021409 0.017347 -0.007747 0.004944 0.018082 4C 1f-2 0.008167 0.014406 -0.005525 -0.003404 -0.015900 -0.008103 4C 1f+3 0.009748 -0.007390 -0.011128 -0.022963 -0.021022 -0.003221 4C 1f-3 0.023567 0.010196 0.006386 -0.030253 -0.015981 -0.008944 5C 1s -0.000470 0.007150 0.003785 -0.002109 -0.002782 -0.001906 5C 2s -0.004340 0.022989 0.010272 -0.007082 -0.010281 -0.005629 5C 3s 0.180178 -0.238000 -0.066688 0.237047 -0.109844 -0.023211 5C 4s -1.023456 0.813598 0.192313 -1.044078 0.789793 0.315776 5C 5s 0.362049 0.538315 1.093304 -0.401859 0.511645 0.260626 5C 1pz 0.001149 0.034004 -0.049079 -0.012092 0.034678 0.079965 5C 1px -0.013163 0.037643 -0.028971 0.031823 -0.079330 -0.111633 5C 1py 0.032169 -0.070038 -0.019844 0.052911 -0.034316 -0.022838 5C 2pz -0.351119 0.251080 0.146303 0.317853 -0.754987 -0.365282 5C 2px 0.004845 0.108194 0.247054 -0.709877 0.462072 0.891534 5C 2py 0.429604 -0.389428 0.033478 -0.336826 1.015486 0.166380 5C 3pz -0.371639 0.278841 -0.218453 0.579884 -0.450642 -0.141717 5C 3px -0.015885 -0.030640 -0.151499 -0.987702 0.195259 -0.151897 5C 3py 0.555454 -0.595760 0.208518 -0.595018 0.659256 0.235906 5C 1dz2 0.015890 0.001830 -0.019957 -0.001091 -0.004963 -0.004711 5C 1dxz 0.008517 -0.000351 -0.008801 0.000993 0.015607 0.003645 5C 1dyz -0.012025 -0.003760 0.012824 0.003639 -0.003589 0.005678 5C 1dx2y2 -0.017487 0.007100 -0.022786 -0.000221 -0.012013 0.000828 5C 1dxy -0.020842 0.002937 -0.010060 0.004372 -0.012017 -0.010778 5C 2dz2 0.031052 -0.157217 -0.112392 0.053700 -0.049322 -0.165361 5C 2dxz 0.307748 -0.073092 0.038201 0.054307 0.226944 0.145632 5C 2dyz -0.064847 0.246850 0.205930 0.156899 -0.307907 0.117802 5C 2dx2y2 -0.248980 0.460476 0.072185 0.011516 -0.326490 0.241956 5C 2dxy -0.120766 0.173427 -0.149808 -0.037729 -0.445484 -0.291025 5C 1f0 0.011105 -0.018541 0.001349 -0.026049 0.034400 0.008788 5C 1f+1 -0.007476 -0.018469 0.015050 0.024729 -0.008450 -0.015288 5C 1f-1 -0.003636 -0.006120 -0.012952 -0.004885 0.003781 0.002049 5C 1f+2 -0.007508 -0.023426 -0.028014 0.003803 0.023791 -0.001086 5C 1f-2 -0.008178 -0.000909 -0.007605 0.006770 0.014524 -0.003210 5C 1f+3 0.014198 0.013547 -0.006197 0.036284 -0.035376 -0.012440 5C 1f-3 -0.021891 -0.000913 0.014691 -0.007477 0.005852 0.001914 6C 1s -0.006995 0.000834 -0.003672 0.002352 -0.002915 0.001930 6C 2s -0.022142 0.005497 -0.009900 0.007915 -0.010676 0.006030 6C 3s 0.217009 -0.184286 0.063938 -0.240148 -0.117748 0.048483 6C 4s -0.686496 1.041686 -0.183994 1.039916 0.842884 -0.434767 6C 5s -0.578445 -0.305013 -1.089155 0.387681 0.536595 -0.393760 6C 1pz 0.036764 -0.004494 -0.047799 -0.012700 -0.034458 0.072844 6C 1px 0.036044 -0.017154 -0.029523 0.029792 0.080261 -0.086644 6C 1py -0.060136 0.036963 -0.019237 0.053756 0.036282 -0.021093 6C 2pz 0.198900 -0.370933 0.135933 0.301796 0.760646 -0.379656 6C 2px 0.113296 -0.000975 0.254088 -0.702506 -0.466973 0.546483 6C 2py -0.341285 0.464878 0.042039 -0.312717 -1.025597 0.291834 6C 3pz 0.250733 -0.360711 -0.220277 0.568494 0.477568 -0.052615 6C 3px -0.006598 0.028582 -0.141204 -0.972376 -0.210303 -0.196640 6C 3py -0.548803 0.547774 0.211154 -0.581625 -0.696302 0.132940 6C 1dz2 -0.003656 -0.015757 0.019979 0.001170 -0.004610 0.004193 6C 1dxz -0.000113 -0.009322 0.008870 -0.001484 0.015865 -0.004980 6C 1dyz 0.005162 0.012618 -0.012803 -0.003626 -0.003751 -0.003465 6C 1dx2y2 -0.004291 0.017710 0.023065 0.000771 -0.011673 0.003396 6C 1dxy 0.000249 0.020452 0.010326 -0.004258 -0.012291 0.013018 6C 2dz2 0.160387 -0.050092 0.112950 -0.056035 -0.050071 0.143311 6C 2dxz 0.032832 -0.292134 -0.041667 -0.056817 0.221370 -0.130647 6C 2dyz -0.229525 0.098334 -0.202837 -0.145939 -0.322082 -0.014252 6C 2dx2y2 -0.431740 0.287778 -0.069465 0.002092 -0.331811 -0.130009 6C 2dxy -0.164322 0.136453 0.153338 0.047303 -0.437985 0.273432 6C 1f0 -0.015762 0.011778 0.001831 -0.024982 -0.035205 0.009234 6C 1f+1 -0.019571 -0.005946 0.015004 0.024519 0.009340 -0.010622 6C 1f-1 -0.006709 -0.001911 -0.012924 -0.004719 -0.004214 0.001930 6C 1f+2 -0.024239 -0.003958 -0.027973 0.004675 -0.024608 0.007251 6C 1f-2 -0.001431 -0.008247 -0.007721 0.006974 -0.015237 0.003418 6C 1f+3 0.014703 0.011306 -0.006576 0.035322 0.036716 -0.013202 6C 1f-3 -0.002763 -0.021256 0.014632 -0.007321 -0.006459 0.003615 7C 1s -0.000612 -0.001015 0.003713 -0.005684 0.002372 -0.004003 7C 2s -0.001644 -0.000946 0.009435 -0.018745 0.006564 -0.013089 7C 3s -0.063595 -0.028038 0.029733 0.347060 -0.270836 0.367532 7C 4s 0.090146 0.518212 -0.383328 -1.179572 1.112274 -1.563332 7C 5s -0.519852 -0.128347 1.002726 0.088475 0.507858 -0.302943 7C 1pz 0.043403 -0.049865 -0.043988 0.023422 -0.071004 0.044913 7C 1px 0.003888 -0.005001 -0.012036 -0.037813 0.084924 -0.061647 7C 1py -0.038607 -0.033960 0.009517 0.022194 -0.018678 0.006988 7C 2pz 0.056471 -0.159612 0.108588 -0.420216 1.245063 -0.334097 7C 2px 0.173153 -0.308739 -0.021161 0.777768 -0.764794 -0.056817 7C 2py 0.292105 -0.169757 0.012939 0.000510 0.484704 -0.241852 7C 3pz -1.006311 0.631287 0.073541 -0.553419 -0.009221 -0.646094 7C 3px 0.019530 -0.079136 -0.013518 0.953425 -0.305545 0.347595 7C 3py -0.682033 0.410946 0.074949 0.028481 -0.165040 -0.248801 7C 1dz2 -0.015088 -0.024190 0.003073 -0.002549 0.004616 0.006359 7C 1dxz -0.003388 -0.017718 0.002400 -0.000411 0.020299 -0.009422 7C 1dyz 0.020534 -0.009259 0.015557 -0.004276 0.017556 -0.005361 7C 1dx2y2 -0.011555 0.003806 -0.021871 -0.005884 -0.003795 -0.002825 7C 1dxy -0.005474 0.002398 0.000867 -0.003704 -0.000953 -0.009010 7C 2dz2 0.054586 -0.122803 -0.073293 -0.048667 0.170176 -0.225375 7C 2dxz -0.135288 -0.044865 0.028782 0.053959 0.345166 0.213647 7C 2dyz 0.173714 -0.171520 -0.080408 -0.144460 0.421505 -0.234610 7C 2dx2y2 -0.047732 -0.033587 0.001307 -0.074759 -0.165703 -0.020136 7C 2dxy 0.107348 0.118172 -0.049558 -0.057990 0.259899 0.070357 7C 1f0 -0.001464 -0.003867 -0.016341 0.004496 -0.001963 -0.009904 7C 1f+1 -0.012150 -0.009350 -0.015568 -0.015149 0.015306 -0.016844 7C 1f-1 0.010739 -0.006601 -0.025041 -0.031083 0.045804 -0.030441 7C 1f+2 -0.021710 0.000796 0.017345 -0.007417 -0.005502 0.024215 7C 1f-2 0.014819 0.005933 -0.005395 -0.003850 0.015484 -0.012385 7C 1f+3 -0.005623 0.009463 -0.011124 -0.023778 0.020135 -0.002113 7C 1f-3 0.013725 0.022694 0.006461 -0.031002 0.014977 -0.006637 8C 1s 0.000027 -0.003877 -0.005038 -0.008158 -0.008936 0.002660 8C 2s -0.002311 -0.009067 -0.016026 -0.028290 -0.035097 0.010826 8C 3s 0.048976 0.054579 0.148861 0.341721 0.507492 -0.143995 8C 4s -0.266295 0.064458 -0.285068 -0.904371 -1.708684 0.419377 8C 5s -0.578946 1.118756 0.734666 -0.239163 -0.646660 0.288036 8C 1pz -0.000881 0.016355 0.187400 -0.034389 -0.112936 0.022941 8C 1px -0.170007 -0.103972 -0.105271 0.039675 -0.043765 0.009275 8C 1py 0.073650 -0.055893 0.099570 0.032821 0.117519 -0.038405 8C 2pz 0.137206 -0.233645 -0.700052 0.154692 0.753599 -0.161509 8C 2px 0.708822 0.248171 0.404732 0.033180 0.417636 -0.054010 8C 2py -0.437740 0.495836 -0.352256 -0.237840 -0.997922 0.285143 8C 3pz 0.219326 -0.099844 0.371724 -0.000397 0.045967 -0.039382 8C 3px -0.133816 -0.214395 -0.239469 0.205292 0.151098 0.023003 8C 3py -0.054323 0.097351 0.323638 -0.137537 -0.241699 0.103949 8C 1dz2 -0.000182 0.001905 -0.009769 -0.008629 -0.006547 0.002926 8C 1dxz 0.025620 0.008955 0.003510 0.008377 0.017268 -0.002457 8C 1dyz 0.009266 0.009009 0.031779 0.004253 -0.007910 0.001686 8C 1dx2y2 -0.002518 0.013657 -0.021271 0.010054 -0.003561 -0.000057 8C 1dxy -0.006379 0.011370 -0.012472 -0.023201 -0.017607 0.008710 8C 2dz2 0.041824 -0.068423 0.097229 0.049605 0.093361 -0.028520 8C 2dxz 0.083062 0.216298 0.068388 -0.102655 -0.162102 0.039650 8C 2dyz 0.268276 -0.078611 0.225620 0.048349 0.374680 -0.118881 8C 2dx2y2 0.138522 -0.102161 -0.123607 0.042622 0.345118 -0.094970 8C 2dxy 0.157537 -0.109028 -0.053938 0.105979 0.328028 -0.049029 8C 1f0 0.001864 -0.000861 0.024579 -0.000589 -0.011344 -0.000199 8C 1f+1 0.013995 0.009819 0.035686 0.000448 -0.002877 0.001961 8C 1f-1 0.001969 0.014858 -0.034475 -0.005834 -0.000234 0.003013 8C 1f+2 0.025531 -0.008432 0.003611 -0.019311 0.000889 0.000553 8C 1f-2 0.008100 -0.016242 -0.013834 0.001457 0.005530 -0.002447 8C 1f+3 -0.019172 -0.005746 0.002974 0.004545 -0.006334 0.000375 8C 1f-3 -0.020390 -0.018704 -0.008390 -0.005010 -0.007249 0.004786 9C 1s -0.002006 -0.002719 0.005175 0.012411 -0.010119 0.011388 9C 2s -0.008075 -0.006305 0.015985 0.041722 -0.038330 0.040414 9C 3s 0.114063 0.029473 -0.164342 -0.491484 0.562509 -0.492653 9C 4s -0.327282 0.037983 0.382323 1.297030 -1.880221 1.361836 9C 5s 1.187807 -0.433582 -0.717387 -0.372070 0.265857 0.257593 9C 1pz -0.074852 -0.055979 0.048422 0.032481 -0.137923 0.082779 9C 1px -0.183901 0.051539 0.202345 -0.001389 0.037414 0.014002 9C 1py 0.122074 0.078506 -0.016430 0.001503 -0.045357 0.042731 9C 2pz 0.412604 0.028777 -0.121153 -0.249845 1.100597 -0.530197 9C 2px 0.671432 -0.220354 -0.662428 -0.139818 0.009270 -0.229665 9C 2py -0.353776 -0.405223 0.064096 -0.127459 0.580435 -0.360087 9C 3pz -0.354504 0.061752 0.065636 -0.040955 -0.023900 -0.144388 9C 3px -0.390486 0.070728 0.334009 -0.119708 0.173759 -0.068354 9C 3py 0.067286 0.159005 0.001894 -0.069439 0.068902 -0.117451 9C 1dz2 0.017951 -0.001237 0.005614 0.006634 0.007273 0.004868 9C 1dxz 0.027558 0.001487 -0.011400 -0.024457 0.016479 -0.022925 9C 1dyz -0.007858 -0.009363 0.011302 -0.003361 0.016603 -0.003639 9C 1dx2y2 0.003194 0.018157 0.012913 0.002390 -0.001691 0.002676 9C 1dxy -0.013844 -0.010537 0.008768 -0.013447 0.005605 -0.015140 9C 2dz2 -0.066333 0.090631 0.014812 0.059022 -0.309115 0.127329 9C 2dxz 0.198660 0.038277 -0.171384 0.053951 -0.187702 0.138190 9C 2dyz -0.212598 0.167859 0.161440 0.123093 -0.437991 0.251632 9C 2dx2y2 -0.018792 0.079902 0.082021 -0.027325 0.191546 -0.070853 9C 2dxy -0.179171 -0.073902 0.067379 0.073426 -0.132621 0.109318 9C 1f0 -0.020414 -0.023840 -0.014484 -0.011010 -0.002701 -0.004606 9C 1f+1 0.011697 -0.001532 -0.017603 -0.000384 0.003544 -0.006121 9C 1f-1 -0.005371 0.014344 0.010855 -0.014406 0.018812 -0.005651 9C 1f+2 -0.023690 -0.004930 0.011639 0.016861 -0.005663 0.008643 9C 1f-2 -0.020692 0.002596 0.017506 0.000648 -0.000975 0.002329 9C 1f+3 -0.015898 -0.013046 0.011694 0.014964 -0.005132 0.000746 9C 1f-3 0.032330 0.000110 -0.016565 -0.006780 -0.001728 -0.006944 10H 1s -0.023628 0.052219 -0.050413 -0.021716 0.017410 -0.024661 10H 2s 0.152884 -0.467951 0.509183 0.192259 -0.205220 0.107223 10H 3s -0.057443 0.403962 -0.484693 -0.208955 0.100961 -0.095708 10H 1pz 0.029739 0.044153 0.026157 -0.098745 -0.114304 -0.089844 10H 1px -0.009173 0.097664 -0.082320 -0.066862 -0.026104 -0.066684 10H 1py -0.045973 -0.013347 -0.030046 -0.038066 -0.076602 -0.060234 11H 1s -0.034034 -0.097319 0.053648 0.022594 0.026384 0.035946 11H 2s 0.157588 0.744555 -0.467120 0.051487 -0.036448 -0.015605 11H 3s -0.127670 -0.489182 0.221994 -0.088602 -0.087917 -0.037246 11H 1pz -0.052224 0.004783 -0.034395 0.007491 -0.065636 -0.015557 11H 1px 0.011808 0.063645 -0.048068 -0.035712 -0.025785 -0.047337 11H 1py -0.088798 -0.132723 -0.000879 -0.046947 -0.087052 -0.054861 12H 1s 0.057441 0.023919 0.016302 0.007824 -0.001922 0.025623 12H 2s -0.504291 -0.115230 -0.069175 0.161492 0.117232 0.100042 12H 3s 0.248663 0.162680 -0.015446 -0.114732 -0.166782 -0.083913 12H 1pz 0.097285 0.108689 0.039325 -0.017023 -0.068548 -0.020801 12H 1px -0.013895 0.049449 -0.010613 0.028951 0.011493 -0.002752 12H 1py -0.043728 -0.006564 -0.001077 0.005797 -0.023754 -0.005806 13H 1s 0.047083 0.037820 0.064287 -0.001429 0.011040 -0.001131 13H 2s -0.514618 -0.223766 -0.587672 0.024882 -0.160059 -0.015979 13H 3s 0.377476 0.212677 0.544784 0.020441 0.058390 0.001410 13H 1pz -0.027646 0.008246 -0.083966 0.013456 -0.055645 -0.015988 13H 1px 0.067675 0.047803 0.074636 0.033182 -0.040248 -0.030430 13H 1py 0.043780 -0.042540 -0.097546 -0.118689 0.114152 0.041092 14H 1s -0.041484 -0.060116 0.012505 -0.010286 0.047669 0.006434 14H 2s 0.304274 0.452818 -0.111839 -0.151494 -0.212830 0.042088 14H 3s -0.077469 -0.226733 0.162453 0.038675 0.092210 0.016864 14H 1pz -0.018631 0.026774 -0.035538 0.028622 -0.050729 0.011247 14H 1px 0.025080 0.047204 0.014973 -0.042223 -0.023656 -0.008548 14H 1py 0.072635 0.039385 -0.120650 0.023898 0.037420 -0.005009 15H 1s 0.019002 -0.039195 -0.105264 -0.011319 0.013110 0.015645 15H 2s -0.090264 0.305774 0.690753 -0.094535 0.032134 -0.037203 15H 3s 0.162879 -0.301792 -0.558699 0.092515 -0.084966 0.007997 15H 1pz 0.028843 0.007514 -0.185973 0.029901 -0.072084 0.010029 15H 1px -0.004070 0.042625 -0.028809 0.099685 -0.060250 -0.030800 15H 1py 0.003092 -0.058532 0.017954 0.004929 0.060519 -0.001512 16H 1s 0.212362 -0.105167 -0.038490 0.037486 -0.147743 0.211004 16H 2s -1.312045 0.559554 0.363776 -0.264588 0.567240 -0.682705 16H 3s 0.231955 0.012159 -0.079484 0.076633 -0.214367 0.003133 16H 1pz -0.123180 0.056691 0.016357 -0.079015 0.207325 -0.027763 16H 1px -0.045874 0.011742 0.156136 -0.099851 0.197656 0.014232 16H 1py -0.122168 0.049892 0.044113 0.138420 -0.111577 -0.333143 17H 1s 0.044000 -0.122827 0.047163 -0.071448 -0.090550 0.246580 17H 2s -0.109428 0.746139 -0.200051 0.374276 0.414791 -0.781607 17H 3s -0.100737 -0.076740 0.111120 -0.111414 -0.000872 0.179019 17H 1pz 0.011766 -0.104729 -0.017261 -0.182201 0.181122 0.335502 17H 1px 0.069887 0.043069 0.106424 0.027888 -0.080941 -0.036130 17H 1py 0.035686 0.109599 0.013351 -0.084234 0.213390 -0.091047 18H 1s 0.110126 -0.069286 -0.051178 0.072925 -0.081063 -0.213034 18H 2s -0.689545 0.269482 0.228696 -0.379408 0.370619 0.662041 18H 3s 0.081345 0.073754 -0.119285 0.110668 0.006820 -0.116414 18H 1pz -0.103137 0.029796 -0.008789 -0.171921 -0.192334 0.241526 18H 1px 0.050649 0.070517 0.104727 0.025265 0.088329 -0.030850 18H 1py 0.103995 0.022451 0.014595 -0.081512 -0.217131 -0.124036 19H 1s 0.081200 -0.219239 0.040179 -0.033313 -0.143509 -0.194081 19H 2s -0.425902 1.353823 -0.371785 0.249703 0.549986 0.592633 19H 3s -0.033495 -0.216216 0.087349 -0.068458 -0.218645 -0.022327 19H 1pz 0.039372 -0.119346 0.020154 -0.074035 -0.214190 -0.053466 19H 1px 0.008665 -0.046177 0.160414 -0.092477 -0.198957 -0.038122 19H 1py 0.041898 -0.131739 0.043282 0.128891 0.119088 -0.254203 20H 1s 0.031796 -0.022061 0.103464 0.010726 0.014978 -0.016234 20H 2s -0.251581 0.111681 -0.677806 0.098551 0.030583 0.047417 20H 3s 0.257888 -0.183910 0.549411 -0.093149 -0.084233 0.003001 20H 1pz 0.014799 0.027526 -0.184632 0.029023 0.072302 -0.006207 20H 1px 0.040154 -0.007207 -0.029270 0.096400 0.062846 -0.028988 20H 1py -0.054981 0.008284 0.019324 0.006950 -0.060696 0.017411 21H 1s 0.068297 0.031815 -0.011558 0.007752 0.048954 -0.012388 21H 2s -0.522028 -0.228332 0.099789 0.166216 -0.209967 0.009559 21H 3s 0.258647 0.046660 -0.153726 -0.047327 0.091331 -0.024625 21H 1pz 0.025019 -0.021239 -0.035416 0.025860 0.051289 -0.000055 21H 1px 0.053804 0.017694 0.017062 -0.042943 0.023178 -0.015788 21H 1py 0.050460 0.067403 -0.119868 0.022823 -0.038720 0.012060 22H 1s -0.042893 -0.038781 -0.064544 0.001511 0.010895 -0.000735 22H 2s 0.282065 0.453874 0.591055 -0.020008 -0.161255 0.046939 22H 3s -0.252417 -0.333198 -0.545542 -0.020615 0.056258 -0.031072 22H 1pz 0.006090 -0.025634 -0.083975 0.012904 0.056745 -0.023968 22H 1px 0.056057 0.057972 0.075240 0.033280 0.042190 -0.030858 22H 1py -0.036261 0.050203 -0.095033 -0.115092 -0.119594 0.044063 23H 1s -0.034307 -0.050461 -0.018721 -0.009105 -0.001682 -0.037261 23H 2s 0.201491 0.450751 0.085520 -0.159435 0.114119 -0.015818 23H 3s -0.208160 -0.210279 0.003574 0.119741 -0.166427 0.041812 23H 1pz 0.119970 0.078938 0.041168 -0.020737 0.070797 -0.034410 23H 1px 0.044778 -0.015233 -0.011081 0.025999 -0.008863 -0.009432 23H 1py -0.013571 -0.041030 -0.003001 0.005458 0.023541 -0.020623 24H 1s 0.098911 0.022798 -0.053202 -0.022644 0.025743 -0.036924 24H 2s -0.753912 -0.071604 0.461676 -0.058704 -0.033424 0.024756 24H 3s 0.482970 0.072279 -0.217185 0.096179 -0.085118 0.036399 24H 1pz -0.003399 -0.052723 -0.034157 0.005112 0.065106 -0.033212 24H 1px 0.065091 0.005639 -0.048349 -0.032783 0.023262 -0.041671 24H 1py -0.141388 -0.073461 -0.003031 -0.048754 0.084574 -0.064751 25H 1s -0.048854 0.025207 0.051564 0.022102 0.017027 0.020368 25H 2s 0.446846 -0.160621 -0.517123 -0.194154 -0.207852 -0.062732 25H 3s -0.389885 0.074901 0.490528 0.210382 0.107130 0.072441 25H 1pz 0.043380 0.022819 0.025927 -0.101385 0.113348 -0.097179 25H 1px 0.094772 -0.013116 -0.083476 -0.068806 0.025302 -0.062115 25H 1py -0.019735 -0.042970 -0.032684 -0.043472 0.076522 -0.068038 26O 1s -0.000876 0.000753 -0.002349 0.002383 0.002845 0.000942 26O 2s -0.001521 0.000558 -0.005492 0.005575 0.005839 0.002927 26O 3s -0.011867 0.021977 0.003022 0.016104 0.025027 -0.002948 26O 4s 0.060850 -0.138520 0.174608 -0.177598 -0.203685 -0.046066 26O 5s 0.282227 0.297877 -0.731688 -0.935914 -0.736017 -0.325199 26O 1pz 0.002136 -0.026936 0.005121 -0.022143 0.004947 0.023769 26O 1px -0.010237 -0.019871 0.019809 0.047291 0.045689 0.007711 26O 1py 0.008973 0.002933 -0.002505 0.019565 0.011281 0.004778 26O 2pz -0.000695 -0.039486 0.055850 0.000251 -0.013685 0.020258 26O 2px -0.014202 -0.040400 0.087266 0.154791 0.209691 0.086633 26O 2py -0.010655 -0.039137 0.060750 0.054267 0.062176 0.042697 26O 3pz -0.269467 0.388264 -0.524486 0.683513 0.073382 0.485087 26O 3px -0.559578 0.517242 -0.332322 0.319826 -0.001147 -0.030612 26O 3py -0.043699 0.522408 -0.279143 0.518348 0.116908 0.345671 26O 1dz2 0.001481 -0.001904 0.000148 -0.002049 0.001139 -0.001817 26O 1dxz -0.004571 0.001909 0.000060 0.002267 -0.000736 0.000109 26O 1dyz -0.001587 0.000069 0.000722 -0.000047 0.002515 -0.001804 26O 1dx2y2 -0.003023 0.000300 -0.000610 0.001648 0.001169 0.001262 26O 1dxy -0.002226 0.002960 0.001793 0.002954 0.001068 0.000728 26O 2dz2 -0.265524 -0.160241 -0.121277 0.147290 0.060076 0.010118 26O 2dxz -0.025065 -0.066754 0.005762 -0.212634 -0.176234 -0.169142 26O 2dyz 0.132386 0.116187 0.058797 0.062380 0.021334 0.040247 26O 2dx2y2 -0.053398 -0.067087 -0.142304 0.025564 -0.058524 0.054677 26O 2dxy -0.091114 -0.086811 0.028340 -0.127985 -0.118442 -0.039930 26O 1f0 -0.001568 0.000642 -0.000996 -0.001687 -0.004742 -0.003520 26O 1f+1 0.002605 0.000343 -0.001871 -0.008296 -0.006676 -0.007486 26O 1f-1 0.002080 -0.000676 -0.001060 -0.001505 -0.000839 0.002002 26O 1f+2 0.002528 -0.000355 -0.001376 0.003259 0.003319 0.003604 26O 1f-2 0.000591 -0.001395 0.000281 -0.000367 0.003045 0.001240 26O 1f+3 -0.000509 -0.001825 -0.002087 -0.002409 -0.002137 -0.000426 26O 1f-3 -0.000404 0.000179 -0.001911 -0.008563 -0.008916 -0.007831 27O 1s 0.002333 0.002588 0.001698 -0.001837 0.003515 -0.000617 27O 2s 0.005659 0.005736 0.002755 -0.003854 0.007849 -0.004348 27O 3s -0.009463 0.014169 0.028507 -0.023791 0.010943 0.074957 27O 4s -0.131128 -0.260737 -0.263737 0.183903 -0.167306 -0.363390 27O 5s 1.189607 -0.358956 0.234015 0.827486 -0.086855 -0.457015 27O 1pz -0.025586 -0.011286 -0.012404 0.008292 0.004469 0.012493 27O 1px -0.004466 -0.009607 -0.014785 -0.058157 0.043469 0.030623 27O 1py -0.004379 -0.005275 0.018814 -0.011518 0.011478 -0.023043 27O 2pz -0.032505 0.006920 -0.030660 0.027034 -0.039159 -0.004619 27O 2px -0.091626 0.081143 0.056978 -0.121878 0.121517 0.299297 27O 2py 0.077944 -0.021246 0.024917 0.005243 0.025303 -0.076518 27O 3pz 0.123611 -0.062121 0.293844 -0.450226 0.128015 -0.022521 27O 3px -0.321700 0.653956 0.328772 -0.573229 -0.079921 0.100005 27O 3py -0.261093 -0.396767 -0.198693 0.920528 -0.177382 0.001284 27O 1dz2 0.001475 -0.001531 -0.001161 0.001543 -0.000407 -0.001743 27O 1dxz -0.002264 0.000515 0.001249 -0.000270 -0.000124 -0.001143 27O 1dyz 0.000144 0.002104 0.000791 -0.001125 -0.003838 0.002219 27O 1dx2y2 -0.002144 0.001291 0.001490 -0.003992 -0.000154 0.003546 27O 1dxy 0.003947 -0.004274 0.001602 0.002843 0.000325 0.000961 27O 2dz2 -0.167294 -0.158160 0.230043 -0.052517 0.074731 0.046275 27O 2dxz 0.004928 0.010788 0.063377 0.145339 -0.088159 -0.027884 27O 2dyz 0.026614 0.020259 -0.136841 0.167545 -0.030877 0.020498 27O 2dx2y2 -0.047598 -0.085230 0.145772 0.114484 -0.114667 -0.061623 27O 2dxy 0.116302 0.090980 0.056156 -0.227012 0.104243 0.107717 27O 1f0 -0.001596 -0.000175 0.000970 0.001789 -0.001786 -0.002268 27O 1f+1 0.002653 0.002063 -0.000071 0.006670 -0.006967 -0.007490 27O 1f-1 -0.000725 -0.001148 -0.001274 -0.000570 0.002565 0.000612 27O 1f+2 0.000390 0.000364 -0.002124 0.002098 -0.000600 -0.003157 27O 1f-2 -0.000700 -0.000334 -0.000220 -0.003586 0.000625 -0.001281 27O 1f+3 0.001284 -0.002408 -0.000728 0.007594 -0.004527 -0.006437 27O 1f-3 0.002777 0.000107 0.002786 -0.004964 0.006010 0.007524 28O 1s 0.000358 0.001212 -0.003303 0.000038 0.003431 0.002521 28O 2s 0.000442 0.003599 -0.008085 0.000447 0.013289 0.005547 28O 3s 0.012340 -0.020758 0.012056 -0.009667 -0.110090 0.011912 28O 4s -0.119061 0.023144 0.178972 0.037367 0.326316 -0.155705 28O 5s 0.099740 0.551541 -0.848511 0.416807 0.643819 -0.305740 28O 1pz 0.011600 -0.007299 0.013067 0.008666 -0.025682 0.016213 28O 1px -0.008356 0.020368 -0.008339 0.042073 -0.004803 -0.002417 28O 1py -0.022677 -0.034098 -0.013906 0.029672 0.002035 0.002656 28O 2pz 0.011348 -0.072343 0.087171 0.022729 -0.138776 0.046852 28O 2px -0.050806 0.082677 -0.055902 0.010431 0.154557 -0.064885 28O 2py -0.004300 -0.013476 0.030500 0.019453 -0.018882 0.004625 28O 3pz 0.027009 0.257392 -0.513449 -0.757643 -0.388621 -0.132077 28O 3px 0.199986 -0.130030 -0.153809 0.001667 0.496758 -0.444969 28O 3py 0.014254 0.258928 -0.124765 -0.493722 -0.148769 -0.190285 28O 1dz2 -0.001703 0.001261 -0.001599 0.001322 -0.000482 0.003642 28O 1dxz 0.002400 -0.000072 -0.000745 0.003941 0.005089 -0.000135 28O 1dyz -0.002173 0.000702 0.001036 0.002229 0.001412 0.004613 28O 1dx2y2 0.001205 0.000318 0.001687 -0.002115 -0.002956 -0.001744 28O 1dxy 0.001281 -0.002215 -0.000590 0.001314 0.002098 -0.000446 28O 2dz2 -0.121670 -0.122095 -0.083708 0.137134 0.135410 0.097119 28O 2dxz 0.061229 -0.037742 -0.091342 -0.140764 -0.051061 0.006854 28O 2dyz 0.074948 0.109972 0.044831 -0.056304 0.052686 -0.021639 28O 2dx2y2 0.028366 -0.015116 -0.158377 -0.083263 -0.036034 -0.162567 28O 2dxy -0.070846 -0.060920 -0.040594 -0.204827 -0.035320 -0.117788 28O 1f0 -0.004559 -0.001631 -0.001078 0.002152 0.002356 0.000396 28O 1f+1 -0.003251 0.000734 -0.000848 0.000597 0.005412 0.001501 28O 1f-1 0.001033 -0.000608 -0.001385 -0.000478 0.000124 -0.002918 28O 1f+2 -0.000414 -0.002924 0.002414 -0.002232 -0.006131 0.000602 28O 1f-2 -0.001092 0.002746 -0.001119 -0.001999 0.002456 -0.002166 28O 1f+3 -0.001831 -0.001555 0.002078 -0.002088 -0.002790 0.000145 28O 1f-3 0.000276 0.003743 0.001095 0.001599 -0.000625 0.002615 29O 1s 0.002701 -0.000506 -0.000233 0.000176 -0.006547 -0.001413 29O 2s 0.012049 -0.005980 -0.000096 -0.000239 -0.021395 0.004970 29O 3s -0.147332 0.126533 -0.012679 0.018151 0.142553 -0.229170 29O 4s 0.485818 -0.536076 0.092851 -0.093039 -0.144776 1.131627 29O 5s -0.091452 0.334882 -0.329848 0.082564 -0.874226 -0.970134 29O 1pz 0.044203 0.006557 -0.013000 0.046835 -0.046455 -0.034527 29O 1px 0.008883 -0.012413 -0.043645 0.010588 -0.016960 0.012215 29O 1py 0.033515 -0.055748 -0.022086 -0.020297 -0.042175 0.129939 29O 2pz -0.186883 0.018239 0.065464 -0.085186 0.100358 0.007438 29O 2px 0.024578 -0.049830 0.052328 -0.034157 -0.046251 0.067131 29O 2py -0.148020 0.133493 -0.052418 0.027218 0.129487 -0.297915 29O 3pz -0.625399 0.116454 0.246553 -0.008115 -0.226378 -0.459991 29O 3px 0.289619 -0.678502 -0.068913 -0.093620 0.071069 0.855823 29O 3py -0.068396 0.181792 0.289940 0.037233 0.211631 0.078780 29O 1dz2 -0.003400 -0.000909 -0.000428 -0.001214 0.000331 0.002833 29O 1dxz 0.003119 0.002583 -0.005115 -0.000175 -0.006020 0.001741 29O 1dyz 0.000296 0.001904 0.001648 -0.002569 0.002348 0.002584 29O 1dx2y2 0.004072 0.000760 0.002875 0.000169 0.003600 -0.004233 29O 1dxy 0.000947 -0.002673 -0.003878 -0.001943 0.001681 0.001904 29O 2dz2 0.394722 -0.258846 -0.072733 0.120491 -0.158175 0.212172 29O 2dxz 0.087269 -0.210832 0.006314 -0.175801 -0.036485 0.263372 29O 2dyz 0.325267 -0.030156 -0.077293 0.152421 -0.088157 -0.008204 29O 2dx2y2 -0.128275 0.136137 0.060256 -0.024951 0.070468 -0.211080 29O 2dxy -0.261936 0.309239 -0.176498 0.061494 -0.002802 -0.292651 29O 1f0 -0.012322 0.011003 0.000263 0.003181 0.015293 -0.026606 29O 1f+1 0.003053 -0.004472 0.000148 0.000385 -0.005976 0.010256 29O 1f-1 -0.022230 0.012791 0.002338 -0.002046 0.016939 -0.026715 29O 1f+2 0.009987 -0.003904 -0.003197 0.000776 -0.011371 0.011831 29O 1f-2 -0.000112 0.010169 -0.003863 0.007047 0.002618 -0.022218 29O 1f+3 0.002396 -0.006697 0.001423 -0.001794 -0.007247 0.013517 29O 1f-3 0.000004 -0.002905 0.005239 -0.002749 -0.002181 0.008560 30O 1s 0.000600 0.002171 0.000313 -0.000892 0.003126 0.001465 30O 2s 0.002804 0.003927 0.000829 -0.002181 0.011912 0.004975 30O 3s -0.036227 0.024221 -0.005561 0.007147 -0.097357 -0.045228 30O 4s 0.087964 -0.232806 -0.003595 0.015578 0.301394 0.169018 30O 5s 1.107349 -0.121903 0.498399 -0.597032 0.679561 0.668783 30O 1pz 0.017787 0.004166 -0.030959 -0.007897 -0.022221 0.002386 30O 1px 0.013740 0.030450 0.013208 -0.047314 -0.026904 0.005743 30O 1py 0.018896 -0.004854 0.006356 0.017330 0.007746 -0.003498 30O 2pz -0.083244 -0.014494 -0.081691 0.003094 -0.086534 -0.143860 30O 2px 0.079220 0.020822 0.089143 -0.028177 0.112048 0.185058 30O 2py 0.100188 0.009993 0.094381 0.003677 0.099458 0.159365 30O 3pz -0.301003 0.816723 0.610915 0.487054 -0.477207 0.177716 30O 3px 0.493480 -0.397396 -0.006906 0.198446 0.456310 0.059970 30O 3py 0.296127 -0.893304 -0.543974 -0.669713 0.534009 -0.180110 30O 1dz2 -0.000236 0.002148 0.000775 0.000108 -0.001372 0.000886 30O 1dxz 0.003725 -0.002172 -0.001252 -0.003543 0.003043 0.002088 30O 1dyz 0.003610 -0.004174 0.000811 0.001490 0.001260 -0.001919 30O 1dx2y2 0.002423 -0.003638 -0.000309 0.001980 -0.000211 -0.004338 30O 1dxy -0.004108 0.003258 -0.000662 0.003500 -0.004677 -0.003054 30O 2dz2 -0.087114 -0.105214 0.157928 -0.138136 0.090705 0.010145 30O 2dxz 0.054087 0.085859 0.090684 0.040863 0.000906 -0.014477 30O 2dyz -0.000307 0.020038 -0.118173 -0.016295 -0.074529 -0.010702 30O 2dx2y2 -0.002169 0.062589 0.182131 0.193098 -0.096184 -0.040810 30O 2dxy 0.107991 -0.016540 -0.028003 -0.194080 0.005320 0.057455 30O 1f0 0.000110 -0.001084 0.000892 -0.002828 0.003392 0.007314 30O 1f+1 -0.002731 -0.000932 0.002054 -0.001375 0.001886 0.002026 30O 1f-1 0.001663 0.003643 -0.000511 0.000615 -0.000414 0.001281 30O 1f+2 -0.001856 0.001610 -0.001318 0.002062 -0.002459 -0.000199 30O 1f-2 -0.002909 0.000179 -0.003336 0.001689 -0.006637 -0.007020 30O 1f+3 0.000029 -0.000738 0.000181 -0.000814 0.001268 0.001016 30O 1f-3 -0.004682 -0.000244 0.001352 0.005078 -0.001880 -0.005284 31O 1s -0.002048 -0.000409 -0.000323 0.000852 0.003151 -0.001493 31O 2s -0.003735 -0.002422 -0.000900 0.002005 0.011894 -0.004523 31O 3s -0.021534 0.036896 0.006609 -0.005323 -0.095760 0.032502 31O 4s 0.220741 -0.099320 -0.000288 -0.022499 0.294472 -0.120860 31O 5s 0.010364 -1.083913 -0.510068 0.584515 0.671577 -0.426313 31O 1pz 0.008632 0.017297 -0.030379 -0.008879 0.021190 0.008129 31O 1px 0.031728 0.010361 0.013158 -0.048602 0.027211 -0.003947 31O 1py -0.002924 0.017733 0.006325 0.016948 -0.006616 -0.006495 31O 2pz -0.020264 -0.075044 -0.082177 0.002274 0.083946 -0.118016 31O 2px 0.026572 0.069451 0.090469 -0.027096 -0.108845 0.138232 31O 2py 0.017227 0.091853 0.094880 0.004676 -0.096722 0.136382 31O 3pz 0.765694 -0.405203 0.597602 0.464721 0.492794 0.174102 31O 3px -0.329853 0.525233 0.002000 0.210426 -0.441166 0.035133 31O 3py -0.820388 0.381623 -0.528303 -0.642968 -0.552975 -0.216708 31O 1dz2 -0.002236 0.000614 -0.000796 -0.000028 -0.001396 -0.000496 31O 1dxz 0.001660 -0.003947 0.001198 0.003464 0.003137 -0.001983 31O 1dyz 0.003653 -0.004112 -0.000844 -0.001581 0.001141 0.002168 31O 1dx2y2 0.003218 -0.002773 0.000280 -0.002019 -0.000355 0.004129 31O 1dxy -0.002566 0.004287 0.000747 -0.003388 -0.004718 0.003073 31O 2dz2 0.108997 0.081478 -0.158404 0.132506 0.096173 -0.009704 31O 2dxz -0.101759 -0.030383 -0.090399 -0.040332 0.002122 -0.006029 31O 2dyz -0.016870 -0.004067 0.118587 0.017211 -0.069660 -0.009306 31O 2dx2y2 -0.066664 0.015788 -0.180874 -0.190346 -0.107817 0.034492 31O 2dxy -0.004952 -0.098767 0.026638 0.193806 0.010025 -0.022710 31O 1f0 -0.001232 0.000202 0.000913 -0.002784 -0.003403 0.005886 31O 1f+1 -0.001362 -0.002642 0.002028 -0.001286 -0.001929 0.001530 31O 1f-1 0.003829 0.001038 -0.000507 0.000511 0.000448 0.000715 31O 1f+2 0.001428 -0.002123 -0.001373 0.001941 0.002477 -0.000093 31O 1f-2 -0.000017 -0.002708 -0.003407 0.001553 0.006562 -0.005209 31O 1f+3 -0.000799 0.000053 0.000220 -0.000797 -0.001319 0.000556 31O 1f-3 -0.000924 -0.004335 0.001269 0.005063 0.001978 -0.003765 32O 1s 0.000258 -0.003032 0.000210 0.000017 -0.006442 0.002981 32O 2s 0.004595 -0.013523 -0.000011 0.000835 -0.020869 0.000038 32O 3s -0.105606 0.165159 0.013994 -0.021527 0.135357 0.198294 32O 4s 0.456759 -0.543618 -0.097304 0.093606 -0.119490 -1.111155 32O 5s -0.289719 0.089502 0.330000 -0.054065 -0.876962 1.188276 32O 1pz 0.011292 0.038952 -0.014786 0.045187 0.048457 -0.022803 32O 1px -0.011572 0.008187 -0.043871 0.009864 0.015625 0.016731 32O 1py -0.050328 0.041839 -0.022203 -0.019381 0.039149 0.117957 32O 2pz -0.000864 -0.168721 0.072156 -0.082119 -0.100985 -0.000461 32O 2px -0.044716 0.041421 0.055070 -0.035278 0.044528 0.046173 32O 2py 0.110538 -0.171048 -0.052006 0.027897 -0.124162 -0.267732 32O 3pz 0.059197 -0.622058 0.245071 -0.018580 0.243576 -0.386762 32O 3px -0.615546 0.378393 -0.060408 -0.085375 -0.098150 0.927782 32O 3py 0.172898 -0.113666 0.290116 0.041779 -0.196753 0.112129 32O 1dz2 0.001189 0.003262 0.000398 0.001154 0.000338 -0.001713 32O 1dxz -0.002704 -0.002845 0.005194 0.000360 -0.005929 -0.001435 32O 1dyz -0.001806 -0.000265 -0.001675 0.002479 0.002508 -0.001477 32O 1dx2y2 -0.001253 -0.003906 -0.002873 -0.000251 0.003319 0.003021 32O 1dxy 0.002513 -0.001462 0.003855 0.001907 0.001819 -0.001377 32O 2dz2 0.215204 -0.410118 0.068800 -0.109303 -0.150507 -0.209354 32O 2dxz 0.193858 -0.128788 -0.017514 0.177412 -0.018876 -0.235866 32O 2dyz 0.006199 -0.322332 0.087870 -0.151843 -0.098436 -0.026608 32O 2dx2y2 -0.116265 0.142953 -0.065080 0.028035 0.069381 0.205180 32O 2dxy -0.261763 0.319238 0.184040 -0.052573 -0.013876 0.271494 32O 1f0 0.008612 -0.012397 0.000047 0.003702 -0.013526 -0.022056 32O 1f+1 -0.004457 0.004055 0.000334 -0.000084 0.006172 0.009932 32O 1f-1 0.010501 -0.023587 0.002343 -0.001283 -0.016715 -0.026124 32O 1f+2 -0.003366 0.011053 -0.003216 0.000312 0.011673 0.011613 32O 1f-2 0.009392 -0.002003 -0.004462 0.007157 -0.001455 -0.018552 32O 1f+3 -0.005854 0.003609 0.001324 -0.001611 0.006749 0.010440 32O 1f-3 -0.002598 0.000717 0.005527 -0.002750 0.001726 0.006688 33O 1s -0.001197 -0.000324 0.003295 -0.000178 0.003518 -0.003004 33O 2s -0.003544 -0.000316 0.008059 -0.001006 0.013453 -0.006768 33O 3s 0.020451 -0.013565 -0.011825 0.014388 -0.109136 -0.010441 33O 4s -0.019571 0.123637 -0.178491 -0.050718 0.316890 0.163586 33O 5s -0.597541 -0.093211 0.834898 -0.450253 0.627665 0.260686 33O 1pz -0.004513 0.011326 0.013521 0.007618 0.025405 0.017720 33O 1px 0.018375 -0.010038 -0.008492 0.042366 0.005183 -0.012863 33O 1py -0.037647 -0.017560 -0.013883 0.029306 -0.000968 -0.003589 33O 2pz -0.074595 0.014022 0.086605 0.016072 0.138343 0.040998 33O 2px 0.079770 -0.055710 -0.056060 0.017960 -0.151853 -0.075483 33O 2py -0.015456 -0.004425 0.030468 0.018422 0.019918 -0.004475 33O 3pz 0.225432 0.002529 -0.522997 -0.766401 0.360312 -0.141308 33O 3px -0.078365 0.221362 -0.144201 0.023599 -0.487016 -0.377361 33O 3py 0.235630 0.005885 -0.131015 -0.496354 0.137148 -0.169371 33O 1dz2 -0.001077 0.001941 0.001619 -0.001315 -0.000375 -0.003432 33O 1dxz -0.000369 -0.002497 0.000683 -0.004189 0.004945 -0.000443 33O 1dyz -0.000331 0.002197 -0.000961 -0.002234 0.001403 -0.004812 33O 1dx2y2 -0.000460 -0.001103 -0.001682 0.002230 -0.002963 0.001507 33O 1dxy 0.001818 -0.001488 0.000536 -0.001421 0.002028 -0.000213 33O 2dz2 0.130533 0.110356 0.082721 -0.141183 0.133580 -0.079627 33O 2dxz 0.026335 -0.057874 0.091700 0.143583 -0.046011 -0.031363 33O 2dyz -0.115872 -0.064190 -0.044515 0.052517 0.054507 0.015323 33O 2dx2y2 0.005790 -0.021524 0.157335 0.084178 -0.034143 0.178444 33O 2dxy 0.078891 0.052614 0.041281 0.207616 -0.032852 0.114513 33O 1f0 -0.002278 -0.004131 -0.001073 0.002206 -0.002287 -0.000211 33O 1f+1 0.000374 -0.003175 -0.000850 0.000798 -0.005403 0.000573 33O 1f-1 -0.000437 0.001199 -0.001336 -0.000548 -0.000117 -0.002806 33O 1f+2 -0.003164 -0.000139 0.002353 -0.002523 0.006070 0.001153 33O 1f-2 0.002514 -0.001321 -0.001145 -0.001899 -0.002498 -0.002237 33O 1f+3 -0.001913 -0.001522 0.002026 -0.002243 0.002733 0.000427 33O 1f-3 0.003903 -0.000309 0.001104 0.001595 0.000638 0.002628 34O 1s -0.002728 -0.002134 -0.001727 0.001752 0.003527 -0.000105 34O 2s -0.006061 -0.005246 -0.002808 0.003639 0.007877 0.001292 34O 3s -0.013892 0.010835 -0.028827 0.024198 0.011280 -0.044968 34O 4s 0.271381 0.105741 0.266267 -0.184409 -0.167873 0.260188 34O 5s 0.258761 -1.171139 -0.235714 -0.826869 -0.102709 0.287132 34O 1pz -0.015597 -0.022362 -0.012219 0.008451 -0.004382 0.010484 34O 1px -0.009000 -0.003933 -0.014123 -0.056786 -0.046300 0.025579 34O 1py -0.006625 -0.003297 0.018851 -0.010225 -0.010748 -0.017166 34O 2pz 0.002991 -0.032964 -0.031398 0.026001 0.039285 -0.002290 34O 2px 0.074628 -0.096684 0.057723 -0.121891 -0.123375 0.236723 34O 2py -0.014191 0.078518 0.025160 0.007003 -0.024905 -0.063573 34O 3pz -0.046554 0.135428 0.296590 -0.444553 -0.140543 -0.008826 34O 3px 0.604622 -0.354681 0.327624 -0.578720 0.074756 -0.078581 34O 3py -0.416829 -0.227960 -0.200135 0.914945 0.205165 0.069375 34O 1dz2 0.001379 -0.001606 0.001176 -0.001566 -0.000448 0.001100 34O 1dxz -0.000259 0.002270 -0.001243 0.000255 -0.000198 0.001160 34O 1dyz -0.002091 0.000152 -0.000760 0.001275 -0.003819 -0.001551 34O 1dx2y2 -0.001040 0.002212 -0.001503 0.004016 -0.000065 -0.002436 34O 1dxy 0.003721 -0.004201 -0.001616 -0.002897 0.000284 -0.001707 34O 2dz2 0.175797 0.142945 -0.232766 0.051175 0.074852 -0.038906 34O 2dxz -0.018461 0.007420 -0.063443 -0.141646 -0.094153 0.027670 34O 2dyz -0.021624 -0.023640 0.138121 -0.167555 -0.033766 -0.008762 34O 2dx2y2 0.088341 0.043156 -0.146064 -0.110641 -0.118940 0.046516 34O 2dxy -0.110950 -0.099367 -0.057516 0.225158 0.112847 -0.082257 34O 1f0 -0.000354 -0.001550 0.000959 0.001750 0.001897 -0.002515 34O 1f+1 0.002377 0.002091 -0.000125 0.006494 0.007182 -0.005990 34O 1f-1 -0.001338 -0.000420 -0.001275 -0.000461 -0.002585 0.000274 34O 1f+2 0.000418 0.000395 -0.002117 0.002092 0.000640 -0.003026 34O 1f-2 -0.000413 -0.000467 -0.000208 -0.003517 -0.000741 -0.000912 34O 1f+3 -0.002445 0.001529 -0.000749 0.007511 0.004750 -0.004541 34O 1f-3 0.000649 0.002640 0.002841 -0.004888 -0.006220 0.006407 35O 1s -0.000615 0.000766 0.002331 -0.002463 0.002846 -0.001447 35O 2s -0.000453 0.001045 0.005388 -0.005651 0.005926 -0.004788 35O 3s -0.016846 0.016300 -0.001675 -0.018886 0.022790 0.018651 35O 4s 0.109900 -0.074230 -0.180919 0.193456 -0.195590 -0.010031 35O 5s -0.361599 -0.296101 0.732464 0.967452 -0.685909 0.173256 35O 1pz -0.028063 0.005082 0.005382 -0.021074 -0.007024 0.015357 35O 1px -0.020638 -0.008509 0.019988 0.049426 -0.044004 0.009912 35O 1py 0.005095 0.006479 -0.002885 0.020820 -0.010565 0.007432 35O 2pz -0.040250 0.000673 0.055510 0.000688 0.014350 0.015081 35O 2px -0.049096 -0.015698 0.084896 0.167694 -0.200725 0.061128 35O 2py -0.043443 -0.010101 0.059765 0.059575 -0.059059 0.031250 35O 3pz 0.333031 -0.303252 -0.526880 0.682449 -0.066086 0.416281 35O 3px 0.400116 -0.613994 -0.339107 0.320765 0.015163 -0.198499 35O 3py 0.486183 -0.103026 -0.281498 0.523135 -0.108362 0.230636 35O 1dz2 0.001652 -0.001773 -0.000210 0.002067 0.001223 0.001254 35O 1dxz -0.001196 0.004866 -0.000043 -0.002212 -0.000807 0.000670 35O 1dyz 0.000094 0.001635 -0.000751 -0.000004 0.002519 0.001501 35O 1dx2y2 0.000151 0.003044 0.000648 -0.001696 0.001115 -0.000927 35O 1dxy -0.002552 0.002609 -0.001773 -0.003016 0.000939 -0.000124 35O 2dz2 0.194975 0.239729 0.121134 -0.150554 0.057284 -0.014795 35O 2dxz 0.061411 0.021652 -0.005396 0.218739 -0.173741 0.148779 35O 2dyz -0.132624 -0.113545 -0.059461 -0.061965 0.020597 -0.038876 35O 2dx2y2 0.068754 0.046665 0.142311 -0.023617 -0.053196 -0.052813 35O 2dxy 0.101375 0.070489 -0.028606 0.134842 -0.114211 0.048944 35O 1f0 0.000598 -0.001727 -0.001028 -0.001883 0.004693 -0.003136 35O 1f+1 0.000951 0.002544 -0.001856 -0.008604 0.006425 -0.006709 35O 1f-1 -0.000272 0.002165 -0.001023 -0.001548 0.000753 0.002560 35O 1f+2 0.000035 0.002428 -0.001349 0.003431 -0.003276 0.003555 35O 1f-2 -0.001362 0.000832 0.000276 -0.000143 -0.003007 0.001364 35O 1f+3 -0.001830 -0.000209 -0.002131 -0.002476 0.001933 0.000178 35O 1f-3 0.000209 -0.000112 -0.001830 -0.009094 0.008632 -0.007225 348 349 350 351 352 353 1.74690 1.75582 1.79356 1.79427 1.80511 1.81153 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s -0.000125 0.001613 -0.000413 -0.005624 0.001458 0.002335 0Rh 2s -0.002866 -0.006729 0.001596 0.021562 -0.001944 -0.009220 0Rh 3s -0.002483 0.005350 -0.001449 -0.019830 0.007375 0.008074 0Rh 4s 0.015124 0.032700 -0.007784 -0.104081 0.008257 0.044745 0Rh 5s -0.050132 -0.035594 0.008056 0.089535 0.029122 -0.043004 0Rh 6s 0.133520 -0.061133 0.015888 0.325542 -0.195249 -0.115666 0Rh 7s -1.334533 0.067640 -0.087595 -2.684120 1.557359 0.661812 0Rh 8s 0.513319 -0.280295 -0.003789 0.153895 -0.314012 -0.306088 0Rh 1pz 0.006969 -0.006147 -0.003774 0.013238 -0.011342 0.006269 0Rh 1px -0.019020 0.000680 0.003393 -0.017092 0.011924 0.017869 0Rh 1py -0.009642 0.005013 -0.012204 -0.003684 0.006775 -0.008161 0Rh 2pz -0.022505 0.020181 0.012703 -0.045739 0.037891 -0.021422 0Rh 2px 0.062343 -0.001634 -0.011554 0.059857 -0.038989 -0.061316 0Rh 2py 0.032128 -0.017016 0.040945 0.012829 -0.022734 0.027889 0Rh 3pz -0.022077 0.011874 0.000744 0.020924 0.008841 0.004863 0Rh 3px 0.041777 -0.014211 0.001896 -0.044112 -0.029964 0.018790 0Rh 3py 0.009468 0.001699 0.004845 -0.007751 -0.003930 -0.006309 0Rh 4pz 0.225164 -0.165978 -0.077171 0.192441 -0.259622 0.109527 0Rh 4px -0.552237 0.067377 0.061783 -0.183627 0.368522 0.297588 0Rh 4py -0.231701 0.095589 -0.255540 -0.048005 0.155271 -0.143196 0Rh 5pz -0.391022 0.267700 0.111735 -0.265900 0.404094 -0.172030 0Rh 5px 0.963468 -0.119009 -0.092916 0.188998 -0.674065 -0.444540 0Rh 5py 0.367388 -0.144996 0.363665 0.068358 -0.250822 0.225550 0Rh 6pz 1.192163 -0.795206 -0.395188 -0.838509 -1.334814 0.433299 0Rh 6px -1.429176 0.502432 0.165081 3.336249 1.167005 -0.126742 0Rh 6py -0.065770 0.006689 -1.590121 0.408900 -0.001850 -0.515299 0Rh 1dz2 -0.010707 -0.002143 0.001910 0.003575 0.019473 -0.001188 0Rh 1dxz -0.006489 -0.014131 0.000007 0.000625 0.015851 -0.012928 0Rh 1dyz -0.005592 0.004442 0.008357 -0.000141 -0.005743 -0.002309 0Rh 1dx2y2 0.015656 0.015421 -0.005295 -0.006250 -0.006551 0.010334 0Rh 1dxy 0.006929 0.002174 0.001878 -0.004050 -0.003305 0.007423 0Rh 2dz2 0.001113 0.000488 -0.000611 0.000093 -0.002845 0.001108 0Rh 2dxz 0.001170 0.003936 -0.000449 0.000019 -0.005224 0.002317 0Rh 2dyz 0.001679 -0.002976 -0.002116 0.000050 0.001708 -0.000357 0Rh 2dx2y2 -0.001082 -0.004893 0.001147 0.000111 0.002432 -0.003684 0Rh 2dxy -0.000757 -0.002652 -0.003990 0.000282 0.000789 -0.001570 0Rh 3dz2 0.021141 0.003124 -0.001844 -0.009153 -0.035386 -0.001845 0Rh 3dxz 0.010991 0.017044 0.001801 -0.001823 -0.016513 0.021249 0Rh 3dyz 0.006298 0.002507 -0.010799 0.000092 0.006537 0.007095 0Rh 3dx2y2 -0.033460 -0.015813 0.008137 0.014867 0.005552 -0.009271 0Rh 3dxy -0.013741 0.006402 0.012467 0.008758 0.004678 -0.011027 0Rh 4dz2 0.020413 0.004318 -0.012243 0.001042 -0.050080 0.013893 0Rh 4dxz 0.012911 0.066577 -0.003358 0.005931 -0.076012 0.045661 0Rh 4dyz 0.025855 -0.054770 -0.042450 0.002076 0.029676 -0.001363 0Rh 4dx2y2 -0.019107 -0.082679 0.015465 0.000207 0.034601 -0.055971 0Rh 4dxy -0.010125 -0.041752 -0.052042 0.003841 0.012436 -0.031689 0Rh 5dz2 -0.061776 0.078237 0.076797 -0.002341 0.182293 -0.023924 0Rh 5dxz 0.015556 -0.284137 -0.012128 -0.065314 0.254059 -0.240843 0Rh 5dyz -0.088344 0.436798 0.247685 -0.021417 -0.138136 -0.021395 0Rh 5dx2y2 0.023295 0.369310 -0.024142 0.015113 -0.121384 0.188355 0Rh 5dxy -0.015650 0.228420 0.167862 -0.009483 -0.047538 0.186329 0Rh 1f0 -0.015627 0.008716 -0.079890 0.006992 0.045404 -0.029840 0Rh 1f+1 0.009990 0.004841 -0.028591 0.004953 -0.014508 0.019785 0Rh 1f-1 -0.018209 -0.050360 -0.148415 0.028722 -0.046278 -0.005543 0Rh 1f+2 -0.048803 0.014393 -0.013106 -0.032796 0.131989 -0.074896 0Rh 1f-2 -0.045221 0.058427 -0.126213 0.000462 0.002439 -0.027085 0Rh 1f+3 0.018516 -0.047836 0.044348 -0.002696 -0.020955 0.031838 0Rh 1f-3 -0.008507 -0.013911 -0.060630 0.012326 0.004449 -0.051646 1Rh 1s 0.000684 -0.001591 -0.000320 0.005543 0.001765 -0.002370 1Rh 2s -0.006203 0.006487 0.001229 -0.021501 -0.003126 0.009271 1Rh 3s 0.000221 -0.005372 -0.001126 0.019388 0.008455 -0.008245 1Rh 4s 0.031334 -0.031460 -0.006009 0.103864 0.013973 -0.044968 1Rh 5s -0.067697 0.032559 0.006421 -0.091893 0.024102 0.042403 1Rh 6s 0.103616 0.067236 0.010863 -0.312914 -0.212587 0.120036 1Rh 7s -1.340722 -0.146843 -0.048246 2.580821 1.702165 -0.692730 1Rh 8s 0.375834 0.306671 -0.004738 -0.130438 -0.332145 0.311208 1Rh 1pz -0.005459 -0.006335 0.003882 0.012318 0.011851 0.006274 1Rh 1px 0.018065 0.001616 -0.003571 -0.016252 -0.012965 0.018214 1Rh 1py 0.010096 0.006282 0.011816 -0.003207 -0.007190 -0.008188 1Rh 2pz 0.017567 0.020754 -0.013072 -0.042669 -0.039669 -0.021438 1Rh 2px -0.059697 -0.004679 0.012180 0.057103 0.042638 -0.062456 1Rh 2py -0.033728 -0.021269 -0.039614 0.011229 0.024175 0.027986 1Rh 3pz 0.018602 0.013203 -0.000690 0.021708 -0.007639 0.004834 1Rh 3px -0.029579 -0.016758 -0.002373 -0.046032 0.027222 0.018176 1Rh 3py -0.008018 0.000918 -0.005241 -0.008041 0.003200 -0.006403 1Rh 4pz -0.181555 -0.174887 0.079118 0.171179 0.265544 0.110059 1Rh 4px 0.487851 0.096515 -0.063635 -0.158495 -0.379499 0.307201 1Rh 4py 0.235140 0.124421 0.249067 -0.036875 -0.161206 -0.143220 1Rh 5pz 0.318212 0.284175 -0.114437 -0.233025 -0.411080 -0.173903 1Rh 5px -0.851244 -0.170707 0.094464 0.143686 0.685009 -0.461284 1Rh 5py -0.370364 -0.190393 -0.353834 0.049782 0.260164 0.224868 1Rh 6pz -0.984400 -0.858175 0.394374 -0.942068 1.271194 0.416984 1Rh 6px 0.960580 0.575807 -0.115078 3.398234 -0.966625 -0.105650 1Rh 6py 0.034318 0.014248 1.587530 0.400021 0.000910 -0.532858 1Rh 1dz2 -0.015393 0.001457 0.001824 -0.004556 0.019291 0.001102 1Rh 1dxz -0.011529 0.013847 -0.000306 -0.001516 0.015631 0.012712 1Rh 1dyz -0.006565 -0.004802 0.008237 0.000065 -0.005731 0.002068 1Rh 1dx2y2 0.024035 -0.014422 -0.005207 0.007060 -0.006092 -0.009950 1Rh 1dxy 0.009132 -0.001367 0.001724 0.004384 -0.002920 -0.007345 1Rh 2dz2 0.002552 -0.000423 -0.000570 0.000033 -0.002859 -0.001096 1Rh 2dxz 0.002997 -0.003896 -0.000410 0.000323 -0.005201 -0.002196 1Rh 2dyz 0.002168 0.003088 -0.002067 -0.000010 0.001669 0.000436 1Rh 2dx2y2 -0.003739 0.004795 0.001139 -0.000291 0.002367 0.003602 1Rh 2dxy -0.001593 0.002563 -0.003974 -0.000288 0.000726 0.001604 1Rh 3dz2 0.026124 -0.001741 -0.001815 0.010997 -0.034877 0.001998 1Rh 3dxz 0.015208 -0.016514 0.002404 0.002552 -0.016068 -0.021238 1Rh 3dyz 0.006483 -0.002116 -0.010721 -0.000080 0.006695 -0.006856 1Rh 3dx2y2 -0.042049 0.013808 0.007957 -0.016069 0.004717 0.008678 1Rh 3dxy -0.015399 -0.007988 0.012769 -0.009545 0.003999 0.010690 1Rh 4dz2 0.045010 -0.003015 -0.011636 0.001391 -0.050382 -0.013632 1Rh 4dxz 0.042330 -0.066212 -0.002739 -0.001195 -0.075791 -0.043968 1Rh 4dyz 0.034219 0.056482 -0.041700 -0.001473 0.028543 0.002766 1Rh 4dx2y2 -0.063490 0.080959 0.015322 -0.002994 0.033448 0.054712 1Rh 4dxy -0.023708 0.040347 -0.051550 -0.004071 0.011493 0.032096 1Rh 5dz2 -0.170928 -0.083052 0.074412 -0.008036 0.186247 0.022584 1Rh 5dxz -0.099587 0.285830 -0.014135 0.051316 0.253859 0.234610 1Rh 5dyz -0.135677 -0.442619 0.244745 0.018702 -0.122966 0.014131 1Rh 5dx2y2 0.205054 -0.364514 -0.023248 -0.005518 -0.114025 -0.184366 1Rh 5dxy 0.034936 -0.227816 0.163897 0.009459 -0.042748 -0.187959 1Rh 1f0 0.012416 0.011552 0.078365 0.008765 -0.045014 -0.031034 1Rh 1f+1 -0.002991 0.005314 0.029153 0.002870 0.014636 0.018850 1Rh 1f-1 0.023363 -0.044715 0.146947 0.023213 0.046660 -0.007529 1Rh 1f+2 0.052351 0.018566 0.012062 -0.022903 -0.132252 -0.073151 1Rh 1f-2 0.053233 0.064242 0.126800 0.001288 -0.002194 -0.028389 1Rh 1f+3 -0.011894 -0.048617 -0.044010 -0.005100 0.020784 0.032507 1Rh 1f-3 0.011116 -0.012246 0.059008 0.012245 -0.003989 -0.052102 2C 1s 0.004953 0.003340 0.007942 0.012159 0.014427 0.004910 2C 2s 0.021758 0.013957 0.028057 0.041350 0.048654 0.017666 2C 3s -0.342111 -0.182075 -0.382070 -0.503916 -0.577780 -0.231601 2C 4s 1.257229 0.495594 1.205838 1.449409 1.556129 0.686724 2C 5s 0.886183 0.715887 0.538454 -0.341507 0.221424 0.275050 2C 1pz -0.121013 -0.052398 0.050265 -0.097273 -0.179039 -0.109245 2C 1px -0.031902 0.032153 0.089125 0.002812 0.048550 -0.003879 2C 1py -0.120697 -0.046015 -0.055181 -0.026805 0.104424 -0.003719 2C 2pz 0.942579 0.297614 0.133857 0.612822 0.740095 0.498567 2C 2px 0.190574 0.057278 -0.116404 -0.079677 -0.018753 0.033226 2C 2py 0.793679 0.271979 0.445491 0.233280 -0.215338 0.126274 2C 3pz 0.266740 0.126341 0.232241 0.085609 0.174007 0.085650 2C 3px 0.012832 0.241106 0.287012 0.160815 0.249776 0.078231 2C 3py 0.114885 0.105165 0.086844 0.102297 0.214831 0.109803 2C 1dz2 -0.009297 -0.002911 0.007591 -0.002078 0.017367 -0.002284 2C 1dxz -0.003582 -0.003561 -0.020947 -0.008678 -0.026810 0.001173 2C 1dyz -0.011853 -0.005954 -0.012614 -0.005582 -0.010121 -0.003425 2C 1dx2y2 0.012838 -0.001438 0.010744 -0.003278 -0.015468 -0.004324 2C 1dxy -0.005613 -0.006773 -0.037152 -0.000464 0.008382 0.006747 2C 2dz2 0.298117 0.056844 0.064922 0.194652 0.124141 0.132413 2C 2dxz 0.187630 0.145855 0.154882 0.008229 0.046744 0.045947 2C 2dyz 0.452620 0.138101 0.141240 0.229225 0.138198 0.160160 2C 2dx2y2 -0.126572 -0.045486 -0.050971 -0.092475 -0.115575 -0.062353 2C 2dxy 0.059565 0.082077 -0.000789 0.023163 0.186453 0.047779 2C 1f0 0.003281 -0.005283 0.028957 -0.002739 -0.026707 -0.014456 2C 1f+1 -0.004608 0.002056 -0.016397 0.000697 0.030930 0.009063 2C 1f-1 -0.010256 0.000105 0.020327 0.010513 0.030920 0.003625 2C 1f+2 0.012523 0.006382 -0.017726 -0.009450 -0.004836 0.002173 2C 1f-2 -0.005889 0.002101 0.018329 -0.002760 -0.010643 -0.008636 2C 1f+3 0.016608 0.010351 0.003320 -0.019122 -0.040742 -0.006974 2C 1f-3 -0.002046 0.001416 -0.009620 -0.005748 -0.003840 0.000885 3C 1s 0.004534 -0.008727 -0.011727 0.010692 0.013756 0.028813 3C 2s 0.020162 -0.028808 -0.042051 0.036689 0.044911 0.101546 3C 3s -0.349073 0.339146 0.580250 -0.461741 -0.537746 -1.288728 3C 4s 1.289602 -0.928069 -1.841945 1.349597 1.471616 3.785529 3C 5s -0.121066 0.226386 -0.495493 -0.318348 -1.177489 0.229434 3C 1pz -0.084683 0.014740 0.041259 -0.027325 -0.094754 -0.149734 3C 1px -0.056963 -0.008918 -0.153121 0.017512 -0.028999 -0.131085 3C 1py 0.099463 -0.027208 -0.093056 0.074669 0.004217 0.360060 3C 2pz 0.614162 -0.085102 -0.389434 0.273909 0.341645 0.923972 3C 2px 0.441440 -0.166706 0.244954 -0.081733 0.227374 0.749935 3C 2py -0.869819 0.184619 0.816797 -0.547720 -0.150665 -1.930852 3C 3pz -0.049876 0.017921 -0.055145 0.003967 -0.140289 0.181190 3C 3px 0.025084 -0.097976 -0.393591 0.160237 0.094077 0.213040 3C 3py -0.009734 0.030405 0.223219 -0.087074 0.035655 -0.460165 3C 1dz2 0.003266 -0.005700 -0.008602 0.002752 0.020203 -0.001950 3C 1dxz -0.008909 0.010337 -0.007216 0.000981 -0.009928 0.002176 3C 1dyz 0.014305 0.005456 -0.004690 -0.000481 -0.010389 0.003229 3C 1dx2y2 0.010920 0.008713 -0.003272 0.004322 -0.011485 0.016076 3C 1dxy 0.004354 -0.016028 -0.038230 0.014380 0.006157 0.001720 3C 2dz2 -0.089388 0.044709 0.114933 -0.045231 0.005383 -0.199226 3C 2dxz 0.133053 -0.087629 -0.254965 0.073019 0.036227 0.262793 3C 2dyz -0.354452 0.034961 0.215484 -0.217428 -0.119118 -0.754277 3C 2dx2y2 -0.296719 0.008770 0.183906 -0.172817 -0.088395 -0.500679 3C 2dxy -0.303036 0.135764 0.186590 -0.050480 -0.135610 -0.473720 3C 1f0 -0.012030 0.001691 -0.009632 0.012340 -0.011421 0.016887 3C 1f+1 0.003712 -0.002901 0.020149 -0.006875 0.011981 0.012905 3C 1f-1 0.005096 -0.004087 0.018085 -0.009460 0.007089 -0.003151 3C 1f+2 0.011867 0.011115 0.039654 -0.024753 -0.025425 0.012724 3C 1f-2 -0.004181 0.010453 0.003522 -0.003029 -0.027291 -0.007785 3C 1f+3 0.001536 -0.007797 -0.033354 0.006804 -0.001768 0.019736 3C 1f-3 -0.003963 0.005522 -0.011939 -0.003625 -0.010538 -0.008324 4C 1s 0.006356 0.002221 -0.007016 -0.001231 -0.008851 0.000318 4C 2s 0.022069 0.006836 -0.022608 -0.004749 -0.030898 0.000305 4C 3s -0.025856 0.071435 0.273106 0.259720 0.573516 0.129472 4C 4s -0.428235 -0.588437 -0.733067 -1.281309 -2.302251 -0.761625 4C 5s -0.440960 -0.817699 -0.022963 -0.198745 -0.159670 -0.417101 4C 1pz 0.014037 0.005171 -0.149500 -0.118282 -0.063572 -0.020688 4C 1px -0.006875 -0.092950 0.170071 0.271285 0.127335 -0.080308 4C 1py 0.012436 -0.044665 0.006713 0.041879 -0.035347 0.038682 4C 2pz 0.665154 -0.086542 0.961071 1.178502 0.381622 0.197842 4C 2px 0.364323 1.057224 -1.289654 -2.505100 -0.705827 0.331989 4C 2py 0.519795 0.367926 -0.011645 -0.241599 0.109075 0.141222 4C 3pz 0.653058 0.489885 1.133950 0.506652 1.142049 0.326634 4C 3px 0.500854 -0.314704 -0.831482 -0.256354 -0.500486 0.083976 4C 3py 0.530412 0.190801 0.384215 0.185731 0.587061 0.198802 4C 1dz2 -0.011624 -0.005400 -0.009445 0.004639 0.012925 0.014038 4C 1dxz -0.012265 -0.001529 -0.004018 0.002429 -0.014256 0.002083 4C 1dyz -0.005419 -0.005740 -0.009526 -0.002667 -0.000622 -0.006107 4C 1dx2y2 0.016329 0.008453 0.009790 -0.004307 -0.035084 -0.000078 4C 1dxy -0.004709 0.002387 -0.028677 0.002256 0.011623 0.007810 4C 2dz2 -0.364564 -0.320703 0.003957 0.357165 -0.019017 -0.076898 4C 2dxz -0.211838 0.513703 -0.241614 -0.762337 0.183404 0.057185 4C 2dyz -0.440212 -0.124448 -0.166979 -0.166766 -0.052596 -0.128905 4C 2dx2y2 0.240305 -0.020360 -0.049315 -0.053603 -0.042637 0.044661 4C 2dxy 0.049234 0.315274 -0.022908 -0.692043 -0.293855 -0.052943 4C 1f0 0.009460 0.004985 -0.011748 -0.001042 0.031447 0.017350 4C 1f+1 0.010237 0.005308 0.009184 0.017796 0.022112 0.014662 4C 1f-1 0.039150 0.008624 0.011579 0.032392 0.024762 0.021861 4C 1f+2 -0.026592 -0.024284 0.013641 0.000068 -0.013026 -0.007074 4C 1f-2 0.020755 0.012982 -0.003951 0.014613 0.012375 -0.001467 4C 1f+3 -0.001082 -0.013243 0.011046 0.028067 0.030071 0.016983 4C 1f-3 -0.006476 -0.003576 0.016562 0.021218 0.013192 -0.005263 5C 1s -0.000164 0.007142 0.007605 -0.003600 -0.009238 -0.004701 5C 2s 0.000828 0.023139 0.024620 -0.012490 -0.032541 -0.017848 5C 3s 0.167921 -0.316144 -0.434185 0.321709 0.498336 0.955297 5C 4s -0.799452 1.030208 1.628420 -1.366202 -1.894982 -4.810320 5C 5s -0.639184 -0.074075 0.181333 -0.035840 0.058365 -0.817837 5C 1pz 0.014785 0.014168 0.126259 -0.133514 -0.069443 0.004122 5C 1px -0.079828 -0.005273 -0.152023 0.287182 0.062807 -0.124923 5C 1py -0.000796 -0.029711 -0.114442 0.066786 0.108956 -0.038374 5C 2pz 0.173161 0.040573 -0.893014 1.162672 0.371191 0.243955 5C 2px 1.284508 -0.476195 1.066570 -2.722153 -0.414441 1.503032 5C 2py -0.631385 0.086848 0.920407 -0.820935 -0.503183 -0.630881 5C 3pz -0.301441 -0.340429 -0.854211 0.342358 -0.004141 0.741159 5C 3px 0.135747 0.552514 0.535417 -0.367788 -0.500613 1.062006 5C 3py 0.323221 0.307254 1.123172 -0.387840 0.054575 -1.500231 5C 1dz2 -0.000792 -0.007045 0.006307 0.000556 0.007988 0.006401 5C 1dxz -0.008030 -0.001223 -0.012984 0.008290 -0.004360 0.012896 5C 1dyz 0.009757 -0.000302 -0.010130 0.003381 0.001146 -0.008808 5C 1dx2y2 0.017574 0.011541 -0.000177 -0.000939 -0.031192 -0.018228 5C 1dxy 0.011571 -0.001457 -0.034794 0.002819 -0.014581 -0.001419 5C 2dz2 -0.064369 0.097998 -0.204708 0.401555 0.095708 0.218500 5C 2dxz 0.058827 -0.204809 0.291767 -0.472734 0.183207 0.086743 5C 2dyz 0.469377 -0.257953 -0.164580 -0.190602 0.089588 0.803118 5C 2dx2y2 0.462689 -0.247311 0.009010 -0.463291 -0.133975 0.326138 5C 2dxy -0.016077 0.341736 -0.207606 0.881284 0.014541 -0.033808 5C 1f0 -0.006755 0.003141 0.028721 -0.032042 -0.002442 -0.041232 5C 1f+1 -0.015594 0.008119 -0.028053 0.030856 0.013746 0.008620 5C 1f-1 -0.000759 -0.002300 -0.000935 -0.002936 -0.010067 -0.000026 5C 1f+2 -0.038583 0.007789 0.003707 -0.003040 -0.020815 -0.091313 5C 1f-2 -0.030420 0.014639 0.008799 -0.003216 -0.013853 -0.087620 5C 1f+3 0.010462 -0.003705 -0.024256 0.038607 0.016046 0.058080 5C 1f-3 -0.009652 0.009741 0.003111 0.002722 0.009299 -0.045279 6C 1s -0.000107 -0.007202 0.007776 0.003981 -0.008971 0.004704 6C 2s 0.001082 -0.023250 0.025218 0.013868 -0.031587 0.017910 6C 3s 0.133092 0.336429 -0.455783 -0.338610 0.457800 -0.951954 6C 4s -0.616586 -1.128039 1.728507 1.425077 -1.703295 4.792676 6C 5s -0.569926 0.022931 0.195895 0.019325 0.096514 0.810668 6C 1pz -0.030866 0.010740 -0.128301 -0.136953 0.065456 0.005290 6C 1px 0.098532 0.004536 0.153942 0.293288 -0.051526 -0.126896 6C 1py 0.006899 -0.028173 0.114380 0.071746 -0.107499 -0.038546 6C 2pz -0.107897 0.040902 0.910875 1.176924 -0.326521 0.229124 6C 2px -1.369399 -0.609687 -1.065982 -2.781583 0.352544 1.523058 6C 2py 0.584016 0.127731 -0.938566 -0.828097 0.461584 -0.618561 6C 3pz 0.352311 -0.339149 0.868986 0.340141 0.050206 0.716683 6C 3px -0.124995 0.532268 -0.513533 -0.402075 0.492143 1.052956 6C 3py -0.398102 0.320423 -1.153376 -0.374205 -0.123257 -1.458519 6C 1dz2 -0.001933 0.007059 0.006160 -0.001392 0.008372 -0.006713 6C 1dxz -0.006916 0.000434 -0.013236 -0.007838 -0.004907 -0.012985 6C 1dyz 0.010572 0.001128 -0.010058 -0.003114 0.000982 0.009269 6C 1dx2y2 0.018232 -0.010373 0.000225 0.002786 -0.030856 0.018874 6C 1dxy 0.008810 0.001902 -0.034943 -0.001583 -0.014953 0.001922 6C 2dz2 -0.087390 -0.107950 -0.212028 -0.406401 0.078043 -0.213481 6C 2dxz 0.066195 0.221470 0.295878 0.461902 0.190683 -0.096759 6C 2dyz 0.454815 0.303580 -0.178396 0.198923 0.066383 -0.801718 6C 2dx2y2 0.478118 0.290934 0.008379 0.480659 -0.130367 -0.325836 6C 2dxy -0.040002 -0.354544 -0.214661 -0.886694 -0.002211 0.044894 6C 1f0 0.004773 0.003721 -0.029696 -0.031979 0.000514 -0.040693 6C 1f+1 0.018191 0.009353 0.028003 0.031430 -0.012756 0.007809 6C 1f-1 0.000161 -0.002070 0.001124 -0.003434 0.010225 -0.000131 6C 1f+2 0.036512 0.011653 -0.005367 -0.002899 0.017902 -0.091099 6C 1f-2 0.028740 0.017697 -0.010899 -0.002829 0.010339 -0.087330 6C 1f+3 -0.007241 -0.004847 0.025414 0.039390 -0.013107 0.057593 6C 1f-3 0.007867 0.011012 -0.004127 0.003182 -0.010819 -0.045121 7C 1s 0.007888 -0.001871 -0.007110 0.001930 -0.008935 -0.000031 7C 2s 0.027074 -0.005628 -0.022935 0.007151 -0.031174 0.000684 7C 3s -0.114896 -0.061828 0.281773 -0.293379 0.580958 -0.145423 7C 4s -0.097421 0.508730 -0.772616 1.397128 -2.336601 0.821880 7C 5s -0.438421 0.787888 -0.031265 0.191360 -0.158325 0.414413 7C 1pz -0.026042 0.004971 0.148030 -0.126743 0.054801 -0.026158 7C 1px 0.021921 -0.096113 -0.163714 0.281112 -0.107597 -0.079525 7C 1py -0.011929 -0.046459 -0.003322 0.038811 0.042288 0.036057 7C 2pz -0.605300 -0.146193 -0.946234 1.215515 -0.306461 0.226355 7C 2px -0.366030 1.072279 1.215853 -2.572850 0.487608 0.340407 7C 2py -0.487390 0.340205 -0.011112 -0.237720 -0.155188 0.161521 7C 3pz -0.564981 0.463900 -1.134150 0.569085 -1.140924 0.377758 7C 3px -0.569681 -0.345653 0.809649 -0.313286 0.473186 0.069214 7C 3py -0.510189 0.167752 -0.394691 0.207992 -0.600156 0.226652 7C 1dz2 -0.014031 0.004454 -0.009624 -0.005602 0.012550 -0.014278 7C 1dxz -0.010744 0.000502 -0.003807 -0.001822 -0.014744 -0.001920 7C 1dyz -0.004624 0.005516 -0.009271 0.003013 -0.000186 0.006560 7C 1dx2y2 0.018019 -0.007546 0.009887 0.006108 -0.035569 0.000392 7C 1dxy -0.002214 -0.003117 -0.029288 -0.002233 0.010951 -0.007205 7C 2dz2 -0.326453 0.304778 -0.009211 -0.359909 -0.062188 0.087980 7C 2dxz -0.253355 -0.537764 -0.223886 0.752505 0.256387 -0.066687 7C 2dyz -0.404947 0.090974 -0.172637 0.166660 -0.060158 0.138275 7C 2dx2y2 0.248801 0.026085 -0.050933 0.056663 -0.039142 -0.047842 7C 2dxy 0.035601 -0.324411 -0.008522 0.707373 -0.237021 0.047122 7C 1f0 -0.007270 0.004120 0.011646 -0.000738 -0.032162 0.017386 7C 1f+1 -0.007322 0.003690 -0.009463 0.018597 -0.021556 0.014546 7C 1f-1 -0.033891 0.004731 -0.011817 0.033252 -0.024662 0.022483 7C 1f+2 0.023051 -0.022211 -0.012314 0.000139 0.015803 -0.007722 7C 1f-2 -0.019212 0.011184 0.003436 0.014561 -0.012896 -0.001242 7C 1f+3 0.001469 -0.013576 -0.009758 0.029627 -0.026993 0.017141 7C 1f-3 0.007673 -0.003674 -0.015929 0.022441 -0.011511 -0.004943 8C 1s 0.003343 0.009306 -0.012442 -0.011243 0.012642 -0.028713 8C 2s 0.015836 0.031167 -0.044535 -0.038335 0.040933 -0.101097 8C 3s -0.296838 -0.374344 0.610868 0.478121 -0.487502 1.281759 8C 4s 1.149497 1.045989 -1.929338 -1.384249 1.326973 -3.760826 8C 5s -0.188436 -0.205300 -0.493716 0.389206 -1.196222 -0.185647 8C 1pz 0.080177 0.023102 -0.040853 -0.029400 0.091461 -0.149231 8C 1px 0.055151 -0.001326 0.150427 0.015272 0.025950 -0.132899 8C 1py -0.090619 -0.036320 0.101556 0.071143 0.009302 0.358481 8C 2pz -0.585724 -0.138008 0.397145 0.273595 -0.314593 0.914771 8C 2px -0.417227 -0.215312 -0.230040 -0.073933 -0.204408 0.754082 8C 2py 0.808812 0.256045 -0.861613 -0.527004 0.074965 -1.913855 8C 3pz 0.062863 0.017325 0.062670 -0.004224 0.147704 0.175436 8C 3px -0.028148 -0.103418 0.399980 0.160836 -0.078351 0.209462 8C 3py -0.020826 0.039840 -0.230339 -0.082361 -0.054667 -0.448088 8C 1dz2 0.001878 0.006119 -0.008730 -0.003623 0.019794 0.002051 8C 1dxz -0.007624 -0.011562 -0.007304 -0.000044 -0.009759 -0.001923 8C 1dyz 0.014977 -0.004562 -0.004565 0.001355 -0.010043 -0.002758 8C 1dx2y2 0.011859 -0.007947 -0.003821 -0.003172 -0.011907 -0.015520 8C 1dxy 0.000937 0.016246 -0.038563 -0.014558 0.004736 -0.001508 8C 2dz2 -0.081039 -0.051678 0.118877 0.041523 0.014814 0.198283 8C 2dxz 0.120719 0.096960 -0.260164 -0.068513 0.023210 -0.259776 8C 2dyz -0.331855 -0.065095 0.231059 0.213515 -0.092266 0.749035 8C 2dx2y2 -0.280418 -0.033404 0.194235 0.169706 -0.071417 0.495687 8C 2dxy -0.287006 -0.163850 0.195814 0.049590 -0.117462 0.470725 8C 1f0 0.012194 0.002805 0.010239 0.011669 0.012706 0.016821 8C 1f+1 -0.003790 -0.003638 -0.020003 -0.006238 -0.011631 0.013290 8C 1f-1 -0.005909 -0.004702 -0.018522 -0.008804 -0.008124 -0.002830 8C 1f+2 -0.012830 0.009502 -0.039728 -0.026125 0.025163 0.012827 8C 1f-2 0.003933 0.010946 -0.004100 -0.004474 0.027342 -0.008032 8C 1f+3 -0.001355 -0.007348 0.033722 0.005825 0.002840 0.019524 8C 1f-3 0.002448 0.006270 0.011793 -0.004526 0.010278 -0.008611 9C 1s 0.002575 -0.002618 0.008133 -0.013103 0.014392 -0.005386 9C 2s 0.013607 -0.011189 0.028745 -0.044449 0.048622 -0.019340 9C 3s -0.244504 0.144118 -0.391335 0.540483 -0.577946 0.254052 9C 4s 0.991073 -0.373098 1.234139 -1.547811 1.557004 -0.757425 9C 5s 0.913149 -0.710429 0.541377 0.354679 0.243514 -0.299085 9C 1pz 0.108313 -0.043875 -0.049256 -0.102026 0.179145 -0.111540 9C 1px 0.027461 0.036695 -0.091760 0.007964 -0.041169 -0.001748 9C 1py 0.116064 -0.034628 0.058195 -0.021376 -0.102629 -0.004554 9C 2pz -0.860999 0.230549 -0.142191 0.636113 -0.739356 0.522465 9C 2px -0.139294 0.037062 0.122318 -0.085037 -0.020645 0.036333 9C 2py -0.742565 0.207090 -0.462020 0.223358 0.203790 0.142662 9C 3pz -0.251459 0.108711 -0.233335 0.089319 -0.174486 0.093989 9C 3px -0.014673 0.240088 -0.291131 0.179625 -0.242891 0.087416 9C 3py -0.103124 0.106597 -0.089265 0.115691 -0.218815 0.119103 9C 1dz2 -0.010961 0.002402 0.007269 0.001008 0.017383 0.002183 9C 1dxz 0.001687 0.003216 -0.020058 0.010668 -0.027041 -0.000171 9C 1dyz -0.011710 0.005221 -0.012697 0.006125 -0.009804 0.003945 9C 1dx2y2 0.012568 0.002724 0.011289 0.004102 -0.015094 0.004399 9C 1dxy -0.002113 0.006025 -0.037152 0.001172 0.008032 -0.005886 9C 2dz2 0.276552 -0.031997 0.065918 -0.196190 0.122202 -0.137438 9C 2dxz 0.163728 -0.134058 0.159715 -0.011449 0.052827 -0.052420 9C 2dyz 0.415117 -0.101556 0.149103 -0.233367 0.142914 -0.171768 9C 2dx2y2 -0.116903 0.038946 -0.051618 0.098893 -0.115389 0.068023 9C 2dxy 0.041093 -0.079557 -0.000432 -0.030734 0.189580 -0.051796 9C 1f0 -0.001839 -0.006553 -0.029488 -0.003361 0.026430 -0.014488 9C 1f+1 0.006077 0.002287 0.016375 0.001469 -0.031212 0.009029 9C 1f-1 0.011969 0.001145 -0.020007 0.012848 -0.029949 0.004774 9C 1f+2 -0.016005 0.006139 0.018213 -0.011001 0.004958 0.001562 9C 1f-2 0.005880 0.002516 -0.019192 -0.002335 0.010124 -0.007974 9C 1f+3 -0.017479 0.009303 -0.004766 -0.021022 0.039159 -0.007295 9C 1f-3 0.003118 0.001477 0.009763 -0.006409 0.003410 0.000594 10H 1s -0.016962 -0.016142 0.029470 -0.028346 -0.021420 -0.026658 10H 2s 0.192018 0.110794 -0.044554 0.030933 0.068824 0.101682 10H 3s -0.074947 -0.182180 -0.002861 0.098071 0.024201 -0.055024 10H 1pz 0.053241 0.040063 0.153635 0.063073 0.083617 0.013663 10H 1px -0.007799 -0.001748 0.071878 0.011295 0.056116 0.002871 10H 1py 0.041409 0.013701 0.059086 0.049744 0.148280 0.053692 11H 1s -0.011570 -0.009555 0.053297 -0.014327 -0.077644 -0.023658 11H 2s 0.063949 -0.027947 -0.444784 0.018482 0.266838 0.119353 11H 3s 0.015022 0.049024 0.268235 0.182284 0.043540 0.009497 11H 1pz 0.081488 0.029558 -0.022259 0.046119 0.043878 0.054584 11H 1px -0.005985 0.003641 0.018542 -0.003919 0.096275 0.019850 11H 1py 0.060289 0.026497 0.057817 0.059456 0.126948 0.073924 12H 1s -0.048966 -0.017860 -0.056017 0.023686 0.071970 0.014414 12H 2s 0.308652 0.041028 0.070295 -0.149261 -0.638416 -0.091706 12H 3s -0.132908 -0.015476 -0.086116 0.234855 0.399686 0.101264 12H 1pz 0.059168 0.047353 0.015925 0.057542 -0.011114 -0.004257 12H 1px 0.017494 0.003430 0.026369 -0.029385 -0.042727 -0.027458 12H 1py 0.062913 0.026267 0.004247 0.008405 -0.041414 0.005873 13H 1s -0.003679 -0.022398 0.036846 -0.024380 0.027113 -0.030573 13H 2s 0.115612 0.078877 -0.289897 0.033450 -0.183458 0.020561 13H 3s -0.101603 -0.083668 0.158078 0.092030 0.202320 0.168757 13H 1pz 0.039963 -0.013219 -0.093431 0.039489 -0.001737 0.087845 13H 1px 0.016910 -0.048303 -0.087102 0.027574 0.063706 0.111635 13H 1py -0.037101 0.069168 0.168198 -0.080325 -0.117306 -0.112664 14H 1s -0.035621 0.020641 -0.066275 0.035059 -0.037591 -0.030379 14H 2s 0.243053 0.095656 0.542268 -0.201106 0.060810 0.087402 14H 3s -0.042892 -0.075185 -0.319810 0.202667 0.145109 0.313296 14H 1pz 0.052299 -0.014686 0.005141 0.023275 0.014608 0.102312 14H 1px 0.033711 0.011599 0.032136 -0.032933 0.008989 0.016750 14H 1py -0.073835 -0.000192 0.035947 -0.052632 -0.076730 -0.191984 15H 1s -0.006423 0.004079 0.027537 -0.020657 0.017926 -0.083845 15H 2s 0.037612 0.091149 0.035213 0.016376 -0.266861 0.338683 15H 3s 0.070444 -0.103986 -0.109637 0.137304 0.373652 0.292621 15H 1pz 0.075829 -0.037268 -0.048010 0.040195 0.028122 0.152893 15H 1px 0.007115 -0.066373 -0.139170 0.028062 0.007734 0.045617 15H 1py -0.085427 0.009318 0.020679 -0.031894 0.013956 -0.178280 16H 1s 0.049804 0.127585 -0.018441 0.041825 -0.106515 0.065495 16H 2s -0.313253 -0.313846 0.126266 -0.182400 0.398419 -0.163228 16H 3s -0.067265 0.163081 -0.017728 -0.076813 -0.212966 0.144028 16H 1pz 0.123677 -0.245661 -0.009704 -0.028924 0.153593 -0.082054 16H 1px 0.212158 -0.267894 -0.014892 -0.030486 0.086696 -0.034159 16H 1py -0.281095 0.211245 0.025745 -0.036725 -0.093698 -0.013281 17H 1s 0.110350 0.082197 -0.023709 0.030724 -0.104893 0.036130 17H 2s -0.413741 -0.345800 0.104800 -0.067251 0.406876 -0.015367 17H 3s 0.241102 -0.052872 -0.019733 -0.116646 -0.049123 -0.041247 17H 1pz 0.343248 -0.268128 -0.042283 0.027548 0.103724 -0.017409 17H 1px -0.007498 0.049354 -0.000061 -0.011335 -0.073422 -0.036404 17H 1py 0.159915 -0.347534 -0.014679 -0.037180 0.161921 -0.068037 18H 1s 0.173943 -0.074042 -0.024139 -0.023676 -0.106978 -0.034452 18H 2s -0.626232 0.317161 0.106689 0.043621 0.416773 0.008413 18H 3s 0.271228 0.070432 -0.018214 0.121522 -0.037495 0.038602 18H 1pz -0.391416 -0.285406 0.045396 0.026530 -0.098887 -0.012688 18H 1px 0.016181 0.054438 -0.002535 -0.013463 0.072327 -0.035866 18H 1py -0.114180 -0.365743 0.017804 -0.031650 -0.165482 -0.062680 19H 1s 0.110371 -0.124945 -0.016748 -0.034428 -0.108773 -0.062736 19H 2s -0.503247 0.300314 0.116573 0.151290 0.405753 0.150594 19H 3s -0.052702 -0.170913 -0.015575 0.088106 -0.208061 -0.135384 19H 1pz -0.102751 -0.262202 0.011602 -0.021457 -0.158245 -0.077222 19H 1px -0.186553 -0.283247 0.019255 -0.029842 -0.087616 -0.031018 19H 1py 0.334636 0.224524 -0.026845 -0.036139 0.088934 -0.017360 20H 1s -0.001382 -0.005192 0.031037 0.018857 0.022859 0.083223 20H 2s 0.032035 -0.089031 0.022712 0.000558 -0.284893 -0.337605 20H 3s 0.066386 0.110597 -0.112047 -0.155628 0.366664 -0.293938 20H 1pz -0.074079 -0.044130 0.052056 0.040327 -0.022780 0.151863 20H 1px 0.004536 -0.065413 0.138821 0.027032 -0.002992 0.044152 20H 1py 0.083251 0.016883 -0.025076 -0.029200 -0.020682 -0.177439 21H 1s -0.031118 -0.025842 -0.066738 -0.032045 -0.037528 0.031756 21H 2s 0.248941 -0.065752 0.546523 0.195027 0.068103 -0.093449 21H 3s -0.039488 0.067467 -0.331868 -0.206432 0.131438 -0.313627 21H 1pz -0.052687 -0.019252 -0.003443 0.022539 -0.010030 0.101517 21H 1px -0.030655 0.007563 -0.031868 -0.032690 -0.010917 0.016532 21H 1py 0.072496 0.007247 -0.040985 -0.053478 0.071148 -0.190702 22H 1s -0.006266 0.022993 0.036523 0.021503 0.027798 0.028868 22H 2s 0.117745 -0.076073 -0.283832 -0.013978 -0.184419 -0.012622 22H 3s -0.107622 0.078641 0.151118 -0.109008 0.194515 -0.172527 22H 1pz -0.034296 -0.016528 0.096087 0.038145 0.005912 0.086362 22H 1px -0.005273 -0.050946 0.090091 0.030520 -0.060306 0.111105 22H 1py 0.021816 0.072958 -0.169626 -0.084405 0.111020 -0.111382 23H 1s -0.042020 0.012554 -0.057169 -0.026500 0.068369 -0.014089 23H 2s 0.319112 -0.011545 0.076727 0.184691 -0.621079 0.098227 23H 3s -0.144956 0.008012 -0.084703 -0.260231 0.392556 -0.106597 23H 1pz -0.055066 0.043147 -0.020492 0.057956 0.008492 -0.001478 23H 1px -0.014844 0.003324 -0.030650 -0.029835 0.039383 -0.026398 23H 1py -0.061256 0.020985 -0.005568 0.005053 0.039496 0.005715 24H 1s -0.004594 0.009187 0.054882 0.016556 -0.080714 0.024023 24H 2s 0.065063 0.030349 -0.455154 -0.016581 0.277832 -0.114236 24H 3s 0.006491 -0.034938 0.275442 -0.191221 0.033453 -0.014160 24H 1pz -0.077481 0.022892 0.021134 0.045606 -0.045329 0.054747 24H 1px 0.015115 0.004184 -0.014621 0.000013 -0.093399 0.021170 24H 1py -0.047264 0.020554 -0.056808 0.064913 -0.125451 0.077006 25H 1s -0.024353 0.016093 0.028451 0.027601 -0.016921 0.025680 25H 2s 0.220578 -0.108815 -0.039996 -0.026553 0.051351 -0.100866 25H 3s -0.105435 0.189660 -0.009095 -0.102988 0.027663 0.055446 25H 1pz -0.034113 0.035372 -0.153284 0.070987 -0.081522 0.020115 25H 1px 0.023587 -0.002991 -0.072385 0.016494 -0.056879 0.006006 25H 1py -0.026376 0.010354 -0.060421 0.058115 -0.149071 0.058065 26O 1s -0.002271 -0.001962 -0.000192 -0.002697 -0.003551 -0.002500 26O 2s -0.007752 -0.006885 0.003227 -0.002476 -0.006451 -0.006925 26O 3s 0.054061 0.059972 -0.083068 -0.109235 -0.052670 0.020162 26O 4s -0.175574 -0.193109 0.364091 0.613066 0.420233 0.034927 26O 5s -0.460273 -0.903588 0.462896 2.352536 0.343694 -0.191933 26O 1pz 0.031526 -0.016413 -0.031788 0.006780 -0.030890 0.006802 26O 1px -0.015762 -0.000115 0.008219 0.004761 0.019509 -0.027657 26O 1py -0.014270 -0.000723 -0.038577 0.002109 -0.024849 -0.002246 26O 2pz 0.015319 0.056918 0.037048 -0.068396 0.009284 0.015152 26O 2px 0.048218 0.281913 -0.204284 -0.546054 -0.203141 0.009471 26O 2py 0.024360 0.135866 -0.062691 -0.243975 -0.034307 0.033844 26O 3pz 0.245063 -0.559354 -0.687102 0.122267 -0.718831 -0.170034 26O 3px 0.672616 0.111311 -0.532814 -1.410177 -0.761784 0.095150 26O 3py 0.436319 -0.343877 -0.563796 -0.375950 -0.701473 -0.016660 26O 1dz2 -0.001940 -0.003699 0.002356 0.006224 0.001601 0.001284 26O 1dxz 0.003347 -0.001659 -0.000527 -0.006589 -0.002145 0.001803 26O 1dyz -0.001110 -0.001420 -0.001619 0.001823 -0.002003 -0.003883 26O 1dx2y2 0.000939 0.003000 -0.001453 -0.001821 -0.000842 0.000843 26O 1dxy 0.002099 0.001695 -0.001892 -0.005419 -0.004707 0.001080 26O 2dz2 -0.025738 0.023429 -0.071330 -0.068508 0.091319 0.023204 26O 2dxz -0.050003 0.056320 0.154768 -0.136910 0.240402 0.090609 26O 2dyz 0.003128 0.005248 0.072810 0.141135 0.019451 -0.089857 26O 2dx2y2 0.019406 -0.074955 -0.132132 0.296478 0.100573 0.037144 26O 2dxy 0.058170 -0.020191 0.179467 0.165591 0.004176 0.007070 26O 1f0 -0.000523 0.000405 0.002626 0.001654 0.006636 -0.001821 26O 1f+1 -0.001259 -0.003353 0.006909 0.012755 0.009534 -0.001952 26O 1f-1 -0.002481 -0.001887 0.003610 -0.001614 0.004431 0.001670 26O 1f+2 -0.000492 -0.000847 -0.006556 0.001793 -0.003979 -0.001776 26O 1f-2 -0.001423 0.002422 -0.004211 -0.005698 -0.003036 0.001117 26O 1f+3 -0.001804 -0.003310 -0.000058 0.006350 0.003547 -0.000125 26O 1f-3 0.000137 -0.007582 0.013953 0.019035 0.011087 0.001053 27O 1s -0.003284 0.001268 0.002378 -0.001363 -0.002043 -0.008156 27O 2s -0.012940 0.005703 0.002828 0.001770 -0.003663 -0.023191 27O 3s 0.112850 -0.055116 0.069528 -0.135620 -0.029234 0.075682 27O 4s -0.362114 0.198323 -0.430959 0.653894 0.215621 0.014787 27O 5s -0.583110 0.080139 -0.470651 2.748000 0.725320 -0.426923 27O 1pz 0.003121 -0.004761 0.005178 -0.005232 -0.032879 -0.010213 27O 1px 0.011050 -0.021516 0.004251 0.003975 0.014664 -0.048984 27O 1py -0.022109 0.003059 -0.043183 -0.002038 0.049432 0.004197 27O 2pz -0.006200 -0.000748 -0.061035 0.030447 -0.003361 0.008378 27O 2px 0.203760 -0.116267 0.248048 -0.655342 -0.123494 0.017852 27O 2py -0.044696 0.023751 0.003076 0.142653 0.013234 -0.013019 27O 3pz -0.094935 0.460187 0.391001 0.313103 -0.112617 -0.066120 27O 3px 0.701056 0.009989 0.722573 -1.521472 -0.909317 0.161112 27O 3py -0.217511 -0.480976 -0.769840 0.051810 0.583173 0.150293 27O 1dz2 -0.002433 0.000441 -0.004009 0.004208 0.002431 0.001158 27O 1dxz 0.000058 0.000559 -0.000444 -0.002362 -0.002397 -0.001154 27O 1dyz 0.002961 0.000999 -0.000402 -0.005319 -0.000834 0.005798 27O 1dx2y2 0.004141 0.000105 0.001758 -0.006379 -0.001159 0.004207 27O 1dxy -0.003134 0.000087 -0.001545 0.006178 0.007472 0.002554 27O 2dz2 0.018720 -0.016854 0.060176 -0.188526 0.054564 -0.032207 27O 2dxz 0.026239 -0.078612 -0.038930 -0.138073 0.107425 -0.067092 27O 2dyz 0.052129 -0.132878 -0.078008 -0.185672 -0.086914 0.025335 27O 2dx2y2 -0.039616 0.092214 0.005519 0.252546 0.058701 0.087447 27O 2dxy 0.076856 0.038843 0.289663 -0.045355 -0.011863 0.071352 27O 1f0 0.001665 -0.002895 0.000278 0.000679 0.001854 -0.000865 27O 1f+1 -0.003979 -0.001242 -0.008142 0.016322 0.006081 0.001625 27O 1f-1 0.000832 -0.001599 -0.000081 -0.001645 -0.000795 0.000468 27O 1f+2 -0.000205 -0.000753 -0.000588 0.008727 0.000862 -0.000001 27O 1f-2 -0.001752 0.002966 0.000876 0.003127 -0.000593 -0.000969 27O 1f+3 -0.006102 -0.001418 -0.009745 0.015710 0.006047 0.003455 27O 1f-3 0.002675 0.001729 0.015270 -0.012217 -0.004991 -0.004123 28O 1s -0.002892 -0.000930 -0.002397 -0.002291 -0.002628 0.000579 28O 2s -0.008016 0.001102 -0.010424 -0.010745 -0.007537 0.001984 28O 3s 0.024377 -0.084283 0.098571 0.129813 0.017514 -0.017242 28O 4s -0.010986 0.486954 -0.203456 -0.472688 0.132176 0.024855 28O 5s -0.270302 0.448469 -1.496886 -2.186477 -0.517981 0.366304 28O 1pz -0.001192 -0.040195 -0.015544 -0.030924 -0.009431 -0.010846 28O 1px 0.043524 0.022586 -0.026970 0.032377 -0.001464 -0.015029 28O 1py 0.027126 -0.013466 0.014103 -0.005923 -0.042547 -0.000708 28O 2pz 0.048587 -0.215197 0.125839 0.335864 -0.035793 -0.055277 28O 2px 0.015981 0.261375 -0.191769 -0.382048 -0.019183 0.042300 28O 2py 0.041873 -0.032832 0.001559 0.058121 -0.018517 -0.010692 28O 3pz 0.081906 0.006737 0.632002 0.424968 0.059203 -0.112109 28O 3px -0.292854 0.305209 -0.505573 -1.237259 0.188183 0.202236 28O 3py -0.063687 0.082954 0.194537 -0.208434 -0.120262 -0.007885 28O 1dz2 0.000543 -0.000738 -0.000079 0.000673 0.000441 0.000559 28O 1dxz -0.003069 0.002023 -0.005527 -0.007288 0.001826 0.003151 28O 1dyz -0.001635 0.000402 0.002683 -0.004603 -0.002221 -0.000289 28O 1dx2y2 -0.000250 -0.002008 0.000758 0.002306 0.004880 0.003527 28O 1dxy -0.002933 0.000428 -0.000434 -0.005710 0.002002 0.001022 28O 2dz2 0.044291 0.013805 -0.076192 -0.014869 -0.180430 -0.014830 28O 2dxz -0.087598 -0.123711 0.100541 0.126380 0.105789 0.028706 28O 2dyz -0.034663 0.074856 -0.183518 -0.141718 -0.001234 0.043301 28O 2dx2y2 0.087073 0.105337 0.025503 -0.178546 0.196967 0.107287 28O 2dxy -0.000362 0.032527 0.162778 -0.148531 -0.019658 0.036090 28O 1f0 0.001992 0.003712 -0.002189 -0.006056 -0.004834 -0.000292 28O 1f+1 0.002645 0.006072 -0.005778 -0.006739 -0.006104 -0.000190 28O 1f-1 0.000160 -0.003800 0.001972 0.007915 -0.001591 -0.003427 28O 1f+2 -0.001305 -0.006390 0.013227 0.010289 0.000026 -0.003362 28O 1f-2 0.000132 0.001973 -0.004868 -0.001237 -0.001310 -0.000101 28O 1f+3 -0.000635 -0.004364 0.006705 0.008109 -0.002422 -0.003550 28O 1f-3 -0.000333 0.000528 -0.004829 0.000501 0.002716 0.003972 29O 1s 0.007279 -0.001012 -0.000340 -0.003970 -0.006646 0.001003 29O 2s 0.021879 0.001308 -0.001478 -0.008427 -0.021238 0.004651 29O 3s -0.105982 -0.104409 0.017112 -0.030980 0.132561 -0.060475 29O 4s -0.070682 0.538373 -0.047760 0.425463 -0.102710 0.232216 29O 5s 1.112096 -0.488251 -0.063420 -1.052841 -0.863888 -0.158421 29O 1pz -0.051120 0.055063 0.011071 0.004429 -0.020740 0.019280 29O 1px -0.023601 0.029640 -0.003922 0.037996 -0.001366 0.011085 29O 1py 0.031960 0.061888 -0.009728 0.046487 -0.035035 0.004756 29O 2pz 0.054232 -0.083408 -0.011519 -0.007087 0.053840 -0.070086 29O 2px 0.092195 0.002781 -0.002880 -0.033405 -0.065595 -0.004631 29O 2py -0.090425 -0.138883 0.019506 -0.059008 0.124446 -0.058089 29O 3pz -0.219084 0.240559 0.083869 -0.256165 -0.168062 -0.037095 29O 3px -0.432965 0.544837 -0.050359 0.471557 0.215846 0.113731 29O 3py -0.169865 0.003400 0.136871 0.006914 0.142907 0.144259 29O 1dz2 0.003987 -0.000930 -0.001074 0.000425 -0.001377 -0.000865 29O 1dxz 0.001230 0.001122 -0.000190 0.001402 -0.001966 0.000867 29O 1dyz 0.004303 -0.005378 -0.000992 -0.000199 0.002624 -0.000760 29O 1dx2y2 -0.004834 -0.001583 0.000136 -0.000218 0.002700 -0.000094 29O 1dxy 0.001720 -0.001905 0.001802 -0.000483 0.002134 -0.001091 29O 2dz2 -0.004552 0.185931 -0.026251 0.049824 -0.076268 0.000626 29O 2dxz 0.090153 0.037153 -0.038732 0.052309 -0.058852 0.074405 29O 2dyz -0.123565 0.116893 -0.006380 0.046830 -0.059942 0.095739 29O 2dx2y2 0.013238 -0.128124 0.037159 -0.013780 0.026078 -0.003425 29O 2dxy -0.038210 -0.063964 0.019480 -0.058522 0.000836 -0.052916 29O 1f0 -0.009780 -0.012294 0.001823 -0.004556 0.012887 -0.005964 29O 1f+1 0.005212 0.005366 -0.000910 0.001725 -0.006293 0.001353 29O 1f-1 -0.003451 -0.016986 0.002116 -0.004977 0.012133 -0.008975 29O 1f+2 0.005193 0.006632 -0.000290 0.003191 -0.008034 0.003705 29O 1f-2 -0.010947 -0.004288 0.001267 -0.002675 0.006421 -0.001618 29O 1f+3 0.008757 0.004449 -0.000876 0.002664 -0.006479 0.001428 29O 1f-3 0.006104 0.001509 -0.002754 0.002005 -0.004621 0.000202 30O 1s -0.000872 0.002356 0.003492 -0.001194 -0.004876 -0.003845 30O 2s -0.000462 0.004863 0.013260 -0.008240 -0.014211 -0.007870 30O 3s -0.040732 0.024101 -0.102167 0.134469 0.045773 -0.060230 30O 4s 0.181410 -0.230013 0.194850 -0.557608 0.141234 0.412534 30O 5s 0.918302 -0.491802 1.313076 -2.278369 -0.305024 1.801177 30O 1pz -0.020284 -0.013176 0.017657 -0.027378 0.003398 -0.042791 30O 1px 0.042376 -0.009426 0.018172 0.006330 -0.013120 0.060407 30O 1py 0.015275 -0.007952 0.002554 0.027402 0.031231 0.013783 30O 2pz -0.093849 0.097429 -0.085415 0.273368 -0.016545 -0.221047 30O 2px 0.175101 -0.140311 0.177887 -0.379179 -0.008660 0.315789 30O 2py 0.079919 -0.105325 0.088509 -0.296767 0.006910 0.235708 30O 3pz 0.032319 -0.011107 -0.352300 0.536428 -0.137117 -0.596533 30O 3px 0.099289 -0.479541 0.344078 -1.246734 0.105935 0.477854 30O 3py 0.123070 0.345983 0.383706 -0.449419 0.275205 0.702120 30O 1dz2 0.001707 -0.000127 0.001864 0.003294 0.001228 -0.001070 30O 1dxz 0.000061 -0.000892 0.004451 -0.005765 0.001313 0.002911 30O 1dyz 0.001224 -0.003921 0.001141 0.000628 0.000157 0.004405 30O 1dx2y2 -0.000213 -0.001216 -0.001192 0.000460 0.004432 0.002866 30O 1dxy 0.000618 0.000147 -0.002487 0.009568 -0.001312 -0.004978 30O 2dz2 -0.024238 0.136973 -0.099865 0.199634 0.015906 -0.066709 30O 2dxz -0.089135 0.085480 0.042827 0.126768 0.076415 -0.248438 30O 2dyz -0.074306 -0.028554 -0.108180 0.193051 0.097688 -0.117065 30O 2dx2y2 0.000353 -0.123832 -0.224118 -0.110004 0.103496 0.193548 30O 2dxy 0.138548 0.013913 0.115571 -0.060302 0.033751 0.110493 30O 1f0 0.004902 -0.000778 0.004894 -0.014300 -0.002123 0.015401 30O 1f+1 0.001446 0.002866 -0.001947 -0.000170 -0.002972 0.003105 30O 1f-1 0.002625 -0.000618 0.003030 -0.001995 0.001445 0.001532 30O 1f+2 -0.000198 0.002762 -0.001882 0.000679 0.000572 -0.004353 30O 1f-2 -0.006306 0.003928 -0.010251 0.011072 0.003494 -0.014314 30O 1f+3 0.001723 0.000190 0.005007 0.002624 -0.000687 0.001677 30O 1f-3 -0.005798 0.000866 -0.008294 0.008549 -0.002624 -0.015366 31O 1s -0.000321 -0.002428 0.003581 0.001388 -0.004704 0.003779 31O 2s 0.000954 -0.004781 0.013503 0.008870 -0.013723 0.007624 31O 3s -0.044967 -0.030549 -0.102294 -0.137884 0.044555 0.062255 31O 4s 0.183950 0.261812 0.191660 0.558327 0.137514 -0.418451 31O 5s 0.957801 0.575664 1.301666 2.310095 -0.265571 -1.833289 31O 1pz 0.020310 -0.011592 -0.018723 -0.026227 -0.006874 -0.042883 31O 1px -0.041401 -0.013021 -0.015960 0.005041 0.017457 0.060444 31O 1py -0.013673 -0.010484 -0.001908 0.028488 -0.028722 0.014009 31O 2pz 0.110341 0.111028 0.084376 0.276101 0.016737 -0.223997 31O 2px -0.192665 -0.162560 -0.175107 -0.384807 0.009660 0.319287 31O 2py -0.099621 -0.118556 -0.087288 -0.299413 -0.007715 0.238450 31O 3pz -0.076243 -0.008225 0.343630 0.532675 0.157330 -0.604234 31O 3px -0.051233 -0.497494 -0.354035 -1.244291 -0.145050 0.494574 31O 3py -0.098646 0.330702 -0.374217 -0.443991 -0.291676 0.710633 31O 1dz2 0.001849 0.000288 0.001865 -0.003332 0.001008 0.001083 31O 1dxz 0.000382 0.000983 0.004479 0.005687 0.001519 -0.003048 31O 1dyz 0.000437 0.003946 0.001000 -0.000598 -0.000041 -0.004436 31O 1dx2y2 -0.001321 0.001170 -0.001169 -0.000697 0.004520 -0.002941 31O 1dxy 0.000086 -0.000266 -0.002524 -0.009532 -0.001634 0.005099 31O 2dz2 -0.008169 -0.144756 -0.102189 -0.196667 0.007728 0.069295 31O 2dxz -0.080625 -0.094776 0.047812 -0.134203 0.081456 0.246774 31O 2dyz -0.070247 0.020333 -0.109446 -0.201301 0.094749 0.117248 31O 2dx2y2 -0.022987 0.126098 -0.223978 0.106029 0.103328 -0.195003 31O 2dxy 0.147900 -0.001553 0.112464 0.061095 0.029428 -0.111776 31O 1f0 -0.006081 -0.001500 -0.004783 -0.014613 0.001966 0.015479 31O 1f+1 -0.002064 0.002772 0.002021 -0.000434 0.003054 0.003073 31O 1f-1 -0.002711 -0.001005 -0.003082 -0.001960 -0.001429 0.001565 31O 1f+2 0.000011 0.002727 0.001712 0.000739 -0.000800 -0.004392 31O 1f-2 0.007131 0.004721 0.010046 0.011466 -0.003734 -0.014418 31O 1f+3 -0.001904 -0.000001 -0.004905 0.002565 0.000910 0.001596 31O 1f-3 0.006583 0.001567 0.008136 0.008542 0.002584 -0.015488 32O 1s 0.006741 0.001437 -0.000271 0.004371 -0.006424 -0.000892 32O 2s 0.022842 -0.000006 -0.001286 0.009736 -0.020750 -0.004269 32O 3s -0.168018 0.097535 0.016418 0.022244 0.133812 0.057523 32O 4s 0.248268 -0.538679 -0.049962 -0.416415 -0.124931 -0.227722 32O 5s 0.811583 0.545960 -0.047119 1.105309 -0.804919 0.172686 32O 1pz 0.055711 0.058109 -0.012457 0.003646 0.019709 0.018316 32O 1px 0.016455 0.030659 0.003745 0.037579 0.002253 0.010093 32O 1py -0.067034 0.061015 0.009002 0.043657 0.037650 0.003776 32O 2pz -0.052583 -0.085827 0.013504 -0.002640 -0.051593 -0.066233 32O 2px -0.106724 -0.001982 0.002759 -0.036857 0.064514 -0.004513 32O 2py 0.168753 -0.134843 -0.018640 -0.050853 -0.128152 -0.056693 32O 3pz 0.307166 0.258818 -0.083537 -0.253905 0.162122 -0.042758 32O 3px 0.160916 0.566565 0.054292 0.486890 -0.183229 0.113918 32O 3py 0.162434 0.020921 -0.134916 0.016072 -0.138137 0.149371 32O 1dz2 0.004322 0.000962 -0.001066 -0.000261 -0.001581 0.000785 32O 1dxz 0.001717 -0.001112 -0.000162 -0.001313 -0.002100 -0.000860 32O 1dyz 0.004446 0.005775 -0.001039 0.000100 0.002634 0.000715 32O 1dx2y2 -0.006037 0.001112 0.000123 -0.000016 0.002605 -0.000038 32O 1dxy 0.002006 0.002067 0.001814 0.000393 0.002203 0.001004 32O 2dz2 0.069358 -0.183340 -0.020390 -0.044149 -0.075511 0.004180 32O 2dxz 0.158762 -0.028885 -0.044455 -0.047869 -0.063271 -0.072134 32O 2dyz -0.110150 -0.131877 -0.006781 -0.045450 -0.066970 -0.092080 32O 2dx2y2 -0.044993 0.130952 0.034068 0.011709 0.025157 0.004901 32O 2dxy -0.111277 0.062562 0.020213 0.058434 0.008581 0.053019 32O 1f0 0.016219 -0.010617 -0.001688 -0.003461 -0.012338 -0.005187 32O 1f+1 -0.008865 0.005464 0.000937 0.001417 0.006845 0.001461 32O 1f-1 0.011883 -0.017159 -0.002064 -0.004222 -0.012830 -0.008778 32O 1f+2 -0.009279 0.006945 0.000400 0.002847 0.008771 0.003839 32O 1f-2 0.016204 -0.003144 -0.001286 -0.002157 -0.006179 -0.001421 32O 1f+3 -0.011601 0.003791 0.000784 0.002116 0.006361 0.001263 32O 1f-3 -0.008029 0.001002 0.002765 0.001658 0.004592 0.000003 33O 1s -0.002181 0.000636 -0.002450 0.002457 -0.002594 -0.000473 33O 2s -0.006283 -0.002022 -0.010423 0.011316 -0.007034 -0.001706 33O 3s 0.023678 0.088692 0.095045 -0.133071 0.006198 0.017121 33O 4s -0.033700 -0.494020 -0.184925 0.471149 0.181447 -0.034520 33O 5s -0.359039 -0.473178 -1.432112 2.244929 -0.309760 -0.341103 33O 1pz 0.000932 -0.039880 0.015687 -0.031510 0.008711 -0.012421 33O 1px -0.043676 0.019845 0.025830 0.030980 -0.000119 -0.015514 33O 1py -0.025474 -0.016240 -0.013966 -0.008442 0.042440 -0.001275 33O 2pz -0.053107 -0.220696 -0.115529 0.336513 0.068842 -0.057704 33O 2px -0.005346 0.264453 0.179244 -0.388523 -0.020771 0.044301 33O 2py -0.040669 -0.036122 -0.000516 0.056865 0.023758 -0.011532 33O 3pz -0.069421 0.005710 -0.601899 0.440064 -0.015843 -0.111080 33O 3px 0.397551 0.332967 0.477721 -1.235306 -0.289697 0.207409 33O 3py 0.104363 0.092295 -0.188864 -0.203468 0.107436 -0.008288 33O 1dz2 0.001427 0.000756 -0.000189 -0.000648 0.000349 -0.000502 33O 1dxz -0.003121 -0.002335 -0.005320 0.007252 0.002491 -0.003201 33O 1dyz -0.000535 -0.000497 0.002697 0.004625 -0.002036 0.000236 33O 1dx2y2 -0.000727 0.002055 0.000633 -0.002598 0.004563 -0.003584 33O 1dxy -0.003039 -0.000661 -0.000281 0.005540 0.002423 -0.001113 33O 2dz2 0.067183 -0.008640 -0.073255 0.029594 -0.181228 0.020789 33O 2dxz -0.086924 0.120247 0.091775 -0.134777 0.087029 -0.028398 33O 2dyz -0.033522 -0.081617 -0.182710 0.145408 0.007918 -0.041044 33O 2dx2y2 0.050359 -0.099512 0.030052 0.170482 0.215054 -0.113372 33O 2dxy -0.026797 -0.030883 0.163663 0.143543 -0.010463 -0.040250 33O 1f0 -0.002089 0.003540 0.001901 -0.006441 0.004125 -0.000298 33O 1f+1 -0.003090 0.005876 0.005408 -0.007292 0.005282 -0.000264 33O 1f-1 0.000618 -0.003919 -0.001819 0.007852 0.002085 -0.003553 33O 1f+2 0.001210 -0.006430 -0.012749 0.010657 0.001239 -0.003228 33O 1f-2 0.000253 0.002054 0.004902 -0.001478 0.001091 -0.000187 33O 1f+3 0.000643 -0.004403 -0.006418 0.008183 0.003263 -0.003591 33O 1f-3 -0.000349 0.000568 0.004833 0.000509 -0.002702 0.003924 34O 1s -0.003287 -0.001665 0.002513 0.001350 -0.001928 0.008155 34O 2s -0.013154 -0.007160 0.003168 -0.002004 -0.003499 0.023249 34O 3s 0.120252 0.066473 0.069480 0.140229 -0.025829 -0.077300 34O 4s -0.406469 -0.231475 -0.436027 -0.672836 0.199970 -0.006223 34O 5s -0.631178 -0.157401 -0.491757 -2.808096 0.614989 0.427363 34O 1pz -0.005087 -0.004235 -0.005511 -0.007407 0.031669 -0.010319 34O 1px -0.016865 -0.022433 -0.004025 0.003929 -0.013834 -0.048238 34O 1py 0.026960 0.005462 0.043809 0.000307 -0.048737 0.004375 34O 2pz 0.006062 0.000179 0.061099 0.030676 0.004191 0.007942 34O 2px -0.248027 -0.139738 -0.254584 -0.668070 0.103504 0.023687 34O 2py 0.057630 0.029519 -0.000977 0.145483 -0.008079 -0.013359 34O 3pz 0.060972 0.473150 -0.385071 0.310915 0.118659 -0.066721 34O 3px -0.681166 -0.046687 -0.734540 -1.579866 0.837560 0.163579 34O 3py 0.247099 -0.475679 0.765759 0.078925 -0.563139 0.144828 34O 1dz2 -0.002697 -0.000685 -0.004017 -0.004332 0.002370 -0.001124 34O 1dxz -0.000273 -0.000600 -0.000359 0.002494 -0.002187 0.001209 34O 1dyz 0.003402 -0.000668 -0.000421 0.005369 -0.000644 -0.005851 34O 1dx2y2 0.004729 0.000321 0.001745 0.006585 -0.001057 -0.004208 34O 1dxy -0.002722 -0.000332 -0.001659 -0.006600 0.007097 -0.002631 34O 2dz2 0.024152 0.021366 0.063147 0.188195 0.064293 0.030567 34O 2dxz 0.010981 0.083499 -0.033738 0.130875 0.115534 0.065175 34O 2dyz 0.043284 0.136375 -0.074200 0.190839 -0.074677 -0.026120 34O 2dx2y2 -0.044277 -0.094405 0.003279 -0.257023 0.049823 -0.083594 34O 2dxy 0.102775 -0.030370 0.287051 0.046596 -0.012269 -0.073743 34O 1f0 -0.000919 -0.003018 -0.000218 0.000756 -0.001667 -0.000870 34O 1f+1 0.005435 -0.000859 0.008377 0.016855 -0.005332 0.001544 34O 1f-1 -0.000766 -0.001581 0.000067 -0.001819 0.000746 0.000459 34O 1f+2 0.000858 -0.000612 0.000714 0.008766 -0.000435 -0.000070 34O 1f-2 0.001714 0.003207 -0.000835 0.003118 0.000631 -0.001041 34O 1f+3 0.007347 -0.000863 0.009922 0.016146 -0.005398 0.003320 34O 1f-3 -0.004325 0.001405 -0.015473 -0.012487 0.004394 -0.003925 35O 1s -0.002110 0.001777 -0.000281 0.002873 -0.003592 0.002665 35O 2s -0.007083 0.006449 0.002865 0.002707 -0.006985 0.007381 35O 3s 0.050812 -0.060166 -0.079296 0.113718 -0.041326 -0.021640 35O 4s -0.172242 0.200323 0.351771 -0.641936 0.368721 -0.036125 35O 5s -0.518834 0.914393 0.400054 -2.383975 0.167483 0.219312 35O 1pz -0.035485 -0.017633 0.032771 0.003100 0.032042 0.005313 35O 1px 0.015554 0.001967 -0.008909 0.005475 -0.019696 -0.026935 35O 1py 0.012539 0.002218 0.038692 0.001041 0.025783 -0.003223 35O 2pz -0.021175 0.057697 -0.039064 -0.066547 -0.014132 0.017760 35O 2px -0.067978 0.291305 0.191108 -0.559341 0.159412 0.012694 35O 2py -0.034872 0.140659 0.057446 -0.247264 0.015212 0.036490 35O 3pz -0.324693 -0.577661 0.686326 0.066859 0.731891 -0.199194 35O 3px -0.628765 0.090407 0.505886 -1.464480 0.658448 0.093496 35O 3py -0.476396 -0.365779 0.558153 -0.432285 0.678973 -0.031707 35O 1dz2 -0.002411 0.003668 0.002143 -0.006312 0.001048 -0.001218 35O 1dxz 0.003086 0.001798 -0.000480 0.006799 -0.001804 -0.001786 35O 1dyz -0.001527 0.001328 -0.001708 -0.001692 -0.002214 0.003988 35O 1dx2y2 0.001340 -0.002951 -0.001355 0.001952 -0.000562 -0.000814 35O 1dxy 0.002165 -0.001704 -0.001806 0.005754 -0.004365 -0.001033 35O 2dz2 -0.023148 -0.027670 -0.069630 0.066371 0.096284 -0.022487 35O 2dxz -0.084935 -0.061236 0.151814 0.118501 0.244397 -0.097739 35O 2dyz 0.017219 -0.001881 0.070880 -0.143725 0.011805 0.088895 35O 2dx2y2 0.037137 0.079898 -0.138656 -0.296392 0.081194 -0.031156 35O 2dxy 0.051123 0.030024 0.175839 -0.168102 -0.007953 -0.007036 35O 1f0 0.001193 0.000405 -0.002616 0.002137 -0.006569 -0.001694 35O 1f+1 0.002872 -0.003479 -0.006652 0.013432 -0.008684 -0.001847 35O 1f-1 0.002039 -0.001734 -0.003598 -0.001252 -0.004404 0.001807 35O 1f+2 -0.000349 -0.000742 0.006552 0.001484 0.004169 -0.002004 35O 1f-2 0.001130 0.002744 0.004100 -0.005886 0.002663 0.001085 35O 1f+3 0.001866 -0.003287 0.000279 0.006502 -0.003033 -0.000221 35O 1f-3 0.001679 -0.008081 -0.013500 0.019810 -0.009744 0.001138 354 355 356 357 358 359 1.81542 1.82247 1.83197 1.83435 1.85496 1.86314 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s -0.001257 0.001812 0.000193 -0.000250 -0.002454 -0.000977 0Rh 2s 0.002462 -0.006870 0.000272 0.000777 0.007713 0.004528 0Rh 3s -0.005877 0.006440 0.001298 -0.000993 -0.009698 -0.002968 0Rh 4s -0.011221 0.033322 -0.001667 -0.003724 -0.036859 -0.022172 0Rh 5s -0.013160 -0.029966 0.012107 0.001829 0.014922 0.026751 0Rh 6s 0.141627 -0.094908 -0.045360 0.017309 0.197144 0.035583 0Rh 7s -1.092474 0.630593 0.438446 -0.094937 -1.702530 -0.271047 0Rh 8s 0.127248 -0.365992 -0.296429 -0.010562 0.281923 -0.047022 0Rh 1pz -0.010461 0.011193 -0.004496 -0.019693 0.012137 0.006899 0Rh 1px -0.013200 0.012350 0.008324 -0.007424 -0.012324 -0.004111 0Rh 1py -0.004061 0.013367 -0.019413 0.004112 0.004000 0.000365 0Rh 2pz 0.035483 -0.038083 0.015064 0.066609 -0.040622 -0.023549 0Rh 2px 0.043728 -0.042453 -0.027696 0.025116 0.040651 0.014276 0Rh 2py 0.013587 -0.045805 0.065502 -0.013875 -0.013602 -0.000906 0Rh 3pz -0.001421 0.004872 0.002479 0.001073 -0.012686 0.004352 0Rh 3px 0.020654 0.014455 -0.010984 0.000188 0.023497 -0.007569 0Rh 3py 0.003573 0.012714 0.005742 -0.000414 0.001195 -0.006360 0Rh 4pz -0.214700 0.211589 -0.097338 -0.414753 0.318513 0.125668 0Rh 4px -0.356610 0.200230 0.219815 -0.155096 -0.349791 -0.058125 0Rh 4py -0.099339 0.226331 -0.435443 0.084039 0.079319 0.026762 0Rh 5pz 0.346035 -0.340174 0.140559 0.670982 -0.594908 -0.192441 0Rh 5px 0.624347 -0.289325 -0.384318 0.250331 0.627469 0.089168 0Rh 5py 0.168251 -0.341800 0.743243 -0.125271 -0.129243 -0.032429 0Rh 6pz -0.036733 0.847126 -0.609204 -0.867273 0.157389 0.286946 0Rh 6px -1.053275 -0.467871 0.232727 -0.393027 -1.721144 0.020898 0Rh 6py -0.077715 0.223061 -0.728699 0.380661 0.518509 0.266158 0Rh 1dz2 0.017635 -0.002558 -0.000737 -0.025562 -0.005889 0.001847 0Rh 1dxz 0.001312 -0.010931 -0.000165 -0.013018 -0.007372 0.000557 0Rh 1dyz -0.013307 -0.005127 0.000920 0.010957 -0.001177 0.001627 0Rh 1dx2y2 0.021215 0.009757 -0.006178 -0.018554 0.007455 -0.005177 0Rh 1dxy 0.004319 -0.004758 -0.006810 -0.000058 0.005082 0.001481 0Rh 2dz2 -0.003014 0.001849 0.001156 0.003362 0.003799 -0.000526 0Rh 2dxz 0.002624 0.001443 -0.000810 0.003890 0.000093 -0.000536 0Rh 2dyz 0.004199 0.001954 -0.000405 -0.002784 0.000454 -0.000975 0Rh 2dx2y2 -0.003796 -0.002470 0.000042 0.003440 -0.003951 0.000911 0Rh 2dxy -0.000156 -0.000125 0.005080 -0.000293 -0.002068 0.000281 0Rh 3dz2 -0.030349 -0.001772 -0.003218 0.048482 -0.001731 -0.002203 0Rh 3dxz -0.014445 0.020278 0.003825 0.015308 0.017787 0.001007 0Rh 3dyz 0.014359 0.004000 -0.000810 -0.014883 0.000898 0.000255 0Rh 3dx2y2 -0.035747 -0.013018 0.014944 0.030892 -0.001543 0.008739 0Rh 3dxy -0.010035 0.011927 -0.005121 0.001522 -0.003716 -0.004700 0Rh 4dz2 -0.051623 0.026437 0.017067 0.060058 0.052607 -0.009222 0Rh 4dxz 0.032980 0.031304 -0.008916 0.061147 0.005460 -0.008282 0Rh 4dyz 0.068610 0.031360 -0.001020 -0.046007 0.007598 -0.015552 0Rh 4dx2y2 -0.063254 -0.042191 0.005053 0.058068 -0.054476 0.016507 0Rh 4dxy -0.002577 0.007058 0.073102 -0.005550 -0.029958 -0.000480 0Rh 5dz2 0.189348 -0.100652 -0.075243 -0.211391 -0.189096 0.046822 0Rh 5dxz -0.123940 -0.187570 0.020534 -0.246016 -0.018575 0.028400 0Rh 5dyz -0.295788 -0.155048 -0.046905 0.183412 -0.030547 0.084764 0Rh 5dx2y2 0.232774 0.187561 -0.023387 -0.222332 0.194376 -0.062855 0Rh 5dxy -0.011941 -0.107855 -0.297633 0.033470 0.116152 0.047592 0Rh 1f0 0.060482 0.049076 -0.052994 0.077305 0.023879 0.013584 0Rh 1f+1 0.033465 0.012898 -0.021124 0.049651 -0.056086 0.019649 0Rh 1f-1 -0.054243 0.121292 -0.092740 -0.071902 -0.000830 0.064773 0Rh 1f+2 0.015202 -0.054056 0.012828 0.099658 0.061675 -0.012757 0Rh 1f-2 -0.042829 -0.008347 -0.018548 0.030036 0.010130 0.048878 0Rh 1f+3 -0.022828 -0.003322 -0.038708 -0.063630 -0.046953 0.014439 0Rh 1f-3 0.022271 0.048777 0.087746 0.004206 -0.008621 -0.008638 1Rh 1s -0.001274 -0.001778 0.000152 -0.000225 -0.002442 0.000969 1Rh 2s 0.002518 0.006816 0.000414 0.000671 0.007668 -0.004509 1Rh 3s -0.005940 -0.006276 0.001147 -0.000909 -0.009652 0.002932 1Rh 4s -0.011491 -0.033090 -0.002358 -0.003209 -0.036641 0.022088 1Rh 5s -0.012971 0.030543 0.012650 0.001331 0.014759 -0.026825 1Rh 6s 0.142637 0.090483 -0.043083 0.015920 0.196366 -0.034548 1Rh 7s -1.102177 -0.594416 0.425574 -0.081292 -1.691508 0.260723 1Rh 8s 0.125380 0.360770 -0.282623 -0.015466 0.276923 0.045570 1Rh 1pz 0.010258 0.011235 0.005169 0.019632 -0.011766 0.006870 1Rh 1px 0.013140 0.012056 -0.007868 0.007271 0.012662 -0.004117 1Rh 1py 0.004126 0.012669 0.019812 -0.003952 -0.004272 0.001041 1Rh 2pz -0.034787 -0.038218 -0.017348 -0.066414 0.039363 -0.023455 1Rh 2px -0.043528 -0.041480 0.026135 -0.024583 -0.041802 0.014307 1Rh 2py -0.013818 -0.043451 -0.066876 0.013326 0.014527 -0.003199 1Rh 3pz 0.001216 0.004660 -0.002302 -0.000839 0.012775 0.004451 1Rh 3px -0.020615 0.014904 0.011376 -0.000565 -0.023367 -0.007771 1Rh 3py -0.003354 0.013013 -0.005270 0.000579 -0.001334 -0.006332 1Rh 4pz 0.211327 0.213279 0.110389 0.412729 -0.311276 0.124573 1Rh 4px 0.355202 0.192363 -0.211920 0.153372 0.356352 -0.057518 1Rh 4py 0.099920 0.210191 0.441920 -0.081282 -0.084320 0.041148 1Rh 5pz -0.341105 -0.343411 -0.160929 -0.667915 0.584002 -0.190047 1Rh 5px -0.621641 -0.275481 0.372578 -0.248245 -0.638315 0.087751 1Rh 5py -0.169232 -0.313872 -0.753143 0.120816 0.136971 -0.056907 1Rh 6pz 0.037088 0.865784 0.653506 0.857611 -0.156027 0.284675 1Rh 6px 1.034141 -0.496677 -0.232373 0.411628 1.757636 0.031548 1Rh 6py 0.073231 0.223318 0.737175 -0.376620 -0.538594 0.287472 1Rh 1dz2 0.017800 0.003207 -0.000654 -0.025520 -0.006004 -0.001809 1Rh 1dxz 0.001242 0.011328 0.000147 -0.013024 -0.006875 -0.000671 1Rh 1dyz -0.013352 0.005249 0.001287 0.011004 -0.001690 -0.001610 1Rh 1dx2y2 0.021185 -0.009913 -0.006493 -0.018661 0.007511 0.005139 1Rh 1dxy 0.004452 0.004918 -0.006578 0.000185 0.004930 -0.001256 1Rh 2dz2 -0.003038 -0.002008 0.001069 0.003317 0.003843 0.000483 1Rh 2dxz 0.002619 -0.001553 -0.000837 0.003884 0.000012 0.000559 1Rh 2dyz 0.004187 -0.001972 -0.000553 -0.002850 0.000752 0.000855 1Rh 2dx2y2 -0.003814 0.002566 0.000113 0.003455 -0.003872 -0.000942 1Rh 2dxy -0.000178 -0.000082 0.005052 -0.000309 -0.001958 -0.000317 1Rh 3dz2 -0.030652 0.000868 -0.003038 0.048578 -0.001660 0.002299 1Rh 3dxz -0.014262 -0.020782 0.003185 0.015351 0.016910 -0.000823 1Rh 3dyz 0.014523 -0.004202 -0.001051 -0.014704 0.000824 0.000233 1Rh 3dx2y2 -0.035595 0.012996 0.015406 0.031093 -0.002043 -0.008515 1Rh 3dxy -0.010259 -0.011428 -0.005553 0.000996 -0.003850 0.004308 1Rh 4dz2 -0.052059 -0.029041 0.015673 0.059325 0.053841 0.008489 1Rh 4dxz 0.033062 -0.032960 -0.009634 0.061022 0.003999 0.008655 1Rh 4dyz 0.068505 -0.032023 -0.003699 -0.047220 0.013431 0.013625 1Rh 4dx2y2 -0.063482 0.043389 0.006241 0.058294 -0.053081 -0.016912 1Rh 4dxy -0.003096 -0.009972 0.072213 -0.006035 -0.027654 -0.000200 1Rh 5dz2 0.191438 0.111201 -0.066953 -0.206829 -0.205512 -0.042677 1Rh 5dxz -0.125063 0.193349 0.025274 -0.245281 -0.011937 -0.029837 1Rh 5dyz -0.296082 0.161468 -0.028376 0.193295 -0.080529 -0.073678 1Rh 5dx2y2 0.232859 -0.190835 -0.027799 -0.222366 0.184849 0.065129 1Rh 5dxy -0.008479 0.119696 -0.288557 0.037997 0.095456 -0.044799 1Rh 1f0 -0.060474 0.047438 0.053847 -0.076190 -0.026189 0.015107 1Rh 1f+1 -0.034130 0.012772 0.021909 -0.050438 0.058213 0.018592 1Rh 1f-1 0.053429 0.119740 0.098680 0.071550 -0.000060 0.068063 1Rh 1f+2 -0.014479 -0.056199 -0.016898 -0.097920 -0.067387 -0.011888 1Rh 1f-2 0.042557 -0.006787 0.016739 -0.030666 -0.008701 0.047353 1Rh 1f+3 0.022274 -0.005446 0.039983 0.062805 0.048962 0.014279 1Rh 1f-3 -0.021167 0.052582 -0.085744 -0.003517 0.006072 -0.006289 2C 1s -0.011432 0.026476 -0.000883 0.001964 -0.016152 -0.001175 2C 2s -0.039666 0.092360 -0.005652 0.006071 -0.054481 -0.006833 2C 3s 0.528917 -1.177213 0.121490 -0.080115 0.720212 0.144250 2C 4s -1.622086 3.512697 -0.485322 0.296728 -2.170874 -0.507184 2C 5s 0.105561 0.125517 -0.735370 -0.199644 0.960585 -0.156501 2C 1pz 0.018963 -0.313813 0.114027 0.001912 0.133549 0.150464 2C 1px -0.049679 -0.112138 -0.008133 0.061088 0.104828 -0.022008 2C 1py 0.173144 -0.226928 -0.041633 0.026120 0.155883 -0.187600 2C 2pz -0.381790 1.697101 -0.610570 0.154252 -0.782642 -0.734099 2C 2px -0.033376 0.519705 -0.045270 -0.245125 -0.233514 0.018803 2C 2py -0.794717 1.215469 -0.023481 -0.108088 -0.687842 0.522898 2C 3pz -0.114283 0.395134 -0.084596 -0.066929 -0.133023 0.000322 2C 3px -0.140286 0.128024 -0.044530 0.009406 -0.094749 -0.047411 2C 3py -0.034977 0.219573 -0.152807 0.144437 0.031768 -0.138489 2C 1dz2 0.009198 -0.008986 0.009325 -0.027551 0.005898 0.018431 2C 1dxz 0.002493 0.006611 0.004841 -0.013644 -0.031630 0.020210 2C 1dyz -0.005647 0.000050 0.013956 0.004238 -0.004071 0.018823 2C 1dx2y2 0.003115 0.009738 0.008977 -0.030987 -0.002737 0.033200 2C 1dxy 0.028002 0.005143 -0.018934 0.015892 -0.008278 -0.039612 2C 2dz2 -0.142864 0.496015 -0.158276 0.053034 -0.288979 -0.194952 2C 2dxz -0.172131 0.220194 -0.061117 -0.011363 0.000723 0.011043 2C 2dyz -0.310693 0.807141 -0.167693 -0.014080 -0.428065 -0.080697 2C 2dx2y2 0.088819 -0.196095 0.074325 -0.044421 0.078136 0.037460 2C 2dxy -0.002326 0.156971 -0.092173 -0.015982 0.011317 -0.127177 2C 1f0 -0.021002 0.008472 0.026979 -0.042909 -0.022543 0.072886 2C 1f+1 0.013917 0.018012 -0.017434 -0.002801 -0.012511 -0.047374 2C 1f-1 -0.010953 -0.017042 -0.006397 0.021649 0.001502 -0.033436 2C 1f+2 0.020993 -0.005358 -0.007629 -0.007041 0.019541 -0.004735 2C 1f-2 -0.026746 0.007911 0.008563 0.000553 -0.019031 0.026071 2C 1f+3 -0.020375 0.008115 0.011342 -0.024032 -0.001241 0.060351 2C 1f-3 -0.006905 0.015650 -0.003183 -0.003116 -0.008113 -0.004020 3C 1s -0.006975 -0.004578 0.001104 -0.003261 -0.016777 0.005299 3C 2s -0.023929 -0.016877 0.004194 -0.011971 -0.058450 0.019909 3C 3s 0.281776 0.201213 -0.099592 0.179006 0.764936 -0.311609 3C 4s -0.705707 -0.531668 0.438710 -0.641511 -2.282564 1.067888 3C 5s -0.125163 -0.376348 0.397094 -0.059530 -0.201469 0.099291 3C 1pz -0.053963 0.008906 -0.077764 0.087714 0.088033 -0.134604 3C 1px -0.076859 0.028387 0.010901 -0.006753 0.134845 -0.184218 3C 1py -0.187736 -0.126837 -0.080161 -0.006560 -0.191663 -0.053336 3C 2pz 0.160663 -0.099279 0.317329 -0.369198 -0.538204 0.631773 3C 2px 0.210981 -0.125483 0.248943 -0.039406 -0.500440 0.756703 3C 2py 0.626189 0.481877 0.134196 0.277747 1.026551 -0.123177 3C 3pz -0.022977 -0.082515 -0.080446 -0.096780 -0.099248 -0.040508 3C 3px -0.122757 -0.074673 0.055569 -0.022340 -0.043144 0.032830 3C 3py 0.090139 0.132975 -0.161976 0.010698 0.397744 -0.199068 3C 1dz2 0.023162 0.004574 0.013957 -0.017015 0.003728 0.016954 3C 1dxz -0.019116 -0.005155 -0.036779 -0.024427 -0.011344 -0.045435 3C 1dyz 0.000613 0.001115 0.005224 0.000381 -0.006564 0.015706 3C 1dx2y2 0.003869 -0.002226 -0.029360 -0.022154 -0.007914 -0.014451 3C 1dxy -0.010596 0.001732 0.013309 0.005738 0.021510 -0.012902 3C 2dz2 0.117767 0.059254 0.019633 -0.000217 0.073346 0.043250 3C 2dxz -0.113194 -0.060193 0.057982 -0.065266 -0.094520 0.007534 3C 2dyz 0.134704 0.141091 0.013634 0.110744 0.444531 -0.248936 3C 2dx2y2 0.041264 0.092061 -0.003374 0.141243 0.292154 -0.130363 3C 2dxy 0.018597 0.098081 -0.150833 0.092950 0.211651 -0.218270 3C 1f0 -0.032772 -0.014280 -0.039069 0.006614 -0.006561 -0.049895 3C 1f+1 0.013523 0.000659 0.004884 -0.003266 -0.012084 0.032958 3C 1f-1 0.013200 0.007725 0.025334 0.013992 -0.004411 0.043173 3C 1f+2 0.001680 -0.017997 -0.014991 0.005037 -0.004189 0.008934 3C 1f-2 -0.011346 -0.004916 -0.015221 0.005178 0.013104 -0.032394 3C 1f+3 -0.040978 -0.008635 -0.019239 -0.010322 -0.014663 -0.058146 3C 1f-3 0.000139 0.000000 -0.015661 -0.022192 0.010181 -0.031237 4C 1s 0.007041 -0.003954 0.000562 0.001771 0.008345 0.004296 4C 2s 0.024733 -0.015391 0.001383 0.005813 0.030879 0.014428 4C 3s -0.451828 0.858884 -0.089974 -0.104164 -0.729754 -0.306565 4C 4s 1.885274 -4.437778 0.437950 0.341039 3.252142 1.182169 4C 5s 0.153681 -0.546573 0.407793 0.287602 0.404824 0.588038 4C 1pz 0.080819 0.052579 -0.047286 -0.082545 0.031835 -0.029140 4C 1px 0.115933 -0.124624 0.117856 0.112096 -0.022815 -0.022413 4C 1py 0.054147 -0.050443 0.050060 -0.017611 0.008220 0.084868 4C 2pz -0.409380 0.378647 0.038731 0.524354 -0.683676 -0.010526 4C 2px -1.050395 1.541910 -1.082184 -0.973724 0.489228 0.004288 4C 2py -0.509238 0.870189 -0.510329 -0.001753 -0.203486 -0.368664 4C 3pz -0.555398 1.307395 -0.351632 0.187576 -0.137875 0.053262 4C 3px -0.034796 1.088162 -0.404376 0.015101 -0.653424 -0.082085 4C 3py -0.230224 1.127323 -0.353815 -0.021068 -0.329565 -0.013611 4C 1dz2 -0.016235 0.014769 0.001714 0.021783 -0.009492 -0.001677 4C 1dxz -0.017231 0.005325 0.013774 -0.000755 -0.023665 0.026745 4C 1dyz -0.000590 0.019582 0.015916 -0.019274 -0.025233 0.028200 4C 1dx2y2 -0.004888 -0.021168 0.002599 0.004160 0.014929 0.016652 4C 1dxy 0.022977 -0.012035 -0.012226 0.018443 0.011746 -0.033116 4C 2dz2 0.269357 -0.516770 0.236124 0.179158 -0.210621 -0.034649 4C 2dxz -0.324748 0.253417 -0.233490 -0.336562 0.348116 -0.209011 4C 2dyz 0.222475 -0.637267 0.141517 0.032118 0.249425 0.031966 4C 2dx2y2 0.103423 -0.048078 -0.125048 0.173466 0.302011 -0.097411 4C 2dxy -0.271715 0.049802 -0.084182 -0.364918 0.458857 0.440454 4C 1f0 0.015247 0.028960 -0.011959 -0.031011 -0.008651 -0.029445 4C 1f+1 0.010537 0.033623 -0.002696 -0.032267 -0.036761 0.008425 4C 1f-1 -0.030479 0.094263 -0.017522 -0.013260 -0.053801 -0.001698 4C 1f+2 0.024089 -0.079323 0.009341 -0.006293 0.034949 0.015737 4C 1f-2 -0.008417 0.049595 -0.002598 0.024409 -0.030004 -0.025732 4C 1f+3 0.017685 -0.017674 0.003238 -0.004562 -0.002966 -0.016191 4C 1f-3 -0.023262 0.002297 0.003697 0.031758 -0.003081 -0.022681 5C 1s 0.005406 -0.001492 -0.004333 -0.000574 0.009083 -0.000778 5C 2s 0.019185 -0.004340 -0.014406 -0.001420 0.033066 -0.003805 5C 3s -0.417863 -0.149187 0.100057 -0.023232 -0.831444 0.243518 5C 4s 1.784675 0.976030 -0.181336 0.265150 3.724979 -1.251260 5C 5s 0.436035 0.581220 0.196470 -0.122789 0.574774 -0.440169 5C 1pz 0.012048 -0.056728 0.003039 -0.022735 -0.020735 0.034490 5C 1px 0.031479 -0.039575 -0.098501 0.167060 0.093889 -0.019059 5C 1py 0.055473 0.003041 0.096167 -0.034627 0.025555 0.076363 5C 2pz 0.017631 0.072337 -0.171543 0.129891 -0.117286 0.032201 5C 2px -0.356481 -0.186814 1.017415 -1.284035 -0.671891 0.237683 5C 2py -0.178017 0.040086 -0.288353 0.247807 0.312523 -0.508354 5C 3pz -0.261860 -0.140028 0.431105 0.067959 -0.479248 0.151528 5C 3px -0.176701 -0.380590 -0.336497 -0.492783 -1.195388 0.254155 5C 3py 0.296204 0.400728 -0.457530 0.264223 1.074662 -0.238424 5C 1dz2 -0.005735 0.010486 0.022684 0.019035 -0.004942 0.017453 5C 1dxz -0.032650 -0.002713 -0.019491 0.000419 -0.013568 -0.035544 5C 1dyz 0.016293 0.002222 -0.000402 -0.009857 0.010393 0.008026 5C 1dx2y2 0.002075 0.007250 -0.005830 0.010636 0.020269 -0.005501 5C 1dxy -0.011011 -0.003257 -0.006504 -0.003676 0.014352 -0.020840 5C 2dz2 -0.154553 -0.057916 -0.244974 0.078529 -0.279737 -0.028158 5C 2dxz -0.011160 0.000201 0.375990 0.031615 -0.026378 0.370260 5C 2dyz -0.165581 -0.165270 0.226580 -0.187394 -0.330821 0.203924 5C 2dx2y2 0.110096 -0.001839 0.432041 -0.226582 0.098140 0.168287 5C 2dxy 0.211445 0.035022 -0.400184 0.165880 -0.104744 0.221142 5C 1f0 0.026320 0.012671 0.005867 -0.009808 0.026946 0.013867 5C 1f+1 0.007529 0.017651 -0.009320 -0.029106 -0.013011 -0.020939 5C 1f-1 -0.017451 -0.010570 -0.008472 0.020352 -0.005525 -0.019913 5C 1f+2 0.006013 0.014934 0.002992 0.029785 0.047966 -0.023388 5C 1f-2 0.017069 0.032515 0.025700 0.009823 0.060677 -0.010676 5C 1f+3 -0.022675 -0.014384 -0.004747 0.013078 -0.036281 0.031825 5C 1f-3 0.043462 0.027444 -0.007519 -0.027963 0.030709 -0.001133 6C 1s 0.005306 0.001608 -0.004293 -0.000550 0.008921 0.000789 6C 2s 0.018822 0.004653 -0.014306 -0.001360 0.032601 0.003877 6C 3s -0.398629 0.143374 0.108006 -0.023485 -0.834326 -0.243454 6C 4s 1.688772 -0.956634 -0.227749 0.261217 3.761023 1.253557 6C 5s 0.413622 -0.567784 0.163691 -0.110346 0.557178 0.436870 6C 1pz -0.012142 -0.056657 -0.004170 0.023095 0.016556 0.031995 6C 1px -0.031970 -0.040761 0.095487 -0.166721 -0.078252 -0.015069 6C 1py -0.055839 0.006358 -0.097691 0.032411 -0.022942 0.082371 6C 2pz -0.023864 0.079524 0.163786 -0.136518 0.184345 0.056847 6C 2px 0.350828 -0.163294 -0.993597 1.289546 0.479089 0.192617 6C 2py 0.190488 0.015592 0.299679 -0.235829 -0.357304 -0.545601 6C 3pz 0.247345 -0.092873 -0.429107 -0.064711 0.482561 0.137821 6C 3px 0.163434 -0.378371 0.315101 0.478713 1.220368 0.254505 6C 3py -0.271934 0.341890 0.466094 -0.264777 -1.088295 -0.220437 6C 1dz2 -0.005683 -0.011224 0.022495 0.018999 -0.004371 -0.017796 6C 1dxz -0.032696 0.003403 -0.019662 0.000488 -0.014517 0.035567 6C 1dyz 0.016278 -0.002619 -0.000267 -0.009860 0.010806 -0.007992 6C 1dx2y2 0.001845 -0.008179 -0.005646 0.010283 0.021374 0.005694 6C 1dxy -0.011124 0.002413 -0.006288 -0.003846 0.014658 0.021071 6C 2dz2 -0.146951 0.062813 -0.235431 0.081297 -0.309588 0.018477 6C 2dxz -0.009582 -0.003934 0.371079 0.026584 0.020262 -0.359734 6C 2dyz -0.154201 0.152673 0.225871 -0.191030 -0.299726 -0.192679 6C 2dx2y2 0.110316 -0.017723 0.420003 -0.227274 0.142131 -0.156760 6C 2dxy 0.215397 -0.031796 -0.383903 0.175922 -0.189368 -0.247441 6C 1f0 -0.025621 0.012209 -0.005274 0.010037 -0.030022 0.013522 6C 1f+1 -0.007953 0.017463 0.009626 0.029175 0.015159 -0.021091 6C 1f-1 0.017501 -0.010428 0.008210 -0.020202 0.004626 -0.020221 6C 1f+2 -0.004601 0.014869 -0.002833 -0.029919 -0.047298 -0.022855 6C 1f-2 -0.015443 0.033153 -0.025044 -0.010070 -0.059094 -0.010404 6C 1f+3 0.021320 -0.013771 0.003506 -0.013148 0.038942 0.032240 6C 1f-3 -0.042504 0.026560 0.008630 0.027903 -0.030469 -0.000538 7C 1s 0.007052 0.003361 0.000665 0.001837 0.008410 -0.004211 7C 2s 0.024745 0.013410 0.001820 0.006089 0.031039 -0.014150 7C 3s -0.453095 -0.827143 -0.118154 -0.114412 -0.723234 0.298546 7C 4s 1.888919 4.322448 0.588174 0.391683 3.215130 -1.148825 7C 5s 0.163065 0.527837 0.410885 0.294261 0.400915 -0.572187 7C 1pz -0.078303 0.055389 0.049036 0.077386 -0.030992 -0.024480 7C 1px -0.116399 -0.124690 -0.118331 -0.109443 0.010753 -0.024086 7C 1py -0.054099 -0.045153 -0.051770 0.017512 -0.009599 0.089651 7C 2pz 0.389511 0.347926 -0.010720 -0.484519 0.635724 -0.040754 7C 2px 1.062687 1.522783 1.088755 0.940957 -0.328693 0.025141 7C 2py 0.504644 0.835786 0.537287 0.006781 0.228324 -0.388332 7C 3pz 0.551114 1.221548 0.395971 -0.183384 0.143903 0.079871 7C 3px 0.038656 1.091313 0.452507 -0.008315 0.622010 -0.072854 7C 3py 0.230575 1.082997 0.396612 0.028299 0.320618 0.003997 7C 1dz2 -0.015917 -0.014896 0.000869 0.021847 -0.009438 0.002055 7C 1dxz -0.017151 -0.006115 0.013592 -0.000771 -0.023636 -0.027194 7C 1dyz -0.000833 -0.020501 0.015037 -0.018796 -0.025534 -0.028814 7C 1dx2y2 -0.005103 0.020133 0.003833 0.004241 0.015009 -0.016887 7C 1dxy 0.023190 0.012336 -0.012127 0.018549 0.012236 0.033685 7C 2dz2 0.265606 0.498743 0.243623 0.174523 -0.172429 0.036953 7C 2dxz -0.330763 -0.243682 -0.224309 -0.316065 0.280527 0.204938 7C 2dyz 0.220988 0.627229 0.164684 0.040792 0.247508 -0.032145 7C 2dx2y2 0.108743 0.050310 -0.128077 0.174885 0.291989 0.108372 7C 2dxy -0.274187 -0.054643 -0.072028 -0.347997 0.402949 -0.448118 7C 1f0 -0.015502 0.026838 0.012844 0.030915 0.008826 -0.029543 7C 1f+1 -0.010499 0.032394 0.003510 0.032528 0.035755 0.009710 7C 1f-1 0.030023 0.092605 0.021163 0.014290 0.051708 -0.000716 7C 1f+2 -0.024690 -0.079493 -0.011580 0.005952 -0.036799 0.015149 7C 1f-2 0.008504 0.048879 0.004290 -0.023903 0.030035 -0.025941 7C 1f+3 -0.018048 -0.018017 -0.002939 0.005278 0.000926 -0.016912 7C 1f-3 0.023629 0.002057 -0.003258 -0.031295 0.000404 -0.022587 8C 1s -0.006495 0.004518 0.001174 -0.003086 -0.017206 -0.005423 8C 2s -0.022225 0.016492 0.004553 -0.011426 -0.059778 -0.020292 8C 3s 0.259572 -0.192051 -0.105551 0.172278 0.780963 0.319018 8C 4s -0.639992 0.492095 0.457003 -0.619946 -2.331655 -1.097631 8C 5s -0.122034 0.300119 0.418344 -0.078139 -0.171048 -0.062399 8C 1pz 0.058859 0.006180 0.079798 -0.085705 -0.090310 -0.140812 8C 1px 0.077429 0.030782 -0.011498 0.006837 -0.134916 -0.182045 8C 1py 0.183021 -0.126831 0.076978 0.007188 0.197697 -0.055637 8C 2pz -0.184545 -0.078290 -0.330050 0.358576 0.554050 0.659092 8C 2px -0.217542 -0.119009 -0.245553 0.040308 0.484126 0.746461 8C 2py -0.597601 0.463199 -0.117471 -0.276304 -1.053254 -0.123445 8C 3pz 0.023378 -0.080719 0.079039 0.098173 0.103814 -0.047424 8C 3px 0.118094 -0.066193 -0.058983 0.024688 0.044072 0.033851 8C 3py -0.079792 0.112208 0.168092 -0.009937 -0.397949 -0.196175 8C 1dz2 0.023123 -0.004628 0.013665 -0.017148 0.004122 -0.016732 8C 1dxz -0.019254 0.006513 -0.036615 -0.024230 -0.012431 0.045321 8C 1dyz 0.000900 -0.002138 0.005827 0.000698 -0.006391 -0.016625 8C 1dx2y2 0.004035 0.002853 -0.029154 -0.022184 -0.008342 0.014611 8C 1dxy -0.010643 -0.002727 0.012874 0.005465 0.022032 0.013576 8C 2dz2 0.114734 -0.056794 0.019006 0.001386 0.071598 -0.045645 8C 2dxz -0.109742 0.054213 0.058119 -0.064341 -0.092279 -0.007583 8C 2dyz 0.121826 -0.134478 0.006193 0.108472 0.457448 0.254976 8C 2dx2y2 0.033496 -0.085499 -0.009330 0.137891 0.305052 0.135225 8C 2dxy 0.010202 -0.088485 -0.152938 0.093377 0.203154 0.217720 8C 1f0 0.032626 -0.015393 0.038963 -0.006243 0.007836 -0.050636 8C 1f+1 -0.013762 0.000292 -0.004665 0.003598 0.011330 0.032414 8C 1f-1 -0.013495 0.008463 -0.025439 -0.014298 0.003548 0.044301 8C 1f+2 -0.001888 -0.018387 0.014419 -0.004598 0.002902 0.008064 8C 1f-2 0.011689 -0.005157 0.015326 -0.005020 -0.012546 -0.033268 8C 1f+3 0.040685 -0.009084 0.019094 0.010342 0.014550 -0.058043 8C 1f-3 0.000111 -0.000447 0.015914 0.022054 -0.010026 -0.031342 9C 1s -0.011225 -0.025805 -0.001866 0.001628 -0.015974 0.001127 9C 2s -0.038992 -0.089945 -0.009021 0.004856 -0.053864 0.006647 9C 3s 0.520759 1.143753 0.164177 -0.063000 0.711657 -0.145625 9C 4s -1.596597 -3.406711 -0.614060 0.240993 -2.144952 0.523793 9C 5s 0.091495 -0.067072 -0.728193 -0.189209 0.946539 0.118141 9C 1pz -0.017728 -0.303998 -0.127574 -0.004051 -0.130725 0.151362 9C 1px 0.052617 -0.114181 0.000242 -0.056809 -0.099921 -0.016969 9C 1py -0.173474 -0.232990 0.035527 -0.029241 -0.156726 -0.192977 9C 2pz 0.371008 1.637331 0.679292 -0.130018 0.762999 -0.746180 9C 2px 0.022898 0.515097 0.071440 0.230281 0.232863 0.001031 9C 2py 0.792781 1.216605 0.059218 0.128756 0.692601 0.534104 9C 3pz 0.112002 0.374855 0.095446 0.072041 0.124929 0.010242 9C 3px 0.142209 0.113321 0.040871 -0.003885 0.104847 -0.047189 9C 3py 0.037098 0.207480 0.163946 -0.144613 -0.028282 -0.137161 9C 1dz2 0.009363 0.008897 0.009569 -0.027354 0.005133 -0.018727 9C 1dxz 0.002093 -0.007542 0.004976 -0.014134 -0.031339 -0.021080 9C 1dyz -0.005685 -0.001379 0.013829 0.004745 -0.004169 -0.019479 9C 1dx2y2 0.002826 -0.010319 0.009057 -0.031001 -0.002919 -0.034419 9C 1dxy 0.027885 -0.004902 -0.019524 0.015460 -0.007574 0.039715 9C 2dz2 -0.138100 -0.479063 -0.177804 0.043940 -0.276991 0.199123 9C 2dxz -0.170210 -0.210420 -0.065291 -0.013125 -0.007458 -0.010858 9C 2dyz -0.308904 -0.792376 -0.197202 -0.025162 -0.422846 0.082212 9C 2dx2y2 0.085799 0.190519 0.083669 -0.038356 0.078056 -0.039865 9C 2dxy -0.001398 -0.148415 -0.097214 -0.016745 0.004917 0.127891 9C 1f0 0.021148 0.009729 -0.027325 0.042919 0.022404 0.074480 9C 1f+1 -0.013811 0.016798 0.018098 0.003138 0.013016 -0.047424 9C 1f-1 0.010299 -0.018922 0.005942 -0.020458 -0.001608 -0.034953 9C 1f+2 -0.021210 -0.004882 0.007446 0.007296 -0.019265 -0.003935 9C 1f-2 0.026665 0.007748 -0.008788 -0.000225 0.019809 0.025719 9C 1f+3 0.020951 0.009459 -0.012164 0.023802 0.002726 0.062284 9C 1f-3 0.007168 0.016040 0.003673 0.002851 0.007734 -0.003011 10H 1s -0.015472 -0.016670 0.023842 -0.040143 0.029751 0.047269 10H 2s 0.023343 -0.026079 -0.177950 0.161223 0.169788 -0.170060 10H 3s -0.018908 0.167326 0.202916 -0.026410 -0.192176 0.132050 10H 1pz -0.144510 0.092727 -0.007274 0.035858 0.008754 0.028010 10H 1px -0.083710 0.066613 -0.000851 -0.003550 -0.018738 0.000537 10H 1py -0.018340 0.084908 -0.065320 0.001981 0.002992 -0.143598 11H 1s -0.037672 -0.047101 0.051037 -0.049534 -0.027736 0.131598 11H 2s 0.372308 0.223514 -0.258919 0.008497 0.016000 -0.549893 11H 3s -0.318306 0.328188 0.167709 -0.062186 -0.462336 0.239503 11H 1pz 0.009823 0.174598 -0.056985 -0.054218 -0.124543 -0.061065 11H 1px 0.028365 -0.035616 -0.038934 0.007634 0.085986 -0.101165 11H 1py -0.004872 0.121349 -0.060815 -0.044346 -0.064015 -0.110519 12H 1s 0.065951 -0.062244 -0.054963 0.112925 0.022592 -0.186610 12H 2s -0.264558 0.279941 0.210368 -0.317162 -0.198666 0.728008 12H 3s -0.000370 0.256158 -0.124215 0.280826 -0.233110 -0.376604 12H 1pz -0.132099 0.200323 -0.011794 0.071344 -0.142352 0.031886 12H 1px -0.066988 0.004729 0.008830 0.022002 0.035466 0.046692 12H 1py -0.041247 0.096133 -0.005162 -0.012945 -0.061889 0.026706 13H 1s 0.042443 0.020717 0.057888 0.030297 0.034158 0.074057 13H 2s -0.138194 -0.076224 -0.080209 -0.178828 0.083525 -0.332850 13H 3s 0.079807 0.040978 0.000835 0.085911 -0.141777 0.138369 13H 1pz -0.082080 -0.034836 -0.003364 0.004249 -0.022464 -0.077762 13H 1px -0.062325 -0.009670 0.054981 -0.009321 -0.043758 -0.012437 13H 1py -0.020540 -0.037979 -0.123113 0.061605 0.005058 -0.082527 14H 1s -0.063491 0.006022 -0.108398 -0.042440 0.013979 -0.170263 14H 2s 0.458945 -0.010796 0.231858 0.018998 -0.118608 0.716620 14H 3s -0.275594 -0.074001 -0.243450 -0.127249 -0.150474 -0.255703 14H 1pz 0.000216 -0.031395 -0.024071 0.002075 -0.086932 0.056765 14H 1px 0.053853 0.008311 0.031568 -0.043959 -0.003552 0.052749 14H 1py -0.052922 -0.003188 0.015472 0.117649 0.147246 -0.139745 15H 1s 0.062465 0.036904 0.079970 0.022131 0.026171 0.098265 15H 2s -0.378940 -0.211191 -0.399024 0.091235 -0.147592 -0.356240 15H 3s 0.034315 -0.008155 0.203579 -0.015528 -0.312360 0.305701 15H 1pz -0.073705 -0.060356 0.009804 0.032622 -0.107358 0.026332 15H 1px -0.112832 -0.029248 0.039907 0.027242 0.025464 -0.117476 15H 1py 0.088525 0.071920 0.029476 -0.030798 0.117371 -0.031170 16H 1s 0.054850 0.045308 -0.019165 0.007832 0.052133 -0.018089 16H 2s -0.160070 -0.307497 0.136936 -0.044694 -0.235190 0.034457 16H 3s 0.171664 0.089532 0.031736 0.019012 -0.011351 0.026409 16H 1pz -0.068476 0.027473 0.003238 0.016820 0.020323 -0.008666 16H 1px 0.045125 0.036896 0.094844 0.098964 0.013016 -0.013722 16H 1py 0.029879 -0.117657 0.012428 -0.004968 -0.122091 0.046363 17H 1s 0.028590 0.029352 -0.019158 0.005276 0.062952 -0.015439 17H 2s -0.103402 0.040773 0.106119 -0.014356 -0.264564 0.014465 17H 3s 0.008688 0.107211 0.089686 0.003521 0.180353 -0.022328 17H 1pz -0.017243 0.097570 -0.023730 0.101561 0.098779 -0.040188 17H 1px -0.019095 0.011540 0.094229 -0.036792 0.040928 -0.008962 17H 1py -0.091409 0.027598 0.078446 0.027957 0.052400 -0.004956 18H 1s 0.026993 -0.031332 -0.020743 0.004442 0.061179 0.015565 18H 2s -0.093316 -0.036401 0.105556 -0.004470 -0.265408 -0.015889 18H 3s 0.005062 -0.108057 0.084246 0.005162 0.178951 0.024572 18H 1pz 0.016267 0.094393 0.033043 -0.101845 -0.094590 -0.037520 18H 1px 0.018955 0.013592 -0.094307 0.035795 -0.039977 -0.010255 18H 1py 0.091415 0.029553 -0.072878 -0.030544 -0.058504 -0.004761 19H 1s 0.055490 -0.048034 -0.020068 0.005168 0.051271 0.017783 19H 2s -0.159303 0.318209 0.145498 -0.033123 -0.225014 -0.031757 19H 3s 0.172745 -0.096810 0.031373 0.018290 -0.005357 -0.024917 19H 1pz 0.071033 0.027698 0.000204 -0.019074 -0.019381 -0.008710 19H 1px -0.044584 0.039481 -0.090512 -0.101232 -0.017192 -0.013569 19H 1py -0.028566 -0.116924 -0.022866 0.004011 0.119227 0.043761 20H 1s 0.062756 -0.039380 0.080302 0.023723 0.026733 -0.103413 20H 2s -0.380127 0.221314 -0.398142 0.083074 -0.151377 0.375971 20H 3s 0.045058 0.004169 0.206368 -0.008051 -0.317692 -0.321431 20H 1pz 0.071346 -0.057915 -0.012351 -0.033262 0.107994 0.026395 20H 1px 0.111729 -0.025659 -0.040131 -0.026698 -0.025366 -0.117993 20H 1py -0.085776 0.070290 -0.027126 0.030099 -0.117475 -0.030238 21H 1s -0.064067 -0.003115 -0.108401 -0.042617 0.010647 0.169696 21H 2s 0.460561 0.007620 0.233697 0.019589 -0.110838 -0.717349 21H 3s -0.271406 0.084520 -0.243064 -0.124869 -0.165951 0.251621 21H 1pz -0.001866 -0.031597 0.023737 -0.001403 0.085784 0.055736 21H 1px -0.054461 0.009592 -0.032389 0.043574 0.001857 0.053706 21H 1py 0.056401 -0.002858 -0.014707 -0.116367 -0.146955 -0.142728 22H 1s 0.040798 -0.021250 0.055773 0.029620 0.037249 -0.071181 22H 2s -0.133815 0.070307 -0.073269 -0.176446 0.076885 0.323908 22H 3s 0.080162 -0.032394 -0.006134 0.088072 -0.148226 -0.134360 22H 1pz 0.081301 -0.032597 0.001852 -0.004976 0.024928 -0.078957 22H 1px 0.060497 -0.006643 -0.055886 0.008743 0.045726 -0.012084 22H 1py 0.022752 -0.042975 0.122493 -0.060447 -0.008083 -0.085087 23H 1s 0.065595 0.066097 -0.054657 0.112372 0.025129 0.191281 23H 2s -0.267557 -0.308348 0.206715 -0.313655 -0.201591 -0.742160 23H 3s 0.001118 -0.242307 -0.138537 0.275708 -0.230577 0.387079 23H 1pz 0.132534 0.198194 0.018266 -0.068421 0.140881 0.032039 23H 1px 0.069107 0.005075 -0.010735 -0.020584 -0.034949 0.049542 23H 1py 0.042123 0.096781 0.008004 0.012622 0.061826 0.027234 24H 1s -0.038324 0.044210 0.055171 -0.051217 -0.029675 -0.134782 24H 2s 0.375310 -0.214298 -0.279111 0.018047 0.025538 0.561837 24H 3s -0.316305 -0.326294 0.163420 -0.073204 -0.461002 -0.243294 24H 1pz -0.010825 0.169661 0.063600 0.054316 0.122762 -0.061598 24H 1px -0.029000 -0.039147 0.037585 -0.006783 -0.083189 -0.100258 24H 1py 0.002424 0.113098 0.065878 0.046503 0.064330 -0.113442 25H 1s -0.014452 0.015478 0.023693 -0.037471 0.029256 -0.044735 25H 2s 0.020120 0.032714 -0.173305 0.149475 0.164181 0.159948 25H 3s -0.012131 -0.174210 0.189917 -0.023558 -0.180891 -0.128554 25H 1pz 0.143054 0.087786 0.009912 -0.031284 -0.008109 0.029896 25H 1px 0.083973 0.063523 0.002389 0.005039 0.018806 0.002336 25H 1py 0.017382 0.075775 0.069037 0.000742 -0.005117 -0.146296 26O 1s 0.007354 -0.008438 0.003986 0.001682 0.005075 0.001446 26O 2s 0.022546 -0.024733 0.014044 0.006842 0.011213 0.002751 26O 3s -0.107623 0.099267 -0.097543 -0.063122 0.040051 0.019362 26O 4s 0.084323 -0.073034 0.199026 0.224689 -0.561627 -0.188997 26O 5s 0.805006 -0.774934 0.888309 0.311946 -0.503790 -0.130665 26O 1pz 0.028849 0.003124 -0.007241 -0.051537 0.038849 0.012914 26O 1px 0.000899 -0.026290 0.010661 -0.013893 -0.014394 -0.005218 26O 1py -0.007094 -0.029428 -0.024131 0.045558 0.026355 0.011575 26O 2pz -0.073694 0.009176 -0.021188 -0.008604 0.084342 -0.003541 26O 2px -0.171677 0.077525 -0.152170 -0.144413 0.315341 0.096346 26O 2py -0.058010 0.034583 -0.110861 -0.094267 0.169794 0.005784 26O 3pz 0.595260 0.027182 -0.033802 0.029606 -0.048168 0.213921 26O 3px -0.121007 0.341426 -0.730987 -0.436190 0.992364 0.230516 26O 3py 0.166596 0.164012 -0.101727 -0.019149 0.335125 -0.055673 26O 1dz2 0.004348 -0.004471 0.001354 -0.001252 -0.004759 0.001125 26O 1dxz 0.001350 -0.000769 -0.004859 -0.004762 0.008034 -0.001206 26O 1dyz 0.002296 -0.005687 0.001446 0.004254 -0.000028 0.000724 26O 1dx2y2 0.001698 0.001627 -0.001291 -0.003888 -0.001582 -0.000124 26O 1dxy -0.000491 -0.000650 -0.003528 -0.001723 0.003844 0.000543 26O 2dz2 0.160275 -0.040990 -0.097295 -0.117654 0.031365 -0.044399 26O 2dxz -0.063331 -0.150280 -0.133134 -0.060575 0.274004 -0.161580 26O 2dyz 0.015545 -0.076927 0.150621 0.158328 0.016151 -0.065543 26O 2dx2y2 0.268475 0.040706 0.025458 0.106228 -0.203844 -0.120388 26O 2dxy 0.036876 -0.004622 0.056244 -0.055584 -0.068935 0.099448 26O 1f0 -0.000994 0.000669 -0.003233 0.007567 0.002858 -0.005356 26O 1f+1 -0.001165 0.001095 0.004236 0.005386 -0.005070 -0.003120 26O 1f-1 -0.003015 0.000444 -0.000690 -0.002563 0.006082 -0.002254 26O 1f+2 0.003365 -0.000730 0.001732 0.006801 -0.005277 0.001187 26O 1f-2 -0.002156 -0.000097 -0.004093 -0.003305 0.003396 0.001653 26O 1f+3 0.003020 0.000390 0.001199 0.002744 -0.003068 -0.001478 26O 1f-3 0.004117 0.000494 0.006673 -0.000098 -0.010301 0.000315 27O 1s 0.002938 -0.000184 -0.002930 0.004598 0.006178 -0.001665 27O 2s 0.007723 -0.000747 -0.010863 0.016126 0.016521 -0.004541 27O 3s -0.006858 0.008294 0.094888 -0.114076 -0.023207 0.014751 27O 4s -0.132203 -0.009331 -0.337762 0.236515 -0.291450 -0.019738 27O 5s -0.112525 -0.027565 -0.822005 1.093971 0.247981 0.047525 27O 1pz 0.013501 0.010050 -0.025141 -0.060329 0.035668 -0.010492 27O 1px -0.001000 -0.014842 -0.008609 0.001548 0.009348 -0.018979 27O 1py 0.007433 -0.009621 -0.017137 -0.027878 -0.019277 0.032667 27O 2pz -0.053604 0.000427 0.016012 0.024414 0.022474 -0.025054 27O 2px 0.049956 0.019296 0.313883 -0.230864 0.133076 0.009159 27O 2py -0.027120 -0.031947 -0.129821 0.086809 -0.040611 0.002900 27O 3pz 0.224786 -0.133456 -0.402568 0.020393 -0.161317 -0.197442 27O 3px 0.262156 0.159364 0.489736 -0.709117 0.355628 -0.089998 27O 3py -0.175197 0.041613 0.528244 0.041957 -0.172931 -0.191597 27O 1dz2 0.001128 0.003660 -0.000538 -0.002076 -0.001801 0.000051 27O 1dxz 0.001874 0.001708 0.001808 -0.003951 0.002363 -0.001410 27O 1dyz -0.003175 -0.000386 0.005783 -0.000023 0.001260 0.000673 27O 1dx2y2 0.002090 0.001209 0.002149 -0.005350 -0.001480 0.002193 27O 1dxy 0.000175 -0.001461 -0.001669 0.001982 -0.003740 0.003963 27O 2dz2 0.159408 0.087908 0.141694 -0.211616 -0.020313 -0.056343 27O 2dxz 0.073337 0.100805 0.319063 -0.014690 0.129670 0.145489 27O 2dyz -0.158377 0.062189 0.164338 -0.080602 0.049210 -0.113193 27O 2dx2y2 0.169073 0.031595 -0.122969 -0.015658 -0.125292 0.104749 27O 2dxy 0.067738 -0.066024 -0.117326 0.003788 -0.117711 0.128076 27O 1f0 0.002346 -0.002502 0.000531 0.002585 -0.001548 0.002669 27O 1f+1 -0.003576 -0.003674 -0.003537 0.011322 -0.001645 0.002967 27O 1f-1 -0.000596 0.001617 -0.004362 -0.007228 0.000001 -0.001480 27O 1f+2 0.001100 -0.001905 -0.009514 0.002261 -0.004103 -0.000390 27O 1f-2 0.002619 -0.000419 -0.008140 0.000818 -0.001869 -0.001184 27O 1f+3 -0.003158 0.000324 -0.001345 0.004702 -0.003965 -0.000992 27O 1f-3 0.003430 -0.000955 0.002204 -0.000629 0.001361 0.000960 28O 1s 0.001781 -0.003681 -0.000943 -0.002458 0.005765 -0.000286 28O 2s 0.002401 -0.007800 -0.005083 -0.009874 0.016276 -0.001652 28O 3s 0.051235 -0.054864 0.066137 0.096043 -0.050324 0.024732 28O 4s -0.387693 0.373984 -0.253700 -0.328985 -0.006726 -0.088061 28O 5s -0.452241 2.017711 -0.434090 -0.936144 -0.266265 -0.316030 28O 1pz 0.052221 -0.010231 -0.004683 0.002310 0.011800 0.016622 28O 1px 0.035991 0.078526 0.006900 0.010419 0.003315 0.007867 28O 1py 0.004269 0.004534 0.042232 0.009654 0.012434 0.023942 28O 2pz 0.157736 -0.271468 0.110921 0.218742 -0.083453 0.039609 28O 2px -0.177146 0.343731 -0.149371 -0.208561 0.021500 -0.037815 28O 2py 0.042732 -0.037496 0.031433 0.008679 -0.047959 0.019978 28O 3pz 0.651052 -1.040772 0.465840 0.186067 0.952670 0.138202 28O 3px -0.609137 0.631915 -0.363780 -0.644734 -0.008326 -0.233061 28O 3py 0.018014 -0.298373 0.036505 0.082285 0.603069 0.331312 28O 1dz2 0.006735 -0.004059 0.001488 -0.002858 0.003259 0.001691 28O 1dxz -0.003728 0.006576 -0.002163 -0.004102 0.000176 -0.001277 28O 1dyz -0.002004 -0.001450 -0.000702 0.000402 0.005499 0.000811 28O 1dx2y2 -0.000108 -0.001594 -0.000887 -0.000062 0.000098 -0.003247 28O 1dxy -0.004743 0.003609 -0.002248 -0.004555 -0.000226 0.000124 28O 2dz2 0.110042 -0.060026 0.091863 -0.237277 -0.158706 0.176088 28O 2dxz 0.109499 -0.258565 0.091160 -0.039015 -0.013006 0.019807 28O 2dyz -0.031433 -0.006556 -0.148198 0.066824 0.048009 -0.238995 28O 2dx2y2 -0.095117 0.232417 -0.066583 -0.264341 0.134917 -0.007959 28O 2dxy -0.199176 0.019885 -0.018659 -0.157115 0.098564 0.182239 28O 1f0 -0.006242 0.011623 -0.001051 -0.003008 -0.004506 0.002133 28O 1f+1 -0.005773 0.010965 -0.001736 -0.005285 -0.006681 -0.000525 28O 1f-1 0.006160 -0.004096 0.007034 0.004622 -0.006720 0.001139 28O 1f+2 0.001864 -0.018311 0.006619 0.006243 0.007167 0.001936 28O 1f-2 0.002024 -0.000480 -0.001682 -0.000964 -0.000481 -0.001277 28O 1f+3 0.003983 -0.011194 0.003520 0.005760 0.000011 0.004225 28O 1f-3 0.002783 0.003078 -0.002984 0.000774 -0.003066 -0.005612 29O 1s 0.003036 0.001458 -0.002261 0.000474 0.005372 -0.000579 29O 2s 0.009476 0.005345 -0.006812 0.001520 0.015998 -0.002497 29O 3s -0.055189 -0.049770 0.028867 -0.009754 -0.075340 0.028621 29O 4s 0.012963 0.126159 0.033544 0.011945 -0.075299 -0.102507 29O 5s 0.464058 0.104715 -0.332688 0.038856 0.928407 0.112500 29O 1pz 0.013591 0.005831 0.002048 -0.006060 -0.012787 0.002612 29O 1px 0.002458 0.014539 -0.016761 -0.001128 -0.015045 -0.002860 29O 1py 0.012645 0.034619 -0.006489 -0.001675 0.006996 -0.015300 29O 2pz -0.056334 -0.008176 0.001211 0.000810 0.005035 -0.000270 29O 2px 0.020923 0.018551 0.010363 0.006058 0.060208 -0.010117 29O 2py -0.050905 -0.056339 -0.014772 -0.006765 -0.051056 0.029874 29O 3pz 0.191797 -0.304848 0.058114 0.027078 0.000153 0.034005 29O 3px -0.180649 -0.092440 -0.106494 -0.001441 -0.311842 -0.037946 29O 3py -0.026778 -0.013395 0.165385 -0.047292 -0.158989 -0.045004 29O 1dz2 0.000669 -0.000796 -0.001885 0.002318 0.001024 0.000227 29O 1dxz -0.001292 0.000447 -0.002157 -0.001375 0.003122 0.000547 29O 1dyz -0.001094 0.001010 0.001638 -0.000214 0.002227 -0.000659 29O 1dx2y2 -0.002998 -0.000371 0.004208 0.000219 -0.002184 -0.000230 29O 1dxy -0.001002 0.001059 -0.001409 0.000470 0.000630 -0.000618 29O 2dz2 0.009996 0.063245 -0.021558 -0.013687 0.037163 -0.015710 29O 2dxz 0.043550 0.028949 -0.013368 0.017493 -0.007703 0.016251 29O 2dyz 0.049952 0.024881 -0.020571 0.014612 -0.084630 0.016341 29O 2dx2y2 0.005167 -0.058487 -0.049494 -0.013494 -0.018001 0.011145 29O 2dxy 0.044265 0.028655 -0.020537 0.011805 0.003861 0.012053 29O 1f0 -0.005659 -0.003049 0.001326 -0.001052 -0.007603 0.001755 29O 1f+1 0.003200 0.002352 -0.000856 0.001922 0.003175 -0.001088 29O 1f-1 -0.006323 -0.004316 0.001684 0.000465 -0.005470 0.002316 29O 1f+2 0.003500 0.002169 -0.001513 -0.000274 0.004883 -0.000607 29O 1f-2 -0.001147 -0.005311 0.001908 -0.001929 -0.004342 0.001845 29O 1f+3 0.004213 0.001454 -0.002307 -0.000125 0.004768 -0.000771 29O 1f-3 0.001465 0.002358 0.000602 0.000129 0.002468 -0.000628 30O 1s 0.000173 0.001686 0.001765 -0.000941 0.005015 -0.002593 30O 2s -0.001793 0.003559 0.007084 -0.004970 0.011035 -0.006519 30O 3s 0.056530 0.018726 -0.069285 0.058648 0.035170 0.001769 30O 4s -0.265269 -0.175661 0.334520 -0.192392 -0.400639 0.140364 30O 5s -0.551257 -0.283268 -0.000666 -0.432799 -0.573293 0.217511 30O 1pz 0.047792 0.010707 0.010476 0.006063 0.002900 0.002130 30O 1px 0.028111 -0.050270 -0.032478 0.023355 0.014951 0.022482 30O 1py 0.015393 -0.001392 0.034389 -0.028703 -0.021658 0.023332 30O 2pz 0.089761 0.040621 -0.106473 0.099975 0.069069 -0.018071 30O 2px -0.108685 -0.090935 0.115191 -0.095520 -0.186563 0.077805 30O 2py -0.114278 -0.049010 0.147440 -0.048918 -0.082869 0.003950 30O 3pz 0.472224 0.185750 -0.153655 0.165316 0.994574 -0.022490 30O 3px -0.461626 0.104777 0.580860 -0.395345 -0.273141 0.022991 30O 3py -0.346163 -0.314685 -0.037011 -0.542988 -1.084228 0.441089 30O 1dz2 0.004938 0.001120 -0.003889 -0.002202 0.001055 0.001642 30O 1dxz -0.000136 0.001749 0.003388 -0.001982 -0.000168 0.002171 30O 1dyz -0.004026 -0.002646 -0.001636 0.000171 -0.005504 -0.000028 30O 1dx2y2 -0.001330 0.003214 0.003334 -0.004911 -0.001792 0.000867 30O 1dxy 0.002732 0.000826 -0.005368 0.003861 0.002617 0.001020 30O 2dz2 0.045806 -0.036256 -0.342790 -0.133582 0.004870 -0.228376 30O 2dxz 0.159890 0.124255 -0.046234 -0.052494 0.118164 0.070456 30O 2dyz 0.035669 -0.005824 0.044730 0.223988 0.066998 0.031625 30O 2dx2y2 -0.083941 0.054971 0.199208 -0.192200 0.086554 -0.100315 30O 2dxy 0.103042 -0.091012 -0.020972 -0.024040 -0.006786 0.158808 30O 1f0 -0.007729 -0.003773 0.006074 -0.005914 -0.009177 -0.002182 30O 1f+1 -0.004616 -0.002883 -0.005194 -0.000652 -0.001767 -0.003074 30O 1f-1 0.002918 0.001652 0.003485 -0.002078 -0.000686 0.002873 30O 1f+2 0.001643 0.003632 0.005335 -0.002705 0.005065 0.001181 30O 1f-2 0.006541 0.005160 0.004008 0.004520 0.012051 -0.002780 30O 1f+3 0.003038 0.000243 -0.004774 0.001347 -0.006069 0.002823 30O 1f-3 0.000591 0.000952 -0.001349 0.004352 0.010116 -0.006834 31O 1s 0.000085 -0.001762 0.001712 -0.000995 0.005066 0.002689 31O 2s -0.001988 -0.003798 0.006918 -0.005177 0.011657 0.006938 31O 3s 0.055798 -0.017311 -0.068362 0.060542 0.022494 -0.006533 31O 4s -0.258274 0.170052 0.332300 -0.199313 -0.340813 -0.121447 31O 5s -0.534606 0.307795 -0.012252 -0.441346 -0.428515 -0.181439 31O 1pz -0.046984 0.010609 -0.009678 -0.006652 -0.001116 0.001903 31O 1px -0.029390 -0.051153 0.032015 -0.022918 -0.017062 0.021672 31O 1py -0.016005 -0.000754 -0.034783 0.028638 0.021209 0.023572 31O 2pz -0.087353 0.039615 0.103297 -0.102780 -0.044656 -0.009365 31O 2px 0.105115 -0.089730 -0.112038 0.099479 0.149744 0.066025 31O 2py 0.111442 -0.046027 -0.144386 0.052322 0.056220 -0.005760 31O 3pz -0.462560 0.188822 0.161529 -0.159984 -0.981551 -0.017053 31O 3px 0.459365 0.109921 -0.567021 0.399939 0.197605 0.000242 31O 3py 0.334322 -0.325705 0.013933 0.534003 1.088691 0.448670 31O 1dz2 0.004954 -0.000975 -0.003969 -0.002228 0.001093 -0.001639 31O 1dxz -0.000122 -0.001719 0.003240 -0.001982 0.000193 -0.002077 31O 1dyz -0.003931 0.002742 -0.001572 0.000187 -0.005340 -0.000049 31O 1dx2y2 -0.001267 -0.003235 0.003300 -0.004836 -0.002075 -0.001043 31O 1dxy 0.002708 -0.000761 -0.005322 0.003846 0.002313 -0.001193 31O 2dz2 0.044688 0.047698 -0.341409 -0.133874 -0.001567 0.226320 31O 2dxz 0.155748 -0.119273 -0.047417 -0.051884 0.105534 -0.076512 31O 2dyz 0.034319 0.004507 0.044377 0.225740 0.055142 -0.036065 31O 2dx2y2 -0.082578 -0.061818 0.194065 -0.193042 0.088213 0.105811 31O 2dxy 0.105723 0.093171 -0.018834 -0.024183 0.003897 -0.158814 31O 1f0 0.007552 -0.003623 -0.006061 0.005981 0.008347 -0.002600 31O 1f+1 0.004592 -0.002986 0.005022 0.000648 0.001911 -0.003041 31O 1f-1 -0.002916 0.001724 -0.003383 0.002104 0.000526 0.002696 31O 1f+2 -0.001595 0.003851 -0.005321 0.002660 -0.004813 0.001232 31O 1f-2 -0.006357 0.005374 -0.004028 -0.004675 -0.010781 -0.002400 31O 1f+3 -0.003093 0.000092 0.004759 -0.001317 0.005915 0.002811 31O 1f-3 -0.000380 0.001050 0.001297 -0.004364 -0.009559 -0.006676 32O 1s 0.002946 -0.001615 -0.002304 0.000402 0.005338 0.000586 32O 2s 0.009229 -0.005842 -0.006980 0.001284 0.015844 0.002502 32O 3s -0.054532 0.052691 0.030603 -0.008213 -0.073548 -0.028376 32O 4s 0.016104 -0.128415 0.028466 0.009149 -0.082312 0.100507 32O 5s 0.450508 -0.120521 -0.333033 0.035237 0.937842 -0.107499 32O 1pz -0.014113 0.005692 -0.003280 0.006592 0.013749 0.002576 32O 1px -0.002634 0.013706 0.016796 0.001806 0.016098 -0.002664 32O 1py -0.012429 0.035705 0.007892 0.003005 -0.005872 -0.015452 32O 2pz 0.057766 -0.009199 -0.000714 -0.003349 -0.003553 -0.000986 32O 2px -0.020013 0.020083 -0.009546 -0.006878 -0.059498 -0.010610 32O 2py 0.051371 -0.059637 0.012725 0.005260 0.048708 0.030001 32O 3pz -0.190008 -0.303341 -0.072387 -0.027725 -0.016249 0.029602 32O 3px 0.179516 -0.099888 0.103322 0.010147 0.316664 -0.033758 32O 3py 0.021772 -0.019295 -0.165181 0.043456 0.166507 -0.045114 32O 1dz2 0.000690 0.000915 -0.001906 0.002240 0.000924 -0.000286 32O 1dxz -0.001254 -0.000446 -0.002175 -0.001494 0.003135 -0.000570 32O 1dyz -0.001149 -0.001028 0.001503 -0.000134 0.002258 0.000602 32O 1dx2y2 -0.002925 0.000421 0.004211 0.000217 -0.002164 0.000193 32O 1dxy -0.001045 -0.000888 -0.001488 0.000461 0.000685 0.000604 32O 2dz2 0.006683 -0.063413 -0.019911 -0.017268 0.034086 0.016065 32O 2dxz 0.041234 -0.029566 -0.016954 0.015049 -0.001638 -0.016428 32O 2dyz 0.051914 -0.029257 -0.022061 0.011738 -0.085194 -0.016917 32O 2dx2y2 0.002546 0.061724 -0.048033 -0.015135 -0.016811 -0.011640 32O 2dxy 0.048610 -0.025937 -0.021681 0.018071 0.008328 -0.011702 32O 1f0 0.005297 -0.002974 -0.001335 0.000920 0.007296 0.001609 32O 1f+1 -0.003375 0.002702 0.000989 -0.001990 -0.003336 -0.001199 32O 1f-1 0.006590 -0.004700 -0.001851 -0.000663 0.005749 0.002342 32O 1f+2 -0.003796 0.002663 0.001673 0.000332 -0.005183 -0.000736 32O 1f-2 0.000902 -0.005175 -0.002094 0.002027 0.003792 0.001810 32O 1f+3 -0.004104 0.001428 0.002321 0.000186 -0.004441 -0.000750 32O 1f-3 -0.001300 0.002443 -0.000523 -0.000125 -0.002155 -0.000613 33O 1s 0.001742 0.003601 -0.000809 -0.002398 0.005763 0.000211 33O 2s 0.002232 0.007647 -0.004660 -0.009619 0.015925 0.001336 33O 3s 0.053135 0.053464 0.064612 0.093212 -0.041317 -0.021333 33O 4s -0.394461 -0.359407 -0.250341 -0.317363 -0.051382 0.077269 33O 5s -0.473316 -2.038331 -0.470750 -0.907170 -0.373768 0.287419 33O 1pz -0.051874 -0.009677 0.004999 -0.003795 -0.012537 0.017105 33O 1px -0.035588 0.079684 -0.004512 -0.010579 -0.000086 0.008210 33O 1py -0.004597 0.008179 -0.041751 -0.010173 -0.011906 0.023140 33O 2pz -0.161440 -0.266462 -0.111639 -0.211237 0.057485 0.032136 33O 2px 0.180926 0.339600 0.151702 0.200451 0.008696 -0.030586 33O 2py -0.043607 -0.036507 -0.031551 -0.007803 0.044080 0.018301 33O 3pz -0.660338 -1.026476 -0.497373 -0.189192 -0.946328 0.125322 33O 3px 0.619386 0.618998 0.366122 0.629030 0.061519 -0.217316 33O 3py -0.019560 -0.294275 -0.053321 -0.091874 -0.575985 0.342505 33O 1dz2 0.006765 0.004000 0.001571 -0.002750 0.003201 -0.001648 33O 1dxz -0.003762 -0.006470 -0.002303 -0.003959 -0.000302 0.001254 33O 1dyz -0.002019 0.001436 -0.000652 0.000479 0.005584 -0.000823 33O 1dx2y2 -0.000052 0.001766 -0.000915 -0.000161 0.000335 0.003342 33O 1dxy -0.004791 -0.003487 -0.002332 -0.004530 -0.000326 -0.000206 33O 2dz2 0.109332 0.052201 0.097341 -0.238152 -0.158988 -0.179249 33O 2dxz 0.112820 0.259729 0.095115 -0.040329 0.001972 -0.015054 33O 2dyz -0.033092 0.009945 -0.146496 0.066482 0.048846 0.238173 33O 2dx2y2 -0.095561 -0.223724 -0.070822 -0.262650 0.123485 0.004503 33O 2dxy -0.199635 -0.020224 -0.017460 -0.156073 0.095654 -0.188494 33O 1f0 0.006327 0.011731 0.001336 0.002952 0.004744 0.002302 33O 1f+1 0.005867 0.010949 0.001877 0.005190 0.007030 -0.000283 33O 1f-1 -0.006198 -0.003803 -0.007066 -0.004545 0.006465 0.000959 33O 1f+2 -0.002018 -0.018203 -0.006983 -0.006021 -0.008149 0.001548 33O 1f-2 -0.002009 -0.000410 0.001614 0.000889 0.000738 -0.001223 33O 1f+3 -0.004068 -0.011068 -0.003787 -0.005597 -0.000583 0.004124 33O 1f-3 -0.002788 0.002972 0.003157 -0.000700 0.002981 -0.005695 34O 1s 0.002820 0.000308 -0.002935 0.004544 0.006350 0.001742 34O 2s 0.007434 0.001145 -0.010758 0.015996 0.016579 0.004661 34O 3s -0.007045 -0.010628 0.091929 -0.114154 -0.013456 -0.012880 34O 4s -0.126142 0.014439 -0.323266 0.240443 -0.346539 0.002563 34O 5s -0.097983 0.065647 -0.797014 1.090613 0.087581 -0.070068 34O 1pz -0.013685 0.009323 0.026028 0.060340 -0.034092 -0.010563 34O 1px 0.001551 -0.015753 0.009310 -0.000726 -0.013849 -0.018805 34O 1py -0.007740 -0.010909 0.016385 0.027624 0.017732 0.033749 34O 2pz 0.053579 0.002441 -0.016695 -0.024822 -0.019344 -0.025197 34O 2px -0.045233 0.025667 -0.302972 0.233331 -0.184946 -0.002843 34O 2py 0.026375 -0.035994 0.126848 -0.087104 0.052091 0.005762 34O 3pz -0.223358 -0.154141 0.390988 -0.024241 0.197358 -0.194385 34O 3px -0.249069 0.184094 -0.473710 0.705270 -0.417018 -0.114973 34O 3py 0.169357 0.059698 -0.520237 -0.034076 0.139843 -0.191580 34O 1dz2 0.001171 -0.003609 -0.000653 -0.002040 -0.002141 -0.000121 34O 1dxz 0.001841 -0.001838 0.001748 -0.003937 0.002266 0.001463 34O 1dyz -0.003147 0.000153 0.005838 0.000021 0.001259 -0.000471 34O 1dx2y2 0.002109 -0.001275 0.002010 -0.005384 -0.000892 -0.001997 34O 1dxy 0.000256 0.001692 -0.001590 0.002005 -0.003941 -0.004072 34O 2dz2 0.156822 -0.088985 0.135059 -0.212780 -0.007217 0.059387 34O 2dxz 0.071960 -0.111853 0.316536 -0.015540 0.138220 -0.142593 34O 2dyz -0.160349 -0.070298 0.160487 -0.079340 0.049649 0.114090 34O 2dx2y2 0.172027 -0.028096 -0.120586 -0.014296 -0.145813 -0.107835 34O 2dxy 0.067767 0.073308 -0.116550 0.004997 -0.114277 -0.128518 34O 1f0 -0.002358 -0.002492 -0.000582 -0.002531 0.001207 0.002759 34O 1f+1 0.003435 -0.003676 0.003198 -0.011340 0.002818 0.003133 34O 1f-1 0.000582 0.001426 0.004525 0.007242 -0.000289 -0.001451 34O 1f+2 -0.001157 -0.002210 0.009469 -0.002263 0.004475 -0.000151 34O 1f-2 -0.002626 -0.000694 0.008101 -0.000842 0.002200 -0.001014 34O 1f+3 0.002965 0.000326 0.001214 -0.004733 0.005086 -0.000895 34O 1f-3 -0.003260 -0.001105 -0.002118 0.000623 -0.002034 0.000889 35O 1s 0.007326 0.008178 0.004312 0.001789 0.005122 -0.001441 35O 2s 0.022457 0.024007 0.014926 0.007049 0.011762 -0.002738 35O 3s -0.107120 -0.097390 -0.099352 -0.061649 0.028713 -0.019179 35O 4s 0.082495 0.080418 0.192489 0.212229 -0.510392 0.188250 35O 5s 0.812457 0.736858 0.880654 0.279276 -0.371221 0.132997 35O 1pz -0.028773 0.003947 0.008200 0.050942 -0.038851 0.013535 35O 1px -0.000633 -0.027416 -0.012329 0.013188 0.019127 -0.005093 35O 1py 0.007225 -0.028368 0.022694 -0.046456 -0.024412 0.012747 35O 2pz 0.073773 0.006913 0.019454 0.008300 -0.078443 -0.002752 35O 2px 0.171998 0.077531 0.144704 0.134238 -0.272363 0.095669 35O 2py 0.057644 0.030605 0.107787 0.090456 -0.150860 0.005869 35O 3pz -0.595901 0.061928 0.048683 -0.023060 0.002806 0.216528 35O 3px 0.124427 0.338367 0.730008 0.417687 -0.944933 0.235541 35O 3py -0.165275 0.187983 0.114910 0.017866 -0.339452 -0.061140 35O 1dz2 0.004403 0.004468 0.001408 -0.001290 -0.004563 -0.001118 35O 1dxz 0.001313 0.000893 -0.004803 -0.004692 0.007958 0.001082 35O 1dyz 0.002258 0.005554 0.001663 0.004273 -0.000065 -0.000685 35O 1dx2y2 0.001715 -0.001597 -0.001291 -0.003813 -0.001894 0.000165 35O 1dxy -0.000500 0.000675 -0.003397 -0.001634 0.003540 -0.000640 35O 2dz2 0.161815 0.047264 -0.093249 -0.116774 0.023037 0.041994 35O 2dxz -0.063244 0.161792 -0.126381 -0.059944 0.271448 0.163020 35O 2dyz 0.013999 0.070563 0.152862 0.155830 0.018061 0.068038 35O 2dx2y2 0.270873 -0.043178 0.018177 0.101234 -0.187887 0.123383 35O 2dxy 0.038013 0.005064 0.055145 -0.058419 -0.053652 -0.102019 35O 1f0 0.001016 0.000347 0.003233 -0.007475 -0.003097 -0.005314 35O 1f+1 0.001175 0.000937 -0.004052 -0.005191 0.004363 -0.003068 35O 1f-1 0.003043 0.000255 0.000763 0.002617 -0.006436 -0.002081 35O 1f+2 -0.003369 -0.000441 -0.001709 -0.006807 0.005182 0.001115 35O 1f-2 0.002150 -0.000142 0.003998 0.003173 -0.002977 0.001683 35O 1f+3 -0.003060 0.000359 -0.001013 -0.002664 0.002470 -0.001418 35O 1f-3 -0.004173 0.000361 -0.006336 0.000370 0.009078 0.000422 360 361 362 363 364 365 1.86505 1.86971 1.87983 1.89030 1.89597 1.89740 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s 0.000193 -0.000762 -0.000784 -0.000725 -0.000735 0.000469 0Rh 2s -0.000804 0.001992 0.001538 0.003450 0.002463 -0.001980 0Rh 3s 0.000643 -0.003261 -0.003668 -0.002152 -0.002814 0.001548 0Rh 4s 0.003889 -0.009488 -0.007252 -0.017001 -0.011919 0.009703 0Rh 5s -0.003614 0.000553 -0.004775 0.022017 0.007717 -0.010687 0Rh 6s -0.011648 0.062418 0.065809 0.019826 0.048266 -0.018851 0Rh 7s 0.102844 -0.182268 0.131404 -0.091687 -0.200036 0.192635 0Rh 8s 0.049708 0.043555 0.149966 0.021240 -0.002313 -0.181673 0Rh 1pz 0.005023 0.001941 0.005465 0.010524 -0.019722 0.000991 0Rh 1px 0.002772 0.003764 0.009922 -0.007784 -0.003293 -0.002813 0Rh 1py -0.008264 -0.012665 -0.006772 -0.006864 -0.007852 0.013984 0Rh 2pz -0.016850 -0.006626 -0.018683 -0.035559 0.067124 -0.003173 0Rh 2px -0.009296 -0.012789 -0.033422 0.027331 0.011037 0.009566 0Rh 2py 0.028282 0.042805 0.022934 0.023372 0.026860 -0.047055 0Rh 3pz -0.002562 0.001378 0.003093 0.000333 -0.004943 -0.003409 0Rh 3px -0.001782 0.000099 -0.005296 -0.019494 0.002935 -0.001023 0Rh 3py -0.006590 0.004049 0.000191 -0.003030 -0.005384 -0.004368 0Rh 4pz 0.109489 0.033411 0.105580 0.204917 -0.405554 0.030529 0Rh 4px 0.063093 0.083956 0.239473 -0.097771 -0.081498 -0.053903 0Rh 4py -0.146367 -0.294156 -0.142417 -0.129497 -0.144780 0.292770 0Rh 5pz -0.163430 -0.040896 -0.165930 -0.290563 0.691824 -0.045372 0Rh 5px -0.098929 -0.166072 -0.468404 0.168058 0.134003 0.089151 0Rh 5py 0.227798 0.528527 0.227094 0.195883 0.229454 -0.424346 0Rh 6pz 0.255039 -0.084315 -0.177744 0.825937 -1.254503 0.292898 0Rh 6px 0.169494 0.347743 1.292477 -0.071672 -0.203942 -0.462467 0Rh 6py -0.451155 -0.342791 -0.640751 -0.374822 -0.501469 0.991515 0Rh 1dz2 0.003833 0.005087 -0.007275 0.010178 -0.000033 -0.000287 0Rh 1dxz -0.004002 0.000981 -0.007517 0.004435 0.008453 -0.002410 0Rh 1dyz 0.008810 0.001610 -0.000881 -0.004420 -0.002896 0.005277 0Rh 1dx2y2 -0.003747 0.005368 -0.005113 -0.006633 0.007391 0.003089 0Rh 1dxy 0.003249 0.009535 0.001619 -0.001912 0.001201 -0.005905 0Rh 2dz2 -0.002145 -0.002473 0.003590 -0.002660 0.000720 -0.000635 0Rh 2dxz 0.000352 0.000334 0.001450 -0.001546 -0.001464 0.000496 0Rh 2dyz -0.005745 -0.004703 0.002890 0.000902 0.001724 -0.002406 0Rh 2dx2y2 0.000052 -0.003114 0.000399 0.002705 -0.001943 -0.000289 0Rh 2dxy -0.001448 -0.002065 -0.000172 0.001141 -0.000504 0.000375 0Rh 3dz2 0.000247 -0.001703 0.002347 -0.013656 -0.003103 0.003613 0Rh 3dxz 0.008505 -0.003939 0.012301 -0.004214 -0.014955 0.003907 0Rh 3dyz 0.004179 0.017049 -0.010777 0.007064 -0.000384 -0.002506 0Rh 3dx2y2 0.009215 0.000260 0.011127 0.004403 -0.010044 -0.006456 0Rh 3dxy -0.001339 -0.014334 -0.003467 -0.000482 -0.000965 0.013213 0Rh 4dz2 -0.042655 -0.041058 0.057937 -0.043519 0.010763 -0.010981 0Rh 4dxz 0.005834 0.005200 0.026091 -0.024464 -0.019480 0.007285 0Rh 4dyz -0.111950 -0.079763 0.049140 0.017398 0.029335 -0.039654 0Rh 4dx2y2 -0.001288 -0.048742 0.004585 0.045912 -0.029861 -0.005361 0Rh 4dxy -0.032487 -0.040008 0.001106 0.021696 -0.004257 0.007226 0Rh 5dz2 0.372424 0.220060 -0.293713 0.160580 -0.053010 0.061089 0Rh 5dxz -0.026468 -0.041293 -0.115178 0.078479 0.003658 -0.029785 0Rh 5dyz 0.939689 0.512553 -0.309894 -0.145176 -0.191707 0.202389 0Rh 5dx2y2 0.075643 0.241845 0.027009 -0.215608 0.102564 0.039459 0Rh 5dxy 0.326546 0.219088 -0.064274 -0.137268 -0.028714 -0.027279 0Rh 1f0 -0.057383 -0.012546 0.031832 -0.076811 -0.020952 0.095538 0Rh 1f+1 0.060079 0.033783 -0.048974 0.069867 -0.123902 0.045669 0Rh 1f-1 -0.019212 -0.023610 0.017911 0.080743 -0.056230 0.147751 0Rh 1f+2 -0.106860 -0.056704 -0.015437 -0.144381 0.069667 0.005482 0Rh 1f-2 0.029112 0.102457 -0.139058 -0.063548 -0.061151 0.201153 0Rh 1f+3 0.050261 -0.018124 -0.008180 0.110343 -0.012075 -0.083957 0Rh 1f-3 -0.038229 -0.078348 -0.021647 0.007945 -0.022584 0.071064 1Rh 1s 0.000024 -0.000807 -0.000810 0.000648 -0.000804 -0.000474 1Rh 2s 0.000183 0.002216 0.001659 -0.003178 0.002805 0.001977 1Rh 3s 0.000252 -0.003390 -0.003751 0.001863 -0.003009 -0.001579 1Rh 4s -0.000938 -0.010587 -0.007847 0.015688 -0.013609 -0.009679 1Rh 5s 0.003078 0.001959 -0.004085 -0.021108 0.009996 0.010455 1Rh 6s -0.006968 0.063865 0.066908 -0.014586 0.049864 0.019712 1Rh 7s 0.026270 -0.194566 0.121788 0.056647 -0.214315 -0.196398 1Rh 8s -0.081930 0.037216 0.148772 -0.020361 0.006346 0.190579 1Rh 1pz 0.006407 -0.001827 -0.005366 0.012076 0.019308 -0.000246 1Rh 1px 0.002293 -0.003366 -0.009736 -0.007110 0.003931 -0.002979 1Rh 1py -0.009293 0.011845 0.006098 -0.006804 0.009448 0.013191 1Rh 2pz -0.021520 0.006262 0.018369 -0.040848 -0.065705 0.001030 1Rh 2px -0.007752 0.011428 0.032795 0.025061 -0.013283 0.010122 1Rh 2py 0.031750 -0.040006 -0.020649 0.023164 -0.032267 -0.044342 1Rh 3pz -0.002999 -0.001853 -0.003457 0.000901 0.004527 -0.003555 1Rh 3px -0.000134 0.000166 0.005299 -0.019873 -0.001222 -0.000861 1Rh 3py -0.006073 -0.004500 -0.000279 -0.002928 0.005567 -0.004905 1Rh 4pz 0.140743 -0.029552 -0.102556 0.236078 0.399075 0.004144 1Rh 4px 0.046961 -0.076707 -0.235764 -0.081831 0.089109 -0.058312 1Rh 4py -0.170868 0.278949 0.128852 -0.128748 0.176175 0.277928 1Rh 5pz -0.216778 0.035312 0.161925 -0.343095 -0.683361 0.000647 1Rh 5px -0.071290 0.154781 0.462977 0.140400 -0.146797 0.097788 1Rh 5py 0.271468 -0.505011 -0.205945 0.195266 -0.275441 -0.400068 1Rh 6pz 0.295326 0.087989 0.197002 0.910167 1.237276 0.234604 1Rh 6px 0.110223 -0.334747 -1.286262 -0.021644 0.200796 -0.483249 1Rh 6py -0.468887 0.298238 0.597094 -0.368500 0.590837 0.963764 1Rh 1dz2 -0.003723 0.004881 -0.007425 -0.010155 0.000433 0.000123 1Rh 1dxz 0.004504 0.001364 -0.007536 -0.003715 0.008645 0.001607 1Rh 1dyz -0.008952 0.000881 -0.000822 0.004072 -0.003398 -0.005904 1Rh 1dx2y2 0.002621 0.005470 -0.005131 0.007338 0.006204 -0.003462 1Rh 1dxy -0.004422 0.009095 0.001436 0.002126 0.001646 0.005517 1Rh 2dz2 0.002077 -0.002317 0.003639 0.002658 0.000588 0.000624 1Rh 2dxz -0.000441 0.000273 0.001451 0.001433 -0.001594 -0.000332 1Rh 2dyz 0.006019 -0.004214 0.002879 -0.000831 0.001879 0.002290 1Rh 2dx2y2 0.000476 -0.003053 0.000396 -0.002891 -0.001586 0.000337 1Rh 2dxy 0.001731 -0.001905 -0.000182 -0.001241 -0.000447 -0.000404 1Rh 3dz2 -0.000245 -0.001903 0.002505 0.013605 -0.003676 -0.003158 1Rh 3dxz -0.009359 -0.004631 0.012339 0.002896 -0.014867 -0.002601 1Rh 3dyz -0.005054 0.016644 -0.010889 -0.006505 0.000182 0.004575 1Rh 3dx2y2 -0.008703 -0.000274 0.011184 -0.005362 -0.008666 0.007183 1Rh 3dxy 0.002999 -0.013971 -0.002960 0.000377 -0.002351 -0.012107 1Rh 4dz2 0.042024 -0.037894 0.058779 0.043421 0.008489 0.010887 1Rh 4dxz -0.007365 0.004219 0.026139 0.022860 -0.021289 -0.004885 1Rh 4dyz 0.116675 -0.070308 0.049290 -0.016194 0.032113 0.038102 1Rh 4dx2y2 0.009109 -0.047589 0.004598 -0.048698 -0.023832 0.006067 1Rh 4dxy 0.037367 -0.036685 0.000973 -0.023110 -0.003274 -0.007699 1Rh 5dz2 -0.373440 0.190752 -0.299004 -0.159125 -0.043730 -0.060074 1Rh 5dxz 0.033581 -0.037469 -0.115253 -0.077572 0.007933 0.024509 1Rh 5dyz -0.970515 0.434489 -0.316011 0.138911 -0.210458 -0.189749 1Rh 5dx2y2 -0.108732 0.231836 0.026209 0.224893 0.074725 -0.039464 1Rh 5dxy -0.348838 0.189928 -0.064219 0.142084 -0.035264 0.033285 1Rh 1f0 -0.057967 0.007610 -0.036255 -0.075541 0.031600 0.095281 1Rh 1f+1 0.057964 -0.028957 0.050197 0.076659 0.120367 0.033621 1Rh 1f-1 -0.017712 0.018679 -0.018871 0.085597 0.065066 0.152193 1Rh 1f+2 -0.111451 0.048421 0.009474 -0.149781 -0.061180 0.012248 1Rh 1f-2 0.033539 -0.101131 0.134577 -0.065176 0.079378 0.185209 1Rh 1f+3 0.047913 0.021739 0.011766 0.112278 -0.002358 -0.081458 1Rh 1f-3 -0.043897 0.073842 0.021198 0.011071 0.026894 0.077157 2C 1s -0.007295 0.003727 -0.000803 -0.000066 -0.001722 -0.003092 2C 2s -0.025901 0.014238 -0.004080 -0.004919 -0.007591 -0.017249 2C 3s 0.408486 -0.290361 0.357589 0.314987 0.219343 0.516891 2C 4s -1.421447 1.174439 -2.107970 -1.646268 -1.033543 -2.299487 2C 5s 0.425325 0.148087 0.595066 0.126416 0.082776 0.017276 2C 1pz 0.070919 -0.092896 -0.109290 -0.114002 0.059671 -0.005297 2C 1px 0.004938 0.044077 -0.144612 -0.139523 -0.010828 -0.055549 2C 1py 0.041534 0.066986 0.090102 0.050113 -0.008681 0.012275 2C 2pz -0.725230 0.734700 -0.681112 -0.504815 -0.604859 -1.006592 2C 2px 0.217448 -0.183982 0.382340 0.216408 -0.141701 -0.055482 2C 2py -0.323774 0.030719 -1.006076 -0.743376 -0.274684 -0.757732 2C 3pz -0.128855 0.144638 -0.024045 -0.104535 -0.019809 -0.163275 2C 3px 0.032085 0.119669 -0.097659 -0.183507 -0.025901 -0.204613 2C 3py -0.044138 0.041582 0.099801 0.049371 0.000498 -0.103709 2C 1dz2 0.018741 -0.013564 0.017661 0.024542 0.026161 0.024609 2C 1dxz -0.006629 0.010902 -0.041240 -0.003437 -0.015294 -0.005170 2C 1dyz 0.014471 -0.026792 0.060604 0.049741 0.018866 0.059393 2C 1dx2y2 0.002653 -0.017832 -0.015693 -0.005298 0.014665 -0.013568 2C 1dxy -0.008254 0.022124 0.025285 0.029277 -0.021734 0.022964 2C 2dz2 -0.337423 0.236198 -0.297050 -0.223656 -0.168296 -0.388591 2C 2dxz 0.113374 0.004544 -0.137512 -0.148958 -0.153037 -0.175714 2C 2dyz -0.318368 0.210365 -0.507005 -0.436014 -0.263607 -0.616601 2C 2dx2y2 0.105588 -0.105071 0.236484 0.165397 0.064187 0.162386 2C 2dxy 0.088307 0.034318 0.006965 -0.059801 -0.096044 -0.119021 2C 1f0 -0.003385 -0.031572 -0.045530 -0.022546 0.033050 -0.032804 2C 1f+1 0.010526 0.022966 0.031619 0.015310 -0.026707 -0.005581 2C 1f-1 -0.018196 0.043155 -0.071303 -0.055845 -0.030042 -0.044833 2C 1f+2 0.019818 -0.003542 0.027603 0.033314 0.001158 0.037075 2C 1f-2 0.000740 0.011515 -0.099759 -0.060824 -0.025383 -0.055003 2C 1f+3 0.028656 -0.034756 -0.017294 -0.002380 0.011284 0.007919 2C 1f-3 0.007054 -0.016315 0.054611 0.022925 0.003158 0.014411 3C 1s 0.006868 -0.007051 0.002572 -0.002034 -0.000423 0.001174 3C 2s 0.020196 -0.025844 0.009978 -0.013035 -0.001200 0.011124 3C 3s -0.257640 0.597162 -0.102610 0.426399 -0.007645 -0.415396 3C 4s 0.875933 -2.647793 0.147389 -1.905518 0.080331 1.911183 3C 5s -0.667903 0.315252 0.703486 0.071433 -0.093695 -0.004423 3C 1pz -0.030764 0.151351 -0.021177 0.009844 0.088621 -0.013636 3C 1px 0.003544 0.009553 -0.060171 -0.090793 0.168511 0.071089 3C 1py 0.056842 0.069043 0.078320 0.005606 0.068195 -0.023835 3C 2pz 0.289542 -1.185987 -0.009608 -0.545792 -0.227225 0.563356 3C 2px -0.312561 -0.250767 0.262068 -0.000688 -0.657904 0.133310 3C 2py -0.345795 0.790994 -0.145508 0.882240 -0.322515 -0.896961 3C 3pz 0.067565 0.136352 -0.030140 0.027077 0.046765 -0.010674 3C 3px -0.106427 -0.112090 0.125683 -0.202481 -0.052692 0.097218 3C 3py -0.000785 0.234729 -0.207115 0.145616 0.020313 -0.189740 3C 1dz2 -0.007611 -0.006398 -0.007012 -0.012245 -0.006775 0.013281 3C 1dxz 0.018632 0.010991 -0.002316 0.001511 0.054373 0.008720 3C 1dyz 0.005248 -0.069792 -0.003005 -0.052325 0.004537 0.054241 3C 1dx2y2 0.007304 0.000855 -0.009125 -0.016989 0.027894 0.031710 3C 1dxy -0.013122 0.008923 -0.012542 -0.023243 0.013361 0.021337 3C 2dz2 0.065430 -0.018978 -0.039456 0.108353 -0.049998 -0.124376 3C 2dxz -0.047769 -0.155545 0.008361 -0.127058 -0.021658 0.158464 3C 2dyz -0.193457 0.516339 -0.025311 0.454841 -0.004032 -0.470675 3C 2dx2y2 -0.220316 0.445816 0.032086 0.354431 -0.114192 -0.340641 3C 2dxy 0.156083 0.261922 -0.078090 0.212162 0.129890 -0.280226 3C 1f0 0.010631 0.062153 -0.000638 0.007004 0.051916 -0.004253 3C 1f+1 -0.015645 0.018026 0.013274 0.008784 -0.036611 -0.006167 3C 1f-1 -0.004408 -0.053034 0.005046 -0.006039 -0.047928 0.000044 3C 1f+2 -0.035388 0.077132 0.027750 0.063198 -0.036551 -0.056292 3C 1f-2 0.003529 0.052373 -0.000523 0.034694 0.019144 -0.037314 3C 1f+3 -0.003727 0.002386 0.001292 -0.028510 0.070903 0.041910 3C 1f-3 0.004882 -0.007700 -0.013718 -0.000963 0.037665 0.014303 4C 1s 0.000605 -0.001831 -0.001438 0.008309 0.002229 0.011992 4C 2s 0.003973 -0.006050 -0.004796 0.028494 0.007514 0.041246 4C 3s -0.224898 0.111272 0.362790 -0.216425 -0.025565 -0.600760 4C 4s 1.093778 -0.555807 -1.689632 0.317613 0.021870 2.000131 4C 5s 0.074289 -0.093869 -0.954447 0.194188 -0.096392 0.813767 4C 1pz 0.128081 -0.117171 0.394655 0.259785 0.025228 0.213281 4C 1px -0.257671 0.030021 0.112269 0.066775 0.308972 0.010183 4C 1py -0.020298 -0.101171 0.192856 0.123509 0.150574 0.116134 4C 2pz -1.673041 0.930301 -2.496406 -1.580746 -0.102002 -1.598923 4C 2px 3.269113 -0.415316 -0.582289 -0.517623 -2.861881 -0.263681 4C 2py 0.204752 0.557580 -1.399642 -0.946689 -1.222933 -1.003571 4C 3pz 0.009131 0.367790 0.237321 0.329189 0.097324 0.137259 4C 3px -0.471610 0.334381 -0.324183 0.250080 -0.639411 -0.122610 4C 3py -0.241557 0.408666 -0.015768 0.182444 -0.158693 0.140735 4C 1dz2 -0.002571 -0.001328 0.029376 0.021647 -0.000525 0.035939 4C 1dxz 0.000880 -0.011428 0.004076 0.008290 0.004569 0.022368 4C 1dyz 0.013681 -0.015550 0.018362 0.039381 0.013453 0.039298 4C 1dx2y2 -0.004263 -0.005644 -0.012205 -0.020383 0.003641 -0.010152 4C 1dxy -0.002012 0.015543 0.019433 0.024362 -0.009567 0.022049 4C 2dz2 -0.707554 0.084950 0.353289 0.326715 0.619130 0.214207 4C 2dxz 1.455779 -0.318075 0.722265 0.135297 -0.677941 0.170021 4C 2dyz 0.196919 -0.059841 0.329215 0.300996 0.135670 0.496576 4C 2dx2y2 0.090590 0.123618 -0.436022 -0.120445 -0.309736 0.040931 4C 2dxy 1.170247 -0.458265 -0.155755 -0.050180 -0.466420 0.102795 4C 1f0 0.016126 0.021081 0.028768 0.018849 -0.013824 -0.012186 4C 1f+1 -0.012315 -0.004035 0.011452 0.022713 0.031821 -0.022631 4C 1f-1 -0.043619 -0.002386 0.033024 0.021773 0.017861 -0.008809 4C 1f+2 -0.025223 0.000664 -0.042168 -0.005465 0.023314 0.003818 4C 1f-2 0.002383 0.017857 0.025307 0.008747 -0.024556 -0.003600 4C 1f+3 -0.046245 0.027308 0.011808 0.010596 0.019056 0.008982 4C 1f-3 -0.049084 0.000042 0.049298 0.003258 0.021397 0.016039 5C 1s 0.001378 0.002766 -0.001298 0.011353 -0.001656 -0.011263 5C 2s 0.003869 0.009935 -0.004982 0.038793 -0.004924 -0.038701 5C 3s -0.035406 -0.007519 0.264855 -0.558793 -0.033047 0.543947 5C 4s -0.056084 -0.070229 -1.426276 1.808771 0.319506 -1.715945 5C 5s 0.671423 -0.350895 -0.717576 0.881806 0.078925 -0.824472 5C 1pz -0.097011 0.169429 0.063611 0.114638 -0.107482 -0.107721 5C 1px 0.248799 0.026078 -0.143318 -0.020285 0.077273 -0.103117 5C 1py 0.081987 -0.360890 -0.077853 -0.195909 0.026349 0.165693 5C 2pz 1.266482 -1.463954 -0.574786 -1.054228 0.669121 0.733365 5C 2px -3.232525 0.237938 1.358753 0.456411 -0.901706 1.003865 5C 2py -0.961840 2.477828 0.536019 1.473421 -0.276539 -1.265505 5C 3pz -0.019260 -0.172677 0.351096 0.150467 -0.094077 -0.245357 5C 3px 0.529535 -0.443125 0.453574 0.224055 0.080702 0.295933 5C 3py -0.164245 0.332437 -0.572468 -0.267723 0.107123 0.394717 5C 1dz2 -0.004260 -0.020347 0.003079 -0.005875 -0.022205 -0.000677 5C 1dxz 0.014884 0.013304 -0.001301 0.010801 0.021488 -0.011569 5C 1dyz -0.006229 -0.019175 -0.010829 -0.036424 0.008318 0.043094 5C 1dx2y2 -0.015593 -0.014608 -0.005461 -0.024239 0.005480 0.027535 5C 1dxy -0.009482 -0.002126 -0.010820 -0.033761 0.023540 0.039748 5C 2dz2 0.470848 -0.123881 -0.049660 -0.280971 0.272035 0.203317 5C 2dxz -0.871095 0.414447 0.437583 0.218820 -0.583521 -0.100846 5C 2dyz -0.618423 0.047171 0.264696 -0.206295 -0.236630 0.403806 5C 2dx2y2 -0.680252 -0.245029 0.061614 0.147646 -0.380589 0.159545 5C 2dxy 1.514079 -0.934814 -0.534343 -0.562492 0.298082 0.086455 5C 1f0 -0.047863 0.000340 -0.000203 0.012170 -0.029082 0.008388 5C 1f+1 0.030574 0.031137 -0.016774 -0.004846 0.043402 0.013010 5C 1f-1 -0.011325 0.000297 0.005602 -0.004751 0.023623 0.007058 5C 1f+2 0.022039 -0.014251 -0.023213 -0.003414 0.016591 -0.013661 5C 1f-2 0.040474 -0.022733 -0.028928 -0.009285 -0.000926 -0.022674 5C 1f+3 0.034305 -0.005873 0.016939 -0.019220 -0.027977 -0.006088 5C 1f-3 0.013709 -0.023518 -0.031450 0.014266 0.010015 0.003934 6C 1s -0.002423 0.002581 -0.001703 -0.011385 -0.000176 0.010619 6C 2s -0.007562 0.009342 -0.006387 -0.038815 0.000146 0.036519 6C 3s 0.090772 -0.000224 0.295230 0.554156 -0.093734 -0.480167 6C 4s -0.157343 -0.082739 -1.542624 -1.776629 0.489176 1.443673 6C 5s -0.664799 -0.409056 -0.788072 -0.868446 0.157673 0.734336 6C 1pz -0.083574 -0.177378 -0.063349 0.122098 0.093251 -0.120350 6C 1px 0.249602 -0.005095 0.145974 -0.034046 -0.080053 -0.102823 6C 1py 0.053478 0.363764 0.076522 -0.193221 0.006632 0.179569 6C 2pz 1.130614 1.557276 0.574406 -1.101247 -0.539026 0.786064 6C 2px -3.194782 -0.498928 -1.401588 0.584671 0.914979 0.953898 6C 2py -0.738832 -2.529548 -0.525106 1.466618 0.049395 -1.312085 6C 3pz -0.070533 0.161353 -0.343305 0.155878 0.067490 -0.359346 6C 3px 0.443713 0.479382 -0.449274 0.232043 -0.088866 0.232740 6C 3py -0.066774 -0.334822 0.555534 -0.272255 -0.050057 0.581622 6C 1dz2 0.006501 -0.019547 0.002824 0.003964 -0.022669 0.002900 6C 1dxz -0.015182 0.011337 -0.001641 -0.009162 0.024148 0.009102 6C 1dyz 0.007342 -0.018342 -0.009542 0.037116 0.002288 -0.042141 6C 1dx2y2 0.015220 -0.013362 -0.004750 0.024638 0.002403 -0.027121 6C 1dxy 0.008605 -0.001914 -0.009376 0.035719 0.018866 -0.040672 6C 2dz2 -0.442629 -0.162793 -0.041673 0.303615 0.240628 -0.207346 6C 2dxz 0.834996 0.490549 0.449798 -0.265823 -0.551762 0.151275 6C 2dyz 0.626777 0.100773 0.287486 0.182043 -0.268656 -0.358725 6C 2dx2y2 0.687874 -0.182261 0.059007 -0.186122 -0.390452 -0.132681 6C 2dxy -1.421576 -1.049846 -0.548176 0.593102 0.238968 -0.101470 6C 1f0 -0.046110 -0.004424 0.000067 0.014305 0.028912 0.007479 6C 1f+1 0.032005 -0.028352 0.016584 -0.008544 -0.042531 0.014895 6C 1f-1 -0.011414 -0.000748 -0.005928 -0.006199 -0.023942 0.008548 6C 1f+2 0.023122 0.016359 0.024423 -0.004804 -0.015828 -0.008675 6C 1f-2 0.041270 0.025792 0.030972 -0.009082 0.001231 -0.019364 6C 1f+3 0.031578 0.008093 -0.017617 -0.017641 0.027557 -0.012071 6C 1f-3 0.013199 0.024257 0.032636 0.013360 -0.009639 0.007150 7C 1s -0.000850 -0.001727 -0.001514 -0.007950 0.001901 -0.011266 7C 2s -0.004993 -0.005908 -0.005118 -0.027248 0.006363 -0.038794 7C 3s 0.244889 0.125681 0.362856 0.195928 0.016824 0.540005 7C 4s -1.177873 -0.642227 -1.682977 -0.237827 -0.168393 -1.753762 7C 5s -0.056870 -0.080221 -0.944824 -0.181339 -0.184958 -0.752447 7C 1pz 0.128228 0.127019 -0.383820 0.264526 -0.032522 0.216679 7C 1px -0.257154 -0.050391 -0.112826 0.047709 -0.306488 0.030052 7C 1py -0.024446 0.099155 -0.193298 0.117690 -0.155094 0.126901 7C 2pz -1.664713 -1.062274 2.420580 -1.604881 0.136391 -1.549291 7C 2px 3.258869 0.670654 0.615599 -0.332897 2.829874 -0.445049 7C 2py 0.219843 -0.542967 1.392565 -0.887433 1.235057 -1.048419 7C 3pz 0.040374 -0.376885 -0.242184 0.348461 -0.097242 0.321262 7C 3px -0.462007 -0.377210 0.330202 0.289091 0.605063 -0.099673 7C 3py -0.214814 -0.435041 0.003389 0.208820 0.155909 0.263305 7C 1dz2 0.003442 -0.000595 0.029386 -0.022070 -0.001782 -0.034491 7C 1dxz 0.001315 -0.010864 0.004253 -0.008055 0.004255 -0.021778 7C 1dyz -0.010832 -0.015657 0.017688 -0.038773 0.013574 -0.038341 7C 1dx2y2 0.003661 -0.005302 -0.011933 0.021469 0.003645 0.010036 7C 1dxy -0.000038 0.014929 0.019056 -0.025405 -0.009781 -0.020667 7C 2dz2 0.705831 0.138822 0.348468 -0.283900 0.618703 -0.231438 7C 2dxz -1.448736 -0.435992 0.696662 -0.194666 -0.653821 -0.107535 7C 2dyz -0.202806 -0.080109 0.322420 -0.292225 0.123488 -0.466733 7C 2dx2y2 -0.107078 0.118413 -0.429582 0.105881 -0.337293 -0.022581 7C 2dxy -1.154041 -0.542045 -0.166790 0.023241 -0.471988 -0.054661 7C 1f0 0.018175 -0.019068 -0.027538 0.020501 0.011141 -0.011515 7C 1f+1 -0.014085 0.002796 -0.010289 0.020582 -0.036368 -0.018258 7C 1f-1 -0.045217 -0.001698 -0.032710 0.021914 -0.020984 -0.003529 7C 1f+2 -0.024013 -0.002289 0.041472 -0.008414 -0.020907 0.002864 7C 1f-2 0.002806 -0.017548 -0.024798 0.011476 0.023244 -0.002776 7C 1f+3 -0.043976 -0.030337 -0.012672 0.009595 -0.019001 0.009848 7C 1f-3 -0.048374 -0.003341 -0.049667 0.002990 -0.020583 0.018599 8C 1s -0.005284 -0.007475 0.002625 0.001950 -0.000523 -0.000371 8C 2s -0.014613 -0.026973 0.010468 0.012723 -0.002406 -0.008024 8C 3s 0.165174 0.609239 -0.115430 -0.419540 0.046429 0.379198 8C 4s -0.533806 -2.685726 0.195410 1.876786 -0.180712 -1.817927 8C 5s 0.656746 0.378356 0.711554 -0.076406 -0.075867 0.195872 8C 1pz -0.013210 -0.150009 0.020912 -0.000010 -0.098027 -0.005077 8C 1px 0.010108 -0.001779 0.058491 -0.103761 -0.155073 0.090198 8C 1py 0.053272 -0.060725 -0.080748 -0.000073 -0.078785 -0.028928 8C 2pz 0.162928 1.189391 0.000475 -0.510910 0.333058 0.525273 8C 2px -0.355282 0.196150 -0.270105 0.054757 0.660542 0.053162 8C 2py -0.231697 -0.819619 0.176137 0.894910 0.221460 -0.862956 8C 3pz 0.072229 -0.127244 0.030719 0.016547 -0.054516 -0.034215 8C 3px -0.120353 0.106278 -0.135896 -0.200278 0.067975 0.074124 8C 3py 0.041130 -0.224967 0.211370 0.138210 -0.043066 -0.132643 8C 1dz2 0.008051 -0.005415 -0.006635 0.011957 -0.008679 -0.012906 8C 1dxz -0.019382 0.008254 -0.002112 0.002239 0.054779 -0.014066 8C 1dyz 0.000253 -0.069694 -0.001912 0.051477 -0.003534 -0.054439 8C 1dx2y2 -0.007421 -0.000351 -0.008412 0.019241 0.025011 -0.032599 8C 1dxy 0.011859 0.010010 -0.011613 0.024790 0.010499 -0.021112 8C 2dz2 -0.066778 -0.022684 -0.045827 -0.111343 -0.039616 0.120300 8C 2dxz 0.065410 -0.150277 0.013231 0.123303 -0.043145 -0.149398 8C 2dyz 0.129524 0.525543 -0.038851 -0.447939 0.059617 0.448750 8C 2dx2y2 0.169351 0.459179 0.024748 -0.357565 -0.066940 0.333943 8C 2dxy -0.187331 0.242983 -0.087316 -0.197833 0.163420 0.255128 8C 1f0 0.015193 -0.059613 -0.000043 0.002257 -0.054497 -0.002277 8C 1f+1 -0.014954 -0.020683 -0.013735 0.011821 0.035111 -0.010822 8C 1f-1 -0.008851 0.051436 -0.004444 -0.001626 0.049485 -0.002986 8C 1f+2 -0.029032 -0.079343 -0.027324 0.064881 0.027538 -0.061399 8C 1f-2 0.008212 -0.052084 0.001113 0.032946 -0.024715 -0.037176 8C 1f+3 -0.004395 -0.001588 -0.002991 -0.032625 -0.066978 0.047435 8C 1f-3 0.005200 0.008803 0.013831 -0.003477 -0.036492 0.018307 9C 1s 0.007825 0.004501 -0.000656 -0.000293 -0.001463 0.002213 9C 2s 0.027454 0.016853 -0.003532 0.003577 -0.006476 0.013978 9C 3s -0.424699 -0.328316 0.344171 -0.294207 0.203246 -0.474203 9C 4s 1.460238 1.302654 -2.047191 1.573930 -0.991862 2.171383 9C 5s -0.521342 0.097977 0.593842 -0.136886 0.089689 -0.179904 9C 1pz 0.067554 0.099285 0.104084 -0.120887 -0.054558 -0.011519 9C 1px 0.009370 -0.039335 0.145219 -0.144701 0.018474 -0.063949 9C 1py 0.054627 -0.060804 -0.082084 0.048837 0.012549 0.003542 9C 2pz -0.703437 -0.792229 0.670718 -0.460943 0.583875 -0.948620 9C 2px 0.202066 0.187965 -0.388139 0.246780 0.114490 -0.032047 9C 2py -0.363010 -0.067006 0.966066 -0.728381 0.256567 -0.712102 9C 3pz -0.117374 -0.151296 0.014603 -0.095322 0.009191 -0.104847 9C 3px 0.033134 -0.118989 0.092249 -0.183211 0.024625 -0.193596 9C 3py -0.038650 -0.050885 -0.093565 0.050948 -0.003921 -0.074555 9C 1dz2 -0.017598 -0.014808 0.017358 -0.023014 0.026362 -0.024407 9C 1dxz 0.007729 0.011699 -0.041385 0.003719 -0.014380 0.006480 9C 1dyz -0.012723 -0.027194 0.059234 -0.049423 0.018586 -0.058346 9C 1dx2y2 -0.001278 -0.017607 -0.015811 0.006901 0.015921 0.011635 9C 1dxy 0.006242 0.022007 0.024326 -0.031118 -0.021792 -0.021441 9C 2dz2 0.330466 0.261111 -0.286858 0.209667 -0.160489 0.363856 9C 2dxz -0.112503 -0.003693 -0.133063 0.136537 -0.149287 0.171506 9C 2dyz 0.325676 0.239268 -0.493844 0.421123 -0.250330 0.587569 9C 2dx2y2 -0.103797 -0.114657 0.231872 -0.163861 0.066679 -0.155792 9C 2dxy -0.092325 0.025526 0.006448 0.050588 -0.092573 0.116737 9C 1f0 -0.007606 0.030388 0.044026 -0.025500 -0.035400 -0.029717 9C 1f+1 0.012345 -0.020892 -0.030772 0.018080 0.025149 -0.006649 9C 1f-1 -0.016049 -0.043362 0.069091 -0.054332 0.031933 -0.046993 9C 1f+2 0.021722 0.006278 -0.028735 0.035044 -0.001573 0.037685 9C 1f-2 -0.001058 -0.011990 0.097671 -0.060631 0.025835 -0.055557 9C 1f+3 0.025553 0.035521 0.019160 -0.004967 -0.011917 0.007125 9C 1f-3 0.007033 0.017479 -0.054764 0.024494 -0.005030 0.016098 10H 1s 0.029596 -0.065844 0.033571 -0.011911 0.034327 -0.028464 10H 2s -0.026555 0.199008 -0.188319 -0.044388 -0.109690 0.067921 10H 3s -0.121915 -0.162890 0.176783 0.143536 0.149104 0.107525 10H 1pz -0.080504 -0.002523 -0.149717 -0.173346 0.029417 -0.128274 10H 1px -0.040042 -0.001057 -0.066982 -0.089788 -0.015230 -0.088071 10H 1py -0.066652 0.094355 0.001449 -0.042647 -0.044860 -0.084430 11H 1s -0.016292 0.006939 -0.272828 -0.144984 -0.002831 -0.123826 11H 2s 0.027819 0.057521 0.877431 0.571462 -0.033807 0.306722 11H 3s -0.166470 0.134955 -0.486070 -0.313771 -0.072511 -0.295900 11H 1pz -0.042724 0.061351 -0.033600 -0.019447 -0.064311 -0.141196 11H 1px 0.023294 0.029689 0.039953 -0.005776 -0.018484 -0.013180 11H 1py -0.036001 0.112377 -0.080363 -0.051490 -0.082509 -0.162691 12H 1s -0.054515 0.123753 -0.023610 -0.026100 -0.092148 -0.021221 12H 2s 0.097620 -0.443999 0.008792 0.069773 0.187084 0.073935 12H 3s -0.192425 0.238185 -0.033360 0.023353 -0.145941 -0.107923 12H 1pz -0.068150 0.033023 -0.181319 -0.175507 -0.083444 -0.143353 12H 1px -0.000410 -0.027397 -0.089761 -0.090874 -0.017739 -0.031945 12H 1py 0.000642 -0.002430 -0.007721 -0.023588 -0.032734 -0.044702 13H 1s -0.052930 0.030409 0.002171 0.000963 -0.097338 -0.006293 13H 2s 0.098961 -0.075329 -0.067577 -0.016918 0.320241 0.025100 13H 3s 0.151952 0.131053 -0.108255 0.133742 -0.109899 -0.135893 13H 1pz 0.033460 -0.001842 -0.007987 -0.072167 0.115654 0.063676 13H 1px 0.034567 -0.041403 -0.004324 -0.107576 0.064039 0.097529 13H 1py -0.047700 0.145469 0.059364 0.134522 0.034183 -0.101885 14H 1s 0.067189 -0.008756 -0.055187 -0.073389 0.211847 0.099158 14H 2s -0.163103 -0.079538 0.171584 0.278012 -0.705763 -0.275413 14H 3s 0.210825 -0.041834 -0.058540 -0.161931 0.265780 0.148913 14H 1pz -0.024174 -0.030057 0.036802 -0.012631 -0.036766 0.028165 14H 1px -0.018460 -0.028880 -0.000182 -0.001904 -0.030839 0.033938 14H 1py -0.012512 0.202778 0.001670 0.084997 0.070674 -0.163390 15H 1s 0.025528 -0.224910 -0.022306 -0.081537 -0.073637 0.057526 15H 2s -0.086331 0.754426 0.151432 0.199807 0.218200 -0.147898 15H 3s 0.137769 -0.594985 0.077187 -0.214652 -0.112112 0.178734 15H 1pz 0.024506 -0.132617 0.029168 -0.120493 0.032392 0.099268 15H 1px -0.010613 0.016167 -0.014549 -0.101802 0.137498 0.073424 15H 1py 0.011249 0.066389 -0.049721 0.111737 -0.009788 -0.109244 16H 1s -0.028412 0.021033 0.067977 -0.027072 0.034382 -0.000535 16H 2s -0.073263 -0.083716 -0.121644 0.011673 -0.114460 -0.008958 16H 3s -0.131195 -0.023552 -0.008300 0.131853 0.082208 0.090259 16H 1pz 0.128383 0.012361 -0.079092 -0.042178 0.013397 -0.040023 16H 1px 0.057054 -0.008642 -0.098470 0.059022 0.023323 0.047045 16H 1py -0.078933 -0.057913 -0.033601 0.110231 -0.086482 0.040224 17H 1s 0.011719 0.043444 0.062493 -0.057439 -0.006789 0.002326 17H 2s 0.126336 -0.112932 -0.204348 0.226777 0.088987 -0.079322 17H 3s 0.100234 0.086793 -0.030641 -0.150233 -0.036710 0.060040 17H 1pz 0.119944 0.041411 -0.001140 -0.101243 0.050905 -0.023805 17H 1px 0.044070 0.012604 -0.019498 -0.025454 0.002927 0.023729 17H 1py 0.060132 -0.031967 -0.113959 0.010409 0.032409 0.005453 18H 1s -0.019137 0.040737 0.063283 0.056833 -0.012406 0.001506 18H 2s -0.096822 -0.118576 -0.215026 -0.219942 0.118981 0.061171 18H 3s -0.111668 0.075191 -0.029884 0.150203 -0.051435 -0.054017 18H 1pz 0.121284 -0.029144 -0.000031 -0.107810 -0.043187 -0.023825 18H 1px 0.042591 -0.009043 0.018834 -0.025720 -0.002638 0.023743 18H 1py 0.056478 0.037177 0.116013 0.004156 -0.036404 0.010836 19H 1s 0.022508 0.022857 0.068601 0.028286 0.032423 -0.000544 19H 2s 0.095904 -0.079736 -0.122026 -0.019956 -0.108942 0.015182 19H 3s 0.132175 -0.009628 -0.007897 -0.126097 0.086758 -0.099300 19H 1pz 0.131452 -0.002997 0.080515 -0.048021 -0.012776 -0.041236 19H 1px 0.050541 0.014315 0.101557 0.053930 -0.028992 0.050952 19H 1py -0.087669 0.049608 0.033873 0.117460 0.077524 0.038034 20H 1s -0.008924 -0.223904 -0.023420 0.072437 -0.089737 -0.057896 20H 2s 0.028894 0.747864 0.159197 -0.173784 0.272181 0.153600 20H 3s -0.071928 -0.595153 0.078763 0.194533 -0.149827 -0.173872 20H 1pz 0.008094 0.133426 -0.031692 -0.120965 -0.021639 0.095839 20H 1px -0.008729 -0.012989 0.011252 -0.111090 -0.126528 0.082195 20H 1py 0.022089 -0.064668 0.054423 0.110482 -0.000569 -0.100336 21H 1s -0.067988 -0.019524 -0.053626 0.089092 0.202061 -0.119192 21H 2s 0.174519 -0.043237 0.165658 -0.331751 -0.675509 0.340356 21H 3s -0.199880 -0.071881 -0.052208 0.185062 0.254186 -0.175297 21H 1pz -0.030515 0.025513 -0.038230 -0.009446 0.036565 0.018938 21H 1px -0.020665 0.026521 0.000058 0.000735 0.036313 0.031922 21H 1py 0.011127 -0.198756 0.001288 0.077531 -0.091952 -0.152796 22H 1s 0.048950 0.037472 0.002361 -0.006996 -0.095704 0.014342 22H 2s -0.098087 -0.095653 -0.068541 0.038267 0.308080 -0.053233 22H 3s -0.152075 0.123732 -0.115301 -0.136578 -0.090373 0.145520 22H 1pz 0.031354 0.006867 0.005832 -0.081281 -0.109410 0.068065 22H 1px 0.027994 0.045410 0.001547 -0.111337 -0.049859 0.099190 22H 1py -0.032964 -0.146959 -0.057351 0.131410 -0.056922 -0.094995 23H 1s 0.044458 0.124714 -0.025450 0.021414 -0.097826 0.028997 23H 2s -0.058635 -0.438794 0.021373 -0.060272 0.208402 -0.096434 23H 3s 0.192775 0.257591 -0.040853 -0.031740 -0.147955 0.116647 23H 1pz -0.073928 -0.039915 0.173589 -0.171351 0.082112 -0.135550 23H 1px -0.002542 0.027864 0.088696 -0.093974 0.020137 -0.035530 23H 1py -0.001651 0.001405 0.007055 -0.021874 0.029443 -0.040699 24H 1s 0.021918 0.008399 -0.267837 0.150251 -0.002358 0.123929 24H 2s -0.050935 0.054813 0.855005 -0.591368 -0.022532 -0.313678 24H 3s 0.188309 0.150818 -0.470612 0.313057 -0.063649 0.289985 24H 1pz -0.041284 -0.064467 0.033211 -0.013010 0.055351 -0.130259 24H 1px 0.029309 -0.024392 -0.037270 -0.003529 0.020780 -0.016143 24H 1py -0.030733 -0.113876 0.081023 -0.045303 0.078515 -0.158538 25H 1s -0.026023 -0.065784 0.035278 0.012607 0.035429 0.025699 25H 2s 0.003775 0.191704 -0.195509 0.044596 -0.122952 -0.054425 25H 3s 0.144822 -0.146881 0.178552 -0.142439 0.154822 -0.120597 25H 1pz -0.082556 -0.003920 0.144551 -0.175993 -0.024412 -0.119764 25H 1px -0.042745 -0.001439 0.065274 -0.089818 0.015438 -0.086031 25H 1py -0.059287 -0.097353 -0.000568 -0.039441 0.045511 -0.081914 26O 1s 0.001694 -0.004303 0.000676 0.002800 0.002011 0.001372 26O 2s -0.003603 -0.011392 0.005074 0.008775 0.012029 0.002956 26O 3s 0.199950 0.013209 -0.092607 -0.060086 -0.183006 0.001172 26O 4s -1.036388 0.312749 0.300804 0.129732 0.738000 -0.060814 26O 5s -2.604477 -0.404807 1.842958 0.675752 2.338946 0.090416 26O 1pz 0.015602 -0.001163 0.035838 0.062073 0.015461 0.060066 26O 1px 0.080581 0.022183 -0.014441 -0.023580 -0.032387 -0.047010 26O 1py 0.030446 -0.026110 0.007453 -0.000897 0.000413 0.056023 26O 2pz 0.076520 -0.018012 -0.069397 -0.111850 -0.107101 -0.040011 26O 2px 0.852516 -0.122470 -0.321653 -0.170564 -0.645775 0.016652 26O 2py 0.366195 -0.049120 -0.169101 -0.094995 -0.294119 -0.045474 26O 3pz -0.780680 -0.248090 -0.121437 0.210933 0.176543 0.049843 26O 3px 1.002689 -0.259870 -0.953837 -0.303068 -1.226004 0.074018 26O 3py -0.007732 -0.015947 -0.121918 0.072406 -0.594518 0.058959 26O 1dz2 -0.003206 0.002292 -0.000774 0.006501 0.008293 -0.000396 26O 1dxz 0.001295 -0.001523 -0.000298 -0.000291 -0.000016 -0.001002 26O 1dyz 0.001541 0.003920 0.000573 0.001512 0.002165 0.005263 26O 1dx2y2 0.006544 0.000585 -0.002330 0.000928 -0.004540 -0.003562 26O 1dxy 0.006222 -0.001604 -0.001371 -0.001456 -0.003753 -0.000678 26O 2dz2 0.160112 -0.023500 -0.105190 -0.064597 -0.076852 -0.127980 26O 2dxz -0.008814 0.029057 0.016278 -0.110991 0.015363 -0.044195 26O 2dyz -0.061825 -0.009907 0.165082 -0.071506 0.076364 -0.102575 26O 2dx2y2 -0.278342 0.117095 0.108263 0.200285 0.175192 0.119968 26O 2dxy -0.264705 -0.055009 0.047455 0.040992 0.293698 -0.051458 26O 1f0 -0.005601 -0.000619 0.004150 -0.004579 0.001349 -0.001397 26O 1f+1 -0.014282 0.000985 0.012626 0.002745 0.011378 0.003578 26O 1f-1 -0.007870 -0.005374 0.009011 -0.002277 0.003088 -0.000793 26O 1f+2 -0.000955 0.002742 0.000300 0.003712 -0.000027 0.008335 26O 1f-2 0.008671 -0.002152 -0.003598 -0.000288 -0.008119 0.001305 26O 1f+3 -0.010058 -0.000809 0.007521 0.006577 0.008331 0.004916 26O 1f-3 -0.024740 -0.000666 0.016423 0.010021 0.026215 -0.001399 27O 1s -0.001898 0.003354 -0.004294 0.003091 -0.001215 -0.000746 27O 2s 0.001404 0.009018 -0.014426 0.005710 -0.001405 -0.001709 27O 3s -0.162392 -0.020006 0.093486 0.041887 -0.046192 0.007075 27O 4s 0.888082 -0.248978 -0.208076 -0.368362 0.389291 0.017445 27O 5s 2.413816 1.023109 -0.553431 -0.768787 0.381272 -0.586340 27O 1pz 0.021321 0.034717 -0.011902 0.042796 -0.016482 -0.046190 27O 1px -0.073490 -0.007203 0.010814 0.005152 0.009924 0.026261 27O 1py -0.026008 -0.045060 0.000752 -0.035293 -0.020556 0.080232 27O 2pz 0.047924 -0.015874 -0.007379 -0.077698 0.024524 0.027907 27O 2px -0.830633 0.029757 0.216270 0.238871 -0.264841 0.081997 27O 2py 0.182653 0.000186 -0.029375 -0.004005 0.044212 -0.070028 27O 3pz 0.632895 0.241188 -0.212128 0.045371 0.384261 -0.058463 27O 3px -0.855965 0.031210 0.096941 0.453071 -0.274804 0.196825 27O 3py -0.650412 -0.037876 0.134662 -0.162693 0.245975 -0.024626 27O 1dz2 0.005462 0.002019 -0.003277 0.001380 0.002309 0.000999 27O 1dxz 0.001335 0.002494 -0.002633 0.000352 0.000773 0.000018 27O 1dyz -0.000066 0.002857 0.001099 -0.005113 -0.004034 0.002346 27O 1dx2y2 -0.009833 0.002987 0.002711 0.001789 -0.003244 0.005797 27O 1dxy 0.003420 -0.002673 0.001341 -0.000580 -0.001704 0.000233 27O 2dz2 -0.201966 0.081680 -0.026406 0.096721 0.043300 0.002849 27O 2dxz -0.144163 -0.006423 0.024053 -0.099632 -0.124511 0.053299 27O 2dyz 0.015062 -0.067401 0.004009 0.016868 0.013634 -0.081904 27O 2dx2y2 0.327857 -0.012779 -0.084163 0.062362 0.025166 -0.180337 27O 2dxy -0.016525 -0.119165 0.058260 0.158654 -0.114757 -0.077740 27O 1f0 -0.005509 -0.006591 0.000917 -0.000376 0.000295 0.001490 27O 1f+1 0.018004 0.001960 -0.003299 -0.006312 0.001223 -0.006775 27O 1f-1 -0.004457 -0.000378 0.000741 0.004209 0.001443 0.001627 27O 1f+2 0.006108 -0.004916 -0.002059 0.004856 0.003302 -0.005161 27O 1f-2 0.005761 -0.001843 -0.003181 0.003304 0.003447 -0.002355 27O 1f+3 0.017546 0.008741 -0.003452 -0.001877 0.004544 -0.004949 27O 1f-3 -0.009642 -0.004857 0.005324 0.006812 -0.004448 -0.006011 28O 1s -0.000119 -0.002451 -0.000321 -0.001280 0.000312 -0.000058 28O 2s 0.007119 -0.008808 0.002019 -0.003190 -0.003887 -0.000403 28O 3s -0.194016 0.072883 -0.084231 -0.004736 0.117493 0.005315 28O 4s 0.966235 -0.232977 0.413914 0.083002 -0.617873 -0.017859 28O 5s 2.580420 -0.682317 1.766230 0.463492 -1.096131 0.134932 28O 1pz 0.016790 -0.016803 0.014994 0.055989 0.017560 0.045957 28O 1px 0.072606 -0.024141 0.017329 0.051468 0.010815 0.026645 28O 1py 0.015874 -0.010604 0.045933 0.044550 0.003957 0.056717 28O 2pz -0.586280 0.166727 -0.332529 -0.101491 0.288951 -0.079717 28O 2px 0.680184 -0.190052 0.331893 0.084530 -0.365608 0.031531 28O 2py -0.089232 0.051842 -0.085812 -0.031781 0.038516 -0.052656 28O 3pz 0.014405 -0.100687 -0.027343 -0.139008 0.764688 0.409701 28O 3px 1.218668 -0.267910 0.985511 0.100088 -0.742354 0.165406 28O 3py 0.575316 -0.555213 0.065809 0.021419 0.359490 0.107609 28O 1dz2 0.002889 -0.000143 0.001040 0.004971 0.001294 -0.000099 28O 1dxz 0.010379 -0.000615 0.004283 0.002832 -0.007779 0.001899 28O 1dyz 0.000289 -0.003059 0.004229 0.001763 -0.001701 0.004945 28O 1dx2y2 -0.006772 0.005324 -0.001608 -0.001551 0.001622 -0.004033 28O 1dxy 0.001076 -0.000875 -0.000274 -0.001262 -0.001625 0.000097 28O 2dz2 0.008282 0.039413 -0.184682 -0.082624 0.007451 -0.160618 28O 2dxz -0.305156 0.115449 -0.087113 -0.084420 0.156015 -0.015781 28O 2dyz 0.021961 0.057608 0.193922 -0.037054 -0.124113 -0.024533 28O 2dx2y2 0.232020 -0.029146 0.189253 0.028693 -0.059038 0.064488 28O 2dxy 0.007276 -0.199336 0.022368 -0.050720 0.154659 -0.005317 28O 1f0 0.006138 -0.004718 0.005302 0.001682 -0.004034 0.001953 28O 1f+1 0.009464 -0.003153 0.006944 -0.001432 -0.008747 -0.001690 28O 1f-1 -0.006061 0.003174 -0.001769 -0.001880 0.008660 -0.003578 28O 1f+2 -0.022133 0.005243 -0.013138 -0.006562 0.011046 -0.001298 28O 1f-2 0.006932 -0.001915 0.005665 0.002605 -0.001276 0.000006 28O 1f+3 -0.013325 0.001342 -0.011575 -0.006705 0.009356 -0.004967 28O 1f-3 -0.002717 0.004618 -0.001827 -0.000705 -0.002730 -0.004863 29O 1s 0.000060 0.000602 0.000521 -0.000891 0.000525 -0.000630 29O 2s -0.000078 0.003084 0.004731 -0.004446 0.002193 -0.001943 29O 3s 0.006936 -0.043531 -0.091700 0.061739 -0.024923 0.007489 29O 4s -0.032744 0.167543 0.419507 -0.248727 0.087700 -0.016335 29O 5s 0.006479 -0.171571 -0.607775 0.274388 -0.112245 0.116978 29O 1pz -0.004651 -0.006482 -0.003529 0.026225 0.003754 -0.002856 29O 1px -0.009741 0.021918 0.044553 -0.029338 0.011735 0.004154 29O 1py -0.006120 0.041272 0.069821 -0.036265 0.016312 0.008998 29O 2pz 0.089633 0.020954 -0.027534 -0.055765 -0.031889 -0.013144 29O 2px 0.034314 0.015850 -0.001320 -0.023120 -0.001064 -0.003723 29O 2py -0.001434 -0.064055 -0.109535 0.070743 -0.027074 -0.010417 29O 3pz -0.318223 -0.088578 -0.040016 0.046316 -0.007054 0.077541 29O 3px -0.140828 0.057263 0.358128 -0.214309 -0.004705 -0.061315 29O 3py 0.083984 0.049672 0.079290 -0.014701 0.071475 -0.130842 29O 1dz2 0.000565 -0.000425 -0.000032 -0.000507 -0.001631 0.000127 29O 1dxz -0.001973 -0.000268 0.000683 0.000129 0.001568 -0.000227 29O 1dyz 0.001282 0.000006 -0.001374 -0.001543 0.002476 -0.000511 29O 1dx2y2 -0.000598 -0.000760 -0.000349 -0.000063 0.000773 0.000623 29O 1dxy -0.000100 0.000319 0.001270 -0.000840 0.001795 -0.000724 29O 2dz2 0.058631 0.040433 0.029237 -0.061623 0.020976 -0.014678 29O 2dxz -0.100211 -0.002557 0.028862 0.060655 -0.021644 0.071966 29O 2dyz -0.014519 -0.019847 0.012141 0.103699 0.003765 -0.008550 29O 2dx2y2 -0.026692 -0.002985 0.031974 0.036879 0.002189 -0.049521 29O 2dxy -0.025853 -0.036429 -0.057351 0.080311 0.009486 0.057775 29O 1f0 0.004601 -0.002871 -0.008438 0.004807 -0.002373 -0.001499 29O 1f+1 0.001910 0.001593 0.002354 -0.002386 -0.000254 0.000306 29O 1f-1 0.006396 -0.002812 -0.010157 0.004447 -0.003830 -0.000961 29O 1f+2 -0.001726 0.001439 0.003215 -0.000549 0.002403 0.000258 29O 1f-2 -0.007574 -0.005386 -0.004796 0.006783 0.000750 0.000590 29O 1f+3 0.002341 0.002885 0.002203 -0.002847 0.000163 -0.000901 29O 1f-3 0.004388 0.002802 0.000732 -0.002819 -0.001138 0.000452 30O 1s -0.001652 0.003177 -0.004249 -0.001125 0.001055 0.000483 30O 2s -0.013667 0.013402 -0.007891 -0.001593 0.000307 0.002526 30O 3s 0.246784 -0.149350 -0.072579 -0.033571 0.064656 -0.032431 30O 4s -1.118263 0.541126 0.647584 0.226988 -0.420443 0.110835 30O 5s -2.751005 1.963651 1.096919 0.747834 -0.756378 0.367039 30O 1pz 0.038044 0.024887 -0.010813 0.016564 0.025564 -0.022823 30O 1px -0.052140 0.045852 -0.003018 0.078040 -0.029980 -0.051519 30O 1py -0.021943 -0.019710 -0.007585 -0.060623 0.027546 0.056999 30O 2pz 0.469274 -0.321963 -0.224917 -0.137277 0.160806 -0.009443 30O 2px -0.681272 0.364701 0.324598 0.174456 -0.250048 0.059266 30O 2py -0.505500 0.363247 0.256004 0.153668 -0.173894 -0.020910 30O 3pz 0.226662 -0.224920 -0.704908 -0.005293 -0.200466 -0.440383 30O 3px -1.386974 1.080140 0.710288 0.298456 -0.499234 0.032135 30O 3py 0.062831 -0.300612 0.748699 -0.194586 -0.358771 0.363035 30O 1dz2 -0.000981 -0.000424 -0.003498 0.002709 0.001229 0.002661 30O 1dxz -0.006353 0.002735 0.004006 0.005154 -0.005990 -0.001447 30O 1dyz -0.002806 -0.002180 0.000077 -0.002242 0.000896 0.000706 30O 1dx2y2 0.004511 -0.004355 -0.000794 -0.004903 0.003510 0.003902 30O 1dxy 0.006058 -0.006529 -0.006354 -0.002668 0.001705 0.001659 30O 2dz2 0.118726 -0.043471 -0.115914 0.013779 0.280177 0.122566 30O 2dxz 0.241835 -0.198775 -0.136416 -0.112082 -0.034948 -0.024049 30O 2dyz 0.248892 -0.178098 -0.118295 0.052623 -0.030565 -0.152697 30O 2dx2y2 -0.085734 0.274043 0.002447 0.094951 -0.034173 -0.115095 30O 2dxy -0.203525 -0.027796 0.082012 0.122925 -0.215211 -0.055495 30O 1f0 -0.016437 0.015034 0.013096 0.006385 -0.004954 -0.001482 30O 1f+1 0.001741 -0.001877 0.001086 -0.005164 0.001667 0.002785 30O 1f-1 -0.003940 0.003531 0.001375 0.001489 -0.001906 0.001112 30O 1f+2 0.005183 -0.004753 -0.001441 -0.003340 -0.000345 0.001650 30O 1f-2 0.024210 -0.014372 -0.011324 -0.007389 0.009621 -0.001352 30O 1f+3 -0.002216 -0.002598 -0.000765 -0.003715 0.002136 0.006509 30O 1f-3 0.011311 -0.005274 -0.008270 -0.003645 0.006244 -0.002548 31O 1s 0.001118 0.003223 -0.004272 0.001256 0.000829 -0.000648 31O 2s 0.011869 0.014252 -0.007782 0.001691 -0.000165 -0.002639 31O 3s -0.234267 -0.168189 -0.076927 0.039587 0.061881 0.023531 31O 4s 1.087219 0.631675 0.669553 -0.267976 -0.392536 -0.054253 31O 5s 2.586868 2.171425 1.155060 -0.816478 -0.684433 -0.303642 31O 1pz 0.039390 -0.021943 0.011969 0.014742 -0.027719 -0.019808 31O 1px -0.047190 -0.049683 0.003091 0.078289 0.020267 -0.054172 31O 1py -0.024881 0.017527 0.004942 -0.062044 -0.018325 0.058756 31O 2pz 0.443265 0.357908 0.232845 -0.151682 -0.144271 0.010474 31O 2px -0.655909 -0.419749 -0.336446 0.197020 0.231401 0.026350 31O 2py -0.476037 -0.401082 -0.263619 0.169739 0.154424 -0.041612 31O 3pz 0.249766 0.241481 0.728641 -0.013907 0.190607 -0.436771 31O 3px -1.298021 -1.185095 -0.732280 0.349420 0.462542 -0.008353 31O 3py -0.004706 0.299886 -0.770516 -0.145920 0.368679 0.314789 31O 1dz2 0.001008 -0.000262 -0.003472 -0.002482 0.001262 -0.002581 31O 1dxz 0.006090 0.003283 0.003984 -0.005684 -0.005474 0.001864 31O 1dyz 0.003205 -0.001985 0.000212 0.002233 0.000702 -0.000932 31O 1dx2y2 -0.004057 -0.004723 -0.000721 0.005019 0.002794 -0.004427 31O 1dxy -0.005540 -0.006932 -0.006409 0.002996 0.001277 -0.001616 31O 2dz2 -0.115268 -0.057060 -0.115170 0.009697 0.279108 -0.144054 31O 2dxz -0.227975 -0.214933 -0.141357 0.110611 -0.045544 0.019363 31O 2dyz -0.230459 -0.195539 -0.127705 -0.052030 -0.023519 0.150086 31O 2dx2y2 0.060082 0.276491 0.000988 -0.094693 -0.018055 0.121511 31O 2dxy 0.204083 -0.010127 0.084402 -0.138066 -0.200765 0.072961 31O 1f0 -0.015458 -0.016173 -0.013351 0.007029 0.004034 -0.002190 31O 1f+1 0.001574 0.002115 -0.001250 -0.005264 -0.001216 0.002926 31O 1f-1 -0.003706 -0.003921 -0.001475 0.001630 0.001748 0.000750 31O 1f+2 0.005053 0.005114 0.001577 -0.003218 0.000857 0.001784 31O 1f-2 0.023453 0.016318 0.011788 -0.008120 -0.008756 0.000299 31O 1f+3 -0.002762 0.002291 0.000546 -0.003897 -0.001480 0.006167 31O 1f-3 0.011323 0.006265 0.008556 -0.004242 -0.005856 -0.001578 32O 1s -0.000530 0.000570 0.000528 0.000954 0.000434 0.000681 32O 2s -0.001437 0.002966 0.004760 0.004646 0.001788 0.002140 32O 3s 0.002460 -0.042525 -0.092087 -0.062976 -0.019882 -0.009284 32O 4s 0.023510 0.164294 0.420553 0.249150 0.069456 0.020962 32O 5s -0.052789 -0.165695 -0.604488 -0.265951 -0.101102 -0.115690 32O 1pz -0.005406 0.006194 0.004875 0.027231 -0.007034 -0.001421 32O 1px -0.007952 -0.022385 -0.044882 -0.029392 -0.007622 0.003953 32O 1py -0.000774 -0.041350 -0.070207 -0.036456 -0.011101 0.007983 32O 2pz 0.090184 -0.014402 0.025095 -0.057178 0.036502 -0.017791 32O 2px 0.037238 -0.012694 0.000527 -0.024433 0.001806 -0.005264 32O 2py -0.007543 0.061896 0.110532 0.070264 0.020816 -0.008968 32O 3pz -0.323313 0.062728 0.032606 0.048553 0.005080 0.077796 32O 3px -0.145745 -0.066545 -0.364827 -0.205597 0.023715 -0.069126 32O 3py 0.071484 -0.040237 -0.075427 -0.014904 -0.078482 -0.126098 32O 1dz2 -0.000354 -0.000513 0.000093 0.000298 -0.001745 -0.000051 32O 1dxz 0.001779 -0.000098 0.000764 -0.000087 0.001516 0.000089 32O 1dyz -0.001383 -0.000123 -0.001401 0.001785 0.002356 0.000358 32O 1dx2y2 0.001087 -0.000740 -0.000304 -0.000005 0.000742 -0.000809 32O 1dxy 0.000173 0.000282 0.001276 0.000950 0.001798 0.000596 32O 2dz2 -0.065125 0.037373 0.030126 0.066323 0.015328 0.015338 32O 2dxz 0.098966 0.005725 0.030602 -0.059983 -0.024047 -0.071237 32O 2dyz 0.017584 -0.015396 0.012654 -0.103646 0.011235 0.006090 32O 2dx2y2 0.023916 0.000482 0.032821 -0.034039 0.003738 0.050680 32O 2dxy 0.034161 -0.033306 -0.058505 -0.078182 0.016226 -0.062260 32O 1f0 0.003704 0.002886 0.007983 0.004601 0.001794 -0.001378 32O 1f+1 0.002252 -0.001574 -0.002716 -0.002713 0.000345 0.000159 32O 1f-1 0.005813 0.003358 0.010597 0.004826 0.003409 -0.001067 32O 1f+2 -0.001234 -0.001763 -0.003660 -0.001017 -0.002436 0.000379 32O 1f-2 -0.008091 0.004569 0.004649 0.006765 -0.001310 0.001034 32O 1f+3 0.002741 -0.002486 -0.002031 -0.002681 -0.000002 -0.001099 32O 1f-3 0.004808 -0.002401 -0.000665 -0.002816 0.001527 0.000159 33O 1s -0.000039 -0.002498 -0.000373 0.001360 0.000112 0.000037 33O 2s -0.007466 -0.009546 0.001728 0.003027 -0.004218 0.000567 33O 3s 0.192677 0.089038 -0.079722 0.014148 0.112871 -0.010172 33O 4s -0.951312 -0.310538 0.395563 -0.135373 -0.585737 0.046455 33O 5s -2.541080 -0.885637 1.699030 -0.565179 -0.996358 -0.030826 33O 1pz 0.016122 0.017735 -0.013520 0.054303 -0.018040 0.046219 33O 1px 0.070400 0.028678 -0.015285 0.051003 -0.013484 0.027096 33O 1py 0.016966 0.011016 -0.045792 0.045483 -0.003259 0.055587 33O 2pz -0.580575 -0.213669 0.318370 -0.127100 -0.272927 -0.060144 33O 2px 0.671767 0.243513 -0.319035 0.117376 0.345470 0.013503 33O 2py -0.089228 -0.059613 0.083018 -0.035722 -0.039384 -0.047185 33O 3pz 0.047895 0.107217 0.010930 -0.191769 -0.699331 0.422422 33O 3px 1.207841 0.368446 -0.957545 0.167677 0.712971 0.104421 33O 3py 0.554554 0.596341 -0.056363 -0.007444 -0.343658 0.102648 33O 1dz2 -0.003076 -0.000340 0.000905 -0.004884 0.001757 -0.000072 33O 1dxz -0.010292 -0.001416 0.004039 -0.003426 -0.007518 -0.001179 33O 1dyz -0.000407 -0.003076 0.004205 -0.001970 -0.001909 -0.004733 33O 1dx2y2 0.006425 0.005756 -0.001564 0.001768 0.001686 0.004004 33O 1dxy -0.000958 -0.000954 -0.000326 0.001215 -0.001680 0.000306 33O 2dz2 -0.004929 0.040352 -0.183451 0.087675 0.021951 0.158834 33O 2dxz 0.297368 0.137389 -0.077718 0.096079 0.145284 0.006182 33O 2dyz -0.032785 0.049814 0.191298 0.026113 -0.122098 0.030647 33O 2dx2y2 -0.238655 -0.047959 0.184744 -0.036569 -0.055598 -0.062477 33O 2dxy 0.004094 -0.196057 0.023538 0.061950 0.150402 -0.000099 33O 1f0 0.005754 0.005078 -0.005116 0.002133 0.003923 0.001910 33O 1f+1 0.009157 0.003883 -0.006727 -0.000579 0.008222 -0.001569 33O 1f-1 -0.006203 -0.003718 0.001528 -0.002412 -0.008643 -0.002793 33O 1f+2 -0.021566 -0.006949 0.012622 -0.007614 -0.009989 -0.001118 33O 1f-2 0.006977 0.002494 -0.005547 0.002884 0.000996 0.000254 33O 1f+3 -0.013383 -0.002415 0.011158 -0.007567 -0.008903 -0.004386 33O 1f-3 -0.002467 -0.004705 0.001817 -0.000562 0.002415 -0.004853 34O 1s 0.001419 0.003516 -0.004348 -0.002991 -0.000966 0.000785 34O 2s -0.002545 0.008931 -0.014550 -0.005162 -0.000907 0.001846 34O 3s 0.161065 -0.006910 0.093508 -0.050002 -0.044542 -0.008419 34O 4s -0.840943 -0.321906 -0.205789 0.406746 0.367299 -0.021981 34O 5s -2.471366 0.824147 -0.551471 0.846906 0.367123 0.575850 34O 1pz 0.026929 -0.032389 0.013554 0.043372 0.012261 -0.045941 34O 1px -0.073990 0.001740 -0.011658 0.004918 -0.007934 0.027053 34O 1py -0.031093 0.041570 -0.003401 -0.033471 0.029377 0.077911 34O 2pz 0.047278 0.020579 0.006552 -0.079291 -0.018198 0.028045 34O 2px -0.810583 -0.097937 -0.217551 0.271511 0.254602 0.082315 34O 2py 0.178827 0.014596 0.030053 -0.011377 -0.051645 -0.071112 34O 3pz 0.642628 -0.184241 0.221031 0.009816 -0.387890 -0.024477 34O 3px -0.803177 -0.099500 -0.084331 0.494762 0.267062 0.206030 34O 3py -0.672528 -0.011154 -0.148559 -0.174715 -0.241436 -0.020461 34O 1dz2 -0.005447 0.001608 -0.003350 -0.001129 0.002214 -0.001260 34O 1dxz -0.001660 0.002326 -0.002709 -0.000228 0.000659 0.000132 34O 1dyz -0.000235 0.002830 0.001180 0.004745 -0.004483 -0.001947 34O 1dx2y2 0.009491 0.003863 0.002844 -0.002165 -0.003526 -0.005556 34O 1dxy -0.002906 -0.002807 0.001386 0.000436 -0.001658 -0.000223 34O 2dz2 0.194323 0.096548 -0.028688 -0.096814 0.045465 -0.014401 34O 2dxz 0.139668 0.008110 0.025970 0.088643 -0.134877 -0.041444 34O 2dyz -0.014780 -0.070725 -0.000311 -0.019906 0.019339 0.074686 34O 2dx2y2 -0.318319 -0.036668 -0.090253 -0.054616 0.043314 0.186345 34O 2dxy 0.030654 -0.114718 0.053174 -0.168870 -0.096017 0.087518 34O 1f0 -0.006094 0.006059 -0.001032 -0.000327 -0.000130 0.001582 34O 1f+1 0.017685 -0.000504 0.003300 -0.006818 -0.001420 -0.007461 34O 1f-1 -0.004329 0.000006 -0.000748 0.004178 -0.001586 0.002008 34O 1f+2 0.005493 0.005357 0.002202 0.004490 -0.004132 -0.004835 34O 1f-2 0.005484 0.002328 0.003325 0.002890 -0.003745 -0.002164 34O 1f+3 0.017681 -0.007283 0.003528 -0.002523 -0.004717 -0.005239 34O 1f-3 -0.009728 0.004054 -0.005101 0.007467 0.003552 -0.005521 35O 1s -0.001613 -0.004451 0.000608 -0.002649 0.002121 -0.001356 35O 2s 0.003896 -0.011178 0.004930 -0.007985 0.012444 -0.003449 35O 3s -0.201715 -0.001586 -0.093020 0.049368 -0.186925 0.013202 35O 4s 1.034536 0.388843 0.305503 -0.085903 0.748546 -0.010028 35O 5s 2.635210 -0.202142 1.859332 -0.549170 2.375417 -0.199741 35O 1pz 0.018987 0.002422 -0.033759 0.061331 -0.013442 0.059519 35O 1px 0.080524 -0.015266 0.015835 -0.021295 0.031658 -0.048739 35O 1py 0.029254 0.028350 -0.007753 -0.001766 0.002818 0.053896 35O 2pz 0.077327 0.024691 0.067955 -0.105900 0.112082 -0.047708 35O 2px 0.851523 0.187457 0.325544 -0.133225 0.653956 -0.038462 35O 2py 0.367833 0.078192 0.171461 -0.078305 0.298308 -0.069057 35O 3pz -0.792433 0.175187 0.114424 0.190561 -0.181938 0.054573 35O 3px 1.030732 0.332943 0.956314 -0.245707 1.256474 -0.003405 35O 3py 0.019000 0.013113 0.122620 0.109607 0.600936 0.015799 35O 1dz2 0.003265 0.002552 -0.000901 -0.005900 0.008653 -0.000102 35O 1dxz -0.001718 -0.001718 -0.000448 0.000343 -0.000139 0.000800 35O 1dyz -0.001818 0.003777 0.000533 -0.001334 0.001886 -0.005318 35O 1dx2y2 -0.006493 0.000073 -0.002412 -0.001211 -0.004120 0.003924 35O 1dxy -0.006373 -0.002122 -0.001484 0.001247 -0.003782 0.000798 35O 2dz2 -0.156289 -0.038029 -0.105932 0.061482 -0.072019 0.134952 35O 2dxz -0.005812 0.023124 0.018301 0.113218 0.008978 0.049099 35O 2dyz 0.062025 -0.006051 0.165609 0.073536 0.080821 0.101771 35O 2dx2y2 0.275882 0.138187 0.111870 -0.192749 0.182836 -0.136325 35O 2dxy 0.270319 -0.032304 0.047640 -0.021345 0.301182 0.026670 35O 1f0 -0.005534 0.000295 -0.004287 -0.004612 -0.001140 -0.001029 35O 1f+1 -0.014380 -0.002049 -0.012815 0.002279 -0.011422 0.004596 35O 1f-1 -0.007852 0.004845 -0.009110 -0.002317 -0.002973 -0.000487 35O 1f+2 -0.001087 -0.002885 -0.000345 0.003700 0.000252 0.008134 35O 1f-2 0.008598 0.002806 0.003669 0.000113 0.008166 0.000386 35O 1f+3 -0.010113 0.000024 -0.007496 0.006187 -0.008301 0.005542 35O 1f-3 -0.025061 -0.001350 -0.016411 0.008635 -0.026880 0.000863 366 367 368 369 370 371 1.90019 1.90388 1.91439 1.92831 1.94640 1.95430 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s -0.000500 0.000006 -0.000173 0.000492 -0.000291 0.000006 0Rh 2s 0.000836 0.000792 0.001317 -0.002790 0.000244 -0.000061 0Rh 3s -0.002427 0.000519 -0.000209 0.001184 -0.001561 -0.000001 0Rh 4s -0.003925 -0.004005 -0.006551 0.013798 -0.000939 0.000299 0Rh 5s -0.004543 0.010316 0.011508 -0.020253 -0.007730 -0.000475 0Rh 6s 0.043050 -0.015908 -0.004388 -0.007771 0.041510 -0.000325 0Rh 7s 0.161322 -0.176780 -0.006734 0.093008 -0.300950 0.068518 0Rh 8s 0.155030 -0.092437 -0.022309 0.153631 -0.042834 0.001152 0Rh 1pz -0.007697 0.005074 -0.011827 0.013296 -0.011551 -0.000953 0Rh 1px 0.000709 0.000353 -0.012224 0.009527 0.019463 0.001431 0Rh 1py 0.012729 -0.010901 0.007745 0.019899 -0.011372 -0.002213 0Rh 2pz 0.026290 -0.017291 0.040079 -0.044945 0.040045 0.003017 0Rh 2px -0.001947 -0.001488 0.042121 -0.033023 -0.067865 -0.004899 0Rh 2py -0.043321 0.037114 -0.026353 -0.068069 0.038463 0.007911 0Rh 3pz -0.004962 0.001879 0.000020 -0.001903 -0.017673 0.005344 0Rh 3px -0.010795 0.006600 -0.014546 0.015672 0.039267 0.000983 0Rh 3py 0.002434 -0.003459 0.002057 0.012691 0.002145 -0.009405 0Rh 4pz -0.140093 0.101464 -0.247920 0.281475 -0.185466 -0.045026 0Rh 4px 0.063928 -0.022113 -0.204910 0.142561 0.271426 0.026115 0Rh 4py 0.268746 -0.218125 0.156594 0.374323 -0.248369 -0.006848 0Rh 5pz 0.221465 -0.175255 0.392614 -0.438361 0.317048 0.096434 0Rh 5px -0.170190 0.077428 0.331238 -0.228448 -0.455338 -0.041536 0Rh 5py -0.473584 0.362960 -0.257018 -0.602647 0.403617 -0.014256 0Rh 6pz -0.789631 0.268762 -0.766841 0.975128 -0.685662 -0.335687 0Rh 6px 0.706727 -0.391481 -0.708730 0.572873 1.399101 0.007734 0Rh 6py 0.600606 -1.133744 0.536519 1.132430 -0.896355 0.109940 0Rh 1dz2 0.003624 -0.003645 -0.008191 -0.003209 -0.011755 -0.010267 0Rh 1dxz -0.001696 0.001415 -0.001927 -0.010122 -0.008123 0.000099 0Rh 1dyz -0.007871 -0.012444 0.005474 0.000987 0.002701 0.003144 0Rh 1dx2y2 0.005732 -0.004452 -0.009260 0.000862 0.003959 -0.003153 0Rh 1dxy -0.007235 -0.001697 -0.001482 -0.002112 0.003881 -0.005594 0Rh 2dz2 -0.000899 0.000293 0.000307 0.002275 0.001763 0.001361 0Rh 2dxz 0.000302 -0.000376 0.000393 0.001359 0.003465 -0.000619 0Rh 2dyz -0.000481 0.000944 -0.001921 0.001200 -0.003014 -0.000267 0Rh 2dx2y2 -0.002173 0.001276 0.003005 -0.001215 -0.003160 0.000179 0Rh 2dxy -0.000022 -0.000981 -0.000549 -0.001259 -0.001388 0.001029 0Rh 3dz2 -0.005225 0.007806 0.019581 -0.002074 0.021866 0.020142 0Rh 3dxz 0.002776 -0.001863 0.002986 0.019506 0.004992 0.002477 0Rh 3dyz 0.021760 0.026876 -0.005313 -0.007907 0.006456 -0.006901 0Rh 3dx2y2 -0.004789 0.005559 0.009888 0.003352 0.004406 0.007299 0Rh 3dxy 0.018318 0.008288 0.006195 0.011145 -0.003714 0.009670 0Rh 4dz2 -0.013512 0.005851 0.001752 0.037005 0.030851 0.019764 0Rh 4dxz 0.008365 -0.007086 0.009993 0.022774 0.058259 -0.008770 0Rh 4dyz -0.004298 0.019741 -0.030017 0.019268 -0.044061 -0.003782 0Rh 4dx2y2 -0.035087 0.020207 0.050198 -0.019912 -0.053960 0.001916 0Rh 4dxy -0.001222 -0.008246 -0.009111 -0.023120 -0.019370 0.015319 0Rh 5dz2 0.050722 -0.016414 0.041288 -0.163387 -0.126393 -0.030346 0Rh 5dxz -0.063724 0.043567 -0.090320 -0.071100 -0.250256 0.024742 0Rh 5dyz 0.056125 -0.073564 0.120249 -0.090820 0.139931 0.023043 0Rh 5dx2y2 0.164650 -0.085720 -0.214197 0.074644 0.222840 0.011089 0Rh 5dxy 0.075532 -0.020164 0.067285 0.140441 0.017064 -0.029508 0Rh 1f0 0.007908 -0.088860 0.089428 0.060688 -0.024083 -0.124901 0Rh 1f+1 0.020319 0.072073 0.036765 0.008758 -0.015724 0.032532 0Rh 1f-1 -0.132264 -0.090447 -0.073571 0.205005 -0.124032 -0.006210 0Rh 1f+2 -0.009097 -0.052675 0.097848 -0.099442 -0.101473 -0.035299 0Rh 1f-2 0.157011 0.087585 0.038003 0.045776 -0.048370 -0.003153 0Rh 1f+3 -0.090990 0.069942 -0.007844 0.030008 -0.019353 -0.047240 0Rh 1f-3 -0.049147 -0.140518 0.008285 -0.023846 -0.023500 -0.048063 1Rh 1s -0.000458 -0.000002 0.000130 -0.000453 0.000323 0.000003 1Rh 2s 0.000658 0.000839 -0.001157 0.002612 -0.000378 -0.000075 1Rh 3s -0.002293 0.000501 0.000057 -0.001067 0.001665 -0.000029 1Rh 4s -0.003056 -0.004240 0.005772 -0.012921 0.001600 0.000380 1Rh 5s -0.005499 0.010677 -0.010809 0.019181 0.006996 -0.000845 1Rh 6s 0.041284 -0.015835 0.006646 0.006423 -0.042869 0.000840 1Rh 7s 0.179535 -0.175565 -0.002135 -0.080038 0.310698 0.058824 1Rh 8s 0.145661 -0.099694 0.023091 -0.155221 0.044947 -0.002418 1Rh 1pz 0.007922 -0.005194 -0.011306 0.012856 -0.011388 0.001587 1Rh 1px -0.000541 0.000032 -0.012235 0.009254 0.019526 -0.002079 1Rh 1py -0.012819 0.010369 0.008111 0.020038 -0.011295 0.002792 1Rh 2pz -0.027074 0.017701 0.038299 -0.043420 0.039493 -0.005198 1Rh 2px 0.001374 0.000158 0.042162 -0.032087 -0.068093 0.007163 1Rh 2py 0.043596 -0.035334 -0.027603 -0.068542 0.038171 -0.009871 1Rh 3pz 0.005393 -0.001963 0.000226 -0.002600 -0.017711 -0.004706 1Rh 3px 0.010861 -0.006054 -0.014667 0.015435 0.039485 -0.002393 1Rh 3py -0.001924 0.003773 0.002249 0.012757 0.002898 0.009299 1Rh 4pz 0.143516 -0.103583 -0.237399 0.274923 -0.181672 0.056322 1Rh 4px -0.060625 0.028166 -0.204682 0.137618 0.272120 -0.034816 1Rh 4py -0.271792 0.206489 0.163435 0.377092 -0.250114 0.019526 1Rh 5pz -0.227412 0.178476 0.374505 -0.428783 0.310053 -0.115327 1Rh 5px 0.164403 -0.087150 0.331101 -0.220087 -0.456832 0.056190 1Rh 5py 0.476625 -0.346183 -0.267403 -0.607442 0.409166 -0.006405 1Rh 6pz 0.781477 -0.280050 -0.729932 0.956644 -0.672201 0.377274 1Rh 6px -0.675015 0.415845 -0.711216 0.553849 1.399613 -0.051179 1Rh 6py -0.615794 1.097469 0.569705 1.141360 -0.919604 -0.064531 1Rh 1dz2 0.003695 -0.003496 0.008088 0.003309 0.011330 -0.010657 1Rh 1dxz -0.001648 0.001381 0.002152 0.010119 0.008174 -0.000161 1Rh 1dyz -0.007545 -0.012020 -0.005547 -0.000770 -0.002445 0.003204 1Rh 1dx2y2 0.005822 -0.004459 0.009449 -0.000975 -0.003826 -0.002961 1Rh 1dxy -0.007301 -0.002003 0.001237 0.002220 -0.004366 -0.005361 1Rh 2dz2 -0.001002 0.000217 -0.000246 -0.002297 -0.001708 0.001382 1Rh 2dxz 0.000312 -0.000378 -0.000428 -0.001366 -0.003495 -0.000497 1Rh 2dyz -0.000650 0.000759 0.001952 -0.001223 0.002963 -0.000416 1Rh 2dx2y2 -0.002156 0.001304 -0.003066 0.001258 0.003157 0.000070 1Rh 2dxy 0.000000 -0.000976 0.000545 0.001257 0.001498 0.000963 1Rh 3dz2 -0.004943 0.007779 -0.019586 0.001920 -0.021030 0.021040 1Rh 3dxz 0.002616 -0.001763 -0.003400 -0.019472 -0.004987 0.002579 1Rh 3dyz 0.021705 0.026638 0.005355 0.007465 -0.006881 -0.006392 1Rh 3dx2y2 -0.005091 0.005450 -0.010096 -0.003255 -0.004722 0.007309 1Rh 3dxy 0.018386 0.009041 -0.005574 -0.011408 0.004463 0.009363 1Rh 4dz2 -0.015245 0.004480 -0.000860 -0.037317 -0.030052 0.020159 1Rh 4dxz 0.008463 -0.007149 -0.010430 -0.022881 -0.058740 -0.006635 1Rh 4dyz -0.007241 0.016618 0.030701 -0.019713 0.043274 -0.006032 1Rh 4dx2y2 -0.034834 0.020651 -0.051132 0.020552 0.053817 0.000039 1Rh 4dxy -0.000913 -0.008216 0.009362 0.023060 0.020970 0.014427 1Rh 5dz2 0.060415 -0.008319 -0.045523 0.163860 0.125498 -0.031342 1Rh 5dxz -0.064716 0.043326 0.089781 0.071457 0.252443 0.014526 1Rh 5dyz 0.073924 -0.056050 -0.127635 0.092101 -0.136307 0.031480 1Rh 5dx2y2 0.164470 -0.086475 0.217704 -0.077291 -0.222263 0.019084 1Rh 5dxy 0.075490 -0.017822 -0.070979 -0.140723 -0.020822 -0.028512 1Rh 1f0 -0.010018 0.085349 0.091489 0.059752 -0.016831 0.125910 1Rh 1f+1 -0.023272 -0.074672 0.041538 0.008899 -0.016670 -0.032803 1Rh 1f-1 0.128642 0.084908 -0.071213 0.201329 -0.121113 0.013758 1Rh 1f+2 0.009946 0.052000 0.096708 -0.096250 -0.099656 0.037989 1Rh 1f-2 -0.164531 -0.097429 0.041889 0.049152 -0.047830 0.005588 1Rh 1f+3 0.093689 -0.067120 -0.007192 0.027479 -0.017914 0.048277 1Rh 1f-3 0.046358 0.138326 0.009618 -0.024684 -0.023735 0.049074 2C 1s -0.006437 -0.013845 0.001925 -0.000313 -0.000856 -0.001912 2C 2s -0.024921 -0.052293 0.009010 -0.007299 -0.002702 -0.007440 2C 3s 0.432227 0.666139 -0.129879 0.142755 0.186252 0.129716 2C 4s -1.679738 -1.904288 0.309624 -0.272295 -1.160490 -0.475244 2C 5s -0.955941 -2.557568 0.040651 0.086046 -0.248961 -0.114522 2C 1pz 0.113626 0.136217 0.047302 0.072232 0.034987 -0.002028 2C 1px 0.030574 0.143472 -0.086706 0.162917 -0.038929 0.000453 2C 1py -0.064859 0.194000 -0.176381 -0.042273 -0.068130 0.088490 2C 2pz -1.068092 -0.840610 -0.118958 -0.251842 -0.683242 -0.181670 2C 2px -0.060211 -0.590882 0.353247 -0.620281 -0.028442 -0.067979 2C 2py -0.192074 -0.933174 0.567935 0.075719 -0.200326 -0.292377 2C 3pz -0.395109 -0.800187 0.165057 0.003424 -0.119634 -0.156239 2C 3px 0.057920 -0.258910 0.054671 -0.122552 0.119969 -0.013394 2C 3py -0.274445 -0.482127 -0.117053 -0.086513 -0.118490 0.043645 2C 1dz2 0.036430 0.004858 -0.003140 0.009224 0.029597 0.015538 2C 1dxz 0.007481 0.000881 0.011372 0.008610 -0.013626 0.006052 2C 1dyz 0.033136 0.002662 0.008694 0.005519 0.030849 0.000427 2C 1dx2y2 0.008815 -0.031341 0.014712 -0.006603 0.013903 0.005334 2C 1dxy -0.029587 0.015748 -0.020909 -0.003505 -0.029252 -0.004674 2C 2dz2 -0.396864 -0.229863 -0.051162 -0.075825 -0.224430 -0.078157 2C 2dxz -0.062183 -0.163881 0.038129 -0.053829 -0.151332 -0.054367 2C 2dyz -0.388676 -0.511400 0.160076 -0.138462 -0.280545 -0.137734 2C 2dx2y2 0.122875 0.108410 -0.007234 -0.081681 0.065342 0.032081 2C 2dxy -0.043427 -0.130204 0.037235 -0.109643 -0.063606 -0.029121 2C 1f0 0.044066 -0.038850 0.030755 -0.012403 0.048298 0.006178 2C 1f+1 -0.020874 0.001321 -0.009512 -0.038385 -0.016923 -0.004600 2C 1f-1 -0.024969 0.056302 -0.033873 0.033651 -0.049548 0.004659 2C 1f+2 0.002013 0.003412 -0.016490 0.014457 0.006681 0.002906 2C 1f-2 0.000763 0.008338 0.001055 0.025110 -0.039988 0.002865 2C 1f+3 0.048009 -0.033408 0.036406 0.002991 0.027561 0.000481 2C 1f-3 0.006756 -0.030301 0.024805 -0.050285 0.022508 0.006261 3C 1s 0.009875 0.009790 -0.000260 -0.000905 -0.001341 0.003223 3C 2s 0.035539 0.039167 0.001641 -0.004173 -0.007320 0.011165 3C 3s -0.278829 -0.663408 0.097199 0.247307 0.149195 -0.149174 3C 4s 0.205761 2.486301 -0.861949 -1.385520 -0.480170 0.435862 3C 5s 1.786392 2.173255 0.144737 -0.124640 0.301608 0.018078 3C 1pz -0.014276 -0.020044 0.179024 0.027592 0.001935 -0.068538 3C 1px -0.147344 -0.052064 0.005154 0.037168 0.172206 -0.033713 3C 1py 0.140464 0.126666 0.184623 0.034300 0.013106 0.027711 3C 2pz -0.127863 0.649423 -0.880976 -0.528837 -0.040623 0.199116 3C 2px 0.376007 0.519683 -0.164164 -0.374826 -0.601561 -0.009627 3C 2py -0.195310 -1.323900 -0.126597 0.507333 0.099697 -0.202960 3C 3pz 0.290279 0.382499 0.080306 -0.086754 0.098359 0.003308 3C 3px 0.246002 0.211860 0.104392 0.018985 0.097115 -0.012400 3C 3py -0.491691 -0.732399 0.091113 0.131165 0.113981 -0.128941 3C 1dz2 0.006927 -0.005411 -0.012966 -0.000134 -0.003752 0.003083 3C 1dxz -0.030334 0.000558 0.024684 0.021230 0.002393 0.016298 3C 1dyz -0.041649 0.045406 -0.029546 -0.044395 -0.012448 -0.006120 3C 1dx2y2 -0.006241 0.037225 0.012662 -0.003655 -0.014850 0.013829 3C 1dxy 0.009132 0.008625 0.004224 -0.000990 0.017706 -0.003960 3C 2dz2 -0.038389 -0.148188 -0.110665 0.054466 0.039828 0.000576 3C 2dxz -0.027754 0.204703 -0.143174 -0.145121 -0.040904 -0.015973 3C 2dyz -0.032305 -0.553860 0.145433 0.317718 0.114613 -0.111468 3C 2dx2y2 0.010226 -0.414348 0.110060 0.215691 0.000406 -0.113836 3C 2dxy -0.020073 -0.386731 0.146412 0.253491 0.148110 0.025274 3C 1f0 0.030821 0.007305 0.069194 0.035916 -0.003297 0.012175 3C 1f+1 0.041203 -0.000879 0.019533 0.006342 -0.034266 -0.010312 3C 1f-1 -0.013339 0.007174 -0.040586 -0.056363 -0.000474 -0.011492 3C 1f+2 0.065417 -0.011880 0.051244 0.044915 -0.016955 0.003114 3C 1f-2 0.021609 -0.012981 0.028768 0.032966 0.019542 0.006307 3C 1f+3 -0.042823 0.023839 0.034340 0.005972 0.004078 0.001032 3C 1f-3 -0.044259 0.013295 -0.021538 0.001400 0.018482 0.002904 4C 1s 0.006430 0.011200 -0.003067 0.010873 0.000084 0.001181 4C 2s 0.020895 0.038372 -0.011131 0.036792 0.000053 0.004293 4C 3s -0.331919 -1.010168 0.439838 -0.940096 0.306266 -0.175130 4C 4s 1.068953 4.320710 -1.982339 3.750761 -1.485901 0.816700 4C 5s -0.094645 1.303475 -0.987740 2.027873 -1.016080 0.132998 4C 1pz 0.019890 -0.171967 0.053275 -0.214505 0.129589 0.008799 4C 1px -0.047007 0.061494 -0.126054 0.054950 0.187985 0.066316 4C 1py 0.050235 -0.104060 0.110504 -0.001013 0.168848 -0.073505 4C 2pz -0.896643 0.413868 -0.459759 1.117159 -0.750801 -0.193663 4C 2px 0.545385 -0.743610 0.883962 -0.605014 -2.211265 -0.562752 4C 2py -0.562702 0.035615 -0.314402 0.023573 -1.424024 0.318919 4C 3pz -1.130384 -2.700718 -0.201144 0.509041 -0.238060 -0.187890 4C 3px -0.693961 -0.843930 0.116350 -0.149259 -0.766207 -0.186166 4C 3py -0.943419 -1.949375 0.184168 0.363981 -0.524674 -0.251596 4C 1dz2 0.010646 0.009828 0.008384 0.024360 -0.017170 0.009800 4C 1dxz 0.017659 -0.001712 0.023786 0.011282 0.009110 0.003848 4C 1dyz 0.037588 0.007532 -0.003775 0.021611 0.021931 0.002063 4C 1dx2y2 0.001473 -0.003187 0.027445 -0.007284 0.003480 0.003509 4C 1dxy -0.009753 0.019376 -0.018309 -0.004653 -0.014414 0.003634 4C 2dz2 0.059058 0.324099 -0.150966 -0.025806 0.650261 -0.038475 4C 2dxz 0.530126 -0.304768 0.477334 -0.738476 -0.171197 -0.239792 4C 2dyz 0.317402 0.476263 -0.131101 0.155937 0.170315 0.211223 4C 2dx2y2 -0.334965 0.308727 -0.345502 0.667340 -0.651622 -0.180699 4C 2dxy 0.494291 -0.111795 0.141286 0.033301 -0.430816 0.023236 4C 1f0 -0.013125 -0.017471 -0.003108 -0.035733 0.004495 0.010079 4C 1f+1 0.010816 -0.055845 0.026379 -0.055573 0.031355 0.000060 4C 1f-1 -0.011877 -0.080596 0.026702 -0.053407 0.048891 -0.000772 4C 1f+2 0.006135 0.063822 -0.049496 0.045070 -0.004306 0.049993 4C 1f-2 -0.030739 -0.028945 0.006542 -0.040767 -0.024053 0.012571 4C 1f+3 -0.014202 0.020526 0.001244 0.019853 0.018396 -0.035829 4C 1f-3 -0.021674 -0.011270 0.002198 -0.030369 0.044245 0.011758 5C 1s -0.008226 -0.009991 -0.004877 0.002330 0.005321 -0.001524 5C 2s -0.028056 -0.033017 -0.015749 0.008068 0.018407 -0.006209 5C 3s 0.819098 0.614249 0.588853 0.061003 -0.469063 0.259202 5C 4s -3.516523 -2.289782 -2.492199 -0.430569 1.930034 -1.230325 5C 5s -1.259485 -0.396907 -1.567235 -0.415001 0.868672 -0.189084 5C 1pz 0.099106 0.012088 0.016495 0.104699 -0.109883 0.056351 5C 1px 0.247724 -0.184341 0.057449 0.132379 0.159072 0.121837 5C 1py -0.263943 0.001400 -0.300073 -0.143694 0.053941 0.004810 5C 2pz -0.293096 0.264101 -0.455589 -0.608890 0.547309 -0.156027 5C 2px -1.830096 1.807152 -0.351889 -1.163091 -1.207430 -1.141826 5C 2py 1.153785 -0.751337 1.677467 1.226796 -0.308113 -0.272863 5C 3pz 1.162736 1.246328 -0.273808 0.161980 0.140809 0.202870 5C 3px 0.341856 1.484054 -0.002819 -0.401303 -0.331107 0.104067 5C 3py -1.890257 -2.270286 0.196044 0.325465 -0.417942 -0.271769 5C 1dz2 0.010779 0.007657 -0.007804 -0.039452 0.012648 0.006626 5C 1dxz -0.010766 -0.007688 0.021229 0.003675 0.015297 0.008007 5C 1dyz -0.002907 0.033141 -0.009436 -0.000791 -0.022865 -0.003299 5C 1dx2y2 -0.011908 0.023636 0.013965 -0.029516 -0.004667 -0.002230 5C 1dxy -0.012409 0.023345 0.016864 -0.002035 0.012266 0.000148 5C 2dz2 0.279578 0.019768 0.258890 0.167155 -0.071617 0.078675 5C 2dxz 0.267312 -0.114146 0.347604 0.087821 -0.349352 -0.320566 5C 2dyz 0.084573 0.602009 0.086745 -0.212137 -0.351452 0.041001 5C 2dx2y2 -0.531700 0.610733 -0.720874 -0.601988 -0.031618 -0.456460 5C 2dxy 0.249294 -0.031343 -0.313238 -0.102832 0.476074 0.403435 5C 1f0 -0.016086 -0.008588 -0.008991 -0.014079 0.005339 -0.031638 5C 1f+1 0.025625 -0.000710 0.027160 0.029438 -0.003183 0.003753 5C 1f-1 -0.015798 0.018306 0.027261 -0.022094 0.001233 -0.043010 5C 1f+2 -0.054781 -0.037630 -0.039906 -0.002941 0.010179 0.019109 5C 1f-2 -0.036405 -0.043039 -0.042018 -0.012522 0.046762 -0.024108 5C 1f+3 0.081731 0.009440 0.050940 0.014739 -0.024504 0.014793 5C 1f-3 -0.030529 -0.018228 -0.041993 -0.015635 0.010094 -0.017048 6C 1s -0.008570 -0.010480 0.004726 -0.002247 -0.005372 -0.001390 6C 2s -0.029255 -0.034713 0.015281 -0.007828 -0.018625 -0.005697 6C 3s 0.835102 0.646133 -0.586259 -0.064520 0.479347 0.241976 6C 4s -3.567089 -2.410549 2.491826 0.440151 -1.979499 -1.153918 6C 5s -1.274690 -0.432460 1.561528 0.421556 -0.879073 -0.158190 6C 1pz -0.094333 -0.008501 0.020102 0.102990 -0.110493 -0.050651 6C 1px -0.243504 0.188426 0.056366 0.136690 0.148882 -0.127707 6C 1py 0.256880 -0.008008 -0.300273 -0.145328 0.053673 -0.005534 6C 2pz 0.259812 -0.294204 -0.477021 -0.601699 0.535481 0.129598 6C 2px 1.793150 -1.852051 -0.338925 -1.189168 -1.114318 1.188946 6C 2py -1.096914 0.808231 1.688411 1.232357 -0.290612 0.279651 6C 3pz -1.148894 -1.236025 -0.278499 0.171747 0.132156 -0.206750 6C 3px -0.369902 -1.516177 -0.023744 -0.408780 -0.330980 -0.094154 6C 3py 1.880916 2.259195 0.209672 0.308037 -0.403926 0.293650 6C 1dz2 0.011007 0.007629 0.007311 0.039539 -0.012569 0.007554 6C 1dxz -0.010642 -0.008581 -0.020964 -0.003711 -0.014930 0.008481 6C 1dyz -0.001752 0.034746 0.009818 0.000299 0.022472 -0.004328 6C 1dx2y2 -0.010789 0.024623 -0.013665 0.029218 0.004225 -0.001979 6C 1dxy -0.010864 0.024890 -0.015996 0.001378 -0.012080 0.000631 6C 2dz2 0.290159 0.029879 -0.250245 -0.167679 0.082982 0.075063 6C 2dxz 0.255071 -0.115129 -0.367671 -0.084081 0.330176 -0.332534 6C 2dyz 0.096210 0.624048 -0.093603 0.211283 0.342142 0.026248 6C 2dx2y2 -0.523182 0.616559 0.707969 0.605833 0.003649 -0.457905 6C 2dxy 0.257926 -0.022733 0.325840 0.101632 -0.439405 0.421460 6C 1f0 0.016184 0.008201 -0.008133 -0.014245 0.006857 0.031211 6C 1f+1 -0.026207 0.000478 0.026134 0.029832 -0.003438 -0.003552 6C 1f-1 0.015270 -0.018395 0.026368 -0.022012 0.002808 0.042310 6C 1f+2 0.055029 0.038916 -0.040292 -0.003034 0.009510 -0.019314 6C 1f-2 0.037230 0.045071 -0.041744 -0.012511 0.047170 0.022099 6C 1f+3 -0.081091 -0.010097 0.051607 0.014840 -0.025957 -0.013984 6C 1f-3 0.030209 0.018455 -0.042027 -0.015745 0.010611 0.016674 7C 1s 0.006907 0.011648 0.003165 -0.011054 -0.000036 0.001123 7C 2s 0.022601 0.039921 0.011471 -0.037478 0.000089 0.004031 7C 3s -0.352285 -1.035566 -0.442304 0.960746 -0.308359 -0.146581 7C 4s 1.134860 4.411893 1.990638 -3.843283 1.489172 0.676224 7C 5s -0.083438 1.337058 0.987030 -2.042498 1.012068 0.065445 7C 1pz -0.038149 0.162557 0.048617 -0.216349 0.128915 -0.016705 7C 1px 0.047113 -0.060292 -0.136630 0.058090 0.188950 -0.070936 7C 1py -0.059518 0.101068 0.106397 -0.004609 0.174696 0.067180 7C 2pz 1.031610 -0.342086 -0.426650 1.109169 -0.747360 0.238964 7C 2px -0.548089 0.741879 0.982385 -0.620969 -2.224913 0.627848 7C 2py 0.640718 -0.001467 -0.268978 0.030382 -1.459489 -0.266076 7C 3pz 1.129816 2.685873 -0.191119 0.486255 -0.239650 0.208957 7C 3px 0.705220 0.856087 0.148703 -0.168154 -0.766428 0.210681 7C 3py 0.951456 1.951315 0.203668 0.342313 -0.523018 0.279045 7C 1dz2 0.011961 0.011192 -0.008259 -0.024085 0.017568 0.009045 7C 1dxz 0.018508 -0.000319 -0.023319 -0.011280 -0.008897 0.004291 7C 1dyz 0.039592 0.009207 0.004406 -0.021703 -0.021704 0.002709 7C 1dx2y2 0.000736 -0.003162 -0.027248 0.006624 -0.003148 0.003612 7C 1dxy -0.008069 0.019923 0.018005 0.004947 0.014187 0.003353 7C 2dz2 0.073481 0.325277 0.170775 0.024390 -0.659327 -0.018035 7C 2dxz 0.558905 -0.291296 -0.488702 0.741945 0.174756 -0.233999 7C 2dyz 0.351647 0.498138 0.141224 -0.167732 -0.174054 0.211242 7C 2dx2y2 -0.348494 0.308010 0.332270 -0.667115 0.646553 -0.217297 7C 2dxy 0.501164 -0.096267 -0.151348 -0.041887 0.448468 0.004161 7C 1f0 0.012571 0.017617 -0.003051 -0.035553 0.004293 -0.010928 7C 1f+1 -0.010728 0.056233 0.025272 -0.055652 0.030733 -0.002237 7C 1f-1 0.011900 0.081059 0.025965 -0.054906 0.048174 -0.002629 7C 1f+2 -0.005660 -0.064994 -0.050956 0.047251 -0.005725 -0.048938 7C 1f-2 0.030471 0.029153 0.007346 -0.041524 -0.024479 -0.012523 7C 1f+3 0.013805 -0.020205 0.001107 0.018844 0.020792 0.035261 7C 1f-3 0.020323 0.010996 0.001244 -0.030745 0.044418 -0.013841 8C 1s 0.009968 0.009970 0.000264 0.000901 0.001496 0.003166 8C 2s 0.036064 0.040097 -0.001567 0.004121 0.007833 0.010861 8C 3s -0.296407 -0.688411 -0.099672 -0.247500 -0.155766 -0.142868 8C 4s 0.287443 2.593203 0.872531 1.388999 0.498588 0.414971 8C 5s 1.781429 2.163629 -0.120522 0.102491 -0.301431 0.036309 8C 1pz 0.016909 0.021656 0.176610 0.029922 0.005544 0.065983 8C 1px 0.145406 0.052948 -0.002268 0.038302 0.173640 0.028326 8C 1py -0.139040 -0.127651 0.180859 0.035072 0.010944 -0.028308 8C 2pz 0.096894 -0.679549 -0.877541 -0.536781 -0.053120 -0.190082 8C 2px -0.381755 -0.538551 -0.136421 -0.376609 -0.597653 0.029022 8C 2py 0.228775 1.373573 -0.106717 0.504862 0.109119 0.198140 8C 3pz -0.291433 -0.382337 0.076726 -0.081357 0.097996 -0.009220 8C 3px -0.246311 -0.216577 0.105633 0.022248 0.092964 0.008187 8C 3py 0.499301 0.742376 0.097462 0.128517 0.116675 0.125011 8C 1dz2 0.006794 -0.004697 0.012630 -0.000174 0.003543 0.002917 8C 1dxz -0.029564 0.000552 -0.022852 -0.021152 -0.001697 0.016070 8C 1dyz -0.039282 0.047739 0.030175 0.044833 0.012222 -0.006500 8C 1dx2y2 -0.005045 0.038702 -0.011211 0.003424 0.015279 0.013251 8C 1dxy 0.009767 0.009244 -0.004360 -0.000192 -0.018148 -0.003248 8C 2dz2 -0.042081 -0.154908 0.109102 -0.052607 -0.038527 0.000993 8C 2dxz -0.021190 0.212479 0.141037 0.145385 0.039048 -0.018473 8C 2dyz -0.052221 -0.579880 -0.149159 -0.319237 -0.121411 -0.105658 8C 2dx2y2 -0.004483 -0.431914 -0.116648 -0.214263 -0.006062 -0.113454 8C 2dxy -0.030093 -0.402482 -0.143213 -0.252917 -0.143650 0.030785 8C 1f0 -0.030713 -0.007217 0.067481 0.036716 -0.004159 -0.012085 8C 1f+1 -0.040778 0.000788 0.021005 0.006799 -0.033803 0.011296 8C 1f-1 0.012742 -0.007490 -0.039222 -0.057013 -0.000103 0.011127 8C 1f+2 -0.062562 0.014020 0.051756 0.044449 -0.017092 -0.002456 8C 1f-2 -0.020950 0.015377 0.029032 0.033982 0.019192 -0.006808 8C 1f+3 0.040466 -0.024944 0.032105 0.006430 0.004023 -0.000922 8C 1f-3 0.043222 -0.013444 -0.022549 0.001705 0.018688 -0.003101 9C 1s -0.006743 -0.013989 -0.002036 0.000606 0.000860 -0.001869 9C 2s -0.026244 -0.053061 -0.009484 0.008361 0.002718 -0.007205 9C 3s 0.468916 0.688285 0.143347 -0.158471 -0.188459 0.130121 9C 4s -1.846899 -2.001692 -0.372627 0.323934 1.173467 -0.497509 9C 5s -0.946310 -2.550558 -0.052336 -0.082695 0.248799 -0.141746 9C 1pz -0.112828 -0.136608 0.045528 0.075622 0.037879 0.003670 9C 1px -0.028631 -0.137198 -0.081879 0.166453 -0.035024 0.002923 9C 1py 0.061229 -0.196863 -0.180186 -0.035788 -0.071313 -0.085228 9C 2pz 1.136448 0.883860 -0.088466 -0.273418 -0.695423 0.194668 9C 2px 0.065739 0.578100 0.344303 -0.632057 -0.042441 0.061415 9C 2py 0.253315 0.972137 0.598200 0.047434 -0.197243 0.295040 9C 3pz 0.406209 0.803249 0.170852 -0.002312 -0.115831 0.161575 9C 3px -0.046977 0.264114 0.061017 -0.125218 0.120025 0.009603 9C 3py 0.280581 0.491985 -0.113978 -0.093811 -0.123511 -0.039033 9C 1dz2 0.038015 0.005764 0.004329 -0.009328 -0.029320 0.016536 9C 1dxz 0.007000 0.000596 -0.012550 -0.008390 0.013472 0.005739 9C 1dyz 0.036888 0.005307 -0.007305 -0.005816 -0.030854 0.001524 9C 1dx2y2 0.008189 -0.031715 -0.014635 0.006353 -0.013636 0.005816 9C 1dxy -0.027683 0.015793 0.019782 0.004576 0.028263 -0.005629 9C 2dz2 -0.421768 -0.245752 0.040842 0.083718 0.224917 -0.082642 9C 2dxz -0.073386 -0.166466 -0.041313 0.055018 0.154065 -0.058261 9C 2dyz -0.432964 -0.539300 -0.178276 0.151513 0.284439 -0.142826 9C 2dx2y2 0.137254 0.118712 0.012481 0.077331 -0.066587 0.034088 9C 2dxy -0.049263 -0.134966 -0.040215 0.112631 0.068512 -0.029650 9C 1f0 -0.042096 0.039840 0.030109 -0.011877 0.047954 -0.007922 9C 1f+1 0.019933 -0.000118 -0.008039 -0.039557 -0.016293 0.005075 9C 1f-1 0.028098 -0.053909 -0.032473 0.033493 -0.049010 -0.002696 9C 1f+2 -0.005388 -0.003667 -0.016208 0.013328 0.008483 -0.003293 9C 1f-2 0.003612 -0.006360 0.002637 0.025532 -0.040455 -0.001520 9C 1f+3 -0.048414 0.031899 0.035596 0.004551 0.026730 -0.001231 9C 1f-3 -0.009419 0.029964 0.024698 -0.050729 0.022929 -0.007566 10H 1s 0.040881 -0.034896 0.036725 -0.053760 0.038988 -0.002088 10H 2s -0.112126 0.190577 -0.235926 0.356917 -0.141366 -0.010036 10H 3s -0.034608 -0.029962 0.101827 -0.041061 0.077455 -0.044212 10H 1pz -0.038895 -0.064529 -0.007661 0.119764 0.011853 -0.042234 10H 1px -0.015482 -0.025930 0.001808 0.037308 -0.035069 -0.024537 10H 1py -0.130652 0.009238 -0.106093 -0.003285 -0.080723 0.019191 11H 1s 0.045852 0.030012 0.020061 0.089213 -0.032308 0.020810 11H 2s -0.219759 -0.184846 -0.060219 -0.500507 0.084807 -0.007700 11H 3s 0.081043 -0.103650 0.207581 0.041399 0.054188 -0.080303 11H 1pz -0.116873 -0.161166 0.021785 -0.166623 -0.055257 0.027962 11H 1px -0.027810 0.073477 -0.083759 0.040724 -0.051619 0.004644 11H 1py -0.139029 -0.031085 -0.099354 -0.064278 -0.117640 0.026895 12H 1s -0.141670 0.150468 -0.114685 0.034178 -0.147964 -0.022158 12H 2s 0.374922 -0.549434 0.519297 -0.156612 0.361757 -0.059375 12H 3s -0.210152 0.105429 -0.218068 -0.102484 -0.197109 0.021939 12H 1pz -0.084274 -0.176837 0.139103 -0.004143 -0.075748 -0.100206 12H 1px 0.027347 0.016323 0.015830 0.096494 -0.052008 -0.015418 12H 1py -0.034654 -0.112869 0.064431 -0.072848 -0.011346 -0.033321 13H 1s 0.057793 -0.022195 -0.007764 -0.032905 -0.030530 -0.029069 13H 2s -0.242587 0.037410 -0.127602 0.086111 0.278641 0.063018 13H 3s 0.168627 -0.061137 -0.014424 -0.021447 -0.126928 0.057760 13H 1pz 0.005311 0.077887 0.065167 0.013137 0.067136 -0.006481 13H 1px -0.016350 0.079514 0.006696 -0.020732 0.052446 0.010643 13H 1py -0.016498 -0.064739 0.181512 0.056115 -0.087294 -0.056530 14H 1s -0.136892 0.043068 0.043215 0.010168 0.026625 0.039893 14H 2s 0.392268 -0.034014 -0.200264 -0.075802 -0.266185 -0.012324 14H 3s -0.106045 0.048248 0.217866 0.069871 0.084617 0.058191 14H 1pz 0.075974 0.098343 0.039111 -0.037971 -0.105150 0.013683 14H 1px -0.028630 0.029899 -0.064392 -0.019835 0.004121 -0.002745 14H 1py 0.017684 -0.182305 0.182209 0.119809 0.138331 -0.055333 15H 1s -0.141912 0.010253 -0.192417 -0.150466 0.009653 -0.035124 15H 2s 0.436995 0.081291 0.816630 0.355652 -0.096925 0.049476 15H 3s -0.117307 0.053924 -0.310510 -0.190872 -0.163420 0.062369 15H 1pz 0.007093 0.155675 0.039988 -0.121025 -0.025596 -0.026152 15H 1px -0.057472 0.052053 0.055966 -0.008262 0.113025 -0.012864 15H 1py -0.063528 -0.171131 -0.094286 0.085464 0.073107 0.038576 16H 1s 0.037693 -0.046856 -0.022160 0.023985 0.095311 0.009487 16H 2s -0.073448 0.107737 0.043980 -0.132053 -0.204857 -0.057235 16H 3s -0.067519 0.027115 -0.021649 -0.005981 0.101737 0.003136 16H 1pz 0.003367 0.028109 0.028926 -0.010516 -0.119196 0.009930 16H 1px -0.009785 0.009285 0.118942 -0.118705 -0.018944 0.014470 16H 1py -0.081945 0.044703 0.026728 -0.047396 -0.051463 -0.022127 17H 1s 0.056680 -0.023376 -0.035083 0.033118 0.082485 0.011537 17H 2s -0.100825 0.060414 0.114622 -0.071491 -0.207160 0.020706 17H 3s -0.008749 0.013356 0.004744 -0.066982 -0.016217 0.012410 17H 1pz 0.093088 -0.042305 0.065873 0.043304 0.037813 0.033737 17H 1px -0.004487 0.006214 -0.036392 -0.089752 -0.036754 0.059849 17H 1py -0.048676 0.008281 0.061545 -0.079621 -0.138382 0.049920 18H 1s 0.055579 -0.024992 0.036110 -0.034209 -0.083074 0.014443 18H 2s -0.099886 0.062445 -0.119831 0.075025 0.212603 0.015166 18H 3s -0.005886 0.013750 -0.007004 0.063592 0.015917 0.014012 18H 1pz -0.090494 0.045155 0.063658 0.049424 0.037567 -0.034941 18H 1px 0.002569 -0.007040 -0.035735 -0.090026 -0.036366 -0.060352 18H 1py 0.047303 -0.009356 0.063579 -0.077373 -0.143586 -0.046365 19H 1s 0.036565 -0.047262 0.025579 -0.023143 -0.096333 0.012361 19H 2s -0.067445 0.106964 -0.056829 0.130203 0.206193 -0.061496 19H 3s -0.062605 0.031524 0.027005 0.008983 -0.104744 0.005586 19H 1pz -0.002519 -0.026278 0.030255 -0.006567 -0.120375 -0.007692 19H 1px 0.004695 -0.009817 0.120439 -0.114686 -0.022445 -0.016322 19H 1py 0.078018 -0.046710 0.030416 -0.050447 -0.052336 0.023561 20H 1s -0.137625 0.012802 0.190374 0.152858 -0.010261 -0.034556 20H 2s 0.425075 0.077790 -0.808719 -0.361240 0.099270 0.047629 20H 3s -0.107329 0.065992 0.306311 0.197431 0.165760 0.054469 20H 1pz -0.010940 -0.161145 0.037833 -0.119937 -0.024386 0.025176 20H 1px 0.054966 -0.053227 0.050351 -0.006342 0.113367 0.008847 20H 1py 0.067328 0.177733 -0.092644 0.084819 0.072385 -0.039375 21H 1s -0.132586 0.045948 -0.035347 -0.010949 -0.025493 0.040248 21H 2s 0.382450 -0.038010 0.175001 0.079504 0.267153 -0.021078 21H 3s -0.099762 0.056560 -0.210821 -0.070507 -0.079422 0.060171 21H 1pz -0.076292 -0.100900 0.040094 -0.037701 -0.105490 -0.011255 21H 1px 0.027083 -0.031025 -0.064891 -0.020319 0.005189 0.003357 21H 1py -0.010080 0.191165 0.180180 0.121297 0.139055 0.049079 22H 1s 0.056241 -0.020866 0.003135 0.031495 0.028643 -0.028978 22H 2s -0.238420 0.032493 0.141419 -0.084426 -0.275436 0.067398 22H 3s 0.164053 -0.062922 0.006850 0.020452 0.126559 0.054761 22H 1pz -0.007337 -0.079852 0.060930 0.015387 0.067529 0.004091 22H 1px 0.012606 -0.083195 0.002864 -0.019712 0.052114 -0.012172 22H 1py 0.020429 0.068559 0.179977 0.055320 -0.085008 0.057863 23H 1s -0.143444 0.148231 0.110840 -0.033927 0.146841 -0.027701 23H 2s 0.378525 -0.542641 -0.516121 0.163915 -0.363537 -0.044817 23H 3s -0.217454 0.095967 0.212269 0.110442 0.200497 0.019298 23H 1pz 0.095384 0.182261 0.144889 -0.008907 -0.073081 0.102024 23H 1px -0.025215 -0.013827 0.018403 0.098391 -0.049506 0.017373 23H 1py 0.037095 0.113533 0.066363 -0.073970 -0.011347 0.034061 24H 1s 0.036625 0.024288 -0.023696 -0.090580 0.032083 0.019366 24H 2s -0.194007 -0.170953 0.068960 0.505191 -0.076974 -0.000069 24H 3s 0.058768 -0.115452 -0.216303 -0.037250 -0.058315 -0.075394 24H 1pz 0.124325 0.165701 0.024294 -0.168452 -0.059326 -0.027133 24H 1px 0.026352 -0.070274 -0.081193 0.041514 -0.050215 -0.001946 24H 1py 0.148904 0.037519 -0.096456 -0.064824 -0.121406 -0.023446 25H 1s 0.037997 -0.033884 -0.033612 0.052807 -0.036343 -0.000944 25H 2s -0.105958 0.184711 0.226848 -0.357869 0.135233 -0.015783 25H 3s -0.031857 -0.023617 -0.091096 0.043062 -0.076527 -0.038836 25H 1pz 0.048512 0.071587 -0.005928 0.118622 0.013533 0.042110 25H 1px 0.020633 0.031046 0.004999 0.036884 -0.033381 0.025806 25H 1py 0.135923 -0.005053 -0.105102 -0.002196 -0.081398 -0.016907 26O 1s -0.000128 0.003455 -0.000708 -0.001123 -0.003164 0.000092 26O 2s -0.001916 0.008907 -0.002222 -0.005351 -0.003219 0.000730 26O 3s 0.048790 -0.000495 0.009809 0.071542 -0.127051 -0.011638 26O 4s -0.305997 -0.171630 -0.025961 -0.274870 0.765857 0.065117 26O 5s 0.435618 0.365956 0.054453 -0.680433 2.836227 0.160290 26O 1pz -0.005318 0.029559 -0.063595 0.042917 0.036931 0.026252 26O 1px 0.004319 -0.001632 -0.028480 -0.025813 -0.056446 0.021321 26O 1py 0.018352 0.012658 0.037405 0.064750 -0.015567 -0.021764 26O 2pz 0.006708 0.019616 -0.008894 0.079093 -0.085186 -0.021161 26O 2px 0.200149 0.101841 0.059281 0.150106 -0.626389 -0.047657 26O 2py 0.071471 0.052354 -0.045067 0.068837 -0.304985 0.007104 26O 3pz -0.064210 0.088344 -0.060374 0.227334 -0.323922 0.127752 26O 3px -0.153402 0.077422 -0.150380 0.648094 -1.545657 -0.023454 26O 3py -0.356106 0.333290 -0.244046 0.503573 -0.657197 -0.320397 26O 1dz2 0.000384 0.002407 -0.003133 0.000076 0.003187 0.003160 26O 1dxz -0.004550 -0.000571 -0.005355 0.004608 0.000782 -0.002851 26O 1dyz -0.001788 0.001784 -0.000228 0.001957 0.001345 -0.001300 26O 1dx2y2 0.003003 -0.000544 0.001305 -0.003438 -0.005109 -0.002630 26O 1dxy -0.000891 -0.002344 0.000110 -0.000683 -0.002755 0.003357 26O 2dz2 0.101905 0.010355 -0.021722 -0.027233 -0.266931 0.060099 26O 2dxz 0.021260 0.136541 -0.056929 0.053083 0.117675 -0.166900 26O 2dyz 0.053481 -0.000428 0.076603 -0.110269 0.097216 -0.107975 26O 2dx2y2 -0.097647 -0.034521 0.072777 0.019349 0.113936 -0.249309 26O 2dxy 0.040740 -0.128581 0.017789 -0.230956 0.298444 0.315766 26O 1f0 -0.003786 -0.003788 0.001228 -0.002562 0.000283 0.000795 26O 1f+1 -0.002307 -0.004564 0.003479 -0.004216 0.013857 0.001108 26O 1f-1 -0.000407 -0.003195 -0.000589 0.001295 0.006272 -0.001581 26O 1f+2 -0.000527 0.003098 0.002384 0.003581 0.000185 0.000554 26O 1f-2 0.005132 0.003596 0.001046 0.001440 -0.005939 -0.000095 26O 1f+3 -0.000943 -0.001698 -0.002999 -0.001562 0.008250 0.002752 26O 1f-3 -0.003567 -0.008609 -0.000687 -0.006845 0.024326 -0.000764 27O 1s -0.001080 -0.000756 0.000372 -0.001819 -0.002861 -0.003548 27O 2s 0.002594 -0.004517 0.004584 -0.002377 -0.007140 -0.007411 27O 3s -0.144569 0.061139 -0.102624 -0.061109 0.008114 -0.043974 27O 4s 0.701742 -0.213539 0.494213 0.407512 0.103081 0.468529 27O 5s 1.882567 -1.882188 1.203313 1.353179 0.535064 0.835340 27O 1pz 0.001272 -0.027906 -0.042116 0.071808 -0.004365 0.035151 27O 1px -0.011345 0.005953 -0.010530 -0.013610 -0.003770 -0.019540 27O 1py 0.007748 0.013376 -0.025590 0.003627 -0.083064 0.010700 27O 2pz 0.009914 0.015811 0.027517 -0.002921 0.068510 0.010541 27O 2px -0.638637 0.255533 -0.357136 -0.354085 -0.151141 -0.371696 27O 2py 0.172728 -0.081980 0.152128 0.083546 0.001454 0.073782 27O 3pz -0.037492 -0.098095 -0.037873 -0.164346 0.116144 0.251099 27O 3px -1.416088 0.942759 -0.866062 -0.775988 0.037564 -0.524989 27O 3py 0.227316 -0.008312 0.239078 0.115097 -0.080780 0.193141 27O 1dz2 0.000724 -0.002725 -0.002040 0.002493 0.000253 0.001777 27O 1dxz 0.002389 0.002247 -0.001895 0.002415 0.004462 -0.002712 27O 1dyz -0.001257 0.003781 -0.000813 -0.002539 0.001583 -0.000120 27O 1dx2y2 -0.004993 0.005517 -0.003347 -0.003019 -0.005963 -0.005484 27O 1dxy 0.002502 -0.004525 0.001456 -0.000770 -0.005900 -0.003375 27O 2dz2 -0.191789 0.045027 -0.165610 -0.117688 0.016856 0.013178 27O 2dxz 0.076369 -0.029758 0.043509 -0.058812 0.099277 -0.365839 27O 2dyz -0.163597 0.056754 -0.083081 0.039164 0.056623 0.087079 27O 2dx2y2 0.272467 -0.061125 0.091417 0.091752 -0.026122 0.085333 27O 2dxy -0.008980 0.116501 -0.043307 -0.128172 -0.036072 -0.220200 27O 1f0 -0.002128 0.000870 -0.001462 -0.003244 -0.003073 0.000359 27O 1f+1 0.023160 -0.007417 0.012938 0.008707 0.005942 0.011838 27O 1f-1 -0.006315 0.001118 -0.002475 0.001279 -0.005205 -0.003881 27O 1f+2 0.004020 -0.005219 0.004890 0.003248 -0.000385 0.002042 27O 1f-2 0.003354 -0.001700 -0.000264 0.003168 0.000117 0.002459 27O 1f+3 0.018472 -0.006789 0.007532 0.010900 0.001715 0.008572 27O 1f-3 -0.015520 -0.000171 -0.007104 -0.007205 -0.002363 -0.003816 28O 1s -0.004110 0.003422 -0.003014 0.002255 0.001288 0.000101 28O 2s -0.010187 0.005526 -0.005082 0.000569 0.002904 -0.000642 28O 3s -0.001861 0.091601 -0.064992 0.135423 0.004828 0.026983 28O 4s 0.326743 -0.662422 0.473668 -0.792287 -0.045225 -0.132092 28O 5s 0.906717 -0.732181 1.531318 -2.099873 -0.562279 -0.379971 28O 1pz 0.019938 -0.003542 -0.016466 0.003786 -0.003527 0.020062 28O 1px 0.020627 -0.024284 0.019147 -0.007432 -0.009062 -0.004567 28O 1py -0.001231 0.016061 0.031463 0.020472 -0.043778 -0.022286 28O 2pz -0.203150 0.275016 -0.255962 0.369880 0.016467 0.086489 28O 2px 0.177400 -0.396012 0.329205 -0.490710 -0.113823 -0.098322 28O 2py -0.045672 0.008457 -0.010927 0.039536 -0.005416 0.000759 28O 3pz -0.182284 1.018769 -0.512300 1.138002 -0.039234 0.196532 28O 3px 0.526069 -0.458277 0.636170 -0.928969 -0.143448 -0.152189 28O 3py 0.363422 0.202643 -0.260359 0.310238 0.179724 0.011950 28O 1dz2 0.000931 -0.003309 0.002186 -0.001480 0.000770 -0.005439 28O 1dxz 0.005127 -0.001252 0.002941 -0.002944 -0.000774 -0.001103 28O 1dyz 0.002083 -0.001483 0.000207 -0.001705 0.000049 0.002693 28O 1dx2y2 -0.001072 0.003752 -0.003205 0.003281 0.003308 0.000117 28O 1dxy 0.006179 0.001027 0.000206 0.001967 0.004291 -0.002052 28O 2dz2 0.090529 -0.071693 0.221435 -0.116733 0.057125 -0.154986 28O 2dxz -0.085298 0.164974 -0.105664 0.165062 0.069535 0.133061 28O 2dyz -0.102620 -0.009564 0.004451 -0.239054 -0.013892 0.128086 28O 2dx2y2 0.094359 -0.141064 0.111701 -0.034877 0.046799 0.028003 28O 2dxy 0.154605 -0.055371 0.035638 0.140895 0.191077 -0.213084 28O 1f0 0.002233 -0.008423 0.005006 -0.009030 -0.002256 0.004697 28O 1f+1 -0.002977 -0.014539 0.010579 -0.015631 -0.001007 -0.000517 28O 1f-1 -0.005343 0.001739 -0.000828 0.002290 -0.000367 0.000894 28O 1f+2 -0.003377 0.019690 -0.013505 0.017782 0.001248 0.007998 28O 1f-2 -0.002579 -0.007123 0.003526 -0.007711 -0.002193 -0.002102 28O 1f+3 -0.003045 0.006614 -0.006219 0.007844 0.002133 0.003951 28O 1f-3 -0.002486 -0.001810 0.000593 -0.002700 -0.000303 -0.004186 29O 1s -0.000061 0.000003 -0.001081 0.000660 0.002212 0.000181 29O 2s 0.002475 -0.001729 -0.004385 0.003106 0.010515 0.001005 29O 3s -0.069574 0.045822 0.045923 -0.038930 -0.140078 -0.015679 29O 4s 0.352638 -0.227210 -0.157516 0.157960 0.544654 0.063582 29O 5s -0.565730 0.336732 0.183641 -0.187684 -0.711939 -0.083863 29O 1pz -0.017158 -0.003944 0.015121 -0.021905 -0.005233 -0.000323 29O 1px 0.026729 -0.023386 -0.018106 0.050368 0.059299 -0.003921 29O 1py 0.038622 -0.023491 -0.037921 0.027355 0.087622 -0.005765 29O 2pz 0.026448 0.024859 -0.005701 0.012697 -0.064318 0.011163 29O 2px 0.012021 0.011393 -0.007909 -0.024801 0.014928 0.016452 29O 2py -0.080876 0.048044 0.055056 -0.027511 -0.167649 -0.016860 29O 3pz -0.113633 0.079395 0.020072 -0.188429 -0.008332 -0.064998 29O 3px 0.278433 -0.196162 -0.112375 0.234375 0.301737 -0.024627 29O 3py 0.047996 0.042896 -0.066455 -0.066195 0.162055 0.012083 29O 1dz2 -0.000156 -0.000470 0.001507 0.001013 -0.001574 0.000160 29O 1dxz -0.000687 -0.000544 -0.000522 0.001488 -0.000997 0.000598 29O 1dyz 0.000886 -0.001154 -0.000143 -0.000642 -0.001494 0.001100 29O 1dx2y2 -0.000135 -0.000554 -0.000144 -0.001404 0.001996 0.001864 29O 1dxy -0.000675 0.000854 0.000169 -0.000254 0.000824 0.000032 29O 2dz2 0.026290 -0.007362 -0.049602 0.010996 0.001258 0.014834 29O 2dxz -0.012334 -0.017124 0.027520 0.014148 0.066601 -0.031477 29O 2dyz -0.009472 0.000968 0.016642 0.047814 0.060389 -0.014148 29O 2dx2y2 -0.009243 0.021660 -0.019981 0.062761 0.072879 -0.040258 29O 2dxy -0.036361 0.015129 0.050728 -0.038375 -0.050385 -0.002489 29O 1f0 -0.005134 0.004598 0.002984 -0.002363 -0.011948 -0.001527 29O 1f+1 0.002484 -0.001253 0.000275 0.000360 0.003228 0.001009 29O 1f-1 -0.006288 0.006310 0.004525 -0.004647 -0.014817 -0.000723 29O 1f+2 0.001338 -0.001474 -0.001418 0.000955 0.004671 0.001010 29O 1f-2 -0.006798 0.001400 0.001601 -0.003367 -0.006612 -0.002232 29O 1f+3 0.002862 -0.000528 -0.001204 0.001129 0.002210 -0.000431 29O 1f-3 0.003803 -0.001403 -0.001610 0.001584 0.002661 0.001144 30O 1s -0.002837 0.001381 -0.001552 0.000170 0.003968 0.001444 30O 2s -0.007383 0.007186 -0.000774 0.000816 0.006938 0.002640 30O 3s -0.004528 -0.102596 -0.086662 -0.013489 0.072823 0.026264 30O 4s 0.186604 0.415122 0.518724 0.071080 -0.555572 -0.289304 30O 5s 0.128781 0.047921 1.357190 0.202636 -1.677420 -0.198526 30O 1pz 0.000070 -0.022306 -0.003632 0.053560 -0.013237 0.012700 30O 1px 0.018160 -0.010378 0.010785 0.014382 -0.015034 -0.004096 30O 1py -0.011264 0.011973 -0.011406 0.039880 0.012159 0.036439 30O 2pz -0.069620 -0.114942 -0.218162 -0.082685 0.196509 0.089039 30O 2px 0.102542 0.243889 0.255477 0.000724 -0.372816 -0.135736 30O 2py 0.050101 0.120727 0.216753 0.058243 -0.213382 -0.097769 30O 3pz 0.015529 -0.486232 -0.643156 -0.259948 0.757715 0.106043 30O 3px 0.119020 -0.031118 0.570944 0.162542 -0.562166 -0.105544 30O 3py 0.246220 0.473318 0.761584 -0.144113 -0.570716 0.028179 30O 1dz2 0.002637 0.002033 0.000795 0.001382 -0.002444 -0.003565 30O 1dxz 0.000623 -0.000104 0.000374 0.000492 -0.002360 -0.000268 30O 1dyz -0.003071 -0.000001 -0.000753 -0.002116 -0.000092 0.002149 30O 1dx2y2 -0.001056 -0.004903 -0.001348 0.003403 0.007679 0.000801 30O 1dxy 0.003424 0.000131 -0.003008 -0.002970 0.001105 0.004475 30O 2dz2 -0.084564 0.065139 0.150265 -0.016286 0.001431 -0.213007 30O 2dxz 0.034620 -0.149701 -0.132467 -0.041214 0.095026 0.233462 30O 2dyz -0.012521 -0.092311 -0.231079 -0.064736 0.147095 -0.005271 30O 2dx2y2 0.122825 -0.041236 0.035900 0.108808 0.201143 -0.020697 30O 2dxy 0.026650 0.030847 0.034984 -0.021581 -0.068073 0.098535 30O 1f0 -0.000102 0.008636 0.009728 0.003251 -0.009865 -0.002395 30O 1f+1 -0.003396 0.002626 0.002183 -0.000538 -0.000663 0.003442 30O 1f-1 0.004108 0.001715 0.003852 0.004389 -0.001912 -0.003933 30O 1f+2 -0.004021 -0.000217 -0.004566 -0.001582 0.003950 -0.002409 30O 1f-2 -0.009411 -0.013834 -0.011490 -0.000116 0.016399 0.000209 30O 1f+3 0.004489 0.007292 0.001604 -0.001900 -0.006455 0.001354 30O 1f-3 -0.007518 -0.006406 -0.008061 -0.002262 0.007483 0.005122 31O 1s -0.002834 0.001354 0.001634 -0.000190 -0.003847 0.001622 31O 2s -0.007389 0.007171 0.000947 -0.000843 -0.006759 0.002979 31O 3s -0.004202 -0.104134 0.087593 0.013086 -0.069570 0.028722 31O 4s 0.183495 0.422969 -0.530557 -0.068819 0.527680 -0.309545 31O 5s 0.135965 0.077495 -1.377565 -0.188648 1.641994 -0.267017 31O 1pz 0.001197 0.023057 -0.004535 0.053629 -0.013703 -0.011887 31O 1px -0.016320 0.011274 0.012639 0.014842 -0.014211 0.005018 31O 1py 0.010102 -0.014289 -0.012284 0.040198 0.010759 -0.035806 31O 2pz 0.067371 0.116321 -0.223089 -0.081744 0.186984 -0.097102 31O 2px -0.101536 -0.248544 0.262960 -0.001072 -0.358130 0.149799 31O 2py -0.046644 -0.120178 0.221665 0.056618 -0.202231 0.105762 31O 3pz 0.002390 0.512700 -0.628820 -0.252607 0.746059 -0.134547 31O 3px -0.112635 0.030573 0.583073 0.155453 -0.544400 0.128502 31O 3py -0.263130 -0.506798 0.762862 -0.155665 -0.569174 -0.010759 31O 1dz2 0.002714 0.002171 -0.000815 -0.001445 0.002363 -0.003680 31O 1dxz 0.000563 -0.000141 -0.000571 -0.000457 0.002254 -0.000373 31O 1dyz -0.003066 0.000004 0.000819 0.002191 0.000186 0.002115 31O 1dx2y2 -0.000903 -0.004782 0.001511 -0.003368 -0.007463 0.001029 31O 1dxy 0.003494 0.000218 0.003068 0.002875 -0.000808 0.004513 31O 2dz2 -0.076838 0.068777 -0.143011 0.014257 -0.008226 -0.211417 31O 2dxz 0.033117 -0.150975 0.131894 0.040754 -0.083703 0.236643 31O 2dyz -0.017475 -0.099299 0.228243 0.063335 -0.146312 0.000693 31O 2dx2y2 0.118550 -0.047625 -0.038517 -0.111857 -0.202717 -0.014058 31O 2dxy 0.023027 0.032731 -0.041288 0.021296 0.067874 0.094846 31O 1f0 0.000193 -0.008611 0.009781 0.003122 -0.009406 0.002784 31O 1f+1 0.003260 -0.002765 0.002106 -0.000559 -0.000777 -0.003396 31O 1f-1 -0.004024 -0.001804 0.003943 0.004445 -0.001785 0.004054 31O 1f+2 0.003952 0.000222 -0.004569 -0.001609 0.004059 0.002255 31O 1f-2 0.009368 0.014021 -0.011755 -0.000010 0.016073 -0.000853 31O 1f+3 -0.004687 -0.007596 0.001512 -0.001866 -0.006475 -0.001130 31O 1f-3 0.007547 0.006683 -0.008209 -0.002154 0.007208 -0.005420 32O 1s -0.000109 -0.000066 0.001193 -0.000723 -0.002238 0.000249 32O 2s 0.002309 -0.001990 0.004761 -0.003280 -0.010612 0.001351 32O 3s -0.068385 0.048090 -0.048614 0.039381 0.140997 -0.020616 32O 4s 0.348866 -0.234270 0.162961 -0.155988 -0.546272 0.083338 32O 5s -0.559754 0.347490 -0.181596 0.181016 0.706902 -0.111379 32O 1pz 0.017376 0.003000 0.015326 -0.023543 -0.005998 0.000065 32O 1px -0.025959 0.023306 -0.018801 0.049540 0.059465 0.002386 32O 1py -0.038048 0.024395 -0.039461 0.027074 0.088927 0.002930 32O 2pz -0.027154 -0.021995 -0.004067 0.016406 -0.061657 -0.010868 32O 2px -0.012651 -0.009623 -0.008354 -0.023137 0.016914 -0.018178 32O 2py 0.079797 -0.050287 0.057686 -0.027437 -0.170346 0.022660 32O 3pz 0.105440 -0.082461 0.019370 -0.189402 -0.003030 0.065549 32O 3px -0.269566 0.201297 -0.116309 0.231826 0.302096 0.017332 32O 3py -0.045220 -0.038110 -0.069087 -0.067564 0.164509 -0.018358 32O 1dz2 -0.000278 -0.000460 -0.001487 -0.001082 0.001500 0.000026 32O 1dxz -0.000787 -0.000487 0.000660 -0.001444 0.000992 0.000471 32O 1dyz 0.000820 -0.001153 0.000143 0.000563 0.001613 0.001125 32O 1dx2y2 -0.000117 -0.000527 0.000174 0.001406 -0.001969 0.001898 32O 1dxy -0.000754 0.000787 -0.000116 0.000226 -0.000884 0.000103 32O 2dz2 0.024005 -0.007132 0.052530 -0.007839 -0.001586 0.015311 32O 2dxz -0.007694 -0.016429 -0.026761 -0.016449 -0.066170 -0.029975 32O 2dyz -0.009074 0.000696 -0.012296 -0.049432 -0.061909 -0.013621 32O 2dx2y2 -0.010537 0.019430 0.023892 -0.062988 -0.074774 -0.038860 32O 2dxy -0.031718 0.016821 -0.055362 0.038880 0.047795 -0.003936 32O 1f0 0.004735 -0.004321 0.002947 -0.002076 -0.011184 0.001827 32O 1f+1 -0.002802 0.001496 0.000116 0.000570 0.003795 -0.001304 32O 1f-1 0.006454 -0.006533 0.005017 -0.004616 -0.015441 0.001208 32O 1f+2 -0.001701 0.001749 -0.001777 0.001159 0.005363 -0.001255 32O 1f-2 0.006612 -0.001541 0.001526 -0.003486 -0.006489 0.002505 32O 1f+3 -0.002560 0.000548 -0.001123 0.001068 0.002038 0.000385 32O 1f-3 -0.003764 0.001403 -0.001597 0.001653 0.002526 -0.001234 33O 1s -0.004097 0.003364 0.003003 -0.002283 -0.001387 0.000067 33O 2s -0.010022 0.005403 0.004917 -0.000599 -0.003147 -0.000666 33O 3s -0.005466 0.091170 0.068355 -0.136581 -0.004971 0.025264 33O 4s 0.343662 -0.656100 -0.488904 0.797653 0.053911 -0.121332 33O 5s 0.964491 -0.725310 -1.552554 2.124815 0.562525 -0.350593 33O 1pz -0.022874 0.001228 -0.017345 0.004744 -0.004406 -0.019097 33O 1px -0.022392 0.023297 0.018541 -0.007286 -0.009575 0.004006 33O 1py -0.001143 -0.018175 0.031184 0.019929 -0.043492 0.024205 33O 2pz 0.218276 -0.269172 -0.261457 0.372152 0.017660 -0.079637 33O 2px -0.190624 0.390889 0.337437 -0.496474 -0.117702 0.093625 33O 2py 0.050769 -0.007337 -0.011866 0.040673 -0.004686 0.000420 33O 3pz 0.173406 -1.038045 -0.542761 1.157490 -0.028778 -0.176256 33O 3px -0.560102 0.449798 0.652206 -0.941071 -0.143811 0.136395 33O 3py -0.372170 -0.214104 -0.276881 0.321699 0.177257 -0.014198 33O 1dz2 0.001020 -0.003218 -0.002082 0.001434 -0.000965 -0.005435 33O 1dxz 0.005353 -0.001137 -0.003119 0.002955 0.000778 -0.001014 33O 1dyz 0.002357 -0.001301 -0.000160 0.001706 0.000082 0.002685 33O 1dx2y2 -0.001316 0.003528 0.003198 -0.003393 -0.003452 0.000199 33O 1dxy 0.006181 0.000943 -0.000266 -0.001952 -0.004289 -0.001900 33O 2dz2 0.083436 -0.075239 -0.223938 0.116684 -0.062019 -0.151409 33O 2dxz -0.090800 0.165762 0.111257 -0.168576 -0.069363 0.132067 33O 2dyz -0.098727 -0.012257 -0.007548 0.241448 0.014918 0.131713 33O 2dx2y2 0.101164 -0.137964 -0.111294 0.033406 -0.046107 0.033141 33O 2dxy 0.151958 -0.056362 -0.031313 -0.138037 -0.196049 -0.207524 33O 1f0 -0.002417 0.008313 0.005077 -0.009174 -0.002704 -0.004803 33O 1f+1 0.002840 0.014440 0.010729 -0.015826 -0.001146 0.000236 33O 1f-1 0.005680 -0.001624 -0.001093 0.002255 -0.000314 -0.000832 33O 1f+2 0.003893 -0.019589 -0.013871 0.018187 0.001083 -0.007665 33O 1f-2 0.002386 0.007068 0.003530 -0.007924 -0.002182 0.002045 33O 1f+3 0.003568 -0.006418 -0.006432 0.007992 0.002129 -0.003854 33O 1f-3 0.002693 0.002127 0.000806 -0.002850 -0.000141 0.004153 34O 1s -0.001125 -0.000807 -0.000448 0.001708 0.002620 -0.003620 34O 2s 0.002482 -0.004618 -0.004748 0.002021 0.006677 -0.007563 34O 3s -0.144101 0.060941 0.101698 0.063388 -0.012007 -0.044301 34O 4s 0.702915 -0.210311 -0.480075 -0.411380 -0.065768 0.473256 34O 5s 1.849013 -1.902405 -1.208814 -1.373011 -0.478611 0.853746 34O 1pz 0.001090 0.030175 -0.041969 0.071763 -0.005793 -0.034348 34O 1px 0.010855 -0.006594 -0.011386 -0.013145 -0.002848 0.019547 34O 1py -0.010367 -0.017384 -0.024796 0.003661 -0.082558 -0.007006 34O 2pz -0.011216 -0.016318 0.026598 -0.002235 0.066899 -0.013242 34O 2px 0.635654 -0.256087 -0.348730 -0.359814 -0.123171 0.377531 34O 2py -0.170200 0.083390 0.151171 0.085534 -0.004700 -0.074413 34O 3pz 0.028280 0.096443 -0.048077 -0.163367 0.109431 -0.257016 34O 3px 1.397919 -0.948459 -0.868633 -0.786680 0.076359 0.522347 34O 3py -0.219946 0.019426 0.235106 0.119717 -0.088118 -0.189865 34O 1dz2 0.000799 -0.002692 0.002031 -0.002446 -0.000199 0.001772 34O 1dxz 0.002364 0.002201 0.001961 -0.002451 -0.004503 -0.002531 34O 1dyz -0.001150 0.003889 0.000692 0.002514 -0.001627 -0.000036 34O 1dx2y2 -0.004761 0.005784 0.003202 0.003151 0.005526 -0.005699 34O 1dxy 0.002500 -0.004431 -0.001614 0.000836 0.005793 -0.003572 34O 2dz2 -0.191219 0.043459 0.167499 0.119594 -0.020361 0.014696 34O 2dxz 0.074392 -0.027886 -0.046896 0.059190 -0.110327 -0.359191 34O 2dyz -0.165828 0.050064 0.085273 -0.038537 -0.050737 0.088549 34O 2dx2y2 0.265878 -0.065432 -0.093140 -0.090620 0.033515 0.085166 34O 2dxy -0.011016 0.115453 0.040898 0.132005 0.029262 -0.220299 34O 1f0 0.002117 -0.000990 -0.001514 -0.003273 -0.003087 -0.000237 34O 1f+1 -0.022810 0.007547 0.012897 0.008953 0.005109 -0.012090 34O 1f-1 0.006280 -0.001141 -0.002517 0.001172 -0.004939 0.004106 34O 1f+2 -0.003881 0.005399 0.004869 0.003229 -0.000654 -0.002042 34O 1f-2 -0.003296 0.001759 -0.000379 0.003183 -0.000087 -0.002461 34O 1f+3 -0.018282 0.006967 0.007448 0.011023 0.001166 -0.008615 34O 1f-3 0.015742 0.000441 -0.007005 -0.007416 -0.002037 0.003909 35O 1s 0.000058 0.003587 0.000802 0.000956 0.003163 -0.000099 35O 2s -0.001411 0.009190 0.002675 0.004908 0.003157 0.000416 35O 3s 0.046740 0.000136 -0.015572 -0.070979 0.128798 -0.016204 35O 4s -0.304165 -0.181454 0.045193 0.282518 -0.775921 0.096732 35O 5s 0.451549 0.357245 0.040199 0.677709 -2.855039 0.280165 35O 1pz 0.001704 -0.031704 -0.064633 0.043753 0.037043 -0.026919 35O 1px -0.002653 0.003142 -0.027146 -0.024792 -0.057373 -0.018472 35O 1py -0.020694 -0.014490 0.037981 0.065281 -0.014539 0.023483 35O 2pz -0.003056 -0.017786 -0.004491 0.079293 -0.084642 0.025351 35O 2px -0.198388 -0.108350 0.079216 0.153841 -0.633550 0.072709 35O 2py -0.068048 -0.052970 -0.036071 0.070957 -0.310096 0.005058 35O 3pz 0.074687 -0.085179 -0.066059 0.231017 -0.329010 -0.112078 35O 3px 0.161899 -0.085493 -0.103628 0.655827 -1.557460 0.094158 35O 3py 0.360906 -0.329143 -0.221587 0.497663 -0.641991 0.355006 35O 1dz2 0.000460 0.002405 0.003389 -0.000121 -0.003087 0.003272 35O 1dxz -0.004523 -0.000732 0.005293 -0.004589 -0.000954 -0.002927 35O 1dyz -0.001470 0.001968 0.000238 -0.001985 -0.001557 -0.001295 35O 1dx2y2 0.002887 -0.000624 -0.001454 0.003518 0.005143 -0.002754 35O 1dxy -0.000884 -0.002306 -0.000165 0.000616 0.002949 0.003260 35O 2dz2 0.096642 0.005946 0.018279 0.023789 0.270785 0.050104 35O 2dxz 0.021469 0.131566 0.055332 -0.052953 -0.125607 -0.165075 35O 2dyz 0.049002 -0.006151 -0.073682 0.109705 -0.100255 -0.103627 35O 2dx2y2 -0.090805 -0.033599 -0.069315 -0.009944 -0.126411 -0.242527 35O 2dxy 0.039097 -0.127221 -0.003952 0.225099 -0.285702 0.331269 35O 1f0 0.003859 0.003919 0.001208 -0.002523 0.000348 -0.000847 35O 1f+1 0.002040 0.004507 0.003088 -0.004322 0.014087 -0.001705 35O 1f-1 0.000435 0.003338 -0.000750 0.001267 0.006441 0.001351 35O 1f+2 0.000172 -0.003425 0.002393 0.003595 0.000319 -0.000513 35O 1f-2 -0.005171 -0.003764 0.001280 0.001534 -0.006074 0.000303 35O 1f+3 0.000599 0.001561 -0.003292 -0.001610 0.008207 -0.003110 35O 1f-3 0.003499 0.008792 -0.001611 -0.007029 0.024533 -0.000213 372 373 374 375 376 377 1.96458 1.97309 1.98273 1.98431 1.98894 2.00664 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s -0.000142 0.000329 -0.000143 0.000068 -0.000075 -0.000046 0Rh 2s 0.000394 -0.001321 0.000384 -0.000261 0.000258 0.000245 0Rh 3s -0.000595 0.001128 -0.000610 0.000238 -0.000285 -0.000120 0Rh 4s -0.001833 0.006442 -0.001889 0.001264 -0.001282 -0.001256 0Rh 5s -0.000583 -0.005888 0.000915 -0.000899 0.001303 0.002356 0Rh 6s 0.016614 -0.021011 0.007658 -0.005608 0.002242 -0.002774 0Rh 7s -0.160548 0.164894 -0.016982 -0.015913 -0.027454 0.016609 0Rh 8s 0.077294 0.038260 0.003711 -0.036309 0.063385 0.048977 0Rh 1pz -0.017899 -0.001401 0.011591 -0.016328 0.002306 0.000799 0Rh 1px 0.004967 0.000418 0.003463 -0.006032 -0.000659 -0.001461 0Rh 1py 0.011332 -0.016835 -0.003447 0.000797 0.008215 0.006053 0Rh 2pz 0.061598 0.005007 -0.040032 0.057490 -0.007509 -0.002865 0Rh 2px -0.017949 -0.001091 -0.011776 0.021120 0.002472 0.005016 0Rh 2py -0.039056 0.059203 0.011429 -0.003056 -0.028435 -0.020936 0Rh 3pz -0.018312 -0.006127 0.014300 -0.046462 -0.006232 0.002681 0Rh 3px 0.023184 -0.006744 0.000455 -0.014418 -0.004748 -0.001407 0Rh 3py 0.012980 -0.046663 0.005384 0.008146 0.010919 0.007538 0Rh 4pz -0.315325 -0.001929 0.197827 -0.160791 0.068562 0.011370 0Rh 4px 0.022846 0.031953 0.072700 -0.071265 0.001429 -0.025433 0Rh 4py 0.193546 -0.169161 -0.090898 -0.017101 0.141351 0.105736 0Rh 5pz 0.517831 -0.020572 -0.328045 0.177167 -0.101912 -0.030990 0Rh 5px -0.048867 -0.049097 -0.120331 0.096497 0.001294 0.039627 0Rh 5py -0.312844 0.184942 0.140376 0.048630 -0.248694 -0.180701 0Rh 6pz -1.125366 0.284328 0.592412 0.667573 0.213959 0.212448 0Rh 6px 0.414790 0.090166 0.228441 0.163973 0.082095 -0.002133 0Rh 6py 0.607807 0.676477 -0.259260 -0.434457 0.570152 0.307869 0Rh 1dz2 0.006915 0.004169 0.000557 0.011348 -0.005470 0.009155 0Rh 1dxz 0.003777 -0.007450 -0.006084 -0.017892 -0.001647 0.005239 0Rh 1dyz -0.003952 0.006092 -0.001349 -0.004039 0.006139 0.000430 0Rh 1dx2y2 0.016476 0.009520 -0.005414 -0.008544 -0.001109 0.007665 0Rh 1dxy -0.002232 -0.019513 -0.001416 0.002932 -0.004603 -0.002153 0Rh 2dz2 -0.000601 -0.000879 0.002359 -0.003032 -0.000474 -0.006041 0Rh 2dxz 0.001056 0.001493 -0.000072 0.003447 0.000366 -0.000318 0Rh 2dyz 0.004322 -0.001246 0.003679 0.001682 -0.005033 -0.009771 0Rh 2dx2y2 -0.002804 -0.001256 0.000812 0.001444 -0.000329 -0.002672 0Rh 2dxy 0.000040 0.004513 0.001836 -0.000883 -0.001809 -0.004229 0Rh 3dz2 -0.015144 -0.006869 -0.011910 -0.015723 0.016147 0.003295 0Rh 3dxz -0.014538 0.012476 0.015924 0.030597 0.002625 -0.012011 0Rh 3dyz -0.009017 -0.010015 -0.013009 0.002951 0.006732 0.042638 0Rh 3dx2y2 -0.029315 -0.018574 0.010217 0.015445 0.004396 -0.007790 0Rh 3dxy 0.005608 0.029967 -0.004665 -0.003621 0.019875 0.024433 0Rh 4dz2 -0.009343 -0.012700 0.036343 -0.044298 -0.006704 -0.091185 0Rh 4dxz 0.019632 0.022039 -0.001654 0.051925 0.005362 -0.006749 0Rh 4dyz 0.063238 -0.019623 0.057259 0.024221 -0.077210 -0.151067 0Rh 4dx2y2 -0.048092 -0.020950 0.013064 0.022099 -0.005242 -0.041835 0Rh 4dxy -0.002013 0.066969 0.029958 -0.011613 -0.028725 -0.065517 0Rh 5dz2 0.064779 0.044948 -0.157683 0.143174 0.027524 0.348159 0Rh 5dxz -0.116671 -0.055120 0.028865 -0.153414 -0.012379 0.045737 0Rh 5dyz -0.194779 0.079692 -0.243954 -0.076900 0.304286 0.617290 0Rh 5dx2y2 0.195143 0.061694 -0.053128 -0.071378 0.016073 0.170689 0Rh 5dxy 0.048357 -0.207958 -0.140313 0.020172 0.138353 0.273908 0Rh 1f0 0.104707 -0.130055 -0.052895 0.113925 0.087149 -0.107142 0Rh 1f+1 0.024779 0.002878 -0.092133 0.027227 0.081133 0.011546 0Rh 1f-1 0.013639 -0.213023 0.111726 -0.144934 0.022889 0.001694 0Rh 1f+2 0.100457 -0.047236 -0.037585 0.215877 0.000597 0.002426 0Rh 1f-2 -0.015932 -0.134404 -0.056346 -0.007451 0.074495 0.173506 0Rh 1f+3 -0.103645 0.068580 0.078018 -0.083344 0.044939 -0.043586 0Rh 1f-3 -0.010385 0.075396 -0.039688 0.004056 -0.103893 -0.137010 1Rh 1s 0.000139 0.000309 0.000130 0.000050 0.000053 0.000057 1Rh 2s -0.000366 -0.001231 -0.000329 -0.000140 -0.000142 -0.000284 1Rh 3s 0.000594 0.001064 0.000565 0.000206 0.000228 0.000160 1Rh 4s 0.001689 0.005997 0.001617 0.000659 0.000705 0.001444 1Rh 5s 0.000902 -0.005369 -0.000638 0.000135 -0.000480 -0.002509 1Rh 6s -0.017136 -0.020210 -0.006942 -0.005972 -0.001863 0.002117 1Rh 7s 0.164444 0.159602 0.017849 -0.013689 0.022239 -0.016624 1Rh 8s -0.081713 0.038036 -0.002196 -0.039056 -0.063457 -0.045125 1Rh 1pz -0.018278 0.001807 0.010377 0.016942 0.002167 0.000455 1Rh 1px 0.004859 -0.000470 0.003003 0.006640 -0.000626 -0.001355 1Rh 1py 0.011131 0.016894 -0.003567 -0.000722 0.008256 0.006140 1Rh 2pz 0.062920 -0.006406 -0.035748 -0.059596 -0.007020 -0.001669 1Rh 2px -0.017580 0.001285 -0.010166 -0.023225 0.002361 0.004644 1Rh 2py -0.038359 -0.059401 0.011831 0.002767 -0.028575 -0.021240 1Rh 3pz -0.019123 0.006540 0.010593 0.046911 -0.006601 0.002101 1Rh 3px 0.023101 0.006383 -0.000605 0.015285 -0.004782 -0.001173 1Rh 3py 0.012681 0.046653 0.005493 -0.007413 0.010964 0.007766 1Rh 4pz -0.320204 0.009140 0.187065 0.172425 0.066961 0.006029 1Rh 4px 0.020923 -0.031756 0.067094 0.081199 0.002355 -0.023886 1Rh 4py 0.190392 0.170460 -0.093899 0.016233 0.142051 0.106699 1Rh 5pz 0.524721 0.008713 -0.317920 -0.196552 -0.099458 -0.022021 1Rh 5px -0.046117 0.048855 -0.112538 -0.113317 -0.000792 0.036496 1Rh 5py -0.307984 -0.187211 0.145569 -0.048016 -0.249849 -0.181913 1Rh 6pz -1.127522 -0.265102 0.655837 -0.628069 0.220532 0.202779 1Rh 6px 0.416590 -0.095827 0.239363 -0.121169 0.090646 0.003255 1Rh 6py 0.597233 -0.667940 -0.280728 0.440885 0.579526 0.293770 1Rh 1dz2 -0.007026 0.004015 -0.001572 0.011328 0.005361 -0.009260 1Rh 1dxz -0.003549 -0.007131 0.007633 -0.017263 0.001650 -0.005321 1Rh 1dyz 0.003928 0.006185 0.001591 -0.003840 -0.006169 -0.000360 1Rh 1dx2y2 -0.016365 0.009715 0.005943 -0.008568 0.001086 -0.007485 1Rh 1dxy 0.002073 -0.019467 0.001671 0.002905 0.004696 0.002008 1Rh 2dz2 0.000629 -0.000945 -0.002097 -0.003216 0.000532 0.006033 1Rh 2dxz -0.001096 0.001501 -0.000239 0.003397 -0.000371 0.000321 1Rh 2dyz -0.004321 -0.001421 -0.003778 0.001371 0.005050 0.009739 1Rh 2dx2y2 0.002778 -0.001322 -0.000918 0.001465 0.000342 0.002635 1Rh 2dxy 0.000004 0.004438 -0.001863 -0.000965 0.001780 0.004271 1Rh 3dz2 0.015302 -0.006189 0.013357 -0.014846 -0.016121 -0.002991 1Rh 3dxz 0.014134 0.011626 -0.018519 0.029215 -0.002607 0.012209 1Rh 3dyz 0.009071 -0.009472 0.012826 0.003830 -0.006728 -0.042676 1Rh 3dx2y2 0.029149 -0.018773 -0.011102 0.015400 -0.004391 0.007493 1Rh 3dxy -0.005395 0.030182 0.004135 -0.003181 -0.019990 -0.024240 1Rh 4dz2 0.009765 -0.013615 -0.032503 -0.047230 0.007469 0.091125 1Rh 4dxz -0.020301 0.022140 -0.002976 0.051124 -0.005414 0.006768 1Rh 4dyz -0.063189 -0.022305 -0.058704 0.019366 0.077385 0.150637 1Rh 4dx2y2 0.047691 -0.022041 -0.014656 0.022559 0.005395 0.041306 1Rh 4dxy 0.002635 0.065841 -0.030523 -0.012901 0.028306 0.066114 1Rh 5dz2 -0.065712 0.048062 0.145473 0.156247 -0.028918 -0.348428 1Rh 5dxz 0.119482 -0.055669 -0.015459 -0.151961 0.012206 -0.045003 1Rh 5dyz 0.194781 0.090124 0.248717 -0.056116 -0.303028 -0.616995 1Rh 5dx2y2 -0.194138 0.066215 0.058219 -0.073537 -0.016494 -0.169721 1Rh 5dxy -0.050393 -0.204015 0.143923 0.025830 -0.136420 -0.276602 1Rh 1f0 0.106052 0.130081 -0.044942 -0.115926 0.088665 -0.106445 1Rh 1f+1 0.023441 -0.004068 -0.088882 -0.034556 0.080150 0.009807 1Rh 1f-1 0.010160 0.217568 0.096687 0.154906 0.022839 0.000930 1Rh 1f+2 0.103853 0.046587 -0.022434 -0.217970 0.000614 0.003120 1Rh 1f-2 -0.018320 0.133192 -0.058923 0.003888 0.073358 0.174481 1Rh 1f+3 -0.104408 -0.066213 0.071376 0.087786 0.043565 -0.045262 1Rh 1f-3 -0.012163 -0.075094 -0.037315 -0.008998 -0.101937 -0.139756 2C 1s -0.000524 0.000968 0.000025 -0.000613 -0.001746 -0.000781 2C 2s -0.001286 0.004435 0.000231 -0.001586 -0.007124 -0.001411 2C 3s 0.149716 -0.071921 0.005348 -0.005108 0.093552 -0.089091 2C 4s -0.919973 0.250816 0.003357 0.100676 -0.185183 0.595271 2C 5s -0.116478 0.389745 0.832282 0.030367 0.525997 1.113630 2C 1pz -0.069244 -0.105214 -0.035252 0.019883 0.045795 -0.037573 2C 1px 0.042097 0.016917 0.060380 0.024908 -0.048565 -0.082698 2C 1py 0.132584 0.089758 -0.013906 -0.037120 0.048536 0.025120 2C 2pz -0.207617 0.349920 0.145532 -0.068441 -0.155971 0.505390 2C 2px -0.143199 0.198016 -0.173761 0.130181 0.048712 0.214180 2C 2py -0.675228 -0.160286 0.130307 0.268515 -0.006861 0.096839 2C 3pz -0.203915 -0.013906 0.124646 0.052767 0.053133 0.242409 2C 3px 0.096666 0.057825 0.037642 -0.018859 -0.085804 -0.017914 2C 3py 0.057425 0.190580 0.119781 -0.085235 0.075055 0.221350 2C 1dz2 0.012138 0.006661 0.017111 0.018716 0.014130 -0.023969 2C 1dxz -0.027280 -0.024746 0.013732 -0.017324 0.018254 -0.000123 2C 1dyz 0.019330 -0.002153 0.002274 -0.002422 -0.013034 -0.013574 2C 1dx2y2 -0.019313 -0.007984 0.005894 0.014512 0.024081 -0.016841 2C 1dxy 0.010895 -0.000902 -0.010410 -0.031840 -0.013353 0.028068 2C 2dz2 -0.087047 0.046079 0.005379 -0.122491 -0.089846 0.194932 2C 2dxz -0.075291 0.192731 -0.054419 0.152061 0.006636 0.151308 2C 2dyz -0.286495 0.032766 0.032639 0.078123 -0.029577 0.125223 2C 2dx2y2 0.130201 0.039023 -0.018641 -0.060275 -0.062115 -0.020924 2C 2dxy -0.071904 0.118830 -0.019593 0.122671 0.021055 0.031608 2C 1f0 -0.046679 -0.024870 0.017286 0.024997 0.024008 -0.037107 2C 1f+1 0.018098 0.023289 -0.012142 -0.006558 -0.021832 0.014659 2C 1f-1 -0.011913 0.002961 0.005509 -0.004580 0.007893 0.028219 2C 1f+2 0.006216 0.003864 0.020110 -0.002383 0.003145 -0.002454 2C 1f-2 -0.048581 -0.005302 0.006909 0.011569 0.021123 -0.002604 2C 1f+3 -0.012782 -0.007195 0.026355 0.016193 0.008940 -0.022699 2C 1f-3 0.025364 0.010028 -0.014987 0.003137 -0.001264 -0.001299 3C 1s 0.000140 -0.000743 -0.001834 -0.000169 0.000207 -0.000893 3C 2s 0.002629 -0.003282 -0.007934 0.000188 -0.000772 -0.002218 3C 3s 0.011701 0.088011 0.128807 -0.049255 0.076055 0.088848 3C 4s -0.356907 -0.405983 -0.326862 0.296967 -0.433437 -0.452857 3C 5s -0.367887 -0.044311 0.625302 0.082487 -1.264236 -0.117379 3C 1pz 0.035966 0.101424 0.125160 0.020369 0.028807 -0.051695 3C 1px -0.157231 0.019861 0.028946 0.101947 0.082486 0.045287 3C 1py -0.030610 0.040008 -0.006429 0.061836 -0.007310 -0.062279 3C 2pz -0.243435 -0.323211 -0.242646 -0.060542 -0.283348 0.074616 3C 2px 0.344270 -0.315524 -0.100723 -0.045224 -0.296275 -0.054595 3C 2py 0.333391 0.022945 0.095908 -0.334529 0.283562 0.356691 3C 3pz -0.132869 0.075583 0.183913 0.066589 -0.146247 -0.109361 3C 3px 0.012774 0.075953 -0.003849 0.077630 -0.035205 0.012940 3C 3py 0.010505 0.158521 0.028544 0.018673 0.299357 0.031511 3C 1dz2 0.012353 -0.014801 -0.016173 0.003235 0.001602 0.005669 3C 1dxz -0.047336 0.023410 -0.003990 0.010028 0.007592 -0.036651 3C 1dyz -0.016603 0.004915 0.016150 -0.002358 -0.012276 -0.003823 3C 1dx2y2 -0.018510 0.010421 -0.005659 0.007429 0.009230 -0.027739 3C 1dxy 0.003812 -0.023011 -0.004401 0.024372 0.010636 -0.000189 3C 2dz2 0.007133 0.022364 0.018828 -0.118939 0.020042 0.087794 3C 2dxz 0.012863 -0.149190 0.000254 0.042588 -0.090567 -0.000520 3C 2dyz 0.080644 0.062462 0.104398 -0.006455 0.112469 0.024972 3C 2dx2y2 0.134782 -0.044403 0.035308 -0.060074 0.057694 0.170783 3C 2dxy 0.042746 0.221168 0.027908 -0.166947 0.095531 0.069144 3C 1f0 0.000655 0.012088 -0.009127 0.014966 0.028957 -0.025544 3C 1f+1 0.049877 -0.002509 -0.000655 -0.007806 0.001884 0.013151 3C 1f-1 0.016243 -0.012360 0.004540 -0.010986 -0.014152 0.013757 3C 1f+2 0.028195 0.000673 -0.016365 -0.005008 0.000624 0.021713 3C 1f-2 -0.005796 0.007394 0.002673 -0.002891 -0.002708 -0.004513 3C 1f+3 -0.051086 0.013330 0.006605 0.033660 0.005635 -0.034926 3C 1f-3 -0.066197 0.002505 0.013617 0.020550 0.008799 -0.020874 4C 1s -0.001928 -0.000999 0.003889 -0.000854 0.001832 -0.001378 4C 2s -0.005894 -0.003039 0.011192 -0.002602 0.007470 -0.005085 4C 3s 0.167626 0.056270 -0.287665 -0.026886 -0.354264 -0.152311 4C 4s -0.573559 -0.279087 1.339573 0.233366 1.650356 1.099180 4C 5s -0.425666 -0.133626 0.056163 0.080033 0.536177 0.049290 4C 1pz 0.096133 0.094818 -0.052370 0.039074 -0.000166 0.007873 4C 1px 0.146952 -0.217028 0.086207 -0.198885 -0.034653 -0.196462 4C 1py 0.058040 -0.111387 -0.033320 -0.045164 -0.129279 -0.078651 4C 2pz -0.864560 -0.712581 0.413725 -0.408717 0.088793 0.710526 4C 2px -0.859885 2.367864 -0.249097 1.904145 -0.191366 0.645287 4C 2py -0.489129 0.769336 0.304386 0.535014 0.730587 0.605628 4C 3pz -0.238618 0.316986 0.618330 -0.103268 0.360147 0.861833 4C 3px -0.421897 0.397597 0.178856 0.180115 -0.086335 0.113114 4C 3py -0.157990 0.235629 0.296850 0.035666 0.208786 0.549650 4C 1dz2 0.039337 0.002309 0.001819 -0.007725 0.001279 -0.015209 4C 1dxz -0.009694 -0.002539 -0.005781 0.018950 0.023820 0.018948 4C 1dyz -0.016744 -0.007138 0.022179 0.001294 -0.004121 -0.013910 4C 1dx2y2 0.004283 -0.007210 -0.013796 0.014003 0.022006 -0.005787 4C 1dxy 0.013007 0.020731 -0.017303 -0.010502 -0.000037 0.041618 4C 2dz2 0.336065 -0.533162 -0.050314 -0.675482 -0.398464 -0.150465 4C 2dxz 0.079843 0.955211 -0.333533 0.731614 -0.331585 0.033290 4C 2dyz 0.180036 -0.090559 -0.006445 0.013120 0.215214 -0.180168 4C 2dx2y2 -0.322755 0.142914 0.062102 0.044416 0.016816 0.448728 4C 2dxy -0.188040 0.710369 0.017143 0.659449 0.202812 0.149907 4C 1f0 0.017006 0.016153 0.007203 0.027255 0.018840 -0.019608 4C 1f+1 0.003784 0.010655 -0.003118 -0.020040 -0.012188 -0.006348 4C 1f-1 0.014609 0.002862 -0.005084 -0.015390 -0.013447 -0.001809 4C 1f+2 -0.007590 -0.014450 0.020711 -0.013771 0.076749 0.013823 4C 1f-2 0.002586 0.009935 0.000679 0.014220 0.018535 -0.003530 4C 1f+3 -0.012658 -0.043629 -0.018168 -0.007727 -0.030287 0.028048 4C 1f-3 0.021717 -0.027935 -0.011769 -0.017730 0.009172 0.006288 5C 1s -0.008485 0.000839 0.002089 0.000665 0.000088 0.000179 5C 2s -0.027635 0.003259 0.009052 0.002444 0.002008 0.000425 5C 3s 0.660611 -0.083346 -0.467206 -0.052913 0.159242 0.039888 5C 4s -2.584544 0.360729 2.187044 0.173534 -1.096239 -0.126291 5C 5s -1.138714 -0.055887 0.754748 0.103907 0.194020 -0.089369 5C 1pz 0.044347 -0.120539 -0.116210 0.038911 0.011824 -0.054960 5C 1px 0.165403 0.161606 -0.124527 -0.277522 0.095881 0.202941 5C 1py -0.142171 -0.020650 0.001280 -0.018886 -0.027596 0.003280 5C 2pz -0.017290 0.744822 0.723192 -0.571365 -0.425290 0.060715 5C 2px -2.049040 -1.749907 0.543298 2.660998 -0.347988 -0.549520 5C 2py 0.763152 0.076737 0.016351 0.127356 0.657355 0.385658 5C 3pz -0.157271 -0.107179 0.259207 -0.095139 -0.471514 -0.070036 5C 3px -0.717763 -0.264104 0.114083 0.464372 -0.286830 -0.059436 5C 3py 0.369538 0.071705 -0.427716 -0.043164 0.922087 0.284050 5C 1dz2 0.021508 -0.010292 -0.025026 -0.010381 -0.011202 0.014704 5C 1dxz -0.027750 0.007919 -0.002511 0.020470 -0.006187 -0.041791 5C 1dyz 0.009117 -0.009242 0.011651 0.002714 0.001184 -0.005753 5C 1dx2y2 0.013843 -0.008316 -0.002082 0.014951 -0.007383 -0.029666 5C 1dxy -0.021909 0.013075 -0.009237 0.011670 0.024590 0.017849 5C 2dz2 0.362763 0.263318 -0.037770 -0.420040 0.048149 0.263326 5C 2dxz 0.336469 -0.306513 -0.018035 0.272415 0.107842 0.232432 5C 2dyz -0.106849 -0.486282 -0.300629 0.505541 -0.043952 -0.180723 5C 2dx2y2 -0.679227 -0.544392 0.530141 0.569144 -0.325966 -0.041576 5C 2dxy 0.240071 0.759602 0.006417 -0.879055 -0.071507 0.100617 5C 1f0 -0.017986 0.006261 0.021303 0.029808 0.008355 0.026991 5C 1f+1 0.028246 0.003774 0.004337 -0.024301 -0.001628 -0.006657 5C 1f-1 -0.008380 0.014856 0.065458 0.001613 -0.009989 0.018717 5C 1f+2 -0.025534 -0.000167 -0.002615 -0.020719 -0.003359 -0.026860 5C 1f-2 0.003501 0.040004 0.058303 -0.018507 -0.017157 -0.005964 5C 1f+3 0.064334 0.039017 -0.015367 -0.015951 -0.004635 -0.005305 5C 1f-3 -0.032617 0.008524 0.031163 0.000297 -0.009705 -0.007772 6C 1s 0.008347 0.000914 -0.002139 0.000602 -0.000051 -0.000202 6C 2s 0.027192 0.003477 -0.009223 0.002054 -0.001890 -0.000439 6C 3s -0.657597 -0.082354 0.470298 -0.025923 -0.156594 -0.045996 6C 4s 2.582750 0.350120 -2.196269 0.040729 1.076260 0.161808 6C 5s 1.141001 -0.061414 -0.759130 0.061231 -0.199616 0.082855 6C 1pz 0.046326 0.121350 -0.114998 -0.046185 0.011346 -0.051675 6C 1px 0.163508 -0.167306 -0.143684 0.271882 0.096415 0.202052 6C 1py -0.142023 0.019245 -0.000687 0.015814 -0.029232 0.004156 6C 2pz -0.032165 -0.744318 0.691631 0.619750 -0.423669 0.042417 6C 2px -2.025962 1.778297 0.732746 -2.658831 -0.349180 -0.537530 6C 2py 0.770786 -0.073443 0.023752 -0.099591 0.662483 0.387879 6C 3pz -0.157457 0.114640 0.251895 0.114384 -0.471573 -0.074398 6C 3px -0.711100 0.275086 0.148019 -0.471652 -0.290060 -0.052461 6C 3py 0.369385 -0.079837 -0.433493 0.020782 0.920625 0.294917 6C 1dz2 -0.021084 -0.009285 0.025711 -0.008214 0.011221 -0.014612 6C 1dxz 0.027086 0.007595 0.001074 0.020952 0.005863 0.041277 6C 1dyz -0.008943 -0.009595 -0.011757 0.001712 -0.000874 0.005772 6C 1dx2y2 -0.013869 -0.008399 0.001178 0.015386 0.007523 0.029891 6C 1dxy 0.021629 0.013518 0.008087 0.012585 -0.024602 -0.017677 6C 2dz2 -0.365254 0.264252 0.067500 -0.426626 -0.044083 -0.269517 6C 2dxz -0.337152 -0.305572 -0.002886 0.268059 -0.109080 -0.229688 6C 2dyz 0.105749 -0.485304 0.265213 0.536029 0.045737 0.176426 6C 2dx2y2 0.676015 -0.551759 -0.570710 0.543981 0.327453 0.042496 6C 2dxy -0.232092 0.766979 0.050239 -0.881944 0.076502 -0.097673 6C 1f0 -0.017934 -0.006416 0.023924 -0.028482 0.008397 0.026620 6C 1f+1 0.028158 -0.003385 0.002013 0.025238 -0.001680 -0.006157 6C 1f-1 -0.008429 -0.014155 0.065830 0.003210 -0.009871 0.017983 6C 1f+2 -0.025385 0.000149 -0.004679 0.020079 -0.003658 -0.026681 6C 1f-2 0.002816 -0.039826 0.057508 0.023099 -0.016776 -0.006999 6C 1f+3 0.063957 -0.039074 -0.015609 0.015551 -0.004710 -0.005780 6C 1f-3 -0.032782 -0.008021 0.031271 0.001391 -0.009412 -0.008056 7C 1s 0.001923 -0.001129 -0.003827 -0.001341 -0.001845 0.001468 7C 2s 0.005902 -0.003494 -0.011007 -0.004107 -0.007429 0.005403 7C 3s -0.170480 0.070268 0.288893 0.007250 0.343862 0.151272 7C 4s 0.587989 -0.342115 -1.352049 0.084808 -1.591739 -1.103248 7C 5s 0.434556 -0.150599 -0.068919 0.061676 -0.529476 -0.048835 7C 1pz 0.098247 -0.095489 -0.045766 -0.044444 0.000722 0.005147 7C 1px 0.146175 0.219072 0.065129 0.207192 -0.036431 -0.194816 7C 1py 0.060423 0.109911 -0.039304 0.041162 -0.128883 -0.077064 7C 2pz -0.876919 0.709218 0.357438 0.443906 0.084887 0.729119 7C 2px -0.850402 -2.359607 -0.044820 -1.954256 -0.165720 0.626674 7C 2py -0.501804 -0.758099 0.362125 -0.513742 0.737583 0.600453 7C 3pz -0.239903 -0.296448 0.602199 0.152308 0.363152 0.861063 7C 3px -0.429807 -0.388636 0.201972 -0.178103 -0.073115 0.103620 7C 3py -0.162708 -0.222483 0.298260 -0.014895 0.217033 0.552261 7C 1dz2 -0.039418 0.001769 -0.001149 -0.008236 -0.001657 0.015321 7C 1dxz 0.009518 -0.002244 0.004148 0.019221 -0.024092 -0.019136 7C 1dyz 0.016578 -0.007724 -0.022229 -0.000117 0.003829 0.013925 7C 1dx2y2 -0.003904 -0.007034 0.012785 0.014873 -0.022003 0.005738 7C 1dxy -0.013109 0.020869 0.017675 -0.009589 0.000278 -0.041116 7C 2dz2 -0.329264 -0.528257 0.112943 -0.674531 0.408394 0.148137 7C 2dxz -0.096620 0.960139 0.256118 0.765818 0.331293 -0.029788 7C 2dyz -0.180362 -0.098763 0.006795 0.007816 -0.205509 0.183418 7C 2dx2y2 0.323375 0.136136 -0.068254 0.034913 -0.011716 -0.451235 7C 2dxy 0.181946 0.709700 -0.081516 0.663828 -0.202421 -0.151735 7C 1f0 0.017024 -0.015515 0.009787 -0.026623 0.019306 -0.020500 7C 1f+1 0.003207 -0.010984 -0.004496 0.019388 -0.011483 -0.006685 7C 1f-1 0.014939 -0.003803 -0.006078 0.014362 -0.012248 -0.002119 7C 1f+2 -0.008148 0.015296 0.019349 0.016495 0.075834 0.013549 7C 1f-2 0.002626 -0.009705 0.002220 -0.014794 0.019094 -0.004270 7C 1f+3 -0.012361 0.042959 -0.019573 0.006410 -0.030439 0.028572 7C 1f-3 0.021798 0.027318 -0.013712 0.017341 0.008718 0.006158 8C 1s -0.000135 -0.000768 0.001829 -0.000052 -0.000241 0.000834 8C 2s -0.002600 -0.003358 0.007852 0.000718 0.000681 0.002032 8C 3s -0.012795 0.088720 -0.123600 -0.061786 -0.077254 -0.086097 8C 4s 0.362130 -0.407875 0.298692 0.343736 0.444169 0.443244 8C 5s 0.365521 -0.054693 -0.632001 0.046354 1.265931 0.137587 8C 1pz 0.032278 -0.099978 0.127689 -0.011455 0.030259 -0.056756 8C 1px -0.154205 -0.020937 0.036274 -0.098874 0.081844 0.048469 8C 1py -0.031281 -0.038921 0.000029 -0.063030 -0.006106 -0.062974 8C 2pz -0.233456 0.320734 -0.248252 0.037491 -0.291961 0.089551 8C 2px 0.336100 0.316955 -0.104291 0.029973 -0.295588 -0.063090 8C 2py 0.338743 -0.026083 0.063766 0.356604 0.285939 0.356875 8C 3pz -0.134806 -0.075660 0.190640 -0.058041 -0.145945 -0.114026 8C 3px 0.015886 -0.076267 0.003368 -0.075807 -0.035392 0.009928 8C 3py 0.010561 -0.160643 0.030825 -0.014030 0.302501 0.030557 8C 1dz2 -0.011624 -0.014317 0.016015 0.004506 -0.001664 -0.005415 8C 1dxz 0.046508 0.022784 0.003352 0.010738 -0.007581 0.036032 8C 1dyz 0.016360 0.004753 -0.016174 -0.003002 0.012959 0.003822 8C 1dx2y2 0.018567 0.009913 0.005057 0.008345 -0.008997 0.027729 8C 1dxy -0.003722 -0.022607 0.002977 0.024754 -0.010883 0.000216 8C 2dz2 -0.010049 0.022241 -0.009513 -0.123371 -0.018437 -0.090352 8C 2dxz -0.011899 -0.149093 -0.003467 0.044431 0.091460 0.000518 8C 2dyz -0.080502 0.061858 -0.102012 -0.019691 -0.117185 -0.019858 8C 2dx2y2 -0.135726 -0.043404 -0.029034 -0.067574 -0.058918 -0.170338 8C 2dxy -0.044690 0.221696 -0.015322 -0.174428 -0.096160 -0.071459 8C 1f0 0.000970 -0.011552 -0.008097 -0.015463 0.029300 -0.025490 8C 1f+1 0.049002 0.002609 -0.001087 0.008343 0.001986 0.012613 8C 1f-1 0.016196 0.011896 0.003996 0.011219 -0.014662 0.013695 8C 1f+2 0.028309 -0.000455 -0.016690 0.004667 0.001041 0.021527 8C 1f-2 -0.004961 -0.007488 0.002281 0.003523 -0.002464 -0.003803 8C 1f+3 -0.049871 -0.012520 0.008853 -0.033553 0.005630 -0.034045 8C 1f-3 -0.065397 -0.002323 0.015160 -0.020207 0.008378 -0.019857 9C 1s 0.000511 0.000951 -0.000013 -0.000505 0.001620 0.000843 9C 2s 0.001257 0.004441 -0.000237 -0.001191 0.006679 0.001624 9C 3s -0.150679 -0.074972 -0.004000 -0.011966 -0.084711 0.088485 9C 4s 0.927307 0.265981 -0.011584 0.120830 0.150427 -0.600202 9C 5s 0.117416 0.364360 -0.822554 -0.040306 -0.517091 -1.119472 9C 1pz -0.069389 0.103816 -0.036732 -0.021619 0.042416 -0.034994 9C 1px 0.039058 -0.012985 0.063629 -0.019771 -0.045456 -0.084545 9C 1py 0.130812 -0.087539 -0.014189 0.039434 0.045567 0.023361 9C 2pz -0.212760 -0.352951 0.146961 0.073064 -0.137857 0.502628 9C 2px -0.129903 -0.210618 -0.164645 -0.147039 0.040993 0.220158 9C 2py -0.672897 0.152040 0.143865 -0.271694 0.008513 0.103819 9C 3pz -0.204859 0.017069 0.124369 -0.045564 0.057569 0.245097 9C 3px 0.094013 -0.055315 0.034546 0.016643 -0.084826 -0.019571 9C 3py 0.056492 -0.189007 0.114050 0.096945 0.074256 0.220998 9C 1dz2 -0.012741 0.006204 -0.018443 0.017114 -0.014092 0.024009 9C 1dxz 0.028671 -0.025319 -0.012287 -0.017938 -0.019021 0.000744 9C 1dyz -0.019686 -0.002399 -0.002424 -0.002509 0.012988 0.013695 9C 1dx2y2 0.019558 -0.008139 -0.006831 0.014587 -0.024375 0.016957 9C 1dxy -0.010092 -0.001211 0.012430 -0.030743 0.013290 -0.027146 9C 2dz2 0.088761 0.048415 0.003061 -0.121323 0.086041 -0.192431 9C 2dxz 0.069905 0.195297 0.040299 0.156950 -0.005938 -0.153790 9C 2dyz 0.288266 0.037643 -0.037531 0.081723 0.019731 -0.128540 9C 2dx2y2 -0.131831 0.037184 0.022222 -0.060828 0.066303 0.022866 9C 2dxy 0.069254 0.122299 0.008821 0.125480 -0.020806 -0.033598 9C 1f0 -0.046444 0.024774 0.018323 -0.024371 0.024079 -0.036579 9C 1f+1 0.017525 -0.023117 -0.012361 0.004720 -0.022212 0.013958 9C 1f-1 -0.012231 -0.002954 0.005343 0.005692 0.007884 0.028144 9C 1f+2 0.007317 -0.003261 0.020572 0.004162 0.003158 -0.003789 9C 1f-2 -0.048780 0.005296 0.007941 -0.011201 0.022056 -0.002430 9C 1f+3 -0.013784 0.007979 0.027775 -0.014471 0.009345 -0.022717 9C 1f-3 0.026273 -0.010380 -0.013900 -0.004810 -0.002083 -0.001927 10H 1s -0.004678 0.020814 -0.032830 0.057848 -0.005320 -0.064701 10H 2s 0.060528 0.054291 0.140189 -0.026454 -0.015604 0.103622 10H 3s -0.089947 -0.100926 -0.129754 0.038133 -0.001088 -0.091100 10H 1pz -0.035167 -0.045983 0.043842 0.005237 -0.038310 -0.062630 10H 1px -0.012891 -0.005150 0.027062 0.003240 -0.051457 -0.070283 10H 1py 0.089691 0.074296 0.020169 -0.008601 -0.021075 -0.005611 11H 1s -0.145237 -0.061242 0.038116 0.037640 0.097041 -0.027813 11H 2s 0.350425 0.223030 -0.087450 -0.121514 -0.184777 0.083977 11H 3s -0.228727 -0.155575 -0.019572 0.097738 -0.047619 -0.188751 11H 1pz -0.039934 0.056951 -0.036688 -0.011611 0.071946 0.089573 11H 1px 0.073769 0.052469 0.043585 -0.002764 -0.051764 -0.045507 11H 1py 0.000884 0.102604 0.003346 -0.003568 0.021089 0.077451 12H 1s 0.020786 0.019962 -0.073177 -0.081686 -0.046406 0.132275 12H 2s -0.184535 -0.142771 0.101054 0.163753 0.032270 -0.221250 12H 3s 0.190089 0.174041 -0.119662 -0.185403 -0.164736 0.071540 12H 1pz -0.169519 -0.055499 -0.067912 0.049397 0.000030 0.070959 12H 1px -0.016873 -0.001058 0.056147 0.041713 -0.022441 -0.081325 12H 1py -0.043236 -0.006861 -0.033954 0.012850 -0.000390 0.038041 13H 1s 0.103050 -0.055164 -0.025468 0.008281 0.036654 0.066156 13H 2s -0.380575 0.006325 0.022957 0.103380 -0.047210 -0.082586 13H 3s 0.218639 -0.083089 -0.061598 -0.099976 0.073399 0.003663 13H 1pz -0.055074 0.025071 0.036222 0.052921 0.028563 -0.017794 13H 1px -0.088410 -0.006057 -0.028948 0.057624 0.060741 0.043846 13H 1py 0.029651 0.058264 0.082326 0.021737 -0.014139 -0.075505 14H 1s -0.148972 0.050251 0.015331 0.061045 0.043927 -0.156036 14H 2s 0.370478 -0.152346 -0.123079 -0.206023 -0.145903 0.260492 14H 3s -0.205190 0.156567 -0.037467 0.190367 0.216641 -0.168199 14H 1pz 0.093882 0.004339 0.011228 -0.035001 -0.037671 -0.073680 14H 1px -0.071746 -0.042438 -0.020760 0.026222 0.015729 0.061347 14H 1py 0.010232 0.122154 0.056078 0.013813 0.056980 0.041863 15H 1s -0.017469 -0.020876 0.051969 -0.035525 -0.045667 0.020481 15H 2s 0.131516 0.137078 -0.084405 0.110570 0.083160 -0.073377 15H 3s 0.112133 -0.155109 -0.182055 -0.088038 0.008240 0.091452 15H 1pz 0.013641 0.037642 0.075547 0.038668 -0.032641 -0.098908 15H 1px -0.135588 0.012128 0.010266 0.098558 0.051396 0.011023 15H 1py -0.051503 -0.044382 -0.073567 -0.028874 0.040947 0.052054 16H 1s 0.039015 -0.027136 0.004875 -0.025301 0.003708 -0.017507 16H 2s -0.119128 0.119269 -0.002430 0.148582 -0.012526 0.100425 16H 3s -0.037234 -0.052402 -0.016813 -0.026437 0.011278 -0.036778 16H 1pz 0.040944 0.012284 -0.000141 -0.001247 -0.033938 -0.002156 16H 1px -0.033723 0.053776 -0.044417 -0.013458 -0.011968 0.000312 16H 1py -0.119914 0.085732 -0.005852 0.098153 0.023719 0.012103 17H 1s 0.026309 -0.016680 0.008994 0.004825 0.012541 0.002187 17H 2s -0.016045 0.063365 -0.030834 -0.115370 -0.020080 -0.037021 17H 3s 0.005678 -0.022486 0.026078 0.020705 -0.060906 -0.019632 17H 1pz 0.112492 -0.031853 -0.029551 -0.026363 -0.004305 -0.003891 17H 1px -0.057521 0.023336 0.069522 -0.048581 -0.058456 -0.092968 17H 1py -0.074412 0.050301 0.016733 -0.114559 -0.026688 -0.056806 18H 1s -0.025765 -0.015793 -0.009882 0.002379 -0.013827 -0.003825 18H 2s 0.014316 0.057954 0.044327 -0.111751 0.024379 0.041668 18H 3s -0.003334 -0.021304 -0.028064 0.019122 0.059084 0.016485 18H 1pz 0.111723 0.030068 -0.031528 0.022423 -0.002332 -0.000234 18H 1px -0.058133 -0.018066 0.064247 0.053833 -0.059795 -0.091017 18H 1py -0.074951 -0.045721 0.006454 0.114487 -0.028812 -0.059634 19H 1s -0.038967 -0.027453 -0.003118 -0.026991 -0.004199 0.015502 19H 2s 0.115502 0.122573 -0.007572 0.147881 0.011856 -0.094650 19H 3s 0.036378 -0.053217 0.019599 -0.025316 -0.009587 0.034609 19H 1pz 0.041448 -0.010360 -0.000216 0.001090 -0.034085 -0.003537 19H 1px -0.032885 -0.056598 -0.047138 0.011713 -0.011295 0.000301 19H 1py -0.118160 -0.087703 0.002518 -0.098503 0.022505 0.008586 20H 1s 0.016247 -0.020064 -0.049682 -0.038964 0.047721 -0.020855 20H 2s -0.126403 0.134420 0.073872 0.116325 -0.087616 0.077942 20H 3s -0.114816 -0.153649 0.189797 -0.076891 -0.005166 -0.098695 20H 1pz 0.010817 -0.035810 0.079634 -0.035019 -0.032034 -0.102633 20H 1px -0.133910 -0.013178 0.017688 -0.098822 0.051069 0.012536 20H 1py -0.049395 0.042603 -0.077063 0.024408 0.040560 0.056286 21H 1s 0.147826 0.047932 -0.019325 0.062129 -0.043280 0.154217 21H 2s -0.368529 -0.149779 0.139122 -0.199139 0.144915 -0.257762 21H 3s 0.202124 0.156151 0.020776 0.194109 -0.216410 0.166074 21H 1pz 0.090972 -0.002028 0.008096 0.035242 -0.037090 -0.076778 21H 1px -0.070230 0.041868 -0.019458 -0.028339 0.014943 0.064145 21H 1py 0.009748 -0.123154 0.058628 -0.007530 0.058889 0.039317 22H 1s -0.099832 -0.053524 0.024754 0.010383 -0.037493 -0.063620 22H 2s 0.371350 0.005290 -0.031099 0.101669 0.048601 0.074348 22H 3s -0.211562 -0.080819 0.070048 -0.094977 -0.073934 -0.003325 22H 1pz -0.055107 -0.025085 0.041098 -0.050028 0.028951 -0.017910 22H 1px -0.087004 0.004672 -0.024317 -0.059932 0.059926 0.046317 22H 1py 0.028751 -0.054930 0.083920 -0.015085 -0.012642 -0.079111 23H 1s -0.019022 0.021204 0.078084 -0.076763 0.046907 -0.131543 23H 2s 0.177412 -0.141176 -0.108750 0.162616 -0.032349 0.220901 23H 3s -0.185923 0.176733 0.129046 -0.175897 0.161217 -0.068293 23H 1pz -0.168059 0.051799 -0.066154 -0.057137 0.001204 0.073490 23H 1px -0.017073 0.003314 0.060413 -0.037686 -0.018928 -0.082931 23H 1py -0.043317 0.005975 -0.033106 -0.017419 -0.002099 0.038059 24H 1s 0.147512 -0.062330 -0.039314 0.034755 -0.099724 0.027392 24H 2s -0.352635 0.225443 0.092077 -0.113950 0.189155 -0.082035 24H 3s 0.231362 -0.154310 0.013787 0.106289 0.038896 0.189951 24H 1pz -0.041418 -0.058117 -0.038023 0.007672 0.070457 0.089881 24H 1px 0.071689 -0.049486 0.044718 0.006960 -0.050336 -0.047049 24H 1py -0.000682 -0.102301 0.005220 0.003854 0.021507 0.076632 25H 1s 0.001679 0.022753 0.029438 0.060797 0.006952 0.062010 25H 2s -0.055747 0.048069 -0.143738 -0.039516 0.008152 -0.097694 25H 3s 0.084981 -0.094953 0.128412 0.046998 0.001268 0.087089 25H 1pz -0.034744 0.044886 0.043206 -0.002086 -0.035319 -0.061468 25H 1px -0.014258 0.006355 0.027356 -0.002145 -0.048734 -0.070832 25H 1py 0.089028 -0.071557 0.021495 0.011772 -0.019173 -0.007436 26O 1s -0.003184 0.006290 -0.003751 0.007036 0.002334 0.000813 26O 2s -0.006273 0.012507 -0.010063 0.015155 0.004649 -0.000669 26O 3s -0.039621 0.084399 0.031108 0.064319 0.023618 0.055116 26O 4s 0.371361 -0.885089 0.082545 -0.845266 -0.221555 -0.205861 26O 5s 1.072584 -1.432499 -0.542330 -1.095773 -0.610747 -1.494401 26O 1pz 0.020855 -0.035735 0.019169 -0.030892 0.025558 -0.017974 26O 1px 0.002696 0.046575 0.034863 0.038480 0.011717 0.031815 26O 1py 0.017822 -0.008057 -0.016216 -0.024024 -0.011094 -0.000648 26O 2pz -0.034587 0.026070 0.039817 0.057925 0.005531 0.031494 26O 2px -0.302410 0.586752 -0.021137 0.551135 0.169162 0.258721 26O 2py -0.095441 0.300089 0.031293 0.194034 0.079785 0.142488 26O 3pz -0.007879 0.078029 0.106760 0.016122 0.146576 -0.323697 26O 3px -0.452868 0.761283 0.416923 0.591351 0.399685 0.421623 26O 3py -0.550149 0.117497 0.189952 0.344113 -0.214265 0.035745 26O 1dz2 0.003333 0.001232 0.001727 -0.009879 -0.001017 -0.000639 26O 1dxz 0.003313 -0.000487 0.000200 -0.004200 -0.004653 -0.002823 26O 1dyz 0.000593 -0.006624 0.000596 -0.000224 -0.000914 0.001358 26O 1dx2y2 -0.004026 0.008890 -0.001270 0.002361 -0.003163 0.008134 26O 1dxy 0.001188 0.004692 0.001029 0.001894 0.006411 0.000615 26O 2dz2 0.066513 0.298799 0.076113 0.123895 0.016828 0.002931 26O 2dxz 0.086993 -0.036004 -0.100866 -0.101653 -0.255588 0.007147 26O 2dyz 0.005419 0.059557 0.017124 0.151365 -0.203754 -0.066141 26O 2dx2y2 -0.052459 -0.123489 -0.173518 -0.218980 -0.289089 0.125640 26O 2dxy 0.180617 -0.067584 0.028856 -0.045475 0.318891 -0.183854 26O 1f0 0.005370 -0.005461 -0.000039 0.001447 0.001411 -0.005806 26O 1f+1 0.005280 -0.014436 0.000207 -0.005438 -0.000731 -0.007193 26O 1f-1 0.003153 -0.002426 -0.001347 0.001251 -0.001710 -0.007622 26O 1f+2 -0.001126 -0.006537 -0.000750 0.001993 0.005080 0.000445 26O 1f-2 -0.002898 0.008430 -0.001730 0.006893 0.003508 0.008029 26O 1f+3 0.005465 -0.004775 -0.000179 -0.008640 -0.001321 -0.001527 26O 1f-3 0.011925 -0.017354 0.001533 -0.019551 -0.011218 -0.011923 27O 1s -0.001192 -0.005659 0.003277 0.007307 0.002618 -0.002103 27O 2s 0.001826 -0.011606 0.006656 0.014899 0.008574 -0.003325 27O 3s -0.133305 -0.067504 0.034814 0.087376 -0.053403 -0.030532 27O 4s 0.666839 0.788358 -0.315502 -0.948479 0.044770 0.194810 27O 5s 2.677350 0.870466 -1.156797 -1.608762 1.119870 0.647803 27O 1pz -0.001684 0.021693 -0.017237 -0.012670 0.023278 0.003415 27O 1px -0.040077 -0.016313 0.014966 0.031940 -0.028260 0.011190 27O 1py 0.001051 -0.042582 -0.036863 0.036113 -0.009577 -0.001081 27O 2pz -0.012382 0.080404 0.008330 -0.010692 -0.006110 0.003104 27O 2px -0.618536 -0.502098 0.300295 0.693261 -0.153271 -0.221013 27O 2py 0.154413 0.123138 -0.043809 -0.114958 0.068690 0.017242 27O 3pz -0.000696 -0.244069 -0.398872 -0.053680 0.111538 0.004984 27O 3px -1.602049 -0.593853 0.498921 0.984862 -0.406595 0.026701 27O 3py 0.432449 -0.038083 -0.270959 -0.259919 -0.187492 -0.359249 27O 1dz2 0.003539 -0.004587 -0.003142 -0.008290 0.001279 0.002722 27O 1dxz 0.002976 0.003251 0.004996 -0.004259 0.002056 0.008238 27O 1dyz -0.000642 0.000660 -0.001607 0.004392 0.002728 -0.000055 27O 1dx2y2 -0.001971 -0.010359 0.003022 0.004475 -0.003632 -0.001346 27O 1dxy 0.003467 0.000848 0.003390 -0.000069 -0.002907 -0.000315 27O 2dz2 -0.124533 -0.178814 -0.077268 0.032399 -0.055325 -0.031128 27O 2dxz 0.207631 0.134847 0.356262 -0.076812 -0.022493 0.313354 27O 2dyz -0.067061 0.189731 0.047889 -0.097313 0.022906 -0.149323 27O 2dx2y2 0.359566 0.155800 0.015746 -0.331068 0.013304 -0.055494 27O 2dxy -0.138198 0.095222 0.356495 0.015844 -0.097789 0.071355 27O 1f0 -0.000940 -0.001489 -0.001296 -0.000495 -0.002914 0.000997 27O 1f+1 0.017008 0.014994 -0.012014 -0.015846 0.005901 0.006279 27O 1f-1 -0.003775 -0.005732 0.006649 0.000056 -0.002943 -0.001719 27O 1f+2 0.003031 0.007185 0.000457 -0.006444 -0.002531 -0.002830 27O 1f-2 0.003047 0.002022 -0.000329 -0.008535 0.001382 0.005419 27O 1f+3 0.018132 0.006134 -0.008828 -0.017978 0.002707 0.007244 27O 1f-3 -0.011350 -0.004567 0.006103 0.012958 -0.005222 -0.013226 28O 1s 0.001384 -0.006745 -0.003068 -0.006039 0.001384 -0.001591 28O 2s 0.004009 -0.013686 -0.010316 -0.012934 0.003154 -0.002973 28O 3s -0.023579 -0.085717 0.071824 -0.056903 0.017228 -0.003679 28O 4s 0.088492 0.937707 -0.126779 0.758439 -0.173847 0.066289 28O 5s -0.032444 1.070487 -1.060604 0.772094 -0.750339 -0.638608 28O 1pz -0.050301 0.018257 0.010960 0.020132 0.043569 0.024088 28O 1px -0.027667 0.034824 -0.012355 0.033016 -0.005014 -0.059144 28O 1py 0.035808 0.024025 -0.033978 0.018007 -0.017472 0.025327 28O 2pz -0.030144 -0.373815 0.132328 -0.321945 0.088984 0.049622 28O 2px 0.007404 0.517649 -0.152831 0.398846 -0.106274 0.073170 28O 2py -0.077124 -0.070055 0.045320 0.012779 0.056075 0.015116 28O 3pz -0.072608 -0.654253 0.093244 -0.152560 0.725233 0.530331 28O 3px 0.212094 0.549911 -0.431162 0.399625 -0.333719 -0.518378 28O 3py -0.139157 -0.111677 -0.015010 -0.254145 -0.075195 0.244013 28O 1dz2 -0.007077 -0.000745 -0.001975 0.007582 0.000207 0.002150 28O 1dxz 0.000642 0.004189 -0.000960 0.008137 0.000769 -0.001643 28O 1dyz 0.003283 0.003886 -0.000314 0.001172 0.002593 0.001246 28O 1dx2y2 0.002432 -0.008240 0.004597 -0.000315 0.000479 -0.005376 28O 1dxy 0.001160 0.000375 0.002748 -0.002658 -0.006819 -0.003240 28O 2dz2 -0.150416 -0.107884 -0.045943 0.018492 -0.097787 0.043345 28O 2dxz -0.052738 -0.279294 0.087062 -0.033379 0.311058 0.146461 28O 2dyz 0.080772 -0.076244 -0.034894 -0.141961 0.118624 0.090179 28O 2dx2y2 0.079032 0.024570 0.050015 0.218537 0.092905 -0.307643 28O 2dxy -0.021448 -0.125263 0.003046 -0.205271 -0.315246 0.081415 28O 1f0 0.006890 0.011513 -0.000932 -0.000181 0.000778 -0.000518 28O 1f+1 -0.001086 0.010546 -0.005224 0.007211 0.002246 0.005252 28O 1f-1 -0.000969 -0.008713 -0.000011 -0.007834 0.000886 -0.002906 28O 1f+2 0.004031 -0.011950 0.006484 -0.014660 0.007100 -0.001894 28O 1f-2 0.000119 0.005847 -0.006732 0.000305 -0.000350 0.007429 28O 1f+3 -0.001755 -0.012459 0.003035 -0.007834 0.004866 -0.000118 28O 1f-3 -0.001223 0.000043 -0.000909 -0.000233 -0.004719 0.003381 29O 1s 0.000647 -0.000320 0.000266 -0.000347 0.000282 -0.000045 29O 2s 0.003716 -0.001654 0.001054 -0.001501 0.001006 -0.000431 29O 3s -0.058355 0.026891 -0.010512 0.016732 -0.007237 0.010338 29O 4s 0.258357 -0.071577 0.026542 -0.058444 0.022112 -0.038253 29O 5s -0.419980 -0.093416 0.002603 0.077727 -0.024461 0.012497 29O 1pz -0.003369 -0.001756 0.000648 -0.009502 -0.008570 -0.011603 29O 1px 0.056845 -0.016303 -0.008362 -0.001683 0.001418 0.001826 29O 1py 0.047199 -0.041297 0.003288 0.002879 -0.003645 -0.000053 29O 2pz 0.014086 0.024204 0.009574 0.048189 -0.013681 0.003420 29O 2px -0.004399 -0.017814 0.015530 0.012202 -0.011470 -0.013492 29O 2py -0.069312 0.049551 -0.015536 0.007431 0.003489 0.016829 29O 3pz -0.127443 0.008431 -0.017724 0.134051 -0.005117 0.056147 29O 3px 0.216102 0.010538 -0.027055 0.036793 0.073742 0.064857 29O 3py 0.057018 0.004496 0.016925 0.004672 -0.027208 0.006030 29O 1dz2 -0.000553 0.000925 0.000182 0.002219 0.000363 -0.000182 29O 1dxz -0.001447 -0.001708 -0.000339 -0.003244 0.001281 -0.000190 29O 1dyz 0.001622 0.000406 0.000367 -0.002266 -0.001086 -0.000919 29O 1dx2y2 -0.000888 0.001365 0.000435 -0.002017 0.000246 -0.001089 29O 1dxy 0.000589 -0.003445 0.000244 0.000313 -0.001387 -0.001422 29O 2dz2 0.045468 -0.026308 0.029878 -0.012051 -0.032850 -0.036972 29O 2dxz -0.045824 0.020374 -0.047573 0.016971 0.041569 0.045423 29O 2dyz -0.000694 0.030637 -0.040331 0.020114 0.048255 0.028653 29O 2dx2y2 0.054072 -0.067690 -0.030651 0.046895 0.038408 0.073978 29O 2dxy -0.032232 -0.043314 -0.009075 -0.006088 -0.012837 -0.020392 29O 1f0 -0.002536 0.003381 -0.000934 0.001875 -0.001026 0.001630 29O 1f+1 0.001996 -0.000421 0.000765 0.001748 -0.000807 -0.001698 29O 1f-1 -0.005609 0.004995 -0.000270 0.003243 -0.001357 0.000704 29O 1f+2 0.000148 -0.002302 0.000303 -0.003674 0.000633 -0.001293 29O 1f-2 -0.005368 0.003460 -0.000995 -0.001989 0.000530 0.001229 29O 1f+3 0.003025 -0.001054 0.000190 0.001698 -0.000793 0.000208 29O 1f-3 0.002810 0.001907 0.000385 0.000316 0.000285 0.000546 30O 1s 0.001866 0.006275 0.001567 -0.005967 0.003678 -0.000296 30O 2s 0.005362 0.013620 0.003648 -0.011754 0.010137 -0.002640 30O 3s -0.024211 0.054725 0.014443 -0.082590 -0.039706 0.030004 30O 4s 0.051514 -0.746128 -0.168873 0.848534 -0.035423 -0.032408 30O 5s -0.090277 -0.783625 -0.683558 1.077926 0.916391 -0.164973 30O 1pz -0.029873 -0.000628 0.015866 0.007165 0.008114 -0.034518 30O 1px -0.042310 -0.047793 -0.011279 0.039571 0.055575 0.007475 30O 1py -0.015481 0.005849 -0.039924 -0.017691 0.039280 0.011491 30O 2pz 0.025995 0.208946 0.076280 -0.316506 -0.076410 0.052122 30O 2px -0.000089 -0.389867 -0.073317 0.427899 -0.015251 -0.073090 30O 2py 0.036629 -0.260409 -0.073043 0.268935 0.062902 0.001227 30O 3pz -0.038304 0.294117 0.143461 -0.304412 -0.286406 -0.380710 30O 3px 0.058943 -0.300658 -0.380672 0.455652 0.444650 0.058043 30O 3py 0.178254 -0.165340 -0.644109 0.513373 0.278268 0.220835 30O 1dz2 -0.003484 0.002881 0.006325 0.005516 0.001138 -0.003544 30O 1dxz -0.000556 -0.001390 -0.003998 0.008115 0.000657 -0.003461 30O 1dyz -0.000874 -0.000994 -0.001201 -0.002497 0.000650 -0.001378 30O 1dx2y2 -0.002162 0.009164 -0.002351 -0.001189 0.002136 0.004859 30O 1dxy -0.000214 0.003717 -0.001907 -0.002793 -0.000163 -0.002563 30O 2dz2 -0.144661 0.107299 0.287890 0.137659 -0.023324 -0.044740 30O 2dxz 0.018200 0.138880 -0.191896 -0.043160 -0.093030 -0.294527 30O 2dyz -0.001474 -0.106780 0.075269 -0.049189 -0.033590 0.054182 30O 2dx2y2 -0.094291 -0.015302 -0.061975 0.128054 0.104779 0.096064 30O 2dxy -0.124485 -0.205873 -0.301556 0.291680 0.202226 -0.012291 30O 1f0 -0.001051 -0.013916 -0.005054 0.015773 -0.000982 -0.004531 30O 1f+1 -0.001387 -0.001557 -0.004198 0.000565 -0.000333 -0.003924 30O 1f-1 -0.001701 0.004502 0.005432 0.008812 0.001764 -0.001803 30O 1f+2 0.001398 -0.000258 0.002872 -0.001703 -0.003002 0.000474 30O 1f-2 -0.002059 0.015033 0.004367 -0.012868 -0.000060 0.009592 30O 1f+3 0.004074 0.000020 0.001505 -0.000235 -0.002064 -0.003883 30O 1f-3 -0.001025 0.003715 -0.000136 -0.009876 -0.000565 -0.002317 31O 1s -0.001776 0.006285 -0.001162 -0.006152 -0.003637 0.000385 31O 2s -0.005162 0.013597 -0.002845 -0.012216 -0.010036 0.002839 31O 3s 0.024755 0.055762 -0.008868 -0.082899 0.039651 -0.029585 31O 4s -0.058812 -0.750477 0.111460 0.860060 0.031539 0.027157 31O 5s 0.074206 -0.793843 0.608962 1.133353 -0.904907 0.141703 31O 1pz -0.030484 0.001442 0.016263 -0.006090 0.008531 -0.035672 31O 1px -0.041416 0.047442 -0.008871 -0.041170 0.054871 0.008367 31O 1py -0.015300 -0.007014 -0.041006 0.015304 0.039148 0.012473 31O 2pz 0.022676 -0.210991 0.054002 0.321808 -0.076646 0.049646 31O 2px 0.003620 0.393848 -0.044443 -0.434200 -0.014735 -0.069765 31O 2py 0.039341 0.262074 -0.055429 -0.273008 0.062326 0.003923 31O 3pz -0.044834 -0.300673 0.124148 0.310157 -0.284956 -0.388338 31O 3px 0.064633 0.299517 -0.347176 -0.483481 0.442907 0.066127 31O 3py 0.183052 0.161509 -0.602264 -0.562855 0.279587 0.225133 31O 1dz2 0.003363 0.002690 -0.006767 0.005065 -0.001151 0.003481 31O 1dxz 0.000485 -0.001389 0.003363 0.008442 -0.000688 0.003448 31O 1dyz 0.000884 -0.000980 0.001418 -0.002392 -0.000614 0.001306 31O 1dx2y2 0.002092 0.009291 0.002308 -0.001093 -0.002195 -0.004906 31O 1dxy 0.000235 0.003758 0.002065 -0.002575 0.000191 0.002536 31O 2dz2 0.141315 0.100136 -0.298108 0.116344 0.021378 0.043887 31O 2dxz -0.014963 0.140591 0.193767 -0.025935 0.090873 0.297299 31O 2dyz 0.004145 -0.105386 -0.070439 -0.054951 0.032742 -0.052900 31O 2dx2y2 0.092290 -0.011454 0.051987 0.132529 -0.106074 -0.098617 31O 2dxy 0.121327 -0.201821 0.280846 0.317063 -0.201597 0.008836 31O 1f0 -0.000900 0.014053 -0.004019 -0.016128 -0.000960 -0.004342 31O 1f+1 -0.001352 0.001565 -0.004207 -0.000934 -0.000360 -0.003867 31O 1f-1 -0.001618 -0.004371 0.006232 -0.008364 0.001827 -0.001840 31O 1f+2 0.001381 0.000221 0.002749 0.001952 -0.003027 0.000470 31O 1f-2 -0.002238 -0.015272 0.003587 0.013218 0.000017 0.009307 31O 1f+3 0.004059 0.000081 0.001474 0.000360 -0.002107 -0.003841 31O 1f-3 -0.001155 -0.003819 -0.000930 0.009795 -0.000580 -0.002412 32O 1s -0.000636 -0.000288 -0.000275 -0.000370 -0.000289 0.000049 32O 2s -0.003700 -0.001546 -0.001030 -0.001676 -0.001050 0.000373 32O 3s 0.058632 0.026101 0.009315 0.020035 0.007924 -0.008185 32O 4s -0.260108 -0.069559 -0.020236 -0.073269 -0.025165 0.029230 32O 5s 0.423994 -0.096650 -0.014510 0.099703 0.028505 -0.008089 32O 1pz -0.004118 0.001867 -0.000193 0.009141 -0.008884 -0.011688 32O 1px 0.056359 0.015458 -0.008249 0.001807 0.001583 0.002172 32O 1py 0.047538 0.040546 0.003644 -0.001757 -0.003132 0.001082 32O 2pz 0.014409 -0.024248 0.014075 -0.047275 -0.012801 0.002522 32O 2px -0.004103 0.017873 0.016324 -0.010422 -0.011000 -0.011401 32O 2py -0.068957 -0.048974 -0.014563 -0.012444 0.001873 0.012932 32O 3pz -0.123259 -0.010820 -0.006830 -0.136616 -0.005595 0.055281 32O 3px 0.217042 -0.013359 -0.022036 -0.031955 0.076427 0.063808 32O 3py 0.056381 -0.006287 0.016094 -0.004238 -0.025499 0.010163 32O 1dz2 0.000705 0.000936 -0.000410 0.002316 -0.000488 0.000154 32O 1dxz 0.001539 -0.001733 0.000597 -0.003161 -0.001290 0.000204 32O 1dyz -0.001533 0.000376 -0.000190 -0.002260 0.001062 0.000927 32O 1dx2y2 0.000993 0.001364 -0.000226 -0.002037 -0.000268 0.001029 32O 1dxy -0.000556 -0.003459 -0.000182 0.000242 0.001396 0.001335 32O 2dz2 -0.043851 -0.030189 -0.030425 -0.013943 0.034940 0.036593 32O 2dxz 0.044213 0.025697 0.046526 0.019336 -0.043399 -0.045251 32O 2dyz -0.002066 0.030815 0.037520 0.023311 -0.048642 -0.028061 32O 2dx2y2 -0.054827 -0.063778 0.024554 0.049906 -0.039452 -0.075160 32O 2dxy 0.029813 -0.044453 0.014257 -0.005338 0.012841 0.017523 32O 1f0 -0.002238 -0.003070 -0.000739 -0.002019 -0.001016 0.001325 32O 1f+1 0.002251 0.000595 0.000959 -0.001579 -0.000746 -0.001630 32O 1f-1 -0.005788 -0.005099 -0.000048 -0.003474 -0.001472 0.000351 32O 1f+2 0.000492 0.002547 -0.000013 0.003889 0.000660 -0.001222 32O 1f-2 -0.005257 -0.003301 -0.001107 0.001811 0.000435 0.000869 32O 1f+3 0.002867 0.000955 0.000297 -0.001529 -0.000746 0.000306 32O 1f-3 0.002742 -0.002002 0.000501 -0.000331 0.000353 0.000661 33O 1s -0.001218 -0.006724 0.003653 -0.005869 -0.001282 0.001586 33O 2s -0.003594 -0.013586 0.011523 -0.012253 -0.002921 0.003000 33O 3s 0.023592 -0.086789 -0.065084 -0.063815 -0.016636 0.002570 33O 4s -0.101221 0.940544 0.048386 0.777699 0.167129 -0.061165 33O 5s 0.020405 1.091894 0.965367 0.889693 0.721165 0.655255 33O 1pz -0.050264 -0.017570 0.012699 -0.019875 0.042552 0.023870 33O 1px -0.026582 -0.034849 -0.009048 -0.034687 -0.003695 -0.059497 33O 1py 0.036160 -0.024305 -0.032191 -0.020468 -0.017647 0.025610 33O 2pz -0.034746 0.375214 0.097467 0.336571 0.084633 0.053614 33O 2px 0.014180 -0.521413 -0.109990 -0.417451 -0.101509 0.069719 33O 2py -0.077292 0.071081 0.044647 -0.008949 0.055869 0.016253 33O 3pz -0.071965 0.658361 0.068849 0.182313 0.710545 0.537523 33O 3px 0.218169 -0.555825 -0.383719 -0.447593 -0.319893 -0.528080 33O 3py -0.137859 0.106540 -0.036779 0.255751 -0.078617 0.250858 33O 1dz2 0.006979 -0.000695 0.001364 0.007780 -0.000176 -0.002211 33O 1dxz -0.000745 0.004162 0.000205 0.008226 -0.000821 0.001711 33O 1dyz -0.003339 0.003885 0.000192 0.001124 -0.002493 -0.001254 33O 1dx2y2 -0.002366 -0.008371 -0.004427 -0.000756 -0.000503 0.005393 33O 1dxy -0.001144 0.000371 -0.002533 -0.002858 0.006824 0.003194 33O 2dz2 0.153876 -0.104668 0.045581 0.026382 0.096370 -0.045348 33O 2dxz 0.054362 -0.280057 -0.078445 -0.043965 -0.307822 -0.148615 33O 2dyz -0.076946 -0.075659 0.046553 -0.139621 -0.117614 -0.086609 33O 2dx2y2 -0.081764 0.022106 -0.068286 0.214547 -0.098942 0.309978 33O 2dxy 0.020782 -0.120082 0.016323 -0.205371 0.315602 -0.087428 33O 1f0 0.006878 -0.011606 -0.000740 -0.000009 0.000923 -0.000596 33O 1f+1 -0.001048 -0.010678 -0.004332 -0.007735 0.002461 0.005115 33O 1f-1 -0.001022 0.008682 -0.000833 0.007832 0.000832 -0.002819 33O 1f+2 0.003795 0.012101 0.005008 0.015509 0.006784 -0.001766 33O 1f-2 0.000167 -0.006098 -0.006556 -0.000920 -0.000298 0.007373 33O 1f+3 -0.001883 0.012442 0.002102 0.008200 0.004746 0.000043 33O 1f-3 -0.001231 -0.000136 -0.000927 0.000119 -0.004703 0.003380 34O 1s 0.001178 -0.005756 -0.003734 0.007122 -0.002612 0.002077 34O 2s -0.001818 -0.011810 -0.007558 0.014472 -0.008565 0.003285 34O 3s 0.132152 -0.068085 -0.041160 0.086881 0.053375 0.030111 34O 4s -0.660296 0.794589 0.378991 -0.938277 -0.045197 -0.190781 34O 5s -2.665341 0.905498 1.275646 -1.570147 -1.111693 -0.658197 34O 1pz -0.001790 -0.021646 -0.018395 0.012462 0.023105 0.003775 34O 1px -0.040158 0.016901 0.017127 -0.031275 -0.027341 0.010477 34O 1py 0.000953 0.042935 -0.034439 -0.039074 -0.009166 -0.000764 34O 2pz -0.011848 -0.081157 0.008973 0.011764 -0.005769 0.002398 34O 2px -0.613362 0.510165 0.347950 -0.682308 -0.152334 -0.220723 34O 2py 0.153663 -0.124399 -0.051338 0.114067 0.068447 0.017160 34O 3pz 0.003488 0.237094 -0.411915 0.019855 0.108451 0.017869 34O 3px -1.594742 0.600448 0.570960 -0.977486 -0.404940 0.024683 34O 3py 0.430586 0.039186 -0.294060 0.245893 -0.184968 -0.361124 34O 1dz2 -0.003428 -0.004545 0.003911 -0.008092 -0.001259 -0.002773 34O 1dxz -0.002898 0.003288 -0.004746 -0.004764 -0.002035 -0.008199 34O 1dyz 0.000630 0.000711 0.001210 0.004508 -0.002744 0.000122 34O 1dx2y2 0.001978 -0.010489 -0.003226 0.004326 0.003631 0.001346 34O 1dxy -0.003435 0.000747 -0.003417 -0.000327 0.002864 0.000391 34O 2dz2 0.127006 -0.178104 0.078020 0.042509 0.053711 0.032086 34O 2dxz -0.202984 0.134676 -0.355614 -0.107713 0.021031 -0.305110 34O 2dyz 0.067448 0.187057 -0.042614 -0.101241 -0.023275 0.151441 34O 2dx2y2 -0.355890 0.155775 0.007958 -0.336491 -0.011039 0.056399 34O 2dxy 0.137808 0.090377 -0.361292 -0.008683 0.098590 -0.069830 34O 1f0 -0.000963 0.001470 -0.001324 0.000284 -0.002938 0.000974 34O 1f+1 0.016821 -0.015351 -0.012973 0.015200 0.005929 0.006135 34O 1f-1 -0.003816 0.005956 0.006520 0.000399 -0.002947 -0.001723 34O 1f+2 0.003047 -0.007146 0.000013 0.006538 -0.002495 -0.002844 34O 1f-2 0.002989 -0.002031 -0.000995 0.008584 0.001339 0.005449 34O 1f+3 0.017995 -0.006305 -0.010171 0.017654 0.002692 0.007300 34O 1f-3 -0.011248 0.004809 0.007026 -0.012754 -0.005227 -0.013239 35O 1s 0.003099 0.006280 0.003083 0.007365 -0.002291 -0.000824 35O 2s 0.006068 0.012494 0.008664 0.016035 -0.004489 0.000616 35O 3s 0.039412 0.083808 -0.038140 0.061768 -0.024852 -0.054595 35O 4s -0.361682 -0.882553 0.001641 -0.852308 0.225358 0.205059 35O 5s -1.086137 -1.397049 0.658774 -1.073572 0.614239 1.483011 35O 1pz 0.019690 0.036488 0.016126 0.033303 0.025766 -0.018270 35O 1px 0.002192 -0.045094 0.038403 -0.037177 0.011385 0.032010 35O 1py 0.017635 0.008837 -0.018112 0.023518 -0.011843 -0.000654 35O 2pz -0.034734 -0.024208 0.045266 -0.054770 0.005606 0.031087 35O 2px -0.298559 -0.582770 0.034456 -0.554972 0.170364 0.256845 35O 2py -0.095157 -0.297712 0.052766 -0.192642 0.080580 0.140898 35O 3pz -0.011070 -0.072729 0.111434 -0.004100 0.153101 -0.326010 35O 3px -0.459881 -0.738037 0.480438 -0.563831 0.401849 0.413292 35O 3py -0.549013 -0.108799 0.222877 -0.334735 -0.212563 0.035147 35O 1dz2 -0.003199 0.001192 -0.000930 -0.010027 0.001003 0.000699 35O 1dxz -0.003239 -0.000547 0.000135 -0.004288 0.004647 0.002859 35O 1dyz -0.000564 -0.006626 -0.000471 -0.000293 0.000919 -0.001412 35O 1dx2y2 0.003979 0.008944 0.000913 0.002539 0.003163 -0.008109 35O 1dxy -0.001118 0.004640 -0.001300 0.001766 -0.006450 -0.000527 35O 2dz2 -0.066836 0.293468 -0.090631 0.118569 -0.019271 -0.001236 35O 2dxz -0.088809 -0.033702 0.111042 -0.095214 0.261459 -0.008866 35O 2dyz -0.009936 0.062188 -0.029476 0.151280 0.204297 0.062828 35O 2dx2y2 0.050199 -0.117154 0.192485 -0.206875 0.288470 -0.126224 35O 2dxy -0.178615 -0.066217 -0.022773 -0.051968 -0.320134 0.185803 35O 1f0 0.005438 0.005500 -0.000021 -0.001398 0.001413 -0.005785 35O 1f+1 0.005358 0.014385 -0.000516 0.005472 -0.000752 -0.007127 35O 1f-1 0.003260 0.002430 -0.001281 -0.001302 -0.001651 -0.007641 35O 1f+2 -0.001152 0.006605 -0.000674 -0.001974 0.005050 0.000441 35O 1f-2 -0.002883 -0.008415 -0.000986 -0.007033 0.003507 0.007974 35O 1f+3 0.005447 0.004699 -0.000958 0.008657 -0.001342 -0.001540 35O 1f-3 0.011902 0.017178 -0.000411 0.019698 -0.011254 -0.011777 378 379 380 381 382 383 2.01623 2.03395 2.04251 2.05144 2.07028 2.07433 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s -0.001119 -0.003485 0.001362 0.004672 0.001198 0.000121 0Rh 2s 0.005303 0.013204 -0.004833 -0.020941 -0.004960 -0.000772 0Rh 3s -0.003344 -0.012436 0.005062 0.014699 0.004022 0.000243 0Rh 4s -0.026380 -0.065142 0.023785 0.104321 0.024659 0.003895 0Rh 5s 0.035501 0.063454 -0.020186 -0.133761 -0.028374 -0.006802 0Rh 6s 0.022282 0.168160 -0.075110 -0.122847 -0.044429 0.003536 0Rh 7s -0.080754 -0.577455 0.248182 0.837391 0.258226 0.008390 0Rh 8s -0.129913 -0.289201 0.142910 0.931734 0.392679 0.079345 0Rh 1pz 0.003216 -0.005717 -0.001526 0.002211 -0.001901 -0.000178 0Rh 1px -0.001209 0.014375 -0.008204 0.017262 0.000021 0.000834 0Rh 1py 0.010567 0.000772 0.002309 0.000546 0.007541 -0.002004 0Rh 2pz -0.011326 0.019880 0.005107 -0.006832 0.006427 0.000558 0Rh 2px 0.004439 -0.050365 0.028623 -0.061651 -0.000724 -0.002923 0Rh 2py -0.036930 -0.002758 -0.007982 -0.002115 -0.026498 0.006942 0Rh 3pz 0.008613 -0.009346 0.001326 -0.014780 -0.000013 0.001261 0Rh 3px -0.007192 0.031248 -0.015319 0.062675 0.014025 0.001808 0Rh 3py 0.022502 0.002063 0.002859 0.006121 0.016430 -0.002480 0Rh 4pz 0.037142 -0.092038 -0.035049 0.103792 -0.036466 -0.010347 0Rh 4px 0.000901 0.206009 -0.125954 0.149734 -0.051329 0.011860 0Rh 4py 0.141310 0.014923 0.039418 -0.014627 0.116054 -0.035931 0Rh 5pz -0.055309 0.168283 0.048278 -0.174339 0.050705 0.023628 0Rh 5px -0.005478 -0.391897 0.232815 -0.266884 0.083418 -0.022862 0Rh 5py -0.213445 -0.045651 -0.061559 0.034899 -0.224966 0.063601 0Rh 6pz -0.188489 -0.356610 -0.400183 0.387728 -0.239335 -0.035608 0Rh 6px -0.034082 0.555493 -0.368598 0.622876 -0.072320 0.048415 0Rh 6py 0.112111 -0.108759 -0.237154 -0.037374 0.385507 0.111986 0Rh 1dz2 -0.002086 0.005309 0.005385 -0.003743 -0.003655 0.002039 0Rh 1dxz 0.002220 -0.000161 -0.005711 -0.012500 -0.001946 -0.000215 0Rh 1dyz -0.001610 0.006163 0.004841 -0.001694 0.003824 0.013596 0Rh 1dx2y2 -0.000456 -0.003985 -0.000615 0.007012 -0.002537 0.003233 0Rh 1dxy 0.005991 -0.008582 0.008612 0.004599 -0.006546 0.005672 0Rh 2dz2 0.000616 0.001919 0.001048 -0.001474 0.000780 -0.004805 0Rh 2dxz -0.000256 0.002434 0.000046 -0.001564 0.000021 0.000129 0Rh 2dyz 0.000097 0.000602 0.001201 -0.001199 0.002731 -0.009550 0Rh 2dx2y2 -0.001169 -0.002579 0.002826 0.003067 0.002782 -0.002398 0Rh 2dxy -0.001474 -0.000111 -0.000090 0.000382 0.003508 -0.003590 0Rh 3dz2 0.002597 -0.022154 -0.018185 0.016286 0.005997 0.016438 0Rh 3dxz -0.004713 -0.010452 0.014617 0.039440 0.005202 -0.000089 0Rh 3dyz 0.003674 -0.018424 -0.017571 0.009701 -0.022256 0.008609 0Rh 3dx2y2 0.006349 0.021862 -0.010851 -0.031803 -0.005889 0.002368 0Rh 3dxy -0.008862 0.022620 -0.021764 -0.013659 0.001528 0.001837 0Rh 4dz2 0.010102 0.027632 0.006779 -0.022334 0.012310 -0.079345 0Rh 4dxz -0.002540 0.039856 0.000278 -0.025120 -0.002625 0.003261 0Rh 4dyz 0.003175 0.004780 0.008985 -0.018190 0.043091 -0.171106 0Rh 4dx2y2 -0.016752 -0.043331 0.041233 0.046445 0.044348 -0.038239 0Rh 4dxy -0.022657 -0.002096 -0.004485 0.006962 0.049972 -0.065471 0Rh 5dz2 -0.043393 -0.100725 0.083523 0.075680 -0.043747 0.410392 0Rh 5dxz 0.010968 -0.205947 0.004654 0.104874 0.019657 -0.028750 0Rh 5dyz -0.041595 0.045770 0.125948 0.071172 -0.167605 0.987027 0Rh 5dx2y2 0.044385 0.241365 -0.161529 -0.167524 -0.190301 0.186201 0Rh 5dxy 0.070407 0.049084 0.070090 -0.032382 -0.168251 0.384848 0Rh 1f0 0.020003 0.003343 -0.048566 -0.045216 0.033165 0.035956 0Rh 1f+1 0.009218 -0.024144 0.010912 -0.008799 -0.112918 0.023100 0Rh 1f-1 0.088320 -0.054486 -0.018599 0.028753 0.019335 -0.035210 0Rh 1f+2 0.033283 -0.074082 0.063610 -0.050063 0.108084 -0.046019 0Rh 1f-2 0.068249 -0.041811 0.065943 0.047913 -0.052685 0.059872 0Rh 1f+3 -0.007647 -0.065959 0.007314 0.022050 0.087096 0.062801 0Rh 1f-3 0.078381 -0.060111 -0.024661 0.056888 -0.057910 -0.011824 1Rh 1s -0.001132 -0.003372 0.001259 -0.004812 -0.001066 -0.000532 1Rh 2s 0.005362 0.012704 -0.004392 0.021458 0.004374 0.002318 1Rh 3s -0.003384 -0.012075 0.004726 -0.015207 -0.003605 -0.001714 1Rh 4s -0.026675 -0.062659 0.021590 -0.106873 -0.021752 -0.011535 1Rh 5s 0.035878 0.060363 -0.017467 0.136085 0.024857 0.014092 1Rh 6s 0.022671 0.164805 -0.072202 0.130294 0.039828 0.017307 1Rh 7s -0.084087 -0.553372 0.230637 -0.862130 -0.241325 -0.080776 1Rh 8s -0.132620 -0.273490 0.116489 -0.937211 -0.403123 -0.042262 1Rh 1pz -0.002712 0.005611 0.001553 0.002330 -0.001655 -0.002583 1Rh 1px 0.001390 -0.014736 0.008693 0.016572 -0.000040 -0.000222 1Rh 1py -0.010497 -0.000725 -0.001925 0.000706 0.007414 0.001536 1Rh 2pz 0.009604 -0.019537 -0.005188 -0.007247 0.005542 0.009095 1Rh 2px -0.005063 0.051647 -0.030380 -0.059244 -0.000474 0.000692 1Rh 2py 0.036693 0.002606 0.006664 -0.002681 -0.026037 -0.005382 1Rh 3pz -0.008429 0.009737 -0.001636 -0.014540 0.000956 -0.006502 1Rh 3px 0.007392 -0.032444 0.017307 0.061367 0.013085 0.001484 1Rh 3py -0.022488 -0.002196 -0.002542 0.006555 0.015794 0.003066 1Rh 4pz -0.026897 0.088326 0.037140 0.105723 -0.034623 -0.033075 1Rh 4px 0.002286 -0.209464 0.129498 0.139105 -0.049029 -0.011135 1Rh 4py -0.139922 -0.013235 -0.032239 -0.012888 0.115771 0.024276 1Rh 5pz 0.038278 -0.162064 -0.052632 -0.178622 0.048193 0.054593 1Rh 5px 0.000143 0.397575 -0.239574 -0.246572 0.077928 0.022106 1Rh 5py 0.211320 0.042273 0.049476 0.032850 -0.225273 -0.046517 1Rh 6pz 0.221890 0.335925 0.412688 0.383868 -0.275164 -0.039783 1Rh 6px 0.045733 -0.559635 0.391017 0.587813 -0.051684 -0.013442 1Rh 6py -0.111793 0.121200 0.267022 -0.043087 0.382915 -0.102977 1Rh 1dz2 -0.001931 0.005151 0.005609 0.003601 0.003565 0.003822 1Rh 1dxz 0.002592 -0.000386 -0.005295 0.012671 0.002135 -0.000965 1Rh 1dyz -0.001681 0.006089 0.004796 0.001584 -0.004443 0.014107 1Rh 1dx2y2 -0.000218 -0.003802 -0.000736 -0.007046 0.002073 0.000950 1Rh 1dxy 0.006069 -0.008454 0.008648 -0.004922 0.006046 0.004007 1Rh 2dz2 0.000497 0.001902 0.001044 0.001526 -0.000713 -0.004824 1Rh 2dxz -0.000261 0.002392 0.000031 0.001634 -0.000065 0.000413 1Rh 2dyz -0.000016 0.000584 0.001141 0.001231 -0.002580 -0.009682 1Rh 2dx2y2 -0.001222 -0.002515 0.002695 -0.003209 -0.002543 -0.002507 1Rh 2dxy -0.001522 -0.000107 -0.000122 -0.000397 -0.003328 -0.003887 1Rh 3dz2 0.002728 -0.021671 -0.018743 -0.016162 -0.006068 0.011880 1Rh 3dxz -0.005649 -0.009687 0.013597 -0.040197 -0.005481 0.000609 1Rh 3dyz 0.004363 -0.018158 -0.017185 -0.009569 0.023138 0.007888 1Rh 3dx2y2 0.005968 0.021108 -0.009959 0.032529 0.006022 0.008801 1Rh 3dxy -0.008850 0.022272 -0.021718 0.014558 -0.001048 0.007456 1Rh 4dz2 0.008242 0.027408 0.006638 0.023435 -0.011113 -0.079440 1Rh 4dxz -0.002584 0.039209 0.000254 0.026263 0.001703 0.007433 1Rh 4dyz 0.001407 0.004571 0.008076 0.018960 -0.039752 -0.173402 1Rh 4dx2y2 -0.017532 -0.042399 0.039284 -0.048762 -0.040535 -0.040195 1Rh 4dxy -0.023438 -0.001952 -0.004958 -0.007113 -0.046828 -0.069231 1Rh 5dz2 -0.035221 -0.100841 0.084589 -0.083868 0.034982 0.410766 1Rh 5dxz 0.010203 -0.203349 0.003009 -0.111025 -0.014408 -0.041624 1Rh 5dyz -0.034135 0.045701 0.129490 -0.078510 0.141439 0.998094 1Rh 5dx2y2 0.047041 0.238602 -0.153912 0.179280 0.173578 0.192566 1Rh 5dxy 0.073890 0.047583 0.071293 0.032563 0.150492 0.392620 1Rh 1f0 -0.020075 -0.004266 0.047172 -0.046675 0.031360 -0.030267 1Rh 1f+1 -0.011056 0.021652 -0.016494 -0.008381 -0.111572 -0.011979 1Rh 1f-1 -0.084922 0.054615 0.019726 0.029676 0.017668 0.040023 1Rh 1f+2 -0.036656 0.075274 -0.063868 -0.046328 0.110477 0.048455 1Rh 1f-2 -0.069315 0.042130 -0.063698 0.051998 -0.051513 -0.072728 1Rh 1f+3 0.009638 0.065672 -0.007389 0.022211 0.096417 -0.049305 1Rh 1f-3 -0.075731 0.057842 0.028746 0.059997 -0.058682 -0.001652 2C 1s -0.002432 -0.005050 0.003346 -0.002551 0.006359 0.011482 2C 2s -0.007329 -0.016265 0.009364 -0.010063 0.024353 0.038841 2C 3s 0.068681 0.021398 0.018089 0.073591 -0.205486 -0.216482 2C 4s -0.126510 0.476210 -0.502148 0.024353 0.204641 -0.248702 2C 5s 0.371664 0.861051 0.338179 1.027861 0.914074 0.561091 2C 1pz 0.029126 0.098510 -0.072460 0.080354 -0.038611 -0.131001 2C 1px -0.079102 -0.036388 -0.140272 -0.171696 -0.131979 0.019745 2C 1py 0.122610 0.083798 0.051992 0.035053 -0.117208 -0.159906 2C 2pz -0.059033 0.135194 -0.164761 -0.042551 0.072863 -0.218399 2C 2px 0.180955 0.258152 0.291500 0.258012 0.354754 -0.233473 2C 2py -0.223310 0.021901 -0.381780 -0.048281 0.256733 0.077657 2C 3pz -0.004671 0.275374 -0.096401 0.210023 0.227403 0.045350 2C 3px -0.033213 -0.015279 0.052488 -0.068498 0.108344 0.267471 2C 3py 0.193248 0.236878 0.043906 0.199131 -0.026251 -0.076746 2C 1dz2 0.000434 -0.028181 0.016411 -0.022274 0.016655 0.023032 2C 1dxz 0.015486 -0.029399 -0.032461 0.013644 -0.005604 0.022857 2C 1dyz -0.018502 -0.038644 0.023460 -0.015111 0.031491 0.042677 2C 1dx2y2 0.023402 0.015596 0.013644 0.007745 0.017990 -0.014516 2C 1dxy -0.009219 -0.014696 -0.003106 0.009361 -0.001215 0.011375 2C 2dz2 0.005997 0.142235 -0.049369 0.069823 -0.091389 -0.197637 2C 2dxz 0.002528 0.200284 0.198766 0.091834 0.134852 -0.181221 2C 2dyz -0.018405 0.193040 -0.268452 -0.039734 -0.062737 -0.190575 2C 2dx2y2 0.018869 -0.033887 0.043618 -0.056214 -0.078162 -0.014506 2C 2dxy 0.012640 0.136927 0.025954 0.016495 0.099482 -0.124916 2C 1f0 0.034643 0.025137 0.020899 0.018935 0.007772 -0.029767 2C 1f+1 -0.004587 0.008709 0.015121 -0.008550 0.018569 -0.001887 2C 1f-1 0.000737 0.018040 -0.036145 0.014409 -0.033328 -0.045641 2C 1f+2 -0.008541 -0.059241 -0.010099 -0.016013 0.005949 0.060013 2C 1f-2 0.017758 0.039211 -0.035394 0.015543 -0.059846 -0.054781 2C 1f+3 0.003734 -0.054057 -0.005797 -0.023937 0.042428 0.055175 2C 1f-3 0.006827 0.007729 0.038064 -0.007017 0.046528 0.007086 3C 1s -0.002798 -0.005393 0.000912 0.001581 -0.003389 -0.013067 3C 2s -0.008450 -0.016632 0.004036 0.005571 -0.012271 -0.044490 3C 3s 0.076726 0.014307 -0.009224 -0.042064 0.097213 0.250090 3C 4s -0.140881 0.559743 -0.065349 0.044759 -0.113141 0.262522 3C 5s 0.752618 0.368344 -0.673370 1.225833 -1.247957 -0.582735 3C 1pz 0.186198 0.009206 -0.120895 0.091204 -0.107351 0.163899 3C 1px 0.006959 0.062991 0.049702 -0.154696 0.000649 0.037643 3C 1py 0.015901 -0.127590 -0.015108 0.036374 -0.131924 -0.163565 3C 2pz -0.443291 0.229404 0.357163 -0.175713 0.253700 -0.165479 3C 2px 0.100009 -0.029739 -0.169664 0.223141 -0.101655 0.142357 3C 2py -0.075128 -0.132447 0.114859 -0.156152 0.346403 -0.208479 3C 3pz 0.230278 0.196770 -0.145962 0.184060 -0.300726 0.213692 3C 3px 0.090037 0.006475 -0.083022 0.068101 -0.158419 -0.137718 3C 3py -0.039996 -0.219273 0.111222 -0.202420 0.109296 0.084758 3C 1dz2 0.002884 0.011051 -0.002680 -0.009961 -0.007855 0.011966 3C 1dxz -0.036926 -0.006281 0.013605 0.009845 0.030785 -0.017853 3C 1dyz 0.010743 0.044093 0.003276 -0.004229 0.030786 0.042383 3C 1dx2y2 -0.006159 0.015480 -0.034767 0.020906 -0.003231 0.033850 3C 1dxy 0.022991 0.014687 -0.016749 -0.014141 -0.015514 0.031783 3C 2dz2 -0.116115 -0.022617 0.147838 -0.058821 0.130241 -0.194230 3C 2dxz 0.047668 0.041748 -0.012977 0.048663 -0.004461 0.063390 3C 2dyz 0.104987 -0.286638 -0.077518 0.122864 -0.174274 -0.176415 3C 2dx2y2 -0.011158 -0.098460 0.135129 -0.106097 0.142466 -0.164411 3C 2dxy -0.112830 -0.052969 0.139313 -0.030776 0.151922 -0.191472 3C 1f0 0.002503 -0.003683 -0.046581 0.013129 -0.001824 0.018258 3C 1f+1 0.028295 -0.008607 -0.040006 0.009923 -0.028259 0.015879 3C 1f-1 0.019314 0.021276 -0.005092 -0.024521 0.005256 0.032092 3C 1f+2 -0.015968 -0.066179 0.020902 0.007457 -0.034388 -0.109001 3C 1f-2 -0.018099 -0.033888 0.039294 0.008491 0.005569 -0.068716 3C 1f+3 -0.008754 0.005464 -0.004314 0.005552 0.017008 0.014173 3C 1f-3 -0.030557 0.019405 0.025615 -0.012384 0.039047 0.001064 4C 1s -0.001225 -0.008194 -0.005812 0.000205 -0.011852 0.003411 4C 2s -0.002461 -0.026759 -0.017360 0.002590 -0.039882 0.011393 4C 3s -0.003766 0.196308 -0.252520 -0.278967 0.180193 -0.092396 4C 4s 0.059031 -0.353948 2.215675 1.393370 0.742521 0.268378 4C 5s -0.183300 -0.383778 0.438177 -0.099528 0.467045 1.151249 4C 1pz -0.002246 -0.050068 0.122268 -0.069585 0.063296 0.101209 4C 1px 0.110615 -0.045707 0.050181 0.078094 0.146607 0.024856 4C 1py -0.121903 -0.070184 0.018459 -0.036019 0.108128 0.115856 4C 2pz -0.036710 0.507196 0.153944 1.026714 0.425421 -0.555218 4C 2px -0.838663 0.295442 -0.487669 -1.869389 -0.689287 -0.097996 4C 2py 0.410132 0.473316 0.136078 0.003881 -0.088752 -0.506301 4C 3pz 0.144858 0.133199 0.611912 0.808909 1.315268 2.013438 4C 3px -0.134277 -0.072423 -0.296554 -0.544973 -0.059590 0.382332 4C 3py -0.129966 0.005591 0.200438 0.112639 0.974956 1.459768 4C 1dz2 -0.006654 -0.029944 -0.014104 -0.027113 0.013966 0.027911 4C 1dxz -0.008236 -0.005556 0.012457 0.018095 0.000100 0.012658 4C 1dyz -0.008358 -0.035048 0.003422 -0.004331 0.014310 0.010077 4C 1dx2y2 0.018186 0.006443 -0.011615 0.006307 -0.000857 -0.002309 4C 1dxy -0.013171 -0.005249 0.004070 0.014893 -0.014091 0.001882 4C 2dz2 0.011041 -0.216192 0.223761 0.249459 0.005915 0.263575 4C 2dxz -0.338409 0.161820 0.077769 -0.699057 -0.033894 0.070425 4C 2dyz 0.049311 -0.210777 0.231326 -0.003640 0.180153 0.490303 4C 2dx2y2 -0.192376 0.173410 0.156148 0.287411 0.105252 -0.301051 4C 2dxy -0.022310 0.166748 0.326112 -0.287814 -0.021334 -0.116318 4C 1f0 0.035666 -0.005988 -0.006058 -0.016135 -0.005374 -0.006780 4C 1f+1 0.022117 -0.004681 -0.030296 -0.002634 -0.010076 -0.007491 4C 1f-1 -0.000997 -0.004329 0.017883 -0.004663 0.016743 0.024900 4C 1f+2 0.051207 0.006332 0.045494 0.057319 -0.004101 -0.014924 4C 1f-2 0.017595 0.004456 0.001818 -0.012975 0.009459 0.003318 4C 1f+3 -0.026642 -0.011425 0.001336 0.029724 0.013147 0.017893 4C 1f-3 0.007519 -0.004641 -0.018590 0.017150 -0.011574 -0.011486 5C 1s -0.002834 -0.000773 0.009788 -0.003145 0.005695 -0.002275 5C 2s -0.006958 -0.003504 0.031383 -0.009515 0.017665 -0.007382 5C 3s -0.089540 0.292167 -0.016435 -0.217351 0.184045 0.156684 5C 4s 0.682354 -1.755666 -0.998158 1.647724 -1.800319 -0.847414 5C 5s -0.142251 -0.562453 -0.101030 0.330484 -0.479049 -1.487389 5C 1pz -0.141787 -0.070123 0.021756 -0.054346 0.060408 -0.112128 5C 1px -0.080022 0.019467 -0.057922 0.100726 -0.071806 -0.031722 5C 1py -0.042943 0.125470 0.028561 -0.012428 0.053031 0.127101 5C 2pz 0.636563 0.222895 -0.354302 0.934050 -0.461964 0.443186 5C 2px 0.412551 -0.305776 0.062006 -1.675710 -0.329292 -0.033858 5C 2py 0.114968 -0.291583 0.492147 -0.700963 0.352602 -0.521956 5C 3pz 0.080301 -0.183561 -0.184169 0.853315 -0.506572 -1.397134 5C 3px -0.046928 0.009543 -0.027980 -0.236327 -0.532427 -0.962760 5C 3py -0.366364 0.241143 0.354976 -1.212773 1.353255 2.187165 5C 1dz2 0.003271 0.004099 -0.022428 -0.016837 -0.010419 0.014703 5C 1dxz -0.018986 -0.016045 0.001274 0.008380 0.026157 -0.007029 5C 1dyz 0.014638 0.018682 -0.011939 0.006061 0.009954 0.009460 5C 1dx2y2 0.021846 0.013979 -0.006275 0.008628 0.014671 0.031519 5C 1dxy -0.001352 0.018191 -0.024640 -0.013750 -0.009621 0.016505 5C 2dz2 -0.167682 0.281424 0.342565 -0.060227 0.525122 -0.056176 5C 2dxz 0.225839 -0.110720 0.114982 -0.502024 0.020794 -0.211341 5C 2dyz -0.010531 0.180197 -0.012349 -0.350411 0.013412 0.452841 5C 2dx2y2 0.272164 0.004063 0.021566 -0.147337 -0.219686 0.264278 5C 2dxy -0.167916 0.331143 -0.003222 0.512628 0.023616 0.264978 5C 1f0 0.015135 0.018467 0.007728 -0.028338 -0.011696 0.029177 5C 1f+1 -0.002508 0.015361 0.018707 0.012013 0.040444 0.019001 5C 1f-1 0.062120 0.000018 0.002798 -0.000338 -0.014868 0.011971 5C 1f+2 -0.017776 0.004702 0.009094 0.021870 0.016423 0.009879 5C 1f-2 0.035873 -0.010589 -0.011167 0.037397 -0.013472 0.003691 5C 1f+3 0.006404 0.012449 0.013087 0.013904 0.013320 0.003475 5C 1f-3 -0.004091 -0.017618 -0.030462 0.020575 -0.003309 -0.005512 6C 1s -0.002849 -0.001041 0.010047 0.002821 -0.005952 -0.004271 6C 2s -0.007061 -0.004326 0.032269 0.008412 -0.018576 -0.014103 6C 3s -0.076471 0.286850 -0.024895 0.229686 -0.199282 0.170560 6C 4s 0.613445 -1.694204 -0.992121 -1.685884 1.939995 -0.626344 6C 5s -0.163350 -0.548870 -0.092308 -0.342130 0.583569 -1.347268 6C 1pz 0.140897 0.071087 -0.021287 -0.053323 0.052770 0.105499 6C 1px 0.076173 -0.019847 0.060850 0.096489 -0.070817 0.031956 6C 1py 0.043920 -0.123090 -0.030855 -0.014166 0.060965 -0.104505 6C 2pz -0.625671 -0.246665 0.371912 0.925873 -0.448053 -0.432916 6C 2px -0.393732 0.322287 -0.122229 -1.657470 -0.352883 -0.200549 6C 2py -0.133727 0.313131 -0.499243 -0.681987 0.343419 0.555958 6C 3pz -0.062849 0.158518 0.214351 0.853211 -0.536167 1.255725 6C 3px 0.057343 -0.014981 0.014504 -0.238313 -0.560363 0.790132 6C 3py 0.341421 -0.197823 -0.384051 -1.210136 1.401803 -1.949979 6C 1dz2 0.004422 0.003953 -0.021527 0.017490 0.010010 0.015617 6C 1dxz -0.019448 -0.015901 0.000495 -0.008509 -0.024822 -0.008332 6C 1dyz 0.014242 0.018909 -0.012235 -0.005339 -0.009616 0.006541 6C 1dx2y2 0.021608 0.014330 -0.006557 -0.008517 -0.017188 0.027302 6C 1dxy -0.001478 0.018025 -0.024175 0.015000 0.008568 0.019176 6C 2dz2 -0.155100 0.268480 0.333761 0.059489 -0.524645 -0.157162 6C 2dxz 0.239454 -0.124541 0.121892 0.492014 -0.015020 -0.181295 6C 2dyz -0.010261 0.176317 -0.004756 0.355574 -0.037775 0.481032 6C 2dx2y2 0.264860 0.006434 0.031842 0.138233 0.230702 0.315230 6C 2dxy -0.166476 0.338923 -0.014776 -0.503229 -0.037640 0.195114 6C 1f0 -0.015354 -0.017548 -0.008993 -0.028110 -0.009891 -0.029391 6C 1f+1 0.002549 -0.014896 -0.017751 0.012163 0.042509 -0.010770 6C 1f-1 -0.062253 -0.000124 -0.003122 0.000399 -0.014355 -0.012487 6C 1f+2 0.018662 -0.005209 -0.008722 0.022014 0.016117 -0.004869 6C 1f-2 -0.035349 0.009654 0.011607 0.038219 -0.015328 -0.001305 6C 1f+3 -0.007204 -0.012388 -0.011788 0.014038 0.015358 -0.000616 6C 1f-3 0.004753 0.016887 0.030219 0.020130 -0.005344 0.005696 7C 1s -0.001355 -0.008178 -0.005374 -0.000153 0.012269 0.002884 7C 2s -0.002994 -0.026664 -0.016026 -0.002490 0.041118 0.009559 7C 3s 0.019182 0.193285 -0.242517 0.294859 -0.185290 -0.139627 7C 4s -0.046854 -0.345310 2.106514 -1.500971 -0.755775 0.621811 7C 5s -0.209472 -0.383369 0.425101 0.057470 -0.449022 1.314499 7C 1pz -0.002076 0.052233 -0.121208 -0.063142 0.067066 -0.115953 7C 1px -0.106741 0.044561 -0.044143 0.080461 0.147720 -0.020764 7C 1py 0.120050 0.070264 -0.019061 -0.033860 0.115008 -0.110745 7C 2pz 0.062436 -0.521731 -0.100447 1.014520 0.421937 0.548970 7C 2px 0.816191 -0.258947 0.428529 -1.889504 -0.706939 -0.056098 7C 2py -0.401074 -0.469718 -0.119414 0.001607 -0.108245 0.398864 7C 3pz -0.120347 -0.131265 -0.527666 0.827878 1.394926 -2.190045 7C 3px 0.134679 0.081802 0.292184 -0.555053 -0.072393 -0.482873 7C 3py 0.139519 0.000485 -0.159028 0.122557 1.027834 -1.549590 7C 1dz2 -0.006161 -0.030097 -0.013622 0.026764 -0.014277 0.031288 7C 1dxz -0.007773 -0.005144 0.012153 -0.018994 -0.000532 0.013536 7C 1dyz -0.008953 -0.035219 0.003571 0.003384 -0.012762 0.014489 7C 1dx2y2 0.018130 0.006554 -0.012218 -0.005950 0.000429 -0.003549 7C 1dxy -0.012397 -0.005162 0.004429 -0.014919 0.013599 0.000602 7C 2dz2 0.009204 -0.212691 0.208315 -0.257862 -0.002117 0.260269 7C 2dxz -0.324308 0.145220 0.096932 0.703298 0.015924 0.115398 7C 2dyz 0.042739 -0.210650 0.236153 -0.013733 -0.203200 0.506550 7C 2dx2y2 -0.207590 0.173970 0.127541 -0.284701 -0.097724 -0.255442 7C 2dxy -0.027894 0.160356 0.323309 0.274713 0.016218 -0.008699 7C 1f0 -0.035978 0.006307 0.005619 -0.016168 -0.006458 0.006589 7C 1f+1 -0.023117 0.004750 0.029745 -0.003486 -0.011342 0.010704 7C 1f-1 -0.000950 0.004637 -0.017761 -0.003967 0.018261 -0.024931 7C 1f+2 -0.049562 -0.007479 -0.043570 0.059478 -0.004947 0.010757 7C 1f-2 -0.018379 -0.004252 -0.002481 -0.013054 0.009395 -0.002872 7C 1f+3 0.026189 0.010807 -0.000472 0.029724 0.014699 -0.013513 7C 1f-3 -0.008158 0.004511 0.017636 0.016008 -0.012160 0.018749 8C 1s -0.002777 -0.005310 0.000865 -0.001689 0.003895 -0.011849 8C 2s -0.008373 -0.016374 0.003771 -0.005950 0.013880 -0.039911 8C 3s 0.075984 0.011346 -0.006854 0.041318 -0.102723 0.207068 8C 4s -0.142026 0.568302 -0.066153 -0.027441 0.086920 0.328135 8C 5s 0.720229 0.412884 -0.704559 -1.205023 1.229444 -0.413273 8C 1pz -0.182680 -0.014383 0.121414 0.088649 -0.098149 -0.169824 8C 1px -0.005887 -0.059356 -0.055088 -0.154854 0.003201 -0.040892 8C 1py -0.014170 0.124201 0.015128 0.038063 -0.136091 0.127473 8C 2pz 0.434535 -0.217948 -0.358018 -0.172593 0.240022 0.190950 8C 2px -0.104097 0.021758 0.178645 0.220605 -0.096252 -0.162412 8C 2py 0.064633 0.144792 -0.116976 -0.148723 0.325144 0.304782 8C 3pz -0.223375 -0.206342 0.146015 0.176807 -0.289662 -0.231706 8C 3px -0.088774 -0.007550 0.086582 0.066532 -0.154430 0.115596 8C 3py 0.036390 0.227378 -0.118524 -0.194142 0.098468 -0.058746 8C 1dz2 0.002845 0.010864 -0.002043 0.010322 0.006917 0.010139 8C 1dxz -0.037906 -0.006216 0.012981 -0.009838 -0.030133 -0.021013 8C 1dyz 0.010858 0.043733 0.003491 0.004884 -0.033034 0.034212 8C 1dx2y2 -0.007210 0.016658 -0.034684 -0.019069 0.001509 0.032801 8C 1dxy 0.022743 0.014649 -0.016608 0.014706 0.014117 0.035249 8C 2dz2 -0.112122 -0.027504 0.147476 0.053191 -0.117839 -0.215979 8C 2dxz 0.049515 0.042614 -0.015373 -0.048755 0.004407 0.061857 8C 2dyz 0.102142 -0.282125 -0.079839 -0.128762 0.182021 -0.151930 8C 2dx2y2 -0.005299 -0.105456 0.133229 0.097887 -0.129328 -0.186461 8C 2dxy -0.111743 -0.057077 0.139746 0.028045 -0.144461 -0.222973 8C 1f0 -0.001857 0.002416 0.047149 0.011213 -0.000839 -0.021266 8C 1f+1 -0.028211 0.008718 0.039344 0.009180 -0.027791 -0.019496 8C 1f-1 -0.020774 -0.020523 0.003327 -0.024768 0.006213 -0.024505 8C 1f+2 0.015574 0.065844 -0.019969 0.009386 -0.038876 0.096458 8C 1f-2 0.018224 0.034811 -0.038684 0.010795 0.001861 0.067980 8C 1f+3 0.009912 -0.005356 0.004870 0.005110 0.017326 -0.014964 8C 1f-3 0.031506 -0.018504 -0.026656 -0.012257 0.038854 0.006249 9C 1s -0.002379 -0.005121 0.003239 0.002281 -0.006531 0.012829 9C 2s -0.007068 -0.016566 0.009016 0.009234 -0.024888 0.043443 9C 3s 0.062731 0.023656 0.021956 -0.073722 0.207122 -0.248463 9C 4s -0.106963 0.476826 -0.513509 0.008515 -0.188051 -0.238248 9C 5s 0.335559 0.861607 0.247884 -1.009310 -0.999475 0.630488 9C 1pz -0.026245 -0.101253 0.069710 0.075997 -0.034787 0.162388 9C 1px 0.078234 0.038942 0.130936 -0.175084 -0.137227 -0.009735 9C 1py -0.121149 -0.083558 -0.046829 0.033906 -0.124453 0.153675 9C 2pz 0.049085 -0.128290 0.179155 -0.057479 0.045586 0.171314 9C 2px -0.179731 -0.260330 -0.270463 0.258901 0.367649 0.202905 9C 2py 0.216853 -0.026807 0.371680 -0.060070 0.265011 -0.049577 9C 3pz 0.008902 -0.277286 0.114281 0.197170 0.242610 -0.021220 9C 3px 0.031031 0.019255 -0.052307 -0.065794 0.123352 -0.264186 9C 3py -0.190052 -0.235558 -0.027999 0.192348 -0.017050 0.037089 9C 1dz2 0.000386 -0.028204 0.017471 0.020582 -0.016488 0.026409 9C 1dxz 0.015745 -0.028626 -0.031441 -0.013832 0.007824 0.018272 9C 1dyz -0.018472 -0.039382 0.022964 0.013267 -0.032159 0.050055 9C 1dx2y2 0.022910 0.015930 0.012625 -0.008142 -0.018552 -0.013977 9C 1dxy -0.008365 -0.014397 -0.003119 -0.009413 0.001454 0.010080 9C 2dz2 0.008033 0.139158 -0.058507 -0.059443 0.104443 -0.189533 9C 2dxz 0.001331 0.198652 0.186208 -0.093232 -0.143753 -0.144398 9C 2dyz -0.013032 0.195442 -0.263535 0.053598 0.068374 -0.217782 9C 2dx2y2 0.018325 -0.037142 0.043779 0.054513 0.085487 -0.001169 9C 2dxy 0.012389 0.136308 0.023457 -0.011361 -0.103846 -0.126542 9C 1f0 -0.033607 -0.025870 -0.020397 0.019580 0.008841 0.028199 9C 1f+1 0.003929 -0.008917 -0.014822 -0.008450 0.019893 0.000805 9C 1f-1 -0.000895 -0.018022 0.034876 0.012268 -0.034823 0.050819 9C 1f+2 0.008565 0.060818 0.007710 -0.015149 0.005936 -0.065751 9C 1f-2 -0.017443 -0.039058 0.034342 0.013099 -0.060767 0.060995 9C 1f+3 -0.003331 0.053999 0.006004 -0.021433 0.039374 -0.061922 9C 1f-3 -0.006887 -0.005005 -0.036768 -0.006932 0.051008 -0.014664 10H 1s 0.029065 0.140589 0.068405 -0.016571 -0.002084 -0.139419 10H 2s -0.178127 -0.337462 -0.075258 -0.080326 0.045110 0.354921 10H 3s 0.034092 0.124146 -0.010723 0.038840 -0.024387 -0.275953 10H 1pz -0.050997 0.023375 -0.103511 -0.061439 -0.051755 0.007546 10H 1px -0.031562 0.019835 -0.113255 -0.106073 -0.080341 -0.016374 10H 1py 0.016496 0.022339 -0.009509 -0.072107 -0.080521 -0.017215 11H 1s 0.070880 0.065661 -0.081345 0.077473 -0.133208 -0.103142 11H 2s -0.035874 -0.156080 0.187858 -0.151297 0.278701 0.217068 11H 3s -0.093734 -0.103861 -0.179726 -0.125788 -0.021680 0.191343 11H 1pz 0.121384 0.133028 0.095565 0.134645 0.056289 -0.107700 11H 1px -0.030350 -0.020489 -0.091649 -0.129405 -0.074817 -0.014802 11H 1py 0.084078 0.114434 0.062083 0.054526 -0.075269 -0.135231 12H 1s -0.042571 0.091996 -0.044221 0.073974 -0.139564 -0.113866 12H 2s 0.009176 -0.248123 0.043278 -0.141378 0.313674 0.340758 12H 3s -0.024783 -0.003482 -0.050511 -0.097157 -0.228810 -0.017464 12H 1pz -0.054996 0.115939 -0.064192 0.068563 0.064398 -0.031685 12H 1px -0.047726 -0.026394 -0.155494 -0.142972 -0.092031 -0.001046 12H 1py 0.021748 0.040895 0.033005 0.055142 0.052139 -0.003781 13H 1s 0.095796 0.041449 -0.137702 -0.046954 -0.090454 0.158505 13H 2s -0.229044 -0.156695 0.322354 0.044819 0.058117 -0.444450 13H 3s 0.044721 0.103189 -0.069826 -0.040873 -0.000942 0.288280 13H 1pz 0.050509 -0.006727 -0.021071 -0.004793 -0.081636 -0.022611 13H 1px -0.019584 0.065816 -0.002053 -0.123470 -0.003255 0.015538 13H 1py 0.090510 -0.122082 -0.051984 0.103303 -0.075939 -0.015065 14H 1s -0.044274 0.079551 -0.061226 0.041672 0.111547 0.150690 14H 2s -0.045780 -0.222729 0.123443 -0.021408 -0.181940 -0.410059 14H 3s -0.063045 0.045275 -0.017276 -0.086064 0.068083 0.065895 14H 1pz 0.059820 -0.039933 -0.100291 0.140682 -0.063908 0.004324 14H 1px -0.044187 0.038616 0.053853 -0.102326 0.021761 -0.008871 14H 1py 0.076930 -0.105326 0.003182 -0.010558 -0.133625 -0.060638 15H 1s 0.035494 0.113420 0.032353 -0.052106 0.076052 0.127472 15H 2s 0.036683 -0.253976 -0.067732 0.095504 -0.154007 -0.255693 15H 3s -0.181268 0.037236 0.184297 -0.188714 0.264229 -0.181800 15H 1pz 0.152917 0.009438 -0.137547 0.101144 -0.151293 0.112731 15H 1px 0.025617 0.047982 -0.003897 -0.098321 -0.053510 0.052853 15H 1py -0.151312 -0.035366 0.115287 -0.096627 0.091756 -0.120087 16H 1s -0.000924 0.171737 -0.119131 -0.066367 -0.006738 -0.017702 16H 2s 0.004675 -0.458239 0.293627 0.187169 0.034603 0.034879 16H 3s 0.022272 0.126234 -0.160741 -0.143755 -0.107002 -0.063908 16H 1pz -0.023357 -0.076502 0.182054 0.023276 0.071842 0.021694 16H 1px 0.005100 -0.199526 -0.050042 -0.014175 -0.129284 0.018017 16H 1py -0.001413 -0.288384 0.015271 0.075191 -0.077418 0.003023 17H 1s -0.011975 0.196997 -0.060193 -0.058161 -0.025611 -0.003787 17H 2s 0.016841 -0.502297 0.174001 0.099817 0.070080 0.025586 17H 3s -0.005397 0.189625 -0.008484 -0.114965 -0.080527 0.029619 17H 1pz -0.014534 0.177920 -0.033374 -0.060713 0.022310 0.006775 17H 1px 0.008999 0.001850 0.156794 0.013568 -0.063139 0.013347 17H 1py 0.008960 -0.264989 0.169074 0.048320 0.023911 0.030151 18H 1s -0.012139 0.194731 -0.060411 0.064501 0.027503 0.005696 18H 2s 0.019479 -0.497524 0.179707 -0.113075 -0.074654 -0.018428 18H 3s -0.005273 0.186569 -0.009276 0.119088 0.077434 0.058977 18H 1pz 0.013748 -0.181151 0.038680 -0.067079 0.022716 -0.005080 18H 1px -0.008576 -0.001398 -0.152779 0.015904 -0.053159 -0.021682 18H 1py -0.009285 0.261636 -0.167150 0.054981 0.033367 -0.019146 19H 1s -0.000471 0.169525 -0.118602 0.075025 0.013167 -0.005815 19H 2s 0.002260 -0.451799 0.291804 -0.208949 -0.054756 0.011193 19H 3s 0.023399 0.124903 -0.153881 0.151486 0.120918 -0.048073 19H 1pz 0.023533 0.070990 -0.180117 0.030301 0.081582 -0.014240 19H 1px -0.008372 0.195990 0.049825 -0.014501 -0.128304 0.017423 19H 1py 0.002902 0.288041 -0.015774 0.083849 -0.074947 0.026483 20H 1s 0.038254 0.110937 0.035263 0.052297 -0.080273 0.094735 20H 2s 0.031491 -0.248736 -0.075020 -0.098170 0.158301 -0.184669 20H 3s -0.171297 0.028104 0.186745 0.185561 -0.259628 -0.219099 20H 1pz -0.149970 -0.015677 0.136829 0.097266 -0.143748 -0.126103 20H 1px -0.023785 -0.047252 -0.000633 -0.099944 -0.048908 -0.067153 20H 1py 0.149186 0.039459 -0.117272 -0.094372 0.083982 0.128144 21H 1s -0.048873 0.081861 -0.061215 -0.035951 -0.118573 0.130440 21H 2s -0.036918 -0.225269 0.122652 0.012296 0.199423 -0.373708 21H 3s -0.065483 0.043895 -0.014791 0.088795 -0.072497 0.064402 21H 1pz -0.057549 0.034670 0.103529 0.138288 -0.061641 -0.011189 21H 1px 0.043316 -0.036251 -0.057564 -0.102842 0.021132 0.010274 21H 1py -0.075928 0.104322 -0.005052 -0.007894 -0.133291 0.040162 22H 1s 0.097025 0.042211 -0.134558 0.051547 0.083619 0.167549 22H 2s -0.231485 -0.159830 0.318314 -0.057638 -0.035785 -0.433865 22H 3s 0.047026 0.105166 -0.066085 0.046229 -0.008740 0.277608 22H 1pz -0.048946 0.004964 0.020088 -0.005004 -0.080819 0.006209 22H 1px 0.019381 -0.064104 -0.002776 -0.126017 -0.000827 -0.023203 22H 1py -0.087335 0.117069 0.054510 0.105441 -0.074252 0.000208 23H 1s -0.040800 0.093157 -0.045211 -0.067156 0.140929 -0.138166 23H 2s 0.006614 -0.249371 0.044601 0.130334 -0.318328 0.384739 23H 3s -0.014610 -0.006726 -0.043569 0.099523 0.236526 -0.012324 23H 1pz 0.054443 -0.118156 0.063222 0.063041 0.074283 0.055147 23H 1px 0.046827 0.027340 0.146952 -0.147450 -0.098217 0.011992 23H 1py -0.020394 -0.042022 -0.026960 0.053612 0.054885 0.000644 24H 1s 0.070049 0.069086 -0.077976 -0.075020 0.136009 -0.122442 24H 2s -0.032694 -0.163703 0.180711 0.144032 -0.281155 0.257327 24H 3s -0.087372 -0.101965 -0.166306 0.126419 0.024090 0.153882 24H 1pz -0.119665 -0.133811 -0.087155 0.134782 0.060871 0.097589 24H 1px 0.029950 0.023209 0.087064 -0.132067 -0.080803 0.017918 24H 1py -0.083528 -0.114664 -0.053892 0.052441 -0.080325 0.116193 25H 1s 0.026978 0.140096 0.065281 0.018885 -0.003959 -0.138108 25H 2s -0.174013 -0.340538 -0.068794 0.072580 -0.034119 0.378958 25H 3s 0.033359 0.126789 -0.012813 -0.034121 0.029512 -0.285675 25H 1pz 0.050901 -0.022275 0.097845 -0.065897 -0.052660 0.003637 25H 1px 0.030673 -0.018814 0.107828 -0.110364 -0.084028 0.027401 25H 1py -0.018104 -0.021388 0.010977 -0.072831 -0.086596 0.008869 26O 1s -0.000689 0.006581 0.000351 -0.002898 -0.003126 -0.008438 26O 2s -0.000621 0.017495 0.001702 -0.006070 -0.005502 -0.022500 26O 3s -0.029829 -0.028634 -0.013371 -0.030461 -0.042832 0.035218 26O 4s 0.194895 -0.352216 0.112026 0.353514 0.445473 0.606195 26O 5s 0.442986 0.168182 -1.035115 0.651221 -0.966232 -1.750530 26O 1pz 0.033328 -0.023040 -0.032450 0.031760 -0.075711 -0.072520 26O 1px 0.002246 0.023146 0.091794 -0.030083 0.091366 0.036838 26O 1py -0.015355 0.005555 0.004032 0.018401 0.016696 -0.017291 26O 2pz -0.029815 -0.006201 0.038919 0.010994 0.087957 0.048609 26O 2px -0.145389 0.154897 0.051772 -0.201480 -0.155906 -0.143863 26O 2py -0.042610 0.059925 0.058826 -0.076647 -0.036538 -0.041292 26O 3pz 0.148596 0.198581 -0.431732 -0.315394 -0.409414 -0.831161 26O 3px -0.025367 -0.001791 0.283188 -0.518513 0.317958 0.147783 26O 3py -0.391887 0.131455 -0.254124 -0.330974 -0.020927 -0.432644 26O 1dz2 0.002657 0.000049 -0.001584 -0.001697 -0.003612 0.001441 26O 1dxz -0.000195 -0.000485 -0.002916 -0.000733 -0.001335 -0.000047 26O 1dyz -0.001232 0.001096 -0.002387 -0.003567 -0.002821 -0.000074 26O 1dx2y2 -0.003429 0.002379 0.000939 0.000470 -0.001075 -0.000947 26O 1dxy 0.003514 0.002347 -0.001915 -0.000568 -0.002183 -0.000984 26O 2dz2 -0.022871 0.139278 -0.026016 -0.216068 0.065373 -0.080942 26O 2dxz -0.126918 -0.015603 0.109265 0.035859 0.144571 0.148170 26O 2dyz -0.114282 0.166887 -0.029264 -0.158462 -0.004222 -0.222641 26O 2dx2y2 -0.210526 -0.062974 -0.253191 0.115371 -0.178483 -0.014546 26O 2dxy 0.317059 -0.050522 -0.088255 0.073111 -0.164686 0.002225 26O 1f0 0.003967 0.000756 -0.000514 -0.002173 0.003725 -0.001762 26O 1f+1 0.001552 -0.004193 -0.000905 0.004421 0.009852 0.003213 26O 1f-1 -0.000263 -0.001080 -0.001974 -0.000754 0.003332 0.000617 26O 1f+2 0.000775 -0.002834 0.000219 0.000822 0.000132 0.003724 26O 1f-2 -0.001137 0.000733 0.005405 0.001132 -0.003901 -0.002157 26O 1f+3 0.001488 -0.003146 0.002289 0.004092 0.000797 0.001702 26O 1f-3 0.005014 -0.004788 0.000197 0.006301 0.009799 0.002601 27O 1s 0.005506 0.001870 -0.001572 -0.004051 -0.002329 0.007146 27O 2s 0.014428 0.005422 -0.005454 -0.007992 -0.007091 0.019254 27O 3s -0.019828 -0.029524 0.028794 -0.047360 0.016630 -0.037136 27O 4s -0.277042 -0.047808 -0.064022 0.539421 0.069766 -0.527768 27O 5s -0.350756 1.388073 0.607787 -0.056726 1.469172 2.327958 27O 1pz -0.026021 0.019086 0.021610 0.013414 0.009820 0.060157 27O 1px 0.031934 -0.047109 -0.068792 0.025244 -0.095909 -0.045736 27O 1py -0.008890 -0.022070 -0.016840 0.014893 -0.014841 -0.078936 27O 2pz -0.008536 -0.013129 -0.020529 0.058217 -0.013953 -0.045099 27O 2px 0.189520 -0.156476 -0.015927 -0.246803 -0.132214 0.049758 27O 2py -0.008160 0.073690 0.024957 -0.026447 0.079718 0.062070 27O 3pz -0.313927 0.327072 0.045437 -0.226957 0.190993 0.612372 27O 3px 0.108742 -0.404676 -0.454371 -0.293601 -0.966702 -0.298558 27O 3py -0.135168 -0.359312 -0.004814 0.403992 0.208884 -0.738457 27O 1dz2 -0.002632 -0.001758 -0.001949 0.001091 0.000729 0.000628 27O 1dxz 0.002304 0.003086 -0.000133 -0.001233 -0.002888 0.000298 27O 1dyz -0.000243 -0.002784 -0.000083 0.004447 -0.002102 -0.001053 27O 1dx2y2 0.002496 -0.003378 0.000929 0.002040 0.001070 0.000978 27O 1dxy 0.002808 -0.002835 0.001535 0.001489 0.001365 -0.001056 27O 2dz2 -0.020626 -0.159414 -0.241402 0.042213 -0.233207 -0.038671 27O 2dxz 0.351667 -0.048158 -0.044121 -0.016315 -0.199390 -0.099944 27O 2dyz -0.113512 -0.145306 -0.022698 0.212017 0.043894 -0.265506 27O 2dx2y2 -0.030067 0.065549 0.207929 0.098263 0.270851 0.024940 27O 2dxy 0.110669 0.011973 0.082354 -0.060583 -0.017598 0.000282 27O 1f0 -0.000138 0.001558 -0.000330 -0.001220 -0.000680 0.000725 27O 1f+1 -0.003686 0.002298 -0.003587 0.007828 -0.004525 0.000390 27O 1f-1 0.004589 -0.003208 0.000880 0.000050 0.001447 -0.000195 27O 1f+2 -0.002560 -0.000987 0.001327 0.003636 0.004665 -0.000983 27O 1f-2 -0.001889 0.002389 0.001344 -0.000247 0.000826 -0.002206 27O 1f+3 -0.006598 0.000797 0.002314 0.007539 0.004999 -0.002563 27O 1f-3 0.002369 -0.004862 0.002041 -0.002618 -0.001339 -0.002377 28O 1s 0.005174 0.004039 -0.000082 0.008105 0.000115 -0.007029 28O 2s 0.012714 0.011689 0.000078 0.018380 0.000052 -0.018825 28O 3s -0.003387 -0.047394 0.001397 0.048104 0.003881 0.034453 28O 4s -0.314931 -0.012744 0.168539 -0.741261 0.120033 0.458266 28O 5s -0.181974 0.364602 -1.736037 -1.878784 -1.799848 -1.706094 28O 1pz 0.008408 0.016488 0.029742 0.057178 0.039283 -0.041912 28O 1px -0.008502 -0.008588 -0.090104 -0.045290 -0.083728 -0.057159 28O 1py 0.005451 0.006142 0.009096 0.012944 -0.046228 -0.066667 28O 2pz 0.082739 -0.034848 0.093460 0.305974 0.111821 -0.005495 28O 2px -0.160982 0.051910 -0.029743 -0.421064 -0.050125 0.072635 28O 2py 0.021455 -0.006326 0.041306 0.033449 0.086821 0.029595 28O 3pz 0.290946 0.334111 0.355952 1.126513 0.251839 -0.703848 28O 3px -0.021559 0.037043 -0.824148 -0.982120 -0.632107 -0.415941 28O 3py -0.054445 0.262837 0.026039 0.343385 -0.240481 -0.673729 28O 1dz2 0.003267 0.004090 0.002304 0.006428 0.001645 -0.002089 28O 1dxz 0.001396 -0.000344 0.001641 -0.000636 -0.000151 0.000851 28O 1dyz 0.001083 0.005290 0.001393 0.005370 0.001777 -0.001957 28O 1dx2y2 0.004978 -0.004001 -0.001580 -0.000940 0.001611 0.001429 28O 1dxy -0.002426 -0.000175 0.000070 -0.000069 0.002002 -0.000182 28O 2dz2 0.038101 0.017803 0.021453 0.029884 -0.001399 0.012128 28O 2dxz 0.184391 0.099264 0.232816 0.387551 0.236188 -0.078986 28O 2dyz 0.129185 0.083834 -0.153307 0.098663 0.009370 -0.129532 28O 2dx2y2 0.128139 -0.100344 -0.284382 -0.212710 -0.148270 -0.035218 28O 2dxy -0.122324 0.082578 -0.001571 0.120243 -0.013391 -0.234805 28O 1f0 -0.001569 -0.000995 -0.001343 -0.010537 -0.002188 0.001529 28O 1f+1 -0.002416 0.003335 -0.003009 -0.007869 -0.004838 -0.001244 28O 1f-1 0.003749 -0.000093 0.001372 0.003347 0.004793 -0.000905 28O 1f+2 0.008132 0.001680 0.004617 0.016234 0.002632 -0.003448 28O 1f-2 -0.002131 0.002606 -0.000846 -0.001433 -0.002665 0.000385 28O 1f+3 0.004351 0.001429 0.000891 0.009779 0.000648 -0.001946 28O 1f-3 -0.002264 0.000178 -0.001241 -0.001061 -0.000393 -0.000537 29O 1s -0.000433 0.002719 -0.001263 0.000467 0.001653 -0.000097 29O 2s -0.001272 0.013788 -0.006404 0.000147 0.004217 -0.000523 29O 3s 0.003233 -0.212920 0.098250 0.033538 0.003258 0.008914 29O 4s 0.011512 0.767407 -0.355001 -0.140039 -0.103288 -0.023980 29O 5s -0.023984 -0.360195 0.163760 -0.193234 0.062331 -0.041504 29O 1pz 0.002686 -0.009251 -0.012323 -0.014670 0.005632 0.007017 29O 1px -0.000012 0.047446 -0.024504 0.036253 0.015408 0.005518 29O 1py -0.005376 0.151409 -0.063388 -0.008208 -0.000761 -0.006099 29O 2pz -0.022159 -0.026849 0.145307 0.030297 -0.006089 0.010551 29O 2px -0.003542 0.143259 -0.012859 -0.053156 -0.023706 -0.010492 29O 2py 0.004954 -0.337858 0.141826 0.071635 0.032259 0.014388 29O 3pz 0.028128 -0.097190 -0.034091 0.004146 -0.014607 -0.051597 29O 3px 0.010677 0.207772 -0.109622 0.059702 0.075666 -0.004837 29O 3py -0.020581 0.213193 -0.052833 -0.083701 0.026648 -0.004943 29O 1dz2 -0.001130 -0.001768 0.000937 -0.000020 0.001366 0.000020 29O 1dxz 0.000082 -0.001796 -0.000220 -0.001805 0.000446 -0.000280 29O 1dyz -0.000243 0.000975 0.002154 -0.001057 0.001603 -0.000195 29O 1dx2y2 0.001147 -0.000449 -0.000500 0.002293 0.000517 0.000282 29O 1dxy 0.000608 0.001478 0.000912 0.000463 -0.002221 -0.000477 29O 2dz2 -0.002972 0.095661 0.081472 -0.015223 0.027258 0.001183 29O 2dxz 0.017117 -0.141785 -0.156701 -0.017353 -0.140227 -0.002155 29O 2dyz -0.009791 -0.049914 -0.143213 -0.019157 -0.033474 -0.014705 29O 2dx2y2 -0.016154 0.213920 -0.162017 -0.019846 0.095498 -0.029303 29O 2dxy 0.025444 -0.097747 -0.001843 0.009095 -0.104454 -0.006243 29O 1f0 -0.000843 -0.020472 0.012863 0.007023 0.004817 0.002033 29O 1f+1 -0.000778 0.007674 -0.001862 -0.002657 -0.001911 -0.000323 29O 1f-1 -0.001024 -0.029013 0.019264 0.009130 0.002051 0.003051 29O 1f+2 0.000496 0.005954 -0.004377 -0.003452 -0.002801 -0.000359 29O 1f-2 0.001017 -0.022808 0.000903 0.005109 0.004057 -0.000879 29O 1f+3 -0.001030 0.008019 -0.000667 -0.002883 -0.001637 0.000068 29O 1f-3 -0.001456 0.010611 -0.000820 -0.002403 0.000384 0.000939 30O 1s 0.000569 0.005229 -0.005306 0.007447 -0.001256 0.009273 30O 2s 0.002066 0.013742 -0.014401 0.017470 -0.003499 0.024496 30O 3s -0.020956 -0.024081 0.032746 0.028793 0.015015 -0.041347 30O 4s 0.147966 -0.346568 0.102086 -0.548131 -0.132936 -0.606723 30O 5s -0.287621 0.965165 0.712252 -2.406912 1.425418 2.084847 30O 1pz 0.031002 -0.034664 -0.039725 0.047041 -0.058584 0.023761 30O 1px -0.009130 0.041837 0.062987 -0.090067 0.053204 0.093925 30O 1py -0.030376 0.022607 0.013131 -0.027012 -0.006059 -0.051771 30O 2pz 0.002788 0.036641 -0.059007 0.232665 -0.057955 0.020070 30O 2px 0.058404 -0.097019 0.075435 -0.329605 0.018104 -0.127321 30O 2py 0.033290 -0.018960 0.084116 -0.262688 0.103410 0.011156 30O 3pz -0.037601 -0.014768 -0.335745 0.772761 -0.194197 0.452724 30O 3px -0.189708 0.415787 0.163239 -1.046039 0.525647 0.772585 30O 3py -0.225917 -0.203435 0.066615 -0.879348 -0.049405 -0.773996 30O 1dz2 -0.001693 -0.000388 0.001377 -0.000940 0.004509 -0.000489 30O 1dxz -0.003102 -0.001909 -0.002094 -0.000404 0.001063 0.000640 30O 1dyz -0.001027 -0.002584 0.003613 -0.005851 -0.000753 -0.003518 30O 1dx2y2 -0.006510 0.000612 -0.000283 -0.002735 -0.000203 -0.001593 30O 1dxy -0.003344 0.002075 0.000349 -0.000213 -0.001547 0.000494 30O 2dz2 0.072622 -0.103370 0.031772 0.064228 0.067127 -0.182425 30O 2dxz -0.115207 -0.077274 -0.318852 0.343039 -0.156006 0.083621 30O 2dyz 0.085599 -0.170248 -0.018352 0.070111 -0.193532 -0.183691 30O 2dx2y2 -0.103584 0.057298 0.068265 -0.148396 0.066602 0.118680 30O 2dxy -0.136979 -0.083038 0.088528 -0.342221 -0.035233 -0.154061 30O 1f0 0.000741 -0.003842 0.004009 -0.010506 0.002162 -0.002866 30O 1f+1 -0.002596 0.000148 0.000264 -0.000183 0.000984 -0.000102 30O 1f-1 0.001220 0.000194 0.000786 -0.000440 0.002765 -0.000699 30O 1f+2 0.001510 0.002518 0.001301 0.002946 0.003214 0.002075 30O 1f-2 0.002300 0.000923 -0.006843 0.013133 -0.006472 0.004135 30O 1f+3 0.001617 0.003326 0.000899 0.000265 0.001477 0.002760 30O 1f-3 0.000382 0.001600 -0.003532 0.011327 -0.001417 0.002541 31O 1s 0.000486 0.005443 -0.005359 -0.007149 0.000853 0.008577 31O 2s 0.001835 0.014273 -0.014501 -0.016668 0.002444 0.023146 31O 3s -0.020626 -0.024168 0.031836 -0.030485 -0.012720 -0.050553 31O 4s 0.151600 -0.357012 0.107384 0.534873 0.158515 -0.492103 31O 5s -0.257205 0.908587 0.775963 2.418510 -1.540137 1.917834 31O 1pz -0.028730 0.032085 0.040756 0.047508 -0.058076 -0.030607 31O 1px 0.008216 -0.039112 -0.066323 -0.089177 0.058903 -0.079440 31O 1py 0.030155 -0.021368 -0.013503 -0.027574 -0.007125 0.049353 31O 2pz -0.001628 -0.040856 0.062516 0.230280 -0.058680 -0.006942 31O 2px -0.060555 0.102669 -0.079820 -0.324440 0.012693 0.084000 31O 2py -0.036512 0.024536 -0.089015 -0.260012 0.105960 -0.012727 31O 3pz 0.049480 -0.006678 0.351467 0.765572 -0.190161 -0.446873 31O 3px 0.173755 -0.390258 -0.189293 -1.056427 0.572360 -0.714220 31O 3py 0.208488 0.225212 -0.086621 -0.876772 -0.058347 0.689228 31O 1dz2 -0.001807 -0.000440 0.001366 0.000891 -0.004438 -0.000611 31O 1dxz -0.003116 -0.001882 -0.002078 0.000448 -0.001095 0.000846 31O 1dyz -0.000960 -0.002715 0.003829 0.005716 0.000975 -0.002962 31O 1dx2y2 -0.006456 0.000461 -0.000231 0.002819 0.000188 -0.001062 31O 1dxy -0.003400 0.002106 0.000400 0.000269 0.001443 0.000909 31O 2dz2 0.068796 -0.102547 0.029669 -0.067398 -0.056118 -0.181175 31O 2dxz -0.123091 -0.064345 -0.327488 -0.334408 0.154903 0.119284 31O 2dyz 0.084866 -0.166356 -0.017208 -0.075722 0.210364 -0.157844 31O 2dx2y2 -0.102016 0.052530 0.072109 0.148301 -0.071990 0.109246 31O 2dxy -0.135005 -0.090273 0.100625 0.339449 0.030256 -0.127576 31O 1f0 -0.000744 0.003987 -0.004166 -0.010296 0.002049 0.002049 31O 1f+1 0.002673 -0.000162 -0.000200 -0.000262 0.000960 -0.000145 31O 1f-1 -0.001124 -0.000157 -0.000675 -0.000372 0.002683 0.000448 31O 1f+2 -0.001512 -0.002503 -0.001191 0.003014 0.003246 -0.000782 31O 1f-2 -0.002225 -0.001137 0.006965 0.012974 -0.006279 -0.003186 31O 1f+3 -0.001589 -0.003364 -0.000852 0.000227 0.001643 -0.002565 31O 1f-3 -0.000192 -0.001870 0.003677 0.011141 -0.001269 -0.001506 32O 1s -0.000432 0.002726 -0.001352 -0.000343 -0.001560 -0.000103 32O 2s -0.001260 0.013763 -0.006672 0.000470 -0.003860 -0.000285 32O 3s 0.002964 -0.211551 0.099360 -0.042699 -0.006841 0.000147 32O 4s 0.012463 0.761310 -0.355504 0.173483 0.110383 0.006357 32O 5s -0.024404 -0.360623 0.168273 0.171145 -0.046036 -0.006279 32O 1pz -0.003412 0.012675 0.010849 -0.014493 0.004524 -0.008519 32O 1px 0.000388 -0.047000 0.025407 0.034849 0.015383 -0.006786 32O 1py 0.005480 -0.150799 0.063409 -0.013766 -0.003603 -0.000484 32O 2pz 0.023715 0.018372 -0.139373 0.035299 0.002443 0.002144 32O 2px 0.003152 -0.144253 0.014668 -0.057338 -0.024431 0.002754 32O 2py -0.004114 0.334296 -0.144592 0.084865 0.037714 0.003497 32O 3pz -0.028381 0.098636 0.031832 0.009285 -0.020378 0.026263 32O 3px -0.008440 -0.205870 0.112429 0.052583 0.078190 0.002524 32O 3py 0.018818 -0.210958 0.049250 -0.089265 0.025035 -0.003104 32O 1dz2 -0.001159 -0.001872 0.000624 -0.000124 -0.001310 0.000015 32O 1dxz 0.000078 -0.001905 -0.000159 0.001728 -0.000292 -0.000420 32O 1dyz -0.000251 0.000820 0.002172 0.000969 -0.001733 -0.000316 32O 1dx2y2 0.001179 -0.000514 -0.000723 -0.002248 -0.000581 -0.000048 32O 1dxy 0.000620 0.001455 0.000873 -0.000413 0.002096 -0.000434 32O 2dz2 -0.002437 0.094728 0.085429 0.013981 -0.029924 0.019940 32O 2dxz 0.017691 -0.137242 -0.154166 0.018925 0.141769 -0.032550 32O 2dyz -0.009336 -0.041509 -0.142752 0.022662 0.040085 -0.039594 32O 2dx2y2 -0.016022 0.216912 -0.156656 0.025561 -0.085863 -0.018290 32O 2dxy 0.026680 -0.095802 -0.004834 -0.008201 0.106386 -0.018209 32O 1f0 0.000821 0.018511 -0.011758 0.007345 0.005136 -0.000641 32O 1f+1 0.000770 -0.008852 0.002359 -0.003359 -0.002146 -0.000072 32O 1f-1 0.001106 0.029655 -0.019596 0.010822 0.003202 -0.000757 32O 1f+2 -0.000531 -0.007417 0.004936 -0.004327 -0.003115 -0.000046 32O 1f-2 -0.001055 0.022242 -0.000811 0.005455 0.003752 0.001792 32O 1f+3 0.000988 -0.007158 0.000562 -0.002884 -0.001525 -0.000503 32O 1f-3 0.001481 -0.010355 0.000780 -0.002505 0.000469 -0.001317 33O 1s 0.005033 0.004225 -0.000401 -0.007984 -0.000120 -0.007678 33O 2s 0.012447 0.012100 -0.000690 -0.018046 -0.000084 -0.020154 33O 3s -0.005407 -0.046161 0.000751 -0.049376 -0.002898 0.029975 33O 4s -0.299256 -0.031800 0.185799 0.732385 -0.134730 0.537230 33O 5s -0.120112 0.351301 -1.609774 1.960768 1.849918 -1.886261 33O 1pz -0.006603 -0.017188 -0.026791 0.057290 0.041792 0.044645 33O 1px 0.008087 0.008626 0.084750 -0.048821 -0.086950 0.069813 33O 1py -0.005983 -0.006771 -0.007976 0.013569 -0.047366 0.063751 33O 2pz -0.073556 0.029139 -0.079381 0.309458 0.109427 -0.003305 33O 2px 0.149085 -0.043177 0.015751 -0.422831 -0.045827 -0.095481 33O 2py -0.019008 0.006410 -0.038376 0.035706 0.087133 -0.038461 33O 3pz -0.270412 -0.351243 -0.311961 1.131536 0.251239 0.746392 33O 3px -0.004715 -0.026857 0.764224 -1.017881 -0.645062 0.485728 33O 3py 0.057438 -0.270894 -0.019052 0.336906 -0.250430 0.699255 33O 1dz2 0.003148 0.004132 0.001950 -0.006444 -0.001774 -0.002380 33O 1dxz 0.001467 -0.000349 0.001725 0.000558 -0.000055 0.001019 33O 1dyz 0.001114 0.005408 0.001308 -0.005292 -0.002156 -0.003180 33O 1dx2y2 0.004871 -0.004032 -0.001621 0.000899 -0.001435 0.001547 33O 1dxy -0.002455 -0.000208 -0.000048 0.000123 -0.002034 -0.000212 33O 2dz2 0.039533 0.017749 0.018337 -0.032436 0.001854 0.022278 33O 2dxz 0.178599 0.105645 0.214432 -0.395067 -0.245318 -0.070392 33O 2dyz 0.134596 0.086334 -0.149358 -0.088824 -0.009924 -0.171572 33O 2dx2y2 0.130080 -0.101415 -0.267835 0.219101 0.155561 -0.061137 33O 2dxy -0.122286 0.083890 -0.010748 -0.116421 0.019564 -0.239987 33O 1f0 0.001255 0.001124 0.000908 -0.010519 -0.002262 -0.002015 33O 1f+1 0.001983 -0.003186 0.002576 -0.007947 -0.005047 0.001399 33O 1f-1 -0.003591 -0.000013 -0.001113 0.003398 0.004760 0.000246 33O 1f+2 -0.007624 -0.001961 -0.004002 0.016343 0.002575 0.004110 33O 1f-2 0.001867 -0.002556 0.000758 -0.001560 -0.002611 -0.000331 33O 1f+3 -0.004116 -0.001657 -0.000695 0.009837 0.000682 0.002532 33O 1f-3 0.002194 -0.000117 0.001321 -0.001212 -0.000459 0.000684 34O 1s 0.005419 0.001864 -0.001342 0.004055 0.002153 0.007607 34O 2s 0.014254 0.005442 -0.004931 0.008059 0.006603 0.020443 34O 3s -0.020753 -0.030202 0.030204 0.045880 -0.014482 -0.035762 34O 4s -0.270027 -0.042157 -0.087323 -0.532901 -0.058599 -0.553685 34O 5s -0.300141 1.354866 0.586809 0.084948 -1.611949 1.877933 34O 1pz 0.027071 -0.019314 -0.022274 0.013067 0.013532 -0.045462 34O 1px -0.030265 0.045116 0.069244 0.024127 -0.098622 0.023055 34O 1py 0.009126 0.021864 0.017394 0.014731 -0.019050 0.073080 34O 2pz 0.008719 0.011803 0.023032 0.058174 -0.016691 0.036175 34O 2px -0.180581 0.156139 0.002652 -0.238787 -0.141180 -0.097353 34O 2py 0.005719 -0.071844 -0.023655 -0.028184 0.086464 -0.044678 34O 3pz 0.309613 -0.320634 -0.057435 -0.239315 0.218158 -0.569059 34O 3px -0.085628 0.390622 0.423614 -0.288615 -1.016676 0.052291 34O 3py 0.134735 0.353392 0.025287 0.408669 0.196606 0.762477 34O 1dz2 -0.002548 -0.001782 -0.001938 -0.000997 -0.000814 0.000447 34O 1dxz 0.002396 0.003005 -0.000016 0.001246 0.002875 0.000247 34O 1dyz -0.000244 -0.002633 -0.000130 -0.004569 0.002337 -0.001005 34O 1dx2y2 0.002444 -0.003313 0.000895 -0.002222 -0.001039 0.000929 34O 1dxy 0.002903 -0.002850 0.001460 -0.001635 -0.001274 -0.001422 34O 2dz2 -0.024531 -0.153435 -0.237422 -0.037821 0.237140 0.017590 34O 2dxz 0.357661 -0.049618 -0.043710 0.010680 0.206298 -0.074260 34O 2dyz -0.117796 -0.139750 -0.027008 -0.213952 -0.030690 -0.280565 34O 2dx2y2 -0.024670 0.062925 0.202756 -0.102795 -0.282543 -0.051549 34O 2dxy 0.111633 0.010738 0.085544 0.056095 0.026598 -0.001193 34O 1f0 0.000141 -0.001534 0.000318 -0.001271 -0.000597 -0.001045 34O 1f+1 0.003436 -0.002437 0.003952 0.007552 -0.004177 -0.000721 34O 1f-1 -0.004456 0.003203 -0.000894 0.000173 0.001461 0.000271 34O 1f+2 0.002540 0.001007 -0.001089 0.003630 0.004755 0.001997 34O 1f-2 0.001817 -0.002305 -0.001357 -0.000339 0.000896 0.002679 34O 1f+3 0.006285 -0.000792 -0.001904 0.007454 0.005000 0.003791 34O 1f-3 -0.002075 0.004772 -0.002237 -0.002395 -0.001548 0.001714 35O 1s -0.000772 0.006511 0.000388 0.003054 0.003187 -0.007669 35O 2s -0.000856 0.017336 0.001711 0.006472 0.005634 -0.020522 35O 3s -0.029541 -0.029018 -0.011649 0.029731 0.043378 0.035402 35O 4s 0.199098 -0.346395 0.099161 -0.365491 -0.454899 0.564832 35O 5s 0.464029 0.196325 -0.995464 -0.592416 0.996572 -2.118813 35O 1pz -0.032369 0.021561 0.031765 0.031321 -0.078943 0.084158 35O 1px -0.001514 -0.021513 -0.088495 -0.026862 0.095499 -0.052614 35O 1py 0.016574 -0.005151 -0.001162 0.017503 0.017636 0.017968 35O 2pz 0.031108 0.006965 -0.035651 0.013157 0.089049 -0.062815 35O 2px 0.148672 -0.149975 -0.055594 -0.201445 -0.157465 0.092573 35O 2py 0.043816 -0.057788 -0.059546 -0.074564 -0.037206 0.013098 35O 3pz -0.145247 -0.197875 0.417938 -0.334925 -0.445256 0.835168 35O 3px 0.044697 0.015583 -0.267331 -0.498148 0.311250 -0.349203 35O 3py 0.406496 -0.125514 0.254814 -0.348579 -0.043881 0.386855 35O 1dz2 0.002713 0.000015 -0.001505 0.001724 0.003524 0.001472 35O 1dxz -0.000296 -0.000515 -0.003011 0.000831 0.001415 -0.000218 35O 1dyz -0.001204 0.000990 -0.002271 0.003732 0.002919 -0.000586 35O 1dx2y2 -0.003320 0.002326 0.000923 -0.000442 0.000973 -0.000686 35O 1dxy 0.003508 0.002316 -0.001868 0.000602 0.002292 -0.000850 35O 2dz2 -0.021958 0.133805 -0.022946 0.218883 -0.070856 -0.056200 35O 2dxz -0.128733 -0.017478 0.103040 -0.036511 -0.158897 0.153092 35O 2dyz -0.113434 0.161977 -0.028401 0.167251 0.007387 -0.222514 35O 2dx2y2 -0.204589 -0.060669 -0.246868 -0.103107 0.182336 -0.078052 35O 2dxy 0.320866 -0.045807 -0.077883 -0.075342 0.165615 -0.025946 35O 1f0 -0.003986 -0.000751 0.000442 -0.002235 0.003667 0.002338 35O 1f+1 -0.001653 0.004070 0.000887 0.004453 0.010121 -0.001683 35O 1f-1 0.000268 0.001021 0.001957 -0.000797 0.003434 -0.000367 35O 1f+2 -0.000754 0.002800 -0.000282 0.000927 0.000151 -0.003325 35O 1f-2 0.001100 -0.000726 -0.005307 0.001336 -0.003931 0.001007 35O 1f+3 -0.001556 0.003049 -0.002303 0.004203 0.000847 -0.001413 35O 1f-3 -0.005110 0.004663 0.000200 0.006363 0.009841 -0.001604 384 385 386 387 388 389 2.07496 2.08151 2.09641 2.10429 2.11088 2.11444 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s 0.003074 0.002666 0.001049 0.000823 0.000621 -0.002998 0Rh 2s -0.014557 -0.011709 -0.005609 -0.003602 -0.002503 0.014090 0Rh 3s 0.009198 0.008539 0.002753 0.002644 0.002127 -0.009038 0Rh 4s 0.072681 0.058106 0.028240 0.017812 0.012422 -0.070081 0Rh 5s -0.098290 -0.068690 -0.044240 -0.019763 -0.013195 0.088176 0Rh 6s -0.065765 -0.100379 0.003236 -0.040154 -0.027738 0.105465 0Rh 7s 0.417188 0.392793 -0.112942 0.171935 0.212893 -0.459368 0Rh 8s 0.503060 -0.314884 0.192998 -0.189043 -0.025473 0.741571 0Rh 1pz -0.013912 -0.002201 -0.001733 0.008290 0.006772 0.000740 0Rh 1px 0.002310 0.003583 0.004220 0.000134 0.002594 0.000383 0Rh 1py -0.003224 0.002921 -0.007755 0.000021 -0.007279 0.005188 0Rh 2pz 0.048695 0.007981 0.005482 -0.029190 -0.023518 -0.002633 0Rh 2px -0.008443 -0.013358 -0.014537 -0.000668 -0.009370 -0.000478 0Rh 2py 0.010909 -0.010445 0.027338 -0.000030 0.024900 -0.018037 0Rh 3pz -0.027293 -0.009977 0.008113 0.020382 0.009158 0.003028 0Rh 3px 0.013046 0.025742 0.003124 0.004971 0.011085 -0.018396 0Rh 3py 0.001081 0.010654 -0.018833 -0.001270 -0.002431 0.007368 0Rh 4pz -0.216590 -0.014928 -0.064066 0.110122 0.120375 0.001060 0Rh 4px -0.000711 -0.021221 0.085540 -0.018933 0.017903 0.082073 0Rh 4py -0.072897 0.025446 -0.109184 0.008279 -0.152855 0.091602 0Rh 5pz 0.391434 0.023084 0.104848 -0.197532 -0.214154 0.015021 0Rh 5px 0.007148 0.075875 -0.158750 0.053270 -0.029278 -0.194607 0Rh 5py 0.115974 -0.038596 0.198444 -0.019074 0.265592 -0.172708 0Rh 6pz -0.271054 0.921771 -0.884781 0.150125 -0.132787 0.527760 0Rh 6px 0.128317 -0.345859 0.192897 -0.108513 -0.198916 1.097092 0Rh 6py -0.044322 -0.225207 0.426973 -0.674451 -0.706649 -0.102917 0Rh 1dz2 -0.008491 0.003166 -0.003765 -0.004071 0.003176 -0.007145 0Rh 1dxz 0.005279 0.007087 -0.006828 0.001559 -0.001346 0.004380 0Rh 1dyz -0.004412 0.002021 -0.002220 0.002103 -0.000664 -0.004113 0Rh 1dx2y2 0.011131 -0.007364 0.008625 -0.002787 -0.007929 0.006527 0Rh 1dxy 0.008001 -0.005050 0.010335 -0.000336 0.002574 0.008170 0Rh 2dz2 0.000323 -0.002367 0.001092 -0.000934 -0.002503 0.001651 0Rh 2dxz -0.001524 -0.001125 0.001995 -0.001478 -0.002148 0.002269 0Rh 2dyz 0.001146 -0.001579 -0.000116 0.003830 -0.001070 0.000844 0Rh 2dx2y2 0.000465 0.003840 -0.001408 0.000494 0.000523 -0.001978 0Rh 2dxy 0.001341 0.000816 -0.000849 0.000077 0.000658 -0.001766 0Rh 3dz2 0.020619 0.002418 0.005037 0.014397 0.002606 0.011150 0Rh 3dxz -0.007008 -0.013079 0.008941 0.002417 0.012923 -0.021463 0Rh 3dyz 0.006176 0.001970 0.006210 -0.022543 0.006674 0.007082 0Rh 3dx2y2 -0.031085 0.002018 -0.016036 0.004957 0.017971 -0.007932 0Rh 3dxy -0.026718 0.009411 -0.023079 0.000235 -0.009705 -0.013412 0Rh 4dz2 0.004815 -0.037170 0.014599 -0.007344 -0.033535 0.028853 0Rh 4dxz -0.022402 -0.023379 0.030774 -0.021728 -0.029551 0.031769 0Rh 4dyz 0.020995 -0.027878 -0.000308 0.056740 -0.018234 0.011010 0Rh 4dx2y2 0.008561 0.058767 -0.024334 0.010722 0.014602 -0.037723 0Rh 4dxy 0.018548 0.013984 -0.014866 0.006680 0.011473 -0.030609 0Rh 5dz2 -0.032856 0.158631 -0.040411 -0.015923 0.091604 -0.150553 0Rh 5dxz 0.072576 0.128481 -0.147516 0.097619 0.094926 -0.112827 0Rh 5dyz -0.125135 0.154376 -0.003666 -0.227218 0.067003 -0.011545 0Rh 5dx2y2 -0.028647 -0.228026 0.128555 -0.090580 -0.100285 0.237007 0Rh 5dxy -0.058255 -0.057472 0.084608 -0.072306 -0.070784 0.182380 0Rh 1f0 0.024921 0.046286 0.072321 0.227303 -0.156185 -0.067469 0Rh 1f+1 0.075921 0.035815 -0.125500 -0.010972 0.246056 0.205132 0Rh 1f-1 0.034830 0.014042 0.013803 -0.112440 0.064595 0.015612 0Rh 1f+2 -0.003278 -0.161236 0.063498 -0.118579 0.179291 -0.021993 0Rh 1f-2 -0.062044 -0.042868 0.116250 -0.009019 -0.140083 0.001270 0Rh 1f+3 0.039948 -0.117348 -0.019233 0.294280 -0.195893 0.002240 0Rh 1f-3 -0.060433 -0.032174 -0.016053 0.007317 -0.164796 0.049591 1Rh 1s -0.002811 0.002924 -0.001227 0.000801 -0.000350 -0.003061 1Rh 2s 0.013470 -0.012896 0.006487 -0.003496 0.001271 0.014364 1Rh 3s -0.008314 0.009330 -0.003262 0.002579 -0.001287 -0.009243 1Rh 4s -0.067295 0.064024 -0.032608 0.017276 -0.006288 -0.071447 1Rh 5s 0.092350 -0.076413 0.050067 -0.018966 0.005615 0.089808 1Rh 6s 0.054752 -0.107111 0.001697 -0.040037 0.018174 0.107719 1Rh 7s -0.378388 0.439065 0.086220 0.175041 -0.170532 -0.475996 1Rh 8s -0.519350 -0.266367 -0.158405 -0.202763 -0.020483 0.734998 1Rh 1pz -0.013546 0.003508 -0.001748 -0.008499 0.006802 -0.000088 1Rh 1px 0.002296 -0.003359 0.004519 -0.000142 0.002309 -0.000141 1Rh 1py -0.003900 -0.003140 -0.007702 0.000427 -0.006512 -0.005433 1Rh 2pz 0.047386 -0.012551 0.005546 0.029906 -0.023609 0.000365 1Rh 2px -0.008318 0.012621 -0.015625 0.000686 -0.008293 -0.000389 1Rh 2py 0.013284 0.011239 0.027151 -0.001517 0.022218 0.018843 1Rh 3pz -0.025934 0.012445 0.007820 -0.020502 0.009021 -0.002095 1Rh 3px 0.011258 -0.026325 0.004645 -0.004811 0.008690 0.019250 1Rh 3py -0.000478 -0.011640 -0.018669 0.001699 -0.000976 -0.006822 1Rh 4pz -0.213441 0.035533 -0.063247 -0.114162 0.121021 0.010366 1Rh 4px 0.006218 0.028719 0.086361 0.018199 0.020751 -0.079701 1Rh 4py -0.082456 -0.027274 -0.108451 0.000379 -0.140857 -0.098695 1Rh 5pz 0.386951 -0.059871 0.102735 0.204152 -0.214045 -0.035445 1Rh 5px -0.008862 -0.089421 -0.158153 -0.052398 -0.037833 0.190269 1Rh 5py 0.132946 0.043278 0.196960 0.003219 0.243779 0.184167 1Rh 6pz -0.328893 -0.911191 -0.857103 -0.166530 -0.031480 -0.522421 1Rh 6px 0.172152 0.356384 0.170261 0.117904 -0.096951 -1.093478 1Rh 6py -0.000600 0.225296 0.407749 0.705117 -0.718308 0.044609 1Rh 1dz2 0.008205 0.002305 0.003448 -0.003702 -0.002475 -0.006865 1Rh 1dxz -0.004511 0.007824 0.006764 0.001511 0.000392 0.004697 1Rh 1dyz 0.001970 0.002043 0.002066 0.001998 0.001350 -0.004199 1Rh 1dx2y2 -0.011962 -0.006628 -0.008240 -0.002984 0.006796 0.007361 1Rh 1dxy -0.009374 -0.005009 -0.010019 -0.000377 -0.003250 0.007846 1Rh 2dz2 0.000456 -0.002357 -0.000958 -0.001032 0.002352 0.001885 1Rh 2dxz 0.001349 -0.001289 -0.001912 -0.001551 0.001898 0.002443 1Rh 2dyz 0.000650 -0.001438 0.000175 0.003788 0.001194 0.000893 1Rh 2dx2y2 0.000324 0.003984 0.001209 0.000430 -0.000368 -0.001999 1Rh 2dxy -0.000522 0.001052 0.000823 0.000060 -0.000438 -0.001831 1Rh 3dz2 -0.023400 0.004612 -0.004815 0.013861 -0.003760 0.009425 1Rh 3dxz 0.005834 -0.014267 -0.009154 0.002853 -0.009329 -0.023044 1Rh 3dyz -0.008089 0.001282 -0.006084 -0.022071 -0.009034 0.007061 1Rh 3dx2y2 0.029703 -0.000548 0.015916 0.005746 -0.015758 -0.009969 1Rh 3dxy 0.026518 0.008260 0.022379 0.000412 0.010482 -0.012278 1Rh 4dz2 0.008066 -0.037004 -0.012424 -0.008674 0.031150 0.031521 1Rh 4dxz 0.018985 -0.025928 -0.029371 -0.022594 0.026310 0.034066 1Rh 4dyz 0.011086 -0.025669 0.001490 0.055976 0.020395 0.012128 1Rh 4dx2y2 0.003885 0.061165 0.021263 0.009916 -0.011107 -0.038844 1Rh 4dxy -0.003896 0.017320 0.014299 0.006594 -0.007674 -0.031575 1Rh 5dz2 -0.035425 0.157017 0.030122 -0.011973 -0.082263 -0.153841 1Rh 5dxz -0.053643 0.137952 0.141016 0.099479 -0.087493 -0.119857 1Rh 5dyz -0.058891 0.145164 -0.004495 -0.223897 -0.081595 -0.017174 1Rh 5dx2y2 -0.026996 -0.237080 -0.115566 -0.088197 0.076260 0.246861 1Rh 5dxy -0.023657 -0.068033 -0.081550 -0.074083 0.049145 0.187036 1Rh 1f0 0.029577 -0.049309 0.073863 -0.222849 -0.181160 0.035270 1Rh 1f+1 0.076992 -0.040620 -0.124473 -0.004022 0.287875 -0.162774 1Rh 1f-1 0.025774 -0.014634 0.011343 0.106162 0.074516 0.004128 1Rh 1f+2 -0.000646 0.160226 0.058408 0.115317 0.180355 0.050374 1Rh 1f-2 -0.044572 0.051802 0.111831 0.013679 -0.145712 -0.030801 1Rh 1f+3 0.059892 0.108991 -0.024625 -0.284601 -0.215858 -0.041000 1Rh 1f-3 -0.058841 0.034008 -0.021810 -0.003302 -0.159691 -0.077193 2C 1s -0.009135 0.005298 -0.000427 -0.001587 0.004652 -0.002652 2C 2s -0.031830 0.017866 0.000268 -0.005932 0.018139 -0.009013 2C 3s 0.222002 -0.074216 0.002333 0.086206 -0.153318 0.071430 2C 4s -0.051913 -0.131772 -0.069279 -0.249899 0.142214 -0.184815 2C 5s -0.514421 -0.922084 -0.370837 -0.007080 -1.629134 1.248153 2C 1pz 0.179239 -0.107392 0.018835 0.152954 0.038592 0.002935 2C 1px 0.079084 0.111048 0.035976 -0.080145 0.053254 -0.026662 2C 1py 0.008016 -0.015790 -0.006782 -0.112086 -0.229801 0.052636 2C 2pz -0.207249 0.099728 -0.072962 -0.414134 -0.206027 -0.059114 2C 2px -0.203937 -0.409310 -0.138739 0.194192 -0.227362 0.200405 2C 2py 0.070238 -0.033457 0.016193 0.289227 0.517586 -0.167641 2C 3pz 0.061934 -0.290873 -0.099107 0.039854 -0.267915 0.256235 2C 3px -0.024450 -0.057358 0.074902 -0.083959 0.000807 0.108827 2C 3py -0.125846 -0.158219 -0.018766 -0.115083 -0.453171 0.173636 2C 1dz2 -0.026457 0.022028 -0.006130 -0.011131 0.007062 -0.018312 2C 1dxz 0.020320 0.044958 0.005672 -0.011297 0.036542 -0.005584 2C 1dyz -0.046398 0.020605 0.002133 0.009444 0.025233 -0.012689 2C 1dx2y2 -0.004761 -0.005691 -0.011799 0.014958 -0.026101 0.010627 2C 1dxy 0.006079 0.017059 -0.005316 -0.016710 0.004108 0.002019 2C 2dz2 0.020109 -0.016754 -0.022238 -0.215981 -0.201032 0.058180 2C 2dxz -0.190964 -0.271723 -0.090453 0.098913 -0.260559 0.044493 2C 2dyz 0.164963 -0.058639 -0.011301 -0.017906 0.048450 0.011707 2C 2dx2y2 -0.038259 0.057754 0.005429 -0.169659 -0.114575 0.090225 2C 2dxy 0.000977 -0.168139 -0.050576 0.146952 -0.007339 0.010592 2C 1f0 -0.006368 -0.023386 -0.003067 0.009225 -0.021032 0.021107 2C 1f+1 -0.010138 -0.011543 -0.006245 -0.000446 -0.005985 0.019237 2C 1f-1 0.039150 -0.004736 0.007111 -0.004611 0.006696 -0.020435 2C 1f+2 -0.027262 0.073201 0.010377 -0.024604 0.055797 -0.043641 2C 1f-2 0.056146 -0.015086 -0.007874 -0.008705 -0.026810 0.021383 2C 1f+3 -0.054660 0.063210 0.011138 -0.004261 0.053657 -0.030385 2C 1f-3 -0.033487 -0.025605 -0.002867 0.017413 -0.010936 0.018109 3C 1s -0.004079 0.003020 0.011058 0.004422 0.003036 -0.003012 3C 2s -0.015773 0.010115 0.041617 0.016537 0.009624 -0.011582 3C 3s 0.178105 -0.021107 -0.310981 -0.128437 -0.055898 0.059775 3C 4s -0.379846 -0.154398 0.091861 0.142740 0.007828 -0.027790 3C 5s -0.667574 -1.470567 -2.161971 -0.195671 -0.008742 -0.176080 3C 1pz -0.037633 -0.110720 -0.248772 0.057689 -0.004077 -0.027517 3C 1px -0.018040 0.130915 -0.020064 0.087488 -0.074705 0.159045 3C 1py -0.147657 0.028710 0.080935 0.135895 0.026391 0.021485 3C 2pz 0.126956 0.312792 0.493928 -0.186912 -0.013686 0.015391 3C 2px -0.097691 -0.408053 -0.122730 -0.234033 0.154724 -0.328477 3C 2py 0.487137 0.068582 0.137043 -0.301603 0.006768 -0.027496 3C 3pz -0.083670 -0.162514 -0.587314 -0.030605 -0.027284 0.009404 3C 3px -0.107950 -0.156075 -0.103581 0.115195 -0.123450 0.107475 3C 3py 0.114473 0.414757 0.445952 0.073330 0.018209 0.051852 3C 1dz2 0.008772 -0.017232 -0.005890 -0.024777 -0.009959 0.002509 3C 1dxz 0.012990 0.021402 0.031217 0.020186 -0.004614 0.029488 3C 1dyz 0.031056 -0.002076 -0.038144 0.004307 -0.008592 0.012678 3C 1dx2y2 -0.000265 -0.026434 -0.048675 0.000955 -0.008717 0.019839 3C 1dxy -0.018635 -0.031434 -0.045952 -0.023808 -0.014039 0.000599 3C 2dz2 0.126455 0.180686 0.215796 -0.024577 -0.006336 0.041368 3C 2dxz 0.003256 -0.163091 -0.056580 -0.255826 0.057821 -0.255670 3C 2dyz -0.074270 -0.110060 -0.025189 0.019284 0.072597 -0.185228 3C 2dx2y2 0.126257 0.062154 0.208535 -0.145061 0.035504 -0.099160 3C 2dxy 0.157647 0.238591 0.253946 0.109298 -0.022864 0.097789 3C 1f0 -0.018955 -0.049427 -0.061731 -0.019550 -0.012081 0.035316 3C 1f+1 -0.025205 -0.041761 -0.033918 -0.019016 -0.005151 0.008825 3C 1f-1 0.032149 -0.002880 -0.040777 0.000672 -0.001346 0.012464 3C 1f+2 -0.040242 0.044483 0.110698 0.048177 0.022484 -0.034328 3C 1f-2 0.001735 0.040204 0.077850 0.021064 0.013860 -0.038974 3C 1f+3 -0.011830 0.002237 0.002676 0.010796 -0.003196 0.013197 3C 1f-3 0.027368 0.028070 -0.011282 0.006025 -0.004748 0.022773 4C 1s 0.004489 0.002524 0.001298 -0.006175 0.000337 0.003787 4C 2s 0.015515 0.006637 0.003791 -0.019130 -0.002091 0.012735 4C 3s 0.200015 -0.301112 0.172226 -0.120640 0.147333 0.217985 4C 4s -1.858603 1.723273 -1.089210 1.486541 -0.662203 -1.996143 4C 5s -1.007022 1.586874 -0.309074 0.258411 0.637093 -1.555413 4C 1pz -0.094975 0.012102 -0.001766 -0.031618 -0.023721 -0.040957 4C 1px -0.008774 0.069477 0.037932 0.056531 -0.064458 0.166667 4C 1py -0.007559 -0.004983 -0.009952 0.067079 0.071231 0.024030 4C 2pz -0.051851 0.000167 -0.194680 0.486054 -0.043044 -0.450362 4C 2px -0.574650 0.086617 -0.636483 -0.390019 0.048508 -0.269657 4C 2py -0.433783 0.225053 -0.248540 -0.003391 -0.331454 -0.366077 4C 3pz -1.298577 0.030844 -0.173182 -0.198534 -0.692602 0.277340 4C 3px -0.492805 0.427719 -0.280530 -0.427443 -0.087293 0.203668 4C 3py -0.735665 0.162616 -0.282913 -0.223003 -0.341400 0.231438 4C 1dz2 -0.022524 0.021235 -0.001846 0.018306 0.011054 0.006033 4C 1dxz -0.008039 -0.004031 0.006953 0.012547 0.018304 -0.047344 4C 1dyz -0.025966 0.024721 -0.003585 -0.020306 0.012768 -0.001371 4C 1dx2y2 0.006259 -0.020050 0.013814 0.013452 -0.021367 0.011288 4C 1dxy 0.007921 -0.022860 0.003989 -0.008687 0.021900 -0.033285 4C 2dz2 -0.035286 0.089295 0.149894 -0.382142 -0.128030 0.278725 4C 2dxz -0.238269 -0.457682 -0.115173 -0.000151 0.028838 0.190657 4C 2dyz -0.169457 0.129172 0.023631 0.253951 0.291947 -0.087389 4C 2dx2y2 -0.200332 0.031555 -0.271666 0.199410 -0.274437 -0.277163 4C 2dxy -0.521797 -0.059866 -0.261720 -0.016759 -0.370093 -0.098827 4C 1f0 -0.000226 0.003309 0.003419 -0.018531 -0.024341 0.013293 4C 1f+1 0.016679 -0.012620 0.015435 -0.031179 -0.023888 0.032063 4C 1f-1 -0.006694 -0.023359 0.010090 -0.016962 -0.007779 0.017200 4C 1f+2 -0.019434 0.032110 -0.010709 0.005489 -0.016773 -0.045823 4C 1f-2 0.002633 0.006909 -0.000995 -0.003993 0.005866 0.024056 4C 1f+3 0.014087 -0.022087 0.004849 0.017573 0.028326 -0.017974 4C 1f-3 0.041437 -0.025812 0.029324 -0.018188 0.026993 -0.000526 5C 1s 0.009202 -0.000035 -0.002659 0.003121 0.000371 0.003312 5C 2s 0.031127 -0.002353 -0.013918 0.010822 0.001228 0.009001 5C 3s -0.118913 -0.190174 0.252714 -0.083011 -0.297089 0.412687 5C 4s -0.682354 1.420106 -0.672101 0.186273 1.621828 -2.956305 5C 5s -0.392563 1.391421 1.179389 0.599417 0.793924 -1.578346 5C 1pz -0.028871 -0.007544 0.093262 -0.080501 -0.009876 0.005695 5C 1px 0.018635 0.037704 0.067602 0.090281 0.023696 0.032929 5C 1py 0.090662 -0.002454 -0.023395 0.002121 0.030310 -0.005905 5C 2pz 0.051543 0.059175 -0.298254 0.101926 0.186463 -0.536719 5C 2px -1.075313 0.288239 -0.546480 -0.032411 0.136698 0.101333 5C 2py 0.201831 -0.021662 0.184603 0.055394 -0.391105 0.706200 5C 3pz -0.510637 -0.536142 -0.135051 0.240294 0.196108 -0.704338 5C 3px -0.657861 0.222901 -0.258739 0.490144 0.171202 0.103272 5C 3py 0.794422 0.736757 0.457029 -0.561031 -0.315723 0.988975 5C 1dz2 -0.003802 0.006818 -0.002435 0.026448 0.013824 -0.003352 5C 1dxz 0.002104 0.008506 0.026194 -0.010543 -0.002089 -0.007079 5C 1dyz 0.012252 -0.015063 -0.030056 -0.035250 -0.012416 -0.006290 5C 1dx2y2 0.012836 -0.039057 -0.038769 0.001037 -0.014200 -0.017379 5C 1dxy -0.012818 0.003438 -0.024956 0.023017 -0.012915 0.028215 5C 2dz2 0.442145 0.145105 0.422549 -0.222188 -0.162327 0.225914 5C 2dxz -0.107320 -0.065197 0.155659 0.013382 -0.151497 0.304172 5C 2dyz -0.202443 -0.277399 -0.351967 -0.084228 -0.126890 0.150414 5C 2dx2y2 -0.223735 0.117064 -0.456410 -0.329274 0.199774 -0.486142 5C 2dxy 0.305188 0.372441 0.005717 0.346451 -0.096100 0.233475 5C 1f0 -0.000624 0.014523 -0.018034 0.025088 0.000864 0.007087 5C 1f+1 0.031301 -0.020810 0.008795 -0.014272 -0.021827 0.004702 5C 1f-1 -0.000522 0.017988 -0.026860 0.023424 0.008678 -0.009445 5C 1f+2 0.021695 0.010764 0.002406 -0.007043 0.014898 -0.021736 5C 1f-2 0.013664 0.022741 -0.001798 -0.014355 0.020879 -0.048069 5C 1f+3 0.009178 -0.029909 -0.004013 0.009955 -0.023934 0.022869 5C 1f-3 0.003443 0.017115 0.008534 -0.004873 0.023755 -0.020088 6C 1s -0.008232 0.000976 0.002930 0.003031 -0.000109 0.003397 6C 2s -0.028094 0.001111 0.014888 0.010526 -0.000230 0.009204 6C 3s 0.068405 -0.190708 -0.244040 -0.096362 0.257327 0.433819 6C 4s 0.916553 1.266424 0.572507 0.274826 -1.416840 -3.076745 6C 5s 0.772129 1.287217 -1.262226 0.645415 -0.657641 -1.596316 6C 1pz -0.046700 0.011552 0.092407 0.082520 -0.008848 -0.004426 6C 1px 0.005204 -0.032378 0.067990 -0.090204 0.033841 -0.031185 6C 1py 0.112193 -0.007842 -0.023807 -0.000575 0.027778 0.007043 6C 2pz 0.129972 -0.054260 -0.282697 -0.115160 0.147188 0.544884 6C 2px -1.046941 -0.221522 -0.523365 0.005763 0.154418 -0.093650 6C 2py 0.078497 -0.001036 0.163430 -0.044160 -0.348832 -0.733996 6C 3pz -0.724780 0.611144 -0.154161 -0.243015 0.094534 0.722654 6C 3px -0.838058 -0.153247 -0.246292 -0.507798 0.184373 -0.092831 6C 3py 1.132178 -0.860634 0.476402 0.587172 -0.187642 -1.006256 6C 1dz2 0.001326 0.006493 0.001893 0.027093 -0.012602 -0.004797 6C 1dxz -0.000331 0.008942 -0.026863 -0.011183 0.003677 -0.006765 6C 1dyz -0.015408 -0.012683 0.030652 -0.035651 0.011894 -0.006127 6C 1dx2y2 -0.021520 -0.035531 0.040403 -0.000116 0.018127 -0.016380 6C 1dxy 0.009620 0.003019 0.024980 0.022514 0.008156 0.029354 6C 2dz2 -0.395869 0.187977 -0.420260 -0.240345 0.155620 0.239551 6C 2dxz 0.144755 -0.079600 -0.140446 0.012314 0.128546 0.319070 6C 2dyz 0.080940 -0.270768 0.360937 -0.087011 0.114948 0.157923 6C 2dx2y2 0.167765 0.100704 0.444020 -0.318133 -0.158583 -0.504156 6C 2dxy -0.315576 0.399002 -0.025318 0.340771 0.060433 0.233294 6C 1f0 0.003375 -0.014650 -0.017291 -0.025529 0.001232 -0.007119 6C 1f+1 0.035226 0.016491 0.007751 0.015776 -0.023035 -0.006770 6C 1f-1 -0.000871 -0.018272 -0.025986 -0.024190 0.006690 0.009396 6C 1f+2 0.022429 -0.012938 0.002988 0.007156 0.012570 0.022531 6C 1f-2 0.012052 -0.022610 -0.000210 0.013092 0.015885 0.049916 6C 1f+3 0.011200 0.027851 -0.005551 -0.008798 -0.023349 -0.024413 6C 1f-3 0.001546 -0.016402 0.009919 0.003682 0.023482 0.022712 7C 1s -0.004987 0.002295 -0.001213 -0.005906 -0.000873 0.003929 7C 2s -0.017301 0.005936 -0.003426 -0.018182 0.000146 0.013511 7C 3s -0.202227 -0.272198 -0.160125 -0.126090 -0.158911 0.207399 7C 4s 1.924803 1.581230 0.992835 1.473658 0.821900 -1.979157 7C 5s 0.889413 1.523314 0.220006 0.217811 -0.512628 -1.642011 7C 1pz -0.078003 -0.010366 0.000960 0.034702 -0.031688 0.037488 7C 1px -0.009776 -0.073690 0.029573 -0.052648 -0.041052 -0.169339 7C 1py 0.014333 0.000830 -0.012045 -0.068165 0.071128 -0.014252 7C 2pz -0.148214 0.002635 -0.178896 -0.479913 -0.062886 0.472021 7C 2px -0.571424 -0.049238 -0.594495 0.370630 0.022833 0.265862 7C 2py -0.538131 -0.192037 -0.221015 0.011496 -0.353132 0.339175 7C 3pz -0.874757 0.018953 -0.147888 0.224538 -0.581445 -0.300030 7C 3px -0.425896 -0.402960 -0.265133 0.423559 -0.033707 -0.206789 7C 3py -0.443182 -0.149407 -0.264137 0.235762 -0.264181 -0.228007 7C 1dz2 0.018007 0.020164 0.001428 0.018234 -0.010703 0.004337 7C 1dxz 0.005831 -0.005099 -0.008511 0.012012 -0.010354 -0.048479 7C 1dyz 0.025295 0.023057 0.002584 -0.020957 -0.013782 -0.002846 7C 1dx2y2 -0.007710 -0.019984 -0.012938 0.013294 0.019563 0.013397 7C 1dxy -0.009553 -0.023275 -0.004376 -0.007800 -0.017184 -0.035081 7C 2dz2 -0.014871 0.089270 -0.137127 -0.396878 0.074057 0.292589 7C 2dxz 0.184058 -0.464223 0.121438 0.000459 -0.042200 0.194163 7C 2dyz 0.090111 0.116725 -0.026049 0.257645 -0.270408 -0.116587 7C 2dx2y2 0.250806 0.026301 0.255981 0.194994 0.285585 -0.262061 7C 2dxy 0.533095 -0.097916 0.254043 -0.022810 0.373566 -0.064054 7C 1f0 -0.001846 -0.003203 0.003100 0.019375 -0.023133 -0.015926 7C 1f+1 0.016473 0.011738 0.014233 0.032067 -0.018742 -0.035420 7C 1f-1 -0.000748 0.022490 0.009153 0.017919 -0.006736 -0.018204 7C 1f+2 -0.025851 -0.029945 -0.008902 -0.004191 -0.022629 0.043489 7C 1f-2 0.002533 -0.008178 -0.001462 0.003624 0.008299 -0.023393 7C 1f+3 0.019044 0.020760 0.005029 -0.017866 0.025493 0.021286 7C 1f-3 0.040521 0.024100 0.028741 0.016989 0.026378 0.002782 8C 1s 0.006753 0.002123 -0.011200 0.004623 -0.002663 -0.003052 8C 2s 0.024876 0.006821 -0.042076 0.017197 -0.008078 -0.011446 8C 3s -0.221499 0.004990 0.314349 -0.132507 0.047561 0.056979 8C 4s 0.290874 -0.174712 -0.101596 0.143451 -0.005733 -0.022476 8C 5s 0.637040 -1.522520 2.222032 -0.191692 0.043789 -0.216753 8C 1pz 0.004401 0.108202 -0.251088 -0.061029 -0.004000 0.027787 8C 1px -0.020121 -0.132021 -0.014041 -0.085934 -0.055439 -0.162241 8C 1py -0.176868 -0.010216 0.083193 -0.140730 0.029141 -0.022608 8C 2pz 0.068242 -0.316039 0.504883 0.195513 -0.017647 -0.019938 8C 2px -0.032898 0.417375 -0.139609 0.229867 0.116120 0.332216 8C 2py 0.420344 -0.102402 0.128288 0.308592 0.001338 0.033469 8C 3pz -0.023554 0.160612 -0.588251 0.022780 -0.015741 -0.005975 8C 3px -0.118740 0.169980 -0.107300 -0.112518 -0.112965 -0.112432 8C 3py 0.090940 -0.415185 0.463545 -0.079495 0.031355 -0.062658 8C 1dz2 -0.012702 -0.016223 0.006654 -0.024789 0.009003 0.003494 8C 1dxz -0.007577 0.022871 -0.032054 0.019861 0.001522 0.029767 8C 1dyz -0.038258 0.003378 0.038285 0.003237 0.008551 0.012773 8C 1dx2y2 -0.009555 -0.024319 0.049152 0.000763 0.004361 0.019150 8C 1dxy 0.009197 -0.032188 0.047453 -0.023985 0.012891 0.000939 8C 2dz2 -0.069006 0.183845 -0.219568 -0.029157 0.003046 0.039913 8C 2dxz -0.028442 -0.162693 0.063703 -0.256345 -0.028116 -0.258418 8C 2dyz 0.098590 -0.128269 0.030660 0.025867 -0.056137 -0.188986 8C 2dx2y2 -0.079330 0.065441 -0.204588 -0.147197 -0.016012 -0.098158 8C 2dxy -0.092907 0.248851 -0.263077 0.106388 0.018788 0.100617 8C 1f0 -0.009843 0.049245 -0.064314 0.020265 -0.005601 -0.033712 8C 1f+1 -0.018269 0.042899 -0.033101 0.017906 -0.001873 -0.007590 8C 1f-1 0.037589 -0.001648 -0.040511 -0.000564 -0.001246 -0.011571 8C 1f+2 -0.064430 -0.035423 0.111743 -0.049587 0.017759 0.032747 8C 1f-2 -0.016855 -0.037944 0.080537 -0.022166 0.007384 0.038547 8C 1f+3 -0.009156 -0.002538 0.003983 -0.010634 -0.001393 -0.012595 8C 1f-3 0.024330 -0.032864 -0.009101 -0.005829 -0.002537 -0.021855 9C 1s 0.007132 0.004882 0.000187 -0.001810 -0.004563 -0.003235 9C 2s 0.024977 0.016380 -0.001100 -0.006835 -0.018007 -0.011243 9C 3s -0.177801 -0.066740 0.005392 0.094206 0.154877 0.091944 9C 4s 0.070217 -0.118587 0.049942 -0.260164 -0.146068 -0.213387 9C 5s 0.316536 -0.924789 0.402278 0.004472 1.452903 1.369416 9C 1pz 0.157048 0.098515 0.014360 -0.160146 0.031707 -0.000138 9C 1px 0.075232 -0.111080 0.037572 0.075219 0.048558 0.030757 9C 1py -0.019799 0.016491 -0.009121 0.116379 -0.217142 -0.077991 9C 2pz -0.240924 -0.097271 -0.059586 0.433354 -0.184488 0.047580 9C 2px -0.216158 0.405994 -0.146809 -0.182663 -0.197125 -0.219660 9C 2py 0.087687 0.031169 0.026049 -0.300707 0.484816 0.225145 9C 3pz 0.097732 0.274193 -0.107371 -0.048492 -0.232533 -0.269835 9C 3px 0.034906 0.057317 0.073028 0.080829 0.022893 -0.105536 9C 3py -0.123911 0.166981 -0.022463 0.119869 -0.421342 -0.219474 9C 1dz2 0.023791 0.019714 0.005409 -0.012339 -0.004068 -0.018492 9C 1dxz -0.021356 0.046058 -0.007299 -0.011464 -0.036288 -0.008640 9C 1dyz 0.039121 0.018503 -0.003140 0.008638 -0.024113 -0.016124 9C 1dx2y2 0.007319 -0.005360 0.012214 0.014978 0.024524 0.012638 9C 1dxy -0.006922 0.018004 0.004735 -0.016506 -0.005540 0.001723 9C 2dz2 0.010304 -0.009831 0.021528 -0.222524 0.178115 0.076089 9C 2dxz 0.203008 -0.279283 0.094458 0.092787 0.250071 0.065030 9C 2dyz -0.132623 -0.049250 0.010505 -0.012918 -0.044663 0.007104 9C 2dx2y2 0.043110 0.055691 -0.005046 -0.175086 0.096766 0.104339 9C 2dxy 0.013566 -0.162470 0.054041 0.144790 0.012644 0.011113 9C 1f0 -0.010919 0.024199 -0.004400 -0.009684 -0.019204 -0.023453 9C 1f+1 -0.009378 0.011780 -0.007078 0.000164 -0.003448 -0.020323 9C 1f-1 0.029668 0.003278 0.007688 0.004204 0.003957 0.020611 9C 1f+2 -0.022626 -0.071000 0.013593 0.025741 0.052898 0.049108 9C 1f-2 0.045465 0.011131 -0.008282 0.006745 -0.024559 -0.023932 9C 1f+3 -0.046333 -0.058798 0.013714 0.006784 0.052074 0.036051 9C 1f-3 -0.031876 0.024038 -0.003299 -0.016476 -0.006380 -0.017042 10H 1s 0.014566 -0.157963 -0.045295 0.055777 -0.172470 0.131039 10H 2s -0.177035 0.362740 0.070549 -0.090396 0.293866 -0.350848 10H 3s 0.073949 -0.122198 -0.041208 0.130596 -0.044534 -0.058344 10H 1pz 0.071925 0.036667 0.022570 0.009640 0.064380 -0.033736 10H 1px 0.076578 0.053178 0.004045 -0.061691 0.019244 0.041211 10H 1py -0.031422 0.053814 0.000667 -0.129717 -0.115353 0.027513 11H 1s 0.132390 -0.016426 0.001242 -0.001779 -0.032804 0.005316 11H 2s -0.271605 0.082172 -0.021227 -0.101855 0.038727 0.051657 11H 3s 0.148280 0.090522 0.087378 -0.001618 0.332374 -0.099059 11H 1pz -0.040598 -0.118660 -0.029078 0.022579 -0.126624 0.058763 11H 1px 0.035890 0.093332 0.002600 -0.090923 -0.017678 0.022571 11H 1py -0.067979 -0.044168 -0.034123 -0.119350 -0.220813 0.061220 12H 1s 0.163727 -0.099596 -0.009083 -0.019199 -0.058198 0.016958 12H 2s -0.323066 0.206125 0.046102 0.055254 0.243360 -0.005840 12H 3s 0.050184 0.060466 0.050756 -0.236856 -0.053018 -0.076083 12H 1pz 0.106035 -0.148369 -0.024061 0.177129 0.112292 -0.021859 12H 1px 0.074713 0.108593 0.020752 -0.043212 0.075201 -0.012324 12H 1py -0.031408 -0.061691 -0.004801 0.032204 -0.028271 0.040410 13H 1s -0.053993 -0.140393 -0.234766 -0.082855 -0.029786 0.064876 13H 2s 0.004170 0.321152 0.512722 0.101605 0.072976 -0.248820 13H 3s 0.030054 -0.071506 -0.155917 -0.110230 0.033295 -0.091288 13H 1pz -0.064411 0.010308 -0.043870 0.073504 -0.014757 0.018651 13H 1px -0.036116 0.086917 -0.010881 0.086936 -0.045746 0.180160 13H 1py -0.063665 -0.084121 -0.063811 0.049461 0.032016 -0.054705 14H 1s 0.055547 -0.080635 -0.185367 -0.049192 -0.051095 0.105272 14H 2s -0.081876 0.166978 0.449903 0.145529 0.108882 -0.150716 14H 3s -0.033306 0.100666 0.006524 0.178513 -0.124800 0.209423 14H 1pz -0.030819 -0.155891 -0.079335 -0.020350 0.034113 -0.093701 14H 1px 0.015000 0.105886 0.043599 0.042877 -0.024985 0.097259 14H 1py -0.075830 0.078621 0.016479 0.182810 -0.017289 0.053409 15H 1s 0.137912 -0.001590 -0.131275 -0.043479 -0.014863 0.021345 15H 2s -0.309874 -0.009194 0.254782 0.210168 0.033675 -0.043356 15H 3s 0.174960 0.073000 0.364468 0.031334 -0.012447 -0.023941 15H 1pz -0.065874 -0.140251 -0.213792 0.042923 0.012825 -0.021443 15H 1px -0.066900 0.074877 -0.060887 0.116533 -0.037586 0.137905 15H 1py 0.050278 0.132588 0.163204 -0.010765 -0.013339 0.051918 16H 1s -0.056594 0.106359 -0.001473 -0.020177 -0.009785 -0.099604 16H 2s 0.107467 -0.317791 0.032575 0.043045 0.041250 0.270809 16H 3s -0.049424 0.145197 -0.030784 -0.017673 0.022273 -0.232198 16H 1pz 0.030592 -0.082221 -0.011493 0.025448 0.014953 0.036825 16H 1px 0.201417 0.000501 0.025006 -0.043016 -0.136599 0.244299 16H 1py 0.158520 -0.059842 0.014222 -0.027549 -0.134726 0.286227 17H 1s -0.040373 0.111978 -0.030118 0.005983 -0.027691 -0.082127 17H 2s 0.200126 -0.316936 0.056817 -0.000796 0.082970 0.239039 17H 3s -0.130625 0.147726 -0.042336 0.046017 -0.011417 -0.137565 17H 1pz 0.011349 0.098208 -0.106978 0.024454 -0.056663 0.010130 17H 1px -0.055260 -0.101472 0.269113 -0.004456 -0.043685 -0.093709 17H 1py 0.022848 -0.251211 0.277642 -0.021057 -0.004835 -0.007022 18H 1s 0.046551 0.106285 0.021558 0.004547 0.038071 -0.079691 18H 2s -0.220144 -0.291983 -0.032302 0.004525 -0.114327 0.228681 18H 3s 0.131876 0.133317 0.030338 0.046879 0.025774 -0.134487 18H 1pz 0.002325 -0.108781 -0.107763 -0.022488 -0.054346 -0.013493 18H 1px -0.044820 0.118559 0.271166 0.008817 -0.068190 0.089405 18H 1py 0.041943 0.253001 0.266678 0.024057 -0.016803 0.006975 19H 1s 0.063308 0.099844 -0.005864 -0.020715 0.016631 -0.098474 19H 2s -0.130187 -0.305734 -0.011880 0.044618 -0.057682 0.266183 19H 3s 0.066569 0.136558 0.019349 -0.013736 -0.006874 -0.230588 19H 1pz 0.032849 0.073447 -0.018042 -0.025606 0.013541 -0.029989 19H 1px 0.201338 -0.014219 0.021478 0.045629 -0.103610 -0.249459 19H 1py 0.162849 0.049962 0.006610 0.030577 -0.101580 -0.297556 20H 1s -0.158658 0.016838 0.131843 -0.045828 0.016204 0.019561 20H 2s 0.353350 -0.046000 -0.254816 0.214233 -0.026544 -0.037350 20H 3s -0.127221 0.086451 -0.364629 0.023680 0.027004 -0.018853 20H 1pz -0.028254 0.142543 -0.216948 -0.047526 0.014724 0.022972 20H 1px -0.059634 -0.071995 -0.056783 -0.117340 -0.019511 -0.138965 20H 1py 0.014565 -0.134299 0.167025 0.012036 -0.008098 -0.054011 21H 1s -0.092931 -0.063329 0.187234 -0.052894 0.035956 0.101684 21H 2s 0.176741 0.133599 -0.454011 0.152305 -0.086130 -0.141292 21H 3s 0.024875 0.104162 -0.015368 0.177185 0.093017 0.215741 21H 1pz -0.015290 0.158561 -0.084486 0.018233 0.025511 0.094573 21H 1px 0.004743 -0.107571 0.047532 -0.041854 -0.014278 -0.099853 21H 1py -0.092769 -0.068146 0.020452 -0.186736 -0.010321 -0.056909 22H 1s 0.008244 -0.140425 0.240397 -0.082547 0.014857 0.062197 22H 2s 0.112865 0.304548 -0.524020 0.104831 -0.034866 -0.242505 22H 3s -0.093630 -0.060324 0.155586 -0.107751 -0.032560 -0.094070 22H 1pz -0.067019 -0.004099 -0.043233 -0.076003 -0.010213 -0.019959 22H 1px -0.036831 -0.086582 -0.007025 -0.085795 -0.023302 -0.180895 22H 1py -0.057202 0.090543 -0.066399 -0.051879 0.026744 0.055005 23H 1s -0.147192 -0.088465 0.011694 -0.014464 0.058991 0.023944 23H 2s 0.265245 0.183628 -0.053942 0.048876 -0.251922 -0.032384 23H 3s -0.043043 0.060773 -0.054817 -0.240869 0.052283 -0.064637 23H 1pz 0.107921 0.139865 -0.025960 -0.184544 0.100927 0.034808 23H 1px 0.066921 -0.109752 0.022738 0.038579 0.070643 0.018687 23H 1py -0.024858 0.062101 -0.005865 -0.031815 -0.019598 -0.042357 24H 1s -0.110853 -0.012250 -0.000702 0.002881 0.036481 0.011826 24H 2s 0.230143 0.077254 0.020300 -0.113879 -0.060134 0.043388 24H 3s -0.178193 0.098872 -0.092545 0.004579 -0.317764 -0.130558 24H 1pz -0.052283 0.118496 -0.032534 -0.020816 -0.114740 -0.070181 24H 1px 0.028188 -0.094607 0.003004 0.089772 -0.012216 -0.024898 24H 1py -0.086586 0.047921 -0.035831 0.124634 -0.205723 -0.083703 25H 1s 0.001054 -0.153570 0.053635 0.058765 0.159890 0.146357 25H 2s 0.134283 0.344066 -0.088820 -0.100819 -0.257395 -0.380845 25H 3s -0.028672 -0.113353 0.044789 0.130610 0.055435 -0.054184 25H 1pz 0.068387 -0.039603 0.022358 -0.012078 0.055630 0.040462 25H 1px 0.070291 -0.057629 0.003753 0.057769 0.023429 -0.039695 25H 1py -0.034500 -0.051150 0.000995 0.132683 -0.107519 -0.040064 26O 1s -0.002265 -0.004016 -0.003140 0.000317 -0.003858 -0.002979 26O 2s -0.006266 -0.010501 -0.007649 0.001456 -0.010023 -0.007075 26O 3s 0.004315 0.024593 -0.010837 -0.003718 0.010893 -0.009282 26O 4s 0.056875 0.296022 0.244490 -0.038533 0.245116 0.168299 26O 5s 2.082524 -1.540849 1.036536 -0.282638 0.048503 1.211537 26O 1pz 0.081548 -0.002354 0.001838 -0.039090 -0.086725 0.031519 26O 1px -0.097701 0.014819 -0.029338 0.024402 -0.028132 0.005162 26O 1py 0.006743 -0.010548 0.015474 0.053841 -0.013665 0.011383 26O 2pz -0.093116 0.041917 -0.012253 0.063745 0.068073 -0.081349 26O 2px -0.204559 -0.037276 -0.196085 0.062349 -0.071175 -0.230413 26O 2py -0.128081 0.026114 -0.107560 0.004205 -0.040596 -0.135832 26O 3pz 0.205547 0.123464 -0.060652 -0.187127 -0.289880 0.081060 26O 3px -1.008735 0.802263 -0.643155 0.238486 -0.315970 -0.451606 26O 3py -0.145134 0.207054 -0.406973 0.154765 -0.070848 -0.035015 26O 1dz2 0.000431 0.003129 0.000721 -0.000938 -0.004284 0.003476 26O 1dxz 0.001378 0.002681 -0.000706 -0.000734 -0.004300 0.000647 26O 1dyz 0.003553 -0.000451 0.000535 -0.003453 -0.001913 0.003349 26O 1dx2y2 -0.001381 -0.003847 -0.000962 -0.000605 0.002395 -0.004997 26O 1dxy 0.000231 0.001444 0.000697 0.000099 -0.003754 -0.003369 26O 2dz2 -0.116368 0.033233 -0.052435 0.157329 0.013760 -0.058354 26O 2dxz -0.077180 -0.157084 0.008134 0.110947 0.070068 0.065481 26O 2dyz 0.018844 -0.206601 0.003868 -0.076791 -0.089872 0.105135 26O 2dx2y2 0.343733 -0.160719 0.100406 -0.043721 0.150138 -0.028352 26O 2dxy 0.161602 -0.055680 0.175423 -0.092137 0.027915 0.031181 26O 1f0 0.002736 0.001114 0.001411 0.000431 0.002068 0.004245 26O 1f+1 0.005298 -0.002251 0.004723 0.006661 0.010095 0.001712 26O 1f-1 0.000131 -0.001439 0.001212 0.002519 0.003326 -0.000012 26O 1f+2 0.001782 0.001923 0.001214 0.001314 0.002548 -0.000710 26O 1f-2 -0.005158 -0.002187 -0.002522 -0.003054 -0.000803 -0.006674 26O 1f+3 0.000976 -0.000422 0.002573 -0.002607 0.003625 0.000146 26O 1f-3 0.002309 0.000258 0.004445 -0.001005 -0.004478 0.012615 27O 1s -0.002560 -0.001984 -0.008893 -0.004708 0.000204 0.000449 27O 2s -0.006512 -0.005307 -0.021890 -0.012184 0.000809 0.001370 27O 3s -0.005113 0.019788 0.008808 0.012506 0.007723 -0.018974 27O 4s 0.163935 0.138396 0.573295 0.369037 -0.040824 -0.002822 27O 5s 1.723787 -0.951050 0.087478 -0.774070 -1.029761 2.126600 27O 1pz 0.063192 -0.024934 -0.057288 -0.035352 -0.026040 -0.006768 27O 1px -0.093958 -0.007314 0.002386 0.010083 0.022507 -0.061886 27O 1py -0.016781 -0.020453 0.086212 -0.045433 0.024572 -0.061747 27O 2pz -0.038570 0.039983 0.075139 0.049351 0.024382 -0.019677 27O 2px -0.214682 -0.007392 -0.242136 -0.145144 0.145708 -0.234473 27O 2py 0.065440 -0.016441 -0.064474 0.039751 -0.076829 0.158160 27O 3pz 0.112921 -0.071028 -0.125601 -0.187535 -0.000592 0.336910 27O 3px -0.996715 0.729913 -0.467293 0.344261 0.609092 -0.752119 27O 3py 0.130979 -0.528053 0.445103 0.030683 0.077308 -0.546798 27O 1dz2 0.000715 -0.001205 0.004586 0.001751 0.001317 0.000135 27O 1dxz 0.000995 0.004144 -0.002845 0.001937 0.000338 0.000685 27O 1dyz 0.000244 0.000826 0.004378 -0.001220 0.003687 -0.004955 27O 1dx2y2 -0.000081 -0.004194 0.000926 -0.004094 0.002054 -0.007409 27O 1dxy 0.001876 -0.001298 0.006431 -0.002966 0.003537 -0.000783 27O 2dz2 -0.243791 0.018439 -0.048638 0.164686 0.131835 -0.101012 27O 2dxz -0.071192 0.088475 0.060912 0.070638 0.010135 -0.010023 27O 2dyz 0.095279 0.050505 0.107692 0.044128 0.097251 -0.162137 27O 2dx2y2 0.328163 -0.090289 -0.007373 0.070354 -0.115863 0.122940 27O 2dxy 0.027734 0.297395 -0.061574 0.067067 0.022596 0.041677 27O 1f0 -0.001511 -0.000415 -0.004959 0.000428 0.000468 -0.000980 27O 1f+1 -0.001340 -0.001466 0.001808 0.009453 -0.003519 0.006930 27O 1f-1 0.000170 -0.000822 -0.000594 -0.000623 0.000096 -0.002964 27O 1f+2 0.004176 -0.000369 0.000892 0.001429 -0.002443 0.000907 27O 1f-2 0.002628 0.001980 -0.000672 0.002316 -0.001065 0.002219 27O 1f+3 0.005590 -0.002162 0.012718 -0.003850 0.001032 0.000067 27O 1f-3 -0.003231 -0.000828 -0.004785 -0.001422 0.002469 -0.002807 28O 1s 0.003930 -0.002279 -0.000192 0.004804 -0.004401 0.003115 28O 2s 0.008531 -0.006412 -0.000922 0.012583 -0.011369 0.007875 28O 3s 0.017925 0.035514 0.007670 -0.017032 0.026297 -0.025167 28O 4s -0.461530 -0.029686 -0.030369 -0.148488 0.097845 -0.148539 28O 5s 1.388669 -1.281841 -0.021250 -0.748812 0.232657 1.439844 28O 1pz 0.013455 -0.061604 -0.041092 0.067875 -0.013696 -0.022824 28O 1px 0.085548 -0.030437 -0.009696 0.000948 0.002713 0.033415 28O 1py 0.002149 -0.035241 0.004051 -0.033309 -0.090859 0.011334 28O 2pz -0.064331 0.168072 0.004304 0.064632 -0.018083 -0.045550 28O 2px -0.112964 -0.128088 -0.015105 -0.109466 0.046872 -0.011485 28O 2py -0.063532 0.058062 -0.027018 0.037475 0.047311 -0.031222 28O 3pz 0.224461 -0.108883 -0.006958 0.790389 -0.145396 -0.694997 28O 3px 0.509404 -0.433628 0.073723 -0.284606 0.134714 0.909099 28O 3py 0.219394 -0.349471 -0.134824 0.036434 -0.222840 -0.006251 28O 1dz2 0.001200 -0.004962 0.000234 0.002852 -0.006462 -0.001118 28O 1dxz -0.001097 -0.003866 -0.000913 0.002475 0.002141 -0.002034 28O 1dyz 0.006195 -0.007729 0.001094 0.003989 -0.001636 0.001847 28O 1dx2y2 -0.000972 0.004880 0.001390 0.000544 0.000558 0.003936 28O 1dxy -0.000428 -0.001975 0.000350 -0.002052 -0.004265 0.005370 28O 2dz2 -0.061088 -0.013642 0.036269 -0.120122 -0.056747 0.117596 28O 2dxz -0.082079 0.004668 -0.004647 0.286823 0.042628 -0.266365 28O 2dyz 0.222776 -0.107449 0.061372 0.088455 0.139303 0.129707 28O 2dx2y2 0.165594 0.031702 0.074383 -0.006011 0.023811 0.140640 28O 2dxy 0.044493 -0.115800 -0.029429 -0.098120 -0.224761 0.120813 28O 1f0 -0.001949 0.001562 -0.000045 -0.004858 0.002013 0.001028 28O 1f+1 0.001938 -0.000594 0.002878 -0.006492 0.002422 -0.004804 28O 1f-1 -0.004188 0.003951 -0.001936 0.001966 -0.000203 0.004610 28O 1f+2 0.003364 0.002918 0.001286 0.004224 -0.005543 0.001268 28O 1f-2 0.000508 -0.003745 -0.000972 -0.001660 0.001451 -0.004421 28O 1f+3 0.003006 0.002509 0.001021 0.004528 0.002027 -0.000696 28O 1f-3 0.000738 -0.001147 -0.000037 -0.000696 -0.000478 -0.001223 29O 1s -0.000246 0.002188 -0.001317 -0.000621 -0.000287 -0.000433 29O 2s -0.001876 0.009258 -0.003806 -0.002056 -0.001627 -0.003085 29O 3s 0.042405 -0.111216 0.019077 0.013395 0.023376 0.063607 29O 4s -0.136872 0.273832 0.038687 -0.045202 -0.102756 -0.168363 29O 5s -0.149632 0.319310 -0.316721 0.120789 0.125620 -0.388047 29O 1pz -0.009443 0.022181 0.010978 -0.004604 -0.002314 -0.001096 29O 1px -0.010434 -0.014165 -0.007540 -0.010419 0.005199 0.030305 29O 1py -0.026998 0.067297 -0.026809 -0.014804 0.021634 -0.053753 29O 2pz 0.069671 -0.043508 -0.035048 0.028424 -0.061581 0.104033 29O 2px -0.027684 0.116419 -0.062473 0.025164 -0.013843 -0.079354 29O 2py 0.077447 -0.176166 0.042232 0.010417 0.005805 0.138939 29O 3pz -0.124795 -0.003792 0.059383 -0.018549 0.100014 -0.195537 29O 3px -0.034606 -0.141307 0.107079 -0.068413 -0.049058 0.116573 29O 3py -0.036213 0.072437 -0.134684 0.063345 0.102369 -0.078838 29O 1dz2 -0.000166 0.001218 -0.000369 0.000478 -0.002500 0.001447 29O 1dxz 0.000495 -0.001190 0.002403 -0.000663 0.000462 -0.003781 29O 1dyz 0.000424 -0.000621 0.000361 -0.000657 -0.000976 -0.000762 29O 1dx2y2 0.001041 -0.003380 0.002119 -0.001369 -0.000373 0.001399 29O 1dxy 0.000113 -0.000151 0.000535 0.000848 0.000457 0.000703 29O 2dz2 -0.098872 -0.032691 0.089596 0.003267 0.056886 -0.140681 29O 2dxz 0.188184 0.040540 -0.059693 -0.049633 -0.130456 0.267491 29O 2dyz 0.146467 0.087886 -0.172295 -0.013240 -0.076048 0.187488 29O 2dx2y2 -0.034954 0.244137 -0.352209 0.041128 0.112127 -0.088809 29O 2dxy 0.074234 0.008819 0.034936 -0.018338 -0.035753 0.068959 29O 1f0 0.006063 -0.011345 -0.001094 0.001353 0.002827 0.010190 29O 1f+1 -0.001465 0.005177 0.000143 0.000094 -0.003818 -0.000419 29O 1f-1 0.010707 -0.016008 0.003637 0.001523 -0.001592 0.017387 29O 1f+2 -0.001695 0.002138 0.003838 -0.000554 -0.000367 -0.005304 29O 1f-2 0.003453 -0.012331 0.005259 -0.002735 0.004602 0.004519 29O 1f+3 -0.001686 0.004855 -0.002346 0.001112 -0.001386 -0.001328 29O 1f-3 -0.001643 0.006156 -0.003573 0.000461 -0.002189 -0.003191 30O 1s 0.002549 -0.001549 -0.004788 0.000581 0.001713 -0.000808 30O 2s 0.004407 -0.004120 -0.011850 0.001213 0.004449 -0.002200 30O 3s 0.047065 0.026136 0.015020 0.000905 0.002774 -0.004938 30O 4s -0.476029 -0.086160 0.245976 -0.033501 -0.105563 -0.122014 30O 5s 0.430218 -0.564917 -0.591787 -0.606957 -0.637048 2.587746 30O 1pz -0.028590 -0.023270 -0.089058 0.020613 -0.008083 0.006228 30O 1px 0.055397 -0.021047 -0.100844 -0.006904 -0.014977 0.052760 30O 1py -0.000665 0.071080 0.093441 0.070449 -0.015013 0.076554 30O 2pz 0.070956 0.101396 0.044267 0.049230 0.097274 -0.127570 30O 2px -0.199266 -0.086042 0.064910 -0.081257 -0.075478 0.060090 30O 2py -0.026569 -0.131359 -0.056621 -0.093802 -0.086582 0.085064 30O 3pz -0.014775 -0.058543 -0.228103 -0.098213 0.180425 -0.494089 30O 3px 0.144450 -0.289156 -0.272193 -0.180996 -0.308854 1.134692 30O 3py -0.332224 0.068051 0.366990 0.589411 -0.246830 0.795111 30O 1dz2 0.000089 0.001050 0.001196 -0.001211 -0.001397 0.000064 30O 1dxz -0.001587 -0.006203 -0.002071 -0.001271 0.001403 -0.000830 30O 1dyz -0.001903 0.006843 0.007906 0.001352 0.002604 0.001710 30O 1dx2y2 -0.002331 0.006137 0.009576 0.005942 -0.000303 0.007352 30O 1dxy -0.001785 0.003935 0.000232 0.006680 0.000975 0.000656 30O 2dz2 0.002385 0.032112 0.128128 -0.107154 0.065901 -0.176604 30O 2dxz -0.185947 -0.126819 -0.055226 0.069103 0.061391 -0.129387 30O 2dyz -0.073213 0.104449 0.011134 -0.047356 0.085974 -0.249889 30O 2dx2y2 0.025169 -0.005748 -0.113921 -0.040757 -0.031309 0.033696 30O 2dxy -0.111738 -0.017120 -0.016624 0.265637 -0.052470 0.242960 30O 1f0 -0.004384 -0.003956 -0.001332 -0.003793 -0.004188 0.001387 30O 1f+1 -0.001639 0.000415 0.000857 -0.001420 -0.002256 0.001731 30O 1f-1 -0.001545 0.000231 -0.000590 -0.000974 -0.003530 0.001524 30O 1f+2 0.005630 -0.000583 -0.003448 -0.002882 -0.003741 -0.003811 30O 1f-2 0.005048 0.001384 -0.004142 0.005295 0.005249 -0.006138 30O 1f+3 0.000575 0.000070 -0.000221 0.000772 -0.000053 -0.001243 30O 1f-3 0.004632 -0.003559 -0.007042 -0.001224 0.003985 -0.007508 31O 1s -0.004454 -0.001246 0.004771 0.000611 -0.001878 -0.001066 31O 2s -0.009550 -0.003517 0.011793 0.001315 -0.004898 -0.002863 31O 3s -0.034361 0.029411 -0.015698 0.000514 -0.001017 -0.004932 31O 4s 0.569257 -0.137540 -0.240101 -0.031401 0.126834 -0.104434 31O 5s -0.858630 -0.413674 0.648814 -0.636558 0.405740 2.612787 31O 1pz -0.020093 0.025431 -0.089452 -0.022094 -0.005329 -0.004386 31O 1px 0.072199 0.010727 -0.103045 0.008137 -0.011645 -0.051980 31O 1py -0.017310 -0.068116 0.095016 -0.071109 -0.007070 -0.078195 31O 2pz 0.063039 -0.100984 0.050214 -0.051370 0.088489 0.132854 31O 2px -0.209163 0.100632 0.059434 0.081771 -0.074892 -0.068707 31O 2py -0.012269 0.124664 -0.064194 0.097772 -0.085969 -0.091199 31O 3pz 0.087989 0.062541 -0.218720 0.090557 0.156446 0.516153 31O 3px 0.310297 0.232172 -0.298959 0.194644 -0.209137 -1.150255 31O 3py -0.478868 -0.031264 0.359930 -0.585267 -0.170032 -0.822639 31O 1dz2 0.000082 0.001170 -0.001325 -0.001311 0.001272 0.000157 31O 1dxz 0.000755 -0.006234 0.002248 -0.001213 -0.001205 -0.001225 31O 1dyz 0.003103 0.006411 -0.008154 0.001545 -0.002719 0.001650 31O 1dx2y2 0.003107 0.005618 -0.009827 0.005968 -0.000647 0.007391 31O 1dxy 0.001966 0.003765 -0.000459 0.006736 -0.001114 0.000503 31O 2dz2 0.036641 0.028565 -0.131894 -0.106953 -0.045421 -0.179056 31O 2dxz 0.145022 -0.145557 0.052825 0.073455 -0.061188 -0.138869 31O 2dyz 0.112419 0.085575 -0.017791 -0.040610 -0.064200 -0.255745 31O 2dx2y2 -0.046240 0.002942 0.114071 -0.043183 0.030610 0.033715 31O 2dxy 0.137568 -0.024481 0.020516 0.266066 0.030305 0.247210 31O 1f0 -0.004342 0.003987 -0.001500 0.003911 -0.004414 -0.001647 31O 1f+1 -0.001565 -0.000374 0.000886 0.001545 -0.001897 -0.002001 31O 1f-1 -0.001653 -0.000195 -0.000603 0.001112 -0.003386 -0.001655 31O 1f+2 0.005900 -0.000128 -0.003463 0.003102 -0.004303 0.003536 31O 1f-2 0.005465 -0.001510 -0.004022 -0.005450 0.004873 0.006595 31O 1f+3 0.001069 -0.000263 -0.000164 -0.000793 -0.000452 0.001305 31O 1f-3 0.005273 0.003058 -0.007110 0.001168 0.003270 0.007766 32O 1s 0.000374 0.002209 0.001220 -0.000701 0.000362 -0.000436 32O 2s 0.002392 0.009126 0.003287 -0.002336 0.002023 -0.003053 32O 3s -0.048230 -0.105215 -0.010864 0.015381 -0.030011 0.062351 32O 4s 0.147258 0.248632 -0.063437 -0.049834 0.120882 -0.161976 32O 5s 0.186712 0.322824 0.303361 0.125805 -0.097916 -0.391014 32O 1pz -0.007827 -0.019848 0.012318 0.004390 -0.000231 -0.000414 32O 1px -0.008130 0.014550 -0.009451 0.009598 0.008848 -0.031099 32O 1py -0.030980 -0.064816 -0.022859 0.013931 0.015825 0.054474 32O 2pz 0.067592 0.032404 -0.038722 -0.025896 -0.059991 -0.104865 32O 2px -0.037596 -0.113815 -0.053404 -0.023687 -0.023975 0.079937 32O 2py 0.088288 0.165884 0.028063 -0.011314 0.018635 -0.139042 32O 3pz -0.127549 0.020758 0.065430 0.016712 0.078240 0.196922 32O 3px -0.022117 0.144635 0.099302 0.071948 -0.041876 -0.120661 32O 3py -0.041236 -0.072867 -0.128300 -0.068001 0.097792 0.089335 32O 1dz2 0.000337 0.001321 0.000383 0.000351 0.002303 0.001595 32O 1dxz -0.000477 -0.001166 -0.002392 -0.000700 -0.000108 -0.003747 32O 1dyz -0.000427 -0.000544 -0.000370 -0.000731 0.001242 -0.000578 32O 1dx2y2 -0.001349 -0.003388 -0.001990 -0.001483 0.000319 0.001468 32O 1dxy -0.000012 -0.000359 -0.000658 0.000838 -0.000468 0.000554 32O 2dz2 0.098805 -0.047528 -0.097929 0.004123 -0.036741 -0.149460 32O 2dxz -0.182018 0.054711 0.064140 -0.050109 0.090723 0.273346 32O 2dyz -0.132446 0.110699 0.178384 -0.012012 0.040955 0.186375 32O 2dx2y2 0.061253 0.251442 0.340182 0.046939 -0.115577 -0.103497 32O 2dxy -0.075203 0.013526 -0.030141 -0.018754 0.026760 0.073205 32O 1f0 0.006116 0.009432 -0.002216 -0.001416 0.003682 -0.008941 32O 1f+1 -0.002130 -0.005551 0.000379 -0.000003 -0.004094 0.000661 32O 1f-1 0.012085 0.015406 0.002539 -0.001480 -0.000125 -0.017749 32O 1f+2 -0.002292 -0.002514 0.003920 0.000570 -0.001012 0.006024 32O 1f-2 0.003902 0.011620 0.004458 0.002580 0.005328 -0.003982 32O 1f+3 -0.001793 -0.004227 -0.001827 -0.001045 -0.001372 0.001055 32O 1f-3 -0.001799 -0.006049 -0.003329 -0.000407 -0.002642 0.002790 33O 1s -0.002651 -0.001994 0.000414 0.004832 0.003989 0.003421 33O 2s -0.005167 -0.005793 0.001479 0.012649 0.010353 0.008658 33O 3s -0.021425 0.036276 -0.008622 -0.017082 -0.023469 -0.027187 33O 4s 0.361842 -0.056278 0.016238 -0.153403 -0.082885 -0.155542 33O 5s -1.139615 -1.199706 0.100245 -0.701063 -0.303111 1.472800 33O 1pz 0.009212 0.058218 -0.040269 -0.069716 -0.016049 0.022507 33O 1px 0.075746 0.025692 -0.012274 -0.003829 0.004440 -0.034631 33O 1py -0.007939 0.036525 0.002974 0.032854 -0.088068 -0.021952 33O 2pz -0.076538 -0.161453 0.005027 -0.061221 -0.015639 0.048574 33O 2px -0.086826 0.133928 -0.012429 0.109380 0.039628 0.011054 33O 2py -0.061251 -0.055386 -0.025129 -0.035823 0.044982 0.039428 33O 3pz 0.074899 0.101579 0.002583 -0.781868 -0.245789 0.692510 33O 3px 0.456578 0.400882 0.040133 0.263812 0.198143 -0.920329 33O 3py 0.110049 0.339548 -0.148428 -0.038930 -0.233731 -0.016550 33O 1dz2 -0.001101 -0.004759 -0.000203 0.002669 0.006476 -0.000454 33O 1dxz 0.000750 -0.003888 0.000835 0.002493 -0.001434 -0.002221 33O 1dyz -0.006176 -0.007243 -0.000934 0.004221 0.001627 0.001974 33O 1dx2y2 0.001015 0.004819 -0.001292 0.000430 -0.000965 0.003718 33O 1dxy 0.000270 -0.001869 -0.000232 -0.002253 0.003384 0.005828 33O 2dz2 0.054571 -0.018365 -0.032061 -0.124719 0.036251 0.121795 33O 2dxz 0.103910 -0.000291 -0.003562 0.284160 -0.002798 -0.275548 33O 2dyz -0.200798 -0.091922 -0.054927 0.093174 -0.144857 0.118466 33O 2dx2y2 -0.152398 0.037848 -0.069192 -0.000862 -0.028927 0.142252 33O 2dxy -0.010559 -0.110204 0.034802 -0.103063 0.201688 0.141000 33O 1f0 -0.001771 -0.001379 -0.000010 0.004755 0.001969 -0.000909 33O 1f+1 0.001654 0.000608 0.003096 0.006454 0.001629 0.004779 33O 1f-1 -0.004561 -0.003827 -0.002145 -0.001777 0.000534 -0.004490 33O 1f+2 0.002332 -0.003033 0.001136 -0.004169 -0.005030 -0.001696 33O 1f-2 0.000827 0.003733 -0.000939 0.001698 0.000720 0.004439 33O 1f+3 0.002322 -0.002487 0.000915 -0.004661 0.001875 0.001027 33O 1f-3 0.000817 0.001045 -0.000013 0.000797 -0.000554 0.001216 34O 1s 0.000820 -0.001967 0.008951 -0.004631 -0.000463 0.000313 34O 2s 0.001856 -0.005332 0.022052 -0.011976 -0.001578 0.001014 34O 3s 0.013636 0.019507 -0.009859 0.012965 -0.003759 -0.019395 34O 4s -0.037229 0.133988 -0.578290 0.362196 0.042226 0.008112 34O 5s -2.171235 -0.737760 -0.008445 -0.841552 0.852873 2.176211 34O 1pz 0.074753 0.017237 -0.057275 0.036774 -0.028365 0.004922 34O 1px -0.098541 0.019072 0.003767 -0.012125 0.020379 0.062900 34O 1py -0.029699 0.025117 0.085139 0.043986 0.015637 0.059430 34O 2pz -0.049488 -0.033642 0.077093 -0.049972 0.022818 0.021567 34O 2px -0.190118 0.022948 -0.238391 0.135103 0.121747 0.246207 34O 2py 0.074091 0.005547 -0.067139 -0.035265 -0.059919 -0.160189 34O 3pz 0.239242 0.042217 -0.126491 0.190681 0.041764 -0.330664 34O 3px -1.064199 -0.623130 -0.415884 -0.390168 0.587022 0.791835 34O 3py 0.023429 0.528350 0.423484 -0.022823 -0.006023 0.542408 34O 1dz2 -0.000953 -0.001294 -0.004511 0.001802 -0.001437 0.000126 34O 1dxz -0.000603 0.004098 0.002654 0.002056 -0.000618 0.000498 34O 1dyz 0.000004 0.000589 -0.004431 -0.001079 -0.003155 -0.005101 34O 1dx2y2 -0.000498 -0.004164 -0.000755 -0.004004 -0.000997 -0.007429 34O 1dxy -0.001638 -0.001331 -0.006330 -0.002813 -0.003319 -0.001104 34O 2dz2 0.239551 -0.008703 0.042593 0.174633 -0.135247 -0.110371 34O 2dxz 0.100193 0.068933 -0.060722 0.076745 -0.013369 -0.008074 34O 2dyz -0.036573 0.052220 -0.110764 0.045191 -0.079376 -0.167653 34O 2dx2y2 -0.324282 -0.052790 0.016285 0.062134 0.120717 0.131323 34O 2dxy -0.001961 0.298946 0.047627 0.070386 -0.031616 0.036053 34O 1f0 -0.001308 0.000385 -0.004967 -0.000421 0.000498 0.001057 34O 1f+1 -0.001290 0.001752 0.001691 -0.009341 -0.002547 -0.007238 34O 1f-1 0.000183 0.000764 -0.000606 0.000620 -0.000421 0.002861 34O 1f+2 0.003772 -0.000096 0.000888 -0.001195 -0.002525 -0.001060 34O 1f-2 0.001856 -0.002181 -0.000638 -0.002217 -0.000766 -0.002281 34O 1f+3 0.004944 0.001969 0.012521 0.003984 0.000937 0.000025 34O 1f-3 -0.003306 0.001012 -0.004699 0.001236 0.002166 0.003140 35O 1s 0.003518 -0.004270 0.003146 0.000467 0.004293 -0.002570 35O 2s 0.009630 -0.011129 0.007699 0.001814 0.011057 -0.006066 35O 3s -0.009149 0.024156 0.009279 -0.003734 -0.009520 -0.009606 35O 4s -0.149532 0.312078 -0.242611 -0.048552 -0.280632 0.137740 35O 5s -1.812949 -1.440137 -0.920257 -0.263757 -0.084095 1.249350 35O 1pz 0.066636 -0.001164 -0.000845 0.037120 -0.081869 -0.041118 35O 1px -0.090371 -0.011229 -0.029311 -0.022162 -0.024549 -0.005586 35O 1py 0.004723 0.008861 0.014645 -0.054703 -0.011795 -0.011102 35O 2pz -0.085203 -0.036957 -0.005916 -0.061328 0.059815 0.090878 35O 2px -0.224718 0.055533 -0.182154 -0.066589 -0.098754 0.222903 35O 2py -0.137006 -0.015923 -0.099099 -0.003504 -0.055293 0.131909 35O 3pz 0.032417 -0.124412 -0.069811 0.181934 -0.299058 -0.115157 35O 3px -1.018422 -0.748331 -0.596493 -0.230592 -0.321388 0.442009 35O 3py -0.229049 -0.208547 -0.395506 -0.161624 -0.060899 0.039523 35O 1dz2 -0.000408 0.003043 -0.000550 -0.000928 0.003976 0.004060 35O 1dxz -0.001198 0.002778 0.000682 -0.000717 0.003913 0.000924 35O 1dyz -0.003679 -0.000224 -0.000352 -0.003253 0.001353 0.003452 35O 1dx2y2 0.001288 -0.004011 0.000797 -0.000584 -0.001788 -0.005165 35O 1dxy 0.000143 0.001316 -0.000825 0.000074 0.004245 -0.002786 35O 2dz2 0.134466 0.026684 0.050066 0.159973 0.000204 -0.061243 35O 2dxz 0.034381 -0.157379 -0.003937 0.109279 -0.082148 0.054831 35O 2dyz 0.004464 -0.203752 0.003895 -0.078296 0.077357 0.112823 35O 2dx2y2 -0.349816 -0.140708 -0.097273 -0.036402 -0.140676 -0.037483 35O 2dxy -0.157410 -0.058679 -0.169399 -0.089734 -0.018635 0.037829 35O 1f0 0.002230 -0.001430 0.001269 -0.000503 0.002545 -0.003813 35O 1f+1 0.005862 0.001648 0.004490 -0.006739 0.009854 -0.000665 35O 1f-1 0.000307 0.001331 0.001202 -0.002417 0.003047 0.000417 35O 1f+2 0.002345 -0.002006 0.001249 -0.001467 0.002346 0.001018 35O 1f-2 -0.005354 0.002707 -0.002207 0.003127 -0.001578 0.006556 35O 1f+3 0.001165 0.000398 0.002429 0.002581 0.003517 0.000190 35O 1f-3 0.002740 -0.000832 0.003850 0.001478 -0.002737 -0.012940 390 391 392 393 394 395 2.11518 2.12307 2.12348 2.12797 2.13303 2.14644 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s 0.000919 0.002000 0.000125 -0.003450 0.000662 0.001533 0Rh 2s -0.003795 -0.010976 -0.000691 0.017216 -0.002940 -0.008422 0Rh 3s 0.003087 0.005065 0.000316 -0.009803 0.002099 0.003885 0Rh 4s 0.018671 0.054850 0.003616 -0.086402 0.014512 0.042360 0Rh 5s -0.017968 -0.080199 -0.007596 0.124106 -0.015621 -0.065288 0Rh 6s -0.056154 -0.033930 0.011520 0.048995 -0.036742 -0.007055 0Rh 7s 0.206196 0.175525 -0.151891 -0.175333 0.093313 0.002102 0Rh 8s -0.347166 -0.620141 0.437293 -0.542935 -0.353812 0.081292 0Rh 1pz 0.005476 -0.001083 -0.002562 -0.004126 -0.000502 0.005946 0Rh 1px -0.004122 -0.001709 -0.000135 -0.002333 -0.005572 0.002477 0Rh 1py -0.001255 0.008084 0.002813 -0.010001 -0.000114 -0.003043 0Rh 2pz -0.019126 0.003757 0.008811 0.014512 0.002320 -0.020638 0Rh 2px 0.014179 0.005830 0.000921 0.007763 0.019426 -0.007823 0Rh 2py 0.004298 -0.028263 -0.009320 0.034704 0.000263 0.010604 0Rh 3pz 0.009785 -0.001399 -0.001499 -0.009371 -0.013347 0.007007 0Rh 3px -0.002817 0.000119 -0.010003 0.004044 -0.008980 -0.013664 0Rh 3py -0.000738 0.015193 -0.005573 -0.012040 0.002502 -0.004837 0Rh 4pz 0.088944 -0.018953 -0.053332 -0.059588 0.041016 0.113467 0Rh 4px -0.085725 -0.040993 0.035121 -0.067878 -0.096063 0.109063 0Rh 4py -0.024168 0.124712 0.083196 -0.187589 -0.010877 -0.050999 0Rh 5pz -0.169339 0.024674 0.099807 0.102639 -0.085653 -0.217252 0Rh 5px 0.181131 0.097443 -0.074245 0.128090 0.197938 -0.202750 0Rh 5py 0.045872 -0.217396 -0.145726 0.350213 0.024091 0.090228 0Rh 6pz 0.017899 0.214835 -0.173061 0.560017 0.009053 0.928438 0Rh 6px -0.391745 -0.327300 0.409387 -0.564434 -0.353594 0.762295 0Rh 6py -0.579633 0.643206 0.681740 -0.448709 -0.671976 -0.034371 0Rh 1dz2 0.003367 -0.002463 -0.010537 0.003674 -0.009388 -0.012175 0Rh 1dxz 0.005321 -0.004469 -0.008987 0.009452 0.005296 0.004491 0Rh 1dyz -0.000094 0.001002 0.005242 0.005309 -0.002530 -0.003470 0Rh 1dx2y2 0.003656 -0.000471 0.004756 -0.015506 -0.000481 0.015036 0Rh 1dxy -0.002673 0.003436 -0.002230 -0.010847 -0.006279 0.004496 0Rh 2dz2 -0.000982 0.000042 0.001863 0.000033 0.001058 0.001283 0Rh 2dxz -0.001382 -0.000067 0.001537 0.000022 -0.001338 0.001495 0Rh 2dyz -0.000580 0.000765 0.001886 0.001390 -0.001783 0.001358 0Rh 2dx2y2 0.000633 0.001150 -0.001849 0.001300 0.001180 -0.001800 0Rh 2dxy -0.000324 0.000814 -0.000234 0.001158 -0.000731 0.000084 0Rh 3dz2 -0.004416 0.006203 0.019052 -0.009799 0.020115 0.025935 0Rh 3dxz -0.007892 0.011952 0.016523 -0.024821 -0.008002 -0.018191 0Rh 3dyz 0.002996 -0.006050 -0.022045 -0.019964 0.014695 0.003081 0Rh 3dx2y2 -0.012315 -0.003861 -0.004252 0.034823 -0.003796 -0.031135 0Rh 3dxy 0.008337 -0.012535 0.006976 0.023005 0.019618 -0.012165 0Rh 4dz2 -0.016735 0.000705 0.032429 0.000723 0.012974 0.026548 0Rh 4dxz -0.021079 -0.000943 0.027211 -0.001007 -0.020606 0.014795 0Rh 4dyz -0.011801 0.011007 0.025554 0.016744 -0.029904 0.019571 0Rh 4dx2y2 0.008987 0.019468 -0.027556 0.020298 0.016197 -0.034506 0Rh 4dxy -0.002314 0.010066 -0.005719 0.023168 -0.008110 -0.000441 0Rh 5dz2 0.105176 0.014335 -0.155319 0.029496 -0.017351 -0.191288 0Rh 5dxz 0.118785 0.011736 -0.152951 0.035856 0.115456 0.020669 0Rh 5dyz 0.084631 -0.020653 -0.045469 0.013640 0.185401 -0.056164 0Rh 5dx2y2 -0.056572 -0.115123 0.125011 -0.115557 -0.074626 0.237002 0Rh 5dxy -0.018760 -0.016079 0.061484 -0.155758 0.008658 0.029960 0Rh 1f0 -0.256850 -0.076016 -0.224233 0.049527 -0.010897 0.153725 0Rh 1f+1 0.339938 0.059610 0.147143 0.009836 -0.179885 0.061854 0Rh 1f-1 0.130898 0.029434 0.195600 0.173552 -0.114532 -0.099122 0Rh 1f+2 0.153301 -0.098633 0.092050 0.055495 0.052915 0.066917 0Rh 1f-2 -0.203143 -0.006393 -0.177939 0.015167 0.168267 -0.055803 0Rh 1f+3 -0.242948 -0.216681 -0.263635 -0.016847 0.162358 -0.045592 0Rh 1f-3 -0.138837 0.205862 -0.063354 -0.028044 -0.114908 -0.019763 1Rh 1s 0.000869 0.001530 -0.001366 0.003382 0.000569 -0.001273 1Rh 2s -0.003579 -0.008302 0.007612 -0.016832 -0.002504 0.006325 1Rh 3s 0.002926 0.003930 -0.003390 0.009636 0.001818 -0.003635 1Rh 4s 0.017594 0.041385 -0.038187 0.084484 0.012330 -0.031733 1Rh 5s -0.016651 -0.058623 0.058380 -0.121242 -0.012679 0.044916 1Rh 6s -0.054575 -0.035980 0.009487 -0.048097 -0.034715 0.023313 1Rh 7s 0.194093 0.239599 0.013175 0.169754 0.079013 -0.053682 1Rh 8s -0.353839 -0.742270 0.052659 0.571774 -0.366417 -0.109069 1Rh 1pz -0.005135 -0.001060 -0.002455 -0.004339 0.000664 0.005591 1Rh 1px 0.004277 0.001257 -0.001005 -0.002439 0.005637 0.001350 1Rh 1py 0.000957 -0.004806 0.008251 -0.009585 0.000451 -0.003792 1Rh 2pz 0.017928 0.003634 0.008434 0.015245 -0.002893 -0.019412 1Rh 2px -0.014750 -0.003983 0.003788 0.008115 -0.019685 -0.003888 1Rh 2py -0.003282 0.017128 -0.028444 0.033235 -0.001449 0.013136 1Rh 3pz -0.009091 -0.000304 -0.001207 -0.009474 0.013796 0.006678 1Rh 3px 0.003656 -0.006752 -0.007780 0.004239 0.009841 -0.015464 1Rh 3py 0.000705 -0.015834 0.007009 -0.010968 -0.001747 -0.004300 1Rh 4pz -0.083692 -0.023896 -0.051695 -0.064126 -0.039099 0.106601 1Rh 4px 0.086194 0.055767 0.005998 -0.071068 0.094286 0.089105 1Rh 4py 0.017662 -0.049707 0.158816 -0.182312 0.015960 -0.070651 1Rh 5pz 0.160033 0.052722 0.090479 0.110546 0.082937 -0.205948 1Rh 5px -0.182103 -0.125988 -0.005781 0.134735 -0.194883 -0.162737 1Rh 5py -0.034532 0.087213 -0.278924 0.340905 -0.033572 0.127231 1Rh 6pz -0.045660 -0.236188 0.012307 0.576581 -0.074646 0.978507 1Rh 6px 0.379708 0.517524 0.140363 -0.587703 0.341490 0.710753 1Rh 6py 0.545120 -0.036470 0.975411 -0.383637 0.625079 0.005668 1Rh 1dz2 0.003351 0.005272 0.009253 -0.004203 -0.009890 0.011277 1Rh 1dxz 0.005486 0.002490 0.009727 -0.009096 0.005313 -0.004722 1Rh 1dyz -0.000173 -0.002961 -0.004365 -0.005371 -0.002199 0.001686 1Rh 1dx2y2 0.004124 -0.002964 -0.003830 0.015560 -0.000482 -0.013837 1Rh 1dxy -0.002789 0.003977 -0.001508 0.010452 -0.006464 -0.002538 1Rh 2dz2 -0.000877 -0.001208 -0.001462 0.000013 0.001201 -0.001064 1Rh 2dxz -0.001271 -0.001085 -0.001201 -0.000057 -0.001182 -0.001533 1Rh 2dyz -0.000568 -0.000822 -0.002009 -0.001510 -0.001558 -0.001432 1Rh 2dx2y2 0.000559 0.002092 0.000707 -0.001344 0.001079 0.001835 1Rh 2dxy -0.000381 0.000687 -0.000303 -0.001325 -0.000632 -0.000682 1Rh 3dz2 -0.004834 -0.008288 -0.017493 0.010991 0.020776 -0.024494 1Rh 3dxz -0.008813 -0.001605 -0.019970 0.024036 -0.008735 0.018969 1Rh 3dyz 0.003136 0.011337 0.020334 0.020686 0.012828 0.001956 1Rh 3dx2y2 -0.013189 -0.001503 0.006876 -0.034759 -0.003331 0.027842 1Rh 3dxy 0.008897 -0.013464 0.005157 -0.021237 0.019665 0.009642 1Rh 4dz2 -0.015328 -0.021357 -0.025330 -0.000104 0.015490 -0.024064 1Rh 4dxz -0.019573 -0.019077 -0.021079 0.000545 -0.018430 -0.015484 1Rh 4dyz -0.011436 -0.010565 -0.027870 -0.018999 -0.026806 -0.020911 1Rh 4dx2y2 0.007481 0.032773 0.009331 -0.021216 0.014480 0.034689 1Rh 4dxy -0.003251 0.010067 -0.001022 -0.025446 -0.006784 -0.008173 1Rh 5dz2 0.101075 0.116451 0.109530 -0.031612 -0.028298 0.183766 1Rh 5dxz 0.114826 0.111960 0.112270 -0.033992 0.109372 -0.020848 1Rh 5dyz 0.082178 0.017005 0.054824 0.001503 0.180897 0.066120 1Rh 5dx2y2 -0.048104 -0.168123 -0.027942 0.122327 -0.066197 -0.226123 1Rh 5dxy -0.014167 -0.047396 -0.046547 0.163971 0.005993 0.011597 1Rh 1f0 0.242052 -0.102392 -0.222743 0.044138 0.006388 0.147280 1Rh 1f+1 -0.328098 0.073905 0.158001 0.013256 0.171358 0.065870 1Rh 1f-1 -0.124260 0.126762 0.162613 0.179070 0.106619 -0.082224 1Rh 1f+2 -0.142000 0.142641 -0.004671 0.047198 -0.056193 0.071642 1Rh 1f-2 0.194713 -0.122939 -0.138873 0.014098 -0.159156 -0.042979 1Rh 1f+3 0.228554 -0.034705 -0.349049 -0.034572 -0.150754 -0.034598 1Rh 1f-3 0.130932 -0.197322 0.102783 -0.004326 0.110131 0.034459 2C 1s 0.002125 0.000639 -0.002625 -0.009063 0.002156 0.004329 2C 2s 0.008162 0.001773 -0.010927 -0.035059 0.011345 0.015370 2C 3s -0.037776 -0.032480 0.124549 0.291065 -0.111377 -0.144251 2C 4s -0.074723 0.218104 -0.274875 -0.321713 0.222264 0.330270 2C 5s 0.220364 0.576181 1.256652 2.754561 1.156008 0.669547 2C 1pz 0.050325 -0.085520 0.028853 0.155018 -0.042223 -0.031987 2C 1px -0.105105 -0.085373 -0.043409 -0.083130 -0.167066 0.037934 2C 1py -0.072675 0.175050 0.078004 0.026644 0.058258 -0.062804 2C 2pz -0.175044 0.351390 -0.090339 -0.298052 0.244819 0.161899 2C 2px 0.234560 0.251349 0.135454 0.387158 0.436242 -0.098145 2C 2py 0.128437 -0.318770 -0.222426 0.065935 -0.094480 0.298900 2C 3pz 0.090191 0.029334 0.245721 0.691277 0.240178 0.127063 2C 3px 0.033736 -0.040545 0.033018 -0.043657 0.080454 -0.043216 2C 3py -0.099056 0.340062 0.212656 0.424424 0.207235 0.130228 2C 1dz2 0.005382 -0.018013 0.007645 -0.030688 0.009283 -0.014639 2C 1dxz -0.007621 -0.020264 -0.019949 -0.067120 -0.011287 -0.017439 2C 1dyz 0.010426 0.002986 -0.014356 -0.021487 -0.005607 0.024557 2C 1dx2y2 0.013536 0.004940 0.028846 0.030191 0.017147 -0.000045 2C 1dxy -0.010807 0.028804 -0.019432 -0.041385 -0.011943 0.007603 2C 2dz2 -0.119778 0.227588 -0.007310 -0.059692 0.045240 0.026088 2C 2dxz 0.138423 0.263305 0.129681 0.367056 0.288770 0.050185 2C 2dyz -0.100226 -0.055069 -0.061902 0.049997 -0.105734 0.059726 2C 2dx2y2 -0.101191 0.147899 -0.024095 -0.110211 -0.030510 -0.033070 2C 2dxy 0.123549 -0.101402 0.088237 0.240878 0.111327 -0.035206 2C 1f0 0.015991 -0.013627 0.035726 0.059547 0.009934 -0.007949 2C 1f+1 -0.000014 0.015554 -0.005478 0.000537 -0.001044 0.002765 2C 1f-1 -0.010942 -0.006936 -0.009899 -0.017305 -0.005661 -0.013906 2C 1f+2 0.010866 -0.023449 -0.033618 -0.097546 0.017754 0.014805 2C 1f-2 -0.025782 -0.006992 0.015245 0.058988 -0.037834 -0.023829 2C 1f+3 0.023917 -0.004795 -0.029280 -0.091085 0.033906 0.026357 2C 1f-3 0.010940 0.016902 0.008348 0.018738 0.020452 0.011919 3C 1s 0.001442 0.001889 -0.001265 0.005599 -0.000318 0.004441 3C 2s 0.004908 0.006418 -0.002705 0.020508 -0.003823 0.016788 3C 3s -0.029950 -0.116317 0.037872 -0.191496 0.071742 -0.123202 3C 4s 0.002564 0.470806 -0.205913 0.345610 -0.255751 0.154294 3C 5s -0.190150 0.020492 -0.931644 -0.368164 -0.836700 -0.653080 3C 1pz 0.067336 0.069928 -0.031906 -0.129339 -0.061860 -0.041194 3C 1px 0.001860 0.097176 0.088509 -0.040566 -0.039866 0.003827 3C 1py 0.044129 0.124625 -0.011057 0.018991 -0.080144 0.017904 3C 2pz -0.178276 -0.039024 -0.001514 0.397791 0.100409 0.120885 3C 2px 0.014028 -0.246186 -0.276258 0.120557 0.096214 -0.091847 3C 2py -0.088806 -0.464822 0.107555 -0.033475 0.339684 -0.091089 3C 3pz 0.085757 0.175024 -0.207359 -0.054805 -0.089549 -0.133605 3C 3px 0.007047 0.146433 0.065386 -0.150392 -0.222950 -0.084906 3C 3py 0.094515 0.038116 0.209786 0.057425 0.168692 0.152304 3C 1dz2 -0.003158 -0.001152 -0.003735 0.011549 0.008634 -0.027651 3C 1dxz -0.001402 0.020190 0.022226 0.005857 -0.013686 -0.004450 3C 1dyz -0.006530 -0.018081 0.018603 -0.031229 -0.016749 0.000848 3C 1dx2y2 0.015009 0.013741 -0.005933 -0.010080 0.011405 -0.019818 3C 1dxy -0.005044 0.020036 -0.013188 0.000611 -0.002989 -0.017482 3C 2dz2 -0.029504 -0.052833 0.071040 0.070905 0.052727 0.039175 3C 2dxz -0.063593 -0.141733 -0.156549 0.092625 0.079569 0.006272 3C 2dyz 0.077562 0.034849 -0.100226 -0.017812 0.016860 -0.040341 3C 2dx2y2 -0.083718 -0.284233 0.038732 0.062430 0.098503 0.034705 3C 2dxy -0.033735 -0.051200 0.180002 -0.042506 -0.014724 0.098211 3C 1f0 0.009696 0.010441 -0.006484 -0.021741 0.017075 -0.033656 3C 1f+1 0.013839 -0.005509 -0.014861 -0.011568 0.021159 -0.024543 3C 1f-1 -0.012827 -0.027758 -0.002387 -0.021343 0.007008 -0.020958 3C 1f+2 0.017409 -0.003755 0.002856 0.043164 -0.001765 0.043905 3C 1f-2 -0.009712 0.005213 0.009807 0.034643 -0.024053 0.041864 3C 1f+3 0.002166 0.015849 0.011591 0.005057 -0.012240 0.003789 3C 1f-3 -0.005728 0.011484 0.014305 -0.001364 -0.013377 -0.004781 4C 1s -0.001577 -0.007845 0.001400 0.000157 0.004438 -0.012088 4C 2s -0.003214 -0.023755 0.006759 0.004596 0.017550 -0.040005 4C 3s -0.207831 -0.158377 -0.143043 0.006291 -0.266464 -0.003648 4C 4s 1.462213 1.963214 0.452911 -0.352856 0.948327 1.751615 4C 5s 0.632519 0.780106 -0.589605 -1.997422 0.347275 1.270454 4C 1pz -0.015915 0.005219 0.005521 0.035607 -0.025453 0.053409 4C 1px 0.008954 0.118802 0.073253 -0.024546 -0.024247 0.041055 4C 1py 0.030218 -0.021165 -0.028641 0.017675 -0.090342 0.070285 4C 2pz 0.407977 0.673403 -0.012487 -0.372253 0.334590 0.475843 4C 2px -0.205691 -0.188131 -0.415389 0.687750 -0.082349 0.260757 4C 2py 0.014291 0.457210 0.046826 0.047540 0.354086 0.312208 4C 3pz 0.651473 0.792648 0.548993 0.731306 1.674352 1.146145 4C 3px -0.227117 0.169035 -0.197389 0.354169 0.066755 0.317973 4C 3py 0.382737 0.316395 0.299790 0.422691 0.938979 0.641486 4C 1dz2 -0.017253 0.016688 -0.010917 -0.013521 -0.033887 0.017534 4C 1dxz 0.001984 -0.021196 -0.008466 -0.027973 -0.003716 -0.000777 4C 1dyz 0.004129 -0.008324 -0.005708 -0.028401 0.005074 -0.005032 4C 1dx2y2 0.003774 -0.001736 0.010040 0.029172 0.030143 -0.023139 4C 1dxy 0.003564 -0.013702 -0.006936 -0.013810 0.015876 -0.021815 4C 2dz2 -0.115358 0.243269 -0.027707 -0.537873 0.017428 -0.206165 4C 2dxz 0.128453 -0.282464 -0.027502 0.552340 0.204107 -0.233479 4C 2dyz 0.191541 -0.274106 -0.016445 -0.121995 -0.001261 0.012836 4C 2dx2y2 0.228502 0.466425 0.098141 0.218848 0.242353 0.336803 4C 2dxy 0.107337 0.374242 0.124511 0.369826 0.306197 0.144570 4C 1f0 -0.014865 -0.009786 0.027502 0.009346 0.017421 -0.037875 4C 1f+1 -0.010932 -0.003728 0.004434 -0.009519 0.023140 -0.053781 4C 1f-1 -0.006938 -0.015352 0.003756 0.013881 0.007972 -0.006379 4C 1f+2 0.003471 0.012777 0.016905 -0.050278 0.025200 0.003815 4C 1f-2 -0.014020 -0.002327 0.000580 0.017985 -0.000778 0.005039 4C 1f+3 0.017890 -0.008615 -0.007074 -0.029278 -0.009882 -0.007050 4C 1f-3 -0.009795 -0.039140 -0.008449 0.008473 0.025857 -0.014821 5C 1s -0.002302 -0.004967 0.004726 -0.006930 -0.009537 -0.006013 5C 2s -0.006130 -0.016104 0.014346 -0.024402 -0.030948 -0.020526 5C 3s -0.154858 -0.031603 0.243242 0.029781 -0.037580 -0.151480 5C 4s 1.278865 0.979969 -1.970751 0.897786 1.599615 1.761156 5C 5s 0.537028 0.689887 -0.623002 1.182173 0.626811 1.709167 5C 1pz -0.053816 0.020307 -0.018123 0.085693 0.051277 -0.016084 5C 1px 0.103929 -0.113341 -0.004364 -0.119572 0.146643 0.058753 5C 1py -0.003801 -0.047341 0.000530 -0.056504 -0.024293 0.006031 5C 2pz 0.308043 0.241008 -0.226306 -0.137757 0.023152 0.421181 5C 2px -0.069493 0.416066 -0.445542 0.955215 -0.046972 -0.366541 5C 2py -0.271225 -0.449188 0.590242 -0.188820 -0.313566 -0.530929 5C 3pz -0.070300 0.171903 -0.446005 0.102014 -0.560714 0.342049 5C 3px 0.120847 0.180471 -0.424563 0.587332 -0.102282 -0.026509 5C 3py -0.110330 -0.567138 0.901148 -0.409759 0.932834 -0.188021 5C 1dz2 -0.000279 -0.018974 -0.004776 0.002419 0.016746 0.017115 5C 1dxz -0.023046 0.017613 -0.004588 0.019191 -0.011575 0.018221 5C 1dyz -0.004250 0.012527 0.000210 -0.000258 0.005021 -0.000774 5C 1dx2y2 -0.015503 0.007423 0.009190 -0.017361 -0.037224 -0.009919 5C 1dxy 0.022471 -0.019189 0.002017 -0.015871 0.020173 -0.012484 5C 2dz2 -0.206812 -0.416296 0.348840 -0.009387 0.028578 -0.023182 5C 2dxz -0.087205 -0.118817 0.206028 0.020225 -0.148936 -0.264089 5C 2dyz -0.101532 0.073750 -0.044713 -0.014448 -0.142879 -0.256984 5C 2dx2y2 0.017340 0.052784 -0.485747 0.378160 0.212692 0.131240 5C 2dxy 0.135597 0.267624 0.187373 -0.327536 -0.045445 0.289382 5C 1f0 0.012038 -0.009169 0.008959 -0.006949 -0.012699 -0.013289 5C 1f+1 -0.016618 -0.005996 0.016067 0.004256 -0.034186 -0.030024 5C 1f-1 0.016055 -0.022000 0.001430 -0.022593 -0.023221 0.017247 5C 1f+2 -0.005690 0.007586 -0.007921 -0.008211 0.012131 0.032073 5C 1f-2 -0.000154 0.022703 -0.010290 0.004081 -0.002262 0.040719 5C 1f+3 -0.009516 0.007233 0.040035 -0.037270 -0.043095 -0.019322 5C 1f-3 0.015121 0.001050 -0.021530 0.032195 0.032886 0.014502 6C 1s -0.002411 -0.006752 -0.000676 0.006665 -0.009657 0.003183 6C 2s -0.006427 -0.021064 -0.001421 0.023458 -0.031480 0.010858 6C 3s -0.145261 -0.186898 -0.182429 -0.018410 -0.035096 0.195773 6C 4s 1.235703 2.029930 1.015692 -0.930943 1.613925 -1.640475 6C 5s 0.501769 0.863036 0.119223 -1.202746 0.707181 -1.671364 6C 1pz 0.054290 -0.023933 -0.002377 0.086104 -0.052935 -0.023100 6C 1px -0.102734 0.071367 -0.086596 -0.134133 -0.136644 0.041352 6C 1py 0.006694 0.033739 -0.031685 -0.057437 0.027770 0.017896 6C 2pz -0.303082 -0.336892 -0.023902 -0.121482 -0.020056 0.395900 6C 2px 0.067270 -0.553819 -0.045520 0.982993 0.017349 -0.388340 6C 2py 0.251586 0.721293 0.178798 -0.215130 0.309273 -0.490040 6C 3pz 0.074583 -0.423279 -0.228767 0.168723 0.570058 0.416516 6C 3px -0.116405 -0.385873 -0.197704 0.617702 0.095227 -0.018491 6C 3py 0.106201 1.000472 0.297435 -0.532161 -0.955125 -0.294422 6C 1dz2 -0.000502 -0.010586 0.017784 0.000030 0.016936 -0.012182 6C 1dxz -0.023159 0.014702 -0.008830 -0.020746 -0.009670 -0.015427 6C 1dyz -0.003428 0.009660 -0.008600 -0.000634 0.004905 0.002325 6C 1dx2y2 -0.014814 0.000387 -0.013169 0.014466 -0.037044 0.000972 6C 1dxy 0.023316 -0.013759 0.011440 0.018435 0.018689 0.013308 6C 2dz2 -0.207127 -0.545421 0.021880 0.037185 0.035508 0.028926 6C 2dxz -0.078536 -0.226657 -0.090395 -0.014670 -0.143404 0.228949 6C 2dyz -0.094157 0.089420 -0.039961 0.005584 -0.154124 0.257641 6C 2dx2y2 0.016502 0.356851 0.353448 -0.382539 0.204923 -0.066162 6C 2dxy 0.135300 0.077904 -0.336429 0.324718 -0.038700 -0.224751 6C 1f0 -0.012069 0.012570 0.001182 -0.007849 0.013344 -0.013774 6C 1f+1 0.016293 0.015953 0.009704 0.005952 0.034330 -0.024928 6C 1f-1 -0.016278 0.016274 -0.012947 -0.023309 0.023084 0.016930 6C 1f+2 0.006510 -0.010982 -0.002292 -0.008037 -0.012740 0.033072 6C 1f-2 0.000558 -0.023084 0.006222 0.005924 0.000360 0.039414 6C 1f+3 0.009002 0.020407 0.038269 -0.035461 0.043180 -0.012721 6C 1f-3 -0.014024 -0.013728 -0.018443 0.030706 -0.032833 0.007007 7C 1s -0.001743 -0.006686 0.004503 0.000582 0.003462 0.011467 7C 2s -0.003546 -0.022125 0.011999 -0.002133 0.014685 0.037911 7C 3s -0.219422 -0.028344 0.196245 -0.010349 -0.271028 0.034589 7C 4s 1.536325 1.202712 -1.594167 0.272801 1.087298 -1.878058 7C 5s 0.596832 1.117170 -0.074718 1.952503 0.281667 -1.286577 7C 1pz 0.013876 0.000617 0.009168 0.035983 0.017618 0.057243 7C 1px -0.010771 -0.035980 0.140488 -0.013740 0.014493 0.075268 7C 1py -0.028848 0.001504 -0.032758 0.022602 0.083451 0.087327 7C 2pz -0.415824 -0.522852 0.424294 -0.344080 -0.348519 0.419041 7C 2px 0.196928 -0.117699 -0.448427 0.677687 0.074664 0.170361 7C 2py -0.033261 -0.320905 0.325618 0.053460 -0.372275 0.241151 7C 3pz -0.698960 -0.186510 0.899861 0.656237 -1.819463 0.939727 7C 3px 0.218096 -0.240841 -0.035493 0.363487 -0.086811 0.319835 7C 3py -0.413084 -0.015210 0.414591 0.376051 -1.028887 0.523008 7C 1dz2 -0.017822 0.020093 -0.005064 0.010680 -0.033661 -0.021826 7C 1dxz 0.001104 -0.007638 0.021162 0.029667 -0.005725 0.004488 7C 1dyz 0.002758 -0.000214 0.009660 0.029305 0.002810 0.005642 7C 1dx2y2 0.004648 -0.009048 -0.004690 -0.027381 0.030491 0.023468 7C 1dxy 0.002435 -0.004344 0.015683 0.015443 0.013185 0.025960 7C 2dz2 -0.117211 0.226397 -0.166100 0.515083 -0.016537 0.126717 7C 2dxz 0.120573 -0.208362 0.214865 -0.515059 0.209711 0.261467 7C 2dyz 0.178445 -0.184886 0.200811 0.139816 -0.009460 -0.058466 7C 2dx2y2 0.246453 0.272915 -0.369917 -0.226358 0.278300 -0.285825 7C 2dxy 0.131716 0.189886 -0.343358 -0.379037 0.352120 -0.111144 7C 1f0 0.014712 0.025235 0.013522 0.007343 -0.016463 -0.039822 7C 1f+1 0.010901 0.004604 0.001454 -0.010654 -0.019765 -0.056614 7C 1f-1 0.006719 0.014771 -0.007087 0.012282 -0.009273 -0.005689 7C 1f+2 -0.004263 -0.002542 0.020515 -0.050958 -0.023989 0.001025 7C 1f-2 0.014310 0.003993 -0.001191 0.017745 -0.000512 0.007226 7C 1f+3 -0.016378 0.000949 -0.010727 -0.029451 0.012235 -0.009604 7C 1f-3 0.011317 0.023968 -0.035027 0.004334 -0.023269 -0.020456 8C 1s 0.001268 0.001839 -0.000051 -0.005784 0.000064 -0.004831 8C 2s 0.004304 0.005056 -0.001340 -0.021256 -0.002350 -0.018696 8C 3s -0.024567 -0.096675 0.047405 0.203398 0.059593 0.137442 8C 4s -0.006024 0.458380 -0.180718 -0.387796 -0.242879 -0.141018 8C 5s -0.167582 0.675212 0.639966 0.283270 -0.932869 0.641729 8C 1pz -0.070310 -0.081752 0.031084 -0.123821 0.068466 -0.033109 8C 1px -0.004959 -0.010386 0.140494 -0.038892 0.032405 -0.011974 8C 1py -0.042659 -0.094773 0.081517 0.029064 0.075316 0.027292 8C 2pz 0.185624 0.054764 -0.042792 0.394418 -0.115041 0.079297 8C 2px -0.008784 -0.008782 -0.388972 0.114055 -0.071313 -0.066412 8C 2py 0.086989 0.405048 -0.259599 -0.073855 -0.332118 -0.092794 8C 3pz -0.092895 -0.274165 -0.021049 -0.037821 0.107601 -0.157405 8C 3px -0.013130 -0.067963 0.164466 -0.133971 0.225840 -0.077078 8C 3py -0.090913 0.121266 0.175775 0.038381 -0.189139 0.141767 8C 1dz2 -0.002800 0.001511 0.003524 -0.011654 0.007407 0.027351 8C 1dxz -0.002097 -0.001700 -0.031740 -0.006426 -0.012187 0.004588 8C 1dyz -0.006300 -0.024519 -0.003120 0.032080 -0.017203 -0.002063 8C 1dx2y2 0.015399 0.014850 -0.005402 0.010129 0.009636 0.021583 8C 1dxy -0.003638 0.024776 -0.004727 -0.002600 -0.003574 0.017302 8C 2dz2 -0.031785 -0.092703 -0.010168 -0.064607 0.060153 -0.030081 8C 2dxz -0.064564 0.002571 0.227432 -0.091294 0.070446 -0.016900 8C 2dyz 0.077631 0.098624 0.058099 0.012803 0.010253 0.013980 8C 2dx2y2 -0.084086 -0.234206 0.177256 -0.044651 0.099587 -0.041054 8C 2dxy -0.036294 -0.164289 -0.099692 0.050395 -0.002597 -0.093679 8C 1f0 -0.010759 -0.014051 0.003546 -0.021941 -0.015297 -0.036021 8C 1f+1 -0.014694 -0.007500 -0.014656 -0.011348 -0.018581 -0.024240 8C 1f-1 0.012419 0.017423 -0.019977 -0.023138 -0.005107 -0.023124 8C 1f+2 -0.016014 0.007634 -0.003956 0.042867 -0.001656 0.048430 8C 1f-2 0.010475 0.005616 0.008992 0.036876 0.020505 0.047359 8C 1f+3 -0.002077 -0.002871 0.019967 0.005951 0.010805 0.003462 8C 1f-3 0.006019 0.002192 0.020272 -0.000479 0.012915 -0.005720 9C 1s 0.001829 0.002838 0.001461 0.009145 0.001815 -0.004671 9C 2s 0.006957 0.011060 0.006748 0.035531 0.009811 -0.015525 9C 3s -0.026956 -0.126326 -0.070627 -0.295308 -0.096670 0.126551 9C 4s -0.087096 0.362225 0.067994 0.325125 0.202611 -0.202129 9C 5s 0.338749 -0.587423 -1.287646 -2.687000 1.433169 -0.480597 9C 1pz -0.050781 0.094289 -0.040382 0.151161 0.035202 -0.038867 9C 1px 0.104847 0.033925 -0.088947 -0.075789 0.174325 0.058603 9C 1py 0.062989 -0.079127 0.178911 0.034670 -0.060912 -0.059640 9C 2pz 0.170360 -0.345199 0.169679 -0.291181 -0.231294 0.085888 9C 2px -0.238675 -0.084201 0.268245 0.370021 -0.464208 -0.166866 9C 2py -0.107519 0.100023 -0.392397 0.051174 0.090493 0.230997 9C 3pz -0.111657 0.188809 0.188196 0.669817 -0.297160 0.074604 9C 3px -0.036509 0.056004 -0.005777 -0.050360 -0.079626 -0.047260 9C 3py 0.070369 -0.084693 0.383217 0.427949 -0.258326 0.098833 9C 1dz2 0.004401 -0.015245 0.006092 0.031673 0.007382 0.014646 9C 1dxz -0.010358 0.001331 0.027862 0.067922 -0.017628 0.020508 9C 1dyz 0.009008 0.013197 0.008544 0.021603 -0.005905 -0.027273 9C 1dx2y2 0.014919 -0.017750 -0.023587 -0.029701 0.020374 0.000194 9C 1dxy -0.010505 0.035829 -0.007156 0.038138 -0.013488 -0.007893 9C 2dz2 -0.111284 0.175361 -0.149007 0.050232 0.042235 -0.015944 9C 2dxz 0.152291 0.095546 -0.269590 -0.363700 0.324947 -0.018712 9C 2dyz -0.100321 -0.006398 0.082022 -0.055320 -0.104093 -0.036712 9C 2dx2y2 -0.097915 0.135782 -0.092885 0.097799 -0.037233 0.012350 9C 2dxy 0.120775 -0.141747 0.010130 -0.222903 0.123261 0.060067 9C 1f0 -0.017026 0.037813 0.016260 0.058327 -0.014239 -0.006409 9C 1f+1 -0.000636 -0.014418 0.008033 0.003744 0.000335 0.003525 9C 1f-1 0.011185 -0.002811 -0.012320 -0.018189 0.008085 -0.019546 9C 1f+2 -0.007874 -0.012827 -0.040927 -0.101640 -0.011631 0.009647 9C 1f-2 0.023751 0.020243 0.005817 0.058114 0.035306 -0.020499 9C 1f+3 -0.019394 -0.022717 -0.025165 -0.092316 -0.027072 0.018080 9C 1f-3 -0.012460 -0.007419 0.016805 0.015178 -0.024612 0.013764 10H 1s -0.010686 0.048244 0.122583 0.316960 -0.036191 0.000683 10H 2s 0.079419 -0.078069 -0.186706 -0.534175 0.157517 0.129569 10H 3s 0.030706 0.063457 0.026792 0.143315 -0.041397 0.014159 10H 1pz -0.026709 -0.092250 -0.013577 -0.022222 -0.097356 0.056747 10H 1px -0.097694 -0.045076 -0.027035 -0.044248 -0.150567 0.022597 10H 1py -0.091688 0.108475 0.008084 -0.059648 -0.016656 0.018850 11H 1s -0.023413 -0.068335 0.048273 0.093809 -0.041347 -0.088648 11H 2s 0.043019 0.084133 -0.076113 -0.303726 0.192128 0.020761 11H 3s 0.062133 -0.279629 -0.144440 -0.222114 -0.061953 -0.112454 11H 1pz 0.051695 0.079696 0.078673 0.107243 0.149562 -0.045376 11H 1px -0.091512 -0.001273 -0.019260 -0.082103 -0.087653 0.012900 11H 1py -0.056481 0.201190 0.055805 0.060497 0.077300 0.000568 12H 1s -0.068000 0.031729 -0.008344 0.073768 -0.085487 -0.056715 12H 2s 0.127170 -0.031688 -0.118891 -0.207181 0.127903 0.181843 12H 3s -0.166908 0.193953 -0.121890 -0.305132 -0.057971 -0.080087 12H 1pz 0.084839 -0.128606 0.001129 0.156302 -0.018688 0.018078 12H 1px -0.086914 -0.086395 -0.048361 -0.050849 -0.158182 0.056508 12H 1py 0.036606 0.071203 0.005915 0.054316 0.064527 0.019860 13H 1s 0.032296 -0.031682 -0.068787 -0.071073 0.106449 -0.111280 13H 2s -0.066184 0.142352 0.035152 0.262383 -0.168372 0.253865 13H 3s 0.069756 -0.012763 -0.116817 0.023370 0.180064 -0.001718 13H 1pz 0.033363 0.114957 -0.004311 -0.014412 -0.057373 -0.002208 13H 1px 0.016348 0.061950 0.064801 -0.035670 -0.005939 -0.005293 13H 1py 0.051036 0.037702 -0.038517 -0.037275 -0.042241 -0.048361 14H 1s -0.015136 0.065253 0.025103 -0.067266 -0.018310 -0.076353 14H 2s 0.062713 -0.111702 -0.031472 0.198072 0.044330 0.104438 14H 3s 0.080873 0.292250 0.149518 -0.067007 -0.092889 -0.014356 14H 1pz 0.035231 0.008407 -0.071935 -0.019931 -0.011569 -0.039569 14H 1px -0.001223 -0.005149 0.042239 0.027192 0.020405 0.000058 14H 1py 0.067060 0.127721 0.053695 -0.081243 -0.087680 0.004184 15H 1s -0.046989 -0.053217 0.014459 -0.082005 -0.011936 -0.047994 15H 2s 0.081409 0.028807 0.055561 0.047017 -0.109482 0.137890 15H 3s -0.086454 -0.105602 0.128125 0.051965 -0.000753 0.019514 15H 1pz 0.055085 0.115583 -0.076337 -0.063585 -0.053979 -0.062645 15H 1px 0.034864 0.099000 0.041159 -0.046369 -0.040906 -0.003649 15H 1py -0.030388 0.005053 0.036539 0.069026 0.044992 0.003470 16H 1s -0.028847 0.102110 -0.058691 0.073436 0.017806 -0.093668 16H 2s 0.086542 -0.312884 0.190130 -0.233836 -0.047632 0.338055 16H 3s 0.006174 0.156926 -0.136830 0.181079 0.021353 -0.256419 16H 1pz 0.032791 -0.090686 0.056586 -0.027214 -0.042896 0.070462 16H 1px -0.058092 0.024262 0.074130 -0.035052 0.101173 0.320549 16H 1py -0.068025 -0.055832 0.126659 -0.097332 0.057844 0.376561 17H 1s -0.048341 0.102283 -0.058940 0.087199 -0.057534 -0.024928 17H 2s 0.164468 -0.297614 0.181950 -0.289684 0.174107 0.065350 17H 3s 0.009902 0.141263 -0.128572 0.216941 0.018032 0.040672 17H 1pz -0.005012 0.030031 -0.045015 0.109652 0.075736 0.078696 17H 1px -0.139843 0.131032 0.041734 -0.101553 -0.290870 -0.154914 17H 1py -0.056871 -0.015970 0.132479 -0.257760 -0.150761 -0.122510 18H 1s -0.046626 0.111843 -0.026596 -0.095238 -0.053778 0.047490 18H 2s 0.160987 -0.329177 0.069023 0.312533 0.162572 -0.129319 18H 3s 0.010314 0.182260 0.003634 -0.223335 0.026073 -0.024437 18H 1pz 0.000505 -0.051720 -0.015734 0.116583 -0.085166 0.093179 18H 1px 0.141557 -0.069966 0.132466 -0.085345 0.296448 -0.202600 18H 1py 0.060835 0.087785 0.097197 -0.255182 0.160764 -0.145786 19H 1s -0.027238 0.114984 -0.021367 -0.077550 0.018200 0.132317 19H 2s 0.080552 -0.358882 0.059236 0.249368 -0.048079 -0.447211 19H 3s 0.008055 0.204639 0.008600 -0.192158 0.018627 0.290481 19H 1pz -0.030422 0.103825 -0.017232 -0.025292 0.042909 0.116084 19H 1px 0.047948 0.035833 0.077837 -0.040465 -0.114554 0.274519 19H 1py 0.058324 0.132085 0.063883 -0.105188 -0.072692 0.372704 20H 1s -0.046000 -0.044641 0.021956 0.084943 -0.016359 0.051123 20H 2s 0.079528 -0.020617 -0.059539 -0.053126 -0.097470 -0.167786 20H 3s -0.091027 -0.169425 -0.017189 -0.046554 0.009527 -0.044254 20H 1pz -0.056614 -0.140901 0.028072 -0.053706 0.060504 -0.055398 20H 1px -0.036806 -0.044463 0.106310 -0.043758 0.036903 -0.014671 20H 1py 0.031623 0.026131 0.029259 0.065883 -0.049719 -0.005841 21H 1s -0.013627 0.034030 -0.071006 0.064350 -0.021389 0.083104 21H 2s 0.056135 -0.073437 0.115669 -0.191700 0.050240 -0.120502 21H 3s 0.084408 0.112904 -0.327217 0.056137 -0.081510 0.020366 21H 1pz -0.034604 -0.057931 -0.049555 -0.015516 0.018311 -0.023209 21H 1px 0.001125 0.036042 0.029308 0.022878 -0.024051 -0.013290 21H 1py -0.068120 -0.059037 0.134957 -0.074593 0.084087 0.008726 22H 1s 0.036760 0.032334 0.070952 0.076025 0.095533 0.123426 22H 2s -0.073446 0.059811 -0.111627 -0.280215 -0.145286 -0.279401 22H 3s 0.070220 0.074724 0.101995 -0.016920 0.173704 0.015953 22H 1pz -0.035019 -0.087285 0.079696 -0.006869 0.055285 0.000790 22H 1px -0.017509 0.000056 0.097683 -0.036854 0.001160 -0.020190 22H 1py -0.050189 -0.055968 -0.001575 -0.032461 0.045696 -0.031485 23H 1s -0.062772 0.020497 -0.016675 -0.079777 -0.083370 0.051745 23H 2s 0.110875 0.070600 0.110784 0.212441 0.116726 -0.165835 23H 3s -0.164969 0.243861 -0.047495 0.286214 -0.078747 0.065931 23H 1pz -0.082174 0.108551 -0.091470 0.147255 0.009810 0.002526 23H 1px 0.088694 0.033613 -0.092920 -0.044692 0.163307 0.069581 23H 1py -0.037098 -0.045296 0.051517 0.054880 -0.067967 0.012180 24H 1s -0.021604 -0.091246 0.012692 -0.090729 -0.041072 0.089173 24H 2s 0.036378 0.140382 -0.005079 0.307133 0.174608 -0.006784 24H 3s 0.041232 -0.102264 0.301060 0.233400 -0.097430 0.106726 24H 1pz -0.057809 -0.002912 0.109114 0.102260 -0.158807 -0.063524 24H 1px 0.089635 -0.014812 -0.012615 -0.075111 0.093398 0.025445 24H 1py 0.046774 -0.110796 0.179987 0.068532 -0.085420 0.000375 25H 1s 0.000549 -0.066675 -0.122444 -0.321437 -0.010810 -0.025071 25H 2s 0.061117 0.107898 0.194309 0.547357 0.122896 -0.085246 25H 3s 0.031220 0.022627 -0.058422 -0.147923 -0.034082 -0.025773 25H 1pz 0.027717 0.060679 -0.073076 -0.022562 0.096870 0.062227 25H 1px 0.096737 0.018589 -0.047815 -0.036448 0.154457 0.040115 25H 1py 0.086726 -0.078408 0.083734 -0.050564 0.018759 0.030208 26O 1s -0.000716 0.000270 0.002217 0.008115 0.000434 -0.001667 26O 2s -0.001876 0.001540 0.006297 0.020186 0.001088 -0.004084 26O 3s 0.006655 -0.008783 -0.018194 -0.009657 -0.004997 0.021413 26O 4s 0.054984 0.082406 -0.123130 -0.576861 0.036388 0.033010 26O 5s -1.016599 -1.358096 0.404981 -0.047559 -1.359185 -1.662859 26O 1pz -0.055528 0.053435 0.028527 0.031502 -0.034235 0.004680 26O 1px 0.027733 0.082710 -0.003502 -0.012181 0.034264 0.079385 26O 1py 0.034742 -0.007694 0.050229 0.072149 -0.003322 0.019047 26O 2pz 0.074242 0.015689 -0.021474 -0.069087 0.058073 0.076435 26O 2px 0.082598 0.028169 0.017757 0.244810 0.117471 0.080633 26O 2py 0.029063 0.067105 -0.030632 -0.011103 0.073959 0.067953 26O 3pz -0.509759 0.019691 0.120190 0.101363 -0.654233 0.070102 26O 3px 0.336938 0.867917 -0.056142 0.270549 0.357293 0.955998 26O 3py -0.011433 0.260463 -0.111546 0.371979 -0.154177 0.574148 26O 1dz2 -0.004329 0.000573 0.000491 -0.001510 -0.007151 -0.002244 26O 1dxz 0.000690 0.004741 0.002504 0.003673 -0.001426 -0.000192 26O 1dyz -0.002056 0.000756 0.000936 0.008803 -0.002913 -0.001307 26O 1dx2y2 0.002957 -0.001646 -0.000920 -0.002872 0.002232 -0.005312 26O 1dxy -0.001691 -0.002608 0.000010 0.005404 0.004090 -0.002673 26O 2dz2 0.006454 -0.019137 -0.005725 0.089769 -0.148931 0.171774 26O 2dxz 0.177517 -0.047792 -0.005939 0.015223 0.146401 -0.060722 26O 2dyz -0.047268 0.005079 0.039986 0.146118 0.027064 -0.040152 26O 2dx2y2 -0.013926 -0.257513 -0.061909 -0.011266 -0.084903 -0.242491 26O 2dxy -0.107624 -0.251508 0.037212 -0.033408 0.035306 -0.254596 26O 1f0 -0.000008 -0.000857 0.002169 0.003829 0.000134 0.003514 26O 1f+1 0.001857 -0.008072 -0.002258 -0.001122 -0.002714 0.001525 26O 1f-1 0.000063 -0.003532 -0.000063 -0.006283 -0.001223 0.005805 26O 1f+2 -0.000124 -0.003269 0.000343 0.002874 -0.002546 -0.001379 26O 1f-2 0.000885 0.001133 0.000005 -0.005478 0.003745 -0.001755 26O 1f+3 -0.000574 -0.001381 -0.000025 -0.005367 -0.002225 -0.001091 26O 1f-3 -0.001529 0.008012 0.002030 -0.005833 -0.002153 -0.002735 27O 1s -0.000633 0.001905 -0.003850 0.002755 0.001017 -0.000719 27O 2s -0.000925 0.004422 -0.010055 0.006366 0.003510 -0.000881 27O 3s -0.009165 0.000716 0.000043 0.019138 -0.011100 -0.010071 27O 4s 0.147447 -0.027428 0.244328 -0.241607 0.020831 0.134860 27O 5s -0.788977 -1.191698 1.567498 -1.454172 -0.540665 -0.665363 27O 1pz -0.021056 -0.046965 0.000540 -0.042222 0.016569 -0.012456 27O 1px 0.042623 0.028134 -0.055193 0.020630 0.055519 0.033691 27O 1py -0.025507 -0.049930 -0.021844 0.075947 0.015376 0.012848 27O 2pz 0.023482 0.045062 0.021253 0.002552 -0.021255 0.046238 27O 2px -0.035027 0.128099 -0.250979 0.252651 -0.019943 -0.008985 27O 2py -0.000704 -0.018164 0.097922 -0.116972 -0.018046 -0.054181 27O 3pz -0.049694 -0.139307 -0.039927 0.028197 0.166565 -0.097266 27O 3px 0.652642 0.365486 -1.011235 0.937411 0.848537 0.471450 27O 3py -0.059307 0.022292 0.017436 -0.133094 -0.335600 -0.221690 27O 1dz2 0.001097 -0.002349 -0.003176 0.001210 0.003456 -0.000032 27O 1dxz 0.004324 -0.001817 0.001413 -0.000391 0.001511 -0.002533 27O 1dyz 0.000465 -0.000482 -0.001471 -0.000273 0.001844 0.004630 27O 1dx2y2 -0.001969 0.000626 -0.002567 0.003616 -0.004635 -0.002515 27O 1dxy -0.000267 -0.002157 0.002128 0.001117 -0.001738 0.002137 27O 2dz2 0.170696 0.130785 -0.215287 0.046016 0.138671 0.080242 27O 2dxz 0.101820 -0.020487 0.023719 0.018892 -0.007622 0.011515 27O 2dyz 0.045110 -0.045120 -0.026950 0.009597 0.082625 0.070560 27O 2dx2y2 -0.105026 -0.026295 0.211675 -0.209872 -0.315068 -0.137901 27O 2dxy 0.046034 0.037690 -0.011452 0.033298 0.070918 0.102886 27O 1f0 0.002418 -0.000790 -0.000820 -0.001309 0.001515 -0.003732 27O 1f+1 0.004786 0.000748 0.004195 -0.011747 0.001218 0.001149 27O 1f-1 -0.001474 -0.000721 -0.002534 0.002537 -0.001525 -0.002203 27O 1f+2 -0.001085 -0.001414 0.002338 -0.001638 -0.002385 -0.002870 27O 1f-2 0.002221 -0.004709 0.001251 -0.002612 0.003071 -0.002483 27O 1f+3 -0.000825 -0.006913 0.002776 -0.000188 0.003487 0.002322 27O 1f-3 -0.001665 0.010625 -0.002509 0.002009 -0.004880 0.000505 28O 1s 0.001038 0.004254 0.003643 0.001616 -0.000916 0.002867 28O 2s 0.002647 0.010631 0.009161 0.004760 -0.002655 0.008328 28O 3s -0.003775 -0.006279 -0.012994 -0.047673 0.001907 -0.022852 28O 4s 0.094046 -0.140203 -0.123553 0.218742 0.204792 -0.016807 28O 5s -1.331335 -1.650313 -0.274320 1.009717 -1.420031 -1.267644 28O 1pz 0.050220 0.016875 0.024283 0.126600 0.055466 -0.004814 28O 1px -0.014715 -0.055944 0.019106 0.076229 -0.011363 -0.055029 28O 1py -0.016580 0.064041 0.018156 0.067872 0.027871 -0.039339 28O 2pz 0.037993 0.175860 0.010912 -0.230505 0.003542 0.115344 28O 2px -0.039662 -0.146979 -0.083597 0.158426 0.009842 -0.044088 28O 2py 0.035518 -0.003655 0.007073 -0.053699 0.017227 0.046176 28O 3pz 0.424929 0.211151 0.361672 -0.197217 0.092108 0.483610 28O 3px -0.565620 -0.820047 -0.085745 0.656079 -0.612948 -0.718785 28O 3py -0.101712 0.307900 0.039475 0.065945 -0.105654 0.175235 28O 1dz2 0.005081 0.001209 0.005417 0.004802 0.005127 -0.004865 28O 1dxz 0.000189 -0.004524 0.002209 0.002295 -0.000349 -0.001296 28O 1dyz 0.001613 0.001358 0.002961 0.010248 0.005160 0.000984 28O 1dx2y2 -0.002406 -0.001458 0.003021 -0.002642 -0.003124 -0.001514 28O 1dxy 0.001429 0.002137 0.000029 -0.000263 0.000099 -0.000520 28O 2dz2 -0.037128 0.079145 -0.005527 -0.155427 0.008760 -0.079795 28O 2dxz 0.136672 0.065898 0.058853 -0.059358 -0.004178 0.193063 28O 2dyz -0.045840 -0.174388 -0.041387 0.014980 -0.060008 -0.040757 28O 2dx2y2 -0.098877 -0.225940 0.072443 0.193273 -0.112738 -0.129161 28O 2dxy -0.036677 0.279631 0.034136 0.025867 0.021903 0.013414 28O 1f0 -0.005224 -0.000762 -0.003879 0.000032 -0.003009 0.003664 28O 1f+1 -0.003223 -0.008315 -0.003624 0.000789 -0.000534 -0.000296 28O 1f-1 0.000351 0.003613 -0.000323 -0.005376 -0.003411 0.003497 28O 1f+2 0.003947 0.007254 0.003633 -0.001747 0.006402 -0.000132 28O 1f-2 -0.001349 -0.001530 -0.002673 -0.000512 -0.000990 -0.001220 28O 1f+3 0.000461 0.002624 0.001256 -0.003774 -0.001133 0.002325 28O 1f-3 -0.000855 0.001722 -0.000506 -0.002982 -0.001953 -0.000675 29O 1s -0.001973 0.001666 -0.002091 0.003929 -0.001270 -0.003961 29O 2s -0.007313 0.008247 -0.007797 0.013320 -0.004784 -0.013336 29O 3s 0.065146 -0.113391 0.078739 -0.110260 0.042646 0.104854 29O 4s -0.192552 0.338095 -0.149601 0.172759 -0.138500 -0.158704 29O 5s 0.205190 0.119693 -0.302776 0.433620 0.226628 -0.305551 29O 1pz 0.005753 0.014870 -0.003377 0.006162 0.037411 -0.015300 29O 1px 0.002631 -0.040889 0.011107 0.008163 0.014410 -0.000719 29O 1py -0.014988 0.023906 -0.042281 0.074728 -0.020848 -0.045048 29O 2pz -0.032871 -0.048475 0.058953 -0.007171 -0.083857 0.221903 29O 2px -0.026720 0.089066 -0.092227 0.133951 -0.031234 -0.049003 29O 2py 0.055894 -0.137321 0.114516 -0.169872 0.043327 0.103591 29O 3pz 0.029952 0.020273 -0.081709 0.052833 -0.021138 -0.235204 29O 3px -0.071236 -0.061978 0.169832 -0.258490 -0.078308 0.133239 29O 3py 0.115440 -0.053256 -0.098311 0.115155 0.096224 -0.025979 29O 1dz2 -0.001105 0.000572 0.001873 -0.000823 0.000110 0.006021 29O 1dxz 0.000317 0.000506 0.001089 -0.004049 0.001035 -0.001981 29O 1dyz -0.000454 0.000482 0.000954 0.000487 -0.000400 0.001222 29O 1dx2y2 -0.002365 -0.001025 -0.000183 0.000481 -0.001391 -0.004494 29O 1dxy -0.000197 -0.000744 -0.001646 0.001908 0.000305 -0.001195 29O 2dz2 -0.005836 0.042213 -0.014007 -0.012753 -0.136349 -0.193608 29O 2dxz -0.032943 -0.007563 0.069487 -0.012166 0.155818 0.382654 29O 2dyz 0.021394 -0.045500 0.011696 0.054433 0.203680 0.270612 29O 2dx2y2 0.145389 -0.061950 -0.188636 0.291741 0.223988 -0.060701 29O 2dxy -0.027644 0.033832 0.007358 -0.007328 -0.003317 0.049610 29O 1f0 0.005179 -0.013030 0.006678 -0.007585 0.001805 0.008034 29O 1f+1 -0.003372 0.005758 -0.001363 0.003949 -0.001115 0.003235 29O 1f-1 0.001584 -0.014246 0.012204 -0.013038 -0.002405 0.018371 29O 1f+2 -0.001958 0.005291 -0.001795 -0.000486 -0.002061 -0.007168 29O 1f-2 0.005023 -0.009530 0.006480 -0.011804 0.006693 -0.001208 29O 1f+3 -0.000578 0.002872 -0.001973 0.003964 -0.000897 0.002807 29O 1f-3 -0.002208 0.004391 -0.002244 0.006022 -0.003808 0.001107 30O 1s 0.003416 -0.002472 -0.001044 -0.005491 0.003033 0.001300 30O 2s 0.008800 -0.005838 -0.002941 -0.012987 0.007590 0.003154 30O 3s -0.011976 0.005888 0.003769 0.002343 -0.000444 0.022847 30O 4s -0.113151 0.171352 -0.022384 0.363518 -0.149775 -0.196381 30O 5s -0.768722 -1.219066 0.975793 -0.352047 -0.331574 -1.529413 30O 1pz 0.011292 0.072528 -0.009144 0.001190 -0.024947 -0.016645 30O 1px -0.018726 -0.041158 0.014108 -0.058613 -0.029026 -0.059264 30O 1py 0.000765 0.027238 0.070903 -0.010515 -0.025363 0.033328 30O 2pz 0.085155 -0.033412 -0.079020 -0.047471 0.099538 0.166458 30O 2px -0.099265 0.022474 0.020152 0.173676 -0.073054 -0.139243 30O 2py -0.101666 -0.078866 0.048828 0.003812 -0.076535 -0.179013 30O 3pz 0.191368 0.529131 -0.349209 -0.066435 0.078015 0.421647 30O 3px -0.321782 -0.629131 0.424716 -0.221023 -0.182847 -0.754855 30O 3py 0.016279 0.048852 0.324079 0.014934 -0.292993 -0.659477 30O 1dz2 0.000749 0.003299 -0.000787 0.005274 -0.002891 -0.002292 30O 1dxz -0.002827 0.005185 -0.000336 0.001825 -0.001610 -0.002003 30O 1dyz -0.001314 0.000168 -0.000522 0.005999 0.000532 0.004829 30O 1dx2y2 0.002612 0.000215 0.002854 0.003117 0.000520 -0.000954 30O 1dxy 0.002151 0.004239 0.001976 -0.000619 0.000625 0.002598 30O 2dz2 -0.009410 -0.032796 -0.043664 0.166242 0.018687 0.041464 30O 2dxz 0.093282 0.332767 -0.124215 0.019442 0.021259 0.122872 30O 2dyz 0.013852 0.140985 -0.165343 0.128167 0.082468 0.145342 30O 2dx2y2 -0.033046 -0.073593 -0.007787 -0.029979 -0.008245 -0.094333 30O 2dxy 0.022034 0.089495 0.094032 -0.109059 -0.154328 -0.162265 30O 1f0 -0.006136 0.004353 0.002774 0.001392 -0.005033 -0.006734 30O 1f+1 -0.000094 0.003087 0.000251 -0.001796 0.000223 0.001203 30O 1f-1 -0.001254 0.005175 0.003317 0.001415 -0.005295 -0.003867 30O 1f+2 -0.001910 0.001482 0.002369 -0.002280 -0.003044 -0.000463 30O 1f-2 0.006795 -0.003479 -0.001906 -0.009387 0.004582 0.003255 30O 1f+3 -0.002207 0.001572 0.001847 0.002992 -0.003971 0.002707 30O 1f-3 0.001523 -0.000564 -0.004018 -0.006618 0.001449 0.003756 31O 1s 0.003374 -0.000790 0.002600 0.005835 0.002674 -0.001096 31O 2s 0.008698 -0.001524 0.006545 0.013847 0.006729 -0.002598 31O 3s -0.012510 0.000968 -0.006868 -0.003217 0.000433 -0.021102 31O 4s -0.106369 0.128297 -0.098981 -0.386626 -0.133279 0.159233 31O 5s -0.747257 -1.557416 -0.033722 0.450931 -0.356266 1.510462 31O 1pz -0.012717 -0.059661 0.044507 0.005276 0.024628 -0.019594 31O 1px 0.017722 0.036522 -0.012166 -0.060143 0.033640 -0.055561 31O 1py -0.000707 0.029795 0.073749 -0.011108 0.020084 0.031695 31O 2pz -0.080398 -0.031231 -0.092762 -0.051509 -0.096927 0.155222 31O 2px 0.095335 0.004641 0.035795 0.179277 0.066321 -0.126326 31O 2py 0.097226 0.089590 -0.007385 0.003230 0.079484 -0.160990 31O 3pz -0.185287 -0.630558 0.082824 -0.035759 -0.072911 0.378315 31O 3px 0.309927 0.742448 -0.049356 -0.271448 0.203674 -0.758105 31O 3py -0.021411 0.189474 0.316347 0.022296 0.285953 -0.587888 31O 1dz2 0.000736 0.002643 -0.001761 -0.005595 -0.002737 0.002635 31O 1dxz -0.002899 0.003909 -0.003341 -0.002182 -0.001570 0.001829 31O 1dyz -0.001426 0.000004 0.000392 -0.005928 0.001084 -0.004196 31O 1dx2y2 0.002512 -0.002084 -0.002393 -0.002873 0.000754 0.001353 31O 1dxy 0.002047 0.001748 -0.004261 0.000542 0.000852 -0.002512 31O 2dz2 -0.014032 -0.004250 0.067131 -0.169258 0.024636 -0.046315 31O 2dxz 0.090893 0.328403 -0.129858 -0.036962 0.024702 -0.110426 31O 2dyz 0.013864 0.211842 0.040989 -0.137226 0.087792 -0.124641 31O 2dx2y2 -0.030781 -0.044862 0.050145 0.034260 -0.016305 0.101097 31O 2dxy 0.023647 0.004694 -0.148458 0.100614 -0.153777 0.126147 31O 1f0 0.005948 -0.001248 0.005482 0.001930 0.004834 -0.005656 31O 1f+1 0.000019 -0.002207 0.002452 -0.001616 -0.000296 0.001314 31O 1f-1 0.001161 -0.001474 0.006332 0.001860 0.005177 -0.003651 31O 1f+2 0.001740 0.000334 0.002853 -0.002009 0.002987 -0.000166 31O 1f-2 -0.006573 0.000735 -0.004259 -0.009755 -0.003977 0.003580 31O 1f+3 0.002222 0.000330 0.002472 0.003179 0.003653 0.002525 31O 1f-3 -0.001376 -0.002702 -0.003662 -0.006488 -0.001059 0.004474 32O 1s -0.001962 0.002509 0.000387 -0.004091 -0.001197 0.004855 32O 2s -0.007223 0.010913 0.000062 -0.013996 -0.004536 0.017060 32O 3s 0.063514 -0.133469 0.019185 0.117731 0.040979 -0.145237 32O 4s -0.185431 0.345316 -0.123649 -0.192248 -0.134432 0.276517 32O 5s 0.199738 0.284176 0.173492 -0.443147 0.226365 0.273063 32O 1pz -0.006020 -0.012742 0.005703 0.003230 -0.037415 -0.025211 32O 1px -0.002488 0.037912 -0.020249 0.005264 -0.014701 0.015151 32O 1py 0.015712 -0.043376 -0.017030 0.077599 0.018951 -0.048497 32O 2pz 0.032465 0.077124 0.020372 0.000808 0.076102 0.261372 32O 2px 0.026582 -0.123565 -0.008063 0.142596 0.029628 -0.066764 32O 2py -0.053961 0.173673 -0.005071 -0.178336 -0.038756 0.140533 32O 3pz -0.021932 -0.068759 -0.054342 0.050911 0.032392 -0.248337 32O 3px 0.069565 0.150525 0.094386 -0.263038 0.077679 0.137060 32O 3py -0.110658 -0.024093 -0.118093 0.109218 -0.090983 -0.001881 32O 1dz2 -0.000927 -0.000817 -0.001786 0.000832 0.000505 -0.006093 32O 1dxz 0.000286 -0.000061 -0.001016 0.004133 0.000815 0.002656 32O 1dyz -0.000523 -0.000403 -0.001117 -0.000588 -0.000308 -0.002021 32O 1dx2y2 -0.002391 -0.000649 0.000726 -0.000413 -0.001520 0.004619 32O 1dxy -0.000244 0.000459 0.001694 -0.001778 0.000163 0.001855 32O 2dz2 -0.012592 0.043037 -0.020278 0.007164 -0.150936 0.204413 32O 2dxz -0.021495 -0.058515 -0.048632 0.020669 0.171828 -0.354225 32O 2dyz 0.032583 -0.042308 0.029104 -0.051790 0.217262 -0.272308 32O 2dx2y2 0.141409 0.074615 0.199535 -0.284768 0.218879 0.014908 32O 2dxy -0.023512 0.017547 -0.030179 0.003307 0.004169 -0.028621 32O 1f0 -0.004832 0.012867 -0.003686 -0.007354 -0.001848 0.011529 32O 1f+1 0.003365 -0.005673 0.003133 0.004943 0.000924 0.001229 32O 1f-1 -0.001692 0.019305 0.000025 -0.014171 0.002143 0.023030 32O 1f+2 0.002084 -0.006187 0.002269 0.000564 0.002415 -0.010549 32O 1f-2 -0.004692 0.010470 -0.001849 -0.012625 -0.006145 -0.000741 32O 1f+3 0.000307 -0.002880 0.000476 0.003720 0.000445 0.002476 32O 1f-3 0.002037 -0.004270 0.001322 0.006559 0.003324 0.001851 33O 1s 0.001315 0.000426 -0.005622 -0.001907 -0.000444 -0.003335 33O 2s 0.003372 0.000999 -0.014095 -0.005523 -0.001398 -0.009711 33O 3s -0.005348 0.006788 0.013879 0.048159 -0.001908 0.027400 33O 4s 0.086876 -0.017113 0.194885 -0.198032 0.206438 0.033357 33O 5s -1.352511 -1.117136 1.260655 -0.985342 -1.492323 1.237225 33O 1pz -0.051519 0.010768 0.024223 0.121959 -0.062924 -0.025015 33O 1px 0.015620 0.058946 -0.025820 0.072309 0.012069 -0.057738 33O 1py 0.010857 -0.033101 0.057939 0.071293 -0.033529 -0.046985 33O 2pz -0.040149 -0.133684 0.128864 -0.215002 -0.003283 0.142163 33O 2px 0.042451 0.055944 -0.161320 0.148108 -0.008883 -0.059760 33O 2py -0.032593 0.004216 0.000426 -0.055177 -0.016119 0.052043 33O 3pz -0.441374 0.077008 0.387084 -0.196711 -0.133736 0.449443 33O 3px 0.581802 0.597754 -0.585677 0.631716 0.641171 -0.736425 33O 3py 0.083753 -0.193235 0.248950 0.094267 0.082839 0.162294 33O 1dz2 0.005314 -0.002896 -0.004598 -0.004398 0.005409 0.005838 33O 1dxz 0.000018 -0.004896 0.001453 -0.001770 -0.000282 0.002407 33O 1dyz 0.001802 -0.001697 -0.002875 -0.009944 0.005929 0.000201 33O 1dx2y2 -0.002578 -0.003036 -0.001364 0.002636 -0.003308 0.000765 33O 1dxy 0.001583 0.001609 -0.001842 0.000154 0.000206 0.000703 33O 2dz2 -0.035723 0.070184 -0.058939 0.146514 -0.000183 0.059770 33O 2dxz 0.138217 0.011673 -0.082463 0.058052 0.011177 -0.168500 33O 2dyz -0.054167 -0.109095 0.147191 -0.006313 -0.068718 0.047782 33O 2dx2y2 -0.102483 -0.228599 0.098997 -0.182322 -0.112356 0.137290 33O 2dxy -0.024949 0.182741 -0.225290 -0.043046 0.034088 0.002074 33O 1f0 0.005209 -0.002027 -0.003187 0.000359 0.002899 0.003969 33O 1f+1 0.003273 0.003608 -0.008493 0.000323 0.000861 -0.000830 33O 1f-1 -0.000323 -0.003144 0.002541 -0.004835 0.003343 0.005154 33O 1f+2 -0.004243 -0.002988 0.007480 -0.001557 -0.006626 0.000212 33O 1f-2 0.001403 -0.000783 -0.003063 -0.000490 0.001226 -0.001471 33O 1f+3 -0.000465 -0.001120 0.002683 -0.003439 0.001007 0.002873 33O 1f-3 0.000905 -0.001770 0.000849 -0.002788 0.002240 -0.000663 34O 1s -0.000539 0.003939 0.001541 -0.002928 0.001022 0.000668 34O 2s -0.000695 0.009929 0.004447 -0.006745 0.003496 0.000691 34O 3s -0.009522 -0.000806 -0.000140 -0.019266 -0.010591 0.014325 34O 4s 0.141332 -0.176471 -0.157109 0.248136 0.022262 -0.152228 34O 5s -0.755399 -1.874370 -0.492105 1.542414 -0.565683 0.622849 34O 1pz 0.019391 0.031911 -0.031091 -0.045249 -0.013089 -0.018098 34O 1px -0.042399 -0.058548 -0.027737 0.020791 -0.054137 0.023576 34O 1py 0.027001 0.025501 -0.055116 0.074667 -0.016431 0.023601 34O 2pz -0.021509 -0.017207 0.045594 0.004939 0.017947 0.049342 34O 2px 0.037003 -0.251596 -0.108103 0.267010 0.015940 -0.008463 34O 2py -0.002232 0.073213 0.069745 -0.120245 0.019954 -0.057876 34O 3pz 0.052300 0.079122 -0.114755 0.008002 -0.157178 -0.140544 34O 3px -0.638705 -0.917544 -0.586342 0.936868 -0.855424 0.395772 34O 3py 0.070390 -0.011087 0.019661 -0.101797 0.348157 -0.106378 34O 1dz2 0.001022 0.000399 0.004164 -0.000966 0.003244 0.000263 34O 1dxz 0.004331 -0.002241 0.000245 0.000654 0.001334 0.003136 34O 1dyz 0.000326 0.000600 0.001732 0.000295 0.001913 -0.005212 34O 1dx2y2 -0.002089 0.001985 0.001558 -0.004094 -0.004696 0.001078 34O 1dxy -0.000493 -0.003273 -0.000069 -0.001012 -0.001610 -0.001985 34O 2dz2 0.167106 0.241515 0.081343 -0.047907 0.133840 -0.060680 34O 2dxz 0.104087 -0.031059 -0.001071 -0.016564 -0.004220 -0.015712 34O 2dyz 0.039296 -0.016072 0.064345 -0.007396 0.082442 -0.089506 34O 2dx2y2 -0.102964 -0.156796 -0.163231 0.199632 -0.315415 0.091566 34O 2dxy 0.046341 0.032179 -0.015722 -0.026054 0.074433 -0.043396 34O 1f0 -0.002387 -0.000162 -0.001243 -0.001376 -0.001225 -0.003584 34O 1f+1 -0.004937 0.001571 0.004053 -0.012058 -0.000850 0.000921 34O 1f-1 0.001478 -0.001083 -0.002388 0.002668 0.001591 -0.002238 34O 1f+2 0.001058 0.002506 0.000920 -0.001664 0.002482 -0.003159 34O 1f-2 -0.002237 0.004081 -0.002354 -0.003048 -0.002764 -0.002968 34O 1f+3 0.001019 0.006988 -0.002901 -0.000711 -0.003344 0.002167 34O 1f-3 0.001735 -0.009236 0.005549 0.002896 0.004465 0.000803 35O 1s -0.000389 -0.001614 -0.001532 -0.008159 0.000911 0.001617 35O 2s -0.001033 -0.003922 -0.004970 -0.020376 0.002375 0.003785 35O 3s 0.005918 0.006739 0.018505 0.010956 -0.006490 -0.015910 35O 4s 0.035801 0.165237 0.023930 0.569250 0.007192 -0.073904 35O 5s -1.038565 -1.312739 0.558698 0.053949 -1.441847 1.537161 35O 1pz 0.049335 -0.017079 0.058433 0.038720 0.029700 0.009497 35O 1px -0.030409 -0.064415 0.054532 -0.007009 -0.040795 0.084634 35O 1py -0.035217 0.044978 0.028439 0.069650 -0.002402 0.022020 35O 2pz -0.069884 -0.030812 -0.007513 -0.074229 -0.056365 0.059659 35O 2px -0.089918 -0.004305 0.020016 0.235360 -0.131377 0.037240 35O 2py -0.033412 -0.076427 0.021156 -0.011355 -0.076396 0.041056 35O 3pz 0.487189 0.077845 0.120047 0.147525 0.635062 0.129410 35O 3px -0.369466 -0.681416 0.526469 0.310404 -0.435826 0.953406 35O 3py -0.001818 -0.243310 0.083889 0.399094 0.115646 0.605483 35O 1dz2 -0.004049 0.000106 -0.001153 0.000908 -0.007131 0.000940 35O 1dxz 0.000945 0.001577 -0.005080 -0.004019 -0.001045 0.000101 35O 1dyz -0.001893 -0.000707 -0.001065 -0.009011 -0.002541 0.000499 35O 1dx2y2 0.002764 -0.000315 0.001848 0.003147 0.001705 0.006503 35O 1dxy -0.001449 -0.001950 0.002113 -0.005017 0.004189 0.003308 35O 2dz2 0.010386 -0.016749 0.016139 -0.097962 -0.133382 -0.180473 35O 2dxz 0.171327 -0.030948 0.038942 -0.001594 0.141913 0.060938 35O 2dyz -0.044215 -0.030093 -0.032860 -0.144895 0.032291 0.040801 35O 2dx2y2 -0.024934 -0.151501 0.224276 0.027616 -0.111017 0.263911 35O 2dxy -0.111112 -0.206377 0.142693 0.049045 0.019213 0.264386 35O 1f0 0.000109 0.002481 0.000964 0.003717 -0.000534 0.003306 35O 1f+1 -0.001298 0.004660 -0.007206 -0.001517 0.002847 0.001737 35O 1f-1 0.000095 0.002339 -0.002283 -0.006491 0.001314 0.005298 35O 1f+2 0.000226 0.002892 -0.002152 0.002746 0.002560 -0.000713 35O 1f-2 -0.000911 -0.001386 0.000726 -0.005652 -0.003325 -0.002874 35O 1f+3 0.000795 0.000834 -0.000779 -0.005304 0.002454 -0.000715 35O 1f-3 0.001532 -0.004684 0.007669 -0.005090 0.002054 -0.001345 396 397 398 399 400 401 2.15393 2.16289 2.17103 2.17325 2.18106 2.18617 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s -0.001424 0.003285 -0.001472 -0.002328 0.001068 -0.000227 0Rh 2s 0.011817 -0.014555 0.010813 0.010807 -0.005921 0.001059 0Rh 3s -0.001170 0.010461 -0.002070 -0.007115 0.002673 -0.000689 0Rh 4s -0.060004 0.072940 -0.054744 -0.054297 0.029801 -0.005371 0Rh 5s 0.117332 -0.092592 0.100381 0.073058 -0.045858 0.007907 0Rh 6s -0.103788 -0.095364 -0.062527 0.054278 -0.007661 0.001260 0Rh 7s 0.368271 0.621471 0.326320 -0.268645 0.002421 -0.020861 0Rh 8s 0.076790 -0.424190 0.384006 0.209955 0.118444 -0.048337 0Rh 1pz -0.001371 0.001307 0.000120 0.006533 0.003461 0.001698 0Rh 1px -0.005400 -0.001655 0.002541 0.003715 -0.000679 -0.000498 0Rh 1py -0.002857 -0.002264 0.006219 0.002899 -0.004502 -0.005633 0Rh 2pz 0.004838 -0.004284 -0.000928 -0.022087 -0.012324 -0.006010 0Rh 2px 0.018987 0.005532 -0.008789 -0.013370 0.003365 0.001753 0Rh 2py 0.009475 0.007665 -0.021886 -0.009984 0.015315 0.019738 0Rh 3pz -0.003444 -0.003675 0.011083 -0.004341 0.011464 0.004046 0Rh 3px -0.011475 0.001947 0.002859 0.015203 -0.022508 -0.001309 0Rh 3py 0.006004 0.001735 0.013999 0.001827 0.001545 -0.011120 0Rh 4pz -0.017591 0.042778 -0.038438 0.165267 0.033468 0.026687 0Rh 4px -0.086515 -0.042978 0.045337 0.026987 0.067789 -0.006334 0Rh 4py -0.089989 -0.061532 0.091739 0.059797 -0.109764 -0.088202 0Rh 5pz 0.022947 -0.073656 0.074941 -0.300240 -0.051029 -0.055224 0Rh 5px 0.182387 0.068569 -0.081865 -0.042619 -0.120303 0.016741 0Rh 5py 0.172204 0.124225 -0.165978 -0.112960 0.201339 0.160027 0Rh 6pz 0.373557 -0.248618 -0.466022 0.624973 0.212055 -0.157758 0Rh 6px -0.175867 -0.162394 0.183949 -0.377687 0.575395 -0.244756 0Rh 6py -0.107388 -0.310748 -0.599645 1.000675 -0.445028 0.369061 0Rh 1dz2 0.003400 0.003196 0.005559 0.016790 0.015774 -0.007292 0Rh 1dxz 0.003196 0.000802 -0.000261 -0.003355 -0.016463 0.009250 0Rh 1dyz 0.008639 0.004143 -0.003053 -0.001823 -0.008217 -0.001544 0Rh 1dx2y2 -0.007487 0.004977 -0.014131 -0.004995 0.008966 0.001683 0Rh 1dxy -0.012439 -0.011706 -0.000876 -0.006292 0.011205 0.000727 0Rh 2dz2 -0.001321 -0.002127 -0.000095 0.000537 -0.000176 0.001466 0Rh 2dxz -0.000038 -0.004088 -0.000121 -0.000861 0.001128 0.000232 0Rh 2dyz -0.000619 0.000160 0.000397 0.000133 0.000423 0.000517 0Rh 2dx2y2 0.000211 0.003917 0.001405 -0.001717 -0.003477 -0.000267 0Rh 2dxy 0.002367 0.002399 -0.000762 -0.000013 -0.000049 0.001538 0Rh 3dz2 -0.003359 0.001160 -0.014243 -0.046606 -0.040985 0.012797 0Rh 3dxz -0.008270 0.016131 0.001081 0.012560 0.038186 -0.025475 0Rh 3dyz -0.020008 -0.011486 0.006231 0.004191 0.019897 0.001648 0Rh 3dx2y2 0.018859 -0.030798 0.031125 0.020683 -0.008148 -0.003205 0Rh 3dxy 0.022365 0.019880 0.005669 0.016813 -0.029187 -0.008633 0Rh 4dz2 -0.015355 -0.034193 -0.001438 0.004148 -0.004588 0.022318 0Rh 4dxz -0.000104 -0.060737 0.001849 -0.010583 0.024173 0.000638 0Rh 4dyz -0.009313 -0.001450 0.007456 0.002407 0.005886 0.009314 0Rh 4dx2y2 0.002720 0.061046 0.020091 -0.023291 -0.054222 -0.004808 0Rh 4dxy 0.034719 0.041742 -0.010503 -0.002313 -0.005229 0.019975 0Rh 5dz2 0.050454 0.139309 0.035056 0.060448 0.073483 -0.096075 0Rh 5dxz 0.030705 0.198677 -0.029573 0.041049 -0.197536 0.050420 0Rh 5dyz 0.029692 0.069326 -0.029707 0.007641 -0.011049 -0.023233 0Rh 5dx2y2 -0.067584 -0.187869 -0.117149 0.037241 0.248051 0.023123 0Rh 5dxy -0.191116 -0.208338 0.035663 0.011643 0.083240 -0.052986 0Rh 1f0 -0.046236 0.086353 -0.046171 0.164956 0.272277 0.177912 0Rh 1f+1 0.001065 0.113464 0.090953 0.237296 0.106091 0.322424 0Rh 1f-1 0.068706 -0.024179 -0.079580 -0.203844 0.078700 -0.201825 0Rh 1f+2 0.068372 0.079273 -0.014775 -0.161947 0.027643 -0.107396 0Rh 1f-2 0.071464 0.042317 0.033546 -0.063181 -0.069032 0.009465 0Rh 1f+3 0.101004 0.083197 0.088359 -0.054650 0.161234 -0.047772 0Rh 1f-3 0.234316 0.157675 0.044052 0.241576 -0.248702 0.235548 1Rh 1s -0.001554 -0.003377 -0.001386 0.002353 -0.001023 -0.000246 1Rh 2s 0.012576 0.015180 0.010449 -0.011066 0.005679 0.001244 1Rh 3s -0.001470 -0.010622 -0.001780 0.007102 -0.002558 -0.000688 1Rh 4s -0.063821 -0.076097 -0.052919 0.055615 -0.028585 -0.006304 1Rh 5s 0.123410 0.098154 0.098161 -0.075879 0.043988 0.009723 1Rh 6s -0.103680 0.092768 -0.065228 -0.050855 0.007496 0.000088 1Rh 7s 0.375348 -0.611121 0.342861 0.250085 -0.005929 -0.012163 1Rh 8s 0.062288 0.439388 0.371687 -0.214001 -0.132387 -0.072541 1Rh 1pz 0.002888 0.001136 -0.000198 0.006602 0.003636 -0.001473 1Rh 1px 0.005957 -0.001607 -0.002590 0.003879 -0.000401 0.000421 1Rh 1py 0.002058 -0.002344 -0.006261 0.002906 -0.004817 0.005325 1Rh 2pz -0.010098 -0.003667 0.001177 -0.022335 -0.012929 0.005197 1Rh 2px -0.020789 0.005350 0.008976 -0.013946 0.002404 -0.001403 1Rh 2py -0.006707 0.007958 0.022051 -0.010021 0.016416 -0.018687 1Rh 3pz 0.005215 -0.004407 -0.010695 -0.004099 0.011573 -0.003035 1Rh 3px 0.009336 0.002344 -0.003291 0.015581 -0.022185 -0.000494 1Rh 3py -0.006935 0.001349 -0.014479 0.002104 0.000950 0.011182 1Rh 4pz 0.046153 0.041586 0.035177 0.165931 0.037210 -0.025417 1Rh 4px 0.107345 -0.043256 -0.044945 0.029166 0.072979 0.011202 1Rh 4py 0.075265 -0.062009 -0.090800 0.058946 -0.114663 0.080855 1Rh 5pz -0.076438 -0.071433 -0.069021 -0.301210 -0.057847 0.053146 1Rh 5px -0.220441 0.068920 0.081772 -0.046079 -0.130055 -0.025117 1Rh 5py -0.145953 0.125196 0.163968 -0.111413 0.209758 -0.146530 1Rh 6pz -0.142006 -0.257779 0.447365 0.609967 0.188367 0.194858 1Rh 6px 0.319405 -0.176305 -0.196036 -0.382341 0.566123 0.287399 1Rh 6py 0.102114 -0.289679 0.618253 1.001609 -0.395359 -0.413167 1Rh 1dz2 0.005180 -0.003201 0.005375 -0.017039 -0.015323 -0.007645 1Rh 1dxz 0.002430 -0.000645 -0.000269 0.003229 0.015688 0.009990 1Rh 1dyz 0.009133 -0.004246 -0.002735 0.001677 0.008432 -0.000883 1Rh 1dx2y2 -0.009645 -0.005421 -0.014241 0.005422 -0.008798 0.001187 1Rh 1dxy -0.012811 0.011498 -0.001344 0.006524 -0.011494 -0.000262 1Rh 2dz2 -0.001573 0.002133 -0.000155 -0.000471 0.000079 0.001390 1Rh 2dxz -0.000344 0.004126 -0.000256 0.000940 -0.001047 0.000022 1Rh 2dyz -0.000946 -0.000116 0.000371 -0.000135 -0.000522 0.000468 1Rh 2dx2y2 0.000590 -0.003861 0.001613 0.001737 0.003591 0.000028 1Rh 2dxy 0.002270 -0.002356 -0.000685 -0.000053 -0.000111 0.001587 1Rh 3dz2 -0.006846 -0.001183 -0.013484 0.046982 0.040225 0.014087 1Rh 3dxz -0.004943 -0.016715 0.001715 -0.012573 -0.036492 -0.026488 1Rh 3dyz -0.019849 0.011566 0.005510 -0.003795 -0.020016 0.000126 1Rh 3dx2y2 0.022781 0.031731 0.030484 -0.021887 0.007212 -0.003227 1Rh 3dxy 0.023768 -0.019517 0.006544 -0.017137 0.030647 -0.006252 1Rh 4dz2 -0.020606 0.034404 -0.002388 -0.003284 0.003016 0.021004 1Rh 4dxz -0.003222 0.061304 -0.000344 0.011615 -0.022947 -0.002719 1Rh 4dyz -0.013978 0.002032 0.006873 -0.002421 -0.007468 0.008413 1Rh 4dx2y2 0.009755 -0.060425 0.023285 0.023392 0.055688 -0.000027 1Rh 4dxy 0.033555 -0.041200 -0.009055 0.001386 0.003269 0.021058 1Rh 5dz2 0.086108 -0.139272 0.038430 -0.063926 -0.066068 -0.090703 1Rh 5dxz 0.026194 -0.199759 -0.020265 -0.044644 0.190362 0.066638 1Rh 5dyz 0.042123 -0.068760 -0.024019 -0.007740 0.015852 -0.017162 1Rh 5dx2y2 -0.110889 0.185005 -0.128776 -0.034578 -0.252324 0.001555 1Rh 5dxy -0.189800 0.206913 0.027501 -0.007422 -0.079980 -0.061532 1Rh 1f0 0.079385 0.085655 0.032866 0.155245 0.262884 -0.161071 1Rh 1f+1 0.016551 0.099683 -0.102387 0.229216 0.109038 -0.316439 1Rh 1f-1 -0.085786 -0.016430 0.075960 -0.201467 0.066503 0.204578 1Rh 1f+2 -0.059751 0.083655 0.003283 -0.161986 0.015883 0.109161 1Rh 1f-2 -0.082798 0.037700 -0.030346 -0.058814 -0.059010 -0.015018 1Rh 1f+3 -0.107172 0.078239 -0.094137 -0.059672 0.143145 0.053686 1Rh 1f-3 -0.232583 0.145585 -0.039284 0.251297 -0.216874 -0.255440 2C 1s 0.003015 -0.000702 0.000771 0.001347 -0.001262 0.000277 2C 2s 0.005431 -0.002650 0.008099 0.001210 -0.011696 0.005071 2C 3s 0.037440 0.028731 -0.103263 0.018149 0.134978 -0.016844 2C 4s -0.524593 -0.079285 0.201445 -0.069816 -0.361216 -0.097213 2C 5s -0.645924 -0.791500 -1.636698 0.985411 2.277285 0.017536 2C 1pz -0.058136 -0.010539 -0.039527 0.036988 0.050807 0.075842 2C 1px 0.081188 -0.048092 -0.032763 -0.019550 -0.021822 -0.073727 2C 1py 0.008557 0.059038 0.042033 -0.058475 -0.063371 -0.032524 2C 2pz -0.319730 -0.061645 0.145595 -0.134685 -0.335472 -0.112677 2C 2px -0.300371 0.126585 0.072464 -0.006704 0.032730 0.263905 2C 2py -0.306070 -0.160878 -0.101612 0.063253 0.045713 0.063960 2C 3pz -0.206811 -0.214611 -0.415243 0.258124 0.503038 0.063980 2C 3px 0.028817 -0.070618 0.129009 -0.001172 0.135423 -0.004783 2C 3py -0.095272 -0.012441 -0.207719 0.072325 0.320607 -0.093811 2C 1dz2 0.003440 -0.030728 0.011782 0.015154 -0.031039 0.000429 2C 1dxz -0.015530 0.041757 0.029969 -0.025959 -0.048353 0.002678 2C 1dyz 0.016894 -0.006473 -0.011415 0.007429 0.016904 -0.006277 2C 1dx2y2 -0.000558 -0.020929 -0.026349 0.005987 -0.008150 0.022276 2C 1dxy -0.001914 0.042962 0.005865 -0.010106 0.008832 -0.012317 2C 2dz2 -0.041424 0.101910 0.032335 -0.100793 -0.043069 -0.097868 2C 2dxz -0.107437 -0.104949 -0.061112 0.133658 0.168157 0.065506 2C 2dyz -0.132790 0.002668 -0.033809 -0.060421 -0.066612 -0.036444 2C 2dx2y2 0.085693 0.162527 0.074651 -0.110930 -0.024833 -0.080042 2C 2dxy -0.119957 -0.168014 -0.052466 0.126682 0.013856 0.159262 2C 1f0 0.008093 -0.024046 -0.027176 0.000233 0.005499 0.016257 2C 1f+1 -0.000821 0.009541 -0.007167 -0.005014 0.008459 0.013857 2C 1f-1 -0.029997 0.001634 0.030175 0.004568 -0.019409 -0.013161 2C 1f+2 -0.023216 0.002850 0.049848 -0.006181 -0.079001 0.011158 2C 1f-2 0.010988 0.025043 -0.024318 -0.001068 0.027240 -0.027847 2C 1f+3 -0.032383 -0.001263 0.047348 -0.030826 -0.097145 0.035697 2C 1f-3 0.004187 -0.008251 -0.014671 -0.005487 0.017665 0.021530 3C 1s 0.002687 0.002732 0.001276 -0.000105 0.000872 -0.000368 3C 2s 0.011809 0.015506 -0.003035 0.004742 -0.003791 -0.001615 3C 3s -0.075926 -0.160400 0.083788 -0.019618 0.062641 0.050532 3C 4s -0.137085 0.353358 -0.485508 -0.084743 -0.208015 -0.206677 3C 5s -0.288794 -2.350634 0.519591 -2.156827 1.397401 -0.304488 3C 1pz 0.027520 0.017442 -0.074248 0.059692 0.053831 -0.071552 3C 1px -0.083513 0.074286 0.129869 0.034728 0.079254 -0.110442 3C 1py 0.036892 0.077646 0.069257 0.013398 0.088555 -0.114071 3C 2pz -0.215081 0.099942 -0.047876 -0.234046 -0.209911 0.136797 3C 2px 0.140608 -0.159220 -0.454791 -0.106249 -0.242337 0.185186 3C 2py 0.072261 -0.286931 0.298351 -0.057565 0.029699 0.334117 3C 3pz -0.164966 -0.215557 -0.015311 -0.357162 0.272650 -0.125062 3C 3px -0.022254 -0.162434 0.130508 -0.159414 0.188890 -0.099002 3C 3py 0.023740 0.599499 -0.040931 0.472108 -0.241429 0.043121 3C 1dz2 0.001160 -0.028856 -0.001581 -0.014509 -0.000946 0.006198 3C 1dxz -0.009083 0.061520 0.011215 -0.024628 -0.012341 0.016496 3C 1dyz 0.002093 0.032289 -0.011869 0.027861 -0.014596 -0.005591 3C 1dx2y2 -0.010368 0.005606 0.003347 -0.063390 0.005845 0.009118 3C 1dxy -0.002027 -0.058787 -0.005304 -0.003653 0.005170 -0.000952 3C 2dz2 -0.037513 0.112917 0.101640 -0.022970 -0.027393 0.047460 3C 2dxz 0.059267 -0.358496 -0.233623 0.056922 -0.128695 0.161687 3C 2dyz 0.138062 -0.194274 -0.012970 -0.003334 0.104332 0.033251 3C 2dx2y2 0.069146 -0.142464 -0.008008 0.162504 -0.129603 0.158369 3C 2dxy -0.012858 0.212073 0.172439 0.085134 -0.005588 -0.007577 3C 1f0 -0.009848 -0.073722 0.052693 -0.064942 0.035723 0.016440 3C 1f+1 0.003655 -0.052949 0.015548 -0.026826 0.025467 -0.014395 3C 1f-1 -0.010859 -0.020048 0.034411 0.002064 0.039078 -0.025671 3C 1f+2 0.032931 0.072634 -0.039713 0.038948 -0.044924 -0.006592 3C 1f-2 0.017829 0.050470 -0.036098 0.041650 -0.040855 0.018625 3C 1f+3 -0.009509 0.031198 -0.015072 -0.003128 -0.030300 0.025368 3C 1f-3 -0.018332 0.034724 0.022644 -0.019127 0.005517 0.013627 4C 1s 0.004410 0.005163 0.011684 0.002380 0.000075 0.000440 4C 2s 0.014989 0.016586 0.037593 0.008418 0.001396 0.003325 4C 3s -0.215503 0.002728 0.112216 -0.397367 -0.096751 -0.022959 4C 4s 0.835424 -0.766228 -2.315708 1.887187 0.579872 -0.027546 4C 5s 0.213403 -0.361030 -0.161934 0.373579 -1.442122 0.132783 4C 1pz 0.034521 -0.073650 -0.076512 0.016593 0.037486 -0.108261 4C 1px 0.110107 0.158790 -0.149675 -0.122691 0.104143 0.191935 4C 1py 0.066203 -0.031810 -0.130560 -0.027184 0.140299 0.012697 4C 2pz -0.255344 -0.168694 -0.364318 0.307131 0.005919 0.245182 4C 2px -0.269683 -0.243625 -0.052546 0.264312 -0.394969 -0.726779 4C 2py -0.270237 -0.078366 -0.166470 0.225008 -0.412143 -0.130154 4C 3pz -0.522276 -0.753436 -0.670840 0.778531 0.940460 0.203669 4C 3px 0.030757 0.151118 -0.555123 -0.053192 -0.144826 -0.017242 4C 3py -0.326131 -0.536701 -0.640958 0.562713 0.557158 0.194413 4C 1dz2 0.013062 0.011793 -0.024958 -0.004770 0.018969 -0.004765 4C 1dxz -0.008812 -0.020519 0.016296 0.016796 -0.009937 -0.052466 4C 1dyz 0.001543 0.001088 0.014117 0.011198 -0.005218 -0.000725 4C 1dx2y2 0.002306 -0.003993 0.024726 -0.024358 -0.007251 0.009139 4C 1dxy -0.013686 -0.003471 0.043505 0.014916 0.009288 -0.023256 4C 2dz2 0.374985 0.324987 0.269410 -0.317758 -0.023987 -0.019660 4C 2dxz -0.063654 -0.123751 0.277330 0.079023 0.031223 0.037036 4C 2dyz 0.241740 -0.081837 -0.066044 0.162711 0.082616 0.127605 4C 2dx2y2 -0.217499 -0.209073 -0.399867 0.356860 0.107647 0.004028 4C 2dxy -0.067753 -0.115700 -0.100976 0.209199 0.011189 -0.125383 4C 1f0 -0.010432 -0.026935 0.021959 -0.007217 -0.047490 0.012841 4C 1f+1 -0.014708 0.025245 0.047211 -0.043335 -0.033037 0.009359 4C 1f-1 0.010489 -0.012560 0.002651 -0.017534 0.021961 -0.013958 4C 1f+2 -0.008877 0.000958 -0.001633 0.017723 -0.043865 -0.014098 4C 1f-2 0.007678 0.030256 -0.008746 -0.019064 0.012722 0.020120 4C 1f+3 -0.011949 -0.009397 0.004056 -0.000858 -0.002586 -0.020396 4C 1f-3 -0.020234 0.008798 0.048528 -0.012732 0.011416 -0.000383 5C 1s 0.012509 0.000779 0.006306 0.007075 0.007877 -0.004180 5C 2s 0.042938 0.000599 0.019053 0.023049 0.026039 -0.013352 5C 3s -0.251056 0.061026 -0.140978 -0.070747 -0.396175 -0.027674 5C 4s -0.179750 -0.403122 0.138531 -0.662527 1.235629 0.696888 5C 5s 0.120384 1.548810 -0.641199 0.482770 -0.598547 0.372366 5C 1pz -0.053538 -0.097010 0.062519 -0.079528 -0.050246 0.072319 5C 1px 0.002082 0.025220 0.021992 -0.204741 0.025170 -0.042030 5C 1py 0.068264 0.085914 -0.085533 0.065325 -0.033771 -0.006704 5C 2pz -0.048444 0.210253 -0.359453 0.051829 0.148843 -0.060958 5C 2px -0.261243 0.128205 0.022043 0.346509 0.037019 -0.071954 5C 2py 0.107881 -0.159429 0.484353 0.210077 0.028773 -0.105422 5C 3pz 0.227333 -0.789912 -0.084664 -0.692299 0.270115 0.057254 5C 3px 0.060929 0.134146 0.221202 -0.506519 0.260877 -0.448483 5C 3py -0.290661 0.883418 0.105765 1.293220 -0.735525 0.273999 5C 1dz2 -0.016069 0.001568 0.006377 0.000780 0.013224 -0.016787 5C 1dxz -0.023798 -0.001237 -0.004559 -0.005106 -0.013631 0.038716 5C 1dyz -0.013134 -0.002228 -0.005073 -0.002052 -0.017707 0.019524 5C 1dx2y2 0.031996 -0.008811 -0.026082 0.022835 -0.020423 0.002723 5C 1dxy 0.007013 0.000294 -0.003396 -0.017974 -0.009507 -0.002809 5C 2dz2 -0.010793 0.046314 0.055427 0.081941 -0.291271 0.174914 5C 2dxz 0.150214 0.044882 0.190178 0.205767 -0.005455 -0.091788 5C 2dyz -0.089087 -0.137838 -0.236052 0.033112 -0.113666 -0.078069 5C 2dx2y2 -0.345222 -0.311373 -0.384444 -0.136751 -0.052463 0.248142 5C 2dxy -0.300594 0.557075 0.137510 -0.242563 0.188100 -0.288728 5C 1f0 -0.000067 0.011818 -0.011162 0.009501 0.007875 -0.020898 5C 1f+1 0.010788 -0.003787 -0.018702 -0.020945 -0.005272 0.008741 5C 1f-1 -0.000445 0.028433 -0.009903 0.051416 0.011239 -0.024905 5C 1f+2 0.007211 0.044242 -0.017708 0.022506 -0.012941 0.015525 5C 1f-2 -0.010051 0.008794 -0.012362 0.039990 0.011845 0.011679 5C 1f+3 0.024318 0.022339 -0.000290 0.006687 -0.008687 -0.023763 5C 1f-3 -0.031742 0.014367 0.008265 -0.063625 0.015174 0.024111 6C 1s 0.013239 -0.000671 0.005983 -0.007493 -0.007844 -0.004437 6C 2s 0.045371 -0.000294 0.017881 -0.024387 -0.025866 -0.014237 6C 3s -0.200035 -0.060892 -0.134044 0.074672 0.390746 0.001217 6C 4s -0.579727 0.392679 0.147146 0.693686 -1.202168 0.558614 6C 5s -0.226815 -1.569589 -0.563520 -0.476939 0.585478 0.421851 6C 1pz 0.046450 -0.102610 -0.062101 -0.078708 -0.044317 -0.071552 6C 1px 0.002531 0.028883 -0.021182 -0.214349 0.006863 0.045616 6C 1py -0.064280 0.089416 0.086133 0.065151 -0.034787 0.000376 6C 2pz 0.147459 0.238900 0.351397 0.044014 0.129539 0.070661 6C 2px 0.199937 0.104961 -0.029777 0.364453 0.068308 0.066635 6C 2py -0.226423 -0.185672 -0.474863 0.221090 0.043778 0.102267 6C 3pz -0.143809 -0.765082 0.099560 -0.691159 0.251321 0.002040 6C 3px -0.060977 0.132694 -0.229202 -0.511443 0.206389 0.469257 6C 3py 0.226621 0.836642 -0.120786 1.295334 -0.676659 -0.376156 6C 1dz2 -0.018638 -0.001703 0.006559 -0.000507 -0.011861 -0.018009 6C 1dxz -0.027350 0.002033 -0.002904 0.004412 0.008942 0.038685 6C 1dyz -0.012978 0.002113 -0.004616 0.002281 0.015987 0.020608 6C 1dx2y2 0.032543 0.007831 -0.027252 -0.024591 0.017921 0.004136 6C 1dxy 0.010162 0.000099 -0.003973 0.019972 0.012575 -0.002189 6C 2dz2 0.007108 -0.036964 0.056314 -0.080787 0.281118 0.196850 6C 2dxz 0.208921 -0.030749 0.184164 -0.213997 -0.001832 -0.083069 6C 2dyz -0.043055 0.127454 -0.240375 -0.034662 0.106842 -0.072224 6C 2dx2y2 -0.382365 0.298698 -0.388851 0.146639 0.041953 0.234250 6C 2dxy -0.341451 -0.554928 0.159677 0.247450 -0.162107 -0.286066 6C 1f0 -0.002112 0.012633 0.011529 0.009165 0.006049 0.020634 6C 1f+1 -0.016592 -0.003277 0.019363 -0.019687 -0.002845 -0.009705 6C 1f-1 0.004643 0.029373 0.009358 0.051989 0.010745 0.025186 6C 1f+2 -0.000636 0.044713 0.016145 0.022276 -0.011836 -0.017258 6C 1f-2 0.019445 0.009277 0.011065 0.041325 0.015009 -0.010764 6C 1f+3 -0.028598 0.022625 0.000218 0.008219 -0.008493 0.022311 6C 1f-3 0.033406 0.013772 -0.009691 -0.064556 0.015628 -0.022828 7C 1s 0.006630 -0.004552 0.011752 -0.002592 -0.000141 0.000737 7C 2s 0.022232 -0.014525 0.037850 -0.009078 -0.001719 0.004307 7C 3s -0.195014 -0.005486 0.105053 0.401490 0.095953 -0.024454 7C 4s 0.402409 0.699525 -2.287190 -1.885407 -0.553546 -0.069454 7C 5s -0.011241 0.327777 -0.161799 -0.381520 1.434227 0.190727 7C 1pz -0.023096 -0.070375 0.080329 0.016695 0.026868 0.115044 7C 1px -0.105243 0.156142 0.140566 -0.128998 0.113801 -0.192004 7C 1py -0.050461 -0.030050 0.130123 -0.026279 0.142720 -0.003199 7C 2pz 0.354406 -0.148335 0.348429 0.299818 0.019534 -0.245726 7C 2px 0.348598 -0.231078 0.073573 0.277207 -0.432544 0.722573 7C 2py 0.338747 -0.065522 0.166812 0.217724 -0.431056 0.111273 7C 3pz 0.777536 -0.775423 0.658075 0.756514 0.937163 -0.135617 7C 3px 0.042017 0.154744 0.545295 -0.063694 -0.152321 0.011945 7C 3py 0.479128 -0.554962 0.645187 0.555763 0.570216 -0.158037 7C 1dz2 0.009434 -0.012290 -0.023999 0.004298 -0.019855 -0.006226 7C 1dxz -0.008272 0.018720 0.015935 -0.017726 0.013888 -0.053159 7C 1dyz 0.002427 -0.000527 0.013760 -0.010797 0.006662 -0.000605 7C 1dx2y2 0.006948 0.005390 0.025504 0.024358 0.006971 0.009997 7C 1dxy -0.009020 0.003693 0.042672 -0.016478 -0.009384 -0.023427 7C 2dz2 0.435663 -0.311634 0.282248 0.319666 0.038770 -0.014151 7C 2dxz -0.027871 0.135948 0.267357 -0.078525 -0.038635 0.034088 7C 2dyz 0.233422 0.089834 -0.071814 -0.172254 -0.100759 0.126223 7C 2dx2y2 -0.299601 0.188355 -0.395373 -0.345680 -0.099262 -0.008205 7C 2dxy -0.113851 0.110529 -0.094106 -0.205057 0.002794 -0.127043 7C 1f0 0.002390 -0.028193 -0.018915 -0.008217 -0.047893 -0.015506 7C 1f+1 0.002023 0.023102 -0.046188 -0.043992 -0.033051 -0.012542 7C 1f-1 -0.011865 -0.013152 -0.001942 -0.017717 0.019645 0.015866 7C 1f+2 0.008726 0.002449 0.002554 0.017019 -0.046545 0.011556 7C 1f-2 -0.007007 0.028935 0.007476 -0.020016 0.012960 -0.020346 7C 1f+3 0.009616 -0.008485 -0.003341 0.000188 -0.002354 0.020171 7C 1f-3 0.016313 0.007561 -0.049521 -0.012165 0.011977 0.000952 8C 1s 0.001830 -0.002725 0.001462 0.000029 -0.000811 -0.000442 8C 2s 0.008545 -0.015732 -0.002304 -0.004989 0.003928 -0.001226 8C 3s -0.051751 0.165211 0.075899 0.022818 -0.064977 0.044089 8C 4s -0.171465 -0.378143 -0.464381 0.078851 0.215484 -0.185929 8C 5s -0.179673 2.327417 0.449376 2.176197 -1.319173 -0.485996 8C 1pz -0.029600 0.024319 0.074711 0.060176 0.051806 0.073908 8C 1px 0.080606 0.067807 -0.133362 0.035328 0.074263 0.110502 8C 1py -0.032349 0.078164 -0.072842 0.016605 0.083471 0.117706 8C 2pz 0.225023 0.094561 0.041073 -0.237898 -0.206776 -0.150483 8C 2px -0.151495 -0.139449 0.464924 -0.111665 -0.238214 -0.190872 8C 2py -0.097752 -0.307742 -0.285497 -0.062121 0.042533 -0.324990 8C 3pz 0.144112 -0.204955 0.017834 -0.363072 0.255559 0.153605 8C 3px -0.000273 -0.165357 -0.126029 -0.156078 0.181557 0.114678 8C 3py -0.000431 0.592620 0.022461 0.475241 -0.225161 -0.079898 8C 1dz2 0.006326 0.028212 -0.002759 0.014999 0.001500 0.006313 8C 1dxz -0.006614 -0.059860 0.013679 0.024513 0.010434 0.018780 8C 1dyz 0.002039 -0.032474 -0.011177 -0.028429 0.013947 -0.003741 8C 1dx2y2 -0.005644 -0.005215 0.003457 0.064391 -0.004714 0.008727 8C 1dxy 0.000098 0.058438 -0.007063 0.004197 -0.005303 -0.002400 8C 2dz2 -0.037817 -0.102067 0.103580 0.023008 0.025878 0.054192 8C 2dxz 0.047860 0.346545 -0.246462 -0.056059 0.122127 0.157880 8C 2dyz 0.137238 0.190074 -0.022282 0.003041 -0.103823 0.021749 8C 2dx2y2 0.062715 0.145380 -0.013780 -0.160315 0.118822 0.160463 8C 2dxy -0.024956 -0.203129 0.181365 -0.089724 0.003067 -0.000781 8C 1f0 0.002817 -0.076615 -0.051360 -0.065934 0.035456 -0.011794 8C 1f+1 -0.008820 -0.051384 -0.012258 -0.026263 0.021718 0.016917 8C 1f-1 0.006456 -0.020505 -0.033125 0.003171 0.037496 0.028567 8C 1f+2 -0.024927 0.073513 0.037563 0.038434 -0.045336 0.002299 8C 1f-2 -0.009469 0.052506 0.035215 0.043164 -0.038553 -0.022163 8C 1f+3 0.009491 0.030809 0.014237 -0.002819 -0.028448 -0.027753 8C 1f-3 0.016813 0.034220 -0.023927 -0.018104 0.006432 -0.014289 9C 1s 0.002296 0.000839 0.000746 -0.001392 0.001316 0.000256 9C 2s 0.003177 0.003231 0.008025 -0.001309 0.011471 0.005457 9C 3s 0.057806 -0.033010 -0.102203 -0.018177 -0.136017 -0.020702 9C 4s -0.574387 0.074916 0.199123 0.076417 0.376535 -0.088693 9C 5s -0.864256 0.802298 -1.623694 -0.955170 -2.268787 -0.113557 9C 1pz 0.055830 -0.009296 0.039662 0.038078 0.061640 -0.075862 9C 1px -0.072930 -0.047364 0.037930 -0.015155 -0.024518 0.075196 9C 1py -0.024284 0.059787 -0.044359 -0.063291 -0.071695 0.028426 9C 2pz 0.334816 -0.057120 -0.142751 -0.144334 -0.357294 0.103225 9C 2px 0.279071 0.121940 -0.083165 -0.021408 0.047549 -0.270681 9C 2py 0.372531 -0.155756 0.099858 0.068103 0.065071 -0.058487 9C 3pz 0.254082 -0.217446 0.418293 0.251269 0.503826 -0.034223 9C 3px -0.038774 -0.084126 -0.124194 0.002401 0.134151 0.009520 9C 3py 0.128448 -0.011009 0.196390 0.063332 0.308192 0.112301 9C 1dz2 0.006512 0.030727 0.009030 -0.014708 0.031773 0.001694 9C 1dxz -0.009375 -0.040807 0.029904 0.026014 0.048827 0.006392 9C 1dyz 0.011544 0.006220 -0.010575 -0.007991 -0.016020 -0.008027 9C 1dx2y2 -0.001630 0.021344 -0.027858 -0.004546 0.008429 0.022910 9C 1dxy -0.001821 -0.042626 0.007382 0.009684 -0.008722 -0.011258 9C 2dz2 -0.038837 -0.105107 0.039937 0.106004 0.058919 -0.096691 9C 2dxz -0.127077 0.103002 -0.051732 -0.126844 -0.169097 0.055297 9C 2dyz -0.143579 -0.005645 -0.036567 0.060152 0.064745 -0.034795 9C 2dx2y2 0.100350 -0.162672 0.082914 0.113479 0.031573 -0.080057 9C 2dxy -0.119811 0.164971 -0.061588 -0.120457 -0.024036 0.156293 9C 1f0 -0.007773 -0.024088 0.028939 -0.001644 0.004192 -0.015278 9C 1f+1 0.000611 0.008623 0.008340 -0.004958 0.011429 -0.014221 9C 1f-1 0.026661 0.002158 -0.030167 0.004993 -0.019967 0.011242 9C 1f+2 0.023580 0.001770 -0.049818 -0.006275 -0.079194 -0.017097 9C 1f-2 -0.013256 0.025474 0.023025 -0.001514 0.022251 0.028552 9C 1f+3 0.033950 -0.001551 -0.047458 -0.031503 -0.094618 -0.039697 9C 1f-3 -0.000380 -0.009039 0.012577 -0.006968 0.016501 -0.022396 10H 1s 0.101826 -0.062426 -0.202338 0.035786 0.201382 0.008941 10H 2s -0.155463 -0.145222 0.275559 0.065176 -0.350151 0.009572 10H 3s 0.021047 0.007933 -0.117486 -0.000231 -0.020003 0.055341 10H 1pz 0.017391 -0.058983 -0.046000 0.023227 0.007021 -0.011144 10H 1px 0.062282 0.031352 -0.049045 -0.045223 0.003715 -0.054929 10H 1py 0.054981 0.028703 0.012380 -0.054860 -0.042680 -0.078767 11H 1s -0.001731 0.015909 -0.001327 -0.003739 -0.019672 -0.050807 11H 2s -0.077764 0.025056 0.159612 -0.106874 -0.231545 0.214895 11H 3s 0.038871 -0.009081 0.193808 -0.060920 -0.205109 0.034946 11H 1pz -0.078753 0.009821 0.017681 0.019718 -0.009851 0.085939 11H 1px 0.042123 -0.000123 -0.013268 -0.043396 -0.063452 -0.020545 11H 1py 0.012524 0.043527 0.001093 -0.022407 -0.004798 -0.061903 12H 1s 0.013550 0.083358 -0.009155 0.039929 0.157224 -0.104885 12H 2s -0.055190 0.037106 0.087524 -0.193942 -0.261378 0.170830 12H 3s 0.080139 0.191793 0.218777 -0.106906 -0.094911 -0.144652 12H 1pz -0.077021 -0.071274 -0.074412 0.109960 0.085056 0.069045 12H 1px 0.039892 -0.009981 -0.057028 -0.024036 -0.026613 -0.034523 12H 1py -0.034871 0.047085 0.015343 -0.024886 0.017236 0.032349 13H 1s -0.026574 -0.274747 0.112733 -0.118358 0.149448 -0.066605 13H 2s 0.068431 0.296522 -0.260802 0.222235 -0.268700 0.132838 13H 3s -0.016344 -0.067540 -0.137974 0.017892 -0.015593 -0.002578 13H 1pz 0.001062 0.041722 0.010646 0.016730 0.056133 -0.072337 13H 1px -0.067302 0.097108 0.152670 -0.029190 0.090615 -0.105435 13H 1py 0.074826 0.012127 -0.037761 0.041954 0.025217 -0.042762 14H 1s -0.069173 -0.042463 0.081586 -0.155841 0.031514 0.090858 14H 2s 0.139570 0.339638 -0.157286 0.100757 -0.119044 -0.133303 14H 3s -0.055309 0.265783 0.049769 0.040527 -0.001651 -0.045575 14H 1pz 0.075562 -0.034575 -0.097856 -0.021097 -0.007191 0.013407 14H 1px -0.056954 0.096802 0.058545 -0.032890 0.012860 -0.044770 14H 1py 0.016303 0.133039 0.068650 0.053912 0.093925 -0.138780 15H 1s -0.027673 -0.024742 0.057995 0.051304 0.069281 -0.039650 15H 2s 0.165616 0.199262 -0.206143 0.208378 -0.247888 -0.012412 15H 3s 0.133254 0.122074 -0.005460 0.237686 -0.118874 0.016216 15H 1pz 0.018139 -0.021960 -0.022435 -0.038134 0.109722 -0.074253 15H 1px -0.056693 0.082530 0.096183 0.011347 0.091413 -0.125588 15H 1py -0.043642 0.035698 0.100535 -0.050147 0.013403 0.006011 16H 1s -0.203402 -0.066484 0.014333 0.100737 -0.069357 0.034213 16H 2s 0.589565 0.169708 -0.075495 -0.374698 0.246545 -0.136717 16H 3s -0.193168 0.009005 0.092657 0.129332 -0.046878 0.060248 16H 1pz 0.252674 0.047216 -0.123073 -0.118649 0.041168 -0.082794 16H 1px -0.193012 -0.172140 -0.278618 -0.025677 -0.107019 -0.041567 16H 1py -0.013726 -0.149845 -0.237166 -0.107452 -0.009462 -0.075027 17H 1s -0.120989 -0.096671 -0.131904 0.087651 -0.111084 -0.056247 17H 2s 0.347076 0.309475 0.389877 -0.239578 0.428270 0.193414 17H 3s -0.067166 -0.034394 -0.277085 0.068662 -0.233632 -0.060334 17H 1pz 0.102323 0.013076 -0.169125 -0.050287 -0.189196 -0.080914 17H 1px -0.312066 -0.220902 -0.032243 0.108264 0.049678 -0.080511 17H 1py -0.194694 -0.087377 0.192884 0.050199 0.241300 0.089402 18H 1s -0.120130 0.089653 -0.130337 -0.087080 0.112861 -0.049077 18H 2s 0.347664 -0.290700 0.383180 0.238557 -0.431342 0.168073 18H 3s -0.083409 0.025978 -0.272211 -0.069806 0.233774 -0.046015 18H 1pz -0.084575 0.017318 0.168712 -0.047630 -0.191806 0.073180 18H 1px 0.279913 -0.212921 0.038743 0.105646 0.041406 0.081528 18H 1py 0.162721 -0.092095 -0.179952 0.047299 0.236199 -0.075836 19H 1s -0.183082 0.062341 0.013314 -0.097257 0.067867 0.040907 19H 2s 0.518750 -0.158569 -0.073378 0.363872 -0.241237 -0.162105 19H 3s -0.140686 -0.013894 0.091239 -0.124942 0.050302 0.070725 19H 1pz -0.233686 0.048424 0.119782 -0.111156 0.038604 0.086664 19H 1px 0.249423 -0.160662 0.277297 -0.030637 -0.101147 0.042242 19H 1py 0.081436 -0.144584 0.238649 -0.114582 -0.006147 0.088141 20H 1s -0.019256 0.025767 0.056567 -0.054117 -0.069795 -0.043952 20H 2s 0.137609 -0.206100 -0.201404 -0.207203 0.246718 0.008469 20H 3s 0.130939 -0.118534 -0.004260 -0.245421 0.111451 0.031160 20H 1pz -0.024995 -0.016557 0.022969 -0.037057 0.105878 0.081838 20H 1px 0.053607 0.079087 -0.099170 0.011531 0.083434 0.127527 20H 1py 0.040317 0.030554 -0.102995 -0.049954 0.013630 -0.006336 21H 1s -0.052885 0.047789 0.082744 0.155113 -0.038144 0.087017 21H 2s 0.124105 -0.345505 -0.151912 -0.097202 0.132584 -0.115088 21H 3s -0.046767 -0.260085 0.062121 -0.045516 -0.003012 -0.035852 21H 1pz -0.078860 -0.027423 0.100408 -0.021934 -0.007400 -0.012855 21H 1px 0.052342 0.091716 -0.062172 -0.034805 0.008550 0.042169 21H 1py -0.015319 0.133498 -0.072104 0.056437 0.087948 0.139270 22H 1s -0.005677 0.276982 0.103199 0.122274 -0.137786 -0.081824 22H 2s 0.013861 -0.306571 -0.249878 -0.228277 0.249177 0.153851 22H 3s -0.022606 0.059714 -0.138773 -0.013076 0.020250 -0.002202 22H 1pz 0.000815 0.043924 -0.012364 0.017819 0.053592 0.073664 22H 1px 0.061129 0.089846 -0.157131 -0.029119 0.083749 0.106187 22H 1py -0.080028 0.015365 0.039593 0.042637 0.023259 0.043132 23H 1s 0.022694 -0.085000 -0.005112 -0.044190 -0.153583 -0.110805 23H 2s -0.080570 -0.030725 0.095498 0.198597 0.247460 0.183972 23H 3s 0.109132 -0.191175 0.225593 0.103618 0.106932 -0.135718 23H 1pz 0.087007 -0.070851 0.077031 0.112500 0.096289 -0.065757 23H 1px -0.028600 -0.009927 0.060467 -0.020614 -0.025627 0.035038 23H 1py 0.037685 0.045669 -0.020311 -0.026878 0.019933 -0.032644 24H 1s 0.013343 -0.016720 -0.004172 0.005213 0.028312 -0.049556 24H 2s -0.067688 -0.017652 0.154093 0.108525 0.210957 0.231865 24H 3s 0.066329 0.017742 0.183045 0.056482 0.205129 0.045551 24H 1pz 0.070091 0.008045 -0.018298 0.015729 -0.005263 -0.089890 24H 1px -0.041099 -0.000335 0.016941 -0.042911 -0.064892 0.017392 24H 1py -0.012524 0.044831 -0.006128 -0.027314 -0.016929 0.062714 25H 1s 0.090261 0.060922 -0.203410 -0.033297 -0.199503 -0.004117 25H 2s -0.168083 0.143850 0.273654 -0.069590 0.348007 0.025307 25H 3s 0.014194 -0.015177 -0.117463 0.003964 0.018883 0.053626 25H 1pz -0.004865 -0.057064 0.048854 0.025731 0.007593 0.013398 25H 1px -0.058065 0.031434 0.051491 -0.042924 0.001208 0.055749 25H 1py -0.054483 0.029831 -0.013750 -0.056068 -0.051897 0.078489 26O 1s 0.000408 -0.004738 -0.000921 0.005973 0.001233 -0.001243 26O 2s 0.001501 -0.011755 -0.003331 0.015625 0.004406 -0.002099 26O 3s -0.019332 0.000236 0.007301 -0.008527 -0.032025 -0.022331 26O 4s 0.167480 0.383140 -0.040473 -0.432392 0.059617 0.170126 26O 5s 0.190893 0.126382 1.607866 -0.497166 0.141887 0.248928 26O 1pz 0.008235 0.016060 -0.039120 -0.019646 0.046387 -0.020727 26O 1px 0.027577 0.013368 -0.083375 -0.023923 0.034264 0.011595 26O 1py 0.002913 -0.032057 -0.075638 -0.009817 0.030566 0.034283 26O 2pz -0.053595 -0.030216 0.012920 0.048153 -0.047071 -0.018959 26O 2px -0.142579 -0.188715 -0.025378 0.290255 -0.068449 -0.152882 26O 2py -0.091649 -0.053493 0.018313 0.140718 -0.038526 -0.096897 26O 3pz 0.095782 -0.104035 -0.381672 0.052425 -0.164879 -0.100704 26O 3px 0.075649 -0.222690 -1.142006 0.499335 -0.075601 -0.004951 26O 3py 0.117639 -0.201763 -0.686673 0.268723 0.053207 -0.008925 26O 1dz2 0.003962 -0.000657 -0.005191 -0.001842 -0.000851 -0.000236 26O 1dxz -0.000430 -0.004779 -0.003510 0.001194 -0.000357 0.002345 26O 1dyz 0.003268 -0.002903 -0.001484 -0.000837 0.002860 -0.000293 26O 1dx2y2 -0.004774 -0.001417 0.007855 0.002326 -0.004162 -0.005582 26O 1dxy -0.001808 -0.003483 0.004407 0.000309 -0.002852 -0.001924 26O 2dz2 0.000320 -0.114881 -0.267594 0.076547 0.053401 0.016649 26O 2dxz 0.024091 -0.090490 0.077687 0.083851 0.064685 0.141931 26O 2dyz -0.001265 -0.101214 0.090605 -0.000206 -0.003009 -0.002779 26O 2dx2y2 -0.118569 -0.015743 0.252391 0.019031 -0.014564 -0.035924 26O 2dxy -0.028143 -0.006790 0.341064 -0.054647 -0.118501 -0.010983 26O 1f0 -0.001955 0.002174 -0.002299 -0.003938 0.001965 0.006401 26O 1f+1 -0.000106 0.002542 -0.000989 -0.002363 0.004271 0.005703 26O 1f-1 -0.002224 -0.001707 -0.001393 0.000289 -0.000701 0.001053 26O 1f+2 0.003223 -0.001456 -0.000855 0.000088 0.003417 0.000329 26O 1f-2 -0.002890 -0.002568 0.007130 0.005266 -0.004280 -0.009319 26O 1f+3 0.001126 0.002814 0.001801 0.000244 0.003745 0.000978 26O 1f-3 0.003731 0.009021 -0.001387 -0.013146 0.002930 0.006883 27O 1s 0.000437 -0.005406 0.001226 0.000522 0.001289 -0.000528 27O 2s 0.002133 -0.013666 0.004178 -0.000303 0.003992 -0.001899 27O 3s -0.035886 0.008344 -0.031160 0.034332 -0.010919 0.021499 27O 4s 0.160255 0.444703 0.138887 -0.263592 -0.056003 -0.093804 27O 5s 0.160829 -0.530237 0.248573 0.766015 -0.182913 -0.187807 27O 1pz -0.025609 -0.079491 -0.024153 0.013887 0.016112 -0.002785 27O 1px -0.026272 -0.016599 -0.017331 -0.068971 0.005554 0.002129 27O 1py 0.058859 -0.002366 -0.013332 0.058719 -0.060615 0.058305 27O 2pz 0.008486 0.087259 -0.008247 -0.020956 -0.035049 0.037654 27O 2px -0.061335 -0.139396 -0.096244 0.130738 0.049169 0.111505 27O 2py -0.006965 -0.001769 0.058958 -0.034045 0.007746 -0.078510 27O 3pz -0.167102 -0.125842 0.102289 -0.145154 0.102963 -0.126847 27O 3px -0.137704 0.078416 -0.108204 -0.517472 0.281241 0.010324 27O 3py 0.443173 -0.143243 -0.197166 0.027979 -0.166706 0.220762 27O 1dz2 0.000423 -0.000737 0.000469 -0.008050 0.006913 -0.006093 27O 1dxz -0.002063 -0.002888 0.001657 -0.002632 0.003105 -0.005443 27O 1dyz 0.003092 0.003731 -0.003875 0.003239 -0.002406 0.007215 27O 1dx2y2 0.004450 -0.000511 -0.006001 0.001055 0.000176 -0.000347 27O 1dxy -0.000604 0.006813 0.000697 -0.001591 0.002092 -0.000050 27O 2dz2 -0.043546 0.046580 0.023934 -0.193780 0.180511 -0.125402 27O 2dxz 0.050780 0.066093 0.071095 0.052301 0.086253 -0.061849 27O 2dyz 0.111902 0.058769 -0.023739 -0.027103 -0.056889 0.126247 27O 2dx2y2 0.129772 0.117649 0.019019 0.168821 0.035273 -0.108123 27O 2dxy -0.282193 0.224682 0.063093 -0.138827 0.056914 -0.042103 27O 1f0 0.001602 -0.000763 -0.000019 0.000749 -0.002385 -0.002554 27O 1f+1 0.001415 0.006709 0.001763 -0.004659 -0.000555 -0.005491 27O 1f-1 -0.001241 -0.001644 -0.001132 -0.000083 0.002811 -0.003555 27O 1f+2 -0.001822 -0.003388 0.001193 -0.002307 -0.001861 0.000559 27O 1f-2 -0.000658 -0.003171 0.003089 -0.003986 0.001460 -0.004643 27O 1f+3 0.000802 0.000380 -0.001764 -0.006450 -0.002116 0.002326 27O 1f-3 -0.001286 -0.000683 0.004706 0.008577 0.004704 0.000302 28O 1s 0.001381 0.002251 -0.001157 -0.000008 0.002806 0.003783 28O 2s 0.004560 0.004085 -0.002742 0.001086 0.007339 0.009460 28O 3s -0.024405 0.030468 -0.012720 -0.013359 -0.018006 -0.014655 28O 4s 0.031632 -0.425053 0.082810 0.112668 -0.028738 -0.133687 28O 5s -0.143570 1.295774 1.380925 -0.956900 -0.523762 -0.323390 28O 1pz -0.091227 -0.044315 -0.043634 0.059748 0.024422 0.024839 28O 1px -0.023105 0.051391 0.040484 -0.010288 0.006961 0.028889 28O 1py -0.040346 0.032047 0.014288 0.005206 0.020793 -0.017474 28O 2pz 0.098812 0.060586 -0.161584 0.032260 0.038290 0.095059 28O 2px -0.031524 -0.112278 0.119031 -0.013102 -0.043734 -0.136580 28O 2py 0.028994 -0.061282 -0.074459 0.014954 -0.045013 0.044621 28O 3pz -0.152647 -0.438346 -0.340297 0.567275 0.103163 0.006192 28O 3px -0.242122 0.461704 0.472505 -0.432322 -0.201461 -0.032672 28O 3py -0.098130 0.214184 0.075276 0.050404 0.219285 -0.131731 28O 1dz2 -0.004098 -0.001642 -0.000209 -0.003938 -0.005042 0.000726 28O 1dxz -0.004510 -0.005220 0.001349 0.004341 -0.003217 -0.003764 28O 1dyz -0.005008 0.003985 0.000528 -0.002125 0.008828 0.003565 28O 1dx2y2 0.001700 -0.002418 -0.002280 -0.003382 -0.006252 0.006826 28O 1dxy -0.000845 0.000372 0.000439 0.000409 0.001238 0.001020 28O 2dz2 0.101207 0.127012 0.092014 -0.174309 -0.115469 -0.048592 28O 2dxz -0.111041 -0.262298 -0.226481 0.199836 -0.008949 -0.035804 28O 2dyz -0.069295 0.133542 0.029971 -0.075879 0.023122 0.112723 28O 2dx2y2 -0.079040 0.026627 0.045891 -0.099103 -0.077052 0.087894 28O 2dxy -0.088428 0.067881 -0.006434 -0.034481 0.060322 -0.043272 28O 1f0 0.001874 0.002916 0.000540 -0.000195 0.005852 -0.003027 28O 1f+1 -0.000821 -0.006115 0.006500 -0.000739 -0.003866 -0.006346 28O 1f-1 0.005972 0.003270 -0.005288 0.001794 -0.001498 0.005745 28O 1f+2 0.000937 0.007165 -0.002862 -0.000498 0.005947 0.008237 28O 1f-2 -0.000525 -0.002284 0.004019 0.000608 -0.001691 -0.005721 28O 1f+3 0.001671 0.003870 -0.001565 0.000332 0.001175 0.003294 28O 1f-3 -0.000475 -0.002844 0.001454 -0.002020 -0.003262 -0.000713 29O 1s -0.005098 -0.007046 -0.000442 0.007434 -0.005862 -0.000251 29O 2s -0.020584 -0.023550 -0.002666 0.024738 -0.020245 -0.001318 29O 3s 0.209875 0.155461 0.037194 -0.170901 0.163123 0.019939 29O 4s -0.590662 -0.277462 -0.120694 0.261727 -0.278041 -0.071173 29O 5s 0.148975 0.030018 -0.075656 0.269927 -0.368565 0.061693 29O 1pz -0.054709 -0.007558 0.009857 0.000057 -0.002438 0.015323 29O 1px 0.083822 0.050557 0.047873 -0.027802 0.017882 0.020202 29O 1py -0.028386 0.000337 -0.023288 0.040393 -0.040540 0.003017 29O 2pz 0.227916 -0.041784 -0.306506 -0.125891 -0.062781 -0.180444 29O 2px -0.065096 -0.077999 -0.132607 0.076141 -0.193002 -0.094822 29O 2py 0.165048 0.055961 0.087215 -0.116625 0.162527 0.029881 29O 3pz -0.089943 0.007650 0.214793 0.039249 0.014151 0.056097 29O 3px -0.002033 0.015310 0.110363 -0.161802 0.242436 0.027470 29O 3py 0.186781 0.199322 0.047605 -0.123308 0.057086 -0.019121 29O 1dz2 0.000654 -0.002743 -0.006299 -0.002470 0.000894 -0.001414 29O 1dxz -0.004340 0.000726 0.001822 -0.000127 0.003636 0.002402 29O 1dyz 0.003244 0.000039 -0.004963 -0.002180 -0.001976 -0.002785 29O 1dx2y2 -0.000094 -0.000618 0.004693 0.003154 -0.003722 0.000514 29O 1dxy -0.001682 -0.002188 -0.000273 -0.001598 -0.003555 -0.003030 29O 2dz2 -0.063509 -0.002345 0.100928 0.059804 0.088809 0.022126 29O 2dxz -0.095452 -0.113204 -0.281923 -0.061473 -0.100967 -0.037709 29O 2dyz 0.094161 0.023960 -0.148364 -0.071853 -0.091596 -0.006543 29O 2dx2y2 0.346815 0.257102 0.024117 -0.019798 -0.226548 0.004909 29O 2dxy -0.133922 -0.092198 -0.070485 0.033893 -0.048913 -0.016736 29O 1f0 0.024033 0.009771 0.002402 -0.011208 0.010472 -0.000426 29O 1f+1 -0.007771 -0.007695 -0.009745 0.001679 -0.006443 -0.004257 29O 1f-1 0.021885 0.001422 -0.008706 -0.014823 0.011625 -0.005989 29O 1f+2 -0.014172 -0.004676 0.003755 0.006148 0.000701 0.002586 29O 1f-2 0.002816 0.008270 0.020608 -0.002767 0.016602 0.012875 29O 1f+3 -0.000858 -0.002956 -0.008516 -0.000002 -0.003622 -0.004163 29O 1f-3 0.001611 -0.002426 -0.011661 0.002940 -0.006491 -0.005207 30O 1s 0.000481 0.000332 -0.002308 -0.004897 0.003387 0.001014 30O 2s 0.001191 -0.000331 -0.005715 -0.012946 0.009675 0.002517 30O 3s -0.014259 0.041742 0.005259 0.021666 -0.027831 0.000495 30O 4s 0.118142 -0.413365 0.088091 0.228889 -0.102780 -0.001719 30O 5s -0.065017 0.773773 0.231532 0.504430 -0.309793 -0.262136 30O 1pz -0.035868 0.005265 -0.008751 -0.019429 -0.003663 0.002458 30O 1px 0.006348 0.004616 -0.043713 -0.003591 0.000845 -0.001386 30O 1py 0.004163 0.109811 0.085397 -0.005409 0.034913 -0.053010 30O 2pz 0.007428 0.059571 -0.011086 -0.025552 0.078931 -0.050167 30O 2px 0.019609 -0.114935 0.046552 0.107399 -0.082432 -0.006075 30O 2py 0.031549 -0.130995 -0.023440 0.099778 -0.080326 0.052897 30O 3pz -0.242264 0.054445 -0.236941 -0.559657 0.216797 0.170016 30O 3px -0.092665 0.134720 0.027231 0.196359 -0.211924 -0.108570 30O 3py 0.335180 0.231642 0.383605 0.202734 0.054380 -0.569030 30O 1dz2 -0.003578 0.000539 0.000458 -0.008056 -0.000689 0.006337 30O 1dxz -0.000940 -0.003391 -0.000072 -0.004347 0.000195 0.003924 30O 1dyz -0.002617 0.002469 0.005346 0.009827 0.001391 -0.003959 30O 1dx2y2 -0.000762 0.000220 0.004090 -0.003388 0.002594 -0.001087 30O 1dxy 0.001033 0.005522 0.003136 -0.001307 0.002150 -0.006856 30O 2dz2 0.021538 -0.109539 -0.020695 -0.004396 -0.077387 0.154336 30O 2dxz -0.075227 0.000867 -0.005777 -0.164506 0.074210 -0.003321 30O 2dyz -0.108335 -0.157949 0.011529 0.050290 0.060631 0.059611 30O 2dx2y2 -0.056370 -0.179029 -0.132798 -0.046208 -0.034157 0.051406 30O 2dxy 0.167977 0.137281 0.158642 0.037756 0.123321 -0.237449 30O 1f0 0.001890 -0.007151 -0.000255 0.005856 -0.001903 -0.000667 30O 1f+1 0.000591 0.001134 -0.000603 0.002708 -0.001733 -0.000869 30O 1f-1 -0.001596 -0.001097 -0.000072 -0.005056 -0.003249 0.006222 30O 1f+2 -0.000319 -0.000200 -0.002405 -0.000667 -0.001969 0.002916 30O 1f-2 0.004852 0.001556 -0.003504 -0.004957 0.005514 0.000479 30O 1f+3 -0.001893 0.002134 0.000679 0.002472 -0.002368 -0.002264 30O 1f-3 0.004421 0.001239 -0.004257 0.002944 -0.000320 -0.000198 31O 1s 0.000219 -0.000459 -0.002356 0.005014 -0.003260 0.000757 31O 2s 0.000516 -0.000016 -0.005860 0.013222 -0.009380 0.001754 31O 3s -0.017915 -0.041107 0.007081 -0.021404 0.027917 0.003430 31O 4s 0.149751 0.416535 0.075386 -0.237285 0.093387 -0.003944 31O 5s 0.271396 -0.721965 0.234279 -0.526175 0.253526 -0.187599 31O 1pz 0.033013 0.003957 0.008225 -0.019787 -0.003111 -0.002496 31O 1px -0.016656 0.006309 0.044515 -0.003715 0.002437 0.000553 31O 1py -0.001028 0.106501 -0.088863 -0.004682 0.032570 0.051590 31O 2pz 0.026716 0.065633 0.009548 -0.029489 0.066438 0.055143 31O 2px -0.047384 -0.119715 -0.043029 0.112574 -0.073799 0.002019 31O 2py -0.066215 -0.133931 0.028637 0.105143 -0.066959 -0.056688 31O 3pz 0.327856 0.070097 0.221044 -0.566752 0.223322 -0.141800 31O 3px -0.070757 0.117096 -0.018459 0.201291 -0.190255 0.077078 31O 3py -0.475547 0.211408 -0.374011 0.212570 0.023731 0.544220 31O 1dz2 -0.003075 -0.000380 0.000611 0.008025 0.000091 0.006368 31O 1dxz -0.000610 0.003479 -0.000041 0.004198 -0.000743 0.003771 31O 1dyz -0.003626 -0.002323 0.005587 -0.009935 -0.001277 -0.003973 31O 1dx2y2 -0.000447 0.000038 0.004160 0.003531 -0.002250 -0.001192 31O 1dxy 0.000593 -0.005579 0.003271 0.001399 -0.001481 -0.006790 31O 2dz2 0.009831 0.109532 -0.021385 0.003777 0.068032 0.154110 31O 2dxz -0.100863 -0.003053 0.000154 0.164531 -0.074034 -0.011809 31O 2dyz -0.141846 0.156411 0.010386 -0.049637 -0.063763 0.049451 31O 2dx2y2 -0.040941 0.173887 -0.137614 0.049206 0.030118 0.048491 31O 2dxy 0.200215 -0.133330 0.157494 -0.042494 -0.112216 -0.235129 31O 1f0 -0.003115 -0.007294 0.000472 0.006266 -0.001329 0.000614 31O 1f+1 -0.000347 0.001157 0.000525 0.002652 -0.001855 0.000713 31O 1f-1 0.000806 -0.001318 -0.000022 -0.004942 -0.002573 -0.006403 31O 1f+2 0.000229 -0.000157 0.002523 -0.000493 -0.001528 -0.003075 31O 1f-2 -0.004056 0.001854 0.003649 -0.005228 0.004916 -0.000130 31O 1f+3 0.002453 0.002217 -0.000819 0.002562 -0.002366 0.002076 31O 1f-3 -0.003374 0.001682 0.004337 0.002886 -0.000485 0.000201 32O 1s -0.004484 0.006924 -0.000483 -0.007367 0.005798 0.000091 32O 2s -0.018439 0.023026 -0.002780 -0.024469 0.020066 -0.000083 32O 3s 0.191472 -0.149585 0.037260 0.168492 -0.162591 0.008564 32O 4s -0.558004 0.260461 -0.120367 -0.255563 0.278846 -0.048649 32O 5s 0.193307 -0.030566 -0.070665 -0.269585 0.368828 0.085557 32O 1pz 0.048447 -0.006663 -0.010008 -0.003161 -0.000662 -0.015744 32O 1px -0.083629 0.047144 -0.048034 -0.026988 0.019718 -0.019212 32O 1py 0.022856 0.002038 0.022620 0.040817 -0.040309 -0.007670 32O 2pz -0.171230 -0.039102 0.305474 -0.117260 -0.070325 0.184914 32O 2px 0.063012 -0.071704 0.128239 0.078872 -0.196226 0.081966 32O 2py -0.152627 0.047792 -0.077657 -0.118604 0.160191 -0.011534 32O 3pz 0.044001 0.002286 -0.213439 0.039152 0.011783 -0.059349 32O 3px 0.021369 0.009507 -0.106212 -0.161770 0.244597 -0.010883 32O 3py -0.187516 0.195592 -0.055631 -0.118281 0.054507 0.018878 32O 1dz2 -0.000735 0.002593 -0.005968 0.002436 -0.001021 -0.001508 32O 1dxz -0.003787 -0.000786 0.001836 0.000163 -0.003760 0.002312 32O 1dyz 0.002833 -0.000010 -0.005170 0.002125 0.001988 -0.002803 32O 1dx2y2 0.000644 0.000745 0.004899 -0.003325 0.003532 0.000982 32O 1dxy -0.001522 0.002108 -0.000055 0.001544 0.003633 -0.002768 32O 2dz2 -0.029194 0.004410 0.100648 -0.062115 -0.087266 0.021636 32O 2dxz -0.161287 0.102632 -0.278335 0.067530 0.094229 -0.041048 32O 2dyz 0.046869 -0.030137 -0.141223 0.071675 0.088456 -0.006152 32O 2dx2y2 0.350014 -0.252309 0.040360 0.011304 0.220374 0.022250 32O 2dxy -0.138869 0.085808 -0.076855 -0.028876 0.053508 -0.016349 32O 1f0 -0.021244 0.009024 -0.002668 -0.010050 0.009689 0.000936 32O 1f+1 0.009067 -0.007599 0.010306 0.001908 -0.007260 0.004319 32O 1f-1 -0.018820 0.001472 0.008364 -0.014920 0.012112 0.007185 32O 1f+2 0.013146 -0.004640 -0.003374 0.006550 -0.000145 -0.002724 32O 1f-2 -0.003124 0.007244 -0.020263 -0.002651 0.016754 -0.012037 32O 1f+3 0.001560 -0.002433 0.007736 -0.000104 -0.003117 0.003648 32O 1f-3 -0.001310 -0.001947 0.011706 0.002843 -0.006639 0.004918 33O 1s 0.000676 -0.002194 -0.000946 0.000063 -0.003070 0.003744 33O 2s 0.002443 -0.003919 -0.002253 -0.000972 -0.008005 0.009288 33O 3s -0.016709 -0.032112 -0.012054 0.013694 0.019253 -0.012807 33O 4s 0.025135 0.429851 0.063287 -0.117069 0.037905 -0.146111 33O 5s 0.125877 -1.262566 1.382271 0.945229 0.518651 -0.266181 33O 1pz 0.093333 -0.042151 0.044421 0.057503 0.025430 -0.023535 33O 1px 0.013677 0.050721 -0.041634 -0.011574 0.008818 -0.030605 33O 1py 0.032868 0.031823 -0.016207 0.004968 0.020132 0.016251 33O 2pz -0.077079 0.063839 0.154052 0.030744 0.043285 -0.095324 33O 2px 0.024171 -0.115023 -0.110556 -0.009370 -0.050179 0.139387 33O 2py -0.018656 -0.059752 0.075708 0.013138 -0.045049 -0.045049 33O 3pz 0.260179 -0.411606 0.341091 0.566106 0.099573 0.005469 33O 3px 0.091348 0.444268 -0.465741 -0.431266 -0.184530 0.008512 33O 3py 0.135225 0.226733 -0.094318 0.047958 0.208655 0.142551 33O 1dz2 -0.003058 0.001612 -0.000405 0.004139 0.005332 0.001136 33O 1dxz -0.004326 0.005100 0.001013 -0.004390 0.003447 -0.003745 33O 1dyz -0.005216 -0.003895 0.000857 0.002167 -0.009333 0.003278 33O 1dx2y2 0.002082 0.002589 -0.002534 0.003529 0.005960 0.007154 33O 1dxy -0.000704 -0.000331 0.000488 -0.000297 -0.001201 0.000933 33O 2dz2 0.123557 -0.120333 0.096837 0.173023 0.122225 -0.038981 33O 2dxz -0.153577 0.249514 -0.232537 -0.200578 0.010890 -0.041933 33O 2dyz -0.055905 -0.129270 0.031770 0.076366 -0.036673 0.116274 33O 2dx2y2 -0.053838 -0.022462 0.042089 0.100182 0.067528 0.094465 33O 2dxy -0.088430 -0.072730 0.001718 0.040004 -0.052592 -0.046581 33O 1f0 -0.001103 0.002840 -0.000687 0.000036 0.005987 0.003475 33O 1f+1 0.000681 -0.006147 -0.006154 -0.000531 -0.004340 0.006423 33O 1f-1 -0.005235 0.003239 0.005025 0.001625 -0.001234 -0.005916 33O 1f+2 -0.001041 0.007084 0.002298 -0.000607 0.006584 -0.008241 33O 1f-2 0.000264 -0.002191 -0.003922 0.000802 -0.001911 0.005755 33O 1f+3 -0.001243 0.003868 0.001234 0.000386 0.001506 -0.003458 33O 1f-3 0.000222 -0.002794 -0.001234 -0.002020 -0.003337 0.000684 34O 1s 0.000246 0.005501 0.001065 -0.000589 -0.001387 -0.000769 34O 2s 0.001447 0.013936 0.003759 0.000140 -0.004153 -0.002610 34O 3s -0.032855 -0.009279 -0.030338 -0.033887 0.009082 0.023317 34O 4s 0.153730 -0.444317 0.149908 0.265731 0.076177 -0.082882 34O 5s 0.303001 0.550930 0.220531 -0.776346 0.153013 -0.153208 34O 1pz 0.024445 -0.077621 0.026948 0.012550 0.014101 0.005184 34O 1px 0.030931 -0.014074 0.017651 -0.072015 0.001194 -0.000079 34O 1py -0.054386 -0.001541 0.013814 0.060798 -0.055712 -0.060716 34O 2pz -0.001383 0.086250 0.004327 -0.019775 -0.031064 -0.040530 34O 2px 0.072855 -0.139353 0.098496 0.135720 0.066873 -0.103802 34O 2py -0.006729 -0.004145 -0.058650 -0.036538 0.000605 0.077023 34O 3pz 0.146105 -0.127419 -0.100453 -0.150984 0.091020 0.133354 34O 3px 0.241576 0.078769 0.094393 -0.536600 0.241838 0.030350 34O 3py -0.480705 -0.124855 0.211422 0.042387 -0.143897 -0.230511 34O 1dz2 0.000516 0.000518 0.000454 0.008145 -0.006291 -0.006517 34O 1dxz -0.001513 0.002839 0.001457 0.002714 -0.002533 -0.005647 34O 1dyz 0.002134 -0.003737 -0.003738 -0.003256 0.001968 0.007324 34O 1dx2y2 0.004685 0.000204 -0.006118 -0.001486 -0.000735 -0.000329 34O 1dxy -0.000858 -0.006816 0.001015 0.001514 -0.002249 -0.000048 34O 2dz2 -0.058199 -0.050824 0.026011 0.197477 -0.165075 -0.138316 34O 2dxz 0.050288 -0.062478 0.069351 -0.053476 -0.081133 -0.064615 34O 2dyz 0.097086 -0.057933 -0.022213 0.027288 0.053583 0.128374 34O 2dx2y2 0.153327 -0.118215 0.018538 -0.180589 -0.043640 -0.100878 34O 2dxy -0.292562 -0.219699 0.073956 0.143939 -0.052294 -0.042688 34O 1f0 -0.002321 -0.000649 0.000204 0.000619 -0.002803 0.002356 34O 1f+1 -0.001563 0.006838 -0.001926 -0.004935 -0.001347 0.005364 34O 1f-1 0.000935 -0.001501 0.001186 0.000084 0.002864 0.003668 34O 1f+2 0.001199 -0.003395 -0.001103 -0.002376 -0.001923 -0.000595 34O 1f-2 0.000018 -0.003128 -0.002803 -0.004236 0.000682 0.004729 34O 1f+3 -0.000647 0.000516 0.001670 -0.006564 -0.002211 -0.002391 34O 1f-3 0.001752 -0.000906 -0.004803 0.008872 0.005138 -0.000082 35O 1s 0.000326 0.004626 -0.001047 -0.005997 -0.001146 -0.001355 35O 2s 0.001254 0.011484 -0.003619 -0.015665 -0.004262 -0.002432 35O 3s -0.022931 -0.000946 0.006903 0.008317 0.033521 -0.021327 35O 4s 0.187720 -0.372351 -0.027303 0.433431 -0.069098 0.175201 35O 5s 0.549592 -0.090237 1.583477 0.490126 -0.170698 0.251627 35O 1pz -0.006429 0.017480 0.038451 -0.020468 0.044679 0.023173 35O 1px -0.012327 0.014397 0.080670 -0.025173 0.034718 -0.010495 35O 1py 0.003017 -0.031031 0.077216 -0.011598 0.031062 -0.031635 35O 2pz 0.067732 -0.029325 -0.013589 0.048819 -0.048721 0.017624 35O 2px 0.173781 -0.181197 0.030599 0.292117 -0.077835 0.153753 35O 2py 0.108281 -0.049990 -0.017134 0.143205 -0.042062 0.095531 35O 3pz -0.073226 -0.085469 0.390959 0.048851 -0.170235 0.098376 35O 3px 0.143597 -0.198550 1.134448 0.490307 -0.081867 0.010511 35O 3py 0.020767 -0.181823 0.683114 0.258517 0.045136 0.028947 35O 1dz2 0.004356 0.000629 -0.005558 0.001690 0.000461 -0.000096 35O 1dxz -0.000506 0.004707 -0.003734 -0.001257 -0.000024 0.002351 35O 1dyz 0.003272 0.002916 -0.001429 0.000934 -0.002554 -0.000569 35O 1dx2y2 -0.003606 0.001411 0.007500 -0.002615 0.004108 -0.005245 35O 1dxy -0.001357 0.003555 0.004250 -0.000396 0.003008 -0.001789 35O 2dz2 -0.039970 0.107861 -0.274456 -0.078419 -0.062991 0.011844 35O 2dxz 0.034568 0.097684 0.074218 -0.085632 -0.078693 0.139461 35O 2dyz 0.003800 0.103311 0.088581 0.003241 0.007536 -0.006741 35O 2dx2y2 -0.066999 0.017681 0.244160 -0.024085 0.010741 -0.034505 35O 2dxy 0.026715 0.017627 0.335385 0.048506 0.114785 -0.001257 35O 1f0 0.002518 0.002079 0.002008 -0.004192 0.002213 -0.006316 35O 1f+1 0.000238 0.002442 0.000795 -0.002399 0.004693 -0.005522 35O 1f-1 0.003146 -0.001599 0.001389 0.000277 -0.000537 -0.000951 35O 1f+2 -0.003329 -0.001501 0.000728 0.000056 0.003172 -0.000076 35O 1f-2 0.002530 -0.002435 -0.007021 0.005361 -0.005052 0.009216 35O 1f+3 -0.001477 0.002715 -0.001749 0.000312 0.003807 -0.000821 35O 1f-3 -0.004862 0.008803 0.001013 -0.013471 0.003237 -0.006952 402 403 404 405 406 407 2.19166 2.20338 2.21371 2.22076 2.22143 2.23368 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s -0.000254 -0.001371 0.000064 0.001141 0.000094 0.000039 0Rh 2s 0.002200 0.005355 -0.000022 -0.006279 0.000768 -0.000076 0Rh 3s -0.000151 -0.004808 0.000365 0.002896 0.001027 0.000183 0Rh 4s -0.011206 -0.026922 0.000115 0.031888 -0.003797 0.000347 0Rh 5s 0.022605 0.030526 0.001217 -0.052227 0.010492 0.000605 0Rh 6s -0.023542 0.051214 -0.005343 0.015510 -0.013350 -0.005690 0Rh 7s 0.181631 -0.127572 -0.019099 -0.424775 -0.110870 0.028272 0Rh 8s 0.185093 0.843103 -0.156903 -0.311548 -0.514650 -0.091796 0Rh 1pz 0.003569 0.001255 0.000656 0.000887 -0.000146 -0.000613 0Rh 1px 0.004937 0.004355 -0.000128 -0.012820 -0.001878 -0.000286 0Rh 1py 0.000862 0.000697 0.001798 -0.002778 0.002108 -0.003211 0Rh 2pz -0.012332 -0.003867 -0.002409 -0.003277 0.000706 0.002223 0Rh 2px -0.017177 -0.016406 0.000619 0.045021 0.006608 0.000899 0Rh 2py -0.002988 -0.002845 -0.005824 0.009508 -0.007014 0.011442 0Rh 3pz 0.003253 -0.009381 0.003761 0.005672 -0.004569 -0.002773 0Rh 3px 0.007372 0.033281 -0.003754 -0.026780 -0.004567 0.001704 0Rh 3py 0.000011 0.010464 -0.006909 -0.000800 -0.004050 -0.009878 0Rh 4pz 0.070309 0.066121 0.000070 -0.001687 0.013897 -0.003561 0Rh 4px 0.084876 -0.025745 0.010957 -0.196095 -0.024431 -0.013620 0Rh 4py 0.022788 -0.024033 0.067333 -0.060976 0.065176 -0.038037 0Rh 5pz -0.125009 -0.127838 0.003004 -0.001711 -0.029860 -0.000304 0Rh 5px -0.154162 0.057187 -0.022825 0.364798 0.033628 0.030459 0Rh 5py -0.045370 0.045980 -0.122594 0.120279 -0.123549 0.063748 0Rh 6pz -0.373136 0.208527 -0.015294 0.187590 0.492799 0.418807 0Rh 6px -0.011179 -0.802974 0.278676 -0.075186 0.610245 -0.131357 0Rh 6py -0.061410 -0.524239 -0.074753 -0.421146 -0.235595 0.695389 0Rh 1dz2 0.000887 0.000311 0.011758 -0.000169 -0.009429 0.006652 0Rh 1dxz 0.004527 0.010973 0.004645 -0.012065 -0.016151 -0.008196 0Rh 1dyz -0.004599 0.001936 0.004952 -0.005599 0.003211 0.014975 0Rh 1dx2y2 -0.007193 -0.009808 0.010892 0.009496 -0.012612 0.004442 0Rh 1dxy 0.006526 0.004488 0.005055 0.011454 0.003079 -0.015131 0Rh 2dz2 0.000189 0.000485 -0.001990 -0.001114 0.000735 0.001868 0Rh 2dxz -0.001886 -0.000373 -0.000421 0.000374 -0.000193 0.000442 0Rh 2dyz 0.001065 -0.000320 -0.001235 0.000905 -0.000614 0.005883 0Rh 2dx2y2 -0.000872 -0.000152 -0.000798 0.000406 0.003686 0.000573 0Rh 2dxy 0.000304 -0.000458 -0.002021 0.000304 -0.000561 0.003870 0Rh 3dz2 -0.003234 -0.002864 -0.022378 0.005230 0.022085 -0.026344 0Rh 3dxz -0.003788 -0.027352 -0.010508 0.030401 0.044103 0.019995 0Rh 3dyz 0.007443 -0.003581 -0.007079 0.010842 -0.005933 -0.066544 0Rh 3dx2y2 0.022703 0.026600 -0.025367 -0.027074 0.017263 -0.014489 0Rh 3dxy -0.018599 -0.009922 -0.004283 -0.031788 -0.005883 0.022959 0Rh 4dz2 0.003425 0.005963 -0.032310 -0.014613 0.008643 0.030304 0Rh 4dxz -0.025383 -0.008974 -0.007052 0.007788 -0.004602 0.006912 0Rh 4dyz 0.015863 -0.007247 -0.029868 0.014411 -0.007339 0.090314 0Rh 4dx2y2 -0.009146 -0.000258 -0.014389 0.005743 0.055733 0.009718 0Rh 4dxy 0.001603 -0.007086 -0.034110 0.002529 -0.005024 0.061891 0Rh 5dz2 -0.008215 -0.008882 0.190627 0.034462 -0.041523 -0.098927 0Rh 5dxz 0.097410 0.103357 0.050159 -0.100203 -0.013696 -0.056593 0Rh 5dyz -0.049756 0.060063 0.268967 -0.072624 -0.004602 -0.292505 0Rh 5dx2y2 -0.005688 -0.046313 0.102958 0.027805 -0.261585 -0.033040 0Rh 5dxy 0.042959 0.044509 0.207757 0.045197 0.002184 -0.310906 0Rh 1f0 -0.290876 0.130923 0.033104 -0.148861 0.146135 0.007374 0Rh 1f+1 -0.220081 0.015969 -0.051633 -0.119310 0.312413 -0.029405 0Rh 1f-1 -0.071531 0.072702 0.009787 0.029962 -0.063085 0.049301 0Rh 1f+2 -0.064996 0.161869 -0.048004 -0.124306 0.015077 0.055130 0Rh 1f-2 0.120733 -0.047340 -0.060162 0.051549 -0.093473 -0.000616 0Rh 1f+3 -0.184932 0.074786 -0.013957 -0.030387 0.026703 0.052730 0Rh 1f-3 0.215749 -0.213927 0.179901 0.131613 0.005958 -0.113721 1Rh 1s -0.000268 0.001343 -0.000126 0.001110 0.000416 -0.000054 1Rh 2s 0.002365 -0.005188 0.000370 -0.005652 -0.003242 0.000484 1Rh 3s -0.000136 0.004749 -0.000515 0.003096 0.000473 -0.000021 1Rh 4s -0.012037 0.026078 -0.001879 0.028741 0.016354 -0.002479 1Rh 5s 0.024254 -0.029142 0.001710 -0.045591 -0.029465 0.005172 1Rh 6s -0.024645 -0.051330 0.004401 0.010086 0.013263 -0.005851 1Rh 7s 0.186787 0.121233 0.036584 -0.430188 -0.058849 0.014734 1Rh 8s 0.155333 -0.852724 0.169609 -0.462031 0.319176 -0.123799 1Rh 1pz -0.003259 0.001337 0.000643 -0.000683 -0.000372 0.000490 1Rh 1px -0.004987 0.004639 -0.000615 0.012311 0.003771 0.000407 1Rh 1py -0.000978 0.000575 0.001671 0.001466 0.003223 0.003115 1Rh 2pz 0.011244 -0.004141 -0.002364 0.002433 0.001554 -0.001812 1Rh 2px 0.017412 -0.017403 0.002323 -0.043203 -0.013222 -0.001380 1Rh 2py 0.003370 -0.002411 -0.005377 -0.005080 -0.010868 -0.011115 1Rh 3pz -0.002597 -0.009558 0.003806 -0.002462 -0.006385 0.002916 1Rh 3px -0.008732 0.033871 -0.004675 0.025220 0.007009 -0.000248 1Rh 3py 0.000277 0.010109 -0.007137 0.001930 -0.002950 0.009935 1Rh 4pz -0.065761 0.068739 -0.000493 -0.005865 0.015849 0.000150 1Rh 4px -0.081014 -0.021353 0.003201 0.189349 0.062806 0.010910 1Rh 4py -0.026607 -0.025556 0.065249 0.025844 0.086677 0.035556 1Rh 5pz 0.116916 -0.132568 0.003982 0.017238 -0.030536 0.006631 1Rh 5px 0.147480 0.048842 -0.008589 -0.347138 -0.128419 -0.025103 1Rh 5py 0.052534 0.048562 -0.118865 -0.053321 -0.165979 -0.059068 1Rh 6pz 0.419649 0.209101 0.002808 -0.381139 0.359440 -0.401073 1Rh 6px 0.038782 -0.802857 0.278930 -0.169284 0.597339 0.101809 1Rh 6py 0.064386 -0.507007 -0.070824 0.506852 -0.063295 -0.693798 1Rh 1dz2 -0.000236 -0.000122 -0.011654 -0.004853 0.008667 0.006555 1Rh 1dxz 0.005866 -0.011505 -0.003955 -0.017838 0.008924 -0.008635 1Rh 1dyz -0.004256 -0.002114 -0.004818 -0.003689 -0.005024 0.015050 1Rh 1dx2y2 -0.007583 0.009546 -0.011380 0.002743 0.015175 0.004035 1Rh 1dxy 0.006239 -0.004094 -0.004892 0.011665 0.001048 -0.014976 1Rh 2dz2 0.000138 -0.000504 0.002026 -0.000601 -0.001124 0.001980 1Rh 2dxz -0.002029 0.000393 0.000419 0.000255 0.000261 0.000407 1Rh 2dyz 0.001040 0.000349 0.001132 0.000529 0.001146 0.005860 1Rh 2dx2y2 -0.000592 0.000200 0.000793 0.001990 -0.003031 0.000580 1Rh 2dxy 0.000325 0.000432 0.001951 0.000006 0.000845 0.003836 1Rh 3dz2 -0.000025 0.002444 0.021948 0.015551 -0.018384 -0.026571 1Rh 3dxz -0.006679 0.028668 0.008684 0.046411 -0.025168 0.021313 1Rh 3dyz 0.006642 0.003921 0.007184 0.007373 0.008352 -0.066644 1Rh 3dx2y2 0.022477 -0.026116 0.026693 -0.016107 -0.026994 -0.013427 1Rh 3dxy -0.017949 0.008994 0.004159 -0.031116 -0.006370 0.022699 1Rh 4dz2 0.002798 -0.006221 0.032750 -0.008170 -0.013748 0.031751 1Rh 4dxz -0.027996 0.009477 0.006904 0.005023 0.006597 0.006583 1Rh 4dyz 0.015576 0.007772 0.028328 0.009732 0.016001 0.090013 1Rh 4dx2y2 -0.004724 0.000949 0.014251 0.029749 -0.045862 0.009746 1Rh 4dxy 0.002242 0.006649 0.033023 -0.000063 0.008985 0.061373 1Rh 5dz2 -0.011001 0.010768 -0.191304 0.005407 0.052296 -0.102443 1Rh 5dxz 0.114564 -0.108158 -0.045813 -0.096290 -0.029937 -0.056708 1Rh 5dyz -0.051479 -0.063170 -0.263283 -0.071140 -0.038580 -0.291651 1Rh 5dx2y2 -0.024929 0.042423 -0.104598 -0.090153 0.237896 -0.035067 1Rh 5dxy 0.036996 -0.041754 -0.203347 0.039908 -0.000708 -0.308810 1Rh 1f0 0.313483 0.138091 0.031074 0.067867 0.195365 -0.012253 1Rh 1f+1 0.236885 0.017521 -0.052146 -0.032986 0.331786 0.026544 1Rh 1f-1 0.069845 0.072273 0.012627 0.001540 -0.074847 -0.051750 1Rh 1f+2 0.061274 0.164251 -0.049950 0.100349 0.061814 -0.054178 1Rh 1f-2 -0.127835 -0.049117 -0.058192 -0.005308 -0.109240 0.006277 1Rh 1f+3 0.188946 0.073090 -0.013965 0.014660 0.031929 -0.053616 1Rh 1f-3 -0.222532 -0.220224 0.175653 -0.115193 -0.039321 0.118757 2C 1s -0.000487 0.000599 -0.003024 0.000282 -0.000497 0.000882 2C 2s 0.002062 0.009380 0.003657 -0.010707 -0.001115 0.019421 2C 3s -0.012592 -0.131515 -0.022179 0.140390 0.006518 -0.299798 2C 4s 0.007300 0.431314 0.197390 -0.467907 0.040041 1.141515 2C 5s -0.223321 -2.306776 -2.994866 2.974829 0.149548 -5.114758 2C 1pz 0.122094 -0.051120 0.201354 0.002581 -0.048383 0.069303 2C 1px -0.074338 -0.000833 -0.137594 0.079582 -0.027788 0.004310 2C 1py -0.120440 0.086341 0.010695 -0.114151 0.096623 0.021416 2C 2pz -0.194377 0.311021 0.008657 -0.311590 0.135554 0.567128 2C 2px 0.191197 -0.008729 0.472660 -0.276175 -0.003597 0.273980 2C 2py 0.308783 0.027234 0.252935 -0.009036 -0.105958 0.441879 2C 3pz -0.009296 -0.589073 -0.600984 0.704518 -0.003153 -1.018182 2C 3px 0.004649 -0.022048 -0.286705 0.125824 -0.074816 -0.395795 2C 3py -0.168303 -0.190740 -0.493018 0.355250 0.122316 -0.709322 2C 1dz2 -0.014545 -0.011401 -0.020529 0.007230 -0.012373 -0.012082 2C 1dxz -0.001149 0.003215 0.024348 -0.033034 -0.005265 0.011628 2C 1dyz -0.000515 -0.004253 -0.023804 0.017917 0.004716 -0.004359 2C 1dx2y2 -0.015545 -0.039202 0.003874 0.013265 -0.000733 0.004466 2C 1dxy 0.003045 0.018909 0.004170 -0.011635 0.000847 0.006384 2C 2dz2 -0.150577 0.141321 -0.084560 -0.113394 0.125115 0.092675 2C 2dxz 0.058427 0.075342 0.118634 -0.067509 0.115221 0.035829 2C 2dyz -0.006955 0.016774 0.021379 -0.029560 -0.025253 0.211603 2C 2dx2y2 -0.140104 0.125888 -0.125751 -0.075230 0.077575 0.001955 2C 2dxy 0.132193 -0.172387 0.175116 0.091700 -0.132935 0.075447 2C 1f0 -0.038310 -0.050140 -0.047107 0.029026 0.000457 -0.031595 2C 1f+1 0.011869 -0.008732 0.020748 0.001736 -0.018907 0.039295 2C 1f-1 0.021418 0.029914 0.036338 -0.026745 -0.000189 0.031894 2C 1f+2 0.021817 0.054546 0.078216 -0.069960 -0.003011 0.069466 2C 1f-2 -0.038648 -0.041437 -0.079926 0.054495 0.007083 -0.107966 2C 1f+3 0.012451 0.073112 0.128195 -0.125502 0.016216 0.164366 2C 1f-3 0.006528 -0.005627 0.015225 -0.003940 -0.006197 0.052079 3C 1s 0.000104 0.001314 0.001308 0.001015 -0.000366 -0.000077 3C 2s 0.000249 0.003998 -0.005240 -0.010448 -0.009881 -0.016377 3C 3s -0.013496 -0.069680 0.037997 0.156722 0.125005 0.278767 3C 4s 0.066721 0.271217 -0.125115 -0.601203 -0.327426 -1.127723 3C 5s -1.009732 -0.274420 2.380986 3.730725 3.037829 4.908880 3C 1pz -0.001630 -0.009723 -0.097115 -0.104493 -0.123528 -0.029442 3C 1px 0.063910 0.093839 0.113985 0.050470 -0.078370 -0.022996 3C 1py 0.032671 0.065606 0.092133 0.050075 -0.083476 0.057516 3C 2pz -0.007922 0.121935 0.132147 -0.019504 0.125210 -0.296755 3C 2px -0.195934 -0.256647 -0.396979 -0.247511 0.105196 -0.317387 3C 2py -0.061745 -0.171552 0.048000 0.371134 0.327875 0.635183 3C 3pz -0.156310 0.002529 0.283044 0.450477 0.362444 0.515974 3C 3px -0.011839 0.143889 0.251864 0.286311 0.091952 0.495892 3C 3py 0.237350 0.113735 -0.501507 -0.821697 -0.705557 -1.038940 3C 1dz2 -0.011628 -0.001347 0.005297 0.003249 -0.002071 0.000114 3C 1dxz 0.017730 0.030309 -0.020993 -0.024562 -0.020055 -0.003208 3C 1dyz 0.009646 -0.007534 -0.028280 -0.028457 -0.017260 -0.013198 3C 1dx2y2 -0.019369 -0.005034 -0.013404 0.008638 0.006018 -0.005051 3C 1dxy -0.004115 0.008612 0.013655 0.008905 0.002746 0.011846 3C 2dz2 0.026162 0.035144 0.057316 0.022413 -0.013610 0.068512 3C 2dxz -0.106036 -0.156816 -0.088893 -0.040000 0.203573 -0.003912 3C 2dyz -0.061530 -0.032650 -0.062813 0.038777 -0.040912 0.197027 3C 2dx2y2 -0.015136 -0.129792 -0.029831 0.063174 0.203399 0.085249 3C 2dxy 0.094791 0.030734 0.089301 0.036830 0.006190 0.101203 3C 1f0 -0.017410 -0.008847 0.062632 0.104486 0.078079 0.114490 3C 1f+1 -0.022558 -0.020203 0.035078 0.052323 0.029495 0.020948 3C 1f-1 0.006882 -0.014859 0.045640 0.073910 0.034615 0.087978 3C 1f+2 -0.008834 -0.011313 -0.074755 -0.092059 -0.061989 -0.128404 3C 1f-2 0.021802 0.016037 -0.048670 -0.074271 -0.045989 -0.059788 3C 1f+3 0.010667 0.008995 -0.036850 -0.045549 -0.004429 -0.049022 3C 1f-3 0.018081 0.027463 0.004413 0.011821 0.000896 0.055698 4C 1s 0.001476 0.000593 -0.005418 -0.002440 0.002877 -0.022107 4C 2s 0.005429 0.001760 -0.014390 -0.007376 0.009974 -0.072100 4C 3s -0.019978 0.048093 0.048849 -0.096489 -0.169976 0.659472 4C 4s -0.239627 -0.494847 -0.167400 1.309911 0.547329 -1.167181 4C 5s 0.223854 1.186817 1.975930 -1.383329 0.273602 3.513595 4C 1pz -0.080988 -0.034819 -0.292360 0.196026 -0.062076 -0.189521 4C 1px -0.044603 -0.245116 0.149033 0.029002 0.082146 0.101132 4C 1py -0.003575 -0.135148 -0.086190 0.163773 -0.031794 -0.067065 4C 2pz 0.154107 0.216878 0.721053 -0.324539 0.281681 0.890099 4C 2px -0.043007 0.373968 -0.284076 -0.092932 -0.268484 0.194433 4C 2py -0.085798 0.294299 0.272550 -0.286690 0.137100 0.582840 4C 3pz 0.085792 -0.787457 -1.350699 1.179654 0.228668 -2.313830 4C 3px -0.321151 -0.363665 -0.271231 0.128179 0.232610 0.150557 4C 3py 0.086587 -0.772540 -0.861939 0.912239 0.044407 -1.341275 4C 1dz2 0.000251 -0.012418 0.001022 0.008863 0.011255 0.006399 4C 1dxz -0.000578 0.021489 -0.042234 -0.004263 0.012894 -0.029345 4C 1dyz -0.018731 -0.013485 -0.039505 0.012242 0.000552 -0.014536 4C 1dx2y2 0.001421 0.019547 0.013317 -0.023624 0.027774 -0.001397 4C 1dxy 0.037264 0.025551 -0.004963 0.009034 -0.019397 -0.028711 4C 2dz2 -0.314540 0.162462 -0.356959 -0.185657 0.214669 -0.253312 4C 2dxz 0.232699 -0.004760 0.086447 -0.080519 -0.218727 -0.113097 4C 2dyz 0.195928 -0.202802 -0.008631 0.200866 -0.147561 -0.273870 4C 2dx2y2 0.016977 -0.019817 0.246178 0.069505 0.103743 0.180321 4C 2dxy -0.072809 0.157792 0.005605 -0.103535 0.123061 -0.012246 4C 1f0 -0.016228 -0.016168 -0.004679 -0.001375 -0.004322 -0.015189 4C 1f+1 -0.007233 -0.006083 0.013168 -0.031533 -0.001248 0.013325 4C 1f-1 -0.013052 -0.015268 -0.068041 0.036008 -0.017167 -0.050205 4C 1f+2 -0.015170 0.004633 0.008003 -0.017959 0.004316 0.004751 4C 1f-2 -0.011480 -0.025671 -0.006632 0.013576 0.003470 0.010065 4C 1f+3 0.023524 -0.005696 -0.006969 -0.003699 -0.004140 -0.001806 4C 1f-3 0.020721 0.032545 -0.015468 -0.012077 0.006759 -0.011390 5C 1s 0.002888 0.000335 -0.001569 0.002393 -0.006722 0.020952 5C 2s 0.007986 -0.000334 -0.007238 0.008422 -0.022272 0.069014 5C 3s 0.030808 -0.046757 0.066254 -0.280632 0.029259 -0.689881 5C 4s -0.579460 0.292510 0.241777 1.798409 0.994666 1.515306 5C 5s 0.056764 0.448638 -1.253764 -1.650479 -0.921734 -3.151973 5C 1pz 0.037691 0.096329 0.161707 0.143196 0.094012 0.108208 5C 1px -0.228212 -0.306338 -0.037791 0.083268 0.212301 -0.013314 5C 1py -0.016736 -0.032577 -0.183311 -0.214336 -0.119884 -0.159419 5C 2pz -0.238742 -0.035548 -0.295915 -0.355301 -0.159272 -0.444557 5C 2px 0.684182 0.469778 0.083388 0.199095 -0.234494 -0.394221 5C 2py 0.236196 -0.137990 0.373404 0.447577 0.179235 0.793271 5C 3pz -0.406425 0.103964 0.648530 1.015104 0.991801 1.455186 5C 3px -0.311684 -0.257112 0.506592 0.862894 0.682554 0.442570 5C 3py 0.723279 -0.124952 -0.999385 -1.651439 -1.355830 -2.215876 5C 1dz2 -0.001752 -0.022427 -0.002873 0.014066 0.014213 -0.012358 5C 1dxz 0.031999 0.031570 0.000830 -0.006830 0.032638 0.008601 5C 1dyz 0.005898 0.018996 0.001349 -0.018217 -0.015320 -0.005532 5C 1dx2y2 0.021455 -0.000928 -0.027504 -0.018138 -0.033412 0.008017 5C 1dxy -0.041575 -0.043185 -0.041663 -0.001679 0.019115 -0.024284 5C 2dz2 -0.018121 -0.144940 0.047330 -0.046014 0.207575 -0.018470 5C 2dxz 0.164577 0.028994 0.065600 0.010494 -0.193264 0.141103 5C 2dyz 0.090090 0.013444 -0.102460 -0.179618 -0.076940 -0.284985 5C 2dx2y2 -0.048625 0.019832 -0.086481 0.080634 0.363438 -0.248615 5C 2dxy -0.040798 0.197300 0.212583 -0.054722 -0.173786 -0.165773 5C 1f0 -0.007166 -0.007995 -0.042042 -0.022101 -0.019803 -0.026361 5C 1f+1 0.018896 0.009631 -0.004314 -0.010066 -0.031031 0.005243 5C 1f-1 0.009517 -0.020651 -0.010383 -0.003791 -0.004554 -0.008956 5C 1f+2 0.004394 0.005469 -0.031632 -0.042984 -0.018228 -0.038534 5C 1f-2 0.034106 0.038192 0.003421 -0.021555 -0.016938 0.003094 5C 1f+3 0.013517 -0.003836 0.009592 -0.006645 -0.010610 0.005387 5C 1f-3 -0.002959 0.000605 -0.006791 0.022278 0.020356 -0.007394 6C 1s 0.002440 -0.000372 0.001619 -0.001062 0.007663 0.020857 6C 2s 0.006520 0.000241 0.007423 -0.003046 0.025557 0.068878 6C 3s 0.050543 0.040906 -0.058707 -0.228925 -0.172989 -0.690669 6C 4s -0.634274 -0.241077 -0.311504 2.013006 -0.030463 1.508394 6C 5s 0.076892 -0.482594 1.304157 -1.818939 0.055185 -3.107021 6C 1pz -0.040094 0.092273 0.166947 -0.166688 0.017409 -0.101247 6C 1px 0.222540 -0.310860 -0.036173 -0.162090 0.158194 0.006121 6C 1py 0.013719 -0.026786 -0.192984 0.239622 -0.006641 0.150688 6C 2pz 0.244176 -0.025205 -0.301997 0.378688 0.019518 0.432363 6C 2px -0.673985 0.468133 0.085447 -0.086907 -0.277365 0.401602 6C 2py -0.224737 -0.148902 0.387852 -0.462288 -0.056981 -0.778049 6C 3pz 0.418450 0.071113 0.679115 -1.310461 0.410388 -1.435690 6C 3px 0.314849 -0.286954 0.526296 -1.044643 0.245477 -0.436107 6C 3py -0.746919 -0.074203 -1.051128 2.024537 -0.439822 2.189368 6C 1dz2 -0.002982 0.023121 0.001728 0.018614 -0.006825 -0.012864 6C 1dxz 0.031851 -0.031861 -0.001512 0.008984 -0.031240 0.007195 6C 1dyz 0.007023 -0.019317 -0.000537 -0.022124 0.005467 -0.004759 6C 1dx2y2 0.021617 0.000356 0.028469 -0.030081 0.021749 0.008630 6C 1dxy -0.040606 0.043420 0.042253 0.007906 -0.020448 -0.022098 6C 2dz2 -0.008758 0.145569 -0.044435 0.050583 -0.213293 -0.019594 6C 2dxz 0.160489 -0.027085 -0.059030 -0.080388 0.182932 0.135437 6C 2dyz 0.097305 -0.023331 0.107131 -0.187736 -0.023439 -0.279164 6C 2dx2y2 -0.045240 -0.021493 0.082896 0.235230 -0.304538 -0.236836 6C 2dxy -0.045127 -0.197407 -0.217907 -0.118455 0.135821 -0.184590 6C 1f0 0.007444 -0.007192 -0.043090 0.027500 -0.006941 0.024555 6C 1f+1 -0.019725 0.010345 -0.005104 0.022429 -0.023225 -0.004438 6C 1f-1 -0.007674 -0.020455 -0.009476 0.005301 -0.002476 0.008729 6C 1f+2 -0.004885 0.006782 -0.033440 0.045059 0.003206 0.037588 6C 1f-2 -0.032088 0.039213 0.003976 0.026395 -0.007590 -0.002609 6C 1f+3 -0.013744 -0.003683 0.009161 0.010548 -0.006558 -0.004687 6C 1f-3 0.002103 -0.000038 -0.006149 -0.028941 0.008222 0.008103 7C 1s 0.001558 -0.000570 0.005384 -0.000518 -0.003387 -0.021683 7C 2s 0.005635 -0.001681 0.014237 -0.001042 -0.011345 -0.070575 7C 3s -0.005486 -0.045481 -0.042004 -0.165392 0.112767 0.645963 7C 4s -0.341986 0.482786 0.118991 1.403477 0.039134 -1.167738 7C 5s 0.331062 -1.205036 -1.917370 -1.178043 -0.839187 3.551164 7C 1pz 0.089749 -0.037496 -0.286860 -0.157583 -0.140317 0.198928 7C 1px 0.048439 -0.241475 0.150825 -0.051559 0.062717 -0.104320 7C 1py 0.013011 -0.136080 -0.080460 -0.132130 -0.098414 0.075155 7C 2pz -0.155840 0.220231 0.711112 0.191640 0.399395 -0.901997 7C 2px 0.022674 0.373465 -0.278728 0.195624 -0.215514 -0.197543 7C 2py 0.066770 0.298429 0.265460 0.205430 0.245018 -0.600804 7C 3pz 0.042771 -0.791656 -1.295452 -1.174422 -0.297220 2.357205 7C 3px 0.311431 -0.355558 -0.248302 -0.203051 0.145322 -0.158850 7C 3py -0.013800 -0.777451 -0.818185 -0.841954 -0.352567 1.378384 7C 1dz2 -0.001303 0.012189 -0.002041 0.012505 -0.005824 0.005381 7C 1dxz -0.001445 -0.021264 0.042655 0.003879 -0.014347 -0.030726 7C 1dyz -0.019127 0.013528 0.039374 0.012281 0.005825 -0.015087 7C 1dx2y2 0.002757 -0.019612 -0.013800 -0.009131 -0.033998 0.000881 7C 1dxy 0.036690 -0.024316 0.005411 0.000538 0.021723 -0.029423 7C 2dz2 -0.308129 -0.158270 0.363079 -0.047585 -0.262757 -0.248528 7C 2dxz 0.224874 0.000036 -0.075111 -0.173566 0.162255 -0.098707 7C 2dyz 0.189697 0.203409 0.004862 0.113507 0.219496 -0.274355 7C 2dx2y2 -0.005082 0.014410 -0.243927 0.093392 -0.074116 0.182834 7C 2dxy -0.086331 -0.164421 -0.008056 -0.042429 -0.159935 -0.000024 7C 1f0 0.013737 -0.016475 -0.005416 0.003022 -0.003391 0.013852 7C 1f+1 0.003755 -0.006223 0.012378 0.028898 0.010916 -0.013857 7C 1f-1 0.015363 -0.016179 -0.067066 -0.026604 -0.030997 0.052096 7C 1f+2 0.013134 0.005307 0.006476 0.013928 0.012882 -0.005248 7C 1f-2 0.012138 -0.025780 -0.005649 -0.013145 -0.003362 -0.009995 7C 1f+3 -0.023889 -0.006270 -0.006957 0.004523 -0.002036 0.002995 7C 1f-3 -0.021054 0.032100 -0.015556 0.006719 0.010536 0.010500 8C 1s 0.000026 -0.001238 -0.001331 0.000659 0.000860 -0.000219 8C 2s 0.000268 -0.004083 0.005744 -0.013543 0.003933 -0.016403 8C 3s -0.016353 0.072845 -0.043948 0.191711 -0.035886 0.280581 8C 4s 0.082148 -0.290050 0.141090 -0.662892 -0.003268 -1.131697 8C 5s -1.055580 0.376055 -2.502661 4.561950 -0.990566 4.843272 8C 1pz 0.003221 -0.004986 -0.098996 0.145747 -0.066109 0.025363 8C 1px -0.057735 0.090464 0.116759 -0.012092 -0.092491 0.027213 8C 1py -0.028744 0.064694 0.095514 -0.005869 -0.101588 -0.051477 8C 2pz -0.005195 0.120171 0.128305 -0.042373 0.135622 0.302063 8C 2px 0.176755 -0.245620 -0.410922 0.170268 0.220500 0.303135 8C 2py 0.065179 -0.184158 0.055169 -0.462784 0.110222 -0.634693 8C 3pz 0.162109 -0.006095 0.299866 -0.550730 0.116674 -0.509677 8C 3px 0.021755 0.133568 0.261961 -0.289191 -0.059845 -0.486390 8C 3py -0.245579 0.136929 -0.527680 1.021105 -0.256966 1.024602 8C 1dz2 -0.010602 0.001159 -0.004578 0.001476 0.002663 0.001277 8C 1dxz 0.019299 -0.031408 0.021950 -0.029239 0.008281 -0.005424 8C 1dyz 0.009813 0.006566 0.028932 -0.031688 0.002501 -0.012987 8C 1dx2y2 -0.017835 0.005405 0.013825 0.011160 -0.002455 -0.005097 8C 1dxy -0.004695 -0.007951 -0.013719 0.008867 0.000894 0.013035 8C 2dz2 0.026552 -0.032184 -0.056381 0.013636 0.024315 0.063841 8C 2dxz -0.101666 0.155823 0.090779 0.050970 -0.208137 0.010994 8C 2dyz -0.064518 0.032750 0.063307 0.010424 0.061826 0.203771 8C 2dx2y2 -0.015991 0.131779 0.028760 0.142108 -0.153127 0.089352 8C 2dxy 0.091977 -0.028020 -0.093162 0.035404 0.017710 0.092672 8C 1f0 0.018569 -0.012353 0.066651 -0.125974 0.021322 -0.112749 8C 1f+1 0.023198 -0.021965 0.034254 -0.054805 0.003608 -0.017935 8C 1f-1 -0.004535 -0.016519 0.048909 -0.078387 -0.004812 -0.084961 8C 1f+2 0.007180 -0.009508 -0.078405 0.105865 -0.010560 0.124348 8C 1f-2 -0.022703 0.018015 -0.052664 0.086449 -0.007084 0.060844 8C 1f+3 -0.012023 0.009815 -0.039187 0.041654 0.017430 0.050572 8C 1f-3 -0.018778 0.028170 0.004451 -0.009680 -0.007286 -0.051818 9C 1s -0.000492 -0.000553 0.003041 0.000165 0.000710 0.000832 9C 2s 0.002825 -0.009318 -0.003218 -0.010025 -0.003183 0.019666 9C 3s -0.022392 0.129785 0.017294 0.127600 0.048341 -0.300877 9C 4s 0.035272 -0.426928 -0.183416 -0.405926 -0.223375 1.140480 9C 5s -0.470837 2.318910 2.866123 2.773663 1.125497 -5.213884 9C 1pz -0.121864 -0.048965 0.201472 0.028015 -0.039443 -0.070494 9C 1px 0.069683 -0.005329 -0.131867 -0.063877 -0.064910 0.000422 9C 1py 0.118160 0.086679 0.006078 0.056763 0.135839 -0.026886 9C 2pz 0.174087 0.307031 -0.003386 0.215855 0.247808 -0.568060 9C 2px -0.184817 0.001985 0.458151 0.266261 0.123304 -0.285631 9C 2py -0.314358 0.029305 0.262087 0.073106 -0.089234 -0.439168 9C 3pz 0.062708 -0.592195 -0.568860 -0.634487 -0.301297 1.036092 9C 3px 0.003096 -0.031078 -0.279600 -0.092504 -0.128458 0.400465 9C 3py 0.205627 -0.194647 -0.478432 -0.383620 -0.044268 0.728642 9C 1dz2 -0.013559 0.011668 0.021575 0.001770 0.014424 -0.011990 9C 1dxz 0.003319 -0.003528 -0.022738 -0.031716 -0.009353 0.011030 9C 1dyz -0.002192 0.004283 0.022972 0.018346 0.004094 -0.005155 9C 1dx2y2 -0.015574 0.039298 -0.004087 0.010475 0.006332 0.004981 9C 1dxy 0.002880 -0.018069 -0.004524 -0.009276 -0.005592 0.005756 9C 2dz2 -0.147670 -0.138932 0.087147 -0.041170 -0.156992 0.092037 9C 2dxz 0.037612 -0.080652 -0.116139 -0.016637 -0.138730 0.045947 9C 2dyz 0.001048 -0.016580 -0.023781 -0.039136 0.010108 0.208025 9C 2dx2y2 -0.139513 -0.129034 0.128151 -0.024669 -0.101205 -0.000864 9C 2dxy 0.124875 0.167115 -0.170358 0.010834 0.153376 0.078188 9C 1f0 0.040036 -0.050131 -0.046942 -0.026933 -0.012673 0.032293 9C 1f+1 -0.011085 -0.010337 0.019507 0.006575 -0.018538 -0.037857 9C 1f-1 -0.023455 0.030199 0.036075 0.025476 0.012253 -0.033974 9C 1f+2 -0.029524 0.056485 0.078246 0.067662 0.029440 -0.076260 9C 1f-2 0.040508 -0.040603 -0.075805 -0.052792 -0.016778 0.107784 9C 1f+3 -0.020568 0.074269 0.121947 0.107571 0.068774 -0.165131 9C 1f-3 -0.006743 -0.002682 0.020633 0.011516 -0.002255 -0.059420 10H 1s -0.099894 -0.213819 -0.236362 0.245072 -0.006874 -0.177091 10H 2s 0.201833 0.424434 0.473630 -0.412825 0.052385 0.387196 10H 3s -0.032881 -0.050066 0.176256 -0.034798 0.026365 0.393965 10H 1pz 0.018508 -0.045783 -0.005601 0.058971 -0.033983 -0.008470 10H 1px -0.077778 -0.047474 -0.147167 0.073448 -0.032397 -0.025295 10H 1py -0.123845 0.075259 -0.108311 -0.064131 0.092102 -0.030435 11H 1s -0.076047 -0.075321 -0.130894 0.058346 0.028131 -0.237414 11H 2s 0.136542 0.109045 0.461095 -0.289325 -0.136356 0.634337 11H 3s 0.038141 0.106086 0.097183 -0.167809 -0.046764 0.188977 11H 1pz 0.045171 -0.023595 0.142102 -0.057798 -0.003770 0.056453 11H 1px -0.077440 0.001362 -0.048905 0.015171 -0.017207 0.081424 11H 1py -0.133818 0.079970 -0.100720 -0.055567 0.119506 -0.032799 12H 1s 0.039696 -0.015482 -0.131746 0.136521 -0.029465 -0.237640 12H 2s 0.011887 0.241316 0.390554 -0.466343 0.129077 0.634848 12H 3s -0.067174 0.327304 0.036641 -0.205943 0.000438 0.218826 12H 1pz 0.147959 -0.102558 0.098072 0.082056 -0.085978 0.002985 12H 1px -0.047599 -0.015098 -0.066199 0.070705 -0.036868 0.079120 12H 1py 0.018438 0.069630 0.095381 -0.115955 0.056849 0.062642 13H 1s -0.093023 -0.094678 0.200745 0.308839 0.187122 0.192315 13H 2s 0.110410 0.185588 -0.345114 -0.576556 -0.357368 -0.409901 13H 3s -0.062684 -0.128474 -0.084060 -0.084253 -0.010048 -0.330750 13H 1pz 0.019478 0.052116 0.010079 -0.054693 -0.132619 0.001411 13H 1px 0.040883 0.062787 0.128333 0.088613 -0.045597 0.023509 13H 1py -0.007835 -0.008155 -0.059040 -0.027744 -0.090228 -0.006577 14H 1s 0.032314 0.065474 0.057548 0.112058 0.110236 0.227310 14H 2s -0.076218 -0.080590 -0.265501 -0.352653 -0.374373 -0.590268 14H 3s 0.141465 0.223683 -0.118835 -0.229580 -0.267450 -0.217311 14H 1pz -0.048308 -0.037531 -0.121279 -0.104926 -0.085673 -0.003452 14H 1px 0.007089 0.030920 0.022630 0.026722 -0.028114 -0.091244 14H 1py 0.047698 0.057403 0.034297 -0.032020 -0.166117 -0.006890 15H 1s 0.041957 0.005982 0.090122 0.101855 0.021523 0.209925 15H 2s -0.016892 -0.105399 -0.321469 -0.404562 -0.148261 -0.588013 15H 3s 0.100974 0.011592 -0.125057 -0.205586 -0.249334 -0.174332 15H 1pz -0.010460 0.035660 -0.004743 -0.002827 -0.079353 0.054050 15H 1px 0.030670 0.069652 0.080933 0.055428 -0.074498 -0.046089 15H 1py 0.026338 0.052642 0.096624 0.073855 -0.010978 0.068516 16H 1s 0.001317 0.026978 -0.023019 -0.075370 0.086623 -0.054967 16H 2s 0.005058 -0.101468 0.072069 0.248203 -0.336487 0.204481 16H 3s -0.078934 -0.022083 -0.048479 -0.018097 0.170604 -0.052200 16H 1pz 0.006662 0.012315 0.023028 0.063425 -0.155779 0.156003 16H 1px 0.092225 0.086480 0.047958 -0.111636 -0.062054 0.010586 16H 1py 0.048379 0.030334 0.027749 -0.013705 -0.077939 0.053501 17H 1s 0.002849 0.056168 0.023321 -0.096862 0.061813 0.051987 17H 2s -0.049900 -0.197529 -0.087727 0.309834 -0.177132 -0.167405 17H 3s 0.040767 0.078753 0.052069 -0.122029 0.026331 0.108685 17H 1pz 0.072824 0.005203 0.030567 -0.039730 -0.025817 0.039226 17H 1px -0.054681 0.011428 0.041692 -0.074437 0.110010 0.048525 17H 1py -0.077314 -0.054056 -0.054543 0.049258 0.051728 -0.081984 18H 1s 0.009325 -0.058808 -0.017115 -0.062680 -0.102245 0.053278 18H 2s -0.076526 0.207335 0.065065 0.209864 0.311503 -0.168004 18H 3s 0.057813 -0.086243 -0.042387 -0.103143 -0.085294 0.108549 18H 1pz -0.087204 0.011141 0.024621 0.048204 0.003588 -0.039372 18H 1px 0.058378 0.010824 0.035978 0.024272 0.135913 -0.052650 18H 1py 0.094305 -0.061102 -0.047587 -0.068264 0.019034 0.073939 19H 1s 0.006323 -0.024911 0.022650 -0.032279 -0.103939 -0.048014 19H 2s -0.011552 0.092610 -0.069514 0.081238 0.386627 0.181898 19H 3s -0.073446 0.030170 0.043290 0.052253 -0.145176 -0.043463 19H 1pz -0.002254 0.018151 0.019539 0.008780 -0.156480 -0.146121 19H 1px -0.100511 0.095754 0.044484 0.127540 -0.000194 -0.010156 19H 1py -0.048506 0.039472 0.025754 0.045030 -0.054583 -0.051509 20H 1s 0.037279 -0.004658 -0.096987 0.096715 0.034973 0.205058 20H 2s -0.009961 0.098353 0.340008 -0.413721 -0.070329 -0.573126 20H 3s 0.101519 -0.016099 0.131196 -0.288824 0.132300 -0.174082 20H 1pz 0.012568 0.037693 -0.003368 0.038044 -0.073987 -0.054332 20H 1px -0.025215 0.066681 0.082938 -0.018214 -0.089638 0.050963 20H 1py -0.026855 0.050985 0.099843 -0.059251 -0.046778 -0.062127 21H 1s 0.034135 -0.063787 -0.062074 0.146616 -0.040246 0.218602 21H 2s -0.068398 0.072864 0.282995 -0.467913 0.158885 -0.577084 21H 3s 0.141389 -0.229834 0.125138 -0.313729 0.142238 -0.221499 21H 1pz 0.045100 -0.033555 -0.125963 0.130747 -0.030837 -0.000662 21H 1px -0.006694 0.029182 0.023153 -0.015529 -0.032611 0.093404 21H 1py -0.043697 0.058780 0.034888 0.101390 -0.139038 0.010413 22H 1s -0.099117 0.104479 -0.210528 0.349317 -0.030581 0.191836 22H 2s 0.120788 -0.202485 0.364606 -0.657839 0.058742 -0.397239 22H 3s -0.059863 0.124644 0.086286 -0.077792 -0.040322 -0.322113 22H 1pz -0.017590 0.053560 0.008970 0.106752 -0.096349 -0.002085 22H 1px -0.036168 0.058612 0.132130 -0.059568 -0.080792 -0.015765 22H 1py 0.008446 -0.006175 -0.060317 0.063975 -0.069518 0.006193 23H 1s 0.027926 0.018078 0.126091 0.114716 0.083825 -0.244375 23H 2s 0.040697 -0.247913 -0.379808 -0.371886 -0.312671 0.650346 23H 3s -0.054166 -0.323080 -0.030460 -0.177229 -0.082893 0.220486 23H 1pz -0.142456 -0.102082 0.100611 -0.028964 -0.109394 -0.001000 23H 1px 0.043221 -0.018288 -0.061499 -0.049358 -0.069280 -0.072599 23H 1py -0.017891 0.071221 0.092602 0.079946 0.101422 -0.068671 24H 1s -0.077137 0.076067 0.130957 0.070100 -0.001106 -0.239723 24H 2s 0.162755 -0.110610 -0.450898 -0.334214 0.000397 0.644452 24H 3s 0.059337 -0.102883 -0.088149 -0.167339 -0.024876 0.197088 24H 1pz -0.045573 -0.021692 0.139035 0.059486 0.023984 -0.059625 24H 1px 0.070351 -0.001435 -0.045165 -0.007568 -0.026969 -0.080273 24H 1py 0.138681 0.079929 -0.101685 -0.007874 0.129701 0.028906 25H 1s -0.117744 0.214818 0.225723 0.218806 0.115805 -0.181352 25H 2s 0.227188 -0.427541 -0.454286 -0.356921 -0.235565 0.402553 25H 3s -0.030801 0.046719 -0.174195 -0.029135 -0.037595 0.398963 25H 1pz -0.019158 -0.046369 -0.003203 -0.035510 -0.053919 0.011192 25H 1px 0.075051 -0.050758 -0.141539 -0.056817 -0.066583 0.031569 25H 1py 0.122472 0.072841 -0.109750 0.009718 0.107981 0.028526 26O 1s -0.000447 0.001930 -0.001410 -0.001682 -0.000662 0.001445 26O 2s -0.001240 0.003988 -0.004563 -0.004988 -0.001926 0.004171 26O 3s 0.005626 0.015492 0.033117 0.020627 0.004872 -0.009719 26O 4s -0.053979 -0.242643 -0.100106 0.078500 0.046735 -0.088763 26O 5s 0.013109 0.368924 -0.151090 -0.581007 -0.168711 -0.038327 26O 1pz -0.065977 -0.025366 -0.046172 0.052227 0.032359 -0.002469 26O 1px -0.010734 -0.055340 0.020306 0.016099 0.024347 0.052705 26O 1py -0.004413 -0.107011 0.018958 0.085934 0.009481 0.010119 26O 2pz 0.064097 0.059058 0.029879 -0.051767 -0.004843 -0.028677 26O 2px 0.063426 0.149674 0.038480 -0.040638 -0.026848 -0.016434 26O 2py 0.064602 0.134500 0.039571 -0.062618 -0.044759 -0.017096 26O 3pz -0.347299 -0.097326 -0.128382 0.082974 0.037187 0.613464 26O 3px -0.172295 -0.234190 0.035976 0.408898 0.069600 0.358973 26O 3py -0.232553 -0.142641 -0.077018 0.210542 0.159207 0.505909 26O 1dz2 0.001172 -0.009000 0.002897 0.007706 -0.004684 0.003341 26O 1dxz 0.002817 0.000847 0.004444 0.002485 -0.003810 -0.003793 26O 1dyz -0.007083 0.002080 -0.005253 0.001428 0.003397 0.000439 26O 1dx2y2 0.008527 0.002575 0.002322 0.000252 -0.005025 -0.001303 26O 1dxy 0.000676 0.006018 0.000495 -0.000124 -0.001595 -0.003890 26O 2dz2 0.079479 -0.206789 0.117023 0.169067 -0.123731 0.225134 26O 2dxz 0.182700 0.017433 0.084098 -0.032952 -0.100773 -0.111114 26O 2dyz -0.067243 0.087391 -0.106480 -0.068282 0.050671 0.094896 26O 2dx2y2 0.144241 0.071616 0.047541 -0.009045 -0.106087 -0.120538 26O 2dxy 0.065326 0.179980 -0.064848 -0.087459 -0.048491 -0.171760 26O 1f0 -0.001713 -0.000379 0.003634 -0.002294 0.002520 0.004938 26O 1f+1 0.002873 -0.006580 0.000681 0.003687 -0.000382 0.005291 26O 1f-1 0.002751 -0.000390 -0.000151 -0.003538 -0.000303 -0.000119 26O 1f+2 -0.005565 -0.001441 -0.006077 0.003194 0.004415 -0.004248 26O 1f-2 -0.001442 0.008952 -0.006325 -0.004522 0.003163 -0.003752 26O 1f+3 0.001112 -0.003381 -0.003040 0.005250 -0.003108 -0.003783 26O 1f-3 -0.003540 -0.008468 0.002401 0.000422 0.003511 0.004683 27O 1s 0.002086 0.003514 0.000981 -0.001200 -0.001111 -0.001694 27O 2s 0.004663 0.008430 0.003008 -0.003143 -0.002140 -0.004677 27O 3s 0.007973 0.005194 -0.018836 0.009448 -0.004544 0.007891 27O 4s -0.195972 -0.296559 0.055060 0.126647 0.131490 0.136749 27O 5s 0.286518 0.222947 -0.010952 -1.228165 -0.908905 -0.250636 27O 1pz -0.028571 -0.035408 0.048680 0.053214 0.061378 -0.000922 27O 1px -0.060617 -0.095229 0.011131 0.058474 0.082690 -0.028151 27O 1py 0.012014 0.002531 -0.043929 -0.056804 -0.015956 -0.005726 27O 2pz 0.027276 0.041811 -0.055571 -0.056772 -0.016764 0.023801 27O 2px 0.183516 0.222911 -0.062296 -0.011343 -0.066413 -0.007186 27O 2py -0.042687 -0.053199 0.038686 0.034395 0.048374 -0.006061 27O 3pz -0.029152 -0.039586 0.083735 -0.019095 -0.106250 -0.408228 27O 3px -0.326730 -0.056960 0.103239 0.827341 0.586561 -0.224551 27O 3py 0.024333 -0.121512 -0.327841 -0.204693 -0.241231 0.506644 27O 1dz2 -0.004068 -0.004058 0.000193 0.002517 -0.003917 -0.000159 27O 1dxz -0.003136 -0.001129 0.001424 0.002678 -0.002278 0.003056 27O 1dyz -0.000611 -0.001392 -0.004879 -0.004359 0.001878 0.001959 27O 1dx2y2 0.006471 0.005111 -0.002721 -0.002605 -0.011973 0.003058 27O 1dxy 0.002205 -0.001154 0.002542 0.000648 0.003050 -0.002502 27O 2dz2 -0.076205 -0.101848 0.012588 0.124191 -0.030625 -0.064482 27O 2dxz -0.009132 0.012052 0.048334 0.027211 -0.092422 0.047489 27O 2dyz -0.058643 -0.077614 -0.110244 0.003385 0.092500 0.169937 27O 2dx2y2 0.165165 0.183697 -0.010076 -0.155550 -0.353195 0.190482 27O 2dxy 0.029762 -0.024354 0.109115 0.137487 0.176214 -0.089129 27O 1f0 -0.003228 -0.003555 -0.001682 0.001054 0.000352 -0.003335 27O 1f+1 -0.007423 -0.007437 -0.000097 -0.001283 0.003387 -0.003932 27O 1f-1 0.004027 0.004780 0.001567 0.001086 -0.005888 0.000376 27O 1f+2 -0.001336 -0.001777 0.001032 0.004169 0.007900 0.002110 27O 1f-2 -0.006447 -0.007310 0.001923 0.005138 0.001447 0.003260 27O 1f+3 -0.004787 -0.005665 0.003284 0.000557 0.005762 -0.000899 27O 1f-3 0.007965 0.012995 0.005263 0.000001 -0.005334 0.005290 28O 1s 0.001694 -0.003931 0.005679 -0.003826 0.001325 0.002485 28O 2s 0.004549 -0.010626 0.013191 -0.010205 0.002919 0.005918 28O 3s -0.014580 0.026875 0.010647 0.022965 0.014358 0.002446 28O 4s 0.000728 0.129584 -0.457797 0.206340 -0.206107 -0.228127 28O 5s 0.068328 -0.039644 0.521945 -0.976169 -0.268259 0.494453 28O 1pz 0.039743 0.013565 0.048785 0.042059 -0.028881 -0.010079 28O 1px 0.031151 -0.051460 0.099997 -0.033180 0.008714 0.017631 28O 1py 0.001231 0.043295 0.041200 -0.007467 0.023071 0.003794 28O 2pz -0.049295 -0.052894 0.091570 -0.009936 0.114544 0.100201 28O 2px 0.006815 0.094628 -0.210599 0.051360 -0.122084 -0.061701 28O 2py -0.044302 -0.053748 -0.027594 0.013449 0.034794 0.029450 28O 3pz 0.217326 -0.182652 0.313292 0.415623 0.098572 0.019732 28O 3px 0.169205 -0.090047 0.341981 -0.408374 -0.288713 0.139354 28O 3py -0.022378 0.244021 0.148987 -0.174965 0.121631 0.085132 28O 1dz2 -0.002362 -0.006724 0.002955 -0.004864 0.000867 0.002719 28O 1dxz 0.002224 0.000089 -0.002043 0.000613 -0.004022 -0.003819 28O 1dyz 0.008780 -0.002179 0.006813 -0.000321 -0.001187 0.001542 28O 1dx2y2 -0.004057 -0.006138 0.003926 0.000580 0.000955 0.002305 28O 1dxy -0.001319 0.001409 0.000144 -0.002728 -0.000016 -0.000280 28O 2dz2 -0.130019 0.045135 -0.102542 -0.133198 0.134545 0.029091 28O 2dxz 0.051026 0.014590 -0.049862 0.171702 -0.051106 0.024081 28O 2dyz 0.131419 -0.102667 0.181889 -0.005677 -0.071468 0.119328 28O 2dx2y2 0.051504 -0.152375 0.169304 -0.020485 -0.015412 0.020220 28O 2dxy -0.097275 0.132858 0.004886 -0.113143 0.108934 0.055188 28O 1f0 0.002434 0.003467 -0.004068 0.005460 -0.002893 0.000526 28O 1f+1 -0.001718 0.007618 -0.009637 0.002978 -0.002244 -0.001037 28O 1f-1 -0.004223 -0.002691 0.006147 -0.001225 0.004725 0.006969 28O 1f+2 0.005355 -0.001982 0.012170 -0.004406 0.005311 0.000863 28O 1f-2 0.002010 0.006827 -0.001496 0.000150 -0.002018 -0.002244 28O 1f+3 0.001572 0.000341 0.006950 -0.000867 0.001445 0.002067 28O 1f-3 -0.001614 0.000814 0.000597 -0.001353 0.000282 0.002785 29O 1s 0.001026 0.010710 -0.001819 -0.008675 0.000646 0.001085 29O 2s 0.003372 0.032918 -0.005000 -0.028939 0.004476 0.002780 29O 3s -0.023744 -0.162588 0.010473 0.199838 -0.084320 0.001589 29O 4s 0.041471 0.028666 0.061433 -0.348799 0.289194 -0.062738 29O 5s -0.023502 0.475180 -0.114703 0.044771 -0.014952 0.046964 29O 1pz 0.006934 0.005069 -0.008019 -0.002688 0.008333 -0.027215 29O 1px 0.004178 -0.041457 -0.009364 0.018896 -0.030992 -0.009500 29O 1py -0.001315 0.027165 -0.007654 -0.070652 0.010491 0.047088 29O 2pz 0.036650 0.020009 0.079583 0.009868 -0.138387 0.216899 29O 2px 0.034745 0.123998 0.036048 -0.120164 0.054359 0.061363 29O 2py -0.013210 -0.042837 -0.010509 0.154402 -0.094382 -0.044820 29O 3pz -0.046118 0.054812 -0.047535 0.019181 0.025958 -0.060157 29O 3px -0.014044 -0.329250 0.028627 0.101564 0.001562 -0.063609 29O 3py -0.006777 -0.065819 -0.000095 0.076266 -0.043704 0.008146 29O 1dz2 -0.000636 -0.001388 -0.000143 0.002009 -0.000817 0.003290 29O 1dxz -0.001146 -0.002101 -0.001387 0.003261 0.000772 -0.002731 29O 1dyz 0.001496 -0.000258 0.000798 0.000706 -0.004099 0.004029 29O 1dx2y2 0.001437 0.004024 -0.001665 -0.005877 0.001010 -0.000388 29O 1dxy 0.000809 0.002831 0.001714 -0.002897 0.001980 -0.000371 29O 2dz2 -0.061936 -0.027090 -0.003315 0.017297 0.047943 0.012423 29O 2dxz 0.091957 0.046890 0.052506 -0.063009 -0.078742 0.020038 29O 2dyz 0.065361 0.012920 -0.000826 -0.007706 -0.055070 -0.011714 29O 2dx2y2 0.063077 0.095761 -0.024819 -0.028716 -0.051198 0.030403 29O 2dxy 0.019476 0.063363 0.034082 -0.064094 0.013337 -0.000064 29O 1f0 -0.000369 -0.002344 -0.000249 0.009166 -0.011970 0.004993 29O 1f+1 0.001511 0.001576 0.001626 -0.004105 0.002560 0.002178 29O 1f-1 -0.000052 0.000268 0.001894 0.008755 -0.014577 0.010230 29O 1f+2 -0.001973 0.000069 -0.000610 -0.001429 0.006551 -0.005531 29O 1f-2 -0.002721 -0.004156 -0.006666 0.008755 -0.004444 -0.008974 29O 1f+3 0.001080 0.000825 0.003018 0.000378 -0.001292 0.002477 29O 1f-3 0.000256 0.001922 0.001922 -0.004005 -0.000816 0.007815 30O 1s -0.002412 -0.005414 -0.002433 -0.005810 0.001660 -0.001286 30O 2s -0.005512 -0.013787 -0.004785 -0.016039 0.004766 -0.002562 30O 3s -0.003886 0.026939 -0.020364 0.041648 -0.014979 -0.013063 30O 4s 0.125243 0.225341 0.282771 0.276201 -0.007598 0.223139 30O 5s 0.870901 -0.638267 -0.571890 -1.060353 -0.523810 -0.735797 30O 1pz 0.001939 0.073287 0.006980 0.017302 -0.018474 0.019778 30O 1px 0.007218 -0.057449 -0.069220 -0.047979 0.021292 -0.011286 30O 1py 0.028681 0.002982 0.062131 -0.017541 -0.041491 0.011262 30O 2pz -0.116058 -0.096331 -0.019921 -0.003889 0.021124 -0.049111 30O 2px 0.118979 0.090092 0.124451 0.100106 -0.029849 0.023926 30O 2py 0.117393 0.032482 0.015847 0.012985 -0.011564 0.034681 30O 3pz -0.063349 0.329140 -0.064522 -0.033728 0.036075 0.009094 30O 3px 0.292330 -0.269386 -0.379844 -0.490613 -0.225562 -0.284569 30O 3py 0.081795 -0.066070 0.040958 0.040896 -0.518716 0.121989 30O 1dz2 0.004018 0.003868 -0.001559 0.001727 -0.000773 0.000569 30O 1dxz 0.004505 0.006352 -0.001463 -0.002055 -0.002534 0.001150 30O 1dyz 0.003722 0.007913 0.006673 0.002677 -0.001568 0.002617 30O 1dx2y2 -0.002786 0.002731 -0.003132 -0.000167 -0.001738 -0.000550 30O 1dxy -0.002314 -0.002503 -0.000806 0.001791 -0.003866 -0.001058 30O 2dz2 0.007327 -0.010190 -0.017467 0.065077 0.121971 0.071230 30O 2dxz 0.016210 0.238358 0.031794 -0.015046 -0.116583 -0.025431 30O 2dyz 0.025498 0.183422 0.182715 0.116967 0.017243 0.097177 30O 2dx2y2 -0.027797 -0.059565 -0.124820 -0.050542 0.096058 -0.006918 30O 2dxy 0.060998 -0.063187 -0.028628 0.001361 -0.216933 0.090594 30O 1f0 0.007361 0.005981 0.008393 0.003240 -0.002747 0.003424 30O 1f+1 -0.001103 0.001234 0.000454 -0.003281 -0.001016 -0.002771 30O 1f-1 0.003948 0.006223 -0.001459 -0.000980 -0.000648 0.000466 30O 1f+2 0.003095 0.001102 0.000533 -0.001908 -0.002922 0.002487 30O 1f-2 -0.009378 -0.010154 -0.009090 -0.003640 0.001651 -0.000477 30O 1f+3 0.001985 0.003269 0.000887 -0.000859 -0.005313 -0.002341 30O 1f-3 -0.003624 -0.004594 -0.005148 -0.004924 -0.002701 0.003481 31O 1s -0.002431 0.005273 0.002660 -0.004512 -0.004180 -0.001094 31O 2s -0.005612 0.013414 0.005429 -0.012442 -0.011694 -0.002074 31O 3s -0.002844 -0.026308 0.017952 0.032554 0.032988 -0.014069 31O 4s 0.120277 -0.216576 -0.288398 0.234716 0.135136 0.217091 31O 5s 0.890286 0.601851 0.618851 -1.158104 -0.052737 -0.723533 31O 1pz -0.002574 0.073366 0.008248 -0.008928 -0.026018 -0.016669 31O 1px -0.008646 -0.054987 -0.071197 0.033291 0.041887 0.007788 31O 1py -0.027597 0.002099 0.061051 0.035680 -0.030412 -0.008986 31O 2pz 0.118366 -0.097457 -0.019573 -0.003496 0.021890 0.044838 31O 2px -0.118631 0.086869 0.125907 -0.074755 -0.069781 -0.020015 31O 2py -0.117964 0.033973 0.015975 -0.007362 -0.016635 -0.033079 31O 3pz 0.064713 0.331712 -0.055777 0.004073 0.029638 0.000329 31O 3px -0.306630 -0.248265 -0.399777 0.525002 0.035488 0.275718 31O 3py -0.080013 -0.069504 0.031580 0.196345 -0.477309 -0.120649 31O 1dz2 0.004226 -0.003835 0.001569 0.001335 0.001406 0.000479 31O 1dxz 0.004539 -0.006439 0.001514 -0.002797 0.001562 0.000915 31O 1dyz 0.003384 -0.007787 -0.006884 0.001624 0.002867 0.002272 31O 1dx2y2 -0.002839 -0.002756 0.003082 -0.000798 0.001461 -0.000652 31O 1dxy -0.002320 0.002612 0.000808 -0.000126 0.004174 -0.000959 31O 2dz2 0.009131 0.013036 0.015045 0.110798 -0.080151 0.073749 31O 2dxz 0.014825 -0.238747 -0.035066 -0.060478 0.105547 -0.034572 31O 2dyz 0.018497 -0.180278 -0.189319 0.108518 0.044654 0.091854 31O 2dx2y2 -0.025450 0.054067 0.123887 -0.000816 -0.110901 -0.000170 31O 2dxy 0.057662 0.064286 0.032639 -0.096999 0.196215 0.092175 31O 1f0 -0.007217 0.006012 0.008610 -0.001618 -0.004076 -0.003083 31O 1f+1 0.001093 0.001325 0.000356 0.003283 0.000600 0.002679 31O 1f-1 -0.004193 0.006297 -0.001531 0.000918 -0.000150 -0.000444 31O 1f+2 -0.003147 0.001222 0.000435 0.002966 -0.001895 -0.002372 31O 1f-2 0.009385 -0.010006 -0.009179 0.002571 0.003107 0.000015 31O 1f+3 -0.002039 0.003239 0.000897 0.003014 -0.004374 0.002383 31O 1f-3 0.003516 -0.004421 -0.005310 0.005610 -0.000390 -0.003813 32O 1s 0.001282 -0.010751 0.002121 -0.007363 -0.004263 0.001081 32O 2s 0.004337 -0.033031 0.006015 -0.023687 -0.016333 0.002894 32O 3s -0.033482 0.162747 -0.017776 0.143534 0.161030 -0.002011 32O 4s 0.062776 -0.027932 -0.048226 -0.199544 -0.410443 -0.046907 32O 5s -0.006363 -0.472812 0.114283 0.047071 0.038153 0.037016 32O 1pz -0.007926 0.003763 -0.006088 -0.001966 0.004688 0.025193 32O 1px -0.003000 -0.042583 -0.008338 -0.004334 -0.037363 0.010835 32O 1py -0.002088 0.028952 -0.009425 0.060908 0.037065 -0.047066 32O 2pz -0.039854 0.032854 0.069149 0.053608 -0.101879 -0.204932 32O 2px -0.047697 0.128050 0.026849 0.086740 0.108486 -0.060067 32O 2py 0.024273 -0.043586 -0.002809 -0.101617 -0.151302 0.043780 32O 3pz 0.044935 0.048519 -0.045465 -0.027474 0.006453 0.061787 32O 3px 0.028932 -0.331498 0.033354 -0.087368 -0.039945 0.059325 32O 3py 0.006948 -0.067446 0.001160 -0.048611 -0.073142 -0.005693 32O 1dz2 -0.000883 0.001267 0.000212 0.001550 0.001206 0.003002 32O 1dxz -0.001433 0.002230 0.001148 0.003378 0.000838 -0.002590 32O 1dyz 0.001650 -0.000002 -0.000635 -0.001231 0.003688 0.003923 32O 1dx2y2 0.001643 -0.003966 0.001888 -0.004739 -0.003285 -0.000478 32O 1dxy 0.001098 -0.002858 -0.001434 -0.001703 -0.003272 -0.000444 32O 2dz2 -0.069670 0.031164 0.001200 0.034244 -0.031142 0.014830 32O 2dxz 0.099905 -0.056111 -0.049845 -0.090488 0.035971 0.018562 32O 2dyz 0.071741 -0.019512 0.000021 -0.029147 0.042414 -0.012685 32O 2dx2y2 0.077397 -0.096412 0.027630 -0.044212 0.036887 0.024772 32O 2dxy 0.026446 -0.068077 -0.033509 -0.055295 -0.038711 0.001416 32O 1f0 0.001033 -0.002201 -0.000070 -0.003194 -0.013565 -0.003890 32O 1f+1 -0.002049 0.001927 0.001487 0.002966 0.005024 -0.002447 32O 1f-1 0.001101 0.000633 0.001781 -0.002154 -0.016429 -0.009341 32O 1f+2 0.001922 -0.000117 -0.000465 -0.001256 0.006953 0.005097 32O 1f-2 0.003798 -0.004619 -0.005691 -0.006206 -0.008582 0.008985 32O 1f+3 -0.001197 0.000825 0.002641 0.000089 -0.001102 -0.001931 32O 1f-3 -0.000686 0.002291 0.001586 0.004177 0.001171 -0.007772 33O 1s 0.001536 0.003846 -0.005569 -0.003171 -0.002993 0.002634 33O 2s 0.004071 0.010402 -0.012902 -0.008714 -0.007420 0.006319 33O 3s -0.012262 -0.026546 -0.011200 0.028564 -0.002867 0.001219 33O 4s -0.008042 -0.126202 0.452693 0.107771 0.283022 -0.231907 33O 5s 0.148792 0.037454 -0.491755 -1.005806 -0.170106 0.524904 33O 1pz -0.035935 0.013746 0.048697 -0.023324 -0.041225 0.011016 33O 1px -0.032037 -0.049985 0.098227 0.031117 0.023790 -0.020826 33O 1py 0.000766 0.043290 0.042952 -0.002473 0.024983 -0.004483 33O 2pz 0.050110 -0.051259 0.093738 -0.037309 0.106827 -0.102435 33O 2px -0.007368 0.091799 -0.209066 -0.000112 -0.137426 0.065166 33O 2py 0.041738 -0.052727 -0.027170 -0.026747 0.024700 -0.030857 33O 3pz -0.186302 -0.186650 0.316102 -0.400000 -0.064692 0.000717 33O 3px -0.202379 -0.080432 0.326459 0.503452 -0.080822 -0.150466 33O 3py 0.043272 0.244457 0.141194 0.102066 0.194819 -0.081145 33O 1dz2 -0.001995 0.006529 -0.002859 -0.004247 -0.002879 0.002774 33O 1dxz 0.002143 -0.000115 0.002165 -0.001122 0.003614 -0.004110 33O 1dyz 0.008274 0.002160 -0.006738 -0.001121 0.000643 0.001593 33O 1dx2y2 -0.003541 0.006044 -0.003994 0.000673 -0.000535 0.002392 33O 1dxy -0.001516 -0.001499 0.000007 -0.002383 -0.001322 -0.000261 33O 2dz2 -0.118310 -0.044233 0.101403 -0.053945 -0.171994 0.032455 33O 2dxz 0.042689 -0.012966 0.046864 0.132649 0.111500 0.011321 33O 2dyz 0.134918 0.102791 -0.179659 -0.043663 0.060918 0.118156 33O 2dx2y2 0.061172 0.148536 -0.170187 -0.035234 0.003135 0.023165 33O 2dxy -0.104522 -0.135122 -0.001533 -0.050384 -0.151681 0.055479 33O 1f0 -0.002070 0.003289 -0.003911 -0.003812 -0.005076 -0.000198 33O 1f+1 0.001502 0.007378 -0.009540 -0.002097 -0.003453 0.001177 33O 1f-1 0.004116 -0.002582 0.006169 -0.000698 0.004709 -0.007202 33O 1f+2 -0.005113 -0.001798 0.011934 0.001953 0.006943 -0.001222 33O 1f-2 -0.002093 0.006687 -0.001591 0.000552 -0.001951 0.002396 33O 1f+3 -0.001731 0.000377 0.007041 0.000378 0.001795 -0.002156 33O 1f-3 0.001375 0.000756 0.000491 0.001071 0.000717 -0.002755 34O 1s 0.001955 -0.003482 -0.000908 -0.001502 0.000319 -0.001639 34O 2s 0.004309 -0.008326 -0.002808 -0.003604 0.000107 -0.004587 34O 3s 0.008325 -0.005957 0.018069 0.006522 0.009593 0.008920 34O 4s -0.185499 0.302995 -0.059628 0.164791 -0.054502 0.125627 34O 5s 0.275549 -0.260375 0.050523 -1.478678 0.261044 -0.245855 34O 1pz 0.029695 -0.036290 0.050806 -0.072977 0.034346 -0.002049 34O 1px 0.058829 -0.098414 0.012068 -0.086036 0.051182 0.024392 34O 1py -0.014318 0.004737 -0.046461 0.058251 0.009858 0.005539 34O 2pz -0.029059 0.043657 -0.056690 0.055755 0.006538 -0.020601 34O 2px -0.177269 0.226336 -0.062586 0.035376 -0.055821 0.006233 34O 2py 0.042778 -0.056270 0.039874 -0.051860 0.030707 0.004298 34O 3pz 0.031214 -0.039810 0.083130 0.060358 -0.067219 0.403516 34O 3px 0.331003 -0.080642 0.129068 -0.993356 0.179435 0.222410 34O 3py -0.038568 -0.112930 -0.336679 0.293045 -0.152128 -0.508041 34O 1dz2 -0.004131 0.004126 -0.000318 0.000347 0.004690 -0.000247 34O 1dxz -0.003205 0.001217 -0.001596 0.001264 0.003375 0.003034 34O 1dyz -0.000574 0.001115 0.005011 -0.003002 -0.003526 0.001978 34O 1dx2y2 0.006488 -0.005386 0.002825 -0.007528 0.009866 0.002823 34O 1dxy 0.002172 0.001191 -0.002531 0.001836 -0.002481 -0.002577 34O 2dz2 -0.078366 0.106004 -0.017697 0.094118 0.081558 -0.065637 34O 2dxz -0.014714 -0.009525 -0.047188 -0.019390 0.098477 0.043919 34O 2dyz -0.054063 0.076301 0.109468 0.043080 -0.074937 0.170529 34O 2dx2y2 0.160675 -0.191982 0.013580 -0.291376 0.260858 0.180626 34O 2dxy 0.029353 0.028881 -0.115980 0.200777 -0.099931 -0.093443 34O 1f0 0.003012 -0.003642 -0.001777 -0.001094 0.000040 0.003106 34O 1f+1 0.007194 -0.007458 -0.000122 -0.000301 0.003706 0.003866 34O 1f-1 -0.003983 0.004797 0.001646 0.001615 -0.005887 -0.000287 34O 1f+2 0.001241 -0.001989 0.001193 -0.007114 0.005225 -0.002084 34O 1f-2 0.006352 -0.007525 0.002056 -0.004998 -0.000928 -0.003393 34O 1f+3 0.004507 -0.005671 0.003332 -0.002810 0.004925 0.000990 34O 1f-3 -0.007505 0.012971 0.005314 0.002332 -0.005232 -0.005041 35O 1s -0.000729 -0.001899 0.001402 -0.001822 -0.000025 0.001429 35O 2s -0.002079 -0.003923 0.004529 -0.005374 -0.000084 0.004032 35O 3s 0.008480 -0.015819 -0.032774 0.020209 0.002181 -0.007597 35O 4s -0.045162 0.243993 0.096177 0.095185 -0.002134 -0.099610 35O 5s 0.026521 -0.349813 0.182813 -0.560059 -0.087567 -0.036763 35O 1pz 0.068553 -0.027004 -0.042436 -0.062296 0.005259 0.003764 35O 1px 0.012851 -0.054892 0.021676 -0.022363 0.015243 -0.054310 35O 1py 0.006514 -0.106703 0.021564 -0.076960 -0.028141 -0.010068 35O 2pz -0.065367 0.060792 0.026590 0.048264 0.020648 0.027539 35O 2px -0.059230 0.151990 0.037138 0.050046 -0.004002 0.011831 35O 2py -0.063328 0.134920 0.036934 0.074299 -0.011270 0.016338 35O 3pz 0.335949 -0.097481 -0.114092 -0.084864 -0.009325 -0.604871 35O 3px 0.188888 -0.223899 0.059869 -0.376347 -0.111715 -0.352592 35O 3py 0.247201 -0.137355 -0.067281 -0.248142 0.052270 -0.506890 35O 1dz2 0.001341 0.009206 -0.003189 0.004547 0.007537 0.002920 35O 1dxz 0.002863 -0.000808 -0.004426 0.000450 0.004312 -0.003734 35O 1dyz -0.007282 -0.001966 0.005100 0.002870 -0.002242 0.000548 35O 1dx2y2 0.008841 -0.002379 -0.002232 -0.001937 0.004675 -0.001424 35O 1dxy 0.000895 -0.005948 -0.000530 -0.000726 0.001425 -0.003809 35O 2dz2 0.075599 0.207131 -0.124165 0.084854 0.183823 0.218550 35O 2dxz 0.177657 -0.017930 -0.078169 -0.074121 0.075561 -0.106093 35O 2dyz -0.069191 -0.086175 0.108650 -0.035278 -0.071153 0.100551 35O 2dx2y2 0.148901 -0.067841 -0.043146 -0.051735 0.092083 -0.124205 35O 2dxy 0.077447 -0.176358 0.065765 -0.090833 0.008623 -0.171122 35O 1f0 0.001703 -0.000246 0.003593 0.001116 0.003232 -0.005126 35O 1f+1 -0.002689 -0.006555 0.000792 -0.002936 -0.001958 -0.004995 35O 1f-1 -0.002768 -0.000246 -0.000316 0.003222 0.001495 0.000158 35O 1f+2 0.005870 -0.001534 -0.005867 -0.004970 0.002455 0.004247 35O 1f-2 0.001471 0.008832 -0.006551 0.002160 0.004807 0.003731 35O 1f+3 -0.000852 -0.003491 -0.003042 -0.003414 -0.004984 0.004079 35O 1f-3 0.003532 -0.008429 0.002406 -0.001753 0.002967 -0.004521 408 409 410 411 412 413 2.23592 2.23979 2.24560 2.24895 2.25999 2.26204 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s -0.002120 0.000486 0.000182 0.002221 -0.001475 -0.003618 0Rh 2s 0.012873 -0.002834 -0.004640 -0.006206 0.011036 0.024750 0Rh 3s -0.004631 0.001132 -0.001758 0.009306 -0.001949 -0.006228 0Rh 4s -0.064981 0.014338 0.023868 0.030803 -0.055689 -0.126009 0Rh 5s 0.104967 -0.023029 -0.059129 -0.012172 0.097503 0.227885 0Rh 6s -0.002334 0.001180 0.096329 -0.167943 -0.025879 -0.129111 0Rh 7s -0.317912 0.056641 -0.432998 0.949340 -0.045277 0.663783 0Rh 8s -0.733579 0.126697 0.377425 -0.173703 -0.805435 -0.506300 0Rh 1pz 0.002332 -0.000729 -0.000814 0.003466 -0.001346 -0.004365 0Rh 1px -0.001196 0.001444 -0.002571 0.007060 0.013886 0.008737 0Rh 1py -0.000316 0.000871 0.003296 0.001211 0.001737 0.004434 0Rh 2pz -0.008093 0.002627 0.002843 -0.012390 0.005378 0.015204 0Rh 2px 0.005175 -0.005420 0.008978 -0.024575 -0.050014 -0.030202 0Rh 2py 0.001327 -0.003016 -0.012011 -0.004267 -0.006358 -0.015106 0Rh 3pz 0.002974 -0.002921 -0.001271 0.011490 -0.016844 -0.006255 0Rh 3px -0.023561 0.010083 -0.004303 0.009847 0.054523 0.007722 0Rh 3py -0.005267 0.000740 0.016000 0.002868 0.009231 -0.000996 0Rh 4pz 0.041638 -0.005780 -0.015266 0.037287 0.032134 -0.077443 0Rh 4px 0.061626 -0.003410 -0.041570 0.128157 0.122599 0.170181 0Rh 4py 0.012885 0.017849 0.015342 0.017571 0.005228 0.105870 0Rh 5pz -0.069448 0.009164 0.035941 -0.048773 -0.054906 0.135661 0Rh 5px -0.121066 0.006523 0.060709 -0.244863 -0.248476 -0.283736 0Rh 5py -0.025622 -0.033744 -0.008661 -0.034212 -0.016526 -0.185550 0Rh 6pz -0.504119 0.118191 -0.089698 -1.369321 0.138536 0.003541 0Rh 6px 0.608379 -0.098638 0.190765 0.149078 0.371825 -0.042433 0Rh 6py 0.126829 0.068919 -1.162806 -0.006282 0.886804 -0.046073 0Rh 1dz2 0.002135 -0.001072 -0.001959 -0.017189 0.005978 0.007778 0Rh 1dxz 0.001561 -0.001973 0.004459 0.030695 0.011895 0.016373 0Rh 1dyz -0.000098 0.005253 -0.000610 0.009289 -0.005686 0.002407 0Rh 1dx2y2 -0.000330 -0.001143 -0.003309 0.009557 -0.007967 -0.015178 0Rh 1dxy 0.003584 0.001445 0.036577 -0.000644 0.008530 0.002390 0Rh 2dz2 0.000733 -0.000788 0.000223 -0.000167 -0.002209 -0.001318 0Rh 2dxz -0.001018 0.000116 0.001178 -0.003657 -0.003562 -0.001223 0Rh 2dyz -0.000260 -0.001963 -0.001295 -0.001584 -0.000709 -0.002199 0Rh 2dx2y2 -0.000501 0.000450 -0.000718 0.001202 0.004715 0.002310 0Rh 2dxy -0.000262 -0.000660 -0.003832 0.000445 0.002380 -0.001656 0Rh 3dz2 -0.008941 0.006421 0.004317 0.046901 -0.005828 -0.015090 0Rh 3dxz 0.000242 0.004831 -0.017148 -0.065694 -0.015597 -0.038744 0Rh 3dyz 0.001450 -0.005357 0.007377 -0.017689 0.018386 0.003422 0Rh 3dx2y2 0.003193 0.000996 0.012059 -0.031215 -0.000365 0.030964 0Rh 3dxy -0.008440 -0.000931 -0.080772 -0.000476 -0.033532 0.001032 0Rh 4dz2 0.010003 -0.011196 0.003388 -0.002375 -0.038748 -0.018518 0Rh 4dxz -0.014151 0.000979 0.015741 -0.061188 -0.061594 -0.016557 0Rh 4dyz -0.004062 -0.026252 -0.018173 -0.026032 -0.009572 -0.033489 0Rh 4dx2y2 -0.008172 0.008016 -0.011195 0.021157 0.081174 0.027107 0Rh 4dxy -0.003525 -0.008597 -0.060345 0.008768 0.034073 -0.025500 0Rh 5dz2 -0.022039 -0.002478 -0.043149 -0.066226 0.219825 0.126809 0Rh 5dxz 0.086131 -0.010196 -0.046877 0.386492 0.356544 0.168644 0Rh 5dyz 0.012723 -0.000984 0.023448 0.141175 0.013258 0.133872 0Rh 5dx2y2 0.007406 -0.051082 0.051664 -0.054905 -0.441258 -0.195402 0Rh 5dxy 0.007698 -0.008124 0.370442 -0.044441 -0.079646 0.074149 0Rh 1f0 0.017707 -0.137450 0.014870 0.205673 -0.108841 -0.100275 0Rh 1f+1 -0.011400 0.160190 0.005742 0.069710 0.003716 0.086596 0Rh 1f-1 0.053216 -0.184120 -0.040509 -0.080271 0.029016 -0.029044 0Rh 1f+2 -0.037520 -0.073933 -0.082238 -0.069390 0.183731 0.089611 0Rh 1f-2 0.031826 0.328433 -0.091147 -0.094262 0.020420 -0.060392 0Rh 1f+3 0.033328 -0.029867 -0.065053 -0.115435 0.159584 0.169235 0Rh 1f-3 -0.202505 -0.158973 0.233903 -0.040232 0.041969 0.089260 1Rh 1s 0.002149 -0.000516 0.000134 0.002157 0.000467 -0.003896 1Rh 2s -0.013064 0.003024 -0.004476 -0.005721 -0.003306 0.026802 1Rh 3s 0.004690 -0.001194 -0.001940 0.009222 0.000728 -0.006612 1Rh 4s 0.065954 -0.015301 0.023024 0.028362 0.016291 -0.136307 1Rh 5s -0.106647 0.024673 -0.058053 -0.007958 -0.022525 0.245016 1Rh 6s 0.002869 -0.001690 0.096706 -0.168654 -0.030997 -0.128079 1Rh 7s 0.322917 -0.056390 -0.438679 0.943053 0.338551 0.606770 1Rh 8s 0.754147 -0.131989 0.395857 -0.236329 0.589308 -0.719034 1Rh 1pz 0.002426 -0.000692 0.000636 -0.003322 -0.000154 0.004364 1Rh 1px -0.001401 0.001482 0.003400 -0.007515 0.009952 -0.012426 1Rh 1py -0.000370 0.000817 -0.002993 -0.001124 0.000338 -0.004444 1Rh 2pz -0.008424 0.002498 -0.002175 0.011874 0.001200 -0.015364 1Rh 2px 0.005893 -0.005555 -0.012034 0.026221 -0.036308 0.043546 1Rh 2py 0.001522 -0.002829 0.010960 0.003967 -0.001588 0.015289 1Rh 3pz 0.003149 -0.002806 -0.000080 -0.010997 -0.014544 0.009749 1Rh 3px -0.023940 0.010191 0.009042 -0.011782 0.048778 -0.023381 1Rh 3py -0.005469 0.000615 -0.015708 -0.002788 0.009485 -0.002320 1Rh 4pz 0.043187 -0.005393 0.016304 -0.035680 0.050903 0.064412 1Rh 4px 0.058179 -0.002885 0.043340 -0.131662 0.053708 -0.198680 1Rh 4py 0.012442 0.017075 -0.009231 -0.015882 -0.028020 -0.093259 1Rh 5pz -0.072716 0.008598 -0.037974 0.045290 -0.088264 -0.113490 1Rh 5px -0.113704 0.005186 -0.065661 0.252544 -0.129473 0.344089 1Rh 5py -0.025468 -0.032280 -0.003660 0.031510 0.043239 0.163715 1Rh 6pz -0.484768 0.114688 0.128086 1.366245 0.214142 -0.074449 1Rh 6px 0.597403 -0.096117 -0.183486 -0.175214 0.363646 -0.075125 1Rh 6py 0.146551 0.071239 1.212804 -0.028250 0.800520 -0.178927 1Rh 1dz2 -0.002071 0.001143 -0.001815 -0.016859 -0.003757 0.009017 1Rh 1dxz -0.001212 0.001920 0.004595 0.031222 -0.005638 0.019126 1Rh 1dyz 0.000618 -0.005479 -0.000429 0.008887 0.006409 0.000562 1Rh 1dx2y2 0.000241 0.001007 -0.002360 0.009219 0.003238 -0.016789 1Rh 1dxy -0.002448 -0.001623 0.036589 -0.000068 -0.009369 0.005306 1Rh 2dz2 -0.000659 0.000754 0.000355 -0.000299 0.001709 -0.001905 1Rh 2dxz 0.001032 -0.000126 0.001384 -0.003812 0.002756 -0.002073 1Rh 2dyz 0.000366 0.001923 -0.001311 -0.001594 0.000070 -0.002325 1Rh 2dx2y2 0.000493 -0.000445 -0.001177 0.001440 -0.003680 0.003523 1Rh 2dxy 0.000221 0.000641 -0.003947 0.000583 -0.002518 -0.000855 1Rh 3dz2 0.008439 -0.006456 0.003315 0.046620 0.002098 -0.015702 1Rh 3dxz -0.001227 -0.004650 -0.018470 -0.066396 0.002355 -0.042193 1Rh 3dyz -0.003324 0.006143 0.006978 -0.016569 -0.017454 0.008923 1Rh 3dx2y2 -0.002932 -0.000651 0.011617 -0.031403 0.008532 0.029657 1Rh 3dxy 0.005582 0.001494 -0.080267 -0.002635 0.036404 -0.010364 1Rh 4dz2 -0.008869 0.010670 0.005720 -0.004583 0.031191 -0.028758 1Rh 4dxz 0.014212 -0.001045 0.019378 -0.063953 0.049544 -0.032045 1Rh 4dyz 0.005790 0.025627 -0.018677 -0.026132 -0.000201 -0.034980 1Rh 4dx2y2 0.008206 -0.007983 -0.018896 0.025253 -0.066951 0.048484 1Rh 4dxy 0.002906 0.008307 -0.062414 0.010754 -0.036152 -0.014172 1Rh 5dz2 0.016691 0.005168 -0.054106 -0.054738 -0.170791 0.181225 1Rh 5dxz -0.084852 0.010109 -0.063094 0.402923 -0.268387 0.260460 1Rh 5dyz -0.019585 0.002963 0.029476 0.140036 0.028076 0.130070 1Rh 5dx2y2 -0.007841 0.050136 0.090109 -0.076626 0.350907 -0.309475 1Rh 5dxy -0.001695 0.008486 0.380074 -0.049057 0.074606 0.049895 1Rh 1f0 0.015798 -0.136427 -0.019954 -0.201138 -0.081604 0.126733 1Rh 1f+1 -0.010262 0.158454 0.004563 -0.068520 -0.020715 -0.088097 1Rh 1f-1 0.057036 -0.183975 0.037707 0.077484 0.044099 0.019391 1Rh 1f+2 -0.031841 -0.076175 0.094737 0.063049 0.145590 -0.138842 1Rh 1f-2 0.037895 0.327346 0.093290 0.094380 0.035343 0.049737 1Rh 1f+3 0.039114 -0.031538 0.073678 0.107665 0.109982 -0.209373 1Rh 1f-3 -0.210351 -0.157943 -0.225881 0.040658 0.027698 -0.099029 2C 1s -0.002034 0.002040 -0.002459 0.000836 0.001092 0.004483 2C 2s 0.004006 0.000831 0.000382 -0.008528 -0.001423 0.010823 2C 3s 0.000758 0.001073 -0.079399 0.135673 0.036893 -0.089893 2C 4s -0.048485 -0.107627 0.637552 -0.417300 -0.200823 -0.085173 2C 5s -2.371339 1.187806 -3.527373 1.820814 1.747179 -0.204788 2C 1pz 0.118583 -0.049587 0.050830 -0.050976 -0.011060 -0.054874 2C 1px -0.102132 -0.015800 0.006077 -0.071244 0.005065 0.017116 2C 1py 0.052011 -0.038065 0.068528 0.015996 -0.082336 -0.071826 2C 2pz -0.009939 -0.145266 0.447151 -0.265017 -0.125033 -0.270241 2C 2px 0.364828 0.093379 -0.141460 -0.164701 -0.165983 -0.037877 2C 2py 0.012858 -0.014378 0.148266 -0.310878 0.085643 -0.136124 2C 3pz -0.473124 0.273888 -0.768250 0.293182 0.368469 -0.038129 2C 3px -0.200234 -0.024124 -0.260979 0.138253 0.001995 0.195482 2C 3py -0.391966 0.159389 -0.472718 0.301479 0.181011 -0.084642 2C 1dz2 -0.008409 -0.021464 0.010093 0.029591 -0.010918 0.013810 2C 1dxz -0.012121 0.050547 0.006955 0.008057 -0.010127 0.026256 2C 1dyz -0.019294 0.009628 -0.012713 0.014285 0.013791 0.017058 2C 1dx2y2 0.022424 -0.003644 -0.015744 -0.016335 -0.011778 -0.017755 2C 1dxy -0.017447 0.041317 -0.002021 0.000552 0.029539 0.009810 2C 2dz2 -0.049321 0.020820 0.146139 -0.048311 0.014690 -0.094977 2C 2dxz 0.219494 -0.192629 -0.036841 0.014845 -0.027637 -0.164982 2C 2dyz -0.057238 0.049328 0.074946 -0.219772 -0.037510 -0.072757 2C 2dx2y2 -0.088714 0.136027 -0.067455 -0.049707 -0.000283 0.058523 2C 2dxy 0.160387 -0.127268 -0.063163 -0.085138 -0.074683 -0.030785 2C 1f0 -0.004549 0.005177 -0.047565 0.002308 -0.034762 0.007547 2C 1f+1 0.016904 0.008191 -0.007703 -0.048409 0.001324 0.016790 2C 1f-1 0.003828 -0.026109 0.066427 0.020234 -0.000363 -0.015338 2C 1f+2 0.047765 -0.031475 0.078386 -0.014182 -0.013167 -0.020346 2C 1f-2 -0.072123 0.052497 -0.049251 0.076685 0.020787 0.021955 2C 1f+3 0.095388 -0.042285 0.086081 -0.085456 -0.057214 -0.037772 2C 1f-3 0.027912 -0.010647 -0.022053 -0.066721 -0.016760 0.004839 3C 1s -0.003597 -0.000057 -0.001223 0.000623 0.003949 0.004750 3C 2s 0.003381 -0.002299 -0.000564 -0.010804 0.004970 0.014779 3C 3s -0.063483 0.018849 0.009724 0.159944 -0.003722 -0.116092 3C 4s 0.449427 -0.057341 -0.091026 -0.560556 -0.365965 -0.119228 3C 5s -3.497813 0.601229 1.495120 2.647504 0.957991 0.162979 3C 1pz 0.182580 -0.043114 -0.012012 0.027803 -0.012726 -0.116166 3C 1px -0.034052 0.047167 -0.044594 -0.049761 -0.039875 -0.000792 3C 1py -0.086906 0.013675 -0.040643 0.081037 0.096933 0.005465 3C 2pz -0.062835 0.084723 -0.012849 -0.278436 -0.282951 -0.008390 3C 2px 0.256685 -0.261852 0.318456 -0.233746 -0.177069 -0.104031 3C 2py -0.394028 0.008444 -0.031168 0.326761 0.284237 0.265812 3C 3pz -0.314856 0.013887 0.175328 0.299664 0.011567 -0.148550 3C 3px -0.367794 0.168810 -0.032820 0.265183 0.123124 0.096631 3C 3py 0.743190 -0.105829 -0.416064 -0.531114 -0.218826 -0.155711 3C 1dz2 0.023705 0.011001 0.014345 -0.007650 -0.010739 0.022131 3C 1dxz -0.038044 -0.015744 -0.032659 0.008265 0.023508 -0.019586 3C 1dyz 0.013860 -0.020786 0.008427 -0.011164 -0.002260 -0.032717 3C 1dx2y2 -0.006793 -0.025403 0.024101 -0.028523 -0.024457 -0.017961 3C 1dxy 0.031519 0.037314 0.006705 -0.008170 -0.027159 0.020486 3C 2dz2 -0.107619 -0.014147 -0.077669 0.049235 0.082274 -0.014278 3C 2dxz 0.247773 0.103214 0.119824 0.015257 -0.118303 0.084053 3C 2dyz 0.115607 0.046221 -0.024191 0.183685 0.076799 0.072300 3C 2dx2y2 -0.093626 0.027700 0.064510 0.036781 0.052537 0.175158 3C 2dxy -0.220044 0.006404 -0.152628 0.103869 0.184939 0.020585 3C 1f0 -0.113437 0.015207 0.015162 0.056395 0.049491 0.045156 3C 1f+1 -0.023918 -0.001686 0.040030 -0.015422 0.002175 0.039179 3C 1f-1 -0.078391 0.001391 -0.007214 0.069187 0.045133 -0.010139 3C 1f+2 0.099322 -0.032587 0.037092 -0.116604 -0.056523 0.002961 3C 1f-2 0.063794 0.010743 -0.018824 -0.032680 -0.033797 -0.014515 3C 1f+3 0.010444 -0.001041 -0.014577 -0.029150 -0.012378 -0.004912 3C 1f-3 -0.047082 0.002383 -0.044173 0.066255 0.037206 -0.039378 4C 1s 0.000740 0.003229 -0.014891 0.009631 0.001183 0.003125 4C 2s 0.006455 0.008731 -0.049915 0.030992 0.003388 0.009126 4C 3s -0.128362 -0.053854 0.367491 -0.415673 -0.209025 0.045017 4C 4s 0.093220 0.188634 -0.436273 1.198007 1.299082 -0.453979 4C 5s 1.246439 -0.658207 1.918918 -0.832906 -0.036176 0.013280 4C 1pz -0.230815 -0.015302 -0.046403 0.117085 0.029552 0.058866 4C 1px 0.188936 0.306855 -0.149312 -0.141281 0.093419 -0.027774 4C 1py -0.105715 0.111883 -0.093087 -0.007672 0.107076 0.034886 4C 2pz 0.454119 0.054321 0.677437 -0.244555 0.168119 -0.324990 4C 2px -0.168804 -0.936808 -0.197452 -0.197125 -0.296507 -0.028005 4C 2py 0.252465 -0.322148 0.350977 -0.147611 -0.149496 -0.242831 4C 3pz -1.162736 0.436720 -1.885518 1.122645 0.962227 0.105097 4C 3px 0.099652 0.448762 -0.602872 -0.502393 0.320534 -0.076617 4C 3py -0.723860 0.451695 -1.398766 0.416829 0.868700 0.134307 4C 1dz2 -0.029343 0.040658 -0.018078 0.000729 0.013244 0.010419 4C 1dxz -0.061875 -0.029445 0.050636 0.059422 0.000582 -0.001348 4C 1dyz -0.022625 0.018742 -0.019847 0.037335 0.003977 0.027365 4C 1dx2y2 0.023558 -0.010326 -0.030388 -0.001134 -0.011304 -0.011932 4C 1dxy -0.019355 -0.033359 0.010807 0.036366 0.010643 0.005255 4C 2dz2 -0.123838 0.291187 -0.096421 0.118018 0.036237 0.293127 4C 2dxz 0.259301 -0.345554 -0.416947 -0.073965 -0.260498 0.209058 4C 2dyz 0.039736 0.050872 -0.321451 0.113081 0.102981 0.302260 4C 2dx2y2 0.176571 -0.159219 0.236546 0.078792 0.080520 -0.388144 4C 2dxy 0.142200 -0.254927 -0.116448 0.116758 -0.014772 -0.132728 4C 1f0 0.003298 -0.032097 0.003064 0.014233 -0.024957 0.002329 4C 1f+1 0.013040 0.037015 -0.038639 -0.026984 -0.017683 0.003481 4C 1f-1 -0.050434 -0.013198 -0.016606 0.010786 0.002099 0.019382 4C 1f+2 -0.004965 -0.010940 0.048478 0.039493 -0.013086 -0.005702 4C 1f-2 0.008435 0.073797 -0.045990 -0.040013 0.002364 0.004714 4C 1f+3 -0.020406 0.013294 0.011496 0.001549 0.014832 0.009799 4C 1f-3 -0.007270 -0.029925 0.003182 0.010458 -0.003477 0.007220 5C 1s -0.004582 -0.000420 0.004223 0.016321 0.013525 0.002146 5C 2s -0.011131 -0.001870 0.014713 0.052561 0.042150 0.007249 5C 3s 0.090777 0.018172 0.013089 -0.476037 -0.273831 0.109256 5C 4s -0.653013 0.034762 -0.699159 0.736062 0.116165 -0.735508 5C 5s 1.970436 -0.372679 -1.103964 -1.802271 -1.357052 -0.008393 5C 1pz -0.186495 0.125656 -0.079563 0.049185 -0.029960 0.053274 5C 1px -0.021579 -0.309507 0.234773 -0.069016 0.156666 0.016340 5C 1py 0.254239 -0.102466 0.068376 -0.091921 -0.032368 -0.034440 5C 2pz 0.455757 -0.318331 -0.112320 -0.179780 -0.065386 -0.324510 5C 2px 0.222323 0.773306 -0.069338 -0.366984 -0.748132 -0.018772 5C 2py -0.675914 0.256317 0.126333 0.482579 0.354230 0.375045 5C 3pz -1.043114 0.299546 0.346382 0.774121 0.216905 0.385062 5C 3px -0.458592 -0.358941 0.873622 -0.056312 0.168091 0.184804 5C 3py 1.472644 -0.305960 -0.707816 -1.206242 -0.240599 -0.420279 5C 1dz2 -0.018509 -0.011473 0.005872 -0.032721 -0.012209 -0.013743 5C 1dxz -0.036971 0.035600 -0.038908 0.019825 0.004764 -0.004968 5C 1dyz 0.036320 0.014479 -0.008616 -0.028651 -0.030500 -0.019268 5C 1dx2y2 0.023728 0.026419 0.001944 0.002243 -0.015138 0.009361 5C 1dxy 0.021110 -0.046549 0.067841 -0.043644 -0.019219 0.005287 5C 2dz2 -0.206451 -0.035932 0.105613 -0.052579 0.107174 0.204677 5C 2dxz -0.134450 0.100012 0.007055 0.021131 0.204571 0.298268 5C 2dyz 0.283148 0.077281 0.119750 -0.161326 -0.288902 -0.164341 5C 2dx2y2 0.289237 0.120920 0.025799 -0.187201 -0.610445 -0.364648 5C 2dxy -0.180361 -0.228085 -0.286541 -0.068268 0.023451 -0.429085 5C 1f0 0.042938 -0.022093 0.017253 -0.008741 -0.007933 -0.000761 5C 1f+1 0.003255 0.019726 -0.002199 0.012827 -0.006228 0.015916 5C 1f-1 0.003517 -0.033853 0.009999 0.004643 0.012364 -0.018269 5C 1f+2 0.027664 -0.036111 -0.005475 -0.011847 -0.004145 -0.031926 5C 1f-2 0.024113 0.057910 -0.073770 0.031424 -0.012177 -0.033696 5C 1f+3 -0.023117 -0.016795 0.017730 0.001320 0.022176 0.007822 5C 1f-3 -0.025940 -0.041996 -0.004491 -0.023273 -0.000139 -0.024054 6C 1s 0.005821 0.000039 0.003958 0.016566 -0.011467 0.006366 6C 2s 0.015194 0.000621 0.014157 0.053349 -0.035521 0.020423 6C 3s -0.120652 -0.007636 0.011669 -0.480444 0.258292 0.005244 6C 4s 0.665656 -0.045888 -0.702245 0.728183 -0.227928 -0.597832 6C 5s -2.138449 0.431632 -0.949172 -1.833650 1.281158 -0.396240 6C 1pz -0.186192 0.126290 0.085755 -0.044590 -0.046711 -0.042465 6C 1px -0.027644 -0.309632 -0.219693 0.056638 0.154875 -0.060562 6C 1py 0.256030 -0.103610 -0.082276 0.089048 -0.016415 0.041023 6C 2pz 0.478422 -0.324668 0.094442 0.174872 0.025426 0.326364 6C 2px 0.238478 0.770299 0.014309 0.397423 -0.676798 0.221540 6C 2py -0.713777 0.266858 -0.082076 -0.482680 0.221014 -0.448448 6C 3pz -1.108465 0.321238 -0.292263 -0.764625 0.073015 -0.463350 6C 3px -0.493465 -0.350903 -0.841465 0.043846 0.163203 -0.245878 6C 3py 1.579788 -0.342222 0.636803 1.192653 -0.084818 0.523320 6C 1dz2 0.017571 0.012030 0.004981 -0.032489 0.005407 -0.017099 6C 1dxz 0.036211 -0.035544 -0.042445 0.019063 -0.003197 -0.003377 6C 1dyz -0.037014 -0.014460 -0.005578 -0.029701 0.021975 -0.028055 6C 1dx2y2 -0.023043 -0.026567 0.004877 0.001332 0.016901 0.004554 6C 1dxy -0.020222 0.046734 0.068920 -0.043576 0.013579 -0.000427 6C 2dz2 0.209434 0.037869 0.084661 -0.052432 -0.052616 0.217973 6C 2dxz 0.136968 -0.100810 0.002728 0.022554 -0.110436 0.342497 6C 2dyz -0.285992 -0.076636 0.137454 -0.164993 0.209330 -0.245043 6C 2dx2y2 -0.301332 -0.119613 0.053219 -0.199250 0.466293 -0.521690 6C 2dxy 0.155126 0.230767 -0.302043 -0.065561 -0.141478 -0.409223 6C 1f0 0.042895 -0.022295 -0.019866 0.008495 -0.006645 0.002613 6C 1f+1 0.003005 0.019799 0.000984 -0.012327 -0.010982 -0.013350 6C 1f-1 0.003243 -0.033989 -0.009933 -0.004996 0.016431 0.013606 6C 1f+2 0.028942 -0.036400 0.004148 0.011453 0.004598 0.031840 6C 1f-2 0.026409 0.057640 0.071921 -0.030135 -0.007564 0.035674 6C 1f+3 -0.023889 -0.016595 -0.015819 -0.001555 0.019901 -0.013672 6C 1f-3 -0.024532 -0.042379 0.006573 0.022661 0.007202 0.023212 7C 1s -0.001861 -0.002870 -0.015518 0.009278 0.001260 0.002091 7C 2s -0.010188 -0.007532 -0.051722 0.029887 0.004309 0.005662 7C 3s 0.163153 0.043245 0.390997 -0.415216 0.168805 0.015797 7C 4s -0.176394 -0.167874 -0.535386 1.243179 -1.301979 -0.102351 7C 5s -1.048324 0.597459 2.021279 -0.813899 -0.116061 0.111948 7C 1pz -0.219216 -0.017752 0.057553 -0.116661 0.006891 -0.060688 7C 1px 0.191884 0.305847 0.150762 0.134316 0.090521 0.000621 7C 1py -0.097479 0.109323 0.103087 0.001886 0.086986 -0.062569 7C 2pz 0.393956 0.070149 -0.688055 0.232952 0.300611 0.217233 7C 2px -0.156281 -0.933636 0.167204 0.207287 -0.255825 0.097074 7C 2py 0.221937 -0.310187 -0.374615 0.154071 -0.037430 0.245548 7C 3pz -0.990957 0.390738 2.019696 -1.140973 0.720448 -0.318127 7C 3px 0.134896 0.442593 0.622789 0.482423 0.329822 -0.032438 7C 3py -0.605447 0.420040 1.498590 -0.447359 0.694820 -0.339445 7C 1dz2 0.029099 -0.040475 -0.020552 0.000365 -0.008225 0.014088 7C 1dxz 0.063228 0.029091 0.047346 0.058687 -0.001311 -0.001218 7C 1dyz 0.021682 -0.018753 -0.021858 0.036562 0.007232 0.026044 7C 1dx2y2 -0.024788 0.010751 -0.030131 -0.002018 0.008964 -0.016231 7C 1dxy 0.019676 0.033562 0.009747 0.036443 -0.006349 0.006715 7C 2dz2 0.112104 -0.286170 -0.122181 0.107441 0.063837 0.269629 7C 2dxz -0.271771 0.346855 -0.381602 -0.085220 0.330842 0.101654 7C 2dyz -0.061722 -0.043771 -0.327002 0.114834 0.015427 0.289075 7C 2dx2y2 -0.155346 0.149597 0.248290 0.089092 -0.202706 -0.323008 7C 2dxy -0.155044 0.259212 -0.111611 0.115871 -0.010801 -0.130923 7C 1f0 0.003432 -0.031628 -0.004142 -0.012646 -0.023830 0.006619 7C 1f+1 0.013801 0.036807 0.038194 0.028071 -0.019569 0.003217 7C 1f-1 -0.047363 -0.014052 0.018767 -0.010837 -0.004402 -0.017888 7C 1f+2 -0.007428 -0.010139 -0.049053 -0.038530 -0.010307 0.008990 7C 1f-2 0.011145 0.073199 0.046362 0.040387 -0.000823 -0.005097 7C 1f+3 -0.021002 0.013300 -0.009303 -0.001975 0.011045 -0.013453 7C 1f-3 -0.007035 -0.030154 -0.002993 -0.009715 -0.006071 -0.005522 8C 1s 0.003533 0.000117 -0.001428 0.000645 -0.002211 0.005856 8C 2s -0.004087 0.002697 -0.000194 -0.010857 -0.000717 0.016037 8C 3s 0.074812 -0.023657 0.005089 0.160949 -0.023839 -0.116064 8C 4s -0.495241 0.071394 -0.065589 -0.565834 0.291423 -0.216457 8C 5s 3.730477 -0.684481 1.281862 2.649229 -0.837679 0.489084 8C 1pz 0.182106 -0.042411 0.003266 -0.029835 0.017334 0.115526 8C 1px -0.031180 0.046672 0.040825 0.053511 -0.033827 0.012110 8C 1py -0.089150 0.014652 0.045205 -0.081387 0.084642 -0.036308 8C 2pz -0.046231 0.080345 0.009282 0.287918 -0.247557 0.090457 8C 2px 0.259328 -0.264118 -0.327736 0.230393 -0.116726 0.151440 8C 2py -0.414048 0.013903 0.056773 -0.331333 0.171959 -0.334150 8C 3pz -0.339004 0.024062 -0.152998 -0.300018 0.054306 0.132458 8C 3px -0.385770 0.176492 0.047365 -0.261367 0.078075 -0.138220 8C 3py 0.794887 -0.122893 0.369852 0.533030 -0.162800 0.223389 8C 1dz2 -0.022873 -0.011135 0.015733 -0.007610 0.014954 0.017306 8C 1dxz 0.036316 0.015841 -0.036420 0.008763 -0.025787 -0.012704 8C 1dyz -0.013995 0.020821 0.008825 -0.010997 -0.008125 -0.032576 8C 1dx2y2 0.006447 0.025340 0.024109 -0.028566 0.014706 -0.024520 8C 1dxy -0.030712 -0.037517 0.010059 -0.009234 0.030316 0.012074 8C 2dz2 0.103704 0.012379 -0.084009 0.050857 -0.073525 0.009510 8C 2dxz -0.238924 -0.103532 0.133903 0.013795 0.136936 0.047902 8C 2dyz -0.106646 -0.050159 -0.018416 0.187647 -0.036964 0.094908 8C 2dx2y2 0.099863 -0.026166 0.058978 0.035281 0.002208 0.181616 8C 2dxy 0.219978 -0.005355 -0.170430 0.105534 -0.157629 0.071297 8C 1f0 -0.118498 0.016417 -0.008156 -0.057344 0.033102 -0.058414 8C 1f+1 -0.022357 -0.002046 -0.039809 0.017724 -0.006481 -0.037747 8C 1f-1 -0.080925 0.002543 0.012374 -0.069408 0.041687 -0.003469 8C 1f+2 0.102918 -0.034449 -0.044428 0.116834 -0.046310 0.013673 8C 1f-2 0.068437 0.009392 0.013468 0.035933 -0.029057 0.024172 8C 1f+3 0.014478 -0.002319 0.014268 0.030470 -0.010294 0.009051 8C 1f-3 -0.046811 0.003232 0.048805 -0.066168 0.040223 0.027309 9C 1s 0.001959 -0.002045 -0.002652 0.000743 0.000450 0.004425 9C 2s -0.003341 -0.001087 0.000700 -0.008842 0.004117 0.009891 9C 3s -0.014360 0.003611 -0.083462 0.139711 -0.049998 -0.083083 9C 4s 0.117269 0.084876 0.661038 -0.426513 0.108123 -0.077469 9C 5s 2.017768 -1.088501 -3.797902 1.870101 -1.442751 0.171966 9C 1pz 0.113889 -0.049170 -0.062112 0.046498 0.008541 0.053015 9C 1px -0.098653 -0.016603 -0.001279 0.071299 0.008809 -0.019707 9C 1py 0.047193 -0.035877 -0.071962 -0.011012 -0.053158 0.088543 9C 2pz -0.048888 -0.130257 -0.453665 0.267801 0.007222 0.256040 9C 2px 0.355002 0.096697 0.112998 0.169805 -0.161935 0.080899 9C 2py -0.002394 -0.012413 -0.157294 0.303135 0.139623 0.080178 9C 3pz -0.399445 0.253375 0.814926 -0.305388 0.308397 -0.042880 9C 3px -0.172462 -0.033093 0.274148 -0.129628 -0.080112 -0.168729 9C 3py -0.343597 0.147215 0.519879 -0.303629 0.155227 0.036693 9C 1dz2 0.008807 0.020940 0.010014 0.028326 0.014351 0.008579 9C 1dxz 0.013762 -0.050905 0.007034 0.006933 0.019226 0.021296 9C 1dyz 0.018714 -0.009437 -0.014378 0.014825 -0.006757 0.020006 9C 1dx2y2 -0.023149 0.003518 -0.014311 -0.016228 0.005576 -0.020659 9C 1dxy 0.016453 -0.040823 -0.004942 0.000560 -0.023192 0.018263 9C 2dz2 0.058048 -0.024717 0.139720 -0.047980 -0.052142 -0.071497 9C 2dxz -0.218402 0.194187 -0.024645 0.018855 -0.019362 -0.160337 9C 2dyz 0.063326 -0.050740 0.077565 -0.219885 -0.003148 -0.068394 9C 2dx2y2 0.084042 -0.134783 -0.076350 -0.052294 0.019413 0.055714 9C 2dxy -0.155510 0.120657 -0.047292 -0.085949 0.060074 -0.052155 9C 1f0 -0.001767 0.004981 0.047229 -0.001109 -0.036917 0.004265 9C 1f+1 0.016445 0.008839 0.008323 0.048291 -0.002301 -0.017511 9C 1f-1 0.000384 -0.025449 -0.068206 -0.019012 0.006031 0.012926 9C 1f+2 0.044200 -0.030974 -0.084322 0.017518 -0.002710 0.022003 9C 1f-2 -0.065519 0.050238 0.052972 -0.075192 0.006626 -0.023832 9C 1f+3 0.083692 -0.038748 -0.094673 0.083358 -0.034274 0.046852 9C 1f-3 0.031753 -0.012266 0.015859 0.070584 -0.016072 0.000992 10H 1s -0.077945 0.057407 -0.271381 -0.028629 0.016066 0.027383 10H 2s 0.311464 -0.428339 0.622379 0.032454 -0.028517 -0.243572 10H 3s 0.181253 -0.011180 0.129092 -0.195755 -0.113579 -0.074753 10H 1pz -0.023851 -0.056589 0.082142 0.004730 0.042791 -0.032775 10H 1px -0.136651 0.108265 -0.067583 -0.058070 0.014289 0.069987 10H 1py -0.044281 -0.007435 0.050461 0.027489 -0.028935 -0.030509 11H 1s -0.120117 0.059891 -0.042424 0.211846 -0.021039 0.025045 11H 2s 0.398481 -0.095737 0.128011 -0.554439 -0.151396 -0.021836 11H 3s 0.098635 -0.067364 0.131009 -0.031021 -0.180505 0.191061 11H 1pz 0.126299 -0.035934 -0.007643 -0.048929 -0.031932 -0.027466 11H 1px -0.032433 0.028208 -0.017786 -0.131933 -0.041197 -0.001323 11H 1py -0.023265 -0.000667 -0.011131 0.019094 -0.022825 -0.051590 12H 1s -0.167001 0.072215 -0.039146 0.179380 0.150592 0.055018 12H 2s 0.371833 -0.001819 0.094498 -0.512494 -0.221454 -0.132255 12H 3s -0.006463 -0.062011 0.201570 0.012639 -0.074708 0.124081 12H 1pz 0.044153 -0.025077 -0.055298 -0.044677 0.024302 0.001686 12H 1px -0.077320 0.048730 -0.032437 -0.143593 0.008785 -0.002942 12H 1py 0.087693 0.011226 -0.011398 -0.053574 -0.043779 -0.036802 13H 1s -0.159422 0.018936 0.144451 0.043756 0.019404 0.129430 13H 2s 0.599388 0.142661 -0.214716 -0.155287 -0.254454 -0.155731 13H 3s 0.273797 -0.115058 0.065325 -0.208090 -0.131927 0.025280 13H 1pz 0.125597 0.025041 -0.042131 0.029857 0.004550 -0.051812 13H 1px -0.145257 -0.021388 -0.014951 -0.010512 0.045608 -0.011168 13H 1py 0.046252 -0.054388 0.031592 0.028706 0.032035 -0.015991 14H 1s -0.241444 0.043873 -0.112709 0.184084 0.115805 -0.029420 14H 2s 0.463896 -0.272961 0.242049 -0.541184 -0.281740 -0.084178 14H 3s 0.086044 0.027077 -0.276669 -0.081623 0.010684 -0.007401 14H 1pz 0.154010 -0.055481 0.036500 0.018630 0.012508 -0.056685 14H 1px -0.043102 -0.050486 0.050520 -0.135092 -0.087301 -0.016664 14H 1py 0.024074 -0.005476 -0.091315 0.053569 0.061548 -0.061039 15H 1s -0.110563 0.015889 -0.081689 0.228548 0.131101 -0.081179 15H 2s 0.372342 -0.106550 0.238082 -0.543160 -0.234631 0.117781 15H 3s 0.151245 -0.015851 -0.112070 -0.033380 0.095294 0.155720 15H 1pz 0.066642 -0.002073 -0.018839 0.071784 0.007821 -0.060387 15H 1px -0.041841 -0.006496 0.021897 -0.068799 -0.046873 -0.000939 15H 1py -0.112896 0.026602 -0.075838 0.065489 0.051348 -0.005408 16H 1s 0.100535 -0.009085 -0.147068 -0.095000 0.337177 0.152936 16H 2s -0.295630 -0.020663 0.464847 0.328686 -1.049044 -0.495862 16H 3s 0.094139 0.000726 -0.250675 -0.253365 0.407569 0.220543 16H 1pz -0.091705 -0.009604 0.169063 0.103312 -0.240100 -0.088760 16H 1px 0.123090 -0.003947 -0.019601 0.087606 0.282224 0.170162 16H 1py 0.008393 -0.011242 0.153400 0.098014 -0.042158 0.008487 17H 1s 0.109411 0.016791 0.071051 0.056379 0.403463 0.288731 17H 2s -0.278283 -0.038226 -0.276656 -0.169949 -1.313112 -0.945691 17H 3s 0.152544 0.009648 0.053938 0.150140 0.587642 0.429691 17H 1pz 0.027559 -0.002365 0.139481 0.134663 0.120219 0.095664 17H 1px 0.095434 0.009659 0.122918 -0.053240 0.391295 0.308483 17H 1py -0.010970 0.000877 -0.099884 -0.150237 -0.211552 -0.158893 18H 1s -0.104098 -0.018105 0.052087 0.073562 -0.307123 0.396105 18H 2s 0.259157 0.043898 -0.211221 -0.223798 1.001336 -1.296941 18H 3s -0.148029 -0.012501 0.031545 0.176535 -0.441139 0.589396 18H 1pz 0.021505 0.000192 -0.136424 -0.139340 0.097474 -0.137426 18H 1px 0.087691 0.012054 -0.100561 0.035784 0.298060 -0.413231 18H 1py -0.005117 -0.002221 0.089934 0.159157 -0.154510 0.213069 19H 1s -0.107364 0.012942 -0.165851 -0.078466 -0.266067 0.237010 19H 2s 0.317477 0.007526 0.528583 0.279225 0.821459 -0.753727 19H 3s -0.107357 0.006129 -0.277288 -0.228598 -0.311837 0.320025 19H 1pz -0.101057 -0.003733 -0.181990 -0.089348 -0.185124 0.143221 19H 1px 0.122120 -0.002409 0.024572 -0.099654 0.214844 -0.244562 19H 1py -0.002178 -0.007910 -0.167639 -0.094779 -0.035943 -0.001386 20H 1s 0.118117 -0.019330 -0.091090 0.231065 -0.129972 -0.039642 20H 2s -0.388118 0.117378 0.264599 -0.547556 0.215095 0.042001 20H 3s -0.159353 0.019547 -0.101672 -0.031906 -0.034209 0.174285 20H 1pz 0.063664 0.000006 0.015376 -0.072940 0.020043 0.054014 20H 1px -0.039638 -0.007337 -0.025730 0.072675 -0.035891 0.013858 20H 1py -0.112820 0.027711 0.081948 -0.064878 0.043139 -0.009681 21H 1s 0.244865 -0.046728 -0.132877 0.186576 -0.104312 0.004280 21H 2s -0.480518 0.278931 0.281116 -0.545286 0.203984 -0.161551 21H 3s -0.106032 -0.022035 -0.272046 -0.081987 -0.002553 -0.004714 21H 1pz 0.151343 -0.054639 -0.043893 -0.020643 0.024674 0.050537 21H 1px -0.039544 -0.051287 -0.052922 0.138647 -0.065705 0.041228 21H 1py 0.026029 -0.005483 0.090329 -0.054605 0.068603 0.040752 22H 1s 0.171012 -0.021568 0.138442 0.043857 0.009954 0.132041 22H 2s -0.618554 -0.137836 -0.176606 -0.161120 0.206669 -0.224869 22H 3s -0.284174 0.120423 0.079409 -0.206185 0.119296 -0.017952 22H 1pz 0.125043 0.025597 0.033886 -0.030599 0.014969 0.048004 22H 1px -0.145157 -0.021224 0.020722 0.011676 0.048638 -0.002612 22H 1py 0.043815 -0.054082 -0.034651 -0.030122 0.033692 0.004904 23H 1s 0.156021 -0.067477 -0.055241 0.182637 -0.112456 0.090324 23H 2s -0.347930 -0.002706 0.123751 -0.517387 0.144489 -0.169392 23H 3s 0.020951 0.057886 0.205669 0.004529 0.101494 0.106267 23H 1pz 0.046517 -0.026772 0.050098 0.040045 0.021244 -0.006703 23H 1px -0.074564 0.047229 0.035468 0.142093 0.017853 -0.004369 23H 1py 0.084991 0.011121 0.006390 0.057360 -0.031342 0.045164 24H 1s 0.114033 -0.058926 -0.050518 0.208133 0.040295 0.010509 24H 2s -0.374990 0.085655 0.162368 -0.554653 0.103141 -0.052483 24H 3s -0.079869 0.062836 0.151949 -0.040945 0.220145 0.127597 24H 1pz 0.124066 -0.034447 -0.000438 0.047520 -0.022999 0.034919 24H 1px -0.030757 0.029319 0.016894 0.134552 -0.029695 0.011043 24H 1py -0.021152 -0.000415 0.016050 -0.014537 -0.006835 0.053079 25H 1s 0.057290 -0.052695 -0.279152 -0.028299 0.000607 0.025012 25H 2s -0.265987 0.417075 0.647144 0.038871 -0.076314 -0.224165 25H 3s -0.160799 0.003494 0.150527 -0.195121 0.064317 -0.087444 25H 1pz -0.024974 -0.056978 -0.081819 -0.009395 0.056042 0.016816 25H 1px -0.129605 0.106270 0.075439 0.059797 -0.006446 -0.070393 25H 1py -0.046314 -0.005775 -0.046001 -0.024300 -0.014186 0.035362 26O 1s 0.000862 -0.000885 -0.001268 -0.004828 -0.000260 -0.002706 26O 2s 0.001525 0.002404 -0.006052 -0.014945 0.000975 -0.006957 26O 3s 0.014502 -0.102673 0.068668 0.075341 -0.036723 -0.003349 26O 4s -0.156903 0.612276 -0.277889 -0.001336 0.283153 0.284632 26O 5s -0.119552 -0.002383 0.726985 -0.505120 -0.850771 0.105891 26O 1pz -0.011638 -0.028707 0.013861 -0.015944 0.001474 -0.077649 26O 1px 0.063538 0.034904 -0.043368 -0.034061 0.049261 0.005426 26O 1py 0.019738 -0.014199 -0.027081 -0.041051 -0.022420 -0.054171 26O 2pz -0.022277 -0.036023 0.039205 0.114064 0.011254 0.030164 26O 2px 0.040717 -0.304692 0.060566 0.104517 -0.088602 -0.135792 26O 2py -0.006342 -0.134971 0.051614 0.124093 0.025190 -0.012721 26O 3pz -0.063219 0.159034 0.204823 -0.627387 0.025277 -0.379734 26O 3px -0.011783 -0.046517 -0.429233 -0.247341 0.429659 -0.118128 26O 3py 0.150590 0.013503 0.044944 -0.562077 0.029030 -0.308264 26O 1dz2 -0.001922 0.007401 -0.000540 -0.009030 0.002962 0.001002 26O 1dxz 0.001697 -0.010242 0.003080 0.003118 0.000649 0.001326 26O 1dyz 0.001774 -0.002578 0.001799 -0.003573 -0.002109 -0.002305 26O 1dx2y2 -0.002112 -0.004373 0.001209 0.001444 -0.001562 -0.000582 26O 1dxy -0.002740 -0.011298 0.002016 0.006134 -0.002828 -0.001260 26O 2dz2 0.031517 0.019120 -0.061149 -0.208957 0.061596 -0.052968 26O 2dxz 0.103815 -0.081431 -0.125689 0.052308 -0.026854 0.192196 26O 2dyz 0.060215 -0.093333 0.038393 -0.102288 -0.134584 -0.043294 26O 2dx2y2 -0.062902 -0.083365 0.093595 0.086445 -0.075716 -0.030414 26O 2dxy -0.113759 -0.086407 0.038296 0.133094 -0.093757 0.087329 26O 1f0 0.006253 0.003824 -0.002863 -0.005593 0.000111 -0.000160 26O 1f+1 -0.002178 0.007902 -0.002139 -0.002473 0.003005 0.001969 26O 1f-1 -0.001997 -0.000603 0.002715 0.003608 0.000870 0.002143 26O 1f+2 -0.002306 0.001263 -0.001584 0.002092 -0.000723 -0.000013 26O 1f-2 -0.007147 -0.008393 0.008052 0.008531 -0.002835 0.000708 26O 1f+3 -0.004632 0.002886 0.001857 0.001820 0.002135 0.002564 26O 1f-3 0.000891 0.016645 -0.003880 -0.006395 0.003623 0.001277 27O 1s 0.000679 -0.000423 0.002815 -0.003400 -0.006618 -0.000463 27O 2s -0.001558 -0.004498 0.009886 -0.009559 -0.017584 -0.001875 27O 3s 0.071006 0.076911 -0.068183 0.028197 0.021162 -0.003119 27O 4s -0.458818 -0.362214 0.078362 0.100744 0.450082 0.122610 27O 5s 0.296991 -0.018268 0.089643 -0.006212 0.335567 0.196385 27O 1pz 0.043615 0.021074 0.055869 0.009081 -0.042118 0.008292 27O 1px 0.039755 -0.045686 0.068800 -0.048726 0.027951 0.048875 27O 1py -0.012960 -0.019736 -0.002778 0.036977 0.046023 0.044566 27O 2pz -0.062980 0.012447 -0.090441 0.035064 0.044715 -0.038793 27O 2px 0.137612 0.229985 -0.136846 0.035356 -0.265252 -0.150337 27O 2py -0.006907 -0.065742 0.081828 -0.091121 0.014638 0.048861 27O 3pz 0.193985 -0.155597 0.305032 -0.240532 -0.314518 -0.127221 27O 3px -0.118249 0.010892 0.308217 -0.489133 -0.550225 -0.112666 27O 3py 0.026758 0.180340 -0.198853 0.630251 0.457998 0.259239 27O 1dz2 0.000056 -0.006598 0.002774 -0.002329 0.004311 -0.001717 27O 1dxz 0.002112 0.002751 -0.002996 0.000051 -0.001814 0.000369 27O 1dyz -0.001365 0.002834 -0.000960 0.006683 0.000944 -0.003704 27O 1dx2y2 0.002984 0.007796 -0.006705 0.006546 -0.001449 -0.004210 27O 1dxy -0.004827 -0.009646 0.002078 -0.003321 0.005283 -0.002007 27O 2dz2 0.022239 -0.101970 0.057120 -0.061218 0.020137 -0.077662 27O 2dxz -0.066476 0.003181 -0.052938 0.002775 0.082716 0.096135 27O 2dyz -0.073337 -0.011112 -0.035374 0.131041 0.107294 0.004960 27O 2dx2y2 -0.028770 0.088040 -0.198882 0.260594 0.104020 -0.082935 27O 2dxy -0.101701 -0.089900 -0.031735 -0.111675 -0.088831 -0.198711 27O 1f0 0.003962 -0.004723 0.004758 -0.005274 -0.001338 0.002029 27O 1f+1 -0.002364 -0.011390 0.006117 0.000200 0.008118 -0.000576 27O 1f-1 0.002224 0.002444 -0.003801 0.000516 0.001371 0.000703 27O 1f+2 -0.005214 -0.001383 0.001417 0.000002 0.005773 0.006132 27O 1f-2 -0.000069 -0.005866 0.005483 -0.002388 0.001432 0.003918 27O 1f+3 -0.005530 -0.004600 0.000361 -0.001138 0.005555 0.001159 27O 1f-3 0.000522 0.011326 -0.011263 0.006156 0.000427 -0.001192 28O 1s 0.004866 -0.001856 0.002181 -0.002075 0.003414 -0.004162 28O 2s 0.012327 -0.008550 0.005818 -0.005126 0.009986 -0.012689 28O 3s -0.020556 0.092398 0.014329 0.016571 -0.028742 0.043182 28O 4s -0.198163 -0.358941 -0.331915 0.096448 -0.111579 0.177962 28O 5s 0.442828 -0.234752 0.079563 -1.016064 -0.777909 0.043024 28O 1pz 0.019660 -0.025785 0.019016 0.012025 -0.042086 -0.014915 28O 1px 0.101363 0.012818 -0.006405 -0.026517 -0.019109 -0.062620 28O 1py -0.010708 0.012892 0.010041 0.034423 0.014045 -0.041699 28O 2pz 0.088577 0.167864 0.054046 -0.006442 0.137606 -0.096730 28O 2px -0.139864 -0.157221 -0.141954 -0.033321 -0.086492 0.113842 28O 2py 0.042256 0.035666 -0.009846 -0.046651 -0.005137 -0.009149 28O 3pz -0.210161 -0.061067 0.713819 0.308019 0.447838 -0.446748 28O 3px 0.208296 -0.262095 -0.064914 -0.285617 -0.502516 0.030964 28O 3py -0.042364 -0.145099 0.367725 0.192262 0.087851 -0.301691 28O 1dz2 0.003571 0.005141 -0.004581 -0.001799 -0.001024 -0.001354 28O 1dxz -0.009763 -0.011180 0.007122 0.006214 -0.003051 0.003218 28O 1dyz 0.004221 -0.000578 -0.001617 -0.003725 0.000174 0.001380 28O 1dx2y2 0.001581 0.002968 -0.001453 -0.001857 -0.000762 -0.000583 28O 1dxy -0.001515 -0.006437 0.003535 0.003002 -0.002111 0.002019 28O 2dz2 -0.033894 0.116041 -0.076680 -0.089560 0.032280 0.081598 28O 2dxz -0.225221 -0.092714 0.316455 0.144300 0.068199 -0.034652 28O 2dyz 0.045810 0.042801 -0.027326 -0.136520 0.000570 0.036066 28O 2dx2y2 0.094355 0.021063 -0.070582 -0.071723 -0.072979 -0.070532 28O 2dxy -0.026013 -0.037231 0.183595 0.073321 -0.009638 -0.109962 28O 1f0 -0.005453 -0.001189 0.000167 -0.003454 0.000300 0.003091 28O 1f+1 -0.006497 -0.010688 0.004095 0.001325 -0.002783 -0.001457 28O 1f-1 0.007170 0.008912 -0.000635 -0.006130 0.002223 -0.003851 28O 1f+2 0.011110 0.006110 0.000124 0.001499 0.002912 -0.002059 28O 1f-2 -0.002384 -0.005619 0.002480 0.000192 0.001129 -0.003758 28O 1f+3 0.005191 0.004134 0.003140 -0.002874 0.005177 -0.003253 28O 1f-3 -0.001181 -0.002589 0.003492 -0.000693 -0.001987 -0.000921 29O 1s 0.001828 0.001549 -0.002264 -0.007896 0.024329 0.020955 29O 2s 0.008631 0.004919 -0.007281 -0.024905 0.085017 0.071095 29O 3s -0.113628 -0.028159 0.045712 0.129851 -0.667359 -0.507588 29O 4s 0.386372 0.018802 -0.066583 -0.063675 1.321096 0.874371 29O 5s -0.224753 0.066523 -0.015334 -0.280609 0.198296 0.170897 29O 1pz 0.016684 -0.007524 -0.090379 -0.077171 0.053190 -0.020085 29O 1px -0.055169 -0.003055 -0.019209 -0.051271 -0.158516 -0.099302 29O 1py 0.040452 0.004655 -0.073100 0.006690 0.174232 0.096358 29O 2pz -0.039738 -0.002927 0.412737 0.293095 -0.076684 0.104205 29O 2px 0.095414 0.016643 0.112194 0.106878 0.518703 0.382603 29O 2py -0.140355 -0.010486 0.069686 -0.018887 -0.556584 -0.334218 29O 3pz -0.050022 0.007429 -0.105065 -0.135778 0.088303 0.062216 29O 3px 0.025479 -0.042885 0.038065 0.123037 -0.504886 -0.382174 29O 3py -0.002496 -0.023606 -0.009167 0.072814 -0.172735 -0.102720 29O 1dz2 -0.000326 -0.000746 0.003522 0.001768 -0.004086 -0.003352 29O 1dxz 0.001252 -0.000644 -0.002601 0.000872 -0.009171 -0.008853 29O 1dyz -0.000637 -0.001368 0.004507 0.004085 0.000057 0.000702 29O 1dx2y2 0.000048 0.001077 -0.003724 -0.002359 0.012444 0.009838 29O 1dxy 0.000934 0.000181 0.004809 0.001034 0.008342 0.008584 29O 2dz2 0.000283 0.010914 -0.051511 -0.082034 0.027576 0.021771 29O 2dxz 0.084620 -0.018862 0.025050 0.125538 0.114011 0.064718 29O 2dyz 0.013289 -0.008412 0.001681 0.089673 -0.060844 -0.058249 29O 2dx2y2 -0.068108 0.009175 -0.062569 0.072095 0.066895 0.027443 29O 2dxy 0.049792 0.008548 -0.013813 0.000003 0.191362 0.135012 29O 1f0 -0.012608 -0.000179 0.004973 0.002665 -0.040948 -0.023245 29O 1f+1 0.005511 0.000314 0.003525 0.000338 0.019326 0.012457 29O 1f-1 -0.011964 -0.000121 0.017986 0.008731 -0.041128 -0.018868 29O 1f+2 0.005020 -0.000038 -0.003940 -0.005120 0.009949 0.004279 29O 1f-2 -0.008468 -0.001698 -0.020917 -0.010909 -0.039097 -0.031806 29O 1f+3 0.001889 -0.000163 0.008008 0.003316 0.005943 0.004647 29O 1f-3 0.003486 0.000693 0.005197 0.004282 0.017759 0.012986 30O 1s 0.004303 -0.000231 0.001783 -0.001327 -0.003224 -0.000939 30O 2s 0.011471 0.003077 0.004742 -0.002854 -0.009908 -0.000598 30O 3s -0.024894 -0.079661 -0.026469 -0.001655 0.051401 -0.057570 30O 4s -0.179712 0.427078 -0.003405 0.114263 -0.070004 0.427317 30O 5s 0.464467 -0.062982 0.653361 -0.528029 0.042750 0.201317 30O 1pz -0.035105 0.003354 -0.058905 0.000664 -0.029962 -0.045004 30O 1px 0.078752 -0.061913 0.043776 0.001097 -0.012705 -0.074436 30O 1py -0.034605 0.000994 -0.015794 -0.010524 0.072359 0.059251 30O 2pz 0.079912 -0.139846 0.056911 0.000737 0.052408 -0.071969 30O 2px -0.098872 0.176364 0.028964 -0.026230 -0.030504 0.199095 30O 2py -0.032267 0.150293 -0.016497 0.024402 -0.076334 0.049852 30O 3pz -0.090204 0.069402 -0.578520 -0.034277 -0.171934 -0.363029 30O 3px 0.285108 0.115302 0.279523 -0.065595 -0.162668 -0.076696 30O 3py 0.038548 -0.154978 0.410606 -0.046678 0.307453 0.407434 30O 1dz2 -0.002153 -0.001298 0.000951 0.001722 0.000747 0.002147 30O 1dxz -0.001350 0.008192 -0.006923 0.001092 -0.002086 -0.001250 30O 1dyz -0.004445 0.007706 -0.008450 0.002390 0.001623 0.001364 30O 1dx2y2 0.000105 0.003864 -0.000780 0.003539 0.002550 0.001465 30O 1dxy 0.000718 -0.011159 0.004895 -0.001584 0.005939 -0.001168 30O 2dz2 -0.052766 0.046204 0.019865 0.011181 0.010317 0.147843 30O 2dxz -0.072556 0.094614 -0.260148 0.010942 -0.027849 -0.100216 30O 2dyz -0.063236 0.116547 -0.218384 0.080988 -0.128215 -0.068985 30O 2dx2y2 0.132044 0.012707 0.041891 0.051964 -0.163240 -0.139110 30O 2dxy 0.069248 -0.117366 0.152941 0.019896 0.178398 0.076057 30O 1f0 -0.004084 0.013085 -0.006207 0.003640 -0.005041 0.001680 30O 1f+1 0.003069 0.001332 -0.000724 -0.000230 -0.002081 0.000611 30O 1f-1 -0.000067 0.005255 -0.001515 0.002333 -0.001861 0.001289 30O 1f+2 -0.000466 0.004364 -0.003731 0.003397 -0.003283 -0.001520 30O 1f-2 0.006983 -0.012770 0.004463 0.001031 0.005129 -0.006431 30O 1f+3 0.003234 0.002696 -0.002256 -0.003265 -0.002288 0.001553 30O 1f-3 0.007222 -0.005821 0.002139 0.002136 0.002929 -0.005383 31O 1s -0.004282 0.000221 0.001968 -0.001280 0.002684 -0.001776 31O 2s -0.011338 -0.003122 0.005309 -0.002818 0.008968 -0.003221 31O 3s 0.022474 0.080146 -0.029824 0.000220 -0.063848 -0.041972 31O 4s 0.191080 -0.428525 0.006034 0.098325 0.192427 0.394264 31O 5s -0.458273 0.063954 0.651407 -0.503260 -0.063661 0.167921 31O 1pz -0.031016 0.003323 0.059027 0.000880 -0.017012 0.052167 31O 1px 0.077187 -0.061231 -0.044310 -0.003980 0.009756 0.076489 31O 1py -0.034580 0.000854 0.018562 0.009401 0.050852 -0.078977 31O 2pz 0.079102 -0.140289 -0.057542 -0.005677 0.069952 0.051588 31O 2px -0.101862 0.176358 -0.031898 0.032851 -0.079168 -0.182485 31O 2py -0.034036 0.150865 0.014521 -0.020062 -0.085020 -0.021506 31O 3pz -0.063662 0.067161 0.579169 0.041501 -0.086077 0.387913 31O 3px 0.276442 0.117698 -0.284845 0.058274 -0.108140 0.139680 31O 3py 0.017997 -0.151751 -0.418274 0.038154 0.199266 -0.475996 31O 1dz2 0.002348 0.001269 0.000892 0.001656 0.000063 0.002391 31O 1dxz 0.001187 -0.008194 -0.006918 0.000949 0.002045 -0.001822 31O 1dyz 0.004290 -0.007704 -0.008578 0.002195 -0.000740 0.001842 31O 1dx2y2 -0.000099 -0.003849 -0.000936 0.003597 -0.001832 0.002245 31O 1dxy -0.000521 0.011139 0.004852 -0.001300 -0.006186 0.000712 31O 2dz2 0.058865 -0.046052 0.018718 0.007801 0.035679 0.147721 31O 2dxz 0.060091 -0.093148 -0.260156 0.007323 0.009024 -0.101528 31O 2dyz 0.057357 -0.116573 -0.211235 0.072680 0.116663 -0.102535 31O 2dx2y2 -0.127960 -0.014028 0.048455 0.050281 0.117375 -0.182581 31O 2dxy -0.057220 0.114577 0.155825 0.027301 -0.151295 0.126988 31O 1f0 -0.004014 0.013112 0.006023 -0.003242 -0.005512 0.000014 31O 1f+1 0.003154 0.001333 0.000497 0.000366 -0.002066 0.000022 31O 1f-1 -0.000090 0.005278 0.001517 -0.002120 -0.002251 -0.000650 31O 1f+2 -0.000381 0.004385 0.003530 -0.003243 -0.003022 0.002515 31O 1f-2 0.006883 -0.012778 -0.004376 -0.001545 0.006570 0.004630 31O 1f+3 0.003339 0.002635 0.001835 0.003432 -0.002531 -0.000809 31O 1f-3 0.006878 -0.005705 -0.002381 -0.002386 0.004093 0.004241 32O 1s -0.001870 -0.001427 -0.003554 -0.007008 -0.017370 0.027022 32O 2s -0.008775 -0.004519 -0.011777 -0.021707 -0.061179 0.092363 32O 3s 0.114749 0.025540 0.081091 0.102509 0.491135 -0.676216 32O 4s -0.387708 -0.015186 -0.133764 -0.003207 -0.998469 1.212682 32O 5s 0.219488 -0.063211 -0.040973 -0.278858 -0.157179 0.220177 32O 1pz 0.020347 -0.009588 0.092105 0.074347 0.045819 0.011825 32O 1px -0.053437 -0.003660 0.011511 0.057960 -0.123531 0.141686 32O 1py 0.041667 0.004012 0.083843 -0.014690 0.134527 -0.141197 32O 2pz -0.058912 0.008058 -0.423269 -0.286502 -0.059891 -0.110384 32O 2px 0.089435 0.019000 -0.083637 -0.127314 0.393467 -0.522992 32O 2py -0.141835 -0.009390 -0.108762 0.039414 -0.427474 0.474569 32O 3pz -0.043713 0.004268 0.113627 0.128937 0.060501 -0.081246 32O 3px 0.022374 -0.041677 -0.067126 -0.101282 -0.377191 0.513202 32O 3py -0.000268 -0.023447 -0.002701 -0.068497 -0.139381 0.145227 32O 1dz2 0.000549 0.000619 0.003551 0.001342 0.002668 -0.004327 32O 1dxz -0.001389 0.000693 -0.002225 0.000373 0.006478 -0.011475 32O 1dyz 0.000895 0.001214 0.004769 0.004100 -0.000293 0.001072 32O 1dx2y2 -0.000194 -0.000991 -0.004684 -0.001984 -0.008759 0.012829 32O 1dxy -0.000762 -0.000232 0.004134 0.001260 -0.005710 0.010576 32O 2dz2 -0.002247 -0.010413 -0.056378 -0.079695 -0.021997 0.030232 32O 2dxz -0.080327 0.016520 0.031826 0.131015 -0.085061 0.093208 32O 2dyz -0.012861 0.007872 0.007050 0.085423 0.042412 -0.068927 32O 2dx2y2 0.065600 -0.008457 -0.068062 0.073980 -0.047583 0.044168 32O 2dxy -0.050211 -0.008586 -0.021636 0.013740 -0.144259 0.185153 32O 1f0 -0.012036 0.000017 -0.006108 -0.000444 -0.029794 0.031822 32O 1f+1 0.005815 0.000432 -0.002996 -0.001488 0.016717 -0.019731 32O 1f-1 -0.013412 0.000367 -0.020566 -0.006414 -0.033622 0.030735 32O 1f+2 0.005914 -0.000175 0.004970 0.004563 0.009810 -0.008637 32O 1f-2 -0.007025 -0.002098 0.019363 0.012627 -0.028784 0.041764 32O 1f+3 0.001328 -0.000059 -0.007266 -0.003116 0.003850 -0.004950 32O 1f-3 0.002922 0.000899 -0.004711 -0.005229 0.013441 -0.017707 33O 1s -0.004680 0.001819 0.002229 -0.001809 -0.004593 -0.002747 33O 2s -0.011874 0.008444 0.005895 -0.004373 -0.013588 -0.008574 33O 3s 0.021696 -0.092409 0.014054 0.014568 0.040548 0.031842 33O 4s 0.172988 0.363602 -0.329424 0.086251 0.173245 0.122517 33O 5s -0.410256 0.227099 0.155988 -1.033606 0.706010 -0.180400 33O 1pz 0.018005 -0.025019 -0.025210 -0.011645 -0.036126 0.024307 33O 1px 0.098507 0.013743 -0.000011 0.025006 -0.002084 0.063371 33O 1py -0.009254 0.011738 -0.008791 -0.034385 0.022432 0.034021 33O 2pz 0.083410 0.168616 -0.044668 0.000839 0.162241 0.048749 33O 2px -0.128982 -0.159547 0.140078 0.039397 -0.117234 -0.077260 33O 2py 0.041195 0.036829 0.009822 0.046001 0.002048 0.010810 33O 3pz -0.237225 -0.054455 -0.682485 -0.333125 0.582100 0.282946 33O 3px 0.194187 -0.257583 0.013440 0.297878 -0.482377 0.116729 33O 3py -0.062328 -0.139818 -0.364095 -0.199791 0.178392 0.246116 33O 1dz2 -0.003688 -0.005070 -0.004553 -0.001694 0.000927 -0.001704 33O 1dxz 0.009913 0.011148 0.007120 0.006062 0.003641 0.002204 33O 1dyz -0.004212 0.000626 -0.001236 -0.003610 0.000520 0.001499 33O 1dx2y2 -0.001538 -0.002980 -0.001423 -0.001825 0.000481 -0.000846 33O 1dxy 0.001713 0.006391 0.003688 0.002933 0.002468 0.001372 33O 2dz2 0.026681 -0.112447 -0.089711 -0.090589 -0.006666 0.081114 33O 2dxz 0.235745 0.090260 0.307554 0.148212 -0.089916 -0.004220 33O 2dyz -0.041207 -0.044449 -0.021999 -0.134391 0.006747 0.034150 33O 2dx2y2 -0.094597 -0.020526 -0.060630 -0.070826 0.052777 -0.087877 33O 2dxy 0.035659 0.034936 0.182817 0.073807 -0.029162 -0.097907 33O 1f0 -0.005349 -0.001279 -0.000099 0.003448 -0.000406 -0.003241 33O 1f+1 -0.006444 -0.010616 -0.004143 -0.001239 -0.001662 0.002112 33O 1f-1 0.006991 0.009013 0.000643 0.006013 0.003660 0.002898 33O 1f+2 0.010844 0.006131 -0.000220 -0.001707 0.002931 0.001224 33O 1f-2 -0.002484 -0.005634 -0.002376 -0.000301 0.002334 0.003280 33O 1f+3 0.005091 0.004070 -0.003029 0.002574 0.006055 0.001516 33O 1f-3 -0.001545 -0.002497 -0.003585 0.000755 -0.001295 0.001290 34O 1s -0.000642 0.000416 0.003253 -0.003616 0.005794 -0.002241 34O 2s 0.001714 0.004472 0.010879 -0.010119 0.015040 -0.006526 34O 3s -0.072629 -0.076748 -0.066264 0.028689 -0.015367 0.001873 34O 4s 0.462150 0.362783 0.031003 0.116310 -0.391286 0.245551 34O 5s -0.285609 0.016675 0.097092 -0.003336 -0.276585 0.245800 34O 1pz 0.040666 0.021440 -0.058978 -0.008150 -0.039081 0.004318 34O 1px 0.038799 -0.046291 -0.068276 0.045964 0.016517 -0.055518 34O 1py -0.013939 -0.020057 0.004390 -0.037318 0.026710 -0.056595 34O 2pz -0.060148 0.012379 0.096578 -0.035194 0.046108 0.023878 34O 2px 0.140388 0.231263 0.114850 -0.024988 -0.218041 0.215144 34O 2py -0.007981 -0.066273 -0.078857 0.089472 0.010667 -0.048330 34O 3pz 0.194054 -0.158586 -0.330324 0.244306 -0.229493 0.215386 34O 3px -0.103322 0.004786 -0.329665 0.502329 -0.443205 0.232818 34O 3py 0.001030 0.188112 0.213241 -0.642987 0.304614 -0.379057 34O 1dz2 -0.000036 0.006613 0.002668 -0.001965 -0.004883 -0.000317 34O 1dxz -0.002243 -0.002726 -0.002687 0.000010 0.001923 -0.000162 34O 1dyz 0.001452 -0.002882 -0.001161 0.006625 -0.001405 -0.003171 34O 1dx2y2 -0.003008 -0.007868 -0.006126 0.006375 0.000877 -0.004326 34O 1dxy 0.004748 0.009690 0.001512 -0.003063 -0.005714 -0.000404 34O 2dz2 -0.024273 0.102876 0.057910 -0.055365 -0.046842 -0.064414 34O 2dxz 0.061758 -0.002315 -0.052890 0.002837 -0.048213 0.117884 34O 2dyz 0.078554 0.009502 -0.046368 0.134358 -0.089117 0.037318 34O 2dx2y2 0.031648 -0.091482 -0.198095 0.259945 -0.102159 -0.053084 34O 2dxy 0.091912 0.091426 -0.041527 -0.110699 0.021617 -0.218558 34O 1f0 0.003910 -0.004742 -0.004994 0.005166 -0.001409 -0.001477 34O 1f+1 -0.002385 -0.011414 -0.005332 -0.000638 0.008125 -0.001626 34O 1f-1 0.002336 0.002443 0.003607 -0.000563 0.000917 -0.001060 34O 1f+2 -0.005339 -0.001395 -0.000657 -0.000203 0.003848 -0.007471 34O 1f-2 -0.000329 -0.005832 -0.005473 0.002197 0.000665 -0.004080 34O 1f+3 -0.005412 -0.004654 0.000425 0.000795 0.004936 -0.002571 34O 1f-3 0.000571 0.011414 0.010975 -0.005940 -0.000148 0.000871 35O 1s -0.000922 0.000901 -0.001224 -0.004785 -0.000704 -0.002473 35O 2s -0.001801 -0.002324 -0.006127 -0.014776 -0.003249 -0.005854 35O 3s -0.011250 0.101558 0.073268 0.073923 0.031782 -0.014473 35O 4s 0.140148 -0.606550 -0.310761 0.006530 -0.163144 0.342016 35O 5s 0.172532 -0.003016 0.757504 -0.548878 0.785926 -0.163377 35O 1pz -0.010067 -0.028913 -0.012005 0.014824 0.028408 0.069566 35O 1px 0.065508 0.034330 0.044397 0.031090 0.043635 -0.018795 35O 1py 0.020567 -0.013345 0.024264 0.039758 -0.002262 0.057210 35O 2pz -0.025074 -0.035302 -0.038784 -0.113040 -0.004543 -0.029325 35O 2px 0.037739 -0.302513 -0.072671 -0.101449 -0.043844 0.149630 35O 2py -0.008671 -0.134746 -0.052951 -0.123583 0.022099 0.004397 35O 3pz -0.077447 0.165066 -0.200699 0.617874 0.192100 0.323571 35O 3px 0.018741 -0.049150 0.449114 0.224149 0.448812 -0.024136 35O 3py 0.141040 0.021637 -0.054793 0.550972 0.165674 0.254583 35O 1dz2 0.001850 -0.007387 -0.000689 -0.008757 -0.003133 0.002031 35O 1dxz -0.001580 0.010213 0.003358 0.003242 -0.000390 0.001323 35O 1dyz -0.001829 0.002558 0.001960 -0.003565 0.000682 -0.002523 35O 1dx2y2 0.002254 0.004332 0.001283 0.001360 0.001466 -0.001207 35O 1dxy 0.002655 0.011338 0.002160 0.005964 0.002391 -0.002182 35O 2dz2 -0.030846 -0.020480 -0.056907 -0.200727 -0.084010 -0.026277 35O 2dxz -0.106901 0.082687 -0.117968 0.048457 0.093286 0.160687 35O 2dyz -0.055742 0.091548 0.047403 -0.108250 0.105639 -0.077652 35O 2dx2y2 0.071410 0.080703 0.099413 0.083478 0.062003 -0.052191 35O 2dxy 0.109210 0.090251 0.035612 0.123714 0.121112 0.046846 35O 1f0 0.006262 0.003811 0.002613 0.005467 0.000135 0.000022 35O 1f+1 -0.002229 0.007909 0.002370 0.002246 0.002152 -0.002819 35O 1f-1 -0.002215 -0.000571 -0.002634 -0.003605 -0.000035 -0.002242 35O 1f+2 -0.002005 0.001224 0.001892 -0.002024 -0.000617 0.000309 35O 1f-2 -0.007415 -0.008309 -0.007710 -0.008175 -0.002853 0.000202 35O 1f+3 -0.004601 0.002814 -0.001615 -0.001917 0.001168 -0.002977 35O 1f-3 0.000887 0.016621 0.004302 0.006189 0.002950 -0.002287 414 415 416 417 418 419 2.27736 2.28109 2.28189 2.30381 2.31645 2.31932 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s 0.000689 0.001106 -0.000561 0.001290 -0.000341 -0.000105 0Rh 2s -0.003967 -0.000859 0.001496 -0.006636 0.002757 -0.000747 0Rh 3s 0.001643 0.005993 -0.002394 0.003558 -0.000329 -0.001071 0Rh 4s 0.020249 0.003717 -0.007394 0.033621 -0.014110 0.004063 0Rh 5s -0.034365 0.027509 0.001362 -0.049438 0.027696 -0.016624 0Rh 6s 0.012534 -0.160245 0.049958 -0.021727 -0.024746 0.054920 0Rh 7s -0.052850 1.134767 -0.391171 0.219176 0.164950 -0.614288 0Rh 8s 0.209204 -0.163538 0.266054 0.038918 -0.137661 0.141090 0Rh 1pz -0.003252 0.000640 0.007540 0.002940 0.002294 0.012427 0Rh 1px 0.002984 0.010718 -0.005477 -0.001133 0.004814 -0.002439 0Rh 1py 0.007538 0.001388 0.003262 0.005971 -0.007663 0.000231 0Rh 2pz 0.010967 -0.001353 -0.024977 -0.010283 -0.008292 -0.043563 0Rh 2px -0.011680 -0.036998 0.019970 0.004013 -0.017020 0.008571 0Rh 2py -0.024823 -0.004587 -0.010638 -0.020695 0.026933 -0.001046 0Rh 3pz 0.003636 -0.018828 -0.018459 0.004555 0.009385 0.022319 0Rh 3px 0.032081 0.007722 -0.026956 -0.002862 0.011869 -0.004921 0Rh 3py -0.021725 -0.003451 -0.011603 0.005585 -0.015304 0.005411 0Rh 4pz -0.092473 0.089973 0.253073 0.053599 0.020890 0.209544 0Rh 4px -0.051880 0.224431 -0.026415 -0.014763 0.069455 -0.041248 0Rh 4py 0.265874 0.045376 0.123336 0.120703 -0.123313 -0.013536 0Rh 5pz 0.181313 -0.179430 -0.489428 -0.106059 -0.054053 -0.388898 0Rh 5px 0.094547 -0.440449 0.052171 0.014782 -0.134354 0.100751 0Rh 5py -0.517395 -0.079684 -0.238649 -0.225412 0.225345 0.015566 0Rh 6pz -0.022786 0.449271 0.092148 0.183971 0.203249 -0.233950 0Rh 6px 0.008880 0.865063 -0.106570 0.232683 0.076175 -0.511261 0Rh 6py 0.430870 -0.204574 0.028019 -0.019159 0.323593 0.108189 0Rh 1dz2 0.005691 0.021459 -0.002191 0.009637 0.004843 0.007179 0Rh 1dxz 0.002090 -0.023821 0.003013 -0.019672 -0.000927 -0.010280 0Rh 1dyz 0.000491 -0.008753 0.005982 0.006775 -0.002604 0.000931 0Rh 1dx2y2 0.010852 -0.019521 0.007797 0.005253 -0.005367 -0.003600 0Rh 1dxy -0.004527 0.010887 -0.008422 -0.020502 0.011989 -0.000193 0Rh 2dz2 -0.002207 0.000351 0.001590 -0.003016 0.001263 -0.000536 0Rh 2dxz 0.000302 -0.000643 -0.002938 0.001762 0.000983 -0.001500 0Rh 2dyz 0.000130 0.003224 -0.000901 -0.008489 -0.002197 -0.000458 0Rh 2dx2y2 0.001654 0.001907 -0.001140 -0.000846 0.001057 0.000858 0Rh 2dxy -0.002897 0.000148 -0.001931 -0.002539 -0.000028 0.000288 0Rh 3dz2 -0.005502 -0.058990 -0.001018 -0.012258 -0.018428 -0.017157 0Rh 3dxz -0.006703 0.067093 0.004464 0.045610 -0.001726 0.034333 0Rh 3dyz -0.001524 0.009134 -0.011836 0.019930 0.016719 -0.000468 0Rh 3dx2y2 -0.036577 0.043515 -0.015698 -0.010429 0.009934 0.006125 0Rh 3dxy 0.024629 -0.030107 0.031163 0.066843 -0.032273 -0.000648 0Rh 4dz2 -0.033364 -0.001429 0.019823 -0.050310 0.013770 -0.006735 0Rh 4dxz 0.000197 -0.008022 -0.035651 0.024264 0.012121 -0.017893 0Rh 4dyz -0.004804 0.047796 -0.019123 -0.130421 -0.030052 -0.007176 0Rh 4dx2y2 0.023489 0.036607 -0.020133 -0.012135 0.013845 0.009495 0Rh 4dxy -0.035726 0.004263 -0.026523 -0.037010 -0.002062 0.002833 0Rh 5dz2 0.162887 0.150459 -0.035576 0.245518 0.001311 0.035272 0Rh 5dxz 0.025329 -0.062300 0.092620 -0.172725 -0.024770 -0.014266 0Rh 5dyz 0.107752 -0.179274 0.183768 0.505912 0.076556 0.025281 0Rh 5dx2y2 -0.030070 -0.278669 0.129614 0.068356 -0.074131 -0.012650 0Rh 5dxy 0.083691 0.015549 0.069555 0.042235 0.060113 0.001005 0Rh 1f0 -0.039421 0.043613 0.038635 -0.014119 0.033704 0.037867 0Rh 1f+1 0.002878 -0.179854 -0.036100 -0.141473 -0.053454 -0.015680 0Rh 1f-1 -0.001020 -0.070494 0.034695 -0.080431 0.152484 -0.050694 0Rh 1f+2 0.040703 -0.006330 0.022585 -0.005415 -0.000827 0.273968 0Rh 1f-2 -0.052980 0.014420 -0.077155 -0.224034 0.100907 0.051317 0Rh 1f+3 0.090011 -0.224699 0.016745 0.015528 -0.031955 -0.006040 0Rh 1f-3 0.048757 -0.020799 0.001581 -0.048534 0.060149 0.051967 1Rh 1s -0.000626 0.001167 -0.000113 0.001287 -0.000367 -0.000025 1Rh 2s 0.003521 -0.001253 -0.001344 -0.006608 0.002953 -0.001243 1Rh 3s -0.001543 0.006111 -0.001487 0.003558 -0.000366 -0.000902 1Rh 4s -0.017973 0.005741 0.007057 0.033482 -0.015120 0.006584 1Rh 5s 0.030128 0.023794 -0.023471 -0.049171 0.029726 -0.020850 1Rh 6s -0.009510 -0.157514 0.058433 -0.021882 -0.026844 0.055623 1Rh 7s 0.028653 1.128152 -0.376359 0.218479 0.177453 -0.606883 1Rh 8s -0.204869 -0.303469 -0.094383 0.039942 -0.148639 0.144361 1Rh 1pz -0.003476 0.003827 0.006477 -0.003060 -0.002847 -0.012405 1Rh 1px 0.003465 -0.011993 0.002319 0.001190 -0.004269 0.002120 1Rh 1py 0.007545 0.001086 0.003636 -0.006106 0.007853 -0.000203 1Rh 2pz 0.011767 -0.013283 -0.020989 0.010683 0.010274 0.043555 1Rh 2px -0.013358 0.042035 -0.007160 -0.004226 0.015024 -0.007389 1Rh 2py -0.024850 -0.003511 -0.011955 0.021134 -0.027572 0.001000 1Rh 3pz 0.002916 0.004280 -0.026289 -0.004377 -0.011338 -0.023813 1Rh 3px 0.032799 -0.022371 -0.016625 0.003229 -0.009045 0.002974 1Rh 3py -0.021607 -0.004620 -0.010676 -0.005042 0.014985 -0.006519 1Rh 4pz -0.095015 0.074298 0.258693 -0.057150 -0.026688 -0.203147 1Rh 4px -0.043310 -0.198583 0.118682 0.014739 -0.067181 0.041035 1Rh 4py 0.265467 0.045002 0.127810 -0.126088 0.129218 0.018583 1Rh 5pz 0.185763 -0.139366 -0.502831 0.112904 0.065195 0.376075 1Rh 5px 0.078373 0.390581 -0.231770 -0.014661 0.129738 -0.100490 1Rh 5py -0.516009 -0.093009 -0.241886 0.235903 -0.237135 -0.025697 1Rh 6pz 0.011293 -0.323983 0.318310 -0.182370 -0.163803 0.268158 1Rh 6px 0.035572 -0.780111 0.437047 -0.237006 -0.065006 0.538272 1Rh 6py 0.414431 0.155443 -0.116049 0.007350 -0.309663 -0.098320 1Rh 1dz2 -0.006320 0.018610 -0.010866 0.010065 0.004780 0.006569 1Rh 1dxz -0.002057 -0.021192 0.010956 -0.019854 -0.001329 -0.010212 1Rh 1dyz -0.000191 -0.010669 0.000609 0.007186 -0.000443 0.001436 1Rh 1dx2y2 -0.009954 -0.020757 0.005931 0.005448 -0.006440 -0.003371 1Rh 1dxy 0.003539 0.013899 -0.000489 -0.020661 0.012210 0.000347 1Rh 2dz2 0.002186 -0.000647 -0.001472 -0.003050 0.000907 -0.000773 1Rh 2dxz -0.000312 0.001197 0.002877 0.001721 0.001092 -0.001288 1Rh 2dyz -0.000307 0.003077 -0.001235 -0.008665 -0.003411 -0.001032 1Rh 2dx2y2 -0.001750 0.002253 -0.000264 -0.000844 0.000998 0.000791 1Rh 2dxy 0.002892 0.001409 0.001483 -0.002653 -0.000376 0.000146 1Rh 3dz2 0.007291 -0.047031 0.035480 -0.013239 -0.016601 -0.014434 1Rh 3dxz 0.006656 0.052113 -0.041956 0.046278 -0.001119 0.033229 1Rh 3dyz 0.001516 0.014796 0.003697 0.019633 0.016377 0.000754 1Rh 3dx2y2 0.034591 0.045262 -0.014643 -0.010959 0.013149 0.005818 1Rh 3dxy -0.021945 -0.043727 -0.005118 0.067781 -0.031274 -0.001461 1Rh 4dz2 0.033048 -0.012857 -0.014938 -0.051215 0.007432 -0.010379 1Rh 4dxz -0.000314 0.014107 0.035426 0.023768 0.013773 -0.015088 1Rh 4dyz 0.002071 0.049236 -0.013664 -0.133581 -0.049741 -0.016049 1Rh 4dx2y2 -0.024935 0.042325 -0.006380 -0.012227 0.012405 0.008295 1Rh 4dxy 0.035722 0.021096 0.019159 -0.038738 -0.007999 0.000404 1Rh 5dz2 -0.165107 0.143150 -0.061446 0.255035 0.036924 0.046912 1Rh 5dxz -0.025987 -0.101966 -0.050048 -0.172347 -0.033620 -0.024415 1Rh 5dyz -0.096437 -0.253798 -0.037940 0.526851 0.177781 0.062302 1Rh 5dx2y2 0.040588 -0.308975 0.070058 0.070684 -0.069901 -0.004109 1Rh 5dxy -0.087394 -0.034278 -0.069872 0.049300 0.090315 0.015259 1Rh 1f0 -0.042196 -0.011663 0.057682 0.013376 -0.044430 -0.036744 1Rh 1f+1 0.002577 0.122947 -0.131880 0.145084 0.063740 0.015404 1Rh 1f-1 -0.001423 0.074527 -0.019372 0.077166 -0.157871 0.051630 1Rh 1f+2 0.040692 0.019623 0.018693 0.006303 -0.002365 -0.286478 1Rh 1f-2 -0.049687 -0.058758 -0.054219 0.228462 -0.081412 -0.048430 1Rh 1f+3 0.088091 0.190063 -0.119172 -0.015047 0.039077 0.001048 1Rh 1f-3 0.052798 0.019444 -0.010259 0.046443 -0.060381 -0.053521 2C 1s 0.002151 0.003976 0.005526 -0.001959 0.001296 -0.001712 2C 2s -0.001037 0.005364 0.010188 -0.011900 0.004049 -0.008365 2C 3s 0.094013 0.048705 0.076339 0.166522 -0.032769 0.055816 2C 4s -0.642194 -0.654076 -1.182231 -0.309225 0.066454 0.022514 2C 5s 2.295737 1.359424 2.018142 -0.115551 -0.736522 0.409282 2C 1pz -0.020997 -0.071681 -0.104355 0.038510 -0.061175 0.054000 2C 1px -0.000722 -0.097752 -0.036036 -0.190230 0.028036 -0.048304 2C 1py -0.086128 -0.020951 -0.048812 0.058351 0.081845 -0.087450 2C 2pz -0.394601 -0.514971 -0.699187 -0.213584 0.278811 -0.148082 2C 2px -0.146808 0.276648 -0.066994 0.441068 -0.036884 0.134758 2C 2py -0.163544 -0.366875 -0.535574 -0.217809 -0.472367 0.355679 2C 3pz 0.386733 0.246571 0.280384 -0.033233 -0.099349 0.032543 2C 3px 0.184034 0.131857 0.372365 -0.214629 0.020727 -0.053868 2C 3py 0.286961 0.097685 0.151366 -0.049466 -0.174098 0.034406 2C 1dz2 0.008415 0.012394 0.029736 0.009219 0.093133 -0.059276 2C 1dxz 0.006425 0.054844 0.006987 0.088662 0.020553 0.029143 2C 1dyz 0.016560 0.016592 0.013443 -0.013550 -0.015223 0.003945 2C 1dx2y2 -0.011105 0.007611 0.001433 0.009735 0.078455 -0.056636 2C 1dxy 0.003923 0.004162 -0.022925 0.022318 -0.082517 0.091914 2C 2dz2 -0.117194 -0.206764 -0.268870 -0.076802 -0.181773 0.187557 2C 2dxz -0.127706 -0.036645 -0.020482 -0.054169 -0.081999 -0.091571 2C 2dyz -0.142273 -0.172177 -0.304928 -0.071214 -0.009317 0.028086 2C 2dx2y2 -0.020129 0.058131 0.024865 -0.081901 -0.189224 0.162297 2C 2dxy 0.018179 0.008011 0.019849 -0.018757 0.307966 -0.199140 2C 1f0 0.002159 0.038345 0.035351 0.015032 0.108560 -0.093072 2C 1f+1 -0.005697 -0.014753 -0.026547 -0.033622 -0.024902 0.024525 2C 1f-1 -0.010513 -0.040762 -0.055386 0.015378 -0.015211 0.038963 2C 1f+2 -0.024255 -0.032664 -0.027406 0.022592 0.017486 0.011806 2C 1f-2 0.036610 0.063015 0.044662 0.080109 0.016402 0.021285 2C 1f+3 -0.083444 -0.042863 -0.063403 -0.004508 0.042538 -0.055609 2C 1f-3 -0.021867 -0.017573 -0.016129 -0.067346 -0.009030 -0.027557 3C 1s -0.005973 0.001955 0.000705 0.001402 -0.000044 -0.001025 3C 2s -0.009392 -0.000708 0.000195 0.008168 -0.000576 -0.004400 3C 3s -0.084373 0.080923 0.031689 -0.090654 0.033213 0.018000 3C 4s 1.210054 -0.425736 -0.310869 0.127011 -0.244579 0.031071 3C 5s -2.529013 1.155858 0.996316 0.567384 0.925617 0.951986 3C 1pz 0.049703 0.075657 -0.056081 -0.095062 -0.054662 -0.066031 3C 1px 0.107040 -0.112913 0.036102 0.071836 -0.082366 -0.104250 3C 1py -0.101324 0.048829 0.024867 -0.018561 -0.062062 -0.059189 3C 2pz 0.493977 -0.453802 0.039845 0.255516 0.233138 0.146316 3C 2px 0.147894 0.272990 -0.293942 -0.162824 0.304472 0.341272 3C 2py -0.784860 0.326364 0.098716 -0.070892 0.421566 0.071629 3C 3pz -0.012122 0.145278 0.097021 0.049687 0.122212 0.100965 3C 3px -0.283147 0.008443 0.093167 0.140719 0.162998 0.034661 3C 3py 0.509209 -0.238511 -0.143044 -0.154614 -0.145770 -0.202876 3C 1dz2 -0.004627 -0.020747 0.010696 0.030241 0.016415 -0.022444 3C 1dxz 0.007026 0.006978 -0.016213 -0.026969 0.110102 0.092092 3C 1dyz 0.017392 0.020166 -0.010342 -0.039296 -0.017933 0.013222 3C 1dx2y2 0.035708 -0.017594 -0.018232 0.017748 0.100958 0.070285 3C 1dxy 0.010247 -0.056982 0.013209 0.054204 -0.014770 -0.029840 3C 2dz2 -0.068075 0.057497 0.014068 -0.115131 0.075958 -0.075238 3C 2dxz -0.084392 0.014337 0.023137 0.044190 -0.320657 -0.234718 3C 2dyz -0.340135 0.127561 -0.012378 0.028438 0.084993 -0.111459 3C 2dx2y2 -0.285008 0.158435 0.057243 -0.024618 -0.227260 -0.146897 3C 2dxy -0.094931 0.019551 0.113586 -0.089367 0.003989 0.127533 3C 1f0 -0.071268 0.008273 0.020798 0.027515 0.065892 0.064844 3C 1f+1 -0.014785 0.004923 0.000505 0.037300 -0.006298 -0.019306 3C 1f-1 -0.060100 0.070758 0.008767 -0.052421 -0.072568 -0.036001 3C 1f+2 0.060388 -0.036463 -0.021058 0.031990 -0.003359 -0.015298 3C 1f-2 0.026342 -0.037173 0.006399 0.003527 -0.006395 0.002251 3C 1f+3 0.054938 -0.040788 -0.013285 0.004215 0.064371 0.082234 3C 1f-3 -0.034535 0.021684 -0.001516 -0.047869 0.062247 0.049381 4C 1s 0.009559 0.022268 0.033202 0.005924 -0.000371 -0.004142 4C 2s 0.030195 0.071882 0.108402 0.019701 -0.001223 -0.014673 4C 3s -0.352511 -0.651347 -1.068681 -0.379515 -0.008226 0.061063 4C 4s 1.111860 0.939352 2.168433 1.160292 0.066629 0.401909 4C 5s -1.250220 -1.023561 -1.680918 -0.308134 0.412368 -0.063500 4C 1pz 0.096519 -0.076828 -0.013658 -0.105999 0.039483 0.028811 4C 1px 0.042237 0.176612 -0.035309 0.251386 -0.101197 0.047687 4C 1py 0.037166 0.001693 -0.020644 -0.004859 -0.059291 0.067397 4C 2pz -0.352805 -0.341980 -0.555780 0.166581 -0.091913 0.080649 4C 2px -0.441178 -0.106305 0.165434 -0.203284 0.375895 0.010928 4C 2py -0.226604 -0.222206 -0.289276 0.081645 0.136653 0.032327 4C 3pz 1.101917 0.710287 1.040976 -0.502618 -0.268959 -0.126069 4C 3px -0.251448 0.243959 -0.166390 0.085412 -0.014265 -0.214973 4C 3py 0.608712 0.471335 0.570923 -0.371076 -0.261595 -0.016182 4C 1dz2 0.006918 0.036008 -0.000344 0.013782 -0.029049 0.004524 4C 1dxz 0.013454 -0.037925 -0.016979 0.003953 -0.006358 0.017552 4C 1dyz 0.017410 0.036990 0.021497 0.016210 0.026256 -0.001635 4C 1dx2y2 -0.011777 0.023073 0.041077 -0.023503 -0.022448 -0.034529 4C 1dxy 0.026661 0.002924 0.016187 -0.019447 -0.009270 0.015515 4C 2dz2 0.106830 0.287077 0.456861 -0.118972 -0.043044 -0.092617 4C 2dxz -0.010307 0.431949 0.620144 0.028223 0.320489 -0.271390 4C 2dyz 0.337346 0.443705 0.704880 0.002914 0.064523 -0.175715 4C 2dx2y2 -0.184459 -0.219978 -0.417352 0.296605 0.209993 -0.017771 4C 2dxy -0.115877 0.063781 0.124792 0.088749 -0.108062 0.144573 4C 1f0 0.007739 0.011315 0.023694 -0.018806 0.082546 -0.055492 4C 1f+1 0.001939 0.037352 0.010579 0.009636 0.008839 -0.019620 4C 1f-1 0.016356 -0.032765 0.002437 -0.042364 0.005473 -0.008847 4C 1f+2 0.006381 -0.000001 -0.009040 0.068197 0.054677 -0.002777 4C 1f-2 -0.004772 0.032708 -0.011115 0.040394 -0.003021 0.031296 4C 1f+3 0.009605 0.000832 -0.023465 -0.004459 -0.041003 0.041004 4C 1f-3 -0.007766 -0.006441 0.011699 -0.046328 -0.022816 0.011544 5C 1s -0.035952 0.013597 0.002924 -0.001617 0.001528 -0.002477 5C 2s -0.116823 0.044478 0.008809 -0.004651 0.005599 -0.008341 5C 3s 1.134980 -0.437986 -0.112637 0.139485 -0.055078 0.146347 5C 4s -2.207410 0.653350 0.532438 -0.522325 0.147759 -0.321387 5C 5s 1.833143 -0.726985 -0.423324 0.080859 -0.355195 -0.544125 5C 1pz 0.000804 -0.128982 0.018423 0.057462 0.031872 0.014623 5C 1px -0.021936 0.255501 -0.046659 -0.102593 0.046527 0.150982 5C 1py -0.025926 0.042910 -0.087673 -0.016544 0.003613 -0.015122 5C 2pz 0.434864 0.007606 0.134227 -0.107195 -0.149493 0.041203 5C 2px 0.027787 -0.290510 -0.405344 0.116441 0.028736 -0.420024 5C 2py -0.551484 0.252181 0.192095 0.076094 0.137702 0.041042 5C 3pz -0.878899 0.262675 0.266185 0.444508 0.448700 0.319524 5C 3px -0.275207 0.499442 0.002239 0.248609 0.014258 0.093985 5C 3py 1.275212 -0.667404 -0.426211 -0.660898 -0.523879 -0.257686 5C 1dz2 0.044510 -0.005103 -0.006546 -0.014755 -0.049423 0.009881 5C 1dxz 0.015410 -0.022659 0.006753 -0.024077 -0.000832 0.018937 5C 1dyz 0.034862 -0.041831 0.011645 0.000934 0.024590 -0.007531 5C 1dx2y2 -0.016321 -0.026520 0.009763 0.025521 -0.001836 0.013690 5C 1dxy 0.001984 0.011887 -0.023614 0.003930 0.001401 0.002920 5C 2dz2 0.013261 -0.045873 0.175183 0.049368 -0.061183 0.049251 5C 2dxz -0.415776 0.050431 -0.009140 0.073071 0.367974 0.070771 5C 2dyz 0.467082 -0.129698 -0.223148 -0.003231 -0.137097 0.007920 5C 2dx2y2 0.576832 -0.106784 -0.195013 -0.032883 0.014517 -0.021530 5C 2dxy 0.833905 -0.337668 0.142691 -0.045719 0.102227 0.319059 5C 1f0 -0.019639 0.023108 -0.021170 0.016364 -0.020143 -0.019181 5C 1f+1 -0.012056 -0.027943 -0.000191 0.012926 0.033160 0.022848 5C 1f-1 -0.002914 0.055584 0.001682 -0.046220 -0.064278 -0.013137 5C 1f+2 0.009708 0.033749 -0.010265 -0.026031 0.037981 0.014563 5C 1f-2 0.007945 -0.021664 0.019495 -0.018804 -0.055414 -0.029132 5C 1f+3 -0.003078 0.021987 0.001857 0.009129 0.007968 0.036777 5C 1f-3 0.023679 0.027270 -0.027773 -0.038304 0.043590 0.038521 6C 1s 0.035450 0.010240 -0.010856 -0.001962 0.002105 -0.002380 6C 2s 0.115231 0.033959 -0.034890 -0.005742 0.007400 -0.008210 6C 3s -1.128385 -0.320734 0.359483 0.151881 -0.058985 0.156702 6C 4s 2.237671 0.284571 -0.813378 -0.557723 0.094933 -0.386564 6C 5s -1.792088 -0.394561 0.779895 0.110716 -0.340962 -0.544754 6C 1pz -0.003841 0.115780 -0.064983 -0.055196 -0.026709 -0.013528 6C 1px -0.012955 -0.235656 0.120285 0.104487 -0.036260 -0.144724 6C 1py -0.023221 -0.088588 -0.042660 0.016530 -0.005574 0.016096 6C 2pz 0.425773 0.080421 0.112000 0.095907 0.153161 -0.033753 6C 2px 0.032116 0.008959 -0.512560 -0.113166 -0.083249 0.376881 6C 2py -0.537476 -0.099819 0.308387 -0.069850 -0.139347 -0.040284 6C 3pz -0.886630 -0.079711 0.369220 -0.414080 -0.405663 -0.291757 6C 3px -0.250832 -0.401855 0.304566 -0.245974 -0.055330 -0.108535 6C 3py 1.280315 0.314914 -0.736932 0.625155 0.501526 0.243591 6C 1dz2 -0.044509 -0.001656 0.008440 -0.014629 -0.048418 0.011871 6C 1dxz -0.014591 -0.022242 0.008461 -0.024604 -0.002433 0.018067 6C 1dyz -0.033188 -0.041270 0.017145 0.001620 0.021317 -0.010590 6C 1dx2y2 0.017683 -0.026201 0.007887 0.025433 -0.002725 0.011078 6C 1dxy -0.003720 0.023264 0.011404 0.004190 0.004149 0.004054 6C 2dz2 -0.016371 -0.142589 -0.118104 0.051141 -0.053708 0.051812 6C 2dxz 0.409066 0.058117 -0.026763 0.067662 0.365274 0.065311 6C 2dyz -0.469899 0.011677 0.263116 0.001366 -0.121795 0.027140 6C 2dx2y2 -0.568067 0.011124 0.237680 -0.030502 0.010411 -0.019643 6C 2dxy -0.811821 -0.373782 0.101184 -0.036530 0.048839 0.293876 6C 1f0 -0.018719 -0.031745 -0.002557 -0.016407 0.017226 0.017923 6C 1f+1 -0.012731 0.022421 -0.017127 -0.012429 -0.031196 -0.021252 6C 1f-1 -0.000663 -0.043305 0.035698 0.045482 0.060529 0.009634 6C 1f+2 0.010010 -0.033165 0.011732 0.025906 -0.036587 -0.013720 6C 1f-2 0.006068 0.028855 0.002375 0.018263 0.054759 0.028841 6C 1f+3 -0.002102 -0.016713 0.015262 -0.009507 -0.009438 -0.037790 6C 1f-3 0.024247 -0.037848 -0.006650 0.038774 -0.041375 -0.038118 7C 1s -0.009375 -0.002264 -0.039916 0.006611 0.000040 -0.004761 7C 2s -0.029530 -0.007968 -0.129858 0.021990 -0.000207 -0.017101 7C 3s 0.340469 0.117934 1.249391 -0.403256 -0.008634 0.091960 7C 4s -1.064131 -0.527190 -2.325891 1.213483 0.039537 0.328275 7C 5s 1.189623 0.233554 1.959666 -0.364338 0.250011 -0.142443 7C 1pz 0.093883 0.058927 -0.054936 0.106355 -0.046120 -0.037882 7C 1px 0.041493 -0.166391 0.074207 -0.253824 0.087881 -0.057403 7C 1py 0.035812 -0.013811 -0.012813 0.002813 0.052460 -0.074346 7C 2pz -0.341677 -0.083178 -0.649395 -0.146360 0.122601 -0.082349 7C 2px -0.432945 0.181556 0.059388 0.207936 -0.347316 0.035669 7C 2py -0.220274 -0.003645 -0.376566 -0.065991 -0.107653 -0.017346 7C 3pz 1.076267 0.064343 1.298758 0.468692 0.214115 0.115776 7C 3px -0.241245 -0.311316 -0.003888 -0.072109 0.046484 0.231065 7C 3py 0.600992 -0.037691 0.765263 0.346781 0.250035 0.024344 7C 1dz2 -0.007752 0.028509 -0.020608 0.012359 -0.026693 0.008328 7C 1dxz -0.012492 -0.021266 0.035532 0.003024 0.000710 0.024715 7C 1dyz -0.017780 0.016315 -0.039291 0.017479 0.030829 0.002005 7C 1dx2y2 0.011752 -0.005693 -0.046770 -0.023474 -0.023744 -0.037465 7C 1dxy -0.025987 -0.008418 -0.015746 -0.018774 -0.008256 0.015311 7C 2dz2 -0.110071 -0.051962 -0.545316 -0.109203 -0.020441 -0.092251 7C 2dxz 0.010067 -0.029168 -0.743852 0.041025 0.312627 -0.304324 7C 2dyz -0.337323 -0.074362 -0.836922 0.024333 0.064514 -0.199368 7C 2dx2y2 0.188420 0.088632 0.480113 0.281656 0.194002 -0.007429 7C 2dxy 0.122561 -0.016946 -0.145413 0.092013 -0.114818 0.118363 7C 1f0 0.008172 0.005479 0.023842 0.018969 -0.083983 0.054880 7C 1f+1 0.002590 -0.023120 0.029580 -0.009319 -0.006258 0.022185 7C 1f-1 0.015981 0.028985 -0.017049 0.042129 -0.008435 0.007212 7C 1f+2 0.005479 -0.004803 -0.008424 -0.067055 -0.057074 0.000064 7C 1f-2 -0.005080 -0.033151 0.010069 -0.040569 0.002314 -0.030935 7C 1f+3 0.010147 -0.014362 -0.016683 0.003914 0.039540 -0.042183 7C 1f-3 -0.007711 0.012441 0.006956 0.046018 0.023916 -0.009622 8C 1s 0.005910 0.001305 -0.001913 0.001335 0.000199 -0.000891 8C 2s 0.009332 -0.000460 -0.000257 0.008144 0.000332 -0.004037 8C 3s 0.084434 0.050289 -0.069729 -0.092604 0.020055 0.008054 8C 4s -1.204720 -0.198729 0.506596 0.142989 -0.207985 0.074392 8C 5s 2.520478 0.412123 -1.470568 0.497704 0.835738 0.902273 8C 1pz 0.052197 -0.092840 -0.000235 0.092376 0.052829 0.063382 8C 1px 0.103351 0.116280 -0.040592 -0.076169 0.074000 0.098170 8C 1py -0.098951 -0.025675 0.051045 0.017651 0.051847 0.049856 8C 2pz 0.477937 0.404506 -0.251517 -0.258241 -0.216877 -0.135506 8C 2px 0.161794 -0.388043 -0.073202 0.166682 -0.302311 -0.345543 8C 2py -0.778571 -0.228143 0.279050 0.084087 -0.396016 -0.043501 8C 3pz -0.013820 -0.059029 0.156855 -0.047177 -0.112923 -0.098176 8C 3px -0.292392 0.038360 0.079655 -0.135677 -0.158780 -0.031541 8C 3py 0.500844 0.120306 -0.257460 0.139165 0.131502 0.195969 8C 1dz2 0.005024 -0.022954 0.004063 0.030280 0.018208 -0.022275 8C 1dxz -0.006698 0.015337 0.009872 -0.028417 0.101335 0.087441 8C 1dyz -0.018372 0.021939 -0.003941 -0.039079 -0.018110 0.014333 8C 1dx2y2 -0.034444 -0.003983 0.026764 0.016968 0.093526 0.064795 8C 1dxy -0.008431 -0.053719 0.024404 0.055099 -0.013969 -0.031534 8C 2dz2 0.068201 0.038241 -0.045713 -0.114163 0.070608 -0.075518 8C 2dxz 0.081728 -0.000106 -0.031912 0.045690 -0.302216 -0.226197 8C 2dyz 0.338743 0.119750 -0.068462 0.025293 0.082047 -0.119565 8C 2dx2y2 0.276528 0.100772 -0.147330 -0.026132 -0.200258 -0.132686 8C 2dxy 0.096894 -0.045873 -0.106621 -0.093669 -0.015726 0.117340 8C 1f0 -0.071891 0.002574 0.022317 -0.025259 -0.060232 -0.059849 8C 1f+1 -0.011996 -0.003480 0.002962 -0.037902 0.001342 0.017401 8C 1f-1 -0.057015 -0.052259 0.050326 0.052410 0.066438 0.029942 8C 1f+2 0.059278 0.018006 -0.038299 -0.032893 0.001226 0.015443 8C 1f-2 0.026113 0.034998 -0.018458 -0.004850 0.008755 0.000465 8C 1f+3 0.054041 0.025729 -0.036144 -0.003696 -0.054849 -0.075764 8C 1f-3 -0.033894 -0.018827 0.010443 0.049428 -0.053713 -0.045825 9C 1s -0.002288 -0.000204 -0.006849 -0.001849 0.001500 -0.001678 9C 2s 0.000367 -0.001826 -0.011458 -0.011773 0.003736 -0.009032 9C 3s -0.083948 -0.007419 -0.091443 0.171601 -0.030192 0.053994 9C 4s 0.611403 0.195630 1.352792 -0.351974 0.058985 0.066546 9C 5s -2.208632 -0.150501 -2.480624 -0.037025 -0.584646 0.476526 9C 1pz -0.023184 -0.007643 -0.125294 -0.042092 0.066715 -0.047392 9C 1px 0.002110 0.057510 -0.086676 0.191370 -0.008571 0.057954 9C 1py -0.086157 -0.013365 -0.055152 -0.050141 -0.082082 0.084157 9C 2pz -0.380811 -0.015999 -0.881201 0.243429 -0.267660 0.123867 9C 2px -0.146632 -0.266015 0.108147 -0.441983 0.022730 -0.129060 9C 2py -0.160471 -0.035000 -0.646245 0.227133 0.491830 -0.353461 9C 3pz 0.369834 -0.027113 0.371731 0.017362 0.068137 -0.052122 9C 3px 0.182294 0.124721 0.389412 0.203371 -0.023119 0.069711 9C 3py 0.276873 0.019434 0.197661 0.049039 0.154214 -0.046839 9C 1dz2 -0.008413 -0.008328 -0.029038 0.008248 0.095132 -0.056034 9C 1dxz -0.006784 0.038649 -0.037716 0.089147 0.029745 0.034490 9C 1dyz -0.017096 0.004962 -0.021524 -0.012518 -0.013836 0.004947 9C 1dx2y2 0.010810 0.006123 -0.003663 0.008742 0.076047 -0.058869 9C 1dxy -0.003400 0.016950 0.012886 0.023514 -0.079099 0.090103 9C 2dz2 0.114021 -0.002487 0.333139 -0.079745 -0.178743 0.191379 9C 2dxz 0.128732 -0.011039 0.038945 -0.060425 -0.101992 -0.102151 9C 2dyz 0.139748 0.047383 0.352768 -0.083907 -0.023896 0.031758 9C 2dx2y2 0.019969 0.028837 -0.062735 -0.079767 -0.207826 0.148585 9C 2dxy -0.016529 -0.000739 -0.010663 -0.015733 0.277879 -0.212062 9C 1f0 0.002475 -0.009094 0.048549 -0.013164 -0.106021 0.092063 9C 1f+1 -0.004522 -0.004769 -0.027139 0.031909 0.028821 -0.016805 9C 1f-1 -0.011249 -0.000674 -0.069510 -0.013844 0.010635 -0.042798 9C 1f+2 -0.025737 0.009220 -0.044442 -0.019593 -0.018672 -0.010415 9C 1f-2 0.034450 -0.021731 0.070992 -0.079935 -0.028499 -0.031125 9C 1f+3 -0.079864 -0.005923 -0.077195 0.006594 -0.037002 0.057276 9C 1f-3 -0.023541 0.003678 -0.026379 0.068235 0.019054 0.038337 10H 1s 0.053064 0.087766 0.105035 -0.119222 0.084846 -0.149506 10H 2s -0.177027 -0.408977 -0.219750 -0.053576 0.012936 -0.047505 10H 3s -0.224837 -0.131920 -0.359573 0.002852 0.108205 -0.122868 10H 1pz 0.038237 -0.145977 -0.080837 -0.071022 -0.055282 0.067357 10H 1px 0.029373 0.020458 -0.016646 -0.043923 -0.040349 0.071116 10H 1py -0.066611 -0.005092 0.002340 0.029230 0.071471 -0.106049 11H 1s 0.062826 0.163736 0.138564 0.258696 0.194072 -0.081983 11H 2s -0.192125 -0.193126 -0.236850 -0.260237 0.121669 -0.092965 11H 3s -0.148941 0.104961 0.084989 0.064725 0.255307 -0.208197 11H 1pz -0.008248 0.000028 -0.025408 0.018620 -0.003130 0.025175 11H 1px -0.044910 -0.028455 -0.039826 -0.111223 0.130567 -0.115489 11H 1py -0.060138 -0.001054 -0.009693 -0.060286 -0.017616 -0.040903 12H 1s 0.140363 -0.006936 0.013012 0.036739 -0.297557 0.326303 12H 2s -0.374124 -0.061378 -0.202265 -0.112074 -0.105771 -0.140992 12H 3s -0.097474 -0.144436 -0.138085 -0.084818 -0.159681 0.111958 12H 1pz 0.018966 0.014834 0.011441 -0.009202 0.047545 -0.072615 12H 1px -0.008227 -0.091566 -0.096768 -0.187499 -0.061057 0.039798 12H 1py -0.079425 0.040159 -0.013098 0.064123 -0.082896 -0.003412 13H 1s -0.103993 0.048287 0.033295 0.123633 -0.114716 -0.123721 13H 2s 0.224729 -0.356349 0.027579 0.046274 -0.026649 -0.118287 13H 3s 0.336957 -0.019772 -0.108614 0.022012 -0.181100 -0.141642 13H 1pz 0.007151 -0.021968 -0.005698 -0.038827 -0.074374 -0.176223 13H 1px 0.028275 0.013236 0.001942 -0.040530 -0.007695 -0.032352 13H 1py -0.081844 0.132076 -0.061518 -0.060339 -0.069181 -0.103554 14H 1s -0.065400 -0.012968 0.011836 -0.036667 0.328208 0.322677 14H 2s 0.312619 -0.002202 -0.171957 0.042512 0.054340 -0.181467 14H 3s 0.228419 -0.147312 -0.089766 0.018266 0.183469 0.123548 14H 1pz -0.065512 0.121863 -0.082005 -0.109671 0.031764 -0.077917 14H 1px 0.138775 -0.054976 -0.017911 0.067963 0.090054 0.045956 14H 1py 0.018520 -0.002530 0.003910 -0.046194 0.031017 0.041832 15H 1s -0.160625 0.191702 0.018872 -0.202327 -0.177996 -0.141753 15H 2s 0.328961 -0.234836 -0.049101 0.228881 -0.118386 0.142997 15H 3s -0.110340 0.074104 -0.092817 -0.116722 -0.185664 -0.228627 15H 1pz -0.013676 0.021368 -0.022220 0.007783 0.076613 0.013164 15H 1px 0.092457 -0.063931 0.004717 0.076494 -0.097756 -0.114436 15H 1py -0.043049 0.005640 0.013910 -0.046152 0.008696 -0.086841 16H 1s -0.017289 0.146101 -0.023162 -0.183715 0.006957 0.023784 16H 2s 0.080797 -0.423039 0.064792 0.632611 -0.027459 -0.087158 16H 3s -0.022913 0.153659 -0.151724 -0.219913 -0.006928 0.039752 16H 1pz 0.086742 -0.145393 0.045067 0.244608 -0.006660 -0.019115 16H 1px 0.042183 0.037078 0.118648 -0.103913 -0.002167 0.006485 16H 1py 0.027677 -0.053565 0.037935 0.057438 0.015124 -0.051196 17H 1s 0.120737 -0.044965 -0.058214 0.030328 0.082886 -0.038582 17H 2s -0.427635 0.138621 0.206597 -0.082010 -0.261847 0.058488 17H 3s 0.099751 -0.137229 0.006593 0.020483 0.115386 -0.006497 17H 1pz -0.016137 -0.055396 0.001311 0.015229 0.042096 0.000753 17H 1px 0.198122 0.032486 -0.133214 0.065188 0.080325 -0.029186 17H 1py -0.070984 0.094124 -0.023170 -0.053564 -0.017769 -0.014529 18H 1s -0.127381 0.006483 0.065468 0.031054 0.114625 -0.013117 18H 2s 0.451643 -0.038833 -0.224338 -0.086877 -0.374700 -0.032550 18H 3s -0.108526 -0.103861 0.063486 0.022104 0.165029 0.030734 18H 1pz -0.009350 0.041612 -0.030192 -0.017174 -0.080906 -0.027187 18H 1px 0.208334 -0.112647 -0.083029 -0.069568 -0.116160 -0.001462 18H 1py -0.072284 -0.088185 0.032677 0.054494 0.050185 0.039606 19H 1s 0.010789 0.136452 -0.078869 -0.184853 -0.035784 -0.004391 19H 2s -0.058938 -0.395779 0.232881 0.637627 0.114430 0.006356 19H 3s 0.017361 0.217352 0.019603 -0.222629 -0.068300 0.002180 19H 1pz 0.080973 0.147313 -0.059831 -0.246162 -0.050364 -0.019680 19H 1px 0.048501 0.037314 0.127569 0.103984 0.020519 0.005041 19H 1py 0.032828 0.066397 -0.001869 -0.061989 -0.044254 0.030693 20H 1s 0.154016 0.145482 -0.132652 -0.201781 -0.166479 -0.127125 20H 2s -0.325441 -0.163145 0.176341 0.231021 -0.109760 0.139500 20H 3s 0.100768 0.113789 0.019713 -0.113031 -0.162601 -0.211764 20H 1pz -0.013913 -0.030205 -0.006911 -0.008466 -0.071656 -0.008478 20H 1px 0.092542 0.058559 -0.035957 -0.080176 0.084059 0.102986 20H 1py -0.042043 0.005559 0.013159 0.044677 -0.012167 0.081189 21H 1s 0.069982 -0.012372 0.001356 -0.044800 0.289928 0.298079 21H 2s -0.317836 0.084744 0.143199 0.055901 0.087030 -0.160864 21H 3s -0.218154 -0.067962 0.159895 0.020336 0.169228 0.112602 21H 1pz -0.059932 -0.147568 0.007665 0.108543 -0.036050 0.073449 21H 1px 0.137602 0.040157 -0.051071 -0.071423 -0.092130 -0.047475 21H 1py 0.017655 0.004089 0.001050 0.045656 -0.022808 -0.038798 22H 1s 0.100204 0.020465 -0.057144 0.124925 -0.091780 -0.111088 22H 2s -0.208230 -0.306562 0.196379 0.048985 -0.056789 -0.145578 22H 3s -0.342739 0.036346 0.097952 0.030427 -0.157272 -0.124966 22H 1pz 0.006745 0.014455 -0.018068 0.036374 0.070851 0.172737 22H 1px 0.030421 -0.006797 0.009460 0.038622 0.000884 0.022128 22H 1py -0.075178 -0.143151 0.031747 0.058675 0.050157 0.088540 23H 1s -0.134329 -0.017283 -0.017641 0.047741 -0.275776 0.332036 23H 2s 0.362140 0.079238 0.204260 -0.135543 -0.154588 -0.173063 23H 3s 0.091430 -0.035691 0.182754 -0.085514 -0.161960 0.103610 23H 1pz 0.018608 -0.006623 0.017360 0.007203 -0.040334 0.078406 23H 1px -0.005132 0.016181 -0.130567 0.188530 0.089246 -0.018136 23H 1py -0.079025 -0.041112 0.012190 -0.055761 0.083244 0.003286 24H 1s -0.059718 0.044347 -0.202545 0.254560 0.229374 -0.051436 24H 2s 0.182422 -0.003284 0.306843 -0.251019 0.055866 -0.148827 24H 3s 0.139252 0.032098 -0.119439 0.059090 0.266991 -0.200548 24H 1pz -0.008394 -0.017348 -0.018591 -0.025668 0.012130 -0.013415 24H 1px -0.041675 -0.002484 -0.052542 0.111989 -0.110269 0.126607 24H 1py -0.060211 -0.006035 -0.008881 0.066010 0.024629 0.047614 25H 1s -0.053196 0.006736 -0.133208 -0.118531 0.060966 -0.160653 25H 2s 0.177058 -0.186883 0.420666 -0.060911 0.025437 -0.040324 25H 3s 0.218464 0.115475 0.380727 -0.009073 0.081914 -0.121193 25H 1pz 0.036223 0.068520 -0.149410 0.067440 0.051104 -0.068085 25H 1px 0.032068 -0.023178 -0.000381 0.043345 0.045374 -0.070509 25H 1py -0.064710 0.004981 -0.004188 -0.020840 -0.084559 0.089258 26O 1s -0.002532 -0.001765 -0.005388 -0.003484 0.000241 -0.002692 26O 2s -0.006444 -0.002274 -0.016304 -0.009646 -0.001475 -0.006275 26O 3s 0.003302 -0.039213 0.069769 0.048815 0.049411 0.004252 26O 4s 0.202825 0.311518 0.074452 -0.010220 -0.266101 0.158223 26O 5s 0.071750 -0.480410 -0.292750 -0.569982 0.035691 -0.418230 26O 1pz -0.024337 -0.123019 -0.119781 -0.059256 -0.019178 0.004607 26O 1px 0.004281 0.029257 0.023551 0.021100 -0.048954 0.037764 26O 1py 0.001172 -0.014267 -0.023748 0.015309 0.100883 -0.101351 26O 2pz 0.021440 0.114386 0.119748 0.088782 -0.005941 0.068457 26O 2px -0.095631 -0.032248 0.018373 0.078881 0.145143 -0.022144 26O 2py 0.008742 -0.007458 0.048670 0.062493 -0.059308 0.131649 26O 3pz -0.254194 -0.580601 -0.808746 -0.247732 -0.058233 0.044376 26O 3px 0.039911 0.042144 0.248883 0.100513 -0.016498 0.289624 26O 3py -0.398787 -0.115497 -0.312807 0.004173 0.321078 -0.159236 26O 1dz2 0.004677 -0.007656 -0.008722 -0.003229 -0.002248 -0.003462 26O 1dxz 0.002754 -0.000739 0.004396 -0.006151 0.001902 -0.007164 26O 1dyz -0.006227 -0.009371 -0.005765 -0.012578 0.008494 -0.007248 26O 1dx2y2 0.004268 0.000500 0.000782 0.000163 -0.000575 0.001637 26O 1dxy 0.000184 -0.006020 0.004730 -0.007171 0.000417 -0.003712 26O 2dz2 0.037543 -0.094413 -0.149980 -0.007284 -0.032035 0.017061 26O 2dxz 0.112905 0.230894 0.422032 -0.068676 0.089104 -0.175928 26O 2dyz -0.133199 -0.051116 -0.018584 -0.176444 0.123229 -0.118827 26O 2dx2y2 0.022979 -0.096874 -0.064416 -0.031212 0.116460 -0.124186 26O 2dxy 0.084835 -0.052244 0.156976 -0.235318 -0.122213 -0.003070 26O 1f0 -0.002384 0.003004 -0.002855 0.000949 -0.000886 0.003436 26O 1f+1 0.001303 -0.002168 -0.006736 0.001699 -0.005260 0.008085 26O 1f-1 0.000336 0.003427 0.000945 0.005629 -0.007688 0.006461 26O 1f+2 0.000459 -0.002534 0.001569 -0.004698 0.003294 -0.005247 26O 1f-2 0.001968 -0.001526 0.002592 0.002141 0.001992 0.002979 26O 1f+3 0.005273 -0.000007 -0.002205 0.001093 0.000350 0.003868 26O 1f-3 0.001037 0.003180 -0.009129 0.003648 -0.006953 0.002521 27O 1s 0.004125 -0.002182 0.000208 0.003395 -0.001382 -0.001846 27O 2s 0.012149 -0.004135 0.000762 0.009602 -0.002703 -0.002517 27O 3s -0.044101 -0.015879 -0.016195 -0.041531 -0.015386 -0.047816 27O 4s -0.110667 0.227765 0.094119 -0.047915 0.188506 0.376948 27O 5s 0.379841 -0.552908 0.473943 0.171979 -0.361159 -0.065411 27O 1pz 0.049235 -0.007407 0.019949 0.028751 -0.137628 -0.091777 27O 1px -0.030135 0.051691 -0.009158 0.005607 0.014589 -0.002265 27O 1py -0.143085 0.078183 0.006864 -0.048562 -0.009609 -0.017777 27O 2pz -0.056681 0.012494 -0.006706 -0.028030 0.138405 0.134586 27O 2px -0.016138 -0.038659 -0.113392 -0.021608 0.000259 -0.142819 27O 2py 0.130243 -0.047351 0.022185 0.076933 -0.054736 0.017012 27O 3pz 0.466882 -0.192975 -0.033823 0.045320 -0.477260 -0.254879 27O 3px -0.227043 0.011217 -0.128177 0.030581 -0.019177 -0.069145 27O 3py -0.783198 0.308047 -0.141852 -0.215706 0.143951 -0.021506 27O 1dz2 0.001025 0.003243 -0.004024 -0.007254 -0.000903 -0.000550 27O 1dxz -0.000107 -0.004309 -0.000438 0.003126 -0.002872 -0.002041 27O 1dyz -0.010515 0.009325 -0.000517 -0.004925 0.004851 0.006847 27O 1dx2y2 -0.008262 0.000028 -0.002169 -0.002283 0.004494 0.000533 27O 1dxy 0.001665 0.009528 -0.002132 -0.005268 0.005508 0.009411 27O 2dz2 0.051182 0.086968 -0.111131 -0.132784 -0.022550 -0.000928 27O 2dxz -0.172502 -0.025288 0.049643 0.039879 0.203511 0.088166 27O 2dyz -0.238490 0.169108 -0.007282 -0.098505 0.031416 0.053697 27O 2dx2y2 -0.027142 -0.099543 0.049431 -0.024213 0.009920 0.020513 27O 2dxy 0.395733 0.010115 -0.045951 -0.089804 0.108899 0.164728 27O 1f0 0.002805 0.000101 -0.002241 0.005006 -0.001233 -0.004088 27O 1f+1 0.006554 0.005507 0.000504 -0.002321 0.001044 0.007672 27O 1f-1 0.000839 -0.002306 0.001673 -0.001323 -0.001229 -0.002974 27O 1f+2 0.002377 -0.002707 0.001505 0.002543 -0.004217 -0.001953 27O 1f-2 0.000185 0.000659 0.001147 0.004599 -0.003612 -0.005060 27O 1f+3 0.003615 0.003135 0.001201 -0.002839 0.005021 0.010264 27O 1f-3 -0.004809 -0.005012 0.002609 0.002525 -0.003089 -0.009614 28O 1s -0.000717 -0.002767 -0.004530 -0.000616 -0.001377 0.000614 28O 2s -0.001295 -0.009158 -0.012083 -0.005572 -0.002235 -0.000051 28O 3s -0.004093 0.041670 0.012624 0.100661 -0.026605 0.038641 28O 4s 0.080236 0.057943 0.335546 -0.426930 0.264170 -0.237407 28O 5s -0.659108 0.110289 -0.021636 0.067421 -0.114370 0.010822 28O 1pz -0.036803 -0.027596 -0.055974 0.027093 0.031721 -0.009809 28O 1px -0.035003 0.020144 -0.049388 0.130210 0.011115 0.011428 28O 1py -0.023496 -0.058996 -0.078873 0.015681 -0.140174 0.136801 28O 2pz 0.039007 0.026358 -0.029678 0.089639 -0.078273 -0.028665 28O 2px 0.001876 -0.003802 0.145777 -0.244041 0.066611 -0.059259 28O 2py 0.007535 0.081126 0.053718 -0.001495 0.150734 -0.157967 28O 3pz 0.364058 -0.589414 -0.361472 -0.107100 -0.135033 0.459485 28O 3px -0.273832 0.206646 -0.229656 0.240512 0.073559 -0.070968 28O 3py -0.110316 -0.428937 -0.290995 -0.008970 -0.270993 0.409059 28O 1dz2 0.000730 0.003377 -0.004750 0.005264 -0.005043 0.006646 28O 1dxz 0.002615 -0.007652 -0.004178 -0.006993 0.002093 0.005525 28O 1dyz -0.003243 0.001768 -0.006115 0.008000 -0.006084 0.007096 28O 1dx2y2 0.001841 0.004006 0.001947 -0.003186 0.000654 -0.001989 28O 1dxy -0.000950 -0.005387 -0.002048 -0.002402 -0.002865 0.000831 28O 2dz2 0.022792 0.120519 0.140147 -0.127198 -0.162668 0.070999 28O 2dxz 0.069404 -0.319566 -0.271153 -0.211937 0.000548 0.084579 28O 2dyz 0.036350 0.049277 0.012167 -0.017620 -0.006325 -0.021951 28O 2dx2y2 -0.023536 0.072181 -0.096573 0.131689 -0.059178 0.054181 28O 2dxy -0.124919 -0.186396 -0.263367 -0.004594 -0.109386 0.121569 28O 1f0 0.000298 -0.004308 -0.002840 -0.007073 -0.003701 0.003590 28O 1f+1 -0.001202 -0.013160 -0.003793 -0.013410 0.005586 -0.003913 28O 1f-1 -0.000009 0.001981 0.003590 0.001424 0.006654 -0.009197 28O 1f+2 0.002469 0.007997 0.002587 0.016249 -0.005540 0.003838 28O 1f-2 0.001247 -0.003718 0.000293 -0.006969 0.002220 -0.003744 28O 1f+3 0.000086 0.000297 -0.000509 0.001522 -0.007534 0.003067 28O 1f-3 -0.001820 -0.003125 -0.003088 -0.005768 0.002441 -0.003250 29O 1s 0.007214 -0.001013 -0.001089 -0.007046 0.002342 0.001828 29O 2s 0.023956 -0.001630 -0.004659 -0.024187 0.008432 0.005718 29O 3s -0.153407 -0.029712 0.059363 0.178983 -0.072072 -0.030086 29O 4s 0.216582 0.210879 -0.186363 -0.306948 0.162779 -0.022493 29O 5s 0.034175 -0.284425 0.067956 -0.164028 0.002373 0.237866 29O 1pz -0.045459 0.145976 0.034329 -0.089456 -0.035330 0.050896 29O 1px -0.076079 0.000260 -0.000303 -0.013487 -0.023356 0.012736 29O 1py 0.041208 0.002508 -0.010737 0.017057 0.012980 -0.021045 29O 2pz 0.200186 -0.350204 -0.010161 0.373631 0.091931 -0.114758 29O 2px 0.179244 -0.050953 -0.045537 0.024637 0.082401 -0.007223 29O 2py -0.078907 -0.028790 0.077038 0.036509 -0.059723 0.021930 29O 3pz 0.070211 0.002106 -0.158790 -0.048763 -0.031431 0.101098 29O 3px -0.089280 0.135713 -0.059596 0.114974 -0.018225 -0.116426 29O 3py -0.120126 -0.040001 -0.006706 0.114223 -0.064212 -0.024158 29O 1dz2 0.001711 -0.000684 -0.001538 0.005211 0.000240 -0.001254 29O 1dxz -0.004980 0.001366 0.005109 -0.002014 -0.000818 -0.002196 29O 1dyz 0.001090 -0.004256 0.000790 0.004836 0.000004 -0.001590 29O 1dx2y2 0.000785 -0.001245 -0.000572 -0.003450 0.000332 0.001172 29O 1dxy 0.006462 0.001085 0.000561 -0.002679 0.002045 0.000492 29O 2dz2 0.074502 0.023887 -0.060292 0.036752 -0.005806 0.013283 29O 2dxz 0.010408 -0.004175 0.155095 -0.054845 -0.003886 -0.022867 29O 2dyz -0.105339 -0.037906 0.077208 -0.056339 -0.021052 -0.026081 29O 2dx2y2 -0.042912 -0.085761 0.060860 -0.010191 -0.028915 0.052713 29O 2dxy 0.108003 0.035046 0.051319 -0.065264 0.016206 0.005815 29O 1f0 -0.003075 -0.006929 0.005421 0.013868 -0.004802 0.000307 29O 1f+1 0.004364 0.002559 -0.002741 -0.001402 0.002927 0.000487 29O 1f-1 0.004117 -0.014186 0.006186 0.023335 -0.002184 -0.002780 29O 1f+2 -0.001486 0.005027 -0.000725 -0.008432 0.000673 -0.000050 29O 1f-2 -0.015775 0.005960 0.006691 -0.009993 -0.010055 0.002809 29O 1f+3 0.003861 -0.002807 -0.000794 0.003438 0.001968 0.000032 29O 1f-3 0.005778 -0.006332 -0.003206 0.008964 0.003080 -0.001403 30O 1s 0.005468 -0.002831 -0.002138 0.001773 0.002380 0.001050 30O 2s 0.014661 -0.010761 -0.005440 0.008498 0.006271 0.000835 30O 3s -0.021263 0.078787 0.014565 -0.100192 -0.018971 0.037272 30O 4s -0.354126 -0.103818 0.067112 0.349903 -0.050472 -0.280472 30O 5s 0.092781 -0.161581 -0.626764 -0.276601 0.144616 0.227298 30O 1pz 0.054205 -0.046191 -0.002934 0.002490 0.136280 0.108696 30O 1px 0.061633 0.054708 -0.061550 -0.060590 0.054402 0.084116 30O 1py -0.068561 0.004081 0.029051 0.018477 0.044513 -0.010137 30O 2pz 0.018479 0.081076 0.042860 -0.049683 -0.178018 -0.108773 30O 2px -0.146539 -0.069389 0.022788 0.137105 -0.045680 -0.147910 30O 2py 0.023686 -0.070678 -0.030676 -0.009752 0.028661 0.022864 30O 3pz 0.315667 -0.488616 0.053593 0.047677 0.263942 0.309459 30O 3px 0.244186 0.072953 -0.492428 -0.130764 0.130169 0.079090 30O 3py -0.464882 0.571519 -0.308560 0.050562 -0.071206 -0.273610 30O 1dz2 -0.004873 0.001772 -0.003733 0.000028 -0.002137 -0.002517 30O 1dxz 0.003502 -0.004231 -0.002713 0.000972 0.001624 0.002847 30O 1dyz -0.002174 -0.009266 0.007788 0.005325 -0.005753 -0.010635 30O 1dx2y2 -0.004246 -0.005891 -0.001628 0.004213 -0.009709 -0.003558 30O 1dxy -0.004830 0.008105 -0.000931 0.003294 -0.003028 -0.003028 30O 2dz2 -0.228053 0.078457 0.039406 0.032119 -0.172742 -0.146817 30O 2dxz 0.164890 -0.224866 0.014506 0.056271 0.003041 0.010795 30O 2dyz 0.142446 -0.132511 0.094115 0.004244 -0.027885 -0.081965 30O 2dx2y2 0.155420 0.063545 -0.134960 -0.070779 -0.146064 -0.005671 30O 2dxy -0.291865 0.258640 -0.113145 -0.042852 0.050346 -0.013459 30O 1f0 0.004520 -0.005741 0.001686 0.001646 -0.001641 0.001179 30O 1f+1 0.002141 -0.004613 0.001386 0.001048 0.000189 -0.002880 30O 1f-1 0.000122 -0.003978 -0.000013 0.002351 0.004714 0.003361 30O 1f+2 0.002717 -0.003092 0.000356 -0.001503 0.008546 0.009599 30O 1f-2 -0.004296 0.014640 -0.002615 -0.010787 0.000028 0.008465 30O 1f+3 0.002917 -0.006096 0.004794 0.007442 -0.008791 -0.007407 30O 1f-3 -0.006096 0.010760 -0.000293 -0.005760 0.001857 -0.001964 31O 1s -0.005405 -0.001121 0.003507 0.001734 0.001698 0.000691 31O 2s -0.014411 -0.005738 0.011115 0.008340 0.004219 -0.000260 31O 3s 0.019939 0.055540 -0.060114 -0.098837 -0.012290 0.041089 31O 4s 0.354457 -0.117783 0.006202 0.347081 -0.019962 -0.267775 31O 5s -0.143510 0.224530 0.590304 -0.276843 0.174890 0.267543 31O 1pz 0.050997 0.036492 -0.033772 -0.001585 -0.124531 -0.101058 31O 1px 0.063657 -0.079996 -0.018015 0.061303 -0.048151 -0.080528 31O 1py -0.067389 0.012281 0.026144 -0.017945 -0.039782 0.013003 31O 2pz 0.019013 -0.040673 0.086175 0.047318 0.174995 0.107106 31O 2px -0.144327 0.069121 -0.021512 -0.137318 0.022786 0.133941 31O 2py 0.024038 0.040812 -0.067482 0.010534 -0.036257 -0.029331 31O 3pz 0.282138 0.426832 -0.266099 -0.040903 -0.197221 -0.275953 31O 3px 0.266668 -0.337062 -0.355509 0.135073 -0.115992 -0.088782 31O 3py -0.427504 -0.650486 0.109684 -0.057807 -0.010878 0.231014 31O 1dz2 0.004742 0.003697 0.001839 -0.000011 -0.001562 -0.002198 31O 1dxz -0.003278 -0.001884 0.004859 0.000936 0.001415 0.002821 31O 1dyz 0.002547 -0.011989 -0.000567 0.005316 -0.005785 -0.010631 31O 1dx2y2 0.004335 -0.003682 0.004687 0.004103 -0.009537 -0.003301 31O 1dxy 0.004624 0.007269 -0.004264 0.003377 -0.002485 -0.002789 31O 2dz2 0.223933 0.043813 -0.083887 0.032025 -0.146078 -0.134940 31O 2dxz -0.152186 -0.192366 0.127601 0.056916 -0.010473 0.005656 31O 2dyz -0.132416 -0.166175 0.010013 0.007859 -0.026757 -0.083735 31O 2dx2y2 -0.158487 0.124981 0.073141 -0.069455 -0.136164 0.003772 31O 2dxy 0.278977 0.283525 -0.069815 -0.043749 0.065784 -0.006394 31O 1f0 0.004382 0.005906 -0.002229 -0.001714 0.001316 -0.001591 31O 1f+1 0.002056 0.004599 -0.001669 -0.001143 -0.000214 0.002922 31O 1f-1 -0.000044 0.003158 -0.002426 -0.002330 -0.004468 -0.002994 31O 1f+2 0.002459 0.002738 -0.001677 0.001565 -0.007540 -0.008808 31O 1f-2 -0.003916 -0.013573 0.006921 0.010830 0.000015 -0.008365 31O 1f+3 0.002646 0.007871 0.000126 -0.007575 0.008761 0.007463 31O 1f-3 -0.005860 -0.009107 0.006268 0.005768 -0.001624 0.002263 32O 1s -0.007769 0.000120 0.000816 -0.007096 0.001551 0.001782 32O 2s -0.025876 0.002514 0.002413 -0.024329 0.005836 0.005582 32O 3s 0.167971 -0.068624 -0.012345 0.179476 -0.056054 -0.029838 32O 4s -0.244658 0.302058 -0.010487 -0.306414 0.140391 -0.021648 32O 5s -0.034696 -0.265387 0.113553 -0.165745 0.005022 0.240561 32O 1pz -0.043865 -0.096743 0.117341 0.088986 0.068529 -0.025712 32O 1px -0.077821 0.002888 -0.003828 0.014344 0.031618 -0.007690 32O 1py 0.040445 -0.011736 -0.001617 -0.014062 -0.010571 0.019707 32O 2pz 0.200955 0.272034 -0.226171 -0.376208 -0.225786 0.020344 32O 2px 0.188011 0.003124 -0.056146 -0.025347 -0.123336 -0.024469 32O 2py -0.080822 0.083431 0.027307 -0.046027 0.059913 -0.013122 32O 3pz 0.068172 -0.095177 -0.124324 0.050897 0.053813 -0.090629 32O 3px -0.096637 -0.140273 0.022970 -0.113622 0.016811 0.118678 32O 3py -0.126245 0.031230 -0.033058 -0.112595 0.058778 0.021464 32O 1dz2 -0.001549 0.000541 0.001788 0.005060 0.001415 -0.000494 32O 1dxz 0.005300 -0.001953 -0.004821 -0.002105 -0.001736 -0.003153 32O 1dyz -0.001146 -0.003885 0.002011 0.004980 0.001969 -0.000261 32O 1dx2y2 -0.000911 -0.000444 0.000905 -0.003587 -0.000205 0.001040 32O 1dxy -0.006719 0.000574 -0.001332 -0.002662 0.002597 0.001013 32O 2dz2 -0.076879 0.054857 0.037296 0.040388 -0.010595 0.011898 32O 2dxz -0.012512 -0.094837 -0.126018 -0.051977 -0.007459 -0.026338 32O 2dyz 0.103090 -0.077056 -0.041895 -0.058821 -0.029292 -0.030968 32O 2dx2y2 0.044820 -0.104902 0.003531 -0.008609 -0.026183 0.052423 32O 2dxy -0.112637 -0.005829 -0.068584 -0.064255 0.003801 -0.000626 32O 1f0 -0.003972 0.008703 -0.000590 -0.012627 0.003429 -0.000999 32O 1f+1 0.005432 -0.004316 -0.000531 0.001340 -0.004300 -0.001267 32O 1f-1 0.003104 0.016010 -0.004619 -0.023861 -0.002354 -0.000282 32O 1f+2 -0.001024 -0.005157 0.002693 0.008924 0.000884 0.001267 32O 1f-2 -0.016674 -0.000376 0.008495 0.010806 0.016277 0.001807 32O 1f+3 0.003388 0.001575 -0.001813 -0.003047 -0.003148 -0.001292 32O 1f-3 0.006003 0.003009 -0.006226 -0.009327 -0.006134 -0.000889 33O 1s 0.000746 0.000707 0.005235 -0.000602 -0.001635 0.000405 33O 2s 0.001387 0.000500 0.015038 -0.005518 -0.002968 -0.000640 33O 3s 0.003888 0.023958 -0.034944 0.099982 -0.021493 0.043350 33O 4s -0.080615 -0.160876 -0.303325 -0.424169 0.235269 -0.262159 33O 5s 0.648690 0.094479 -0.020157 0.075961 -0.049402 0.004000 33O 1pz -0.037200 -0.012155 -0.061502 -0.026500 -0.028631 0.013380 33O 1px -0.037080 -0.048232 -0.030767 -0.130020 -0.015668 -0.014237 33O 1py -0.026861 -0.000624 -0.094312 -0.015924 0.138180 -0.132890 33O 2pz 0.039304 -0.043352 -0.009222 -0.087604 0.077356 0.019574 33O 2px 0.003392 0.095467 0.115038 0.243246 -0.054532 0.072479 33O 2py 0.011253 -0.034334 0.085987 0.002799 -0.147896 0.152848 33O 3pz 0.347210 0.248943 -0.627266 0.103402 0.112365 -0.486158 33O 3px -0.265329 -0.295893 -0.078740 -0.243126 -0.114736 0.056378 33O 3py -0.123033 0.163998 -0.479348 0.009288 0.239151 -0.424265 33O 1dz2 -0.000707 0.005546 0.001670 0.005303 -0.005497 0.006192 33O 1dxz -0.002607 -0.003923 0.007682 -0.006980 0.002749 0.006009 33O 1dyz 0.003309 0.005151 0.003665 0.007979 -0.006424 0.006685 33O 1dx2y2 -0.002008 0.002028 -0.003845 -0.003066 0.000963 -0.001853 33O 1dxy 0.000902 -0.003176 0.004707 -0.002384 -0.002252 0.001115 33O 2dz2 -0.027299 0.010648 -0.191204 -0.121241 -0.149405 0.066749 33O 2dxz -0.068944 -0.095450 0.400753 -0.216340 -0.005536 0.092541 33O 2dyz -0.039395 0.030970 -0.037301 -0.014000 0.005486 -0.017729 33O 2dx2y2 0.024451 0.116644 0.038233 0.132658 -0.054095 0.057615 33O 2dxy 0.126361 0.011072 0.318850 -0.010358 -0.099716 0.131418 33O 1f0 0.000377 0.001905 -0.004715 0.007138 0.004158 -0.003369 33O 1f+1 -0.001276 0.008327 -0.010921 0.013478 -0.005281 0.003953 33O 1f-1 0.000084 0.000292 0.003635 -0.001361 -0.006517 0.009016 33O 1f+2 0.002344 -0.004995 0.006932 -0.016446 0.005472 -0.003648 33O 1f-2 0.001182 0.003194 -0.002072 0.007108 -0.001923 0.003934 33O 1f+3 0.000039 -0.000745 0.000003 -0.001674 0.007741 -0.002780 33O 1f-3 -0.001688 0.000691 -0.004501 0.006073 -0.002360 0.003018 34O 1s -0.004070 -0.002041 0.001232 0.003488 -0.001207 -0.001962 34O 2s -0.012047 -0.004263 0.002118 0.009858 -0.002194 -0.002820 34O 3s 0.044559 -0.001418 0.022349 -0.042212 -0.015719 -0.045772 34O 4s 0.106122 0.132403 -0.219833 -0.053965 0.160674 0.363741 34O 5s -0.383352 -0.728746 -0.060149 0.201930 -0.340526 -0.066109 34O 1pz 0.050072 0.019659 0.012129 -0.030918 0.128654 0.085859 34O 1px -0.028443 -0.048642 0.025315 -0.005027 -0.013860 0.004081 34O 1py -0.139197 -0.061706 0.055745 0.050402 0.003247 0.013693 34O 2pz -0.058875 -0.016426 0.001328 0.030934 -0.126647 -0.126973 34O 2px -0.019309 -0.034711 -0.120893 0.022462 -0.012931 0.134213 34O 2py 0.130050 0.053946 -0.010667 -0.080318 0.056116 -0.013404 34O 3pz 0.468139 0.155228 -0.144136 -0.060143 0.429114 0.223365 34O 3px -0.227420 -0.079542 -0.102361 -0.019694 0.002541 0.058646 34O 3py -0.775652 -0.356311 0.086670 0.235883 -0.119534 0.023925 34O 1dz2 -0.001287 0.004978 0.001218 -0.007288 -0.000848 -0.000126 34O 1dxz 0.000278 -0.003198 0.002981 0.003066 -0.003348 -0.002307 34O 1dyz 0.010353 0.008041 -0.005300 -0.005119 0.004861 0.006781 34O 1dx2y2 0.008346 0.001517 0.001837 -0.002405 0.004521 0.000641 34O 1dxy -0.001967 0.008896 -0.004011 -0.005225 0.005653 0.009684 34O 2dz2 -0.054828 0.134308 0.036244 -0.134762 -0.029718 0.001300 34O 2dxz 0.174776 -0.043600 -0.025787 0.037005 0.191932 0.078064 34O 2dyz 0.234465 0.147106 -0.099101 -0.104244 0.021074 0.047787 34O 2dx2y2 0.031720 -0.107333 0.021640 -0.023647 -0.000188 0.017474 34O 2dxy -0.392420 0.025166 0.039215 -0.088352 0.084120 0.153857 34O 1f0 0.002854 -0.001324 -0.001790 -0.005070 0.001045 0.003968 34O 1f+1 0.006739 -0.004021 0.003876 0.002202 -0.000613 -0.007490 34O 1f-1 0.000782 0.002871 -0.000049 0.001298 0.001306 0.002937 34O 1f+2 0.002406 0.002993 -0.000313 -0.002521 0.004327 0.002038 34O 1f-2 0.000263 0.000182 0.001353 -0.004660 0.003608 0.005109 34O 1f+3 0.003648 -0.001716 0.002889 0.002928 -0.004332 -0.010028 34O 1f-3 -0.005138 0.005378 -0.000993 -0.002508 0.003106 0.009665 35O 1s 0.002458 0.001976 0.005391 -0.003634 -0.000627 -0.003164 35O 2s 0.006178 0.008398 0.014412 -0.010078 -0.004055 -0.007596 35O 3s -0.001146 -0.074286 -0.030733 0.049927 0.059043 0.008437 35O 4s -0.208507 0.198353 -0.259106 -0.000787 -0.237120 0.173736 35O 5s -0.073071 -0.231677 0.539473 -0.581251 0.028585 -0.378404 35O 1pz -0.025589 0.025144 -0.169883 0.061518 0.028009 -0.003738 35O 1px 0.004068 -0.011023 0.038354 -0.023576 0.045774 -0.034563 35O 1py 0.000421 -0.003837 -0.033235 -0.012913 -0.095274 0.099961 35O 2pz 0.021442 -0.018391 0.167175 -0.091206 -0.011386 -0.074201 35O 2px -0.098050 0.033417 -0.008742 -0.074864 -0.128532 0.033401 35O 2py 0.006729 0.035131 0.038999 -0.065097 0.058223 -0.125704 35O 3pz -0.250166 -0.031225 -1.010001 0.277323 0.148846 -0.027816 35O 3px 0.039346 0.101756 0.227551 -0.106276 0.040705 -0.253636 35O 3py -0.388800 -0.114208 -0.340850 0.016924 -0.267694 0.171494 35O 1dz2 -0.004787 -0.000925 0.011694 -0.003297 -0.003175 -0.003587 35O 1dxz -0.002863 -0.003241 -0.003204 -0.005896 0.001838 -0.007603 35O 1dyz 0.006126 -0.003852 0.010384 -0.012828 0.008135 -0.007379 35O 1dx2y2 -0.004204 -0.000237 -0.000907 0.000235 -0.001102 0.001353 35O 1dxy -0.000008 -0.007740 -0.000303 -0.007085 0.000214 -0.004256 35O 2dz2 -0.038458 0.016782 0.180012 -0.009294 -0.053622 0.010059 35O 2dxz -0.115986 -0.071908 -0.477795 -0.058803 0.088847 -0.188704 35O 2dyz 0.130274 -0.028046 0.049643 -0.182551 0.107067 -0.126835 35O 2dx2y2 -0.021688 -0.041725 0.116017 -0.034635 0.109422 -0.116972 35O 2dxy -0.083352 -0.143344 -0.103100 -0.231482 -0.126893 -0.013369 35O 1f0 -0.002320 -0.004204 -0.000467 -0.000901 0.001266 -0.003062 35O 1f+1 0.001249 -0.002283 -0.006601 -0.001755 0.004383 -0.009004 35O 1f-1 0.000377 -0.002082 0.003107 -0.005690 0.007035 -0.006909 35O 1f+2 0.000420 0.002936 -0.000339 0.004648 -0.003695 0.004888 35O 1f-2 0.001919 0.002969 0.001246 -0.002080 -0.002789 -0.003503 35O 1f+3 0.005197 -0.001095 -0.001703 -0.001171 -0.000944 -0.004411 35O 1f-3 0.001154 -0.008018 -0.005449 -0.003498 0.006256 -0.003389 420 421 422 423 424 425 2.31970 2.33372 2.33912 2.34585 2.34707 2.35352 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s -0.000126 0.001915 -0.000460 -0.000309 0.000130 -0.000196 0Rh 2s 0.000933 -0.013333 0.003770 0.004614 -0.000570 0.001389 0Rh 3s -0.000175 0.003163 -0.000417 0.000986 0.000421 -0.000312 0Rh 4s -0.004807 0.068100 -0.019324 -0.024053 0.002814 -0.007114 0Rh 5s 0.009546 -0.123539 0.037902 0.060251 -0.002299 0.013291 0Rh 6s -0.009069 0.061700 -0.030256 -0.118610 -0.014344 -0.010264 0Rh 7s 0.047965 -0.138631 0.135324 1.288133 0.182539 0.106547 0Rh 8s -0.074910 0.488294 -0.176010 -0.493235 0.099923 -0.063974 0Rh 1pz 0.003060 -0.006247 0.002032 -0.006643 0.000059 0.001260 0Rh 1px -0.001843 0.017258 -0.008648 0.007294 0.001088 0.000247 0Rh 1py -0.001842 0.004190 0.000035 0.001376 0.000741 0.002523 0Rh 2pz -0.011275 0.022651 -0.008229 0.023275 -0.000080 -0.004435 0Rh 2px 0.006719 -0.062791 0.031053 -0.025407 -0.003899 -0.000795 0Rh 2py 0.006032 -0.015157 0.000582 -0.005015 -0.001983 -0.008948 0Rh 3pz 0.017414 -0.027227 0.027853 -0.011557 -0.002697 0.002532 0Rh 3px -0.008858 0.079879 -0.031002 0.009553 0.003933 -0.001113 0Rh 3py 0.006181 0.017678 -0.015441 0.006578 -0.012559 0.006765 0Rh 4pz 0.006157 -0.046393 -0.059474 -0.114763 0.012249 0.020591 0Rh 4px -0.010433 0.109595 -0.090113 0.140886 0.010787 0.010852 0Rh 4py -0.068831 0.032700 0.060875 0.009419 0.068855 0.033829 0Rh 5pz -0.009586 0.089950 0.120302 0.224727 -0.025622 -0.038459 0Rh 5px 0.022287 -0.211215 0.175501 -0.306000 -0.022906 -0.027537 0Rh 5py 0.135013 -0.063144 -0.120988 -0.032090 -0.144474 -0.060958 0Rh 6pz -0.349540 0.132514 -0.069166 -0.162525 -0.003014 -0.011523 0Rh 6px -0.142328 -0.299329 0.126418 0.850195 0.057900 0.134072 0Rh 6py -0.067684 -0.151214 0.116413 0.214264 0.080864 -0.078936 0Rh 1dz2 -0.002452 -0.008651 0.002377 -0.001666 -0.012092 0.006173 0Rh 1dxz -0.001489 -0.012864 0.014316 -0.001126 -0.008196 0.000260 0Rh 1dyz 0.010595 -0.002675 -0.007289 -0.003137 0.009960 0.005552 0Rh 1dx2y2 -0.007367 0.022548 -0.003529 0.006053 -0.003999 0.006488 0Rh 1dxy 0.004722 0.007398 -0.010349 0.000068 -0.008523 0.000473 0Rh 2dz2 -0.002239 0.001940 -0.001100 0.000429 0.001391 0.003014 0Rh 2dxz 0.001193 0.002422 -0.000552 0.002309 0.000771 0.001226 0Rh 2dyz -0.007385 0.001139 0.003612 -0.000838 -0.001050 0.000082 0Rh 2dx2y2 -0.000200 -0.003570 0.003017 -0.003761 0.000163 0.001032 0Rh 2dxy -0.001594 -0.001500 0.000866 -0.001398 -0.001881 0.000345 0Rh 3dz2 0.016983 0.014774 -0.001936 0.002843 0.027010 -0.029904 0Rh 3dxz -0.001174 0.024214 -0.036371 -0.006899 0.019005 -0.006007 0Rh 3dyz 0.004662 0.002225 0.003295 0.012438 -0.022436 -0.015599 0Rh 3dx2y2 0.021105 -0.045317 -0.003964 -0.000287 0.010415 -0.022162 0Rh 3dxy -0.005377 -0.013476 0.023973 0.005896 0.031492 -0.002813 0Rh 4dz2 -0.038419 0.030441 -0.010189 0.002517 0.016841 0.037803 0Rh 4dxz 0.016434 0.037199 -0.011994 0.028501 0.010456 0.015267 0Rh 4dyz -0.116592 0.016294 0.061533 -0.014366 -0.016063 0.001910 0Rh 4dx2y2 -0.005974 -0.056211 0.047652 -0.045872 -0.000740 0.012578 0Rh 4dxy -0.028635 -0.022871 0.019085 -0.017921 -0.025258 0.004448 0Rh 5dz2 0.188530 -0.198503 -0.000955 0.032514 -0.091642 -0.055182 0Rh 5dxz -0.065410 -0.257457 0.164666 -0.044976 -0.068933 -0.032121 0Rh 5dyz 0.548479 -0.069767 -0.367841 0.057030 0.106165 0.032170 0Rh 5dx2y2 0.009387 0.411320 -0.260140 0.087580 0.008584 0.003835 0Rh 5dxy 0.166280 0.156268 -0.191721 0.030452 0.027205 -0.005371 0Rh 1f0 0.041243 -0.144469 0.103207 0.136114 0.006782 0.023293 0Rh 1f+1 -0.054567 0.142598 -0.052728 -0.079730 -0.003631 -0.040008 0Rh 1f-1 0.018943 0.062419 -0.038781 0.048274 0.067376 -0.034142 0Rh 1f+2 0.054331 0.229055 -0.071017 -0.191885 -0.033110 -0.009424 0Rh 1f-2 -0.086860 0.083793 0.078486 -0.046629 0.012700 -0.054895 0Rh 1f+3 -0.023934 0.267479 -0.173210 -0.168457 -0.054581 -0.000704 0Rh 1f-3 -0.008671 0.134734 -0.083585 -0.137728 0.034642 -0.013761 1Rh 1s 0.000037 -0.001904 0.000458 -0.000218 -0.000215 -0.000184 1Rh 2s -0.000442 0.013315 -0.003655 0.003993 0.001746 0.001299 1Rh 3s -0.000050 -0.003109 0.000476 0.001144 -0.000205 -0.000295 1Rh 4s 0.002321 -0.068015 0.018718 -0.020891 -0.008942 -0.006656 1Rh 5s -0.005815 0.123722 -0.036178 0.054726 0.017466 0.012454 1Rh 6s 0.010797 -0.063367 0.026234 -0.117097 -0.015125 -0.009879 1Rh 7s -0.081955 0.154180 -0.093269 1.289608 0.142861 0.105749 1Rh 8s 0.070540 -0.493368 0.159918 -0.437547 -0.219526 -0.056015 1Rh 1pz 0.001572 -0.006168 0.002345 0.006618 0.001447 -0.001261 1Rh 1px -0.002344 0.017176 -0.008883 -0.007619 -0.000742 -0.000364 1Rh 1py -0.000849 0.004179 0.000007 -0.001648 -0.000064 -0.002558 1Rh 2pz -0.006020 0.022374 -0.009324 -0.023198 -0.004937 0.004413 1Rh 2px 0.008495 -0.062510 0.031870 0.026627 0.002483 0.001216 1Rh 2py 0.002566 -0.015111 0.000690 0.005796 0.000873 0.009039 1Rh 3pz 0.013909 -0.027055 0.028367 0.011734 -0.000423 -0.001981 1Rh 3px -0.010144 0.079826 -0.031239 -0.011904 0.001343 0.000642 1Rh 3py 0.007647 0.017472 -0.015650 -0.003147 -0.014671 -0.006131 1Rh 4pz -0.016098 -0.045187 -0.053974 0.113500 0.036810 -0.022834 1Rh 4px -0.017318 0.107843 -0.094915 -0.139538 -0.023871 -0.011871 1Rh 4py -0.050992 0.033123 0.060864 -0.029881 0.057295 -0.037180 1Rh 5pz 0.033940 0.087702 0.109727 -0.222011 -0.074257 0.043344 1Rh 5px 0.033775 -0.207636 0.185680 0.302552 0.053008 0.029548 1Rh 5py 0.103117 -0.063198 -0.120093 0.074473 -0.119498 0.067756 1Rh 6pz -0.359214 0.128934 -0.060444 0.167877 0.047673 0.003061 1Rh 6px -0.108999 -0.308562 0.100537 -0.826422 -0.159659 -0.132535 1Rh 6py -0.115712 -0.162526 0.106659 -0.236007 0.045816 0.071037 1Rh 1dz2 0.003852 0.008688 -0.002645 -0.004881 0.011529 0.005727 1Rh 1dxz 0.000099 0.012744 -0.014226 -0.003004 0.007562 -0.000358 1Rh 1dyz -0.010388 0.002478 0.006846 -0.001511 -0.009717 0.005574 1Rh 1dx2y2 0.005928 -0.022571 0.003532 0.005667 0.006092 0.006426 1Rh 1dxy -0.002786 -0.007449 0.010466 -0.002207 0.008031 -0.000054 1Rh 2dz2 0.002338 -0.002017 0.001022 0.000814 -0.000951 0.003088 1Rh 2dxz -0.001163 -0.002408 0.000602 0.002516 -0.000119 0.001247 1Rh 2dyz 0.006881 -0.001223 -0.003689 -0.000775 0.001006 0.000072 1Rh 2dx2y2 0.000419 0.003508 -0.003154 -0.003646 -0.001030 0.001021 1Rh 2dxy 0.001531 0.001460 -0.000939 -0.001809 0.001535 0.000254 1Rh 3dz2 -0.021174 -0.014533 0.003013 0.009907 -0.027358 -0.029021 1Rh 3dxz 0.004808 -0.023952 0.035911 -0.002684 -0.020096 -0.004417 1Rh 3dyz -0.002984 -0.001308 -0.001736 0.007686 0.021992 -0.015630 1Rh 3dx2y2 -0.018140 0.045648 0.004547 0.000324 -0.012376 -0.021933 1Rh 3dxy 0.000435 0.013793 -0.023970 0.013883 -0.028656 -0.000982 1Rh 4dz2 0.039175 -0.031559 0.009053 0.007991 -0.011748 0.038958 1Rh 4dxz -0.015877 -0.037023 0.012594 0.031471 -0.002335 0.015650 1Rh 4dyz 0.109237 -0.017598 -0.062770 -0.012744 0.015090 0.002106 1Rh 4dx2y2 0.008579 0.055457 -0.049314 -0.045230 -0.009924 0.012295 1Rh 4dxy 0.027290 0.022306 -0.020098 -0.023124 0.020955 0.003346 1Rh 5dz2 -0.181500 0.202764 0.004464 -0.003928 0.085602 -0.063128 1Rh 5dxz 0.056935 0.256728 -0.164683 -0.065696 0.053187 -0.037717 1Rh 5dyz -0.522554 0.073621 0.370962 0.048516 -0.097623 0.026504 1Rh 5dx2y2 -0.021552 -0.410233 0.262381 0.093696 0.015438 0.005512 1Rh 5dxy -0.151087 -0.154972 0.195250 0.030676 -0.023643 -0.006432 1Rh 1f0 0.032079 -0.148023 0.097593 -0.130109 -0.024459 -0.022824 1Rh 1f+1 -0.043112 0.143066 -0.052075 0.073933 0.020243 0.035880 1Rh 1f-1 0.001905 0.059027 -0.043985 -0.062184 0.061132 0.031258 1Rh 1f+2 0.027054 0.229221 -0.065438 0.189514 0.015834 0.010527 1Rh 1f-2 -0.101574 0.082634 0.077481 0.031736 0.031121 0.051640 1Rh 1f+3 -0.020387 0.270276 -0.167937 0.174574 -0.012806 0.000347 1Rh 1f-3 -0.022476 0.136681 -0.079252 0.122978 0.068648 0.011511 2C 1s 0.000674 0.000422 -0.001581 0.003419 0.002049 0.002906 2C 2s -0.004623 0.003109 -0.005375 0.013378 0.009578 0.007558 2C 3s 0.000944 -0.012398 -0.002096 0.007187 -0.010956 -0.066313 2C 4s 0.205841 -0.029986 0.289420 -0.637824 -0.426246 0.012256 2C 5s 0.653927 -0.610985 -0.041287 -0.497930 -0.478017 -0.048488 2C 1pz -0.043691 -0.049036 -0.047409 0.064805 0.080667 0.016061 2C 1px -0.123963 0.070298 -0.032484 0.052468 0.093407 0.020492 2C 1py 0.016110 0.098948 0.086965 -0.047230 -0.112962 -0.118652 2C 2pz 0.078268 0.089559 0.275176 -0.604562 -0.477812 0.144922 2C 2px 0.038823 0.021662 -0.065085 -0.169883 -0.086099 0.173850 2C 2py -0.059478 -0.212509 0.024757 -0.163437 0.101770 -0.442127 2C 3pz 0.155334 -0.150766 -0.012137 -0.076963 -0.075378 0.087123 2C 3px -0.087324 0.069678 -0.134061 0.178798 0.182388 0.063183 2C 3py 0.106698 -0.030122 0.091256 -0.094151 -0.160417 -0.213069 2C 1dz2 0.024462 0.022013 0.020397 -0.019147 -0.055096 0.060752 2C 1dxz 0.057273 0.012589 0.005888 -0.064536 -0.057231 0.053687 2C 1dyz 0.005157 -0.003954 0.001891 0.014792 0.010309 -0.024581 2C 1dx2y2 -0.021657 0.051158 0.024810 -0.029390 -0.049750 0.029777 2C 1dxy 0.010604 -0.049187 -0.043834 0.005975 0.053341 0.022717 2C 2dz2 0.034841 -0.180679 -0.097489 -0.041838 0.168791 0.201818 2C 2dxz -0.121221 -0.005755 0.094719 0.109721 0.009718 -0.432799 2C 2dyz -0.024411 0.107522 0.118420 -0.252152 -0.178679 -0.169890 2C 2dx2y2 -0.119122 0.001560 -0.192085 0.123847 0.324457 0.095168 2C 2dxy -0.174846 0.066755 -0.069434 0.017195 0.026280 0.501528 2C 1f0 -0.011762 0.091323 0.048449 -0.038290 -0.078708 -0.015588 2C 1f+1 -0.042925 -0.020799 -0.064381 0.043046 0.091052 0.088499 2C 1f-1 0.042946 -0.041935 0.005154 -0.031058 -0.016783 0.016974 2C 1f+2 0.013582 -0.021183 -0.004963 -0.011946 -0.013065 0.044636 2C 1f-2 0.086801 -0.004989 0.033976 -0.073203 -0.087969 -0.019657 2C 1f+3 -0.036284 0.063550 0.048278 -0.025386 -0.056148 -0.080083 2C 1f-3 -0.082505 0.030794 -0.027159 0.054462 0.071978 0.000739 3C 1s 0.001368 0.000162 -0.002144 0.005177 -0.001380 -0.002928 3C 2s 0.005630 0.000824 -0.013926 0.019038 -0.007194 -0.006938 3C 3s -0.084266 -0.010844 0.020153 -0.058315 0.052639 0.100761 3C 4s 0.234485 0.057840 0.539423 -0.564542 0.055448 -0.268056 3C 5s -0.618671 -0.030283 1.293788 -0.659823 0.381350 0.108167 3C 1pz 0.016913 0.041172 0.125200 -0.124029 0.102975 0.081250 3C 1px 0.040113 0.095207 -0.091542 0.008868 0.011392 0.049098 3C 1py 0.057914 0.054880 0.104483 -0.071621 0.059452 -0.014409 3C 2pz -0.137574 -0.068245 0.101672 -0.273972 0.011837 0.386592 3C 2px 0.060614 -0.126883 0.149706 -0.162495 -0.017767 0.044567 3C 2py -0.153349 -0.143006 -0.356586 0.523379 -0.070613 0.360974 3C 3pz -0.079184 0.023231 0.384422 -0.304115 0.201664 0.157692 3C 3px -0.016069 0.060681 -0.057032 0.022458 0.024828 0.108645 3C 3py 0.091429 0.028956 -0.188204 0.011209 0.004127 0.072485 3C 1dz2 0.005198 0.003215 -0.029361 -0.001571 0.006470 0.070184 3C 1dxz -0.044519 -0.056547 0.030887 0.017581 -0.029406 0.017791 3C 1dyz 0.006757 0.009083 0.027183 -0.023299 0.008105 -0.036008 3C 1dx2y2 -0.036209 -0.030194 -0.038975 0.019525 -0.035367 0.063913 3C 1dxy -0.005604 -0.007700 -0.051563 0.016690 -0.012353 0.030922 3C 2dz2 -0.010346 0.091375 0.309305 -0.267026 0.293030 0.414465 3C 2dxz 0.088624 0.037256 0.056997 -0.144870 0.154021 -0.068296 3C 2dyz -0.032346 -0.045398 -0.109391 0.121708 0.020558 0.247592 3C 2dx2y2 0.147252 0.082904 -0.159777 0.155140 0.018792 -0.247690 3C 2dxy -0.109823 -0.082188 0.019736 0.183362 -0.133539 -0.332832 3C 1f0 -0.032340 -0.050742 -0.069227 0.093415 -0.078553 -0.049422 3C 1f+1 0.033623 0.024167 -0.079172 0.036810 -0.013231 0.021789 3C 1f-1 0.037687 0.035975 0.078734 -0.054626 0.056113 -0.040293 3C 1f+2 0.021867 0.011675 -0.093822 0.055240 -0.031314 0.017947 3C 1f-2 -0.017463 -0.015433 -0.015116 0.020261 -0.018236 -0.023321 3C 1f+3 -0.047486 -0.071110 -0.022054 0.058704 -0.081733 -0.065103 3C 1f-3 -0.049482 -0.041589 0.117063 -0.048693 0.024001 0.020850 4C 1s -0.002349 -0.001037 -0.003512 0.008561 0.006233 0.000134 4C 2s -0.010797 -0.002332 -0.011874 0.030442 0.022637 -0.001740 4C 3s 0.172760 0.027913 0.068150 -0.334328 -0.174595 0.051135 4C 4s -0.509147 -0.112511 0.024742 0.518646 0.117144 0.007608 4C 5s -0.855340 0.231068 0.129901 0.267139 0.020565 0.113328 4C 1pz 0.064420 0.010101 0.010651 -0.065568 -0.051599 0.041069 4C 1px 0.089263 -0.037166 0.004855 -0.042645 -0.042084 -0.000390 4C 1py 0.055711 -0.040471 -0.018749 -0.030798 -0.010445 0.026668 4C 2pz -0.098414 0.020357 0.253385 -0.308001 -0.233087 -0.209440 4C 2px -0.262858 -0.145913 -0.048370 0.063799 -0.049864 0.007492 4C 2py -0.157990 -0.020744 0.149696 -0.175592 -0.115768 0.001165 4C 3pz 0.103651 -0.177157 -0.070659 0.138388 -0.187306 -0.012265 4C 3px -0.196071 -0.195860 0.221527 0.001778 -0.151924 -0.056343 4C 3py -0.067576 -0.324049 -0.080340 0.230215 0.061413 0.056010 4C 1dz2 0.021042 0.011462 0.035994 -0.020498 -0.041038 -0.080393 4C 1dxz 0.060241 -0.013597 0.036366 -0.030811 -0.033947 -0.031151 4C 1dyz 0.035482 -0.008709 -0.017997 -0.010831 0.002725 0.063871 4C 1dx2y2 -0.023387 0.021457 0.018932 0.024808 0.020673 -0.078751 4C 1dxy 0.003232 -0.027236 0.005298 0.015284 -0.000747 0.000255 4C 2dz2 0.065287 0.017066 -0.190509 0.281938 0.318859 0.269764 4C 2dxz -0.185060 0.065240 -0.158369 0.301697 0.109690 0.213666 4C 2dyz -0.143932 0.049383 -0.085078 0.416392 0.185274 -0.015484 4C 2dx2y2 -0.015691 0.048629 0.202489 -0.319609 -0.393006 0.038455 4C 2dxy -0.104922 -0.126021 -0.090307 0.174782 0.156336 -0.163933 4C 1f0 0.010252 0.014931 0.006896 -0.016356 -0.021516 0.072747 4C 1f+1 -0.025598 0.025288 -0.001990 -0.012505 -0.000230 0.046297 4C 1f-1 0.015109 -0.003892 0.007161 -0.023254 -0.015210 0.008381 4C 1f+2 0.023847 0.015124 0.012398 -0.035960 -0.045746 0.079391 4C 1f-2 0.001894 0.017416 -0.021139 -0.018793 0.005303 0.026670 4C 1f+3 0.010900 -0.005401 -0.001351 -0.008960 0.020766 -0.022871 4C 1f-3 -0.011385 -0.013126 -0.012590 0.012808 0.033638 -0.012011 5C 1s 0.003669 -0.001296 -0.008230 0.007257 -0.002916 0.000933 5C 2s 0.011609 -0.004309 -0.031367 0.024772 -0.010283 0.006104 5C 3s -0.007716 0.025026 0.290594 -0.245953 0.000074 -0.143853 5C 4s -0.458803 0.043959 -0.363248 0.432290 0.354083 0.307068 5C 5s 0.034579 0.247706 -0.496965 0.565067 -0.141293 -0.065648 5C 1pz -0.031044 -0.001919 0.034154 -0.004012 0.003583 -0.012066 5C 1px -0.059951 -0.019787 0.076702 -0.013770 0.006558 -0.048407 5C 1py 0.022432 -0.016752 -0.105482 0.048481 -0.043871 0.037775 5C 2pz -0.076076 0.109976 -0.020811 -0.154236 0.029791 -0.060314 5C 2px 0.407901 -0.293397 0.236998 -0.186641 0.040238 0.097179 5C 2py 0.020974 -0.090032 -0.089417 0.319982 -0.101778 -0.088237 5C 3pz -0.282179 0.048578 0.159449 0.216310 -0.047603 0.037700 5C 3px 0.204670 -0.176558 0.116877 0.144725 -0.055884 0.000422 5C 3py 0.167717 -0.175420 -0.487995 -0.067787 -0.120029 -0.116033 5C 1dz2 0.005217 0.001419 -0.005871 0.023548 -0.035326 -0.080967 5C 1dxz -0.011654 -0.027946 0.026075 -0.000127 0.008010 -0.056863 5C 1dyz -0.020586 0.006551 -0.000201 -0.027195 0.018341 0.062534 5C 1dx2y2 -0.004926 -0.020019 -0.073340 0.052613 -0.045968 -0.032830 5C 1dxy 0.022298 0.000291 -0.053426 0.023147 -0.001509 0.012664 5C 2dz2 0.026849 0.051975 -0.051488 -0.012905 0.050199 0.004850 5C 2dxz 0.025372 -0.169901 -0.181021 0.317291 -0.199728 0.149309 5C 2dyz 0.116030 -0.019242 0.241156 -0.332800 0.032884 -0.169385 5C 2dx2y2 -0.035727 -0.030642 0.420595 -0.570360 0.284320 0.256103 5C 2dxy -0.356331 0.086729 0.302317 -0.284858 -0.029812 0.018810 5C 1f0 0.018054 0.001318 -0.027538 0.019932 0.001125 -0.002174 5C 1f+1 -0.010178 -0.011696 -0.017686 0.022935 -0.027038 0.021622 5C 1f-1 0.023832 0.022403 0.013561 0.005907 -0.009186 -0.108680 5C 1f+2 -0.005864 0.005765 -0.010166 0.010431 -0.004449 0.010656 5C 1f-2 -0.001650 -0.002045 0.027446 -0.006869 0.018216 -0.039156 5C 1f+3 0.015168 0.010698 -0.022119 0.002459 -0.008508 -0.032541 5C 1f-3 -0.008447 -0.001118 0.014831 -0.010995 0.014351 0.035967 6C 1s -0.003529 0.001334 0.008222 0.005854 0.004762 0.000904 6C 2s -0.011060 0.004392 0.031300 0.019762 0.016790 0.005927 6C 3s 0.015069 -0.025119 -0.290739 -0.221713 -0.067820 -0.141443 6C 4s 0.418058 -0.041499 0.369174 0.480304 -0.243768 0.306219 6C 5s -0.157257 -0.243361 0.540319 0.495581 0.247645 -0.094706 6C 1pz -0.036819 -0.002376 0.034795 0.001090 0.004037 0.010608 6C 1px -0.081295 -0.023489 0.074078 0.008768 0.018055 0.047695 6C 1py 0.022249 -0.017316 -0.106680 -0.031232 -0.056462 -0.034134 6C 2pz -0.050422 0.108869 -0.025395 0.142975 0.076830 0.070528 6C 2px 0.440654 -0.280243 0.251417 0.164842 0.067930 -0.106288 6C 2py -0.012284 -0.092713 -0.089148 -0.283187 -0.182467 0.080395 6C 3pz -0.381853 0.037861 0.157595 -0.199412 -0.108767 -0.044576 6C 3px 0.176990 -0.184536 0.112172 -0.114046 -0.088329 0.000952 6C 3py 0.274366 -0.172682 -0.493515 0.105783 -0.080844 0.130079 6C 1dz2 -0.011968 0.000362 0.007814 0.014900 0.035611 -0.082760 6C 1dxz 0.012091 0.029303 -0.024609 0.002629 -0.011862 -0.057133 6C 1dyz 0.023298 -0.008283 -0.001702 -0.022093 -0.021148 0.062514 6C 1dx2y2 0.005970 0.021293 0.074742 0.035953 0.056295 -0.035887 6C 1dxy -0.020500 0.000291 0.054010 0.020513 0.008496 0.012800 6C 2dz2 -0.026589 -0.051258 0.049910 -0.003009 -0.053801 0.008703 6C 2dxz 0.041482 0.173360 0.186658 0.250714 0.284640 0.155091 6C 2dyz -0.135145 0.014932 -0.248063 -0.302003 -0.118405 -0.166564 6C 2dx2y2 0.031387 0.021207 -0.434799 -0.465534 -0.402518 0.266220 6C 2dxy 0.391561 -0.083916 -0.302555 -0.268329 -0.049067 0.011677 6C 1f0 0.022476 0.001098 -0.027920 -0.018355 -0.004018 0.002416 6C 1f+1 -0.017474 -0.012607 -0.018397 -0.014430 -0.032696 -0.021042 6C 1f-1 0.036006 0.021903 0.011527 -0.005227 -0.003811 0.109127 6C 1f+2 -0.012544 0.005673 -0.010676 -0.008954 -0.006775 -0.010650 6C 1f-2 0.010996 -0.001758 0.027134 0.001278 0.021792 0.039806 6C 1f+3 0.010547 0.010246 -0.022466 0.000229 -0.006734 0.032907 6C 1f-3 -0.018028 -0.001791 0.014782 0.005752 0.015767 -0.036711 7C 1s 0.001792 0.001208 0.003977 0.009672 -0.004129 0.000407 7C 2s 0.008750 0.002977 0.013565 0.034589 -0.015298 -0.000662 7C 3s -0.162679 -0.036963 -0.085919 -0.361626 0.093131 0.041334 7C 4s 0.543188 0.131080 -0.002842 0.506326 0.035004 0.012962 7C 5s 0.918091 -0.234951 -0.155208 0.274974 0.076269 0.117597 7C 1pz 0.055540 0.013270 0.013730 0.077544 -0.039026 -0.036735 7C 1px 0.098412 -0.036262 0.008833 0.052939 -0.031736 0.001759 7C 1py 0.058142 -0.041155 -0.017865 0.035364 -0.004598 -0.025005 7C 2pz -0.099332 0.020352 0.269061 0.333956 -0.142985 0.206488 7C 2px -0.318228 -0.150577 -0.054682 -0.035787 -0.056274 0.009906 7C 2py -0.185470 -0.020644 0.158757 0.195480 -0.068347 -0.002264 7C 3pz 0.176480 -0.173261 -0.086086 -0.069151 -0.207880 0.010909 7C 3px -0.168357 -0.194710 0.226076 0.034153 -0.140380 0.061924 7C 3py -0.010217 -0.335465 -0.098877 -0.219116 0.013182 -0.064556 7C 1dz2 -0.024138 -0.011597 -0.036203 -0.026275 0.030969 -0.084044 7C 1dxz -0.058528 0.012724 -0.037553 -0.036606 0.025153 -0.033271 7C 1dyz -0.031135 0.008179 0.016524 -0.011930 -0.001673 0.063388 7C 1dx2y2 0.015589 -0.021207 -0.017127 0.031567 -0.018294 -0.078189 7C 1dxy -0.003372 0.027791 -0.004064 0.014589 0.003760 0.000725 7C 2dz2 -0.079949 -0.018893 0.196290 0.334725 -0.220541 0.287247 7C 2dxz 0.199691 -0.067584 0.166092 0.308526 -0.025955 0.215337 7C 2dyz 0.131246 -0.046676 0.100518 0.446549 -0.075678 -0.006181 7C 2dx2y2 0.043499 -0.055120 -0.219085 -0.401339 0.308346 0.033403 7C 2dxy 0.102050 0.140387 0.107445 0.204818 -0.130363 -0.163202 7C 1f0 0.002966 0.017841 0.009364 0.021556 -0.020944 -0.072656 7C 1f+1 -0.024767 0.027632 0.000582 0.012682 -0.001578 -0.046871 7C 1f-1 0.015316 -0.002466 0.008209 0.026794 -0.010135 -0.009562 7C 1f+2 0.014139 0.018387 0.016597 0.046648 -0.042599 -0.078274 7C 1f-2 -0.001699 0.018383 -0.019497 0.018002 0.007284 -0.027107 7C 1f+3 0.013026 -0.005963 -0.001485 0.003705 0.023113 0.022494 7C 1f-3 -0.008968 -0.014126 -0.013941 -0.019921 0.030817 0.011277 8C 1s -0.001428 -0.000074 0.002345 0.004567 0.002440 -0.002895 8C 2s -0.005909 -0.000566 0.014626 0.016040 0.011297 -0.007062 8C 3s 0.089172 0.009207 -0.025617 -0.041995 -0.059513 0.101553 8C 4s -0.268982 -0.061396 -0.537937 -0.511631 -0.209604 -0.267589 8C 5s 0.851897 0.036726 -1.338228 -0.505618 -0.511273 0.148537 8C 1pz 0.033367 0.046588 0.128800 0.089291 0.126966 -0.084981 8C 1px 0.059958 0.097209 -0.090863 -0.009997 0.002679 -0.049038 8C 1py 0.073077 0.057342 0.105493 0.049952 0.076241 0.010240 8C 2pz -0.191429 -0.068408 0.109675 0.261486 0.055962 -0.385389 8C 2px -0.015887 -0.129985 0.149368 0.152334 0.023926 -0.050747 8C 2py -0.227002 -0.150172 -0.362592 -0.474124 -0.218017 -0.363925 8C 3pz -0.106769 0.027645 0.394579 0.230835 0.261067 -0.168554 8C 3px -0.043694 0.062383 -0.056121 -0.029204 0.003085 -0.114091 8C 3py 0.136609 0.033190 -0.194137 -0.009842 0.000511 -0.068680 8C 1dz2 -0.002932 -0.003846 0.027225 -0.001799 -0.001746 0.070107 8C 1dxz 0.068923 0.058652 -0.029431 0.011261 0.033288 0.017772 8C 1dyz -0.009321 -0.009493 -0.027313 -0.018753 -0.016481 -0.035632 8C 1dx2y2 0.058088 0.031088 0.038769 0.008446 0.042425 0.062356 8C 1dxy 0.002105 0.007721 0.051817 0.010411 0.019856 0.029505 8C 2dz2 0.012577 -0.101913 -0.320252 -0.175176 -0.335165 0.432814 8C 2dxz -0.157941 -0.041887 -0.057939 -0.101918 -0.184019 -0.077520 8C 2dyz 0.038788 0.045759 0.108595 0.116321 0.029222 0.243343 8C 2dx2y2 -0.193587 -0.082935 0.165053 0.149604 0.006604 -0.238689 8C 2dxy 0.115273 0.089008 -0.010521 0.146992 0.152665 -0.345241 8C 1f0 -0.048247 -0.053627 -0.072324 -0.068002 -0.097702 0.052363 8C 1f+1 0.035059 0.024610 -0.079497 -0.029295 -0.024012 -0.022813 8C 1f-1 0.052867 0.037402 0.079975 0.035298 0.071141 0.036752 8C 1f+2 0.023167 0.012059 -0.093922 -0.041874 -0.044429 -0.016959 8C 1f-2 -0.016065 -0.016091 -0.018458 -0.015010 -0.022451 0.025618 8C 1f+3 -0.063060 -0.073606 -0.026845 -0.036098 -0.090670 0.068898 8C 1f-3 -0.062008 -0.042043 0.117298 0.036628 0.034799 -0.021643 9C 1s -0.000632 -0.000463 0.001613 0.003759 -0.000976 0.002931 9C 2s 0.004387 -0.003220 0.005531 0.015211 -0.005592 0.007874 9C 3s -0.002740 0.015360 0.006880 0.002191 0.008552 -0.067196 9C 4s -0.178407 0.018526 -0.324548 -0.699160 0.255253 0.001379 9C 5s -0.754508 0.612854 0.061757 -0.647398 0.328072 -0.070461 9C 1pz -0.037275 -0.054532 -0.052592 -0.078298 0.064855 -0.021507 9C 1px -0.121205 0.067834 -0.036379 -0.074454 0.078166 -0.026114 9C 1py 0.010438 0.104741 0.090326 0.063719 -0.094518 0.124149 9C 2pz 0.043101 0.110159 0.310321 0.689182 -0.329850 -0.136395 9C 2px 0.026294 0.032027 -0.049195 0.192557 -0.058903 -0.168773 9C 2py -0.022986 -0.231422 0.015065 0.126985 0.177701 0.440593 9C 3pz 0.174795 -0.151863 -0.014422 0.107239 -0.054583 -0.087627 9C 3px -0.082509 0.069021 -0.144442 -0.215350 0.133485 -0.074938 9C 3py 0.131732 -0.029393 0.085202 0.120030 -0.116953 0.221164 9C 1dz2 -0.015193 -0.025157 -0.023182 -0.030271 0.052764 0.058813 9C 1dxz -0.049168 -0.017224 -0.012406 -0.078695 0.047947 0.049886 9C 1dyz -0.007786 0.005002 -0.000811 0.016419 -0.007404 -0.024175 9C 1dx2y2 0.027445 -0.055664 -0.029445 -0.039796 0.046198 0.028150 9C 1dxy -0.012355 0.050569 0.044806 0.014509 -0.049364 0.024164 9C 2dz2 -0.043286 0.188682 0.103075 -0.014161 -0.172036 0.225849 9C 2dxz 0.092072 0.022689 -0.076624 0.128689 -0.022362 -0.427763 9C 2dyz 0.028935 -0.115403 -0.134744 -0.275574 0.110318 -0.193385 9C 2dx2y2 0.101374 0.007006 0.196947 0.187364 -0.280876 0.085610 9C 2dxy 0.199956 -0.073263 0.066423 0.014227 -0.002581 0.514150 9C 1f0 -0.017947 0.096428 0.053524 0.051192 -0.070186 0.020968 9C 1f+1 -0.042005 -0.021169 -0.065954 -0.058462 0.074806 -0.092273 9C 1f-1 0.038734 -0.042289 0.004818 0.034079 -0.007688 -0.018830 9C 1f+2 0.005601 -0.019128 -0.004190 0.014252 -0.011004 -0.045327 9C 1f-2 0.080146 -0.002693 0.037731 0.091185 -0.068900 0.024492 9C 1f+3 -0.034155 0.065932 0.052936 0.035529 -0.049319 0.084774 9C 1f-3 -0.078688 0.031333 -0.028852 -0.070297 0.057252 -0.001740 10H 1s -0.161723 0.139312 -0.007973 0.073971 0.067701 -0.022276 10H 2s 0.109003 -0.219282 0.168990 0.000531 -0.182670 -0.228838 10H 3s -0.085044 0.132500 0.055987 0.012837 -0.009527 -0.000754 10H 1pz 0.029423 -0.145574 -0.067385 0.064654 0.097413 0.158107 10H 1px -0.025337 0.015229 -0.071530 -0.012517 0.076426 0.131228 10H 1py 0.114685 0.114457 0.194748 -0.114358 -0.274438 -0.358548 11H 1s 0.259423 0.095764 0.205948 -0.254915 -0.398635 -0.130968 11H 2s -0.488767 0.058199 -0.360800 0.249874 0.470304 0.822207 11H 3s 0.074542 0.144215 0.084247 0.040725 -0.098238 -0.063970 11H 1pz -0.083367 -0.081654 -0.141305 0.104983 0.186735 0.352372 11H 1px -0.142077 0.179007 -0.006862 -0.020623 -0.000377 0.061575 11H 1py -0.060615 0.046660 0.013445 0.038503 0.055263 -0.081796 12H 1s 0.126476 -0.301854 -0.178278 0.077298 0.228025 0.170412 12H 2s -0.330374 0.355040 0.153161 0.025615 -0.001912 -0.762942 12H 3s -0.015869 -0.130536 -0.115529 0.206172 0.223381 0.089190 12H 1pz -0.059979 0.057732 0.056389 0.011155 -0.074686 -0.109112 12H 1px -0.207546 0.044878 -0.118818 0.087433 0.241190 0.111631 12H 1py 0.001999 0.077545 0.089008 -0.014389 -0.082161 -0.368111 13H 1s 0.116694 0.108798 -0.214937 0.074572 -0.012365 0.019247 13H 2s -0.205101 -0.126590 0.206112 -0.198831 0.110973 0.251593 13H 3s 0.129690 0.095086 -0.127490 0.048900 -0.007059 -0.030976 13H 1pz 0.016256 0.096209 0.213688 -0.230928 0.226154 0.288371 13H 1px 0.048467 0.092861 0.097982 -0.076292 0.090652 0.080054 13H 1py 0.122622 0.107992 0.034999 -0.102481 0.115611 0.111536 14H 1s -0.217839 -0.250161 0.065956 0.108565 -0.174451 -0.093578 14H 2s 0.223627 0.281207 -0.179824 -0.157553 0.183180 0.656417 14H 3s -0.067844 -0.160606 -0.098234 0.172791 -0.129805 -0.026583 14H 1pz 0.034898 0.062882 0.215894 -0.219774 0.228080 0.321157 14H 1px 0.020307 0.036497 -0.170701 0.074605 -0.068612 0.095203 14H 1py -0.052465 -0.029057 0.073043 -0.020238 -0.043764 -0.054408 15H 1s 0.069492 0.122241 0.386749 -0.311696 0.277112 0.035470 15H 2s 0.075979 -0.096657 -0.757719 0.617162 -0.540950 -0.672729 15H 3s 0.160814 0.085634 -0.009795 0.041126 0.068968 0.027108 15H 1pz -0.031453 -0.040694 0.012032 0.009640 -0.023449 0.079613 15H 1px 0.087693 0.135263 -0.136002 0.031703 -0.003791 0.018337 15H 1py 0.018152 0.080719 0.215767 -0.221933 0.201899 0.281218 16H 1s -0.270177 0.019119 0.014406 -0.049460 -0.033700 0.024443 16H 2s 0.915376 -0.116236 -0.020242 0.183466 0.061575 -0.079585 16H 3s -0.385156 0.012677 0.062535 -0.124971 -0.084591 0.017396 16H 1pz 0.383693 -0.096593 0.012536 0.001632 -0.019772 -0.045346 16H 1px -0.124850 -0.012978 0.020134 -0.071342 -0.064011 -0.001853 16H 1py 0.198569 0.020547 -0.049398 0.092447 0.042815 -0.008784 17H 1s 0.245286 -0.066293 0.005194 0.022465 -0.028894 -0.044864 17H 2s -0.860137 0.178938 0.008436 -0.046687 0.050715 0.155328 17H 3s 0.363572 -0.114902 -0.019110 -0.042617 -0.071972 -0.067629 17H 1pz 0.258993 0.014767 -0.082329 0.095023 0.062362 -0.006760 17H 1px 0.272399 -0.045083 0.014399 0.030823 -0.037324 -0.055985 17H 1py -0.235407 0.087521 -0.019327 0.029175 0.031331 0.043961 18H 1s -0.233344 0.067494 -0.001233 0.016598 0.023269 -0.040136 18H 2s 0.819236 -0.183800 -0.020917 -0.040993 -0.024768 0.138606 18H 3s -0.344601 0.115347 0.022538 -0.058705 0.043706 -0.061650 18H 1pz 0.258543 0.010011 -0.084958 -0.108316 0.042233 0.002552 18H 1px 0.261556 -0.048083 0.009089 -0.024509 -0.031790 0.050859 18H 1py -0.224726 0.088471 -0.017886 -0.036819 0.014367 -0.039117 19H 1s 0.272594 -0.020722 -0.017894 -0.060917 0.026779 0.016755 19H 2s -0.926409 0.120834 0.034748 0.208800 -0.036768 -0.056612 19H 3s 0.386609 -0.015343 -0.068243 -0.147939 0.059668 0.005784 19H 1pz 0.380175 -0.097931 0.009541 0.000476 -0.009228 0.037140 19H 1px -0.127875 -0.011050 0.022043 0.087854 -0.045758 0.005399 19H 1py 0.206906 0.017202 -0.052261 -0.103048 0.023036 0.004560 20H 1s -0.114029 -0.132062 -0.395595 -0.217309 -0.348425 0.049403 20H 2s -0.077231 0.114125 0.780676 0.436632 0.645309 -0.700569 20H 3s -0.209923 -0.091895 0.011359 0.055706 -0.057073 0.030335 20H 1pz -0.043862 -0.040142 0.012028 -0.003066 -0.031346 -0.077186 20H 1px 0.110858 0.137806 -0.135622 -0.027126 -0.015789 -0.019529 20H 1py 0.024876 0.088661 0.223743 0.156787 0.237449 -0.293315 21H 1s 0.292956 0.259388 -0.060342 0.062590 0.189647 -0.100925 21H 2s -0.223194 -0.293100 0.169924 -0.108321 -0.179279 0.672572 21H 3s 0.104134 0.165536 0.108554 0.131670 0.169672 -0.033052 21H 1pz 0.037441 0.071726 0.223543 0.148284 0.260167 -0.334122 21H 1px -0.001110 0.034472 -0.173187 -0.052272 -0.094400 -0.093952 21H 1py -0.058920 -0.030146 0.071833 0.026140 -0.035187 0.059022 22H 1s -0.138363 -0.108448 0.213526 0.061649 0.037047 0.019854 22H 2s 0.184153 0.118702 -0.212173 -0.165369 -0.146155 0.241022 22H 3s -0.164993 -0.094873 0.130058 0.041379 0.017274 -0.033648 22H 1pz 0.044882 0.107556 0.224334 0.161851 0.263832 -0.298083 22H 1px 0.052087 0.095204 0.099592 0.044415 0.102917 -0.085725 22H 1py 0.141006 0.113586 0.039252 0.068000 0.131032 -0.121665 23H 1s -0.136752 0.315895 0.190863 0.110602 -0.204109 0.183253 23H 2s 0.296095 -0.356470 -0.152384 0.059562 -0.025734 -0.781861 23H 3s 0.007291 0.140431 0.128369 0.252326 -0.172230 0.102442 23H 1pz -0.057587 0.059679 0.058949 0.001360 -0.073582 0.116541 23H 1px -0.198544 0.038856 -0.124760 -0.136515 0.210070 -0.123487 23H 1py 0.011747 0.078259 0.086358 0.017134 -0.056296 0.378454 24H 1s -0.232860 -0.112640 -0.224791 -0.331977 0.331916 -0.153522 24H 2s 0.493109 -0.057172 0.361529 0.324876 -0.355999 0.856285 24H 3s -0.052950 -0.155075 -0.093363 0.025191 0.109758 -0.069068 24H 1pz -0.082251 -0.086642 -0.145925 -0.131325 0.142849 -0.370018 24H 1px -0.148554 0.185306 -0.000174 0.019235 -0.006034 -0.060470 24H 1py -0.053756 0.046733 0.010294 -0.052967 0.050121 0.078926 25H 1s 0.153889 -0.136548 0.013286 0.094025 -0.052509 -0.018762 25H 2s -0.109966 0.222530 -0.164387 -0.038297 0.158794 -0.222324 25H 3s 0.087534 -0.131277 -0.058971 0.019752 0.011341 -0.000587 25H 1pz 0.031847 -0.151717 -0.073824 -0.076312 0.076417 -0.171355 25H 1px -0.028600 0.013742 -0.071961 -0.002585 0.070516 -0.138105 25H 1py 0.111479 0.123369 0.201756 0.159448 -0.228211 0.374838 26O 1s -0.005261 0.000489 0.002350 0.000299 -0.000266 -0.001464 26O 2s -0.015462 0.001707 0.006696 -0.000654 -0.001100 -0.002672 26O 3s 0.058423 -0.006293 -0.019306 0.021008 -0.004739 -0.020221 26O 4s 0.152056 -0.080948 -0.100188 -0.058186 0.094048 0.226182 26O 5s 0.141743 0.564082 0.001502 -0.014796 0.271257 -0.159331 26O 1pz -0.034267 0.032201 -0.016155 0.000042 0.041243 -0.040325 26O 1px 0.003102 -0.055234 -0.028229 0.060391 0.051235 0.003005 26O 1py -0.027878 0.082993 0.056381 -0.042181 -0.080267 -0.019354 26O 2pz 0.091724 -0.058933 0.021129 -0.043001 -0.073134 0.017424 26O 2px -0.103190 0.042486 0.059501 -0.024244 -0.102116 -0.078297 26O 2py -0.006923 -0.112656 -0.029874 0.032423 0.020239 0.032836 26O 3pz -0.383656 0.091279 0.278353 -0.255372 -0.091186 -0.130021 26O 3px -0.248940 -0.221154 -0.000309 -0.085596 -0.052589 0.040782 26O 3py -0.257292 0.193460 0.186477 -0.319635 -0.321071 0.040593 26O 1dz2 -0.004571 0.000209 0.003085 -0.000195 -0.001654 -0.003244 26O 1dxz -0.002590 -0.002636 0.000189 0.006261 0.001353 -0.002727 26O 1dyz -0.001428 0.002748 0.000365 0.001507 0.000799 -0.002333 26O 1dx2y2 -0.003507 -0.000117 0.001839 -0.000090 -0.000282 -0.001072 26O 1dxy -0.003121 -0.002330 -0.000051 0.005331 0.004493 -0.001643 26O 2dz2 -0.116330 -0.018854 0.089816 -0.011826 -0.077471 -0.057845 26O 2dxz -0.086413 0.066772 -0.045349 0.172255 0.053083 0.036759 26O 2dyz -0.090234 0.078821 0.012449 0.028447 0.008973 0.039519 26O 2dx2y2 -0.011607 0.094634 0.086445 -0.084251 -0.124035 -0.016763 26O 2dxy -0.061075 -0.014803 -0.065859 0.150007 0.207257 -0.085329 26O 1f0 -0.002786 0.000686 -0.002320 -0.001106 0.002337 0.002718 26O 1f+1 0.007650 -0.002534 -0.000058 -0.007753 -0.001276 -0.000406 26O 1f-1 0.004301 -0.001646 0.000313 -0.002674 -0.000865 -0.000326 26O 1f+2 0.003020 0.001832 0.000603 0.003664 0.003047 -0.004474 26O 1f-2 0.005854 -0.001915 0.001304 -0.002867 -0.002282 0.002720 26O 1f+3 0.004806 -0.003782 -0.001201 -0.001775 -0.002549 0.007767 26O 1f-3 0.006093 -0.000434 0.001965 -0.008073 -0.003765 0.001603 27O 1s 0.000343 -0.000528 -0.003040 0.000271 0.000902 0.001565 27O 2s 0.001116 -0.001226 -0.008451 0.001686 0.002413 0.002690 27O 3s 0.004009 0.002715 0.038531 -0.037113 0.007775 0.025418 27O 4s -0.147655 -0.033059 0.048404 0.247038 -0.152434 -0.249261 27O 5s 0.046192 0.436048 -0.819575 -0.071940 -0.125432 0.048069 27O 1pz 0.041467 0.096818 -0.032618 -0.077534 0.052204 0.003961 27O 1px -0.001969 -0.011110 -0.012727 0.027661 -0.005169 0.006630 27O 1py 0.045607 -0.024434 0.054362 0.024290 0.034696 -0.030427 27O 2pz -0.058000 -0.113575 0.063554 0.057279 -0.025117 -0.037784 27O 2px 0.083770 -0.044276 0.065521 -0.117706 0.094376 0.093086 27O 2py -0.024957 0.039114 -0.155611 0.037026 -0.054179 -0.014389 27O 3pz 0.247605 0.261529 -0.090849 -0.206114 0.071659 -0.078929 27O 3px 0.093176 -0.058997 0.180630 -0.152989 0.105201 -0.022026 27O 3py -0.046030 -0.087287 0.135645 0.249134 -0.124245 -0.046086 27O 1dz2 0.001170 0.003067 0.005607 0.000893 -0.002450 -0.004634 27O 1dxz -0.002938 -0.001336 0.001288 0.003468 -0.002369 0.001185 27O 1dyz 0.000678 -0.003955 0.001944 0.002360 0.002182 -0.000748 27O 1dx2y2 0.001221 -0.000856 0.000659 0.001749 -0.003655 -0.000832 27O 1dxy 0.001414 0.001969 0.003348 -0.003778 0.000575 -0.003745 27O 2dz2 -0.024889 -0.004599 0.150219 -0.003428 -0.039647 -0.101032 27O 2dxz -0.060363 -0.078574 -0.084853 0.181235 -0.118413 0.070564 27O 2dyz -0.049787 -0.040630 0.028147 0.034295 0.027460 0.005620 27O 2dx2y2 -0.055080 0.026862 -0.023964 0.008553 -0.110194 -0.005805 27O 2dxy -0.154900 -0.058920 0.245300 -0.181511 0.029511 0.018125 27O 1f0 0.001178 0.002336 -0.002897 -0.003230 -0.000739 0.004966 27O 1f+1 -0.002368 0.000441 0.004949 -0.003932 0.000726 -0.005978 27O 1f-1 -0.000657 0.000747 0.001269 -0.000222 -0.002790 -0.001210 27O 1f+2 -0.001355 -0.000963 -0.001292 -0.000525 -0.000548 -0.004868 27O 1f-2 -0.000752 0.003264 -0.004407 0.003556 -0.001451 0.005056 27O 1f+3 -0.004186 0.000435 0.009779 -0.004900 -0.000163 -0.001148 27O 1f-3 -0.000840 0.000285 0.001444 -0.001597 0.001893 0.003308 28O 1s -0.002019 0.001858 -0.000872 -0.000230 -0.000091 -0.000656 28O 2s -0.005632 0.005269 -0.002896 0.000458 -0.000602 -0.001064 28O 3s 0.040735 -0.027934 0.025960 -0.033738 -0.007099 -0.012998 28O 4s -0.219033 0.092682 -0.085430 0.265700 0.104131 0.121727 28O 5s 0.280187 -0.290427 -0.281714 -0.094360 0.247208 0.000452 28O 1pz -0.031069 0.019709 0.020407 -0.051298 -0.031494 0.006768 28O 1px 0.034828 -0.021342 0.019165 -0.057566 -0.060757 0.003409 28O 1py 0.005431 -0.087640 -0.034881 -0.005008 0.069409 -0.039922 28O 2pz 0.039018 -0.013189 0.044889 0.029422 -0.043394 -0.083083 28O 2px -0.104011 0.023138 -0.063264 0.116715 0.094566 0.034170 28O 2py -0.000685 0.099451 0.057678 0.005142 -0.064822 0.009931 28O 3pz 0.192387 -0.025291 0.100770 -0.572548 -0.222680 0.071986 28O 3px 0.253585 -0.066527 -0.103252 -0.018630 -0.020006 -0.012720 28O 3py 0.215718 -0.164173 -0.135832 -0.272853 -0.096753 0.005472 28O 1dz2 -0.003834 0.001648 -0.000998 0.001501 0.008157 0.001310 28O 1dxz 0.005218 -0.002730 0.001677 -0.004781 -0.000756 0.001839 28O 1dyz -0.003227 0.000666 -0.000293 -0.004539 -0.001299 -0.001065 28O 1dx2y2 0.001574 -0.000483 -0.000078 -0.000530 0.002696 -0.001216 28O 1dxy 0.003756 -0.002995 -0.000690 -0.004297 -0.000988 0.000556 28O 2dz2 0.033050 -0.082759 -0.093527 0.138407 0.241380 -0.016962 28O 2dxz 0.011665 0.038889 0.067811 -0.104014 -0.036578 -0.012694 28O 2dyz 0.048166 -0.003213 -0.018028 -0.048397 -0.048474 0.053368 28O 2dx2y2 0.041496 -0.037037 0.004731 -0.061671 0.008425 -0.075204 28O 2dxy 0.097847 -0.041464 -0.022454 -0.127085 -0.028488 -0.015256 28O 1f0 -0.002600 -0.003235 -0.002059 0.000362 0.000512 -0.000304 28O 1f+1 -0.000798 0.000093 -0.001491 -0.000199 0.001493 0.005056 28O 1f-1 0.000157 0.002656 0.000812 0.004342 -0.002208 -0.000010 28O 1f+2 -0.001092 -0.001680 0.000081 0.000655 0.000597 0.002832 28O 1f-2 -0.002271 -0.000142 0.002392 0.005407 -0.001651 -0.004003 28O 1f+3 -0.001748 -0.004150 -0.001291 0.005695 0.004651 -0.006576 28O 1f-3 0.000403 0.002269 0.003799 -0.004473 -0.004178 -0.003013 29O 1s -0.002674 0.006277 -0.002345 -0.009279 -0.003228 -0.001883 29O 2s -0.008703 0.019948 -0.007432 -0.028831 -0.010555 -0.006117 29O 3s 0.050710 -0.110895 0.043135 0.143154 0.064951 0.037260 29O 4s -0.064511 0.124775 -0.056909 0.003703 -0.086115 -0.035949 29O 5s 0.036171 -0.049606 0.011750 -0.465291 0.004575 -0.060967 29O 1pz -0.229642 -0.004004 0.008562 -0.058497 -0.018383 0.032123 29O 1px -0.064435 0.118824 -0.073175 0.033481 0.037111 0.023871 29O 1py 0.004509 -0.025302 0.016718 -0.028230 -0.035240 -0.009177 29O 2pz 0.903343 -0.108197 -0.035601 0.160862 0.029890 -0.109979 29O 2px 0.308901 -0.157403 0.059133 -0.057235 -0.056858 -0.071467 29O 2py -0.070049 0.036561 -0.003096 0.017456 0.054274 0.023933 29O 3pz -0.123623 -0.023130 0.086016 -0.165482 -0.065711 -0.018068 29O 3px -0.010313 0.111169 -0.055116 0.399338 0.143040 0.073749 29O 3py 0.025450 -0.051439 0.009138 -0.003258 -0.074158 0.012877 29O 1dz2 0.008926 -0.004016 0.001443 0.003083 0.001092 -0.000597 29O 1dxz -0.006982 -0.001957 0.000592 0.003115 0.001932 0.001852 29O 1dyz 0.013044 -0.002464 -0.000620 0.002483 -0.000477 -0.001434 29O 1dx2y2 -0.002362 0.003957 -0.002425 -0.006198 -0.001204 -0.000855 29O 1dxy 0.004397 0.000406 0.000513 -0.001373 0.000509 -0.001747 29O 2dz2 -0.039038 -0.040547 0.066361 -0.058713 -0.048471 -0.017373 29O 2dxz -0.044029 -0.005100 -0.005035 -0.004034 -0.021056 0.000525 29O 2dyz -0.057219 0.043838 -0.042956 0.044145 0.032272 0.023788 29O 2dx2y2 0.002479 -0.077552 0.025994 -0.135534 -0.031317 -0.014721 29O 2dxy -0.082042 -0.043149 0.065509 -0.081663 -0.049218 -0.022407 29O 1f0 0.007462 -0.000890 0.000027 -0.000552 0.001293 0.000173 29O 1f+1 0.006842 -0.000901 -0.000549 0.001078 -0.000551 -0.000990 29O 1f-1 0.030773 -0.003931 -0.001306 0.003235 0.002400 -0.002549 29O 1f+2 -0.012195 0.002245 -0.000082 -0.000368 -0.000341 0.001268 29O 1f-2 -0.044320 0.007606 0.002567 -0.006318 0.000079 0.006220 29O 1f+3 0.012214 -0.002518 0.000207 0.001758 -0.001367 -0.001737 29O 1f-3 0.021707 -0.004639 -0.001374 0.001579 -0.002338 -0.002895 30O 1s -0.003501 0.000877 -0.000377 -0.000416 -0.000244 0.000706 30O 2s -0.010836 0.002341 -0.000466 -0.000518 -0.000654 0.001081 30O 3s 0.035906 -0.007993 0.016925 -0.023663 0.010586 0.011894 30O 4s 0.161060 0.036153 -0.233819 0.230016 -0.041531 -0.090277 30O 5s 0.420623 -0.690067 0.282657 -0.140973 -0.297719 -0.014632 30O 1pz -0.060534 -0.064511 0.008902 0.017266 -0.051031 0.043927 30O 1px -0.024873 -0.071695 0.075336 -0.071028 -0.009007 -0.003437 30O 1py -0.037238 0.005408 0.004979 0.047230 -0.011906 0.007323 30O 2pz -0.012195 0.112760 0.022331 -0.041685 0.068177 -0.018306 30O 2px 0.136733 0.039606 -0.108496 0.098951 -0.013151 -0.013253 30O 2py 0.073810 -0.042797 -0.013983 -0.006550 -0.052465 -0.058593 30O 3pz -0.380322 -0.004577 0.249344 -0.199145 0.015124 -0.027200 30O 3px 0.037020 -0.279456 0.378801 -0.184980 -0.031306 0.018974 30O 3py 0.523495 -0.091264 -0.425823 0.413130 -0.136559 0.106093 30O 1dz2 0.003699 0.001103 -0.002374 0.000385 0.004080 0.000709 30O 1dxz -0.000438 -0.002030 0.003483 -0.003103 0.001531 0.000019 30O 1dyz -0.002128 -0.000360 0.004551 0.000706 0.000181 -0.001945 30O 1dx2y2 0.000951 -0.002080 0.005818 -0.003793 0.003055 -0.000662 30O 1dxy 0.002830 0.002559 -0.006492 0.004673 -0.001330 0.000725 30O 2dz2 0.144310 0.051008 -0.133916 0.058785 0.087346 -0.050705 30O 2dxz -0.079722 0.036186 0.041217 0.009074 0.004369 -0.029375 30O 2dyz -0.033358 0.061449 -0.009358 -0.060805 0.044205 0.041552 30O 2dx2y2 0.061934 0.019311 0.126570 -0.219799 0.114206 -0.040940 30O 2dxy 0.112436 -0.068879 -0.097235 0.096269 -0.084865 0.007088 30O 1f0 0.002531 0.001541 0.003509 -0.004003 -0.001444 -0.006289 30O 1f+1 -0.000084 0.001684 0.000814 -0.004739 0.003140 0.003135 30O 1f-1 -0.001140 -0.003586 -0.003286 0.001228 0.002311 0.002076 30O 1f+2 -0.005769 -0.003127 -0.002482 0.001080 -0.003661 0.002274 30O 1f-2 0.000324 -0.000589 -0.001852 0.000965 -0.001498 -0.004335 30O 1f+3 -0.001300 0.002886 -0.001907 0.001091 -0.001235 -0.003255 30O 1f-3 -0.001350 0.001666 -0.001244 0.001838 0.001258 0.002262 31O 1s 0.003860 -0.000886 0.000376 -0.000365 0.000101 0.000609 31O 2s 0.011577 -0.002384 0.000472 -0.000343 0.000392 0.000803 31O 3s -0.034877 0.008425 -0.017193 -0.021163 -0.015910 0.012726 31O 4s -0.188599 -0.037336 0.236662 0.203321 0.101215 -0.086610 31O 5s -0.357022 0.684879 -0.298105 -0.199544 0.263744 -0.003410 31O 1pz -0.089614 -0.066210 0.007260 -0.004287 -0.056182 -0.044043 31O 1px -0.039497 -0.071532 0.076777 0.068496 0.009724 0.003104 31O 1py -0.043569 0.003837 0.002334 -0.043927 -0.023137 -0.007587 31O 2pz 0.024940 0.113642 0.022492 0.022060 0.079998 0.020575 31O 2px 0.151968 0.040843 -0.108675 -0.088505 -0.041827 0.010052 31O 2py 0.067248 -0.040833 -0.010540 0.020283 -0.048205 0.056840 31O 3pz -0.429694 -0.006651 0.248066 0.176410 0.076014 0.030545 31O 3px 0.006607 -0.275299 0.388001 0.166474 0.009272 -0.027074 31O 3py 0.539085 -0.093650 -0.432610 -0.345052 -0.252792 -0.102096 31O 1dz2 -0.004251 -0.001150 0.002364 0.001236 -0.003825 0.000841 31O 1dxz 0.000794 0.001944 -0.003570 -0.002530 -0.002255 0.000058 31O 1dyz 0.000251 0.000252 -0.004581 0.000875 0.000099 -0.001978 31O 1dx2y2 -0.002671 0.002020 -0.005946 -0.002751 -0.003805 -0.000484 31O 1dxy -0.003377 -0.002534 0.006565 0.003936 0.002613 0.000609 31O 2dz2 -0.181545 -0.051950 0.134045 0.070924 -0.072782 -0.050170 31O 2dxz 0.075756 -0.035985 -0.038289 0.012622 -0.005077 -0.031205 31O 2dyz 0.019281 -0.063634 0.007876 -0.048088 -0.053637 0.041398 31O 2dx2y2 -0.084627 -0.022531 -0.132413 -0.178606 -0.165659 -0.037050 31O 2dxy -0.101543 0.069273 0.098007 0.066500 0.109000 0.005813 31O 1f0 0.002716 0.001632 0.003664 0.004009 -0.000109 0.006211 31O 1f+1 0.000129 0.001870 0.001015 0.003806 0.004051 -0.003219 31O 1f-1 -0.002120 -0.003656 -0.003312 -0.001550 0.001819 -0.002060 31O 1f+2 -0.007813 -0.003273 -0.002514 0.000023 -0.003741 -0.002097 31O 1f-2 -0.000323 -0.000813 -0.002032 -0.000498 -0.001113 0.004498 31O 1f+3 0.000669 0.002965 -0.001929 -0.000666 -0.001458 0.003493 31O 1f-3 -0.001351 0.001780 -0.001214 -0.001967 0.000793 -0.002153 32O 1s 0.003391 -0.006429 0.002095 -0.009687 0.000672 -0.001946 32O 2s 0.011130 -0.020408 0.006678 -0.030233 0.002549 -0.006335 32O 3s -0.067769 0.112819 -0.039982 0.153530 -0.023481 0.038894 32O 4s 0.090162 -0.123876 0.060366 -0.017628 0.077686 -0.039047 32O 5s -0.013254 0.045564 -0.028928 -0.452696 -0.123661 -0.060697 32O 1pz -0.227373 -0.001539 0.011726 0.065084 -0.009191 -0.025593 32O 1px -0.059980 0.118887 -0.072323 -0.042676 0.023866 -0.023488 32O 1py -0.001889 -0.023253 0.016647 0.037768 -0.026073 0.008708 32O 2pz 0.898019 -0.114623 -0.049036 -0.176274 0.015494 0.088503 32O 2px 0.291298 -0.158224 0.055692 0.068833 -0.026981 0.066283 32O 2py -0.039447 0.032431 -0.002350 -0.035060 0.043656 -0.021406 32O 3pz -0.127230 -0.019035 0.089033 0.174458 -0.023292 0.024453 32O 3px 0.004546 0.107163 -0.065319 -0.426903 0.033021 -0.076411 32O 3py 0.034828 -0.049621 0.008916 0.024292 -0.073901 -0.010988 32O 1dz2 -0.008425 0.003988 -0.001342 0.003302 -0.000542 -0.000384 32O 1dxz 0.006915 0.001884 -0.000630 0.003262 -0.000782 0.001792 32O 1dyz -0.013419 0.002612 0.000832 0.002484 0.000649 -0.001173 32O 1dx2y2 0.002855 -0.004095 0.002228 -0.006375 -0.000402 -0.000866 32O 1dxy -0.003803 -0.000398 -0.000451 -0.001087 -0.001169 -0.001560 32O 2dz2 0.037136 0.041958 -0.067898 -0.069955 0.032591 -0.019347 32O 2dxz 0.037694 0.003980 0.007232 -0.008036 0.018025 0.000777 32O 2dyz 0.054145 -0.040602 0.038489 0.042961 -0.015050 0.022254 32O 2dx2y2 -0.006185 0.076269 -0.029611 -0.141595 -0.004340 -0.016116 32O 2dxy 0.084932 0.043670 -0.067009 -0.093720 0.026166 -0.024137 32O 1f0 0.006555 -0.000671 0.000113 0.000279 0.001254 -0.000491 32O 1f+1 0.007430 -0.001200 -0.000751 -0.001171 -0.000563 0.001084 32O 1f-1 0.030892 -0.003933 -0.001595 -0.004162 0.002280 0.001661 32O 1f+2 -0.012285 0.002188 -0.000006 0.000672 -0.000662 -0.000933 32O 1f-2 -0.043393 0.008040 0.003243 0.006555 0.000008 -0.005351 32O 1f+3 0.010152 -0.002270 0.000084 -0.001311 -0.001304 0.001288 32O 1f-3 0.021561 -0.004826 -0.001656 -0.001092 -0.001922 0.002536 33O 1s 0.001826 -0.001867 0.000849 -0.000326 0.000031 -0.000682 33O 2s 0.005117 -0.005298 0.002877 0.000020 0.000688 -0.001231 33O 3s -0.039093 0.027988 -0.027271 -0.032619 -0.001115 -0.011343 33O 4s 0.226499 -0.090712 0.096811 0.283418 -0.036717 0.119113 33O 5s -0.283299 0.284895 0.281628 -0.062993 -0.273004 -0.010266 33O 1pz -0.033084 0.022847 0.024696 0.058839 -0.021492 -0.005829 33O 1px 0.032187 -0.019576 0.022633 0.071762 -0.045350 0.000065 33O 1py 0.011256 -0.091896 -0.038878 -0.009184 0.074693 0.039286 33O 2pz 0.051172 -0.017580 0.040913 -0.025237 -0.041196 0.080093 33O 2px -0.106204 0.021300 -0.069989 -0.135625 0.064775 -0.035886 33O 2py -0.005869 0.102573 0.061127 0.005030 -0.067135 -0.009726 33O 3pz 0.164865 -0.011475 0.129719 0.621978 -0.104219 -0.060547 33O 3px 0.244192 -0.066994 -0.104814 0.031080 -0.004809 0.025481 33O 3py 0.209587 -0.162027 -0.126280 0.309533 -0.033143 0.004922 33O 1dz2 0.003592 -0.001520 0.001064 0.003374 -0.007419 0.001812 33O 1dxz -0.004302 0.002660 -0.001825 -0.004947 -0.000247 0.001737 33O 1dyz 0.003062 -0.000793 0.000001 -0.004748 0.000353 -0.001062 33O 1dx2y2 -0.001732 0.000576 0.000174 0.000135 -0.003083 -0.001094 33O 1dxy -0.004054 0.002908 0.000530 -0.004622 -0.000035 0.000488 33O 2dz2 -0.048978 0.088129 0.101400 0.185754 -0.203293 -0.008732 33O 2dxz -0.002756 -0.040272 -0.071939 -0.106676 0.014613 -0.013411 33O 2dyz -0.049965 -0.002271 0.011349 -0.064121 0.043750 0.051665 33O 2dx2y2 -0.045554 0.040557 -0.003064 -0.056249 -0.033362 -0.076977 33O 2dxy -0.099236 0.041430 0.018706 -0.133029 -0.004574 -0.018512 33O 1f0 -0.002460 -0.003473 -0.002297 -0.000419 0.000662 0.000285 33O 1f+1 -0.001174 0.000139 -0.001520 -0.000004 0.001331 -0.005195 33O 1f-1 0.000017 0.002585 0.000655 -0.003928 -0.002988 0.000002 33O 1f+2 -0.000688 -0.001686 0.000192 -0.000597 0.000080 -0.003125 33O 1f-2 -0.002114 -0.000217 0.002061 -0.005018 -0.002567 0.003942 33O 1f+3 -0.000915 -0.004584 -0.001772 -0.006711 0.003728 0.006376 33O 1f-3 0.000419 0.002471 0.004016 0.005069 -0.002848 0.003185 34O 1s -0.000651 0.000525 0.003030 0.000274 -0.000734 0.001431 34O 2s -0.001555 0.001315 0.008502 0.001653 -0.001913 0.002300 34O 3s -0.011559 -0.005042 -0.040544 -0.031676 -0.012982 0.027483 34O 4s 0.207788 0.045921 -0.035577 0.204173 0.183749 -0.252105 34O 5s -0.086407 -0.441358 0.810795 -0.124806 0.121323 0.036277 34O 1pz 0.069453 0.099867 -0.028184 0.062412 0.068084 -0.003820 34O 1px -0.003913 -0.011123 -0.013481 -0.024078 -0.011098 -0.006374 34O 1py 0.049660 -0.024596 0.053652 -0.033534 0.031621 0.028525 34O 2pz -0.088923 -0.117270 0.059150 -0.050493 -0.034229 0.037265 34O 2px 0.098923 -0.039458 0.070959 0.088243 0.111920 -0.095885 34O 2py -0.022265 0.037704 -0.157341 -0.017074 -0.064225 0.017050 34O 3pz 0.336259 0.267883 -0.085617 0.184862 0.125119 0.086727 34O 3px 0.106074 -0.057290 0.183911 0.120975 0.149321 0.016778 34O 3py -0.058495 -0.086541 0.133983 -0.218557 -0.184506 0.045465 34O 1dz2 -0.001453 -0.002939 -0.005392 0.000647 0.002096 -0.004751 34O 1dxz 0.002267 0.001388 -0.001200 0.002830 0.003306 0.001050 34O 1dyz 0.000619 0.004097 -0.001847 0.002858 -0.001734 -0.000546 34O 1dx2y2 -0.000681 0.000851 -0.000638 0.000797 0.003948 -0.000996 34O 1dxy 0.000227 -0.001811 -0.003247 -0.003220 -0.001964 -0.003643 34O 2dz2 0.017307 0.005700 -0.147234 -0.005738 0.028062 -0.103687 34O 2dxz 0.098753 0.082909 0.090850 0.143044 0.162940 0.069645 34O 2dyz 0.057631 0.041592 -0.028252 0.040993 -0.018634 0.008051 34O 2dx2y2 0.056763 -0.027293 0.023192 -0.017941 0.113392 -0.010120 34O 2dxy 0.182157 0.059835 -0.247003 -0.157660 -0.076061 0.019904 34O 1f0 0.001584 0.002558 -0.002647 0.003425 -0.000407 -0.005037 34O 1f+1 -0.003200 0.000396 0.004875 0.003400 0.002137 0.005931 34O 1f-1 -0.000123 0.000771 0.001272 0.000827 -0.002593 0.001300 34O 1f+2 -0.000584 -0.001039 -0.001349 0.000746 -0.000204 0.004907 34O 1f-2 0.000055 0.003308 -0.004369 -0.002920 -0.002726 -0.005024 34O 1f+3 -0.005823 0.000308 0.009796 0.004409 0.001477 0.001050 34O 1f-3 0.000599 0.000604 0.001656 0.001106 0.001811 -0.003313 35O 1s 0.004913 -0.000470 -0.002308 0.000338 0.000216 -0.001449 35O 2s 0.014288 -0.001727 -0.006717 -0.000642 0.000794 -0.002722 35O 3s -0.049417 0.007798 0.021635 0.020009 0.006156 -0.019205 35O 4s -0.173217 0.072612 0.087512 -0.053475 -0.078284 0.221338 35O 5s -0.175060 -0.567452 0.009252 0.104978 -0.286560 -0.123603 35O 1pz -0.029762 0.028415 -0.019914 -0.013143 0.047135 0.037836 35O 1px 0.006771 -0.057462 -0.030946 -0.068021 0.035935 -0.004871 35O 1py -0.031422 0.086690 0.059716 0.056143 -0.068517 0.019865 35O 2pz 0.082920 -0.055182 0.026066 0.063947 -0.067725 -0.012769 35O 2px -0.121257 0.040670 0.057767 0.043242 -0.086382 0.082963 35O 2py -0.012076 -0.117148 -0.033435 -0.031790 0.012112 -0.031615 35O 3pz -0.375244 0.087282 0.284046 0.241023 -0.016014 0.129720 35O 3px -0.270016 -0.226344 0.004814 0.113846 -0.034083 -0.031197 35O 3py -0.285717 0.205836 0.210190 0.381059 -0.246271 -0.031474 35O 1dz2 0.003786 -0.000096 -0.003000 -0.000277 0.001328 -0.003284 35O 1dxz 0.002008 0.002756 0.000142 0.006291 -0.000110 -0.002683 35O 1dyz 0.001883 -0.002728 -0.000179 0.001781 -0.000810 -0.002118 35O 1dx2y2 0.003450 0.000136 -0.001808 0.000038 0.000250 -0.001087 35O 1dxy 0.002752 0.002499 0.000465 0.006245 -0.003360 -0.001394 35O 2dz2 0.110582 0.020510 -0.090377 -0.024921 0.070706 -0.062067 35O 2dxz 0.079156 -0.069133 0.048970 0.178919 -0.005123 0.041616 35O 2dyz 0.095350 -0.081523 -0.012845 0.034696 0.000510 0.043658 35O 2dx2y2 0.014113 -0.099382 -0.090816 -0.104290 0.100341 -0.018980 35O 2dxy 0.042008 0.021965 0.079193 0.200142 -0.176091 -0.076833 35O 1f0 -0.003023 0.000678 -0.002231 0.000682 0.002386 -0.002809 35O 1f+1 0.007556 -0.002485 0.000288 0.007920 0.000525 0.000617 35O 1f-1 0.004693 -0.001535 0.000565 0.002902 -0.000531 0.000466 35O 1f+2 0.003091 0.001685 0.000319 -0.004443 0.002482 0.004372 35O 1f-2 0.005098 -0.001787 0.001485 0.003393 -0.001764 -0.002584 35O 1f+3 0.004245 -0.003703 -0.001053 0.002548 -0.002476 -0.007815 35O 1f-3 0.006792 -0.000129 0.002479 0.008741 -0.002032 -0.001483 426 427 428 429 430 431 2.36103 2.37776 2.38904 2.39035 2.39730 2.42325 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s 0.000225 -0.000406 0.000385 -0.002806 -0.000077 0.002296 0Rh 2s -0.001685 0.002244 -0.002111 0.016343 0.000854 -0.011445 0Rh 3s 0.000298 -0.001029 0.000986 -0.006589 0.000066 0.006575 0Rh 4s 0.008632 -0.011472 0.010768 -0.083373 -0.004325 0.058360 0Rh 5s -0.016329 0.018622 -0.017062 0.135780 0.008337 -0.084247 0Rh 6s 0.010369 -0.002890 -0.000069 -0.007346 -0.003917 -0.050680 0Rh 7s -0.051265 0.081025 0.028563 -0.014577 -0.027371 0.589651 0Rh 8s 0.082283 -0.032079 -0.073855 -0.329266 -0.104692 -0.017584 0Rh 1pz 0.001505 0.001173 -0.002991 0.002526 -0.003909 -0.000289 0Rh 1px 0.003061 0.000296 -0.002832 -0.000516 -0.000769 0.000735 0Rh 1py -0.000227 0.005214 0.003258 0.000607 -0.003247 0.004193 0Rh 2pz -0.004730 -0.004129 0.010389 -0.008997 0.014473 0.000821 0Rh 2px -0.010814 -0.001006 0.010152 0.001899 0.003046 -0.001920 0Rh 2py 0.000973 -0.018462 -0.012080 -0.002164 0.011175 -0.014862 0Rh 3pz -0.009702 0.002645 -0.003318 0.007520 -0.024067 0.003628 0Rh 3px 0.006812 -0.000061 -0.009945 -0.002853 -0.009011 -0.013026 0Rh 3py -0.004323 0.013131 0.020719 0.001603 -0.001279 0.010611 0Rh 4pz 0.076389 0.015555 -0.057536 0.030759 0.001894 -0.020489 0Rh 4px 0.048973 0.007352 -0.028862 -0.000359 0.017203 0.067667 0Rh 4py 0.011414 0.073645 -0.005646 0.010868 -0.072099 0.059201 0Rh 5pz -0.160783 -0.011359 0.103994 -0.049824 -0.019903 0.042467 0Rh 5px -0.098021 -0.016719 0.049425 -0.010972 -0.043283 -0.134231 0Rh 5py -0.022147 -0.131751 0.031926 -0.038307 0.133971 -0.092457 0Rh 6pz 0.002548 -0.537411 0.155495 -0.180095 0.503795 -0.436064 0Rh 6px 0.050705 -0.016856 0.169619 0.118915 0.374362 0.358733 0Rh 6py -0.129667 -0.229113 -0.550148 0.380865 0.142275 -0.987750 0Rh 1dz2 0.002345 -0.005707 0.000944 -0.001292 0.006226 -0.005107 0Rh 1dxz -0.007983 0.010862 0.011109 -0.004551 -0.001669 0.000767 0Rh 1dyz -0.023169 0.017785 -0.001037 0.002303 -0.003259 -0.000601 0Rh 1dx2y2 0.005050 0.009743 0.002633 0.010566 -0.003943 -0.005283 0Rh 1dxy -0.007574 0.002896 0.004737 -0.003195 0.012276 0.006444 0Rh 2dz2 0.001638 0.004555 -0.001089 0.001828 -0.000842 -0.002004 0Rh 2dxz -0.000537 -0.000952 0.000396 0.001950 -0.000228 -0.001410 0Rh 2dyz 0.002605 0.008106 0.001133 0.000129 -0.001194 -0.002617 0Rh 2dx2y2 -0.001240 0.000244 0.001428 -0.003162 -0.000207 0.000781 0Rh 2dxy -0.000144 0.002528 0.000598 -0.001138 0.001769 -0.001215 0Rh 3dz2 -0.014262 -0.004730 0.002134 -0.004540 -0.013328 0.023246 0Rh 3dxz 0.024087 -0.025637 -0.032174 0.003876 0.005637 0.004171 0Rh 3dyz 0.050615 -0.085259 -0.002105 -0.006830 0.014413 0.013601 0Rh 3dx2y2 -0.008421 -0.027866 -0.013654 -0.014993 0.011605 0.010917 0Rh 3dxy 0.020901 -0.019425 -0.015749 0.013799 -0.041389 -0.012460 0Rh 4dz2 0.033820 0.067215 -0.013995 0.025165 -0.012944 -0.032373 0Rh 4dxz -0.005005 -0.012990 0.003864 0.027563 -0.003985 -0.020774 0Rh 4dyz 0.059267 0.123696 0.014951 0.000941 -0.020104 -0.043372 0Rh 4dx2y2 -0.015515 0.005099 0.022296 -0.045151 -0.000756 0.014800 0Rh 4dxy 0.006535 0.039397 0.009428 -0.016204 0.022561 -0.016609 0Rh 5dz2 -0.237621 -0.281900 0.041696 -0.072956 0.096459 0.108162 0Rh 5dxz -0.059363 0.114298 0.058783 -0.106922 0.006846 0.080587 0Rh 5dyz -0.619306 -0.385003 -0.045542 0.025410 0.087092 0.205396 0Rh 5dx2y2 0.047720 0.020794 -0.085478 0.199431 -0.044385 -0.108840 0Rh 5dxy -0.171035 -0.145548 -0.000702 0.029060 0.008099 0.117390 0Rh 1f0 -0.009030 -0.009468 0.066439 0.057402 0.000179 0.010398 0Rh 1f+1 0.130410 -0.030308 0.033887 -0.031484 0.047468 -0.059571 0Rh 1f-1 -0.020507 -0.076679 -0.054155 -0.002543 -0.054561 -0.017852 0Rh 1f+2 -0.056448 -0.016129 0.032060 0.006451 -0.101009 -0.028613 0Rh 1f-2 0.127270 -0.077524 -0.049233 -0.029700 -0.078119 -0.119741 0Rh 1f+3 0.035308 -0.006165 0.019607 -0.055851 0.010304 0.001771 0Rh 1f-3 -0.015355 -0.013056 -0.081005 -0.026739 0.034242 0.051745 1Rh 1s -0.000228 -0.000389 -0.000140 -0.002810 -0.000057 0.002317 1Rh 2s 0.001741 0.002162 0.000658 0.016374 -0.000091 -0.011588 1Rh 3s -0.000284 -0.000977 -0.000423 -0.006594 -0.000395 0.006610 1Rh 4s -0.008922 -0.011054 -0.003355 -0.083533 0.000431 0.059091 1Rh 5s 0.017031 0.017992 0.004873 0.136088 -0.002111 -0.085569 1Rh 6s -0.011603 -0.002910 0.001239 -0.007580 0.004135 -0.050095 1Rh 7s 0.066394 0.082437 -0.029011 -0.013881 0.022148 0.590710 1Rh 8s -0.082512 -0.046116 0.105361 -0.329080 0.091514 -0.021979 1Rh 1pz 0.001505 -0.000911 -0.002851 -0.002582 -0.003947 0.000182 1Rh 1px 0.002881 -0.000154 -0.002794 0.000484 -0.000679 -0.000803 1Rh 1py -0.000223 -0.005175 0.002881 -0.000366 -0.003250 -0.004280 1Rh 2pz -0.004727 0.003201 0.009883 0.009199 0.014608 -0.000414 1Rh 2px -0.010190 0.000496 0.010021 -0.001783 0.002729 0.002171 1Rh 2py 0.000956 0.018346 -0.010744 0.001295 0.011188 0.015166 1Rh 3pz -0.009752 -0.001952 -0.002820 -0.007785 -0.024178 -0.004481 1Rh 3px 0.006619 0.000623 -0.009905 0.002711 -0.008823 0.012638 1Rh 3py -0.004237 -0.013518 0.019704 -0.000632 -0.001341 -0.010786 1Rh 4pz 0.076583 -0.012111 -0.056017 -0.030955 0.001516 0.021186 1Rh 4px 0.045343 -0.006198 -0.027975 0.000237 0.018608 -0.067839 1Rh 4py 0.011221 -0.070973 -0.010575 -0.009041 -0.071959 -0.060512 1Rh 5pz -0.161337 0.005554 0.100727 0.049573 -0.019962 -0.043784 1Rh 5px -0.090455 0.015060 0.046603 0.010728 -0.045516 0.134492 1Rh 5py -0.022179 0.125388 0.039534 0.035909 0.134073 0.094347 1Rh 6pz 0.008516 0.523076 0.175287 0.199077 0.519445 0.439157 1Rh 6px 0.035288 0.004833 0.186172 -0.105559 0.373294 -0.354699 1Rh 6py -0.114253 0.253559 -0.506499 -0.411920 0.131869 1.005393 1Rh 1dz2 -0.002589 -0.006337 -0.000993 -0.001503 -0.006463 -0.005542 1Rh 1dxz 0.007714 0.010868 -0.009890 -0.004716 0.001804 0.000976 1Rh 1dyz 0.023044 0.018571 0.002532 0.002788 0.003700 -0.001114 1Rh 1dx2y2 -0.005431 0.009155 -0.002759 0.010265 0.004631 -0.004919 1Rh 1dxy 0.008049 0.003530 -0.004292 -0.002994 -0.012357 0.006159 1Rh 2dz2 -0.001701 0.004389 0.001250 0.001842 0.001030 -0.002010 1Rh 2dxz 0.000543 -0.000932 -0.000619 0.001936 0.000320 -0.001373 1Rh 2dyz -0.002701 0.007875 -0.000623 0.000060 0.001405 -0.002601 1Rh 2dx2y2 0.001192 0.000288 -0.001066 -0.003189 0.000091 0.000780 1Rh 2dxy 0.000069 0.002478 -0.000306 -0.001089 -0.001746 -0.001270 1Rh 3dz2 0.015211 -0.002250 -0.002720 -0.004009 0.013136 0.024460 1Rh 3dxz -0.023382 -0.025737 0.029812 0.004390 -0.006414 0.003432 1Rh 3dyz -0.049834 -0.086343 -0.004299 -0.007845 -0.016578 0.014925 1Rh 3dx2y2 0.009665 -0.026449 0.012398 -0.014043 -0.012983 0.009920 1Rh 3dxy -0.021863 -0.020930 0.013216 0.013042 0.041508 -0.011443 1Rh 4dz2 -0.034718 0.064607 0.016402 0.025113 0.015682 -0.032196 1Rh 4dxz 0.005124 -0.012786 -0.007019 0.027394 0.005272 -0.020247 1Rh 4dyz -0.060897 0.119651 -0.007158 -0.000303 0.023322 -0.042690 1Rh 4dx2y2 0.014961 0.005763 -0.017127 -0.045604 -0.000909 0.014803 1Rh 4dxy -0.007661 0.038478 -0.005118 -0.015722 -0.022160 -0.017169 1Rh 5dz2 0.239678 -0.273860 -0.052118 -0.071151 -0.106944 0.100821 1Rh 5dxz 0.057719 0.114078 -0.041674 -0.107191 -0.009673 0.079778 1Rh 5dyz 0.626582 -0.360341 0.024368 0.036640 -0.096234 0.192083 1Rh 5dx2y2 -0.049233 0.014610 0.068841 0.200631 0.053722 -0.107224 1Rh 5dxy 0.178348 -0.136071 -0.011001 0.030397 -0.010978 0.114843 1Rh 1f0 -0.011182 0.005050 0.070762 -0.053237 -0.001607 -0.010878 1Rh 1f+1 0.132392 0.028504 0.034121 0.035691 0.048358 0.059035 1Rh 1f-1 -0.020746 0.077475 -0.051465 0.002408 -0.053657 0.019313 1Rh 1f+2 -0.056312 0.015946 0.031446 -0.004765 -0.100087 0.025089 1Rh 1f-2 0.128948 0.084232 -0.042835 0.030005 -0.076665 0.116621 1Rh 1f+3 0.036968 0.005187 0.012961 0.058336 0.012521 -0.001515 1Rh 1f-3 -0.015695 0.016292 -0.084862 0.022014 0.035626 -0.049717 2C 1s 0.003081 0.000925 0.000972 0.000976 0.002044 0.000521 2C 2s 0.016037 0.001528 0.000338 0.003704 0.005898 0.001443 2C 3s -0.146245 -0.075309 -0.090415 0.079721 -0.053870 0.013619 2C 4s 0.169408 0.263032 0.499727 -0.721294 -0.014022 -0.003448 2C 5s -1.790088 -0.445482 0.138301 0.005898 1.260765 -0.824910 2C 1pz 0.006766 -0.080300 -0.060013 0.030494 -0.031807 0.009616 2C 1px 0.082928 0.028700 -0.031268 0.004290 -0.005761 0.067269 2C 1py -0.000516 0.015817 -0.027189 0.022193 -0.017797 0.008359 2C 2pz 0.101271 0.142802 0.779487 -0.733067 -0.128175 -0.269201 2C 2px -0.172248 -0.002368 0.270208 -0.197720 -0.091966 0.102844 2C 2py -0.194823 -0.019759 -0.725600 0.142783 0.155259 0.305219 2C 3pz -0.282159 -0.192165 0.084497 -0.028240 0.261079 -0.252840 2C 3px 0.136728 -0.056317 -0.104404 0.054975 0.092234 0.190956 2C 3py -0.243365 -0.041829 -0.031663 0.033140 0.209223 -0.122207 2C 1dz2 0.023092 0.014601 0.109900 -0.056005 -0.020460 -0.034851 2C 1dxz -0.057627 0.057475 0.094596 -0.012817 0.000813 -0.032591 2C 1dyz -0.002380 0.007492 -0.033410 0.007854 0.005441 0.035497 2C 1dx2y2 0.026548 0.012787 0.077260 -0.045908 -0.015949 -0.022689 2C 1dxy -0.055288 0.015823 -0.036508 0.023869 0.014113 0.021907 2C 2dz2 -0.016248 -0.062118 0.298327 -0.248704 -0.075894 -0.215135 2C 2dxz 0.055927 -0.199420 -0.514959 0.070034 0.016086 0.306687 2C 2dyz -0.075234 0.154664 -0.136845 0.045810 0.061958 0.095485 2C 2dx2y2 -0.035145 0.056808 -0.083180 0.002980 -0.021008 0.341818 2C 2dxy 0.232916 -0.110750 0.739123 -0.541264 -0.225507 -0.060173 2C 1f0 0.041100 0.022980 0.025749 -0.021411 -0.006077 0.024993 2C 1f+1 0.026953 -0.026948 0.053287 -0.054020 -0.035992 0.022251 2C 1f-1 -0.028654 0.007511 0.034342 -0.028576 -0.007147 -0.034285 2C 1f+2 -0.020637 0.009227 0.050848 -0.005202 0.004130 -0.061074 2C 1f-2 -0.097075 0.042561 0.021939 0.012490 0.026227 -0.020195 2C 1f+3 0.022453 0.033123 -0.062154 0.038478 0.014135 0.018277 2C 1f-3 0.076349 -0.024565 -0.036224 -0.007171 -0.024056 0.071437 3C 1s 0.001474 0.000256 0.002134 0.000167 -0.002110 -0.000710 3C 2s 0.001577 0.003329 0.006987 0.002048 -0.002097 -0.001577 3C 3s 0.011843 0.067764 -0.080659 0.112809 0.153304 -0.022668 3C 4s -0.214648 -0.537232 0.106112 -0.846714 -0.794181 0.334348 3C 5s 1.057372 0.304638 0.997744 0.379576 -0.201541 0.514240 3C 1pz -0.032672 -0.045375 -0.029933 0.017912 0.007773 0.004769 3C 1px -0.049484 0.056702 0.014446 0.040481 0.068168 -0.028779 3C 1py 0.008210 -0.062674 0.030408 -0.048853 -0.104627 -0.035642 3C 2pz -0.035173 -0.159301 0.124741 0.128971 0.610289 0.497141 3C 2px 0.332844 -0.120648 -0.020257 -0.056969 0.082676 0.059127 3C 2py 0.314590 0.299665 0.038805 0.787378 0.913131 0.006192 3C 3pz 0.060278 -0.122765 0.099786 0.033063 -0.091154 0.099678 3C 3px 0.135714 0.192493 0.121818 0.112920 0.110911 -0.017872 3C 3py -0.175873 -0.155280 -0.268871 -0.084457 0.055344 -0.213042 3C 1dz2 -0.003733 0.030084 0.009476 0.038770 0.082186 0.035309 3C 1dxz 0.070951 -0.011197 -0.001171 0.037127 0.044707 0.011122 3C 1dyz -0.003749 -0.014283 -0.002873 -0.005281 -0.059013 -0.049630 3C 1dx2y2 0.034809 0.020881 0.007084 0.054968 0.125165 0.042021 3C 1dxy -0.036450 0.039600 -0.002511 0.008692 0.058880 0.039624 3C 2dz2 0.052128 -0.210539 0.155773 0.555783 0.590576 0.123441 3C 2dxz -0.252767 -0.055547 -0.042651 -0.182650 -0.228262 0.099136 3C 2dyz 0.039975 0.135485 -0.021275 0.148631 0.375137 0.180523 3C 2dx2y2 0.010140 0.086253 0.008814 -0.057888 -0.247905 -0.263269 3C 2dxy -0.014159 -0.020676 -0.071014 -0.116940 -0.462848 -0.196226 3C 1f0 0.036036 0.072374 -0.009037 -0.027171 -0.028465 -0.003002 3C 1f+1 0.004519 0.052925 0.002689 0.015241 0.050264 -0.004840 3C 1f-1 0.002449 -0.040058 0.003511 -0.019289 -0.078672 -0.045695 3C 1f+2 -0.007549 0.043220 0.001628 0.032909 0.062481 -0.014733 3C 1f-2 -0.032126 -0.000900 -0.003822 -0.005165 -0.018565 -0.002737 3C 1f+3 0.032340 0.018979 -0.022296 -0.054032 -0.058042 0.003106 3C 1f-3 0.042422 -0.060212 0.009276 0.033664 -0.004132 0.014053 4C 1s 0.005179 -0.007214 -0.003181 -0.000254 -0.001528 0.005590 4C 2s 0.019261 -0.027752 -0.013941 0.000460 -0.004834 0.019466 4C 3s -0.042694 0.173929 0.229767 -0.137975 0.084475 -0.248239 4C 4s -0.676276 0.441184 -0.525507 0.815060 -0.012733 0.407074 4C 5s 0.543548 1.071071 -0.021987 0.175518 0.110966 0.112432 4C 1pz -0.116070 0.097632 0.077480 0.024483 0.057852 -0.097131 4C 1px -0.013394 -0.058369 0.026758 -0.012161 0.020899 -0.071524 4C 1py -0.060515 0.029208 -0.020361 0.076516 0.066934 -0.055149 4C 2pz 0.268544 0.209316 -0.103653 -0.247239 -0.157366 0.335040 4C 2px -0.695523 -0.032775 0.018387 0.039774 -0.019676 -0.119703 4C 2py -0.119749 0.076304 0.291253 -0.400869 -0.236657 0.083702 4C 3pz -0.482983 -0.163106 0.125594 -0.012050 1.159970 -0.461542 4C 3px 0.002031 -0.275159 0.191005 -0.082059 0.186028 -0.648215 4C 3py -0.271516 -0.261472 -0.277281 0.226443 0.792396 -0.341816 4C 1dz2 -0.033177 0.022078 -0.045589 0.026333 0.008180 0.025564 4C 1dxz -0.019167 0.033462 -0.008328 0.017508 -0.007381 0.000278 4C 1dyz -0.011095 0.013616 0.062393 -0.060155 -0.007547 0.013112 4C 1dx2y2 0.028832 -0.031326 -0.067133 0.028117 0.016569 0.019315 4C 1dxy 0.030666 -0.008099 -0.004006 0.006227 0.018196 -0.002926 4C 2dz2 0.348690 0.030063 0.187369 0.070985 0.031092 -0.170043 4C 2dxz 0.051719 -0.206555 0.179957 -0.065127 -0.031336 0.060050 4C 2dyz 0.199398 -0.038189 -0.294756 0.381755 0.090301 0.039639 4C 2dx2y2 -0.179979 0.031844 0.375838 -0.405901 -0.169666 -0.023629 4C 2dxy -0.298890 -0.122516 -0.320638 0.106327 -0.016990 0.259565 4C 1f0 0.019754 -0.008317 0.140596 -0.087636 -0.027781 -0.060790 4C 1f+1 0.034497 0.011272 0.089150 -0.057609 0.004541 -0.026339 4C 1f-1 0.006531 0.005255 0.025974 -0.004055 0.012284 -0.047485 4C 1f+2 -0.006630 0.032864 0.135463 -0.056036 -0.043590 -0.012501 4C 1f-2 -0.015772 -0.000532 0.010371 0.005738 -0.001407 0.014715 4C 1f+3 -0.014722 0.010396 -0.054934 0.024516 0.001842 0.019838 4C 1f-3 0.017291 0.007115 -0.049440 0.026678 0.029613 0.034291 5C 1s 0.004730 0.008876 -0.001078 -0.001391 0.003047 -0.002278 5C 2s 0.014645 0.032996 -0.003045 -0.001867 0.015566 -0.005635 5C 3s -0.092599 -0.188029 0.120988 -0.100188 -0.323796 0.118594 5C 4s 0.075238 -0.469460 -0.350777 0.639436 0.911605 -0.747285 5C 5s -0.678352 -1.013815 0.097410 0.045720 0.193295 -0.141536 5C 1pz 0.025436 -0.006869 0.044891 0.086991 0.015225 -0.010440 5C 1px -0.000947 -0.105273 0.019702 0.016877 -0.008794 0.059715 5C 1py -0.020756 0.050610 -0.043057 -0.032009 0.092010 0.055591 5C 2pz -0.307547 -0.229000 -0.157402 -0.435699 -0.199371 0.018932 5C 2px 0.514473 -0.054581 -0.195288 -0.302818 -0.311653 -0.128019 5C 2py 0.318227 0.431933 0.122672 0.316013 -0.099298 -0.165592 5C 3pz 0.411264 0.234692 0.658609 0.423342 0.325834 0.422921 5C 3px -0.035267 -0.061144 0.414843 0.097829 0.038928 0.532111 5C 3py -0.457103 -0.205276 -1.043726 -0.246549 0.157591 -0.462737 5C 1dz2 -0.007431 -0.000820 -0.015297 -0.041230 -0.062529 -0.029212 5C 1dxz -0.019332 -0.035556 -0.028053 -0.030396 -0.052908 -0.026856 5C 1dyz -0.027001 0.003638 -0.002772 0.061032 0.067207 -0.010400 5C 1dx2y2 -0.034266 0.050580 0.011143 -0.006189 0.004412 -0.008194 5C 1dxy 0.012143 0.027005 -0.007962 0.023179 0.034659 -0.008548 5C 2dz2 -0.080782 0.003704 0.108832 0.182381 0.093988 0.016467 5C 2dxz 0.402088 0.220120 0.108003 0.334875 0.351881 -0.048321 5C 2dyz 0.019439 -0.070714 -0.077642 -0.444338 -0.473336 0.011674 5C 2dx2y2 0.040785 -0.311294 -0.116206 -0.129755 0.158067 0.274139 5C 2dxy -0.275269 -0.272833 0.033321 -0.033184 0.004976 0.158944 5C 1f0 -0.003516 0.005070 -0.010432 -0.018983 -0.014424 0.003207 5C 1f+1 0.011084 0.008465 0.036020 0.045579 0.067191 0.025432 5C 1f-1 -0.012271 -0.012281 -0.021403 -0.092267 -0.170179 -0.068409 5C 1f+2 0.013819 -0.009054 -0.000784 -0.007677 0.018438 -0.010291 5C 1f-2 -0.038499 -0.010068 -0.036572 -0.041226 -0.084862 -0.041461 5C 1f+3 -0.005140 -0.004453 0.008501 -0.021176 -0.050850 -0.034383 5C 1f-3 0.019464 -0.022600 -0.013455 0.063610 0.082287 0.011552 6C 1s -0.004849 0.008840 0.001582 -0.001323 -0.002960 -0.002420 6C 2s -0.015033 0.032972 0.004954 -0.001614 -0.015068 -0.006287 6C 3s 0.099770 -0.182756 -0.126752 -0.106638 0.312029 0.134360 6C 4s -0.106549 -0.496066 0.276676 0.648368 -0.870488 -0.798730 6C 5s 0.700425 -1.010699 -0.170688 0.051450 -0.208103 -0.147786 6C 1pz 0.027069 0.004847 0.051262 -0.084521 0.013338 0.009426 6C 1px -0.003147 0.105613 0.026538 -0.014767 -0.006088 -0.060108 6C 1py -0.021913 -0.050331 -0.050916 0.027414 0.093559 -0.052547 6C 2pz -0.308689 0.238022 -0.173596 0.426440 -0.182889 -0.017773 6C 2px 0.516270 0.068456 -0.205250 0.303502 -0.308743 0.114802 6C 2py 0.320694 -0.429106 0.128013 -0.303489 -0.122783 0.163040 6C 3pz 0.417220 -0.265106 0.659130 -0.375949 0.315637 -0.433436 6C 3px -0.040328 0.035376 0.417219 -0.071669 0.040508 -0.536144 6C 3py -0.465911 0.254086 -1.035707 0.167062 0.169173 0.492311 6C 1dz2 0.007401 -0.003942 0.015162 -0.041458 0.062472 -0.028062 6C 1dxz 0.019112 -0.037320 0.025820 -0.029232 0.051490 -0.026343 6C 1dyz 0.026717 0.004094 0.001046 0.062444 -0.064537 -0.013466 6C 1dx2y2 0.034546 0.050117 -0.008482 -0.006320 -0.002590 -0.009770 6C 1dxy -0.012029 0.027902 0.008775 0.024030 -0.033578 -0.009123 6C 2dz2 0.080757 0.016155 -0.120252 0.181038 -0.091968 0.014060 6C 2dxz -0.399988 0.225725 -0.119471 0.332161 -0.347331 -0.045398 6C 2dyz -0.018327 -0.076944 0.100675 -0.446047 0.457129 0.029510 6C 2dx2y2 -0.041971 -0.308334 0.129976 -0.125684 -0.172491 0.279843 6C 2dxy 0.276433 -0.282040 -0.038564 -0.027427 -0.016313 0.152912 6C 1f0 -0.003332 -0.004723 -0.011695 0.018493 -0.013756 -0.003184 6C 1f+1 0.011233 -0.010453 0.037032 -0.045173 0.067531 -0.025159 6C 1f-1 -0.012056 0.015771 -0.022109 0.094158 -0.168853 0.064427 6C 1f+2 0.012913 0.009137 -0.000319 0.007319 0.019273 0.009743 6C 1f-2 -0.037447 0.013151 -0.036707 0.040373 -0.085343 0.041517 6C 1f+3 -0.005720 0.004601 0.009079 0.022425 -0.050641 0.033261 6C 1f-3 0.019593 0.022375 -0.009858 -0.065435 0.081627 -0.010089 7C 1s -0.004869 -0.007372 0.002844 -0.000250 0.001335 0.005561 7C 2s -0.018266 -0.028403 0.012243 0.000485 0.004164 0.019260 7C 3s 0.036982 0.185910 -0.203487 -0.138330 -0.082858 -0.242781 7C 4s 0.670115 0.421888 0.474476 0.817766 0.039769 0.383174 7C 5s -0.567580 1.061587 0.064179 0.163084 -0.078876 0.111957 7C 1pz -0.115645 -0.103697 0.073963 -0.023817 0.054097 0.098292 7C 1px -0.011507 0.055909 0.030337 0.013522 0.020746 0.070145 7C 1py -0.060296 -0.030996 -0.017516 -0.080058 0.064405 0.057070 7C 2pz 0.285771 -0.182485 -0.148729 0.247993 -0.149316 -0.349348 7C 2px -0.697984 0.037541 0.015002 -0.055546 -0.014498 0.131325 7C 2py -0.116473 -0.081084 0.251224 0.415896 -0.225532 -0.093954 7C 3pz -0.481879 0.143813 0.153771 0.011871 1.157563 0.484628 7C 3px 0.010469 0.265997 0.208913 0.089136 0.184682 0.641306 7C 3py -0.274776 0.260700 -0.237242 -0.249232 0.794178 0.365538 7C 1dz2 0.031128 0.017466 0.046880 0.030301 -0.008682 0.025066 7C 1dxz 0.018095 0.032645 0.010058 0.018749 0.007913 0.001146 7C 1dyz 0.012927 0.016798 -0.054399 -0.062304 0.006204 0.014746 7C 1dx2y2 -0.029974 -0.034593 0.061422 0.030842 -0.017037 0.018198 7C 1dxy -0.030485 -0.008540 0.003780 0.006707 -0.018322 -0.003011 7C 2dz2 -0.334909 0.059481 -0.199620 0.054870 -0.020797 -0.168338 7C 2dxz -0.038019 -0.200968 -0.192763 -0.079533 0.029427 0.054839 7C 2dyz -0.195408 -0.050573 0.250809 0.386129 -0.078167 0.030039 7C 2dx2y2 0.175061 0.037394 -0.351896 -0.432929 0.161188 -0.014312 7C 2dxy 0.295234 -0.139570 0.306889 0.123920 0.011407 0.247064 7C 1f0 0.018477 0.002282 0.134909 0.096030 -0.027832 0.056756 7C 1f+1 0.033885 -0.015727 0.084934 0.062945 0.004601 0.024830 7C 1f-1 0.006842 -0.007099 0.028287 0.006839 0.010972 0.047558 7C 1f+2 -0.007462 -0.038236 0.129606 0.064167 -0.044247 0.009239 7C 1f-2 -0.015732 -0.000349 0.011572 -0.004612 -0.001626 -0.013572 7C 1f+3 -0.014196 -0.008425 -0.053171 -0.027741 0.001626 -0.018058 7C 1f-3 0.017021 -0.006154 -0.049964 -0.030402 0.030053 -0.032987 8C 1s -0.001451 0.000349 -0.002334 0.000008 0.002059 -0.000587 8C 2s -0.001399 0.003712 -0.007480 0.001661 0.002053 -0.001358 8C 3s -0.015098 0.062782 0.083270 0.117484 -0.144721 -0.030438 8C 4s 0.226364 -0.526810 -0.085668 -0.853622 0.741998 0.369663 8C 5s -1.091118 0.338967 -0.979008 0.285503 0.220453 0.548666 8C 1pz -0.033031 0.045190 -0.028830 -0.019194 0.006872 -0.003178 8C 1px -0.048650 -0.060261 0.012674 -0.042276 0.066436 0.030212 8C 1py 0.008660 0.060202 0.033884 0.051367 -0.100620 0.031341 8C 2pz -0.035860 0.144296 0.115988 -0.139086 0.625889 -0.487666 8C 2px 0.327653 0.118251 -0.022448 0.058019 0.094822 -0.072049 8C 2py 0.317986 -0.305887 0.064667 -0.794959 0.885337 0.017701 8C 3pz 0.063606 0.116742 0.101920 -0.023793 -0.088784 -0.105833 8C 3px 0.139590 -0.205211 0.116200 -0.106261 0.107256 0.014748 8C 3py -0.180188 0.164486 -0.260301 0.060691 0.061909 0.220060 8C 1dz2 0.003169 0.032136 -0.007482 0.040011 -0.080745 0.033109 8C 1dxz -0.070485 -0.012952 -0.001623 0.037793 -0.045676 0.011245 8C 1dyz 0.003884 -0.015540 0.000747 -0.006635 0.060068 -0.048640 8C 1dx2y2 -0.033994 0.020648 -0.006219 0.056552 -0.123843 0.039078 8C 1dxy 0.036125 0.041057 0.006541 0.010427 -0.058830 0.037429 8C 2dz2 -0.048360 -0.188516 -0.188620 0.553897 -0.584266 0.117288 8C 2dxz 0.252148 -0.049644 0.055537 -0.193801 0.240202 0.092981 8C 2dyz -0.040364 0.139152 0.031093 0.150808 -0.363761 0.168423 8C 2dx2y2 -0.013901 0.091329 -0.014019 -0.061037 0.242986 -0.249767 8C 2dxy 0.012628 -0.041201 0.059608 -0.123832 0.474917 -0.201854 8C 1f0 0.036554 -0.069741 -0.012862 0.027418 -0.029122 0.003067 8C 1f+1 0.004129 -0.055044 0.000106 -0.017322 0.051443 0.004635 8C 1f-1 0.002996 0.039650 0.006673 0.020532 -0.077465 0.042808 8C 1f+2 -0.008328 -0.043575 0.001182 -0.034605 0.060857 0.016088 8C 1f-2 -0.032780 0.001660 -0.003720 0.005487 -0.019225 0.004076 8C 1f+3 0.031246 -0.014586 -0.024832 0.054217 -0.056970 -0.003565 8C 1f-3 0.042343 0.061811 0.013951 -0.031499 -0.004964 -0.013903 9C 1s -0.003023 0.001016 -0.000857 0.000951 -0.001977 0.000525 9C 2s -0.015918 0.001685 -0.000296 0.003599 -0.005641 0.001422 9C 3s 0.147406 -0.077467 0.072275 0.081654 0.053610 0.009588 9C 4s -0.184554 0.262557 -0.395237 -0.730096 -0.002546 0.022883 9C 5s 1.800954 -0.407983 -0.174305 0.031304 -1.276056 -0.857005 9C 1pz 0.004393 0.080652 -0.048742 -0.030695 -0.031516 -0.007692 9C 1px 0.080607 -0.028725 -0.031255 -0.003464 -0.005758 -0.066428 9C 1py 0.005575 -0.010116 -0.023695 -0.021888 -0.018476 -0.008587 9C 2pz 0.108755 -0.163174 0.707878 0.772550 -0.118523 0.240209 9C 2px -0.172305 -0.003375 0.256397 0.212395 -0.089134 -0.100372 9C 2py -0.180450 0.054439 -0.730001 -0.195728 0.169002 -0.288657 9C 3pz -0.287827 0.178672 0.098162 0.028338 0.262521 0.257673 9C 3px 0.131304 0.059219 -0.093224 -0.054991 0.092398 -0.184913 9C 3py -0.233082 0.048306 -0.026924 -0.041559 0.213027 0.125239 9C 1dz2 -0.023235 0.016641 -0.103328 -0.062488 0.021300 -0.030737 9C 1dxz 0.057782 0.061530 -0.090055 -0.016747 0.001143 -0.032301 9C 1dyz 0.003021 0.006518 0.033203 0.009854 -0.006321 0.034458 9C 1dx2y2 -0.027599 0.014170 -0.075751 -0.052545 0.016751 -0.020792 9C 1dxy 0.055179 0.017673 0.036613 0.027681 -0.014361 0.019417 9C 2dz2 0.025914 -0.029197 -0.293665 -0.263272 0.071126 -0.212561 9C 2dxz -0.066397 -0.235731 0.494660 0.092887 -0.026490 0.292618 9C 2dyz 0.063650 0.135512 0.161739 0.063266 -0.063184 0.095970 9C 2dx2y2 0.047947 0.066735 0.114628 0.029336 0.008768 0.334822 9C 2dxy -0.213956 -0.075619 -0.706417 -0.591216 0.219310 -0.029618 9C 1f0 0.042819 -0.019090 0.021370 0.023136 -0.005551 -0.025948 9C 1f+1 0.023645 0.021055 0.050115 0.057433 -0.034489 -0.024878 9C 1f-1 -0.027318 -0.009268 0.031982 0.030705 -0.007531 0.032589 9C 1f+2 -0.017444 -0.011944 0.050637 0.008448 0.001644 0.059613 9C 1f-2 -0.094751 -0.041952 0.019157 -0.013888 0.025302 0.022019 9C 1f+3 0.024146 -0.027550 -0.059850 -0.041726 0.013819 -0.014545 9C 1f-3 0.076513 0.025752 -0.037291 0.005965 -0.022506 -0.072364 10H 1s 0.141493 -0.057138 -0.036633 -0.075366 -0.051700 0.184101 10H 2s 0.024158 -0.138725 -0.128100 0.083624 0.067688 -0.418932 10H 3s 0.202746 0.000782 0.048738 -0.083047 -0.142716 0.100543 10H 1pz 0.014171 -0.080384 0.166861 -0.055941 -0.018590 -0.271124 10H 1px -0.038062 0.090873 0.101326 -0.000879 0.004459 -0.048839 10H 1py -0.073945 0.104406 -0.332141 0.297882 0.134897 -0.066097 11H 1s -0.178526 0.134456 0.072561 0.067741 0.072156 -0.124031 11H 2s 0.485598 -0.143084 0.846921 -0.551927 -0.317419 -0.098323 11H 3s 0.202895 0.007839 -0.088969 0.120286 0.028601 0.048970 11H 1pz 0.105218 -0.121756 0.418063 -0.261842 -0.128203 -0.132801 11H 1px 0.094092 0.081351 0.076262 -0.059631 -0.034077 0.163200 11H 1py 0.027997 -0.002552 -0.060398 -0.042197 -0.020372 0.160558 12H 1s -0.161881 -0.076750 0.039703 -0.018281 0.000717 -0.068187 12H 2s 0.073103 0.093642 -1.055096 0.549365 0.177002 0.530034 12H 3s 0.163762 -0.060623 0.037376 -0.013938 -0.056818 -0.001207 12H 1pz 0.027245 0.022506 -0.186720 0.116602 0.048371 0.108350 12H 1px 0.067462 0.007987 0.003047 -0.094765 -0.059109 0.242297 12H 1py -0.077748 0.022215 -0.482839 0.297371 0.112896 0.134403 13H 1s -0.026224 0.148153 0.007727 -0.044696 0.064578 0.005420 13H 2s -0.295803 -0.169189 -0.010326 0.101892 0.236854 0.337902 13H 3s -0.149414 -0.008080 -0.060061 -0.092040 -0.053691 0.004124 13H 1pz -0.085686 -0.122569 0.082316 0.272607 0.319353 0.127378 13H 1px 0.040578 -0.083778 0.067473 0.182182 0.094808 -0.054128 13H 1py 0.044073 -0.007650 0.053579 0.069084 0.146429 -0.033073 14H 1s 0.151870 0.016229 -0.045107 -0.054914 -0.069862 0.049797 14H 2s 0.072614 0.009665 0.149437 0.586954 1.032364 0.135858 14H 3s 0.000331 0.058963 -0.079656 -0.055811 -0.064972 0.003297 14H 1pz 0.027807 -0.121487 0.077837 0.328507 0.390937 0.115914 14H 1px 0.083678 0.101801 0.014666 0.075671 0.227913 0.003113 14H 1py 0.006819 -0.021541 -0.061985 -0.118863 -0.180447 -0.007714 15H 1s -0.020428 -0.212595 0.038599 0.051529 -0.127696 -0.069307 15H 2s -0.125409 0.399536 -0.155273 -0.511351 -0.703826 -0.370908 15H 3s -0.081559 0.003207 0.072048 0.111981 0.090469 0.037061 15H 1pz 0.017620 0.030388 -0.031563 -0.054299 0.037641 0.079769 15H 1px -0.011163 0.084031 0.045522 0.002900 0.061877 -0.082352 15H 1py 0.028100 -0.141506 0.093184 0.266078 0.370804 0.111245 16H 1s -0.303942 0.261446 0.043532 0.009217 0.033001 -0.137446 16H 2s 0.985152 -0.838459 -0.102285 -0.054200 -0.065994 0.506628 16H 3s -0.436404 0.329671 0.091165 -0.040658 0.049187 -0.044982 16H 1pz 0.392905 -0.321687 -0.016630 -0.076471 0.008956 0.243079 16H 1px -0.082529 0.144249 0.065200 -0.078470 0.054960 0.235149 16H 1py 0.176754 -0.147519 -0.059052 0.081057 -0.028438 -0.246318 17H 1s 0.225622 -0.287093 -0.043475 0.008681 -0.004593 -0.137494 17H 2s -0.750618 0.933376 0.165981 -0.072739 0.064055 0.485719 17H 3s 0.339243 -0.380481 -0.024128 -0.022528 0.009805 -0.046841 17H 1pz 0.167278 -0.137223 -0.085573 0.137909 -0.064672 -0.360124 17H 1px 0.273799 -0.319130 -0.035645 -0.007817 -0.002643 0.013627 17H 1py -0.237013 0.203853 -0.002609 0.053081 -0.005638 -0.197490 18H 1s -0.225285 -0.287847 0.023203 0.007243 0.000072 -0.139195 18H 2s 0.752266 0.943704 -0.099598 -0.069182 -0.054221 0.492380 18H 3s -0.338547 -0.376810 0.002206 -0.024965 -0.017498 -0.046082 18H 1pz 0.180277 0.155250 -0.065221 -0.137966 -0.072077 0.362370 18H 1px 0.271769 0.320764 -0.016366 0.010742 0.003754 -0.017096 18H 1py -0.230221 -0.194804 -0.009433 -0.057656 -0.012196 0.210358 19H 1s 0.303230 0.262153 -0.029007 0.010947 -0.028708 -0.140539 19H 2s -0.980352 -0.837104 0.059289 -0.060314 0.050868 0.516654 19H 3s 0.435891 0.335770 -0.068593 -0.038936 -0.046991 -0.045401 19H 1pz 0.385194 0.313893 -0.004854 0.080785 0.018764 -0.252880 19H 1px -0.090357 -0.154721 0.048597 0.079119 0.058397 -0.240260 19H 1py 0.187721 0.160526 -0.041095 -0.077950 -0.030830 0.242309 20H 1s 0.018742 -0.206474 -0.054407 0.045731 0.126921 -0.065111 20H 2s 0.127912 0.375064 0.183438 -0.513253 0.707047 -0.360341 20H 3s 0.084817 0.014150 -0.079072 0.110712 -0.087245 0.033987 20H 1pz 0.017537 -0.026924 -0.039201 0.050353 0.039957 -0.076508 20H 1px -0.011057 -0.090850 0.041049 -0.003279 0.062573 0.077303 20H 1py 0.027654 0.126296 0.108055 -0.268120 0.372791 -0.108048 21H 1s -0.151524 0.001679 0.046993 -0.055613 0.069535 0.048501 21H 2s -0.068618 0.042372 -0.161797 0.601816 -1.033749 0.127067 21H 3s 0.003543 0.051848 0.081558 -0.050064 0.063427 0.001364 21H 1pz 0.026709 0.105606 0.093860 -0.328788 0.388374 -0.110153 21H 1px 0.083190 -0.105425 0.009490 -0.079919 0.228746 -0.002806 21H 1py 0.007671 0.032525 -0.065624 0.119281 -0.181007 0.010709 22H 1s 0.023996 0.155098 0.005227 -0.042100 -0.066281 0.007508 22H 2s 0.298604 -0.171938 0.011137 0.102786 -0.225291 0.313713 22H 3s 0.152456 -0.007006 0.064105 -0.085126 0.048490 0.007217 22H 1pz -0.085939 0.109346 0.095881 -0.273096 0.314963 -0.119365 22H 1px 0.040381 0.076327 0.083593 -0.178033 0.090677 0.053635 22H 1py 0.044659 -0.004669 0.054994 -0.070012 0.151750 0.026443 23H 1s 0.171500 -0.058785 -0.040643 -0.014389 -0.003337 -0.069828 23H 2s -0.100933 0.029038 1.026249 0.610751 -0.178844 0.499345 23H 3s -0.161849 -0.054925 -0.039307 -0.016624 0.056651 0.002265 23H 1pz 0.032827 -0.004246 -0.180333 -0.124568 0.046005 -0.103330 23H 1px 0.061362 -0.016082 -0.003572 0.096996 -0.053071 -0.238983 23H 1py -0.063282 0.008025 -0.464479 -0.325149 0.110949 -0.124025 24H 1s 0.167266 0.125879 -0.068087 0.067284 -0.066282 -0.123382 24H 2s -0.453623 -0.089552 -0.825564 -0.615069 0.316020 -0.075571 24H 3s -0.206956 -0.003425 0.077775 0.119793 -0.022295 0.047227 24H 1pz 0.089527 0.092398 0.412748 0.289530 -0.125671 0.124482 24H 1px 0.092905 -0.080618 0.069243 0.068519 -0.034881 -0.161791 24H 1py 0.029480 0.002467 -0.062177 0.039630 -0.015872 -0.159581 25H 1s -0.138123 -0.063265 0.039809 -0.077404 0.046094 0.185835 25H 2s -0.036448 -0.144029 0.095334 0.082353 -0.061066 -0.417339 25H 3s -0.203909 -0.003643 -0.038825 -0.087954 0.140823 0.107485 25H 1pz 0.008669 0.062646 0.175827 0.067611 -0.021212 0.266765 25H 1px -0.041877 -0.099078 0.098564 0.007486 0.000269 0.049849 25H 1py -0.058172 -0.077997 -0.313912 -0.316519 0.126188 0.073740 26O 1s 0.000388 0.000374 -0.001705 -0.002146 -0.005358 -0.001450 26O 2s -0.000143 0.004218 -0.003619 -0.007017 -0.016793 -0.004231 26O 3s 0.002621 -0.067841 -0.008233 0.036893 0.069385 0.027967 26O 4s -0.071804 0.285276 0.168732 0.028885 0.140408 -0.099353 26O 5s 1.543861 -0.434915 -0.243442 0.014517 -0.432726 -0.119066 26O 1pz 0.054483 -0.081070 -0.061238 -0.037629 -0.022355 0.014797 26O 1px -0.006123 -0.016039 -0.051353 0.051314 0.061813 -0.019177 26O 1py 0.072532 -0.042177 0.088117 -0.046791 -0.011709 -0.008881 26O 2pz -0.151447 0.120116 0.055355 0.041355 0.021865 0.003282 26O 2px -0.157113 -0.034528 -0.016848 -0.075751 -0.161139 0.151543 26O 2py -0.168521 0.049324 -0.068907 0.023549 -0.027004 0.047772 26O 3pz 0.207347 0.127373 -0.089283 0.036710 -0.118160 -0.415175 26O 3px -0.638069 0.223120 -0.059012 0.225036 0.276573 -0.333764 26O 3py -0.007175 0.180268 0.359130 -0.182350 -0.000987 -0.438313 26O 1dz2 0.001692 0.000314 -0.004767 0.003738 0.002318 -0.005542 26O 1dxz -0.000272 -0.002597 -0.003412 0.001019 0.002577 -0.001702 26O 1dyz 0.004497 -0.003453 0.000790 -0.001026 0.001889 -0.008271 26O 1dx2y2 0.003436 -0.001142 -0.003098 -0.000702 0.000109 0.005098 26O 1dxy 0.002455 -0.002707 -0.003114 0.001920 0.001692 0.003166 26O 2dz2 -0.039642 0.067292 -0.094577 0.120762 0.048660 -0.088027 26O 2dxz 0.180272 -0.006221 -0.021574 0.056281 0.015494 0.023769 26O 2dyz 0.169708 0.026555 0.082974 -0.036162 -0.008613 -0.101056 26O 2dx2y2 0.140257 -0.056509 0.090415 -0.123285 -0.045879 0.026844 26O 2dxy 0.163107 -0.064556 -0.235375 0.109572 0.010649 0.138886 26O 1f0 -0.002140 -0.000117 0.001101 0.001100 0.001606 0.000145 26O 1f+1 -0.003307 0.003707 -0.004898 0.003774 0.003457 0.001058 26O 1f-1 -0.004806 0.006663 -0.003527 0.005523 0.000198 -0.000489 26O 1f+2 0.002565 -0.003329 -0.005948 0.002475 -0.000807 0.002604 26O 1f-2 -0.001692 0.002235 0.006987 -0.004273 -0.004212 0.001156 26O 1f+3 0.002593 0.001788 0.007308 -0.001517 0.001107 -0.004296 26O 1f-3 0.000407 0.003092 0.008733 -0.004428 0.003891 -0.008812 27O 1s -0.004974 -0.000352 -0.004423 -0.001511 0.003318 0.003860 27O 2s -0.014728 -0.002981 -0.013877 -0.004847 0.008506 0.011057 27O 3s 0.067396 0.035746 0.052149 0.017995 -0.016783 -0.039670 27O 4s 0.038131 -0.119099 0.140141 0.085868 -0.146016 -0.120285 27O 5s -0.723950 0.662415 -0.154502 0.003998 0.259825 0.208128 27O 1pz -0.091875 0.033796 -0.034007 -0.045342 -0.065970 0.007184 27O 1px 0.008215 -0.019396 0.037221 0.028287 0.008403 0.002749 27O 1py 0.045605 -0.051500 -0.006104 0.033669 -0.065503 -0.065281 27O 2pz 0.091697 -0.061301 0.014650 0.033224 0.023538 -0.015014 27O 2px 0.074854 -0.005933 -0.173617 -0.102240 0.039851 0.023450 27O 2py -0.092237 0.098899 0.023554 -0.025683 0.058402 0.053433 27O 3pz -0.515732 -0.127079 -0.020229 -0.233894 -0.266313 0.092328 27O 3px 0.199989 -0.567943 0.127951 -0.014869 -0.136488 -0.140940 27O 3py 0.399946 0.422285 0.102419 -0.005407 -0.119396 -0.159490 27O 1dz2 0.000173 -0.005909 0.000175 -0.003186 -0.006730 -0.001841 27O 1dxz 0.001531 0.002165 0.001096 0.003330 0.000204 0.000988 27O 1dyz 0.005700 -0.000128 -0.003334 0.000131 -0.000086 -0.001636 27O 1dx2y2 0.001052 0.003907 0.001635 -0.002827 -0.002913 -0.003052 27O 1dxy 0.001563 -0.008310 -0.002804 -0.001284 -0.003719 -0.000526 27O 2dz2 0.026472 -0.120786 -0.008386 -0.103535 -0.174657 -0.051621 27O 2dxz 0.161511 0.029467 0.039001 0.166499 0.186553 0.004808 27O 2dyz 0.098065 0.065186 -0.021785 0.026233 0.038899 -0.023825 27O 2dx2y2 -0.014469 0.212141 0.020746 -0.064620 -0.017213 0.003554 27O 2dxy 0.027023 -0.160333 -0.025368 -0.017865 0.008640 0.079251 27O 1f0 0.001359 0.003104 0.003608 -0.000919 0.004897 0.002674 27O 1f+1 -0.002621 -0.004604 0.001529 -0.006062 -0.012508 -0.001880 27O 1f-1 0.001051 0.000848 -0.000014 -0.002308 -0.002061 -0.000315 27O 1f+2 -0.003451 -0.000322 0.000265 -0.003695 -0.002182 0.000305 27O 1f-2 -0.000949 0.005231 0.004542 0.006190 0.008961 0.004369 27O 1f+3 0.000747 -0.009429 0.005173 0.004165 0.001494 0.004043 27O 1f-3 -0.000753 0.003062 -0.003825 -0.005488 -0.002133 0.000161 28O 1s -0.002613 0.001309 -0.001464 -0.001288 -0.003687 0.001565 28O 2s -0.008747 0.004319 -0.003170 -0.004609 -0.011929 0.003585 28O 3s 0.042041 -0.017260 -0.002157 0.029991 0.054787 0.004236 28O 4s 0.077768 -0.043135 0.063280 -0.007688 0.039810 -0.063688 28O 5s -0.534374 -0.393598 0.009072 -0.014421 -0.286361 -0.054250 28O 1pz -0.013525 0.002248 0.051529 -0.064571 0.001470 0.007020 28O 1px -0.053861 -0.057850 0.054418 -0.077614 -0.052752 -0.001084 28O 1py -0.087173 -0.042513 -0.110896 0.049749 -0.007120 0.108301 28O 2pz 0.085285 -0.019211 -0.084020 0.017928 -0.057021 0.039447 28O 2px 0.024900 0.015639 -0.028006 0.090250 0.111222 -0.032488 28O 2py 0.091277 0.011729 0.080852 -0.068970 -0.022329 -0.086000 28O 3pz -0.563068 0.768079 0.072264 0.042310 0.156687 0.122996 28O 3px -0.393135 -0.347797 0.049042 -0.161683 -0.293278 0.043582 28O 3py -0.470935 0.368721 0.089056 0.013223 0.115073 0.054315 28O 1dz2 0.001386 -0.002482 -0.003278 0.001538 -0.000598 0.000646 28O 1dxz -0.006427 0.007447 0.001134 0.001826 -0.001941 -0.001019 28O 1dyz 0.000024 0.002142 -0.003958 0.004927 0.004916 0.002794 28O 1dx2y2 -0.001818 -0.005805 0.000584 -0.003538 -0.001961 -0.002608 28O 1dxy -0.005065 0.003546 0.001917 -0.002816 0.000771 -0.002677 28O 2dz2 0.012322 0.011685 -0.162603 0.153054 0.049680 -0.021304 28O 2dxz -0.070781 0.248784 -0.034525 0.062393 0.012308 0.036715 28O 2dyz -0.014901 0.104295 0.071294 0.030826 0.068302 -0.093185 28O 2dx2y2 -0.114553 -0.175986 -0.063660 -0.057055 -0.046504 0.044557 28O 2dxy -0.152109 0.077170 0.021163 -0.056608 0.009630 0.026555 28O 1f0 -0.000669 0.001766 -0.002530 0.002873 0.003255 0.001109 28O 1f+1 0.000342 0.000641 0.005484 -0.001670 0.002443 -0.005686 28O 1f-1 0.003020 -0.003126 0.003301 -0.004095 -0.005127 0.000737 28O 1f+2 0.005378 -0.002326 0.003294 -0.001653 -0.002849 0.004475 28O 1f-2 0.002437 -0.002000 -0.000843 0.003926 0.002867 -0.005281 28O 1f+3 0.002658 -0.004069 -0.014858 0.007945 0.002071 0.005514 28O 1f-3 0.002861 0.001119 0.004384 -0.004025 0.000382 -0.005510 29O 1s -0.002017 -0.001037 0.000032 -0.002749 0.000795 -0.012721 29O 2s -0.006925 -0.003405 -0.000089 -0.007791 0.002566 -0.043167 29O 3s 0.051161 0.023064 0.005586 0.020788 -0.013273 0.298334 29O 4s -0.082748 -0.025404 -0.020653 0.075475 0.026450 -0.450033 29O 5s -0.082004 -0.074620 -0.046180 -0.037203 -0.106524 -0.431833 29O 1pz -0.275168 0.281378 0.060997 -0.028174 0.047484 0.051357 29O 1px -0.068101 0.111715 -0.017420 0.078099 -0.022269 -0.087531 29O 1py 0.017188 -0.031070 0.016659 -0.052161 0.024513 0.072463 29O 2pz 0.955441 -0.890642 -0.156307 0.039020 -0.082364 -0.012762 29O 2px 0.286025 -0.355611 -0.014720 -0.092951 0.007317 0.029075 29O 2py -0.048427 0.097595 -0.004423 0.022650 -0.017445 0.032485 29O 3pz -0.218873 0.105965 0.058835 -0.092069 -0.019997 0.137944 29O 3px -0.012337 0.095753 -0.094727 0.254568 -0.057766 -0.202136 29O 3py 0.048833 0.024120 0.107000 -0.113236 0.046944 0.468059 29O 1dz2 0.006461 -0.007651 -0.001685 0.001107 -0.000680 -0.001105 29O 1dxz -0.005784 0.007492 0.000114 0.002095 0.000961 -0.001595 29O 1dyz 0.014478 -0.011597 -0.001576 0.000776 -0.000842 -0.000575 29O 1dx2y2 -0.001906 0.000626 0.000677 -0.004320 0.000499 0.002991 29O 1dxy 0.006424 -0.006115 -0.001306 -0.001317 -0.000582 0.001719 29O 2dz2 0.005447 -0.028941 0.038828 -0.095541 0.025679 0.327380 29O 2dxz 0.029635 0.065460 0.031793 -0.031321 0.042960 0.204968 29O 2dyz -0.047127 0.085965 -0.013250 0.061712 -0.016202 -0.168956 29O 2dx2y2 -0.013300 0.011924 0.043829 -0.108894 0.020812 0.176705 29O 2dxy -0.010470 0.011669 0.037894 -0.103188 0.046358 0.229761 29O 1f0 0.009210 -0.004269 0.000823 -0.004820 0.000167 0.017724 29O 1f+1 0.003755 -0.005240 -0.001507 0.002634 -0.000694 -0.008435 29O 1f-1 0.032865 -0.026487 -0.003112 -0.003879 -0.001041 0.017957 29O 1f+2 -0.011606 0.010215 0.001111 0.002016 0.000813 -0.004524 29O 1f-2 -0.038833 0.042506 0.007826 -0.003650 0.002348 0.012935 29O 1f+3 0.012203 -0.010986 -0.000907 0.001127 -0.000401 0.002303 29O 1f-3 0.018748 -0.020575 -0.002313 0.000264 0.000124 -0.001635 30O 1s -0.000258 -0.002049 -0.004250 -0.000635 0.003322 0.001618 30O 2s -0.000779 -0.006648 -0.013987 -0.003365 0.007757 0.005340 30O 3s -0.009323 0.021235 0.068394 0.035433 -0.002058 -0.029254 30O 4s 0.068282 0.125564 0.018602 -0.085571 -0.155044 -0.010922 30O 5s 0.894294 0.467794 -0.216063 0.116838 -0.122569 -0.308040 30O 1pz 0.077104 0.017515 0.030567 0.089530 0.100692 0.019866 30O 1px 0.040260 0.003387 -0.055043 -0.041560 -0.008939 0.029475 30O 1py 0.007756 -0.040534 0.004662 0.052933 0.034987 0.008787 30O 2pz -0.156777 -0.065597 -0.056401 -0.104955 -0.042228 0.059250 30O 2px 0.071697 0.068251 0.103175 0.035457 -0.047896 -0.058251 30O 2py 0.120085 0.098848 0.046976 -0.025072 -0.095099 -0.100253 30O 3pz -0.036333 -0.455264 0.080092 0.111459 -0.006906 -0.333479 30O 3px 0.427770 0.112734 -0.232839 -0.160713 -0.220362 0.053960 30O 3py -0.091258 0.515349 -0.063051 -0.112339 0.014271 0.289081 30O 1dz2 -0.004509 -0.000421 -0.001241 0.002338 0.000445 -0.001216 30O 1dxz -0.001545 -0.003370 -0.000878 0.001025 -0.000470 -0.004181 30O 1dyz -0.000129 0.000969 -0.003548 -0.005013 -0.006673 0.000761 30O 1dx2y2 -0.000263 0.000617 -0.002640 -0.003241 -0.005915 0.003223 30O 1dxy -0.002560 0.004550 -0.000589 -0.004046 -0.000641 0.002857 30O 2dz2 -0.130993 0.016933 -0.021704 -0.018472 -0.065526 -0.070605 30O 2dxz -0.083655 -0.106158 0.017486 0.022806 -0.036352 -0.091590 30O 2dyz -0.087583 0.008702 -0.041278 -0.025895 0.045016 0.035427 30O 2dx2y2 -0.056911 -0.005647 -0.079759 -0.185443 -0.167055 0.039966 30O 2dxy 0.060355 0.151148 -0.025244 -0.067707 -0.005012 0.038493 30O 1f0 0.002316 -0.001146 0.003471 -0.005340 -0.013290 -0.006298 30O 1f+1 -0.003003 -0.001712 0.000135 -0.001768 -0.000714 -0.000749 30O 1f-1 -0.001864 0.000281 -0.001728 0.003879 0.001417 -0.000630 30O 1f+2 -0.001279 0.000218 0.003321 0.006897 0.009910 0.000913 30O 1f-2 -0.001153 -0.001856 -0.003908 -0.004859 -0.003002 -0.002761 30O 1f+3 -0.007208 0.001692 0.001406 -0.003802 -0.006558 0.000365 30O 1f-3 -0.003495 0.000804 -0.000838 -0.001156 0.001191 -0.002305 31O 1s 0.000306 -0.002303 0.004273 -0.000370 -0.003361 0.001497 31O 2s 0.000908 -0.007521 0.014062 -0.002522 -0.007947 0.005010 31O 3s 0.008899 0.025796 -0.069258 0.031754 0.003821 -0.028835 31O 4s -0.070448 0.128465 -0.014663 -0.089222 0.152122 -0.004095 31O 5s -0.882519 0.453136 0.226171 0.125320 0.133844 -0.288738 31O 1pz 0.078164 -0.018615 0.031843 -0.088890 0.101168 -0.021325 31O 1px 0.040257 0.000939 -0.060446 0.039043 -0.006654 -0.030494 31O 1py 0.008262 0.040083 0.011135 -0.053754 0.036575 -0.008385 31O 2pz -0.157981 0.068735 -0.060014 0.101682 -0.040925 -0.054237 31O 2px 0.071404 -0.076501 0.106855 -0.028337 -0.050065 0.053486 31O 2py 0.119349 -0.098075 0.044322 0.030459 -0.098666 0.095518 31O 3pz -0.032154 0.462692 0.116395 -0.106867 -0.003137 0.330070 31O 3px 0.420573 -0.093845 -0.252022 0.151847 -0.215734 -0.068826 31O 3py -0.095886 -0.526950 -0.100186 0.099952 0.013885 -0.283439 31O 1dz2 0.004457 -0.000170 0.001011 0.002567 -0.000496 -0.001230 31O 1dxz 0.001585 -0.003370 0.000469 0.001109 0.000501 -0.004150 31O 1dyz -0.000021 0.000549 0.003819 -0.004906 0.006616 0.000768 31O 1dx2y2 0.000143 0.000520 0.002959 -0.003075 0.005719 0.003327 31O 1dxy 0.002641 0.004526 0.001102 -0.003945 0.000563 0.002759 31O 2dz2 0.129123 0.022621 0.019611 -0.016890 0.068532 -0.072651 31O 2dxz 0.083602 -0.107426 -0.029175 0.022889 0.036068 -0.091149 31O 2dyz 0.084647 0.007823 0.047702 -0.022940 -0.046087 0.033443 31O 2dx2y2 0.055397 -0.007209 0.095744 -0.182991 0.161344 0.044997 31O 2dxy -0.058527 0.149554 0.037222 -0.065510 0.003971 0.038136 31O 1f0 0.002362 0.001213 0.003543 0.005772 -0.013260 0.005891 31O 1f+1 -0.003012 0.001608 0.000039 0.001706 -0.000630 0.000827 31O 1f-1 -0.001821 -0.000330 -0.001566 -0.004016 0.001247 0.000854 31O 1f+2 -0.001301 -0.000247 0.003570 -0.006898 0.009770 -0.000616 31O 1f-2 -0.001129 0.002105 -0.004020 0.004721 -0.002901 0.002797 31O 1f+3 -0.007168 -0.001594 0.001125 0.003906 -0.006634 -0.000345 31O 1f-3 -0.003588 -0.000723 -0.000948 0.001110 0.001028 0.002488 32O 1s 0.002080 -0.000981 0.000023 -0.002764 -0.000994 -0.012877 32O 2s 0.007134 -0.003253 0.000157 -0.007829 -0.003156 -0.043700 32O 3s -0.052142 0.023131 -0.003483 0.020788 0.015496 0.302090 32O 4s 0.084709 -0.027536 0.008597 0.075901 -0.024704 -0.456057 32O 5s 0.069761 -0.084669 0.046125 -0.034980 0.108306 -0.436681 32O 1pz -0.275871 -0.284743 0.038610 0.024724 0.043435 -0.047564 32O 1px -0.064505 -0.107218 -0.018357 -0.079803 -0.029592 0.088954 32O 1py 0.008910 0.019233 0.015147 0.052815 0.028871 -0.072995 32O 2pz 0.956959 0.900003 -0.096992 -0.032737 -0.070811 0.010391 32O 2px 0.280457 0.351109 -0.000401 0.095448 0.018513 -0.028457 32O 2py -0.024553 -0.071809 -0.011346 -0.023440 -0.021712 -0.034099 32O 3pz -0.221284 -0.110178 0.041197 0.087494 -0.018372 -0.130357 32O 3px -0.010489 -0.083573 -0.077127 -0.258055 -0.073012 0.209648 32O 3py 0.039560 -0.040100 0.094386 0.116952 0.053434 -0.477019 32O 1dz2 -0.005933 -0.007345 0.001067 0.001098 0.000608 -0.001135 32O 1dxz 0.006039 0.007737 0.000064 0.002115 -0.000792 -0.001636 32O 1dyz -0.014705 -0.011925 0.000856 0.000650 0.000742 -0.000526 32O 1dx2y2 0.002211 0.000949 -0.000252 -0.004334 -0.000720 0.003000 32O 1dxy -0.006142 -0.006021 0.001054 -0.001366 0.000418 0.001748 32O 2dz2 -0.002599 -0.024265 -0.031973 -0.098933 -0.033951 0.341707 32O 2dxz -0.027095 0.069214 -0.022635 -0.029975 -0.042958 0.203152 32O 2dyz 0.043688 0.082778 0.009228 0.054974 0.018902 -0.150905 32O 2dx2y2 0.010759 0.013638 -0.030689 -0.108778 -0.024743 0.178133 32O 2dxy 0.014787 0.020228 -0.028718 -0.106421 -0.054176 0.242135 32O 1f0 0.007320 0.002627 0.000617 0.004614 0.000491 -0.016831 32O 1f+1 0.004823 0.006673 -0.001101 -0.002898 -0.000854 0.009413 32O 1f-1 0.032473 0.025926 -0.001873 0.004275 -0.000391 -0.019038 32O 1f+2 -0.011776 -0.010066 0.000694 -0.002238 0.000602 0.005430 32O 1f-2 -0.039594 -0.043481 0.004904 0.003380 0.001960 -0.012580 32O 1f+3 0.010485 0.009193 0.000012 -0.000957 -0.000221 -0.002818 32O 1f-3 0.019090 0.020768 -0.001053 -0.000095 0.000433 0.001318 33O 1s 0.002528 0.001238 0.001605 -0.001316 0.003649 0.001632 33O 2s 0.008504 0.004158 0.003766 -0.004699 0.011810 0.003859 33O 3s -0.041573 -0.017380 -0.002463 0.030343 -0.054134 0.002339 33O 4s -0.072528 -0.042210 -0.058252 -0.007545 -0.040494 -0.062105 33O 5s 0.551376 -0.378790 -0.029808 0.000282 0.280734 -0.066683 33O 1pz -0.013703 -0.004274 0.050337 0.068553 0.002657 -0.006174 33O 1px -0.053767 0.056953 0.052111 0.080081 -0.049777 -0.000408 33O 1py -0.086753 0.045694 -0.107947 -0.058186 -0.004432 -0.103903 33O 2pz 0.089461 0.027450 -0.082593 -0.018814 -0.056657 -0.044032 33O 2px 0.021989 -0.015699 -0.023758 -0.094312 0.108458 0.037114 33O 2py 0.092605 -0.011889 0.078369 0.077157 -0.023862 0.080559 33O 3pz -0.551263 -0.780680 0.026761 -0.043690 0.141442 -0.113379 33O 3px -0.401405 0.346118 0.056029 0.154941 -0.278509 -0.042082 33O 3py -0.466307 -0.385279 0.061719 -0.018081 0.109682 -0.046250 33O 1dz2 -0.001311 -0.002286 0.002643 0.001497 0.000637 0.000487 33O 1dxz 0.006425 0.007604 -0.000771 0.001836 0.002116 -0.001042 33O 1dyz -0.000171 0.001891 0.003592 0.005052 -0.004800 0.002443 33O 1dx2y2 0.001898 -0.005648 -0.000714 -0.003559 0.001806 -0.002496 33O 1dxy 0.005004 0.003807 -0.001507 -0.002813 -0.000717 -0.002718 33O 2dz2 -0.010848 0.014944 0.151691 0.162778 -0.045042 -0.025823 33O 2dxz 0.066675 0.247624 0.044930 0.064110 -0.006766 0.036197 33O 2dyz 0.014684 0.109873 -0.069485 0.027638 -0.062959 -0.094744 33O 2dx2y2 0.114897 -0.179928 0.059061 -0.051391 0.039146 0.044107 33O 2dxy 0.148923 0.081799 -0.009280 -0.053705 -0.010730 0.025303 33O 1f0 -0.000739 -0.001618 -0.002703 -0.003190 0.003289 -0.001007 33O 1f+1 0.000247 -0.001170 0.005353 0.001895 0.002323 0.005602 33O 1f-1 0.003053 0.003266 0.003244 0.004472 -0.005055 -0.001022 33O 1f+2 0.005215 0.002127 0.003495 0.002137 -0.002762 -0.004596 33O 1f-2 0.002536 0.002064 -0.000079 -0.003858 0.002712 0.005375 33O 1f+3 0.002795 0.004694 -0.014076 -0.008717 0.002096 -0.005311 33O 1f-3 0.002999 -0.001230 0.003985 0.004199 0.000403 0.005301 34O 1s 0.004996 -0.000483 0.004638 -0.001183 -0.003378 0.003645 34O 2s 0.014809 -0.003440 0.014351 -0.003833 -0.008773 0.010475 34O 3s -0.068161 0.038335 -0.051122 0.013766 0.019104 -0.037921 34O 4s -0.036881 -0.124064 -0.164947 0.079240 0.143081 -0.116114 34O 5s 0.733544 0.679314 0.195258 0.034049 -0.256616 0.189234 34O 1pz -0.089118 -0.033327 -0.041193 0.044066 -0.067291 -0.005401 34O 1px 0.007598 0.017739 0.040192 -0.025299 0.006971 -0.002311 34O 1py 0.046530 0.052521 0.002415 -0.031096 -0.067455 0.063376 34O 2pz 0.089061 0.062127 0.023565 -0.032025 0.024915 0.013165 34O 2px 0.076781 0.011219 -0.184436 0.094623 0.041508 -0.023470 34O 2py -0.093705 -0.102500 0.014744 0.022847 0.060362 -0.051035 34O 3pz -0.518196 0.121085 -0.027629 0.229412 -0.262726 -0.089847 34O 3px 0.203557 0.566258 0.167096 0.034561 -0.134854 0.133400 34O 3py 0.403638 -0.417279 0.084115 0.016567 -0.131540 0.149624 34O 1dz2 -0.000141 -0.006168 -0.000523 -0.003354 0.006625 -0.001647 34O 1dxz -0.001664 0.001969 -0.001126 0.003208 -0.000004 0.000889 34O 1dyz -0.005672 -0.000240 0.003242 0.000293 -0.000012 -0.001460 34O 1dx2y2 -0.001106 0.003817 -0.001264 -0.002945 0.002950 -0.002931 34O 1dxy -0.001473 -0.008484 0.002310 -0.001200 0.003378 -0.000316 34O 2dz2 -0.025715 -0.129023 0.002959 -0.107568 0.173434 -0.048251 34O 2dxz -0.160733 0.029094 -0.048672 0.165381 -0.184569 0.003735 34O 2dyz -0.099619 0.063252 0.024441 0.027227 -0.036954 -0.023620 34O 2dx2y2 0.012632 0.208821 -0.002082 -0.062999 0.017361 0.004131 34O 2dxy -0.027040 -0.167058 0.022870 -0.015997 -0.014996 0.080045 34O 1f0 0.001347 -0.003427 0.003142 0.001044 0.004962 -0.002706 34O 1f+1 -0.002785 0.004698 0.001663 0.006294 -0.012280 0.001605 34O 1f-1 0.001138 -0.000649 -0.000179 0.002315 -0.001947 0.000211 34O 1f+2 -0.003390 0.000221 0.000122 0.003663 -0.001964 -0.000297 34O 1f-2 -0.000909 -0.005552 0.004378 -0.006095 0.008762 -0.004188 34O 1f+3 0.000632 0.009256 0.005949 -0.003905 0.001719 -0.004201 34O 1f-3 -0.000709 -0.002894 -0.004295 0.005296 -0.002146 -0.000034 35O 1s -0.000445 0.000089 0.001834 -0.002231 0.005292 -0.001350 35O 2s -0.000011 0.003453 0.004312 -0.007291 0.016620 -0.003879 35O 3s -0.002427 -0.067107 0.000665 0.038382 -0.069357 0.025765 35O 4s 0.076131 0.310938 -0.147830 0.029364 -0.133247 -0.098413 35O 5s -1.536281 -0.461107 0.212081 -0.001132 0.432054 -0.095048 35O 1pz 0.055441 0.084223 -0.060354 0.034837 -0.018708 -0.016679 35O 1px -0.005414 0.015907 -0.045662 -0.054701 0.060106 0.022130 35O 1py 0.071822 0.039862 0.089916 0.054395 -0.010108 0.004710 35O 2pz -0.151475 -0.123346 0.052098 -0.040660 0.018551 -0.000351 35O 2px -0.156332 0.045742 -0.020323 0.077252 -0.154649 -0.152112 35O 2py -0.167377 -0.043831 -0.072655 -0.029936 -0.027159 -0.042943 35O 3pz 0.222561 -0.110254 -0.100085 -0.041017 -0.123002 0.402612 35O 3px -0.625543 -0.225479 -0.060567 -0.239244 0.266345 0.347824 35O 3py 0.000146 -0.188373 0.340298 0.205887 -0.006854 0.426467 35O 1dz2 -0.001876 -0.000069 0.004531 0.004022 -0.002207 -0.005581 35O 1dxz 0.000336 -0.002708 0.003024 0.001183 -0.002536 -0.001847 35O 1dyz -0.004531 -0.003275 -0.001140 -0.001233 -0.001786 -0.008225 35O 1dx2y2 -0.003410 -0.001525 0.003117 -0.000522 -0.000262 0.004988 35O 1dxy -0.002404 -0.002754 0.002810 0.002034 -0.001730 0.003069 35O 2dz2 0.034782 0.056953 0.090946 0.127463 -0.044709 -0.089984 35O 2dxz -0.176117 -0.009864 0.011467 0.051045 -0.011582 0.021663 35O 2dyz -0.169373 0.027905 -0.081198 -0.044127 0.011917 -0.098023 35O 2dx2y2 -0.138537 -0.058469 -0.086157 -0.130639 0.041601 0.031230 35O 2dxy -0.162075 -0.074483 0.226195 0.121160 -0.011661 0.135231 35O 1f0 -0.002201 -0.000127 0.001215 -0.001084 0.001586 0.000012 35O 1f+1 -0.003160 -0.003595 -0.005213 -0.004328 0.003435 -0.000913 35O 1f-1 -0.004735 -0.006553 -0.003434 -0.005814 -0.000021 0.000583 35O 1f+2 0.002550 0.003530 -0.005589 -0.002685 -0.000756 -0.002582 35O 1f-2 -0.001768 -0.002511 0.006321 0.004563 -0.004102 -0.001398 35O 1f+3 0.002468 -0.002212 0.006955 0.001862 0.000992 0.004124 35O 1f-3 0.000576 -0.003673 0.008335 0.004793 0.003765 0.008653 432 433 434 435 436 437 2.42539 2.43202 2.43250 2.43896 2.45461 2.46195 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s -0.001273 0.000047 -0.001551 -0.000034 0.001198 -0.002727 0Rh 2s 0.005226 0.000066 0.008062 0.001708 -0.010701 0.013792 0Rh 3s -0.004332 0.000322 -0.004239 0.000839 0.000547 -0.007690 0Rh 4s -0.026851 -0.000286 -0.041147 -0.008838 0.054849 -0.070445 0Rh 5s 0.035985 0.001297 0.061531 0.022969 -0.107703 0.102587 0Rh 6s 0.023277 -0.001608 0.024238 -0.041543 0.076005 0.057322 0Rh 7s -0.100187 -0.010731 -0.239751 0.342496 -0.017139 -0.402802 0Rh 8s 0.739320 -0.151801 0.043695 -0.208263 0.228901 -0.225914 0Rh 1pz -0.000824 0.001131 -0.000802 -0.013132 -0.002319 0.000824 0Rh 1px 0.004464 -0.000458 -0.004320 -0.002691 0.005027 -0.000827 0Rh 1py 0.002590 0.000920 0.010884 -0.001306 -0.003073 -0.007868 0Rh 2pz 0.003260 -0.004012 0.002863 0.046766 0.008541 -0.002849 0Rh 2px -0.016215 0.001640 0.015282 0.010113 -0.018087 0.002805 0Rh 2py -0.009292 -0.002913 -0.038959 0.004758 0.010918 0.028089 0Rh 3pz -0.009518 0.003189 -0.002364 -0.038015 -0.012727 0.000616 0Rh 3px 0.019479 -0.001475 -0.010227 -0.019512 0.018058 0.000979 0Rh 3py 0.008600 -0.005409 0.035999 -0.006077 -0.007942 -0.024026 0Rh 4pz 0.017162 0.013589 -0.010739 -0.168616 -0.006960 0.015974 0Rh 4px 0.033607 -0.005659 -0.064076 0.011520 0.052564 -0.023972 0Rh 4py 0.032073 0.043484 0.122133 -0.008823 -0.046510 -0.097449 0Rh 5pz -0.041223 -0.018429 0.020675 0.298173 0.003069 -0.019643 0Rh 5px -0.045844 0.008514 0.111779 -0.035420 -0.075145 0.041541 0Rh 5py -0.072742 -0.082769 -0.212766 0.022718 0.111395 0.179203 0Rh 6pz 0.407459 -0.096435 0.280922 1.123766 0.396315 -0.088761 0Rh 6px -0.812221 0.173550 0.288071 0.615391 -1.057558 -0.157237 0Rh 6py 0.000165 -0.018470 -1.098254 -0.062230 -0.526616 0.224301 0Rh 1dz2 0.001079 -0.010053 0.000048 0.001565 -0.015622 -0.010392 0Rh 1dxz -0.002629 0.000730 -0.004377 -0.004712 -0.020924 -0.003996 0Rh 1dyz -0.010208 -0.015554 -0.000343 0.001626 0.003682 -0.002701 0Rh 1dx2y2 0.010376 -0.000960 0.004096 -0.003256 0.013106 0.010200 0Rh 1dxy -0.000188 -0.012505 0.003126 0.005226 0.006185 0.003540 0Rh 2dz2 0.004029 0.003657 0.001557 -0.000610 0.001491 -0.002428 0Rh 2dxz 0.003296 -0.000945 0.001551 0.001572 0.002641 0.001933 0Rh 2dyz 0.004199 0.009494 0.002857 0.001695 -0.000761 -0.007543 0Rh 2dx2y2 -0.004375 0.002290 -0.000622 0.000387 -0.005160 -0.004771 0Rh 2dxy -0.000716 0.003197 -0.001917 0.001057 -0.001988 -0.003461 0Rh 3dz2 -0.021377 0.011020 -0.007174 -0.001715 0.036552 0.039898 0Rh 3dxz -0.007657 0.002259 0.005246 0.006277 0.046099 0.002362 0Rh 3dyz 0.009006 -0.000580 -0.011813 -0.012104 -0.006774 0.041984 0Rh 3dx2y2 -0.008891 -0.007750 -0.008438 0.007179 -0.012907 -0.006972 0Rh 3dxy 0.003667 0.019777 -0.000352 -0.019187 -0.008109 0.005902 0Rh 4dz2 0.065693 0.061045 0.023612 -0.006671 0.024491 -0.039719 0Rh 4dxz 0.052744 -0.015178 0.021863 0.018883 0.042806 0.029837 0Rh 4dyz 0.068926 0.159205 0.040667 0.026062 -0.011377 -0.124993 0Rh 4dx2y2 -0.069947 0.037304 -0.011483 0.007385 -0.082148 -0.070995 0Rh 4dxy -0.010220 0.055771 -0.023976 0.015804 -0.032241 -0.056714 0Rh 5dz2 -0.290471 -0.366355 -0.070092 0.008380 -0.249387 0.130371 0Rh 5dxz -0.258366 0.080302 -0.104218 -0.058378 -0.367925 -0.142112 0Rh 5dyz -0.376481 -0.880885 -0.095800 -0.119862 0.041764 0.606976 0Rh 5dx2y2 0.382955 -0.180401 0.092130 -0.075785 0.485656 0.342649 0Rh 5dxy 0.029851 -0.371903 0.086452 -0.030177 0.203518 0.308785 0Rh 1f0 -0.091475 -0.038807 -0.076108 -0.056312 -0.069352 0.148177 0Rh 1f+1 0.081919 0.011112 -0.041614 0.031013 0.069937 -0.118026 0Rh 1f-1 -0.027186 -0.044318 -0.066438 0.108448 0.031716 0.175301 0Rh 1f+2 0.100675 -0.045909 -0.058289 -0.167730 0.069351 0.097905 0Rh 1f-2 0.068696 0.117397 -0.159290 0.071558 0.055952 -0.205507 0Rh 1f+3 0.106330 -0.043914 0.055815 0.049693 0.109620 -0.021801 0Rh 1f-3 0.053436 -0.067996 -0.005664 -0.042777 0.096840 0.166413 1Rh 1s 0.001251 -0.000355 -0.001486 -0.000038 -0.001065 -0.002872 1Rh 2s -0.005161 0.001602 0.007838 0.001769 0.009967 0.015002 1Rh 3s 0.004244 -0.001120 -0.003994 0.000852 -0.000208 -0.007813 1Rh 4s 0.026521 -0.008231 -0.039984 -0.009144 -0.051095 -0.076650 1Rh 5s -0.035760 0.011834 0.060101 0.023554 0.101861 0.114545 1Rh 6s -0.021880 0.004793 0.023003 -0.041711 -0.077397 0.049519 1Rh 7s 0.093392 -0.022154 -0.239560 0.338951 0.037759 -0.402139 1Rh 8s -0.743430 0.149476 -0.006943 -0.219868 -0.214224 -0.236559 1Rh 1pz -0.001037 0.001427 0.000579 0.013041 -0.002764 -0.001040 1Rh 1px 0.004324 0.000537 0.004406 0.002609 0.004941 0.001264 1Rh 1py 0.003014 -0.001578 -0.010724 0.001313 -0.003944 0.007474 1Rh 2pz 0.004014 -0.005062 -0.002079 -0.046429 0.010149 0.003632 1Rh 2px -0.015707 -0.001908 -0.015598 -0.009815 -0.017793 -0.004379 1Rh 2py -0.010802 0.006016 0.038308 -0.004795 0.014029 -0.026697 1Rh 3pz -0.009987 0.003920 0.001960 0.037448 -0.014519 -0.001500 1Rh 3px 0.018790 0.001525 0.010727 0.019180 0.018127 0.000610 1Rh 3py 0.009831 -0.013365 -0.033729 0.006329 -0.010685 0.023130 1Rh 4pz 0.013829 0.018032 0.007201 0.168622 -0.010752 -0.017893 1Rh 4px 0.032920 0.006590 0.064301 -0.012300 0.050115 0.028431 1Rh 4py 0.037463 0.014285 -0.127125 0.008093 -0.056835 0.091052 1Rh 5pz -0.034973 -0.027045 -0.015725 -0.298407 0.009503 0.023010 1Rh 5px -0.044792 -0.012000 -0.111397 0.037463 -0.070333 -0.047541 1Rh 5py -0.081976 -0.032008 0.222662 -0.021560 0.129335 -0.164524 1Rh 6pz 0.408007 -0.154370 -0.247121 -1.116127 0.437904 0.110439 1Rh 6px -0.796878 0.086875 -0.341552 -0.633791 -1.066431 0.056642 1Rh 6py -0.043416 0.232714 1.066589 0.059036 -0.467100 -0.277970 1Rh 1dz2 -0.001010 0.009644 -0.001875 0.001177 0.015814 -0.008755 1Rh 1dxz 0.002369 -0.001615 -0.004111 -0.004696 0.021065 -0.002172 1Rh 1dyz 0.009873 0.015240 -0.003282 0.001230 -0.003260 -0.003555 1Rh 1dx2y2 -0.010310 0.001894 0.003489 -0.003341 -0.013343 0.008776 1Rh 1dxy -0.000091 0.012918 0.000684 0.005060 -0.005982 0.002797 1Rh 2dz2 -0.004214 -0.003202 0.002167 -0.000613 -0.000888 -0.002456 1Rh 2dxz -0.003286 0.001254 0.001219 0.001536 -0.002759 0.001692 1Rh 2dyz -0.004710 -0.008502 0.004610 0.001793 0.002199 -0.007298 1Rh 2dx2y2 0.004237 -0.002337 -0.000022 0.000450 0.005511 -0.004310 1Rh 2dxy 0.000569 -0.003463 -0.001179 0.001101 0.002505 -0.003239 1Rh 3dz2 0.022023 -0.011953 -0.004657 -0.000637 -0.039817 0.035476 1Rh 3dxz 0.008325 -0.001169 0.006008 0.006400 -0.045956 -0.001612 1Rh 3dyz -0.005768 -0.003018 -0.011747 -0.011466 -0.000945 0.043228 1Rh 3dx2y2 0.009327 0.005387 -0.009487 0.007127 0.011981 -0.005117 1Rh 3dxy -0.002220 -0.019803 0.003002 -0.018938 0.005185 0.006951 1Rh 4dz2 -0.068580 -0.054015 0.033827 -0.006553 -0.014953 -0.040114 1Rh 4dxz -0.052523 0.019378 0.016631 0.018251 -0.044666 0.025968 1Rh 4dyz -0.076877 -0.144367 0.070239 0.027902 0.034545 -0.120868 1Rh 4dx2y2 0.067893 -0.038229 -0.001699 0.008469 0.087568 -0.063612 1Rh 4dxy 0.007776 -0.058541 -0.011474 0.016687 0.040692 -0.053008 1Rh 5dz2 0.302479 0.339615 -0.134082 0.003456 0.208917 0.145826 1Rh 5dxz 0.255202 -0.098868 -0.078020 -0.054851 0.376191 -0.109303 1Rh 5dyz 0.405291 0.831910 -0.262082 -0.134702 -0.142653 0.582765 1Rh 5dx2y2 -0.375267 0.192437 0.042498 -0.082480 -0.509287 0.296097 1Rh 5dxy -0.021242 0.378301 0.008226 -0.036956 -0.241091 0.283844 1Rh 1f0 -0.097149 -0.020922 0.080767 0.056001 -0.055196 -0.152514 1Rh 1f+1 0.083509 0.020210 0.040398 -0.030780 0.056848 0.121778 1Rh 1f-1 -0.031333 -0.028805 0.073131 -0.106716 0.059502 -0.171138 1Rh 1f+2 0.094768 -0.028394 0.070015 0.167222 0.079023 -0.089778 1Rh 1f-2 0.068315 0.150150 0.133972 -0.073780 0.031982 0.208229 1Rh 1f+3 0.109551 -0.055088 -0.043180 -0.048079 0.111771 0.030707 1Rh 1f-3 0.050667 -0.064003 0.020029 0.044871 0.116503 -0.156035 2C 1s -0.000208 -0.002302 0.001579 -0.001797 -0.000947 -0.002522 2C 2s -0.001930 -0.004822 0.004801 -0.005106 -0.001665 -0.005801 2C 3s 0.018576 0.070967 -0.040426 0.051104 0.082690 0.237458 2C 4s 0.030484 -0.172182 -0.172624 0.013875 -0.431766 -1.162081 2C 5s 0.583992 -0.518794 -0.303816 0.631302 0.044467 -3.392002 2C 1pz 0.043311 0.060626 -0.045081 0.068177 0.042037 0.076648 2C 1px -0.119012 -0.040951 0.037169 -0.086443 -0.014623 0.009132 2C 1py -0.028652 0.010743 -0.012136 -0.005020 0.020387 0.066548 2C 2pz -0.036845 -0.042217 -0.127624 0.056449 -0.232775 -0.584688 2C 2px 0.050189 -0.342857 0.167922 -0.356925 -0.085420 -0.161511 2C 2py 0.082282 0.084629 -0.254982 0.148210 -0.050991 -0.532475 2C 3pz 0.165115 -0.041455 -0.104836 0.283039 0.040989 -0.870587 2C 3px 0.016529 -0.093277 0.033870 -0.155539 -0.042511 -0.166258 2C 3py 0.070671 -0.093100 -0.060567 0.061050 -0.021827 -0.554156 2C 1dz2 0.006390 -0.012470 0.004802 0.000278 -0.025974 -0.000953 2C 1dxz -0.013753 -0.066078 0.061756 -0.069771 -0.008848 0.000677 2C 1dyz -0.001289 -0.006264 -0.005725 -0.001174 -0.019199 -0.013319 2C 1dx2y2 -0.027359 -0.006995 0.003360 -0.020127 -0.009910 -0.000639 2C 1dxy -0.004535 -0.021591 0.009799 -0.025473 0.004833 -0.024285 2C 2dz2 0.170085 0.171112 -0.093967 0.254360 0.164225 -0.010408 2C 2dxz 0.073791 0.171348 -0.292268 0.183179 -0.069728 -0.099585 2C 2dyz -0.214765 -0.185622 0.089068 -0.246668 -0.131628 -0.288406 2C 2dx2y2 -0.371933 -0.341568 0.208642 -0.526191 -0.141478 -0.012375 2C 2dxy -0.067701 -0.136090 0.029080 -0.173793 -0.181199 0.036183 2C 1f0 -0.036532 -0.036333 0.014343 -0.067486 -0.028650 -0.008646 2C 1f+1 -0.038195 -0.037769 0.024264 -0.042782 -0.017350 0.001688 2C 1f-1 0.054703 0.031684 -0.025376 0.061921 0.006467 -0.013529 2C 1f+2 0.027545 0.027623 -0.005606 0.044768 0.024741 0.030402 2C 1f-2 0.000519 -0.038083 0.008983 -0.006508 -0.013971 -0.026648 2C 1f+3 -0.038987 -0.005044 -0.002698 -0.024746 0.004900 0.021849 2C 1f-3 -0.058752 -0.026650 0.015206 -0.064075 -0.018045 -0.000546 3C 1s -0.001300 0.001122 -0.002344 -0.000673 -0.000380 0.003686 3C 2s -0.004987 0.001516 -0.006033 -0.001146 -0.001565 0.010288 3C 3s 0.128620 -0.027850 0.119837 0.057344 -0.001232 -0.151991 3C 4s -0.529006 0.084163 -0.405225 -0.232766 0.130731 0.117391 3C 5s 0.641522 0.129822 0.377839 -0.732983 -0.006546 3.000570 3C 1pz 0.034143 -0.026432 0.067693 0.023415 0.016201 -0.062999 3C 1px -0.054744 0.071938 -0.103777 -0.042670 -0.057264 0.015862 3C 1py -0.044637 0.050510 -0.070862 -0.051987 -0.018682 0.065856 3C 2pz 0.010925 -0.289610 0.018467 0.112484 0.024505 -0.707427 3C 2px 0.119708 0.160028 -0.453246 -0.122068 0.022517 -0.034357 3C 2py 0.359025 -0.156700 0.074413 0.240051 -0.053272 -0.294748 3C 3pz 0.068581 0.018599 0.137949 -0.110222 0.002141 0.503150 3C 3px 0.023167 0.081045 -0.246454 -0.114210 -0.024317 0.267066 3C 3py -0.079105 0.059080 -0.164426 0.100033 -0.053035 -0.747588 3C 1dz2 0.001117 -0.035062 0.016347 0.030692 0.010726 -0.063743 3C 1dxz 0.040539 -0.008723 -0.020212 0.005006 -0.005855 -0.009790 3C 1dyz 0.007820 0.024632 0.006200 -0.029788 -0.013184 0.098586 3C 1dx2y2 0.034550 -0.025239 -0.015698 0.007900 -0.012919 -0.070719 3C 1dxy -0.000885 -0.050657 0.060327 0.041754 0.015435 -0.070113 3C 2dz2 0.142677 -0.112793 0.037627 0.050814 -0.003476 0.136866 3C 2dxz -0.012053 -0.291415 0.524149 0.188101 0.263515 -0.072616 3C 2dyz 0.113331 -0.206467 0.164456 0.223052 0.092431 -0.569903 3C 2dx2y2 -0.165471 0.385098 -0.369233 -0.162475 -0.117913 0.341775 3C 2dxy 0.107496 -0.178256 0.451052 0.034086 0.084844 0.430713 3C 1f0 -0.002380 0.002113 0.005644 0.008520 0.011930 0.034012 3C 1f+1 -0.039566 0.053096 -0.105590 -0.015780 -0.021322 -0.003868 3C 1f-1 -0.012195 0.051926 -0.035215 -0.035689 -0.021878 0.051682 3C 1f+2 -0.015436 0.031885 -0.040387 -0.009305 -0.032850 -0.000761 3C 1f-2 0.022968 -0.053339 0.086291 0.016474 0.015045 0.003210 3C 1f+3 0.006696 -0.007699 0.041138 0.007214 0.010267 0.014871 3C 1f-3 0.052689 -0.039279 0.087104 0.014708 0.009386 -0.000665 4C 1s 0.002219 0.001580 0.001818 -0.004280 -0.000969 0.008240 4C 2s 0.007839 0.007266 0.003350 -0.011535 -0.001208 0.028882 4C 3s -0.109958 -0.209439 0.052929 0.055286 -0.074718 -0.791592 4C 4s 0.132571 0.658030 -0.145062 -0.165825 0.453267 3.169418 4C 5s -0.356354 0.216547 -0.155614 0.026375 0.089342 1.473045 4C 1pz -0.001289 -0.051921 0.036796 0.014307 0.030173 -0.093594 4C 1px -0.035438 -0.010508 0.023589 -0.029725 -0.042114 -0.047006 4C 1py -0.012201 -0.028191 0.023176 0.013872 0.013470 -0.110236 4C 2pz -0.143490 0.154512 -0.138954 -0.286880 -0.283597 0.244754 4C 2px 0.623047 0.171970 -0.408177 1.016336 0.419024 0.304871 4C 2py 0.153223 0.144670 -0.227448 0.169917 -0.037942 0.396161 4C 3pz 0.447009 -0.391985 -0.337383 0.441719 0.031152 -2.493761 4C 3px 0.036669 0.338930 -0.247331 0.740218 0.129706 -0.354235 4C 3py 0.298288 -0.014935 -0.351296 0.646252 0.085965 -1.799563 4C 1dz2 0.001367 -0.022827 -0.009018 -0.003580 -0.014073 -0.012650 4C 1dxz 0.006550 0.015366 0.007053 0.001128 -0.005658 0.010863 4C 1dyz 0.011616 -0.030762 0.007787 -0.000314 -0.027812 -0.065859 4C 1dx2y2 0.002103 0.022628 -0.000588 0.019071 0.017378 -0.015867 4C 1dxy 0.020258 0.006360 -0.014333 -0.010103 -0.021478 -0.036191 4C 2dz2 -0.191237 -0.022691 0.302934 -0.232537 0.091291 0.257491 4C 2dxz 0.193662 -0.166701 0.063320 0.019071 -0.001261 0.129907 4C 2dyz 0.036569 0.087485 0.109861 -0.005000 0.100451 0.443522 4C 2dx2y2 0.150465 0.113486 -0.298998 0.192367 -0.040368 0.064768 4C 2dxy 0.178066 0.049159 -0.211672 0.199408 0.068888 0.148267 4C 1f0 0.005859 -0.003661 0.004406 0.018997 -0.006315 0.000172 4C 1f+1 -0.029952 -0.044935 0.040940 -0.074005 -0.017197 -0.040838 4C 1f-1 0.007905 0.006062 -0.000200 0.025727 0.018402 -0.040326 4C 1f+2 -0.016405 -0.028120 0.023781 -0.055587 -0.019946 0.062884 4C 1f-2 -0.023129 -0.035298 0.025412 -0.042986 -0.004419 -0.036301 4C 1f+3 -0.028655 -0.020013 0.026005 -0.050982 -0.012626 -0.017665 4C 1f-3 -0.020085 -0.006955 0.009399 -0.014798 -0.006221 -0.056245 5C 1s 0.000587 -0.000654 -0.003692 0.003641 0.001999 -0.012428 5C 2s 0.003148 -0.004221 -0.009280 0.013861 0.007091 -0.042930 5C 3s -0.198556 0.118579 -0.052941 -0.233960 -0.067300 0.936253 5C 4s 1.019239 -0.342272 0.483058 0.504337 -0.120151 -3.053359 5C 5s -0.099836 -0.150055 0.131302 0.087131 -0.175455 -0.993706 5C 1pz 0.025671 0.000751 0.021883 -0.036100 -0.005034 0.167093 5C 1px -0.021250 0.024156 -0.010526 0.010654 -0.052275 0.067041 5C 1py -0.031173 -0.028399 -0.040395 0.076674 0.028410 -0.272809 5C 2pz -0.188959 0.071833 -0.399082 -0.039819 -0.115504 -0.802668 5C 2px 0.374230 -0.327676 1.009064 0.294816 0.577885 -0.580814 5C 2py 0.164100 0.057199 0.341382 -0.090464 -0.005464 1.233739 5C 3pz 0.250478 -0.069656 -0.021262 -0.278286 0.013248 1.291485 5C 3px -0.140363 -0.386935 0.925096 0.193410 0.124619 0.743466 5C 3py -0.233648 0.075030 -0.288964 0.527441 -0.029693 -2.348086 5C 1dz2 0.004011 0.017147 0.021334 -0.020011 -0.011204 0.022795 5C 1dxz -0.005276 0.006951 -0.010017 -0.003817 -0.005744 0.009364 5C 1dyz 0.020072 -0.025952 0.037476 0.006194 -0.015500 -0.032918 5C 1dx2y2 0.000881 -0.029123 0.023643 0.003674 -0.006729 0.042922 5C 1dxy 0.006468 0.013707 0.003932 0.014663 0.001605 -0.005522 5C 2dz2 -0.115488 0.015782 -0.101678 -0.054467 -0.050994 0.396177 5C 2dxz 0.116277 0.036788 -0.110428 0.048171 -0.041035 0.187727 5C 2dyz -0.088493 0.136384 -0.058513 -0.123676 0.076797 0.099995 5C 2dx2y2 0.171583 -0.055247 0.102387 0.054226 0.190768 -0.670701 5C 2dxy -0.096500 -0.011804 -0.122105 -0.145848 -0.217911 0.074124 5C 1f0 -0.002180 -0.010924 0.012103 0.020284 0.015279 -0.059682 5C 1f+1 0.001409 -0.005007 -0.043941 -0.008420 -0.016802 -0.006223 5C 1f-1 -0.024697 0.063076 -0.023825 -0.040291 -0.007957 0.070380 5C 1f+2 -0.004571 0.036583 -0.081919 -0.016529 -0.022093 -0.035217 5C 1f-2 -0.007011 0.003946 0.031708 -0.000808 0.002726 -0.031600 5C 1f+3 -0.019693 0.036367 -0.062597 -0.050202 -0.030361 0.105962 5C 1f-3 0.023827 0.004827 -0.043562 0.004708 -0.008462 -0.066450 6C 1s -0.000777 -0.000133 -0.003730 0.003567 -0.000713 -0.012599 6C 2s -0.004039 0.002363 -0.009839 0.013505 -0.002448 -0.043470 6C 3s 0.221871 -0.134437 -0.028147 -0.224784 -0.043918 0.935452 6C 4s -1.087558 0.450179 0.394837 0.470622 0.499379 -3.008132 6C 5s 0.092914 0.184051 0.098660 0.080103 0.325279 -0.974795 6C 1pz 0.022564 -0.003032 -0.020521 0.036564 0.012742 -0.167840 6C 1px -0.023360 0.026588 0.004836 -0.012201 -0.043905 -0.070905 6C 1py -0.025558 -0.022817 0.043490 -0.076280 -0.000190 0.275347 6C 2pz -0.187034 0.153296 0.368817 0.032266 -0.192599 0.794753 6C 2px 0.408419 -0.535105 -0.899894 -0.282807 0.528643 0.621567 6C 2py 0.154933 -0.008785 -0.339712 0.097219 0.107120 -1.236946 6C 3pz 0.232829 -0.065852 0.043654 0.275451 0.175497 -1.297084 6C 3px -0.127558 -0.578601 -0.823968 -0.184813 0.218821 -0.727596 6C 3py -0.204416 0.127644 0.251734 -0.519644 -0.317301 2.342624 6C 1dz2 -0.003813 -0.012643 0.023936 -0.019637 0.011125 0.023295 6C 1dxz 0.006607 -0.009518 -0.008614 -0.003026 0.003658 0.009501 6C 1dyz -0.022157 0.033930 0.032064 0.004220 0.022033 -0.030536 6C 1dx2y2 -0.001412 0.033951 0.017654 0.002303 0.003193 0.043051 6C 1dxy -0.006924 -0.011951 0.007161 0.014714 -0.000493 -0.005086 6C 2dz2 0.128768 -0.043474 -0.094587 -0.054713 0.007587 0.397809 6C 2dxz -0.110862 -0.056906 -0.101946 0.050009 0.025033 0.194903 6C 2dyz 0.093083 -0.149763 -0.033760 -0.114076 -0.103043 0.087776 6C 2dx2y2 -0.190749 0.085887 0.083797 0.058536 -0.137392 -0.685096 6C 2dxy 0.103220 -0.016146 -0.116674 -0.146174 0.204387 0.092167 6C 1f0 -0.001101 -0.013227 -0.009032 -0.019994 0.010270 0.061352 6C 1f+1 0.000397 0.004128 0.043878 0.008426 -0.015799 0.003953 6C 1f-1 -0.027475 0.068552 0.010775 0.037927 -0.001690 -0.068963 6C 1f+2 -0.006058 0.053550 0.072293 0.015468 -0.027216 0.032475 6C 1f-2 -0.005865 -0.002391 -0.031542 0.001058 -0.001959 0.032773 6C 1f+3 -0.024716 0.051415 0.053569 0.049264 -0.018647 -0.108227 6C 1f-3 0.024136 0.012873 0.041217 -0.004711 -0.016826 0.063837 7C 1s -0.002067 -0.001145 0.002101 -0.004286 -0.000120 0.008309 7C 2s -0.007180 -0.006332 0.004804 -0.011551 -0.002829 0.028999 7C 3s 0.094225 0.216245 0.007221 0.052010 0.186894 -0.781365 7C 4s -0.077913 -0.678001 0.006952 -0.153601 -0.879076 3.104368 7C 5s 0.387622 -0.251829 -0.092618 0.026010 -0.259941 1.463141 7C 1pz 0.002667 -0.059681 -0.025364 -0.012151 0.010026 0.095854 7C 1px -0.035941 -0.013185 -0.021979 0.027731 -0.044624 0.043223 7C 1py -0.009503 -0.033607 -0.017904 -0.013095 -0.002924 0.110942 7C 2pz -0.149254 0.194267 0.105582 0.267129 -0.211497 -0.264871 7C 2px 0.620163 0.239390 0.381081 -1.000516 0.458751 -0.263414 7C 2py 0.144928 0.195276 0.202217 -0.176937 0.035365 -0.392185 7C 3pz 0.483671 -0.318192 0.413394 -0.438508 -0.248320 2.462579 7C 3px 0.032353 0.383586 0.174240 -0.744432 0.103000 0.358789 7C 3py 0.320881 0.048082 0.346176 -0.645640 -0.105017 1.791529 7C 1dz2 -0.001633 0.020705 -0.013833 -0.003555 0.014236 -0.011921 7C 1dxz -0.007267 -0.012821 0.009621 0.001788 0.005186 0.011276 7C 1dyz -0.013782 0.031903 0.000039 -0.000456 0.035728 -0.063089 7C 1dx2y2 -0.001654 -0.020977 0.004599 0.018977 -0.015995 -0.016541 7C 1dxy -0.021044 -0.009499 -0.013011 -0.009621 0.025350 -0.032980 7C 2dz2 0.192910 0.088684 0.298870 -0.235099 -0.088234 0.247134 7C 2dxz -0.191043 0.177767 0.022453 0.008237 -0.005094 0.129953 7C 2dyz -0.029579 -0.055927 0.130777 -0.011292 -0.138490 0.439373 7C 2dx2y2 -0.145249 -0.180323 -0.276992 0.201472 -0.002855 0.063757 7C 2dxy -0.174700 -0.093768 -0.201226 0.201715 -0.111750 0.141714 7C 1f0 0.006776 -0.002643 -0.001830 -0.020212 -0.007520 -0.001025 7C 1f+1 -0.029407 -0.051403 -0.030945 0.074604 -0.025637 0.039260 7C 1f-1 0.009101 0.005302 -0.000881 -0.025243 0.010862 0.040920 7C 1f+2 -0.016693 -0.030415 -0.016369 0.054981 -0.014531 -0.063579 7C 1f-2 -0.022592 -0.039285 -0.018076 0.043742 -0.010125 0.035716 7C 1f+3 -0.028629 -0.024972 -0.022469 0.051377 -0.015709 0.016505 7C 1f-3 -0.018958 -0.009920 -0.008962 0.015428 -0.014193 0.055335 8C 1s 0.001485 -0.001640 -0.002088 -0.000597 -0.000059 0.003680 8C 2s 0.005491 -0.002821 -0.005571 -0.000994 0.000427 0.010314 8C 3s -0.138983 0.055684 0.111856 0.052363 0.026879 -0.148038 8C 4s 0.555295 -0.175417 -0.381430 -0.209064 -0.196622 0.088383 8C 5s -0.607420 -0.071331 0.370441 -0.724306 -0.382132 3.007752 8C 1pz 0.037345 -0.040921 -0.060080 -0.022085 0.008169 0.063895 8C 1px -0.057237 0.092005 0.083708 0.041502 -0.058842 -0.021071 8C 1py -0.050354 0.067635 0.059648 0.049287 -0.007494 -0.066044 8C 2pz 0.025739 -0.296930 0.040381 -0.108030 -0.022635 0.700246 8C 2px 0.105822 0.254125 0.414923 0.111335 0.030153 0.024961 8C 2py 0.373661 -0.178786 -0.040097 -0.225276 -0.112216 0.269702 8C 3pz 0.062871 -0.006216 -0.134264 0.107757 0.066290 -0.500451 8C 3px 0.013545 0.129975 0.223450 0.108593 0.010504 -0.268168 8C 3py -0.073137 0.090352 0.144553 -0.100241 -0.148678 0.743560 8C 1dz2 -0.004197 0.039362 0.009771 0.029437 -0.004114 -0.063811 8C 1dxz -0.040027 0.004360 -0.022596 0.004792 0.006760 -0.007101 8C 1dyz -0.005563 -0.024181 0.010984 -0.029443 0.004847 0.099140 8C 1dx2y2 -0.036032 0.022429 -0.020177 0.006193 0.020683 -0.066176 8C 1dxy -0.003323 0.064787 0.049224 0.040316 -0.008704 -0.072252 8C 2dz2 -0.141104 0.128621 0.021226 0.050789 -0.014961 0.138044 8C 2dxz -0.001783 0.394429 0.448774 0.179154 -0.263680 -0.103037 8C 2dyz -0.135192 0.251345 0.123715 0.216685 -0.034176 -0.571156 8C 2dx2y2 0.182888 -0.464503 -0.285970 -0.150790 0.094443 0.338782 8C 2dxy -0.104622 0.253265 0.393076 0.020044 -0.118127 0.429140 8C 1f0 -0.002422 0.002455 -0.004069 -0.007712 0.013388 -0.033140 8C 1f+1 -0.041470 0.073521 0.090552 0.013981 -0.022781 0.002836 8C 1f-1 -0.015230 0.059346 0.023685 0.033483 -0.015595 -0.052422 8C 1f+2 -0.016011 0.039230 0.031620 0.009238 -0.036119 -0.002832 8C 1f-2 0.024979 -0.070675 -0.072567 -0.014434 0.014098 -0.001309 8C 1f+3 0.006896 -0.014420 -0.036079 -0.006407 0.010502 -0.014303 8C 1f-3 0.054367 -0.056964 -0.076167 -0.013412 0.010919 0.000008 9C 1s 0.000169 0.002622 0.001091 -0.001898 0.001410 -0.002398 9C 2s 0.001911 0.005823 0.003832 -0.005407 0.002890 -0.005485 9C 3s -0.013639 -0.076907 -0.023687 0.051884 -0.115636 0.228434 9C 4s -0.052504 0.120246 -0.219234 0.024163 0.549615 -1.120973 9C 5s -0.643953 0.460384 -0.410908 0.630561 0.332834 -3.374342 9C 1pz 0.040385 0.067886 0.031797 -0.068110 0.054469 -0.073440 9C 1px -0.119660 -0.048289 -0.031207 0.087120 -0.017047 -0.009783 9C 1py -0.029962 0.013660 0.008968 0.004326 0.029449 -0.064666 9C 2pz -0.023696 0.000281 0.146813 -0.070619 -0.287097 0.562335 9C 2px 0.053459 -0.363844 -0.088916 0.364890 -0.116534 0.153951 9C 2py 0.083249 0.127548 0.226246 -0.146141 -0.080877 0.530306 9C 3pz 0.177721 -0.023302 0.114308 -0.282796 -0.056885 0.866780 9C 3px 0.019861 -0.098786 -0.016488 0.156651 -0.061148 0.155376 9C 3py 0.082821 -0.078256 0.080409 -0.063567 -0.085190 0.549017 9C 1dz2 -0.007864 0.011109 0.000104 0.001675 0.026842 0.001609 9C 1dxz 0.011767 0.076602 0.046155 -0.071055 0.015535 0.000865 9C 1dyz 0.001134 0.006312 -0.006445 -0.001395 0.019519 -0.011751 9C 1dx2y2 0.027088 0.005988 0.001590 -0.019135 0.010082 0.000782 9C 1dxy 0.005546 0.024298 0.006494 -0.027718 -0.001033 -0.025090 9C 2dz2 -0.164868 -0.178239 -0.056709 0.250078 -0.163912 -0.025637 9C 2dxz -0.077513 -0.237133 -0.251878 0.202861 0.033189 -0.088396 9C 2dyz 0.205233 0.190242 0.048774 -0.241496 0.168861 -0.278001 9C 2dx2y2 0.373970 0.372777 0.144764 -0.527503 0.145788 -0.009264 9C 2dxy 0.082575 0.140284 -0.002555 -0.186132 0.178081 0.046933 9C 1f0 -0.034689 -0.035933 -0.006199 0.065417 -0.029281 0.006075 9C 1f+1 -0.041554 -0.043320 -0.017097 0.046545 -0.019469 -0.002168 9C 1f-1 0.054826 0.035490 0.019871 -0.061567 0.005971 0.013337 9C 1f+2 0.025984 0.028452 0.000059 -0.043541 0.027523 -0.029095 9C 1f-2 0.003639 -0.037846 -0.000372 0.005229 -0.017528 0.025635 9C 1f+3 -0.037003 -0.002722 0.002790 0.022201 0.008455 -0.021029 9C 1f-3 -0.061493 -0.028881 -0.010779 0.065328 -0.017790 -0.001806 10H 1s -0.171250 -0.101439 0.016384 -0.172980 -0.095446 -0.054397 10H 2s 0.514623 0.676730 -0.451074 0.908527 0.262006 0.222057 10H 3s -0.194767 -0.065350 0.050229 -0.150617 -0.067747 0.037206 10H 1pz 0.240788 0.238486 -0.108168 0.362259 0.181850 0.094415 10H 1px -0.019536 -0.082242 0.120127 -0.087474 0.051325 -0.009448 10H 1py 0.049921 0.099734 -0.024793 0.151941 0.078936 -0.038189 11H 1s 0.067805 -0.024998 0.021712 0.026053 0.002281 0.000851 11H 2s -0.254329 -0.236799 0.263363 -0.399949 -0.074951 0.124758 11H 3s 0.068671 0.087708 -0.012478 0.074115 0.030004 0.160800 11H 1pz 0.100955 0.033051 0.003240 0.055694 0.060796 0.099836 11H 1px -0.332337 -0.259149 0.153533 -0.385818 -0.165835 -0.056016 11H 1py -0.170376 -0.078938 0.005580 -0.153679 -0.088196 -0.020810 12H 1s 0.154836 0.060857 -0.034801 0.141253 0.051156 -0.021941 12H 2s -0.340176 -0.107040 0.035700 -0.351475 0.045487 -0.022152 12H 3s 0.090990 0.080061 -0.027938 0.073007 -0.000550 0.140458 12H 1pz -0.115219 -0.071169 0.025712 -0.115782 -0.112378 -0.089499 12H 1px -0.308813 -0.209926 0.090376 -0.345148 -0.135511 -0.034888 12H 1py 0.021495 0.027733 -0.030850 0.018559 0.066361 -0.030145 13H 1s -0.137537 0.160726 -0.267637 -0.045355 -0.044515 -0.064520 13H 2s 0.244258 -0.737370 1.073551 0.411718 0.269159 -0.626712 13H 3s -0.182953 0.132523 -0.198647 -0.027171 -0.034869 0.012307 13H 1pz 0.055496 -0.150667 0.185105 0.090015 0.034475 -0.049771 13H 1px 0.031201 0.035764 -0.068162 -0.067645 -0.026148 0.315953 13H 1py -0.126059 0.293526 -0.481271 -0.125801 -0.132242 -0.046491 14H 1s 0.126429 -0.131603 0.187951 0.067501 0.060360 -0.019417 14H 2s 0.032185 0.174050 -0.668612 -0.097918 -0.247091 -0.417042 14H 3s -0.018006 -0.100164 0.101842 0.103842 0.064385 -0.056956 14H 1pz 0.141245 -0.156636 0.102735 0.084070 0.069054 -0.006826 14H 1px -0.036764 0.182211 -0.361431 -0.094024 -0.144852 -0.159720 14H 1py 0.097134 -0.177689 0.271852 0.069201 0.096937 -0.053579 15H 1s 0.030286 0.019884 0.043972 -0.041324 0.003678 0.111581 15H 2s -0.254979 0.308527 -0.132691 -0.179813 -0.052640 0.711151 15H 3s -0.050824 -0.122570 0.030096 0.115043 0.056779 -0.212200 15H 1pz 0.028150 -0.089873 0.063997 0.060214 0.019425 -0.278968 15H 1px -0.192608 0.369032 -0.503802 -0.181668 -0.207478 0.032761 15H 1py 0.024063 -0.006547 -0.112478 0.008072 -0.047156 -0.149249 16H 1s 0.061765 0.074894 -0.017857 0.039058 -0.225486 0.034518 16H 2s -0.206359 -0.149192 -0.006951 -0.086833 0.775958 0.006480 16H 3s -0.089339 0.137555 -0.066112 0.181468 -0.084500 0.123665 16H 1pz -0.148025 0.002319 -0.076412 0.000477 0.324174 0.046175 16H 1px -0.190546 0.091215 -0.105003 0.158708 0.259675 0.150804 16H 1py 0.229625 -0.064522 0.097960 -0.171792 -0.273421 -0.124391 17H 1s 0.008398 -0.103782 -0.009788 -0.105318 -0.200790 -0.136228 17H 2s -0.099050 0.265580 -0.049034 0.489228 0.776437 0.436305 17H 3s -0.149418 -0.104381 -0.074459 -0.109900 -0.060141 -0.109987 17H 1pz 0.273147 -0.076503 0.114375 -0.309614 -0.470105 -0.170351 17H 1px -0.065302 -0.045364 -0.008638 -0.062568 -0.032436 -0.057925 17H 1py 0.188754 -0.023219 0.054830 -0.017081 -0.183283 -0.014965 18H 1s -0.007126 0.092736 -0.028440 -0.104334 0.209815 -0.112423 18H 2s 0.093592 -0.250397 0.002169 0.495231 -0.811237 0.350010 18H 3s 0.150985 0.082000 -0.087515 -0.106634 0.075267 -0.102804 18H 1pz 0.266695 -0.087472 -0.089541 0.319645 -0.471899 0.117206 18H 1px -0.069716 -0.041585 0.016490 0.061114 -0.041430 0.054138 18H 1py 0.193838 -0.030134 -0.046520 0.022760 -0.180601 -0.004845 19H 1s -0.061437 -0.079350 -0.000929 0.040903 0.209545 0.056865 19H 2s 0.204108 0.155033 -0.032168 -0.087426 -0.727789 -0.075564 19H 3s 0.090269 -0.147198 -0.032411 0.186545 0.059342 0.127578 19H 1pz -0.152389 0.015070 0.068221 -0.008977 0.315215 -0.012034 19H 1px -0.190162 0.103206 0.078226 -0.165885 0.264677 -0.119833 19H 1py 0.225789 -0.075027 -0.080250 0.173656 -0.271824 0.091096 20H 1s -0.025612 -0.013606 0.045217 -0.039543 -0.019356 0.109200 20H 2s 0.269822 -0.340253 -0.065108 -0.173613 0.000593 0.701369 20H 3s 0.047364 0.131517 0.006528 0.112588 -0.033425 -0.216955 20H 1pz 0.034720 -0.101084 -0.040795 -0.056105 -0.008583 0.276540 20H 1px -0.206097 0.468990 0.410001 0.170322 -0.207545 -0.051008 20H 1py 0.022199 0.015410 0.110207 -0.008897 -0.057222 0.141235 21H 1s -0.132299 0.167887 0.151517 0.062709 -0.059566 -0.020638 21H 2s -0.024620 -0.299140 -0.605286 -0.091656 0.294466 -0.380038 21H 3s 0.014499 0.123120 0.078589 0.102364 -0.055546 -0.065485 21H 1pz 0.145044 -0.180213 -0.067978 -0.080365 0.070232 0.010948 21H 1px -0.043195 0.254679 0.313464 0.089721 -0.165501 0.141114 21H 1py 0.103772 -0.227527 -0.223447 -0.061305 0.091022 0.059556 22H 1s 0.140670 -0.212434 -0.224102 -0.039722 0.051465 -0.062988 22H 2s -0.286555 0.960827 0.895065 0.386582 -0.212381 -0.647827 22H 3s 0.188253 -0.171300 -0.162933 -0.022253 0.039498 0.011374 22H 1pz 0.062113 -0.190776 -0.151368 -0.085208 0.032438 0.050876 22H 1px 0.021209 0.051669 0.058174 0.066820 0.005312 -0.319133 22H 1py -0.136817 0.388217 0.405944 0.114246 -0.136352 0.035915 23H 1s -0.152487 -0.061527 -0.022840 0.137141 -0.048452 -0.026177 23H 2s 0.343289 0.112245 0.030841 -0.351826 -0.052768 -0.028513 23H 3s -0.087774 -0.084498 -0.012999 0.072024 -0.013954 0.145148 23H 1pz -0.108764 -0.068580 -0.011601 0.109580 -0.118944 0.076898 23H 1px -0.315616 -0.223944 -0.054440 0.349142 -0.139181 0.029009 23H 1py 0.019674 0.029538 0.020800 -0.014700 0.065214 0.033995 24H 1s -0.075582 0.026391 0.012015 0.028782 0.002143 0.000776 24H 2s 0.264103 0.278634 0.207512 -0.408913 0.088164 0.130228 24H 3s -0.067691 -0.087929 0.004656 0.074695 -0.048520 0.160536 24H 1pz 0.097191 0.032340 -0.005481 -0.054662 0.068800 -0.094036 24H 1px -0.328133 -0.278108 -0.102118 0.383953 -0.177715 0.042835 24H 1py -0.177342 -0.080802 0.004119 0.156817 -0.084683 0.017112 25H 1s 0.172784 0.100350 -0.002064 -0.171126 0.096365 -0.047591 25H 2s -0.510069 -0.751138 -0.310880 0.919467 -0.320551 0.207279 25H 3s 0.197954 0.071281 0.036775 -0.149774 0.068063 0.039004 25H 1pz 0.237025 0.250140 0.061337 -0.361218 0.190957 -0.080355 25H 1px -0.017063 -0.107081 -0.100658 0.092183 0.032853 0.013738 25H 1py 0.058455 0.101301 0.003597 -0.155043 0.071398 0.040489 26O 1s 0.002722 0.004269 -0.003454 0.005729 -0.000615 -0.002811 26O 2s 0.004776 0.010990 -0.008123 0.012991 -0.003787 -0.012201 26O 3s 0.051705 -0.007521 -0.013917 0.021241 0.050400 0.138047 26O 4s -0.536429 -0.330256 0.324000 -0.462327 -0.161254 -0.401438 26O 5s 0.161448 0.249376 0.593314 -0.629412 -0.233458 -0.264969 26O 1pz -0.017164 0.039834 -0.061531 0.027446 0.012257 -0.046305 26O 1px 0.024349 0.008601 0.000708 0.025800 0.008934 0.022981 26O 1py 0.009185 0.036932 -0.035281 0.062009 0.040136 0.016821 26O 2pz 0.054670 -0.013788 0.038928 -0.001800 0.003832 0.039769 26O 2px 0.170414 0.110050 -0.190645 0.181103 0.035855 0.176783 26O 2py 0.109158 0.019683 -0.055634 0.021230 -0.041415 0.047452 26O 3pz 0.165501 0.526071 -0.150094 0.349924 0.110285 0.047844 26O 3px 0.282324 0.082238 -0.243087 0.506466 0.349503 0.447520 26O 3py 0.185173 0.317071 -0.051083 0.475401 0.283909 0.271472 26O 1dz2 0.002573 0.003092 -0.001733 0.008824 0.001425 0.000017 26O 1dxz 0.003170 0.002094 -0.002804 0.007514 0.001482 0.006624 26O 1dyz 0.004004 0.005657 -0.004836 0.014490 0.007454 0.003306 26O 1dx2y2 0.000335 -0.000832 0.001557 -0.007709 -0.005083 -0.004712 26O 1dxy 0.003247 0.003023 -0.002182 0.004596 0.001452 0.000763 26O 2dz2 0.122785 0.107976 -0.049466 0.154588 0.025214 0.032765 26O 2dxz 0.061187 -0.027710 0.086635 -0.090799 -0.002740 0.120773 26O 2dyz 0.129498 0.123636 0.029476 0.084423 0.076515 0.008381 26O 2dx2y2 -0.033814 -0.030839 -0.011478 -0.094184 -0.082123 -0.126583 26O 2dxy 0.004646 0.016852 0.045474 -0.098710 -0.013471 -0.087246 26O 1f0 -0.002238 -0.001065 0.000798 -0.002184 0.001347 -0.004439 26O 1f+1 -0.004848 -0.003713 0.002909 -0.005526 -0.003984 -0.014781 26O 1f-1 0.001234 0.000424 0.004382 -0.004780 0.001159 -0.005783 26O 1f+2 -0.002071 0.001530 -0.001460 0.006206 0.001820 0.002783 26O 1f-2 0.002828 -0.000754 0.000896 -0.002265 -0.002393 0.004015 26O 1f+3 -0.000509 -0.002864 0.000591 -0.003818 -0.003297 -0.005705 26O 1f-3 -0.007298 -0.005834 0.007843 -0.008260 -0.003708 -0.014617 27O 1s 0.002127 -0.002688 0.003520 0.001887 0.001750 -0.001842 27O 2s 0.004926 -0.005281 0.005612 0.002774 0.002986 -0.001299 27O 3s 0.009603 -0.028341 0.063458 0.043157 0.042384 -0.103199 27O 4s -0.176532 0.367834 -0.448854 -0.327926 -0.434869 0.672010 27O 5s -0.495210 -0.239581 -0.643781 0.150344 0.219643 0.852053 27O 1pz -0.031550 -0.018867 0.056362 0.002588 0.042331 -0.044912 27O 1px 0.013968 -0.041783 0.066558 0.026934 0.004691 -0.011200 27O 1py 0.020586 0.023082 -0.019733 -0.029071 -0.014514 0.024509 27O 2pz 0.028486 0.015575 -0.063275 -0.017848 -0.035959 0.081040 27O 2px 0.119000 -0.070427 0.105883 0.094160 0.171073 -0.456534 27O 2py -0.069895 0.018550 -0.010708 0.028568 -0.025669 0.078363 27O 3pz -0.175973 -0.244285 0.310685 -0.013202 0.145140 0.139814 27O 3px 0.401414 -0.231917 0.843383 0.132946 0.289286 -0.342338 27O 3py -0.031017 0.440298 -0.515675 -0.190060 -0.182128 0.010512 27O 1dz2 -0.000243 0.002100 -0.000363 -0.000858 -0.001922 0.002487 27O 1dxz 0.003147 -0.003115 0.010316 0.003905 0.000905 -0.003054 27O 1dyz -0.002190 0.007628 -0.013671 -0.003908 -0.000863 -0.004201 27O 1dx2y2 -0.001599 0.001619 -0.010464 -0.003230 -0.001047 -0.001271 27O 1dxy -0.002217 0.005107 -0.012227 -0.005644 -0.003042 0.002782 27O 2dz2 0.031834 0.035316 0.110092 -0.008471 -0.030416 -0.035352 27O 2dxz 0.086258 -0.040450 -0.037107 0.033846 -0.012225 -0.016847 27O 2dyz -0.018003 0.169914 -0.131765 -0.014849 -0.050146 -0.108180 27O 2dx2y2 -0.075931 0.109917 -0.209308 -0.080783 -0.070417 0.055933 27O 2dxy 0.032833 0.053138 0.061335 -0.017975 -0.073157 -0.106129 27O 1f0 -0.001000 -0.000025 0.000850 0.001891 -0.000331 -0.006048 27O 1f+1 -0.005277 0.005909 -0.004975 -0.007260 -0.006396 0.019599 27O 1f-1 0.000028 0.000859 -0.000592 0.000483 -0.001593 -0.007063 27O 1f+2 -0.003572 0.001235 0.000275 0.003176 -0.002912 -0.001471 27O 1f-2 0.000064 -0.001423 0.004380 0.003292 -0.001198 -0.000517 27O 1f+3 -0.002901 0.002399 -0.009934 -0.006277 -0.004903 0.013809 27O 1f-3 0.000056 -0.002120 0.007019 0.004612 0.004277 -0.014375 28O 1s -0.004498 0.001242 -0.000562 -0.001922 0.000705 -0.004098 28O 2s -0.012275 0.003944 -0.002603 -0.003214 0.002753 -0.014332 28O 3s 0.028504 -0.020199 0.024274 -0.029245 -0.030780 0.116181 28O 4s 0.232565 0.049076 -0.084965 0.201451 0.134430 -0.232340 28O 5s -0.139145 -0.430973 0.431716 0.257989 -0.019919 0.034337 28O 1pz -0.012569 -0.040484 0.003079 -0.045096 -0.010977 0.004558 28O 1px 0.021516 -0.005164 -0.028392 0.006778 -0.028548 -0.020708 28O 1py -0.012655 -0.028212 -0.032778 -0.013859 -0.033360 -0.060808 28O 2pz -0.010388 0.106783 -0.080118 0.052884 -0.036990 0.074694 28O 2px 0.070320 -0.043840 0.038655 0.068389 0.053441 -0.092985 28O 2py 0.015467 0.051526 -0.000161 0.047666 0.026993 0.062182 28O 3pz -0.489802 -0.403130 0.369445 -0.692731 -0.259587 0.053437 28O 3px 0.160300 -0.208354 -0.073950 0.395808 0.095458 -0.239709 28O 3py -0.267789 -0.381762 0.111666 -0.377147 -0.076638 -0.043865 28O 1dz2 -0.004251 0.000727 0.003770 -0.009121 0.001716 0.001218 28O 1dxz -0.001620 -0.001597 0.000671 -0.001706 0.000754 0.000400 28O 1dyz -0.005560 -0.004110 0.005304 -0.011032 -0.000839 -0.005508 28O 1dx2y2 0.001621 0.001078 -0.003490 0.006382 0.001381 -0.000831 28O 1dxy -0.000955 -0.002247 0.000436 0.001041 0.001117 -0.002293 28O 2dz2 -0.104977 -0.012209 0.110544 -0.008858 0.037782 0.037638 28O 2dxz -0.102316 -0.026874 0.043873 -0.119633 0.001677 0.035792 28O 2dyz -0.137483 -0.142892 0.131406 -0.087354 -0.030521 -0.039820 28O 2dx2y2 0.077163 0.008387 -0.091405 0.101127 -0.002899 -0.136119 28O 2dxy -0.070030 -0.090382 0.002381 -0.064977 -0.005268 -0.106177 28O 1f0 0.003970 -0.001085 -0.002270 0.004599 0.000536 -0.005744 28O 1f+1 0.001384 0.001321 -0.000072 0.008803 0.003119 -0.008332 28O 1f-1 0.000059 0.001527 -0.004413 0.006742 -0.004270 0.005001 28O 1f+2 -0.002595 0.001136 0.001938 -0.010048 -0.003118 0.010589 28O 1f-2 0.001784 0.002477 -0.003387 0.004878 0.000494 -0.000927 28O 1f+3 -0.002384 0.004721 -0.001861 0.001057 -0.001029 0.002308 28O 1f-3 -0.000996 -0.000412 -0.001097 -0.001102 0.000361 -0.000337 29O 1s 0.009184 -0.001915 -0.000856 -0.003635 -0.008706 -0.002968 29O 2s 0.029893 -0.006368 -0.002197 -0.012752 -0.031996 -0.010339 29O 3s -0.176646 0.041867 0.002483 0.097831 0.285294 0.083452 29O 4s 0.186984 -0.054210 0.016433 -0.139820 -0.623317 -0.144249 29O 5s 0.319506 -0.091043 0.098265 -0.313667 -0.232388 -0.163690 29O 1pz -0.018360 0.118856 -0.040166 0.079567 -0.040331 0.120152 29O 1px 0.128546 0.021022 0.059510 -0.037417 0.049721 0.090260 29O 1py -0.088618 0.011564 -0.058128 0.062937 0.047044 0.003963 29O 2pz -0.004284 -0.226491 0.053271 -0.277617 0.113578 -0.247420 29O 2px -0.147049 -0.070859 -0.066957 -0.078464 -0.214185 -0.218417 29O 2py 0.076243 0.011594 0.043761 0.006055 0.142032 0.063580 29O 3pz -0.118913 0.084782 -0.071414 0.049977 0.103859 0.120933 29O 3px 0.278954 -0.022082 0.164267 -0.121420 -0.241408 0.011403 29O 3py -0.330774 0.073575 -0.067649 0.237225 0.533661 0.157734 29O 1dz2 -0.000110 -0.000225 0.000295 -0.002041 0.000298 -0.000813 29O 1dxz 0.000860 0.000304 0.000764 0.002067 0.000256 0.002698 29O 1dyz 0.000770 -0.001009 0.000740 -0.005606 -0.000113 -0.004024 29O 1dx2y2 -0.003065 0.000221 -0.003243 0.002059 0.001477 -0.002008 29O 1dxy -0.001159 0.000019 -0.000236 -0.001832 -0.001180 -0.002891 29O 2dz2 -0.277711 0.044918 -0.098207 0.191971 0.408187 0.119949 29O 2dxz -0.132996 0.075729 -0.055216 0.116644 0.265061 0.133426 29O 2dyz 0.143740 -0.033364 0.071298 -0.059995 -0.169540 -0.081930 29O 2dx2y2 -0.183818 0.046771 -0.078780 0.066175 0.123375 0.011851 29O 2dxy -0.207157 0.049930 -0.113913 0.166838 0.257550 0.084548 29O 1f0 -0.006937 0.000883 -0.002314 0.004960 0.024920 0.005267 29O 1f+1 0.004017 -0.000881 0.001319 -0.005302 -0.010832 -0.002948 29O 1f-1 -0.006239 -0.004321 -0.000183 -0.001945 0.028078 0.001265 29O 1f+2 0.002367 0.000695 0.001335 0.002054 -0.003767 0.003213 29O 1f-2 -0.002452 0.011850 -0.001983 0.019018 0.022647 0.014982 29O 1f+3 -0.002086 -0.001582 0.000305 -0.002492 0.005908 0.001589 29O 1f-3 -0.003723 -0.004980 -0.002014 -0.005371 -0.001494 -0.003153 30O 1s -0.001013 0.002360 -0.003775 -0.002587 0.000863 0.000610 30O 2s -0.002030 0.007116 -0.009084 -0.007644 0.003915 0.003347 30O 3s -0.006442 -0.025162 0.003326 0.034522 -0.046296 -0.070118 30O 4s 0.124507 -0.118766 0.192220 0.013696 0.191547 0.281379 30O 5s -0.275195 0.421764 0.172893 0.055862 0.225256 0.828877 30O 1pz 0.027822 0.030401 -0.072556 -0.009075 -0.019650 -0.038371 30O 1px 0.020280 0.026103 -0.015441 0.000266 0.001775 -0.064505 30O 1py 0.000230 -0.021116 0.019834 0.028029 0.023649 -0.022356 30O 2pz -0.036177 -0.027380 0.042144 0.041702 -0.012401 -0.171450 30O 2px 0.003970 -0.035608 0.077836 -0.004079 0.051126 0.257190 30O 2py 0.020474 0.026778 -0.005554 -0.089441 -0.030198 0.296445 30O 3pz 0.043365 0.313821 -0.542002 -0.336928 -0.393117 0.136011 30O 3px 0.068157 0.303200 0.130401 0.049174 0.238493 0.198696 30O 3py -0.107727 -0.504834 0.634390 0.546333 0.464096 -0.229172 30O 1dz2 -0.002223 0.000377 -0.002620 -0.000338 0.001624 -0.002377 30O 1dxz -0.000293 0.001415 -0.003113 -0.005465 -0.002132 0.005852 30O 1dyz 0.002326 -0.002733 0.011362 0.004211 0.003379 -0.005139 30O 1dx2y2 -0.000459 0.000786 0.008633 0.002931 0.003982 -0.003597 30O 1dxy -0.000863 -0.002653 0.004162 0.005319 0.002822 -0.007595 30O 2dz2 -0.058752 -0.051497 0.048739 0.033278 0.064395 -0.020160 30O 2dxz -0.014195 0.071130 -0.119301 -0.096272 -0.097630 0.072288 30O 2dyz 0.069814 -0.119438 0.032309 0.012017 0.063235 -0.210266 30O 2dx2y2 0.007817 0.020034 0.019411 -0.013115 0.102979 -0.092953 30O 2dxy -0.007852 -0.103529 0.139768 0.117181 0.088231 -0.076701 30O 1f0 0.001470 0.001062 -0.000178 -0.006725 0.000080 0.019486 30O 1f+1 -0.000891 0.000043 -0.000282 0.001071 -0.000648 0.000163 30O 1f-1 0.001278 -0.003178 0.002648 0.001477 0.001080 0.002355 30O 1f+2 0.003257 -0.003381 -0.003706 -0.002506 -0.003594 0.000826 30O 1f-2 -0.002561 0.002758 -0.010527 -0.000681 -0.001409 -0.014756 30O 1f+3 -0.001552 -0.000569 0.009010 0.000755 -0.000249 0.003224 30O 1f-3 -0.001339 0.001078 -0.003585 0.001341 -0.003192 -0.005767 31O 1s 0.001161 -0.003134 -0.003096 -0.002541 -0.001064 0.000490 31O 2s 0.002468 -0.008989 -0.007158 -0.007510 -0.004814 0.002836 31O 3s 0.003976 0.026391 -0.001804 0.034047 0.058550 -0.064597 31O 4s -0.123178 0.155225 0.155030 0.011926 -0.230089 0.260417 31O 5s 0.290213 -0.391335 0.257662 0.062696 -0.315364 0.810754 31O 1pz 0.027731 0.042857 0.064460 0.007335 -0.022967 0.034313 31O 1px 0.022402 0.027877 0.010564 -0.001631 -0.003157 0.063669 31O 1py 0.000360 -0.025842 -0.015872 -0.028065 0.024239 0.025225 31O 2pz -0.031348 -0.036966 -0.037582 -0.039922 -0.031584 0.172976 31O 2px -0.000697 -0.048906 -0.066756 0.004641 0.079643 -0.250895 31O 2py 0.014051 0.032583 0.003333 0.089746 -0.003951 -0.300576 31O 3pz 0.015766 0.432879 0.464153 0.327294 -0.374361 -0.174397 31O 3px 0.071574 0.269783 -0.182486 -0.055574 0.265171 -0.179192 31O 3py -0.075503 -0.645521 -0.517941 -0.535296 0.443260 0.280935 31O 1dz2 0.002268 -0.000854 -0.002407 -0.000269 -0.001362 -0.002611 31O 1dxz 0.000593 -0.002139 -0.002726 -0.005403 0.001706 0.006050 31O 1dyz -0.002763 0.005151 0.010369 0.004088 -0.002935 -0.005480 31O 1dx2y2 0.000147 0.001173 0.008499 0.002992 -0.003963 -0.004048 31O 1dxy 0.000532 0.003586 0.003534 0.005224 -0.002069 -0.007936 31O 2dz2 0.058071 0.059857 0.038129 0.031646 -0.060518 -0.028296 31O 2dxz 0.021760 -0.096366 -0.100431 -0.094131 0.092222 0.080627 31O 2dyz -0.077746 0.127747 0.005645 0.009519 -0.038183 -0.215920 31O 2dx2y2 -0.013015 -0.013814 0.020544 -0.010558 -0.096987 -0.104370 31O 2dxy -0.000303 0.133912 0.115027 0.114875 -0.080421 -0.085970 31O 1f0 0.000941 0.001479 0.000165 0.006708 0.002212 -0.019465 31O 1f+1 -0.000932 0.000189 0.000239 -0.001036 -0.000418 -0.000207 31O 1f-1 0.001250 -0.003623 -0.001921 -0.001320 0.001428 -0.002333 31O 1f+2 0.003173 -0.002473 0.004300 0.002708 -0.003667 -0.001306 31O 1f-2 -0.002579 0.004983 0.009649 0.000571 -0.003267 0.014606 31O 1f+3 -0.001318 -0.002512 -0.008720 -0.000658 0.000108 -0.003052 31O 1f-3 -0.001216 0.001752 0.003130 -0.001303 -0.004214 0.005477 32O 1s -0.009149 0.001170 -0.001106 -0.003403 0.008356 -0.001836 32O 2s -0.029745 0.004028 -0.003093 -0.012060 0.030849 -0.006252 32O 3s 0.174964 -0.029346 0.010021 0.095372 -0.278335 0.048941 32O 4s -0.183083 0.042539 0.004129 -0.139838 0.614100 -0.072995 32O 5s -0.314705 0.094358 0.066658 -0.327408 0.229802 -0.135315 32O 1pz -0.015634 0.120679 0.009812 -0.078584 -0.025730 -0.119456 32O 1px 0.127639 0.008032 -0.058229 0.042912 0.056365 -0.084656 32O 1py -0.086308 0.025220 0.050063 -0.068926 0.045781 -0.001054 32O 2pz -0.006322 -0.228020 -0.005396 0.281208 0.062004 0.254086 32O 2px -0.146597 -0.051884 0.074228 0.075090 -0.234237 0.194647 32O 2py 0.074395 -0.005174 -0.041615 0.002771 0.145081 -0.042443 32O 3pz -0.111772 0.091889 0.045314 -0.047131 0.099612 -0.099726 32O 3px 0.280704 -0.054079 -0.148285 0.130650 -0.243404 -0.038372 32O 3py -0.326340 0.073678 0.044665 -0.245525 0.527858 -0.098614 32O 1dz2 0.000113 0.000256 0.000414 -0.001740 0.000037 -0.000815 32O 1dxz -0.000867 -0.000150 0.000806 0.002260 -0.000654 0.002729 32O 1dyz -0.000770 0.001112 0.000560 -0.005723 0.000957 -0.003981 32O 1dx2y2 0.003036 -0.000830 -0.003060 0.002266 -0.001454 -0.002177 32O 1dxy 0.001157 -0.000063 -0.000204 -0.001764 0.001576 -0.002734 32O 2dz2 0.284144 -0.056717 -0.085928 0.200366 -0.413772 0.075916 32O 2dxz 0.126555 -0.075877 -0.032205 0.114010 -0.256513 0.100666 32O 2dyz -0.128070 0.038656 0.053493 -0.051840 0.147055 -0.056219 32O 2dx2y2 0.181712 -0.056711 -0.062973 0.065138 -0.118731 -0.005371 32O 2dxy 0.212562 -0.068949 -0.097390 0.176873 -0.266098 0.057337 32O 1f0 -0.006405 0.001131 0.001854 -0.005117 0.022953 -0.002652 32O 1f+1 0.004202 -0.001283 -0.001169 0.006153 -0.012304 0.002249 32O 1f-1 -0.006358 -0.004338 0.000788 0.001386 0.027852 0.001417 32O 1f+2 0.002417 0.000382 -0.001233 -0.001730 -0.004397 -0.003438 32O 1f-2 -0.001909 0.011436 -0.000392 -0.019387 0.023282 -0.012424 32O 1f+3 -0.002140 -0.001253 -0.000059 0.001887 0.006182 -0.001490 32O 1f-3 -0.004020 -0.004295 0.002814 0.005396 -0.001690 0.002969 33O 1s 0.004409 -0.001326 -0.000189 -0.001795 -0.000239 -0.004237 33O 2s 0.011932 -0.004350 -0.001470 -0.002825 -0.001111 -0.014821 33O 3s -0.025659 0.023828 0.019205 -0.030593 0.016632 0.119811 33O 4s -0.235948 -0.063217 -0.078665 0.198224 -0.108353 -0.241502 33O 5s 0.122805 0.532529 0.331537 0.228452 0.102910 0.031874 33O 1pz -0.014577 -0.039684 0.004925 0.047265 -0.009376 -0.005199 33O 1px 0.020698 0.001856 0.030033 -0.006759 -0.026518 0.019137 33O 1py -0.012854 -0.020257 0.037188 0.013924 -0.035634 0.057503 33O 2pz -0.011177 0.123532 0.056809 -0.061261 -0.014157 -0.077783 33O 2px 0.073834 -0.054220 -0.027923 -0.063623 0.030823 0.094804 33O 2py 0.015430 0.051338 -0.008916 -0.050175 0.035797 -0.059631 33O 3pz -0.476452 -0.470510 -0.294210 0.693120 -0.282941 -0.068503 33O 3px 0.165027 -0.196086 0.124744 -0.383443 0.064184 0.253098 33O 3py -0.260493 -0.395112 -0.038090 0.381852 -0.102181 0.043376 33O 1dz2 0.004490 0.000062 0.004011 -0.009199 -0.001591 0.001073 33O 1dxz 0.001469 0.001760 0.000317 -0.001762 -0.000349 0.000287 33O 1dyz 0.005443 0.005012 0.004552 -0.011096 0.001785 -0.005372 33O 1dx2y2 -0.001521 -0.001760 -0.003251 0.006379 -0.001586 -0.001004 33O 1dxy 0.000813 0.002324 -0.000025 0.000986 -0.000686 -0.002444 33O 2dz2 0.103463 0.038887 0.109781 -0.011047 -0.028910 0.034110 33O 2dxz 0.100012 0.035313 0.039973 -0.118482 -0.001576 0.034196 33O 2dyz 0.133123 0.168960 0.103164 -0.090614 0.051169 -0.038384 33O 2dx2y2 -0.076135 -0.026965 -0.090148 0.100282 0.008004 -0.135795 33O 2dxy 0.067077 0.086499 -0.015472 -0.063832 0.015460 -0.107727 33O 1f0 0.004096 -0.000779 0.002494 -0.004403 -0.000240 0.005780 33O 1f+1 0.001630 0.001116 -0.000203 -0.008696 0.001777 0.008461 33O 1f-1 -0.000043 0.002540 0.004103 -0.006992 -0.003037 -0.005366 33O 1f+2 -0.002957 0.000801 -0.002223 0.009997 -0.001691 -0.010768 33O 1f-2 0.001744 0.003081 0.002759 -0.004919 0.000411 0.000892 33O 1f+3 -0.002518 0.004976 0.000648 -0.001190 -0.000261 -0.002478 33O 1f-3 -0.000995 -0.000034 0.001194 0.000969 0.000365 0.000459 34O 1s -0.002253 0.003441 0.002893 0.001731 -0.001792 -0.002014 34O 2s -0.005006 0.006420 0.004431 0.002383 -0.003630 -0.001650 34O 3s -0.015167 0.043488 0.055599 0.043670 -0.026770 -0.106014 34O 4s 0.209424 -0.471403 -0.361152 -0.321504 0.362092 0.710624 34O 5s 0.522495 0.103559 -0.655345 0.151396 -0.302781 0.806480 34O 1pz -0.028385 -0.029647 -0.051434 -0.000980 0.037849 0.050384 34O 1px 0.015884 -0.055170 -0.055968 -0.025931 0.003075 0.010958 34O 1py 0.016488 0.029845 0.015863 0.028488 -0.010834 -0.026921 34O 2pz 0.023471 0.029064 0.059227 0.016249 -0.026442 -0.086424 34O 2px 0.133021 -0.097493 -0.086598 -0.092856 0.124893 0.469178 34O 2py -0.068549 0.017984 0.004172 -0.028770 -0.020158 -0.078142 34O 3pz -0.173184 -0.301742 -0.255738 0.019955 0.155845 -0.113364 34O 3px 0.418498 -0.399435 -0.759770 -0.120927 0.255366 0.360881 34O 3py -0.038421 0.540890 0.414617 0.177639 -0.188180 -0.033229 34O 1dz2 0.000430 -0.002305 -0.000018 -0.000783 0.001677 0.002607 34O 1dxz -0.003501 0.005341 0.009340 0.003722 -0.000564 -0.003067 34O 1dyz 0.002484 -0.010412 -0.011743 -0.003630 0.001434 -0.004113 34O 1dx2y2 0.001814 -0.003876 -0.009905 -0.003179 0.001167 -0.001269 34O 1dxy 0.002756 -0.007793 -0.010888 -0.005398 0.002722 0.002997 34O 2dz2 -0.033453 -0.013523 0.112248 -0.008277 0.036400 -0.032164 34O 2dxz -0.085042 0.033873 -0.044904 0.033403 0.015078 -0.013338 34O 2dyz 0.017350 -0.193489 -0.093117 -0.011603 0.065601 -0.101164 34O 2dx2y2 0.078614 -0.150971 -0.179460 -0.077957 0.066889 0.060077 34O 2dxy -0.037517 -0.037968 0.069849 -0.017009 0.082791 -0.097379 34O 1f0 -0.000743 -0.000328 -0.000867 -0.001894 -0.000921 0.006017 34O 1f+1 -0.005935 0.007189 0.003600 0.007041 -0.004207 -0.019955 34O 1f-1 0.000196 0.000866 0.000395 -0.000553 -0.002272 0.006901 34O 1f+2 -0.003559 0.001117 -0.000579 -0.003292 -0.002707 0.001273 34O 1f-2 0.000350 -0.002540 -0.004095 -0.003185 -0.001351 0.000407 34O 1f+3 -0.003574 0.004670 0.009191 0.006113 -0.003227 -0.014198 34O 1f-3 0.000637 -0.003717 -0.006400 -0.004524 0.002523 0.014761 35O 1s -0.002758 -0.004881 -0.002634 0.005813 0.000614 -0.002663 35O 2s -0.004961 -0.012399 -0.006023 0.013238 0.004383 -0.011633 35O 3s -0.049264 0.004061 -0.015345 0.020640 -0.066988 0.133009 35O 4s 0.529729 0.393019 0.263711 -0.468366 0.236982 -0.392443 35O 5s -0.179020 -0.124404 0.623343 -0.617533 0.313557 -0.219882 35O 1pz -0.019002 0.053262 0.051736 -0.030158 0.014806 0.047070 35O 1px 0.023828 0.008154 -0.003192 -0.025621 0.011756 -0.023574 35O 1py 0.007868 0.042168 0.027899 -0.062488 0.042395 -0.012930 35O 2pz 0.057813 -0.024242 -0.034054 0.004116 0.001027 -0.038577 35O 2px 0.166401 0.147642 0.170469 -0.183042 0.075500 -0.171079 35O 2py 0.109468 0.032182 0.052756 -0.021622 -0.027846 -0.051369 35O 3pz 0.165259 0.548386 0.044711 -0.361521 0.118581 -0.043769 35O 3px 0.273263 0.129832 0.223524 -0.499475 0.412768 -0.410655 35O 3py 0.184621 0.321272 -0.007149 -0.479685 0.315037 -0.246265 35O 1dz2 -0.002627 -0.003325 -0.001067 0.008872 -0.001533 -0.000021 35O 1dxz -0.003083 -0.002581 -0.002291 0.007498 -0.002402 0.006546 35O 1dyz -0.003988 -0.006454 -0.003643 0.014492 -0.007807 0.002774 35O 1dx2y2 -0.000414 0.001086 0.001359 -0.007709 0.005576 -0.004165 35O 1dxy -0.003274 -0.003273 -0.001545 0.004553 -0.001599 0.000778 35O 2dz2 -0.123821 -0.113953 -0.028517 0.155056 -0.029005 0.032594 35O 2dxz -0.060757 0.046154 0.078547 -0.093564 -0.002549 0.123167 35O 2dyz -0.133550 -0.113903 0.049850 0.085450 -0.068546 0.005035 35O 2dx2y2 0.033624 0.026421 -0.017797 -0.093587 0.094849 -0.118672 35O 2dxy -0.007229 -0.005773 0.049123 -0.099157 0.027898 -0.082283 35O 1f0 -0.002158 -0.001137 -0.000646 0.002196 0.000695 0.004562 35O 1f+1 -0.004511 -0.004300 -0.002228 0.005555 -0.005935 0.014392 35O 1f-1 0.001383 -0.000625 -0.004386 0.004842 -0.000035 0.005858 35O 1f+2 -0.002086 0.001692 0.001073 -0.006297 0.002353 -0.002617 35O 1f-2 0.002847 -0.000848 -0.000533 0.002172 -0.001865 -0.004116 35O 1f+3 -0.000325 -0.002818 0.000040 0.003797 -0.004272 0.005304 35O 1f-3 -0.006983 -0.007243 -0.006610 0.008239 -0.005996 0.014283 438 439 440 441 442 443 2.46766 2.51376 2.51427 2.52190 2.54572 2.55019 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s -0.003659 0.000879 0.000395 -0.000491 -0.000174 -0.000274 0Rh 2s 0.018415 -0.004864 -0.001902 0.002171 0.000630 0.001201 0Rh 3s -0.010380 0.002231 0.001175 -0.001576 -0.000644 -0.000888 0Rh 4s -0.094069 0.025051 0.009720 -0.011222 -0.003240 -0.006225 0Rh 5s 0.136291 -0.041013 -0.013293 0.016192 0.003422 0.009000 0Rh 6s 0.080191 0.003996 -0.012846 0.004960 0.008475 0.002942 0Rh 7s -0.522344 0.005599 0.066602 -0.010668 -0.043499 0.008289 0Rh 8s -0.276789 -0.127649 0.075627 0.224171 -0.023931 0.115360 0Rh 1pz 0.009803 -0.006101 0.000127 0.007805 -0.003783 0.001373 0Rh 1px -0.002196 -0.005073 0.001049 0.003587 -0.000581 0.000749 0Rh 1py 0.000555 0.007329 0.000387 0.006960 -0.002636 0.003247 0Rh 2pz -0.035141 0.022273 -0.000415 -0.028445 0.013717 -0.005002 0Rh 2px 0.007724 0.018425 -0.003780 -0.012892 0.002016 -0.002684 0Rh 2py -0.002061 -0.026641 -0.001234 -0.025425 0.009576 -0.011893 0Rh 3pz 0.033413 -0.029185 -0.000551 0.036363 -0.015300 0.006503 0Rh 3px -0.004401 -0.022022 0.003755 0.012425 -0.000214 0.002357 0Rh 3py 0.003581 0.032623 -0.002141 0.033588 -0.011688 0.016381 0Rh 4pz 0.105783 -0.034790 0.005686 0.047278 -0.037858 0.006752 0Rh 4px -0.034761 -0.038796 0.011397 0.040111 -0.015001 0.009334 0Rh 4py -0.001742 0.050970 0.018175 0.038828 -0.016895 0.015046 0Rh 5pz -0.179280 0.051947 -0.012166 -0.065015 0.093155 -0.003173 0Rh 5px 0.052938 0.065440 -0.018517 -0.070264 0.036453 -0.013772 0Rh 5py 0.016844 -0.078253 -0.038682 -0.054470 0.016768 -0.015487 0Rh 6pz -0.516716 0.343132 0.018027 -0.809722 -0.198480 -0.087580 0Rh 6px 0.003570 0.392893 -0.072979 -0.291832 -0.144692 -0.105181 0Rh 6py -0.503919 -0.721570 0.148481 -0.617668 0.375776 -0.513565 0Rh 1dz2 -0.008346 0.008188 0.010662 -0.009404 -0.005380 -0.014193 0Rh 1dxz -0.012395 -0.005637 0.002169 0.005786 0.002401 -0.000652 0Rh 1dyz -0.000216 -0.003442 0.020575 -0.007053 -0.000902 -0.007376 0Rh 1dx2y2 0.013600 -0.008969 0.005159 0.007258 0.000902 -0.004197 0Rh 1dxy 0.008474 0.004679 0.004554 0.011633 -0.004645 0.001470 0Rh 2dz2 0.002563 -0.001138 -0.006652 0.001327 -0.004087 0.001234 0Rh 2dxz 0.001800 -0.002035 0.000831 0.002029 0.000829 0.001194 0Rh 2dyz 0.001293 -0.002333 -0.017651 0.002501 -0.009773 0.001999 0Rh 2dx2y2 -0.004251 0.001048 -0.001760 -0.002097 -0.001564 -0.000526 0Rh 2dxy -0.001386 0.000306 -0.006905 0.000976 -0.003648 0.000745 0Rh 3dz2 0.011694 -0.017783 0.000612 0.020248 0.033809 0.034585 0Rh 3dxz 0.026443 0.025027 -0.009883 -0.025594 -0.010523 -0.003463 0Rh 3dyz -0.005261 0.020237 0.022877 0.008405 0.047100 0.011417 0Rh 3dx2y2 -0.018938 0.020366 -0.006289 -0.010953 0.004610 0.014407 0Rh 3dxy -0.017475 -0.014565 0.018787 -0.037175 0.029788 -0.007638 0Rh 4dz2 0.039048 -0.017276 -0.106917 0.022230 -0.064667 0.016544 0Rh 4dxz 0.026154 -0.031907 0.013293 0.033811 0.012963 0.016607 0Rh 4dyz 0.023326 -0.036010 -0.277967 0.039129 -0.153897 0.036130 0Rh 4dx2y2 -0.059692 0.016731 -0.030070 -0.031424 -0.024596 -0.010996 0Rh 4dxy -0.017753 0.006876 -0.109649 0.016378 -0.058777 0.013563 0Rh 5dz2 -0.237389 0.114151 0.460944 -0.168991 0.189102 -0.171919 0Rh 5dxz -0.180885 0.086597 -0.030750 -0.107125 -0.027430 -0.055033 0Rh 5dyz -0.202665 0.083804 1.117560 -0.195130 0.548243 -0.256078 0Rh 5dx2y2 0.270733 -0.141077 0.158310 0.180401 0.093141 0.028462 0Rh 5dxy 0.079502 -0.019598 0.418971 0.028139 0.182561 -0.058653 0Rh 1f0 -0.016347 -0.091567 -0.040733 -0.092021 0.041863 -0.044135 0Rh 1f+1 0.036284 0.025764 0.039895 -0.067053 0.005135 0.011420 0Rh 1f-1 -0.207747 -0.000260 -0.062812 -0.226624 0.046274 -0.093406 0Rh 1f+2 -0.028746 -0.192427 -0.006206 0.145732 0.022749 0.028985 0Rh 1f-2 0.162745 -0.095785 0.125107 -0.064114 0.001978 -0.022320 0Rh 1f+3 -0.106978 0.114000 -0.013266 0.017443 -0.013672 0.028557 0Rh 1f-3 -0.123749 -0.122171 -0.053496 -0.037503 0.019543 -0.049360 1Rh 1s -0.003604 -0.000657 0.000643 0.000444 -0.000186 0.000235 1Rh 2s 0.017952 0.003776 -0.003198 -0.001935 0.000664 -0.001061 1Rh 3s -0.010334 -0.001579 0.001849 0.001447 -0.000696 0.000743 1Rh 4s -0.091696 -0.019480 0.016404 0.010008 -0.003416 0.005501 1Rh 5s 0.131747 0.033072 -0.024005 -0.014329 0.003567 -0.008200 1Rh 6s 0.082992 -0.009363 -0.012244 -0.004540 0.008933 -0.001307 1Rh 7s -0.520457 0.019918 0.062305 0.013187 -0.043229 -0.014175 1Rh 8s -0.273615 0.151194 0.021956 -0.229627 -0.008480 -0.119327 1Rh 1pz -0.009785 -0.005657 0.002150 0.007598 0.003607 0.002158 1Rh 1px 0.002043 -0.005069 0.000892 0.003525 0.000549 0.000800 1Rh 1py -0.000267 0.006665 -0.002857 0.006843 0.002123 0.003907 1Rh 2pz 0.035059 0.020638 -0.007895 -0.027688 -0.013075 -0.007848 1Rh 2px -0.007180 0.018403 -0.003262 -0.012671 -0.001903 -0.002851 1Rh 2py 0.001028 -0.024290 0.010220 -0.025000 -0.007696 -0.014290 1Rh 3pz -0.032899 -0.026702 0.011345 0.035393 0.014462 0.009673 1Rh 3px 0.003918 -0.021785 0.004538 0.012283 0.000161 0.002131 1Rh 3py -0.002554 0.031067 -0.008985 0.033041 0.009081 0.019250 1Rh 4pz -0.107449 -0.033867 0.007734 0.045988 0.036900 0.014600 1Rh 4px 0.032970 -0.039721 0.003921 0.039055 0.014369 0.011704 1Rh 4py 0.004735 0.040772 -0.034877 0.038210 0.014635 0.019766 1Rh 5pz 0.183401 0.052054 -0.008281 -0.062888 -0.091893 -0.022290 1Rh 5px -0.050686 0.066673 -0.006728 -0.067667 -0.035383 -0.019583 1Rh 5py -0.022718 -0.058716 0.064503 -0.054007 -0.014601 -0.022002 1Rh 6pz 0.492044 0.304582 -0.147163 -0.797556 0.190591 -0.050922 1Rh 6px 0.042730 0.387731 -0.097204 -0.299292 0.144421 -0.078370 1Rh 6py 0.503576 -0.728264 0.089086 -0.599729 -0.294796 -0.584693 1Rh 1dz2 -0.008689 -0.003680 0.013239 0.009152 -0.007649 0.012995 1Rh 1dxz -0.013327 0.006054 0.000225 -0.005803 0.002068 0.001003 1Rh 1dyz -0.000187 0.010430 0.018123 0.006540 -0.001772 0.006882 1Rh 1dx2y2 0.014034 0.009993 0.001252 -0.007282 -0.000222 0.004196 1Rh 1dxy 0.008379 -0.002885 0.005710 -0.011498 -0.004361 -0.002545 1Rh 2dz2 0.002572 -0.001270 -0.006640 -0.000983 -0.003843 -0.002070 1Rh 2dxz 0.001856 0.002158 -0.000000 -0.002042 0.000948 -0.001025 1Rh 2dyz 0.001094 -0.003957 -0.017367 -0.001662 -0.009334 -0.004028 1Rh 2dx2y2 -0.004451 -0.001531 -0.001189 0.002134 -0.001533 0.000174 1Rh 2dxy -0.001513 -0.002686 -0.006337 -0.000693 -0.003444 -0.001494 1Rh 3dz2 0.012606 0.016183 -0.006678 -0.021114 0.039133 -0.027388 1Rh 3dxz 0.028781 -0.026767 -0.000657 0.025699 -0.010100 0.001711 1Rh 3dyz -0.004450 -0.011125 0.028432 -0.010791 0.047502 -0.000777 1Rh 3dx2y2 -0.019238 -0.020979 0.002050 0.010841 0.007675 -0.012795 1Rh 3dxy -0.016634 0.020408 0.012935 0.035501 0.028046 0.014104 1Rh 4dz2 0.039242 -0.021341 -0.106447 -0.016777 -0.061489 -0.029820 1Rh 4dxz 0.027126 0.033937 0.000159 -0.034028 0.014358 -0.013999 1Rh 4dyz 0.020416 -0.063056 -0.273279 -0.025957 -0.146173 -0.068032 1Rh 4dx2y2 -0.062847 -0.025205 -0.020845 0.032149 -0.024692 0.005449 1Rh 4dxy -0.019762 -0.044547 -0.099931 -0.011818 -0.055284 -0.025686 1Rh 5dz2 -0.243119 0.057081 0.477124 0.147818 0.161726 0.210184 1Rh 5dxz -0.193796 -0.089393 0.008912 0.108007 -0.032175 0.048867 1Rh 5dyz -0.194933 0.312149 1.078662 0.144543 0.502710 0.366257 1Rh 5dx2y2 0.288701 0.182525 0.088401 -0.184187 0.088599 -0.009101 1Rh 5dxy 0.086828 0.163330 0.382133 -0.043933 0.168762 0.095134 1Rh 1f0 0.018163 -0.070831 0.067910 -0.091986 -0.035510 -0.052183 1Rh 1f+1 -0.037830 0.010304 -0.047583 -0.066112 -0.007978 0.010954 1Rh 1f-1 0.203904 0.020436 0.054444 -0.224054 -0.033514 -0.102603 1Rh 1f+2 0.028105 -0.176667 0.077081 0.145321 -0.024307 0.023905 1Rh 1f-2 -0.165744 -0.132399 -0.084259 -0.061982 0.001923 -0.021816 1Rh 1f+3 0.104903 0.110327 -0.026718 0.018043 0.009245 0.030607 1Rh 1f-3 0.117682 -0.095482 0.094355 -0.038150 -0.010915 -0.053082 2C 1s 0.002589 -0.002068 -0.000460 0.001167 -0.002585 0.000255 2C 2s 0.008323 -0.005056 -0.002484 0.000416 -0.007051 -0.000112 2C 3s -0.009476 0.164915 0.147477 -0.254884 0.284477 -0.068487 2C 4s -0.537470 -0.690415 -0.182140 1.801710 -1.179212 0.539933 2C 5s 1.955817 0.099922 2.155633 0.092588 -0.738544 -0.186253 2C 1pz -0.018353 0.057184 0.052759 -0.107606 0.165477 0.073174 2C 1px 0.064660 0.037924 -0.033240 -0.140871 0.029259 -0.085270 2C 1py 0.006838 0.039680 0.075527 -0.005136 -0.026606 -0.134345 2C 2pz -0.250756 -0.358149 -0.001230 0.567988 0.057956 1.021243 2C 2px 0.261820 -0.167990 -0.406090 -0.413235 -0.004994 -0.268586 2C 2py -0.651829 -0.060085 0.447840 1.532795 -1.182080 -0.750307 2C 3pz 0.503318 0.010977 0.473581 0.060044 -0.280348 -0.137702 2C 3px 0.072345 -0.000076 0.092551 0.140627 -0.077563 0.071049 2C 3py 0.361058 0.021022 0.276316 -0.029737 -0.042265 0.103988 2C 1dz2 0.008203 -0.030727 -0.039241 -0.016378 0.052150 0.097894 2C 1dxz 0.111127 -0.025119 -0.086598 -0.139352 0.032885 -0.004474 2C 1dyz -0.055035 -0.021491 0.004437 0.123497 -0.075538 0.015079 2C 1dx2y2 0.025662 -0.001910 0.039450 -0.047009 0.086308 0.104032 2C 1dxy 0.011805 0.001594 0.027850 0.043680 -0.070364 -0.105105 2C 2dz2 -0.072345 -0.021431 0.092765 0.316883 -0.551051 -0.644702 2C 2dxz -0.703846 0.004550 0.582868 1.140014 -0.282822 0.210157 2C 2dyz 0.131350 -0.044483 -0.157366 -0.150305 0.091934 0.153509 2C 2dx2y2 0.106339 -0.001419 0.078758 0.176068 -0.417355 -0.618588 2C 2dxy -0.042358 -0.153238 0.045055 0.023508 0.354271 0.704846 2C 1f0 0.008576 0.017105 0.011009 0.053651 -0.096300 -0.130936 2C 1f+1 0.033875 0.000583 -0.034985 -0.093181 0.078666 0.064752 2C 1f-1 -0.047645 -0.031316 -0.015405 0.058382 -0.003648 0.086097 2C 1f+2 0.028920 0.018261 0.045861 -0.033374 0.038619 0.030494 2C 1f-2 0.004237 -0.019303 0.010391 0.083724 -0.082661 -0.051018 2C 1f+3 -0.007297 0.019566 0.046148 0.026276 -0.062051 -0.124005 2C 1f-3 0.007940 0.013480 -0.033935 -0.062910 0.027210 -0.031237 3C 1s 0.000033 -0.000899 0.000370 -0.001711 0.002042 0.000656 3C 2s 0.001485 -0.000134 0.000996 -0.004733 0.005832 0.002256 3C 3s 0.111612 0.222090 -0.213834 0.136002 -0.308104 -0.008223 3C 4s -0.965215 -1.711522 0.757722 -0.615828 1.327733 -0.122677 3C 5s -2.782731 -0.480816 -1.847904 0.025671 0.618692 0.122122 3C 1pz 0.005033 -0.070640 -0.085414 -0.000093 -0.004321 0.010494 3C 1px 0.043291 0.075662 -0.046630 -0.001460 0.008520 0.085390 3C 1py -0.028963 -0.121862 0.071955 -0.062084 0.165367 0.036277 3C 2pz -0.739562 -1.831618 -0.172920 -0.301156 0.871155 0.112606 3C 2px -0.237461 -0.412114 0.217142 0.023496 0.354601 0.635211 3C 2py 0.484660 0.277755 -0.347364 0.269789 -0.176950 0.469842 3C 3pz -0.381557 0.038001 -0.243296 0.017876 0.083795 0.027219 3C 3px -0.255036 -0.098802 -0.112312 -0.003836 0.012530 -0.065603 3C 3py 0.698705 0.198912 0.403763 0.033171 -0.252498 -0.054019 3C 1dz2 -0.012338 -0.035927 0.020972 0.003284 0.022985 -0.009907 3C 1dxz 0.005258 -0.037031 0.034520 0.005383 0.063565 0.098362 3C 1dyz 0.052931 0.187041 -0.008820 0.029736 -0.080472 0.016623 3C 1dx2y2 -0.036105 -0.100378 -0.065407 0.000281 0.029300 0.057561 3C 1dxy -0.046193 -0.059001 -0.034726 -0.000570 -0.009677 -0.020095 3C 2dz2 0.043940 0.375102 0.097368 0.148433 -0.163734 0.084957 3C 2dxz -0.174619 0.035571 0.057943 -0.001698 -0.266228 -0.541859 3C 2dyz -0.123012 -0.704975 -0.245953 -0.039751 0.104839 -0.072642 3C 2dx2y2 0.305378 0.746089 0.106420 0.146748 -0.510061 -0.352115 3C 2dxy 0.330526 0.777918 0.117204 0.033987 -0.014544 0.246051 3C 1f0 0.015701 0.110210 0.029320 0.026481 -0.081275 -0.063415 3C 1f+1 0.003006 0.034917 0.023339 0.002620 0.003407 0.043623 3C 1f-1 0.006928 -0.051538 -0.031529 -0.000276 0.060193 0.049995 3C 1f+2 0.038220 0.076348 -0.060970 0.020444 -0.048472 0.036148 3C 1f-2 0.011342 0.029278 -0.042892 0.013247 -0.040606 -0.032594 3C 1f+3 0.010780 0.073931 0.027576 0.014408 -0.068188 -0.073826 3C 1f-3 -0.011832 -0.042336 -0.008513 -0.010670 0.004478 -0.029063 4C 1s -0.011146 -0.001376 -0.011464 0.003253 -0.000487 0.001192 4C 2s -0.035624 -0.001206 -0.029989 0.004710 0.004772 0.002727 4C 3s 0.622491 -0.113665 -0.023200 -0.000748 -0.388779 -0.049897 4C 4s -1.761639 0.457475 0.912665 -0.437134 1.699577 0.088522 4C 5s -0.363257 -0.082633 0.734904 -0.736228 0.804462 -0.004570 4C 1pz 0.240163 0.014234 0.038560 -0.143014 -0.034510 -0.072998 4C 1px 0.011753 -0.012629 0.015829 0.024563 -0.003256 0.019949 4C 1py 0.135254 0.005538 0.019260 -0.091175 0.017264 -0.011348 4C 2pz -1.232540 -0.245774 0.034596 1.185296 -0.061586 0.552284 4C 2px -0.353989 -0.063203 -0.045420 0.073827 -0.010059 0.014772 4C 2py -0.881729 -0.204149 0.088087 0.888479 -0.255902 0.152981 4C 3pz 1.739553 0.014130 2.226578 -0.053661 -0.512731 -0.056750 4C 3px 0.235773 0.087418 0.385431 -0.321359 0.009027 -0.125674 4C 3py 1.004232 0.018668 1.534784 -0.035143 -0.318227 -0.160618 4C 1dz2 -0.052441 -0.049994 -0.016162 0.087599 -0.056599 -0.019299 4C 1dxz -0.012691 -0.012893 -0.002016 0.046298 -0.045112 -0.003551 4C 1dyz -0.016399 -0.040637 -0.042980 0.078395 -0.068750 0.043309 4C 1dx2y2 -0.000626 -0.020491 -0.024425 -0.016935 -0.044762 -0.033326 4C 1dxy -0.008120 -0.010480 -0.033211 0.013762 0.004631 0.016457 4C 2dz2 0.472990 0.084588 -0.400812 -0.681171 -0.016883 -0.375560 4C 2dxz 0.078267 -0.109331 -0.255963 -0.087973 -0.078813 -0.011550 4C 2dyz 0.135613 0.153343 -0.209849 -0.587941 0.271313 -0.166057 4C 2dx2y2 -0.487218 -0.010779 0.704088 0.644521 0.082789 0.141587 4C 2dxy -0.397601 -0.006091 0.319798 0.302712 0.207999 0.284225 4C 1f0 0.030472 -0.028170 -0.033092 -0.063486 0.059842 0.119078 4C 1f+1 0.064890 -0.039764 -0.047154 -0.045404 -0.047960 -0.049445 4C 1f-1 0.072402 0.018740 -0.007327 -0.074535 -0.002407 -0.055198 4C 1f+2 0.029188 0.008664 0.022046 -0.023919 0.041882 -0.009028 4C 1f-2 0.057614 0.013058 -0.003491 -0.053001 0.016556 -0.000161 4C 1f+3 0.038954 -0.003226 -0.005323 -0.052661 0.024746 0.029081 4C 1f-3 0.003464 -0.002047 -0.038515 0.019583 -0.056114 -0.013484 5C 1s 0.005243 0.000141 0.013004 0.000890 0.000192 -0.001472 5C 2s 0.015835 0.004413 0.033872 0.004601 -0.006451 -0.004200 5C 3s -0.392235 -0.041496 -0.007653 -0.122818 0.428205 0.067850 5C 4s 1.776254 0.410309 -0.968555 0.381863 -1.839955 -0.071395 5C 5s 1.122674 0.512731 -0.961295 -0.197423 -0.785699 0.326248 5C 1pz -0.031193 0.098449 -0.039342 0.008998 -0.027600 0.024690 5C 1px 0.007105 0.005442 -0.041774 0.010023 0.012552 -0.015994 5C 1py 0.016009 -0.117655 0.088102 -0.004252 -0.027140 -0.044661 5C 2pz 0.045355 -0.863799 0.115818 -0.214068 0.329530 -0.137935 5C 2px -0.287829 -0.305693 0.305035 -0.078422 -0.107978 0.096744 5C 2py 0.059787 1.078686 -0.371492 0.227454 -0.172217 0.252479 5C 3pz -1.366177 -0.408024 -1.220746 -0.133367 0.227376 0.134392 5C 3px -0.798684 -0.014419 -0.815750 -0.107398 0.170510 0.131611 5C 3py 2.067574 0.366041 2.077276 0.138343 -0.442810 -0.270101 5C 1dz2 0.036325 0.028589 -0.059547 0.043042 -0.040130 -0.016046 5C 1dxz -0.001166 -0.016701 -0.005274 0.005993 -0.019197 -0.002653 5C 1dyz 0.044811 0.047079 -0.068476 0.006913 -0.048128 -0.005612 5C 1dx2y2 -0.002310 0.078458 -0.023302 0.026699 -0.044104 0.000019 5C 1dxy 0.000526 0.047507 -0.033352 0.025063 -0.054196 0.028210 5C 2dz2 0.057034 0.304392 0.281820 -0.010108 0.236372 0.075270 5C 2dxz 0.179806 0.421750 0.326136 0.131651 -0.120568 -0.013701 5C 2dyz -0.402025 -0.512221 0.101249 -0.118109 0.225432 -0.064608 5C 2dx2y2 -0.609743 -0.927743 -0.301323 -0.016879 -0.222349 -0.189241 5C 2dxy -0.140074 -0.240145 -0.165339 -0.135812 0.258127 -0.010846 5C 1f0 -0.011274 -0.071259 0.034848 -0.018485 0.043056 0.030023 5C 1f+1 -0.035030 -0.034033 0.038757 0.009380 0.033415 -0.005073 5C 1f-1 0.041722 0.078549 -0.012142 0.017878 -0.050280 -0.035568 5C 1f+2 0.043819 -0.022007 0.005558 -0.014112 0.001185 -0.009483 5C 1f-2 0.034065 -0.005935 -0.026318 -0.008772 -0.014660 -0.004250 5C 1f+3 0.005198 0.065281 0.015635 -0.022273 0.050747 0.079518 5C 1f-3 0.009540 -0.056847 -0.045216 0.029987 -0.021233 0.043738 6C 1s 0.005387 0.004449 0.012214 -0.001214 -0.000149 0.001434 6C 2s 0.016332 0.007838 0.033207 -0.005265 -0.007329 0.002559 6C 3s -0.398299 0.034491 -0.023103 0.108746 0.436442 0.029141 6C 4s 1.773171 -0.716702 -0.747199 -0.299509 -1.829126 -0.340566 6C 5s 1.100835 -0.819350 -0.703445 0.246464 -0.697010 -0.492290 6C 1pz 0.031993 0.105939 0.002719 0.007984 0.023628 0.028182 6C 1px -0.003185 0.018619 0.036864 0.009084 -0.010139 -0.017283 6C 1py -0.018270 -0.141031 -0.041165 -0.004844 0.034131 -0.038765 6C 2pz -0.040338 -0.846537 0.186415 -0.208984 -0.309811 -0.201072 6C 2px 0.253129 -0.393208 -0.170471 -0.074832 0.094600 0.110941 6C 2py -0.060291 1.140540 -0.026288 0.222844 0.132470 0.287861 6C 3pz 1.374411 0.043160 1.287479 -0.156906 -0.254361 0.065304 6C 3px 0.798040 0.273764 0.773062 -0.121859 -0.191205 0.090898 6C 3py -2.087878 -0.378087 -2.077610 0.165998 0.485489 -0.156022 6C 1dz2 0.036107 -0.047132 -0.046338 -0.040406 -0.043973 0.006779 6C 1dxz -0.001622 0.014153 -0.010406 -0.005820 -0.019505 -0.001201 6C 1dyz 0.044502 -0.068585 -0.046827 -0.003400 -0.047807 -0.005472 6C 1dx2y2 -0.003257 -0.081051 0.005589 -0.025965 -0.043552 -0.009711 6C 1dxy 0.000769 -0.056263 -0.014990 -0.023475 -0.049173 -0.039501 6C 2dz2 0.051593 -0.189231 0.370132 -0.006020 0.245612 -0.023162 6C 2dxz 0.178850 -0.278781 0.449511 -0.138824 -0.125861 -0.013079 6C 2dyz -0.396950 0.519222 -0.088120 0.109595 0.210599 0.115325 6C 2dx2y2 -0.596455 0.769753 -0.615302 0.034818 -0.254510 0.142607 6C 2dxy -0.151466 0.161184 -0.230958 0.132906 0.257585 0.064374 6C 1f0 0.010715 -0.079124 -0.007467 -0.017420 -0.048878 0.019161 6C 1f+1 0.035613 -0.044464 -0.024226 0.010497 -0.032082 -0.012619 6C 1f-1 -0.040550 0.076726 -0.016054 0.017736 0.058504 -0.023810 6C 1f+2 -0.043487 -0.021941 0.001632 -0.013679 0.001207 -0.009443 6C 1f-2 -0.033981 0.002979 0.026256 -0.010009 0.014873 -0.000906 6C 1f+3 -0.003447 0.055959 -0.038690 -0.019505 -0.064188 0.066050 6C 1f-3 -0.010671 -0.035945 0.062432 0.026709 0.013940 0.046197 7C 1s -0.011191 -0.002662 -0.011300 -0.003053 -0.000433 -0.001238 7C 2s -0.035601 -0.009161 -0.028685 -0.004459 0.004684 -0.001516 7C 3s 0.618487 0.094839 -0.058358 0.020527 -0.383130 -0.037002 7C 4s -1.743786 -0.097359 1.011729 0.334678 1.668829 0.287514 7C 5s -0.348678 0.335642 0.675262 0.690231 0.808762 0.179812 7C 1pz -0.240308 0.000624 -0.044011 -0.144300 0.044015 -0.064555 7C 1px -0.008892 -0.018452 -0.010515 0.026601 0.001399 0.018831 7C 1py -0.136319 -0.000835 -0.022907 -0.090854 -0.016914 -0.014202 7C 2pz 1.244475 -0.245988 0.074823 1.190687 -0.023636 0.561901 7C 2px 0.335585 -0.038300 0.073272 0.072407 0.003323 0.023787 7C 2py 0.887184 -0.224936 0.014325 0.886661 0.240757 0.200041 7C 3pz -1.740359 -0.762460 -2.089724 -0.021060 0.501359 0.067849 7C 3px -0.245254 -0.052211 -0.389832 -0.312372 -0.001712 -0.124187 7C 3py -1.026308 -0.516430 -1.446275 -0.019078 0.335517 -0.086835 7C 1dz2 -0.052115 0.041020 -0.033981 -0.084043 -0.060863 0.008874 7C 1dxz -0.012404 0.011553 -0.007245 -0.044227 -0.046573 -0.003895 7C 1dyz -0.019273 0.023260 -0.055759 -0.076779 -0.060550 -0.058495 7C 1dx2y2 0.002075 0.010887 -0.029933 0.020111 -0.050410 0.026255 7C 1dxy -0.008803 -0.002099 -0.034373 -0.013012 0.007351 -0.016663 7C 2dz2 0.482777 -0.219626 -0.336967 0.699137 -0.073271 0.370996 7C 2dxz 0.070980 0.013728 -0.273896 0.089137 -0.089336 -0.000328 7C 2dyz 0.146681 -0.216889 -0.130430 0.587001 0.244383 0.224214 7C 2dx2y2 -0.492992 0.259512 0.638384 -0.671474 0.090587 -0.119960 7C 2dxy -0.400971 0.118263 0.292281 -0.326328 0.243509 -0.235971 7C 1f0 -0.026317 -0.015126 0.039195 -0.059369 -0.082936 0.109306 7C 1f+1 -0.062392 -0.021340 0.056883 -0.047158 0.053991 -0.036823 7C 1f-1 -0.073866 0.020082 -0.000840 -0.075523 0.010653 -0.053803 7C 1f+2 -0.024548 -0.000004 -0.024238 -0.019781 -0.041037 -0.015132 7C 1f-2 -0.056790 0.013689 -0.002620 -0.053321 -0.018522 -0.002982 7C 1f+3 -0.039733 -0.000855 0.004598 -0.053625 -0.032738 0.024967 7C 1f-3 -0.004889 0.012008 0.037273 0.015019 0.057634 -0.002918 8C 1s -0.000039 0.000967 0.000069 0.001662 0.002201 -0.000139 8C 2s 0.001248 0.000413 0.001020 0.004617 0.006403 -0.000764 8C 3s 0.113907 -0.281342 -0.123481 -0.123341 -0.308549 -0.061183 8C 4s -0.963964 1.863864 0.109680 0.567703 1.298765 0.418560 8C 5s -2.795380 -0.182440 -1.911677 -0.016194 0.616108 0.022971 8C 1pz -0.006571 -0.036211 0.104349 -0.004101 0.000277 0.012060 8C 1px -0.041768 0.089735 0.015009 -0.002093 -0.022336 0.080733 8C 1py 0.030271 -0.138358 -0.025973 -0.056439 -0.170779 -0.000517 8C 2pz 0.731519 -1.643024 0.798875 -0.306143 -0.909921 -0.083478 8C 2px 0.227211 -0.449035 -0.066612 0.036894 -0.442637 0.528528 8C 2py -0.491392 0.393914 0.221837 0.245913 0.089867 0.496049 8C 3pz 0.383867 0.118378 0.216617 0.020793 -0.081267 0.012173 8C 3px 0.257039 -0.055496 0.140612 -0.004219 -0.003768 -0.070080 8C 3py -0.699130 0.044908 -0.451537 0.035831 0.257419 0.007801 8C 1dz2 -0.011443 0.040091 0.006841 -0.003708 0.022313 0.012724 8C 1dxz 0.005896 0.045736 0.019430 -0.006899 0.079430 -0.081264 8C 1dyz 0.051560 -0.177243 0.057237 -0.029937 -0.079074 -0.034309 8C 1dx2y2 -0.034719 0.068303 -0.095249 0.002506 0.040320 -0.048867 8C 1dxy -0.045865 0.044521 -0.054117 0.003054 -0.010889 0.017724 8C 2dz2 0.040653 -0.316474 0.219378 -0.149687 -0.155588 -0.111970 8C 2dxz -0.168282 -0.007231 0.059791 0.003870 -0.357599 0.467197 8C 2dyz -0.114441 0.570153 -0.476127 0.056981 0.105195 0.095024 8C 2dx2y2 0.293263 -0.643410 0.350014 -0.147447 -0.574182 0.226974 8C 2dxy 0.333787 -0.698514 0.390895 -0.045675 0.016051 -0.245193 8C 1f0 -0.016254 0.092314 -0.065199 0.026950 0.093294 -0.042831 8C 1f+1 -0.002943 0.024956 -0.033130 0.003628 -0.010043 0.041634 8C 1f-1 -0.005838 -0.037452 0.047476 -0.000169 -0.068490 0.035252 8C 1f+2 -0.037283 0.092393 0.030442 0.017601 0.040706 0.046035 8C 1f-2 -0.011645 0.043299 0.029601 0.011336 0.046440 -0.022490 8C 1f+3 -0.011465 0.059637 -0.050992 0.014878 0.081663 -0.055443 8C 1f-3 0.011351 -0.035571 0.022733 -0.011125 0.000457 -0.029058 9C 1s 0.002557 0.001754 -0.001159 -0.001038 -0.002499 -0.000812 9C 2s 0.008371 0.003809 -0.004082 0.000045 -0.006891 -0.001415 9C 3s -0.006188 -0.102085 0.199883 0.240019 0.267697 0.129834 9C 4s -0.560318 0.581088 -0.444549 -1.756811 -1.074769 -0.793139 9C 5s 1.950891 0.658900 2.053729 -0.122743 -0.755390 0.013078 9C 1pz 0.016290 0.034646 -0.072558 -0.098644 -0.177050 0.039865 9C 1px -0.066167 0.047454 0.015357 -0.143189 -0.021032 -0.086024 9C 1py -0.008677 0.011219 -0.081947 -0.007227 0.052612 -0.132806 9C 2pz 0.279176 -0.340515 0.124512 0.588729 -0.253071 1.033764 9C 2px -0.245522 -0.013837 0.428247 -0.425324 0.010755 -0.225748 9C 2py 0.625849 -0.205893 -0.344181 1.471826 1.342052 -0.543764 9C 3pz -0.506455 -0.153684 -0.444555 0.058985 0.299067 -0.077503 9C 3px -0.071675 -0.031741 -0.083286 0.138556 0.073569 0.084162 9C 3py -0.357479 -0.076533 -0.269835 -0.022146 0.019375 0.121132 9C 1dz2 0.002756 0.015102 -0.045366 0.011555 0.070698 -0.090273 9C 1dxz 0.107885 -0.006856 -0.085760 0.139792 0.038354 0.005925 9C 1dyz -0.053671 0.021880 -0.006766 -0.118604 -0.073592 -0.029285 9C 1dx2y2 0.023202 0.015977 0.037153 0.042732 0.107901 -0.089999 9C 1dxy 0.013801 0.007500 0.024641 -0.038958 -0.087761 0.089739 9C 2dz2 -0.047250 0.049444 0.053598 -0.274318 -0.666257 0.544792 9C 2dxz -0.699959 0.200114 0.518311 -1.144408 -0.289824 -0.232074 9C 2dyz 0.113363 -0.013339 -0.146551 0.133550 0.123604 -0.144446 9C 2dx2y2 0.103360 0.024284 0.067617 -0.160682 -0.548022 0.558286 9C 2dxy -0.065706 0.166595 0.001796 -0.061006 0.464871 -0.627309 9C 1f0 -0.006196 0.012633 -0.014364 0.051411 0.121618 -0.113145 9C 1f+1 -0.032598 0.012809 0.029251 -0.090023 -0.091094 0.049570 9C 1f-1 0.047563 -0.023781 0.026319 0.057101 -0.012609 0.087123 9C 1f+2 -0.029464 0.001606 -0.049581 -0.033716 -0.045573 0.021362 9C 1f-2 -0.003111 -0.021315 -0.001258 0.079715 0.091650 -0.034851 9C 1f+3 0.006004 0.001744 -0.048355 0.026050 0.087323 -0.113420 9C 1f-3 -0.007613 0.024853 0.023548 -0.062644 -0.021993 -0.037736 10H 1s -0.056841 0.010203 0.037465 0.076566 -0.017138 -0.020910 10H 2s -0.585611 0.080965 0.642223 0.665839 0.264490 0.808098 10H 3s 0.056025 -0.008565 -0.172731 -0.127969 -0.036488 -0.182535 10H 1pz 0.010250 0.043387 0.062873 -0.011789 -0.065570 -0.104491 10H 1px 0.279534 -0.000807 -0.293447 -0.401562 -0.112411 -0.402615 10H 1py 0.096762 0.060804 -0.112974 -0.272122 0.193057 0.139007 11H 1s 0.052313 -0.034701 -0.021537 0.065062 -0.119414 -0.083532 11H 2s 0.632778 -0.033867 -0.570290 -1.668344 1.289161 0.874241 11H 3s -0.142795 -0.014424 -0.021145 0.345095 -0.327974 -0.237206 11H 1pz 0.105716 -0.031241 -0.074865 -0.277179 0.142261 0.009912 11H 1px 0.191214 -0.010144 -0.076582 -0.373254 0.405346 0.382210 11H 1py -0.140570 -0.011309 0.249226 0.461170 -0.301790 -0.170021 12H 1s -0.029772 -0.030656 -0.042604 0.010550 0.066264 0.139515 12H 2s -0.086322 0.266969 0.363385 0.461219 -1.041467 -1.789479 12H 3s -0.059215 -0.051040 -0.203806 -0.109039 0.317887 0.475109 12H 1pz 0.027050 0.016786 -0.010786 -0.111497 0.292016 0.421445 12H 1px -0.013094 0.018601 0.219258 0.268274 -0.251723 -0.295153 12H 1py -0.019460 0.097850 0.065592 0.064339 -0.251885 -0.510695 13H 1s -0.052091 -0.075856 -0.007522 -0.013938 0.015789 0.001778 13H 2s -0.308891 -0.776439 -0.422441 -0.100380 -0.108395 -0.650536 13H 3s 0.135267 0.145743 0.101846 -0.003474 0.040867 0.133949 13H 1pz -0.066806 0.010537 -0.056707 0.033727 -0.142023 -0.202560 13H 1px 0.131155 0.503018 0.176443 0.078449 -0.020143 0.232441 13H 1py 0.005928 -0.035910 0.051523 0.023387 -0.097243 -0.079795 14H 1s -0.038125 -0.007711 0.058542 0.011152 -0.056897 -0.068947 14H 2s -0.082384 -0.747063 -0.376257 -0.004136 0.601782 1.053710 14H 3s 0.118201 0.168487 0.175678 0.000823 -0.203727 -0.235159 14H 1pz -0.039184 0.079983 0.036716 0.079878 -0.010166 0.182682 14H 1px -0.035979 -0.381111 -0.196029 -0.036571 0.229764 0.312076 14H 1py -0.002725 -0.094475 0.025559 -0.069822 0.190671 0.205947 15H 1s 0.031714 -0.041783 0.027734 -0.028633 0.105456 0.042176 15H 2s 0.452033 1.896908 0.220089 0.252268 -1.026804 -0.362662 15H 3s 0.080383 -0.376283 0.059314 -0.081912 0.254523 0.094328 15H 1pz -0.124401 -0.633242 -0.133013 -0.119529 0.351230 0.119327 15H 1px 0.050597 0.028507 -0.086335 0.003224 -0.127241 -0.147733 15H 1py -0.100082 -0.409388 -0.019526 -0.024418 0.196585 0.031707 16H 1s -0.215042 0.019097 0.073144 -0.059762 0.054534 -0.005577 16H 2s 0.623057 -0.135315 -0.324797 0.195579 -0.062725 0.113206 16H 3s -0.193296 0.066034 0.105062 -0.097835 0.104411 0.018552 16H 1pz 0.206259 -0.050193 -0.143221 0.035418 0.012452 0.063350 16H 1px 0.132318 -0.015310 -0.005230 0.047149 0.010823 0.052217 16H 1py -0.146448 -0.027266 -0.021495 -0.044154 0.010327 -0.032934 17H 1s -0.053474 0.001056 -0.031886 -0.059536 -0.027744 -0.086277 17H 2s 0.215157 -0.019426 0.198582 0.102043 0.062491 -0.055540 17H 3s 0.056233 -0.004807 -0.102723 -0.076670 -0.071866 -0.118086 17H 1pz -0.210524 0.021343 -0.006031 -0.034485 0.007440 0.039728 17H 1px 0.075321 0.002566 -0.100513 0.031044 -0.021665 0.099668 17H 1py -0.171685 -0.018940 0.120519 -0.057323 0.026817 -0.134656 18H 1s -0.062553 -0.011579 -0.022488 0.061798 -0.038072 0.080444 18H 2s 0.247635 0.080832 0.153857 -0.108265 0.049480 0.070749 18H 3s 0.053083 -0.033209 -0.094370 0.083241 -0.085706 0.102865 18H 1pz 0.224046 0.017087 -0.012248 -0.031143 -0.015166 0.043316 18H 1px -0.075796 0.037428 0.092227 0.026958 0.008049 0.104635 18H 1py 0.185833 -0.061161 -0.111419 -0.054319 -0.009082 -0.138279 19H 1s -0.225225 0.009037 0.082545 0.055432 0.055018 0.015627 19H 2s 0.649837 -0.001259 -0.373348 -0.175609 -0.055985 -0.134068 19H 3s -0.196774 -0.025693 0.125306 0.091204 0.106693 0.001652 19H 1pz -0.219710 0.011639 0.159102 0.027414 -0.016778 0.067908 19H 1px -0.142510 -0.008721 0.016350 0.046125 -0.016385 0.048897 19H 1py 0.155127 -0.018180 0.023377 -0.044611 -0.006730 -0.029146 20H 1s 0.029729 0.049657 0.011605 0.025623 0.112552 -0.018370 20H 2s 0.441811 -1.684404 0.863717 -0.261149 -1.107361 0.122752 20H 3s 0.083014 0.367463 -0.074587 0.084415 0.278172 -0.030660 20H 1pz 0.119543 -0.541500 0.343384 -0.123916 -0.377658 0.037853 20H 1px -0.043516 0.059169 0.068705 0.000253 0.154398 -0.115041 20H 1py 0.099918 -0.372089 0.160777 -0.025909 -0.204465 -0.013954 21H 1s -0.034639 0.027738 0.051936 -0.012090 -0.068917 0.053984 21H 2s -0.080201 0.549283 -0.601530 0.016291 0.784850 -0.881453 21H 3s 0.120260 -0.094671 0.222488 -0.003378 -0.241003 0.181808 21H 1pz 0.036214 0.061800 -0.059752 0.079603 -0.021083 0.179095 21H 1px 0.036074 -0.282002 0.312284 -0.043127 -0.284270 0.248216 21H 1py -0.002520 -0.094248 0.006559 -0.066617 -0.226948 0.158786 22H 1s -0.052711 0.068409 -0.034207 0.013784 0.014623 0.002824 22H 2s -0.301398 0.582331 -0.671213 0.127351 -0.191471 0.603292 22H 3s 0.134896 -0.103026 0.146727 -0.001202 0.057688 -0.121260 22H 1pz 0.066531 0.029964 0.050142 0.028648 0.171409 -0.163411 22H 1px -0.129436 0.411200 -0.342068 0.088342 -0.012218 0.230861 22H 1py -0.001498 -0.053488 -0.035149 0.024052 0.112968 -0.056212 23H 1s -0.026167 0.013322 -0.050629 -0.010735 0.090975 -0.127537 23H 2s -0.057002 -0.132010 0.399888 -0.402300 -1.375280 1.607899 23H 3s -0.061848 -0.023456 -0.202516 0.100970 0.404657 -0.417979 23H 1pz -0.016905 0.019127 -0.005128 -0.095531 -0.371320 0.369424 23H 1px 0.013756 -0.059696 -0.201837 0.257594 0.306546 -0.247010 23H 1py 0.009121 0.071403 -0.090195 0.051421 0.348617 -0.468131 24H 1s 0.048227 0.024650 -0.033810 -0.061863 -0.136124 0.062037 24H 2s 0.603658 -0.160746 -0.487202 1.610078 1.494833 -0.668918 24H 3s -0.133981 0.004275 -0.037772 -0.325490 -0.382478 0.185682 24H 1pz -0.103137 -0.004833 0.074359 -0.268212 -0.147669 -0.013271 24H 1px -0.178077 0.016614 0.060070 -0.358963 -0.489744 0.315175 24H 1py 0.136024 -0.097851 -0.213964 0.446039 0.341575 -0.121324 25H 1s -0.060642 0.003885 0.037835 -0.077902 -0.019897 0.015445 25H 2s -0.566064 0.152854 0.609791 -0.689794 0.370224 -0.721093 25H 3s 0.052344 -0.053375 -0.160590 0.133123 -0.058004 0.168704 25H 1pz -0.021476 0.017899 -0.069995 -0.015062 0.086882 -0.095314 25H 1px -0.280595 0.102722 0.266333 -0.412874 0.169715 -0.369199 25H 1py -0.103607 0.098578 0.079610 -0.271988 -0.223150 0.101921 26O 1s -0.004825 0.002978 0.000007 -0.000314 0.001447 0.001138 26O 2s -0.011488 0.009474 -0.000441 -0.000403 0.003024 0.003206 26O 3s -0.031192 -0.048071 0.029148 0.036205 0.019559 0.007754 26O 4s 0.601170 0.054473 -0.064311 -0.431193 -0.126732 -0.248247 26O 5s 0.387177 -0.084965 -2.323770 -0.367256 -0.640109 -0.086560 26O 1pz -0.036297 0.046636 0.083179 -0.020722 0.101978 0.102619 26O 1px 0.016368 -0.018763 -0.013095 -0.065256 0.056564 0.065103 26O 1py -0.012474 -0.004277 0.038111 0.043610 -0.076969 -0.143210 26O 2pz -0.001455 -0.056806 -0.043135 0.146817 -0.149985 -0.090894 26O 2px -0.382779 0.040972 0.245872 0.367517 0.050537 0.061949 26O 2py -0.146328 0.009563 0.081617 0.129128 0.143541 0.231034 26O 3pz -0.124083 -0.032671 -0.338469 -0.184062 0.129060 0.148060 26O 3px -0.323046 -0.160202 0.335761 -0.104457 0.221436 0.113467 26O 3py -0.100791 0.017341 -0.099949 -0.115702 -0.087508 -0.039415 26O 1dz2 0.000372 0.001334 -0.000062 -0.008156 0.002198 -0.004236 26O 1dxz -0.004656 -0.000435 -0.002049 -0.004121 0.003440 0.000126 26O 1dyz 0.000417 0.001215 -0.004847 -0.014151 -0.000142 -0.003524 26O 1dx2y2 -0.000111 -0.000812 -0.000897 0.004953 -0.001766 0.001352 26O 1dxy -0.003719 0.000335 -0.004619 -0.001653 -0.001050 -0.001115 26O 2dz2 -0.051713 -0.037090 -0.069867 0.005764 -0.014300 0.009238 26O 2dxz 0.030692 -0.047554 -0.228974 -0.069239 -0.069774 -0.085455 26O 2dyz 0.055337 -0.048438 -0.265778 -0.040440 -0.123159 0.007313 26O 2dx2y2 0.038066 0.016981 0.078853 0.061790 -0.051640 -0.082626 26O 2dxy 0.030749 0.000061 -0.194602 -0.035830 -0.025067 0.049689 26O 1f0 0.005496 0.002892 0.001400 -0.003841 0.000768 -0.002361 26O 1f+1 0.004750 -0.001660 -0.003384 0.006399 -0.010304 0.001666 26O 1f-1 0.011740 -0.000170 0.003573 0.003462 -0.003984 -0.001961 26O 1f+2 -0.004953 0.001338 -0.002551 -0.002210 0.000046 0.002366 26O 1f-2 -0.005133 -0.002543 0.001186 0.011987 -0.003556 0.003461 26O 1f+3 0.005680 0.000507 -0.001875 0.001755 0.000134 -0.001497 26O 1f-3 0.016089 -0.004630 -0.004737 -0.007277 -0.008339 -0.002606 27O 1s -0.005115 0.000685 0.001311 0.001894 0.000127 -0.001679 27O 2s -0.015618 0.001813 0.004079 0.005504 0.002622 -0.005785 27O 3s 0.074205 -0.043824 -0.025682 -0.015844 -0.067484 0.023105 27O 4s 0.043708 0.387560 -0.128370 -0.076723 0.282566 0.100759 27O 5s 0.772226 0.728341 1.935957 0.188315 0.703643 -0.164486 27O 1pz -0.070142 -0.059515 -0.028857 -0.044775 0.050454 0.058661 27O 1px 0.014154 0.036534 -0.003149 -0.011308 -0.022130 0.023515 27O 1py 0.057784 -0.015248 0.078705 -0.018852 0.089545 0.067803 27O 2pz 0.054926 0.029389 0.027267 0.028500 -0.037512 -0.056654 27O 2px -0.125719 -0.361900 -0.089918 0.044614 -0.196609 -0.104714 27O 2py -0.009244 0.180602 -0.062118 0.030178 -0.089705 -0.046357 27O 3pz 0.155252 0.109790 0.189686 0.081165 0.163071 0.027990 27O 3px 0.151522 0.121173 -0.198723 -0.046212 -0.286984 0.149426 27O 3py -0.096010 -0.217852 -0.256493 0.078856 0.049440 0.089832 27O 1dz2 0.002513 -0.001643 -0.004026 0.001589 0.000283 -0.002675 27O 1dxz 0.000219 0.004624 0.000862 0.001701 -0.000232 0.001804 27O 1dyz 0.002546 -0.010817 -0.001278 -0.000923 -0.001710 -0.002199 27O 1dx2y2 -0.002283 -0.007530 0.003884 -0.000977 0.000643 -0.003063 27O 1dxy 0.000838 -0.007883 -0.003145 -0.000381 0.000309 -0.000993 27O 2dz2 0.061876 -0.002280 -0.120364 0.014534 -0.055232 -0.001761 27O 2dxz 0.120304 0.107529 0.161493 0.058483 -0.031181 -0.023212 27O 2dyz 0.002683 -0.041290 -0.163631 0.000797 -0.077081 0.023551 27O 2dx2y2 -0.077664 -0.042218 -0.068493 0.015255 0.009891 -0.031270 27O 2dxy -0.147842 -0.139237 -0.258018 -0.013444 -0.104265 -0.044627 27O 1f0 -0.000615 0.003878 0.004287 -0.001103 -0.000588 -0.003326 27O 1f+1 0.001260 0.007919 0.000140 -0.005135 0.007990 0.002023 27O 1f-1 -0.000509 -0.004597 0.001519 0.001548 -0.000699 -0.003085 27O 1f+2 -0.003910 0.002045 0.005460 -0.001017 0.001088 -0.000338 27O 1f-2 0.000074 0.009376 0.000280 0.003102 -0.001461 -0.001398 27O 1f+3 -0.002314 -0.007168 0.002933 -0.002566 0.012397 -0.002130 27O 1f-3 0.005509 -0.004030 0.002195 -0.002951 -0.002073 -0.005420 28O 1s 0.000138 0.002858 0.000141 -0.002058 -0.000100 -0.001138 28O 2s -0.000003 0.008356 -0.000291 -0.004378 -0.001275 -0.002626 28O 3s -0.012951 -0.027504 0.022356 0.013334 0.032529 0.000055 28O 4s 0.070780 -0.062927 0.049497 0.016179 -0.078761 0.132148 28O 5s 0.724484 -0.095872 -2.331439 -0.987245 -0.566433 -0.704891 28O 1pz 0.035278 0.000584 0.099943 -0.014659 0.000258 -0.057514 28O 1px -0.041377 0.007129 0.074683 0.091154 -0.004431 0.010517 28O 1py -0.028524 -0.002292 0.047710 0.011465 0.123150 0.122536 28O 2pz -0.292394 0.028939 0.059332 0.258106 0.101958 0.150831 28O 2px 0.183467 -0.064284 -0.208555 -0.176430 -0.087603 -0.023512 28O 2py -0.066142 -0.005444 0.015273 0.106379 -0.140407 -0.091079 28O 3pz 0.320957 -0.177904 -0.069380 -0.296224 -0.117564 -0.300997 28O 3px 0.015118 -0.039357 -0.303184 0.144229 -0.195327 -0.066343 28O 3py 0.203933 0.015604 -0.238575 -0.185113 0.107655 0.029414 28O 1dz2 0.006770 -0.000239 -0.001348 -0.010817 -0.001677 -0.003054 28O 1dxz 0.005785 0.001081 0.002443 -0.004570 -0.000803 -0.000917 28O 1dyz 0.009435 0.002340 -0.001024 -0.011518 -0.000807 -0.004850 28O 1dx2y2 -0.006224 -0.002973 -0.001618 0.005377 -0.000995 0.003710 28O 1dxy 0.002384 -0.000936 0.000482 -0.000946 -0.000900 -0.001283 28O 2dz2 0.111959 -0.028482 -0.299342 -0.216286 -0.055561 -0.052955 28O 2dxz 0.034681 -0.002064 0.087354 -0.026867 0.001316 -0.032399 28O 2dyz 0.174689 -0.023804 -0.280887 -0.159001 -0.142370 -0.160822 28O 2dx2y2 -0.099141 -0.024752 0.119667 0.163472 -0.021467 0.056863 28O 2dxy 0.015464 -0.022585 0.089960 0.054384 0.031737 0.069524 28O 1f0 -0.001438 -0.000600 -0.003560 0.005468 -0.002275 -0.001664 28O 1f+1 0.009683 0.001616 -0.001611 -0.007823 -0.002200 0.000476 28O 1f-1 -0.010123 0.000117 0.008215 0.015960 0.003050 0.008764 28O 1f+2 -0.006216 0.003499 0.001119 -0.001907 0.006823 -0.001667 28O 1f-2 0.004028 0.001737 0.002080 -0.004998 0.003528 -0.003008 28O 1f+3 -0.008290 0.004097 0.003781 0.003468 0.006543 0.002637 28O 1f-3 -0.001614 -0.003118 -0.000910 0.001884 -0.001969 -0.000862 29O 1s -0.012346 -0.000927 0.002347 -0.005369 0.002173 -0.005981 29O 2s -0.040843 -0.002341 0.007734 -0.017439 0.006846 -0.018763 29O 3s 0.265169 -0.003920 -0.048443 0.101754 -0.033773 0.090629 29O 4s -0.362462 0.042626 0.062396 -0.104871 0.025911 -0.061105 29O 5s -0.235247 0.061904 0.038235 -0.064436 -0.033888 0.096993 29O 1pz -0.137880 0.032406 0.074211 -0.029054 0.096011 0.093348 29O 1px 0.037739 -0.038375 0.025242 0.063043 0.033979 0.098193 29O 1py 0.004573 -0.037916 -0.005004 -0.015022 0.003527 -0.047969 29O 2pz 0.325596 -0.077677 -0.295493 0.064409 -0.149738 -0.028217 29O 2px -0.090241 0.077639 -0.095944 -0.091298 -0.064577 -0.070381 29O 2py 0.057333 0.011829 0.015128 0.016761 0.011583 0.014444 29O 3pz -0.037498 -0.023566 0.022142 0.069680 0.121578 0.158982 29O 3px -0.000894 -0.089168 0.037253 0.110644 0.042499 0.085260 29O 3py 0.326440 0.031618 -0.072809 0.127509 -0.030802 0.048835 29O 1dz2 0.002564 -0.002336 -0.004048 0.000505 0.000096 0.001700 29O 1dxz 0.000621 0.000076 0.002273 -0.002461 0.000049 -0.003534 29O 1dyz 0.003733 -0.000181 -0.008064 0.001232 -0.002483 0.002328 29O 1dx2y2 -0.003229 0.001543 0.000025 -0.000951 -0.000813 0.000188 29O 1dxy 0.000564 -0.000588 -0.003592 -0.000826 -0.001288 0.001582 29O 2dz2 0.274085 -0.009168 -0.042078 0.083826 -0.033810 0.049761 29O 2dxz 0.165352 -0.011840 -0.057384 0.049558 -0.000561 0.107354 29O 2dyz -0.090173 0.022382 0.038955 -0.032027 -0.036485 -0.095503 29O 2dx2y2 0.028678 0.043985 -0.033001 -0.013055 -0.009131 0.030411 29O 2dxy 0.124670 -0.028861 -0.021503 -0.010384 -0.007239 -0.037255 29O 1f0 0.011713 -0.001697 -0.001469 0.002600 0.000518 -0.000452 29O 1f+1 -0.003439 -0.000718 -0.000916 0.000247 0.000033 0.001770 29O 1f-1 0.019575 -0.003965 -0.008135 0.004432 -0.001069 0.002159 29O 1f+2 -0.001883 0.001490 0.003768 -0.000617 0.000650 -0.000325 29O 1f-2 0.002857 -0.001566 0.006258 0.003951 0.001402 -0.002070 29O 1f+3 0.009011 -0.000830 -0.003985 0.003725 -0.000877 0.003786 29O 1f-3 0.003650 0.000885 -0.003583 0.000286 -0.000273 0.002222 30O 1s -0.003077 0.002065 -0.000732 0.002951 -0.001093 -0.000472 30O 2s -0.011426 0.005205 -0.000623 0.009670 -0.003262 -0.002089 30O 3s 0.095975 -0.032268 -0.030525 -0.055569 0.010168 0.013549 30O 4s -0.228036 0.065882 0.037986 0.073603 -0.095714 -0.036753 30O 5s 0.400784 1.248194 1.957549 0.173351 0.659649 0.327254 30O 1pz -0.056802 0.001324 -0.001114 0.031493 -0.102983 -0.044326 30O 1px -0.085770 -0.086355 -0.034832 0.033747 -0.067704 -0.051925 30O 1py 0.007094 -0.004164 0.101535 0.014702 0.013064 -0.048419 30O 2pz 0.054453 -0.190106 -0.096894 -0.040668 0.095724 -0.013283 30O 2px 0.021484 0.165629 0.153786 -0.034752 0.113319 0.083087 30O 2py 0.039734 0.251431 -0.030189 -0.011672 0.024453 0.105621 30O 3pz 0.220702 0.258983 -0.030940 0.079716 -0.081345 0.166749 30O 3px -0.229690 0.039471 0.427357 0.139023 -0.028534 0.011176 30O 3py -0.353100 -0.273590 -0.004139 0.119290 -0.134167 -0.214575 30O 1dz2 0.000507 -0.001894 -0.000117 0.001317 -0.002684 0.001567 30O 1dxz 0.003607 0.004491 -0.004453 -0.000559 -0.001512 0.002750 30O 1dyz -0.002443 -0.009128 0.001257 -0.001448 -0.000573 -0.004661 30O 1dx2y2 -0.007018 -0.009592 0.004009 0.000233 0.000807 -0.000086 30O 1dxy -0.000153 -0.005498 0.003974 -0.000875 -0.000325 -0.000611 30O 2dz2 0.066545 0.041773 0.002357 0.006351 0.015831 0.047966 30O 2dxz 0.124143 0.083025 -0.040349 -0.005415 -0.018809 0.021522 30O 2dyz -0.092542 -0.196581 -0.244843 0.002115 -0.159090 -0.077580 30O 2dx2y2 -0.242758 -0.268958 -0.190872 0.023596 -0.091647 -0.025184 30O 2dxy -0.050262 -0.013587 0.040338 0.023967 -0.070999 -0.064991 30O 1f0 0.000191 0.013528 0.004328 -0.000911 0.006930 0.004021 30O 1f+1 -0.001397 -0.000424 0.001931 -0.003818 0.003951 0.002023 30O 1f-1 -0.002109 0.005861 0.000635 -0.000006 -0.002523 0.006899 30O 1f+2 0.002173 0.010659 -0.000483 0.002425 -0.002781 0.002315 30O 1f-2 0.008791 -0.003537 -0.000413 0.001302 -0.001429 -0.001170 30O 1f+3 -0.002535 -0.000293 -0.004056 0.000597 -0.000294 -0.004361 30O 1f-3 0.008464 0.005395 -0.006456 -0.000404 -0.006411 -0.002248 31O 1s -0.002928 -0.002197 -0.000098 -0.002950 -0.001291 0.000229 31O 2s -0.010902 -0.005069 0.000772 -0.009737 -0.004043 0.001360 31O 3s 0.092369 0.018595 -0.036538 0.057594 0.015528 -0.011569 31O 4s -0.221673 -0.041807 0.051271 -0.076216 -0.105909 0.018906 31O 5s 0.429986 -0.495417 2.255535 -0.244730 0.690798 -0.185038 31O 1pz 0.056885 0.002557 0.001318 0.028487 0.111822 -0.022614 31O 1px 0.083786 -0.069918 0.064456 0.030928 0.077827 -0.036294 31O 1py -0.007484 -0.038224 -0.093395 0.016706 -0.002958 -0.051520 31O 2pz -0.053870 -0.144960 0.155563 -0.042613 -0.095806 -0.030936 31O 2px -0.021546 0.101188 -0.201531 -0.026440 -0.126960 0.055259 31O 2py -0.038767 0.244586 -0.059722 -0.008802 -0.043291 0.098976 31O 3pz -0.196460 0.253798 -0.069199 0.083929 0.052767 0.183133 31O 3px 0.208252 -0.114526 -0.400781 0.150844 0.036821 0.015549 31O 3py 0.331619 -0.255563 0.112095 0.112336 0.172405 -0.184461 31O 1dz2 0.000550 0.001717 -0.000815 -0.001198 -0.002363 -0.001985 31O 1dxz 0.003526 -0.005772 -0.002515 0.000666 -0.000938 -0.002960 31O 1dyz -0.002206 0.009060 -0.002037 0.001479 -0.001415 0.004426 31O 1dx2y2 -0.006888 0.010502 0.000293 -0.000360 0.000785 0.000234 31O 1dxy -0.000050 0.006598 0.001758 0.000779 -0.000388 0.000490 31O 2dz2 0.068009 -0.038578 0.016311 -0.006599 0.025126 -0.043198 31O 2dxz 0.118210 -0.092853 -0.005845 0.005733 -0.014000 -0.025752 31O 2dyz -0.088713 0.099988 -0.299023 0.009813 -0.170798 0.042854 31O 2dx2y2 -0.237478 0.188346 -0.276597 -0.016440 -0.096704 0.006703 31O 2dxy -0.045550 0.028498 0.031024 -0.023134 -0.082105 0.048447 31O 1f0 -0.000067 0.011189 -0.008851 -0.000400 -0.007384 0.002453 31O 1f+1 0.001524 -0.001073 -0.001770 -0.003554 -0.004396 0.001220 31O 1f-1 0.002128 0.005297 -0.002701 0.000013 0.001152 0.007214 31O 1f+2 -0.001960 0.010204 -0.003330 0.002392 0.002343 0.002907 31O 1f-2 -0.008760 -0.003107 0.001561 0.001150 0.001695 -0.000761 31O 1f+3 0.002624 0.001057 0.003939 0.000479 0.001007 -0.004149 31O 1f-3 -0.008341 0.007265 0.004023 -0.000709 0.006674 -0.000707 32O 1s -0.012976 0.001614 0.002425 0.005373 0.001433 0.006249 32O 2s -0.043005 0.004738 0.008332 0.017415 0.004590 0.019642 32O 3s 0.280650 -0.014550 -0.060719 -0.100555 -0.024508 -0.095912 32O 4s -0.390056 -0.011534 0.098082 0.101689 0.024420 0.068363 32O 5s -0.236750 -0.033238 0.061130 0.054080 -0.016954 -0.100477 32O 1pz 0.140919 0.006024 -0.082985 -0.023974 -0.108186 0.079161 32O 1px -0.041351 -0.045516 -0.007433 0.064940 -0.044759 0.090259 32O 1py -0.001716 -0.031740 0.018191 -0.016907 0.002752 -0.045093 32O 2pz -0.327081 0.033521 0.306351 0.047442 0.154947 0.002214 32O 2px 0.101253 0.104887 0.053373 -0.095244 0.069119 -0.055919 32O 2py -0.070315 0.008464 -0.008517 0.018221 -0.010734 0.012499 32O 3pz 0.042826 -0.025485 -0.010475 0.071057 -0.139416 0.139198 32O 3px 0.013190 -0.099709 -0.009226 0.111549 -0.051435 0.075866 32O 3py -0.344332 0.062990 0.074305 0.121537 0.025227 0.058179 32O 1dz2 0.002395 0.000679 -0.004457 -0.000240 0.000294 -0.001697 32O 1dxz 0.000593 0.000717 0.002266 0.002414 -0.000410 0.003654 32O 1dyz 0.003690 -0.002707 -0.007665 -0.000807 -0.002185 -0.002984 32O 1dx2y2 -0.003206 -0.001374 0.000608 0.000938 -0.000725 -0.000190 32O 1dxy 0.000515 -0.000644 -0.003435 0.001014 -0.001046 -0.001785 32O 2dz2 0.297826 -0.009587 -0.058882 -0.083044 -0.026905 -0.057401 32O 2dxz 0.171451 -0.012305 -0.063771 -0.046496 0.013748 -0.108416 32O 2dyz -0.081967 -0.005649 0.045967 0.026918 -0.048313 0.086929 32O 2dx2y2 0.034821 -0.054369 -0.021145 0.012834 -0.003827 -0.034503 32O 2dxy 0.140099 0.014772 -0.038859 0.011168 -0.012996 0.032755 32O 1f0 -0.011444 -0.000729 0.002099 0.002180 -0.000302 -0.000521 32O 1f+1 0.004291 -0.000277 0.000918 0.000071 -0.000285 0.001862 32O 1f-1 -0.021045 -0.000400 0.009789 0.003958 0.001075 0.002663 32O 1f+2 0.002666 0.000063 -0.004361 -0.000646 -0.000686 -0.000630 32O 1f-2 -0.003115 -0.003496 -0.004826 0.004027 -0.001038 -0.002568 32O 1f+3 -0.009241 0.000529 0.003824 0.003636 0.000324 0.003803 32O 1f-3 -0.003863 0.002147 0.003089 0.000211 -0.000004 0.002382 33O 1s 0.000154 -0.002613 0.001221 0.002016 -0.000305 0.001100 33O 2s 0.000012 -0.007891 0.002893 0.004250 -0.001812 0.002314 33O 3s -0.012791 0.033620 0.010083 -0.013316 0.033367 0.006983 33O 4s 0.068610 0.075217 0.025772 -0.022149 -0.061845 -0.147311 33O 5s 0.734379 -0.732343 -2.194610 1.082973 -0.652045 0.575484 33O 1pz -0.034510 -0.035437 -0.094113 -0.009980 0.012104 -0.057775 33O 1px 0.044723 -0.020415 -0.071447 0.095910 0.007014 0.010107 33O 1py 0.030203 -0.017446 -0.046119 0.015291 -0.144350 0.096275 33O 2pz 0.292573 0.006302 -0.059426 0.261409 -0.124759 0.128114 33O 2px -0.186528 0.014778 0.214339 -0.187910 0.084281 -0.002647 33O 2py 0.065589 -0.012548 -0.007215 0.105315 0.158342 -0.062478 33O 3pz -0.309453 -0.145904 0.113477 -0.303005 0.159585 -0.275474 33O 3px -0.015927 0.071346 0.301688 0.131806 0.210549 -0.025686 33O 3py -0.195136 0.099339 0.207410 -0.187704 -0.120289 0.012669 33O 1dz2 0.006921 -0.000145 -0.001139 0.010927 -0.001917 0.002662 33O 1dxz 0.005780 -0.000187 0.002772 0.004588 -0.000821 0.000708 33O 1dyz 0.009504 -0.002564 0.000147 0.011747 -0.001405 0.004669 33O 1dx2y2 -0.006183 0.002269 -0.002728 -0.005393 -0.000421 -0.003834 33O 1dxy 0.002394 0.001054 0.000132 0.000928 -0.001111 0.001014 33O 2dz2 0.117529 -0.078237 -0.285391 0.229222 -0.056864 0.040091 33O 2dxz 0.035282 0.032741 0.082195 0.025969 -0.002651 0.032688 33O 2dyz 0.176416 -0.076171 -0.268819 0.174456 -0.164042 0.129800 33O 2dx2y2 -0.100740 0.065784 0.100734 -0.168002 -0.014764 -0.060067 33O 2dxy 0.012399 0.052363 0.076306 -0.058384 0.044312 -0.064489 33O 1f0 0.001282 0.000760 0.003626 0.005117 0.002619 -0.001056 33O 1f+1 -0.009777 0.002102 0.000824 -0.007971 0.001875 0.000928 33O 1f-1 0.010443 -0.002788 -0.007400 0.016430 -0.004155 0.007922 33O 1f+2 0.006339 0.002778 -0.002287 -0.001564 -0.006347 -0.003106 33O 1f-2 -0.004199 0.000913 -0.002668 -0.004933 -0.002882 -0.003729 33O 1f+3 0.008118 0.002522 -0.004983 0.003740 -0.006796 0.001125 33O 1f-3 0.001581 -0.002629 0.002024 0.001788 0.002152 -0.000414 34O 1s -0.004889 -0.000121 0.001370 -0.001958 -0.000271 0.001610 34O 2s -0.014982 -0.000093 0.004161 -0.005787 0.001243 0.006008 34O 3s 0.073461 0.031519 -0.038646 0.019615 -0.061001 -0.035467 34O 4s 0.023360 -0.410207 0.022826 0.066961 0.298411 -0.042406 34O 5s 0.779700 -0.012227 2.061322 -0.257753 0.662392 0.309338 34O 1pz 0.068601 -0.045561 0.047936 -0.046375 -0.062487 0.044424 34O 1px -0.012703 0.034896 -0.010341 -0.012375 0.016020 0.027624 34O 1py -0.058126 -0.040755 -0.068895 -0.016521 -0.100605 0.046020 34O 2pz -0.053932 0.018468 -0.036607 0.031125 0.048793 -0.045425 34O 2px 0.111875 -0.309151 0.215059 0.034862 0.216132 -0.062614 34O 2py 0.013068 0.189268 -0.005134 0.029693 0.096867 -0.023658 34O 3pz -0.157799 0.037018 -0.211522 0.089005 -0.163567 -0.004701 34O 3px -0.158923 0.178489 0.146236 -0.057534 0.255587 0.210003 34O 3py 0.103328 -0.113226 0.316145 0.069072 -0.061479 0.070378 34O 1dz2 0.002447 0.000137 -0.004368 -0.001445 -0.000300 0.002631 34O 1dxz 0.000199 -0.004037 0.002396 -0.001657 0.000061 -0.001815 34O 1dyz 0.002668 0.009687 -0.005042 0.001040 -0.002053 0.001738 34O 1dx2y2 -0.002238 0.008411 0.000965 0.000870 0.000039 0.003266 34O 1dxy 0.000827 0.006245 -0.005707 0.000497 0.000084 0.001091 34O 2dz2 0.059748 -0.038894 -0.113072 -0.009460 -0.055241 -0.010986 34O 2dxz 0.119782 -0.045071 0.188419 -0.061864 -0.036995 0.014823 34O 2dyz 0.001820 -0.018580 -0.167318 0.006089 -0.071306 -0.039512 34O 2dx2y2 -0.079842 0.014843 -0.079087 -0.014498 0.002868 0.032967 34O 2dxy -0.150012 0.040893 -0.289984 0.022674 -0.109963 0.020511 34O 1f0 0.000659 0.002038 -0.005314 -0.000970 0.001162 -0.003091 34O 1f+1 -0.000798 0.007305 -0.003125 -0.004710 -0.008405 0.000399 34O 1f-1 0.000552 -0.004875 0.000218 0.001454 0.001279 -0.002931 34O 1f+2 0.004196 -0.000140 -0.005875 -0.000824 -0.001191 -0.000602 34O 1f-2 0.000064 0.008662 -0.003462 0.003047 0.001706 -0.000947 34O 1f+3 0.002532 -0.007635 -0.000283 -0.002261 -0.011895 -0.004847 34O 1f-3 -0.005701 -0.004598 -0.000682 -0.003026 0.002907 -0.004762 35O 1s -0.004868 -0.002734 0.001122 0.000130 0.001511 -0.000817 35O 2s -0.011738 -0.008858 0.003159 -0.000096 0.003184 -0.002526 35O 3s -0.028649 0.054300 0.007802 -0.036185 0.021250 -0.003424 35O 4s 0.597719 -0.073147 -0.029109 0.441888 -0.156142 0.217468 35O 5s 0.378271 -0.733841 -2.188679 0.454824 -0.643738 -0.046456 35O 1pz 0.034991 0.015132 -0.094450 -0.013541 -0.121207 0.084686 35O 1px -0.017597 -0.012613 0.016979 -0.063541 -0.068949 0.053699 35O 1py 0.010541 -0.018133 -0.031833 0.042290 0.104970 -0.131186 35O 2pz 0.002206 -0.038595 0.064221 0.137774 0.168384 -0.063840 35O 2px 0.385013 -0.048669 -0.235492 0.379592 -0.050440 0.048341 35O 2py 0.149973 -0.018768 -0.078434 0.137192 -0.182647 0.206325 35O 3pz 0.117890 0.089093 0.324892 -0.186895 -0.156665 0.120884 35O 3px 0.306797 -0.267435 -0.254330 -0.081736 -0.238354 0.065265 35O 3py 0.092682 0.048416 0.091021 -0.112893 0.095221 -0.028649 35O 1dz2 0.000583 -0.001289 0.000559 0.008134 0.001554 0.004632 35O 1dxz -0.004463 -0.000320 -0.002034 0.004032 0.003396 0.000559 35O 1dyz 0.000868 -0.002843 -0.003975 0.014321 -0.000439 0.003432 35O 1dx2y2 -0.000318 0.000455 -0.001140 -0.004879 -0.001579 -0.001806 35O 1dxy -0.003580 -0.001956 -0.004199 0.001850 -0.001200 0.000849 35O 2dz2 -0.049494 0.009852 -0.077816 -0.003272 -0.013446 -0.010782 35O 2dxz 0.031414 -0.035155 -0.229002 0.077612 -0.085436 0.071886 35O 2dyz 0.056367 -0.047666 -0.266327 0.051018 -0.120200 -0.032821 35O 2dx2y2 0.035470 0.012159 0.079387 -0.061451 -0.066872 0.071319 35O 2dxy 0.031821 -0.069497 -0.180368 0.044799 -0.013500 -0.056504 35O 1f0 -0.005443 0.002268 -0.002342 -0.003850 -0.000436 -0.002469 35O 1f+1 -0.004678 -0.000334 0.003781 0.005836 0.009827 0.003711 35O 1f-1 -0.011902 -0.001319 -0.003152 0.003093 0.004208 -0.001111 35O 1f+2 0.004701 0.002129 0.001887 -0.002251 -0.000391 0.002059 35O 1f-2 0.005407 -0.002822 0.000067 0.011995 0.003121 0.004228 35O 1f+3 -0.005380 0.001173 0.001558 0.001740 0.000121 -0.001284 35O 1f-3 -0.015852 -0.002743 0.005859 -0.007718 0.008429 -0.000764 444 445 446 447 448 449 2.55573 2.56033 2.56095 2.58536 2.59971 2.60840 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s 0.000735 -0.000209 0.001991 0.002685 0.002754 -0.000988 0Rh 2s -0.003717 0.000628 -0.011830 -0.011699 -0.016247 0.006158 0Rh 3s 0.002079 -0.000853 0.004562 0.008745 0.006391 -0.002095 0Rh 4s 0.019170 -0.003240 0.061178 0.060388 0.084177 -0.031931 0Rh 5s -0.029300 0.002523 -0.105727 -0.080954 -0.145225 0.056821 0Rh 6s -0.008449 0.012260 0.032799 -0.081456 0.040619 -0.022583 0Rh 7s 0.037332 -0.023635 -0.053872 0.486037 -0.024009 0.053560 0Rh 8s 0.093821 -0.057260 -0.312077 -0.105699 0.506173 -0.040901 0Rh 1pz -0.003540 -0.000816 -0.002135 -0.001363 -0.002156 -0.000579 0Rh 1px -0.001734 0.001019 -0.003943 -0.000363 -0.006427 0.001175 0Rh 1py 0.004145 -0.005270 0.001488 0.000064 -0.000710 -0.001094 0Rh 2pz 0.012848 0.002941 0.007902 0.004441 0.008030 0.002069 0Rh 2px 0.006386 -0.003772 0.014205 0.001978 0.023104 -0.004259 0Rh 2py -0.014944 0.019213 -0.005492 -0.000082 0.002424 0.004003 0Rh 3pz -0.015359 -0.002724 -0.012633 0.005012 -0.013859 -0.001118 0Rh 3px -0.009426 0.005904 -0.014211 -0.015731 -0.021694 0.004887 0Rh 3py 0.014880 -0.024345 0.008346 -0.003050 0.000467 -0.005432 0Rh 4pz -0.024859 -0.011603 -0.002256 -0.050095 0.002910 -0.014687 0Rh 4px -0.006504 0.002245 -0.042565 0.048749 -0.079101 0.009603 0Rh 4py 0.048453 -0.035027 0.004066 0.013345 -0.020188 -0.004937 0Rh 5pz 0.031314 0.031355 -0.003115 0.085204 -0.022817 0.053804 0Rh 5px 0.013933 -0.004326 0.074021 -0.073365 0.181790 -0.014807 0Rh 5py -0.112635 0.062390 -0.007664 -0.025559 0.044370 0.002134 0Rh 6pz 0.397905 -0.089555 0.154437 -0.257726 0.279335 -0.336683 0Rh 6px 0.097642 -0.063460 0.357133 -0.089889 -0.976862 -0.034713 0Rh 6py 0.203039 0.297131 0.062007 0.048314 -0.216537 0.185995 0Rh 1dz2 0.005531 0.005997 0.002005 0.001491 -0.003730 0.001363 0Rh 1dxz -0.003924 -0.001435 -0.001435 0.006499 -0.013740 0.005582 0Rh 1dyz 0.005690 0.016201 -0.005287 0.002553 -0.002758 0.002540 0Rh 1dx2y2 -0.000606 0.003302 -0.009329 -0.002609 0.006549 -0.000215 0Rh 1dxy -0.001335 0.004108 -0.004558 -0.003392 0.002199 -0.000344 0Rh 2dz2 0.001055 0.003277 -0.001177 -0.000855 -0.001522 -0.000532 0Rh 2dxz -0.000477 -0.000319 -0.002909 -0.002298 -0.002806 0.002140 0Rh 2dyz 0.004120 0.007922 0.000452 0.000453 -0.000104 -0.000007 0Rh 2dx2y2 0.001702 0.000443 0.003826 0.003136 0.003256 -0.000780 0Rh 2dxy 0.001672 0.004018 0.001830 0.001688 0.001639 -0.000786 0Rh 3dz2 -0.020516 -0.031912 -0.000268 -0.000259 0.017456 -0.001656 0Rh 3dxz 0.013339 0.005523 0.017352 -0.008199 0.051850 -0.025549 0Rh 3dyz -0.034814 -0.081881 0.012725 -0.009431 0.008188 -0.007295 0Rh 3dx2y2 -0.005927 -0.011454 0.008990 -0.006862 -0.033336 0.004138 0Rh 3dxy -0.003824 -0.029689 0.004512 0.001993 -0.013674 0.004492 0Rh 4dz2 0.018110 0.051857 -0.019065 -0.014409 -0.022864 -0.005149 0Rh 4dxz -0.008829 -0.005255 -0.047240 -0.032205 -0.043684 0.032679 0Rh 4dyz 0.064396 0.124645 0.009497 0.009190 0.000353 0.002260 0Rh 4dx2y2 0.024993 0.008741 0.060245 0.048914 0.049800 -0.011710 0Rh 4dxy 0.025795 0.059401 0.030000 0.025559 0.025507 -0.011361 0Rh 5dz2 -0.028567 -0.128314 0.088006 0.067430 0.009094 0.020851 0Rh 5dxz 0.005376 0.007599 0.181790 0.146703 -0.020504 -0.057266 0Rh 5dyz -0.178936 -0.297721 -0.115002 -0.025453 -0.055203 -0.000408 0Rh 5dx2y2 -0.080103 -0.016098 -0.315958 -0.192779 -0.046787 0.019499 0Rh 5dxy -0.096724 -0.147262 -0.172787 -0.119166 -0.053496 0.029400 0Rh 1f0 -0.022135 0.022463 0.004002 -0.002068 -0.016440 0.031549 0Rh 1f+1 0.005552 0.013601 0.009942 0.021778 0.038106 0.047374 0Rh 1f-1 0.032974 0.010107 0.015169 0.016073 0.039630 0.000897 0Rh 1f+2 -0.037717 0.014115 -0.119594 -0.024190 -0.061581 -0.001142 0Rh 1f-2 0.009460 0.057162 -0.026095 0.009467 0.002086 0.022489 0Rh 1f+3 0.024688 -0.025009 -0.006716 0.013744 0.036465 -0.005051 0Rh 1f-3 -0.020869 -0.011166 -0.048750 -0.005865 0.004910 0.004512 1Rh 1s 0.000672 -0.000315 -0.002045 0.002721 -0.002731 0.000984 1Rh 2s -0.003343 0.001233 0.012126 -0.011910 0.016107 -0.006282 1Rh 3s 0.001936 -0.001110 -0.004702 0.008827 -0.006338 0.001991 1Rh 4s 0.017235 -0.006367 -0.062705 0.061484 -0.083459 0.032568 1Rh 5s -0.025958 0.007837 0.108163 -0.082864 0.144017 -0.058589 1Rh 6s -0.009457 0.010884 -0.032502 -0.080796 -0.040511 0.025681 1Rh 7s 0.038327 -0.020004 0.047501 0.484266 0.027554 -0.050571 1Rh 8s 0.098858 -0.040149 0.310714 -0.110842 -0.512603 0.017340 1Rh 1pz 0.003482 0.000692 -0.002665 0.001473 -0.002367 -0.000658 1Rh 1px 0.001577 -0.001243 -0.004059 0.000446 -0.006448 0.001311 1Rh 1py -0.003870 0.005297 0.001487 -0.000080 -0.000740 -0.001078 1Rh 2pz -0.012627 -0.002480 0.009825 -0.004840 0.008795 0.002356 1Rh 2px -0.005817 0.004579 0.014638 -0.002277 0.023179 -0.004752 1Rh 2py 0.013937 -0.019309 -0.005473 0.000141 0.002533 0.003958 1Rh 3pz 0.014943 0.001943 -0.014852 -0.004540 -0.014726 -0.001423 1Rh 3px 0.008784 -0.006710 -0.014943 0.016041 -0.021740 0.005388 1Rh 3py -0.013526 0.024408 0.008015 0.003003 0.000334 -0.005686 1Rh 4pz 0.025029 0.011626 -0.006574 0.050951 0.001116 -0.015588 1Rh 4px 0.005108 -0.004675 -0.042613 -0.047893 -0.079382 0.011059 1Rh 4py -0.046958 0.035481 0.005648 -0.013610 -0.020357 -0.003548 1Rh 5pz -0.031737 -0.031637 0.004157 -0.086657 -0.019697 0.056245 1Rh 5px -0.011422 0.008594 0.074124 0.071866 0.182123 -0.016617 1Rh 5py 0.110202 -0.063675 -0.012448 0.026380 0.044472 -0.000879 1Rh 6pz -0.389583 0.093275 0.189525 0.253651 0.280289 -0.342876 1Rh 6px -0.086414 0.082420 0.366219 0.082708 -0.976688 -0.053427 1Rh 6py -0.216646 -0.277720 0.091202 -0.061297 -0.211180 0.232304 1Rh 1dz2 0.005934 0.005786 -0.002787 0.001716 0.003681 -0.001084 1Rh 1dxz -0.003811 -0.001401 0.001862 0.006518 0.013733 -0.006365 1Rh 1dyz 0.006434 0.016497 0.003969 0.002617 0.002564 -0.003033 1Rh 1dx2y2 -0.000007 0.003757 0.009210 -0.002649 -0.006546 0.000286 1Rh 1dxy -0.001152 0.004434 0.004315 -0.003483 -0.002188 0.001061 1Rh 2dz2 0.000997 0.003335 0.000984 -0.000871 0.001464 0.000465 1Rh 2dxz -0.000396 -0.000152 0.002931 -0.002352 0.002790 -0.002339 1Rh 2dyz 0.003900 0.007875 -0.001067 0.000465 0.000065 -0.000150 1Rh 2dx2y2 0.001552 0.000206 -0.003971 0.003215 -0.003264 0.000527 1Rh 2dxy 0.001518 0.003898 -0.002141 0.001711 -0.001650 0.000715 1Rh 3dz2 -0.021395 -0.031585 0.003367 -0.000822 -0.017064 0.001139 1Rh 3dxz 0.012642 0.004666 -0.018677 -0.008004 -0.051761 0.028654 1Rh 3dyz -0.035893 -0.082499 -0.006205 -0.009668 -0.007452 0.009444 1Rh 3dx2y2 -0.006944 -0.011661 -0.008001 -0.007109 0.033362 -0.003217 1Rh 3dxy -0.003634 -0.030065 -0.002426 0.002146 0.013690 -0.006219 1Rh 4dz2 0.017280 0.052788 0.015873 -0.014673 0.022129 0.004521 1Rh 4dxz -0.007389 -0.002548 0.047795 -0.033088 0.043483 -0.035318 1Rh 4dyz 0.060590 0.123752 -0.019091 0.009348 -0.001039 -0.005300 1Rh 4dx2y2 0.022705 0.004982 -0.062423 0.050198 -0.049891 0.008154 1Rh 4dxy 0.023222 0.057484 -0.034620 0.025915 -0.025644 0.010429 1Rh 5dz2 -0.021860 -0.133347 -0.082764 0.070690 -0.007955 -0.018575 1Rh 5dxz -0.000499 -0.003303 -0.181345 0.150608 0.020567 0.055968 1Rh 5dyz -0.153672 -0.289336 0.136485 -0.024802 0.056023 0.010312 1Rh 5dx2y2 -0.066503 0.002716 0.321922 -0.198502 0.046992 -0.007977 1Rh 5dxy -0.083343 -0.136231 0.184712 -0.121090 0.053754 -0.020009 1Rh 1f0 0.019150 -0.021559 0.003391 0.001111 -0.016821 0.030967 1Rh 1f+1 -0.004385 -0.012973 0.011051 -0.022108 0.038599 0.053137 1Rh 1f-1 -0.036510 -0.007948 0.020318 -0.017780 0.041453 0.000699 1Rh 1f+2 0.032197 -0.020679 -0.123096 0.026448 -0.062802 -0.003063 1Rh 1f-2 -0.011417 -0.056982 -0.022643 -0.009566 0.002454 0.024769 1Rh 1f+3 -0.023119 0.023591 -0.005560 -0.013259 0.037421 -0.002256 1Rh 1f-3 0.016155 0.009238 -0.050077 0.006115 0.004795 0.002202 2C 1s 0.000878 0.004066 0.000181 -0.001558 0.000321 0.000472 2C 2s 0.001419 0.011231 0.002351 -0.005645 0.003243 0.000855 2C 3s -0.144752 -0.439128 0.008070 0.066619 0.016828 0.076921 2C 4s 0.745026 1.963675 -0.176297 -0.021979 -0.272417 -0.487541 2C 5s 0.725604 1.218154 -0.376983 0.049011 -0.173667 0.090974 2C 1pz 0.010681 -0.119815 -0.037009 0.021347 0.034125 -0.003605 2C 1px -0.073248 -0.146956 0.051858 0.114609 -0.043842 0.025724 2C 1py -0.127605 -0.109175 0.084470 -0.001336 0.001504 0.031605 2C 2pz 0.924514 1.066680 -0.398440 -0.165830 0.377597 -0.452353 2C 2px -0.012701 -0.713258 -0.455747 1.220107 -1.542310 0.479562 2C 2py -0.570549 0.558153 0.537998 -0.125400 -0.248228 0.061344 2C 3pz 0.060064 0.341862 0.040292 0.021306 -0.023776 -0.043488 2C 3px 0.062034 0.157993 -0.022715 -0.085587 0.151062 0.010901 2C 3py 0.250678 0.233992 -0.164961 0.078911 -0.043858 -0.016802 2C 1dz2 0.082596 0.062925 -0.057887 -0.007846 0.005611 -0.013797 2C 1dxz 0.026675 -0.079699 -0.065541 0.101783 -0.131693 0.042353 2C 1dyz 0.020241 0.105804 0.009362 -0.064005 0.040559 -0.033838 2C 1dx2y2 0.066292 0.020578 -0.025339 -0.054210 0.085605 -0.029653 2C 1dxy -0.076857 -0.029841 0.032993 0.021249 -0.076277 0.045291 2C 2dz2 -0.476602 -0.057863 0.417346 0.049852 -0.058754 0.010795 2C 2dxz 0.039117 0.682136 0.133761 -0.640520 0.535139 -0.211700 2C 2dyz 0.191875 -0.026448 -0.198224 0.325231 -0.334806 0.075330 2C 2dx2y2 -0.430934 -0.216749 0.171647 0.131643 -0.470267 0.321568 2C 2dxy 0.551756 0.359059 -0.360302 -0.227997 0.235703 -0.148690 2C 1f0 -0.103809 -0.047866 0.073799 0.054893 -0.087107 0.056253 2C 1f+1 0.058200 -0.040556 -0.058365 0.051454 -0.025802 -0.010227 2C 1f-1 0.072026 0.093661 -0.027009 -0.040412 0.043420 -0.031934 2C 1f+2 0.007431 0.010843 0.016989 -0.088691 0.084375 -0.011768 2C 1f-2 -0.017921 0.073128 0.016728 -0.068393 0.007956 -0.010394 2C 1f+3 -0.102098 -0.034070 0.078196 -0.019756 -0.004808 0.021323 2C 1f-3 -0.024204 -0.087576 -0.008760 0.108172 -0.073379 0.016232 3C 1s -0.002414 -0.003618 -0.000617 -0.002643 0.000016 -0.000960 3C 2s -0.006877 -0.009465 -0.000519 -0.008589 0.001763 -0.002920 3C 3s 0.185225 0.401273 0.094274 0.160285 0.057561 -0.004347 3C 4s -0.727232 -1.851130 -0.627294 -0.410553 -0.459081 0.167787 3C 5s -0.459017 -1.431083 0.000085 -0.229153 0.065839 -0.065680 3C 1pz -0.028689 0.042617 0.048631 -0.044440 0.026497 -0.003173 3C 1px -0.057427 0.202235 0.176989 0.113432 -0.041502 -0.044886 3C 1py -0.127971 -0.113908 0.047782 -0.071746 -0.030017 -0.006512 3C 2pz -0.878490 -0.716437 0.301482 -0.813724 0.419154 -0.009824 3C 2px -0.693709 0.535395 0.468505 0.881621 -1.622365 -0.031084 3C 2py -0.342977 1.069964 0.829917 0.088949 -0.153087 -0.219055 3C 3pz 0.046858 -0.196989 -0.066439 0.079720 -0.063473 0.019622 3C 3px 0.005047 -0.279127 -0.202819 -0.104054 0.033937 -0.046701 3C 3py 0.246961 0.335765 -0.112390 0.082856 -0.040335 0.027845 3C 1dz2 -0.001820 -0.014475 0.006249 -0.011327 0.051529 0.002901 3C 1dxz -0.102471 0.085964 0.098683 0.074157 -0.157301 -0.019633 3C 1dyz 0.066281 0.112784 0.012484 0.104519 -0.060973 0.002528 3C 1dx2y2 -0.081829 0.067244 0.089855 -0.007366 0.003490 -0.005243 3C 1dxy 0.013832 -0.015773 0.002511 -0.030856 0.057188 -0.001840 3C 2dz2 0.117815 0.240419 0.008532 0.260324 -0.143894 -0.028758 3C 2dxz 0.563878 -0.681399 -0.724309 -0.358556 0.718620 0.176508 3C 2dyz -0.195494 -0.220001 0.039964 -0.498704 0.414501 -0.003362 3C 2dx2y2 0.649157 -0.203750 -0.642146 0.028524 -0.003309 0.053168 3C 2dxy -0.019739 0.604072 0.454522 0.387458 -0.080572 -0.081769 3C 1f0 0.104039 -0.006218 -0.084927 0.055344 0.004313 0.013774 3C 1f+1 -0.022501 0.093656 0.064612 0.105290 -0.090238 -0.014425 3C 1f-1 -0.076899 0.017898 0.074685 -0.044517 -0.029167 -0.014014 3C 1f+2 0.011940 0.111099 0.063025 0.038791 -0.002235 -0.004314 3C 1f-2 0.039600 -0.008176 -0.026416 -0.036466 0.062694 -0.001792 3C 1f+3 0.104772 -0.076452 -0.122183 -0.015948 0.060505 0.032719 3C 1f-3 0.010278 -0.102764 -0.055145 -0.119850 0.114185 0.033829 4C 1s 0.000618 -0.001629 -0.002199 0.001424 -0.001414 0.001257 4C 2s -0.001337 -0.013965 -0.005310 0.007663 -0.003346 0.004234 4C 3s 0.179683 0.556953 0.064010 -0.165939 0.129874 -0.108470 4C 4s -0.824766 -2.222139 -0.151661 0.420409 -0.668998 0.572962 4C 5s -0.451086 -0.781986 0.384290 0.202686 -0.313439 0.093772 4C 1pz -0.007259 -0.017778 0.024570 -0.028880 0.025021 0.015188 4C 1px 0.018199 0.078021 -0.010646 -0.036637 -0.040724 0.034308 4C 1py -0.003403 0.016774 -0.002384 -0.030467 -0.000053 0.017579 4C 2pz 0.198623 0.532798 -0.161851 0.179703 -0.283932 -0.030416 4C 2px 0.217300 -0.146310 -0.159827 0.057142 0.006091 -0.594399 4C 2py 0.119481 0.282721 -0.056194 0.081591 -0.167670 -0.218551 4C 3pz 0.492778 1.093726 -0.082801 0.162160 -0.129925 -0.039741 4C 3px 0.063197 0.206594 0.201268 -0.060732 0.030738 -0.316179 4C 3py 0.197383 0.754423 0.080689 0.052382 -0.029364 -0.109998 4C 1dz2 0.008846 0.066532 -0.026858 -0.004994 -0.038029 -0.020847 4C 1dxz -0.011516 0.030443 0.020868 -0.023756 0.008592 0.019394 4C 1dyz 0.055968 0.094878 -0.013854 0.015043 -0.019317 -0.020605 4C 1dx2y2 -0.027898 -0.009090 0.041198 0.008829 0.024010 -0.008360 4C 1dxy 0.032739 0.038095 -0.020915 0.026925 -0.010640 0.015121 4C 2dz2 -0.302912 -0.250899 0.299311 -0.152361 0.303445 0.119227 4C 2dxz 0.153920 0.021255 -0.205312 -0.120909 -0.173847 0.005539 4C 2dyz -0.206346 -0.447655 0.088304 -0.023767 0.097663 0.086707 4C 2dx2y2 -0.030727 -0.035038 -0.038583 0.167110 -0.212408 -0.041822 4C 2dxy 0.184218 -0.088218 -0.298716 0.093255 -0.230470 -0.062867 4C 1f0 0.094390 0.049084 -0.035956 -0.034355 0.050672 -0.020978 4C 1f+1 0.004769 0.017132 -0.002329 0.016257 -0.040050 0.034399 4C 1f-1 -0.028733 -0.024398 0.033030 -0.000099 0.040064 -0.008479 4C 1f+2 -0.020905 -0.059935 -0.018045 0.024723 -0.041252 0.017043 4C 1f-2 -0.004001 -0.047052 -0.012031 0.034040 -0.054139 0.027112 4C 1f+3 0.023074 -0.031225 -0.014481 0.022662 -0.026217 0.021809 4C 1f-3 -0.003458 0.058741 0.037329 -0.038138 0.042433 -0.014379 5C 1s 0.001095 0.000910 0.000242 0.002057 0.000249 0.001231 5C 2s 0.007487 0.010957 0.002146 0.011563 0.002250 0.003365 5C 3s -0.231695 -0.494275 -0.055224 -0.341278 -0.008537 -0.032123 5C 4s 0.825161 2.012575 0.251269 1.198202 -0.045229 0.015065 5C 5s 0.312807 0.863299 -0.073455 0.566574 -0.241905 -0.107371 5C 1pz -0.023017 0.014430 0.022020 -0.014550 0.025590 -0.007798 5C 1px 0.034218 -0.044329 -0.038077 -0.058192 -0.054716 -0.018550 5C 1py 0.023750 -0.004711 -0.044954 0.042827 -0.023081 0.025779 5C 2pz -0.103142 -0.266931 -0.152875 0.032450 -0.232544 -0.073315 5C 2px -0.181455 -0.246370 -0.029469 0.172208 0.227290 0.575581 5C 2py 0.048074 0.471463 0.434613 -0.184465 0.302075 -0.094681 5C 3pz -0.389405 -0.689981 -0.056389 -0.056147 -0.056653 -0.179484 5C 3px -0.095193 -0.357254 0.256885 -0.023621 0.172958 0.127407 5C 3py 0.415849 1.150190 0.117354 0.048117 0.048613 0.174900 5C 1dz2 0.020190 0.039740 0.003987 -0.006239 0.011680 0.001827 5C 1dxz 0.028989 -0.031468 -0.047980 -0.006430 -0.046790 -0.014099 5C 1dyz 0.013586 0.090155 0.058147 -0.002851 0.040028 -0.013409 5C 1dx2y2 0.046894 0.044808 -0.000409 0.026830 0.013141 -0.020143 5C 1dxy 0.042526 0.048645 -0.000703 0.021243 0.000876 0.031460 5C 2dz2 -0.068710 -0.040014 0.143348 -0.102734 0.095762 -0.104641 5C 2dxz 0.089368 -0.125016 -0.180670 -0.165237 -0.004559 0.078942 5C 2dyz -0.145903 -0.539123 -0.280126 -0.138090 -0.215828 0.158335 5C 2dx2y2 0.094370 -0.367089 -0.541820 0.252371 -0.339690 0.260060 5C 2dxy -0.083858 0.042295 0.179128 0.029567 0.150568 -0.166876 5C 1f0 -0.042314 -0.029634 0.007478 -0.026073 -0.005414 0.009340 5C 1f+1 -0.029802 -0.060338 -0.014559 -0.037831 0.017278 0.002901 5C 1f-1 0.049448 -0.004151 -0.051729 0.012786 -0.042731 0.006145 5C 1f+2 -0.004150 0.005121 -0.011278 0.022200 -0.053898 -0.004648 5C 1f-2 0.010744 0.029805 0.021143 0.002182 0.027262 -0.004028 5C 1f+3 -0.050585 0.051393 0.080355 0.013623 -0.031515 -0.018566 5C 1f-3 -0.042610 0.098491 0.051493 0.050749 -0.075595 -0.008946 6C 1s 0.001084 0.000843 -0.000341 0.002047 -0.000252 -0.001308 6C 2s 0.007283 0.010683 -0.003154 0.011527 -0.002307 -0.003800 6C 3s -0.224169 -0.488693 0.093254 -0.340258 0.010360 0.055955 6C 4s 0.788530 1.993897 -0.394384 1.191491 0.039025 -0.132613 6C 5s 0.311361 0.878773 0.006196 0.558697 0.247217 0.058533 6C 1pz 0.024975 -0.013635 0.020438 0.014578 0.025421 -0.008092 6C 1px -0.036640 0.042687 -0.036760 0.058342 -0.054646 -0.023430 6C 1py -0.028517 0.003432 -0.043028 -0.042543 -0.023589 0.025700 6C 2pz 0.084629 0.259251 -0.171164 -0.032689 -0.233518 -0.061652 6C 2px 0.181799 0.244496 -0.054897 -0.169659 0.221192 0.589879 6C 2py -0.001952 -0.454037 0.461368 0.179603 0.308099 -0.107367 6C 3pz 0.385605 0.680902 -0.117320 0.059330 -0.061443 -0.177208 6C 3px 0.105433 0.363814 0.234762 0.022251 0.163468 0.106277 6C 3py -0.407782 -1.134014 0.204132 -0.055829 0.052821 0.160432 6C 1dz2 0.019865 0.039119 -0.006178 -0.006052 -0.010958 -0.001494 6C 1dxz 0.032469 -0.029614 0.047797 -0.007075 0.046132 0.014520 6C 1dyz 0.009086 0.087276 -0.063603 -0.001530 -0.041473 0.008420 6C 1dx2y2 0.047012 0.044783 -0.005006 0.026713 -0.013545 0.020464 6C 1dxy 0.040974 0.048807 -0.004989 0.021070 -0.001737 -0.031690 6C 2dz2 -0.074980 -0.047546 -0.134340 -0.102329 -0.095842 0.111634 6C 2dxz 0.096749 -0.115005 0.176511 -0.166023 0.001471 -0.075596 6C 2dyz -0.125719 -0.523518 0.313284 -0.140069 0.217584 -0.147083 6C 2dx2y2 0.133730 -0.341693 0.550281 0.244344 0.340148 -0.277868 6C 2dxy -0.085284 0.030147 -0.170253 0.033310 -0.144286 0.169586 6C 1f0 0.043530 0.030083 0.003123 0.026529 -0.005599 0.009409 6C 1f+1 0.028221 0.058734 -0.018813 0.037667 0.017051 0.003363 6C 1f-1 -0.054075 0.002005 -0.049379 -0.012572 -0.041885 0.009130 6C 1f+2 0.002805 -0.005491 -0.012241 -0.021898 -0.054106 -0.006269 6C 1f-2 -0.009550 -0.027536 0.022496 -0.002500 0.027311 -0.002020 6C 1f+3 0.057818 -0.047501 0.078156 -0.013305 -0.030903 -0.018393 6C 1f-3 0.048736 -0.096545 0.053004 -0.050709 -0.075435 -0.006860 7C 1s 0.000693 -0.001539 0.002207 0.001346 0.001416 -0.001310 7C 2s -0.001105 -0.013797 0.005987 0.007451 0.003434 -0.004275 7C 3s 0.175616 0.555677 -0.101913 -0.164579 -0.134728 0.089758 7C 4s -0.811329 -2.220790 0.314108 0.423768 0.690710 -0.458700 7C 5s -0.469811 -0.801582 -0.315901 0.220397 0.331742 -0.005311 7C 1pz 0.006084 0.019658 0.021904 0.027000 0.024632 0.013879 7C 1px -0.017275 -0.078820 -0.005486 0.037281 -0.040368 0.032110 7C 1py 0.002208 -0.017047 -0.002159 0.030299 0.000225 0.017382 7C 2pz -0.184415 -0.546431 -0.117135 -0.169537 -0.278615 -0.034969 7C 2px -0.225246 0.134896 -0.141688 -0.054231 0.011168 -0.558056 7C 2py -0.108190 -0.288826 -0.027746 -0.079165 -0.165372 -0.215342 7C 3pz -0.489275 -1.097345 0.006710 -0.160952 -0.116663 -0.050724 7C 3px -0.060288 -0.192477 0.213856 0.055359 0.026935 -0.301628 7C 3py -0.191112 -0.748373 0.133883 -0.054347 -0.023260 -0.099603 7C 1dz2 0.009297 0.067459 0.022405 -0.005547 0.037756 0.021845 7C 1dxz -0.013931 0.028840 -0.021571 -0.023417 -0.007805 -0.016868 7C 1dyz 0.054325 0.096980 0.004932 0.014462 0.018816 0.017390 7C 1dx2y2 -0.030651 -0.012268 -0.038665 0.009425 -0.022309 0.008694 7C 1dxy 0.033575 0.039423 0.016315 0.026120 0.008984 -0.015389 7C 2dz2 -0.299260 -0.269215 -0.256171 -0.142460 -0.295395 -0.113608 7C 2dxz 0.156593 0.033415 0.184403 -0.123082 0.163984 -0.017510 7C 2dyz -0.201125 -0.456254 -0.049546 -0.021354 -0.093916 -0.071061 7C 2dx2y2 -0.038486 -0.029860 0.037668 0.164521 0.209894 0.041825 7C 2dxy 0.185430 -0.070840 0.279005 0.087293 0.227367 0.066308 7C 1f0 -0.094356 -0.051818 -0.026129 0.034843 0.051045 -0.019209 7C 1f+1 -0.007789 -0.018469 -0.002724 -0.016491 -0.039048 0.034193 7C 1f-1 0.027716 0.026094 0.028953 -0.000544 0.039574 -0.008157 7C 1f+2 0.017195 0.057608 -0.023628 -0.025175 -0.041806 0.012728 7C 1f-2 0.002584 0.046948 -0.015210 -0.035197 -0.054788 0.022634 7C 1f+3 -0.024229 0.031558 -0.015237 -0.023555 -0.026827 0.022607 7C 1f-3 0.006253 -0.056419 0.040000 0.037793 0.042057 -0.014707 8C 1s -0.002321 -0.003551 0.000963 -0.002615 0.000005 0.000903 8C 2s -0.006674 -0.009312 0.001440 -0.008463 -0.001726 0.002728 8C 3s 0.173061 0.394990 -0.126142 0.160550 -0.060414 -0.002870 8C 4s -0.656329 -1.817074 0.765413 -0.416863 0.474335 -0.130112 8C 5s -0.465848 -1.428946 0.107880 -0.234735 -0.063473 0.060564 8C 1pz 0.034841 -0.041474 0.050688 0.042699 0.026966 -0.002940 8C 1px 0.070444 -0.194119 0.180099 -0.114666 -0.040948 -0.042495 8C 1py 0.130984 0.115074 0.033217 0.070531 -0.030663 -0.007988 8C 2pz 0.902380 0.717994 0.222822 0.798067 0.409248 -0.023146 8C 2px 0.746859 -0.523225 0.434876 -0.874896 -1.609874 -0.013377 8C 2py 0.430035 -1.040932 0.861476 -0.097705 -0.146899 -0.215412 8C 3pz -0.052412 0.194532 -0.075305 -0.075998 -0.063798 0.021570 8C 3px -0.019329 0.269299 -0.213252 0.106035 0.037340 -0.043965 8C 3py -0.254289 -0.338158 -0.079013 -0.081484 -0.036716 0.038217 8C 1dz2 -0.002835 -0.013456 -0.007387 -0.009742 -0.049612 -0.002422 8C 1dxz -0.114093 0.082406 -0.095512 0.072794 0.155784 0.019601 8C 1dyz 0.064215 0.112029 -0.021474 0.104000 0.060520 -0.006232 8C 1dx2y2 -0.089828 0.063882 -0.087489 -0.006595 -0.004572 0.003586 8C 1dxy 0.013605 -0.016180 -0.004303 -0.030903 -0.058720 0.001561 8C 2dz2 0.121119 0.231622 -0.018583 0.250080 0.132862 0.023553 8C 2dxz 0.638916 -0.653368 0.715224 -0.357082 -0.710534 -0.170966 8C 2dyz -0.199803 -0.219914 -0.024734 -0.492869 -0.417219 0.011312 8C 2dx2y2 0.697310 -0.177839 0.605700 0.021682 0.006469 -0.054780 8C 2dxy -0.049883 0.582069 -0.469070 0.391158 0.086265 0.078862 8C 1f0 -0.111167 0.002175 -0.077422 -0.055612 0.002307 0.013762 8C 1f+1 0.028988 -0.091403 0.067628 -0.104319 -0.089419 -0.013082 8C 1f-1 0.084407 -0.014909 0.070004 0.044067 -0.028389 -0.015545 8C 1f+2 -0.004773 -0.108230 0.069773 -0.038716 -0.001830 -0.002756 8C 1f-2 -0.043471 0.006019 -0.023931 0.034658 0.062576 -0.000548 8C 1f+3 -0.115360 0.069920 -0.117209 0.014997 0.057402 0.030860 8C 1f-3 -0.016175 0.100701 -0.059153 0.119563 0.114209 0.033093 9C 1s 0.000845 0.004079 -0.000427 -0.001541 -0.000369 -0.000392 9C 2s 0.001281 0.011159 -0.002939 -0.005573 -0.003394 -0.000643 9C 3s -0.139624 -0.441529 0.023810 0.067553 -0.012518 -0.069286 9C 4s 0.718501 1.983258 0.021703 -0.031699 0.254796 0.439981 9C 5s 0.741938 1.236291 0.264967 0.037426 0.154353 -0.119477 9C 1pz -0.013097 0.116926 -0.041362 -0.019498 0.032805 -0.005191 9C 1px 0.067661 0.149431 0.035327 -0.117094 -0.045387 0.021252 9C 1py 0.130137 0.116556 0.069781 -0.002352 0.000460 0.027961 9C 2pz -0.925484 -1.101726 -0.276955 0.187812 0.384167 -0.412645 9C 2px -0.049507 0.681699 -0.511379 -1.227890 -1.530686 0.439760 9C 2py 0.615379 -0.517236 0.528773 0.107663 -0.240728 0.068685 9C 3pz -0.057329 -0.336360 0.060402 -0.022763 -0.023198 -0.032595 9C 3px -0.053876 -0.157527 -0.004302 0.089634 0.156811 0.017357 9C 3py -0.259000 -0.246705 -0.134631 -0.073517 -0.036776 -0.016875 9C 1dz2 0.084184 0.067455 0.048134 -0.009617 -0.007640 0.011897 9C 1dxz 0.034553 -0.075949 0.070382 0.103776 0.133897 -0.038800 9C 1dyz 0.017855 0.104956 -0.015807 -0.063967 -0.039514 0.031537 9C 1dx2y2 0.068395 0.022430 0.020786 -0.054577 -0.084680 0.028068 9C 1dxy -0.075509 -0.030948 -0.025416 0.020793 0.072186 -0.041801 9C 2dz2 -0.489215 -0.090405 -0.374108 0.065335 0.064071 -0.011765 9C 2dxz -0.008841 0.672981 -0.193279 -0.654708 -0.551498 0.191329 9C 2dyz 0.200652 -0.008166 0.182720 0.318007 0.327824 -0.069428 9C 2dx2y2 -0.445634 -0.233073 -0.137627 0.139469 0.466149 -0.302700 9C 2dxy 0.545130 0.377204 0.296232 -0.231651 -0.218603 0.124713 9C 1f0 0.106782 0.051956 0.063842 -0.056797 -0.084163 0.053848 9C 1f+1 -0.060565 0.038799 -0.055801 -0.053128 -0.029700 -0.008228 9C 1f-1 -0.070434 -0.094267 -0.016663 0.040250 0.042770 -0.028928 9C 1f+2 -0.005100 -0.006794 0.018300 0.086033 0.083133 -0.009866 9C 1f-2 0.019093 -0.072320 0.019545 0.069493 0.010485 -0.009310 9C 1f+3 0.104374 0.035995 0.069572 0.021402 -0.001714 0.018806 9C 1f-3 0.023646 0.088993 -0.014079 -0.108975 -0.074703 0.013897 10H 1s -0.025840 -0.042469 0.014066 0.101638 -0.063986 -0.002585 10H 2s 0.383595 0.986992 0.181961 -1.435984 1.737972 -0.617975 10H 3s -0.160099 -0.261100 0.047068 0.375137 -0.409991 0.084261 10H 1pz -0.107079 0.047049 0.182906 -0.220685 0.321294 -0.114409 10H 1px -0.225592 -0.434874 0.041037 0.512196 -0.533400 0.175031 10H 1py 0.107080 -0.045351 -0.053323 0.025642 0.123546 -0.079421 11H 1s -0.047067 0.068207 0.047147 -0.092711 0.001303 0.023038 11H 2s 0.754287 -0.831487 -0.826499 0.994353 -0.553593 0.088001 11H 3s -0.293189 0.172577 0.321897 -0.274385 0.230073 -0.067046 11H 1pz 0.025008 -0.225430 -0.086080 0.235059 -0.164098 0.033053 11H 1px 0.308970 -0.087020 -0.290572 0.136193 -0.062824 0.026289 11H 1py -0.147727 0.264761 0.173221 -0.322852 0.166952 -0.011687 12H 1s 0.128696 0.066738 -0.117254 -0.009641 0.022308 -0.031036 12H 2s -1.455995 -0.836968 0.900023 0.491955 -0.892867 0.593681 12H 3s 0.354479 0.166951 -0.248665 -0.064808 0.238344 -0.167973 12H 1pz 0.317113 0.148900 -0.221173 -0.075692 0.098432 -0.050645 12H 1px -0.244270 0.006877 0.173496 -0.114661 -0.051916 0.118792 12H 1py -0.414618 -0.332271 0.223495 0.253825 -0.331179 0.189223 13H 1s -0.022406 0.059032 0.052215 0.106334 -0.061504 -0.012478 13H 2s 0.348011 -1.079351 -0.643191 -1.367728 1.746840 0.176584 13H 3s -0.076939 0.345996 0.208109 0.382151 -0.400213 -0.041909 13H 1pz 0.223227 -0.248741 -0.254541 -0.264367 0.436075 0.047781 13H 1px -0.033980 0.420310 0.228381 0.476305 -0.407535 -0.046219 13H 1py 0.111418 -0.104305 -0.224692 0.078439 -0.226427 0.013248 14H 1s 0.090106 -0.116055 -0.160140 -0.020711 0.027383 0.037944 14H 2s -1.284193 1.290049 1.542210 0.576489 -1.156232 -0.294545 14H 3s 0.362147 -0.284923 -0.474382 -0.092931 0.214949 0.063823 14H 1pz -0.104228 0.292430 0.181660 0.284111 -0.287477 -0.035218 14H 1px -0.455288 0.344437 0.493430 0.075303 -0.322967 -0.105670 14H 1py -0.268478 0.259083 0.367448 0.128868 -0.072662 -0.023420 15H 1s -0.103904 -0.043825 0.066158 -0.105726 0.006185 -0.009788 15H 2s 1.221188 0.440668 -0.698345 1.006113 -0.320399 0.106260 15H 3s -0.356685 -0.025563 0.234464 -0.285416 0.135827 -0.046808 15H 1pz -0.413989 -0.102369 0.285227 -0.306826 0.099237 -0.031831 15H 1px 0.171455 -0.162243 -0.224608 -0.121025 0.075899 0.004254 15H 1py -0.210039 -0.178071 0.061154 -0.278788 0.101447 -0.021712 16H 1s 0.003191 -0.029631 0.060669 0.024236 -0.001248 0.030902 16H 2s -0.113106 -0.039332 -0.055711 0.161476 0.402179 1.004179 16H 3s -0.009688 -0.044652 0.142059 0.050683 0.064430 0.153406 16H 1pz -0.070810 -0.046149 0.065916 0.135798 0.268269 0.643406 16H 1px -0.017618 0.025492 -0.027645 -0.081001 -0.097862 -0.049989 16H 1py -0.016512 -0.052112 0.014645 0.088386 0.108737 0.270120 17H 1s 0.003452 0.037816 0.028569 0.049424 -0.001338 -0.044089 17H 2s 0.049004 0.072600 -0.204396 -0.168860 0.016708 -1.100373 17H 3s -0.009793 0.087832 0.067509 0.086650 0.001568 -0.200874 17H 1pz -0.023564 -0.089644 0.069978 0.086995 0.036079 0.429529 17H 1px -0.035535 -0.029048 0.034399 -0.011725 -0.049295 0.518938 17H 1py 0.023606 0.014427 -0.057873 -0.005492 0.007255 -0.412344 18H 1s 0.006424 0.033845 -0.030331 0.050606 0.002486 0.050786 18H 2s 0.066660 0.092712 0.188490 -0.177757 -0.005773 1.263292 18H 3s -0.005456 0.082052 -0.071033 0.088395 0.001213 0.224569 18H 1pz 0.032716 0.097906 0.060478 -0.089074 0.038022 0.498842 18H 1px 0.044350 0.031771 0.027386 0.009760 -0.043371 0.593499 18H 1py -0.034013 -0.014523 -0.051192 0.007003 -0.000032 -0.467259 19H 1s 0.000511 -0.034693 -0.060614 0.024876 0.002056 -0.032922 19H 2s -0.108624 -0.039814 0.063149 0.155375 -0.387337 -1.038111 19H 3s -0.015837 -0.053484 -0.142102 0.051990 -0.061687 -0.160433 19H 1pz 0.071970 0.052055 0.060187 -0.131203 0.256481 0.665573 19H 1px 0.018198 -0.029725 -0.027520 0.082483 -0.096388 -0.051745 19H 1py 0.015329 0.059318 0.012541 -0.088746 0.106294 0.283492 20H 1s -0.110334 -0.045811 -0.057087 -0.104112 -0.006596 0.010467 20H 2s 1.283740 0.463235 0.604940 0.993341 0.324082 -0.126833 20H 3s -0.374260 -0.032255 -0.212974 -0.279654 -0.135980 0.058571 20H 1pz 0.438271 0.113704 0.254521 0.303237 0.101054 -0.038635 20H 1px -0.194098 0.151488 -0.220331 0.118197 0.073936 0.004243 20H 1py 0.213588 0.179586 0.039774 0.276056 0.102134 -0.027625 21H 1s 0.102529 -0.109681 0.158567 -0.022566 -0.026618 -0.036895 21H 2s -1.430922 1.231308 -1.510928 0.580070 1.136388 0.274253 21H 3s 0.404692 -0.264899 0.459323 -0.095434 -0.212571 -0.058536 21H 1pz 0.127342 -0.288103 0.190070 -0.282143 -0.285506 -0.030785 21H 1px 0.500477 -0.323286 0.475446 -0.075984 -0.314899 -0.099461 21H 1py 0.300607 -0.243043 0.359439 -0.130307 -0.073093 -0.020336 22H 1s -0.024646 0.055798 -0.051813 0.106205 0.061883 0.012412 22H 2s 0.414754 -1.051345 0.651079 -1.353357 -1.737540 -0.164696 22H 3s -0.092772 0.336778 -0.214646 0.379773 0.401323 0.044091 22H 1pz -0.248270 0.236885 -0.246186 0.259800 0.429766 0.043855 22H 1px 0.057402 -0.411212 0.241109 -0.472265 -0.407906 -0.043291 22H 1py -0.126943 0.091945 -0.220408 -0.077613 -0.227632 0.015690 23H 1s 0.132266 0.074174 0.102764 -0.013717 -0.022546 0.027657 23H 2s -1.478110 -0.895420 -0.749322 0.516639 0.873919 -0.545028 23H 3s 0.361268 0.183035 0.210828 -0.072385 -0.237625 0.159678 23H 1pz -0.322499 -0.162623 -0.188931 0.081201 0.099902 -0.045851 23H 1px 0.247138 -0.000216 0.154507 0.114822 -0.044040 0.109980 23H 1py 0.419888 0.346672 0.177568 -0.259317 -0.325042 0.174078 24H 1s -0.051128 0.064817 -0.047302 -0.090492 -0.002561 -0.023067 24H 2s 0.828791 -0.776983 0.830142 0.991056 0.574217 -0.072799 24H 3s -0.317706 0.151602 -0.313021 -0.269599 -0.232022 0.061507 24H 1pz -0.035398 0.219233 -0.097498 -0.236342 -0.168421 0.027452 24H 1px -0.329675 0.072956 -0.278272 -0.137936 -0.071357 0.023731 24H 1py 0.162865 -0.251739 0.177404 0.321289 0.168851 -0.007468 25H 1s -0.024239 -0.042585 -0.008423 0.101785 0.064045 0.003285 25H 2s 0.327755 0.973566 -0.279384 -1.452448 -1.734633 0.567780 25H 3s -0.150607 -0.262343 -0.015293 0.381625 0.414179 -0.068855 25H 1pz 0.116068 -0.037995 0.178643 0.222616 0.322455 -0.108236 25H 1px 0.208832 0.435936 -0.004103 -0.518955 -0.533259 0.158159 25H 1py -0.110419 0.046731 -0.049467 -0.029662 0.114472 -0.075060 26O 1s 0.000983 0.000900 -0.000967 0.003218 -0.002639 0.000284 26O 2s 0.002893 0.004744 -0.002666 0.008729 -0.008119 0.000600 26O 3s -0.009256 -0.068461 -0.010168 -0.015602 0.021822 -0.007044 26O 4s -0.108070 0.184591 0.228677 -0.151231 0.173022 0.034553 26O 5s 0.071142 0.316836 0.108509 -0.312273 0.454606 0.482206 26O 1pz 0.056132 -0.071680 0.000761 0.105144 0.021048 -0.015708 26O 1px 0.061907 -0.000367 -0.035855 0.002646 -0.018411 0.024948 26O 1py -0.133956 -0.038713 0.104310 0.000657 0.065887 -0.051358 26O 2pz -0.069009 0.085757 0.004239 -0.116079 -0.021136 -0.024959 26O 2px -0.032131 -0.147006 -0.087710 0.144135 -0.154893 -0.104974 26O 2py 0.180132 -0.008770 -0.195351 0.075461 -0.162583 0.026454 26O 3pz 0.101952 0.018136 0.035279 -0.024487 0.106565 -0.024520 26O 3px 0.201798 0.001668 -0.176872 -0.123502 -0.104738 -0.208801 26O 3py -0.072509 -0.074990 0.209605 -0.160211 0.063770 -0.178626 26O 1dz2 0.000456 0.001581 -0.000803 -0.001099 0.000556 0.000164 26O 1dxz 0.000655 -0.000012 -0.000853 -0.000951 0.002026 -0.000791 26O 1dyz -0.000784 -0.001156 0.005954 0.000359 0.005530 -0.000414 26O 1dx2y2 0.002013 -0.001989 -0.001731 0.005693 -0.003077 0.004148 26O 1dxy -0.000521 -0.001430 0.000740 0.004169 0.002217 0.000909 26O 2dz2 0.040106 0.063870 -0.034344 -0.027192 -0.045944 -0.017199 26O 2dxz -0.043372 -0.009821 -0.016831 -0.019657 -0.063743 0.060664 26O 2dyz 0.037011 0.071857 0.005834 -0.029019 -0.017317 0.017122 26O 2dx2y2 -0.078175 -0.020180 0.076992 0.044122 0.050094 0.034811 26O 2dxy 0.050931 0.030999 -0.053564 0.040002 0.018207 0.047792 26O 1f0 -0.002937 -0.003904 0.001941 0.000056 -0.001300 0.000399 26O 1f+1 0.002838 0.012968 0.003747 -0.005240 0.001560 0.000998 26O 1f-1 -0.005147 -0.001745 0.001604 -0.002638 -0.003031 -0.000312 26O 1f+2 -0.000733 0.001434 0.004929 -0.001869 0.005961 -0.000314 26O 1f-2 0.002835 0.003903 -0.003081 -0.000803 -0.002879 -0.000000 26O 1f+3 0.001669 0.007315 -0.001950 -0.002436 0.001257 0.001510 26O 1f-3 0.003125 0.011170 0.002314 -0.006644 0.003680 0.003722 27O 1s 0.002398 -0.000983 -0.001361 0.003248 -0.002135 0.001308 27O 2s 0.006719 -0.003726 -0.003317 0.008754 -0.005781 0.004063 27O 3s -0.017268 0.033929 -0.016960 -0.011896 0.002641 -0.008341 27O 4s -0.062910 0.022733 0.347090 -0.138113 0.250624 -0.103078 27O 5s -0.155373 -0.100880 -0.089082 -0.767396 -0.199104 -0.696869 27O 1pz -0.109210 0.107494 0.161258 0.026466 0.088630 -0.000132 27O 1px 0.004009 0.004890 -0.003167 -0.002145 0.007929 -0.006075 27O 1py -0.116621 -0.027845 0.059986 -0.113565 -0.003497 0.021349 27O 2pz 0.118772 -0.128980 -0.182967 -0.033721 -0.095843 -0.011955 27O 2px 0.053618 0.028912 -0.158334 0.212111 -0.148907 0.145899 27O 2py 0.170087 0.033093 -0.052348 0.089694 -0.000114 -0.063144 27O 3pz -0.119449 0.126091 0.159601 -0.021606 0.057029 -0.015208 27O 3px 0.021484 -0.158669 -0.094066 0.037758 0.224399 0.308132 27O 3py -0.224977 0.046071 0.172922 0.048211 -0.099684 -0.016878 27O 1dz2 -0.000919 -0.000288 0.001006 -0.003056 0.001555 0.001888 27O 1dxz 0.000141 0.000049 0.001591 -0.002068 0.004060 0.001447 27O 1dyz 0.001758 -0.000658 -0.005140 -0.000224 -0.002526 0.001176 27O 1dx2y2 -0.002948 0.000938 -0.000671 0.003745 -0.002465 -0.000552 27O 1dxy -0.002096 0.000655 -0.001407 -0.001556 -0.003570 -0.000286 27O 2dz2 0.008171 0.020927 0.020335 0.001084 0.026695 0.045424 27O 2dxz 0.042709 -0.073618 -0.123313 -0.041585 -0.050084 0.014480 27O 2dyz 0.034820 0.106206 0.060577 0.052054 0.027425 -0.016618 27O 2dx2y2 0.006897 0.058336 0.039170 0.034644 0.038591 -0.055684 27O 2dxy 0.085287 -0.008250 -0.041364 0.037472 0.078786 0.044433 27O 1f0 0.000830 -0.002868 -0.000206 0.001471 0.002893 0.001617 27O 1f+1 -0.000715 -0.006644 0.000983 -0.008764 0.003475 -0.003003 27O 1f-1 -0.001769 -0.002825 -0.001040 -0.000214 -0.001886 -0.000350 27O 1f+2 0.003069 -0.008928 -0.003659 -0.003740 -0.000142 -0.002459 27O 1f-2 0.002992 0.003066 0.002405 0.000834 0.005146 -0.001337 27O 1f+3 -0.009334 -0.010371 0.001212 -0.009451 -0.001085 -0.003707 27O 1f-3 0.002424 -0.001582 -0.002055 0.001554 0.003851 -0.001152 28O 1s 0.000571 -0.001396 0.000034 0.002483 0.000298 -0.000520 28O 2s 0.003551 -0.003194 -0.001862 0.008727 -0.000867 -0.000686 28O 3s -0.057036 -0.013670 0.038866 -0.052693 0.024568 -0.007206 28O 4s 0.244842 0.092507 -0.225885 0.096928 -0.189863 0.119820 28O 5s 0.018248 0.190029 0.191782 -0.628080 0.654826 -0.862067 28O 1pz -0.043314 -0.080194 0.005518 0.053213 -0.056532 0.023284 28O 1px 0.020085 0.007082 -0.051853 0.020110 -0.061827 0.026749 28O 1py 0.053712 -0.009682 -0.100757 0.033183 -0.073783 0.005676 28O 2pz 0.009187 0.071320 -0.024961 0.023746 0.024689 -0.017088 28O 2px 0.076373 0.081566 0.000688 -0.071804 0.043542 -0.055795 28O 2py -0.055951 0.023462 0.110970 -0.016184 0.065831 -0.007182 28O 3pz -0.220079 -0.206384 0.091491 0.095036 -0.454329 0.432180 28O 3px 0.182421 0.062025 -0.139174 -0.128020 0.166380 -0.303241 28O 3py 0.091575 -0.012521 -0.175555 0.046192 -0.202469 0.050789 28O 1dz2 -0.001242 -0.002843 0.003883 -0.001959 0.002668 0.001260 28O 1dxz -0.000624 -0.001860 0.001504 -0.001664 0.000124 0.002636 28O 1dyz -0.001461 0.000885 0.002523 -0.005414 0.002342 0.001298 28O 1dx2y2 0.002149 0.003452 -0.000648 0.000331 0.000981 -0.004167 28O 1dxy 0.001126 0.002608 -0.001327 -0.000785 0.000377 -0.000372 28O 2dz2 0.012675 0.058989 0.059868 -0.109143 0.153505 -0.060103 28O 2dxz -0.068998 -0.063338 0.039442 0.035410 -0.039530 0.090585 28O 2dyz -0.032374 0.103425 0.094754 -0.118720 0.094321 -0.028234 28O 2dx2y2 0.055723 0.032890 -0.066136 0.037643 -0.063498 -0.029474 28O 2dxy 0.059765 0.034878 -0.077163 0.027169 -0.059405 0.030358 28O 1f0 0.002595 0.007949 -0.004977 -0.000830 0.000859 -0.004670 28O 1f+1 0.001138 0.002733 0.005173 -0.004236 0.009585 -0.000947 28O 1f-1 0.002216 0.005083 -0.001328 -0.001818 0.001187 -0.002841 28O 1f+2 -0.005605 -0.009010 0.000533 0.003738 -0.003455 0.003498 28O 1f-2 -0.000017 -0.002367 0.000701 0.000480 0.002626 0.001303 28O 1f+3 -0.001758 -0.002954 -0.000324 0.001580 0.002127 0.000232 28O 1f-3 0.000881 0.004893 -0.000208 -0.000975 0.000466 0.001345 29O 1s -0.000408 0.000095 0.003097 0.001982 0.008922 -0.002775 29O 2s -0.001184 0.000245 0.010534 0.005174 0.026450 -0.008433 29O 3s 0.002641 -0.000218 -0.072017 -0.004482 -0.082320 0.031325 29O 4s 0.003703 0.006649 0.099240 -0.058152 -0.160601 0.020042 29O 5s 0.042974 -0.055446 0.022816 -0.062181 0.084807 0.039016 29O 1pz -0.036629 -0.120999 0.115928 0.103738 0.134100 0.471330 29O 1px -0.039463 -0.038716 -0.099674 -0.164960 -0.116115 0.239498 29O 1py -0.007225 0.019008 -0.042570 0.005816 -0.035671 -0.040975 29O 2pz -0.026012 0.090068 -0.073309 0.000820 0.026574 0.241068 29O 2px 0.036569 0.019275 0.203315 0.267593 0.156347 0.019311 29O 2py 0.010095 -0.013353 0.031269 0.020297 0.159162 -0.059891 29O 3pz -0.075081 -0.122803 0.115755 0.128999 0.228664 0.846112 29O 3px -0.031942 -0.072570 -0.151990 -0.123134 -0.229126 0.403059 29O 3py -0.045348 0.047180 -0.046902 -0.012143 0.008967 -0.106677 29O 1dz2 -0.001187 -0.000289 0.001266 0.002251 0.005252 0.015260 29O 1dxz 0.000788 0.001397 -0.001826 -0.002066 -0.000589 -0.016130 29O 1dyz -0.001481 -0.000101 0.002221 0.003672 0.004992 0.019729 29O 1dx2y2 0.000757 0.001224 0.001549 0.001358 -0.001767 -0.004993 29O 1dxy 0.000229 -0.000811 0.001805 0.001204 -0.000720 0.010655 29O 2dz2 0.010471 0.076939 -0.058897 -0.121047 -0.134794 -0.222265 29O 2dxz -0.025320 -0.013554 -0.010398 -0.059551 -0.053951 0.244202 29O 2dyz 0.043541 0.053901 -0.051323 -0.035445 -0.079279 -0.506569 29O 2dx2y2 0.004202 0.003416 0.078321 0.050954 0.064378 0.033823 29O 2dxy 0.014638 0.059445 -0.018450 -0.035225 -0.024675 -0.214425 29O 1f0 -0.001309 -0.000978 -0.000866 0.003830 0.011315 0.001900 29O 1f+1 -0.000640 -0.000537 0.000671 -0.001192 -0.003422 0.007611 29O 1f-1 -0.003841 -0.002384 -0.001958 0.004927 0.015804 0.027505 29O 1f+2 0.000472 0.000822 -0.002159 -0.005921 -0.006181 -0.011867 29O 1f-2 0.002874 0.004244 -0.007398 -0.007799 -0.002304 -0.043426 29O 1f+3 -0.001830 -0.000068 -0.000719 -0.002567 0.000289 0.013246 29O 1f-3 -0.002274 -0.000257 0.002245 0.001178 0.000597 0.020306 30O 1s 0.000066 0.000895 0.001102 0.003408 0.001268 -0.000066 30O 2s -0.000173 0.000249 0.001728 0.011175 0.002294 -0.000277 30O 3s 0.010911 0.055398 0.024841 -0.054584 0.007678 -0.005857 30O 4s -0.020970 -0.299848 -0.290535 0.050290 -0.185883 0.064018 30O 5s -0.182611 -0.117569 0.614408 -0.780991 0.725141 0.418237 30O 1pz 0.061887 -0.042603 -0.127561 0.029851 -0.091129 0.036830 30O 1px 0.054794 -0.056191 -0.113278 0.022090 -0.092922 0.034012 30O 1py -0.017297 -0.098729 -0.035257 -0.063937 0.018238 -0.006711 30O 2pz -0.040466 0.105326 0.147110 0.040953 0.099231 -0.079259 30O 2px -0.109281 -0.083734 0.065290 -0.109392 0.073771 0.023478 30O 2py -0.039999 0.083837 0.092757 -0.022576 0.027917 0.030588 30O 3pz 0.103358 0.105717 -0.124392 0.058011 -0.293038 -0.107223 30O 3px 0.039333 -0.214257 -0.125009 -0.174725 0.110418 0.290131 30O 3py 0.165728 -0.271056 -0.233183 -0.123690 0.332203 0.203269 30O 1dz2 -0.000865 0.000938 -0.001299 0.000530 -0.003012 -0.001567 30O 1dxz -0.001568 0.002403 0.001509 -0.001779 -0.001389 -0.003770 30O 1dyz 0.000176 -0.000882 -0.002113 0.004863 -0.001580 -0.000920 30O 1dx2y2 0.002219 -0.006107 -0.005670 0.000874 -0.001384 0.003568 30O 1dxy 0.002578 0.000909 -0.001376 0.002733 0.000341 0.002449 30O 2dz2 -0.024700 0.085335 0.085195 0.021382 0.021367 -0.037628 30O 2dxz 0.010256 0.039341 0.001300 -0.008487 -0.003552 -0.058351 30O 2dyz 0.055789 0.074673 -0.125798 0.159359 -0.128914 -0.002073 30O 2dx2y2 0.046940 -0.039404 -0.153984 0.095707 -0.176025 0.065374 30O 2dxy 0.071462 -0.053555 -0.079573 -0.019513 0.031771 0.065353 30O 1f0 -0.005545 -0.001557 0.005164 -0.002307 0.000627 0.000812 30O 1f+1 0.000794 -0.002181 0.000953 -0.000387 0.000172 -0.000271 30O 1f-1 0.001384 0.003245 0.001291 0.000691 0.001829 -0.000030 30O 1f+2 0.001368 0.007910 0.003948 0.002946 0.001633 -0.002350 30O 1f-2 0.001352 0.007561 0.000900 0.005134 -0.005510 -0.000652 30O 1f+3 0.002170 -0.002141 0.000456 -0.003504 0.006811 -0.002909 30O 1f-3 0.004393 0.011341 0.004694 0.005907 -0.002781 -0.003272 31O 1s -0.000056 0.000832 -0.001146 0.003340 -0.001291 0.000070 31O 2s -0.000462 0.000140 -0.001729 0.010926 -0.002409 0.000190 31O 3s 0.010644 0.053856 -0.027827 -0.052537 -0.006421 0.007205 31O 4s -0.006472 -0.281325 0.303010 0.043817 0.180837 -0.073695 31O 5s -0.232880 -0.149410 -0.599343 -0.768855 -0.722767 -0.340406 31O 1pz -0.071228 0.034911 -0.123076 -0.028694 -0.087725 0.049344 31O 1px -0.061311 0.050788 -0.110567 -0.020504 -0.091378 0.036474 31O 1py 0.011885 0.096616 -0.040686 0.062844 0.020810 0.000005 31O 2pz 0.049056 -0.095108 0.146336 -0.042886 0.093872 -0.093333 31O 2px 0.114075 0.084922 0.053165 0.108337 0.072943 0.016630 31O 2py 0.051687 -0.080168 0.093095 0.023324 0.024636 0.018099 31O 3pz -0.105998 -0.114310 -0.113358 -0.054117 -0.289686 -0.079415 31O 3px -0.039536 0.210716 -0.128099 0.174898 0.111337 0.266928 31O 3py -0.190043 0.261165 -0.228347 0.120942 0.331860 0.185187 31O 1dz2 -0.000820 0.001077 0.001294 0.000485 0.002954 0.001471 31O 1dxz -0.001758 0.002372 -0.001450 -0.001787 0.001348 0.003543 31O 1dyz 0.000474 -0.000872 0.002213 0.004840 0.001548 0.000381 31O 1dx2y2 0.002555 -0.005860 0.005721 0.000818 0.001392 -0.003468 31O 1dxy 0.002710 0.000915 0.001115 0.002726 -0.000272 -0.002091 31O 2dz2 -0.031255 0.081836 -0.086901 0.020941 -0.021939 0.036670 31O 2dxz 0.010279 0.040079 -0.003254 -0.008061 0.003508 0.055315 31O 2dyz 0.064891 0.081238 0.118756 0.157316 0.127616 -0.009525 31O 2dx2y2 0.054940 -0.031320 0.151694 0.093084 0.174662 -0.066484 31O 2dxy 0.077891 -0.050258 0.075489 -0.018941 -0.031484 -0.060392 31O 1f0 0.005995 0.001712 0.004606 0.002288 0.000631 0.000629 31O 1f+1 -0.000705 0.002265 0.000927 0.000379 0.000223 -0.000514 31O 1f-1 -0.001104 -0.003173 0.001583 -0.000662 0.001867 -0.000022 31O 1f+2 -0.001010 -0.007737 0.004397 -0.002977 0.001609 -0.002062 31O 1f-2 -0.001270 -0.007446 0.001252 -0.005121 -0.005613 -0.000534 31O 1f+3 -0.002324 0.002142 0.000568 0.003384 0.006840 -0.002692 31O 1f-3 -0.004046 -0.011077 0.005545 -0.005951 -0.002651 -0.003115 32O 1s -0.000113 -0.000351 -0.003192 0.001950 -0.008544 0.004237 32O 2s -0.000363 -0.001224 -0.010783 0.005138 -0.025394 0.012450 32O 3s 0.001340 0.008648 0.072037 -0.006010 0.080515 -0.035857 32O 4s -0.003143 -0.004171 -0.096426 -0.052011 0.151733 -0.060771 32O 5s 0.030049 -0.053079 -0.014105 -0.057179 -0.101269 -0.121045 32O 1pz 0.045256 0.130281 0.109341 -0.103522 0.131995 0.514220 32O 1px 0.040963 0.031597 -0.106448 0.167384 -0.112657 0.266705 32O 1py 0.001170 -0.017945 -0.037741 -0.003155 -0.040590 -0.064569 32O 2pz 0.021461 -0.091906 -0.074366 -0.000651 0.022959 0.260181 32O 2px -0.030416 -0.004718 0.206174 -0.272947 0.154774 0.035058 32O 2py -0.007186 0.013013 0.030875 -0.024526 0.162917 -0.044259 32O 3pz 0.084975 0.133513 0.106815 -0.128940 0.224393 0.922797 32O 3px 0.031616 0.065257 -0.160586 0.125591 -0.226310 0.442900 32O 3py 0.042533 -0.050046 -0.041480 0.015309 0.004848 -0.132948 32O 1dz2 -0.001136 -0.000394 -0.001106 0.002058 -0.004906 -0.015222 32O 1dxz 0.001145 0.001585 0.001680 -0.002173 0.000742 0.018654 32O 1dyz -0.001730 -0.000363 -0.002059 0.003762 -0.005041 -0.021710 32O 1dx2y2 0.000735 0.001263 -0.001612 0.001332 0.001766 0.005603 32O 1dxy 0.000056 -0.000887 -0.001662 0.001269 0.000596 -0.011805 32O 2dz2 0.007379 0.083217 0.053054 -0.118585 0.124088 0.193633 32O 2dxz -0.031535 -0.014279 0.012357 -0.056493 0.046435 -0.296002 32O 2dyz 0.049916 0.060906 0.046388 -0.040136 0.083505 0.563165 32O 2dx2y2 -0.001610 -0.001736 -0.080363 0.054350 -0.067943 -0.059632 32O 2dxy 0.017687 0.061292 0.011353 -0.035717 0.024966 0.231067 32O 1f0 0.000796 0.000797 -0.000707 -0.003325 0.009874 -0.001573 32O 1f+1 0.000935 0.000773 0.000722 0.000939 -0.003385 0.010658 32O 1f-1 0.003481 0.002357 -0.002356 -0.004568 0.015441 0.026671 32O 1f+2 -0.000486 -0.001048 -0.001888 0.005863 -0.006353 -0.011811 32O 1f-2 -0.003549 -0.004985 -0.006649 0.008201 -0.002944 -0.049716 32O 1f+3 0.001928 -0.000076 -0.001190 0.002813 0.000378 0.013234 32O 1f-3 0.002567 0.000503 0.001965 -0.001316 0.000890 0.023177 33O 1s 0.000627 -0.001447 -0.000037 0.002474 -0.000226 0.000783 33O 2s 0.003757 -0.003244 0.001609 0.008663 0.001033 0.001569 33O 3s -0.058188 -0.015023 -0.032204 -0.051806 -0.024167 0.002399 33O 4s 0.244120 0.104461 0.195338 0.093082 0.182032 -0.111377 33O 5s 0.044089 0.178573 -0.196532 -0.621700 -0.655425 0.764482 33O 1pz 0.042746 0.079409 -0.001884 -0.053164 -0.057619 0.030437 33O 1px -0.020664 -0.010415 -0.048443 -0.018607 -0.061184 0.030720 33O 1py -0.054958 0.005683 -0.094163 -0.031378 -0.073130 -0.006506 33O 2pz -0.007518 -0.071653 -0.020119 -0.021981 0.024868 -0.030573 33O 2px -0.077187 -0.081163 0.010136 0.070482 0.046841 -0.054664 33O 2py 0.060046 -0.019204 0.105305 0.014611 0.065116 0.008324 33O 3pz 0.214502 0.211747 0.057677 -0.102429 -0.457876 0.388421 33O 3px -0.190235 -0.072135 -0.116275 0.133739 0.171226 -0.258656 33O 3py -0.105029 0.001844 -0.170803 -0.047508 -0.204086 0.036901 33O 1dz2 -0.001242 -0.003057 -0.003467 -0.001871 -0.002442 -0.001008 33O 1dxz -0.000661 -0.001935 -0.001328 -0.001575 -0.000073 -0.002196 33O 1dyz -0.001419 0.000664 -0.002387 -0.005281 -0.002327 -0.001218 33O 1dx2y2 0.002023 0.003537 0.000275 0.000214 -0.000911 0.003939 33O 1dxy 0.001256 0.002722 0.001115 -0.000796 -0.000408 0.000129 33O 2dz2 0.014203 0.054383 -0.061603 -0.107339 -0.150061 0.060077 33O 2dxz -0.069782 -0.065764 -0.029263 0.036956 0.041516 -0.077261 33O 2dyz -0.030649 0.098367 -0.094450 -0.116845 -0.094584 0.023573 33O 2dx2y2 0.055703 0.037247 0.058650 0.034997 0.062929 0.025511 33O 2dxy 0.062175 0.039205 0.070475 0.027045 0.059114 -0.029095 33O 1f0 -0.002953 -0.008246 -0.004380 0.000911 0.000864 -0.004406 33O 1f+1 -0.000807 -0.002387 0.005380 0.004112 0.009467 -0.000782 33O 1f-1 -0.001871 -0.005173 -0.000737 0.001951 0.001331 -0.002756 33O 1f+2 0.005401 0.009009 -0.000448 -0.003813 -0.003740 0.003101 33O 1f-2 -0.000109 0.002439 0.000645 -0.000460 0.002778 0.001414 33O 1f+3 0.001803 0.003030 -0.000541 -0.001489 0.001990 0.000014 33O 1f-3 -0.000927 -0.004941 0.000079 0.001045 0.000650 0.001670 34O 1s 0.002442 -0.000929 0.001213 0.003138 0.002236 -0.001182 34O 2s 0.006829 -0.003634 0.002964 0.008426 0.006165 -0.003573 34O 3s -0.016106 0.035473 0.016419 -0.010554 -0.005598 0.003860 34O 4s -0.083870 0.003029 -0.339934 -0.135053 -0.243634 0.110730 34O 5s -0.145772 -0.092872 0.098511 -0.762638 0.185398 0.777939 34O 1pz 0.121116 -0.098828 0.158209 -0.028095 0.087830 0.011032 34O 1px -0.003250 -0.005818 -0.001303 0.002133 0.009293 -0.001700 34O 1py 0.123963 0.030153 0.050877 0.113195 -0.003012 0.028732 34O 2pz -0.132980 0.119670 -0.180675 0.035826 -0.095157 -0.027013 34O 2px -0.064188 -0.035066 -0.154130 -0.209350 -0.150465 0.151010 34O 2py -0.176262 -0.035836 -0.038529 -0.089481 0.000429 -0.075771 34O 3pz 0.130035 -0.121251 0.156769 0.021803 0.055426 -0.022257 34O 3px -0.021476 0.148766 -0.098386 -0.031551 0.219808 0.333868 34O 3py 0.242341 -0.034101 0.154613 -0.049430 -0.097454 -0.004874 34O 1dz2 -0.000954 -0.000374 -0.000877 -0.002999 -0.001409 -0.001544 34O 1dxz -0.000039 -0.000028 -0.001625 -0.002053 -0.004058 -0.001592 34O 1dyz 0.002105 -0.000499 0.005019 -0.000280 0.002513 -0.001272 34O 1dx2y2 -0.002781 0.000941 0.000882 0.003761 0.002511 0.000516 34O 1dxy -0.001977 0.000674 0.001553 -0.001549 0.003636 0.000364 34O 2dz2 0.005943 0.019367 -0.021155 0.001406 -0.024957 -0.045097 34O 2dxz 0.050534 -0.066902 0.122583 -0.042372 0.049146 -0.014538 34O 2dyz 0.029215 0.101936 -0.067525 0.052277 -0.027564 0.012707 34O 2dx2y2 0.006218 0.055250 -0.040854 0.036352 -0.037959 0.059252 34O 2dxy 0.090585 -0.007905 0.036041 0.038091 -0.076673 -0.047722 34O 1f0 -0.000944 0.002790 -0.000209 -0.001515 0.002873 0.001648 34O 1f+1 0.000710 0.006700 0.000606 0.008659 0.003455 -0.003516 34O 1f-1 0.001668 0.002762 -0.001276 0.000205 -0.001881 -0.000310 34O 1f+2 -0.003386 0.008797 -0.003781 0.003772 -0.000080 -0.002468 34O 1f-2 -0.002819 -0.003045 0.002879 -0.000872 0.005134 -0.001398 34O 1f+3 0.009195 0.010421 0.000013 0.009448 -0.001173 -0.004197 34O 1f-3 -0.002755 0.001571 -0.001981 -0.001604 0.003752 -0.001140 35O 1s 0.000961 0.000925 0.000759 0.003146 0.002619 -0.000527 35O 2s 0.002839 0.004808 0.001994 0.008494 0.008104 -0.001370 35O 3s -0.009091 -0.067516 0.014035 -0.014706 -0.022587 0.011270 35O 4s -0.105485 0.171709 -0.220886 -0.146957 -0.165467 -0.033610 35O 5s 0.066618 0.306162 -0.117653 -0.311453 -0.462521 -0.509034 35O 1pz -0.055487 0.071229 0.001163 -0.104195 0.023235 -0.007398 35O 1px -0.061592 -0.001508 -0.029915 -0.001881 -0.015476 0.027078 35O 1py 0.137054 0.044361 0.091851 -0.003053 0.059159 -0.064022 35O 2pz 0.069861 -0.085492 0.003333 0.115692 -0.025040 -0.035867 35O 2px 0.032269 0.141392 -0.093645 -0.141890 -0.156952 -0.109102 35O 2py -0.185143 -0.002406 -0.180014 -0.070849 -0.152893 0.043932 35O 3pz -0.095164 -0.012773 0.043106 0.022925 0.105307 -0.012020 35O 3px -0.202990 -0.011947 -0.152807 0.124547 -0.102707 -0.212464 35O 3py 0.089174 0.084371 0.202542 0.157441 0.059703 -0.187227 35O 1dz2 0.000701 0.001568 0.000662 -0.001050 -0.000668 -0.000017 35O 1dxz 0.000694 0.000020 0.000685 -0.001005 -0.002136 0.000607 35O 1dyz -0.000954 -0.001543 -0.005853 0.000539 -0.005592 0.000212 35O 1dx2y2 0.002064 -0.001914 0.001735 0.005658 0.003030 -0.004205 35O 1dxy -0.000526 -0.001499 -0.000663 0.004188 -0.002236 -0.000955 35O 2dz2 0.039317 0.065103 0.026721 -0.027770 0.044026 0.019065 35O 2dxz -0.041552 -0.009203 0.020582 -0.019348 0.061558 -0.057685 35O 2dyz 0.034026 0.071762 -0.011880 -0.028191 0.014876 -0.019227 35O 2dx2y2 -0.079392 -0.024587 -0.068199 0.044780 -0.049488 -0.038309 35O 2dxy 0.053073 0.032366 0.049085 0.039632 -0.018689 -0.047537 35O 1f0 0.002929 0.003957 0.001494 -0.000108 -0.001243 0.000265 35O 1f+1 -0.002408 -0.012806 0.004553 0.005314 0.001708 0.001020 35O 1f-1 0.005159 0.001832 0.000925 0.002607 -0.003200 -0.000379 35O 1f+2 0.001242 -0.001135 0.005106 0.001879 0.005974 -0.000288 35O 1f-2 -0.002853 -0.004164 -0.002639 0.000833 -0.002862 0.000050 35O 1f+3 -0.001963 -0.007504 -0.001536 0.002489 0.001353 0.001279 35O 1f-3 -0.003141 -0.011063 0.002873 0.006505 0.003627 0.004027 450 451 452 453 454 455 2.60985 2.61615 2.62755 2.63754 2.64541 2.64625 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s -0.000939 -0.000209 0.000206 -0.000373 -0.000650 -0.003535 0Rh 2s 0.006115 0.001979 -0.000216 0.002023 0.004245 0.023520 0Rh 3s -0.001826 -0.000031 0.001089 -0.000979 -0.001258 -0.006590 0Rh 4s -0.031771 -0.010217 0.001195 -0.010745 -0.022028 -0.122153 0Rh 5s 0.058490 0.020659 0.002005 0.020987 0.039681 0.223829 0Rh 6s -0.031545 -0.016472 -0.016202 -0.021395 -0.014877 -0.108104 0Rh 7s 0.119513 -0.035548 -0.142972 0.246250 -0.006968 0.160190 0Rh 8s -0.253116 0.120026 0.500101 -0.805351 -0.067190 0.313045 0Rh 1pz -0.003757 -0.000707 -0.004664 -0.001647 -0.000182 -0.013365 0Rh 1px 0.000909 0.000823 0.001333 -0.001551 -0.003900 -0.002075 0Rh 1py -0.010689 -0.001423 0.005038 0.004753 0.014015 0.004758 0Rh 2pz 0.013598 0.002533 0.016955 0.005831 0.000667 0.048466 0Rh 2px -0.003351 -0.003061 -0.004837 0.005625 0.014032 0.007528 0Rh 2py 0.038976 0.005204 -0.018156 -0.017158 -0.050846 -0.016975 0Rh 3pz -0.014879 -0.002007 -0.020334 -0.003518 -0.001464 -0.054952 0Rh 3px 0.005074 0.004971 0.004966 -0.006274 -0.013764 -0.009119 0Rh 3py -0.048949 -0.007013 0.018184 0.018954 0.058754 0.013240 0Rh 4pz -0.035509 -0.011192 -0.034272 -0.028214 0.005262 -0.116051 0Rh 4px 0.002097 0.001124 0.017061 -0.014360 -0.041648 -0.012397 0Rh 4py -0.073679 -0.006927 0.054684 0.035240 0.113270 0.067241 0Rh 5pz 0.066765 0.031741 0.048265 0.057993 -0.025600 0.196841 0Rh 5px -0.000326 0.004188 -0.036981 0.025716 0.070726 0.003986 0Rh 5py 0.127954 0.005641 -0.112487 -0.013986 -0.183425 -0.127347 0Rh 6pz 0.030546 -0.243760 0.396187 -0.079748 -0.072952 0.639954 0Rh 6px -0.124378 -0.164408 -0.037675 -0.014618 0.031820 0.315540 0Rh 6py 0.268974 0.264725 0.534200 -0.944489 -0.409906 -0.028352 0Rh 1dz2 0.007605 -0.000998 0.001151 -0.006478 -0.004856 0.008855 0Rh 1dxz 0.003144 0.006152 -0.000598 -0.000106 0.000564 -0.000126 0Rh 1dyz 0.005344 0.006303 -0.001128 -0.003948 -0.013345 0.001715 0Rh 1dx2y2 0.004832 0.000922 -0.005268 -0.006114 -0.004798 -0.007346 0Rh 1dxy -0.007323 -0.002518 -0.013656 0.005843 0.003619 -0.002586 0Rh 2dz2 -0.001530 0.000502 0.000097 0.001385 -0.001919 0.001888 0Rh 2dxz 0.001324 0.001947 -0.000881 0.001091 -0.000069 0.001864 0Rh 2dyz -0.005406 0.002801 -0.000600 0.002489 0.000131 -0.000690 0Rh 2dx2y2 -0.001603 0.001689 0.001093 -0.001848 -0.001779 -0.003667 0Rh 2dxy -0.003017 0.000735 -0.001779 0.002019 -0.000152 -0.002441 0Rh 3dz2 -0.014768 0.000567 -0.003553 0.012165 0.022254 -0.033997 0Rh 3dxz -0.015069 -0.026203 0.005755 -0.004769 -0.001479 -0.008095 0Rh 3dyz 0.009623 -0.030993 0.005950 -0.000245 0.037891 -0.001698 0Rh 3dx2y2 -0.006430 -0.010156 0.010248 0.026104 0.021512 0.037776 0Rh 3dxy 0.034772 0.003779 0.047216 -0.025864 -0.009642 0.018512 0Rh 4dz2 -0.022143 0.007771 -0.001258 0.022762 -0.023452 0.030849 0Rh 4dxz 0.022876 0.027740 -0.014371 0.019330 0.001658 0.029181 0Rh 4dyz -0.086701 0.049339 -0.009912 0.041510 -0.002276 -0.011251 0Rh 4dx2y2 -0.026213 0.024371 0.014523 -0.033435 -0.022968 -0.059137 0Rh 4dxy -0.050044 0.012212 -0.030306 0.031118 -0.002338 -0.038551 0Rh 5dz2 0.134890 -0.039682 0.038187 -0.156556 -0.010093 -0.018285 0Rh 5dxz -0.067681 -0.021403 0.053494 -0.091606 -0.012258 -0.078702 0Rh 5dyz 0.364339 -0.162090 0.044914 -0.204711 -0.099582 0.057410 0Rh 5dx2y2 0.144319 -0.071454 -0.086234 0.103846 0.003257 0.114478 0Rh 5dxy 0.121559 -0.077363 -0.012529 -0.050171 0.038707 0.108516 0Rh 1f0 0.077521 0.001794 -0.039115 -0.083020 -0.098230 -0.063546 0Rh 1f+1 0.031647 0.069797 -0.010794 0.005304 0.000588 0.071201 0Rh 1f-1 0.141532 -0.008063 0.028830 -0.083646 -0.085040 0.119013 0Rh 1f+2 0.000268 -0.029467 -0.013330 -0.046408 -0.076153 -0.163162 0Rh 1f-2 0.104370 0.052669 -0.065905 -0.076179 -0.115919 -0.059686 0Rh 1f+3 -0.044326 0.017014 0.067215 0.067626 0.072340 0.147180 0Rh 1f-3 0.088801 -0.034952 -0.016012 -0.031775 -0.031959 -0.033944 1Rh 1s 0.000900 -0.000118 0.000377 0.000405 -0.000236 0.003493 1Rh 2s -0.005919 0.001400 -0.001378 -0.002135 0.001498 -0.023405 1Rh 3s 0.001720 0.000157 0.001389 0.001100 -0.000484 0.006412 1Rh 4s 0.030755 -0.007213 0.007219 0.011324 -0.007774 0.121557 1Rh 5s -0.056921 0.015278 -0.009044 -0.021571 0.013705 -0.223498 1Rh 6s 0.032027 -0.014208 -0.010948 0.019659 -0.003034 0.111093 1Rh 7s -0.122483 -0.039783 -0.145438 -0.241144 -0.015237 -0.170570 1Rh 8s 0.246399 0.126001 0.448612 0.821211 -0.133076 -0.328767 1Rh 1pz -0.003928 0.000598 0.003817 -0.001557 -0.001333 -0.012949 1Rh 1px 0.000932 -0.000818 -0.001434 -0.001573 0.003732 -0.002149 1Rh 1py -0.010600 0.001912 -0.005391 0.003962 -0.013279 0.006786 1Rh 2pz 0.014214 -0.002153 -0.013892 0.005500 0.004828 0.046951 1Rh 2px -0.003425 0.003044 0.005193 0.005690 -0.013416 0.007810 1Rh 2py 0.038659 -0.006984 0.019454 -0.014291 0.048199 -0.024325 1Rh 3pz -0.015509 0.002020 0.017132 -0.002949 -0.004783 -0.053200 1Rh 3px 0.004988 -0.004933 -0.005188 -0.006023 0.012808 -0.009792 1Rh 3py -0.048717 0.009131 -0.020091 0.015762 -0.056283 0.021589 1Rh 4pz -0.037202 0.007883 0.025637 -0.028328 -0.018317 -0.112244 1Rh 4px 0.003045 -0.001173 -0.018659 -0.016075 0.041740 -0.011268 1Rh 4py -0.072381 0.010743 -0.055557 0.028243 -0.104303 0.084233 1Rh 5pz 0.069185 -0.022497 -0.032277 0.058954 0.047616 0.188574 1Rh 5px -0.002395 -0.004010 0.040218 0.029605 -0.073675 0.000571 1Rh 5py 0.125334 -0.012304 0.111277 -0.001611 0.165097 -0.155609 1Rh 6pz 0.047055 0.192365 -0.388488 -0.114591 0.149834 0.641476 1Rh 6px -0.119997 0.166757 0.019061 -0.029591 0.021545 0.326866 1Rh 6py 0.283458 -0.275881 -0.469273 -0.943355 0.433523 -0.051020 1Rh 1dz2 -0.007628 -0.000344 0.000039 0.005954 -0.006496 -0.007936 1Rh 1dxz -0.002672 0.006039 -0.000596 0.000421 0.000459 -0.000075 1Rh 1dyz -0.004999 0.006262 -0.001555 0.002964 -0.013965 0.000362 1Rh 1dx2y2 -0.004426 0.001607 -0.005495 0.005705 -0.004424 0.008294 1Rh 1dxy 0.007749 -0.002898 -0.013201 -0.006510 0.003637 0.003107 1Rh 2dz2 0.001599 0.000428 0.000117 -0.001511 -0.001975 -0.001596 1Rh 2dxz -0.001170 0.001769 -0.000986 -0.001140 -0.000296 -0.001774 1Rh 2dyz 0.005632 0.002407 -0.000330 -0.002510 0.000621 0.000629 1Rh 2dx2y2 0.001663 0.001749 0.001232 0.001858 -0.001335 0.003725 1Rh 2dxy 0.003105 0.000641 -0.001518 -0.002101 0.000348 0.002500 1Rh 3dz2 0.014510 -0.000949 -0.000460 -0.010104 0.027211 0.030083 1Rh 3dxz 0.013034 -0.025087 0.006230 0.004086 -0.000148 0.008275 1Rh 3dyz -0.011644 -0.029048 0.005928 0.003175 0.037392 -0.004010 1Rh 3dx2y2 0.005006 -0.012390 0.010273 -0.024983 0.018425 -0.040732 1Rh 3dxy -0.036397 0.005310 0.044719 0.028150 -0.011963 -0.020288 1Rh 4dz2 0.023322 0.006417 -0.001142 -0.024572 -0.024526 -0.027028 1Rh 4dxz -0.020615 0.025118 -0.016083 -0.020025 -0.001851 -0.027983 1Rh 4dyz 0.090496 0.042579 -0.005609 -0.042275 0.005844 0.010928 1Rh 4dx2y2 0.027125 0.025424 0.016530 0.033651 -0.016077 0.059674 1Rh 4dxy 0.051607 0.010433 -0.026097 -0.032551 0.005468 0.039661 1Rh 5dz2 -0.140470 -0.028646 0.027409 0.157165 -0.023262 0.018459 1Rh 5dxz 0.065079 -0.014294 0.059819 0.097422 -0.004874 0.073433 1Rh 5dyz -0.377658 -0.134311 0.024247 0.201795 -0.138425 -0.040003 1Rh 5dx2y2 -0.143929 -0.068074 -0.093009 -0.109051 -0.012328 -0.104676 1Rh 5dxy -0.124592 -0.072732 -0.024151 0.049285 0.011357 -0.107093 1Rh 1f0 0.077110 -0.004956 0.042746 -0.078490 0.091819 -0.076067 1Rh 1f+1 0.028128 -0.064867 0.016689 0.008013 0.006767 0.068964 1Rh 1f-1 0.144138 0.000387 -0.014666 -0.081384 0.100373 0.102932 1Rh 1f+2 0.001996 0.026609 0.007726 -0.045252 0.057630 -0.166881 1Rh 1f-2 0.100525 -0.056601 0.071564 -0.066011 0.106280 -0.077962 1Rh 1f+3 -0.043584 -0.012032 -0.065031 0.062475 -0.054231 0.155929 1Rh 1f-3 0.090187 0.028595 0.019617 -0.031347 0.028130 -0.038481 2C 1s 0.001401 0.000080 -0.000656 -0.000776 0.000120 0.003280 2C 2s 0.005934 -0.000209 -0.000769 -0.001894 0.001420 0.010117 2C 3s 0.135404 -0.135105 0.049688 -0.028756 0.172525 0.134128 2C 4s -1.198891 0.722814 -0.214968 0.320825 -1.109247 -1.307959 2C 5s 0.343880 0.575368 -0.351867 -0.849841 -0.539390 0.440650 2C 1pz 0.038604 -0.044431 0.008111 -0.004135 0.060314 0.038492 2C 1px -0.066641 -0.043224 0.002358 0.001648 0.008878 -0.079644 2C 1py 0.038550 -0.030877 0.001393 -0.014799 0.033236 0.047209 2C 2pz -0.259125 0.273726 0.101164 0.066212 -0.087630 -0.851610 2C 2px -1.136368 -0.024317 -0.003231 0.528125 -0.738189 -0.229273 2C 2py -0.408172 0.272604 0.016277 0.185308 -0.664735 -0.047080 2C 3pz 0.016328 0.158453 -0.118500 -0.195227 -0.168005 -0.008831 2C 3px 0.097923 0.117734 -0.062023 -0.112628 0.008804 0.075168 2C 3py -0.026848 0.096188 -0.106619 -0.086470 -0.067873 0.024505 2C 1dz2 -0.021121 0.032554 -0.019194 -0.012877 -0.065892 -0.013113 2C 1dxz -0.067161 -0.017006 -0.011142 0.029928 -0.006249 -0.010183 2C 1dyz 0.010639 0.025790 -0.031394 -0.020644 0.018299 -0.020599 2C 1dx2y2 0.066596 -0.015763 0.018688 -0.023047 0.060118 0.003851 2C 1dxy -0.030174 0.003841 -0.006195 0.012524 -0.073346 0.054354 2C 2dz2 -0.107524 0.008021 0.042854 -0.003813 -0.060189 -0.184278 2C 2dxz 0.315588 0.179323 0.020072 -0.077339 -0.028709 0.177105 2C 2dyz -0.351263 0.020586 0.032806 0.180998 -0.208350 -0.189737 2C 2dx2y2 -0.084295 -0.009330 -0.066630 0.094136 -0.174462 0.275964 2C 2dxy 0.187714 0.073811 0.018313 -0.032001 0.154496 -0.050662 2C 1f0 -0.082370 0.024127 -0.005293 0.018059 -0.133325 0.016784 2C 1f+1 -0.021273 -0.007089 0.007230 0.014621 0.003890 -0.024556 2C 1f-1 -0.008731 0.022569 -0.010760 -0.010663 -0.011974 -0.022713 2C 1f+2 0.098309 -0.007025 0.013734 -0.016029 0.027680 0.101922 2C 1f-2 0.052356 0.026990 -0.010921 -0.008443 -0.007206 0.059914 2C 1f+3 0.035926 -0.013161 0.011701 -0.002731 -0.005226 0.050953 2C 1f-3 -0.084068 -0.022117 -0.001054 0.028768 -0.005062 -0.074846 3C 1s -0.002315 -0.000036 0.000637 0.000604 0.002365 0.002879 3C 2s -0.009091 0.000588 0.001247 0.002638 0.004734 0.009000 3C 3s -0.120431 0.138279 -0.137774 -0.042115 -0.063249 0.064529 3C 4s 1.162295 -0.739904 0.795239 -0.024866 0.227479 -0.959769 3C 5s -0.181182 -0.314254 0.833222 0.007729 1.016628 0.410828 3C 1pz -0.070235 0.015421 -0.017581 0.025966 0.006583 0.092597 3C 1px -0.001175 0.017226 -0.037134 -0.010125 -0.059866 -0.063601 3C 1py 0.024634 -0.041852 0.062369 0.016370 0.026922 0.017808 3C 2pz -0.486481 -0.131964 0.094082 0.093546 -0.155080 -0.034638 3C 2px 1.177464 -0.231915 0.848531 -0.165712 1.273759 -0.014871 3C 2py -0.554604 0.149102 -0.310166 0.201597 0.366519 0.707438 3C 3pz 0.123526 -0.053499 0.104066 0.044398 0.060278 -0.068054 3C 3px -0.060892 -0.045022 0.182182 -0.059270 0.200208 0.117634 3C 3py 0.054289 0.176438 -0.122225 -0.058792 -0.154401 -0.022652 3C 1dz2 -0.021089 0.003410 -0.023464 0.001683 -0.089656 -0.038887 3C 1dxz 0.085532 -0.033062 0.063110 -0.001713 0.119737 0.020687 3C 1dyz 0.044694 0.031949 0.010022 -0.017173 -0.003226 0.005759 3C 1dx2y2 -0.057544 0.025279 -0.026195 0.005383 -0.023127 0.018037 3C 1dxy -0.055204 0.010388 0.006963 -0.009048 0.001822 -0.006558 3C 2dz2 0.091076 0.026542 -0.035855 -0.051222 0.053563 -0.169502 3C 2dxz -0.222201 0.064620 -0.148284 -0.018483 -0.441504 -0.225933 3C 2dyz -0.495851 0.023873 -0.160533 0.096424 0.005407 0.258920 3C 2dx2y2 0.114097 0.039180 0.020170 -0.007495 0.144641 0.184737 3C 2dxy 0.066023 0.045139 -0.179035 0.025463 -0.268171 -0.134007 3C 1f0 0.054674 0.003496 -0.008729 -0.030821 -0.027643 -0.056687 3C 1f+1 0.080797 -0.009096 0.022391 -0.021226 -0.013322 -0.072899 3C 1f-1 -0.045801 -0.019934 0.021735 0.046743 0.074954 0.078706 3C 1f+2 -0.041760 0.030243 -0.035707 0.014456 -0.038099 0.017900 3C 1f-2 -0.062544 0.027876 -0.019095 -0.000375 0.002319 0.029340 3C 1f+3 0.002605 0.003815 -0.032775 0.006158 -0.050317 -0.026873 3C 1f-3 -0.093024 0.018973 -0.048252 0.036996 -0.076069 0.062193 4C 1s -0.001615 -0.000851 0.002529 0.000466 0.000634 -0.002231 4C 2s -0.003971 -0.005588 0.009095 0.001035 0.005086 -0.005940 4C 3s 0.137529 0.337740 -0.169733 -0.038856 -0.099863 0.056813 4C 4s -0.438356 -1.709235 0.516272 0.046899 0.341792 0.209507 4C 5s -0.506484 -1.099660 0.004555 0.239429 -0.126292 0.022954 4C 1pz 0.090373 0.009944 -0.047310 -0.045823 0.052780 0.110454 4C 1px 0.038384 -0.006107 0.012644 -0.012736 -0.029873 0.041219 4C 1py 0.061561 0.006833 -0.020131 -0.031688 -0.002927 0.078335 4C 2pz -0.928576 -0.086743 0.192831 0.273263 -0.568458 -0.919612 4C 2px -0.154317 0.126899 0.120943 0.263090 -0.057208 -0.189266 4C 2py -0.556930 -0.022297 0.139032 0.250461 -0.261333 -0.600094 4C 3pz -0.112562 0.202223 -0.533668 -0.618851 -0.614358 0.252569 4C 3px 0.039488 -0.035691 0.125652 0.180073 -0.225998 -0.174690 4C 3py -0.054535 0.152984 -0.246215 -0.432156 -0.597358 0.008743 4C 1dz2 -0.008774 0.006644 -0.015272 0.000324 0.020535 -0.045071 4C 1dxz -0.016716 -0.011656 -0.021217 -0.019479 0.047178 -0.038980 4C 1dyz -0.074449 0.048022 -0.032384 -0.003046 -0.074512 -0.034600 4C 1dx2y2 0.020622 -0.011662 -0.008328 -0.022464 0.102504 -0.046017 4C 1dxy -0.035853 0.033377 -0.024277 -0.001816 -0.062210 -0.020799 4C 2dz2 0.454382 -0.117082 -0.004904 -0.254559 0.332153 0.248805 4C 2dxz 0.273834 0.178929 0.005298 0.086594 -0.092292 0.578066 4C 2dyz 0.288020 -0.226434 0.027556 -0.107923 0.275038 0.326913 4C 2dx2y2 -0.465765 -0.043643 0.082458 0.128301 -0.372528 -0.390773 4C 2dxy -0.165057 -0.052526 0.040563 0.199233 -0.065403 0.086354 4C 1f0 0.025522 0.015330 -0.000432 -0.011574 -0.003933 0.019139 4C 1f+1 0.023999 0.008215 0.006323 -0.019642 -0.006732 0.011167 4C 1f-1 0.045471 -0.002885 0.002257 -0.023656 0.043724 0.016520 4C 1f+2 -0.032641 -0.022699 -0.011671 0.017573 0.007577 -0.000892 4C 1f-2 -0.022389 -0.019310 0.000414 0.047736 0.000744 0.064992 4C 1f+3 -0.016788 -0.003679 0.006378 -0.019692 -0.009612 -0.021908 4C 1f-3 0.008038 0.006847 -0.020033 0.005105 0.019490 0.022918 5C 1s 0.001768 0.001404 -0.000389 -0.004016 -0.001296 -0.004254 5C 2s 0.003167 0.007308 -0.004082 -0.013558 -0.006434 -0.014977 5C 3s -0.076787 -0.344190 0.216246 0.282492 0.039257 0.329238 5C 4s 0.192453 1.673740 -1.090624 -0.922698 0.242685 -0.914965 5C 5s 0.223848 0.809445 -0.841346 0.057503 0.093864 -0.417666 5C 1pz -0.037462 0.002443 -0.005353 0.035040 0.035166 0.068169 5C 1px -0.041327 -0.046699 -0.021400 0.021162 0.038080 0.074247 5C 1py 0.077584 0.003082 0.003960 -0.060009 -0.032204 -0.134112 5C 2pz 0.390911 0.022267 0.114345 -0.329057 -0.111436 -0.490522 5C 2px 0.456208 0.194073 0.230590 0.184322 0.077641 -0.536427 5C 2py -0.779401 -0.056569 -0.192005 0.467247 0.014201 0.997663 5C 3pz -0.071098 -0.137287 0.278752 -0.096427 0.714000 0.071373 5C 3px 0.049102 -0.156065 -0.160814 0.404322 -0.060247 -0.367136 5C 3py 0.025794 0.151958 -0.472546 -0.191812 -0.871616 -0.004465 5C 1dz2 -0.036397 0.017959 -0.032849 0.020608 0.046497 0.002232 5C 1dxz 0.021481 -0.015331 0.055278 -0.024271 0.111420 0.010458 5C 1dyz -0.048129 0.063110 -0.028548 -0.013683 -0.079997 0.049680 5C 1dx2y2 -0.041551 0.004206 -0.009225 -0.016176 0.027424 -0.008492 5C 1dxy -0.028049 0.012419 0.003071 0.021674 0.006952 0.023698 5C 2dz2 -0.173806 -0.107432 -0.016723 0.090576 -0.295998 0.077783 5C 2dxz -0.148704 -0.014773 0.022723 0.184103 0.207114 0.493563 5C 2dyz 0.326741 -0.227419 0.392840 0.055941 0.389135 0.063397 5C 2dx2y2 0.691832 0.050515 0.369800 -0.240857 0.408997 -0.539944 5C 2dxy -0.007385 -0.030384 -0.215051 -0.205496 -0.590007 -0.515483 5C 1f0 -0.001391 -0.008490 0.013494 0.015971 0.014039 -0.013453 5C 1f+1 -0.030380 -0.001869 0.003094 0.020983 -0.013320 -0.018430 5C 1f-1 0.025810 0.010536 0.032921 0.017140 0.047000 0.038265 5C 1f+2 0.068305 -0.011744 -0.000357 -0.041487 0.051043 0.011891 5C 1f-2 -0.004717 0.020619 -0.009178 -0.012001 -0.056769 -0.040419 5C 1f+3 -0.021355 -0.005345 -0.004605 0.021934 -0.043628 0.041226 5C 1f-3 0.027724 0.008396 -0.004080 0.001826 0.010820 -0.039629 6C 1s -0.001668 0.001488 -0.000316 0.003847 -0.000904 0.004395 6C 2s -0.002591 0.007514 -0.003681 0.012710 -0.005077 0.015877 6C 3s 0.051224 -0.350749 0.203677 -0.255418 0.009775 -0.347134 6C 4s -0.072365 1.695381 -1.025259 0.797887 0.312798 0.967153 6C 5s -0.162050 0.828632 -0.807818 -0.125994 0.152225 0.446372 6C 1pz -0.037949 -0.000154 0.004701 0.034666 -0.027167 0.070586 6C 1px -0.039376 0.046965 0.019941 0.021882 -0.028432 0.074892 6C 1py 0.077088 -0.006526 -0.002452 -0.060687 0.016383 -0.133936 6C 2pz 0.398756 -0.061425 -0.112307 -0.330866 0.055797 -0.485996 6C 2px 0.446136 -0.144759 -0.207854 0.146034 -0.156982 -0.491767 6C 2py -0.785729 0.102717 0.182999 0.485994 0.104596 0.958772 6C 3pz -0.046101 0.110395 -0.299567 -0.145361 -0.690000 0.189266 6C 3px 0.056759 0.172755 0.130158 0.381299 -0.004559 -0.360101 6C 3py -0.012022 -0.132320 0.518166 -0.119346 0.858852 -0.157137 6C 1dz2 0.037883 0.014467 -0.031059 -0.020936 0.046307 -0.005847 6C 1dxz -0.023606 -0.011714 0.054175 0.030131 0.106629 -0.024028 6C 1dyz 0.052812 0.061433 -0.029062 0.005758 -0.087396 -0.035499 6C 1dx2y2 0.041803 0.004703 -0.006561 0.015776 0.025589 0.006951 6C 1dxy 0.029547 0.006513 0.002286 -0.021494 0.003691 -0.022205 6C 2dz2 0.166713 -0.106850 -0.007707 -0.099321 -0.296017 -0.043586 6C 2dxz 0.152424 -0.035097 0.009359 -0.182842 0.141747 -0.506737 6C 2dyz -0.348964 -0.229467 0.368406 -0.011147 0.377478 -0.132142 6C 2dx2y2 -0.697864 0.065806 0.348419 0.282823 0.463917 0.455658 6C 2dxy 0.004006 -0.001794 -0.197331 0.183435 -0.508194 0.572511 6C 1f0 -0.000347 0.009690 -0.014606 0.014267 -0.017015 -0.009962 6C 1f+1 -0.029829 0.003723 -0.005043 0.021149 0.011180 -0.018412 6C 1f-1 0.026259 -0.010151 -0.032496 0.015602 -0.040185 0.042205 6C 1f+2 0.069057 0.006263 0.003200 -0.042677 -0.048371 0.017658 6C 1f-2 -0.005848 -0.020676 0.007940 -0.010129 0.049578 -0.046833 6C 1f+3 -0.019837 0.005428 0.001924 0.024726 0.046291 0.034926 6C 1f-3 0.027946 -0.011190 0.001844 0.002471 -0.016303 -0.038170 7C 1s 0.001441 -0.000922 0.002800 -0.000194 0.000888 0.001877 7C 2s 0.003142 -0.005722 0.009887 0.000158 0.005780 0.004265 7C 3s -0.108528 0.344226 -0.186482 0.010713 -0.106334 -0.032720 7C 4s 0.316324 -1.737524 0.552821 0.055514 0.310937 -0.257919 7C 5s 0.449817 -1.125027 0.043679 -0.203545 -0.135336 -0.001615 7C 1pz 0.086710 -0.012847 0.058576 -0.043173 -0.039895 0.110232 7C 1px 0.039664 0.008858 -0.007918 -0.010447 0.035322 0.036620 7C 1py 0.060826 -0.007906 0.028308 -0.028659 0.011974 0.074414 7C 2pz -0.914444 0.127156 -0.281665 0.275132 0.467602 -0.961787 7C 2px -0.161847 -0.195134 -0.174489 0.242698 0.023889 -0.184283 7C 2py -0.558826 0.020671 -0.208995 0.242712 0.193406 -0.618784 7C 3pz -0.152009 -0.235434 0.548900 -0.544860 0.648263 0.113278 7C 3px 0.038944 -0.011829 -0.164580 0.166966 0.197613 -0.174820 7C 3py -0.079850 -0.187575 0.253012 -0.389860 0.601385 -0.084745 7C 1dz2 0.009033 0.008724 -0.012535 -0.000560 0.025377 0.042486 7C 1dxz 0.017049 -0.015159 -0.022217 0.019167 0.051370 0.034315 7C 1dyz 0.079114 0.046476 -0.027802 -0.004019 -0.071076 0.046361 7C 1dx2y2 -0.020760 -0.008229 -0.008511 0.026833 0.106918 0.029644 7C 1dxy 0.036610 0.028836 -0.022413 -0.002691 -0.058363 0.030893 7C 2dz2 -0.454048 -0.105085 -0.049631 0.269827 0.290414 -0.298499 7C 2dxz -0.265724 0.186438 -0.026382 -0.100279 -0.139181 -0.532339 7C 2dyz -0.306464 -0.217237 -0.002453 0.129630 0.238462 -0.364308 7C 2dx2y2 0.460592 -0.053399 0.129235 -0.135222 -0.325031 0.436108 7C 2dxy 0.157905 -0.057455 0.059163 -0.198445 -0.063617 -0.061544 7C 1f0 0.024028 -0.018879 0.001974 -0.011849 0.004771 0.016666 7C 1f+1 0.023301 -0.007073 -0.002849 -0.018806 0.009320 0.009438 7C 1f-1 0.045380 -0.001041 0.001251 -0.026623 -0.040323 0.024873 7C 1f+2 -0.032123 0.025593 0.009684 0.018346 -0.006439 -0.002549 7C 1f-2 -0.021431 0.024679 -0.000548 0.048620 0.004903 0.061852 7C 1f+3 -0.015949 0.007165 -0.006133 -0.019329 0.006689 -0.022546 7C 1f-3 0.005836 -0.008661 0.020382 0.004755 -0.016104 0.026403 8C 1s 0.002263 -0.000074 0.000707 -0.000542 0.001968 -0.003105 8C 2s 0.009000 0.000331 0.001459 -0.002571 0.003501 -0.009343 8C 3s 0.133705 0.131464 -0.134176 0.024603 -0.074825 -0.042872 8C 4s -1.232638 -0.684033 0.763616 0.129169 0.366715 0.834398 8C 5s 0.125841 -0.312809 0.868774 0.084930 0.943750 -0.588431 8C 1pz -0.072035 -0.010579 0.017975 0.028339 0.005865 0.087796 8C 1px -0.001023 -0.022234 0.030781 -0.005608 0.050740 -0.073581 8C 1py 0.030136 0.040210 -0.061849 0.010678 -0.025454 0.023413 8C 2pz -0.471107 0.156998 -0.100780 0.078610 0.142306 -0.041207 8C 2px 1.228412 0.163738 -0.831678 -0.244598 -1.235946 0.147932 8C 2py -0.568666 -0.136183 0.284601 0.230179 -0.265543 0.690160 8C 3pz 0.131536 0.050470 -0.112353 0.032372 -0.071294 -0.051264 8C 3px -0.056337 0.040985 -0.178321 -0.073825 -0.172252 0.150703 8C 3py 0.036181 -0.174353 0.132195 -0.035346 0.151414 -0.054378 8C 1dz2 0.021128 0.002154 -0.022923 -0.004687 -0.081776 0.047903 8C 1dxz -0.089482 -0.026256 0.062839 0.007846 0.115326 -0.035326 8C 1dyz -0.043904 0.033360 0.010002 0.015238 -0.004621 -0.004169 8C 1dx2y2 0.059360 0.022710 -0.024613 -0.009063 -0.026856 -0.012558 8C 1dxy 0.057195 0.007538 0.006854 0.009376 -0.000158 0.007639 8C 2dz2 -0.084356 0.037877 -0.029805 0.049263 0.067592 0.164141 8C 2dxz 0.234423 0.034474 -0.157460 0.009356 -0.405012 0.263906 8C 2dyz 0.507535 -0.003015 -0.160382 -0.104714 -0.032056 -0.243350 8C 2dx2y2 -0.107311 0.038301 0.009903 0.006916 0.122028 -0.203407 8C 2dxy -0.068662 0.055751 -0.161190 -0.044019 -0.236718 0.172233 8C 1f0 0.054616 -0.006159 0.010166 -0.030317 0.019977 -0.057623 8C 1f+1 0.081674 0.001968 -0.023868 -0.021950 0.004143 -0.071527 8C 1f-1 -0.043764 0.022946 -0.023803 0.043856 -0.064708 0.083937 8C 1f+2 -0.044585 -0.027376 0.033370 0.019337 0.038933 0.010847 8C 1f-2 -0.064493 -0.024584 0.018975 0.001318 0.003584 0.025968 8C 1f+3 0.001416 -0.000780 0.034816 0.007589 0.043028 -0.030161 8C 1f-3 -0.097204 -0.009817 0.050181 0.041982 0.080488 0.052338 9C 1s -0.001328 0.000078 -0.000911 0.000697 -0.000213 -0.003071 9C 2s -0.005776 -0.000104 -0.001591 0.001856 0.000420 -0.009772 9C 3s -0.148191 -0.134650 0.037030 0.042342 0.157600 -0.159112 9C 4s 1.258876 0.707164 -0.091988 -0.395742 -0.964551 1.444284 9C 5s -0.292119 0.628641 -0.408288 0.774543 -0.595569 -0.321818 9C 1pz 0.044320 0.042712 -0.005359 -0.009252 -0.056310 0.048580 9C 1px -0.064091 0.047343 -0.008766 -0.000244 -0.016279 -0.075088 9C 1py 0.038689 0.031686 0.003612 -0.016281 -0.027995 0.048832 9C 2pz -0.267202 -0.306523 -0.160575 0.056168 -0.001376 -0.813683 9C 2px -1.122356 0.135067 -0.069133 0.574931 0.681054 -0.372835 9C 2py -0.445554 -0.244596 -0.035080 0.225387 0.650962 -0.159050 9C 3pz -0.002907 -0.174606 0.122285 -0.174874 0.170683 -0.038068 9C 3px 0.091244 -0.118011 0.079033 -0.104395 -0.005721 0.067194 9C 3py -0.031764 -0.104098 0.105674 -0.074327 0.071052 0.005247 9C 1dz2 0.022195 0.032992 -0.018041 0.008104 -0.063887 0.024161 9C 1dxz 0.066951 -0.024946 -0.007168 -0.033035 -0.006785 0.014289 9C 1dyz -0.006738 0.029173 -0.031578 0.018262 0.019203 0.019045 9C 1dx2y2 -0.067696 -0.008909 0.016129 0.028412 0.059972 -0.014923 9C 1dxy 0.029403 -0.002059 -0.007883 -0.016612 -0.076744 -0.040156 9C 2dz2 0.118222 0.006951 0.053768 0.004147 -0.042528 0.184628 9C 2dxz -0.307159 0.212612 -0.003101 0.081964 -0.038492 -0.173311 9C 2dyz 0.345377 -0.005900 0.061718 -0.188496 -0.185220 0.214714 9C 2dx2y2 0.088842 -0.051440 -0.082883 -0.117716 -0.203569 -0.224422 9C 2dxy -0.181709 0.092610 0.013337 0.034134 0.154021 0.021640 9C 1f0 -0.084792 -0.015227 0.003284 0.026202 0.132918 -0.006667 9C 1f+1 -0.021842 0.008128 -0.010687 0.014352 -0.004324 -0.022608 9C 1f-1 -0.011413 -0.024372 0.009343 -0.009016 0.010278 -0.024306 9C 1f+2 0.096658 0.002302 -0.006094 -0.018274 -0.016270 0.103582 9C 1f-2 0.050214 -0.031005 0.015710 -0.006411 0.015139 0.058181 9C 1f+3 0.038258 0.011577 -0.006924 -0.004390 0.011082 0.051173 9C 1f-3 -0.081209 0.028716 -0.007086 0.028588 -0.003308 -0.072142 10H 1s -0.115024 -0.001293 0.005432 0.022872 -0.045399 -0.138719 10H 2s 1.269386 0.071053 0.129991 -0.460551 0.748385 0.404769 10H 3s -0.400142 -0.084289 -0.050424 0.176542 -0.152549 -0.241447 10H 1pz 0.257606 -0.012582 0.018669 -0.132507 0.175677 0.069979 10H 1px -0.428649 -0.057773 -0.034947 0.117032 -0.220662 -0.174814 10H 1py 0.035497 -0.038669 0.005402 -0.033151 0.098982 -0.046648 11H 1s 0.070624 0.030877 -0.009538 -0.026200 -0.004430 0.096974 11H 2s -0.502225 -0.285550 0.119352 0.253988 0.174671 -0.529690 11H 3s 0.138849 0.070459 -0.045507 -0.045163 0.012122 0.099983 11H 1pz -0.127545 -0.066390 0.014117 0.036272 0.038029 -0.127829 11H 1px -0.012422 -0.063297 0.012066 0.039071 0.112489 -0.049681 11H 1py 0.219385 0.064305 -0.044156 -0.070666 0.048180 0.144582 12H 1s 0.003699 0.017431 -0.007685 0.001136 0.020093 -0.005641 12H 2s -0.440533 -0.120109 0.050124 0.261796 -0.575272 0.396849 12H 3s 0.031902 0.025099 -0.043521 0.002611 0.124346 -0.108787 12H 1pz 0.047658 0.034056 -0.023642 -0.005895 -0.017733 0.051741 12H 1px 0.102097 0.006894 -0.013622 -0.001547 -0.027027 0.194595 12H 1py -0.222475 -0.042011 0.011373 0.087872 -0.224155 0.104660 13H 1s 0.090912 -0.021054 0.010524 -0.040399 -0.032967 -0.153121 13H 2s -1.393523 0.259869 -0.570062 0.185684 -0.905963 0.309090 13H 3s 0.379272 -0.079218 -0.018539 0.009174 0.015915 -0.258485 13H 1pz -0.321517 0.067321 -0.190256 0.030769 -0.275049 -0.008981 13H 1px 0.362085 -0.040339 0.057532 -0.048657 0.109167 -0.216889 13H 1py 0.221410 -0.029525 0.140211 -0.074889 0.211036 -0.013613 14H 1s 0.037619 -0.002466 0.009318 -0.038563 0.030489 -0.010492 14H 2s 0.179464 -0.030057 0.357743 0.038240 0.795797 0.291228 14H 3s 0.015093 -0.013466 -0.073421 -0.023510 -0.143131 -0.103963 14H 1pz 0.164115 -0.007234 0.093355 -0.051690 0.220749 -0.080419 14H 1px -0.022874 -0.011516 0.114507 0.028029 0.264365 0.207805 14H 1py 0.034385 0.012428 -0.005336 -0.009710 -0.099721 -0.075628 15H 1s -0.060618 -0.011422 0.028703 0.050962 0.029906 0.149513 15H 2s 0.739132 0.171213 -0.005259 -0.285424 -0.198658 -0.551258 15H 3s -0.254587 -0.079918 -0.084140 0.123872 -0.059019 0.145323 15H 1pz -0.207074 -0.057919 -0.005260 0.101463 0.018412 0.184439 15H 1px -0.065206 0.018496 -0.038676 -0.000617 -0.044847 0.087112 15H 1py -0.200741 -0.043771 -0.004681 0.069727 0.052695 0.119903 16H 1s 0.023894 0.019813 0.014404 -0.051745 -0.016828 -0.024824 16H 2s 0.371331 0.871785 -1.362476 1.093741 0.482046 -0.428174 16H 3s 0.103414 0.122108 -0.156990 0.111358 0.014116 -0.151594 16H 1pz 0.217949 0.574703 -0.734525 0.526217 0.242936 -0.274508 16H 1px -0.048867 -0.040297 0.122368 -0.049414 -0.036401 0.105275 16H 1py 0.188570 0.190534 -0.440125 0.329695 0.149533 -0.117066 17H 1s -0.013766 -0.035001 0.016260 -0.047712 -0.014612 -0.032051 17H 2s 0.295515 -1.502352 -0.766811 1.043090 -0.127331 -0.117363 17H 3s -0.020899 -0.207955 -0.067027 0.112171 -0.028286 -0.157733 17H 1pz -0.037404 0.534383 0.180533 -0.291144 0.073943 0.036144 17H 1px -0.108668 0.667743 0.273772 -0.331325 0.078596 0.143711 17H 1py 0.181212 -0.584766 -0.338822 0.384693 -0.021843 -0.066480 18H 1s 0.010564 -0.032837 0.018913 0.049826 -0.013747 0.031146 18H 2s -0.337244 -1.377524 -0.680336 -1.043300 -0.068733 0.181468 18H 3s 0.013083 -0.188964 -0.044237 -0.108639 -0.004538 0.162132 18H 1pz -0.059216 -0.502696 -0.157962 -0.298806 -0.056964 0.059614 18H 1px -0.130730 -0.611181 -0.235660 -0.329019 -0.047284 0.169169 18H 1py 0.195477 0.523188 0.300186 0.375207 -0.002382 -0.085664 19H 1s -0.023235 0.018649 0.014139 0.053500 -0.017177 0.024308 19H 2s -0.295635 0.745314 -1.354594 -1.170307 0.571692 0.428838 19H 3s -0.094804 0.107171 -0.153390 -0.120689 0.034794 0.154111 19H 1pz 0.168389 -0.493756 0.722640 0.560317 -0.288808 -0.270552 19H 1px -0.047243 0.036274 -0.126663 -0.060135 0.052663 0.106801 19H 1py 0.171877 -0.168322 0.450237 0.360497 -0.180787 -0.123619 20H 1s 0.058586 -0.016467 0.028090 -0.050285 0.011413 -0.147757 20H 2s -0.730707 0.204916 -0.014348 0.275102 -0.126805 0.552116 20H 3s 0.253116 -0.090266 -0.083816 -0.125892 -0.075852 -0.128100 20H 1pz -0.205211 0.067786 0.004477 0.099747 0.004586 0.180265 20H 1px -0.067240 -0.015984 0.041924 0.004780 0.053141 0.080663 20H 1py -0.199224 0.052713 0.002863 0.066980 -0.037043 0.121767 21H 1s -0.035906 -0.002533 0.003383 0.040435 0.031299 0.002018 21H 2s -0.203499 0.005966 0.381447 -0.014124 0.726306 -0.353483 21H 3s -0.007327 -0.017303 -0.084451 0.020455 -0.127404 0.113462 21H 1pz 0.169178 -0.006445 -0.098047 -0.061415 -0.222012 -0.054679 21H 1px -0.016616 0.003963 -0.119691 0.021799 -0.227151 0.226604 21H 1py 0.036663 -0.015983 0.000321 -0.006240 0.086404 -0.086625 22H 1s -0.093849 -0.013211 0.013866 0.042595 -0.013274 0.153219 22H 2s 1.437977 0.161572 -0.574513 -0.237156 -0.926600 -0.187744 22H 3s -0.388133 -0.053718 -0.011363 -0.006352 0.054199 0.256147 22H 1pz -0.331782 -0.045357 0.187851 0.046356 0.264972 -0.042898 22H 1px 0.371649 0.014215 -0.065548 -0.055148 -0.137264 -0.198334 22H 1py 0.228494 0.016615 -0.133285 -0.087297 -0.207305 0.017183 23H 1s -0.005477 0.018297 -0.007071 -0.000408 0.020644 0.000916 23H 2s 0.439826 -0.197080 0.045121 -0.291389 -0.597557 -0.275769 23H 3s -0.036265 0.037274 -0.035708 0.004706 0.136245 0.083518 23H 1pz 0.048685 -0.037565 0.025929 -0.004107 0.021742 0.047123 23H 1px 0.101144 0.000810 0.032192 0.003473 0.044311 0.178083 23H 1py -0.219035 0.070230 -0.014871 0.098968 0.227836 0.061803 24H 1s -0.065014 0.033214 -0.019462 0.022395 -0.015859 -0.089187 24H 2s 0.464765 -0.324399 0.181838 -0.233056 0.233651 0.481905 24H 3s -0.125936 0.081918 -0.061264 0.043008 0.002565 -0.096895 24H 1pz -0.121358 0.073965 -0.027598 0.032877 -0.052511 -0.120236 24H 1px -0.006372 0.072018 -0.018066 0.034424 -0.115318 -0.032710 24H 1py 0.210389 -0.073913 0.065236 -0.066431 -0.032526 0.144125 25H 1s 0.114441 -0.004869 0.017962 -0.023905 -0.029488 0.140352 25H 2s -1.262809 0.196254 0.051949 0.520411 0.689846 -0.545545 25H 3s 0.397428 -0.112358 -0.015242 -0.186292 -0.126577 0.264535 25H 1pz 0.257621 -0.016723 -0.002531 -0.146761 -0.163978 0.104067 25H 1px -0.424948 0.092107 0.006508 0.131454 0.199650 -0.211509 25H 1py 0.034832 0.028724 -0.008173 -0.041191 -0.097240 -0.024350 26O 1s -0.002883 0.000923 0.000891 -0.000357 -0.002286 -0.001484 26O 2s -0.008063 0.002191 0.003022 -0.002208 -0.005550 -0.005260 26O 3s -0.000178 -0.004208 -0.012456 0.046306 -0.004320 0.022695 26O 4s 0.337850 -0.107220 -0.030574 -0.283571 0.235799 0.019090 26O 5s 0.493216 0.761162 -0.135944 -0.266827 0.402141 0.600278 26O 1pz -0.123566 0.032757 0.041007 -0.042645 -0.144137 -0.176526 26O 1px 0.002753 0.013833 0.015374 -0.013015 -0.096951 0.059200 26O 1py 0.001987 -0.084498 -0.055051 0.024326 0.221416 -0.086994 26O 2pz 0.072432 -0.059160 -0.059419 0.069168 0.223926 0.116131 26O 2px -0.270229 -0.061384 0.031597 0.168275 0.019247 -0.210771 26O 2py -0.151359 0.102993 0.094301 0.017240 -0.375813 0.010712 26O 3pz -0.126122 0.026244 0.134998 0.016726 -0.151622 -0.180084 26O 3px -0.049385 -0.291006 0.161995 0.074709 -0.190761 0.093432 26O 3py -0.105376 -0.194474 0.094666 0.214675 0.095933 0.025357 26O 1dz2 0.006349 -0.001254 0.001342 -0.003728 -0.003351 0.007204 26O 1dxz 0.003795 0.001102 -0.000788 -0.002232 -0.002502 0.002576 26O 1dyz 0.004546 0.002038 -0.000067 -0.001797 -0.003223 0.005008 26O 1dx2y2 -0.006602 0.003247 -0.001744 0.000364 -0.002245 -0.006664 26O 1dxy -0.002385 0.002256 -0.002943 0.001280 0.002590 -0.001455 26O 2dz2 -0.015766 -0.010864 0.003104 0.013324 -0.062892 0.050219 26O 2dxz 0.053559 0.005468 -0.008263 -0.007872 -0.011374 0.149142 26O 2dyz -0.015913 0.056904 -0.013043 0.039395 -0.045825 0.094757 26O 2dx2y2 -0.008708 0.062623 -0.022314 -0.037641 0.003373 -0.094333 26O 2dxy -0.006508 0.051090 -0.043182 0.013208 0.028741 0.033849 26O 1f0 0.000353 -0.000113 0.001081 0.004948 -0.000684 0.008550 26O 1f+1 -0.001675 0.004109 -0.003626 0.000769 -0.002806 0.002526 26O 1f-1 -0.003288 -0.001796 -0.001430 0.000304 0.005625 -0.003004 26O 1f+2 0.001160 -0.000603 -0.000255 -0.002058 0.001582 0.001459 26O 1f-2 -0.007540 0.001522 -0.001425 -0.000734 -0.001326 -0.008102 26O 1f+3 0.001111 0.002832 -0.004000 0.000149 -0.006670 0.004143 26O 1f-3 0.012422 0.003446 -0.001328 -0.007852 0.006581 0.004048 27O 1s 0.004481 -0.001097 -0.000907 -0.000211 0.000959 -0.003434 27O 2s 0.013147 -0.003772 -0.005478 -0.000620 -0.000967 -0.011852 27O 3s -0.022552 0.028114 0.076181 -0.008410 0.083946 0.057766 27O 4s -0.395183 0.021909 -0.381143 0.089069 -0.574720 -0.036341 27O 5s -0.474753 -1.036332 0.261923 0.194412 -0.083316 1.485412 27O 1pz -0.056715 0.064067 -0.051852 0.042646 -0.341616 -0.176541 27O 1px -0.032589 0.034931 0.016025 0.004797 -0.002436 0.018621 27O 1py -0.074318 0.044702 -0.000765 0.123205 -0.110165 0.148834 27O 2pz 0.069538 -0.090986 0.064816 -0.079907 0.410953 0.177133 27O 2px 0.360586 0.043417 0.094641 -0.128915 0.227805 -0.283103 27O 2py 0.002876 -0.087182 0.014985 -0.091689 0.192668 -0.026797 27O 3pz -0.004066 -0.054888 -0.135882 0.172973 -0.320240 -0.120738 27O 3px 0.171621 0.439008 -0.192541 0.223546 0.231466 -0.261971 27O 3py -0.191494 0.032370 0.105984 0.033566 0.018879 0.044960 27O 1dz2 -0.002227 -0.000223 -0.006231 0.002149 -0.002741 -0.000361 27O 1dxz -0.005259 0.002136 -0.001752 0.004604 -0.001171 0.001017 27O 1dyz 0.004045 0.000893 -0.001342 -0.005442 -0.005679 -0.006940 27O 1dx2y2 0.006726 -0.000922 0.000886 -0.007264 -0.003712 -0.008629 27O 1dxy 0.002493 -0.000932 -0.003328 -0.001131 -0.005998 -0.004579 27O 2dz2 -0.020371 0.048611 -0.078654 0.017025 0.000253 -0.044753 27O 2dxz 0.015215 0.008845 -0.002779 0.011212 0.132941 0.114748 27O 2dyz -0.059198 0.043874 -0.044802 -0.023614 -0.115274 -0.097224 27O 2dx2y2 -0.041810 -0.052668 -0.016932 -0.059079 -0.119059 -0.058700 27O 2dxy 0.001613 0.052213 -0.056003 -0.056301 -0.120243 -0.202454 27O 1f0 0.001445 0.000862 0.001060 0.001425 0.003350 0.004601 27O 1f+1 -0.007654 -0.004052 -0.002415 0.003205 -0.005288 0.015267 27O 1f-1 0.001585 -0.000238 0.002318 -0.000539 0.005772 -0.001613 27O 1f+2 -0.004862 -0.002551 0.006929 0.002121 0.011478 0.004847 27O 1f-2 -0.007190 0.001119 -0.004249 0.004015 -0.002737 0.003283 27O 1f+3 -0.001181 -0.005651 -0.002565 0.001069 -0.003381 0.001452 27O 1f-3 0.005492 0.001720 -0.001687 -0.005498 -0.001069 -0.005879 28O 1s -0.003304 -0.001529 -0.002957 -0.001899 0.001826 -0.004689 28O 2s -0.012128 -0.004179 -0.010401 -0.005400 0.003831 -0.014172 28O 3s 0.070161 0.005420 0.070091 0.019792 0.005579 0.041520 28O 4s -0.079525 0.036512 -0.094326 0.091645 -0.172079 0.287041 28O 5s 1.249096 0.901492 -0.105911 -0.149991 0.827192 0.449367 28O 1pz 0.018834 0.003345 0.043911 -0.013260 -0.006896 -0.019986 28O 1px -0.016636 0.036886 -0.010550 -0.006352 -0.038818 -0.001786 28O 1py -0.062844 -0.031466 -0.051874 0.126411 0.007579 0.099645 28O 2pz -0.212933 -0.064961 -0.031313 0.044595 -0.085507 -0.191717 28O 2px 0.125160 0.055255 -0.008945 0.034480 0.027178 0.198716 28O 2py 0.003321 0.036509 0.074244 -0.141670 -0.057690 -0.189209 28O 3pz -0.071018 -0.330475 -0.095291 -0.303085 0.093618 0.143652 28O 3px 0.295895 0.432506 0.003514 0.113688 0.111791 -0.006182 28O 3py 0.007862 -0.026749 -0.095100 0.093492 0.102273 0.259977 28O 1dz2 0.006014 -0.003800 0.000372 -0.003351 0.009734 0.000269 28O 1dxz -0.000721 -0.002149 -0.003415 -0.000494 0.003207 0.003576 28O 1dyz 0.009234 -0.000650 0.000509 -0.002314 0.002921 0.010372 28O 1dx2y2 -0.000237 0.001747 0.000460 0.001061 0.001489 -0.004981 28O 1dxy 0.003241 0.001601 -0.000204 -0.002419 0.000022 0.000827 28O 2dz2 0.160635 -0.029187 -0.017080 -0.085413 0.176965 0.005896 28O 2dxz -0.070962 -0.110108 -0.022584 -0.011792 0.021236 -0.029053 28O 2dyz 0.173762 0.034905 -0.003095 -0.105496 0.052198 0.052543 28O 2dx2y2 -0.039862 0.063572 -0.002592 0.056980 -0.013439 -0.039078 28O 2dxy -0.034692 0.008039 -0.008341 0.032574 -0.040165 0.003490 28O 1f0 0.001446 0.003139 -0.001896 0.002521 -0.000982 0.001172 28O 1f+1 0.006744 0.001748 -0.001838 -0.002021 0.005143 0.007227 28O 1f-1 -0.006907 0.001546 -0.000339 0.001980 -0.006955 -0.006570 28O 1f+2 -0.003321 -0.006260 0.002922 0.001243 0.002756 -0.003841 28O 1f-2 0.004794 0.001407 0.000213 -0.002802 0.000852 0.000400 28O 1f+3 -0.002768 -0.003087 0.000670 0.001655 0.001628 -0.005445 28O 1f-3 0.003341 0.002915 0.001244 -0.002936 -0.002652 -0.003645 29O 1s 0.005777 -0.006642 -0.010982 0.005533 -0.001196 -0.011360 29O 2s 0.014537 -0.018127 -0.023867 0.006460 -0.005944 -0.033861 29O 3s 0.018903 0.015496 -0.153979 0.241056 0.081874 0.110875 29O 4s -0.282286 0.202147 0.894044 -0.968011 -0.215503 0.104891 29O 5s -0.336845 0.395340 1.126053 -0.973418 -0.104596 0.384356 29O 1pz 0.087369 0.469052 -0.211332 0.049036 0.104093 -0.125939 29O 1px 0.056287 0.252877 0.093140 0.001477 0.069889 0.244307 29O 1py 0.233417 -0.194275 -0.522438 0.591616 0.120777 -0.007576 29O 2pz -0.007351 0.291077 -0.132603 0.126459 0.121570 0.034346 29O 2px -0.194824 0.136955 0.154233 -0.341249 -0.066420 -0.280640 29O 2py -0.147923 0.013918 0.246745 -0.380658 -0.127642 -0.158802 29O 3pz 0.121778 0.885234 -0.400024 0.149244 0.226452 -0.306247 29O 3px 0.037136 0.421529 0.145267 -0.192803 0.078945 0.259195 29O 3py 0.176049 -0.294240 -0.724335 0.875538 0.145826 -0.104861 29O 1dz2 0.003737 0.014572 -0.014791 0.009582 0.004452 -0.006493 29O 1dxz 0.002255 -0.019231 -0.002669 0.005097 -0.003358 0.001878 29O 1dyz 0.000774 0.021849 -0.008731 0.005024 0.006681 -0.001519 29O 1dx2y2 -0.002458 -0.003566 0.004283 -0.000414 -0.001779 0.002190 29O 1dxy -0.003032 0.014868 0.009196 -0.012705 -0.000213 0.001353 29O 2dz2 -0.187083 -0.144294 0.404022 -0.284029 -0.130418 0.143971 29O 2dxz -0.075014 0.323982 0.182370 -0.178588 0.019261 0.123311 29O 2dyz -0.030380 -0.554862 0.115080 0.008389 -0.112044 0.065029 29O 2dx2y2 -0.053067 0.075000 0.018309 -0.025430 -0.006724 -0.064722 29O 2dxy 0.020860 -0.263470 -0.073403 0.110658 -0.054238 -0.023251 29O 1f0 0.012602 -0.007255 -0.038637 0.035836 0.006619 -0.013495 29O 1f+1 -0.003905 0.010958 0.011883 -0.012560 -0.000768 0.004032 29O 1f-1 0.017140 0.019186 -0.053623 0.045428 0.015991 -0.014262 29O 1f+2 -0.005197 -0.009751 0.018858 -0.014473 -0.005529 0.009963 29O 1f-2 0.006745 -0.055025 -0.018363 0.030528 -0.005454 -0.002470 29O 1f+3 -0.005566 0.017793 0.009753 -0.012406 0.001160 0.002038 29O 1f-3 -0.002779 0.024996 0.004852 -0.006743 0.004070 0.003702 30O 1s 0.001667 -0.000317 -0.001683 -0.001127 -0.003097 -0.006703 30O 2s 0.007689 -0.000880 -0.002553 -0.004361 -0.004323 -0.020701 30O 3s -0.066141 0.008908 -0.033050 0.017516 -0.073939 0.072779 30O 4s 0.219738 0.012780 0.282392 0.008058 0.723850 0.295710 30O 5s -0.847764 -0.646079 0.033622 1.263727 -1.102712 0.777977 30O 1pz 0.062569 0.047187 0.115053 0.048060 0.031105 0.004306 30O 1px 0.093323 -0.010459 0.087179 -0.012952 0.110287 0.035033 30O 1py -0.024516 0.012285 0.081669 0.023710 0.016970 -0.011900 30O 2pz -0.008553 -0.033542 -0.205977 -0.183268 -0.096358 -0.216577 30O 2px -0.113087 -0.044623 0.005051 0.118185 0.080921 0.170797 30O 2py -0.086208 -0.040775 -0.104273 0.095295 0.008808 0.272133 30O 3pz -0.020987 0.231910 0.015238 -0.021983 0.107914 0.019397 30O 3px -0.018597 -0.274118 0.293592 0.372142 -0.063362 0.223121 30O 3py 0.013258 -0.193393 0.133269 0.163388 -0.112057 -0.192759 30O 1dz2 0.000870 0.000388 0.002231 0.000255 0.007041 -0.002356 30O 1dxz -0.000817 0.002668 0.000517 0.001600 0.005450 0.007165 30O 1dyz 0.009434 0.003226 0.005643 -0.008037 0.007314 -0.008865 30O 1dx2y2 0.003385 -0.002518 0.006954 -0.000396 0.007448 -0.006446 30O 1dxy 0.002750 -0.002766 -0.001623 -0.003794 -0.000276 -0.008680 30O 2dz2 -0.030869 0.022602 -0.017115 0.011519 -0.009031 -0.029584 30O 2dxz -0.028589 0.051574 -0.050946 -0.015247 0.027734 0.021592 30O 2dyz 0.210963 0.077658 0.067492 -0.140252 0.161710 -0.072561 30O 2dx2y2 0.190215 -0.044478 0.177053 -0.042505 0.228135 -0.006456 30O 2dxy 0.010481 -0.036325 0.026502 0.011326 0.041271 0.005908 30O 1f0 -0.003847 -0.001660 0.000368 0.007582 -0.000962 0.016742 30O 1f+1 0.001271 -0.002033 0.002448 -0.003437 -0.001185 0.004426 30O 1f-1 -0.005290 0.000915 -0.000844 0.001136 -0.005352 0.000961 30O 1f+2 -0.005937 0.003811 -0.005868 0.001652 -0.011226 0.001049 30O 1f-2 0.005053 0.002110 -0.004992 -0.001638 -0.009266 -0.006213 30O 1f+3 -0.006690 0.001885 0.000128 -0.000904 0.000815 -0.002234 30O 1f-3 0.002622 0.003060 -0.002429 -0.006721 -0.001626 0.001348 31O 1s -0.001689 -0.000201 -0.001388 0.000895 -0.002247 0.007024 31O 2s -0.007820 -0.000373 -0.001707 0.003864 -0.001861 0.021044 31O 3s 0.068090 0.006125 -0.035722 -0.019231 -0.079421 -0.062929 31O 4s -0.224905 0.014464 0.268565 0.018933 0.660143 -0.379666 31O 5s 0.826989 -0.770878 0.013942 -1.257240 -1.120801 -0.643593 31O 1pz 0.061627 -0.045730 -0.113535 0.044300 -0.025547 0.011039 31O 1px 0.094985 0.008996 -0.081455 -0.019001 -0.102454 0.050504 31O 1py -0.023308 -0.011166 -0.083209 0.020928 -0.013058 -0.010083 31O 2pz -0.009171 0.019538 0.200739 -0.174692 0.062947 -0.229592 31O 2px -0.110688 0.056797 -0.003647 0.112482 -0.059687 0.176783 31O 2py -0.087181 0.052180 0.109714 0.099184 0.016957 0.269132 31O 3pz -0.026954 -0.242658 -0.037491 -0.001410 -0.102122 0.020061 31O 3px -0.004752 0.318175 -0.265663 0.340679 0.069814 0.233876 31O 3py 0.018375 0.216838 -0.114782 0.132921 0.092571 -0.190096 31O 1dz2 -0.000878 0.000538 0.002465 -0.000028 0.007054 0.001630 31O 1dxz 0.000926 0.002897 0.000572 -0.001633 0.004458 -0.007618 31O 1dyz -0.009417 0.004088 0.005357 0.008474 0.008053 0.007687 31O 1dx2y2 -0.003610 -0.002794 0.006790 0.001276 0.008212 0.005207 31O 1dxy -0.002810 -0.002740 -0.001676 0.003932 0.000845 0.008639 31O 2dz2 0.032193 0.023045 -0.011029 -0.013855 -0.006340 0.033679 31O 2dxz 0.031785 0.056742 -0.046740 0.009157 0.023975 -0.019161 31O 2dyz -0.209007 0.093231 0.061126 0.145159 0.159398 0.050329 31O 2dx2y2 -0.196712 -0.041752 0.167838 0.061028 0.221243 -0.027457 31O 2dxy -0.010667 -0.042525 0.020169 -0.005152 0.037909 -0.011858 31O 1f0 -0.003688 0.002316 -0.000148 0.007633 0.002930 0.016332 31O 1f+1 0.001370 0.001815 -0.002061 -0.003541 0.001775 0.004228 31O 1f-1 -0.005348 -0.000621 0.000633 0.001417 0.005262 0.000248 31O 1f+2 -0.006163 -0.003694 0.005392 0.002522 0.011120 -0.000394 31O 1f-2 0.004916 -0.002470 0.004804 -0.001122 0.008211 -0.007253 31O 1f+3 -0.006765 -0.001845 -0.000477 -0.000828 -0.000892 -0.002285 31O 1f-3 0.002356 -0.003710 0.002479 -0.006214 0.002168 0.000715 32O 1s -0.005767 -0.006432 -0.010140 -0.005762 0.000178 0.011761 32O 2s -0.014698 -0.017456 -0.021683 -0.006831 -0.002298 0.034826 32O 3s -0.013412 0.012216 -0.153016 -0.248569 0.081870 -0.107882 32O 4s 0.264360 0.202388 0.859273 1.000880 -0.271940 -0.130107 32O 5s 0.324368 0.401280 1.068187 1.008588 -0.177677 -0.415207 32O 1pz 0.055726 -0.425120 0.211857 0.052455 -0.114251 -0.116669 32O 1px 0.044523 -0.229722 -0.075973 -0.001321 -0.040394 0.251616 32O 1py 0.228920 0.181174 0.503820 0.608251 -0.149075 -0.022774 32O 2pz -0.020270 -0.254710 0.146222 0.146089 -0.126904 0.044879 32O 2px -0.192676 -0.128319 -0.154592 -0.343115 0.048037 -0.268460 32O 2py -0.144159 -0.029341 -0.239348 -0.387263 0.123489 -0.157689 32O 3pz 0.067551 -0.797527 0.405923 0.167581 -0.261303 -0.285572 32O 3px 0.020462 -0.377582 -0.116026 -0.196401 -0.035043 0.276165 32O 3py 0.169771 0.270452 0.689788 0.900262 -0.198101 -0.127864 32O 1dz2 -0.002671 0.011913 -0.014562 -0.010449 0.005361 0.006461 32O 1dxz -0.003016 -0.017927 -0.001842 -0.004882 -0.003442 -0.001158 32O 1dyz 0.000297 0.019596 -0.009721 -0.006122 0.007147 0.001125 32O 1dx2y2 0.002128 -0.003547 0.004485 0.000580 -0.002060 -0.002155 32O 1dxy 0.003380 0.013219 0.008215 0.012625 -0.000928 -0.001834 32O 2dz2 0.171267 -0.095706 0.392693 0.300082 -0.150968 -0.143904 32O 2dxz 0.084916 0.309083 0.158598 0.179103 0.000690 -0.132865 32O 2dyz 0.011047 -0.500392 0.152427 0.023131 -0.123805 -0.058272 32O 2dx2y2 0.056018 0.084882 0.015855 0.024249 0.004542 0.064221 32O 2dxy -0.027040 -0.228714 -0.056594 -0.104815 -0.044966 0.033816 32O 1f0 0.010972 0.008455 0.033910 0.034430 -0.008458 -0.013592 32O 1f+1 -0.004657 -0.012007 -0.012445 -0.014709 0.001823 0.005025 32O 1f-1 0.015258 -0.014734 0.054071 0.049570 -0.019565 -0.015205 32O 1f+2 -0.004953 0.007546 -0.020525 -0.017612 0.007801 0.010643 32O 1f-2 0.008363 0.050615 0.014556 0.029457 0.004079 -0.004061 32O 1f+3 -0.005761 -0.014240 -0.008306 -0.011501 -0.000097 0.002546 32O 1f-3 -0.003638 -0.022890 -0.003293 -0.006120 -0.003395 0.004358 33O 1s 0.003264 -0.001421 -0.002545 0.001816 0.002129 0.004445 33O 2s 0.012037 -0.004042 -0.009045 0.004925 0.004805 0.013953 33O 3s -0.070775 0.006445 0.063795 -0.014078 0.002158 -0.048712 33O 4s 0.081291 0.018624 -0.100255 -0.112017 -0.187184 -0.228375 33O 5s -1.188590 1.040049 -0.161601 0.165738 0.762017 -0.583598 33O 1pz 0.019462 -0.003256 -0.042193 -0.015086 0.008081 -0.015120 33O 1px -0.017605 -0.032751 0.011251 -0.000151 0.039820 -0.010416 33O 1py -0.059250 0.038976 0.046512 0.126989 -0.003275 0.092572 33O 2pz -0.206682 0.073136 0.009925 0.046059 0.061211 -0.202778 33O 2px 0.120024 -0.065705 0.019191 0.033396 -0.013242 0.194809 33O 2py -0.001046 -0.041694 -0.074565 -0.140953 0.044406 -0.186756 33O 3pz -0.060462 0.364549 0.121340 -0.297223 -0.048876 0.132432 33O 3px 0.273508 -0.467683 0.002096 0.117695 -0.118362 0.015124 33O 3py 0.007448 0.034985 0.098971 0.099939 -0.063846 0.253314 33O 1dz2 -0.006111 -0.003672 -0.000145 0.003880 0.009511 -0.001917 33O 1dxz 0.000800 -0.002664 -0.003791 0.000422 0.002907 -0.003491 33O 1dyz -0.009219 -0.000303 -0.000465 0.002456 0.001593 -0.010923 33O 1dx2y2 0.000317 0.002215 0.000946 -0.000893 0.002017 0.004450 33O 1dxy -0.003086 0.001773 -0.000543 0.002385 -0.000206 -0.000749 33O 2dz2 -0.158237 -0.015772 -0.025475 0.095290 0.169367 -0.035528 33O 2dxz 0.066676 -0.122035 -0.022389 0.013243 0.022004 0.028560 33O 2dyz -0.169432 0.049822 -0.016968 0.107620 0.038375 -0.064840 33O 2dx2y2 0.041981 0.062467 0.004003 -0.060347 -0.005892 0.041339 33O 2dxy 0.036074 0.000320 -0.006528 -0.036494 -0.040641 0.006938 33O 1f0 0.001249 -0.003586 0.001718 0.002679 0.001270 0.001145 33O 1f+1 0.006371 -0.002167 0.002518 -0.002053 -0.004263 0.007670 33O 1f-1 -0.006910 -0.001471 -0.000446 0.002385 0.005924 -0.007816 33O 1f+2 -0.002841 0.006717 -0.003198 0.000736 -0.002880 -0.002891 33O 1f-2 0.004968 -0.001522 0.000123 -0.002825 -0.000910 0.000399 33O 1f+3 -0.002424 0.003331 -0.001144 0.001385 -0.002123 -0.004787 33O 1f-3 0.003308 -0.002983 -0.001058 -0.002852 0.002257 -0.003906 34O 1s -0.004439 -0.000941 -0.000814 0.000479 0.001397 0.003161 34O 2s -0.012981 -0.003315 -0.005068 0.001253 0.000681 0.011497 34O 3s 0.021509 0.026871 0.070864 0.009492 0.072948 -0.066213 34O 4s 0.401592 0.010739 -0.351033 -0.123267 -0.546460 0.111588 34O 5s 0.422519 -0.979423 0.230549 -0.192992 -0.287444 -1.436504 34O 1pz -0.058620 -0.060006 0.041186 0.055246 0.308751 -0.211728 34O 1px -0.033493 -0.033370 -0.016658 0.007631 0.005757 0.017895 34O 1py -0.075848 -0.034616 -0.000865 0.129951 0.120877 0.134793 34O 2pz 0.072945 0.084243 -0.053148 -0.096191 -0.375322 0.220492 34O 2px 0.358227 -0.049548 -0.083965 -0.147887 -0.255319 -0.245447 34O 2py 0.006481 0.077781 -0.013478 -0.100837 -0.185660 -0.007826 34O 3pz -0.004905 0.058193 0.125224 0.187440 0.298846 -0.164884 34O 3px 0.139448 -0.403759 0.176590 0.229017 -0.268229 -0.241457 34O 3py -0.186567 -0.022521 -0.112874 0.032193 -0.020920 0.057466 34O 1dz2 0.002390 -0.000550 -0.006230 -0.002504 -0.002431 0.000923 34O 1dxz 0.005449 0.001602 -0.001591 -0.004723 -0.001083 -0.000849 34O 1dyz -0.003929 0.001117 -0.001374 0.005203 -0.004772 0.007515 34O 1dx2y2 -0.006855 -0.000176 0.000794 0.007224 -0.002880 0.008754 34O 1dxy -0.002534 -0.000710 -0.003222 0.000751 -0.005203 0.005247 34O 2dz2 0.025477 0.041848 -0.076613 -0.020718 0.008503 0.047067 34O 2dxz -0.013435 0.009499 -0.007733 -0.010494 0.114115 -0.126174 34O 2dyz 0.062580 0.042569 -0.038026 0.017553 -0.098165 0.109927 34O 2dx2y2 0.038574 -0.044785 -0.015403 0.056531 -0.109300 0.070093 34O 2dxy 0.002416 0.049504 -0.053371 0.053257 -0.089881 0.210567 34O 1f0 0.001368 -0.000637 -0.000737 0.001349 -0.002688 0.005006 34O 1f+1 -0.007435 0.004273 0.002490 0.003551 0.006903 0.014163 34O 1f-1 0.001611 0.000062 -0.002293 -0.000817 -0.005752 -0.000809 34O 1f+2 -0.004569 0.002552 -0.006999 0.001501 -0.010695 0.006364 34O 1f-2 -0.007428 -0.000771 0.003998 0.004398 0.003128 0.002709 34O 1f+3 -0.000856 0.005232 0.002390 0.001196 0.003436 0.001177 34O 1f-3 0.005303 -0.002242 0.001921 -0.005411 0.000208 -0.005822 35O 1s 0.002857 0.000918 0.001218 0.000443 -0.002160 0.001568 35O 2s 0.007999 0.002325 0.004029 0.002611 -0.005218 0.005105 35O 3s -0.000407 -0.007881 -0.014538 -0.050355 -0.002561 -0.014127 35O 4s -0.334862 -0.081149 -0.053595 0.299991 0.209073 -0.074656 35O 5s -0.459196 0.678486 -0.247605 0.224741 0.345899 -0.627199 35O 1pz -0.121393 -0.030134 -0.052408 -0.040045 0.122787 -0.188763 35O 1px 0.004924 -0.009816 -0.011001 -0.008945 0.099904 0.042614 35O 1py 0.001105 0.076587 0.048594 0.015640 -0.224799 -0.054862 35O 2pz 0.069549 0.053826 0.063409 0.062816 -0.208195 0.140802 35O 2px -0.266249 0.060231 -0.065933 0.161564 -0.046094 -0.205747 35O 2py -0.148142 -0.091942 -0.101309 0.029284 0.366133 -0.041932 35O 3pz -0.121112 -0.020074 -0.148312 0.008723 0.122519 -0.181418 35O 3px -0.033252 0.249022 -0.185503 0.050362 0.196132 0.066290 35O 3py -0.099562 0.170558 -0.121064 0.191350 -0.100086 0.045625 35O 1dz2 -0.006501 -0.000833 0.000597 0.003693 -0.004278 -0.006576 35O 1dxz -0.003758 0.001493 -0.001069 0.002234 -0.002737 -0.002046 35O 1dyz -0.004370 0.002253 -0.000521 0.001614 -0.003614 -0.004260 35O 1dx2y2 0.006697 0.002433 -0.001436 -0.000726 -0.001294 0.007049 35O 1dxy 0.002540 0.001991 -0.002822 -0.001388 0.002889 0.001363 35O 2dz2 0.014310 -0.008501 0.003338 -0.014229 -0.065252 -0.038643 35O 2dxz -0.053540 0.001360 -0.019748 0.005059 -0.025503 -0.139669 35O 2dyz 0.020736 0.050815 -0.016843 -0.045300 -0.049574 -0.080118 35O 2dx2y2 0.012211 0.059708 -0.023098 0.033547 0.012191 0.089793 35O 2dxy 0.008991 0.039585 -0.047679 -0.017457 0.028058 -0.033336 35O 1f0 0.000331 0.000212 -0.001059 0.004857 0.001483 0.008357 35O 1f+1 -0.002013 -0.003704 0.003816 0.001346 0.002927 0.001943 35O 1f-1 -0.003387 0.001789 0.001108 0.000060 -0.005840 -0.001840 35O 1f+2 0.001285 0.000586 0.000581 -0.002105 -0.001458 0.001698 35O 1f-2 -0.007745 -0.001134 0.000940 -0.000409 0.000513 -0.008510 35O 1f+3 0.000833 -0.002473 0.004208 0.000743 0.007302 0.002953 35O 1f-3 0.011993 -0.003699 0.002681 -0.007765 -0.005817 0.004818 456 457 458 459 460 461 2.66651 2.67963 2.69148 2.69552 2.70957 2.71219 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s -0.000756 0.001509 0.001009 0.000403 -0.000599 0.000587 0Rh 2s 0.001681 -0.005618 -0.007587 -0.016552 0.007614 -0.006213 0Rh 3s -0.003445 0.005509 0.001350 -0.007695 0.001093 -0.000310 0Rh 4s -0.008673 0.029153 0.039506 0.085785 -0.039338 0.032345 0Rh 5s -0.000043 -0.032339 -0.076726 -0.214804 0.084093 -0.069362 0Rh 6s 0.067302 -0.076273 0.052279 0.323549 -0.080457 0.068283 0Rh 7s -0.391796 0.582222 -0.121057 -1.195609 0.426747 -0.130106 0Rh 8s 0.170032 0.076222 -0.029898 0.495377 -0.157534 -0.095744 0Rh 1pz -0.007735 0.011217 0.005059 0.001033 -0.003057 -0.009826 0Rh 1px -0.002612 0.008380 0.000011 -0.004196 0.000008 -0.000922 0Rh 1py -0.004689 -0.002642 0.006594 -0.000295 -0.003313 -0.006324 0Rh 2pz 0.028226 -0.041120 -0.018129 -0.003466 0.010795 0.035051 0Rh 2px 0.009210 -0.029658 0.000181 0.013978 0.001211 0.003622 0Rh 2py 0.016900 0.009823 -0.023908 0.000762 0.012310 0.022421 0Rh 3pz -0.035987 0.056317 0.015793 -0.002020 -0.005728 -0.026969 0Rh 3px -0.005088 0.017764 -0.004702 0.010468 -0.027366 -0.009936 0Rh 3py -0.017508 -0.015888 0.026781 0.005567 -0.020494 -0.014323 0Rh 4pz -0.048666 0.053762 0.063873 0.033369 -0.055191 -0.138533 0Rh 4px -0.043655 0.140187 0.017500 -0.144946 0.105962 0.015963 0Rh 4py -0.043366 -0.005298 0.059017 -0.028041 0.000999 -0.101077 0Rh 5pz 0.074817 -0.069210 -0.113963 -0.062613 0.111457 0.253464 0Rh 5px 0.075897 -0.268702 -0.028016 0.274316 -0.210824 -0.030579 0Rh 5py 0.057376 0.009455 -0.099710 0.046308 -0.024878 0.189845 0Rh 6pz 0.149371 -0.368411 -0.236541 0.093071 -0.078861 -0.095842 0Rh 6px -0.038934 0.198866 -0.030197 -0.430736 0.534617 0.088699 0Rh 6py 0.188379 0.442013 -0.348341 0.069902 0.291609 -0.211283 0Rh 1dz2 0.008767 0.001290 0.016921 -0.009284 -0.002519 -0.014394 0Rh 1dxz -0.007893 0.008374 -0.012375 -0.009139 -0.005869 0.003404 0Rh 1dyz 0.027365 0.007280 0.007706 -0.010118 -0.019288 -0.002504 0Rh 1dx2y2 0.008728 -0.000005 0.015838 0.017431 0.011303 0.015760 0Rh 1dxy 0.006245 -0.005653 0.007276 -0.006224 -0.014021 0.017806 0Rh 2dz2 -0.003002 -0.002964 -0.002098 0.002293 0.001051 0.000419 0Rh 2dxz -0.000431 -0.001498 -0.000631 0.002156 -0.000765 0.002052 0Rh 2dyz -0.002245 -0.001129 -0.009522 0.002475 0.004295 0.000975 0Rh 2dx2y2 -0.002799 0.000452 -0.000647 -0.002659 0.001642 -0.001121 0Rh 2dxy -0.002596 -0.000838 -0.003669 -0.001096 0.001224 0.001293 0Rh 3dz2 -0.012094 0.009392 -0.039404 0.016284 0.002109 0.039924 0Rh 3dxz 0.024427 -0.017509 0.038695 0.016656 0.020573 -0.019415 0Rh 3dyz -0.068355 -0.015639 0.021586 0.018025 0.036527 0.002796 0Rh 3dx2y2 -0.012725 -0.002304 -0.042954 -0.038420 -0.040638 -0.040684 0Rh 3dxy -0.006310 0.020126 -0.004223 0.023028 0.035087 -0.057801 0Rh 4dz2 -0.037371 -0.039485 -0.029884 0.034667 0.022276 0.002904 0Rh 4dxz -0.003256 -0.019736 -0.012074 0.030537 -0.012614 0.034380 0Rh 4dyz -0.034324 -0.019984 -0.153619 0.036631 0.062229 0.015083 0Rh 4dx2y2 -0.036637 0.011494 -0.006225 -0.034312 0.032439 -0.013897 0Rh 4dxy -0.037067 -0.013832 -0.057076 -0.017304 0.016870 0.026062 0Rh 5dz2 0.147649 0.111567 0.254355 -0.218489 -0.162911 -0.167596 0Rh 5dxz -0.092939 0.134074 -0.093392 -0.191703 -0.035432 -0.096002 0Rh 5dyz 0.383143 0.158653 0.657039 -0.228731 -0.421728 -0.077451 0Rh 5dx2y2 0.180957 -0.079749 0.188477 0.265208 -0.017539 0.229230 0Rh 5dxy 0.170644 -0.020603 0.282261 -0.015422 -0.205075 0.090376 0Rh 1f0 0.003025 0.047941 -0.036336 0.027424 0.030229 -0.001263 0Rh 1f+1 0.036607 -0.013245 -0.039783 -0.013455 0.005165 0.053294 0Rh 1f-1 0.096678 -0.091709 -0.068435 0.003072 0.054274 0.140310 0Rh 1f+2 -0.068430 0.133960 0.022278 -0.032097 -0.011554 -0.083012 0Rh 1f-2 0.072712 0.021284 -0.091744 -0.010145 0.028961 0.058817 0Rh 1f+3 0.003048 -0.066770 0.035799 -0.026742 -0.006097 0.043511 0Rh 1f-3 -0.018524 0.003871 -0.013479 -0.015716 0.006189 0.037731 1Rh 1s -0.000881 0.001691 -0.001027 0.000427 -0.000754 -0.000567 1Rh 2s 0.002544 -0.006859 0.007425 -0.016674 0.008953 0.006160 1Rh 3s -0.003661 0.005828 -0.001556 -0.007625 0.000994 0.000394 1Rh 4s -0.013158 0.035610 -0.038665 0.086416 -0.046314 -0.032069 1Rh 5s 0.008295 -0.044341 0.073946 -0.215766 0.098313 0.069260 1Rh 6s 0.062911 -0.070002 -0.045966 0.323269 -0.092265 -0.069980 1Rh 7s -0.386791 0.574984 0.090958 -1.192510 0.450936 0.138164 1Rh 8s 0.184750 0.057178 0.040865 0.495587 -0.147381 0.089002 1Rh 1pz 0.007883 -0.011610 0.005342 -0.001256 0.002822 -0.009905 1Rh 1px 0.002578 -0.008396 0.000172 0.004224 0.000047 -0.000988 1Rh 1py 0.004446 0.003043 0.006684 0.000179 0.003060 -0.006466 1Rh 2pz -0.028772 0.042538 -0.019172 0.004255 -0.009970 0.035333 1Rh 2px -0.009086 0.029710 -0.000375 -0.014072 -0.001361 0.003865 1Rh 2py -0.016033 -0.011265 -0.024222 -0.000346 -0.011423 0.022941 1Rh 3pz 0.036783 -0.057714 0.017319 0.001488 0.005352 -0.027189 1Rh 3px 0.004958 -0.017729 -0.004665 -0.010580 0.026426 -0.010334 1Rh 3py 0.016858 0.017262 0.026906 -0.005873 0.020161 -0.015051 1Rh 4pz 0.049298 -0.058146 0.064811 -0.036631 0.050949 -0.139701 1Rh 4px 0.043157 -0.140490 0.021325 0.146232 -0.100951 0.015857 1Rh 4py 0.039760 0.010068 0.060616 0.026342 -0.005982 -0.101705 1Rh 5pz -0.076165 0.077392 -0.114718 0.067718 -0.104489 0.255973 1Rh 5px -0.074106 0.267874 -0.035128 -0.277526 0.201618 -0.030453 1Rh 5py -0.050043 -0.019075 -0.102143 -0.043241 0.034404 0.190407 1Rh 6pz -0.153183 0.373307 -0.256124 -0.080468 0.082704 -0.105991 1Rh 6px 0.021482 -0.171194 -0.024766 0.451336 -0.519908 0.088338 1Rh 6py -0.202201 -0.427603 -0.339615 -0.069045 -0.319457 -0.193407 1Rh 1dz2 0.009740 0.000249 -0.016479 -0.008935 -0.001315 0.014545 1Rh 1dxz -0.007484 0.007650 0.011846 -0.009153 -0.004014 -0.003425 1Rh 1dyz 0.027516 0.006752 -0.006047 -0.009997 -0.018980 0.003593 1Rh 1dx2y2 0.008658 0.000353 -0.015442 0.017107 0.008849 -0.016239 1Rh 1dxy 0.006135 -0.005801 -0.006722 -0.006433 -0.014613 -0.017227 1Rh 2dz2 -0.002984 -0.002933 0.002101 0.002217 0.000960 -0.000495 1Rh 2dxz -0.000337 -0.001606 0.000675 0.002108 -0.000799 -0.002058 1Rh 2dyz -0.002426 -0.000762 0.009295 0.002344 0.004201 -0.001221 1Rh 2dx2y2 -0.002881 0.000633 0.000586 -0.002612 0.001726 0.001115 1Rh 2dxy -0.002736 -0.000608 0.003524 -0.001136 0.001270 -0.001353 1Rh 3dz2 -0.014987 0.012250 0.038132 0.015617 -0.000965 -0.039990 1Rh 3dxz 0.022827 -0.014915 -0.037358 0.016914 0.015333 0.019511 1Rh 3dyz -0.067955 -0.015814 -0.025358 0.018272 0.036062 -0.004841 1Rh 3dx2y2 -0.012159 -0.004152 0.042106 -0.037694 -0.033896 0.042124 1Rh 3dxy -0.005359 0.019504 0.003276 0.023817 0.036607 0.056396 1Rh 4dz2 -0.036844 -0.039120 0.029616 0.033576 0.021112 -0.004462 1Rh 4dxz -0.001767 -0.021633 0.012544 0.029796 -0.012665 -0.034610 1Rh 4dyz -0.037258 -0.014026 0.150441 0.034648 0.060839 -0.018679 1Rh 4dx2y2 -0.037839 0.014296 0.005094 -0.033663 0.033158 0.013362 1Rh 4dxy -0.039266 -0.010207 0.054954 -0.018002 0.017312 -0.026940 1Rh 5dz2 0.155297 0.098877 -0.246138 -0.211453 -0.144914 0.178038 1Rh 5dxz -0.092746 0.131800 0.087531 -0.189894 -0.014771 0.097853 1Rh 5dyz 0.396619 0.129698 -0.629303 -0.221433 -0.413409 0.101536 1Rh 5dx2y2 0.181785 -0.082676 -0.178554 0.259839 -0.047851 -0.229980 1Rh 5dxy 0.176898 -0.034672 -0.268986 -0.014807 -0.213239 -0.080746 1Rh 1f0 -0.001997 -0.050607 -0.035976 -0.028003 -0.030005 -0.000072 1Rh 1f+1 -0.037729 0.013374 -0.039852 0.015552 -0.002131 0.053572 1Rh 1f-1 -0.097649 0.094080 -0.071649 0.000989 -0.047737 0.141801 1Rh 1f+2 0.071281 -0.138637 0.025607 0.028306 0.010495 -0.083521 1Rh 1f-2 -0.069625 -0.026512 -0.092704 0.011050 -0.024439 0.059743 1Rh 1f+3 -0.006490 0.071940 0.035099 0.028931 0.008291 0.043074 1Rh 1f-3 0.020226 -0.005674 -0.012864 0.016171 -0.002763 0.037656 2C 1s 0.001437 -0.002188 -0.000845 -0.006277 0.007786 -0.010884 2C 2s 0.001546 -0.004332 -0.001767 -0.020666 0.026822 -0.037299 2C 3s -0.393548 -0.078889 0.117357 -0.171966 0.285832 -0.125224 2C 4s 2.276361 0.748111 -0.353974 1.265344 -2.424032 1.482041 2C 5s 1.506016 -0.196079 -0.008550 -1.796106 0.097603 -3.104901 2C 1pz -0.124907 -0.010897 0.045284 -0.040983 0.063300 0.023517 2C 1px -0.063334 0.071453 0.081540 -0.016859 -0.045537 -0.034814 2C 1py -0.076136 -0.018621 -0.003825 -0.029189 0.088674 -0.002811 2C 2pz 0.576069 0.952797 0.466797 -0.267208 -0.402097 -1.150108 2C 2px 1.283889 -0.553625 -0.347882 -0.047196 -0.157657 0.079020 2C 2py 0.594806 -0.148749 -0.207812 -0.166167 0.262192 -0.745742 2C 3pz 0.320706 0.117079 0.025685 -0.362368 -0.197266 -0.602438 2C 3px 0.057349 -0.100546 -0.089424 -0.097606 0.071406 -0.036570 2C 3py 0.389556 0.005592 -0.044137 -0.208809 0.050879 -0.377219 2C 1dz2 0.058468 -0.066343 -0.069989 0.089242 -0.048764 0.163193 2C 1dxz 0.101963 -0.028243 -0.029354 0.040996 -0.064113 0.099662 2C 1dyz 0.059265 0.015958 -0.022352 0.133560 -0.190747 0.261992 2C 1dx2y2 -0.085613 0.044971 0.033344 -0.054312 0.051427 -0.120650 2C 1dxy 0.021127 -0.105894 -0.058458 0.020660 0.032403 0.034861 2C 2dz2 -0.024321 0.276128 0.158399 -0.158432 -0.004095 -0.483114 2C 2dxz -0.116004 -0.069820 -0.070177 -0.093532 0.189173 -0.174133 2C 2dyz 0.331855 0.045131 0.064614 -0.194887 0.150796 -0.559195 2C 2dx2y2 0.278462 -0.467139 -0.292013 0.105446 0.084466 0.358752 2C 2dxy 0.158589 0.116016 -0.038707 -0.013415 -0.010366 -0.000669 2C 1f0 0.027765 -0.119421 -0.084697 0.022039 0.071896 0.015900 2C 1f+1 -0.025247 0.011009 0.033546 -0.015855 -0.006654 -0.014483 2C 1f-1 0.041845 -0.001702 -0.022087 0.061069 -0.068294 0.092475 2C 1f+2 -0.113151 -0.059356 -0.022657 -0.049929 0.152199 -0.104703 2C 1f-2 0.013952 -0.031389 -0.030703 0.048576 0.009565 0.055220 2C 1f+3 -0.047682 -0.008917 0.004979 -0.033334 0.086541 -0.060021 2C 1f-3 0.029807 0.070744 0.056161 -0.008441 -0.053544 -0.005112 3C 1s -0.000428 -0.001019 0.004165 -0.008622 -0.001853 0.002045 3C 2s 0.000040 -0.002187 0.013680 -0.029651 -0.006477 0.006443 3C 3s 0.329105 0.099925 0.110888 -0.378618 -0.001120 0.097315 3C 4s -2.091278 -0.424122 -1.075455 2.833716 0.397892 -0.746596 3C 5s -1.270205 0.085012 0.223660 -0.975305 0.906187 0.439001 3C 1pz 0.085045 -0.025225 0.081340 -0.084342 -0.007678 0.027102 3C 1px 0.018219 0.044273 -0.030471 -0.039165 0.019962 -0.003775 3C 1py -0.075169 -0.053385 -0.004580 0.087947 -0.014856 -0.008364 3C 2pz -0.030422 0.183572 0.087374 -0.172246 0.027294 -0.117959 3C 2px -0.465496 -0.784239 0.578309 0.131543 -0.122890 0.175064 3C 2py 1.093646 -0.107269 0.551590 -0.272733 -0.111526 0.163542 3C 3pz -0.353938 -0.143226 0.005756 -0.034896 0.089742 0.025933 3C 3px -0.102383 -0.020893 0.200626 -0.080497 0.074170 0.063544 3C 3py 0.381358 -0.109455 0.098270 0.100374 -0.284260 -0.002199 3C 1dz2 -0.047497 0.036125 -0.074781 0.001436 0.002164 -0.020315 3C 1dxz -0.014484 -0.075071 0.022415 0.076033 -0.000737 -0.002319 3C 1dyz 0.010370 -0.012321 0.053283 -0.171026 -0.028200 0.047060 3C 1dx2y2 0.044441 0.050237 0.024805 -0.142842 -0.025127 0.012766 3C 1dxy 0.074670 0.005244 0.079671 -0.128036 0.012052 0.028234 3C 2dz2 0.041544 0.055503 -0.014896 -0.004674 0.009614 -0.038969 3C 2dxz -0.079739 0.240873 -0.142091 -0.052862 0.075348 -0.041007 3C 2dyz 0.377838 0.097556 0.115971 0.067701 0.060341 -0.031621 3C 2dx2y2 0.019631 -0.189574 0.075528 0.185538 -0.064559 0.075321 3C 2dxy -0.012717 0.090027 -0.272487 0.139664 0.021697 -0.037612 3C 1f0 -0.059662 0.023258 -0.053870 0.014295 0.006679 -0.007395 3C 1f+1 -0.068996 -0.005470 -0.054563 0.041759 0.015270 -0.018330 3C 1f-1 0.113777 -0.032260 0.108969 -0.053581 -0.015182 0.024227 3C 1f+2 0.052542 0.029457 0.008609 -0.142003 -0.007906 0.024571 3C 1f-2 0.073905 0.010695 0.094020 -0.106092 -0.018679 0.025346 3C 1f+3 -0.031207 0.057974 -0.079359 0.029246 0.007409 -0.027377 3C 1f-3 -0.004488 0.021255 -0.067510 0.001052 -0.028614 -0.018818 4C 1s -0.005781 -0.000957 0.001742 0.002311 -0.002093 0.001731 4C 2s -0.025883 -0.000677 0.009726 -0.001949 -0.000153 -0.005660 4C 3s 0.446358 0.065102 -0.250410 0.138074 0.109461 0.050198 4C 4s -1.283368 -0.730066 0.613572 -0.187251 -1.103973 0.594355 4C 5s 0.067544 0.130339 -0.016334 0.001542 -0.854338 0.946888 4C 1pz 0.010875 -0.084172 -0.071494 0.009840 0.037692 0.053508 4C 1px 0.031795 -0.010241 -0.010572 0.039693 0.006248 0.057583 4C 1py -0.001513 -0.066984 -0.048964 0.020980 0.028191 0.047796 4C 2pz 0.615148 0.564654 0.399646 0.015295 -0.762873 -0.496158 4C 2px 0.134507 0.009432 -0.001792 -0.180917 -0.145232 -0.345331 4C 2py 0.515692 0.393198 0.216944 -0.049114 -0.497727 -0.398498 4C 3pz 1.934213 0.155482 -0.262791 -1.138284 -1.004425 -1.121482 4C 3px 0.102366 0.532850 0.085942 -0.237578 -0.252645 -0.481142 4C 3py 0.961226 0.234079 -0.073550 -0.847477 -0.952934 -0.848635 4C 1dz2 0.153615 0.078216 -0.001147 0.067900 -0.094764 0.127908 4C 1dxz 0.072274 0.031694 -0.014123 0.043501 -0.080386 0.076228 4C 1dyz 0.055504 -0.048027 -0.032412 0.084681 -0.138944 0.152887 4C 1dx2y2 0.000818 0.117935 0.023601 -0.037001 -0.056487 -0.047849 4C 1dxy 0.045140 -0.027027 -0.030793 0.036182 0.023179 0.043801 4C 2dz2 -0.830207 0.004735 0.068596 -0.011304 0.294615 -0.014674 4C 2dxz 0.153688 -0.730467 -0.565651 0.017954 0.601373 0.236716 4C 2dyz -0.546716 -0.112245 0.008493 -0.102997 0.401503 -0.002154 4C 2dx2y2 0.357533 0.101005 0.170326 -0.132724 -0.407990 -0.183818 4C 2dxy 0.295927 -0.302805 -0.062723 -0.145098 -0.110074 0.065701 4C 1f0 0.009613 -0.046870 -0.080612 -0.004286 0.092220 -0.034777 4C 1f+1 0.018811 -0.010692 -0.027847 -0.000828 0.010309 -0.014514 4C 1f-1 -0.087937 0.065344 0.066372 -0.076827 0.121010 -0.182168 4C 1f+2 0.031242 0.009590 0.007600 0.023919 0.008685 0.037683 4C 1f-2 0.037102 -0.033076 -0.022863 -0.017386 0.120688 -0.063742 4C 1f+3 -0.036283 -0.037075 -0.027366 -0.039020 -0.003452 -0.047738 4C 1f-3 -0.010143 0.041754 -0.001952 0.052669 -0.027495 0.024333 5C 1s 0.005096 0.003025 -0.001621 0.000962 -0.001694 0.000150 5C 2s 0.018644 0.012696 -0.003064 -0.009364 -0.004115 0.002325 5C 3s -0.278567 -0.116228 -0.010330 0.203918 0.026216 -0.076282 5C 4s 0.856594 -0.120175 0.136926 -0.176264 -0.296099 0.301342 5C 5s -0.502061 -0.436007 -0.096990 0.442716 0.140728 -0.076146 5C 1pz 0.038392 0.004537 0.032416 -0.010507 -0.011101 0.019948 5C 1px 0.012474 -0.059858 0.011126 0.003572 -0.004727 0.022505 5C 1py -0.036574 0.039625 -0.043902 0.008109 0.014739 -0.009155 5C 2pz -0.569240 -0.119698 -0.254025 0.336791 0.028746 -0.121993 5C 2px -0.302876 0.050471 -0.086233 0.209352 0.009615 -0.123549 5C 2py 0.839556 0.023458 0.408563 -0.548581 -0.063263 0.170490 5C 3pz -1.053654 0.119020 -0.177297 0.169667 0.789917 0.007675 5C 3px -0.725054 -0.016346 -0.259332 0.023704 0.629735 -0.069402 5C 3py 1.962632 0.237057 -0.004058 -0.161210 -1.078526 -0.064976 5C 1dz2 0.104526 0.062494 0.053131 -0.071626 -0.001943 0.001511 5C 1dxz 0.069400 -0.056065 0.094800 0.031240 0.023197 0.011352 5C 1dyz 0.022062 -0.022230 0.040918 -0.126248 -0.040936 0.042417 5C 1dx2y2 0.104690 0.052371 0.075950 -0.134871 0.000742 0.007853 5C 1dxy 0.070898 -0.025395 0.049868 -0.111137 -0.006476 0.035855 5C 2dz2 0.011283 0.006122 -0.089051 0.034778 -0.065026 -0.042984 5C 2dxz 0.254581 -0.066004 0.197896 -0.173197 -0.245714 0.065783 5C 2dyz -0.296061 -0.212754 0.077332 0.340880 0.011662 -0.028164 5C 2dx2y2 -0.756404 -0.271403 -0.081939 0.450388 0.125699 -0.084641 5C 2dxy -0.464012 0.342804 -0.636317 0.309805 0.183997 -0.255708 5C 1f0 -0.038350 -0.026773 -0.048799 0.107823 -0.019401 -0.034033 5C 1f+1 -0.017187 0.019169 0.014631 0.037540 -0.048411 -0.043314 5C 1f-1 -0.005201 -0.083821 0.125331 -0.048821 -0.059887 0.027253 5C 1f+2 -0.020459 -0.015784 -0.042991 0.100883 0.039353 0.006049 5C 1f-2 -0.010664 -0.000319 -0.034635 0.047608 0.021856 -0.024394 5C 1f+3 0.006097 0.016183 -0.041615 -0.050052 -0.016610 -0.006729 5C 1f-3 -0.032528 -0.000173 -0.024939 0.000963 -0.022954 -0.028848 6C 1s 0.005063 0.003243 0.001713 0.000903 -0.001788 -0.000189 6C 2s 0.018471 0.013521 0.003403 -0.009549 -0.004633 -0.002278 6C 3s -0.273775 -0.130329 0.009582 0.208491 0.035743 0.081417 6C 4s 0.843705 -0.082774 -0.143218 -0.200810 -0.331546 -0.340363 6C 5s -0.512719 -0.422360 0.071072 0.433600 0.166992 0.053329 6C 1pz -0.039404 -0.001900 0.032029 0.010888 0.012647 0.019971 6C 1px -0.013702 0.063208 0.010399 -0.002217 0.007992 0.022588 6C 1py 0.038502 -0.044435 -0.041526 -0.008838 -0.016556 -0.009721 6C 2pz 0.577471 0.103826 -0.235125 -0.337119 -0.036683 -0.116700 6C 2px 0.307813 -0.077587 -0.080652 -0.224777 -0.031554 -0.128535 6C 2py -0.854882 0.010242 0.370931 0.554008 0.079072 0.163906 6C 3pz 1.059184 -0.128756 -0.096919 -0.164273 -0.758392 0.057666 6C 3px 0.742196 -0.018269 -0.220821 -0.031093 -0.630807 -0.050469 6C 3py -1.974585 -0.214032 -0.116770 0.159434 1.018055 -0.123973 6C 1dz2 0.105598 0.060661 -0.055060 -0.070703 -0.002440 -0.001049 6C 1dxz 0.070912 -0.059291 -0.096492 0.030152 0.018225 -0.013420 6C 1dyz 0.023064 -0.023115 -0.034601 -0.126869 -0.043142 -0.037753 6C 1dx2y2 0.104805 0.052376 -0.076525 -0.134319 -0.004303 -0.006057 6C 1dxy 0.071953 -0.024661 -0.046593 -0.111646 -0.011051 -0.032364 6C 2dz2 0.010225 0.007605 0.099023 0.033707 -0.061690 0.050076 6C 2dxz 0.267155 -0.086874 -0.176406 -0.173745 -0.247432 -0.052795 6C 2dyz -0.289569 -0.223277 -0.087726 0.344310 0.011480 0.025325 6C 2dx2y2 -0.760769 -0.259682 0.053296 0.455598 0.131920 0.070231 6C 2dxy -0.482875 0.372266 0.614490 0.314073 0.215009 0.243159 6C 1f0 0.039600 0.025718 -0.047505 -0.108290 0.016783 -0.032380 6C 1f+1 0.017023 -0.020095 0.014694 -0.039050 0.046485 -0.045350 6C 1f-1 0.002189 0.088071 0.123377 0.048855 0.065103 0.023289 6C 1f+2 0.019597 0.017846 -0.039363 -0.099047 -0.040283 0.012169 6C 1f-2 0.012328 -0.001649 -0.034118 -0.048544 -0.024755 -0.022752 6C 1f+3 -0.005534 -0.016441 -0.042913 0.050179 0.015690 -0.008535 6C 1f-3 0.033959 -0.000204 -0.023748 -0.001735 0.019376 -0.029554 7C 1s -0.005642 -0.000946 -0.001826 0.002370 -0.001812 -0.001733 7C 2s -0.025275 -0.000561 -0.010499 -0.001541 0.000905 0.005571 7C 3s 0.430870 0.065204 0.261013 0.129671 0.094510 -0.054859 7C 4s -1.213294 -0.747694 -0.621316 -0.170307 -1.051632 -0.558076 7C 5s 0.066503 0.109594 0.050725 -0.016394 -0.848628 -0.898807 7C 1pz -0.014225 0.085347 -0.069463 -0.008228 -0.037670 0.055450 7C 1px -0.033794 0.012012 -0.011853 -0.038688 -0.003173 0.058900 7C 1py -0.001023 0.068439 -0.049552 -0.020063 -0.026519 0.050108 7C 2pz -0.581159 -0.568164 0.351590 -0.022428 0.761543 -0.526787 7C 2px -0.110140 -0.021083 -0.009072 0.176181 0.128435 -0.358409 7C 2py -0.489484 -0.402645 0.191784 0.044635 0.492380 -0.425077 7C 3pz -1.947614 -0.162621 -0.355786 1.128737 0.963383 -1.181870 7C 3px -0.089966 -0.543632 0.081171 0.225050 0.221067 -0.497642 7C 3py -0.973805 -0.236133 -0.142487 0.834928 0.906814 -0.908745 7C 1dz2 0.151897 0.077554 0.002805 0.064838 -0.094912 -0.124180 7C 1dxz 0.072929 0.031424 0.014724 0.042199 -0.081163 -0.074010 7C 1dyz 0.055497 -0.049237 0.043410 0.083232 -0.138968 -0.149848 7C 1dx2y2 0.001677 0.118288 -0.029816 -0.036113 -0.050098 0.050668 7C 1dxy 0.042598 -0.024062 0.033333 0.035247 0.020198 -0.045116 7C 2dz2 -0.811207 -0.002599 -0.102353 -0.005774 0.301250 0.001929 7C 2dxz 0.157941 -0.722511 0.562094 0.004443 0.575363 -0.258411 7C 2dyz -0.532145 -0.116079 -0.040773 -0.101018 0.408057 -0.013252 7C 2dx2y2 0.347651 0.109827 -0.138934 -0.125253 -0.407654 0.204968 7C 2dxy 0.298853 -0.297804 0.075944 -0.149609 -0.120734 -0.057638 7C 1f0 -0.006408 0.043407 -0.079894 0.002830 -0.089236 -0.029663 7C 1f+1 -0.020201 0.011904 -0.028500 0.000634 -0.011491 -0.013289 7C 1f-1 0.086225 -0.065246 0.074060 0.074000 -0.122650 -0.178457 7C 1f+2 -0.032462 -0.008552 0.006722 -0.024519 -0.006234 0.040636 7C 1f-2 -0.038172 0.032741 -0.020681 0.018209 -0.118369 -0.059696 7C 1f+3 0.037227 0.036473 -0.027593 0.037442 0.000066 -0.049653 7C 1f-3 0.010293 -0.040574 -0.001092 -0.051142 0.025133 0.024090 8C 1s -0.000363 -0.001141 -0.004161 -0.008639 -0.002233 -0.001766 8C 2s 0.000246 -0.002524 -0.013537 -0.029667 -0.007626 -0.005425 8C 3s 0.330562 0.097997 -0.100349 -0.381249 -0.009207 -0.093634 8C 4s -2.111136 -0.393801 0.996642 2.851202 0.477570 0.690944 8C 5s -1.270278 0.099008 -0.314227 -0.982016 0.788164 -0.472114 8C 1pz -0.087682 0.029600 0.077488 0.085102 0.010079 0.025418 8C 1px -0.015351 -0.048118 -0.030610 0.039323 -0.020824 -0.003537 8C 1py 0.074702 0.054115 -0.002807 -0.088299 0.015281 -0.008287 8C 2pz 0.028053 -0.188605 0.099998 0.165259 -0.028375 -0.129337 8C 2px 0.456412 0.812756 0.590828 -0.131176 0.157456 0.172623 8C 2py -1.108217 0.143674 0.524086 0.283711 0.128932 0.170398 8C 3pz 0.355128 0.136700 0.017782 0.035389 -0.078053 0.028562 8C 3px 0.098487 0.023949 0.208232 0.083188 -0.054276 0.065949 8C 3py -0.385651 0.117693 0.073136 -0.098322 0.271172 -0.012644 8C 1dz2 -0.050084 0.038727 0.076214 0.002754 0.006555 0.021208 8C 1dxz -0.012305 -0.078376 -0.024591 0.074760 -0.001296 -0.000009 8C 1dyz 0.011622 -0.013249 -0.051144 -0.171372 -0.033003 -0.041974 8C 1dx2y2 0.044426 0.051067 -0.022911 -0.142496 -0.026907 -0.008905 8C 1dxy 0.075645 0.007133 -0.077630 -0.128125 0.007011 -0.024698 8C 2dz2 0.039624 0.064533 0.012008 -0.004725 0.011610 0.037152 8C 2dxz -0.089171 0.258083 0.144903 -0.045948 0.081385 0.044897 8C 2dyz 0.381831 0.091261 -0.109643 0.067248 0.062927 0.023387 8C 2dx2y2 0.026119 -0.204296 -0.071595 0.180720 -0.069757 -0.080510 8C 2dxy -0.023530 0.097164 0.274282 0.139674 0.032534 0.030817 8C 1f0 0.061766 -0.025630 -0.053155 -0.015430 -0.008496 -0.006871 8C 1f+1 0.070276 0.002327 -0.052041 -0.040168 -0.017025 -0.017055 8C 1f-1 -0.117154 0.037177 0.109111 0.054538 0.020269 0.022854 8C 1f+2 -0.053129 -0.029532 0.007008 0.142368 0.009148 0.021568 8C 1f-2 -0.074860 -0.009502 0.091734 0.106410 0.023145 0.022531 8C 1f+3 0.032094 -0.059464 -0.077609 -0.029542 -0.012840 -0.026500 8C 1f-3 0.003492 -0.022015 -0.069905 -0.000414 0.024220 -0.020022 9C 1s 0.001532 -0.002196 0.000693 -0.006237 0.007696 0.010686 9C 2s 0.001744 -0.004281 0.001081 -0.020504 0.026527 0.036630 9C 3s -0.380149 -0.078960 -0.139793 -0.166139 0.288456 0.115745 9C 4s 2.193547 0.751486 0.505578 1.236110 -2.430599 -1.401784 9C 5s 1.550096 -0.184580 0.053422 -1.754042 0.161200 3.123977 9C 1pz 0.121052 0.011684 0.050820 0.040344 -0.062789 0.025548 9C 1px 0.062433 -0.071554 0.083605 0.014644 0.042399 -0.036468 9C 1py 0.074730 0.017608 0.002120 0.028523 -0.087793 -0.000400 9C 2pz -0.537505 -0.959298 0.450921 0.254365 0.389256 -1.171444 9C 2px -1.278522 0.536109 -0.389632 0.060322 0.192050 0.073100 9C 2py -0.576019 0.134999 -0.238213 0.162167 -0.249323 -0.744878 9C 3pz -0.325671 -0.116903 0.010686 0.352021 0.177654 -0.615153 9C 3px -0.054353 0.092055 -0.091123 0.098833 -0.059907 -0.034935 9C 3py -0.387735 -0.012488 -0.053007 0.208035 -0.054939 -0.379797 9C 1dz2 0.054220 -0.065531 0.076940 0.086970 -0.050357 -0.162015 9C 1dxz 0.104552 -0.031638 0.033961 0.038299 -0.063926 -0.097508 9C 1dyz 0.060715 0.013605 0.029041 0.130364 -0.191664 -0.257992 9C 1dx2y2 -0.084591 0.047337 -0.039213 -0.052272 0.053307 0.119963 9C 1dxy 0.018989 -0.105100 0.062376 0.019727 0.031607 -0.035439 9C 2dz2 -0.028028 0.277300 -0.163105 -0.149244 0.004672 0.485442 9C 2dxz -0.131804 -0.055964 0.066502 -0.090605 0.179541 0.170397 9C 2dyz 0.319520 0.048071 -0.057215 -0.192397 0.149779 0.559882 9C 2dx2y2 0.282207 -0.476252 0.306127 0.096214 0.074891 -0.363954 9C 2dxy 0.167546 0.108073 0.040844 -0.016759 -0.015731 -0.002878 9C 1f0 -0.024736 0.115597 -0.090018 -0.021802 -0.067151 0.018514 9C 1f+1 0.023735 -0.008826 0.032078 0.015183 0.006001 -0.014971 9C 1f-1 -0.039891 0.002118 -0.025931 -0.059219 0.068950 0.090127 9C 1f+2 0.112233 0.058295 -0.016422 0.050203 -0.152355 -0.101792 9C 1f-2 -0.012688 0.034765 -0.032826 -0.046348 -0.012956 0.054785 9C 1f+3 0.047107 0.010738 0.006452 0.032007 -0.087796 -0.056860 9C 1f-3 -0.028524 -0.070662 0.056540 0.009427 0.049707 -0.009285 10H 1s 0.015870 0.090978 0.073776 -0.030333 -0.103064 -0.063355 10H 2s -1.197528 0.481049 0.343868 -0.449615 0.792305 -0.963969 10H 3s 0.213470 0.068779 -0.002625 0.209662 -0.365947 0.427762 10H 1pz -0.335902 0.142090 0.092980 -0.083618 0.169983 -0.197058 10H 1px 0.295676 -0.065607 -0.069151 0.213549 -0.361819 0.385162 10H 1py -0.194247 0.134941 0.154135 -0.015958 -0.052843 -0.048634 11H 1s 0.043167 -0.081626 -0.105984 0.018893 0.109822 -0.007299 11H 2s 0.161197 0.406855 0.483055 -0.466014 -0.036860 -0.652245 11H 3s -0.147249 0.011937 -0.146569 0.172456 -0.051026 0.394878 11H 1pz 0.096292 0.107207 0.080415 -0.093950 -0.060262 -0.079953 11H 1px 0.009420 0.059202 0.133389 -0.144214 0.067256 -0.197102 11H 1py 0.015565 -0.057690 -0.122450 0.156214 -0.090145 0.320708 12H 1s 0.016791 -0.020985 0.023714 -0.003559 -0.033911 -0.000242 12H 2s 0.097236 -0.629524 -0.278148 -0.455001 0.928885 -0.765798 12H 3s -0.020482 0.140885 0.006293 0.194115 -0.169377 0.427503 12H 1pz 0.003846 -0.100207 -0.072484 0.116728 -0.067216 0.253869 12H 1px -0.004110 -0.174035 -0.111675 -0.081649 0.282248 -0.132794 12H 1py 0.034903 -0.244193 -0.080818 -0.185598 0.319126 -0.293634 13H 1s -0.078551 0.043042 -0.074599 0.031269 0.048626 -0.019222 13H 2s 0.624280 0.639524 0.088655 -0.915232 -0.012195 0.006675 13H 3s -0.253909 -0.130144 -0.190080 0.350739 -0.001685 -0.099331 13H 1pz 0.130913 0.239040 -0.075792 -0.240729 0.012535 -0.031346 13H 1px -0.179296 -0.056290 -0.173934 0.340770 0.037086 -0.068886 13H 1py -0.129801 -0.135029 0.037974 0.127648 -0.013893 0.004101 14H 1s -0.039462 0.023734 -0.053306 0.026129 -0.000752 -0.021226 14H 2s 0.410095 -0.388772 0.872562 -0.855500 -0.149350 0.278094 14H 3s -0.113326 0.002837 -0.110990 0.263223 0.021661 -0.101684 14H 1pz 0.044095 -0.059534 0.166886 -0.133103 0.005563 0.045455 14H 1px 0.183207 -0.133653 0.334503 -0.370200 -0.071347 0.116973 14H 1py -0.059233 0.037190 -0.076649 -0.101439 -0.011640 -0.000879 15H 1s 0.068458 -0.083657 0.096310 -0.033550 -0.045481 0.039373 15H 2s -0.503946 0.086724 -0.306505 -0.347146 -0.001083 0.113023 15H 3s 0.159223 0.043990 0.040835 0.122808 0.016084 -0.088726 15H 1pz 0.079447 -0.049597 0.029355 0.215765 0.028373 -0.043337 15H 1px -0.026429 0.020982 -0.068009 -0.015551 -0.015458 -0.000491 15H 1py 0.159579 0.007807 0.084428 0.070679 -0.017893 -0.037160 16H 1s 0.027950 0.041452 -0.001618 -0.008843 0.035312 0.014662 16H 2s -0.171463 -0.394554 0.323488 0.392889 0.143865 0.391257 16H 3s 0.010735 0.012470 0.092939 0.015980 0.072003 0.071114 16H 1pz -0.064437 -0.162071 0.184748 0.235701 0.122644 0.228977 16H 1px 0.006976 -0.008462 -0.066834 -0.058970 -0.070409 -0.038078 16H 1py -0.049065 -0.095969 0.049826 0.024904 0.012645 0.055186 17H 1s 0.005028 0.047623 0.011939 -0.002316 0.045240 -0.007925 17H 2s 0.019441 -0.443585 0.002207 0.177789 -0.120036 0.316229 17H 3s -0.027480 -0.003803 -0.012664 0.005151 0.050383 0.038057 17H 1pz -0.005760 0.131795 0.009334 -0.073107 0.020816 -0.092598 17H 1px -0.031736 0.112615 -0.025925 -0.105800 -0.018110 -0.145599 17H 1py -0.005260 -0.124090 -0.008676 -0.008367 -0.058731 0.045547 18H 1s 0.006423 0.048357 -0.013442 -0.003153 0.043655 0.006599 18H 2s -0.028105 -0.414983 0.019750 0.172069 -0.172566 -0.297687 18H 3s -0.036117 0.006934 0.012852 0.002514 0.038783 -0.036991 18H 1pz -0.010038 -0.126744 0.017474 0.071295 -0.037900 -0.088951 18H 1px 0.010779 -0.097962 -0.017560 0.101539 -0.010388 -0.140308 18H 1py 0.019297 0.110817 -0.012396 0.012082 0.068744 0.035111 19H 1s 0.028466 0.040427 0.001347 -0.010145 0.033475 -0.015466 19H 2s -0.176054 -0.361422 -0.340840 0.395982 0.108664 -0.404276 19H 3s 0.007776 0.019488 -0.094951 0.017471 0.063809 -0.072900 19H 1pz 0.064757 0.142360 0.191871 -0.235560 -0.100125 0.236009 19H 1px -0.009121 0.014267 -0.071146 0.060244 0.061811 -0.042373 19H 1py 0.049931 0.090824 0.061423 -0.030493 -0.011984 0.062197 20H 1s 0.072540 -0.090485 -0.091572 -0.034894 -0.049862 -0.036271 20H 2s -0.519798 0.107726 0.303603 -0.345758 -0.004524 -0.104027 20H 3s 0.161316 0.038389 -0.036637 0.125444 0.028555 0.088390 20H 1pz -0.083485 0.055738 0.027935 -0.215347 -0.033749 -0.037353 20H 1px 0.026272 -0.018508 -0.068839 0.018559 0.012768 0.000349 20H 1py -0.163722 -0.002827 0.084211 -0.070124 0.016543 -0.035918 21H 1s -0.038758 0.024027 0.051251 0.026707 0.001293 0.020155 21H 2s 0.425211 -0.416173 -0.865522 -0.861794 -0.196302 -0.256871 21H 3s -0.114996 0.008175 0.111606 0.264360 0.036130 0.098749 21H 1pz -0.045459 0.061344 0.170537 0.135779 0.005451 0.044254 21H 1px -0.191040 0.147047 0.329236 0.371860 0.089709 0.107113 21H 1py 0.061852 -0.041890 -0.076303 0.101439 0.010645 -0.004368 22H 1s -0.083282 0.050127 0.070059 0.032150 0.049752 0.017080 22H 2s 0.628461 0.650746 -0.065097 -0.909031 -0.009457 0.019788 22H 3s -0.260403 -0.125098 0.183945 0.352062 0.015596 0.092725 22H 1pz -0.127640 -0.245493 -0.079724 0.236485 -0.017238 -0.037223 22H 1px 0.185489 0.051799 -0.165032 -0.341428 -0.045861 -0.058005 22H 1py 0.128843 0.140856 0.042100 -0.128678 0.016610 0.007199 23H 1s 0.016659 -0.023461 -0.021547 -0.003569 -0.033372 0.000664 23H 2s 0.096800 -0.612564 0.272207 -0.448043 0.914038 0.741639 23H 3s -0.032268 0.142675 -0.004618 0.186685 -0.175662 -0.422671 23H 1pz -0.002288 0.098071 -0.078194 -0.113813 0.074192 0.254751 23H 1px 0.001681 0.172104 -0.106794 0.078503 -0.273789 -0.118530 23H 1py -0.034432 0.239019 -0.080983 0.183162 -0.316087 -0.286636 24H 1s 0.043555 -0.081221 0.104205 0.017131 0.107115 0.003524 24H 2s 0.176301 0.405478 -0.498605 -0.459728 -0.034584 0.658847 24H 3s -0.154149 0.013299 0.147064 0.167151 -0.058319 -0.393469 24H 1pz -0.100627 -0.107946 0.083194 0.092434 0.060257 -0.082374 24H 1px -0.017211 -0.056183 0.141393 0.145787 -0.068378 -0.200163 24H 1py -0.015853 0.059485 -0.124778 -0.149912 0.090620 0.316789 25H 1s 0.013658 0.093207 -0.071562 -0.027619 -0.099308 0.067707 25H 2s -1.195870 0.481640 -0.408372 -0.431319 0.805621 0.942499 25H 3s 0.208123 0.064219 0.019000 0.204265 -0.365099 -0.416500 25H 1pz 0.336298 -0.142057 0.110457 0.079628 -0.179548 -0.195100 25H 1px -0.294236 0.066732 -0.090197 -0.208312 0.358582 0.373991 25H 1py 0.188565 -0.130134 0.158050 0.010841 0.049117 -0.045954 26O 1s 0.000594 0.002240 0.002951 0.004421 -0.007706 -0.001268 26O 2s -0.001194 0.010253 0.011534 0.014537 -0.026328 -0.006591 26O 3s 0.071724 -0.113906 -0.093211 -0.087770 0.167124 0.084546 26O 4s -0.490825 0.471672 0.313898 0.008500 -0.315207 -0.359780 26O 5s -0.571047 -0.755044 -0.866059 1.162204 1.955567 1.131952 26O 1pz -0.106755 -0.052675 0.012058 -0.046086 -0.108607 -0.008262 26O 1px -0.027746 -0.174809 -0.103270 -0.076889 0.108963 -0.045604 26O 1py 0.108312 0.345308 0.183072 0.051453 -0.076182 0.027588 26O 2pz 0.137516 0.161410 0.056235 0.037608 0.014309 -0.034197 26O 2px 0.250791 0.171621 0.171019 0.006665 -0.286179 0.045951 26O 2py -0.082265 -0.463554 -0.198332 -0.115503 0.028723 -0.080336 26O 3pz -0.228171 -0.037415 -0.175667 0.348475 0.097088 0.190204 26O 3px 0.133879 -0.299255 -0.122134 -0.142278 -0.509281 -0.229868 26O 3py 0.043541 0.101460 -0.074635 0.240928 -0.115874 0.060161 26O 1dz2 0.004998 -0.003231 -0.002909 0.004752 0.007122 0.008268 26O 1dxz -0.001063 -0.005747 -0.004381 0.000110 0.000824 0.003538 26O 1dyz 0.003027 -0.007594 -0.009930 0.004487 0.000231 0.013899 26O 1dx2y2 0.000949 -0.001468 -0.002390 -0.003699 0.004577 -0.006231 26O 1dxy 0.002561 0.000401 -0.001727 0.000876 -0.001363 0.003640 26O 2dz2 0.108498 -0.064365 -0.104597 0.098017 0.035578 0.104100 26O 2dxz -0.002644 -0.146859 -0.125398 0.058392 0.150798 0.086400 26O 2dyz 0.068125 -0.188866 -0.224806 0.134813 0.076023 0.202270 26O 2dx2y2 -0.013754 0.139982 0.057757 -0.026742 0.033962 -0.069805 26O 2dxy 0.000958 -0.071037 -0.071977 0.043080 0.076623 0.085600 26O 1f0 -0.004659 -0.002920 -0.003305 -0.004090 0.011464 -0.010048 26O 1f+1 0.006541 -0.003720 -0.008050 0.009812 -0.004875 0.009264 26O 1f-1 -0.007274 0.010017 0.006321 -0.001886 -0.008925 -0.010069 26O 1f+2 -0.000821 -0.001886 -0.001731 0.002939 0.000158 0.007216 26O 1f-2 0.009947 -0.000664 0.000578 0.005589 -0.014346 0.010167 26O 1f+3 0.000779 -0.003391 0.002404 0.008775 0.008547 0.006361 26O 1f-3 -0.002513 0.002274 -0.005168 -0.000366 0.001636 -0.001292 27O 1s -0.003308 -0.001273 -0.004223 0.006362 -0.003490 -0.003746 27O 2s -0.010675 -0.001722 -0.016252 0.020753 -0.011556 -0.012930 27O 3s 0.054592 -0.035245 0.145061 -0.113317 0.071774 0.092549 27O 4s -0.045892 0.319233 -0.520476 0.013090 -0.015807 -0.201903 27O 5s 1.490476 -0.143377 0.916836 -0.325083 -0.811919 0.291047 27O 1pz -0.269597 0.045119 -0.224531 0.064330 -0.129212 -0.126252 27O 1px -0.021242 -0.021114 0.022440 -0.066862 -0.014265 0.009993 27O 1py -0.088241 -0.066491 -0.067848 -0.017955 -0.188646 -0.061185 27O 2pz 0.374255 -0.024110 0.278120 -0.078915 0.209631 0.161744 27O 2px -0.123887 -0.039352 0.037280 0.149104 0.072550 -0.000306 27O 2py 0.230136 0.016249 0.167772 -0.036189 0.221304 0.120367 27O 3pz -0.000244 -0.061310 0.125569 0.073228 -0.248406 -0.049262 27O 3px -0.153119 -0.340233 0.119073 0.222095 -0.174066 0.038740 27O 3py -0.295484 0.172128 -0.218174 -0.193582 0.040629 -0.073206 27O 1dz2 0.001413 0.003895 -0.003198 0.001499 0.001391 0.000161 27O 1dxz -0.000874 -0.000389 -0.002032 0.004433 -0.002657 -0.001848 27O 1dyz -0.001521 0.002476 -0.004391 -0.003819 0.001611 0.000905 27O 1dx2y2 -0.003982 0.008942 -0.001812 -0.002296 0.000611 -0.002866 27O 1dxy -0.005517 0.002822 -0.005018 -0.001814 -0.000411 -0.001803 27O 2dz2 -0.009399 0.031876 -0.042742 -0.002501 0.032940 0.002391 27O 2dxz 0.067514 -0.047308 0.084805 0.025119 -0.068044 0.026237 27O 2dyz -0.039618 0.056959 -0.122984 -0.098376 0.049254 -0.001382 27O 2dx2y2 -0.036033 0.146944 -0.103292 -0.067878 0.071487 -0.028613 27O 2dxy -0.168466 0.077946 -0.173116 0.021209 0.101804 -0.059012 27O 1f0 -0.003179 -0.001927 0.000484 -0.001051 -0.003316 0.001486 27O 1f+1 0.002417 -0.001741 -0.004120 -0.003204 0.000075 0.002767 27O 1f-1 -0.002364 -0.002023 0.005396 0.003717 -0.002067 -0.001336 27O 1f+2 0.005003 -0.007995 0.007125 0.003667 -0.003775 -0.002202 27O 1f-2 0.004521 0.003049 0.003070 -0.008703 -0.001993 0.002147 27O 1f+3 -0.006313 0.003648 -0.004707 0.012354 -0.000588 -0.004611 27O 1f-3 -0.006774 0.000243 -0.011150 0.013109 0.007187 0.000543 28O 1s -0.002674 0.001777 0.006049 0.004236 -0.007533 0.004699 28O 2s -0.004201 0.000671 0.017869 0.014272 -0.023155 0.015937 28O 3s -0.045943 0.084350 -0.049476 -0.082981 0.098168 -0.103692 28O 4s 0.494100 -0.624261 -0.384834 -0.034404 0.089163 0.222527 28O 5s -1.441825 0.095153 -0.090553 0.840093 1.526517 0.045873 28O 1pz -0.111436 0.017856 0.061578 -0.105751 -0.152710 -0.053559 28O 1px 0.027608 -0.097851 0.009782 0.005948 -0.105410 0.091610 28O 1py 0.236532 -0.010475 -0.109619 0.070564 0.226433 0.017570 28O 2pz 0.184245 0.137987 0.122219 0.110338 0.026004 0.008813 28O 2px 0.107039 -0.099764 -0.242117 0.021477 0.331632 -0.062592 28O 2py -0.276680 0.001268 0.179574 -0.114097 -0.380858 -0.046653 28O 3pz 0.005407 -0.384447 0.068318 0.248367 -0.331477 0.058218 28O 3px -0.117835 -0.058154 -0.039179 0.092119 0.468732 0.132266 28O 3py 0.184230 -0.169923 0.038320 0.312800 0.258905 0.151005 28O 1dz2 -0.007148 0.007778 -0.001835 0.001228 -0.004511 0.004766 28O 1dxz 0.005951 -0.004372 -0.006543 0.002725 0.000702 0.005573 28O 1dyz -0.008031 0.002712 -0.005167 0.004632 0.003337 0.010381 28O 1dx2y2 0.002062 0.007462 0.004588 -0.002517 -0.000866 -0.005291 28O 1dxy -0.000762 -0.001509 0.000469 -0.001070 -0.000602 0.002591 28O 2dz2 -0.206571 0.104736 0.073539 0.101415 0.012514 0.037545 28O 2dxz 0.058543 0.021471 0.028652 0.016619 -0.109347 0.022989 28O 2dyz -0.176679 0.051872 0.040313 0.134504 0.047384 0.071007 28O 2dx2y2 0.155869 0.023622 -0.012710 -0.032073 -0.018663 0.004999 28O 2dxy 0.104317 -0.054523 -0.009645 0.006070 -0.025701 0.039813 28O 1f0 0.006435 0.006002 0.007937 0.006675 -0.008679 0.011352 28O 1f+1 -0.005909 -0.002314 -0.001159 -0.004197 0.010461 -0.011860 28O 1f-1 0.010889 -0.005052 0.002898 0.001319 -0.004141 -0.002027 28O 1f+2 -0.008146 0.011829 0.008149 -0.000799 -0.004984 -0.000274 28O 1f-2 -0.000326 -0.001770 0.002464 -0.006475 0.011657 -0.012374 28O 1f+3 -0.004737 0.007765 0.011915 -0.001400 -0.005755 -0.005119 28O 1f-3 0.003207 0.000558 -0.003096 -0.001200 -0.000762 -0.000004 29O 1s 0.007599 -0.000404 0.006114 0.021055 0.006867 0.009892 29O 2s 0.026533 0.002831 0.019057 0.068531 0.023241 0.030176 29O 3s -0.185916 -0.118735 -0.080923 -0.365456 -0.145873 -0.111602 29O 4s 0.292420 0.428899 0.034126 0.310593 0.270790 0.015007 29O 5s -0.043605 0.134750 -0.308133 -0.436043 -0.524428 -0.655132 29O 1pz 0.007413 0.022284 0.122880 0.043073 0.078417 0.087062 29O 1px -0.007255 -0.078178 -0.104599 -0.114608 -0.215859 -0.171014 29O 1py -0.140704 -0.211454 -0.075091 -0.216579 -0.173968 -0.069641 29O 2pz -0.084161 -0.081343 -0.042550 0.065366 -0.004978 -0.027054 29O 2px 0.000805 0.243235 0.140197 0.102348 0.333301 0.149424 29O 2py 0.189836 0.145430 0.176259 0.455024 0.286837 0.266927 29O 3pz -0.046345 -0.006129 0.225917 0.112865 0.070068 0.091006 29O 3px 0.023791 0.091060 -0.030624 -0.112840 0.004306 -0.088265 29O 3py -0.143742 -0.319134 0.055559 -0.057635 -0.093265 0.136942 29O 1dz2 -0.002591 -0.003580 0.002813 0.005086 0.002545 0.003437 29O 1dxz 0.001904 -0.003747 -0.001473 0.002895 -0.000082 0.004659 29O 1dyz -0.003159 -0.001423 0.001246 0.003022 0.003548 0.001809 29O 1dx2y2 -0.002881 0.000332 -0.003081 -0.005328 -0.003016 -0.003430 29O 1dxy -0.000361 0.004343 -0.002701 -0.001161 0.002213 -0.001279 29O 2dz2 0.023790 0.066468 -0.069430 -0.037465 -0.034938 -0.076975 29O 2dxz 0.010640 0.032031 -0.029680 -0.009089 0.001558 -0.009796 29O 2dyz 0.015367 -0.009692 -0.077877 -0.056718 -0.044746 -0.033790 29O 2dx2y2 -0.012137 0.005884 0.018710 0.039632 0.023543 0.021881 29O 2dxy 0.006209 -0.057678 -0.031585 0.037112 -0.002579 0.052155 29O 1f0 -0.002424 -0.011825 0.007743 0.009726 0.001024 0.010334 29O 1f+1 0.000155 0.004063 -0.002928 -0.004251 -0.001910 -0.006068 29O 1f-1 -0.005873 -0.017227 0.010135 0.011899 -0.000893 0.010756 29O 1f+2 0.003406 0.002562 -0.003445 -0.002038 -0.002962 -0.002545 29O 1f-2 -0.000375 -0.013966 -0.004611 0.004320 -0.006072 0.006459 29O 1f+3 0.002996 0.002775 0.002648 0.005638 0.002646 0.001497 29O 1f-3 -0.000558 0.003151 0.002828 -0.001776 -0.000482 -0.005014 30O 1s -0.002726 0.002991 -0.000868 0.005798 -0.003401 0.002114 30O 2s -0.009002 0.006097 0.000147 0.019186 -0.012917 0.008439 30O 3s 0.049480 0.020959 -0.068195 -0.103252 0.112692 -0.080421 30O 4s -0.081715 -0.379295 0.567026 -0.020693 -0.284348 0.283700 30O 5s 1.652797 0.604188 -0.289725 -0.229036 -0.432862 -0.220864 30O 1pz -0.118750 -0.192391 0.198130 -0.058630 -0.147829 -0.012069 30O 1px -0.056984 -0.116018 0.060827 0.054122 -0.056470 0.007675 30O 1py -0.033449 -0.148206 0.230659 -0.011510 -0.148210 0.041000 30O 2pz 0.058069 0.324240 -0.395748 0.121733 0.270731 -0.026986 30O 2px 0.143063 0.037569 0.094365 -0.102798 -0.015198 0.039786 30O 2py 0.172147 0.215958 -0.192786 -0.045485 0.108697 -0.028953 30O 3pz -0.046513 -0.298622 0.066268 0.172552 -0.362464 0.014701 30O 3px 0.310430 0.083548 -0.011413 -0.013344 -0.065476 -0.071021 30O 3py -0.120483 0.031159 0.351207 -0.301428 0.249465 -0.007783 30O 1dz2 0.003487 -0.004261 0.008426 -0.000653 -0.001870 0.001413 30O 1dxz 0.005099 0.000252 0.004381 0.002154 0.001701 0.001542 30O 1dyz -0.006033 -0.005507 0.002218 0.000881 -0.001112 0.001572 30O 1dx2y2 0.001047 -0.004153 0.001198 -0.000737 0.003150 0.001500 30O 1dxy -0.001086 0.001307 -0.007570 -0.003466 0.002309 0.000079 30O 2dz2 0.096757 -0.008851 0.061097 -0.043693 0.040405 0.033481 30O 2dxz 0.049766 -0.006074 0.021822 0.019294 -0.012345 0.010875 30O 2dyz -0.184755 -0.081645 0.109411 -0.028318 0.016181 0.025857 30O 2dx2y2 -0.097926 -0.122636 0.127926 -0.009281 0.075354 0.042592 30O 2dxy 0.039473 0.010386 0.078915 -0.092524 0.012217 0.020130 30O 1f0 0.005720 0.000124 0.008244 -0.004977 -0.003136 0.004040 30O 1f+1 -0.000883 -0.005744 -0.003017 0.002697 0.004201 0.004434 30O 1f-1 0.001450 0.000218 -0.004741 -0.003601 -0.000575 -0.001610 30O 1f+2 0.002483 0.010669 -0.004173 -0.009462 -0.004801 -0.003968 30O 1f-2 -0.003878 0.004846 -0.007621 0.008483 0.004642 -0.003853 30O 1f+3 0.002479 -0.001623 0.006283 -0.011753 -0.003706 0.002475 30O 1f-3 0.004911 -0.001116 0.005947 -0.010686 0.003788 0.005886 31O 1s -0.002892 0.003360 0.000708 0.005665 -0.003598 -0.002234 31O 2s -0.009484 0.007176 -0.000646 0.018710 -0.013794 -0.008810 31O 3s 0.050525 0.017575 0.070250 -0.099788 0.122539 0.081539 31O 4s -0.068675 -0.399676 -0.568241 -0.028559 -0.325194 -0.280877 31O 5s 1.661501 0.596325 0.396885 -0.209814 -0.368222 0.282625 31O 1pz 0.114059 0.194894 0.191583 0.057287 0.152827 -0.024266 31O 1px 0.053178 0.121672 0.061176 -0.052819 0.057092 0.007448 31O 1py 0.031329 0.148903 0.223109 0.011655 0.159445 0.030807 31O 2pz -0.046640 -0.335811 -0.378739 -0.120587 -0.282753 -0.005233 31O 2px -0.145086 -0.034098 0.087828 0.101123 0.021358 0.035181 31O 2py -0.176100 -0.206439 -0.190492 0.045402 -0.122596 -0.020753 31O 3pz 0.045546 0.299492 0.060835 -0.166371 0.372704 0.008722 31O 3px -0.316626 -0.074230 -0.038139 0.003766 0.043312 -0.086853 31O 3py 0.124023 -0.037640 0.349559 0.287195 -0.246027 -0.018679 31O 1dz2 0.003464 -0.004297 -0.008498 -0.000673 -0.002359 -0.001350 31O 1dxz 0.005182 -0.000159 -0.004474 0.002033 0.001557 -0.001803 31O 1dyz -0.006161 -0.005419 -0.002305 0.000963 -0.001265 -0.001619 31O 1dx2y2 0.000935 -0.003878 -0.001278 -0.000686 0.002776 -0.001486 31O 1dxy -0.001357 0.001843 0.007433 -0.003396 0.002287 -0.000098 31O 2dz2 0.095698 -0.007798 -0.061098 -0.044841 0.035212 -0.035023 31O 2dxz 0.049546 -0.006732 -0.022749 0.017786 -0.014218 -0.012307 31O 2dyz -0.183821 -0.084988 -0.117285 -0.027979 0.011203 -0.029061 31O 2dx2y2 -0.094942 -0.128330 -0.134869 -0.009256 0.067152 -0.046755 31O 2dxy 0.040925 0.009231 -0.077071 -0.090607 0.009835 -0.017342 31O 1f0 -0.006242 0.000597 0.007856 0.005106 0.003468 0.003750 31O 1f+1 0.000817 0.005740 -0.003126 -0.002414 -0.003807 0.004680 31O 1f-1 -0.001169 -0.000489 -0.005052 0.003556 0.000479 -0.001766 31O 1f+2 -0.002386 -0.010823 -0.004271 0.009358 0.004497 -0.004326 31O 1f-2 0.004022 -0.004978 -0.007291 -0.008548 -0.005245 -0.003503 31O 1f+3 -0.002425 0.001516 0.006170 0.011712 0.004279 0.002126 31O 1f-3 -0.005069 0.001280 0.005789 0.010886 -0.003261 0.005939 32O 1s 0.007221 0.000236 -0.005860 0.020740 0.005122 -0.010272 32O 2s 0.025555 0.004597 -0.018190 0.067460 0.017751 -0.031492 32O 3s -0.186876 -0.120762 0.075527 -0.358764 -0.121293 0.120699 32O 4s 0.311272 0.409201 -0.028283 0.299484 0.254611 -0.030062 32O 5s -0.020375 0.105000 0.308413 -0.418876 -0.430826 0.664041 32O 1pz -0.014743 -0.029867 0.127922 -0.047950 -0.074309 0.092159 32O 1px -0.005839 0.091595 -0.103603 0.108547 0.181544 -0.174104 32O 1py 0.146587 0.205872 -0.068528 0.211687 0.155944 -0.078161 32O 2pz 0.080488 0.082462 -0.037092 -0.057134 0.000359 -0.027004 32O 2px 0.002964 -0.254234 0.143232 -0.094043 -0.299761 0.157045 32O 2py -0.182888 -0.152940 0.168115 -0.448588 -0.240082 0.279828 32O 3pz 0.035441 -0.009048 0.237841 -0.120667 -0.073370 0.098162 32O 3px -0.045567 -0.072187 -0.025244 0.112813 -0.025537 -0.085278 32O 3py 0.160774 0.302353 0.060361 0.054254 0.103290 0.129856 32O 1dz2 -0.002542 -0.003217 -0.002971 0.005116 0.002143 -0.003610 32O 1dxz 0.001513 -0.003654 0.001835 0.002642 -0.000847 -0.004487 32O 1dyz -0.002903 -0.001404 -0.001710 0.003128 0.003566 -0.002262 32O 1dx2y2 -0.002915 0.000181 0.003127 -0.005287 -0.002529 0.003633 32O 1dxy 0.000016 0.004050 0.002572 -0.001143 0.002568 0.001044 32O 2dz2 0.024181 0.057394 0.072589 -0.034804 -0.025329 0.077415 32O 2dxz 0.019706 0.023589 0.026874 -0.009373 0.010872 0.006801 32O 2dyz 0.008134 -0.006655 0.086518 -0.059430 -0.048449 0.041958 32O 2dx2y2 -0.014710 0.009634 -0.020462 0.041072 0.022207 -0.023603 32O 2dxy -0.001541 -0.052718 0.035276 0.036433 -0.009430 -0.049993 32O 1f0 0.002910 0.009720 0.007079 -0.009013 0.000403 0.009556 32O 1f+1 -0.000739 -0.004300 -0.002814 0.004484 0.000794 -0.006472 32O 1f-1 0.006358 0.016544 0.010657 -0.012517 0.001989 0.011312 32O 1f+2 -0.003819 -0.002765 -0.003984 0.002669 0.002468 -0.003262 32O 1f-2 0.001891 0.013025 -0.005597 -0.003686 0.007350 0.005518 32O 1f+3 -0.003483 -0.002113 0.002474 -0.005697 -0.002206 0.002028 32O 1f-3 -0.000205 -0.002629 0.003231 0.001392 -0.000419 -0.004621 33O 1s -0.002755 0.001823 -0.006005 0.004159 -0.007875 -0.004561 33O 2s -0.004455 0.000881 -0.017585 0.013965 -0.024445 -0.015556 33O 3s -0.044458 0.081643 0.046120 -0.079669 0.108755 0.102809 33O 4s 0.494419 -0.611219 0.400666 -0.048888 0.059313 -0.225639 33O 5s -1.457658 0.081397 -0.011684 0.837424 1.531587 -0.121938 33O 1pz 0.105021 -0.010780 0.057292 0.102394 0.140746 -0.061626 33O 1px -0.031257 0.101791 0.002563 -0.004641 0.107098 0.088260 33O 1py -0.229893 0.006935 -0.106269 -0.065948 -0.223307 0.026625 33O 2pz -0.174455 -0.147846 0.121412 -0.111031 -0.014507 0.012449 33O 2px -0.101462 0.091450 -0.232492 -0.017181 -0.326618 -0.051095 33O 2py 0.268033 0.002110 0.170668 0.106406 0.375671 -0.062239 33O 3pz -0.031272 0.418786 0.053026 -0.245449 0.310294 0.052872 33O 3px 0.129117 0.055453 -0.024295 -0.092253 -0.459852 0.150986 33O 3py -0.189726 0.183538 0.045392 -0.302335 -0.247806 0.167797 33O 1dz2 -0.006907 0.007558 0.001486 0.001219 -0.004178 -0.004710 33O 1dxz 0.006046 -0.004359 0.006600 0.002537 0.000359 -0.005688 33O 1dyz -0.007999 0.002510 0.004855 0.004291 0.003139 -0.010495 33O 1dx2y2 0.001982 0.007438 -0.004742 -0.002352 -0.000588 0.005268 33O 1dxy -0.000669 -0.001629 -0.000401 -0.001102 -0.000823 -0.002584 33O 2dz2 -0.204713 0.100661 -0.084612 0.101638 0.016419 -0.040437 33O 2dxz 0.061497 0.018404 -0.025219 0.016039 -0.106821 -0.019496 33O 2dyz -0.175936 0.045074 -0.046380 0.134641 0.051884 -0.075530 33O 2dx2y2 0.155070 0.024608 0.016176 -0.033245 -0.020014 -0.004147 33O 2dxy 0.104177 -0.054309 0.014350 0.004425 -0.030886 -0.038520 33O 1f0 -0.006586 -0.005665 0.007688 -0.006265 0.009038 0.011061 33O 1f+1 0.005706 0.002330 -0.000610 0.004093 -0.010584 -0.011418 33O 1f-1 -0.010704 0.004661 0.002283 -0.001514 0.004223 -0.002169 33O 1f+2 0.007825 -0.011558 0.008386 0.000633 0.004825 -0.000392 33O 1f-2 0.000295 0.001469 0.003020 0.006325 -0.011676 -0.012144 33O 1f+3 0.004580 -0.007650 0.012051 0.001294 0.005395 -0.005375 33O 1f-3 -0.002885 -0.000734 -0.003128 0.001166 0.000857 -0.000085 34O 1s -0.003305 -0.001163 0.004236 0.006398 -0.002810 0.003794 34O 2s -0.010706 -0.001256 0.016288 0.020874 -0.009219 0.013098 34O 3s 0.055355 -0.039657 -0.145471 -0.113972 0.055891 -0.093967 34O 4s -0.053401 0.339415 0.517203 0.013244 0.013237 0.201696 34O 5s 1.521901 -0.233373 -0.818884 -0.337388 -0.845162 -0.233222 34O 1pz 0.279115 -0.058263 -0.228164 -0.070032 0.114054 -0.134164 34O 1px 0.021752 0.021156 0.021336 0.066536 0.018239 0.008168 34O 1py 0.086077 0.071626 -0.075772 0.016021 0.177029 -0.071408 34O 2pz -0.384878 0.038458 0.285149 0.086495 -0.187906 0.174055 34O 2px 0.124744 0.035183 0.048099 -0.150659 -0.076470 0.007304 34O 2py -0.230643 -0.016682 0.172373 0.040754 -0.201083 0.130679 34O 3pz 0.003591 0.059479 0.106224 -0.079321 0.240033 -0.067354 34O 3px 0.157128 0.317672 0.122286 -0.225135 0.183081 0.040107 34O 3py 0.296332 -0.172772 -0.199460 0.190914 -0.048225 -0.070704 34O 1dz2 0.001450 0.003922 0.003056 0.001524 0.001653 -0.000284 34O 1dxz -0.000918 -0.000303 0.002182 0.004546 -0.002386 0.001930 34O 1dyz -0.001694 0.002884 0.004258 -0.003842 0.001401 -0.000917 34O 1dx2y2 -0.004168 0.009156 0.001475 -0.002137 0.000760 0.002788 34O 1dxy -0.005676 0.003043 0.004881 -0.001770 -0.000127 0.001880 34O 2dz2 -0.010317 0.034967 0.039427 -0.001880 0.034772 -0.005007 34O 2dxz 0.071696 -0.054422 -0.080818 0.023905 -0.070012 -0.025414 34O 2dyz -0.043838 0.065698 0.119588 -0.098946 0.049039 0.001021 34O 2dx2y2 -0.039040 0.150688 0.098990 -0.067320 0.075354 0.026317 34O 2dxy -0.173926 0.090210 0.164682 0.022941 0.108901 0.054023 34O 1f0 0.002991 0.002143 0.000340 0.001081 0.003220 0.001380 34O 1f+1 -0.002513 0.002123 -0.004524 0.003347 -0.000066 0.002730 34O 1f-1 0.002196 0.002244 0.005538 -0.003778 0.001973 -0.001312 34O 1f+2 -0.005177 0.008394 0.007070 -0.003588 0.003919 -0.002329 34O 1f-2 -0.004634 -0.002994 0.002722 0.008761 0.002089 0.001798 34O 1f+3 0.006292 -0.003510 -0.004425 -0.012410 0.000090 -0.004379 34O 1f-3 0.007015 -0.000440 -0.010847 -0.012967 -0.007613 0.001226 35O 1s 0.000670 0.002074 -0.002782 0.004527 -0.007186 0.001472 35O 2s -0.000884 0.009584 -0.011094 0.014949 -0.024405 0.007286 35O 3s 0.068384 -0.107442 0.093273 -0.091413 0.150951 -0.088671 35O 4s -0.476384 0.448451 -0.329534 0.022071 -0.264985 0.368339 35O 5s -0.572166 -0.742459 0.800244 1.124071 1.846988 -1.233492 35O 1pz 0.115906 0.044906 0.004806 0.041118 0.109205 -0.015146 35O 1px 0.029982 0.171327 -0.106039 0.076759 -0.106382 -0.044639 35O 1py -0.113820 -0.342255 0.192710 -0.049772 0.075741 0.029016 35O 2pz -0.148177 -0.151775 0.063952 -0.033240 -0.020173 -0.030117 35O 2px -0.249047 -0.173284 0.162935 -0.006829 0.286043 0.035941 35O 2py 0.092335 0.456155 -0.217905 0.111415 -0.027893 -0.086517 35O 3pz 0.244057 0.022265 -0.169633 -0.346770 -0.084214 0.197956 35O 3px -0.130866 0.295952 -0.144107 0.138114 0.483430 -0.253765 35O 3py -0.038515 -0.107337 -0.069655 -0.236061 0.116958 0.061082 35O 1dz2 0.004991 -0.003414 0.002939 0.004569 0.006733 -0.008619 35O 1dxz -0.001180 -0.005654 0.004432 0.000115 0.000798 -0.003628 35O 1dyz 0.002901 -0.007393 0.010160 0.004163 -0.000253 -0.013945 35O 1dx2y2 0.000778 -0.001117 0.002394 -0.003515 0.004716 0.006093 35O 1dxy 0.002522 0.000612 0.001616 0.000767 -0.001433 -0.003689 35O 2dz2 0.105751 -0.062667 0.106857 0.094231 0.031338 -0.106667 35O 2dxz 0.000696 -0.147319 0.122344 0.054430 0.144587 -0.093747 35O 2dyz 0.066051 -0.184284 0.227798 0.128427 0.064575 -0.207548 35O 2dx2y2 -0.014139 0.140795 -0.060853 -0.024227 0.037014 0.068192 35O 2dxy 0.000221 -0.068902 0.069518 0.039917 0.071949 -0.089265 35O 1f0 0.004690 0.002822 -0.002969 0.004038 -0.011439 -0.009621 35O 1f+1 -0.006321 0.003791 -0.008550 -0.009511 0.004834 0.009226 35O 1f-1 0.007093 -0.009807 0.006532 0.001566 0.008097 -0.010441 35O 1f+2 0.000872 0.001929 -0.001732 -0.002822 -0.000055 0.007183 35O 1f-2 -0.009914 0.000676 -0.000207 -0.005607 0.014534 0.009762 35O 1f+3 -0.000835 0.003489 0.002100 -0.008643 -0.007858 0.006937 35O 1f-3 0.002210 -0.002076 -0.004692 0.000304 -0.001817 -0.001091 462 463 464 465 466 467 2.71587 2.71995 2.72632 2.75099 2.75183 2.75727 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s -0.000710 -0.001659 -0.001186 -0.000196 0.000759 -0.000028 0Rh 2s 0.005089 0.014304 0.008451 0.001449 -0.001460 0.000790 0Rh 3s -0.001105 -0.001113 -0.001870 -0.000275 0.003601 0.000312 0Rh 4s -0.026562 -0.074539 -0.043671 -0.007404 0.007537 -0.004153 0Rh 5s 0.051055 0.151359 0.077231 0.011835 0.003882 0.010686 0Rh 6s -0.033774 -0.122300 -0.015162 0.010502 -0.077070 -0.016439 0Rh 7s 0.100768 0.226577 0.332443 -0.183874 0.332087 0.059506 0Rh 8s -0.130181 0.097443 -0.245899 0.081005 0.089273 0.010666 0Rh 1pz 0.004320 0.001488 0.003238 -0.007057 0.005634 0.002495 0Rh 1px 0.003859 0.000084 -0.004110 -0.004301 0.000163 -0.001321 0Rh 1py -0.009779 -0.001697 0.003430 0.000075 0.007206 0.006641 0Rh 2pz -0.015301 -0.005213 -0.012413 0.026378 -0.020470 -0.008784 0Rh 2px -0.013823 -0.000764 0.016845 0.015348 -0.000500 0.004849 0Rh 2py 0.035081 0.006249 -0.012415 0.000098 -0.026150 -0.024907 0Rh 3pz 0.009645 0.001795 0.027713 -0.045157 0.024373 0.003777 0Rh 3px 0.011808 0.010357 -0.059152 -0.011283 -0.000862 -0.006233 0Rh 3py -0.031193 -0.008843 0.013318 -0.008047 0.029010 0.043296 0Rh 4pz 0.068481 0.030865 -0.025413 -0.005466 0.038808 0.050180 0Rh 4px 0.050161 -0.036436 0.124742 -0.066477 0.003233 -0.011248 0Rh 4py -0.121584 -0.009073 0.033527 0.034205 0.069100 0.009566 0Rh 5pz -0.124170 -0.056655 0.049704 0.031119 -0.037323 -0.105085 0Rh 5px -0.095656 0.057961 -0.249523 0.137404 0.016601 0.032880 0Rh 5py 0.225420 0.020013 -0.065757 -0.068975 -0.131901 -0.069202 0Rh 6pz 0.060907 -0.053253 -0.320620 -0.259156 -0.279307 0.112622 0Rh 6px 0.080689 -0.001348 0.719465 -0.376642 -0.192285 -0.275933 0Rh 6py -0.084833 0.198138 0.049545 0.026937 -0.134616 0.506186 0Rh 1dz2 0.006075 0.019156 -0.011664 0.005098 0.007062 0.007965 0Rh 1dxz -0.009123 0.023441 -0.019931 -0.007721 0.012594 0.000041 0Rh 1dyz -0.010580 -0.000374 0.008000 0.007477 0.005851 -0.010393 0Rh 1dx2y2 -0.015193 -0.022940 0.020972 -0.004137 -0.011915 -0.008134 0Rh 1dxy 0.012068 0.004158 -0.003842 -0.006465 0.002631 0.008744 0Rh 2dz2 0.002128 -0.000325 -0.000505 -0.002173 -0.002682 0.001846 0Rh 2dxz -0.000983 -0.000182 -0.000150 -0.001144 -0.000066 -0.000901 0Rh 2dyz 0.002091 -0.002371 -0.001439 -0.002880 -0.004055 0.002151 0Rh 2dx2y2 -0.001347 0.000809 0.000202 0.001155 0.000463 0.000823 0Rh 2dxy 0.002201 0.001393 -0.001595 -0.001329 -0.001056 0.001536 0Rh 3dz2 -0.027398 -0.054213 0.036652 -0.004939 -0.008369 -0.031878 0Rh 3dxz 0.031078 -0.067558 0.059234 0.027882 -0.036573 0.003953 0Rh 3dyz 0.021140 0.012032 -0.016778 -0.008653 0.001673 0.020574 0Rh 3dx2y2 0.050346 0.062956 -0.062149 0.006987 0.032652 0.020067 0Rh 3dxy -0.045227 -0.018396 0.018451 0.025158 -0.002823 -0.032720 0Rh 4dz2 0.035432 -0.000306 -0.017093 -0.033373 -0.040160 0.032934 0Rh 4dxz -0.018184 0.004275 -0.013234 -0.019636 0.002373 -0.013733 0Rh 4dyz 0.031059 -0.039028 -0.019893 -0.043293 -0.066188 0.031252 0Rh 4dx2y2 -0.025603 0.007327 0.009978 0.014767 0.005340 0.009980 0Rh 4dxy 0.038853 0.021839 -0.025653 -0.024722 -0.016969 0.026902 0Rh 5dz2 -0.058283 0.203138 -0.018679 0.166330 0.228129 -0.044793 0Rh 5dxz -0.019020 0.245274 -0.137873 -0.030044 0.120073 0.051537 0Rh 5dyz -0.223434 0.158196 0.153095 0.204471 0.327418 -0.211939 0Rh 5dx2y2 -0.073302 -0.293879 0.202262 -0.073400 -0.168053 -0.117482 0Rh 5dxy -0.015900 -0.044835 0.052729 0.038157 0.099416 0.021717 0Rh 1f0 0.070266 -0.000037 0.001421 0.015146 -0.005591 0.022043 0Rh 1f+1 -0.000010 -0.029650 -0.018939 -0.025200 -0.033257 -0.006976 0Rh 1f-1 0.038938 -0.018832 -0.039791 0.014765 -0.117746 0.035309 0Rh 1f+2 0.073688 -0.019119 -0.021222 0.003213 0.099424 0.007247 0Rh 1f-2 0.100049 -0.035782 -0.025695 -0.015338 -0.049655 0.055699 0Rh 1f+3 -0.074196 -0.012875 -0.025178 -0.011415 -0.014492 -0.036876 0Rh 1f-3 0.032953 -0.029617 -0.015542 -0.025243 -0.005645 0.021619 1Rh 1s 0.000756 0.001537 -0.001230 -0.000615 0.000495 -0.000040 1Rh 2s -0.005423 -0.013424 0.008895 0.001089 -0.001323 -0.000779 1Rh 3s 0.001172 0.000928 -0.001858 -0.002976 0.002119 -0.000712 1Rh 4s 0.028288 0.069989 -0.045983 -0.005677 0.006738 0.004104 1Rh 5s -0.054155 -0.143182 0.082108 -0.003399 -0.000767 -0.012842 1Rh 6s 0.034589 0.120092 -0.019574 0.056404 -0.055435 0.027248 1Rh 7s -0.108928 -0.207753 0.337259 -0.178734 0.341107 -0.111278 1Rh 8s 0.136437 -0.110707 -0.235412 -0.122646 -0.022538 -0.013001 1Rh 1pz 0.004220 0.001444 -0.003058 0.001758 -0.009397 0.003470 1Rh 1px 0.003740 0.000447 0.004273 -0.001802 -0.003909 -0.000860 1Rh 1py -0.009821 -0.001865 -0.003587 0.006502 -0.003008 0.005994 1Rh 2pz -0.014953 -0.005010 0.011753 -0.006018 0.034810 -0.012381 1Rh 2px -0.013338 -0.002214 -0.017413 0.006410 0.013928 0.003202 1Rh 2py 0.035241 0.006854 0.012971 -0.023419 0.011193 -0.022525 1Rh 3pz 0.009495 0.000656 -0.026837 0.000183 -0.053782 0.008984 1Rh 3px 0.010170 0.014748 0.059249 -0.003829 -0.010069 -0.004969 1Rh 3py -0.031487 -0.009311 -0.013708 0.022247 -0.018400 0.039824 1Rh 4pz 0.066679 0.034195 0.026698 0.034822 -0.026829 0.054463 1Rh 4px 0.053529 -0.044197 -0.120961 -0.034847 -0.059106 -0.004810 1Rh 4py -0.121416 -0.011724 -0.035919 0.077823 -0.003194 0.007207 1Rh 5pz -0.121041 -0.063527 -0.053332 -0.024860 0.053083 -0.113166 1Rh 5px -0.102652 0.073323 0.241984 0.090042 0.111534 0.022141 1Rh 5py 0.224500 0.026450 0.070326 -0.148935 0.001212 -0.066112 1Rh 6pz 0.056095 -0.016364 0.347208 -0.357403 -0.101095 0.091543 1Rh 6px 0.103102 -0.047398 -0.699131 -0.360439 -0.241327 -0.276006 1Rh 6py -0.080449 0.186930 -0.065574 -0.129066 0.100358 0.502341 1Rh 1dz2 -0.005904 -0.019741 -0.010739 -0.008975 -0.000402 -0.007889 1Rh 1dxz 0.009788 -0.024486 -0.018582 -0.007784 0.014340 -0.001172 1Rh 1dyz 0.010529 0.000216 0.008232 -0.009646 -0.003200 0.008561 1Rh 1dx2y2 0.014553 0.024773 0.020563 0.012815 -0.003416 0.009529 1Rh 1dxy -0.011805 -0.004647 -0.003531 0.000371 0.006530 -0.008679 1Rh 2dz2 -0.002153 0.000350 -0.000607 0.003584 0.000418 -0.001867 1Rh 2dxz 0.000996 0.000171 -0.000134 0.000632 0.000915 0.000928 1Rh 2dyz -0.002103 0.002436 -0.001775 0.005320 0.000301 -0.002469 1Rh 2dx2y2 0.001320 -0.000771 0.000267 -0.000956 -0.000662 -0.000877 1Rh 2dxy -0.002176 -0.001446 -0.001603 0.001664 0.000644 -0.001648 1Rh 3dz2 0.027009 0.055799 0.034428 0.009818 -0.000746 0.031730 1Rh 3dxz -0.033088 0.070666 0.055212 0.019890 -0.046217 -0.000778 1Rh 3dyz -0.020934 -0.011868 -0.015904 0.003639 0.008076 -0.013705 1Rh 3dx2y2 -0.048358 -0.068494 -0.061264 -0.033137 0.012825 -0.023909 1Rh 3dxy 0.044346 0.020057 0.017584 -0.008828 -0.022175 0.033067 1Rh 4dz2 -0.035677 0.000561 -0.018485 0.054168 0.006957 -0.032996 1Rh 4dxz 0.018675 -0.004859 -0.012443 0.007458 0.017910 0.014103 1Rh 4dyz -0.031313 0.040053 -0.025238 0.084737 0.001784 -0.037401 1Rh 4dx2y2 0.025013 -0.005882 0.010949 -0.011356 -0.008707 -0.010402 1Rh 4dxy -0.038402 -0.022686 -0.025787 0.028327 0.013151 -0.028976 1Rh 5dz2 0.060436 -0.211131 -0.004926 -0.293997 -0.018287 0.043770 1Rh 5dxz 0.023830 -0.254331 -0.127202 -0.095386 0.102859 -0.068112 1Rh 5dyz 0.224116 -0.164223 0.175202 -0.416797 -0.000617 0.221433 1Rh 5dx2y2 0.067980 0.306829 0.193832 0.183884 -0.037398 0.135804 1Rh 5dxy 0.016780 0.042327 0.056000 -0.115938 0.011133 -0.010859 1Rh 1f0 0.070743 -0.000799 0.000583 0.002325 0.014084 0.026454 1Rh 1f+1 -0.000258 -0.028871 0.021683 -0.042897 -0.005158 -0.005537 1Rh 1f-1 0.040587 -0.017529 0.041763 -0.099015 0.070814 0.033129 1Rh 1f+2 0.071835 -0.016943 0.022162 0.087101 -0.046589 0.018678 1Rh 1f-2 0.100360 -0.035752 0.029274 -0.055224 0.013286 0.062428 1Rh 1f+3 -0.074491 -0.011235 0.024636 -0.018611 -0.002475 -0.042132 1Rh 1f-3 0.032620 -0.028175 0.017077 -0.019521 -0.017536 0.023964 2C 1s 0.002197 -0.006479 -0.003025 -0.003613 -0.014868 -0.000496 2C 2s 0.007100 -0.021545 -0.010806 -0.013250 -0.050570 -0.002097 2C 3s 0.054583 0.021973 0.264560 0.276211 0.538140 0.079085 2C 4s -0.523941 0.386591 -1.134262 -1.246854 -1.556027 -0.283307 2C 5s 0.190860 -0.831162 -0.438719 0.068938 -1.119051 -0.045589 2C 1pz 0.008298 0.035919 0.117807 0.082129 0.172780 0.019890 2C 1px -0.027696 0.055042 0.027674 0.026144 0.115357 -0.002137 2C 1py 0.009371 -0.014436 0.077548 0.072036 0.186113 0.010914 2C 2pz -0.066974 -0.285948 -0.917165 -1.028961 -2.412640 -0.020672 2C 2px 0.174846 -0.432144 -0.612369 -0.496235 -1.584344 0.062671 2C 2py 0.011565 -0.796632 -0.711434 -0.603829 -1.189445 0.022976 2C 3pz -0.020302 0.017742 -0.044013 -0.011786 -0.225730 -0.008790 2C 3px 0.018250 -0.161689 0.095004 -0.035595 -0.054168 -0.024165 2C 3py -0.000220 -0.228554 -0.137578 -0.027905 -0.067584 -0.119604 2C 1dz2 -0.016759 -0.020404 0.020898 0.058795 0.213442 0.003010 2C 1dxz 0.009677 0.044208 -0.000825 -0.017820 -0.084969 0.001027 2C 1dyz -0.046940 0.149910 0.066365 0.022684 0.128310 -0.014002 2C 1dx2y2 0.009278 -0.020602 0.000393 0.001806 0.018901 0.014246 2C 1dxy 0.004156 -0.058945 0.002731 0.027800 0.097214 0.018574 2C 2dz2 -0.022803 -0.053247 -0.190929 -0.202987 -0.469746 0.025492 2C 2dxz -0.008698 -0.248477 -0.009614 -0.053844 0.031765 0.035890 2C 2dyz 0.064839 -0.360484 -0.430924 -0.407103 -1.137112 0.023168 2C 2dx2y2 0.079982 -0.073394 0.058383 0.042456 -0.151062 0.022768 2C 2dxy 0.078584 -0.025814 -0.095169 -0.150510 -0.504343 -0.010750 2C 1f0 0.000664 -0.146000 -0.020677 0.021789 0.161555 -0.023775 2C 1f+1 0.000579 0.015384 0.029517 0.014632 -0.003251 -0.010565 2C 1f-1 -0.019462 0.022160 0.000341 -0.016241 -0.004236 0.006374 2C 1f+2 0.020490 -0.078318 0.013771 0.032301 0.045597 -0.028666 2C 1f-2 -0.008081 0.012848 0.003244 0.019280 0.033259 -0.013328 2C 1f+3 0.015418 -0.037160 0.014935 0.024765 0.041607 0.015107 2C 1f-3 -0.015522 0.040969 -0.008366 -0.021736 -0.029567 -0.017715 3C 1s 0.013096 -0.000930 0.003779 0.002194 -0.001000 -0.005240 3C 2s 0.044570 -0.002009 0.012349 0.008960 -0.003700 -0.020300 3C 3s 0.084439 0.056434 0.213875 -0.267174 0.072997 0.507801 3C 4s -1.424210 -0.149115 -1.566294 1.159558 -0.344876 -2.308891 3C 5s 3.275268 -0.561399 -0.123304 -0.390269 0.384338 0.549011 3C 1pz -0.024993 0.005475 0.089967 -0.043853 0.022641 0.115261 3C 1px 0.006227 0.023233 0.011535 -0.044240 0.015210 0.083420 3C 1py 0.028733 -0.023767 -0.065834 0.070165 -0.014836 -0.150207 3C 2pz 0.834324 0.091600 -0.033819 0.251293 0.087111 -0.601217 3C 2px 0.435918 -0.217490 -0.099746 0.261903 -0.149348 -0.960792 3C 2py -1.393666 -0.162308 0.608964 -0.695584 0.448740 1.947383 3C 3pz 0.376193 -0.075472 -0.050066 0.034535 0.059188 -0.033466 3C 3px 0.177647 -0.175358 0.067635 0.089512 0.052192 0.007481 3C 3py -0.593454 0.071461 0.080626 0.044541 -0.081820 -0.065707 3C 1dz2 0.025835 0.035130 -0.016312 0.034377 -0.035886 -0.080120 3C 1dxz -0.110092 -0.026431 -0.005864 0.004949 0.004709 -0.001949 3C 1dyz 0.253503 0.022538 0.047236 0.017488 -0.027046 -0.080905 3C 1dx2y2 0.197169 0.026996 0.029325 -0.004274 -0.009856 -0.041878 3C 1dxy 0.154845 -0.003551 0.045206 0.004083 0.044539 0.018788 3C 2dz2 -0.050153 -0.006457 -0.005033 -0.084815 0.105824 0.200156 3C 2dxz 0.260628 0.056244 -0.076413 0.094130 -0.019786 -0.116311 3C 2dyz -0.654271 -0.069708 0.125009 -0.227077 0.210651 0.741393 3C 2dx2y2 -0.538927 -0.118845 0.056029 -0.023607 -0.035494 0.218950 3C 2dxy -0.353208 0.053157 -0.073674 -0.118101 -0.013826 0.315943 3C 1f0 0.013261 0.010611 -0.034330 0.009239 -0.018659 -0.030321 3C 1f+1 -0.012730 0.006109 -0.034092 0.020429 -0.017090 -0.033617 3C 1f-1 0.008001 -0.026533 0.054115 -0.001277 0.050331 0.070795 3C 1f+2 0.145836 0.026651 0.059189 -0.017902 -0.005535 0.043026 3C 1f-2 0.077685 -0.005459 0.045116 0.005444 0.033004 0.024066 3C 1f+3 -0.005630 0.036868 -0.003845 0.002265 -0.021099 -0.009063 3C 1f-3 0.003841 0.023916 0.004091 0.000062 -0.034963 -0.020846 4C 1s -0.000974 0.004164 -0.000741 0.003040 0.009164 0.003948 4C 2s -0.002011 0.011517 0.000349 0.011811 0.033691 0.012748 4C 3s 0.006692 -0.221166 -0.075526 -0.274974 -0.924056 -0.239898 4C 4s -0.017681 1.107660 0.055811 1.191829 4.059393 0.802566 4C 5s -0.081089 0.577839 0.048156 -0.343683 0.396041 0.365004 4C 1pz 0.010296 0.022736 0.063885 0.081457 0.094473 -0.034900 4C 1px -0.004242 -0.009874 0.017802 0.006624 0.012595 -0.024869 4C 1py 0.021112 -0.006273 0.045514 0.055679 0.068685 -0.028474 4C 2pz -0.119939 -0.301644 -1.021039 -1.029729 -1.666294 0.200746 4C 2px 0.018389 0.057162 -0.382513 -0.075009 -0.197959 0.140931 4C 2py -0.093728 -0.120633 -0.761104 -0.646277 -1.062103 0.178961 4C 3pz -0.107049 -0.118389 -0.084653 -0.122340 -0.044523 -0.417830 4C 3px -0.074525 0.200787 -0.144515 0.089254 0.431416 -0.116736 4C 3py -0.082186 0.189134 0.112758 0.077735 0.314739 0.137266 4C 1dz2 0.002796 0.067212 -0.020232 -0.014503 -0.021598 0.027981 4C 1dxz 0.007839 0.058598 0.010557 -0.043903 -0.122520 0.025015 4C 1dyz -0.053407 0.062874 0.046567 0.014241 0.073875 -0.020785 4C 1dx2y2 -0.004350 0.115842 -0.006200 -0.018185 -0.083658 0.002947 4C 1dxy -0.008715 -0.069494 -0.017883 0.014154 0.113885 -0.002054 4C 2dz2 0.004823 0.191356 0.436501 0.348948 0.608470 -0.068441 4C 2dxz 0.222017 -0.355595 0.029706 0.128230 -0.235570 -0.009983 4C 2dyz 0.074265 0.084601 0.294946 0.376033 0.848955 0.014000 4C 2dx2y2 -0.047272 -0.150436 -0.243438 -0.154931 0.115716 0.095609 4C 2dxy 0.073343 -0.000037 -0.040423 -0.058525 -0.352627 0.104756 4C 1f0 0.015744 -0.108901 -0.040636 0.020813 0.099668 -0.016494 4C 1f+1 0.018375 0.002863 -0.012722 0.011984 -0.034001 0.058368 4C 1f-1 0.012294 -0.039784 0.000592 -0.000689 -0.068698 -0.012412 4C 1f+2 -0.009109 -0.004523 0.000493 0.008719 0.093649 -0.042768 4C 1f-2 0.007397 -0.072039 -0.030627 -0.040884 -0.133372 -0.090496 4C 1f+3 0.034787 -0.020549 0.038020 0.038554 0.069215 0.084575 4C 1f-3 -0.048170 0.058267 -0.050806 -0.041970 -0.062114 -0.099517 5C 1s -0.003915 -0.000495 -0.003618 -0.005740 -0.000842 0.003424 5C 2s -0.001410 -0.000379 -0.007755 -0.020750 -0.001223 0.016069 5C 3s 0.090090 -0.042652 0.151865 0.449568 0.005289 -0.488068 5C 4s -1.218543 -0.010887 -1.010760 -1.725107 0.061770 2.187928 5C 5s -1.127062 0.091729 -0.322188 -0.004235 -0.502923 -0.699790 5C 1pz -0.030147 -0.014731 0.045949 0.002892 0.026058 0.094726 5C 1px -0.040765 -0.036943 -0.005897 -0.035165 0.023106 0.053409 5C 1py 0.071473 0.032490 -0.063439 0.010439 -0.046325 -0.149389 5C 2pz 0.356155 0.086301 -0.544377 0.177206 -0.247162 -1.068114 5C 2px 0.343826 0.152436 -0.179285 0.262218 -0.165856 -0.527331 5C 2py -0.710955 -0.175261 0.888007 -0.371476 0.420637 1.775112 5C 3pz 0.586873 -0.331241 -0.321032 -0.204905 0.127504 0.320587 5C 3px 0.511270 -0.021421 -0.309869 -0.118110 0.289214 0.318671 5C 3py -1.097632 0.615389 0.399923 -0.204556 -0.179016 -0.119633 5C 1dz2 0.068085 0.032316 0.020309 -0.025982 0.019398 0.026129 5C 1dxz -0.055392 -0.048828 0.006187 0.028368 0.039222 0.029962 5C 1dyz 0.135607 0.038864 0.040405 0.012513 -0.038474 -0.049156 5C 1dx2y2 0.114760 -0.024759 0.012528 0.004236 0.067723 0.035848 5C 1dxy 0.112786 -0.028871 0.039515 0.004256 0.014401 0.041904 5C 2dz2 -0.066003 -0.020800 0.060216 0.112905 0.038187 -0.054625 5C 2dxz -0.153906 -0.045291 0.331514 -0.010449 -0.020185 0.110284 5C 2dyz 0.038851 -0.093617 -0.119635 0.267586 -0.098252 -0.576456 5C 2dx2y2 0.151625 0.008167 -0.381119 0.127480 -0.181690 -0.600303 5C 2dxy 0.154105 0.226845 -0.403291 0.040797 -0.039374 -0.364229 5C 1f0 -0.137210 -0.042490 -0.059970 0.050373 -0.029940 -0.067957 5C 1f+1 -0.047907 -0.005328 -0.020949 0.085104 0.001931 -0.101172 5C 1f-1 0.010902 -0.021629 0.058568 0.044920 0.015236 -0.011760 5C 1f+2 -0.131875 -0.009209 -0.069812 -0.091523 0.007283 0.068732 5C 1f-2 -0.071835 0.010731 -0.007168 0.015374 0.006426 0.030714 5C 1f+3 0.092951 0.004535 0.008380 0.017328 -0.019484 -0.035953 5C 1f-3 -0.003197 0.028313 -0.003183 0.050474 -0.040495 -0.064967 6C 1s 0.004048 0.000370 -0.003638 0.003869 0.004579 -0.005074 6C 2s 0.001743 0.000220 -0.007978 0.012585 0.017423 -0.022069 6C 3s -0.096775 0.037972 0.147999 -0.276276 -0.385547 0.651218 6C 4s 1.257533 0.017460 -0.985552 1.038324 1.503266 -2.910066 6C 5s 1.133364 -0.097122 -0.288750 0.465555 -0.210665 0.591953 6C 1pz -0.029491 -0.017745 -0.046374 0.017232 -0.007317 0.107650 6C 1px -0.041526 -0.038341 0.007739 -0.001984 -0.037838 0.062062 6C 1py 0.070204 0.038049 0.063455 -0.023209 0.025945 -0.169016 6C 2pz 0.347178 0.124053 0.552255 -0.044285 0.243293 -1.261585 6C 2px 0.343663 0.184316 0.174703 0.044498 0.280428 -0.652747 6C 2py -0.694564 -0.244304 -0.899544 0.036342 -0.471470 2.102348 6C 3pz 0.582550 -0.336916 0.374448 -0.016014 -0.264618 0.268292 6C 3px 0.510366 -0.016271 0.337062 0.186272 -0.262729 0.323430 6C 3py -1.095285 0.610868 -0.478090 -0.233971 -0.074307 -0.025033 6C 1dz2 -0.067092 -0.029965 0.021636 -0.004081 0.029817 -0.029559 6C 1dxz 0.054802 0.052993 0.006892 -0.047574 -0.004644 -0.041136 6C 1dyz -0.137546 -0.038316 0.040190 0.023253 -0.029810 0.064338 6C 1dx2y2 -0.114247 0.026503 0.008953 -0.061520 0.029832 -0.044524 6C 1dxy -0.114763 0.030253 0.036698 -0.015101 0.002348 -0.046861 6C 2dz2 0.062317 0.019229 0.058926 -0.099166 -0.079052 0.065414 6C 2dxz 0.149600 0.055443 0.333196 0.035447 -0.019171 -0.109959 6C 2dyz -0.037740 0.077168 -0.123861 -0.098033 -0.270211 0.724664 6C 2dx2y2 -0.144844 -0.035742 -0.382190 0.058473 -0.173930 0.711660 6C 2dxy -0.144996 -0.248841 -0.406541 -0.013065 -0.032047 0.419836 6C 1f0 -0.138945 -0.037181 0.059746 -0.003012 0.059461 -0.066942 6C 1f+1 -0.048850 0.000338 0.019434 0.047125 0.074549 -0.103353 6C 1f-1 0.011664 -0.022538 -0.060270 0.035923 0.034759 -0.005032 6C 1f+2 -0.133461 -0.010948 0.068730 -0.043995 -0.085417 0.079023 6C 1f-2 -0.072343 0.009419 0.004487 0.007894 0.009922 0.047278 6C 1f+3 0.093230 0.005544 -0.004156 -0.003459 0.024007 -0.050114 6C 1f-3 -0.003437 0.031461 0.000620 -0.012621 0.065953 -0.066581 7C 1s 0.001049 -0.004329 -0.000501 -0.009304 0.002148 -0.003366 7C 2s 0.002164 -0.011829 0.000931 -0.034175 0.007248 -0.010913 7C 3s -0.009801 0.228793 -0.087950 0.909977 -0.232636 0.195851 7C 4s 0.042642 -1.166729 0.119210 -3.994137 1.025594 -0.603288 7C 5s 0.092298 -0.618136 0.086559 -0.243232 0.524154 -0.295817 7C 1pz 0.011935 0.016526 -0.064282 0.108907 0.025214 -0.039767 7C 1px -0.003875 -0.010958 -0.017845 0.010968 0.000322 -0.027866 7C 1py 0.022635 -0.010956 -0.044712 0.078765 0.015155 -0.034154 7C 2pz -0.145128 -0.218254 1.034368 -1.812737 -0.056137 0.299820 7C 2px 0.009821 0.092530 0.383203 -0.172972 0.026502 0.173340 7C 2py -0.113859 -0.058015 0.771586 -1.153581 -0.028759 0.255414 7C 3pz -0.115650 -0.096691 0.118599 -0.068982 -0.063685 -0.322110 7C 3px -0.087548 0.228374 0.139458 0.457377 -0.159188 -0.112318 7C 3py -0.088608 0.215530 -0.113484 0.307920 -0.060131 0.243379 7C 1dz2 -0.001032 -0.072874 -0.014592 0.024425 0.001196 -0.029925 7C 1dxz -0.007166 -0.064044 0.014835 0.130192 -0.025927 -0.025517 7C 1dyz 0.053459 -0.063122 0.051143 -0.073154 0.026124 0.022063 7C 1dx2y2 0.006379 -0.124432 0.000836 0.082023 -0.024625 -0.007913 7C 1dxy 0.008782 0.074627 -0.021290 -0.107529 0.044697 0.001960 7C 2dz2 -0.011274 -0.161717 0.446818 -0.668367 0.012271 0.104333 7C 2dxz -0.236561 0.384833 -0.002111 0.195891 -0.245115 0.037764 7C 2dyz -0.081849 -0.055888 0.300888 -0.877146 0.104043 0.032686 7C 2dx2y2 0.055888 0.129641 -0.253323 -0.058127 0.190658 -0.120462 7C 2dxy -0.075577 -0.019869 -0.044576 0.359806 -0.137507 -0.097398 7C 1f0 0.015213 -0.114497 0.048578 0.101347 -0.032511 -0.019394 7C 1f+1 0.018395 0.001872 0.013586 -0.024869 0.029585 0.065792 7C 1f-1 0.013114 -0.042745 0.003345 -0.059926 0.033035 -0.008061 7C 1f+2 -0.009851 -0.007625 0.000211 0.089533 -0.043908 -0.050908 7C 1f-2 0.008940 -0.075347 0.038195 -0.133489 0.028408 -0.099935 7C 1f+3 0.035754 -0.024197 -0.036419 0.075440 0.003953 0.092099 7C 1f-3 -0.049926 0.063239 0.047688 -0.065214 -0.012352 -0.106466 8C 1s -0.013207 0.000938 0.003469 -0.000833 -0.002419 0.007362 8C 2s -0.044951 0.001951 0.011371 -0.003505 -0.009600 0.027657 8C 3s -0.087960 -0.035621 0.216465 0.107096 0.258682 -0.612931 8C 4s 1.453826 0.037207 -1.552700 -0.425361 -1.110988 2.695545 8C 5s -3.280050 0.574365 -0.262400 -0.179523 0.542503 -0.262608 8C 1pz -0.023008 -0.001772 -0.091919 -0.010634 -0.046534 0.138657 8C 1px 0.006632 0.020821 -0.011646 -0.015099 -0.045920 0.105802 8C 1py 0.027958 -0.017944 0.068353 0.036146 0.065657 -0.188750 8C 2pz 0.836648 0.105210 0.050192 0.284238 0.142755 -0.765600 8C 2px 0.434659 -0.205615 0.119179 0.078021 0.289416 -1.201680 8C 2py -1.388690 -0.235284 -0.637046 -0.130894 -0.774719 2.422976 8C 3pz 0.376584 -0.073227 0.065496 0.080574 -0.001815 -0.069810 8C 3px 0.180703 -0.178845 -0.056904 0.090995 0.052039 -0.009888 8C 3py -0.593372 0.068974 -0.110165 -0.057654 0.087285 0.000722 8C 1dz2 -0.026152 -0.038638 -0.015399 0.011124 -0.047994 0.097767 8C 1dxz 0.110229 0.028323 -0.004251 -0.004329 -0.002469 -0.001811 8C 1dyz -0.255036 -0.022253 0.043527 0.003968 -0.027686 0.110448 8C 1dx2y2 -0.198045 -0.027936 0.025383 0.004779 -0.000085 0.057617 8C 1dxy -0.156670 0.006481 0.042752 -0.046049 0.020279 -0.015585 8C 2dz2 0.052841 0.010165 -0.005679 -0.036333 0.126921 -0.261471 8C 2dxz -0.260747 -0.070421 -0.078440 -0.046077 -0.085300 0.147583 8C 2dyz 0.654041 0.090637 0.137180 -0.003455 0.287213 -0.925768 8C 2dx2y2 0.539359 0.126615 0.068276 0.077880 -0.013305 -0.286280 8C 2dxy 0.356395 -0.052069 -0.066681 0.106567 0.084854 -0.401756 8C 1f0 0.011981 0.013845 0.034607 -0.011650 0.017671 -0.036887 8C 1f+1 -0.011654 0.008776 0.032889 -0.004306 0.025186 -0.036091 8C 1f-1 0.008940 -0.031652 -0.054581 0.041962 -0.023446 0.085548 8C 1f+2 0.147157 0.023887 -0.057820 -0.014573 -0.011469 0.043753 8C 1f-2 0.079365 -0.007731 -0.044561 0.031186 -0.010168 0.029206 8C 1f+3 -0.005524 0.038585 0.001953 -0.016894 0.012859 -0.012758 8C 1f-3 0.004891 0.026431 -0.004515 -0.030474 0.017955 -0.027270 9C 1s -0.002337 0.006607 -0.003570 0.014916 -0.004610 -0.000183 9C 2s -0.007526 0.021884 -0.012573 0.050825 -0.014706 -0.000175 9C 3s -0.060955 -0.002720 0.263678 -0.560863 0.030306 -0.047193 9C 4s 0.571014 -0.506603 -1.084946 1.714346 0.320874 0.155276 9C 5s -0.192689 0.823152 -0.542200 1.011045 -0.689934 -0.137875 9C 1pz 0.011186 0.030209 -0.120379 0.175839 -0.015382 0.007197 9C 1px -0.028928 0.056654 -0.031948 0.115499 -0.038234 -0.002789 9C 1py 0.010886 -0.022768 -0.076468 0.190933 -0.032199 0.003390 9C 2pz -0.087122 -0.203692 0.931818 -2.465048 0.322527 0.125039 9C 2px 0.172244 -0.386298 0.648283 -1.622283 0.392009 0.083862 9C 2py 0.008555 -0.797279 0.774837 -1.277766 0.089922 0.116348 9C 3pz -0.022256 0.030390 0.052585 -0.203341 0.112627 0.042236 9C 3px 0.022646 -0.167776 -0.088874 -0.079840 0.009468 -0.011120 9C 3py -0.002051 -0.233819 0.156730 -0.061979 0.012217 -0.100358 9C 1dz2 0.016803 0.027048 0.021744 -0.215553 0.056513 0.003860 9C 1dxz -0.009889 -0.045458 0.000103 0.084627 -0.028208 0.002426 9C 1dyz 0.048284 -0.154613 0.077948 -0.121496 0.046746 0.020738 9C 1dx2y2 -0.009368 0.020401 -0.002399 -0.015965 0.007465 -0.017282 9C 1dxy -0.005436 0.066042 -0.001109 -0.097719 0.024202 -0.016364 9C 2dz2 0.027257 0.036679 -0.196904 0.476393 -0.058374 -0.067837 9C 2dxz 0.007130 0.254114 -0.019744 -0.010835 0.057955 -0.055885 9C 2dyz -0.061733 0.346020 -0.459112 1.150508 -0.224211 -0.070192 9C 2dx2y2 -0.085362 0.090618 0.052626 0.128318 -0.118728 -0.001470 9C 2dxy -0.079897 0.014126 -0.099447 0.521976 -0.132648 0.004124 9C 1f0 0.001315 -0.156957 0.030868 0.155632 -0.062702 -0.026797 9C 1f+1 0.001274 0.013970 -0.029602 0.006522 0.013037 -0.011568 9C 1f-1 -0.020127 0.023391 -0.002294 -0.008865 -0.011985 0.005114 9C 1f+2 0.023006 -0.087260 -0.006448 0.052311 0.004107 -0.033546 9C 1f-2 -0.007253 0.007345 -0.003524 0.040676 -0.002225 -0.016792 9C 1f+3 0.017148 -0.043762 -0.012215 0.047414 0.000745 0.017365 9C 1f-3 -0.016174 0.044153 0.004401 -0.033669 -0.005088 -0.016838 10H 1s -0.033910 0.027621 -0.039014 -0.017222 0.069084 0.001208 10H 2s 0.037216 -0.154476 0.289330 0.133713 0.261591 0.018658 10H 3s -0.073184 0.235291 -0.036351 -0.045057 0.101144 -0.029540 10H 1pz -0.005533 0.025970 0.127721 0.118146 0.286389 -0.006614 10H 1px -0.059601 0.178015 -0.041090 0.037832 0.207824 -0.023118 10H 1py -0.052309 0.138125 0.090087 0.058425 0.144326 -0.012867 11H 1s 0.037657 -0.086414 -0.039615 -0.015987 -0.071006 0.013066 11H 2s 0.140013 0.066064 -0.216620 -0.316561 -1.369202 0.004293 11H 3s -0.061817 0.117930 0.190311 0.033880 0.365014 -0.037691 11H 1pz 0.028421 0.064062 -0.022951 -0.047278 -0.229477 0.021936 11H 1px 0.055411 -0.002253 -0.021952 -0.091919 -0.473479 0.023183 11H 1py -0.020256 0.113830 0.130371 0.090066 0.275350 -0.004133 12H 1s -0.000207 0.021189 -0.014206 -0.035664 -0.172137 0.022176 12H 2s 0.180960 -0.855025 -0.209271 -0.049628 -0.205332 0.064667 12H 3s -0.074132 0.137048 0.098106 0.001627 0.252690 -0.077890 12H 1pz -0.018570 0.028471 0.089907 0.085323 0.281985 -0.026001 12H 1px 0.069346 -0.195139 -0.000329 0.001780 -0.101172 0.009203 12H 1py 0.055655 -0.316392 -0.067782 -0.007386 -0.050412 0.034923 13H 1s 0.046065 0.006583 -0.080684 -0.015385 0.003560 -0.017823 13H 2s 0.898635 0.221873 0.442087 -0.039981 0.126523 0.300930 13H 3s -0.452138 0.042290 -0.163038 0.045734 -0.064065 -0.142245 13H 1pz 0.268258 0.080152 0.098854 -0.028236 0.025885 0.086109 13H 1px -0.357635 -0.020600 -0.179501 -0.019683 -0.005561 0.029185 13H 1py -0.058425 -0.052430 -0.085693 0.063199 -0.047760 -0.209325 14H 1s 0.031266 0.003959 -0.033560 0.013140 -0.021146 -0.075479 14H 2s 0.861219 -0.068530 0.472101 -0.120630 0.164797 0.038622 14H 3s -0.472008 -0.028474 -0.054200 0.152256 -0.008765 -0.059828 14H 1pz 0.151575 -0.035764 0.052168 -0.046083 0.058489 0.035460 14H 1px 0.354629 -0.014148 0.226608 -0.047076 0.045693 0.019929 14H 1py 0.248206 0.057133 -0.023291 0.014946 -0.064768 -0.146831 15H 1s 0.010372 -0.013373 0.057291 0.006239 -0.005903 -0.024253 15H 2s 0.864559 0.113852 -0.107183 0.164074 -0.362122 -0.621579 15H 3s -0.467116 0.017361 0.082638 0.058265 0.050974 0.085249 15H 1pz -0.440903 -0.031556 -0.000728 -0.043448 0.078232 0.226911 15H 1px 0.016766 0.019679 0.025807 0.005759 -0.061280 -0.046094 15H 1py -0.168795 -0.024528 0.019058 -0.009735 0.106729 0.118635 16H 1s -0.012200 -0.002471 0.030493 -0.008585 -0.006167 -0.019608 16H 2s 0.000560 -0.434047 0.403751 -0.059457 -0.265842 0.090578 16H 3s -0.015294 -0.093867 0.160143 0.014093 -0.011808 -0.031645 16H 1pz -0.014565 -0.255794 0.277229 -0.044359 -0.163018 0.024224 16H 1px 0.019260 0.097478 -0.131971 0.008899 0.020056 0.005935 16H 1py 0.005132 -0.032373 0.009662 -0.005341 -0.018255 0.048384 17H 1s 0.007276 -0.006004 0.034737 -0.006240 -0.007367 -0.014139 17H 2s 0.120025 -0.518515 0.438450 -0.032419 -0.176360 0.069082 17H 3s 0.026291 -0.094452 0.149096 -0.025053 -0.072182 -0.003115 17H 1pz -0.055448 0.159608 -0.139041 0.002912 0.065096 -0.012505 17H 1px -0.014317 0.264855 -0.292216 0.025910 0.087410 0.000594 17H 1py 0.051825 -0.094035 0.064214 0.009764 -0.006906 0.044691 18H 1s -0.007914 0.009583 0.034725 0.010137 0.003001 0.014311 18H 2s -0.129932 0.535070 0.418481 0.172324 -0.100229 -0.043589 18H 3s -0.029123 0.102394 0.143852 0.076809 -0.015595 0.005524 18H 1pz -0.060329 0.169050 0.135640 0.060454 -0.042534 -0.004931 18H 1px -0.021003 0.279771 0.282941 0.092051 -0.037025 0.011054 18H 1py 0.050529 -0.088338 -0.056781 0.003035 0.019153 0.039234 19H 1s 0.011069 0.004894 0.030840 0.010108 0.004613 0.020618 19H 2s -0.013183 0.468512 0.382267 0.268095 -0.098767 -0.077711 19H 3s 0.011081 0.105094 0.157476 0.006662 -0.020933 0.036756 19H 1pz -0.005813 -0.277582 -0.263396 -0.168765 0.052059 0.015052 19H 1px 0.016530 0.108882 0.130140 0.026176 -0.005468 0.007708 19H 1py 0.005277 -0.040681 -0.013598 -0.020462 0.005711 0.048520 20H 1s -0.012466 0.016819 0.057206 -0.003196 -0.009061 0.036887 20H 2s -0.864550 -0.139281 -0.119753 0.194175 -0.320959 0.784740 20H 3s 0.465926 -0.011856 0.095299 -0.057461 -0.025983 -0.140865 20H 1pz -0.441557 -0.037916 -0.007197 0.024413 -0.072963 0.289682 20H 1px 0.020740 0.019847 -0.025912 -0.051767 0.037766 -0.063716 20H 1py -0.168340 -0.029162 -0.022151 0.083098 -0.061146 0.151583 21H 1s -0.029700 -0.007059 -0.034720 0.006639 -0.020113 0.095452 21H 2s -0.872180 0.102320 0.453491 -0.105968 0.186873 -0.002735 21H 3s 0.472522 0.021860 -0.040313 -0.058834 -0.136446 0.021588 21H 1pz 0.154888 -0.041307 -0.048694 0.030213 -0.070658 0.038564 21H 1px 0.358189 -0.028811 -0.219711 0.025390 -0.062025 -0.000122 21H 1py 0.249646 0.062495 0.027111 -0.033956 0.040732 -0.190156 22H 1s -0.044679 -0.010817 -0.082645 0.001808 0.018567 0.019310 22H 2s -0.911094 -0.208466 0.436350 -0.097328 0.100550 -0.318515 22H 3s 0.457234 -0.051433 -0.152418 0.037967 -0.069654 0.124013 22H 1pz 0.268068 0.077634 -0.095079 0.008574 -0.038252 0.091672 22H 1px -0.364556 -0.015025 0.175749 -0.026995 -0.013678 0.061125 22H 1py -0.062375 -0.047669 0.087025 -0.000383 0.076240 -0.246969 23H 1s -0.000295 -0.026369 -0.012535 0.170520 -0.058319 -0.024236 23H 2s -0.193192 0.904452 -0.276797 0.221297 -0.074724 -0.084414 23H 3s 0.076047 -0.139558 0.117453 -0.238709 0.134286 0.096422 23H 1pz -0.018428 0.024896 -0.094635 0.283734 -0.069093 -0.043170 23H 1px 0.073594 -0.208939 0.014795 -0.094485 0.056020 0.008070 23H 1py 0.060842 -0.334917 0.092674 -0.057529 0.025766 0.041776 24H 1s -0.038531 0.092891 -0.047667 0.070569 -0.023296 -0.014136 24H 2s -0.138376 -0.118464 -0.218765 1.354303 -0.422891 -0.021903 24H 3s 0.059988 -0.107260 0.203707 -0.340986 0.160418 0.048280 24H 1pz 0.026896 0.078035 0.020187 -0.228199 0.076363 0.023697 24H 1px 0.058545 0.005185 0.026307 -0.471247 0.164675 0.029212 24H 1py -0.018614 0.106430 -0.139667 0.270832 -0.059119 -0.015522 25H 1s 0.037099 -0.033993 -0.036216 -0.061329 0.052063 -0.008741 25H 2s -0.047341 0.184611 0.280347 -0.280629 0.017619 -0.041482 25H 3s 0.078969 -0.247958 -0.018933 -0.091322 0.102364 0.041023 25H 1pz -0.003209 0.012759 -0.129041 0.303118 -0.045583 -0.005610 25H 1px -0.064950 0.187476 0.029060 0.210907 -0.077811 -0.036158 25H 1py -0.053241 0.141790 -0.100014 0.156834 -0.027502 -0.014861 26O 1s -0.000384 0.007685 -0.006787 0.003485 0.008502 0.002046 26O 2s -0.001584 0.027447 -0.022326 0.012254 0.031480 0.006435 26O 3s 0.019603 -0.211673 0.136357 -0.094619 -0.245654 -0.024843 26O 4s -0.118702 0.585300 -0.127928 0.302776 0.807879 -0.087503 26O 5s 0.265615 -1.004117 0.906045 -0.257799 -1.723236 -0.195410 26O 1pz -0.015340 -0.114889 0.089073 0.109515 0.469796 0.111215 26O 1px 0.046094 -0.149182 0.056476 0.045629 0.006438 0.074961 26O 1py -0.110757 0.228448 -0.064296 -0.144878 -0.267088 -0.245280 26O 2pz -0.010080 0.227463 -0.128295 -0.173671 -0.586999 -0.142923 26O 2px -0.042158 0.162771 -0.152168 -0.133267 -0.053450 -0.019956 26O 2py 0.144066 -0.353466 0.043928 0.186173 0.499301 0.389660 26O 3pz 0.034276 -0.171855 0.017125 0.002379 0.153860 0.324537 26O 3px 0.036470 0.142114 -0.607127 0.050223 0.247315 0.385221 26O 3py -0.051750 0.126122 -0.371224 -0.229182 -0.345275 -0.186186 26O 1dz2 0.000805 -0.003432 -0.001329 0.002786 0.005706 0.002095 26O 1dxz 0.000933 -0.002223 -0.004408 0.003712 0.010477 0.001800 26O 1dyz 0.000198 -0.000407 0.001829 0.000089 -0.008175 -0.000416 26O 1dx2y2 0.001223 -0.005986 0.000433 -0.000969 0.007251 0.006505 26O 1dxy -0.002067 0.001972 -0.003107 -0.003332 -0.006210 -0.002021 26O 2dz2 0.013906 -0.037995 -0.085015 -0.039372 -0.060630 0.002542 26O 2dxz 0.052283 -0.068003 -0.019949 -0.003686 -0.114913 -0.022478 26O 2dyz 0.048809 -0.080582 0.006014 -0.053752 -0.242267 0.023319 26O 2dx2y2 -0.030072 -0.002605 0.019198 -0.011203 0.074939 -0.049518 26O 2dxy 0.018063 -0.040539 0.048761 -0.016073 -0.109717 0.025054 26O 1f0 -0.000558 -0.007977 -0.006422 -0.001023 0.001393 -0.008243 26O 1f+1 -0.003482 0.001090 -0.003350 -0.005582 -0.010310 -0.008720 26O 1f-1 -0.001201 0.008296 0.003382 0.001398 0.011401 -0.002004 26O 1f+2 -0.000963 0.001209 0.006198 0.001308 -0.005199 -0.002393 26O 1f-2 -0.000004 0.003677 0.003375 -0.000045 0.003770 0.006303 26O 1f+3 -0.003396 -0.008871 0.001367 0.002676 0.013084 -0.007113 26O 1f-3 0.003938 0.004319 0.002247 0.001627 -0.006404 0.006731 27O 1s -0.001959 0.007119 -0.008290 -0.002922 0.003434 0.003817 27O 2s -0.004734 0.024610 -0.028136 -0.010487 0.011737 0.014180 27O 3s -0.000185 -0.163729 0.184939 0.072425 -0.086669 -0.112354 27O 4s 0.134545 0.259122 -0.342804 -0.159386 0.216036 0.389207 27O 5s -0.641056 -0.245694 1.386315 0.366225 -0.041290 -0.430748 27O 1pz -0.027211 0.056168 -0.029372 0.220076 -0.121518 -0.254382 27O 1px 0.048928 -0.050639 0.057019 0.066167 -0.035392 -0.086741 27O 1py 0.040470 0.086967 0.080442 0.171553 -0.130525 -0.259939 27O 2pz 0.056604 -0.095732 0.016882 -0.305633 0.189579 0.392365 27O 2px -0.031992 0.081447 -0.161763 -0.119172 -0.004488 0.068676 27O 2py -0.082574 -0.158653 -0.038901 -0.218275 0.199612 0.384883 27O 3pz -0.149162 0.072600 0.103289 0.323669 -0.050420 -0.434019 27O 3px 0.025690 -0.107481 -0.469369 -0.025342 -0.092679 -0.210356 27O 3py 0.236795 0.051682 0.071330 0.177213 -0.120839 -0.049917 27O 1dz2 0.002451 0.004316 -0.002443 -0.003088 -0.002249 0.001562 27O 1dxz -0.005919 -0.000474 0.000141 0.004591 -0.002014 -0.003736 27O 1dyz 0.012348 -0.000853 -0.001627 -0.003463 0.000556 0.005602 27O 1dx2y2 0.007272 0.002462 -0.004142 0.002957 -0.000715 -0.007197 27O 1dxy 0.008986 0.003925 -0.001128 0.000409 -0.002660 -0.003596 27O 2dz2 0.049349 0.030328 -0.056663 -0.056077 -0.000879 0.042582 27O 2dxz -0.081120 -0.022190 0.046246 -0.038054 0.003319 0.008593 27O 2dyz 0.155299 0.018167 -0.026787 -0.041501 -0.013651 0.088004 27O 2dx2y2 0.094136 0.049831 0.003490 -0.038150 0.018658 0.048142 27O 2dxy 0.105461 0.053797 -0.117211 -0.050116 0.025615 0.040581 27O 1f0 -0.002768 0.001642 -0.002504 -0.001061 -0.002886 -0.008368 27O 1f+1 0.001806 -0.000749 0.002244 -0.005150 0.001841 0.005344 27O 1f-1 -0.006486 0.002054 -0.000927 0.001995 0.000068 -0.003691 27O 1f+2 -0.012454 -0.004789 0.001756 0.009706 0.001947 -0.005786 27O 1f-2 0.003099 0.002586 0.006290 -0.002541 0.000387 0.001950 27O 1f+3 -0.009192 0.003208 -0.004766 0.001507 0.000078 -0.004205 27O 1f-3 -0.012126 0.004019 -0.003228 -0.009381 -0.005204 0.005483 28O 1s -0.001490 -0.001260 -0.003230 -0.001171 0.006064 -0.000272 28O 2s -0.003837 -0.006734 -0.012594 -0.003916 0.014312 -0.000554 28O 3s 0.001515 0.090071 0.111827 0.030182 0.019628 0.002500 28O 4s 0.158133 -0.398269 -0.301323 -0.098631 -0.541804 0.000635 28O 5s 0.000710 0.292772 0.663353 0.562609 0.016294 -0.181783 28O 1pz 0.016524 0.190220 0.145421 0.091322 0.018056 0.157291 28O 1px 0.032036 0.041616 0.058376 0.024651 -0.106227 0.111687 28O 1py -0.014983 -0.133243 -0.169210 -0.067114 0.000605 -0.263568 28O 2pz -0.083470 -0.214534 -0.227892 -0.124950 0.182291 -0.193883 28O 2px 0.023150 -0.169724 -0.121833 -0.035532 -0.105141 -0.174354 28O 2py 0.003237 0.203268 0.229670 0.093159 -0.012721 0.380131 28O 3pz 0.007188 0.277928 -0.148178 0.004294 -0.276218 0.352847 28O 3px 0.060151 -0.025484 0.378552 0.224894 -0.091950 0.042276 28O 3py -0.032812 -0.041322 -0.193442 -0.118146 -0.474370 -0.319177 28O 1dz2 0.000162 0.010172 0.006110 0.000516 0.005045 0.002959 28O 1dxz 0.002850 -0.002501 -0.000170 -0.003571 -0.008786 0.001541 28O 1dyz -0.000940 0.000213 0.003693 -0.001577 0.008246 -0.004716 28O 1dx2y2 -0.001910 0.003098 -0.002744 0.000050 -0.000616 -0.000224 28O 1dxy 0.000974 -0.000121 0.002240 -0.000682 -0.003009 0.004712 28O 2dz2 -0.044398 0.151713 0.055316 0.042738 0.031416 -0.064077 28O 2dxz -0.010746 0.048648 -0.046779 -0.044945 -0.054961 0.017621 28O 2dyz -0.039429 0.075663 0.050656 0.083656 0.161582 -0.008877 28O 2dx2y2 0.002569 0.000296 -0.021182 -0.049221 -0.143531 0.000018 28O 2dxy -0.003019 -0.037148 -0.029237 -0.049501 -0.138608 -0.029272 28O 1f0 -0.004497 0.007365 -0.002615 -0.005162 -0.015940 -0.004992 28O 1f+1 -0.002256 -0.001233 -0.004783 -0.002899 -0.017266 -0.010216 28O 1f-1 -0.001171 -0.002061 0.000888 0.004621 0.005903 -0.000495 28O 1f+2 -0.001865 0.005780 0.001481 -0.002407 0.008664 -0.000038 28O 1f-2 0.003963 -0.005769 0.000574 0.006022 -0.000493 0.005397 28O 1f+3 -0.004833 0.008050 -0.000981 -0.002866 -0.006220 -0.004941 28O 1f-3 0.003273 -0.006838 -0.005124 0.000895 0.006846 0.007844 29O 1s -0.001706 -0.016211 0.016342 -0.001839 -0.010464 -0.003241 29O 2s -0.006474 -0.050395 0.051483 -0.006062 -0.033684 -0.012062 29O 3s 0.055746 0.210017 -0.230739 0.034117 0.169698 0.101883 29O 4s -0.103917 -0.085842 0.211341 -0.077798 -0.161408 -0.225444 29O 5s -0.039491 0.889760 -1.265559 0.263537 0.505589 0.136756 29O 1pz -0.052321 -0.075590 0.161271 -0.022140 -0.021330 -0.022800 29O 1px 0.030020 0.314075 -0.506826 0.075132 0.086256 0.057558 29O 1py 0.092085 0.166536 -0.260620 0.054659 0.099562 0.135274 29O 2pz 0.037643 0.063538 -0.182596 -0.001942 -0.055124 0.053895 29O 2px -0.081690 -0.293324 0.598403 -0.103522 -0.067646 -0.106190 29O 2py -0.107766 -0.483005 0.621700 -0.104318 -0.253485 -0.167738 29O 3pz -0.078547 -0.039865 0.101202 0.062152 0.030668 -0.004881 29O 3px -0.016243 0.203372 -0.245746 -0.010899 0.042247 -0.016135 29O 3py 0.094607 -0.129896 0.079123 -0.001605 -0.039875 0.042494 29O 1dz2 0.000393 -0.005106 0.005217 0.000275 -0.003374 0.000384 29O 1dxz 0.000290 -0.006328 0.005542 -0.002248 -0.005005 -0.000301 29O 1dyz -0.000829 -0.000440 -0.000915 -0.001774 -0.002704 0.000044 29O 1dx2y2 0.000198 0.005374 -0.003841 0.000648 0.003286 -0.000111 29O 1dxy 0.000786 0.003837 -0.003273 -0.000759 0.000360 0.002878 29O 2dz2 0.016361 0.064768 -0.075537 0.018634 0.032428 -0.032380 29O 2dxz -0.022774 0.077142 -0.095209 -0.025231 -0.018829 -0.016045 29O 2dyz 0.027434 -0.007555 -0.010830 -0.001957 0.022094 -0.003451 29O 2dx2y2 -0.023328 -0.033498 0.075005 -0.003527 -0.018645 -0.018076 29O 2dxy 0.043710 -0.075971 0.066568 -0.007015 -0.045234 0.038391 29O 1f0 0.001003 -0.015780 0.016417 -0.000693 -0.005715 0.002413 29O 1f+1 0.000622 0.008027 -0.009418 0.001769 0.003279 -0.000164 29O 1f-1 0.001481 -0.012640 0.009563 -0.000077 -0.005930 0.004829 29O 1f+2 0.000335 0.004206 -0.006610 -0.000174 0.000766 -0.001447 29O 1f-2 0.002752 -0.010583 0.005940 0.000174 -0.003499 0.001870 29O 1f+3 -0.000937 -0.001653 0.000520 -0.000741 -0.002811 -0.001945 29O 1f-3 -0.002111 0.007456 -0.007379 0.001354 0.002078 -0.003159 30O 1s -0.003363 -0.001366 -0.005701 -0.004290 0.000152 -0.000022 30O 2s -0.010653 -0.006048 -0.018280 -0.014044 0.000103 -0.001080 30O 3s 0.056579 0.076570 0.095586 0.074829 0.002552 0.025831 30O 4s -0.080660 -0.360557 -0.044040 -0.019732 -0.005544 -0.085904 30O 5s -0.149197 0.493829 1.403863 0.252363 0.137424 0.444278 30O 1pz -0.000517 -0.042636 0.132725 0.245298 0.006696 -0.136853 30O 1px -0.068513 -0.000496 0.019348 0.037981 -0.017429 -0.050369 30O 1py -0.047251 -0.077431 0.072013 0.158643 0.014860 -0.154991 30O 2pz 0.041389 0.128329 -0.290838 -0.424029 -0.001227 0.198210 30O 2px 0.068366 -0.083856 0.074850 0.003004 0.026658 0.051359 30O 2py 0.023792 0.087677 0.031743 -0.167751 -0.018549 0.217105 30O 3pz -0.029162 -0.102787 -0.150696 0.226273 -0.259691 -0.524431 30O 3px -0.092874 0.141839 0.655790 0.231812 -0.005072 0.067041 30O 3py 0.051225 -0.072556 0.218473 0.404350 0.262765 0.082145 30O 1dz2 -0.000628 -0.004742 -0.002726 0.006896 0.001278 -0.001769 30O 1dxz -0.004811 -0.001224 0.001586 0.001546 -0.000586 0.000145 30O 1dyz 0.008533 0.002608 0.000309 -0.000291 -0.001593 -0.001161 30O 1dx2y2 0.007956 -0.003363 0.001890 0.001096 -0.000713 -0.002930 30O 1dxy 0.007721 -0.001609 -0.005645 -0.004626 0.001108 0.003945 30O 2dz2 0.006265 -0.026847 -0.025200 -0.035291 0.032249 0.108528 30O 2dxz -0.017824 -0.009271 -0.014884 0.009332 -0.006388 -0.014311 30O 2dyz 0.089616 -0.006791 -0.067674 0.022289 -0.020515 -0.085819 30O 2dx2y2 0.066661 -0.064224 -0.021013 0.010915 -0.005879 -0.052528 30O 2dxy 0.051718 -0.008604 0.040870 0.018871 0.027794 0.032423 30O 1f0 -0.001959 -0.001033 0.007451 -0.002879 0.002533 0.002225 30O 1f+1 -0.000966 -0.004833 -0.004857 -0.005163 0.001331 0.002779 30O 1f-1 0.004215 -0.003195 -0.000568 0.007569 -0.003379 -0.006316 30O 1f+2 0.006097 0.002330 -0.002759 0.003801 -0.000580 -0.011226 30O 1f-2 -0.009628 0.004748 -0.005986 -0.001632 -0.002583 -0.002021 30O 1f+3 0.012908 -0.001474 0.000614 0.000192 0.003544 -0.000470 30O 1f-3 0.007060 0.002207 0.003237 -0.009790 0.004203 0.013590 31O 1s 0.003600 0.000984 -0.005731 0.002236 0.003613 -0.000671 31O 2s 0.011437 0.004802 -0.018423 0.007595 0.011530 -0.000659 31O 3s -0.061150 -0.068720 0.098053 -0.041976 -0.057270 -0.025616 31O 4s 0.085173 0.350393 -0.055230 0.019014 -0.005786 0.122787 31O 5s 0.115080 -0.445959 1.434432 -0.280585 -0.174531 -0.435848 31O 1pz 0.003832 -0.036949 -0.138431 0.129863 0.215155 -0.120332 31O 1px -0.068414 -0.000281 -0.023882 0.002374 0.044634 -0.053353 31O 1py -0.044983 -0.071880 -0.075421 0.097633 0.135551 -0.151237 31O 2pz 0.032087 0.122832 0.297490 -0.217356 -0.379953 0.186870 31O 2px 0.070407 -0.085102 -0.066269 0.030951 -0.009265 0.032736 31O 2py 0.023076 0.077005 -0.027367 -0.104940 -0.138485 0.199213 31O 3pz -0.033965 -0.080796 0.155539 -0.098793 0.330965 -0.549435 31O 3px -0.077211 0.117671 -0.674424 0.116736 0.215518 0.035346 31O 3py 0.060371 -0.075248 -0.230230 0.419539 0.229590 0.109345 31O 1dz2 0.000634 0.004517 -0.002675 -0.004538 -0.005581 0.001468 31O 1dxz 0.004760 0.001627 0.001643 -0.000172 -0.001647 0.000082 31O 1dyz -0.008489 -0.002571 0.000380 0.001308 -0.000427 0.002638 31O 1dx2y2 -0.008056 0.003487 0.001671 -0.000275 -0.001258 0.003919 31O 1dxy -0.007564 0.001299 -0.006017 0.001384 0.004589 -0.004124 31O 2dz2 -0.006765 0.030030 -0.025492 -0.006320 0.047134 -0.125336 31O 2dxz 0.018324 0.010447 -0.015113 0.000465 -0.012087 0.012421 31O 2dyz -0.087637 0.003454 -0.068079 0.007786 -0.026229 0.096759 31O 2dx2y2 -0.067066 0.065917 -0.023364 -0.001885 -0.009067 0.068673 31O 2dxy -0.052344 0.009324 0.041324 -0.032489 -0.004606 -0.036005 31O 1f0 -0.001783 -0.001454 -0.007431 0.001132 -0.003636 0.001811 31O 1f+1 -0.000891 -0.004990 0.005243 -0.001201 -0.005552 0.002297 31O 1f-1 0.004314 -0.002920 0.000980 0.000974 0.008193 -0.007421 31O 1f+2 0.005928 0.002885 0.002966 0.001757 0.003581 -0.011702 31O 1f-2 -0.009804 0.004850 0.005572 -0.003333 -0.000375 -0.000541 31O 1f+3 0.012870 -0.001349 -0.000348 0.003392 -0.001425 -0.000915 31O 1f-3 0.007191 0.001429 -0.003211 -0.001578 -0.010856 0.015467 32O 1s 0.001244 0.017442 0.015789 0.010090 -0.004433 0.004392 32O 2s 0.005001 0.054319 0.049775 0.032518 -0.014047 0.015799 32O 3s -0.048792 -0.228969 -0.224191 -0.164900 0.065063 -0.121652 32O 4s 0.096620 0.106276 0.209246 0.180590 -0.015826 0.244110 32O 5s 0.074483 -0.975896 -1.225048 -0.591722 0.071411 -0.175282 32O 1pz -0.049186 -0.090618 -0.161419 -0.034769 -0.008865 -0.025165 32O 1px 0.017185 0.346830 0.493584 0.124814 0.011880 0.060427 32O 1py 0.083648 0.187618 0.255128 0.121447 -0.007212 0.143379 32O 2pz 0.035391 0.081149 0.193717 -0.040801 0.021485 0.057768 32O 2px -0.066355 -0.332420 -0.582787 -0.126587 -0.053504 -0.102200 32O 2py -0.090346 -0.528497 -0.603984 -0.288459 0.056971 -0.188914 32O 3pz -0.077140 -0.049215 -0.099986 0.055194 0.034154 -0.003810 32O 3px -0.021296 0.216196 0.238653 0.035356 -0.036486 -0.012554 32O 3py 0.094650 -0.130547 -0.071423 -0.032461 0.027803 0.038553 32O 1dz2 -0.000599 0.005618 0.005033 0.002937 -0.002197 -0.000259 32O 1dxz -0.000461 0.006617 0.005318 0.005447 -0.000929 0.000719 32O 1dyz 0.000775 0.000758 -0.000921 0.003400 0.000268 -0.000071 32O 1dx2y2 -0.000095 -0.005728 -0.003628 -0.003307 0.001446 -0.000322 32O 1dxy -0.000768 -0.003820 -0.003088 0.000232 0.001028 -0.003167 32O 2dz2 -0.013394 -0.071828 -0.073457 -0.035268 0.000557 0.030546 32O 2dxz 0.024968 -0.082673 -0.094488 0.027930 0.018079 0.013390 32O 2dyz -0.025918 0.001336 -0.011583 -0.020084 0.009908 0.006300 32O 2dx2y2 0.022174 0.037570 0.072647 0.019617 -0.005390 0.017778 32O 2dxy -0.044748 0.077787 0.062155 0.044853 -0.023107 -0.033890 32O 1f0 0.001297 -0.015910 -0.015135 -0.005130 0.002900 0.001571 32O 1f+1 0.000236 0.009286 0.009613 0.004077 -0.000605 -0.000010 32O 1f-1 0.001876 -0.014101 -0.009532 -0.005484 0.003591 0.004557 32O 1f+2 0.000020 0.005508 0.006966 0.001010 -0.000801 -0.001739 32O 1f-2 0.002912 -0.010070 -0.005102 -0.002679 0.002767 0.001305 32O 1f+3 -0.000750 -0.002288 -0.000716 -0.002999 0.000941 -0.002125 32O 1f-3 -0.002320 0.007523 0.006836 0.002535 -0.000401 -0.003008 33O 1s 0.001706 0.000909 -0.003193 -0.004871 0.003988 -0.000152 33O 2s 0.004496 0.005559 -0.012672 -0.010819 0.010195 -0.000795 33O 3s -0.004542 -0.082754 0.116496 -0.035126 -0.011000 0.005504 33O 4s -0.160367 0.387944 -0.333350 0.559975 -0.214529 -0.003596 33O 5s -0.024956 -0.204933 0.687039 -0.276311 -0.432175 0.212695 33O 1pz 0.018411 0.193379 -0.156976 0.048835 0.075531 0.173063 33O 1px 0.034108 0.042853 -0.061254 -0.094034 0.082903 0.120527 33O 1py -0.015601 -0.140570 0.180286 -0.013805 -0.073057 -0.298572 33O 2pz -0.089913 -0.211015 0.237105 0.125962 -0.211859 -0.212439 33O 2px 0.024532 -0.177123 0.136583 -0.104149 0.016891 -0.189567 33O 2py 0.003492 0.217928 -0.246501 0.009682 0.107237 0.429478 33O 3pz 0.004841 0.287885 0.137327 -0.242431 0.147804 0.364339 33O 3px 0.075911 -0.063115 -0.383274 0.000602 0.244421 0.054453 33O 3py -0.031859 -0.047480 0.203398 -0.446406 0.109316 -0.362153 33O 1dz2 -0.000124 -0.010289 0.006745 -0.004291 0.001976 -0.003172 33O 1dxz -0.002918 0.002583 -0.000461 0.009890 -0.001749 -0.001374 33O 1dyz 0.000915 0.000285 0.003663 -0.006810 0.005826 0.005185 33O 1dx2y2 0.002021 -0.003488 -0.002509 0.000459 -0.000143 -0.000045 33O 1dxy -0.001027 0.000184 0.002251 0.003339 -0.001195 -0.005128 33O 2dz2 0.045511 -0.153893 0.066523 -0.053992 -0.012522 0.073055 33O 2dxz 0.012665 -0.054970 -0.044032 0.067754 0.010167 -0.019796 33O 2dyz 0.039318 -0.067552 0.057886 -0.186510 0.014536 0.005692 33O 2dx2y2 -0.003229 -0.004129 -0.021370 0.153520 -0.031779 -0.002942 33O 2dxy 0.003185 0.034502 -0.032569 0.141390 -0.026331 0.031597 33O 1f0 -0.004601 0.008285 0.001969 -0.016251 0.003315 -0.005068 33O 1f+1 -0.002214 -0.001113 0.005068 -0.016371 0.005713 -0.010498 33O 1f-1 -0.001124 -0.002025 -0.000905 0.007390 0.001056 -0.000811 33O 1f+2 -0.002036 0.006064 -0.001867 0.006930 -0.006801 -0.000251 33O 1f-2 0.004136 -0.006184 -0.000219 0.001670 0.005787 0.006003 33O 1f+3 -0.004928 0.008804 0.000283 -0.006384 0.000137 -0.005319 33O 1f-3 0.003117 -0.006923 0.005420 0.006439 -0.002200 0.009023 34O 1s 0.002208 -0.007782 -0.008090 -0.001707 0.004406 -0.004341 34O 2s 0.005567 -0.026857 -0.027496 -0.005540 0.015481 -0.016168 34O 3s -0.005167 0.178316 0.182384 0.042930 -0.109213 0.127613 34O 4s -0.125634 -0.279312 -0.348966 -0.102039 0.248823 -0.452089 34O 5s 0.614084 0.300988 1.404151 -0.183426 -0.389201 0.538586 34O 1pz -0.029408 0.075305 0.027110 0.002501 0.255122 -0.260383 34O 1px 0.050276 -0.051993 -0.054095 0.002577 0.077401 -0.098484 34O 1py 0.041171 0.096867 -0.083942 -0.019365 0.219105 -0.299173 34O 2pz 0.059339 -0.122065 -0.012153 0.013008 -0.366933 0.411947 34O 2px -0.035613 0.087923 0.153699 -0.065470 -0.111939 0.086122 34O 2py -0.081379 -0.176641 0.044895 0.053551 -0.291493 0.436293 34O 3pz -0.148174 0.085541 -0.117129 0.134105 0.315541 -0.452870 34O 3px 0.013926 -0.076405 0.477629 -0.079158 0.011643 -0.207928 34O 3py 0.236662 0.056185 -0.069667 -0.030802 0.227515 -0.067745 34O 1dz2 -0.002375 -0.004403 -0.002261 0.003522 0.001223 -0.001128 34O 1dxz 0.005968 0.000248 0.000238 -0.000438 -0.005367 0.004178 34O 1dyz -0.012353 0.000830 -0.001911 0.001456 0.003351 -0.006433 34O 1dx2y2 -0.007137 -0.002886 -0.004183 -0.001121 -0.002588 0.007984 34O 1dxy -0.008991 -0.004192 -0.001135 0.001966 -0.001531 0.004137 34O 2dz2 -0.047502 -0.031148 -0.057314 0.030048 0.047986 -0.044890 34O 2dxz 0.080989 0.025486 0.046945 0.015810 0.031547 -0.001807 34O 2dyz -0.155383 -0.019173 -0.030104 0.039542 0.028555 -0.106142 34O 2dx2y2 -0.094299 -0.047715 0.002334 0.005247 0.044407 -0.051779 34O 2dxy -0.103570 -0.058296 -0.119409 0.004766 0.064108 -0.051084 34O 1f0 -0.002816 0.001964 0.002412 -0.002430 0.000297 -0.010636 34O 1f+1 0.001859 -0.001129 -0.001793 -0.000756 -0.005514 0.004306 34O 1f-1 -0.006568 0.002159 0.000510 0.001201 0.001693 -0.003907 34O 1f+2 -0.012417 -0.004776 -0.001941 0.006847 0.007579 -0.005833 34O 1f-2 0.003239 0.002381 -0.006396 -0.000935 -0.002052 0.001866 34O 1f+3 -0.009376 0.003554 0.004517 0.000989 0.001275 -0.004951 34O 1f-3 -0.012161 0.003634 0.002883 -0.009689 -0.005794 0.005579 35O 1s 0.000686 -0.008459 -0.006390 -0.009616 0.001682 -0.002423 35O 2s 0.002636 -0.030027 -0.020897 -0.035211 0.006715 -0.007821 35O 3s -0.027024 0.227528 0.125198 0.274081 -0.053138 0.035625 35O 4s 0.134828 -0.606318 -0.093898 -0.885631 0.175063 0.066415 35O 5s -0.317706 1.141415 0.853066 1.731331 -0.680589 0.264727 35O 1pz -0.016041 -0.122383 -0.087227 0.463710 -0.133132 0.126526 35O 1px 0.050553 -0.160605 -0.046791 0.017814 0.045889 0.078288 35O 1py -0.115782 0.246441 0.049575 -0.289735 -0.008623 -0.265627 35O 2pz -0.011735 0.244356 0.120925 -0.591069 0.131501 -0.158869 35O 2px -0.049468 0.190638 0.142196 -0.097729 -0.097874 -0.020738 35O 2py 0.149548 -0.375439 -0.021561 0.509812 -0.064644 0.424275 35O 3pz 0.033393 -0.174945 -0.012520 0.124749 -0.060873 0.326915 35O 3px 0.018027 0.199771 0.606696 0.251930 -0.075835 0.395755 35O 3py -0.063948 0.164954 0.371925 -0.381314 -0.048070 -0.230311 35O 1dz2 -0.000878 0.003905 -0.001431 -0.006075 0.000357 -0.001879 35O 1dxz -0.000837 0.002290 -0.004447 -0.010766 0.001868 -0.001813 35O 1dyz -0.000306 0.000376 0.001739 0.007251 -0.004218 0.001028 35O 1dx2y2 -0.001302 0.006682 0.000042 -0.005654 0.004204 -0.007270 35O 1dxy 0.002150 -0.002249 -0.002960 0.006978 -0.000033 0.002162 35O 2dz2 -0.013316 0.036075 -0.087793 0.071756 0.002899 0.000796 35O 2dxz -0.055137 0.074713 -0.026123 0.110977 -0.056600 0.032778 35O 2dyz -0.051753 0.084147 -0.001584 0.245568 -0.080800 -0.017055 35O 2dx2y2 0.030214 0.008607 0.020086 -0.066434 0.052315 0.047666 35O 2dxy -0.020993 0.047030 0.046987 0.112111 -0.045840 -0.024070 35O 1f0 -0.000586 -0.008274 0.007190 0.001146 -0.002010 -0.008790 35O 1f+1 -0.003503 0.001234 0.003303 -0.010986 0.000054 -0.009107 35O 1f-1 -0.001400 0.008585 -0.003879 0.010926 -0.004662 -0.001629 35O 1f+2 -0.000781 0.001079 -0.006364 -0.004155 0.003799 -0.003151 35O 1f-2 -0.000103 0.003903 -0.003723 0.003291 -0.001609 0.006765 35O 1f+3 -0.003257 -0.009978 -0.000911 0.013050 -0.004567 -0.008058 35O 1f-3 0.003905 0.004260 -0.002405 -0.005404 0.004999 0.008016 468 469 470 471 472 473 2.75876 2.77272 2.77793 2.78758 2.79546 2.80333 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s -0.000075 -0.000856 -0.000065 0.001431 -0.000200 0.000637 0Rh 2s 0.003751 0.003853 -0.002563 -0.019777 0.002871 -0.012170 0Rh 3s 0.001838 -0.002725 -0.001945 -0.003557 0.000565 -0.003630 0Rh 4s -0.019563 -0.020213 0.013362 0.102969 -0.014884 0.063361 0Rh 5s 0.050797 0.029950 -0.038182 -0.231176 0.032594 -0.149475 0Rh 6s -0.084205 0.010425 0.073525 0.262589 -0.029082 0.194884 0Rh 7s 0.307186 0.011655 -0.246182 -0.624629 -0.072142 -0.658072 0Rh 8s -0.009280 -0.116504 -0.046241 0.026112 0.112800 0.149646 0Rh 1pz 0.003611 -0.011595 -0.000950 0.011266 0.000739 -0.000359 0Rh 1px 0.001208 -0.001856 -0.003401 0.004422 0.001839 0.000908 0Rh 1py -0.003991 0.000858 0.013433 0.001235 -0.012904 -0.001524 0Rh 2pz -0.013363 0.042490 0.003541 -0.041273 -0.002152 0.001637 0Rh 2px -0.004045 0.007431 0.012299 -0.017291 -0.006928 -0.004389 0Rh 2py 0.014680 -0.003301 -0.049548 -0.004799 0.047256 0.005379 0Rh 3pz 0.020047 -0.054278 -0.005539 0.054188 -0.008624 -0.008974 0Rh 3px -0.002418 -0.022585 -0.012763 0.045259 0.012857 0.027503 0Rh 3py -0.020837 0.007476 0.072503 0.011233 -0.060191 -0.002485 0Rh 4pz 0.014637 -0.092483 -0.005254 0.070237 0.050808 0.026192 0Rh 4px 0.037844 0.038863 -0.035537 -0.062475 -0.002551 -0.080126 0Rh 4py -0.016704 -0.006203 0.050911 -0.006774 -0.098811 -0.030015 0Rh 5pz -0.034805 0.228835 0.022344 -0.116706 -0.090279 -0.049755 0Rh 5px -0.061922 -0.067870 0.062862 0.106894 0.000715 0.134866 0Rh 5py 0.021629 0.003877 -0.071426 -0.009624 0.219250 0.060818 0Rh 6pz -0.085613 -0.548158 0.058952 -0.153226 -0.056622 -0.001886 0Rh 6px 0.010257 0.319998 0.013163 -0.151404 -0.102628 -0.159253 0Rh 6py 0.043685 0.142888 -0.172294 -0.240671 -0.135382 -0.009562 0Rh 1dz2 0.000961 -0.002550 0.005690 -0.015286 0.009336 -0.006373 0Rh 1dxz 0.003557 -0.014110 -0.004356 -0.001085 0.002599 -0.007121 0Rh 1dyz 0.013078 -0.006498 0.014948 0.006922 -0.020534 -0.002868 0Rh 1dx2y2 -0.008484 0.010345 0.006969 0.017561 -0.008494 0.008988 0Rh 1dxy 0.001129 0.000667 0.021682 0.001950 -0.008248 -0.000205 0Rh 2dz2 0.000584 0.002628 0.000216 -0.000056 0.004561 0.000345 0Rh 2dxz -0.000396 0.001349 0.000346 0.001486 -0.001613 0.000632 0Rh 2dyz 0.002828 0.003014 -0.000579 0.000576 0.008719 -0.000270 0Rh 2dx2y2 0.000462 -0.002086 -0.000575 -0.001105 0.003092 -0.001328 0Rh 2dxy 0.001063 0.000070 0.000526 -0.001087 0.004168 -0.000827 0Rh 3dz2 -0.005353 -0.004588 -0.017814 0.045301 -0.048710 0.017159 0Rh 3dxz -0.008473 0.035398 0.011197 -0.003738 -0.000280 0.018012 0Rh 3dyz -0.051616 0.005249 -0.041505 -0.023112 0.020455 0.009694 0Rh 3dx2y2 0.022735 -0.020966 -0.017921 -0.046390 0.010902 -0.020257 0Rh 3dxy -0.008358 -0.002339 -0.066280 -0.000777 0.005082 0.004490 0Rh 4dz2 0.007977 0.040205 0.005695 -0.007250 0.078495 0.003873 0Rh 4dxz -0.007218 0.016442 0.004081 0.023105 -0.024478 0.008770 0Rh 4dyz 0.053413 0.045937 -0.003171 0.012088 0.132591 -0.004796 0Rh 4dx2y2 0.004630 -0.027759 -0.006019 -0.013242 0.044838 -0.019349 0Rh 4dxy 0.019466 0.002424 0.015920 -0.016042 0.065443 -0.013725 0Rh 5dz2 -0.009946 -0.147905 0.045728 -0.123205 -0.186002 -0.089688 0Rh 5dxz 0.085444 -0.211679 -0.069205 -0.091228 0.116058 -0.112885 0Rh 5dyz -0.106588 -0.219863 0.190398 0.023659 -0.664407 -0.023342 0Rh 5dx2y2 -0.113315 0.185652 0.102064 0.238273 -0.240026 0.173150 0Rh 5dxy -0.075606 -0.016498 0.175099 0.077447 -0.323454 0.042746 0Rh 1f0 0.020221 -0.023515 -0.068617 0.058182 0.035177 0.015614 0Rh 1f+1 0.015509 0.008055 -0.023594 -0.026459 -0.000696 -0.005740 0Rh 1f-1 0.014115 0.007134 -0.096652 -0.078855 0.026397 0.008014 0Rh 1f+2 0.044680 -0.004761 -0.054513 0.065349 0.018942 -0.019778 0Rh 1f-2 0.047150 0.018750 -0.105100 0.005813 0.090758 0.001492 0Rh 1f+3 -0.021852 0.015965 0.038092 -0.085901 -0.052446 -0.018848 0Rh 1f-3 0.014686 0.014534 -0.025277 -0.004697 -0.010885 -0.004924 1Rh 1s -0.000081 0.000834 -0.000072 0.001420 0.000328 0.000685 1Rh 2s 0.003749 -0.003997 -0.002572 -0.019721 -0.004564 -0.012272 1Rh 3s 0.001799 0.002508 -0.001988 -0.003587 -0.000838 -0.003410 1Rh 4s -0.019547 0.020967 0.013402 0.102679 0.023698 0.063914 1Rh 5s 0.050432 -0.032708 -0.038372 -0.230754 -0.052182 -0.149770 1Rh 6s -0.082477 -0.003412 0.073790 0.262896 0.050551 0.193038 1Rh 7s 0.293893 -0.034483 -0.242058 -0.627295 0.017545 -0.673740 1Rh 8s -0.006886 0.110866 -0.048362 0.022900 -0.104140 0.175928 1Rh 1pz -0.002899 -0.011404 0.000738 -0.010938 -0.000084 0.001129 1Rh 1px -0.001229 -0.001785 0.003364 -0.004523 0.001322 -0.000576 1Rh 1py 0.004925 0.001329 -0.013916 -0.000282 -0.012237 0.001830 1Rh 2pz 0.010779 0.041789 -0.002738 0.040075 0.000859 -0.004426 1Rh 2px 0.004136 0.007181 -0.012168 0.017656 -0.004922 0.003254 1Rh 2py -0.018197 -0.005028 0.051333 0.001314 0.044819 -0.006525 1Rh 3pz -0.017312 -0.053229 0.003955 -0.052727 -0.012474 0.011870 1Rh 3px 0.002069 -0.022501 0.012645 -0.045602 0.007904 -0.027771 1Rh 3py 0.027215 0.009745 -0.075124 -0.006863 -0.057058 0.004523 1Rh 4pz -0.006700 -0.092123 0.005795 -0.067458 0.045104 -0.017902 1Rh 4px -0.037237 0.040262 0.035023 0.061157 0.003380 0.089583 1Rh 4py 0.017042 -0.003341 -0.053354 0.014450 -0.094650 0.030103 1Rh 5pz 0.016669 0.229482 -0.022093 0.110626 -0.080174 0.033555 1Rh 5px 0.061888 -0.069898 -0.061509 -0.103917 -0.009171 -0.153473 1Rh 5py -0.029866 -0.000736 0.078148 -0.007876 0.213322 -0.062119 1Rh 6pz 0.114621 -0.547212 -0.069742 0.167866 -0.032609 -0.000622 1Rh 6px -0.038900 0.320354 -0.022242 0.146000 -0.081876 0.204619 1Rh 6py 0.027148 0.144572 0.156794 0.255812 -0.127923 0.002694 1Rh 1dz2 0.000093 0.002235 0.005714 -0.015285 -0.010914 -0.005950 1Rh 1dxz 0.003468 0.013068 -0.003968 -0.000887 -0.002565 -0.004714 1Rh 1dyz 0.014242 0.006903 0.015580 0.005473 0.020591 -0.004081 1Rh 1dx2y2 -0.007518 -0.009493 0.007173 0.017942 0.009691 0.008606 1Rh 1dxy -0.000499 -0.001031 0.022375 0.001423 0.007485 -0.001161 1Rh 2dz2 0.000353 -0.002537 0.000090 0.000324 -0.004570 0.000588 1Rh 2dxz -0.000311 -0.001372 0.000432 0.001479 0.001715 0.000556 1Rh 2dyz 0.002618 -0.002862 -0.000920 0.001254 -0.008655 0.000386 1Rh 2dx2y2 0.000427 0.002081 -0.000686 -0.000975 -0.003190 -0.000875 1Rh 2dxy 0.000892 -0.000083 0.000383 -0.000810 -0.004290 -0.000427 1Rh 3dz2 -0.001742 0.005104 -0.017303 0.043542 0.053408 0.014779 1Rh 3dxz -0.008593 -0.032221 0.009659 -0.004294 -0.000308 0.011207 1Rh 3dyz -0.054059 -0.007149 -0.041789 -0.021968 -0.020919 0.010249 1Rh 3dx2y2 0.020070 0.018497 -0.018018 -0.048119 -0.013958 -0.021209 1Rh 3dxy -0.002785 0.003467 -0.067663 -0.000506 -0.002271 0.005479 1Rh 4dz2 0.003897 -0.039012 0.003643 -0.001091 -0.079263 0.008040 1Rh 4dxz -0.005920 -0.017208 0.005599 0.023152 0.026226 0.008947 1Rh 4dyz 0.050338 -0.043207 -0.008498 0.022556 -0.131438 0.005433 1Rh 4dx2y2 0.004411 0.027843 -0.007655 -0.010981 -0.046160 -0.012341 1Rh 4dxy 0.016195 -0.002693 0.013846 -0.011614 -0.067611 -0.007789 1Rh 5dz2 -0.002841 0.140583 0.053444 -0.145337 0.172149 -0.100996 1Rh 5dxz 0.078595 0.203626 -0.070046 -0.089702 -0.121845 -0.091311 1Rh 5dyz -0.083633 0.211927 0.216035 -0.027550 0.658274 -0.071126 1Rh 5dx2y2 -0.102500 -0.175449 0.109013 0.234435 0.257820 0.146509 1Rh 5dxy -0.083930 0.013363 0.190028 0.054928 0.322266 0.013371 1Rh 1f0 -0.016917 -0.025938 0.068430 -0.058881 0.027502 -0.015009 1Rh 1f+1 -0.015438 0.007331 0.023351 0.024989 0.000155 0.002812 1Rh 1f-1 -0.008412 0.001549 0.096371 0.075264 0.027410 -0.012503 1Rh 1f+2 -0.043833 -0.001946 0.054931 -0.063981 0.012244 0.028636 1Rh 1f-2 -0.038939 0.015126 0.107069 -0.012027 0.084916 -0.002534 1Rh 1f+3 0.016927 0.017876 -0.038821 0.087078 -0.043654 0.016421 1Rh 1f-3 -0.010438 0.014468 0.023958 0.004748 -0.011376 0.008801 2C 1s 0.007324 0.004935 0.006090 0.005864 0.001494 0.003645 2C 2s 0.024094 0.013881 0.024920 0.023675 0.003224 0.012653 2C 3s -0.275158 0.079572 -0.846757 -0.780443 0.218104 -0.329460 2C 4s 0.972727 -0.915466 4.203795 3.678342 -1.426017 1.460130 2C 5s 1.777802 0.980423 0.881411 0.560152 -0.460011 0.730223 2C 1pz -0.110441 0.026909 -0.291792 -0.275697 0.089460 -0.122772 2C 1px -0.028543 -0.059617 -0.006729 -0.012974 -0.032859 -0.032779 2C 1py -0.079415 -0.012156 -0.178552 -0.166002 0.045109 -0.092363 2C 2pz 1.368638 -0.271706 3.070569 2.872332 -0.945522 1.139061 2C 2px 0.430086 0.413362 0.426156 0.337171 0.030530 0.374871 2C 2py 0.834514 -0.164467 2.095111 1.698171 -0.657731 1.014875 2C 3pz 0.427766 0.158021 0.379519 0.222327 -0.211757 0.247338 2C 3px 0.097994 0.154223 0.037127 0.072313 0.063020 0.055414 2C 3py 0.178376 -0.096892 0.293634 0.254531 -0.037529 -0.087994 2C 1dz2 -0.079360 -0.069503 -0.014582 -0.037875 -0.006961 -0.038360 2C 1dxz -0.009479 0.065730 -0.094140 -0.061276 0.039875 -0.009610 2C 1dyz -0.072763 0.003926 -0.120059 -0.086091 0.007311 -0.025412 2C 1dx2y2 0.020145 -0.025874 0.026938 0.044082 -0.021753 -0.005751 2C 1dxy -0.028630 -0.006398 -0.030723 -0.038425 -0.001594 0.010908 2C 2dz2 0.359178 -0.092841 0.748956 0.690101 -0.299770 0.315033 2C 2dxz 0.141265 -0.038101 0.379605 0.254731 -0.125894 0.200568 2C 2dyz 0.514229 0.032551 1.014978 0.892527 -0.247123 0.472246 2C 2dx2y2 -0.106889 0.338273 -0.518214 -0.495655 0.235349 0.002713 2C 2dxy 0.123654 0.071493 0.101150 0.225968 0.068207 -0.040075 2C 1f0 -0.047918 -0.103362 0.095011 0.064956 -0.013630 -0.046613 2C 1f+1 -0.006438 0.018427 -0.005341 -0.017472 0.000339 -0.026691 2C 1f-1 -0.003580 -0.020713 0.051513 0.051128 -0.027416 0.031638 2C 1f+2 -0.039793 -0.027819 -0.037051 -0.043121 0.041549 -0.078532 2C 1f-2 -0.021788 -0.015967 -0.024119 -0.001856 -0.012259 -0.005860 2C 1f+3 0.004917 0.004368 -0.032684 -0.017364 0.003289 0.000239 2C 1f-3 0.005086 -0.012410 0.031287 0.019427 -0.003395 -0.008506 3C 1s -0.015344 -0.000629 -0.001514 0.002498 -0.007427 0.005711 3C 2s -0.054232 -0.002668 -0.007562 0.012982 -0.023934 0.019241 3C 3s 0.887384 0.160760 0.456137 -0.614181 0.268700 -0.479434 3C 4s -3.504345 -0.974740 -2.545072 3.005411 -0.706195 2.171952 3C 5s -2.091712 -0.960150 -0.828323 -0.417185 -0.537786 1.612387 3C 1pz 0.197187 0.045722 0.114936 -0.122425 0.037494 -0.111993 3C 1px 0.158680 0.012520 -0.008105 -0.031714 0.129886 -0.079870 3C 1py -0.321619 -0.068805 -0.146835 0.210419 -0.100052 0.178340 3C 2pz -1.561199 -0.711400 -1.209647 1.333384 -0.048994 1.182660 3C 2px -1.779516 -0.257540 -0.151023 0.569257 -0.956785 0.880987 3C 2py 3.878048 0.869151 1.675662 -2.068342 0.895116 -1.756662 3C 3pz -0.317096 -0.097555 -0.195790 0.160595 0.151632 0.039846 3C 3px -0.150261 -0.078461 -0.169999 0.054912 -0.039768 0.087796 3C 3py 0.517010 0.230586 0.307871 0.020211 0.123400 -0.434482 3C 1dz2 -0.113213 0.043233 0.015894 -0.008615 -0.073916 -0.000015 3C 1dxz 0.031937 0.023580 0.056881 -0.042430 -0.044065 -0.003834 3C 1dyz -0.217083 -0.004525 0.007918 0.040590 -0.075468 0.025902 3C 1dx2y2 -0.115506 -0.010867 -0.004574 0.000438 -0.046347 0.056451 3C 1dxy -0.060376 -0.074570 -0.104728 0.125098 0.088981 0.017034 3C 2dz2 0.400023 -0.010526 -0.002043 -0.078909 0.255093 -0.079350 3C 2dxz -0.310730 -0.213285 -0.496059 0.442773 0.228110 0.114124 3C 2dyz 1.430606 0.184315 0.331358 -0.609717 0.402292 -0.489791 3C 2dx2y2 0.655208 0.330928 0.552088 -0.523361 -0.064542 -0.505463 3C 2dxy 0.717598 0.238411 0.227317 -0.344390 0.299642 -0.453152 3C 1f0 -0.036232 0.030881 0.020696 -0.033415 -0.048134 -0.015732 3C 1f+1 -0.025767 0.004200 -0.043929 0.020902 0.018715 0.001736 3C 1f-1 0.092038 0.011097 -0.012572 0.044801 0.100491 -0.072877 3C 1f+2 0.015278 0.041776 0.050315 -0.070080 0.004594 -0.054221 3C 1f-2 0.037366 0.011337 -0.000599 0.022239 0.045581 -0.063620 3C 1f+3 -0.018842 0.028392 0.028815 -0.026319 -0.017716 -0.006929 3C 1f-3 -0.022553 0.028147 0.080202 -0.084759 -0.062249 0.019928 4C 1s -0.005408 -0.004912 -0.009466 -0.006386 -0.001058 -0.001791 4C 2s -0.017509 -0.014780 -0.036426 -0.028213 -0.001282 -0.010680 4C 3s 0.444141 0.213346 0.950282 0.928792 -0.167568 0.418932 4C 4s -2.021362 -0.607820 -4.274529 -4.173927 1.002521 -1.813250 4C 5s -0.658236 -0.753460 -0.099633 -0.456773 0.080680 -0.552505 4C 1pz -0.042601 0.106695 -0.237738 -0.187402 0.107571 -0.064058 4C 1px -0.020698 0.030886 -0.015220 -0.032825 -0.029467 0.002852 4C 1py -0.043026 0.055552 -0.135752 -0.126643 0.059641 -0.047813 4C 2pz 0.908445 -0.587781 2.854998 2.420132 -0.977257 1.082205 4C 2px 0.255818 -0.342980 0.507075 0.524988 -0.154020 0.125357 4C 2py 0.659747 -0.415835 1.837339 1.626918 -0.656242 0.737948 4C 3pz 0.757145 0.078805 0.837469 0.300484 -0.090126 -0.364805 4C 3px -0.016153 -0.537610 0.584502 0.131903 -0.227284 -0.273597 4C 3py 0.767432 0.334016 0.677264 0.041386 -0.416225 0.478802 4C 1dz2 0.018326 0.011827 -0.029634 0.014486 -0.010625 0.030043 4C 1dxz 0.025254 0.071521 -0.001168 0.000514 0.037827 0.068151 4C 1dyz -0.020701 -0.010982 0.032520 0.005535 -0.054490 0.017696 4C 1dx2y2 0.047891 0.046029 -0.048631 -0.037396 -0.031220 0.033590 4C 1dxy -0.018762 -0.085351 0.044084 0.067713 0.001774 -0.028316 4C 2dz2 -0.351781 0.057469 -0.698251 -0.568648 0.235027 -0.370417 4C 2dxz -0.129285 0.356734 -0.776674 -0.489891 0.401236 -0.213109 4C 2dyz -0.456013 0.029578 -1.101391 -0.953220 0.405895 -0.492630 4C 2dx2y2 0.147187 -0.347376 0.643765 0.426436 -0.239334 -0.008713 4C 2dxy 0.031623 0.339208 -0.406757 -0.503147 0.174609 0.014423 4C 1f0 -0.031301 -0.085318 0.077638 0.051751 -0.021599 -0.035651 4C 1f+1 0.056209 0.050999 -0.013886 0.040293 -0.037161 0.091359 4C 1f-1 0.044074 -0.003586 0.052509 0.066906 0.006741 0.000600 4C 1f+2 -0.072362 -0.076240 -0.025272 -0.041248 0.044526 -0.105172 4C 1f-2 -0.042449 -0.022769 -0.014177 -0.019009 0.064395 -0.098399 4C 1f+3 0.051316 0.062111 0.024555 -0.005864 -0.052869 0.089598 4C 1f-3 -0.048984 -0.107747 0.073024 0.085395 -0.010425 -0.054547 5C 1s 0.012427 -0.001534 0.004044 -0.005032 0.007641 -0.002476 5C 2s 0.045850 -0.003581 0.015028 -0.022626 0.027893 -0.014083 5C 3s -1.284180 -0.111281 -0.388227 0.707003 -0.557673 0.562087 5C 4s 5.740578 0.832681 1.863756 -3.093551 2.021708 -2.504421 5C 5s 0.801461 0.232705 0.085515 0.045873 0.384305 -0.852562 5C 1pz 0.120383 0.043099 0.080205 -0.097128 -0.004322 -0.063916 5C 1px 0.071769 0.054849 0.039587 -0.026142 0.023367 -0.039955 5C 1py -0.186755 -0.081792 -0.146852 0.166328 0.033695 0.093061 5C 2pz -1.675836 -0.462248 -0.914388 1.116255 -0.327907 0.944006 5C 2px -1.056110 -0.610017 -0.678749 0.723423 -0.117281 0.675396 5C 2py 2.839693 0.877489 1.641415 -1.954889 0.421255 -1.563110 5C 3pz -0.409282 -0.445409 -0.565299 -0.485290 -0.369039 0.872877 5C 3px -0.120247 -0.417433 -0.747930 0.295257 0.472387 0.179747 5C 3py 0.762262 0.165848 1.017183 0.166808 -0.204510 -0.148566 5C 1dz2 0.028176 0.049087 0.033898 -0.013799 -0.006491 -0.027907 5C 1dxz 0.058639 -0.051766 -0.096555 0.102375 0.089423 -0.025893 5C 1dyz -0.092012 0.029551 0.056378 -0.016617 -0.090712 -0.008665 5C 1dx2y2 0.044685 -0.023439 -0.040121 0.026543 0.086765 -0.058381 5C 1dxy 0.025705 -0.017898 -0.039463 0.034497 0.096799 -0.055985 5C 2dz2 -0.150514 -0.082776 -0.212769 0.331753 0.117638 0.138387 5C 2dxz 0.193971 0.309427 0.818059 -0.614094 -0.523687 -0.088260 5C 2dyz -1.157931 -0.267481 -0.333156 0.547850 -0.466396 0.597651 5C 2dx2y2 -0.903178 -0.333218 -0.480445 0.329589 -0.310069 0.624454 5C 2dxy -0.594965 -0.230759 -0.643979 0.554330 0.159272 0.409032 5C 1f0 0.021420 0.041960 0.018181 -0.035112 -0.019194 -0.018901 5C 1f+1 -0.028998 0.062161 -0.035591 0.099123 0.082220 -0.060963 5C 1f-1 0.046821 0.071853 0.026108 0.041540 0.077699 -0.122348 5C 1f+2 0.075490 -0.064715 0.027102 -0.071232 -0.069799 0.091661 5C 1f-2 0.117161 0.012977 -0.052095 0.011857 0.107321 -0.080180 5C 1f+3 -0.098879 -0.013684 0.007773 -0.000133 -0.022690 0.042488 5C 1f-3 0.018254 0.122931 0.062206 -0.097099 -0.025589 -0.103274 6C 1s 0.011663 0.001445 0.003952 -0.004654 -0.008015 -0.003169 6C 2s 0.042570 0.003189 0.014750 -0.021352 -0.029772 -0.016944 6C 3s -1.191256 0.117737 -0.384410 0.682576 0.624056 0.633582 6C 4s 5.332363 -0.858298 1.852988 -3.014746 -2.322318 -2.814297 6C 5s 0.900167 -0.180971 0.050509 0.090392 -0.415587 -0.813307 6C 1pz -0.105435 0.044089 -0.082019 0.099789 0.006064 0.074540 6C 1px -0.063272 0.056291 -0.039928 0.025457 0.026741 0.043001 6C 1py 0.162731 -0.084746 0.150869 -0.172380 0.015690 -0.112091 6C 2pz 1.501987 -0.467306 0.924747 -1.120059 -0.453037 -1.054260 6C 2px 0.973219 -0.622975 0.684110 -0.727702 -0.199959 -0.763210 6C 2py -2.549710 0.892431 -1.663409 1.968769 0.639448 1.762557 6C 3pz 0.471003 -0.389800 0.535663 0.529605 -0.393524 -0.800488 6C 3px 0.166566 -0.398122 0.755047 -0.307227 0.425601 -0.207381 6C 3py -0.771118 0.126629 -1.023399 -0.175998 -0.192567 0.090954 6C 1dz2 0.023643 -0.049414 0.034298 -0.012307 0.004274 -0.033969 6C 1dxz 0.055155 0.054553 -0.099617 0.104285 -0.078375 -0.014839 6C 1dyz -0.084459 -0.029336 0.059378 -0.021235 0.086187 -0.008567 6C 1dx2y2 0.040295 0.022857 -0.043105 0.029149 -0.084353 -0.058267 6C 1dxy 0.020597 0.020474 -0.042162 0.038318 -0.095847 -0.050744 6C 2dz2 -0.133427 0.088897 -0.218960 0.334693 -0.081531 0.179702 6C 2dxz 0.167639 -0.319704 0.838761 -0.645028 0.450798 -0.171764 6C 2dyz -1.065182 0.268741 -0.327697 0.532132 0.522847 0.642928 6C 2dx2y2 -0.814219 0.329527 -0.478308 0.324900 0.359492 0.657283 6C 2dxy -0.526316 0.230645 -0.661845 0.572499 -0.088839 0.480151 6C 1f0 -0.032115 0.039823 -0.016103 0.035378 -0.015407 0.021639 6C 1f+1 0.009720 0.058119 0.041898 -0.105419 0.077367 0.051823 6C 1f-1 -0.051229 0.066900 -0.021177 -0.048298 0.082550 0.121297 6C 1f+2 -0.060873 -0.059480 -0.032584 0.075387 -0.068897 -0.086047 6C 1f-2 -0.113914 0.009643 0.056707 -0.017869 0.106436 0.071504 6C 1f+3 0.092586 -0.013283 -0.007010 0.001968 -0.023142 -0.040450 6C 1f-3 -0.029325 0.120683 -0.060668 0.096334 -0.012002 0.111628 7C 1s -0.005849 0.004469 -0.009510 -0.006870 0.000746 -0.002575 7C 2s -0.018783 0.013101 -0.036801 -0.029857 -0.000239 -0.013649 7C 3s 0.458740 -0.164026 0.971364 0.951712 0.221862 0.481248 7C 4s -2.038236 0.391395 -4.384088 -4.245114 -1.236963 -2.050266 7C 5s -0.714496 0.711742 -0.083307 -0.463852 -0.128763 -0.536442 7C 1pz 0.030515 0.110076 0.247583 0.182947 0.114552 0.068277 7C 1px 0.016780 0.032595 0.014891 0.033630 -0.027913 0.000824 7C 1py 0.034866 0.059089 0.142492 0.125242 0.066369 0.053062 7C 2pz -0.797058 -0.667563 -2.954081 -2.407063 -1.095217 -1.171737 7C 2px -0.227376 -0.358328 -0.518201 -0.509392 -0.172721 -0.157093 7C 2py -0.587071 -0.472112 -1.914129 -1.624856 -0.743690 -0.810687 7C 3pz -0.807112 0.039528 -0.833879 -0.282329 -0.076162 0.395929 7C 3px -0.000964 -0.521038 -0.589594 -0.097984 -0.195858 0.280909 7C 3py -0.751404 0.331553 -0.688704 0.001093 -0.434854 -0.461450 7C 1dz2 0.013474 -0.011128 -0.029557 0.013992 0.014950 0.027528 7C 1dxz 0.020034 -0.066938 -0.000257 0.008005 -0.031752 0.072785 7C 1dyz -0.017510 0.010752 0.034615 0.003187 0.053980 0.015166 7C 1dx2y2 0.045927 -0.042637 -0.045843 -0.037650 0.035485 0.030085 7C 1dxy -0.017292 0.079840 0.041765 0.063626 -0.002468 -0.025814 7C 2dz2 -0.317783 -0.084377 -0.715324 -0.567440 -0.266461 -0.393942 7C 2dxz -0.109282 -0.348582 -0.806321 -0.461185 -0.421211 -0.215270 7C 2dyz -0.428369 -0.078782 -1.146528 -0.961106 -0.461386 -0.535209 7C 2dx2y2 0.121767 0.346032 0.665765 0.412588 0.244199 -0.003731 7C 2dxy 0.019359 -0.322842 -0.411275 -0.478336 -0.186596 0.005298 7C 1f0 0.028249 -0.081478 -0.077323 -0.047211 -0.018778 0.035767 7C 1f+1 -0.047534 0.047683 0.010556 -0.037904 -0.045941 -0.092050 7C 1f-1 -0.044363 -0.007377 -0.053557 -0.067094 0.004120 -0.001244 7C 1f+2 0.065422 -0.072603 0.026703 0.039119 0.052287 0.106165 7C 1f-2 0.031859 -0.029592 0.016506 0.011689 0.071335 0.101262 7C 1f+3 -0.040575 0.064642 -0.025568 0.012029 -0.056338 -0.086642 7C 1f-3 0.037424 -0.110259 -0.074677 -0.086174 -0.009361 0.051352 8C 1s -0.014525 0.000511 -0.001285 0.002067 0.007799 0.005578 8C 2s -0.050960 0.002446 -0.006947 0.011690 0.025509 0.019428 8C 3s 0.799300 -0.168036 0.461214 -0.608592 -0.333836 -0.542668 8C 4s -3.101210 1.017469 -2.591504 3.019296 1.029533 2.519893 8C 5s -2.191018 0.836770 -0.767531 -0.496347 0.585538 1.462646 8C 1pz -0.177719 0.045870 -0.115944 0.121648 0.052605 0.124573 8C 1px -0.146224 0.011307 0.011442 0.025355 0.132948 0.080105 8C 1py 0.295288 -0.069745 0.147508 -0.207821 -0.122038 -0.199110 8C 2pz 1.451328 -0.714686 1.223968 -1.340084 -0.214208 -1.310982 8C 2px 1.637509 -0.246549 0.133718 -0.532591 -1.015767 -0.902961 8C 2py -3.549252 0.878543 -1.681707 2.049773 1.115252 1.961016 8C 3pz 0.306203 -0.092921 0.203316 -0.167871 0.141240 -0.043993 8C 3px 0.150020 -0.073645 0.167401 -0.045443 -0.053703 -0.083688 8C 3py -0.528310 0.206186 -0.296979 -0.035822 0.146241 0.417068 8C 1dz2 -0.100648 -0.043475 0.018010 -0.011381 0.071803 0.002141 8C 1dxz 0.032615 -0.024013 0.057552 -0.044543 0.038545 -0.007833 8C 1dyz -0.203483 0.004405 0.009487 0.037890 0.075721 0.026597 8C 1dx2y2 -0.109394 0.008980 -0.003344 -0.002021 0.047940 0.051198 8C 1dxy -0.060923 0.075233 -0.107551 0.127893 -0.075991 0.031390 8C 2dz2 0.371885 0.010710 -0.013669 -0.065560 -0.262351 -0.090160 8C 2dxz -0.290204 0.220934 -0.502632 0.454955 -0.177380 0.166785 8C 2dyz 1.307160 -0.187279 0.329593 -0.599298 -0.457226 -0.543689 8C 2dx2y2 0.614866 -0.329573 0.562071 -0.532533 -0.003073 -0.555275 8C 2dxy 0.666134 -0.235307 0.224944 -0.331221 -0.339137 -0.473908 8C 1f0 0.031535 0.031690 -0.021847 0.034851 -0.043442 0.018058 8C 1f+1 0.019128 0.003727 0.044968 -0.021801 0.016102 -0.006692 8C 1f-1 -0.083182 0.008366 0.016764 -0.051144 0.100267 0.070211 8C 1f+2 -0.009189 0.041683 -0.051016 0.070104 0.013162 0.061330 8C 1f-2 -0.033617 0.010721 0.001641 -0.023504 0.045524 0.063876 8C 1f+3 0.017237 0.028490 -0.028987 0.025655 -0.013428 0.010402 8C 1f-3 0.020232 0.030014 -0.082784 0.088214 -0.053702 -0.010892 9C 1s 0.007186 -0.004291 0.006124 0.006255 -0.001078 0.004029 9C 2s 0.023616 -0.011729 0.025213 0.024924 -0.001691 0.014215 9C 3s -0.267775 -0.107707 -0.871423 -0.786989 -0.259893 -0.374857 9C 4s 0.923029 1.010996 4.341111 3.671480 1.608877 1.653902 9C 5s 1.759766 -0.876731 0.888002 0.521606 0.508457 0.652527 9C 1pz 0.106409 0.037195 0.300580 0.275563 0.104624 0.136109 9C 1px 0.027560 -0.054311 0.005885 0.018654 -0.030379 0.038065 9C 1py 0.076311 -0.003800 0.184646 0.169205 0.054897 0.103153 9C 2pz -1.283280 -0.394007 -3.163063 -2.868807 -1.092218 -1.250085 9C 2px -0.393616 0.346935 -0.439335 -0.380127 -0.001434 -0.408393 9C 2py -0.788548 -0.228488 -2.172436 -1.707621 -0.753390 -1.099283 9C 3pz -0.421169 0.136225 -0.389279 -0.208265 -0.231308 -0.239368 9C 3px -0.103095 0.154315 -0.029307 -0.078344 0.054544 -0.063750 9C 3py -0.191570 -0.107658 -0.295606 -0.248832 -0.037808 0.092279 9C 1dz2 -0.075645 0.060040 -0.016350 -0.042022 0.001089 -0.038981 9C 1dxz -0.009951 -0.060938 -0.094246 -0.055414 -0.039987 -0.011392 9C 1dyz -0.068301 -0.008845 -0.123066 -0.086520 -0.010113 -0.030240 9C 1dx2y2 0.018053 0.025803 0.028159 0.041505 0.022603 -0.008937 9C 1dxy -0.029690 0.003889 -0.031780 -0.039553 -0.000572 0.007767 9C 2dz2 0.333597 0.118262 0.771441 0.678307 0.336108 0.332759 9C 2dxz 0.131592 0.040817 0.386043 0.249331 0.139280 0.213642 9C 2dyz 0.479654 0.022739 1.054343 0.907500 0.300443 0.517145 9C 2dx2y2 -0.104498 -0.332750 -0.532117 -0.476669 -0.245261 0.000765 9C 2dxy 0.118712 -0.059878 0.094882 0.233123 -0.061043 -0.024679 9C 1f0 0.042991 -0.097635 -0.094863 -0.061075 -0.009723 0.045036 9C 1f+1 0.004746 0.016354 0.004204 0.016527 0.001888 0.029072 9C 1f-1 0.006055 -0.022397 -0.053836 -0.050739 -0.029725 -0.032057 9C 1f+2 0.033194 -0.025875 0.040162 0.043172 0.049129 0.081273 9C 1f-2 0.020274 -0.016869 0.023846 0.003539 -0.010580 0.009583 9C 1f+3 -0.003949 0.006524 0.034203 0.019482 0.003562 0.002063 9C 1f-3 -0.006541 -0.012034 -0.030815 -0.019245 -0.003101 0.007854 10H 1s 0.037703 -0.092420 0.159056 0.123454 -0.106917 0.023339 10H 2s 0.119950 -0.123566 0.132113 0.182833 0.000926 -0.073276 10H 3s -0.140955 -0.157027 0.027844 -0.027419 -0.045313 -0.077946 10H 1pz -0.042335 -0.073548 -0.085794 -0.043840 -0.000712 -0.096330 10H 1px -0.139941 -0.076471 -0.096749 -0.105873 -0.026191 -0.055311 10H 1py -0.037065 -0.030261 -0.069085 -0.065776 -0.013059 -0.035001 11H 1s 0.029255 0.014828 0.020528 0.057599 0.006665 0.039948 11H 2s 0.339984 0.315804 0.023051 0.119203 0.177013 -0.121487 11H 3s -0.177463 -0.107348 -0.017371 -0.053493 0.013158 -0.031675 11H 1pz 0.053618 0.074829 -0.103189 -0.059578 0.053447 -0.052242 11H 1px 0.126787 0.179090 -0.064432 -0.014026 0.077093 0.023167 11H 1py -0.128211 0.039311 -0.232366 -0.205228 0.060052 -0.041939 12H 1s 0.052047 0.073503 0.026929 0.017853 0.003064 0.070913 12H 2s 0.197274 0.150071 0.181000 -0.068042 0.006468 0.248198 12H 3s -0.208880 -0.221016 0.029010 0.046667 0.073604 -0.227499 12H 1pz -0.160791 -0.034173 -0.176605 -0.184426 0.077519 -0.118796 12H 1px 0.028929 0.093529 -0.053633 -0.063270 0.063563 0.025456 12H 1py 0.071024 0.039794 0.060837 -0.036894 -0.006307 0.072559 13H 1s -0.049123 -0.068892 -0.159038 0.105444 0.092805 0.055216 13H 2s 0.054532 -0.192590 -0.292045 0.142065 0.348977 0.007645 13H 3s 0.119621 0.140539 0.032017 0.042042 0.066835 -0.166447 13H 1pz 0.033737 -0.034569 -0.045697 -0.037244 0.087631 0.004694 13H 1px 0.235870 0.073936 0.050837 -0.073313 0.091190 -0.093800 13H 1py -0.262614 -0.012326 0.020593 0.039460 -0.210123 0.116233 14H 1s -0.134307 -0.030703 0.026742 -0.021802 -0.114652 0.085289 14H 2s -0.296183 -0.080078 0.119114 0.022992 -0.153864 0.235224 14H 3s 0.243524 0.063278 -0.100235 0.148765 0.193009 -0.261437 14H 1pz 0.005944 -0.056545 -0.025332 0.018559 0.043540 0.039764 14H 1px -0.140741 -0.017975 0.098263 -0.028182 -0.104670 0.076469 14H 1py -0.332175 -0.057177 -0.098101 0.099716 -0.077570 0.146170 15H 1s -0.089737 -0.021037 0.026477 0.046217 -0.068534 0.052923 15H 2s -1.070259 0.185718 0.145274 -0.069589 -0.456850 -0.136406 15H 3s 0.381691 0.070182 -0.033191 0.022140 0.106469 -0.098688 15H 1pz 0.460838 0.041046 0.050525 -0.098409 0.118763 -0.092045 15H 1px -0.057644 0.079838 0.165396 -0.169325 -0.163408 -0.017599 15H 1py 0.191580 -0.052025 -0.087625 0.107200 0.114682 0.057116 16H 1s -0.005435 0.019015 -0.008712 -0.024190 0.017438 -0.010718 16H 2s -0.051897 0.103652 0.131415 0.475408 -0.263846 0.264470 16H 3s -0.022113 0.041257 0.039448 0.036110 -0.058181 -0.006447 16H 1pz -0.034457 0.068953 0.068947 0.227259 -0.119217 0.122367 16H 1px 0.004403 -0.028867 -0.013823 -0.022020 0.031309 -0.004979 16H 1py 0.005825 -0.018486 0.006846 0.052807 -0.029239 0.030843 17H 1s 0.002468 0.001551 -0.003898 -0.027976 0.022584 -0.008168 17H 2s -0.142847 0.331631 0.204302 0.383342 -0.283627 0.209823 17H 3s -0.004882 -0.008731 0.028010 0.001351 0.042436 -0.011102 17H 1pz 0.045997 -0.110976 -0.062442 -0.117293 0.060544 -0.081531 17H 1px 0.056559 -0.139558 -0.079608 -0.125101 0.105284 -0.065966 17H 1py -0.025343 0.054496 0.038715 0.061084 -0.058021 0.032987 18H 1s 0.004133 -0.002443 -0.004206 -0.027358 -0.024195 -0.007960 18H 2s -0.147589 -0.310268 0.207449 0.381753 0.308239 0.178535 18H 3s -0.003720 0.014145 0.025133 0.005956 -0.042331 -0.010959 18H 1pz -0.046846 -0.106618 0.064001 0.119479 0.070035 0.072969 18H 1px -0.054541 -0.130159 0.080044 0.125822 0.113599 0.053616 18H 1py 0.027483 0.047156 -0.037663 -0.055233 -0.060499 -0.025929 19H 1s -0.002167 -0.019763 -0.009124 -0.022808 -0.018356 -0.008523 19H 2s -0.081320 -0.082909 0.142897 0.470201 0.297934 0.228341 19H 3s -0.019525 -0.039166 0.040634 0.034710 0.058136 -0.012040 19H 1pz 0.046726 0.058396 -0.073970 -0.224774 -0.133698 -0.105214 19H 1px -0.005358 -0.026687 0.014759 0.023226 0.033364 0.000832 19H 1py 0.004729 -0.019471 -0.011033 -0.056013 -0.037850 -0.031246 20H 1s -0.086006 0.021271 0.028408 0.043487 0.070968 0.056565 20H 2s -0.974644 -0.186027 0.159208 -0.089099 0.430178 -0.150445 20H 3s 0.370915 -0.059131 -0.040416 0.030042 -0.102470 -0.082384 20H 1pz -0.425305 0.039835 -0.048571 0.094480 0.126214 0.094779 20H 1px 0.055849 0.083008 -0.171348 0.178077 -0.146254 0.037064 20H 1py -0.174709 -0.053735 0.093165 -0.113362 0.100049 -0.068612 21H 1s -0.123987 0.026876 0.030521 -0.028155 0.114733 0.080393 21H 2s -0.305356 0.069043 0.124359 0.013754 0.160795 0.203716 21H 3s 0.259052 -0.046306 -0.113041 0.161033 -0.189811 -0.230169 21H 1pz 0.002783 -0.053892 0.025250 -0.019525 0.037693 -0.034918 21H 1px 0.144481 -0.012300 -0.103758 0.035132 -0.102003 -0.059678 21H 1py 0.309022 -0.056503 0.096305 -0.098012 -0.091312 -0.157983 22H 1s -0.045189 0.069372 -0.162550 0.111555 -0.078284 0.069370 22H 2s 0.011811 0.195222 -0.295997 0.150517 -0.323836 0.020572 22H 3s 0.145215 -0.128244 0.021011 0.055596 -0.074346 -0.150238 22H 1pz -0.021593 -0.032190 0.045591 0.036357 0.085830 0.001248 22H 1px -0.232540 0.072613 -0.045765 0.066341 0.100798 0.096383 22H 1py 0.231112 -0.009282 -0.025530 -0.029642 -0.214160 -0.116286 23H 1s 0.045908 -0.065791 0.028748 0.022994 0.001082 0.076094 23H 2s 0.185969 -0.140580 0.187524 -0.059967 -0.003302 0.248314 23H 3s -0.193531 0.204342 0.022902 0.047138 -0.084446 -0.213405 23H 1pz 0.149726 -0.022041 0.185459 0.184889 0.091335 0.124308 23H 1px -0.026216 0.087854 0.057987 0.057157 0.064985 -0.022776 23H 1py -0.065540 0.038031 -0.061299 0.037132 -0.004377 -0.069740 24H 1s 0.026102 -0.010256 0.021991 0.059939 -0.001812 0.042229 24H 2s 0.319775 -0.266281 0.022391 0.148206 -0.168737 -0.116880 24H 3s -0.164411 0.087339 -0.018275 -0.053030 -0.015659 -0.019935 24H 1pz -0.048007 0.067377 0.105791 0.054616 0.054112 0.056844 24H 1px -0.118972 0.160273 0.062864 -0.000674 0.072188 -0.023201 24H 1py 0.118077 0.052790 0.239693 0.204028 0.068033 0.046013 25H 1s 0.034464 0.090596 0.164979 0.114658 0.110371 0.022280 25H 2s 0.121857 0.111838 0.125331 0.165822 -0.002179 -0.079611 25H 3s -0.138187 0.151743 0.035761 -0.027643 0.041617 -0.072778 25H 1pz 0.035009 -0.062864 0.089130 0.053084 0.005721 0.107880 25H 1px 0.133466 -0.068787 0.095319 0.109045 -0.020648 0.059534 25H 1py 0.034657 -0.025312 0.071895 0.072748 -0.008547 0.042594 26O 1s 0.001265 -0.008245 0.003833 0.002447 -0.000982 0.000264 26O 2s 0.004382 -0.028883 0.013911 0.009854 -0.004166 0.000332 26O 3s -0.030895 0.211170 -0.116337 -0.104726 0.054415 -0.002269 26O 4s -0.005672 -0.507155 0.241881 0.247298 -0.268758 -0.082471 26O 5s -0.199556 1.288506 -0.850276 -0.052389 0.793476 0.417911 26O 1pz 0.027518 -0.081511 0.143299 0.095833 -0.181422 0.064050 26O 1px 0.036762 0.111357 -0.037785 -0.046041 -0.021926 0.077977 26O 1py -0.126122 -0.121363 -0.044297 -0.026754 0.102217 -0.198515 26O 2pz -0.015840 0.066678 -0.134179 -0.099302 0.214253 -0.096335 26O 2px -0.011934 -0.155405 0.037923 -0.037451 0.065716 -0.149976 26O 2py 0.194499 0.086573 0.109012 0.062300 -0.155506 0.253307 26O 3pz -0.006172 -0.028299 0.188838 0.166291 -0.086075 0.389750 26O 3px 0.051342 -0.279367 0.057318 -0.017019 -0.148819 0.212922 26O 3py -0.280341 -0.500482 0.150242 0.157122 0.171261 -0.361657 26O 1dz2 -0.002200 0.000254 -0.002641 -0.001908 0.000997 0.006016 26O 1dxz -0.001613 0.000401 -0.002042 -0.001525 0.000486 0.002443 26O 1dyz -0.002574 0.002247 -0.004083 -0.002907 0.003057 -0.000576 26O 1dx2y2 0.004282 -0.002192 0.003310 0.003212 -0.000964 0.003778 26O 1dxy -0.000429 -0.001220 -0.002742 -0.001064 0.003773 0.000454 26O 2dz2 -0.016408 -0.018740 0.013340 0.044743 0.049361 0.039388 26O 2dxz -0.054326 0.082715 -0.165913 -0.065304 0.147123 -0.048842 26O 2dyz -0.000509 0.125913 -0.056330 0.007513 0.120273 0.050474 26O 2dx2y2 -0.007598 -0.119940 0.061322 0.080184 -0.017323 -0.084855 26O 2dxy 0.015378 0.136445 -0.080810 -0.059180 0.058842 0.093716 26O 1f0 -0.004424 -0.009374 0.003410 0.001204 0.000824 -0.011120 26O 1f+1 -0.001408 -0.005566 0.013223 0.012209 -0.001906 -0.000358 26O 1f-1 0.000542 -0.001135 0.004226 0.001879 -0.005027 -0.001576 26O 1f+2 -0.003804 0.003823 -0.003858 -0.006256 0.000731 0.000239 26O 1f-2 0.003132 0.004076 0.004238 0.002395 -0.002420 0.008307 26O 1f+3 -0.009119 -0.011743 0.006093 0.008043 0.004130 -0.009107 26O 1f-3 0.010550 0.012551 -0.002118 0.002808 -0.003571 0.014177 27O 1s 0.001579 -0.002850 -0.004754 0.004549 0.008403 0.000971 27O 2s 0.006357 -0.009633 -0.018378 0.016996 0.031245 0.003015 27O 3s -0.046221 0.067257 0.159027 -0.151703 -0.263057 -0.020210 27O 4s 0.302186 -0.106709 -0.468625 0.353149 0.874493 -0.092954 27O 5s -0.538947 0.646900 1.502971 -0.155701 -1.677489 0.059377 27O 1pz -0.008215 0.274134 0.001943 -0.022529 0.122606 -0.228541 27O 1px -0.050967 0.073776 0.104983 -0.074827 -0.064584 -0.051313 27O 1py -0.208850 0.260299 0.244613 -0.128431 -0.178030 -0.103842 27O 2pz 0.066695 -0.445011 -0.128322 0.091353 -0.063888 0.335455 27O 2px 0.089172 -0.166269 -0.202090 -0.010765 0.040447 0.087480 27O 2py 0.283199 -0.332754 -0.266510 0.192128 0.219323 0.125995 27O 3pz -0.139933 0.346818 0.076111 0.359182 0.143184 -0.476331 27O 3px -0.003584 -0.280982 -0.083586 0.240477 0.227588 0.056193 27O 3py -0.043506 0.480163 0.097224 -0.373199 0.107391 -0.369598 27O 1dz2 -0.002411 0.007446 0.002689 0.001293 0.002265 -0.005983 27O 1dxz -0.001052 0.008330 0.007124 -0.001667 -0.003213 -0.003418 27O 1dyz 0.004009 -0.002452 -0.009319 0.001969 0.007492 0.002459 27O 1dx2y2 -0.005793 -0.000599 -0.002305 -0.003235 -0.000737 -0.003866 27O 1dxy -0.004119 0.002204 -0.003142 -0.000948 0.003379 -0.000621 27O 2dz2 0.015921 0.003450 -0.006662 -0.000660 0.057378 -0.034690 27O 2dxz -0.015509 0.027076 0.199842 -0.096946 -0.225035 0.101211 27O 2dyz 0.120645 0.029118 -0.100274 -0.026700 0.212436 -0.086043 27O 2dx2y2 0.018246 -0.011297 -0.016265 -0.061157 0.043292 -0.017843 27O 2dxy 0.027532 -0.114397 -0.201675 0.057430 0.196681 0.053881 27O 1f0 -0.014474 -0.003011 0.010555 -0.007346 -0.019975 0.009701 27O 1f+1 -0.006810 -0.007703 0.004895 -0.003862 -0.011938 0.012081 27O 1f-1 -0.001593 0.002507 0.002971 0.001441 -0.001193 -0.001895 27O 1f+2 -0.000864 -0.000060 -0.001896 0.008516 0.005015 -0.005406 27O 1f-2 0.000904 0.006493 0.011584 -0.004077 -0.002329 -0.005314 27O 1f+3 -0.006962 0.002333 -0.004925 0.007962 -0.002133 0.006813 27O 1f-3 0.003171 -0.003509 0.006951 -0.011648 -0.013061 0.011617 28O 1s 0.000879 0.000686 -0.001063 0.002066 0.002305 -0.000852 28O 2s 0.003810 0.005484 -0.006838 0.004282 0.010209 -0.001972 28O 3s -0.043506 -0.098964 0.104550 0.009248 -0.107954 -0.003571 28O 4s 0.114689 0.581641 -0.650116 -0.424861 0.483289 -0.016444 28O 5s -0.212633 -0.385744 0.012325 0.683555 -0.333462 0.206934 28O 1pz 0.112943 0.228495 -0.172843 -0.167496 -0.080225 0.165450 28O 1px 0.089587 0.240255 -0.160152 -0.150762 0.045820 0.132514 28O 1py -0.247278 -0.305519 0.021777 -0.020378 0.152691 -0.359051 28O 2pz -0.169059 -0.501729 0.400360 0.268694 0.000203 -0.286019 28O 2px -0.095901 -0.182622 0.054162 0.173731 0.044179 -0.160527 28O 2py 0.357565 0.439803 -0.000960 -0.027035 -0.265697 0.551418 28O 3pz 0.124004 0.254695 -0.273001 0.005026 -0.287477 0.543198 28O 3px 0.133417 0.271277 -0.175010 -0.083630 -0.009841 0.184466 28O 3py -0.243203 -0.320575 -0.152922 0.154471 0.151269 -0.400602 28O 1dz2 0.000038 0.007151 -0.002791 -0.003093 -0.002994 0.008383 28O 1dxz 0.000421 0.007915 -0.002294 -0.001203 0.009165 0.005364 28O 1dyz -0.005659 -0.006708 0.002138 0.006943 -0.001275 -0.006264 28O 1dx2y2 0.002493 -0.002445 0.003252 -0.003048 -0.011466 0.004290 28O 1dxy 0.003739 0.004759 0.000086 0.000372 -0.001898 0.003923 28O 2dz2 -0.073102 -0.065773 0.031124 0.046863 -0.024755 -0.006875 28O 2dxz 0.018093 0.033996 0.009811 -0.003778 0.002542 0.058449 28O 2dyz -0.011766 -0.099204 0.073125 0.173234 -0.130252 0.060790 28O 2dx2y2 0.050755 0.066122 -0.001629 -0.052425 -0.034428 0.057499 28O 2dxy 0.011533 0.008609 0.038590 0.012131 -0.012541 -0.024713 28O 1f0 0.001171 0.001299 -0.002361 0.005062 0.004502 -0.002209 28O 1f+1 0.000676 -0.000513 0.000318 0.000219 0.001071 -0.004493 28O 1f-1 -0.002234 -0.002774 0.000112 -0.006024 0.002466 -0.003070 28O 1f+2 -0.004295 -0.008303 0.002615 0.003038 -0.001151 -0.005821 28O 1f-2 0.005223 0.002997 -0.010356 -0.003777 0.004780 0.001296 28O 1f+3 -0.002398 -0.004582 0.001165 -0.002532 0.000735 -0.004096 28O 1f-3 0.007529 -0.000246 0.007856 0.007433 -0.009076 0.009328 29O 1s -0.006847 0.008348 0.005234 0.012472 -0.001674 0.012522 29O 2s -0.022529 0.026954 0.016389 0.039008 -0.003643 0.040757 29O 3s 0.125688 -0.137171 -0.070503 -0.165755 -0.028912 -0.217688 29O 4s -0.133248 0.186313 0.025294 0.037155 0.126853 0.192510 29O 5s 0.203322 -0.686918 -0.263249 -0.563145 0.390157 -0.361087 29O 1pz 0.007048 -0.003240 0.013776 0.020538 -0.079896 -0.016551 29O 1px 0.003821 -0.140703 -0.048462 -0.011171 0.074891 0.052905 29O 1py 0.051029 -0.115256 -0.026399 -0.015546 -0.004127 -0.047251 29O 2pz 0.002326 -0.040736 -0.020948 0.059536 0.093709 0.075174 29O 2px 0.039730 0.103598 0.013732 -0.101039 -0.032059 -0.154965 29O 2py -0.121714 0.283724 0.109494 0.191683 -0.101929 0.168334 29O 3pz 0.022459 -0.041263 0.007367 0.110747 -0.084516 0.028435 29O 3px 0.009829 0.043549 -0.071809 -0.037281 0.008351 0.034683 29O 3py -0.019352 0.040783 0.089786 0.188216 -0.119384 0.055156 29O 1dz2 -0.000223 0.003331 0.000845 0.005273 -0.000670 0.002880 29O 1dxz -0.002082 0.002995 0.002036 0.002880 -0.002938 0.003194 29O 1dyz 0.000128 -0.000715 -0.000178 0.001155 0.002441 0.000383 29O 1dx2y2 0.002517 -0.004448 -0.001519 -0.004621 0.002023 -0.003971 29O 1dxy 0.001977 -0.001800 -0.002833 -0.003253 0.003087 -0.002265 29O 2dz2 0.003513 0.020669 -0.014820 -0.053521 0.048470 -0.023537 29O 2dxz 0.010559 -0.039765 -0.026089 -0.030043 0.024803 -0.005102 29O 2dyz -0.009690 0.028062 0.008933 -0.041726 0.019594 -0.022354 29O 2dx2y2 0.002199 -0.018937 0.008657 0.012761 0.000955 -0.003074 29O 2dxy -0.019789 0.055634 0.024193 0.058044 -0.022980 0.041009 29O 1f0 -0.002895 0.004984 0.005622 0.012324 -0.009382 0.005005 29O 1f+1 0.001351 -0.002000 -0.002512 -0.004513 0.004714 -0.002594 29O 1f-1 -0.001438 0.000559 0.005054 0.015064 -0.009493 0.008369 29O 1f+2 -0.000720 -0.000316 -0.000529 -0.002537 0.001361 -0.000157 29O 1f-2 -0.003533 0.007704 0.004003 0.009334 -0.003236 0.005271 29O 1f+3 -0.001636 0.002100 0.001000 0.002731 0.000082 0.002953 29O 1f-3 0.000667 -0.004910 -0.000952 -0.002999 0.001446 -0.000731 30O 1s 0.003384 0.004559 -0.002137 -0.000917 -0.000515 0.000120 30O 2s 0.008359 0.016266 -0.002378 -0.006143 -0.006229 0.001007 30O 3s 0.004979 -0.118346 -0.067009 0.086945 0.132303 -0.025213 30O 4s -0.134534 0.309840 0.607502 -0.555851 -0.773230 0.026777 30O 5s -0.054787 -0.236606 0.247821 0.836151 0.588311 0.021000 30O 1pz 0.093472 0.179821 -0.084826 0.231522 0.350265 -0.344352 30O 1px 0.008041 0.110105 0.133811 -0.099504 -0.076830 -0.084813 30O 1py -0.020284 0.100203 -0.166145 0.307312 0.216332 -0.169145 30O 2pz -0.075540 -0.274995 0.029507 -0.330704 -0.375068 0.496127 30O 2px -0.124702 -0.128435 0.017813 0.051906 -0.112404 0.184384 30O 2py -0.025214 -0.084504 0.408220 -0.480698 -0.509850 0.284152 30O 3pz -0.144409 0.389794 0.155204 0.161190 0.286732 -0.402471 30O 3px -0.146428 0.090344 0.276123 -0.027088 -0.084462 -0.116799 30O 3py 0.137206 0.104691 -0.407693 0.249159 0.241540 -0.529258 30O 1dz2 0.001747 0.003949 -0.003125 0.004257 0.004040 -0.009719 30O 1dxz -0.000315 0.000588 0.002758 -0.001310 -0.010830 -0.000249 30O 1dyz -0.008373 -0.001034 0.007281 -0.007010 -0.010288 0.005620 30O 1dx2y2 -0.007471 -0.003012 -0.003273 0.002653 0.006944 -0.004373 30O 1dxy 0.000699 -0.003264 -0.001678 -0.003928 0.006086 -0.000932 30O 2dz2 0.107795 -0.060364 -0.074157 0.010826 0.044371 -0.002523 30O 2dxz 0.008289 0.033987 0.001475 0.043284 0.023260 -0.059971 30O 2dyz -0.045984 0.038356 0.088184 -0.168077 -0.183601 -0.013778 30O 2dx2y2 -0.100973 -0.047212 0.004317 -0.091760 -0.119221 0.022552 30O 2dxy 0.037949 0.019438 0.034881 -0.034416 0.007961 -0.091999 30O 1f0 -0.004109 -0.003220 0.001831 0.006427 -0.005729 0.006058 30O 1f+1 -0.006252 -0.014008 -0.008584 0.005966 -0.000752 0.011602 30O 1f-1 -0.005908 0.000351 0.000068 -0.003711 -0.001921 -0.004034 30O 1f+2 -0.004018 0.006418 -0.000445 0.001568 0.001189 -0.005421 30O 1f-2 0.008469 0.001100 -0.010516 0.007049 0.007722 -0.002718 30O 1f+3 -0.003625 0.002404 0.001695 -0.000425 0.004060 -0.005431 30O 1f-3 0.012156 -0.008588 -0.000983 -0.000611 0.007552 -0.000535 31O 1s 0.003356 -0.004673 -0.002245 -0.000830 0.000618 -0.000557 31O 2s 0.008363 -0.016777 -0.002573 -0.006111 0.006181 -0.001769 31O 3s 0.003167 0.123701 -0.069099 0.092408 -0.125669 0.002836 31O 4s -0.134241 -0.329667 0.633405 -0.601089 0.711247 -0.091275 31O 5s -0.100650 0.279501 0.232109 0.869752 -0.534500 0.174951 31O 1pz -0.126141 0.161193 0.103682 -0.253997 0.349569 0.318835 31O 1px -0.016482 0.110341 -0.134535 0.101558 -0.059598 0.097998 31O 1py -0.011055 0.086572 0.179449 -0.321847 0.197029 0.137522 31O 2pz 0.122098 -0.245709 -0.051729 0.353052 -0.378106 -0.465110 31O 2px 0.136447 -0.125939 -0.025338 -0.040912 -0.124113 -0.182142 31O 2py 0.070258 -0.065107 -0.434055 0.513922 -0.474769 -0.224718 31O 3pz 0.053572 0.365772 -0.127473 -0.190529 0.304398 0.395692 31O 3px 0.148142 0.077949 -0.276420 0.026613 -0.063454 0.094621 31O 3py -0.138797 0.088906 0.420962 -0.257961 0.237747 0.494723 31O 1dz2 0.002290 -0.003538 -0.003469 0.004449 -0.004153 -0.009455 31O 1dxz -0.000444 -0.000541 0.003057 -0.002032 0.010655 -0.000783 31O 1dyz -0.008344 0.000615 0.007766 -0.007644 0.009706 0.004555 31O 1dx2y2 -0.006937 0.003142 -0.003548 0.003131 -0.007030 -0.003994 31O 1dxy 0.000065 0.003048 -0.001770 -0.003574 -0.006401 -0.001013 31O 2dz2 0.090105 0.060634 -0.072706 0.009938 -0.038993 -0.000709 31O 2dxz 0.012238 -0.031265 -0.001627 0.045524 -0.023683 -0.058390 31O 2dyz -0.036855 -0.043645 0.094601 -0.178517 0.166444 -0.041576 31O 2dx2y2 -0.096586 0.043503 0.009744 -0.097966 0.110960 0.008683 31O 2dxy 0.032807 -0.018989 0.035346 -0.034351 -0.016127 -0.096556 31O 1f0 0.004570 -0.003149 -0.002187 -0.006145 -0.006329 -0.006336 31O 1f+1 0.006793 -0.013673 0.008342 -0.005640 -0.001905 -0.012863 31O 1f-1 0.004837 0.000149 0.000103 0.004109 -0.001462 0.004138 31O 1f+2 0.002119 0.006294 0.000831 -0.001821 0.001215 0.005201 31O 1f-2 -0.008806 0.000657 0.010864 -0.007767 0.006885 0.001617 31O 1f+3 0.003378 0.002547 -0.001524 0.000105 0.004439 0.005460 31O 1f-3 -0.009869 -0.008312 0.000772 0.000472 0.007352 0.000199 32O 1s -0.006460 -0.007773 0.005266 0.012682 0.002871 0.012130 32O 2s -0.021021 -0.025181 0.016437 0.039755 0.007477 0.039649 32O 3s 0.111478 0.130309 -0.069377 -0.171410 0.010077 -0.216386 32O 4s -0.100610 -0.186088 0.021596 0.047959 -0.114533 0.196464 32O 5s 0.196013 0.654160 -0.274471 -0.569418 -0.431465 -0.292070 32O 1pz -0.004732 -0.002917 -0.017254 -0.017633 -0.078833 0.023405 32O 1px 0.002436 -0.132691 0.048156 0.014394 0.071504 -0.066616 32O 1py -0.033528 -0.114139 0.024533 0.020464 -0.003953 0.042723 32O 2pz 0.004823 -0.047131 0.024000 -0.058789 0.088174 -0.078644 32O 2px -0.050976 0.097452 -0.011448 0.097216 -0.017450 0.166732 32O 2py 0.101719 0.270861 -0.109035 -0.199361 -0.114035 -0.148402 32O 3pz -0.016772 -0.043282 -0.009395 -0.100885 -0.088870 -0.019617 32O 3px -0.010642 0.051362 0.069167 0.040762 0.007406 -0.032710 32O 3py 0.026782 0.031110 -0.092191 -0.187458 -0.131417 -0.040426 32O 1dz2 -0.000416 -0.003171 0.000886 0.005333 0.001112 0.002613 32O 1dxz -0.002071 -0.002773 0.002148 0.002909 0.003192 0.002925 32O 1dyz -0.000029 0.000736 -0.000180 0.001483 -0.002331 0.000679 32O 1dx2y2 0.002586 0.004236 -0.001578 -0.004620 -0.002398 -0.003550 32O 1dxy 0.001488 0.001611 -0.002793 -0.003154 -0.003249 -0.001949 32O 2dz2 0.011560 -0.022435 -0.018263 -0.050239 -0.053338 -0.019566 32O 2dxz 0.011139 0.038990 -0.025986 -0.029701 -0.026829 -0.002348 32O 2dyz -0.004218 -0.028712 0.006000 -0.041511 -0.024551 -0.019961 32O 2dx2y2 0.004340 0.021645 0.007462 0.013903 -0.001296 -0.002449 32O 2dxy -0.024030 -0.051311 0.024289 0.058234 0.026504 0.037250 32O 1f0 0.003273 0.004273 -0.005527 -0.011239 -0.009496 -0.003504 32O 1f+1 -0.001692 -0.002016 0.002911 0.005032 0.005365 0.002381 32O 1f-1 0.002755 0.000198 -0.005713 -0.015234 -0.010921 -0.007515 32O 1f+2 0.000237 -0.000371 0.000840 0.003259 0.001999 0.000281 32O 1f-2 0.003349 0.007039 -0.003738 -0.009124 -0.003681 -0.004879 32O 1f+3 0.001624 0.002327 -0.001173 -0.003120 -0.000354 -0.002773 32O 1f-3 -0.000944 -0.004566 0.000861 0.002928 0.001541 0.000433 33O 1s 0.000945 -0.000852 -0.001247 0.002150 -0.002107 -0.001174 33O 2s 0.003984 -0.005769 -0.007574 0.004834 -0.009542 -0.003028 33O 3s -0.044698 0.095638 0.111559 0.001000 0.102906 0.002375 33O 4s 0.121454 -0.555403 -0.680121 -0.381458 -0.484323 -0.024262 33O 5s -0.171923 0.387867 0.020563 0.651825 0.368190 0.249382 33O 1pz -0.094102 0.226909 0.167552 0.172944 -0.088599 -0.159788 33O 1px -0.075474 0.234054 0.160644 0.142847 0.039710 -0.132380 33O 1py 0.211600 -0.302544 -0.010815 0.013254 0.179501 0.363515 33O 2pz 0.149462 -0.489289 -0.398664 -0.263992 0.018346 0.286429 33O 2px 0.070917 -0.185892 -0.047248 -0.173664 0.048907 0.154534 33O 2py -0.304746 0.434390 -0.018200 0.038526 -0.301935 -0.553469 33O 3pz -0.063391 0.238272 0.247155 0.014142 -0.328572 -0.518236 33O 3px -0.136772 0.264518 0.180220 0.077541 -0.018895 -0.201406 33O 3py 0.209895 -0.346766 0.152592 -0.171101 0.160803 0.408414 33O 1dz2 -0.000224 -0.007471 -0.002644 -0.003206 0.003408 0.008401 33O 1dxz 0.000235 -0.007612 -0.002626 -0.000243 -0.008821 0.006031 33O 1dyz -0.004970 0.006300 0.002100 0.006739 0.001163 -0.006163 33O 1dx2y2 0.002310 0.002282 0.003725 -0.003836 0.011373 0.003528 33O 1dxy 0.003011 -0.004614 0.000311 0.000412 0.002208 0.003959 33O 2dz2 -0.063451 0.064781 0.032832 0.044448 0.025162 -0.005778 33O 2dxz 0.013203 -0.032411 0.011385 -0.001766 0.001219 0.058479 33O 2dyz -0.010046 0.093344 0.077710 0.159476 0.139615 0.061477 33O 2dx2y2 0.048200 -0.061857 0.000227 -0.050354 0.034734 0.056206 33O 2dxy 0.011893 -0.000531 0.042526 0.016700 0.011557 -0.026132 33O 1f0 -0.001655 0.000580 0.002427 -0.005804 0.004152 0.001624 33O 1f+1 -0.001861 -0.001352 -0.000492 -0.000703 0.001234 0.004220 33O 1f-1 0.001961 -0.002641 0.000153 0.006028 0.003044 0.003370 33O 1f+2 0.004377 -0.007756 -0.002887 -0.002867 -0.001020 0.005792 33O 1f-2 -0.004761 0.003046 0.010776 0.003946 0.004543 -0.001360 33O 1f+3 0.001919 -0.004707 -0.001255 0.002363 0.001110 0.003955 33O 1f-3 -0.006356 0.000196 -0.008206 -0.006567 -0.009789 -0.009430 34O 1s 0.001099 0.002738 -0.005011 0.004861 -0.007950 0.001865 34O 2s 0.004572 0.009287 -0.019298 0.018171 -0.029475 0.006186 34O 3s -0.032834 -0.065165 0.166718 -0.161578 0.246350 -0.045480 34O 4s 0.256875 0.103351 -0.494349 0.386983 -0.829425 -0.025475 34O 5s -0.472994 -0.632008 1.549887 -0.236727 1.611006 -0.036955 34O 1pz -0.038772 0.260757 0.013946 0.009293 0.135254 0.223416 34O 1px 0.037197 0.073408 -0.104638 0.077107 -0.052842 0.063833 34O 1py 0.165046 0.254874 -0.242300 0.131856 -0.151150 0.121314 34O 2pz 0.003811 -0.427692 0.109092 -0.076876 -0.092378 -0.335950 34O 2px -0.071940 -0.165137 0.198737 0.007294 0.031060 -0.094413 34O 2py -0.219721 -0.325632 0.262097 -0.193427 0.183885 -0.152081 34O 3pz 0.061197 0.320148 -0.056212 -0.377360 0.147370 0.449216 34O 3px -0.019422 -0.285043 0.093249 -0.251494 0.208540 -0.066795 34O 3py 0.023593 0.476397 -0.084889 0.358180 0.153155 0.389045 34O 1dz2 -0.002591 -0.007378 0.002666 0.001666 -0.002576 -0.005817 34O 1dxz -0.000335 -0.008151 0.006959 -0.001680 0.002609 -0.003640 34O 1dyz 0.003149 0.002427 -0.009399 0.002269 -0.006783 0.002478 34O 1dx2y2 -0.004686 0.000511 -0.002351 -0.003223 0.000407 -0.004457 34O 1dxy -0.003496 -0.002155 -0.003300 -0.000688 -0.003397 -0.000710 34O 2dz2 0.008720 -0.004560 -0.007838 0.003386 -0.058564 -0.032230 34O 2dxz -0.021187 -0.032601 0.208330 -0.109610 0.215242 0.079863 34O 2dyz 0.109699 -0.027562 -0.106519 -0.015274 -0.211972 -0.079335 34O 2dx2y2 0.011914 0.008073 -0.016687 -0.058952 -0.046870 -0.020944 34O 2dxy 0.022633 0.111868 -0.207171 0.067114 -0.182648 0.071260 34O 1f0 0.013456 -0.002547 -0.011281 0.008235 -0.019268 -0.009115 34O 1f+1 0.007854 -0.007169 -0.005465 0.004770 -0.012000 -0.011643 34O 1f-1 0.000936 0.002441 -0.002901 -0.001592 -0.001003 0.001622 34O 1f+2 -0.000356 -0.000468 0.002380 -0.008596 0.004558 0.004137 34O 1f-2 -0.000629 0.006609 -0.011795 0.004146 -0.001398 0.005950 34O 1f+3 0.006173 0.002397 0.004880 -0.007934 -0.003194 -0.007505 34O 1f-3 -0.001869 -0.003053 -0.007646 0.012230 -0.012559 -0.010790 35O 1s 0.001043 0.007993 0.003948 0.001978 0.000981 0.000428 35O 2s 0.003712 0.027910 0.014321 0.008100 0.004192 0.000778 35O 3s -0.029057 -0.203242 -0.119970 -0.089423 -0.056080 -0.004029 35O 4s 0.013384 0.476352 0.251194 0.195242 0.269705 -0.092316 35O 5s -0.172932 -1.221774 -0.883066 0.067903 -0.748865 0.467003 35O 1pz -0.016886 -0.060803 -0.144494 -0.071947 -0.184538 -0.059330 35O 1px -0.028758 0.111703 0.040115 0.048905 -0.023614 -0.076103 35O 1py 0.097688 -0.131407 0.042051 0.009936 0.109701 0.197970 35O 2pz 0.004428 0.039313 0.132420 0.069165 0.217962 0.092903 35O 2px 0.014562 -0.157749 -0.041509 0.028570 0.074790 0.150037 35O 2py -0.147838 0.106134 -0.106234 -0.034432 -0.164061 -0.251112 35O 3pz 0.048967 -0.011754 -0.191611 -0.155397 -0.106334 -0.413489 35O 3px -0.000001 -0.265641 -0.064288 0.048058 -0.152770 -0.216862 35O 3py 0.262734 -0.508983 -0.150443 -0.171560 0.191787 0.348440 35O 1dz2 -0.002296 -0.000608 -0.002798 -0.001981 -0.000792 0.006476 35O 1dxz -0.001562 -0.000937 -0.002252 -0.001718 -0.000421 0.002724 35O 1dyz -0.002463 -0.001813 -0.004219 -0.002418 -0.003173 -0.000050 35O 1dx2y2 0.003328 0.001838 0.003384 0.002873 0.001280 0.003886 35O 1dxy -0.000244 0.001452 -0.002749 -0.000549 -0.003598 0.001012 35O 2dz2 -0.016998 0.019889 0.010892 0.049161 -0.046146 0.048080 35O 2dxz -0.048634 -0.078160 -0.173651 -0.052828 -0.149050 -0.046577 35O 2dyz -0.003570 -0.114462 -0.059784 0.023967 -0.115566 0.062160 35O 2dx2y2 -0.002603 0.116590 0.062174 0.076079 0.015746 -0.086260 35O 2dxy 0.012320 -0.131650 -0.083444 -0.050759 -0.054017 0.097265 35O 1f0 0.003265 -0.009254 -0.003297 -0.001120 0.001661 0.011161 35O 1f+1 0.000522 -0.006009 -0.013271 -0.012424 -0.002020 -0.000266 35O 1f-1 -0.000860 -0.000699 -0.004335 -0.001270 -0.004977 0.002529 35O 1f+2 0.003450 0.003658 0.004044 0.005989 0.000996 0.000083 35O 1f-2 -0.002228 0.004036 -0.004638 -0.002525 -0.003074 -0.008402 35O 1f+3 0.007949 -0.011251 -0.005730 -0.007972 0.004722 0.008879 35O 1f-3 -0.009599 0.012140 0.001689 -0.002794 -0.004894 -0.014478 474 475 476 477 478 479 2.81068 2.82459 2.89442 2.91646 2.92677 2.92943 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s 0.000720 0.000323 -0.000338 -0.005334 -0.000080 -0.000090 0Rh 2s -0.004464 -0.003225 0.004182 0.044746 0.000153 0.000428 0Rh 3s 0.001549 -0.000046 0.000538 -0.004416 -0.000382 -0.000272 0Rh 4s 0.023440 0.016825 -0.021869 -0.234627 -0.000891 -0.002304 0Rh 5s -0.042826 -0.035038 0.048148 0.467558 0.000800 0.004230 0Rh 6s 0.022310 0.027534 -0.049708 -0.308008 0.001473 -0.002411 0Rh 7s -0.167232 0.050201 0.089807 0.034838 0.028907 -0.039883 0Rh 8s 0.204231 -0.059339 0.036661 -0.218019 -0.053342 -0.009828 0Rh 1pz -0.012299 0.007623 0.003369 0.002416 0.000249 -0.002596 0Rh 1px -0.005797 -0.000072 0.001867 -0.003953 0.000809 0.000872 0Rh 1py 0.004975 0.012202 -0.001907 0.000229 -0.001726 -0.002382 0Rh 2pz 0.044192 -0.027711 -0.012621 -0.009190 -0.001138 0.009274 0Rh 2px 0.020436 0.000385 -0.006809 0.015378 -0.002984 -0.003468 0Rh 2py -0.018020 -0.043692 0.007113 -0.000748 0.006370 0.009248 0Rh 3pz -0.038998 0.030874 0.021474 0.018751 0.006353 -0.006919 0Rh 3px -0.009596 -0.003041 0.007844 -0.037115 0.004253 0.009910 0Rh 3py 0.018787 0.035136 -0.011808 -0.001047 -0.009309 -0.023192 0Rh 4pz -0.160523 0.076351 0.005437 -0.010931 -0.019441 -0.038687 0Rh 4px -0.110599 0.010012 0.018362 0.033800 0.004008 -0.014266 0Rh 4py 0.054972 0.173869 -0.001969 0.010324 -0.006405 0.032560 0Rh 5pz 0.312101 -0.165106 -0.019480 0.015517 0.040207 0.076025 0Rh 5px 0.222975 -0.019300 -0.039541 -0.016753 -0.009004 0.016081 0Rh 5py -0.117622 -0.342641 0.000354 -0.016914 0.010980 -0.068361 0Rh 6pz 0.021806 0.225990 -0.285393 0.208189 -0.084851 -0.214338 0Rh 6px -0.459901 0.085070 -0.045101 -0.127452 0.038749 0.105903 0Rh 6py 0.201813 0.160229 0.067082 -0.245333 -0.063729 0.123858 0Rh 1dz2 -0.005541 -0.001669 0.026111 -0.002266 0.023878 -0.010368 0Rh 1dxz 0.025682 -0.010000 0.014386 0.000375 0.014578 0.006928 0Rh 1dyz -0.003082 -0.008572 0.005083 0.000918 -0.008114 0.005534 0Rh 1dx2y2 0.005520 0.014066 0.016730 0.001120 0.021216 -0.004944 0Rh 1dxy -0.004175 -0.025775 0.004833 0.005300 0.004979 -0.008220 0Rh 2dz2 0.000733 0.003020 0.002724 -0.000520 0.001971 -0.000736 0Rh 2dxz 0.000640 0.000098 0.001251 0.000338 0.002350 0.000362 0Rh 2dyz 0.003763 0.006163 -0.001015 0.000104 -0.001707 0.001011 0Rh 2dx2y2 0.002943 0.001211 0.002449 0.000205 0.001900 -0.000093 0Rh 2dxy 0.002571 0.000431 0.000121 0.000444 -0.000830 -0.002259 0Rh 3dz2 0.013064 -0.009173 -0.091377 0.009447 -0.081710 0.034961 0Rh 3dxz -0.079483 0.029544 -0.049290 -0.002269 -0.055125 -0.022845 0Rh 3dyz -0.008314 -0.003070 -0.010462 -0.003097 0.032674 -0.021451 0Rh 3dx2y2 -0.029946 -0.047466 -0.061878 -0.004876 -0.073257 0.015545 0Rh 3dxy 0.000629 0.074865 -0.015196 -0.018298 -0.011452 0.035175 0Rh 4dz2 0.008832 0.049822 0.059677 -0.011769 0.047953 -0.019363 0Rh 4dxz 0.026355 -0.006300 0.030560 0.000417 0.046997 0.012565 0Rh 4dyz 0.060670 0.097360 -0.016877 0.000173 -0.034368 0.020034 0Rh 4dx2y2 0.049813 0.027877 0.049576 0.009448 0.044921 -0.005453 0Rh 4dxy 0.037234 -0.008133 0.004531 0.012467 -0.008218 -0.039613 0Rh 5dz2 -0.090482 -0.195636 0.082695 0.026940 0.115888 -0.053287 0Rh 5dxz 0.134638 -0.074305 0.038156 0.025746 0.002309 0.031532 0Rh 5dyz -0.236265 -0.430898 0.184865 0.024541 0.027860 -0.021522 0Rh 5dx2y2 -0.097875 0.040445 0.017153 -0.040719 0.077234 -0.053998 0Rh 5dxy -0.150362 -0.222648 0.058982 0.014958 0.086610 0.054329 0Rh 1f0 -0.033302 -0.059361 0.021507 0.003423 0.022420 0.027443 0Rh 1f+1 0.046494 -0.013913 -0.016367 -0.001854 0.001226 0.014242 0Rh 1f-1 0.050651 -0.132494 0.003959 -0.010511 0.011568 0.053596 0Rh 1f+2 -0.133569 0.025842 0.023468 0.022583 0.024260 -0.016809 0Rh 1f-2 -0.036375 -0.052078 0.006744 -0.002470 0.015109 0.031269 0Rh 1f+3 0.069480 0.030347 -0.000502 -0.001288 -0.015972 -0.005762 0Rh 1f-3 -0.031634 -0.060580 0.017161 -0.003548 0.016550 0.003503 1Rh 1s -0.000682 -0.000290 -0.000328 -0.005347 0.000056 0.000115 1Rh 2s 0.003572 0.002962 0.004106 0.044850 0.000012 -0.000687 1Rh 3s -0.001871 0.000086 0.000550 -0.004427 0.000341 0.000262 1Rh 4s -0.018792 -0.015452 -0.021471 -0.235175 0.000022 0.003656 1Rh 5s 0.031549 0.032440 0.047355 0.468658 0.000833 -0.007066 1Rh 6s -0.006505 -0.026364 -0.049164 -0.308709 -0.002210 0.004774 1Rh 7s 0.112126 -0.050016 0.090835 0.031015 -0.030359 0.036520 1Rh 8s -0.194687 0.063713 0.035045 -0.216660 0.053241 0.013600 1Rh 1pz -0.012403 0.007656 -0.003417 -0.002277 0.000195 -0.002635 1Rh 1px -0.005822 -0.000164 -0.001812 0.003914 0.000847 0.000875 1Rh 1py 0.005111 0.012310 0.001717 -0.000055 -0.001863 -0.002516 1Rh 2pz 0.044554 -0.027833 0.012787 0.008698 -0.000938 0.009418 1Rh 2px 0.020612 0.000734 0.006605 -0.015222 -0.003126 -0.003471 1Rh 2py -0.018506 -0.044087 -0.006439 0.000108 0.006883 0.009755 1Rh 3pz -0.039056 0.031116 -0.021491 -0.018534 0.006091 -0.007089 1Rh 3px -0.011561 -0.003744 -0.007546 0.036617 0.004518 0.009768 1Rh 3py 0.019115 0.035640 0.011447 0.001969 -0.010198 -0.024142 1Rh 4pz -0.162930 0.076111 -0.006565 0.013623 -0.019895 -0.039040 1Rh 4px -0.103778 0.010261 -0.018044 -0.032948 0.003985 -0.013655 1Rh 4py 0.057148 0.174633 -0.001463 -0.009559 -0.006568 0.032673 1Rh 5pz 0.316527 -0.164250 0.021593 -0.020809 0.041417 0.076662 1Rh 5px 0.210882 -0.019085 0.038545 0.015657 -0.009159 0.015081 1Rh 5py -0.121734 -0.344026 0.006288 0.015448 0.011691 -0.068233 1Rh 6pz 0.028526 0.229319 0.281650 -0.196942 -0.089769 -0.210477 1Rh 6px -0.443566 0.085116 0.050469 0.122836 0.036517 0.101714 1Rh 6py 0.206610 0.157904 -0.076221 0.249695 -0.054219 0.148883 1Rh 1dz2 0.004876 0.002126 0.026399 -0.002262 -0.023688 0.010605 1Rh 1dxz -0.026173 0.010165 0.014038 0.001227 -0.014779 -0.006884 1Rh 1dyz 0.003111 0.008789 0.005151 0.000975 0.008455 -0.005048 1Rh 1dx2y2 -0.004575 -0.013988 0.017196 0.001137 -0.021248 0.005040 1Rh 1dxy 0.004232 0.025824 0.004145 0.005512 -0.004717 0.008699 1Rh 2dz2 -0.000699 -0.002994 0.002735 -0.000523 -0.001954 0.000758 1Rh 2dxz -0.000584 -0.000092 0.001234 0.000413 -0.002370 -0.000348 1Rh 2dyz -0.003733 -0.006195 -0.001065 0.000132 0.001740 -0.000997 1Rh 2dx2y2 -0.003029 -0.001204 0.002484 0.000244 -0.001922 0.000083 1Rh 2dxy -0.002612 -0.000448 0.000030 0.000430 0.000823 0.002268 1Rh 3dz2 -0.011257 0.007689 -0.092299 0.009449 0.081058 -0.035782 1Rh 3dxz 0.080670 -0.030072 -0.048160 -0.005205 0.055826 0.022639 1Rh 3dyz 0.008083 0.002574 -0.010437 -0.003393 -0.033856 0.019914 1Rh 3dx2y2 0.027556 0.047203 -0.063450 -0.005105 0.073450 -0.015789 1Rh 3dxy -0.000602 -0.074933 -0.012693 -0.018884 0.010685 -0.036673 1Rh 4dz2 -0.008533 -0.049134 0.060068 -0.011829 -0.047612 0.019818 1Rh 4dxz -0.025580 0.006575 0.030044 0.002296 -0.047447 -0.012286 1Rh 4dyz -0.060102 -0.097836 -0.017601 0.000572 0.034983 -0.019634 1Rh 4dx2y2 -0.050899 -0.027747 0.050463 0.010015 -0.045240 0.005344 1Rh 4dxy -0.037890 0.007891 0.002572 0.012455 0.008334 0.040089 1Rh 5dz2 0.082100 0.197785 0.084100 0.027435 -0.113836 0.055736 1Rh 5dxz -0.143095 0.074809 0.035970 0.028084 -0.002950 -0.031890 1Rh 5dyz 0.233940 0.436065 0.187775 0.024124 -0.023791 0.028630 1Rh 5dx2y2 0.112599 -0.040189 0.019103 -0.042485 -0.076758 0.055457 1Rh 5dxy 0.153239 0.224132 0.058732 0.017928 -0.083713 -0.049588 1Rh 1f0 -0.035228 -0.059835 -0.020766 -0.004900 0.022431 0.027162 1Rh 1f+1 0.047156 -0.013828 0.016574 0.001056 0.001382 0.014782 1Rh 1f-1 0.050530 -0.134025 -0.002479 0.007926 0.011832 0.053699 1Rh 1f+2 -0.132925 0.026139 -0.023683 -0.021786 0.024251 -0.017325 1Rh 1f-2 -0.037006 -0.052432 -0.005511 0.001238 0.016134 0.032337 1Rh 1f+3 0.071993 0.030191 -0.000280 0.001635 -0.016282 -0.005959 1Rh 1f-3 -0.031234 -0.061056 -0.016438 0.003025 0.016475 0.003468 2C 1s 0.005756 -0.002514 0.002320 -0.002258 -0.001365 0.001196 2C 2s 0.022834 -0.016424 0.007560 -0.005227 -0.002330 0.005678 2C 3s -0.765481 1.048745 -0.176511 0.093062 -0.184651 -0.221313 2C 4s 3.541414 -5.271847 0.930031 -0.355699 1.080396 1.225959 2C 5s 0.066429 1.440756 0.472066 -1.281527 -0.148054 -1.050992 2C 1pz -0.255211 0.360397 -0.016498 -0.001787 -0.064435 -0.036067 2C 1px -0.072090 0.046865 0.014249 -0.026049 0.000528 -0.007258 2C 1py -0.181598 0.216610 -0.072369 0.029991 -0.031159 -0.068392 2C 2pz 2.371081 -3.317455 0.404562 -0.235812 0.279263 0.518664 2C 2px 0.643202 -0.521864 -0.017623 0.058902 0.040457 0.016977 2C 2py 1.633454 -1.951470 0.796563 -0.652664 0.768398 0.978732 2C 3pz 0.144209 0.117053 0.176534 -0.290894 0.096338 -0.222372 2C 3px 0.092191 0.063816 0.060153 0.014935 -0.064484 -0.064260 2C 3py 0.016893 0.050313 0.042508 -0.279405 -0.061580 -0.091396 2C 1dz2 -0.021787 0.000702 -0.016446 0.026085 -0.039082 0.040927 2C 1dxz -0.030173 0.062292 -0.044499 0.025008 -0.004656 -0.063282 2C 1dyz -0.057754 0.082294 0.017152 -0.025242 0.022514 -0.044079 2C 1dx2y2 -0.020767 0.029131 0.013112 -0.084863 0.029977 -0.013523 2C 1dxy -0.024027 0.090325 0.093896 -0.131131 0.018487 0.101704 2C 2dz2 0.508129 -0.744932 0.121246 -0.126191 0.139838 0.120263 2C 2dxz 0.305189 -0.234538 0.401338 -0.292284 0.266125 0.435359 2C 2dyz 0.823328 -0.996630 0.213950 -0.218030 0.183688 0.338005 2C 2dx2y2 -0.168734 0.459672 -0.022376 0.054278 0.011364 0.012826 2C 2dxy 0.165500 -0.331853 -0.446054 0.426980 -0.333970 -0.474731 2C 1f0 0.003845 -0.052498 0.073856 -0.079275 0.064879 0.099404 2C 1f+1 -0.036633 0.018848 0.074222 -0.067668 0.099714 0.060231 2C 1f-1 0.049035 -0.044893 0.047650 -0.101631 0.060729 0.035362 2C 1f+2 -0.080067 0.093344 0.079700 -0.103967 0.096695 0.056144 2C 1f-2 -0.008986 -0.006476 0.018687 -0.044682 -0.023767 0.012388 2C 1f+3 -0.037992 0.044383 -0.034738 -0.006563 -0.103527 -0.015140 2C 1f-3 0.004639 -0.038897 -0.005672 0.056329 -0.044280 0.001607 3C 1s 0.003720 0.003724 -0.002957 -0.002185 0.000113 -0.001308 3C 2s 0.019383 0.016113 -0.010555 -0.005181 -0.000330 -0.001588 3C 3s -0.975882 -0.693616 0.333999 0.128711 0.028292 -0.368567 3C 4s 4.810029 3.381750 -1.711517 -0.581131 -0.277443 1.922992 3C 5s -1.336281 0.111824 -0.446719 -1.402302 0.927465 0.692465 3C 1pz -0.183919 -0.143626 0.098796 0.044788 -0.008923 -0.089898 3C 1px -0.091322 -0.074639 0.046548 -0.007436 -0.022557 -0.031214 3C 1py 0.333139 0.243813 -0.052282 -0.000430 -0.012707 0.109598 3C 2pz 1.640345 1.303436 -1.045317 -0.690542 -0.193176 0.943767 3C 2px 0.898268 0.807277 -0.627914 -0.249522 -0.120286 0.556048 3C 2py -3.163678 -2.285897 0.812869 0.351568 0.117500 -0.664375 3C 3pz -0.040295 0.008157 -0.116612 -0.316288 0.128346 0.177747 3C 3px -0.017072 -0.009388 0.005142 -0.132099 0.198315 0.030055 3C 3py 0.120117 -0.157088 0.217319 0.309058 -0.162485 -0.314603 3C 1dz2 0.078271 0.032952 0.075920 0.128147 -0.040999 -0.077429 3C 1dxz -0.022500 -0.010384 -0.025212 0.043117 0.033314 -0.035851 3C 1dyz 0.056155 0.023334 0.043908 0.046988 -0.003888 -0.033566 3C 1dx2y2 -0.032729 0.006487 -0.079693 -0.107612 -0.014348 0.091114 3C 1dxy 0.112076 0.049743 -0.032878 0.027875 0.040680 -0.030330 3C 2dz2 -0.307589 -0.163731 -0.305564 -0.261710 -0.010763 0.234122 3C 2dxz 0.528204 0.285982 0.098655 -0.032398 -0.012908 -0.063940 3C 2dyz -0.932317 -0.631994 0.076634 0.018833 0.027265 -0.095139 3C 2dx2y2 -0.589120 -0.533916 0.582145 0.425143 0.133329 -0.473205 3C 2dxy -0.435477 -0.388999 0.476625 0.254785 0.019173 -0.320409 3C 1f0 0.001894 -0.001177 0.014585 0.084781 -0.037176 0.019441 3C 1f+1 0.058934 0.029452 0.039771 0.079011 0.035598 -0.080885 3C 1f-1 -0.030399 -0.034895 -0.113426 -0.097028 0.007025 0.087176 3C 1f+2 -0.092260 -0.069435 0.034705 0.035586 0.028845 -0.096368 3C 1f-2 -0.037774 -0.054892 -0.041247 -0.023194 -0.053829 0.072134 3C 1f+3 -0.025469 -0.002913 -0.090938 -0.079244 -0.060447 0.056003 3C 1f-3 -0.058697 -0.012791 0.058509 0.027989 0.044824 -0.040888 4C 1s -0.009635 0.014725 0.000658 -0.008176 -0.001518 -0.002270 4C 2s -0.039276 0.058490 0.001398 -0.024390 -0.006717 -0.009513 4C 3s 1.009848 -1.307158 0.036571 -0.209118 0.184893 0.019166 4C 4s -4.150350 5.270359 -0.404074 1.468483 -0.821185 -0.117276 4C 5s -0.272415 -0.267135 -0.132099 1.318927 -0.142289 0.762993 4C 1pz -0.122638 0.241899 -0.074013 0.005935 -0.066845 -0.116623 4C 1px -0.030206 -0.011899 -0.029525 0.024891 0.000412 -0.011239 4C 1py -0.107253 0.140525 -0.027912 0.005919 -0.019114 -0.053512 4C 2pz 2.014575 -3.061910 0.712880 0.001624 0.601914 1.241982 4C 2px 0.536647 -0.633703 0.209397 0.000556 0.112379 0.175826 4C 2py 1.456036 -2.058019 0.410794 0.033670 0.359745 0.744505 4C 3pz -0.223360 0.860815 0.602445 -0.639663 -0.104495 -0.524043 4C 3px -0.082652 -0.187547 -0.011849 -0.097400 0.100630 -0.076692 4C 3py 0.203366 0.505736 0.369859 -0.130620 0.012709 -0.309175 4C 1dz2 0.013593 -0.071788 -0.240339 0.205395 -0.285890 -0.185659 4C 1dxz 0.053488 -0.049205 -0.065402 0.117377 0.118509 -0.014985 4C 1dyz 0.004840 0.054751 0.238481 -0.306158 0.271284 0.125997 4C 1dx2y2 -0.017474 0.053169 -0.111004 -0.006219 0.121053 -0.225479 4C 1dxy 0.028362 -0.029651 -0.097053 0.014036 -0.376157 -0.057270 4C 2dz2 -0.634500 0.745683 0.002772 -0.187173 0.144092 -0.056529 4C 2dxz -0.247160 0.624585 -0.237229 -0.109673 -0.322333 -0.407698 4C 2dyz -0.915793 1.116045 -0.497954 0.562402 -0.535944 -0.416156 4C 2dx2y2 0.198377 -0.503441 0.199826 0.299049 -0.096165 0.368651 4C 2dxy -0.164692 0.555708 0.369079 -0.071468 0.495221 0.304558 4C 1f0 -0.005221 -0.041791 -0.030571 -0.083766 0.109367 -0.022809 4C 1f+1 0.058991 0.008424 -0.035866 -0.142036 -0.070430 -0.041132 4C 1f-1 0.002146 -0.017534 -0.012750 -0.028317 -0.065651 0.004698 4C 1f+2 -0.071628 0.006568 0.013711 0.087806 -0.016914 0.068272 4C 1f-2 -0.084649 0.080052 0.055646 -0.090035 0.079389 -0.003242 4C 1f+3 0.023223 -0.019345 -0.058549 0.012312 0.103911 -0.024599 4C 1f-3 0.017808 -0.066749 0.070510 -0.145233 0.048436 -0.024837 5C 1s -0.014307 -0.007710 0.000464 -0.008788 0.001084 -0.001359 5C 2s -0.056270 -0.032403 0.003477 -0.026252 0.003772 -0.007769 5C 3s 1.270974 0.869878 -0.209425 -0.211919 0.135137 0.625106 5C 4s -5.164232 -3.653389 1.117481 1.550814 -0.593119 -2.796544 5C 5s 0.177033 -0.263761 0.116663 1.376175 -0.839275 -1.250429 5C 1pz -0.129391 -0.115974 0.041888 0.005217 0.028169 -0.015290 5C 1px -0.044237 -0.013005 0.030514 0.028120 0.017553 0.000425 5C 1py 0.207252 0.139274 -0.113547 -0.025317 -0.052184 0.055114 5C 2pz 1.632508 1.251260 -0.641052 -0.038646 -0.323362 0.282335 5C 2px 1.119071 0.791612 -0.362937 -0.083717 -0.204868 0.127596 5C 2py -2.793850 -2.017799 1.212579 0.136710 0.537494 -0.545910 5C 3pz -0.593345 0.139696 -0.303876 -0.234671 0.271632 0.170488 5C 3px 0.033926 0.158537 -0.292384 -0.023426 0.015321 0.195302 5C 3py 0.801183 0.273394 0.626177 0.829032 -0.467053 -0.338752 5C 1dz2 -0.070766 -0.011702 -0.292106 -0.102701 -0.231152 0.230128 5C 1dxz 0.083316 0.002502 -0.033668 0.041053 0.202768 -0.250073 5C 1dyz 0.064286 -0.016036 0.228089 0.288198 -0.037729 -0.180644 5C 1dx2y2 -0.073987 -0.045139 -0.166495 -0.160217 0.061662 0.204221 5C 1dxy 0.005995 -0.019057 0.095122 0.050310 0.225138 -0.213346 5C 2dz2 0.448532 0.250018 0.380458 -0.005011 0.314721 -0.086441 5C 2dxz -0.712081 -0.365923 0.054344 -0.223352 -0.051204 0.367671 5C 2dyz 0.858268 0.705297 -0.460061 -0.536237 0.079377 0.564480 5C 2dx2y2 0.621921 0.553587 -0.381411 0.109969 -0.226855 -0.030171 5C 2dxy 0.770354 0.580195 -0.525457 -0.156248 -0.351325 0.544740 5C 1f0 -0.023105 -0.002929 -0.044806 -0.045705 0.108060 -0.015709 5C 1f+1 0.053692 0.016157 -0.090105 -0.110185 -0.037336 0.151753 5C 1f-1 -0.041521 -0.077669 -0.029724 -0.065705 -0.053439 0.071671 5C 1f+2 -0.015690 0.046538 0.044086 0.033504 -0.037414 0.056564 5C 1f-2 0.032328 -0.020179 0.013463 0.129448 0.000286 -0.092986 5C 1f+3 -0.016790 0.009080 -0.018895 -0.136785 0.111259 0.018973 5C 1f-3 -0.081527 -0.080843 -0.050801 0.119674 -0.026148 -0.114649 6C 1s 0.014094 0.007787 0.000312 -0.008813 -0.001209 0.001301 6C 2s 0.055130 0.032661 0.002804 -0.026404 -0.004154 0.007590 6C 3s -1.229587 -0.872220 -0.189805 -0.192892 -0.135759 -0.623993 6C 4s 4.985318 3.661398 1.033565 1.468679 0.610673 2.803697 6C 5s -0.227033 0.244683 0.104466 1.336834 0.854373 1.249701 6C 1pz -0.124979 -0.116740 -0.039301 -0.005258 0.027286 -0.016548 6C 1px -0.041990 -0.012644 -0.028978 -0.028769 0.016642 -0.000717 6C 1py 0.201033 0.140898 0.109587 0.024507 -0.050185 0.057886 6C 2pz 1.565947 1.261087 0.611041 0.035400 -0.313563 0.297690 6C 2px 1.074706 0.790751 0.342687 0.089859 -0.199393 0.137793 6C 2py -2.685659 -2.034043 -1.162335 -0.130073 0.519060 -0.573350 6C 3pz -0.647364 0.144487 0.304602 0.223621 0.275709 0.176722 6C 3px 0.019623 0.162586 0.294346 0.016735 0.015842 0.191050 6C 3py 0.788178 0.270246 -0.629345 -0.802300 -0.486638 -0.364500 6C 1dz2 0.067200 0.009832 -0.290771 -0.104445 0.227214 -0.244123 6C 1dxz -0.083844 -0.002144 -0.032790 0.040089 -0.205079 0.249590 6C 1dyz -0.063704 0.016246 0.225332 0.284218 0.044084 0.189282 6C 1dx2y2 0.068865 0.044513 -0.165299 -0.153603 -0.065643 -0.210938 6C 1dxy -0.008975 0.021307 0.094349 0.049776 -0.224049 0.217939 6C 2dz2 -0.431257 -0.246123 0.383046 0.005451 -0.309686 0.108563 6C 2dxz 0.700996 0.366132 0.045270 -0.222694 0.054069 -0.371046 6C 2dyz -0.820450 -0.706802 -0.439918 -0.523143 -0.089201 -0.575767 6C 2dx2y2 -0.583793 -0.560131 -0.365230 0.103155 0.222424 0.022798 6C 2dxy -0.740307 -0.590085 -0.516184 -0.148847 0.343396 -0.563395 6C 1f0 -0.021114 -0.002868 0.043552 0.044200 0.108968 -0.015799 6C 1f+1 0.057732 0.016338 0.088657 0.107374 -0.035974 0.153677 6C 1f-1 -0.031366 -0.077714 0.029485 0.065006 -0.052117 0.074822 6C 1f+2 -0.022552 0.046457 -0.045156 -0.033772 -0.038275 0.055368 6C 1f-2 0.037561 -0.019460 -0.012596 -0.127669 -0.000390 -0.092889 6C 1f+3 -0.018746 0.008736 0.018812 0.133393 0.112917 0.018373 6C 1f-3 -0.073245 -0.080014 0.052078 -0.115214 -0.026487 -0.113608 7C 1s 0.009397 -0.014711 0.000899 -0.008426 0.001530 0.002410 7C 2s 0.038051 -0.058501 0.002424 -0.025474 0.006739 0.009935 7C 3s -0.965915 1.309610 0.009159 -0.184895 -0.184503 -0.018109 7C 4s 3.959014 -5.283583 -0.286456 1.365272 0.811966 0.096261 7C 5s 0.217311 0.262265 -0.139043 1.327226 0.133218 -0.791233 7C 1pz -0.116343 0.244120 0.067333 0.003208 -0.065082 -0.114859 7C 1px -0.029514 -0.011584 0.028835 -0.024338 0.001382 -0.010179 7C 1py -0.102676 0.142536 0.023908 -0.001163 -0.017788 -0.052263 7C 2pz 1.902576 -3.086037 -0.636031 -0.098952 0.578806 1.211916 7C 2px 0.519070 -0.636593 -0.196055 -0.015815 0.101624 0.168797 7C 2py 1.387450 -2.086143 -0.362764 -0.094519 0.344311 0.728031 7C 3pz -0.207344 0.834055 -0.614504 0.658161 -0.114315 -0.553448 7C 3px -0.058739 -0.188869 0.011327 0.096450 0.093714 -0.071366 7C 3py 0.153016 0.499504 -0.383382 0.146749 -0.002517 -0.338303 7C 1dz2 -0.007797 0.067809 -0.243622 0.196760 0.294501 0.200519 7C 1dxz -0.046919 0.049420 -0.065419 0.116683 -0.118855 0.015559 7C 1dyz -0.004415 -0.049536 0.236546 -0.297944 -0.273028 -0.128147 7C 1dx2y2 0.020979 -0.053515 -0.111201 -0.011625 -0.119653 0.228684 7C 1dxy -0.028909 0.026613 -0.100658 0.012098 0.380356 0.066565 7C 2dz2 0.591208 -0.747224 0.029459 -0.204908 -0.165051 0.028705 7C 2dxz 0.223250 -0.628881 -0.227827 -0.132440 0.322680 0.407250 7C 2dyz 0.871103 -1.136926 -0.471206 0.524155 0.536084 0.415588 7C 2dx2y2 -0.196893 0.513854 0.183759 0.318110 0.107150 -0.355523 7C 2dxy 0.157879 -0.540807 0.381674 -0.067921 -0.503523 -0.325695 7C 1f0 -0.001929 -0.042205 0.031404 0.082513 0.111478 -0.021399 7C 1f+1 0.051875 0.007786 0.037312 0.141305 -0.072014 -0.044012 7C 1f-1 0.001818 -0.017357 0.011027 0.029480 -0.064724 0.004453 7C 1f+2 -0.061706 0.005209 -0.014243 -0.089711 -0.016185 0.070698 7C 1f-2 -0.076035 0.077934 -0.056328 0.091419 0.079569 -0.001375 7C 1f+3 0.014767 -0.017201 0.059126 -0.012435 0.102856 -0.025133 7C 1f-3 0.022126 -0.068418 -0.068409 0.143661 0.049967 -0.024595 8C 1s -0.003322 -0.003740 -0.002909 -0.002279 -0.000207 0.001211 8C 2s -0.018032 -0.016192 -0.010274 -0.005404 0.000053 0.001278 8C 3s 0.942086 0.697656 0.315839 0.119238 -0.023936 0.374229 8C 4s -4.659093 -3.404638 -1.619531 -0.530010 0.255819 -1.952850 8C 5s 1.426645 -0.098675 -0.454932 -1.368999 -0.946231 -0.704301 8C 1pz -0.175829 -0.144358 -0.095514 -0.042098 -0.010641 -0.091300 8C 1px -0.086840 -0.075287 -0.043986 0.008815 -0.022337 -0.031494 8C 1py 0.320284 0.244368 0.046988 -0.001975 -0.012701 0.110196 8C 2pz 1.556184 1.311757 1.011836 0.670952 -0.173542 0.976208 8C 2px 0.846180 0.818703 0.603349 0.237925 -0.110515 0.567354 8C 2py -3.040874 -2.293131 -0.764017 -0.336125 0.104907 -0.674600 8C 3pz -0.037853 0.006635 0.114581 0.307333 0.135835 0.182090 8C 3px -0.021390 -0.011306 -0.005872 0.126327 0.200967 0.034810 8C 3py 0.146453 -0.157373 -0.215242 -0.297957 -0.165628 -0.317125 8C 1dz2 -0.077796 -0.032953 0.074513 0.125484 0.044489 0.079963 8C 1dxz 0.022877 0.009703 -0.027186 0.040857 -0.033025 0.033709 8C 1dyz -0.055044 -0.023427 0.042874 0.046369 0.004869 0.035116 8C 1dx2y2 0.035896 -0.006377 -0.077850 -0.106226 0.012161 -0.093835 8C 1dxy -0.109094 -0.050127 -0.033607 0.027934 -0.040354 0.028910 8C 2dz2 0.298679 0.160796 -0.304433 -0.257155 0.002447 -0.246734 8C 2dxz -0.519570 -0.281838 0.112519 -0.026040 0.012264 0.076541 8C 2dyz 0.897028 0.634170 0.069074 0.016510 -0.027267 0.093338 8C 2dx2y2 0.556032 0.538319 0.564011 0.415641 -0.120316 0.489929 8C 2dxy 0.406571 0.394489 0.468470 0.251858 -0.011415 0.339123 8C 1f0 0.003756 -0.000508 -0.014054 -0.084176 -0.038702 0.019492 8C 1f+1 0.056943 0.028558 -0.039141 -0.077365 0.034511 -0.084271 8C 1f-1 -0.024337 -0.035282 0.112402 0.095330 0.009111 0.093332 8C 1f+2 -0.088000 -0.069787 -0.033256 -0.033613 0.027995 -0.097053 8C 1f-2 -0.033726 -0.055025 0.042282 0.022948 -0.053028 0.074755 8C 1f+3 -0.024028 -0.002821 0.090507 0.080422 -0.059214 0.060007 8C 1f-3 -0.060407 -0.014129 -0.057510 -0.027161 0.042597 -0.044928 9C 1s -0.005373 0.002538 0.002285 -0.002355 0.001458 -0.000924 9C 2s -0.021522 0.016519 0.007235 -0.005255 0.002626 -0.004900 9C 3s 0.732028 -1.055594 -0.149998 0.064924 0.179559 0.214606 9C 4s -3.391443 5.311356 0.792920 -0.199000 -1.055114 -1.201463 9C 5s 0.021010 -1.416344 0.515376 -1.330565 0.165284 1.104892 9C 1pz -0.242030 0.361283 0.008539 0.009233 -0.062911 -0.033825 9C 1px -0.068786 0.047113 -0.016179 0.027607 -0.000199 -0.007093 9C 1py -0.173741 0.220161 0.067215 -0.022492 -0.030611 -0.068623 9C 2pz 2.242286 -3.329785 -0.328475 0.166427 0.252053 0.473253 9C 2px 0.608237 -0.530367 0.039137 -0.073917 0.028593 0.007507 9C 2py 1.548877 -1.990158 -0.749475 0.575589 0.763310 0.974592 9C 3pz 0.118334 0.109843 -0.179156 0.293518 0.089891 -0.234469 9C 3px 0.084584 0.064897 -0.062848 -0.012401 -0.060100 -0.069682 9C 3py 0.020812 0.046413 -0.043765 0.279684 -0.063756 -0.098204 9C 1dz2 0.017891 -0.001370 -0.014987 0.027089 0.037658 -0.042936 9C 1dxz 0.028782 -0.061039 -0.044899 0.022474 0.006422 0.064099 9C 1dyz 0.056093 -0.082287 0.015770 -0.026621 -0.020593 0.047594 9C 1dx2y2 0.020425 -0.027118 0.009220 -0.081263 -0.025114 0.019439 9C 1dxy 0.024749 -0.089553 0.094343 -0.128149 -0.017948 -0.102486 9C 2dz2 -0.472016 0.744834 0.099978 -0.107026 -0.129215 -0.103442 9C 2dxz -0.285628 0.241221 0.395125 -0.268392 -0.268522 -0.438876 9C 2dyz -0.781095 1.009807 0.200243 -0.195780 -0.186731 -0.341960 9C 2dx2y2 0.164802 -0.465757 0.002579 0.035690 -0.032825 -0.043542 9C 2dxy -0.162645 0.318618 -0.452079 0.409222 0.341721 0.491415 9C 1f0 0.008543 -0.053577 -0.072501 0.072727 0.066510 0.103099 9C 1f+1 -0.033541 0.016223 -0.073792 0.064754 0.102466 0.062128 9C 1f-1 0.045240 -0.045897 -0.047426 0.100547 0.061099 0.035378 9C 1f+2 -0.072682 0.093324 -0.081750 0.102104 0.099837 0.061195 9C 1f-2 -0.009696 -0.005664 -0.019034 0.044832 -0.021628 0.012808 9C 1f+3 -0.037597 0.045577 0.035076 0.008837 -0.105014 -0.019722 9C 1f-3 0.003413 -0.036274 0.006147 -0.054984 -0.047139 -0.000264 10H 1s 0.050348 -0.131092 0.042059 -0.024440 0.053147 0.017348 10H 2s -0.106362 0.133715 0.116623 -0.175983 -0.105185 0.098405 10H 3s -0.006570 -0.186224 -0.005750 0.071152 0.106434 0.076173 10H 1pz -0.177881 0.152222 -0.050390 -0.027113 -0.062849 -0.077374 10H 1px -0.078991 0.007617 -0.048918 0.024212 0.040074 -0.059629 10H 1py -0.100112 0.142471 0.144719 -0.142691 0.022587 0.113699 11H 1s 0.062416 -0.097692 -0.138638 0.109369 -0.022138 -0.101324 11H 2s -0.018496 0.012631 -0.387232 0.362550 -0.558431 -0.518912 11H 3s 0.035363 -0.126620 0.090071 0.045313 0.170076 0.114589 11H 1pz -0.081823 0.114494 -0.189216 0.148655 -0.223058 -0.239325 11H 1px 0.002814 0.087520 -0.047466 0.036396 -0.149044 -0.066262 11H 1py -0.107516 0.148379 -0.062981 0.063298 -0.022051 -0.045701 12H 1s 0.095968 -0.028454 0.104533 -0.063184 0.017503 0.120080 12H 2s 0.010639 0.311650 0.387430 -0.453753 0.408253 0.494827 12H 3s 0.025130 -0.221842 -0.086687 0.148100 -0.134431 0.024526 12H 1pz -0.146330 0.196331 0.053401 -0.068091 0.042245 0.046545 12H 1px -0.026399 0.103983 -0.013843 -0.016409 0.028080 0.013175 12H 1py -0.021219 0.173200 0.165595 -0.208130 0.162801 0.169905 13H 1s 0.115997 0.101258 -0.049376 -0.039701 -0.030488 0.078674 13H 2s -0.060432 -0.090554 -0.069036 -0.248406 -0.005105 -0.175007 13H 3s 0.128226 0.029999 -0.063107 0.076191 -0.121627 0.084995 13H 1pz -0.123918 -0.057211 -0.131401 -0.133060 0.026048 -0.018935 13H 1px -0.094904 -0.056546 -0.061674 -0.038794 -0.000532 0.088784 13H 1py 0.138122 0.117047 -0.079155 0.052863 0.001260 0.084750 14H 1s 0.013757 0.047112 -0.122255 -0.038747 0.045392 0.058847 14H 2s -0.308555 -0.074805 -0.477208 -0.376343 -0.196995 0.310329 14H 3s 0.240478 -0.017569 0.082031 0.130162 0.064874 -0.098784 14H 1pz -0.108552 -0.032451 -0.171202 -0.157267 -0.058060 0.119608 14H 1px -0.130368 -0.045106 -0.084335 -0.082314 -0.068800 0.049789 14H 1py 0.199224 0.167449 0.030852 0.039323 -0.002627 -0.035426 15H 1s 0.101891 0.056729 0.144163 0.100556 -0.012531 -0.042576 15H 2s 0.108075 -0.053221 0.441052 0.354897 0.090749 -0.667231 15H 3s 0.108280 0.002394 -0.088990 0.039347 -0.088066 0.147339 15H 1pz -0.109921 -0.084830 0.077591 0.047504 -0.008771 0.022665 15H 1px -0.132822 -0.080065 0.057258 0.049760 0.055768 -0.108836 15H 1py 0.070851 0.077702 -0.240110 -0.136241 -0.046343 0.281005 16H 1s 0.011384 -0.021356 0.007315 0.011511 -0.006397 0.012118 16H 2s -0.163502 0.176241 -0.054118 -0.303135 0.068724 -0.005010 16H 3s -0.024270 -0.037325 -0.015409 0.057172 0.006812 -0.007271 16H 1pz -0.079171 0.077719 -0.028796 -0.134263 0.025819 0.002847 16H 1px 0.026773 -0.043485 0.000914 -0.020143 -0.003833 0.015194 16H 1py -0.003446 0.019266 0.002867 -0.016285 0.011723 0.007691 17H 1s -0.022161 -0.006427 0.004775 0.009282 0.007118 0.003028 17H 2s -0.063048 0.081403 -0.121563 -0.285294 0.064633 -0.016816 17H 3s -0.018477 0.047484 -0.019968 0.032621 0.024269 -0.008275 17H 1pz 0.032425 -0.012010 0.040992 0.099975 -0.024200 -0.003101 17H 1px 0.029043 -0.045794 0.034071 0.066589 -0.022387 0.007707 17H 1py -0.013883 0.000764 -0.019083 -0.036648 0.024566 0.001620 18H 1s 0.020700 0.006384 0.004508 0.009543 -0.007193 -0.003164 18H 2s 0.086269 -0.081829 -0.122155 -0.286926 -0.066152 0.021328 18H 3s 0.018306 -0.048422 -0.021216 0.032895 -0.026917 0.008430 18H 1pz 0.040618 -0.013464 -0.042611 -0.100852 -0.025397 -0.001143 18H 1px 0.036813 -0.045789 -0.033852 -0.067222 -0.023575 0.008488 18H 1py -0.017399 -0.001111 0.018123 0.033722 0.024377 0.001018 19H 1s -0.012369 0.022292 0.007048 0.012157 0.006193 -0.012878 19H 2s 0.189279 -0.179219 -0.050045 -0.303903 -0.068291 0.007969 19H 3s 0.025405 0.035757 -0.012606 0.055659 -0.004085 0.005316 19H 1pz -0.090452 0.078689 0.026635 0.134334 0.024993 0.002335 19H 1px 0.028538 -0.044473 0.000760 0.017921 -0.003575 0.014489 19H 1py -0.009383 0.019661 -0.003485 0.018846 0.012280 0.008163 20H 1s -0.097343 -0.055581 0.144340 0.099823 0.016494 0.047805 20H 2s -0.118430 0.055777 0.430257 0.340272 -0.082516 0.687467 20H 3s -0.113415 -0.005551 -0.085481 0.042312 0.089021 -0.150455 20H 1pz -0.104774 -0.085338 -0.076518 -0.048584 -0.010557 0.020940 20H 1px -0.129696 -0.079758 -0.055239 -0.048452 0.054453 -0.112238 20H 1py 0.067342 0.079391 0.234372 0.130287 -0.042621 0.290721 21H 1s -0.009096 -0.048409 -0.120895 -0.037185 -0.047057 -0.062708 21H 2s 0.321390 0.067789 -0.477476 -0.376233 0.184574 -0.333403 21H 3s -0.256702 0.017482 0.084201 0.130569 -0.063890 0.100362 21H 1pz -0.110904 -0.030709 0.171403 0.157189 -0.053321 0.127838 21H 1px -0.134926 -0.044090 0.085015 0.083520 -0.066119 0.054729 21H 1py 0.188065 0.167047 -0.033448 -0.038367 -0.003595 -0.038635 22H 1s -0.111438 -0.101183 -0.047338 -0.038264 0.028700 -0.079759 22H 2s 0.063089 0.095433 -0.069924 -0.253097 -0.000299 0.168617 22H 3s -0.140502 -0.034122 -0.060296 0.077569 0.121328 -0.084750 22H 1pz -0.124241 -0.057883 0.132739 0.134165 0.029848 -0.012166 22H 1px -0.087492 -0.055300 0.060711 0.035526 0.000223 0.089956 22H 1py 0.130383 0.119134 0.077175 -0.054371 0.001404 0.086463 23H 1s -0.090553 0.031465 0.104552 -0.057857 -0.020442 -0.125078 23H 2s 0.001210 -0.299994 0.396571 -0.440620 -0.416837 -0.509962 23H 3s -0.043655 0.216423 -0.093977 0.151596 0.134002 -0.025423 23H 1pz -0.134294 0.195338 -0.057697 0.067265 0.045625 0.052745 23H 1px -0.028610 0.103458 0.012231 0.017150 0.028816 0.012644 23H 1py -0.024932 0.170443 -0.170402 0.205750 0.165652 0.174884 24H 1s -0.057347 0.095580 -0.140231 0.106536 0.022788 0.104839 24H 2s 0.013249 -0.020271 -0.383978 0.327741 0.570230 0.540590 24H 3s -0.041401 0.126770 0.084822 0.056159 -0.173793 -0.120556 24H 1pz -0.078836 0.118284 0.185050 -0.132759 -0.228031 -0.248235 24H 1px 0.000637 0.086685 0.045552 -0.029218 -0.151283 -0.071199 24H 1py -0.102449 0.150763 0.061236 -0.061525 -0.022308 -0.044558 25H 1s -0.047163 0.131701 0.039080 -0.020678 -0.050420 -0.015999 25H 2s 0.104766 -0.138584 0.121525 -0.180849 0.109313 -0.082666 25H 3s -0.003598 0.188324 -0.014028 0.080577 -0.104408 -0.082912 25H 1pz -0.170262 0.154883 0.047715 0.033550 -0.065285 -0.084755 25H 1px -0.072062 0.006084 0.052761 -0.026998 0.039436 -0.057697 25H 1py -0.096932 0.141219 -0.147304 0.139987 0.025039 0.115439 26O 1s 0.000227 -0.007208 0.001408 -0.005050 0.001926 0.006994 26O 2s -0.000647 -0.024556 0.004023 -0.016650 0.005881 0.022971 26O 3s 0.013274 0.180626 -0.009214 0.160636 -0.032260 -0.117229 26O 4s -0.167668 -0.326858 -0.093575 -0.444437 0.001731 -0.076867 26O 5s 0.449412 0.293180 -0.505866 -0.466564 -0.086230 -0.422291 26O 1pz 0.036917 -0.085208 -0.102504 0.107364 -0.018297 -0.060390 26O 1px 0.031545 0.104455 -0.086297 -0.057829 -0.039996 -0.113478 26O 1py -0.131608 0.078683 0.207527 -0.109108 0.064451 0.047129 26O 2pz -0.072107 0.143548 0.216824 -0.170678 0.092566 0.133044 26O 2px -0.082909 -0.056256 0.246353 0.304743 0.119162 0.336156 26O 2py 0.175044 -0.089888 -0.250010 0.291589 -0.173911 0.002245 26O 3pz 0.378561 -0.218941 -0.259121 0.203924 0.064549 0.112491 26O 3px 0.154373 0.089517 -0.020630 0.147858 -0.008748 0.094243 26O 3py -0.086584 -0.116624 -0.072190 0.074125 -0.147071 0.020513 26O 1dz2 0.006041 -0.007696 -0.002717 0.006005 0.001180 0.003023 26O 1dxz 0.003336 -0.003518 -0.002449 0.001865 0.000067 -0.001556 26O 1dyz 0.005683 -0.004571 -0.001566 -0.006374 0.000259 0.001591 26O 1dx2y2 0.002611 0.006345 -0.000263 -0.002631 0.000249 -0.006461 26O 1dxy 0.004812 0.006163 0.004091 -0.005955 0.002101 -0.000893 26O 2dz2 0.093092 -0.085778 -0.021778 0.070741 0.001164 0.008389 26O 2dxz -0.048078 0.085082 -0.052417 0.039002 -0.057883 -0.037573 26O 2dyz 0.116609 -0.001507 -0.020419 -0.061255 0.000441 0.037662 26O 2dx2y2 -0.035856 -0.025715 -0.026709 -0.002521 -0.062666 -0.121757 26O 2dxy 0.054329 0.104644 0.024653 -0.091016 0.054196 0.028333 26O 1f0 -0.004712 0.003029 0.003517 -0.010100 -0.010437 0.000376 26O 1f+1 0.009176 -0.014961 0.005772 -0.007582 0.009311 -0.000242 26O 1f-1 -0.010439 0.006422 0.000263 -0.000817 0.013797 -0.007695 26O 1f+2 -0.004510 0.001991 -0.003293 0.001633 0.017449 -0.000039 26O 1f-2 0.004690 -0.006124 0.001838 0.006965 0.008795 0.009287 26O 1f+3 -0.002160 -0.003451 0.009645 -0.008721 -0.037142 0.019341 26O 1f-3 0.009202 -0.004111 -0.011998 -0.006687 0.010171 -0.013713 27O 1s 0.005317 0.000824 -0.005209 -0.006902 -0.003506 -0.000067 27O 2s 0.018018 0.002736 -0.015749 -0.023085 -0.011882 -0.001622 27O 3s -0.133864 -0.031702 0.080043 0.202599 0.057942 -0.020622 27O 4s 0.237261 0.077046 0.049974 -0.487017 0.036864 0.217873 27O 5s -0.053579 -0.095359 0.350076 -0.258629 0.563616 0.595115 27O 1pz -0.040232 -0.124432 -0.177655 -0.042431 -0.033365 0.052177 27O 1px -0.123589 -0.077708 -0.049408 -0.087772 0.070311 0.102261 27O 1py -0.101255 -0.122595 -0.160341 -0.077806 0.001580 -0.005165 27O 2pz 0.081224 0.187588 0.264023 0.054712 0.114472 -0.131402 27O 2px 0.073461 0.044461 -0.014485 0.337044 -0.228022 -0.371395 27O 2py 0.189290 0.192252 0.300971 0.114629 0.071559 -0.005927 27O 3pz 0.209772 -0.185361 0.001782 0.058750 0.046965 -0.116270 27O 3px -0.043962 -0.053466 -0.103985 0.204375 -0.120128 -0.299337 27O 3py -0.303984 -0.227999 -0.160715 -0.346431 0.140644 0.033196 27O 1dz2 0.001696 0.001101 0.001134 0.002232 -0.000894 -0.007010 27O 1dxz -0.000234 0.000689 -0.003401 0.000180 0.000877 0.000469 27O 1dyz -0.004099 -0.000934 0.002713 0.004427 -0.001141 -0.004402 27O 1dx2y2 -0.009421 -0.007067 -0.003181 -0.007892 0.005884 0.009424 27O 1dxy -0.003511 -0.001400 -0.000152 0.003856 -0.002412 -0.004825 27O 2dz2 -0.007264 0.006496 -0.008170 0.023563 -0.005242 -0.032527 27O 2dxz -0.104435 -0.005536 -0.045729 -0.007994 -0.033596 0.048170 27O 2dyz -0.048658 -0.035666 0.043103 0.049404 -0.013123 -0.080929 27O 2dx2y2 -0.078814 -0.028341 -0.010811 -0.096257 0.043110 0.074656 27O 2dxy 0.074085 0.088725 -0.031398 0.015487 -0.018620 0.061185 27O 1f0 0.005447 0.007613 0.008279 0.004542 -0.017456 0.018640 27O 1f+1 0.001919 0.004190 0.011041 -0.005671 0.004762 0.008492 27O 1f-1 0.003795 0.001318 -0.003399 0.001412 -0.007347 0.004676 27O 1f+2 0.012668 0.002081 -0.011172 -0.003923 0.020482 -0.017858 27O 1f-2 -0.005824 -0.004106 0.007095 -0.000422 -0.011984 0.006324 27O 1f+3 0.010280 0.009794 -0.001999 -0.003628 -0.018875 0.021231 27O 1f-3 -0.000144 0.002632 0.005416 0.014878 -0.025766 -0.005798 28O 1s -0.004999 0.005136 0.002392 -0.008593 -0.000920 0.003094 28O 2s -0.017240 0.021343 0.007178 -0.029936 -0.004098 0.009428 28O 3s 0.109446 -0.220688 -0.033497 0.269462 0.044623 -0.013076 28O 4s -0.257164 1.004566 -0.018227 -0.738984 -0.185797 -0.325673 28O 5s 0.627715 -1.434636 -0.476015 -0.080060 0.207599 -0.348736 28O 1pz 0.012596 0.190582 0.054141 -0.086932 0.051950 0.005932 28O 1px 0.027352 0.132261 0.019338 0.022546 0.006807 0.099397 28O 1py -0.222635 0.011711 -0.062096 0.048483 -0.086872 -0.126412 28O 2pz -0.088837 -0.359212 -0.062861 0.329110 -0.124243 0.103799 28O 2px 0.013828 -0.057554 -0.108228 -0.236532 -0.086722 -0.346575 28O 2py 0.297257 0.038780 0.221783 -0.139198 0.282500 0.290813 28O 3pz -0.000754 0.098212 -0.047495 0.099007 -0.052275 0.133791 28O 3px 0.277846 -0.244543 -0.121082 0.015052 -0.006848 -0.077801 28O 3py -0.257608 -0.118665 0.008522 -0.116591 0.078992 -0.035280 28O 1dz2 0.002973 -0.002587 0.002962 -0.001790 0.001161 0.005041 28O 1dxz 0.004967 0.000532 -0.001538 0.007026 -0.003898 0.005198 28O 1dyz 0.001497 -0.011072 -0.002792 -0.001124 0.001832 -0.001556 28O 1dx2y2 -0.002381 0.000413 0.001509 0.000060 -0.001568 -0.004181 28O 1dxy 0.003065 -0.001758 0.002469 -0.002332 0.002475 0.004340 28O 2dz2 -0.004645 -0.128893 0.050261 -0.010143 0.037854 0.097255 28O 2dxz 0.015466 0.008452 0.014449 0.049128 -0.031812 0.031457 28O 2dyz 0.079218 -0.271209 -0.092836 0.055186 -0.016107 -0.015602 28O 2dx2y2 0.034301 0.039713 0.025053 -0.032687 -0.025405 -0.042294 28O 2dxy 0.001715 -0.010078 0.088849 -0.109120 0.092412 0.049604 28O 1f0 0.006399 -0.002652 0.002131 0.002447 -0.027538 0.001242 28O 1f+1 -0.000345 0.005462 0.014199 -0.024718 0.037391 -0.002943 28O 1f-1 -0.007224 0.009053 0.005774 0.001896 0.009464 0.003946 28O 1f+2 -0.002470 -0.007056 -0.003784 0.013973 -0.003606 0.002022 28O 1f-2 -0.001328 0.008675 -0.025945 0.013691 -0.047618 -0.020605 28O 1f+3 -0.001736 0.003141 0.013294 -0.000404 0.001316 0.009844 28O 1f-3 0.010010 -0.015883 -0.023638 0.017898 -0.033086 -0.014164 29O 1s -0.001981 0.000890 -0.000749 -0.021056 0.000368 0.002363 29O 2s -0.006031 0.002200 -0.001799 -0.070459 0.000619 0.008130 29O 3s 0.021214 0.008922 -0.006551 0.429018 0.010313 -0.056591 29O 4s -0.042312 -0.050045 0.050272 -0.553257 -0.033973 0.097329 29O 5s 0.385710 -0.188301 0.082102 0.767748 -0.120213 -0.094577 29O 1pz -0.041525 -0.002163 0.007495 0.056206 0.003868 -0.006163 29O 1px 0.070950 -0.080581 0.017742 -0.127915 -0.019414 0.026752 29O 1py 0.042130 -0.025310 -0.008390 0.064899 0.015296 0.000933 29O 2pz 0.027161 0.056967 -0.008013 -0.140861 -0.003950 0.014770 29O 2px -0.077283 0.102477 0.000266 0.293437 0.008136 -0.045382 29O 2py -0.111831 0.085214 -0.020297 -0.210409 0.004602 0.001542 29O 3pz -0.037945 -0.036333 0.039256 0.058813 0.011436 0.001515 29O 3px -0.038491 -0.036551 0.068096 -0.172116 -0.018745 0.060616 29O 3py -0.060277 0.037458 -0.066215 -0.058623 0.050561 -0.020388 29O 1dz2 -0.002339 0.002099 -0.000960 -0.002358 0.000458 -0.000111 29O 1dxz -0.000034 0.000532 -0.001921 -0.003343 0.000009 0.000552 29O 1dyz 0.001544 0.003655 -0.000582 -0.000494 -0.000825 -0.000784 29O 1dx2y2 0.002517 -0.001193 -0.001100 0.003490 -0.000828 -0.000562 29O 1dxy 0.001456 -0.001190 0.000805 0.000325 -0.000018 0.002019 29O 2dz2 0.002499 -0.021436 -0.002189 0.019502 -0.009017 -0.004123 29O 2dxz 0.017480 -0.011369 0.007125 0.004116 -0.016914 0.010529 29O 2dyz 0.025595 0.004426 -0.011835 0.025796 0.000058 -0.010453 29O 2dx2y2 0.012236 0.010958 -0.012549 -0.002731 -0.007660 -0.007800 29O 2dxy -0.007732 -0.002843 -0.022317 -0.072656 0.016409 0.014620 29O 1f0 -0.003971 0.004331 -0.002302 -0.006821 0.001836 -0.001397 29O 1f+1 0.000349 -0.001792 0.001018 0.002731 -0.000370 0.000210 29O 1f-1 -0.004763 0.004093 -0.002278 -0.007531 0.002161 -0.000728 29O 1f+2 0.001165 -0.002950 -0.000297 0.000854 -0.000403 0.000505 29O 1f-2 0.003167 0.003193 -0.002828 -0.005793 0.000122 -0.000443 29O 1f+3 -0.002594 0.000375 0.000497 -0.001927 0.000779 -0.000144 29O 1f-3 -0.000754 -0.000409 0.000502 0.001543 -0.000689 -0.001855 30O 1s -0.005966 -0.003135 -0.004146 -0.009040 -0.003019 -0.003928 30O 2s -0.023313 -0.012716 -0.013542 -0.030873 -0.009642 -0.014601 30O 3s 0.216472 0.116671 0.081857 0.274895 0.023292 0.078389 30O 4s -0.897547 -0.505321 -0.050960 -0.757003 0.245243 -0.031817 30O 5s 1.398167 0.842529 0.636907 -0.031961 0.188930 0.767525 30O 1pz 0.080989 -0.152386 0.037492 -0.022294 0.059730 -0.012015 30O 1px -0.095968 -0.112244 -0.027539 0.070819 -0.019531 -0.098803 30O 1py 0.257375 0.005341 0.059092 0.069361 -0.050350 -0.085427 30O 2pz -0.128894 0.236395 -0.230992 0.122381 -0.253889 0.049408 30O 2px 0.013121 0.126024 0.053884 -0.346710 0.142376 0.302344 30O 2py -0.418802 -0.019734 -0.054399 -0.260445 0.129717 0.283873 30O 3pz -0.087077 -0.223101 -0.054327 -0.149456 -0.116522 -0.048962 30O 3px 0.290323 0.087775 0.126732 0.010656 0.048320 0.149525 30O 3py 0.219106 -0.239736 -0.121543 -0.034999 0.036593 0.174444 30O 1dz2 0.001039 -0.005454 0.003929 0.001478 -0.002991 -0.004260 30O 1dxz 0.001153 -0.003328 0.000630 0.001093 -0.005322 -0.002871 30O 1dyz -0.006959 -0.006942 -0.001624 0.006020 -0.000589 -0.008380 30O 1dx2y2 -0.000934 -0.001681 0.000142 -0.002217 0.001046 -0.000856 30O 1dxy -0.005781 -0.000844 -0.004103 -0.005727 0.003379 0.006587 30O 2dz2 0.004172 -0.012112 0.117916 0.070092 -0.012852 -0.109675 30O 2dxz 0.013320 -0.032473 -0.041970 -0.015929 -0.064079 0.014337 30O 2dyz -0.232884 -0.167950 -0.072668 -0.002126 0.021015 -0.026968 30O 2dx2y2 -0.107424 -0.041861 -0.009154 -0.075922 0.040737 0.068181 30O 2dxy -0.079023 -0.088316 -0.022717 -0.037225 0.002628 0.043830 30O 1f0 0.007664 0.007871 0.008684 -0.009340 -0.005115 0.015183 30O 1f+1 0.016952 0.010990 0.028822 0.018290 0.034395 -0.032120 30O 1f-1 -0.000654 -0.003543 0.016972 0.008402 0.027494 -0.029614 30O 1f+2 0.000361 0.003048 -0.012734 -0.006242 -0.006623 0.023760 30O 1f-2 0.009339 0.005572 -0.003203 0.010624 -0.015841 -0.002789 30O 1f+3 -0.004282 -0.003463 -0.007290 -0.008808 -0.012130 0.028984 30O 1f-3 -0.001339 -0.004613 0.021894 0.014795 0.004670 -0.014896 31O 1s 0.005923 0.003193 -0.004046 -0.009133 0.002844 0.003843 31O 2s 0.023160 0.012908 -0.013243 -0.031217 0.009075 0.014353 31O 3s -0.215817 -0.118396 0.080115 0.276133 -0.019516 -0.077467 31O 4s 0.889187 0.510835 -0.051362 -0.753608 -0.250001 0.034235 31O 5s -1.376159 -0.827169 0.640715 -0.018079 -0.179811 -0.748166 31O 1pz 0.103813 -0.154137 -0.038215 0.019898 0.059593 -0.015492 31O 1px -0.088317 -0.111865 0.026952 -0.068476 -0.020535 -0.099844 31O 1py 0.266080 0.004281 -0.060198 -0.068316 -0.050437 -0.088932 31O 2pz -0.161238 0.242639 0.231786 -0.115969 -0.252229 0.060978 31O 2px -0.000475 0.123354 -0.053520 0.338912 0.144599 0.302931 31O 2py -0.434213 -0.019822 0.056485 0.255655 0.129360 0.289204 31O 3pz -0.055537 -0.224158 0.057948 0.150743 -0.112023 -0.038627 31O 3px 0.299535 0.083380 -0.130122 -0.011071 0.044722 0.144255 31O 3py 0.258838 -0.240231 0.120020 0.029337 0.039359 0.175397 31O 1dz2 -0.001727 0.005598 0.003893 0.001384 0.002993 0.004315 31O 1dxz -0.001208 0.003344 0.000584 0.000920 0.005239 0.002654 31O 1dyz 0.007245 0.006770 -0.001767 0.005793 0.000665 0.008425 31O 1dx2y2 0.000531 0.001737 0.000046 -0.002236 -0.001101 0.000750 31O 1dxy 0.005599 0.000863 -0.004167 -0.005574 -0.003474 -0.006764 31O 2dz2 -0.002631 0.014245 0.117561 0.068868 0.014202 0.113538 31O 2dxz -0.017848 0.032301 -0.042425 -0.016934 0.062869 -0.018384 31O 2dyz 0.228556 0.165768 -0.073695 -0.003210 -0.021706 0.025225 31O 2dx2y2 0.105910 0.042197 -0.008184 -0.073682 -0.041829 -0.068645 31O 2dxy 0.070973 0.088438 -0.024489 -0.037267 -0.003311 -0.046350 31O 1f0 0.007124 0.007687 -0.008786 0.009086 -0.005223 0.015037 31O 1f+1 0.015858 0.010798 -0.028805 -0.018431 0.033962 -0.033474 31O 1f-1 -0.000392 -0.003722 -0.016734 -0.008406 0.027317 -0.030485 31O 1f+2 0.000800 0.003200 0.012674 0.005859 -0.006506 0.024232 31O 1f-2 0.009456 0.005675 0.003077 -0.010235 -0.015768 -0.002509 31O 1f+3 -0.003766 -0.003385 0.007225 0.008237 -0.012102 0.029324 31O 1f-3 -0.001450 -0.004697 -0.021627 -0.014732 0.004330 -0.015586 32O 1s 0.002938 -0.000699 -0.000713 -0.020953 -0.000478 -0.002310 32O 2s 0.009083 -0.001536 -0.001692 -0.070100 -0.000994 -0.007962 32O 3s -0.035937 -0.013642 -0.006811 0.426402 -0.007912 0.055913 32O 4s 0.050836 0.057506 0.049460 -0.548728 0.030640 -0.097154 32O 5s -0.418397 0.186680 0.080861 0.765247 0.123251 0.089842 32O 1pz -0.041715 -0.001064 -0.009288 -0.053301 0.001848 -0.005209 32O 1px 0.069057 -0.083342 -0.016637 0.126353 -0.019233 0.026139 32O 1py 0.043238 -0.026009 0.008571 -0.065909 0.015001 0.000393 32O 2pz 0.024936 0.054814 0.007767 0.133349 -0.002294 0.013886 32O 2px -0.066107 0.106260 -0.002472 -0.291956 0.006948 -0.043260 32O 2py -0.124150 0.087805 0.018920 0.212642 0.005405 0.001692 32O 3pz -0.041564 -0.035437 -0.044230 -0.059501 0.007293 0.002914 32O 3px -0.037045 -0.040787 -0.068205 0.168912 -0.018843 0.061133 32O 3py -0.069993 0.038946 0.066161 0.058545 0.049841 -0.024693 32O 1dz2 0.002634 -0.002122 -0.000936 -0.002386 -0.000488 0.000102 32O 1dxz 0.000300 -0.000513 -0.001954 -0.003324 -0.000033 -0.000538 32O 1dyz -0.001484 -0.003701 -0.000582 -0.000571 0.000830 0.000759 32O 1dx2y2 -0.002802 0.001147 -0.001152 0.003484 0.000837 0.000584 32O 1dxy -0.001679 0.001190 0.000751 0.000365 -0.000001 -0.002122 32O 2dz2 -0.005365 0.019913 -0.003154 0.018497 0.009218 0.004323 32O 2dxz -0.019585 0.011022 0.007322 0.005929 0.017419 -0.010889 32O 2dyz -0.027591 -0.003109 -0.013136 0.025799 -0.000175 0.011052 32O 2dx2y2 -0.011917 -0.012400 -0.011912 -0.002818 0.007998 0.007884 32O 2dxy 0.011050 0.002578 -0.022898 -0.072124 -0.016652 -0.014327 32O 1f0 -0.004246 0.004136 0.002056 0.006463 0.001707 -0.001445 32O 1f+1 0.000676 -0.001968 -0.001084 -0.003132 -0.000398 0.000255 32O 1f-1 -0.005764 0.004382 0.002295 0.007943 0.002164 -0.000927 32O 1f+2 0.001396 -0.003182 0.000244 -0.001259 -0.000528 0.000492 32O 1f-2 0.002702 0.002974 0.002853 0.005542 0.000185 -0.000510 32O 1f+3 -0.002718 0.000409 -0.000416 0.002099 0.000798 -0.000181 32O 1f-3 -0.000632 -0.000298 -0.000528 -0.001380 -0.000731 -0.001884 33O 1s 0.004967 -0.005062 0.002414 -0.008481 0.001019 -0.002777 33O 2s 0.017173 -0.021065 0.007327 -0.029675 0.004412 -0.008383 33O 3s -0.109915 0.218429 -0.035693 0.270446 -0.046225 0.006088 33O 4s 0.252390 -0.999005 -0.005374 -0.760173 0.184928 0.335140 33O 5s -0.608295 1.405928 -0.485825 -0.075109 -0.213380 0.326328 33O 1pz 0.001825 0.188474 -0.057613 0.087040 0.055286 0.009838 33O 1px 0.017987 0.130358 -0.021502 -0.024475 0.008672 0.101507 33O 1py -0.195240 0.013450 0.066586 -0.043851 -0.089269 -0.132153 33O 2pz -0.070084 -0.356766 0.071784 -0.334021 -0.134066 0.092747 33O 2px 0.025000 -0.053489 0.110234 0.247264 -0.089848 -0.351594 33O 2py 0.256390 0.032212 -0.229485 0.127958 0.287397 0.303312 33O 3pz -0.044463 0.095964 0.044990 -0.099544 -0.051569 0.127766 33O 3px 0.263109 -0.238378 0.122924 -0.016572 -0.005347 -0.072912 33O 3py -0.226075 -0.122610 -0.004344 0.117794 0.086169 -0.027482 33O 1dz2 -0.002392 0.002624 0.002920 -0.001541 -0.001122 -0.005058 33O 1dxz -0.004491 -0.000491 -0.001515 0.007035 0.003988 -0.005076 33O 1dyz -0.001874 0.010841 -0.003054 -0.000929 -0.001798 0.001672 33O 1dx2y2 0.002645 -0.000346 0.001501 -0.000037 0.001632 0.004366 33O 1dxy -0.002793 0.001837 0.002532 -0.002185 -0.002648 -0.004544 33O 2dz2 0.003546 0.128598 0.052042 -0.007831 -0.040927 -0.101608 33O 2dxz -0.010312 -0.007532 0.013398 0.050150 0.033662 -0.028481 33O 2dyz -0.072335 0.266561 -0.095989 0.057584 0.017271 0.018395 33O 2dx2y2 -0.029958 -0.038547 0.024366 -0.033441 0.026773 0.044012 33O 2dxy -0.004447 0.014117 0.088560 -0.106707 -0.095239 -0.053817 33O 1f0 0.006448 -0.002655 -0.002065 -0.002208 -0.027807 0.000660 33O 1f+1 0.000235 0.005019 -0.014444 0.024362 0.038328 -0.001733 33O 1f-1 -0.006896 0.008829 -0.005793 -0.002044 0.009228 0.003901 33O 1f+2 -0.001948 -0.007073 0.003987 -0.014191 -0.003808 0.001933 33O 1f-2 -0.001551 0.009245 0.025787 -0.012507 -0.047936 -0.021528 33O 1f+3 -0.001325 0.002948 -0.013390 -0.000001 0.001503 0.010359 33O 1f-3 0.009026 -0.015341 0.024047 -0.017397 -0.033589 -0.015113 34O 1s -0.005296 -0.000807 -0.005165 -0.006916 0.003453 0.000009 34O 2s -0.017908 -0.002643 -0.015672 -0.023167 0.011728 0.001457 34O 3s 0.132075 0.030506 0.080429 0.201481 -0.056954 0.020992 34O 4s -0.237166 -0.073209 0.042166 -0.474190 -0.037717 -0.214449 34O 5s 0.060663 0.100087 0.360337 -0.236941 -0.556721 -0.575097 34O 1pz -0.021267 -0.121284 0.179474 0.042179 -0.030657 0.058575 34O 1px -0.118230 -0.076348 0.049645 0.083198 0.071539 0.103189 34O 1py -0.089548 -0.120662 0.160926 0.079068 0.001952 -0.001919 34O 2pz 0.052452 0.182366 -0.267304 -0.055116 0.111137 -0.141960 34O 2px 0.068511 0.043613 0.012521 -0.320200 -0.228759 -0.368032 34O 2py 0.172541 0.188585 -0.301330 -0.118150 0.069467 -0.014877 34O 3pz 0.242773 -0.185066 -0.000699 -0.060103 0.046234 -0.119950 34O 3px -0.047916 -0.051920 0.105705 -0.196944 -0.123412 -0.301586 34O 3py -0.266987 -0.228784 0.161954 0.342139 0.149539 0.045345 34O 1dz2 -0.002163 -0.001064 0.001056 0.002001 0.000908 0.006879 34O 1dxz -0.000070 -0.000771 -0.003350 0.000137 -0.000860 -0.000532 34O 1dyz 0.004374 0.000964 0.002534 0.004290 0.001180 0.004455 34O 1dx2y2 0.008941 0.007056 -0.003182 -0.007511 -0.006110 -0.009678 34O 1dxy 0.003490 0.001376 -0.000362 0.003610 0.002443 0.004809 34O 2dz2 0.003866 -0.006847 -0.009080 0.022767 0.004889 0.030322 34O 2dxz 0.110732 0.004289 -0.045391 -0.009453 0.033530 -0.050713 34O 2dyz 0.043562 0.036192 0.040225 0.047947 0.013451 0.081978 34O 2dx2y2 0.077003 0.028251 -0.012373 -0.093973 -0.044848 -0.077401 34O 2dxy -0.068948 -0.089942 -0.032399 0.016547 0.018342 -0.063213 34O 1f0 0.004811 0.007587 -0.008415 -0.004598 -0.017862 0.018260 34O 1f+1 0.001071 0.004150 -0.010910 0.005283 0.004572 0.008229 34O 1f-1 0.003988 0.001408 0.003316 -0.001293 -0.007318 0.004950 34O 1f+2 0.012994 0.002096 0.010950 0.003861 0.020797 -0.017622 34O 1f-2 -0.005530 -0.004166 -0.006905 0.000507 -0.012264 0.006100 34O 1f+3 0.009680 0.009868 0.001799 0.003412 -0.018934 0.021191 34O 1f-3 -0.000941 0.002790 -0.005307 -0.014221 -0.025954 -0.005872 35O 1s -0.000224 0.007363 0.001286 -0.004682 -0.001766 -0.006815 35O 2s 0.000629 0.025020 0.003689 -0.015492 -0.005375 -0.022372 35O 3s -0.013400 -0.182687 -0.007838 0.154142 0.029788 0.113099 35O 4s 0.161090 0.323714 -0.088383 -0.443754 -0.003671 0.082288 35O 5s -0.416086 -0.312138 -0.514755 -0.476666 0.066048 0.401654 35O 1pz 0.029567 -0.079179 0.103968 -0.106485 -0.022720 -0.065189 35O 1px 0.024652 0.107361 0.086926 0.061065 -0.040062 -0.115753 35O 1py -0.112321 0.070439 -0.210015 0.106969 0.068265 0.053831 35O 2pz -0.061656 0.132526 -0.218301 0.167263 0.099086 0.139538 35O 2px -0.069442 -0.065461 -0.246234 -0.313554 0.114795 0.338889 35O 2py 0.148676 -0.078787 0.255579 -0.290565 -0.183702 -0.012731 35O 3pz 0.346150 -0.207963 0.259505 -0.207551 0.066934 0.122266 35O 3px 0.138510 0.086688 0.015801 -0.148942 -0.010955 0.093764 35O 3py -0.051884 -0.120477 0.074018 -0.075700 -0.144209 0.029884 35O 1dz2 -0.005518 0.007563 -0.002763 0.006139 -0.001105 -0.002886 35O 1dxz -0.003139 0.003451 -0.002609 0.001991 -0.000033 0.001688 35O 1dyz -0.005825 0.004669 -0.001829 -0.006127 -0.000310 -0.001747 35O 1dx2y2 -0.002181 -0.006444 -0.000382 -0.002700 -0.000047 0.006759 35O 1dxy -0.004763 -0.006008 0.003992 -0.005808 -0.002110 0.000906 35O 2dz2 -0.088563 0.085033 -0.024880 0.073038 0.001030 -0.006003 35O 2dxz 0.043865 -0.086283 -0.052937 0.036677 0.059704 0.039998 35O 2dyz -0.113372 0.002894 -0.023717 -0.058187 -0.000574 -0.039047 35O 2dx2y2 0.030841 0.023536 -0.028182 -0.005835 0.064391 0.126621 35O 2dxy -0.046407 -0.104510 0.025259 -0.090533 -0.055333 -0.030179 35O 1f0 -0.003608 0.002925 -0.003569 0.010104 -0.010242 0.000823 35O 1f+1 0.009015 -0.014968 -0.005276 0.007177 0.009229 -0.000378 35O 1f-1 -0.010393 0.006499 -0.000404 0.001082 0.013704 -0.007818 35O 1f+2 -0.004515 0.002037 0.003175 -0.001407 0.017561 0.000010 35O 1f-2 0.003993 -0.006397 -0.001669 -0.007329 0.008728 0.009075 35O 1f+3 -0.001376 -0.003484 -0.009589 0.008268 -0.037135 0.019218 35O 1f-3 0.008045 -0.004034 0.011907 0.006967 0.010270 -0.013646 480 481 482 483 484 485 2.93803 2.94793 2.97964 2.98410 2.99736 3.00099 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s -0.000154 -0.003892 -0.001505 -0.000314 -0.001049 0.000079 0Rh 2s 0.000751 0.030810 0.008168 0.002096 0.011053 0.001729 0Rh 3s -0.000456 -0.004356 -0.003978 -0.000587 0.000508 0.001525 0Rh 4s -0.004061 -0.162156 -0.044217 -0.011084 -0.057234 -0.008475 0Rh 5s 0.007673 0.321566 0.087947 0.020898 0.110530 0.017833 0Rh 6s -0.006828 -0.211688 -0.090660 -0.009783 -0.031008 0.001867 0Rh 7s 0.032962 -0.004935 0.499936 -0.033709 -0.132760 -0.161281 0Rh 8s 0.046520 -0.131784 0.239348 0.016705 -0.385412 -0.036123 0Rh 1pz 0.003847 0.000283 -0.002897 0.000022 -0.000607 -0.000572 0Rh 1px 0.002702 -0.001575 0.003603 -0.000597 -0.002240 -0.003465 0Rh 1py -0.002981 -0.003545 0.000826 0.000126 -0.001184 -0.000787 0Rh 2pz -0.014597 -0.001198 0.010065 0.000171 0.001769 0.002133 0Rh 2px -0.009938 0.006011 -0.012403 0.002188 0.009000 0.012321 0Rh 2py 0.010563 0.013420 -0.002773 -0.000123 0.004766 0.003419 0Rh 3pz 0.029607 0.004971 -0.000834 -0.006054 0.007696 -0.003615 0Rh 3px 0.013404 -0.012023 -0.002444 -0.002623 -0.027146 -0.006616 0Rh 3py -0.005946 -0.025767 -0.002152 -0.007646 -0.015221 -0.015551 0Rh 4pz -0.020308 -0.012338 -0.073533 0.028170 -0.047163 0.000421 0Rh 4px 0.017502 0.001635 0.111036 -0.005846 0.040499 -0.069973 0Rh 4py -0.052453 0.007619 0.032013 0.037637 0.030350 0.039940 0Rh 5pz 0.043833 0.021450 0.161697 -0.074053 0.092838 -0.005673 0Rh 5px -0.042704 0.024221 -0.265427 0.013631 -0.037529 0.168457 0Rh 5py 0.101456 -0.009972 -0.073517 -0.089850 -0.064093 -0.072556 0Rh 6pz -0.087282 0.191160 -0.776007 0.373914 0.145236 0.178495 0Rh 6px 0.241674 -0.183635 1.427252 0.070732 -0.309088 -0.756460 0Rh 6py -0.198651 0.400330 0.318316 -0.048223 0.199215 0.224381 0Rh 1dz2 -0.001723 -0.001689 -0.009611 0.010047 -0.003579 -0.001117 0Rh 1dxz 0.002425 0.002927 0.000254 -0.007485 -0.000871 0.009667 0Rh 1dyz -0.003642 -0.004280 0.001842 0.028924 0.000633 0.005198 0Rh 1dx2y2 -0.005707 0.002120 0.013825 0.002558 0.008372 0.005092 0Rh 1dxy 0.011980 -0.005197 0.000975 0.003415 -0.001407 -0.009105 0Rh 2dz2 -0.000146 0.000593 0.002237 0.000255 -0.001640 -0.002151 0Rh 2dxz 0.002109 0.001429 0.004175 -0.000808 -0.001781 -0.001059 0Rh 2dyz 0.000999 -0.000054 0.000595 0.001771 -0.000177 -0.000685 0Rh 2dx2y2 -0.000354 -0.001138 -0.005217 -0.000459 0.003534 0.003964 0Rh 2dxy 0.001423 -0.000709 -0.002785 -0.000528 0.001026 -0.000455 0Rh 3dz2 0.005807 0.002615 0.019578 -0.031891 0.018403 0.013176 0Rh 3dxz -0.016889 -0.015098 -0.019608 0.026726 0.010723 -0.025210 0Rh 3dyz 0.006552 0.013343 -0.008296 -0.096613 -0.001132 -0.012876 0Rh 3dx2y2 0.019004 -0.001831 -0.019145 -0.005789 -0.041791 -0.033590 0Rh 3dxy -0.043121 0.018923 0.009510 -0.007998 -0.000307 0.030279 0Rh 4dz2 -0.002029 0.005328 0.019537 0.008939 -0.024999 -0.031497 0Rh 4dxz 0.032500 0.018564 0.057725 -0.018641 -0.024179 -0.002603 0Rh 4dyz 0.011917 -0.003770 0.009305 0.042943 -0.001615 -0.005032 0Rh 4dx2y2 -0.009590 -0.007718 -0.056070 -0.004637 0.055392 0.059942 0Rh 4dxy 0.033245 -0.012284 -0.037394 -0.007401 0.012055 -0.018322 0Rh 5dz2 -0.003434 -0.013765 -0.071689 0.143896 -0.025106 0.038291 0Rh 5dxz -0.087915 0.024643 -0.062474 -0.024930 -0.019860 0.048646 0Rh 5dyz -0.073037 -0.050763 0.009197 0.325186 -0.003385 0.038876 0Rh 5dx2y2 -0.056834 -0.029937 0.140027 0.050032 0.047753 -0.053536 0Rh 5dxy 0.000778 -0.052586 0.059595 0.109042 -0.002893 0.000889 0Rh 1f0 0.030966 0.014772 -0.011416 0.014815 -0.010829 0.002006 0Rh 1f+1 -0.010481 0.000679 0.013962 -0.004684 0.018444 -0.001340 0Rh 1f-1 -0.030554 0.008497 0.011390 0.023255 0.012183 0.005545 0Rh 1f+2 0.055672 -0.001728 -0.002710 0.000745 0.018714 -0.002754 0Rh 1f-2 0.026335 0.014188 -0.000616 -0.025585 0.015736 -0.004059 0Rh 1f+3 -0.038744 -0.017333 0.022457 0.002777 0.021438 0.002453 0Rh 1f-3 0.016738 -0.000469 0.007709 0.013390 0.020768 -0.002599 1Rh 1s 0.000111 -0.003895 0.001502 -0.000375 -0.001054 -0.000174 1Rh 2s -0.000431 0.030874 -0.008147 0.002405 0.011302 -0.000686 1Rh 3s 0.000400 -0.004335 0.003975 -0.000764 0.000629 -0.001453 1Rh 4s 0.002377 -0.162483 0.044106 -0.012767 -0.058494 0.003066 1Rh 5s -0.004385 0.322287 -0.087677 0.024207 0.113157 -0.007174 1Rh 6s 0.004840 -0.212255 0.090195 -0.013228 -0.031636 -0.005958 1Rh 7s -0.033633 -0.005745 -0.499698 -0.014696 -0.152061 0.152505 1Rh 8s -0.048192 -0.129061 -0.236613 0.025890 -0.384253 0.001982 1Rh 1pz 0.003906 -0.000458 -0.002853 0.000068 0.000621 -0.000364 1Rh 1px 0.002744 0.001609 0.003605 0.000380 0.002507 -0.003268 1Rh 1py -0.002911 0.003486 0.000793 -0.000142 0.001267 -0.000730 1Rh 2pz -0.014817 0.001819 0.009889 -0.000477 -0.001834 0.001417 1Rh 2px -0.010097 -0.006147 -0.012411 -0.001426 -0.009943 0.011534 1Rh 2py 0.010299 -0.013185 -0.002652 0.000192 -0.005114 0.003184 1Rh 3pz 0.029986 -0.005300 -0.000226 0.005888 -0.007263 -0.003744 1Rh 3px 0.013694 0.012417 -0.002415 0.002438 0.027469 -0.004351 1Rh 3py -0.005462 0.025085 -0.002276 0.007394 0.016572 -0.014699 1Rh 4pz -0.020208 0.009145 -0.074914 -0.025000 0.045749 0.006921 1Rh 4px 0.017536 -0.002199 0.110925 0.000566 -0.034387 -0.073002 1Rh 4py -0.052524 -0.006265 0.031556 -0.037288 -0.033381 0.038032 1Rh 5pz 0.043492 -0.015081 0.164876 0.066794 -0.089673 -0.020901 1Rh 5px -0.043152 -0.023651 -0.264918 -0.001035 0.023299 0.170438 1Rh 5py 0.101476 0.006800 -0.072572 0.089997 0.069285 -0.068775 1Rh 6pz -0.097405 -0.210491 -0.782307 -0.338021 -0.169980 0.213278 1Rh 6px 0.239588 0.187692 1.420771 -0.136139 0.366253 -0.715678 1Rh 6py -0.194833 -0.392818 0.338988 0.045411 -0.214925 0.214066 1Rh 1dz2 0.001749 -0.001525 0.010098 0.009882 -0.003596 0.000730 1Rh 1dxz -0.002549 0.002185 -0.000525 -0.007559 -0.000232 -0.009313 1Rh 1dyz 0.004256 -0.004415 -0.000946 0.028691 0.001023 -0.005293 1Rh 1dx2y2 0.005708 0.001873 -0.013911 0.002944 0.008556 -0.004423 1Rh 1dxy -0.011828 -0.005106 -0.000677 0.003875 -0.002238 0.009122 1Rh 2dz2 0.000127 0.000597 -0.002217 0.000399 -0.001812 0.001993 1Rh 2dxz -0.002101 0.001354 -0.004200 -0.000618 -0.001887 0.000950 1Rh 2dyz -0.000971 -0.000036 -0.000539 0.001814 -0.000214 0.000655 1Rh 2dx2y2 0.000319 -0.001141 0.005191 -0.000699 0.003846 -0.003619 1Rh 2dxy -0.001432 -0.000618 0.002785 -0.000605 0.000990 0.000561 1Rh 3dz2 -0.005790 0.002092 -0.021159 -0.032034 0.019233 -0.011275 1Rh 3dxz 0.017238 -0.012478 0.020555 0.026102 0.009223 0.024610 1Rh 3dyz -0.008544 0.013672 0.005305 -0.096089 -0.002160 0.013305 1Rh 3dx2y2 -0.018853 -0.001057 0.019526 -0.005902 -0.043765 0.029973 1Rh 3dxy 0.042699 0.018234 -0.010422 -0.009074 0.002429 -0.030813 1Rh 4dz2 0.001650 0.005578 -0.018927 0.010764 -0.027394 0.029075 1Rh 4dxz -0.032564 0.016707 -0.058340 -0.016106 -0.024812 0.001572 1Rh 4dyz -0.011179 -0.003612 -0.008035 0.043302 -0.001799 0.004579 1Rh 4dx2y2 0.009127 -0.008000 0.055597 -0.007496 0.059790 -0.054695 1Rh 4dxy -0.033293 -0.010872 0.037556 -0.007918 0.010462 0.019770 1Rh 5dz2 0.006475 -0.013076 0.077171 0.140650 -0.022277 -0.041187 1Rh 5dxz 0.087372 0.022523 0.061662 -0.028908 -0.016861 -0.049031 1Rh 5dyz 0.079944 -0.051901 0.001720 0.323611 -0.001133 -0.040689 1Rh 5dx2y2 0.057838 -0.030488 -0.139332 0.055559 0.043821 0.056266 1Rh 5dxy 0.001722 -0.056363 -0.055108 0.112741 -0.002837 -0.001079 1Rh 1f0 0.030399 -0.013806 -0.011682 -0.014992 0.010749 0.003536 1Rh 1f+1 -0.010347 0.000032 0.014188 0.004194 -0.018091 -0.002275 1Rh 1f-1 -0.031189 -0.005993 0.010691 -0.023817 -0.012115 0.004718 1Rh 1f+2 0.055510 0.000692 -0.002694 -0.001382 -0.018722 -0.004511 1Rh 1f-2 0.026780 -0.013144 0.000495 0.024724 -0.015350 -0.005369 1Rh 1f+3 -0.038533 0.017272 0.022003 -0.002942 -0.021402 0.000614 1Rh 1f-3 0.016420 0.000858 0.007443 -0.014166 -0.020382 -0.003920 2C 1s 0.000371 -0.004200 0.003743 0.018198 -0.018479 0.002320 2C 2s 0.002055 -0.008615 0.012453 0.049229 -0.050707 0.006298 2C 3s -0.245171 -0.123882 -0.214731 -0.002997 -0.127103 0.073892 2C 4s 1.099405 0.892332 0.936769 -0.895732 1.774915 -0.454950 2C 5s 1.081810 -1.184814 -0.374616 2.615338 -2.778574 0.150565 2C 1pz -0.055194 -0.053324 -0.041602 0.030648 -0.033102 0.036723 2C 1px -0.008725 -0.044110 -0.007385 0.028031 -0.009446 0.005335 2C 1py -0.094357 -0.058575 -0.040544 0.023915 -0.015287 -0.017359 2C 2pz 0.370790 -0.064001 0.780413 0.718706 -0.287488 -0.133124 2C 2px 0.042354 0.112573 -0.004841 -0.056787 0.073931 -0.048401 2C 2py 0.670477 0.477216 0.442408 0.406901 -0.075529 0.046940 2C 3pz 0.279014 -0.256323 0.006198 0.504097 -0.411767 -0.056563 2C 3px 0.089890 -0.085319 -0.140462 -0.011459 -0.043217 0.104951 2C 3py 0.295627 -0.106380 -0.068506 0.310589 -0.294094 -0.021873 2C 1dz2 0.024321 0.021465 0.008651 -0.015329 -0.020717 0.102618 2C 1dxz -0.048224 -0.049124 -0.022565 0.012681 0.022596 -0.072534 2C 1dyz -0.014964 -0.067095 0.007380 0.065491 0.003509 -0.072020 2C 1dx2y2 0.029073 -0.107808 0.031280 0.093356 0.028864 -0.097182 2C 1dxy 0.140734 -0.012742 0.031962 0.055398 0.006235 0.044713 2C 2dz2 0.050677 -0.061593 0.187982 0.259273 -0.118854 -0.048912 2C 2dxz 0.272816 0.272246 0.231596 0.188714 -0.097732 0.078962 2C 2dyz 0.237084 0.115654 0.112287 0.159983 -0.070673 0.071556 2C 2dx2y2 0.025247 0.229952 -0.301459 -0.370397 0.145740 0.193466 2C 2dxy -0.354937 -0.356841 0.079374 0.045959 -0.035664 -0.211765 2C 1f0 0.070377 0.110801 -0.068774 -0.059961 0.017022 0.041472 2C 1f+1 -0.019337 0.066545 0.065523 0.068242 -0.048451 -0.061451 2C 1f-1 0.019870 -0.063299 -0.027778 0.088236 0.012880 -0.027686 2C 1f+2 0.035764 0.082168 -0.024969 0.005790 -0.011061 -0.036651 2C 1f-2 0.061970 -0.023452 0.131174 0.041583 -0.009851 -0.005626 2C 1f+3 -0.001205 -0.111885 0.098494 0.147351 -0.115505 0.049338 2C 1f-3 -0.039542 -0.001154 -0.004280 0.012180 -0.046033 0.056220 3C 1s -0.002445 -0.000123 -0.001012 -0.017476 -0.019862 0.010067 3C 2s -0.010828 0.003001 -0.000602 -0.046218 -0.054385 0.028304 3C 3s 0.410352 -0.218015 -0.285605 -0.077754 -0.153435 -0.123378 3C 4s -2.161130 1.205115 1.500678 1.267741 2.012523 -0.019361 3C 5s 0.998492 -0.370985 -0.364633 -2.573562 -2.883006 0.826707 3C 1pz 0.097150 -0.051013 -0.063092 -0.017618 -0.033294 -0.041787 3C 1px 0.070770 -0.044962 -0.036961 -0.042218 -0.016832 -0.005990 3C 1py -0.084907 0.080282 0.070234 0.072941 0.032237 0.006819 3C 2pz -1.313536 0.619998 0.551923 -0.265305 -0.038600 0.381551 3C 2px -0.699000 0.366009 0.149040 0.087724 0.090666 0.086284 3C 2py 1.041162 -0.403618 -0.734108 0.499326 0.249039 -0.619652 3C 3pz 0.038903 0.021604 0.070374 -0.308349 -0.286845 0.038256 3C 3px -0.000131 0.023560 -0.115052 -0.163405 -0.086954 0.137602 3C 3py -0.210116 0.086183 -0.016445 0.450742 0.420534 -0.141699 3C 1dz2 0.115744 0.014016 -0.054382 0.073427 -0.054266 -0.077571 3C 1dxz -0.059203 0.042952 -0.030417 0.028437 0.010881 0.039748 3C 1dyz 0.034351 0.001454 -0.021159 0.049712 0.015551 -0.043832 3C 1dx2y2 -0.041892 0.013160 0.056091 -0.008497 0.001666 -0.011868 3C 1dxy -0.101520 0.053921 -0.003683 0.014148 0.034986 0.058622 3C 2dz2 -0.339589 0.188353 0.009300 0.028543 0.104287 0.016750 3C 2dxz 0.095747 -0.132396 0.315378 -0.313876 -0.237289 -0.004570 3C 2dyz 0.104508 0.044445 -0.045828 0.133996 0.026999 -0.202275 3C 2dx2y2 0.652985 -0.330055 -0.259732 0.206357 0.110322 -0.212640 3C 2dxy 0.633918 -0.316828 -0.154985 0.048701 0.006897 -0.130632 3C 1f0 0.033884 0.077474 -0.036179 0.170610 0.054288 -0.126530 3C 1f+1 0.006655 -0.006568 -0.019709 -0.002059 0.003216 0.041389 3C 1f-1 -0.120332 0.107646 0.084852 0.049434 0.012162 -0.022773 3C 1f+2 0.028340 -0.010499 0.060773 -0.071955 -0.105414 0.009925 3C 1f-2 -0.015770 0.067694 -0.113083 0.087431 0.022253 -0.059151 3C 1f+3 -0.051821 0.023271 0.049832 -0.068388 -0.073768 -0.025573 3C 1f-3 0.088945 -0.090353 0.089494 -0.016401 0.000933 0.010125 4C 1s -0.000077 -0.011927 -0.000672 0.008436 0.000563 -0.000438 4C 2s -0.002415 -0.037798 -0.003515 0.029435 -0.002818 -0.000677 4C 3s 0.552518 -0.091696 0.126451 -0.204897 0.493896 -0.218937 4C 4s -2.459318 1.218392 -0.677060 0.121965 -2.336102 0.970774 4C 5s -1.451347 1.300850 0.090671 -1.135558 0.813768 0.426596 4C 1pz -0.000391 -0.065108 -0.085734 0.043977 -0.094616 0.016063 4C 1px 0.010818 0.021267 0.066450 -0.065353 0.023753 -0.032129 4C 1py 0.018674 -0.027063 -0.033734 0.003665 -0.046726 -0.005186 4C 2pz -0.002809 0.898271 0.742815 0.161601 -0.254457 0.186927 4C 2px -0.071751 0.098062 0.340877 0.480057 -0.195958 -0.199303 4C 2py -0.083501 0.576964 0.579080 0.257042 -0.221594 0.026920 4C 3pz 0.566341 -0.351254 -0.230071 1.460253 -1.397165 0.088543 4C 3px 0.000703 0.145420 -0.145173 0.316636 -0.192691 -0.083050 4C 3py 0.240569 -0.293196 -0.099511 1.007013 -0.856110 0.174125 4C 1dz2 -0.137598 -0.286820 0.177409 0.190108 -0.147486 -0.008697 4C 1dxz -0.217331 0.064900 -0.223741 -0.086736 0.035952 -0.037571 4C 1dyz 0.115332 -0.003084 0.005490 0.221346 -0.023057 -0.094757 4C 1dx2y2 -0.041433 -0.193576 -0.118423 -0.000158 0.197399 -0.249350 4C 1dxy 0.208224 -0.209776 0.005787 0.030356 -0.077946 0.254318 4C 2dz2 0.037769 0.151780 -0.584809 -0.408580 0.170110 0.115953 4C 2dxz 0.228543 -0.478404 0.411135 0.222542 0.064313 -0.304677 4C 2dyz -0.442125 -0.072522 -0.192283 -0.264620 -0.216039 0.196793 4C 2dx2y2 -0.258673 0.485311 0.357222 0.154886 -0.511860 0.325536 4C 2dxy -0.225887 0.579097 0.137468 0.063459 -0.084253 -0.326918 4C 1f0 -0.001806 -0.031372 -0.068521 -0.002327 0.080330 -0.127680 4C 1f+1 0.172610 -0.202278 0.060214 0.089964 0.062755 -0.013877 4C 1f-1 0.013468 -0.040899 -0.036036 0.022659 -0.039844 0.081199 4C 1f+2 -0.048313 0.158944 -0.055707 -0.061144 -0.061258 0.091343 4C 1f-2 -0.016567 -0.012295 0.048183 0.060222 -0.012095 -0.123078 4C 1f+3 -0.090666 0.002892 -0.096179 -0.010616 0.049308 -0.096125 4C 1f-3 0.103205 -0.101656 -0.081725 0.007002 0.096673 -0.026838 5C 1s 0.003679 -0.009744 -0.001057 -0.011155 0.000135 0.003253 5C 2s 0.015753 -0.030964 -0.006129 -0.038172 -0.004350 0.009301 5C 3s -0.192891 -0.058538 0.376062 0.214814 0.507095 0.320902 5C 4s 0.921683 0.803649 -1.679517 -0.005442 -2.382138 -1.778624 5C 5s -0.536733 0.827564 -0.308554 1.257362 0.874926 -1.216289 5C 1pz 0.074484 -0.050108 -0.063426 -0.038434 -0.070805 0.034305 5C 1px 0.053761 -0.011072 0.053758 0.024521 0.012618 -0.060084 5C 1py -0.159526 0.079335 0.080170 0.048528 0.106034 -0.044485 5C 2pz -1.038771 0.750128 0.327174 0.135032 -0.001397 0.037824 5C 2px -0.631049 0.365787 0.394526 -0.144574 -0.413417 -0.165892 5C 2py 1.837183 -1.203924 -0.623082 -0.106395 0.108921 -0.025279 5C 3pz 0.273414 0.045443 -0.141560 -0.839953 -0.782472 0.121608 5C 3px 0.234080 -0.005453 -0.259842 -0.378019 -0.507071 -0.248416 5C 3py -0.500526 -0.240919 0.203525 1.445709 1.379112 0.004394 5C 1dz2 -0.246575 0.314904 -0.011861 0.222351 -0.028053 -0.242056 5C 1dxz -0.264216 0.090488 0.039869 -0.132256 -0.083524 0.269439 5C 1dyz 0.137751 0.023427 -0.161071 0.273390 0.092968 -0.170209 5C 1dx2y2 -0.103055 0.081372 -0.022517 0.103908 0.173446 0.082610 5C 1dxy 0.001122 -0.071366 0.259796 -0.107865 -0.032396 0.112367 5C 2dz2 0.361355 -0.597685 0.058869 -0.292478 0.288643 0.540561 5C 2dxz 0.384463 -0.306375 -0.023337 0.191929 0.215402 -0.308456 5C 2dyz -0.385677 -0.077618 0.579867 -0.340011 0.109027 0.317751 5C 2dx2y2 -0.572074 0.464040 0.362322 -0.108794 -0.381175 -0.317943 5C 2dxy -0.526897 0.456986 -0.455892 0.261313 0.288441 0.093251 5C 1f0 -0.041067 -0.045752 0.134122 -0.067875 0.023478 0.126888 5C 1f+1 0.043234 -0.057268 -0.048481 0.010853 0.071056 0.020661 5C 1f-1 0.009692 0.029520 0.018202 0.012585 -0.015800 -0.102797 5C 1f+2 0.024434 0.012067 -0.004126 0.058193 0.033397 -0.051489 5C 1f-2 -0.087328 0.125042 -0.118373 0.086471 -0.010417 0.020480 5C 1f+3 -0.010455 -0.135537 0.064156 -0.135717 0.048579 0.185809 5C 1f-3 -0.054258 0.123710 0.002364 0.042748 -0.112920 -0.055871 6C 1s -0.003868 -0.009610 0.000716 -0.011252 0.000442 -0.003168 6C 2s -0.016326 -0.030336 0.004966 -0.038504 -0.003376 -0.009425 6C 3s 0.189991 -0.090879 -0.371053 0.219078 0.524543 -0.280082 6C 4s -0.890726 0.948451 1.687991 -0.011712 -2.486847 1.580760 6C 5s 0.560385 0.881441 0.342894 1.257663 0.779530 1.279143 6C 1pz 0.073405 0.048065 -0.062722 0.039964 0.066639 0.040435 6C 1px 0.052443 0.010040 0.053338 -0.029907 -0.008837 -0.061805 6C 1py -0.157701 -0.075031 0.079177 -0.049592 -0.099871 -0.053392 6C 2pz -1.028841 -0.725871 0.327704 -0.127136 0.008779 0.033628 6C 2px -0.623738 -0.348945 0.395338 0.148910 0.441441 -0.111767 6C 2py 1.820630 1.161055 -0.625756 0.093896 -0.126754 -0.031871 6C 3pz 0.287892 -0.046490 -0.114636 0.842917 0.764103 0.176428 6C 3px 0.236355 0.004299 -0.247535 0.383043 0.521809 -0.189624 6C 3py -0.525018 0.239155 0.158865 -1.443882 -1.369533 -0.100514 6C 1dz2 0.251549 0.309581 0.017688 0.225069 -0.050064 0.228975 6C 1dxz 0.262920 0.094123 -0.041769 -0.136246 -0.058712 -0.259260 6C 1dyz -0.133124 0.031665 0.169549 0.273761 0.080780 0.176887 6C 1dx2y2 0.103804 0.073333 0.025212 0.104138 0.179888 -0.066563 6C 1dxy -0.003115 -0.068914 -0.259035 -0.100981 -0.023881 -0.103577 6C 2dz2 -0.370201 -0.598755 -0.065710 -0.297622 0.335285 -0.498200 6C 2dxz -0.374474 -0.309991 0.026196 0.201642 0.186606 0.300079 6C 2dyz 0.373822 -0.109298 -0.590274 -0.335443 0.124062 -0.312814 6C 2dx2y2 0.564734 0.456115 -0.364375 -0.106355 -0.416339 0.277705 6C 2dxy 0.529162 0.441714 0.452681 0.239583 0.295918 -0.072700 6C 1f0 -0.039780 0.047160 0.135211 0.065780 -0.033318 0.119100 6C 1f+1 0.043754 0.061320 -0.047070 -0.009488 -0.072832 0.019408 6C 1f-1 0.009882 -0.027779 0.018091 -0.015075 0.025396 -0.096689 6C 1f+2 0.024778 -0.009710 -0.005502 -0.058144 -0.028248 -0.050400 6C 1f-2 -0.089754 -0.128310 -0.121317 -0.083021 0.006956 0.016975 6C 1f+3 -0.007774 0.137867 0.067629 0.137310 -0.064207 0.175415 6C 1f-3 -0.056635 -0.127680 0.000792 -0.043408 0.116404 -0.047148 7C 1s 0.000015 -0.011730 0.001025 0.008342 0.000526 0.000376 7C 2s 0.002200 -0.036953 0.004750 0.028969 -0.002795 0.000048 7C 3s -0.551426 -0.105417 -0.138019 -0.182848 0.464424 0.260288 7C 4s 2.452432 1.283310 0.697539 0.021647 -2.200019 -1.158175 7C 5s 1.450919 1.274778 -0.137041 -1.146913 0.859518 -0.338201 7C 1pz 0.002621 0.055921 -0.088107 -0.037697 0.091001 0.026603 7C 1px 0.011221 -0.022106 0.068800 0.063479 -0.021707 -0.036117 7C 1py 0.020776 0.022151 -0.034686 -0.000577 0.045761 -0.000364 7C 2pz -0.041712 -0.798996 0.742066 -0.211967 0.257310 0.187263 7C 2px -0.077120 -0.083427 0.325003 -0.500167 0.220080 -0.153454 7C 2py -0.108810 -0.516544 0.576648 -0.297224 0.234101 0.043149 7C 3pz 0.544612 0.318494 -0.288091 -1.440394 1.376832 0.211339 7C 3px -0.003953 -0.149277 -0.150166 -0.309870 0.199162 -0.048960 7C 3py 0.226129 0.280698 -0.136240 -0.999824 0.839452 0.254096 7C 1dz2 0.141652 -0.279518 -0.169043 0.190936 -0.147168 -0.008363 7C 1dxz 0.217627 0.062761 0.218107 -0.096622 0.034046 0.047882 7C 1dyz -0.115407 -0.012826 0.001572 0.227075 -0.034400 0.092096 7C 1dx2y2 0.040445 -0.188409 0.115006 -0.000674 0.174419 0.268698 7C 1dxy -0.205182 -0.203470 -0.001477 0.024882 -0.054257 -0.264464 7C 2dz2 -0.055023 0.167551 0.567264 -0.431368 0.187941 -0.087426 7C 2dxz -0.238585 -0.451809 -0.398592 0.236456 0.040175 0.280910 7C 2dyz 0.436551 -0.035851 0.189349 -0.293510 -0.186190 -0.217557 7C 2dx2y2 0.274636 0.461192 -0.346418 0.161367 -0.479750 -0.366494 7C 2dxy 0.220773 0.566018 -0.143185 0.079218 -0.116424 0.314984 7C 1f0 -0.000962 0.031121 -0.067847 0.002326 -0.068371 -0.136669 7C 1f+1 0.172998 0.200196 0.056806 -0.094386 -0.058927 -0.014334 7C 1f-1 0.013134 0.038658 -0.037335 -0.019357 0.031942 0.084657 7C 1f+2 -0.048742 -0.157322 -0.053606 0.065723 0.051544 0.095140 7C 1f-2 -0.014314 0.013231 0.046592 -0.063983 0.023207 -0.120735 7C 1f+3 -0.090757 -0.001121 -0.094500 0.011936 -0.039984 -0.102181 7C 1f-3 0.104725 0.101728 -0.081076 -0.005759 -0.094248 -0.035520 8C 1s 0.002348 -0.000010 0.000417 -0.017816 -0.018890 -0.011671 8C 2s 0.010557 0.003169 -0.000997 -0.047155 -0.051719 -0.032708 8C 3s -0.405190 -0.196492 0.285264 -0.077871 -0.156059 0.111283 8C 4s 2.134797 1.087806 -1.468767 1.283947 1.962619 0.181341 8C 5s -1.031056 -0.379455 0.289212 -2.587504 -2.796100 -1.051456 8C 1pz 0.096723 0.046386 -0.062796 0.017477 0.035114 -0.038481 8C 1px 0.070969 0.042596 -0.035179 0.043523 0.016270 -0.003880 8C 1py -0.083996 -0.073969 0.068426 -0.073586 -0.030708 0.005257 8C 2pz -1.299228 -0.572959 0.561569 0.273684 0.021574 0.381883 8C 2px -0.695612 -0.338188 0.150392 -0.082943 -0.089528 0.086671 8C 2py 1.018117 0.355916 -0.755291 -0.513189 -0.214790 -0.638041 8C 3pz 0.044125 -0.014462 0.079105 0.307088 0.284026 0.061770 8C 3px 0.004759 -0.020873 -0.110535 0.166102 0.073317 0.136216 8C 3py -0.218111 -0.094595 -0.030719 -0.450685 -0.407618 -0.176048 8C 1dz2 -0.113703 0.017748 0.056886 0.075498 -0.059063 0.070231 8C 1dxz 0.062986 0.044774 0.030838 0.027560 0.015516 -0.034949 8C 1dyz -0.032255 0.003366 0.022859 0.050530 0.012616 0.044307 8C 1dx2y2 0.039396 0.008002 -0.057336 -0.008482 -0.000921 0.008082 8C 1dxy 0.103454 0.055536 0.004805 0.013652 0.039690 -0.047249 8C 2dz2 0.339406 0.179653 -0.011773 0.024186 0.101397 -0.005328 8C 2dxz -0.115423 -0.140855 -0.320082 -0.310227 -0.242408 -0.018861 8C 2dyz -0.104279 0.049214 0.051404 0.139927 0.010992 0.203468 8C 2dx2y2 -0.640490 -0.303943 0.269871 0.214843 0.100796 0.222580 8C 2dxy -0.636428 -0.302864 0.159425 0.052793 0.002267 0.128058 8C 1f0 0.031063 -0.077811 -0.041321 -0.173672 -0.043943 -0.127596 8C 1f+1 0.006083 0.004618 -0.019848 0.005540 -0.005836 0.038449 8C 1f-1 -0.120482 -0.103107 0.081929 -0.052445 -0.008316 -0.024823 8C 1f+2 0.028658 0.007216 0.061843 0.069702 0.103929 0.015247 8C 1f-2 -0.017785 -0.066638 -0.114302 -0.084431 -0.017094 -0.056114 8C 1f+3 -0.050791 -0.021370 0.052007 0.068929 0.077955 -0.016648 8C 1f-3 0.089186 0.089158 0.088633 0.014326 -0.000421 0.009070 9C 1s -0.000326 -0.004205 -0.003014 0.018126 -0.018229 -0.004154 9C 2s -0.001868 -0.008850 -0.010506 0.049192 -0.050081 -0.011309 9C 3s 0.237068 -0.100464 0.217780 -0.022850 -0.112860 -0.086237 9C 4s -1.054083 0.761905 -0.988675 -0.788703 1.690916 0.631722 9C 5s -1.062884 -1.124374 0.482187 2.584159 -2.752324 -0.409971 9C 1pz -0.052818 0.046646 -0.043391 -0.025153 0.028291 0.041434 9C 1px -0.007356 0.043236 -0.008518 -0.027418 0.009235 0.006498 9C 1py -0.092848 0.054618 -0.042159 -0.020387 0.014845 -0.016926 9C 2pz 0.338132 0.130035 0.757983 -0.770488 0.317441 -0.110874 9C 2px 0.036697 -0.099887 0.002191 0.055185 -0.068167 -0.052086 9C 2py 0.652231 -0.411129 0.433332 -0.449854 0.094275 0.055919 9C 3pz 0.271489 0.249277 -0.011571 -0.505313 0.416921 -0.016921 9C 3px 0.086555 0.079928 -0.141407 0.020899 0.030284 0.103268 9C 3py 0.293001 0.101775 -0.081497 -0.310352 0.296863 0.006004 9C 1dz2 -0.023775 0.023146 -0.008605 -0.017285 -0.012907 -0.104390 9C 1dxz 0.046833 -0.046336 0.022710 0.010282 0.016750 0.071350 9C 1dyz 0.014954 -0.067855 -0.004468 0.066109 -0.001889 0.072082 9C 1dx2y2 -0.026725 -0.110389 -0.028251 0.096315 0.017252 0.096147 9C 1dxy -0.141890 -0.019069 -0.031528 0.061142 0.006493 -0.047276 9C 2dz2 -0.040543 -0.081840 -0.177661 0.270105 -0.125956 0.040821 9C 2dxz -0.266516 0.248727 -0.227700 0.207803 -0.098592 -0.089859 9C 2dyz -0.234673 0.096895 -0.111531 0.174283 -0.073592 -0.079775 9C 2dx2y2 -0.042863 0.248966 0.286573 -0.386734 0.168741 -0.179395 9C 2dxy 0.357106 -0.335029 -0.069531 0.034092 -0.043858 0.204191 9C 1f0 0.070675 -0.107733 -0.066671 0.062111 -0.020922 0.039076 9C 1f+1 -0.020252 -0.063578 0.061545 -0.071360 0.053353 -0.058933 9C 1f-1 0.020528 0.065433 -0.030495 -0.088997 -0.008445 -0.027688 9C 1f+2 0.036035 -0.080443 -0.025326 -0.008283 0.015865 -0.035752 9C 1f-2 0.060501 0.023228 0.128299 -0.049130 0.012328 -0.004675 9C 1f+3 -0.002100 0.109851 0.092098 -0.147752 0.109814 0.061052 9C 1f-3 -0.041085 0.003870 -0.002652 -0.014666 0.044049 0.060830 10H 1s 0.021710 0.001951 0.052816 0.023474 0.025833 -0.040681 10H 2s -0.084260 -0.299210 0.378567 0.899941 -0.773570 0.024688 10H 3s -0.040623 0.161182 0.069829 -0.273910 0.353629 -0.097168 10H 1pz -0.087083 -0.181320 0.126209 0.302498 -0.247638 -0.044252 10H 1px 0.008017 0.040003 -0.080695 -0.272297 0.286935 -0.060396 10H 1py 0.093136 0.022115 0.069001 0.128472 -0.115281 0.075428 11H 1s -0.085016 -0.040372 -0.033318 -0.073258 0.054794 -0.054500 11H 2s -0.452485 -0.558527 -0.020510 0.530502 -0.598366 -0.002228 11H 3s 0.019971 0.131436 0.010025 -0.304145 0.407213 -0.017593 11H 1pz -0.180488 -0.279618 -0.012398 0.216137 -0.199687 0.005555 11H 1px -0.042368 -0.114192 -0.008505 0.155988 -0.205435 0.081002 11H 1py -0.017972 0.016466 -0.064049 -0.164175 0.152687 0.016008 12H 1s 0.123225 0.118445 -0.020033 -0.080099 0.035632 0.083798 12H 2s 0.173217 0.260056 -0.114560 0.470366 -0.485242 0.267694 12H 3s 0.004060 0.061804 -0.001285 -0.296355 0.362920 -0.056136 12H 1pz 0.051123 0.076075 -0.106374 -0.100927 0.096253 0.000508 12H 1px -0.031745 0.005563 -0.071295 0.060754 -0.096093 0.037934 12H 1py 0.057723 0.054786 -0.042833 0.263288 -0.236237 0.060303 13H 1s -0.027184 0.032166 0.068670 0.002092 0.023502 -0.022187 13H 2s -0.158797 -0.068172 0.200172 -0.872723 -0.863761 0.316992 13H 3s -0.050235 0.081561 0.109361 0.303002 0.371464 -0.163867 13H 1pz -0.151852 0.035090 0.055803 -0.293224 -0.279820 0.164225 13H 1px -0.010560 0.026699 0.017711 0.196364 0.245510 -0.074582 13H 1py -0.109203 0.104678 -0.067001 0.243669 0.216935 -0.046768 14H 1s -0.161222 0.093748 0.008768 0.071974 0.072698 0.044041 14H 2s -0.524469 0.273003 -0.265641 -0.402589 -0.451207 0.237498 14H 3s -0.060156 0.033335 0.043163 0.252595 0.382104 -0.104029 14H 1pz -0.149255 0.080778 -0.041218 -0.141797 -0.144042 0.040135 14H 1px -0.086575 0.038722 -0.144242 -0.185708 -0.234564 0.095726 14H 1py 0.025148 -0.030743 0.093291 -0.087452 -0.093845 0.070720 15H 1s 0.114283 -0.055245 -0.028641 0.081046 0.035277 -0.047591 15H 2s 0.650900 -0.470771 -0.263149 -0.660419 -0.683991 0.261784 15H 3s -0.128343 0.067865 0.066661 0.305626 0.438383 -0.090887 15H 1pz 0.059667 -0.008167 -0.008085 0.191662 0.215535 -0.122402 15H 1px 0.051831 -0.057846 -0.057387 -0.055678 -0.039887 0.077262 15H 1py -0.315617 0.256684 0.119416 0.311182 0.275783 -0.125760 16H 1s -0.005797 0.020044 0.016443 -0.015113 0.007565 0.007766 16H 2s 0.001568 -0.296174 0.069017 -0.054447 -0.170305 -0.079016 16H 3s -0.023794 0.032010 -0.091382 -0.012771 0.090885 0.041571 16H 1pz -0.011095 -0.119255 0.041382 -0.023361 -0.069596 -0.029804 16H 1px -0.002512 -0.014291 -0.014785 -0.011064 -0.026285 0.015070 16H 1py -0.009889 -0.015077 -0.005500 -0.000578 -0.000968 -0.001822 17H 1s 0.011344 0.012022 0.012305 0.006740 0.000366 -0.013369 17H 2s -0.013122 -0.271674 0.078117 -0.021628 -0.163129 -0.019159 17H 3s -0.018242 0.022070 -0.082824 0.003744 0.078822 0.019481 17H 1pz -0.011889 0.090406 -0.020436 0.019770 0.062145 0.012481 17H 1px 0.013658 0.056377 -0.048001 0.002154 0.018156 0.007009 17H 1py 0.001657 -0.030653 0.004021 0.005977 -0.014563 0.006353 18H 1s -0.011034 0.012093 -0.012030 0.007744 -0.000718 0.013149 18H 2s 0.012926 -0.271899 -0.078609 -0.018646 -0.160138 0.003959 18H 3s 0.019646 0.022282 0.082204 0.000728 0.079706 -0.013662 18H 1pz -0.012370 -0.091669 -0.021444 -0.018046 -0.062214 0.008023 18H 1px 0.014131 -0.056593 -0.048849 -0.000778 -0.017844 0.005024 18H 1py 0.001119 0.028296 0.003417 -0.006194 0.011837 0.007909 19H 1s 0.005634 0.019472 -0.016844 -0.014925 0.008121 -0.005870 19H 2s -0.006761 -0.298861 -0.069670 -0.048413 -0.174282 0.066024 19H 3s 0.023213 0.031740 0.090240 -0.017226 0.093040 -0.032664 19H 1pz -0.008579 0.120040 0.041064 0.020609 0.070586 -0.023871 19H 1px -0.002162 0.014034 -0.015721 0.011400 0.024131 0.016558 19H 1py -0.009083 0.018903 -0.004005 0.000958 0.003017 -0.002953 20H 1s -0.114210 -0.053567 0.031586 0.081887 0.031714 0.049211 20H 2s -0.651131 -0.441210 0.241742 -0.671400 -0.651060 -0.316376 20H 3s 0.129481 0.061650 -0.057609 0.309545 0.427650 0.125451 20H 1pz 0.058281 0.008724 -0.014686 -0.196044 -0.204901 -0.138982 20H 1px 0.051644 0.053739 -0.056566 0.059350 0.033568 0.077567 20H 1py -0.316241 -0.243272 0.109367 -0.315823 -0.259450 -0.147410 21H 1s 0.162848 0.090511 -0.006531 0.071833 0.075558 -0.035140 21H 2s 0.528181 0.270073 0.247697 -0.419845 -0.427241 -0.276904 21H 3s 0.059980 0.031445 -0.035246 0.255951 0.371722 0.137716 21H 1pz -0.149624 -0.078302 -0.036008 0.147278 0.141561 0.056145 21H 1px -0.086940 -0.040339 -0.136511 0.191823 0.222572 0.115887 21H 1py 0.027387 0.030890 0.095032 0.088136 0.088956 0.077432 22H 1s 0.025862 0.028333 -0.068662 0.002866 0.019962 0.022126 22H 2s 0.146025 -0.063524 -0.223825 -0.880719 -0.835209 -0.384395 22H 3s 0.053844 0.077499 -0.101631 0.308432 0.353799 0.190418 22H 1pz -0.149506 -0.036005 0.064064 0.295132 0.263463 0.182102 22H 1px -0.011120 -0.022642 0.011908 -0.200137 -0.238211 -0.095687 22H 1py -0.113399 -0.101592 -0.072982 -0.245259 -0.214103 -0.064349 23H 1s -0.123408 0.115393 0.016471 -0.079843 0.041445 -0.080792 23H 2s -0.177638 0.246327 0.130171 0.464308 -0.464899 -0.315767 23H 3s -0.003592 0.058284 -0.011349 -0.293547 0.357630 0.091254 23H 1pz 0.053357 -0.077075 -0.101308 0.104415 -0.097183 -0.008101 23H 1px -0.031151 -0.006553 -0.073327 -0.051997 0.088028 0.043710 23H 1py 0.059931 -0.050251 -0.053429 -0.261313 0.232792 0.085019 24H 1s 0.085850 -0.038109 0.031020 -0.074786 0.051413 0.061924 24H 2s 0.451340 -0.532501 0.042357 0.509556 -0.586992 -0.057099 24H 3s -0.018985 0.124130 -0.022692 -0.299292 0.402229 0.055721 24H 1pz -0.178835 0.266610 -0.020924 -0.206312 0.194074 0.027189 24H 1px -0.043138 0.109688 -0.015368 -0.152728 0.198981 0.101080 24H 1py -0.018079 -0.018140 -0.058352 0.165318 -0.152482 0.001956 25H 1s -0.020942 -0.001729 -0.052137 0.028242 0.020486 0.042262 25H 2s 0.091285 -0.301056 -0.339416 0.906830 -0.771120 -0.103122 25H 3s 0.039396 0.152540 -0.083450 -0.265096 0.341531 0.129442 25H 1pz -0.089786 0.178389 0.112521 -0.306066 0.252114 -0.020166 25H 1px 0.008040 -0.038908 -0.068997 0.270702 -0.280365 -0.089905 25H 1py 0.093100 -0.019801 0.063392 -0.128736 0.107072 0.085717 26O 1s -0.002034 0.003096 0.016320 0.006889 -0.014401 -0.009519 26O 2s -0.007887 0.009592 0.056340 0.024003 -0.051442 -0.032377 26O 3s 0.013098 0.012998 -0.345500 -0.167451 0.334697 0.224981 26O 4s 0.204565 -0.391326 0.078271 0.164231 -0.390834 -0.268412 26O 5s 0.914726 -0.812722 -0.405979 -0.948545 1.897271 -0.085896 26O 1pz -0.054744 -0.027115 -0.087749 -0.012048 -0.011607 -0.034205 26O 1px 0.079562 -0.163992 -0.215770 -0.032111 0.199052 0.028252 26O 1py 0.127425 0.067708 -0.131768 -0.058959 0.058766 0.138041 26O 2pz 0.043497 0.097691 0.132096 0.056664 -0.036594 0.050458 26O 2px -0.369415 0.593681 0.592517 0.145983 -0.572227 -0.089051 26O 2py -0.268998 0.004056 0.357952 0.175472 -0.272188 -0.157370 26O 3pz -0.169445 0.220054 -0.355896 -0.425869 0.384104 0.063122 26O 3px -0.337450 0.310096 -0.562723 0.186911 -0.224082 0.283485 26O 3py -0.110618 0.238842 -0.328541 -0.165971 -0.045346 0.394366 26O 1dz2 -0.005045 0.000868 0.007330 0.001806 -0.000245 -0.003238 26O 1dxz 0.001040 0.000600 -0.001523 -0.003459 0.001786 0.000956 26O 1dyz 0.003775 -0.000839 -0.002628 -0.003073 0.006449 0.001154 26O 1dx2y2 0.006055 -0.009735 -0.009743 0.001495 0.007235 -0.000308 26O 1dxy 0.010116 -0.004474 -0.013081 -0.003597 0.010985 0.000711 26O 2dz2 -0.043690 0.036353 0.037305 -0.009910 -0.020820 -0.025719 26O 2dxz -0.057947 -0.029470 0.058323 0.033883 -0.066272 -0.000569 26O 2dyz 0.047253 0.009557 0.031958 -0.009911 0.022891 -0.015172 26O 2dx2y2 0.033062 -0.180232 -0.003913 0.038662 0.062065 0.017952 26O 2dxy 0.056203 -0.048815 -0.037809 -0.000839 0.095919 -0.052081 26O 1f0 0.020301 -0.002186 0.004549 -0.005980 0.006676 0.001923 26O 1f+1 0.003761 -0.003667 -0.007713 0.000014 0.006239 -0.005239 26O 1f-1 -0.008820 -0.004096 -0.003688 0.002567 0.005541 -0.017335 26O 1f+2 -0.023816 0.002262 -0.009636 0.002692 -0.002530 -0.013842 26O 1f-2 -0.012847 0.011451 -0.007475 0.006417 -0.007132 -0.000976 26O 1f+3 0.027739 0.000682 0.014180 0.005252 -0.025604 0.043190 26O 1f-3 0.005755 -0.015899 -0.011898 -0.004173 0.017807 -0.016948 27O 1s -0.005056 0.002964 0.016307 -0.004870 -0.016603 -0.011443 27O 2s -0.015189 0.009169 0.055675 -0.018005 -0.058748 -0.039439 27O 3s 0.045488 0.008524 -0.359125 0.159379 0.375387 0.219642 27O 4s 0.308932 -0.342521 0.205046 -0.359329 -0.355683 -0.029916 27O 5s 0.254263 -1.050506 0.152337 0.638364 1.927855 1.225730 27O 1pz -0.095531 0.112182 -0.034597 0.045076 -0.001658 0.036147 27O 1px 0.050821 -0.107464 -0.184025 0.006925 0.243211 0.196363 27O 1py -0.081377 -0.010855 0.133661 -0.021285 -0.013869 0.051027 27O 2pz 0.114911 -0.190857 0.071147 -0.149453 -0.025256 0.037967 27O 2px -0.299232 0.525394 0.447411 0.015048 -0.734617 -0.639209 27O 2py 0.187952 -0.110037 -0.196035 0.035349 0.107266 0.009145 27O 3pz -0.017731 -0.049104 -0.002891 0.144339 0.179785 0.207919 27O 3px -0.141254 0.190718 -0.739038 0.078844 -0.303960 -0.053146 27O 3py 0.100899 -0.022425 0.510513 -0.552980 -0.300159 0.181208 27O 1dz2 -0.000128 0.006278 0.007796 -0.001869 -0.009027 -0.004716 27O 1dxz -0.004808 0.002647 0.000020 0.004880 0.001101 -0.001419 27O 1dyz 0.003897 0.002461 0.000244 -0.001832 -0.005632 -0.005947 27O 1dx2y2 0.004437 -0.000922 -0.009002 -0.001121 0.009938 0.009329 27O 1dxy 0.001294 0.001286 0.001942 -0.003883 -0.006259 -0.007485 27O 2dz2 -0.036421 0.098456 -0.000402 0.018949 -0.063124 -0.045279 27O 2dxz -0.098106 0.081837 -0.023565 0.095447 -0.012241 -0.099543 27O 2dyz 0.085053 -0.007782 -0.026516 -0.052889 -0.047627 -0.026471 27O 2dx2y2 0.038359 -0.060863 -0.026770 -0.055429 0.119110 0.085409 27O 2dxy -0.005417 0.056523 -0.061692 0.032056 0.052367 -0.054925 27O 1f0 0.021341 -0.008205 -0.008536 0.019146 0.010534 -0.020249 27O 1f+1 0.009805 -0.013790 -0.002166 0.000635 0.011162 0.006619 27O 1f-1 -0.004040 0.007720 -0.009236 0.004647 -0.003726 -0.009151 27O 1f+2 -0.029432 0.005321 0.006205 -0.017547 -0.007944 0.036180 27O 1f-2 0.019653 -0.010462 -0.006655 0.005740 0.001263 -0.015010 27O 1f+3 0.012783 -0.003979 -0.014905 0.004984 0.002601 -0.011249 27O 1f-3 -0.000413 0.009823 -0.020952 0.004271 -0.014665 -0.020423 28O 1s -0.005019 -0.003863 -0.009511 0.012048 -0.020688 0.007055 28O 2s -0.017437 -0.013886 -0.034334 0.041696 -0.071900 0.024332 28O 3s 0.068734 0.184063 0.222888 -0.335041 0.482474 -0.121393 28O 4s 0.194920 -0.769817 -0.112516 0.879160 -0.734257 -0.161958 28O 5s 0.625956 -0.615708 0.068441 -0.984946 1.935840 -0.631454 28O 1pz 0.143845 -0.011857 0.209206 0.051901 0.073521 -0.034931 28O 1px -0.057033 0.155628 -0.092026 0.008045 -0.199149 0.171287 28O 1py -0.058232 -0.090478 0.068795 0.052952 -0.026455 -0.150348 28O 2pz -0.397807 0.250473 -0.372606 -0.104600 -0.301430 0.240913 28O 2px 0.296736 -0.607956 0.300391 0.150915 0.448229 -0.492494 28O 2py 0.074240 0.257490 -0.129940 -0.064938 0.021086 0.226408 28O 3pz -0.101575 -0.026968 0.693872 -0.104545 -0.119325 0.072595 28O 3px 0.154841 -0.115577 -0.290814 -0.163049 0.324954 0.130489 28O 3py -0.069590 0.068927 0.081070 -0.175764 0.170255 -0.385894 28O 1dz2 0.003650 -0.001308 0.004556 -0.000416 0.000024 0.001404 28O 1dxz -0.010183 0.004103 -0.011216 -0.003286 -0.008481 0.011185 28O 1dyz 0.002791 -0.004534 0.007046 -0.001839 0.004311 -0.004672 28O 1dx2y2 0.004411 -0.007526 0.009139 0.001610 0.005147 -0.001288 28O 1dxy 0.002171 0.003738 -0.001850 -0.001911 0.002399 0.000542 28O 2dz2 -0.022476 0.078276 -0.033058 -0.068477 -0.028637 0.049420 28O 2dxz -0.039613 0.037415 0.029072 0.023479 -0.118335 0.072333 28O 2dyz -0.021252 -0.036259 0.046891 -0.049685 0.010056 0.038995 28O 2dx2y2 0.092607 -0.109582 0.037810 0.013138 0.111646 -0.021264 28O 2dxy 0.069817 0.048167 -0.025183 -0.016756 0.054592 -0.070196 28O 1f0 0.013176 -0.011461 0.022339 0.014190 -0.018447 0.020458 28O 1f+1 0.012711 0.007144 -0.020657 -0.013769 0.028291 -0.022156 28O 1f-1 -0.011102 0.010358 -0.000189 0.007207 -0.006465 -0.002851 28O 1f+2 -0.007086 0.010776 -0.002737 -0.013987 0.000904 0.009391 28O 1f-2 0.012490 -0.027465 -0.002570 -0.005275 -0.002496 0.022189 28O 1f+3 0.008149 0.015835 -0.007696 -0.016786 0.008280 0.012225 28O 1f-3 0.008410 -0.018232 0.008831 -0.008137 0.001834 0.009766 29O 1s 0.000067 -0.013603 -0.001178 -0.001095 -0.013085 0.000634 29O 2s 0.000559 -0.045045 -0.003255 -0.003523 -0.044482 0.001778 29O 3s -0.010675 0.262453 0.010909 0.018703 0.290328 -0.006788 29O 4s 0.050596 -0.313170 0.177927 -0.027762 -0.447323 -0.079018 29O 5s -0.095913 0.598075 -0.897370 0.101392 0.597956 0.418512 29O 1pz -0.009639 0.033694 0.044233 0.005051 0.038149 -0.015496 29O 1px -0.002460 -0.086678 -0.154758 -0.010087 -0.088689 0.069529 29O 1py -0.009366 0.021145 -0.105158 0.001649 0.049682 0.040675 29O 2pz 0.005182 -0.098846 -0.057857 -0.014168 -0.094539 -0.000010 29O 2px 0.000898 0.213503 0.209316 0.026728 0.198396 -0.101858 29O 2py 0.009833 -0.121773 0.214364 -0.011709 -0.129804 -0.081532 29O 3pz -0.011900 0.014096 -0.086131 -0.066781 0.077975 0.046626 29O 3px 0.050194 -0.084534 0.269578 -0.029289 -0.184431 -0.099902 29O 3py 0.008700 -0.158263 -0.050125 -0.036467 -0.054769 -0.025675 29O 1dz2 0.000866 -0.001745 0.002317 -0.001968 -0.001056 -0.001056 29O 1dxz -0.001729 -0.001727 0.003795 0.001835 -0.001869 -0.001196 29O 1dyz -0.001029 -0.001124 -0.000577 0.000352 -0.000933 -0.001228 29O 1dx2y2 -0.001135 0.001522 -0.003735 0.000284 0.000564 0.000742 29O 1dxy -0.000105 0.002564 0.000464 0.001499 0.001241 0.000566 29O 2dz2 0.020526 0.018669 0.011551 -0.003055 -0.000712 -0.005713 29O 2dxz -0.010154 0.013125 0.023620 0.000918 -0.005663 -0.009180 29O 2dyz -0.001045 0.017606 -0.001249 0.019523 0.012479 -0.000878 29O 2dx2y2 -0.013986 -0.012660 -0.038529 -0.003729 -0.001804 0.011836 29O 2dxy 0.000227 -0.047820 0.007530 -0.004502 -0.035912 0.003522 29O 1f0 -0.000307 -0.006818 -0.000346 0.000627 -0.002934 -0.000162 29O 1f+1 0.001441 0.002865 -0.000901 -0.000598 0.001062 0.001200 29O 1f-1 0.000136 -0.008070 -0.001802 0.001087 -0.004356 -0.001367 29O 1f+2 -0.000128 0.000980 0.001181 0.000960 -0.000587 -0.000088 29O 1f-2 -0.001548 -0.005351 -0.000689 -0.002920 -0.002925 0.001576 29O 1f+3 0.001285 -0.001899 0.002776 -0.000734 -0.001504 -0.001246 29O 1f-3 0.000286 0.000369 -0.002497 0.000239 -0.000845 -0.000453 30O 1s -0.006665 0.002104 -0.008903 -0.009445 -0.018407 0.011460 30O 2s -0.021347 0.005773 -0.032361 -0.032503 -0.064672 0.039409 30O 3s 0.087921 0.050673 0.185170 0.278062 0.452769 -0.302153 30O 4s 0.270816 -0.579525 0.085326 -0.797195 -0.842875 0.562275 30O 5s 0.444155 -0.863093 0.409399 0.734235 1.855985 0.083679 30O 1pz 0.182445 -0.139363 0.150642 -0.077683 0.026733 -0.112034 30O 1px -0.054602 0.082757 -0.107160 0.010855 -0.180908 0.037033 30O 1py 0.019197 0.013857 -0.196891 0.049648 -0.037087 -0.046197 30O 2pz -0.465199 0.491666 -0.404245 0.252590 -0.109963 0.060248 30O 2px 0.244363 -0.411692 0.389799 -0.181938 0.337439 -0.003144 30O 2py 0.093104 -0.216334 0.415366 -0.098626 0.177609 0.121653 30O 3pz 0.095086 0.160143 0.302759 0.074961 -0.043117 -0.492243 30O 3px 0.018522 -0.205953 -0.174552 0.285248 0.298152 0.205005 30O 3py 0.072170 -0.026595 -0.561980 0.025688 -0.003832 0.031125 30O 1dz2 0.003170 0.001879 -0.002951 0.001417 -0.004624 -0.003282 30O 1dxz -0.008222 0.008894 -0.011888 0.005853 -0.003529 -0.001886 30O 1dyz -0.001027 0.003691 -0.014827 0.000609 -0.007342 0.001584 30O 1dx2y2 0.004316 -0.001286 0.001301 -0.000951 0.002664 -0.003534 30O 1dxy 0.003471 -0.001255 0.008519 -0.001887 0.002705 -0.004607 30O 2dz2 0.049821 -0.005668 0.006045 -0.028665 -0.068602 0.007478 30O 2dxz -0.061344 0.119541 -0.052807 0.049466 -0.075396 -0.061002 30O 2dyz 0.007847 0.026842 -0.023326 -0.040654 -0.073023 -0.022638 30O 2dx2y2 0.069648 -0.070794 0.072638 -0.039270 0.068419 -0.011772 30O 2dxy 0.027605 -0.014316 -0.042921 0.019934 0.050736 -0.070752 30O 1f0 0.013575 -0.013116 0.004129 -0.001269 0.001350 -0.003943 30O 1f+1 0.009069 -0.019483 0.014041 -0.013510 0.007762 0.027434 30O 1f-1 0.004053 -0.017676 0.008599 -0.015767 0.001335 0.031353 30O 1f+2 -0.003267 0.007841 -0.008574 0.026018 0.021765 -0.008088 30O 1f-2 -0.011615 0.018556 -0.000377 0.008125 -0.006076 -0.015394 30O 1f+3 0.011339 0.004333 -0.010256 0.022853 0.020834 -0.015256 30O 1f-3 0.012259 -0.005429 -0.012835 0.006589 0.005818 -0.003606 31O 1s 0.006514 0.002228 0.008608 -0.010224 -0.017458 -0.012913 31O 2s 0.020863 0.006272 0.031351 -0.035207 -0.061374 -0.044563 31O 3s -0.083933 0.047855 -0.176970 0.295562 0.427801 0.339169 31O 4s -0.281288 -0.578048 -0.104843 -0.810749 -0.799148 -0.637107 31O 5s -0.433319 -0.898352 -0.389652 0.754953 1.850904 0.052554 31O 1pz 0.187049 0.141011 0.151522 0.069825 -0.015934 -0.112525 31O 1px -0.054872 -0.085878 -0.108157 -0.005535 0.176931 0.049573 31O 1py 0.018959 -0.017375 -0.197749 -0.043663 0.039305 -0.038979 31O 2pz -0.475136 -0.495332 -0.407531 -0.235661 0.101650 0.068741 31O 2px 0.247397 0.422469 0.395280 0.166895 -0.332959 -0.021958 31O 2py 0.092455 0.225945 0.417416 0.084818 -0.183556 0.104345 31O 3pz 0.095812 -0.163775 0.304015 -0.093386 0.086094 -0.479471 31O 3px 0.014260 0.216428 -0.185498 -0.276607 -0.310730 0.187144 31O 3py 0.071282 0.032682 -0.561645 -0.009301 0.000352 0.050013 31O 1dz2 -0.003214 0.002041 0.003017 0.001342 -0.004840 0.002699 31O 1dxz 0.008391 0.009069 0.011992 0.005387 -0.003599 0.001477 31O 1dyz 0.001167 0.004098 0.014788 0.000140 -0.007013 -0.002176 31O 1dx2y2 -0.004370 -0.001264 -0.001295 -0.000736 0.002358 0.003709 31O 1dxy -0.003549 -0.001536 -0.008529 -0.001470 0.002219 0.004745 31O 2dz2 -0.051526 -0.002620 -0.005267 -0.029198 -0.067297 -0.011118 31O 2dxz 0.062867 0.120214 0.053179 0.048035 -0.080540 0.052200 31O 2dyz -0.008023 0.027973 0.022001 -0.040978 -0.074421 0.015655 31O 2dx2y2 -0.072315 -0.074899 -0.073017 -0.035919 0.066459 0.015263 31O 2dxy -0.026147 -0.014678 0.042716 0.021348 0.045042 0.071062 31O 1f0 0.013642 0.013540 0.004166 0.001049 -0.000879 -0.003274 31O 1f+1 0.009415 0.018973 0.014208 0.013369 -0.010174 0.024935 31O 1f-1 0.004246 0.017040 0.008805 0.015880 -0.004225 0.029512 31O 1f+2 -0.003728 -0.007269 -0.009175 -0.026153 -0.021124 -0.009354 31O 1f-2 -0.011729 -0.018691 -0.000535 -0.008224 0.007338 -0.014619 31O 1f+3 0.011205 -0.003647 -0.010815 -0.023124 -0.019455 -0.016112 31O 1f-3 0.012222 0.004925 -0.013089 -0.006466 -0.005729 -0.004331 32O 1s -0.000214 -0.013667 0.001179 -0.001132 -0.012764 -0.001703 32O 2s -0.001045 -0.045250 0.003272 -0.003621 -0.043429 -0.005425 32O 3s 0.013469 0.263536 -0.011308 0.018990 0.284065 0.030768 32O 4s -0.053782 -0.315041 -0.176741 -0.019664 -0.446105 0.041738 32O 5s 0.101674 0.605298 0.897999 0.059655 0.623361 -0.368694 32O 1pz -0.009313 -0.032454 0.045978 -0.006471 -0.034182 -0.018985 32O 1px -0.000832 0.086974 -0.155197 0.016518 0.081066 0.075294 32O 1py -0.009550 -0.021020 -0.105372 0.002319 -0.052534 0.036226 32O 2pz 0.006662 0.095144 -0.062548 0.014513 0.088209 0.009283 32O 2px -0.001956 -0.215371 0.209142 -0.035494 -0.186172 -0.115157 32O 2py 0.010812 0.122835 0.215187 0.003377 0.134752 -0.070557 32O 3pz -0.008263 -0.013998 -0.081527 0.069644 -0.078245 0.031722 32O 3px 0.052834 0.086293 0.269978 0.017116 0.190458 -0.087752 32O 3py 0.009551 0.158657 -0.051283 0.037159 0.055410 -0.022551 32O 1dz2 -0.000971 -0.001773 -0.002361 -0.001840 -0.001122 0.001126 32O 1dxz 0.001740 -0.001747 -0.003752 0.001952 -0.001882 0.000817 32O 1dyz 0.001021 -0.001101 0.000598 0.000364 -0.001019 0.001040 32O 1dx2y2 0.001147 0.001556 0.003772 0.000091 0.000598 -0.000752 32O 1dxy 0.000107 0.002472 -0.000472 0.001533 0.001267 -0.000588 32O 2dz2 -0.019939 0.018713 -0.011298 -0.003171 -0.001843 0.006209 32O 2dxz 0.009954 0.013701 -0.022739 0.001961 -0.005522 0.008055 32O 2dyz 0.002142 0.018839 0.001482 0.019127 0.012266 0.000522 32O 2dx2y2 0.013877 -0.012065 0.038812 -0.005847 -0.000529 -0.012259 32O 2dxy -0.000323 -0.048438 -0.007620 -0.004258 -0.034703 -0.006980 32O 1f0 -0.000305 0.006301 -0.000337 -0.000581 0.002584 0.000316 32O 1f+1 0.001476 -0.003195 -0.000953 0.000559 -0.001307 0.000915 32O 1f-1 0.000225 0.008418 -0.001819 -0.001136 0.004599 -0.000913 32O 1f+2 -0.000148 -0.001371 0.001105 -0.001020 0.000387 0.000058 32O 1f-2 -0.001506 0.005130 -0.000661 0.002977 0.002611 0.001750 32O 1f+3 0.001262 0.002049 0.002794 0.000619 0.001627 -0.001051 32O 1f-3 0.000255 -0.000378 -0.002497 -0.000145 0.000916 -0.000395 33O 1s 0.005185 -0.004035 0.009960 0.011649 -0.020149 -0.008812 33O 2s 0.017959 -0.014368 0.035880 0.040215 -0.070014 -0.030506 33O 3s -0.070950 0.184158 -0.235260 -0.325892 0.473891 0.165720 33O 4s -0.198686 -0.748078 0.145617 0.877748 -0.752570 0.074820 33O 5s -0.656716 -0.604690 -0.108132 -0.963927 1.866535 0.778004 33O 1pz 0.144096 0.011341 0.207342 -0.063569 -0.069102 -0.040401 33O 1px -0.058783 -0.152342 -0.092249 -0.002713 0.183386 0.185123 33O 1py -0.060237 0.086837 0.065004 -0.054940 0.038135 -0.148669 33O 2pz -0.404988 -0.241423 -0.369051 0.129004 0.276141 0.258673 33O 2px 0.304363 0.592765 0.294308 -0.168588 -0.401653 -0.513490 33O 2py 0.077030 -0.246677 -0.123461 0.066934 -0.037312 0.224207 33O 3pz -0.101078 0.033646 0.689079 0.080109 0.113052 0.070164 33O 3px 0.160153 0.113170 -0.283633 0.172344 -0.332633 0.115217 33O 3py -0.064029 -0.069151 0.088546 0.167417 -0.136661 -0.408317 33O 1dz2 -0.003715 -0.001542 -0.004568 -0.000162 0.000010 -0.001468 33O 1dxz 0.010174 0.003985 0.011111 -0.004036 -0.007397 -0.011745 33O 1dyz -0.002816 -0.004667 -0.007053 -0.001448 0.003796 0.005057 33O 1dx2y2 -0.004373 -0.007323 -0.009009 0.001926 0.004999 0.001722 33O 1dxy -0.002189 0.003585 0.001741 -0.001913 0.002381 -0.000263 33O 2dz2 0.020513 0.075957 0.029650 -0.069799 -0.024734 -0.049276 33O 2dxz 0.041595 0.035085 -0.027488 0.023559 -0.111970 -0.080575 33O 2dyz 0.022045 -0.037509 -0.047256 -0.049149 0.013015 -0.036703 33O 2dx2y2 -0.093211 -0.107999 -0.037381 0.015121 0.108752 0.027915 33O 2dxy -0.071415 0.045498 0.023095 -0.014347 0.047236 0.076034 33O 1f0 0.013070 0.011188 0.021572 -0.014549 0.016579 0.022713 33O 1f+1 0.013125 -0.007122 -0.019953 0.013792 -0.026198 -0.025107 33O 1f-1 -0.011334 -0.009991 -0.000403 -0.007239 0.006734 -0.002491 33O 1f+2 -0.007191 -0.010557 -0.002212 0.014389 -0.001943 0.008972 33O 1f-2 0.012400 0.025964 -0.002656 0.006057 0.000236 0.022751 33O 1f+3 0.008184 -0.015538 -0.006982 0.017072 -0.009328 0.011146 33O 1f-3 0.008190 0.017513 0.008908 0.008090 -0.002769 0.009588 34O 1s 0.004955 0.002960 -0.016506 -0.004239 -0.017553 0.009940 34O 2s 0.014874 0.009262 -0.056397 -0.015819 -0.061981 0.034185 34O 3s -0.043035 0.008002 0.365582 0.145044 0.392480 -0.187240 34O 4s -0.312983 -0.340658 -0.222242 -0.345780 -0.349211 0.006981 34O 5s -0.249257 -1.086179 -0.128600 0.634314 2.019953 -1.049055 34O 1pz -0.098969 -0.112580 -0.034016 -0.043301 -0.001031 0.036099 34O 1px 0.051791 0.110786 -0.183600 0.000659 -0.259775 0.173228 34O 1py -0.082688 0.010074 0.133551 0.018146 0.010194 0.047630 34O 2pz 0.122361 0.191337 0.071740 0.147833 0.020429 0.035067 34O 2px -0.301173 -0.535070 0.443929 -0.032763 0.790759 -0.567774 34O 2py 0.189705 0.111329 -0.196709 -0.030740 -0.109821 0.005195 34O 3pz -0.022354 0.045749 -0.008673 -0.143220 -0.198200 0.182292 34O 3px -0.145324 -0.207231 -0.744474 -0.051830 0.302260 -0.021141 34O 3py 0.111922 0.026408 0.525600 0.537536 0.288352 0.187439 34O 1dz2 0.000201 0.006553 -0.007802 -0.001492 -0.009434 0.004114 34O 1dxz 0.004947 0.002631 0.000105 0.004899 0.000923 0.001537 34O 1dyz -0.003892 0.002687 -0.000270 -0.001644 -0.006059 0.005533 34O 1dx2y2 -0.004538 -0.001249 0.008873 -0.001436 0.010695 -0.008358 34O 1dxy -0.001203 0.001567 -0.002039 -0.003710 -0.006835 0.006964 34O 2dz2 0.037372 0.099856 0.001122 0.020372 -0.066493 0.041202 34O 2dxz 0.100944 0.080497 0.025272 0.095170 -0.021933 0.093311 34O 2dyz -0.085756 -0.003457 0.025195 -0.052137 -0.048432 0.024485 34O 2dx2y2 -0.039209 -0.062759 0.024352 -0.056936 0.125551 -0.073013 34O 2dxy 0.006150 0.055833 0.061626 0.031731 0.047724 0.058479 34O 1f0 0.021161 0.008479 -0.009024 -0.019234 -0.008603 -0.019714 34O 1f+1 0.009811 0.014004 -0.002122 -0.000645 -0.011743 0.005559 34O 1f-1 -0.004163 -0.007676 -0.009229 -0.004451 0.004532 -0.008291 34O 1f+2 -0.029250 -0.005454 0.006578 0.018115 0.004755 0.035070 34O 1f-2 0.019508 0.010220 -0.006712 -0.005920 -0.000032 -0.014352 34O 1f+3 0.012811 0.004290 -0.014743 -0.004741 -0.001732 -0.010351 34O 1f-3 -0.000563 -0.010443 -0.020859 -0.003639 0.016294 -0.018341 35O 1s 0.002222 0.002690 -0.016123 0.007686 -0.015295 0.008131 35O 2s 0.008496 0.008318 -0.055617 0.026700 -0.054445 0.027469 35O 3s -0.016168 0.019030 0.340320 -0.184465 0.355331 -0.193440 35O 4s -0.206016 -0.383268 -0.073784 0.171607 -0.413066 0.238118 35O 5s -0.939283 -0.797531 0.369699 -0.950485 1.880334 0.255956 35O 1pz -0.055658 0.027090 -0.086764 0.016210 0.013646 -0.032458 35O 1px 0.079745 0.159482 -0.214703 0.040200 -0.201847 0.008930 35O 1py 0.130097 -0.067411 -0.127494 0.063163 -0.068872 0.133085 35O 2pz 0.043256 -0.094389 0.129234 -0.063742 0.033918 0.049905 35O 2px -0.374399 -0.576867 0.587128 -0.167744 0.580440 -0.032845 35O 2py -0.277484 -0.000892 0.346551 -0.185124 0.281689 -0.132365 35O 3pz -0.165250 -0.213460 -0.333281 0.439133 -0.389258 0.028370 35O 3px -0.343779 -0.310008 -0.564201 -0.158216 0.194739 0.312114 35O 3py -0.110836 -0.245158 -0.322429 0.188813 0.005830 0.407897 35O 1dz2 0.005087 0.000687 -0.007276 0.002025 -0.000552 0.003100 35O 1dxz -0.000964 0.000586 0.001404 -0.003533 0.001870 -0.000726 35O 1dyz -0.003842 -0.001010 0.002469 -0.003052 0.006473 -0.000689 35O 1dx2y2 -0.006049 -0.009587 0.009793 0.001161 0.007180 0.000948 35O 1dxy -0.010186 -0.004546 0.012789 -0.003872 0.010936 0.000280 35O 2dz2 0.044906 0.034250 -0.038093 -0.009318 -0.022758 0.022138 35O 2dxz 0.057784 -0.028170 -0.056394 0.033563 -0.064933 -0.007893 35O 2dyz -0.048193 0.006735 -0.032996 -0.007051 0.020883 0.014373 35O 2dx2y2 -0.032621 -0.175522 0.007245 0.036025 0.064654 -0.011791 35O 2dxy -0.058180 -0.050782 0.036361 0.001602 0.088679 0.060192 35O 1f0 0.020572 0.001756 0.004688 0.005663 -0.006813 0.001740 35O 1f+1 0.003791 0.003994 -0.007645 0.000183 -0.005752 -0.005826 35O 1f-1 -0.008742 0.004067 -0.003640 -0.002612 -0.004062 -0.017980 35O 1f+2 -0.023719 -0.001959 -0.009608 -0.002284 0.003625 -0.014286 35O 1f-2 -0.013139 -0.010731 -0.007545 -0.006187 0.007203 -0.000678 35O 1f+3 0.027479 -0.000728 0.013529 -0.005119 0.021748 0.045874 35O 1f-3 0.006118 0.015484 -0.011449 0.004199 -0.016191 -0.018624 486 487 488 489 490 491 3.00954 3.01036 3.01344 3.01560 3.04951 3.05160 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s -0.000867 -0.000971 0.000368 -0.000785 -0.001012 -0.000948 0Rh 2s 0.006209 0.006778 -0.001098 0.005541 0.008500 0.002613 0Rh 3s -0.001368 -0.001651 0.001515 -0.001294 -0.000844 -0.004033 0Rh 4s -0.032510 -0.036180 0.005740 -0.029450 -0.045107 -0.013836 0Rh 5s 0.058101 0.073371 -0.002773 0.058161 0.093727 0.006613 0Rh 6s -0.002558 -0.060220 -0.037116 -0.037025 -0.077312 0.083997 0Rh 7s -0.182805 -0.046533 0.248300 -0.124146 0.020466 -0.448641 0Rh 8s -0.077390 0.072394 0.031626 0.054646 0.100676 0.228350 0Rh 1pz -0.001087 0.001287 0.001509 0.003965 -0.000027 -0.000656 0Rh 1px -0.002152 0.002340 0.002140 0.003818 -0.000385 -0.005204 0Rh 1py -0.003040 0.004909 -0.002084 -0.001100 -0.000842 -0.001913 0Rh 2pz 0.004423 -0.004235 -0.005540 -0.014342 0.000751 0.002558 0Rh 2px 0.008309 -0.008354 -0.008107 -0.013969 0.001865 0.019561 0Rh 2py 0.011170 -0.017615 0.008250 0.003713 0.002938 0.007077 0Rh 3pz -0.016330 -0.004470 0.006464 0.013997 -0.015000 -0.007711 0Rh 3px -0.019332 0.005097 0.015352 0.016440 -0.011872 -0.033413 0Rh 3py -0.013589 0.014049 -0.024659 0.001695 -0.000911 -0.010661 0Rh 4pz 0.046474 0.048265 0.018344 0.048025 0.060385 0.021961 0Rh 4px 0.019343 0.046132 -0.001427 0.039126 0.035891 -0.014510 0Rh 4py -0.033124 0.073126 0.051821 -0.032419 -0.016229 -0.005529 0Rh 5pz -0.142904 -0.088328 -0.057352 -0.100982 -0.126585 -0.071591 0Rh 5px -0.031444 -0.120787 -0.016682 -0.102951 -0.064656 0.087482 0Rh 5py 0.101092 -0.157190 -0.146118 0.057279 0.029941 0.008745 0Rh 6pz 1.051380 0.247395 0.621274 0.218081 0.818848 -0.721580 0Rh 6px 0.144842 0.780510 0.217927 0.519421 0.281259 -0.747981 0Rh 6py -0.608117 0.578394 0.971314 -0.132610 -0.322787 -0.731752 0Rh 1dz2 0.002534 0.015138 0.000636 0.007893 -0.000978 -0.002743 0Rh 1dxz -0.005399 -0.021416 0.004493 -0.019086 -0.008504 -0.017774 0Rh 1dyz -0.011044 0.007439 -0.004417 -0.010366 -0.004931 0.003426 0Rh 1dx2y2 0.002295 0.004254 -0.002741 -0.016239 0.003190 0.012965 0Rh 1dxy 0.005341 -0.026855 -0.014992 0.013210 0.006521 0.004462 0Rh 2dz2 -0.000025 0.002594 0.000288 0.001204 0.001102 0.001916 0Rh 2dxz -0.000629 -0.000458 0.000230 -0.000998 -0.000529 -0.001736 0Rh 2dyz -0.001160 0.000296 -0.000141 -0.001422 0.001246 0.003205 0Rh 2dx2y2 0.000653 -0.002129 -0.000029 -0.003420 -0.000104 0.000289 0Rh 2dxy 0.001075 -0.003974 -0.000917 0.000442 0.000214 0.000795 0Rh 3dz2 -0.007781 -0.058796 -0.003295 -0.030038 -0.001921 -0.000086 0Rh 3dxz 0.019542 0.068588 -0.015018 0.063736 0.029056 0.063513 0Rh 3dyz 0.039325 -0.024400 0.014201 0.038633 0.009715 -0.025362 0Rh 3dx2y2 -0.010244 -0.003453 0.008637 0.066102 -0.009662 -0.042001 0Rh 3dxy -0.021409 0.101434 0.050520 -0.042914 -0.021495 -0.017642 0Rh 4dz2 0.003338 0.056193 0.005728 0.028857 0.013956 0.022568 0Rh 4dxz -0.014191 -0.030271 0.009091 -0.034156 -0.019276 -0.048060 0Rh 4dyz -0.025718 0.013826 -0.003735 -0.032894 0.012336 0.051039 0Rh 4dx2y2 0.013556 -0.027624 -0.003540 -0.072928 0.005137 0.023627 0Rh 4dxy 0.021448 -0.089164 -0.027630 0.020239 0.012806 0.018166 0Rh 5dz2 -0.008620 -0.040943 -0.021262 -0.027556 -0.029994 -0.055404 0Rh 5dxz -0.029423 -0.111960 0.016433 -0.106344 -0.014242 -0.015988 0Rh 5dyz -0.073196 -0.027946 -0.073211 0.001168 -0.051067 -0.050067 0Rh 5dx2y2 -0.006604 0.107125 -0.025439 0.099760 -0.002337 0.037635 0Rh 5dxy -0.008159 -0.020885 -0.090649 0.082664 0.035699 0.013089 0Rh 1f0 0.002333 -0.012277 0.019796 0.005937 0.004349 0.002106 0Rh 1f+1 0.026367 -0.011971 0.012620 -0.000339 -0.004754 0.014095 0Rh 1f-1 0.022821 -0.031399 0.013273 -0.006372 0.000121 0.051660 0Rh 1f+2 -0.023244 0.013971 -0.003307 0.019505 0.023847 -0.010826 0Rh 1f-2 0.001194 -0.019378 0.031015 0.014216 0.025192 0.025289 0Rh 1f+3 0.028363 0.005609 -0.024669 -0.012302 -0.010447 0.011661 0Rh 1f-3 -0.004138 -0.006084 0.021072 0.011559 0.011353 0.013106 1Rh 1s -0.000984 0.000782 0.000241 0.000811 0.000789 -0.001696 1Rh 2s 0.006907 -0.005397 -0.000194 -0.005602 -0.007500 0.010246 1Rh 3s -0.001636 0.001365 0.001308 0.001412 0.000133 -0.003839 1Rh 4s -0.036284 0.028931 0.000925 0.029764 0.039805 -0.054298 1Rh 5s 0.065859 -0.060025 0.006874 -0.058047 -0.086295 0.095672 1Rh 6s -0.010500 0.057231 -0.044165 0.033550 0.085868 -0.006611 1Rh 7s -0.179066 0.017148 0.237676 0.143689 -0.108124 -0.494898 1Rh 8s -0.072694 -0.083953 0.044017 -0.050890 -0.075702 0.051022 1Rh 1pz 0.000936 0.001359 -0.001915 0.003904 0.000190 0.001588 1Rh 1px 0.001691 0.002661 -0.002553 0.003640 0.000434 0.003547 1Rh 1py 0.002005 0.005529 0.001794 -0.001050 -0.000407 0.002804 1Rh 2pz -0.003941 -0.004592 0.006986 -0.014119 -0.000089 -0.006286 1Rh 2px -0.006658 -0.009609 0.009601 -0.013299 -0.001198 -0.013297 1Rh 2py -0.007450 -0.019940 -0.007172 0.003492 0.001273 -0.010941 1Rh 3pz 0.017116 -0.001701 -0.007477 0.013726 -0.012894 0.018607 1Rh 3px 0.018254 0.008337 -0.016719 0.015205 -0.006932 0.021995 1Rh 3py 0.010419 0.017974 0.023005 0.002900 0.002763 0.028191 1Rh 4pz -0.052692 0.036834 -0.024680 0.047447 0.056697 -0.037809 1Rh 4px -0.028118 0.041737 -0.004577 0.039153 0.039463 0.012706 1Rh 4py 0.018596 0.074639 -0.053071 -0.036720 -0.019919 -0.041041 1Rh 5pz 0.152459 -0.054301 0.069779 -0.099874 -0.115806 0.093030 1Rh 5px 0.054280 -0.112569 0.032137 -0.101842 -0.080803 -0.062800 1Rh 5py -0.069837 -0.163757 0.149926 0.069937 0.038065 0.085330 1Rh 6pz -1.062535 0.012614 -0.649240 0.219544 0.911768 0.427305 1Rh 6px -0.282927 0.736084 -0.304816 0.516899 0.384987 0.432036 1Rh 6py 0.491812 0.614841 -0.990805 -0.222248 -0.279953 -0.271380 1Rh 1dz2 0.005327 -0.014333 0.002156 -0.007851 0.000530 -0.002139 1Rh 1dxz -0.009051 0.020042 0.001612 0.019330 0.006472 -0.004770 1Rh 1dyz -0.008879 -0.009484 -0.004675 0.010425 0.005055 -0.006540 1Rh 1dx2y2 0.003398 -0.003580 -0.003494 0.015917 -0.001377 0.005304 1Rh 1dxy 0.000164 0.026442 -0.015586 -0.014218 -0.005515 0.006699 1Rh 2dz2 0.000446 -0.002511 0.000563 -0.001183 -0.001028 -0.000955 1Rh 2dxz -0.000651 0.000341 0.000112 0.001011 0.000421 0.000517 1Rh 2dyz -0.001083 -0.000541 -0.000184 0.001450 -0.001320 -0.004070 1Rh 2dx2y2 0.000242 0.002213 -0.000402 0.003387 0.000054 -0.000879 1Rh 2dxy 0.000291 0.004019 -0.001087 -0.000522 -0.000252 -0.001002 1Rh 3dz2 -0.018585 0.055921 -0.009270 0.029814 0.003014 0.011275 1Rh 3dxz 0.030993 -0.063804 -0.005536 -0.064552 -0.022206 0.012660 1Rh 3dyz 0.032278 0.031819 0.015193 -0.038946 -0.009738 0.039250 1Rh 3dx2y2 -0.011787 0.000953 0.012680 -0.064948 0.004199 -0.012749 1Rh 3dxy -0.001777 -0.100355 0.053147 0.046396 0.018524 -0.016379 1Rh 4dz2 0.013373 -0.053970 0.011745 -0.028496 -0.014034 -0.020904 1Rh 4dxz -0.018696 0.027234 0.004253 0.034634 0.015006 0.000122 1Rh 4dyz -0.022184 -0.018927 -0.004533 0.033431 -0.013783 -0.071384 1Rh 4dx2y2 0.008770 0.029868 -0.010231 0.072051 -0.003117 -0.003197 1Rh 4dxy 0.004031 0.089442 -0.030926 -0.022374 -0.012053 -0.005977 1Rh 5dz2 -0.012479 0.037603 -0.027237 0.026897 0.031103 0.052858 1Rh 5dxz -0.047791 0.104577 0.001919 0.107891 0.010290 -0.023598 1Rh 5dyz -0.071714 0.012892 -0.077280 -0.003098 0.062183 0.122085 1Rh 5dx2y2 0.011341 -0.106071 -0.010962 -0.101124 0.009193 0.021721 1Rh 5dxy -0.012628 0.014700 -0.087571 -0.087914 -0.027185 0.063695 1Rh 1f0 0.000227 -0.013598 -0.019090 0.004954 0.004026 0.002414 1Rh 1f+1 -0.023421 -0.017471 -0.011667 -0.000401 -0.005446 0.005562 1Rh 1f-1 -0.016502 -0.036581 -0.010599 -0.007170 -0.006782 -0.023630 1Rh 1f+2 0.020728 0.018556 0.000747 0.019588 0.024961 0.003745 1Rh 1f-2 0.003710 -0.020972 -0.030725 0.012185 0.023151 -0.000553 1Rh 1f+3 -0.029477 0.001564 0.025015 -0.009998 -0.011848 -0.006763 1Rh 1f-3 0.005574 -0.006865 -0.021525 0.009930 0.010442 0.006135 2C 1s -0.003137 -0.029885 -0.002325 -0.009504 0.005318 -0.015430 2C 2s -0.006952 -0.084895 -0.006848 -0.027348 0.015670 -0.037660 2C 3s -0.160184 0.294434 0.117933 0.104826 0.041621 -0.653718 2C 4s 0.950602 0.237799 -0.536691 0.071688 -0.381708 4.013967 2C 5s -1.034292 -1.415433 -0.265134 -0.380434 0.066906 -1.620116 2C 1pz -0.015729 0.054492 0.018137 0.023687 0.026173 -0.221010 2C 1px -0.026409 -0.040032 -0.033248 0.002920 -0.018319 0.013417 2C 1py -0.086076 0.012848 0.030162 0.010631 0.000752 -0.158540 2C 2pz 0.231147 -1.808155 -0.488912 -0.399903 0.000180 1.265837 2C 2px 0.079109 -0.098831 0.102782 -0.056956 0.047836 -0.280142 2C 2py 0.228267 -1.012342 -0.320090 -0.426043 0.201573 0.994401 2C 3pz -0.222659 -0.201330 -0.040113 -0.033401 -0.133874 -0.138399 2C 3px -0.023129 0.064618 -0.064904 0.024702 -0.033348 -0.274428 2C 3py -0.073694 -0.123174 -0.103260 -0.053346 0.075034 -0.006336 2C 1dz2 0.082448 0.027965 -0.061569 -0.024490 0.019658 -0.179430 2C 1dxz -0.069432 -0.006412 0.073598 -0.007917 -0.073871 0.057024 2C 1dyz -0.067605 -0.120594 0.041557 -0.013041 -0.023393 0.069455 2C 1dx2y2 -0.045275 -0.080525 0.046385 -0.046789 -0.180503 0.370984 2C 1dxy 0.111243 -0.014210 -0.027662 -0.039624 -0.103750 0.231437 2C 2dz2 -0.040172 -0.571238 -0.142126 -0.089467 -0.024425 0.333172 2C 2dxz 0.169218 -0.239087 -0.067840 -0.128503 0.262921 0.249128 2C 2dyz 0.109190 -0.511671 -0.202315 -0.170034 0.055435 0.121045 2C 2dx2y2 0.056562 0.513611 0.019447 0.129581 0.102230 -0.704966 2C 2dxy -0.121190 -0.155161 0.141668 0.036562 -0.098333 -0.186452 2C 1f0 0.015079 0.046256 -0.039152 0.013400 0.091211 -0.030067 2C 1f+1 -0.063566 -0.103066 0.010634 -0.033767 0.140859 0.061917 2C 1f-1 -0.063822 -0.167161 -0.012076 -0.046022 -0.033425 -0.023571 2C 1f+2 -0.041519 -0.018251 0.029478 -0.017486 0.097888 0.016250 2C 1f-2 0.108083 -0.044312 -0.037187 0.006892 0.023222 0.192639 2C 1f+3 0.071371 -0.180636 -0.069119 -0.029696 0.012784 -0.036002 2C 1f-3 0.014113 -0.012609 -0.026748 0.005520 0.011314 -0.126790 3C 1s -0.000499 0.009509 0.009557 -0.032286 0.007241 0.011090 3C 2s -0.001123 0.027394 0.024193 -0.090358 0.018686 0.033226 3C 3s -0.048058 -0.113172 0.211580 0.064599 0.401204 -0.167016 3C 4s 0.281639 -0.004792 -1.565994 1.513227 -2.471714 0.222505 3C 5s -0.384751 0.237897 1.242984 -1.135178 0.699157 0.076390 3C 1pz 0.012763 -0.010100 0.071409 -0.028976 0.107282 -0.029167 3C 1px -0.014691 0.008333 0.075823 -0.046852 0.007882 -0.016450 3C 1py 0.015188 0.025803 -0.052725 0.021217 -0.094069 0.038552 3C 2pz 0.033919 0.376576 -0.291002 -0.490054 -0.960637 0.502570 3C 2px 0.170442 0.082334 -0.092101 -0.236872 -0.203146 0.245158 3C 2py -0.035808 -0.499823 0.189627 1.200033 0.973809 -0.663378 3C 3pz 0.018746 0.007209 0.070111 -0.063858 -0.227434 0.031608 3C 3px -0.134171 -0.082034 -0.013496 0.069889 0.048470 0.065113 3C 3py 0.047316 -0.056437 -0.237402 0.066248 -0.058291 0.133651 3C 1dz2 -0.004369 -0.052763 0.101288 -0.080264 0.179454 0.073451 3C 1dxz -0.074905 -0.047468 -0.077740 0.034635 0.141019 0.080801 3C 1dyz 0.000323 -0.022993 -0.003084 0.079807 0.003028 -0.034711 3C 1dx2y2 0.080424 0.006665 0.004117 0.020512 -0.205476 -0.061157 3C 1dxy -0.149708 -0.033816 -0.139064 0.099371 0.122281 0.101396 3C 2dz2 -0.023724 -0.016711 -0.136836 0.233641 -0.213443 0.013329 3C 2dxz 0.157467 0.233114 0.078040 -0.418517 -0.337585 -0.031973 3C 2dyz 0.030826 -0.095159 -0.062926 0.358065 0.283954 -0.127825 3C 2dx2y2 -0.012685 -0.185643 0.076668 0.337773 0.472632 -0.256016 3C 2dxy 0.006055 -0.064051 0.205267 0.130775 0.108267 -0.268313 3C 1f0 0.025572 -0.045660 0.014041 0.163376 0.067899 -0.037859 3C 1f+1 -0.064702 -0.017168 -0.062198 0.046452 0.071273 -0.002862 3C 1f-1 -0.005305 -0.035292 -0.108277 0.070188 -0.075575 0.082694 3C 1f+2 -0.035961 0.027625 -0.043664 -0.061336 0.071669 0.051956 3C 1f-2 0.040487 -0.040000 0.092322 0.024539 0.024858 -0.000142 3C 1f+3 0.047564 0.049440 0.066292 -0.160303 -0.054324 0.060591 3C 1f-3 0.011044 0.031305 -0.063756 0.041383 0.002679 -0.073617 4C 1s -0.003028 -0.006720 -0.000872 -0.000037 -0.003778 -0.005119 4C 2s -0.011818 -0.020546 -0.002429 -0.000046 -0.009227 -0.023013 4C 3s 0.277478 -0.282491 -0.137175 -0.095638 -0.528226 1.057385 4C 4s -1.072580 2.134505 0.751568 0.541118 2.526223 -4.328950 4C 5s 0.375999 1.468006 0.070843 0.329017 1.741882 -0.667864 4C 1pz -0.029033 -0.047260 0.028994 -0.014750 -0.032500 -0.155783 4C 1px -0.017924 0.112317 -0.028975 0.025074 -0.005550 -0.086427 4C 1py -0.030750 0.013707 0.016181 -0.013453 -0.007879 -0.111654 4C 2pz 0.202099 -0.818981 -0.515885 -0.217548 0.685075 1.096050 4C 2px 0.233752 -0.569721 0.488715 -0.272923 0.344344 0.498064 4C 2py 0.203148 -0.688625 -0.145821 -0.187211 0.572110 0.814249 4C 3pz -0.572274 -0.087216 -0.351401 -0.038557 0.804327 -0.837319 4C 3px -0.180307 0.078636 0.247011 -0.020908 0.203286 -1.005683 4C 3py -0.468204 0.068872 -0.054381 -0.056221 0.144890 -1.150328 4C 1dz2 0.063876 -0.217859 -0.018511 -0.039938 -0.044396 -0.014222 4C 1dxz -0.277212 0.059538 0.104629 -0.031914 -0.036933 -0.288142 4C 1dyz -0.161942 -0.369080 -0.013231 -0.119444 0.016481 -0.010182 4C 1dx2y2 -0.273017 -0.016338 0.136457 -0.049594 -0.296130 0.115496 4C 1dxy 0.356555 -0.030445 -0.247830 0.085599 -0.107687 -0.021825 4C 2dz2 -0.257052 0.457269 -0.046028 0.154697 -0.097352 -0.486304 4C 2dxz 0.403524 -0.157188 0.267298 -0.039990 -0.192484 0.595171 4C 2dyz 0.035275 0.755759 0.156359 0.209538 0.074270 -0.588103 4C 2dx2y2 0.264966 -0.009801 -0.151854 0.068323 0.797260 -0.270577 4C 2dxy -0.357507 0.195249 0.539532 -0.157179 0.580774 -0.039197 4C 1f0 -0.149156 -0.050668 0.053182 -0.050821 -0.015426 0.057097 4C 1f+1 0.114469 -0.108377 -0.073845 -0.012628 -0.175044 0.261971 4C 1f-1 0.050944 0.008142 -0.065057 0.028552 -0.000003 -0.094900 4C 1f+2 0.043682 0.109557 0.003943 0.018610 0.132659 -0.084282 4C 1f-2 -0.103079 -0.066176 0.048046 -0.019429 0.016165 0.090287 4C 1f+3 -0.177489 0.020736 0.086587 -0.028387 -0.051666 0.032408 4C 1f-3 -0.002478 -0.086768 -0.008693 0.001328 -0.164551 0.072373 5C 1s 0.000620 0.000924 0.005095 -0.006338 -0.003275 -0.005314 5C 2s 0.001276 0.002489 0.019114 -0.021774 -0.005728 -0.015847 5C 3s 0.109156 0.088608 -0.326791 0.117116 -0.830101 -0.026054 5C 4s -0.595002 -0.594329 1.075071 0.298121 4.042752 0.285545 5C 5s 0.068161 -0.322776 -0.431477 0.675510 1.578102 0.926076 5C 1pz 0.007453 0.006453 0.042175 -0.053846 0.028041 0.000706 5C 1px -0.048494 -0.000974 0.031294 0.045105 0.076535 -0.006914 5C 1py 0.004456 0.000754 -0.062142 0.068982 -0.099938 0.010736 5C 2pz -0.200156 0.101794 -0.246298 -0.171232 -0.343218 0.570955 5C 2px 0.612066 0.297637 -0.243693 -0.607947 -0.178090 0.158279 5C 2py 0.126571 -0.299078 0.425178 0.454339 0.661487 -0.856246 5C 3pz -0.238997 0.084907 0.377172 0.053585 0.804220 0.050038 5C 3px 0.219872 0.059546 0.526537 -0.098355 0.667824 -0.138739 5C 3py 0.203179 0.143775 -0.609110 0.072218 -0.653027 -0.400305 5C 1dz2 0.095346 0.001589 0.107931 0.001146 0.124687 0.124811 5C 1dxz -0.237397 -0.095083 -0.372027 0.055673 0.066784 0.167602 5C 1dyz -0.028634 -0.093140 -0.006499 0.309715 0.184885 -0.090286 5C 1dx2y2 -0.036957 -0.105291 -0.114665 0.231666 -0.137668 -0.023472 5C 1dxy -0.094634 -0.027872 -0.363922 0.137919 -0.031397 -0.006005 5C 2dz2 -0.199046 0.036823 -0.186340 0.035834 -0.537041 -0.255034 5C 2dxz 0.478606 0.087848 0.396120 0.017304 -0.203115 -0.452291 5C 2dyz 0.265801 0.237624 -0.171394 -0.522844 -0.755739 0.065859 5C 2dx2y2 0.224314 0.223935 -0.058974 -0.353861 0.218328 0.284864 5C 2dxy -0.217105 -0.064366 0.372281 0.006570 -0.175882 0.261142 5C 1f0 -0.057242 0.009827 -0.151806 -0.006463 -0.019891 0.027197 5C 1f+1 0.064528 0.005937 0.107880 -0.058793 -0.106541 -0.095681 5C 1f-1 0.079472 0.017737 0.093138 -0.051578 -0.083743 0.002055 5C 1f+2 0.069918 0.036494 0.039679 0.026200 -0.037905 -0.045392 5C 1f-2 -0.074095 -0.067100 -0.097580 0.094428 0.140980 0.092026 5C 1f+3 -0.043804 -0.008681 -0.136493 0.033568 -0.218055 -0.045080 5C 1f-3 -0.040675 -0.013885 -0.040773 -0.003901 0.195153 0.081121 6C 1s 0.000920 -0.000561 0.004614 0.006477 0.002599 -0.001638 6C 2s 0.002183 -0.001299 0.017465 0.022343 0.003466 -0.007410 6C 3s 0.120260 -0.082546 -0.322186 -0.132954 0.877226 0.556000 6C 4s -0.696551 0.521198 1.104277 -0.239663 -4.224976 -2.417319 6C 5s 0.003967 0.306119 -0.365678 -0.694465 -1.549246 -0.694947 6C 1pz -0.009379 0.001890 -0.037919 -0.054484 0.027441 -0.004345 6C 1px 0.048763 0.005938 -0.033487 0.043605 0.077445 0.025417 6C 1py -0.003834 0.004580 0.055249 0.069759 -0.098195 0.017114 6C 2pz 0.175523 0.153367 0.238454 -0.176175 -0.391007 0.025636 6C 2px -0.683875 0.186831 0.262337 -0.586751 -0.172842 -0.008537 6C 2py -0.056738 -0.343256 -0.417923 0.455387 0.728849 0.001569 6C 3pz 0.229322 0.106397 -0.386617 0.023816 0.816000 0.103372 6C 3px -0.226362 -0.010410 -0.516004 -0.115061 0.708209 0.362364 6C 3py -0.230880 0.130417 0.596990 0.103494 -0.686588 -0.647080 6C 1dz2 0.097155 0.024432 0.112984 0.003999 -0.125564 -0.140990 6C 1dxz -0.258477 0.023104 -0.376559 -0.075816 -0.059978 -0.141315 6C 1dyz -0.052300 0.084698 0.012750 -0.306367 -0.193712 -0.034434 6C 1dx2y2 -0.064325 0.086819 -0.108798 -0.238842 0.136482 -0.032465 6C 1dxy -0.101880 -0.014107 -0.357515 -0.156055 0.028068 0.001795 6C 2dz2 -0.197930 -0.085611 -0.191910 -0.041917 0.557778 0.506305 6C 2dxz 0.497102 0.030859 0.395776 -0.008179 0.173529 0.125647 6C 2dyz 0.321875 -0.189921 -0.201742 0.505922 0.779870 0.305317 6C 2dx2y2 0.279883 -0.177657 -0.057248 0.354885 -0.221363 -0.149219 6C 2dxy -0.235765 0.041842 0.374227 0.025424 0.207018 -0.074561 6C 1f0 0.054820 0.029979 0.154518 0.001913 -0.026734 -0.049255 6C 1f+1 -0.065565 -0.012817 -0.101268 -0.061412 -0.105263 -0.062369 6C 1f-1 -0.085846 -0.003602 -0.092422 -0.055081 -0.079547 0.036241 6C 1f+2 -0.075964 0.019498 -0.044133 0.023940 -0.038660 -0.057081 6C 1f-2 0.090248 -0.045001 0.093679 0.098702 0.137514 0.083277 6C 1f+3 0.047639 0.009907 0.139271 0.041992 -0.223340 -0.103734 6C 1f-3 0.042718 -0.003902 0.040611 -0.002323 0.191440 0.048470 7C 1s -0.004156 0.005847 -0.001279 0.000025 0.002980 -0.004166 7C 2s -0.015206 0.017298 -0.003695 0.000089 0.006196 -0.011935 7C 3s 0.228536 0.333383 -0.154828 0.080104 0.611221 -0.167152 7C 4s -0.697304 -2.297430 0.894592 -0.465957 -2.843456 0.987773 7C 5s 0.609622 -1.357411 0.167794 -0.327773 -1.733208 0.889606 7C 1pz 0.035468 -0.039726 -0.024700 -0.016860 -0.018675 -0.019790 7C 1px -0.005090 0.116699 0.019598 0.027452 0.001523 -0.001565 7C 1py 0.025799 0.020368 -0.016608 -0.014771 0.002419 -0.004370 7C 2pz -0.022332 -0.831365 0.589127 -0.185985 0.537303 -0.321195 7C 2px -0.131267 -0.647120 -0.424701 -0.306322 0.277992 -0.362597 7C 2py -0.058835 -0.728154 0.212294 -0.181124 0.461613 -0.340562 7C 3pz 0.581032 0.058047 0.353635 -0.034917 0.857160 -0.132189 7C 3px 0.146121 0.097749 -0.246391 -0.037024 0.300251 0.146986 7C 3py 0.445683 0.162521 0.059834 -0.071020 0.216613 -0.252992 7C 1dz2 0.023392 0.222987 -0.037215 0.038817 0.048076 0.105720 7C 1dxz -0.260447 -0.105154 0.111278 0.047244 0.018788 0.037617 7C 1dyz -0.223405 0.331379 -0.042172 0.123924 -0.009962 0.019363 7C 1dx2y2 -0.261853 -0.023751 0.141396 0.068663 0.309561 0.003000 7C 1dxy 0.337581 0.076744 -0.250022 -0.116517 0.086912 -0.202293 7C 2dz2 -0.168439 -0.506127 -0.001644 -0.156961 0.035001 -0.292844 7C 2dxz 0.383166 0.247776 0.250152 0.045833 0.235741 0.043843 7C 2dyz 0.170217 -0.738563 0.214352 -0.204247 -0.132834 0.077000 7C 2dx2y2 0.238720 0.048665 -0.162642 -0.085434 -0.793317 0.294189 7C 2dxy -0.307223 -0.212150 0.542264 0.211513 -0.555643 0.397147 7C 1f0 0.152928 -0.026426 -0.052087 -0.060069 -0.018367 0.029520 7C 1f+1 -0.095422 -0.124691 0.081731 -0.003796 -0.188096 0.114487 7C 1f-1 -0.048902 0.005145 0.063570 0.035453 0.016155 0.099812 7C 1f+2 -0.060063 0.100287 -0.010524 0.020345 0.139033 -0.012601 7C 1f-2 0.108845 -0.049618 -0.043706 -0.026341 0.004724 -0.031141 7C 1f+3 0.167315 0.045952 -0.089074 -0.041006 -0.056154 -0.008381 7C 1f-3 0.016287 -0.084062 0.012190 0.003110 -0.165776 0.090164 8C 1s 0.001968 -0.008616 0.007756 0.032493 -0.005993 0.002215 8C 2s 0.005938 -0.024958 0.019228 0.090844 -0.014869 0.007583 8C 3s -0.070521 0.113147 0.209038 -0.057433 -0.433849 -0.220384 8C 4s 0.247577 -0.044198 -1.447714 -1.555397 2.547385 0.830287 8C 5s -0.327889 -0.236096 1.155940 1.193949 -0.737233 -0.400535 8C 1pz -0.012211 -0.016938 -0.069811 -0.031615 0.113258 0.045102 8C 1px 0.012089 0.006109 -0.073399 -0.051442 0.008760 -0.010046 8C 1py -0.019735 0.025011 0.048805 0.021846 -0.103743 -0.071537 8C 2pz -0.112982 0.377711 0.298257 -0.482767 -1.019286 -0.262143 8C 2px -0.189912 0.053146 0.107283 -0.225924 -0.216148 0.131436 8C 2py 0.154526 -0.487767 -0.242151 1.198578 1.078567 0.616764 8C 3pz -0.021187 0.001866 -0.063522 -0.065038 -0.220555 0.066907 8C 3px 0.151761 -0.052464 0.012217 0.068110 0.052404 0.100567 8C 3py -0.038692 -0.051955 0.230579 0.081041 -0.073658 -0.003065 8C 1dz2 -0.012696 0.058557 0.095044 0.085829 -0.181537 -0.097444 8C 1dxz -0.084495 0.026451 -0.079016 -0.039596 -0.137869 -0.104570 8C 1dyz -0.006519 0.021778 0.000640 -0.080182 -0.007343 -0.005788 8C 1dx2y2 0.082056 0.008559 0.004496 -0.021565 0.206476 0.067538 8C 1dxy -0.157287 -0.005329 -0.131706 -0.102414 -0.119826 -0.101669 8C 2dz2 -0.031108 -0.001284 -0.121931 -0.237670 0.211575 -0.072289 8C 2dxz 0.212445 -0.189314 0.069107 0.426166 0.344412 0.326162 8C 2dyz 0.006983 0.093333 -0.041579 -0.360933 -0.310563 -0.175430 8C 2dx2y2 -0.054129 0.184300 0.087964 -0.338497 -0.503753 -0.110639 8C 2dxy -0.009381 0.078322 0.211024 -0.119808 -0.122191 0.152058 8C 1f0 -0.013488 -0.050391 -0.024067 0.161871 0.074273 0.039953 8C 1f+1 0.069805 0.000480 0.059644 0.045042 0.070710 -0.006988 8C 1f-1 0.011834 -0.026249 0.102989 0.074480 -0.075936 0.074583 8C 1f+2 0.028052 0.035994 0.044866 -0.059271 0.068791 0.002917 8C 1f-2 -0.031801 -0.051735 -0.091980 0.019762 0.028508 0.072725 8C 1f+3 -0.061390 0.034942 -0.060834 -0.165043 -0.056284 0.017015 8C 1f-3 -0.016663 0.032271 0.059268 0.042524 0.003104 -0.093252 9C 1s -0.008487 0.028351 -0.005046 0.009444 -0.005769 0.010997 9C 2s -0.022226 0.081000 -0.014607 0.027135 -0.016261 0.032702 9C 3s -0.102172 -0.322288 0.143210 -0.095069 -0.110437 -0.070042 9C 4s 0.961757 -0.021209 -0.504649 -0.120522 0.733047 -0.395865 9C 5s -1.261697 1.151219 -0.376158 0.394755 -0.192398 0.063886 9C 1pz 0.005275 0.058976 -0.022147 0.023272 0.051354 0.040994 9C 1px 0.031523 -0.031788 0.036301 0.004764 -0.018983 0.002847 9C 1py 0.081733 0.029059 -0.032492 0.006243 0.013641 -0.010481 9C 2pz 0.111596 -1.803915 0.632638 -0.369229 -0.161084 -0.357363 9C 2px -0.063269 -0.118158 -0.093475 -0.058961 0.065588 -0.016080 9C 2py -0.032987 -1.040546 0.418089 -0.405179 0.099447 -0.046449 9C 3pz 0.249816 -0.153271 0.053917 -0.038168 -0.123034 0.042165 9C 3px 0.018326 0.076482 0.056291 0.029990 -0.007188 0.042006 9C 3py 0.094185 -0.096470 0.110700 -0.047483 0.083064 0.129472 9C 1dz2 0.083350 -0.017996 -0.062311 0.018183 -0.037044 0.009895 9C 1dxz -0.064143 -0.002857 0.072355 0.014596 0.078068 0.012363 9C 1dyz -0.086487 0.108660 0.033775 0.017591 0.033902 0.046818 9C 1dx2y2 -0.054391 0.077318 0.039271 0.050539 0.209438 -0.018660 9C 1dxy 0.108093 0.038011 -0.032537 0.034419 0.120744 -0.079677 9C 2dz2 -0.144306 0.544777 -0.184392 0.081441 0.071039 0.090573 9C 2dxz 0.115943 0.269493 -0.095431 0.120630 -0.235638 0.032830 9C 2dyz 0.011299 0.517179 -0.249946 0.156172 -0.044886 -0.046315 9C 2dx2y2 0.148896 -0.501764 0.058089 -0.132788 -0.181646 -0.161266 9C 2dxy -0.142161 0.126158 0.138427 -0.023077 0.093425 0.196476 9C 1f0 -0.022825 0.047601 0.034791 0.018553 0.098844 0.077325 9C 1f+1 0.082936 -0.088607 -0.003494 -0.037924 0.129618 -0.053498 9C 1f-1 0.091950 -0.152378 0.025675 -0.046942 -0.027911 0.038803 9C 1f+2 0.045526 -0.013695 -0.028003 -0.021227 0.097808 0.003839 9C 1f-2 -0.094103 -0.064403 0.039654 0.010275 0.007652 -0.017567 9C 1f+3 -0.036298 -0.182824 0.084129 -0.023203 0.012612 -0.036048 9C 1f-3 -0.009205 -0.017645 0.030867 0.006862 0.021963 -0.012409 10H 1s -0.005330 -0.035110 -0.010547 -0.004053 -0.016343 0.181199 10H 2s -0.119762 -1.200383 -0.091574 -0.333799 0.251542 -0.109278 10H 3s 0.084148 0.279959 0.019968 0.080186 -0.043997 0.358699 10H 1pz -0.093276 -0.381849 -0.022807 -0.090927 0.051992 -0.023391 10H 1px 0.019208 0.394207 0.019085 0.124851 -0.105179 0.246261 10H 1py 0.064164 -0.140795 -0.081306 -0.027305 0.084763 0.015152 11H 1s -0.054651 0.066772 0.060587 0.009668 -0.078875 0.019429 11H 2s -0.230080 -0.869243 -0.005810 -0.107214 0.029924 -1.173753 11H 3s 0.089907 0.324068 0.023193 0.078189 -0.091804 0.222954 11H 1pz -0.090078 -0.287033 0.015918 -0.037062 -0.063701 -0.435438 11H 1px 0.008166 -0.254951 -0.051800 -0.041735 0.036495 -0.340429 11H 1py 0.028350 0.306290 0.024529 0.084383 -0.076090 -0.004436 12H 1s 0.125019 0.105834 -0.040125 0.026152 0.040155 0.051483 12H 2s -0.182558 -0.713442 -0.121082 -0.345216 0.365637 -0.940407 12H 3s 0.139024 0.310344 0.003388 0.088999 -0.041773 0.219466 12H 1pz -0.012965 0.201457 0.032352 0.036467 0.040713 -0.080728 12H 1px -0.076972 -0.113677 0.002901 -0.053722 0.041173 -0.281107 12H 1py -0.132483 -0.389684 -0.022623 -0.161387 0.144319 -0.362504 13H 1s 0.023320 0.025546 -0.005523 0.011302 -0.095171 -0.012910 13H 2s 0.023368 0.437904 0.261968 -1.215275 -0.013419 0.351628 13H 3s 0.077337 -0.060513 -0.129234 0.295664 -0.187141 -0.088904 13H 1pz -0.046458 0.112902 0.019617 -0.369667 0.033683 0.165245 13H 1px -0.019862 -0.115340 -0.127022 0.367110 -0.117258 -0.084316 13H 1py -0.001910 -0.108332 -0.098340 0.288687 0.035022 -0.048571 14H 1s -0.034005 -0.058023 -0.141815 0.144680 -0.037968 0.029139 14H 2s -0.036180 0.199007 0.379784 -0.832723 0.290696 0.433800 14H 3s 0.020396 -0.101810 -0.202416 0.316357 -0.138704 -0.059811 14H 1pz 0.033450 0.068647 0.139239 -0.268485 0.023327 0.102157 14H 1px -0.005943 0.092110 0.218630 -0.404885 0.157296 0.143480 14H 1py -0.020565 0.084821 -0.014577 -0.148305 -0.009440 0.029414 15H 1s 0.023265 0.002470 0.023564 0.056226 0.025721 -0.061418 15H 2s -0.078889 0.147407 0.572214 -1.167856 0.530445 0.159699 15H 3s 0.045335 -0.043187 -0.160832 0.353056 -0.102280 -0.119690 15H 1pz 0.021754 -0.077468 -0.076368 0.360605 -0.022735 -0.148200 15H 1px -0.065634 -0.024033 -0.009962 -0.036948 0.104889 0.022972 15H 1py 0.024224 -0.084780 -0.245996 0.463268 -0.234052 -0.002978 16H 1s -0.015297 0.001714 -0.003889 -0.018066 0.002178 -0.036721 16H 2s -0.170967 0.087826 0.057431 0.265705 0.003006 -0.247135 16H 3s 0.000368 -0.037433 -0.033412 -0.039501 -0.007425 -0.052789 16H 1pz -0.063978 0.046777 0.033111 0.112782 0.008782 -0.128829 16H 1px 0.000376 -0.008471 -0.010152 -0.000141 -0.006076 -0.043715 16H 1py -0.025061 -0.011059 0.017206 0.011684 0.013791 -0.002538 17H 1s 0.013788 0.007637 0.004617 0.011898 -0.004523 -0.008854 17H 2s -0.061847 0.270178 0.086892 0.257176 -0.056047 -0.491120 17H 3s 0.059558 -0.052682 -0.015223 -0.027413 -0.023375 0.049120 17H 1pz 0.033074 -0.075698 -0.019603 -0.089510 0.015764 0.178949 17H 1px 0.024243 -0.089183 -0.029544 -0.054202 0.024281 0.116850 17H 1py -0.006154 0.050416 0.026470 0.040670 -0.021029 -0.079888 18H 1s 0.015244 -0.005231 0.006314 -0.011581 0.003788 0.005836 18H 2s -0.021933 -0.275115 0.123862 -0.253745 -0.006705 -0.251243 18H 3s 0.050533 0.063744 -0.020227 0.025777 0.029193 0.024227 18H 1pz -0.021034 -0.082940 0.032318 -0.090229 -0.007907 -0.089711 18H 1px -0.010148 -0.089788 0.039224 -0.051894 0.011168 -0.046810 18H 1py -0.001458 0.047083 -0.031558 0.036228 -0.013519 0.013920 19H 1s -0.014273 -0.004941 -0.005394 0.018120 -0.005619 -0.001022 19H 2s -0.159248 -0.120414 0.079944 -0.261405 -0.051414 -0.290926 19H 3s -0.003100 0.034446 -0.040029 0.036725 0.004182 0.006884 19H 1pz 0.056848 0.058443 -0.043055 0.110325 0.031784 0.123896 19H 1px 0.000540 -0.007537 0.010510 0.000640 -0.001003 0.004705 19H 1py 0.029086 -0.005516 -0.017211 0.012407 0.015861 0.021720 20H 1s 0.023253 0.004349 0.029235 -0.053514 -0.026305 0.056608 20H 2s -0.025617 -0.118738 0.494200 1.185641 -0.508992 0.055931 20H 3s 0.029061 0.040491 -0.137249 -0.357869 0.094168 0.033333 20H 1pz 0.001089 -0.073985 0.055292 0.362540 -0.008414 0.003956 20H 1px 0.069605 -0.009884 0.014147 -0.039125 0.104108 0.026372 20H 1py 0.000948 -0.070003 0.214604 0.469509 -0.228572 0.051062 21H 1s -0.049137 0.040280 -0.136798 -0.152307 0.038059 -0.055421 21H 2s 0.017004 -0.176139 0.329419 0.839794 -0.272887 -0.351378 21H 3s -0.003910 0.089721 -0.182694 -0.324075 0.135706 0.033537 21H 1pz -0.051702 0.052186 -0.124338 -0.274135 0.021341 0.084401 21H 1px -0.019281 0.075394 -0.194077 -0.409195 0.148990 0.095956 21H 1py 0.001156 0.086299 0.019286 -0.150113 -0.020096 -0.123304 22H 1s 0.027779 -0.020906 -0.002872 -0.009926 0.095494 0.043873 22H 2s 0.132977 -0.401465 0.205952 1.223100 0.050070 0.183653 22H 3s 0.061046 0.064797 -0.111474 -0.300769 0.181934 0.034445 22H 1pz 0.017903 0.116033 0.000747 -0.365540 0.020233 0.007236 22H 1px 0.049500 -0.098821 0.107874 0.371454 -0.108080 0.026226 22H 1py 0.030229 -0.098739 0.087681 0.296827 0.040713 0.075861 23H 1s 0.139285 -0.081905 -0.033208 -0.033798 -0.043695 -0.085889 23H 2s -0.308344 0.648946 -0.197143 0.340389 -0.438206 0.090703 23H 3s 0.190718 -0.275821 0.032180 -0.094198 0.053502 -0.104631 23H 1pz -0.025211 0.199583 -0.048766 0.036174 0.057813 0.121715 23H 1px 0.094609 -0.088709 0.006661 -0.053588 0.061554 -0.023342 23H 1py 0.199810 -0.353192 0.060901 -0.163527 0.170363 -0.071988 24H 1s -0.041414 -0.071053 0.068393 -0.003102 0.083584 0.027186 24H 2s -0.379617 0.790372 -0.072713 0.111380 -0.107455 0.313220 24H 3s 0.145051 -0.294594 0.049816 -0.080120 0.101413 -0.103423 24H 1pz 0.136087 -0.257522 0.007016 -0.039212 -0.033030 -0.102091 24H 1px 0.041829 -0.247290 0.073706 -0.037957 0.063260 -0.059697 24H 1py -0.082136 0.290442 -0.050460 0.083706 -0.066954 0.094791 25H 1s -0.009575 0.035485 -0.013226 0.004362 0.034198 0.018180 25H 2s -0.339778 1.143275 -0.197369 0.334216 -0.229886 0.402791 25H 3s 0.136952 -0.251318 0.043712 -0.080526 0.070841 -0.065122 25H 1pz 0.162794 -0.355633 0.053717 -0.095102 0.042765 -0.146112 25H 1px -0.091018 0.377248 -0.056371 0.123694 -0.117774 0.132608 25H 1py -0.035534 -0.140348 0.094237 -0.018608 0.082175 0.001358 26O 1s -0.003520 0.002814 0.001284 0.001171 0.004307 0.002871 26O 2s -0.013216 0.009696 0.003553 0.004225 0.015650 0.006253 26O 3s 0.110314 -0.050854 0.010806 -0.036042 -0.027430 -0.025308 26O 4s -0.346276 0.143822 -0.251292 0.128129 -0.458665 -0.290798 26O 5s 0.739342 -0.388796 -0.223237 0.068970 -1.742953 1.990408 26O 1pz -0.112986 -0.001291 0.052582 -0.042049 -0.026673 -0.137322 26O 1px -0.013850 -0.015850 -0.035467 0.021378 -0.215482 -0.003443 26O 1py 0.076171 0.039243 -0.062373 0.018638 0.000214 -0.059250 26O 2pz 0.108183 -0.006325 -0.082457 0.058995 0.124134 0.181979 26O 2px -0.006114 0.105287 0.234382 -0.075614 0.819987 -0.042014 26O 2py -0.041917 -0.051127 0.110494 -0.023892 0.226483 0.040232 26O 3pz -0.143076 0.228665 0.261328 -0.029761 -0.065860 -0.657085 26O 3px -0.070218 0.105083 0.406513 -0.071023 0.458924 -0.800521 26O 3py 0.463378 0.137800 -0.010160 0.155353 0.395241 -0.616151 26O 1dz2 -0.001932 -0.004513 0.006126 -0.005210 0.002152 0.000908 26O 1dxz 0.001381 -0.001149 0.001100 -0.001604 -0.001283 0.006801 26O 1dyz 0.006672 -0.008035 -0.000730 0.000451 -0.003204 0.012227 26O 1dx2y2 -0.004342 -0.001111 -0.000565 0.000896 -0.012116 0.003764 26O 1dxy 0.000426 -0.001322 0.000954 -0.001092 -0.011785 0.007445 26O 2dz2 -0.004053 -0.001137 0.079630 -0.029779 0.015051 -0.007326 26O 2dxz 0.043516 -0.056795 0.029352 -0.012227 0.011828 0.099962 26O 2dyz 0.085011 -0.087068 0.019521 -0.015612 0.006668 0.163374 26O 2dx2y2 0.026498 -0.084963 -0.070355 0.023065 -0.137733 0.020952 26O 2dxy -0.045453 -0.066193 0.019793 -0.037280 -0.083850 0.170298 26O 1f0 0.019919 0.008990 -0.006074 0.007043 -0.003618 0.022174 26O 1f+1 -0.006277 -0.009343 0.002823 -0.004039 -0.016522 0.005872 26O 1f-1 -0.023209 0.008262 0.010118 -0.002001 -0.012175 0.002651 26O 1f+2 -0.036307 -0.013724 0.008638 -0.006749 0.004547 -0.032105 26O 1f-2 -0.013982 -0.005164 0.006843 -0.006128 0.012025 -0.009880 26O 1f+3 0.052124 -0.003750 -0.037524 0.011101 0.017750 -0.010836 26O 1f-3 -0.017204 -0.002109 0.005337 -0.004261 -0.024446 0.009667 27O 1s -0.000651 0.008775 0.000992 0.000793 -0.001125 -0.004772 27O 2s -0.004059 0.030567 0.004655 0.002021 -0.001739 -0.016726 27O 3s 0.059928 -0.208945 -0.056792 -0.023703 0.068363 0.165084 27O 4s -0.347408 0.206732 0.295874 0.215205 -0.331759 -0.523615 27O 5s 0.171288 -0.186381 -0.800157 0.367757 -1.821763 -0.244360 27O 1pz -0.041313 -0.065315 -0.038610 0.041697 0.023149 0.066122 27O 1px -0.016524 -0.110617 -0.016505 0.097754 -0.151020 -0.043437 27O 1py -0.050134 0.016662 -0.137590 0.057080 -0.052882 0.007071 27O 2pz -0.009785 0.097023 -0.010290 -0.072248 -0.033125 -0.074547 27O 2px 0.122757 0.239689 -0.014197 -0.255934 0.638818 0.258054 27O 2py 0.062424 -0.044344 0.157638 -0.062698 -0.000951 -0.047249 27O 3pz -0.175830 -0.210519 -0.366816 0.084712 -0.047260 0.219540 27O 3px 0.273410 -0.263055 -0.083915 -0.024690 0.635658 0.227786 27O 3py -0.266720 0.056799 -0.232276 -0.066121 -0.398290 -0.038412 27O 1dz2 -0.004665 -0.000402 -0.004437 -0.001597 0.008803 0.003261 27O 1dxz -0.000515 -0.000624 -0.003780 0.000999 0.001917 0.003231 27O 1dyz -0.003068 -0.000313 0.004000 0.003721 0.008919 -0.000330 27O 1dx2y2 -0.001936 -0.006905 -0.000532 0.008909 -0.009123 -0.006580 27O 1dxy -0.001382 0.001549 0.004253 -0.001774 0.008664 0.000838 27O 2dz2 -0.037224 -0.038139 -0.040175 0.041998 0.090722 0.047000 27O 2dxz 0.077353 0.013839 0.026576 0.023121 -0.011246 -0.003272 27O 2dyz -0.055566 -0.016389 0.047379 0.019387 0.089634 -0.005084 27O 2dx2y2 -0.037775 -0.035734 0.015453 0.031415 -0.113266 -0.043123 27O 2dxy -0.019447 -0.031974 0.073291 0.078554 0.073494 -0.030670 27O 1f0 0.021244 0.007311 0.026623 -0.004821 -0.002460 -0.012773 27O 1f+1 0.000590 -0.001852 0.001900 0.006042 -0.017740 -0.005703 27O 1f-1 0.006233 0.000844 0.013762 -0.012125 0.005195 0.003852 27O 1f+2 -0.025628 -0.005603 -0.035743 -0.007089 0.001578 0.020096 27O 1f-2 0.003480 0.006686 0.029057 -0.011949 0.006988 -0.005353 27O 1f+3 0.011993 0.008351 0.034710 -0.014742 -0.005338 -0.010451 27O 1f-3 0.006011 0.007839 0.032476 -0.023277 0.021932 0.013765 28O 1s -0.005656 -0.022248 -0.004780 -0.005494 -0.006256 0.018206 28O 2s -0.019815 -0.076039 -0.014797 -0.018954 -0.022111 0.061058 28O 3s 0.132010 0.583685 0.077422 0.147364 0.223075 -0.501746 28O 4s -0.143516 -1.211902 0.082954 -0.323697 -0.650376 1.352019 28O 5s 0.518401 0.164046 0.276682 -0.053909 -1.186610 0.446566 28O 1pz 0.111836 0.025824 -0.053432 0.031187 0.057028 0.178527 28O 1px 0.012832 -0.043281 -0.051247 0.000097 0.108169 -0.058599 28O 1py -0.049807 -0.066620 0.046754 -0.013722 0.025042 0.120599 28O 2pz -0.202409 0.097516 0.016437 0.003815 0.138278 -0.602664 28O 2px 0.066802 -0.160977 0.164029 -0.069250 -0.444029 0.461740 28O 2py -0.012954 0.109650 -0.040856 0.002467 0.036258 -0.270783 28O 3pz 0.229231 0.144716 -0.474569 0.090298 0.417588 0.524990 28O 3px 0.412761 -0.151291 0.251031 -0.073219 -0.482488 0.247472 28O 3py -0.228455 -0.085841 0.120070 -0.020187 0.261821 0.496661 28O 1dz2 0.004201 -0.003365 -0.003529 -0.002354 -0.002591 0.002997 28O 1dxz -0.000629 -0.001797 -0.001750 -0.000261 0.003641 -0.011176 28O 1dyz 0.000399 -0.006677 -0.001491 -0.002010 -0.002337 0.003421 28O 1dx2y2 0.004991 0.002465 -0.002858 0.002021 -0.004437 0.002276 28O 1dxy 0.000499 0.000160 -0.000661 -0.001006 0.002275 -0.006326 28O 2dz2 -0.014729 -0.028078 -0.034861 -0.028568 0.066824 -0.133836 28O 2dxz 0.025771 -0.045317 -0.063206 -0.002940 0.053513 0.047467 28O 2dyz 0.035734 -0.071638 -0.062523 -0.012924 -0.017622 -0.035482 28O 2dx2y2 0.080501 0.044467 0.011161 0.017673 -0.140964 0.048924 28O 2dxy -0.049686 -0.020924 0.027657 -0.015418 0.013239 0.051681 28O 1f0 0.035034 -0.017882 -0.017047 0.002839 0.004763 0.003231 28O 1f+1 -0.025627 0.009062 0.011782 -0.001106 -0.021822 0.011189 28O 1f-1 -0.012995 -0.003698 0.001140 -0.001686 0.015267 -0.008164 28O 1f+2 0.004590 0.021890 -0.002727 0.008453 0.008285 -0.014075 28O 1f-2 0.036037 0.015765 -0.015282 0.013083 -0.016924 0.002029 28O 1f+3 0.008493 0.027048 -0.006756 0.007945 -0.001575 -0.009852 28O 1f-3 0.023264 0.011150 -0.015540 0.009185 -0.011733 0.011251 29O 1s -0.010362 0.010258 0.009978 0.009968 -0.003811 -0.023785 29O 2s -0.035084 0.034687 0.033820 0.032847 -0.012787 -0.079370 29O 3s 0.226161 -0.219193 -0.219977 -0.188869 0.082746 0.492466 29O 4s -0.340459 0.372733 0.317618 0.263711 -0.107709 -0.712669 29O 5s 0.468961 -0.757582 -0.339391 -0.670291 0.088177 1.186158 29O 1pz 0.010763 -0.014118 -0.030195 -0.024205 0.018535 0.055617 29O 1px -0.058609 0.006914 0.056422 0.044155 -0.028374 -0.173800 29O 1py 0.039492 -0.078675 -0.031687 -0.031281 0.001980 0.049542 29O 2pz -0.041231 0.002678 0.069614 0.083371 0.003003 -0.084374 29O 2px 0.139855 -0.100388 -0.127107 -0.153467 0.064849 0.443489 29O 2py -0.115532 0.208986 0.100299 0.142036 -0.015410 -0.227081 29O 3pz -0.143453 -0.169443 -0.140907 -0.092208 -0.029406 0.155251 29O 3px -0.220730 0.188538 0.120926 0.123376 -0.022526 -0.257875 29O 3py 0.048335 -0.012178 -0.111223 0.123526 0.001939 -0.146587 29O 1dz2 -0.004605 0.000650 -0.000812 0.002405 -0.000247 -0.001228 29O 1dxz 0.003568 0.004946 0.004618 0.003258 0.002388 -0.005725 29O 1dyz 0.003949 -0.001588 -0.000433 0.000719 0.002536 0.003157 29O 1dx2y2 0.004905 -0.004019 -0.002589 -0.003236 0.000387 0.003463 29O 1dxy -0.001763 -0.001367 0.005979 -0.000463 0.000690 0.001479 29O 2dz2 0.010353 0.000955 -0.024122 -0.012066 -0.009785 0.024799 29O 2dxz 0.017425 -0.012191 0.005687 -0.009933 0.030299 0.019737 29O 2dyz 0.052647 0.022385 0.001615 -0.008004 -0.004189 0.008821 29O 2dx2y2 0.017069 -0.021716 -0.012316 -0.010374 0.001966 -0.001443 29O 2dxy -0.027768 0.051763 0.051694 0.056161 -0.014905 -0.125876 29O 1f0 -0.001197 0.004429 0.002162 0.005430 -0.001467 -0.006318 29O 1f+1 -0.000580 -0.001874 -0.001959 -0.002039 -0.000764 0.003386 29O 1f-1 -0.001301 0.000936 0.001227 0.006337 0.000448 -0.001314 29O 1f+2 0.003656 0.000496 -0.000031 0.000929 0.001431 0.000136 29O 1f-2 -0.002674 0.001452 -0.001549 0.000780 -0.001065 -0.005213 29O 1f+3 -0.001098 0.001316 -0.001736 0.003058 0.000536 -0.000841 29O 1f-3 0.003505 -0.000672 -0.003309 -0.000275 -0.000037 0.000256 30O 1s -0.003760 -0.003764 0.003853 -0.009868 -0.018718 0.005644 30O 2s -0.011978 -0.013597 0.014085 -0.034307 -0.063511 0.018693 30O 3s 0.042447 0.081890 -0.107039 0.272387 0.516054 -0.079729 30O 4s 0.217566 -0.006726 0.179524 -0.617980 -1.181440 -0.184821 30O 5s 0.591881 0.248499 -0.349694 0.181113 -0.604251 -0.819798 30O 1pz 0.064714 0.067997 0.040899 -0.079566 -0.076060 -0.074639 30O 1px -0.072754 -0.010639 -0.009362 -0.055641 0.042162 0.133071 30O 1py 0.021765 -0.055496 0.142575 -0.065586 0.002421 -0.009509 30O 2pz -0.167798 -0.157526 0.030583 0.169988 0.337756 0.250623 30O 2px 0.307069 0.112374 0.033716 -0.057698 -0.328479 -0.398566 30O 2py 0.078243 0.140530 -0.212519 0.063289 -0.208392 -0.131166 30O 3pz -0.002255 0.028653 0.283496 -0.175522 0.033356 0.245326 30O 3px 0.335680 -0.042425 -0.201568 -0.048274 -0.405648 -0.201617 30O 3py 0.401338 -0.151531 0.445334 -0.114667 -0.286927 -0.335529 30O 1dz2 0.003138 -0.000497 0.003758 -0.001065 -0.001534 0.000924 30O 1dxz -0.000022 -0.002728 0.003737 -0.002738 0.002095 0.007151 30O 1dyz -0.001782 -0.004207 0.001786 0.003802 0.007386 -0.000068 30O 1dx2y2 0.003079 -0.003312 0.002010 0.002553 0.000825 -0.001717 30O 1dxy 0.004376 0.001117 -0.001655 0.004083 -0.003312 -0.002289 30O 2dz2 -0.029301 0.007492 -0.027698 0.008787 0.032445 0.039699 30O 2dxz -0.005789 -0.016068 0.075759 -0.064212 0.016649 0.088489 30O 2dyz 0.024609 -0.014847 0.012286 0.050325 0.007426 -0.050882 30O 2dx2y2 0.103428 -0.004865 0.001513 0.058355 -0.107634 -0.110130 30O 2dxy 0.084043 -0.016630 0.068207 0.017871 -0.006904 -0.070614 30O 1f0 0.014574 0.006900 0.015170 -0.015053 -0.018465 -0.009119 30O 1f+1 -0.022375 -0.005819 -0.037402 0.022331 -0.006881 -0.006356 30O 1f-1 -0.018094 -0.010529 -0.037175 0.015125 -0.004047 -0.003332 30O 1f+2 0.002385 -0.006788 0.003715 0.023712 -0.002161 -0.009623 30O 1f-2 -0.000904 0.001718 0.007199 -0.005705 0.016636 0.011012 30O 1f+3 0.008162 -0.005112 0.018393 0.019506 -0.006134 -0.007744 30O 1f-3 -0.003162 -0.009179 -0.003183 0.018824 0.002864 -0.009498 31O 1s -0.004246 0.003075 0.003016 0.010205 0.019543 0.005143 31O 2s -0.013762 0.011435 0.011101 0.035416 0.066241 0.016795 31O 3s 0.051261 -0.075283 -0.082760 -0.278331 -0.532617 -0.148942 31O 4s 0.235489 0.052838 0.125851 0.614952 1.186637 0.415169 31O 5s 0.623550 -0.133141 -0.352156 -0.212680 0.616385 0.890135 31O 1pz -0.082516 0.050746 -0.041813 -0.081915 -0.071895 -0.092865 31O 1px 0.072593 0.004088 0.010117 -0.057861 0.030508 0.011114 31O 1py -0.012503 -0.067265 -0.135662 -0.071598 0.002843 0.004829 31O 2pz 0.207151 -0.121490 -0.034146 0.165233 0.332925 0.342643 31O 2px -0.329449 0.048284 -0.023733 -0.047854 -0.302968 -0.175693 31O 2py -0.104153 0.134571 0.206313 0.076720 -0.207109 -0.143300 31O 3pz -0.017365 0.006987 -0.285482 -0.196970 0.022478 0.064069 31O 3px -0.323869 -0.096152 0.213894 -0.027290 -0.411168 -0.266336 31O 3py -0.368582 -0.245046 -0.420075 -0.120935 -0.248493 0.153035 31O 1dz2 0.003079 0.001309 0.003719 0.001221 0.001718 0.001935 31O 1dxz -0.000460 0.002906 0.003520 0.002894 -0.001338 -0.000655 31O 1dyz -0.002737 0.003800 0.001812 -0.003813 -0.007908 -0.007249 31O 1dx2y2 0.002448 0.003945 0.002010 -0.002533 -0.001370 -0.003544 31O 1dxy 0.004536 -0.000402 -0.001328 -0.004192 0.003157 0.002223 31O 2dz2 -0.027958 -0.014096 -0.024887 -0.007950 -0.027988 0.039572 31O 2dxz -0.006444 0.019295 0.073228 0.069086 -0.013447 -0.065140 31O 2dyz 0.021354 0.018358 0.014422 -0.050850 -0.016159 -0.035640 31O 2dx2y2 0.101343 0.023867 0.002850 -0.061279 0.099209 0.040924 31O 2dxy 0.080464 0.035809 0.066903 -0.018184 -0.002003 -0.046893 31O 1f0 -0.016275 0.002879 -0.014444 -0.015551 -0.018378 -0.010763 31O 1f+1 0.024060 0.001094 0.036618 0.023934 -0.006801 -0.002996 31O 1f-1 0.020674 -0.004318 0.037463 0.017216 -0.004223 -0.002463 31O 1f+2 -0.000367 -0.007220 -0.004686 0.023607 -0.002018 -0.002920 31O 1f-2 0.000369 0.001298 -0.007343 -0.006270 0.016401 0.008560 31O 1f+3 -0.006775 -0.007671 -0.019583 0.018376 -0.005814 -0.003172 31O 1f-3 0.005397 -0.008012 0.002348 0.018915 0.004177 0.006721 32O 1s -0.008803 -0.011800 0.011276 -0.009158 0.000317 -0.015449 32O 2s -0.029775 -0.039896 0.038151 -0.030083 0.001112 -0.051657 32O 3s 0.191816 0.252721 -0.246042 0.170515 -0.010165 0.320453 32O 4s -0.277423 -0.423094 0.358651 -0.236102 0.003376 -0.450484 32O 5s 0.338080 0.827598 -0.434677 0.642718 0.082850 0.740034 32O 1pz -0.009364 -0.013247 0.031982 -0.021313 0.009170 -0.045860 32O 1px 0.060685 0.018711 -0.059954 0.040371 -0.002971 0.105519 32O 1py -0.025177 -0.083380 0.039702 -0.028390 -0.006680 -0.044192 32O 2pz 0.042443 0.003902 -0.072156 0.074930 0.023964 0.132877 32O 2px -0.129804 -0.126109 0.144957 -0.145586 0.002776 -0.249558 32O 2py 0.080652 0.221952 -0.124708 0.134060 0.019557 0.157705 32O 3pz 0.166806 -0.131272 0.159749 -0.088803 -0.049287 -0.073394 32O 3px 0.186509 0.224537 -0.141296 0.109206 0.015437 0.158732 32O 3py -0.040872 -0.011729 0.103660 0.135170 0.026730 0.131425 32O 1dz2 -0.004557 -0.001654 -0.000571 -0.002369 -0.000111 -0.002464 32O 1dxz 0.004241 -0.003921 0.005143 -0.003084 -0.003085 -0.001951 32O 1dyz 0.003509 0.002227 -0.000427 -0.000921 -0.002574 -0.002788 32O 1dx2y2 0.004172 0.004743 -0.003099 0.002904 0.000082 0.001999 32O 1dxy -0.002008 0.001389 0.005827 0.000935 -0.000412 0.001623 32O 2dz2 0.009739 0.000721 -0.024186 0.010047 0.012864 0.025899 32O 2dxz 0.015144 0.017042 0.003480 0.010492 -0.029582 0.001790 32O 2dyz 0.056248 -0.010893 0.002654 0.007573 0.007892 0.022521 32O 2dx2y2 0.012215 0.025077 -0.015064 0.009034 -0.003693 -0.012650 32O 2dxy -0.020443 -0.053089 0.058668 -0.052290 -0.001237 -0.051287 32O 1f0 0.000470 0.004415 -0.002696 0.004926 -0.000631 0.004616 32O 1f+1 0.000731 -0.001827 0.002233 -0.002119 -0.001317 -0.003493 32O 1f-1 0.001217 0.001426 -0.001862 0.006608 0.000879 0.004001 32O 1f+2 -0.003810 -0.000280 -0.000034 0.000817 0.001300 -0.001401 32O 1f-2 0.002396 0.001892 0.001441 0.000727 -0.000308 0.003944 32O 1f+3 0.000964 0.001763 0.001378 0.003210 0.000707 0.001243 32O 1f-3 -0.003381 -0.000958 0.003295 0.000112 0.000013 -0.000085 33O 1s -0.009836 0.020436 -0.006534 0.005318 0.007434 -0.006956 33O 2s -0.034066 0.069819 -0.020809 0.018454 0.025961 -0.024531 33O 3s 0.239064 -0.542328 0.123090 -0.145483 -0.253605 0.198403 33O 4s -0.354070 1.168840 -0.010063 0.335179 0.735913 -0.379781 33O 5s 0.585486 -0.031432 0.290222 0.051745 1.204623 -0.056555 33O 1pz -0.113258 0.004799 0.051383 0.035500 0.038890 -0.044544 33O 1px 0.003185 -0.040534 0.056444 0.003780 0.110707 -0.013954 33O 1py 0.059615 -0.058202 -0.045461 -0.019924 0.004566 -0.105996 33O 2pz 0.187011 0.139719 -0.022412 0.001565 0.187320 0.020099 33O 2px -0.059079 -0.185336 -0.154962 -0.078693 -0.473344 0.059649 33O 2py -0.005136 0.110330 0.039777 0.006836 0.073170 0.149380 33O 3pz -0.244460 0.123689 0.466926 0.120648 0.324600 -0.597723 33O 3px -0.379334 -0.243357 -0.233925 -0.076232 -0.472997 0.304437 33O 3py 0.233969 -0.052456 -0.122449 -0.039111 0.192107 -0.317762 33O 1dz2 0.003628 0.003956 -0.004027 0.002014 0.002827 0.000589 33O 1dxz -0.001248 0.001377 -0.002059 0.000122 -0.004822 -0.001885 33O 1dyz -0.000646 0.006570 -0.002000 0.001893 0.002694 0.001171 33O 1dx2y2 0.005390 -0.001650 -0.002552 -0.002257 0.004333 -0.001979 33O 1dxy 0.000489 -0.000166 -0.000662 0.000890 -0.002980 -0.002607 33O 2dz2 -0.020263 0.021908 -0.039523 0.026189 -0.077108 0.025568 33O 2dxz 0.013994 0.045492 -0.067883 -0.001077 -0.044554 0.051048 33O 2dyz 0.021177 0.072086 -0.068565 0.007418 0.018053 0.042316 33O 2dx2y2 0.089578 -0.027337 0.015328 -0.019578 0.138342 -0.072113 33O 2dxy -0.050705 0.014419 0.027082 0.018882 -0.010069 -0.024179 33O 1f0 -0.030559 -0.022798 0.018902 0.005193 0.004805 -0.000053 33O 1f+1 0.022904 0.012815 -0.013361 -0.002610 -0.022849 0.005868 33O 1f-1 0.013552 -0.001321 -0.000883 -0.002234 0.014760 -0.012219 33O 1f+2 -0.008295 0.020997 0.000990 0.008964 0.009658 0.002999 33O 1f-2 -0.037602 0.009913 0.013869 0.015396 -0.014928 0.019881 33O 1f+3 -0.013013 0.025436 0.004670 0.008909 -0.000277 0.006872 33O 1f-3 -0.024512 0.007470 0.014451 0.010922 -0.011722 0.007447 34O 1s 0.001200 -0.008674 0.001552 -0.000740 0.000775 0.001195 34O 2s 0.002402 -0.030474 0.006568 -0.001738 0.000509 0.004021 34O 3s 0.016789 0.213389 -0.068901 0.020455 -0.060037 -0.067053 34O 4s -0.313525 -0.256129 0.309921 -0.197973 0.317430 0.239065 34O 5s 0.117613 0.173966 -0.805525 -0.418373 1.916335 1.187224 34O 1pz 0.055588 -0.051812 0.041915 0.044589 0.024817 0.124857 34O 1px 0.042990 -0.101672 0.019648 0.099435 -0.150209 -0.004042 34O 1py 0.046697 0.034765 0.133138 0.063748 -0.054219 -0.002765 34O 2pz -0.010978 0.094586 0.006400 -0.074006 -0.040730 -0.227003 34O 2px -0.184143 0.206545 0.003460 -0.258184 0.649274 0.241061 34O 2py -0.052022 -0.065734 -0.148270 -0.068572 -0.004501 -0.078916 34O 3pz 0.218043 -0.147708 0.378571 0.108664 -0.063486 0.141805 34O 3px -0.217814 -0.298041 0.097483 -0.003660 0.657572 0.525656 34O 3py 0.248115 0.121815 0.235887 -0.060887 -0.395586 -0.121952 34O 1dz2 -0.004570 -0.000805 -0.004449 0.001376 -0.009248 -0.008904 34O 1dxz -0.000578 0.000280 -0.003707 -0.001194 -0.001648 -0.001421 34O 1dyz -0.003176 -0.000025 0.004378 -0.003320 -0.009191 -0.001834 34O 1dx2y2 -0.003626 0.006176 -0.000573 -0.008943 0.008651 -0.000380 34O 1dxy -0.000969 -0.001532 0.004339 0.002102 -0.008791 -0.001186 34O 2dz2 -0.044892 0.026745 -0.038652 -0.044217 -0.095098 -0.110384 34O 2dxz 0.080200 0.002960 0.029951 -0.022791 0.008580 -0.043846 34O 2dyz -0.059220 0.007977 0.048937 -0.014985 -0.093292 -0.026263 34O 2dx2y2 -0.046194 0.027872 0.014656 -0.028998 0.111174 0.013683 34O 2dxy -0.028184 0.030812 0.077828 -0.072570 -0.082988 -0.083828 34O 1f0 -0.022899 0.001254 -0.027029 -0.006306 -0.002163 -0.014308 34O 1f+1 -0.000096 -0.002019 -0.001985 0.005966 -0.018204 -0.008700 34O 1f-1 -0.006741 -0.001263 -0.013200 -0.012732 0.005245 0.005327 34O 1f+2 0.026718 0.001743 0.036923 -0.005161 0.000355 0.012386 34O 1f-2 -0.005253 0.003915 -0.028971 -0.013718 0.007322 -0.003065 34O 1f+3 -0.013823 0.003574 -0.034167 -0.016397 -0.005865 -0.015976 34O 1f-3 -0.008160 0.004319 -0.032062 -0.025280 0.021406 0.006630 35O 1s -0.002712 -0.003214 0.001448 -0.000980 -0.003520 0.004624 35O 2s -0.010413 -0.011396 0.004119 -0.003593 -0.013281 0.016222 35O 3s 0.092357 0.069681 0.006541 0.034116 0.016986 -0.055359 35O 4s -0.296504 -0.226931 -0.229973 -0.141532 0.419342 -0.290684 35O 5s 0.648277 0.507375 -0.215809 -0.111581 1.836174 -0.950616 35O 1pz 0.106690 0.017194 -0.050020 -0.047965 -0.020273 -0.046572 35O 1px 0.017499 -0.009334 0.030772 0.024117 -0.205802 0.143040 35O 1py -0.079386 0.027408 0.060554 0.027403 0.017669 0.142255 35O 2pz -0.095895 -0.023055 0.078784 0.065118 0.114085 0.044546 35O 2px -0.012044 0.083373 -0.223817 -0.096754 0.785086 -0.550732 35O 2py 0.050699 -0.047257 -0.104275 -0.037038 0.193425 -0.364568 35O 3pz 0.098462 0.234422 -0.275431 -0.049243 -0.009084 0.032723 35O 3px 0.057297 0.090225 -0.402185 -0.101941 0.512589 -0.149780 35O 3py -0.466279 0.056291 -0.001702 0.177689 0.470951 0.232719 35O 1dz2 -0.002547 0.004433 0.005462 0.005769 -0.001357 0.008788 35O 1dxz 0.001097 0.001471 0.000976 0.001634 0.002014 0.001467 35O 1dyz 0.004944 0.009222 -0.001205 -0.000706 0.004059 -0.002911 35O 1dx2y2 -0.004374 0.000144 -0.000441 -0.000864 0.011969 -0.006693 35O 1dxy 0.000202 0.001537 0.000971 0.001059 0.012069 -0.006762 35O 2dz2 -0.002986 0.005316 0.076946 0.035382 -0.009749 0.067436 35O 2dxz 0.033029 0.064213 0.023541 0.012322 0.001543 0.053245 35O 2dyz 0.067125 0.104138 0.012426 0.014444 0.007140 -0.007349 35O 2dx2y2 0.010237 0.080175 -0.072899 -0.029675 0.136016 -0.047085 35O 2dxy -0.055352 0.060993 0.014598 0.041320 0.095911 -0.027472 35O 1f0 -0.021264 0.005351 0.005236 0.008140 -0.004222 0.011652 35O 1f+1 0.007462 -0.008139 -0.002188 -0.004314 -0.017226 0.001457 35O 1f-1 0.020536 0.011704 -0.011013 -0.003408 -0.012792 -0.001180 35O 1f+2 0.037904 -0.006974 -0.007875 -0.008549 0.005726 -0.013620 35O 1f-2 0.014838 -0.003047 -0.006239 -0.007149 0.011910 -0.007607 35O 1f+3 -0.049194 -0.010493 0.038360 0.015659 0.020865 0.020154 35O 1f-3 0.016408 0.000663 -0.005570 -0.005123 -0.024789 0.008950 492 493 494 495 496 497 3.05195 3.06190 3.07512 3.08744 3.09271 3.09751 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s -0.001802 -0.001036 -0.001247 -0.000237 -0.000034 0.001773 0Rh 2s 0.010364 0.008519 0.009884 0.004310 -0.000075 -0.008992 0Rh 3s -0.004399 -0.000973 -0.001410 0.001209 -0.000247 0.005061 0Rh 4s -0.054898 -0.045030 -0.053027 -0.022665 0.000227 0.047798 0Rh 5s 0.093400 0.090522 0.115174 0.053811 0.000431 -0.074880 0Rh 6s 0.010017 -0.059747 -0.119946 -0.067832 -0.005835 -0.041885 0Rh 7s -0.570659 0.022269 -0.353030 0.213622 -0.142877 0.597131 0Rh 8s 0.079248 -0.060776 -0.464388 -0.116181 -0.185396 -0.222538 0Rh 1pz -0.001646 0.000198 -0.004126 0.001426 -0.000948 -0.005431 0Rh 1px -0.004433 -0.000791 0.008806 0.002350 0.002696 0.004239 0Rh 1py -0.003061 0.003798 0.001925 0.001566 0.000367 0.005324 0Rh 2pz 0.006466 -0.000625 0.015064 -0.005561 0.003596 0.020822 0Rh 2px 0.016583 0.003281 -0.032845 -0.008621 -0.010000 -0.015570 0Rh 2py 0.011902 -0.014457 -0.007346 -0.006360 -0.001987 -0.020597 0Rh 3pz -0.018267 -0.002195 -0.016272 0.013554 -0.006988 -0.045028 0Rh 3px -0.026721 -0.012490 0.050013 0.009964 0.013937 0.018028 0Rh 3py -0.029845 0.030083 0.015226 0.021633 0.016139 0.047942 0Rh 4pz 0.036135 0.019246 -0.052635 -0.013152 0.002279 0.033059 0Rh 4px -0.018962 0.029859 0.054068 0.028553 0.022688 0.054232 0Rh 4py 0.040953 -0.023837 -0.009109 -0.047630 -0.054004 -0.044611 0Rh 5pz -0.093619 -0.052556 0.149695 0.018465 0.002074 -0.044702 0Rh 5px 0.084801 -0.054621 -0.213818 -0.083209 -0.080544 -0.175417 0Rh 5py -0.085038 0.051231 0.014313 0.094887 0.103227 0.056881 0Rh 6pz -0.589220 -0.454470 -1.093293 -0.220539 -0.122243 -0.575088 0Rh 6px -0.584852 -0.439942 1.750873 0.037341 0.729977 0.380228 0Rh 6py 0.217568 1.326510 0.002184 0.625394 -0.550999 0.402778 0Rh 1dz2 -0.002456 0.002386 0.000699 -0.016132 0.009320 0.014963 0Rh 1dxz -0.006100 0.002822 0.013770 -0.005233 0.011925 0.006846 0Rh 1dyz -0.006287 -0.011156 0.008143 0.018699 0.000640 -0.001285 0Rh 1dx2y2 0.007122 -0.000304 -0.016532 -0.021675 -0.005767 -0.010440 0Rh 1dxy 0.007250 0.007828 -0.018495 0.003235 0.005998 -0.003756 0Rh 2dz2 -0.000837 0.001109 0.002280 -0.003091 -0.000400 0.000965 0Rh 2dxz 0.000325 0.000238 0.003591 -0.002026 0.001539 0.000330 0Rh 2dyz -0.003904 -0.000318 0.003596 0.002177 -0.005795 -0.000125 0Rh 2dx2y2 -0.000741 -0.000206 -0.005145 -0.002549 -0.002192 0.001017 0Rh 2dxy -0.000863 0.001841 -0.003160 0.000209 -0.001608 -0.000829 0Rh 3dz2 0.011740 -0.012567 -0.012731 0.065094 -0.027492 -0.051579 0Rh 3dxz 0.017694 -0.009869 -0.059907 0.025598 -0.044767 -0.023263 0Rh 3dyz 0.037699 0.036008 -0.041998 -0.068345 0.024455 0.004793 0Rh 3dx2y2 -0.019085 0.001540 0.075729 0.079927 0.028231 0.028592 0Rh 3dxy -0.018735 -0.032942 0.072406 -0.010946 -0.011490 0.015603 0Rh 4dz2 -0.019824 0.020394 0.037879 -0.068606 0.007376 0.033922 0Rh 4dxz -0.004421 0.005867 0.076737 -0.033682 0.040174 0.017065 0Rh 4dyz -0.068616 -0.011181 0.063180 0.047012 -0.081929 -0.006399 0Rh 4dx2y2 0.001488 0.001430 -0.104604 -0.067208 -0.041723 -0.004481 0Rh 4dxy -0.003239 0.037508 -0.070328 0.003195 -0.016090 -0.017250 0Rh 5dz2 0.049048 -0.061010 -0.092532 0.070207 -0.008960 0.054234 0Rh 5dxz -0.021625 0.027665 -0.125176 0.019655 0.010417 -0.002035 0Rh 5dyz 0.120344 -0.153396 -0.038075 0.174020 0.048272 0.047057 0Rh 5dx2y2 0.023899 -0.039794 0.193263 0.017011 0.044081 -0.043641 0Rh 5dxy 0.062758 -0.060170 0.045943 0.070733 0.035189 0.017511 0Rh 1f0 -0.002706 -0.031531 0.004458 -0.003760 0.019112 -0.001580 0Rh 1f+1 -0.003137 -0.002299 -0.006998 -0.008411 -0.011233 -0.004394 0Rh 1f-1 0.030736 -0.023726 -0.015416 0.005570 0.020387 0.003732 0Rh 1f+2 -0.006937 -0.017330 -0.032746 0.001889 -0.009630 -0.039591 0Rh 1f-2 0.002480 -0.008219 -0.011759 -0.025193 -0.001190 -0.015962 0Rh 1f+3 0.009304 0.012554 -0.017781 -0.004721 -0.016796 -0.000697 0Rh 1f-3 -0.005291 -0.007644 -0.015166 0.016247 0.016245 -0.001378 1Rh 1s -0.001287 -0.001031 0.001243 -0.000210 0.000053 0.001752 1Rh 2s 0.004805 0.008437 -0.009723 0.004041 -0.000694 -0.008908 1Rh 3s -0.004716 -0.000995 0.001483 0.001206 -0.000102 0.004989 1Rh 4s -0.025457 -0.044599 0.052192 -0.021232 0.003814 0.047335 1Rh 5s 0.027969 0.089482 -0.113176 0.050544 -0.010752 -0.074034 1Rh 6s 0.078123 -0.058387 0.117649 -0.064014 0.021537 -0.042385 1Rh 7s -0.525142 0.023403 0.354119 0.226007 0.080471 0.591297 1Rh 8s 0.243362 -0.058928 0.461990 -0.096047 0.212609 -0.231442 1Rh 1pz 0.000832 -0.000213 -0.003776 -0.001546 -0.000841 0.005472 1Rh 1px 0.005742 0.000843 0.008856 -0.002005 0.003235 -0.004381 1Rh 1py 0.002316 -0.003830 0.001730 -0.001543 0.000833 -0.005271 1Rh 2pz -0.003307 0.000681 0.013733 0.006019 0.003171 -0.020937 1Rh 2px -0.021622 -0.003479 -0.033043 0.007344 -0.011972 0.016103 1Rh 2py -0.008617 0.014566 -0.006591 0.006181 -0.003808 0.020381 1Rh 3pz 0.011053 0.002075 -0.013530 -0.014524 -0.005861 0.044390 1Rh 3px 0.037716 0.012837 0.050620 -0.008219 0.016085 -0.018914 1Rh 3py 0.014027 -0.029986 0.013498 -0.019428 0.020852 -0.047225 1Rh 4pz -0.031571 -0.019138 -0.054368 0.013886 0.001023 -0.029241 1Rh 4px 0.012643 -0.029713 0.052765 -0.025426 0.029810 -0.054616 1Rh 4py 0.002356 0.022577 -0.007420 0.039518 -0.060784 0.043275 1Rh 5pz 0.093743 0.052348 0.152174 -0.019211 0.003938 0.036865 1Rh 5px -0.089877 0.053499 -0.210736 0.071910 -0.101016 0.176481 1Rh 5py -0.002188 -0.048525 0.011446 -0.079269 0.115894 -0.055009 1Rh 6pz 0.721367 0.456043 -1.053648 0.202125 -0.189125 0.597352 1Rh 6px 0.788850 0.457837 1.762485 0.066587 0.737706 -0.364448 1Rh 6py 0.708837 -1.350728 -0.002087 -0.692817 -0.423701 -0.396921 1Rh 1dz2 -0.002819 0.001908 -0.000696 -0.017226 -0.007340 0.014149 1Rh 1dxz -0.019148 0.002332 -0.013834 -0.007101 -0.011175 0.006556 1Rh 1dyz 0.001807 -0.011678 -0.007823 0.018568 -0.002935 -0.001013 1Rh 1dx2y2 0.014590 -0.000233 0.016042 -0.020381 0.009536 -0.009405 1Rh 1dxy 0.005766 0.007806 0.018524 0.002176 -0.006169 -0.004202 1Rh 2dz2 0.002017 0.001047 -0.002333 -0.002948 0.000791 0.000957 1Rh 2dxz -0.001675 0.000216 -0.003638 -0.002186 -0.001209 0.000448 1Rh 2dyz 0.002860 -0.000382 -0.003552 0.003058 0.005408 0.000025 1Rh 2dx2y2 0.000192 -0.000246 0.005165 -0.002251 0.002548 0.000980 1Rh 2dxy 0.000693 0.001838 0.003148 0.000418 0.001548 -0.000920 1Rh 3dz2 -0.000284 -0.010789 0.012968 0.067872 0.019445 -0.048985 1Rh 3dxz 0.067553 -0.008235 0.060317 0.032233 0.040920 -0.022883 1Rh 3dyz -0.018708 0.037941 0.040810 -0.071966 -0.015503 0.003252 1Rh 3dx2y2 -0.046673 0.001504 -0.074272 0.074493 -0.041736 0.025507 1Rh 3dxy -0.021270 -0.032855 -0.072445 -0.008576 0.012280 0.017421 1Rh 4dz2 0.023441 0.018888 -0.038681 -0.068010 0.001188 0.032814 1Rh 4dxz -0.049126 0.004951 -0.077389 -0.038762 -0.034845 0.018405 1Rh 4dyz 0.043747 -0.012867 -0.062425 0.059590 0.074276 -0.003887 1Rh 4dx2y2 0.024770 0.000885 0.104065 -0.060899 0.052126 -0.003795 1Rh 4dxy 0.018505 0.037371 0.070130 0.004956 0.015485 -0.019138 1Rh 5dz2 -0.056651 -0.060565 0.094575 0.068885 -0.000322 0.049835 1Rh 5dxz -0.022981 0.024919 0.125465 0.014658 -0.013744 -0.010080 1Rh 5dyz -0.046366 -0.151112 0.042601 0.163439 -0.066063 0.046105 1Rh 5dx2y2 0.044730 -0.036482 -0.192965 0.014418 -0.042999 -0.032777 1Rh 5dxy 0.022990 -0.058895 -0.043698 0.065321 -0.041681 0.019876 1Rh 1f0 -0.001462 0.032338 0.005547 0.006493 0.017525 0.002360 1Rh 1f+1 -0.013313 0.001776 -0.007235 0.006670 -0.012650 0.003497 1Rh 1f-1 -0.054393 0.024476 -0.016702 -0.002577 0.019893 -0.003563 1Rh 1f+2 0.009542 0.017215 -0.030375 -0.003330 -0.010160 0.039738 1Rh 1f-2 -0.027731 0.008335 -0.010350 0.024576 -0.005151 0.016016 1Rh 1f+3 -0.012342 -0.013285 -0.019386 0.002495 -0.017268 -0.000352 1Rh 1f-3 -0.013459 0.008069 -0.015020 -0.014041 0.017610 0.001412 2C 1s 0.009198 0.008601 0.004882 -0.007738 0.005672 -0.013851 2C 2s 0.028352 0.023880 0.013165 -0.023322 0.013045 -0.039189 2C 3s -0.158099 0.076206 -0.026367 0.096702 0.093285 0.063210 2C 4s 0.113988 -0.892330 -0.079334 0.059008 -0.618424 0.560205 2C 5s -0.172143 0.120477 -0.800530 -0.376908 -0.374149 0.217379 2C 1pz -0.071773 0.025183 0.008964 0.060031 0.076963 -0.020189 2C 1px 0.001500 -0.029952 0.013237 0.020998 0.006861 0.010175 2C 1py -0.008816 0.043944 0.024494 -0.019110 0.033405 0.029143 2C 2pz 0.530568 -0.098712 0.319778 -0.563535 0.022872 -0.181878 2C 2px -0.022850 0.231049 -0.118098 -0.200913 0.182252 -0.217984 2C 2py 0.158015 -0.128878 0.003649 0.253041 0.132210 -0.420527 2C 3pz -0.058994 -0.004376 -0.028016 -0.072493 -0.065430 0.249297 2C 3px -0.078710 0.012329 -0.205984 -0.152257 -0.104316 0.018956 2C 3py -0.143589 -0.097156 -0.199130 0.161853 0.014387 -0.099104 2C 1dz2 -0.016751 -0.037646 -0.118779 0.102268 -0.047265 -0.215973 2C 1dxz 0.027185 0.039042 0.090453 0.034415 0.018145 0.052184 2C 1dyz 0.062091 0.052619 0.089122 -0.112773 0.010482 0.090966 2C 1dx2y2 0.041676 -0.095085 0.114179 0.252963 -0.054696 0.035446 2C 1dxy -0.043210 -0.117265 0.052958 0.298392 0.005436 -0.089039 2C 2dz2 0.141225 -0.001923 0.241648 -0.253317 0.107794 0.151413 2C 2dxz 0.042504 -0.039106 -0.100670 0.013460 -0.113099 -0.079629 2C 2dyz -0.035532 -0.019573 0.009561 0.113713 0.303633 -0.356162 2C 2dx2y2 -0.257887 0.151760 -0.164327 -0.133070 0.238894 -0.081866 2C 2dxy 0.187496 0.179715 0.019553 -0.463952 -0.123777 0.126974 2C 1f0 -0.088133 0.012660 0.011029 -0.009193 0.139559 0.025850 2C 1f+1 0.051132 0.027449 -0.033046 -0.084839 -0.034485 0.039647 2C 1f-1 -0.037343 0.026886 0.072256 0.051543 0.168251 -0.048407 2C 1f+2 -0.008461 0.039162 -0.001901 -0.052799 0.051356 0.017235 2C 1f-2 0.038844 -0.069620 -0.047887 -0.079240 -0.133297 0.051715 2C 1f+3 0.031747 -0.019083 0.024580 -0.028576 0.000362 -0.055693 2C 1f-3 -0.006584 0.014493 0.025372 -0.013138 0.028837 -0.028568 3C 1s 0.003145 -0.013269 0.009393 0.003438 -0.000790 -0.011010 3C 2s 0.010646 -0.033398 0.023773 0.011552 0.000312 -0.031508 3C 3s -0.279432 -0.357980 0.158060 -0.012839 -0.104774 0.020677 3C 4s 1.081064 2.526635 -1.374932 -0.192290 0.523978 0.842423 3C 5s -0.474913 -0.841039 0.251050 -0.125931 0.147780 1.049646 3C 1pz -0.059156 -0.107716 0.053334 0.047375 -0.025042 0.000433 3C 1px 0.008057 0.023300 -0.000817 0.015857 0.006243 -0.001943 3C 1py 0.085211 0.141290 -0.076534 0.053732 0.070062 -0.002064 3C 2pz 0.422051 0.721880 -0.339451 -0.492564 0.216582 0.161744 3C 2px -0.089319 -0.346283 0.049214 -0.266241 -0.304142 0.094012 3C 2py -0.797463 -0.638716 0.207873 -0.254264 -0.250037 0.029692 3C 3pz -0.047003 0.057197 0.032126 -0.297998 0.057239 0.098626 3C 3px -0.098495 -0.141000 -0.118678 -0.152570 -0.176771 0.485568 3C 3py 0.032266 0.038927 -0.075247 -0.076144 -0.040914 -0.207198 3C 1dz2 -0.105626 -0.137480 0.055043 0.452927 0.112563 0.036361 3C 1dxz -0.109793 -0.223116 0.064231 0.024961 -0.081877 0.112675 3C 1dyz -0.010740 -0.001835 0.005693 -0.065071 -0.013395 0.030298 3C 1dx2y2 0.076114 0.198841 0.018438 0.015952 0.140670 -0.250100 3C 1dxy -0.100692 -0.166268 -0.067706 -0.181436 -0.176946 0.389069 3C 2dz2 -0.054306 0.118546 -0.068638 -0.605769 -0.074293 0.047269 3C 2dxz 0.362614 0.710560 -0.331802 0.221872 0.378414 -0.081525 3C 2dyz -0.218315 0.111459 -0.163158 0.235367 0.208660 0.029219 3C 2dx2y2 -0.184738 -0.369135 0.057899 0.040917 -0.256810 0.144659 3C 2dxy 0.109789 0.183412 0.073205 0.279352 0.171796 -0.341930 3C 1f0 -0.051568 0.063773 -0.070675 0.070990 0.063427 0.040043 3C 1f+1 0.000524 -0.052695 0.022354 -0.024337 -0.022399 0.048181 3C 1f-1 -0.057943 0.096246 -0.067741 0.139236 0.134778 0.067542 3C 1f+2 -0.000530 0.062071 -0.080273 0.086141 0.087846 0.095017 3C 1f-2 -0.077897 -0.150516 0.139656 -0.005379 -0.023278 -0.147804 3C 1f+3 -0.003143 0.044934 -0.039989 0.058183 0.059616 0.076558 3C 1f-3 0.086569 0.146919 -0.118689 0.024183 0.017990 0.055954 4C 1s -0.004578 -0.003162 0.002082 0.006317 0.005620 0.002097 4C 2s -0.014319 -0.008235 0.006608 0.019935 0.018776 0.005914 4C 3s 0.011912 -0.099094 0.077085 -0.113473 0.067676 -0.156811 4C 4s 0.222893 0.517666 -0.693714 0.082829 -0.828159 0.687157 4C 5s 0.687824 0.495439 -0.318715 -0.507440 -0.489008 -0.242611 4C 1pz 0.005124 0.059290 -0.008900 -0.057406 0.012073 -0.053445 4C 1px -0.009585 0.015665 0.046237 -0.008078 0.086091 -0.023739 4C 1py -0.008057 0.039796 0.006411 -0.000384 0.056119 -0.060494 4C 2pz 0.400792 -0.280054 0.072235 -0.055998 -0.143857 0.021746 4C 2px 0.404999 0.171258 -0.160713 -0.094565 -0.571815 -0.009021 4C 2py 0.397164 -0.068015 -0.003177 -0.273917 -0.310321 0.149553 4C 3pz -0.059261 0.083532 -0.867993 -0.321975 -0.559999 0.199464 4C 3px -0.292379 0.334944 0.369682 0.293778 0.885737 -0.318586 4C 3py 0.080505 0.267033 -0.263286 -0.243688 -0.361166 0.190926 4C 1dz2 0.106818 0.014465 0.014539 0.002045 -0.078255 -0.046470 4C 1dxz 0.003250 0.085731 0.050203 0.109608 0.118558 -0.120103 4C 1dyz 0.021742 0.041712 0.053160 -0.043443 0.145674 -0.110639 4C 1dx2y2 0.038643 -0.018834 0.000631 0.125592 -0.016267 -0.087890 4C 1dxy -0.199209 -0.083296 0.110730 0.052450 0.239758 0.049787 4C 2dz2 -0.344807 0.019772 0.083236 0.034359 0.444316 0.093622 4C 2dxz 0.141174 -0.013000 -0.119743 -0.233846 -0.405893 0.156798 4C 2dyz -0.009339 0.005136 -0.125750 0.117335 -0.307880 0.142848 4C 2dx2y2 0.199225 0.076541 -0.052125 -0.463420 -0.274686 0.218453 4C 2dxy 0.348291 0.303244 -0.312533 -0.023579 -0.541789 -0.002761 4C 1f0 -0.021852 0.035279 -0.055213 0.091897 0.066843 -0.035164 4C 1f+1 -0.069400 -0.137338 0.057468 0.123288 0.074550 -0.018752 4C 1f-1 -0.115037 -0.035056 0.012840 0.037824 0.116597 -0.000997 4C 1f+2 -0.009053 0.015461 0.018189 0.005104 0.005820 -0.024533 4C 1f-2 0.043516 0.024604 0.042859 0.002854 0.009610 0.050351 4C 1f+3 0.015447 0.046503 0.070418 0.090923 0.027958 0.046697 4C 1f-3 -0.066561 -0.026821 0.077954 0.005450 0.104154 0.006646 5C 1s -0.002097 -0.003553 0.004479 -0.006712 -0.005439 -0.000830 5C 2s -0.009149 -0.014316 0.015881 -0.021254 -0.016554 -0.002628 5C 3s 0.628321 0.376479 -0.057963 -0.084752 -0.287044 -0.167399 5C 4s -2.751656 -1.419231 -0.069550 0.762671 1.649649 0.760281 5C 5s -0.701016 -0.022515 -0.480469 0.995940 1.380819 0.044592 5C 1pz 0.002377 -0.063292 0.016686 -0.012037 -0.019687 -0.036558 5C 1px -0.035003 -0.110761 0.143718 -0.029560 -0.083222 -0.002840 5C 1py -0.007067 0.135794 -0.063616 -0.035652 0.051327 0.067311 5C 2pz 0.077723 0.479668 -0.279134 0.080771 0.462758 0.285632 5C 2px 0.056547 0.656950 -0.696578 0.468842 0.649915 0.176933 5C 2py -0.175744 -0.944122 0.623830 0.138916 -0.752679 -0.535066 5C 3pz -0.169279 0.075179 -0.383533 0.421958 0.440868 0.837380 5C 3px -0.460337 -1.157367 0.992406 -0.303908 -0.154329 -0.398890 5C 3py 0.667147 0.260587 0.108787 -0.152160 -0.728585 -1.057018 5C 1dz2 -0.136478 0.046125 -0.127770 0.193205 0.178479 0.149887 5C 1dxz -0.127027 -0.184034 0.146534 0.105845 0.129365 -0.171629 5C 1dyz -0.063810 -0.016490 -0.030636 -0.050556 0.038004 0.024585 5C 1dx2y2 -0.027756 -0.047602 0.115281 -0.029828 -0.072296 -0.115446 5C 1dxy 0.007440 0.229865 -0.169843 0.206824 0.183449 0.015317 5C 2dz2 0.523335 0.048646 0.236741 -0.581186 -0.515688 -0.267210 5C 2dxz 0.083397 0.065258 -0.060802 -0.304850 -0.406142 -0.038754 5C 2dyz 0.385299 0.343740 -0.118159 0.179447 -0.135036 -0.030932 5C 2dx2y2 -0.120519 0.472482 -0.647759 0.298101 0.526709 0.551241 5C 2dxy -0.034669 -0.450755 0.389496 -0.578780 -0.360861 0.064758 5C 1f0 0.055438 0.037459 -0.034485 0.050415 -0.033803 -0.049670 5C 1f+1 0.057575 -0.036602 0.098531 0.001009 -0.082057 -0.114946 5C 1f-1 -0.028531 0.076036 -0.019267 -0.015467 0.043034 -0.017749 5C 1f+2 0.055705 0.125262 -0.019956 0.019286 0.076970 -0.085484 5C 1f-2 -0.084133 -0.146845 0.038016 -0.001831 0.057274 0.025157 5C 1f+3 0.116070 0.017300 0.121324 -0.159710 -0.066022 -0.090778 5C 1f-3 -0.054325 0.000467 -0.007213 0.195370 0.166227 -0.002436 6C 1s -0.005735 -0.003515 -0.004601 -0.005861 0.006369 -0.000468 6C 2s -0.017168 -0.014361 -0.016337 -0.018614 0.019575 -0.001511 6C 3s -0.010007 0.403016 0.059827 -0.045502 0.296618 -0.154160 6C 4s 0.244976 -1.534436 0.061308 0.527318 -1.749005 0.671459 6C 5s 0.950949 -0.066281 0.489645 0.785203 -1.508494 -0.029056 6C 1pz -0.002951 0.065120 0.018544 0.008578 -0.024474 0.035810 6C 1px 0.004543 0.109271 0.142866 0.015073 -0.088693 -0.002885 6C 1py -0.002315 -0.138260 -0.065829 0.043322 0.050829 -0.065999 6C 2pz -0.544674 -0.480726 -0.285494 -0.008523 0.485766 -0.261044 6C 2px -0.151207 -0.642003 -0.718694 -0.375051 0.721463 -0.164551 6C 2py 0.816676 0.945378 0.638124 -0.250372 -0.749441 0.501237 6C 3pz -0.093699 -0.055737 -0.388038 -0.348577 0.521007 -0.797005 6C 3px 0.142940 1.164827 1.005141 0.258289 -0.227201 0.371631 6C 3py 0.364528 -0.296800 0.106769 0.048070 -0.760017 1.031073 6C 1dz2 0.114542 0.039131 0.132464 0.164046 -0.208385 0.140255 6C 1dxz 0.154382 -0.189268 -0.147171 0.089640 -0.138676 -0.170057 6C 1dyz -0.083167 -0.014722 0.029005 -0.055909 -0.031954 0.017559 6C 1dx2y2 -0.037918 -0.042115 -0.117503 -0.018916 0.075997 -0.109118 6C 1dxy -0.005199 0.226998 0.174477 0.177322 -0.218542 0.009940 6C 2dz2 -0.225308 0.068431 -0.250827 -0.505442 0.602566 -0.251843 6C 2dxz -0.447324 0.083704 0.059894 -0.240617 0.444982 -0.018047 6C 2dyz 0.055975 0.353069 0.129856 0.197379 0.106314 -0.007754 6C 2dx2y2 0.285502 0.454380 0.669552 0.219881 -0.577946 0.534844 6C 2dxy 0.235134 -0.438462 -0.399170 -0.523861 0.450024 0.075224 6C 1f0 -0.034327 -0.038874 -0.036804 -0.054900 -0.025223 0.048771 6C 1f+1 0.096701 0.031447 0.101850 -0.012613 -0.083084 0.112263 6C 1f-1 0.007807 -0.075324 -0.017202 0.021004 0.040835 0.017625 6C 1f+2 0.040010 -0.127339 -0.017522 -0.007328 0.080602 0.091525 6C 1f-2 -0.089737 0.149638 0.034931 0.008491 0.054279 -0.023575 6C 1f+3 0.046461 -0.023857 0.123839 0.149497 -0.089218 0.085847 6C 1f-3 -0.087609 0.005659 -0.009691 -0.168925 0.192676 0.010904 7C 1s -0.006049 -0.003241 -0.001927 0.005464 -0.006366 0.002163 7C 2s -0.025654 -0.008458 -0.006190 0.017093 -0.021143 0.006078 7C 3s 1.000377 -0.107093 -0.082416 -0.120815 -0.040267 -0.144940 7C 4s -4.015233 0.562277 0.714560 0.199834 0.762799 0.625869 7C 5s -0.394314 0.507310 0.327246 -0.432026 0.540842 -0.292761 7C 1pz 0.154360 -0.060512 -0.006902 0.056699 0.003551 0.051637 7C 1px 0.083647 -0.014323 0.046681 0.019302 0.082246 0.021598 7C 1py 0.111058 -0.039599 0.007703 0.007009 0.054245 0.059829 7C 2pz -1.159013 0.288225 0.078799 0.071144 -0.155741 0.014927 7C 2px -0.560644 -0.180181 -0.173154 0.012408 -0.575947 0.002878 7C 2py -0.888546 0.069670 -0.003387 0.249143 -0.344795 -0.129672 7C 3pz 0.794001 -0.099557 -0.853803 0.260953 -0.586344 -0.155824 7C 3px 1.005258 -0.316537 0.378233 -0.175867 0.902141 0.320245 7C 3py 1.125838 -0.284695 -0.255545 0.198648 -0.381092 -0.182947 7C 1dz2 -0.010686 0.019081 -0.012616 0.010009 0.078033 -0.045582 7C 1dxz -0.284803 0.086647 -0.055256 0.091702 -0.129857 -0.121511 7C 1dyz -0.008181 0.038028 -0.057701 -0.063240 -0.134814 -0.110020 7C 1dx2y2 0.092953 -0.015733 -0.001574 0.129233 0.003608 -0.082235 7C 1dxy -0.056840 -0.090168 -0.110433 0.016811 -0.239383 0.052074 7C 2dz2 -0.506148 0.007658 -0.090172 -0.020855 -0.442172 0.091799 7C 2dxz 0.593857 -0.008231 0.133414 -0.162114 0.431788 0.178993 7C 2dyz -0.575291 0.018022 0.130620 0.162822 0.277206 0.139740 7C 2dx2y2 -0.181238 0.081084 0.050631 -0.431048 0.319342 0.201730 7C 2dxy 0.067823 0.313709 0.323088 0.055937 0.531268 -0.004155 7C 1f0 -0.050733 -0.035470 -0.056953 -0.080194 0.076847 0.037193 7C 1f+1 -0.232032 0.141536 0.055673 -0.113166 0.085767 0.017763 7C 1f-1 0.110627 0.037101 0.016195 -0.019957 0.119141 0.001988 7C 1f+2 0.070984 -0.013368 0.019246 -0.004002 0.006166 0.029334 7C 1f-2 -0.096893 -0.022639 0.041086 -0.002850 0.012144 -0.050181 7C 1f+3 -0.028028 -0.046087 0.067957 -0.086193 0.043196 -0.042722 7C 1f-3 -0.054273 0.031711 0.077849 0.007297 0.099247 -0.011183 8C 1s 0.011942 -0.013689 -0.009558 0.003788 0.000967 -0.010957 8C 2s 0.035711 -0.034522 -0.024171 0.012147 -0.000135 -0.031524 8C 3s -0.170836 -0.367623 -0.161250 0.003306 0.110881 0.026069 8C 4s 0.168491 2.592937 1.406688 -0.288736 -0.559494 0.823186 8C 5s 0.070362 -0.871762 -0.253513 -0.138732 -0.135284 1.048113 8C 1pz 0.029178 0.109902 0.053127 -0.051480 -0.019883 -0.002430 8C 1px 0.014861 -0.021489 0.001530 -0.012875 0.008602 0.005108 8C 1py -0.041624 -0.144214 -0.077492 -0.042137 0.080056 0.007458 8C 2pz -0.480311 -0.728317 -0.340135 0.522924 0.150560 -0.154499 8C 2px -0.215876 0.336574 0.036435 0.205475 -0.347998 -0.128626 8C 2py 0.678392 0.648602 0.218803 0.212631 -0.286414 -0.038451 8C 3pz -0.009140 -0.057480 0.036285 0.303701 0.013640 -0.103202 8C 3px -0.054477 0.144072 -0.124691 0.125760 -0.192549 -0.493168 8C 3py -0.131404 -0.040165 -0.076891 0.070320 -0.059359 0.205223 8C 1dz2 0.069156 -0.148263 -0.050254 0.432869 -0.175361 0.037791 8C 1dxz 0.075729 -0.223114 -0.057171 0.034412 0.080596 0.120694 8C 1dyz -0.035001 -0.001746 -0.005837 -0.064838 0.024695 0.033949 8C 1dx2y2 -0.067878 0.205726 -0.026259 -0.003663 -0.144992 -0.260370 8C 1dxy 0.097877 -0.166408 0.077236 -0.154691 0.197571 0.395994 8C 2dz2 -0.005531 0.134035 0.067249 -0.587033 0.153266 0.048131 8C 2dxz -0.012858 0.701570 0.323775 0.163796 -0.414152 -0.108840 8C 2dyz -0.131327 0.108340 0.165642 0.205202 -0.253003 0.013627 8C 2dx2y2 -0.238990 -0.376016 -0.054168 0.076357 0.256119 0.159870 8C 2dxy -0.245603 0.177021 -0.089316 0.246737 -0.207355 -0.361639 8C 1f0 0.038734 -0.063670 -0.071658 -0.060641 0.076409 -0.036791 8C 1f+1 -0.003829 0.054271 0.021408 0.021159 -0.026632 -0.047492 8C 1f-1 -0.067612 -0.092824 -0.070472 -0.117999 0.157791 -0.064174 8C 1f+2 -0.057118 -0.058393 -0.083810 -0.071486 0.102113 -0.089880 8C 1f-2 0.008654 0.150411 0.143328 -0.001283 -0.028779 0.144193 8C 1f+3 -0.055038 -0.041542 -0.042243 -0.048950 0.068403 -0.076864 8C 1f-3 0.059477 -0.147471 -0.119996 -0.019118 0.025484 -0.050402 9C 1s -0.013617 0.008534 -0.005213 -0.008536 -0.004243 -0.013829 9C 2s -0.032231 0.023694 -0.014086 -0.025175 -0.008825 -0.039155 9C 3s -0.658091 0.079612 0.028111 0.087756 -0.111914 0.065162 9C 4s 3.915340 -0.906325 0.089261 0.119552 0.610527 0.547448 9C 5s -1.655486 0.138166 0.781910 -0.349914 0.424799 0.192032 9C 1pz 0.224466 -0.025321 0.009063 -0.049958 0.085075 0.018661 9C 1px -0.010321 0.030759 0.012669 -0.019739 0.010999 -0.008146 9C 1py 0.156864 -0.044874 0.024865 0.022134 0.033126 -0.030186 9C 2pz -1.291787 0.109335 0.333644 0.586005 -0.070625 0.189311 9C 2px 0.265569 -0.231321 -0.112148 0.228957 0.134932 0.201890 9C 2py -0.992437 0.140466 0.008874 -0.209773 0.151294 0.436116 9C 3pz 0.162828 0.002240 -0.026634 0.067647 -0.071721 -0.248399 9C 3px 0.286817 -0.022362 -0.196815 0.142694 -0.121180 -0.027544 9C 3py 0.034064 0.097878 -0.193069 -0.152195 0.033001 0.107477 9C 1dz2 -0.182955 -0.032802 0.115968 0.106882 0.036352 -0.215159 9C 1dxz 0.051684 0.036930 -0.085343 0.033897 -0.024226 0.050050 9C 1dyz 0.077564 0.050993 -0.086835 -0.112756 0.002704 0.092051 9C 1dx2y2 0.349346 -0.096653 -0.108690 0.253619 0.018066 0.036169 9C 1dxy 0.221663 -0.124315 -0.054341 0.302167 -0.043164 -0.086943 9C 2dz2 0.337441 -0.008161 -0.243769 -0.273421 -0.071681 0.149314 9C 2dxz 0.275732 -0.042573 0.098590 0.024814 0.115166 -0.077385 9C 2dyz 0.113401 -0.027821 -0.019889 0.061674 -0.300954 -0.359959 9C 2dx2y2 -0.695304 0.148663 0.159702 -0.150373 -0.212959 -0.074535 9C 2dxy -0.186023 0.194705 -0.017460 -0.446041 0.175294 0.129601 9C 1f0 0.031448 -0.007910 0.011877 0.028514 0.134917 -0.023273 9C 1f+1 -0.076230 -0.028341 -0.033623 0.081053 -0.043296 -0.035332 9C 1f-1 0.031626 -0.023421 0.073265 -0.025596 0.171798 0.048048 9C 1f+2 -0.023585 -0.037490 -0.002280 0.058672 0.044026 -0.013961 9C 1f-2 -0.193579 0.066423 -0.048992 0.061703 -0.140356 -0.051255 9C 1f+3 0.031642 0.018823 0.025408 0.028637 -0.006370 0.054402 9C 1f-3 0.127541 -0.014918 0.028312 0.018874 0.026259 0.029702 10H 1s 0.042630 -0.053018 -0.010259 -0.009487 -0.089794 0.060269 10H 2s 0.386640 0.131635 0.291388 -0.132725 -0.010085 -0.228837 10H 3s -0.018758 -0.061040 0.108695 0.113215 0.025400 0.102884 10H 1pz 0.142273 0.030666 0.076145 -0.080006 -0.047087 -0.015377 10H 1px -0.100801 -0.116837 -0.084443 0.074465 -0.075546 0.164782 10H 1py -0.004108 -0.039524 0.019287 0.005983 0.016369 -0.032601 11H 1s 0.034934 0.018546 0.006086 -0.018803 -0.056700 0.038632 11H 2s 0.179342 0.424002 0.231236 -0.508555 0.456301 -0.373830 11H 3s -0.070794 -0.048152 0.068156 0.060967 -0.015428 0.147593 11H 1pz 0.058238 0.131500 0.104583 -0.127185 0.129531 -0.113232 11H 1px 0.016482 0.089114 0.039414 -0.094855 0.140288 -0.162520 11H 1py -0.095291 -0.042382 -0.023437 0.073607 -0.022316 0.084417 12H 1s -0.084952 -0.041284 -0.030919 0.052574 0.039166 -0.011663 12H 2s -0.044354 0.307061 0.049981 0.186461 0.609075 -0.659305 12H 3s -0.076493 -0.080878 -0.013600 0.098811 -0.009413 -0.030144 12H 1pz -0.138076 0.010014 -0.021479 0.116717 0.134617 -0.009039 12H 1px -0.012111 0.102468 0.026970 -0.020282 0.144291 -0.113634 12H 1py 0.022364 0.146990 0.039357 0.045294 0.226962 -0.239920 13H 1s 0.052282 0.196432 -0.112427 0.043875 0.080959 0.056336 13H 2s 0.244956 0.155863 0.036303 0.180343 0.379894 -0.351238 13H 3s 0.038203 0.230179 -0.019270 0.007513 0.072660 -0.115899 13H 1pz 0.014356 -0.077741 0.071278 0.009241 0.065936 -0.055893 13H 1px -0.029578 0.138901 -0.096039 -0.068292 -0.002159 0.121069 13H 1py -0.089297 -0.153971 0.063199 -0.088919 -0.133921 -0.003824 14H 1s -0.050266 -0.050675 0.023785 -0.075050 -0.019335 -0.002284 14H 2s -0.326457 -0.984550 0.522950 -0.482313 -0.422474 -0.124520 14H 3s 0.038538 0.139156 -0.098422 -0.104762 -0.070194 0.113508 14H 1pz -0.073327 -0.159598 0.087138 -0.079830 -0.047129 -0.073518 14H 1px -0.092873 -0.399065 0.226143 -0.091422 -0.144441 -0.096909 14H 1py 0.132150 0.189313 -0.119592 0.135460 0.106320 -0.003855 15H 1s 0.046576 0.039512 -0.027214 0.022571 -0.002613 0.010122 15H 2s 0.030882 -0.889587 0.604245 0.324491 -0.289734 -0.407791 15H 3s 0.027607 0.168976 -0.056823 0.040560 -0.026825 0.016881 15H 1pz -0.021802 0.123470 -0.085343 -0.038040 -0.002249 0.102338 15H 1px -0.033782 -0.192858 0.096991 -0.038483 -0.103813 0.001799 15H 1py -0.032162 0.347652 -0.237760 -0.081863 0.145548 0.174673 16H 1s -0.005556 0.028273 -0.004956 0.003136 0.017801 -0.009731 16H 2s -0.340115 -0.209142 0.874945 0.176340 0.001351 0.481577 16H 3s 0.002261 0.005599 -0.047684 -0.009045 0.022251 -0.045330 16H 1pz -0.148293 -0.064453 0.369087 0.081407 -0.001506 0.204219 16H 1px -0.010196 0.005553 0.006449 0.003483 0.041213 0.014850 16H 1py -0.021965 -0.019006 0.061537 0.016203 -0.027515 0.031475 17H 1s 0.005307 0.016239 0.009950 0.027720 -0.014350 0.026525 17H 2s -0.328537 -0.178890 0.663218 -0.000600 0.402606 0.315746 17H 3s 0.032368 0.047794 -0.021366 0.025974 -0.033657 0.014565 17H 1pz 0.115768 0.052566 -0.229679 -0.025092 -0.102874 -0.117103 17H 1px 0.065134 0.025839 -0.160968 0.000452 -0.114642 -0.068643 17H 1py -0.027524 -0.016618 0.070954 -0.004502 0.071023 0.042013 18H 1s -0.009033 0.016295 -0.009126 0.028840 0.008657 0.025194 18H 2s -0.524881 -0.180425 -0.663568 -0.051867 -0.401680 0.324926 18H 3s 0.052692 0.048262 0.025003 0.031468 0.028205 0.015813 18H 1pz -0.194075 -0.054509 -0.232123 0.010788 -0.109556 0.119894 18H 1px -0.121952 -0.025810 -0.160535 -0.015217 -0.113999 0.071315 18H 1py 0.078537 0.014853 0.064536 0.013692 0.066814 -0.039487 19H 1s -0.037166 0.027458 0.004876 -0.000563 -0.018993 -0.011719 19H 2s -0.285862 -0.206499 -0.868853 0.181943 -0.039370 0.500322 19H 3s -0.053748 0.006648 0.044443 -0.010918 -0.020556 -0.042707 19H 1pz 0.145194 0.062921 0.364812 -0.083224 0.016414 -0.210379 19H 1px 0.044942 -0.003945 0.003173 0.004319 0.041410 -0.010681 19H 1py 0.007596 0.020531 0.069660 -0.021854 -0.022354 -0.037802 20H 1s -0.053729 0.041286 0.026760 0.022094 -0.001569 0.007136 20H 2s 0.198058 -0.909421 -0.610549 0.371691 0.274670 -0.390314 20H 3s -0.122021 0.174024 0.057653 0.042942 0.013984 0.017409 20H 1pz 0.150709 -0.127260 -0.085744 0.040175 -0.001597 -0.100685 20H 1px -0.027348 0.196454 0.098113 0.021212 -0.113396 -0.006853 20H 1py 0.023739 -0.354109 -0.241173 0.104873 0.145439 -0.168471 21H 1s 0.020126 -0.047481 -0.021567 -0.069970 0.029331 0.002747 21H 2s 0.411431 -0.994230 -0.525780 -0.401017 0.516164 -0.091549 21H 3s -0.065702 0.144461 0.100384 -0.096816 0.081676 0.115572 21H 1pz -0.094919 0.165599 0.091024 0.069649 -0.065263 0.068831 21H 1px -0.140933 0.403569 0.227655 0.063348 -0.168469 0.085877 21H 1py -0.046007 -0.185713 -0.118764 -0.115183 0.127137 0.015549 22H 1s -0.012987 0.196292 0.112433 0.028879 -0.091732 0.050017 22H 2s 0.378041 0.132515 -0.047675 0.125184 -0.389449 -0.374909 22H 3s -0.096451 0.237607 0.017111 -0.004075 -0.077909 -0.117336 22H 1pz -0.167469 0.084419 0.071091 -0.001054 0.061289 0.056875 22H 1px 0.096531 -0.145822 -0.098289 0.070240 -0.004167 -0.120963 22H 1py 0.057025 0.146134 0.059424 0.066542 -0.146205 -0.006767 23H 1s 0.046512 -0.044281 0.030560 0.046147 -0.043140 -0.012015 23H 2s -0.903209 0.296948 -0.063002 0.096144 -0.611050 -0.659495 23H 3s 0.203914 -0.081022 0.009354 0.102401 -0.006671 -0.027212 23H 1pz 0.089385 -0.006030 -0.021719 -0.097874 0.146382 0.008042 23H 1px 0.268934 -0.099956 0.029827 0.040892 0.133665 0.108710 23H 1py 0.346651 -0.143823 0.044010 -0.011567 0.228126 0.242852 24H 1s 0.017155 0.021573 -0.006002 -0.010517 0.056985 0.040311 24H 2s -1.129039 0.426820 -0.247375 -0.568969 -0.370998 -0.364329 24H 3s 0.204438 -0.047655 -0.064287 0.064610 0.001129 0.154697 24H 1pz 0.424323 -0.132326 0.108201 0.142805 0.107163 0.106660 24H 1px 0.333189 -0.090735 0.046467 0.116326 0.122638 0.161945 24H 1py 0.027109 0.038905 -0.023336 -0.076161 -0.007294 -0.085063 25H 1s 0.179684 -0.052812 0.012847 0.002428 0.087810 0.057560 25H 2s -0.054400 0.129693 -0.296372 -0.135406 0.023970 -0.237687 25H 3s 0.351509 -0.065463 -0.102797 0.112347 -0.041477 0.101913 25H 1pz 0.011179 -0.033955 0.078265 0.075668 -0.053222 0.020598 25H 1px -0.221821 0.115256 -0.088304 -0.084938 -0.063024 -0.163955 25H 1py -0.022850 0.043354 0.018968 -0.003174 0.014373 0.032778 26O 1s 0.004395 -0.001578 0.018384 0.003231 0.012735 -0.002512 26O 2s 0.014892 -0.004965 0.064236 0.010041 0.044382 -0.008978 26O 3s -0.049425 0.058243 -0.502253 -0.098825 -0.401473 0.074673 26O 4s -0.307824 -0.214280 1.093203 0.393331 1.300679 -0.195545 26O 5s -0.542914 -0.496159 -0.455838 0.102476 -0.235318 -0.050146 26O 1pz 0.032460 0.069207 0.020921 0.021918 0.026025 -0.034520 26O 1px -0.127556 -0.057954 -0.046997 0.058395 0.059353 0.015777 26O 1py -0.150403 -0.003214 -0.040922 0.110808 0.151524 -0.017029 26O 2pz -0.034438 -0.093023 -0.044492 -0.015873 -0.083542 0.070220 26O 2px 0.483335 0.232592 -0.062335 -0.217185 -0.499492 0.054466 26O 2py 0.353005 0.026243 0.023006 -0.319133 -0.444739 0.079677 26O 3pz -0.104660 0.342488 0.013385 0.029452 0.356390 -0.342148 26O 3px 0.008872 0.250881 -0.384197 0.005304 -0.176904 -0.088398 26O 3py -0.341507 0.073933 -0.137245 -0.001669 0.419798 -0.196161 26O 1dz2 0.008931 0.001692 -0.002253 -0.005301 -0.004355 -0.007312 26O 1dxz 0.002502 0.000534 -0.007407 -0.001312 -0.006191 0.000033 26O 1dyz -0.000924 0.000321 -0.000176 0.002510 0.001908 0.003459 26O 1dx2y2 -0.005296 -0.002288 0.005155 0.004554 0.003712 0.004498 26O 1dxy -0.004918 -0.004832 -0.002574 0.005131 -0.000150 -0.004836 26O 2dz2 0.066180 0.039347 0.025173 -0.038404 -0.041994 -0.039160 26O 2dxz 0.066836 -0.016621 0.015337 -0.037175 -0.088929 0.011336 26O 2dyz 0.014329 0.004763 0.034866 -0.016032 -0.023544 -0.000910 26O 2dx2y2 -0.032080 -0.065937 -0.001718 -0.057831 -0.001313 -0.002095 26O 2dxy 0.001216 -0.003393 -0.009613 0.073418 -0.036608 0.009442 26O 1f0 -0.008606 -0.004294 -0.004487 -0.001324 -0.004224 0.012312 26O 1f+1 0.000856 0.001462 0.010293 0.002001 0.004456 -0.003228 26O 1f-1 0.002348 0.001301 0.008918 0.008357 0.001411 -0.003288 26O 1f+2 0.009463 0.010502 0.003767 0.001238 0.008994 -0.012851 26O 1f-2 0.005360 0.005661 0.004930 0.007737 0.004568 -0.007682 26O 1f+3 -0.023005 -0.004842 0.015187 -0.002631 0.031962 0.012174 26O 1f-3 -0.005962 -0.004247 0.004194 0.010769 0.014737 -0.012228 27O 1s 0.000227 -0.001597 0.027966 -0.011687 -0.000838 0.002053 27O 2s 0.000466 -0.007465 0.098088 -0.040201 -0.002498 0.009415 27O 3s -0.039649 0.109972 -0.792477 0.364037 0.093152 -0.046280 27O 4s 0.169939 -0.679110 1.995257 -1.140057 -0.700701 -0.169502 27O 5s 1.339580 0.663416 -1.040938 -0.258793 -0.995717 -0.783930 27O 1pz -0.121324 -0.149627 0.076169 -0.052478 -0.016173 -0.120812 27O 1px 0.010225 -0.108328 -0.000276 -0.126842 -0.192036 -0.104125 27O 1py 0.008748 0.060546 -0.006460 -0.007052 0.019559 0.137216 27O 2pz 0.225238 0.226778 -0.100879 0.116489 0.046969 0.211474 27O 2px -0.256149 0.442101 -0.380910 0.646906 0.812653 0.431954 27O 2py 0.071195 -0.143932 0.095913 -0.026496 -0.138832 -0.358967 27O 3pz -0.113442 -0.537323 0.348866 -0.106164 -0.169701 -0.389272 27O 3px -0.560653 -0.847517 -0.028208 -0.160718 0.264529 -0.108436 27O 3py 0.158243 0.832349 -0.201929 0.182704 0.330222 0.401231 27O 1dz2 -0.009212 -0.001776 0.002522 0.007233 0.008134 0.005595 27O 1dxz -0.001253 -0.003191 -0.003039 -0.004492 -0.002389 0.002366 27O 1dyz -0.002674 -0.001612 -0.000471 -0.000634 0.001669 0.009372 27O 1dx2y2 -0.000548 -0.003098 0.004918 -0.006551 -0.006087 -0.004705 27O 1dxy -0.001815 -0.004129 0.006121 -0.000069 0.000129 0.009121 27O 2dz2 -0.114070 -0.083193 0.070142 0.008753 0.037366 0.030421 27O 2dxz -0.044553 0.027199 -0.015330 -0.042329 0.072700 -0.044593 27O 2dyz -0.034995 -0.011832 -0.001425 -0.015878 -0.017744 0.062951 27O 2dx2y2 0.019033 0.028027 -0.039931 -0.055547 -0.098139 0.024085 27O 2dxy -0.095815 -0.112082 0.046676 -0.062432 -0.128274 0.092401 27O 1f0 0.013119 0.017408 -0.023905 -0.003412 -0.010046 0.016337 27O 1f+1 0.009278 -0.008787 0.014424 -0.022198 -0.018454 -0.004864 27O 1f-1 -0.005300 -0.004401 -0.000585 -0.001417 0.002056 0.002539 27O 1f+2 -0.010119 -0.020593 0.014152 0.007638 0.003307 -0.014836 27O 1f-2 0.001691 -0.004383 -0.000137 -0.008713 -0.017785 0.017514 27O 1f+3 0.014966 -0.007527 0.016596 -0.020199 -0.016282 -0.005830 27O 1f-3 -0.006761 -0.012240 0.000954 -0.011803 0.001364 0.013784 28O 1s -0.004291 -0.007668 -0.020893 0.002906 -0.010198 0.004751 28O 2s -0.015502 -0.025968 -0.073001 0.011308 -0.034850 0.016853 28O 3s 0.120058 0.197916 0.542225 -0.104099 0.256268 -0.127404 28O 4s -0.161202 -0.408193 -1.079416 0.190825 -0.725128 0.304990 28O 5s 0.122999 0.309123 1.250134 0.230763 1.291613 -0.706664 28O 1pz 0.060934 -0.060632 0.068035 -0.064455 -0.115041 0.068286 28O 1px -0.003178 -0.013306 -0.063101 -0.022058 -0.057612 0.009332 28O 1py 0.120329 -0.032188 0.005914 -0.116879 -0.147795 0.004901 28O 2pz -0.107615 0.106488 -0.111766 0.097275 0.203407 -0.092752 28O 2px 0.038823 -0.023462 0.097176 0.072998 0.061182 -0.047733 28O 2py -0.187594 0.108053 -0.015949 0.207506 0.265561 0.012012 28O 3pz 0.637400 -0.238479 -0.074652 -0.488179 -0.642276 0.234181 28O 3px -0.233461 0.044860 0.070745 0.012069 -0.015120 -0.049322 28O 3py 0.370608 0.049756 -0.088932 -0.227064 -0.238937 -0.078136 28O 1dz2 0.001252 0.000845 0.005230 -0.000739 0.001754 -0.001879 28O 1dxz -0.003483 0.005727 -0.000765 0.001383 0.001466 0.002112 28O 1dyz 0.001913 0.001807 0.005358 -0.004841 0.004247 -0.004958 28O 1dx2y2 -0.001464 0.001117 -0.001374 -0.000736 -0.003000 0.006141 28O 1dxy -0.003617 -0.000321 -0.004181 -0.000909 0.002837 -0.007371 28O 2dz2 0.005378 0.068717 -0.015846 -0.018008 0.082105 -0.054642 28O 2dxz 0.052854 -0.035931 -0.068475 -0.055705 -0.132167 0.035604 28O 2dyz 0.041062 -0.002693 -0.002624 -0.066661 0.031211 -0.070797 28O 2dx2y2 -0.055981 -0.019796 0.062849 0.053736 0.033340 0.006417 28O 2dxy -0.017338 0.033024 -0.001892 0.004489 0.050356 -0.000952 28O 1f0 0.000288 -0.006253 0.001403 -0.008237 -0.002288 -0.001800 28O 1f+1 -0.002609 -0.004500 -0.003229 0.000693 0.006511 -0.007930 28O 1f-1 0.010158 0.001559 -0.010102 -0.005271 -0.009823 -0.002851 28O 1f+2 -0.005681 -0.000354 0.006688 -0.000543 0.006135 0.005336 28O 1f-2 -0.018848 -0.008635 0.000642 0.010218 0.010949 0.010579 28O 1f+3 -0.008192 -0.006425 -0.000160 0.001701 0.003627 0.000209 28O 1f-3 -0.005413 -0.006102 0.004227 0.006288 0.005390 0.007061 29O 1s -0.019035 -0.006775 0.034966 0.006091 0.010050 0.021722 29O 2s -0.063621 -0.022442 0.116653 0.020227 0.033750 0.072436 29O 3s 0.394212 0.131403 -0.714245 -0.125318 -0.213521 -0.449043 29O 4s -0.558894 -0.155295 1.105443 0.190229 0.342197 0.653776 29O 5s 0.937191 0.338918 -2.417479 -0.337430 -0.682625 -1.178826 29O 1pz 0.054882 0.009908 -0.070059 -0.013855 -0.011824 -0.060708 29O 1px -0.128505 -0.051215 0.148396 0.047755 0.057390 0.151370 29O 1py 0.052133 -0.001899 -0.110375 -0.020355 -0.024393 -0.045225 29O 2pz -0.154264 -0.046457 0.289143 0.084230 -0.072761 0.208418 29O 2px 0.310742 0.127175 -0.470435 -0.099334 -0.200859 -0.366366 29O 2py -0.193650 -0.043704 0.441781 0.069548 0.111847 0.210645 29O 3pz 0.099658 0.012996 -0.073520 0.026407 -0.123171 -0.055122 29O 3px -0.200441 -0.035746 0.541874 0.112955 0.109313 0.296508 29O 3py -0.159181 -0.177029 0.363854 -0.000229 0.155691 0.162500 29O 1dz2 -0.002649 -0.000006 0.007836 0.002479 -0.003225 0.003370 29O 1dxz -0.003062 -0.000802 0.005562 0.000474 0.003637 0.003688 29O 1dyz -0.002641 -0.001266 0.002869 0.000492 -0.004875 0.001390 29O 1dx2y2 0.002597 0.000432 -0.008424 -0.001247 -0.000982 -0.004034 29O 1dxy 0.001856 0.002288 -0.001844 0.001060 -0.004416 0.000632 29O 2dz2 0.033383 0.019339 -0.074190 -0.016867 0.003505 -0.045395 29O 2dxz 0.002243 0.008393 -0.022928 0.003544 -0.027112 -0.017983 29O 2dyz 0.023445 0.001341 -0.076590 -0.037160 0.044640 -0.048556 29O 2dx2y2 -0.012916 -0.011173 -0.004437 0.000925 -0.003081 0.003760 29O 2dxy -0.069179 -0.008832 0.142803 0.030990 0.056393 0.095080 29O 1f0 -0.005982 -0.005314 0.013079 0.000294 0.005220 0.007013 29O 1f+1 0.003986 0.002825 -0.007631 -0.000885 -0.001218 -0.003801 29O 1f-1 -0.004268 -0.007734 0.011971 0.000765 -0.000441 0.006454 29O 1f+2 0.001191 -0.000460 -0.003861 -0.001463 0.001321 -0.002672 29O 1f-2 -0.004996 -0.002655 0.007654 -0.002945 0.005806 0.000469 29O 1f+3 -0.001419 -0.001109 0.006270 0.001081 0.000801 0.002434 29O 1f-3 0.000317 -0.000010 -0.003058 0.001335 -0.001656 -0.000603 30O 1s 0.007552 0.013323 -0.024771 -0.008159 0.004628 -0.006267 30O 2s 0.024854 0.043993 -0.085333 -0.028814 0.015424 -0.024162 30O 3s -0.204627 -0.337924 0.627113 0.224366 -0.062691 0.216770 30O 4s 0.496181 0.908516 -1.336117 -0.298258 0.015498 -0.441987 30O 5s 0.851134 -0.449065 1.713485 -0.171680 -1.531716 -0.950728 30O 1pz 0.092643 0.221457 -0.090442 0.107522 0.062773 0.151257 30O 1px 0.002669 0.039738 -0.129782 0.000224 0.157344 0.044406 30O 1py -0.008327 -0.141524 0.036095 -0.080650 -0.092255 -0.176676 30O 2pz -0.347117 -0.502377 0.167172 -0.152060 -0.001770 -0.162938 30O 2px 0.154151 0.086583 0.184197 0.004166 -0.414862 -0.212852 30O 2py 0.148679 0.312688 -0.056568 0.130489 0.009571 0.210984 30O 3pz -0.027686 0.635761 -0.240224 0.375859 0.474290 0.422772 30O 3px 0.281072 -0.032880 -0.133452 0.040674 -0.222767 -0.094770 30O 3py -0.187911 -0.865143 0.468787 -0.676825 -0.638894 -0.513268 30O 1dz2 0.002251 0.006603 0.001341 0.001900 0.008086 -0.006232 30O 1dxz 0.000005 -0.007953 0.002423 -0.005466 0.003145 -0.002085 30O 1dyz -0.008060 -0.004366 -0.005996 -0.001480 0.003538 -0.006366 30O 1dx2y2 -0.003788 -0.000890 -0.005338 -0.000431 -0.004713 0.007549 30O 1dxy 0.002291 0.008826 -0.000473 -0.001192 -0.000534 0.003344 30O 2dz2 0.043713 0.092751 -0.061528 0.009805 0.096650 0.037856 30O 2dxz -0.055447 0.020429 -0.063424 0.050886 0.089207 0.029626 30O 2dyz -0.043153 0.088836 -0.086858 0.038879 0.093089 -0.010322 30O 2dx2y2 0.036555 0.086900 0.002708 0.024929 -0.016342 -0.027980 30O 2dxy -0.057450 -0.115790 0.133789 -0.050680 -0.067561 -0.069361 30O 1f0 0.011259 0.008396 -0.000211 -0.000494 -0.003822 -0.005922 30O 1f+1 0.002784 0.002180 0.009685 -0.004835 -0.004303 -0.017693 30O 1f-1 0.002345 -0.010126 0.015415 -0.001497 -0.003526 -0.019257 30O 1f+2 0.001387 -0.010289 0.016966 -0.006941 -0.013696 -0.003697 30O 1f-2 -0.008505 -0.001213 0.000840 0.010828 0.018250 0.010262 30O 1f+3 0.002382 0.003026 0.003847 -0.009015 -0.017182 0.003666 30O 1f-3 -0.008421 -0.006672 0.008107 -0.004489 0.002577 -0.001451 31O 1s 0.004842 0.013591 0.023707 -0.009177 -0.003593 -0.007384 31O 2s 0.015862 0.044936 0.081560 -0.032219 -0.011695 -0.028022 31O 3s -0.059489 -0.346748 -0.598627 0.241596 0.033813 0.242176 31O 4s -0.215190 0.930677 1.285123 -0.316619 0.013129 -0.479702 31O 5s -0.737053 -0.414240 -1.666785 0.079789 1.584202 -0.817955 31O 1pz 0.067698 -0.219171 -0.095355 -0.094985 0.083097 -0.147165 31O 1px -0.132839 -0.036067 -0.126531 0.024427 0.156949 -0.029995 31O 1py 0.012758 0.141612 0.046178 0.066093 -0.111245 0.176847 31O 2pz -0.227260 0.503871 0.174731 0.145807 -0.032637 0.162336 31O 2px 0.392989 -0.099052 0.179808 -0.068100 -0.412270 0.177673 31O 2py 0.120949 -0.319735 -0.072718 -0.126842 0.041831 -0.219885 31O 3pz -0.246499 -0.621416 -0.248362 -0.295727 0.540006 -0.398902 31O 3px 0.202024 0.021976 -0.145575 -0.074084 -0.221554 0.076285 31O 3py 0.387555 0.848964 0.493105 0.565649 -0.756525 0.476512 31O 1dz2 0.001070 0.006497 -0.001703 0.000662 -0.008274 -0.006724 31O 1dxz 0.007152 -0.007989 -0.002632 -0.005863 -0.002087 -0.002374 31O 1dyz -0.000634 -0.004453 0.005662 -0.002001 -0.003238 -0.006678 31O 1dx2y2 -0.002168 -0.000911 0.005686 0.000208 0.004614 0.008000 31O 1dxy -0.002131 0.008971 0.000779 -0.001117 0.000398 0.003535 31O 2dz2 0.047144 0.089196 0.060093 -0.006041 -0.098818 0.029391 31O 2dxz 0.081097 0.017810 0.061912 0.036868 -0.096949 0.024195 31O 2dyz -0.055442 0.089056 0.085499 0.023647 -0.101445 -0.014013 31O 2dx2y2 -0.112640 0.089724 -0.001474 0.026189 0.010756 -0.022920 31O 2dxy -0.077664 -0.113155 -0.133838 -0.037232 0.076736 -0.060811 31O 1f0 0.009090 -0.008713 0.000133 0.000035 -0.004012 0.005844 31O 1f+1 0.006132 -0.002667 0.009945 0.003939 -0.004980 0.017020 31O 1f-1 0.003231 0.009768 0.015537 0.000764 -0.004051 0.018481 31O 1f+2 0.009570 0.009453 0.016963 0.005011 -0.014699 0.003078 31O 1f-2 -0.010958 0.001800 0.000432 -0.008105 0.019759 -0.009423 31O 1f+3 0.007830 -0.003490 0.004063 0.006664 -0.018106 -0.004087 31O 1f-3 0.010402 0.006571 0.008349 0.004750 0.001880 0.001317 32O 1s -0.026308 -0.006933 -0.034652 0.004613 -0.011508 0.021730 32O 2s -0.087829 -0.022994 -0.115585 0.015232 -0.038626 0.072397 32O 3s 0.545972 0.135417 0.707157 -0.092796 0.244517 -0.446817 32O 4s -0.788159 -0.162273 -1.094792 0.136906 -0.390857 0.647852 32O 5s 1.292828 0.344666 2.406329 -0.245531 0.762338 -1.195972 32O 1pz -0.061285 -0.010905 -0.065308 0.010807 -0.014757 0.057497 32O 1px 0.194083 0.053626 0.146599 -0.037598 0.068093 -0.147975 32O 1py -0.055015 0.001555 -0.110653 0.016595 -0.028500 0.045568 32O 2pz 0.095854 0.045752 0.271968 -0.092164 -0.056394 -0.203331 32O 2px -0.488798 -0.132293 -0.469782 0.069087 -0.223012 0.364532 32O 2py 0.245963 0.044357 0.443567 -0.056471 0.123316 -0.216726 32O 3pz -0.163988 -0.017621 -0.079037 -0.044820 -0.120152 0.051273 32O 3px 0.283291 0.037744 0.535668 -0.094224 0.136191 -0.293378 32O 3py 0.164033 0.179207 0.364068 0.017071 0.154652 -0.170853 32O 1dz2 -0.001662 -0.000005 -0.007849 0.002989 0.002675 0.003592 32O 1dxz -0.005778 -0.000883 -0.005553 -0.000084 -0.003726 0.003614 32O 1dyz 0.002979 -0.001238 -0.002901 0.001261 0.004736 0.001553 32O 1dx2y2 0.003721 0.000361 0.008344 -0.001122 0.001334 -0.004230 32O 1dxy 0.001663 0.002332 0.001825 0.001636 0.004113 0.000570 32O 2dz2 0.027925 0.018475 0.070501 -0.015912 0.003091 -0.045289 32O 2dxz 0.024525 0.007810 0.024863 0.006631 0.028731 -0.020436 32O 2dyz 0.013293 0.001152 0.078043 -0.044127 -0.036900 -0.051759 32O 2dx2y2 -0.001047 -0.011315 0.004453 0.002382 0.005768 0.003757 32O 2dxy -0.132863 -0.009250 -0.141988 0.023497 -0.061375 0.095128 32O 1f0 0.006879 0.004788 0.012180 0.000337 0.005328 -0.006912 32O 1f+1 -0.004107 -0.002953 -0.008160 0.000672 -0.001756 0.004162 32O 1f-1 0.002161 0.007874 0.012558 -0.000952 -0.000047 -0.007198 32O 1f+2 -0.000494 0.000155 -0.004380 0.001603 0.000815 0.003000 32O 1f-2 0.005526 0.002568 0.007017 0.003784 0.005225 -0.000309 32O 1f+3 0.001128 0.001153 0.006345 -0.000788 0.001346 -0.002573 32O 1f-3 -0.000055 0.000091 -0.002798 -0.001510 -0.001337 0.000620 33O 1s 0.016267 -0.007652 0.020505 0.003891 0.009613 0.003882 33O 2s 0.054323 -0.025914 0.071687 0.014691 0.032665 0.013865 33O 3s -0.446572 0.197396 -0.534217 -0.130432 -0.238337 -0.108403 33O 4s 1.235461 -0.401745 1.076528 0.284950 0.691714 0.286539 33O 5s 0.388640 0.281976 -1.232191 0.085049 -1.280990 -0.619127 33O 1pz -0.190524 0.059699 0.061770 0.046876 -0.122864 -0.072174 33O 1px 0.049253 0.012324 -0.059302 0.017837 -0.059490 -0.002324 33O 1py -0.130528 0.027540 0.006565 0.096913 -0.160652 -0.002530 33O 2pz 0.603294 -0.105836 -0.097282 -0.061201 0.218943 0.109309 33O 2px -0.423181 0.025126 0.085620 -0.076284 0.065692 0.024630 33O 2py 0.276468 -0.099501 -0.017672 -0.171333 0.289835 -0.014964 33O 3pz -0.628997 0.225850 -0.092998 0.399590 -0.694392 -0.217008 33O 3px -0.178237 -0.043523 0.073302 -0.021903 -0.014331 0.023690 33O 3py -0.561267 -0.051479 -0.094681 0.192882 -0.266372 0.086780 33O 1dz2 0.002966 0.000707 -0.005195 -0.001020 -0.001514 -0.001821 33O 1dxz -0.011056 0.005710 0.000783 0.001038 -0.001678 0.001956 33O 1dyz 0.003241 0.001729 -0.005527 -0.005495 -0.003566 -0.004900 33O 1dx2y2 0.001702 0.001315 0.001747 -0.000306 0.002971 0.006617 33O 1dxy -0.006438 -0.000305 0.003906 -0.001301 -0.002460 -0.007312 33O 2dz2 -0.122125 0.067087 0.013788 -0.032219 -0.075997 -0.055763 33O 2dxz 0.054515 -0.033322 0.068343 -0.038679 0.136583 0.031346 33O 2dyz -0.036729 -0.000840 -0.001377 -0.073263 -0.022006 -0.072373 33O 2dx2y2 0.031349 -0.020583 -0.060594 0.051989 -0.039239 0.013884 33O 2dxy 0.054718 0.030208 0.003520 -0.001472 -0.049036 0.000161 33O 1f0 -0.003717 0.006448 0.001414 0.008050 -0.003677 0.001384 33O 1f+1 -0.009243 0.004488 -0.002804 -0.000371 0.006152 0.007329 33O 1f-1 0.005911 -0.002117 -0.009911 0.004176 -0.010205 0.003045 33O 1f+2 0.013512 0.000697 0.006721 0.001384 0.006069 -0.005107 33O 1f-2 0.001782 0.008863 0.000253 -0.008521 0.011975 -0.010962 33O 1f+3 0.010423 0.006592 0.000006 -0.001324 0.003648 -0.000524 33O 1f-3 -0.009405 0.006105 0.003669 -0.005381 0.006065 -0.007255 34O 1s -0.004495 -0.001284 -0.027657 -0.011050 0.002558 0.002927 34O 2s -0.015645 -0.006454 -0.097014 -0.038071 0.008423 0.012376 34O 3s 0.156818 0.099883 0.786947 0.337447 -0.147039 -0.070190 34O 4s -0.512788 -0.644524 -2.003043 -1.011377 0.873176 -0.110392 34O 5s -0.221571 0.713155 1.015878 -0.144232 1.029106 -0.773167 34O 1pz -0.052452 0.147843 0.077022 0.045258 -0.027001 0.115691 34O 1px 0.055386 0.103315 0.005573 0.099765 -0.210750 0.096722 34O 1py -0.005276 -0.061230 -0.012500 0.011103 0.022190 -0.141653 34O 2pz 0.049675 -0.222246 -0.102856 -0.100507 0.068714 -0.201406 34O 2px -0.276626 -0.414648 -0.403032 -0.528247 0.911352 -0.401030 34O 2py 0.040149 0.140830 0.108662 0.004323 -0.150977 0.362654 34O 3pz -0.197390 0.536824 0.351437 0.074022 -0.204033 0.366109 34O 3px -0.197513 0.866071 -0.025510 0.187531 0.217777 0.105689 34O 3py 0.043248 -0.831954 -0.212135 -0.126711 0.382731 -0.386398 34O 1dz2 0.002858 -0.002177 -0.002418 0.006124 -0.009196 0.005483 34O 1dxz 0.003225 -0.003038 0.003227 -0.004002 0.003011 0.002472 34O 1dyz 0.000017 -0.001775 0.000580 -0.000885 -0.001740 0.009155 34O 1dx2y2 -0.007292 -0.002811 -0.005199 -0.005675 0.007024 -0.004281 34O 1dxy 0.001282 -0.004366 -0.005947 -0.000137 -0.000191 0.009120 34O 2dz2 0.039412 -0.085701 -0.068646 0.005411 -0.037960 0.032237 34O 2dxz -0.008840 0.029639 0.013873 -0.050456 -0.066755 -0.046032 34O 2dyz -0.002369 -0.014155 0.000808 -0.013978 0.018404 0.060192 34O 2dx2y2 -0.048379 0.030374 0.038365 -0.043130 0.103203 0.026857 34O 2dxy -0.036371 -0.112012 -0.045149 -0.042598 0.135300 0.099534 34O 1f0 0.011189 -0.017688 -0.024154 0.002324 -0.010028 -0.015921 34O 1f+1 0.005875 0.007863 0.014561 0.019202 -0.021707 0.003761 34O 1f-1 -0.003477 0.004586 -0.000558 0.001626 0.001757 -0.002358 34O 1f+2 -0.018693 0.021090 0.014174 -0.007417 0.003785 0.014378 34O 1f-2 0.004519 0.004546 -0.000076 0.006287 -0.018961 -0.017828 34O 1f+3 0.009002 0.006772 0.017180 0.017710 -0.019534 0.005881 34O 1f-3 -0.014330 0.012899 0.000977 0.011712 -0.000607 -0.013228 35O 1s 0.003868 -0.001881 -0.018285 0.001515 -0.012364 -0.001981 35O 2s 0.009768 -0.005997 -0.063913 0.004052 -0.042961 -0.007202 35O 3s -0.036801 0.067580 0.500460 -0.044281 0.392030 0.061672 35O 4s -0.354703 -0.243134 -1.095579 0.214015 -1.295106 -0.172939 35O 5s 1.752434 -0.497712 0.437782 0.141443 0.206790 -0.024484 35O 1pz 0.134442 -0.069035 0.023094 -0.017579 0.028865 0.036189 35O 1px 0.039961 0.057299 -0.045101 -0.049689 0.067587 -0.016616 35O 1py 0.073835 0.008930 -0.039737 -0.088046 0.161281 0.018596 35O 2pz -0.185627 0.091183 -0.048707 0.004770 -0.083073 -0.070716 35O 2px -0.089715 -0.240846 -0.070726 0.147284 -0.514332 -0.048009 35O 2py -0.094717 -0.039815 0.020793 0.254794 -0.472757 -0.080641 35O 3pz 0.655722 -0.341852 0.026529 0.018042 0.351247 0.340430 35O 3px 0.747756 -0.260210 -0.382434 -0.026092 -0.182443 0.102815 35O 3py 0.611591 -0.065214 -0.129231 0.060854 0.400783 0.203994 35O 1dz2 0.002099 0.001836 0.002102 -0.004696 0.005134 -0.007405 35O 1dxz 0.006903 0.000694 0.007455 -0.000571 0.006407 0.000042 35O 1dyz 0.011863 0.000189 0.000467 0.002269 -0.002226 0.003547 35O 1dx2y2 0.001771 -0.002378 -0.005151 0.004081 -0.004488 0.004581 35O 1dxy 0.005864 -0.004948 0.002265 0.005210 -0.000238 -0.004536 35O 2dz2 0.002657 0.040270 -0.025890 -0.031810 0.047908 -0.038122 35O 2dxz 0.108018 -0.016670 -0.015953 -0.024027 0.093056 0.011124 35O 2dyz 0.166461 0.002510 -0.034001 -0.011291 0.026448 -0.000145 35O 2dx2y2 0.001092 -0.064802 -0.000412 -0.056545 0.008136 0.001103 35O 2dxy 0.161330 -0.003952 0.011374 0.077840 0.024719 0.008875 35O 1f0 -0.020906 0.004609 -0.005154 0.000489 -0.004327 -0.012598 35O 1f+1 -0.004733 -0.001161 0.010368 -0.001511 0.004401 0.002843 35O 1f-1 -0.001985 -0.001185 0.009000 -0.008404 0.002520 0.003144 35O 1f+2 0.030377 -0.010951 0.004351 0.000258 0.009128 0.012866 35O 1f-2 0.007897 -0.005452 0.005135 -0.006882 0.005349 0.008263 35O 1f+3 0.011921 0.006007 0.015065 0.007513 0.031046 -0.011858 35O 1f-3 -0.006954 0.004542 0.004515 -0.008844 0.015308 0.011898 498 499 500 501 502 503 3.10500 3.11383 3.12598 3.13203 3.13780 3.14024 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s -0.002844 0.001879 0.000045 0.001825 0.002002 -0.000668 0Rh 2s 0.025344 -0.014427 0.000168 -0.017263 -0.011314 0.007739 0Rh 3s -0.001503 0.002398 0.000371 0.000365 0.005008 0.000741 0Rh 4s -0.134494 0.076538 -0.000801 0.091605 0.059785 -0.040229 0Rh 5s 0.281701 -0.150937 0.002810 -0.194885 -0.094930 0.079513 0Rh 6s -0.228088 0.084501 -0.005409 0.166938 -0.061801 -0.022663 0Rh 7s -0.015157 0.055462 0.002543 0.048830 1.099227 -0.508229 0Rh 8s 0.228244 -0.069636 0.054414 -0.165818 -0.303603 0.008729 0Rh 1pz 0.001226 -0.005207 -0.001163 -0.001920 -0.003135 0.001899 0Rh 1px 0.000884 0.001055 -0.000978 -0.001583 0.008284 -0.000791 0Rh 1py 0.000149 -0.001620 0.000395 -0.002551 0.001348 -0.000456 0Rh 2pz -0.005359 0.020238 0.004333 0.007103 0.011235 -0.006672 0Rh 2px -0.003235 -0.004027 0.003531 0.005867 -0.030660 0.002570 0Rh 2py -0.000829 0.006389 -0.001117 0.009677 -0.004913 0.001741 0Rh 3pz 0.025009 -0.049090 -0.006548 -0.009881 -0.007261 0.001195 0Rh 3px 0.003489 0.007786 -0.002875 -0.007686 0.041191 0.004197 0Rh 3py 0.007489 -0.017614 -0.006032 -0.018614 0.005577 -0.003457 0Rh 4pz -0.066393 0.053414 -0.006928 -0.012363 -0.060558 0.050126 0Rh 4px 0.012783 0.001554 -0.016178 -0.019702 0.075963 -0.039112 0Rh 4py -0.028203 0.027239 0.036460 0.003931 0.013030 0.000645 0Rh 5pz 0.130201 -0.079183 0.025134 0.010621 0.145577 -0.105973 0Rh 5px -0.047461 -0.024882 0.036646 0.105066 -0.253678 0.088064 0Rh 5py 0.060772 -0.052575 -0.079037 0.009215 -0.034205 0.005624 0Rh 6pz -0.530932 -0.907757 -0.246649 0.533191 -0.529937 -0.575492 0Rh 6px 0.630497 -0.075843 -0.046387 -1.903099 1.057444 -0.610748 0Rh 6py -0.188387 -0.167309 0.220772 -0.324903 -0.238515 -0.559105 0Rh 1dz2 -0.017108 -0.004054 -0.001113 -0.007174 0.011400 0.002042 0Rh 1dxz 0.007858 -0.011446 0.003645 -0.009660 0.001750 0.003006 0Rh 1dyz 0.006797 0.005304 0.025493 -0.000479 0.006841 0.003892 0Rh 1dx2y2 0.014769 -0.009473 0.001574 0.015382 -0.005003 -0.006299 0Rh 1dxy 0.006064 -0.005501 -0.004920 0.014092 -0.015378 -0.006937 0Rh 2dz2 -0.002199 -0.001831 -0.001540 -0.001520 0.001440 -0.001432 0Rh 2dxz 0.002138 -0.001014 0.000532 0.000523 -0.000193 -0.001528 0Rh 2dyz -0.000358 0.000173 0.002043 -0.001320 -0.000720 -0.000615 0Rh 2dx2y2 0.000063 -0.001088 0.001069 0.000943 -0.001197 0.002038 0Rh 2dxy 0.000249 -0.000020 -0.001717 0.001541 -0.002112 0.000357 0Rh 3dz2 0.063905 0.020938 0.010453 0.029859 -0.042687 -0.000141 0Rh 3dxz -0.034598 0.040822 -0.013944 0.028717 -0.004783 -0.002869 0Rh 3dyz -0.019758 -0.017777 -0.090139 0.007613 -0.018452 -0.009697 0Rh 3dx2y2 -0.046788 0.035203 -0.009771 -0.053542 0.021368 0.011127 0Rh 3dxy -0.020257 0.017621 0.023275 -0.051818 0.058582 0.020581 0Rh 4dz2 -0.052116 -0.028714 -0.022265 -0.036725 0.034896 -0.013494 0Rh 4dxz 0.043139 -0.029477 0.012949 -0.014079 0.000971 -0.011299 0Rh 4dyz 0.003601 0.012759 0.065947 -0.021379 -0.001584 -0.000871 0Rh 4dx2y2 0.016830 -0.031515 0.017511 0.045258 -0.023785 0.011410 0Rh 4dxy 0.010318 -0.008519 -0.030048 0.044707 -0.052908 -0.007882 0Rh 5dz2 -0.059996 0.007691 0.012599 0.043521 0.054871 -0.027352 0Rh 5dxz -0.064881 -0.030763 -0.003899 -0.018905 0.031300 -0.036185 0Rh 5dyz 0.023506 -0.022381 -0.013668 0.031232 0.081502 -0.000195 0Rh 5dx2y2 0.137950 0.010043 -0.052881 -0.031098 -0.034507 0.060737 0Rh 5dxy 0.029842 -0.034898 0.002341 -0.013023 -0.030594 0.005187 0Rh 1f0 -0.004166 -0.001818 0.009107 -0.004177 0.008556 -0.003570 0Rh 1f+1 0.014581 -0.006328 -0.015086 0.009865 -0.008963 -0.012821 0Rh 1f-1 0.005065 0.016760 0.003646 0.028432 0.002823 -0.009585 0Rh 1f+2 -0.003460 -0.023050 0.008173 0.003656 -0.025376 0.016295 0Rh 1f-2 -0.006164 0.005126 -0.014822 0.002800 -0.014246 0.004065 0Rh 1f+3 0.017152 -0.010361 -0.001430 0.019768 -0.007843 -0.006477 0Rh 1f-3 0.013542 -0.003990 0.005791 0.008647 -0.009474 -0.003663 1Rh 1s 0.002872 0.001854 -0.000017 -0.001675 0.002047 -0.000765 1Rh 2s -0.025585 -0.014246 -0.000366 0.015929 -0.011789 0.008696 1Rh 3s 0.001527 0.002361 -0.000326 -0.000282 0.004989 0.000745 1Rh 4s 0.135772 0.075575 0.001880 -0.084590 0.062302 -0.045300 1Rh 5s -0.284281 -0.149066 -0.005273 0.181160 -0.100455 0.090340 1Rh 6s 0.229744 0.083562 0.009057 -0.161610 -0.056435 -0.031987 1Rh 7s 0.014920 0.056722 -0.029076 -0.001674 1.100368 -0.503510 1Rh 8s -0.228282 -0.062293 -0.051408 0.161726 -0.299447 0.031172 1Rh 1pz 0.001470 0.005130 -0.001152 -0.001533 0.003016 -0.002307 1Rh 1px 0.000956 -0.001020 -0.000892 -0.001779 -0.008322 0.000842 1Rh 1py 0.000091 0.001650 0.000395 -0.002520 -0.001023 0.000174 1Rh 2pz -0.006304 -0.019918 0.004255 0.005670 -0.010841 0.008209 1Rh 2px -0.003511 0.003901 0.003230 0.006567 0.030795 -0.002743 1Rh 2py -0.000605 -0.006505 -0.001125 0.009576 0.003654 -0.000748 1Rh 3pz 0.027275 0.047942 -0.005564 -0.007873 0.007713 -0.003951 1Rh 3px 0.004091 -0.007674 -0.002845 -0.008102 -0.041257 -0.004220 1Rh 3py 0.007000 0.017863 -0.005788 -0.018763 -0.002632 0.003205 1Rh 4pz -0.068870 -0.050941 -0.010772 -0.009638 0.055299 -0.050395 1Rh 4px 0.012291 -0.000931 -0.013900 -0.023723 -0.076620 0.040475 1Rh 4py -0.027953 -0.027347 0.035215 0.005322 -0.015898 -0.007732 1Rh 5pz 0.134064 0.074879 0.033000 0.004347 -0.133562 0.108314 1Rh 5px -0.046684 0.022818 0.031604 0.115629 0.254271 -0.088621 1Rh 5py 0.061241 0.052389 -0.076361 0.006825 0.037576 0.010896 1Rh 6pz -0.510847 0.912115 -0.214181 0.510795 0.481682 0.567433 1Rh 6px 0.639550 0.093973 -0.024423 -1.952638 -1.037930 0.528790 1Rh 6py -0.215764 0.174923 0.270832 -0.368344 0.271106 0.485557 1Rh 1dz2 0.017021 -0.004714 0.000204 0.007142 0.013127 0.002713 1Rh 1dxz -0.007963 -0.011443 -0.004026 0.009112 -0.000120 0.002770 1Rh 1dyz -0.006790 0.006367 -0.025906 0.000348 0.006781 0.004532 1Rh 1dx2y2 -0.014889 -0.008708 -0.002316 -0.015090 -0.005098 -0.006199 1Rh 1dxy -0.006016 -0.005094 0.004468 -0.013573 -0.015006 -0.009736 1Rh 2dz2 0.002162 -0.001917 0.001340 0.001598 0.001737 -0.001293 1Rh 2dxz -0.002105 -0.000953 -0.000647 -0.000430 -0.000511 -0.001723 1Rh 2dyz 0.000390 0.000315 -0.002031 0.001365 -0.000745 -0.000352 1Rh 2dx2y2 -0.000069 -0.001045 -0.001066 -0.001105 -0.001250 0.002220 1Rh 2dxy -0.000242 0.000025 0.001710 -0.001581 -0.002125 -0.000101 1Rh 3dz2 -0.063466 0.023410 -0.006686 -0.030104 -0.049524 -0.002922 1Rh 3dxz 0.034785 0.040541 0.015665 -0.027384 0.002608 -0.001237 1Rh 3dyz 0.019597 -0.021792 0.091362 -0.007385 -0.018156 -0.012929 1Rh 3dx2y2 0.047195 0.032588 0.012134 0.053335 0.021899 0.010008 1Rh 3dxy 0.020074 0.016129 -0.021816 0.050350 0.057442 0.031542 1Rh 4dz2 0.051528 -0.030735 0.018616 0.037470 0.041589 -0.010236 1Rh 4dxz -0.042870 -0.028653 -0.014876 0.014225 -0.006305 -0.014250 1Rh 4dyz -0.003198 0.016302 -0.065715 0.021517 -0.001875 0.003912 1Rh 4dx2y2 -0.017147 -0.029843 -0.018850 -0.046582 -0.024564 0.013689 1Rh 4dxy -0.010128 -0.007306 0.029467 -0.044409 -0.052258 -0.018368 1Rh 5dz2 0.060324 0.005175 -0.018557 -0.038552 0.052266 -0.030854 1Rh 5dxz 0.064054 -0.033434 0.002056 0.020119 0.033899 -0.030316 1Rh 5dyz -0.023695 -0.022951 -0.000352 -0.027787 0.078549 -0.005472 1Rh 5dx2y2 -0.137691 0.013388 0.054078 0.025903 -0.033626 0.057989 1Rh 5dxy -0.030252 -0.034462 -0.006041 0.013972 -0.031981 0.007579 1Rh 1f0 -0.003888 0.001812 0.009892 -0.005136 -0.007689 0.003742 1Rh 1f+1 0.014423 0.006087 -0.015240 0.008991 0.009290 0.012007 1Rh 1f-1 0.004296 -0.017178 0.004242 0.026236 -0.002599 0.010662 1Rh 1f+2 -0.002107 0.022584 0.008412 0.006136 0.024833 -0.015053 1Rh 1f-2 -0.006207 -0.004700 -0.016338 0.003110 0.015554 -0.003453 1Rh 1f+3 0.017048 0.009352 -0.001017 0.019794 0.006555 0.006141 1Rh 1f-3 0.013157 0.003243 0.006957 0.008125 0.010358 0.004760 2C 1s -0.001664 -0.010672 0.005162 0.007323 -0.021614 0.008786 2C 2s -0.006642 -0.029437 0.014378 0.017555 -0.060753 0.026589 2C 3s -0.041253 -0.190130 0.093291 0.350863 -0.111329 0.020353 2C 4s 0.552143 1.856921 -0.904898 -2.378263 2.074097 -0.617055 2C 5s 0.151126 1.090711 -0.020289 0.251256 1.489436 -1.182651 2C 1pz 0.020150 -0.047514 -0.025203 0.155411 -0.084101 -0.014428 2C 1px 0.021799 0.016840 -0.001333 -0.080067 0.031027 -0.006329 2C 1py 0.008541 -0.064239 0.082187 0.033196 0.009273 0.052826 2C 2pz 0.399910 0.540318 0.042254 -1.372933 0.448310 0.180299 2C 2px 0.165846 -0.054250 -0.098148 0.599897 -0.467918 0.155408 2C 2py 0.310913 0.732348 -0.677333 -0.511427 -0.120553 -0.250944 2C 3pz -0.014566 0.058405 0.263101 -0.005879 0.633232 -0.313000 2C 3px 0.332455 0.483771 -0.260946 -0.094264 0.227022 0.066454 2C 3py 0.172898 0.503935 -0.453033 -0.016077 0.196206 -0.474626 2C 1dz2 0.230110 0.411026 -0.446680 0.085360 -0.255507 -0.091079 2C 1dxz -0.156429 -0.264263 0.203209 0.072124 0.032232 -0.001771 2C 1dyz -0.140493 -0.308461 0.308871 -0.015154 0.036039 0.204585 2C 1dx2y2 -0.217366 -0.211914 0.070436 -0.022980 0.068638 -0.188360 2C 1dxy -0.120149 -0.079672 -0.141219 0.124853 -0.113087 -0.239404 2C 2dz2 -0.021783 -0.225171 0.479593 -0.520755 0.358816 0.153550 2C 2dxz -0.013134 0.277850 -0.273692 -0.034068 -0.104206 0.139256 2C 2dyz 0.447963 0.499102 -0.488212 -0.146144 -0.193504 -0.318868 2C 2dx2y2 0.267228 0.034686 -0.071738 0.467942 -0.261682 0.061219 2C 2dxy 0.053473 -0.079048 0.304090 -0.035927 0.138129 0.355763 2C 1f0 0.008036 -0.077683 0.069002 -0.028685 0.048487 0.002416 2C 1f+1 0.009724 0.135198 -0.026175 -0.150019 0.086096 0.094148 2C 1f-1 0.086290 -0.064633 0.030061 0.016404 -0.045495 -0.047864 2C 1f+2 -0.055772 -0.103395 0.094576 0.024535 -0.041158 0.074045 2C 1f-2 0.014671 0.160965 -0.067750 -0.113328 0.080679 0.063274 2C 1f+3 0.046511 0.065448 -0.055117 -0.034777 -0.052930 0.017192 2C 1f-3 0.039006 0.032588 -0.001710 -0.020622 -0.012713 -0.036621 3C 1s -0.003005 -0.006776 0.000349 0.000989 -0.012452 0.010534 3C 2s -0.008886 -0.019753 0.001719 0.001472 -0.036500 0.030074 3C 3s -0.130174 0.041142 -0.061403 0.133377 0.125410 0.184584 3C 4s 1.061102 0.173253 0.221660 -0.634947 0.215627 -1.623236 3C 5s 0.314904 0.163776 0.659028 -0.361694 1.116499 -1.648313 3C 1pz -0.036964 0.009204 -0.031356 0.034850 0.030549 0.066342 3C 1px -0.002537 0.011718 -0.009614 -0.092419 -0.009631 0.012845 3C 1py 0.010278 0.001591 0.015289 -0.097640 -0.026133 -0.051080 3C 2pz 0.516957 -0.227821 0.146843 -0.196011 -0.147342 -0.595152 3C 2px 0.307113 -0.177340 0.118814 0.694439 -0.157791 -0.079600 3C 2py -0.498465 0.099640 -0.102801 0.617172 0.516882 0.317854 3C 3pz 0.131377 -0.000145 0.002748 0.084537 0.245677 -0.421551 3C 3px 0.463217 0.090360 0.473361 0.040187 -0.250735 -0.405023 3C 3py 0.038062 -0.066566 -0.025685 0.180013 -0.524425 0.411790 3C 1dz2 0.011882 0.092583 -0.054066 -0.163595 -0.038431 0.185256 3C 1dxz 0.126039 0.000843 0.083047 0.098156 -0.119599 0.037646 3C 1dyz 0.007595 0.010690 -0.035611 0.023646 0.094503 -0.101514 3C 1dx2y2 -0.223622 0.015135 -0.207071 -0.067255 0.257090 0.019009 3C 1dxy 0.402191 0.003245 0.281890 0.097027 -0.292958 -0.187764 3C 2dz2 0.112209 -0.127696 0.066554 0.233833 0.058429 -0.277081 3C 2dxz -0.184679 0.033205 -0.057098 -0.282914 0.112404 -0.021521 3C 2dyz -0.291589 0.033230 -0.005658 0.095510 0.141470 0.311702 3C 2dx2y2 -0.038126 0.079867 0.156230 0.294261 -0.074965 0.078660 3C 2dxy -0.459780 0.103514 -0.264758 -0.424621 0.281995 0.172059 3C 1f0 -0.049214 0.003069 0.010952 0.003935 0.069755 -0.008287 3C 1f+1 0.006517 -0.000664 0.008107 -0.034015 -0.013427 -0.024200 3C 1f-1 0.062069 0.039104 0.025102 -0.035508 -0.010323 0.018718 3C 1f+2 0.023601 0.007565 0.063751 -0.025184 -0.061690 0.024141 3C 1f-2 -0.071234 -0.031266 -0.113492 0.036418 0.051420 0.067322 3C 1f+3 0.083264 0.001406 0.003574 -0.003838 -0.027840 -0.018649 3C 1f-3 -0.047431 0.017202 0.072197 -0.010138 -0.045139 0.011120 4C 1s 0.005858 -0.001174 -0.000027 0.002642 -0.003366 0.003171 4C 2s 0.016809 -0.005470 0.000738 0.009988 -0.010278 0.007339 4C 3s 0.374379 0.178872 -0.148061 -0.121782 0.138164 -0.240688 4C 4s -2.159379 -0.724246 0.666568 0.537347 -0.360855 0.670160 4C 5s -1.561336 -0.351481 0.161173 -0.772198 -0.799807 0.815967 4C 1pz -0.012692 -0.097338 0.047006 0.140786 -0.098794 -0.001219 4C 1px 0.047679 -0.006263 0.032934 0.043696 -0.031140 -0.017329 4C 1py 0.014088 -0.041363 0.006639 0.105096 -0.084324 -0.027918 4C 2pz 0.089580 1.105109 -0.395221 -1.976792 0.860872 -0.192547 4C 2px -0.611098 -0.099213 -0.209061 0.684953 -0.461985 0.374816 4C 2py -0.222315 0.486709 -0.080304 -0.994175 0.473744 0.195355 4C 3pz -0.407867 1.174733 -0.432757 -0.384979 1.398889 -0.920335 4C 3px -0.213353 -1.028057 0.530040 1.068138 -0.637733 -0.729140 4C 3py -0.380947 0.148596 0.443014 0.161072 0.856286 -0.532291 4C 1dz2 -0.008108 0.071363 -0.076770 0.011188 -0.058642 0.021227 4C 1dxz 0.053339 0.013275 -0.028309 -0.034773 -0.038130 -0.173445 4C 1dyz 0.182532 0.048143 -0.023248 -0.017392 -0.088354 0.050025 4C 1dx2y2 0.198049 0.133022 -0.145299 0.065156 -0.017927 -0.149928 4C 1dxy 0.082292 -0.204146 0.114916 0.042572 0.037419 -0.104624 4C 2dz2 0.147365 -0.411920 0.415275 -0.053085 0.096741 -0.214831 4C 2dxz -0.374279 -0.444585 0.108353 0.954895 -0.377435 0.503058 4C 2dyz -0.545968 -0.325627 0.146517 0.292187 -0.034755 -0.134287 4C 2dx2y2 -0.482525 0.042994 0.256085 -0.518547 0.316013 0.497253 4C 2dxy -0.592751 0.124331 -0.237820 0.507549 -0.349384 0.405600 4C 1f0 0.099992 0.085903 -0.108169 0.040096 -0.056890 -0.032663 4C 1f+1 0.065971 -0.027813 -0.044576 0.029421 -0.004313 -0.092653 4C 1f-1 0.113494 0.089604 -0.049412 -0.044348 0.111507 -0.174510 4C 1f+2 -0.115278 -0.032268 0.028094 -0.063789 -0.011630 -0.020200 4C 1f-2 -0.038014 -0.041917 0.046748 -0.014800 0.062619 -0.003148 4C 1f+3 -0.036108 -0.014708 0.070528 -0.088155 0.091502 -0.069448 4C 1f-3 0.095423 -0.095997 0.088622 0.019500 -0.030723 -0.035103 5C 1s 0.001724 0.002985 0.001320 0.001548 -0.002067 0.005809 5C 2s 0.004895 0.008537 0.002020 0.005698 -0.004333 0.016552 5C 3s 0.158520 -0.045573 0.206270 -0.123807 -0.166392 -0.423043 5C 4s -0.889927 0.214609 -0.972034 0.403323 0.876285 1.399179 5C 5s -0.217935 -0.235156 -1.319691 -0.007235 -0.428411 1.046380 5C 1pz -0.018515 -0.022139 0.016627 0.034825 -0.008008 0.002847 5C 1px 0.008193 -0.002251 -0.040090 0.011613 -0.003759 -0.001609 5C 1py 0.059486 0.013287 -0.010333 -0.019187 0.029066 -0.032074 5C 2pz 0.480384 0.030580 -0.144488 -0.632069 -0.102587 -0.373461 5C 2px -0.227015 -0.105478 0.006452 0.816512 0.239077 0.270140 5C 2py -0.739325 0.096594 0.137770 0.526426 0.072892 0.654338 5C 3pz 0.007979 0.096284 0.182671 -0.469184 0.552788 -0.679797 5C 3px -0.473934 -0.288313 -0.885117 0.377927 1.002342 -0.096256 5C 3py -0.463287 -0.065966 -0.082612 0.129456 -0.909707 1.390099 5C 1dz2 0.026826 0.018483 -0.002990 -0.003303 -0.063113 0.123745 5C 1dxz -0.096414 -0.048578 -0.184288 -0.024146 0.149825 0.138999 5C 1dyz -0.085564 0.006820 -0.069239 -0.020994 0.124603 -0.061619 5C 1dx2y2 -0.001606 0.016239 0.002366 -0.056648 0.004319 -0.005112 5C 1dxy -0.117645 0.025116 0.003905 0.050593 0.109344 0.109102 5C 2dz2 0.122809 0.044636 0.151438 -0.315358 -0.119895 -0.404942 5C 2dxz -0.091938 0.006883 0.252863 0.633457 -0.033421 -0.067003 5C 2dyz 0.177057 0.010767 0.234352 0.248349 -0.243381 0.095815 5C 2dx2y2 0.038871 -0.140937 0.018954 0.498895 0.137344 0.062682 5C 2dxy 0.617370 -0.135999 -0.067981 -0.639529 -0.310019 -0.552654 5C 1f0 -0.028898 0.017100 0.097957 0.039764 -0.135735 0.146090 5C 1f+1 -0.049535 0.006925 -0.021172 -0.069074 -0.048912 0.029314 5C 1f-1 0.008735 -0.019757 -0.013648 0.058476 0.034253 -0.023634 5C 1f+2 -0.107942 -0.034464 -0.040751 -0.059560 0.015616 0.049656 5C 1f-2 0.008954 -0.036619 -0.029957 -0.014621 -0.036344 0.027745 5C 1f+3 0.012647 0.048850 -0.028017 -0.058536 0.032134 -0.071425 5C 1f-3 -0.122185 -0.009218 -0.081116 -0.056299 0.067914 0.094512 6C 1s -0.001728 0.003080 -0.000616 -0.002122 -0.002000 0.006147 6C 2s -0.004912 0.008770 0.000106 -0.007421 -0.004083 0.017337 6C 3s -0.155693 -0.036859 -0.214791 0.159378 -0.177045 -0.387045 6C 4s 0.876009 0.163467 0.968919 -0.511815 0.929191 1.225155 6C 5s 0.206914 -0.269743 1.291721 -0.061934 -0.344322 0.891678 6C 1pz -0.017711 0.022402 0.019200 0.036983 0.009896 0.000127 6C 1px 0.007243 0.002716 -0.040141 0.012595 0.004109 0.002064 6C 1py 0.058265 -0.015680 -0.011520 -0.024047 -0.025984 0.035923 6C 2pz 0.472572 -0.037637 -0.148527 -0.686339 0.128996 0.360475 6C 2px -0.227423 0.102687 0.025105 0.830479 -0.242077 -0.211500 6C 2py -0.726149 -0.077437 0.123408 0.608422 -0.138208 -0.713075 6C 3pz -0.003975 -0.091499 0.200743 -0.561885 -0.568096 0.645759 6C 3px -0.451577 0.322855 -0.864522 0.393920 -0.978676 0.141645 6C 3py -0.448106 0.075912 -0.118494 0.274141 0.865368 -1.467592 6C 1dz2 -0.022143 0.018270 0.003659 -0.000900 -0.054444 0.123135 6C 1dxz 0.085284 -0.053386 0.184514 0.011303 0.149374 0.142650 6C 1dyz 0.084276 0.002598 0.062390 0.025352 0.124141 -0.080636 6C 1dx2y2 -0.001379 0.016299 0.002649 0.055807 0.007114 0.016641 6C 1dxy 0.112519 0.022735 -0.006864 -0.057550 0.115160 0.114882 6C 2dz2 -0.125283 0.048212 -0.144396 0.335685 -0.144010 -0.387640 6C 2dxz 0.097808 0.014541 -0.261042 -0.637581 -0.031691 -0.105816 6C 2dyz -0.172040 0.025567 -0.218211 -0.250083 -0.234087 0.148512 6C 2dx2y2 -0.031083 -0.129681 -0.041028 -0.493064 0.133856 -0.014036 6C 2dxy -0.610426 -0.122802 0.077200 0.685447 -0.343016 -0.536803 6C 1f0 -0.029108 -0.019298 0.095814 0.051860 0.131360 -0.148584 6C 1f+1 -0.047475 -0.002475 -0.025300 -0.065192 0.045568 -0.044225 6C 1f-1 0.009865 0.019695 -0.009292 0.058209 -0.026933 0.034178 6C 1f+2 -0.104208 0.040439 -0.034067 -0.052925 -0.010461 -0.048511 6C 1f-2 0.008550 0.036253 -0.027684 -0.011583 0.039159 -0.018247 6C 1f+3 0.013952 -0.047474 -0.034234 -0.061186 -0.027189 0.067953 6C 1f-3 -0.119753 0.016150 -0.076847 -0.050352 -0.072216 -0.092576 7C 1s -0.005819 -0.001055 -0.000201 -0.002845 -0.003770 0.002902 7C 2s -0.016693 -0.005173 -0.001616 -0.010563 -0.011387 0.006476 7C 3s -0.375354 0.191869 0.139369 0.156541 0.120140 -0.238479 7C 4s 2.165472 -0.787665 -0.616278 -0.657641 -0.258506 0.674896 7C 5s 1.556775 -0.401659 -0.089774 0.659624 -0.674139 0.980404 7C 1pz -0.012349 0.096672 0.045646 0.146673 0.102162 0.011045 7C 1px 0.046907 0.004423 0.033933 0.041947 0.031230 0.019108 7C 1py 0.013610 0.040938 0.005387 0.107095 0.084337 0.038912 7C 2pz 0.090623 -1.082439 -0.387734 -2.038892 -0.910219 0.063463 7C 2px -0.615756 0.108691 -0.242091 0.738643 0.449997 -0.330915 7C 2py -0.220557 -0.474019 -0.079845 -1.008093 -0.481874 -0.277717 7C 3pz -0.417258 -1.144666 -0.416913 -0.475860 -1.424882 0.902733 7C 3px -0.209751 1.018349 0.569353 1.053396 0.603848 0.820405 7C 3py -0.381987 -0.144016 0.478869 0.113992 -0.849599 0.501199 7C 1dz2 0.008735 0.072006 0.083978 -0.014997 -0.051186 0.023314 7C 1dxz -0.049796 0.007954 0.021723 0.044063 -0.020275 -0.173563 7C 1dyz -0.181188 0.048084 0.021064 0.011602 -0.100861 0.043204 7C 1dx2y2 -0.191662 0.133656 0.140702 -0.052987 -0.015124 -0.160475 7C 1dxy -0.090450 -0.192310 -0.127553 -0.027818 0.025159 -0.107464 7C 2dz2 -0.149455 -0.406949 -0.447890 0.077361 0.080121 -0.213332 7C 2dxz 0.368551 -0.433006 -0.086677 -1.007942 -0.411225 0.453607 7C 2dyz 0.543762 -0.337064 -0.139772 -0.299680 0.009836 -0.143359 7C 2dx2y2 0.469580 0.031583 -0.240613 0.480838 0.308512 0.557612 7C 2dxy 0.608057 0.107608 0.278724 -0.556778 -0.319486 0.370716 7C 1f0 0.095588 -0.084764 -0.106076 0.037571 0.061350 0.041065 7C 1f+1 0.066814 0.025084 -0.040597 0.020708 0.004232 0.101793 7C 1f-1 0.112660 -0.090272 -0.038543 -0.062641 -0.109438 0.168222 7C 1f+2 -0.114668 0.034707 0.023727 -0.062685 0.000084 0.021796 7C 1f-2 -0.036572 0.040268 0.049227 -0.015875 -0.062780 0.001954 7C 1f+3 -0.036275 0.014241 0.077088 -0.094933 -0.091459 0.064733 7C 1f-3 0.095587 0.090223 0.096856 0.013529 0.034235 0.033954 8C 1s 0.002886 -0.006950 -0.000781 -0.002123 -0.013086 0.010055 8C 2s 0.008544 -0.020250 -0.003119 -0.004642 -0.038424 0.028625 8C 3s 0.128095 0.036862 0.069596 -0.154339 0.142665 0.184897 8C 4s -1.038678 0.215961 -0.220541 0.815760 0.179026 -1.587745 8C 5s -0.299185 0.174336 -0.691098 0.530172 1.034531 -1.622293 8C 1pz -0.036890 -0.007560 -0.034706 0.039888 -0.038373 -0.074281 8C 1px -0.002054 -0.009523 -0.011396 -0.091021 0.008586 -0.021368 8C 1py 0.009893 -0.000576 0.018492 -0.105354 0.030131 0.044248 8C 2pz 0.512764 0.208187 0.171683 -0.243807 0.223557 0.653371 8C 2px 0.298706 0.148583 0.122202 0.685159 0.169642 0.123994 8C 2py -0.488983 -0.089923 -0.101900 0.666374 -0.553846 -0.263483 8C 3pz 0.131699 -0.004533 0.016421 0.055847 -0.207694 0.474017 8C 3px 0.442854 -0.118247 0.464639 -0.005490 0.251001 0.406283 8C 3py 0.038390 0.060997 -0.027951 0.224570 0.516095 -0.369809 8C 1dz2 -0.013376 0.088166 0.066836 0.160915 -0.015309 0.254137 8C 1dxz -0.120867 0.008615 -0.077949 -0.099043 -0.112360 0.038596 8C 1dyz -0.010094 0.010411 0.032165 -0.016905 0.090346 -0.112218 8C 1dx2y2 0.216969 0.001135 0.205476 0.062980 0.254426 0.021388 8C 1dxy -0.385018 0.025960 -0.274343 -0.075584 -0.291947 -0.205999 8C 2dz2 -0.109296 -0.116229 -0.084741 -0.223012 0.020784 -0.372252 8C 2dxz 0.180982 0.019090 0.047155 0.287547 0.097931 -0.012813 8C 2dyz 0.289665 0.025145 0.003460 -0.119368 0.162943 0.314516 8C 2dx2y2 0.040760 0.085581 -0.152188 -0.305368 -0.049169 0.073191 8C 2dxy 0.443583 0.073105 0.262868 0.405055 0.293177 0.218318 8C 1f0 -0.048049 -0.001926 0.016214 0.000899 -0.070003 0.009040 8C 1f+1 0.005493 0.000570 0.007746 -0.035691 0.014309 0.026474 8C 1f-1 0.060102 -0.040814 0.021964 -0.038522 0.008839 -0.033655 8C 1f+2 0.021036 -0.008925 0.066009 -0.026103 0.061547 -0.021487 8C 1f-2 -0.066844 0.036004 -0.112582 0.046205 -0.050402 -0.069816 8C 1f+3 0.081694 -0.003582 0.001733 -0.008762 0.030341 0.013307 8C 1f-3 -0.048759 -0.016269 0.073653 -0.009132 0.041441 -0.007874 9C 1s 0.001584 -0.010784 -0.004431 -0.008840 -0.021321 0.007546 9C 2s 0.006400 -0.029786 -0.012115 -0.021908 -0.059755 0.023228 9C 3s 0.042376 -0.189555 -0.095105 -0.364068 -0.116671 0.001004 9C 4s -0.552919 1.861040 0.858078 2.538597 2.064127 -0.422476 9C 5s -0.137181 1.092735 -0.016687 -0.123102 1.446069 -1.250794 9C 1pz 0.019371 0.046941 -0.025490 0.159031 0.083085 0.026115 9C 1px 0.022495 -0.016766 -0.002065 -0.080697 -0.031821 0.003117 9C 1py 0.009360 0.064040 0.085492 0.039772 -0.000176 -0.056771 9C 2pz 0.406014 -0.539247 0.053598 -1.391299 -0.427550 -0.273442 9C 2px 0.157577 0.053072 -0.094374 0.616850 0.488039 -0.133135 9C 2py 0.308331 -0.726670 -0.693615 -0.546032 0.088167 0.266429 9C 3pz -0.013595 -0.064645 0.294769 -0.047261 -0.605604 0.302488 9C 3px 0.323907 -0.474392 -0.254171 -0.102587 -0.193049 -0.083220 9C 3py 0.167499 -0.498238 -0.451951 -0.056401 -0.222557 0.510212 9C 1dz2 -0.220178 0.405864 0.470236 -0.082147 -0.234606 -0.117296 9C 1dxz 0.145195 -0.251022 -0.201024 -0.076283 0.030653 -0.004091 9C 1dyz 0.132911 -0.304026 -0.314842 -0.002950 0.018485 0.215658 9C 1dx2y2 0.210128 -0.211578 -0.080226 0.035193 0.101765 -0.188066 9C 1dxy 0.126776 -0.089782 0.140622 -0.111264 -0.068664 -0.270981 9C 2dz2 0.011180 -0.223082 -0.508190 0.518643 0.327005 0.209674 9C 2dxz 0.024479 0.264818 0.283889 0.029521 -0.091730 0.129860 9C 2dyz -0.438182 0.497261 0.489874 0.181308 -0.175803 -0.334151 9C 2dx2y2 -0.255502 0.041055 0.078167 -0.472166 -0.298028 0.033889 9C 2dxy -0.066315 -0.068525 -0.305972 -0.001267 0.076783 0.398623 9C 1f0 0.008511 0.078180 0.076677 -0.028576 -0.037757 -0.002333 9C 1f+1 0.008833 -0.134019 -0.028472 -0.147666 -0.075223 -0.101573 9C 1f-1 0.087157 0.062846 0.039148 0.012530 0.049203 0.046490 9C 1f+2 -0.055393 0.103769 0.095648 0.032424 0.049928 -0.071713 9C 1f-2 0.012587 -0.158366 -0.071534 -0.113153 -0.075604 -0.073536 9C 1f+3 0.044682 -0.063518 -0.058788 -0.031345 0.049435 -0.019023 9C 1f-3 0.039622 -0.033374 -0.003056 -0.023954 0.010039 0.032914 10H 1s -0.014134 0.080132 -0.012598 -0.140078 0.092016 0.044392 10H 2s -0.311599 -0.380026 0.309728 -0.190567 -0.306409 0.301800 10H 3s -0.130814 -0.154670 0.069380 -0.045103 0.056145 -0.047065 10H 1pz -0.051751 -0.017291 0.085787 -0.157331 0.015730 0.102874 10H 1px 0.048674 0.156528 -0.076057 -0.127815 0.266413 -0.124492 10H 1py 0.000293 0.043672 -0.036596 -0.070410 -0.029926 -0.008106 11H 1s -0.011197 0.005251 0.041821 -0.031751 0.083141 -0.027878 11H 2s 0.193639 -0.558308 0.432265 0.442804 -0.707068 0.370696 11H 3s 0.033047 -0.034144 0.045554 -0.055098 0.184927 0.047116 11H 1pz 0.046960 -0.237183 0.173406 0.203878 -0.241778 0.111832 11H 1px 0.081306 -0.084609 0.007679 0.147751 -0.251308 0.056481 11H 1py 0.031054 0.060747 -0.037214 0.031785 0.138915 -0.100282 12H 1s 0.000794 0.020435 -0.065578 0.036926 -0.004308 -0.075948 12H 2s 0.257603 -0.092918 -0.262893 0.608613 -1.042783 0.010479 12H 3s 0.120782 0.167252 -0.230367 -0.068938 0.042020 -0.100249 12H 1pz 0.038552 -0.008137 -0.066729 0.136188 -0.021323 -0.115111 12H 1px 0.076454 -0.051058 0.023165 0.124690 -0.172904 0.005744 12H 1py 0.051097 -0.125327 -0.015599 0.227950 -0.402524 0.076348 13H 1s 0.015041 0.017928 0.031375 -0.091581 -0.014610 -0.023311 13H 2s -0.232572 -0.173424 -0.131264 -0.232677 -0.134227 0.321665 13H 3s -0.118242 -0.008391 -0.207221 0.034038 0.183385 0.037019 13H 1pz 0.000967 -0.067349 0.003045 -0.015618 -0.105754 0.098694 13H 1px 0.085133 0.067656 0.013315 -0.039885 0.068044 -0.140512 13H 1py 0.012568 -0.007766 -0.008755 0.152706 0.015056 -0.005092 14H 1s 0.035472 -0.008342 -0.001878 0.081484 0.021269 -0.029468 14H 2s 0.258303 -0.344587 0.030033 0.523768 -0.372147 0.190528 14H 3s 0.162084 0.057451 0.087659 0.061783 -0.124837 -0.108698 14H 1pz 0.018115 -0.084768 -0.008259 0.125104 -0.063042 0.090676 14H 1px 0.038978 -0.121221 -0.012040 0.127029 -0.135423 0.111855 14H 1py -0.057159 0.003463 0.047259 -0.170684 -0.081127 0.056631 15H 1s -0.035397 0.020601 -0.008321 -0.052124 0.048031 -0.056592 15H 2s -0.112332 -0.065159 -0.085308 0.017616 -0.453271 0.520597 15H 3s -0.030245 0.006768 -0.030680 -0.010488 0.121504 0.005053 15H 1pz -0.021703 0.053882 -0.026515 -0.008638 0.167797 -0.103760 15H 1px 0.040481 -0.005934 0.036734 0.061037 -0.067287 0.018701 15H 1py 0.099468 0.031814 0.038818 -0.009833 0.145710 -0.217971 16H 1s 0.010488 -0.013397 0.001186 -0.016377 0.018249 -0.020615 16H 2s 0.328901 0.254869 -0.077510 -0.673411 0.347223 0.270998 16H 3s -0.060098 -0.015053 -0.002481 0.142642 -0.015779 0.009432 16H 1pz 0.133387 0.092937 -0.035645 -0.287426 0.145341 0.093290 16H 1px 0.002899 0.001411 0.008639 -0.021784 0.018376 0.003994 16H 1py 0.019154 0.015737 -0.012187 -0.055561 0.015059 0.017189 17H 1s -0.009302 -0.016001 -0.001226 -0.012880 0.009138 -0.020496 17H 2s 0.371252 0.240103 0.046941 -0.579739 0.398331 0.232743 17H 3s -0.090410 0.000057 -0.028819 0.133249 -0.029428 0.026407 17H 1pz -0.110261 -0.059778 -0.007470 0.197826 -0.130478 -0.059863 17H 1px -0.107186 -0.063603 -0.017854 0.133721 -0.098903 -0.057710 17H 1py 0.047892 0.035289 0.020942 -0.070486 0.049304 0.028485 18H 1s 0.009158 -0.016702 -0.001072 0.014962 0.008871 -0.020348 18H 2s -0.368988 0.240016 -0.030035 0.567638 0.385460 0.253106 18H 3s 0.091749 -0.000914 0.028932 -0.135738 -0.027797 0.017144 18H 1pz -0.111586 0.059548 -0.003834 0.197732 0.127213 0.067414 18H 1px -0.106109 0.064441 -0.014055 0.129874 0.094833 0.062495 18H 1py 0.044203 -0.033096 0.018751 -0.063650 -0.044062 -0.029315 19H 1s -0.011262 -0.013910 -0.002425 0.017022 0.016716 -0.019292 19H 2s -0.324185 0.253139 0.091002 0.664936 0.331810 0.297425 19H 3s 0.058230 -0.014641 0.001813 -0.143757 -0.014639 0.001151 19H 1pz 0.130946 -0.091056 -0.039800 -0.283898 -0.138153 -0.104816 19H 1px 0.002114 0.000394 0.008275 -0.019500 -0.017018 -0.003387 19H 1py 0.022219 -0.018038 -0.013388 -0.061484 -0.017781 -0.023512 20H 1s 0.036010 0.018152 0.007399 0.058349 0.050650 -0.050106 20H 2s 0.110759 -0.075316 0.100335 -0.065724 -0.435369 0.558067 20H 3s 0.028714 0.006529 0.035316 0.011022 0.134183 0.026626 20H 1pz -0.021768 -0.053207 -0.029406 -0.018549 -0.176219 0.098574 20H 1px 0.038571 0.002831 0.032836 0.063310 0.064891 -0.017474 20H 1py 0.097924 -0.037492 0.044442 -0.032302 -0.136781 0.229402 21H 1s -0.035830 -0.004576 0.002026 -0.079664 0.019035 -0.039048 21H 2s -0.255477 -0.325623 -0.038356 -0.554651 -0.401982 0.122419 21H 3s -0.154117 0.066301 -0.081306 -0.053789 -0.118876 -0.122705 21H 1pz 0.019858 0.083341 -0.004719 0.137954 0.073031 -0.075027 21H 1px 0.039198 0.117872 -0.009427 0.140997 0.143054 -0.101026 21H 1py -0.056670 0.001117 0.050055 -0.168043 0.080941 -0.068041 22H 1s -0.014470 0.017415 -0.032041 0.095445 -0.016394 -0.017216 22H 2s 0.223157 -0.193456 0.113191 0.195830 -0.166488 0.301886 22H 3s 0.111615 -0.015187 0.204788 -0.040800 0.185122 0.027640 22H 1pz 0.002119 0.067894 0.007043 -0.004264 0.116231 -0.086204 22H 1px 0.082977 -0.071860 0.008533 -0.055057 -0.072242 0.138281 22H 1py 0.012639 0.002672 -0.010830 0.153706 -0.022732 0.012296 23H 1s 0.000156 0.021568 0.065303 -0.026974 0.001234 -0.083888 23H 2s -0.247730 -0.101467 0.283260 -0.639413 -1.021022 -0.077044 23H 3s -0.118420 0.161087 0.227918 0.075880 0.052513 -0.098835 23H 1pz 0.036420 0.006730 -0.060065 0.125587 0.018478 0.126990 23H 1px 0.074138 0.048957 0.023273 0.126628 0.171195 0.005420 23H 1py 0.050762 0.128162 -0.024207 0.249831 0.401475 -0.042445 24H 1s 0.011102 0.004903 -0.046589 0.035376 0.080610 -0.017602 24H 2s -0.197181 -0.554751 -0.433535 -0.502287 -0.738201 0.354630 24H 3s -0.035412 -0.030776 -0.056508 0.059140 0.168013 0.066897 24H 1pz 0.048109 0.234630 0.173966 0.224515 0.247782 -0.105898 24H 1px 0.080873 0.087684 0.005179 0.161789 0.255550 -0.042408 24H 1py 0.031151 -0.059377 -0.028510 0.022398 -0.131970 0.093034 25H 1s 0.013859 0.079540 0.015185 0.139542 0.089901 0.053488 25H 2s 0.300017 -0.387181 -0.289943 0.141007 -0.282472 0.290001 25H 3s 0.127534 -0.151634 -0.075314 0.049968 0.068051 -0.035708 25H 1pz -0.048918 0.021203 0.082563 -0.144064 -0.012362 -0.109108 25H 1px 0.046738 -0.157091 -0.064663 -0.149624 -0.261587 0.104158 25H 1py 0.000248 -0.044218 -0.041717 -0.073195 0.018189 0.013037 26O 1s 0.005997 0.001453 -0.000266 0.012105 -0.004560 -0.022783 26O 2s 0.021584 0.007117 -0.000617 0.040044 -0.016200 -0.078965 26O 3s -0.241298 -0.058763 -0.012081 -0.265614 0.112198 0.639287 26O 4s 0.912368 0.006469 0.187077 0.386435 -0.123106 -1.619684 26O 5s 1.231237 0.096997 -0.469604 -0.963117 0.319391 0.695687 26O 1pz -0.128506 -0.191702 0.148142 0.048270 -0.038399 0.041190 26O 1px 0.191569 0.004723 -0.022132 -0.087437 0.113817 0.016715 26O 1py -0.001651 -0.118295 -0.024247 0.085156 -0.075382 -0.059616 26O 2pz 0.216404 0.433030 -0.313191 -0.160439 0.089099 -0.058987 26O 2px -0.780072 0.046681 -0.022430 0.231404 -0.223683 0.279097 26O 2py -0.191750 0.217233 0.063437 -0.178032 0.169954 0.267379 26O 3pz 0.113943 -0.487921 0.247694 0.255606 -0.527468 0.078111 26O 3px -0.440058 -0.130538 0.003012 0.318928 -0.296657 -0.112031 26O 3py -0.126348 -0.451985 -0.015180 0.340625 -0.551976 -0.103385 26O 1dz2 -0.004413 -0.000992 -0.000608 0.001883 -0.003464 0.000435 26O 1dxz -0.003744 -0.002171 -0.000972 0.001971 -0.001286 -0.001781 26O 1dyz -0.002236 -0.010548 0.002439 0.003533 -0.002811 0.002984 26O 1dx2y2 0.004596 -0.004929 0.004801 -0.002930 0.006760 0.000113 26O 1dxy 0.006205 -0.002530 -0.005256 0.003391 0.000252 -0.005973 26O 2dz2 -0.074524 -0.047717 0.021707 0.048813 -0.044308 -0.014356 26O 2dxz -0.155114 -0.088200 0.062173 -0.034249 0.029101 -0.039171 26O 2dyz -0.084200 -0.088920 0.031260 0.015874 -0.037943 0.028372 26O 2dx2y2 0.142648 0.040168 -0.003445 -0.058020 0.036054 0.064130 26O 2dxy -0.003605 0.001162 -0.020216 -0.027748 0.021495 -0.006675 26O 1f0 -0.002819 -0.008088 0.006448 0.012351 0.000181 0.008328 26O 1f+1 0.003090 -0.006620 0.007882 -0.000351 -0.005091 -0.005921 26O 1f-1 -0.000629 -0.000827 0.005379 0.000240 0.002745 -0.012253 26O 1f+2 0.018540 0.017864 -0.010821 -0.012091 -0.001724 -0.009796 26O 1f-2 -0.013686 -0.004525 0.004133 -0.006988 -0.004543 -0.002047 26O 1f+3 -0.006079 -0.027517 0.024052 -0.006421 0.006175 -0.002776 26O 1f-3 0.022359 0.007914 -0.008853 0.004845 -0.003676 -0.020603 27O 1s 0.008460 0.002014 -0.004281 0.004233 0.010466 -0.016989 27O 2s 0.030598 0.007782 -0.014898 0.012416 0.035034 -0.059186 27O 3s -0.255113 -0.077169 0.109135 -0.018290 -0.221969 0.474091 27O 4s 0.584573 0.213177 -0.263423 -0.401418 0.263547 -1.135978 27O 5s 0.237283 0.035602 1.199065 -0.850164 -1.343908 0.302748 27O 1pz -0.060225 -0.079643 -0.109321 0.170046 0.089377 0.021334 27O 1px 0.046967 -0.007085 0.077217 -0.048625 -0.085863 0.001996 27O 1py 0.144234 0.003181 0.095149 0.025049 -0.044444 -0.081937 27O 2pz 0.117672 0.170516 0.198044 -0.377861 -0.184513 -0.018166 27O 2px -0.247891 -0.036332 -0.178731 0.386140 0.355078 0.225702 27O 2py -0.287351 0.030926 -0.179480 -0.088118 0.050119 0.155554 27O 3pz 0.047269 -0.169897 -0.203430 0.172757 -0.063246 0.273761 27O 3px -0.077383 -0.119878 -0.352484 0.549728 0.011218 0.213143 27O 3py 0.128321 0.167547 0.326998 -0.147340 0.183018 -0.323631 27O 1dz2 0.002459 -0.004849 -0.005784 0.000679 0.001670 0.001919 27O 1dxz 0.003845 0.001587 0.004125 0.005508 -0.003769 -0.001339 27O 1dyz 0.002699 0.004076 0.002479 -0.002793 -0.002990 -0.005974 27O 1dx2y2 0.001009 -0.002512 0.004204 -0.002679 0.000354 -0.002630 27O 1dxy 0.002316 0.003956 -0.002265 -0.002100 -0.002365 -0.000108 27O 2dz2 0.030384 -0.025040 -0.042954 0.035855 0.026624 0.003259 27O 2dxz -0.049783 -0.032507 -0.078690 0.080268 0.124031 -0.051109 27O 2dyz 0.019665 0.036937 0.016749 -0.058318 -0.016441 -0.042626 27O 2dx2y2 0.074639 -0.001450 0.077956 -0.052485 -0.065115 -0.014488 27O 2dxy 0.087088 -0.021779 0.037795 0.040482 -0.046137 -0.033331 27O 1f0 0.006890 0.005950 0.024811 0.004354 -0.019581 -0.004371 27O 1f+1 0.011154 0.003197 0.002341 0.000440 -0.004118 -0.013589 27O 1f-1 0.002985 -0.004301 -0.001244 0.001868 -0.003508 0.001008 27O 1f+2 0.000782 -0.005320 -0.009081 -0.003337 0.005005 0.008933 27O 1f-2 0.020314 0.004853 0.013918 -0.005544 -0.012056 -0.013608 27O 1f+3 -0.000022 0.000068 -0.004731 -0.013864 -0.009870 -0.013768 27O 1f-3 0.012923 -0.001047 -0.002480 -0.002035 -0.004125 -0.007441 28O 1s -0.007334 0.003067 -0.001191 -0.014677 0.023797 -0.016041 28O 2s -0.027948 0.006855 -0.002982 -0.047260 0.082069 -0.057256 28O 3s 0.204692 -0.000343 0.033037 0.233371 -0.565563 0.423443 28O 4s -0.458769 -0.140666 -0.181249 0.172018 0.834786 -0.635670 28O 5s 1.057564 -1.054865 0.239773 2.401149 -2.326933 0.873571 28O 1pz 0.059271 0.205677 -0.078119 -0.113271 -0.012430 0.149168 28O 1px -0.090837 0.043334 -0.003583 -0.234932 0.131886 -0.128338 28O 1py 0.010763 0.170570 -0.060250 -0.239406 0.102424 0.045614 28O 2pz -0.188255 -0.281197 0.191671 -0.109220 0.209019 -0.314155 28O 2px 0.173495 -0.224752 -0.046156 0.839464 -0.443066 0.315002 28O 2py -0.049527 -0.303770 0.131303 0.415251 -0.175091 -0.064677 28O 3pz -0.205794 0.769940 -0.116043 -0.977571 0.184000 0.808104 28O 3px 0.108707 -0.242880 -0.042686 0.607911 -0.217152 -0.037276 28O 3py -0.001501 0.500442 -0.295152 -0.423400 -0.063570 0.445912 28O 1dz2 0.001145 0.001729 0.001001 -0.001070 -0.005794 0.000032 28O 1dxz -0.007492 -0.007070 0.003078 -0.000878 -0.000685 -0.006937 28O 1dyz 0.007026 0.006449 -0.000087 -0.003665 -0.007127 0.008174 28O 1dx2y2 0.009601 0.007018 -0.004582 0.006798 -0.000860 0.003547 28O 1dxy 0.007014 0.006822 -0.007500 0.002340 -0.003874 0.001778 28O 2dz2 0.047927 0.036049 -0.015001 -0.024018 -0.087528 -0.043506 28O 2dxz -0.054113 0.092780 -0.026433 -0.160501 0.105321 0.000181 28O 2dyz 0.089277 0.089365 -0.026625 -0.092272 -0.032906 0.022383 28O 2dx2y2 0.063926 -0.052285 -0.017137 0.173566 -0.067333 0.002527 28O 2dxy 0.038037 -0.008323 -0.000890 0.034843 -0.026444 0.056893 28O 1f0 -0.005952 -0.010112 0.001149 0.005348 -0.008957 0.007253 28O 1f+1 0.022096 0.002068 -0.004790 0.010245 -0.002108 -0.005817 28O 1f-1 0.001261 0.012690 -0.010834 -0.010466 0.002321 0.007876 28O 1f+2 -0.006321 -0.003247 0.012365 -0.010755 0.008832 0.000701 28O 1f-2 0.002170 -0.015171 0.003081 0.017675 0.006003 -0.013516 28O 1f+3 0.007754 0.002669 -0.002907 0.000187 0.001716 -0.007371 28O 1f-3 0.006246 -0.006411 0.001674 0.000727 0.001490 -0.001468 29O 1s 0.012330 0.011182 0.002017 -0.031600 0.016775 0.010920 29O 2s 0.040936 0.037214 0.007069 -0.105628 0.056252 0.035559 29O 3s -0.242039 -0.226714 -0.052618 0.660802 -0.354872 -0.204246 29O 4s 0.377931 0.302924 0.083849 -1.033222 0.604453 0.181917 29O 5s -0.996398 -0.568516 -0.027050 2.101937 -1.355591 -0.226755 29O 1pz -0.019034 -0.026069 -0.003991 0.083925 -0.034161 -0.037126 29O 1px 0.051231 0.064385 0.022284 -0.197497 0.082306 0.104255 29O 1py -0.074197 -0.013043 -0.002405 0.112551 -0.058299 0.015569 29O 2pz 0.064864 0.071416 -0.039346 -0.272132 0.097322 0.089511 29O 2px -0.211412 -0.178778 -0.053237 0.533334 -0.267113 -0.234130 29O 2py 0.247338 0.099726 0.006069 -0.410527 0.224774 0.041956 29O 3pz -0.037088 0.036325 -0.014700 0.170140 -0.096962 0.094450 29O 3px 0.266637 0.118390 0.041756 -0.588662 0.328187 -0.010288 29O 3py 0.125323 0.120584 -0.037293 -0.208636 0.204348 0.174151 29O 1dz2 0.003829 0.001679 -0.000891 -0.005983 0.002298 0.001169 29O 1dxz 0.004334 -0.000414 -0.000537 -0.007225 0.003824 -0.002767 29O 1dyz -0.001072 -0.001079 -0.003222 -0.001785 -0.000442 -0.000162 29O 1dx2y2 -0.006638 -0.003306 -0.001185 0.007440 -0.003910 -0.000740 29O 1dxy -0.004397 -0.000841 0.000435 0.000611 -0.002245 -0.003130 29O 2dz2 -0.027842 -0.023687 0.012367 0.071101 -0.031257 -0.028278 29O 2dxz -0.014627 -0.032130 -0.017091 0.012930 -0.016704 -0.041597 29O 2dyz -0.016925 -0.018204 0.014037 0.056420 -0.017117 -0.018293 29O 2dx2y2 -0.011956 0.001439 -0.010883 0.002261 -0.002950 0.022024 29O 2dxy 0.054442 0.038193 0.011826 -0.136860 0.080174 0.029593 29O 1f0 0.004595 0.006004 0.000733 -0.007824 0.005700 0.006419 29O 1f+1 -0.002538 -0.001461 0.001288 0.005521 -0.003841 -0.001371 29O 1f-1 0.003341 0.005277 -0.000756 -0.006561 0.001980 0.006056 29O 1f+2 0.000406 -0.002622 -0.000391 0.001088 -0.001650 -0.002845 29O 1f-2 0.006001 0.004659 -0.000179 -0.005726 0.003465 0.005781 29O 1f+3 0.005103 0.001731 -0.000314 -0.005099 0.001615 0.002214 29O 1f-3 -0.001530 -0.002714 -0.001284 0.002535 -0.001256 -0.001049 30O 1s 0.000572 0.004635 0.004787 -0.014286 0.003123 -0.021037 30O 2s -0.000613 0.016346 0.015018 -0.047235 0.013937 -0.072134 30O 3s 0.036280 -0.138818 -0.130470 0.271787 -0.125051 0.509166 30O 4s -0.244070 0.373605 0.442714 -0.050203 0.316614 -0.777308 30O 5s -0.466741 -0.339051 0.030853 1.419799 -0.573956 1.323883 30O 1pz 0.059723 0.085264 0.091157 -0.038402 -0.096384 0.026490 30O 1px 0.072710 0.013204 0.022697 -0.204875 -0.031305 -0.145169 30O 1py -0.090394 0.014697 -0.072218 0.019535 0.074585 -0.033998 30O 2pz -0.054047 -0.205358 -0.254350 -0.051109 0.203516 -0.091467 30O 2px -0.240408 0.016551 0.061471 0.635712 0.058636 0.363605 30O 2py 0.125665 0.004539 0.231051 0.107899 -0.198506 0.096208 30O 3pz 0.349560 0.193154 0.076557 -0.283321 -0.421492 0.063061 30O 3px -0.109783 -0.098765 0.282205 0.405180 -0.141174 0.077831 30O 3py -0.119530 -0.157909 -0.100723 0.451648 0.396758 -0.335581 30O 1dz2 -0.005149 0.000462 -0.005370 -0.007265 0.005670 -0.001039 30O 1dxz 0.002833 0.002410 -0.003571 -0.002384 -0.002339 0.000546 30O 1dyz -0.006999 -0.001548 -0.006570 0.004103 0.014097 -0.002323 30O 1dx2y2 0.005158 0.003508 0.005205 0.006972 0.000439 0.002045 30O 1dxy 0.001875 0.003603 0.004067 0.000570 -0.000915 0.000763 30O 2dz2 0.005543 0.038676 -0.002228 -0.110920 0.009514 -0.033855 30O 2dxz 0.050103 -0.000331 -0.020553 -0.059541 -0.014053 -0.027291 30O 2dyz -0.081089 0.003446 -0.033977 0.041447 0.107868 0.003193 30O 2dx2y2 -0.067745 0.020608 0.015327 0.080628 0.053352 0.074965 30O 2dxy -0.031441 -0.019073 -0.049402 0.118876 0.057809 0.035439 30O 1f0 -0.003131 0.003331 -0.000592 0.000606 0.000595 -0.001338 30O 1f+1 -0.007661 -0.005757 -0.004653 -0.001267 0.012776 -0.002566 30O 1f-1 -0.014602 -0.000536 -0.008735 0.003145 0.015735 0.004483 30O 1f+2 -0.002443 0.003921 -0.001673 -0.007117 -0.003943 -0.001309 30O 1f-2 0.000593 -0.000949 -0.010374 -0.010370 -0.000863 0.008077 30O 1f+3 0.013583 0.005444 0.016580 -0.010591 -0.016828 -0.008084 30O 1f-3 -0.005562 -0.001829 -0.012434 -0.000930 0.018976 -0.009058 31O 1s -0.000792 0.004561 -0.004891 0.016334 0.002460 -0.020315 31O 2s -0.000259 0.016001 -0.015413 0.054229 0.011651 -0.069910 31O 3s -0.028960 -0.136438 0.132221 -0.320599 -0.110131 0.493605 31O 4s 0.229031 0.370772 -0.443215 0.126919 0.303623 -0.752854 31O 5s 0.472185 -0.332529 -0.014215 -1.594039 -0.532437 1.385035 31O 1pz 0.053065 -0.086252 0.087696 -0.040379 0.095436 -0.030332 31O 1px 0.071423 -0.013025 0.027445 -0.221699 0.042070 0.154841 31O 1py -0.086877 -0.010112 -0.072327 0.021146 -0.074520 0.035070 31O 2pz -0.042823 0.208097 -0.245364 -0.053608 -0.197988 0.104595 31O 2px -0.236653 -0.017649 0.050705 0.677804 -0.084827 -0.384693 31O 2py 0.119371 -0.014361 0.228424 0.109737 0.191608 -0.107666 31O 3pz 0.332468 -0.195952 0.078311 -0.298063 0.421242 -0.044463 31O 3px -0.112081 0.088333 0.284630 0.418387 0.131034 -0.088297 31O 3py -0.108529 0.158194 -0.101588 0.448287 -0.370523 0.357639 31O 1dz2 0.004873 -0.000050 0.005036 0.007357 0.005324 -0.001122 31O 1dxz -0.002734 0.002314 0.003586 0.002512 -0.002647 -0.000214 31O 1dyz 0.006522 -0.001754 0.006357 -0.004071 0.014367 -0.003245 31O 1dx2y2 -0.004912 0.003967 -0.004691 -0.006990 0.001064 0.002583 31O 1dxy -0.001661 0.003728 -0.003910 -0.000620 -0.001047 0.001206 31O 2dz2 -0.004083 0.036596 0.001833 0.115651 0.007660 -0.033620 31O 2dxz -0.050024 -0.000733 0.017794 0.065534 -0.017794 -0.028072 31O 2dyz 0.077639 0.000457 0.032230 -0.042157 0.110477 -0.001969 31O 2dx2y2 0.066115 0.019888 -0.011564 -0.088721 0.060447 0.085107 31O 2dxy 0.029689 -0.019750 0.050527 -0.124709 0.058124 0.031493 31O 1f0 -0.003177 -0.002989 -0.000628 0.000566 -0.000384 0.000440 31O 1f+1 -0.006604 0.005863 -0.004103 -0.000933 -0.012042 0.002219 31O 1f-1 -0.013599 0.000979 -0.008712 0.003882 -0.015845 -0.005047 31O 1f+2 -0.002519 -0.003625 -0.002068 -0.007109 0.003624 0.000158 31O 1f-2 0.000389 0.001350 -0.010233 -0.010100 0.001202 -0.007527 31O 1f+3 0.012917 -0.006066 0.015928 -0.011300 0.016257 0.005620 31O 1f-3 -0.005141 0.002250 -0.012175 -0.001477 -0.018740 0.009007 32O 1s -0.012168 0.010968 -0.001457 0.031138 0.016158 0.012298 32O 2s -0.040391 0.036496 -0.005239 0.104139 0.054207 0.040180 32O 3s 0.238691 -0.221936 0.042251 -0.652535 -0.342504 -0.233477 32O 4s -0.373573 0.295298 -0.074746 1.029353 0.585329 0.227124 32O 5s 0.988776 -0.558342 0.011650 -2.106630 -1.311060 -0.310836 32O 1pz -0.016735 0.024480 -0.001600 0.078258 0.030735 0.040586 32O 1px 0.051268 -0.062143 0.017435 -0.193079 -0.078972 -0.113637 32O 1py -0.073971 0.013178 -0.002982 0.115077 0.056125 -0.010657 32O 2pz 0.056561 -0.065775 -0.043680 -0.257520 -0.086087 -0.100250 32O 2px -0.211768 0.175305 -0.040952 0.525808 0.257554 0.258618 32O 2py 0.245334 -0.099483 0.001905 -0.413662 -0.215465 -0.060107 32O 3pz -0.038416 -0.036306 -0.016507 0.178136 0.101450 -0.080631 32O 3px 0.264093 -0.114718 0.042807 -0.593593 -0.314171 -0.017263 32O 3py 0.127257 -0.120006 -0.049171 -0.200480 -0.201221 -0.174153 32O 1dz2 -0.003846 0.001679 0.000911 0.006041 0.002074 0.001435 32O 1dxz -0.004339 -0.000460 0.000457 0.007466 0.003841 -0.002287 32O 1dyz 0.001015 -0.001103 0.003244 0.001946 -0.000299 -0.000120 32O 1dx2y2 0.006518 -0.003370 0.001119 -0.007451 -0.003664 -0.001144 32O 1dxy 0.004518 -0.000920 -0.000621 -0.000359 -0.002195 -0.002803 32O 2dz2 0.027149 -0.023401 -0.012247 -0.067576 -0.029599 -0.032175 32O 2dxz 0.015341 -0.033087 0.015492 -0.012221 -0.016813 -0.041323 32O 2dyz 0.017388 -0.018407 -0.014564 -0.058608 -0.015551 -0.022449 32O 2dx2y2 0.012354 0.001018 0.012668 -0.004130 -0.003679 0.021405 32O 2dxy -0.052898 0.036645 -0.009743 0.135891 0.076036 0.036018 32O 1f0 0.004247 -0.005745 0.000441 -0.007023 -0.005387 -0.006302 32O 1f+1 -0.002828 0.001728 0.001347 0.005852 0.004041 0.001955 32O 1f-1 0.003504 -0.005560 -0.001131 -0.006744 -0.002270 -0.006525 32O 1f+2 0.000210 0.002944 -0.000273 0.001267 0.001644 0.003179 32O 1f-2 0.005744 -0.004495 -0.000618 -0.004830 -0.003053 -0.005645 32O 1f+3 0.005280 -0.001981 -0.000378 -0.005105 -0.001557 -0.002483 32O 1f-3 -0.001252 0.002658 -0.001130 0.002238 0.001005 0.001270 33O 1s 0.006987 0.002940 0.000191 0.016545 0.024202 -0.014943 33O 2s 0.026707 0.006415 -0.000573 0.053783 0.083667 -0.053647 33O 3s -0.195623 0.001463 -0.006278 -0.280260 -0.575953 0.403998 33O 4s 0.444413 -0.137571 0.142031 -0.103675 0.842366 -0.637578 33O 5s -1.045274 -1.001354 -0.203120 -2.520995 -2.418254 0.675516 33O 1pz 0.054264 -0.207038 -0.089615 -0.110177 0.017633 -0.155263 33O 1px -0.090295 -0.037070 0.000564 -0.250320 -0.145509 0.114657 33O 1py 0.009913 -0.165301 -0.064060 -0.236678 -0.105102 -0.061154 33O 2pz -0.177142 0.289645 0.214099 -0.119989 -0.230428 0.303828 33O 2px 0.173280 0.207477 -0.057757 0.879991 0.478965 -0.261588 33O 2py -0.049523 0.295333 0.138570 0.411118 0.177215 0.092624 33O 3pz -0.206952 -0.759883 -0.179057 -0.935295 -0.173676 -0.903201 33O 3px 0.107700 0.230757 -0.040100 0.608545 0.240712 0.085368 33O 3py -0.009149 -0.493298 -0.331248 -0.393170 0.057648 -0.467435 33O 1dz2 -0.000959 0.001683 -0.000704 0.001058 -0.005501 -0.000341 33O 1dxz 0.007476 -0.007225 -0.003411 0.001279 0.000167 -0.006322 33O 1dyz -0.006994 0.006451 0.000518 0.002956 -0.007720 0.008218 33O 1dx2y2 -0.009343 0.007423 0.004692 -0.006756 -0.001820 0.003274 33O 1dxy -0.006850 0.006656 0.007637 -0.002521 -0.004145 0.001498 33O 2dz2 -0.044369 0.034678 0.015570 0.029441 -0.080607 -0.044153 33O 2dxz 0.053367 0.090135 0.030450 0.162606 0.109946 0.013353 33O 2dyz -0.089323 0.085788 0.029225 0.088807 -0.037022 0.028249 33O 2dx2y2 -0.063549 -0.047416 0.017105 -0.175443 -0.072695 -0.009829 33O 2dxy -0.037283 -0.004114 0.002267 -0.036324 -0.032183 0.051183 33O 1f0 -0.005411 0.009712 0.000557 0.005854 0.008390 -0.007353 33O 1f+1 0.021736 -0.002065 -0.004088 0.009852 0.003499 0.007126 33O 1f-1 0.000975 -0.011662 -0.010975 -0.009634 -0.002286 -0.008689 33O 1f+2 -0.006114 0.003024 0.012543 -0.011051 -0.009115 -0.001759 33O 1f-2 0.002729 0.014024 0.004059 0.015960 -0.005096 0.014167 33O 1f+3 0.007705 -0.002886 -0.002846 -0.000761 -0.002069 0.007621 33O 1f-3 0.006593 0.005619 0.001812 0.000086 -0.000560 0.001777 34O 1s -0.008077 0.001984 0.004098 -0.003036 0.009641 -0.017780 34O 2s -0.029198 0.007647 0.014342 -0.008190 0.032148 -0.061920 34O 3s 0.244459 -0.075610 -0.108913 -0.015088 -0.199229 0.487825 34O 4s -0.566744 0.205017 0.281176 0.475938 0.209779 -1.125027 34O 5s -0.251182 0.075794 -1.154892 0.820469 -1.306151 0.495434 34O 1pz -0.055164 0.080268 -0.103155 0.175743 -0.080286 0.003709 34O 1px 0.050336 0.001653 0.068723 -0.046030 0.082447 -0.019651 34O 1py 0.140817 -0.010730 0.092360 0.017446 0.041974 0.080568 34O 2pz 0.108416 -0.171134 0.183030 -0.387757 0.167041 -0.034499 34O 2px -0.254183 0.047332 -0.147623 0.392470 -0.356130 -0.157828 34O 2py -0.279556 -0.015373 -0.178666 -0.071524 -0.048366 -0.165416 34O 3pz 0.061197 0.165378 -0.207296 0.207766 0.070050 -0.253355 34O 3px -0.067460 0.119864 -0.361126 0.568711 -0.027107 -0.143061 34O 3py 0.118279 -0.173709 0.330535 -0.183087 -0.164740 0.325312 34O 1dz2 -0.002525 -0.004895 0.005613 -0.000720 0.001780 0.001544 34O 1dxz -0.003598 0.001906 -0.004204 -0.005300 -0.003820 -0.002378 34O 1dyz -0.002287 0.004116 -0.002299 0.003508 -0.002999 -0.006101 34O 1dx2y2 -0.001219 -0.002348 -0.003921 0.002761 0.000198 -0.001598 34O 1dxy -0.001981 0.003836 0.002625 0.002226 -0.002171 -0.000406 34O 2dz2 -0.030284 -0.024185 0.042438 -0.035567 0.026128 -0.001836 34O 2dxz 0.046736 -0.034985 0.070483 -0.076895 0.117072 -0.069387 34O 2dyz -0.016945 0.036893 -0.013908 0.063000 -0.015215 -0.041451 34O 2dx2y2 -0.074234 0.002755 -0.072537 0.053350 -0.063916 -0.000202 34O 2dxy -0.084700 -0.016615 -0.034806 -0.037941 -0.043084 -0.028031 34O 1f0 0.005884 -0.006602 0.024783 0.003708 0.019079 0.004461 34O 1f+1 0.010923 -0.003584 0.001897 -0.000437 0.004814 0.013105 34O 1f-1 0.002837 0.004274 -0.001061 0.001916 0.003648 -0.000169 34O 1f+2 0.001641 0.005230 -0.009253 -0.002576 -0.004710 -0.009643 34O 1f-2 0.019363 -0.005628 0.013525 -0.006925 0.011735 0.013379 34O 1f+3 -0.000498 0.000512 -0.004812 -0.014652 0.010636 0.014616 34O 1f-3 0.012155 0.000740 -0.002226 -0.002867 0.005215 0.010453 35O 1s -0.005478 0.001455 -0.000878 -0.010016 -0.004265 -0.024026 35O 2s -0.019716 0.007061 -0.003311 -0.032822 -0.015158 -0.083115 35O 3s 0.226875 -0.059778 0.045667 0.206444 0.106648 0.668475 35O 4s -0.884727 0.017537 -0.283875 -0.235600 -0.122911 -1.673368 35O 5s -1.259529 0.139360 0.485995 0.948518 0.226473 0.747444 35O 1pz -0.123759 0.193147 0.149779 0.059113 0.029907 -0.040125 35O 1px 0.194989 -0.008406 -0.014562 -0.088844 -0.096951 -0.023779 35O 1py -0.000248 0.114737 -0.022469 0.079365 0.068677 0.073191 35O 2pz 0.205930 -0.432353 -0.318283 -0.179222 -0.076984 0.054974 35O 2px -0.785693 -0.029661 -0.061450 0.267435 0.179319 -0.264967 35O 2py -0.191782 -0.206930 0.050326 -0.152003 -0.161048 -0.298945 35O 3pz 0.118926 0.482480 0.252882 0.285227 0.531695 -0.077833 35O 3px -0.447544 0.144938 0.013347 0.325228 0.280476 0.103342 35O 3py -0.121814 0.449864 -0.015612 0.348598 0.532856 0.124239 35O 1dz2 0.004319 -0.001184 0.000949 -0.002386 -0.002786 0.000681 35O 1dxz 0.003727 -0.002218 0.000883 -0.001762 -0.001199 -0.001825 35O 1dyz 0.002060 -0.010320 -0.002339 -0.003739 -0.003042 0.002637 35O 1dx2y2 -0.004923 -0.004506 -0.005294 0.003055 0.005812 0.000121 35O 1dxy -0.006327 -0.002359 0.005011 -0.002809 0.000489 -0.006656 35O 2dz2 0.073651 -0.048127 -0.019679 -0.051489 -0.037869 -0.015286 35O 2dxz 0.152281 -0.090358 -0.062620 0.035954 0.042231 -0.034258 35O 2dyz 0.082382 -0.087845 -0.027948 -0.018848 -0.034593 0.025745 35O 2dx2y2 -0.144818 0.042817 0.003630 0.053094 0.025495 0.070667 35O 2dxy 0.003138 0.002911 0.020483 0.030803 0.023479 -0.007925 35O 1f0 -0.002682 0.007159 0.006253 0.012481 0.001450 -0.007764 35O 1f+1 0.003105 0.006359 0.008287 -0.000772 0.004320 0.005886 35O 1f-1 -0.000801 0.000825 0.005997 -0.000386 -0.004034 0.012238 35O 1f+2 0.018006 -0.016976 -0.010555 -0.012482 0.000683 0.009170 35O 1f-2 -0.013745 0.005019 0.004109 -0.006819 0.002619 0.002188 35O 1f+3 -0.005103 0.026551 0.025277 -0.007544 -0.005099 0.001979 35O 1f-3 0.021783 -0.007959 -0.007799 0.003037 0.003743 0.021528 504 505 506 507 508 509 3.14148 3.14451 3.14848 3.16809 3.18734 3.19966 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s -0.000189 -0.000151 -0.000606 -0.001105 0.000232 -0.000901 0Rh 2s 0.001495 0.001370 0.002928 0.015074 -0.005381 0.006151 0Rh 3s -0.000216 -0.000064 -0.001821 0.002581 -0.001888 -0.001621 0Rh 4s -0.008121 -0.007289 -0.015609 -0.079598 0.028125 -0.032850 0Rh 5s 0.018696 0.015438 0.023431 0.180581 -0.065642 0.062443 0Rh 6s -0.024677 -0.013140 0.020394 -0.193694 0.070585 -0.022409 0Rh 7s -0.053930 0.017013 -0.262745 0.441831 0.011728 -0.155977 0Rh 8s -0.134148 0.049842 0.084671 -0.175706 -0.009635 0.095483 0Rh 1pz -0.003021 0.002183 -0.001217 0.001078 -0.007228 -0.000127 0Rh 1px 0.002091 0.000933 -0.002498 0.004282 -0.005580 -0.002287 0Rh 1py -0.001945 -0.002692 -0.004577 0.003236 0.002934 0.002750 0Rh 2pz 0.011662 -0.007928 0.004633 -0.004067 0.027714 0.000408 0Rh 2px -0.007599 -0.003487 0.009324 -0.015788 0.021274 0.008688 0Rh 2py 0.006906 0.010636 0.017126 -0.012368 -0.011157 -0.010803 0Rh 3pz -0.026385 0.007529 -0.009249 0.007134 -0.060935 0.001093 0Rh 3px 0.007071 0.005530 -0.014194 0.019605 -0.043182 -0.016232 0Rh 3py -0.002932 -0.029339 -0.027398 0.026437 0.022715 0.028167 0Rh 4pz 0.020769 0.032295 0.003731 0.001963 0.054350 -0.009665 0Rh 4px 0.033835 0.003892 -0.015954 0.047073 0.019485 -0.002966 0Rh 4py -0.044732 0.043588 -0.019236 -0.021129 -0.014226 -0.034936 0Rh 5pz -0.011374 -0.085415 -0.005317 0.000847 -0.072115 0.017422 0Rh 5px -0.101192 -0.015228 0.064802 -0.142066 0.001789 0.040185 0Rh 5py 0.108990 -0.068491 0.058116 0.024096 0.013630 0.048041 0Rh 6pz -0.405763 0.423614 0.159152 -0.514016 -1.489183 0.155221 0Rh 6px 0.756154 0.139740 -0.333827 0.061307 -0.590481 -0.372590 0Rh 6py -0.448829 -0.153949 0.398313 0.580423 0.575388 0.398495 0Rh 1dz2 0.006968 0.015373 0.008267 0.007071 -0.021320 -0.000344 0Rh 1dxz 0.001750 -0.013662 0.001936 0.010335 0.006752 -0.003539 0Rh 1dyz 0.003226 0.010508 0.018893 0.006514 0.008089 -0.005204 0Rh 1dx2y2 -0.011517 0.003460 0.011974 -0.012682 0.015051 -0.003701 0Rh 1dxy 0.014508 -0.003961 0.010437 -0.015404 -0.006414 0.023853 0Rh 2dz2 0.001017 0.002011 0.000814 -0.000214 -0.001974 0.000062 0Rh 2dxz 0.000284 -0.002575 0.001234 -0.000515 0.001972 -0.000088 0Rh 2dyz -0.001103 -0.000164 0.000158 -0.000413 0.000746 -0.000245 0Rh 2dx2y2 -0.002976 0.000043 0.001142 0.000399 -0.000083 -0.000447 0Rh 2dxy 0.002211 -0.001934 0.000862 -0.001245 -0.001693 0.001321 0Rh 3dz2 -0.026772 -0.058053 -0.029834 -0.021564 0.077417 0.000822 0Rh 3dxz -0.007137 0.055184 -0.011663 -0.030794 -0.030522 0.011879 0Rh 3dyz -0.005323 -0.032679 -0.060493 -0.018978 -0.029454 0.017766 0Rh 3dx2y2 0.050216 -0.011202 -0.043344 0.038752 -0.047946 0.013808 0Rh 3dxy -0.056068 0.021239 -0.036975 0.054909 0.028173 -0.083102 0Rh 4dz2 0.025157 0.051249 0.018920 0.008351 -0.061916 0.001792 0Rh 4dxz 0.011123 -0.056711 0.018603 0.011599 0.034686 -0.008659 0Rh 4dyz -0.010531 0.012995 0.020500 0.004639 0.024551 -0.007351 0Rh 4dx2y2 -0.061716 0.004921 0.033507 -0.016974 0.025095 -0.010159 0Rh 4dxy 0.051536 -0.030683 0.023168 -0.041454 -0.031828 0.062936 0Rh 5dz2 -0.007528 -0.020944 0.089337 0.011019 -0.050218 -0.049264 0Rh 5dxz -0.036795 0.030683 -0.022554 0.024182 0.064717 -0.005099 0Rh 5dyz 0.035260 0.008315 0.262895 0.036728 0.009941 -0.138780 0Rh 5dx2y2 0.060693 0.024067 0.041106 -0.002293 0.037218 -0.029020 0Rh 5dxy -0.019235 0.001677 0.090503 -0.045408 -0.028928 -0.020150 0Rh 1f0 0.003091 -0.002615 0.019088 -0.009645 -0.029539 -0.017791 0Rh 1f+1 -0.022769 -0.001193 -0.002912 -0.014870 0.012428 0.008631 0Rh 1f-1 -0.014602 0.006195 0.037947 -0.024477 0.023308 -0.016468 0Rh 1f+2 0.008817 -0.003488 0.010456 0.001058 -0.040705 -0.003097 0Rh 1f-2 -0.014752 -0.025893 -0.010091 -0.012336 -0.014111 -0.000503 0Rh 1f+3 -0.009956 0.016682 0.000766 -0.008450 0.034344 0.008880 0Rh 1f-3 -0.002084 -0.004386 0.034919 -0.003879 -0.009628 0.006769 1Rh 1s 0.000271 0.000239 -0.000640 -0.001120 0.000218 -0.000574 1Rh 2s -0.002535 -0.001868 0.003198 0.015230 -0.005281 0.003610 1Rh 3s 0.000071 0.000284 -0.001861 0.002591 -0.001911 -0.001217 1Rh 4s 0.013535 0.009936 -0.017056 -0.080432 0.027579 -0.019288 1Rh 5s -0.029822 -0.019908 0.026462 0.182471 -0.064416 0.035207 1Rh 6s 0.030194 0.012243 0.017844 -0.195793 0.069153 -0.006019 1Rh 7s 0.102523 0.015804 -0.267899 0.440053 0.004676 -0.139533 1Rh 8s 0.134921 -0.064709 0.080669 -0.177077 -0.029478 0.020075 1Rh 1pz -0.002575 0.002492 0.001044 -0.001156 0.007303 -0.003276 1Rh 1px 0.002096 0.000622 0.002250 -0.004326 0.005445 0.001569 1Rh 1py -0.001684 -0.002203 0.004990 -0.003406 -0.002964 -0.001100 1Rh 2pz 0.010031 -0.009083 -0.004034 0.004378 -0.027990 0.012370 1Rh 2px -0.007664 -0.002327 -0.008412 0.015958 -0.020777 -0.005889 1Rh 2py 0.005918 0.008794 -0.018701 0.013000 0.011283 0.004037 1Rh 3pz -0.024576 0.009337 0.009350 -0.008089 0.061286 -0.022662 1Rh 3px 0.008097 0.003818 0.013095 -0.020008 0.042564 0.009565 1Rh 3py -0.001148 -0.026125 0.030561 -0.027433 -0.023251 -0.006364 1Rh 4pz 0.026080 0.033709 -0.009174 -0.000170 -0.053624 0.001144 1Rh 4px 0.029909 0.001633 0.013251 -0.046816 -0.020997 0.007370 1Rh 4py -0.044549 0.044747 0.018091 0.020386 0.015714 0.003580 1Rh 5pz -0.023791 -0.090048 0.017815 -0.004530 0.069860 0.020933 1Rh 5px -0.093396 -0.006781 -0.057009 0.143231 0.003059 -0.034084 1Rh 5py 0.107762 -0.073127 -0.059237 -0.021426 -0.016957 -0.005058 1Rh 6pz -0.455835 0.459647 -0.203105 0.526249 1.510347 -0.677312 1Rh 6px 0.700136 0.113066 0.285053 -0.105800 0.556726 0.049976 1Rh 6py -0.490561 -0.148144 -0.337841 -0.605209 -0.565435 -0.954137 1Rh 1dz2 -0.006806 -0.013392 0.010147 0.007013 -0.021410 0.004467 1Rh 1dxz -0.002195 0.013755 0.000208 0.010802 0.006633 -0.006111 1Rh 1dyz -0.002471 -0.007529 0.019106 0.006725 0.008323 0.002476 1Rh 1dx2y2 0.012939 -0.002556 0.011673 -0.012820 0.015336 0.011614 1Rh 1dxy -0.013491 0.003342 0.011065 -0.016294 -0.006645 -0.028581 1Rh 2dz2 -0.000838 -0.001857 0.001116 -0.000215 -0.001942 0.000544 1Rh 2dxz -0.000064 0.002594 0.000926 -0.000455 0.002015 -0.000366 1Rh 2dyz 0.001143 0.000104 -0.000003 -0.000321 0.000755 -0.000542 1Rh 2dx2y2 0.002772 0.000085 0.000942 0.000415 -0.000191 0.000802 1Rh 2dxy -0.002241 0.001834 0.000831 -0.001362 -0.001757 -0.002177 1Rh 3dz2 0.025468 0.051072 -0.037193 -0.021385 0.077550 -0.016772 1Rh 3dxz 0.007583 -0.055579 -0.004772 -0.032567 -0.030353 0.021493 1Rh 3dyz 0.002773 0.023521 -0.060446 -0.020067 -0.030247 -0.005275 1Rh 3dx2y2 -0.053851 0.007769 -0.041474 0.039137 -0.048349 -0.041144 1Rh 3dxy 0.052971 -0.018777 -0.038846 0.058285 0.029213 0.102171 1Rh 4dz2 -0.023062 -0.046711 0.026078 0.008399 -0.061429 0.011477 1Rh 4dxz -0.009427 0.057312 0.011877 0.013288 0.035444 -0.016295 1Rh 4dyz 0.011445 -0.010673 0.018693 0.006268 0.025063 -0.010265 1Rh 4dx2y2 0.061820 -0.002225 0.030038 -0.017232 0.023614 0.031616 1Rh 4dxy -0.050437 0.027644 0.023938 -0.044570 -0.033229 -0.081427 1Rh 5dz2 0.015696 0.034359 0.083698 0.010320 -0.054218 0.077751 1Rh 5dxz 0.039891 -0.033401 -0.021446 0.023771 0.058760 -0.019478 1Rh 5dyz -0.019757 0.029614 0.260820 0.036283 0.010146 0.175139 1Rh 5dx2y2 -0.064160 -0.017854 0.048751 -0.001409 0.047407 0.026725 1Rh 5dxy 0.022714 0.006535 0.088469 -0.044206 -0.026755 -0.017503 1Rh 1f0 0.001693 -0.005432 -0.018479 0.009508 0.029517 -0.000352 1Rh 1f+1 -0.023946 0.000285 0.003657 0.014644 -0.012185 0.005973 1Rh 1f-1 -0.018455 0.001999 -0.037621 0.024993 -0.022987 0.008084 1Rh 1f+2 0.010689 -0.003131 -0.010396 -0.000252 0.041202 -0.021056 1Rh 1f-2 -0.013483 -0.023329 0.012747 0.012334 0.014573 0.012460 1Rh 1f+3 -0.011123 0.017384 -0.002150 0.008812 -0.034457 -0.007161 1Rh 1f-3 -0.003857 -0.007455 -0.034136 0.004278 0.009425 0.005076 2C 1s 0.008883 -0.000582 -0.018281 0.005728 -0.000134 -0.010402 2C 2s 0.026585 -0.002156 -0.055469 0.018233 -0.001414 -0.029535 2C 3s -0.105721 0.039675 -0.063056 0.019790 -0.010465 -0.317952 2C 4s -0.176973 -0.121206 1.993845 -0.502710 0.065152 2.560145 2C 5s 0.412390 -0.477610 0.384526 -0.610167 0.562334 0.107475 2C 1pz -0.014712 0.034517 0.000721 0.023776 0.012312 -0.095855 2C 1px 0.032919 0.020388 0.009463 0.028706 -0.045967 0.041696 2C 1py -0.081921 -0.024899 0.037363 -0.044887 0.001165 -0.027326 2C 2pz 0.169889 -0.166487 0.588107 -0.255012 -0.211765 1.341493 2C 2px -0.379819 -0.186147 0.161738 -0.256232 0.330699 -0.233108 2C 2py 0.631873 0.096573 0.210312 0.261842 0.230008 0.539599 2C 3pz -0.031587 -0.137633 0.341819 -0.336077 0.266374 0.208987 2C 3px -0.319132 -0.310843 0.278799 -0.225408 -0.023173 0.251222 2C 3py 0.339904 0.106118 0.115381 0.131755 -0.000793 0.137204 2C 1dz2 0.136544 0.109120 -0.126870 0.197249 -0.037872 -0.022031 2C 1dxz 0.031039 0.035676 -0.058181 0.000800 0.034457 -0.064090 2C 1dyz -0.090825 -0.129868 -0.051145 -0.055930 -0.011221 -0.108961 2C 1dx2y2 0.277384 0.242311 -0.139743 0.191342 -0.039650 0.020377 2C 1dxy 0.341793 0.262154 -0.206895 0.246128 -0.053918 -0.062860 2C 2dz2 -0.097885 -0.146817 0.314288 -0.310047 -0.081792 0.471127 2C 2dxz 0.059243 -0.070359 -0.083597 0.156391 0.027434 -0.103072 2C 2dyz 0.264839 0.130921 0.350570 -0.035147 0.111378 0.492258 2C 2dx2y2 -0.418699 -0.255904 0.184097 -0.359026 0.138586 -0.193235 2C 2dxy -0.537677 -0.279427 0.234033 -0.345902 0.087023 0.092211 2C 1f0 -0.013005 -0.077115 0.092528 -0.067009 0.003176 0.025251 2C 1f+1 -0.025321 -0.112433 0.064118 -0.001124 0.061640 0.013311 2C 1f-1 -0.003330 0.027653 0.174549 -0.077484 0.041600 0.128969 2C 1f+2 -0.017507 -0.081291 -0.022684 -0.018784 0.046524 -0.124869 2C 1f-2 -0.056987 -0.062778 0.025018 -0.016759 -0.027567 0.019500 2C 1f+3 0.011497 0.031121 0.004775 -0.001821 -0.046016 0.055193 2C 1f-3 0.021847 0.058949 0.019591 -0.016484 -0.032478 0.063552 3C 1s -0.001038 -0.009428 0.026281 0.006668 -0.005174 0.023444 3C 2s -0.001851 -0.028205 0.078451 0.019544 -0.017256 0.067702 3C 3s -0.078595 0.101909 0.002763 0.163948 0.118053 0.398785 3C 4s 0.417758 0.262476 -2.308078 -1.289962 -0.204617 -4.334106 3C 5s -0.202261 -0.436057 -0.793025 -0.849693 0.286610 -1.148807 3C 1pz -0.076403 0.087148 -0.037802 -0.017562 0.058366 0.039611 3C 1px -0.009751 0.024467 -0.031367 -0.050618 -0.051943 -0.013915 3C 1py -0.001606 -0.005951 0.015761 -0.098816 -0.053271 -0.093264 3C 2pz 0.476537 -0.730175 -0.112468 -0.029616 -0.531035 -1.293115 3C 2px -0.046224 -0.080376 -0.005455 0.259466 0.296125 -0.208770 3C 2py 0.047163 0.015698 0.434429 0.796221 0.329747 1.742667 3C 3pz 0.278127 -0.460300 -0.074978 0.216055 0.021381 -0.296122 3C 3px 0.140874 0.148253 -0.232211 -0.176448 -0.059767 -0.326557 3C 3py 0.256381 -0.084723 0.566306 0.452551 -0.207785 0.689039 3C 1dz2 -0.445696 0.467409 -0.240777 -0.475831 0.059239 -0.104601 3C 1dxz -0.061306 0.112615 -0.002567 -0.030100 0.057101 0.074029 3C 1dyz 0.065794 -0.034973 -0.097727 0.002319 0.055146 -0.173970 3C 1dx2y2 -0.045183 -0.117882 -0.067544 -0.004689 0.050286 -0.131934 3C 1dxy 0.205168 0.050890 -0.039597 0.021605 -0.054132 -0.046095 3C 2dz2 0.558456 -0.664781 0.301412 0.610974 -0.184594 0.144014 3C 2dxz 0.099871 -0.145128 0.032170 0.012999 -0.214181 -0.295538 3C 2dyz -0.094570 0.104850 0.301214 0.280941 -0.007996 0.756312 3C 2dx2y2 -0.030944 0.268400 0.147856 0.165107 0.222287 0.675676 3C 2dxy -0.176183 0.092981 0.025065 -0.213114 -0.060557 0.274300 3C 1f0 -0.016561 0.002277 0.068322 0.034670 -0.040646 0.110483 3C 1f+1 0.065117 -0.016076 -0.008604 0.005942 0.020895 -0.025559 3C 1f-1 -0.114174 0.077787 -0.042423 -0.091911 -0.016217 -0.005859 3C 1f+2 0.041468 0.004325 0.107197 0.043009 -0.046164 0.117272 3C 1f-2 -0.094806 -0.040395 0.058377 0.004676 0.032798 0.143765 3C 1f+3 -0.047414 0.031792 -0.098507 -0.060811 -0.004007 -0.182453 3C 1f-3 0.071444 0.018615 0.095773 0.077485 0.017817 0.196035 4C 1s -0.001479 -0.001084 0.007928 -0.001332 -0.002284 0.001342 4C 2s -0.004225 -0.001153 0.024484 -0.003794 -0.006085 0.002623 4C 3s -0.031634 -0.219565 0.298517 -0.279758 0.138223 0.469168 4C 4s 0.063222 0.989682 -1.802327 1.019831 -0.335861 -2.316012 4C 5s -0.505827 1.251491 -1.323490 0.685005 -0.232693 -0.875130 4C 1pz -0.023929 -0.024019 -0.081488 -0.029481 0.013573 -0.078813 4C 1px -0.004236 0.021637 0.029898 -0.047124 0.041423 -0.010136 4C 1py 0.030038 -0.000533 -0.046309 -0.017109 0.048695 -0.072238 4C 2pz 0.557113 0.397846 0.595137 0.141042 -0.256032 1.514807 4C 2px -0.104990 -0.068041 -0.450161 0.298737 0.446939 -0.800799 4C 2py 0.041048 0.030642 0.297100 0.028899 -0.040105 0.636092 4C 3pz 0.207102 0.143222 0.132712 -0.020278 0.368674 0.061997 4C 3px 0.557958 0.567523 -0.008237 -0.070890 0.366136 -0.462179 4C 3py -0.207476 0.140467 0.143788 -0.498758 0.446718 -0.014210 4C 1dz2 0.044408 0.070861 -0.034507 0.092774 0.092062 -0.027351 4C 1dxz 0.139068 0.195018 0.016142 0.032373 -0.041198 0.161619 4C 1dyz -0.021380 -0.082476 0.147231 -0.080783 -0.019456 0.120344 4C 1dx2y2 0.043618 0.016542 0.118677 0.002753 0.050178 0.086795 4C 1dxy 0.008283 -0.069223 0.167798 -0.148295 0.016209 0.117786 4C 2dz2 -0.003709 -0.091140 0.104073 -0.315929 -0.230342 0.182597 4C 2dxz -0.498245 -0.448434 -0.377870 -0.107246 0.349041 -1.000775 4C 2dyz 0.154363 0.332150 -0.694683 0.272947 -0.112992 -0.578089 4C 2dx2y2 -0.185804 -0.012844 -0.184407 0.099134 -0.228704 -0.087236 4C 2dxy -0.061461 0.031602 -0.628912 0.522086 0.450038 -0.989091 4C 1f0 0.020446 -0.046445 0.097662 0.035936 0.141074 -0.010403 4C 1f+1 0.069483 -0.005497 0.076494 -0.048072 -0.041385 0.043174 4C 1f-1 -0.021896 0.052150 0.240124 -0.142423 -0.017198 0.195297 4C 1f+2 0.136385 0.072757 -0.125143 0.091586 -0.053399 -0.074521 4C 1f-2 0.012530 0.015459 0.030923 0.016954 0.080011 0.006509 4C 1f+3 0.069348 0.032698 0.075793 0.014579 0.108662 0.062397 4C 1f-3 -0.034424 -0.009573 0.117112 -0.103962 -0.014443 0.089630 5C 1s -0.003484 0.001936 -0.008011 0.000969 0.000976 -0.001475 5C 2s -0.009324 0.005067 -0.025269 0.004107 0.004243 -0.004230 5C 3s -0.132301 0.080816 -0.125812 -0.432886 0.078768 -0.314595 5C 4s 0.786732 -0.334386 1.093893 1.586794 -0.194306 1.970420 5C 5s 1.292146 0.209390 1.309866 0.733222 -0.499054 0.913852 5C 1pz -0.010102 -0.028184 0.086758 0.009178 0.000316 0.107331 5C 1px -0.015385 -0.019379 0.015982 0.013779 0.082833 0.050741 5C 1py 0.043591 -0.023417 -0.109741 0.010409 -0.035731 -0.182414 5C 2pz 0.265150 -0.102158 -0.631682 -0.564453 -0.484354 -1.739063 5C 2px -0.024297 0.000109 0.209427 0.621887 0.460889 -0.127412 5C 2py -0.743408 0.560497 0.663897 0.332037 0.642345 2.553313 5C 3pz 0.123151 0.369624 -0.498797 -0.670680 0.035350 -0.813051 5C 3px -0.166611 -0.555932 -0.117914 0.130564 0.664229 -0.027950 5C 3py -0.618451 0.407620 0.580672 0.217246 -0.064121 1.095284 5C 1dz2 0.000526 0.077077 0.114450 0.053741 -0.027711 0.077629 5C 1dxz -0.078701 -0.022913 -0.055422 -0.034849 -0.008052 -0.160092 5C 1dyz 0.163852 -0.093814 0.085183 0.084055 -0.047313 0.052979 5C 1dx2y2 -0.158571 0.078698 -0.097146 -0.153678 0.035711 0.078113 5C 1dxy -0.081519 0.076669 0.035209 0.084249 0.042902 0.153538 5C 2dz2 0.131852 -0.171937 -0.289161 -0.362547 -0.083722 -0.350804 5C 2dxz -0.037852 -0.058155 0.371175 0.480524 0.356639 0.952022 5C 2dyz -0.496833 0.393147 -0.396701 -0.218541 0.344228 -0.421488 5C 2dx2y2 0.338913 -0.123903 0.078333 0.663298 0.026500 -0.536827 5C 2dxy 0.227669 -0.232079 -0.570158 -0.694033 -0.638268 -1.241260 5C 1f0 -0.026336 0.044393 0.182032 0.073663 0.021668 0.300902 5C 1f+1 -0.078324 0.048026 -0.023938 -0.078720 0.004216 0.112979 5C 1f-1 0.007830 -0.092173 0.055205 0.079565 -0.053328 0.053976 5C 1f+2 -0.004680 -0.085133 0.150173 0.059981 -0.086769 0.161110 5C 1f-2 0.062314 -0.076047 0.099934 0.046045 -0.047478 0.051214 5C 1f+3 0.013286 -0.042243 -0.168834 -0.090026 0.105308 -0.163795 5C 1f-3 0.032084 -0.000746 0.089813 0.052294 -0.000046 0.022056 6C 1s 0.002495 -0.002725 -0.007987 0.001052 0.001018 0.001092 6C 2s 0.006474 -0.007437 -0.025121 0.004312 0.004416 0.002770 6C 3s 0.166380 -0.125650 -0.134302 -0.425151 0.080143 0.456212 6C 4s -0.860198 0.584409 1.147414 1.542126 -0.204400 -2.489214 6C 5s -1.344491 -0.045160 1.455097 0.683817 -0.493627 -0.887018 6C 1pz -0.014583 -0.037655 -0.082489 -0.008992 0.000545 0.093432 6C 1px -0.017243 -0.021128 -0.013742 -0.014127 -0.083241 0.023987 6C 1py 0.047223 -0.010418 0.110025 -0.010538 0.034773 -0.166865 6C 2pz 0.267523 -0.002065 0.623970 0.557992 0.468187 -1.582214 6C 2px -0.013296 -0.058356 -0.218713 -0.605654 -0.451341 -0.255935 6C 2py -0.729672 0.438144 -0.683700 -0.333798 -0.620724 2.360745 6C 3pz 0.074368 0.402619 0.448823 0.673539 -0.042119 -0.716467 6C 3px -0.212903 -0.630788 0.150162 -0.132657 -0.674636 0.074103 6C 3py -0.508999 0.353945 -0.584900 -0.231116 0.087106 0.759688 6C 1dz2 -0.011193 -0.061891 0.124371 0.052487 -0.027817 -0.117722 6C 1dxz 0.070887 0.033351 -0.056687 -0.034535 -0.005968 0.084226 6C 1dyz -0.152503 0.109055 0.084376 0.080307 -0.047261 -0.096224 6C 1dx2y2 0.157232 -0.089433 -0.098012 -0.149898 0.036185 -0.077296 6C 1dxy 0.075188 -0.061108 0.040582 0.082873 0.037836 -0.144669 6C 2dz2 -0.106138 0.106077 -0.312343 -0.354896 -0.075090 0.319773 6C 2dxz 0.057897 0.097807 0.354973 0.469320 0.340314 -0.621311 6C 2dyz 0.467312 -0.445061 -0.382103 -0.209507 0.342361 0.609485 6C 2dx2y2 -0.351974 0.145600 0.088746 0.649583 0.020741 0.531554 6C 2dxy -0.212663 0.119802 -0.588145 -0.679336 -0.619698 1.166487 6C 1f0 -0.016895 0.030018 -0.182041 -0.071998 -0.018776 0.327532 6C 1f+1 -0.075338 0.052542 0.023337 0.077394 -0.003797 0.051338 6C 1f-1 0.003421 -0.098519 -0.045488 -0.078885 0.054761 0.004932 6C 1f+2 -0.006314 -0.102974 -0.140775 -0.061573 0.089801 0.124798 6C 1f-2 0.061781 -0.083702 -0.094939 -0.045801 0.047540 0.108776 6C 1f+3 0.011987 -0.022471 0.172115 0.086383 -0.109736 -0.094135 6C 1f-3 0.035551 -0.020747 -0.094181 -0.052061 -0.000154 0.083357 7C 1s 0.001442 0.001878 0.007744 -0.001369 -0.002222 -0.003243 7C 2s 0.004368 0.003491 0.024174 -0.003979 -0.005877 -0.009235 7C 3s 0.079632 0.255977 0.271971 -0.274826 0.135799 -0.298583 7C 4s -0.250494 -1.202819 -1.688085 0.998971 -0.337672 1.837010 7C 5s 0.329555 -1.429817 -1.203954 0.703525 -0.240564 1.196703 7C 1pz -0.017990 -0.005465 0.085075 0.031629 -0.013324 -0.111559 7C 1px -0.008463 0.021408 -0.031983 0.047577 -0.041818 0.024162 7C 1py 0.030240 0.012954 0.043367 0.020010 -0.049968 -0.088428 7C 2pz 0.478955 0.253115 -0.665210 -0.159925 0.257731 1.439614 7C 2px -0.036303 0.017002 0.457546 -0.279709 -0.439090 -0.155659 7C 2py 0.030920 -0.050655 -0.292957 -0.042589 0.049637 0.853772 7C 3pz 0.063432 0.050309 -0.171254 0.033435 -0.340941 0.445930 7C 3px 0.499978 0.659877 -0.076616 0.108098 -0.387186 -0.164320 7C 3py -0.301614 0.078640 -0.127190 0.501563 -0.430766 0.254433 7C 1dz2 -0.048559 -0.077630 -0.023638 0.091914 0.092592 -0.023956 7C 1dxz -0.123264 -0.203244 0.047357 0.030449 -0.036168 -0.115210 7C 1dyz 0.023181 0.091419 0.138167 -0.080184 -0.019300 -0.110369 7C 1dx2y2 -0.024284 -0.012414 0.124802 0.002991 0.050718 -0.005129 7C 1dxy 0.014122 0.090588 0.158145 -0.148868 0.019496 -0.055347 7C 2dz2 0.030601 0.108196 0.086115 -0.312928 -0.225153 0.299224 7C 2dxz 0.425844 0.385268 -0.456025 -0.119634 0.331454 0.524401 7C 2dyz -0.180877 -0.415722 -0.649351 0.260379 -0.112429 0.608103 7C 2dx2y2 0.138051 0.036537 -0.203504 0.111576 -0.234673 -0.209291 7C 2dxy -0.023959 -0.124993 -0.619665 0.510427 0.441786 0.503506 7C 1f0 0.012799 -0.052916 -0.096140 -0.033278 -0.142725 -0.066089 7C 1f+1 0.057765 -0.010326 -0.078670 0.049337 0.040446 0.052782 7C 1f-1 -0.054624 0.022681 -0.245434 0.141486 0.017055 0.277104 7C 1f+2 0.142270 0.088538 0.111183 -0.091808 0.051373 -0.078437 7C 1f-2 0.010544 0.007676 -0.030803 -0.017517 -0.080676 0.044730 7C 1f+3 0.057625 0.019015 -0.078765 -0.015955 -0.112171 0.039336 7C 1f-3 -0.044888 -0.020683 -0.112321 0.103165 0.014411 0.015631 8C 1s 0.001078 0.011708 0.025093 0.006619 -0.005389 -0.020324 8C 2s 0.002049 0.034944 0.074914 0.019380 -0.017932 -0.058821 8C 3s 0.066106 -0.079833 0.013113 0.163176 0.115977 -0.434369 8C 4s -0.384343 -0.578043 -2.261513 -1.277284 -0.171936 4.257225 8C 5s 0.339128 0.366987 -0.863891 -0.838344 0.297507 0.822417 8C 1pz -0.071287 0.083591 0.030170 0.017131 -0.057935 0.032031 8C 1px -0.006725 0.027915 0.028859 0.048275 0.051171 -0.004815 8C 1py -0.006516 -0.002352 -0.014237 0.097872 0.053288 -0.105783 8C 2pz 0.442107 -0.664356 0.178621 0.025093 0.523152 -1.258644 8C 2px -0.050578 -0.063774 0.018818 -0.245425 -0.293113 -0.413063 8C 2py 0.045541 -0.088005 -0.441924 -0.780499 -0.315926 1.769564 8C 3pz 0.243472 -0.446731 0.112105 -0.213087 -0.028470 -0.153305 8C 3px 0.124584 0.212791 0.226056 0.180781 0.053806 -0.278274 8C 3py 0.284637 -0.117739 -0.565925 -0.443157 0.212366 0.639049 8C 1dz2 0.425002 -0.482073 -0.205659 -0.468254 0.059104 0.197577 8C 1dxz 0.050486 -0.112564 0.007170 -0.026189 0.055974 -0.049846 8C 1dyz -0.060797 0.028531 -0.096033 0.002695 0.057171 0.154487 8C 1dx2y2 0.051294 0.130598 -0.077437 -0.002853 0.051008 0.078073 8C 1dxy -0.203151 -0.084529 -0.031213 0.017153 -0.050974 0.070312 8C 2dz2 -0.530639 0.679450 0.249115 0.600733 -0.187609 -0.252745 8C 2dxz -0.091241 0.143166 0.020289 0.011503 -0.211355 0.253071 8C 2dyz 0.081505 -0.049816 0.307709 0.275897 -0.018523 -0.795615 8C 2dx2y2 0.027729 -0.248418 0.173125 0.159340 0.217235 -0.586760 8C 2dxy 0.176148 -0.063152 0.032732 -0.206002 -0.059007 -0.331919 8C 1f0 -0.020597 -0.009515 -0.066558 -0.033432 0.043547 0.101077 8C 1f+1 0.064721 -0.012847 0.007104 -0.006080 -0.022552 0.012661 8C 1f-1 -0.110547 0.082168 0.039281 0.088807 0.016351 -0.016545 8C 1f+2 0.042553 -0.002759 -0.108255 -0.042187 0.047834 0.119575 8C 1f-2 -0.095854 -0.054223 -0.052550 -0.005946 -0.031005 0.115819 8C 1f+3 -0.044079 0.044846 0.096188 0.059600 0.004076 -0.219930 8C 1f-3 0.070873 0.012021 -0.098995 -0.074844 -0.015911 0.194202 9C 1s -0.010983 -0.002874 -0.017795 0.005337 -0.000001 0.018157 9C 2s -0.032888 -0.007916 -0.054099 0.017179 -0.001071 0.053208 9C 3s 0.093688 -0.057789 -0.062938 0.016750 -0.007742 0.222428 9C 4s 0.395550 0.500506 1.961347 -0.455218 0.047509 -2.854266 9C 5s -0.215653 0.595605 0.346840 -0.634184 0.531444 -0.512742 9C 1pz -0.012802 0.043024 -0.006683 -0.020985 -0.014083 -0.031629 9C 1px 0.032770 0.016419 -0.013060 -0.030441 0.044879 0.000735 9C 1py -0.078512 -0.031248 -0.027439 0.042407 -0.001375 -0.014705 9C 2pz 0.133333 -0.283166 -0.558855 0.230294 0.218153 1.149846 9C 2px -0.377573 -0.167879 -0.128281 0.269340 -0.316277 0.004849 9C 2py 0.588183 0.084004 -0.277981 -0.245736 -0.236946 0.530147 9C 3pz -0.101738 -0.213749 -0.305821 0.334684 -0.258639 0.398330 9C 3px -0.341089 -0.368280 -0.236104 0.219286 0.028499 0.179244 9C 3py 0.280874 0.093698 -0.166621 -0.115139 0.000406 0.300266 9C 1dz2 -0.141753 -0.148313 -0.086896 0.190445 -0.036251 0.060754 9C 1dxz -0.033745 -0.040882 -0.058742 0.000833 0.036836 0.007541 9C 1dyz 0.070791 0.136358 -0.082545 -0.051294 -0.011208 0.155892 9C 1dx2y2 -0.261924 -0.252217 -0.097857 0.179852 -0.033353 -0.073226 9C 1dxy -0.343067 -0.309630 -0.155210 0.238868 -0.049673 -0.023730 9C 2dz2 0.115621 0.221335 0.266263 -0.296681 -0.083663 -0.385870 9C 2dxz -0.080335 0.056943 -0.082048 0.154308 0.021606 -0.017188 9C 2dyz -0.217023 -0.117995 0.397189 -0.043289 0.113744 -0.522081 9C 2dx2y2 0.410031 0.248428 0.136922 -0.351602 0.132114 0.186465 9C 2dxy 0.533607 0.332753 0.163651 -0.337652 0.081116 -0.106431 9C 1f0 -0.019106 -0.090400 -0.078814 0.065182 -0.003582 0.016292 9C 1f+1 -0.022278 -0.130592 -0.048914 -0.002442 -0.061438 0.015389 9C 1f-1 -0.017426 0.011525 -0.177108 0.078883 -0.043694 0.154514 9C 1f+2 -0.008530 -0.077776 0.036895 0.017557 -0.046803 -0.160051 9C 1f-2 -0.054384 -0.075666 -0.015012 0.012981 0.029704 0.038739 9C 1f+3 0.013292 0.033414 -0.009872 0.001216 0.045679 0.069907 9C 1f-3 0.016879 0.059742 -0.027405 0.015728 0.033774 0.076931 10H 1s 0.000483 -0.024222 0.015538 0.038877 -0.023396 0.034668 10H 2s 0.487538 0.150624 -0.637098 0.396898 -0.214158 -0.186192 10H 3s 0.020079 0.135314 0.033535 0.063888 0.058670 0.002514 10H 1pz 0.104314 -0.006725 -0.117426 0.081580 -0.044913 0.009543 10H 1px -0.128086 -0.006972 0.255909 -0.102387 0.021645 0.164304 10H 1py 0.108618 0.035454 -0.060145 0.059542 -0.074941 0.005478 11H 1s -0.048714 0.006382 0.044807 -0.049892 0.042264 0.074194 11H 2s -0.203678 -0.079319 -0.154590 -0.213091 -0.052368 -0.205504 11H 3s -0.182628 -0.090557 0.210499 -0.100100 0.095107 0.149842 11H 1pz -0.079021 0.022920 -0.060362 -0.061930 -0.028414 -0.073171 11H 1px 0.020733 -0.006155 -0.099888 -0.007046 -0.035372 -0.069711 11H 1py -0.107404 0.022230 0.157131 -0.098899 0.016183 0.097031 12H 1s 0.040055 0.004972 0.014903 -0.013178 -0.022445 -0.000364 12H 2s 0.404970 0.095455 -0.339583 0.223939 0.251072 -0.442262 12H 3s -0.005215 0.085587 0.111923 0.058356 -0.150764 0.151250 12H 1pz 0.003708 0.022322 0.126654 -0.027573 0.084919 -0.028040 12H 1px 0.012325 -0.018033 -0.009122 -0.047262 0.067477 -0.053673 12H 1py 0.158312 0.002281 -0.179214 0.110077 0.087396 -0.220009 13H 1s 0.012453 0.012625 -0.030295 -0.029710 -0.082742 -0.042493 13H 2s 0.112838 -0.487103 0.688495 0.258650 -0.371394 0.291890 13H 3s 0.039080 -0.043691 -0.091867 0.112779 0.039610 -0.087335 13H 1pz 0.047421 -0.162197 0.230631 0.114014 -0.085338 0.137778 13H 1px 0.046606 0.071358 -0.256826 -0.086874 0.028236 -0.221994 13H 1py -0.017123 0.052194 -0.050758 0.049183 0.134275 0.059333 14H 1s 0.015039 -0.037175 -0.031077 0.033898 0.056803 -0.055218 14H 2s 0.091004 -0.475651 0.640392 0.495304 -0.057313 0.626606 14H 3s 0.165702 0.047236 -0.110178 0.056221 0.028670 -0.161272 14H 1pz -0.003086 -0.137733 0.192405 0.160837 -0.054154 0.182206 14H 1px -0.053618 -0.120794 0.245041 0.094693 -0.012314 0.250154 14H 1py 0.021456 0.022627 0.122879 -0.042365 -0.117234 0.085644 15H 1s 0.001496 0.039150 -0.050224 -0.075108 0.014593 -0.090365 15H 2s -0.321762 0.201386 0.435392 -0.065921 0.154460 0.721610 15H 3s -0.116616 0.181122 -0.263530 -0.124050 0.046559 -0.235619 15H 1pz 0.009591 0.104878 -0.268925 -0.076433 0.080972 -0.251929 15H 1px 0.006716 0.037200 0.011979 0.009356 0.053826 0.043995 15H 1py 0.094374 -0.060612 -0.173532 -0.024714 -0.074685 -0.309152 16H 1s -0.009151 -0.006673 -0.004810 0.015069 -0.008596 0.026601 16H 2s 0.235826 -0.076346 -0.175217 0.228507 -0.061847 -0.254468 16H 3s -0.024567 -0.007964 -0.000120 -0.003084 -0.064849 0.019922 16H 1pz 0.090931 -0.033550 -0.071601 0.101255 -0.031515 -0.087270 16H 1px 0.011079 0.004357 -0.007953 0.010191 0.002120 0.006073 16H 1py 0.003459 -0.007286 -0.012116 0.011932 -0.001539 -0.019167 17H 1s 0.002529 -0.010572 0.013255 0.015123 0.016267 0.010090 17H 2s 0.282324 0.064497 -0.185696 0.213011 -0.228432 -0.157359 17H 3s -0.012844 -0.010515 0.023233 0.020745 0.094787 -0.003568 17H 1pz -0.080733 -0.002207 0.054147 -0.071360 0.072825 0.038596 17H 1px -0.070696 -0.020044 0.034303 -0.065897 0.020818 0.035329 17H 1py 0.033029 0.015513 -0.015185 0.031667 -0.029508 -0.005562 18H 1s -0.000152 0.011370 0.011406 0.015237 0.014427 0.030770 18H 2s -0.312173 -0.037944 -0.163833 0.227737 -0.197334 -0.181357 18H 3s 0.012035 0.011206 0.023048 0.016715 0.096111 0.004520 18H 1pz -0.090423 0.005269 -0.050829 0.076962 -0.066995 -0.044625 18H 1px -0.077300 -0.012076 -0.028422 0.069088 -0.011271 -0.026808 18H 1py 0.033679 0.011258 0.010561 -0.031389 0.023789 0.015689 19H 1s 0.010993 0.005788 -0.006141 0.015106 -0.010659 0.018364 19H 2s -0.274250 0.101316 -0.173529 0.248626 -0.033776 -0.177602 19H 3s 0.022597 0.007917 -0.001501 -0.004042 -0.062888 0.030719 19H 1pz 0.104843 -0.042847 0.071222 -0.109407 0.021307 0.045590 19H 1px 0.010585 0.004793 0.006679 -0.008603 0.000244 0.016875 19H 1py 0.009333 -0.009149 0.014629 -0.016191 0.000020 0.009000 20H 1s 0.004044 -0.042513 -0.045479 -0.074768 0.014900 0.104885 20H 2s 0.296177 -0.156504 0.445954 -0.063286 0.154411 -0.600661 20H 3s 0.108876 -0.198320 -0.247984 -0.120866 0.046108 0.281639 20H 1pz 0.008569 0.124225 0.255107 0.076041 -0.083784 -0.222939 20H 1px 0.008386 0.037772 -0.017345 -0.008411 -0.054832 0.056891 20H 1py 0.083361 -0.039933 0.176592 0.025335 0.074652 -0.279463 21H 1s -0.013729 0.033764 -0.034672 0.032547 0.057087 0.018300 21H 2s -0.087556 0.523164 0.588416 0.485480 -0.062158 -0.456332 21H 3s -0.166299 -0.073860 -0.100637 0.054170 0.033738 0.087538 21H 1pz -0.001687 -0.157672 -0.177910 -0.159561 0.056792 0.148154 21H 1px -0.054038 -0.141165 -0.227097 -0.092654 0.014426 0.177523 21H 1py 0.024447 0.014143 -0.124999 0.040792 0.117940 0.100474 22H 1s -0.014437 -0.019648 -0.029194 -0.028146 -0.082422 0.051579 22H 2s -0.113923 0.557916 0.641526 0.263890 -0.375555 -0.379422 22H 3s -0.042501 0.048761 -0.087087 0.111040 0.041710 0.100024 22H 1pz 0.049657 -0.180196 -0.212462 -0.114361 0.085536 0.172521 22H 1px 0.045431 0.101476 0.247211 0.088065 -0.031506 -0.196825 22H 1py -0.016210 0.056188 0.047167 -0.045566 -0.134063 0.046732 23H 1s -0.032900 -0.006886 0.020606 -0.015453 -0.022472 -0.044752 23H 2s -0.439356 -0.216615 -0.282175 0.193622 0.262146 0.571634 23H 3s 0.016603 -0.075287 0.130532 0.059199 -0.147843 -0.222525 23H 1pz -0.013965 0.014978 -0.133776 0.031574 -0.085843 0.060053 23H 1px 0.011064 -0.004929 0.006315 0.051582 -0.068414 -0.087042 23H 1py 0.182115 0.052056 0.163703 -0.098489 -0.092853 -0.283113 24H 1s 0.056944 0.004801 0.040414 -0.047584 0.041888 -0.069624 24H 2s 0.153088 0.015021 -0.181196 -0.218267 -0.052515 0.340382 24H 3s 0.194057 0.132749 0.185677 -0.092909 0.096968 -0.158107 24H 1pz -0.061983 0.046273 0.065258 0.063574 0.028846 -0.084612 24H 1px 0.036556 0.024654 0.097406 0.010915 0.034324 -0.113867 24H 1py -0.127577 -0.001480 -0.153392 0.098052 -0.015356 0.187266 25H 1s -0.002967 0.035529 0.011050 0.042081 -0.025143 -0.003381 25H 2s -0.558758 -0.234384 -0.603576 0.392942 -0.203818 0.323112 25H 3s -0.015756 -0.130291 0.044758 0.063863 0.059692 -0.077541 25H 1pz 0.121047 0.001076 0.118515 -0.083996 0.042340 -0.057528 25H 1px -0.158963 -0.053567 -0.247227 0.097805 -0.019201 0.193692 25H 1py 0.110411 0.043350 0.046302 -0.057582 0.073763 -0.002875 26O 1s 0.008248 0.003239 0.015192 -0.022855 0.027952 -0.003261 26O 2s 0.029020 0.012249 0.052830 -0.080169 0.097076 -0.010808 26O 3s -0.225349 -0.100024 -0.472643 0.655009 -0.705846 -0.002026 26O 4s 0.543533 0.269283 1.323970 -1.553116 1.175830 0.502441 26O 5s -0.613928 -1.054714 0.310591 0.409013 -1.816842 1.583715 26O 1pz 0.069813 0.088849 -0.155741 0.073566 -0.060513 -0.063767 26O 1px -0.107318 -0.096012 0.167286 -0.016680 -0.213474 0.214543 26O 1py 0.098583 0.020061 -0.036558 0.100734 -0.028071 -0.015011 26O 2pz -0.082713 -0.144028 0.277606 -0.068357 0.140856 0.123356 26O 2px 0.173985 0.195482 -0.716792 0.368676 0.510043 -0.858800 26O 2py -0.219053 -0.038297 -0.098369 -0.089653 0.011955 -0.141114 26O 3pz -0.134743 0.152017 -0.068202 0.034920 -0.236577 0.133118 26O 3px -0.248195 0.221341 0.088357 -0.108235 -0.003658 -0.070916 26O 3py 0.033384 0.219966 -0.090540 -0.012551 -0.320018 -0.020757 26O 1dz2 -0.000577 0.007014 -0.006966 0.002172 -0.003616 -0.005271 26O 1dxz -0.001330 -0.003641 -0.003946 -0.001090 0.002751 0.000701 26O 1dyz -0.000801 -0.004166 -0.004632 0.002646 0.001996 0.001203 26O 1dx2y2 -0.000620 -0.005885 0.008867 -0.000258 -0.002836 0.005226 26O 1dxy 0.002507 -0.001240 0.001427 0.000178 -0.009352 0.004229 26O 2dz2 0.013074 0.052264 -0.074137 0.013979 0.030133 -0.053092 26O 2dxz 0.060424 0.079733 -0.121532 -0.004239 -0.046544 0.001960 26O 2dyz 0.028544 -0.008762 -0.089061 0.008024 -0.001968 -0.023050 26O 2dx2y2 -0.087039 -0.053260 0.080943 -0.033184 -0.155204 0.101147 26O 2dxy 0.041180 -0.010196 -0.006551 0.060582 0.048760 0.025421 26O 1f0 -0.013839 -0.017721 0.003341 -0.004646 0.012431 -0.012365 26O 1f+1 0.005069 0.007692 0.002025 -0.003240 -0.000960 0.010459 26O 1f-1 0.008316 0.014826 0.004542 0.000741 0.001820 0.004332 26O 1f+2 0.007679 0.015443 0.004457 0.001626 -0.002764 0.024130 26O 1f-2 0.019356 0.014000 -0.008895 0.011693 -0.001146 -0.002762 26O 1f+3 0.002960 -0.004998 0.011090 -0.014951 0.004444 0.009148 26O 1f-3 0.004776 0.001094 0.019972 -0.015024 0.002428 0.014813 27O 1s 0.004503 -0.007135 -0.008137 0.001212 0.044120 0.007240 27O 2s 0.017193 -0.024998 -0.028119 0.003548 0.153197 0.024741 27O 3s -0.125309 0.186268 0.264567 0.052940 -1.134649 -0.157328 27O 4s 0.187341 -0.424718 -0.789801 -0.607140 2.020915 0.189179 27O 5s -0.722746 0.933226 -0.142507 -1.237604 -2.547240 -0.466730 27O 1pz 0.023008 -0.177725 0.093245 0.169166 0.004012 0.024212 27O 1px -0.096499 0.087601 -0.156861 -0.159117 -0.274016 -0.111664 27O 1py 0.023304 0.085371 -0.123637 -0.021077 0.089564 -0.029218 27O 2pz -0.050388 0.349763 -0.214256 -0.372011 0.010780 -0.107391 27O 2px 0.250705 -0.170751 0.546092 0.753035 0.551724 0.313486 27O 2py -0.104475 -0.110744 0.201178 -0.067584 -0.123322 0.112141 27O 3pz -0.024893 -0.165464 0.103877 0.090177 -0.176051 -0.024275 27O 3px 0.174558 -0.012729 -0.031167 -0.052582 -0.150611 -0.148637 27O 3py 0.150673 -0.087143 -0.236310 0.190537 0.451001 0.020526 27O 1dz2 0.002143 0.000140 -0.000114 0.003515 -0.000580 0.003119 27O 1dxz 0.006701 -0.002636 0.008241 0.003377 0.003418 0.004648 27O 1dyz 0.004107 0.000049 -0.002019 -0.001309 0.003849 0.000751 27O 1dx2y2 -0.007296 0.002317 -0.011056 -0.005959 -0.003024 -0.002322 27O 1dxy 0.005550 0.000603 -0.005160 0.002154 0.005186 -0.003316 27O 2dz2 0.005523 -0.013880 -0.012496 0.016556 0.054948 0.015464 27O 2dxz 0.052639 -0.118732 0.067007 0.079602 -0.001645 -0.022396 27O 2dyz 0.044289 0.007370 -0.041118 -0.022528 0.005852 0.001202 27O 2dx2y2 -0.068549 0.063986 -0.113098 -0.075828 -0.098875 -0.041988 27O 2dxy -0.051920 0.064330 -0.097752 -0.013770 -0.013705 0.005862 27O 1f0 0.006243 0.008547 0.014072 0.003225 -0.002549 0.022845 27O 1f+1 -0.004380 -0.002927 -0.011423 -0.014800 0.009896 -0.007132 27O 1f-1 0.004278 -0.004231 0.005295 0.004777 -0.007116 0.001954 27O 1f+2 -0.007847 -0.000161 -0.005694 -0.009409 -0.005485 -0.020537 27O 1f-2 0.010478 0.008551 -0.005075 -0.009466 -0.002943 -0.009074 27O 1f+3 0.016169 -0.014829 0.001298 -0.004348 0.002134 -0.006834 27O 1f-3 0.025494 -0.018614 0.006263 0.007570 -0.010476 -0.029302 28O 1s 0.001068 -0.000239 0.004526 -0.001393 -0.015387 0.023673 28O 2s 0.004097 0.000710 0.014133 -0.004980 -0.053195 0.081200 28O 3s 0.002387 0.014669 -0.103276 0.055753 0.359227 -0.559091 28O 4s -0.239174 -0.234547 0.057962 -0.120807 -0.404494 0.579863 28O 5s -0.259817 -0.579757 0.083021 -0.367757 1.323016 -1.716737 28O 1pz -0.026562 -0.094058 0.011869 0.018507 0.101685 -0.088983 28O 1px 0.123788 0.067532 -0.087058 0.018573 -0.125375 0.198892 28O 1py 0.036002 0.010102 -0.020867 0.045528 -0.084725 0.070639 28O 2pz 0.185727 0.308844 -0.034967 0.056089 -0.356040 0.311612 28O 2px -0.353384 -0.257103 0.121093 -0.091151 0.390266 -0.612429 28O 2py -0.044792 -0.001335 0.029534 -0.031776 0.186845 -0.149422 28O 3pz -0.343161 -0.104678 -0.269131 0.029805 0.104831 -0.320212 28O 3px -0.129556 -0.317587 -0.029642 -0.085490 -0.042216 -0.068900 28O 3py -0.030827 -0.055337 -0.118045 0.254196 0.171969 -0.167704 28O 1dz2 0.006363 0.000549 -0.007462 0.002446 0.001358 -0.001701 28O 1dxz 0.000731 0.008306 -0.003610 0.001257 0.001967 0.004745 28O 1dyz 0.000201 -0.003650 -0.001031 -0.001589 0.003131 0.001248 28O 1dx2y2 -0.008394 -0.007669 0.009189 -0.000425 0.008441 -0.002511 28O 1dxy -0.004316 -0.002855 0.005062 -0.003503 -0.005378 0.001402 28O 2dz2 0.062367 0.039193 -0.039262 0.009430 0.046311 0.033629 28O 2dxz 0.005237 0.023952 -0.056288 0.041592 -0.076835 0.054225 28O 2dyz 0.002567 -0.006735 -0.012224 -0.053798 -0.069511 0.097035 28O 2dx2y2 -0.046635 -0.032769 0.051793 -0.021577 0.023387 -0.063884 28O 2dxy -0.025040 -0.073388 0.048647 0.019424 0.089559 -0.047334 28O 1f0 -0.001691 0.001760 -0.010065 0.000353 -0.005676 -0.003703 28O 1f+1 -0.010003 -0.012041 0.010379 -0.015318 -0.011340 0.006653 28O 1f-1 -0.003597 -0.002480 -0.001331 0.007389 -0.006579 0.000986 28O 1f+2 0.002726 0.005307 0.001954 -0.002577 -0.005579 0.004158 28O 1f-2 -0.005646 -0.006107 0.012030 -0.009621 0.013757 -0.004422 28O 1f+3 0.000667 0.002197 0.001168 -0.002571 -0.010242 0.003571 28O 1f-3 0.003152 -0.008788 0.003856 -0.000215 0.011610 -0.000359 29O 1s 0.010925 0.000414 -0.007579 0.012814 -0.007770 -0.009071 29O 2s 0.036608 0.001624 -0.025290 0.042525 -0.025869 -0.030517 29O 3s -0.229910 -0.014628 0.157087 -0.265693 0.163194 0.195679 29O 4s 0.375526 0.023936 -0.239181 0.393710 -0.221051 -0.296373 29O 5s -0.835943 0.011227 0.504411 -0.696382 0.311635 0.559697 29O 1pz -0.020968 0.006318 0.020767 -0.037233 0.018127 0.012269 29O 1px 0.047016 -0.001700 -0.047577 0.091361 -0.081791 -0.044047 29O 1py -0.038634 -0.000239 0.012025 -0.031158 0.003591 0.016434 29O 2pz 0.055264 -0.044066 -0.063471 0.093327 -0.028799 -0.071921 29O 2px -0.160321 -0.006285 0.130341 -0.231216 0.189002 0.117647 29O 2py 0.143044 -0.000847 -0.070791 0.138506 -0.046102 -0.079453 29O 3pz -0.061306 -0.080986 0.021295 -0.013452 0.141729 -0.002416 29O 3px 0.166900 -0.021118 -0.105577 0.187345 -0.030158 -0.109713 29O 3py 0.168174 0.001197 -0.132308 0.055462 -0.124210 -0.130738 29O 1dz2 0.000770 -0.002611 -0.000971 0.001968 0.002219 -0.000727 29O 1dxz 0.001964 0.002674 -0.000600 0.000308 -0.003892 -0.000139 29O 1dyz 0.000690 -0.000852 -0.001272 -0.001656 -0.001337 -0.001811 29O 1dx2y2 -0.001730 0.000057 0.001202 -0.002483 -0.001144 0.001000 29O 1dxy -0.003275 -0.000143 0.001635 0.000859 0.001078 0.001945 29O 2dz2 -0.013224 0.001545 0.018328 -0.027016 0.017841 0.024876 29O 2dxz -0.019171 0.004553 0.005621 -0.025071 -0.003796 0.009589 29O 2dyz 0.002485 0.028544 0.011524 -0.024953 -0.012917 0.015615 29O 2dx2y2 0.002251 -0.002438 -0.005720 0.002232 -0.013001 -0.010689 29O 2dxy 0.039240 -0.000013 -0.024383 0.065787 -0.030191 -0.014540 29O 1f0 0.005376 0.001285 -0.003042 0.003517 -0.003136 -0.005586 29O 1f+1 -0.002018 -0.000978 0.001989 -0.001235 0.004486 0.003048 29O 1f-1 0.003762 0.000728 -0.001955 -0.000922 -0.002063 -0.005814 29O 1f+2 -0.000909 0.001536 0.000841 -0.003277 -0.003288 0.002681 29O 1f-2 0.003210 0.000502 -0.004222 0.000568 -0.001156 -0.002044 29O 1f+3 0.002460 -0.000891 -0.000951 0.000817 0.001484 -0.001165 29O 1f-3 0.000579 -0.000624 0.001068 -0.001451 -0.001077 -0.000141 30O 1s 0.002723 -0.004235 -0.008735 -0.025723 -0.026137 -0.016781 30O 2s 0.009597 -0.015885 -0.029525 -0.088126 -0.089648 -0.058006 30O 3s -0.036460 0.095690 0.213340 0.625246 0.601818 0.365879 30O 4s -0.128193 0.009622 -0.262869 -0.904106 -0.748219 -0.096868 30O 5s -1.256927 0.431756 0.710014 1.413841 2.447357 2.240974 30O 1pz 0.024221 0.055728 0.006687 0.049887 0.056633 0.020744 30O 1px 0.191003 -0.128547 0.073319 -0.149961 -0.282470 -0.185622 30O 1py -0.013441 -0.039084 -0.001188 -0.057294 -0.025905 -0.038632 30O 2pz 0.039567 -0.178176 -0.058033 -0.118896 -0.293391 -0.238526 30O 2px -0.509613 0.329156 -0.057075 0.401691 0.764283 0.665777 30O 2py -0.101530 0.188553 0.061805 0.122534 0.220510 0.342197 30O 3pz 0.350129 0.089410 0.222565 0.154560 -0.073389 0.059089 30O 3px -0.249632 0.140968 0.189565 0.120447 0.073102 0.384299 30O 3py -0.200816 -0.431264 -0.159670 -0.087815 -0.129206 0.073188 30O 1dz2 0.003040 -0.004975 0.003820 -0.003732 -0.003553 0.000550 30O 1dxz 0.006245 -0.004424 0.006545 -0.003189 0.000957 -0.004460 30O 1dyz 0.003608 -0.001978 -0.006088 0.001323 -0.001144 -0.006498 30O 1dx2y2 -0.006461 0.009594 -0.011963 -0.001775 0.006204 -0.003700 30O 1dxy -0.004553 0.000132 -0.001040 0.000534 0.004626 0.004717 30O 2dz2 0.079481 -0.021402 0.004187 -0.064288 -0.035364 -0.079934 30O 2dxz 0.010536 -0.022936 0.038351 -0.054597 -0.111703 -0.023641 30O 2dyz 0.000917 0.002886 -0.051544 0.054173 0.000026 0.012630 30O 2dx2y2 -0.123853 0.096805 -0.102912 0.033648 0.105437 0.058628 30O 2dxy -0.062048 -0.020767 -0.009334 0.064924 0.086272 0.083811 30O 1f0 -0.009290 0.000668 0.001192 -0.005221 0.004442 0.001138 30O 1f+1 -0.005572 -0.006535 -0.003446 -0.001518 -0.005336 0.005304 30O 1f-1 -0.007839 0.000445 -0.006679 -0.002340 0.012082 0.003955 30O 1f+2 -0.005545 0.003995 -0.002376 -0.006337 0.010788 0.007966 30O 1f-2 0.006318 -0.007237 0.004964 0.003918 -0.007808 -0.016203 30O 1f+3 -0.008412 0.014360 -0.003795 -0.018552 -0.001011 0.021689 30O 1f-3 -0.003518 -0.003489 -0.015459 -0.004089 0.000061 -0.013852 31O 1s -0.001170 0.002291 -0.009373 -0.025558 -0.026203 0.008717 31O 2s -0.004142 0.009534 -0.031806 -0.087643 -0.089879 0.028969 31O 3s -0.003088 -0.052896 0.229743 0.623153 0.604498 -0.162486 31O 4s 0.194615 -0.056412 -0.284748 -0.909747 -0.762750 -0.166367 31O 5s 1.183464 -0.319615 0.691155 1.434251 2.426796 -1.133022 31O 1pz 0.030859 0.062004 -0.012248 -0.049771 -0.057346 0.006137 31O 1px 0.175907 -0.124017 -0.066514 0.152167 0.278417 -0.087773 31O 1py -0.021172 -0.044244 0.004742 0.056128 0.024726 0.027829 31O 2pz 0.027456 -0.183946 0.070062 0.117989 0.292688 -0.164565 31O 2px -0.478443 0.305455 0.044238 -0.403395 -0.751164 0.376882 31O 2py -0.087484 0.191889 -0.071799 -0.119170 -0.214755 0.100483 31O 3pz 0.368366 0.095386 -0.251983 -0.148954 0.071176 -0.181448 31O 3px -0.251718 0.125969 -0.179323 -0.120633 -0.065409 0.293995 31O 3py -0.246375 -0.430520 0.221176 0.085511 0.126035 0.230429 31O 1dz2 -0.002523 0.005719 0.003558 -0.003691 -0.003446 -0.001325 31O 1dxz -0.005954 0.005063 0.006483 -0.003278 0.001182 -0.002186 31O 1dyz -0.003291 0.002370 -0.005888 0.001047 -0.001141 0.001704 31O 1dx2y2 0.005749 -0.010614 -0.011307 -0.001764 0.006147 0.002068 31O 1dxy 0.004377 -0.000312 -0.001369 0.000786 0.004508 -0.006029 31O 2dz2 -0.075671 0.019743 0.006552 -0.063734 -0.032429 0.013665 31O 2dxz -0.007296 0.024745 0.036991 -0.055292 -0.112588 0.047801 31O 2dyz -0.002597 -0.000136 -0.049313 0.053141 -0.001519 -0.036003 31O 2dx2y2 0.113599 -0.099249 -0.098162 0.036455 0.104317 -0.049389 31O 2dxy 0.061702 0.027171 -0.013720 0.064288 0.085314 -0.034573 31O 1f0 -0.009651 0.000349 -0.000898 0.004951 -0.004344 -0.004423 31O 1f+1 -0.006186 -0.006679 0.004475 0.001431 0.005563 -0.003275 31O 1f-1 -0.007953 -0.000120 0.006858 0.002365 -0.011985 0.006555 31O 1f+2 -0.005422 0.004455 0.002314 0.005925 -0.010886 0.010318 31O 1f-2 0.007059 -0.007967 -0.004809 -0.004013 0.007634 -0.010499 31O 1f+3 -0.008605 0.016374 0.003256 0.018107 0.000832 0.017348 31O 1f-3 -0.004216 -0.002904 0.015632 0.003837 -0.000073 -0.017159 32O 1s -0.012496 0.000596 -0.007152 0.013601 -0.006888 -0.004665 32O 2s -0.041747 0.001708 -0.023841 0.045146 -0.022963 -0.015517 32O 3s 0.260017 -0.005139 0.147771 -0.281941 0.146304 0.093652 32O 4s -0.406480 0.004166 -0.224062 0.418909 -0.197046 -0.128668 32O 5s 0.879654 -0.078902 0.471961 -0.751257 0.241691 0.338851 32O 1pz -0.025068 0.007574 -0.020288 0.037301 -0.017488 -0.020937 32O 1px 0.061567 -0.007171 0.047201 -0.095988 0.081030 0.027961 32O 1py -0.037545 0.002415 -0.011045 0.033723 -0.001759 0.020950 32O 2pz 0.065389 -0.047798 0.064352 -0.095323 0.023986 0.044509 32O 2px -0.193691 0.011494 -0.125756 0.244902 -0.179776 -0.087432 32O 2py 0.150802 -0.015228 0.066423 -0.149140 0.033103 -0.002725 32O 3pz -0.053961 -0.079161 -0.009862 0.016710 -0.141417 0.031224 32O 3px 0.170510 -0.033501 0.104125 -0.201394 0.021963 0.039356 32O 3py 0.188814 -0.011694 0.121736 -0.060707 0.108600 0.202136 32O 1dz2 -0.000970 0.002731 -0.001282 0.002172 0.002215 -0.000572 32O 1dxz -0.001731 -0.002483 -0.000174 0.000415 -0.003731 0.001515 32O 1dyz -0.000753 0.000717 -0.001245 -0.001610 -0.001285 -0.000318 32O 1dx2y2 0.001890 -0.000236 0.001184 -0.002698 -0.001458 0.000717 32O 1dxy 0.003523 -0.000035 0.001395 0.000933 0.000865 0.001834 32O 2dz2 0.017867 -0.002812 0.017016 -0.028903 0.014313 0.004249 32O 2dxz 0.024617 -0.007291 0.005834 -0.026903 -0.006156 0.013435 32O 2dyz 0.001451 -0.029653 0.016054 -0.028216 -0.013027 0.003689 32O 2dx2y2 -0.004093 0.003666 -0.005599 0.001840 -0.012178 -0.003104 32O 2dxy -0.043562 0.005719 -0.023351 0.069047 -0.026035 -0.008642 32O 1f0 0.005869 0.000738 0.002468 -0.003810 0.002234 0.003741 32O 1f+1 -0.002526 -0.000766 -0.001892 0.001574 -0.004111 -0.001085 32O 1f-1 0.004773 0.000405 0.001818 0.000601 0.001727 0.005169 32O 1f+2 -0.001492 0.001653 -0.001156 0.003346 0.003461 -0.000883 32O 1f-2 0.003670 0.000479 0.003759 -0.000478 0.000730 0.006481 32O 1f+3 0.002820 -0.000938 0.001024 -0.000961 -0.001699 0.001963 32O 1f-3 0.000524 -0.000577 -0.000968 0.001480 0.001268 -0.003110 33O 1s 0.001043 0.002241 0.004224 -0.001336 -0.016044 0.000316 33O 2s 0.003265 0.005937 0.013276 -0.004900 -0.055469 0.001012 33O 3s -0.055764 -0.059656 -0.093759 0.057525 0.376839 -0.021211 33O 4s 0.311919 0.285961 0.009239 -0.134270 -0.445260 0.291738 33O 5s 0.139322 0.412851 0.015434 -0.391493 1.362257 0.238969 33O 1pz -0.014228 -0.101645 -0.001369 -0.022793 -0.101037 -0.015005 33O 1px 0.112762 0.067789 0.072636 -0.018142 0.125310 -0.013645 33O 1py 0.037649 0.001054 0.017985 -0.048370 0.085089 0.038385 33O 2pz 0.155964 0.308516 -0.004336 -0.052225 0.352121 0.132136 33O 2px -0.319506 -0.236799 -0.075018 0.097524 -0.386850 -0.076367 33O 2py -0.044794 0.015096 -0.026632 0.036742 -0.187560 -0.092800 33O 3pz -0.257727 -0.125734 0.302792 -0.061832 -0.089999 0.027859 33O 3px -0.126656 -0.291737 0.068197 0.091751 0.038227 -0.094035 33O 3py 0.020191 -0.054047 0.117957 -0.264937 -0.168650 -0.053393 33O 1dz2 -0.006820 -0.001789 -0.007087 0.002368 0.001394 0.005054 33O 1dxz -0.000279 -0.008910 -0.002615 0.001112 0.002036 -0.001245 33O 1dyz -0.000961 0.003402 -0.001353 -0.001523 0.003245 0.001980 33O 1dx2y2 0.008569 0.008745 0.008015 -0.000303 0.008341 0.000915 33O 1dxy 0.004341 0.003073 0.004819 -0.003488 -0.005457 -0.005572 33O 2dz2 -0.060467 -0.049743 -0.029147 0.006821 0.046883 0.043843 33O 2dxz -0.006754 -0.021294 -0.054212 0.044772 -0.079639 -0.001033 33O 2dyz -0.003768 0.004627 -0.011851 -0.053177 -0.069491 -0.049399 33O 2dx2y2 0.046654 0.031204 0.046806 -0.022069 0.025044 -0.026361 33O 2dxy 0.020730 0.078629 0.039680 0.020854 0.090310 0.055470 33O 1f0 -0.000485 0.003025 0.009716 -0.000012 0.005832 -0.000271 33O 1f+1 -0.010913 -0.012375 -0.008695 0.015120 0.011477 -0.003435 33O 1f-1 -0.002877 -0.002856 0.001457 -0.007428 0.006687 -0.004348 33O 1f+2 0.002475 0.004240 -0.002265 0.002165 0.005403 0.007587 33O 1f-2 -0.007924 -0.007805 -0.011041 0.009839 -0.013890 -0.006958 33O 1f+3 -0.000045 0.002183 -0.001814 0.002448 0.010124 0.000020 33O 1f-3 0.002656 -0.009702 -0.002973 0.000133 -0.012059 -0.014385 34O 1s -0.002545 0.006420 -0.008544 0.001144 0.044731 0.007418 34O 2s -0.010413 0.022435 -0.029461 0.003308 0.155379 0.026120 34O 3s 0.074457 -0.156658 0.275252 0.053130 -1.152644 -0.222209 34O 4s -0.080200 0.313313 -0.822798 -0.597886 2.063835 0.495026 34O 5s 0.643138 -1.052738 -0.137932 -1.200104 -2.572662 -0.068026 34O 1pz 0.019088 -0.194755 -0.078734 -0.165403 -0.000363 0.025819 34O 1px -0.085610 0.112086 0.155696 0.154966 0.274732 -0.031086 34O 1py 0.023490 0.105173 0.115723 0.020518 -0.091853 -0.089923 34O 2pz -0.039816 0.387031 0.185684 0.364178 -0.019566 -0.061810 34O 2px 0.241943 -0.269693 -0.552235 -0.736452 -0.545667 0.194422 34O 2py -0.105325 -0.142353 -0.187890 0.066638 0.126853 0.236912 34O 3pz -0.006532 -0.182397 -0.089749 -0.090216 0.175057 0.208806 34O 3px 0.187563 -0.026227 0.001524 0.073199 0.144489 0.041206 34O 3py 0.136068 -0.051779 0.249788 -0.190370 -0.453487 -0.041771 34O 1dz2 -0.002355 0.000087 0.000302 0.003389 -0.000471 0.000709 34O 1dxz -0.006321 0.003178 0.008121 0.003087 0.003420 -0.007617 34O 1dyz -0.003736 -0.000793 -0.001842 -0.001419 0.003911 0.000360 34O 1dx2y2 0.006990 -0.003620 -0.011346 -0.005665 -0.003040 0.003189 34O 1dxy -0.005930 -0.001211 -0.004600 0.002220 0.005353 0.000789 34O 2dz2 -0.005226 0.015017 -0.011443 0.015584 0.056064 -0.019157 34O 2dxz -0.041631 0.133516 0.058942 0.076459 -0.003377 0.076333 34O 2dyz -0.043019 -0.015598 -0.038337 -0.023234 0.007233 -0.020243 34O 2dx2y2 0.061509 -0.082140 -0.112292 -0.072708 -0.100115 0.050931 34O 2dxy 0.048420 -0.078607 -0.093690 -0.012856 -0.015195 0.050286 34O 1f0 0.006087 0.008625 -0.014608 -0.003076 0.002902 0.019483 34O 1f+1 -0.005345 -0.000790 0.012070 0.014493 -0.010058 -0.010199 34O 1f-1 0.004348 -0.004639 -0.005094 -0.004631 0.007163 -0.001254 34O 1f+2 -0.007276 -0.000195 0.005919 0.009477 0.005200 -0.017689 34O 1f-2 0.009889 0.010347 0.004009 0.009521 0.002394 -0.010643 34O 1f+3 0.015011 -0.013577 -0.000408 0.004303 -0.002615 -0.007170 34O 1f-3 0.024846 -0.018622 -0.005667 -0.007305 0.009945 -0.019243 35O 1s -0.004673 -0.002807 0.016023 -0.023464 0.028274 -0.013361 35O 2s -0.016590 -0.010723 0.055847 -0.082283 0.098195 -0.046783 35O 3s 0.123032 0.079782 -0.495993 0.670364 -0.714916 0.382407 35O 4s -0.283858 -0.184887 1.379149 -1.581580 1.199342 -0.830218 35O 5s 0.532529 1.157628 0.167516 0.468659 -1.823763 0.259446 35O 1pz 0.082403 0.109454 0.146230 -0.069926 0.060654 -0.057356 35O 1px -0.114127 -0.125375 -0.151440 0.010540 0.212796 0.018087 35O 1py 0.100061 0.032117 0.027666 -0.097388 0.026900 -0.092252 35O 2pz -0.103645 -0.183113 -0.266010 0.061513 -0.142191 0.134014 35O 2px 0.241281 0.290450 0.684939 -0.355143 -0.504616 -0.192578 35O 2py -0.198190 -0.048437 0.117764 0.082398 -0.007017 0.152444 35O 3pz -0.106849 0.202374 0.059559 -0.034974 0.228882 -0.265773 35O 3px -0.261007 0.240763 -0.104957 0.119163 0.011000 -0.222113 35O 3py 0.041218 0.277289 0.053196 0.024874 0.316592 -0.216218 35O 1dz2 0.000158 -0.008120 -0.006149 0.002006 -0.003670 0.001808 35O 1dxz 0.001484 0.003118 -0.004311 -0.001330 0.002569 0.004826 35O 1dyz 0.000127 0.003515 -0.005170 0.002604 0.002000 0.001528 35O 1dx2y2 0.001031 0.007397 0.007927 0.000012 -0.002613 -0.002731 35O 1dxy -0.002072 0.001105 0.001576 0.000197 -0.009367 -0.002135 35O 2dz2 -0.015146 -0.065840 -0.067407 0.011944 0.029978 0.013723 35O 2dxz -0.060938 -0.092323 -0.111594 -0.006445 -0.048373 -0.032366 35O 2dyz -0.037144 -0.004041 -0.089766 0.007509 -0.002481 -0.005529 35O 2dx2y2 0.085516 0.067887 0.070278 -0.028607 -0.156302 -0.055505 35O 2dxy -0.043046 0.011860 -0.006084 0.060713 0.049601 0.012952 35O 1f0 -0.013207 -0.018476 -0.000367 0.004467 -0.012048 -0.015138 35O 1f+1 0.004317 0.007992 -0.003034 0.003389 0.000900 0.005124 35O 1f-1 0.006879 0.014719 -0.006352 -0.000713 -0.001982 0.007742 35O 1f+2 0.006399 0.015384 -0.007173 -0.001464 0.002329 0.020273 35O 1f-2 0.019860 0.015498 0.006576 -0.011525 0.000846 0.001068 35O 1f+3 0.001640 -0.007227 -0.010133 0.015056 -0.004867 0.010000 35O 1f-3 0.001700 -0.000099 -0.020460 0.015105 -0.002576 0.008357 510 511 512 513 514 515 3.19993 3.21246 3.22222 3.24645 3.25342 3.25636 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s -0.001971 0.000310 0.000161 0.000074 0.000195 0.000214 0Rh 2s 0.012953 -0.005147 -0.001249 -0.001219 -0.002406 0.001492 0Rh 3s -0.003849 -0.001278 0.000201 -0.000298 -0.000302 0.002194 0Rh 4s -0.069189 0.027307 0.006685 0.006560 0.012764 -0.006663 0Rh 5s 0.129092 -0.065380 -0.013604 -0.016960 -0.028624 0.011006 0Rh 6s -0.035160 0.082980 0.009251 0.029001 0.029157 0.030145 0Rh 7s -0.413857 -0.079290 -0.008613 -0.180783 -0.062459 -0.872719 0Rh 8s 0.144725 0.134430 0.000937 0.021746 -0.034432 0.130475 0Rh 1pz 0.004785 0.000315 0.000209 -0.003092 0.003425 -0.009602 0Rh 1px -0.005275 -0.000501 0.000162 -0.001350 -0.001595 -0.002497 0Rh 1py 0.004737 0.001398 -0.001052 -0.003929 0.010348 0.004263 0Rh 2pz -0.018139 -0.001536 -0.000925 0.012013 -0.012927 0.036395 0Rh 2px 0.019919 0.001769 -0.000618 0.005004 0.005922 0.008590 0Rh 2py -0.018216 -0.005136 0.003565 0.014871 -0.039052 -0.016154 0Rh 3pz 0.035129 0.009196 0.004445 -0.028955 0.022878 -0.067752 0Rh 3px -0.034837 -0.000615 0.001210 -0.006946 -0.008412 0.003051 0Rh 3py 0.041961 0.006129 0.002092 -0.026973 0.069360 0.030351 0Rh 4pz -0.011902 -0.022349 -0.011500 0.031005 0.005312 0.000790 0Rh 4px -0.015600 -0.012047 -0.000177 -0.010625 -0.011774 -0.087332 0Rh 4py -0.048155 0.015179 -0.036736 -0.004856 0.012992 -0.003680 0Rh 5pz -0.013391 0.026743 0.016398 -0.036207 -0.033291 0.044840 0Rh 5px 0.102940 0.041662 -0.001942 0.038259 0.036370 0.221127 0Rh 5py 0.067912 -0.038061 0.067644 0.039652 -0.086069 -0.010372 0Rh 6pz 1.197425 0.024849 0.084391 -0.619973 -0.067556 0.472357 0Rh 6px -0.531297 -0.600163 0.023372 -0.419761 -0.094222 -0.911846 0Rh 6py 1.970009 0.181333 0.189280 0.226173 0.061557 0.166862 0Rh 1dz2 0.006842 -0.014915 0.004062 0.022979 0.007397 0.000159 0Rh 1dxz -0.013262 0.022071 0.005943 0.004314 -0.002265 0.010782 0Rh 1dyz -0.002507 0.004637 -0.010144 -0.005236 0.004639 0.003507 0Rh 1dx2y2 0.013868 0.016669 -0.006051 0.012440 0.007790 -0.006556 0Rh 1dxy -0.016080 0.005006 0.013951 0.007696 -0.001677 -0.001968 0Rh 2dz2 0.000877 -0.000147 0.004030 0.003496 0.002936 -0.002151 0Rh 2dxz -0.000625 0.002357 0.000289 0.000360 -0.000196 -0.001052 0Rh 2dyz -0.001276 0.001300 0.007462 0.000195 0.005000 -0.000161 0Rh 2dx2y2 0.000731 0.000749 0.000961 0.001745 0.001546 0.003199 0Rh 2dxy -0.001846 0.000379 0.005498 0.001761 0.001438 0.001298 0Rh 3dz2 -0.025893 0.048847 -0.031576 -0.090506 -0.037518 0.009180 0Rh 3dxz 0.045876 -0.082233 -0.020586 -0.015746 0.008211 -0.030396 0Rh 3dyz 0.014129 -0.020984 -0.001389 0.016825 -0.037916 -0.010606 0Rh 3dx2y2 -0.048300 -0.057306 0.015085 -0.048409 -0.032388 0.007033 0Rh 3dxy 0.060211 -0.018023 -0.070286 -0.032670 -0.001232 0.000605 0Rh 4dz2 0.019897 -0.027302 0.063997 0.087241 0.055762 -0.027915 0Rh 4dxz -0.034209 0.072482 0.014367 0.012932 -0.005988 0.005687 0Rh 4dyz -0.027247 0.028846 0.088633 -0.017545 0.081432 0.002707 0Rh 4dx2y2 0.037563 0.040138 0.003864 0.045480 0.036137 0.028647 0Rh 4dxy -0.052391 0.015290 0.102600 0.032325 0.020875 0.012794 0Rh 5dz2 0.064572 -0.072535 -0.044339 0.032463 -0.066261 0.025779 0Rh 5dxz -0.034794 -0.003938 0.013047 0.014878 -0.008388 0.023960 0Rh 5dyz 0.114001 -0.063773 -0.128685 0.136121 -0.158059 0.029134 0Rh 5dx2y2 0.008917 0.047110 -0.040992 0.034797 -0.024170 -0.029620 0Rh 5dxy -0.048727 -0.005620 -0.071103 0.057046 -0.086920 -0.008914 0Rh 1f0 -0.020042 -0.004083 0.009269 0.012984 -0.031102 -0.003831 0Rh 1f+1 0.000786 0.015738 0.008420 -0.002703 -0.011780 0.014698 0Rh 1f-1 -0.030268 -0.008496 0.012785 0.025336 -0.058238 0.022362 0Rh 1f+2 0.028517 0.005208 -0.012022 -0.006219 0.004686 -0.067126 0Rh 1f-2 -0.018789 -0.005471 0.016650 0.004328 -0.035999 -0.033215 0Rh 1f+3 0.020949 0.021069 -0.006866 -0.003649 0.025755 0.022661 0Rh 1f-3 0.001180 -0.001821 0.010603 0.020266 -0.038405 -0.021099 1Rh 1s -0.002101 -0.000344 -0.000206 0.000072 0.000193 0.000213 1Rh 2s 0.013926 0.005301 0.001584 -0.001171 -0.002423 0.001533 1Rh 3s -0.004034 0.001169 -0.000264 -0.000279 -0.000320 0.002210 1Rh 4s -0.074380 -0.028133 -0.008479 0.006303 0.012850 -0.006882 1Rh 5s 0.139356 0.066556 0.017207 -0.016267 -0.028890 0.011560 1Rh 6s -0.040649 -0.081471 -0.011516 0.027826 0.029693 0.029371 1Rh 7s -0.420879 0.058409 0.008533 -0.179530 -0.064700 -0.867681 1Rh 8s 0.177115 -0.129219 0.003168 0.010494 -0.031652 0.120534 1Rh 1pz -0.003560 0.000013 0.000166 0.003054 -0.003437 0.009587 1Rh 1px 0.005536 -0.000391 0.000187 0.001287 0.001597 0.002466 1Rh 1py -0.005348 0.001298 -0.000896 0.003944 -0.010380 -0.004261 1Rh 2pz 0.013531 -0.000406 -0.000757 -0.011870 0.012973 -0.036357 1Rh 2px -0.020941 0.001360 -0.000720 -0.004774 -0.005930 -0.008480 1Rh 2py 0.020721 -0.004752 0.002975 -0.014920 0.039173 0.016152 1Rh 3pz -0.027143 0.007376 0.004031 0.028700 -0.023018 0.068101 1Rh 3px 0.037384 -0.000113 0.001521 0.006623 0.008423 -0.003084 1Rh 3py -0.050000 0.005225 0.003175 0.026913 -0.069592 -0.030496 1Rh 4pz 0.013831 -0.023455 -0.011005 -0.030929 -0.005034 -0.002712 1Rh 4px 0.013519 -0.010696 -0.000618 0.010143 0.011785 0.086684 1Rh 4py 0.059709 0.016198 -0.036636 0.005602 -0.012981 0.004368 1Rh 5pz 0.002357 0.030957 0.015859 0.036036 0.032556 -0.040768 1Rh 5px -0.105108 0.036912 -0.001703 -0.036719 -0.036269 -0.221013 1Rh 5py -0.083995 -0.039561 0.066590 -0.041392 0.086278 0.008869 1Rh 6pz -1.012683 -0.002029 0.066591 0.610231 0.071216 -0.474563 1Rh 6px 0.680579 -0.578943 0.023796 0.407474 0.088191 0.955645 1Rh 6py -1.767531 0.154623 0.177307 -0.225331 -0.063473 -0.164273 1Rh 1dz2 0.004960 0.014566 -0.004378 0.022897 0.007139 0.000138 1Rh 1dxz -0.012347 -0.022467 -0.006023 0.003815 -0.002409 0.010018 1Rh 1dyz -0.005493 -0.004573 0.010067 -0.005410 0.005010 0.003311 1Rh 1dx2y2 0.008783 -0.016546 0.005983 0.012436 0.007575 -0.006178 1Rh 1dxy 0.003621 -0.005236 -0.013928 0.007344 -0.001605 -0.001705 1Rh 2dz2 0.000780 0.000101 -0.004101 0.003398 0.002885 -0.002152 1Rh 2dxz -0.000523 -0.002380 -0.000274 0.000323 -0.000211 -0.001148 1Rh 2dyz -0.001060 -0.001315 -0.007553 -0.000066 0.005004 -0.000245 1Rh 2dx2y2 0.000308 -0.000746 -0.001009 0.001673 0.001491 0.003195 1Rh 2dxy -0.000465 -0.000426 -0.005539 0.001654 0.001420 0.001299 1Rh 3dz2 -0.019426 -0.047512 0.032924 -0.089791 -0.036447 0.009253 1Rh 3dxz 0.042438 0.083624 0.020784 -0.013953 0.008746 -0.027464 1Rh 3dyz 0.022640 0.020836 0.002059 0.018597 -0.039154 -0.009580 1Rh 3dx2y2 -0.030024 0.056890 -0.014655 -0.048058 -0.031434 0.005818 1Rh 3dxy -0.009706 0.018979 0.070400 -0.031025 -0.001386 -0.000256 1Rh 4dz2 0.017237 0.026095 -0.065611 0.085595 0.054678 -0.028016 1Rh 4dxz -0.031465 -0.073555 -0.014389 0.011567 -0.006417 0.002910 1Rh 4dyz -0.024945 -0.028742 -0.090110 -0.021974 0.082421 0.001076 1Rh 4dx2y2 0.023711 -0.039791 -0.004516 0.044275 0.034948 0.029313 1Rh 4dxy 0.002795 -0.016213 -0.103139 0.029936 0.020812 0.013290 1Rh 5dz2 0.015555 0.071511 0.046085 0.036735 -0.068546 0.025388 1Rh 5dxz -0.030119 0.002995 -0.013051 0.013216 -0.008993 0.023543 1Rh 5dyz -0.004286 0.060934 0.131438 0.149651 -0.163290 0.031270 1Rh 5dx2y2 -0.009969 -0.047584 0.040634 0.039526 -0.023739 -0.026928 1Rh 5dxy -0.050849 0.003571 0.072039 0.062025 -0.088169 -0.007690 1Rh 1f0 0.026878 -0.003502 0.009070 -0.013226 0.031456 0.003760 1Rh 1f+1 -0.006661 0.016018 0.008167 0.003369 0.011572 -0.014491 1Rh 1f-1 0.033603 -0.006867 0.012252 -0.025674 0.058734 -0.022147 1Rh 1f+2 -0.019899 0.003503 -0.012652 0.005769 -0.004789 0.066230 1Rh 1f-2 0.014886 -0.005505 0.016122 -0.003841 0.035623 0.033106 1Rh 1f+3 -0.022594 0.021143 -0.006868 0.004049 -0.025545 -0.022562 1Rh 1f-3 -0.005498 -0.001507 0.010058 -0.020784 0.038503 0.020722 2C 1s 0.016484 -0.024358 -0.011544 0.007309 -0.007197 0.002351 2C 2s 0.049451 -0.071183 -0.035872 0.019871 -0.022735 0.008261 2C 3s -0.029832 -0.380607 0.091073 0.373280 0.368011 -0.302381 2C 4s -1.467677 4.399070 0.999413 -2.894524 -1.151313 1.437887 2C 5s -0.730627 1.448222 0.536494 -2.200329 -0.517473 -1.762259 2C 1pz -0.065090 -0.061534 0.101250 0.081075 0.153028 -0.101371 2C 1px 0.049723 -0.045375 -0.098721 0.048924 -0.057932 0.061608 2C 1py -0.010091 -0.035761 0.013974 0.062736 0.062400 -0.041550 2C 2pz -0.205454 1.640212 0.041696 -1.176155 -1.130812 1.166580 2C 2px -0.286673 0.271854 0.770802 -0.192662 0.622237 -0.393232 2C 2py -0.212369 1.368706 0.382218 -1.303619 -0.473728 0.714184 2C 3pz -0.396327 0.799560 0.258397 -0.731679 -0.239850 -0.277182 2C 3px 0.010012 0.235212 0.000966 -0.150625 0.207757 -0.246307 2C 3py -0.311332 0.407906 0.190593 -0.468554 -0.109943 -0.238773 2C 1dz2 0.074127 -0.203914 -0.010380 0.095192 0.100850 -0.054501 2C 1dxz -0.065126 0.022695 0.076833 -0.046300 0.008697 -0.036686 2C 1dyz 0.115255 -0.171847 -0.091096 0.088519 -0.003406 -0.014724 2C 1dx2y2 -0.090847 0.039800 0.020207 -0.046114 -0.091776 0.068621 2C 1dxy -0.107535 -0.064892 0.071658 0.003263 -0.002525 -0.018679 2C 2dz2 -0.046344 0.559367 -0.144430 -0.274017 -0.520105 0.489958 2C 2dxz -0.158644 0.256208 0.362596 -0.323085 0.238432 -0.095449 2C 2dyz -0.239992 0.878558 0.275320 -0.581087 -0.282382 0.458577 2C 2dx2y2 0.058706 -0.219516 0.050869 0.259843 0.337786 -0.315829 2C 2dxy -0.058774 0.161614 0.220728 -0.004823 0.201331 -0.141484 2C 1f0 -0.000565 0.101415 -0.047886 -0.065294 -0.062710 0.054738 2C 1f+1 -0.016291 0.191044 0.050360 -0.208904 0.012464 0.031519 2C 1f-1 -0.092700 0.273038 0.123616 -0.090515 -0.039150 0.155030 2C 1f+2 0.100921 -0.114562 -0.031252 0.093643 -0.041685 0.024765 2C 1f-2 -0.037675 0.028577 0.062959 0.031605 0.004358 -0.008233 2C 1f+3 -0.042951 0.027213 0.030597 -0.000710 -0.002340 0.027002 2C 1f-3 -0.037817 0.049959 0.044107 0.057379 -0.136890 0.119559 3C 1s -0.003697 -0.018553 0.009600 -0.007512 0.003747 -0.001404 3C 2s -0.010901 -0.055131 0.029221 -0.020822 0.012443 -0.002569 3C 3s -0.201363 -0.154232 0.003525 -0.414564 -0.378952 -0.391419 3C 4s 1.478795 2.732919 -1.214733 3.257789 1.562930 2.355743 3C 5s -0.073503 0.403312 -0.746544 2.001349 0.876104 -1.101720 3C 1pz -0.001493 0.014988 -0.044087 -0.025136 -0.089511 -0.077339 3C 1px -0.011853 -0.030409 0.099865 -0.106714 0.022013 0.044610 3C 1py 0.052323 -0.006030 0.049736 0.080942 0.134367 0.113688 3C 2pz 0.427504 0.512724 -0.224892 1.221262 0.935628 1.106684 3C 2px 0.424630 0.522682 -0.952502 1.090862 -0.162869 -0.143736 3C 2py -0.684006 -0.978674 0.227853 -1.349971 -1.006675 -1.539440 3C 3pz -0.106710 0.182492 -0.162778 0.455027 0.236383 0.040543 3C 3px 0.046451 0.148371 -0.060958 0.279493 -0.068139 -0.213322 3C 3py -0.175287 -0.420017 0.332603 -0.679848 -0.333198 0.087626 3C 1dz2 0.183234 -0.069787 0.027868 0.010241 0.029434 0.014787 3C 1dxz 0.016587 -0.047831 -0.045346 0.006557 -0.072771 -0.098900 3C 1dyz 0.034547 0.154139 -0.091245 0.142109 0.043746 0.057405 3C 1dx2y2 -0.037772 0.072307 -0.024231 0.052110 0.078337 0.110695 3C 1dxy 0.056688 0.021032 0.008213 0.009517 -0.010291 -0.032569 3C 2dz2 -0.222269 -0.116187 0.042351 -0.005708 0.071137 -0.007065 3C 2dxz 0.041565 0.188332 -0.056737 0.274966 0.151042 0.290208 3C 2dyz -0.337750 -0.504176 0.117378 -0.486390 -0.459183 -0.644389 3C 2dx2y2 -0.105711 -0.224884 -0.045954 -0.363359 -0.487067 -0.680549 3C 2dxy -0.209887 -0.331249 0.544255 -0.700255 0.094645 0.023644 3C 1f0 -0.026341 -0.114546 0.042066 -0.003888 -0.040087 -0.161201 3C 1f+1 -0.051909 0.023552 -0.017862 -0.104517 0.099932 0.179518 3C 1f-1 0.021814 -0.111480 0.005788 0.002852 0.027377 -0.009491 3C 1f+2 -0.045415 -0.115379 0.051307 -0.026131 -0.034625 -0.090439 3C 1f-2 -0.011502 -0.136442 0.027712 -0.148417 0.061220 0.044127 3C 1f+3 0.126844 0.108900 -0.153037 0.186900 0.084233 0.154619 3C 1f-3 -0.070817 -0.059552 -0.003444 -0.150530 -0.071769 -0.083292 4C 1s -0.003443 0.001130 0.003003 0.009298 0.006506 0.004158 4C 2s -0.011265 0.003683 0.010317 0.028086 0.020038 0.010655 4C 3s 0.090700 0.370308 -0.086476 -0.350916 -0.334468 0.114956 4C 4s 0.125143 -2.208527 -0.191211 1.575973 1.273138 -1.150205 4C 5s 0.849201 -1.226153 -0.747431 0.217688 -0.627447 0.680854 4C 1pz 0.082440 -0.178559 -0.040304 0.072940 0.028312 -0.094482 4C 1px -0.046998 0.006640 0.027445 0.028971 -0.005929 -0.000195 4C 1py 0.052197 -0.080423 -0.016849 0.032375 0.000456 -0.031725 4C 2pz -0.473239 2.414854 0.103225 -1.604860 -1.294811 1.601718 4C 2px -0.729103 0.270279 1.180731 -0.523988 0.844406 -0.667174 4C 2py -0.591344 1.537159 0.466167 -1.145517 -0.394734 0.612270 4C 3pz -0.674190 1.256860 0.379506 -2.270171 -0.589177 -1.465395 4C 3px -0.301206 0.051921 0.391148 -0.202284 -0.561509 0.006139 4C 3py -0.446404 0.919541 0.296111 -1.420780 -0.562877 -0.872122 4C 1dz2 -0.079551 0.172834 0.199675 -0.199030 0.075827 0.019285 4C 1dxz 0.013277 0.072034 -0.153627 -0.005262 -0.256683 0.210109 4C 1dyz -0.024693 0.105254 0.056117 0.011349 -0.004426 0.045508 4C 1dx2y2 0.097881 -0.087021 -0.074907 0.150441 0.005394 -0.026091 4C 1dxy 0.049912 0.083184 -0.166927 -0.020512 -0.150920 0.138929 4C 2dz2 0.715112 -0.827140 -1.167900 0.927742 -0.658617 0.337035 4C 2dxz -0.363783 -0.625054 0.875225 0.373737 1.287765 -1.204173 4C 2dyz 0.267517 -1.016835 -0.483975 0.562393 0.003964 -0.331520 4C 2dx2y2 -0.434404 0.519148 0.470150 -0.645364 0.026113 -0.021571 4C 2dxy -0.403132 -0.083125 1.048172 -0.394163 1.072217 -0.860061 4C 1f0 0.081450 0.083662 0.011157 -0.077257 0.062898 0.032116 4C 1f+1 -0.033337 -0.014256 -0.053949 0.085130 -0.030231 0.012202 4C 1f-1 -0.206411 0.360280 0.140827 -0.118544 -0.075277 0.079880 4C 1f+2 0.032963 -0.062219 -0.017636 -0.025625 -0.162651 0.089158 4C 1f-2 -0.063250 0.097396 0.049731 -0.045684 0.015059 -0.000422 4C 1f+3 0.007468 0.179621 0.027670 -0.135524 -0.091978 0.120904 4C 1f-3 0.092420 -0.090748 -0.046712 0.238135 -0.095116 0.104553 5C 1s -0.000099 0.003851 -0.001803 -0.007935 -0.006571 0.002064 5C 2s -0.000854 0.011702 -0.006040 -0.024212 -0.019980 0.004492 5C 3s 0.334383 0.248987 0.004714 0.347176 0.351167 0.197740 5C 4s -1.532481 -1.760302 0.405880 -1.706348 -1.293639 -1.583758 5C 5s -0.301348 -1.265541 0.796208 -0.178513 0.420185 0.556159 5C 1pz -0.017485 -0.081263 0.017280 -0.033724 -0.006639 -0.065260 5C 1px 0.022828 -0.018018 -0.021349 -0.016543 0.022193 0.020094 5C 1py 0.042774 0.088308 -0.056888 0.087298 0.041494 0.116357 5C 2pz 0.386794 0.694393 0.004523 0.928822 0.891211 1.335304 5C 2px 0.296127 0.635572 -1.206960 1.424990 -0.498046 -0.462989 5C 2py -0.638466 -1.207457 0.483780 -1.834313 -1.306248 -1.974890 5C 3pz 0.144603 0.209254 -0.260447 1.222651 0.529371 -0.469932 5C 3px -0.139660 0.189220 -0.477825 0.596107 0.563537 -0.096944 5C 3py 0.108857 -0.269608 0.454831 -2.094298 -0.931974 0.734355 5C 1dz2 -0.087169 -0.053571 -0.022241 0.008346 -0.113501 -0.044585 5C 1dxz -0.062647 0.011662 0.041145 0.071232 0.112143 0.120105 5C 1dyz -0.091816 -0.097698 0.121450 -0.091750 0.070816 0.009563 5C 1dx2y2 -0.033160 -0.126869 0.199530 -0.276318 0.002619 -0.062375 5C 1dxy -0.037369 -0.053011 -0.163486 0.084505 -0.162574 -0.235558 5C 2dz2 0.060330 0.121074 0.465867 -0.392431 0.452357 0.475716 5C 2dxz 0.180001 -0.152110 -0.422758 -0.083159 -0.605844 -0.937159 5C 2dyz 0.474060 0.713657 -0.807984 0.825440 -0.326649 -0.044909 5C 2dx2y2 0.232400 0.766488 -1.261087 1.714333 -0.343821 -0.100171 5C 2dxy 0.302749 0.254626 0.705043 -0.112648 1.115869 1.427382 5C 1f0 -0.150578 -0.171074 0.137806 -0.217949 -0.160511 -0.186569 5C 1f+1 0.046062 -0.033551 0.036989 -0.242485 0.050568 0.077022 5C 1f-1 0.057963 -0.059891 -0.030668 0.061784 0.025023 -0.027365 5C 1f+2 -0.003616 -0.162780 0.082784 -0.059382 0.042007 -0.009780 5C 1f-2 -0.108364 -0.125159 0.026485 -0.052638 0.094872 0.128163 5C 1f+3 -0.049476 0.094160 0.016894 -0.069343 0.078474 0.150939 5C 1f-3 -0.103565 -0.016994 0.012722 0.008978 0.010688 0.045340 6C 1s -0.000911 -0.003678 0.001939 -0.008006 -0.006567 0.002036 6C 2s -0.003021 -0.011196 0.006467 -0.024418 -0.019950 0.004394 6C 3s 0.054001 -0.249194 -0.008670 0.352811 0.351114 0.202121 6C 4s 0.093274 1.764627 -0.387975 -1.725929 -1.295897 -1.584254 6C 5s 0.358895 1.269348 -0.809902 -0.167644 0.412594 0.580594 6C 1pz -0.055403 -0.082413 0.015855 0.033900 0.005960 0.063273 6C 1px -0.049651 -0.018136 -0.021467 0.015134 -0.022338 -0.018437 6C 1py 0.085138 0.089994 -0.054701 -0.088618 -0.041103 -0.114355 6C 2pz 0.825189 0.710786 0.031059 -0.946547 -0.878460 -1.320487 6C 2px -0.147849 0.636665 -1.203017 -1.404874 0.467386 0.461118 6C 2py -1.158629 -1.233715 0.443579 1.856055 1.299777 1.953297 6C 3pz 0.405281 0.226554 -0.247202 -1.232991 -0.526711 0.478574 6C 3px 0.122452 0.203950 -0.464677 -0.592293 -0.577092 0.085381 6C 3py -0.785003 -0.307765 0.432031 2.103972 0.932145 -0.753900 6C 1dz2 -0.018975 0.051467 0.021855 0.005305 -0.114013 -0.047691 6C 1dxz -0.151358 -0.014905 -0.044758 0.074047 0.111373 0.120199 6C 1dyz -0.035824 0.096370 -0.121976 -0.090246 0.069278 0.012233 6C 1dx2y2 0.024207 0.128788 -0.197742 -0.276060 -0.000954 -0.057990 6C 1dxy 0.068837 0.053628 0.164913 0.083285 -0.157719 -0.237072 6C 2dz2 -0.174159 -0.118593 -0.466453 -0.382837 0.439666 0.482798 6C 2dxz 0.753286 0.171210 0.436215 -0.094403 -0.583052 -0.921977 6C 2dyz 0.095184 -0.711049 0.809132 0.817953 -0.312983 -0.056672 6C 2dx2y2 -0.167307 -0.780323 1.251302 1.701513 -0.322954 -0.130862 6C 2dxy -0.568850 -0.262748 -0.721141 -0.089993 1.090491 1.421943 6C 1f0 -0.078700 -0.174033 0.134679 0.223560 0.161533 0.182761 6C 1f+1 -0.107037 -0.036804 0.035407 0.240640 -0.050726 -0.079441 6C 1f-1 -0.078379 -0.060402 -0.031510 -0.062417 -0.027236 0.026116 6C 1f+2 -0.097957 -0.163633 0.083187 0.058536 -0.041516 0.009506 6C 1f-2 0.054319 -0.121384 0.028529 0.050603 -0.092098 -0.125318 6C 1f+3 0.142469 0.096396 0.017626 0.067092 -0.075507 -0.150822 6C 1f-3 0.067065 -0.012914 0.014345 -0.007263 -0.009965 -0.043233 7C 1s -0.001703 -0.001292 -0.003219 0.009218 0.006474 0.004140 7C 2s -0.006693 -0.004230 -0.010987 0.027847 0.019904 0.010623 7C 3s 0.374255 -0.359207 0.096420 -0.359962 -0.329587 0.116213 7C 4s -1.410216 2.164871 0.159836 1.625672 1.252886 -1.144768 7C 5s 0.072454 1.234310 0.766721 0.261018 -0.635075 0.704536 7C 1pz -0.010317 -0.177521 -0.040084 -0.076275 -0.026210 0.091162 7C 1px 0.041631 0.009112 0.027497 -0.026104 0.004521 0.002626 7C 1py 0.006576 -0.080814 -0.017736 -0.033376 0.000065 0.031805 7C 2pz -0.642802 2.380517 0.080792 1.638546 1.261688 -1.576431 7C 2px 1.054090 0.253383 1.196066 0.505239 -0.807004 0.659027 7C 2py 0.021446 1.521282 0.464364 1.166632 0.394263 -0.609709 7C 3pz 0.444620 1.245388 0.367984 2.296658 0.577621 1.478285 7C 3px 0.505200 0.057165 0.384729 0.178450 0.584193 -0.033694 7C 3py 0.330184 0.916286 0.290485 1.440267 0.563145 0.877104 7C 1dz2 -0.073566 -0.165851 -0.199300 -0.201994 0.073259 0.016668 7C 1dxz 0.116926 -0.073625 0.156734 -0.004875 -0.252522 0.213417 7C 1dyz 0.058992 -0.105535 -0.057205 0.009452 -0.003654 0.044334 7C 1dx2y2 0.131201 0.088588 0.076229 0.151635 0.006927 -0.025591 7C 1dxy 0.115396 -0.081470 0.171381 -0.020373 -0.149822 0.143836 7C 2dz2 0.647376 0.800973 1.176878 0.931305 -0.643354 0.354686 7C 2dxz -0.923509 0.619292 -0.898100 0.383116 1.255105 -1.202310 7C 2dyz -0.177951 1.005086 0.486136 0.583065 0.001893 -0.321116 7C 2dx2y2 -0.391495 -0.519410 -0.479476 -0.649866 0.029558 -0.038675 7C 2dxy -0.934440 0.091890 -1.062385 -0.387344 1.040176 -0.866148 7C 1f0 -0.060355 0.075362 0.007870 0.077586 -0.060197 -0.033560 7C 1f+1 -0.001862 -0.014151 -0.053452 -0.084927 0.029362 -0.013754 7C 1f-1 0.026200 0.362295 0.142361 0.128226 0.071686 -0.077283 7C 1f+2 0.024437 -0.062838 -0.021345 0.024431 0.159273 -0.084101 7C 1f-2 0.042733 0.096931 0.050285 0.045533 -0.013053 -0.000148 7C 1f+3 -0.049294 0.178149 0.025768 0.140959 0.092298 -0.121792 7C 1f-3 -0.127823 -0.083609 -0.048041 -0.233913 0.092048 -0.102834 8C 1s 0.012015 0.018723 -0.009614 -0.007632 0.003757 -0.001153 8C 2s 0.034462 0.055591 -0.029324 -0.021155 0.012447 -0.001827 8C 3s 0.104215 0.157103 0.005649 -0.419920 -0.378001 -0.392727 8C 4s -1.645556 -2.767530 1.166224 3.290073 1.559433 2.322422 8C 5s -0.797414 -0.439755 0.728172 2.006848 0.882060 -1.121363 8C 1pz -0.025610 0.014532 -0.045667 0.026235 0.088669 0.077948 8C 1px 0.017681 -0.030845 0.099295 0.106279 -0.019099 -0.043956 8C 1py 0.020820 -0.005451 0.052426 -0.083006 -0.133315 -0.115185 8C 2pz 0.510063 0.527345 -0.202735 -1.234348 -0.932260 -1.093187 8C 2px -0.193138 0.519819 -0.945591 -1.081771 0.140922 0.148478 8C 2py -0.602238 -0.992971 0.200565 1.362636 1.000872 1.526562 8C 3pz 0.275047 0.194369 -0.156267 -0.454787 -0.237250 -0.034336 8C 3px 0.170970 0.150964 -0.062897 -0.280625 0.070828 0.219700 8C 3py -0.305632 -0.429696 0.324575 0.685317 0.336167 -0.092085 8C 1dz2 0.075730 0.073234 -0.026109 0.015101 0.026784 0.017452 8C 1dxz 0.059187 0.048857 0.046374 0.005709 -0.071329 -0.097184 8C 1dyz -0.083469 -0.156157 0.090100 0.143568 0.044790 0.055665 8C 1dx2y2 -0.115761 -0.076663 0.022323 0.054455 0.078892 0.111674 8C 1dxy 0.014877 -0.017364 -0.008555 0.008815 -0.009949 -0.029973 8C 2dz2 -0.083710 0.112374 -0.046953 -0.008851 0.073562 -0.007250 8C 2dxz -0.158897 -0.196008 0.052617 0.274211 0.147585 0.280783 8C 2dyz 0.223856 0.506335 -0.109654 -0.494872 -0.458393 -0.642235 8C 2dx2y2 0.359574 0.234470 0.060094 -0.368552 -0.482431 -0.677092 8C 2dxy 0.016969 0.330641 -0.539181 -0.697571 0.082269 0.027091 8C 1f0 -0.049726 -0.115011 0.041386 0.006386 0.037378 0.157193 8C 1f+1 0.057776 0.026156 -0.015830 0.103629 -0.096862 -0.176607 8C 1f-1 -0.010983 -0.111069 0.004998 -0.004070 -0.026901 0.007827 8C 1f+2 -0.039425 -0.115733 0.051734 0.026002 0.035896 0.091908 8C 1f-2 -0.081821 -0.136922 0.027443 0.145148 -0.059609 -0.043976 8C 1f+3 0.020661 0.109410 -0.150384 -0.190698 -0.085749 -0.150983 8C 1f-3 -0.071688 -0.060908 -0.005626 0.152673 0.070455 0.081739 9C 1s 0.005613 0.024525 0.011919 0.007960 -0.007340 0.002580 9C 2s 0.017898 0.071734 0.037032 0.021783 -0.023101 0.008900 9C 3s -0.232324 0.370152 -0.100532 0.378096 0.362946 -0.301775 9C 4s 0.576986 -4.352583 -0.986956 -2.975558 -1.115863 1.404860 9C 5s -0.447104 -1.439115 -0.531553 -2.235700 -0.507909 -1.780635 9C 1pz 0.111348 -0.058468 0.104486 -0.081255 -0.150001 0.101606 9C 1px -0.062238 -0.044597 -0.099231 -0.049827 0.055587 -0.061615 9C 1py 0.027494 -0.034824 0.016437 -0.064233 -0.062981 0.041957 9C 2pz -0.715969 1.611408 0.025263 1.197343 1.106410 -1.150966 9C 2px 0.352629 0.257412 0.774396 0.188156 -0.602269 0.397210 9C 2py -0.215521 1.335018 0.363813 1.317899 0.474369 -0.708269 9C 3pz 0.154846 0.794580 0.257629 0.746090 0.237249 0.279604 9C 3px -0.171815 0.229941 0.001823 0.161348 -0.214939 0.251034 9C 3py 0.137367 0.412354 0.191052 0.479896 0.107010 0.245863 9C 1dz2 0.045053 0.205331 0.012977 0.101883 0.098054 -0.052096 9C 1dxz -0.090070 -0.024692 -0.078520 -0.046889 0.009688 -0.038232 9C 1dyz 0.010189 0.171717 0.089913 0.091611 -0.001870 -0.016969 9C 1dx2y2 -0.053492 -0.046646 -0.019094 -0.047672 -0.090548 0.068922 9C 1dxy -0.122563 0.058140 -0.071498 0.001695 -0.007162 -0.017031 9C 2dz2 0.264184 -0.551754 0.147756 -0.279316 -0.505950 0.483457 9C 2dxz -0.182329 -0.244887 -0.360950 -0.324600 0.229370 -0.101263 9C 2dyz 0.156364 -0.866417 -0.265300 -0.595598 -0.285313 0.461589 9C 2dx2y2 -0.079403 0.221420 -0.051198 0.260439 0.328823 -0.309909 9C 2dxy 0.011117 -0.157833 -0.233777 -0.007831 0.209223 -0.150033 9C 1f0 -0.014037 0.097358 -0.047464 0.065137 0.059747 -0.052563 9C 1f+1 0.001214 0.183702 0.048469 0.210513 -0.010316 -0.031962 9C 1f-1 -0.017726 0.272767 0.122805 0.098199 0.038114 -0.153720 9C 1f+2 0.004984 -0.115358 -0.034523 -0.092733 0.039114 -0.020694 9C 1f-2 0.017745 0.029368 0.064872 -0.030023 -0.005670 0.012025 9C 1f+3 -0.001374 0.027612 0.032028 0.004325 -0.001527 -0.023987 9C 1f-3 -0.013651 0.053123 0.040847 -0.052917 0.129434 -0.111728 10H 1s 0.036486 0.006988 -0.027883 -0.002802 -0.016112 0.038646 10H 2s 0.290690 -0.463200 -0.289888 0.035772 -0.370678 0.253067 10H 3s -0.116681 0.106367 0.069732 -0.019690 -0.035274 0.147707 10H 1pz 0.099267 -0.075094 -0.134675 -0.036133 -0.127163 0.086484 10H 1px -0.112066 0.256226 0.027727 -0.064480 0.012342 0.023811 10H 1py 0.018166 -0.051711 -0.048190 0.054818 -0.124379 0.094746 11H 1s -0.022223 0.103088 0.011860 -0.053079 -0.040259 0.031576 11H 2s 0.310900 -0.737557 -0.106714 0.600489 0.052759 -0.067218 11H 3s -0.076546 0.274038 0.046718 -0.095857 0.056716 0.079623 11H 1pz 0.055569 -0.259869 0.025730 0.258230 0.047262 -0.038503 11H 1px 0.097414 -0.242268 -0.074222 0.132473 0.033051 -0.048669 11H 1py -0.183535 0.221463 0.130481 -0.084272 0.093853 -0.074532 12H 1s -0.071497 0.073287 0.040291 -0.044830 -0.013259 -0.005219 12H 2s 0.366072 -0.443638 -0.028460 0.038041 0.080350 0.081756 12H 3s -0.163421 0.091539 0.053505 0.069655 0.019885 0.025491 12H 1pz -0.132519 0.192143 0.163949 -0.101502 0.089431 -0.031475 12H 1px 0.077949 -0.057573 -0.008645 0.048063 -0.051873 0.054596 12H 1py 0.177806 -0.229138 -0.035425 0.010942 0.053009 0.008634 13H 1s 0.029111 -0.008344 0.026462 -0.010358 0.032376 0.044934 13H 2s -0.241966 -0.398671 0.302089 -0.088096 0.212239 0.276726 13H 3s 0.050652 0.118562 -0.052318 0.037199 0.052253 0.149640 13H 1pz -0.104713 -0.156096 0.066692 -0.079759 0.071575 0.104184 13H 1px 0.037594 0.131407 -0.023919 0.002814 0.054958 0.097066 13H 1py -0.002126 0.059352 -0.120570 -0.015335 -0.093153 -0.082002 14H 1s -0.035632 0.028740 -0.049030 0.064207 -0.008323 0.002642 14H 2s 0.047497 -0.376679 -0.115519 0.054421 -0.022203 -0.173853 14H 3s -0.054010 0.145527 0.029939 -0.006622 -0.087505 0.090742 14H 1pz -0.007669 -0.110428 -0.014693 0.052549 -0.068816 -0.118955 14H 1px 0.022435 -0.176752 -0.004994 -0.043239 0.035521 -0.012808 14H 1py -0.057827 -0.103917 0.173153 -0.137109 0.029595 0.024421 15H 1s 0.053867 0.067430 -0.014178 0.050069 0.061963 0.052550 15H 2s -0.077169 -0.289456 0.242265 -0.548769 -0.212100 -0.134833 15H 3s 0.154678 0.186234 -0.085857 0.063749 0.009526 0.060940 15H 1pz 0.046328 0.224564 -0.123139 0.114384 -0.022368 0.019217 15H 1px -0.032445 0.015799 0.027034 -0.010185 -0.094815 -0.111807 15H 1py 0.069037 0.079316 -0.067982 0.264861 0.107339 0.049708 16H 1s 0.060241 0.009137 -0.005684 -0.026758 0.011751 -0.014337 16H 2s -0.573268 -0.188856 0.144138 0.122391 0.059211 -0.157683 16H 3s 0.068929 -0.003230 -0.033280 -0.023420 -0.002176 0.042777 16H 1pz -0.173763 -0.074247 0.071806 0.031917 0.033186 -0.066140 16H 1px -0.019504 0.001146 -0.011737 -0.015451 -0.008138 0.006170 16H 1py -0.032894 -0.005384 0.031090 0.020260 0.010341 -0.015035 17H 1s 0.059882 -0.014313 0.024804 0.007992 0.007250 -0.006429 17H 2s -0.470306 -0.205363 -0.170248 -0.166475 -0.060117 -0.129736 17H 3s 0.004531 0.035397 0.023940 0.035264 0.018083 0.057330 17H 1pz 0.115208 0.069360 0.027635 0.039748 0.004968 0.044383 17H 1px 0.082325 0.041387 0.060565 0.040427 0.016826 0.038757 17H 1py -0.033231 -0.033526 -0.044694 -0.028611 -0.016316 -0.015740 18H 1s 0.052205 0.015146 -0.023717 0.007359 0.006636 -0.006924 18H 2s -0.472548 0.196348 0.160161 -0.149740 -0.055536 -0.132703 18H 3s 0.003161 -0.035557 -0.024320 0.035313 0.015668 0.061678 18H 1pz -0.118292 0.068221 0.025597 -0.036975 -0.004055 -0.046974 18H 1px -0.089069 0.039480 0.058558 -0.035197 -0.015836 -0.039096 18H 1py 0.026884 -0.031299 -0.043284 0.024621 0.015458 0.014683 19H 1s 0.062317 -0.007709 0.006780 -0.027312 0.012106 -0.015532 19H 2s -0.609178 0.173622 -0.157727 0.129455 0.062173 -0.161529 19H 3s 0.065688 0.004989 0.033725 -0.021194 -0.001425 0.045746 19H 1pz 0.190629 -0.068972 0.076196 -0.033996 -0.034229 0.067369 19H 1px 0.010219 0.001272 -0.012046 0.016259 0.008506 -0.006351 19H 1py 0.043204 -0.005997 0.032665 -0.021047 -0.010960 0.017533 20H 1s -0.015448 -0.067752 0.013606 0.051583 0.062040 0.053164 20H 2s 0.405742 0.300305 -0.234227 -0.556346 -0.211648 -0.128058 20H 3s -0.029417 -0.184724 0.085337 0.066500 0.009926 0.060348 20H 1pz 0.123322 0.226976 -0.123173 -0.116418 0.022590 -0.015667 20H 1px -0.006527 0.013245 0.026306 0.013809 0.093578 0.109485 20H 1py 0.146012 0.082618 -0.064030 -0.268615 -0.107381 -0.048517 21H 1s -0.063592 -0.030312 0.047963 0.064512 -0.007073 0.003285 21H 2s 0.435286 0.385693 0.114763 0.047272 -0.012301 -0.169168 21H 3s -0.142930 -0.148289 -0.028553 -0.007311 -0.090449 0.088584 21H 1pz -0.111087 -0.113614 -0.015189 -0.048717 0.065198 0.117703 21H 1px -0.175749 -0.179117 -0.005278 0.044472 -0.037734 0.010955 21H 1py -0.009767 -0.104336 0.173314 0.138083 -0.026461 -0.025310 22H 1s -0.006182 0.008565 -0.026775 -0.009746 0.030736 0.043601 22H 2s -0.007013 0.391462 -0.305584 -0.089565 0.206527 0.273247 22H 3s -0.017241 -0.118899 0.049692 0.038688 0.053587 0.150462 22H 1pz -0.003524 -0.152991 0.067866 0.080278 -0.069412 -0.102335 22H 1px 0.112400 0.132565 -0.022693 -0.005717 -0.053116 -0.095790 22H 1py -0.037066 0.058871 -0.121832 0.016511 0.091053 0.082379 23H 1s -0.051858 -0.074870 -0.039112 -0.047930 -0.014938 -0.004600 23H 2s 0.002387 0.458204 0.042541 0.059994 0.063906 0.091138 23H 3s -0.028731 -0.097501 -0.056932 0.065401 0.022690 0.023998 23H 1pz 0.112824 0.192239 0.164977 0.106033 -0.086455 0.031574 23H 1px -0.026569 -0.056103 -0.011577 -0.049059 0.050740 -0.052517 23H 1py 0.005067 -0.235858 -0.039616 -0.022209 -0.044963 -0.014221 24H 1s 0.032683 -0.102321 -0.012666 -0.055168 -0.038252 0.031679 24H 2s 0.094903 0.732030 0.106220 0.617152 0.045788 -0.059868 24H 3s 0.038969 -0.270945 -0.047468 -0.102404 0.058758 0.079868 24H 1pz 0.009260 -0.254006 0.028370 -0.261728 -0.046516 0.039167 24H 1px -0.028069 -0.244879 -0.075627 -0.141100 -0.027446 0.042296 24H 1py 0.074107 0.220968 0.134516 0.087856 -0.093640 0.074228 25H 1s 0.047816 -0.005487 0.027526 -0.002436 -0.014587 0.036558 25H 2s 0.087982 0.463508 0.294624 0.048632 -0.365929 0.252486 25H 3s -0.087628 -0.107480 -0.069984 -0.018645 -0.038494 0.149080 25H 1pz -0.077500 -0.078797 -0.135643 0.031897 0.125834 -0.088577 25H 1px -0.024135 0.256495 0.029189 0.071160 -0.014487 -0.023718 25H 1py -0.016193 -0.046623 -0.050913 -0.053676 0.120404 -0.090783 26O 1s -0.024102 0.001698 -0.002307 0.021652 -0.018236 -0.004629 26O 2s -0.083666 0.005772 -0.008916 0.076635 -0.066087 -0.013920 26O 3s 0.576346 -0.036410 0.150325 -0.660247 0.602862 0.012524 26O 4s -0.651516 -0.127411 -1.099954 1.768999 -1.941039 0.553142 26O 5s 2.282659 -0.383691 -0.823812 0.080348 1.045589 0.857664 26O 1pz 0.016358 -0.065983 -0.078902 -0.048566 -0.104266 0.050284 26O 1px 0.226738 -0.052063 -0.186528 0.073430 0.015125 0.079891 26O 1py 0.120140 0.018906 -0.077611 -0.128451 0.009208 0.075424 26O 2pz -0.070362 0.202473 0.170937 -0.010395 0.201158 -0.080698 26O 2px -0.731015 0.167719 0.838502 -0.557860 0.472250 -0.588701 26O 2py -0.396456 -0.006212 0.327282 0.109168 0.143435 -0.314932 26O 3pz 0.572242 -0.069109 -0.141716 -0.017182 -0.080485 0.506181 26O 3px 0.251749 0.237719 0.175897 -0.088547 -0.083363 0.198784 26O 3py 0.301337 -0.025642 0.017216 -0.169687 -0.074466 0.368345 26O 1dz2 -0.003493 0.004077 0.008347 -0.003176 -0.000447 -0.001577 26O 1dxz 0.008482 -0.002120 -0.007951 -0.000603 -0.004807 0.002410 26O 1dyz 0.003743 0.001473 0.004078 -0.009433 0.003094 0.001724 26O 1dx2y2 0.001833 0.002352 -0.004408 0.000055 0.002476 0.000600 26O 1dxy 0.001841 -0.002936 -0.007631 0.002775 -0.003042 0.000137 26O 2dz2 -0.040097 0.014661 0.079257 -0.014230 0.003979 -0.030678 26O 2dxz -0.043163 -0.025809 -0.030110 0.054472 -0.125042 0.031644 26O 2dyz -0.036416 0.031295 0.103542 -0.067019 0.021094 -0.007908 26O 2dx2y2 0.039784 -0.089560 -0.035474 0.153255 0.014657 0.003368 26O 2dxy 0.045007 0.089320 0.013017 -0.113686 0.035060 0.047486 26O 1f0 0.008832 -0.012495 0.010613 0.005009 0.025941 -0.016951 26O 1f+1 0.005625 -0.006828 -0.003132 0.016866 -0.013540 0.012016 26O 1f-1 -0.006408 -0.000080 0.004909 0.009029 -0.004023 -0.002524 26O 1f+2 -0.002589 0.011312 -0.020516 -0.001546 -0.029285 0.026612 26O 1f-2 -0.005364 0.010947 0.004329 -0.016855 -0.014863 0.014665 26O 1f+3 -0.005444 0.024975 -0.014458 -0.019828 -0.027117 0.025598 26O 1f-3 0.004593 0.001883 -0.011559 0.014512 -0.016680 0.011214 27O 1s 0.020166 0.002551 -0.003293 -0.010823 0.013440 -0.003471 27O 2s 0.070049 0.007836 -0.010523 -0.039408 0.049121 -0.009359 27O 3s -0.528192 -0.038896 -0.000137 0.419291 -0.454919 -0.024273 27O 4s 0.953753 -0.189866 0.756402 -1.642514 1.485003 0.588521 27O 5s -0.703756 -0.072348 1.004935 -1.175643 -0.995477 0.445370 27O 1pz -0.008859 -0.026169 -0.045559 0.157069 0.046341 -0.029655 27O 1px -0.090731 -0.017488 0.191948 -0.145961 -0.045541 0.014585 27O 1py 0.104135 0.064191 -0.097002 -0.042328 -0.045670 -0.058572 27O 2pz -0.038577 0.039997 0.150128 -0.381009 -0.047169 0.140469 27O 2px 0.106689 0.115016 -0.828957 0.926346 -0.315418 -0.464717 27O 2py -0.237563 -0.159412 0.270358 -0.098274 0.113912 0.150723 27O 3pz -0.352329 -0.045428 0.123804 -0.028645 -0.015883 0.163650 27O 3px -0.241224 -0.023702 -0.184820 0.120408 0.107090 0.151431 27O 3py 0.092959 0.098584 -0.110811 0.092913 0.014254 -0.372413 27O 1dz2 0.004807 0.000738 -0.002059 0.001573 0.004132 -0.002496 27O 1dxz -0.006272 -0.002715 -0.000132 -0.000513 0.001696 -0.000259 27O 1dyz 0.001377 -0.005322 0.005424 -0.007586 0.001890 -0.001926 27O 1dx2y2 0.002008 0.000314 0.009605 -0.010209 -0.001939 -0.003720 27O 1dxy -0.002394 0.002980 -0.005458 0.001751 -0.004603 0.000919 27O 2dz2 -0.009672 -0.026627 0.010897 0.013996 0.020593 -0.038699 27O 2dxz 0.093292 0.004230 -0.095737 0.191822 0.067467 -0.030383 27O 2dyz -0.033632 -0.033320 0.125295 -0.127120 0.040602 0.018585 27O 2dx2y2 0.026510 0.021280 0.067322 -0.060328 -0.023754 0.003485 27O 2dxy 0.085694 0.007318 -0.015797 0.011745 -0.046678 -0.088423 27O 1f0 -0.002761 -0.005387 -0.003434 -0.012034 -0.019095 -0.015648 27O 1f+1 0.007314 -0.002599 0.005557 -0.006395 0.013075 0.010567 27O 1f-1 0.004249 0.001261 -0.001884 0.005903 0.006726 0.005807 27O 1f+2 0.002400 0.003340 0.013110 0.006268 0.020594 0.021676 27O 1f-2 0.005242 0.007206 0.017237 -0.011504 0.007349 0.007826 27O 1f+3 0.002123 0.004935 0.012805 -0.019102 0.023292 0.032788 27O 1f-3 -0.004630 0.008540 0.008826 0.023184 0.019768 0.029555 28O 1s 0.027835 0.008670 -0.012048 -0.010921 0.021084 -0.023425 28O 2s 0.095269 0.030393 -0.042625 -0.038510 0.073853 -0.082781 28O 3s -0.675959 -0.200992 0.291646 0.258709 -0.645429 0.704920 28O 4s 1.101922 0.088833 -0.199054 -0.320319 1.853393 -1.969776 28O 5s -1.608445 -1.159694 1.401876 1.735594 0.340834 0.643277 28O 1pz -0.077391 -0.009580 0.038963 0.022598 -0.157584 0.190026 28O 1px 0.255129 0.017974 -0.351451 -0.106986 -0.284988 0.169041 28O 1py 0.029365 -0.040151 -0.129144 0.049859 -0.225620 0.143412 28O 2pz 0.152647 0.192312 -0.167950 -0.221215 -0.000956 -0.120975 28O 2px -0.606479 -0.177953 0.924469 0.306887 1.019357 -0.721806 28O 2py -0.042447 0.129501 0.290446 -0.139972 0.445470 -0.258345 28O 3pz -0.413691 0.057666 0.018408 -0.089313 -0.029990 0.364321 28O 3px 0.064190 -0.185552 0.148929 0.084871 0.045693 -0.044962 28O 3py -0.100558 -0.158497 0.121451 0.110154 0.011494 0.203146 28O 1dz2 0.006103 -0.006795 -0.007013 0.003068 -0.006015 0.005087 28O 1dxz 0.003564 0.004262 -0.010152 -0.003724 -0.007768 0.007275 28O 1dyz 0.004773 -0.005441 -0.003274 0.003006 -0.006718 0.007025 28O 1dx2y2 -0.001665 0.006917 0.010650 -0.000773 0.014236 -0.002386 28O 1dxy -0.007053 0.001966 0.003813 -0.000311 0.002553 -0.002278 28O 2dz2 0.109515 -0.001105 -0.146984 -0.008719 -0.128226 0.150204 28O 2dxz 0.062919 0.003197 -0.089530 -0.035839 -0.046500 0.007412 28O 2dyz 0.039833 -0.036718 -0.177109 0.018049 -0.125782 0.096556 28O 2dx2y2 -0.116727 -0.006673 0.157969 0.051004 0.138400 -0.092371 28O 2dxy 0.029981 0.014226 0.066910 -0.021068 0.070105 -0.004829 28O 1f0 -0.003916 -0.003081 0.004108 -0.002579 0.003303 -0.002171 28O 1f+1 0.014704 -0.039136 -0.028432 0.042364 0.004581 -0.018077 28O 1f-1 0.008049 -0.009265 -0.013528 0.000630 -0.002466 -0.000488 28O 1f+2 -0.006614 0.005301 0.000438 0.000256 -0.018471 0.013173 28O 1f-2 0.004738 0.000149 -0.002636 -0.001298 0.007625 -0.008290 28O 1f+3 0.005135 -0.017496 -0.016613 0.020232 -0.006509 0.000788 28O 1f-3 0.021465 -0.010784 -0.028927 0.003117 -0.005729 0.009539 29O 1s -0.017905 -0.009450 -0.000362 -0.000132 -0.001588 0.000385 29O 2s -0.059970 -0.031654 -0.001408 -0.000336 -0.005740 0.001278 29O 3s 0.375644 0.201619 0.011792 -0.000232 0.046224 -0.016892 29O 4s -0.549489 -0.316970 -0.021524 -0.017281 -0.085038 -0.075058 29O 5s 1.188194 0.626516 0.026113 0.123789 0.063893 0.678476 29O 1pz 0.045861 0.020022 -0.008636 0.002909 -0.007137 -0.014807 29O 1px -0.095130 -0.066876 0.010214 -0.001749 -0.005719 0.044497 29O 1py -0.013610 0.022708 0.000233 0.008251 -0.001796 0.045071 29O 2pz -0.153023 -0.054700 0.119988 0.052035 0.050456 -0.003064 29O 2px 0.273599 0.181653 0.020368 0.036725 0.021377 -0.021021 29O 2py -0.088254 -0.103192 -0.007389 -0.029102 0.003562 -0.133266 29O 3pz -0.051182 0.055267 0.034422 0.139835 0.036965 0.029748 29O 3px -0.189770 -0.147807 0.024976 0.008646 -0.015230 -0.225048 29O 3py -0.471432 -0.106760 -0.023292 -0.039045 -0.000268 -0.060449 29O 1dz2 -0.001716 -0.001356 0.003046 0.002102 0.002103 -0.004220 29O 1dxz 0.002086 -0.000870 -0.000773 -0.003693 -0.001202 -0.003080 29O 1dyz -0.002753 0.000428 0.005278 0.000544 0.002345 0.000750 29O 1dx2y2 0.002198 0.002043 0.000901 -0.000947 0.000537 0.006444 29O 1dxy 0.005228 0.000934 0.003560 0.001864 -0.000952 0.001493 29O 2dz2 0.035107 0.014011 -0.020697 -0.008238 -0.009769 0.006802 29O 2dxz 0.031126 0.024960 0.024924 0.001156 0.004449 -0.006173 29O 2dyz 0.023173 0.005257 -0.045142 -0.036603 -0.020633 0.013905 29O 2dx2y2 -0.017773 -0.002004 0.010069 -0.000343 0.008525 0.028212 29O 2dxy -0.030462 -0.043843 -0.007126 -0.020060 -0.006413 -0.015449 29O 1f0 -0.012943 -0.004309 -0.002783 -0.000259 -0.001942 0.000466 29O 1f+1 0.004955 0.001924 -0.000720 0.000171 0.000129 0.000059 29O 1f-1 -0.014600 -0.003302 0.001501 0.003326 -0.001352 0.000125 29O 1f+2 0.003806 0.000551 -0.001242 -0.002444 -0.000436 -0.000845 29O 1f-2 -0.012654 0.001270 -0.003893 -0.002229 0.000853 -0.000238 29O 1f+3 -0.004034 -0.001175 0.000435 0.000651 0.000341 -0.004070 29O 1f-3 0.004603 -0.000863 0.001433 -0.000101 0.001563 0.001423 30O 1s -0.006939 0.002153 0.010507 -0.004818 -0.013167 -0.027245 30O 2s -0.025847 0.008034 0.037325 -0.016139 -0.046602 -0.096743 30O 3s 0.195628 -0.077771 -0.255632 0.123586 0.431780 0.846094 30O 4s -0.385814 0.123763 0.147776 -0.177519 -1.346639 -2.430035 30O 5s 0.971982 0.152299 -1.163584 -0.439800 -0.708758 0.534040 30O 1pz 0.017525 -0.012651 -0.017241 -0.011239 0.048222 0.144479 30O 1px -0.094625 -0.130408 0.314377 -0.059666 0.273661 0.192494 30O 1py -0.088749 0.080378 0.057407 -0.033267 -0.183468 -0.202569 30O 2pz -0.038614 0.008702 0.089686 0.038935 0.124853 0.010221 30O 2px 0.235721 0.310249 -0.825620 0.184031 -0.905523 -0.843052 30O 2py 0.252428 -0.169653 -0.167664 -0.033180 0.144134 0.088099 30O 3pz 0.360605 -0.112994 0.026058 0.269980 0.085637 0.422738 30O 3px 0.005228 0.022238 -0.153998 -0.116419 -0.164911 -0.044527 30O 3py -0.284800 0.179877 0.065869 -0.431345 -0.151064 -0.530349 30O 1dz2 -0.001624 -0.002972 0.004701 -0.001425 0.004244 0.002555 30O 1dxz -0.008679 -0.001514 0.011096 0.000929 0.002378 0.003305 30O 1dyz -0.005497 0.003789 -0.000274 -0.001422 -0.001251 -0.005493 30O 1dx2y2 -0.000903 0.009453 -0.009437 0.004269 -0.011932 -0.003867 30O 1dxy -0.003378 -0.000683 -0.005241 0.001874 -0.007432 -0.003301 30O 2dz2 -0.073175 -0.018052 0.092458 -0.005619 0.038442 0.047231 30O 2dxz 0.043038 -0.061692 0.057592 0.017220 0.082462 0.040891 30O 2dyz -0.040904 0.018245 -0.127709 0.024364 -0.064820 -0.102857 30O 2dx2y2 -0.001510 0.085393 -0.165757 0.040073 -0.171593 -0.126204 30O 2dxy 0.046308 0.019992 -0.109231 0.002500 -0.040775 -0.050476 30O 1f0 0.008664 0.004084 -0.007989 0.008689 -0.003173 -0.004482 30O 1f+1 0.010737 -0.011570 0.011065 -0.007255 0.010647 -0.004603 30O 1f-1 -0.005683 0.003216 -0.005936 -0.002743 -0.003211 -0.005640 30O 1f+2 -0.007002 -0.005332 0.011807 -0.027380 -0.002327 0.000930 30O 1f-2 -0.002883 0.001023 -0.002800 0.010467 0.016571 0.032179 30O 1f+3 -0.001700 -0.020771 0.037169 -0.041365 -0.007415 -0.014643 30O 1f-3 0.010048 0.003593 -0.012141 0.009759 0.011874 0.007528 31O 1s -0.016053 -0.002195 -0.010183 -0.004714 -0.013427 -0.027345 31O 2s -0.056837 -0.008190 -0.036190 -0.015804 -0.047460 -0.096964 31O 3s 0.380961 0.076985 0.245443 0.122878 0.435954 0.844656 31O 4s -0.341800 -0.110808 -0.119093 -0.186354 -1.338240 -2.412839 31O 5s 2.179861 -0.117809 1.183792 -0.477107 -0.669501 0.542116 31O 1pz -0.025761 -0.012265 -0.016061 0.010530 -0.046340 -0.142095 31O 1px 0.193154 -0.127451 0.318950 0.054163 -0.267671 -0.198979 31O 1py 0.089464 0.081329 0.053168 0.037545 0.184937 0.205065 31O 2pz 0.185173 0.013225 0.092419 -0.041990 -0.124288 -0.009940 31O 2px -0.615822 0.297028 -0.841457 -0.165078 0.883819 0.850055 31O 2py -0.410515 -0.179854 -0.165661 0.028759 -0.152677 -0.100555 31O 3pz -0.312890 -0.117820 0.028587 -0.272065 -0.083847 -0.409988 31O 3px -0.246818 0.021500 -0.159291 0.122806 0.158863 0.037530 31O 3py 0.168942 0.182765 0.057663 0.437063 0.149486 0.517811 31O 1dz2 -0.000898 0.002893 -0.004703 -0.001273 0.004256 0.002676 31O 1dxz -0.009371 0.001367 -0.011198 0.000949 0.002236 0.003485 31O 1dyz -0.008278 -0.003930 0.000266 -0.001332 -0.001244 -0.005324 31O 1dx2y2 -0.002951 -0.009606 0.009576 0.004171 -0.011809 -0.004152 31O 1dxy 0.000233 0.000543 0.005272 0.001796 -0.007322 -0.003539 31O 2dz2 -0.107082 0.015619 -0.093659 -0.004636 0.034425 0.046636 31O 2dxz 0.016763 0.062017 -0.058792 0.019717 0.082589 0.042074 31O 2dyz -0.024246 -0.019583 0.128061 0.025098 -0.062921 -0.104917 31O 2dx2y2 0.037128 -0.086234 0.168551 0.037200 -0.169553 -0.130833 31O 2dxy 0.088861 -0.018280 0.110537 0.002737 -0.036224 -0.048243 31O 1f0 -0.007457 0.003925 -0.008174 -0.008777 0.002946 0.004341 31O 1f+1 -0.011734 -0.012029 0.010973 0.006860 -0.010746 0.004077 31O 1f-1 0.001652 0.003246 -0.006042 0.002723 0.002894 0.005433 31O 1f+2 0.000351 -0.005385 0.011662 0.027446 0.002696 -0.000814 31O 1f-2 0.013059 0.001635 -0.002291 -0.010903 -0.016202 -0.031500 31O 1f+3 -0.012897 -0.021219 0.036600 0.041733 0.008132 0.014108 31O 1f-3 0.001384 0.003815 -0.012052 -0.010348 -0.011945 -0.007167 32O 1s -0.019966 0.008972 0.000031 0.000121 -0.001519 0.000068 32O 2s -0.066942 0.030038 0.000330 0.000471 -0.005524 0.000203 32O 3s 0.422076 -0.191155 -0.005761 -0.004249 0.045238 -0.009514 32O 4s -0.624670 0.299948 0.014773 -0.012946 -0.083905 -0.088933 32O 5s 1.299399 -0.591014 -0.005568 0.100928 0.055830 0.703624 32O 1pz -0.044139 0.018438 -0.009351 -0.003073 0.006986 0.014425 32O 1px 0.104055 -0.065314 0.012313 0.001194 0.005242 -0.041668 32O 1py -0.001861 0.021903 -0.000145 -0.007870 0.002517 -0.047075 32O 2pz 0.161612 -0.047245 0.123464 -0.050834 -0.050063 0.003184 32O 2px -0.295247 0.177097 0.013701 -0.031397 -0.019066 0.013828 32O 2py 0.126280 -0.098748 -0.000805 0.022743 -0.007151 0.138585 32O 3pz 0.031094 0.057077 0.037073 -0.137681 -0.037916 -0.033089 32O 3px 0.220837 -0.139759 0.026958 -0.008969 0.013184 0.235599 32O 3py 0.449940 -0.098574 -0.014578 0.030973 -0.001360 0.060693 32O 1dz2 -0.001825 0.001339 -0.003141 0.002087 0.002140 -0.004335 32O 1dxz 0.001380 0.000872 0.000840 -0.003566 -0.001188 -0.003154 32O 1dyz -0.003180 -0.000518 -0.005373 0.000433 0.002306 0.000717 32O 1dx2y2 0.002364 -0.001929 -0.000871 -0.000994 0.000514 0.006461 32O 1dxy 0.005336 -0.000889 -0.003469 0.001707 -0.000985 0.001493 32O 2dz2 0.042558 -0.012763 0.018720 -0.007828 -0.008799 0.006759 32O 2dxz 0.031387 -0.025423 -0.025216 0.000236 0.004598 -0.006120 32O 2dyz 0.028738 -0.004590 0.047030 -0.036042 -0.021415 0.015244 32O 2dx2y2 -0.020887 0.001272 -0.012582 0.001148 0.009296 0.028374 32O 2dxy -0.035219 0.042443 0.004558 -0.017268 -0.005350 -0.016346 32O 1f0 0.012683 -0.003808 -0.002691 0.000145 0.001864 -0.000601 32O 1f+1 -0.006415 0.001771 -0.000630 -0.000118 -0.000159 -0.000115 32O 1f-1 0.015460 -0.003183 0.001623 -0.003392 0.001426 -0.000198 32O 1f+2 -0.005486 0.000476 -0.001274 0.002548 0.000342 0.000797 32O 1f-2 0.010591 0.001561 -0.003747 0.002248 -0.000919 0.000134 32O 1f+3 0.004159 -0.001049 0.000251 -0.000579 -0.000286 0.004084 32O 1f-3 -0.003226 -0.000987 0.001341 0.000142 -0.001484 -0.001357 33O 1s 0.036343 -0.007972 0.012173 -0.011651 0.021537 -0.023789 33O 2s 0.124565 -0.028030 0.043024 -0.041044 0.075359 -0.083892 33O 3s -0.874006 0.183792 -0.292888 0.276935 -0.653694 0.710165 33O 4s 1.216670 -0.056300 0.191622 -0.349384 1.849388 -1.968815 33O 5s -2.336717 1.121421 -1.430889 1.793837 0.281152 0.667095 33O 1pz 0.114940 -0.008367 0.035877 -0.021900 0.157428 -0.188259 33O 1px -0.323343 0.014902 -0.359415 0.106708 0.280242 -0.175112 33O 1py -0.065780 -0.038924 -0.130917 -0.051150 0.220924 -0.144154 33O 2pz -0.312565 0.190262 -0.165910 0.222863 -0.008581 0.124699 33O 2px 0.856076 -0.174085 0.947390 -0.310689 -0.997516 0.727908 33O 2py 0.123592 0.127243 0.293394 0.143781 -0.435306 0.261257 33O 3pz 0.530397 0.055582 0.024756 0.089728 0.021332 -0.343736 33O 3px -0.001104 -0.184209 0.148370 -0.091628 -0.035823 0.035211 33O 3py 0.188758 -0.158181 0.123835 -0.115010 -0.010196 -0.196908 33O 1dz2 0.003444 0.006877 0.007183 0.003270 -0.006022 0.005142 33O 1dxz 0.005913 -0.004258 0.010229 -0.003681 -0.007714 0.007670 33O 1dyz 0.004319 0.005720 0.003429 0.003350 -0.006718 0.007002 33O 1dx2y2 -0.002803 -0.006787 -0.010868 -0.000970 0.014204 -0.002797 33O 1dxy -0.004446 -0.002050 -0.003883 -0.000328 0.002510 -0.002213 33O 2dz2 0.108042 0.002446 0.151976 -0.007927 -0.128512 0.154055 33O 2dxz 0.080353 -0.001420 0.090104 -0.035698 -0.042442 0.004833 33O 2dyz 0.090104 0.038556 0.178080 0.022144 -0.122258 0.098750 33O 2dx2y2 -0.130679 0.004395 -0.162353 0.051254 0.136047 -0.094095 33O 2dxy -0.006456 -0.012995 -0.065871 -0.021467 0.066826 -0.005523 33O 1f0 0.005286 -0.003130 0.004009 0.002330 -0.003019 0.002041 33O 1f+1 -0.014684 -0.038445 -0.028165 -0.043258 -0.004700 0.017527 33O 1f-1 -0.006401 -0.009488 -0.013571 -0.001276 0.002389 0.000278 33O 1f+2 0.002543 0.005789 0.000330 0.000322 0.017881 -0.012488 33O 1f-2 -0.001047 -0.000245 -0.002817 0.001078 -0.007182 0.007931 33O 1f+3 -0.005884 -0.016873 -0.016761 -0.020669 0.006213 -0.000897 33O 1f-3 -0.016036 -0.011502 -0.029411 -0.003710 0.005688 -0.010072 34O 1s 0.020498 -0.002081 0.003288 -0.010832 0.013633 -0.002569 34O 2s 0.070927 -0.006175 0.010486 -0.039340 0.049762 -0.006192 34O 3s -0.515994 0.025434 0.000419 0.415891 -0.457709 -0.049757 34O 4s 0.872214 0.220362 -0.757929 -1.621161 1.474550 0.651085 34O 5s -0.860203 0.069028 -0.982024 -1.159753 -1.030983 0.400537 34O 1pz -0.007563 -0.026457 -0.042932 -0.156681 -0.050898 0.027181 34O 1px 0.141278 -0.017406 0.190338 0.146243 0.049806 -0.013581 34O 1py -0.062132 0.061549 -0.098993 0.040115 0.045784 0.061229 34O 2pz 0.096499 0.041664 0.145787 0.379716 0.058665 -0.135816 34O 2px -0.281681 0.120358 -0.824918 -0.914791 0.295797 0.471362 34O 2py 0.111417 -0.155557 0.272922 0.101526 -0.112479 -0.158555 34O 3pz 0.287704 -0.039457 0.126564 0.028676 0.017658 -0.161341 34O 3px 0.275312 -0.022940 -0.179497 -0.121489 -0.110027 -0.165265 34O 3py -0.086013 0.098692 -0.111288 -0.090357 -0.016866 0.376045 34O 1dz2 0.005692 -0.000666 0.001963 0.001631 0.004239 -0.002530 34O 1dxz -0.001803 0.002678 0.000033 -0.000575 0.001734 -0.000009 34O 1dyz 0.001562 0.005529 -0.005373 -0.007521 0.001824 -0.001672 34O 1dx2y2 0.000080 -0.000165 -0.009471 -0.010310 -0.002138 -0.003600 34O 1dxy -0.003938 -0.003042 0.005504 0.001720 -0.004563 0.000703 34O 2dz2 0.002839 0.026359 -0.011729 0.013144 0.020971 -0.037274 34O 2dxz 0.056620 -0.003144 0.093175 0.194567 0.072377 -0.026852 34O 2dyz -0.023826 0.034095 -0.124929 -0.128107 0.038352 0.020351 34O 2dx2y2 -0.005984 -0.019662 -0.066129 -0.059771 -0.025538 0.001469 34O 2dxy 0.070450 -0.004378 0.017061 0.010755 -0.045824 -0.090378 34O 1f0 -0.012646 -0.005708 -0.003883 0.012580 0.019073 0.015694 34O 1f+1 -0.001149 -0.002791 0.005492 0.005845 -0.012807 -0.010944 34O 1f-1 -0.004491 0.001249 -0.001777 -0.005833 -0.006876 -0.005921 34O 1f+2 0.011246 0.003396 0.013605 -0.006536 -0.020553 -0.022115 34O 1f-2 0.001316 0.007005 0.017151 0.011536 -0.006937 -0.008247 34O 1f+3 0.002838 0.005036 0.012957 0.018683 -0.022839 -0.032897 34O 1f-3 0.022254 0.009070 0.009399 -0.023127 -0.019482 -0.029510 35O 1s -0.019747 -0.002452 0.002450 0.021887 -0.018658 -0.003776 35O 2s -0.068182 -0.008459 0.009432 0.077356 -0.067499 -0.010949 35O 3s 0.418592 0.058766 -0.155652 -0.662881 0.610784 -0.010493 35O 4s -0.137257 0.072617 1.123032 1.767424 -1.938460 0.607061 35O 5s 2.692547 0.422352 0.824623 0.047274 1.100028 0.802514 35O 1pz 0.028956 -0.066506 -0.080019 0.043460 0.104366 -0.052188 35O 1px -0.304593 -0.054269 -0.186048 -0.075680 -0.020866 -0.078382 35O 1py -0.084197 0.012571 -0.081869 0.125260 -0.005370 -0.080648 35O 2pz -0.028249 0.201507 0.172611 0.020143 -0.200816 0.084055 35O 2px 1.096681 0.163024 0.845660 0.552970 -0.447225 0.589304 35O 2py 0.399228 0.004712 0.339908 -0.106247 -0.148081 0.328880 35O 3pz -0.521911 -0.082807 -0.146623 0.007303 0.078921 -0.510946 35O 3px -0.167028 0.228770 0.173712 0.080172 0.092877 -0.213640 35O 3py -0.222899 -0.037270 0.012195 0.157470 0.079014 -0.379488 35O 1dz2 -0.005900 -0.004122 -0.008355 -0.003368 -0.000507 -0.001849 35O 1dxz 0.007033 0.002250 0.008194 -0.000535 -0.004814 0.002653 35O 1dyz 0.003591 -0.001308 -0.004080 -0.009482 0.003085 0.001665 35O 1dx2y2 0.004531 -0.002281 0.004287 0.000119 0.002559 0.000632 35O 1dxy 0.004016 0.002943 0.007790 0.002923 -0.002931 0.000169 35O 2dz2 -0.062322 -0.014806 -0.079180 -0.013468 0.002601 -0.031165 35O 2dxz -0.031951 0.021703 0.030203 0.054304 -0.122913 0.031693 35O 2dyz -0.042341 -0.030637 -0.104303 -0.069047 0.020688 -0.009882 35O 2dx2y2 0.088635 0.086055 0.032554 0.152317 0.021187 -0.002878 35O 2dxy 0.052943 -0.085502 -0.010871 -0.116881 0.032417 0.049347 35O 1f0 0.001413 -0.012628 0.010708 -0.004731 -0.025574 0.017238 35O 1f+1 -0.011075 -0.006153 -0.003310 -0.016523 0.013193 -0.011869 35O 1f-1 0.002093 0.000470 0.005010 -0.008540 0.003614 0.002982 35O 1f+2 -0.013831 0.011489 -0.020791 0.001254 0.028817 -0.027157 35O 1f-2 0.005600 0.010704 0.004032 0.016930 0.014913 -0.014481 35O 1f+3 -0.002075 0.024991 -0.014974 0.020265 0.027155 -0.026374 35O 1f-3 -0.013263 0.002061 -0.011832 -0.013840 0.016150 -0.011232 516 517 518 519 520 521 3.26858 3.27199 3.27849 3.28204 3.28739 3.29353 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s -0.000221 0.000546 -0.000231 0.000391 0.000132 -0.000419 0Rh 2s 0.003112 -0.007051 0.002529 -0.002901 0.001289 0.000872 0Rh 3s 0.000561 -0.001019 0.000159 0.000566 0.001566 -0.001962 0Rh 4s -0.017052 0.038137 -0.013486 0.015546 -0.006786 -0.005075 0Rh 5s 0.046407 -0.095540 0.029414 -0.030594 0.023307 0.003993 0Rh 6s -0.092108 0.152096 -0.026318 0.014560 -0.056867 0.019180 0Rh 7s 0.753067 -1.000251 0.261768 -0.011173 0.390882 0.106999 0Rh 8s -0.062360 0.089986 -0.127236 -0.038526 -0.041016 0.060125 0Rh 1pz 0.002489 0.007725 0.000404 0.001882 0.001028 0.000391 0Rh 1px 0.002667 -0.000118 -0.000011 0.000969 0.003993 0.001144 0Rh 1py 0.003309 -0.006269 0.001403 -0.000942 -0.003329 -0.003557 0Rh 2pz -0.009714 -0.028946 -0.001158 -0.007499 -0.003811 -0.001648 0Rh 2px -0.009467 -0.000580 0.000213 -0.003811 -0.014607 -0.004208 0Rh 2py -0.012090 0.023791 -0.005231 0.003625 0.012387 0.013604 0Rh 3pz 0.024303 0.046681 -0.006307 0.022359 0.005062 0.006596 0Rh 3px 0.003421 0.023875 -0.003518 0.009985 0.015211 0.005240 0Rh 3py 0.012545 -0.044575 0.008033 -0.008035 -0.017948 -0.028107 0Rh 4pz -0.030096 0.032305 0.040473 -0.040613 0.008885 -0.015363 0Rh 4px 0.066639 -0.107090 0.008255 -0.011903 0.056677 0.009383 0Rh 4py 0.044937 -0.000135 0.006530 0.006281 -0.022616 0.013991 0Rh 5pz 0.056974 -0.129449 -0.092840 0.079006 -0.013289 0.020390 0Rh 5px -0.184293 0.258965 0.040224 0.003216 -0.158552 -0.007680 0Rh 5py -0.105255 0.050768 -0.015142 -0.007129 0.061234 -0.009865 0Rh 6pz 0.210528 0.772844 0.110637 0.120835 -0.009557 0.160122 0Rh 6px 0.887392 -0.819139 -1.798508 0.560742 0.498377 -0.454529 0Rh 6py -0.122512 -0.346729 -0.002866 -0.179747 -0.442838 -0.372412 0Rh 1dz2 -0.017760 -0.011761 -0.002477 -0.003150 0.001485 -0.019532 0Rh 1dxz -0.000496 -0.010654 -0.023132 0.003185 0.008718 -0.012385 0Rh 1dyz 0.015766 0.007483 -0.006458 0.009677 0.002698 0.005256 0Rh 1dx2y2 -0.012822 0.001311 0.024043 -0.012256 -0.003253 0.010843 0Rh 1dxy -0.000396 -0.003918 0.007084 -0.002043 -0.004071 0.001952 0Rh 2dz2 -0.002156 -0.002411 0.002393 0.001329 0.000005 -0.001832 0Rh 2dxz 0.000914 -0.001890 -0.002783 -0.000192 0.000544 0.000012 0Rh 2dyz 0.001368 0.000517 0.003099 0.006654 0.000608 0.000355 0Rh 2dx2y2 -0.002917 0.001271 0.002305 -0.000300 -0.000395 -0.001710 0Rh 2dxy -0.000856 -0.000502 0.001867 0.002133 0.000053 -0.000685 0Rh 3dz2 0.068144 0.049494 -0.002911 0.004157 -0.004956 0.072598 0Rh 3dxz -0.002398 0.043333 0.088480 -0.009577 -0.031007 0.040565 0Rh 3dyz -0.057363 -0.026688 0.006754 -0.062558 -0.011623 -0.018812 0Rh 3dx2y2 0.055220 -0.009815 -0.089344 0.041523 0.012505 -0.027692 0Rh 3dxy 0.005374 0.015302 -0.031881 -0.003180 0.012989 -0.003236 0Rh 4dz2 -0.066863 -0.057602 0.030187 0.016932 0.004839 -0.065992 0Rh 4dxz 0.010660 -0.044657 -0.084881 0.004005 0.023219 -0.021634 0Rh 4dyz 0.042147 0.018740 0.037245 0.124827 0.014154 0.013245 0Rh 4dx2y2 -0.065113 0.018774 0.081463 -0.026391 -0.013836 -0.004137 0Rh 4dxy -0.016316 -0.017607 0.043857 0.030504 -0.004885 -0.007072 0Rh 5dz2 0.041664 0.041372 -0.124374 -0.118493 -0.022917 0.008601 0Rh 5dxz -0.014934 -0.020506 -0.009495 0.016677 0.031755 -0.099128 0Rh 5dyz 0.094560 0.040485 -0.198638 -0.372729 -0.019067 0.038254 0Rh 5dx2y2 0.019381 -0.008799 0.031719 -0.082393 0.034406 0.124521 0Rh 5dxy 0.068297 0.044371 -0.066722 -0.154008 -0.045566 0.053939 0Rh 1f0 -0.004567 0.017221 -0.016325 -0.008519 0.008336 -0.005098 0Rh 1f+1 -0.000693 -0.017183 0.001185 -0.001663 0.007407 0.005377 0Rh 1f-1 -0.010505 -0.006011 -0.016508 -0.013758 0.005758 0.010929 0Rh 1f+2 0.010428 0.038495 0.026245 -0.002000 -0.001228 0.039569 0Rh 1f-2 -0.022103 0.013635 0.010787 0.020911 0.003912 0.013055 0Rh 1f+3 0.006075 -0.033827 0.013835 -0.021447 -0.006826 -0.005561 0Rh 1f-3 0.006832 0.008215 -0.008504 -0.014094 -0.002660 0.021641 1Rh 1s -0.000219 0.000534 0.000173 -0.000364 0.000131 0.000589 1Rh 2s 0.003121 -0.007020 -0.001821 0.002732 0.001363 -0.003095 1Rh 3s 0.000581 -0.001072 -0.000072 -0.000512 0.001603 0.001624 1Rh 4s -0.017095 0.037966 0.009716 -0.014667 -0.007179 0.016586 1Rh 5s 0.046584 -0.095405 -0.020874 0.029367 0.024293 -0.026237 1Rh 6s -0.092572 0.152854 0.017282 -0.016919 -0.058193 -0.018141 1Rh 7s 0.746929 -1.017185 -0.240300 0.055816 0.398018 0.184173 1Rh 8s -0.057543 0.106041 0.130599 0.026067 -0.049039 -0.161052 1Rh 1pz -0.002441 -0.007600 0.000969 0.001999 -0.001195 0.001390 1Rh 1px -0.002632 0.000180 -0.000007 0.000831 -0.003981 0.000849 1Rh 1py -0.003266 0.006281 0.001180 -0.000652 0.003200 0.000509 1Rh 2pz 0.009543 0.028489 -0.003302 -0.007913 0.004444 -0.004809 1Rh 2px 0.009341 0.000350 0.000156 -0.003324 0.014562 -0.003115 1Rh 2py 0.011931 -0.023823 -0.004356 0.002548 -0.011888 -0.001798 1Rh 3pz -0.024218 -0.046197 -0.002293 0.022441 -0.006319 -0.001389 1Rh 3px -0.003324 -0.023510 -0.002507 0.009874 -0.015197 0.003910 1Rh 3py -0.012358 0.044324 0.005748 -0.006538 0.016822 0.000125 1Rh 4pz 0.031220 -0.030644 0.040299 -0.037457 -0.008419 0.048367 1Rh 4px -0.066228 0.106994 0.004092 -0.015707 -0.056229 0.005065 1Rh 4py -0.044522 0.001545 0.009506 0.008469 0.023598 0.016435 1Rh 5pz -0.059673 0.125160 -0.096400 0.071542 0.013058 -0.107205 1Rh 5px 0.185320 -0.255714 0.048941 0.013962 0.156511 0.020652 1Rh 5py 0.104615 -0.053477 -0.018706 -0.012695 -0.062499 -0.041646 1Rh 6pz -0.204841 -0.757355 0.141800 0.138961 -0.000741 0.084394 1Rh 6px -0.948478 0.717088 -1.795645 0.507315 -0.466338 -0.945684 1Rh 6py 0.115086 0.338522 -0.039844 -0.142040 0.421875 0.113836 1Rh 1dz2 -0.016959 -0.011004 0.003803 0.002881 0.001765 0.007279 1Rh 1dxz 0.000410 -0.009075 0.024102 -0.003212 0.008078 0.009155 1Rh 1dyz 0.015539 0.007543 0.005628 -0.009397 0.002800 0.005382 1Rh 1dx2y2 -0.013609 0.000097 -0.023860 0.012068 -0.003360 -0.011476 1Rh 1dxy -0.000434 -0.003861 -0.006893 0.001982 -0.003540 -0.005873 1Rh 2dz2 -0.002163 -0.002463 -0.002230 -0.001294 0.000132 -0.000353 1Rh 2dxz 0.000998 -0.001687 0.002840 0.000241 0.000399 0.000748 1Rh 2dyz 0.001191 0.000292 -0.003202 -0.006463 0.000834 0.001393 1Rh 2dx2y2 -0.002941 0.001168 -0.002226 0.000204 -0.000350 0.000268 1Rh 2dxy -0.000865 -0.000557 -0.001766 -0.002087 0.000211 -0.000156 1Rh 3dz2 0.065562 0.047258 -0.002185 -0.003436 -0.006453 -0.022273 1Rh 3dxz -0.005743 0.037244 -0.091909 0.009434 -0.028245 -0.033481 1Rh 3dyz -0.055807 -0.025843 -0.003580 0.060761 -0.013002 -0.023996 1Rh 3dx2y2 0.057894 -0.005379 0.088372 -0.040465 0.012638 0.036437 1Rh 3dxy 0.005544 0.015372 0.030777 0.003156 0.010518 0.019943 1Rh 4dz2 -0.065448 -0.056932 -0.025175 -0.016874 0.007260 0.008766 1Rh 4dxz 0.013505 -0.038782 0.087343 -0.003268 0.019854 0.028324 1Rh 4dyz 0.039130 0.015419 -0.040016 -0.121336 0.017994 0.030977 1Rh 4dx2y2 -0.066908 0.014943 -0.079970 0.024648 -0.013186 -0.017303 1Rh 4dxy -0.016562 -0.018399 -0.041730 -0.029653 -0.001343 -0.011790 1Rh 5dz2 0.045188 0.047172 0.121438 0.116167 -0.028315 0.062780 1Rh 5dxz -0.011949 -0.019512 0.013294 -0.018948 0.034800 0.032547 1Rh 5dyz 0.099136 0.049465 0.195581 0.364452 -0.033229 -0.054210 1Rh 5dx2y2 0.015085 -0.011967 -0.031838 0.083644 0.030450 -0.109777 1Rh 5dxy 0.067606 0.046112 0.059612 0.147718 -0.052958 -0.061263 1Rh 1f0 0.003815 -0.017871 -0.015621 -0.008567 -0.007394 0.000663 1Rh 1f+1 0.000440 0.016719 -0.000353 -0.002274 -0.006769 0.001459 1Rh 1f-1 0.009686 0.004981 -0.017671 -0.014377 -0.004313 -0.002497 1Rh 1f+2 -0.008546 -0.036019 0.029201 -0.001765 0.000320 0.030748 1Rh 1f-2 0.022116 -0.012524 0.011386 0.019847 -0.004263 0.012052 1Rh 1f+3 -0.006055 0.033159 0.011788 -0.021283 0.007031 0.002715 1Rh 1f-3 -0.006767 -0.008282 -0.007323 -0.013733 0.003824 0.019383 2C 1s 0.012531 -0.002004 0.004565 -0.000982 0.003581 -0.001626 2C 2s 0.036711 -0.005474 0.013634 -0.002736 0.010910 -0.005050 2C 3s 0.351386 -0.196947 -0.124537 -0.046265 0.087784 0.068370 2C 4s -3.336366 1.255759 -0.226099 0.452356 -0.842212 -0.434132 2C 5s -1.258138 -0.919849 -0.096379 0.326789 -0.318663 0.363040 2C 1pz 0.057647 -0.029755 -0.068313 -0.004841 0.012138 0.021025 2C 1px 0.070739 -0.033792 -0.001886 -0.001144 0.039071 -0.018852 2C 1py 0.046858 -0.044753 -0.026760 -0.018623 0.013024 -0.011896 2C 2pz -1.585936 0.389793 -0.098555 0.417741 -0.354388 -0.368516 2C 2px -0.563323 0.345527 -0.128316 -0.078234 -0.296902 0.099705 2C 2py -0.892495 1.025931 -0.051438 0.033016 -0.235288 -0.267689 2C 3pz -0.583619 -0.153349 0.035432 0.042198 -0.101206 0.015209 2C 3px -0.126768 0.028173 -0.067614 0.112912 -0.089246 0.097253 2C 3py -0.351630 -0.089835 -0.074254 0.133222 -0.142686 0.072599 2C 1dz2 0.086340 -0.028580 -0.033588 -0.016449 0.039994 -0.047647 2C 1dxz -0.053474 -0.037730 -0.032416 0.010407 -0.004658 0.000120 2C 1dyz 0.175588 -0.047167 -0.036968 -0.020626 0.055906 -0.006315 2C 1dx2y2 -0.073417 -0.067045 -0.019979 -0.007467 0.022813 -0.043763 2C 1dxy -0.040242 -0.092754 -0.073034 0.061290 0.007764 0.030313 2C 2dz2 -0.439572 0.007532 0.044538 0.136448 -0.084092 -0.097940 2C 2dxz -0.273490 0.238077 -0.236552 0.031925 -0.125021 -0.033746 2C 2dyz -0.707511 0.531483 0.073487 0.084918 -0.231926 -0.080985 2C 2dx2y2 0.202218 0.002877 0.104303 -0.043944 -0.053717 0.189868 2C 2dxy -0.304186 0.044263 -0.012112 -0.032193 -0.113859 -0.025824 2C 1f0 0.016431 0.052194 0.023405 0.004195 -0.009504 0.004225 2C 1f+1 -0.010093 0.219398 0.029629 -0.171502 -0.018094 -0.203248 2C 1f-1 -0.243186 0.131194 -0.016831 0.072653 -0.068865 0.057932 2C 1f+2 0.061996 -0.027290 -0.009969 0.160393 0.040511 0.242098 2C 1f-2 -0.124745 -0.079327 -0.090996 0.184791 -0.019793 0.181513 2C 1f+3 -0.068347 0.005082 -0.010644 -0.035697 -0.044092 -0.095988 2C 1f-3 -0.239861 -0.175237 -0.114866 0.415937 -0.001762 0.374789 3C 1s -0.004264 -0.010293 0.002852 -0.001240 0.004456 -0.002649 3C 2s -0.012958 -0.029877 0.009072 -0.003265 0.013504 -0.007315 3C 3s 0.040084 -0.296522 -0.039524 -0.086794 0.018894 -0.164607 3C 4s 0.296192 2.770402 -0.338695 0.763977 -0.619693 0.886867 3C 5s 1.979847 0.154011 -0.830175 0.349042 -0.315732 0.767703 3C 1pz 0.013786 -0.008725 -0.019023 -0.000980 -0.009033 -0.025433 3C 1px 0.023399 -0.057834 0.049841 -0.019505 0.064760 -0.007371 3C 1py -0.003610 0.047788 0.032708 0.012610 0.018997 0.062104 3C 2pz -0.259679 0.707745 -0.017001 0.388101 -0.067573 0.157662 3C 2px -0.439392 0.853764 -0.366745 0.360286 -0.688845 -0.093482 3C 2py -0.198088 -1.212237 0.149594 -0.293825 0.097302 -0.418814 3C 3pz 0.313506 0.088730 -0.143743 0.161924 0.011512 0.104982 3C 3px 0.197675 0.202291 -0.266757 -0.061375 -0.234201 0.106535 3C 3py -0.510898 -0.269351 0.119524 -0.146615 0.066988 -0.312341 3C 1dz2 -0.126705 0.010254 0.090065 -0.039739 0.028275 0.003546 3C 1dxz -0.049175 -0.014167 -0.050994 -0.038637 -0.050605 -0.021190 3C 1dyz 0.060329 0.130765 -0.052262 0.035999 -0.054120 0.077294 3C 1dx2y2 0.051816 0.011037 0.008921 -0.010687 0.011099 0.055494 3C 1dxy -0.066737 0.081975 -0.004145 -0.006818 -0.023433 0.010145 3C 2dz2 -0.048213 -0.172712 -0.020038 0.061703 0.022347 -0.082907 3C 2dxz 0.086358 0.199044 -0.025030 0.174065 0.021765 0.001708 3C 2dyz 0.033498 -0.534491 0.001134 -0.096072 0.085845 -0.248670 3C 2dx2y2 -0.074883 -0.232559 -0.039496 -0.085613 -0.128816 -0.132193 3C 2dxy 0.242410 -0.550737 0.285826 -0.199673 0.391814 0.063293 3C 1f0 -0.043023 -0.063737 0.102764 0.099130 0.124143 -0.069097 3C 1f+1 0.211036 -0.172531 -0.340413 -0.308116 -0.387866 0.172032 3C 1f-1 -0.052594 -0.096238 -0.049289 -0.058295 -0.058528 -0.008455 3C 1f+2 -0.021712 -0.067162 0.054620 0.059582 0.128806 -0.063630 3C 1f-2 0.003162 -0.202739 -0.150192 -0.208970 -0.248425 0.059899 3C 1f+3 -0.059867 0.116868 -0.142878 -0.002085 -0.214353 0.028230 3C 1f-3 0.077314 -0.151660 -0.114598 -0.132867 -0.147748 0.020673 4C 1s 0.002060 0.003534 -0.002744 -0.000745 0.000165 -0.000005 4C 2s 0.006328 0.009654 -0.008180 -0.002255 0.000084 0.000424 4C 3s -0.287956 0.129253 0.235566 0.021889 -0.097547 0.009452 4C 4s 1.740954 -0.810911 -0.525177 -0.275894 0.434567 0.230688 4C 5s 0.260575 0.085756 0.474777 -0.341587 0.132665 -0.218496 4C 1pz 0.095456 -0.058591 0.059822 -0.049703 0.003445 -0.010750 4C 1px -0.078181 -0.025310 -0.052048 0.079108 -0.022388 0.068216 4C 1py 0.033624 0.007991 0.015694 0.021847 0.005900 0.053893 4C 2pz -1.936350 0.817890 -0.210208 0.617642 -0.383172 -0.172085 4C 2px -0.266715 0.500595 -0.040367 -0.599146 -0.198952 -0.364915 4C 2py -1.177176 0.613283 -0.092652 -0.066175 -0.361247 -0.472150 4C 3pz -1.391145 -0.868482 -0.135023 0.236468 -0.297417 0.177205 4C 3px 0.041960 -0.219024 0.452762 -0.349050 0.022448 -0.248117 4C 3py -0.899548 -0.631477 0.150081 0.031188 -0.158876 0.061966 4C 1dz2 -0.149216 0.241390 -0.042726 -0.032757 -0.020667 -0.017369 4C 1dxz -0.012921 -0.041158 0.102394 0.029125 0.014050 -0.043145 4C 1dyz -0.146530 -0.025834 -0.054186 0.060890 -0.077456 -0.010082 4C 1dx2y2 0.158514 0.016277 0.074711 -0.013050 0.014956 0.056119 4C 1dxy 0.161893 0.097561 0.155055 -0.083834 0.083922 -0.046635 4C 2dz2 0.898769 -0.615685 0.571503 0.119417 0.291206 0.288660 4C 2dxz 0.153118 0.083192 -0.137246 -0.336551 -0.172929 0.237619 4C 2dyz 0.878263 -0.382229 0.298169 -0.161258 0.266860 0.148903 4C 2dx2y2 -0.812680 -0.209762 -0.636473 0.324459 -0.132385 -0.131086 4C 2dxy -0.259659 0.322864 -0.436989 -0.306537 -0.177231 -0.125062 4C 1f0 0.099295 0.252568 0.081861 -0.119157 0.013914 -0.017977 4C 1f+1 0.122380 0.037941 0.060085 -0.062455 -0.016817 -0.005348 4C 1f-1 -0.280726 0.012149 -0.020616 0.138997 -0.090923 0.099054 4C 1f+2 -0.018764 -0.081673 -0.084531 0.193085 0.031766 0.115337 4C 1f-2 -0.072451 0.021493 0.001896 -0.005779 0.016116 0.012296 4C 1f+3 -0.030838 0.135072 0.057984 -0.113603 0.012909 -0.157180 4C 1f-3 -0.052397 -0.124971 0.002639 0.187586 0.021204 0.194013 5C 1s -0.005568 0.001028 0.000647 -0.002221 -0.001239 -0.003178 5C 2s -0.015550 0.002588 0.000971 -0.006089 -0.003714 -0.009336 5C 3s 0.012945 0.217636 0.126642 -0.004676 -0.027157 0.225260 5C 4s 0.057760 -1.413568 -0.335401 -0.133512 0.215693 -0.796541 5C 5s -0.289203 -0.216036 0.188525 -0.014496 0.470150 -0.177927 5C 1pz -0.022582 -0.032186 0.042870 0.003423 0.026215 -0.011290 5C 1px 0.017447 -0.061132 -0.148502 -0.084002 -0.170506 0.026486 5C 1py -0.030439 0.058537 -0.037059 0.008363 -0.055291 0.002110 5C 2pz 0.111799 0.788551 -0.216095 0.143498 -0.116991 0.363300 5C 2px -0.444917 1.205516 0.345819 1.019157 0.314282 -0.365991 5C 2py -0.008572 -1.454661 0.436877 -0.382683 0.493007 -0.497862 5C 3pz 1.175099 0.250719 -0.488627 0.074862 -0.305554 0.521111 5C 3px 0.697610 -0.078427 0.418784 0.374049 0.800657 0.185424 5C 3py -1.938125 -0.322598 0.808909 -0.411470 0.136408 -0.615825 5C 1dz2 0.176038 0.015820 -0.127131 -0.014355 -0.011763 -0.015162 5C 1dxz 0.023714 0.055782 0.062532 0.054736 0.116170 0.033478 5C 1dyz 0.032475 -0.118623 0.067912 -0.015529 0.095071 0.020159 5C 1dx2y2 0.018344 -0.189850 0.147925 -0.097478 0.179209 0.016237 5C 1dxy -0.097230 0.000740 -0.108061 0.050711 -0.184321 -0.077978 5C 2dz2 -0.106973 -0.189185 0.368450 -0.243825 0.237255 0.249371 5C 2dxz -0.608057 -0.011258 0.124661 0.142175 -0.265692 -0.266892 5C 2dyz -0.194406 0.829598 -0.262946 0.277420 -0.442411 -0.119666 5C 2dx2y2 -0.043842 1.137571 -0.630240 0.820575 -0.562989 -0.356648 5C 2dxy 0.297856 0.052451 0.159415 -0.247302 0.271230 0.403498 5C 1f0 0.008894 -0.139958 0.086810 -0.072056 0.110136 -0.049372 5C 1f+1 0.034659 -0.127391 -0.092746 -0.184692 -0.198692 0.066892 5C 1f-1 -0.135251 -0.020700 0.030850 0.047544 -0.038189 -0.052314 5C 1f+2 -0.098240 -0.120533 0.087444 0.065614 0.123515 -0.091537 5C 1f-2 0.098564 -0.177483 -0.206221 -0.146056 -0.155468 0.034907 5C 1f+3 0.072176 -0.080848 -0.037799 -0.130972 -0.004205 0.070215 5C 1f-3 0.201870 -0.048273 -0.087531 -0.009785 0.015947 0.033378 6C 1s -0.005547 0.001155 -0.000555 0.002033 -0.001239 0.000612 6C 2s -0.015479 0.003024 -0.000759 0.005585 -0.003767 0.002757 6C 3s 0.007415 0.202004 -0.130453 0.002209 -0.022557 -0.231406 6C 4s 0.077979 -1.352607 0.364760 0.170463 0.208550 0.952060 6C 5s -0.279936 -0.218415 -0.141110 0.032524 0.494622 -0.030548 6C 1pz 0.023883 0.034564 0.039562 0.001057 -0.028071 0.008686 6C 1px -0.021294 0.050854 -0.144049 -0.077537 0.175313 0.023586 6C 1py 0.030578 -0.058963 -0.035233 0.012703 0.057508 0.037609 6C 2pz -0.102586 -0.776397 -0.189336 0.167872 0.137076 0.263691 6C 2px 0.444550 -1.174695 0.381811 1.022872 -0.345800 -0.186324 6C 2py -0.005923 1.436130 0.384762 -0.428992 -0.532496 -0.545249 6C 3pz -1.169782 -0.270875 -0.424036 0.069862 0.340490 -0.256406 6C 3px -0.678667 0.114511 0.408665 0.328203 -0.804671 -0.198280 6C 3py 1.931651 0.353383 0.706861 -0.386513 -0.186055 0.557340 6C 1dz2 0.185159 0.025276 0.117516 0.014677 -0.019808 0.141460 6C 1dxz 0.018678 0.049717 -0.061093 -0.050010 0.117085 0.025305 6C 1dyz 0.028252 -0.122709 -0.059108 0.021371 0.096381 -0.030073 6C 1dx2y2 0.016872 -0.196974 -0.133296 0.108292 0.181839 0.011685 6C 1dxy -0.092572 0.010795 0.099112 -0.057091 -0.179586 0.049400 6C 2dz2 -0.127331 -0.215330 -0.336055 0.252671 0.242058 -0.357722 6C 2dxz -0.603531 -0.006390 -0.130324 -0.151911 -0.225251 -0.096171 6C 2dyz -0.179737 0.842693 0.214258 -0.308452 -0.447513 0.084419 6C 2dx2y2 -0.031664 1.165473 0.548887 -0.864698 -0.571421 0.322289 6C 2dxy 0.266856 0.021987 -0.136450 0.250327 0.250798 -0.288793 6C 1f0 -0.013069 0.141403 0.077920 -0.080758 -0.109473 -0.049465 6C 1f+1 -0.037496 0.119332 -0.093575 -0.181915 0.205107 0.045620 6C 1f-1 0.138060 0.023107 0.024765 0.048409 0.035251 0.059585 6C 1f+2 0.100917 0.124392 0.075238 0.063853 -0.135505 -0.018007 6C 1f-2 -0.105030 0.165882 -0.206891 -0.140949 0.167236 0.028896 6C 1f+3 -0.074930 0.078359 -0.042149 -0.130667 0.014232 0.051583 6C 1f-3 -0.206119 0.045019 -0.086441 -0.013849 -0.003518 -0.058822 7C 1s 0.002193 0.003778 0.002535 0.000729 -0.000042 0.000720 7C 2s 0.006726 0.010415 0.007512 0.002245 -0.000539 0.001643 7C 3s -0.299924 0.113648 -0.225498 -0.038718 -0.085865 -0.135053 7C 4s 1.772371 -0.779419 0.474922 0.356431 0.387326 0.543221 7C 5s 0.257237 0.038552 -0.464887 0.305264 0.144564 -0.175946 7C 1pz -0.092806 0.063350 0.061288 -0.047954 -0.001702 0.085290 7C 1px 0.076265 0.020441 -0.054218 0.070535 0.022046 -0.049288 7C 1py -0.033902 -0.008991 0.016583 0.018415 -0.007552 -0.094024 7C 2pz 1.933842 -0.835203 -0.248838 0.656257 0.342896 -0.097179 7C 2px 0.278413 -0.483549 0.003295 -0.554760 0.205942 0.252241 7C 2py 1.193472 -0.610878 -0.092139 -0.014434 0.354606 0.617181 7C 3pz 1.395621 0.842062 -0.162606 0.186617 0.293784 0.228467 7C 3px -0.016401 0.250156 0.449349 -0.309009 -0.023588 0.705352 7C 3py 0.916982 0.633556 0.118503 0.017051 0.152022 0.321114 7C 1dz2 -0.141938 0.254632 0.034225 0.036738 -0.012935 0.295418 7C 1dxz -0.016864 -0.046631 -0.094462 -0.039209 0.018493 -0.096351 7C 1dyz -0.149480 -0.028321 0.057788 -0.067143 -0.081518 -0.187595 7C 1dx2y2 0.156874 0.012146 -0.075558 0.012757 0.017413 0.114506 7C 1dxy 0.161094 0.094772 -0.158303 0.077378 0.089332 0.036941 7C 2dz2 0.874986 -0.655802 -0.536064 -0.121254 0.292212 -0.284891 7C 2dxz 0.137871 0.066394 0.100519 0.344662 -0.197299 -0.117916 7C 2dyz 0.874407 -0.403427 -0.302136 0.178978 0.265488 0.080105 7C 2dx2y2 -0.803828 -0.185575 0.655505 -0.317385 -0.145869 -0.211756 7C 2dxy -0.244663 0.350130 0.394149 0.323308 -0.185611 0.413345 7C 1f0 -0.105220 -0.258801 0.096187 -0.119712 -0.020877 -0.267350 7C 1f+1 -0.118232 -0.031444 0.065484 -0.056566 0.021487 0.157669 7C 1f-1 0.283664 -0.014500 -0.025984 0.137717 0.089099 0.088476 7C 1f+2 0.015300 0.078137 -0.093026 0.182429 -0.035805 -0.187268 7C 1f-2 0.072109 -0.022300 -0.001536 -0.000629 -0.019519 -0.092551 7C 1f+3 0.025895 -0.144831 0.065300 -0.115390 -0.017986 -0.052972 7C 1f-3 0.053395 0.124914 -0.011883 0.177605 -0.023982 -0.137970 8C 1s -0.004198 -0.010481 -0.002037 0.001526 0.004840 -0.001708 8C 2s -0.012780 -0.030516 -0.006630 0.004097 0.014661 -0.006207 8C 3s 0.045324 -0.283169 0.043933 0.092481 0.018824 0.204876 8C 4s 0.268252 2.731477 0.219839 -0.832871 -0.665891 -0.639625 8C 5s 1.970484 0.181192 0.729089 -0.326482 -0.376514 0.452928 8C 1pz -0.015342 0.005665 -0.016584 -0.000583 0.009159 -0.045935 8C 1px -0.020958 0.060219 0.044198 -0.022664 -0.065227 -0.022165 8C 1py 0.005510 -0.042639 0.030902 0.012696 -0.019806 0.067138 8C 2pz 0.283701 -0.679525 -0.010381 0.411302 0.072330 0.419864 8C 2px 0.429169 -0.868046 -0.307049 0.398485 0.677673 0.111265 8C 2py 0.192865 1.186702 0.114486 -0.320531 -0.123302 -0.308341 8C 3pz -0.312166 -0.089367 -0.127173 0.156996 -0.000443 -0.043905 8C 3px -0.199840 -0.215435 -0.235517 -0.053653 0.247638 -0.025636 8C 3py 0.501683 0.266827 0.087737 -0.143343 -0.082475 0.054861 8C 1dz2 -0.127707 0.006584 -0.080810 0.038113 0.031626 -0.064765 8C 1dxz -0.043770 -0.010360 0.049910 0.036366 -0.051794 -0.003224 8C 1dyz 0.058730 0.131732 0.042715 -0.039063 -0.058398 -0.029160 8C 1dx2y2 0.052952 0.009136 -0.008715 0.010112 0.007637 -0.030041 8C 1dxy -0.067269 0.080449 0.000399 0.007117 -0.020973 -0.027949 8C 2dz2 -0.052524 -0.175256 0.025216 -0.059306 0.027392 -0.022123 8C 2dxz 0.085016 0.196694 0.020652 -0.176919 0.017358 0.019096 8C 2dyz 0.045212 -0.520287 0.013158 0.108666 0.093255 0.268894 8C 2dx2y2 -0.070034 -0.216193 0.036127 0.087403 -0.120225 0.097445 8C 2dxy 0.235514 -0.560337 -0.248690 0.224298 0.390440 0.056855 8C 1f0 0.044742 0.071859 0.092259 0.089469 -0.127951 -0.024759 8C 1f+1 -0.221351 0.153540 -0.332865 -0.300743 0.415275 0.076692 8C 1f-1 0.047977 0.094503 -0.058121 -0.059749 0.066115 0.042386 8C 1f+2 0.023175 0.067447 0.052600 0.059128 -0.141191 -0.038449 8C 1f-2 -0.005987 0.190784 -0.149655 -0.200871 0.252428 0.080503 8C 1f+3 0.060097 -0.123968 -0.132755 0.011382 0.216391 0.079276 8C 1f-3 -0.083650 0.142185 -0.115703 -0.134096 0.158846 -0.015123 9C 1s 0.012444 -0.002513 -0.004509 0.000767 0.003736 0.002831 9C 2s 0.036443 -0.007041 -0.013406 0.002070 0.011409 0.008669 9C 3s 0.359265 -0.186222 0.115623 0.065397 0.076050 0.093464 9C 4s -3.348532 1.278192 0.265461 -0.528858 -0.801813 -0.622760 9C 5s -1.282794 -0.895658 0.122306 -0.266423 -0.314444 -0.151067 9C 1pz -0.060679 0.024231 -0.063528 -0.010832 -0.008299 -0.039743 9C 1px -0.072745 0.032644 -0.004563 -0.000726 -0.038404 -0.023031 9C 1py -0.049959 0.042503 -0.026511 -0.021173 -0.010611 0.013721 9C 2pz 1.599329 -0.377268 -0.147436 0.477257 0.332824 0.585805 9C 2px 0.567021 -0.338401 -0.108254 -0.075724 0.301446 0.046848 9C 2py 0.888548 -1.050719 -0.029853 0.060642 0.205633 -0.478423 9C 3pz 0.590893 0.147258 0.021887 0.037190 0.095216 0.170668 9C 3px 0.122057 -0.036365 -0.061921 0.100660 0.086570 -0.095652 9C 3py 0.358280 0.084616 -0.073287 0.126534 0.142834 0.082316 9C 1dz2 0.091868 -0.024372 0.029084 0.020358 0.039884 0.098701 9C 1dxz -0.052553 -0.032203 0.032348 -0.005662 -0.004241 0.003650 9C 1dyz 0.177959 -0.047276 0.037949 0.022947 0.052356 0.051269 9C 1dx2y2 -0.070409 -0.059484 0.023508 0.010427 0.023586 -0.004996 9C 1dxy -0.040730 -0.091045 0.076711 -0.055322 0.007068 -0.012299 9C 2dz2 -0.447171 -0.006480 -0.019655 -0.159727 -0.080007 -0.398588 9C 2dxz -0.265498 0.244792 0.224527 -0.031590 -0.125985 0.112506 9C 2dyz -0.713833 0.535297 -0.077812 -0.109630 -0.214314 -0.008786 9C 2dx2y2 0.201543 -0.008173 -0.116368 0.049166 -0.057283 -0.073750 9C 2dxy -0.309381 0.044445 0.014610 0.026625 -0.118639 -0.156243 9C 1f0 -0.014356 -0.047344 0.023440 0.008529 0.009128 0.034459 9C 1f+1 0.005910 -0.224180 0.044392 -0.165381 0.016082 0.025855 9C 1f-1 0.240439 -0.139193 -0.017434 0.071573 0.064658 -0.064182 9C 1f+2 -0.066551 0.024742 -0.014611 0.142829 -0.046300 -0.319149 9C 1f-2 0.128347 0.081121 -0.103529 0.185014 0.018483 -0.112471 9C 1f+3 0.065230 -0.007527 -0.005839 -0.041428 0.049373 0.240097 9C 1f-3 0.237821 0.171707 -0.137897 0.394259 -0.006006 -0.314902 10H 1s 0.002875 0.005155 -0.035122 -0.008552 0.017341 -0.030516 10H 2s 0.243809 -0.165570 -0.086489 0.089572 0.145538 -0.184719 10H 3s -0.101824 0.058994 0.019885 -0.056432 0.013544 -0.052766 10H 1pz 0.112795 0.008350 0.036514 -0.089467 0.051396 -0.182645 10H 1px -0.097255 0.062473 0.051067 -0.063995 -0.031325 -0.015555 10H 1py -0.042750 -0.120620 -0.071075 0.224461 0.019240 0.174247 11H 1s -0.088631 0.023195 0.052079 -0.005830 -0.012736 -0.010081 11H 2s 0.171132 -0.280716 0.048346 0.015897 0.019638 0.006960 11H 3s -0.055684 0.123825 0.024743 -0.050711 0.021666 -0.058758 11H 1pz -0.025013 -0.195607 -0.059288 0.113178 0.004379 0.102299 11H 1px 0.145062 -0.030441 0.044401 -0.103920 0.004655 -0.119018 11H 1py -0.144746 0.003028 -0.005600 -0.050178 -0.066615 -0.056756 12H 1s -0.045151 0.016294 -0.009071 0.047444 -0.042756 0.050621 12H 2s 0.430781 0.391130 0.097521 -0.178217 0.075687 -0.061595 12H 3s -0.084850 -0.038451 -0.051910 0.086049 -0.079916 0.022174 12H 1pz -0.076868 0.147495 -0.001022 -0.022328 -0.047109 0.032841 12H 1px 0.003598 0.013673 0.018425 0.135862 0.016994 0.177099 12H 1py 0.249956 0.177048 0.037670 -0.174612 0.046371 -0.136155 13H 1s -0.019376 0.002038 0.012088 0.016934 -0.001495 -0.021496 13H 2s 0.048350 -0.307174 0.060262 0.047362 0.325426 -0.112229 13H 3s -0.068266 0.088384 0.056803 0.074107 -0.000947 0.002543 13H 1pz 0.064415 -0.185432 -0.144007 -0.124833 -0.079469 0.011538 13H 1px 0.051796 0.039727 -0.048533 -0.072567 -0.096930 0.081516 13H 1py 0.028358 0.004486 -0.143548 -0.113461 -0.229229 0.035814 14H 1s 0.008707 0.017542 -0.039780 -0.018414 -0.018757 0.009968 14H 2s -0.491681 -0.081461 -0.013117 0.101536 -0.128183 -0.233169 14H 3s 0.073402 0.080191 -0.027471 -0.047554 0.037708 0.009070 14H 1pz -0.174069 0.039700 0.134752 0.175904 0.151389 -0.156214 14H 1px -0.135805 -0.112293 -0.058203 -0.048675 -0.123556 -0.039827 14H 1py 0.071059 -0.092754 0.089411 -0.004155 0.158410 -0.004695 15H 1s 0.012617 0.060029 0.005126 0.012489 -0.022884 0.068534 15H 2s 0.077765 -0.212883 0.029597 -0.169768 0.106170 -0.093195 15H 3s -0.090962 0.138822 0.078382 0.021876 -0.006845 0.043575 15H 1pz 0.097530 0.133129 -0.051793 0.009112 -0.067539 0.069322 15H 1px -0.004009 0.069119 0.111689 0.087417 0.187534 -0.049065 15H 1py -0.102360 0.113542 0.059445 0.124707 0.034827 0.008984 16H 1s 0.000033 -0.013364 -0.031007 0.020107 -0.003850 -0.021352 16H 2s 0.193715 -0.260950 -0.238177 0.144058 0.171321 -0.112833 16H 3s -0.026314 0.077761 0.078674 0.003486 -0.032139 0.036549 16H 1pz 0.075344 -0.112132 -0.102218 0.065581 0.059968 -0.054029 16H 1px 0.001785 -0.005934 -0.021840 -0.004997 0.002114 -0.016445 16H 1py 0.008657 -0.016469 -0.013555 0.022270 0.011552 -0.014688 17H 1s 0.007403 -0.017065 -0.016618 -0.013537 -0.004853 -0.011233 17H 2s 0.216288 -0.232737 -0.367153 0.076889 0.158948 -0.054971 17H 3s -0.062813 0.022971 0.144828 -0.046317 0.010914 0.012945 17H 1pz -0.070353 0.070814 0.123266 -0.030533 -0.040945 0.032961 17H 1px -0.049141 0.069346 0.084273 -0.001085 -0.042073 0.007267 17H 1py 0.029095 -0.028991 -0.058930 -0.004097 0.010335 -0.003231 18H 1s 0.008845 -0.015373 0.018720 0.012573 -0.004568 0.010536 18H 2s 0.224599 -0.217265 0.360966 -0.059246 0.149606 0.224026 18H 3s -0.067421 0.015111 -0.142195 0.045066 0.013258 -0.064061 18H 1pz 0.075336 -0.065944 0.124145 -0.026470 0.039807 0.082137 18H 1px 0.050633 -0.065610 0.083644 0.003204 0.039572 0.042937 18H 1py -0.028854 0.024179 -0.055033 -0.006207 -0.007592 -0.029700 19H 1s 0.001906 -0.010572 0.032503 -0.020171 -0.002702 0.024700 19H 2s 0.200066 -0.254599 0.236569 -0.125499 0.165935 0.194325 19H 3s -0.029862 0.070239 -0.081969 -0.003154 -0.028109 0.000106 19H 1pz -0.078148 0.108036 -0.102186 0.058112 -0.058643 -0.087247 19H 1px -0.002630 0.002918 -0.021775 -0.004250 -0.001506 -0.006477 19H 1py -0.011233 0.018981 -0.016601 0.022203 -0.013202 -0.015591 20H 1s 0.010521 0.057795 -0.007392 -0.013524 -0.023481 -0.047768 20H 2s 0.088826 -0.206293 -0.019410 0.178231 0.109428 0.129296 20H 3s -0.097600 0.133303 -0.080852 -0.024278 -0.003759 -0.040751 20H 1pz -0.096233 -0.136637 -0.038981 0.013017 0.072615 -0.024900 20H 1px 0.005476 -0.062614 0.111505 0.081417 -0.194537 -0.067073 20H 1py 0.109504 -0.105842 0.060404 0.127868 -0.040883 0.084795 21H 1s 0.010977 0.019191 0.037218 0.016703 -0.022346 -0.016593 21H 2s -0.494098 -0.082406 0.019958 -0.107329 -0.103824 -0.062488 21H 3s 0.076114 0.081071 0.022385 0.046108 0.031109 -0.011797 21H 1pz 0.179159 -0.031491 0.129183 0.172802 -0.167234 -0.056815 21H 1px 0.134662 0.109236 -0.063749 -0.045846 0.121334 0.061603 21H 1py -0.070589 0.097843 0.079179 -0.012648 -0.158192 -0.048450 22H 1s -0.019994 0.001181 -0.009863 -0.016879 -0.000211 0.017653 22H 2s 0.049004 -0.314152 -0.027978 -0.037125 0.322474 0.025572 22H 3s -0.069900 0.083771 -0.057700 -0.074571 0.004121 -0.014820 22H 1pz -0.070917 0.177828 -0.150571 -0.124738 0.091924 0.019136 22H 1px -0.050913 -0.042836 -0.041922 -0.069078 0.102060 0.037648 22H 1py -0.033996 -0.015644 -0.131268 -0.107137 0.235633 0.002882 23H 1s -0.049067 0.014216 0.006779 -0.048156 -0.043367 -0.062890 23H 2s 0.443941 0.395283 -0.129046 0.177943 0.084852 0.487044 23H 3s -0.086774 -0.041413 0.052391 -0.091116 -0.082958 -0.168751 23H 1pz 0.075803 -0.152923 0.007859 -0.024779 0.044786 -0.096181 23H 1px -0.002551 -0.012507 0.013482 0.129261 -0.024156 -0.260382 23H 1py -0.256572 -0.181337 0.055342 -0.169764 -0.047431 -0.152763 24H 1s -0.090263 0.022644 -0.048914 0.004758 -0.008344 -0.001078 24H 2s 0.162850 -0.300385 -0.036055 -0.024809 0.009355 -0.292172 24H 3s -0.050244 0.130349 -0.027343 0.048743 0.026355 0.047079 24H 1pz 0.026749 0.199484 -0.072052 0.110367 0.000107 0.048652 24H 1px -0.141840 0.039254 0.049471 -0.094230 0.000438 0.214570 24H 1py 0.145424 -0.004484 -0.001482 -0.048397 0.070433 0.212533 25H 1s 0.005648 0.007660 0.037176 0.008414 0.016069 0.049492 25H 2s 0.246549 -0.165933 0.097893 -0.095319 0.147540 0.021332 25H 3s -0.100965 0.058129 -0.017099 0.050725 0.013819 -0.032205 25H 1pz -0.113180 -0.007286 0.037560 -0.081260 -0.052043 0.086486 25H 1px 0.097158 -0.064119 0.053104 -0.063235 0.031603 0.072371 25H 1py 0.043603 0.121221 -0.082749 0.216522 -0.021608 -0.120780 26O 1s 0.019472 -0.010364 0.025645 -0.017419 0.005709 -0.000052 26O 2s 0.066186 -0.036695 0.090721 -0.058737 0.019700 0.001354 26O 3s -0.509208 0.299046 -0.748210 0.396748 -0.155627 -0.064297 26O 4s 1.295594 -0.775037 1.916108 -0.590117 0.414620 0.373681 26O 5s 0.037763 0.586827 -1.204892 1.281763 -0.004543 0.217736 26O 1pz -0.036706 -0.002452 0.049939 0.034557 -0.030167 0.034748 26O 1px 0.135335 -0.038660 -0.057841 0.050268 0.036206 -0.029435 26O 1py 0.087187 0.184264 0.078919 -0.153772 0.023857 -0.141788 26O 2pz 0.069589 0.043876 -0.109983 -0.110559 0.071531 -0.155325 26O 2px -0.408232 0.203561 -0.179553 -0.295122 -0.127916 -0.174751 26O 2py -0.278651 -0.409258 -0.320292 0.325349 -0.072696 0.246015 26O 3pz -0.015294 0.266333 0.091316 0.132818 -0.071706 -0.143326 26O 3px -0.112130 0.308037 0.413981 -0.241764 -0.172817 -0.083018 26O 3py 0.015784 0.353024 0.191168 -0.055239 -0.009209 -0.155033 26O 1dz2 -0.013703 0.005283 -0.005379 0.005114 -0.006938 0.005601 26O 1dxz 0.005628 0.004911 0.011997 -0.007373 0.000126 -0.000395 26O 1dyz -0.007936 0.001770 -0.001286 0.000469 -0.000558 0.001274 26O 1dx2y2 0.009936 0.000534 -0.000136 -0.006376 0.003769 -0.010954 26O 1dxy 0.007417 -0.001868 0.001893 0.003961 0.000479 0.004120 26O 2dz2 -0.075953 -0.001935 0.001855 0.033881 -0.023527 0.024918 26O 2dxz -0.103429 -0.109959 0.074121 0.105390 -0.023727 0.128715 26O 2dyz -0.113071 0.010276 -0.012534 0.077395 -0.034174 0.046229 26O 2dx2y2 -0.062254 -0.191793 -0.149510 0.211619 0.003321 0.140750 26O 2dxy 0.008230 0.169709 0.057572 -0.118041 0.006460 -0.112810 26O 1f0 0.012778 0.005148 -0.006631 -0.000393 0.003472 0.008332 26O 1f+1 -0.014880 -0.015290 0.001280 0.017215 -0.000001 0.010544 26O 1f-1 -0.009061 -0.016339 -0.008736 0.018906 -0.001058 0.011002 26O 1f+2 -0.010522 -0.006437 0.015358 0.002364 0.000200 -0.003470 26O 1f-2 -0.008220 0.008889 -0.005339 0.005711 -0.002783 -0.002177 26O 1f+3 -0.000820 0.015301 0.020004 -0.014463 0.005507 -0.015879 26O 1f-3 0.007680 0.003784 0.014828 0.009814 -0.003603 0.016681 27O 1s -0.006152 -0.025081 0.029073 -0.005409 0.025742 -0.003000 27O 2s -0.020341 -0.088508 0.098992 -0.021364 0.087600 -0.008360 27O 3s 0.139121 0.743111 -0.736106 0.265008 -0.630054 0.000635 27O 4s -0.171875 -1.967425 1.599510 -1.041829 1.302771 0.377768 27O 5s -0.159164 0.625189 -1.180359 -0.653106 -1.243520 0.247723 27O 1pz -0.130307 0.132407 0.054755 0.158959 0.038965 -0.014041 27O 1px -0.035719 0.053596 0.126342 0.050708 0.149622 -0.024297 27O 1py -0.008733 -0.033625 -0.025030 -0.040035 -0.058919 -0.068159 27O 2pz 0.350872 -0.307453 -0.128467 -0.397625 -0.058741 0.082151 27O 2px 0.047963 0.278057 -0.354259 0.378539 -0.259127 -0.220444 27O 2py 0.042525 -0.053301 0.045818 -0.062791 0.061814 0.192188 27O 3pz -0.090401 0.142326 -0.030875 0.059718 0.141494 0.012988 27O 3px -0.152451 0.481539 0.374991 0.210911 0.365951 0.067637 27O 3py 0.118440 -0.365396 -0.077008 -0.021736 -0.189579 -0.086940 27O 1dz2 -0.002386 -0.001151 -0.006828 0.001083 -0.006517 0.000170 27O 1dxz 0.002202 -0.002721 -0.001675 -0.007586 -0.006531 0.004940 27O 1dyz -0.003235 -0.005470 0.008302 0.000696 0.011297 -0.000523 27O 1dx2y2 -0.001638 -0.002807 0.012375 0.002077 0.018178 -0.001683 27O 1dxy 0.004614 -0.002605 -0.009350 -0.001056 -0.003808 -0.003797 27O 2dz2 -0.023099 -0.028082 0.037716 0.032061 0.071554 -0.013839 27O 2dxz -0.185251 0.117902 0.118476 0.157352 0.056211 -0.024084 27O 2dyz 0.048421 -0.076035 0.075421 -0.022293 0.090945 0.025464 27O 2dx2y2 -0.037225 0.007078 0.029733 0.003676 0.001612 -0.027628 27O 2dxy -0.099782 0.047420 0.059922 0.106073 0.039319 -0.101566 27O 1f0 0.001914 -0.003894 -0.005203 -0.006768 -0.010676 -0.005057 27O 1f+1 -0.013323 -0.010948 0.003869 -0.015033 -0.003618 0.005989 27O 1f-1 -0.005554 0.002578 0.000599 0.002410 -0.003724 -0.000644 27O 1f+2 -0.005730 0.013764 0.024159 0.012891 0.023768 0.006985 27O 1f-2 0.008448 0.003386 0.019616 -0.003947 0.017140 0.010937 27O 1f+3 0.020203 -0.012536 -0.013414 -0.024218 -0.010177 0.018968 27O 1f-3 0.006501 0.015139 0.015338 0.017084 0.029799 0.003934 28O 1s 0.000263 0.002319 -0.006767 0.002923 -0.006291 0.015023 28O 2s 0.000703 0.008516 -0.020058 0.007662 -0.022593 0.052424 28O 3s -0.040177 -0.102995 0.086180 0.025947 0.189924 -0.398477 28O 4s 0.271393 0.411026 0.093062 -0.428553 -0.481372 0.826828 28O 5s 0.810489 0.201020 0.009187 -0.676035 0.441997 -0.860554 28O 1pz -0.026861 0.059068 0.045445 0.097977 0.040172 0.032873 28O 1px 0.057441 0.004715 0.234536 -0.013367 0.024521 0.014926 28O 1py -0.023779 -0.051224 0.113077 0.031371 -0.000928 -0.042517 28O 2pz -0.114389 -0.234131 -0.217858 0.016903 -0.053532 -0.068154 28O 2px -0.003569 0.161116 -0.399871 -0.252032 -0.131931 -0.055717 28O 2py -0.051498 0.090357 -0.280984 -0.007331 0.006382 0.105474 28O 3pz -0.522480 0.277008 -0.475919 0.191743 -0.013734 -0.051845 28O 3px 0.362237 -0.091806 0.287992 -0.165558 0.149338 -0.046945 28O 3py -0.239681 0.087130 -0.216992 0.023000 -0.045314 -0.156707 28O 1dz2 0.005328 0.000204 0.000634 -0.001353 0.003403 -0.006059 28O 1dxz 0.003780 0.000018 0.011481 -0.005852 0.004070 -0.005279 28O 1dyz 0.004020 0.001703 -0.001861 -0.001670 0.003181 -0.007889 28O 1dx2y2 -0.007471 0.002051 -0.008368 0.004094 0.002232 0.003588 28O 1dxy 0.001263 -0.000259 -0.000998 -0.001895 -0.002939 -0.001981 28O 2dz2 0.010285 0.071118 0.116492 -0.002174 0.046603 0.041019 28O 2dxz -0.012524 -0.041188 -0.023135 0.040180 0.002981 0.011948 28O 2dyz 0.052011 -0.027219 0.053535 -0.062754 0.000697 -0.086895 28O 2dx2y2 -0.010661 -0.036470 -0.088518 -0.009739 -0.000668 -0.026685 28O 2dxy 0.007973 0.061590 -0.054422 -0.004493 0.038158 0.014202 28O 1f0 -0.009222 0.002673 0.001111 0.003200 -0.001359 0.006784 28O 1f+1 0.034931 -0.030323 0.006575 -0.006465 0.001155 0.003793 28O 1f-1 0.013889 -0.004463 0.003618 -0.007792 0.003584 -0.006472 28O 1f+2 -0.007816 -0.010747 -0.014051 0.024725 0.002596 0.008740 28O 1f-2 0.023363 0.016046 0.011005 -0.017610 0.010331 0.000077 28O 1f+3 0.013030 -0.024762 -0.003928 0.006161 0.007606 0.000123 28O 1f-3 0.039085 0.020033 0.017712 -0.022738 0.016541 -0.011696 29O 1s 0.004542 -0.006838 -0.016170 0.005494 0.006102 -0.008304 29O 2s 0.015081 -0.022767 -0.054263 0.018422 0.020476 -0.027965 29O 3s -0.089705 0.139862 0.356791 -0.120435 -0.132415 0.189631 29O 4s 0.200791 -0.306862 -0.630967 0.203614 0.234177 -0.307596 29O 5s -0.736188 1.004324 1.301076 -0.409591 -0.548796 0.426273 29O 1pz 0.000762 0.017898 0.039518 -0.023059 -0.013118 0.033409 29O 1px 0.010967 -0.009562 -0.120384 0.035811 0.020043 -0.080497 29O 1py -0.031998 0.052358 0.067972 -0.015579 -0.021351 0.016927 29O 2pz 0.022890 -0.077779 -0.082730 0.089130 0.048851 -0.092385 29O 2px -0.088966 0.101484 0.333756 -0.086491 -0.078382 0.171132 29O 2py 0.123083 -0.182823 -0.231816 0.059963 0.083804 -0.062002 29O 3pz -0.088158 0.080229 0.172858 -0.019091 -0.050364 0.032700 29O 3px 0.193055 -0.292427 -0.405044 0.117765 0.105967 -0.159702 29O 3py 0.112049 -0.080484 -0.104332 0.058034 0.110550 -0.011130 29O 1dz2 0.001072 -0.003396 -0.000405 0.001915 -0.000048 -0.000971 29O 1dxz 0.005024 -0.003569 -0.004531 -0.000056 0.001530 0.000661 29O 1dyz 0.000090 -0.000461 0.002374 0.002048 0.001191 0.000193 29O 1dx2y2 -0.002635 0.005064 0.002232 -0.000461 -0.000807 -0.000315 29O 1dxy -0.001662 -0.000414 0.000997 0.000808 -0.001292 -0.001594 29O 2dz2 -0.014263 0.021628 0.031193 -0.024361 -0.019958 0.021705 29O 2dxz 0.002646 0.006417 0.018594 0.007038 -0.002431 0.002434 29O 2dyz -0.001999 0.016208 0.006074 -0.027441 -0.001981 0.024789 29O 2dx2y2 -0.010223 0.017089 0.002046 0.007783 0.005286 -0.011559 29O 2dxy 0.036261 -0.053168 -0.080074 0.013928 0.019386 -0.033467 29O 1f0 0.002620 -0.001806 -0.002699 -0.000240 0.003098 0.000354 29O 1f+1 -0.002903 0.001606 0.002759 -0.001956 -0.002284 0.000704 29O 1f-1 0.001481 0.001630 0.001182 -0.000861 0.001154 0.002363 29O 1f+2 0.001314 0.001485 -0.000647 -0.000522 -0.001241 0.002114 29O 1f-2 -0.000435 -0.000447 0.000124 0.003313 0.002068 0.000036 29O 1f+3 0.001768 -0.002826 -0.001051 -0.000567 0.000998 0.001367 29O 1f-3 0.000445 0.001930 0.000131 -0.001799 -0.000837 0.000436 30O 1s 0.008868 0.007965 -0.011641 -0.013199 -0.024330 0.004350 30O 2s 0.031319 0.029493 -0.036929 -0.044633 -0.081780 0.016508 30O 3s -0.186387 -0.267942 0.190825 0.304368 0.569330 -0.119043 30O 4s 0.025331 0.667363 -0.113487 -0.428944 -1.026703 0.135779 30O 5s -1.570779 -0.539508 0.978988 0.929260 0.980048 -1.109062 30O 1pz 0.005301 -0.049583 -0.040998 -0.005744 0.033729 -0.001925 30O 1px 0.086958 -0.021745 0.173691 -0.047990 0.200375 0.163241 30O 1py 0.133395 0.093693 0.060528 0.039343 0.093444 -0.054422 30O 2pz 0.153980 0.029749 -0.085949 -0.061994 -0.185280 0.079397 30O 2px -0.387748 0.217162 -0.201599 0.238789 -0.389400 -0.454498 30O 2py -0.445539 -0.116729 0.048007 -0.047887 -0.130044 0.050860 30O 3pz -0.179581 0.186510 -0.424401 0.165532 -0.354255 -0.158758 30O 3px -0.090089 -0.127402 0.378882 0.123694 0.275204 -0.092861 30O 3py 0.397521 -0.133238 0.464202 -0.187684 0.480262 0.142802 30O 1dz2 0.001407 -0.002103 0.000394 -0.000482 -0.000545 0.003068 30O 1dxz 0.003833 0.000610 0.008673 0.002453 0.018636 0.000306 30O 1dyz 0.005845 0.004971 0.003422 -0.002574 -0.001786 0.006828 30O 1dx2y2 0.004530 0.002269 -0.007930 -0.001567 -0.012093 0.000435 30O 1dxy 0.001173 -0.005895 -0.012805 -0.003183 -0.012940 -0.002762 30O 2dz2 0.066977 -0.014628 0.026059 -0.019924 0.110519 0.046887 30O 2dxz -0.039058 -0.004445 -0.026256 -0.009318 -0.085695 0.026079 30O 2dyz 0.032639 -0.016686 -0.135666 -0.042092 -0.152263 -0.009872 30O 2dx2y2 0.011330 -0.009557 -0.050969 0.040668 -0.006310 -0.103026 30O 2dxy -0.061960 0.016361 -0.034759 -0.008859 -0.092243 -0.013451 30O 1f0 -0.012594 0.008510 0.000464 0.002201 -0.005087 0.000456 30O 1f+1 -0.028968 -0.006566 0.025626 0.008328 0.009409 -0.006392 30O 1f-1 -0.003363 -0.006933 -0.002715 -0.004951 -0.010327 0.003055 30O 1f+2 0.017194 -0.020427 -0.009164 -0.016205 0.003183 0.000918 30O 1f-2 0.011035 -0.003162 -0.026536 -0.009580 -0.014657 0.006422 30O 1f+3 0.000099 -0.031424 0.033707 -0.007170 0.039127 -0.008225 30O 1f-3 -0.008365 -0.004420 -0.012356 0.000769 -0.015284 -0.002778 31O 1s 0.009219 0.009005 0.009295 0.012675 -0.024470 0.008312 31O 2s 0.032434 0.032900 0.028739 0.042960 -0.082163 0.028444 31O 3s -0.193615 -0.289880 -0.128622 -0.294413 0.567466 -0.211927 31O 4s 0.042468 0.704387 -0.011867 0.417789 -0.999486 0.390751 31O 5s -1.565976 -0.597810 -0.831811 -0.932144 1.040701 -0.296950 31O 1pz -0.008291 0.047051 -0.046774 -0.003757 -0.031945 0.046475 31O 1px -0.078430 0.037793 0.164452 -0.058752 -0.202583 0.114145 31O 1py -0.133366 -0.093719 0.071552 0.035132 -0.094479 -0.167094 31O 2pz -0.147835 -0.030462 -0.072199 -0.061784 0.193800 -0.080375 31O 2px 0.367989 -0.246223 -0.175746 0.259129 0.378845 -0.283242 31O 2py 0.445236 0.121970 0.024326 -0.044057 0.120004 0.336007 31O 3pz 0.167659 -0.212400 -0.418687 0.194097 0.365674 0.048484 31O 3px 0.093910 0.151425 0.357568 0.116978 -0.294964 0.076862 31O 3py -0.383145 0.158057 0.468931 -0.221496 -0.492864 -0.127756 31O 1dz2 0.001250 -0.002214 -0.000176 0.000556 -0.000663 -0.003107 31O 1dxz 0.003639 0.000053 -0.008094 -0.001841 0.018763 0.001024 31O 1dyz 0.005664 0.004832 -0.004173 0.002716 -0.001867 0.000631 31O 1dx2y2 0.004708 0.002850 0.007025 0.000890 -0.012427 0.001114 31O 1dxy 0.001729 -0.005060 0.012392 0.002487 -0.013207 0.000445 31O 2dz2 0.067550 -0.016694 -0.024181 0.022750 0.109477 0.002676 31O 2dxz -0.041009 -0.004190 0.026364 0.007369 -0.085200 -0.048696 31O 2dyz 0.036565 -0.006899 0.126992 0.037861 -0.157636 0.032276 31O 2dx2y2 0.015294 -0.002993 0.048017 -0.043337 -0.008096 0.102996 31O 2dxy -0.061281 0.019151 0.032223 0.006222 -0.090734 -0.021600 31O 1f0 0.012388 -0.008611 0.000647 0.002632 0.004675 0.005874 31O 1f+1 0.030490 0.008119 0.023843 0.007926 -0.011256 0.010221 31O 1f-1 0.003445 0.006704 -0.002871 -0.004925 0.010685 0.004589 31O 1f+2 -0.017831 0.019618 -0.009678 -0.016564 -0.002094 -0.006674 31O 1f-2 -0.011608 0.001912 -0.026213 -0.008719 0.016301 0.003155 31O 1f+3 0.000399 0.033002 0.030620 -0.009045 -0.039790 -0.005959 31O 1f-3 0.008471 0.003648 -0.012312 0.001631 0.015192 0.003930 32O 1s 0.005058 -0.006083 0.016212 -0.004960 0.005840 0.010291 32O 2s 0.016810 -0.020217 0.054406 -0.016626 0.019579 0.034365 32O 3s -0.101121 0.122641 -0.358114 0.109018 -0.126318 -0.222189 32O 4s 0.221171 -0.274280 0.635525 -0.182006 0.222781 0.378894 32O 5s -0.776032 0.939846 -1.307197 0.349438 -0.523848 -0.800813 32O 1pz 0.000256 -0.014092 0.038484 -0.021900 0.012505 0.030223 32O 1px -0.016193 0.003552 -0.121193 0.035720 -0.019021 -0.080315 32O 1py 0.034309 -0.048232 0.069548 -0.013665 0.020596 0.034781 32O 2pz -0.023429 0.068980 -0.078764 0.083128 -0.047065 -0.080954 32O 2px 0.102352 -0.086057 0.335613 -0.082079 0.074670 0.216731 32O 2py -0.130235 0.171212 -0.233790 0.052374 -0.080877 -0.133668 32O 3pz 0.095181 -0.068863 0.174314 -0.015965 0.047641 0.078915 32O 3px -0.207138 0.268777 -0.410468 0.105921 -0.098771 -0.221549 32O 3py -0.114061 0.078823 -0.098105 0.047260 -0.106173 -0.106912 32O 1dz2 0.001150 -0.003358 0.000544 -0.001865 0.000034 0.001236 32O 1dxz 0.005177 -0.003260 0.004540 0.000219 0.001421 0.001959 32O 1dyz 0.000028 -0.000636 -0.002316 -0.001923 0.001235 0.000062 32O 1dx2y2 -0.002652 0.004999 -0.002251 0.000216 -0.000740 -0.001000 32O 1dxy -0.001660 -0.000454 -0.000817 -0.000931 -0.001191 -0.000812 32O 2dz2 -0.015174 0.020300 -0.031469 0.020617 -0.019500 -0.027076 32O 2dxz 0.001488 0.006897 -0.019881 -0.008010 -0.002135 -0.016371 32O 2dyz -0.003133 0.017295 -0.007469 0.027366 -0.003380 -0.016380 32O 2dx2y2 -0.010743 0.017006 -0.003645 -0.008525 0.005502 0.007438 32O 2dxy 0.038591 -0.048847 0.080000 -0.012628 0.018585 0.049938 32O 1f0 -0.002404 0.001854 -0.002490 -0.000599 -0.002777 -0.001619 32O 1f+1 0.002991 -0.001664 0.002740 -0.001724 0.002344 0.002563 32O 1f-1 -0.001468 -0.001248 0.001428 -0.001015 -0.001054 0.001085 32O 1f+2 -0.001325 -0.001596 -0.000588 -0.000501 0.001358 0.000095 32O 1f-2 0.000633 0.000340 0.000396 0.002999 -0.001927 -0.000458 32O 1f+3 -0.001726 0.002806 -0.001043 -0.000703 -0.000950 0.000166 32O 1f-3 -0.000573 -0.001872 0.000040 -0.001671 0.000699 -0.000257 33O 1s 0.000676 0.002980 0.006253 -0.001342 -0.006634 0.018186 33O 2s 0.001936 0.010580 0.018192 -0.002365 -0.023776 0.059055 33O 3s -0.045547 -0.113490 -0.067276 -0.060885 0.200132 -0.373177 33O 4s 0.263771 0.407505 -0.159112 0.478752 -0.507479 0.492905 33O 5s 0.803089 0.174004 -0.027863 0.598659 0.436130 -0.580032 33O 1pz 0.027443 -0.057159 0.040177 0.097346 -0.049221 -0.154292 33O 1px -0.049294 0.009053 0.227738 -0.003673 -0.031968 0.056281 33O 1py 0.030720 0.063047 0.106118 0.039228 -0.001307 0.198676 33O 2pz 0.105865 0.219318 -0.220601 0.005818 0.068214 0.234146 33O 2px -0.005537 -0.179164 -0.364634 -0.259506 0.154884 0.030091 33O 2py 0.035148 -0.118530 -0.271234 -0.027065 -0.003952 -0.499589 33O 3pz 0.504106 -0.303351 -0.480655 0.178978 0.009176 -0.380795 33O 3px -0.351138 0.115642 0.286951 -0.156044 -0.152240 0.135978 33O 3py 0.232380 -0.096165 -0.220585 0.027451 0.044613 -0.064056 33O 1dz2 0.005211 -0.000064 -0.000510 0.000867 0.003379 -0.003882 33O 1dxz 0.003395 -0.000549 -0.011255 0.004959 0.004300 -0.008621 33O 1dyz 0.004293 0.001824 0.002045 0.001056 0.003258 0.004476 33O 1dx2y2 -0.007020 0.002866 0.008505 -0.003153 0.002207 0.013699 33O 1dxy 0.001151 -0.000437 0.000618 0.001623 -0.003248 -0.011445 33O 2dz2 0.008778 0.068050 -0.111996 -0.001856 0.055837 0.163005 33O 2dxz -0.011926 -0.041542 0.026262 -0.037329 0.002198 -0.012039 33O 2dyz 0.048227 -0.035260 -0.051408 0.052320 -0.002324 -0.224471 33O 2dx2y2 -0.008897 -0.032547 0.086686 0.011201 -0.006003 -0.050630 33O 2dxy 0.014074 0.070527 0.052890 0.008332 0.041642 0.252319 33O 1f0 0.009391 -0.002306 0.000833 0.003584 0.001168 -0.004069 33O 1f+1 -0.033748 0.032584 0.005994 -0.005302 0.000479 0.041525 33O 1f-1 -0.013822 0.005160 0.003616 -0.007059 -0.003263 0.007808 33O 1f+2 0.007348 0.009727 -0.015089 0.023421 -0.002873 -0.015680 33O 1f-2 -0.023841 -0.016546 0.012179 -0.017855 -0.010854 -0.031062 33O 1f+3 -0.013261 0.024958 -0.004956 0.005819 -0.007164 0.008501 33O 1f-3 -0.039677 -0.020325 0.018851 -0.022235 -0.017226 -0.029148 34O 1s -0.006908 -0.026444 -0.026221 0.006654 0.026607 -0.005743 34O 2s -0.022945 -0.093117 -0.089079 0.025646 0.090511 -0.021273 34O 3s 0.159318 0.776651 0.657661 -0.297207 -0.650156 0.214102 34O 4s -0.222125 -2.043143 -1.412258 1.117372 1.337597 -0.734562 34O 5s -0.128769 0.686769 1.092738 0.585176 -1.291699 -0.145167 34O 1pz 0.133604 -0.126116 0.058577 0.159961 -0.051343 0.058733 34O 1px 0.040950 -0.043438 0.123683 0.045058 -0.153345 -0.025518 34O 1py 0.010851 0.027929 -0.022878 -0.036077 0.057547 -0.067793 34O 2pz -0.358345 0.294699 -0.138040 -0.402173 0.091054 -0.108145 34O 2px -0.065851 -0.301673 -0.324452 0.392436 0.262113 -0.211750 34O 2py -0.048614 0.062394 0.037303 -0.070984 -0.055465 0.186788 34O 3pz 0.090473 -0.138336 -0.026794 0.056169 -0.140854 0.039458 34O 3px 0.166794 -0.451511 0.382480 0.196754 -0.374100 0.024039 34O 3py -0.121210 0.349404 -0.080608 -0.022533 0.188389 -0.123126 34O 1dz2 -0.002135 -0.000587 0.006607 -0.001066 -0.006432 0.003739 34O 1dxz 0.002362 -0.002624 0.001472 0.007503 -0.006863 -0.005065 34O 1dyz -0.003521 -0.005993 -0.007431 -0.000196 0.011616 -0.002764 34O 1dx2y2 -0.001978 -0.003644 -0.011414 -0.001238 0.018353 0.002348 34O 1dxy 0.004964 -0.002001 0.009257 0.000876 -0.004405 0.003487 34O 2dz2 -0.023114 -0.030533 -0.033582 -0.027823 0.073134 0.013617 34O 2dxz -0.192706 0.109067 -0.118636 -0.159834 0.073666 -0.069104 34O 2dyz 0.046652 -0.080332 -0.068060 0.029129 0.089505 -0.002601 34O 2dx2y2 -0.040237 0.006833 -0.030174 -0.005453 0.005966 0.029245 34O 2dxy -0.104548 0.044830 -0.060857 -0.106885 0.049724 0.069366 34O 1f0 -0.002581 0.003220 -0.004824 -0.006442 0.011023 -0.003245 34O 1f+1 0.013575 0.011144 0.002780 -0.014588 0.003468 0.017182 34O 1f-1 0.005635 -0.002427 0.000385 0.002541 0.003792 0.003389 34O 1f+2 0.006929 -0.011847 0.023454 0.011997 -0.024869 0.004569 34O 1f-2 -0.007668 -0.002017 0.018987 -0.004956 -0.016973 0.005187 34O 1f+3 -0.020590 0.011864 -0.013707 -0.024095 0.011818 0.011565 34O 1f-3 -0.005770 -0.013339 0.014519 0.016357 -0.029537 0.006684 35O 1s 0.018335 -0.012165 -0.025587 0.016217 0.005268 -0.022608 35O 2s 0.062186 -0.042969 -0.090398 0.054643 0.018248 -0.078583 35O 3s -0.477375 0.347925 0.741680 -0.367506 -0.146646 0.595232 35O 4s 1.221079 -0.888346 -1.878064 0.533594 0.410243 -1.221638 35O 5s 0.110571 0.678071 1.215583 -1.211061 0.019247 1.495658 35O 1pz 0.045627 0.014306 0.045332 0.043445 0.025958 0.082254 35O 1px -0.138260 0.037314 -0.060988 0.053191 -0.034327 -0.012841 35O 1py -0.088702 -0.183939 0.089411 -0.144629 -0.029110 -0.009620 35O 2pz -0.089588 -0.070824 -0.097373 -0.126279 -0.064410 -0.175315 35O 2px 0.406114 -0.212468 -0.152994 -0.297682 0.131120 -0.019528 35O 2py 0.280488 0.406517 -0.340295 0.308376 0.087773 0.055129 35O 3pz 0.018963 -0.256102 0.090650 0.157731 0.056048 0.054705 35O 3px 0.133837 -0.277027 0.428066 -0.205838 0.167164 0.367180 35O 3py -0.008704 -0.338653 0.204802 -0.030036 -0.000119 0.203802 35O 1dz2 -0.013546 0.005725 0.005114 -0.004639 -0.006937 0.006368 35O 1dxz 0.005297 0.004285 -0.012216 0.007009 0.000344 -0.003001 35O 1dyz -0.007843 0.001948 0.001461 -0.000033 -0.000464 0.002534 35O 1dx2y2 0.010144 0.000704 -0.000150 0.005951 0.003664 -0.002644 35O 1dxy 0.007202 -0.002442 -0.001835 -0.004261 0.000485 -0.001372 35O 2dz2 -0.078101 -0.004348 -0.000942 -0.034018 -0.022021 0.008895 35O 2dxz -0.113693 -0.123599 -0.061678 -0.109392 -0.022347 -0.129300 35O 2dyz -0.115922 0.007898 0.014721 -0.075180 -0.032807 -0.009590 35O 2dx2y2 -0.059962 -0.189093 0.164163 -0.203454 -0.001178 0.027348 35O 2dxy 0.012910 0.176047 -0.067579 0.117978 0.010816 0.080686 35O 1f0 -0.013568 -0.006260 -0.005767 -0.002114 -0.003520 -0.031616 35O 1f+1 0.015135 0.015506 -0.000301 0.016509 -0.000365 -0.000549 35O 1f-1 0.008949 0.015840 -0.009795 0.017813 0.000973 -0.005736 35O 1f+2 0.011344 0.007701 0.013935 0.004353 -0.000716 0.020043 35O 1f-2 0.008298 -0.009086 -0.005343 0.006140 0.002356 -0.006614 35O 1f+3 0.001038 -0.015180 0.020397 -0.013301 -0.006257 0.013320 35O 1f-3 -0.007083 -0.003108 0.014661 0.009581 0.003236 -0.002057 522 523 524 525 526 527 3.29370 3.29508 3.29693 3.30913 3.32770 3.35199 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s -0.000530 0.001403 0.000117 -0.000557 0.000196 0.000760 0Rh 2s 0.002299 -0.008640 -0.001334 0.000947 -0.002139 -0.005402 0Rh 3s -0.001755 0.003104 -0.000114 -0.002731 -0.000130 0.001248 0Rh 4s -0.012402 0.046597 0.007059 -0.005057 0.011517 0.029136 0Rh 5s 0.017212 -0.086744 -0.015249 -0.006535 -0.026661 -0.057414 0Rh 6s 0.024605 0.022168 0.012233 0.083328 0.031953 0.027974 0Rh 7s -0.118484 0.101263 0.024193 -0.778710 -0.053494 -0.198418 0Rh 8s 0.159282 -0.231814 0.032912 0.010514 -0.028092 -0.135664 0Rh 1pz 0.000927 -0.000043 -0.004191 0.003686 0.000785 -0.001039 0Rh 1px 0.001266 -0.000047 0.000218 -0.004691 -0.000649 -0.001612 0Rh 1py -0.000818 -0.001071 -0.001789 0.003649 0.000495 0.004207 0Rh 2pz -0.003137 -0.000141 0.015807 -0.013973 -0.002726 0.004480 0Rh 2px -0.004674 -0.000055 -0.000874 0.016977 0.002506 0.006212 0Rh 2py 0.003299 0.003806 0.007293 -0.014274 -0.002396 -0.016095 0Rh 3pz -0.002654 0.007085 -0.027881 0.025669 -0.000436 -0.020045 0Rh 3px 0.006351 0.004895 0.002635 -0.013299 -0.005583 -0.014401 0Rh 3py -0.010920 -0.001351 -0.025026 0.036435 0.015925 0.033362 0Rh 4pz 0.040223 -0.031939 -0.005077 0.003685 0.024859 0.051118 0Rh 4px 0.006705 -0.018685 -0.004732 -0.088037 0.003298 0.018589 0Rh 4py 0.024128 -0.026954 0.052990 -0.046420 -0.051585 -0.018133 0Rh 5pz -0.090544 0.063544 0.028883 -0.052088 -0.053035 -0.066218 0Rh 5px 0.018318 0.011763 0.013123 0.253452 0.010727 -0.069924 0Rh 5py -0.049403 0.063756 -0.086028 0.063525 0.081100 0.021391 0Rh 6pz 0.125494 0.299048 -0.291548 0.706602 -0.083642 -1.292869 0Rh 6px -1.056587 0.674654 -0.228661 -0.898308 -0.561438 0.989039 0Rh 6py -0.079165 -0.152439 -0.805055 0.908994 0.963120 -0.020608 0Rh 1dz2 -0.012335 -0.001847 0.001282 -0.009636 0.020565 0.012639 0Rh 1dxz -0.010616 0.018248 0.000211 -0.001304 -0.003325 0.003972 0Rh 1dyz -0.003814 0.011815 -0.007156 -0.003025 -0.001251 0.003048 0Rh 1dx2y2 0.014244 -0.018396 0.018760 0.007408 -0.002079 -0.024476 0Rh 1dxy 0.004839 -0.008914 -0.012650 0.017999 0.010359 -0.028516 0Rh 2dz2 -0.000227 -0.002689 0.001012 -0.001581 0.001113 0.002545 0Rh 2dxz -0.000589 0.000847 0.001375 0.000191 -0.001134 -0.001420 0Rh 2dyz -0.001278 -0.000094 0.000647 -0.001370 -0.004854 0.004592 0Rh 2dx2y2 -0.000515 0.000333 0.001889 0.000567 -0.000634 -0.000352 0Rh 2dxy -0.000147 -0.000514 -0.001690 0.002986 0.000723 -0.002682 0Rh 3dz2 0.041548 0.018433 -0.009019 0.039033 -0.072936 -0.053593 0Rh 3dxz 0.037539 -0.063781 -0.006998 0.003363 0.016146 -0.006781 0Rh 3dyz 0.018336 -0.038355 0.020626 0.016351 0.026452 -0.031260 0Rh 3dx2y2 -0.044371 0.058951 -0.070141 -0.026940 0.009485 0.083020 0Rh 3dxy -0.015162 0.031609 0.049303 -0.072821 -0.037367 0.106868 0Rh 4dz2 -0.027385 -0.042966 0.018121 -0.043869 0.056209 0.063447 0Rh 4dxz -0.028450 0.046302 0.020480 0.000322 -0.023374 -0.009806 0Rh 4dyz -0.026712 0.021307 -0.005476 -0.028805 -0.071565 0.073742 0Rh 4dx2y2 0.019116 -0.029524 0.061594 0.022900 -0.009672 -0.058284 0Rh 4dxy 0.005215 -0.023700 -0.049978 0.077774 0.029920 -0.096786 0Rh 5dz2 -0.055577 0.102278 -0.026617 0.048552 0.020840 -0.018098 0Rh 5dxz -0.054588 0.076634 -0.059765 -0.020021 0.036762 0.061059 0Rh 5dyz 0.063122 0.030484 -0.015785 0.087380 0.074658 -0.125848 0Rh 5dx2y2 0.131238 -0.145378 0.043008 0.013419 -0.026726 -0.091393 0Rh 5dxy 0.073991 -0.052084 0.046819 -0.047096 0.000393 -0.016653 0Rh 1f0 0.001434 0.020286 -0.001968 -0.010290 0.014593 -0.000333 0Rh 1f+1 0.003579 -0.004604 0.011691 -0.004562 -0.003200 -0.019377 0Rh 1f-1 0.003967 0.012027 0.015339 -0.010308 0.010424 -0.034749 0Rh 1f+2 0.036722 -0.024778 -0.024014 0.014784 0.009916 -0.007119 0Rh 1f-2 0.016693 -0.008078 0.004341 -0.016152 0.032457 -0.023579 0Rh 1f+3 0.000093 -0.022651 0.019211 0.008857 -0.013865 -0.016838 0Rh 1f-3 0.024433 -0.017133 0.000417 -0.006093 0.011703 -0.028124 1Rh 1s 0.000402 -0.001363 -0.000091 -0.000519 -0.000258 -0.000756 1Rh 2s -0.000445 0.008194 0.001058 0.000811 0.002552 0.005365 1Rh 3s 0.002124 -0.003141 0.000101 -0.002587 0.000009 -0.001248 1Rh 4s 0.002758 -0.044233 -0.005632 -0.004306 -0.013723 -0.028938 1Rh 5s 0.002507 0.081704 0.012682 -0.007528 0.030676 0.056996 1Rh 6s -0.031966 -0.018488 -0.013118 0.081838 -0.032103 -0.027663 1Rh 7s -0.055126 -0.089871 0.019894 -0.780939 0.023415 0.198120 1Rh 8s -0.082023 0.221842 -0.042831 0.000979 0.033012 0.135175 1Rh 1pz 0.000886 -0.000203 -0.003937 -0.003801 0.000629 -0.000983 1Rh 1px 0.001447 -0.000071 0.000198 0.004837 -0.000506 -0.001541 1Rh 1py -0.003902 -0.000831 -0.001438 -0.003921 0.000413 0.003827 1Rh 2pz -0.003444 0.000500 0.014890 0.014398 -0.002124 0.004252 1Rh 2px -0.005385 0.000046 -0.000818 -0.017531 0.001993 0.005933 1Rh 2py 0.014961 0.002894 0.005946 0.015352 -0.002075 -0.014634 1Rh 3pz 0.008161 0.005152 -0.027219 -0.026225 -0.001782 -0.019244 1Rh 3px 0.008186 0.004494 0.002992 0.014378 -0.005332 -0.013692 1Rh 3py -0.031811 0.000384 -0.022167 -0.039554 0.015018 0.030270 1Rh 4pz -0.006834 -0.028550 -0.000238 -0.004566 0.025761 0.049409 1Rh 4px 0.004989 -0.017793 -0.007022 0.087504 0.006706 0.017736 1Rh 4py 0.019875 -0.027115 0.051341 0.051712 -0.050027 -0.016659 1Rh 5pz -0.001840 0.058225 0.017399 0.053258 -0.052721 -0.063845 1Rh 5px 0.009631 0.011187 0.020428 -0.250482 0.000974 -0.068839 1Rh 5py -0.020554 0.062271 -0.085184 -0.072065 0.078694 0.021369 1Rh 6pz 0.251602 0.279793 -0.263485 -0.682097 -0.123886 -1.252335 1Rh 6px -0.721251 0.641219 -0.288501 0.827483 -0.526646 1.000270 1Rh 6py -0.423146 -0.112378 -0.746002 -0.983233 0.919050 -0.019032 1Rh 1dz2 0.023149 0.000835 -0.002026 -0.007533 -0.021565 -0.011428 1Rh 1dxz 0.013444 -0.018446 -0.000768 -0.000766 0.003701 -0.004805 1Rh 1dyz -0.005012 -0.011080 0.007920 -0.002801 0.001509 -0.003981 1Rh 1dx2y2 -0.013582 0.018511 -0.018850 0.005440 0.002133 0.024145 1Rh 1dxy -0.002451 0.008743 0.011991 0.017831 -0.009614 0.029192 1Rh 2dz2 0.002174 0.002532 -0.001140 -0.001470 -0.001259 -0.002535 1Rh 2dxz 0.000052 -0.000802 -0.001320 0.000085 0.001191 0.001338 1Rh 2dyz 0.000019 0.000280 -0.000621 -0.001487 0.004906 -0.005380 1Rh 2dx2y2 0.001656 -0.000425 -0.002053 0.000542 0.000646 0.000229 1Rh 2dxy 0.000701 0.000477 0.001486 0.003003 -0.000552 0.002602 1Rh 3dz2 -0.086041 -0.014390 0.012062 0.031609 0.076908 0.049620 1Rh 3dxz -0.044333 0.064217 0.008573 0.002074 -0.017647 0.009918 1Rh 3dyz 0.016296 0.035088 -0.023239 0.016149 -0.027551 0.038163 1Rh 3dx2y2 0.036906 -0.058899 0.071195 -0.020366 -0.009726 -0.081330 1Rh 3dxy 0.004784 -0.030880 -0.046202 -0.072343 0.034121 -0.108677 1Rh 4dz2 0.078026 0.038705 -0.021648 -0.038132 -0.060317 -0.062617 1Rh 4dxz 0.024646 -0.045867 -0.020619 -0.000222 0.024895 0.007021 1Rh 4dyz -0.006973 -0.017185 0.007072 -0.029861 0.072980 -0.091207 1Rh 4dx2y2 -0.001713 0.028420 -0.064111 0.018911 0.010125 0.055075 1Rh 4dxy 0.006860 0.022897 0.045729 0.077790 -0.025874 0.095621 1Rh 5dz2 -0.003704 -0.098895 0.032586 0.052072 -0.020008 0.049251 1Rh 5dxz 0.106208 -0.080726 0.054429 -0.010242 -0.037225 -0.062678 1Rh 5dyz -0.059857 -0.035240 0.020142 0.084860 -0.077852 0.215349 1Rh 5dx2y2 -0.144629 0.147016 -0.040959 0.000164 0.024843 0.105713 1Rh 5dxy -0.067163 0.051457 -0.042119 -0.052892 -0.006046 0.045838 1Rh 1f0 -0.002799 0.020759 -0.001855 0.009541 0.015142 -0.000993 1Rh 1f+1 0.005266 -0.004621 0.011429 0.005618 -0.003179 -0.016876 1Rh 1f-1 0.012613 0.011870 0.013700 0.011266 0.010703 -0.035171 1Rh 1f+2 0.046351 -0.025932 -0.024238 -0.013112 0.009162 -0.008540 1Rh 1f-2 0.016374 -0.008184 0.004261 0.016374 0.032620 -0.016060 1Rh 1f+3 -0.007377 -0.021492 0.019446 -0.007619 -0.014197 -0.019529 1Rh 1f-3 0.026085 -0.017164 -0.000381 0.007535 0.012088 -0.028770 2C 1s -0.003863 -0.003232 0.001893 -0.006622 0.000595 0.005687 2C 2s -0.011892 -0.009877 0.005378 -0.020109 0.001552 0.015017 2C 3s -0.052774 0.077810 0.154457 -0.115086 0.050422 -0.040134 2C 4s 0.495465 0.411896 -1.129784 1.334995 -0.104322 -1.240815 2C 5s 0.274915 0.070806 -0.519745 -0.139689 -0.295587 -0.475389 2C 1pz -0.025785 0.043444 0.040100 -0.018532 0.006661 -0.008910 2C 1px -0.024835 0.011651 0.024362 -0.032584 0.041563 -0.171754 2C 1py 0.018664 0.041996 0.017677 -0.002863 0.027112 -0.083897 2C 2pz 0.510122 0.437932 -0.631160 0.766722 0.052681 -0.899848 2C 2px 0.029857 -0.060635 -0.117253 0.368192 -0.170724 0.966051 2C 2py -0.626523 -0.076812 -0.442680 0.076614 -0.051119 -0.420945 2C 3pz 0.186921 0.027607 -0.222531 0.043788 -0.105149 -0.291355 2C 3px -0.079523 -0.061323 0.030308 0.093613 -0.005218 0.218753 2C 3py 0.106482 0.104335 -0.181109 0.133334 -0.049197 -0.022702 2C 1dz2 -0.115722 0.008008 0.019186 -0.070361 0.031764 -0.091061 2C 1dxz 0.001659 0.032171 -0.042784 -0.001310 0.002382 -0.029021 2C 1dyz -0.044202 0.037947 0.077635 -0.085882 0.041165 -0.146146 2C 1dx2y2 -0.001261 0.040489 -0.056518 -0.004151 0.038440 -0.253701 2C 1dxy 0.031363 0.070287 -0.015372 0.025412 -0.005933 0.005316 2C 2dz2 0.396749 0.174282 -0.171939 0.311616 0.037279 -0.344487 2C 2dxz -0.122892 0.165006 -0.083866 0.104464 -0.007895 0.026725 2C 2dyz -0.054874 -0.094081 -0.303666 0.307099 -0.095001 0.180295 2C 2dx2y2 0.112999 -0.177835 0.150628 0.067103 -0.109186 0.819831 2C 2dxy 0.147484 0.004745 -0.063756 0.182864 -0.051611 0.253015 2C 1f0 0.036375 0.019031 -0.011353 0.029269 0.015008 0.026412 2C 1f+1 -0.036033 0.106259 -0.096351 -0.061147 -0.034051 -0.028398 2C 1f-1 -0.063153 -0.086257 -0.049619 0.124514 0.029297 -0.045263 2C 1f+2 -0.287639 -0.287544 0.092119 -0.122610 0.060885 0.048685 2C 1f-2 -0.054403 -0.098032 0.043746 0.031341 -0.003064 0.032830 2C 1f+3 0.219535 0.165573 -0.041453 0.123766 -0.044188 0.102370 2C 1f-3 -0.243473 -0.295390 0.042131 0.026520 0.089767 -0.129294 3C 1s 0.000714 -0.002315 -0.007517 -0.009360 0.000352 -0.001377 3C 2s 0.003446 -0.007411 -0.022629 -0.028700 -0.000281 -0.004883 3C 3s -0.251170 0.035521 0.095725 -0.076631 -0.050540 0.151985 3C 4s 0.961608 0.220628 0.825264 1.606901 -0.665495 -0.568482 3C 5s -0.210373 0.573846 0.383151 0.088545 -0.025992 0.911202 3C 1pz -0.051354 0.029112 0.037687 0.046967 0.032887 0.020427 3C 1px -0.023110 -0.022569 0.049792 -0.029473 -0.166951 -0.030499 3C 1py 0.082346 -0.018424 -0.058872 0.006072 0.041770 -0.060637 3C 2pz 0.502459 -0.036025 0.051228 -0.091378 -1.037501 -0.229457 3C 2px 0.072902 0.204944 -0.528255 0.133961 0.390122 0.139613 3C 2py -0.478921 -0.088365 -0.672910 -1.019957 0.393918 0.412700 3C 3pz 0.008235 0.137926 0.224065 0.146011 -0.078062 0.054706 3C 3px -0.000017 0.056171 0.005482 0.056716 0.107944 0.192569 3C 3py -0.041545 -0.149755 -0.156095 -0.191617 -0.003747 -0.122635 3C 1dz2 0.058033 -0.030309 -0.137384 -0.058906 0.124102 -0.020887 3C 1dxz -0.003870 0.004802 -0.024500 0.003694 0.199547 0.077213 3C 1dyz 0.051635 0.036365 0.012429 0.120653 0.122271 -0.018246 3C 1dx2y2 0.048599 -0.020353 0.076889 0.058781 0.121285 -0.001053 3C 1dxy 0.023846 0.009521 -0.111156 -0.008904 0.061526 0.004776 3C 2dz2 0.005582 -0.046779 -0.035337 -0.337097 -0.442981 0.044941 3C 2dxz 0.005706 0.072639 0.196347 0.127050 -0.484435 -0.091564 3C 2dyz -0.338658 0.014939 0.027827 -0.299186 -0.077016 0.212966 3C 2dx2y2 -0.165095 0.020192 -0.409661 -0.256771 0.391562 0.157903 3C 2dxy -0.043646 -0.151277 0.169819 -0.157616 -0.169958 -0.117303 3C 1f0 -0.040995 0.048663 -0.094993 -0.170166 -0.118745 0.028986 3C 1f+1 0.102484 -0.218819 0.064972 -0.021152 -0.091099 -0.055758 3C 1f-1 0.034254 -0.049333 -0.078932 -0.118021 0.040875 0.011936 3C 1f+2 -0.044959 0.062221 0.010391 -0.023630 0.061052 0.043875 3C 1f-2 0.070616 -0.186464 -0.187872 -0.233032 -0.101672 -0.058527 3C 1f+3 0.080412 -0.037259 -0.102577 -0.025005 -0.127438 -0.051394 3C 1f-3 -0.024459 -0.076608 -0.029061 -0.028189 0.049383 0.004831 4C 1s -0.000504 0.000976 0.002689 0.001648 0.000441 0.000869 4C 2s -0.000815 0.003516 0.007134 0.005764 0.001563 0.001593 4C 3s 0.110991 -0.215048 -0.034123 0.119287 -0.137059 0.454192 4C 4s -0.410627 0.444640 0.360363 -0.710304 0.420475 -1.354661 4C 5s 0.056483 -0.296901 -0.193851 -0.209718 0.376514 -0.061534 4C 1pz 0.088589 0.013050 0.023140 0.015095 -0.015426 0.094329 4C 1px -0.044150 -0.051197 -0.023726 0.030414 0.017091 0.129832 4C 1py -0.089823 -0.089946 0.025240 -0.045579 -0.007267 0.093085 4C 2pz -0.198796 0.067493 -0.814421 0.623218 0.138534 -1.320121 4C 2px 0.208915 0.411985 -0.123892 0.076675 -0.344966 0.172982 4C 2py 0.512903 0.579827 -0.606396 0.630136 -0.049457 -0.539581 4C 3pz 0.300521 0.193765 -0.612327 -0.055528 0.032444 -0.783582 4C 3px 0.701445 0.202846 -0.148268 -0.041920 -0.247603 -0.296051 4C 3py 0.370543 -0.018588 -0.305336 -0.149721 -0.121797 -0.669416 4C 1dz2 -0.327804 -0.114856 -0.067715 -0.094318 -0.001866 -0.027479 4C 1dxz 0.093540 -0.007776 -0.026910 0.009859 0.009535 -0.198395 4C 1dyz 0.202438 0.124110 -0.023912 0.191078 -0.018987 0.043773 4C 1dx2y2 -0.114323 -0.154255 0.093636 -0.081012 -0.058779 0.162507 4C 1dxy -0.059045 -0.105623 0.035726 -0.114601 -0.002340 -0.106232 4C 2dz2 0.347944 -0.483086 0.351348 -0.170648 0.081589 0.360396 4C 2dxz 0.175922 -0.070665 0.228994 0.064668 -0.412901 1.936239 4C 2dyz -0.058168 -0.293938 0.233627 -0.486983 -0.040170 0.427581 4C 2dx2y2 0.265065 0.791684 -0.345231 0.355523 0.271772 -1.278917 4C 2dxy -0.460470 0.219787 -0.163264 -0.114606 -0.110244 0.297740 4C 1f0 -0.309318 -0.193462 0.015922 -0.116429 0.006586 0.051592 4C 1f+1 0.166786 0.035776 0.066681 0.028004 -0.063325 0.259412 4C 1f-1 0.117827 -0.008538 -0.068690 0.173187 -0.023832 0.100442 4C 1f+2 -0.160296 -0.045561 -0.005955 -0.087516 0.043030 -0.129369 4C 1f-2 -0.089042 -0.077641 0.002110 -0.058262 -0.031135 -0.176215 4C 1f+3 -0.114266 0.001901 -0.097486 -0.088496 0.014373 -0.057880 4C 1f-3 -0.102781 -0.224636 0.090947 0.006636 0.008356 0.127351 5C 1s -0.001595 -0.000513 0.000974 0.001226 0.000099 0.000869 5C 2s -0.005532 -0.000430 0.004200 0.004829 -0.000009 0.003310 5C 3s 0.271344 -0.138579 -0.254117 0.064492 0.447249 -0.178697 5C 4s -1.125178 0.508254 0.472278 -0.659945 -1.275324 0.947127 5C 5s -0.027444 0.104436 -0.496553 -0.372143 -0.244410 -0.399789 5C 1pz 0.001995 -0.010028 -0.066775 -0.076119 0.020713 0.005291 5C 1px 0.018773 -0.059912 -0.071836 -0.020187 0.038013 0.038019 5C 1py 0.039977 -0.021892 0.008092 -0.038871 -0.133487 -0.003854 5C 2pz 0.407805 0.041735 0.514483 0.648776 -0.559610 -0.251964 5C 2px -0.205796 0.792513 0.096153 0.600926 0.519561 0.095065 5C 2py -0.737899 -0.034608 -0.460724 -0.621669 1.172708 0.346854 5C 3pz -0.116771 0.226571 0.107537 -0.001729 -0.271528 0.441284 5C 3px -0.104505 0.339913 0.402591 0.179221 0.229445 -0.022941 5C 3py 0.343114 -0.647425 -0.534127 -0.184123 0.439337 -0.704542 5C 1dz2 -0.131964 0.084704 0.290520 0.285826 0.113569 0.046637 5C 1dxz -0.006795 0.030850 0.114713 0.043956 -0.164871 -0.071345 5C 1dyz 0.032708 -0.038138 -0.060679 -0.159289 -0.098863 -0.033358 5C 1dx2y2 -0.009997 -0.048673 0.056115 -0.000091 0.129818 -0.019309 5C 1dxy -0.078438 0.040794 -0.193327 -0.128772 0.007061 0.082346 5C 2dz2 0.400007 -0.336652 -0.236956 -0.280319 0.103314 -0.237971 5C 2dxz -0.039001 0.051158 -1.167038 -0.498794 1.049335 0.207286 5C 2dyz -0.100171 0.242169 0.158791 0.675687 0.397383 0.107981 5C 2dx2y2 -0.336626 0.621196 0.495381 0.531159 -0.957271 0.329319 5C 2dxy 0.412754 -0.370320 0.565044 0.057675 -1.486009 -0.479256 5C 1f0 -0.064078 -0.031615 0.071584 -0.022339 0.183070 0.038709 5C 1f+1 0.036407 -0.143700 -0.155476 -0.077512 -0.033099 -0.048944 5C 1f-1 0.037650 -0.040303 -0.183379 -0.225423 -0.198378 -0.005458 5C 1f+2 -0.038132 0.028812 -0.074671 -0.096140 -0.097425 -0.008253 5C 1f-2 0.038348 -0.081386 0.067638 -0.071648 -0.108189 0.020558 5C 1f+3 0.072088 -0.058760 0.132692 0.133935 0.289489 0.005681 5C 1f-3 -0.035670 0.023257 0.265711 0.135039 -0.125836 0.002835 6C 1s 0.003497 0.000355 -0.001108 0.001359 -0.000110 -0.001263 6C 2s 0.010299 0.000049 -0.004505 0.005219 0.000031 -0.004545 6C 3s -0.271893 0.139035 0.238297 0.067564 -0.434888 0.140085 6C 4s 1.061504 -0.503098 -0.389148 -0.628349 1.212800 -0.869046 6C 5s 0.207030 -0.123141 0.465001 -0.363614 0.238339 0.302289 6C 1pz -0.017907 -0.008678 -0.068229 0.073987 0.023662 0.009000 6C 1px 0.012439 -0.059719 -0.075941 0.016287 0.038974 0.050340 6C 1py 0.008968 -0.019624 0.009572 0.045554 -0.130538 -0.017643 6C 2pz 0.524168 0.034127 0.542988 -0.588968 -0.585700 -0.330627 6C 2px -0.257379 0.794433 0.144090 -0.638722 0.485349 0.116558 6C 2py -0.743494 -0.028275 -0.495498 0.520101 1.195686 0.492074 6C 3pz 0.491756 0.176714 0.041133 0.004938 -0.282705 0.475895 6C 3px 0.238540 0.312890 0.384949 -0.173892 0.213982 -0.040335 6C 3py -0.600156 -0.565767 -0.438913 0.177117 0.459631 -0.746578 6C 1dz2 0.012683 -0.074207 -0.289145 0.290107 -0.099690 -0.054785 6C 1dxz -0.046023 -0.027639 -0.111177 0.031640 0.163873 0.094593 6C 1dyz -0.014890 0.036384 0.064892 -0.164905 0.092158 0.038197 6C 1dx2y2 -0.012585 0.049617 -0.057033 0.002310 -0.129766 0.016945 6C 1dxy 0.114086 -0.043967 0.198899 -0.114573 -0.013976 -0.094821 6C 2dz2 -0.290270 0.324969 0.226473 -0.300055 -0.113348 0.222280 6C 2dxz 0.353368 -0.074670 1.150178 -0.412892 -1.060428 -0.383907 6C 2dyz 0.074272 -0.236720 -0.180811 0.697223 -0.364363 -0.123714 6C 2dx2y2 0.316206 -0.617382 -0.493736 0.512239 0.967040 -0.190827 6C 2dxy -0.500482 0.374917 -0.558008 -0.056409 1.471731 0.678961 6C 1f0 -0.062430 -0.033246 0.072747 0.014068 0.179457 0.062022 6C 1f+1 0.041425 -0.146010 -0.164288 0.078728 -0.029635 -0.041303 6C 1f-1 -0.064751 -0.033204 -0.184089 0.229119 -0.185790 -0.017741 6C 1f+2 -0.105237 0.038423 -0.069669 0.093398 -0.090504 -0.023666 6C 1f-2 0.026946 -0.081438 0.060537 0.079774 -0.104179 0.003840 6C 1f+3 0.090867 -0.061084 0.137066 -0.135547 0.277712 0.030428 6C 1f-3 0.047396 0.015169 0.259403 -0.121924 -0.132807 -0.030861 7C 1s -0.000166 -0.000878 -0.002777 0.001611 -0.000335 -0.000496 7C 2s -0.001099 -0.003186 -0.007384 0.005608 -0.001221 -0.000419 7C 3s -0.025821 0.201112 0.025560 0.115126 0.137891 -0.418291 7C 4s -0.130406 -0.376370 -0.289285 -0.702582 -0.438637 1.290636 7C 5s 0.234020 0.261320 0.165411 -0.171716 -0.386666 0.160351 7C 1pz 0.015161 0.019855 0.028983 -0.011339 -0.015663 0.081441 7C 1px 0.043449 -0.054605 -0.032648 -0.034291 0.014951 0.121410 7C 1py 0.020017 -0.101182 0.014166 0.042760 -0.006277 0.086188 7C 2pz -0.224196 0.066269 -0.787984 -0.646689 0.119031 -1.161190 7C 2px -0.237309 0.416538 -0.079030 -0.060783 -0.331677 0.119836 7C 2py -0.275733 0.658619 -0.524221 -0.628208 -0.064224 -0.497099 7C 3pz 0.199948 0.185884 -0.640198 0.065448 0.069183 -0.832118 7C 3px -0.044778 0.247582 -0.086027 0.077199 -0.240646 -0.274144 7C 3py 0.118323 -0.012309 -0.310418 0.176372 -0.091957 -0.698045 7C 1dz2 0.117781 0.138035 0.087535 -0.081179 -0.001560 0.024944 7C 1dxz 0.016550 0.002183 0.015463 0.005678 -0.009491 0.181415 7C 1dyz -0.057809 -0.137872 0.006788 0.183020 0.025113 -0.043035 7C 1dx2y2 -0.015560 0.164349 -0.080082 -0.079768 0.056109 -0.148093 7C 1dxy 0.066412 0.106695 -0.036013 -0.114953 0.001276 0.088820 7C 2dz2 -0.337907 0.464835 -0.347134 -0.185087 -0.081829 -0.308982 7C 2dxz -0.282874 0.080277 -0.211343 0.052800 0.398582 -1.693412 7C 2dyz -0.097044 0.302089 -0.205318 -0.486979 0.022270 -0.353197 7C 2dx2y2 0.000985 -0.802745 0.313079 0.353002 -0.261728 1.123558 7C 2dxy 0.236408 -0.187905 0.190337 -0.092056 0.099252 -0.248018 7C 1f0 -0.113335 -0.212147 -0.002058 0.103658 0.007663 0.043276 7C 1f+1 0.045534 0.051752 0.075753 -0.019564 -0.062648 0.224473 7C 1f-1 0.124098 -0.011698 -0.066681 -0.165563 -0.027523 0.090872 7C 1f+2 0.059762 -0.067289 -0.027602 0.083054 0.044835 -0.100162 7C 1f-2 -0.012881 -0.096533 -0.003264 0.059700 -0.026885 -0.162936 7C 1f+3 -0.195202 0.018048 -0.094195 0.078796 0.013670 -0.042432 7C 1f-3 0.142455 -0.247518 0.069518 -0.006928 0.008452 0.114822 8C 1s 0.003477 0.001927 0.007300 -0.009114 -0.000742 0.001116 8C 2s 0.009507 0.006212 0.021898 -0.028091 -0.000903 0.004333 8C 3s 0.226639 -0.034005 -0.078240 -0.065718 0.041427 -0.142497 8C 4s -1.288394 -0.187793 -0.885691 1.491472 0.748678 0.685520 8C 5s -0.750682 -0.490580 -0.270606 0.097176 0.039677 -0.939562 8C 1pz -0.031771 0.027692 0.035202 -0.050049 0.031035 0.018989 8C 1px -0.013837 -0.022476 0.047542 0.036473 -0.162864 -0.049539 8C 1py 0.078402 -0.017796 -0.053597 -0.004293 0.038999 -0.053741 8C 2pz 0.289151 -0.018968 0.073629 0.163764 -1.024727 -0.359738 8C 2px -0.075501 0.210907 -0.510258 -0.172151 0.388162 0.205914 8C 2py -0.644205 -0.074391 -0.719160 0.951472 0.446251 0.513306 8C 3pz 0.137639 0.123912 0.216344 -0.136454 -0.083001 0.046231 8C 3px 0.106133 0.043463 -0.007170 -0.062937 0.103051 0.227589 8C 3py -0.346206 -0.124741 -0.131494 0.183294 0.009872 -0.119799 8C 1dz2 -0.004556 0.023490 0.129287 -0.049981 -0.127676 0.002268 8C 1dxz 0.024469 -0.005758 0.021137 0.013401 -0.195276 -0.098420 8C 1dyz -0.099051 -0.031763 -0.010993 0.119860 -0.114550 0.004812 8C 1dx2y2 -0.072312 0.022618 -0.081091 0.057746 -0.112564 -0.014991 8C 1dxy -0.010780 -0.009070 0.107228 -0.003817 -0.062189 -0.022954 8C 2dz2 0.102175 0.040266 0.042157 -0.354504 0.426873 -0.002522 8C 2dxz -0.033034 -0.072795 -0.199426 0.106065 0.482675 0.156691 8C 2dyz 0.347625 -0.017203 -0.011513 -0.276865 0.060931 -0.210781 8C 2dx2y2 0.210825 -0.023577 0.424498 -0.217786 -0.403600 -0.222382 8C 2dxy -0.039225 0.153253 -0.154781 -0.171897 0.158909 0.148715 8C 1f0 -0.080448 0.050515 -0.097080 0.169198 -0.109422 0.012477 8C 1f+1 0.161306 -0.229996 0.047976 0.036779 -0.091827 -0.064529 8C 1f-1 -0.017041 -0.048312 -0.078963 0.115694 0.043566 0.017126 8C 1f+2 -0.067591 0.069476 0.016020 0.015133 0.063082 0.046212 8C 1f-2 0.025479 -0.183578 -0.198595 0.236049 -0.090219 -0.054724 8C 1f+3 0.032964 -0.033228 -0.102643 0.030983 -0.124718 -0.062195 8C 1f-3 -0.002326 -0.082507 -0.039104 0.027081 0.048212 0.012420 9C 1s 0.002895 0.003087 -0.001702 -0.006217 -0.000688 -0.005421 9C 2s 0.008931 0.009401 -0.004807 -0.018889 -0.001858 -0.014440 9C 3s -0.058163 -0.063387 -0.141393 -0.118733 -0.051579 0.030984 9C 4s 0.252411 -0.469482 1.028978 1.326072 0.130527 1.124330 9C 5s -0.362604 -0.045511 0.575205 -0.168238 0.255688 0.510389 9C 1pz 0.017448 0.036240 0.035658 0.020068 0.006754 -0.004998 9C 1px -0.021695 0.011765 0.024807 0.030959 0.040916 -0.151962 9C 1py -0.003165 0.043653 0.020400 0.004441 0.026438 -0.073486 9C 2pz -0.183570 0.507868 -0.546389 -0.763545 0.031204 -0.777222 9C 2px 0.105200 -0.063085 -0.115557 -0.375062 -0.177382 0.859265 9C 2py -0.432969 -0.101530 -0.452492 -0.114329 -0.057716 -0.346554 9C 3pz 0.048538 0.032812 -0.219192 -0.028947 -0.096179 -0.285171 9C 3px 0.068887 -0.074211 0.017374 -0.093288 -0.004184 0.183862 9C 3py 0.097923 0.098714 -0.184173 -0.129816 -0.047708 -0.031169 9C 1dz2 0.075327 -0.000683 -0.016948 -0.063104 -0.032857 0.072254 9C 1dxz 0.003456 -0.029033 0.043642 -0.002857 -0.001289 0.015326 9C 1dyz 0.012631 -0.038529 -0.072857 -0.085084 -0.041801 0.126163 9C 1dx2y2 0.044163 -0.039587 0.051741 -0.003985 -0.037503 0.224899 9C 1dxy -0.038939 -0.068059 0.017704 0.021429 0.004849 -0.000055 9C 2dz2 -0.027900 -0.213245 0.130123 0.298585 -0.026504 0.302517 9C 2dxz 0.049152 -0.159831 0.087455 0.110404 0.007893 -0.014229 9C 2dyz 0.101338 0.092974 0.290144 0.316213 0.103523 -0.167367 9C 2dx2y2 -0.204021 0.181979 -0.141807 0.055055 0.108826 -0.721582 9C 2dxy -0.017778 -0.016560 0.047890 0.184085 0.055903 -0.236438 9C 1f0 0.018157 0.022731 -0.008684 -0.029041 0.013691 0.024855 9C 1f+1 -0.204934 0.129625 -0.083963 0.054749 -0.033674 -0.020662 9C 1f-1 0.031936 -0.097493 -0.053923 -0.125715 0.024230 -0.040728 9C 1f+2 0.131673 -0.325491 0.052520 0.115542 0.063436 0.046545 9C 1f-2 0.162077 -0.133798 0.026714 -0.026390 0.001206 0.026435 9C 1f+3 -0.031534 0.207049 -0.019624 -0.117657 -0.050846 0.090631 9C 1f-3 0.272918 -0.347326 -0.000607 -0.030906 0.088170 -0.107083 10H 1s -0.058024 0.021497 0.006319 -0.020438 0.039959 -0.140043 10H 2s -0.032999 0.267525 -0.035111 -0.208390 0.114383 -0.619324 10H 3s 0.012781 0.007659 -0.059495 0.033423 0.028923 -0.092617 10H 1pz 0.051867 0.145354 -0.049649 -0.084318 0.002307 -0.176779 10H 1px 0.061538 -0.031885 -0.017822 0.061564 -0.019353 -0.007270 10H 1py -0.074694 -0.084208 0.038729 -0.003767 0.045718 -0.093067 11H 1s -0.010572 -0.064033 -0.047776 0.009608 -0.017825 0.035453 11H 2s 0.311943 0.062216 0.094825 0.138183 0.016154 0.366418 11H 3s -0.065615 -0.036369 0.008219 -0.007493 0.001011 -0.100220 11H 1pz 0.088271 -0.005104 0.058032 0.094939 0.040141 0.034148 11H 1px 0.199723 0.149027 0.008620 0.039459 -0.044714 0.201692 11H 1py 0.210781 0.123077 -0.055498 0.140608 -0.046229 0.081640 12H 1s 0.079981 0.022047 -0.012267 0.066078 -0.030680 0.164813 12H 2s -0.564271 -0.234955 0.068067 -0.281859 0.012859 0.227580 12H 3s 0.194243 0.114889 -0.012227 0.173476 -0.002869 0.060745 12H 1pz -0.103017 -0.067678 -0.024680 0.006527 -0.018191 0.112359 12H 1px -0.242493 -0.253103 0.041532 -0.074433 0.031278 0.059888 12H 1py -0.202711 0.005173 0.010174 -0.148924 0.022037 -0.031230 13H 1s -0.023236 -0.002121 -0.008510 -0.023718 -0.162660 -0.018736 13H 2s -0.017496 -0.007660 0.359004 -0.102723 -0.539122 -0.050429 13H 3s 0.016486 0.003310 -0.001882 0.066001 -0.090013 -0.117689 13H 1pz 0.024090 -0.086665 0.117892 -0.047544 -0.111166 -0.000538 13H 1px 0.051510 -0.059708 0.003594 0.030088 0.002366 -0.036963 13H 1py -0.004708 -0.062380 -0.072633 0.008887 0.132923 0.024159 14H 1s 0.022782 0.007017 0.057587 0.056526 0.162798 0.037206 14H 2s -0.021616 -0.026032 -0.531763 -0.499029 -0.209223 0.065998 14H 3s 0.024773 0.006448 0.208039 0.193615 0.121909 -0.036246 14H 1pz -0.089897 0.102287 -0.077705 -0.101028 -0.142187 0.042769 14H 1px 0.034842 -0.080620 -0.230134 -0.233983 -0.132872 -0.028423 14H 1py -0.041654 0.007572 0.135388 0.055007 -0.060153 -0.025314 15H 1s 0.063119 0.000154 -0.069126 0.025215 0.052251 -0.043157 15H 2s -0.166957 -0.007103 0.049043 0.170145 0.361244 -0.016090 15H 3s 0.050451 -0.020685 -0.027846 0.012316 -0.069210 -0.046595 15H 1pz -0.003662 0.032290 0.102731 0.167692 0.043425 -0.002609 15H 1px -0.067230 0.115727 0.101515 0.149623 0.229050 0.065376 15H 1py 0.094282 0.026516 -0.098675 -0.123360 -0.099596 -0.000230 16H 1s -0.031284 0.027641 -0.036887 0.019220 0.029878 -0.014341 16H 2s -0.218046 0.076125 0.055423 -0.378631 -0.152955 0.419413 16H 3s 0.010871 0.022670 -0.009314 0.083605 0.023529 -0.110972 16H 1pz -0.101708 0.038919 -0.007931 -0.126405 -0.034261 0.157146 16H 1px -0.010027 0.020756 -0.014297 -0.008560 0.009156 0.006957 16H 1py -0.017175 0.002340 0.002951 -0.021316 -0.012387 0.031313 17H 1s -0.015887 0.008438 -0.030472 0.016204 0.039031 0.023456 17H 2s -0.233779 0.153271 -0.023486 -0.329079 -0.132050 0.257738 17H 3s 0.066338 -0.030939 0.012290 0.053123 0.031450 -0.007127 17H 1pz 0.088636 -0.061091 0.026587 0.086514 0.016106 -0.081490 17H 1px 0.046630 -0.024684 0.015433 0.063612 0.015007 -0.060311 17H 1py -0.033828 0.020232 -0.018525 -0.027647 0.005856 0.031618 18H 1s 0.016581 -0.009689 0.029857 0.019697 -0.037588 -0.017908 18H 2s 0.117609 -0.137255 0.044763 -0.315084 0.113165 -0.273092 18H 3s -0.031191 0.028636 -0.018366 0.049140 -0.029466 0.009516 18H 1pz 0.056268 -0.057809 0.032738 -0.080981 0.012322 -0.083948 18H 1px 0.021041 -0.020960 0.019441 -0.060201 0.011349 -0.063675 18H 1py -0.011603 0.016747 -0.020909 0.021806 0.008072 0.031473 19H 1s 0.027844 -0.027912 0.035895 0.023200 -0.027660 0.010271 19H 2s 0.178152 -0.068380 -0.037457 -0.367683 0.127592 -0.400705 19H 3s -0.043968 -0.019819 0.010177 0.081110 -0.021214 0.108435 19H 1pz -0.084010 0.036196 -0.014300 0.118521 -0.025626 0.150357 19H 1px -0.017010 0.021349 -0.013514 0.006020 0.008698 0.006773 19H 1py -0.021564 0.003175 0.002406 0.023869 -0.011484 0.033422 20H 1s -0.080719 0.001208 0.068653 0.024501 -0.048797 0.038113 20H 2s 0.123235 0.008961 -0.052318 0.191161 -0.351927 -0.015859 20H 3s -0.054970 0.020290 0.027450 0.004981 0.070479 0.056651 20H 1pz 0.082538 0.025309 0.098504 -0.165439 0.036602 0.001439 20H 1px -0.035324 0.114695 0.108391 -0.159948 0.221005 0.083361 20H 1py 0.027352 0.033071 -0.093987 0.128031 -0.093274 -0.009464 21H 1s -0.021707 -0.005920 -0.059895 0.059394 -0.157485 -0.053383 21H 2s 0.292181 0.005805 0.529630 -0.484438 0.174582 -0.068081 21H 3s -0.039887 -0.002916 -0.216644 0.188985 -0.110198 0.027424 21H 1pz -0.169376 0.110752 -0.072489 0.095832 -0.132092 0.030427 21H 1px -0.065645 -0.074175 -0.234109 0.233321 -0.117198 -0.036526 21H 1py -0.001466 0.005574 0.135975 -0.049918 -0.061808 -0.042216 22H 1s 0.029495 0.000867 0.008140 -0.026972 0.158296 0.032627 22H 2s 0.095484 -0.002547 -0.364295 -0.133097 0.533224 0.140517 22H 3s -0.013687 -0.003543 -0.003567 0.060078 0.089976 0.127322 22H 1pz 0.007913 -0.087789 0.112614 0.058407 -0.109334 -0.020513 22H 1px 0.085830 -0.063644 0.000182 -0.025922 0.000978 -0.028788 22H 1py 0.017994 -0.067575 -0.079690 -0.015912 0.132347 0.049738 23H 1s -0.071650 -0.022383 0.012470 0.061539 0.031904 -0.147110 23H 2s 0.224193 0.266296 -0.039385 -0.254142 -0.011511 -0.224030 23H 3s -0.087095 -0.122379 -0.001625 0.165098 0.006739 -0.053442 23H 1pz -0.002520 -0.078057 -0.033769 -0.010105 -0.018077 0.096116 23H 1px 0.088919 -0.289129 0.013068 0.066751 0.032232 0.061433 23H 1py -0.183508 0.002757 0.008068 0.136106 0.021666 -0.016199 24H 1s 0.021324 0.063081 0.046703 0.010427 0.017002 -0.030544 24H 2s -0.099369 -0.088417 -0.118180 0.134182 -0.009613 -0.339681 24H 3s 0.074617 0.038325 -0.011166 -0.008951 -0.001217 0.091945 24H 1pz 0.126345 -0.011500 0.058117 -0.090679 0.037331 0.031019 24H 1px -0.049434 0.176889 0.030528 -0.035457 -0.045838 0.182582 24H 1py 0.008782 0.143191 -0.036280 -0.132075 -0.049757 0.069584 25H 1s 0.041044 -0.021927 -0.005558 -0.015936 -0.039455 0.125101 25H 2s 0.172547 -0.279360 0.026410 -0.203862 -0.117446 0.532807 25H 3s 0.046195 -0.012827 0.050561 0.036297 -0.025777 0.080799 25H 1pz -0.156101 0.168316 -0.033790 0.083123 0.003848 -0.151970 25H 1px -0.001752 -0.022889 -0.011325 -0.058842 -0.020731 -0.017977 25H 1py 0.144021 -0.110504 0.020500 0.004923 0.045804 -0.079902 26O 1s 0.024386 -0.014224 0.021998 -0.019700 -0.018665 0.005317 26O 2s 0.084755 -0.052654 0.076067 -0.068370 -0.065244 0.024099 26O 3s -0.645469 0.502315 -0.597607 0.513271 0.500773 -0.328412 26O 4s 1.331662 -1.523808 1.281112 -1.020328 -0.950679 1.237706 26O 5s -1.555483 0.289793 -0.420327 1.019968 1.069097 -0.378080 26O 1pz 0.082433 -0.041588 -0.088106 0.061349 -0.047858 0.258018 26O 1px -0.002720 0.118831 0.031534 0.063187 0.089158 -0.309899 26O 1py -0.061649 0.030671 -0.101660 -0.038359 0.021712 0.041534 26O 2pz -0.196783 0.148361 0.126549 -0.143857 0.118591 -0.714281 26O 2px -0.069247 0.174994 -0.228309 -0.160502 -0.191564 0.259457 26O 2py 0.177145 0.143595 0.153814 0.107827 -0.033247 -0.331491 26O 3pz -0.003935 0.063858 -0.258848 0.340428 0.174503 -0.187219 26O 3px 0.352250 0.010939 -0.104196 0.329100 -0.015108 -0.364194 26O 3py 0.161465 0.177928 -0.239330 0.262221 0.071967 -0.265098 26O 1dz2 -0.005537 -0.003083 -0.000411 0.002549 0.000559 0.007706 26O 1dxz 0.001564 -0.008963 0.001584 -0.000045 0.000251 0.005202 26O 1dyz -0.002881 0.000331 -0.003827 0.005852 0.003011 -0.000738 26O 1dx2y2 0.001029 0.009406 0.000741 -0.005057 0.002425 -0.019505 26O 1dxy 0.003392 -0.000176 0.006100 0.000497 -0.004019 -0.008269 26O 2dz2 -0.004381 -0.027071 -0.012196 0.003271 -0.034102 0.048634 26O 2dxz 0.165894 -0.102734 0.012175 0.049264 -0.072740 0.226389 26O 2dyz 0.018653 -0.011887 -0.025744 0.043215 -0.039617 0.158183 26O 2dx2y2 0.029847 0.042333 0.067237 0.097373 0.083678 -0.135901 26O 2dxy -0.130702 -0.037749 -0.043566 -0.074458 -0.005828 0.029826 26O 1f0 -0.032199 -0.014106 0.007641 -0.010320 0.002051 0.008822 26O 1f+1 0.000902 -0.013658 -0.000035 0.005886 -0.002425 0.019575 26O 1f-1 -0.003034 -0.004674 -0.000676 0.002004 0.002305 0.008517 26O 1f+2 0.020484 -0.004524 -0.003534 0.005858 -0.006245 -0.025092 26O 1f-2 -0.007273 0.003776 -0.008027 -0.003404 -0.002570 -0.001924 26O 1f+3 0.007742 -0.003367 -0.012013 -0.005461 0.003472 -0.007327 26O 1f-3 0.000027 -0.024429 0.010044 0.001865 -0.007040 0.048443 27O 1s 0.003752 -0.004093 -0.010340 0.002531 0.026263 -0.000386 27O 2s 0.014560 -0.015624 -0.038807 0.008656 0.095156 -0.002014 27O 3s -0.168488 0.193444 0.369322 -0.040236 -0.827056 0.047792 27O 4s 0.691666 -0.818150 -1.087725 -0.204076 2.038335 -0.316651 27O 5s 0.206926 -0.701881 0.483464 -0.598191 -1.749499 -0.538301 27O 1pz 0.055914 0.070539 -0.207886 -0.095157 0.124809 -0.016384 27O 1px -0.018481 0.000361 0.131982 -0.081311 -0.278848 -0.060913 27O 1py -0.089239 0.006921 0.025144 0.018256 -0.217265 0.030221 27O 2pz -0.086607 -0.185095 0.534021 0.229141 -0.259124 0.020685 27O 2px -0.248462 0.396032 0.006160 0.313396 0.264207 0.345572 27O 2py 0.231322 -0.112403 -0.103303 -0.046859 0.648158 -0.090077 27O 3pz 0.069188 0.022669 0.198236 -0.080646 -0.215862 -0.156525 27O 3px 0.083692 0.305589 0.149073 0.165621 -0.022507 -0.232231 27O 3py -0.166528 -0.003671 -0.157669 -0.035905 0.233751 0.377095 27O 1dz2 -0.004239 0.002596 -0.007022 0.005717 0.006292 -0.000053 27O 1dxz 0.005626 -0.006512 -0.003618 -0.003928 0.013152 -0.000124 27O 1dyz 0.002447 0.000221 -0.005908 -0.004779 0.003576 0.000423 27O 1dx2y2 -0.001962 0.001983 0.009233 -0.000778 -0.008239 -0.000885 27O 1dxy -0.004137 0.001641 0.008767 0.005540 -0.000751 0.007613 27O 2dz2 -0.013389 0.034542 0.010174 0.012872 0.060406 0.023890 27O 2dxz 0.057977 0.065411 -0.287831 -0.104883 0.071872 -0.032152 27O 2dyz 0.008278 -0.029230 0.038969 -0.006791 0.006070 -0.008497 27O 2dx2y2 -0.038495 -0.024163 0.003092 -0.045177 -0.170531 -0.009281 27O 2dxy -0.094122 0.051628 -0.041744 -0.085957 -0.301730 0.039619 27O 1f0 -0.005041 -0.001273 -0.000502 0.000449 0.015601 0.007982 27O 1f+1 0.017017 -0.012890 -0.023129 -0.014564 0.031468 -0.001394 27O 1f-1 0.002872 -0.003060 -0.005003 -0.005744 -0.011206 -0.000232 27O 1f+2 0.006977 0.004277 -0.001858 0.007498 -0.003022 -0.019700 27O 1f-2 0.007797 -0.006112 0.007327 0.005794 -0.000482 -0.011971 27O 1f+3 0.015083 -0.015787 0.004098 0.012942 0.023484 -0.006636 27O 1f-3 0.011001 0.007041 0.028426 0.013476 -0.005999 -0.007266 28O 1s -0.016299 -0.008388 0.007552 0.013526 0.006698 0.020406 28O 2s -0.052348 -0.030287 0.026141 0.048352 0.021552 0.076361 28O 3s 0.321482 0.263327 -0.226854 -0.389461 -0.106046 -0.778516 28O 4s -0.393661 -0.744945 0.593749 0.781783 -0.164742 2.784258 28O 5s 0.489349 0.690205 0.033792 -0.929566 -0.493809 -0.013435 28O 1pz -0.173080 -0.169597 -0.033845 -0.140245 -0.027552 0.059654 28O 1px 0.045958 -0.160431 0.002648 -0.005924 -0.010297 0.009335 28O 1py 0.187586 0.020004 -0.059181 0.024440 -0.036313 0.100205 28O 2pz 0.277566 0.471208 -0.054724 0.267264 0.202531 -0.703063 28O 2px 0.047619 0.303530 0.093198 0.075030 -0.165352 0.674022 28O 2py -0.475610 -0.056458 0.092228 -0.071403 0.096880 -0.356683 28O 3pz -0.435401 0.049891 -0.352587 -0.174265 0.195297 -0.310380 28O 3px 0.154773 -0.002823 0.206707 -0.214624 -0.105293 0.114580 28O 3py -0.110645 0.171019 -0.205932 -0.028968 0.012351 -0.144958 28O 1dz2 0.002485 0.003158 -0.000750 -0.005272 -0.001932 0.005763 28O 1dxz 0.007889 -0.002071 0.001401 0.000384 -0.000324 -0.011583 28O 1dyz -0.006494 0.000564 0.000857 -0.007763 0.000769 -0.011312 28O 1dx2y2 -0.013436 -0.002958 0.001643 -0.003328 -0.000041 -0.006231 28O 1dxy 0.012091 0.009353 -0.001182 0.005782 0.002441 -0.002343 28O 2dz2 -0.181574 -0.229800 -0.014985 -0.088470 0.024018 -0.000553 28O 2dxz 0.017246 0.038267 -0.014994 0.013757 0.034617 -0.115655 28O 2dyz 0.215993 0.106727 -0.016176 0.060474 0.002575 0.004514 28O 2dx2y2 0.065511 0.115562 0.039021 0.005885 -0.026835 -0.027712 28O 2dxy -0.259926 -0.089605 0.019586 -0.120641 0.042005 -0.235335 28O 1f0 -0.002534 -0.009081 0.002365 0.003799 -0.002204 0.000939 28O 1f+1 0.047544 0.014198 0.022382 0.011102 -0.007047 0.016686 28O 1f-1 0.008036 0.010175 0.005422 -0.001596 0.003850 -0.034349 28O 1f+2 -0.013163 0.000924 -0.001978 -0.003861 0.007863 -0.024649 28O 1f-2 -0.033547 -0.023388 0.010705 -0.028483 -0.005355 -0.004761 28O 1f+3 0.011299 0.010359 0.006821 -0.003644 0.006427 -0.032224 28O 1f-3 -0.034748 -0.020171 0.011662 -0.034075 0.002587 -0.033715 29O 1s -0.011979 0.009582 -0.001171 -0.011071 -0.005030 0.016132 29O 2s -0.039987 0.032239 -0.003396 -0.037277 -0.017594 0.054019 29O 3s 0.259127 -0.217738 0.015134 0.241491 0.126276 -0.356016 29O 4s -0.438898 0.352073 -0.023758 -0.442939 -0.229241 0.603120 29O 5s 0.898199 -0.502785 0.087947 1.116345 0.422882 -1.209174 29O 1pz 0.038365 -0.030291 0.008487 0.026297 0.002404 -0.054916 29O 1px -0.096022 0.096042 -0.031800 -0.048811 -0.003014 0.104267 29O 1py 0.040812 -0.015538 0.016427 0.026656 0.004893 -0.040952 29O 2pz -0.105623 0.055619 -0.003395 -0.103054 -0.030841 0.181883 29O 2px 0.251194 -0.217391 0.076684 0.178717 0.026414 -0.279747 29O 2py -0.154055 0.064764 -0.051627 -0.135957 -0.025182 0.178205 29O 3pz 0.088301 -0.073699 0.063409 0.053679 0.026738 -0.048060 29O 3px -0.260278 0.137577 -0.050382 -0.279433 -0.072386 0.348253 29O 3py -0.095594 0.085909 0.076216 -0.259648 -0.144293 0.149983 29O 1dz2 -0.001549 -0.001247 0.000137 -0.002127 0.000147 0.003788 29O 1dxz -0.002039 0.000831 -0.002301 -0.001459 -0.000553 -0.001215 29O 1dyz 0.000135 -0.000750 0.001834 -0.001945 -0.002539 0.001634 29O 1dx2y2 0.001120 0.001950 -0.000648 0.003600 0.001487 -0.003066 29O 1dxy 0.000160 -0.001146 -0.002005 0.003112 0.002372 0.001604 29O 2dz2 0.033451 -0.019087 0.007574 0.025607 0.009189 -0.038889 29O 2dxz 0.016239 -0.010642 0.002720 0.011059 -0.006526 -0.034459 29O 2dyz 0.021739 -0.005741 0.000702 0.015185 -0.000256 -0.033143 29O 2dx2y2 -0.009562 0.018018 -0.002454 0.004393 -0.001314 0.004265 29O 2dxy -0.060398 0.038852 -0.037872 -0.035753 0.015212 0.067455 29O 1f0 -0.001295 0.001187 0.002760 -0.006185 -0.004651 0.004872 29O 1f+1 0.002592 -0.001863 -0.000609 0.003677 0.002732 -0.001530 29O 1f-1 0.002067 -0.002393 0.005722 -0.005045 -0.006448 0.002497 29O 1f+2 0.000509 -0.000977 -0.000924 0.001588 0.000829 -0.004926 29O 1f-2 -0.000189 0.000349 0.003183 -0.004257 -0.004955 -0.000791 29O 1f+3 0.000318 -0.002260 0.001021 -0.003379 -0.001531 0.002568 29O 1f-3 -0.000170 0.001262 -0.001454 0.002963 0.001737 -0.002742 30O 1s -0.009736 -0.005084 -0.018052 -0.017512 0.008990 0.025361 30O 2s -0.033098 -0.017033 -0.064096 -0.060057 0.038895 0.087750 30O 3s 0.253541 0.108596 0.568269 0.450508 -0.520321 -0.676085 30O 4s -0.525540 -0.067900 -1.695795 -0.925460 2.283761 1.401236 30O 5s 0.117207 0.349162 0.477152 1.010203 0.363088 -1.133690 30O 1pz 0.057016 0.011149 0.072914 0.086955 0.076795 -0.092250 30O 1px 0.154495 -0.057860 -0.075360 -0.092869 0.094460 -0.115419 30O 1py -0.174062 0.085508 0.194745 0.120599 0.050972 0.152527 30O 2pz -0.074908 -0.092822 0.026827 -0.195836 -0.670212 0.141309 30O 2px -0.411490 0.231687 -0.123944 0.220367 0.418840 0.344458 30O 2py 0.314135 -0.153958 -0.671335 -0.286793 0.360076 -0.294957 30O 3pz 0.024499 0.128096 0.070926 0.341338 -0.473062 0.010725 30O 3px 0.069952 0.006539 -0.001665 -0.043950 0.235704 -0.317938 30O 3py -0.108446 -0.086824 0.054950 -0.233526 0.568785 0.116852 30O 1dz2 0.003572 -0.001227 -0.005791 -0.003246 -0.000523 -0.000390 30O 1dxz 0.000032 0.004571 0.008720 0.005976 0.011543 -0.005665 30O 1dyz 0.000861 -0.002162 0.001656 0.000368 0.010451 -0.001611 30O 1dx2y2 -0.000917 0.000119 0.004396 0.002922 -0.003243 0.000576 30O 1dxy -0.001126 0.001203 -0.000612 0.001915 0.010415 0.006548 30O 2dz2 0.021326 0.035376 0.124319 0.122137 0.224049 0.023570 30O 2dxz 0.045085 -0.046259 -0.154058 -0.142656 -0.191750 -0.031723 30O 2dyz -0.036941 0.002694 0.002174 -0.018360 -0.043696 0.043629 30O 2dx2y2 -0.116910 0.072417 0.185260 0.131951 -0.021156 0.061236 30O 2dxy 0.004840 -0.015442 -0.168338 -0.082301 0.046904 -0.013988 30O 1f0 0.004963 0.001278 -0.020130 0.001052 0.036783 0.004367 30O 1f+1 0.006501 -0.009896 -0.040022 -0.046718 -0.045522 -0.006045 30O 1f-1 0.004095 -0.006445 -0.013575 -0.014778 -0.001225 0.004386 30O 1f+2 -0.006123 -0.002722 0.024788 0.019215 0.013609 0.006269 30O 1f-2 0.006009 -0.004659 0.021034 0.007259 -0.029790 -0.001559 30O 1f+3 -0.007555 -0.004955 0.017861 -0.001366 0.001696 0.001251 30O 1f-3 0.002671 -0.001620 -0.017210 -0.019202 -0.025232 0.002798 31O 1s 0.001357 0.006033 0.019729 -0.015663 -0.009459 -0.028921 31O 2s 0.002980 0.020436 0.069878 -0.053393 -0.040345 -0.101259 31O 3s -0.027829 -0.134722 -0.608637 0.388841 0.527748 0.812822 31O 4s 0.165501 0.115234 1.754673 -0.733293 -2.282508 -1.861255 31O 5s 0.897315 -0.450905 -0.614065 0.988588 -0.341216 1.352476 31O 1pz 0.021768 0.016432 0.083043 -0.086298 0.072865 -0.088589 31O 1px 0.190389 -0.060825 -0.072031 0.099365 0.094495 -0.092985 31O 1py -0.069938 0.077105 0.187089 -0.127075 0.045175 0.148261 31O 2pz 0.035671 -0.106557 -0.005353 0.223190 -0.654656 0.064223 31O 2px -0.527042 0.239570 -0.119780 -0.273803 0.409184 0.385788 31O 2py 0.064838 -0.134957 -0.647743 0.271697 0.367278 -0.215525 31O 3pz -0.127236 0.143309 0.093851 -0.331397 -0.482491 -0.011530 31O 3px -0.056515 0.019217 0.014374 0.048751 0.239612 -0.360949 31O 3py 0.111553 -0.109268 0.032451 0.217792 0.570887 0.170056 31O 1dz2 -0.003301 0.001267 0.005829 -0.003317 0.000548 -0.000668 31O 1dxz -0.002036 -0.004391 -0.009258 0.006041 -0.010977 0.004226 31O 1dyz -0.006896 0.002748 -0.001059 0.000431 -0.010137 -0.000470 31O 1dx2y2 -0.000358 0.000088 -0.003901 0.002724 0.003186 0.000148 31O 1dxy 0.003394 -0.001376 0.000538 0.002655 -0.010228 -0.007380 31O 2dz2 -0.067163 -0.033136 -0.130816 0.127375 -0.215124 -0.049361 31O 2dxz -0.015504 0.044841 0.158006 -0.147890 0.183157 0.041912 31O 2dyz 0.024898 -0.000564 0.005191 -0.017218 0.043054 -0.043261 31O 2dx2y2 0.108299 -0.072518 -0.184470 0.133500 0.025190 -0.042024 31O 2dxy 0.026727 0.014381 0.170395 -0.076647 -0.049856 -0.002653 31O 1f0 0.000744 0.001618 -0.019177 -0.003021 0.036309 0.009846 31O 1f+1 -0.009524 -0.008322 -0.040393 0.047723 -0.042690 -0.009936 31O 1f-1 0.001674 -0.006447 -0.014445 0.014829 -0.000638 0.004709 31O 1f+2 0.000737 -0.003269 0.024445 -0.019219 0.012554 0.005367 31O 1f-2 0.008117 -0.004856 0.020727 -0.005248 -0.029852 -0.004924 31O 1f+3 -0.009060 -0.004615 0.018369 0.001456 0.001935 -0.001064 31O 1f-3 -0.004762 -0.000816 -0.017829 0.019572 -0.023786 -0.000200 32O 1s 0.010934 -0.009385 0.001591 -0.010161 0.004405 -0.016163 32O 2s 0.036675 -0.031601 0.004798 -0.034259 0.015500 -0.054150 32O 3s -0.244062 0.214437 -0.023620 0.221937 -0.112988 0.357436 32O 4s 0.403511 -0.346911 0.040870 -0.409831 0.206680 -0.605640 32O 5s -0.669902 0.475788 -0.148018 1.052897 -0.364167 1.206662 32O 1pz 0.040187 -0.029567 0.007622 -0.022118 0.001966 -0.056017 32O 1px -0.099002 0.096395 -0.032729 0.040005 -0.000629 0.103292 32O 1py 0.029222 -0.015066 0.018224 -0.023322 0.004464 -0.040261 32O 2pz -0.115061 0.053628 -0.002565 0.091201 -0.025414 0.174168 32O 2px 0.226893 -0.214718 0.084386 -0.157890 0.017624 -0.280941 32O 2py -0.108328 0.060266 -0.059644 0.124222 -0.019570 0.178036 32O 3pz 0.053827 -0.070607 0.065200 -0.048105 0.028959 -0.063320 32O 3px -0.230031 0.135991 -0.064060 0.256218 -0.059882 0.342465 32O 3py -0.034651 0.076329 0.061876 0.260928 -0.128728 0.149396 32O 1dz2 0.001695 0.001167 -0.000020 -0.001988 -0.000234 -0.003484 32O 1dxz 0.000051 -0.000654 0.002498 -0.001326 0.000571 0.001052 32O 1dyz -0.000098 0.000806 -0.001777 -0.002090 0.002393 -0.001563 32O 1dx2y2 -0.000352 -0.002019 0.000349 0.003544 -0.001276 0.003121 32O 1dxy 0.001624 0.000934 0.001733 0.003343 -0.002233 -0.001793 32O 2dz2 -0.028854 0.017980 -0.008714 0.022635 -0.006528 0.037382 32O 2dxz -0.007146 0.010331 -0.004883 0.009917 0.007993 0.035135 32O 2dyz -0.031571 0.006914 -0.000983 0.014080 0.001624 0.031346 32O 2dx2y2 0.011852 -0.017322 0.000998 0.005096 0.001412 -0.003759 32O 2dxy 0.049712 -0.037459 0.039439 -0.029046 -0.016700 -0.068427 32O 1f0 -0.000056 0.001040 0.002084 0.005857 -0.003794 0.004699 32O 1f+1 0.001317 -0.001684 -0.000488 -0.003868 0.002660 -0.001574 32O 1f-1 0.002792 -0.002597 0.005462 0.005880 -0.006161 0.002066 32O 1f+2 0.001986 -0.000948 -0.001340 -0.001898 0.001048 -0.004871 32O 1f-2 0.000190 0.000131 0.002953 0.004256 -0.004564 -0.000144 32O 1f+3 0.001071 -0.002369 0.000859 0.003619 -0.001451 0.002309 32O 1f-3 0.000470 0.001284 -0.001404 -0.002857 0.001454 -0.003401 33O 1s -0.010024 0.010144 -0.005409 0.014164 -0.006112 -0.017856 33O 2s -0.036144 0.036234 -0.018959 0.050344 -0.019571 -0.066380 33O 3s 0.296182 -0.305784 0.177032 -0.399920 0.092604 0.668636 33O 4s -0.683385 0.822423 -0.502289 0.784980 0.177909 -2.371645 33O 5s 0.640566 -0.761433 -0.132302 -0.953448 0.470645 -0.137165 33O 1pz -0.033446 -0.179035 -0.049359 0.131512 -0.023041 0.055996 33O 1px 0.017319 -0.157580 0.006132 0.007863 -0.009089 -0.006529 33O 1py 0.005852 0.044514 -0.044011 -0.021482 -0.036309 0.086236 33O 2pz 0.043867 0.490828 -0.027884 -0.255696 0.188991 -0.609441 33O 2px -0.011426 0.303384 0.096204 -0.070105 -0.163207 0.605215 33O 2py -0.022509 -0.115846 0.053877 0.062149 0.097691 -0.309985 33O 3pz -0.189563 0.034729 -0.378647 0.134290 0.202608 -0.271863 33O 3px 0.011329 0.005650 0.220684 0.233268 -0.100741 0.140873 33O 3py -0.180357 0.183198 -0.200068 0.011949 0.011543 -0.114215 33O 1dz2 0.004997 -0.004092 0.000198 -0.005064 0.001669 -0.005239 33O 1dxz 0.002604 0.001671 -0.002509 -0.000114 0.000215 0.012001 33O 1dyz 0.009104 -0.000642 -0.001151 -0.007282 -0.000960 0.009279 33O 1dx2y2 0.000472 0.004066 -0.000521 -0.003006 0.000072 0.004632 33O 1dxy -0.002184 -0.010282 0.000174 0.005417 -0.002188 0.001830 33O 2dz2 0.026214 0.248260 0.027518 -0.079522 -0.026564 0.003112 33O 2dxz -0.018099 -0.041732 0.015296 0.014021 -0.033867 0.102716 33O 2dyz 0.015801 -0.132013 -0.006692 0.055801 0.000149 -0.006607 33O 2dx2y2 -0.002625 -0.117969 -0.044610 -0.000333 0.026255 0.020008 33O 2dxy 0.061319 0.115065 -0.001627 -0.112878 -0.044481 0.203206 33O 1f0 0.005939 -0.010746 0.001972 -0.003545 -0.002103 -0.000115 33O 1f+1 0.019190 0.016924 0.025003 -0.008638 -0.007190 0.014471 33O 1f-1 -0.002332 0.010940 0.006553 0.002019 0.003791 -0.031523 33O 1f+2 0.004288 -0.000686 -0.003735 0.003435 0.007709 -0.020074 33O 1f-2 -0.010349 -0.026217 0.008221 0.027832 -0.004557 -0.003694 33O 1f+3 0.004006 0.010860 0.007534 0.004386 0.006390 -0.027750 33O 1f-3 -0.021607 -0.021639 0.010165 0.032976 0.003195 -0.029918 34O 1s 0.002697 0.003287 0.009327 0.003744 -0.026147 0.000286 34O 2s 0.007399 0.012859 0.035327 0.013004 -0.094706 0.000896 34O 3s 0.003839 -0.172606 -0.343528 -0.074887 0.823196 -0.019883 34O 4s -0.381643 0.778113 1.040274 -0.139565 -2.034795 0.169160 34O 5s -0.215616 0.713247 -0.440831 -0.713689 1.707048 0.671895 34O 1pz -0.003243 0.076249 -0.199909 0.086380 0.126131 0.011242 34O 1px -0.017541 0.000115 0.130505 0.098099 -0.271861 -0.093664 34O 1py -0.091646 0.009371 0.017993 -0.015061 -0.211203 -0.005461 34O 2pz 0.069313 -0.200519 0.515077 -0.204841 -0.264340 -0.040952 34O 2px -0.227856 0.393831 0.009653 -0.351686 0.247624 0.357788 34O 2py 0.234443 -0.117912 -0.089183 0.035574 0.633044 0.010795 34O 3pz 0.049840 0.022904 0.199470 0.104724 -0.209322 -0.191611 34O 3px 0.151510 0.295137 0.157116 -0.150870 -0.027199 -0.229778 34O 3py -0.155009 -0.001299 -0.168691 0.003487 0.233292 0.417090 34O 1dz2 0.001200 -0.002329 0.007164 0.006417 -0.006048 -0.001352 34O 1dxz -0.005102 0.006677 0.003642 -0.003698 -0.012969 -0.002398 34O 1dyz 0.000215 -0.000512 0.005580 -0.004519 -0.003836 -0.001093 34O 1dx2y2 0.000955 -0.001945 -0.009314 -0.001442 0.008089 0.003519 34O 1dxy 0.004118 -0.001603 -0.008651 0.005633 0.000980 -0.007078 34O 2dz2 0.011705 -0.034029 -0.012535 0.016476 -0.059413 -0.029191 34O 2dxz 0.019219 -0.074434 0.278737 -0.095033 -0.077114 0.014891 34O 2dyz -0.027456 0.031369 -0.038485 -0.009134 -0.005360 0.002006 34O 2dx2y2 0.041776 0.022571 -0.000520 -0.050253 0.165787 0.021063 34O 2dxy 0.123616 -0.055955 0.044587 -0.088858 0.290734 -0.008610 34O 1f0 -0.006639 -0.001306 -0.000505 -0.001590 0.015269 0.009623 34O 1f+1 0.006424 -0.011983 -0.022280 0.013610 0.031684 0.003115 34O 1f-1 -0.000616 -0.002960 -0.004911 0.006245 -0.010895 -0.001072 34O 1f+2 0.010286 0.004196 -0.001182 -0.006550 -0.003150 -0.020091 34O 1f-2 0.013532 -0.006717 0.007484 -0.004629 -0.000817 -0.011718 34O 1f+3 0.021069 -0.016442 0.004043 -0.012448 0.022259 -0.004016 34O 1f-3 0.010824 0.007031 0.029875 -0.011531 -0.007007 -0.008693 35O 1s -0.005850 0.012876 -0.022806 -0.022036 0.017597 -0.004043 35O 2s -0.021413 0.047979 -0.078748 -0.076434 0.061506 -0.018965 35O 3s 0.205250 -0.467064 0.613812 0.574270 -0.472662 0.272058 35O 4s -0.610313 1.448937 -1.297536 -1.138495 0.897947 -1.048341 35O 5s 0.162444 -0.205262 0.478253 1.129684 -0.980885 0.161047 35O 1pz 0.052146 -0.039660 -0.084082 -0.062669 -0.046446 0.218258 35O 1px -0.008813 0.116735 0.038319 -0.063584 0.083917 -0.271617 35O 1py -0.153876 0.041938 -0.092555 0.029266 0.021417 0.032487 35O 2pz -0.191777 0.148121 0.123773 0.143572 0.115328 -0.611276 35O 2px -0.194828 0.178662 -0.229452 0.155238 -0.176493 0.220760 35O 2py 0.304812 0.117727 0.142060 -0.086403 -0.031123 -0.286657 35O 3pz -0.127023 0.071921 -0.226162 -0.357732 0.151975 -0.129699 35O 3px 0.033387 0.026832 -0.064851 -0.313660 -0.021277 -0.384832 35O 3py -0.084584 0.193098 -0.200842 -0.265332 0.058129 -0.232387 35O 1dz2 -0.003373 0.003758 0.001332 0.002803 -0.000495 -0.006763 35O 1dxz 0.000504 0.008440 -0.001768 -0.000015 -0.000155 -0.003795 35O 1dyz -0.000287 -0.000241 0.003940 0.006108 -0.002701 0.000355 35O 1dx2y2 0.009358 -0.010199 -0.001721 -0.005091 -0.002384 0.016197 35O 1dxy -0.005561 0.000670 -0.006074 -0.000226 0.004060 0.007240 35O 2dz2 -0.019959 0.031713 0.014517 0.002680 0.032961 -0.047493 35O 2dxz -0.161580 0.105117 -0.012694 0.039655 0.069256 -0.191952 35O 2dyz -0.046533 0.013618 0.027914 0.042141 0.039914 -0.148813 35O 2dx2y2 -0.153295 -0.027149 -0.060517 0.093590 -0.080373 0.114717 35O 2dxy 0.152478 0.030298 0.043151 -0.066538 0.005782 -0.027638 35O 1f0 -0.001707 -0.016628 0.004682 0.009221 0.001995 0.008967 35O 1f+1 0.008786 -0.014137 -0.000650 -0.005889 -0.002530 0.018145 35O 1f-1 0.008764 -0.005717 -0.001887 -0.002110 0.002265 0.008527 35O 1f+2 0.002502 -0.003983 -0.001415 -0.004696 -0.006088 -0.024339 35O 1f-2 -0.004167 0.003319 -0.008514 0.003016 -0.002340 -0.001852 35O 1f+3 -0.014358 -0.001082 -0.010146 0.005270 0.003406 -0.006697 35O 1f-3 0.014187 -0.024890 0.008494 -0.001554 -0.007093 0.043487 528 529 530 531 532 533 3.35724 3.38151 3.38270 3.39827 3.40020 3.42152 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s -0.000179 -0.000403 0.000568 0.000403 -0.000606 0.000059 0Rh 2s 0.002930 0.003334 -0.000938 0.001259 0.001781 -0.000163 0Rh 3s 0.000713 -0.000382 0.002812 0.003160 -0.002524 0.000254 0Rh 4s -0.015502 -0.017981 0.005522 -0.006147 -0.009891 0.000934 0Rh 5s 0.035779 0.037941 -0.000410 0.025865 0.009275 -0.001078 0Rh 6s -0.037617 -0.029796 -0.042854 -0.068550 0.041537 -0.002751 0Rh 7s 0.016202 0.008934 0.314046 0.478125 -0.073716 0.018187 0Rh 8s 0.052736 -0.053983 0.054926 0.084427 -0.043446 -0.040930 0Rh 1pz 0.001037 -0.010136 0.000383 -0.002448 0.002323 0.001683 0Rh 1px 0.001826 -0.005288 0.003905 0.005044 -0.002934 0.000166 0Rh 1py -0.000255 0.000182 0.002673 0.005245 0.008759 0.000732 0Rh 2pz -0.004076 0.039360 -0.001630 0.009006 -0.009067 -0.006636 0Rh 2px -0.006874 0.020312 -0.014460 -0.018518 0.010897 -0.000703 0Rh 2py 0.001025 -0.001047 -0.010037 -0.020317 -0.033927 -0.002967 0Rh 3pz 0.010613 -0.093646 0.006194 -0.010433 0.022297 0.018235 0Rh 3px 0.011499 -0.043148 0.018451 0.020277 -0.014604 0.003159 0Rh 3py -0.003045 0.009903 0.016515 0.046636 0.079023 0.009302 0Rh 4pz -0.013400 0.095746 -0.010625 -0.029504 -0.022577 -0.029044 0Rh 4px 0.006890 0.023413 0.042890 0.067922 -0.030894 -0.009712 0Rh 4py 0.004172 -0.036450 0.009388 -0.038449 -0.075674 -0.015008 0Rh 5pz 0.017549 -0.132006 0.013806 0.078154 0.004076 0.055530 0Rh 5px -0.029431 -0.007476 -0.130491 -0.180108 0.126517 0.022430 0Rh 5py -0.005479 0.065735 -0.038573 0.036370 0.099405 0.017675 0Rh 6pz 0.252539 -0.987179 -0.082251 0.063438 1.123233 -0.039975 0Rh 6px 0.122711 -0.423723 0.178711 -0.159727 -1.353255 -0.093367 0Rh 6py 0.175033 0.494412 0.162229 0.488114 0.932147 0.280178 0Rh 1dz2 -0.005004 -0.012449 -0.000206 -0.008251 -0.006348 -0.014345 0Rh 1dxz 0.007009 -0.008978 0.024745 -0.006788 -0.001916 -0.003749 0Rh 1dyz 0.003938 0.011879 -0.001694 0.005550 0.000445 -0.037046 0Rh 1dx2y2 -0.005061 -0.006198 0.004232 -0.022187 0.025308 -0.016932 0Rh 1dxy -0.001939 0.004662 0.001108 0.011994 0.002899 -0.005922 0Rh 2dz2 0.000063 -0.002546 -0.000330 -0.002416 0.000474 -0.000679 0Rh 2dxz 0.000119 -0.000197 0.003326 -0.002351 0.001050 -0.001601 0Rh 2dyz 0.004294 0.001685 0.001710 -0.001538 0.002078 -0.002122 0Rh 2dx2y2 0.000552 -0.000328 0.002399 -0.001919 0.002858 -0.001639 0Rh 2dxy 0.001105 0.000643 0.002323 0.001228 -0.001115 0.000531 0Rh 3dz2 0.015856 0.053192 0.002374 0.038886 0.019040 0.051467 0Rh 3dxz -0.023797 0.031018 -0.098006 0.033585 0.001839 0.019995 0Rh 3dyz -0.033959 -0.047835 -0.001761 -0.011743 -0.011007 0.134368 0Rh 3dx2y2 0.014024 0.022195 -0.025138 0.083058 -0.098043 0.064435 0Rh 3dxy 0.000935 -0.018576 -0.014129 -0.045881 -0.004678 0.017594 0Rh 4dz2 0.000936 -0.061559 -0.009538 -0.052733 -0.007320 -0.045550 0Rh 4dxz 0.015568 -0.023506 0.103170 -0.049368 0.006667 -0.032228 0Rh 4dyz 0.095537 0.058619 0.011929 -0.006507 0.031535 -0.121458 0Rh 4dx2y2 0.002435 -0.015765 0.042629 -0.075960 0.100140 -0.061824 0Rh 4dxy 0.020892 0.021157 0.031017 0.045884 -0.009486 -0.009718 0Rh 5dz2 -0.184054 0.004912 0.088829 -0.002058 -0.053579 0.077807 0Rh 5dxz 0.029357 -0.021410 -0.061496 0.051018 -0.015065 0.052000 0Rh 5dyz -0.532436 -0.170018 0.114307 -0.010201 -0.089545 0.204989 0Rh 5dx2y2 -0.103949 -0.073140 -0.026551 0.008679 -0.018741 0.019184 0Rh 5dxy -0.194357 -0.045290 0.011410 -0.018554 0.076989 0.078594 0Rh 1f0 -0.005129 0.000804 0.000369 -0.001805 -0.021852 0.011765 0Rh 1f+1 0.010127 0.020038 -0.011025 -0.001316 0.016792 -0.022074 0Rh 1f-1 -0.011958 0.032384 -0.010496 0.001867 0.001232 0.021768 0Rh 1f+2 -0.005776 -0.022621 0.002967 -0.001444 0.002150 0.014491 0Rh 1f-2 0.038505 0.006707 -0.001942 -0.018670 -0.005640 -0.025961 0Rh 1f+3 -0.016522 0.001562 -0.008848 0.003202 0.032379 -0.005410 0Rh 1f-3 -0.010333 0.009157 -0.007856 -0.005474 -0.001476 0.022781 1Rh 1s -0.000308 -0.000081 0.000666 0.000639 0.000286 -0.000082 1Rh 2s 0.003877 -0.001415 -0.002427 0.000338 -0.002226 0.000252 1Rh 3s 0.000517 -0.001339 0.002496 0.004006 0.000351 -0.000333 1Rh 4s -0.020603 0.007384 0.013472 -0.001127 0.011887 -0.001435 1Rh 5s 0.045906 -0.021907 -0.019230 0.019572 -0.022563 0.001937 1Rh 6s -0.042821 0.041654 -0.020169 -0.082594 0.003710 0.002721 1Rh 7s 0.051352 -0.181718 0.247151 0.438119 -0.203100 -0.018078 1Rh 8s 0.077501 0.021529 0.077982 0.088813 -0.013063 0.033069 1Rh 1pz -0.001128 -0.007542 -0.006457 0.003669 0.000605 0.002156 1Rh 1px -0.001998 -0.001994 -0.006363 -0.005570 0.000362 0.000302 1Rh 1py 0.000863 0.001774 -0.002038 0.000101 0.010244 0.001651 1Rh 2pz 0.004497 0.029242 0.025187 -0.013873 -0.002650 -0.008416 1Rh 2px 0.007539 0.007959 0.024000 0.020465 -0.001215 -0.001211 1Rh 2py -0.003334 -0.006951 0.007440 -0.000388 -0.039674 -0.006438 1Rh 3pz -0.013058 -0.069147 -0.061825 0.024547 0.012637 0.021109 1Rh 3px -0.013125 -0.023726 -0.040981 -0.022647 -0.001040 0.003943 1Rh 3py 0.007507 0.017935 -0.007468 0.001399 0.091960 0.015304 1Rh 4pz 0.020559 0.071717 0.066976 0.007435 -0.033727 -0.026637 1Rh 4px -0.004158 0.042445 -0.020878 -0.075909 0.012722 -0.008884 1Rh 4py -0.005360 -0.023230 -0.028793 -0.006133 -0.084500 -0.012086 1Rh 5pz -0.026440 -0.102449 -0.092733 -0.056143 0.043853 0.047155 1Rh 5px 0.017628 -0.079567 0.102101 0.223237 0.003696 0.019819 1Rh 5py 0.006647 0.028946 0.069129 0.018883 0.103424 0.004534 1Rh 6pz -0.454741 -0.846777 -0.513536 0.633928 0.967299 -0.039910 1Rh 6px 0.059492 -0.227818 -0.414769 -0.609321 -1.210649 -0.098067 1Rh 6py -0.217925 0.474706 0.163729 0.096969 1.043033 0.290433 1Rh 1dz2 -0.006852 0.009672 0.007785 -0.003242 0.009770 0.013692 1Rh 1dxz 0.006456 -0.007568 0.024806 -0.004625 0.005638 0.004257 1Rh 1dyz 0.003946 -0.008106 -0.008766 0.005014 -0.003581 0.036961 1Rh 1dx2y2 -0.001376 0.001806 0.006262 -0.032229 -0.008873 0.017218 1Rh 1dxy 0.003248 -0.003992 -0.002270 0.007513 -0.008619 0.006074 1Rh 2dz2 -0.000431 0.002120 0.001356 -0.002232 0.000879 0.000644 1Rh 2dxz 0.000348 -0.001835 0.002640 -0.002523 0.000446 0.001772 1Rh 2dyz 0.003401 -0.002372 0.000360 -0.002193 -0.001068 0.002253 1Rh 2dx2y2 0.000592 -0.001209 0.002046 -0.003064 -0.001381 0.001635 1Rh 2dxy 0.001566 -0.001856 0.001459 0.001480 0.000263 -0.000372 1Rh 3dz2 0.024277 -0.042084 -0.032046 0.021266 -0.036821 -0.049110 1Rh 3dxz -0.022985 0.033655 -0.095125 0.026988 -0.021176 -0.022487 1Rh 3dyz -0.029865 0.038014 0.028222 -0.006932 0.016990 -0.134679 1Rh 3dx2y2 0.001565 -0.000501 -0.030309 0.122026 0.036208 -0.065380 1Rh 3dxy -0.018397 0.021738 0.001101 -0.031982 0.027780 -0.018829 1Rh 4dz2 -0.010380 0.052587 0.031711 -0.038940 0.034312 0.043514 1Rh 4dxz 0.017224 -0.042917 0.093849 -0.044578 0.022739 0.035874 1Rh 4dyz 0.082231 -0.052633 -0.026075 -0.017636 -0.025533 0.122988 1Rh 4dx2y2 0.011236 -0.014464 0.040872 -0.116314 -0.042367 0.062413 1Rh 4dxy 0.038137 -0.033607 0.011208 0.039424 -0.016297 0.012315 1Rh 5dz2 -0.175344 -0.058692 0.066267 0.025059 0.045364 -0.076450 1Rh 5dxz 0.020916 0.054658 -0.032425 0.048630 -0.014939 -0.057596 1Rh 5dyz -0.503503 0.057839 0.190967 0.026901 0.082678 -0.205623 1Rh 5dx2y2 -0.091743 0.070500 0.020691 0.012505 0.012716 -0.017934 1Rh 5dxy -0.190014 0.024165 0.034718 -0.057908 -0.054545 -0.084658 1Rh 1f0 0.004658 0.001161 -0.000013 -0.009668 -0.019319 0.010754 1Rh 1f+1 -0.013216 0.008733 0.021336 0.010072 0.013491 -0.023204 1Rh 1f-1 0.005611 0.018777 0.028168 0.000516 0.001345 0.018829 1Rh 1f+2 0.004323 -0.015704 -0.016542 0.002689 0.001219 0.015763 1Rh 1f-2 -0.042185 0.003725 0.005584 0.012470 -0.014664 -0.028829 1Rh 1f+3 0.013927 -0.004566 0.008481 0.014850 0.028648 -0.005252 1Rh 1f-3 0.005433 0.002717 0.011954 0.004990 -0.004598 0.021862 2C 1s -0.000874 -0.000728 0.001246 0.005687 0.001399 -0.003621 2C 2s -0.000986 -0.003401 0.002832 0.018810 0.005341 -0.007613 2C 3s -0.035631 0.268159 0.087820 -0.177035 -0.172859 -0.193837 2C 4s 0.879500 -0.765807 -1.022342 -0.080419 1.177152 1.184543 2C 5s -0.484223 0.550635 0.563891 -1.765266 -0.422878 -1.026989 2C 1pz 0.004413 0.097631 0.013516 0.031149 -0.017831 -0.015128 2C 1px 0.060858 0.067014 -0.011846 -0.125167 0.037072 -0.043197 2C 1py 0.031379 0.038549 -0.009285 -0.142730 -0.054206 -0.029514 2C 2pz 0.791444 -0.245626 -0.846391 -0.229169 0.871063 0.353902 2C 2px -0.434309 -0.394289 0.174215 0.210498 -0.361561 0.065117 2C 2py 0.422975 -0.187654 -0.471052 0.412425 0.645812 0.356593 2C 3pz -0.015416 -0.024206 0.049618 -0.511676 -0.042045 -0.059455 2C 3px -0.169024 -0.052341 0.128699 -0.037568 -0.238158 -0.209146 2C 3py -0.074903 0.123348 0.023025 -0.178270 0.091276 -0.184069 2C 1dz2 0.029619 0.009040 -0.036234 -0.222366 -0.068577 -0.031151 2C 1dxz 0.065061 -0.018030 -0.052763 0.009779 -0.015769 0.003810 2C 1dyz 0.094033 0.135984 -0.017415 0.025939 0.054846 -0.000504 2C 1dx2y2 0.090864 -0.011954 -0.043873 -0.324285 0.000129 -0.025442 2C 1dxy 0.031836 0.084991 -0.022560 0.165340 0.099787 -0.018943 2C 2dz2 0.258761 -0.037701 -0.250846 -0.130641 0.297636 0.049165 2C 2dxz 0.006086 0.098740 -0.067319 0.112084 0.107775 0.074007 2C 2dyz 0.034211 -0.318627 -0.200291 0.236438 0.236613 0.111780 2C 2dx2y2 -0.404188 -0.133321 0.278598 0.453952 -0.302267 -0.070800 2C 2dxy -0.136390 -0.291437 0.028370 -0.260850 -0.290618 0.063237 2C 1f0 0.022847 0.072729 0.004123 0.164155 0.115822 -0.044015 2C 1f+1 0.052408 -0.027411 -0.066582 0.053986 0.051812 0.081669 2C 1f-1 0.000876 -0.052875 -0.018273 -0.150783 0.024049 -0.021151 2C 1f+2 -0.043156 0.080843 0.084064 0.074057 0.025336 0.029429 2C 1f-2 -0.014748 0.036838 -0.008188 0.110407 0.025976 0.155602 2C 1f+3 -0.027340 -0.017464 -0.039517 0.078425 0.021222 -0.008266 2C 1f-3 0.068588 0.070654 -0.029354 0.002370 0.086100 0.044618 3C 1s 0.002295 -0.006220 0.002024 0.002058 -0.001646 0.004996 3C 2s 0.005565 -0.020657 0.007728 0.005754 -0.005768 0.011663 3C 3s -0.060196 0.253336 -0.064608 0.039432 0.232118 0.091952 3C 4s -0.859358 -0.916285 -0.055617 -0.814276 -0.506951 -1.092963 3C 5s -0.148924 1.682820 -1.044856 0.196967 0.734401 -0.210890 3C 1pz -0.004604 0.065807 -0.008322 0.008507 -0.001341 0.019945 3C 1px -0.142701 0.132266 -0.108332 -0.019511 0.058396 0.013727 3C 1py 0.040952 -0.002104 -0.024256 0.012358 -0.102784 0.032038 3C 2pz -0.885816 -0.914521 0.153278 -0.511381 0.171626 -0.599924 3C 2px 0.442283 -0.327140 0.216032 -0.095273 -0.368077 0.007191 3C 2py 0.690806 0.602685 0.140858 0.509256 0.263045 0.202972 3C 3pz -0.136657 0.025808 -0.184783 -0.096605 0.143986 -0.103110 3C 3px 0.193475 0.080312 -0.029211 0.005902 0.003621 0.168448 3C 3py 0.094217 -0.489405 0.271902 -0.023818 -0.044857 0.144277 3C 1dz2 0.122720 -0.011586 0.048935 0.035512 -0.029771 -0.010126 3C 1dxz 0.169924 -0.270213 0.219435 0.010026 0.031178 -0.012849 3C 1dyz 0.083078 0.031290 -0.008123 0.008825 -0.130741 0.046276 3C 1dx2y2 0.113717 -0.136802 0.083572 -0.011890 0.042417 -0.011427 3C 1dxy 0.114078 0.078717 -0.067526 0.043368 -0.073167 0.030435 3C 2dz2 -0.279000 -0.260344 0.074603 -0.101325 0.268133 -0.189809 3C 2dxz -0.457586 0.139051 -0.253695 -0.131213 0.011073 -0.188231 3C 2dyz 0.008301 0.206796 0.003883 0.128488 0.310575 -0.050903 3C 2dx2y2 0.435745 0.309637 0.065936 0.260460 -0.197645 0.125907 3C 2dxy -0.220737 0.316551 -0.127679 0.103096 0.132091 0.024456 3C 1f0 -0.097868 0.019395 0.017954 0.025519 0.002057 -0.060212 3C 1f+1 -0.068511 -0.062351 0.051005 -0.031213 0.112075 -0.120798 3C 1f-1 0.048895 -0.202670 0.134169 0.019640 0.101541 -0.124912 3C 1f+2 0.028611 -0.119480 0.085775 0.031419 0.005230 -0.039227 3C 1f-2 0.001500 0.044174 -0.036577 0.032294 0.091844 0.033969 3C 1f+3 -0.083922 -0.025308 -0.035445 -0.032429 0.001073 -0.122225 3C 1f-3 0.055959 0.138951 -0.022624 0.056277 -0.019327 -0.070603 4C 1s -0.002997 0.002590 0.001969 -0.002090 -0.001856 -0.001737 4C 2s -0.009746 0.009134 0.005653 -0.008857 -0.005830 -0.006525 4C 3s -0.037945 -0.482333 -0.023675 0.379768 -0.030203 0.227385 4C 4s -0.324976 2.083004 0.391895 -1.610170 -0.384630 -0.974695 4C 5s -0.495755 -0.260565 0.623593 0.400991 0.532320 0.268720 4C 1pz -0.061688 -0.030164 0.037884 -0.061911 -0.072791 -0.037769 4C 1px -0.054965 -0.010575 -0.001410 -0.020304 -0.053292 -0.165241 4C 1py -0.045495 -0.004831 0.046110 0.036722 -0.023343 -0.050368 4C 2pz 0.808879 -0.068309 -0.921876 -0.207831 1.057760 0.309890 4C 2px -0.072657 -0.292950 0.192113 0.361125 -0.041849 1.054769 4C 2py 0.385429 -0.110723 -0.525553 -0.083711 0.572810 0.407768 4C 3pz -0.558678 0.596452 0.807852 -1.706443 -0.126485 -0.927986 4C 3px 0.148309 0.223463 0.064995 -0.177366 0.334877 0.464722 4C 3py -0.262823 0.213083 0.589697 -1.040784 -0.155973 -0.184677 4C 1dz2 0.002533 -0.061135 0.001871 0.064831 0.032442 0.040854 4C 1dxz 0.093823 0.027598 -0.029374 0.036691 0.171699 0.075031 4C 1dyz 0.029271 0.009906 -0.068913 -0.002633 0.007769 0.009883 4C 1dx2y2 -0.042425 0.004017 0.035123 0.271830 -0.042703 0.056347 4C 1dxy 0.059920 -0.043062 -0.026788 -0.069607 0.000739 0.055601 4C 2dz2 -0.320433 -0.064889 0.344920 -0.139954 -0.250092 -0.441200 4C 2dxz -0.990101 -0.553839 0.677173 0.853054 -0.946152 0.412793 4C 2dyz -0.423048 -0.017582 0.467379 0.255113 -0.285999 -0.204936 4C 2dx2y2 0.725419 0.621833 -0.533022 -0.661702 0.618991 0.025917 4C 2dxy -0.226994 0.005189 0.173969 0.022075 -0.293672 0.258304 4C 1f0 -0.081438 -0.072533 0.087163 -0.018672 -0.066597 -0.037696 4C 1f+1 -0.118489 0.046677 0.061725 0.309821 0.032156 0.059757 4C 1f-1 -0.020220 -0.024171 -0.034046 0.102578 0.047151 -0.041117 4C 1f+2 0.134837 0.155997 -0.118977 0.184704 0.186352 -0.021908 4C 1f-2 0.035275 -0.086203 0.001935 -0.136907 -0.066632 0.235004 4C 1f+3 0.040431 -0.011410 -0.104777 -0.191140 -0.002451 -0.098876 4C 1f-3 -0.111057 -0.093890 0.030231 -0.131066 -0.146623 -0.091045 5C 1s 0.002846 0.002250 -0.001745 0.000759 0.002887 0.002131 5C 2s 0.008486 0.009017 -0.006830 0.001102 0.009931 0.006232 5C 3s 0.275077 -0.169284 0.204111 0.094532 -0.495921 0.126200 5C 4s -0.666893 1.207135 -0.762219 -0.267678 2.194751 -0.713503 5C 5s 0.653219 -0.590577 -0.295522 0.411221 -0.233799 -0.442850 5C 1pz 0.025988 0.001043 0.018722 0.022580 0.009271 -0.038451 5C 1px 0.075891 0.005494 -0.019843 0.005894 -0.049014 0.170725 5C 1py -0.084913 -0.123909 0.050511 -0.033344 0.043937 -0.110285 5C 2pz -0.573420 -0.427830 -0.239612 -0.432837 0.053344 0.010872 5C 2px 0.174680 -0.316420 0.337250 -0.219912 -0.054555 -0.944828 5C 2py 1.024604 0.896687 0.083122 0.739508 -0.068157 0.829531 5C 3pz 0.070724 1.021159 -0.638828 0.278711 0.262063 -0.283415 5C 3px -0.188328 0.406384 -0.273612 0.124105 0.407358 -0.830193 5C 3py 0.063771 -1.352064 1.238361 -0.277577 -0.774011 0.410128 5C 1dz2 0.050401 0.073432 -0.095838 -0.006980 0.002971 0.139923 5C 1dxz -0.176515 0.158078 -0.191120 -0.015218 -0.004136 0.017290 5C 1dyz -0.036108 -0.038256 0.000791 0.028854 0.049766 -0.081503 5C 1dx2y2 0.024825 0.098720 0.010442 0.044931 0.021267 0.070212 5C 1dxy 0.079704 0.116214 -0.034672 0.049994 -0.067762 0.093062 5C 2dz2 0.111373 -0.184341 0.183026 0.062087 -0.159577 0.143792 5C 2dxz 1.234840 0.173619 0.366356 0.449900 -0.646455 0.220471 5C 2dyz 0.133606 -0.177225 0.175361 -0.179336 -0.238862 -0.114223 5C 2dx2y2 -0.936323 -0.526697 0.016544 -0.628543 0.410521 -0.845805 5C 2dxy -1.408914 -0.043174 -0.529095 -0.452672 0.467188 -0.001993 5C 1f0 0.167261 -0.068799 0.133525 0.032943 0.045724 -0.063514 5C 1f+1 0.041446 0.315988 -0.162457 0.089463 -0.165467 0.100417 5C 1f-1 -0.085049 -0.018754 0.037278 -0.017622 0.022712 -0.240643 5C 1f+2 -0.089175 -0.052003 -0.046363 0.024863 0.054214 0.067596 5C 1f-2 -0.102595 -0.259700 0.092020 -0.059277 0.130129 0.051315 5C 1f+3 0.183480 -0.208991 0.154228 0.019370 0.032666 -0.012515 5C 1f-3 -0.211120 -0.020048 0.013435 -0.050305 0.031870 -0.235653 6C 1s 0.002714 -0.000729 -0.002726 -0.000891 -0.002743 -0.002397 6C 2s 0.007966 -0.003041 -0.010823 -0.004197 -0.008666 -0.006992 6C 3s 0.310953 0.023370 0.278128 0.320659 0.358941 -0.120854 6C 4s -0.833244 -0.541082 -1.385842 -1.265828 -1.679679 0.703954 6C 5s 0.683060 0.669238 0.125546 0.466072 -0.006557 0.447579 6C 1pz -0.026371 0.011479 -0.014691 -0.015109 0.020835 -0.040029 6C 1px -0.070632 -0.009728 0.014893 -0.030838 -0.040032 0.180338 6C 1py 0.087677 -0.065114 -0.110536 0.051818 0.019034 -0.114929 6C 2pz 0.552066 -0.469983 -0.054984 0.408130 -0.198743 0.009431 6C 2px -0.162215 -0.036121 -0.443830 0.145686 -0.155117 -1.015550 6C 2py -0.998639 0.732554 0.434352 -0.668132 0.348002 0.870005 6C 3pz 0.000705 0.416594 1.133592 -0.160731 0.368693 -0.282380 6C 3px 0.182708 0.158253 0.481011 0.070486 0.410751 -0.848371 6C 3py -0.181011 -0.323251 -1.811566 -0.069559 -0.790284 0.412623 6C 1dz2 0.040733 -0.001172 -0.116261 -0.007978 0.002471 -0.143484 6C 1dxz -0.165641 -0.012089 -0.248519 -0.010449 0.013602 -0.019019 6C 1dyz -0.032883 0.029779 0.020872 -0.000606 -0.056530 0.081517 6C 1dx2y2 0.031204 -0.083052 -0.048270 0.024945 -0.043578 -0.072522 6C 1dxy 0.069526 -0.068935 -0.094212 0.081543 0.030135 -0.097423 6C 2dz2 0.153254 0.044007 0.260161 0.119922 0.099768 -0.155434 6C 2dxz 1.225970 -0.329310 0.218574 0.724343 0.290625 -0.227120 6C 2dyz 0.121185 0.030681 0.249245 -0.032793 0.292888 0.138380 6C 2dx2y2 -1.007261 0.369267 0.289575 -0.719495 0.000754 0.892162 6C 2dxy -1.350862 0.330748 -0.420786 -0.642888 -0.138326 -0.012305 6C 1f0 -0.159523 0.024872 -0.148135 -0.002733 0.058508 -0.071825 6C 1f+1 -0.053950 0.146609 0.315995 -0.164110 -0.089934 0.112857 6C 1f-1 0.084358 0.009183 -0.036266 0.021907 0.011098 -0.249484 6C 1f+2 0.088581 -0.068258 0.006211 0.009549 0.055119 0.075407 6C 1f-2 0.111120 -0.147766 -0.226951 0.121722 0.074259 0.058070 6C 1f+3 -0.180104 -0.075489 -0.251867 0.006254 0.038008 -0.012904 6C 1f-3 0.216355 -0.003342 -0.014396 0.055366 0.001936 -0.246125 7C 1s -0.003086 -0.003315 -0.000005 -0.000603 0.002592 0.002063 7C 2s -0.009805 -0.010915 -0.001105 -0.003805 0.009387 0.007566 7C 3s -0.119130 0.403218 0.291090 0.343840 -0.184853 -0.254380 7C 4s -0.077424 -1.925376 -1.020113 -1.159542 1.207690 1.067119 7C 5s -0.475416 -0.180683 0.649099 0.001576 -0.662055 -0.279977 7C 1pz 0.076601 -0.000049 -0.051256 0.005775 -0.090860 -0.039274 7C 1px 0.075514 -0.012464 -0.008789 -0.021903 -0.053675 -0.183316 7C 1py 0.062421 0.023511 -0.042185 -0.049581 0.003438 -0.055915 7C 2pz -1.020790 -0.611278 0.730276 0.824707 0.728875 0.314230 7C 2px 0.101932 -0.097667 -0.334190 -0.283386 0.140145 1.194272 7C 2py -0.486497 -0.404399 0.371442 0.430134 0.408181 0.455753 7C 3pz 0.403984 1.004368 -0.217425 1.360413 -1.014665 -0.966922 7C 3px -0.196042 0.221865 0.090435 0.346551 0.183591 0.484322 7C 3py 0.136743 0.554890 -0.297055 0.823829 -0.690042 -0.201886 7C 1dz2 0.005148 0.045979 0.037791 0.029394 -0.060799 -0.044173 7C 1dxz 0.125229 -0.005792 -0.045621 -0.072638 -0.162978 -0.076859 7C 1dyz 0.023439 0.035282 -0.059326 -0.002767 -0.004703 -0.014639 7C 1dx2y2 -0.072312 -0.021355 0.029768 0.252032 -0.111364 -0.061994 7C 1dxy 0.072520 0.050323 0.004842 -0.061349 0.037746 -0.056858 7C 2dz2 -0.377974 -0.152406 0.321878 0.064656 0.252685 0.494734 7C 2dxz -1.301025 0.030445 0.923475 1.276678 0.317025 -0.496188 7C 2dyz -0.495285 -0.268948 0.392994 0.388323 0.088382 0.226177 7C 2dx2y2 0.949410 -0.176960 -0.843127 -0.943344 -0.130175 -0.021912 7C 2dxy -0.267169 -0.116942 0.138394 0.168779 0.244497 -0.312743 7C 1f0 0.093224 -0.002832 -0.116132 -0.025998 -0.060664 -0.037644 7C 1f+1 0.159549 0.073379 -0.025855 -0.250548 0.200931 0.065784 7C 1f-1 0.036451 -0.040936 0.011594 -0.065574 0.098669 -0.044966 7C 1f+2 -0.154282 0.046229 0.193353 -0.046947 0.251932 -0.036813 7C 1f-2 -0.060906 -0.059842 -0.048911 0.091345 -0.132309 0.259377 7C 1f+3 -0.050225 -0.075710 0.074869 0.155300 -0.106831 -0.118227 7C 1f-3 0.134414 -0.057145 -0.084959 0.022094 -0.191020 -0.112984 8C 1s 0.002498 0.003836 0.005436 0.002403 0.000391 -0.005340 8C 2s 0.006250 0.012062 0.018753 0.007253 0.002045 -0.012503 8C 3s -0.081799 -0.165210 -0.204463 -0.078230 -0.215601 -0.100965 8C 4s -0.794623 0.738341 0.477000 -0.449958 0.859859 1.176922 8C 5s -0.275601 -0.706933 -1.858090 -0.106499 -0.719646 0.192510 8C 1pz 0.006852 0.048030 0.047681 -0.009412 0.003687 0.020857 8C 1px 0.138238 0.041616 0.168065 0.046496 0.038373 0.016790 8C 1py -0.050946 -0.018560 0.017169 -0.061121 -0.079745 0.033610 8C 2pz 0.867515 -0.608958 -0.640668 0.530582 -0.138517 -0.625355 8C 2px -0.433042 -0.131195 -0.377212 -0.115477 -0.361961 0.000911 8C 2py -0.644298 0.549164 0.235678 -0.322028 0.499095 0.227343 8C 3pz 0.146319 -0.085811 0.163148 0.146421 0.066551 -0.107510 8C 3px -0.165253 0.046488 0.067977 -0.011976 0.007850 0.169277 8C 3py -0.109242 -0.223985 -0.516966 0.020726 -0.051637 0.147128 8C 1dz2 0.129248 -0.016515 0.051810 0.043819 0.005793 0.009740 8C 1dxz 0.154786 0.084277 0.341108 -0.010815 -0.032402 0.019079 8C 1dyz 0.088763 -0.017690 -0.024069 0.076930 0.104959 -0.046992 8C 1dx2y2 0.108133 0.059759 0.151756 -0.035937 -0.029667 0.015512 8C 1dxy 0.116090 -0.017660 -0.095517 0.074887 0.036840 -0.031299 8C 2dz2 -0.297334 0.152450 0.202437 -0.222364 -0.169232 0.196599 8C 2dxz -0.446081 0.031083 -0.304009 -0.111440 0.064653 0.188870 8C 2dyz -0.028491 -0.168751 -0.124007 -0.042724 -0.331387 0.050236 8C 2dx2y2 0.426490 -0.273838 -0.122376 0.333827 0.020941 -0.134736 8C 2dxy -0.199520 -0.174773 -0.298135 0.021021 -0.165993 -0.035384 8C 1f0 0.101583 0.027646 0.000464 -0.023841 0.017412 -0.062666 8C 1f+1 0.062059 -0.017508 -0.073823 0.087970 0.078632 -0.125151 8C 1f-1 -0.044698 -0.079458 -0.227686 0.040289 0.097412 -0.132401 8C 1f+2 -0.020894 -0.043151 -0.139683 -0.025609 0.019313 -0.038833 8C 1f-2 -0.011483 0.011252 0.055045 0.023237 0.093502 0.039693 8C 1f+3 0.075438 -0.040624 0.015479 0.028397 -0.017738 -0.124220 8C 1f-3 -0.056909 0.094041 0.100465 -0.059690 0.016600 -0.072618 9C 1s -0.001860 0.000078 0.001701 0.004253 -0.004244 0.004167 9C 2s -0.003626 0.001735 0.005058 0.013362 -0.014550 0.008905 9C 3s -0.027635 -0.267834 -0.094492 -0.044149 0.234814 0.213376 9C 4s 1.083086 1.213891 -0.387173 -0.810218 -0.893431 -1.308619 9C 5s -0.387442 -0.811308 0.061635 -1.230798 1.293490 1.099412 9C 1pz -0.005898 0.085529 0.048850 -0.037378 0.003412 -0.014034 9C 1px -0.088314 0.048957 0.055429 0.125549 -0.033087 -0.050436 9C 1py -0.045847 0.027023 0.032667 0.091680 -0.124384 -0.034154 9C 2pz -0.943123 -0.709179 0.548326 0.722233 0.569920 0.369742 9C 2px 0.592103 -0.208115 -0.404625 -0.402008 -0.186483 0.089665 9C 2py -0.478474 -0.443802 0.264747 0.044488 0.741095 0.385929 9C 3pz -0.037962 0.020004 -0.038388 0.415196 -0.310901 -0.064869 9C 3px 0.203129 0.036485 -0.135554 -0.106494 -0.218980 -0.207993 9C 3py 0.069450 0.120454 0.064658 0.188446 -0.019306 -0.185939 9C 1dz2 0.039338 0.012217 -0.033266 -0.149809 0.182529 0.034683 9C 1dxz 0.066675 0.051955 -0.026219 0.012731 0.018803 -0.003235 9C 1dyz 0.120205 -0.095927 -0.101141 -0.013374 -0.058758 0.005892 9C 1dx2y2 0.130379 0.034053 -0.030225 -0.277335 0.182622 0.033758 9C 1dxy 0.037096 -0.050807 -0.072183 0.078618 -0.170341 0.017809 9C 2dz2 0.318253 0.183097 -0.184736 -0.283220 -0.171272 -0.041110 9C 2dxz 0.011640 -0.041567 -0.121204 0.028069 -0.151938 -0.089582 9C 2dyz 0.000901 0.377238 0.039141 0.066317 -0.324163 -0.126495 9C 2dx2y2 -0.535723 -0.061570 0.318857 0.580301 -0.016826 0.059541 9C 2dxy -0.187363 0.211079 0.213723 -0.047143 0.388400 -0.068719 9C 1f0 -0.020090 0.059590 0.042333 -0.077218 0.187841 -0.044763 9C 1f+1 -0.055783 -0.064696 0.035085 -0.010260 0.066028 0.087037 9C 1f-1 -0.008108 -0.049559 -0.016033 0.135832 -0.056484 -0.024951 9C 1f+2 0.050830 0.114999 -0.017344 -0.053818 0.064680 0.026454 9C 1f-2 0.018648 0.028157 0.031035 -0.074985 0.081799 0.170935 9C 1f+3 0.043811 -0.042396 0.016911 -0.056927 0.058113 -0.010361 9C 1f-3 -0.088536 0.036785 0.071645 0.047013 0.070985 0.042262 10H 1s 0.030746 0.050789 -0.024976 -0.187492 0.013352 -0.032815 10H 2s 0.440289 0.323711 -0.279863 0.047109 0.385511 0.003176 10H 3s 0.055027 -0.092984 -0.054143 -0.036539 0.100749 0.126235 10H 1pz 0.132670 0.035944 -0.107664 -0.002941 0.086977 0.016686 10H 1px -0.070728 -0.084359 0.052257 -0.145943 -0.059133 0.035130 10H 1py 0.066805 0.131356 -0.036280 0.131956 0.145315 0.040816 11H 1s -0.018727 -0.137955 -0.020173 -0.083862 -0.070103 0.003906 11H 2s -0.116822 -0.013847 0.109555 -0.108565 -0.171173 -0.226048 11H 3s 0.052699 -0.104487 -0.037008 0.000020 -0.041636 0.114164 11H 1pz -0.035933 0.040973 0.034569 -0.182678 -0.072595 -0.109798 11H 1px -0.047721 0.004231 0.014636 0.164040 -0.003496 -0.087508 11H 1py -0.055888 -0.080489 -0.001483 -0.062503 -0.089347 -0.014435 12H 1s -0.037695 0.035888 0.004000 0.285043 0.091637 -0.007410 12H 2s -0.077570 0.034921 0.085094 0.168009 -0.035369 -0.180497 12H 3s 0.028590 0.024554 -0.041982 0.203742 0.105360 0.074299 12H 1pz -0.068963 -0.007938 0.056471 0.080880 0.000415 -0.014790 12H 1px -0.014966 -0.022296 0.026652 0.040441 -0.025091 0.004597 12H 1py 0.019909 0.035234 0.004682 -0.098905 -0.023238 -0.116878 13H 1s -0.110631 0.126365 -0.139713 -0.016794 0.035776 0.015956 13H 2s -0.557520 -0.442831 0.093778 -0.159115 0.314198 -0.215186 13H 3s -0.074528 0.001169 -0.076394 -0.038373 -0.094416 -0.025838 13H 1pz -0.116067 -0.271514 0.125510 -0.056844 0.166976 -0.094880 13H 1px 0.033980 0.084186 -0.059929 0.005820 0.021161 -0.053517 13H 1py 0.156815 0.080099 -0.005179 0.026359 -0.016314 0.063464 14H 1s 0.122724 -0.239714 0.146164 -0.020265 0.054713 0.015796 14H 2s 0.009458 -0.146649 0.050554 -0.038730 0.040528 0.162676 14H 3s 0.068783 -0.239689 0.112457 -0.053194 -0.006060 -0.018801 14H 1pz -0.087003 0.044876 -0.080979 -0.031727 0.021668 0.083345 14H 1px -0.061780 0.008924 -0.014434 -0.003918 0.010696 0.049576 14H 1py -0.106021 0.058421 -0.041863 -0.002224 0.002425 -0.006871 15H 1s 0.032987 0.069069 -0.025861 0.027432 -0.137191 0.044064 15H 2s 0.226099 0.199535 -0.105968 0.129630 -0.108882 0.397771 15H 3s -0.046149 0.023678 0.052934 -0.006220 -0.073559 -0.068981 15H 1pz 0.010535 0.185368 -0.087014 -0.006176 -0.057137 0.009095 15H 1px 0.141213 -0.069276 0.071243 0.019037 -0.063343 0.119055 15H 1py -0.056769 -0.181641 0.113507 -0.034333 -0.000164 -0.175421 16H 1s 0.035808 -0.004915 -0.020987 0.022477 0.050154 0.012713 16H 2s -0.159512 0.025388 0.152816 -0.091312 -0.393730 -0.054194 16H 3s 0.005629 -0.067368 -0.032858 0.040614 0.123060 0.000816 16H 1pz -0.047936 0.006816 0.049209 -0.025769 -0.100203 -0.004229 16H 1px 0.010751 0.013073 -0.010733 0.006569 -0.006043 0.015322 16H 1py -0.011127 -0.004260 0.012049 -0.011044 -0.006629 -0.004983 17H 1s -0.025037 0.027665 0.016433 0.004579 0.030664 0.018457 17H 2s 0.036572 -0.019616 -0.014793 -0.013764 -0.363511 0.031568 17H 3s -0.014374 0.082836 0.016685 0.011796 0.092662 0.007267 17H 1pz 0.001080 -0.005482 -0.008282 -0.000821 0.077308 -0.015148 17H 1px -0.006995 -0.018979 0.006402 -0.009170 0.062611 -0.012540 17H 1py 0.008273 0.015157 -0.011932 0.003604 -0.025876 0.011560 18H 1s -0.025782 -0.030620 -0.002380 -0.010869 -0.028193 -0.017685 18H 2s -0.016907 0.014887 0.003067 0.190369 0.317506 -0.028848 18H 3s -0.011768 -0.077925 -0.039166 -0.036189 -0.084459 -0.006418 18H 1pz -0.015774 -0.010919 0.004998 0.045131 0.067111 -0.014812 18H 1px -0.004913 -0.013533 -0.016194 0.044089 0.049609 -0.011321 18H 1py -0.003206 0.005079 0.017842 -0.017207 -0.018726 0.010533 19H 1s 0.039235 0.019283 -0.012672 -0.009902 -0.053167 -0.013080 19H 2s -0.236119 -0.128615 0.106376 0.153655 0.379058 0.059348 19H 3s 0.023116 0.073071 0.013332 -0.038244 -0.124244 0.000864 19H 1pz 0.075183 0.039955 -0.035873 -0.037992 -0.097417 -0.006317 19H 1px -0.010819 0.002344 0.015522 -0.007796 -0.001586 0.016985 19H 1py 0.018575 0.005954 -0.012463 0.002902 -0.014461 -0.006006 20H 1s 0.041793 -0.037310 -0.063242 0.094467 0.099939 -0.047320 20H 2s 0.235215 -0.085206 -0.190865 0.160284 0.022922 -0.416614 20H 3s -0.039069 -0.051261 0.023650 0.031008 0.062983 0.075261 20H 1pz -0.013936 0.093929 0.179350 -0.028191 -0.050633 0.008836 20H 1px -0.131887 -0.014473 -0.104078 -0.049200 -0.043268 0.121346 20H 1py 0.058461 -0.072924 -0.194139 0.027378 -0.018261 -0.183514 21H 1s 0.114503 0.102574 0.264417 -0.049059 -0.034123 -0.012169 21H 2s 0.005576 0.083668 0.130543 -0.050232 -0.007447 -0.177647 21H 3s 0.069756 0.120464 0.235424 -0.051318 0.031600 0.028753 21H 1pz 0.092496 -0.010598 0.091722 0.035035 -0.001427 0.090656 21H 1px 0.053029 -0.000382 0.018463 0.008494 0.004969 0.056707 21H 1py 0.102984 0.022247 0.070028 0.003499 0.000501 -0.006154 22H 1s -0.107567 -0.017333 -0.187746 -0.032420 -0.019785 -0.019838 22H 2s -0.567869 0.281044 0.320116 -0.303175 -0.173144 0.220577 22H 3s -0.056360 0.045198 -0.058885 0.010678 0.101223 0.029581 22H 1pz 0.122002 -0.135056 -0.257600 0.138750 0.108223 -0.100029 22H 1px -0.040916 0.029962 0.097510 0.005532 0.021198 -0.055337 22H 1py -0.156996 0.057697 0.046521 -0.030980 0.001988 0.064108 23H 1s -0.063356 -0.025877 -0.015295 0.194774 -0.234282 0.003351 23H 2s -0.123774 -0.073397 0.059002 0.178163 -0.068359 0.199839 23H 3s 0.020545 0.005297 -0.048459 0.113099 -0.196485 -0.091053 23H 1pz 0.086757 0.029137 -0.050847 -0.071182 0.047664 -0.011397 23H 1px 0.028079 -0.003553 -0.038376 -0.051003 -0.000328 0.003351 23H 1py -0.020650 0.030218 0.014318 0.064257 -0.070923 -0.132454 24H 1s -0.025269 0.122694 0.070315 -0.035513 0.110425 -0.001408 24H 2s -0.174944 -0.052835 0.107822 0.026848 0.193444 0.251623 24H 3s 0.067282 0.106475 0.034029 0.011658 0.039938 -0.126745 24H 1pz 0.038716 0.056112 -0.002170 0.103750 -0.153334 -0.122734 24H 1px 0.079197 0.008487 -0.014513 -0.146478 0.089079 -0.093302 24H 1py 0.069974 -0.065001 -0.051211 -0.000782 -0.107827 -0.011559 25H 1s 0.054017 -0.029238 -0.055720 -0.163942 0.087447 0.041734 25H 2s 0.545129 -0.079197 -0.432597 -0.202265 -0.329311 0.011157 25H 3s 0.069735 0.103570 0.013401 -0.087609 -0.066347 -0.133013 25H 1pz -0.161983 -0.040405 0.109992 0.062209 0.062004 0.012057 25H 1px 0.069856 -0.031016 -0.091573 0.088768 -0.125621 0.038132 25H 1py -0.082307 0.080565 0.111854 -0.028197 0.191249 0.043336 26O 1s -0.009544 0.016685 0.004422 -0.007653 -0.016886 0.025007 26O 2s -0.037376 0.055580 0.017755 -0.028931 -0.061142 0.082912 26O 3s 0.385002 -0.371928 -0.181549 0.240062 0.527386 -0.542356 26O 4s -1.214187 0.444985 0.602118 -0.497610 -1.263212 0.566545 26O 5s 1.379940 -1.068668 -0.916743 1.288529 1.175689 -1.279090 26O 1pz -0.113818 -0.229871 0.085053 0.315828 0.012717 0.113432 26O 1px 0.196526 0.070543 -0.107124 0.021587 0.153602 0.073961 26O 1py -0.009811 -0.152050 0.009305 0.116501 0.057450 0.040986 26O 2pz 0.323031 0.540842 -0.211888 -0.779308 0.027589 -0.255816 26O 2px -0.165299 0.015004 0.135638 -0.061211 -0.223142 0.162713 26O 2py 0.171544 0.427492 -0.061603 -0.269106 -0.029719 0.052460 26O 3pz 0.459773 -0.307159 -0.239238 0.521036 0.653711 0.107410 26O 3px -0.122874 0.098896 0.035048 -0.194927 0.385910 0.395553 26O 3py 0.235117 -0.212043 -0.203944 0.186785 0.554734 0.120783 26O 1dz2 -0.004038 -0.004307 0.001511 0.005299 0.001874 -0.005527 26O 1dxz -0.006366 -0.007859 0.006667 0.002295 0.000079 -0.000189 26O 1dyz 0.004020 -0.002027 -0.003102 0.006117 0.005195 -0.001425 26O 1dx2y2 0.015942 0.006762 -0.005757 -0.007746 0.004208 0.004834 26O 1dxy 0.009251 0.000177 0.001941 0.016762 0.007210 0.009852 26O 2dz2 0.010601 -0.025623 -0.008611 0.050087 -0.002947 0.072972 26O 2dxz -0.119768 -0.116677 0.076632 0.230561 -0.012055 0.152800 26O 2dyz 0.000113 -0.043112 -0.016695 0.178948 0.027871 0.044909 26O 2dx2y2 0.096512 0.110160 -0.032734 0.003354 0.072470 -0.073508 26O 2dxy -0.021267 -0.109174 0.009125 -0.078711 -0.046024 -0.055051 26O 1f0 -0.006093 0.001067 0.002741 -0.018483 -0.020503 -0.019435 26O 1f+1 -0.010310 -0.016556 -0.001366 -0.018348 -0.018250 -0.007826 26O 1f-1 -0.000268 0.004027 -0.003054 0.003607 -0.001756 -0.020391 26O 1f+2 0.004175 -0.017958 0.001133 -0.005558 0.007571 0.029020 26O 1f-2 0.005438 0.007176 -0.007380 0.033380 0.020877 0.012308 26O 1f+3 -0.000896 -0.016919 -0.002717 -0.032048 -0.001137 -0.003067 26O 1f-3 -0.019305 -0.003404 0.012103 0.044619 -0.000121 -0.012271 27O 1s 0.002263 0.026101 0.000796 0.013303 0.021750 -0.034670 27O 2s 0.012529 0.095091 -0.000743 0.048800 0.072336 -0.115137 27O 3s -0.218001 -0.811436 0.060214 -0.440074 -0.485138 0.743026 27O 4s 1.004889 1.961558 -0.340863 1.172956 0.649410 -0.743671 27O 5s -0.799946 -2.211726 0.668707 -0.813980 -1.606913 2.429485 27O 1pz 0.187585 -0.068442 0.025624 0.065353 -0.169508 0.087631 27O 1px -0.212713 -0.155728 0.045365 -0.092068 0.036954 -0.058652 27O 1py -0.253938 0.237044 -0.175514 -0.028599 0.203258 0.023932 27O 2pz -0.423345 0.149197 -0.059435 -0.150905 0.406458 -0.202066 27O 2px 0.086254 0.109530 0.048056 -0.031611 0.148998 -0.428976 27O 2py 0.717532 -0.490182 0.409097 0.149078 -0.534791 0.056477 27O 3pz -0.222707 -0.556371 0.132879 -0.174909 -0.316378 0.213190 27O 3px -0.056559 -0.139434 -0.172281 -0.182181 0.353639 -0.639289 27O 3py 0.236502 0.873594 -0.225625 0.278033 0.273338 -0.037589 27O 1dz2 0.008771 0.011652 -0.010295 0.005221 -0.006828 0.010943 27O 1dxz 0.016393 -0.007903 0.009093 0.001677 -0.004999 -0.001751 27O 1dyz 0.003990 0.013277 -0.006589 0.004820 0.000739 -0.001088 27O 1dx2y2 -0.016443 -0.001479 0.005654 -0.003697 0.009154 -0.015497 27O 1dxy -0.002965 0.001089 -0.001945 -0.002685 -0.001015 -0.003110 27O 2dz2 0.033610 -0.017114 0.027185 -0.012729 0.043309 -0.058383 27O 2dxz 0.113831 0.088140 -0.069243 0.084571 -0.171173 0.054431 27O 2dyz 0.035382 0.095734 -0.034537 0.026605 0.038166 -0.047671 27O 2dx2y2 -0.088457 0.092692 -0.105535 -0.004463 0.022377 0.166913 27O 2dxy -0.229290 0.158228 -0.149082 -0.090721 0.110183 0.079443 27O 1f0 0.012905 -0.013474 0.020085 -0.000477 0.008375 -0.013371 27O 1f+1 0.030869 -0.026524 0.020092 0.005378 0.001711 0.015123 27O 1f-1 -0.004944 -0.002591 0.002562 -0.002410 -0.003264 -0.021226 27O 1f+2 -0.005293 0.033618 -0.027839 0.007959 -0.017406 -0.001071 27O 1f-2 -0.000259 0.017640 -0.004680 0.002639 -0.009459 -0.014962 27O 1f+3 0.018523 -0.000325 0.000811 0.007807 -0.021806 0.011787 27O 1f-3 -0.007984 -0.043500 0.018974 -0.009275 0.010618 -0.043178 28O 1s -0.013407 0.014893 0.021167 -0.009895 -0.027265 -0.032901 28O 2s -0.051223 0.047872 0.078164 -0.032984 -0.097541 -0.112187 28O 3s 0.533662 -0.261867 -0.724058 0.192853 0.860736 0.794625 28O 4s -1.896030 -0.052666 2.049244 0.082802 -2.358942 -1.196377 28O 5s 1.064162 -1.214734 -1.510456 1.964902 1.302701 2.468105 28O 1pz -0.031710 -0.178298 -0.079371 0.115126 0.081330 0.041404 28O 1px -0.074817 -0.111692 0.118466 -0.070409 -0.038425 0.000541 28O 1py -0.041019 -0.093515 -0.011614 0.122912 0.087247 -0.010816 28O 2pz 0.426895 0.692818 -0.148436 -0.429688 0.165065 -0.276543 28O 2px -0.257575 -0.054851 0.087724 0.423674 -0.281592 0.250029 28O 2py 0.144711 0.233321 -0.027238 -0.399461 -0.179475 0.018311 28O 3pz 0.082768 -0.201599 -0.445256 0.053148 0.440161 0.077815 28O 3px 0.277725 -0.286190 -0.104593 0.530400 0.142001 0.544039 28O 3py 0.149776 -0.260619 -0.353448 0.146506 0.263168 0.167683 28O 1dz2 -0.001419 0.002085 -0.000972 0.008064 0.003835 0.001146 28O 1dxz -0.003011 -0.007678 0.006120 -0.007770 0.002841 0.008807 28O 1dyz 0.007645 -0.003886 -0.007211 -0.009173 0.001132 0.006149 28O 1dx2y2 0.005572 0.003124 -0.007314 -0.001599 -0.002257 -0.004601 28O 1dxy 0.005085 0.008173 -0.001210 0.004968 0.008940 0.000137 28O 2dz2 -0.042967 -0.166499 0.089230 -0.107632 -0.057500 -0.022420 28O 2dxz 0.053501 0.089454 -0.068083 -0.000881 0.068601 -0.055343 28O 2dyz 0.051280 -0.023169 -0.018035 0.093718 0.083831 -0.013008 28O 2dx2y2 0.052642 0.069574 -0.049232 0.054534 0.023834 0.106611 28O 2dxy 0.101548 0.028921 -0.064264 -0.199093 -0.020518 0.083837 28O 1f0 -0.006117 -0.019726 0.009525 -0.007887 -0.009992 0.007009 28O 1f+1 -0.004333 0.015388 0.005628 0.019146 -0.008571 0.015215 28O 1f-1 0.013202 0.014149 -0.002331 -0.009087 0.014123 0.013995 28O 1f+2 0.018750 0.018516 -0.018026 0.002888 0.019170 -0.013658 28O 1f-2 -0.001456 -0.009421 0.004762 -0.006101 -0.015026 0.021664 28O 1f+3 0.017806 0.019482 -0.012267 -0.022314 0.006428 0.002133 28O 1f-3 0.010307 0.003378 0.001210 -0.020075 -0.002824 0.008478 29O 1s 0.000041 -0.000689 0.003356 -0.001398 -0.016709 -0.000886 29O 2s 0.000468 -0.002785 0.011396 -0.004750 -0.057358 -0.003424 29O 3s -0.012587 0.028414 -0.079007 0.030386 0.406589 0.031230 29O 4s 0.037993 -0.064487 0.148095 -0.028908 -0.749687 -0.063800 29O 5s 0.040723 0.035095 -0.293908 0.021431 1.373210 0.056215 29O 1pz -0.017142 -0.015485 -0.005293 0.011831 0.037351 -0.001698 29O 1px -0.004433 -0.001246 0.010449 -0.021236 -0.086068 0.011417 29O 1py 0.000886 0.003549 -0.008806 -0.004792 0.030463 0.000535 29O 2pz -0.012320 0.017420 0.054861 -0.053526 -0.105846 -0.013801 29O 2px 0.007946 -0.009672 -0.022587 0.042626 0.250842 -0.031340 29O 2py -0.012570 0.007310 0.033223 0.005187 -0.128864 0.007062 29O 3pz -0.091253 0.047868 0.020342 0.010741 0.074466 -0.033057 29O 3px -0.009568 0.004508 0.081417 -0.023172 -0.382566 -0.017276 29O 3py -0.048454 -0.029550 0.019400 -0.059792 -0.285044 -0.013363 29O 1dz2 -0.001806 0.003018 0.002094 -0.001213 -0.000684 0.000329 29O 1dxz 0.000837 -0.003358 -0.002104 -0.000570 0.001105 0.000258 29O 1dyz -0.001132 -0.002226 0.001193 -0.003277 -0.001863 -0.000104 29O 1dx2y2 0.000331 -0.001882 -0.000325 0.001205 0.002816 0.000688 29O 1dxy 0.001974 0.000819 0.001630 0.001234 0.005390 0.000572 29O 2dz2 0.006257 0.012435 -0.006043 0.004794 0.013595 0.003317 29O 2dxz 0.006799 -0.030283 -0.006057 0.000129 0.025626 -0.006914 29O 2dyz 0.015699 -0.000861 -0.020729 0.002784 0.001194 0.010480 29O 2dx2y2 -0.003743 -0.007828 0.001005 -0.001576 -0.001010 0.001423 29O 2dxy 0.005324 0.021203 0.009004 0.009418 -0.018719 0.019216 29O 1f0 -0.001533 -0.000299 0.001698 -0.001093 -0.010389 -0.001051 29O 1f+1 0.000950 0.005400 -0.000404 -0.000097 0.004178 0.001225 29O 1f-1 -0.005790 -0.001146 0.002396 -0.004852 -0.008469 -0.002067 29O 1f+2 0.000741 -0.003511 -0.004206 -0.000867 0.004154 0.000160 29O 1f-2 0.004160 -0.001169 -0.003099 -0.001191 -0.006125 -0.002133 29O 1f+3 -0.002488 0.002996 0.000735 -0.001769 -0.001826 0.000411 29O 1f-3 -0.004007 -0.000899 0.000745 -0.000360 0.000165 0.001469 30O 1s 0.020935 0.021022 0.002386 0.000488 0.015241 0.025111 30O 2s 0.080077 0.075712 0.008666 0.004320 0.050294 0.087320 30O 3s -0.834063 -0.652003 -0.098318 -0.104427 -0.300047 -0.681546 30O 4s 2.919043 1.565105 0.438819 0.618393 0.059555 1.370672 30O 5s -0.977064 -1.991647 0.975624 -0.083627 -1.516388 -0.990541 30O 1pz 0.028731 -0.202930 0.045686 -0.000073 -0.072072 0.063565 30O 1px 0.129876 0.076031 -0.059835 0.087343 -0.084423 0.031224 30O 1py -0.031839 0.087890 0.018382 -0.045978 0.204125 -0.016226 30O 2pz -0.535149 0.414879 -0.245799 -0.118242 0.331783 -0.206000 30O 2px 0.330943 -0.001715 0.256461 -0.012076 -0.098519 -0.069398 30O 2py 0.543761 -0.013210 0.041276 0.257498 -0.703174 0.107022 30O 3pz -0.167723 -0.267201 -0.202172 -0.248277 -0.298406 -0.005645 30O 3px -0.180727 -0.356447 0.341871 0.146706 -0.280632 -0.132498 30O 3py 0.331023 0.514905 0.140251 0.179539 0.372239 0.146476 30O 1dz2 0.006069 0.010900 -0.004664 0.001068 -0.008417 -0.002072 30O 1dxz 0.007463 -0.004907 -0.001448 -0.001316 0.003781 0.000709 30O 1dyz 0.012111 0.003613 0.002259 0.000841 0.005354 0.002245 30O 1dx2y2 -0.005838 0.002558 0.001396 -0.004360 0.008040 0.001036 30O 1dxy 0.007226 -0.011739 0.007724 0.000070 0.002634 0.009115 30O 2dz2 0.174498 -0.150362 0.082100 -0.003058 0.020443 0.137691 30O 2dxz -0.089961 0.133592 -0.103384 -0.007507 -0.022527 -0.005672 30O 2dyz -0.008702 0.016575 0.000736 -0.019705 0.073752 -0.057794 30O 2dx2y2 -0.111513 -0.082989 0.057327 -0.059789 0.138175 -0.128772 30O 2dxy 0.107061 0.137284 -0.054516 0.061822 -0.125078 0.017348 30O 1f0 0.037687 -0.007127 0.011079 0.009119 -0.018605 0.020575 30O 1f+1 -0.027262 0.024097 -0.013772 0.002590 0.001722 -0.018182 30O 1f-1 0.002496 0.009832 0.004767 0.002683 -0.010400 -0.014454 30O 1f+2 -0.003153 -0.006389 0.005076 -0.000035 0.007312 0.010513 30O 1f-2 -0.023360 -0.024150 -0.003187 -0.013846 0.013356 0.009788 30O 1f+3 -0.013222 -0.003920 0.012286 -0.002796 0.030620 -0.024794 30O 1f-3 -0.019643 -0.009769 -0.001717 -0.002632 0.005931 -0.003487 31O 1s 0.017013 -0.017950 -0.010280 -0.006494 -0.013308 -0.025612 31O 2s 0.066596 -0.064560 -0.036866 -0.018908 -0.045465 -0.088959 31O 3s -0.733506 0.566505 0.295618 0.038991 0.316987 0.691166 31O 4s 2.729661 -1.460236 -0.530199 0.555962 -0.409889 -1.375210 31O 5s -0.783485 0.983581 1.972046 0.613952 1.313522 1.015759 31O 1pz -0.042376 -0.134084 -0.159497 -0.029200 -0.063660 0.067501 31O 1px -0.149194 0.018076 0.089017 -0.115741 -0.022358 0.033422 31O 1py 0.056838 0.086136 0.041015 0.137901 0.148260 -0.022255 31O 2pz 0.562202 0.190550 0.458503 0.253439 0.217926 -0.208907 31O 2px -0.283834 0.155293 -0.208860 -0.049948 -0.086347 -0.084033 31O 2py -0.601349 -0.007655 -0.059151 -0.568165 -0.449877 0.114957 31O 3pz 0.181169 -0.327114 0.001799 0.050214 -0.395420 0.000697 31O 3px 0.120373 -0.079628 -0.490178 -0.239197 -0.148613 -0.137862 31O 3py -0.325733 0.486757 0.193851 0.030245 0.423480 0.144446 31O 1dz2 0.006152 -0.005606 -0.010233 0.005643 0.006410 0.001972 31O 1dxz 0.008232 0.004751 0.001920 -0.003538 -0.002395 -0.000320 31O 1dyz 0.012374 -0.004071 -0.000233 -0.002015 -0.004936 -0.001962 31O 1dx2y2 -0.005809 -0.003150 -0.000615 -0.007818 -0.004392 -0.001096 31O 1dxy 0.006123 0.004758 0.013459 -0.001429 -0.002218 -0.009662 31O 2dz2 0.168584 0.071311 0.159889 -0.016923 -0.013946 -0.141017 31O 2dxz -0.084030 -0.043436 -0.163652 0.008325 0.022732 0.003656 31O 2dyz -0.016735 -0.014716 -0.012305 -0.051137 -0.050838 0.059716 31O 2dx2y2 -0.122865 0.025516 0.089985 -0.120993 -0.082957 0.134789 31O 2dxy 0.112957 -0.071415 -0.122214 0.119348 0.070353 -0.019986 31O 1f0 -0.037420 0.000251 -0.014316 -0.017094 -0.010628 0.020928 31O 1f+1 0.025937 0.010970 0.026218 -0.002075 0.002883 -0.018297 31O 1f-1 -0.002025 0.010470 0.002254 -0.008405 -0.006964 -0.014861 31O 1f+2 0.004314 -0.001864 -0.007912 0.004048 0.006025 0.011103 31O 1f-2 0.024095 -0.020435 -0.011442 0.019108 0.003190 0.010295 31O 1f+3 0.013470 0.004857 -0.011514 0.018262 0.024389 -0.025876 31O 1f-3 0.020117 -0.008482 -0.004127 0.005043 0.003172 -0.002741 32O 1s -0.002820 -0.001858 0.003152 0.008287 0.014701 0.000959 32O 2s -0.009126 -0.005929 0.010948 0.028432 0.050396 0.003641 32O 3s 0.050666 0.032943 -0.080969 -0.203070 -0.354458 -0.031988 32O 4s -0.068841 -0.048185 0.159037 0.395225 0.636996 0.064072 32O 5s 0.258905 0.171321 -0.265794 -0.760066 -1.157620 -0.064059 32O 1pz 0.008238 -0.015452 -0.004648 0.011647 0.037273 -0.001271 32O 1px 0.021079 0.006674 -0.010782 -0.030630 -0.084607 0.011692 32O 1py -0.006997 -0.001933 0.010154 0.021698 0.022932 0.001936 32O 2pz 0.041867 0.049271 -0.033633 -0.016598 -0.113355 -0.016296 32O 2px -0.055298 -0.026176 0.016948 0.106624 0.237555 -0.030847 32O 2py 0.043562 0.028249 -0.026014 -0.079614 -0.106974 0.002330 32O 3pz 0.080669 0.052445 0.015397 0.029804 0.070558 -0.032462 32O 3px 0.066714 0.053446 -0.066976 -0.196893 -0.330138 -0.017336 32O 3py 0.083028 -0.003110 -0.034274 -0.108049 -0.273090 -0.014648 32O 1dz2 -0.002422 -0.003696 -0.000034 -0.000382 0.001218 -0.000223 32O 1dxz 0.000960 0.003965 0.000446 -0.001263 -0.000538 -0.000179 32O 1dyz -0.001525 0.000904 0.002269 -0.001787 0.003179 0.000236 32O 1dx2y2 0.000846 0.001769 0.000936 -0.000759 -0.003001 -0.000730 32O 1dxy 0.001826 -0.001574 0.000788 -0.001801 -0.005332 -0.000549 32O 2dz2 0.012668 -0.004719 -0.010929 -0.004781 -0.014111 -0.003575 32O 2dxz 0.012205 0.029014 0.013668 -0.017001 -0.022662 0.006456 32O 2dyz 0.021458 0.014295 -0.016212 0.000392 -0.002420 -0.010569 32O 2dx2y2 -0.005277 0.004829 0.006090 -0.001754 0.001833 -0.000724 32O 2dxy -0.005524 -0.022950 -0.003858 0.019889 0.011348 -0.018619 32O 1f0 0.002252 0.001163 -0.001207 -0.004775 -0.008668 -0.000905 32O 1f+1 -0.001319 0.003858 0.003496 0.002369 0.003671 0.001310 32O 1f-1 0.006497 0.000972 -0.002439 -0.000816 -0.010018 -0.002159 32O 1f+2 -0.001648 -0.005437 0.001167 0.003379 0.003414 0.000302 32O 1f-2 -0.004104 -0.002750 0.001994 -0.002024 -0.005552 -0.001932 32O 1f+3 0.002743 0.002859 0.001385 0.000163 -0.002652 0.000351 32O 1f-3 0.003415 -0.000326 -0.001230 0.000498 -0.000236 0.001449 33O 1s -0.016226 -0.024587 0.007770 0.007984 0.027701 0.034203 33O 2s -0.061882 -0.085246 0.033140 0.030558 0.097710 0.116251 33O 3s 0.646863 0.648262 -0.421861 -0.350679 -0.807501 -0.811253 33O 4s -2.324130 -1.213287 1.701996 1.469112 1.879178 1.151899 33O 5s 1.026343 1.911551 -0.400565 0.882869 -2.122167 -2.582442 33O 1pz 0.045137 -0.192226 -0.048213 -0.052250 0.130567 0.034159 33O 1px 0.077323 -0.013253 -0.160192 0.036842 -0.063447 0.003671 33O 1py 0.058360 -0.084128 -0.051295 -0.060095 0.141072 -0.015553 33O 2pz -0.550008 0.459805 0.560658 0.464152 -0.104576 -0.299733 33O 2px 0.365212 0.008192 -0.125047 -0.520759 -0.012319 0.292528 33O 2py -0.205937 0.175688 0.176532 0.252658 -0.372393 0.022853 33O 3pz -0.136701 -0.426088 0.240432 0.219921 0.380190 0.062395 33O 3px -0.248084 -0.302608 -0.107795 -0.363734 0.410312 0.577916 33O 3py -0.168479 -0.425403 0.119503 0.032724 0.288335 0.170603 33O 1dz2 -0.002268 -0.001077 -0.001943 0.004818 -0.007757 -0.001112 33O 1dxz -0.001166 0.001822 0.009239 -0.008672 0.001749 -0.010084 33O 1dyz 0.009222 0.007218 -0.003575 -0.008915 0.004227 -0.006288 33O 1dx2y2 0.006378 0.002243 -0.007775 -0.000146 0.003006 0.005381 33O 1dxy 0.005679 -0.005750 -0.005998 -0.000574 -0.010318 -0.000494 33O 2dz2 -0.045184 0.075053 0.171911 -0.057500 0.101488 0.024708 33O 2dxz 0.073467 -0.029240 -0.112810 -0.041364 -0.054089 0.059848 33O 2dyz 0.050695 0.030776 0.001226 0.033967 -0.122352 0.012704 33O 2dx2y2 0.056802 -0.025017 -0.081109 0.028676 -0.045937 -0.114640 33O 2dxy 0.138021 0.012818 -0.074271 -0.165115 0.128713 -0.087497 33O 1f0 0.006658 -0.009380 -0.019532 0.001502 -0.012466 0.008400 33O 1f+1 0.006922 0.015683 0.004618 -0.021289 0.003591 0.017069 33O 1f-1 -0.018898 0.010250 0.011427 0.016581 0.006720 0.015073 33O 1f+2 -0.022694 0.003116 0.026280 0.008774 0.016976 -0.016423 33O 1f-2 0.001600 -0.004255 -0.009692 -0.002420 -0.016008 0.022720 33O 1f+3 -0.023041 0.008068 0.022369 0.023162 -0.007521 0.001209 33O 1f-3 -0.015141 0.003868 0.001716 0.016506 -0.013499 0.008909 34O 1s 0.003259 -0.020945 -0.015509 0.001036 -0.025652 0.035164 34O 2s 0.016185 -0.073962 -0.059100 0.007463 -0.087756 0.116484 34O 3s -0.253297 0.594485 0.540424 -0.147107 0.649294 -0.743520 34O 4s 1.118996 -1.299643 -1.432811 0.695190 -1.184583 0.697671 34O 5s -0.760827 1.332478 1.892547 0.007976 1.789633 -2.469942 34O 1pz -0.191672 -0.044133 -0.067788 -0.141751 -0.107413 0.088791 34O 1px 0.208134 -0.090191 -0.124323 0.104010 -0.017494 -0.065888 34O 1py 0.255919 0.086676 0.286257 0.125217 0.152585 0.031323 34O 2pz 0.430994 0.094579 0.151672 0.335726 0.260759 -0.205049 34O 2px -0.033875 0.121331 0.035900 0.073368 0.108370 -0.451708 34O 2py -0.728250 -0.157934 -0.635473 -0.389417 -0.361963 0.048397 34O 3pz 0.208111 -0.354709 -0.441905 0.002486 -0.362934 0.210168 34O 3px 0.023705 -0.203588 0.071552 0.331960 0.194584 -0.661615 34O 3py -0.190055 0.547866 0.700241 -0.127842 0.380687 -0.027746 34O 1dz2 0.008956 -0.002670 -0.014758 0.008053 0.003093 -0.011607 34O 1dxz 0.016343 0.001061 0.012204 0.003973 0.003168 0.001898 34O 1dyz 0.004197 -0.006393 -0.013105 0.004023 -0.003276 0.000941 34O 1dx2y2 -0.016337 -0.002593 0.004861 -0.007792 -0.005912 0.016598 34O 1dxy -0.004385 0.000175 -0.002218 -0.001298 0.002288 0.003108 34O 2dz2 0.029734 -0.003374 0.031660 -0.031030 -0.029785 0.062068 34O 2dxz 0.123723 -0.023132 -0.102557 0.162520 0.098964 -0.059341 34O 2dyz 0.036933 -0.053906 -0.085359 0.004701 -0.047675 0.049215 34O 2dx2y2 -0.087672 -0.010298 -0.137923 -0.018231 -0.014729 -0.174356 34O 2dxy -0.234630 -0.041218 -0.217175 -0.129509 -0.041377 -0.083747 34O 1f0 -0.011661 0.001492 -0.023788 0.004615 0.007023 -0.013914 34O 1f+1 -0.031283 -0.009618 -0.033054 -0.002729 0.004252 0.015853 34O 1f-1 0.005078 -0.000434 -0.003268 -0.000122 -0.003891 -0.021714 34O 1f+2 0.001508 0.009424 0.042006 -0.015594 -0.010313 -0.000743 34O 1f-2 -0.001871 0.010989 0.014438 -0.007238 -0.006051 -0.015741 34O 1f+3 -0.019627 -0.000558 -0.001408 -0.017589 -0.014068 0.012760 34O 1f-3 0.007920 -0.022522 -0.040400 0.013713 0.004083 -0.045448 35O 1s -0.010903 -0.016493 -0.006753 0.002746 0.018294 -0.026128 35O 2s -0.043018 -0.056905 -0.020016 0.009325 0.066624 -0.086290 35O 3s 0.452347 0.420327 0.080981 -0.098475 -0.563349 0.554024 35O 4s -1.447486 -0.743182 0.225538 0.343830 1.279657 -0.518286 35O 5s 1.440484 1.473320 -0.045950 0.457773 -1.680271 1.346475 35O 1pz 0.154505 -0.133840 -0.214509 -0.255831 0.180389 0.132216 35O 1px -0.246834 -0.009837 0.133898 0.078769 0.135468 0.080811 35O 1py 0.016001 -0.117806 -0.104032 -0.064018 0.110108 0.053031 35O 2pz -0.437291 0.309125 0.517617 0.670238 -0.399218 -0.294065 35O 2px 0.202614 0.101563 -0.099163 -0.064264 -0.230134 0.201070 35O 2py -0.227108 0.311404 0.326766 0.222638 -0.178089 0.050297 35O 3pz -0.489747 -0.404967 -0.004338 -0.059685 0.819891 0.121173 35O 3px 0.059375 0.114031 0.047900 0.405011 0.208973 0.422704 35O 3py -0.274633 -0.297187 0.032697 0.167095 0.556305 0.137813 35O 1dz2 -0.005265 0.002770 0.004113 0.003679 -0.004508 0.006435 35O 1dxz -0.007283 0.002332 0.010370 0.002198 -0.001355 -0.000013 35O 1dyz 0.004222 0.003876 -0.001047 0.002252 -0.007358 0.001564 35O 1dx2y2 0.019017 -0.001912 -0.009055 -0.009498 0.001174 -0.005613 35O 1dxy 0.010424 -0.001171 0.001194 0.009236 -0.014805 -0.011290 35O 2dz2 0.001308 0.026418 0.010257 0.040067 -0.020439 -0.078564 35O 2dxz -0.157185 0.046199 0.136039 0.200473 -0.115780 -0.166927 35O 2dyz -0.025814 0.048111 0.017111 0.136417 -0.118893 -0.049395 35O 2dx2y2 0.119453 -0.067389 -0.097444 -0.038362 -0.062183 0.082471 35O 2dxy -0.026391 0.082386 0.076946 -0.036847 0.078787 0.059981 35O 1f0 0.007712 0.002308 -0.001910 0.003253 -0.026969 -0.021053 35O 1f+1 0.013805 -0.014210 -0.009781 0.004589 -0.025472 -0.009962 35O 1f-1 0.001577 0.000892 0.004680 -0.004426 0.000265 -0.022195 35O 1f+2 -0.007800 -0.012693 -0.011171 0.010387 0.003451 0.031608 35O 1f-2 -0.005953 0.000806 0.010471 -0.015503 0.035187 0.013043 35O 1f+3 -0.000294 -0.014843 -0.008268 0.025550 -0.017761 -0.003652 35O 1f-3 0.027437 0.004085 -0.012688 -0.039767 0.025613 -0.013698 534 535 536 537 538 539 3.43319 3.44196 3.44356 3.45689 3.46986 3.48069 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s 0.000067 -0.002687 -0.001169 0.000716 -0.000074 -0.000328 0Rh 2s -0.004783 0.020740 0.002512 -0.006733 0.000972 0.001353 0Rh 3s -0.002495 -0.003440 -0.005439 0.000194 0.000150 -0.001135 0Rh 4s 0.025456 -0.112310 -0.014442 0.036553 -0.005203 -0.007464 0Rh 5s -0.068702 0.232150 0.007947 -0.082764 0.011806 0.010961 0Rh 6s 0.116380 -0.152490 0.086167 0.090364 -0.011648 0.013201 0Rh 7s -0.655407 0.073294 -0.801963 -0.311729 0.081152 -0.245934 0Rh 8s -0.016977 0.179271 -0.124955 0.017856 -0.010395 -0.014145 0Rh 1pz 0.011464 0.002914 -0.000614 0.010503 -0.002876 0.000264 0Rh 1px -0.003495 0.001074 -0.009336 0.004511 -0.002518 -0.002126 0Rh 1py 0.010080 0.003531 -0.005234 -0.008328 0.003164 -0.001511 0Rh 2pz -0.043071 -0.011504 0.002420 -0.039593 0.011342 -0.001206 0Rh 2px 0.012666 -0.003783 0.034625 -0.017255 0.009811 0.007814 0Rh 2py -0.038254 -0.013691 0.019449 0.031442 -0.012440 0.005500 0Rh 3pz 0.068782 0.031989 -0.006300 0.065781 -0.030834 0.006704 0Rh 3px -0.009938 0.001190 -0.045181 0.034357 -0.023633 -0.008346 0Rh 3py 0.069586 0.031973 -0.025946 -0.053274 0.033465 -0.004816 0Rh 4pz 0.062251 -0.052373 0.007873 0.046653 0.046916 -0.020127 0Rh 4px -0.066374 0.022738 -0.097693 -0.007100 0.023609 -0.031599 0Rh 4py 0.016292 -0.030730 -0.052995 -0.032361 -0.051828 -0.025866 0Rh 5pz -0.224177 0.093371 -0.023617 -0.182737 -0.087021 0.035957 0Rh 5px 0.188115 -0.034418 0.305095 -0.005959 -0.025413 0.093648 0Rh 5py -0.110434 0.045707 0.152622 0.131408 0.094041 0.064610 0Rh 6pz 0.272691 0.153905 0.295005 0.143891 0.000150 0.226784 0Rh 6px -0.564609 -0.238801 -0.681220 -0.332696 -0.259265 -0.206823 0Rh 6py 0.155177 0.000882 0.110790 0.131850 0.154372 0.122464 0Rh 1dz2 0.013829 0.007238 -0.017141 -0.010673 -0.013910 0.014279 0Rh 1dxz -0.005546 -0.028285 -0.012563 -0.014689 0.009213 0.017789 0Rh 1dyz -0.007923 0.003597 -0.000653 0.001960 -0.033162 -0.006928 0Rh 1dx2y2 0.014367 0.016504 0.001344 -0.012495 0.009316 0.016350 0Rh 1dxy 0.005383 -0.002853 0.017942 0.006389 -0.023075 0.014190 0Rh 2dz2 0.002878 0.003347 -0.000355 -0.001572 0.001129 -0.002557 0Rh 2dxz -0.001248 -0.003125 -0.000102 -0.002989 0.001646 0.003144 0Rh 2dyz -0.001186 0.002196 0.001173 -0.001419 0.004597 -0.012420 0Rh 2dx2y2 0.000967 -0.000079 -0.002537 -0.002059 0.003493 0.000357 0Rh 2dxy -0.000467 -0.001708 0.002941 0.001366 -0.000795 -0.002680 0Rh 3dz2 -0.059952 -0.039768 0.059521 0.043420 0.041971 -0.037018 0Rh 3dxz 0.024328 0.110096 0.042916 0.063472 -0.038891 -0.075199 0Rh 3dyz 0.032129 -0.022316 -0.003364 -0.000223 0.091442 0.080577 0Rh 3dx2y2 -0.052849 -0.055733 0.007163 0.051902 -0.047772 -0.057452 0Rh 3dxy -0.016016 0.017440 -0.074090 -0.027823 0.081875 -0.036179 0Rh 4dz2 0.073825 0.065801 -0.043821 -0.046888 -0.017913 0.000379 0Rh 4dxz -0.031093 -0.111353 -0.030712 -0.078037 0.046684 0.090212 0Rh 4dyz -0.035068 0.044188 0.018762 -0.014656 -0.012779 -0.190719 0Rh 4dx2y2 0.046232 0.040151 -0.033189 -0.060072 0.074777 0.046593 0Rh 4dxy 0.005012 -0.031450 0.085303 0.035201 -0.065716 -0.000386 0Rh 5dz2 -0.055838 -0.147107 -0.060803 -0.024485 -0.022555 0.048035 0Rh 5dxz 0.055271 -0.009576 -0.038135 0.066387 -0.054048 -0.054337 0Rh 5dyz 0.015811 -0.169417 -0.090044 0.028287 -0.185709 0.171536 0Rh 5dx2y2 0.020805 0.071194 0.071803 0.046428 -0.102082 0.003233 0Rh 5dxy 0.061105 0.068400 -0.080197 -0.057894 -0.010745 0.038232 0Rh 1f0 -0.015819 -0.020044 -0.001341 0.024247 -0.002626 0.016545 0Rh 1f+1 -0.010248 0.011553 0.020533 -0.013202 -0.000287 -0.023641 0Rh 1f-1 -0.041673 -0.007139 0.019347 -0.007507 -0.004029 0.025078 0Rh 1f+2 0.027265 0.034183 -0.004669 0.038282 0.000359 0.015214 0Rh 1f-2 -0.027027 0.018935 0.022743 0.022465 -0.004959 -0.041659 0Rh 1f+3 0.003721 0.022579 0.014636 -0.027250 0.007769 0.009689 0Rh 1f-3 -0.011309 0.008029 0.001348 0.011712 -0.000324 0.026524 1Rh 1s 0.000272 0.002932 -0.000322 0.000747 0.000071 -0.000306 1Rh 2s -0.006229 -0.020399 -0.003664 -0.006842 -0.000922 0.001084 1Rh 3s -0.002147 0.005105 -0.004131 0.000311 -0.000136 -0.001166 1Rh 4s 0.033301 0.110756 0.019052 0.037159 0.004946 -0.006014 1Rh 5s -0.084429 -0.221479 -0.060054 -0.083606 -0.011258 0.007576 1Rh 6s 0.124716 0.114449 0.125630 0.089227 0.011346 0.017101 1Rh 7s -0.642697 0.202812 -0.779529 -0.299128 -0.085119 -0.253765 1Rh 8s -0.031521 -0.130274 -0.170516 0.006459 0.013952 -0.013293 1Rh 1pz -0.011254 0.002804 0.001391 -0.010741 -0.003317 -0.000412 1Rh 1px 0.003553 -0.002240 0.009152 -0.004443 -0.002655 0.001923 1Rh 1py -0.009990 0.002521 0.006153 0.008130 0.002873 0.001504 1Rh 2pz 0.042237 -0.011031 -0.005475 0.040519 0.012992 0.001777 1Rh 2px -0.012885 0.008499 -0.033882 0.017000 0.010327 -0.007023 1Rh 2py 0.037901 -0.009967 -0.023045 -0.030662 -0.011337 -0.005484 1Rh 3pz -0.066381 0.029832 0.014583 -0.068020 -0.033268 -0.007923 1Rh 3px 0.010328 -0.014711 0.043002 -0.033989 -0.024500 0.006513 1Rh 3py -0.068740 0.027642 0.035123 0.051167 0.031528 0.005141 1Rh 4pz -0.066442 -0.046326 -0.020754 -0.044193 0.043511 0.020591 1Rh 4px 0.066112 -0.012221 0.099760 0.007748 0.023061 0.033018 1Rh 4py -0.016877 -0.043683 0.041069 0.035533 -0.052620 0.023775 1Rh 5pz 0.232014 0.077550 0.045218 0.179111 -0.076385 -0.035077 1Rh 5px -0.186186 0.072812 -0.300379 0.003830 -0.023594 -0.095123 1Rh 5py 0.110148 0.080703 -0.131848 -0.137076 0.098103 -0.059223 1Rh 6pz -0.274981 0.247476 -0.222387 -0.158631 0.006199 -0.261111 1Rh 6px 0.537504 -0.453740 0.572889 0.340529 -0.247692 0.222192 1Rh 6py -0.128158 0.035455 -0.110085 -0.137337 0.143428 -0.139432 1Rh 1dz2 0.014492 -0.003186 -0.019466 -0.010159 0.013048 0.014951 1Rh 1dxz -0.002910 0.030516 -0.004043 -0.014874 -0.010773 0.018085 1Rh 1dyz -0.006652 -0.002436 -0.003133 0.001306 0.033458 -0.005411 1Rh 1dx2y2 0.014635 -0.017746 -0.004293 -0.012735 -0.010671 0.016166 1Rh 1dxy 0.004784 -0.002748 0.017241 0.005508 0.022735 0.016049 1Rh 2dz2 0.002630 -0.003305 -0.001383 -0.001388 -0.001048 -0.002387 1Rh 2dxz -0.000955 0.002943 0.000719 -0.003167 -0.001951 0.003188 1Rh 2dyz -0.001476 -0.002286 0.000438 -0.001180 -0.004155 -0.012067 1Rh 2dx2y2 0.001214 0.000706 -0.002466 -0.001910 -0.003598 0.000316 1Rh 2dxy -0.000663 0.000883 0.003285 0.001367 0.000910 -0.002282 1Rh 3dz2 -0.061046 0.025909 0.072092 0.040838 -0.039405 -0.040114 1Rh 3dxz 0.014073 -0.116776 0.010299 0.064917 0.045603 -0.076399 1Rh 3dyz 0.029204 0.018859 0.008428 0.000883 -0.094476 0.073745 1Rh 3dx2y2 -0.054862 0.057018 0.025983 0.052012 0.052865 -0.056647 1Rh 3dxy -0.013101 0.005260 -0.073289 -0.024844 -0.081248 -0.044336 1Rh 4dz2 0.071579 -0.056103 -0.064496 -0.043039 0.016898 0.005017 1Rh 4dxz -0.020707 0.113875 0.001186 -0.081161 -0.054981 0.091344 1Rh 4dyz -0.036833 -0.043568 0.000702 -0.012449 0.019711 -0.180944 1Rh 4dx2y2 0.050285 -0.033929 -0.046207 -0.058140 -0.079581 0.045666 1Rh 4dxy 0.000936 0.006202 0.088569 0.033197 0.066474 0.009977 1Rh 5dz2 -0.040962 0.159694 -0.011544 -0.028688 0.019341 0.034459 1Rh 5dxz 0.055097 0.020796 -0.032183 0.074380 0.061302 -0.051395 1Rh 5dyz 0.033865 0.185761 -0.029269 0.014092 0.179736 0.145751 1Rh 5dx2y2 0.010533 -0.089349 0.048851 0.035504 0.102294 0.002680 1Rh 5dxy 0.061601 -0.047765 -0.095292 -0.060876 0.008997 0.026914 1Rh 1f0 0.014637 -0.021108 -0.004972 -0.024582 -0.001909 -0.016878 1Rh 1f+1 0.010720 0.017020 -0.015289 0.013630 -0.000843 0.022857 1Rh 1f-1 0.043024 -0.002354 -0.020969 0.008031 -0.001647 -0.025900 1Rh 1f+2 -0.024706 0.031361 0.013855 -0.038375 -0.000554 -0.014522 1Rh 1f-2 0.028453 0.022190 -0.015732 -0.022708 -0.006157 0.040625 1Rh 1f+3 -0.002596 0.027222 -0.006806 0.027882 0.008363 -0.009570 1Rh 1f-3 0.013466 0.007583 0.000321 -0.011099 0.001020 -0.026694 2C 1s -0.011407 0.007758 0.002608 -0.003674 -0.001730 0.002816 2C 2s -0.028926 0.020698 0.005825 -0.009255 -0.006869 0.010434 2C 3s -0.269928 -0.022862 0.064703 -0.090323 0.126993 -0.172331 2C 4s 2.619379 -0.949895 0.355787 0.656044 -0.421560 0.361482 2C 5s -0.171639 -1.643739 0.840723 -0.820087 0.898066 -3.666078 2C 1pz 0.027978 -0.095181 0.038095 -0.014270 -0.041757 -0.030926 2C 1px -0.008636 0.013517 0.097723 -0.023201 0.070474 -0.112363 2C 1py -0.053571 0.028337 -0.041438 0.006931 0.082081 0.010138 2C 2pz 0.731946 -0.022079 0.661587 0.186974 0.054157 0.472770 2C 2px 0.001467 0.186237 -0.534244 0.163795 -0.067598 0.318481 2C 2py 0.799786 -0.451422 0.749962 0.037438 -0.595968 0.121116 2C 3pz 0.189926 -0.397519 0.152404 -0.099256 0.199985 -0.808099 2C 3px -0.031598 -0.065013 -0.108643 -0.020070 -0.185166 -0.088438 2C 3py 0.132412 -0.297060 0.164070 -0.096035 0.239367 -0.553787 2C 1dz2 -0.046624 0.027850 -0.119670 0.009297 0.126022 0.094661 2C 1dxz -0.070636 0.004927 -0.053310 -0.004947 -0.063708 0.229677 2C 1dyz 0.000172 -0.047483 0.161154 -0.035520 -0.029125 -0.097696 2C 1dx2y2 -0.035484 0.093747 -0.041546 0.011529 0.241641 -0.058833 2C 1dxy 0.031508 -0.079489 0.122643 -0.030416 -0.081133 0.007816 2C 2dz2 0.061329 0.163986 0.316473 0.046727 0.143626 0.033990 2C 2dxz 0.336622 -0.269537 0.208752 0.055829 -0.051741 -0.279970 2C 2dyz 0.212690 0.075132 0.157737 0.062207 -0.210068 0.339005 2C 2dx2y2 -0.252675 0.168353 -0.358801 0.020016 -0.213224 0.212060 2C 2dxy -0.043863 0.174731 -0.475582 0.127830 0.124924 0.263133 2C 1f0 0.012567 -0.022754 0.161528 -0.032400 -0.080268 -0.019845 2C 1f+1 0.086187 -0.132504 0.054713 -0.026873 -0.126533 0.107237 2C 1f-1 0.045964 0.106436 0.038523 0.048755 0.122401 -0.064559 2C 1f+2 0.010015 -0.002645 -0.033716 0.009733 0.089194 -0.061253 2C 1f-2 0.217991 -0.150100 -0.088413 0.087317 0.033098 -0.004079 2C 1f+3 -0.046188 0.035328 0.075673 -0.006634 -0.024018 -0.004735 2C 1f-3 0.095597 -0.040125 -0.001824 0.055573 0.088492 0.043843 3C 1s 0.000633 0.000912 -0.003878 -0.010682 -0.002387 -0.000966 3C 2s 0.000840 -0.000467 -0.010283 -0.026864 -0.006919 -0.004913 3C 3s 0.045951 0.178470 -0.065619 -0.233546 0.108334 0.121521 3C 4s 0.107397 -1.040249 1.305774 1.913509 -0.034644 0.078184 3C 5s 0.082790 0.712250 0.362974 -0.411672 1.906853 3.723817 3C 1pz -0.009271 0.018508 -0.041198 -0.009797 0.002872 -0.076435 3C 1px 0.028252 0.099919 -0.005928 -0.034900 -0.011027 0.045680 3C 1py -0.012405 0.025447 -0.050803 -0.000613 -0.076842 -0.064972 3C 2pz 0.354117 -0.686004 0.843418 0.168074 0.233238 0.481652 3C 2px 0.005307 -0.335786 0.093283 0.301714 -0.012178 -0.160642 3C 2py -0.266557 0.166573 -0.564553 -0.268822 0.305348 0.144270 3C 3pz 0.033851 0.240852 0.152613 0.031250 0.182221 0.550814 3C 3px -0.009755 0.000519 0.013829 0.036558 0.281321 0.270824 3C 3py 0.026307 -0.065730 -0.125141 -0.112404 -0.374025 -0.768693 3C 1dz2 0.006018 -0.073904 -0.012012 0.008916 -0.030661 0.055944 3C 1dxz -0.009989 -0.197669 0.060178 -0.042638 0.103641 0.014513 3C 1dyz -0.039669 0.005577 -0.071628 0.017700 -0.013404 -0.156300 3C 1dx2y2 0.001231 -0.006905 0.049106 0.002755 0.011579 0.165915 3C 1dxy -0.024307 0.039837 -0.020172 0.095109 -0.060742 0.039665 3C 2dz2 0.079123 -0.133815 0.231475 -0.050758 0.239501 0.319305 3C 2dxz 0.088093 0.037819 0.201209 0.184115 -0.052399 0.102577 3C 2dyz -0.043345 0.069154 -0.034508 0.017349 0.176101 0.324929 3C 2dx2y2 -0.222431 -0.040338 -0.344303 0.072637 0.046941 -0.390481 3C 2dxy -0.066151 0.220901 -0.189607 -0.215442 -0.017925 -0.095737 3C 1f0 -0.027624 -0.111203 -0.003041 -0.022715 0.115273 -0.067759 3C 1f+1 -0.027577 -0.004838 0.053413 0.164057 0.012317 -0.000999 3C 1f-1 -0.020612 -0.113553 0.084894 0.092147 0.041271 0.034913 3C 1f+2 -0.003408 -0.098548 0.015660 -0.095142 0.035608 -0.020398 3C 1f-2 -0.011816 0.123200 -0.058475 0.003527 -0.032090 0.034811 3C 1f+3 0.028177 -0.050621 0.093826 0.148340 -0.032100 -0.023365 3C 1f-3 -0.068462 0.044951 -0.059734 0.176124 -0.078603 -0.046685 4C 1s -0.003213 0.002355 0.002802 0.000211 0.001295 -0.001116 4C 2s -0.009186 0.004955 0.009645 -0.000021 0.005229 -0.005006 4C 3s 0.042596 0.409609 -0.461611 0.143673 -0.111203 0.414781 4C 4s -0.003459 -2.291258 1.525355 -0.634406 0.262511 -1.641953 4C 5s 0.247385 -0.276051 -0.184434 -0.150945 -0.506400 -0.798517 4C 1pz -0.079586 0.082092 -0.078595 0.012547 0.107503 -0.054950 4C 1px -0.300944 0.186675 0.084500 -0.073599 -0.001197 0.028628 4C 1py -0.068237 0.038513 0.036220 -0.036533 -0.029754 -0.048868 4C 2pz 1.028414 -0.658363 1.236363 0.025211 -0.445268 0.328863 4C 2px 2.002609 -1.219389 -0.892610 0.581395 -0.274005 0.039312 4C 2py 0.950018 -0.526990 0.398686 0.249338 -0.005419 0.232317 4C 3pz 0.421862 -1.854825 0.581793 -0.759047 0.713354 -3.967700 4C 3px 0.460818 -0.520340 0.099350 -0.053246 0.589277 -0.653765 4C 3py 0.513949 -1.361590 0.366445 -0.433070 0.109950 -2.666701 4C 1dz2 0.140633 -0.144487 0.097811 -0.027431 -0.218562 -0.056706 4C 1dxz 0.147655 -0.080510 0.159071 -0.019278 -0.019704 -0.128053 4C 1dyz 0.027641 0.045579 -0.025137 0.050380 0.061804 0.120489 4C 1dx2y2 0.025776 -0.077968 0.001570 -0.031867 -0.237980 0.158244 4C 1dxy 0.009402 0.029523 -0.052685 0.012277 0.020934 0.125338 4C 2dz2 -1.180809 1.029981 -0.391178 -0.159229 0.534039 0.114761 4C 2dxz 0.230570 -0.007689 -1.648131 0.413376 -0.233065 0.491678 4C 2dyz -0.563585 0.118842 -0.269088 -0.193463 -0.054119 -0.348308 4C 2dx2y2 0.760898 -0.824151 0.878201 0.008813 0.271291 -0.565317 4C 2dxy 0.710186 -0.790052 -0.393496 0.142700 -0.210204 -0.226741 4C 1f0 -0.005557 0.043215 -0.031706 -0.006293 -0.075862 -0.038890 4C 1f+1 -0.003297 0.010438 0.058966 0.008182 -0.040234 -0.083738 4C 1f-1 -0.052313 0.031680 0.090288 -0.022232 -0.047591 0.026284 4C 1f+2 -0.071632 -0.127055 0.350197 -0.128526 -0.156274 -0.060125 4C 1f-2 0.445146 -0.263724 -0.269264 0.125395 -0.037963 0.013592 4C 1f+3 -0.367051 0.188105 0.113322 -0.087458 0.168577 0.072771 4C 1f-3 -0.319773 0.263369 -0.095450 -0.053526 0.050461 0.093604 5C 1s 0.003427 0.002239 0.000187 -0.003193 -0.002426 0.002025 5C 2s 0.010424 0.007780 0.002010 -0.009834 -0.004602 0.007800 5C 3s -0.237795 -0.053208 -0.312780 0.219239 -0.422255 -0.572330 5C 4s 0.751032 -0.058942 1.345708 -0.664539 2.434764 2.270235 5C 5s -0.249839 -0.562253 0.068232 0.362831 0.221825 0.991937 5C 1pz -0.019998 -0.030036 0.021363 0.076805 0.009672 0.047113 5C 1px 0.039599 0.089009 -0.079069 -0.242570 0.002534 0.006148 5C 1py 0.012445 -0.137757 0.106289 0.067243 0.067050 0.004386 5C 2pz 0.433914 0.046522 0.485271 -0.449749 0.000846 0.167200 5C 2px -0.251927 -0.804248 0.561709 1.772397 0.207105 -0.024894 5C 2py -0.439103 0.853036 -1.266624 -0.571532 -0.430033 -0.342680 5C 3pz -0.106206 -0.155594 0.278196 0.243777 1.328291 2.422773 5C 3px -0.148507 -0.042579 0.305149 0.332068 0.428966 1.461596 5C 3py 0.150109 -0.514018 -0.523544 -0.236314 -1.999633 -4.025849 5C 1dz2 0.025614 0.236900 -0.072817 -0.044062 -0.067877 0.070065 5C 1dxz 0.011370 0.159513 -0.017180 0.012403 -0.097317 0.055302 5C 1dyz -0.001494 -0.046300 0.033953 -0.008782 0.037866 0.160912 5C 1dx2y2 -0.038834 0.119168 -0.123840 -0.080471 -0.091837 -0.203752 5C 1dxy -0.025867 0.023570 -0.079079 -0.041430 0.028187 -0.055769 5C 2dz2 -0.009633 -0.063097 -0.195928 -0.401565 -0.276065 -0.316758 5C 2dxz -0.395281 -0.205705 -0.644682 0.326140 -0.208564 -0.739846 5C 2dyz -0.036866 -0.251542 0.181535 0.679954 -0.176916 -0.460476 5C 2dx2y2 0.365624 -0.806984 1.190325 0.744199 0.771996 0.941748 5C 2dxy 0.527240 0.310815 0.490329 -0.745608 0.011725 0.488480 5C 1f0 -0.092043 -0.086582 -0.003092 0.253966 0.025045 0.030413 5C 1f+1 -0.048546 0.101121 -0.153404 -0.035916 -0.115217 -0.190969 5C 1f-1 -0.048048 -0.224681 0.134592 0.321955 0.112242 0.090528 5C 1f+2 0.101751 0.107166 -0.020376 -0.323000 -0.102943 0.039599 5C 1f-2 0.116272 -0.037193 0.082991 -0.377764 0.098494 0.154378 5C 1f+3 0.019326 -0.034104 0.014270 -0.104210 -0.071691 0.034601 5C 1f-3 -0.042982 -0.142488 0.145058 0.253072 0.105776 -0.005565 6C 1s 0.003179 -0.002476 -0.000461 -0.003210 0.002323 0.002106 6C 2s 0.009698 -0.008933 -0.000373 -0.009772 0.004235 0.007964 6C 3s -0.259207 0.173252 -0.268398 0.213202 0.447142 -0.551401 6C 4s 0.872579 -0.444892 1.228956 -0.634197 -2.531070 2.158057 6C 5s -0.180810 0.541798 0.207574 0.339218 -0.251856 0.960557 6C 1pz 0.016081 -0.026278 -0.028258 -0.077257 0.010383 -0.050237 6C 1px -0.026399 0.071908 0.098136 0.246253 0.004868 -0.001155 6C 1py -0.027784 -0.100417 -0.139663 -0.061660 0.065723 -0.001542 6C 2pz -0.434260 0.237223 -0.447954 0.459158 0.009996 -0.149421 6C 2px 0.167435 -0.678489 -0.759064 -1.811412 0.184806 -0.001124 6C 2py 0.538693 0.412208 1.439530 0.541060 -0.423949 0.319912 6C 3pz 0.052243 -0.047165 -0.283126 -0.261068 1.417552 -2.396612 6C 3px 0.080195 0.048470 -0.268232 -0.347244 0.486691 -1.439865 6C 3py -0.095007 -0.685781 0.308395 0.305840 -2.156051 3.950446 6C 1dz2 0.003804 -0.208715 -0.137027 -0.031663 0.063992 0.074504 6C 1dxz -0.000103 -0.149734 -0.065069 0.017997 0.094841 0.057793 6C 1dyz 0.009208 0.032638 0.042997 -0.012872 -0.045030 0.160783 6C 1dx2y2 -0.051963 -0.074673 -0.152103 -0.078888 0.097693 -0.205047 6C 1dxy -0.033542 0.001887 -0.080401 -0.038245 -0.025830 -0.055601 6C 2dz2 -0.018822 0.111254 -0.160419 -0.429774 0.280970 -0.313089 6C 2dxz -0.412877 0.443499 -0.538206 0.332240 0.243463 -0.722691 6C 2dyz -0.033960 0.216497 0.254072 0.694418 0.207084 -0.441075 6C 2dx2y2 0.471950 0.403489 1.347727 0.756634 -0.793856 0.924812 6C 2dxy 0.525122 -0.517386 0.366541 -0.773237 -0.038491 0.465200 6C 1f0 0.084707 -0.097708 -0.023910 -0.255802 0.024680 -0.038880 6C 1f+1 0.064117 0.050438 0.175700 0.042581 -0.126376 0.191791 6C 1f-1 0.021338 -0.185834 -0.189208 -0.317103 0.110664 -0.091385 6C 1f+2 -0.093077 0.110728 0.051625 0.322000 -0.096399 -0.035733 6C 1f-2 -0.123457 0.011121 -0.089253 0.392014 0.108807 -0.142335 6C 1f+3 -0.022653 -0.025811 -0.025318 0.110389 -0.067705 -0.039131 6C 1f-3 0.020206 -0.100710 -0.174762 -0.250757 0.101371 0.009791 7C 1s -0.003286 -0.002892 0.001986 0.000271 -0.001314 -0.001302 7C 2s -0.009222 -0.007096 0.007744 0.000043 -0.005198 -0.005642 7C 3s 0.026815 -0.248891 -0.548513 0.167752 0.101790 0.398764 7C 4s 0.087988 1.703118 2.065887 -0.763986 -0.223394 -1.534401 7C 5s 0.215619 0.313958 -0.118008 -0.157071 0.524647 -0.678848 7C 1pz 0.074004 0.047621 0.097570 -0.017205 0.104485 0.066648 7C 1px 0.307164 0.189963 -0.022185 0.072798 0.009530 -0.029305 7C 1py 0.072469 0.046127 -0.024135 0.038979 -0.031195 0.051835 7C 2pz -0.997315 -0.178220 -1.363455 0.001859 -0.428028 -0.398955 7C 2px -2.062908 -1.348235 0.485870 -0.584888 -0.336215 -0.030325 7C 2py -0.982833 -0.346467 -0.530817 -0.254974 -0.014059 -0.258290 7C 3pz -0.562519 -1.576922 -1.065462 0.859439 0.569453 3.972630 7C 3px -0.475195 -0.444663 -0.249438 0.049784 0.553096 0.642538 7C 3py -0.579376 -1.167463 -0.752033 0.506329 0.009097 2.654888 7C 1dz2 0.138537 0.098657 0.139079 -0.037182 0.225399 -0.053423 7C 1dxz 0.142002 0.021155 0.180611 -0.023818 0.029093 -0.126590 7C 1dyz 0.030950 -0.035288 -0.038338 0.056054 -0.064440 0.120338 7C 1dx2y2 0.015831 0.070761 0.025671 -0.040439 0.234566 0.172982 7C 1dxy 0.003723 -0.014197 -0.059218 0.014595 -0.026856 0.132348 7C 2dz2 -1.207782 -0.806028 -0.668795 -0.132388 -0.570319 0.088664 7C 2dxz 0.267027 0.514222 -1.564169 0.441906 0.246137 0.465846 7C 2dyz -0.570347 -0.001955 -0.294661 -0.203976 0.057698 -0.346999 7C 2dx2y2 0.790388 0.473620 1.068423 -0.014711 -0.247438 -0.546868 7C 2dxy 0.762843 0.844615 -0.153598 0.131557 0.242147 -0.220640 7C 1f0 0.006736 0.031841 0.042878 0.006945 -0.079038 0.044552 7C 1f+1 0.005018 0.020248 -0.059434 -0.007470 -0.053010 0.089289 7C 1f-1 0.056050 0.055392 -0.080533 0.025612 -0.047152 -0.027089 7C 1f+2 0.090774 -0.010255 -0.370358 0.143731 -0.154245 0.035907 7C 1f-2 -0.451763 -0.306579 0.171383 -0.123197 -0.049118 -0.011410 7C 1f+3 0.365463 0.192682 -0.045671 0.079432 0.184065 -0.078206 7C 1f-3 0.338524 0.216599 0.165833 0.048134 0.069602 -0.088483 8C 1s 0.000366 -0.000025 -0.003840 -0.010973 0.002268 -0.001324 8C 2s 0.000355 0.002808 -0.009324 -0.027786 0.006721 -0.005898 8C 3s 0.037358 -0.161746 -0.118170 -0.227720 -0.118091 0.116455 8C 4s 0.201717 0.643840 1.543763 1.909401 0.069085 0.114647 8C 5s 0.112036 -0.859022 0.098955 -0.346332 -2.061834 3.657587 8C 1pz 0.012067 0.004845 0.045400 0.007757 -0.000044 0.078440 8C 1px -0.022856 0.099140 0.036582 0.033010 -0.008472 -0.048364 8C 1py 0.018454 0.008434 0.054552 0.000961 -0.080126 0.062760 8C 2pz -0.432870 -0.377358 -0.992133 -0.138673 0.246152 -0.468164 8C 2px -0.012254 -0.307358 -0.190103 -0.303118 -0.031254 0.156874 8C 2py 0.276343 -0.022088 0.593396 0.261240 0.318269 -0.141038 8C 3pz -0.035932 0.285350 -0.071053 -0.049442 0.206004 -0.540760 8C 3px 0.013013 0.005958 -0.017025 -0.044238 0.290855 -0.260499 8C 3py -0.014545 -0.107427 0.089979 0.126101 -0.402165 0.766061 8C 1dz2 0.008908 0.077409 0.010498 0.005316 0.027392 0.062504 8C 1dxz 0.004544 0.173224 0.119736 -0.049279 -0.107107 0.008172 8C 1dyz -0.045691 0.020692 -0.067907 0.019864 0.020617 -0.161597 8C 1dx2y2 0.004070 -0.008171 0.051346 0.001790 -0.019906 0.172756 8C 1dxy -0.029366 -0.028266 -0.029503 0.098221 0.061766 0.047539 8C 2dz2 0.109031 0.045444 0.255008 -0.056678 -0.252963 0.308756 8C 2dxz 0.093703 -0.103296 0.169514 0.189750 0.055557 0.103860 8C 2dyz -0.036828 -0.056156 -0.060045 0.026873 -0.190978 0.329468 8C 2dx2y2 -0.230154 0.164166 -0.313076 0.075606 -0.030261 -0.395217 8C 2dxy -0.079004 -0.158831 -0.251467 -0.218256 0.016082 -0.105044 8C 1f0 0.016262 -0.107941 -0.028240 0.023145 0.112099 0.077716 8C 1f+1 0.020001 0.007797 -0.047386 -0.161158 0.010825 -0.001961 8C 1f-1 0.005492 -0.087301 -0.112144 -0.092190 0.041937 -0.036480 8C 1f+2 -0.006559 -0.090020 -0.043740 0.101793 0.037384 0.028378 8C 1f-2 0.019235 0.100978 0.093727 -0.001442 -0.029740 -0.039368 8C 1f+3 -0.036480 -0.024073 -0.100800 -0.146134 -0.036188 0.020950 8C 1f-3 0.070202 0.015357 0.073048 -0.181177 -0.082865 0.037997 9C 1s -0.012025 -0.007691 -0.000056 -0.003547 0.001324 0.003419 9C 2s -0.030771 -0.020280 -0.001253 -0.008876 0.005668 0.012299 9C 3s -0.262079 0.015284 0.065669 -0.097775 -0.125757 -0.178771 9C 4s 2.637824 0.667740 0.642653 0.664731 0.456786 0.361761 9C 5s -0.035527 1.324454 1.266257 -0.923421 -0.772783 -3.701433 9C 1pz -0.030655 -0.077880 -0.063253 0.019716 -0.045871 0.026119 9C 1px 0.007698 0.042914 -0.093502 0.024874 0.066400 0.123547 9C 1py 0.050895 0.012372 0.048880 -0.009325 0.086912 -0.006247 9C 2pz -0.716657 0.218817 -0.639266 -0.204129 0.073880 -0.491739 9C 2px -0.011414 0.011051 0.570731 -0.184539 -0.058741 -0.301183 9C 2py -0.775999 -0.152295 -0.840603 -0.022958 -0.607361 -0.165573 9C 3pz -0.220109 -0.322330 -0.266863 0.117400 0.167320 0.822660 9C 3px 0.022677 -0.096957 0.093149 0.029276 -0.187086 0.079461 9C 3py -0.165121 -0.232083 -0.238502 0.110525 0.212656 0.574067 9C 1dz2 -0.044134 0.007158 -0.129879 0.014807 -0.138475 0.092219 9C 1dxz -0.074844 0.013185 -0.066099 -0.003125 0.048120 0.254907 9C 1dyz -0.004830 -0.003698 0.168998 -0.040597 0.033236 -0.094413 9C 1dx2y2 -0.032892 -0.079753 -0.069983 0.019841 -0.247388 -0.081561 9C 1dxy 0.031296 0.035813 0.140457 -0.037424 0.079669 0.012509 9C 2dz2 0.050573 -0.252980 0.255607 0.056026 -0.146705 0.031578 9C 2dxz 0.351320 0.181845 0.287158 0.048726 0.075928 -0.295909 9C 2dyz 0.203727 -0.131113 0.131945 0.068445 0.202478 0.346975 9C 2dx2y2 -0.251435 -0.028480 -0.384979 0.021032 0.213789 0.222741 9C 2dxy -0.039181 -0.020210 -0.511340 0.147367 -0.135288 0.257174 9C 1f0 -0.011035 0.025316 -0.160027 0.037270 -0.081902 0.016662 9C 1f+1 -0.085312 -0.104866 -0.086937 0.031197 -0.124612 -0.126964 9C 1f-1 -0.045589 0.116202 -0.012857 -0.053171 0.116244 0.086911 9C 1f+2 0.000378 -0.008914 0.027142 -0.007133 0.081966 0.065309 9C 1f-2 -0.220909 -0.160446 0.036099 -0.087826 0.027251 0.004803 9C 1f+3 0.047030 0.051071 -0.063619 0.007428 -0.030493 0.004060 9C 1f-3 -0.081695 -0.026520 -0.011512 -0.053414 0.087815 -0.050425 10H 1s -0.024345 0.032020 0.094115 -0.012787 0.136897 -0.167206 10H 2s 0.017548 -0.204822 0.516697 -0.119898 -0.067319 -0.022835 10H 3s 0.119099 0.105654 -0.048299 0.077824 0.072765 0.081766 10H 1pz -0.036073 -0.058911 0.121711 -0.051918 -0.070862 0.092112 10H 1px 0.080098 0.025624 -0.103149 0.042095 0.102917 -0.106548 10H 1py 0.100194 -0.101984 0.135888 0.005607 0.008806 -0.058265 11H 1s -0.099359 0.105437 -0.147705 0.018049 0.021466 0.188488 11H 2s -0.529467 0.470250 -0.120365 -0.077412 0.203466 0.179206 11H 3s 0.172866 -0.009330 -0.133281 0.099029 -0.134671 0.205353 11H 1pz -0.176309 0.184899 -0.023597 0.002415 0.215803 -0.079576 11H 1px -0.176695 0.088727 0.077302 -0.070034 -0.102918 0.069053 11H 1py -0.010970 0.030416 -0.101746 0.035157 0.015116 0.021860 12H 1s 0.003231 -0.033326 0.131336 -0.028914 -0.126434 -0.000181 12H 2s -0.358986 0.196997 0.238712 -0.129303 -0.143656 -0.022639 12H 3s 0.214354 -0.030735 -0.060469 0.068074 -0.058802 0.174209 12H 1pz 0.052406 -0.048666 0.034164 -0.012367 -0.066062 -0.064338 12H 1px -0.073030 0.068114 -0.074555 0.010695 0.008542 0.123430 12H 1py -0.206480 0.119864 0.140912 -0.080954 0.025293 -0.072790 13H 1s 0.054145 0.115763 0.024986 -0.026439 -0.062884 0.114644 13H 2s 0.181661 -0.172716 0.304785 -0.259348 0.142925 0.272358 13H 3s -0.033123 0.061971 -0.007438 0.138034 -0.182088 -0.150578 13H 1pz 0.051498 -0.084269 0.128682 -0.052530 0.062198 0.109589 13H 1px -0.021578 0.069170 0.019674 0.154821 -0.044392 0.079991 13H 1py -0.041539 0.084899 -0.066911 0.104330 -0.038179 0.003727 14H 1s 0.025493 -0.059203 0.055964 -0.078118 0.036101 0.086490 14H 2s 0.135069 -0.017724 -0.055122 -0.379822 0.038257 0.122245 14H 3s -0.034788 -0.067641 0.060787 0.182522 -0.046819 -0.159511 14H 1pz 0.084070 0.060889 0.004740 -0.177922 0.015674 0.125915 14H 1px 0.038901 0.036400 -0.064315 -0.134573 -0.026941 -0.061589 14H 1py -0.000949 0.044370 -0.019140 -0.034893 -0.045940 -0.039003 15H 1s -0.031888 0.007355 -0.093825 -0.032063 -0.050846 -0.210127 15H 2s -0.032783 0.357164 -0.308778 -0.369183 -0.243325 -0.242658 15H 3s -0.050157 -0.178100 0.022008 0.182630 -0.033347 -0.221420 15H 1pz -0.021645 0.067284 -0.039327 0.113569 -0.025477 -0.020568 15H 1px -0.001354 -0.017139 -0.049345 -0.155299 0.014739 -0.037139 15H 1py -0.005848 -0.248447 0.118382 0.124429 0.125224 -0.004948 16H 1s 0.013149 0.028893 0.022762 -0.003763 -0.011842 0.014522 16H 2s -0.087286 -0.094462 -0.071018 -0.124584 -0.015857 -0.133298 16H 3s -0.012519 0.045810 0.036603 0.018274 -0.043796 0.097604 16H 1pz -0.020807 0.002207 0.001311 -0.058948 -0.003231 -0.055316 16H 1px 0.017586 -0.013248 -0.008170 -0.003588 -0.009425 0.006380 16H 1py 0.004747 0.001793 0.008819 -0.002618 0.009466 -0.026338 17H 1s 0.001095 0.019108 0.010370 -0.013565 0.020909 0.015057 17H 2s -0.081667 -0.050990 -0.072869 -0.201227 -0.158559 0.079717 17H 3s 0.039069 -0.015493 0.029628 0.056251 0.096604 -0.079116 17H 1pz 0.014748 0.006706 0.016159 0.062074 0.036646 -0.034278 17H 1px 0.015075 -0.000407 0.005828 0.043717 0.026910 -0.038307 17H 1py -0.006737 0.008040 0.000632 -0.038482 -0.022132 0.046179 18H 1s -0.000398 -0.021984 0.003894 -0.011827 -0.020238 0.014540 18H 2s -0.082643 0.065166 -0.051919 -0.205126 0.144227 0.078317 18H 3s 0.042014 0.007886 0.031446 0.057503 -0.090546 -0.079809 18H 1pz -0.016399 0.008979 -0.013674 -0.063144 0.033591 0.035181 18H 1px -0.016121 0.000032 -0.005421 -0.044877 0.023310 0.037410 18H 1py 0.007201 0.009804 0.001425 0.036625 -0.018451 -0.045324 19H 1s 0.010167 -0.035491 0.012507 -0.001170 0.013149 0.018739 19H 2s -0.084676 0.112577 -0.039510 -0.129124 0.015878 -0.134600 19H 3s -0.014576 -0.054631 0.021327 0.021981 0.037230 0.099516 19H 1pz 0.023310 0.003093 -0.000683 0.057718 -0.004376 0.052674 19H 1px -0.018134 -0.013920 0.004128 0.003034 -0.009842 -0.007509 19H 1py -0.003007 0.004292 -0.007253 0.003395 0.007139 0.025273 20H 1s -0.037965 0.022806 -0.090877 -0.033589 0.059909 -0.213235 20H 2s -0.077325 -0.252973 -0.388089 -0.366280 0.247004 -0.246872 20H 3s -0.041662 0.173949 0.072355 0.177302 0.045960 -0.214707 20H 1pz 0.029392 0.047907 0.058197 -0.119541 -0.028003 0.015620 20H 1px 0.006340 -0.029043 0.036868 0.157716 0.015212 0.043596 20H 1py -0.018847 -0.206141 -0.182379 -0.118122 0.122412 0.010307 21H 1s 0.030149 0.038384 0.073682 -0.080881 -0.042017 0.084770 21H 2s 0.130978 0.013725 -0.048931 -0.389060 -0.045484 0.108841 21H 3s -0.030721 0.056831 0.082795 0.182997 0.054233 -0.156944 21H 1pz -0.078626 0.072041 0.013922 0.177758 0.021340 -0.123541 21H 1px -0.033646 0.021959 0.074488 0.137214 -0.028624 0.066923 21H 1py 0.004064 0.038016 0.032407 0.035033 -0.046434 0.040157 22H 1s 0.046601 -0.124710 -0.012015 -0.022667 0.058646 0.122010 22H 2s 0.215091 0.050260 0.334878 -0.272505 -0.160446 0.249849 22H 3s -0.040504 -0.049732 -0.023704 0.141246 0.189983 -0.138161 22H 1pz -0.065863 -0.036617 -0.145148 0.056817 0.069327 -0.102469 22H 1px 0.024248 0.067037 0.004146 -0.158897 -0.043805 -0.089810 22H 1py 0.052336 0.055303 0.087443 -0.109875 -0.039639 -0.013407 23H 1s 0.000280 -0.004479 0.134353 -0.034517 0.132631 0.010664 23H 2s -0.379991 -0.247261 0.158205 -0.129527 0.137714 -0.009063 23H 3s 0.215595 0.040414 -0.047361 0.070219 0.060087 0.174149 23H 1pz -0.055985 -0.034815 -0.049707 0.016516 -0.072380 0.070589 23H 1px 0.081244 0.040146 0.096792 -0.014211 0.016693 -0.133140 23H 1py 0.212315 0.149935 -0.094061 0.079270 0.029569 0.076539 24H 1s -0.102599 -0.053300 -0.176063 0.024414 -0.037293 0.193761 24H 2s -0.537493 -0.384666 -0.254996 -0.061036 -0.223220 0.167925 24H 3s 0.167993 0.038900 -0.124538 0.102965 0.128602 0.213190 24H 1pz 0.173793 0.159118 0.072641 -0.009800 0.215830 0.101142 24H 1px 0.180308 0.098031 -0.045704 0.071493 -0.096983 -0.077960 24H 1py 0.005720 -0.003752 0.107875 -0.038278 0.014551 -0.021363 25H 1s -0.021132 -0.058187 0.085879 -0.011533 -0.130676 -0.186666 25H 2s 0.003022 0.033067 0.540926 -0.132374 0.060960 0.023688 25H 3s 0.117131 -0.092198 -0.068394 0.088688 -0.070379 0.063019 25H 1pz 0.041271 -0.019050 -0.126815 0.055092 -0.062143 -0.116465 25H 1px -0.085735 -0.003248 0.099108 -0.045634 0.095981 0.129577 25H 1py -0.095690 -0.051169 -0.158728 -0.000741 0.002213 0.050850 26O 1s 0.017534 -0.027601 -0.010042 0.000164 0.014680 -0.013675 26O 2s 0.052382 -0.089246 -0.035032 -0.001437 0.054030 -0.051887 26O 3s -0.145271 0.482132 0.270352 0.064136 -0.478698 0.429466 26O 4s -1.030487 0.088700 -0.544941 -0.413346 1.167187 -0.826155 26O 5s -1.685222 3.240612 0.317944 0.349850 -0.919064 3.021932 26O 1pz 0.106044 0.024878 -0.259712 0.080578 -0.172641 0.168829 26O 1px 0.187728 -0.066544 0.065493 0.063554 -0.044753 0.137479 26O 1py 0.041107 0.047956 -0.117886 0.027694 -0.066794 0.176758 26O 2pz -0.107711 -0.166052 0.654218 -0.174200 0.394480 -0.470311 26O 2px 0.546766 -0.699850 -0.199479 0.039122 -0.095747 -0.392236 26O 2py 0.418458 -0.528519 0.274306 0.010397 0.053963 -0.484526 26O 3pz 0.122111 0.472054 0.137169 0.179029 -0.269333 0.752155 26O 3px 0.824520 -0.787084 0.249828 0.121043 0.142830 -0.341214 26O 3py 0.321173 0.009407 0.177992 0.115388 -0.001402 0.345715 26O 1dz2 -0.014580 0.011165 0.009060 -0.006435 -0.003933 0.000206 26O 1dxz -0.004142 0.009963 -0.009528 0.001893 0.005808 0.004355 26O 1dyz -0.005269 0.007329 0.000869 0.002655 -0.000552 0.011392 26O 1dx2y2 0.014059 -0.011565 0.000355 0.002518 0.003017 0.005591 26O 1dxy 0.024405 -0.014868 -0.000730 0.003354 -0.015619 0.006248 26O 2dz2 0.084347 -0.086978 -0.037314 0.010821 -0.047130 0.069656 26O 2dxz 0.124643 -0.042544 -0.217034 0.058647 -0.047753 0.011446 26O 2dyz -0.005749 0.016144 -0.028626 0.016798 -0.047395 0.068594 26O 2dx2y2 0.008954 0.022636 0.130669 -0.016597 -0.043844 -0.047944 26O 2dxy -0.184462 0.189237 -0.060776 -0.013430 0.063777 0.030404 26O 1f0 -0.028881 0.014669 -0.004985 -0.004749 -0.000561 0.007632 26O 1f+1 -0.039457 0.031694 -0.018910 -0.003514 0.011969 0.021682 26O 1f-1 -0.024267 0.012465 0.013022 -0.011385 -0.015568 0.004397 26O 1f+2 0.048421 -0.015515 -0.024038 0.014181 0.002960 -0.007062 26O 1f-2 0.016912 -0.024705 0.028162 -0.006553 -0.024926 -0.009947 26O 1f+3 -0.023901 0.033123 -0.018811 0.003927 0.037553 0.003226 26O 1f-3 -0.033132 0.025023 0.016703 -0.011550 -0.016222 -0.003395 27O 1s -0.002219 -0.007175 0.011618 0.015747 0.002613 0.010855 27O 2s -0.007617 -0.019558 0.035950 0.049338 0.006006 0.039754 27O 3s 0.054998 0.022140 -0.152702 -0.202245 0.055657 -0.285094 27O 4s -0.136917 0.581120 -0.357154 -0.556284 -0.525328 0.327332 27O 5s 0.135562 0.526713 -1.306092 -1.386499 -1.693960 -3.092250 27O 1pz -0.057880 0.003132 -0.105773 -0.018466 -0.055006 -0.121814 27O 1px 0.009337 -0.085394 0.074157 0.077787 -0.033159 -0.138889 27O 1py 0.134056 0.141750 0.088372 -0.202657 0.026796 0.193735 27O 2pz 0.124561 0.001395 0.260037 0.071482 0.148574 0.325456 27O 2px -0.056033 -0.316793 0.339222 0.612428 0.563123 0.578378 27O 2py -0.322227 -0.241339 -0.338751 0.319469 -0.208032 -0.595059 27O 3pz -0.037871 0.000751 -0.112098 -0.166424 -0.335788 -0.427515 27O 3px 0.158722 -0.328173 0.639788 0.465716 0.241508 0.534096 27O 3py -0.062770 0.249937 -0.024121 -0.078834 0.341795 0.468234 27O 1dz2 -0.000572 0.013051 -0.008208 -0.011016 -0.007102 0.001673 27O 1dxz -0.004835 -0.006501 -0.002441 0.006377 0.001967 -0.000190 27O 1dyz -0.000521 0.003258 -0.001129 0.003194 0.000072 0.002777 27O 1dx2y2 -0.005037 -0.012153 0.008595 0.022415 0.009706 -0.001011 27O 1dxy 0.003005 -0.005098 0.006583 -0.000903 0.005175 0.008063 27O 2dz2 -0.008848 -0.030610 0.040641 0.035980 0.050316 0.038738 27O 2dxz -0.012472 0.061401 -0.124804 -0.073039 -0.123274 -0.100912 27O 2dyz -0.034184 0.020441 0.009421 0.096805 0.041529 0.030831 27O 2dx2y2 0.056830 0.163130 -0.065323 -0.176033 -0.055669 0.037933 27O 2dxy 0.107624 0.096264 0.051814 -0.183605 0.081739 0.072035 27O 1f0 -0.001189 -0.019573 0.010037 0.012937 0.011466 0.002661 27O 1f+1 0.005392 0.000745 -0.009370 -0.030795 -0.008846 0.007923 27O 1f-1 -0.000317 -0.017540 0.009554 0.023646 0.006099 0.005996 27O 1f+2 -0.007721 0.030465 -0.018124 0.014010 -0.034721 -0.019411 27O 1f-2 -0.013867 -0.000159 -0.004753 0.043256 -0.005494 -0.007758 27O 1f+3 -0.005872 0.002814 -0.014355 -0.013961 -0.013799 -0.018884 27O 1f-3 -0.001079 -0.029019 0.031046 0.039741 0.007781 0.025699 28O 1s -0.016620 -0.010706 0.006234 -0.008057 -0.023450 -0.005711 28O 2s -0.053667 -0.037844 0.014557 -0.025833 -0.081052 -0.022810 28O 3s 0.297405 0.297367 0.119489 0.125081 0.634207 0.195673 28O 4s -0.083529 -0.639256 -1.525932 0.108148 -1.341015 -0.322436 28O 5s 0.388906 1.702059 -1.268365 0.896532 0.811299 2.731868 28O 1pz -0.183221 0.239453 -0.039994 -0.026428 0.015759 0.170938 28O 1px 0.038741 0.015362 -0.133639 0.018628 0.057802 -0.140687 28O 1py -0.162735 0.192780 0.009272 -0.036332 0.078685 0.046666 28O 2pz 0.138222 -0.612445 0.787766 -0.168253 0.020537 -0.515038 28O 2px 0.288782 -0.085180 -0.424048 0.210744 -0.203291 0.348649 28O 2py 0.371578 -0.489655 0.036522 0.054755 -0.151449 -0.130447 28O 3pz 0.004529 0.024214 0.416524 0.009515 -0.230759 0.163326 28O 3px 0.020549 0.410172 -0.598423 0.199414 0.195872 0.467736 28O 3py -0.031184 0.216567 0.034057 0.027905 0.052680 0.328398 28O 1dz2 -0.004056 0.002276 0.004983 -0.000877 -0.000941 -0.002259 28O 1dxz 0.024131 -0.003415 -0.010766 0.007991 0.004758 -0.009677 28O 1dyz 0.006478 -0.000591 -0.003971 0.002792 0.001961 0.000495 28O 1dx2y2 -0.008294 -0.000134 0.009324 -0.004065 -0.004657 0.006549 28O 1dxy 0.004538 -0.000175 0.007628 0.001122 0.006068 -0.003904 28O 2dz2 -0.028556 0.122297 -0.165499 0.007682 -0.020688 0.025684 28O 2dxz 0.002077 -0.084834 0.156101 -0.037665 -0.049189 -0.002491 28O 2dyz -0.045286 0.100458 0.061425 0.011484 0.015634 -0.034350 28O 2dx2y2 0.125192 -0.094016 0.016922 0.032735 0.016471 -0.010003 28O 2dxy 0.173218 -0.132211 -0.049121 0.026989 0.007285 0.035397 28O 1f0 0.026185 -0.002893 -0.027775 0.010545 -0.008013 -0.000850 28O 1f+1 0.016415 -0.010917 -0.014611 0.011316 0.008490 -0.000145 28O 1f-1 0.032077 -0.019781 0.010778 0.004816 0.013509 -0.020786 28O 1f+2 -0.020339 -0.005159 0.045931 -0.013460 -0.012242 -0.002364 28O 1f-2 0.017689 -0.020100 -0.021155 0.002783 -0.011317 0.006363 28O 1f+3 -0.000311 -0.007973 0.011968 -0.005792 0.014016 0.004265 28O 1f-3 0.021298 -0.015183 0.001596 0.001344 -0.004857 -0.005084 29O 1s -0.004466 -0.010091 -0.004819 -0.001616 -0.001617 -0.001639 29O 2s -0.015741 -0.035096 -0.017323 -0.004569 -0.005331 -0.006078 29O 3s 0.121118 0.266965 0.141530 0.009002 0.032614 0.052596 29O 4s -0.275310 -0.453412 -0.327498 -0.014508 -0.062129 -0.121645 29O 5s 0.552062 0.365355 0.589532 0.378836 0.210854 0.199475 29O 1pz -0.000523 0.026204 -0.006008 0.011822 -0.008072 0.024927 29O 1px 0.006991 -0.076456 0.000543 -0.019640 -0.021660 0.019137 29O 1py 0.026690 -0.009495 0.000979 0.011700 0.001711 -0.007089 29O 2pz -0.005690 -0.047979 0.019490 -0.028822 0.042860 -0.136451 29O 2px 0.008440 0.153267 0.013306 0.095760 0.075002 -0.067544 29O 2py -0.067880 0.021219 -0.006505 -0.079979 -0.021764 0.022765 29O 3pz 0.031848 0.003427 0.028904 0.060729 0.004216 0.053411 29O 3px -0.145560 -0.135937 -0.158893 -0.093645 -0.056219 -0.031359 29O 3py -0.037954 -0.071548 -0.073740 -0.093606 -0.087784 -0.037784 29O 1dz2 0.000254 0.001082 0.000955 -0.002349 0.002044 -0.002831 29O 1dxz 0.000123 0.004264 0.001630 -0.002367 -0.001738 0.001170 29O 1dyz -0.000222 0.001641 0.002158 -0.000980 0.001948 -0.008068 29O 1dx2y2 0.001802 -0.000298 -0.000149 0.001762 -0.000708 0.000148 29O 1dxy -0.000615 -0.000224 -0.000812 0.000765 0.005034 -0.004274 29O 2dz2 -0.001224 -0.003269 -0.011744 0.006036 0.003778 0.016208 29O 2dxz 0.009551 0.011317 -0.000995 0.021569 0.002064 -0.029478 29O 2dyz -0.001159 0.004380 -0.000874 -0.004916 -0.008682 0.029260 29O 2dx2y2 0.010191 -0.007229 0.008968 0.005595 -0.003384 -0.004623 29O 2dxy -0.004813 -0.000372 -0.007143 -0.039751 -0.003079 0.015787 29O 1f0 -0.003342 -0.005607 -0.004253 -0.001249 -0.001770 0.000164 29O 1f+1 0.002365 -0.000163 0.001640 -0.000180 0.003288 0.001487 29O 1f-1 -0.000671 -0.004082 -0.002550 0.000093 0.000267 -0.001881 29O 1f+2 0.001724 0.007028 0.003639 -0.001717 -0.003531 0.003223 29O 1f-2 0.001870 -0.002449 0.001124 0.001196 -0.003857 -0.003377 29O 1f+3 0.000405 0.002432 0.001146 -0.002760 0.000998 -0.000511 29O 1f-3 0.001184 0.000242 0.002290 -0.000113 -0.003020 0.003998 30O 1s 0.000100 -0.006322 -0.004782 -0.015587 0.038676 0.013876 30O 2s -0.002946 -0.021266 -0.019613 -0.047857 0.133406 0.048988 30O 3s 0.117763 0.165798 0.242967 0.183299 -0.989740 -0.327609 30O 4s -0.745558 -0.433639 -0.959849 0.533211 1.746127 0.216029 30O 5s -0.131341 0.061897 -0.490998 0.760341 -3.415434 -3.450507 30O 1pz 0.030890 0.072704 -0.036905 -0.211225 -0.147414 -0.118724 30O 1px -0.074188 0.087653 -0.113344 0.028789 -0.064492 0.045182 30O 1py 0.020897 -0.023962 0.106607 0.078944 0.196743 0.200221 30O 2pz 0.095268 -0.131312 0.293772 0.169965 0.469595 0.457328 30O 2px -0.092299 -0.277226 0.022723 0.505368 0.009364 -0.331139 30O 2py -0.276467 0.034302 -0.491277 0.247610 -0.599118 -0.751646 30O 3pz 0.266458 0.037167 0.257582 -0.123857 0.033586 0.058847 30O 3px -0.207152 0.096038 -0.368118 0.179343 -0.831311 -0.872675 30O 3py -0.252204 0.144043 -0.283345 0.032500 0.166478 0.109964 30O 1dz2 -0.003940 -0.003415 -0.004575 0.011471 0.000577 -0.004068 30O 1dxz -0.001294 0.006449 -0.002501 0.010311 -0.005400 0.003505 30O 1dyz -0.004465 0.002669 -0.000689 0.003685 0.004287 0.006101 30O 1dx2y2 0.002925 0.003326 0.001534 -0.003518 0.006008 -0.001940 30O 1dxy 0.005573 0.001695 -0.003006 -0.025425 0.005231 -0.002416 30O 2dz2 0.039979 0.074746 -0.061257 -0.242555 -0.023612 0.059186 30O 2dxz -0.004659 -0.004808 0.012780 0.051177 0.084811 -0.028574 30O 2dyz 0.017901 -0.079859 0.099054 0.003334 0.105204 0.029336 30O 2dx2y2 0.061214 -0.058962 0.141813 0.031720 -0.002179 0.051507 30O 2dxy -0.075101 0.013954 -0.109348 0.120799 -0.073876 -0.087710 30O 1f0 -0.005777 0.002505 -0.018083 -0.006160 -0.006708 -0.012080 30O 1f+1 -0.001888 -0.014460 0.009879 0.018760 0.007562 0.001020 30O 1f-1 -0.010196 -0.022185 0.001549 0.023082 0.008002 -0.009537 30O 1f+2 0.007879 0.006696 -0.003325 -0.028739 0.001089 -0.011234 30O 1f-2 0.017354 0.001252 0.014985 -0.035201 0.012083 0.023483 30O 1f+3 0.002236 -0.003695 0.013937 0.010237 -0.000178 0.013032 30O 1f-3 0.011782 -0.008671 0.009720 -0.034469 0.005373 0.007525 31O 1s -0.000232 0.006603 -0.002158 -0.015384 -0.039483 0.012246 31O 2s -0.004254 0.023628 -0.010500 -0.046908 -0.136199 0.043575 31O 3s 0.132314 -0.225503 0.165462 0.169868 1.007746 -0.293324 31O 4s -0.789466 0.765454 -0.741404 0.585109 -1.755478 0.180175 31O 5s -0.161475 0.177848 -0.479470 0.737606 3.562198 -3.303044 31O 1pz -0.022609 0.064077 0.053972 0.214886 -0.149150 0.119135 31O 1px 0.081590 0.044877 0.132970 -0.030448 -0.062187 -0.049320 31O 1py -0.026483 0.009181 -0.107173 -0.089243 0.205614 -0.197468 31O 2pz -0.123912 -0.023649 -0.305585 -0.167119 0.482265 -0.441756 31O 2px 0.083428 -0.288411 -0.108030 -0.518767 -0.010992 0.318454 31O 2py 0.302501 -0.148668 0.467486 -0.235325 -0.634907 0.727600 31O 3pz -0.266165 0.132684 -0.235003 0.122460 0.031417 -0.047436 31O 3px 0.226550 -0.051320 0.374044 -0.178245 -0.865153 0.829214 31O 3py 0.260710 0.037700 0.308897 -0.042186 0.177001 -0.097273 31O 1dz2 -0.003748 0.005159 -0.003353 0.011291 -0.000140 -0.004270 31O 1dxz -0.001671 -0.004903 -0.004104 0.011053 0.005208 0.004088 31O 1dyz -0.004767 -0.001918 -0.001394 0.004001 -0.004687 0.006307 31O 1dx2y2 0.002751 -0.003965 0.000402 -0.003520 -0.005942 -0.002225 31O 1dxy 0.005289 -0.001742 -0.003096 -0.025688 -0.005412 -0.003274 31O 2dz2 0.030196 -0.061560 -0.076540 -0.241126 0.015718 0.057799 31O 2dxz -0.003265 0.000505 0.012303 0.049639 -0.081070 -0.033275 31O 2dyz 0.029034 0.044819 0.115158 0.000549 -0.105167 0.021995 31O 2dx2y2 0.072632 0.012266 0.148549 0.033627 0.000089 0.051333 31O 2dxy -0.079366 0.028303 -0.107257 0.120742 0.080303 -0.085375 31O 1f0 0.007474 -0.003683 0.017079 0.005724 -0.006965 0.011599 31O 1f+1 0.000163 -0.011372 -0.013004 -0.018079 0.007155 -0.000765 31O 1f-1 0.008283 -0.021998 -0.007780 -0.021987 0.007119 0.009724 31O 1f+2 -0.007236 0.006601 0.004914 0.029072 0.000974 0.012420 31O 1f-2 -0.017743 0.008396 -0.013999 0.036287 0.013426 -0.021936 31O 1f+3 -0.003878 0.000361 -0.013587 -0.010512 0.000614 -0.013634 31O 1f-3 -0.013022 -0.003538 -0.011325 0.035582 0.005981 -0.005989 32O 1s -0.003664 0.011308 -0.001521 -0.001680 0.001384 -0.001959 32O 2s -0.012897 0.039555 -0.005813 -0.004832 0.004541 -0.007239 32O 3s 0.098396 -0.305048 0.053326 0.011512 -0.027274 0.062282 32O 4s -0.234802 0.548846 -0.172486 -0.020808 0.053111 -0.140726 32O 5s 0.525474 -0.545382 0.445448 0.390424 -0.192325 0.218404 32O 1pz 0.002326 0.022932 0.013537 -0.010588 -0.006828 -0.024666 32O 1px -0.011557 -0.071091 -0.023108 0.018464 -0.020624 -0.018849 32O 1py -0.027118 -0.007801 -0.003322 -0.011465 0.000831 0.005309 32O 2pz 0.002787 -0.040444 -0.033113 0.023593 0.036793 0.134222 32O 2px -0.000789 0.145499 0.032862 -0.094802 0.069575 0.065980 32O 2py 0.070739 0.017992 0.011260 0.079066 -0.017250 -0.017551 32O 3pz -0.030507 0.012936 -0.025013 -0.059939 0.005476 -0.054930 32O 3px 0.136444 -0.181974 0.108810 0.096765 -0.052956 0.037464 32O 3py 0.034789 -0.089036 0.049341 0.096758 -0.083822 0.036411 32O 1dz2 -0.000037 -0.001323 0.000581 -0.002344 -0.001908 -0.002702 32O 1dxz -0.000128 -0.004673 0.000280 -0.002256 0.001662 0.001249 32O 1dyz -0.000367 -0.002266 0.001665 -0.000877 -0.001678 -0.008001 32O 1dx2y2 0.001851 0.000321 -0.000122 0.001959 0.000822 0.000418 32O 1dxy -0.000551 0.000565 -0.000601 0.000962 -0.004806 -0.004350 32O 2dz2 -0.000375 0.006934 -0.009727 0.005283 -0.005438 0.012047 32O 2dxz 0.009264 -0.009961 -0.004171 0.022691 -0.000367 -0.029206 32O 2dyz -0.000760 -0.004125 -0.002103 -0.005195 0.006694 0.027902 32O 2dx2y2 0.010607 0.003788 0.010738 0.007104 0.003406 -0.004948 32O 2dxy -0.005501 0.001171 -0.006363 -0.037897 0.001354 0.014521 32O 1f0 0.002710 -0.006550 0.002125 0.001508 -0.001400 0.000055 32O 1f+1 -0.002277 0.000690 -0.001614 0.000235 0.003300 -0.001600 32O 1f-1 0.000422 -0.004756 0.001222 0.000472 0.000352 0.002397 32O 1f+2 -0.001237 0.008257 -0.001436 0.001597 -0.003418 -0.003604 32O 1f-2 -0.001981 -0.001818 -0.001829 -0.001020 -0.003931 0.002871 32O 1f+3 -0.000178 0.002738 -0.000369 0.002953 0.000929 0.000627 32O 1f-3 -0.001079 0.000932 -0.002020 0.000128 -0.002938 -0.004046 33O 1s -0.015470 0.009057 0.007708 -0.009642 0.022857 -0.004196 33O 2s -0.049367 0.034192 0.020312 -0.031229 0.079363 -0.017916 33O 3s 0.256579 -0.337675 0.059556 0.162630 -0.629403 0.168395 33O 4s 0.031318 1.101933 -1.319743 0.053814 1.365634 -0.306974 33O 5s 0.275282 -1.251302 -1.619621 1.062350 -0.864934 2.618972 33O 1pz 0.202098 0.211106 0.103680 0.018342 0.029355 -0.172209 33O 1px -0.042314 -0.025215 0.126618 -0.019447 0.050284 0.150320 33O 1py 0.169613 0.175991 0.046998 0.029007 0.083709 -0.043294 33O 2pz -0.165385 -0.337709 -0.911800 0.202090 0.003565 0.490203 33O 2px -0.305525 -0.206463 0.382921 -0.223384 -0.210487 -0.339896 33O 2py -0.385202 -0.426670 -0.177352 -0.035164 -0.159257 0.119286 33O 3pz 0.009483 0.154944 -0.391542 -0.007201 -0.217442 -0.181652 33O 3px 0.001206 0.206727 0.665683 -0.236172 0.200677 -0.430104 33O 3py 0.037076 0.215360 0.027861 -0.045049 0.064996 -0.318052 33O 1dz2 -0.004087 -0.003142 0.004160 -0.000675 0.001097 -0.002139 33O 1dxz 0.024628 0.005576 -0.008793 0.008344 -0.003476 -0.010798 33O 1dyz 0.006181 0.001151 -0.003320 0.003082 -0.002014 0.000194 33O 1dx2y2 -0.008755 -0.002644 0.008690 -0.004428 0.003906 0.007252 33O 1dxy 0.005011 -0.001929 0.007394 0.001217 -0.005529 -0.004622 33O 2dz2 -0.033486 -0.069439 -0.189709 0.011115 0.015623 0.017087 33O 2dxz 0.002526 0.032300 0.170275 -0.044977 0.047567 0.008256 33O 2dyz -0.042946 -0.106265 0.029674 0.015573 -0.012288 -0.042267 33O 2dx2y2 0.126631 0.080023 0.045608 0.033069 -0.010604 -0.010929 33O 2dxy 0.172577 0.125496 -0.006091 0.024074 -0.008390 0.037198 33O 1f0 -0.026085 -0.009340 0.024833 -0.010566 -0.008698 0.002508 33O 1f+1 -0.017193 -0.014813 0.010106 -0.011437 0.007178 0.000929 33O 1f-1 -0.032875 -0.014217 -0.016716 -0.004547 0.011615 0.022129 33O 1f+2 0.022471 0.008829 -0.044720 0.014927 -0.011219 -0.000865 33O 1f-2 -0.017221 -0.024031 0.013746 -0.002280 -0.011533 -0.007128 33O 1f+3 0.000819 -0.003357 -0.013403 0.006036 0.015024 -0.005293 33O 1f-3 -0.021167 -0.012604 -0.006088 -0.000691 -0.005413 0.004907 34O 1s -0.000010 0.004107 0.011837 0.015418 -0.002699 0.010696 34O 2s -0.000558 0.010261 0.035423 0.048185 -0.006427 0.039288 34O 3s 0.016908 0.012134 -0.119305 -0.190647 -0.051516 -0.283317 34O 4s -0.141486 -0.450462 -0.561693 -0.594170 0.514873 0.327260 34O 5s -0.052603 -0.142484 -1.287490 -1.431214 1.781549 -3.044345 34O 1pz 0.065790 -0.035856 0.096300 0.014997 -0.059369 0.122241 34O 1px -0.016936 -0.062296 -0.096864 -0.077096 -0.037537 0.137045 34O 1py -0.128541 0.179735 -0.038133 0.202015 0.036120 -0.190033 34O 2pz -0.142965 0.095475 -0.234793 -0.061737 0.159530 -0.326621 34O 2px 0.007410 -0.218942 -0.402470 -0.631112 0.574323 -0.567022 34O 2py 0.323338 -0.371206 0.238805 -0.312510 -0.234104 0.582303 34O 3pz 0.050285 -0.034232 0.091628 0.175757 -0.345307 0.436595 34O 3px -0.222694 -0.122262 -0.678218 -0.472235 0.255688 -0.522331 34O 3py 0.075052 0.234992 0.103832 0.062027 0.358270 -0.468839 34O 1dz2 -0.002009 -0.010449 -0.011497 -0.010720 0.006930 0.001708 34O 1dxz -0.004389 0.007440 -0.000340 0.005842 -0.001868 0.000103 34O 1dyz -0.000732 -0.002605 -0.002207 0.003472 -0.000042 0.003031 34O 1dx2y2 -0.003293 0.010009 0.011593 0.022468 -0.009532 -0.001326 34O 1dxy 0.003675 0.002556 0.007667 -0.001067 -0.005415 0.008009 34O 2dz2 -0.002918 0.018695 0.046082 0.037642 -0.052183 0.037544 34O 2dxz -0.022668 -0.018489 -0.135677 -0.068641 0.126426 -0.100511 34O 2dyz -0.033594 -0.018197 0.001212 0.099097 -0.041325 0.034876 34O 2dx2y2 0.038204 -0.146242 -0.106279 -0.173054 0.051139 0.041126 34O 2dxy 0.100111 -0.121887 0.019638 -0.178546 -0.086998 0.066638 34O 1f0 -0.000798 -0.016249 -0.015055 -0.012451 0.011329 -0.002844 34O 1f+1 -0.004779 -0.001241 0.008508 0.031765 -0.007901 -0.008489 34O 1f-1 -0.001887 -0.014540 -0.013802 -0.023104 0.005854 -0.006053 34O 1f+2 0.010444 0.022549 0.026458 -0.015454 -0.035598 0.017902 34O 1f-2 0.013457 -0.003665 0.004664 -0.043541 -0.006254 0.006444 34O 1f+3 0.006893 -0.001539 0.014126 0.015299 -0.014657 0.019251 34O 1f-3 -0.003191 -0.019786 -0.037506 -0.039582 0.008539 -0.026671 35O 1s 0.017601 0.028504 -0.000955 -0.000540 -0.013693 -0.013079 35O 2s 0.052505 0.093159 -0.005287 -0.003762 -0.050638 -0.050249 35O 3s -0.139174 -0.534064 0.098839 0.078298 0.457946 0.424630 35O 4s -1.079598 0.126294 -0.502236 -0.424582 -1.162053 -0.844611 35O 5s -1.803594 -3.106387 -0.658193 0.447323 0.773847 2.981081 35O 1pz -0.103449 -0.051346 0.254573 -0.085701 -0.171824 -0.176892 35O 1px -0.184513 -0.032583 -0.082944 -0.063919 -0.043733 -0.142829 35O 1py -0.045894 0.008322 0.130501 -0.034390 -0.063320 -0.182729 35O 2pz 0.095521 0.037336 -0.668735 0.188997 0.387451 0.486785 35O 2px -0.591411 -0.708400 -0.003730 -0.022653 -0.126283 0.381665 35O 2py -0.423466 -0.391749 -0.423227 0.014570 0.030861 0.488176 35O 3pz -0.080089 0.497150 0.013311 -0.207325 -0.244524 -0.792502 35O 3px -0.843117 -0.635363 -0.465736 -0.108215 0.112462 0.304386 35O 3py -0.314780 0.076542 -0.154579 -0.130514 0.004704 -0.381996 35O 1dz2 -0.015229 -0.012816 0.005324 -0.006307 0.003478 0.000136 35O 1dxz -0.004192 -0.006187 -0.012249 0.002407 -0.006050 0.004029 35O 1dyz -0.005637 -0.006962 -0.001652 0.002967 -0.000110 0.011792 35O 1dx2y2 0.014694 0.010375 0.003329 0.002513 -0.002963 0.006402 35O 1dxy 0.024029 0.013099 0.003793 0.002728 0.016110 0.007423 35O 2dz2 0.081627 0.087920 -0.011651 0.009686 0.044879 0.079923 35O 2dxz 0.119224 0.100160 -0.187702 0.059288 0.054132 0.013076 35O 2dyz -0.011285 -0.005377 -0.032284 0.018702 0.046342 0.077783 35O 2dx2y2 0.000363 -0.066965 0.121340 -0.021499 0.044030 -0.053526 35O 2dxy -0.182751 -0.149077 -0.115557 -0.004698 -0.068755 0.025378 35O 1f0 0.029022 0.011434 0.009899 0.004614 0.000957 -0.007856 35O 1f+1 0.040967 0.023418 0.027707 0.002237 0.014819 -0.021601 35O 1f-1 0.025557 0.015248 -0.008000 0.011953 -0.014212 -0.005964 35O 1f+2 -0.048633 -0.019473 0.016595 -0.014368 0.001106 0.008959 35O 1f-2 -0.016194 -0.014199 -0.034332 0.007905 -0.026140 0.007694 35O 1f+3 0.023084 0.023982 0.027706 -0.006131 0.038263 -0.001507 35O 1f-3 0.035259 0.027040 -0.009519 0.012005 -0.016473 0.003595 540 541 542 543 544 545 3.49600 3.50684 3.51056 3.52840 3.52957 3.54479 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s -0.001671 0.002621 0.000097 -0.000131 -0.000012 -0.000240 0Rh 2s 0.010167 -0.017399 -0.002740 0.001082 -0.003452 0.001545 0Rh 3s -0.003797 0.005086 -0.001080 -0.000125 -0.002150 -0.000494 0Rh 4s -0.055602 0.095002 0.014691 -0.005834 0.018652 -0.008383 0Rh 5s 0.106630 -0.188855 -0.038112 0.011717 -0.055680 0.015934 0Rh 6s -0.033453 0.089269 0.058474 -0.003666 0.119064 -0.003883 0Rh 7s -0.262891 0.271632 -0.133726 -0.198859 -0.963352 -0.107229 0Rh 8s 0.239423 -0.308502 0.014159 0.042354 0.123540 0.039792 0Rh 1pz -0.000427 0.005010 -0.000376 -0.001436 0.001128 -0.001036 0Rh 1px 0.002257 0.000571 0.002063 -0.004098 -0.005294 -0.002141 0Rh 1py -0.003363 0.002149 0.003087 0.000865 -0.002492 0.006026 0Rh 2pz 0.001665 -0.019412 0.001611 0.005607 -0.004531 0.003982 0Rh 2px -0.008584 -0.002465 -0.007892 0.015514 0.019332 0.008069 0Rh 2py 0.013193 -0.008348 -0.012067 -0.003275 0.009450 -0.022974 0Rh 3pz -0.004588 0.044487 -0.007684 -0.013930 0.013120 -0.008196 0Rh 3px 0.015751 0.011103 0.014990 -0.026731 -0.017741 -0.013046 0Rh 3py -0.034361 0.019444 0.029750 0.005177 -0.016439 0.043167 0Rh 4pz 0.010055 -0.037110 0.025112 0.016885 -0.016662 0.002309 0Rh 4px 0.003320 -0.028841 0.003435 -0.015965 -0.091675 -0.012391 0Rh 4py 0.047376 -0.016327 -0.031677 0.007698 -0.010160 0.006735 0Rh 5pz -0.032628 0.038976 -0.056061 -0.031406 0.002809 0.002737 0Rh 5px -0.021681 0.045352 -0.021197 0.073912 0.267814 0.050267 0Rh 5py -0.079241 0.011392 0.044688 -0.025924 0.049717 -0.069161 0Rh 6pz 0.326784 0.372686 0.162728 0.075190 0.586600 0.057130 0Rh 6px 0.064012 0.019677 -0.352698 -0.032869 -0.826863 -0.129759 0Rh 6py -0.091585 0.365455 -0.025634 0.107869 -0.123421 0.107984 0Rh 1dz2 -0.012782 0.009659 0.007323 0.005418 -0.016620 -0.059113 0Rh 1dxz -0.003967 0.009165 0.011518 0.004641 0.012805 -0.026797 0Rh 1dyz -0.020985 -0.002723 0.015453 0.009967 0.000547 0.029346 0Rh 1dx2y2 0.006155 -0.017525 0.012019 0.001289 0.010750 -0.041005 0Rh 1dxy 0.004840 -0.007618 0.014041 0.012960 -0.002692 -0.005797 0Rh 2dz2 0.005046 0.003390 -0.000702 -0.000996 -0.000318 -0.008474 0Rh 2dxz 0.001597 -0.003052 0.002974 0.000329 0.001119 -0.004032 0Rh 2dyz 0.010922 0.007544 -0.002009 -0.002282 0.003381 0.005166 0Rh 2dx2y2 -0.000636 0.002817 0.000546 0.000086 0.001584 -0.005760 0Rh 2dxy 0.006268 0.003652 -0.000500 0.000797 0.000860 -0.001282 0Rh 3dz2 0.019987 -0.048813 -0.022058 -0.013982 0.058535 0.243093 0Rh 3dxz 0.006317 -0.017350 -0.053067 -0.017678 -0.049415 0.111135 0Rh 3dyz 0.020690 -0.025966 -0.043726 -0.023888 -0.017406 -0.124956 0Rh 3dx2y2 -0.018179 0.046895 -0.043650 -0.004986 -0.043962 0.168185 0Rh 3dxy -0.045537 0.009279 -0.045697 -0.048097 0.005320 0.025949 0Rh 4dz2 0.050505 0.076765 0.011413 -0.001953 -0.047230 -0.279927 0Rh 4dxz 0.012675 -0.023998 0.070664 0.019683 0.052101 -0.129485 0Rh 4dyz 0.120973 0.114223 0.011683 -0.005642 0.049128 0.149184 0Rh 4dx2y2 0.005092 0.002123 0.037256 0.007052 0.047300 -0.192084 0Rh 4dxy 0.106598 0.035817 0.025920 0.042784 0.004414 -0.034907 0Rh 5dz2 -0.338063 -0.130093 -0.008356 0.073491 -0.044984 0.130194 0Rh 5dxz -0.084298 0.220243 -0.057884 -0.029556 -0.035071 0.055437 0Rh 5dyz -0.621259 -0.439843 0.047882 0.077458 -0.061739 -0.026792 0Rh 5dx2y2 0.096174 -0.268931 0.039005 -0.037145 0.045542 0.067990 0Rh 5dxy -0.249204 -0.193842 0.091039 0.035531 -0.004027 0.058174 0Rh 1f0 -0.009277 0.021251 -0.000931 0.004580 -0.001050 -0.006665 0Rh 1f+1 0.023544 -0.004716 -0.001986 -0.006060 0.006769 -0.001688 0Rh 1f-1 0.010893 -0.007556 0.006665 0.003841 0.004570 -0.010517 0Rh 1f+2 0.003382 -0.026088 0.003217 0.000317 -0.016253 -0.006855 0Rh 1f-2 0.019336 0.008408 -0.002788 -0.005006 0.008033 -0.013160 0Rh 1f+3 0.022650 -0.034793 0.006168 -0.003075 -0.001652 0.014322 0Rh 1f-3 0.006767 -0.013586 0.005006 0.004770 -0.008419 -0.005891 1Rh 1s 0.001659 -0.002604 -0.000080 0.000079 -0.000147 -0.000255 1Rh 2s -0.010075 0.017290 0.002861 -0.002797 -0.001704 0.001644 1Rh 3s 0.003786 -0.005049 0.001251 -0.001219 -0.001901 -0.000524 1Rh 4s 0.055105 -0.094406 -0.015329 0.015093 0.009193 -0.008927 1Rh 5s -0.105569 0.187697 0.040483 -0.041171 -0.033027 0.017030 1Rh 6s 0.032626 -0.088856 -0.064914 0.073169 0.090733 -0.004458 1Rh 7s 0.261386 -0.264251 0.188617 -0.415391 -0.895710 -0.109360 1Rh 8s -0.238394 0.306523 -0.017220 0.043381 0.133411 0.041451 1Rh 1pz -0.000173 0.004762 -0.000526 -0.001866 -0.000035 0.001069 1Rh 1px 0.002370 0.000399 0.001557 -0.000134 0.006699 0.002146 1Rh 1py -0.003350 0.002271 0.003013 0.002093 0.001644 -0.006000 1Rh 2pz 0.000713 -0.018468 0.002173 0.007358 0.000247 -0.004110 1Rh 2px -0.009009 -0.001817 -0.006017 0.000934 -0.024795 -0.008090 1Rh 2py 0.013141 -0.008811 -0.011790 -0.007940 -0.006251 0.022872 1Rh 3pz -0.003128 0.042767 -0.008606 -0.019397 -0.002349 0.008505 1Rh 3px 0.016431 0.010056 0.012599 -0.010934 0.030255 0.013152 1Rh 3py -0.034223 0.020304 0.029290 0.013561 0.011499 -0.042913 1Rh 4pz 0.011804 -0.037518 0.024584 0.023981 0.004387 -0.002692 1Rh 4px 0.003986 -0.029754 -0.002270 0.042062 0.083135 0.012061 1Rh 4py 0.047212 -0.016151 -0.032074 0.011185 0.002589 -0.007055 1Rh 5pz -0.038353 0.041661 -0.055071 -0.027687 0.014314 -0.002047 1Rh 5px -0.024058 0.048773 -0.003291 -0.100891 -0.259727 -0.049537 1Rh 5py -0.079132 0.010083 0.046383 -0.047579 -0.023462 0.069731 1Rh 6pz 0.318378 0.376436 0.193411 -0.293002 -0.523984 -0.052061 1Rh 6px 0.063099 0.016004 -0.397079 0.465543 0.687615 0.125576 1Rh 6py -0.090047 0.360971 -0.027814 0.162348 0.029497 -0.108624 1Rh 1dz2 0.011748 -0.009707 -0.005019 -0.013317 -0.011190 -0.059274 1Rh 1dxz 0.004168 -0.009385 -0.011368 0.004005 0.012377 -0.027013 1Rh 1dyz 0.021680 0.002827 -0.016201 -0.008181 0.006017 0.028771 1Rh 1dx2y2 -0.006478 0.017297 -0.011609 0.006160 0.009140 -0.041114 1Rh 1dxy -0.004882 0.007875 -0.014031 -0.012378 0.005062 -0.005805 1Rh 2dz2 -0.005384 -0.003548 0.000773 0.000658 -0.000866 -0.008262 1Rh 2dxz -0.001516 0.003020 -0.002939 0.000443 0.001041 -0.004042 1Rh 2dyz -0.011219 -0.007912 0.001380 0.003516 0.001525 0.005661 1Rh 2dx2y2 0.000538 -0.002908 -0.000515 0.000919 0.001227 -0.005719 1Rh 2dxy -0.006441 -0.003736 0.000301 -0.000291 0.001157 -0.001061 1Rh 3dz2 -0.014899 0.049704 0.013833 0.042649 0.042447 0.242662 1Rh 3dxz -0.007379 0.018253 0.052400 -0.015785 -0.047659 0.111930 1Rh 3dyz -0.021693 0.027298 0.049177 0.012059 -0.027746 -0.125279 1Rh 3dx2y2 0.019738 -0.045701 0.042082 -0.025110 -0.036932 0.168370 1Rh 3dxy 0.046475 -0.009771 0.046567 0.043798 -0.022641 0.024951 1Rh 4dz2 -0.057909 -0.079088 -0.004414 -0.023335 -0.042228 -0.277057 1Rh 4dxz -0.010944 0.022957 -0.069917 0.016075 0.051110 -0.130167 1Rh 4dyz -0.123492 -0.119123 -0.022392 0.027929 0.037413 0.155421 1Rh 4dx2y2 -0.007277 -0.003936 -0.035602 0.025225 0.040028 -0.191724 1Rh 4dxy -0.109159 -0.036300 -0.028575 -0.034912 0.027706 -0.031520 1Rh 5dz2 0.343790 0.131980 0.009035 -0.087361 0.006800 0.119462 1Rh 5dxz 0.080902 -0.219068 0.059438 0.001865 -0.047629 0.054213 1Rh 5dyz 0.627520 0.445860 -0.039814 -0.096169 -0.004621 -0.053299 1Rh 5dx2y2 -0.095351 0.269764 -0.041741 0.057181 0.019581 0.065534 1Rh 5dxy 0.252746 0.194076 -0.089206 -0.029372 0.017049 0.047617 1Rh 1f0 -0.009815 0.020327 -0.001653 0.004427 -0.001482 0.007078 1Rh 1f+1 0.024356 -0.003547 -0.000493 -0.008646 -0.002656 0.001236 1Rh 1f-1 0.009578 -0.007805 0.006670 0.000303 -0.006086 0.010871 1Rh 1f+2 0.003618 -0.027509 0.001378 0.009434 0.012649 0.007063 1Rh 1f-2 0.021056 0.009376 -0.000946 -0.007548 -0.004122 0.012122 1Rh 1f+3 0.021836 -0.034649 0.006449 -0.002041 0.002606 -0.014356 1Rh 1f-3 0.005826 -0.014555 0.003667 0.008335 0.003781 0.006250 2C 1s 0.010403 0.001161 0.004553 -0.000108 0.005050 0.000905 2C 2s 0.028034 0.004984 0.014614 0.000109 0.015969 0.002218 2C 3s 0.150949 -0.135057 -0.117791 -0.038860 -0.189184 0.015557 2C 4s -1.148899 0.354349 0.195454 0.369684 0.854899 -0.149306 2C 5s 0.869376 -1.932770 -0.402633 0.674401 -0.295501 0.155398 2C 1pz 0.025742 -0.029184 -0.027196 -0.005048 -0.035372 -0.020512 2C 1px 0.009198 -0.071050 -0.162066 -0.058787 -0.110064 -0.041431 2C 1py 0.019629 0.009551 0.068582 0.033767 0.011087 0.044325 2C 2pz 0.156496 0.205093 0.418980 0.214713 0.868965 -0.038531 2C 2px -0.684821 0.209088 0.118945 0.031530 -0.059807 0.070001 2C 2py 0.143060 0.022536 -0.100672 0.110730 0.509719 -0.029640 2C 3pz 0.039749 -0.363661 -0.213271 0.157412 -0.137208 0.011514 2C 3px -0.027110 -0.121051 0.071316 0.078831 -0.043934 0.019684 2C 3py -0.076201 -0.322133 -0.057632 0.041240 -0.075576 -0.029311 2C 1dz2 0.036965 0.051192 0.209342 0.053930 0.120058 0.043473 2C 1dxz 0.176720 0.064109 0.398713 0.156359 0.292481 0.086480 2C 1dyz 0.083600 -0.052898 -0.152056 -0.039942 -0.076320 -0.018589 2C 1dx2y2 -0.101873 -0.035840 -0.072838 -0.030700 -0.089327 0.008330 2C 1dxy 0.043809 -0.068110 -0.035053 -0.038323 -0.012330 -0.094173 2C 2dz2 0.093257 0.011635 -0.069115 0.010130 0.106622 0.002864 2C 2dxz -0.315147 -0.037627 -0.333951 -0.013304 -0.154551 0.022715 2C 2dyz -0.030457 0.106386 0.091811 0.008089 0.300150 -0.045774 2C 2dx2y2 -0.084147 0.107969 0.189198 0.020166 -0.048650 0.052649 2C 2dxy -0.277449 0.221780 0.314046 0.114151 0.132390 0.125855 2C 1f0 0.065847 -0.066122 -0.052342 -0.025066 -0.017074 -0.051243 2C 1f+1 0.146347 0.043184 0.153484 0.061393 0.222308 -0.035310 2C 1f-1 -0.207719 -0.026588 -0.202390 -0.053205 -0.129362 0.023871 2C 1f+2 -0.080689 0.014481 0.009161 0.020072 -0.050531 0.141617 2C 1f-2 -0.167560 0.081707 0.077426 0.068447 0.040493 0.117328 2C 1f+3 0.038793 0.009185 -0.070767 -0.036885 0.008687 -0.047066 2C 1f-3 0.002367 0.030018 0.227705 0.134981 0.139174 0.217204 3C 1s -0.001843 -0.010758 0.002134 -0.003517 0.005665 -0.001484 3C 2s -0.003981 -0.029244 0.004664 -0.010971 0.018733 -0.003112 3C 3s -0.118067 -0.082145 0.111591 0.060251 -0.257401 -0.078386 3C 4s 0.524455 1.022503 -0.505237 0.140734 0.937733 0.576244 3C 5s -1.067198 -0.059112 1.418356 0.428974 -1.512325 -0.324639 3C 1pz -0.028982 0.003869 0.035853 -0.118520 0.128168 -0.062949 3C 1px -0.028547 -0.019638 0.025279 0.058966 -0.109643 0.008305 3C 1py 0.014101 -0.004873 -0.001851 -0.049127 0.096554 -0.020035 3C 2pz 0.069520 -0.456048 0.069576 0.240174 0.393789 0.232848 3C 2px 0.265765 0.371338 -0.232732 -0.002586 0.220620 -0.048155 3C 2py -0.022926 0.073789 0.089553 0.098438 -0.946575 -0.232532 3C 3pz -0.232244 0.160612 0.073225 0.123590 -0.261526 0.035738 3C 3px 0.015830 0.062690 0.041589 -0.022008 -0.107809 -0.016162 3C 3py 0.148786 -0.128648 -0.291406 -0.171961 0.399619 0.033293 3C 1dz2 0.068700 0.002564 0.017187 0.075866 -0.101682 -0.045205 3C 1dxz 0.056325 -0.111359 -0.015407 -0.050758 0.124986 0.041528 3C 1dyz -0.009131 -0.010315 0.019134 -0.217410 0.307672 -0.048719 3C 1dx2y2 0.085453 0.058876 -0.079303 0.268724 -0.354963 0.109735 3C 1dxy 0.009478 0.142724 -0.067117 0.121622 -0.201914 0.022483 3C 2dz2 -0.045729 -0.188894 0.008166 0.200974 -0.232479 0.151400 3C 2dxz -0.096764 0.170693 0.014158 0.068519 0.020861 -0.022516 3C 2dyz -0.058145 0.227137 0.062987 0.151562 -0.536919 -0.115165 3C 2dx2y2 -0.000929 0.118072 -0.027510 -0.381231 0.233727 -0.143811 3C 2dxy -0.128818 -0.280191 0.147131 -0.135963 0.021390 0.020722 3C 1f0 -0.036963 -0.140560 0.049489 -0.147030 0.170864 0.055011 3C 1f+1 -0.024975 0.142930 0.065826 -0.177113 0.217018 -0.260989 3C 1f-1 -0.003049 0.080884 0.001040 -0.051521 0.059547 -0.065399 3C 1f+2 -0.052760 -0.147659 0.053844 -0.105476 0.166538 0.007451 3C 1f-2 -0.001876 0.085772 0.025794 -0.017947 -0.092461 -0.185956 3C 1f+3 -0.028369 0.128239 0.021964 -0.085917 0.183718 -0.137028 3C 1f-3 -0.018020 0.263898 -0.010515 -0.046893 -0.036129 -0.165790 4C 1s 0.000476 0.000221 -0.003480 -0.001495 0.001452 0.000808 4C 2s 0.002218 -0.001611 -0.011411 -0.003868 0.001935 0.002260 4C 3s -0.482977 0.265643 0.015771 -0.152981 -0.111078 -0.060449 4C 4s 2.277968 -1.301181 0.574037 1.025396 0.567378 0.340276 4C 5s 0.896294 0.641794 0.845257 0.462749 0.974402 0.263414 4C 1pz -0.086032 -0.007018 -0.053182 -0.019848 -0.083600 0.050402 4C 1px 0.140600 -0.065519 -0.006830 -0.023251 -0.010232 -0.024325 4C 1py 0.006167 -0.048777 -0.114899 -0.042754 -0.081659 -0.062091 4C 2pz 0.776747 -0.075754 0.380721 0.349068 1.113405 -0.262606 4C 2px -1.524687 0.462120 0.133521 0.271308 -0.061739 0.184336 4C 2py -0.097224 0.169096 0.507907 0.412205 0.672524 0.338712 4C 3pz 0.656115 -1.691550 -0.009658 0.808130 -0.053903 0.168562 4C 3px 0.374251 0.120984 0.041684 0.092783 0.251498 0.116337 4C 3py 0.686836 -0.887489 -0.319818 0.562995 -0.054199 0.097140 4C 1dz2 -0.031953 -0.056963 -0.162710 -0.047759 -0.025045 -0.094975 4C 1dxz 0.110907 -0.012428 -0.152614 -0.064090 -0.003655 -0.051793 4C 1dyz -0.053517 0.051791 0.144115 0.060296 0.081048 0.050439 4C 1dx2y2 0.119221 -0.009623 0.012690 -0.038856 0.033358 -0.055679 4C 1dxy 0.114533 0.049712 0.101078 0.007216 0.087552 -0.000731 4C 2dz2 0.384847 -0.001207 0.005936 -0.307541 -0.334354 -0.139419 4C 2dxz -1.604651 0.539001 0.358294 0.104737 -0.383995 0.280053 4C 2dyz 0.250489 -0.124076 -0.190355 -0.136636 -0.376634 0.031434 4C 2dx2y2 0.263586 -0.245696 0.159140 0.407761 0.416946 0.053005 4C 2dxy -0.721738 0.066395 0.181662 0.299860 0.003738 0.164878 4C 1f0 -0.101816 -0.037580 -0.168214 -0.085201 -0.123461 -0.064664 4C 1f+1 -0.088890 0.023481 -0.160744 -0.046636 -0.105268 0.118159 4C 1f-1 0.074080 -0.039027 -0.052883 -0.036417 -0.016191 -0.065665 4C 1f+2 0.410844 -0.090175 -0.061587 -0.036722 0.120808 -0.154472 4C 1f-2 -0.275197 0.089556 0.033338 0.027137 0.012448 -0.121585 4C 1f+3 0.308090 0.013484 0.164407 0.048146 0.152803 0.140391 4C 1f-3 0.111137 0.014679 -0.072551 -0.141713 -0.019670 -0.228578 5C 1s 0.000413 -0.001833 -0.000780 0.003349 -0.000432 -0.000941 5C 2s -0.000423 -0.004956 -0.000754 0.010776 -0.004224 -0.002561 5C 3s 0.242167 0.262850 -0.302056 -0.063527 0.073778 0.060664 5C 4s -1.217310 -1.087277 1.602090 -0.306458 0.069601 -0.341045 5C 5s 0.127598 -0.630102 0.256126 -0.846211 0.703415 -0.210593 5C 1pz 0.006144 0.079043 -0.014666 0.072270 -0.107650 0.024295 5C 1px 0.028984 -0.190779 0.001334 0.053731 -0.074893 0.094893 5C 1py 0.030310 -0.051254 -0.014547 -0.021143 0.080736 0.082740 5C 2pz -0.097211 -0.652612 0.257329 -0.146141 0.725695 0.006531 5C 2px 0.075749 1.595496 -0.243465 -0.274272 0.505376 -0.567144 5C 2py -0.064536 0.410887 -0.066914 -0.001095 -1.018652 -0.628026 5C 3pz -0.140949 -0.053871 0.777308 0.213570 -0.977717 -0.082115 5C 3px -0.809285 0.034720 0.616516 0.125639 -0.397324 -0.129817 5C 3py 0.961457 -0.150965 -1.181019 -0.039586 1.308663 0.252559 5C 1dz2 -0.026678 0.154526 0.022770 -0.031335 -0.043553 -0.090471 5C 1dxz -0.070103 0.051813 0.036019 -0.004011 -0.014000 -0.040047 5C 1dyz -0.002978 -0.077758 0.010938 0.136056 -0.197441 0.040658 5C 1dx2y2 -0.085966 -0.043161 0.070558 -0.170317 0.179080 -0.084506 5C 1dxy 0.051632 0.065458 -0.026809 -0.038277 -0.017493 -0.031571 5C 2dz2 0.134997 -0.588626 -0.061242 0.176577 -0.075637 0.115349 5C 2dxz 0.307328 0.607876 -0.376673 -0.226745 -0.036822 -0.278722 5C 2dyz 0.193713 0.817225 -0.320794 -0.193197 0.544497 -0.096527 5C 2dx2y2 -0.024400 0.444982 0.099497 0.136417 0.311879 -0.106650 5C 2dxy -0.284539 -1.260643 0.357641 0.404095 -0.007719 0.598820 5C 1f0 0.099011 0.252325 -0.117622 0.063559 -0.135300 -0.023367 5C 1f+1 -0.006795 -0.086852 -0.077373 0.029380 -0.022514 0.312239 5C 1f-1 0.046378 0.162302 -0.101240 0.110989 -0.111547 0.153496 5C 1f+2 -0.114015 -0.194795 0.142443 -0.075549 0.109535 -0.219684 5C 1f-2 -0.024880 -0.461176 0.089981 0.119454 -0.057961 0.239095 5C 1f+3 0.016125 -0.075577 -0.012392 0.104320 -0.101465 0.039627 5C 1f-3 -0.069923 0.083822 0.013160 -0.107908 0.190541 0.118378 6C 1s -0.000362 0.001784 0.000797 -0.002877 0.001707 -0.000907 6C 2s 0.000627 0.004889 0.000950 -0.010953 0.003090 -0.002462 6C 3s -0.261998 -0.273226 0.286730 0.083496 0.034442 0.060451 6C 4s 1.292481 1.130495 -1.545197 0.331336 -0.194642 -0.341627 6C 5s -0.092406 0.664001 -0.233213 1.135238 0.052281 -0.216495 6C 1pz 0.005346 0.073880 -0.019622 0.122552 0.044643 -0.026040 6C 1px 0.025476 -0.187170 -0.000051 0.085810 0.026382 -0.092237 6C 1py 0.029230 -0.052536 -0.007714 -0.066150 -0.054544 -0.081140 6C 2pz -0.107063 -0.630324 0.295258 -0.556855 -0.495731 0.006193 6C 2px 0.099351 1.571869 -0.232282 -0.508624 -0.232747 0.539278 6C 2py -0.047904 0.417903 -0.137497 0.613178 0.825677 0.616431 6C 3pz -0.223051 -0.138513 0.656931 0.700965 0.708037 0.072215 6C 3px -0.860313 -0.018360 0.551520 0.306091 0.283031 0.139119 6C 3py 1.104292 -0.023107 -0.987726 -0.725698 -1.109444 -0.247935 6C 1dz2 0.027394 -0.153704 -0.015820 0.000673 -0.056513 -0.090791 6C 1dxz 0.071201 -0.050368 -0.032809 -0.002964 -0.015317 -0.042878 6C 1dyz 0.009215 0.084649 -0.000401 -0.223687 -0.078907 0.040988 6C 1dx2y2 0.078370 0.034122 -0.078636 0.240442 0.042855 -0.087539 6C 1dxy -0.053525 -0.067339 0.028414 0.019467 -0.036878 -0.028653 6C 2dz2 -0.140683 0.569451 0.051999 -0.193142 0.053819 0.108583 6C 2dxz -0.339750 -0.617071 0.379054 0.142921 -0.156285 -0.259280 6C 2dyz -0.218007 -0.822104 0.284236 0.467490 0.331146 -0.086208 6C 2dx2y2 0.049208 -0.413286 -0.102815 0.089290 0.314163 -0.089292 6C 2dxy 0.317221 1.254216 -0.372331 -0.316288 0.235923 0.568953 6C 1f0 0.100741 0.242985 -0.124884 0.133791 0.069948 0.017741 6C 1f+1 -0.005413 -0.086520 -0.068386 0.036880 -0.007098 -0.305845 6C 1f-1 0.044159 0.147604 -0.103283 0.153698 0.021387 -0.156984 6C 1f+2 -0.114920 -0.184110 0.141102 -0.127832 -0.038383 0.220293 6C 1f-2 -0.036909 -0.459552 0.092162 0.123800 -0.026319 -0.230685 6C 1f+3 0.014677 -0.076045 -0.014321 0.142795 0.018323 -0.037230 6C 1f-3 -0.070364 0.076587 0.024520 -0.199564 -0.089600 -0.117991 7C 1s -0.000442 -0.000267 0.003326 0.002090 0.000464 0.000805 7C 2s -0.002217 0.001431 0.010954 0.004318 -0.000131 0.002309 7C 3s 0.497196 -0.245079 0.017218 0.068445 -0.190999 -0.068518 7C 4s -2.331103 1.217142 -0.708917 -0.549902 1.077836 0.373011 7C 5s -0.918093 -0.689229 -0.934325 0.155397 1.046837 0.267031 7C 1pz -0.086731 -0.008707 -0.057647 0.033998 0.078530 -0.047826 7C 1px 0.134004 -0.064543 -0.006133 -0.011711 0.019723 0.019682 7C 1py 0.009715 -0.047745 -0.117583 0.011563 0.086672 0.060640 7C 2pz 0.788019 -0.051696 0.457918 -0.377760 -1.102847 0.240006 7C 2px -1.495220 0.446922 0.115835 0.247287 -0.080914 -0.140579 7C 2py -0.105404 0.175591 0.555660 -0.056371 -0.772079 -0.330350 7C 3pz 0.800301 -1.559162 0.158620 0.776420 -0.477793 -0.190238 7C 3px 0.402011 0.151354 0.085053 -0.056137 -0.261208 -0.129391 7C 3py 0.795739 -0.804336 -0.206488 0.544610 -0.330164 -0.115521 7C 1dz2 0.023604 0.053450 0.161828 0.027545 -0.041581 -0.096119 7C 1dxz -0.120463 0.007298 0.146564 0.050915 -0.031533 -0.047265 7C 1dyz 0.059085 -0.048216 -0.143115 -0.001565 0.093025 0.049048 7C 1dx2y2 -0.115577 0.011763 -0.006700 0.054752 0.001942 -0.056307 7C 1dxy -0.109013 -0.047291 -0.099547 0.046339 0.069843 0.000723 7C 2dz2 -0.361141 0.015757 0.029276 0.050591 -0.449451 -0.119898 7C 2dxz 1.620728 -0.499494 -0.290082 -0.304526 -0.292293 0.228581 7C 2dyz -0.251952 0.119054 0.205036 -0.119354 -0.376065 0.032908 7C 2dx2y2 -0.301244 0.214431 -0.229450 -0.096434 0.588733 0.062986 7C 2dxy 0.703253 -0.071993 -0.191844 -0.245175 0.167218 0.137937 7C 1f0 -0.099305 -0.038259 -0.172750 0.000227 0.143399 0.064518 7C 1f+1 -0.087537 0.024290 -0.161742 0.024345 0.105453 -0.115177 7C 1f-1 0.075198 -0.039069 -0.054812 -0.022084 0.031711 0.061238 7C 1f+2 0.420829 -0.079198 -0.044888 -0.102737 -0.086445 0.143147 7C 1f-2 -0.259902 0.084521 0.025941 0.009486 -0.019870 0.128148 7C 1f+3 0.288670 0.016517 0.174369 -0.043684 -0.148185 -0.144682 7C 1f-3 0.110537 0.011170 -0.080237 -0.107742 0.096389 0.218688 8C 1s 0.001938 0.010499 -0.002266 0.006212 0.002492 -0.001481 8C 2s 0.004171 0.028500 -0.005247 0.019982 0.008698 -0.003127 8C 3s 0.122398 0.084021 -0.095128 -0.199999 -0.176632 -0.077408 8C 4s -0.530359 -1.000898 0.431156 0.446267 0.853245 0.569301 8C 5s 1.198916 0.165065 -1.230758 -1.174463 -1.047959 -0.312245 8C 1pz -0.025933 0.007957 0.040171 -0.169980 -0.031667 0.063379 8C 1px -0.030351 -0.020206 0.019766 0.114757 0.055296 -0.007049 8C 1py 0.016287 -0.001067 0.002194 -0.094651 -0.048667 0.020415 8C 2pz 0.051319 -0.463053 0.094300 -0.047801 -0.458264 -0.229736 8C 2px 0.275942 0.374403 -0.219375 -0.127467 -0.178338 0.038067 8C 2py -0.023705 0.060894 0.026791 0.641051 0.714448 0.225896 8C 3pz -0.252738 0.143461 0.048083 0.245763 0.146053 -0.034951 8C 3px 0.006953 0.053314 0.027116 0.039589 0.103542 0.013427 8C 3py 0.174039 -0.102125 -0.251384 -0.362710 -0.238403 -0.030722 8C 1dz2 -0.069162 0.000680 -0.011039 -0.118139 -0.037252 -0.043774 8C 1dxz -0.054469 0.111605 0.009266 0.117678 0.073699 0.044451 8C 1dyz 0.003981 0.002134 -0.031107 0.355934 0.119134 -0.049127 8C 1dx2y2 -0.079042 -0.048668 0.091305 -0.421418 -0.123460 0.110643 8C 1dxy -0.009925 -0.137742 0.076627 -0.222561 -0.091396 0.024555 8C 2dz2 0.061091 0.198324 0.001971 -0.296184 -0.069437 0.149882 8C 2dxz 0.098907 -0.167426 -0.015925 -0.041055 0.053708 -0.022103 8C 2dyz 0.066188 -0.209888 -0.029028 -0.433942 -0.349824 -0.111984 8C 2dx2y2 -0.014456 -0.127748 0.022804 0.434603 -0.038747 -0.139747 8C 2dxy 0.129227 0.273441 -0.146521 0.126769 -0.062985 0.012683 8C 1f0 -0.036982 -0.133339 0.057631 -0.222645 -0.051075 -0.048663 8C 1f+1 -0.021513 0.139674 0.070122 -0.269684 -0.065406 0.258814 8C 1f-1 -0.002463 0.080764 0.002356 -0.077736 -0.016232 0.067588 8C 1f+2 -0.053047 -0.147782 0.059683 -0.183139 -0.071740 -0.012120 8C 1f-2 -0.001460 0.079850 0.016374 0.043600 0.088294 0.181032 8C 1f+3 -0.024735 0.124422 0.028486 -0.176413 -0.095071 0.132015 8C 1f-3 -0.012596 0.260360 -0.014920 -0.016445 0.059283 0.165142 9C 1s -0.010079 -0.001299 -0.004711 0.002964 0.003871 0.000942 9C 2s -0.027094 -0.005309 -0.015062 0.009080 0.012472 0.002306 9C 3s -0.153191 0.132252 0.121722 -0.082457 -0.169134 0.017581 9C 4s 1.117291 -0.353021 -0.249250 0.219660 0.899823 -0.152298 9C 5s -0.996869 1.817146 0.261441 -0.794710 0.211131 0.172916 9C 1pz 0.029720 -0.027227 -0.025520 0.015876 0.028098 0.020054 9C 1px 0.014261 -0.069893 -0.164055 0.016343 0.116497 0.038616 9C 1py 0.014980 0.007194 0.064964 0.023547 -0.022973 -0.044163 9C 2pz 0.151303 0.208192 0.466855 -0.341637 -0.818979 0.032351 9C 2px -0.698937 0.194296 0.097557 0.056185 0.048857 -0.051368 9C 2py 0.148212 0.041060 -0.061945 -0.219798 -0.481752 0.029437 9C 3pz 0.072340 -0.339796 -0.186466 0.221424 0.003896 -0.015739 9C 3px -0.025456 -0.119064 0.072802 0.092630 -0.008422 -0.017532 9C 3py -0.051552 -0.307004 -0.036010 0.088272 0.027339 0.025966 9C 1dz2 -0.026092 -0.048035 -0.203162 0.023726 0.113013 0.041254 9C 1dxz -0.160651 -0.064093 -0.407523 0.041029 0.312196 0.085419 9C 1dyz -0.090510 0.048565 0.144027 -0.011372 -0.072587 -0.014368 9C 1dx2y2 0.104309 0.036820 0.077229 -0.029707 -0.089458 0.012535 9C 1dxy -0.049671 0.066081 0.032797 0.026216 -0.026830 -0.091943 9C 2dz2 -0.093864 -0.014146 0.050375 0.055755 0.101849 0.010167 9C 2dxz 0.291955 0.031531 0.325411 -0.076937 -0.117461 0.017319 9C 2dyz 0.039842 -0.103385 -0.092816 0.177119 0.238587 -0.048444 9C 2dx2y2 0.092888 -0.096723 -0.168368 -0.044473 -0.040980 0.045025 9C 2dxy 0.297841 -0.209026 -0.301655 -0.017657 0.149657 0.114312 9C 1f0 0.066682 -0.063569 -0.049463 -0.010191 0.024644 0.046943 9C 1f+1 0.144431 0.046208 0.161914 -0.081626 -0.209526 0.037629 9C 1f-1 -0.201559 -0.029922 -0.207051 0.029336 0.129472 -0.020893 9C 1f+2 -0.072609 0.012726 0.007265 0.046486 0.030178 -0.133834 9C 1f-2 -0.164567 0.080451 0.082802 0.034036 -0.071038 -0.117101 9C 1f+3 0.041662 0.010193 -0.073676 -0.038382 0.013465 0.054403 9C 1f-3 0.006096 0.028309 0.233098 0.030249 -0.182687 -0.209503 10H 1s -0.074877 -0.054155 -0.224390 -0.066105 -0.142954 -0.008726 10H 2s 0.683633 -0.015314 0.288410 0.150321 0.454418 0.065197 10H 3s -0.270042 0.112229 -0.156729 -0.091364 -0.132055 -0.057296 10H 1pz 0.311204 0.027818 0.208565 0.073248 0.254343 -0.010260 10H 1px -0.230585 -0.026069 -0.219035 -0.082260 -0.194561 -0.051088 10H 1py 0.059299 -0.012074 0.030675 0.040738 0.053878 0.078639 11H 1s 0.064701 0.073816 0.239871 0.071297 0.154028 0.052693 11H 2s 0.116623 0.050197 0.049675 -0.128775 -0.039123 -0.066114 11H 3s -0.086018 0.125396 0.070070 0.043508 0.017719 0.028948 11H 1pz -0.087345 -0.029112 -0.135331 -0.068574 -0.164937 0.020814 11H 1px 0.154725 -0.021850 -0.042649 -0.083642 -0.004969 -0.133928 11H 1py -0.073663 0.019409 0.042536 0.028515 -0.002066 0.004053 12H 1s 0.054628 -0.035161 -0.062890 -0.031727 -0.012741 -0.031322 12H 2s 0.300250 -0.034062 -0.118867 -0.043159 0.013505 0.071944 12H 3s -0.171923 0.085098 0.034569 -0.062828 -0.012817 -0.064372 12H 1pz -0.080170 -0.048119 -0.130460 -0.040645 -0.084643 -0.033749 12H 1px 0.071806 0.063400 0.216297 0.088215 0.132255 0.150982 12H 1py 0.132129 -0.053339 -0.145598 -0.055405 -0.056799 -0.006554 13H 1s -0.018460 0.074671 -0.001227 0.156152 -0.224745 -0.012959 13H 2s -0.220400 -0.494339 0.228443 -0.128859 0.384094 -0.050057 13H 3s 0.082670 0.205654 -0.163622 0.091681 -0.112827 0.075300 13H 1pz -0.059940 -0.102092 0.077456 -0.083254 0.174579 -0.110668 13H 1px 0.032388 0.207249 -0.049200 0.144407 -0.235600 -0.011960 13H 1py 0.072184 0.224927 -0.075305 0.093247 -0.218623 -0.051094 14H 1s 0.050934 -0.064788 -0.016888 0.089465 -0.081462 0.035171 14H 2s -0.024537 -0.370496 0.079785 0.057780 -0.026575 -0.080214 14H 3s 0.065719 0.135629 -0.153348 -0.008777 0.030099 0.087853 14H 1pz -0.014153 -0.129217 0.002950 0.180880 -0.229735 0.105174 14H 1px -0.043348 -0.138493 0.088510 -0.127957 0.170003 -0.152415 14H 1py -0.039444 -0.041588 0.030072 -0.041806 0.061729 0.009967 15H 1s -0.012455 -0.081023 0.043037 -0.206350 0.292104 -0.054295 15H 2s -0.107205 -0.168025 -0.050733 -0.044187 -0.002759 0.020902 15H 3s 0.107902 0.054641 -0.032317 -0.067505 0.118147 -0.011257 15H 1pz 0.006197 0.157427 0.016058 -0.044264 0.021255 -0.076852 15H 1px 0.019711 -0.157726 -0.028315 0.030721 -0.011427 0.147350 15H 1py 0.042668 -0.051628 0.018681 -0.105122 0.209176 0.037175 16H 1s 0.018320 0.053342 0.015837 -0.002807 0.007083 0.008074 16H 2s 0.110478 0.039858 -0.067691 0.006141 -0.106675 -0.056663 16H 3s -0.058535 0.032770 0.035507 -0.019891 0.029929 -0.008314 16H 1pz 0.064621 0.062271 -0.023402 0.004693 -0.033652 -0.014367 16H 1px -0.012686 0.014663 0.007760 0.015103 -0.003059 0.004389 16H 1py 0.030564 0.025540 -0.002271 -0.010490 0.004530 0.001886 17H 1s -0.036390 0.002563 0.010473 0.024615 -0.024228 0.012451 17H 2s -0.057612 -0.009153 -0.052923 0.121142 -0.110108 -0.052331 17H 3s 0.001025 0.017657 0.025537 -0.020953 0.023817 -0.007982 17H 1pz 0.025161 -0.010180 -0.002643 -0.044745 0.040084 0.009386 17H 1px 0.031317 0.026648 -0.004968 -0.036151 0.034051 0.012680 17H 1py -0.044865 -0.010711 0.002341 0.036760 -0.023927 0.001403 18H 1s 0.036915 -0.002710 -0.008890 -0.033758 -0.005838 0.011059 18H 2s 0.062997 0.006095 0.062999 -0.161591 -0.020953 -0.057483 18H 3s -0.005826 -0.017933 -0.029294 0.028040 0.006257 -0.006759 18H 1pz 0.027121 -0.010893 0.001256 -0.060173 -0.008051 -0.011218 18H 1px 0.032897 0.026764 -0.001657 -0.048789 -0.007468 -0.015121 18H 1py -0.046530 -0.011006 0.000137 0.041267 -0.001567 0.000824 19H 1s -0.018171 -0.053588 -0.016200 0.006321 0.003426 0.008419 19H 2s -0.113750 -0.044682 0.073629 -0.071485 -0.086063 -0.047797 19H 3s 0.062568 -0.030187 -0.035404 0.035077 0.011129 -0.010525 19H 1pz 0.065693 0.064965 -0.024436 0.025026 0.025282 0.010286 19H 1px -0.012699 0.014640 0.007466 0.013748 -0.006196 -0.003571 19H 1py 0.032081 0.027070 -0.001912 -0.009580 0.003790 -0.003326 20H 1s 0.005888 0.070699 -0.056211 0.334861 0.112820 -0.054869 20H 2s 0.104709 0.156577 0.047227 0.030059 -0.022604 0.020387 20H 3s -0.117984 -0.058348 0.021259 0.120973 0.057655 -0.012320 20H 1pz 0.009885 0.156174 0.014230 -0.047678 0.011490 0.075775 20H 1px 0.017709 -0.154805 -0.025271 0.029085 -0.013520 -0.145737 20H 1py 0.043298 -0.051349 0.027997 -0.209365 -0.106124 -0.036532 21H 1s -0.047627 0.067310 0.019388 -0.115517 -0.010140 0.036229 21H 2s 0.030665 0.365011 -0.072365 -0.063079 0.008241 -0.080406 21H 3s -0.071075 -0.135580 0.144024 0.023455 0.026613 0.086700 21H 1pz -0.020799 -0.130309 -0.006440 0.280931 0.078581 -0.102970 21H 1px -0.040782 -0.130348 0.091569 -0.201471 -0.057389 0.153006 21H 1py -0.038624 -0.039567 0.034044 -0.073044 -0.025992 -0.007118 22H 1s 0.021340 -0.070669 0.012154 -0.260014 -0.091026 -0.011735 22H 2s 0.234271 0.493306 -0.240597 0.340756 0.229383 -0.051485 22H 3s -0.088795 -0.205941 0.160478 -0.145914 -0.031706 0.073996 22H 1pz -0.063165 -0.102481 0.081354 -0.173748 -0.089025 0.109210 22H 1px 0.032334 0.199216 -0.059807 0.256042 0.105047 0.010637 22H 1py 0.074950 0.220702 -0.086040 0.208067 0.121774 0.048709 23H 1s -0.058706 0.031248 0.056023 0.021169 -0.020546 -0.030529 23H 2s -0.290645 0.025914 0.118370 0.041579 -0.014763 0.075210 23H 3s 0.171118 -0.078185 -0.029150 0.048608 -0.047638 -0.064562 23H 1pz -0.075908 -0.047530 -0.135029 0.014949 0.089204 0.035640 23H 1px 0.060079 0.061012 0.216834 -0.002500 -0.146558 -0.147207 23H 1py 0.128007 -0.049179 -0.146126 -0.010784 0.074723 0.001741 24H 1s -0.050917 -0.068352 -0.235337 0.030642 0.151938 0.050022 24H 2s -0.104097 -0.044578 -0.036461 0.081331 -0.109390 -0.064847 24H 3s 0.093208 -0.118320 -0.062379 -0.021504 0.033122 0.027526 24H 1pz -0.085462 -0.031685 -0.140956 0.041887 0.167169 -0.021107 24H 1px 0.153399 -0.019858 -0.043556 -0.068264 0.048252 0.130198 24H 1py -0.075202 0.017743 0.041190 0.023922 -0.012099 -0.002129 25H 1s 0.068137 0.052830 0.225754 -0.029885 -0.145517 -0.008400 25H 2s -0.684626 -0.001558 -0.325471 0.139061 0.455940 0.071490 25H 3s 0.268714 -0.105889 0.169699 0.001313 -0.157420 -0.057459 25H 1pz 0.306192 0.032982 0.221929 -0.088004 -0.244159 0.007493 25H 1px -0.223871 -0.028975 -0.227721 0.045101 0.198757 0.051143 25H 1py 0.064273 -0.008029 0.040186 0.002845 -0.069715 -0.077796 26O 1s 0.022802 -0.001927 0.007611 0.003685 0.011147 0.006684 26O 2s 0.080594 -0.008271 0.021361 0.009736 0.034831 0.021810 26O 3s -0.701903 0.088291 -0.067281 0.011219 -0.199466 -0.130208 26O 4s 1.854283 -0.329858 -0.200429 -0.405832 0.085369 0.055086 26O 5s -1.137812 0.896231 -0.430981 -0.979740 -0.710581 -0.594914 26O 1pz -0.241358 0.144572 0.141426 0.038607 0.036127 0.007983 26O 1px -0.034205 0.072698 0.048549 0.016784 0.077131 -0.002736 26O 1py -0.121116 0.104145 0.142951 0.037286 0.066134 0.075923 26O 2pz 0.561233 -0.380454 -0.309906 -0.042261 -0.062443 0.017120 26O 2px -0.291781 -0.114879 0.205996 0.313821 0.027322 0.189116 26O 2py 0.113647 -0.246339 -0.225017 0.065332 -0.078133 -0.157138 26O 3pz 0.106382 0.636835 0.218849 -0.032023 0.359105 -0.005684 26O 3px 0.338213 0.164238 0.268658 0.328269 0.606294 0.212203 26O 3py 0.241581 0.401906 0.316970 0.069322 0.481101 0.059540 26O 1dz2 0.003666 -0.000558 -0.009357 -0.002283 -0.002163 -0.001848 26O 1dxz -0.004490 0.001875 0.005419 0.000040 0.000094 0.007686 26O 1dyz 0.000169 0.002603 0.008341 0.000332 0.006749 0.000760 26O 1dx2y2 0.002780 0.004065 0.017161 0.010788 0.010504 0.011069 26O 1dxy -0.001040 0.002398 0.004010 0.002794 0.006611 -0.004565 26O 2dz2 0.054618 0.059488 0.092877 0.041868 0.092661 -0.008143 26O 2dxz -0.123165 0.100678 0.026622 -0.022044 -0.001148 -0.043192 26O 2dyz 0.041287 0.091508 0.066347 0.003141 0.074858 -0.001357 26O 2dx2y2 -0.023237 -0.076180 -0.155814 -0.079207 -0.080822 -0.144077 26O 2dxy -0.007254 0.047832 0.026879 -0.013604 0.007887 0.086806 26O 1f0 0.009680 -0.006041 0.004839 -0.002635 -0.000872 -0.004623 26O 1f+1 0.015732 0.009526 0.014102 -0.006408 0.010792 -0.016265 26O 1f-1 0.027934 -0.006229 0.003418 -0.004844 0.003300 -0.017207 26O 1f+2 -0.033050 0.009028 -0.018530 -0.009342 -0.012539 -0.016315 26O 1f-2 0.015651 -0.002392 -0.009867 -0.000195 0.010049 -0.003924 26O 1f+3 -0.005392 0.012253 0.015372 0.003877 0.001014 0.022643 26O 1f-3 0.016339 -0.005638 -0.034805 -0.020860 -0.022272 -0.007795 27O 1s -0.024586 -0.004843 0.018922 -0.006541 0.007139 -0.008073 27O 2s -0.085655 -0.019808 0.065770 -0.019300 0.018213 -0.026041 27O 3s 0.665709 0.276976 -0.511297 0.081853 -0.021509 0.139365 27O 4s -1.299870 -1.262489 1.056626 0.051482 -0.412928 0.049834 27O 5s 1.868879 -0.398008 -1.771246 0.368716 0.173899 0.628578 27O 1pz 0.048660 0.058887 -0.048786 -0.110734 0.105970 -0.102121 27O 1px 0.032946 0.061597 -0.041338 -0.064529 0.171317 -0.057854 27O 1py -0.139280 -0.205119 0.124827 0.126732 -0.153259 0.022606 27O 2pz -0.103384 -0.152915 0.104940 0.306284 -0.311173 0.323367 27O 2px -0.104837 0.476924 0.107812 -0.086062 -0.047127 -0.138832 27O 2py 0.349965 0.392283 -0.331443 -0.265839 0.305788 0.033853 27O 3pz 0.046832 -0.229878 -0.233855 -0.102920 0.327416 0.033063 27O 3px -0.404039 0.020244 0.425882 -0.187885 0.616784 -0.186464 27O 3py -0.135067 0.175064 0.158116 0.123922 -0.591545 -0.046282 27O 1dz2 -0.002949 -0.001290 -0.002379 0.004280 -0.009437 0.003027 27O 1dxz 0.009197 -0.000564 -0.005360 0.007427 -0.009789 0.011805 27O 1dyz -0.003996 0.004070 0.004478 0.000304 -0.007986 -0.006157 27O 1dx2y2 -0.006193 0.009183 0.000915 -0.009099 0.014131 -0.003852 27O 1dxy -0.001294 -0.001284 -0.001224 0.009659 -0.013145 0.011329 27O 2dz2 -0.030771 0.022762 0.031817 -0.017517 0.011577 -0.028536 27O 2dxz -0.051862 -0.001858 0.062854 -0.140930 0.130908 -0.215929 27O 2dyz 0.034725 0.097239 -0.017177 0.035895 -0.100054 0.027210 27O 2dx2y2 0.048764 -0.052757 -0.014079 0.086074 -0.139372 -0.024190 27O 2dxy -0.041640 -0.124204 0.090128 0.026762 -0.019418 -0.054463 27O 1f0 0.005416 0.006032 -0.003432 0.007974 -0.002719 0.010613 27O 1f+1 0.007387 -0.023554 -0.000278 0.023963 -0.033456 -0.001148 27O 1f-1 0.001645 0.009677 -0.007503 0.010026 -0.005270 0.017868 27O 1f+2 -0.011481 0.031578 0.002993 -0.014350 0.012072 -0.028020 27O 1f-2 0.006042 0.030825 -0.011718 0.005844 -0.014719 0.006661 27O 1f+3 -0.000647 -0.023964 -0.007792 0.003376 0.000804 0.036895 27O 1f-3 0.005252 0.025199 -0.004166 0.011996 -0.008554 -0.005224 28O 1s 0.006776 -0.020555 0.017944 0.013092 0.005647 0.000559 28O 2s 0.014192 -0.070289 0.060915 0.045594 0.016279 0.003343 28O 3s 0.178610 0.494687 -0.438563 -0.349561 -0.019521 -0.066046 28O 4s -1.648568 -0.656595 0.863692 0.710876 -0.415714 0.362248 28O 5s -1.856020 2.281900 -1.010021 -1.384106 -0.727281 -0.227504 28O 1pz 0.147231 0.085501 -0.034973 -0.104350 0.003232 -0.099692 28O 1px -0.083043 -0.009942 -0.070449 -0.023931 -0.086005 -0.016646 28O 1py 0.101957 0.037573 -0.014387 -0.060728 -0.014389 0.035584 28O 2pz 0.478640 -0.416456 0.147247 0.301465 0.292087 0.176463 28O 2px -0.763073 0.250640 0.070514 0.044037 -0.118421 0.190081 28O 2py -0.140201 -0.113974 0.064610 0.160223 0.099917 -0.153379 28O 3pz 0.064027 0.051962 0.083436 0.206103 0.325729 -0.042550 28O 3px -0.622411 0.472340 -0.273922 -0.418117 -0.386239 -0.053144 28O 3py -0.176240 0.172138 0.042669 -0.089196 0.125272 -0.032282 28O 1dz2 0.002283 0.004667 -0.001748 0.000390 -0.001519 0.005062 28O 1dxz -0.022657 0.005398 -0.011877 -0.002302 -0.012705 0.001565 28O 1dyz -0.002813 0.006442 -0.004422 -0.003342 0.000880 -0.006580 28O 1dx2y2 0.013788 -0.005496 0.001304 0.001482 0.004320 -0.004881 28O 1dxy -0.005469 -0.002365 -0.004901 -0.001108 -0.002568 0.007785 28O 2dz2 -0.123818 0.000540 -0.065661 -0.084770 -0.087073 -0.158189 28O 2dxz 0.161997 -0.075820 0.090023 0.075132 0.091835 0.033969 28O 2dyz -0.069091 -0.017233 -0.055745 -0.009270 -0.057572 0.082442 28O 2dx2y2 -0.057332 0.050657 -0.036929 0.002839 0.005812 0.044207 28O 2dxy -0.041283 0.005809 0.035451 0.007561 0.071016 -0.111569 28O 1f0 -0.037859 0.000589 -0.017606 -0.009223 -0.017233 -0.022581 28O 1f+1 -0.021357 0.005286 0.006514 0.006796 -0.003727 0.021427 28O 1f-1 -0.010363 -0.004349 -0.016114 -0.000774 -0.008249 0.007776 28O 1f+2 0.061056 -0.010058 0.002783 -0.000538 0.021989 -0.014383 28O 1f-2 -0.005341 0.007390 -0.001167 -0.003309 0.002455 -0.015623 28O 1f+3 0.030709 -0.000387 0.018611 0.007529 0.021748 -0.000058 28O 1f-3 0.003467 -0.005719 -0.009717 -0.001540 0.000267 -0.006548 29O 1s -0.004696 0.004044 -0.004408 0.000712 -0.000738 -0.001933 29O 2s -0.016160 0.012924 -0.015478 0.001612 -0.002479 -0.006651 29O 3s 0.123589 -0.080515 0.119240 0.005829 0.014122 0.048212 29O 4s -0.200570 0.087913 -0.226537 -0.049278 -0.111923 -0.091346 29O 5s 0.081993 -0.035902 0.308678 -0.016629 0.621905 0.183724 29O 1pz -0.008993 -0.043487 0.019258 -0.004761 -0.013546 0.000329 29O 1px -0.055788 0.068721 -0.020763 0.034033 0.017301 0.002759 29O 1py -0.000623 0.008754 0.005304 -0.000865 0.021826 0.004388 29O 2pz 0.104081 0.144922 -0.066494 -0.022491 0.026723 -0.005106 29O 2px 0.132454 -0.122890 0.045983 -0.102546 0.007407 0.004533 29O 2py -0.002671 -0.001109 -0.016740 0.030719 -0.079457 -0.018697 29O 3pz -0.008563 -0.068287 0.090054 -0.034642 0.034349 -0.001333 29O 3px -0.047198 0.008523 -0.092767 -0.002982 -0.176756 -0.020029 29O 3py 0.033118 -0.002252 -0.029590 0.034913 -0.059625 -0.038872 29O 1dz2 0.003900 -0.001389 0.000864 -0.000150 -0.000827 -0.001048 29O 1dxz 0.001526 0.001410 -0.002637 0.000916 -0.001686 -0.000571 29O 1dyz 0.007661 0.003910 -0.004474 -0.001167 0.001918 0.000583 29O 1dx2y2 -0.000316 0.005226 0.000284 0.001031 0.001888 -0.000626 29O 1dxy -0.002121 0.006111 -0.002122 -0.002254 0.000656 0.000313 29O 2dz2 -0.022297 -0.044787 0.008176 0.005888 -0.002659 -0.000234 29O 2dxz 0.045180 0.016503 -0.006155 -0.028200 0.010445 -0.000265 29O 2dyz -0.036784 -0.037077 -0.001488 0.022532 -0.005017 0.003075 29O 2dx2y2 0.005175 0.031115 -0.002583 0.003749 0.013918 -0.005389 29O 2dxy -0.037051 0.031096 -0.002249 0.031433 -0.025164 -0.001161 29O 1f0 -0.004149 -0.003776 -0.002732 0.001174 -0.001291 -0.001338 29O 1f+1 -0.001055 -0.003818 0.003603 0.002307 0.000764 0.000702 29O 1f-1 -0.001058 -0.007913 -0.001856 0.000334 0.000333 -0.001670 29O 1f+2 0.002155 0.000212 -0.000518 0.000603 0.000447 0.000498 29O 1f-2 0.010206 0.000958 -0.000831 -0.002605 0.004265 -0.001328 29O 1f+3 0.002759 -0.006950 0.002230 0.001693 -0.001660 0.001073 29O 1f-3 -0.000476 -0.002958 0.000940 0.003568 -0.001122 0.001004 30O 1s 0.005754 -0.011181 0.002846 -0.012128 0.006606 0.001771 30O 2s 0.021695 -0.030187 0.007664 -0.042201 0.019727 0.002941 30O 3s -0.229297 -0.017857 0.023725 0.340993 -0.085630 0.073013 30O 4s 0.683255 1.200255 -0.403000 -0.882856 0.008206 -0.661061 30O 5s 0.442576 1.399123 -1.288380 0.622454 0.197502 0.064999 30O 1pz -0.016205 -0.194733 0.024972 -0.013017 0.056078 -0.024807 30O 1px -0.024707 0.027445 0.019593 0.011679 -0.108014 -0.037282 30O 1py -0.026375 0.176844 0.038224 -0.029471 -0.010105 -0.150963 30O 2pz -0.114646 -0.027762 0.131773 0.060399 -0.025620 0.322446 30O 2px 0.234859 0.722992 -0.324914 -0.081530 0.127467 -0.175490 30O 2py 0.233010 0.147977 -0.336749 0.019804 -0.067363 0.199539 30O 3pz 0.144745 -0.231132 -0.035226 -0.101207 0.386719 0.099107 30O 3px 0.116417 0.484549 -0.297670 0.085066 -0.131838 -0.043534 30O 3py -0.456194 0.078263 0.107521 0.020762 -0.409756 -0.133137 30O 1dz2 -0.000351 0.003798 -0.005214 -0.003272 0.001788 0.008883 30O 1dxz -0.001059 0.016237 -0.003503 0.001091 -0.008691 -0.014160 30O 1dyz 0.003080 0.006850 0.001937 -0.000306 -0.005318 -0.007887 30O 1dx2y2 -0.000551 -0.004863 0.002660 -0.000045 0.002028 0.005154 30O 1dxy -0.003656 -0.020137 0.005800 -0.007860 0.010101 0.000664 30O 2dz2 -0.006998 -0.146651 0.083516 -0.025680 -0.006018 -0.167124 30O 2dxz 0.001900 -0.030947 -0.005126 -0.038018 0.047542 0.134446 30O 2dyz -0.078167 -0.064671 0.057440 -0.042381 0.083423 0.035650 30O 2dx2y2 -0.090316 0.055625 0.058335 -0.007326 0.072847 -0.112020 30O 2dxy 0.001958 0.107318 -0.098759 0.039514 -0.091866 0.108409 30O 1f0 0.014338 0.011483 -0.010495 0.000436 -0.008207 -0.011197 30O 1f+1 -0.000880 -0.001882 -0.001631 0.006713 -0.002222 0.013331 30O 1f-1 0.006575 0.004625 -0.013341 0.006281 -0.004803 0.031885 30O 1f+2 -0.011528 -0.028286 0.012199 -0.018138 0.029592 0.000136 30O 1f-2 -0.005613 -0.048395 0.009472 0.013384 -0.003307 0.018578 30O 1f+3 -0.011628 0.011967 0.012228 -0.002422 0.003507 -0.029629 30O 1f-3 -0.011567 -0.041289 0.014125 -0.002134 0.012673 0.009579 31O 1s -0.004981 0.011200 -0.002567 0.014270 -0.001982 0.002019 31O 2s -0.019087 0.030455 -0.006377 0.047713 -0.009549 0.003971 31O 3s 0.214061 0.012338 -0.039767 -0.338895 0.136381 0.059864 31O 4s -0.684344 -1.178447 0.455542 0.727475 -0.523720 -0.610804 31O 5s -0.576616 -1.480176 1.166525 -0.473960 0.587044 0.061499 31O 1pz -0.013954 -0.183816 0.030303 -0.041503 -0.039325 0.028472 31O 1px -0.025720 0.024964 0.010130 0.074114 0.082261 0.038081 31O 1py -0.030617 0.170902 0.029919 -0.020990 0.031311 0.144826 31O 2pz -0.133795 -0.051796 0.129097 0.051406 -0.009951 -0.320297 31O 2px 0.254504 0.720768 -0.314024 -0.133769 -0.060472 0.158134 31O 2py 0.259075 0.158319 -0.322357 0.072538 0.024957 -0.195600 31O 3pz 0.140132 -0.221901 -0.014897 -0.310379 -0.253474 -0.102885 31O 3px 0.148721 0.501578 -0.282522 0.169063 0.042498 0.042640 31O 3py -0.461635 0.067736 0.077945 0.255754 0.324613 0.138608 31O 1dz2 0.000232 -0.003375 0.005016 0.003743 -0.000258 0.008924 31O 1dxz 0.000826 -0.015942 0.004348 -0.006176 -0.006469 -0.013896 31O 1dyz -0.002980 -0.006569 -0.001352 -0.002725 -0.004624 -0.007614 31O 1dx2y2 0.000592 0.004822 -0.002941 0.001344 0.001664 0.005101 31O 1dxy 0.003841 0.019384 -0.006250 0.012527 0.003464 0.000419 31O 2dz2 0.008264 0.139162 -0.077548 0.017893 -0.023852 -0.167740 31O 2dxz -0.000866 0.033366 0.000222 0.059075 0.017531 0.133479 31O 2dyz 0.079634 0.066360 -0.062241 0.085801 0.041096 0.034261 31O 2dx2y2 0.089336 -0.055075 -0.060316 0.050233 0.051059 -0.110417 31O 2dxy -0.004192 -0.103202 0.099775 -0.086707 -0.046559 0.107368 31O 1f0 0.014991 0.012058 -0.010962 0.005274 0.006066 0.010845 31O 1f+1 -0.000963 -0.002564 -0.001412 0.006794 -0.002285 -0.013623 31O 1f-1 0.006661 0.003575 -0.012573 0.007876 -0.000604 -0.031863 31O 1f+2 -0.011421 -0.027107 0.013668 -0.032293 -0.013130 0.000475 31O 1f-2 -0.006979 -0.048276 0.009690 0.011818 -0.005508 -0.017581 31O 1f+3 -0.011463 0.011622 0.011568 -0.003944 -0.000554 0.029050 31O 1f-3 -0.012263 -0.040639 0.014887 -0.010025 -0.008928 -0.008889 32O 1s 0.004711 -0.004041 0.004439 -0.001122 -0.000281 -0.001904 32O 2s 0.016204 -0.012873 0.015567 -0.003157 -0.001367 -0.006546 32O 3s -0.123714 0.079239 -0.119311 0.006729 0.016274 0.047393 32O 4s 0.200621 -0.083909 0.231099 -0.032456 -0.120174 -0.089381 32O 5s -0.083217 0.036271 -0.344766 0.388785 0.498038 0.178345 32O 1pz -0.010121 -0.044374 0.017535 0.003866 0.013741 0.000888 32O 1px -0.056552 0.069798 -0.020460 0.017278 -0.032161 -0.001916 32O 1py -0.001434 0.008035 0.007055 -0.013043 -0.017034 -0.004477 32O 2pz 0.109129 0.148475 -0.060823 -0.032951 -0.009261 -0.003016 32O 2px 0.134995 -0.125894 0.049046 -0.086939 0.049278 -0.007874 32O 2py 0.000510 0.002934 -0.023383 0.069527 0.047589 0.018982 32O 3pz -0.009378 -0.071169 0.089726 -0.049290 -0.004239 -0.000667 32O 3px -0.048423 0.007758 -0.103003 0.102875 0.145298 0.018245 32O 3py 0.032728 -0.000590 -0.033104 0.064499 0.031143 0.037865 32O 1dz2 -0.003980 0.001282 -0.000953 -0.000397 -0.000814 -0.000880 32O 1dxz -0.001485 -0.001363 0.002688 -0.001613 -0.000676 -0.000662 32O 1dyz -0.007928 -0.004228 0.004090 0.001937 0.001055 0.000867 32O 1dx2y2 0.000276 -0.005171 -0.000393 0.000308 0.002047 -0.000683 32O 1dxy 0.002003 -0.006229 0.001971 0.002122 -0.000681 0.000401 32O 2dz2 0.019779 0.043315 -0.007561 -0.004324 0.001555 -0.001679 32O 2dxz -0.048085 -0.016932 0.004817 0.029916 -0.006927 0.001534 32O 2dyz 0.038898 0.038645 0.002123 -0.020331 0.009746 0.000038 32O 2dx2y2 -0.007447 -0.032326 0.001981 0.006169 0.012816 -0.004896 32O 2dxy 0.036341 -0.032815 0.004372 -0.039055 -0.002940 -0.002483 32O 1f0 -0.004287 -0.003482 -0.002665 0.001739 0.000246 0.001356 32O 1f+1 -0.001213 -0.003678 0.003665 0.001499 -0.001885 -0.000671 32O 1f-1 -0.001051 -0.008066 -0.002039 0.000122 -0.000544 0.001763 32O 1f+2 0.001876 0.000540 -0.000491 0.000173 -0.000811 -0.000515 32O 1f-2 0.010309 0.001175 -0.000437 -0.004526 -0.002054 0.000940 32O 1f+3 0.002928 -0.006842 0.002176 0.002240 0.000276 -0.001053 32O 1f-3 -0.000545 -0.003135 0.000867 0.003449 -0.001122 -0.000810 33O 1s -0.006580 0.020002 -0.018937 -0.007926 0.011829 0.000544 33O 2s -0.013677 0.068445 -0.064174 -0.029606 0.038427 0.003054 33O 3s -0.180606 -0.485164 0.454271 0.288318 -0.206693 -0.056186 33O 4s 1.650534 0.664580 -0.842515 -0.849383 0.030252 0.304475 33O 5s 1.937096 -2.161805 1.204166 0.787270 -1.416234 -0.265579 33O 1pz 0.140084 0.080352 -0.044099 -0.090892 0.058244 0.093286 33O 1px -0.076266 -0.010173 -0.073823 0.032467 0.082225 0.016881 33O 1py 0.092909 0.036499 -0.018602 -0.039719 0.047483 -0.038272 33O 2pz 0.494326 -0.384781 0.204449 0.089571 -0.423054 -0.183155 33O 2px -0.776701 0.234030 0.045511 0.098280 0.084327 -0.164222 33O 2py -0.114076 -0.108684 0.080428 0.068873 -0.176168 0.156118 33O 3pz 0.058477 0.054505 0.100388 -0.028443 -0.384470 0.048248 33O 3px -0.635017 0.442697 -0.330853 -0.130283 0.561782 0.064469 33O 3py -0.190266 0.163460 0.033403 -0.153754 -0.044102 0.040916 33O 1dz2 -0.001988 -0.004804 0.001690 -0.001408 -0.000890 0.005105 33O 1dxz 0.021811 -0.005134 0.012507 -0.005421 -0.011306 0.001041 33O 1dyz 0.002506 -0.006267 0.004778 0.003466 -0.001336 -0.006476 33O 1dx2y2 -0.013522 0.005324 -0.001621 0.001384 0.004493 -0.004515 33O 1dxy 0.005590 0.002321 0.004779 -0.000656 -0.002468 0.007670 33O 2dz2 0.119552 0.003983 0.076591 0.021545 -0.119692 -0.157207 33O 2dxz -0.160724 0.071731 -0.098411 -0.009339 0.117513 0.035749 33O 2dyz 0.074524 0.017470 0.058050 -0.027918 -0.050786 0.079424 33O 2dx2y2 0.055134 -0.051104 0.035642 0.001875 0.007379 0.041803 33O 2dxy 0.032728 -0.004851 -0.037157 0.039430 0.060559 -0.111897 33O 1f0 -0.036218 -0.000178 -0.019344 0.001714 0.019206 0.022929 33O 1f+1 -0.021314 0.004755 0.006107 0.007904 -0.000428 -0.020393 33O 1f-1 -0.009137 -0.004013 -0.015723 0.004281 0.006477 -0.007282 33O 1f+2 0.061578 -0.008873 0.005263 -0.013343 -0.018534 0.012704 33O 1f-2 -0.004566 0.007144 -0.001811 -0.004653 0.000306 0.016035 33O 1f+3 0.030558 0.000055 0.019621 -0.006411 -0.021384 -0.000414 33O 1f-3 0.004104 -0.005577 -0.009543 -0.001666 0.000327 0.006715 34O 1s 0.024631 0.005389 -0.018648 0.009641 0.001137 -0.008340 34O 2s 0.085937 0.021725 -0.064483 0.026884 0.000687 -0.027083 34O 3s -0.669137 -0.289153 0.497260 -0.083523 0.049294 0.151295 34O 4s 1.310295 1.266987 -1.016284 -0.275741 -0.329212 0.007875 34O 5s -1.952258 0.285167 1.650313 -0.251830 0.460029 0.628264 34O 1pz 0.053110 0.064549 -0.046101 -0.150251 -0.020834 0.098633 34O 1px 0.038548 0.065965 -0.029780 -0.150154 -0.101750 0.055384 34O 1py -0.147341 -0.205032 0.116225 0.190490 0.052509 -0.017997 34O 2pz -0.116284 -0.169908 0.097086 0.426069 0.070540 -0.313579 34O 2px -0.117403 0.448178 0.085623 -0.049177 0.104591 0.127809 34O 2py 0.371690 0.396662 -0.308664 -0.387712 -0.102489 -0.041542 34O 3pz 0.056359 -0.210672 -0.206469 -0.270076 -0.216455 -0.028415 34O 3px -0.415878 0.006618 0.438262 -0.526810 -0.364717 0.191233 34O 3py -0.149185 0.159109 0.115509 0.445387 0.416380 0.038045 34O 1dz2 0.003040 0.001156 0.002786 -0.008966 -0.004995 0.002855 34O 1dxz -0.009088 0.001066 0.005532 -0.011856 -0.003239 0.011853 34O 1dyz 0.003901 -0.003961 -0.003790 -0.005075 -0.006576 -0.006137 34O 1dx2y2 0.005953 -0.008775 -0.001426 0.015497 0.005912 -0.003625 34O 1dxy 0.001679 0.001767 0.001589 -0.015491 -0.004903 0.011237 34O 2dz2 0.030964 -0.021558 -0.030668 0.020667 -0.003334 -0.027623 34O 2dxz 0.046155 -0.006546 -0.062681 0.189599 0.018279 -0.214162 34O 2dyz -0.034548 -0.092680 0.022006 -0.089080 -0.059762 0.029132 34O 2dx2y2 -0.046616 0.049819 0.020927 -0.151390 -0.060412 -0.023816 34O 2dxy 0.044953 0.118627 -0.087291 -0.032424 -0.003628 -0.054530 34O 1f0 0.005291 0.005443 -0.003203 0.008243 -0.002588 -0.011006 34O 1f+1 0.007087 -0.023357 -0.001728 0.039042 0.012627 0.001422 34O 1f-1 0.001522 0.008504 -0.007318 0.010936 -0.001971 -0.018042 34O 1f+2 -0.010300 0.032203 0.002988 -0.018065 -0.000745 0.027921 34O 1f-2 0.006598 0.029707 -0.012232 0.014307 0.008272 -0.007108 34O 1f+3 -0.000635 -0.023666 -0.006591 0.002237 -0.003580 -0.035914 34O 1f-3 0.004814 0.023548 -0.004816 0.014658 0.000104 0.004565 35O 1s -0.023391 0.001396 -0.008481 0.003055 0.010838 0.006977 35O 2s -0.082673 0.006374 -0.024280 0.010761 0.032927 0.023006 35O 3s 0.715155 -0.073929 0.085877 -0.111918 -0.151671 -0.144563 35O 4s -1.857932 0.305994 0.187425 0.349366 -0.160058 0.107465 35O 5s 1.256762 -0.784350 0.593594 0.461328 -1.149627 -0.611528 35O 1pz -0.243731 0.138110 0.133188 0.007519 -0.042903 0.000578 35O 1px -0.034386 0.068983 0.047967 -0.035549 -0.069857 0.005207 35O 1py -0.131117 0.100567 0.138948 -0.009316 -0.067805 -0.068385 35O 2pz 0.570041 -0.362021 -0.284138 0.010429 0.053737 -0.037001 35O 2px -0.275040 -0.100998 0.225686 0.250316 -0.197091 -0.175185 35O 2py 0.149979 -0.234173 -0.206168 0.100749 0.011142 0.145868 35O 3pz 0.083241 0.620036 0.212353 -0.252947 -0.260503 0.005392 35O 3px 0.358862 0.185113 0.323485 -0.079041 -0.677339 -0.213837 35O 3py 0.230175 0.403877 0.333808 -0.230176 -0.417980 -0.059797 35O 1dz2 -0.003378 0.000385 0.009202 0.000703 -0.002578 -0.001629 35O 1dxz 0.005151 -0.001616 -0.005140 -0.000131 -0.000258 0.007404 35O 1dyz 0.000323 -0.002405 -0.008424 0.003786 0.005397 0.000661 35O 1dx2y2 -0.002337 -0.004070 -0.017613 -0.002850 0.014100 0.010768 35O 1dxy 0.000461 -0.002344 -0.004065 0.001998 0.006794 -0.004808 35O 2dz2 -0.054048 -0.059320 -0.094993 0.020799 0.094581 -0.007917 35O 2dxz 0.116235 -0.097544 -0.020137 0.019080 -0.017510 -0.046434 35O 2dyz -0.040391 -0.091208 -0.067883 0.042263 0.059840 -0.001311 35O 2dx2y2 0.013732 0.075784 0.157922 0.020931 -0.103864 -0.139500 35O 2dxy 0.017015 -0.046321 -0.025065 0.013640 -0.003237 0.084434 35O 1f0 0.008811 -0.006204 0.004702 -0.001623 0.002345 0.004200 35O 1f+1 0.014436 0.008947 0.013275 -0.011585 -0.004006 0.015433 35O 1f-1 0.027757 -0.005905 0.003589 -0.005931 -0.000010 0.016210 35O 1f+2 -0.031143 0.008323 -0.020246 -0.000959 0.015628 0.016838 35O 1f-2 0.016879 -0.001244 -0.007879 -0.006256 -0.009280 0.003603 35O 1f+3 -0.007071 0.011772 0.015113 0.003265 -0.002387 -0.022528 35O 1f-3 0.016393 -0.005600 -0.035689 -0.004323 0.028623 0.006904 546 547 548 549 550 551 3.57189 3.58654 3.62477 3.63285 3.67157 3.67652 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s -0.000292 -0.000606 -0.001016 -0.000171 0.001295 -0.000548 0Rh 2s 0.002504 0.006055 0.007313 0.001875 -0.010773 0.003179 0Rh 3s -0.000226 0.000046 -0.001639 0.000111 0.001214 -0.001344 0Rh 4s -0.013644 -0.032945 -0.040083 -0.010244 0.058916 -0.017482 0Rh 5s 0.029737 0.075286 0.082621 0.024072 -0.126844 0.032464 0Rh 6s -0.026057 -0.081116 -0.047997 -0.027073 0.096059 -0.002389 0Rh 7s 0.056087 0.268558 0.032835 0.133608 0.135559 -0.094963 0Rh 8s -0.042339 -0.030455 0.081281 0.001688 -0.016782 0.108388 0Rh 1pz -0.000461 0.003546 0.006879 -0.001632 -0.003717 -0.000850 0Rh 1px 0.000534 0.002636 0.000816 -0.004162 -0.001283 0.000818 0Rh 1py -0.003490 -0.000578 0.003089 0.004962 0.003349 0.003257 0Rh 2pz 0.001670 -0.013524 -0.026682 0.006335 0.014097 0.003369 0Rh 2px -0.001983 -0.009880 -0.003225 0.016158 0.004985 -0.003266 0Rh 2py 0.012933 0.002171 -0.011945 -0.019238 -0.012135 -0.012686 0Rh 3pz -0.001492 0.025450 0.060198 -0.014921 -0.024243 -0.009241 0Rh 3px 0.002488 0.014630 0.008944 -0.036243 -0.011595 0.009110 0Rh 3py -0.016395 -0.003439 0.026449 0.043383 0.009108 0.029183 0Rh 4pz -0.006179 0.003709 -0.039540 0.015141 -0.015973 0.013000 0Rh 4px 0.006583 0.022060 -0.015336 0.020023 0.010722 -0.012351 0Rh 4py -0.037696 -0.002881 -0.017041 -0.029803 0.062098 -0.018689 0Rh 5pz 0.006711 -0.035124 0.000473 -0.015459 0.071958 -0.021644 0Rh 5px -0.020540 -0.079817 0.044154 0.013329 -0.026765 0.029183 0Rh 5py 0.099161 0.008049 0.000492 0.007742 -0.135759 -0.003210 0Rh 6pz 0.189723 -0.136148 1.015713 -0.416083 0.028129 0.049695 0Rh 6px 0.049372 0.227831 -0.473702 -0.453933 0.378925 -0.545316 0Rh 6py 0.223863 -0.000916 0.537369 0.664900 -0.439034 0.374023 0Rh 1dz2 -0.007992 -0.008975 -0.007359 0.029516 -0.021743 -0.085404 0Rh 1dxz 0.022151 -0.010279 0.010945 0.020549 -0.013521 -0.050766 0Rh 1dyz -0.011430 0.005031 0.005300 -0.011083 0.033692 0.019182 0Rh 1dx2y2 0.001101 -0.016587 0.008689 0.017719 0.021193 -0.070951 0Rh 1dxy 0.021327 0.002456 0.000673 0.015634 -0.075905 0.008555 0Rh 2dz2 0.002953 -0.001330 -0.000983 0.004738 -0.002407 -0.013275 0Rh 2dxz 0.002863 -0.001825 0.000721 0.003353 -0.002488 -0.007071 0Rh 2dyz 0.009089 0.000280 -0.002002 0.000709 0.005342 0.002527 0Rh 2dx2y2 0.001802 -0.002783 0.000106 0.004216 0.001547 -0.011086 0Rh 2dxy 0.006658 0.000403 -0.002061 0.002034 -0.010286 0.000066 0Rh 3dz2 0.014315 0.037462 0.030306 -0.125535 0.087959 0.364300 0Rh 3dxz -0.090100 0.044246 -0.041413 -0.087628 0.059333 0.212562 0Rh 3dyz -0.001672 -0.018804 -0.009240 0.035397 -0.143757 -0.079153 0Rh 3dx2y2 -0.012104 0.070410 -0.031038 -0.082077 -0.081817 0.302738 0Rh 3dxy -0.104561 -0.010400 0.007168 -0.064301 0.316161 -0.030030 0Rh 4dz2 0.013942 -0.044720 -0.034626 0.155407 -0.102497 -0.461695 0Rh 4dxz 0.102930 -0.055797 0.037167 0.108664 -0.076527 -0.258578 0Rh 4dyz 0.083336 0.017664 -0.015122 -0.016076 0.178622 0.084308 0Rh 4dx2y2 0.027025 -0.085388 0.027660 0.118556 0.087352 -0.381399 0Rh 4dxy 0.150263 0.013134 -0.030199 0.075245 -0.387761 0.019408 0Rh 5dz2 0.056559 0.020752 -0.032005 -0.088183 0.066559 0.346028 0Rh 5dxz -0.051724 0.051085 0.071831 -0.075775 0.047534 0.109994 0Rh 5dyz 0.085427 0.010257 0.081596 -0.157489 -0.047432 0.142009 0Rh 5dx2y2 -0.000339 0.040341 0.033582 -0.174538 -0.011746 0.260256 0Rh 5dxy -0.025827 -0.017888 0.126773 -0.013196 0.273747 0.136274 0Rh 1f0 -0.001879 0.005134 0.005104 -0.013655 -0.006481 -0.004210 0Rh 1f+1 0.004160 -0.003792 0.028573 -0.011504 0.003633 -0.001352 0Rh 1f-1 0.009653 -0.005946 0.009952 -0.000279 -0.005702 0.000581 0Rh 1f+2 -0.001116 0.014470 -0.005196 0.008517 -0.015881 0.003058 0Rh 1f-2 0.025342 0.001966 0.001877 0.019264 -0.017704 0.018114 0Rh 1f+3 -0.006782 -0.005540 0.009374 -0.013373 0.002088 0.000588 0Rh 1f-3 -0.002248 0.001417 0.030239 0.022024 0.010409 0.006221 1Rh 1s -0.000301 -0.000687 0.001051 0.000149 0.001391 0.000389 1Rh 2s 0.002588 0.006630 -0.007617 -0.001686 -0.011267 -0.001989 1Rh 3s -0.000231 -0.000091 0.001664 -0.000128 0.001485 0.001116 1Rh 4s -0.014095 -0.036098 0.041743 0.009218 0.061641 0.010972 1Rh 5s 0.030714 0.081765 -0.086264 -0.021865 -0.131602 -0.019054 1Rh 6s -0.026889 -0.084912 0.051208 0.025370 0.094904 -0.004770 1Rh 7s 0.056194 0.267338 -0.036129 -0.135833 0.154645 0.041925 1Rh 8s -0.038214 -0.025470 -0.083400 -0.000159 -0.035741 -0.101768 1Rh 1pz 0.000441 -0.003702 0.006828 -0.001595 0.003452 -0.001705 1Rh 1px -0.000545 -0.002561 0.000822 -0.004160 0.001494 0.000725 1Rh 1py 0.003555 0.000341 0.003091 0.005023 -0.002692 0.003624 1Rh 2pz -0.001590 0.014131 -0.026485 0.006191 -0.013062 0.006561 1Rh 2px 0.002022 0.009585 -0.003246 0.016156 -0.005822 -0.002898 1Rh 2py -0.013187 -0.001252 -0.011948 -0.019468 0.009587 -0.013974 1Rh 3pz 0.001214 -0.026806 0.059828 -0.014564 0.021839 -0.013616 1Rh 3px -0.002561 -0.013915 0.008972 -0.036314 0.013808 0.008117 1Rh 3py 0.017007 0.001379 0.026375 0.043801 -0.003464 0.029191 1Rh 4pz 0.006772 -0.002979 -0.039654 0.014782 0.017840 0.004581 1Rh 4px -0.006585 -0.022590 -0.015276 0.020392 -0.013229 -0.010491 1Rh 4py 0.037151 0.004310 -0.016688 -0.029678 -0.064981 -0.008015 1Rh 5pz -0.007825 0.035460 0.001359 -0.015005 -0.073742 0.003197 1Rh 5px 0.020607 0.079182 0.043982 0.012225 0.031597 0.021606 1Rh 5py -0.098503 -0.008686 -0.000209 0.007089 0.133951 -0.024254 1Rh 6pz -0.190396 0.128827 1.018033 -0.415223 -0.017009 0.085712 1Rh 6px -0.052305 -0.204535 -0.471621 -0.447025 -0.475431 -0.435672 1Rh 6py -0.226063 -0.025533 0.539025 0.660281 0.499924 0.282532 1Rh 1dz2 -0.008285 -0.008873 0.008393 -0.031208 -0.006536 0.089521 1Rh 1dxz 0.022185 -0.009689 -0.010164 -0.021725 -0.005118 0.047595 1Rh 1dyz -0.011179 0.004899 -0.006060 0.012000 0.030323 -0.025453 1Rh 1dx2y2 0.000936 -0.015813 -0.007720 -0.019455 0.032215 0.063944 1Rh 1dxy 0.021473 0.002994 -0.000482 -0.015174 -0.075943 0.005320 1Rh 2dz2 0.002910 -0.001199 0.001149 -0.005045 -0.000081 0.013700 1Rh 2dxz 0.002882 -0.001696 -0.000601 -0.003542 -0.001343 0.006821 1Rh 2dyz 0.009111 0.000416 0.001904 -0.000669 0.004942 -0.003466 1Rh 2dx2y2 0.001751 -0.002726 0.000043 -0.004486 0.003350 0.010289 1Rh 2dxy 0.006669 0.000451 0.002100 -0.001971 -0.010048 0.001920 1Rh 3dz2 0.015530 0.036503 -0.034698 0.132901 0.023320 -0.380827 1Rh 3dxz -0.090305 0.041606 0.038114 0.092631 0.024301 -0.200163 1Rh 3dyz -0.002641 -0.018980 0.012356 -0.038806 -0.130085 0.105680 1Rh 3dx2y2 -0.011294 0.067447 0.026956 0.089414 -0.129201 -0.274293 1Rh 3dxy -0.105123 -0.012497 -0.008018 0.062399 0.315097 -0.028257 1Rh 4dz2 0.012538 -0.042423 0.040067 -0.164835 -0.021009 0.480786 1Rh 4dxz 0.103284 -0.052387 -0.033099 -0.114885 -0.034342 0.244794 1Rh 4dyz 0.084346 0.019499 0.011536 0.019342 0.164768 -0.117267 1Rh 4dx2y2 0.025803 -0.082321 -0.022751 -0.127507 0.147764 0.348011 1Rh 4dxy 0.150873 0.015277 0.031317 -0.072972 -0.382856 0.052783 1Rh 5dz2 0.056892 0.013833 0.028511 0.094385 0.005501 -0.357114 1Rh 5dxz -0.052105 0.048663 -0.074676 0.079827 0.032263 -0.105541 1Rh 5dyz 0.085378 0.000956 -0.080351 0.158059 -0.078423 -0.125637 1Rh 5dx2y2 0.001193 0.040706 -0.035343 0.178886 -0.057221 -0.242418 1Rh 5dxy -0.026529 -0.016052 -0.127509 0.011329 0.240903 -0.184833 1Rh 1f0 0.001803 -0.004452 0.005014 -0.013943 0.005427 -0.006236 1Rh 1f+1 -0.004245 0.003093 0.028823 -0.011644 -0.003622 -0.000480 1Rh 1f-1 -0.009766 0.005954 0.010012 -0.000868 0.005789 0.000364 1Rh 1f+2 0.001080 -0.014975 -0.005141 0.008119 0.016228 -0.000562 1Rh 1f-2 -0.025294 -0.002939 0.001686 0.019564 0.020777 0.015731 1Rh 1f+3 0.006763 0.005141 0.009556 -0.013641 -0.001976 0.001319 1Rh 1f-3 0.002342 -0.002687 0.030366 0.021830 -0.008949 0.008927 2C 1s 0.003746 0.001564 0.001505 -0.003439 -0.001051 -0.001049 2C 2s 0.009499 0.003049 0.005895 -0.008234 -0.002826 -0.001765 2C 3s 0.090475 0.076674 -0.104906 -0.044312 0.063250 -0.058761 2C 4s -0.454177 -0.523166 0.163954 0.428094 -0.277549 0.367210 2C 5s 2.386916 0.290144 -2.521298 -0.148903 0.335226 -0.214435 2C 1pz 0.047188 -0.009000 -0.009604 0.014334 0.019471 -0.028361 2C 1px -0.051765 -0.002854 -0.041541 0.010266 0.011943 0.016819 2C 1py 0.025600 0.018613 0.002557 0.014794 0.035449 0.044866 2C 2pz -0.179979 -0.237449 0.131837 0.180869 -0.271133 -0.049225 2C 2px -0.317405 0.069901 0.108354 -0.045817 -0.045509 0.067672 2C 2py -0.122515 -0.062010 0.016379 -0.357398 -0.070445 0.295680 2C 3pz 0.402807 0.030432 -0.573863 -0.007600 0.046870 -0.028893 2C 3px 0.113228 0.012009 -0.148119 -0.029791 0.025269 -0.073058 2C 3py 0.205634 0.031281 -0.365653 0.062164 -0.005829 -0.043452 2C 1dz2 0.053614 0.005644 0.027308 0.018256 0.037520 0.080459 2C 1dxz 0.175640 -0.020543 0.085748 0.031503 0.056297 0.134758 2C 1dyz -0.009037 0.014459 -0.021620 -0.035519 0.025447 -0.001122 2C 1dx2y2 -0.120813 0.028773 -0.051498 0.006008 0.034633 0.142844 2C 1dxy 0.024406 -0.064469 0.003648 0.079856 -0.040151 -0.113518 2C 2dz2 -0.139184 -0.040941 -0.000990 0.070936 -0.104518 -0.059427 2C 2dxz -0.123719 0.081692 -0.148883 -0.165921 -0.113983 -0.176398 2C 2dyz -0.219508 -0.061071 0.112928 -0.098347 -0.112457 0.077691 2C 2dx2y2 0.037452 0.010746 0.135391 0.062379 0.050240 0.003714 2C 2dxy -0.061892 0.054864 0.073495 -0.024054 -0.033349 -0.045418 2C 1f0 -0.004747 -0.026826 0.000962 0.058071 0.002122 0.005820 2C 1f+1 0.145324 -0.085037 0.023554 0.021818 -0.000516 0.078006 2C 1f-1 -0.226555 0.081622 -0.047184 -0.103184 -0.037223 0.014908 2C 1f+2 -0.025228 0.229222 -0.006558 -0.226125 0.000375 -0.026055 2C 1f-2 0.009658 0.110256 0.002239 -0.100560 -0.059940 -0.143092 2C 1f+3 0.008621 -0.061678 -0.002050 0.037016 -0.078892 -0.143635 2C 1f-3 0.047897 0.233567 -0.001742 -0.237619 -0.029646 -0.073045 3C 1s -0.004924 0.002703 -0.005351 -0.000982 -0.000752 0.000284 3C 2s -0.013298 0.005749 -0.012405 -0.003879 -0.003741 -0.000189 3C 3s -0.057475 0.099382 -0.104242 0.068854 0.098360 0.035795 3C 4s 0.444377 -0.673569 0.819707 -0.052614 -0.442796 -0.085710 3C 5s -2.249837 0.390233 -0.458927 2.320147 0.559837 0.664774 3C 1pz -0.082307 -0.000802 0.029700 -0.022011 -0.021153 -0.025816 3C 1px 0.037307 -0.000303 0.021325 0.045113 -0.101211 -0.057867 3C 1py 0.011564 -0.002371 0.000521 -0.006408 -0.044092 -0.024529 3C 2pz -0.084789 -0.115210 -0.180353 0.139580 -0.337154 -0.087593 3C 2px 0.271021 0.063126 -0.215622 0.048505 -0.202024 -0.448286 3C 2py -0.199313 0.209368 -0.225496 0.158964 0.010689 -0.232123 3C 3pz -0.103501 0.052230 0.039342 0.284793 0.123063 0.065958 3C 3px -0.159014 0.020445 -0.026204 0.172235 0.116276 0.148418 3C 3py 0.354606 -0.026890 0.060206 -0.546786 -0.099742 -0.135973 3C 1dz2 0.035003 0.027982 -0.085501 0.001142 0.017810 -0.006268 3C 1dxz -0.124002 -0.036453 -0.003249 -0.089454 0.154343 0.213192 3C 1dyz -0.137146 -0.038276 0.074743 -0.019162 -0.113626 -0.037339 3C 1dx2y2 0.209613 0.003241 -0.041297 0.036610 0.131393 0.132619 3C 1dxy 0.144716 0.032831 -0.047731 -0.020796 0.203058 0.092507 3C 2dz2 -0.051294 -0.014028 -0.043393 0.134014 -0.156297 -0.083928 3C 2dxz 0.076073 0.061903 -0.116268 0.017216 0.285545 0.091219 3C 2dyz -0.068444 0.095753 -0.057347 0.069633 0.322702 0.110860 3C 2dx2y2 -0.249733 0.027408 0.035545 -0.096835 -0.026489 -0.178115 3C 2dxy -0.222056 -0.085385 0.231997 0.018849 -0.306531 -0.044693 3C 1f0 -0.217784 -0.082602 0.136391 0.021266 -0.210389 -0.165621 3C 1f+1 -0.060624 0.147900 -0.181852 0.004661 0.009805 0.069401 3C 1f-1 -0.054041 0.049180 -0.026582 -0.045924 0.122036 0.052596 3C 1f+2 -0.196515 -0.010306 -0.008503 -0.078459 0.213536 0.109559 3C 1f-2 0.072775 0.174538 -0.191505 0.073020 -0.234296 -0.155527 3C 1f+3 -0.022047 0.107767 -0.156324 0.000458 0.070456 -0.048440 3C 1f-3 0.063399 0.096531 -0.108196 -0.048237 0.260109 0.061738 4C 1s -0.000661 0.000662 0.002346 -0.003197 -0.001583 -0.002972 4C 2s -0.000642 0.002432 0.002993 -0.008996 -0.004874 -0.008541 4C 3s -0.531253 -0.034276 0.258062 0.082309 -0.009419 0.056833 4C 4s 2.958959 0.043201 -1.442759 -0.007994 0.346052 0.090164 4C 5s 2.668006 -0.175379 1.078991 -0.003491 0.245909 0.301182 4C 1pz -0.068535 0.085728 -0.062926 -0.080623 -0.022923 -0.058058 4C 1px 0.001521 -0.010235 -0.006087 -0.010021 -0.027411 -0.031281 4C 1py -0.024637 -0.043237 -0.047354 0.035272 -0.009882 -0.001307 4C 2pz 0.410552 -0.623368 -0.003328 0.344829 -0.132386 0.311770 4C 2px -0.263915 0.098724 0.002135 0.078536 0.034492 0.321930 4C 2py 0.060090 0.253488 -0.006900 -0.326818 -0.154740 0.018907 4C 3pz 3.358703 0.168566 -1.987978 0.088897 0.396968 -0.029760 4C 3px 0.766856 0.059255 -0.333228 0.060948 0.047012 -0.032563 4C 3py 2.382902 -0.046071 -1.324216 0.015086 0.291569 -0.062196 4C 1dz2 -0.014290 -0.029515 -0.006320 -0.085752 0.002184 -0.015951 4C 1dxz 0.042470 -0.022580 0.001814 -0.034600 -0.021388 -0.030487 4C 1dyz -0.039154 -0.012250 0.016831 0.080607 -0.001542 0.056184 4C 1dx2y2 -0.016804 -0.017834 0.007922 -0.068388 -0.008727 0.012075 4C 1dxy 0.006900 -0.015288 0.018240 0.028615 -0.008381 -0.003921 4C 2dz2 -0.066024 -0.197998 0.173459 0.556033 0.114213 0.069653 4C 2dxz -0.452666 0.262887 0.242011 -0.048557 -0.001253 -0.083632 4C 2dyz 0.282706 0.214392 -0.056696 -0.280973 0.126156 -0.085179 4C 2dx2y2 0.588683 -0.148145 -0.364562 0.275080 -0.012578 0.108444 4C 2dxy 0.263321 0.121026 -0.170097 -0.140016 -0.068319 -0.127965 4C 1f0 -0.091674 -0.042692 0.020248 0.027033 -0.012205 -0.043905 4C 1f+1 -0.104911 0.227737 0.005994 -0.309546 -0.013753 -0.080203 4C 1f-1 -0.024980 -0.079886 0.007672 0.078554 0.050665 0.106473 4C 1f+2 0.182134 -0.212945 -0.046397 0.146631 0.014518 0.063985 4C 1f-2 0.026849 -0.258756 0.000077 0.334508 -0.017630 -0.014332 4C 1f+3 0.084443 0.210833 -0.015792 -0.282595 -0.080786 -0.250414 4C 1f-3 0.005531 -0.346527 0.074245 0.392320 0.015925 0.034333 5C 1s 0.000823 0.001527 -0.004282 -0.003379 0.004448 0.002036 5C 2s 0.002017 0.004960 -0.012685 -0.006356 0.012636 0.007156 5C 3s 0.490256 -0.083491 0.161392 -0.213099 -0.027122 -0.127848 5C 4s -2.890317 0.139599 -0.191544 1.337731 -0.516334 0.338801 5C 5s -2.754757 -0.148415 0.127544 -0.910240 -0.825505 -0.310588 5C 1pz 0.047346 -0.000458 0.007961 0.040174 0.016023 0.016794 5C 1px 0.001399 -0.045230 0.017441 -0.000031 0.074920 0.027994 5C 1py -0.078048 -0.082391 0.112850 -0.042819 -0.076074 -0.051238 5C 2pz -0.256961 0.017152 -0.167524 -0.036733 0.114466 0.197614 5C 2px 0.275565 0.273313 -0.234293 0.298890 -1.097045 -0.479519 5C 2py 0.427838 0.575377 -0.550642 -0.070146 0.396030 0.004805 5C 3pz -1.965026 -0.024574 -0.131243 1.118677 -0.011893 0.336586 5C 3px -1.276214 0.082013 0.004588 0.649069 0.195431 0.222547 5C 3py 3.219823 -0.234074 0.077223 -1.833484 -0.064657 -0.489711 5C 1dz2 0.010051 0.011336 0.072554 -0.002781 0.048691 0.016453 5C 1dxz -0.017477 -0.008977 0.068204 -0.032544 0.058910 0.055209 5C 1dyz -0.020069 0.033274 -0.103124 -0.002263 0.104060 0.045180 5C 1dx2y2 -0.029496 -0.009007 0.094931 -0.021284 -0.012889 0.021985 5C 1dxy 0.004578 0.024416 -0.042726 0.016011 -0.033940 -0.025889 5C 2dz2 0.318601 0.045477 -0.268268 -0.107977 -0.217654 -0.148988 5C 2dxz 0.357850 0.236878 -0.395243 -0.229708 0.308699 -0.110296 5C 2dyz 0.432218 -0.070569 0.170675 -0.148519 0.066613 -0.056602 5C 2dx2y2 -0.332216 0.171484 -0.536623 0.364634 0.086822 0.049351 5C 2dxy -0.166720 -0.357171 0.424060 0.111582 -0.223894 0.231603 5C 1f0 0.115694 -0.010157 0.042976 0.046066 -0.263468 -0.177980 5C 1f+1 -0.046858 -0.302395 0.447368 -0.162109 0.290394 0.178995 5C 1f-1 0.005585 -0.149121 0.167431 -0.016883 0.134875 0.113674 5C 1f+2 -0.076637 0.249381 -0.398648 -0.056899 0.337534 0.186923 5C 1f-2 -0.136158 -0.141807 0.145666 0.047685 -0.084028 -0.053767 5C 1f+3 0.052576 -0.008242 -0.021850 -0.046607 0.098243 -0.031227 5C 1f-3 -0.171147 -0.170455 0.273063 0.002155 0.001484 0.028514 6C 1s 0.000754 0.001295 0.004247 0.003488 0.004063 -0.002827 6C 2s 0.001769 0.004367 0.012559 0.006695 0.011282 -0.009457 6C 3s 0.495000 -0.084433 -0.158869 0.207504 -0.003509 0.136901 6C 4s -2.901385 0.173934 0.189259 -1.327266 -0.575156 -0.268834 6C 5s -2.743857 -0.162814 -0.119918 0.916603 -0.756225 0.434406 6C 1pz -0.045854 0.000958 0.009823 0.039331 -0.012910 0.019051 6C 1px -0.001152 0.043812 0.018208 0.000428 -0.067827 0.042532 6C 1py 0.077119 0.080317 0.113046 -0.040611 0.066537 -0.065715 6C 2pz 0.251216 -0.021797 -0.175445 -0.040784 -0.075436 0.212020 6C 2px -0.277092 -0.266636 -0.239892 0.294106 0.974597 -0.679412 6C 2py -0.420589 -0.557492 -0.555933 -0.073791 -0.390335 0.094723 6C 3pz 1.975031 -0.002926 -0.128725 1.107135 0.074038 0.353344 6C 3px 1.283737 -0.095457 0.006598 0.639429 -0.148710 0.271873 6C 3py -3.233145 0.283946 0.076290 -1.806949 -0.027733 -0.529335 6C 1dz2 0.009059 0.013394 -0.071674 0.002325 0.045639 -0.027364 6C 1dxz -0.018246 -0.007867 -0.067561 0.032047 0.047399 -0.065815 6C 1dyz -0.022795 0.029517 0.101769 0.004580 0.093864 -0.064652 6C 1dx2y2 -0.027044 -0.006088 -0.093996 0.018814 -0.017698 -0.020753 6C 1dxy 0.004859 0.023923 0.042851 -0.015589 -0.027078 0.032041 6C 2dz2 0.321899 0.039358 0.272533 0.106623 -0.187049 0.196155 6C 2dxz 0.360759 0.217955 0.396880 0.231889 0.323015 0.048657 6C 2dyz 0.435527 -0.072646 -0.169412 0.146816 0.080004 0.049162 6C 2dx2y2 -0.337644 0.165304 0.538247 -0.350229 0.082022 -0.059492 6C 2dxy -0.166389 -0.338580 -0.429541 -0.116814 -0.269075 -0.179342 6C 1f0 -0.114105 0.010748 0.043625 0.046299 0.221592 -0.224357 6C 1f+1 0.046651 0.298018 0.456791 -0.156234 -0.247330 0.231282 6C 1f-1 -0.002827 0.149611 0.174712 -0.014729 -0.109283 0.137504 6C 1f+2 0.076424 -0.241152 -0.403643 -0.062891 -0.295775 0.247711 6C 1f-2 0.136831 0.136564 0.148337 0.048781 0.074032 -0.070372 6C 1f+3 -0.050751 0.009768 -0.023641 -0.046897 -0.102109 -0.014628 6C 1f-3 0.170388 0.165656 0.277720 0.005274 0.005551 0.027776 7C 1s -0.000579 0.000505 -0.002343 0.003027 -0.001086 0.002835 7C 2s -0.000405 0.001887 -0.003006 0.008525 -0.003429 0.008148 7C 3s -0.532915 -0.021216 -0.258054 -0.074800 -0.019704 -0.050808 7C 4s 2.954393 0.001390 1.442874 -0.004894 0.333407 -0.106546 7C 5s 2.658268 -0.148037 -1.077713 -0.005383 0.193204 -0.277714 7C 1pz 0.067870 -0.079235 -0.063377 -0.079619 0.013084 -0.054613 7C 1px -0.001749 0.006945 -0.006389 -0.011715 0.021980 -0.032128 7C 1py 0.024471 0.044197 -0.045808 0.037675 0.009609 0.001732 7C 2pz -0.407049 0.595653 0.000306 0.346311 0.183463 0.267548 7C 2px 0.267413 -0.075895 0.002925 0.086579 0.011932 0.252685 7C 2py -0.059321 -0.246613 -0.015315 -0.338102 0.154936 -0.039431 7C 3pz -3.357508 -0.120568 -1.984513 0.111131 -0.401644 0.032147 7C 3px -0.760453 -0.050936 -0.328740 0.065879 -0.051832 -0.014367 7C 3py -2.387140 0.082409 -1.321536 0.034641 -0.302233 -0.010950 7C 1dz2 -0.013077 -0.033008 0.006182 0.084912 0.005635 0.018001 7C 1dxz 0.044011 -0.023059 -0.002054 0.033863 -0.015905 0.029249 7C 1dyz -0.040446 -0.007901 -0.016640 -0.077193 -0.010984 -0.049220 7C 1dx2y2 -0.017179 -0.018402 -0.007699 0.068372 -0.010134 -0.006230 7C 1dxy 0.005726 -0.012054 -0.018027 -0.027194 -0.007480 0.007318 7C 2dz2 -0.068521 -0.167386 -0.175417 -0.557330 0.096396 -0.083716 7C 2dxz -0.454809 0.243199 -0.243185 0.043862 0.012241 0.055047 7C 2dyz 0.283164 0.202963 0.057541 0.279135 0.141357 0.060943 7C 2dx2y2 0.589903 -0.152741 0.363162 -0.282663 -0.030552 -0.099371 7C 2dxy 0.264284 0.092686 0.168687 0.127345 -0.047076 0.108332 7C 1f0 0.091299 0.041962 0.022496 0.029072 0.005700 -0.044498 7C 1f+1 0.102890 -0.218627 0.004347 -0.317734 -0.001352 -0.073773 7C 1f-1 0.025023 0.073459 0.008730 0.075340 -0.032504 0.104249 7C 1f+2 -0.183506 0.207231 -0.041933 0.151480 -0.002964 0.072573 7C 1f-2 -0.026830 0.257027 0.004352 0.345897 0.016138 -0.002362 7C 1f+3 -0.083115 -0.207144 -0.020519 -0.288846 0.040326 -0.234777 7C 1f-3 -0.005423 0.330182 0.079301 0.400104 -0.006465 0.053369 8C 1s -0.004866 0.002508 0.005263 0.001102 -0.000793 -0.000151 8C 2s -0.013092 0.005253 0.012189 0.004156 -0.003646 0.000905 8C 3s -0.060774 0.097777 0.103105 -0.068250 0.088851 -0.057789 8C 4s 0.452414 -0.648413 -0.810590 0.045616 -0.413277 0.189721 8C 5s -2.267905 0.437402 0.452314 -2.293535 0.429997 -0.781773 8C 1pz 0.080351 -0.000423 0.028024 -0.020566 0.016763 -0.029777 8C 1px -0.037595 -0.001642 0.020666 0.046129 0.087492 -0.075197 8C 1py -0.013569 0.002056 -0.000241 -0.006516 0.037671 -0.033653 8C 2pz 0.081587 0.114921 -0.181542 0.136564 0.318059 -0.172606 8C 2px -0.275983 -0.056735 -0.219152 0.040937 0.106645 -0.483918 8C 2py 0.203834 -0.207415 -0.229969 0.159857 -0.049402 -0.218450 8C 3pz 0.106984 -0.059653 0.041002 0.280259 -0.110494 0.088752 8C 3px 0.161048 -0.025087 -0.025173 0.170279 -0.084286 0.169443 8C 3py -0.358476 0.039490 0.060121 -0.542424 0.074295 -0.157055 8C 1dz2 0.032186 0.025157 0.086531 0.000340 0.020738 -0.000755 8C 1dxz -0.124299 -0.038794 0.000344 0.089037 0.110245 -0.241911 8C 1dyz -0.132989 -0.034995 -0.072594 0.018056 -0.105046 0.060683 8C 1dx2y2 0.203205 0.001360 0.037425 -0.035849 0.103719 -0.156999 8C 1dxy 0.144261 0.029691 0.046225 0.022811 0.183401 -0.131961 8C 2dz2 -0.053421 -0.011865 0.042080 -0.133039 -0.137732 0.115117 8C 2dxz 0.074808 0.058002 0.114172 -0.012720 0.263875 -0.139583 8C 2dyz -0.075830 0.094781 0.057064 -0.068806 0.296055 -0.179743 8C 2dx2y2 -0.242536 0.027335 -0.030740 0.093944 0.004575 0.179337 8C 2dxy -0.220646 -0.076744 -0.232060 -0.025537 -0.297144 0.101282 8C 1f0 0.214507 0.075529 0.132726 0.023927 0.177733 -0.204769 8C 1f+1 0.058543 -0.148713 -0.191414 0.002785 0.000434 0.073766 8C 1f-1 0.052537 -0.050976 -0.032791 -0.046202 -0.109274 0.074812 8C 1f+2 0.196675 0.017133 -0.000977 -0.079579 -0.186853 0.149338 8C 1f-2 -0.072389 -0.172456 -0.196468 0.070476 0.198516 -0.196957 8C 1f+3 0.022173 -0.103235 -0.159124 -0.003866 -0.078740 -0.037936 8C 1f-3 -0.061969 -0.095101 -0.114164 -0.048946 -0.243054 0.110853 9C 1s 0.003743 0.001420 -0.001476 0.003194 -0.000838 0.001236 9C 2s 0.009474 0.002798 -0.005816 0.007634 -0.002436 0.002440 9C 3s 0.091604 0.068781 0.105048 0.040808 0.072449 0.040043 9C 4s -0.457679 -0.483040 -0.166286 -0.399066 -0.336791 -0.280713 9C 5s 2.393433 0.210936 2.518629 0.115674 0.370105 0.122026 9C 1pz -0.048306 0.009820 -0.008615 0.014842 -0.023878 -0.022235 9C 1px 0.051005 0.003276 -0.041660 0.010510 -0.009076 0.012758 9C 1py -0.023466 -0.020168 0.000880 0.012662 -0.027995 0.044821 9C 2pz 0.174729 0.223617 0.126966 0.188236 0.262203 -0.098680 9C 2px 0.317129 -0.064071 0.109195 -0.039710 0.059029 0.059091 9C 2py 0.130798 0.067619 0.021136 -0.361409 0.113969 0.255063 9C 3pz -0.400617 -0.015134 -0.569942 -0.004609 -0.052030 -0.014224 9C 3px -0.112619 -0.008255 -0.146845 -0.028627 -0.038057 -0.063399 9C 3py -0.212770 -0.023668 -0.369590 0.066258 -0.002016 -0.034289 9C 1dz2 0.049536 0.007604 -0.025084 -0.018149 0.023921 -0.081196 9C 1dxz 0.172054 -0.013678 -0.084655 -0.026842 0.034995 -0.124969 9C 1dyz -0.006250 0.012266 0.020681 0.034621 0.025655 -0.002332 9C 1dx2y2 -0.122456 0.030998 0.052561 -0.001532 0.011970 -0.140300 9C 1dxy 0.025934 -0.062201 -0.003455 -0.083222 -0.021577 0.110177 9C 2dz2 -0.135765 -0.036970 0.000293 -0.073709 -0.093692 0.078837 9C 2dxz -0.118396 0.063935 0.147118 0.159110 -0.084965 0.154845 9C 2dyz -0.221121 -0.058968 -0.111679 0.097692 -0.123566 -0.048042 9C 2dx2y2 0.037111 0.016130 -0.135495 -0.058357 0.048548 -0.001331 9C 2dxy -0.064965 0.052268 -0.072714 0.022070 -0.026958 0.033310 9C 1f0 0.004301 0.021559 -0.000212 0.056391 -0.001561 -0.007499 9C 1f+1 -0.145749 0.087616 0.024580 0.028935 0.012900 0.082985 9C 1f-1 0.224735 -0.075606 -0.047643 -0.104554 0.038378 0.006842 9C 1f+2 0.023110 -0.217750 -0.009592 -0.228689 -0.005651 -0.023125 9C 1f-2 -0.009489 -0.113266 0.000765 -0.113059 0.037474 -0.130004 9C 1f+3 -0.010691 0.074938 0.000236 0.055758 0.055606 -0.129816 9C 1f-3 -0.048045 -0.224581 -0.005702 -0.242844 0.017593 -0.084207 10H 1s -0.095740 0.051738 -0.075547 -0.072944 -0.039711 -0.059234 10H 2s 0.422812 -0.001654 -0.021756 -0.094303 -0.049543 -0.183530 10H 3s -0.255108 -0.024754 0.144552 0.056221 -0.043353 0.067177 10H 1pz 0.207075 -0.076417 0.028082 0.035237 -0.012220 -0.027244 10H 1px -0.146822 -0.018518 -0.036458 0.041955 0.005680 0.058088 10H 1py 0.059969 0.102200 -0.017736 -0.111939 -0.048425 -0.123500 11H 1s 0.038186 0.003738 0.060793 -0.016102 0.014244 0.069467 11H 2s -0.068047 0.024594 0.072100 0.069163 -0.067471 -0.223928 11H 3s -0.074089 -0.019998 0.090718 -0.006981 0.009188 0.051510 11H 1pz -0.118622 0.094481 -0.050561 -0.045264 -0.053448 -0.163579 11H 1px 0.021618 -0.117257 0.039493 0.117003 -0.026668 -0.083742 11H 1py 0.003072 -0.055016 -0.008881 0.084124 -0.000883 0.007700 12H 1s -0.005909 -0.003155 0.011237 -0.016639 -0.030625 -0.061978 12H 2s -0.003451 0.120271 0.000250 -0.297044 0.089514 0.278486 12H 3s -0.143357 -0.061888 0.127349 0.117304 -0.053652 -0.071462 12H 1pz -0.051690 0.018008 -0.036631 -0.054833 0.004512 0.029293 12H 1px 0.036398 0.144118 0.046735 -0.167892 0.033644 0.082625 12H 1py -0.049822 0.026042 -0.036465 -0.095702 0.062817 0.180654 13H 1s 0.140261 0.068379 -0.109319 0.024115 0.162704 0.047330 13H 2s -0.441618 0.054076 -0.177610 -0.061828 0.266563 0.360885 13H 3s 0.300192 -0.038965 0.087808 -0.109690 -0.072979 -0.143864 13H 1pz -0.137580 0.086766 -0.150846 -0.039463 0.162197 0.191792 13H 1px 0.173391 0.036304 -0.023402 0.040529 0.040100 -0.015696 13H 1py 0.204687 0.054124 -0.037397 0.047694 -0.079551 -0.099611 14H 1s 0.051389 0.016191 -0.051089 -0.001916 0.050097 0.081014 14H 2s -0.064675 0.118769 -0.292354 0.155212 -0.494729 -0.464775 14H 3s 0.169604 -0.053829 0.130535 -0.161511 0.120122 0.114415 14H 1pz 0.069750 -0.017664 -0.013947 0.086287 -0.114851 -0.148093 14H 1px -0.081940 0.097755 -0.146029 0.057722 -0.280415 -0.257167 14H 1py -0.036015 -0.043525 0.078148 -0.049854 0.093951 0.089417 15H 1s -0.111992 -0.010644 0.014221 -0.035271 -0.112159 -0.077609 15H 2s 0.098667 0.105693 -0.070073 -0.129313 0.191138 0.158891 15H 3s 0.047995 -0.065848 0.045742 -0.066960 -0.126169 -0.066325 15H 1pz 0.011841 -0.010978 0.036497 0.031508 -0.012312 -0.005653 15H 1px -0.025281 -0.098983 0.115160 -0.045958 0.067696 0.089457 15H 1py -0.174815 -0.100482 0.112959 0.011588 -0.193630 -0.136470 16H 1s 0.002764 0.017868 0.072625 0.035352 -0.123460 0.021393 16H 2s -0.110469 0.081984 -0.151478 0.028753 -0.318211 -0.035004 16H 3s -0.043629 -0.027478 0.059570 -0.021345 0.050504 -0.014510 16H 1pz -0.027233 0.043448 0.019880 0.042479 -0.244020 0.011850 16H 1px 0.014085 0.002133 0.001564 -0.001052 -0.001108 0.000242 16H 1py -0.012251 0.013618 0.022215 0.023307 -0.074599 0.018452 17H 1s 0.009446 0.006839 0.042005 0.048749 -0.133431 0.058695 17H 2s 0.043216 0.054178 -0.019210 -0.050843 -0.219426 -0.093959 17H 3s 0.067493 -0.004935 -0.023264 0.028265 0.034504 0.031247 17H 1pz -0.004087 -0.019208 -0.019825 -0.026956 0.155708 -0.005653 17H 1px -0.019792 -0.019214 -0.024992 -0.024157 0.126800 -0.007393 17H 1py 0.003560 0.007450 0.038525 0.026191 -0.096890 0.023026 18H 1s 0.007136 0.007866 -0.042971 -0.046194 -0.142367 -0.039178 18H 2s 0.034043 0.049468 0.020421 0.048109 -0.203330 0.119954 18H 3s 0.065999 -0.003901 0.024354 -0.028213 0.029852 -0.029185 18H 1pz 0.000924 0.019272 -0.020896 -0.026173 -0.158207 0.014066 18H 1px 0.016034 0.019238 -0.024535 -0.023989 -0.127539 0.010767 18H 1py -0.000224 -0.006973 0.038255 0.024917 0.096530 0.010598 19H 1s 0.000768 0.019641 -0.074250 -0.032897 -0.123889 -0.005249 19H 2s -0.119436 0.081254 0.152970 -0.025581 -0.305572 0.075895 19H 3s -0.041786 -0.026654 -0.058516 0.019588 0.049234 0.004738 19H 1pz 0.032054 -0.044712 0.020513 0.038910 0.239172 -0.020316 19H 1px -0.014333 -0.001120 0.001831 -0.001838 -0.001107 -0.000716 19H 1py 0.015529 -0.015900 0.022920 0.022646 0.080961 0.008365 20H 1s -0.107120 -0.009790 -0.012678 0.034360 -0.095933 0.099809 20H 2s 0.097402 0.097467 0.062667 0.131735 0.159173 -0.201447 20H 3s 0.050484 -0.064673 -0.042690 0.064355 -0.113011 0.090648 20H 1pz -0.012024 0.008665 0.034604 0.032401 0.010556 -0.007906 20H 1px 0.025910 0.098693 0.120182 -0.045093 -0.048952 0.103227 20H 1py 0.171403 0.096027 0.110290 0.013947 0.166558 -0.176838 21H 1s 0.048317 0.013864 0.048854 0.003587 0.034477 -0.090275 21H 2s -0.061697 0.114542 0.295307 -0.150320 -0.396969 0.555483 21H 3s 0.168666 -0.054814 -0.132415 0.159377 0.094654 -0.135094 21H 1pz -0.068385 0.017666 -0.011996 0.085509 0.084983 -0.170254 21H 1px 0.077990 -0.097219 -0.151185 0.055915 0.225699 -0.308484 21H 1py 0.036617 0.042634 0.079279 -0.047938 -0.073444 0.106330 22H 1s 0.137659 0.064958 0.108374 -0.021547 0.152699 -0.078336 22H 2s -0.442457 0.047925 0.172167 0.064637 0.188697 -0.402371 22H 3s 0.300151 -0.040041 -0.086048 0.108143 -0.042205 0.155817 22H 1pz 0.137662 -0.083207 -0.151191 -0.041420 -0.121433 0.218629 22H 1px -0.170816 -0.035892 -0.023946 0.039401 -0.043672 -0.007284 22H 1py -0.204098 -0.054666 -0.040052 0.047310 0.056677 -0.110853 23H 1s -0.002696 -0.004906 -0.013261 0.014090 -0.020532 0.062426 23H 2s -0.009807 0.112103 -0.001648 0.297278 0.047688 -0.257012 23H 3s -0.139621 -0.053742 -0.126166 -0.116648 -0.042557 0.071446 23H 1pz 0.051396 -0.014186 -0.037013 -0.054239 -0.000237 0.026548 23H 1px -0.033409 -0.142285 0.044178 -0.172972 -0.020979 0.071632 23H 1py 0.052374 -0.023809 -0.035636 -0.096235 -0.034571 0.174979 24H 1s 0.034637 0.006402 -0.058474 0.016803 0.002973 -0.064013 24H 2s -0.061447 0.021678 -0.069296 -0.084786 -0.032544 0.221249 24H 3s -0.079211 -0.013725 -0.092315 0.013986 0.001999 -0.044356 24H 1pz 0.115029 -0.088479 -0.051863 -0.041141 0.027240 -0.158104 24H 1px -0.024222 0.114183 0.041167 0.125377 0.014240 -0.082323 24H 1py -0.002133 0.053562 -0.006434 0.085108 0.002679 0.008558 25H 1s -0.093999 0.044139 0.075469 0.069825 -0.029955 0.050792 25H 2s 0.424100 -0.008760 0.023427 0.083725 -0.017412 0.170829 25H 3s -0.255437 -0.018293 -0.144988 -0.050773 -0.054170 -0.054434 25H 1pz -0.206827 0.075462 0.028065 0.040227 0.007155 -0.022231 25H 1px 0.146051 0.018662 -0.035320 0.041237 0.004494 0.057964 25H 1py -0.060964 -0.097088 -0.018595 -0.112586 0.027410 -0.119648 26O 1s 0.027755 0.001980 -0.015672 -0.001559 0.006816 0.004118 26O 2s 0.096436 0.006414 -0.055327 -0.004866 0.024488 0.013536 26O 3s -0.733979 -0.028422 0.429335 0.021537 -0.209299 -0.088078 26O 4s 1.391609 -0.065896 -0.817947 0.088505 0.499185 0.170178 26O 5s -4.107733 -0.167670 2.278702 0.054439 -0.699283 -0.426815 26O 1pz -0.041209 -0.046233 0.131442 0.060481 -0.010329 -0.000687 26O 1px -0.080395 -0.037418 0.089078 0.037210 -0.009510 0.024815 26O 1py -0.066855 0.127850 0.106218 -0.157535 -0.036406 -0.063231 26O 2pz 0.155191 0.158227 -0.374952 -0.190355 0.021464 -0.000392 26O 2px 0.395744 0.222912 -0.360692 -0.203849 -0.014988 -0.041392 26O 2py 0.274167 -0.332532 -0.340584 0.464037 0.112911 0.268377 26O 3pz -0.476874 -0.144608 0.728954 0.115388 -0.170443 -0.029359 26O 3px 0.888437 -0.080081 -0.062092 0.046681 0.062228 0.247332 26O 3py 0.049972 0.023054 0.404494 -0.142232 -0.081508 -0.086532 26O 1dz2 -0.005197 0.001569 0.005092 -0.005432 0.003255 0.001291 26O 1dxz -0.002547 0.010162 0.005952 -0.007179 0.001182 0.004761 26O 1dyz -0.004490 -0.001876 0.009635 0.000774 -0.002366 -0.002099 26O 1dx2y2 0.002345 0.013105 -0.003989 -0.009878 -0.003924 -0.009163 26O 1dxy -0.000810 -0.007573 0.003395 0.006837 0.002428 0.011967 26O 2dz2 0.065704 -0.055294 -0.003855 0.064483 -0.004502 0.043907 26O 2dxz 0.033772 -0.112018 0.058058 0.145620 0.028015 0.048660 26O 2dyz 0.007011 -0.024761 0.048390 0.009793 -0.021369 -0.052374 26O 2dx2y2 -0.071733 -0.189107 0.022410 0.232129 0.048686 0.138229 26O 2dxy -0.069475 0.155328 0.058367 -0.210881 -0.042919 -0.164463 26O 1f0 0.000820 -0.013378 -0.000573 0.015636 -0.000949 -0.009776 26O 1f+1 0.006554 -0.029693 0.005669 0.036645 -0.008103 -0.012905 26O 1f-1 0.010482 -0.022301 0.004916 0.025549 0.000383 0.002783 26O 1f+2 -0.010256 -0.027948 0.005899 0.034967 0.000558 0.003410 26O 1f-2 0.015320 -0.005862 -0.002593 -0.008822 -0.003782 -0.005948 26O 1f+3 -0.008719 0.029765 0.004712 -0.024197 -0.007128 -0.022047 26O 1f-3 -0.019676 0.004423 0.001284 -0.014335 0.003934 0.007666 27O 1s -0.028649 0.003368 0.001145 0.012790 -0.007464 0.000468 27O 2s -0.099393 0.011051 0.005076 0.044185 -0.023484 0.002558 27O 3s 0.759355 -0.056706 -0.082572 -0.313695 0.103265 -0.052163 27O 4s -1.484770 -0.073163 0.441114 0.546585 -0.064208 0.192323 27O 5s 4.077181 -0.245566 -0.038729 -2.227939 1.075536 -0.130782 27O 1pz 0.011111 0.112027 -0.160780 -0.055936 0.098239 0.008070 27O 1px 0.096013 0.036147 -0.055250 -0.087320 0.008606 -0.016509 27O 1py -0.031011 0.047374 -0.064021 0.112371 -0.057260 0.012774 27O 2pz -0.037802 -0.338495 0.528932 0.177331 -0.373527 -0.080920 27O 2px -0.428098 0.052500 -0.044293 0.452866 -0.353127 -0.076777 27O 2py 0.144399 -0.176451 0.246221 -0.382565 0.275098 -0.023050 27O 3pz 0.374122 0.050647 -0.169534 -0.465812 0.173195 0.012886 27O 3px -0.840106 -0.004547 0.061649 0.047291 -0.253749 -0.028976 27O 3py -0.314305 0.143503 -0.188542 0.645273 -0.168650 -0.011255 27O 1dz2 0.001227 -0.003473 0.002238 -0.002592 0.008752 0.002985 27O 1dxz 0.003036 -0.010967 0.013360 0.002035 -0.020602 -0.015985 27O 1dyz -0.002970 0.006505 -0.004155 0.007658 -0.003508 -0.002906 27O 1dx2y2 -0.004325 -0.001811 0.004134 0.005575 -0.009618 0.001430 27O 1dxy -0.002327 -0.007006 0.004979 0.001421 0.010880 0.005336 27O 2dz2 -0.040620 0.014425 -0.019710 0.063095 -0.109935 -0.035152 27O 2dxz -0.042595 0.201362 -0.311498 -0.079998 0.269804 0.136907 27O 2dyz 0.003511 -0.038033 0.086382 0.065697 -0.125938 -0.071848 27O 2dx2y2 0.117181 0.074576 -0.124066 -0.013833 0.046079 0.045184 27O 2dxy 0.001555 0.088767 -0.150783 0.119974 -0.136172 -0.004806 27O 1f0 0.000049 -0.007765 0.008438 0.009721 -0.019997 -0.012537 27O 1f+1 0.022302 0.012536 -0.024595 0.005311 -0.011941 -0.018604 27O 1f-1 -0.004553 -0.018944 0.018891 -0.005633 0.029045 0.019895 27O 1f+2 0.010834 0.016303 -0.013840 -0.010047 0.030108 0.013138 27O 1f-2 0.017930 -0.012345 0.024791 0.001059 -0.029909 -0.011861 27O 1f+3 -0.005426 -0.031791 0.044625 -0.022214 0.041875 0.023014 27O 1f-3 0.003443 0.008219 -0.015069 0.006085 -0.010492 -0.019559 28O 1s 0.029742 -0.003297 -0.011622 0.003178 0.001124 -0.001596 28O 2s 0.102930 -0.009718 -0.040432 0.010215 0.003812 -0.006816 28O 3s -0.735742 0.022269 0.304967 -0.054754 -0.028499 0.079562 28O 4s 1.173220 0.239971 -0.596104 -0.036141 0.057897 -0.289258 28O 5s -4.521450 0.222094 2.189030 -0.243697 -0.232040 0.265112 28O 1pz -0.141391 -0.125318 0.123265 0.133008 0.011151 0.088454 28O 1px 0.048806 -0.034735 -0.049588 0.067078 0.019201 0.022354 28O 1py -0.084644 0.116536 0.045408 -0.118799 0.012151 0.006973 28O 2pz 0.685829 0.212684 -0.446025 -0.342250 -0.020532 -0.190252 28O 2px -0.448273 0.292011 0.202645 -0.317765 -0.069647 -0.143836 28O 2py 0.312225 -0.394071 -0.153646 0.426149 -0.040637 -0.033313 28O 3pz -0.063663 -0.178406 0.448807 0.065870 -0.003703 0.238191 28O 3px -0.996482 0.087732 0.352738 0.027251 0.017349 0.076373 28O 3py -0.458839 0.041973 0.398336 -0.214135 -0.055045 0.151666 28O 1dz2 -0.002867 0.012681 0.002052 -0.012613 -0.003101 -0.006926 28O 1dxz -0.005781 0.004510 0.003473 0.000282 -0.000977 -0.002523 28O 1dyz -0.007226 -0.011220 0.004247 0.009892 -0.000856 0.001749 28O 1dx2y2 0.003706 -0.004036 -0.003131 0.003831 0.000529 0.004313 28O 1dxy -0.008673 0.013689 -0.000225 -0.013208 0.002652 0.005895 28O 2dz2 -0.060789 -0.215871 0.079092 0.304954 0.037668 0.097165 28O 2dxz 0.111637 0.031894 -0.054254 -0.053718 0.024312 0.019109 28O 2dyz -0.120735 0.163078 0.044540 -0.200590 0.019318 0.064658 28O 2dx2y2 -0.040965 0.066329 -0.008084 -0.079658 -0.025252 -0.062178 28O 2dxy 0.038751 -0.211321 -0.008845 0.250773 -0.014161 -0.003909 28O 1f0 -0.016262 -0.034043 0.002856 0.041904 0.013628 0.040507 28O 1f+1 -0.006480 0.023274 -0.005576 -0.024107 -0.003419 -0.001766 28O 1f-1 -0.003016 0.013987 -0.007607 -0.013776 0.000135 0.003806 28O 1f+2 0.026720 -0.023829 -0.003334 0.016061 -0.001968 0.001702 28O 1f-2 0.007146 -0.023370 0.002810 0.019837 -0.002696 -0.002608 28O 1f+3 0.019501 -0.007333 -0.004520 0.006922 0.002864 0.013376 28O 1f-3 0.004712 -0.005588 -0.008175 0.002513 -0.007071 -0.014560 29O 1s -0.000359 0.000071 -0.009342 -0.004268 0.009655 -0.006121 29O 2s -0.001143 -0.000309 -0.033968 -0.016218 0.039399 -0.022184 29O 3s 0.005329 0.015157 0.293594 0.153951 -0.431948 0.191167 29O 4s 0.000080 -0.016929 -0.607197 -0.330315 0.968254 -0.395159 29O 5s 0.022333 -0.202985 0.638943 0.236864 -0.225013 0.440369 29O 1pz -0.010614 -0.005594 0.010584 -0.006790 0.027965 0.009876 29O 1px -0.010205 0.003283 -0.014949 0.001298 -0.057097 -0.007690 29O 1py -0.004587 -0.015560 -0.015731 -0.017011 0.091112 -0.009015 29O 2pz -0.007760 0.034349 -0.022829 0.019743 -0.139162 -0.018362 29O 2px 0.015911 -0.027603 0.021992 -0.022605 0.229316 0.016460 29O 2py 0.005731 0.058537 0.071623 0.080758 -0.369693 0.036106 29O 3pz -0.122469 -0.016077 -0.058798 0.089302 -0.057050 0.054313 29O 3px -0.044627 0.064652 -0.180307 -0.009727 0.041962 -0.095758 29O 3py -0.020089 0.022437 -0.176429 -0.134175 0.044881 -0.108225 29O 1dz2 0.001118 0.000733 -0.002906 0.007076 -0.009235 -0.001066 29O 1dxz 0.000056 0.001115 0.009903 -0.004154 -0.001925 -0.001889 29O 1dyz 0.002615 0.000465 -0.001252 -0.006387 0.000398 -0.000318 29O 1dx2y2 0.000122 -0.001134 0.002663 -0.002648 -0.005551 -0.001667 29O 1dxy 0.001732 -0.000711 0.006727 0.006902 0.004985 0.001289 29O 2dz2 0.018032 -0.019032 -0.037284 -0.011028 0.099874 -0.017459 29O 2dxz -0.006712 0.000357 0.006769 -0.032045 0.072656 -0.019660 29O 2dyz 0.029809 -0.010950 0.001844 -0.024411 0.040949 0.002556 29O 2dx2y2 -0.002536 0.000762 0.007108 -0.004810 -0.044717 -0.006655 29O 2dxy 0.011424 0.011475 0.043852 0.044415 -0.104758 0.018266 29O 1f0 0.000473 -0.001304 -0.009985 -0.007215 0.018449 -0.004886 29O 1f+1 0.004561 -0.000637 -0.000912 0.008121 -0.006443 0.002264 29O 1f-1 -0.001237 -0.003381 -0.010817 -0.006453 0.021942 -0.005513 29O 1f+2 -0.003262 0.000508 0.010275 -0.003074 -0.005542 0.000916 29O 1f-2 -0.000635 0.000328 -0.008112 -0.007412 0.010481 -0.007126 29O 1f+3 0.001591 0.001459 -0.001564 0.002482 -0.005993 0.005211 29O 1f-3 0.000502 0.000371 -0.001226 -0.004444 -0.014463 0.004837 30O 1s -0.031602 -0.004638 0.001056 0.013280 -0.004809 0.005202 30O 2s -0.108704 -0.014331 0.001902 0.046352 -0.015269 0.018386 30O 3s 0.769278 0.058220 0.039989 -0.360191 0.118427 -0.127207 30O 4s -1.214927 0.173699 -0.365557 0.694054 -0.190461 0.167746 30O 5s 4.464484 0.253489 -0.092916 -1.924176 0.165323 -1.102679 30O 1pz 0.086812 0.073470 -0.095138 -0.052888 -0.111749 -0.074990 30O 1px -0.012604 0.028611 -0.005435 0.045310 -0.082956 -0.031285 30O 1py -0.099067 0.132548 -0.191665 0.098328 0.134234 0.091395 30O 2pz -0.498826 -0.359548 0.474289 0.169193 0.376833 0.335298 30O 2px 0.335768 0.082078 -0.153629 -0.183188 0.284118 0.015730 30O 2py 0.540749 -0.251563 0.442774 -0.334909 -0.394765 -0.306243 30O 3pz -0.127584 -0.026464 -0.181004 -0.161967 -0.279861 -0.241589 30O 3px 1.103595 0.129791 0.009121 -0.332748 0.081576 -0.288760 30O 3py -0.082617 0.198259 -0.116786 0.376113 0.420235 0.319201 30O 1dz2 -0.007098 -0.011993 0.012299 -0.005523 0.011732 0.008051 30O 1dxz 0.008759 0.010228 -0.011028 -0.000996 -0.002093 -0.004597 30O 1dyz -0.002839 0.006436 -0.005477 0.005432 -0.004164 0.004997 30O 1dx2y2 -0.002349 -0.006081 0.009344 0.008753 -0.011957 -0.006882 30O 1dxy -0.011270 0.001461 -0.005311 0.003623 -0.003246 -0.001888 30O 2dz2 -0.002048 0.180415 -0.288626 0.060613 -0.121999 -0.109431 30O 2dxz -0.100729 -0.140913 0.211363 0.010101 0.003765 0.057200 30O 2dyz -0.151058 -0.042375 0.055840 -0.005729 0.193154 0.153328 30O 2dx2y2 -0.002184 0.106478 -0.172968 -0.017040 0.273281 0.106696 30O 2dxy 0.054458 -0.111517 0.178290 -0.081872 0.115106 0.053408 30O 1f0 0.018911 0.009404 -0.016667 -0.007595 0.020867 0.013333 30O 1f+1 -0.006242 -0.008504 0.006383 -0.000051 0.015500 0.021199 30O 1f-1 -0.004201 -0.034042 0.042643 -0.004565 -0.000356 -0.011439 30O 1f+2 -0.020806 -0.002707 0.004650 -0.006153 0.022678 0.005724 30O 1f-2 -0.013412 -0.012099 0.010099 0.003922 -0.008897 0.005027 30O 1f+3 -0.000115 0.022311 -0.035311 0.007610 0.010638 0.008321 30O 1f-3 -0.024600 -0.001812 -0.007556 -0.017093 0.068038 0.041723 31O 1s -0.031557 -0.003980 -0.001111 -0.013372 -0.005822 -0.004780 31O 2s -0.108593 -0.012120 -0.002070 -0.046645 -0.018845 -0.017250 31O 3s 0.769072 0.043463 -0.039464 0.362028 0.142151 0.120481 31O 4s -1.214891 0.189794 0.368890 -0.695035 -0.217880 -0.171734 31O 5s 4.469005 0.179660 0.094617 1.915373 0.381913 1.122571 31O 1pz -0.088717 -0.071103 -0.098816 -0.053510 0.094369 -0.097303 31O 1px 0.011889 -0.029792 -0.006252 0.045486 0.075446 -0.044516 31O 1py 0.101465 -0.131106 -0.193298 0.094616 -0.115417 0.117317 31O 2pz 0.502891 0.345339 0.487457 0.172761 -0.300344 0.406774 31O 2px -0.332770 -0.069440 -0.153174 -0.185145 -0.279192 0.066918 31O 2py -0.546082 0.254366 0.446735 -0.324846 0.329568 -0.379471 31O 3pz 0.123979 0.031520 -0.184275 -0.164906 0.227035 -0.300908 31O 3px -1.105213 -0.115655 0.009413 -0.330184 -0.136395 -0.280436 31O 3py 0.088261 -0.203706 -0.113099 0.373262 -0.345754 0.408921 31O 1dz2 -0.007115 -0.011972 -0.012761 0.005323 0.009698 -0.010090 31O 1dxz 0.008620 0.009884 0.011335 0.001206 -0.001034 0.005089 31O 1dyz -0.003003 0.006480 0.005611 -0.005355 -0.004958 -0.004508 31O 1dx2y2 -0.002285 -0.005626 -0.009503 -0.008920 -0.010476 0.009161 31O 1dxy -0.011121 0.001670 0.005462 -0.003560 -0.002956 0.002552 31O 2dz2 -0.001376 0.178137 0.295141 -0.057128 -0.098283 0.130444 31O 2dxz -0.100052 -0.136040 -0.215776 -0.012725 -0.009318 -0.056625 31O 2dyz -0.151672 -0.041490 -0.057590 0.005715 0.159084 -0.188009 31O 2dx2y2 -0.003901 0.101486 0.174137 0.020638 0.248072 -0.155659 31O 2dxy 0.053533 -0.111741 -0.182754 0.079355 0.101342 -0.076140 31O 1f0 -0.018872 -0.008966 -0.016940 -0.007638 -0.017982 0.017204 31O 1f+1 0.006300 0.008653 0.007186 0.000011 -0.011104 0.023900 31O 1f-1 0.004360 0.033656 0.043658 -0.004059 -0.001462 -0.011660 31O 1f+2 0.020607 0.002482 0.004381 -0.006171 -0.021005 0.009682 31O 1f-2 0.013570 0.011636 0.010255 0.003971 0.009791 0.003225 31O 1f+3 0.000294 -0.021712 -0.035708 0.007131 -0.009232 0.010682 31O 1f-3 0.024696 0.002241 -0.007348 -0.017269 -0.058445 0.054078 32O 1s -0.000193 -0.000267 0.009494 0.004019 0.010616 0.004770 32O 2s -0.000430 -0.001520 0.034511 0.015280 0.042810 0.016675 32O 3s -0.003140 0.025238 -0.298094 -0.145271 -0.459948 -0.130976 32O 4s 0.019669 -0.036594 0.615152 0.312570 1.025167 0.257181 32O 5s 0.023622 -0.184231 -0.644306 -0.225547 -0.300291 -0.387410 32O 1pz 0.009854 0.004905 0.010647 -0.005745 -0.022361 0.013329 32O 1px 0.011162 -0.001415 -0.014714 0.000782 0.055216 -0.016211 32O 1py 0.004021 0.016245 -0.016219 -0.015798 -0.091217 0.003851 32O 2pz 0.010729 -0.033574 -0.022826 0.014832 0.119525 -0.035417 32O 2px -0.021110 0.023943 0.021396 -0.021410 -0.226474 0.048360 32O 2py 0.000828 -0.061408 0.072604 0.076794 0.371740 -0.014358 32O 3pz 0.121908 0.013385 -0.058724 0.088728 0.068248 0.044834 32O 3px 0.041506 -0.059983 -0.179350 -0.008362 -0.059883 -0.082220 32O 3py 0.025492 -0.015635 -0.179031 -0.131111 -0.062264 -0.098522 32O 1dz2 0.000880 0.000893 0.002947 -0.007112 -0.009011 0.002167 32O 1dxz -0.000049 0.001182 -0.009927 0.004159 -0.001573 0.002028 32O 1dyz 0.002631 0.000388 0.000993 0.006243 0.000206 0.000429 32O 1dx2y2 -0.000071 -0.001260 -0.002579 0.002651 -0.005192 0.002643 32O 1dxy 0.001737 -0.000425 -0.006820 -0.007020 0.004531 -0.002187 32O 2dz2 0.019577 -0.019451 0.038185 0.008988 0.099022 0.004148 32O 2dxz -0.005219 0.000562 -0.006693 0.031938 0.077700 0.009396 32O 2dyz 0.030790 -0.012896 -0.000618 0.023929 0.041684 -0.006576 32O 2dx2y2 -0.004239 0.000555 -0.006503 0.005274 -0.042062 0.013947 32O 2dxy 0.008299 0.012362 -0.043833 -0.043274 -0.106373 -0.004281 32O 1f0 -0.000901 0.001485 -0.009565 -0.006425 -0.017553 -0.002233 32O 1f+1 -0.004345 0.000498 -0.000501 0.008305 0.007802 0.001602 32O 1f-1 0.000922 0.003730 -0.011350 -0.006430 -0.023129 -0.002625 32O 1f+2 0.003304 -0.000748 0.010965 -0.002938 0.006880 0.000525 32O 1f-2 0.000333 -0.000149 -0.007796 -0.007114 -0.011619 -0.005812 32O 1f+3 -0.001505 -0.001597 -0.001631 0.002220 0.006278 0.004229 32O 1f-3 -0.000530 -0.000201 -0.001299 -0.004795 0.014954 0.002324 33O 1s 0.029649 -0.003263 0.011660 -0.003185 0.001510 0.001886 33O 2s 0.102625 -0.009766 0.040555 -0.010273 0.005380 0.007711 33O 3s -0.733593 0.027114 -0.305848 0.055879 -0.045730 -0.085707 33O 4s 1.168454 0.206993 0.597144 0.030608 0.116375 0.290410 33O 5s -4.516520 0.247022 -2.187822 0.255879 -0.284633 -0.247697 33O 1pz 0.141694 0.114027 0.124003 0.133148 0.004245 0.078239 33O 1px -0.048373 0.034525 -0.048915 0.068502 -0.015208 0.023010 33O 1py 0.085355 -0.118011 0.043302 -0.124454 -0.011501 -0.001681 33O 2pz -0.685841 -0.193196 -0.448037 -0.346049 -0.011594 -0.162089 33O 2px 0.446826 -0.275410 0.200655 -0.320355 0.042783 -0.142359 33O 2py -0.314231 0.394553 -0.147270 0.443597 0.037677 -0.004487 33O 3pz 0.063594 0.165599 0.446220 0.064076 0.043544 0.199967 33O 3px 0.996683 -0.091551 0.354091 0.026127 0.000843 0.092488 33O 3py 0.456719 -0.044855 0.394392 -0.217500 0.080906 0.124471 33O 1dz2 -0.002813 0.012487 -0.001845 0.013116 -0.001843 0.007138 33O 1dxz -0.005695 0.004045 -0.003511 -0.000551 -0.000528 0.002499 33O 1dyz -0.007282 -0.010911 -0.004307 -0.010283 -0.001143 -0.002009 33O 1dx2y2 0.003603 -0.003728 0.003109 -0.003772 -0.000280 -0.003717 33O 1dxy -0.008577 0.013359 0.000408 0.013685 0.001650 -0.005191 33O 2dz2 -0.060805 -0.205303 -0.081609 -0.310470 0.020124 -0.089096 33O 2dxz 0.110917 0.031436 0.055082 0.056718 0.021102 -0.018622 33O 2dyz -0.121370 0.159685 -0.041432 0.206076 0.010012 -0.047972 33O 2dx2y2 -0.040009 0.060847 0.008200 0.079857 -0.014475 0.056002 33O 2dxy 0.039572 -0.208102 0.005724 -0.259830 -0.015737 -0.007122 33O 1f0 0.016127 0.033223 0.003422 0.042870 -0.007037 0.038821 33O 1f+1 0.006356 -0.022026 -0.005761 -0.024636 0.002965 -0.002138 33O 1f-1 0.002900 -0.012656 -0.007684 -0.013371 0.000370 0.002194 33O 1f+2 -0.026979 0.022899 -0.002973 0.016533 0.002219 0.002305 33O 1f-2 -0.007098 0.023418 0.003286 0.021068 0.002484 -0.000273 33O 1f+3 -0.019474 0.007203 -0.004606 0.007268 -0.000630 0.013628 33O 1f-3 -0.004678 0.006285 -0.008097 0.003492 0.004640 -0.014658 34O 1s -0.028569 0.003695 -0.001107 -0.012618 -0.007454 0.000974 34O 2s -0.099142 0.012218 -0.004949 -0.043582 -0.023680 0.001986 34O 3s 0.757695 -0.066587 0.081743 0.309501 0.113080 0.031310 34O 4s -1.480221 -0.044475 -0.440296 -0.543895 -0.107525 -0.178766 34O 5s 4.081690 -0.301181 0.035730 2.198456 1.075431 -0.045204 34O 1pz -0.012548 -0.107546 -0.163344 -0.057900 -0.094281 0.026825 34O 1px -0.096862 -0.032299 -0.055929 -0.086983 -0.011657 -0.015173 34O 1py 0.032329 -0.049525 -0.064737 0.110997 0.058180 0.002181 34O 2pz 0.041605 0.324085 0.536407 0.183431 0.349686 -0.151296 34O 2px 0.430228 -0.060300 -0.043417 0.448134 0.328499 -0.138667 34O 2py -0.147653 0.182204 0.248913 -0.377516 -0.272213 0.027055 34O 3pz -0.377946 -0.035940 -0.171436 -0.465207 -0.167108 0.040045 34O 3px 0.839069 0.003875 0.058862 0.041154 0.242891 -0.071521 34O 3py 0.317521 -0.157630 -0.188532 0.640681 0.159616 -0.038422 34O 1dz2 0.001205 -0.003455 -0.002327 0.002543 0.008139 -0.004975 34O 1dxz 0.002983 -0.010748 -0.013613 -0.002178 -0.017133 0.019729 34O 1dyz -0.002985 0.006577 0.004309 -0.007558 -0.002858 0.003369 34O 1dx2y2 -0.004242 -0.001703 -0.004278 -0.005652 -0.009690 0.000264 34O 1dxy -0.002547 -0.006938 -0.005151 -0.001481 0.009673 -0.007236 34O 2dz2 -0.040341 0.015645 0.020069 -0.062807 -0.100011 0.053908 34O 2dxz -0.041066 0.193914 0.315773 0.084084 0.237952 -0.185569 34O 2dyz 0.002936 -0.035074 -0.087560 -0.066932 -0.109549 0.093485 34O 2dx2y2 0.115968 0.072637 0.125251 0.015553 0.038112 -0.052448 34O 2dxy 0.001712 0.089976 0.152690 -0.118540 -0.131386 0.028666 34O 1f0 0.000010 0.007669 0.008839 0.009627 0.017015 -0.016228 34O 1f+1 -0.022040 -0.012185 -0.025208 0.005069 0.008173 -0.020860 34O 1f-1 0.004824 0.019001 0.019773 -0.005385 -0.024645 0.025182 34O 1f+2 -0.011091 -0.015889 -0.014393 -0.010168 -0.027077 0.018831 34O 1f-2 -0.018022 0.012084 0.025281 0.001554 0.026965 -0.017261 34O 1f+3 0.005335 0.031415 0.045426 -0.021559 -0.036147 0.030504 34O 1f-3 -0.003151 -0.007822 -0.015365 0.005802 0.006555 -0.021460 35O 1s 0.027605 0.001545 0.015673 0.001381 0.005979 -0.004721 35O 2s 0.095928 0.004988 0.055307 0.004267 0.021672 -0.015948 35O 3s -0.730143 -0.020964 -0.428628 -0.017905 -0.189070 0.115577 35O 4s 1.382598 -0.058195 0.814496 -0.087752 0.455119 -0.246660 35O 5s -4.091544 -0.102037 -2.272614 -0.032661 -0.619443 0.469064 35O 1pz 0.041459 0.044521 0.132827 0.062656 0.010507 0.004525 35O 1px 0.079788 0.036579 0.089340 0.039059 0.013446 0.021216 35O 1py 0.067219 -0.123923 0.104524 -0.159795 0.025371 -0.062391 35O 2pz -0.155555 -0.151577 -0.379143 -0.196275 -0.023100 -0.022688 35O 2px -0.393716 -0.201099 -0.363121 -0.203246 0.004475 -0.055275 35O 2py -0.275205 0.328106 -0.335919 0.472969 -0.068890 0.252237 35O 3pz 0.476436 0.123460 0.730116 0.114835 0.163476 -0.047301 35O 3px -0.883968 0.085776 -0.060038 0.051782 -0.018927 0.232146 35O 3py -0.047487 -0.028434 0.402938 -0.142657 0.064710 -0.099048 35O 1dz2 -0.005181 0.001701 -0.005134 0.005723 0.002968 -0.002176 35O 1dxz -0.002666 0.010179 -0.005779 0.007461 0.000330 -0.003932 35O 1dyz -0.004510 -0.001557 -0.009570 -0.000833 -0.002060 0.002627 35O 1dx2y2 0.002262 0.012644 0.004276 0.010161 -0.002258 0.009237 35O 1dxy -0.000780 -0.007448 -0.003497 -0.007074 0.000489 -0.010917 35O 2dz2 0.064728 -0.053570 0.002999 -0.065664 -0.011470 -0.042660 35O 2dxz 0.033974 -0.109296 -0.060599 -0.149624 0.018967 -0.063147 35O 2dyz 0.007335 -0.023716 -0.048729 -0.011314 -0.012560 0.044822 35O 2dx2y2 -0.070230 -0.181563 -0.025564 -0.235734 0.025150 -0.137546 35O 2dxy -0.069297 0.150648 -0.055805 0.213364 -0.016106 0.152005 35O 1f0 -0.000716 0.012785 -0.000367 0.016203 -0.000406 -0.009229 35O 1f+1 -0.006240 0.028129 0.005964 0.037420 0.006314 -0.010312 35O 1f-1 -0.010435 0.020997 0.005202 0.025983 0.000032 0.002856 35O 1f+2 0.010301 0.027528 0.006252 0.036070 0.000166 0.003769 35O 1f-2 -0.015702 0.006345 -0.002258 -0.008573 0.002796 -0.004161 35O 1f+3 0.008817 -0.029618 0.004211 -0.025448 0.003516 -0.021103 35O 1f-3 0.019465 -0.004785 0.001404 -0.015301 -0.002786 0.007517 552 553 554 555 556 557 3.68134 3.69577 3.70191 3.71393 3.73399 3.74487 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s -0.004567 -0.003095 0.001740 0.000474 -0.000751 -0.000852 0Rh 2s 0.040136 0.026651 -0.010666 -0.002272 0.006198 0.006967 0Rh 3s -0.002993 -0.002362 0.003931 0.001458 -0.000738 -0.000877 0Rh 4s -0.219617 -0.145922 0.058791 0.012741 -0.034047 -0.038261 0Rh 5s 0.484603 0.319781 -0.112377 -0.022717 0.073781 0.082513 0Rh 6s -0.426151 -0.268509 0.021354 -0.003925 -0.056773 -0.061651 0Rh 7s 0.338254 -0.053915 0.456370 -0.095986 -0.083063 -0.090634 0Rh 8s 0.188019 0.207586 -0.202056 -0.506896 0.134555 0.067242 0Rh 1pz -0.003890 0.002925 0.003462 0.001890 0.003282 0.003268 0Rh 1px 0.003136 -0.000137 -0.007242 -0.002017 0.000024 0.000787 0Rh 1py -0.000273 0.002892 -0.002956 0.001693 0.002794 -0.004406 0Rh 2pz 0.014585 -0.010610 -0.013659 -0.007519 -0.012546 -0.012334 0Rh 2px -0.012403 0.000347 0.028456 0.008266 -0.000252 -0.003090 0Rh 2py 0.001039 -0.010974 0.011559 -0.006510 -0.010532 0.016955 0Rh 3pz -0.021848 0.007735 0.034504 0.020974 0.023502 0.019984 0Rh 3px 0.032473 0.003684 -0.069795 -0.028162 0.003896 0.007689 0Rh 3py -0.002219 0.018865 -0.027438 0.013800 0.016855 -0.034018 0Rh 4pz -0.028185 0.057894 -0.031077 -0.029943 0.006625 0.017126 0Rh 4px -0.035826 -0.022885 0.057638 0.057302 -0.014958 -0.008437 0Rh 4py 0.002262 0.012567 0.020700 -0.007663 0.014530 0.000634 0Rh 5pz 0.083019 -0.132692 0.020444 0.051889 -0.053525 -0.045984 0Rh 5px 0.038518 0.068356 -0.041753 -0.125614 0.028333 0.021125 0Rh 5py 0.001966 -0.046190 -0.007841 0.000858 -0.031689 0.052875 0Rh 6pz 0.206190 -0.493174 -0.040564 -0.283811 0.096145 -0.587506 0Rh 6px 0.066168 -0.388177 0.637374 1.260429 0.006335 -0.329594 0Rh 6py -0.463173 -0.531592 -0.117986 0.508805 -0.660273 -0.069866 0Rh 1dz2 -0.014589 0.026187 -0.028632 -0.021210 0.048198 0.040954 0Rh 1dxz 0.046089 -0.060097 0.019482 -0.007988 0.031430 -0.084066 0Rh 1dyz 0.015380 0.008733 0.016393 0.011330 0.000089 -0.003860 0Rh 1dx2y2 0.011828 -0.035542 -0.040207 -0.017201 0.073559 -0.029171 0Rh 1dxy -0.025917 -0.035466 -0.000319 0.023134 -0.081894 -0.019154 0Rh 2dz2 -0.002606 0.002960 -0.005727 -0.001461 0.007811 0.006260 0Rh 2dxz 0.004592 -0.009563 0.000384 0.000741 0.005671 -0.012951 0Rh 2dyz 0.001582 0.002305 0.001953 0.002848 0.001082 -0.000212 0Rh 2dx2y2 0.003426 -0.003824 -0.003349 -0.005818 0.012153 -0.004264 0Rh 2dxy -0.004211 -0.003272 0.001255 0.002213 -0.011936 -0.003751 0Rh 3dz2 0.064005 -0.106556 0.128631 0.082229 -0.208984 -0.175783 0Rh 3dxz -0.184421 0.258352 -0.070843 0.024946 -0.138588 0.361882 0Rh 3dyz -0.061631 -0.041615 -0.067301 -0.053942 -0.005257 0.014887 0Rh 3dx2y2 -0.058212 0.143601 0.158356 0.088437 -0.319575 0.124298 0Rh 3dxy 0.110893 0.141316 -0.004736 -0.092567 0.348212 0.086199 0Rh 4dz2 -0.086777 0.124742 -0.176526 -0.084618 0.271381 0.227512 0Rh 4dxz 0.208808 -0.334095 0.062923 -0.012367 0.183360 -0.470668 0Rh 4dyz 0.070319 0.057361 0.078262 0.083584 0.018186 -0.017981 0Rh 4dx2y2 0.092361 -0.164375 -0.171490 -0.143075 0.418168 -0.159089 0Rh 4dxy -0.138712 -0.161414 0.019341 0.104483 -0.443617 -0.118601 0Rh 5dz2 0.095267 -0.031284 0.183918 -0.047567 -0.175663 -0.169174 0Rh 5dxz -0.048330 0.274203 0.104897 -0.059392 -0.134635 0.352636 0Rh 5dyz -0.039938 0.023040 -0.000916 -0.160826 -0.054763 0.025179 0Rh 5dx2y2 -0.165108 0.045662 -0.049892 0.196144 -0.306393 0.113546 0Rh 5dxy 0.073540 0.077914 -0.091332 -0.025881 0.314444 0.111378 0Rh 1f0 -0.017506 0.001860 -0.000232 0.011920 -0.013281 0.012449 0Rh 1f+1 0.008028 0.010526 0.000523 -0.008039 -0.018178 0.020028 0Rh 1f-1 0.006833 -0.011166 -0.001647 -0.002615 -0.012239 -0.010434 0Rh 1f+2 0.003345 0.013984 -0.007566 -0.019750 -0.006896 -0.005254 0Rh 1f-2 0.011350 -0.008771 -0.002194 -0.002801 0.007116 -0.000380 0Rh 1f+3 0.015332 0.004943 0.005651 -0.017530 -0.004536 -0.008867 0Rh 1f-3 0.018585 0.004884 -0.003741 -0.001983 0.017597 0.016050 1Rh 1s -0.004483 -0.003430 -0.001185 -0.000537 -0.000698 -0.000788 1Rh 2s 0.039751 0.028488 0.006106 0.002806 0.005870 0.006493 1Rh 3s -0.002726 -0.003250 -0.003374 -0.001506 -0.000621 -0.000780 1Rh 4s -0.217480 -0.156071 -0.033806 -0.015668 -0.032234 -0.035647 1Rh 5s 0.481166 0.338019 0.058512 0.029132 0.070248 0.077068 1Rh 6s -0.428665 -0.266203 0.019653 -0.001451 -0.055757 -0.058398 1Rh 7s 0.368831 -0.157544 -0.400773 0.096614 -0.080764 -0.086382 1Rh 8s 0.174487 0.248823 0.155358 0.509307 0.113941 0.058283 1Rh 1pz 0.003720 -0.001891 0.004370 0.001857 -0.003620 -0.003369 1Rh 1px -0.002653 -0.001513 -0.007287 -0.001977 0.000151 -0.000665 1Rh 1py 0.000548 -0.003749 -0.002228 0.001604 -0.002888 0.004587 1Rh 2pz -0.013924 0.006566 -0.016974 -0.007403 0.013859 0.012730 1Rh 2px 0.010508 0.006131 0.028579 0.008111 -0.000458 0.002601 1Rh 2py -0.002108 0.014324 0.008779 -0.006172 0.010897 -0.017648 1Rh 3pz 0.020356 0.001723 0.037468 0.020930 -0.026463 -0.020949 1Rh 3px -0.027923 -0.019446 -0.068829 -0.027895 -0.001699 -0.006349 1Rh 3py 0.004642 -0.026785 -0.022311 0.013181 -0.017665 0.035429 1Rh 4pz 0.028963 -0.064114 -0.015488 -0.030815 -0.004899 -0.016375 1Rh 4px 0.032351 0.035373 0.051453 0.057486 0.011394 0.006835 1Rh 4py -0.003649 -0.006653 0.022256 -0.007797 -0.014185 -0.000839 1Rh 5pz -0.083117 0.133828 -0.016260 0.054055 0.053309 0.045614 1Rh 5px -0.036011 -0.076722 -0.023035 -0.126569 -0.022023 -0.019046 1Rh 5py -0.002476 0.044463 -0.016819 0.001605 0.032205 -0.054451 1Rh 6pz -0.183020 0.476685 -0.170026 -0.273106 -0.095860 0.591820 1Rh 6px -0.115380 0.550584 0.504003 1.267584 -0.068837 0.306222 1Rh 6py 0.483532 0.466756 -0.204675 0.514092 0.636412 0.076379 1Rh 1dz2 -0.010858 0.026432 0.021055 0.020941 0.050171 0.042036 1Rh 1dxz 0.048995 -0.065453 -0.001407 0.008747 0.036872 -0.082876 1Rh 1dyz 0.014777 0.006961 -0.017221 -0.010515 -0.004848 -0.003968 1Rh 1dx2y2 0.013260 -0.029698 0.048673 0.018163 0.076674 -0.027849 1Rh 1dxy -0.026089 -0.033821 0.007035 -0.024670 -0.081450 -0.021501 1Rh 2dz2 -0.002123 0.003331 0.004747 0.001430 0.008130 0.006398 1Rh 2dxz 0.004867 -0.009759 0.002254 -0.000606 0.006503 -0.012805 1Rh 2dyz 0.001470 0.002168 -0.002366 -0.002668 0.000152 -0.000278 1Rh 2dx2y2 0.003851 -0.003632 0.004422 0.005987 0.012536 -0.004041 1Rh 2dxy -0.004087 -0.003429 -0.000653 -0.002401 -0.012005 -0.004078 1Rh 3dz2 0.048538 -0.109187 -0.097167 -0.081130 -0.217507 -0.180305 1Rh 3dxz -0.195984 0.278230 -0.005792 -0.028269 -0.161934 0.356937 1Rh 3dyz -0.058997 -0.034698 0.072149 0.050215 0.016838 0.015605 1Rh 3dx2y2 -0.065286 0.122010 -0.193381 -0.092650 -0.332491 0.118532 1Rh 3dxy 0.110901 0.136230 -0.022001 0.098914 0.346986 0.096125 1Rh 4dz2 -0.068136 0.131378 0.138166 0.083242 0.281837 0.233004 1Rh 4dxz 0.221507 -0.352576 0.033959 0.016701 0.213212 -0.464661 1Rh 4dyz 0.067253 0.050164 -0.086108 -0.078511 -0.013527 -0.019654 1Rh 4dx2y2 0.103388 -0.144275 0.213654 0.148655 0.433516 -0.151564 1Rh 4dxy -0.136930 -0.159254 0.011424 -0.112247 -0.444151 -0.131105 1Rh 5dz2 0.086287 -0.052189 -0.165634 0.049716 -0.171949 -0.170009 1Rh 5dxz -0.045701 0.248518 -0.172739 0.056590 -0.152305 0.350790 1Rh 5dyz -0.043997 0.017482 -0.005992 0.159529 -0.000312 0.032238 1Rh 5dx2y2 -0.183833 0.070685 0.026443 -0.200425 -0.308920 0.108143 1Rh 5dxy 0.060076 0.100967 0.072732 0.031411 0.332278 0.119266 1Rh 1f0 0.017215 -0.001656 0.001232 0.012275 0.012855 -0.012632 1Rh 1f+1 -0.007883 -0.009738 0.002703 -0.007559 0.017210 -0.020165 1Rh 1f-1 -0.006577 0.010399 -0.004558 -0.002398 0.012067 0.010234 1Rh 1f+2 -0.003216 -0.015556 -0.004545 -0.019926 0.007730 0.005320 1Rh 1f-2 -0.010217 0.006997 -0.004322 -0.003011 -0.007310 0.000449 1Rh 1f+3 -0.015262 -0.003642 0.005650 -0.017301 0.005467 0.008849 1Rh 1f-3 -0.017979 -0.006396 -0.003178 -0.002273 -0.017289 -0.015547 2C 1s 0.000981 0.001844 -0.000944 0.000687 0.002080 0.000969 2C 2s 0.001423 0.006480 -0.001636 0.001908 0.005904 0.002719 2C 3s -0.009433 -0.122311 -0.013114 0.002568 -0.040561 -0.024295 2C 4s -0.058637 0.529152 0.129391 -0.143863 0.152593 0.046769 2C 5s 0.019153 -0.327627 -0.295463 -0.216421 0.044547 0.082217 2C 1pz -0.017744 -0.053232 -0.004473 -0.009832 0.009529 -0.001139 2C 1px -0.045873 0.050579 0.045187 -0.006224 0.028195 -0.003733 2C 1py -0.056896 0.046587 0.055873 0.012699 -0.036839 -0.027153 2C 2pz 0.021993 0.110510 -0.278581 -0.067948 0.600510 0.336816 2C 2px 0.195742 -0.153537 0.066206 -0.050231 -0.355807 -0.239251 2C 2py -0.115051 0.458832 0.343824 0.051691 -0.384622 -0.268102 2C 3pz 0.017359 -0.040327 -0.011325 -0.085539 -0.084986 -0.015225 2C 3px 0.032127 -0.039688 -0.090278 0.032663 0.005816 0.031048 2C 3py 0.049731 -0.132207 -0.098529 -0.038702 0.114919 0.034803 2C 1dz2 -0.038702 0.030789 0.057947 0.039281 -0.134854 -0.089399 2C 1dxz -0.176101 0.258075 0.145749 0.053675 0.011891 0.015260 2C 1dyz -0.050110 -0.018435 0.033935 -0.028438 -0.012650 -0.031491 2C 1dx2y2 -0.037832 0.118114 0.147051 0.003729 -0.204116 -0.139569 2C 1dxy -0.004676 -0.077282 -0.098133 -0.049319 0.296937 0.149919 2C 2dz2 0.000650 0.077453 -0.126063 -0.032936 0.317160 0.204412 2C 2dxz 0.386409 -0.482591 -0.277148 -0.031015 -0.284578 -0.109625 2C 2dyz 0.021617 0.196206 0.051782 0.032758 0.023848 0.000554 2C 2dx2y2 -0.082571 0.065707 0.054796 0.019580 0.085822 0.040408 2C 2dxy 0.207697 -0.227869 -0.135396 0.005806 -0.230416 -0.074035 2C 1f0 -0.115442 0.140333 0.051021 0.008684 0.197254 0.082397 2C 1f+1 0.059513 -0.014043 -0.009224 0.051653 -0.207648 -0.096878 2C 1f-1 0.033075 0.060976 0.044176 0.011486 -0.041083 -0.024129 2C 1f+2 0.014937 -0.037635 0.058172 0.004182 -0.065387 -0.076547 2C 1f-2 0.184326 -0.307543 -0.189209 -0.041810 -0.032502 0.010304 2C 1f+3 0.197180 -0.240987 -0.253932 -0.032489 0.066475 0.090910 2C 1f-3 -0.039410 0.043785 0.012151 -0.009320 0.162248 0.067251 3C 1s 0.000999 0.001526 -0.000362 -0.000811 -0.001319 0.000575 3C 2s 0.002121 0.004768 0.000084 -0.001890 -0.002929 0.002239 3C 3s -0.016308 -0.109381 -0.041237 -0.015221 -0.032924 -0.041545 3C 4s 0.017873 0.426675 0.223447 0.173871 0.174357 0.232436 3C 5s 0.092628 -0.683253 -0.620554 -0.042221 -0.242803 -0.337503 3C 1pz -0.018739 -0.020853 0.022057 0.000431 0.011893 -0.030856 3C 1px -0.046816 -0.016108 0.059421 0.026626 0.004347 0.011268 3C 1py 0.010919 0.051186 0.007930 0.001062 0.022547 -0.013019 3C 2pz -0.078025 0.193983 0.141474 -0.050466 0.076171 -0.012105 3C 2px -0.089539 0.236987 0.176095 0.007365 0.367771 -0.795489 3C 2py -0.086481 -0.272822 0.062463 -0.050619 0.159526 -0.561991 3C 3pz 0.006067 -0.043691 -0.096597 0.017715 -0.090999 -0.004572 3C 3px 0.041399 -0.060307 -0.176014 -0.014070 -0.080385 0.048646 3C 3py -0.028301 0.131604 0.098178 -0.010866 -0.015952 0.126593 3C 1dz2 0.013878 0.006426 -0.005704 -0.011860 0.056641 -0.084256 3C 1dxz 0.065494 -0.059288 -0.080333 -0.010771 -0.170491 0.359992 3C 1dyz 0.005477 0.039838 0.048071 0.000915 0.018669 0.028112 3C 1dx2y2 0.069027 -0.005206 -0.072810 0.014304 -0.094497 0.203816 3C 1dxy 0.076456 0.019550 -0.131356 -0.023329 0.006362 -0.071584 3C 2dz2 -0.080189 -0.029476 0.080968 -0.002032 -0.037385 0.015920 3C 2dxz 0.086457 0.078687 -0.179529 -0.089936 0.096714 -0.302193 3C 2dyz 0.041461 -0.175007 -0.132570 -0.028617 0.024852 -0.210817 3C 2dx2y2 -0.057386 -0.067533 0.046136 -0.029898 0.104330 -0.329941 3C 2dxy -0.113464 -0.143760 0.183191 0.076772 -0.140097 0.401580 3C 1f0 -0.102482 -0.036246 0.126290 0.012436 0.047991 -0.116767 3C 1f+1 0.010483 -0.019237 0.014063 -0.010673 -0.091304 0.199509 3C 1f-1 0.019124 -0.027160 -0.045895 -0.019913 -0.027416 -0.004428 3C 1f+2 0.067239 -0.030533 -0.131775 -0.064276 -0.014713 -0.054169 3C 1f-2 -0.089561 0.007575 0.162320 0.047658 -0.028938 0.011221 3C 1f+3 0.023348 0.076478 -0.046616 -0.061896 0.087731 -0.266141 3C 1f-3 0.060765 -0.025096 -0.116158 -0.047355 0.048409 -0.158970 4C 1s 0.003455 -0.004016 -0.004918 0.003031 -0.000966 0.001845 4C 2s 0.011891 -0.010385 -0.014033 0.007195 -0.002503 0.005201 4C 3s -0.069481 -0.039582 0.076626 -0.000709 -0.046937 -0.042999 4C 4s -0.241239 0.745330 0.225009 -0.212896 0.298936 0.067143 4C 5s -0.438469 0.840752 0.171700 0.183757 0.282226 0.095936 4C 1pz 0.068267 -0.063075 -0.053758 -0.014983 0.019281 0.032967 4C 1px 0.058958 -0.062192 -0.047734 0.040672 -0.053151 -0.043491 4C 1py 0.058677 -0.033482 -0.041697 0.020180 -0.064706 -0.014803 4C 2pz 0.004524 0.396053 -0.062447 -0.054343 -0.008214 0.003423 4C 2px -0.563620 0.999654 0.836623 -0.165272 0.393022 -0.006593 4C 2py -0.170286 0.420623 0.209572 -0.169777 0.493060 0.111197 4C 3pz -0.158696 0.223488 -0.091118 -0.219340 0.253396 0.062468 4C 3px -0.022466 -0.118566 0.027194 -0.105596 0.030945 0.007844 4C 3py -0.092572 0.121075 -0.067086 -0.202578 0.053425 0.066062 4C 1dz2 -0.031495 0.038083 0.073679 -0.004758 0.019926 -0.016663 4C 1dxz 0.013414 -0.073770 -0.048510 0.008778 -0.003687 -0.015807 4C 1dyz -0.028320 0.071490 0.032555 -0.007290 0.022427 0.011549 4C 1dx2y2 -0.008468 0.065949 0.060219 -0.026187 0.036170 -0.011106 4C 1dxy -0.001261 0.035219 0.004340 -0.021578 -0.011724 -0.023161 4C 2dz2 -0.091589 -0.018968 -0.200884 0.065251 0.174391 0.213086 4C 2dxz 0.323042 -0.336152 0.093128 0.059351 -0.529267 -0.278451 4C 2dyz -0.024870 -0.014564 0.117489 0.011917 -0.114652 -0.107903 4C 2dx2y2 -0.027632 0.151767 -0.048581 -0.043088 0.011586 -0.016890 4C 2dxy 0.280152 -0.338555 -0.105882 -0.040674 -0.113219 -0.040760 4C 1f0 -0.008897 -0.043364 -0.053023 -0.030571 0.134993 0.098042 4C 1f+1 0.060651 -0.103154 0.025959 0.056100 -0.157074 -0.095406 4C 1f-1 -0.081037 0.092132 0.094091 0.004927 -0.117120 -0.079026 4C 1f+2 0.073763 -0.025613 -0.080452 0.006702 -0.164781 -0.052221 4C 1f-2 0.093010 -0.114888 -0.135230 0.011435 -0.006303 0.062001 4C 1f+3 0.189277 -0.372803 -0.284980 -0.044122 0.181686 0.128391 4C 1f-3 0.142574 -0.206500 -0.246204 0.054008 -0.167505 0.035394 5C 1s 0.000882 0.001302 -0.003406 -0.003817 0.000854 -0.001537 5C 2s 0.004718 0.004293 -0.010301 -0.009640 0.002241 -0.004330 5C 3s -0.093385 0.024991 0.086450 0.039299 0.040643 0.021661 5C 4s 0.221444 -0.399057 0.025877 0.152830 -0.225136 0.023704 5C 5s 0.021665 -0.366946 0.586146 -0.033082 -0.258429 0.061759 5C 1pz 0.019566 0.018241 -0.020221 -0.008073 0.009780 -0.014655 5C 1px 0.019374 -0.015606 -0.057093 0.015543 0.057302 -0.093925 5C 1py -0.040089 -0.023181 0.056296 0.016259 0.016353 -0.002765 5C 2pz 0.114046 0.142368 -0.172182 0.038947 -0.126297 0.125925 5C 2px -0.235902 0.193095 0.885717 0.118994 -0.061354 0.636258 5C 2py -0.055878 -0.286631 -0.066318 -0.121634 -0.095105 -0.053061 5C 3pz 0.091008 -0.534312 -0.146838 0.021742 -0.140178 -0.151923 5C 3px 0.174566 -0.259095 -0.073470 0.007637 -0.102742 -0.134254 5C 3py -0.141308 0.799649 0.289338 -0.097720 0.405771 0.236364 5C 1dz2 -0.000922 -0.033529 -0.022261 0.005477 0.008214 0.008800 5C 1dxz 0.006620 -0.026171 -0.017995 -0.015654 0.026958 -0.029565 5C 1dyz 0.004727 -0.034869 -0.065571 -0.060185 -0.016388 -0.046081 5C 1dx2y2 0.031730 0.009446 -0.016958 0.020174 0.032598 0.009116 5C 1dxy -0.009154 0.019021 0.039852 0.032923 -0.005244 -0.008094 5C 2dz2 -0.112236 0.076465 0.116557 -0.043232 0.002869 0.038915 5C 2dxz 0.041659 -0.008546 -0.085845 -0.104032 0.019672 -0.189573 5C 2dyz 0.010611 0.178498 0.061748 0.047010 0.173746 -0.118753 5C 2dx2y2 0.036778 0.108908 0.038353 -0.047316 0.033372 -0.233733 5C 2dxy -0.028829 -0.033144 -0.135947 0.035736 -0.293567 0.656986 5C 1f0 -0.072738 0.045510 0.195063 0.029926 0.116932 -0.110905 5C 1f+1 0.092324 -0.050068 -0.247227 -0.040232 0.016719 -0.003033 5C 1f-1 0.063118 -0.021272 -0.088133 -0.008751 0.012149 0.056622 5C 1f+2 0.092941 -0.008962 -0.192207 -0.072942 -0.109708 0.029344 5C 1f-2 -0.010975 0.020818 -0.023322 0.010459 0.066450 -0.154505 5C 1f+3 -0.016089 0.001590 -0.044834 -0.028250 0.117053 -0.282077 5C 1f-3 0.035087 0.012865 -0.015524 0.043525 0.055496 -0.058687 6C 1s 0.000599 0.002090 0.003137 0.003852 0.001080 -0.001642 6C 2s 0.003830 0.006779 0.009494 0.009747 0.002866 -0.004672 6C 3s -0.083041 -0.003105 -0.094560 -0.036771 0.040829 0.024932 6C 4s 0.209172 -0.366750 0.065545 -0.174585 -0.252916 0.022543 6C 5s 0.064856 -0.517075 -0.497177 0.006938 -0.277545 0.065821 6C 1pz -0.017598 -0.023554 -0.017030 -0.008352 -0.011227 0.017175 6C 1px -0.014847 0.001590 -0.061264 0.013549 -0.064728 0.095367 6C 1py 0.034867 0.038853 0.053367 0.016886 -0.013730 0.001730 6C 2pz -0.095570 -0.189212 -0.135293 0.038231 0.138014 -0.124386 6C 2px 0.155583 0.030682 0.934058 0.120676 0.113558 -0.641813 6C 2py 0.061295 0.263307 -0.144464 -0.118988 0.068443 0.033162 6C 3pz -0.063766 0.459820 -0.272755 0.041672 0.145230 0.153372 6C 3px -0.153652 0.217616 -0.146102 0.024795 0.113072 0.135400 6C 3py 0.095942 -0.674135 0.479837 -0.131329 -0.418350 -0.239816 6C 1dz2 -0.003996 -0.027354 0.030969 -0.006129 0.012508 0.010263 6C 1dxz 0.001516 -0.019168 0.024242 0.015624 0.029265 -0.029973 6C 1dyz -0.001562 -0.017272 0.074002 0.059827 -0.012731 -0.047202 6C 1dx2y2 0.029984 0.014228 0.015221 -0.019427 0.035894 0.008624 6C 1dxy -0.004992 0.009258 -0.042973 -0.032342 -0.008839 -0.009057 6C 2dz2 -0.096398 0.040779 -0.141324 0.044029 -0.008480 0.033982 6C 2dxz 0.044230 0.003807 0.098351 0.108566 0.039704 -0.178223 6C 2dyz 0.018057 0.155160 -0.099421 -0.038145 0.175276 -0.122411 6C 2dx2y2 0.039443 0.101396 -0.059620 0.051634 0.018905 -0.243994 6C 2dxy -0.052309 0.012212 0.122883 -0.047736 -0.306535 0.662053 6C 1f0 0.050777 0.009631 0.204126 0.027256 -0.111881 0.118733 6C 1f+1 -0.065991 -0.014376 -0.258634 -0.038716 -0.031715 0.000788 6C 1f-1 -0.050513 -0.004786 -0.093934 -0.007633 -0.019829 -0.059240 6C 1f+2 -0.071981 -0.045217 -0.197146 -0.072321 0.100459 -0.033306 6C 1f-2 0.008738 -0.022003 -0.016389 0.009212 -0.061908 0.162299 6C 1f+3 0.017263 -0.008281 -0.046022 -0.031670 -0.123161 0.290856 6C 1f-3 -0.031709 -0.016580 -0.013041 0.042785 -0.058082 0.062673 7C 1s 0.003394 -0.002953 0.005974 -0.003082 -0.001529 0.001685 7C 2s 0.011731 -0.007350 0.016887 -0.007308 -0.004220 0.004772 7C 3s -0.069468 -0.055447 -0.070153 -0.002850 -0.034563 -0.042550 7C 4s -0.231437 0.689400 -0.406153 0.239829 0.317706 0.082359 7C 5s -0.448610 0.792498 -0.392684 -0.155134 0.331699 0.110650 7C 1pz -0.069590 0.052526 -0.071568 -0.014453 -0.011838 -0.032484 7C 1px -0.057560 0.051021 -0.066324 0.041585 0.059077 0.045204 7C 1py -0.057191 0.022399 -0.052712 0.021625 0.075709 0.018853 7C 2pz 0.018423 -0.415286 0.046218 -0.057213 0.019198 -0.007417 7C 2px 0.524224 -0.784313 1.076032 -0.178932 -0.455636 -0.017888 7C 2py 0.157605 -0.353417 0.318591 -0.181815 -0.536203 -0.141097 7C 3pz 0.155837 -0.242827 -0.034684 -0.251696 -0.227529 -0.060733 7C 3px 0.017068 0.116831 0.003201 -0.106670 -0.025147 -0.009345 7C 3py 0.090397 -0.134405 -0.036159 -0.222275 -0.038503 -0.064727 7C 1dz2 -0.026581 0.018141 -0.082261 0.004928 0.024830 -0.016031 7C 1dxz 0.011033 -0.061250 0.064049 -0.009245 -0.010953 -0.017834 7C 1dyz -0.029667 0.065136 -0.051952 0.008749 0.030083 0.014487 7C 1dx2y2 -0.005863 0.050061 -0.073896 0.026593 0.037869 -0.009481 7C 1dxy -0.001273 0.033660 -0.013214 0.020763 -0.013008 -0.024240 7C 2dz2 -0.109306 0.036265 0.188316 -0.063584 0.194692 0.217479 7C 2dxz 0.338980 -0.353302 0.029011 -0.069754 -0.553196 -0.293015 7C 2dyz -0.013469 -0.044440 -0.102508 -0.013413 -0.121426 -0.118985 7C 2dx2y2 -0.034016 0.166675 0.007909 0.047868 0.003994 -0.014488 7C 2dxy 0.282948 -0.311247 0.205389 0.041127 -0.129384 -0.035410 7C 1f0 0.010888 0.033272 -0.058357 -0.032695 -0.149644 -0.107558 7C 1f+1 -0.068343 0.111103 -0.006612 0.060089 0.176095 0.107356 7C 1f-1 0.080665 -0.072612 0.114545 0.006186 0.116659 0.084402 7C 1f+2 -0.064433 -0.000869 -0.087622 0.009903 0.183493 0.060679 7C 1f-2 -0.083116 0.075260 -0.156272 0.012772 0.012304 -0.064025 7C 1f+3 -0.181580 0.307284 -0.366765 -0.044627 -0.182598 -0.137122 7C 1f-3 -0.125123 0.138611 -0.293855 0.057992 0.184215 -0.028858 8C 1s 0.000996 0.001556 0.000041 0.000793 -0.001270 0.000516 8C 2s 0.002224 0.004534 -0.001154 0.001855 -0.002883 0.002064 8C 3s -0.020709 -0.094636 0.067805 0.013478 -0.028253 -0.037965 8C 4s 0.034006 0.360614 -0.333297 -0.165651 0.139396 0.217081 8C 5s 0.021529 -0.469910 0.782622 0.016055 -0.252848 -0.346435 8C 1pz 0.016672 0.027179 0.017719 0.000885 -0.012852 0.031350 8C 1px 0.039982 0.031896 0.056794 0.026740 -0.001208 -0.011861 8C 1py -0.013280 -0.046731 0.019224 -0.000047 -0.021851 0.016283 8C 2pz 0.065794 -0.151521 0.200196 -0.050790 -0.062846 0.038295 8C 2px 0.048189 -0.164370 0.221322 -0.008343 -0.354421 0.812262 8C 2py 0.070989 0.292877 -0.007652 -0.050178 -0.175554 0.564577 8C 3pz 0.003697 0.015284 -0.108375 0.019986 0.096491 0.003472 8C 3px -0.023903 0.010832 -0.187553 -0.011641 0.065724 -0.050962 8C 3py 0.014852 -0.093842 0.130207 -0.014542 0.012888 -0.131654 8C 1dz2 0.014959 0.007150 0.007403 0.013403 0.057413 -0.082572 8C 1dxz 0.047349 -0.026990 0.091882 0.004540 -0.168456 0.371460 8C 1dyz 0.009562 0.025674 -0.058436 -0.001923 0.018071 0.024022 8C 1dx2y2 0.057380 0.020690 0.074456 -0.015446 -0.095033 0.209433 8C 1dxy 0.064923 0.053373 0.131807 0.025521 0.014433 -0.069397 8C 2dz2 -0.070998 -0.050905 -0.078096 0.000431 -0.043635 0.011050 8C 2dxz 0.072478 0.120555 0.167121 0.095158 0.105072 -0.311084 8C 2dyz 0.027354 -0.134544 0.180691 0.028440 0.037871 -0.203964 8C 2dx2y2 -0.045171 -0.088444 -0.027736 0.031078 0.110049 -0.330066 8C 2dxy -0.104275 -0.181856 -0.160486 -0.086042 -0.152378 0.411159 8C 1f0 0.087029 0.074373 0.122077 0.013210 -0.042019 0.117662 8C 1f+1 -0.008123 0.015981 0.009278 -0.008243 0.096061 -0.206136 8C 1f-1 -0.012832 0.013240 -0.052119 -0.019479 0.026051 0.003110 8C 1f+2 -0.053048 -0.004472 -0.140944 -0.063339 0.007664 0.054137 8C 1f-2 0.070454 0.036188 0.164020 0.047382 0.035654 -0.010031 8C 1f+3 -0.024703 -0.081185 -0.032337 -0.066608 -0.090575 0.275971 8C 1f-3 -0.050683 -0.005017 -0.126992 -0.050128 -0.055415 0.157775 9C 1s 0.001007 0.001969 0.000595 -0.000652 0.001826 0.000986 9C 2s 0.001479 0.006584 0.000269 -0.001804 0.005382 0.002814 9C 3s -0.007960 -0.116353 0.043502 -0.004048 -0.041997 -0.027132 9C 4s -0.068875 0.492480 -0.274516 0.151447 0.175278 0.064476 9C 5s 0.021958 -0.259214 0.380375 0.232922 -0.005647 0.070902 9C 1pz 0.017997 0.050419 -0.014760 -0.009705 -0.013806 -0.000122 9C 1px 0.043499 -0.038183 0.056623 -0.007206 -0.035002 0.001386 9C 1py 0.055607 -0.034226 0.067219 0.012551 0.034831 0.029151 9C 2pz -0.007350 -0.163628 -0.228407 -0.075071 -0.620938 -0.368069 9C 2px -0.205038 0.174434 -0.014582 -0.047194 0.352705 0.233684 9C 2py 0.107903 -0.378453 0.446847 0.055192 0.421102 0.291346 9C 3pz -0.020965 0.038608 -0.024503 -0.087409 0.098548 0.020538 9C 3px -0.029468 0.018467 -0.096766 0.031705 0.011582 -0.026095 9C 3py -0.047319 0.106558 -0.129051 -0.042138 -0.106121 -0.037876 9C 1dz2 -0.037858 0.020355 -0.061371 -0.040485 -0.144484 -0.096630 9C 1dxz -0.175131 0.225681 -0.217584 -0.052638 0.016349 0.010782 9C 1dyz -0.049568 -0.025127 -0.030194 0.027386 -0.007513 -0.030182 9C 1dx2y2 -0.034577 0.088787 -0.168855 -0.007387 -0.219587 -0.151850 9C 1dxy -0.008727 -0.054844 0.101289 0.052903 0.313257 0.161017 9C 2dz2 -0.004610 0.099184 0.094843 0.036883 0.333836 0.219237 9C 2dxz 0.383054 -0.416152 0.415494 0.024678 -0.328494 -0.118261 9C 2dyz 0.023661 0.178523 -0.094980 -0.032642 0.012041 -0.000433 9C 2dx2y2 -0.081132 0.050123 -0.072002 -0.016279 0.110966 0.047918 9C 2dxy 0.203606 -0.192066 0.202841 -0.010896 -0.251676 -0.079476 9C 1f0 0.111791 -0.121457 0.090842 0.003798 -0.216360 -0.090409 9C 1f+1 -0.053741 0.003154 -0.015758 0.055167 0.231918 0.109506 9C 1f-1 -0.037301 -0.048828 0.053533 0.013294 0.050840 0.027607 9C 1f+2 -0.021198 0.050419 0.042367 0.006322 0.073556 0.081889 9C 1f-2 -0.180271 0.262632 -0.263577 -0.039404 0.042548 -0.009265 9C 1f+3 -0.189700 0.182230 -0.312724 -0.031225 -0.051935 -0.093630 9C 1f-3 0.030728 -0.030910 0.019208 -0.012688 -0.173226 -0.075738 10H 1s 0.145008 -0.165274 -0.095405 -0.010158 -0.108407 -0.039201 10H 2s 0.027357 -0.121451 -0.252584 0.025711 0.265039 0.197774 10H 3s 0.014682 0.035346 0.107614 -0.018118 -0.109979 -0.093537 10H 1pz 0.010073 -0.016713 -0.093875 0.035537 0.054517 0.066761 10H 1px 0.036909 -0.005819 0.044439 -0.020265 -0.132001 -0.085959 10H 1py 0.049617 -0.109040 -0.113155 -0.016507 0.150482 0.088531 11H 1s -0.045365 0.106476 0.060851 0.025845 -0.039215 -0.025180 11H 2s 0.101257 -0.216934 -0.211607 -0.069070 0.378311 0.185910 11H 3s -0.047926 0.125154 0.104586 0.015047 -0.138425 -0.067062 11H 1pz 0.108849 -0.200265 -0.147180 -0.060607 0.157828 0.084299 11H 1px 0.028459 -0.090482 -0.112794 -0.028207 0.178782 0.094567 11H 1py 0.031707 -0.003256 -0.043937 0.005837 -0.018174 0.029759 12H 1s 0.023117 -0.034885 -0.073132 -0.021809 0.130355 0.077187 12H 2s -0.193027 0.431658 0.444304 0.110874 -0.445895 -0.332768 12H 3s 0.056591 -0.121251 -0.130222 -0.031417 0.210690 0.114549 12H 1pz 0.002823 0.045244 0.066314 0.019537 -0.076433 -0.054210 12H 1px -0.096652 0.163700 0.153726 0.035584 -0.086622 -0.078655 12H 1py -0.079982 0.189491 0.217553 0.051454 -0.315235 -0.205189 13H 1s 0.045732 0.018387 -0.096000 -0.019459 0.035565 -0.135786 13H 2s 0.117140 -0.043651 -0.187941 -0.129582 -0.203986 0.334339 13H 3s -0.039624 0.048728 0.122106 0.063361 0.078399 -0.125319 13H 1pz 0.063045 -0.031607 -0.089914 -0.045427 -0.128899 0.230534 13H 1px 0.011514 0.011376 -0.019304 0.004684 0.032770 -0.065875 13H 1py -0.035541 0.012525 0.069311 0.048108 0.037424 -0.067395 14H 1s 0.034564 0.001659 -0.039861 -0.000119 -0.063326 0.145941 14H 2s -0.194179 0.089259 0.306317 0.026745 0.226936 -0.541856 14H 3s 0.060094 0.016320 -0.105605 -0.001560 -0.123727 0.247777 14H 1pz -0.058689 0.029923 0.057092 0.009434 0.110566 -0.257973 14H 1px -0.113384 0.045691 0.167821 0.002876 0.120911 -0.268713 14H 1py 0.027515 -0.037287 -0.051404 -0.002899 -0.031324 0.103770 15H 1s -0.028108 0.031681 0.047491 -0.010418 0.012250 -0.037367 15H 2s 0.076198 -0.015996 -0.111134 0.030379 -0.178650 0.295727 15H 3s -0.017858 0.022731 0.087189 0.007741 0.075126 -0.079812 15H 1pz 0.017055 0.012451 0.002540 0.005804 0.060298 -0.057850 15H 1px 0.036724 -0.020145 -0.057196 0.006840 -0.051037 0.130796 15H 1py -0.064068 0.016344 0.107178 -0.008648 0.094876 -0.135822 16H 1s 0.344445 0.272416 0.073574 -0.433496 -0.013091 0.059084 16H 2s 0.797019 0.680412 0.214168 -0.861710 -0.014728 0.120992 16H 3s -0.187632 -0.261257 -0.044428 0.256403 -0.026441 -0.108407 16H 1pz 0.640347 0.524799 0.136375 -0.770491 -0.007296 0.090292 16H 1px 0.027457 0.037611 0.010365 -0.047205 0.012812 0.009391 16H 1py 0.219323 0.193093 0.046538 -0.274371 -0.002153 0.059507 17H 1s 0.357770 0.230882 0.055272 -0.462581 0.033449 -0.064482 17H 2s 0.842311 0.584435 0.180736 -0.876448 0.108308 -0.168660 17H 3s -0.272577 -0.109542 -0.061171 0.246641 -0.071356 0.090338 17H 1pz -0.492210 -0.323296 -0.094313 0.575660 -0.057158 0.078576 17H 1px -0.387015 -0.273267 -0.061822 0.461091 -0.036121 0.064563 17H 1py 0.343007 0.221010 0.050873 -0.414246 0.052582 -0.070615 18H 1s 0.359202 0.214519 -0.087181 0.463743 0.022911 -0.065385 18H 2s 0.859316 0.520169 -0.256280 0.880979 0.089893 -0.165609 18H 3s -0.276900 -0.089399 0.067684 -0.247290 -0.065299 0.090612 18H 1pz 0.508254 0.298173 -0.139924 0.588945 0.043892 -0.080283 18H 1px 0.391877 0.251919 -0.099834 0.463664 0.025630 -0.064411 18H 1py -0.331509 -0.194925 0.076168 -0.399545 -0.041653 0.068980 19H 1s 0.349363 0.251051 -0.117473 0.434816 -0.032852 0.058385 19H 2s 0.814364 0.613767 -0.322912 0.861749 -0.048241 0.124835 19H 3s -0.192801 -0.244959 0.094870 -0.258487 -0.017340 -0.108362 19H 1pz -0.645367 -0.477959 0.218950 -0.765312 0.037890 -0.089533 19H 1px -0.024061 -0.030180 0.015524 -0.042115 -0.013354 -0.008493 19H 1py -0.237352 -0.190431 0.084613 -0.292744 0.016032 -0.061387 20H 1s -0.020840 0.015288 -0.056163 0.010593 0.009645 -0.041233 20H 2s 0.062521 0.018846 0.118183 -0.032272 -0.176424 0.313120 20H 3s -0.009344 -0.002156 -0.093875 -0.005772 0.077213 -0.084928 20H 1pz -0.017356 -0.011411 0.003986 0.004959 -0.062518 0.060331 20H 1px -0.028125 0.001720 -0.061190 0.008680 0.049574 -0.136252 20H 1py 0.051633 0.016914 0.114712 -0.008737 -0.091985 0.145111 21H 1s 0.027789 0.016047 0.039115 -0.001155 -0.063761 0.148535 21H 2s -0.146861 -0.009584 -0.327528 -0.020156 0.217137 -0.560214 21H 3s 0.046410 0.044532 0.100474 0.000282 -0.114819 0.256636 21H 1pz 0.046094 -0.007280 0.063720 0.005760 -0.110137 0.266880 21H 1px 0.087688 0.008533 0.179007 -0.000360 -0.114097 0.277342 21H 1py -0.018404 0.019812 -0.058584 -0.001218 0.030026 -0.108198 22H 1s 0.038733 0.042193 0.096486 0.022429 0.041707 -0.138386 22H 2s 0.083816 0.018574 0.193438 0.120972 -0.193782 0.334974 22H 3s -0.025009 0.011010 -0.130279 -0.058416 0.072666 -0.126332 22H 1pz -0.045842 -0.000308 -0.095332 -0.040908 0.124184 -0.233902 22H 1px -0.011942 -0.015198 -0.018738 0.002268 -0.031871 0.066930 22H 1py 0.024660 0.008028 0.069734 0.045689 -0.033649 0.065485 23H 1s 0.021413 -0.020602 0.077979 0.023106 0.135905 0.082740 23H 2s -0.176678 0.328260 -0.525824 -0.114247 -0.469080 -0.356051 23H 3s 0.050268 -0.089092 0.149663 0.032918 0.217209 0.124193 23H 1pz -0.007972 -0.028273 0.069952 0.020078 0.084368 0.058869 23H 1px 0.089497 -0.124416 0.186298 0.035174 0.085970 0.082618 23H 1py 0.074076 -0.142797 0.250897 0.055318 0.334781 0.221658 24H 1s -0.044703 0.092550 -0.085762 -0.025912 -0.043175 -0.029203 24H 2s 0.099772 -0.174658 0.265280 0.072709 0.407213 0.212884 24H 3s -0.044777 0.101477 -0.135208 -0.016996 -0.148283 -0.076434 24H 1pz -0.109088 0.170698 -0.198499 -0.061491 -0.166758 -0.096467 24H 1px -0.024635 0.066391 -0.131176 -0.030513 -0.192828 -0.106011 24H 1py -0.028954 -0.007220 -0.044717 0.005487 0.018200 -0.030479 25H 1s 0.144191 -0.141819 0.143682 0.007082 -0.125738 -0.043490 25H 2s 0.017061 -0.060672 0.257619 -0.024471 0.246333 0.197604 25H 3s 0.018780 0.010342 -0.107674 0.016282 -0.101980 -0.092245 25H 1pz -0.003295 -0.008850 -0.087259 0.035952 -0.043897 -0.063529 25H 1px -0.038105 0.014662 0.034170 -0.018396 0.135187 0.089284 25H 1py -0.048152 0.085041 -0.132428 -0.017830 -0.149990 -0.092226 26O 1s -0.001996 0.011023 0.002268 -0.007896 0.005406 0.005859 26O 2s -0.005815 0.035809 0.005796 -0.026455 0.017431 0.021101 26O 3s 0.004270 -0.202991 0.026972 0.188772 -0.095517 -0.187358 26O 4s 0.073916 0.275441 -0.262039 -0.326546 0.114895 0.479581 26O 5s 0.216718 -1.569852 -0.526961 0.802505 -0.553412 -0.540214 26O 1pz 0.063907 -0.059570 -0.024144 0.011920 -0.092901 -0.031230 26O 1px -0.057760 0.000840 0.013959 0.019493 0.013855 -0.004426 26O 1py 0.030823 -0.094046 -0.014511 0.002586 0.038973 0.023300 26O 2pz -0.229153 0.266800 0.127482 -0.070791 0.376525 0.124934 26O 2px 0.028859 0.266670 0.222777 -0.126948 0.136211 -0.030051 26O 2py -0.193462 0.496939 0.233277 -0.032674 -0.084715 -0.102655 26O 3pz -0.046923 -0.329748 -0.195428 0.215984 -0.152107 -0.064945 26O 3px -0.202921 0.258162 0.014933 -0.188806 0.057390 0.074076 26O 3py -0.080868 -0.091828 -0.017424 0.048586 0.083930 -0.084058 26O 1dz2 -0.000098 -0.008642 -0.004998 0.005781 -0.009709 -0.000181 26O 1dxz -0.007488 0.009299 0.007363 -0.006766 0.011686 0.004288 26O 1dyz -0.005705 -0.003292 -0.003706 0.002652 0.008598 0.002074 26O 1dx2y2 0.003614 -0.003796 -0.004045 -0.004353 0.011631 0.004706 26O 1dxy -0.009992 0.019489 0.011457 -0.003642 -0.003261 -0.003199 26O 2dz2 0.007737 0.003680 0.004636 0.015954 -0.072026 -0.037488 26O 2dxz 0.090054 -0.080683 -0.050592 0.033494 -0.213905 -0.059843 26O 2dyz 0.073945 -0.133883 -0.079389 0.034514 -0.091678 -0.053057 26O 2dx2y2 -0.067119 0.112830 0.048836 0.044358 -0.122984 -0.023251 26O 2dxy 0.109532 -0.250800 -0.170636 -0.011927 0.084638 0.096987 26O 1f0 0.004755 -0.007704 -0.018296 -0.007715 0.031292 0.020474 26O 1f+1 0.034855 -0.044646 -0.047084 -0.002299 -0.013625 0.006684 26O 1f-1 0.002646 0.004153 -0.003750 0.002349 -0.004272 0.000583 26O 1f+2 -0.004571 -0.003455 -0.004049 0.003571 0.008279 0.003398 26O 1f-2 0.022803 -0.022972 -0.012659 -0.000999 -0.021829 -0.014436 26O 1f+3 0.014099 -0.031199 -0.017130 -0.001647 0.012200 0.004802 26O 1f-3 -0.000688 0.006950 0.012930 0.004960 -0.027708 -0.018116 27O 1s -0.002032 -0.001674 -0.001295 0.004015 -0.007017 0.003264 27O 2s -0.007050 -0.006972 -0.006736 0.013480 -0.024708 0.009924 27O 3s 0.048263 0.080202 0.129530 -0.088065 0.199882 -0.038769 27O 4s -0.057121 -0.269225 -0.501317 0.132278 -0.434522 0.041624 27O 5s -0.039418 0.469788 -0.170770 -0.307218 0.673274 -0.111194 27O 1pz 0.034308 0.003322 -0.039984 -0.044845 -0.025757 -0.004840 27O 1px 0.015243 0.035972 0.026920 -0.034859 -0.001268 0.051874 27O 1py -0.036903 -0.033641 0.000733 0.044125 -0.045255 0.087300 27O 2pz -0.117852 -0.005587 0.158067 0.128408 0.108440 -0.010988 27O 2px -0.055236 -0.019975 0.239489 0.173876 0.011092 -0.025146 27O 2py 0.100011 0.077815 -0.092776 -0.124255 0.184841 -0.367475 27O 3pz 0.027106 0.147665 0.043577 -0.086791 0.069224 0.019379 27O 3px 0.093166 0.054059 0.086133 -0.206844 0.011132 -0.008749 27O 3py -0.058581 -0.099269 0.026134 0.216680 -0.148360 0.092989 27O 1dz2 0.003216 -0.002538 -0.002358 0.003773 -0.001789 -0.001981 27O 1dxz -0.005199 0.003220 0.010519 0.002265 0.004864 -0.009119 27O 1dyz 0.002382 0.000948 0.001814 -0.000001 0.002075 -0.000590 27O 1dx2y2 0.002673 0.003403 0.005512 0.000514 -0.002409 0.006459 27O 1dxy 0.001006 -0.002107 -0.005297 0.001163 0.006627 -0.016644 27O 2dz2 -0.007581 0.016936 0.089764 0.044895 0.007474 0.015462 27O 2dxz 0.069959 -0.017700 -0.141666 -0.055187 -0.123668 0.054102 27O 2dyz -0.020531 -0.002243 0.058863 0.020904 0.016126 0.016079 27O 2dx2y2 -0.016903 -0.001499 -0.028122 -0.029926 -0.100522 0.103062 27O 2dxy -0.018613 -0.006760 0.077641 0.022313 -0.088325 0.207718 27O 1f0 -0.005749 0.004745 0.006896 -0.000002 0.006351 -0.014559 27O 1f+1 -0.009035 0.003909 0.006496 -0.002640 0.012980 -0.027383 27O 1f-1 0.010741 -0.001048 -0.019476 -0.003498 -0.003594 0.011033 27O 1f+2 0.006690 -0.005060 -0.016010 -0.004066 -0.005101 0.005940 27O 1f-2 -0.010425 -0.002809 0.020392 0.010874 -0.006455 0.029039 27O 1f+3 0.014781 -0.005049 -0.030823 -0.006591 0.011570 -0.024705 27O 1f-3 -0.005774 0.001980 0.013656 0.001632 0.014439 -0.027423 28O 1s -0.005305 0.004437 0.004149 -0.002543 0.002368 -0.004622 28O 2s -0.018014 0.013936 0.014399 -0.008408 0.007560 -0.016424 28O 3s 0.141013 -0.095330 -0.142931 0.052369 -0.044150 0.145196 28O 4s -0.169053 0.104005 0.414800 -0.041001 -0.058016 -0.384715 28O 5s 0.200448 -0.451786 0.135606 0.103161 -0.304594 0.224272 28O 1pz -0.058779 0.132214 0.039752 0.057076 0.039494 0.026012 28O 1px -0.034943 0.025854 0.027111 -0.014534 0.036511 0.003832 28O 1py -0.070524 0.117234 0.085843 0.020623 0.031155 -0.016602 28O 2pz 0.185103 -0.334153 -0.205538 -0.175162 -0.105359 -0.065565 28O 2px 0.127199 -0.153993 0.052454 0.093465 -0.195156 -0.092911 28O 2py 0.252809 -0.383597 -0.339085 -0.055497 -0.098773 0.072721 28O 3pz -0.146690 0.522505 0.138751 0.248618 0.141556 0.128258 28O 3px 0.029629 -0.267084 0.019641 -0.167461 -0.117780 -0.067767 28O 3py -0.099684 0.163558 0.115078 0.100687 0.083394 0.105903 28O 1dz2 0.003096 -0.004703 0.000288 0.001905 -0.007822 -0.004830 28O 1dxz -0.002601 -0.003249 -0.002569 -0.002544 0.001785 0.003300 28O 1dyz 0.002126 -0.007313 -0.000237 0.002495 -0.001526 -0.002183 28O 1dx2y2 -0.004845 0.006946 0.003122 -0.004361 0.003525 0.000843 28O 1dxy -0.010044 0.008624 0.011846 -0.002507 -0.000621 -0.003390 28O 2dz2 -0.119713 0.157313 0.052899 -0.012196 0.063765 0.049926 28O 2dxz -0.020551 0.085135 0.022662 -0.034791 0.008992 0.017042 28O 2dyz -0.168466 0.195675 0.213145 -0.016400 0.094977 -0.026010 28O 2dx2y2 0.079674 -0.116414 -0.045603 0.025021 -0.116062 -0.061161 28O 2dxy 0.098963 -0.130387 -0.176934 -0.008942 0.002956 0.091196 28O 1f0 -0.025862 0.052609 0.042219 0.008907 -0.022436 -0.015967 28O 1f+1 0.005412 -0.002369 0.007258 0.003430 -0.015516 -0.011697 28O 1f-1 -0.012959 0.025785 0.013910 -0.007651 0.020445 0.007456 28O 1f+2 0.008261 -0.011371 -0.015024 0.004703 -0.020689 -0.007358 28O 1f-2 0.022838 -0.030103 -0.022817 -0.000663 -0.020083 -0.003246 28O 1f+3 0.003777 0.006263 0.000788 0.006956 -0.020564 -0.014436 28O 1f-3 0.005530 -0.006234 -0.015597 -0.002569 0.029923 0.018576 29O 1s -0.030487 -0.021440 -0.000804 0.044271 -0.002590 -0.000264 29O 2s -0.121991 -0.086633 -0.005716 0.174110 -0.009869 -0.000814 29O 3s 1.304375 0.944171 0.105495 -1.811266 0.099162 0.004413 29O 4s -2.837067 -2.103610 -0.238771 4.010128 -0.230440 -0.020544 29O 5s 0.412741 0.402923 -0.340326 -1.482703 0.154534 0.108676 29O 1pz -0.067713 -0.080378 -0.028337 0.080037 0.011104 -0.046223 29O 1px 0.149588 0.121566 0.057683 -0.178062 0.022774 -0.013248 29O 1py -0.213638 -0.147419 -0.045151 0.249741 0.009130 0.013808 29O 2pz 0.299495 0.356066 0.107709 -0.358786 -0.069468 0.238325 29O 2px -0.681341 -0.501872 -0.188864 0.777758 -0.089258 0.086064 29O 2py 0.994452 0.711246 0.193509 -1.179004 0.023122 -0.046718 29O 3pz 0.022118 -0.012444 -0.030533 -0.114252 0.003337 -0.018132 29O 3px -0.005661 -0.044180 0.139772 0.324679 -0.008194 -0.022866 29O 3py -0.017828 0.016327 0.053407 0.127778 0.018807 -0.011874 29O 1dz2 0.023252 0.014197 0.002076 -0.027243 0.004317 -0.002612 29O 1dxz 0.011424 0.009955 -0.000352 -0.010479 0.001418 0.005101 29O 1dyz -0.004699 0.001795 -0.000012 0.004892 -0.005811 0.006516 29O 1dx2y2 0.006176 0.006668 0.001990 -0.019213 -0.001265 0.001183 29O 1dxy -0.004388 -0.003420 -0.001929 0.006463 0.004936 0.004518 29O 2dz2 -0.266553 -0.242627 -0.062950 0.336831 0.018969 -0.074181 29O 2dxz -0.216399 -0.123602 -0.034359 0.272376 -0.033243 0.080779 29O 2dyz -0.074559 -0.086723 -0.027964 0.088634 0.024189 -0.086734 29O 2dx2y2 0.073842 0.075801 0.018883 -0.128209 -0.010604 0.022028 29O 2dxy 0.351645 0.240487 0.059841 -0.419901 0.051063 -0.039988 29O 1f0 -0.050804 -0.039908 -0.007217 0.068655 -0.002305 -0.007956 29O 1f+1 0.021327 0.010539 0.000812 -0.029229 0.007921 -0.010481 29O 1f-1 -0.057247 -0.046258 -0.013856 0.073077 0.005456 -0.008564 29O 1f+2 0.024879 0.020637 0.000242 -0.031589 0.003347 0.007559 29O 1f-2 -0.038406 -0.018606 -0.004696 0.047956 -0.011716 0.015712 29O 1f+3 0.026555 0.018398 0.001607 -0.028270 0.004456 -0.004800 29O 1f-3 0.018552 0.010207 0.005025 -0.028993 -0.008360 -0.012036 30O 1s 0.003520 -0.006162 0.002138 0.003110 0.002916 -0.000817 30O 2s 0.012380 -0.022566 0.007718 0.009686 0.010814 -0.003510 30O 3s -0.092884 0.193539 -0.097840 -0.061859 -0.109545 0.040632 30O 4s 0.226971 -0.399536 0.326388 0.092261 0.345218 -0.243612 30O 5s -0.725377 0.844277 0.349021 -0.259956 -0.042438 0.205484 30O 1pz -0.063795 0.022691 0.071568 0.007341 0.004867 0.010368 30O 1px 0.013238 -0.001600 0.044278 0.035791 -0.001968 0.048650 30O 1py 0.058428 -0.011103 -0.055831 -0.019741 0.002567 -0.072167 30O 2pz 0.229323 -0.080137 -0.346715 -0.004113 -0.049281 0.008342 30O 2px -0.033580 0.004474 -0.025695 -0.110749 0.091080 -0.209413 30O 2py -0.187297 0.025759 0.267597 0.041825 0.023380 0.256817 30O 3pz -0.202752 0.011482 0.148639 0.055458 -0.160771 0.107246 30O 3px -0.128090 0.167584 0.037046 -0.131418 0.027211 0.025371 30O 3py 0.287215 -0.117339 -0.348313 -0.100464 0.010444 -0.212287 30O 1dz2 0.004814 -0.001141 -0.010100 -0.001594 -0.003234 0.003185 30O 1dxz -0.005602 -0.000577 0.002909 -0.005429 -0.001944 -0.005226 30O 1dyz 0.003203 -0.003341 0.000014 -0.002223 -0.000989 0.004372 30O 1dx2y2 -0.001752 0.003162 0.001840 0.003788 -0.003148 0.006323 30O 1dxy 0.002937 0.003693 -0.003840 0.007497 -0.000821 -0.005982 30O 2dz2 -0.044918 0.015960 0.091597 0.000045 -0.029020 -0.030861 30O 2dxz 0.026735 -0.012843 -0.065053 0.016067 -0.075095 0.115278 30O 2dyz 0.091705 -0.006605 -0.149536 -0.020276 0.021509 -0.095963 30O 2dx2y2 0.064339 0.011139 -0.150288 -0.059195 0.003878 -0.135513 30O 2dxy 0.042963 -0.036904 -0.070068 -0.006883 0.033884 0.004331 30O 1f0 0.003828 -0.004896 -0.005656 -0.002399 -0.008447 0.013849 30O 1f+1 0.010327 -0.000965 -0.011844 0.002164 -0.008989 0.029139 30O 1f-1 -0.001550 0.001860 -0.002992 -0.002114 0.019553 -0.040614 30O 1f+2 0.001752 -0.000745 -0.014426 -0.006530 0.014913 -0.032479 30O 1f-2 -0.004403 -0.003775 0.000210 -0.003196 -0.004604 0.003201 30O 1f+3 0.008687 0.001506 -0.005286 0.001812 -0.000450 -0.001730 30O 1f-3 0.016966 -0.012212 -0.043932 -0.017342 -0.008250 -0.003265 31O 1s 0.003566 -0.006066 -0.000704 -0.003306 0.003262 -0.000855 31O 2s 0.012537 -0.022247 -0.002403 -0.010389 0.012121 -0.003603 31O 3s -0.097397 0.199740 0.050358 0.067303 -0.122350 0.040318 31O 4s 0.249813 -0.444845 -0.215093 -0.100169 0.384728 -0.238883 31O 5s -0.658649 0.665654 -0.555895 0.297677 -0.075942 0.215858 31O 1pz 0.055807 -0.001545 0.079343 0.006152 0.000585 -0.010391 31O 1px -0.017388 0.011490 0.042562 0.037065 0.005492 -0.049505 31O 1py -0.051148 -0.008009 -0.061841 -0.019828 -0.004873 0.074818 31O 2pz -0.190658 -0.019251 -0.368483 0.001356 0.035796 -0.007327 31O 2px 0.035528 -0.006251 -0.028731 -0.116827 -0.109695 0.208531 31O 2py 0.158014 0.055428 0.279975 0.041019 -0.020986 -0.267741 31O 3pz 0.183233 0.040104 0.162876 0.055048 0.171990 -0.111142 31O 3px 0.111605 -0.140400 0.073964 -0.139159 -0.009708 -0.026755 31O 3py -0.254529 0.013159 -0.390441 -0.096353 -0.037331 0.211365 31O 1dz2 0.003774 0.001403 0.010341 0.001417 -0.001981 0.003391 31O 1dxz -0.005143 -0.001595 -0.002806 0.005492 -0.001762 -0.005247 31O 1dyz 0.003038 -0.002819 0.000812 0.001950 -0.001259 0.004284 31O 1dx2y2 -0.001182 0.002463 -0.002760 -0.003855 -0.004166 0.006243 31O 1dxy 0.002923 0.004410 0.003060 -0.007394 -0.000649 -0.006002 31O 2dz2 -0.031964 -0.010361 -0.095416 0.000367 -0.033763 -0.032138 31O 2dxz 0.019265 0.005252 0.065820 -0.018739 -0.074673 0.118586 31O 2dyz 0.074674 0.034940 0.153323 0.020514 0.030486 -0.098211 31O 2dx2y2 0.050243 0.049574 0.151415 0.061331 0.014302 -0.137190 31O 2dxy 0.034772 -0.018452 0.080330 0.006914 0.044052 0.008359 31O 1f0 -0.002617 0.002664 -0.006950 -0.002314 0.007883 -0.014891 31O 1f+1 -0.008392 -0.003086 -0.011993 0.002510 0.008424 -0.029707 31O 1f-1 0.001101 -0.001378 -0.002722 -0.002602 -0.020560 0.041857 31O 1f+2 -0.000565 -0.002455 -0.014619 -0.007016 -0.016636 0.033470 31O 1f-2 0.004672 0.003656 -0.000093 -0.003043 0.004650 -0.003164 31O 1f+3 -0.008153 -0.003368 -0.005544 0.001667 0.000558 0.001916 31O 1f-3 -0.011998 -0.000055 -0.046865 -0.017122 0.006163 0.002403 32O 1s -0.030354 -0.021020 0.004192 -0.044404 -0.001034 -0.000057 32O 2s -0.121718 -0.084232 0.019346 -0.174623 -0.003797 -0.000086 32O 3s 1.306346 0.905408 -0.252989 1.816525 0.036628 -0.001573 32O 4s -2.843984 -2.014047 0.571332 -4.021892 -0.091388 -0.007786 32O 5s 0.378014 0.490570 0.243849 1.488105 0.092202 0.089550 32O 1pz 0.065277 0.068635 -0.041743 0.074103 -0.017087 0.046710 32O 1px -0.156167 -0.105300 0.076350 -0.180892 -0.018653 0.012641 32O 1py 0.216509 0.134751 -0.066533 0.250183 -0.017859 -0.012665 32O 2pz -0.283917 -0.308064 0.168322 -0.328498 0.097065 -0.240443 32O 2px 0.705111 0.448693 -0.262784 0.791389 0.070708 -0.083942 32O 2py -1.008264 -0.654547 0.299152 -1.183393 0.017446 0.040673 32O 3pz -0.018828 0.001170 -0.031828 -0.116027 0.001681 0.019056 32O 3px -0.006552 0.078770 0.122829 0.324134 -0.006180 0.018150 32O 3py 0.009677 0.004141 0.053158 0.128742 -0.026608 0.009223 32O 1dz2 0.023736 0.013186 -0.004061 0.027489 0.003672 -0.002846 32O 1dxz 0.011481 0.009397 -0.001291 0.010349 0.001313 0.004980 32O 1dyz -0.003572 0.002532 -0.000998 -0.003535 -0.005924 0.006532 32O 1dx2y2 0.006489 0.005736 -0.003157 0.019140 -0.001633 0.001011 32O 1dxy -0.004207 -0.002531 0.002215 -0.005879 0.005010 0.004565 32O 2dz2 -0.269119 -0.221549 0.102631 -0.335652 0.033243 -0.070121 32O 2dxz -0.222914 -0.115410 0.049656 -0.279533 -0.028666 0.083322 32O 2dyz -0.085997 -0.086386 0.048722 -0.098959 0.033967 -0.088768 32O 2dx2y2 0.073352 0.068185 -0.032148 0.124900 -0.016818 0.024459 32O 2dxy 0.352171 0.219601 -0.093231 0.417967 0.039504 -0.037508 32O 1f0 0.047809 0.035010 -0.012577 0.064313 -0.000023 0.007438 32O 1f+1 -0.023927 -0.011643 0.002565 -0.032819 -0.007601 0.010979 32O 1f-1 0.059946 0.043827 -0.021931 0.075929 -0.008881 0.008601 32O 1f+2 -0.027765 -0.021783 0.004691 -0.035309 -0.001798 -0.007259 32O 1f-2 0.037498 0.016626 -0.006365 0.046879 0.011161 -0.015807 32O 1f+3 -0.025119 -0.017352 0.003999 -0.026784 -0.003524 0.004180 32O 1f-3 -0.018167 -0.008700 0.006001 -0.028203 0.008767 0.012255 33O 1s -0.004944 0.003365 -0.005217 0.002758 0.001942 -0.004505 33O 2s -0.016671 0.010191 -0.017701 0.009144 0.005983 -0.016064 33O 3s 0.126333 -0.057519 0.162735 -0.058084 -0.030835 0.142924 33O 4s -0.120456 -0.007115 -0.412544 0.051181 -0.093100 -0.383872 33O 5s 0.192097 -0.475690 -0.017798 -0.141138 -0.235964 0.219323 33O 1pz 0.062287 -0.122707 0.073395 0.055636 -0.052766 -0.028677 33O 1px 0.034226 -0.020210 0.034831 -0.015700 -0.040367 -0.005239 33O 1py 0.065566 -0.092251 0.113437 0.019274 -0.042949 0.015123 33O 2pz -0.183771 0.281796 -0.285684 -0.171983 0.146517 0.074630 33O 2px -0.140566 0.172272 -0.001279 0.098796 0.209614 0.099782 33O 2py -0.233053 0.288462 -0.427870 -0.051943 0.132669 -0.069915 33O 3pz 0.152180 -0.478185 0.269382 0.240133 -0.193503 -0.137772 33O 3px -0.028234 0.263865 -0.049389 -0.156008 0.110320 0.072699 33O 3py 0.103561 -0.132802 0.159915 0.099109 -0.118708 -0.115054 33O 1dz2 0.003553 -0.005053 0.001267 -0.002084 -0.008208 -0.005026 33O 1dxz -0.002571 -0.002832 0.003117 0.002638 0.001685 0.003303 33O 1dyz 0.001860 -0.006870 0.001972 -0.002606 -0.001606 -0.002159 33O 1dx2y2 -0.004880 0.006094 -0.004966 0.004516 0.004907 0.001252 33O 1dxy -0.009440 0.005592 -0.013726 0.002512 0.000264 -0.003264 33O 2dz2 -0.121619 0.144520 -0.095953 0.014460 0.083196 0.056571 33O 2dxz -0.019707 0.077930 -0.043677 0.035556 0.008773 0.016028 33O 2dyz -0.158098 0.139721 -0.259923 0.018638 0.112639 -0.023329 33O 2dx2y2 0.081505 -0.105940 0.079005 -0.027798 -0.129504 -0.066968 33O 2dxy 0.087260 -0.082739 0.203013 0.007902 -0.001333 0.094401 33O 1f0 0.025134 -0.043452 0.054048 0.009072 0.022712 0.017365 33O 1f+1 -0.006332 0.004284 0.005424 0.003738 0.017080 0.012442 33O 1f-1 0.012152 -0.021785 0.020377 -0.008170 -0.022604 -0.008448 33O 1f+2 -0.007022 0.007003 -0.017792 0.005160 0.023891 0.008475 33O 1f-2 -0.021461 0.023690 -0.030405 -0.000092 0.022609 0.004030 33O 1f+3 -0.003431 -0.006719 0.001490 0.007199 0.023784 0.016097 33O 1f-3 -0.005218 0.003103 -0.015995 -0.002962 -0.031164 -0.020113 34O 1s -0.001951 -0.001019 0.001415 -0.004229 -0.007987 0.003061 34O 2s -0.006971 -0.004123 0.007425 -0.014254 -0.027958 0.009232 34O 3s 0.054235 0.038437 -0.140581 0.094731 0.222233 -0.033063 34O 4s -0.089595 -0.123502 0.545586 -0.149886 -0.471741 0.030190 34O 5s -0.055949 0.458440 0.070122 0.344296 0.782268 -0.088858 34O 1pz -0.031535 -0.011881 -0.041490 -0.044800 0.021858 0.001978 34O 1px -0.016434 -0.027203 0.033874 -0.034348 0.003347 -0.053463 34O 1py 0.036432 0.030519 -0.003860 0.044996 0.048049 -0.088472 34O 2pz 0.104351 0.043796 0.163696 0.128244 -0.095760 0.021257 34O 2px 0.032271 0.073328 0.235412 0.171871 -0.001364 0.029142 34O 2py -0.092607 -0.089537 -0.083878 -0.128477 -0.200014 0.373166 34O 3pz -0.026185 -0.127847 0.074544 -0.090508 -0.082570 -0.020309 34O 3px -0.096595 -0.030919 0.095643 -0.196338 0.018951 0.014770 34O 3py 0.049329 0.090817 0.007060 0.216534 0.173973 -0.088142 34O 1dz2 0.002803 -0.001692 0.003223 -0.003854 -0.001919 -0.002028 34O 1dxz -0.003694 -0.000016 -0.011274 -0.002131 0.003929 -0.009596 34O 1dyz 0.002724 0.000482 -0.001767 0.000013 0.001801 -0.000438 34O 1dx2y2 0.003036 0.002271 -0.006277 -0.000423 -0.002708 0.006325 34O 1dxy 0.000341 -0.000692 0.005986 -0.000999 0.007671 -0.016931 34O 2dz2 -0.000077 -0.004258 -0.093255 -0.044640 0.000526 0.013908 34O 2dxz 0.054364 0.022865 0.148246 0.054062 -0.116801 0.061978 34O 2dyz -0.013102 -0.018592 -0.058588 -0.021592 0.010753 0.014545 34O 2dx2y2 -0.020916 0.008208 0.027195 0.028341 -0.103168 0.105812 34O 2dxy -0.013044 -0.021875 -0.078340 -0.024587 -0.097476 0.212849 34O 1f0 0.004455 -0.002420 0.008117 -0.000205 -0.005486 0.015650 34O 1f+1 0.007381 -0.001216 0.007456 -0.003160 -0.013086 0.028162 34O 1f-1 -0.008401 -0.004501 -0.019796 -0.003337 0.003126 -0.011442 34O 1f+2 -0.004960 0.000571 -0.017457 -0.004074 0.004408 -0.006786 34O 1f-2 0.008834 0.007790 0.020149 0.011266 0.007453 -0.029561 34O 1f+3 -0.011511 -0.002856 -0.032234 -0.006829 -0.014150 0.025098 34O 1f-3 0.003979 0.002322 0.013854 0.001234 -0.013889 0.028222 35O 1s -0.001925 0.010448 -0.004945 0.008173 0.005952 0.006131 35O 2s -0.005639 0.034340 -0.014499 0.027397 0.019198 0.021950 35O 3s 0.006200 -0.210079 0.023017 -0.195165 -0.105051 -0.191071 35O 4s 0.057574 0.342643 0.188635 0.337619 0.129331 0.478252 35O 5s 0.184436 -1.427529 0.888774 -0.852588 -0.608857 -0.572590 35O 1pz -0.061956 0.051068 -0.041608 0.014424 0.099818 0.035168 35O 1px 0.059026 0.001130 0.018368 0.019932 -0.017824 0.003765 35O 1py -0.032502 0.091420 -0.036471 0.002964 -0.039684 -0.024846 35O 2pz 0.220056 -0.225080 0.202212 -0.080740 -0.406211 -0.141485 35O 2px -0.047388 -0.203788 0.272263 -0.134208 -0.142720 0.019009 35O 2py 0.190374 -0.443069 0.349043 -0.036681 0.080051 0.104427 35O 3pz 0.063270 0.273437 -0.258498 0.225835 0.173515 0.070680 35O 3px 0.212545 -0.258028 0.089940 -0.198292 -0.067804 -0.080591 35O 3py 0.079880 0.091380 -0.032573 0.050659 -0.076311 0.086658 35O 1dz2 -0.000519 -0.007143 0.006857 -0.005966 -0.010112 -0.000468 35O 1dxz -0.007253 0.007267 -0.009744 0.007069 0.013544 0.004889 35O 1dyz -0.005861 -0.002597 0.003933 -0.002658 0.009157 0.002230 35O 1dx2y2 0.003693 -0.003017 0.004618 0.004431 0.011276 0.005145 35O 1dxy -0.009943 0.016837 -0.016182 0.003591 -0.003160 -0.003407 35O 2dz2 0.004848 0.006820 -0.005263 -0.016460 -0.077664 -0.038602 35O 2dxz 0.084275 -0.060321 0.074252 -0.037738 -0.233084 -0.070590 35O 2dyz 0.071300 -0.112579 0.113515 -0.037560 -0.105798 -0.058651 35O 2dx2y2 -0.070576 0.106765 -0.076904 -0.046010 -0.129862 -0.030656 35O 2dxy 0.106013 -0.212332 0.226876 0.010704 0.082655 0.100329 35O 1f0 -0.004067 0.003957 -0.019303 -0.008158 -0.033041 -0.022154 35O 1f+1 -0.032375 0.032538 -0.057493 -0.001744 0.016534 -0.006322 35O 1f-1 -0.001995 -0.005435 -0.002551 0.002310 0.004801 -0.000462 35O 1f+2 0.005276 0.002037 -0.003803 0.003538 -0.009941 -0.003926 35O 1f-2 -0.022201 0.019304 -0.019168 -0.000537 0.025001 0.015516 35O 1f+3 -0.014024 0.027417 -0.024381 -0.001633 -0.012777 -0.005533 35O 1f-3 0.000117 -0.004027 0.013349 0.005491 0.030106 0.019918 558 559 560 561 562 563 3.74960 3.75543 3.76112 3.81546 3.81850 3.82770 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s -0.001056 0.001231 0.002114 0.001038 -0.001565 0.000089 0Rh 2s 0.007660 -0.010481 -0.015808 -0.008086 0.012749 -0.000541 0Rh 3s -0.001674 0.001019 0.003070 0.001314 -0.001651 0.000207 0Rh 4s -0.042175 0.057522 0.087137 0.044668 -0.070392 0.003093 0Rh 5s 0.087542 -0.126240 -0.183218 -0.096256 0.153720 -0.006530 0Rh 6s -0.051120 0.106442 0.115912 0.071049 -0.121588 0.003462 0Rh 7s -0.037836 -0.043289 0.182324 0.016108 0.020845 0.052957 0Rh 8s 0.189242 -0.012343 -0.070757 -0.017083 0.157032 0.080549 0Rh 1pz -0.003045 -0.001853 0.002964 -0.005075 0.002974 -0.003131 0Rh 1px 0.002135 0.000169 -0.004677 -0.002350 0.003512 -0.001328 0Rh 1py -0.000750 0.000337 -0.003477 -0.003848 -0.006027 -0.000909 0Rh 2pz 0.011828 0.007204 -0.011663 0.019422 -0.011373 0.012108 0Rh 2px -0.008560 -0.000574 0.018571 0.009192 -0.013681 0.005195 0Rh 2py 0.002915 -0.001359 0.013490 0.014872 0.023167 0.003523 0Rh 3pz -0.026301 -0.015947 0.028691 -0.036401 0.021124 -0.025295 0Rh 3px 0.024551 -0.000392 -0.049188 -0.021440 0.030651 -0.011996 0Rh 3py -0.006387 0.003995 -0.029475 -0.030789 -0.045601 -0.007271 0Rh 4pz 0.013235 0.006241 -0.022612 -0.011363 0.008055 0.004081 0Rh 4px -0.033405 0.006341 0.051440 0.012603 -0.013120 0.005650 0Rh 4py 0.001729 -0.005077 0.011072 0.002766 -0.004595 -0.000457 0Rh 5pz 0.002759 0.016646 0.007561 0.082166 -0.052183 0.028949 0Rh 5px 0.050978 -0.011677 -0.042819 0.005141 -0.016621 0.014435 0Rh 5py 0.006170 0.001811 0.019861 0.045101 0.082605 0.012897 0Rh 6pz 0.072179 -0.215814 -0.065215 -0.070045 0.077871 0.039704 0Rh 6px -0.533367 -0.064460 0.300643 0.048106 -0.137352 -0.258066 0Rh 6py -0.142704 0.069112 -0.074954 -0.056918 -0.048710 0.129972 0Rh 1dz2 -0.043120 0.143687 -0.016127 0.128007 -0.037450 -0.065982 0Rh 1dxz -0.066239 0.033957 0.003997 -0.042022 0.045793 -0.073007 0Rh 1dyz 0.071784 -0.081710 0.044452 -0.044604 0.024900 0.019336 0Rh 1dx2y2 -0.043081 0.077071 -0.023856 0.036240 0.061536 -0.071186 0Rh 1dxy -0.001855 0.029192 -0.040443 -0.053175 -0.090746 -0.043643 0Rh 2dz2 -0.006078 0.022710 -0.002878 0.018420 -0.005015 -0.012558 0Rh 2dxz -0.009663 0.004820 -0.000840 -0.004795 0.006637 -0.010387 0Rh 2dyz 0.013702 -0.011667 0.007424 -0.008487 0.001790 0.000794 0Rh 2dx2y2 -0.006499 0.012084 -0.002128 0.006385 0.007308 -0.011197 0Rh 2dxy 0.001154 0.004945 -0.004522 -0.007116 -0.012652 -0.006902 0Rh 3dz2 0.182653 -0.621900 0.071291 -0.550725 0.159284 0.299243 0Rh 3dxz 0.282758 -0.144764 -0.010239 0.174912 -0.197212 0.314505 0Rh 3dyz -0.322694 0.347827 -0.194769 0.201780 -0.098341 -0.073646 0Rh 3dx2y2 0.184757 -0.333408 0.095756 -0.161692 -0.257283 0.311666 0Rh 3dxy 0.000791 -0.127858 0.166057 0.226364 0.388388 0.191454 0Rh 4dz2 -0.222222 0.810021 -0.093104 0.717687 -0.206194 -0.424809 0Rh 4dxz -0.360284 0.184230 -0.001426 -0.216699 0.257950 -0.412420 0Rh 4dyz 0.463843 -0.442180 0.265315 -0.284937 0.107924 0.068870 0Rh 4dx2y2 -0.233392 0.431786 -0.109159 0.221500 0.321457 -0.419192 0Rh 4dxy 0.022253 0.170160 -0.195472 -0.292257 -0.504955 -0.261915 0Rh 5dz2 -0.018960 -0.549621 0.035301 -0.447936 0.144726 0.436058 0Rh 5dxz 0.208410 -0.105699 0.079188 0.104864 -0.179275 0.264988 0Rh 5dyz -0.750894 0.272655 -0.308554 0.289331 0.044414 0.165346 0Rh 5dx2y2 0.099390 -0.260085 -0.021681 -0.174246 -0.145447 0.322998 0Rh 5dxy -0.217277 -0.126871 0.005813 0.190810 0.343348 0.258988 0Rh 1f0 -0.001491 0.012738 0.003591 -0.013062 0.002533 0.008542 0Rh 1f+1 -0.009545 0.005964 0.000327 -0.002969 0.005122 -0.015741 0Rh 1f-1 -0.001989 -0.007693 0.000962 0.008605 0.003544 -0.002072 0Rh 1f+2 0.007068 -0.003500 0.000567 0.007298 0.005244 0.004721 0Rh 1f-2 -0.001285 0.001726 -0.000985 -0.008499 -0.006495 0.001659 0Rh 1f+3 0.010499 0.012850 0.008210 -0.009185 0.007951 0.012929 0Rh 1f-3 0.001848 -0.004782 -0.004472 -0.007966 -0.007336 0.006963 1Rh 1s 0.001012 0.001331 -0.002141 -0.000990 0.001604 -0.000097 1Rh 2s -0.007285 -0.011235 0.016042 0.007655 -0.013120 0.000601 1Rh 3s 0.001640 0.001156 -0.003090 -0.001290 0.001658 -0.000215 1Rh 4s 0.040120 0.061671 -0.088424 -0.042292 0.072435 -0.003426 1Rh 5s -0.083007 -0.134994 0.186074 0.090907 -0.158406 0.007239 1Rh 6s 0.047044 0.112164 -0.118392 -0.066103 0.126342 -0.003905 1Rh 7s 0.047088 -0.039170 -0.181873 -0.021851 -0.031714 -0.055603 1Rh 8s -0.197383 -0.025785 0.072798 0.016983 -0.157212 -0.079557 1Rh 1pz -0.002716 0.001571 0.002718 -0.005026 0.002994 -0.003069 1Rh 1px 0.002192 0.000007 -0.004756 -0.002355 0.003534 -0.001287 1Rh 1py -0.000543 -0.000423 -0.003374 -0.003741 -0.005907 -0.000902 1Rh 2pz 0.010569 -0.006109 -0.010724 0.019236 -0.011463 0.011842 1Rh 2px -0.008782 -0.000128 0.018878 0.009215 -0.013762 0.005033 1Rh 2py 0.002124 0.001689 0.013094 0.014456 0.022704 0.003493 1Rh 3pz -0.023930 0.013566 0.026922 -0.036101 0.021525 -0.024241 1Rh 3px 0.025027 0.002363 -0.049818 -0.021560 0.030740 -0.011557 1Rh 3py -0.004795 -0.004680 -0.028648 -0.029859 -0.044614 -0.007205 1Rh 4pz 0.013698 -0.005230 -0.022901 -0.011078 0.007022 0.001706 1Rh 4px -0.033577 -0.008803 0.051563 0.012942 -0.012736 0.005155 1Rh 4py 0.001373 0.005099 0.010957 0.002309 -0.004900 -0.000462 1Rh 5pz -0.000874 -0.015888 0.009531 0.081217 -0.050045 0.033448 1Rh 5px 0.050782 0.014875 -0.042505 0.004449 -0.018046 0.014885 1Rh 5py 0.006768 -0.000719 0.018488 0.044960 0.082125 0.012769 1Rh 6pz 0.048975 0.218020 -0.030312 -0.072696 0.073470 0.030064 1Rh 6px -0.536299 0.030633 0.309930 0.049788 -0.128158 -0.256538 1Rh 6py -0.190665 -0.077243 -0.062939 -0.060900 -0.057299 0.127888 1Rh 1dz2 0.026631 0.144668 0.019387 -0.129068 0.036977 0.064515 1Rh 1dxz 0.062448 0.039518 -0.007775 0.041789 -0.044865 0.075216 1Rh 1dyz -0.064772 -0.086516 -0.045207 0.045134 -0.024994 -0.019714 1Rh 1dx2y2 0.031169 0.079210 0.023370 -0.037207 -0.061331 0.072017 1Rh 1dxy 0.006899 0.029821 0.039252 0.053995 0.091510 0.043575 1Rh 2dz2 0.003461 0.022815 0.003397 -0.018588 0.004942 0.012306 1Rh 2dxz 0.009057 0.005584 0.000253 0.004768 -0.006482 0.010736 1Rh 2dyz -0.012757 -0.012612 -0.007505 0.008546 -0.001782 -0.000844 1Rh 2dx2y2 0.004588 0.012422 0.002066 -0.006539 -0.007272 0.011332 1Rh 2dxy -0.000388 0.004938 0.004329 0.007242 0.012788 0.006894 1Rh 3dz2 -0.111296 -0.625895 -0.085426 0.555368 -0.157232 -0.292739 1Rh 3dxz -0.266332 -0.168300 0.026572 -0.173940 0.193110 -0.324187 1Rh 3dyz 0.293123 0.369598 0.197865 -0.203984 0.098642 0.075262 1Rh 3dx2y2 -0.133108 -0.342656 -0.093726 0.165931 0.256375 -0.315317 1Rh 3dxy -0.022431 -0.130041 -0.160871 -0.229930 -0.391804 -0.191177 1Rh 4dz2 0.129452 0.814170 0.111679 -0.723914 0.203512 0.415907 1Rh 4dxz 0.339089 0.213851 -0.020052 0.215551 -0.252341 0.425498 1Rh 4dyz -0.426857 -0.474001 -0.269115 0.287689 -0.108055 -0.070960 1Rh 4dx2y2 0.166133 0.443544 0.106582 -0.227227 -0.320267 0.424137 1Rh 4dxy 0.005845 0.171288 0.188589 0.297040 0.509725 0.261583 1Rh 5dz2 0.080974 -0.539987 -0.049066 0.452430 -0.142975 -0.428735 1Rh 5dxz -0.196028 -0.121245 -0.062255 -0.104938 0.174378 -0.275300 1Rh 5dyz 0.729611 0.327924 0.311653 -0.290750 -0.045166 -0.164322 1Rh 5dx2y2 -0.054959 -0.264503 0.023907 0.178813 0.145091 -0.326875 1Rh 5dxy 0.194706 -0.112920 0.000201 -0.194644 -0.347663 -0.258933 1Rh 1f0 -0.001282 -0.012884 0.002980 -0.013036 0.002484 0.008942 1Rh 1f+1 -0.009948 -0.006810 -0.000588 -0.003000 0.005487 -0.015057 1Rh 1f-1 -0.004032 0.007567 0.001625 0.008331 0.003390 -0.001929 1Rh 1f+2 0.005850 0.003913 0.000786 0.007285 0.004919 0.004214 1Rh 1f-2 -0.000314 -0.001695 -0.000914 -0.008347 -0.006560 0.001430 1Rh 1f+3 0.010714 -0.012324 0.008454 -0.009309 0.008030 0.013236 1Rh 1f-3 0.003356 0.004880 -0.005143 -0.007827 -0.007212 0.007110 2C 1s 0.002699 0.002471 0.000371 0.008177 -0.000630 0.006121 2C 2s 0.006024 0.005713 0.001411 0.024862 -0.001496 0.018412 2C 3s -0.002454 0.018395 -0.027735 -0.333418 -0.018911 -0.211863 2C 4s -0.241594 -0.235652 0.161491 0.791091 0.191959 0.287213 2C 5s 0.367854 0.294169 -0.182965 -0.221811 0.268774 0.140870 2C 1pz -0.042352 -0.015978 0.015775 -0.200536 0.000282 -0.135568 2C 1px -0.071754 -0.009846 0.017542 -0.042333 0.000546 -0.018068 2C 1py -0.036547 0.001185 -0.022256 -0.101433 -0.003223 -0.096926 2C 2pz -0.235298 -0.195046 0.403146 0.696748 -0.046070 0.732291 2C 2px 0.267610 0.189602 -0.299500 -0.293996 0.109042 -0.675576 2C 2py 0.312660 0.270670 -0.314556 0.813966 0.228573 0.005504 2C 3pz 0.089179 0.018022 -0.103514 0.076403 0.056042 0.031648 2C 3px 0.171031 -0.029047 0.036277 0.003708 -0.032494 0.039176 2C 3py 0.088744 0.099351 0.073511 -0.052024 0.054490 0.106295 2C 1dz2 0.108063 0.093452 -0.089430 -0.044417 0.039388 -0.146829 2C 1dxz -0.145689 -0.016994 0.003534 0.177182 0.003822 0.140716 2C 1dyz -0.062824 -0.003116 -0.022918 -0.207521 0.009412 -0.200037 2C 1dx2y2 0.090450 0.109079 -0.166813 0.046392 0.065137 -0.154142 2C 1dxy -0.231842 -0.094511 0.200946 -0.113505 -0.038793 0.147232 2C 2dz2 -0.206967 -0.184815 0.195379 0.391219 -0.095082 0.477629 2C 2dxz 0.596821 0.120234 -0.167259 0.075870 0.023940 -0.131559 2C 2dyz 0.114718 0.104821 -0.012634 0.630982 0.056769 0.349488 2C 2dx2y2 -0.207887 -0.103037 0.049581 -0.277752 -0.052920 -0.166192 2C 2dxy 0.343744 0.070416 -0.135024 0.008736 0.001181 -0.144424 2C 1f0 -0.230488 -0.044777 0.111368 0.069527 -0.052287 0.143362 2C 1f+1 0.264930 0.166709 -0.173725 0.182077 0.041098 -0.029409 2C 1f-1 0.092119 0.065213 -0.027635 0.328899 -0.014426 0.207145 2C 1f+2 0.069128 0.163069 -0.082171 -0.071433 -0.015677 -0.147159 2C 1f-2 0.160188 -0.013135 -0.015149 -0.129842 0.001803 -0.103082 2C 1f+3 0.141481 -0.086481 0.054529 0.086850 -0.019855 0.150475 2C 1f-3 -0.106844 0.012315 0.086273 0.099953 -0.019553 0.145889 3C 1s -0.000817 -0.004378 -0.002677 -0.000650 -0.010380 -0.000359 3C 2s -0.001404 -0.010796 -0.006974 -0.001384 -0.031342 -0.000959 3C 3s -0.042333 0.017039 0.054170 -0.029564 0.391093 -0.010801 3C 4s 0.380368 0.152815 -0.017030 0.272730 -0.775222 0.128422 3C 5s 0.113379 -0.218881 -0.217057 -0.077511 0.083102 0.112913 3C 1pz -0.007121 0.019499 0.004147 -0.011356 0.124599 0.007997 3C 1px 0.037131 0.006790 0.053728 -0.001166 0.080038 -0.005798 3C 1py 0.000664 -0.032013 -0.066726 -0.015466 -0.245627 0.004181 3C 2pz 0.134176 -0.103341 -0.232008 0.057649 -0.979463 0.071591 3C 2px 0.012587 -0.286857 -0.798107 -0.227146 0.201952 0.597483 3C 2py -0.202008 0.049521 -0.196311 -0.215183 0.794405 0.197068 3C 3pz 0.076964 -0.114761 0.011672 0.049393 -0.013971 -0.009768 3C 3px -0.155399 -0.014659 -0.020378 0.093796 -0.043865 -0.024430 3C 3py -0.030709 -0.005215 0.096857 0.071595 0.085745 -0.077245 3C 1dz2 -0.043325 0.020770 -0.090823 -0.043998 -0.015228 0.044638 3C 1dxz 0.008298 0.101562 0.322900 0.115435 -0.077062 -0.228264 3C 1dyz 0.005767 0.010954 -0.010392 -0.003065 -0.352203 -0.044808 3C 1dx2y2 0.039415 0.032800 0.180598 0.043881 -0.028232 -0.102925 3C 1dxy -0.109612 -0.035702 -0.119232 0.009249 0.026168 0.040732 3C 2dz2 0.086730 -0.055261 0.066985 0.049456 -0.013337 -0.001140 3C 2dxz -0.133786 -0.121836 -0.405180 -0.032596 -0.196545 0.140004 3C 2dyz -0.151375 0.093649 -0.049684 -0.046416 0.714435 0.067790 3C 2dx2y2 -0.094471 -0.022356 -0.163282 -0.044205 0.600122 0.159209 3C 2dxy 0.211778 0.163896 0.564132 0.066778 0.217284 -0.246082 3C 1f0 0.051711 -0.018825 -0.009462 -0.013816 0.264140 0.058364 3C 1f+1 0.051430 0.026251 0.191258 0.046903 -0.042022 -0.079745 3C 1f-1 -0.012773 -0.017899 0.007673 -0.023752 0.182161 0.011337 3C 1f+2 -0.067470 -0.016458 -0.098430 -0.014444 0.106511 0.039541 3C 1f-2 0.072028 -0.097915 0.095562 -0.020126 0.078123 -0.028284 3C 1f+3 -0.076926 -0.160848 -0.342480 -0.083614 -0.223504 0.125048 3C 1f-3 -0.096826 0.041999 -0.123573 0.001995 0.328993 0.083496 4C 1s 0.006951 0.002370 -0.001223 0.012457 -0.001018 0.011159 4C 2s 0.020567 0.006378 -0.002994 0.036452 -0.002683 0.031852 4C 3s -0.113731 -0.074848 0.001960 -0.211114 -0.009480 -0.177270 4C 4s -0.349418 0.091925 0.111523 -0.550186 0.150368 -0.458203 4C 5s -0.452803 0.107387 0.179800 0.094535 -0.042272 -0.005738 4C 1pz 0.082234 0.020827 0.008603 0.189165 -0.030712 0.188203 4C 1px 0.107836 0.021541 -0.029004 -0.018669 0.007820 -0.049654 4C 1py 0.123021 0.005815 -0.036087 0.137731 0.003171 0.092717 4C 2pz 0.076183 -0.056150 -0.034657 0.550147 0.270034 0.058354 4C 2px -0.872847 -0.167153 0.346535 0.419938 -0.081468 0.242762 4C 2py -0.481050 0.011747 0.270499 0.300325 -0.020256 0.127746 4C 3pz 0.123386 0.351129 0.016981 -0.466609 0.242633 -0.167909 4C 3px 0.005503 0.097748 -0.018112 -0.024415 -0.012762 0.004582 4C 3py 0.053338 0.028350 -0.038744 -0.284893 0.099117 -0.113921 4C 1dz2 -0.081404 0.084630 -0.000174 -0.037166 0.021449 -0.066768 4C 1dxz 0.091039 0.043390 -0.000937 -0.090559 0.006018 -0.073295 4C 1dyz -0.078874 -0.081078 0.032919 -0.117602 0.002463 -0.077489 4C 1dx2y2 -0.021499 0.045141 0.017033 0.035134 0.005409 0.028028 4C 1dxy 0.019936 0.000330 -0.023419 -0.004526 0.010588 -0.103203 4C 2dz2 -0.204286 -0.302611 0.130011 -0.205879 -0.135020 0.307693 4C 2dxz 0.391793 0.104862 -0.298004 -0.118814 -0.043018 -0.437972 4C 2dyz 0.052290 0.182501 -0.145498 -0.099807 -0.006359 -0.120274 4C 2dx2y2 0.035682 -0.043211 -0.041823 0.204972 0.077621 -0.079974 4C 2dxy 0.260266 0.069483 0.057467 -0.219957 0.004515 -0.103631 4C 1f0 -0.116535 -0.125168 0.133538 -0.096779 -0.014311 0.116418 4C 1f+1 0.192210 0.159965 -0.128635 0.114146 -0.015314 -0.047462 4C 1f-1 -0.018000 0.023151 -0.113350 -0.112941 0.050813 -0.220143 4C 1f+2 0.192704 -0.008895 -0.121582 0.060844 0.076519 -0.062847 4C 1f-2 0.048147 -0.186242 0.108212 -0.039911 -0.009375 0.105147 4C 1f+3 0.061870 0.024577 0.128347 -0.223427 -0.056195 0.057898 4C 1f-3 0.233947 -0.112371 -0.069895 -0.016786 0.019141 0.061100 5C 1s -0.003334 -0.002663 -0.005649 -0.002269 -0.016859 -0.000755 5C 2s -0.009200 -0.008072 -0.016640 -0.005963 -0.049039 -0.001692 5C 3s 0.008681 0.125568 0.102933 0.026103 0.284460 -0.021306 5C 4s 0.326574 -0.215618 0.202257 0.086452 0.718709 0.160270 5C 5s 0.194793 -0.157947 0.196970 0.078251 -0.035623 -0.102423 5C 1pz -0.018997 0.003449 -0.048562 -0.014936 -0.192496 -0.004411 5C 1px -0.088492 -0.025036 -0.132124 -0.024004 -0.042436 0.048744 5C 1py 0.039159 0.033314 0.056454 0.026042 0.250243 0.024305 5C 2pz 0.131239 -0.129739 -0.090233 0.081514 -0.066700 -0.000133 5C 2px 0.546074 -0.133341 0.794445 0.149125 -0.449445 -0.051572 5C 2py -0.305032 0.021642 0.230058 -0.203912 0.544453 -0.189639 5C 3pz 0.061224 0.008500 0.001135 -0.001559 0.293640 0.095451 5C 3px 0.107406 -0.076266 -0.012315 -0.052195 0.126971 0.005965 5C 3py -0.179186 0.325777 0.009664 -0.072217 -0.458768 -0.127292 5C 1dz2 -0.039187 0.078857 0.016736 0.002379 -0.039955 -0.054236 5C 1dxz -0.026085 0.039279 -0.033623 -0.029751 0.075483 0.053128 5C 1dyz -0.053021 -0.064837 -0.084376 -0.023874 -0.104922 0.014779 5C 1dx2y2 -0.037689 0.045992 -0.041281 -0.008917 -0.086944 0.024561 5C 1dxy 0.045105 -0.004445 0.021192 -0.034407 -0.126681 -0.020718 5C 2dz2 0.111718 -0.068653 0.028602 -0.050670 -0.072723 0.018397 5C 2dxz -0.258959 -0.051758 -0.052529 0.028231 0.196713 -0.057738 5C 2dyz -0.042417 0.041290 -0.168416 -0.006914 -0.032175 0.129019 5C 2dx2y2 0.087795 -0.291515 -0.296850 0.061262 -0.051747 0.254063 5C 2dxy 0.232806 0.159417 0.476213 0.273491 -0.312970 -0.381128 5C 1f0 0.034846 -0.040100 -0.088333 -0.092327 -0.228038 0.098691 5C 1f+1 -0.138395 0.176973 -0.071436 0.050382 -0.065697 -0.082065 5C 1f-1 -0.070592 0.128454 0.033775 0.084102 -0.111726 -0.051581 5C 1f+2 -0.111834 -0.104339 -0.044714 0.017870 -0.078991 -0.084204 5C 1f-2 0.043787 -0.012087 -0.200125 -0.052063 0.006028 0.120224 5C 1f+3 -0.091475 -0.027024 -0.287020 -0.106491 0.047475 0.128462 5C 1f-3 -0.015710 0.033524 -0.078135 0.015860 -0.025832 0.049640 6C 1s 0.003658 -0.002344 0.005686 0.002282 0.017033 0.000698 6C 2s 0.010180 -0.007209 0.016733 0.005990 0.049506 0.001535 6C 3s -0.024038 0.124411 -0.102221 -0.026667 -0.286456 0.021234 6C 4s -0.302328 -0.246232 -0.211113 -0.085403 -0.722951 -0.150083 6C 5s -0.172159 -0.164103 -0.208271 -0.072860 0.041768 0.112576 6C 1pz -0.019375 -0.004860 -0.049548 -0.015037 -0.193515 -0.003247 6C 1px -0.088044 0.018847 -0.128622 -0.023509 -0.040911 0.049840 6C 1py 0.045163 -0.030160 0.057421 0.026160 0.252256 0.023371 6C 2pz 0.111799 0.140748 -0.086841 0.078906 -0.065779 -0.001978 6C 2px 0.550842 0.168847 0.776778 0.148501 -0.458298 -0.060216 6C 2py -0.313176 -0.047501 0.227026 -0.200886 0.540715 -0.190903 6C 3pz 0.055800 0.004483 0.011173 -0.005906 0.298943 0.091199 6C 3px 0.091845 0.087220 -0.004504 -0.054925 0.131647 0.006833 6C 3py -0.127285 -0.349596 -0.008704 -0.063717 -0.467651 -0.121309 6C 1dz2 0.032444 0.082383 -0.015845 -0.002896 0.041237 0.055015 6C 1dxz 0.021364 0.041873 0.032766 0.029759 -0.075799 -0.053067 6C 1dyz 0.061669 -0.060855 0.083747 0.024648 0.105740 -0.016246 6C 1dx2y2 0.030991 0.049336 0.041658 0.008199 0.086781 -0.025352 6C 1dxy -0.043763 -0.007544 -0.020835 0.034237 0.128047 0.021012 6C 2dz2 -0.107263 -0.079104 -0.023156 0.051726 0.074004 -0.022527 6C 2dxz 0.266433 -0.032418 0.044512 -0.031357 -0.198813 0.059412 6C 2dyz 0.028099 0.046240 0.162044 0.004953 0.029430 -0.129225 6C 2dx2y2 -0.062998 -0.300442 0.282617 -0.059845 0.045980 -0.253837 6C 2dxy -0.233106 0.140105 -0.454381 -0.268105 0.321614 0.385746 6C 1f0 0.039416 0.042053 -0.087959 -0.091838 -0.229217 0.101525 6C 1f+1 -0.125923 -0.188136 -0.072069 0.050892 -0.066007 -0.082501 6C 1f-1 -0.059231 -0.133844 0.031442 0.084894 -0.112518 -0.053160 6C 1f+2 -0.131109 0.096229 -0.044436 0.016641 -0.081308 -0.085048 6C 1f-2 0.045632 0.016154 -0.195179 -0.051760 0.009827 0.123682 6C 1f+3 -0.090271 0.021885 -0.280809 -0.106370 0.048689 0.132746 6C 1f-3 -0.009217 -0.034689 -0.076943 0.015624 -0.025287 0.050294 7C 1s -0.007283 0.001686 0.001298 -0.012552 0.000653 -0.011145 7C 2s -0.021480 0.004345 0.003207 -0.036725 0.001659 -0.031816 7C 3s 0.125147 -0.058893 -0.005170 0.213234 0.014645 0.179128 7C 4s 0.334502 0.105787 -0.102948 0.551263 -0.136401 0.447279 7C 5s 0.435344 0.137331 -0.171691 -0.098751 0.046992 -0.002172 7C 1pz 0.089499 -0.013389 0.006898 0.191144 -0.025501 0.187502 7C 1px 0.102177 -0.012409 -0.024807 -0.021028 0.007341 -0.048459 7C 1py 0.118733 0.004538 -0.035131 0.138139 0.007021 0.091794 7C 2pz 0.054311 0.075053 -0.034377 0.545901 0.254839 0.056049 7C 2px -0.855638 0.104221 0.337566 0.423395 -0.086712 0.228893 7C 2py -0.444105 -0.038594 0.264666 0.306152 -0.036726 0.131496 7C 3pz 0.164781 -0.332402 -0.003203 -0.457461 0.237932 -0.158703 7C 3px 0.017323 -0.094050 -0.019458 -0.021080 -0.013533 0.007980 7C 3py 0.057308 -0.019731 -0.050454 -0.281267 0.097155 -0.107835 7C 1dz2 0.072881 0.092184 0.000850 0.035374 -0.019645 0.067329 7C 1dxz -0.094138 0.037287 0.000577 0.090754 -0.005278 0.071629 7C 1dyz 0.085510 -0.074000 -0.033278 0.119515 0.001746 0.077815 7C 1dx2y2 0.016084 0.046917 -0.017162 -0.036310 -0.005231 -0.027608 7C 1dxy -0.016086 -0.001239 0.021943 0.005267 -0.009416 0.102404 7C 2dz2 0.202487 -0.281069 -0.117442 0.201579 0.127126 -0.306763 7C 2dxz -0.347150 0.070698 0.270124 0.130928 0.041959 0.430730 7C 2dyz -0.056821 0.181742 0.143174 0.097435 -0.001797 0.119887 7C 2dx2y2 -0.026266 -0.057184 0.040502 -0.205527 -0.069625 0.076087 7C 2dxy -0.254266 0.041799 -0.067324 0.231392 0.001154 0.095773 7C 1f0 -0.112636 0.115715 0.130484 -0.099499 -0.014532 0.117690 7C 1f+1 0.193970 -0.149512 -0.125919 0.118440 -0.010180 -0.049642 7C 1f-1 -0.030872 -0.025820 -0.108993 -0.114697 0.048065 -0.219720 7C 1f+2 0.174458 0.025475 -0.118362 0.060398 0.077316 -0.062415 7C 1f-2 0.036378 0.190035 0.105069 -0.040602 -0.009010 0.103735 7C 1f+3 0.084183 -0.020972 0.124184 -0.223752 -0.058927 0.063010 7C 1f-3 0.212410 0.130243 -0.067547 -0.021024 0.022900 0.061948 8C 1s 0.001325 -0.004229 0.002690 0.000682 0.010442 0.000304 8C 2s 0.002615 -0.010466 0.007017 0.001463 0.031528 0.000814 8C 3s 0.043525 0.020253 -0.054553 0.028772 -0.392806 0.011192 8C 4s -0.412308 0.117985 0.017733 -0.269385 0.775327 -0.125255 8C 5s -0.075680 -0.242007 0.203741 0.084231 -0.091144 -0.112328 8C 1pz -0.004486 -0.019737 0.004659 -0.011417 0.125325 0.008079 8C 1px 0.039106 -0.004007 0.053431 -0.000961 0.080479 -0.006427 8C 1py -0.001358 0.031836 -0.066923 -0.015833 -0.246615 0.005164 8C 2pz 0.131062 0.118631 -0.239458 0.051612 -0.982820 0.080151 8C 2px 0.006121 0.286656 -0.762404 -0.221435 0.223207 0.604669 8C 2py -0.190872 -0.059657 -0.183431 -0.211428 0.805369 0.201968 8C 3pz 0.059242 0.121468 0.014344 0.048976 -0.012952 -0.011834 8C 3px -0.161569 0.005229 -0.023055 0.091411 -0.045491 -0.024556 8C 3py -0.031129 -0.001355 0.093130 0.072740 0.082800 -0.078906 8C 1dz2 0.039300 0.024666 0.085631 0.042155 0.016235 -0.043062 8C 1dxz -0.009062 0.101002 -0.311995 -0.114333 0.081694 0.232380 8C 1dyz -0.007647 0.009542 0.013517 0.003788 0.355840 0.044306 8C 1dx2y2 -0.037341 0.030496 -0.173851 -0.043473 0.030094 0.104185 8C 1dxy 0.114279 -0.027567 0.115030 -0.010034 -0.029463 -0.040860 8C 2dz2 -0.080243 -0.064155 -0.062559 -0.048165 0.013711 -0.000228 8C 2dxz 0.145254 -0.112075 0.394920 0.032945 0.194577 -0.142670 8C 2dyz 0.144085 0.104109 0.041113 0.044197 -0.719649 -0.065694 8C 2dx2y2 0.090724 -0.016845 0.151174 0.042380 -0.606972 -0.160475 8C 2dxy -0.224943 0.148044 -0.549410 -0.065387 -0.212462 0.250962 8C 1f0 0.055589 0.023835 -0.003669 -0.013951 0.266696 0.058224 8C 1f+1 0.049071 -0.021521 0.184729 0.046328 -0.047554 -0.082494 8C 1f-1 -0.016363 0.018013 0.008415 -0.024555 0.183226 0.011451 8C 1f+2 -0.072192 0.008758 -0.096358 -0.014341 0.109421 0.041031 8C 1f-2 0.063269 0.104624 0.092715 -0.021423 0.074547 -0.028437 8C 1f+3 -0.089787 0.156401 -0.335291 -0.084665 -0.224688 0.129373 8C 1f-3 -0.093015 -0.046383 -0.117955 0.003205 0.331320 0.083649 9C 1s -0.003114 0.002018 -0.000301 -0.008274 0.000463 -0.006125 9C 2s -0.007045 0.004622 -0.001233 -0.025120 0.001062 -0.018388 9C 3s 0.002654 0.021372 0.027237 0.334797 0.018961 0.209931 9C 4s 0.261715 -0.218282 -0.161499 -0.790030 -0.169094 -0.279437 9C 5s -0.399815 0.254797 0.202675 0.213447 -0.275768 -0.148768 9C 1pz -0.043228 0.010655 0.016167 -0.201215 -0.002256 -0.133971 9C 1px -0.070788 0.004462 0.017803 -0.042460 -0.000569 -0.018162 9C 1py -0.040564 -0.005714 -0.021537 -0.102885 -0.004579 -0.097810 9C 2pz -0.189395 0.191518 0.384793 0.707353 -0.053334 0.733957 9C 2px 0.228604 -0.149021 -0.261194 -0.322704 0.091599 -0.653518 9C 2py 0.283473 -0.241102 -0.306088 0.811357 0.232626 -0.010991 9C 3pz 0.082857 -0.007939 -0.104912 0.077129 0.056876 0.031549 9C 3px 0.171028 0.040513 0.030080 0.008603 -0.028947 0.035006 9C 3py 0.109617 -0.089646 0.069106 -0.050056 0.054032 0.109461 9C 1dz2 -0.099993 0.085560 0.084971 0.046740 -0.038913 0.147597 9C 1dxz 0.143371 -0.000763 0.004209 -0.184997 -0.008061 -0.134885 9C 1dyz 0.066401 0.001040 0.020468 0.208886 -0.004939 0.196928 9C 1dx2y2 -0.078134 0.101386 0.162397 -0.046680 -0.065621 0.155971 9C 1dxy 0.207051 -0.074133 -0.188275 0.110860 0.039381 -0.143998 9C 2dz2 0.187344 -0.174482 -0.183334 -0.393774 0.093392 -0.473416 9C 2dxz -0.579458 0.065688 0.151555 -0.066558 -0.023543 0.123621 9C 2dyz -0.124750 0.088073 0.014171 -0.636141 -0.062285 -0.346304 9C 2dx2y2 0.212426 -0.085414 -0.050950 0.282477 0.056848 0.163314 9C 2dxy -0.323664 0.037845 0.122337 -0.001411 0.000826 0.138912 9C 1f0 -0.214572 0.027547 0.104883 0.069090 -0.052663 0.138489 9C 1f+1 0.254005 -0.142496 -0.168506 0.181077 0.045050 -0.029888 9C 1f-1 0.095711 -0.058351 -0.027959 0.334325 -0.009833 0.205135 9C 1f+2 0.077241 -0.159125 -0.080175 -0.067600 -0.016310 -0.144302 9C 1f-2 0.159715 0.020418 -0.012879 -0.132017 -0.001036 -0.098584 9C 1f+3 0.147221 0.104760 0.051487 0.082088 -0.016193 0.150313 9C 1f-3 -0.084904 -0.018265 0.081794 0.107269 -0.018297 0.150861 10H 1s 0.208956 0.055894 -0.062000 0.059255 -0.003221 0.010879 10H 2s 0.073347 -0.045641 0.207923 0.336099 -0.083336 0.519282 10H 3s -0.044866 0.025106 -0.071969 -0.064982 0.024550 -0.200107 10H 1pz 0.052365 -0.011047 0.043698 0.186379 -0.022238 0.223249 10H 1px 0.060194 0.037789 -0.107597 -0.075735 0.043904 -0.174766 10H 1py -0.022423 -0.031355 0.099827 0.041772 -0.033287 0.149190 11H 1s 0.015783 0.067048 -0.050235 0.129886 0.022503 0.056834 11H 2s -0.191178 -0.079981 0.243204 -0.368270 -0.117622 -0.054342 11H 3s 0.064254 -0.014919 -0.081585 0.149160 -0.003217 -0.035468 11H 1pz -0.032723 -0.049609 0.107776 -0.157218 -0.052902 0.000547 11H 1px -0.102185 -0.067476 0.114213 -0.144472 -0.028548 0.010978 11H 1py 0.029557 -0.088310 0.012396 0.091002 -0.010044 0.101966 12H 1s -0.065052 -0.058982 0.071495 0.061272 -0.025020 0.125672 12H 2s 0.223252 0.322050 -0.382134 0.190369 0.133125 -0.405955 12H 3s -0.053149 -0.090019 0.206322 -0.088556 -0.069158 0.159184 12H 1pz 0.081828 0.102656 -0.060595 0.116640 0.009954 0.024497 12H 1px 0.009783 0.104481 -0.094344 0.076707 0.024801 -0.078780 12H 1py 0.186049 0.175565 -0.248650 0.098468 0.076576 -0.229230 13H 1s -0.085050 -0.050422 -0.171762 -0.026297 -0.065681 0.037432 13H 2s -0.076567 0.006652 0.158995 0.112438 -0.512030 -0.258784 13H 3s 0.060336 -0.032148 -0.062052 -0.051275 0.151939 0.105643 13H 1pz -0.026711 0.022220 0.156125 0.066222 -0.204176 -0.150417 13H 1px 0.007245 -0.016921 -0.058073 -0.029103 0.086622 0.071166 13H 1py 0.028094 0.000347 0.002253 -0.014187 0.229701 0.062719 14H 1s 0.022210 0.020790 0.095666 0.010294 -0.125767 -0.059255 14H 2s 0.030732 -0.262836 -0.494675 -0.202038 0.016730 0.374286 14H 3s -0.064732 0.051804 0.199384 0.140016 -0.014486 -0.161227 14H 1pz -0.015864 -0.081131 -0.238920 -0.079319 0.020117 0.146453 14H 1px 0.029331 -0.123905 -0.235974 -0.110575 0.008859 0.178608 14H 1py 0.005822 0.089971 0.103311 0.034836 0.113074 -0.041741 15H 1s 0.024898 -0.060023 -0.053264 -0.015072 -0.132535 0.018360 15H 2s -0.000587 -0.066437 0.252429 0.053479 0.319647 -0.143128 15H 3s -0.032275 0.048872 -0.074071 -0.040713 -0.091194 0.074839 15H 1pz -0.035125 0.064334 -0.066077 -0.020646 -0.152632 0.015519 15H 1px -0.002902 0.054776 0.097218 0.033969 -0.000348 -0.059656 15H 1py 0.021844 0.014102 -0.110972 -0.029585 -0.142583 0.065597 16H 1s 0.153687 0.026965 0.047736 0.035912 -0.115589 -0.000608 16H 2s 0.147316 0.115794 0.034345 0.076222 -0.223150 -0.083615 16H 3s -0.063963 -0.037556 -0.023373 -0.057485 0.054915 -0.012158 16H 1pz 0.182961 0.075456 0.039718 0.058486 -0.170189 -0.028526 16H 1px -0.005066 0.008190 0.003772 0.010365 0.006960 0.002765 16H 1py 0.098972 0.012200 0.029069 0.031700 -0.073412 0.009872 17H 1s 0.009126 -0.018498 -0.013972 -0.067448 0.070976 0.033270 17H 2s -0.019960 0.069389 -0.032171 -0.078168 0.069234 -0.108955 17H 3s -0.006172 0.033856 -0.017758 0.051049 -0.079054 0.008818 17H 1pz -0.022473 -0.017240 0.004791 0.048298 -0.043355 0.023291 17H 1px -0.011197 -0.021947 0.021183 0.044950 -0.045545 0.013503 17H 1py 0.013052 -0.013952 -0.010140 -0.056979 0.073904 0.010847 18H 1s -0.006260 -0.012511 0.010520 0.066369 -0.066966 -0.022860 18H 2s 0.020572 0.087378 0.029307 0.074109 -0.064366 0.127555 18H 3s 0.004711 0.029173 0.021367 -0.050959 0.077016 -0.015254 18H 1pz -0.022280 0.023074 0.002387 0.048958 -0.041900 0.031900 18H 1px -0.009599 0.028903 0.019509 0.043122 -0.042879 0.023105 18H 1py 0.009841 0.008284 -0.007258 -0.053890 0.069702 0.001551 19H 1s -0.152812 0.015903 -0.044624 -0.034278 0.112786 -0.009581 19H 2s -0.154075 0.100822 -0.027526 -0.068272 0.216585 0.062265 19H 3s 0.069955 -0.030179 0.017991 0.057069 -0.051508 0.018666 19H 1pz 0.183808 -0.061088 0.034378 0.053474 -0.164239 -0.013797 19H 1px -0.005334 -0.009159 0.002659 0.010903 0.008164 0.001168 19H 1py 0.103715 -0.004873 0.027221 0.030787 -0.074307 0.017767 20H 1s -0.020350 -0.061738 0.053119 0.016006 0.133407 -0.019679 20H 2s 0.016387 -0.059503 -0.249199 -0.054940 -0.319792 0.147392 20H 3s 0.023175 0.050083 0.074140 0.040974 0.091211 -0.077814 20H 1pz -0.026522 -0.065993 -0.065085 -0.019999 -0.153725 0.015628 20H 1px -0.000424 -0.056094 0.094545 0.034513 -0.000053 -0.061173 20H 1py 0.029555 -0.009590 -0.109505 -0.030596 -0.142459 0.068026 21H 1s -0.020585 0.020054 -0.090472 -0.010178 0.127181 0.059753 21H 2s -0.020708 -0.264207 0.476676 0.200294 -0.026791 -0.383015 21H 3s 0.067313 0.056983 -0.191440 -0.139028 0.018342 0.164388 21H 1pz -0.017787 0.080154 -0.231613 -0.078761 0.024220 0.150490 21H 1px 0.025741 0.125926 -0.226572 -0.109646 0.012714 0.181911 21H 1py 0.012762 -0.090207 0.100848 0.035115 0.112657 -0.043362 22H 1s 0.090728 -0.043998 0.167590 0.025941 0.064907 -0.038627 22H 2s 0.090416 0.013009 -0.142789 -0.107432 0.524342 0.259344 22H 3s -0.061772 -0.035050 0.055268 0.049018 -0.156303 -0.105676 22H 1pz -0.032525 -0.024222 0.146518 0.063992 -0.208497 -0.151018 22H 1px 0.007222 0.017703 -0.055538 -0.028283 0.090154 0.072165 22H 1py 0.031661 0.002071 0.006722 -0.012513 0.234289 0.062150 23H 1s 0.054871 -0.055661 -0.067067 -0.061687 0.023673 -0.125504 23H 2s -0.192425 0.298073 0.365468 -0.183974 -0.136540 0.410302 23H 3s 0.036085 -0.083737 -0.199807 0.086255 0.070763 -0.159256 23H 1pz 0.082765 -0.095765 -0.058189 0.117395 0.012300 0.023298 23H 1px 0.005450 -0.102542 -0.089722 0.076115 0.025257 -0.077855 23H 1py 0.163370 -0.158566 -0.238460 0.095507 0.078630 -0.231629 24H 1s -0.017149 0.065017 0.051063 -0.132269 -0.025033 -0.055760 24H 2s 0.161867 -0.078101 -0.243262 0.373431 0.126286 0.040356 24H 3s -0.049649 -0.016016 0.080722 -0.152185 0.000506 0.041852 24H 1pz -0.019884 0.052397 0.108516 -0.159824 -0.056283 0.007458 24H 1px -0.090896 0.063258 0.112643 -0.147788 -0.031778 0.014503 24H 1py 0.021098 0.090413 0.012782 0.089530 -0.008106 0.100970 25H 1s -0.205113 0.037210 0.057827 -0.058295 0.001277 -0.012614 25H 2s -0.109238 -0.048783 -0.186139 -0.352075 0.071987 -0.511132 25H 3s 0.058599 0.025715 0.061231 0.072264 -0.018554 0.195749 25H 1pz 0.062252 0.013973 0.035181 0.193738 -0.016219 0.220082 25H 1px 0.046883 -0.031375 -0.099661 -0.080992 0.041056 -0.171765 25H 1py -0.005671 0.028431 0.091994 0.043733 -0.030753 0.146830 26O 1s -0.009756 0.002214 -0.000826 0.002837 0.001500 0.003924 26O 2s -0.032069 0.008050 -0.003769 0.008771 0.004798 0.014187 26O 3s 0.192617 -0.069932 0.065234 -0.045406 -0.032842 -0.132376 26O 4s -0.297751 0.102251 -0.239168 -0.004196 0.048875 0.396391 26O 5s 0.973679 -0.284947 0.030496 -0.210078 -0.232731 -0.221136 26O 1pz 0.087116 0.013724 -0.063296 -0.010777 0.022053 -0.093186 26O 1px -0.060780 -0.020155 0.007643 0.050228 0.006988 0.029127 26O 1py 0.012717 0.010015 0.036217 -0.074769 -0.027172 0.024197 26O 2pz -0.373769 -0.040440 0.244018 0.012393 -0.064282 0.252213 26O 2px -0.076409 0.063063 0.126522 -0.058910 -0.008256 -0.143947 26O 2py -0.146399 -0.054798 -0.070407 0.260829 0.089708 -0.107196 26O 3pz 0.387065 -0.099783 0.057152 0.015033 -0.059850 -0.051293 26O 3px -0.126047 -0.010935 -0.005156 0.103439 0.056628 0.090699 26O 3py 0.133083 0.112714 -0.023763 0.155292 -0.046849 -0.136025 26O 1dz2 0.007811 -0.005304 -0.001497 -0.008860 0.001878 0.008575 26O 1dxz -0.019711 -0.004738 0.003715 -0.007536 0.001547 0.008331 26O 1dyz -0.005235 0.002524 -0.001390 0.000047 0.001758 -0.006178 26O 1dx2y2 0.004388 -0.006668 0.012194 -0.009482 -0.001820 0.005193 26O 1dxy -0.004763 0.000168 -0.003425 0.004221 0.001823 -0.005068 26O 2dz2 0.086865 -0.055524 0.002824 -0.043871 0.011791 -0.028628 26O 2dxz 0.208712 -0.006101 -0.127876 -0.019043 0.033800 -0.096465 26O 2dyz 0.172174 0.056682 -0.069445 -0.013459 0.008699 -0.133779 26O 2dx2y2 0.039957 -0.068434 -0.079463 0.094589 0.037563 0.051019 26O 2dxy 0.056522 0.033609 0.074012 -0.131469 -0.048693 0.062032 26O 1f0 -0.015153 -0.017740 0.023569 0.008315 -0.000811 0.025252 26O 1f+1 0.042343 -0.010969 -0.003723 -0.013415 -0.000534 -0.010748 26O 1f-1 0.007496 -0.005675 0.002750 -0.007736 -0.001100 -0.014706 26O 1f+2 -0.023674 -0.016884 0.009210 -0.013596 0.001716 -0.003137 26O 1f-2 0.036525 0.011413 -0.015669 -0.010922 0.010791 -0.031525 26O 1f+3 0.001972 -0.005206 0.012615 -0.043790 -0.005785 -0.013646 26O 1f-3 0.027867 0.014966 -0.022857 0.003251 0.003983 -0.020189 27O 1s 0.011664 -0.000220 0.003551 0.000500 -0.002447 -0.002049 27O 2s 0.039235 0.000115 0.011320 0.001078 -0.007661 -0.007894 27O 3s -0.276009 -0.030517 -0.044656 0.011450 0.048893 0.085212 27O 4s 0.495973 0.209889 0.025107 -0.096088 -0.078068 -0.310266 27O 5s -1.229092 0.214603 -0.292558 0.031937 0.108978 0.026402 27O 1pz -0.056779 -0.011430 -0.014219 0.020399 0.067949 -0.043531 27O 1px 0.021776 -0.009278 0.061795 0.015076 -0.012146 -0.047762 27O 1py 0.034322 -0.002890 0.079714 0.038585 -0.055174 -0.071179 27O 2pz 0.173975 0.071655 0.020025 -0.065592 -0.185346 0.133424 27O 2px 0.095142 -0.105051 0.008597 0.026430 0.010921 0.223477 27O 2py -0.182517 0.051041 -0.366692 -0.137617 0.128059 0.191440 27O 3pz -0.189739 -0.115174 -0.139499 -0.063601 -0.006034 0.108107 27O 3px 0.260934 -0.120141 -0.044197 0.022405 -0.098686 0.079096 27O 3py 0.343242 -0.053137 0.197752 -0.082389 0.049978 -0.076491 27O 1dz2 0.002700 -0.006383 -0.000821 -0.008997 -0.000733 0.003934 27O 1dxz 0.011078 -0.002224 -0.001967 -0.010004 -0.003397 0.006199 27O 1dyz 0.002049 0.002220 0.005461 0.004717 -0.001053 -0.004875 27O 1dx2y2 0.003534 -0.006863 0.003443 -0.002907 -0.001363 0.011839 27O 1dxy -0.012671 -0.000390 -0.014754 -0.003108 -0.002707 0.003985 27O 2dz2 0.078971 -0.072893 0.031803 -0.042568 -0.005154 0.066600 27O 2dxz -0.076729 -0.066866 0.056410 0.036196 0.119163 -0.066518 27O 2dyz 0.067131 0.052498 0.050471 0.004149 -0.049824 -0.041237 27O 2dx2y2 0.043907 -0.018049 0.106024 -0.023156 -0.037686 -0.080215 27O 2dxy 0.109842 -0.042706 0.227919 0.048801 -0.072342 -0.108609 27O 1f0 0.007677 -0.004901 -0.019814 -0.010919 -0.037248 0.006805 27O 1f+1 -0.007605 -0.008496 -0.029584 -0.006965 0.011257 0.016268 27O 1f-1 -0.001408 0.006194 0.004231 0.005025 -0.001478 0.003654 27O 1f+2 -0.007006 0.005741 0.006788 0.004218 0.021896 -0.014006 27O 1f-2 0.017308 0.011902 0.042050 0.001864 -0.007375 -0.016259 27O 1f+3 -0.027422 0.009769 -0.034478 -0.004050 0.024033 0.017938 27O 1f-3 0.003928 -0.011639 -0.015717 -0.006092 0.027847 0.010243 28O 1s 0.004573 0.000193 0.003595 -0.000815 0.000919 -0.005163 28O 2s 0.016944 0.000786 0.012543 -0.003392 0.002738 -0.017871 28O 3s -0.145851 -0.006851 -0.110839 0.023754 -0.001216 0.136373 28O 4s 0.419342 0.042458 0.238681 -0.044465 -0.092019 -0.315109 28O 5s -0.671146 -0.100673 -0.361683 0.103103 -0.182691 0.349907 28O 1pz -0.128833 -0.045550 0.031917 -0.060732 0.009878 0.021669 28O 1px -0.060129 -0.037490 0.034948 0.003423 -0.007812 0.076129 28O 1py -0.132480 0.017221 -0.011024 0.022431 -0.016767 -0.047846 28O 2pz 0.400061 0.185895 -0.154716 0.106473 0.056071 -0.135271 28O 2px 0.222456 0.146601 -0.089389 0.021176 -0.051110 -0.205580 28O 2py 0.393929 -0.122566 0.038668 -0.097808 0.055925 0.123719 28O 3pz -0.573467 -0.091962 0.010481 0.257675 0.118026 0.214102 28O 3px -0.106981 -0.094448 -0.154865 -0.003173 -0.044076 0.046252 28O 3py -0.365809 0.110360 0.058228 0.050119 -0.001824 0.231827 28O 1dz2 0.005906 0.000571 -0.003366 0.006213 0.000277 -0.014179 28O 1dxz 0.000628 -0.006769 0.002347 0.004152 -0.002210 -0.000845 28O 1dyz 0.002185 -0.000034 0.003378 -0.005206 -0.003246 0.004227 28O 1dx2y2 -0.016295 -0.010064 -0.003086 0.003393 0.003620 -0.004387 28O 1dxy -0.011297 0.008229 -0.001918 0.002307 0.002672 -0.003708 28O 2dz2 -0.228403 -0.186168 0.074901 -0.009622 0.011427 0.055499 28O 2dxz -0.031416 0.016890 -0.036364 0.076552 0.028527 -0.015164 28O 2dyz -0.226408 0.086280 -0.001558 0.028039 -0.010055 0.015733 28O 2dx2y2 0.149976 0.031006 -0.079866 0.064415 -0.001882 -0.081086 28O 2dxy 0.061285 -0.121354 0.069955 -0.018791 0.012283 0.118464 28O 1f0 -0.010663 0.006996 -0.014865 0.018085 0.007140 0.004387 28O 1f+1 0.016645 0.013573 -0.010782 0.033202 0.000649 0.017157 28O 1f-1 -0.032438 -0.001906 0.008802 0.006354 0.002267 0.012650 28O 1f+2 0.040702 0.011238 -0.012001 -0.002554 0.009682 -0.010265 28O 1f-2 0.031908 -0.001928 -0.009539 -0.005512 0.003852 0.002307 28O 1f+3 0.030300 0.013102 -0.020654 0.028489 0.002143 0.000120 28O 1f-3 -0.015035 -0.017478 0.026481 0.026696 -0.007234 0.048034 29O 1s -0.009629 -0.000311 -0.000406 0.000997 0.000286 -0.002686 29O 2s -0.036534 -0.002028 -0.001847 0.003707 0.002125 -0.009195 29O 3s 0.356762 0.037938 0.020629 -0.034933 -0.039433 0.068952 29O 4s -0.783690 -0.104110 -0.026915 0.068393 0.092157 -0.134179 29O 5s 0.525007 -0.066869 -0.079491 -0.037976 0.115669 0.275542 29O 1pz -0.060068 -0.018426 -0.024074 -0.028560 0.071672 0.015154 29O 1px -0.001779 0.001008 0.004417 -0.011978 0.012125 -0.002307 29O 1py -0.035744 -0.014571 -0.000510 0.017228 0.021898 0.004302 29O 2pz 0.258594 0.086797 0.092085 0.154598 -0.333115 -0.038580 29O 2px -0.008346 -0.011681 -0.000127 0.065735 -0.066999 0.021905 29O 2py 0.159868 0.061247 0.009807 -0.048175 -0.060057 -0.020683 29O 3pz 0.007974 -0.015066 -0.019675 -0.051693 0.059730 0.008619 29O 3px -0.123357 -0.028785 0.061856 -0.006232 0.021116 -0.031855 29O 3py -0.089802 0.038947 -0.007861 0.011524 -0.043766 -0.090918 29O 1dz2 0.001735 0.005490 -0.000706 0.000380 0.001513 -0.007073 29O 1dxz 0.000037 0.004797 -0.001985 0.008485 -0.002500 0.000661 29O 1dyz 0.004303 0.000798 0.000009 0.001045 -0.009588 0.001108 29O 1dx2y2 0.000014 0.007876 -0.000471 0.004707 -0.007064 -0.003310 29O 1dxy 0.001324 -0.001109 0.003036 0.006417 0.004199 0.003458 29O 2dz2 -0.119235 -0.021842 -0.030164 -0.040128 0.106798 -0.010643 29O 2dxz 0.007655 0.018439 0.015829 0.074003 -0.071688 0.001349 29O 2dyz -0.089498 -0.030728 -0.037169 -0.066043 0.114449 0.013443 29O 2dx2y2 0.028072 0.034305 -0.001651 0.021642 -0.047931 -0.015514 29O 2dxy 0.021930 0.006936 0.000291 -0.021383 0.047483 0.002559 29O 1f0 -0.018069 -0.005378 -0.004180 -0.005984 0.010320 -0.000673 29O 1f+1 -0.000787 -0.000624 -0.001292 -0.008642 0.012968 -0.003426 29O 1f-1 -0.025726 -0.002307 -0.008025 -0.002274 0.020095 -0.002289 29O 1f+2 0.008831 0.003217 0.000175 0.008386 -0.006019 0.002215 29O 1f-2 0.009028 0.005908 0.003289 0.010347 -0.024602 -0.006916 29O 1f+3 0.003376 -0.006419 -0.001305 -0.009531 0.009056 0.003176 29O 1f-3 -0.003950 -0.001315 -0.005817 -0.014591 -0.000924 0.000622 30O 1s -0.004365 -0.004440 -0.002569 0.001621 0.001965 0.005131 30O 2s -0.016556 -0.015450 -0.008806 0.005000 0.006911 0.017886 30O 3s 0.166851 0.126209 0.054944 -0.024370 -0.042792 -0.147687 30O 4s -0.536552 -0.285952 -0.129519 -0.023665 0.075031 0.377292 30O 5s 0.393209 0.431694 0.355652 -0.248926 -0.137068 -0.511766 30O 1pz 0.059686 -0.022941 0.039699 -0.048750 0.041769 0.032424 30O 1px 0.047243 0.010215 0.092031 -0.002725 -0.022844 -0.034129 30O 1py -0.037859 -0.038727 -0.097544 -0.053874 -0.018671 0.053870 30O 2pz -0.118563 0.131060 -0.133391 0.169828 -0.073358 -0.101079 30O 2px -0.252768 -0.026358 -0.235844 -0.039868 0.033445 0.106065 30O 2py 0.052098 0.160141 0.379795 0.119737 -0.035373 -0.167380 30O 3pz 0.160560 -0.121494 0.195737 0.089310 -0.163453 -0.220840 30O 3px 0.186064 0.073787 0.121107 -0.065196 -0.016010 -0.137282 30O 3py -0.350833 -0.145894 -0.268224 -0.000855 0.272976 0.144161 30O 1dz2 -0.013454 -0.001246 -0.004002 0.007991 -0.004316 -0.011473 30O 1dxz -0.003881 -0.009308 -0.002348 0.002450 -0.000349 0.000265 30O 1dyz 0.003035 0.004742 0.000957 -0.004568 -0.004278 0.005176 30O 1dx2y2 0.012709 -0.002868 0.007197 0.003922 -0.001725 -0.009616 30O 1dxy -0.000753 -0.006513 -0.004846 -0.000343 0.002734 0.000195 30O 2dz2 0.030889 -0.153721 -0.020790 -0.030944 0.070820 0.013079 30O 2dxz 0.023542 0.073462 0.105254 0.095140 -0.037684 -0.106242 30O 2dyz -0.104047 0.036510 -0.158915 -0.006208 -0.006473 0.070820 30O 2dx2y2 -0.140942 -0.085227 -0.201676 -0.004539 -0.007422 0.032828 30O 2dxy -0.104584 0.060266 0.012453 0.041626 0.021005 -0.023998 30O 1f0 -0.005243 0.011001 0.021002 0.004569 0.009683 -0.007570 30O 1f+1 -0.002561 0.007581 0.019463 0.008655 -0.043336 -0.019406 30O 1f-1 -0.014324 -0.003935 -0.043299 0.001481 -0.004372 0.012257 30O 1f+2 -0.023723 -0.008777 -0.046305 -0.012960 -0.012883 0.019345 30O 1f-2 -0.000307 -0.003226 -0.001971 0.007368 0.004998 0.006783 30O 1f+3 -0.000431 -0.011451 -0.007962 0.000099 -0.038715 -0.004480 30O 1f-3 -0.023354 0.007001 -0.016047 0.003805 0.026028 0.003918 31O 1s 0.004314 -0.004132 0.002412 -0.001589 -0.002066 -0.005136 31O 2s 0.016340 -0.014273 0.008257 -0.004901 -0.007236 -0.017884 31O 3s -0.163600 0.113925 -0.050725 0.023994 0.044589 0.147245 31O 4s 0.524589 -0.245601 0.117352 0.021368 -0.077143 -0.374630 31O 5s -0.409675 0.414272 -0.334778 0.241842 0.143605 0.501340 31O 1pz 0.059219 0.027046 0.039555 -0.048415 0.041615 0.032191 31O 1px 0.049696 -0.006170 0.089991 -0.002644 -0.023499 -0.035353 31O 1py -0.043186 0.036500 -0.095570 -0.054076 -0.018218 0.055819 31O 2pz -0.114265 -0.138127 -0.132788 0.168532 -0.071064 -0.100941 31O 2px -0.254032 0.005205 -0.229228 -0.038417 0.033734 0.108432 31O 2py 0.074389 -0.159543 0.370519 0.121387 -0.039266 -0.172807 31O 3pz 0.139358 0.133613 0.197632 0.087090 -0.169859 -0.227841 31O 3px 0.191360 -0.063770 0.116783 -0.062966 -0.015333 -0.135733 31O 3py -0.366417 0.120402 -0.261520 -0.000238 0.278621 0.148627 31O 1dz2 0.013843 -0.000186 0.004101 -0.007901 0.004400 0.011544 31O 1dxz 0.005003 -0.008977 0.002179 -0.002326 0.000621 -0.000131 31O 1dyz -0.003412 0.004448 -0.000715 0.004516 0.004415 -0.005210 31O 1dx2y2 -0.012333 -0.003847 -0.007069 -0.003918 0.001698 0.009810 31O 1dxy 0.001448 -0.006606 0.004513 0.000343 -0.002802 -0.000090 31O 2dz2 -0.017101 -0.156716 0.019112 0.031697 -0.071280 -0.014167 31O 2dxz -0.025007 0.071764 -0.102634 -0.094640 0.038582 0.108495 31O 2dyz 0.102311 0.043496 0.155989 0.005954 0.005444 -0.071974 31O 2dx2y2 0.152011 -0.074993 0.196899 0.004817 0.007078 -0.034041 31O 2dxy 0.097408 0.068863 -0.012690 -0.042426 -0.020882 0.025786 31O 1f0 -0.004862 -0.011412 0.020695 0.004654 0.009534 -0.007872 31O 1f+1 -0.002362 -0.007935 0.018457 0.008605 -0.043828 -0.019745 31O 1f-1 -0.013867 0.002903 -0.042141 0.001480 -0.003952 0.012754 31O 1f+2 -0.023926 0.007093 -0.045430 -0.012988 -0.012726 0.020068 31O 1f-2 -0.000778 0.003125 -0.001929 0.007214 0.004997 0.006841 31O 1f+3 -0.001677 0.011496 -0.007864 0.000070 -0.039159 -0.004604 31O 1f-3 -0.023848 -0.008826 -0.015476 0.003788 0.026400 0.003808 32O 1s 0.009591 0.000099 0.000413 -0.001035 -0.000324 0.002664 32O 2s 0.036397 -0.000522 0.001862 -0.003866 -0.002275 0.009123 32O 3s -0.355829 0.024146 -0.020448 0.036835 0.040901 -0.068479 32O 4s 0.783765 -0.073855 0.026002 -0.073143 -0.095978 0.132999 32O 5s -0.526457 -0.097206 0.078050 0.039254 -0.109115 -0.271179 32O 1pz -0.060439 0.011309 -0.021735 -0.027487 0.069104 0.007442 32O 1px -0.001108 -0.003599 0.004972 -0.011644 0.010536 -0.005222 32O 1py -0.035408 0.014616 -0.001504 0.016405 0.024449 0.004981 32O 2pz 0.261305 -0.053790 0.080912 0.148010 -0.321001 -0.001444 32O 2px -0.009860 0.022701 -0.003194 0.063631 -0.060592 0.035262 32O 2py 0.162511 -0.061037 0.012669 -0.044754 -0.070135 -0.023231 32O 3pz 0.008216 0.015660 -0.017221 -0.054287 0.057953 0.007859 32O 3px -0.124140 0.021911 0.062299 -0.005862 0.022775 -0.031323 32O 3py -0.086048 -0.043972 -0.009587 0.010267 -0.041167 -0.089773 32O 1dz2 -0.002169 0.005304 0.000602 -0.000175 -0.001716 0.007055 32O 1dxz -0.000518 0.004814 0.002348 -0.008546 0.002258 -0.000718 32O 1dyz -0.004361 0.000463 0.000267 -0.001083 0.009502 -0.001604 32O 1dx2y2 -0.000373 0.007957 0.000587 -0.004567 0.007001 0.003302 32O 1dxy -0.001939 -0.001329 -0.002828 -0.006529 -0.004362 -0.003629 32O 2dz2 0.115012 -0.011325 0.025123 0.035113 -0.098429 0.020353 32O 2dxz -0.012233 0.012077 -0.012796 -0.074424 0.070680 -0.010973 32O 2dyz 0.095884 -0.018688 0.034277 0.063260 -0.112625 0.001661 32O 2dx2y2 -0.031611 0.032199 0.002190 -0.022489 0.050350 0.012572 32O 2dxy -0.023674 0.011279 -0.002008 0.018549 -0.042969 0.003858 32O 1f0 -0.017146 0.004016 -0.003453 -0.005698 0.009097 -0.001492 32O 1f+1 -0.000524 0.000121 -0.000797 -0.008832 0.012915 -0.004481 32O 1f-1 -0.025632 0.000684 -0.007780 -0.002043 0.019963 -0.003945 32O 1f+2 0.009947 -0.002586 -0.000125 0.008041 -0.006091 0.003010 32O 1f-2 0.009420 -0.004263 0.002574 0.010168 -0.023873 -0.004392 32O 1f+3 0.003210 0.006067 -0.000944 -0.008862 0.008229 0.002382 32O 1f-3 -0.005439 0.000324 -0.005205 -0.014666 -0.001499 -0.000590 33O 1s -0.004390 -0.000258 -0.003781 0.000872 -0.000805 0.005090 33O 2s -0.016306 -0.000821 -0.013201 0.003599 -0.002401 0.017594 33O 3s 0.140552 0.005909 0.116872 -0.025594 0.000085 -0.134335 33O 4s -0.400782 0.009602 -0.258522 0.050515 0.088326 0.311739 33O 5s 0.672187 -0.038666 0.360833 -0.097303 0.174286 -0.342281 33O 1pz -0.130362 0.035654 0.030669 -0.061477 0.008317 0.020384 33O 1px -0.058889 0.031471 0.033590 0.004165 -0.007343 0.074478 33O 1py -0.130115 -0.028243 -0.010997 0.023728 -0.017736 -0.049126 33O 2pz 0.404604 -0.153378 -0.152040 0.109376 0.055900 -0.129186 33O 2px 0.217389 -0.128143 -0.080356 0.018222 -0.048459 -0.202569 33O 2py 0.380139 0.156130 0.038690 -0.103482 0.057408 0.127960 33O 3pz -0.569462 0.052275 0.001919 0.258317 0.112896 0.210254 33O 3px -0.117388 0.080549 -0.148696 -0.004985 -0.040008 0.043268 33O 3py -0.348493 -0.138705 0.052222 0.050830 -0.004712 0.230931 33O 1dz2 -0.005226 0.000139 0.002995 -0.006298 -0.000208 0.014251 33O 1dxz -0.000607 -0.006759 -0.002156 -0.004204 0.001944 0.000870 33O 1dyz -0.001983 -0.000288 -0.003579 0.005371 0.003439 -0.003907 33O 1dx2y2 0.016970 -0.008932 0.002987 -0.003285 -0.003365 0.004485 33O 1dxy 0.010786 0.009157 0.001872 -0.002408 -0.002609 0.003661 33O 2dz2 0.237264 -0.168924 -0.072098 0.011720 -0.010569 -0.053434 33O 2dxz 0.029286 0.019306 0.038605 -0.078810 -0.028327 0.015495 33O 2dyz 0.212601 0.104540 0.002871 -0.031111 0.011299 -0.014112 33O 2dx2y2 -0.143325 0.019157 0.075770 -0.064106 0.000246 0.081071 33O 2dxy -0.054972 -0.127736 -0.067035 0.021117 -0.012947 -0.119622 33O 1f0 -0.012535 -0.007906 -0.014685 0.018429 0.007477 0.003452 33O 1f+1 0.016482 -0.012337 -0.010255 0.033700 0.001286 0.016923 33O 1f-1 -0.030509 -0.000316 0.007971 0.006840 0.002165 0.012754 33O 1f+2 0.039106 -0.007746 -0.011432 -0.002739 0.009781 -0.009842 33O 1f-2 0.029956 0.004563 -0.008941 -0.006144 0.004081 0.002559 33O 1f+3 0.029330 -0.010443 -0.020164 0.028721 0.002632 -0.000181 33O 1f-3 -0.013002 0.016656 0.025336 0.027030 -0.006807 0.047679 34O 1s -0.011194 -0.001125 -0.003488 -0.000467 0.002503 0.002096 34O 2s -0.037591 -0.002944 -0.011128 -0.000965 0.007876 0.008070 34O 3s 0.263209 -0.008483 0.043703 -0.012303 -0.050937 -0.086286 34O 4s -0.475650 0.168051 -0.021405 0.097826 0.083708 0.310452 34O 5s 1.169580 0.312865 0.304364 -0.037710 -0.109230 -0.035160 34O 1pz -0.060324 0.007232 -0.013201 0.020582 0.068334 -0.043766 34O 1px 0.021452 0.010163 0.059723 0.014731 -0.013526 -0.048233 34O 1py 0.032703 0.006025 0.077188 0.038543 -0.056424 -0.072627 34O 2pz 0.189932 -0.058734 0.016878 -0.065765 -0.186267 0.134540 34O 2px 0.092705 0.112758 0.013601 0.027338 0.015359 0.221809 34O 2py -0.173356 -0.065679 -0.356989 -0.136888 0.131930 0.197223 34O 3pz -0.194051 0.097391 -0.141965 -0.064041 -0.004369 0.112891 34O 3px 0.253542 0.138136 -0.038951 0.019605 -0.099546 0.076709 34O 3py 0.330800 0.081350 0.193396 -0.081317 0.051122 -0.076784 34O 1dz2 -0.001993 -0.006496 0.000707 0.009028 0.000625 -0.004037 34O 1dxz -0.011135 -0.003022 0.001748 0.010033 0.003328 -0.006289 34O 1dyz -0.002408 0.002028 -0.005522 -0.004847 0.001139 0.005176 34O 1dx2y2 -0.003014 -0.006993 -0.003248 0.002973 0.001297 -0.011915 34O 1dxy 0.012543 0.000488 0.014268 0.003084 0.002740 -0.003890 34O 2dz2 -0.075422 -0.078333 -0.032016 0.042700 0.004415 -0.066961 34O 2dxz 0.092039 -0.061264 -0.057710 -0.035490 -0.118666 0.069243 34O 2dyz -0.073109 0.047317 -0.048577 -0.004464 0.050568 0.041170 34O 2dx2y2 -0.034699 -0.020712 -0.102120 0.024004 0.039966 0.080655 34O 2dxy -0.103915 -0.050498 -0.223237 -0.048268 0.074606 0.111808 34O 1f0 0.007395 0.005428 -0.019541 -0.010955 -0.037311 0.007290 34O 1f+1 -0.007590 0.008285 -0.028907 -0.006843 0.011505 0.016861 34O 1f-1 -0.001174 -0.006400 0.003919 0.005055 -0.001301 0.003613 34O 1f+2 -0.007015 -0.006210 0.006775 0.004236 0.021774 -0.014280 34O 1f-2 0.018400 -0.010730 0.040799 0.001770 -0.007866 -0.016508 34O 1f+3 -0.026362 -0.011813 -0.033665 -0.003968 0.024747 0.018192 34O 1f-3 0.003896 0.012165 -0.014945 -0.006098 0.028101 0.010459 35O 1s 0.009089 0.002842 0.001221 -0.002993 -0.001479 -0.003916 35O 2s 0.029754 0.010141 0.005174 -0.009324 -0.004803 -0.014176 35O 3s -0.175368 -0.083420 -0.076991 0.050069 0.035205 0.132542 35O 4s 0.266085 0.130837 0.268336 -0.007828 -0.063488 -0.396389 35O 5s -0.912374 -0.339875 -0.069648 0.221290 0.227339 0.232117 35O 1pz 0.079270 -0.006303 -0.060354 -0.011976 0.022414 -0.090809 35O 1px -0.060054 0.015946 0.006930 0.051884 0.007473 0.028137 35O 1py 0.018653 -0.009478 0.035546 -0.074973 -0.027514 0.026077 35O 2pz -0.341648 0.010559 0.232460 0.016239 -0.067047 0.246522 35O 2px -0.068340 -0.063038 0.128809 -0.063641 -0.017446 -0.140654 35O 2py -0.167314 0.047959 -0.067912 0.261236 0.087630 -0.112655 35O 3pz 0.364789 0.129811 0.066130 0.011195 -0.061391 -0.047316 35O 3px -0.127230 0.007725 -0.007040 0.103186 0.050969 0.094242 35O 3py 0.145576 -0.098370 -0.018185 0.155848 -0.048997 -0.134795 35O 1dz2 -0.006619 -0.005643 0.001401 0.008990 -0.002004 -0.008616 35O 1dxz 0.019085 -0.003172 -0.003527 0.007596 -0.001400 -0.008357 35O 1dyz 0.004250 0.002858 0.001499 -0.000090 -0.001632 0.006242 35O 1dx2y2 -0.004983 -0.007003 -0.011897 0.009405 0.002008 -0.005377 35O 1dxy 0.005339 0.000481 0.003463 -0.004222 -0.001761 0.005104 35O 2dz2 -0.072484 -0.063000 -0.006393 0.046274 -0.009813 0.027972 35O 2dxz -0.188454 -0.021837 0.123383 0.020083 -0.035224 0.095770 35O 2dyz -0.167503 0.042726 0.065510 0.014433 -0.008218 0.132751 35O 2dx2y2 -0.023976 -0.070927 0.079256 -0.095737 -0.041121 -0.048281 35O 2dxy -0.072461 0.031156 -0.069683 0.131233 0.048037 -0.065116 35O 1f0 -0.013213 0.016876 0.022731 0.008130 -0.000597 0.025356 35O 1f+1 0.040176 0.014513 -0.003253 -0.014430 -0.000631 -0.010124 35O 1f-1 0.006293 0.006394 0.002868 -0.008122 -0.001263 -0.014517 35O 1f+2 -0.023919 0.014853 0.008797 -0.013634 0.001490 -0.003629 35O 1f-2 0.035014 -0.008396 -0.014643 -0.011213 0.010482 -0.031094 35O 1f+3 0.002899 0.004875 0.012642 -0.044014 -0.006424 -0.013045 35O 1f-3 0.026182 -0.013403 -0.021967 0.003370 0.004361 -0.020370 564 565 566 567 568 569 3.83460 3.84747 3.86418 3.86918 3.87569 3.90142 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s -0.002079 0.001607 0.009901 0.000912 -0.006613 -0.001390 0Rh 2s 0.019131 -0.015112 -0.092025 -0.008238 0.054254 0.012423 0Rh 3s -0.000876 0.000486 0.003645 0.000478 -0.006775 -0.000817 0Rh 4s -0.105458 0.083360 0.508044 0.045548 -0.300328 -0.068722 0Rh 5s 0.239196 -0.190807 -1.158968 -0.103600 0.660990 0.155514 0Rh 6s -0.229258 0.190264 1.129379 0.099290 -0.536514 -0.144834 0Rh 7s 0.364558 -0.398986 -1.921681 -0.124342 -0.189676 0.167428 0Rh 8s -0.019490 0.071322 0.220580 -0.017881 0.181612 0.223827 0Rh 1pz 0.001884 -0.001887 -0.000255 0.005433 0.000101 -0.001955 0Rh 1px 0.000345 -0.001566 -0.003289 0.002240 -0.006872 0.001283 0Rh 1py 0.003248 0.000422 -0.000491 -0.000434 -0.000619 -0.009446 0Rh 2pz -0.007746 0.008155 0.001098 -0.020435 -0.000148 0.007450 0Rh 2px -0.001344 0.006163 0.012029 -0.008606 0.025960 -0.004749 0Rh 2py -0.012737 -0.001668 0.002296 0.001645 0.001614 0.036117 0Rh 3pz 0.026359 -0.035497 -0.005159 0.031322 -0.004846 -0.013100 0Rh 3px 0.002816 -0.014931 -0.009099 0.017134 -0.040748 0.005384 0Rh 3py 0.030621 0.004287 -0.013323 -0.002831 0.013814 -0.066738 0Rh 4pz -0.050784 0.087994 0.016379 0.037712 0.022794 -0.008413 0Rh 4px 0.001043 0.009974 -0.077034 -0.001312 -0.052783 0.017511 0Rh 4py -0.024246 -0.004690 0.040486 -0.001815 -0.081330 -0.024285 0Rh 5pz 0.098986 -0.179540 -0.050190 -0.120545 -0.047410 0.037949 0Rh 5px -0.015191 0.005802 0.257007 -0.018111 0.199303 -0.040117 0Rh 5py 0.021404 0.008547 -0.091456 0.008962 0.206746 0.151796 0Rh 6pz -0.402403 0.598619 0.422787 -0.017403 0.162873 0.108025 0Rh 6px 0.147847 -0.105159 -1.183631 -0.011577 -0.387741 -0.204186 0Rh 6py -0.227486 -0.050642 0.476597 -0.016242 -0.689535 0.195415 0Rh 1dz2 0.025700 -0.075166 0.003174 -0.063626 0.017451 0.005842 0Rh 1dxz -0.056669 0.091818 -0.012317 0.092361 -0.008961 -0.018744 0Rh 1dyz -0.012497 -0.013220 -0.020525 -0.001694 0.034348 0.051947 0Rh 1dx2y2 -0.014196 0.034048 -0.022451 0.035141 0.014666 0.019802 0Rh 1dxy -0.047138 -0.016611 0.069187 -0.005274 -0.119059 -0.121907 0Rh 2dz2 0.003636 -0.012373 0.000397 -0.008826 0.002999 0.001028 0Rh 2dxz -0.009240 0.014772 -0.001402 0.012591 -0.000011 -0.002048 0Rh 2dyz -0.003355 -0.002087 -0.003692 -0.000166 0.006094 0.007929 0Rh 2dx2y2 -0.002673 0.005609 -0.003838 0.005360 0.001527 0.002171 0Rh 2dxy -0.008457 -0.002556 0.010706 -0.000527 -0.018885 -0.016379 0Rh 3dz2 -0.110309 0.332179 -0.013786 0.274307 -0.077893 -0.026384 0Rh 3dxz 0.250009 -0.404792 0.050987 -0.397750 0.033713 0.079090 0Rh 3dyz 0.061635 0.058317 0.092230 0.006975 -0.154424 -0.228570 0Rh 3dx2y2 0.063965 -0.150078 0.101125 -0.153614 -0.061612 -0.082955 0Rh 3dxy 0.211482 0.072546 -0.303044 0.021542 0.525269 0.526287 0Rh 4dz2 0.142713 -0.455024 0.021498 -0.362175 0.106414 0.037604 0Rh 4dxz -0.342481 0.554948 -0.059444 0.525931 -0.039267 -0.101700 0Rh 4dyz -0.100013 -0.080451 -0.129297 -0.005951 0.217348 0.313269 0Rh 4dx2y2 -0.087969 0.203467 -0.149802 0.207638 0.084907 0.104963 0Rh 4dxy -0.296712 -0.099012 0.409433 -0.025237 -0.722355 -0.704823 0Rh 5dz2 -0.089729 0.369487 -0.058595 0.232876 -0.064954 -0.040523 0Rh 5dxz 0.297561 -0.473185 -0.025956 -0.357543 0.037396 0.045202 0Rh 5dyz 0.128760 0.062751 0.107110 -0.051904 -0.186909 -0.249551 0Rh 5dx2y2 0.055686 -0.150373 0.220944 -0.170021 -0.112985 -0.045706 0Rh 5dxy 0.265620 0.087629 -0.299959 -0.014347 0.593010 0.517245 0Rh 1f0 0.003572 -0.018864 -0.003028 0.008885 0.005605 0.005202 0Rh 1f+1 0.020788 -0.027877 0.009231 0.003425 -0.009961 0.003400 0Rh 1f-1 -0.006809 -0.005303 0.004928 -0.010694 0.000524 0.011239 0Rh 1f+2 -0.017598 0.019096 0.009626 0.005678 -0.023868 0.010349 0Rh 1f-2 0.002351 0.012933 -0.007178 -0.002685 0.009702 0.019190 0Rh 1f+3 -0.003219 -0.010630 0.022305 -0.008931 -0.034050 0.005674 0Rh 1f-3 0.007610 -0.005300 -0.016293 -0.000026 0.021824 -0.011406 1Rh 1s -0.002011 0.001599 0.009869 -0.001355 -0.006532 0.000401 1Rh 2s 0.018559 -0.015056 -0.091747 0.011823 0.053526 -0.003718 1Rh 3s -0.000814 0.000468 0.003622 -0.000962 -0.006734 0.000152 1Rh 4s -0.102302 0.083053 0.506506 -0.065392 -0.296306 0.020519 1Rh 5s 0.232225 -0.190197 -1.155505 0.147045 0.651843 -0.046797 1Rh 6s -0.223417 0.190040 1.126187 -0.133611 -0.527761 0.045442 1Rh 7s 0.359737 -0.398976 -1.918621 0.102109 -0.200537 -0.066471 1Rh 8s -0.029940 0.075411 0.221494 0.030484 0.179158 -0.237641 1Rh 1pz -0.001941 0.001864 0.000263 0.005461 -0.000602 -0.001990 1Rh 1px -0.000324 0.001562 0.003298 0.002769 0.006633 0.001569 1Rh 1py -0.003345 -0.000474 0.000562 -0.000418 0.000668 -0.009404 1Rh 2pz 0.007965 -0.008069 -0.001126 -0.020565 0.002044 0.007581 1Rh 2px 0.001260 -0.006144 -0.012069 -0.010604 -0.025038 -0.005834 1Rh 2py 0.013112 0.001861 -0.002564 0.001639 -0.001805 0.035937 1Rh 3pz -0.026755 0.035379 0.005194 0.032021 0.001753 -0.013291 1Rh 3px -0.002565 0.014824 0.009276 0.020269 0.038835 0.007236 1Rh 3py -0.031418 -0.004566 0.013793 -0.004054 -0.013364 -0.065949 1Rh 4pz 0.050658 -0.088204 -0.016233 0.035771 -0.025593 -0.008516 1Rh 4px -0.001416 -0.009644 0.076626 0.002796 0.053135 0.018731 1Rh 4py 0.024381 0.004326 -0.040174 0.003992 0.081026 -0.026468 1Rh 5pz -0.098272 0.180176 0.049585 -0.116876 0.057615 0.036935 1Rh 5px 0.016058 -0.006651 -0.256408 -0.033838 -0.197179 -0.044229 1Rh 5py -0.020405 -0.007616 0.089941 -0.004956 -0.206792 0.157376 1Rh 6pz 0.405172 -0.602977 -0.422977 -0.033848 -0.162575 0.143580 1Rh 6px -0.165269 0.114412 1.183420 0.023222 0.380372 -0.222498 1Rh 6py 0.229380 0.051713 -0.474530 0.020244 0.693287 0.179436 1Rh 1dz2 0.025891 -0.078105 0.003809 0.065137 0.012755 -0.004919 1Rh 1dxz -0.055554 0.090901 -0.012024 -0.092329 -0.001429 0.018312 1Rh 1dyz -0.013431 -0.012964 -0.020640 0.002927 0.034005 -0.053591 1Rh 1dx2y2 -0.014033 0.031837 -0.021869 -0.033926 0.017946 -0.024327 1Rh 1dxy -0.045408 -0.015930 0.068298 -0.002769 -0.118401 0.125988 1Rh 2dz2 0.003656 -0.012865 0.000503 0.009074 0.002352 -0.000874 1Rh 2dxz -0.009091 0.014635 -0.001345 -0.012482 0.001016 0.002015 1Rh 2dyz -0.003512 -0.002139 -0.003694 0.000424 0.006009 -0.008159 1Rh 2dx2y2 -0.002625 0.005256 -0.003759 -0.005239 0.002012 -0.002903 1Rh 2dxy -0.008235 -0.002499 0.010586 -0.000760 -0.018777 0.016953 1Rh 3dz2 -0.111102 0.345233 -0.016611 -0.280995 -0.057649 0.022315 1Rh 3dxz 0.245242 -0.400804 0.049650 0.397171 0.001234 -0.077284 1Rh 3dyz 0.065772 0.057636 0.092663 -0.012688 -0.152770 0.235732 1Rh 3dx2y2 0.063148 -0.140343 0.098618 0.148543 -0.075901 0.102965 1Rh 3dxy 0.204145 0.069808 -0.299234 0.013955 0.522332 -0.544070 1Rh 4dz2 0.143720 -0.473095 0.025438 0.371215 0.079629 -0.032240 1Rh 4dxz -0.336283 0.549620 -0.057533 -0.524605 0.003812 0.098986 1Rh 4dyz -0.105681 -0.080642 -0.129677 0.014245 0.214972 -0.323128 1Rh 4dx2y2 -0.086709 0.190201 -0.146485 -0.200804 0.104143 -0.132089 1Rh 4dxy -0.287284 -0.095893 0.404459 -0.023531 -0.718186 0.729389 1Rh 5dz2 -0.090064 0.385562 -0.062523 -0.238110 -0.047288 0.039184 1Rh 5dxz 0.293983 -0.469700 -0.027804 0.356801 0.007893 -0.038411 1Rh 5dyz 0.133363 0.070077 0.105320 0.044381 -0.187507 0.258580 1Rh 5dx2y2 0.053966 -0.139429 0.218715 0.161940 -0.128068 0.061318 1Rh 5dxy 0.259674 0.088387 -0.297122 0.054239 0.587468 -0.540032 1Rh 1f0 -0.003837 0.018643 0.003138 0.008364 -0.006316 0.003528 1Rh 1f+1 -0.020816 0.028187 -0.009388 0.004130 0.009619 0.004041 1Rh 1f-1 0.006879 0.005456 -0.004957 -0.010808 0.000290 0.011855 1Rh 1f+2 0.017844 -0.019189 -0.009783 0.007351 0.023424 0.011741 1Rh 1f-2 -0.002166 -0.012631 0.007074 -0.003424 -0.009117 0.020369 1Rh 1f+3 0.003625 0.010173 -0.022320 -0.006627 0.034687 0.006911 1Rh 1f-3 -0.007657 0.004885 0.016263 -0.001355 -0.021682 -0.009320 2C 1s 0.009154 0.001608 -0.006513 0.003612 -0.001833 0.000599 2C 2s 0.025228 0.006470 -0.017060 0.007953 -0.004816 0.004230 2C 3s -0.128706 -0.133052 0.031024 0.160090 -0.088082 -0.276627 2C 4s -0.657234 0.355824 0.749750 -1.650911 1.140999 1.738090 2C 5s 0.065907 -0.532725 -1.139521 0.982701 -0.412141 -0.379451 2C 1pz -0.165409 -0.066876 0.110273 -0.025812 0.024523 -0.056328 2C 1px -0.060839 0.010099 0.032133 -0.010214 -0.020238 -0.015113 2C 1py -0.109697 -0.028504 0.074945 -0.025962 0.009758 -0.045562 2C 2pz 0.003155 0.289368 0.376310 -0.887059 0.348613 0.950753 2C 2px -0.504499 -0.293019 0.251774 -0.703064 1.273492 0.880828 2C 2py 0.173208 0.238707 -0.052118 -0.256983 0.454342 0.584874 2C 3pz 0.033709 -0.074998 -0.308985 0.138158 -0.030188 -0.010701 2C 3px 0.157775 -0.019606 -0.169688 0.183597 -0.171405 -0.143674 2C 3py 0.007092 -0.090658 -0.142135 0.071788 -0.066899 0.072395 2C 1dz2 -0.071913 -0.029066 0.054035 -0.010214 0.051618 0.003395 2C 1dxz 0.111064 0.108526 -0.022355 0.121308 -0.220436 -0.149223 2C 1dyz -0.242587 -0.075655 0.161989 -0.138912 0.171098 0.067237 2C 1dx2y2 -0.020591 -0.008799 -0.054236 -0.018808 0.165999 0.094392 2C 1dxy -0.069524 0.005281 0.084128 -0.058627 -0.066561 0.011345 2C 2dz2 0.231088 0.183527 -0.033397 -0.157375 -0.095490 0.155388 2C 2dxz 0.130197 -0.109524 -0.138307 -0.048783 0.227043 0.128693 2C 2dyz 0.385387 0.205393 -0.155526 -0.109841 0.156101 0.411613 2C 2dx2y2 -0.229016 -0.085324 0.141817 -0.123396 0.176609 0.013777 2C 2dxy 0.025180 -0.100527 -0.005921 -0.127451 0.257991 0.185429 2C 1f0 0.004438 0.090740 0.021203 -0.029935 -0.111514 -0.028910 2C 1f+1 0.199025 -0.015941 -0.130982 0.067263 0.113292 0.060247 2C 1f-1 0.255855 0.154770 -0.168285 0.070724 -0.153000 0.000339 2C 1f+2 -0.076759 -0.044600 0.010334 -0.037358 0.073063 -0.019053 2C 1f-2 -0.043501 -0.127503 0.046941 -0.077140 0.190719 0.091343 2C 1f+3 0.212521 -0.043066 -0.103675 0.049911 0.023208 0.041244 2C 1f-3 0.110414 0.045472 -0.044756 0.055748 -0.071632 -0.002815 3C 1s -0.005837 -0.005672 -0.007879 0.001882 -0.002765 0.001283 3C 2s -0.017062 -0.016151 -0.021276 0.003783 -0.006929 0.001321 3C 3s 0.125432 0.108743 0.055451 0.136181 -0.087155 0.228644 3C 4s 0.297399 0.221150 0.944483 -1.254690 1.106639 -1.842828 3C 5s 0.471645 -0.075934 -0.883117 0.384341 -0.633362 1.093533 3C 1pz 0.061093 0.054431 0.085910 0.004125 0.011843 -0.019964 3C 1px 0.042237 0.059510 0.029066 0.008443 0.035787 0.004099 3C 1py -0.121323 -0.112618 -0.139635 0.009020 -0.023959 -0.029238 3C 2pz -0.395946 -0.231867 -0.425189 -0.035882 -0.050391 0.505391 3C 2px 0.565716 -0.389452 0.711152 -0.702388 0.235988 -0.692681 3C 2py 0.102208 -0.112216 -0.533639 0.713613 -0.651177 1.636894 3C 3pz 0.103365 0.029692 -0.026501 -0.077716 0.016332 -0.098464 3C 3px -0.062196 0.001691 -0.124035 0.055059 -0.135990 0.160094 3C 3py -0.089497 0.102884 0.303165 -0.077224 0.121662 -0.270031 3C 1dz2 0.001973 -0.046909 -0.027733 0.012634 -0.027596 0.066166 3C 1dxz -0.134629 0.155640 -0.055624 0.093607 0.002899 -0.004909 3C 1dyz -0.244692 -0.098999 -0.325766 0.157183 -0.101128 0.247549 3C 1dx2y2 -0.020973 0.031052 -0.025047 -0.021935 0.053843 -0.142742 3C 1dxy 0.027362 -0.051330 0.015488 -0.049722 0.005715 -0.081878 3C 2dz2 -0.042399 0.014517 -0.184405 0.109722 -0.096298 0.466426 3C 2dxz -0.067624 -0.175799 -0.071572 -0.065679 -0.082210 0.044620 3C 2dyz 0.327969 0.181594 0.198876 0.116494 -0.083050 0.263801 3C 2dx2y2 0.302310 0.088387 0.276052 -0.028603 -0.034163 0.138671 3C 2dxy -0.025234 0.327975 -0.072758 0.214897 0.056543 0.159150 3C 1f0 0.161989 0.110809 0.152271 -0.023610 0.076847 -0.017192 3C 1f+1 -0.051044 0.047761 -0.023504 0.023464 -0.022518 0.060979 3C 1f-1 0.115711 0.048130 0.208639 -0.054589 0.037397 -0.241440 3C 1f+2 0.057719 -0.063758 0.121030 -0.043067 -0.096228 -0.025029 3C 1f-2 0.037729 0.107833 -0.036443 0.052195 0.118164 -0.048837 3C 1f+3 -0.095529 -0.240397 -0.076433 -0.008834 -0.102044 -0.074681 3C 1f-3 0.212637 0.043803 0.228838 -0.107973 -0.009974 0.046814 4C 1s 0.020254 0.003833 -0.009387 0.014672 -0.011773 -0.008995 4C 2s 0.056891 0.010101 -0.029188 0.038182 -0.029482 -0.021391 4C 3s -0.265435 0.029713 0.240994 -0.141896 -0.036703 -0.040957 4C 4s -0.920143 -0.537536 0.203429 -0.616074 1.200674 0.685984 4C 5s -0.552731 -0.244309 0.596255 -0.579089 0.335453 0.471259 4C 1pz 0.277233 0.061553 -0.200817 0.167957 -0.172751 -0.093678 4C 1px 0.007666 -0.027752 -0.014366 0.033779 0.030724 0.010339 4C 1py 0.194812 0.036177 -0.147871 0.140289 -0.103809 -0.067579 4C 2pz -0.500213 0.003028 0.554058 -1.350003 1.369450 1.588810 4C 2px -0.336873 0.573604 0.192525 -0.470770 -0.119878 0.416535 4C 2py -0.588500 0.159854 0.530335 -1.181076 0.850077 1.145712 4C 3pz -0.597429 -0.672796 -0.679048 0.341520 -0.060534 -0.005354 4C 3px -0.127530 -0.114462 -0.049610 -0.091947 0.024203 -0.034583 4C 3py -0.387341 -0.448469 -0.462403 0.194982 -0.022272 -0.080836 4C 1dz2 -0.116934 0.004009 0.073426 -0.041845 0.019240 0.014460 4C 1dxz -0.030364 -0.070133 0.060766 0.022537 0.038049 -0.001738 4C 1dyz -0.212390 -0.026934 0.145374 -0.200212 0.165458 0.115805 4C 1dx2y2 0.017043 0.027522 -0.058818 -0.045675 0.067161 0.093017 4C 1dxy -0.051217 -0.040151 0.015136 -0.081238 0.136018 0.095255 4C 2dz2 0.338190 -0.032687 -0.182861 0.457702 -0.616388 -0.602209 4C 2dxz 0.090442 0.028606 -0.255464 0.216534 0.027452 -0.233171 4C 2dyz 0.279457 -0.047187 -0.425146 0.641845 -0.395952 -0.539347 4C 2dx2y2 -0.363229 -0.038820 0.205746 -0.589135 0.624694 0.606969 4C 2dxy -0.191834 -0.175094 0.085192 -0.173735 0.207991 0.251131 4C 1f0 0.030230 -0.030860 0.048903 0.058059 -0.097288 -0.042214 4C 1f+1 0.198503 0.077402 -0.146665 0.291613 -0.279467 -0.333774 4C 1f-1 -0.192718 -0.048252 0.111001 -0.099867 0.192349 0.060903 4C 1f+2 0.019507 -0.051641 -0.071134 -0.017966 0.157378 0.104906 4C 1f-2 -0.012291 0.013977 0.060542 0.001605 -0.164999 -0.035186 4C 1f+3 -0.053066 -0.157004 0.113071 -0.044630 -0.040326 -0.028155 4C 1f-3 0.221870 -0.067021 -0.075271 0.208535 -0.158604 -0.198997 5C 1s -0.015327 -0.009946 -0.013536 0.010310 -0.012218 0.011225 5C 2s -0.041848 -0.028370 -0.040757 0.026432 -0.030574 0.028583 5C 3s 0.139209 0.119720 0.283394 -0.058501 0.001724 -0.056847 5C 4s 0.837244 0.672396 0.343593 -0.536516 1.135575 -0.584712 5C 5s 0.244533 0.536467 0.523426 -0.315019 0.346211 -0.802360 5C 1pz -0.136277 -0.109673 -0.196411 0.104108 -0.109268 0.162463 5C 1px -0.017285 -0.087418 -0.053688 -0.011851 -0.052836 0.060123 5C 1py 0.184006 0.149454 0.249006 -0.124462 0.137974 -0.130809 5C 2pz 0.360569 0.151548 0.827492 -0.827279 0.608131 -1.383511 5C 2px -0.001887 0.422534 -0.074928 -0.240410 0.961508 -0.900286 5C 2py -0.371405 -0.111078 -0.853392 1.211948 -0.946892 1.496983 5C 3pz 0.510720 0.204768 -0.246060 0.022632 -0.137663 0.359569 5C 3px 0.331079 0.087215 -0.233682 0.114565 -0.024897 0.059174 5C 3py -0.867652 -0.355928 0.373002 -0.000362 0.197952 -0.469577 5C 1dz2 -0.064461 -0.001908 -0.048221 0.097714 -0.085019 0.102042 5C 1dxz 0.036628 0.019081 0.078282 0.005130 -0.035738 0.017525 5C 1dyz -0.123889 -0.121830 -0.126432 0.105453 -0.187999 0.158296 5C 1dx2y2 -0.038760 -0.098696 -0.086301 -0.016335 -0.019636 -0.004070 5C 1dxy -0.091836 -0.032703 -0.159929 0.073705 -0.028190 0.082178 5C 2dz2 -0.131803 -0.129086 -0.204989 0.146458 -0.165753 0.467558 5C 2dxz -0.176695 -0.062000 -0.198426 0.256781 -0.362693 0.489595 5C 2dyz 0.166249 0.021457 0.448823 -0.356786 0.348518 -0.709568 5C 2dx2y2 0.426016 0.139917 0.550053 -0.646279 0.557874 -0.703506 5C 2dxy -0.168955 0.310137 0.205851 -0.166697 0.134547 -0.323127 5C 1f0 -0.133450 -0.174582 -0.288938 0.153969 -0.051911 0.182177 5C 1f+1 -0.167540 -0.055480 -0.033413 0.098662 -0.233441 0.108618 5C 1f-1 -0.109531 0.018816 -0.139506 0.048655 -0.073634 0.261098 5C 1f+2 -0.110051 -0.015885 -0.107483 0.073793 -0.100398 0.091277 5C 1f-2 0.120010 -0.131599 0.064409 -0.134637 0.019461 -0.026190 5C 1f+3 0.008523 -0.131774 -0.072260 0.111855 -0.134015 0.293101 5C 1f-3 0.087720 0.028533 0.045290 -0.136190 0.198923 -0.252727 6C 1s -0.014906 -0.010107 -0.013379 -0.011376 -0.011479 -0.011425 6C 2s -0.040669 -0.028791 -0.040345 -0.029163 -0.028722 -0.028720 6C 3s 0.133490 0.121206 0.281260 0.061230 0.000146 0.037564 6C 4s 0.817211 0.680578 0.341377 0.628374 1.090465 0.667181 6C 5s 0.247372 0.542322 0.518062 0.345614 0.326738 0.812815 6C 1pz 0.131675 0.111453 0.194779 0.113130 0.102043 0.162247 6C 1px 0.015743 0.085604 0.052932 -0.007922 0.052797 0.056424 6C 1py -0.178432 -0.152019 -0.247872 -0.137674 -0.130280 -0.130401 6C 2pz -0.349868 -0.160919 -0.814863 -0.869699 -0.542577 -1.411054 6C 2px -0.000166 -0.423989 0.078053 -0.305549 -0.936173 -0.897401 6C 2py 0.365666 0.126919 0.842405 1.285492 0.854531 1.545229 6C 3pz -0.503170 -0.204479 0.241405 0.027945 0.135766 0.350576 6C 3px -0.328294 -0.084287 0.231078 0.116847 0.019739 0.052152 6C 3py 0.854893 0.353239 -0.365812 -0.010526 -0.200568 -0.452916 6C 1dz2 -0.062853 -0.003938 -0.046982 -0.103552 -0.077881 -0.107701 6C 1dxz 0.035094 0.021254 0.078391 -0.006633 -0.034670 -0.018619 6C 1dyz -0.120166 -0.122972 -0.124670 -0.120832 -0.179998 -0.161354 6C 1dx2y2 -0.037218 -0.097158 -0.086394 0.014522 -0.021331 0.014972 6C 1dxy -0.089320 -0.035015 -0.159687 -0.077645 -0.024043 -0.085762 6C 2dz2 -0.129173 -0.132846 -0.203713 -0.159563 -0.152084 -0.479173 6C 2dxz -0.173340 -0.064832 -0.193021 -0.280623 -0.339693 -0.491364 6C 2dyz 0.161776 0.031574 0.444185 0.383541 0.321631 0.712515 6C 2dx2y2 0.418486 0.152896 0.546441 0.693138 0.509829 0.728317 6C 2dxy -0.167535 0.299125 0.202842 0.173746 0.120203 0.317201 6C 1f0 0.128318 0.174595 0.287450 0.160156 0.041470 0.187781 6C 1f+1 0.163849 0.057661 0.031388 0.115945 0.224824 0.112410 6C 1f-1 0.106478 -0.016250 0.136934 0.052303 0.068996 0.259480 6C 1f+2 0.107705 0.019397 0.107955 0.083995 0.095197 0.094452 6C 1f-2 -0.118477 0.127060 -0.064131 -0.138353 -0.010111 -0.041927 6C 1f+3 -0.008516 0.130717 0.072445 0.122081 0.124287 0.308963 6C 1f-3 -0.086297 -0.029906 -0.042196 -0.148690 -0.186225 -0.253080 7C 1s 0.020181 0.004153 -0.009299 -0.015472 -0.010609 0.008475 7C 2s 0.056653 0.010951 -0.028947 -0.040177 -0.026470 0.020392 7C 3s -0.263453 0.027132 0.239379 0.139270 -0.047403 0.028857 7C 4s -0.918454 -0.553626 0.201554 0.696241 1.150427 -0.605765 7C 5s -0.556709 -0.248426 0.599456 0.602731 0.284388 -0.473179 7C 1pz -0.276752 -0.065891 0.200808 0.180042 0.159520 -0.094009 7C 1px -0.006438 0.029634 0.012882 0.030134 -0.032945 0.010396 7C 1py -0.192958 -0.038639 0.146875 0.146600 0.091162 -0.063878 7C 2pz 0.522428 0.018653 -0.565306 -1.452648 -1.256102 1.554120 7C 2px 0.339594 -0.570384 -0.193023 -0.464155 0.154813 0.404439 7C 2py 0.590874 -0.144789 -0.531048 -1.244359 -0.744742 1.101666 7C 3pz 0.595226 0.672494 0.682394 0.353387 0.026791 -0.040214 7C 3px 0.124584 0.113101 0.048971 -0.094933 -0.020467 -0.032168 7C 3py 0.386620 0.449272 0.465606 0.201534 -0.000011 -0.099511 7C 1dz2 -0.114406 0.003226 0.071748 0.042514 0.015650 -0.012682 7C 1dxz -0.030141 -0.071086 0.060856 -0.019668 0.039303 -0.003610 7C 1dyz -0.212808 -0.030062 0.145224 0.211387 0.149213 -0.110408 7C 1dx2y2 0.016999 0.026919 -0.059212 0.051562 0.062805 -0.085282 7C 1dxy -0.052512 -0.043540 0.016190 0.091398 0.129238 -0.092072 7C 2dz2 0.345684 -0.015850 -0.190316 -0.507925 -0.583389 0.602631 7C 2dxz 0.089730 0.018354 -0.250541 -0.209397 0.045117 0.223809 7C 2dyz 0.284429 -0.040194 -0.426106 -0.669385 -0.338120 0.523105 7C 2dx2y2 -0.368950 -0.050425 0.208505 0.632415 0.571344 -0.583507 7C 2dxy -0.195128 -0.184861 0.088855 0.193384 0.194214 -0.237482 7C 1f0 -0.029862 0.027256 -0.051171 0.064740 0.091089 -0.032270 7C 1f+1 -0.201534 -0.081277 0.148165 0.310744 0.250942 -0.315544 7C 1f-1 0.193165 0.053140 -0.111968 -0.113197 -0.185283 0.066679 7C 1f+2 -0.016118 0.053633 0.068716 -0.030180 -0.158480 0.104858 7C 1f-2 0.011840 -0.017054 -0.058310 0.015946 0.165437 -0.039590 7C 1f+3 0.048826 0.154812 -0.109792 -0.040337 0.046552 -0.035143 7C 1f-3 -0.218359 0.063576 0.073945 0.220092 0.143516 -0.192975 8C 1s -0.005619 -0.005731 -0.007844 -0.002194 -0.002671 -0.001000 8C 2s -0.016437 -0.016289 -0.021196 -0.004608 -0.006777 -0.000580 8C 3s 0.120563 0.107403 0.056762 -0.139913 -0.075725 -0.235263 8C 4s 0.291837 0.237994 0.929824 1.335478 1.010222 1.862460 8C 5s 0.467479 -0.086576 -0.868089 -0.429788 -0.610621 -1.086049 8C 1pz -0.059215 -0.055012 -0.085554 0.002100 -0.012794 -0.016949 8C 1px -0.040980 -0.059384 -0.029090 0.005368 -0.036671 0.007525 8C 1py 0.116739 0.113089 0.139347 0.012891 0.024463 -0.033344 8C 2pz 0.377795 0.236370 0.421302 -0.034361 0.048750 0.507783 8C 2px -0.558228 0.358728 -0.714085 -0.734829 -0.190094 -0.755036 8C 2py -0.102572 0.113567 0.519690 0.747974 0.587483 1.639361 8C 3pz -0.100590 -0.028706 0.026055 -0.076972 -0.007622 -0.102269 8C 3px 0.060748 0.002913 0.125043 0.067504 0.133059 0.164930 8C 3py 0.090737 -0.102866 -0.299228 -0.085041 -0.116657 -0.261725 8C 1dz2 0.000500 -0.044143 -0.029120 -0.015008 -0.026353 -0.063916 8C 1dxz -0.132279 0.148367 -0.054806 -0.095437 0.009414 -0.004597 8C 1dyz -0.236874 -0.102976 -0.324270 -0.166927 -0.089392 -0.249201 8C 1dx2y2 -0.021460 0.027895 -0.025966 0.023528 0.049450 0.145909 8C 1dxy 0.028123 -0.049067 0.016830 0.050722 0.001982 0.089547 8C 2dz2 -0.041073 0.010499 -0.182019 -0.115341 -0.085979 -0.472947 8C 2dxz -0.064674 -0.172268 -0.070756 0.058943 -0.086493 -0.039155 8C 2dyz 0.316587 0.185095 0.199257 -0.117122 -0.070839 -0.272623 8C 2dx2y2 0.293947 0.093510 0.276921 0.032754 -0.032787 -0.137885 8C 2dxy -0.027271 0.318376 -0.071289 -0.211960 0.072398 -0.178109 8C 1f0 -0.157646 -0.112965 -0.152624 -0.031339 -0.076692 -0.010684 8C 1f+1 0.052643 -0.043553 0.024856 0.025471 0.022502 0.058840 8C 1f-1 -0.112239 -0.050430 -0.206443 -0.057545 -0.033851 -0.241412 8C 1f+2 -0.056888 0.060847 -0.122379 -0.038536 0.098272 -0.035935 8C 1f-2 -0.035301 -0.103233 0.039244 0.046079 -0.119750 -0.036380 8C 1f+3 0.092220 0.239059 0.077292 0.001173 0.104261 -0.079777 8C 1f-3 -0.204589 -0.047382 -0.227151 -0.111768 0.016151 0.037844 9C 1s 0.009101 0.001702 -0.006465 -0.003683 -0.001551 -0.000527 9C 2s 0.025018 0.006730 -0.016893 -0.008111 -0.004227 -0.004050 9C 3s -0.122766 -0.133024 0.027821 -0.169011 -0.073304 0.271480 9C 4s -0.680827 0.335930 0.760128 1.738634 0.999163 -1.702751 9C 5s 0.068020 -0.522826 -1.142539 -1.018683 -0.323533 0.400505 9C 1pz 0.162441 0.068146 -0.108962 -0.026257 -0.022915 -0.053217 9C 1px 0.059924 -0.010119 -0.031564 -0.008611 0.020659 -0.014786 9C 1py 0.109192 0.029797 -0.074088 -0.025911 -0.007970 -0.044845 9C 2pz -0.004206 -0.288441 -0.370158 -0.902601 -0.254377 0.903173 9C 2px 0.516089 0.327056 -0.267901 -0.803421 -1.206373 0.866482 9C 2py -0.141039 -0.229687 0.028573 -0.316421 -0.461180 0.630358 9C 3pz -0.030440 0.074319 0.305257 0.138347 0.013970 -0.013758 9C 3px -0.159335 0.015270 0.173115 0.197853 0.154088 -0.147418 9C 3py -0.009639 0.089321 0.147267 0.081211 0.064997 0.056203 9C 1dz2 -0.074971 -0.032576 0.055018 0.016831 0.054161 -0.010471 9C 1dxz 0.111968 0.116238 -0.024245 -0.139032 -0.209777 0.141239 9C 1dyz -0.239542 -0.080012 0.161786 0.149067 0.158030 -0.068486 9C 1dx2y2 -0.023717 -0.012785 -0.052255 0.032260 0.166392 -0.096422 9C 1dxy -0.065489 0.007269 0.079765 0.051490 -0.070692 -0.004731 9C 2dz2 0.230476 0.188621 -0.034871 0.146552 -0.115143 -0.137536 9C 2dxz 0.124404 -0.117510 -0.133373 0.067169 0.219920 -0.124959 9C 2dyz 0.375698 0.205926 -0.149083 0.127786 0.148116 -0.413277 9C 2dx2y2 -0.225420 -0.088749 0.140646 0.130792 0.161442 -0.007922 9C 2dxy 0.020999 -0.109420 -0.002945 0.149904 0.247685 -0.178482 9C 1f0 -0.004030 -0.092320 -0.019523 -0.021141 0.115828 -0.036806 9C 1f+1 -0.191753 0.018240 0.127231 0.055387 -0.118546 0.061563 9C 1f-1 -0.255915 -0.158546 0.169732 0.080768 0.147307 -0.002666 9C 1f+2 0.070338 0.047553 -0.005053 -0.040372 -0.068786 -0.024763 9C 1f-2 0.042367 0.130965 -0.046975 -0.089509 -0.182182 0.091825 9C 1f+3 -0.207950 0.042848 0.099594 0.047415 -0.026636 0.042410 9C 1f-3 -0.119007 -0.048432 0.048424 0.063871 0.067892 -0.000056 10H 1s 0.108741 -0.018435 -0.094277 0.057352 -0.049650 -0.046471 10H 2s 0.455630 0.163762 -0.173711 0.383922 -0.718470 -0.442917 10H 3s -0.226400 -0.043267 0.150776 -0.278239 0.321832 0.249710 10H 1pz 0.257587 0.062063 -0.111017 0.196276 -0.271964 -0.170482 10H 1px -0.095011 -0.067058 0.010471 -0.100903 0.274333 0.173797 10H 1py 0.114487 0.013037 -0.041403 0.079404 -0.126973 -0.070273 11H 1s 0.116687 0.038370 -0.072716 0.044999 0.002540 0.040095 11H 2s -0.279642 -0.174754 0.252078 -0.368969 0.371085 0.307797 11H 3s 0.106690 0.093139 -0.091469 0.056985 -0.090393 -0.101405 11H 1pz -0.085638 -0.075474 0.058596 -0.121773 0.106730 0.094000 11H 1px -0.094581 -0.062273 0.091563 -0.116234 0.125353 0.114346 11H 1py 0.119331 0.033236 -0.076024 0.078739 -0.106614 -0.071465 12H 1s 0.096697 0.017134 -0.046123 0.017642 -0.014700 0.018308 12H 2s 0.010051 -0.002276 -0.116700 0.044322 0.372110 0.102583 12H 3s -0.003369 0.007485 0.096131 -0.103068 -0.122831 0.029382 12H 1pz 0.107285 0.051026 -0.106926 0.081982 -0.068066 -0.039533 12H 1px 0.022269 0.014170 -0.026452 0.018187 0.078270 0.024617 12H 1py 0.014380 -0.006622 -0.077774 0.040101 0.167420 0.035559 13H 1s -0.034594 -0.083112 -0.081709 0.015651 -0.056077 0.059813 13H 2s -0.482229 0.033955 -0.505100 0.373112 -0.244103 0.520569 13H 3s 0.199036 -0.002382 0.237539 -0.214042 0.178738 -0.331248 13H 1pz -0.204258 0.028920 -0.194332 0.152150 -0.107816 0.194646 13H 1px 0.096162 -0.057660 0.104729 -0.092927 0.015396 -0.118848 13H 1py 0.198668 0.062442 0.188603 -0.129132 0.133947 -0.161263 14H 1s -0.081622 -0.040201 -0.075116 0.018706 -0.040558 0.018735 14H 2s 0.174184 -0.326714 0.019346 -0.069370 -0.094829 0.254784 14H 3s -0.092619 0.140487 0.050987 -0.032066 0.055270 -0.189134 14H 1pz 0.065725 -0.118896 -0.012823 -0.020923 -0.040039 0.107423 14H 1px 0.072220 -0.146922 0.017630 -0.028566 -0.048990 0.106148 14H 1py 0.062643 0.082889 0.124157 -0.049687 0.025139 -0.051453 15H 1s -0.078317 -0.080299 -0.066268 0.002202 -0.018967 -0.039487 15H 2s 0.203242 0.173643 0.462035 -0.251270 0.238244 -0.854956 15H 3s -0.080079 -0.096313 -0.166382 0.080088 -0.048325 0.256317 15H 1pz -0.104013 -0.068630 -0.191829 0.099795 -0.089344 0.257156 15H 1px -0.009920 0.019057 0.035571 -0.021087 0.006692 -0.084839 15H 1py -0.087507 -0.063911 -0.163910 0.099893 -0.083940 0.319707 16H 1s 0.064941 -0.309923 0.180535 -0.341389 -0.059951 -0.048105 16H 2s 0.189358 -0.523602 0.083702 -0.567142 -0.128959 -0.190719 16H 3s -0.072056 0.209136 -0.034865 0.216339 -0.029592 -0.013831 16H 1pz 0.100987 -0.391211 0.198173 -0.422746 -0.104448 -0.122339 16H 1px -0.008690 0.027039 -0.002544 0.038143 0.014181 0.015022 16H 1py 0.071973 -0.222358 0.099555 -0.250197 -0.019093 -0.026784 17H 1s -0.138155 0.362444 0.039258 0.377779 -0.028111 -0.054406 17H 2s -0.272283 0.528754 -0.149668 0.647927 -0.086564 -0.192341 17H 3s 0.066883 -0.219403 0.042662 -0.218366 -0.039256 -0.007560 17H 1pz 0.132149 -0.280309 -0.019865 -0.297910 0.041439 0.081070 17H 1px 0.138160 -0.288404 -0.002995 -0.326678 0.051235 0.092365 17H 1py -0.130396 0.319990 0.002544 0.345860 -0.008782 -0.045856 18H 1s -0.139371 0.364040 0.042490 -0.377513 -0.004962 0.053382 18H 2s -0.269065 0.530604 -0.141784 -0.657125 -0.044045 0.211807 18H 3s 0.068757 -0.220344 0.039895 0.215731 -0.052237 0.005788 18H 1pz -0.135858 0.289743 0.022780 -0.309869 -0.022724 0.083751 18H 1px -0.138142 0.290662 0.006184 -0.330953 -0.030043 0.097166 18H 1py 0.127087 -0.313411 -0.005411 0.336578 -0.013456 -0.043893 19H 1s 0.065056 -0.309831 0.176395 0.335761 -0.080240 0.037550 19H 2s 0.193487 -0.524426 0.076165 0.550791 -0.161503 0.192900 19H 3s -0.071294 0.208876 -0.032349 -0.216461 -0.017430 0.016244 19H 1pz -0.100712 0.386012 -0.190557 -0.406320 0.127731 -0.112732 19H 1px 0.010001 -0.030582 0.003697 0.040733 -0.017673 0.016693 19H 1py -0.074296 0.230233 -0.100341 -0.255718 0.037027 -0.023265 20H 1s -0.075551 -0.080871 -0.066236 -0.005240 -0.019879 0.041384 20H 2s 0.194462 0.174884 0.457739 0.264520 0.214001 0.864116 20H 3s -0.076877 -0.095098 -0.166092 -0.082346 -0.040239 -0.256284 20H 1pz 0.100759 0.069237 0.190744 0.105864 0.081138 0.257443 20H 1px 0.009615 -0.018922 -0.037069 -0.022118 -0.005149 -0.090824 20H 1py 0.082979 0.064278 0.161659 0.103892 0.073382 0.323756 21H 1s -0.079288 -0.041730 -0.074160 -0.022109 -0.039777 -0.012918 21H 2s 0.175792 -0.314338 0.023285 0.070974 -0.094139 -0.232062 21H 3s -0.092668 0.135155 0.047758 0.032263 0.050888 0.182630 21H 1pz -0.066351 0.115182 0.011457 -0.020631 0.040139 0.102812 21H 1px -0.072488 0.140688 -0.019008 -0.028510 0.048390 0.095966 21H 1py -0.059517 -0.083264 -0.123529 -0.052985 -0.021840 -0.054172 22H 1s -0.033075 -0.082683 -0.081837 -0.020716 -0.055240 -0.060169 22H 2s -0.470771 0.018500 -0.504074 -0.398291 -0.217183 -0.548559 22H 3s 0.194369 0.005674 0.236032 0.229616 0.163357 0.343153 22H 1pz 0.198575 -0.021720 0.192519 0.161935 0.096601 0.202620 22H 1px -0.094408 0.053791 -0.105560 -0.096117 -0.008537 -0.130949 22H 1py -0.193883 -0.066785 -0.188558 -0.142270 -0.124800 -0.167691 23H 1s 0.096974 0.018934 -0.045014 -0.019187 -0.013453 -0.018878 23H 2s -0.004619 -0.011902 -0.103102 -0.005136 0.388597 -0.135549 23H 3s 0.002024 0.010874 0.089627 0.089486 -0.136016 -0.013654 23H 1pz -0.106029 -0.051281 0.107075 0.084888 0.060448 -0.040225 23H 1px -0.019538 -0.012725 0.023348 0.010084 -0.080004 0.031446 23H 1py -0.006855 0.011570 0.071545 0.021819 -0.178011 0.051331 24H 1s 0.115056 0.039085 -0.072506 -0.043745 0.005761 -0.038951 24H 2s -0.268341 -0.184471 0.247442 0.389614 0.327702 -0.278683 24H 3s 0.103337 0.095081 -0.089659 -0.060729 -0.080248 0.091438 24H 1pz 0.080039 0.078585 -0.056299 -0.125737 -0.090655 0.080910 24H 1px 0.092702 0.065563 -0.091510 -0.124832 -0.113087 0.107207 24H 1py -0.116818 -0.035994 0.073712 0.085142 0.098075 -0.066671 25H 1s 0.108536 -0.018728 -0.094536 -0.060389 -0.044674 0.048026 25H 2s 0.461362 0.183081 -0.182069 -0.440174 -0.685700 0.437136 25H 3s -0.229365 -0.052862 0.155628 0.304247 0.297720 -0.248045 25H 1pz -0.258820 -0.070647 0.113554 0.217756 0.256962 -0.167595 25H 1px 0.098367 0.073771 -0.014203 -0.122556 -0.265153 0.172212 25H 1py -0.115729 -0.016364 0.042576 0.089021 0.118187 -0.067250 26O 1s -0.001417 0.000548 -0.001499 -0.007876 0.005839 0.004842 26O 2s -0.002053 0.000290 -0.006730 -0.022475 0.015003 0.010619 26O 3s -0.086034 0.032707 0.106884 0.042727 0.008994 0.083273 26O 4s 0.608517 -0.210519 -0.514995 0.452913 -0.496572 -0.811367 26O 5s 0.512802 0.516204 0.493958 0.940242 -0.947756 -0.687502 26O 1pz 0.020845 -0.073748 -0.021924 -0.003131 0.102101 0.026938 26O 1px 0.011851 0.044813 0.019351 -0.022033 0.019002 0.025029 26O 1py -0.000511 -0.053387 0.029751 -0.031761 0.041426 0.024815 26O 2pz -0.145189 0.166320 0.102789 -0.103166 -0.179026 0.034595 26O 2px -0.409082 -0.049536 0.081904 -0.441479 0.388473 0.498938 26O 2py -0.171571 0.171416 -0.031446 -0.157728 0.127140 0.215247 26O 3pz 0.007780 -0.051043 0.434205 -0.116899 0.109843 0.227336 26O 3px -0.280610 -0.058005 0.408119 -0.460963 0.440488 0.475388 26O 3py -0.113861 0.052834 0.272796 -0.252045 0.389685 0.265707 26O 1dz2 0.005895 -0.003620 0.009016 0.010724 -0.017776 -0.009256 26O 1dxz -0.003200 0.001993 0.004557 -0.003881 0.011710 0.012535 26O 1dyz -0.002374 0.005492 0.002458 -0.001159 0.013094 0.004612 26O 1dx2y2 -0.006445 -0.004109 0.003712 -0.009354 0.007258 0.014990 26O 1dxy -0.003580 -0.001833 0.004778 -0.009258 0.012793 0.017004 26O 2dz2 -0.084091 -0.010377 0.054983 -0.098053 0.098510 0.137873 26O 2dxz 0.036646 -0.037292 -0.048564 0.068573 0.024537 -0.049094 26O 2dyz -0.025041 -0.024002 0.009750 0.002901 0.072665 0.011844 26O 2dx2y2 0.131699 0.059739 -0.085666 0.131162 -0.073895 -0.103325 26O 2dxy 0.064381 -0.107252 0.052740 0.093324 -0.154956 -0.138432 26O 1f0 0.019895 0.000397 -0.008122 0.007702 -0.007799 0.005555 26O 1f+1 0.010200 -0.027390 -0.000851 -0.001333 0.011970 0.001869 26O 1f-1 -0.013130 -0.016098 0.006143 -0.015313 0.020532 0.013107 26O 1f+2 -0.018599 0.008291 0.017211 0.003515 -0.021531 -0.015685 26O 1f-2 -0.016727 -0.014821 0.000343 -0.010317 0.039358 0.019331 26O 1f+3 -0.029724 -0.018308 0.024120 -0.009874 0.000956 -0.003216 26O 1f-3 0.013080 0.002713 -0.018119 0.022285 -0.002168 -0.018304 27O 1s 0.001816 0.000499 0.000141 -0.002770 0.003394 -0.007352 27O 2s 0.004438 0.001856 -0.001647 -0.004713 0.006861 -0.018985 27O 3s 0.026572 0.019454 0.071674 -0.077330 0.092876 -0.020765 27O 4s -0.306801 -0.217994 -0.474224 0.589567 -0.749411 0.740105 27O 5s -0.734213 -0.300274 0.112113 0.339890 -0.618907 0.702659 27O 1pz 0.021433 0.009053 0.064278 -0.008308 -0.039826 -0.025327 27O 1px -0.033012 0.035028 0.017528 0.004533 0.040045 -0.058076 27O 1py -0.046331 0.051977 -0.069177 0.025713 0.029418 0.008763 27O 2pz -0.048841 -0.034858 -0.179908 0.043876 0.097821 0.085202 27O 2px 0.356467 0.105046 0.099623 -0.378102 0.488283 -0.467515 27O 2py 0.042535 -0.242342 0.117587 0.009305 -0.228706 0.138480 27O 3pz 0.037374 -0.127907 0.129331 -0.025012 0.036987 -0.124446 27O 3px 0.156035 0.229454 0.419379 -0.252139 0.486375 -0.590488 27O 3py 0.105836 -0.090819 -0.448528 0.148162 -0.034487 0.333322 27O 1dz2 0.002658 -0.006195 -0.011637 0.009592 0.004223 0.007603 27O 1dxz -0.003305 -0.004349 0.000862 0.001543 -0.005101 -0.000834 27O 1dyz -0.003053 0.008686 -0.011376 0.007156 0.003642 0.008374 27O 1dx2y2 0.010834 -0.001646 0.001504 -0.007993 0.016751 -0.019165 27O 1dxy -0.005451 0.005775 -0.013774 0.010326 -0.002488 0.014324 27O 2dz2 0.074293 -0.002154 -0.023322 -0.056526 0.142329 -0.083473 27O 2dxz 0.010419 0.111124 0.112634 -0.025585 -0.041008 -0.051226 27O 2dyz -0.038811 -0.014904 -0.084792 0.052431 -0.016534 0.063870 27O 2dx2y2 -0.109753 -0.014513 -0.056212 0.141782 -0.172552 0.157292 27O 2dxy -0.056946 0.108889 -0.042048 -0.012033 0.090617 -0.099659 27O 1f0 -0.021954 -0.032143 -0.022001 0.009639 -0.020303 0.006142 27O 1f+1 0.010591 -0.021969 -0.007099 0.004197 -0.011198 0.035008 27O 1f-1 0.002122 -0.002314 0.001764 -0.009902 -0.000394 0.011154 27O 1f+2 0.000387 0.013079 0.015227 0.000496 -0.008556 0.001634 27O 1f-2 -0.017873 0.015320 -0.015085 0.020088 -0.001542 0.016543 27O 1f+3 0.014868 -0.004967 0.021814 -0.011295 -0.008170 -0.009139 27O 1f-3 0.026913 0.011736 0.015537 -0.009468 0.028149 -0.008968 28O 1s -0.005198 -0.001422 0.000741 -0.003881 0.006457 0.005310 28O 2s -0.016240 -0.005505 0.001677 -0.008224 0.018088 0.013630 28O 3s 0.070221 0.019135 0.024391 -0.058014 -0.012822 0.018568 28O 4s 0.090004 0.100813 -0.320304 0.571934 -0.445249 -0.485675 28O 5s 0.688043 0.455535 0.234275 0.154339 -0.616461 -0.607338 28O 1pz -0.074868 0.027491 0.070060 -0.019520 -0.009355 0.041844 28O 1px -0.010335 0.038798 -0.009497 0.032009 -0.109242 -0.044881 28O 1py -0.060693 0.053971 0.020183 -0.002007 -0.021205 -0.017179 28O 2pz 0.003243 -0.235297 -0.110525 -0.175181 0.387886 0.163801 28O 2px 0.186448 0.038176 -0.064679 0.226696 -0.122065 -0.248330 28O 2py 0.112603 -0.200060 -0.023606 -0.027860 0.106002 0.080576 28O 3pz -0.226898 0.150429 0.416906 -0.289572 0.301241 0.413180 28O 3px 0.184668 0.156584 -0.201165 0.190317 -0.314915 -0.292960 28O 3py -0.085846 0.039956 0.345382 -0.152663 -0.107374 0.118157 28O 1dz2 -0.002932 0.009366 -0.000534 0.001773 -0.005900 -0.002892 28O 1dxz 0.012561 0.003620 -0.007619 0.011784 -0.006643 -0.012364 28O 1dyz -0.006956 0.009360 0.009887 -0.011702 -0.008331 0.002742 28O 1dx2y2 -0.012190 0.005217 -0.002246 -0.011638 0.023582 0.013080 28O 1dxy -0.004730 -0.000623 0.006086 -0.006046 -0.000255 0.006411 28O 2dz2 -0.066136 0.034078 0.082707 -0.037604 -0.046456 0.034892 28O 2dxz -0.011808 -0.014503 -0.041396 -0.097589 0.170532 0.113527 28O 2dyz -0.080785 0.075919 0.045064 -0.051052 0.010956 0.010094 28O 2dx2y2 0.076212 0.032438 -0.068092 0.099667 -0.048189 -0.098235 28O 2dxy 0.056932 -0.065547 0.033714 -0.022767 -0.041823 0.038390 28O 1f0 -0.000934 0.020767 -0.009409 -0.000220 -0.002468 0.001984 28O 1f+1 0.029744 0.020076 -0.026287 0.025272 -0.033127 -0.017508 28O 1f-1 -0.013540 -0.003320 0.003343 -0.013966 0.013372 0.016290 28O 1f+2 0.009961 -0.012487 -0.000795 0.005731 0.013633 0.015099 28O 1f-2 0.011769 -0.013293 -0.005469 0.011914 -0.005169 -0.007740 28O 1f+3 0.020333 0.007318 -0.020345 0.005214 0.011496 0.000773 28O 1f-3 0.028182 0.015434 -0.011687 0.008432 -0.038408 -0.005212 29O 1s 0.003400 -0.003214 -0.013646 -0.001395 0.002167 0.001422 29O 2s 0.013411 -0.012266 -0.051871 -0.005773 0.009228 0.007765 29O 3s -0.140947 0.121563 0.509070 0.066306 -0.111822 -0.125558 29O 4s 0.331144 -0.290527 -1.212393 -0.160489 0.226373 0.324586 29O 5s -0.226423 0.297522 1.295063 0.057927 0.228722 0.123991 29O 1pz -0.062424 0.229976 -0.064012 0.243213 0.013952 0.015687 29O 1px -0.037073 0.097529 0.013617 0.101049 0.011256 -0.032428 29O 1py 0.035204 -0.029553 -0.047978 -0.032181 0.056435 0.069744 29O 2pz 0.337138 -1.058035 0.273136 -1.135709 -0.074630 -0.062868 29O 2px 0.176679 -0.425212 0.002765 -0.458821 0.000853 0.132073 29O 2py -0.133620 0.141206 0.180858 0.153768 -0.172889 -0.237635 29O 3pz -0.015128 0.131389 0.100863 0.084461 0.000873 -0.013203 29O 3px 0.084195 -0.045396 -0.386209 -0.004166 0.020668 0.024794 29O 3py 0.032624 -0.046338 -0.200698 -0.005147 0.002615 -0.039381 29O 1dz2 -0.003320 0.001531 0.002205 -0.000122 -0.001339 -0.002095 29O 1dxz 0.006418 -0.007715 -0.005992 -0.004389 0.002422 0.001949 29O 1dyz 0.005775 -0.018504 0.003525 -0.014959 -0.004548 -0.003968 29O 1dx2y2 -0.003676 -0.000320 0.020488 0.000471 -0.009819 -0.009489 29O 1dxy 0.007351 -0.005854 -0.004618 -0.005303 0.011370 0.012302 29O 2dz2 -0.083163 0.276043 -0.127707 0.299397 0.046545 0.054214 29O 2dxz 0.132413 -0.306193 -0.004774 -0.323103 0.023729 0.055418 29O 2dyz -0.145596 0.415760 -0.103012 0.464101 0.020569 -0.000029 29O 2dx2y2 0.010891 -0.077942 0.078175 -0.082213 -0.040629 -0.046503 29O 2dxy -0.085663 0.209979 0.009318 0.229564 -0.004628 -0.028926 29O 1f0 -0.006343 0.026248 -0.025291 0.030777 0.003962 0.005373 29O 1f+1 -0.019447 0.040915 0.001584 0.041588 0.002367 -0.000868 29O 1f-1 -0.007767 0.046676 -0.029865 0.050420 0.015090 0.012994 29O 1f+2 0.010203 -0.020686 0.008136 -0.021202 0.004761 0.002530 29O 1f-2 0.026263 -0.085865 0.011528 -0.090498 -0.006657 0.000356 29O 1f+3 -0.008767 0.025216 -0.008684 0.025697 0.005938 0.002338 29O 1f-3 -0.022806 0.042026 0.013585 0.044046 -0.021850 -0.021723 30O 1s 0.005136 0.000823 0.002408 -0.007766 0.005091 -0.006585 30O 2s 0.016311 0.002968 0.005741 -0.023612 0.014491 -0.017841 30O 3s -0.070029 -0.012584 0.051448 0.087219 -0.042539 0.009151 30O 4s -0.059992 -0.055369 -0.608189 0.212080 -0.126882 0.502038 30O 5s -0.756307 -0.495425 0.293760 0.737617 -0.677264 0.359079 30O 1pz 0.033336 0.019874 0.013690 -0.014121 0.067286 -0.032430 30O 1px -0.020789 0.061904 -0.087014 0.051673 0.017167 0.060639 30O 1py 0.010106 -0.084468 0.007708 0.010395 -0.078744 0.031988 30O 2pz 0.051323 0.012795 0.136786 -0.181705 -0.037118 -0.154284 30O 2px -0.111664 -0.193812 0.001838 0.137317 -0.222632 0.181892 30O 2py -0.234630 0.153223 -0.210382 0.217457 0.028436 0.153288 30O 3pz -0.095727 0.305616 0.414541 -0.184177 0.179361 -0.351710 30O 3px -0.178808 -0.090542 -0.172549 0.267039 -0.227721 0.200810 30O 3py 0.007622 -0.184922 -0.393881 0.217581 -0.374087 0.368893 30O 1dz2 -0.008574 0.001236 -0.003282 0.006302 -0.007393 0.000975 30O 1dxz -0.012337 0.003973 -0.000951 0.009181 -0.015947 0.008321 30O 1dyz -0.001412 -0.006688 -0.009100 0.001593 -0.006594 0.011894 30O 1dx2y2 0.002579 0.007122 0.006388 -0.007979 0.002531 -0.016426 30O 1dxy 0.005054 0.007520 0.003618 -0.011107 0.008131 -0.007443 30O 2dz2 0.084211 -0.007883 0.014307 -0.008757 0.059384 -0.029458 30O 2dxz -0.032082 0.082802 0.059575 -0.069211 0.016434 -0.101213 30O 2dyz 0.017080 -0.068333 -0.006718 -0.054423 -0.017398 -0.004106 30O 2dx2y2 -0.020993 -0.077882 -0.020921 0.021626 -0.080058 0.055814 30O 2dxy -0.084753 0.043196 -0.037381 0.069484 -0.097176 0.092770 30O 1f0 -0.011784 0.006620 -0.002909 0.013790 -0.021468 0.031394 30O 1f+1 -0.034453 -0.000205 -0.033587 0.013361 -0.008579 0.005566 30O 1f-1 -0.002827 -0.019483 -0.005815 0.001027 -0.013618 0.014504 30O 1f+2 -0.008144 -0.036857 -0.009377 0.008184 -0.021188 0.009698 30O 1f-2 0.004310 -0.001903 0.015442 -0.012390 -0.001301 -0.006268 30O 1f+3 -0.022324 -0.007630 -0.038309 0.004614 -0.003797 0.023175 30O 1f-3 0.007717 -0.000172 0.033561 -0.013048 -0.022352 -0.000483 31O 1s 0.005005 0.001028 0.002349 0.008097 0.004515 0.006879 31O 2s 0.015894 0.003654 0.005582 0.024537 0.012771 0.018696 31O 3s -0.068170 -0.017367 0.051452 -0.088991 -0.036905 -0.010802 31O 4s -0.058217 -0.046729 -0.603830 -0.225335 -0.108007 -0.510754 31O 5s -0.742266 -0.511231 0.299780 -0.784725 -0.619757 -0.416974 31O 1pz -0.032478 -0.021599 -0.013178 -0.019064 -0.066487 -0.031926 31O 1px 0.020040 -0.059820 0.087128 0.051073 -0.020201 0.066503 31O 1py -0.009649 0.083288 -0.007181 0.016227 0.078540 0.031017 31O 2pz -0.050480 -0.010033 -0.135917 -0.180328 0.051874 -0.169134 31O 2px 0.109421 0.190178 -0.005186 0.152615 0.209103 0.186012 31O 2py 0.228798 -0.147918 0.205845 0.216117 -0.046503 0.168312 31O 3pz 0.093283 -0.302907 -0.414682 -0.201092 -0.167638 -0.350144 31O 3px 0.175957 0.095893 0.170658 0.285127 0.208994 0.220816 31O 3py -0.005244 0.183415 0.393148 0.247930 0.359076 0.360103 31O 1dz2 -0.008224 0.000911 -0.003179 -0.006917 -0.006790 -0.001026 31O 1dxz -0.012220 0.003913 -0.000816 -0.010392 -0.015178 -0.008807 31O 1dyz -0.001405 -0.006517 -0.009108 -0.001905 -0.006398 -0.010829 31O 1dx2y2 0.002496 0.006974 0.006398 0.008291 0.001953 0.017817 31O 1dxy 0.004910 0.007469 0.003401 0.011629 0.007172 0.007914 31O 2dz2 0.082639 -0.007570 0.013280 0.012572 0.058897 0.029882 31O 2dxz -0.031882 0.080557 0.059617 0.071158 0.010886 0.109305 31O 2dyz 0.016817 -0.066002 -0.007659 0.053340 -0.021459 0.010780 31O 2dx2y2 -0.020485 -0.077214 -0.021058 -0.028390 -0.077903 -0.056669 31O 2dxy -0.082970 0.042726 -0.035442 -0.076051 -0.090890 -0.096981 31O 1f0 0.011840 -0.006379 0.002669 0.015249 0.020328 0.032284 31O 1f+1 0.033491 0.000902 0.033356 0.014440 0.007769 0.005840 31O 1f-1 0.002531 0.019300 0.005584 0.002022 0.013359 0.014861 31O 1f+2 0.007767 0.036393 0.009392 0.010144 0.020566 0.010781 31O 1f-2 -0.004034 0.001627 -0.015509 -0.012362 0.002217 -0.007257 31O 1f+3 0.021745 0.008115 0.038305 0.005328 0.003689 0.023169 31O 1f-3 -0.007345 -0.000460 -0.033657 -0.011890 0.022929 -0.001957 32O 1s 0.003564 -0.003355 -0.013611 0.001526 0.002084 -0.000502 32O 2s 0.013971 -0.012788 -0.051732 0.006363 0.008861 -0.004407 32O 3s -0.145360 0.126547 0.507628 -0.074244 -0.107058 0.094919 32O 4s 0.340150 -0.301721 -1.208935 0.176862 0.214533 -0.255492 32O 5s -0.241807 0.306723 1.292305 -0.033073 0.228724 -0.202332 32O 1pz 0.063980 -0.231518 0.060168 0.242035 -0.027352 0.010799 32O 1px 0.036941 -0.096933 -0.015088 0.099156 -0.017227 -0.034079 32O 1py -0.032999 0.023422 0.049291 -0.028738 -0.054670 0.070209 32O 2pz -0.343388 1.064875 -0.256065 -1.129833 0.139050 -0.041613 32O 2px -0.175876 0.422885 0.004104 -0.454608 0.026601 0.141149 32O 2py 0.123616 -0.115070 -0.187181 0.135821 0.164774 -0.236157 32O 3pz 0.016955 -0.132671 -0.102834 0.083507 -0.004738 -0.007703 32O 3px -0.085068 0.047904 0.384400 -0.004975 -0.020385 0.002560 32O 3py -0.036788 0.044771 0.200957 0.000523 -0.003647 -0.052047 32O 1dz2 -0.003513 0.002061 0.002051 -0.000480 -0.001139 0.001861 32O 1dxz 0.006251 -0.007464 -0.005923 0.004299 0.002055 -0.001498 32O 1dyz 0.005842 -0.018618 0.003800 0.014692 -0.005536 0.004407 32O 1dx2y2 -0.003647 0.000052 0.020379 -0.001391 -0.009694 0.008597 32O 1dxy 0.007120 -0.005814 -0.004464 0.005872 0.010895 -0.013056 32O 2dz2 -0.077038 0.256585 -0.119837 -0.273208 0.062094 -0.048245 32O 2dxz 0.136445 -0.317705 -0.006194 0.335082 0.002699 -0.057661 32O 2dyz -0.148170 0.423717 -0.100910 -0.468024 0.050342 0.006746 32O 2dx2y2 0.015874 -0.089625 0.079050 0.091645 -0.046264 0.043108 32O 2dxy -0.082687 0.201135 0.013069 -0.219473 0.008866 0.027353 32O 1f0 0.006063 -0.024127 0.023057 0.028143 -0.004905 0.003016 32O 1f+1 0.020425 -0.043322 -0.002348 0.043650 -0.005100 -0.000945 32O 1f-1 0.007809 -0.046976 0.030221 0.049798 -0.018381 0.012015 32O 1f+2 -0.009521 0.020157 -0.009154 -0.020880 -0.002548 0.002478 32O 1f-2 -0.026512 0.086317 -0.011183 -0.089818 0.012111 0.000582 32O 1f+3 0.007792 -0.022142 0.008337 0.021894 -0.007582 0.002370 32O 1f-3 0.022723 -0.042493 -0.013543 0.045369 0.019015 -0.022750 33O 1s -0.005288 -0.001660 0.000800 0.004435 0.006078 -0.005059 33O 2s -0.016514 -0.006270 0.001885 0.009830 0.017206 -0.013009 33O 3s 0.071478 0.023779 0.022750 0.054461 -0.016162 -0.017763 33O 4s 0.090926 0.094228 -0.316545 -0.596936 -0.399892 0.472324 33O 5s 0.695343 0.473074 0.230760 -0.197888 -0.597163 0.543351 33O 1pz 0.075403 -0.027859 -0.070244 -0.018911 0.011606 0.039224 33O 1px 0.009705 -0.041303 0.010625 0.040588 0.106174 -0.044339 33O 1py 0.059048 -0.053629 -0.019981 -0.000450 0.021175 -0.017260 33O 2pz -0.003240 0.240070 0.111180 -0.201963 -0.373919 0.154316 33O 2px -0.188035 -0.035043 0.062270 0.232469 0.103077 -0.231505 33O 2py -0.107119 0.200363 0.022665 -0.035499 -0.103083 0.076314 33O 3pz 0.230443 -0.150107 -0.418651 -0.307897 -0.274439 0.413155 33O 3px -0.186485 -0.162024 0.203213 0.213082 0.297834 -0.275917 33O 3py 0.085844 -0.045029 -0.345256 -0.146207 0.120295 0.117395 33O 1dz2 -0.002696 0.009046 -0.000607 -0.002190 -0.005563 0.002437 33O 1dxz 0.012531 0.003707 -0.007544 -0.012351 -0.005647 0.011077 33O 1dyz -0.007137 0.009480 0.009820 0.011256 -0.009197 -0.002999 33O 1dx2y2 -0.012235 0.004909 -0.002063 0.013223 0.022665 -0.013005 33O 1dxy -0.004707 -0.000760 0.006136 0.006048 -0.000721 -0.006402 33O 2dz2 -0.067272 0.034398 0.083306 0.033783 -0.049098 -0.035320 33O 2dxz -0.011981 -0.016017 -0.041915 0.109018 0.162564 -0.106029 33O 2dyz -0.078774 0.077348 0.044161 0.051708 0.007210 -0.014397 33O 2dx2y2 0.076630 0.031105 -0.067586 -0.102836 -0.039403 0.091645 33O 2dxy 0.054803 -0.064142 0.033894 0.019452 -0.044460 -0.032723 33O 1f0 0.001325 -0.020958 0.009486 -0.000011 0.002334 0.001815 33O 1f+1 -0.029878 -0.020585 0.026354 0.027483 0.030813 -0.016908 33O 1f-1 0.013135 0.003185 -0.003091 -0.014621 -0.012209 0.014585 33O 1f+2 -0.009328 0.012806 0.000327 0.004461 -0.014006 0.015758 33O 1f-2 -0.011319 0.013188 0.005344 0.012150 0.004202 -0.007834 33O 1f+3 -0.019890 -0.007121 0.020339 0.004244 -0.011868 0.000460 33O 1f-3 -0.028211 -0.016458 0.011808 0.011289 0.037876 -0.006106 34O 1s 0.001735 0.000410 0.000119 0.003001 0.003096 0.007754 34O 2s 0.004197 0.001470 -0.001672 0.005162 0.006200 0.020099 34O 3s 0.027372 0.024343 0.070642 0.084562 0.088943 0.017688 34O 4s -0.303823 -0.236367 -0.467499 -0.646426 -0.706960 -0.746225 34O 5s -0.721021 -0.297002 0.109414 -0.390737 -0.581110 -0.782472 34O 1pz -0.020839 -0.008371 -0.064272 -0.006395 0.039795 -0.028657 34O 1px 0.033086 -0.033274 -0.017134 0.002116 -0.039691 -0.058308 34O 1py 0.044983 -0.049854 0.068782 0.024618 -0.031499 0.013594 34O 2pz 0.047217 0.033071 0.179489 0.038765 -0.099077 0.093874 34O 2px -0.351951 -0.115410 -0.097038 -0.416033 -0.457898 -0.490807 34O 2py -0.040820 0.237606 -0.116833 0.024352 0.227250 0.134993 34O 3pz -0.039172 0.122761 -0.126817 -0.026167 -0.036115 -0.119689 34O 3px -0.153693 -0.236263 -0.417522 -0.289437 -0.465429 -0.602101 34O 3py -0.103040 0.096615 0.445523 0.152673 0.024992 0.327648 34O 1dz2 0.002707 -0.006090 -0.011581 -0.009482 0.004859 -0.008234 34O 1dxz -0.003223 -0.004123 0.000920 -0.001844 -0.004975 0.001164 34O 1dyz -0.002982 0.008405 -0.011234 -0.006795 0.004042 -0.007955 34O 1dx2y2 0.010657 -0.001188 0.001303 0.009086 0.015873 0.020184 34O 1dxy -0.005290 0.005695 -0.013747 -0.010626 -0.001751 -0.015310 34O 2dz2 0.073096 0.000344 -0.024161 0.066331 0.137098 0.088653 34O 2dxz 0.008904 0.110577 0.111911 0.023128 -0.042133 0.053081 34O 2dyz -0.037807 -0.017367 -0.083955 -0.053907 -0.013207 -0.064631 34O 2dx2y2 -0.108372 -0.018131 -0.055070 -0.155414 -0.161910 -0.164755 34O 2dxy -0.056164 0.106592 -0.041500 0.018025 0.089134 0.105760 34O 1f0 0.021214 0.032078 0.021882 0.011433 0.019624 0.006346 34O 1f+1 -0.010399 0.021751 0.007133 0.004890 0.010640 0.035581 34O 1f-1 -0.002023 0.002164 -0.001891 -0.009961 0.001139 0.010443 34O 1f+2 -0.000013 -0.012739 -0.015067 0.001197 0.008352 0.002929 34O 1f-2 0.017549 -0.014538 0.015002 0.020442 0.000189 0.019158 34O 1f+3 -0.014625 0.003987 -0.021775 -0.011063 0.008652 -0.010383 34O 1f-3 -0.026237 -0.011855 -0.015254 -0.011609 -0.027448 -0.007510 35O 1s -0.001442 0.000568 -0.001538 0.008243 0.005192 -0.004488 35O 2s -0.002101 0.000476 -0.006897 0.023324 0.013183 -0.009622 35O 3s -0.086335 0.028035 0.108853 -0.039514 0.011799 -0.085140 35O 4s 0.611743 -0.186526 -0.522025 -0.496563 -0.455667 0.799374 35O 5s 0.520746 0.519712 0.492780 -1.002353 -0.878610 0.611780 35O 1pz -0.019884 0.075846 0.020618 -0.010873 -0.102167 0.028819 35O 1px -0.012262 -0.045737 -0.019425 -0.022872 -0.016887 0.024246 35O 1py -0.000866 0.052389 -0.029220 -0.034351 -0.038476 0.023755 35O 2pz 0.142241 -0.170596 -0.099416 -0.088185 0.188542 0.025525 35O 2px 0.411496 0.062728 -0.083432 -0.471726 -0.352060 0.474501 35O 2py 0.177894 -0.163805 0.028473 -0.168341 -0.115396 0.207011 35O 3pz -0.004464 0.055178 -0.437631 -0.128315 -0.097404 0.244185 35O 3px 0.287628 0.061263 -0.410696 -0.494938 -0.402880 0.464821 35O 3py 0.116090 -0.047045 -0.276990 -0.282003 -0.369028 0.282505 35O 1dz2 0.005833 -0.003170 0.009032 -0.011865 -0.016773 0.008607 35O 1dxz -0.003287 0.002116 0.004661 0.004744 0.011248 -0.012797 35O 1dyz -0.002319 0.005223 0.002619 0.002158 0.012789 -0.005431 35O 1dx2y2 -0.006342 -0.004136 0.003523 0.009683 0.006283 -0.014177 35O 1dxy -0.003816 -0.002192 0.004935 0.010328 0.012085 -0.016607 35O 2dz2 -0.086553 -0.012765 0.056116 0.106264 0.090015 -0.132138 35O 2dxz 0.035149 -0.038137 -0.048408 -0.066760 0.030821 0.044017 35O 2dyz -0.025398 -0.027556 0.010623 0.002952 0.072991 -0.015775 35O 2dx2y2 0.129487 0.062984 -0.084965 -0.137022 -0.062660 0.094515 35O 2dxy 0.068200 -0.103760 0.050329 -0.105876 -0.148321 0.135119 35O 1f0 -0.019732 -0.000706 0.007823 0.008344 0.007366 0.005972 35O 1f+1 -0.009534 0.027849 0.000507 -0.002319 -0.011364 0.000870 35O 1f-1 0.013479 0.016612 -0.006325 -0.016615 -0.019119 0.012183 35O 1f+2 0.018211 -0.008550 -0.016905 0.005368 0.021224 -0.015393 35O 1f-2 0.016959 0.015726 -0.000660 -0.013314 -0.038792 0.019443 35O 1f+3 0.028984 0.018422 -0.023696 -0.009621 -0.000030 -0.003615 35O 1f-3 -0.012944 -0.002575 0.018017 0.022152 -0.000212 -0.016273 570 571 572 573 574 575 3.90681 3.92183 3.92438 3.93237 3.93763 3.94940 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s -0.018815 -0.002763 0.000680 -0.000562 -0.001231 -0.004602 0Rh 2s 0.165631 0.024846 -0.006508 0.005220 0.009555 0.038880 0Rh 3s -0.012559 -0.001533 0.000143 -0.000211 -0.001598 -0.004074 0Rh 4s -0.917450 -0.137708 0.036024 -0.028886 -0.053162 -0.216016 0Rh 5s 2.071106 0.313336 -0.083286 0.066217 0.115942 0.483753 0Rh 6s -1.898851 -0.296552 0.084344 -0.064621 -0.087495 -0.420188 0Rh 7s 1.981868 0.392960 -0.135368 0.104892 -0.083086 0.188939 0Rh 8s -0.248356 -0.064654 -0.008590 0.141782 0.074106 0.075448 0Rh 1pz 0.000831 0.000989 0.001907 -0.000048 0.000040 0.003047 0Rh 1px -0.004736 0.000325 0.001864 0.000893 -0.001739 -0.002830 0Rh 1py -0.000782 -0.000469 -0.001507 -0.004253 -0.001511 0.000134 0Rh 2pz -0.002974 -0.003836 -0.007354 0.000247 -0.000080 -0.011785 0Rh 2px 0.018030 -0.001237 -0.007290 -0.003227 0.006571 0.010708 0Rh 2py 0.003343 0.001789 0.005699 0.016282 0.005895 -0.000727 0Rh 3pz 0.001372 0.008152 0.014522 -0.001977 -0.001437 0.023487 0Rh 3px -0.032094 0.001864 0.016686 0.001905 -0.010179 -0.017249 0Rh 3py -0.014254 -0.003208 -0.008880 -0.030598 -0.013113 0.005987 0Rh 4pz 0.017948 -0.001417 0.002937 0.007722 0.006851 0.008851 0Rh 4px -0.012646 0.004836 -0.007700 0.019171 -0.014724 -0.017824 0Rh 4py 0.038236 -0.001465 -0.012755 -0.008195 0.004244 -0.020672 0Rh 5pz -0.027187 -0.009828 -0.034415 -0.021736 -0.012522 -0.096666 0Rh 5px 0.039783 -0.026504 -0.011464 -0.037134 0.056106 0.057893 0Rh 5py -0.092864 0.007972 0.047860 0.060193 0.014671 0.044927 0Rh 6pz -0.331581 -0.014579 -0.058994 0.198150 -0.012928 0.660251 0Rh 6px 0.563691 0.214617 0.002272 -0.212882 -0.142651 0.125612 0Rh 6py 0.119822 -0.112453 -0.052478 0.059582 -0.063218 -0.170836 0Rh 1dz2 0.009720 0.041717 0.001268 0.010960 0.002631 -0.014770 0Rh 1dxz 0.034831 0.026652 0.003824 -0.011411 -0.002634 0.073066 0Rh 1dyz -0.028369 -0.005401 0.015382 0.021092 -0.007600 0.068680 0Rh 1dx2y2 -0.056234 0.027377 0.009286 0.006788 -0.007162 0.026346 0Rh 1dxy 0.068517 0.010887 0.004743 -0.070941 -0.005371 0.004366 0Rh 2dz2 0.001509 0.006305 0.000207 0.001454 0.000520 -0.001941 0Rh 2dxz 0.005876 0.004030 0.000452 -0.001422 -0.000010 0.010093 0Rh 2dyz -0.004074 -0.001446 0.002639 0.003344 -0.000838 0.009184 0Rh 2dx2y2 -0.009405 0.004150 0.000989 0.000548 -0.001275 0.003009 0Rh 2dxy 0.009808 0.001201 0.000824 -0.009512 -0.000645 -0.000228 0Rh 3dz2 -0.042000 -0.184139 -0.005807 -0.047588 -0.012135 0.064270 0Rh 3dxz -0.155272 -0.117609 -0.016373 0.049221 0.009955 -0.319509 0Rh 3dyz 0.124220 0.026801 -0.069332 -0.093775 0.032231 -0.298939 0Rh 3dx2y2 0.249574 -0.121334 -0.038963 -0.027645 0.032450 -0.112762 0Rh 3dxy -0.299817 -0.046213 -0.021486 0.307837 0.022986 -0.015705 0Rh 4dz2 0.050915 0.254669 0.009103 0.066037 0.017424 -0.090026 0Rh 4dxz 0.210821 0.162043 0.022320 -0.066190 -0.011532 0.441442 0Rh 4dyz -0.172712 -0.040709 0.097782 0.130673 -0.043332 0.412901 0Rh 4dx2y2 -0.336451 0.170696 0.049731 0.032857 -0.046176 0.155983 0Rh 4dxy 0.416968 0.062515 0.031133 -0.418872 -0.030772 0.017768 0Rh 5dz2 0.033150 -0.199640 -0.006798 -0.072636 -0.009916 0.080386 0Rh 5dxz -0.091873 -0.115265 -0.022089 0.045660 0.007285 -0.349904 0Rh 5dyz 0.162873 0.012909 -0.062378 -0.111503 0.043280 -0.383081 0Rh 5dx2y2 0.153295 -0.158042 -0.018106 0.006701 0.037902 -0.168669 0Rh 5dxy -0.394868 -0.062795 -0.030186 0.332641 0.024400 -0.030688 0Rh 1f0 0.024369 0.001263 0.008547 0.004249 0.001578 -0.004321 0Rh 1f+1 -0.022824 -0.002795 0.005634 0.010890 -0.000443 -0.018676 0Rh 1f-1 -0.010693 0.002104 -0.001448 0.002057 -0.001671 0.005322 0Rh 1f+2 -0.022127 -0.002289 0.002955 0.005081 -0.003265 -0.008496 0Rh 1f-2 -0.021019 -0.004899 -0.001049 0.009459 -0.001791 0.004470 0Rh 1f+3 -0.026716 -0.008708 0.001416 0.004353 -0.002497 -0.011919 0Rh 1f-3 -0.038739 -0.002418 -0.007056 0.003649 -0.002533 -0.003163 1Rh 1s -0.018912 -0.002805 -0.000123 0.000803 -0.001235 -0.004487 1Rh 2s 0.166551 0.025280 0.001443 -0.007293 0.009612 0.037738 1Rh 3s -0.012585 -0.001526 0.000134 0.000402 -0.001587 -0.004069 1Rh 4s -0.922538 -0.140108 -0.007952 0.040390 -0.053481 -0.209692 1Rh 5s 2.082819 0.318978 0.019225 -0.092085 0.116763 0.468977 1Rh 6s -1.910542 -0.302634 -0.022909 0.087706 -0.088677 -0.404689 1Rh 7s 1.998346 0.403761 0.045813 -0.122775 -0.080581 0.163663 1Rh 8s -0.239988 -0.066657 0.026038 -0.142895 0.067209 0.083922 1Rh 1pz -0.000471 -0.000710 0.001986 0.000007 0.000076 -0.003510 1Rh 1px 0.004851 -0.000042 0.001960 0.000799 0.001876 0.002391 1Rh 1py 0.001256 0.000186 -0.001530 -0.004285 0.001373 -0.000209 1Rh 2pz 0.001582 0.002759 -0.007666 0.000040 -0.000372 0.013576 1Rh 2px -0.018493 0.000133 -0.007653 -0.002869 -0.007105 -0.008981 1Rh 2py -0.005156 -0.000711 0.005799 0.016412 -0.005367 0.001032 1Rh 3pz 0.001455 -0.005966 0.015293 -0.001702 0.002413 -0.027203 1Rh 3px 0.033495 0.000615 0.017210 0.001314 0.011365 0.013112 1Rh 3py 0.017616 0.001341 -0.009330 -0.030940 0.012132 -0.006923 1Rh 4pz -0.018015 0.001501 0.002235 0.008426 -0.007078 -0.008478 1Rh 4px 0.010659 -0.005833 -0.006381 0.018650 0.014242 0.020580 1Rh 4py -0.037051 0.000043 -0.011435 -0.007826 -0.004549 0.022017 1Rh 5pz 0.022953 0.005778 -0.033191 -0.024248 0.011262 0.101823 1Rh 5px -0.037848 0.024569 -0.017833 -0.035441 -0.056593 -0.057684 1Rh 5py 0.085338 -0.001491 0.044346 0.059873 -0.012697 -0.046360 1Rh 6pz 0.328254 0.007331 -0.078742 0.209730 0.012597 -0.646967 1Rh 6px -0.554004 -0.214982 0.044910 -0.206451 0.131736 -0.114208 1Rh 6py -0.135415 0.106673 -0.051344 0.054820 0.066884 0.173247 1Rh 1dz2 0.009971 0.041771 -0.005796 -0.010362 0.002782 -0.015825 1Rh 1dxz 0.032386 0.025218 -0.006441 0.009911 -0.003403 0.076817 1Rh 1dyz -0.026502 -0.007962 -0.012731 -0.021084 -0.009721 0.071695 1Rh 1dx2y2 -0.056314 0.025404 -0.010381 -0.006558 -0.008373 0.029252 1Rh 1dxy 0.061688 0.011391 -0.008080 0.070910 -0.003535 0.004775 1Rh 2dz2 0.001546 0.006289 -0.000895 -0.001372 0.000516 -0.002012 1Rh 2dxz 0.005564 0.003830 -0.000834 0.001184 -0.000120 0.010598 1Rh 2dyz -0.003764 -0.001854 -0.002200 -0.003360 -0.001165 0.009653 1Rh 2dx2y2 -0.009430 0.003908 -0.001164 -0.000492 -0.001431 0.003389 1Rh 2dxy 0.008900 0.001242 -0.001280 0.009490 -0.000417 -0.000156 1Rh 3dz2 -0.043094 -0.184249 0.025802 0.044974 -0.012671 0.068508 1Rh 3dxz -0.144761 -0.111356 0.027850 -0.042545 0.013330 -0.335867 1Rh 3dyz 0.115881 0.038192 0.057438 0.093811 0.041651 -0.312389 1Rh 3dx2y2 0.250003 -0.112910 0.043926 0.026553 0.037672 -0.125347 1Rh 3dxy -0.270347 -0.048262 0.036025 -0.307610 0.015104 -0.017584 1Rh 4dz2 0.052391 0.254557 -0.036676 -0.062343 0.017914 -0.095058 1Rh 4dxz 0.196848 0.153466 -0.037901 0.056863 -0.016218 0.464021 1Rh 4dyz -0.161026 -0.056526 -0.080947 -0.130787 -0.056554 0.432164 1Rh 4dx2y2 -0.337225 0.159629 -0.057124 -0.031355 -0.053169 0.172960 1Rh 4dxy 0.377476 0.064994 -0.051262 0.418359 -0.020202 0.020595 1Rh 5dz2 0.031376 -0.199664 0.026779 0.068370 -0.009784 0.082539 1Rh 5dxz -0.082614 -0.107816 0.031259 -0.038426 0.011831 -0.369900 1Rh 5dyz 0.152367 0.023015 0.048570 0.111058 0.053917 -0.400028 1Rh 5dx2y2 0.154681 -0.151993 0.027717 -0.006615 0.042331 -0.179742 1Rh 5dxy -0.366005 -0.063939 0.048501 -0.331490 0.016188 -0.033321 1Rh 1f0 -0.024247 -0.000223 0.009163 0.004310 -0.001381 0.003609 1Rh 1f+1 0.022927 0.003556 0.005241 0.010272 0.000672 0.018659 1Rh 1f-1 0.009915 -0.002216 -0.001457 0.001962 0.001655 -0.004918 1Rh 1f+2 0.021668 0.002667 0.002421 0.004806 0.003427 0.008156 1Rh 1f-2 0.019546 0.004917 -0.001982 0.009327 0.002010 -0.003677 1Rh 1f+3 0.026306 0.008803 0.000399 0.003905 0.002463 0.012446 1Rh 1f-3 0.039418 0.001474 -0.008148 0.003109 0.002569 0.002895 2C 1s 0.002611 -0.001196 -0.002288 -0.000136 -0.000598 -0.002556 2C 2s 0.006796 -0.003798 -0.006512 0.000799 -0.001546 -0.008270 2C 3s -0.097263 0.053460 0.061316 -0.104996 -0.022838 0.101834 2C 4s 0.455456 -0.181853 -0.118162 0.677771 0.285847 -0.200817 2C 5s 0.198469 -0.122772 -0.011796 -0.751505 -0.120394 -0.618638 2C 1pz -0.064951 0.051665 0.077184 -0.005949 0.041740 0.048285 2C 1px 0.001436 0.026392 0.036630 -0.007507 0.019157 0.028116 2C 1py -0.035141 -0.023328 -0.023720 -0.010896 -0.036054 0.039954 2C 2pz 0.383299 -0.815338 -1.009489 0.305426 -0.607880 -0.082405 2C 2px 0.127998 -0.646591 -0.786895 0.298882 -0.217356 -0.780066 2C 2py -0.198955 1.001135 1.298060 0.375697 1.214706 -0.215465 2C 3pz 0.094971 0.075495 0.143866 -0.174146 0.099751 -0.153894 2C 3px 0.056002 0.099003 0.132985 -0.089898 0.040939 0.057817 2C 3py 0.142310 -0.177819 -0.247276 -0.087045 -0.198814 -0.094717 2C 1dz2 -0.079624 0.010493 0.013062 0.025042 0.005250 0.020704 2C 1dxz -0.102930 0.190490 0.238355 -0.004001 0.130613 0.091206 2C 1dyz -0.075538 -0.024002 -0.000380 0.037991 0.033425 -0.077949 2C 1dx2y2 0.001252 0.025121 0.025445 0.030157 0.068435 -0.109464 2C 1dxy 0.055772 -0.207116 -0.260794 -0.016259 -0.210852 0.003735 2C 2dz2 0.165860 -0.305022 -0.382639 0.016012 -0.268206 -0.058484 2C 2dxz 0.027466 0.024376 0.024912 0.013434 0.063555 -0.055371 2C 2dyz 0.080913 0.038569 0.027759 0.182827 0.153956 -0.235076 2C 2dx2y2 -0.007473 -0.150037 -0.170993 0.018891 -0.081146 -0.115239 2C 2dxy 0.088912 -0.314501 -0.404207 0.031459 -0.260634 -0.086439 2C 1f0 0.061561 -0.243849 -0.306519 -0.035280 -0.254612 0.030582 2C 1f+1 -0.053184 -0.346940 -0.433084 0.006332 -0.305948 -0.180195 2C 1f-1 0.091902 -0.069694 -0.109918 -0.029916 -0.112333 0.067802 2C 1f+2 0.040964 -0.260978 -0.342153 -0.039347 -0.269144 0.056343 2C 1f-2 -0.067747 0.012396 0.033215 0.047016 0.079682 -0.161630 2C 1f+3 -0.016500 0.105242 0.132153 0.031813 0.150380 -0.171458 2C 1f-3 -0.021707 0.071457 0.086795 0.014500 0.081603 -0.092937 3C 1s 0.003978 0.002804 -0.001364 0.003309 -0.001887 -0.001465 3C 2s 0.010092 0.008145 -0.004591 0.008422 -0.005697 -0.003564 3C 3s -0.097165 -0.070020 0.099818 0.057179 0.043974 -0.081171 3C 4s 0.409357 0.089699 -0.447996 -0.917352 0.051631 0.861388 3C 5s 0.259292 0.346624 -0.304251 0.681494 -0.248294 0.083347 3C 1pz -0.043175 0.005422 0.024515 0.026494 -0.017764 -0.007239 3C 1px -0.045665 -0.015147 0.013529 -0.006386 0.008009 0.023923 3C 1py 0.060361 0.083065 -0.045628 0.084784 -0.072805 -0.016609 3C 2pz -0.141986 -1.039759 0.098358 -1.478975 1.051800 0.351655 3C 2px 0.647257 -0.064211 -0.219904 -0.583057 0.201870 -0.237750 3C 2py -0.242148 -0.866831 0.389637 -0.533635 0.801870 -0.399554 3C 3pz 0.100770 0.216828 -0.123847 0.292704 -0.209406 -0.005089 3C 3px -0.002533 0.035817 -0.012329 0.134233 -0.063743 0.087334 3C 3py -0.144813 0.012417 0.101287 0.059530 -0.066634 -0.061805 3C 1dz2 0.040277 -0.102937 0.008364 -0.164024 0.115782 0.006210 3C 1dxz -0.132485 0.040617 0.030335 0.089017 -0.063786 0.076466 3C 1dyz -0.039018 -0.119851 0.031491 -0.083697 0.110731 0.000881 3C 1dx2y2 0.110315 0.181555 -0.074332 0.175301 -0.152038 -0.001464 3C 1dxy 0.091162 0.130547 -0.043002 0.151262 -0.116306 0.009129 3C 2dz2 -0.127243 -0.435749 0.100283 -0.442115 0.415413 0.022869 3C 2dxz 0.016754 -0.005192 -0.006687 0.013559 -0.004883 0.065714 3C 2dyz -0.129803 -0.132653 0.134630 -0.017717 0.103773 -0.001581 3C 2dx2y2 -0.030086 -0.094251 0.086711 -0.020026 0.070108 -0.078121 3C 2dxy -0.245536 0.010193 0.078307 0.151624 -0.049156 0.052371 3C 1f0 -0.109282 0.032161 0.036939 0.093266 -0.053300 0.025559 3C 1f+1 0.036639 -0.126131 -0.004126 -0.184315 0.130678 -0.031414 3C 1f-1 0.010214 0.254827 -0.027353 0.314081 -0.249691 -0.096933 3C 1f+2 0.141241 0.017930 -0.002565 0.002997 -0.000367 -0.151176 3C 1f-2 -0.147815 0.128721 0.018653 0.225485 -0.148922 0.109660 3C 1f+3 0.030635 0.253748 -0.038226 0.364836 -0.259128 -0.144692 3C 1f-3 0.112765 -0.258064 0.030159 -0.393292 0.273580 0.030756 4C 1s -0.007695 -0.003065 -0.004418 -0.000071 -0.004895 -0.005128 4C 2s -0.013204 -0.007523 -0.011988 -0.000302 -0.012353 -0.012276 4C 3s -0.255603 0.027649 0.106030 0.003772 0.031596 -0.031470 4C 4s 1.444124 0.162109 0.001105 0.087350 0.302994 0.659383 4C 5s -0.046101 -0.230067 -0.210404 0.548786 0.041060 -0.010430 4C 1pz 0.020843 -0.046433 -0.067154 -0.074527 -0.085345 -0.046617 4C 1px -0.002654 -0.037078 -0.054188 -0.006788 -0.023767 -0.023214 4C 1py -0.016435 0.063232 0.078079 -0.039465 0.047695 -0.031012 4C 2pz 0.520084 0.095803 0.112632 0.650792 0.527817 -0.104251 4C 2px 0.424635 0.172122 0.236675 0.155150 0.220825 0.180847 4C 2py 0.632760 -0.536996 -0.704147 0.375104 -0.260088 -0.016952 4C 3pz 0.427412 -0.122155 0.011623 -0.412273 0.033463 -0.512088 4C 3px -0.027019 -0.050283 0.007603 -0.102399 -0.026385 -0.053166 4C 3py 0.240556 -0.101881 0.094217 -0.342701 0.033082 -0.320512 4C 1dz2 0.009808 -0.054796 -0.062977 0.003438 -0.054192 0.075957 4C 1dxz -0.131266 -0.050704 -0.034965 0.020636 -0.023135 -0.058521 4C 1dyz 0.079436 0.065995 0.083010 0.050207 0.095938 0.064664 4C 1dx2y2 0.147980 -0.038249 -0.062125 0.003747 -0.020221 0.004218 4C 1dxy 0.058561 0.003347 -0.000632 0.028565 0.032798 -0.004751 4C 2dz2 -0.105805 -0.268862 -0.356999 -0.228108 -0.449793 0.012283 4C 2dxz -0.041976 -0.163011 -0.242520 -0.103373 -0.212779 -0.072385 4C 2dyz -0.124928 0.260336 0.289342 -0.227198 0.096812 0.087861 4C 2dx2y2 0.284145 -0.313922 -0.398646 0.131895 -0.159906 0.049991 4C 2dxy 0.247482 -0.050461 -0.071675 0.030038 0.048372 -0.138311 4C 1f0 -0.117211 0.321775 0.429854 0.050196 0.350140 -0.170752 4C 1f+1 -0.224259 0.200206 0.246309 -0.089426 0.075311 0.153843 4C 1f-1 -0.103617 0.013578 0.035050 0.039386 0.045738 -0.011448 4C 1f+2 0.065360 0.236993 0.283552 0.027983 0.252496 0.077637 4C 1f-2 0.055199 0.075847 0.106435 -0.019269 0.032790 0.146203 4C 1f+3 0.036487 0.001683 -0.014094 -0.028358 -0.012680 0.039616 4C 1f-3 -0.173865 -0.118807 -0.122054 -0.044050 -0.161287 -0.058196 5C 1s -0.006054 0.004028 0.003146 0.013278 -0.005975 -0.011443 5C 2s -0.008746 0.012168 0.006709 0.034320 -0.015488 -0.027978 5C 3s -0.318108 -0.139920 0.059944 -0.157114 0.061020 0.077216 5C 4s 1.552241 0.119874 -0.276919 -0.469486 0.325879 0.602367 5C 5s 0.175987 0.201792 0.106044 -0.152684 -0.081855 0.049109 5C 1pz -0.011649 -0.040423 -0.003311 -0.007374 0.041522 -0.040184 5C 1px 0.031414 0.001995 0.009474 0.016544 -0.003005 -0.031253 5C 1py 0.000333 -0.086420 0.027147 -0.178528 0.093636 0.077626 5C 2pz 0.561214 0.497316 -0.271689 0.031925 -0.380683 0.315393 5C 2px 0.026199 0.172812 -0.338805 -0.224437 -0.083487 0.536638 5C 2py -0.822809 0.116810 0.362442 1.142307 -0.344640 -0.683859 5C 3pz 0.269502 0.184869 -0.124612 0.115536 -0.067789 0.257586 5C 3px 0.238057 0.200513 -0.139586 0.059372 -0.028705 0.203091 5C 3py -0.470062 -0.315235 0.233511 -0.319646 0.134319 -0.408621 5C 1dz2 -0.097561 -0.060688 0.031211 -0.015301 0.025936 -0.039953 5C 1dxz -0.031310 -0.045767 0.028572 -0.037870 0.033037 -0.040800 5C 1dyz -0.089706 0.072555 0.023202 0.206558 -0.098914 -0.161986 5C 1dx2y2 0.164549 -0.008672 -0.039281 -0.063138 0.032056 -0.002728 5C 1dxy -0.043748 0.024136 -0.001063 0.070429 -0.033947 0.001155 5C 2dz2 -0.254852 -0.375604 0.157920 -0.339944 0.330814 -0.059536 5C 2dxz -0.117881 -0.189243 0.118636 -0.036104 0.129692 -0.163101 5C 2dyz 0.039591 0.183925 -0.100603 -0.021087 -0.177870 0.170983 5C 2dx2y2 0.375256 -0.163091 -0.214020 -0.703186 0.288261 0.374967 5C 2dxy 0.064189 -0.033193 -0.049067 -0.235674 0.072915 0.269240 5C 1f0 -0.126648 0.054264 0.022328 0.178626 -0.074423 -0.099694 5C 1f+1 -0.062382 0.115877 0.057026 0.250690 -0.143471 -0.120518 5C 1f-1 0.020606 -0.330189 0.035870 -0.436119 0.337189 0.106337 5C 1f+2 -0.017730 -0.005214 0.031992 0.044819 -0.009093 0.059586 5C 1f-2 0.218911 -0.080986 -0.038204 -0.207409 0.133591 -0.020325 5C 1f+3 -0.277304 -0.132902 0.137090 0.006521 0.065326 -0.016261 5C 1f-3 0.090764 0.213264 -0.082475 0.183296 -0.179234 0.177654 6C 1s -0.005582 0.003448 -0.003756 -0.012821 -0.006146 -0.011238 6C 2s -0.007502 0.010831 -0.008583 -0.033181 -0.015897 -0.027512 6C 3s -0.322544 -0.144663 -0.037734 0.154065 0.060758 0.079056 6C 4s 1.529364 0.163272 0.257984 0.441981 0.340271 0.581179 6C 5s 0.136541 0.203449 -0.120299 0.161078 -0.056445 0.020138 6C 1pz 0.001832 0.042334 -0.006124 -0.008171 -0.040634 0.038307 6C 1px -0.033552 0.000408 0.010931 0.015164 0.004859 0.026977 6C 1py 0.006138 0.086667 0.014599 -0.175027 -0.097605 -0.074505 6C 2pz -0.492216 -0.545190 -0.217658 0.031062 0.364338 -0.285342 6C 2px 0.003335 -0.228431 -0.334377 -0.223714 0.055866 -0.488204 6C 2py 0.768782 -0.051007 0.381077 1.131820 0.390439 0.628250 6C 3pz -0.279463 -0.190071 -0.106860 0.115286 0.077728 -0.271055 6C 3px -0.246905 -0.213436 -0.118464 0.061556 0.029179 -0.199863 6C 3py 0.483874 0.328012 0.201451 -0.319726 -0.151452 0.428423 6C 1dz2 -0.092520 -0.066123 -0.024327 0.016514 0.025570 -0.037741 6C 1dxz -0.031479 -0.049152 -0.023518 0.037940 0.033415 -0.040092 6C 1dyz -0.084117 0.066606 -0.033579 -0.200502 -0.103437 -0.156506 6C 1dx2y2 0.166800 -0.004312 0.036475 0.062938 0.033637 -0.003328 6C 1dxy -0.038547 0.022979 -0.001522 -0.069421 -0.035446 0.001023 6C 2dz2 -0.229264 -0.397177 -0.114337 0.335752 0.330760 -0.052673 6C 2dxz -0.092383 -0.208889 -0.101365 0.037338 0.123347 -0.147121 6C 2dyz 0.005976 0.205802 0.085947 0.023328 -0.167549 0.153133 6C 2dx2y2 0.352432 -0.126751 0.238853 0.696766 0.311842 0.349502 6C 2dxy 0.045768 -0.024355 0.056024 0.228410 0.081488 0.258580 6C 1f0 0.117302 -0.050044 0.028406 0.174874 0.077887 0.098896 6C 1f+1 0.062249 -0.106537 0.072576 0.247035 0.150042 0.112981 6C 1f-1 -0.039331 0.336745 -0.000971 -0.430308 -0.342886 -0.106805 6C 1f+2 0.015401 0.011219 0.031205 0.046134 0.012108 -0.063755 6C 1f-2 -0.221316 0.076147 -0.043452 -0.206119 -0.137603 0.021787 6C 1f+3 0.265796 0.151768 0.118715 0.007968 -0.059709 0.009218 6C 1f-3 -0.077386 -0.224931 -0.061175 0.183732 0.178911 -0.169310 7C 1s -0.008193 -0.002425 0.004436 0.000200 -0.004632 -0.005359 7C 2s -0.014333 -0.005814 0.011836 0.000538 -0.011646 -0.013008 7C 3s -0.261934 0.014469 -0.097966 0.000895 0.025220 -0.015004 7C 4s 1.489864 0.154970 -0.025949 -0.113978 0.302653 0.622725 7C 5s -0.012471 -0.197641 0.227605 -0.558224 0.047482 -0.065273 7C 1pz -0.016432 0.039404 -0.067017 -0.075267 0.084780 0.044046 7C 1px -0.000538 0.031093 -0.057328 -0.006902 0.022681 0.026567 7C 1py 0.020347 -0.055371 0.085476 -0.039185 -0.050788 0.032170 7C 2pz -0.626383 -0.089716 0.122573 0.668130 -0.541539 0.194239 7C 2px -0.451266 -0.145075 0.257493 0.169993 -0.221886 -0.157334 7C 2py -0.722432 0.462115 -0.746204 0.387356 0.265270 0.072607 7C 3pz -0.417513 0.130148 0.026338 -0.412193 -0.032645 0.487901 7C 3px 0.034036 0.051352 0.005416 -0.099384 0.025931 0.051887 7C 3py -0.229248 0.115324 0.100159 -0.341892 -0.035305 0.308619 7C 1dz2 0.009589 -0.049685 0.070220 -0.003134 -0.058507 0.082863 7C 1dxz -0.131415 -0.047199 0.043055 -0.018195 -0.024578 -0.057956 7C 1dyz 0.085517 0.056109 -0.085283 -0.051888 0.094016 0.063199 7C 1dx2y2 0.156665 -0.032868 0.063861 -0.006247 -0.021104 -0.000581 7C 1dxy 0.065765 0.002181 0.002340 -0.030151 0.031915 -0.009349 7C 2dz2 -0.145990 -0.233212 0.377100 0.238079 -0.460251 0.049201 7C 2dxz -0.044103 -0.138617 0.257911 0.103596 -0.212294 -0.075805 7C 2dyz -0.162436 0.226506 -0.310962 0.228102 0.099345 0.106300 7C 2dx2y2 0.328543 -0.272758 0.426194 -0.136319 -0.164535 0.028237 7C 2dxy 0.273242 -0.043451 0.072236 -0.034203 0.052229 -0.163793 7C 1f0 0.122673 -0.278682 0.456770 0.050924 -0.358987 0.184487 7C 1f+1 0.252807 -0.173353 0.259895 -0.092197 -0.074562 -0.178463 7C 1f-1 0.101525 -0.012679 0.035518 0.039563 -0.049310 0.014689 7C 1f+2 -0.068063 -0.207691 0.305035 0.032387 -0.258424 -0.070508 7C 1f-2 -0.047301 -0.066312 0.118516 -0.019294 -0.032881 -0.160688 7C 1f+3 -0.034702 -0.005267 -0.010246 -0.030359 0.012738 -0.048273 7C 1f-3 0.187365 0.107134 -0.135224 -0.050561 0.166259 0.042687 8C 1s 0.004101 0.002912 0.000935 -0.003190 -0.001898 -0.001471 8C 2s 0.010368 0.008573 0.003388 -0.008044 -0.005639 -0.003718 8C 3s -0.090061 -0.084500 -0.092313 -0.060115 0.036603 -0.069648 8C 4s 0.334668 0.169077 0.455200 0.912003 0.099488 0.793099 8C 5s 0.303234 0.355497 0.260038 -0.673386 -0.279452 0.118541 8C 1pz 0.045796 -0.003127 0.024150 0.027230 0.019014 0.005947 8C 1px 0.046151 0.016483 0.010373 -0.005320 -0.007539 -0.024392 8C 1py -0.060234 -0.087988 -0.034641 0.081674 0.072058 0.019123 8C 2pz 0.096795 1.051756 -0.024822 -1.464347 -1.078371 -0.338996 8C 2px -0.631666 0.026612 -0.219040 -0.592995 -0.223652 0.250799 8C 2py 0.158174 0.929261 0.300057 -0.521786 -0.784230 0.354285 8C 3pz -0.094473 -0.229761 -0.097806 0.288987 0.213829 0.006012 8C 3px -0.000954 -0.033231 -0.007616 0.135853 0.069989 -0.093458 8C 3py 0.159467 -0.006297 0.100368 0.059199 0.063127 0.067750 8C 1dz2 0.043982 -0.104679 0.001933 0.161906 0.117823 0.008287 8C 1dxz -0.136203 0.041197 -0.031780 -0.096006 -0.069949 0.075122 8C 1dyz -0.025733 -0.124332 -0.019229 0.079442 0.108849 0.002599 8C 1dx2y2 0.102609 0.188631 0.052070 -0.170749 -0.151444 -0.004317 8C 1dxy 0.087537 0.137695 0.027618 -0.151593 -0.120089 0.008096 8C 2dz2 -0.100926 -0.451140 -0.050772 0.434278 0.417149 0.029675 8C 2dxz 0.020641 0.000077 0.007746 -0.019813 -0.010654 0.063748 8C 2dyz -0.123317 -0.149521 -0.117639 0.007953 0.092272 0.013843 8C 2dx2y2 -0.023714 -0.106333 -0.075849 0.020419 0.067781 -0.070743 8C 2dxy -0.243497 0.001934 -0.074628 -0.158036 -0.057785 0.055344 8C 1f0 0.112714 -0.029105 0.036808 0.094276 0.056206 -0.025070 8C 1f+1 -0.043612 0.127417 -0.016868 -0.185527 -0.135594 0.031837 8C 1f-1 0.007432 -0.259449 0.001539 0.309165 0.253186 0.095423 8C 1f+2 -0.139342 -0.016057 0.004426 -0.002114 -0.001126 0.146587 8C 1f-2 0.152867 -0.129823 0.027904 0.230112 0.155973 -0.107398 8C 1f+3 -0.025627 -0.259639 -0.007011 0.359014 0.264996 0.146575 8C 1f-3 -0.117646 0.258545 0.002881 -0.383260 -0.275260 -0.032145 9C 1s 0.002771 -0.000924 0.002197 0.000061 -0.000460 -0.002966 9C 2s 0.007434 -0.003008 0.006309 -0.001017 -0.001144 -0.009564 9C 3s -0.118963 0.045964 -0.062917 0.108018 -0.025853 0.122455 9C 4s 0.573342 -0.167330 0.138573 -0.690694 0.285420 -0.276135 9C 5s 0.167334 -0.129088 -0.005190 0.758252 -0.112240 -0.586831 9C 1pz 0.071355 -0.042818 0.077832 -0.006931 -0.039690 -0.056125 9C 1px 0.000597 -0.022178 0.038439 -0.007399 -0.018576 -0.031049 9C 1py 0.039058 0.021414 -0.027998 -0.012414 0.038785 -0.046901 9C 2pz -0.453740 0.709184 -1.074310 0.303776 0.625003 0.109506 9C 2px -0.218537 0.563040 -0.851654 0.303592 0.210861 0.878225 9C 2py 0.164752 -0.866533 1.373571 0.394848 -1.246541 0.285203 9C 3pz -0.092495 -0.059189 0.157074 -0.172153 -0.106050 0.155483 9C 3px -0.041374 -0.084941 0.146260 -0.091507 -0.039975 -0.078425 9C 3py -0.148189 0.154130 -0.254283 -0.091124 0.203675 0.086389 9C 1dz2 -0.078865 0.006400 -0.007945 -0.024330 0.002026 0.024184 9C 1dxz -0.117682 0.164703 -0.252082 0.005280 0.129729 0.103458 9C 1dyz -0.072455 -0.018786 -0.000984 -0.037840 0.038894 -0.084030 9C 1dx2y2 0.008695 0.029918 -0.038449 -0.032253 0.080596 -0.122384 9C 1dxy 0.056742 -0.180208 0.276979 0.017047 -0.214706 0.004835 9C 2dz2 0.180488 -0.265030 0.405140 -0.014760 -0.272998 -0.069370 9C 2dxz 0.039020 0.022871 -0.028336 -0.012758 0.065591 -0.058989 9C 2dyz 0.113573 0.042640 -0.042685 -0.189866 0.170330 -0.278730 9C 2dx2y2 -0.004436 -0.122002 0.173109 -0.018466 -0.071257 -0.126786 9C 2dxy 0.109526 -0.272310 0.430353 -0.032234 -0.261639 -0.102672 9C 1f0 -0.062711 0.209142 -0.321343 -0.037349 0.256971 -0.038888 9C 1f+1 0.041808 0.300592 -0.461088 0.004216 0.306438 0.190329 9C 1f-1 -0.094105 0.063675 -0.119544 -0.029157 0.119326 -0.070341 9C 1f+2 -0.044223 0.229465 -0.370464 -0.041535 0.279511 -0.064152 9C 1f-2 0.058086 -0.006877 0.025858 0.044863 -0.078075 0.173905 9C 1f+3 0.012236 -0.096500 0.148490 0.032548 -0.160561 0.186499 9C 1f-3 0.022174 -0.067606 0.100693 0.015618 -0.091410 0.107021 10H 1s 0.036202 0.021054 0.010142 -0.040018 -0.019255 0.079034 10H 2s -0.092318 0.229471 0.267578 -0.140485 0.001653 0.429161 10H 3s 0.038551 -0.080258 -0.104463 0.104029 0.012900 -0.099591 10H 1pz -0.066814 0.025278 0.026309 -0.050528 -0.048083 0.076754 10H 1px 0.017864 -0.112173 -0.129280 0.050025 -0.016091 -0.219379 10H 1py -0.033598 0.058513 0.072547 -0.018282 0.038036 -0.008643 11H 1s 0.022870 -0.127557 -0.177453 0.007295 -0.125776 -0.061288 11H 2s 0.213583 -0.866152 -1.078172 0.042936 -0.705210 -0.278192 11H 3s -0.026769 0.345789 0.436964 -0.004030 0.294532 0.125946 11H 1pz 0.107861 -0.252735 -0.319904 -0.010407 -0.209369 -0.084750 11H 1px 0.051126 -0.268099 -0.331258 0.024195 -0.207477 -0.118682 11H 1py -0.010439 0.212685 0.265420 -0.012639 0.185395 0.028738 12H 1s 0.006064 0.064428 0.078689 0.016232 0.091860 -0.096141 12H 2s -0.252878 0.549024 0.708846 0.149671 0.688897 -0.276585 12H 3s 0.149661 -0.192636 -0.266239 0.000534 -0.247395 0.107885 12H 1pz 0.037481 -0.096359 -0.134576 -0.040882 -0.131949 0.055037 12H 1px -0.066951 0.081150 0.102648 0.038712 0.113614 -0.083961 12H 1py -0.112130 0.245645 0.313283 0.050433 0.293636 -0.105008 13H 1s 0.002615 -0.004491 0.014626 0.018404 -0.000495 0.035123 13H 2s -0.382446 -0.259518 0.168052 -0.090331 0.189314 0.184259 13H 3s 0.158218 0.083403 -0.064309 -0.038020 -0.051615 -0.060932 13H 1pz -0.122602 -0.116294 0.057965 -0.068839 0.091057 0.038116 13H 1px 0.154204 0.085169 -0.063998 0.043417 -0.056782 -0.111060 13H 1py 0.086289 0.003393 -0.038107 -0.085274 0.018626 0.045040 14H 1s 0.078618 -0.037611 -0.023566 -0.084035 0.053593 -0.060069 14H 2s 0.174828 -0.482782 0.050658 -0.705881 0.539898 -0.194132 14H 3s -0.019247 0.164470 -0.027250 0.217433 -0.191052 0.105961 14H 1pz 0.030038 -0.131086 0.017569 -0.169812 0.140634 -0.032925 14H 1px 0.066473 -0.192885 0.020072 -0.272533 0.208357 -0.110555 14H 1py 0.056881 -0.089713 -0.000253 -0.174784 0.100500 0.013879 15H 1s 0.020264 0.135220 -0.027492 0.198372 -0.145221 -0.059959 15H 2s 0.230848 0.831501 -0.182972 0.895995 -0.779688 -0.076964 15H 3s -0.028419 -0.322227 0.076082 -0.419797 0.324102 0.076133 15H 1pz -0.014677 -0.253666 0.042493 -0.301105 0.249962 0.035076 15H 1px 0.060171 0.070636 -0.027320 0.056784 -0.059384 -0.030051 15H 1py -0.124691 -0.309712 0.085657 -0.321220 0.285751 0.010972 16H 1s -0.169262 -0.032461 0.166591 -0.066313 -0.017678 0.366433 16H 2s 0.178644 0.062889 0.275631 -0.198839 -0.031636 0.660585 16H 3s 0.018191 0.013526 -0.071493 0.001599 -0.006645 -0.123043 16H 1pz -0.091934 -0.004278 0.212777 -0.120104 -0.023478 0.470022 16H 1px -0.025476 -0.005294 -0.025505 0.016860 0.005125 -0.090701 16H 1py -0.090880 -0.017471 0.111944 -0.041318 -0.012626 0.257473 17H 1s -0.034644 -0.015995 -0.165171 0.022181 0.013821 -0.404592 17H 2s 0.378583 0.083993 -0.265557 -0.040928 0.030797 -0.633530 17H 3s -0.041787 -0.016106 0.084858 -0.006245 -0.007670 0.095568 17H 1pz -0.025105 -0.010676 0.116885 0.014874 -0.009049 0.274847 17H 1px -0.083974 -0.010984 0.149733 0.007521 -0.016305 0.372077 17H 1py 0.007270 -0.003430 -0.144968 0.018545 0.013596 -0.341592 18H 1s -0.024428 0.004940 0.164347 -0.017871 0.024915 -0.432820 18H 2s 0.388295 0.119546 0.241548 0.042477 0.052692 -0.681793 18H 3s -0.048589 -0.025672 -0.082309 0.005346 -0.011810 0.105901 18H 1pz 0.030637 0.026298 0.116260 0.016939 0.018486 -0.304432 18H 1px 0.090007 0.030934 0.143507 0.009854 0.027662 -0.399835 18H 1py -0.014412 -0.014439 -0.138815 0.015887 -0.022563 0.355866 19H 1s -0.185998 -0.052884 -0.157239 0.063730 -0.027844 0.394644 19H 2s 0.147589 0.027216 -0.283879 0.188756 -0.044625 0.706050 19H 3s 0.024607 0.022447 0.068686 0.000976 -0.002171 -0.134181 19H 1pz 0.113652 0.030389 0.205649 -0.113977 0.034297 -0.498775 19H 1px 0.021598 0.001308 -0.027667 0.016809 -0.007175 0.100242 19H 1py 0.104259 0.032286 0.110914 -0.041822 0.020389 -0.287277 20H 1s 0.017718 0.138406 0.010816 -0.194185 -0.146970 -0.061621 20H 2s 0.180625 0.858394 0.088316 -0.880975 -0.784485 -0.085756 20H 3s -0.011763 -0.331505 -0.039746 0.412029 0.327483 0.078014 20H 1pz -0.001472 0.261022 0.014757 -0.296741 -0.252596 -0.037817 20H 1px -0.055887 -0.076668 -0.018219 0.057672 0.061444 0.030950 20H 1py 0.106210 0.320197 0.049494 -0.315054 -0.286803 -0.013744 21H 1s 0.081224 -0.036140 0.024821 0.085953 0.056089 -0.058853 21H 2s 0.200429 -0.492444 -0.001578 0.710498 0.555452 -0.188685 21H 3s -0.032552 0.170513 0.009952 -0.221036 -0.195424 0.102416 21H 1pz -0.039398 0.135812 0.003711 -0.172310 -0.144638 0.030912 21H 1px -0.076411 0.195700 0.000960 -0.273760 -0.213334 0.107555 21H 1py -0.054910 0.089702 -0.009625 -0.173727 -0.104584 -0.013289 22H 1s 0.005437 -0.006934 -0.014366 -0.019813 -0.002648 0.036745 22H 2s -0.361191 -0.280391 -0.133156 0.075690 0.179356 0.189432 22H 3s 0.144732 0.093785 0.053439 0.043144 -0.044639 -0.067293 22H 1pz 0.113472 0.123585 0.043665 -0.064175 -0.088194 -0.040158 22H 1px -0.150021 -0.092312 -0.050836 0.037910 0.054520 0.111476 22H 1py -0.081445 -0.010019 -0.038677 -0.085119 -0.022001 -0.041727 23H 1s 0.008222 0.058672 -0.087542 -0.017329 0.097883 -0.108099 23H 2s -0.244949 0.483695 -0.758385 -0.158961 0.717568 -0.319584 23H 3s 0.151036 -0.168229 0.283084 0.002817 -0.260432 0.123366 23H 1pz -0.036897 0.084601 -0.143249 -0.041109 0.136233 -0.062814 23H 1px 0.062389 -0.069289 0.104925 0.039269 -0.115146 0.093576 23H 1py 0.109753 -0.217012 0.336601 0.054590 -0.307133 0.122353 24H 1s 0.028683 -0.108939 0.186244 -0.007253 -0.125747 -0.067392 24H 2s 0.249566 -0.749747 1.145189 -0.041009 -0.711764 -0.307043 24H 3s -0.039624 0.298842 -0.463459 0.001586 0.296223 0.136943 24H 1pz -0.118140 0.216155 -0.334853 -0.011041 0.209249 0.092257 24H 1px -0.064531 0.235833 -0.357862 0.023748 0.212503 0.131341 24H 1py 0.017317 -0.182737 0.280485 -0.011457 -0.186763 -0.028379 25H 1s 0.032338 0.019502 -0.013894 0.040071 -0.020201 0.087397 25H 2s -0.135840 0.192312 -0.279884 0.146117 -0.015388 0.485695 25H 3s 0.060711 -0.065942 0.110058 -0.107349 0.018858 -0.125398 25H 1pz 0.081576 -0.020702 0.027790 -0.053586 0.052525 -0.093617 25H 1px -0.035496 0.095288 -0.136021 0.051377 0.009647 0.242430 25H 1py 0.039782 -0.049995 0.076536 -0.018825 -0.038272 0.008446 26O 1s 0.005664 -0.002971 -0.002213 0.004622 0.000511 -0.007205 26O 2s 0.015188 -0.009767 -0.006678 0.014142 0.000183 -0.023807 26O 3s -0.003789 0.065850 0.028826 -0.072708 0.033279 0.192505 26O 4s -0.294774 -0.052232 0.056936 -0.055105 -0.168384 -0.398024 26O 5s -1.309587 0.167105 0.087112 -0.132900 -0.181103 0.474801 26O 1pz -0.032438 0.003854 -0.016286 0.001924 -0.009011 -0.008635 26O 1px 0.016177 -0.011778 -0.032966 0.033215 -0.018290 -0.002134 26O 1py 0.000497 -0.014974 -0.005580 0.010562 0.023970 -0.020849 26O 2pz 0.147441 0.009087 0.056944 0.027639 0.059083 -0.006249 26O 2px 0.461787 0.007027 0.007837 0.043592 0.151019 0.057232 26O 2py 0.216564 -0.003749 -0.034491 0.041612 -0.024149 0.074504 26O 3pz -0.359409 -0.090219 -0.083591 0.143416 -0.049876 0.061461 26O 3px 0.152644 -0.111193 -0.067924 0.243920 0.060592 -0.003899 26O 3py -0.243174 0.005108 0.000587 0.163695 0.090253 0.166572 26O 1dz2 -0.012810 0.003702 0.012892 0.001373 0.008568 -0.009663 26O 1dxz -0.005801 -0.002021 0.002711 0.007075 0.009564 -0.022965 26O 1dyz -0.016445 -0.006871 -0.009746 0.002342 -0.001893 -0.015616 26O 1dx2y2 0.011012 0.003011 0.006766 0.002497 0.007821 0.005182 26O 1dxy 0.006529 -0.003898 -0.002926 0.004155 0.004292 -0.016755 26O 2dz2 0.101198 -0.021224 -0.002845 0.033829 0.035291 0.012676 26O 2dxz -0.085457 -0.006885 0.008052 -0.018057 -0.024129 0.076841 26O 2dyz -0.063271 0.005727 -0.005496 0.002343 -0.004007 0.039736 26O 2dx2y2 -0.148354 -0.030845 -0.003616 -0.009514 -0.040627 -0.028655 26O 2dxy -0.121443 0.002336 0.012776 -0.032649 -0.023333 -0.047306 26O 1f0 -0.004526 0.024384 0.025658 0.006308 0.022210 -0.021531 26O 1f+1 0.004045 -0.013463 -0.018441 -0.001589 -0.011545 -0.011994 26O 1f-1 0.012313 -0.002903 -0.006532 0.007986 -0.002565 0.011248 26O 1f+2 -0.007553 0.009895 0.009925 -0.006793 0.000080 0.017529 26O 1f-2 0.005626 0.022381 0.023162 0.009886 0.024416 0.016917 26O 1f+3 0.001387 0.015201 0.018035 -0.001466 0.012452 0.018005 26O 1f-3 -0.023976 0.016708 0.023595 -0.006684 0.010594 0.006693 27O 1s 0.006791 0.005105 -0.000998 0.000283 -0.001948 0.001764 27O 2s 0.018838 0.016769 -0.001613 0.004424 -0.007147 0.002490 27O 3s -0.044924 -0.112175 -0.051273 -0.115790 0.065908 0.068384 27O 4s -0.135499 0.152293 0.318816 0.500096 -0.138521 -0.410109 27O 5s -1.380441 -0.558449 0.406249 0.145706 0.062308 -0.571664 27O 1pz 0.050691 0.002378 -0.008306 -0.033409 0.029644 -0.027450 27O 1px 0.028934 0.025841 -0.009556 0.008750 -0.012053 0.001753 27O 1py -0.055177 0.009402 0.015589 -0.009739 0.008670 0.051559 27O 2pz -0.131986 0.013804 0.014652 0.114870 -0.077944 0.022769 27O 2px 0.375443 0.053139 -0.239523 -0.258597 0.045935 0.304260 27O 2py -0.006993 -0.022896 0.046157 0.115556 -0.052785 -0.159880 27O 3pz -0.130153 -0.095867 0.021123 -0.106228 0.084616 -0.183769 27O 3px 0.228733 0.078802 -0.140359 -0.220593 0.064983 0.212881 27O 3py 0.086597 0.018121 0.050644 0.068420 0.014999 0.035105 27O 1dz2 -0.012909 0.001484 0.005391 0.016233 -0.008042 -0.007133 27O 1dxz 0.001653 0.002028 -0.000733 0.003153 -0.004175 -0.007263 27O 1dyz 0.010476 -0.000208 -0.004318 -0.000191 0.005022 -0.000484 27O 1dx2y2 0.017468 0.007335 -0.011126 0.005269 -0.006336 0.001649 27O 1dxy -0.009436 -0.001435 0.006525 0.008136 -0.001938 0.011546 27O 2dz2 0.080716 -0.003770 -0.042485 -0.047946 0.011369 0.059751 27O 2dxz 0.043920 -0.031357 -0.000068 -0.051974 0.018021 0.048042 27O 2dyz -0.002850 0.020978 0.003209 0.038776 -0.007492 -0.011951 27O 2dx2y2 -0.136642 -0.030417 0.064870 0.095717 -0.025727 -0.123589 27O 2dxy 0.117843 0.021631 -0.051992 -0.057943 0.010584 0.057256 27O 1f0 -0.009920 0.019319 -0.001328 0.027345 -0.020430 -0.012831 27O 1f+1 -0.017703 -0.028816 0.009949 -0.026023 0.025388 -0.005418 27O 1f-1 0.007425 -0.024805 0.001517 -0.028127 0.019992 0.004321 27O 1f+2 -0.017041 -0.003391 0.006965 -0.003162 -0.000526 0.014651 27O 1f-2 -0.038190 -0.001775 0.004283 0.013712 -0.007223 0.003098 27O 1f+3 0.019777 0.007908 0.002860 0.009567 -0.006982 -0.003961 27O 1f-3 -0.017073 -0.000321 0.004258 -0.004125 0.001593 0.024535 28O 1s 0.004672 -0.003087 -0.003250 0.004554 0.000805 -0.000803 28O 2s 0.012211 -0.010609 -0.011137 0.014432 0.001840 -0.002883 28O 3s -0.017501 0.079665 0.077303 -0.087048 0.009115 0.032022 28O 4s -0.038254 -0.107803 -0.088182 0.016597 -0.090517 -0.085256 28O 5s -1.063219 0.191552 0.162702 -0.145549 -0.164967 0.027373 28O 1pz 0.050177 0.011920 -0.014886 0.018412 -0.004338 0.032537 28O 1px 0.001855 0.027229 0.032824 -0.032254 -0.006636 0.032096 28O 1py 0.016266 -0.002324 0.008674 -0.013174 0.012052 0.051108 28O 2pz 0.097351 -0.023514 -0.008043 -0.003997 0.059914 0.037070 28O 2px -0.249779 -0.033827 -0.020835 -0.012597 -0.051746 -0.070732 28O 2py 0.015110 -0.005238 -0.030535 0.030399 -0.023176 -0.076476 28O 3pz -0.061040 -0.045088 -0.115544 0.217344 0.041882 0.138582 28O 3px -0.219391 0.057510 0.062212 -0.134771 -0.101402 0.055009 28O 3py -0.043279 0.009097 -0.029074 0.088599 0.045689 -0.022119 28O 1dz2 -0.004611 0.001495 0.009282 -0.002848 0.002967 0.014317 28O 1dxz -0.021292 0.002297 0.008760 0.001385 0.001886 -0.008302 28O 1dyz -0.005495 -0.000679 0.001814 0.000502 -0.002187 -0.001150 28O 1dx2y2 0.004111 -0.000621 0.001793 0.002858 0.006670 0.000096 28O 1dxy -0.001099 -0.003100 -0.002364 0.005116 0.000643 -0.014575 28O 2dz2 -0.012573 -0.033673 0.001097 0.031550 0.011335 -0.050148 28O 2dxz 0.121007 -0.000462 -0.008506 0.011137 0.024632 0.050433 28O 2dyz -0.054719 0.011688 0.001846 0.011298 0.006810 0.004124 28O 2dx2y2 -0.100038 -0.023779 -0.006414 -0.029456 -0.040482 0.035351 28O 2dxy 0.058395 -0.002522 0.005465 0.012063 0.007614 -0.027890 28O 1f0 0.007859 -0.013956 -0.024012 0.000146 -0.023349 0.012266 28O 1f+1 0.002183 0.014159 0.010410 -0.008915 -0.001123 0.017594 28O 1f-1 0.034206 0.015331 0.008648 0.008103 0.014598 0.020067 28O 1f+2 -0.013177 0.005249 0.005218 0.008175 0.008011 -0.018437 28O 1f-2 0.001016 0.001723 -0.001935 -0.004791 -0.004120 0.009095 28O 1f+3 0.004086 -0.037283 -0.048219 -0.003919 -0.036786 0.011894 28O 1f-3 0.016771 0.005787 0.007869 -0.002217 0.003749 -0.000630 29O 1s 0.016386 0.003316 -0.000102 -0.000681 -0.000023 0.001774 29O 2s 0.059328 0.011920 -0.000449 -0.000995 -0.000104 0.006674 29O 3s -0.529157 -0.104201 0.005364 -0.022575 0.000974 -0.065623 29O 4s 1.197769 0.233031 -0.016083 0.080385 -0.009250 0.148286 29O 5s -1.544589 -0.337949 0.011725 0.179658 0.051600 -0.100206 29O 1pz 0.046599 0.006434 -0.124858 0.041255 0.011402 -0.286154 29O 1px 0.019995 0.002398 -0.045821 -0.012197 0.006094 -0.106574 29O 1py -0.015946 0.001180 0.013659 0.034391 -0.000957 0.033378 29O 2pz -0.196489 -0.022387 0.548559 -0.175241 -0.053909 1.259202 29O 2px -0.135553 -0.022505 0.203148 0.035773 -0.022794 0.466248 29O 2py 0.013549 -0.002174 -0.055664 -0.110717 0.002417 -0.143473 29O 3pz -0.093204 -0.012905 -0.027599 -0.032158 0.001282 -0.044178 29O 3px 0.435287 0.080514 -0.036707 -0.025800 -0.011182 0.034177 29O 3py 0.269000 0.075460 0.023141 -0.042809 0.001112 0.026621 29O 1dz2 -0.000138 0.003152 0.002884 -0.003643 -0.000575 0.011702 29O 1dxz 0.005017 0.002358 -0.003446 0.005594 0.000358 -0.011701 29O 1dyz 0.004185 -0.000343 0.006368 -0.001958 -0.000076 0.007385 29O 1dx2y2 -0.018054 -0.001273 0.001169 -0.004067 0.000337 -0.008710 29O 1dxy -0.016174 -0.001225 0.000702 0.009139 -0.001295 0.004969 29O 2dz2 0.087460 0.019165 -0.133391 0.059882 0.013896 -0.287626 29O 2dxz -0.023395 0.000709 0.121856 0.002695 -0.010713 0.279857 29O 2dyz 0.103136 0.008965 -0.219243 0.063603 0.023894 -0.520746 29O 2dx2y2 -0.046681 -0.003133 0.040177 -0.034805 -0.003151 0.061812 29O 2dxy -0.019249 -0.000215 -0.097639 0.015620 0.006856 -0.237049 29O 1f0 0.027517 0.003880 -0.013882 0.005052 0.001564 -0.029695 29O 1f+1 -0.005083 -0.000118 -0.015449 0.002787 0.001880 -0.032977 29O 1f-1 0.019953 0.005983 -0.025458 0.013363 0.002843 -0.055242 29O 1f+2 -0.014085 -0.001136 0.009035 0.002670 -0.000113 0.018152 29O 1f-2 -0.000255 0.000020 0.042705 -0.013028 -0.003063 0.096107 29O 1f+3 0.010395 -0.000374 -0.011016 0.003795 0.001872 -0.022145 29O 1f-3 0.015533 -0.001238 -0.018355 -0.008809 0.002541 -0.050502 30O 1s 0.005853 0.004017 0.002046 -0.000021 -0.002395 0.006348 30O 2s 0.016781 0.013298 0.008879 0.002494 -0.008758 0.018124 30O 3s -0.029595 -0.092206 -0.120235 -0.086575 0.084655 -0.075556 30O 4s -0.192288 0.157892 0.366212 0.403997 -0.215422 -0.008734 30O 5s -1.310123 -0.497175 0.030752 0.087961 0.114533 -0.915526 30O 1pz -0.010477 0.014215 -0.003697 -0.010759 0.012818 0.009414 30O 1px -0.069673 -0.020759 -0.005340 -0.009291 0.018049 0.014166 30O 1py 0.008586 0.011830 0.009970 0.003897 0.011079 -0.026691 30O 2pz 0.307092 0.022816 -0.060962 -0.079826 -0.008619 0.096945 30O 2px -0.185790 -0.010473 0.130224 0.172501 -0.071309 -0.163884 30O 2py -0.283767 -0.048360 0.028573 0.117514 -0.061876 -0.073948 30O 3pz -0.053358 -0.080221 -0.032652 -0.185523 0.056555 0.088348 30O 3px -0.346436 -0.090043 -0.011922 0.090829 -0.002969 -0.201322 30O 3py 0.239626 0.089909 0.053726 0.138875 -0.006037 0.082224 30O 1dz2 -0.000344 -0.000857 0.003071 0.005544 -0.005183 -0.000679 30O 1dxz -0.008191 -0.001207 0.004295 0.009171 -0.003490 -0.002092 30O 1dyz 0.013763 0.000018 0.005914 0.001070 0.003856 -0.021582 30O 1dx2y2 0.023158 0.004739 -0.004562 -0.000271 -0.003788 -0.011023 30O 1dxy 0.014050 0.004653 -0.003032 0.000425 -0.001435 0.011237 30O 2dz2 -0.007403 -0.034792 0.002653 -0.032593 0.012836 -0.008219 30O 2dxz 0.166710 0.001951 -0.048472 -0.076201 0.023712 0.075777 30O 2dyz 0.127200 0.034177 -0.004298 -0.001470 0.000428 0.045768 30O 2dx2y2 -0.017237 -0.013175 0.035440 0.040342 -0.015859 0.008312 30O 2dxy -0.078566 -0.002145 0.035401 0.061141 -0.021501 -0.053282 30O 1f0 -0.017716 -0.028892 0.003353 -0.028016 0.023732 0.000595 30O 1f+1 0.000570 0.011317 -0.003058 0.011628 -0.008382 0.003959 30O 1f-1 -0.011203 -0.000029 0.004116 0.018094 -0.009897 -0.003261 30O 1f+2 -0.024127 0.021571 0.001565 0.042214 -0.027119 -0.012484 30O 1f-2 0.013084 -0.006584 -0.004835 -0.012853 0.007116 0.002308 30O 1f+3 0.003399 -0.014120 0.003529 -0.013085 0.012558 0.012843 30O 1f-3 0.018759 -0.010998 0.002649 -0.021868 0.014155 -0.007179 31O 1s 0.005493 0.003889 -0.002352 0.000079 -0.002270 0.006290 31O 2s 0.015683 0.012575 -0.009892 -0.002221 -0.008454 0.018138 31O 3s -0.025745 -0.079206 0.126487 0.082748 0.085091 -0.080090 31O 4s -0.177610 0.111578 -0.375638 -0.392826 -0.227332 0.015751 31O 5s -1.278738 -0.503132 0.017190 -0.077819 0.112331 -0.923097 31O 1pz 0.013033 -0.014732 -0.003002 -0.010896 -0.013402 -0.008725 31O 1px 0.065693 0.020500 -0.009039 -0.007781 -0.016891 -0.015016 31O 1py -0.011048 -0.010504 0.011886 0.004020 -0.009907 0.024792 31O 2pz -0.302344 -0.031320 -0.054358 -0.076141 0.006412 -0.094662 31O 2px 0.181439 0.027941 0.129485 0.165360 0.075126 0.157137 31O 2py 0.278266 0.053259 0.020866 0.112549 0.061749 0.075482 31O 3pz 0.074134 0.071578 -0.045899 -0.185149 -0.064862 -0.079974 31O 3px 0.332044 0.091666 -0.019707 0.089006 0.007114 0.197922 31O 3py -0.258843 -0.077031 0.069904 0.144237 0.017950 -0.101951 31O 1dz2 -0.000705 -0.001379 -0.003065 -0.005438 -0.005388 -0.000075 31O 1dxz -0.008175 -0.001787 -0.004214 -0.009125 -0.003724 -0.001842 31O 1dyz 0.014079 -0.000795 -0.006539 -0.000986 0.003536 -0.020874 31O 1dx2y2 0.022291 0.005337 0.003453 0.000388 -0.003667 -0.010761 31O 1dxy 0.013740 0.004979 0.002505 -0.000710 -0.001535 0.011311 31O 2dz2 -0.009117 -0.034347 0.001727 0.032172 0.013050 -0.007701 31O 2dxz 0.162842 0.008614 0.046193 0.073706 0.026263 0.072989 31O 2dyz 0.126418 0.034186 -0.001048 -0.000023 -0.000364 0.046475 31O 2dx2y2 -0.016521 -0.018823 -0.034076 -0.040011 -0.017936 0.011862 31O 2dxy -0.075319 -0.007825 -0.035243 -0.059146 -0.023263 -0.049432 31O 1f0 0.015750 0.029524 0.000064 -0.027672 -0.023811 -0.001062 31O 1f+1 -0.000947 -0.011380 -0.001731 0.011234 0.008307 -0.003901 31O 1f-1 0.010725 0.000568 0.004114 0.017968 0.010529 0.002893 31O 1f+2 0.024171 -0.021050 0.003822 0.041196 0.027953 0.011957 31O 1f-2 -0.012995 0.005960 -0.005389 -0.013017 -0.007779 -0.001599 31O 1f+3 -0.004960 0.014806 0.001966 -0.012792 -0.012617 -0.012949 31O 1f-3 -0.018546 0.011517 0.001915 -0.021968 -0.014403 0.006401 32O 1s 0.016557 0.003318 -0.000582 0.000555 0.000034 0.001658 32O 2s 0.060093 0.011922 -0.001995 0.000548 0.000058 0.006253 32O 3s -0.539235 -0.104096 0.015755 0.026329 0.000462 -0.061845 32O 4s 1.222529 0.232855 -0.032016 -0.088930 -0.008743 0.139163 32O 5s -1.543294 -0.338517 0.063647 -0.165577 0.041771 -0.087299 32O 1pz -0.057770 -0.022222 -0.121467 0.037949 -0.019200 0.308697 32O 1px -0.021844 -0.008298 -0.043964 -0.013384 -0.009658 0.113553 32O 1py 0.011375 0.000366 0.009592 0.035117 0.002371 -0.028177 32O 2pz 0.244147 0.092387 0.534913 -0.160832 0.087950 -1.357222 32O 2px 0.143331 0.048579 0.191889 0.040270 0.038013 -0.496534 32O 2py 0.003070 -0.003576 -0.038996 -0.114349 -0.007173 0.118896 32O 3pz 0.094089 0.011601 -0.031431 -0.033972 -0.002042 0.044791 32O 3px -0.438379 -0.083095 -0.018363 -0.022006 0.009054 -0.028842 32O 3py -0.268065 -0.073425 0.036663 -0.039968 -0.003231 -0.025315 32O 1dz2 -0.000460 0.002722 -0.002847 0.003520 -0.000844 0.012331 32O 1dxz 0.005455 0.002919 0.003044 -0.005472 0.000656 -0.012915 32O 1dyz 0.003028 -0.001070 -0.006473 0.001921 -0.000257 0.008055 32O 1dx2y2 -0.018521 -0.001208 -0.000678 0.004355 0.000560 -0.008940 32O 1dxy -0.015793 -0.001432 -0.000046 -0.008981 -0.001735 0.005253 32O 2dz2 0.096546 0.033975 0.118615 -0.054664 0.019702 -0.284549 32O 2dxz -0.032053 -0.015637 -0.124035 -0.004291 -0.019821 0.312147 32O 2dyz 0.122898 0.038182 0.215849 -0.060561 0.038725 -0.567928 32O 2dx2y2 -0.054805 -0.008614 -0.044496 0.035846 -0.005520 0.082636 32O 2dxy -0.015446 0.011559 0.091552 -0.012419 0.012595 -0.242384 32O 1f0 -0.027730 -0.005113 -0.011539 0.004260 -0.002312 0.029452 32O 1f+1 0.004322 -0.001796 -0.016542 0.002574 -0.002848 0.037847 32O 1f-1 -0.023793 -0.009273 -0.024308 0.013182 -0.004331 0.059901 32O 1f+2 0.015188 0.002423 0.008351 0.002316 0.000722 -0.019167 32O 1f-2 0.004520 0.005388 0.042110 -0.012012 0.005650 -0.103343 32O 1f+3 -0.010846 -0.000704 -0.009122 0.003645 -0.002312 0.019922 32O 1f-3 -0.016564 -0.001349 -0.017871 -0.009117 -0.004378 0.055010 33O 1s 0.005154 -0.002625 0.003314 -0.004704 0.000949 -0.001351 33O 2s 0.013587 -0.009016 0.011406 -0.014877 0.002359 -0.004655 33O 3s -0.020306 0.068254 -0.079829 0.089070 0.005118 0.041671 33O 4s -0.060091 -0.094139 0.087749 -0.018534 -0.083647 -0.086634 33O 5s -1.103555 0.172000 -0.149909 0.164038 -0.172454 0.055473 33O 1pz -0.053150 -0.013504 -0.012659 0.019405 0.003909 -0.030185 33O 1px 0.002166 -0.022792 0.034921 -0.032530 0.007972 -0.036856 33O 1py -0.015115 0.003311 0.007612 -0.012212 -0.012066 -0.051761 33O 2pz -0.106968 0.021974 -0.010472 -0.002694 -0.060410 -0.034294 33O 2px 0.263871 0.030323 -0.026569 -0.016362 0.050765 0.064466 33O 2py -0.020468 0.001236 -0.027823 0.028370 0.022709 0.076909 33O 3pz 0.030225 0.031579 -0.127113 0.218818 -0.045201 -0.107520 33O 3px 0.238640 -0.049966 0.064128 -0.138315 0.104016 -0.074051 33O 3py 0.032615 -0.013356 -0.030286 0.086890 -0.047948 0.037465 33O 1dz2 -0.005305 0.000360 -0.009192 0.002740 0.002658 0.015801 33O 1dxz -0.022303 0.001231 -0.008342 -0.001051 0.001645 -0.007659 33O 1dyz -0.005559 -0.000889 -0.001843 -0.000379 -0.002479 -0.000308 33O 1dx2y2 0.005149 -0.000711 -0.001509 -0.003197 0.007080 -0.001412 33O 1dxy -0.000709 -0.002952 0.002712 -0.005065 0.000500 -0.015146 33O 2dz2 -0.009787 -0.034053 0.003187 -0.031860 0.011362 -0.055812 33O 2dxz 0.128059 -0.000303 0.008338 -0.013363 0.024146 0.047625 33O 2dyz -0.053553 0.011147 -0.000290 -0.011725 0.006886 -0.000593 33O 2dx2y2 -0.107530 -0.022906 0.009871 0.030964 -0.041162 0.043475 33O 2dxy 0.060153 -0.002682 -0.008193 -0.011435 0.007467 -0.026097 33O 1f0 -0.007786 0.012033 -0.025581 0.000197 0.024411 -0.013039 33O 1f+1 -0.000705 -0.012939 0.012089 -0.008807 0.001062 -0.018960 33O 1f-1 -0.035215 -0.014512 0.010496 0.008866 -0.014979 -0.018509 33O 1f+2 0.012417 -0.004786 0.005880 0.008069 -0.008391 0.019438 33O 1f-2 -0.000616 -0.002035 -0.001470 -0.004942 0.003968 -0.009816 33O 1f+3 -0.004748 0.032157 -0.051276 -0.003955 0.037126 -0.012049 33O 1f-3 -0.016397 -0.005165 0.009383 -0.002075 -0.004104 0.000661 34O 1s 0.006641 0.005374 0.000416 -0.000148 -0.001659 0.001329 34O 2s 0.018578 0.017391 -0.000323 -0.003915 -0.006280 0.001144 34O 3s -0.049315 -0.107310 0.065086 0.110653 0.062886 0.073822 34O 4s -0.100161 0.107457 -0.344173 -0.488526 -0.149202 -0.397739 34O 5s -1.370639 -0.618602 -0.340966 -0.147019 0.035263 -0.524467 34O 1pz -0.049464 -0.003191 -0.006658 -0.032908 -0.029809 0.025987 34O 1px -0.026585 -0.027073 -0.006361 0.008592 0.010333 0.000803 34O 1py 0.055872 -0.007443 0.014359 -0.009410 -0.008792 -0.052457 34O 2pz 0.127747 -0.012475 0.013488 0.113382 0.078558 -0.017825 34O 2px -0.360942 -0.089286 -0.236131 -0.254553 -0.057483 -0.286090 34O 2py 0.000659 0.030488 0.048356 0.113594 0.058368 0.154910 34O 3pz 0.136392 0.097577 0.011059 -0.107559 -0.087880 0.183456 34O 3px -0.205990 -0.104773 -0.138129 -0.217857 -0.083587 -0.186352 34O 3py -0.101625 -0.007937 0.053733 0.067612 -0.007224 -0.046497 34O 1dz2 -0.012743 0.000833 -0.005431 -0.016047 -0.008445 -0.006870 34O 1dxz 0.001678 0.002204 0.000336 -0.002985 -0.004266 -0.007190 34O 1dyz 0.011264 0.000201 0.004109 0.000018 0.005238 -0.000908 34O 1dx2y2 0.016738 0.008854 0.010085 -0.005241 -0.006018 0.000814 34O 1dxy -0.008912 -0.002413 -0.006123 -0.008443 -0.002230 0.011635 34O 2dz2 0.078631 0.002992 0.043343 0.046788 0.013660 0.055635 34O 2dxz 0.040901 -0.031001 0.003368 0.050109 0.018258 0.049591 34O 2dyz 0.000565 0.019834 -0.006024 -0.038534 -0.008334 -0.011831 34O 2dx2y2 -0.131356 -0.040487 -0.062561 -0.093432 -0.029662 -0.117728 34O 2dxy 0.114470 0.028943 0.049040 0.057046 0.013581 0.054678 34O 1f0 0.009705 -0.019254 0.000952 0.026382 0.020928 0.012373 34O 1f+1 0.015862 0.030122 0.006609 -0.025480 -0.025023 0.004696 34O 1f-1 -0.008422 0.025099 -0.001167 -0.028053 -0.020524 -0.004262 34O 1f+2 0.017454 0.004342 0.006078 -0.002905 0.001036 -0.015633 34O 1f-2 0.037538 0.002485 0.003482 0.013593 0.007706 -0.003469 34O 1f+3 -0.018718 -0.007610 0.004217 0.009755 0.007361 0.003375 34O 1f-3 0.017667 0.000657 0.003227 -0.003642 -0.001568 -0.024203 35O 1s 0.006023 -0.002650 0.002208 -0.004767 0.000601 -0.007848 35O 2s 0.015909 -0.008758 0.006641 -0.014531 0.000443 -0.025561 35O 3s 0.003876 0.060294 -0.028304 0.072711 0.032385 0.195368 35O 4s -0.360847 -0.054194 -0.063710 0.064988 -0.170752 -0.362161 35O 5s -1.354214 0.158200 -0.065804 0.157888 -0.188599 0.531222 35O 1pz 0.030111 -0.005075 -0.017549 0.001616 0.008656 0.011624 35O 1px -0.016471 0.007502 -0.032821 0.033753 0.017598 0.005736 35O 1py -0.002987 0.013454 -0.007224 0.010728 -0.025312 0.025808 35O 2pz -0.148312 -0.003820 0.061609 0.029777 -0.058091 0.006115 35O 2px -0.503857 -0.004089 0.012182 0.054063 -0.153099 -0.030770 35O 2py -0.231060 0.003341 -0.032733 0.046786 0.026948 -0.070375 35O 3pz 0.344535 0.080057 -0.103503 0.140062 0.050635 -0.050147 35O 3px -0.181101 0.104262 -0.079762 0.251007 -0.059506 0.031251 35O 3py 0.226382 -0.007522 -0.010459 0.167183 -0.093073 -0.147656 35O 1dz2 -0.013627 0.002459 -0.013056 -0.001128 0.008752 -0.009404 35O 1dxz -0.004483 -0.002273 -0.002175 -0.007132 0.009877 -0.025160 35O 1dyz -0.015678 -0.005748 0.010762 -0.002152 -0.001692 -0.016730 35O 1dx2y2 0.011960 0.002421 -0.007348 -0.002694 0.007928 0.005070 35O 1dxy 0.008024 -0.003616 0.003220 -0.004352 0.004573 -0.018581 35O 2dz2 0.111838 -0.021349 0.004627 -0.036302 0.035520 0.005933 35O 2dxz -0.089935 -0.008065 -0.005508 0.019268 -0.025380 0.085615 35O 2dyz -0.062424 0.006199 0.007130 -0.001919 -0.004303 0.041703 35O 2dx2y2 -0.156946 -0.030179 0.008197 0.012051 -0.041083 -0.022844 35O 2dxy -0.131641 0.002296 -0.013376 0.036874 -0.023526 -0.038920 35O 1f0 0.004244 -0.021891 0.028233 0.006347 -0.022991 0.023125 35O 1f+1 -0.004743 0.011641 -0.019655 -0.002061 0.011965 0.011639 35O 1f-1 -0.013098 0.002227 -0.006778 0.008141 0.002836 -0.011073 35O 1f+2 0.009337 -0.008936 0.010980 -0.007072 0.000092 -0.019976 35O 1f-2 -0.006486 -0.019841 0.024717 0.010431 -0.024697 -0.016076 35O 1f+3 -0.000778 -0.013258 0.019014 -0.001549 -0.012149 -0.019520 35O 1f-3 0.025514 -0.013831 0.023962 -0.006827 -0.010366 -0.008172 576 577 578 579 580 581 3.95320 3.98359 3.99880 4.00053 4.03991 4.06134 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s -0.001248 -0.000702 -0.002881 0.001594 -0.004212 -0.005265 0Rh 2s 0.012347 0.006345 0.026271 -0.016137 0.034794 0.052074 0Rh 3s -0.000020 -0.000372 -0.001403 -0.000185 -0.004233 -0.000150 0Rh 4s -0.068471 -0.035291 -0.146210 0.089765 -0.194421 -0.289770 0Rh 5s 0.160813 0.081385 0.337028 -0.214437 0.436977 0.674464 0Rh 6s -0.172272 -0.080682 -0.331762 0.242583 -0.375542 -0.666479 0Rh 7s 0.270740 0.112787 0.533652 -0.392957 0.106963 0.779698 0Rh 8s -0.094953 0.109185 -0.125185 0.054170 0.140850 -0.672630 0Rh 1pz -0.007210 -0.001563 0.001922 -0.009060 0.003901 0.002062 0Rh 1px -0.006289 -0.000208 0.000718 0.005897 -0.002951 -0.005556 0Rh 1py 0.001187 -0.004128 -0.002600 0.001398 0.000090 -0.003445 0Rh 2pz 0.027814 0.005913 -0.007484 0.035277 -0.016011 -0.007402 0Rh 2px 0.024737 0.001062 -0.002786 -0.023965 0.010791 0.019804 0Rh 2py -0.004481 0.015773 0.011021 -0.005551 -0.000394 0.013158 0Rh 3pz -0.055910 -0.009276 0.016217 -0.077436 0.052747 0.002917 0Rh 3px -0.059862 -0.007580 0.005601 0.073684 -0.008432 -0.004473 0Rh 3py 0.007078 -0.028403 -0.043360 0.014339 0.001783 -0.023311 0Rh 4pz -0.002417 -0.012343 -0.002681 0.024448 -0.091453 0.051277 0Rh 4px 0.042614 0.022767 0.002885 -0.107987 -0.062674 -0.150857 0Rh 4py 0.007963 -0.015948 0.094160 -0.012107 -0.003911 -0.014320 0Rh 5pz 0.097416 0.042088 -0.025953 0.069799 0.151900 -0.092766 0Rh 5px -0.005096 -0.032429 -0.030918 0.126289 0.176099 0.260813 0Rh 5py -0.026772 0.083951 -0.164477 -0.003047 0.004067 0.054267 0Rh 6pz 0.077790 0.031392 0.080021 -0.000019 -0.725579 -0.467388 0Rh 6px 0.234774 -0.105157 0.255336 -0.360226 -0.424330 1.921543 0Rh 6py -0.023166 -0.225255 0.408136 0.156717 0.037182 0.365898 0Rh 1dz2 0.026247 0.013839 -0.026975 0.007625 0.034313 -0.077897 0Rh 1dxz -0.055260 -0.006343 0.025310 -0.079995 -0.057188 -0.099509 0Rh 1dyz -0.064844 -0.001333 -0.063046 -0.040683 -0.049123 -0.013327 0Rh 1dx2y2 -0.050694 0.000715 -0.023008 -0.000045 -0.047932 0.152272 0Rh 1dxy 0.006748 -0.061122 0.036288 -0.006270 -0.020554 0.042292 0Rh 2dz2 0.002634 0.002252 -0.003243 0.000241 0.006915 -0.012604 0Rh 2dxz -0.007303 -0.000463 0.003889 -0.010511 -0.010820 -0.016237 0Rh 2dyz -0.010047 -0.000877 -0.008288 -0.006526 -0.007796 -0.002490 0Rh 2dx2y2 -0.006897 -0.000134 -0.004039 -0.000073 -0.008380 0.024810 0Rh 2dxy 0.000263 -0.008377 0.009052 -0.000981 -0.002878 0.007305 0Rh 3dz2 -0.109830 -0.062692 0.116958 -0.029754 -0.161914 0.355866 0Rh 3dxz 0.240340 0.026081 -0.113443 0.350067 0.267929 0.456142 0Rh 3dyz 0.288930 0.008379 0.276296 0.183655 0.223026 0.062748 0Rh 3dx2y2 0.220874 -0.002028 0.105113 0.000662 0.220263 -0.697217 0Rh 3dxy -0.026116 0.267936 -0.178665 0.028507 0.091553 -0.196006 0Rh 4dz2 0.141832 0.094682 -0.164351 0.033025 0.246435 -0.546922 0Rh 4dxz -0.329611 -0.032199 0.163012 -0.487118 -0.412429 -0.706826 0Rh 4dyz -0.409743 -0.007022 -0.392617 -0.267252 -0.332752 -0.101339 0Rh 4dx2y2 -0.302263 -0.000657 -0.154405 -0.000077 -0.326055 1.077067 0Rh 4dxy 0.029613 -0.368306 0.283725 -0.042054 -0.132130 0.310671 0Rh 5dz2 -0.102154 -0.137136 0.184579 0.008528 -0.232581 0.779932 0Rh 5dxz 0.275293 -0.000331 -0.142087 0.385884 0.477793 1.047071 0Rh 5dyz 0.334578 -0.079460 0.441942 0.239957 0.377469 0.171659 0Rh 5dx2y2 0.226817 0.031247 0.153047 -0.024426 0.291909 -1.567978 0Rh 5dxy -0.019455 0.245745 -0.302360 0.035360 0.121542 -0.506868 0Rh 1f0 -0.010238 0.003418 -0.000202 0.008293 0.021529 0.050170 0Rh 1f+1 -0.003114 -0.006970 -0.009206 -0.019532 0.032704 -0.037980 0Rh 1f-1 0.008471 0.017896 -0.004282 0.006455 0.003276 -0.003513 0Rh 1f+2 -0.003579 0.015687 0.005394 -0.010971 -0.025179 -0.061110 0Rh 1f-2 0.002171 -0.024323 -0.021257 -0.005685 -0.014003 -0.024933 0Rh 1f+3 0.008754 0.011284 0.013004 -0.014602 0.007384 -0.070689 0Rh 1f-3 0.001355 0.011950 -0.033183 -0.011843 -0.000806 -0.044735 1Rh 1s 0.001187 0.000548 -0.002659 -0.001921 -0.004303 0.005181 1Rh 2s -0.011775 -0.005025 0.024004 0.019146 0.035709 -0.051398 1Rh 3s -0.000000 0.000250 -0.001441 0.000044 -0.004228 0.000058 1Rh 4s 0.065292 0.027941 -0.133606 -0.106512 -0.199505 0.285985 1Rh 5s -0.153434 -0.064759 0.306899 0.253142 0.448842 -0.665986 1Rh 6s 0.164652 0.065634 -0.297593 -0.281132 -0.387456 0.659350 1Rh 7s -0.253594 -0.099630 0.477626 0.461893 0.122143 -0.777955 1Rh 8s 0.091189 -0.109052 -0.109604 -0.071277 0.125234 0.675233 1Rh 1pz -0.006995 -0.001637 -0.000824 -0.009238 -0.003838 0.002004 1Rh 1px -0.006301 -0.000150 -0.001604 0.005697 0.003138 -0.005465 1Rh 1py 0.001196 -0.004121 0.002374 0.001645 0.000095 -0.003438 1Rh 2pz 0.026978 0.006207 0.003211 0.035973 0.015758 -0.007164 1Rh 2px 0.024777 0.000847 0.006365 -0.023183 -0.011489 0.019463 1Rh 2py -0.004521 0.015730 -0.010119 -0.006624 -0.000320 0.013140 1Rh 3pz -0.054176 -0.009978 -0.006879 -0.079014 -0.052024 0.002060 1Rh 3px -0.059841 -0.007347 -0.016154 0.071994 0.009320 -0.004009 1Rh 3py 0.007294 -0.027988 0.040892 0.019081 -0.000279 -0.023451 1Rh 4pz -0.002006 -0.012005 -0.000079 0.024918 0.090600 0.053016 1Rh 4px 0.042246 0.023601 0.011379 -0.107957 0.064911 -0.149772 1Rh 4py 0.007158 -0.017463 -0.091558 -0.023699 0.003693 -0.013503 1Rh 5pz 0.090406 0.042948 0.017159 0.072043 -0.151763 -0.096299 1Rh 5px -0.004592 -0.034414 0.014789 0.131226 -0.180965 0.257228 1Rh 5py -0.024015 0.087272 0.163403 0.018683 -0.005749 0.052355 1Rh 6pz 0.135570 0.026788 -0.074049 -0.007034 0.739087 -0.441099 1Rh 6px 0.239955 -0.106826 -0.187314 -0.392677 0.386656 1.931025 1Rh 6py -0.037078 -0.237713 -0.423067 0.093085 -0.042441 0.371194 1Rh 1dz2 -0.023627 -0.014451 -0.025411 -0.011030 0.033322 0.078410 1Rh 1dxz 0.050602 0.007578 0.016168 0.082787 -0.059877 0.098034 1Rh 1dyz 0.059474 -0.000083 -0.067019 0.031912 -0.049349 0.011524 1Rh 1dx2y2 0.047568 -0.001236 -0.022432 -0.002855 -0.045186 -0.153440 1Rh 1dxy -0.005362 0.061885 0.034670 0.011141 -0.020400 -0.043669 1Rh 2dz2 -0.002269 -0.002292 -0.003083 -0.000648 0.006731 0.012727 1Rh 2dxz 0.006673 0.000614 0.002695 0.010935 -0.011226 0.015978 1Rh 2dyz 0.009310 0.000693 -0.008945 0.005356 -0.007840 0.002237 1Rh 2dx2y2 0.006477 0.000018 -0.003967 -0.000442 -0.007931 -0.025000 1Rh 2dxy -0.000091 0.008568 0.008794 0.002176 -0.002825 -0.007529 1Rh 3dz2 0.098361 0.065188 0.110320 0.044506 -0.157297 -0.358386 1Rh 3dxz -0.220005 -0.031419 -0.073490 -0.362575 0.280052 -0.449302 1Rh 3dyz -0.265451 -0.002194 0.294287 -0.145130 0.224089 -0.054684 1Rh 3dx2y2 -0.207263 0.004505 0.102637 0.012629 0.207724 0.702547 1Rh 3dxy 0.020157 -0.271698 -0.171347 -0.052400 0.090704 0.202307 1Rh 4dz2 -0.125909 -0.097970 -0.155554 -0.053762 0.239140 0.550894 1Rh 4dxz 0.301398 0.039499 0.107637 0.505142 -0.430552 0.696377 1Rh 4dyz 0.377159 -0.001725 -0.418467 0.212401 -0.334377 0.089452 1Rh 4dx2y2 0.283456 -0.003049 -0.150917 -0.019552 -0.306782 -1.084961 1Rh 4dxy -0.021498 0.374296 0.273154 0.079879 -0.130335 -0.320114 1Rh 5dz2 0.089216 0.140957 0.178820 0.014905 -0.220523 -0.783402 1Rh 5dxz -0.251075 -0.004845 -0.100358 -0.402062 0.500601 -1.035200 1Rh 5dyz -0.305852 0.089659 0.461382 -0.178891 0.379462 -0.157998 1Rh 5dx2y2 -0.210639 -0.028050 0.148699 0.044606 0.263555 1.575169 1Rh 5dxy 0.013414 -0.252256 -0.293845 -0.075447 0.115481 0.516849 1Rh 1f0 -0.011360 0.003237 -0.000901 0.008124 -0.022450 0.049702 1Rh 1f+1 -0.004145 -0.006780 0.011642 -0.018205 -0.031834 -0.038590 1Rh 1f-1 0.008873 0.017897 0.003161 0.006842 -0.003392 -0.003573 1Rh 1f+2 -0.003427 0.015846 -0.004596 -0.011693 0.026054 -0.060512 1Rh 1f-2 0.002733 -0.023792 0.022497 -0.002903 0.014530 -0.024659 1Rh 1f+3 0.008676 0.011054 -0.011223 -0.016235 -0.006138 -0.070601 1Rh 1f-3 0.001553 0.012838 0.033953 -0.007449 0.001620 -0.045086 2C 1s 0.002892 -0.005074 0.007662 -0.005229 -0.005262 0.000966 2C 2s 0.009547 -0.014461 0.023392 -0.014455 -0.016580 0.003876 2C 3s -0.207069 0.038320 -0.256856 -0.009857 0.124982 -0.094487 2C 4s 0.993610 0.640905 0.462294 0.989887 0.303393 0.334349 2C 5s -0.488145 -0.567045 0.048069 -0.509629 0.396730 0.031968 2C 1pz -0.049649 0.081282 -0.138660 0.062915 0.094591 -0.036755 2C 1px -0.022912 0.031559 -0.027733 0.020435 0.022422 -0.009489 2C 1py -0.065054 0.049003 -0.098060 0.049886 0.063453 -0.025055 2C 2pz 0.194970 0.379924 0.220346 0.701816 0.291246 0.129059 2C 2px 0.927015 -0.883597 1.112487 -0.740889 -1.022730 0.338217 2C 2py 1.018340 0.089814 0.417698 0.035484 -0.266699 0.171558 2C 3pz 0.031955 -0.169519 0.112324 -0.138910 -0.012816 0.068852 2C 3px -0.172715 0.193311 -0.205160 0.187170 0.342528 -0.250157 2C 3py -0.178306 -0.026848 0.011218 -0.030207 0.126216 -0.020910 2C 1dz2 -0.039114 0.080973 -0.088923 0.053382 0.054964 -0.052582 2C 1dxz -0.060559 0.079566 -0.135209 0.050752 0.058093 0.046378 2C 1dyz 0.101039 -0.037697 0.039325 -0.025549 -0.061296 -0.000899 2C 1dx2y2 0.141874 -0.148387 0.167859 -0.171388 -0.182669 0.032294 2C 1dxy -0.114152 -0.006063 -0.016951 0.022978 0.027224 0.047286 2C 2dz2 0.041997 -0.084800 0.198815 0.040710 -0.106598 0.069599 2C 2dxz 0.107437 0.081233 -0.056065 0.136169 0.175838 -0.064916 2C 2dyz 0.445324 -0.216688 0.517330 -0.199714 -0.404329 0.151628 2C 2dx2y2 0.125677 -0.239710 0.193661 -0.203643 -0.257518 0.049849 2C 2dxy 0.030266 -0.023531 0.072059 0.053940 0.040898 -0.007000 2C 1f0 -0.139247 -0.026385 -0.000961 -0.001614 -0.046540 0.007723 2C 1f+1 -0.035731 -0.240697 0.094899 -0.229752 -0.190798 0.005689 2C 1f-1 -0.091788 0.059968 0.025303 0.070275 0.022588 0.020717 2C 1f+2 -0.159416 0.061978 -0.121531 0.088875 0.116801 -0.028095 2C 1f-2 0.173989 -0.144184 0.082259 -0.120421 -0.085088 0.007933 2C 1f+3 0.221218 -0.212750 0.222229 -0.199310 -0.194247 0.021642 2C 1f-3 0.099800 -0.148114 0.148223 -0.173332 -0.182694 0.024670 3C 1s 0.000866 0.005647 -0.005160 -0.004577 -0.003300 -0.000002 3C 2s 0.004839 0.016269 -0.016997 -0.012762 -0.010768 0.000716 3C 3s -0.224299 -0.078986 0.255495 0.039734 0.147521 -0.009438 3C 4s 1.268674 -0.436481 -0.742916 0.479435 -0.282608 -0.116641 3C 5s -0.818200 0.345553 0.171573 -0.400109 -0.369114 0.238413 3C 1pz -0.031950 -0.053314 0.071448 0.031208 0.038962 -0.004859 3C 1px -0.016393 -0.049692 0.047436 0.039065 0.023266 -0.005903 3C 1py 0.046893 0.083550 -0.102246 -0.065904 -0.064756 0.017483 3C 2pz 0.327269 -0.314642 -0.087831 0.435152 0.202471 -0.195299 3C 2px 0.604031 1.068698 -1.354241 -1.008235 -0.967355 0.301158 3C 2py -0.697505 0.274013 0.348550 -0.269052 0.160842 0.119672 3C 3pz -0.006984 0.142805 -0.038421 -0.081887 -0.150432 0.110104 3C 3px -0.164595 -0.214597 0.281097 0.216321 0.178070 -0.235236 3C 3py 0.132133 -0.082087 0.046109 0.138031 0.128199 -0.078103 3C 1dz2 0.008830 0.008758 -0.037868 -0.030082 -0.000286 -0.026187 3C 1dxz -0.054389 -0.212004 0.214039 0.189337 0.142645 -0.007217 3C 1dyz -0.028244 -0.029518 0.073922 0.064338 0.079810 0.024357 3C 1dx2y2 0.024537 0.087233 -0.073735 -0.091493 -0.080410 0.064699 3C 1dxy -0.010365 -0.029515 0.029511 0.026803 0.042595 -0.077364 3C 2dz2 -0.050605 0.020111 0.036431 0.061796 0.024301 0.008362 3C 2dxz -0.029911 -0.253721 0.226663 0.290982 0.285048 -0.139586 3C 2dyz -0.312345 -0.305884 0.470788 0.210358 0.338553 -0.075073 3C 2dx2y2 -0.122717 0.018583 0.087702 -0.007290 0.066539 -0.009295 3C 2dxy -0.150161 -0.148416 0.241490 0.118826 0.068562 0.047579 3C 1f0 -0.055366 -0.132746 0.152584 0.124410 0.096447 -0.012684 3C 1f+1 0.056367 0.190089 -0.170048 -0.165129 -0.178969 0.048728 3C 1f-1 -0.022079 0.065770 0.016325 -0.095906 -0.060936 0.040085 3C 1f+2 -0.003483 0.259666 -0.145888 -0.246941 -0.161060 0.040035 3C 1f-2 -0.081501 -0.294459 0.244926 0.251718 0.213907 -0.054520 3C 1f+3 -0.023218 0.123621 -0.036734 -0.095246 -0.039672 0.026346 3C 1f-3 0.028575 -0.013299 -0.006165 0.016811 0.063263 -0.038380 4C 1s -0.002261 -0.012422 0.005058 -0.014597 -0.014325 0.000771 4C 2s -0.004616 -0.032372 0.016454 -0.037173 -0.035132 0.002546 4C 3s -0.106024 0.210480 -0.283781 0.180812 0.165672 -0.081407 4C 4s 0.505060 0.213338 0.540071 0.491668 0.600220 0.293247 4C 5s 0.538818 -0.097770 0.510915 0.036074 -0.347618 0.273122 4C 1pz -0.084727 -0.125939 0.059535 -0.137984 -0.079271 0.007965 4C 1px 0.042444 -0.021276 0.039786 -0.028509 -0.047254 -0.046019 4C 1py 0.002326 -0.074406 0.047628 -0.097232 -0.067966 -0.013649 4C 2pz 1.226544 0.584107 0.517383 0.964211 0.385318 0.349946 4C 2px 0.173397 -0.153560 0.778766 -0.266890 -0.711269 0.135602 4C 2py 0.577395 0.225721 0.589206 0.527403 -0.003432 0.255039 4C 3pz -0.290637 -0.193389 0.141178 -0.176988 0.630451 -0.051678 4C 3px -0.086153 -0.171758 0.157794 -0.170118 -0.060350 0.192277 4C 3py -0.158678 -0.235800 0.141816 -0.106192 0.365995 0.022005 4C 1dz2 -0.075178 0.122875 -0.132592 0.119262 0.120309 0.055105 4C 1dxz -0.011269 -0.037430 -0.050785 -0.069413 -0.027923 -0.136743 4C 1dyz 0.080527 0.144552 -0.054377 0.182488 0.160175 0.003598 4C 1dx2y2 0.042065 -0.007195 0.113712 0.000959 -0.012708 0.018257 4C 1dxy 0.068827 0.017226 0.051879 0.013406 0.013159 -0.083444 4C 2dz2 -0.531261 -0.209221 -0.170234 -0.213713 -0.004809 -0.212253 4C 2dxz -0.091869 -0.361775 0.224694 -0.440624 -0.493570 0.190918 4C 2dyz -0.236498 -0.245364 -0.026625 -0.412429 -0.242016 -0.057203 4C 2dx2y2 0.232296 0.178675 0.052553 0.371009 0.186431 0.093929 4C 2dxy 0.244994 -0.191568 0.379081 -0.145356 -0.158052 0.231945 4C 1f0 0.222357 -0.202432 0.171007 -0.247315 -0.198889 0.018348 4C 1f+1 -0.243918 0.185764 -0.354514 0.092244 0.150853 -0.104064 4C 1f-1 0.059651 0.038546 -0.070939 0.048517 0.011130 0.006754 4C 1f+2 0.154054 0.168463 -0.015554 0.192423 0.166267 0.018995 4C 1f-2 -0.120431 0.214982 -0.115392 0.209448 0.192230 -0.032673 4C 1f+3 -0.034264 0.170595 -0.134540 0.226242 0.273351 -0.032145 4C 1f-3 -0.206308 -0.026458 -0.206183 -0.030967 0.087016 -0.066681 5C 1s -0.003790 0.011702 -0.003975 -0.009144 -0.005980 0.002598 5C 2s -0.008364 0.030675 -0.011208 -0.023605 -0.014230 0.006298 5C 3s -0.057044 -0.209505 0.137501 0.155563 -0.043984 -0.006221 5C 4s 0.482860 -0.193610 -0.158596 0.185937 0.773755 -0.180311 5C 5s 0.632483 0.177438 -0.451029 -0.147331 -0.220723 0.001507 5C 1pz -0.031603 0.064074 -0.013049 -0.038155 -0.015660 0.028957 5C 1px -0.056945 0.045054 -0.036039 -0.079693 -0.040131 -0.035395 5C 1py 0.069667 -0.099078 0.009771 0.080732 0.041371 -0.038223 5C 2pz 0.530709 -0.315125 -0.217212 0.212210 0.151871 -0.109761 5C 2px 0.905511 0.187369 -0.852969 -0.004201 -0.636552 0.004311 5C 2py -1.139273 0.294646 0.744140 -0.345886 -0.043667 0.191460 5C 3pz -0.326480 -0.021727 0.051909 -0.159878 -0.183913 0.003880 5C 3px -0.005599 0.108903 -0.037623 -0.106398 -0.271583 0.221040 5C 3py 0.448843 -0.123714 -0.090544 0.155751 0.357948 -0.028758 5C 1dz2 -0.043870 0.022002 0.014039 -0.034215 -0.027058 0.053082 5C 1dxz -0.007826 0.004834 0.024643 -0.009121 -0.005587 -0.063963 5C 1dyz -0.096497 0.159076 -0.024952 -0.134458 -0.095094 -0.009954 5C 1dx2y2 0.045371 0.107756 -0.131455 -0.104232 -0.061059 -0.055225 5C 1dxy -0.036499 -0.027199 0.011210 0.021918 0.032357 0.118894 5C 2dz2 -0.114659 -0.070139 0.078717 0.120371 0.125388 -0.099379 5C 2dxz -0.207156 0.310545 -0.070559 -0.278127 -0.301917 0.193815 5C 2dyz 0.322135 -0.115994 -0.207358 0.075456 -0.134178 0.069648 5C 2dx2y2 0.562574 -0.084535 -0.377258 0.124714 -0.073340 0.035236 5C 2dxy 0.167954 -0.313358 0.237208 0.327538 0.126347 -0.284862 5C 1f0 -0.039625 0.114321 -0.055381 -0.078298 -0.054578 0.046556 5C 1f+1 -0.153535 0.005670 0.182874 -0.007372 -0.000518 0.020926 5C 1f-1 0.033488 -0.038595 -0.006005 0.067290 0.012898 -0.039828 5C 1f+2 -0.115879 -0.213881 0.231347 0.175924 0.179123 -0.071496 5C 1f-2 0.077182 0.102327 -0.154526 -0.076459 0.020448 0.005003 5C 1f+3 -0.216090 -0.341589 0.344365 0.294037 0.328451 -0.079703 5C 1f-3 0.064218 -0.288398 0.123932 0.257310 0.232060 -0.088363 6C 1s 0.004408 -0.012149 -0.005067 0.008739 -0.005985 -0.002639 6C 2s 0.010030 -0.031846 -0.014049 0.022427 -0.014262 -0.006399 6C 3s 0.041829 0.217161 0.158041 -0.138102 -0.041804 0.004696 6C 4s -0.475989 0.204220 -0.145929 -0.215455 0.766430 0.193041 6C 5s -0.627215 -0.195909 -0.477067 0.090709 -0.227515 -0.002817 6C 1pz -0.035069 0.065995 0.017300 -0.037060 0.015179 0.029134 6C 1px -0.059914 0.047095 0.045277 -0.075045 0.040898 -0.035105 6C 1py 0.073604 -0.102091 -0.019408 0.080239 -0.041135 -0.038737 6C 2pz 0.539139 -0.313414 0.197148 0.241424 -0.145156 -0.105946 6C 2px 0.933328 0.209159 0.860346 0.108537 0.637649 0.014482 6C 2py -1.146245 0.280734 -0.708420 -0.443486 0.035223 0.183154 6C 3pz -0.311924 -0.027236 -0.028021 -0.169180 0.181613 0.007431 6C 3px 0.004140 0.111742 0.052872 -0.099563 0.263461 0.225924 6C 3py 0.424854 -0.116622 0.067239 0.171207 -0.350911 -0.034520 6C 1dz2 0.044635 -0.022609 0.010386 0.036779 -0.026203 -0.053314 6C 1dxz 0.010299 -0.004258 0.024108 0.012046 -0.005803 0.064784 6C 1dyz 0.104245 -0.163649 -0.040243 0.132006 -0.094972 0.009528 6C 1dx2y2 -0.037873 -0.113045 -0.142081 0.086768 -0.062771 0.053483 6C 1dxy 0.034140 0.026237 0.011661 -0.019057 0.032815 -0.119335 6C 2dz2 0.116385 0.071768 0.095421 -0.108937 0.124428 0.101236 6C 2dxz 0.217863 -0.316909 -0.097957 0.268946 -0.297071 -0.198080 6C 2dyz -0.333242 0.112683 -0.201042 -0.103165 -0.133274 -0.073495 6C 2dx2y2 -0.569310 0.078887 -0.366158 -0.174991 -0.071733 -0.036915 6C 2dxy -0.185595 0.326517 0.276740 -0.297544 0.122580 0.284422 6C 1f0 -0.042585 0.118495 0.065080 -0.071814 0.053033 0.045812 6C 1f+1 -0.155311 0.000900 -0.182967 -0.031139 -0.001069 0.020485 6C 1f-1 0.034923 -0.039425 -0.002558 0.067241 -0.011696 -0.039016 6C 1f+2 -0.106190 -0.221361 -0.247682 0.143938 -0.174846 -0.072578 6C 1f-2 0.064282 0.107796 0.160946 -0.055788 -0.020728 0.004947 6C 1f+3 -0.204131 -0.352272 -0.372789 0.246217 -0.324197 -0.083842 6C 1f-3 0.080214 -0.294542 -0.145845 0.239338 -0.225370 -0.089090 7C 1s 0.001868 0.012417 0.002955 0.015258 -0.014579 -0.001145 7C 2s 0.003599 0.032486 0.011018 0.039316 -0.035751 -0.003435 7C 3s 0.113795 -0.218494 -0.250436 -0.216728 0.166875 0.084292 7C 4s -0.508653 -0.184448 0.584305 -0.427816 0.616654 -0.275457 7C 5s -0.551767 0.110989 0.492654 0.030612 -0.345878 -0.288816 7C 1pz -0.081886 -0.126465 -0.041470 -0.145715 0.081302 0.009540 7C 1px 0.043204 -0.021417 -0.035008 -0.033331 0.048201 -0.044969 7C 1py 0.001680 -0.075362 -0.034399 -0.104158 0.070240 -0.012245 7C 2pz 1.200022 0.563104 -0.608838 0.894007 -0.405629 0.334400 7C 2px 0.183626 -0.171574 -0.728658 -0.367579 0.706310 0.153775 7C 2py 0.586109 0.208621 -0.638473 0.452960 -0.012278 0.253650 7C 3pz -0.332746 -0.192265 -0.117932 -0.188046 -0.623813 -0.067263 7C 3px -0.083880 -0.174826 -0.130553 -0.189628 0.059175 0.196328 7C 3py -0.182497 -0.236476 -0.126692 -0.119903 -0.363131 0.014306 7C 1dz2 0.071884 -0.123414 -0.110717 -0.135018 0.121182 -0.052825 7C 1dxz 0.012625 0.033812 -0.060190 0.061244 -0.030378 0.135005 7C 1dyz -0.075062 -0.144740 -0.031237 -0.190470 0.164805 0.000606 7C 1dx2y2 -0.042175 0.010626 0.112158 0.014158 -0.012363 -0.017698 7C 1dxy -0.066765 -0.015845 0.052259 -0.006652 0.011738 0.084002 7C 2dz2 0.517619 0.202148 -0.188587 0.190680 -0.012651 0.211633 7C 2dxz 0.077980 0.362703 0.167608 0.468304 -0.494998 -0.203035 7C 2dyz 0.230946 0.245325 -0.074304 0.410517 -0.252381 0.050953 7C 2dx2y2 -0.237592 -0.174307 0.095223 -0.366320 0.195164 -0.088991 7C 2dxy -0.236707 0.197364 0.347405 0.190067 -0.150799 -0.235434 7C 1f0 0.202561 -0.199222 -0.124716 -0.264343 0.197432 0.023475 7C 1f+1 -0.237737 0.188187 0.325122 0.131933 -0.145246 -0.106629 7C 1f-1 0.059200 0.040429 0.064662 0.057003 -0.011033 0.006943 7C 1f+2 0.148204 0.163018 -0.009483 0.190185 -0.166326 0.013128 7C 1f-2 -0.117891 0.214067 0.080384 0.221862 -0.193660 -0.037970 7C 1f+3 -0.037866 0.172320 0.099781 0.243501 -0.275801 -0.039053 7C 1f-3 -0.204774 -0.019383 0.203816 -0.003246 -0.085505 -0.068115 8C 1s -0.000621 -0.005918 -0.005704 0.003942 -0.003363 -0.000063 8C 2s -0.004172 -0.017128 -0.018533 0.010670 -0.010949 -0.000953 8C 3s 0.224300 0.088425 0.261927 -0.007997 0.149479 0.014071 8C 4s -1.306238 0.424584 -0.694986 -0.574918 -0.287791 0.101951 8C 5s 0.813506 -0.341409 0.120918 0.427092 -0.355750 -0.244512 8C 1pz -0.029982 -0.056500 -0.075080 0.022486 -0.039310 -0.005894 8C 1px -0.012769 -0.052246 -0.051857 0.033182 -0.023520 -0.006612 8C 1py 0.043663 0.088599 0.110789 -0.053415 0.065611 0.019157 8C 2pz 0.337959 -0.314647 0.041906 0.442275 -0.197453 -0.195147 8C 2px 0.544878 1.117229 1.456535 -0.825316 0.954342 0.312258 8C 2py -0.725401 0.266031 -0.325793 -0.312045 -0.169781 0.109215 8C 3pz -0.006920 0.144987 0.047685 -0.077052 0.146683 0.111873 8C 3px -0.152479 -0.224809 -0.302099 0.176938 -0.171674 -0.235598 8C 3py 0.132457 -0.083764 -0.063345 0.132742 -0.124395 -0.080287 8C 1dz2 -0.004726 -0.006754 -0.037363 0.022492 0.001351 0.026809 8C 1dxz 0.041065 0.219466 0.232725 -0.159522 0.140051 0.007884 8C 1dyz 0.028114 0.033453 0.082138 -0.055298 0.081341 -0.022708 8C 1dx2y2 -0.022815 -0.092400 -0.085594 0.083229 -0.080659 -0.066530 8C 1dxy 0.008439 0.027730 0.028611 -0.020543 0.037610 0.076601 8C 2dz2 0.052740 -0.012246 0.052318 -0.061621 0.032647 -0.004663 8C 2dxz 0.020793 0.259284 0.253685 -0.256906 0.276908 0.140307 8C 2dyz 0.303432 0.327199 0.497087 -0.152005 0.339848 0.082239 8C 2dx2y2 0.126288 -0.018258 0.085688 0.020132 0.064975 0.010207 8C 2dxy 0.135169 0.156387 0.252665 -0.085732 0.068140 -0.046348 8C 1f0 -0.045991 -0.135690 -0.161856 0.101687 -0.093523 -0.013380 8C 1f+1 0.047327 0.197686 0.186359 -0.143436 0.176474 0.050071 8C 1f-1 -0.025367 0.063682 -0.006974 -0.095134 0.056930 0.038856 8C 1f+2 -0.021073 0.265294 0.168626 -0.225507 0.156690 0.040309 8C 1f-2 -0.062444 -0.302142 -0.266549 0.216883 -0.208692 -0.056315 8C 1f+3 -0.030019 0.132752 0.052918 -0.094672 0.042854 0.027941 8C 1f-3 0.021358 -0.015555 -0.000640 0.019297 -0.064378 -0.039260 9C 1s -0.002937 0.005247 0.006757 0.006226 -0.005338 -0.001031 9C 2s -0.009666 0.014973 0.020812 0.017509 -0.016764 -0.004115 9C 3s 0.205458 -0.044279 -0.248811 -0.024067 0.123261 0.096358 9C 4s -0.970680 -0.625367 0.565440 -0.927880 0.326101 -0.325142 9C 5s 0.521355 0.560140 -0.018826 0.506217 0.387534 -0.022246 9C 1pz -0.051623 0.084206 0.126248 0.080983 -0.094778 -0.038196 9C 1px -0.022918 0.031723 0.023468 0.023743 -0.022445 -0.009917 9C 1py -0.064243 0.051524 0.088510 0.063078 -0.064428 -0.026305 9C 2pz 0.203960 0.366758 -0.301715 0.668027 -0.302873 0.117366 9C 2px 0.909652 -0.889349 -0.962731 -0.869046 1.014532 0.362214 9C 2py 0.986112 0.081043 -0.401252 -0.018342 0.264063 0.177896 9C 3pz 0.022467 -0.169091 -0.089578 -0.150504 0.014695 0.069267 9C 3px -0.176612 0.194451 0.169476 0.210294 -0.336508 -0.260440 9C 3py -0.181766 -0.027351 -0.009302 -0.031589 -0.127212 -0.025723 9C 1dz2 0.037856 -0.081106 -0.076158 -0.063054 0.053196 0.053098 9C 1dxz 0.064594 -0.085017 -0.127487 -0.070896 0.062906 -0.044838 9C 1dyz -0.096719 0.034724 0.030386 0.028127 -0.059759 -0.000354 9C 1dx2y2 -0.140749 0.147764 0.137688 0.190420 -0.182413 -0.036298 9C 1dxy 0.104227 0.011151 -0.008715 -0.019011 0.021834 -0.048104 9C 2dz2 -0.048484 0.090522 0.196686 -0.013453 -0.105191 -0.070748 9C 2dxz -0.098231 -0.084702 -0.040605 -0.147355 0.182045 0.072520 9C 2dyz -0.442142 0.224508 0.469443 0.264591 -0.402252 -0.159401 9C 2dx2y2 -0.125376 0.236186 0.153574 0.223577 -0.255173 -0.056182 9C 2dxy -0.043409 0.035280 0.086424 -0.033698 0.029471 0.006248 9C 1f0 -0.128135 -0.023698 -0.000803 0.001460 0.043437 0.009099 9C 1f+1 -0.025251 -0.241864 -0.063667 -0.243814 0.198201 0.012110 9C 1f-1 -0.083701 0.052512 -0.040841 0.060396 -0.018589 0.019523 9C 1f+2 -0.148872 0.059514 0.099295 0.099816 -0.112553 -0.030539 9C 1f-2 0.160294 -0.139335 -0.055323 -0.125071 0.081148 0.009603 9C 1f+3 0.208352 -0.206994 -0.178184 -0.217763 0.186726 0.024024 9C 1f-3 0.100949 -0.153577 -0.122691 -0.196315 0.188541 0.029717 10H 1s -0.086115 0.128005 -0.123326 0.143500 0.181630 -0.033159 10H 2s -0.556387 0.595505 -0.708577 0.556496 0.728882 -0.224749 10H 3s 0.271283 -0.174198 0.263928 -0.160584 -0.326462 0.161521 10H 1pz -0.178694 0.076659 -0.172219 0.056663 0.120454 -0.052430 10H 1px 0.218350 -0.295797 0.301600 -0.291599 -0.328077 0.050207 10H 1py -0.019185 -0.023337 -0.023120 -0.034367 -0.002126 -0.021431 11H 1s -0.001407 -0.106395 0.113889 -0.106233 -0.129480 0.029430 11H 2s 0.046178 -0.361741 0.436512 -0.242206 -0.311801 0.067667 11H 3s 0.020333 0.188246 -0.133143 0.136807 0.130280 -0.099753 11H 1pz 0.015909 -0.101588 0.144481 -0.051504 -0.064477 0.012364 11H 1px 0.043926 -0.151231 0.164992 -0.114823 -0.144900 0.024703 11H 1py 0.047594 0.017553 -0.008494 0.009755 0.019321 -0.000393 12H 1s 0.146603 -0.151846 0.169820 -0.144763 -0.183349 0.031086 12H 2s 0.634401 -0.378416 0.465233 -0.504965 -0.588201 0.085466 12H 3s -0.228635 0.202278 -0.138726 0.230173 0.254635 -0.112656 12H 1pz -0.134243 0.040497 -0.056811 0.027819 0.049491 -0.004029 12H 1px 0.144819 -0.128457 0.131168 -0.155809 -0.184275 0.021395 12H 1py 0.248010 -0.130957 0.161967 -0.185688 -0.214736 0.014936 13H 1s -0.066378 -0.166969 0.165495 0.151697 0.181828 -0.061893 13H 2s -0.248821 -0.685441 0.741983 0.699767 0.654447 -0.264324 13H 3s 0.180670 0.223674 -0.291915 -0.235042 -0.226640 0.147346 13H 1pz -0.079836 -0.164131 0.205783 0.168474 0.158136 -0.052840 13H 1px 0.071797 0.319286 -0.280840 -0.303638 -0.270154 0.077235 13H 1py 0.079335 0.036138 -0.120838 -0.053540 -0.064719 0.018559 14H 1s 0.038050 0.193367 -0.182959 -0.192425 -0.170227 0.048873 14H 2s 0.180040 0.632707 -0.671364 -0.574417 -0.473839 0.126117 14H 3s -0.007431 -0.262328 0.271649 0.269862 0.164734 -0.148746 14H 1pz 0.006777 0.083935 -0.095970 -0.075211 -0.044800 0.003797 14H 1px 0.071662 0.294383 -0.298978 -0.270322 -0.220209 0.048257 14H 1py 0.050257 0.052816 -0.073408 -0.062280 -0.068754 0.001563 15H 1s 0.011068 0.099441 -0.080536 -0.078772 -0.072269 0.026707 15H 2s 0.094068 0.232200 -0.229949 -0.272599 -0.292604 0.048771 15H 3s -0.002162 -0.140703 0.055856 0.121629 0.122886 -0.090800 15H 1pz -0.019627 -0.051752 0.041113 0.053184 0.072872 -0.014162 15H 1px 0.026255 0.098379 -0.090337 -0.101359 -0.092544 0.023280 15H 1py -0.025115 -0.073371 0.081599 0.100408 0.095481 -0.006287 16H 1s -0.420037 -0.092575 0.157632 -0.119701 -0.214530 0.070236 16H 2s -0.647056 -0.164494 0.358746 -0.360713 -0.372400 0.040525 16H 3s 0.154099 0.039564 -0.068280 0.064685 0.007131 -0.048454 16H 1pz -0.520411 -0.128139 0.225701 -0.195663 -0.270262 0.061317 16H 1px 0.080216 0.016549 -0.036722 0.052913 0.066916 0.053562 16H 1py -0.285154 -0.058161 0.092067 -0.090736 -0.142690 0.030065 17H 1s 0.390360 0.049340 -0.175035 0.180105 0.198487 0.044742 17H 2s 0.712666 0.081827 -0.046135 0.154336 0.383396 -0.009160 17H 3s -0.152150 -0.048937 0.072416 -0.026304 -0.046522 -0.035549 17H 1pz -0.277937 -0.027874 0.079556 -0.102224 -0.123196 -0.057462 17H 1px -0.380767 -0.040407 0.079677 -0.136321 -0.216759 0.031464 17H 1py 0.337491 0.049537 -0.128252 0.137900 0.176206 0.017707 18H 1s -0.357956 -0.059200 -0.156022 -0.204301 0.202653 -0.040810 18H 2s -0.648867 -0.092025 -0.039286 -0.161641 0.389471 0.018811 18H 3s 0.141499 0.051704 0.068814 0.035890 -0.047765 0.034334 18H 1pz -0.262400 -0.035055 -0.072771 -0.117220 0.131322 -0.055017 18H 1px -0.348458 -0.047823 -0.068645 -0.148254 0.220303 0.036592 18H 1py 0.300155 0.056263 0.112433 0.151854 -0.174486 0.012970 19H 1s 0.385722 0.101681 0.147649 0.141207 -0.216001 -0.074275 19H 2s 0.599277 0.181411 0.319585 0.409749 -0.374467 -0.047152 19H 3s -0.144547 -0.043102 -0.060292 -0.073648 0.007756 0.048523 19H 1pz -0.474232 -0.138433 -0.204753 -0.223816 0.268378 0.065598 19H 1px 0.077439 0.019748 0.033202 0.059514 -0.070433 0.051395 19H 1py -0.272465 -0.066985 -0.088617 -0.108271 0.149586 0.034798 20H 1s -0.007609 -0.104587 -0.090665 0.069361 -0.072631 -0.028288 20H 2s -0.092079 -0.247527 -0.265226 0.245353 -0.298126 -0.055384 20H 3s -0.000659 0.146225 0.071761 -0.116059 0.123287 0.093516 20H 1pz -0.020505 -0.054682 -0.048474 0.048305 -0.073286 -0.015262 20H 1px 0.022130 0.103025 0.101529 -0.089994 0.092918 0.024624 20H 1py -0.024368 -0.078365 -0.093983 0.090447 -0.097609 -0.008756 21H 1s -0.027275 -0.199525 -0.200874 0.166880 -0.166988 -0.050080 21H 2s -0.141837 -0.654467 -0.725170 0.479920 -0.461928 -0.127036 21H 3s -0.009137 0.271152 0.298467 -0.231957 0.157448 0.148146 21H 1pz 0.000728 0.089140 0.105213 -0.063141 0.044902 0.003819 21H 1px 0.053342 0.303519 0.323422 -0.227742 0.214615 0.048878 21H 1py 0.046025 0.054366 0.077865 -0.051781 0.067654 0.002245 22H 1s 0.060763 0.172076 0.179850 -0.128630 0.178231 0.063182 22H 2s 0.216783 0.713307 0.815140 -0.598730 0.644640 0.271628 22H 3s -0.169262 -0.234436 -0.316711 0.195126 -0.222561 -0.149100 22H 1pz -0.071989 -0.170171 -0.222329 0.139270 -0.155048 -0.054400 22H 1px 0.056056 0.330982 0.312182 -0.265770 0.266387 0.079711 22H 1py 0.078499 0.040889 0.127899 -0.038216 0.065703 0.020193 23H 1s -0.141074 0.151048 0.140876 0.162923 -0.181327 -0.034768 23H 2s -0.610741 0.373810 0.371113 0.553319 -0.583539 -0.097943 23H 3s 0.222354 -0.198927 -0.097423 -0.242124 0.252698 0.119201 23H 1pz -0.126252 0.039028 0.046312 0.032998 -0.047875 -0.005231 23H 1px 0.137189 -0.125146 -0.101195 -0.166714 0.180501 0.025556 23H 1py 0.240223 -0.130622 -0.129624 -0.204458 0.215533 0.019708 24H 1s -0.003815 0.108813 0.097368 0.121885 -0.132232 -0.032721 24H 2s -0.063014 0.372801 0.394058 0.301667 -0.318374 -0.075709 24H 3s -0.012929 -0.191521 -0.111088 -0.154334 0.131126 0.105131 24H 1pz 0.019264 -0.104481 -0.133076 -0.070255 0.065054 0.013027 24H 1px 0.047348 -0.155036 -0.145293 -0.136959 0.147818 0.028465 24H 1py 0.041756 0.016839 0.007142 0.010311 -0.019554 -0.001014 25H 1s 0.083294 -0.126758 -0.097139 -0.156388 0.180963 0.038482 25H 2s 0.549013 -0.597558 -0.603168 -0.638892 0.726001 0.243911 25H 3s -0.272061 0.176065 0.230434 0.191724 -0.322794 -0.170551 25H 1pz -0.176542 0.080018 0.158887 0.078844 -0.120291 -0.055666 25H 1px 0.213780 -0.295057 -0.248511 -0.325220 0.327435 0.058532 25H 1py -0.019579 -0.024764 0.026094 -0.033688 0.005390 -0.020918 26O 1s 0.004631 -0.006648 0.013665 -0.004631 -0.003550 0.005912 26O 2s 0.010217 -0.022923 0.040777 -0.017330 -0.010404 0.018737 26O 3s 0.050281 0.185213 -0.179304 0.167845 0.026055 -0.112265 26O 4s -0.561345 -0.375493 -0.113956 -0.428826 0.237411 0.095296 26O 5s -0.448687 0.468613 -1.319124 0.249760 -0.318980 -1.127319 26O 1pz 0.029116 -0.014129 -0.022052 -0.012393 0.012029 0.031465 26O 1px 0.025459 -0.022325 0.030788 -0.011231 -0.036354 0.033006 26O 1py 0.059661 -0.026576 0.019314 -0.014567 -0.000223 0.038690 26O 2pz 0.000401 -0.055502 0.157061 -0.077938 -0.124248 -0.088696 26O 2px 0.327335 0.034398 0.446446 0.062740 -0.104001 0.096312 26O 2py 0.008800 0.011967 0.186742 -0.002466 -0.126809 -0.037825 26O 3pz 0.108443 0.068233 -0.147305 0.123423 -0.088275 -0.364956 26O 3px 0.233069 -0.039831 0.310141 0.162753 0.042505 -0.056380 26O 3py 0.225207 0.074167 -0.060229 0.071058 -0.200790 -0.236484 26O 1dz2 0.001024 0.004123 -0.003822 0.009584 0.011668 0.006608 26O 1dxz 0.022349 -0.029622 0.025407 -0.025573 -0.024438 0.006879 26O 1dyz 0.015373 -0.002913 0.002045 0.001906 -0.010179 0.012642 26O 1dx2y2 0.002968 0.006864 0.002924 0.007914 0.005926 -0.003401 26O 1dxy 0.018434 -0.013683 0.023526 -0.006774 -0.005212 0.004234 26O 2dz2 0.083365 0.025897 0.108603 0.048271 -0.010864 -0.025360 26O 2dxz -0.095286 0.120329 -0.169432 0.115598 0.122482 -0.048251 26O 2dyz -0.007835 0.086328 -0.087924 0.080991 0.040727 -0.055182 26O 2dx2y2 -0.095859 -0.052420 -0.118478 -0.071977 -0.037867 0.029579 26O 2dxy -0.079105 0.024899 -0.142252 0.033604 0.124166 -0.019393 26O 1f0 0.018867 -0.028945 0.028036 -0.037507 -0.032428 0.004013 26O 1f+1 0.000271 -0.000853 -0.000601 0.007237 0.016681 -0.002588 26O 1f-1 0.001521 -0.000925 -0.005699 -0.011025 0.001043 -0.046574 26O 1f+2 -0.017630 0.029574 -0.025032 0.025652 0.020656 0.000560 26O 1f-2 0.016153 0.025097 -0.008338 0.021947 0.016249 -0.001345 26O 1f+3 -0.004744 0.030945 -0.025545 0.028398 0.033006 -0.021175 26O 1f-3 -0.014532 0.010285 -0.029582 0.001646 0.006782 -0.015295 27O 1s 0.008993 0.006960 -0.012483 -0.003273 -0.005703 0.003455 27O 2s 0.027212 0.023042 -0.037167 -0.009860 -0.016628 0.012001 27O 3s -0.100330 -0.160082 0.160404 0.053117 0.073797 -0.106221 27O 4s -0.293023 0.224909 0.191875 -0.041061 0.076824 0.262734 27O 5s -0.874072 -0.376292 0.892219 0.145227 0.349276 -0.819035 27O 1pz -0.004532 0.024268 0.017820 -0.028514 0.001725 0.014333 27O 1px 0.042233 0.045438 -0.039689 -0.030077 -0.037637 0.027917 27O 1py -0.011859 -0.022091 -0.011303 0.015919 -0.046424 -0.028837 27O 2pz 0.029605 -0.008486 -0.046936 0.044621 -0.009931 -0.042163 27O 2px 0.395242 0.005955 -0.383845 -0.004212 -0.086526 -0.061227 27O 2py -0.144937 -0.092214 0.192899 0.058999 0.225530 0.075387 27O 3pz 0.046416 0.005329 -0.003869 0.014330 0.163785 -0.253403 27O 3px 0.510983 0.086798 -0.338872 0.090964 -0.067137 -0.344617 27O 3py -0.225856 0.019405 -0.081372 -0.067341 0.012323 0.423296 27O 1dz2 -0.008959 -0.007563 0.005845 0.004381 0.016356 -0.000386 27O 1dxz 0.000635 0.017148 -0.013650 -0.018237 -0.017117 0.007264 27O 1dyz 0.008903 0.011840 0.002193 -0.003715 0.001520 -0.009158 27O 1dx2y2 0.014873 0.002636 -0.007457 0.004026 0.012946 -0.011688 27O 1dxy -0.011443 -0.036053 0.038678 0.028792 0.021544 -0.009218 27O 2dz2 0.080130 0.016763 -0.116394 -0.017613 -0.011528 -0.020144 27O 2dxz -0.017082 -0.078962 0.086644 0.048169 0.025470 -0.067856 27O 2dyz -0.012225 0.027496 0.009602 -0.016684 -0.000748 0.048100 27O 2dx2y2 -0.124282 0.031211 0.114530 -0.028971 0.004959 0.099269 27O 2dxy 0.092353 0.162693 -0.167057 -0.152046 -0.224730 0.073060 27O 1f0 -0.010571 0.014690 -0.017750 -0.013546 -0.019571 0.042325 27O 1f+1 -0.014748 -0.014991 0.013173 0.016570 0.025181 -0.008212 27O 1f-1 0.005249 0.003542 -0.015657 0.003820 -0.000208 0.012018 27O 1f+2 -0.022468 -0.033992 0.023342 0.022390 0.004579 0.019508 27O 1f-2 -0.013351 -0.010810 0.012709 0.005008 -0.006223 0.006447 27O 1f+3 -0.008809 -0.017714 0.029576 0.011463 0.020710 -0.025766 27O 1f-3 -0.005161 -0.047881 0.022950 0.037232 0.033118 -0.007072 28O 1s 0.006581 0.002601 0.009344 0.004027 -0.000555 -0.000573 28O 2s 0.020844 0.005948 0.031023 0.009626 -0.006589 -0.002819 28O 3s -0.096567 0.024813 -0.236298 0.036674 0.161178 0.050461 28O 4s -0.092674 -0.331223 0.560689 -0.518288 -0.696710 -0.200370 28O 5s -0.439342 -0.354214 -0.755788 -0.582961 -0.580896 0.611289 28O 1pz 0.022242 -0.002582 0.066340 -0.006475 -0.065772 -0.006684 28O 1px -0.052398 0.001169 -0.018617 0.005242 -0.007421 -0.000345 28O 1py -0.000511 0.015771 0.002686 -0.000526 -0.048751 -0.014104 28O 2pz 0.115093 0.272646 -0.241302 0.414495 0.500305 0.063764 28O 2px -0.126736 -0.125895 -0.056420 -0.276363 -0.208101 -0.042318 28O 2py 0.016344 0.050092 -0.065863 0.135083 0.233074 0.051017 28O 3pz 0.375856 0.073230 -0.079427 0.201345 -0.114539 0.683862 28O 3px -0.276267 -0.144981 -0.137994 -0.192813 -0.295485 -0.159527 28O 3py 0.183771 0.018764 -0.012788 0.024419 -0.034461 0.359127 28O 1dz2 -0.015335 0.024482 -0.014147 0.017928 0.014803 -0.007062 28O 1dxz -0.010391 -0.013650 -0.012257 -0.018587 -0.008167 -0.011757 28O 1dyz -0.008624 0.011290 -0.003281 0.008509 0.011730 -0.011771 28O 1dx2y2 0.018860 -0.008465 0.008808 -0.004546 -0.019616 0.008251 28O 1dxy 0.002752 -0.010919 0.009704 -0.014960 -0.003542 -0.003716 28O 2dz2 0.049630 -0.112391 0.124118 -0.113169 -0.158780 0.069681 28O 2dxz 0.055525 0.110407 -0.038343 0.168677 0.173344 0.077208 28O 2dyz 0.045154 -0.051725 0.028428 -0.056766 -0.120386 0.064778 28O 2dx2y2 -0.102997 0.031779 -0.115710 -0.015396 -0.007130 -0.098499 28O 2dxy -0.009147 0.051653 -0.009550 0.073525 0.138609 -0.003722 28O 1f0 -0.020679 0.002830 -0.005629 0.000293 -0.002350 0.001971 28O 1f+1 -0.018171 0.015788 -0.010239 0.008692 0.003539 -0.000657 28O 1f-1 0.021367 0.009301 0.012055 0.021171 0.004608 0.039714 28O 1f+2 0.008252 -0.001065 0.010373 -0.008570 0.004570 -0.023317 28O 1f-2 -0.006609 0.009924 -0.015603 0.018915 0.013074 0.021342 28O 1f+3 -0.012724 0.003852 -0.009254 0.012555 -0.001562 -0.000244 28O 1f-3 0.001729 -0.004162 0.022133 -0.007471 -0.006824 -0.012698 29O 1s 0.002724 -0.000051 0.003271 -0.002979 0.000021 0.015585 29O 2s 0.009953 0.000718 0.010984 -0.010918 0.000215 0.053008 29O 3s -0.092294 -0.025654 -0.080789 0.102215 -0.004831 -0.414399 29O 4s 0.220043 0.085894 0.188299 -0.279810 0.014640 0.666810 29O 5s -0.279869 0.016137 -0.497325 0.503559 0.012292 -0.628652 29O 1pz 0.312794 0.067086 -0.121842 0.117757 0.165406 -0.087885 29O 1px 0.113592 0.000732 -0.039901 0.062848 0.055426 0.211690 29O 1py -0.034135 0.018910 -0.021478 -0.006059 -0.014790 0.003823 29O 2pz -1.351168 -0.275291 0.515701 -0.511330 -0.703603 0.231459 29O 2px -0.500076 -0.030256 0.136512 -0.207735 -0.248890 -0.488959 29O 2py 0.124979 -0.054009 0.046273 0.036385 0.061293 0.017754 29O 3pz 0.003350 0.017242 -0.090839 0.053400 -0.027994 -0.102361 29O 3px 0.094282 0.012730 0.080357 -0.145214 0.005522 0.253364 29O 3py 0.043210 0.012434 0.094032 -0.093209 -0.002342 -0.006639 29O 1dz2 -0.013951 -0.002255 0.002819 -0.009296 -0.014311 -0.002747 29O 1dxz 0.016723 0.005247 -0.003946 0.007186 0.021168 -0.008073 29O 1dyz -0.006680 -0.002954 0.005007 -0.002986 0.004406 -0.005021 29O 1dx2y2 0.003073 -0.003568 -0.000877 0.011790 0.006298 0.016207 29O 1dxy -0.009477 0.004185 -0.015548 0.001112 -0.001522 0.011358 29O 2dz2 0.317913 0.076309 -0.129508 0.095104 0.149249 -0.072946 29O 2dxz -0.270492 -0.027810 0.097550 -0.107630 -0.115307 -0.067605 29O 2dyz 0.555300 0.098721 -0.194794 0.204333 0.302746 -0.048429 29O 2dx2y2 -0.081265 -0.035086 0.041891 0.000586 -0.034842 0.110917 29O 2dxy 0.224158 0.033140 -0.099521 0.103195 0.121293 0.078902 29O 1f0 0.037552 0.007180 -0.006061 0.006743 0.016075 0.003420 29O 1f+1 0.029565 0.005594 -0.017527 0.011581 0.009903 -0.005386 29O 1f-1 0.063966 0.017889 -0.030949 0.021007 0.033571 -0.011466 29O 1f+2 -0.019725 0.000811 0.001943 -0.004125 -0.001186 -0.021562 29O 1f-2 -0.098741 -0.019071 0.048908 -0.041015 -0.050345 -0.007461 29O 1f+3 0.025216 0.007587 -0.010262 0.003180 0.012933 -0.036552 29O 1f-3 0.054698 -0.001872 0.000960 0.021705 0.025488 -0.000933 30O 1s 0.001947 -0.002365 -0.007744 -0.000063 -0.002446 -0.004088 30O 2s 0.003065 -0.005581 -0.026144 -0.003232 -0.010976 -0.012828 30O 3s 0.053245 -0.016466 0.208211 0.089797 0.164798 0.077572 30O 4s -0.379513 0.261471 -0.470901 -0.399592 -0.622870 -0.068664 30O 5s 0.073382 0.378152 0.429858 -0.174791 0.091033 0.921466 30O 1pz 0.013760 -0.007082 -0.030034 0.007880 -0.001659 -0.027480 30O 1px -0.027532 -0.019069 0.013141 0.014650 0.001517 0.007775 30O 1py -0.033873 -0.015415 0.045702 0.006468 0.054027 0.017013 30O 2pz 0.038401 -0.139614 0.131244 0.109540 0.181705 0.013506 30O 2px -0.110702 0.101893 0.039035 -0.104812 -0.128380 0.070569 30O 2py 0.048729 0.296654 -0.237722 -0.225668 -0.410366 0.030773 30O 3pz 0.205412 -0.008215 -0.025585 -0.018059 -0.035582 0.287849 30O 3px -0.087207 0.135569 0.110787 -0.016767 -0.095972 0.081466 30O 3py -0.330739 0.030449 0.180576 0.051689 -0.163508 -0.520964 30O 1dz2 -0.009366 -0.005899 0.009470 0.001038 0.002807 0.000026 30O 1dxz -0.004087 0.004853 0.013921 0.004027 -0.012286 -0.005796 30O 1dyz -0.009304 0.017117 -0.004548 -0.016327 0.000079 0.015242 30O 1dx2y2 0.003400 0.029036 -0.016155 -0.027530 -0.021759 0.012675 30O 1dxy -0.003905 -0.014844 0.006401 0.008398 0.006553 0.005350 30O 2dz2 -0.001985 0.004158 -0.050754 -0.022941 0.022115 0.008718 30O 2dxz 0.069028 -0.001099 0.001531 0.018041 -0.003525 0.040207 30O 2dyz -0.031854 -0.126109 0.101300 0.113890 0.143653 -0.059930 30O 2dx2y2 -0.086255 -0.127274 0.153772 0.106014 0.108370 -0.099416 30O 2dxy -0.046706 0.111479 -0.023757 -0.097150 -0.171839 -0.017637 30O 1f0 -0.002765 0.015521 -0.004147 -0.011352 -0.023552 -0.013459 30O 1f+1 0.001326 0.005708 -0.005116 -0.009829 -0.012818 -0.011920 30O 1f-1 -0.011645 -0.009758 0.017268 0.014194 0.011675 -0.004545 30O 1f+2 -0.016531 -0.007353 0.008506 0.000951 0.009306 -0.028706 30O 1f-2 0.018521 0.023182 -0.023474 -0.011725 -0.019427 -0.031556 30O 1f+3 -0.005606 -0.017566 0.009631 0.016901 0.012996 0.003007 30O 1f-3 -0.004384 0.007880 0.001387 -0.008647 -0.009854 0.000608 31O 1s -0.002207 0.002133 -0.007825 -0.000929 -0.002652 0.003926 31O 2s -0.003815 0.004749 -0.026750 -0.000114 -0.011618 0.012306 31O 3s -0.048585 0.024219 0.219871 -0.063241 0.168517 -0.073415 31O 4s 0.371824 -0.281932 -0.517685 0.339808 -0.626046 0.058429 31O 5s -0.040071 -0.375222 0.413678 0.230067 0.113117 -0.910436 31O 1pz 0.014075 -0.006189 0.030280 0.011080 0.003135 -0.027571 31O 1px -0.025030 -0.019978 -0.015861 0.013369 -0.002173 0.007692 31O 1py -0.036001 -0.016314 -0.046921 0.000812 -0.054472 0.016362 31O 2pz 0.038580 -0.146206 -0.145360 0.094368 -0.182571 0.012600 31O 2px -0.113518 0.103978 -0.023846 -0.111632 0.126896 0.070483 31O 2py 0.049359 0.305147 0.261539 -0.194758 0.407153 0.034611 31O 3pz 0.209996 -0.009517 0.032818 -0.016658 0.032266 0.288165 31O 3px -0.091623 0.135989 -0.114750 -0.031736 0.093168 0.081602 31O 3py -0.325097 0.028136 -0.194584 0.029949 0.171720 -0.513423 31O 1dz2 0.009022 0.006227 0.009529 0.000162 0.002718 -0.000029 31O 1dxz 0.003690 -0.004558 0.014417 -0.002131 -0.012293 0.005549 31O 1dyz 0.011479 -0.017448 -0.006148 0.015662 0.000635 -0.014880 31O 1dx2y2 -0.001705 -0.029699 -0.018592 0.025154 -0.021137 -0.012845 31O 1dxy 0.003274 0.015057 0.007034 -0.007528 0.006322 -0.005482 31O 2dz2 0.003032 -0.005939 -0.053057 0.016055 0.022019 -0.008185 31O 2dxz -0.068988 0.002437 0.004616 -0.018415 -0.002871 -0.041535 31O 2dyz 0.030048 0.130197 0.112281 -0.099994 0.141125 0.060597 31O 2dx2y2 0.081171 0.131692 0.163451 -0.084677 0.105124 0.100196 31O 2dxy 0.047909 -0.113326 -0.033252 0.093472 -0.170600 0.015859 31O 1f0 -0.002789 0.015553 0.004645 -0.010603 0.023279 -0.013010 31O 1f+1 0.001673 0.005903 0.006304 -0.009133 0.013036 -0.011660 31O 1f-1 -0.010917 -0.010068 -0.018566 0.011677 -0.011336 -0.004488 31O 1f+2 -0.016015 -0.007191 -0.008041 -0.000434 -0.008441 -0.028741 31O 1f-2 0.017747 0.024084 0.024456 -0.008680 0.019848 -0.031068 31O 1f+3 -0.004644 -0.017673 -0.010972 0.015262 -0.012533 0.003055 31O 1f-3 -0.005693 0.007794 -0.000701 -0.008708 0.009686 0.000710 32O 1s -0.002542 0.000138 0.002695 0.003418 0.000333 -0.015586 32O 2s -0.009342 -0.000420 0.008902 0.012388 0.001269 -0.053023 32O 3s 0.087826 0.023306 -0.061953 -0.112969 -0.012874 0.414728 32O 4s -0.210614 -0.080572 0.140697 0.304403 0.027935 -0.667456 32O 5s 0.256600 -0.026750 -0.416741 -0.568798 -0.004291 0.626821 32O 1pz 0.289030 0.073763 0.109968 0.134711 -0.166611 -0.090391 32O 1px 0.102970 0.002708 0.033409 0.067623 -0.059588 0.210822 32O 1py -0.024144 0.020596 0.024425 -0.000298 0.011382 0.003845 32O 2pz -1.246985 -0.304433 -0.465496 -0.583407 0.711081 0.243113 32O 2px -0.452410 -0.038294 -0.115881 -0.224029 0.259179 -0.484591 32O 2py 0.080946 -0.060197 -0.060300 0.016648 -0.046232 0.017423 32O 3pz 0.000911 0.019976 0.081554 0.066001 0.029450 -0.100934 32O 3px 0.088038 0.010538 -0.058808 -0.155113 -0.011264 0.253238 32O 3py 0.040076 0.011269 -0.077987 -0.105166 0.002776 -0.007338 32O 1dz2 0.012640 0.002340 0.001701 0.009520 -0.014595 0.002300 32O 1dxz -0.015779 -0.005445 -0.003334 -0.007734 0.021145 0.008593 32O 1dyz 0.006481 0.003258 0.004574 0.003552 0.004246 0.004838 32O 1dx2y2 -0.002853 0.003429 0.000415 -0.011869 0.006443 -0.016068 32O 1dxy 0.008700 -0.004490 -0.015257 -0.003227 -0.001171 -0.011378 32O 2dz2 -0.270532 -0.078679 -0.113187 -0.102753 0.136481 0.074052 32O 2dxz 0.257960 0.036497 0.090961 0.126455 -0.125353 0.065396 32O 2dyz -0.518415 -0.112920 -0.179260 -0.235070 0.310456 0.055020 32O 2dx2y2 0.088743 0.039819 0.046784 0.011586 -0.041357 -0.111904 32O 2dxy -0.194453 -0.036772 -0.085764 -0.112212 0.119435 -0.076695 32O 1f0 0.031710 0.006756 0.004307 0.006470 -0.014792 0.003578 32O 1f+1 0.029227 0.006974 0.017530 0.015392 -0.011307 -0.005545 32O 1f-1 0.059465 0.019734 0.029111 0.025071 -0.034080 -0.012676 32O 1f+2 -0.017893 -0.000008 -0.002263 -0.004241 0.001790 -0.020845 32O 1f-2 -0.091136 -0.021700 -0.044629 -0.047496 0.051394 -0.005826 32O 1f+3 0.019385 0.007568 0.008591 0.002842 -0.010550 -0.037155 32O 1f-3 0.051257 -0.001032 -0.002923 0.022021 -0.026497 -0.001683 33O 1s -0.006641 -0.002287 0.009695 -0.002756 -0.000533 0.000589 33O 2s -0.021162 -0.004966 0.031700 -0.005428 -0.006574 0.002708 33O 3s 0.101498 -0.030729 -0.228204 -0.068214 0.162728 -0.045866 33O 4s 0.075914 0.340392 0.492272 0.591419 -0.706112 0.179208 33O 5s 0.425258 0.326667 -0.818697 0.485726 -0.576266 -0.623160 33O 1pz 0.024307 -0.003992 -0.063709 -0.014826 0.065623 -0.005218 33O 1px -0.051528 0.001705 0.017146 0.008084 0.006907 0.000318 33O 1py 0.002275 0.014979 -0.003547 -0.001608 0.049811 -0.012410 33O 2pz 0.108326 0.271020 0.182180 0.441735 -0.502898 0.050487 33O 2px -0.121289 -0.122595 0.085707 -0.270687 0.213813 -0.036070 33O 2py 0.009826 0.052629 0.049185 0.146012 -0.238631 0.043754 33O 3pz 0.384436 0.073879 0.064538 0.214372 0.099221 0.685489 33O 3px -0.266747 -0.138644 0.154842 -0.176019 0.300702 -0.151614 33O 3py 0.178871 0.019220 0.016479 0.026001 0.027775 0.361572 33O 1dz2 0.014600 -0.024101 -0.010449 -0.019152 0.014524 0.007531 33O 1dxz 0.010593 0.012957 -0.014477 0.016739 -0.008484 0.011504 33O 1dyz 0.008792 -0.011281 -0.001760 -0.008873 0.011695 0.012165 33O 1dx2y2 -0.019001 0.008500 0.007442 0.005469 -0.019416 -0.008669 33O 1dxy -0.001944 0.010875 0.007284 0.016099 -0.003740 0.003552 33O 2dz2 -0.048343 0.111366 0.102563 0.125905 -0.156245 -0.073801 33O 2dxz -0.054439 -0.107888 -0.015440 -0.172125 0.175593 -0.071459 33O 2dyz -0.046791 0.052041 0.018318 0.060634 -0.120429 -0.068049 33O 2dx2y2 0.097500 -0.033443 -0.111219 0.002000 -0.010364 0.097846 33O 2dxy 0.013819 -0.052122 0.000187 -0.075711 0.140840 0.007518 33O 1f0 -0.019252 0.002399 0.005013 0.000526 0.002738 0.002089 33O 1f+1 -0.016990 0.015112 0.007781 0.009070 -0.002994 -0.000735 33O 1f-1 0.021419 0.008571 -0.014007 0.019506 -0.005547 0.039548 33O 1f+2 0.007401 -0.001467 -0.008928 -0.010240 -0.003733 -0.023418 33O 1f-2 -0.006212 0.010083 0.012503 0.020704 -0.013508 0.021069 33O 1f+3 -0.010150 0.003486 0.006747 0.013224 0.001921 -0.000345 33O 1f-3 0.001607 -0.004518 -0.020710 -0.010120 0.006864 -0.012625 34O 1s -0.008691 -0.007402 -0.012787 0.001698 -0.005642 -0.003587 34O 2s -0.026134 -0.024427 -0.038057 0.005228 -0.016406 -0.012377 34O 3s 0.090503 0.167956 0.164191 -0.034615 0.071443 0.107809 34O 4s 0.317612 -0.227856 0.194441 0.072275 0.084028 -0.261814 34O 5s 0.865137 0.401240 0.914883 -0.031331 0.332579 0.827259 34O 1pz -0.008439 0.024090 -0.015254 -0.030587 -0.002008 0.014400 34O 1px 0.040945 0.047322 0.042326 -0.024637 0.037188 0.029020 34O 1py -0.006910 -0.022713 0.009128 0.017463 0.046380 -0.028465 34O 2pz 0.035481 -0.007611 0.042632 0.050248 0.009730 -0.043189 34O 2px 0.400947 0.012854 0.389342 0.046690 0.089181 -0.060340 34O 2py -0.152116 -0.094910 -0.196837 0.032232 -0.223691 0.074252 34O 3pz 0.034600 0.007545 0.001514 0.016146 -0.159155 -0.259113 34O 3px 0.513621 0.096136 0.331160 0.138401 0.074245 -0.342554 34O 3py -0.225636 0.019140 0.085462 -0.058034 -0.022640 0.421868 34O 1dz2 0.008706 0.007772 0.006190 -0.003631 0.016362 0.000865 34O 1dxz 0.000157 -0.017767 -0.015493 0.016332 -0.016814 -0.007516 34O 1dyz -0.008459 -0.011804 0.001859 0.004011 0.001344 0.009269 34O 1dx2y2 -0.014492 -0.002854 -0.007186 -0.004970 0.012519 0.011946 34O 1dxy 0.009475 0.037362 0.041192 -0.023499 0.021000 0.009404 34O 2dz2 -0.080872 -0.019655 -0.118950 0.001786 -0.012126 0.020073 34O 2dxz 0.013255 0.082216 0.091063 -0.036801 0.022948 0.067157 34O 2dyz 0.012982 -0.027358 0.008064 0.017953 0.000526 -0.048061 34O 2dx2y2 0.127398 -0.029469 0.112777 0.044403 0.008017 -0.098241 34O 2dxy -0.090647 -0.167430 -0.181420 0.128304 -0.221041 -0.075891 34O 1f0 -0.011117 0.015734 0.019372 -0.011391 0.018865 0.042814 34O 1f+1 -0.014819 -0.015235 -0.015006 0.014616 -0.024895 -0.008564 34O 1f-1 0.004911 0.003816 0.014903 0.005969 -0.000256 0.011977 34O 1f+2 -0.020441 -0.034997 -0.025761 0.019315 -0.004789 0.019799 34O 1f-2 -0.011757 -0.011383 -0.013263 0.003459 0.005850 0.006472 34O 1f+3 -0.009004 -0.019048 -0.030837 0.007882 -0.020317 -0.026178 34O 1f-3 -0.002427 -0.048920 -0.026300 0.033939 -0.032402 -0.007275 35O 1s -0.004401 0.006928 0.012603 0.006346 -0.003473 -0.005932 35O 2s -0.009528 0.023746 0.037146 0.022433 -0.010225 -0.018798 35O 3s -0.054903 -0.188132 -0.151378 -0.189989 0.026706 0.112040 35O 4s 0.571554 0.369490 -0.165059 0.413559 0.228463 -0.089445 35O 5s 0.416564 -0.501425 -1.247615 -0.412286 -0.340231 1.117020 35O 1pz 0.029507 -0.013865 0.024084 -0.009690 -0.011876 0.031226 35O 1px 0.026598 -0.023013 -0.026550 -0.015008 0.036391 0.034077 35O 1py 0.057943 -0.026440 -0.014371 -0.016487 -0.000237 0.038581 35O 2pz -0.003782 -0.055963 -0.141485 -0.094703 0.122751 -0.085498 35O 2px 0.323719 0.022382 -0.445013 0.006331 0.096413 0.096551 35O 2py 0.014684 0.005727 -0.186325 -0.027038 0.125967 -0.034691 35O 3pz 0.118992 0.070498 0.131594 0.140362 0.094341 -0.358625 35O 3px 0.234488 -0.049745 -0.317143 0.124735 -0.043558 -0.054124 35O 3py 0.239894 0.074231 0.056972 0.079780 0.204942 -0.229658 35O 1dz2 -0.000165 -0.004343 -0.002550 -0.010036 0.011887 -0.006470 35O 1dxz -0.021222 0.029445 0.020348 0.028220 -0.024227 -0.007391 35O 1dyz -0.014821 0.002619 0.001764 -0.001765 -0.009852 -0.012787 35O 1dx2y2 -0.002804 -0.006714 0.003890 -0.007540 0.006094 0.003646 35O 1dxy -0.017573 0.014058 0.021717 0.009790 -0.005192 -0.004297 35O 2dz2 -0.082595 -0.022778 0.112306 -0.034232 -0.009993 0.025236 35O 2dxz 0.089939 -0.120749 -0.146245 -0.134494 0.120508 0.051624 35O 2dyz 0.005346 -0.086534 -0.073560 -0.090849 0.039707 0.056338 35O 2dx2y2 0.093153 0.048657 -0.125395 0.056967 -0.039487 -0.030999 35O 2dxy 0.083090 -0.029008 -0.134362 -0.052177 0.123970 0.021979 35O 1f0 0.017216 -0.028608 -0.021330 -0.040289 0.032119 0.004695 35O 1f+1 -0.000670 -0.000254 -0.000191 0.007877 -0.017248 -0.003072 35O 1f-1 0.001821 -0.000620 0.007238 -0.009885 -0.000476 -0.046524 35O 1f+2 -0.017410 0.030026 0.020588 0.028846 -0.021102 0.000028 35O 1f-2 0.016097 0.024542 0.005250 0.022631 -0.016256 -0.001902 35O 1f+3 -0.005193 0.031206 0.020908 0.031614 -0.033071 -0.021922 35O 1f-3 -0.014319 0.010580 0.028052 0.004884 -0.006057 -0.015402 582 583 584 585 586 587 4.08723 4.12188 4.14111 4.14866 4.16550 4.19707 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s 0.000940 -0.000682 0.005810 0.001316 -0.015443 -0.010813 0Rh 2s -0.008851 0.006263 -0.053005 -0.011792 0.140538 0.096658 0Rh 3s 0.000300 -0.000314 0.002892 0.000784 -0.007932 -0.006621 0Rh 4s 0.049498 -0.034982 0.297125 0.066208 -0.789052 -0.543514 0Rh 5s -0.116447 0.080545 -0.692204 -0.154464 1.843457 1.265533 0Rh 6s 0.122179 -0.075222 0.679875 0.152585 -1.826397 -1.224343 0Rh 7s -0.256342 0.108542 -0.854878 -0.177261 2.140851 1.573433 0Rh 8s 0.076774 0.060571 -0.220858 -0.022548 0.079150 0.550269 0Rh 1pz -0.000171 -0.000733 0.002856 0.003565 -0.001364 -0.002233 0Rh 1px -0.001032 0.001884 0.001883 0.002013 -0.005175 0.008386 0Rh 1py 0.002783 -0.001625 0.001806 -0.001333 -0.000732 0.004728 0Rh 2pz 0.000691 0.003031 -0.010679 -0.013833 0.005654 0.008738 0Rh 2px 0.004057 -0.007463 -0.007365 -0.007900 0.020082 -0.033015 0Rh 2py -0.011473 0.005924 -0.006893 0.004884 0.002819 -0.018725 0Rh 3pz -0.002138 -0.010463 0.012462 0.028489 -0.019334 -0.019781 0Rh 3px -0.009497 0.018641 0.016083 0.018152 -0.041782 0.078887 0Rh 3py 0.038513 -0.003273 0.011403 -0.003217 -0.005397 0.046812 0Rh 4pz 0.004376 0.019955 0.050221 0.002134 0.032779 0.008002 0Rh 4px 0.004186 -0.012903 -0.000883 -0.006709 0.000401 -0.048812 0Rh 4py -0.066549 -0.045727 0.015837 -0.035616 -0.002266 -0.034591 0Rh 5pz -0.013771 -0.036424 -0.165754 -0.059987 -0.044390 0.013383 0Rh 5px 0.011729 -0.006034 -0.034054 -0.019304 0.085037 -0.002676 0Rh 5py 0.097384 0.132216 -0.070080 0.105003 0.020033 0.000206 0Rh 6pz 0.114070 0.307057 0.617473 0.174371 0.047081 0.237261 0Rh 6px -0.086548 -0.003288 0.223861 0.030274 -0.006006 -1.052349 0Rh 6py -0.192677 -0.554975 0.371747 -0.305435 -0.131093 -0.235818 0Rh 1dz2 -0.050792 0.032516 -0.023903 -0.076660 -0.010160 0.060263 0Rh 1dxz 0.009469 -0.002650 0.061036 0.034689 -0.017792 0.008171 0Rh 1dyz -0.106305 0.122458 0.027470 -0.117440 0.022876 0.110935 0Rh 1dx2y2 -0.010506 0.042366 0.010042 0.007737 0.036991 -0.016687 0Rh 1dxy -0.071767 -0.008137 0.041411 -0.087554 0.020009 0.036059 0Rh 2dz2 -0.005959 0.007485 -0.001856 -0.013574 -0.003565 0.010625 0Rh 2dxz 0.000889 -0.001073 0.006795 0.003911 -0.004058 0.000905 0Rh 2dyz -0.012347 0.023770 0.004646 -0.025089 0.003638 0.019414 0Rh 2dx2y2 -0.000412 0.006663 0.001405 -0.000774 0.009346 -0.002174 0Rh 2dxy -0.011661 0.003023 0.005031 -0.014516 0.004319 0.005353 0Rh 3dz2 0.222629 -0.160923 0.100404 0.360985 0.056336 -0.285548 0Rh 3dxz -0.040431 0.015468 -0.268001 -0.152683 0.088906 -0.035600 0Rh 3dyz 0.465572 -0.584008 -0.128613 0.574476 -0.105915 -0.525958 0Rh 3dx2y2 0.042432 -0.194386 -0.044743 -0.025599 -0.188655 0.074222 0Rh 3dxy 0.329494 0.016272 -0.183588 0.407539 -0.098594 -0.166979 0Rh 4dz2 -0.323268 0.268863 -0.129736 -0.572717 -0.105172 0.462049 0Rh 4dxz 0.056449 -0.031500 0.384964 0.221274 -0.155147 0.049705 0Rh 4dyz -0.676999 0.932424 0.205995 -0.957617 0.165520 0.855369 0Rh 4dx2y2 -0.056038 0.295592 0.060819 0.017532 0.331072 -0.106779 0Rh 4dxy -0.501670 0.020561 0.266128 -0.636030 0.167662 0.267264 0Rh 5dz2 0.371644 -0.363003 0.005608 0.653461 0.209105 -0.609186 0Rh 5dxz -0.053141 0.082327 -0.268288 -0.175145 0.288806 -0.047245 0Rh 5dyz 0.813964 -1.080719 -0.247249 1.276456 -0.195333 -1.130879 0Rh 5dx2y2 0.063784 -0.288189 -0.003886 0.071663 -0.581387 0.107102 0Rh 5dxy 0.602502 -0.227394 -0.181888 0.664819 -0.274428 -0.333327 0Rh 1f0 0.000742 -0.015003 0.010649 0.003483 -0.001067 -0.004311 0Rh 1f+1 -0.004160 0.009816 0.010927 -0.001503 -0.005507 0.010283 0Rh 1f-1 0.009739 -0.016010 0.025488 0.002790 -0.001635 0.004755 0Rh 1f+2 0.002080 -0.020654 -0.024747 -0.006947 -0.000786 0.008081 0Rh 1f-2 -0.000511 0.006558 0.001356 -0.028250 -0.001066 -0.003697 0Rh 1f+3 -0.006426 0.009712 -0.000082 0.010299 -0.004010 0.013225 0Rh 1f-3 0.025373 -0.028107 0.005145 -0.000319 -0.000852 0.016438 1Rh 1s 0.000785 0.000777 -0.005581 -0.001111 -0.015861 0.015678 1Rh 2s -0.007404 -0.007083 0.051019 0.009970 0.144323 -0.143394 1Rh 3s 0.000243 0.000386 -0.002712 -0.000654 -0.008158 0.007662 1Rh 4s 0.041419 0.039578 -0.285981 -0.055987 -0.810304 0.806082 1Rh 5s -0.097728 -0.091091 0.666614 0.130756 1.893019 -1.889144 1Rh 6s 0.104005 0.084963 -0.656281 -0.129711 -1.875024 1.881368 1Rh 7s -0.233633 -0.114608 0.838119 0.151665 2.203177 -2.570296 1Rh 8s 0.079786 -0.065073 0.214120 0.022294 0.096427 -0.484677 1Rh 1pz 0.000166 -0.000715 0.002925 0.003569 0.001469 -0.002993 1Rh 1px 0.001020 0.001831 0.001737 0.001952 0.005090 0.009609 1Rh 1py -0.002708 -0.001712 0.001776 -0.001353 0.000664 0.000334 1Rh 2pz -0.000672 0.002961 -0.010943 -0.013844 -0.006053 0.011862 1Rh 2px -0.003991 -0.007265 -0.006807 -0.007669 -0.019755 -0.037621 1Rh 2py 0.011189 0.006265 -0.006783 0.004970 -0.002555 -0.001140 1Rh 3pz 0.002100 -0.010323 0.012951 0.028467 0.019978 -0.030192 1Rh 3px 0.008950 0.018329 0.015143 0.017786 0.041123 0.085212 1Rh 3py -0.038081 -0.004110 0.011305 -0.003568 0.004847 -0.000829 1Rh 4pz -0.004272 0.019949 0.050511 0.002277 -0.031824 0.027107 1Rh 4px -0.002393 -0.013366 -0.001854 -0.007189 -0.000333 -0.033185 1Rh 4py 0.067225 -0.045187 0.015231 -0.034794 0.002266 0.012832 1Rh 5pz 0.013162 -0.036630 -0.167616 -0.060038 0.040606 -0.026002 1Rh 5px -0.014384 -0.004185 -0.029893 -0.017530 -0.084828 -0.051346 1Rh 5py -0.099640 0.132654 -0.068309 0.103355 -0.019117 -0.019706 1Rh 6pz -0.112491 0.309543 0.625789 0.171623 -0.039232 0.468384 1Rh 6px 0.077244 -0.006071 0.220104 0.030799 0.031867 -0.921999 1Rh 6py 0.200647 -0.557398 0.368505 -0.299787 0.133829 -0.264306 1Rh 1dz2 -0.051796 -0.032711 0.024803 0.075888 -0.009051 0.053596 1Rh 1dxz 0.008361 0.002905 -0.061746 -0.034480 -0.018733 -0.023860 1Rh 1dyz -0.107913 -0.123439 -0.025285 0.116394 0.022937 0.113897 1Rh 1dx2y2 -0.009030 -0.042369 -0.009604 -0.007586 0.036086 0.009985 1Rh 1dxy -0.073161 0.008090 -0.040149 0.086308 0.020480 0.033949 1Rh 2dz2 -0.006173 -0.007513 0.002009 0.013493 -0.003418 0.009906 1Rh 2dxz 0.000707 0.001112 -0.006867 -0.003874 -0.004142 -0.002792 1Rh 2dyz -0.012681 -0.023896 -0.004340 0.024978 0.003687 0.019881 1Rh 2dx2y2 -0.000202 -0.006674 -0.001377 0.000775 0.009232 0.001371 1Rh 2dxy -0.011858 -0.003059 -0.004837 0.014307 0.004377 0.005395 1Rh 3dz2 0.227489 0.161809 -0.104623 -0.357623 0.051362 -0.256794 1Rh 3dxz -0.035326 -0.016642 0.271066 0.151688 0.092974 0.105951 1Rh 3dyz 0.473317 0.588386 0.118700 -0.569900 -0.106387 -0.540148 1Rh 3dx2y2 0.035785 0.194463 0.042947 0.025034 -0.184648 -0.044715 1Rh 3dxy 0.335739 -0.015921 0.177803 -0.401728 -0.100703 -0.158290 1Rh 4dz2 -0.331264 -0.270183 0.136570 0.567887 -0.097865 0.421796 1Rh 4dxz 0.048509 0.033365 -0.389184 -0.219572 -0.160907 -0.156922 1Rh 4dyz -0.689535 -0.938960 -0.190747 0.950888 0.166613 0.879879 1Rh 4dx2y2 -0.045859 -0.295919 -0.058659 -0.017079 0.325370 0.066601 1Rh 4dxy -0.510636 -0.021359 -0.257310 0.626856 0.170833 0.254423 1Rh 5dz2 0.383676 0.364330 -0.016464 -0.649050 0.203401 -0.559094 1Rh 5dxz -0.042134 -0.085085 0.269963 0.171692 0.291547 0.156141 1Rh 5dyz 0.829610 1.088115 0.227458 -1.267952 -0.197943 -1.169383 1Rh 5dx2y2 0.049185 0.290204 0.005230 -0.068954 -0.577109 -0.092769 1Rh 5dxy 0.607466 0.229683 0.172331 -0.652694 -0.276927 -0.345314 1Rh 1f0 -0.001095 -0.015040 0.010581 0.003656 0.001344 -0.013356 1Rh 1f+1 0.004649 0.009889 0.010705 -0.001424 0.005420 0.005464 1Rh 1f-1 -0.009709 -0.016050 0.025549 0.002699 0.001979 -0.001858 1Rh 1f+2 -0.001800 -0.020691 -0.024765 -0.006959 -0.000272 0.009105 1Rh 1f-2 0.001185 0.006473 0.001340 -0.028290 0.000605 0.009959 1Rh 1f+3 0.006706 0.009695 -0.000132 0.010404 0.003872 0.012788 1Rh 1f-3 -0.024932 -0.028081 0.005372 -0.000815 0.000365 0.003677 2C 1s 0.003668 -0.002755 0.016628 -0.000359 -0.009705 0.009238 2C 2s 0.011289 -0.007452 0.045875 -0.002092 -0.029428 0.026591 2C 3s -0.225070 0.057612 -0.312124 0.040831 0.397660 -0.215218 2C 4s 1.062607 0.000520 -0.166036 -0.137273 -0.955081 -0.049641 2C 5s 0.130306 -0.679074 1.150747 0.225705 -0.487023 0.268777 2C 1pz -0.067661 0.054833 -0.228714 0.019036 0.178387 -0.148154 2C 1px -0.009262 0.022580 -0.050237 -0.004267 0.046733 -0.044180 2C 1py -0.052212 0.024500 -0.164110 -0.004135 0.122055 -0.103103 2C 2pz 0.818620 -0.183058 0.691955 -0.155044 -1.172706 0.752089 2C 2px -0.150972 -0.375974 0.295464 0.217222 -0.312214 0.033938 2C 2py 0.361002 0.039909 0.229529 0.148802 -0.631847 0.215658 2C 3pz 0.043766 -0.155953 0.179202 0.016613 -0.112228 -0.042187 2C 3px 0.198558 0.007253 0.120254 -0.080535 -0.002983 -0.042861 2C 3py 0.052198 -0.056253 0.213469 0.032620 -0.131617 0.023146 2C 1dz2 0.011972 0.020381 -0.034724 0.021672 -0.005101 -0.011415 2C 1dxz -0.056903 0.071306 -0.186184 0.013893 0.063792 -0.035943 2C 1dyz -0.030943 -0.026566 -0.065906 0.035754 -0.000589 -0.015787 2C 1dx2y2 -0.062629 -0.017341 -0.009865 0.039383 0.029473 -0.063147 2C 1dxy -0.015660 -0.003742 -0.044300 -0.002753 0.011776 0.016444 2C 2dz2 0.110367 -0.101560 0.187764 -0.091145 -0.302749 0.189476 2C 2dxz 0.182597 -0.039499 0.132510 -0.033208 -0.155286 0.120205 2C 2dyz 0.189137 -0.098869 0.526173 0.054818 -0.581702 0.374603 2C 2dx2y2 -0.175381 -0.078998 -0.104077 0.018768 0.131788 -0.164088 2C 2dxy 0.172129 -0.109040 0.318584 -0.025792 -0.248213 0.261323 2C 1f0 -0.070295 -0.002916 -0.113074 -0.037040 0.058480 -0.110764 2C 1f+1 -0.180268 -0.018386 -0.185556 0.036923 0.081746 -0.100651 2C 1f-1 0.183583 -0.046204 0.345312 -0.055141 -0.261479 0.267908 2C 1f+2 0.033694 -0.018541 0.007320 -0.008764 0.010168 0.034377 2C 1f-2 -0.121492 0.025797 -0.228679 0.014718 0.097585 -0.131022 2C 1f+3 -0.052677 -0.051119 0.121628 0.037940 -0.103049 0.095591 2C 1f-3 -0.103688 0.006610 -0.025653 0.029080 0.015470 -0.039245 3C 1s -0.004772 0.012986 0.002455 0.010620 -0.012198 -0.007217 3C 2s -0.014455 0.035881 0.007197 0.030147 -0.036699 -0.019983 3C 3s 0.237488 -0.276058 -0.072591 -0.201359 0.434370 0.088742 3C 4s -0.980909 0.063731 0.082138 -0.201876 -0.781434 0.447177 3C 5s -0.270294 0.964770 0.418226 0.720096 -0.300630 0.293808 3C 1pz 0.061392 -0.118008 -0.012962 -0.095690 0.123100 0.050387 3C 1px 0.035072 -0.087881 -0.018701 -0.052448 0.092706 0.039393 3C 1py -0.082248 0.187547 0.057531 0.148338 -0.218158 -0.091617 3C 2pz -0.419421 0.051013 -0.183143 0.045989 -0.459161 0.131157 3C 2px 0.249489 0.402484 0.069230 -0.137438 -0.435672 -0.349574 3C 2py 0.855910 -0.700509 -0.312200 -0.477648 1.337522 0.335711 3C 3pz 0.027849 0.169782 0.015103 0.078864 -0.121828 0.036101 3C 3px -0.265460 0.056331 0.058492 0.167890 -0.024551 0.056830 3C 3py 0.092607 -0.155037 -0.101608 -0.121334 0.015344 -0.189459 3C 1dz2 -0.022048 0.036543 0.020313 0.033988 -0.028243 -0.022316 3C 1dxz -0.084339 -0.032217 0.000432 0.022962 -0.021921 0.029144 3C 1dyz 0.006926 -0.033307 -0.042628 -0.004526 0.047568 0.076666 3C 1dx2y2 -0.025478 0.091591 0.040104 0.067730 -0.029218 -0.008737 3C 1dxy -0.106113 0.114186 0.051923 0.119089 -0.069001 -0.056758 3C 2dz2 0.139264 -0.182349 -0.172334 -0.138672 0.244118 0.116980 3C 2dxz -0.335324 0.179692 0.003319 0.194306 -0.256944 0.017675 3C 2dyz 0.159570 -0.456589 -0.079263 -0.298383 0.658147 0.348382 3C 2dx2y2 0.095885 -0.051794 -0.051006 -0.066108 0.226809 -0.018338 3C 2dxy 0.187239 -0.266719 -0.063110 -0.136561 0.361455 0.123425 3C 1f0 0.072814 -0.196741 -0.051587 -0.154706 0.242463 0.120333 3C 1f+1 0.134403 -0.067733 -0.036506 -0.058927 0.072044 -0.006004 3C 1f-1 0.217246 -0.289466 -0.025709 -0.248637 0.266046 0.161632 3C 1f+2 0.178252 -0.059727 -0.016586 -0.120171 0.099761 -0.010420 3C 1f-2 -0.133726 0.050226 0.018668 0.083803 -0.031637 -0.008584 3C 1f+3 0.032180 0.026522 0.020632 0.014267 -0.076963 -0.024333 3C 1f-3 -0.075621 0.020777 -0.026470 -0.012399 0.019365 0.053076 4C 1s -0.008627 -0.001613 0.008055 0.000628 -0.004686 0.013560 4C 2s -0.018665 -0.004161 0.023567 -0.000125 -0.008401 0.030134 4C 3s -0.053072 0.157828 -0.825920 0.127512 0.033071 -0.517839 4C 4s 0.792929 -0.504799 2.438710 -0.584036 0.779981 0.972598 4C 5s -0.055723 0.058012 0.454353 -0.180925 0.036858 0.397748 4C 1pz -0.045193 0.007189 0.074961 -0.036941 -0.038649 0.023387 4C 1px -0.012261 -0.087422 0.015707 0.086673 -0.004254 -0.035419 4C 1py -0.028770 -0.016798 0.051357 0.019044 -0.022079 0.001043 4C 2pz 1.243252 -0.485415 1.140737 0.197461 -1.146294 1.113282 4C 2px 0.094379 0.636483 0.754768 -1.071581 -0.290445 -0.208981 4C 2py 0.742730 -0.142654 0.894999 -0.371911 -0.766250 0.548140 4C 3pz 0.345322 -0.348247 0.611566 0.126970 0.105882 -0.418029 4C 3px 0.048427 0.158969 0.232783 -0.202681 -0.010356 -0.210912 4C 3py 0.246871 -0.310286 0.397303 -0.130875 0.096932 -0.334034 4C 1dz2 -0.003433 0.047408 -0.202169 0.048156 0.111559 -0.100704 4C 1dxz -0.143709 0.093762 -0.222059 -0.023951 0.126408 -0.180609 4C 1dyz 0.087571 0.029804 -0.152966 -0.021464 0.120861 -0.172800 4C 1dx2y2 0.112272 -0.030027 0.215789 -0.011577 -0.094843 0.068994 4C 1dxy 0.045445 0.026825 0.024722 -0.050518 0.022481 -0.089021 4C 2dz2 -0.276395 -0.101626 -0.055417 0.051183 0.180557 0.073771 4C 2dxz -0.130913 -0.018595 0.182875 -0.114423 -0.002137 -0.094638 4C 2dyz -0.222926 -0.032015 0.442555 0.028205 0.115835 0.275491 4C 2dx2y2 0.279150 -0.123988 0.233329 -0.154077 -0.135926 0.150925 4C 2dxy -0.023605 -0.056146 0.430802 -0.143911 -0.097805 0.116706 4C 1f0 -0.230243 0.098119 -0.285061 0.042378 0.138582 -0.170004 4C 1f+1 -0.048366 0.096933 -0.306050 0.049528 0.156687 -0.188966 4C 1f-1 0.000890 -0.023041 -0.088112 0.062135 -0.004106 0.035901 4C 1f+2 0.292095 -0.114831 0.455884 0.044515 -0.221186 0.282932 4C 1f-2 0.149131 -0.010059 0.203563 -0.059781 -0.114985 0.109274 4C 1f+3 0.110424 -0.063826 0.094786 0.050967 -0.070612 0.101472 4C 1f-3 -0.186528 0.015899 -0.450778 0.112933 0.217089 -0.231136 5C 1s 0.007523 0.006727 0.001581 0.006761 -0.010282 -0.014550 5C 2s 0.015099 0.019469 0.004408 0.019053 -0.021276 -0.033036 5C 3s 0.118351 -0.635951 -0.164006 -0.537786 0.210610 0.447250 5C 4s -0.910077 1.850895 0.531242 1.467989 0.495807 -0.802583 5C 5s 0.016596 0.426362 0.031510 0.235111 -0.193450 -0.694034 5C 1pz 0.013076 0.006807 -0.010449 0.069300 -0.027531 0.009398 5C 1px 0.027786 0.082806 0.027217 -0.065842 -0.013334 -0.036843 5C 1py -0.027842 -0.030700 -0.015067 -0.087109 0.048414 -0.000914 5C 2pz -0.782384 0.839049 0.311352 -0.004549 -0.719187 -0.097512 5C 2px -0.131678 -0.271651 0.025246 1.388098 -0.538602 -0.680939 5C 2py 1.264396 -1.308731 -0.293024 -0.463157 1.321302 0.406883 5C 3pz -0.308096 0.302721 0.274321 0.154406 0.296304 0.400929 5C 3px -0.122744 -0.007724 0.128004 0.414921 0.181159 0.086275 5C 3py 0.476584 -0.534331 -0.154794 -0.393762 -0.435060 -0.588729 5C 1dz2 0.055431 0.012357 0.022984 -0.013146 -0.042297 -0.039982 5C 1dxz 0.094222 -0.159175 -0.020157 -0.084395 0.108690 0.020909 5C 1dyz 0.134605 0.013026 0.003284 0.081094 -0.122214 -0.140682 5C 1dx2y2 -0.115689 0.199080 0.090518 0.225289 -0.190585 -0.130360 5C 1dxy -0.087921 0.210413 0.033989 0.093918 -0.167889 -0.051952 5C 2dz2 0.027075 -0.207327 -0.171283 -0.233134 0.095887 0.187939 5C 2dxz 0.213937 -0.071204 -0.088102 0.093195 0.046655 -0.171460 5C 2dyz -0.101572 -0.296892 -0.011290 -0.236067 -0.006079 0.175767 5C 2dx2y2 -0.254910 0.141495 -0.044615 0.114455 -0.197936 -0.028210 5C 2dxy -0.201287 -0.134806 -0.015300 -0.368214 0.076545 0.328621 5C 1f0 0.181464 -0.217351 -0.061404 -0.055971 0.166749 0.085043 5C 1f+1 0.147386 -0.228871 -0.026586 -0.277715 0.223240 0.137583 5C 1f-1 -0.127250 0.127133 -0.010366 0.140228 -0.107338 -0.075789 5C 1f+2 -0.160684 0.092369 0.015357 0.052184 -0.022731 0.015406 5C 1f-2 -0.138787 0.302274 0.051206 0.077056 -0.155668 -0.041398 5C 1f+3 -0.035745 -0.135414 -0.044315 -0.173329 0.110920 0.093332 5C 1f-3 -0.376166 0.430446 0.146016 0.331950 -0.340637 -0.180041 6C 1s 0.007784 -0.006464 -0.001514 -0.006475 -0.010394 -0.013141 6C 2s 0.015768 -0.018844 -0.004247 -0.018466 -0.021600 -0.030254 6C 3s 0.112375 0.632292 0.163063 0.538563 0.223934 0.478026 6C 4s -0.909460 -1.860330 -0.542624 -1.496990 0.454441 -1.016046 6C 5s 0.029529 -0.411636 -0.032257 -0.225234 -0.197784 -0.633890 6C 1pz -0.014685 0.006174 -0.010623 0.069176 0.027854 0.004809 6C 1px -0.026336 0.082348 0.027218 -0.066443 0.014142 -0.032766 6C 1py 0.029529 -0.029625 -0.014723 -0.086646 -0.049519 -0.002250 6C 2pz 0.784744 0.835969 0.293692 -0.003091 0.727352 0.431625 6C 2px 0.118760 -0.271502 0.017840 1.374961 0.564794 0.005243 6C 2py -1.258642 -1.301269 -0.261594 -0.459809 -1.338679 -0.685299 6C 3pz 0.310375 0.305379 0.271554 0.155604 -0.291609 -0.221111 6C 3px 0.119020 -0.006175 0.127267 0.415139 -0.172547 -0.224455 6C 3py -0.475648 -0.538346 -0.148357 -0.394392 0.430439 0.423998 6C 1dz2 0.056752 -0.010469 -0.022847 0.015234 -0.041420 -0.068539 6C 1dxz 0.093361 0.159553 0.018009 0.085457 0.111554 0.069800 6C 1dyz 0.136327 -0.010421 -0.003069 -0.077496 -0.123470 -0.082089 6C 1dx2y2 -0.113542 -0.196408 -0.086406 -0.223816 -0.195963 -0.074887 6C 1dxy -0.085317 -0.209508 -0.030918 -0.093724 -0.170534 -0.152041 6C 2dz2 0.027592 0.207380 0.172510 0.233282 0.104566 0.122440 6C 2dxz 0.216538 0.071121 0.086624 -0.090973 0.044112 0.021642 6C 2dyz -0.104949 0.293480 0.014223 0.236980 -0.003470 0.287876 6C 2dx2y2 -0.255094 -0.144833 0.048240 -0.113858 -0.202647 0.025836 6C 2dxy -0.205556 0.136438 0.016499 0.365591 0.087790 0.076423 6C 1f0 -0.182277 -0.216679 -0.057837 -0.056532 -0.169667 -0.132975 6C 1f+1 -0.143800 -0.227952 -0.022065 -0.275738 -0.229253 -0.137249 6C 1f-1 0.124659 0.125627 -0.013519 0.139323 0.109281 0.061161 6C 1f+2 0.162108 0.094340 0.013803 0.055645 0.025269 0.002217 6C 1f-2 0.136213 0.299282 0.047258 0.076596 0.157596 0.111760 6C 1f+3 0.038977 -0.132484 -0.043535 -0.170500 -0.114290 -0.087791 6C 1f-3 0.375611 0.431087 0.139116 0.334094 0.351701 0.203426 7C 1s -0.008863 0.001579 -0.007512 -0.000568 -0.004696 0.012549 7C 2s -0.019311 0.004072 -0.022346 0.000291 -0.008482 0.027480 7C 3s -0.042394 -0.157811 0.819151 -0.131756 0.045014 -0.417062 7C 4s 0.772083 0.503244 -2.461803 0.589857 0.735437 0.663946 7C 5s -0.063052 -0.062723 -0.438206 0.179802 0.031622 0.604674 7C 1pz 0.047399 0.007205 0.073154 -0.037263 0.038849 0.001336 7C 1px 0.011871 -0.087672 0.015389 0.086591 0.005478 -0.022798 7C 1py 0.030245 -0.016823 0.050766 0.018690 0.023001 -0.005982 7C 2pz -1.236880 -0.489918 1.121829 0.175525 1.160411 -0.713807 7C 2px -0.075336 0.629758 0.748613 -1.074889 0.303222 -0.417714 7C 2py -0.738528 -0.150429 0.890285 -0.385517 0.784530 -0.566285 7C 3pz -0.342134 -0.352438 0.619301 0.135973 -0.095148 0.744912 7C 3px -0.042481 0.159806 0.235195 -0.202414 0.016868 -0.002982 7C 3py -0.241675 -0.312164 0.405431 -0.125008 -0.089910 0.448095 7C 1dz2 0.001805 -0.047331 0.195077 -0.049735 0.112057 -0.125254 7C 1dxz -0.142081 -0.094531 0.219788 0.020928 0.128200 -0.043133 7C 1dyz 0.090006 -0.030388 0.148027 0.020324 0.123374 -0.144064 7C 1dx2y2 0.111334 0.031563 -0.217678 0.014058 -0.100064 0.051885 7C 1dxy 0.043661 -0.026761 -0.025829 0.050538 0.021882 -0.012535 7C 2dz2 -0.279607 0.098816 0.060604 -0.053392 0.185442 -0.041366 7C 2dxz -0.133081 0.021799 -0.182436 0.115212 -0.007246 0.094640 7C 2dyz -0.230651 0.031771 -0.437468 -0.028043 0.110271 0.183307 7C 2dx2y2 0.278336 0.124946 -0.233953 0.156201 -0.140379 0.122190 7C 2dxy -0.024836 0.059191 -0.432168 0.144949 -0.109011 0.227580 7C 1f0 0.229637 0.100496 -0.287908 0.046486 -0.145254 0.130460 7C 1f+1 0.046177 0.097588 -0.302377 0.051813 -0.160833 0.151192 7C 1f-1 -0.002054 -0.021671 -0.089626 0.062965 0.002176 -0.019860 7C 1f+2 -0.285914 -0.115346 0.448647 0.038659 0.225669 -0.183365 7C 1f-2 -0.147517 -0.011148 0.202610 -0.062237 0.118102 -0.112180 7C 1f+3 -0.113508 -0.065166 0.098824 0.049288 0.074879 -0.059710 7C 1f-3 0.181283 0.018129 -0.447279 0.116821 -0.224354 0.203763 8C 1s -0.004594 -0.012839 -0.002246 -0.010498 -0.012456 -0.006501 8C 2s -0.013916 -0.035429 -0.006538 -0.029790 -0.037412 -0.018591 8C 3s 0.232381 0.271666 0.062550 0.197251 0.439246 0.119267 8C 4s -0.979254 -0.061485 -0.053442 0.206423 -0.778593 0.239100 8C 5s -0.266980 -0.967802 -0.408023 -0.709587 -0.317497 0.064867 8C 1pz -0.059198 -0.116511 -0.010309 -0.094395 -0.125066 -0.054436 8C 1px -0.033889 -0.087012 -0.016981 -0.051689 -0.094415 -0.044283 8C 1py 0.079580 0.185172 0.053514 0.146206 0.221830 0.099305 8C 2pz 0.416784 0.053706 -0.193951 0.046448 0.458902 -0.002892 8C 2px -0.250054 0.400673 0.064795 -0.147891 0.446349 0.030263 8C 2py -0.847322 -0.686670 -0.282524 -0.463047 -1.347821 -0.452234 8C 3pz -0.029620 0.168171 0.013008 0.075224 0.122297 0.001113 8C 3px 0.268902 0.057837 0.054465 0.171185 0.026060 -0.076700 8C 3py -0.091577 -0.156511 -0.098771 -0.120861 -0.019510 0.115244 8C 1dz2 -0.023582 -0.036037 -0.019736 -0.034689 -0.029640 -0.010979 8C 1dxz -0.083299 0.032418 0.000183 -0.023455 -0.020753 -0.041720 8C 1dyz 0.006423 0.031977 0.041191 0.001772 0.048164 0.030718 8C 1dx2y2 -0.021366 -0.088356 -0.038396 -0.065306 -0.028841 -0.040155 8C 1dxy -0.105600 -0.114841 -0.050300 -0.119985 -0.072973 -0.026234 8C 2dz2 0.135734 0.179755 0.168107 0.135693 0.248849 0.131475 8C 2dxz -0.333860 -0.180443 0.002717 -0.197415 -0.259809 -0.142782 8C 2dyz 0.148332 0.446457 0.066799 0.286072 0.663901 0.281976 8C 2dx2y2 0.096604 0.050972 0.047692 0.065907 0.229593 0.028417 8C 2dxy 0.188291 0.265413 0.055666 0.135789 0.367703 0.087737 8C 1f0 -0.073598 -0.196355 -0.048123 -0.154537 -0.248620 -0.119679 8C 1f+1 -0.135312 -0.066824 -0.034414 -0.059802 -0.071595 -0.041506 8C 1f-1 -0.210927 -0.284630 -0.018977 -0.244745 -0.268670 -0.180967 8C 1f+2 -0.178232 -0.062276 -0.013723 -0.123563 -0.103734 -0.041746 8C 1f-2 0.135923 0.056255 0.018717 0.088402 0.037653 0.048612 8C 1f+3 -0.035723 0.025101 0.019711 0.012475 0.077189 0.043433 8C 1f-3 0.076340 0.021537 -0.027324 -0.010225 -0.019746 0.004054 9C 1s 0.003456 0.002850 -0.016347 0.000557 -0.009930 0.008447 9C 2s 0.010667 0.007687 -0.045027 0.002683 -0.030011 0.023562 9C 3s -0.220653 -0.059269 0.303670 -0.047393 0.400518 -0.160953 9C 4s 1.067410 0.002305 0.170344 0.150364 -0.949829 -0.141785 9C 5s 0.120607 0.686709 -1.143350 -0.232757 -0.505919 -0.234744 9C 1pz 0.064365 0.055823 -0.223560 0.021967 -0.180463 0.115365 9C 1px 0.008633 0.022677 -0.048951 -0.003632 -0.047271 0.037050 9C 1py 0.049860 0.025279 -0.161223 -0.002057 -0.124840 0.079023 9C 2pz -0.806387 -0.188059 0.658572 -0.171971 1.170473 -0.573759 9C 2px 0.151852 -0.379164 0.285592 0.214637 0.320075 -0.294436 9C 2py -0.369016 0.031437 0.239202 0.138570 0.650508 -0.262970 9C 3pz -0.040740 -0.157489 0.179770 0.017547 0.116432 0.151948 9C 3px -0.196656 0.006453 0.122769 -0.082152 0.004347 0.040666 9C 3py -0.052647 -0.058367 0.210749 0.032764 0.132868 0.046379 9C 1dz2 0.014311 -0.018989 0.030248 -0.021523 -0.007134 0.023441 9C 1dxz -0.051600 -0.072374 0.181587 -0.014355 0.065816 -0.071310 9C 1dyz -0.030318 0.025606 0.068917 -0.036758 0.000966 0.012403 9C 1dx2y2 -0.060866 0.017141 0.007221 -0.039781 0.028033 -0.032230 9C 1dxy -0.019231 0.003681 0.049923 0.000293 0.015815 -0.024589 9C 2dz2 0.104626 0.103910 -0.179496 0.095155 -0.300970 0.153763 9C 2dxz 0.184747 0.040735 -0.137677 0.038277 -0.159109 0.066096 9C 2dyz 0.183885 0.101618 -0.510276 -0.045894 -0.590118 0.400390 9C 2dx2y2 -0.175055 0.076377 0.104018 -0.022150 0.134106 -0.017053 9C 2dxy 0.161855 0.111363 -0.306346 0.027743 -0.248197 0.209713 9C 1f0 0.065152 -0.003884 -0.104826 -0.036318 -0.057126 0.055860 9C 1f+1 0.181913 -0.016868 -0.190072 0.040275 -0.087104 0.052431 9C 1f-1 -0.177855 -0.048623 0.340641 -0.060142 0.265988 -0.180874 9C 1f+2 -0.036074 -0.021661 0.017013 -0.007918 -0.005443 -0.014818 9C 1f-2 0.117218 0.026839 -0.222960 0.016949 -0.099090 0.106294 9C 1f+3 0.051562 -0.051053 0.116525 0.035973 0.103962 -0.105931 9C 1f-3 0.105727 0.005200 -0.024208 0.031830 -0.012411 -0.005436 10H 1s 0.140541 -0.027331 0.170706 -0.003679 -0.122837 0.172557 10H 2s 0.238690 0.212871 0.037214 -0.172039 -0.052100 0.244155 10H 3s -0.131777 -0.032579 -0.142416 0.072635 0.026945 -0.120353 10H 1pz -0.028014 0.057549 -0.058219 -0.023392 0.016421 0.033888 10H 1px -0.156256 -0.055436 -0.084738 0.053916 0.079717 -0.149195 10H 1py -0.061721 0.036564 -0.069827 -0.006036 0.035450 -0.028597 11H 1s 0.000583 -0.069267 0.171455 0.032207 -0.111771 0.137190 11H 2s 0.007375 -0.189424 0.438038 0.004692 -0.244752 0.222059 11H 3s 0.108557 0.118770 -0.189305 -0.072893 0.147272 -0.198647 11H 1pz 0.056553 -0.090524 0.246078 -0.013168 -0.129336 0.143231 11H 1px -0.034553 -0.070130 0.110661 0.020594 -0.069967 0.062079 11H 1py 0.009480 0.014330 -0.000031 -0.017958 0.009289 -0.009025 12H 1s -0.070143 -0.041546 0.050662 0.038933 -0.052724 0.023294 12H 2s -0.168172 -0.017694 0.051247 0.153610 -0.011236 -0.138938 12H 3s 0.103445 0.099624 -0.066250 -0.102760 0.042615 -0.072465 12H 1pz 0.052508 -0.003710 0.094644 -0.013476 -0.034344 0.061693 12H 1px -0.076354 -0.009199 -0.002375 0.040017 -0.006378 -0.022861 12H 1py -0.048737 -0.019546 0.060172 0.072220 -0.033644 -0.012638 13H 1s -0.175983 0.128180 0.029672 0.103842 -0.139891 -0.011986 13H 2s -0.338972 -0.112755 -0.101160 0.191083 -0.053842 0.161092 13H 3s 0.183395 -0.019626 -0.022053 -0.174606 0.024722 -0.012481 13H 1pz -0.053184 -0.057992 -0.039242 0.033158 -0.009282 0.045061 13H 1px 0.190699 -0.041344 0.006136 -0.092230 0.090018 -0.015038 13H 1py -0.034347 0.067404 0.028904 0.008316 -0.020940 -0.027126 14H 1s 0.095584 0.048665 0.012019 -0.004243 -0.057783 -0.066872 14H 2s 0.355564 0.017661 -0.081529 -0.147563 0.033714 -0.190154 14H 3s -0.177937 -0.111816 -0.011075 0.047324 0.040364 0.079555 14H 1pz 0.033460 0.037335 -0.015946 -0.008589 -0.016810 -0.034228 14H 1px 0.176685 0.010518 -0.029177 -0.063364 -0.009821 -0.091454 14H 1py 0.041504 -0.045933 -0.005137 -0.058666 0.036979 0.019056 15H 1s -0.026651 0.177816 0.053798 0.109568 -0.173767 -0.146928 15H 2s -0.105117 0.412148 0.186734 0.325368 -0.402407 -0.418133 15H 3s -0.079809 -0.218151 -0.070833 -0.104193 0.234152 0.182403 15H 1pz -0.021488 -0.046274 -0.024395 -0.015220 0.056688 0.082312 15H 1px 0.022573 0.060721 0.030658 0.029800 -0.054093 -0.066760 15H 1py 0.102996 -0.237370 -0.103249 -0.192011 0.213506 0.181218 16H 1s 0.158450 -0.102305 0.034933 0.181641 0.006140 -0.128946 16H 2s 0.034907 -0.195722 -0.019588 0.224746 0.086630 -0.100341 16H 3s -0.056197 0.007685 0.042839 0.011789 -0.025658 -0.014495 16H 1pz 0.108776 -0.126821 0.010140 0.186648 0.037187 -0.117907 16H 1px -0.000935 0.017068 -0.007803 -0.033100 -0.002643 -0.001546 16H 1py 0.085246 -0.055799 0.009477 0.117525 0.009591 -0.070627 17H 1s -0.147607 0.120110 -0.011627 -0.163171 0.002156 0.059253 17H 2s -0.241486 0.128517 -0.101684 -0.321329 0.061669 0.257388 17H 3s 0.049061 -0.022108 0.033667 0.004533 -0.036449 -0.028701 17H 1pz 0.105553 -0.078929 0.007703 0.114352 -0.025781 -0.056526 17H 1px 0.125955 -0.083899 0.035012 0.157576 -0.007225 -0.112667 17H 1py -0.102736 0.094590 -0.026619 -0.126777 0.009290 0.073836 18H 1s -0.144835 -0.120677 0.014914 0.159929 0.001582 0.139159 18H 2s -0.241986 -0.127559 0.109677 0.314369 0.066547 0.058794 18H 3s 0.046735 0.022920 -0.033025 -0.004328 -0.037217 0.013622 18H 1pz -0.107632 -0.081929 0.010930 0.116248 0.026255 0.069082 18H 1px -0.125450 -0.084391 0.038903 0.154626 0.008583 0.068025 18H 1py 0.097192 0.091642 -0.028565 -0.119474 -0.008840 -0.087251 19H 1s 0.158255 0.103013 -0.038438 -0.178002 0.003995 -0.080322 19H 2s 0.029290 0.199656 0.018293 -0.220414 0.089695 -0.360078 19H 3s -0.056881 -0.006810 -0.041709 -0.012153 -0.027634 0.024842 19H 1pz -0.104584 -0.126604 0.012805 0.179565 -0.036578 0.169911 19H 1px 0.000941 0.018901 -0.008256 -0.034495 0.003307 -0.054818 19H 1py -0.087580 -0.059752 0.011323 0.120271 -0.009781 0.079385 20H 1s -0.023223 -0.174418 -0.050595 -0.105443 -0.176043 -0.135260 20H 2s -0.096391 -0.401674 -0.179407 -0.314453 -0.408524 -0.284171 20H 3s -0.083421 0.214520 0.069540 0.096864 0.235997 0.170594 20H 1pz 0.022770 -0.044478 -0.023639 -0.012399 -0.057101 -0.048592 20H 1px -0.023722 0.059971 0.030522 0.028559 0.056298 0.034880 20H 1py -0.099414 -0.232602 -0.098691 -0.187679 -0.217077 -0.152943 21H 1s 0.095538 -0.048091 -0.012502 0.006631 -0.059377 -0.013837 21H 2s 0.351963 -0.019402 0.076921 0.149241 0.029185 0.113664 21H 3s -0.178860 0.111885 0.012980 -0.050240 0.043536 0.041505 21H 1pz -0.033000 0.038706 -0.015635 -0.008229 0.018659 -0.011781 21H 1px -0.174924 0.010868 -0.027162 -0.064929 0.011397 -0.025311 21H 1py -0.041836 -0.047002 -0.004460 -0.060006 -0.038862 -0.031195 22H 1s -0.176527 -0.129130 -0.026474 -0.105692 -0.142575 -0.083425 22H 2s -0.339174 0.110722 0.102705 -0.198556 -0.051007 -0.097535 22H 3s 0.184329 0.021235 0.020400 0.177307 0.025834 0.053637 22H 1pz 0.052231 -0.057634 -0.038951 0.034048 0.007574 0.014778 22H 1px -0.191431 -0.042644 0.008516 -0.095216 -0.091324 -0.070729 22H 1py 0.034285 0.068393 0.027989 0.008030 0.022882 -0.002783 23H 1s -0.068718 0.042895 -0.052022 -0.038922 -0.055924 0.056030 23H 2s -0.159759 0.019723 -0.064412 -0.150080 -0.024332 0.132572 23H 3s 0.102739 -0.099244 0.067667 0.102454 0.048189 -0.083353 23H 1pz -0.052049 -0.004039 0.094772 -0.014881 0.036028 -0.029001 23H 1px 0.073683 -0.009405 -0.001169 0.039231 0.008372 -0.038614 23H 1py 0.045695 -0.021161 0.066368 0.070753 0.039931 -0.068030 24H 1s -0.003501 0.069230 -0.162083 -0.031776 -0.112033 0.121780 24H 2s -0.006103 0.191110 -0.412988 -0.003131 -0.243236 0.333152 24H 3s 0.111459 -0.119933 0.178264 0.074793 0.146881 -0.178695 24H 1pz -0.050705 -0.090894 0.235678 -0.014602 0.129302 -0.138302 24H 1px 0.038369 -0.071065 0.104119 0.020792 0.070655 -0.104163 24H 1py -0.009761 0.013682 0.004757 -0.018378 -0.007441 0.022394 25H 1s 0.139252 0.028684 -0.169787 0.006098 -0.125049 0.086252 25H 2s 0.236975 -0.211763 -0.038580 0.176444 -0.049160 0.017717 25H 3s -0.130017 0.032227 0.142950 -0.073804 0.027691 -0.023781 25H 1pz 0.027505 0.058220 -0.059229 -0.023649 -0.018387 0.005515 25H 1px 0.155300 -0.054394 -0.084844 0.056383 -0.079931 0.057035 25H 1py 0.062906 0.036049 -0.070355 -0.004387 -0.037384 0.027417 26O 1s 0.009000 0.001613 0.010731 -0.006891 -0.005368 0.008494 26O 2s 0.025576 0.007771 0.029092 -0.023338 -0.014582 0.031299 26O 3s -0.096568 -0.101191 0.011027 0.141941 -0.007255 -0.211913 26O 4s -0.086006 0.215511 -0.883941 0.018789 0.593358 0.081442 26O 5s -1.053926 0.053723 -1.054107 0.764253 -0.582017 -0.202922 26O 1pz 0.023812 -0.066633 0.073213 0.056939 -0.039374 0.100403 26O 1px 0.019760 -0.022275 0.041329 0.030251 -0.060322 0.075207 26O 1py 0.003406 -0.028705 0.054493 0.053911 -0.043708 0.082304 26O 2pz -0.169090 0.274057 -0.247718 -0.262707 0.175591 -0.229846 26O 2px 0.285666 0.014660 0.809926 -0.398475 -0.224832 0.170867 26O 2py 0.068498 0.097332 0.181398 -0.344555 0.009028 -0.044458 26O 3pz -0.243751 0.098937 0.239230 -0.219294 -0.446943 0.251752 26O 3px 0.260985 0.112082 0.693561 -0.483640 -0.158178 0.269322 26O 3py 0.006837 0.271547 0.441225 -0.215840 -0.321392 0.240445 26O 1dz2 -0.007080 -0.013896 -0.037701 0.018896 0.008837 -0.035740 26O 1dxz -0.007370 0.000586 0.002437 0.001177 -0.003669 0.005508 26O 1dyz 0.008564 -0.004332 -0.013077 0.021027 -0.006315 -0.026184 26O 1dx2y2 0.009796 0.005465 0.032562 -0.018975 -0.012193 0.023378 26O 1dxy 0.002862 -0.002862 0.027012 -0.015939 -0.017387 0.019751 26O 2dz2 0.084674 -0.006987 0.232479 -0.106086 -0.112926 0.057975 26O 2dxz 0.110950 -0.043028 0.176443 0.006585 -0.103902 0.177852 26O 2dyz 0.057340 0.017507 0.128195 -0.042875 -0.112934 0.108161 26O 2dx2y2 -0.127710 0.020485 -0.325923 0.100098 0.136456 -0.112147 26O 2dxy -0.095364 0.003529 -0.164409 0.068151 0.023186 0.037840 26O 1f0 -0.019914 0.019423 -0.004672 -0.002962 0.000510 -0.000141 26O 1f+1 -0.002455 -0.002202 -0.011164 -0.003451 0.017641 -0.017811 26O 1f-1 -0.024534 0.016855 0.007406 -0.031102 -0.007112 0.029826 26O 1f+2 0.010001 -0.008436 -0.018190 0.024361 0.006829 -0.024885 26O 1f-2 0.034042 -0.005912 0.044539 0.006804 -0.011643 0.028175 26O 1f+3 0.006181 0.001859 -0.004029 0.003350 0.006334 -0.006953 26O 1f-3 -0.007032 0.016069 -0.030696 -0.002487 0.022845 -0.028775 27O 1s -0.010385 0.005228 0.002061 0.013250 -0.007402 -0.005311 27O 2s -0.030666 0.011927 0.005009 0.042006 -0.022006 -0.016441 27O 3s 0.147131 0.067728 0.008700 -0.188765 0.038530 0.043440 27O 4s -0.086713 -0.576031 -0.158119 -0.272512 0.614677 0.382582 27O 5s 1.231389 -0.607832 -0.153429 -1.194439 -0.652219 0.023841 27O 1pz -0.012929 0.060561 -0.008828 -0.007702 -0.020992 -0.013422 27O 1px -0.034105 0.110687 0.011439 0.009370 -0.080754 0.001148 27O 1py 0.038685 -0.132310 -0.021220 0.005344 0.064511 0.017470 27O 2pz 0.130946 -0.284713 0.000851 -0.013579 0.135125 0.077662 27O 2px -0.239662 0.242495 0.115116 0.744582 -0.292526 -0.419574 27O 2py -0.173753 0.401604 0.090279 -0.170126 -0.164420 0.002262 27O 3pz 0.227783 -0.043938 -0.118345 0.084887 -0.349946 -0.228190 27O 3px -0.198719 0.252789 0.149503 0.772155 -0.304441 -0.384772 27O 3py -0.226354 0.034261 -0.182806 -0.301689 0.575140 0.479549 27O 1dz2 0.011290 -0.007900 -0.013661 -0.016974 0.015245 0.014728 27O 1dxz 0.005437 0.000546 0.003297 -0.010270 0.002207 0.005455 27O 1dyz 0.005969 -0.000364 0.001681 0.025204 -0.001514 -0.005029 27O 1dx2y2 -0.012671 0.017970 0.000014 0.055671 -0.029669 -0.025809 27O 1dxy -0.004217 -0.010736 0.001949 -0.004626 0.013487 0.002398 27O 2dz2 -0.066929 0.093436 0.016825 0.130200 -0.046184 -0.044399 27O 2dxz -0.097730 0.095734 0.036401 0.115983 -0.114093 -0.104376 27O 2dyz 0.000890 0.012792 -0.006553 -0.072714 0.088961 0.077260 27O 2dx2y2 0.157596 -0.186558 -0.087568 -0.297953 0.202739 0.184704 27O 2dxy 0.080607 -0.095724 -0.022528 -0.053697 0.146065 0.085418 27O 1f0 -0.004596 0.003038 0.004900 -0.009660 0.010089 0.001630 27O 1f+1 0.002099 -0.022528 -0.009631 -0.006111 0.017187 0.008394 27O 1f-1 -0.015274 0.026614 -0.009842 -0.000906 -0.004035 -0.005881 27O 1f+2 -0.022350 0.001215 0.002819 -0.032987 0.029332 0.008938 27O 1f-2 0.019819 -0.029003 -0.005396 -0.032130 0.018268 0.016074 27O 1f+3 0.003347 -0.020548 0.003224 -0.007195 0.021298 0.002096 27O 1f-3 -0.032866 0.034671 0.009708 -0.006001 -0.009240 -0.001621 28O 1s 0.013272 -0.009700 0.014126 0.004818 -0.007208 0.008077 28O 2s 0.037755 -0.032731 0.041611 0.018233 -0.020279 0.023694 28O 3s -0.148822 0.219291 -0.142627 -0.157082 0.038925 -0.039573 28O 4s -0.089855 -0.211113 -0.193687 0.183097 0.431302 -0.610432 28O 5s -1.191337 0.831956 -0.980843 -0.291184 -0.645521 0.290957 28O 1pz 0.004407 0.017816 0.143817 -0.065978 -0.056285 0.015019 28O 1px -0.048834 0.009268 -0.078986 0.004289 0.063238 -0.021522 28O 1py -0.002912 0.033095 0.063813 -0.033964 -0.011149 0.003051 28O 2pz 0.319393 -0.301252 0.097807 0.333852 -0.058560 0.357416 28O 2px -0.228990 0.194646 -0.336711 -0.080595 0.125174 -0.399174 28O 2py 0.062708 -0.182846 -0.088464 0.148336 0.014050 0.059112 28O 3pz -0.090564 -0.400702 0.154242 0.265840 -0.392850 0.755507 28O 3px -0.337064 0.270397 -0.362808 -0.162891 -0.055295 -0.087825 28O 3py -0.258357 0.032565 0.005920 0.205790 -0.309441 0.457454 28O 1dz2 0.029543 -0.000940 0.025242 -0.012902 -0.017667 0.009633 28O 1dxz -0.019536 0.023770 -0.057512 -0.019738 0.026761 -0.040678 28O 1dyz 0.020453 0.013222 0.002274 -0.015383 -0.015425 0.003106 28O 1dx2y2 0.003478 -0.021771 0.007896 0.008435 -0.002997 0.017181 28O 1dxy -0.015602 0.016037 -0.028898 0.001416 0.008612 -0.012457 28O 2dz2 -0.108657 -0.017708 -0.020681 0.017860 -0.026225 0.068351 28O 2dxz 0.222000 -0.115083 0.215778 0.048957 -0.118161 0.207351 28O 2dyz -0.061320 -0.012733 -0.039966 0.043245 -0.051496 0.102619 28O 2dx2y2 -0.045146 0.059509 -0.144768 -0.039318 0.082302 -0.161083 28O 2dxy 0.041080 -0.024735 0.022764 0.028438 -0.039099 0.035687 28O 1f0 0.002849 0.007527 -0.007932 -0.001482 0.012118 -0.002892 28O 1f+1 0.011038 -0.012171 0.021165 0.020263 -0.012391 0.016242 28O 1f-1 0.009737 -0.016574 0.059017 0.011968 -0.029587 0.046924 28O 1f+2 0.013609 0.011040 0.024143 -0.005503 -0.015758 0.004280 28O 1f-2 -0.006088 -0.017099 0.011332 0.019459 -0.018072 0.017521 28O 1f+3 0.017756 -0.021790 0.037133 -0.001620 -0.023455 0.023392 28O 1f-3 0.008522 -0.011019 0.023103 -0.000231 -0.006089 0.011536 29O 1s -0.001924 -0.001318 -0.000686 -0.000994 0.001823 -0.002985 29O 2s -0.006264 -0.004772 -0.002603 -0.003539 0.006402 -0.009542 29O 3s 0.042253 0.045853 0.021322 0.031012 -0.045932 0.072558 29O 4s -0.086468 -0.122226 -0.055042 -0.080060 0.076045 -0.098873 29O 5s 0.271554 0.197791 0.158154 0.166692 -0.212208 0.025740 29O 1pz -0.096630 0.066067 -0.018098 -0.109313 -0.016840 0.082619 29O 1px -0.042421 0.031756 -0.005953 -0.037058 0.027045 -0.034425 29O 1py 0.026776 -0.001242 0.003155 0.015022 -0.006062 -0.007369 29O 2pz 0.386286 -0.309910 0.056642 0.490689 0.057783 -0.335654 29O 2px 0.184222 -0.128386 0.042671 0.184775 -0.090625 -0.000463 29O 2py -0.094170 0.027002 -0.023376 -0.057819 0.036025 0.036091 29O 3pz -0.052560 -0.018377 0.034509 0.078837 -0.016539 -0.021983 29O 3px -0.066214 -0.046567 -0.057259 -0.013799 0.073735 -0.035403 29O 3py -0.050498 -0.029554 -0.027955 -0.042286 0.029131 0.043938 29O 1dz2 -0.002142 0.002552 0.004921 -0.000766 0.004517 0.004690 29O 1dxz -0.001581 0.000998 -0.012436 -0.008211 -0.001602 0.011100 29O 1dyz -0.009798 0.004275 -0.003661 -0.016864 -0.000213 0.010514 29O 1dx2y2 -0.004373 -0.000347 0.003806 -0.004892 -0.003354 -0.013437 29O 1dxy 0.006354 0.011242 -0.002981 0.001051 0.000061 -0.002812 29O 2dz2 -0.094143 0.080716 -0.002421 -0.133166 -0.017263 0.091895 29O 2dxz 0.102672 -0.080719 0.003757 0.106310 -0.023100 -0.046910 29O 2dyz -0.171927 0.143545 -0.033707 -0.238408 -0.013306 0.147931 29O 2dx2y2 0.012091 -0.020388 0.006337 0.024508 0.019344 -0.048298 29O 2dxy -0.074212 0.078714 -0.018901 -0.096889 0.018809 0.040921 29O 1f0 -0.011704 0.004180 -0.002031 -0.014336 0.001027 0.008165 29O 1f+1 -0.010577 0.019034 0.007035 -0.019419 0.000451 0.014974 29O 1f-1 -0.021131 0.019214 -0.005277 -0.027332 -0.002800 0.021000 29O 1f+2 0.014736 -0.009123 -0.010246 0.015877 -0.004775 -0.000478 29O 1f-2 0.030968 -0.033303 0.008113 0.035801 -0.000898 -0.017659 29O 1f+3 -0.008536 0.010683 -0.003497 -0.013717 -0.000853 0.029404 29O 1f-3 -0.028510 -0.001303 0.006056 -0.026102 -0.001039 0.005348 30O 1s -0.013987 0.017246 0.004970 0.002906 -0.008426 -0.008402 30O 2s -0.039216 0.053421 0.016094 0.005140 -0.024871 -0.032490 30O 3s 0.135717 -0.240160 -0.091279 0.061424 0.060597 0.289858 30O 4s 0.187252 -0.195910 0.066087 -0.226966 0.503893 -0.592678 30O 5s 1.357823 -1.173687 -0.612293 -0.152036 -0.837810 0.357748 30O 1pz -0.010978 0.036241 0.000203 0.100189 -0.060010 -0.072074 30O 1px 0.052113 -0.053750 -0.007386 -0.015587 0.058635 0.025420 30O 1py -0.007405 -0.038772 -0.026100 -0.122733 0.067759 0.101743 30O 2pz -0.261624 0.356509 0.141841 -0.191006 -0.064334 0.079104 30O 2px 0.262905 -0.410949 -0.112030 -0.168557 0.187720 -0.017606 30O 2py 0.342679 -0.396788 -0.057151 0.271778 0.046275 -0.136910 30O 3pz 0.039354 0.504251 -0.130649 -0.142647 -0.409436 -0.119836 30O 3px 0.423980 -0.439291 -0.175298 -0.001955 -0.185710 0.076503 30O 3py -0.239763 -0.565499 -0.051839 0.281026 0.615841 0.094055 30O 1dz2 0.000088 0.003798 -0.000336 0.003935 -0.000668 -0.006134 30O 1dxz 0.007717 -0.040007 -0.021227 -0.003948 0.022814 0.019795 30O 1dyz 0.030623 -0.015296 0.002164 -0.020187 0.024157 -0.005548 30O 1dx2y2 0.021941 0.001787 -0.003313 -0.019667 0.008321 -0.005763 30O 1dxy -0.019417 0.059189 0.010945 0.012322 -0.028353 -0.038286 30O 2dz2 -0.005562 0.033370 -0.001796 0.036280 -0.010001 -0.002876 30O 2dxz -0.153419 0.220710 0.033773 0.042138 -0.117147 -0.002103 30O 2dyz -0.188752 0.083624 0.045387 0.071882 0.031124 0.050067 30O 2dx2y2 -0.053184 -0.116761 -0.019743 -0.016452 0.104097 0.062511 30O 2dxy 0.181949 -0.220104 -0.038948 -0.021721 0.131656 -0.050655 30O 1f0 0.012333 -0.050033 -0.018675 -0.020966 0.043704 0.031870 30O 1f+1 -0.006921 0.009691 0.010321 0.005274 -0.003573 -0.007996 30O 1f-1 -0.004919 0.000707 -0.006886 -0.003432 -0.004004 0.002569 30O 1f+2 -0.005109 -0.017515 0.004764 -0.000646 0.003729 0.012310 30O 1f-2 -0.019815 -0.005913 -0.006544 0.030306 0.000020 -0.001130 30O 1f+3 -0.024168 0.062039 0.006669 0.014976 -0.042913 -0.036491 30O 1f-3 0.003087 0.003904 0.002256 -0.000592 -0.013929 -0.007958 31O 1s -0.014020 -0.017176 -0.004671 -0.002844 -0.008631 -0.006800 31O 2s -0.039368 -0.053161 -0.015234 -0.004827 -0.025506 -0.021245 31O 3s 0.137838 0.238462 0.087876 -0.065454 0.063529 0.081092 31O 4s 0.180969 0.194861 -0.069734 0.235818 0.500788 0.269514 31O 5s 1.372343 1.175945 0.602483 0.165386 -0.821381 -0.001277 31O 1pz 0.009250 0.035354 -0.001308 0.098617 0.062188 0.011134 31O 1px -0.051534 -0.053152 -0.005604 -0.015151 -0.059587 -0.002737 31O 1py 0.009235 -0.037403 -0.025051 -0.120866 -0.070852 -0.020450 31O 2pz 0.267074 0.357642 0.141299 -0.184499 0.064200 0.172910 31O 2px -0.261999 -0.409185 -0.108394 -0.171502 -0.190663 -0.274140 31O 2py -0.348829 -0.399930 -0.055425 0.263627 -0.043994 -0.158243 31O 3pz -0.046226 0.499311 -0.132633 -0.148839 0.405800 0.384344 31O 3px -0.426285 -0.439739 -0.171333 -0.006917 0.180378 -0.000033 31O 3py 0.247257 -0.559159 -0.051684 0.291110 -0.613906 -0.521270 31O 1dz2 -0.000031 -0.003864 0.000245 -0.004006 -0.000834 0.001309 31O 1dxz 0.007828 0.039893 0.021003 0.003826 0.023568 0.020229 31O 1dyz 0.030514 0.015414 -0.002894 0.020306 0.024403 0.013764 31O 1dx2y2 0.021963 -0.001529 0.002937 0.019857 0.008754 -0.004499 31O 1dxy -0.019385 -0.059044 -0.010584 -0.012295 -0.029280 -0.026968 31O 2dz2 -0.004925 -0.033210 0.002188 -0.036260 -0.010378 -0.020032 31O 2dxz -0.152510 -0.219841 -0.031263 -0.043639 -0.118506 -0.118367 31O 2dyz -0.190043 -0.085352 -0.043475 -0.075857 0.028469 0.043763 31O 2dx2y2 -0.055290 0.114530 0.019550 0.013949 0.104297 0.125869 31O 2dxy 0.181514 0.220448 0.035813 0.023910 0.133068 0.105839 31O 1f0 -0.012167 -0.049891 -0.018390 -0.020782 -0.044906 -0.021093 31O 1f+1 0.007111 0.009608 0.010173 0.005336 0.003883 0.008095 31O 1f-1 0.004868 0.000760 -0.006971 -0.003408 0.003774 -0.001839 31O 1f+2 0.005408 -0.017457 0.004469 -0.000628 -0.003877 -0.014030 31O 1f-2 0.019173 -0.006453 -0.007203 0.030007 -0.000205 0.001117 31O 1f+3 0.023907 0.061857 0.006088 0.014794 0.043854 0.028477 31O 1f-3 -0.003007 0.003625 0.002193 -0.000891 0.013988 -0.003283 32O 1s -0.001892 0.001359 0.000761 0.000941 0.001820 0.000982 32O 2s -0.006151 0.004895 0.002840 0.003351 0.006423 0.002915 32O 3s 0.041380 -0.046562 -0.022941 -0.029355 -0.046446 -0.027309 32O 4s -0.085821 0.123604 0.057951 0.075989 0.078984 0.028557 32O 5s 0.275054 -0.203639 -0.165652 -0.159218 -0.220660 0.160419 32O 1pz 0.096586 0.066718 -0.020292 -0.107445 0.015744 -0.063102 32O 1px 0.039927 0.031581 -0.007049 -0.035981 -0.025968 -0.060232 32O 1py -0.024306 0.000226 0.002998 0.012324 0.006351 -0.006580 32O 2pz -0.385078 -0.313163 0.066474 0.482545 -0.054296 0.338644 32O 2px -0.177323 -0.127335 0.047279 0.179073 0.089836 0.158863 32O 2py 0.083958 0.019110 -0.023195 -0.044945 -0.037201 0.025687 32O 3pz 0.052701 -0.018780 0.034572 0.078058 0.017827 0.051424 32O 3px 0.063324 -0.046453 -0.057333 -0.012462 -0.075528 0.023609 32O 3py 0.054951 -0.031569 -0.029819 -0.039970 -0.031584 0.073601 32O 1dz2 -0.002533 -0.002742 -0.005203 0.000776 0.004612 -0.005004 32O 1dxz -0.001534 -0.001159 0.012380 0.008033 -0.001140 -0.001761 32O 1dyz -0.009855 -0.004433 0.003891 0.016573 0.000079 0.006148 32O 1dx2y2 -0.004483 0.000285 -0.003764 0.004817 -0.003728 0.016314 32O 1dxy 0.006458 -0.011305 0.003002 -0.000855 -0.000160 0.013826 32O 2dz2 -0.087249 -0.076024 0.002564 0.121821 -0.016134 0.085950 32O 2dxz 0.104916 0.083646 -0.007099 -0.108715 -0.022903 -0.076782 32O 2dyz -0.172556 -0.146774 0.038380 0.237137 -0.012416 0.161961 32O 2dx2y2 0.016328 0.024000 -0.007582 -0.029453 0.018668 -0.010804 32O 2dxy -0.069361 -0.076180 0.020389 0.091186 0.018628 0.077371 32O 1f0 0.010383 0.003084 -0.001965 -0.012476 -0.001158 -0.003742 32O 1f+1 0.011695 0.020175 0.006584 -0.020311 -0.000284 -0.020493 32O 1f-1 0.021236 0.019411 -0.006039 -0.027243 0.002490 -0.016702 32O 1f+2 -0.014410 -0.009295 -0.009591 0.015464 0.004371 0.015431 32O 1f-2 -0.030725 -0.033336 0.008941 0.035250 0.000922 0.031652 32O 1f+3 0.006687 0.009348 -0.003602 -0.011415 0.000460 0.008381 32O 1f-3 0.028667 -0.001115 0.005502 -0.025887 0.001062 -0.007821 33O 1s 0.013145 0.009798 -0.013967 -0.004618 -0.007426 0.006890 33O 2s 0.037376 0.033031 -0.041036 -0.017683 -0.020966 0.025297 33O 3s -0.147022 -0.221101 0.138865 0.155712 0.042401 -0.168985 33O 4s -0.092628 0.213827 0.192285 -0.190113 0.427793 0.067007 33O 5s -1.177639 -0.831727 0.995195 0.293982 -0.623217 0.108600 33O 1pz -0.001880 0.017284 0.140804 -0.066974 0.058208 -0.091789 33O 1px 0.048048 0.010013 -0.077518 0.005759 -0.064536 0.047285 33O 1py 0.004327 0.032894 0.062749 -0.034203 0.012411 -0.035819 33O 2pz -0.324328 -0.300214 0.102775 0.330915 0.061732 -0.023858 33O 2px 0.227462 0.193422 -0.335465 -0.077625 -0.128171 0.083203 33O 2py -0.067960 -0.182618 -0.084446 0.148406 -0.014673 0.006759 33O 3pz 0.082015 -0.399789 0.140771 0.262266 0.390895 -0.361042 33O 3px 0.337211 0.270940 -0.364077 -0.161429 0.047448 0.081680 33O 3py 0.252504 0.031130 -0.005244 0.206870 0.308699 -0.197556 33O 1dz2 0.029113 0.001132 -0.025201 0.013522 -0.017883 0.002472 33O 1dxz -0.019319 -0.023962 0.056909 0.019218 0.027897 -0.035674 33O 1dyz 0.020424 -0.012948 -0.002596 0.015804 -0.015303 -0.015593 33O 1dx2y2 0.003453 0.021670 -0.007645 -0.008240 -0.002975 0.011475 33O 1dxy -0.015523 -0.016167 0.029021 -0.001807 0.009226 -0.019080 33O 2dz2 -0.107944 0.017389 0.023822 -0.018577 -0.024745 0.051852 33O 2dxz 0.221767 0.115458 -0.216268 -0.045430 -0.120844 0.034123 33O 2dyz -0.060828 0.012534 0.042966 -0.043127 -0.049991 0.042842 33O 2dx2y2 -0.044959 -0.059650 0.142782 0.038204 0.083821 -0.055875 33O 2dxy 0.042224 0.025226 -0.023464 -0.028164 -0.039597 -0.004040 33O 1f0 -0.002544 0.007551 -0.008173 -0.001245 -0.012607 0.010987 33O 1f+1 -0.010692 -0.012312 0.020716 0.020049 0.012835 -0.010899 33O 1f-1 -0.009682 -0.016674 0.058342 0.011648 0.030823 -0.050850 33O 1f+2 -0.012475 0.010998 0.022690 -0.005661 0.015611 -0.008233 33O 1f-2 0.005509 -0.017199 0.011264 0.019447 0.018602 -0.022083 33O 1f+3 -0.017500 -0.022013 0.037002 -0.002193 0.024215 -0.030000 33O 1f-3 -0.008185 -0.011166 0.022990 -0.000528 0.006426 -0.007570 34O 1s -0.010129 -0.005081 -0.001795 -0.013208 -0.007544 -0.007446 34O 2s -0.029786 -0.011413 -0.004221 -0.041870 -0.022311 -0.028211 34O 3s 0.140924 -0.071652 -0.012370 0.188546 0.035737 0.215210 34O 4s -0.078884 0.581897 0.157108 0.266118 0.639405 -0.243928 34O 5s 1.210890 0.609280 0.142650 1.207493 -0.639306 0.493967 34O 1pz 0.012580 0.060407 -0.009348 -0.007491 0.021155 0.039860 34O 1px 0.031922 0.109124 0.009456 0.008187 0.080825 0.083161 34O 1py -0.037772 -0.131882 -0.019931 0.005420 -0.065305 -0.085514 34O 2pz -0.130626 -0.285021 0.004618 -0.014811 -0.138747 -0.091564 34O 2px 0.238202 0.244779 0.112273 0.744049 0.310938 0.088367 34O 2py 0.173707 0.401213 0.085083 -0.168889 0.166251 0.132882 34O 3pz -0.228311 -0.046637 -0.118446 0.078665 0.351300 0.004457 34O 3px 0.193297 0.251175 0.147127 0.768522 0.320309 0.296979 34O 3py 0.225328 0.038450 -0.184717 -0.293823 -0.586551 -0.156303 34O 1dz2 0.011143 0.007701 0.013380 0.016893 0.015806 0.010756 34O 1dxz 0.005419 -0.000425 -0.003287 0.010373 0.002371 0.002727 34O 1dyz 0.006257 0.000493 -0.001958 -0.025289 -0.001605 -0.027740 34O 1dx2y2 -0.012105 -0.017766 0.000351 -0.055484 -0.030358 -0.033259 34O 1dxy -0.004529 0.010463 -0.002228 0.004314 0.013565 -0.000839 34O 2dz2 -0.066055 -0.093555 -0.015448 -0.129844 -0.049266 0.002987 34O 2dxz -0.098794 -0.096373 -0.034709 -0.117026 -0.118166 -0.085953 34O 2dyz 0.001097 -0.013139 0.005967 0.071627 0.090711 0.010693 34O 2dx2y2 0.157175 0.186576 0.084452 0.297480 0.211421 0.056980 34O 2dxy 0.081038 0.095749 0.020367 0.054113 0.148102 0.104407 34O 1f0 0.004285 0.003024 0.004663 -0.009618 -0.010067 -0.009390 34O 1f+1 -0.002093 -0.022383 -0.009562 -0.005967 -0.017565 -0.019444 34O 1f-1 0.015037 0.026564 -0.010266 -0.001025 0.004048 -0.000535 34O 1f+2 0.022895 0.001811 0.002650 -0.032386 -0.029287 -0.025423 34O 1f-2 -0.019262 -0.028598 -0.004950 -0.032102 -0.018707 -0.026620 34O 1f+3 -0.002444 -0.020096 0.003778 -0.006614 -0.021249 -0.010036 34O 1f-3 0.033131 0.035079 0.009205 -0.005660 0.009814 0.006226 35O 1s 0.008735 -0.001584 -0.010504 0.007060 -0.005407 0.005217 35O 2s 0.024721 -0.007742 -0.028302 0.023824 -0.014531 0.016210 35O 3s -0.091937 0.102558 -0.016346 -0.143490 -0.012569 -0.028399 35O 4s -0.085863 -0.223939 0.886313 -0.024232 0.620989 -0.536602 35O 5s -1.040687 -0.054713 1.066262 -0.766148 -0.572552 0.439690 35O 1pz -0.023842 -0.066535 0.071723 0.055817 0.039778 -0.029141 35O 1px -0.019127 -0.022016 0.038641 0.029365 0.059548 -0.009806 35O 1py -0.003774 -0.028890 0.053240 0.053475 0.044452 -0.020025 35O 2pz 0.170003 0.274694 -0.244158 -0.257487 -0.178797 0.090500 35O 2px -0.277346 0.009280 0.811595 -0.403339 0.242425 -0.392936 35O 2py -0.062081 0.096972 0.181669 -0.345287 -0.007169 -0.107470 35O 3pz 0.251486 0.100245 0.227245 -0.220969 0.452896 -0.709235 35O 3px -0.249602 0.111798 0.691509 -0.486203 0.169041 -0.336960 35O 3py 0.001353 0.271996 0.435147 -0.220372 0.332653 -0.529811 35O 1dz2 -0.006343 0.013877 0.037161 -0.019237 0.009142 -0.017497 35O 1dxz -0.007435 -0.000612 -0.002178 -0.001191 -0.003620 0.001688 35O 1dyz 0.009020 0.004449 0.013060 -0.020825 -0.006479 -0.004593 35O 1dx2y2 0.009323 -0.005320 -0.032228 0.019201 -0.012627 0.022101 35O 1dxy 0.002359 0.002911 -0.026376 0.016119 -0.017596 0.020137 35O 2dz2 0.081674 0.008213 -0.231566 0.107854 -0.117487 0.148425 35O 2dxz 0.109246 0.043611 -0.174549 -0.003680 -0.106503 0.140851 35O 2dyz 0.055545 -0.016891 -0.126041 0.044929 -0.115621 0.159450 35O 2dx2y2 -0.124817 -0.022558 0.326029 -0.102517 0.143538 -0.166207 35O 2dxy -0.092194 -0.003975 0.164365 -0.069752 0.025620 -0.013968 35O 1f0 0.020147 0.019627 -0.005334 -0.002842 -0.000802 -0.000582 35O 1f+1 0.001882 -0.002229 -0.010346 -0.003413 -0.017557 0.007527 35O 1f-1 0.025236 0.017174 0.007189 -0.030850 0.006890 -0.021516 35O 1f+2 -0.010888 -0.008551 -0.017339 0.024274 -0.006635 0.015453 35O 1f-2 -0.033570 -0.005986 0.044102 0.006207 0.012217 -0.016701 35O 1f+3 -0.006391 0.001725 -0.003423 0.003545 -0.006073 0.001657 35O 1f-3 0.007042 0.016272 -0.030422 -0.002167 -0.023282 0.013597 588 589 590 591 592 593 4.19727 4.28426 4.39779 4.39989 4.40927 4.41675 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s -0.026432 -0.005432 -0.000496 -0.000242 -0.001055 0.000082 0Rh 2s 0.240232 0.064017 0.004013 0.003477 0.009026 -0.004859 0Rh 3s -0.013827 0.005880 -0.000563 0.000635 -0.000910 -0.002415 0Rh 4s -1.350570 -0.359997 -0.022876 -0.019616 -0.051386 0.027186 0Rh 5s 3.159671 0.901653 0.052995 0.051560 0.120663 -0.080551 0Rh 6s -3.122412 -1.133187 -0.047747 -0.074488 -0.115199 0.154279 0Rh 7s 4.198373 2.481157 0.059102 0.205867 0.181342 -0.613670 0Rh 8s 0.963462 -0.193215 0.043845 0.015521 0.131950 0.086345 0Rh 1pz -0.005124 -0.002029 -0.000795 0.002645 -0.002099 -0.000955 0Rh 1px 0.017418 0.011231 0.000937 0.002775 0.002204 -0.005905 0Rh 1py 0.003582 0.002574 -0.000670 0.000534 0.001017 0.004671 0Rh 2pz 0.020236 0.007386 0.003268 -0.010651 0.008594 0.004101 0Rh 2px -0.068321 -0.042903 -0.003799 -0.010906 -0.008811 0.022993 0Rh 2py -0.013961 -0.009906 0.002828 -0.002121 -0.004191 -0.018878 0Rh 3pz -0.049961 -0.004402 -0.010772 0.029663 -0.027839 -0.016349 0Rh 3px 0.157564 0.073231 0.011213 0.024960 0.023115 -0.047720 0Rh 3py 0.030262 0.018597 -0.011196 0.004925 0.014163 0.053586 0Rh 4pz 0.038713 -0.049820 0.018688 -0.030392 0.047919 0.030862 0Rh 4px -0.073760 0.072333 -0.014352 -0.008601 -0.018604 -0.006337 0Rh 4py -0.006723 0.008805 0.026674 0.000876 -0.026482 -0.056176 0Rh 5pz -0.023834 0.120474 -0.029551 0.009079 -0.077467 -0.032213 0Rh 5px -0.064167 -0.271848 0.014061 -0.024790 0.001757 0.107484 0Rh 5py -0.026037 -0.046947 -0.052862 -0.018174 0.046162 0.014768 0Rh 6pz 0.745827 -0.057388 0.096731 0.080355 0.293257 0.029316 0Rh 6px -1.833871 -0.002526 -0.123153 -0.003347 -0.324798 -0.075993 0Rh 6py -0.479944 -0.022524 0.135068 0.010611 -0.149473 0.129544 0Rh 1dz2 -0.024363 -0.062027 -0.005969 -0.006035 -0.003053 0.014462 0Rh 1dxz 0.035221 -0.098975 0.012227 -0.005729 0.008868 0.028642 0Rh 1dyz -0.061988 -0.010057 0.000744 0.002857 0.005976 0.005411 0Rh 1dx2y2 -0.023207 0.135912 -0.001762 0.013779 0.005568 -0.033603 0Rh 1dxy -0.015865 0.048489 0.003624 0.002006 -0.016772 -0.013044 0Rh 2dz2 -0.004838 -0.009372 -0.001015 -0.000330 -0.000227 0.001478 0Rh 2dxz 0.004062 -0.016039 0.000900 -0.001582 0.001245 0.004017 0Rh 2dyz -0.010812 -0.001306 -0.000182 0.002264 0.000288 0.002131 0Rh 2dx2y2 -0.003085 0.021466 -0.000853 0.001579 0.000749 -0.003364 0Rh 2dxy -0.002804 0.007819 0.000566 0.000416 -0.001340 -0.001831 0Rh 3dz2 0.118813 0.289223 0.028789 0.025788 0.013557 -0.065550 0Rh 3dxz -0.155829 0.467629 -0.053804 0.030579 -0.041784 -0.135127 0Rh 3dyz 0.294193 0.045954 -0.002276 -0.022431 -0.025391 -0.032069 0Rh 3dx2y2 0.103464 -0.639089 0.011029 -0.063217 -0.026017 0.152061 0Rh 3dxy 0.074880 -0.228942 -0.017396 -0.010174 0.074394 0.061433 0Rh 4dz2 -0.199609 -0.457076 -0.046596 -0.036923 -0.021265 0.103158 0Rh 4dxz 0.228525 -0.751301 0.082209 -0.055493 0.068141 0.222188 0Rh 4dyz -0.480319 -0.070407 0.002244 0.052205 0.036239 0.063326 0Rh 4dx2y2 -0.151338 1.021578 -0.021679 0.101384 0.040940 -0.239066 0Rh 4dxy -0.121478 0.367748 0.028571 0.017792 -0.114826 -0.100300 0Rh 5dz2 0.265317 0.491371 0.050542 0.034339 -0.002562 -0.086445 0Rh 5dxz -0.224118 0.838922 -0.063116 0.081532 -0.068533 -0.265109 0Rh 5dyz 0.643034 0.068259 0.033525 -0.081247 -0.048505 -0.092605 0Rh 5dx2y2 0.182815 -1.127979 0.041708 -0.108744 -0.023419 0.229006 0Rh 5dxy 0.187836 -0.413315 -0.008926 0.001826 0.075728 0.127402 0Rh 1f0 -0.019019 -0.004428 0.001807 -0.000142 -0.009341 0.004788 0Rh 1f+1 0.013629 0.008934 -0.002688 -0.001536 0.004913 -0.006908 0Rh 1f-1 0.001516 0.000430 0.010297 0.006899 -0.007251 0.003606 0Rh 1f+2 0.016346 0.008647 -0.005025 -0.002598 -0.010567 0.005808 0Rh 1f-2 0.009333 0.001306 -0.003891 0.000230 -0.002483 0.004361 0Rh 1f+3 0.024642 0.011149 0.002850 0.000885 0.005439 -0.007375 0Rh 1f-3 0.015911 0.008262 0.004414 0.007126 -0.006263 0.000294 1Rh 1s 0.023662 -0.005450 0.000530 0.000090 0.001068 -0.000148 1Rh 2s -0.213692 0.064183 -0.004966 0.000572 -0.009662 -0.002844 1Rh 3s 0.013192 0.005871 0.000196 0.000880 0.000608 -0.002584 1Rh 4s 1.201465 -0.360932 0.028219 -0.003083 0.054946 0.015710 1Rh 5s -2.805776 0.903837 -0.068093 0.012363 -0.131118 -0.053333 1Rh 6s 2.750549 -1.135306 0.073829 -0.035112 0.134858 0.127099 1Rh 7s -3.639743 2.485113 -0.141190 0.141371 -0.256863 -0.567543 1Rh 8s -0.997169 -0.190560 -0.046070 -0.011600 -0.119881 0.109902 1Rh 1pz -0.004688 0.002009 0.000625 -0.002753 -0.002068 0.001345 1Rh 1px 0.016786 -0.011390 0.002125 -0.001831 0.002893 0.005429 1Rh 1py 0.005892 -0.002603 -0.000573 -0.000850 0.000338 -0.004835 1Rh 2pz 0.018453 -0.007314 -0.002455 0.011127 0.008435 -0.005694 1Rh 2px -0.065946 0.043533 -0.008457 0.007131 -0.011492 -0.021099 1Rh 2py -0.023206 0.010018 0.002425 0.003470 -0.001448 0.019549 1Rh 3pz -0.044130 0.004417 0.005338 -0.032035 -0.026678 0.021474 1Rh 3px 0.154368 -0.074793 0.021650 -0.014903 0.028593 0.042904 1Rh 3py 0.055345 -0.018823 -0.009930 -0.010676 0.006424 -0.055762 1Rh 4pz 0.028489 0.048929 0.001273 0.037633 0.044503 -0.039645 1Rh 4px -0.082084 -0.071275 -0.017010 -0.000713 -0.017530 0.009656 1Rh 4py -0.031849 -0.008895 0.025574 0.014309 -0.018395 0.060011 1Rh 5pz -0.003398 -0.117791 -0.021224 -0.026299 -0.072258 0.046608 1Rh 5px -0.038768 0.272088 0.001321 0.028766 -0.011265 -0.106353 1Rh 5py -0.015195 0.047697 -0.053880 -0.013788 0.043716 -0.021474 1Rh 6pz 0.608320 0.044942 0.123732 -0.008633 0.282293 -0.084307 1Rh 6px -1.908615 0.011812 -0.105937 -0.068735 -0.313100 0.133012 1Rh 6py -0.458236 0.023471 0.115994 0.063845 -0.166263 -0.102142 1Rh 1dz2 -0.036257 -0.062395 0.007958 -0.001954 0.004842 0.013491 1Rh 1dxz -0.027056 -0.098057 -0.008085 -0.011892 -0.005138 0.030355 1Rh 1dyz -0.056638 -0.009828 -0.002043 0.002249 -0.005132 0.006429 1Rh 1dx2y2 0.027481 0.136002 -0.004893 0.013085 -0.009691 -0.032243 1Rh 1dxy -0.020774 0.048514 -0.003831 -0.000701 0.015063 -0.015304 1Rh 2dz2 -0.006104 -0.009419 0.001076 0.000254 0.000421 0.001384 1Rh 2dxz -0.003098 -0.015963 -0.000055 -0.001908 -0.000725 0.004219 1Rh 2dyz -0.009909 -0.001298 -0.000867 0.002084 0.000030 0.002183 1Rh 2dx2y2 0.003680 0.021471 0.000031 0.001832 -0.001171 -0.003219 1Rh 2dxy -0.002800 0.007823 -0.000663 0.000019 0.001102 -0.002004 1Rh 3dz2 0.169993 0.290902 -0.037049 0.006620 -0.021707 -0.061154 1Rh 3dxz 0.119315 0.463631 0.033083 0.057121 0.024226 -0.143034 1Rh 3dyz 0.268272 0.045005 0.012545 -0.019025 0.020456 -0.036422 1Rh 3dx2y2 -0.122731 -0.639473 0.019758 -0.061536 0.044698 0.145871 1Rh 3dxy 0.095253 -0.229060 0.018720 0.002708 -0.066367 0.071437 1Rh 4dz2 -0.271138 -0.459603 0.058055 -0.006639 0.034164 0.096270 1Rh 4dxz -0.173099 -0.745416 -0.046510 -0.095109 -0.039359 0.234858 1Rh 4dyz -0.435163 -0.069078 -0.026145 0.045295 -0.026580 0.069657 1Rh 4dx2y2 0.178880 1.022073 -0.028016 0.100768 -0.070319 -0.229458 1Rh 4dxy -0.151257 0.367910 -0.031324 -0.003251 0.101791 -0.115715 1Rh 5dz2 0.357394 0.492731 -0.061120 0.002301 -0.008708 -0.083818 1Rh 5dxz 0.168931 0.834427 0.018146 0.107576 0.034610 -0.276417 1Rh 5dyz 0.570225 0.067298 0.008762 -0.091100 0.034667 -0.099622 1Rh 5dx2y2 -0.200262 -1.127277 0.013783 -0.118455 0.052195 0.223378 1Rh 5dxy 0.166505 -0.413015 0.005766 0.007735 -0.059659 0.137328 1Rh 1f0 -0.014110 0.004358 0.001222 0.001294 -0.009784 -0.003205 1Rh 1f+1 0.016338 -0.009160 -0.003183 -0.000111 0.005782 0.006144 1Rh 1f-1 0.004952 -0.000691 0.011935 0.000098 -0.007839 -0.002960 1Rh 1f+2 0.015770 -0.008285 -0.005690 -0.000395 -0.011123 -0.003685 1Rh 1f-2 0.002177 -0.001169 -0.003282 -0.002352 -0.002985 -0.003702 1Rh 1f+3 0.024844 -0.011332 0.002943 0.000755 0.006218 0.006175 1Rh 1f-3 0.022647 -0.008332 0.007118 -0.003546 -0.006229 0.000524 2C 1s -0.003745 0.004468 -0.001016 0.001395 0.000628 -0.001516 2C 2s -0.009943 0.011203 -0.001368 0.004546 0.001125 -0.003280 2C 3s 0.047473 -0.056273 0.040964 -0.024129 0.009283 0.004787 2C 4s 0.125063 -0.084224 -0.210381 -0.056918 -0.056263 0.016957 2C 5s 0.484551 0.110812 0.028074 0.083632 0.393054 -0.296351 2C 1pz 0.037372 -0.031024 0.004257 -0.023779 0.000477 0.009693 2C 1px 0.014196 -0.011972 0.004561 -0.007076 0.000203 0.003939 2C 1py 0.023379 -0.030371 0.008298 -0.006748 -0.007791 0.005552 2C 2pz -0.189006 0.475293 -1.077447 -1.212158 -0.226417 0.271900 2C 2px -0.327676 0.287223 -0.180394 -0.287053 -0.266860 -0.073410 2C 2py -0.160190 -0.060597 0.846410 1.777234 0.361222 -0.700003 2C 3pz 0.160849 -0.127283 0.177195 0.215282 0.124073 -0.117168 2C 3px 0.020511 0.088832 0.023633 0.102809 0.064629 -0.044247 2C 3py 0.068952 -0.023041 -0.148570 -0.272621 0.000426 0.093757 2C 1dz2 -0.035104 0.028391 0.083713 0.191955 0.029433 -0.086120 2C 1dxz 0.060367 -0.096748 0.123948 0.252255 0.083451 -0.055195 2C 1dyz -0.027313 0.099045 -0.081819 -0.092485 -0.039861 -0.014922 2C 1dx2y2 -0.003303 -0.052948 0.188691 0.272530 0.034046 -0.094131 2C 1dxy 0.038019 0.053559 -0.253799 -0.415336 -0.068351 0.141290 2C 2dz2 -0.057245 -0.020552 0.200280 0.449046 0.046584 -0.184618 2C 2dxz 0.004498 -0.094778 0.440840 0.851398 0.227669 -0.260903 2C 2dyz -0.227059 0.196551 -0.213587 -0.165230 -0.075584 -0.029581 2C 2dx2y2 -0.092613 -0.065018 0.433233 0.667334 0.033382 -0.243001 2C 2dxy -0.075111 0.242244 -0.679127 -1.038095 -0.180292 0.336730 2C 1f0 -0.006166 -0.137935 0.466087 0.729762 0.083320 -0.251461 2C 1f+1 -0.010040 -0.039497 -0.166305 -0.308326 -0.064902 0.100046 2C 1f-1 -0.032205 0.096064 -0.062815 -0.045618 -0.002318 0.016664 2C 1f+2 0.012336 0.001992 0.078363 0.199113 0.065423 -0.063428 2C 1f-2 0.038806 -0.166948 0.175090 0.258274 0.071777 -0.027791 2C 1f+3 -0.063675 0.017010 0.168308 0.358541 0.071048 -0.144233 2C 1f-3 -0.029493 0.034600 -0.121485 -0.241433 -0.077314 0.045214 3C 1s 0.002866 0.002620 0.000205 -0.000715 -0.000821 -0.001631 3C 2s 0.008632 0.006553 0.000498 -0.002682 -0.000245 -0.005459 3C 3s -0.080866 -0.024023 -0.009528 0.027250 0.050646 0.037315 3C 4s 0.008354 -0.107103 0.015663 0.001420 -0.305922 -0.010593 3C 5s 0.109009 -0.081089 -0.228963 0.109344 0.161282 -0.022266 3C 1pz -0.030389 -0.014287 0.001331 0.007137 -0.000379 0.011164 3C 1px -0.026036 -0.009071 -0.002142 0.001307 0.002196 0.009745 3C 1py 0.056401 0.006912 0.005260 -0.011467 -0.002910 -0.023645 3C 2pz 0.078456 -0.276042 -0.088710 -0.509761 0.888824 -1.177757 3C 2px -0.209133 0.143915 -0.197834 -0.274059 0.506156 -0.945329 3C 2py -0.315126 -0.368284 -0.200584 -0.523231 1.484158 -0.999779 3C 3pz 0.024270 -0.084011 -0.017668 0.075519 -0.133221 0.227856 3C 3px -0.054657 0.020255 -0.003380 0.016216 -0.071160 0.074529 3C 3py 0.013870 0.120243 0.072258 0.067800 -0.275620 0.196279 3C 1dz2 -0.002641 -0.011507 -0.012682 -0.029092 0.067316 -0.071034 3C 1dxz 0.070954 0.031634 0.061545 0.130451 -0.299939 0.329902 3C 1dyz 0.014034 -0.157308 -0.011052 -0.111506 0.244136 -0.163137 3C 1dx2y2 0.044173 0.037722 0.034313 0.126063 -0.227104 0.308380 3C 1dxy -0.008317 0.032520 -0.001480 0.024253 -0.040253 0.053512 3C 2dz2 -0.080756 -0.059178 -0.056396 -0.087944 0.229123 -0.173250 3C 2dxz 0.182432 0.071200 0.148218 0.293137 -0.671941 0.760661 3C 2dyz -0.102477 -0.244540 -0.035744 -0.259940 0.721607 -0.499859 3C 2dx2y2 -0.043377 0.192000 0.066614 0.329572 -0.678915 0.810337 3C 2dxy -0.018559 0.040755 0.020204 0.162254 -0.284028 0.417554 3C 1f0 -0.059269 0.036751 0.033696 0.185219 -0.356962 0.447127 3C 1f+1 -0.055317 0.031545 -0.026550 0.040309 -0.076175 0.070339 3C 1f-1 -0.108523 -0.205887 -0.049612 -0.209953 0.486756 -0.447150 3C 1f+2 -0.054074 0.020795 0.006335 0.045011 -0.087429 0.060892 3C 1f-2 0.049144 0.029967 0.003183 -0.026461 0.042653 -0.083950 3C 1f+3 0.036875 0.037338 0.066686 0.172068 -0.364873 0.409574 3C 1f-3 0.040469 -0.015425 0.051742 0.057987 -0.126721 0.207678 4C 1s -0.005914 0.012153 -0.005713 -0.001133 -0.000470 -0.000580 4C 2s -0.012561 0.027008 -0.009509 -0.000430 0.000051 -0.001047 4C 3s 0.138993 -0.113439 -0.353477 -0.305738 -0.111256 0.052089 4C 4s -0.089840 -0.131482 1.887524 1.347903 0.537954 -0.179022 4C 5s -0.453864 0.476709 0.032756 -0.071349 -0.000859 -0.069985 4C 1pz 0.018025 -0.071729 0.027873 -0.007872 -0.004199 0.019293 4C 1px -0.051704 -0.019895 0.009950 0.002506 -0.009740 -0.001274 4C 1py -0.006295 -0.050708 0.021342 -0.000016 0.003860 0.006007 4C 2pz -0.096822 0.512945 -0.169107 0.036558 0.210744 -0.027527 4C 2px -0.643290 -0.197943 0.486975 0.432229 -0.423123 -0.482727 4C 2py -0.298861 0.165253 0.282255 0.509250 -0.027846 -0.288591 4C 3pz 0.628712 0.291824 0.143855 0.055895 0.379237 -0.253967 4C 3px -0.141704 0.057105 0.008680 0.021336 0.056876 -0.046747 4C 3py 0.324107 0.189614 0.203636 0.155847 0.220210 -0.265950 4C 1dz2 0.083677 -0.036765 0.052104 0.094392 0.045920 -0.018853 4C 1dxz -0.073522 -0.072327 0.013708 0.036437 -0.004766 -0.020282 4C 1dyz 0.054522 -0.067108 -0.013532 -0.061815 -0.014043 0.039936 4C 1dx2y2 -0.011542 -0.041668 0.152481 0.169981 0.024095 -0.046726 4C 1dxy -0.045779 -0.067536 0.019353 -0.022154 -0.017246 0.002586 4C 2dz2 0.098998 0.108451 -0.008846 0.075116 0.065920 0.063299 4C 2dxz -0.175634 0.143518 0.029178 0.075736 -0.209757 -0.155330 4C 2dyz -0.026595 0.103164 0.106596 -0.011343 0.046069 0.033364 4C 2dx2y2 -0.042389 -0.208724 0.218620 0.173144 0.070646 -0.057042 4C 2dxy -0.187262 -0.081406 0.412081 0.437639 -0.037493 -0.217883 4C 1f0 0.036324 -0.031223 -0.192796 -0.311063 -0.043755 0.116772 4C 1f+1 0.049886 0.038050 -0.144505 -0.195803 -0.058028 0.026562 4C 1f-1 -0.001479 0.074503 -0.114774 -0.101905 0.006700 0.028152 4C 1f+2 -0.026257 0.107802 -0.036820 -0.085054 0.027701 0.043032 4C 1f-2 -0.059405 0.092593 0.038867 0.079981 -0.036778 -0.080070 4C 1f+3 0.000567 0.066106 0.064007 0.126692 0.032372 -0.046133 4C 1f-3 0.083166 -0.043285 -0.058363 -0.035249 0.006364 0.026634 5C 1s 0.006011 0.010656 0.000724 0.000435 -0.008396 0.000878 5C 2s 0.014125 0.023895 0.000740 -0.000587 -0.013442 0.000145 5C 3s -0.267838 -0.029207 0.086850 0.167198 -0.608301 0.317828 5C 4s 0.658827 -0.361881 -0.493037 -0.719917 3.131294 -1.370467 5C 5s 0.292308 0.467852 -0.135410 -0.030762 -0.079883 0.026854 5C 1pz 0.011989 -0.037933 -0.003736 -0.000157 0.022870 0.008522 5C 1px -0.065088 -0.021825 -0.003516 -0.012965 0.014578 -0.005968 5C 1py -0.003374 0.063019 -0.001546 0.002463 -0.036774 -0.018297 5C 2pz 0.452086 0.032060 0.044654 0.158561 0.134957 -0.009710 5C 2px -0.476019 0.051006 -0.251449 -0.938792 0.675894 -1.534829 5C 2py -0.538873 -0.185843 0.011766 -0.113493 -0.016273 0.094462 5C 3pz 0.001480 0.135170 -0.167579 0.028362 0.287506 -0.134970 5C 3px -0.213071 0.089544 -0.108166 -0.012388 0.168658 -0.157752 5C 3py 0.121264 -0.232967 0.302065 0.007695 -0.291738 0.062293 5C 1dz2 0.056764 0.078556 0.014420 0.065116 -0.158899 0.115896 5C 1dxz -0.068548 0.017511 0.022374 0.022771 -0.159003 0.106408 5C 1dyz 0.003235 0.035835 -0.001698 -0.041289 0.000219 -0.074435 5C 1dx2y2 0.000734 0.006590 0.014996 -0.012537 0.018935 -0.011633 5C 1dxy 0.147363 0.049529 0.005262 0.050285 0.009546 0.026711 5C 2dz2 -0.015378 0.136257 0.092213 0.250994 -0.538792 0.492707 5C 2dxz -0.143780 0.190159 -0.038866 -0.141208 -0.020366 -0.223921 5C 2dyz -0.228906 0.014715 0.011584 -0.051063 -0.271205 -0.088341 5C 2dx2y2 -0.060792 -0.210748 -0.126817 -0.207174 0.352204 -0.344567 5C 2dxy 0.137002 -0.195764 0.048995 0.251386 -0.142168 0.380485 5C 1f0 -0.101465 -0.034357 0.006560 -0.006805 -0.044148 0.042166 5C 1f+1 -0.068427 -0.035275 0.012425 0.038832 -0.051344 0.046547 5C 1f-1 0.020805 0.076804 -0.007070 0.028335 -0.119299 0.084443 5C 1f+2 0.011408 -0.016352 -0.029373 -0.053539 0.149118 -0.130829 5C 1f-2 0.106752 -0.016999 0.028457 0.081029 -0.015893 0.168692 5C 1f+3 -0.041087 0.097605 0.014573 0.076974 -0.186151 0.091568 5C 1f-3 0.117868 -0.002003 -0.041476 -0.144676 0.330327 -0.347120 6C 1s 0.008517 0.010658 -0.000818 -0.000048 0.008427 -0.000652 6C 2s 0.019097 0.023911 -0.000372 -0.000975 0.013362 -0.002241 6C 3s -0.218359 -0.033882 -0.149741 0.096540 0.642559 0.204342 6C 4s 0.305678 -0.344444 0.748132 -0.351674 -3.274225 -0.788219 6C 5s 0.405210 0.467005 0.134739 0.043246 0.084262 0.015707 6C 1pz 0.014394 0.037992 -0.003147 -0.002137 0.021485 -0.012633 6C 1px -0.066788 0.021911 -0.009292 0.008867 0.014926 0.003344 6C 1py -0.002634 -0.062796 -0.000132 -0.002681 -0.033586 0.025363 6C 2pz 0.180811 -0.038193 0.114112 -0.103558 0.151048 -0.013186 6C 2px -0.816581 -0.055548 -0.653869 0.655875 0.842006 1.429905 6C 2py 0.018122 0.192848 -0.044057 0.099480 -0.035494 -0.091633 6C 3pz 0.334607 -0.138977 -0.129152 -0.107811 0.302682 0.086554 6C 3px -0.054401 -0.090582 -0.097519 -0.044085 0.185890 0.128498 6C 3py -0.419303 0.236317 0.265367 0.150284 -0.293204 -0.013447 6C 1dz2 0.000116 0.078072 -0.042492 0.047901 0.173948 0.089605 6C 1dxz 0.021371 0.016147 -0.029048 0.007885 0.174701 0.080975 6C 1dyz 0.112849 0.035854 0.021054 -0.034764 -0.010710 -0.076573 6C 1dx2y2 0.105064 0.007791 -0.006659 -0.017559 -0.017231 -0.005316 6C 1dxy -0.040745 0.051231 -0.028891 0.040514 -0.007172 0.028771 6C 2dz2 -0.144593 0.132836 -0.194465 0.166080 0.599232 0.400563 6C 2dxz 0.223097 0.189499 0.099441 -0.096973 -0.006233 -0.234981 6C 2dyz -0.019000 0.013404 0.015455 -0.049171 0.257888 -0.143681 6C 2dx2y2 0.053478 -0.209447 0.205094 -0.106639 -0.387373 -0.284435 6C 2dxy -0.347526 -0.198375 -0.159034 0.181749 0.178833 0.356514 6C 1f0 0.011387 0.035905 0.001739 0.008259 -0.051164 -0.034994 6C 1f+1 0.072515 0.036972 0.028250 -0.024736 -0.052563 -0.035068 6C 1f-1 -0.049268 -0.076579 0.006801 -0.030431 -0.135272 -0.066586 6C 1f+2 0.019063 0.015150 -0.049039 0.029762 0.164900 0.105459 6C 1f-2 0.026895 0.016303 0.062683 -0.053672 -0.038358 -0.171592 6C 1f+3 0.052484 -0.096694 0.047828 -0.058912 -0.197553 -0.058726 6C 1f-3 -0.078700 -0.002571 -0.100718 0.101802 0.374041 0.291020 7C 1s -0.007823 0.012100 0.005435 0.002351 0.000339 -0.000932 7C 2s -0.017700 0.026934 0.008422 0.005130 -0.000249 -0.001462 7C 3s 0.354176 -0.124931 0.439788 -0.055304 0.110023 0.013179 7C 4s -0.768979 -0.081949 -2.224251 0.051373 -0.524184 0.014810 7C 5s -0.062114 0.472556 0.005079 -0.085385 -0.007203 -0.067857 7C 1pz 0.029726 0.071478 0.020212 0.023487 -0.006838 -0.019993 7C 1px -0.058040 0.019842 0.009552 0.003695 -0.009510 0.002372 7C 1py -0.002342 0.050674 0.018756 0.012633 0.002868 -0.007846 7C 2pz 0.877830 -0.528412 -0.138743 -0.125705 0.211548 0.001777 7C 2px -0.520605 0.194791 0.601700 -0.083133 -0.366708 0.512719 7C 2py 0.302520 -0.180415 0.484323 -0.285442 0.005668 0.279699 7C 3pz 0.011781 -0.306091 0.139742 0.038261 0.408711 0.184128 7C 3px -0.258350 -0.060426 0.013250 -0.009912 0.059480 0.035540 7C 3py -0.093590 -0.199134 0.248870 -0.021175 0.254117 0.223298 7C 1dz2 0.036742 -0.035318 -0.096076 0.057702 -0.048258 -0.011735 7C 1dxz 0.191904 -0.074706 -0.034329 0.027695 0.001333 -0.021515 7C 1dyz 0.113784 -0.069420 0.042194 -0.047754 0.018662 0.037318 7C 1dx2y2 -0.054557 -0.036537 -0.216368 0.064116 -0.028730 -0.036711 7C 1dxy 0.099594 -0.068289 -0.004527 -0.032589 0.018122 0.001739 7C 2dz2 -0.110961 0.106235 -0.040761 0.077428 -0.058317 0.069210 7C 2dxz 0.173440 0.143140 -0.054818 0.046225 0.189160 -0.183810 7C 2dyz -0.212840 0.107616 -0.075675 -0.079696 -0.037442 0.050425 7C 2dx2y2 -0.105440 -0.202991 -0.263000 0.018569 -0.073073 -0.033045 7C 2dxy 0.000078 -0.072305 -0.562345 0.146278 0.013621 -0.202279 7C 1f0 -0.125721 0.038925 -0.318389 0.164762 -0.056373 -0.102118 7C 1f+1 -0.130778 -0.032834 -0.222395 0.091191 -0.059616 -0.011982 7C 1f-1 0.027240 -0.073249 -0.150179 0.024549 0.003863 -0.024145 7C 1f+2 0.220929 -0.110477 -0.084828 0.061687 0.020042 -0.049624 7C 1f-2 0.060018 -0.095659 0.066359 -0.045295 -0.027418 0.082332 7C 1f+3 0.087515 -0.070573 0.117613 -0.076703 0.037723 0.039126 7C 1f-3 -0.149317 0.047761 -0.057393 -0.008325 0.005077 -0.021512 8C 1s 0.004242 0.002696 0.000140 -0.000717 0.000598 -0.001838 8C 2s 0.011302 0.006755 0.000770 -0.002556 -0.000458 -0.005601 8C 3s -0.021723 -0.025252 -0.004153 0.029313 -0.045305 0.046594 8C 4s -0.390926 -0.108169 -0.013278 -0.012399 0.299661 -0.066197 8C 5s -0.314165 -0.072802 0.144154 0.211062 -0.163764 -0.005568 8C 1pz 0.023134 0.014633 0.004286 -0.005198 -0.001512 -0.011181 8C 1px 0.017073 0.009512 -0.001481 -0.002250 0.000995 -0.010265 8C 1py -0.041251 -0.008069 -0.000552 0.012900 0.000569 0.024636 8C 2pz 0.157199 0.274320 -0.311871 0.401101 1.074278 1.058772 8C 2px -0.403267 -0.149388 -0.290255 0.123676 0.629958 0.878735 8C 2py 0.080354 0.369619 -0.410312 0.341984 1.619106 0.751768 8C 3pz 0.045240 0.083595 0.018320 -0.075972 -0.168143 -0.208691 8C 3px 0.018466 -0.022881 0.003954 -0.013600 -0.082025 -0.063221 8C 3py -0.149893 -0.119091 0.091615 -0.021666 -0.302342 -0.152081 8C 1dz2 0.018693 -0.011183 0.023021 -0.017940 -0.074768 -0.058450 8C 1dxz -0.064243 0.031970 -0.113263 0.080178 0.350252 0.287908 8C 1dyz -0.070751 -0.156839 0.059949 -0.091113 -0.266521 -0.121099 8C 1dx2y2 -0.017972 0.036395 -0.086313 0.090607 0.270055 0.274322 8C 1dxy 0.051443 0.034250 -0.010875 0.023752 0.053532 0.051425 8C 2dz2 -0.050409 -0.061567 0.086911 -0.043677 -0.247826 -0.131766 8C 2dxz -0.118736 0.073787 -0.263065 0.176327 0.790835 0.669830 8C 2dyz -0.223140 -0.243718 0.147676 -0.207547 -0.787612 -0.372698 8C 2dx2y2 0.043402 0.188381 -0.205038 0.250250 0.789430 0.701975 8C 2dxy -0.086549 0.040096 -0.092872 0.134099 0.353838 0.382995 8C 1f0 0.063066 -0.034116 0.112533 -0.143202 -0.420827 -0.393030 8C 1f+1 -0.037760 -0.030203 -0.005515 -0.049609 -0.083986 -0.052775 8C 1f-1 0.069548 0.205845 -0.139230 0.157779 0.554849 0.373014 8C 1f+2 -0.039897 -0.018292 0.024318 -0.033881 -0.088452 -0.040157 8C 1f-2 0.018834 -0.033988 -0.007831 0.023457 0.049740 0.075708 8C 1f+3 -0.000463 -0.037369 0.134991 -0.112991 -0.422268 -0.353023 8C 1f-3 0.066482 0.014824 0.072509 -0.022715 -0.160884 -0.195870 9C 1s -0.005603 0.004608 0.000258 0.001841 -0.000794 -0.001467 9C 2s -0.016640 0.011560 -0.000806 0.004768 -0.001463 -0.003133 9C 3s 0.155458 -0.057634 -0.025981 -0.043571 -0.008165 0.007541 9C 4s -0.040778 -0.088653 0.210913 0.069279 0.052871 -0.001754 9C 5s -0.510018 0.133455 -0.061070 0.064540 -0.431963 -0.236166 9C 1pz -0.103366 0.032608 -0.007361 0.023328 -0.000774 -0.009964 9C 1px -0.028922 0.012470 0.000530 0.009003 -0.000342 -0.004297 9C 1py -0.073751 0.031477 0.005217 0.010424 -0.008198 -0.004355 9C 2pz 0.519665 -0.465377 -1.550470 0.465510 -0.252039 -0.195395 9C 2px -0.154776 -0.290571 -0.334681 0.171043 -0.259732 0.114153 9C 2py 0.103828 0.035083 1.647903 -1.123391 0.444704 0.625773 9C 3pz 0.059958 0.122890 0.261707 -0.091135 0.137548 0.091391 9C 3px -0.021911 -0.091872 0.073952 -0.081325 0.071213 0.034621 9C 3py 0.059347 0.019639 -0.271764 0.161148 -0.010033 -0.090035 9C 1dz2 0.027680 0.031437 -0.169769 0.124379 -0.039451 -0.079296 9C 1dxz -0.005097 -0.095673 -0.242892 0.159969 -0.090660 -0.040134 9C 1dyz 0.029985 0.096316 0.109091 -0.030309 0.034762 -0.026751 9C 1dx2y2 0.053242 -0.051891 -0.315907 0.143451 -0.048084 -0.085817 9C 1dxy -0.030349 0.047324 0.426285 -0.225261 0.084339 0.120696 9C 2dz2 -0.126732 -0.015351 -0.399078 0.286940 -0.067505 -0.171929 9C 2dxz -0.111332 -0.084677 -0.820469 0.516035 -0.258937 -0.212401 9C 2dyz -0.186351 0.195495 0.248901 -0.011284 0.064476 -0.056492 9C 2dx2y2 0.189418 -0.065743 -0.753128 0.370891 -0.071227 -0.233767 9C 2dxy -0.166461 0.233624 1.107882 -0.538498 0.218451 0.281474 9C 1f0 -0.091107 0.131354 0.785763 -0.393699 0.115497 0.225897 9C 1f+1 -0.095380 0.046693 -0.288961 0.176495 -0.075217 -0.081080 9C 1f-1 0.206882 -0.099654 -0.084854 0.008624 -0.005859 -0.015039 9C 1f+2 0.038390 -0.009833 0.163630 -0.133065 0.070920 0.052129 9C 1f-2 -0.084769 0.165236 0.284495 -0.132252 0.074864 0.010947 9C 1f+3 0.045446 -0.018797 0.339990 -0.233342 0.091411 0.130234 9C 1f-3 -0.049638 -0.032991 -0.218176 0.140041 -0.079224 -0.024778 10H 1s 0.014974 0.055800 -0.063018 0.005996 0.064223 0.009022 10H 2s 0.144224 -0.002033 -0.115576 -0.001666 0.168243 0.046403 10H 3s -0.054232 -0.129913 0.056957 -0.027123 -0.067500 0.025188 10H 1pz 0.028244 -0.020827 -0.097994 -0.121251 0.017313 0.050405 10H 1px -0.033247 -0.041471 0.054864 -0.027309 -0.069511 -0.005884 10H 1py 0.012319 -0.058136 0.081564 0.136046 0.037533 -0.040034 11H 1s -0.054751 0.181978 -0.429135 -0.683416 -0.149207 0.173998 11H 2s -0.253108 0.512869 -1.076720 -1.715715 -0.421970 0.459025 11H 3s 0.082124 -0.074369 0.279029 0.445484 0.106587 -0.129504 11H 1pz -0.070114 0.189906 -0.313693 -0.486454 -0.112359 0.122816 11H 1px -0.082496 0.146266 -0.301317 -0.483157 -0.127730 0.115811 11H 1py 0.023746 -0.096450 0.290115 0.474468 0.100320 -0.131429 12H 1s -0.048906 -0.038126 0.378102 0.664879 0.094424 -0.261653 12H 2s -0.245457 -0.047690 0.962451 1.691687 0.245607 -0.669392 12H 3s 0.045495 0.021263 -0.213727 -0.389171 -0.083617 0.181378 12H 1pz 0.008049 0.043158 -0.131067 -0.225801 -0.028329 0.082458 12H 1px -0.061616 -0.003298 0.142451 0.253745 0.022937 -0.112562 12H 1py -0.085745 -0.012957 0.416076 0.742143 0.119744 -0.293083 13H 1s 0.091613 -0.013728 0.051878 0.012471 -0.040353 0.044223 13H 2s 0.227569 -0.107326 0.112594 -0.018541 -0.052437 0.107508 13H 3s -0.073066 -0.058069 -0.009928 -0.004279 0.039194 0.011468 13H 1pz 0.048990 -0.061926 0.022694 -0.043640 0.059701 -0.056917 13H 1px -0.094851 -0.005702 -0.050014 -0.027435 0.102786 -0.096314 13H 1py -0.022743 0.025395 -0.028790 -0.041820 0.108063 -0.128472 14H 1s -0.030123 -0.048852 -0.084016 -0.218734 0.458661 -0.579244 14H 2s -0.271044 -0.055501 -0.227230 -0.558178 1.174653 -1.483868 14H 3s 0.006314 0.013752 0.050758 0.093391 -0.254451 0.320909 14H 1pz -0.038916 -0.024768 -0.052199 -0.150530 0.326644 -0.391534 14H 1px -0.094559 -0.017220 -0.091045 -0.209761 0.429151 -0.568469 14H 1py -0.023846 -0.032013 -0.019169 -0.064856 0.129175 -0.154759 15H 1s 0.064229 0.189144 0.055507 0.260418 -0.575346 0.529144 15H 2s 0.062689 0.527763 0.140489 0.628397 -1.447695 1.321164 15H 3s -0.082125 -0.050326 -0.026716 -0.176954 0.386984 -0.384587 15H 1pz -0.003802 -0.152249 -0.044020 -0.220381 0.489308 -0.457138 15H 1px -0.004151 0.044195 -0.003150 0.025415 -0.063138 0.033033 15H 1py -0.062806 -0.207086 -0.054303 -0.220037 0.490759 -0.443026 16H 1s 0.010581 0.030608 0.007307 0.000575 0.003369 0.003883 16H 2s 0.369193 -0.013832 0.001875 -0.042110 0.009189 -0.013360 16H 3s -0.040102 -0.016792 0.001362 -0.010459 -0.001604 0.019083 16H 1pz 0.129701 0.026789 0.001663 -0.015314 0.006878 -0.000045 16H 1px -0.065811 0.041058 -0.003282 0.010921 -0.008414 -0.015172 16H 1py 0.043256 0.011007 0.001732 -0.005398 0.011967 -0.000327 17H 1s -0.129152 0.058470 -0.009510 0.003295 -0.000881 -0.025637 17H 2s 0.103888 0.043240 -0.003463 0.010519 -0.053919 -0.026225 17H 3s -0.036482 -0.004062 -0.005075 -0.007418 -0.004995 -0.012722 17H 1pz 0.042157 -0.059007 0.001676 -0.005370 0.006199 0.021349 17H 1px 0.005684 -0.016218 0.002533 0.002445 0.009181 0.019629 17H 1py -0.059332 0.039636 -0.004589 0.005085 -0.002377 -0.013276 18H 1s 0.024022 0.057793 0.006583 0.008727 -0.002245 -0.025966 18H 2s -0.268174 0.040542 0.000079 0.010203 0.049922 -0.031984 18H 3s 0.043744 -0.003520 0.008100 -0.004238 0.003143 -0.013779 18H 1pz -0.023425 0.059449 -0.000692 0.005788 0.003576 -0.021990 18H 1px -0.089375 0.015323 0.003998 -0.000650 0.006615 -0.020314 18H 1py 0.025383 -0.037404 -0.001778 -0.007111 -0.000526 0.012689 19H 1s 0.100638 0.031211 -0.006793 -0.003814 -0.002753 0.004337 19H 2s -0.125475 -0.013643 0.017491 -0.038152 -0.009854 -0.009273 19H 3s 0.034255 -0.016636 0.003870 -0.009784 0.003805 0.017931 19H 1pz -0.023658 -0.026989 -0.005219 0.014373 0.006318 -0.001528 19H 1px -0.038071 -0.040494 0.002127 -0.011534 -0.006360 0.016473 19H 1py -0.034996 -0.012390 -0.000964 0.006002 0.011864 -0.001626 20H 1s 0.083171 0.188624 -0.166715 0.197313 0.651441 0.437159 20H 2s 0.307778 0.526999 -0.406679 0.473384 1.639313 1.090163 20H 3s -0.101491 -0.050922 0.102882 -0.139976 -0.441066 -0.320932 20H 1pz 0.065514 0.151517 -0.138492 0.168891 0.556243 0.379633 20H 1px -0.057810 -0.045834 0.010348 -0.025890 -0.073776 -0.025527 20H 1py 0.112257 0.206975 -0.146669 0.162261 0.553727 0.364356 21H 1s 0.071443 -0.047704 0.171800 -0.144310 -0.542941 -0.513988 21H 2s 0.311964 -0.053123 0.448879 -0.360808 -1.389782 -1.316965 21H 3s -0.068842 0.014054 -0.084983 0.053435 0.303108 0.286720 21H 1pz -0.051489 0.023656 -0.114540 0.103444 0.387142 0.347437 21H 1px -0.128869 0.016129 -0.172847 0.131587 0.509547 0.506869 21H 1py 0.002273 0.032433 -0.046585 0.046371 0.153149 0.137074 22H 1s -0.042846 -0.012014 -0.050282 -0.018940 0.044346 0.039008 22H 2s -0.260971 -0.106886 -0.086715 -0.081330 0.064120 0.104655 22H 3s 0.052565 -0.060149 0.010951 0.004044 -0.036912 0.018753 22H 1pz 0.064292 0.061796 -0.001279 0.051533 0.070341 0.047805 22H 1px -0.066723 0.006425 -0.055156 -0.005124 0.113989 0.080440 22H 1py -0.035405 -0.026395 -0.043587 0.020095 0.125778 0.112416 23H 1s 0.004477 -0.030836 -0.671965 0.385278 -0.127054 -0.236833 23H 2s 0.244687 -0.028688 -1.709165 0.978436 -0.327263 -0.605908 23H 3s 0.037991 0.018179 0.389497 -0.231024 0.106039 0.163939 23H 1pz 0.056302 -0.042600 -0.234371 0.130986 -0.039138 -0.075817 23H 1px -0.051458 0.000393 0.245531 -0.142698 0.035198 0.102090 23H 1py -0.054758 0.003488 0.747499 -0.434663 0.156045 0.264792 24H 1s -0.079778 0.175777 0.722682 -0.368773 0.168677 0.136778 24H 2s -0.028377 0.497394 1.815231 -0.927719 0.474312 0.358509 24H 3s 0.116123 -0.072745 -0.468391 0.238911 -0.120638 -0.102667 24H 1pz 0.076091 -0.185469 -0.520567 0.257465 -0.125692 -0.095049 24H 1px 0.001765 -0.143850 -0.518880 0.266770 -0.142809 -0.087971 24H 1py 0.008820 0.089736 0.487192 -0.256587 0.113359 0.105146 25H 1s -0.153500 0.058515 0.051781 0.042920 -0.062426 0.016017 25H 2s -0.283608 -0.000926 0.101074 0.066345 -0.159614 0.068293 25H 3s 0.131495 -0.133274 -0.037123 -0.058693 0.070903 0.017365 25H 1pz 0.043205 0.022630 -0.145881 0.051480 0.011130 -0.049556 25H 1px -0.143041 0.042859 0.030786 0.058769 -0.068356 0.013210 25H 1py -0.018203 0.057982 0.141926 -0.076000 0.041336 0.031965 26O 1s -0.000421 0.010565 -0.004732 -0.000802 0.002684 0.001209 26O 2s 0.001990 0.037536 -0.020028 -0.005769 0.009998 0.006173 26O 3s -0.109537 -0.357913 0.274351 0.141340 -0.097779 -0.097806 26O 4s 0.694946 0.987782 -0.850685 -0.593806 0.234748 0.307264 26O 5s -0.696212 -1.418484 -0.579160 -0.589645 -0.150055 0.661223 26O 1pz 0.034497 0.084799 -0.021672 -0.002751 -0.002330 -0.017316 26O 1px 0.039808 0.065993 -0.083055 -0.052169 0.024624 0.037180 26O 1py 0.032912 0.076128 -0.021474 0.016590 0.019540 -0.002076 26O 2pz -0.050917 -0.307996 0.090147 0.015054 0.020438 0.061046 26O 2px -0.348146 -0.222518 0.582780 0.490470 -0.095021 -0.276010 26O 2py -0.159251 -0.258272 0.182333 0.052610 -0.068785 -0.034133 26O 3pz -0.687870 -0.503829 -0.027853 -0.044200 -0.059806 0.140825 26O 3px -0.213285 0.103419 0.257959 0.259986 0.066148 -0.128289 26O 3py -0.473239 -0.261526 0.030847 0.042226 0.070619 0.046489 26O 1dz2 -0.003517 -0.005192 -0.003464 -0.004113 -0.009202 0.003053 26O 1dxz 0.001725 -0.001102 -0.003537 -0.005250 0.003585 0.007986 26O 1dyz -0.012682 0.000504 -0.009055 -0.007294 0.002319 -0.001744 26O 1dx2y2 -0.010445 0.007713 0.006517 0.007928 -0.003241 -0.002428 26O 1dxy -0.010697 0.005589 0.006823 0.011544 -0.002723 -0.005462 26O 2dz2 -0.137617 -0.070867 0.110569 0.106360 -0.019702 -0.038613 26O 2dxz -0.047486 0.109492 -0.015941 0.036675 0.006258 -0.025595 26O 2dyz -0.118396 -0.002243 -0.018999 0.010065 0.002258 0.000350 26O 2dx2y2 0.119619 0.024615 -0.154247 -0.160912 0.012911 0.076671 26O 2dxy 0.041419 0.076424 -0.080059 -0.017379 0.020093 0.016815 26O 1f0 -0.001145 -0.014892 -0.008076 -0.018575 0.007698 0.010863 26O 1f+1 -0.003006 0.003801 0.040890 0.064548 0.006558 -0.029182 26O 1f-1 -0.005653 -0.064974 0.020106 0.024614 0.013045 0.006992 26O 1f+2 0.001640 0.009348 0.021478 0.041519 0.004080 -0.027003 26O 1f-2 -0.000546 0.020842 -0.008516 -0.006554 0.004701 0.002793 26O 1f+3 -0.002533 -0.000982 -0.006644 -0.017524 -0.007176 0.003867 26O 1f-3 -0.003798 -0.002686 -0.019351 -0.042691 -0.012702 0.012684 27O 1s 0.005305 0.007433 -0.000841 0.002318 -0.005467 0.004209 27O 2s 0.022732 0.026075 -0.002037 0.011555 -0.024101 0.020557 27O 3s -0.232086 -0.259465 -0.004656 -0.193989 0.361931 -0.333890 27O 4s 0.569947 0.812821 0.079648 0.729114 -1.195772 1.171459 27O 5s -0.562363 -1.332119 0.500714 0.413197 -0.903373 1.098315 27O 1pz 0.038694 0.034583 -0.000823 -0.018163 0.023213 -0.041906 27O 1px 0.102554 0.057705 0.028336 0.064658 -0.098508 0.099687 27O 1py -0.091727 -0.071654 -0.017574 -0.022220 0.034719 -0.004188 27O 2pz -0.055064 -0.119871 0.021449 0.091953 -0.132432 0.215955 27O 2px -0.193739 -0.232742 -0.180066 -0.520966 0.836731 -0.855832 27O 2py 0.164426 0.266841 0.070973 0.119521 -0.206110 0.074952 27O 3pz -0.150644 -0.314565 0.059334 -0.009680 -0.123858 0.142302 27O 3px 0.091614 -0.044481 -0.141631 -0.234130 0.410597 -0.410956 27O 3py 0.135596 0.533778 -0.069738 0.037462 0.000732 -0.048005 27O 1dz2 -0.002958 0.000331 -0.002161 0.007378 -0.008571 0.011370 27O 1dxz 0.000625 -0.005107 0.003159 0.002550 -0.001590 0.006034 27O 1dyz 0.030114 -0.005121 -0.001346 0.002863 0.010004 0.002976 27O 1dx2y2 0.022184 0.004237 -0.001373 -0.010462 0.017540 -0.017720 27O 1dxy 0.002695 -0.001285 -0.003558 -0.000449 0.004859 -0.008792 27O 2dz2 -0.035914 -0.018474 -0.023761 -0.064107 0.117954 -0.107874 27O 2dxz 0.030682 -0.002393 -0.023899 -0.068913 0.114403 -0.147632 27O 2dyz 0.040446 0.059109 -0.000418 0.021498 -0.006473 0.013256 27O 2dx2y2 0.061235 0.081210 0.040430 0.150531 -0.243096 0.252026 27O 2dxy -0.067409 -0.062578 -0.014010 -0.019941 0.068718 -0.006191 27O 1f0 -0.010048 0.035115 -0.000039 0.003630 -0.001196 -0.009931 27O 1f+1 -0.017581 0.015207 0.005423 0.022068 -0.043670 0.043466 27O 1f-1 -0.004906 0.027767 -0.007348 -0.002415 0.003917 -0.020468 27O 1f+2 -0.024608 0.047187 -0.004957 -0.003849 0.000945 -0.028560 27O 1f-2 -0.021010 -0.005588 -0.000587 -0.000820 0.008231 -0.017888 27O 1f+3 -0.010694 -0.021153 -0.002884 -0.032275 0.057447 -0.063819 27O 1f-3 0.006029 0.021158 -0.003336 -0.006579 0.003638 -0.022219 28O 1s -0.002659 0.009654 -0.000950 0.003944 0.001279 -0.003331 28O 2s -0.013969 0.031339 -0.004865 0.011890 0.002510 -0.011713 28O 3s 0.175989 -0.248756 0.086665 -0.053697 0.027353 0.113429 28O 4s -0.498064 0.644672 -0.258806 -0.006884 -0.228956 -0.337036 28O 5s 0.044186 -1.459601 -0.079514 -0.175042 -0.529369 0.248751 28O 1pz -0.100098 0.067832 0.005427 0.036172 -0.030084 -0.037690 28O 1px 0.042199 -0.031756 0.011211 -0.012990 0.022743 0.025597 28O 1py -0.040810 0.040144 -0.024138 -0.030417 -0.012259 0.010013 28O 2pz 0.219079 -0.111873 0.080248 0.020373 0.213637 0.120223 28O 2px -0.177187 0.009314 -0.121326 -0.076173 -0.215108 -0.116889 28O 2py 0.049033 -0.098392 0.112657 0.155739 0.050831 -0.049040 28O 3pz 0.078140 -0.443298 0.112340 -0.000182 0.006779 0.110748 28O 3px 0.032714 -0.316609 -0.029780 -0.034712 -0.165197 0.013402 28O 3py 0.069258 -0.357453 -0.004263 -0.103091 -0.023844 0.153510 28O 1dz2 0.003899 0.012652 0.000349 0.002506 -0.003984 -0.004750 28O 1dxz 0.014711 -0.017725 -0.015015 -0.024110 -0.007649 0.005280 28O 1dyz 0.021102 0.009136 0.004424 0.012242 0.001610 -0.003320 28O 1dx2y2 -0.001998 0.006069 -0.007461 -0.007911 -0.001616 0.004777 28O 1dxy 0.014107 -0.003150 -0.009396 -0.011629 0.003051 0.004583 28O 2dz2 -0.016911 -0.038593 -0.012385 0.006098 0.002376 0.020544 28O 2dxz 0.103567 -0.007627 0.061937 0.044981 0.070711 0.026124 28O 2dyz 0.017308 -0.059150 -0.039289 -0.048124 -0.003204 0.040547 28O 2dx2y2 -0.044236 0.011286 -0.030775 -0.018844 -0.052873 -0.035572 28O 2dxy 0.029483 -0.012228 0.037840 0.054848 0.011377 -0.018841 28O 1f0 0.011065 0.011367 -0.010337 -0.014386 0.003448 0.009270 28O 1f+1 -0.001905 0.009312 -0.010292 -0.031066 -0.009286 0.003785 28O 1f-1 -0.028751 -0.018905 -0.000011 -0.000138 0.007619 0.008109 28O 1f+2 -0.007487 0.022310 -0.033763 -0.052297 -0.005343 0.009132 28O 1f-2 -0.014713 -0.031445 0.022195 0.021314 -0.002534 -0.007084 28O 1f+3 -0.019872 -0.011091 0.032202 0.057993 0.004322 -0.016175 28O 1f-3 -0.000934 0.020884 0.012849 0.026487 0.001414 -0.014738 29O 1s -0.003248 0.005428 -0.000479 0.000385 -0.001815 -0.002106 29O 2s -0.010117 0.017818 -0.001592 0.001441 -0.006262 -0.006864 29O 3s 0.083301 -0.122841 0.013118 -0.014542 0.057323 0.050718 29O 4s -0.103613 0.102919 -0.025478 0.022126 -0.138118 -0.069428 29O 5s -0.175772 0.006197 0.039905 0.030787 0.222972 0.068920 29O 1pz -0.020654 -0.032866 -0.002500 -0.001759 0.001014 -0.001284 29O 1px -0.096969 0.122575 -0.005493 0.011259 -0.007425 -0.038245 29O 1py -0.011245 -0.001124 0.000363 0.007789 0.001010 0.006778 29O 2pz 0.184151 0.065956 0.006574 -0.009635 0.008600 0.014386 29O 2px 0.194851 -0.310342 0.013454 -0.027440 0.024665 0.103662 29O 2py 0.046085 0.036784 -0.002528 -0.021402 0.000663 -0.026209 29O 3pz 0.048049 -0.025012 0.014655 -0.025464 0.042089 -0.001308 29O 3px 0.004848 0.014606 -0.005199 -0.003473 -0.043992 -0.029586 29O 3py 0.117983 -0.019584 -0.004933 0.005226 -0.041089 -0.008083 29O 1dz2 0.009353 -0.003526 0.002057 -0.000741 0.002554 0.003330 29O 1dxz 0.009507 -0.003050 -0.003770 0.000669 -0.001462 -0.001394 29O 1dyz -0.000103 -0.001824 -0.002509 0.000354 -0.004003 -0.000490 29O 1dx2y2 -0.029038 0.015849 -0.002479 0.000923 -0.003482 -0.006738 29O 1dxy -0.018721 0.009650 -0.003187 0.002448 0.003915 0.000185 29O 2dz2 -0.049674 -0.039959 0.000104 0.005478 -0.004948 0.008492 29O 2dxz 0.057416 -0.064214 0.000964 -0.003489 0.002725 0.017703 29O 2dyz -0.093116 0.002655 -0.007360 0.008317 -0.012326 -0.013612 29O 2dx2y2 -0.024225 0.075288 -0.002747 0.002291 -0.003660 -0.020529 29O 2dxy -0.069472 0.069485 -0.006225 0.008034 -0.003182 -0.019697 29O 1f0 -0.000009 0.003538 0.000438 0.001383 -0.004355 -0.001043 29O 1f+1 -0.013366 -0.002900 0.002723 0.001700 0.003464 0.002672 29O 1f-1 -0.006379 -0.008884 -0.001509 0.001529 0.001706 0.001855 29O 1f+2 0.018510 -0.019827 -0.002635 -0.001313 0.002104 0.009217 29O 1f-2 0.027291 -0.014928 0.003996 -0.001724 -0.002360 0.006109 29O 1f+3 0.028398 -0.031621 0.003025 -0.001750 0.003857 0.010827 29O 1f-3 -0.005642 0.001811 0.002879 -0.002154 -0.008953 -0.005562 30O 1s 0.002361 0.008492 -0.001648 -0.004846 -0.001009 -0.007449 30O 2s 0.003117 0.028996 -0.005565 -0.018457 -0.007331 -0.025850 30O 3s 0.101882 -0.278260 0.049295 0.184808 0.168966 0.223928 30O 4s -0.731167 0.879690 -0.134469 -0.437313 -0.595653 -0.544867 30O 5s 0.247610 -1.283516 0.270470 -0.251574 -0.301380 0.054405 30O 1pz -0.036636 0.059045 0.000197 -0.023874 -0.038111 -0.014657 30O 1px 0.015198 -0.015567 0.005605 0.053555 0.006989 0.069344 30O 1py 0.045086 -0.063735 0.003036 0.029477 0.004423 0.061636 30O 2pz 0.263568 -0.212947 -0.003096 0.085271 0.306517 0.004087 30O 2px -0.344650 0.099123 -0.031356 -0.232081 -0.221664 -0.260426 30O 2py -0.283202 0.226066 0.002754 -0.106087 -0.216284 -0.140335 30O 3pz 0.375392 -0.283265 -0.069508 -0.015173 0.018083 0.234523 30O 3px 0.054491 -0.324753 0.072191 -0.050982 -0.112611 0.003220 30O 3py -0.559513 0.510634 -0.006563 0.000167 -0.105385 -0.198769 30O 1dz2 -0.005929 -0.004151 -0.006559 -0.008221 0.012687 -0.015063 30O 1dxz -0.010971 -0.006909 -0.005630 -0.003365 -0.008923 0.005916 30O 1dyz -0.020113 -0.010433 0.005539 0.002765 -0.016144 0.019113 30O 1dx2y2 0.001740 -0.007426 -0.000632 0.005271 -0.006680 0.014707 30O 1dxy 0.006114 0.003601 -0.005654 -0.009678 0.022134 -0.018949 30O 2dz2 0.022376 0.014954 0.004954 0.031094 -0.006173 0.052793 30O 2dxz 0.140463 -0.072029 -0.007194 0.026745 0.111169 0.022019 30O 2dyz -0.019329 0.029181 -0.011025 0.020251 0.107385 -0.042408 30O 2dx2y2 -0.109594 0.049152 -0.018931 -0.020987 -0.008021 -0.065880 30O 2dxy -0.161068 0.075906 -0.007980 -0.045783 -0.098285 -0.043998 30O 1f0 -0.003138 0.033040 0.005456 0.028165 -0.038529 0.042114 30O 1f+1 0.004332 0.011341 -0.002799 -0.014029 0.027957 -0.041788 30O 1f-1 -0.000502 0.002646 -0.003387 0.010309 -0.019517 0.020404 30O 1f+2 -0.008395 0.021956 -0.000332 -0.003083 0.003312 -0.022469 30O 1f-2 0.000800 0.036620 0.005510 0.015693 -0.052623 0.042652 30O 1f+3 0.008869 -0.003306 -0.007002 -0.004333 -0.002743 0.000503 30O 1f-3 -0.009515 -0.018694 -0.001605 -0.012086 0.005387 -0.011492 31O 1s 0.005491 0.008528 0.003673 -0.003337 0.000120 -0.007678 31O 2s 0.024667 0.029060 0.013415 -0.013032 0.004300 -0.027363 31O 3s -0.294139 -0.277175 -0.129759 0.132817 -0.143715 0.257157 31O 4s 0.901344 0.873559 0.325138 -0.300459 0.536758 -0.662552 31O 5s -0.444501 -1.286455 -0.116195 -0.345434 0.314891 -0.007537 31O 1pz -0.078564 -0.059313 -0.011351 0.019505 -0.037666 0.021488 31O 1px 0.027867 0.015775 0.029892 -0.042487 -0.000710 -0.071422 31O 1py 0.107330 0.064257 0.016024 -0.022922 -0.003163 -0.063696 31O 2pz 0.211147 0.210802 0.039850 -0.069527 0.312323 -0.060779 31O 2px -0.206490 -0.096241 -0.137406 0.178064 -0.194527 0.306856 31O 2py -0.268105 -0.224460 -0.048229 0.088765 -0.200295 0.184929 31O 3pz 0.119021 0.284033 -0.068570 -0.025700 -0.011814 -0.237318 31O 3px 0.095369 0.325926 0.039094 0.077351 -0.115820 0.020207 31O 3py -0.249949 -0.508948 -0.006115 -0.003506 -0.083034 0.217197 31O 1dz2 0.008412 -0.004173 0.009477 -0.003535 -0.014648 -0.013253 31O 1dxz -0.010007 -0.007288 0.006609 0.000231 0.009614 0.003821 31O 1dyz 0.016059 -0.010668 -0.005736 -0.000596 0.018803 0.016645 31O 1dx2y2 0.003943 -0.007684 -0.001779 0.004714 0.008190 0.013413 31O 1dxy 0.028108 0.003827 0.009145 -0.005181 -0.024433 -0.015122 31O 2dz2 -0.009765 0.015231 -0.018770 0.023980 0.013454 0.053198 31O 2dxz -0.077811 -0.070885 -0.007058 0.025604 -0.110352 0.042331 31O 2dyz -0.029484 0.030321 -0.000307 0.022945 -0.113425 -0.022877 31O 2dx2y2 0.010913 0.048799 0.026333 -0.006860 0.000965 -0.068583 31O 2dxy 0.133056 0.074152 0.029063 -0.034233 0.093499 -0.063475 31O 1f0 0.023953 -0.032565 0.017475 -0.021490 -0.043898 -0.035848 31O 1f+1 -0.004059 -0.011520 -0.008853 0.010815 0.033940 0.037471 31O 1f-1 0.001723 -0.002522 0.001833 -0.010973 -0.022782 -0.017293 31O 1f+2 0.005494 -0.021951 -0.002023 0.002459 0.006393 0.022229 31O 1f-2 -0.000286 -0.036259 0.011795 -0.010500 -0.058707 -0.034425 31O 1f+3 -0.024815 0.003151 -0.007828 -0.000589 -0.004019 -0.000403 31O 1f-3 -0.011571 0.018777 -0.007087 0.009474 0.006952 0.011075 32O 1s 0.004325 0.005374 0.000262 0.000601 0.001528 -0.002384 32O 2s 0.013683 0.017640 0.000795 0.002137 0.005321 -0.007836 32O 3s -0.107525 -0.121464 -0.005331 -0.019955 -0.050173 0.059990 32O 4s 0.140990 0.099987 0.013288 0.033479 0.127573 -0.092365 32O 5s 0.074266 0.012630 -0.051225 0.004708 -0.212220 0.102855 32O 1pz 0.056708 0.032655 -0.003194 -0.000076 0.001151 0.001428 32O 1px -0.083770 -0.122133 0.000388 -0.013054 -0.002652 0.039075 32O 1py -0.011861 0.000725 0.003836 -0.006616 0.000220 -0.006627 32O 2pz -0.174271 -0.065380 0.002418 0.012798 0.006550 -0.016669 32O 2px 0.111743 0.308931 -0.000461 0.031773 0.011618 -0.106045 32O 2py 0.052375 -0.035026 -0.012157 0.017581 0.003932 0.024289 32O 3pz 0.009024 0.023426 0.001058 0.029519 0.042022 -0.006058 32O 3px -0.027427 -0.013148 -0.006263 -0.001036 -0.040154 0.036411 32O 3py 0.101765 0.020675 -0.002235 -0.005688 -0.038841 0.013071 32O 1dz2 -0.009103 -0.003391 -0.001448 -0.001877 -0.002273 0.003779 32O 1dxz -0.014573 -0.003274 0.002953 0.002624 0.001197 -0.001798 32O 1dyz -0.008328 -0.001689 0.002012 0.001684 0.003816 -0.001290 32O 1dx2y2 0.027418 0.015665 0.001685 0.002065 0.002503 -0.007359 32O 1dxy 0.013042 0.009708 0.001700 0.004118 -0.003837 0.000576 32O 2dz2 -0.045649 -0.040709 -0.002531 0.004336 0.005371 0.008138 32O 2dxz 0.006657 -0.064657 0.000533 -0.004071 -0.000753 0.018173 32O 2dyz -0.069703 0.001646 0.002932 0.011824 0.010561 -0.015738 32O 2dx2y2 0.055061 0.074389 0.001275 0.003042 0.000781 -0.020356 32O 2dxy 0.007269 0.068563 0.001922 0.010582 0.000618 -0.019678 32O 1f0 0.005785 -0.003835 0.001055 -0.000774 -0.004216 0.001801 32O 1f+1 0.004768 0.002476 0.002945 -0.000050 0.003208 -0.003197 32O 1f-1 0.014651 0.009510 -0.000626 -0.002283 0.001287 -0.002453 32O 1f+2 0.009327 0.019046 -0.002768 -0.000249 0.000827 -0.009007 32O 1f-2 0.000030 0.014145 0.002695 0.003819 -0.003033 -0.005692 32O 1f+3 0.040190 0.032094 0.001906 0.003299 0.002479 -0.012118 32O 1f-3 0.001906 -0.001462 0.001574 0.003724 -0.008190 0.006999 33O 1s -0.005273 0.009769 -0.000906 0.003952 -0.001676 -0.003116 33O 2s -0.011970 0.031598 -0.000986 0.013077 -0.003958 -0.011346 33O 3s -0.066258 -0.247431 -0.051841 -0.096772 -0.011850 0.120272 33O 4s 0.790691 0.633499 0.228197 0.145186 0.179632 -0.381975 33O 5s -0.275438 -1.474444 0.146017 -0.102292 0.555534 0.159479 33O 1pz -0.042886 -0.068008 0.022279 -0.029296 -0.024699 0.042037 33O 1px 0.004656 0.031840 0.005227 0.017254 0.019371 -0.029007 33O 1py -0.020330 -0.039947 -0.036965 0.013761 -0.013657 -0.007488 33O 2pz 0.419329 0.103917 0.072316 0.033701 0.192873 -0.158102 33O 2px -0.430057 -0.001098 -0.143343 -0.003533 -0.196485 0.154688 33O 2py 0.077712 0.095616 0.176177 -0.074532 0.056824 0.037367 33O 3pz 0.675169 0.442014 0.101150 0.063491 -0.006084 -0.112973 33O 3px -0.054999 0.322025 -0.038731 0.011224 -0.165297 0.014631 33O 3py 0.423483 0.358892 -0.054907 0.088802 -0.042811 -0.150378 33O 1dz2 -0.010462 0.012916 -0.000428 0.001275 0.003632 -0.005128 33O 1dxz 0.025833 -0.018654 0.024012 -0.012393 0.007967 0.003177 33O 1dyz -0.014730 0.009495 -0.009736 0.008403 -0.001948 -0.002916 33O 1dx2y2 -0.013008 0.006066 0.010548 -0.003038 0.002291 0.004112 33O 1dxy 0.002723 -0.003619 0.013335 -0.004552 -0.002620 0.004617 33O 2dz2 -0.046463 -0.039545 0.004967 0.013852 -0.000180 0.019608 33O 2dxz -0.231862 -0.002889 -0.072834 0.002043 -0.065421 0.040091 33O 2dyz -0.094239 -0.060263 0.057644 -0.019782 0.008298 0.038041 33O 2dx2y2 0.159065 0.008809 0.035539 0.001251 0.047473 -0.045204 33O 2dxy -0.047494 -0.010944 -0.060170 0.027208 -0.013775 -0.015449 33O 1f0 0.003279 -0.011197 -0.016500 0.006999 0.002100 -0.009477 33O 1f+1 0.012559 -0.009355 -0.026269 0.022824 -0.009938 -0.002573 33O 1f-1 0.023185 0.018090 -0.002407 0.001136 0.006126 -0.009800 33O 1f+2 -0.000972 -0.021584 -0.056148 0.027607 -0.006368 -0.007471 33O 1f-2 0.006690 0.030785 0.028872 -0.005730 -0.001946 0.006406 33O 1f+3 0.008740 0.010266 0.056727 -0.033084 0.006109 0.014462 33O 1f-3 0.009243 -0.021231 0.024772 -0.016382 0.003276 0.014108 34O 1s 0.001300 0.007441 -0.000382 0.002316 0.005853 0.003222 34O 2s 0.000493 0.026067 -0.003723 0.010524 0.026071 0.016214 34O 3s 0.095257 -0.257988 0.094735 -0.158523 -0.395661 -0.268981 34O 4s -0.628830 0.805015 -0.406232 0.568097 1.317636 0.959446 34O 5s 0.294870 -1.336994 -0.624811 0.086078 1.025605 0.941678 34O 1pz 0.010712 -0.034837 -0.009392 0.014900 0.028859 0.038578 34O 1px 0.059114 -0.058017 0.054970 -0.038958 -0.108706 -0.082809 34O 1py -0.037611 0.072395 -0.025757 0.009437 0.035018 -0.001131 34O 2pz 0.032490 0.121264 0.061485 -0.066171 -0.160536 -0.196242 34O 2px -0.449703 0.227998 -0.396783 0.342491 0.927549 0.709587 34O 2py 0.094920 -0.268847 0.117351 -0.063658 -0.213476 -0.040851 34O 3pz -0.271372 0.316021 0.046133 0.037867 -0.140545 -0.120663 34O 3px -0.263724 0.039397 -0.227915 0.125905 0.454910 0.338787 34O 3py 0.468872 -0.531345 -0.044617 -0.072505 0.007587 0.049700 34O 1dz2 -0.010241 0.000132 -0.001641 0.007805 0.009895 0.009742 34O 1dxz -0.004854 -0.005100 -0.003973 0.000290 0.002146 0.005907 34O 1dyz -0.012806 -0.004984 -0.000225 0.002988 -0.009697 0.004836 34O 1dx2y2 0.008474 0.004474 0.005928 -0.007999 -0.019570 -0.014578 34O 1dxy -0.003369 -0.001225 0.003175 0.001489 -0.006077 -0.008248 34O 2dz2 0.056120 -0.017732 0.050090 -0.040536 -0.128274 -0.086264 34O 2dxz 0.067712 -0.000925 0.051776 -0.046418 -0.133219 -0.129570 34O 2dyz -0.085521 0.058920 -0.009306 0.018623 0.008095 0.012606 34O 2dx2y2 -0.184393 0.078743 -0.104137 0.105626 0.270379 0.209377 34O 2dxy -0.031255 -0.063580 0.022062 -0.009443 -0.068460 0.006037 34O 1f0 -0.004573 -0.035085 0.001533 -0.003023 0.000749 0.010607 34O 1f+1 -0.003228 -0.014934 0.014566 -0.016533 -0.050484 -0.037078 34O 1f-1 -0.007474 -0.027559 -0.007248 -0.002269 0.006724 0.020346 34O 1f+2 -0.006830 -0.047240 -0.006066 0.000272 0.004204 0.028689 34O 1f-2 0.001152 0.005743 -0.000942 0.000408 0.011384 0.017424 34O 1f+3 -0.004388 0.020966 -0.017311 0.026344 0.066156 0.054550 34O 1f-3 0.002240 -0.021568 -0.005668 0.003725 0.005887 0.021404 35O 1s -0.006751 0.010600 0.004449 0.002064 -0.002541 0.001357 35O 2s -0.026749 0.037570 0.019865 0.006699 -0.009301 0.006563 35O 3s 0.231200 -0.355196 -0.299214 -0.038284 0.087741 -0.096624 35O 4s -0.433448 0.972076 0.995295 -0.015653 -0.205847 0.292500 35O 5s 0.557541 -1.436896 0.756525 -0.165020 0.224348 0.597598 35O 1pz 0.102461 -0.085669 -0.021115 -0.009626 -0.000046 0.018307 35O 1px 0.083110 -0.065549 -0.095388 -0.003252 0.020703 -0.036282 35O 1py 0.086783 -0.076961 -0.009278 -0.028438 0.020067 0.000442 35O 2pz -0.219481 0.310683 0.088758 0.037205 0.012131 -0.067473 35O 2px -0.039138 0.209492 0.721022 -0.083580 -0.067852 0.255613 35O 2py -0.123461 0.257332 0.172809 0.067510 -0.067527 0.032755 35O 3pz -0.177302 0.503785 -0.042150 0.020251 -0.076966 -0.126706 35O 3px 0.105738 -0.113669 0.337281 -0.072960 0.077400 0.103014 35O 3py -0.065986 0.257965 0.044809 -0.015848 0.060997 -0.060889 35O 1dz2 0.031768 -0.005579 0.004471 -0.001168 0.009235 0.001067 35O 1dxz -0.005538 -0.001165 0.005574 -0.002542 -0.002551 0.008345 35O 1dyz 0.028900 0.000238 0.011297 -0.001202 -0.002528 -0.001697 35O 1dx2y2 -0.013916 0.008029 -0.008923 0.003020 0.003019 -0.002497 35O 1dxy -0.010650 0.005782 -0.011401 0.006228 0.002044 -0.005528 35O 2dz2 0.026204 -0.067767 -0.143709 0.028032 0.016278 -0.035565 35O 2dxz -0.122266 0.111814 -0.000398 0.039757 -0.008706 -0.024623 35O 2dyz -0.024352 -0.001067 0.013711 0.018819 -0.001764 0.000240 35O 2dx2y2 0.030575 0.019229 0.206157 -0.050461 -0.005179 0.069795 35O 2dxy -0.053489 0.075588 0.072931 0.035177 -0.019705 0.014023 35O 1f0 -0.001098 0.015298 -0.015093 0.011345 0.006533 -0.011669 35O 1f+1 -0.016160 -0.004358 0.068576 -0.034534 0.010085 0.026712 35O 1f-1 0.021782 0.064633 0.030190 -0.010584 0.011917 -0.009675 35O 1f+2 -0.019508 -0.009840 0.039674 -0.024941 0.007415 0.025573 35O 1f-2 0.023183 -0.021151 -0.012509 0.001974 0.004110 -0.003796 35O 1f+3 -0.006910 0.000887 -0.016129 0.012538 -0.007756 -0.002974 35O 1f-3 -0.026346 0.003485 -0.038628 0.027510 -0.014253 -0.010331 594 595 596 597 598 599 4.44920 4.45107 4.45273 4.46329 4.46882 4.47913 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s 0.000580 -0.000574 0.000663 -0.000540 -0.001211 0.000412 0Rh 2s -0.005936 0.005073 -0.006255 0.003540 0.010682 -0.003527 0Rh 3s -0.000076 -0.000402 0.000223 -0.001120 -0.000858 0.000356 0Rh 4s 0.033786 -0.029045 0.035554 -0.020726 -0.061002 0.020237 0Rh 5s -0.083856 0.070455 -0.085457 0.048658 0.145753 -0.048817 0Rh 6s 0.099645 -0.077003 0.088986 -0.046942 -0.148707 0.052034 0Rh 7s -0.178038 0.122039 -0.141293 0.056738 0.255333 -0.133592 0Rh 8s -0.073333 -0.046243 -0.009139 -0.010767 0.049679 0.033962 0Rh 1pz 0.000582 -0.008157 0.000782 0.000144 -0.000477 0.004095 0Rh 1px -0.000149 -0.002146 -0.003512 -0.003983 0.003477 -0.000517 0Rh 1py -0.009849 -0.001396 0.002586 -0.002346 0.001925 0.004571 0Rh 2pz -0.002279 0.032821 -0.003007 -0.000258 0.001994 -0.016418 0Rh 2px 0.000474 0.008627 0.014074 0.016019 -0.013992 0.002044 0Rh 2py 0.039581 0.005612 -0.010511 0.009401 -0.007400 -0.018446 0Rh 3pz 0.004831 -0.088587 0.005034 -0.007489 -0.007297 0.043969 0Rh 3px 0.000867 -0.023077 -0.038208 -0.044793 0.038952 -0.005050 0Rh 3py -0.106283 -0.014923 0.032357 -0.025500 0.011850 0.053268 0Rh 4pz 0.001291 0.067406 0.008800 0.045251 0.015189 -0.038238 0Rh 4px -0.005351 0.016676 0.039218 0.051635 -0.042229 0.003642 0Rh 4py 0.082178 0.009980 -0.050499 0.025823 0.027032 -0.068634 0Rh 5pz -0.016303 0.061658 -0.039956 -0.124978 -0.029666 -0.002616 0Rh 5px 0.001582 0.016906 -0.028554 -0.050324 0.031930 0.003475 0Rh 5py 0.061990 0.016593 0.075530 -0.015163 -0.121664 0.078844 0Rh 6pz 0.028921 -0.361473 0.114092 0.415710 0.237984 0.066689 0Rh 6px 0.012015 0.013685 0.189796 0.222647 -0.312170 -0.084450 0Rh 6py -0.384787 -0.149947 -0.146775 -0.016742 0.508311 -0.189989 0Rh 1dz2 0.001818 -0.010886 0.000446 -0.017446 -0.005559 -0.003427 0Rh 1dxz 0.005419 0.011140 -0.003119 0.014517 0.000730 -0.002051 0Rh 1dyz -0.006161 -0.001777 0.011153 -0.006790 -0.019908 -0.005323 0Rh 1dx2y2 -0.012720 0.006005 0.009352 0.010465 -0.007412 -0.001000 0Rh 1dxy 0.008661 0.002814 -0.010791 0.004272 0.007822 -0.004207 0Rh 2dz2 0.000538 -0.001466 0.000018 -0.001461 -0.000239 -0.000941 0Rh 2dxz 0.000800 0.001792 0.000143 0.002594 0.000245 -0.000899 0Rh 2dyz 0.000334 -0.000431 0.001586 -0.000367 -0.001479 -0.002336 0Rh 2dx2y2 -0.001654 0.000603 0.000691 0.000212 -0.000740 0.000321 0Rh 2dxy 0.002127 0.000102 -0.000825 0.000118 0.001859 -0.003686 0Rh 3dz2 -0.009940 0.051409 -0.002270 0.078426 0.024013 0.018672 0Rh 3dxz -0.025965 -0.053928 0.012250 -0.071555 -0.004096 0.012621 0Rh 3dyz 0.023517 0.009419 -0.053813 0.029951 0.088752 0.033195 0Rh 3dx2y2 0.059734 -0.027383 -0.041640 -0.043846 0.033815 0.002712 0Rh 3dxy -0.045290 -0.011983 0.047756 -0.018058 -0.040462 0.034739 0Rh 4dz2 0.019171 -0.087010 0.005794 -0.124240 -0.037442 -0.036635 0Rh 4dxz 0.044188 0.092711 -0.018704 0.119539 0.006812 -0.025241 0Rh 4dyz -0.029977 -0.018027 0.094511 -0.050104 -0.142002 -0.071898 0Rh 4dx2y2 -0.099751 0.044922 0.066825 0.064394 -0.054044 -0.002803 0Rh 4dxy 0.083176 0.018267 -0.072544 0.026733 0.066078 -0.081045 0Rh 5dz2 -0.042549 0.150120 0.030272 0.085887 0.053944 0.065525 0Rh 5dxz -0.061140 -0.172021 0.036271 -0.066074 0.007249 0.039628 0Rh 5dyz 0.013437 0.021306 0.003884 0.057542 0.189907 0.168859 0Rh 5dx2y2 0.150856 -0.078935 -0.052123 -0.041866 0.043454 0.019405 0Rh 5dxy -0.185621 -0.036651 0.089023 -0.028844 0.041296 0.144585 0Rh 1f0 -0.013737 0.003382 -0.001057 -0.006282 0.016746 -0.005929 0Rh 1f+1 -0.000606 -0.006319 -0.010267 0.009503 0.001262 -0.001299 0Rh 1f-1 -0.016457 -0.020495 0.005235 0.017631 0.020420 -0.002258 0Rh 1f+2 -0.008849 0.016076 -0.000167 -0.020707 0.004007 -0.004735 0Rh 1f-2 -0.010324 -0.002410 -0.029062 0.005846 0.010929 -0.006931 0Rh 1f+3 0.007267 -0.010220 0.008874 0.011770 -0.010399 0.000912 0Rh 1f-3 -0.009261 -0.000682 0.008514 -0.005373 0.009879 0.008784 1Rh 1s 0.000662 -0.000631 -0.000571 0.000571 0.001220 0.000426 1Rh 2s -0.006701 0.005653 0.005315 -0.003869 -0.010753 -0.003657 1Rh 3s -0.000048 -0.000394 -0.000238 0.001109 0.000872 0.000362 1Rh 4s 0.038132 -0.032330 -0.030205 0.022602 0.061411 0.020978 1Rh 5s -0.094303 0.078421 0.072161 -0.053388 -0.146709 -0.050580 1Rh 6s 0.110525 -0.085547 -0.073128 0.052873 0.149586 0.053737 1Rh 7s -0.194204 0.134785 0.112097 -0.069449 -0.258137 -0.136447 1Rh 8s -0.072680 -0.042974 -0.000042 0.012563 -0.047942 0.033814 1Rh 1pz -0.000648 0.008175 0.000548 -0.000210 -0.000618 -0.004093 1Rh 1px 0.000540 0.001828 -0.003429 -0.003998 0.003495 0.000663 1Rh 1py 0.009554 0.001276 0.003604 -0.002421 0.001601 -0.004738 1Rh 2pz 0.002530 -0.032875 -0.002078 0.001160 0.002559 0.016408 1Rh 2px -0.002041 -0.007353 0.013762 0.016085 -0.014063 -0.002629 1Rh 2py -0.038371 -0.005131 -0.014601 0.009703 -0.006100 0.019104 1Rh 3pz -0.005128 0.088267 0.002787 -0.011176 -0.008840 -0.043907 1Rh 3px 0.003387 0.019659 -0.037692 -0.045097 0.039155 0.006565 1Rh 3py 0.102355 0.013651 0.043211 -0.026295 0.008307 -0.054757 1Rh 4pz -0.002677 -0.064995 0.009640 0.047511 0.016683 0.038089 1Rh 4px 0.000971 -0.013334 0.039435 0.052147 -0.042424 -0.004813 1Rh 4py -0.075358 -0.008836 -0.058143 0.026322 0.030423 0.068644 1Rh 5pz 0.021312 -0.068425 -0.036468 -0.121035 -0.030106 0.002739 1Rh 5px 0.001538 -0.018745 -0.028592 -0.050202 0.031794 -0.003557 1Rh 5py -0.073035 -0.017039 0.066533 -0.014215 -0.122599 -0.074612 1Rh 6pz -0.044089 0.382862 0.107350 0.400479 0.236419 -0.066626 1Rh 6px -0.027523 -0.007263 0.187461 0.222163 -0.309768 0.078158 1Rh 6py 0.407489 0.153888 -0.099504 -0.021712 0.508778 0.164889 1Rh 1dz2 0.001785 -0.009859 -0.000101 0.018205 0.005521 -0.003452 1Rh 1dxz 0.004958 0.010495 0.003920 -0.014520 -0.000864 -0.002213 1Rh 1dyz -0.004538 -0.001692 -0.011850 0.006892 0.019722 -0.005420 1Rh 1dx2y2 -0.011283 0.005144 -0.011164 -0.011203 0.007514 -0.000918 1Rh 1dxy 0.007021 0.003004 0.011541 -0.004462 -0.008025 -0.003947 1Rh 2dz2 0.000511 -0.001381 0.000051 0.001546 0.000210 -0.000926 1Rh 2dxz 0.000807 0.001671 -0.000024 -0.002598 -0.000284 -0.000901 1Rh 2dyz 0.000517 -0.000438 -0.001585 0.000395 0.001337 -0.002356 1Rh 2dx2y2 -0.001540 0.000565 -0.000915 -0.000293 0.000757 0.000315 1Rh 2dxy 0.001961 0.000120 0.000986 -0.000120 -0.002015 -0.003627 1Rh 3dz2 -0.009718 0.046811 0.000542 -0.081940 -0.023712 0.018701 1Rh 3dxz -0.024090 -0.050730 -0.016091 0.071582 0.004830 0.013303 1Rh 3dyz 0.015947 0.009100 0.056654 -0.030512 -0.087305 0.033674 1Rh 3dx2y2 0.053306 -0.023681 0.050098 0.047249 -0.034309 0.002394 1Rh 3dxy -0.037841 -0.012843 -0.051565 0.018846 0.042032 0.033403 1Rh 4dz2 0.018884 -0.079755 -0.002685 0.130078 0.036675 -0.036605 1Rh 4dxz 0.041276 0.087409 0.025234 -0.119642 -0.008179 -0.026303 1Rh 4dyz -0.017230 -0.017522 -0.098497 0.051188 0.138533 -0.072624 1Rh 4dx2y2 -0.089469 0.039260 -0.080900 -0.069999 0.054837 -0.002221 1Rh 4dxy 0.071583 0.019628 0.079455 -0.027897 -0.069687 -0.078883 1Rh 5dz2 -0.038123 0.144160 -0.036663 -0.094745 -0.051917 0.066553 1Rh 5dxz -0.056005 -0.169550 -0.044517 0.068784 -0.005302 0.041102 1Rh 5dyz 0.011743 0.019824 -0.000455 -0.058839 -0.181841 0.169930 1Rh 5dx2y2 0.142295 -0.073731 0.073250 0.049829 -0.044031 0.016567 1Rh 5dxy -0.173736 -0.037855 -0.106558 0.030865 -0.033559 0.146399 1Rh 1f0 0.014077 -0.003709 0.000663 -0.006264 0.016636 0.005287 1Rh 1f+1 0.001693 0.006632 -0.010075 0.009426 0.001321 0.001365 1Rh 1f-1 0.016177 0.021386 0.006986 0.016785 0.020295 0.001612 1Rh 1f+2 0.009005 -0.017030 0.001204 -0.019986 0.004061 0.004393 1Rh 1f-2 0.013729 0.002381 -0.027798 0.005811 0.011129 0.006708 1Rh 1f+3 -0.008441 0.010922 0.008038 0.011517 -0.010313 -0.000469 1Rh 1f-3 0.008595 0.000531 0.009547 -0.005212 0.009505 -0.009248 2C 1s 0.000722 0.001892 -0.002562 -0.008830 -0.010003 0.001492 2C 2s 0.000264 -0.001457 -0.004886 -0.012053 -0.016471 -0.004142 2C 3s 0.017657 0.131356 0.001346 0.083631 0.071276 0.205759 2C 4s -0.002116 -0.178350 0.128683 -0.617808 -0.131513 -0.251695 2C 5s 0.615139 1.505048 -0.543484 -1.741952 -1.576304 1.530825 2C 1pz -0.004691 0.006469 0.021537 0.060548 0.056623 0.035145 2C 1px -0.005970 -0.017924 0.001815 0.051641 0.022305 -0.023894 2C 1py -0.009517 -0.003669 0.009451 0.036223 0.053795 0.010257 2C 2pz 0.089920 0.545835 -0.200745 -1.827450 -1.307993 0.444949 2C 2px -0.546448 -0.357979 0.978894 -1.491939 0.107483 1.420968 2C 2py 0.180811 0.475706 -0.170947 -1.633823 -1.238079 0.716373 2C 3pz 0.166246 0.226364 -0.101038 -0.105899 -0.114967 0.203713 2C 3px 0.047784 0.043354 -0.224403 0.033185 -0.225371 -0.206736 2C 3py 0.036501 0.099017 -0.019123 0.027285 -0.034354 0.057269 2C 1dz2 -0.024529 0.017993 0.017108 -0.243718 -0.135515 0.139993 2C 1dxz 0.144210 0.171367 -0.203339 0.040302 -0.186432 -0.178460 2C 1dyz -0.063027 0.024408 0.094563 -0.350913 -0.120381 0.245816 2C 1dx2y2 -0.035539 -0.049764 0.084901 -0.014970 0.089369 0.106796 2C 1dxy 0.028574 0.053012 -0.032074 0.064990 -0.005214 -0.082850 2C 2dz2 0.026966 0.126016 -0.070056 -0.555241 -0.293538 0.194569 2C 2dxz 0.320783 0.393585 -0.524241 0.061227 -0.384546 -0.305645 2C 2dyz -0.144105 0.016859 0.253377 -1.045545 -0.476143 0.588920 2C 2dx2y2 -0.173640 -0.217341 0.269259 -0.303117 0.165355 0.348120 2C 2dxy -0.007458 0.045680 -0.019855 -0.056364 -0.095548 -0.102851 2C 1f0 -0.094710 -0.144329 0.121762 -0.136907 0.118800 0.179071 2C 1f+1 -0.018778 0.005745 0.056196 0.009253 0.080826 0.049217 2C 1f-1 0.022312 -0.005979 -0.074279 0.022926 -0.063174 -0.144872 2C 1f+2 0.144155 0.231515 -0.225891 -0.094697 -0.257370 -0.061156 2C 1f-2 0.119813 0.041718 -0.166233 0.384699 0.102870 -0.336951 2C 1f+3 0.067708 0.189244 -0.101830 -0.351880 -0.305679 0.154836 2C 1f-3 -0.147076 -0.124638 0.242183 -0.202386 0.082742 0.283722 3C 1s -0.002514 0.002057 -0.001919 -0.007507 0.009714 -0.002812 3C 2s -0.003121 0.002907 -0.001022 -0.010857 0.016714 0.001473 3C 3s -0.024374 0.015933 0.024339 0.002118 -0.173830 -0.195899 3C 4s 0.069736 -0.035700 -0.365054 -0.012732 0.634310 0.328701 3C 5s -1.260541 0.624587 -0.285881 -1.290297 1.690176 -1.902122 3C 1pz 0.007379 -0.007461 -0.003615 0.024927 -0.027767 -0.017670 3C 1px 0.022681 -0.014045 0.022731 0.030988 -0.050402 0.026262 3C 1py -0.017571 0.011524 -0.009387 -0.030899 0.094257 0.018870 3C 2pz -0.808489 0.645383 0.254873 -0.892132 1.222444 -0.076901 3C 2px 0.388164 -0.079646 -1.721235 -0.716453 1.033913 -1.345058 3C 2py 0.046935 -0.039632 0.960249 0.913258 -1.607001 0.673804 3C 3pz -0.022465 -0.037031 -0.075710 0.025528 -0.093695 -0.200901 3C 3px -0.106182 -0.007032 0.229487 -0.043080 0.083580 0.093620 3C 3py 0.277040 -0.157706 -0.096594 0.123685 -0.203740 0.240116 3C 1dz2 0.032453 -0.015407 -0.032673 0.011643 -0.008875 -0.015943 3C 1dxz -0.095178 0.032219 0.192860 0.006255 0.004063 0.157766 3C 1dyz -0.160623 0.091921 0.349925 0.094954 -0.139981 0.250318 3C 1dx2y2 0.066471 -0.076315 0.074683 0.171532 -0.245087 0.101451 3C 1dxy 0.143232 -0.096233 -0.056071 0.104128 -0.143351 -0.003292 3C 2dz2 0.039662 -0.007668 0.026182 0.041091 -0.230701 -0.000060 3C 2dxz -0.269923 0.095586 0.547502 0.014048 -0.073000 0.372596 3C 2dyz -0.379660 0.211766 0.929004 0.365401 -0.508230 0.533657 3C 2dx2y2 0.309596 -0.279889 -0.051315 0.289549 -0.533161 0.130003 3C 2dxy 0.274560 -0.215659 -0.002755 0.316915 -0.496270 0.140076 3C 1f0 0.190361 -0.156902 -0.029966 0.200881 -0.329761 0.056182 3C 1f+1 0.242230 -0.143654 -0.295841 0.049840 -0.109488 -0.150269 3C 1f-1 -0.138714 0.100175 0.225489 0.091319 -0.051937 0.130891 3C 1f+2 -0.082059 0.061801 -0.136892 -0.202550 0.209345 -0.244670 3C 1f-2 -0.087911 0.069103 -0.008346 -0.147264 0.193286 -0.088079 3C 1f+3 -0.041880 -0.003606 0.131663 0.057883 -0.072689 0.111473 3C 1f-3 -0.247026 0.109006 0.424598 0.049471 -0.098311 0.294628 4C 1s -0.002106 -0.003489 -0.001767 -0.015872 -0.016077 -0.006015 4C 2s -0.004536 -0.010961 -0.004249 -0.018833 -0.025564 -0.020221 4C 3s -0.026739 0.121894 0.008372 -1.363083 -0.996008 0.277928 4C 4s 0.170800 -0.339149 0.221647 7.047749 5.589573 -0.697695 4C 5s -0.341260 -0.756146 0.510169 0.952030 1.166238 -0.370319 4C 1pz -0.008766 -0.052399 0.011481 0.152465 0.107961 -0.055395 4C 1px -0.018126 -0.038928 0.006888 0.036090 0.032161 -0.011861 4C 1py -0.008484 -0.041065 0.013626 0.101098 0.065390 -0.031103 4C 2pz 0.943911 2.144033 -0.490540 -0.729314 -0.334343 1.066403 4C 2px -2.644987 -5.128480 1.752890 0.408012 1.005779 -0.980504 4C 2py -0.407914 -0.622433 0.278921 -0.289422 0.244945 0.232606 4C 3pz 0.329363 0.549171 -0.218465 0.102682 -0.201222 0.438045 4C 3px -0.098590 -0.208740 0.086809 0.061286 0.038763 0.148120 4C 3py 0.177743 0.291591 -0.209528 -0.018314 -0.050104 0.331408 4C 1dz2 0.116553 0.225224 -0.036918 -0.103355 -0.106592 0.108690 4C 1dxz -0.148852 -0.335335 0.008386 0.025268 -0.094051 -0.210541 4C 1dyz 0.006388 0.020850 0.026675 0.077576 0.108326 0.043772 4C 1dx2y2 -0.016502 -0.019166 0.015830 0.223383 0.187127 0.019401 4C 1dxy -0.095749 -0.266427 0.035740 0.238413 0.156448 -0.123834 4C 2dz2 0.396418 0.717379 -0.398649 0.110946 -0.104984 -0.173286 4C 2dxz -0.824918 -1.591072 0.549369 -0.347747 -0.035789 -0.303687 4C 2dyz 0.034191 -0.142112 -0.050888 0.944366 0.472841 -0.369471 4C 2dx2y2 0.084299 0.047564 0.024016 0.604179 0.677487 0.131994 4C 2dxy -0.607851 -1.100586 0.441222 0.497187 0.624527 -0.170899 4C 1f0 0.015181 0.048589 -0.014292 -0.031911 -0.128658 -0.089778 4C 1f+1 -0.136692 -0.158295 0.156363 -0.342478 -0.148503 0.192828 4C 1f-1 0.119940 0.263546 -0.092720 -0.241480 -0.213854 0.094168 4C 1f+2 0.118751 0.185799 -0.043534 0.247618 0.177890 0.055435 4C 1f-2 -0.237476 -0.329493 0.198355 -0.229671 0.024891 0.155246 4C 1f+3 0.040182 0.171029 -0.016794 -0.095422 -0.015055 0.156472 4C 1f-3 0.115183 0.286209 -0.084025 -0.255570 -0.182026 0.114257 5C 1s -0.000647 0.000592 -0.006154 -0.010244 0.019418 0.003857 5C 2s -0.000963 0.000728 -0.004795 -0.014456 0.030213 0.015108 5C 3s -0.018113 0.010629 -0.709589 -0.753057 1.231563 -0.318728 5C 4s 0.229696 -0.139029 3.428293 4.058287 -6.813419 1.110004 5C 5s 0.738033 -0.206780 0.151206 0.803189 -1.105282 0.605599 5C 1pz 0.011352 -0.011284 0.037004 0.043695 -0.071125 0.028151 5C 1px 0.037948 -0.022416 0.020181 0.031246 -0.060070 0.019597 5C 1py -0.033950 0.030989 -0.061410 -0.094886 0.130079 -0.057031 5C 2pz -1.740566 0.912879 0.311166 -0.345276 0.344843 -1.024650 5C 2px 4.888863 -2.207624 -1.320364 1.017492 -0.525597 2.015636 5C 2py 1.043520 -0.634928 0.064606 0.342242 -0.288400 0.985824 5C 3pz -0.455122 0.226020 0.281069 -0.047151 0.211280 -0.421634 5C 3px 0.033961 0.029219 0.063545 0.041001 0.032974 -0.243650 5C 3py 0.601086 -0.261721 -0.391262 0.169534 -0.063432 0.678374 5C 1dz2 -0.098703 0.031799 -0.110239 -0.105877 0.209138 -0.093918 5C 1dxz 0.162355 -0.062378 -0.014457 -0.022885 0.090526 0.143187 5C 1dyz 0.116725 -0.036317 -0.005244 -0.058303 0.131130 0.135208 5C 1dx2y2 0.232175 -0.112243 0.082392 0.197554 -0.227167 0.142330 5C 1dxy -0.292429 0.153244 -0.040475 -0.066419 0.051857 -0.238115 5C 2dz2 -0.460658 0.217892 -0.149981 -0.491525 0.524639 -0.206381 5C 2dxz 0.784584 -0.446793 -0.499153 -0.116660 0.299620 0.272332 5C 2dyz 0.613210 -0.267706 -0.758650 -0.367889 0.834755 -0.084805 5C 2dx2y2 0.810812 -0.338550 -0.192089 0.345715 -0.575552 0.084922 5C 2dxy -1.447901 0.656027 0.353409 -0.331492 0.207130 -0.706517 5C 1f0 0.228884 -0.101244 -0.005111 0.074779 -0.062296 0.181739 5C 1f+1 -0.219567 0.086781 -0.044886 -0.130005 0.204635 -0.167097 5C 1f-1 0.247806 -0.144899 -0.170303 0.021673 -0.062571 -0.020203 5C 1f+2 0.064945 -0.053361 -0.043460 0.064859 -0.142004 -0.072494 5C 1f-2 -0.420567 0.195764 0.345910 0.091505 -0.250773 -0.004742 5C 1f+3 0.006076 0.004740 -0.296471 -0.212589 0.279016 -0.260266 5C 1f-3 0.106544 -0.030680 0.020242 0.133402 -0.143979 -0.028485 6C 1s -0.001776 0.001042 0.005980 0.010121 -0.019307 0.005093 6C 2s -0.002179 0.001270 0.004646 0.014197 -0.029746 0.017546 6C 3s -0.128262 0.051962 0.692072 0.752188 -1.244252 -0.269416 6C 4s 0.778842 -0.350085 -3.327209 -4.043456 6.856112 0.801894 6C 5s 0.778264 -0.234916 -0.046445 -0.791920 1.106993 0.555350 6C 1pz -0.017397 0.013669 0.034688 0.042992 -0.071790 -0.026344 6C 1px -0.041495 0.023992 0.015152 0.030241 -0.060353 -0.018476 6C 1py 0.044148 -0.035877 -0.055420 -0.093095 0.131105 0.053755 6C 2pz 1.705268 -0.922980 0.525355 -0.304398 0.345681 1.044261 6C 2px -4.738018 2.237312 -1.922892 0.915265 -0.509052 -1.995535 6C 2py -1.051351 0.650413 -0.067060 0.315533 -0.298820 -1.023838 6C 3pz 0.426776 -0.221558 0.341928 -0.035642 0.218889 0.408588 6C 3px -0.044403 -0.022958 0.064279 0.043378 0.039314 0.245746 6C 3py -0.558950 0.262006 -0.471867 0.157633 -0.079808 -0.671355 6C 1dz2 -0.116333 0.038360 0.094347 0.104051 -0.210957 -0.085194 6C 1dxz 0.156316 -0.061036 0.034811 0.025737 -0.089636 0.151821 6C 1dyz 0.113040 -0.035262 0.020517 0.058968 -0.128650 0.146630 6C 1dx2y2 0.245432 -0.121602 -0.050212 -0.191317 0.227833 0.131991 6C 1dxy -0.295663 0.156537 0.002620 0.059700 -0.054432 -0.241888 6C 2dz2 -0.491184 0.241731 0.089351 0.481375 -0.526278 -0.180967 6C 2dxz 0.718244 -0.435052 0.587691 0.136207 -0.306010 0.297725 6C 2dyz 0.506497 -0.242269 0.821997 0.380431 -0.848978 -0.059827 6C 2dx2y2 0.798843 -0.348709 0.290939 -0.326835 0.565623 0.040918 6C 2dxy -1.409237 0.667044 -0.532634 0.301888 -0.204452 -0.711103 6C 1f0 -0.228563 0.104241 -0.035022 0.070001 -0.063593 -0.183761 6C 1f+1 0.227693 -0.092747 -0.014797 -0.125164 0.205791 0.158974 6C 1f-1 -0.228027 0.141993 -0.197156 0.014244 -0.057408 0.025653 6C 1f+2 -0.064494 0.055149 -0.049488 0.062457 -0.139710 0.080774 6C 1f-2 0.375169 -0.187441 0.392018 0.100315 -0.258174 0.012147 6C 1f+3 0.032953 -0.018329 -0.289371 -0.212019 0.287422 0.255513 6C 1f-3 -0.115364 0.038321 0.007170 0.132871 -0.144522 0.038697 7C 1s -0.002116 -0.002847 0.001456 0.015889 0.015887 -0.006514 7C 2s -0.004749 -0.010327 0.003529 0.019062 0.024876 -0.021109 7C 3s -0.011398 0.185375 -0.006419 1.352957 1.007985 0.251810 7C 4s 0.119122 -0.659844 -0.217485 -7.001242 -5.622030 -0.542928 7C 5s -0.300977 -0.807785 -0.543329 -0.909284 -1.165751 -0.332413 7C 1pz 0.009211 0.059466 0.011844 0.148714 0.109113 0.052825 7C 1px 0.017972 0.040802 0.008550 0.034213 0.032125 0.011125 7C 1py 0.008087 0.046534 0.014198 0.099518 0.066829 0.030198 7C 2pz -0.892859 -2.185396 -0.575989 -0.626352 -0.361554 -1.064697 7C 2px 2.456065 5.166344 2.004247 0.175925 0.995293 0.948739 7C 2py 0.378262 0.607913 0.324468 -0.319410 0.225463 -0.252637 7C 3pz -0.310746 -0.543538 -0.254695 0.133112 -0.212766 -0.432981 7C 3px 0.090944 0.217185 0.095487 0.054806 0.033057 -0.149446 7C 3py -0.156067 -0.290605 -0.227502 0.002877 -0.057339 -0.333307 7C 1dz2 0.113546 0.229199 0.047804 0.093359 0.107932 0.105268 7C 1dxz -0.146004 -0.338158 -0.024300 -0.010096 0.088216 -0.213303 7C 1dyz 0.008617 0.018686 -0.023769 -0.078230 -0.107094 0.046920 7C 1dx2y2 -0.017040 -0.029260 -0.018989 -0.220869 -0.185863 0.025080 7C 1dxy -0.094267 -0.278616 -0.045501 -0.224069 -0.159129 -0.118860 7C 2dz2 0.349440 0.711217 0.430726 -0.140937 0.090655 -0.177863 7C 2dxz -0.762345 -1.579725 -0.626877 0.421271 0.039795 -0.302274 7C 2dyz 0.021485 -0.185219 0.053233 -0.935172 -0.489241 -0.361331 7C 2dx2y2 0.077936 0.023178 -0.016705 -0.600016 -0.672737 0.158536 7C 2dxy -0.565462 -1.129600 -0.500207 -0.448345 -0.620336 -0.155607 7C 1f0 -0.015383 -0.050597 -0.017856 -0.030326 -0.126230 0.095090 7C 1f+1 0.115319 0.141187 0.164123 -0.347441 -0.158314 -0.187684 7C 1f-1 -0.112325 -0.276021 -0.103684 -0.228552 -0.215880 -0.089221 7C 1f+2 -0.111778 -0.175395 -0.056931 0.258105 0.178384 -0.057072 7C 1f-2 0.214850 0.321550 0.220045 -0.240863 0.015875 -0.155576 7C 1f+3 -0.038681 -0.175037 -0.019870 -0.085930 -0.019973 -0.155530 7C 1f-3 -0.107437 -0.297004 -0.094783 -0.241505 -0.182953 -0.109121 8C 1s -0.002928 0.002342 0.001512 0.007379 -0.009763 -0.002352 8C 2s -0.003515 0.003220 0.000600 0.010630 -0.016596 0.002523 8C 3s -0.018985 0.016966 -0.030418 -0.002000 0.167376 -0.211028 8C 4s 0.015847 -0.030749 0.378838 0.014847 -0.622864 0.355197 8C 5s -1.332544 0.676763 0.097664 1.262494 -1.732194 -1.856291 8C 1pz -0.007438 0.008131 -0.004143 0.024430 -0.026957 0.020077 8C 1px -0.025988 0.015435 0.019533 0.030417 -0.050995 -0.024479 8C 1py 0.020438 -0.012271 -0.007343 -0.030066 0.093008 -0.024361 8C 2pz 0.794174 -0.666887 0.347702 -0.853967 1.202378 0.020767 8C 2px -0.185533 0.029434 -1.731837 -0.717448 1.077090 1.354127 8C 2py -0.203542 0.095062 0.932790 0.916563 -1.635340 -0.636922 8C 3pz 0.031714 0.035459 -0.069704 0.020921 -0.085344 0.210474 8C 3px 0.085654 0.007878 0.239446 -0.045002 0.082748 -0.106437 8C 3py -0.267302 0.158381 -0.133317 0.114742 -0.203784 -0.230479 8C 1dz2 0.028716 -0.015189 0.032276 -0.011732 0.009131 -0.014195 8C 1dxz -0.075702 0.028797 -0.197286 -0.007056 0.000759 0.162924 8C 1dyz -0.116239 0.081044 -0.362599 -0.101038 0.152941 0.257070 8C 1dx2y2 0.077089 -0.082035 -0.062945 -0.165411 0.244085 0.092169 8C 1dxy 0.140970 -0.099913 0.075074 -0.099318 0.141114 -0.012356 8C 2dz2 0.045924 -0.007769 -0.031922 -0.043217 0.234038 -0.001915 8C 2dxz -0.211006 0.085281 -0.561524 -0.016914 0.086390 0.380364 8C 2dyz -0.258850 0.178606 -0.960528 -0.380357 0.537653 0.540795 8C 2dx2y2 0.305957 -0.283030 0.092519 -0.269823 0.522738 0.106295 8C 2dxy 0.285354 -0.228180 0.045905 -0.305075 0.494347 0.116762 8C 1f0 -0.192418 0.162476 -0.057997 0.191478 -0.326029 -0.038811 8C 1f+1 -0.207287 0.136536 -0.321170 0.036594 -0.092775 0.167844 8C 1f-1 0.108695 -0.091397 0.238804 0.097188 -0.059936 -0.135439 8C 1f+2 0.103934 -0.073455 -0.119677 -0.199525 0.216008 0.242922 8C 1f-2 0.092620 -0.074103 -0.000228 -0.146583 0.198162 0.085530 8C 1f+3 0.027440 0.007105 0.125704 0.053353 -0.070995 -0.105640 8C 1f-3 0.199794 -0.100673 0.445374 0.053482 -0.109845 -0.303918 9C 1s 0.000550 0.002238 0.002628 0.008685 0.009957 0.001194 9C 2s -0.000140 -0.001079 0.004811 0.011985 0.016218 -0.004674 9C 3s 0.017895 0.129099 0.003326 -0.087528 -0.067802 0.208184 9C 4s 0.013597 -0.149211 -0.136183 0.619440 0.140165 -0.249826 9C 5s 0.582077 1.592003 0.613551 1.658214 1.613599 1.493657 9C 1pz 0.002652 -0.004081 0.021175 0.059678 0.055213 -0.036608 9C 1px 0.005951 0.020329 0.002498 0.050531 0.023288 0.023309 9C 1py 0.009152 0.004925 0.009983 0.036258 0.053865 -0.012024 9C 2pz -0.087492 -0.640879 -0.219462 -1.795763 -1.332570 -0.412902 9C 2px 0.436770 0.289392 1.009104 -1.496334 0.043288 -1.422316 9C 2py -0.175676 -0.535055 -0.163507 -1.603531 -1.246840 -0.697306 9C 3pz -0.156169 -0.229496 -0.116092 -0.090113 -0.114604 -0.201855 9C 3px -0.027574 -0.040798 -0.224430 0.035466 -0.216651 0.213642 9C 3py -0.036529 -0.102118 -0.029442 0.028463 -0.043631 -0.054476 9C 1dz2 -0.021015 0.026643 -0.022161 0.239451 0.137216 0.137805 9C 1dxz 0.123872 0.168297 0.212954 -0.051583 0.174571 -0.185636 9C 1dyz -0.049047 0.042925 -0.095687 0.348989 0.133254 0.242567 9C 1dx2y2 -0.026228 -0.050585 -0.087147 0.014041 -0.086034 0.108357 9C 1dxy 0.023803 0.052337 0.034173 -0.058966 0.004604 -0.077486 9C 2dz2 0.019475 0.144805 0.062521 0.542511 0.290713 0.192672 9C 2dxz 0.268184 0.388240 0.544273 -0.093014 0.359748 -0.323338 9C 2dyz -0.104457 0.069183 -0.253866 1.041018 0.507800 0.574814 9C 2dx2y2 -0.142818 -0.206808 -0.281196 0.303655 -0.152554 0.350498 9C 2dxy -0.012788 0.051453 0.017182 0.075717 0.099587 -0.089502 9C 1f0 0.081459 0.141709 0.132516 -0.135702 0.114541 -0.181042 9C 1f+1 0.016185 -0.003051 0.059874 0.003219 0.079465 -0.058267 9C 1f-1 -0.012828 0.007122 -0.071581 0.016983 -0.060410 0.142105 9C 1f+2 -0.119788 -0.237126 -0.231123 -0.096436 -0.254478 0.056826 9C 1f-2 -0.100388 -0.026662 -0.174649 0.384307 0.113106 0.334996 9C 1f+3 -0.064076 -0.205601 -0.111973 -0.328205 -0.304227 -0.136923 9C 1f-3 0.118840 0.107365 0.247649 -0.224075 0.056464 -0.295205 10H 1s 0.235317 0.354825 -0.359233 -0.020043 -0.367628 -0.200110 10H 2s 0.426453 0.489453 -0.837473 0.407592 -0.642264 -0.788128 10H 3s -0.086593 -0.210767 0.269677 0.217348 0.439665 0.060020 10H 1pz 0.095050 0.120866 -0.185806 0.065070 -0.171343 -0.168939 10H 1px -0.196852 -0.262867 0.353425 -0.019798 0.364562 0.265954 10H 1py 0.035579 0.036074 -0.070444 0.029519 -0.056491 -0.048483 11H 1s -0.111048 -0.002963 0.193963 -0.378299 -0.072014 0.321481 11H 2s -0.402997 -0.240656 0.552023 -0.752362 -0.029201 0.653512 11H 3s 0.059896 -0.118262 -0.138701 0.395697 0.112648 -0.360453 11H 1pz -0.082280 -0.008179 0.103800 -0.224034 -0.047452 0.179949 11H 1px -0.135366 -0.064368 0.205429 -0.329244 -0.021614 0.296340 11H 1py 0.071380 0.023502 -0.113205 0.151760 0.012921 -0.146726 12H 1s -0.029540 0.077856 0.062738 -0.506648 -0.215230 0.379979 12H 2s -0.111310 0.026949 0.204771 -1.084295 -0.461762 0.862251 12H 3s -0.078161 -0.204326 -0.015942 0.517092 0.278102 -0.426918 12H 1pz 0.013738 -0.003790 -0.021346 0.137887 0.045587 -0.091826 12H 1px -0.061627 -0.022212 0.107023 -0.310718 -0.092714 0.251937 12H 1py -0.016491 0.079408 0.045605 -0.489644 -0.250096 0.376320 13H 1s -0.377116 0.223575 0.359521 -0.176354 0.228979 0.104662 13H 2s -0.653522 0.398175 1.076804 -0.195167 0.225852 0.614336 13H 3s 0.230093 -0.113455 -0.167402 0.250902 -0.365764 0.017505 13H 1pz -0.229850 0.150924 0.302986 -0.114556 0.140793 0.144286 13H 1px 0.255379 -0.147635 -0.300423 0.127835 -0.175825 -0.151505 13H 1py 0.067455 -0.038464 -0.146849 0.028965 -0.019024 -0.090468 14H 1s -0.029881 0.084333 -0.335688 -0.277806 0.382996 -0.374640 14H 2s -0.022258 0.199869 -0.802367 -0.627454 0.789997 -0.836824 14H 3s 0.152483 -0.171021 0.292733 0.322634 -0.408737 0.422243 14H 1pz -0.086589 0.092913 -0.108988 -0.171320 0.206361 -0.187699 14H 1px 0.013949 0.065954 -0.416103 -0.302057 0.385046 -0.410133 14H 1py -0.013895 0.023230 -0.041722 -0.045903 0.080377 -0.042976 15H 1s 0.188284 -0.127270 -0.388088 -0.110800 0.119293 -0.275819 15H 2s 0.607582 -0.445991 -0.917146 -0.127430 0.128467 -0.523074 15H 3s -0.051546 0.077773 0.328852 0.135809 -0.156455 0.344139 15H 1pz -0.200398 0.138194 0.327539 0.056902 -0.040218 0.207965 15H 1px 0.078934 -0.043888 -0.166485 -0.036378 0.054704 -0.115747 15H 1py -0.158299 0.120591 0.287964 0.067202 -0.085978 0.206720 16H 1s -0.002057 0.032021 0.012339 0.005674 0.004505 0.012828 16H 2s 0.056030 0.095250 -0.068348 0.061631 -0.023010 -0.043375 16H 3s 0.022678 0.045040 -0.038425 -0.011760 -0.010022 -0.009137 16H 1pz 0.023980 0.068320 -0.019159 0.010728 -0.007311 -0.004892 16H 1px -0.018926 -0.026874 0.010735 -0.004821 0.010077 0.002635 16H 1py 0.009676 0.018420 0.001206 0.008656 -0.009272 0.011207 17H 1s 0.015312 -0.033544 -0.002194 -0.012183 -0.018274 0.001114 17H 2s 0.058103 0.030477 0.006794 -0.029395 0.024324 -0.042652 17H 3s 0.033307 -0.043977 0.022448 -0.014209 0.015196 0.008119 17H 1pz -0.016778 0.009489 -0.001775 0.000625 0.004422 0.008713 17H 1px -0.045198 0.024560 -0.004950 0.014166 0.003483 0.002364 17H 1py 0.017322 -0.009766 0.005811 -0.017117 -0.009688 0.003015 18H 1s 0.014824 -0.034132 0.003237 0.013098 0.017414 0.001042 18H 2s 0.053969 0.040706 0.001625 0.032363 -0.024937 -0.042198 18H 3s 0.034586 -0.045145 -0.017979 0.015680 -0.015101 0.007924 18H 1pz 0.016899 -0.008599 0.000119 0.001986 0.004102 -0.008932 18H 1px 0.044076 -0.022434 0.000602 0.016321 0.002972 -0.002870 18H 1py -0.016286 0.008381 0.003829 -0.017326 -0.008990 -0.003050 19H 1s 0.000260 0.030855 -0.012939 -0.007345 -0.004136 0.012656 19H 2s 0.044368 0.100714 0.077288 -0.061613 0.019883 -0.047111 19H 3s 0.020179 0.044932 0.040938 0.009726 0.009461 -0.010153 19H 1pz -0.020962 -0.069032 -0.022040 0.012456 -0.006171 0.006535 19H 1px 0.018156 0.027579 0.013276 -0.005662 0.009672 -0.003432 19H 1py -0.010703 -0.019996 -0.000616 0.009587 -0.009643 -0.010350 20H 1s 0.136387 -0.113128 0.403815 0.120660 -0.135792 -0.285662 20H 2s 0.488628 -0.418480 0.977423 0.157209 -0.168470 -0.548840 20H 3s -0.005705 0.064434 -0.328366 -0.143162 0.172792 0.352479 20H 1pz 0.157943 -0.127658 0.346073 0.066618 -0.054534 -0.217985 20H 1px -0.060172 0.040613 -0.176110 -0.039788 0.061313 0.120816 20H 1py 0.118926 -0.110439 0.301008 0.075670 -0.099283 -0.213535 21H 1s -0.071445 0.098455 0.320412 0.271372 -0.390305 -0.369569 21H 2s -0.114207 0.230611 0.772170 0.610532 -0.807016 -0.824261 21H 3s 0.190107 -0.186194 -0.262895 -0.312039 0.416087 0.415338 21H 1pz 0.099618 -0.099950 -0.095309 -0.166627 0.210623 0.184911 21H 1px 0.035224 -0.081601 -0.403591 -0.294981 0.392807 0.404350 21H 1py 0.018904 -0.024980 -0.039970 -0.044536 0.081096 0.042179 22H 1s -0.342790 0.223553 -0.399434 0.165195 -0.219240 0.122463 22H 2s -0.538169 0.384729 -1.134918 0.172572 -0.193872 0.653274 22H 3s 0.220174 -0.119681 0.194690 -0.244540 0.363159 -0.003310 22H 1pz 0.197186 -0.148079 0.323197 -0.105339 0.130694 -0.157358 22H 1px -0.227522 0.147658 -0.326902 0.120731 -0.167859 0.168113 22H 1py -0.053817 0.038108 -0.153754 0.027679 -0.016305 0.095973 23H 1s -0.017947 0.098238 -0.066963 0.494406 0.223340 0.373552 23H 2s -0.081036 0.061782 -0.219431 1.061174 0.479230 0.844975 23H 3s -0.083717 -0.224860 0.008206 -0.499697 -0.284968 -0.420052 23H 1pz -0.010800 0.009058 -0.024680 0.137570 0.047416 0.093491 23H 1px 0.047412 0.011026 0.110736 -0.300326 -0.096760 -0.243816 23H 1py 0.007757 -0.096132 0.050697 -0.479309 -0.257641 -0.370594 24H 1s -0.087271 0.019153 -0.194832 0.382922 0.090599 0.322036 24H 2s -0.339910 -0.195370 -0.566820 0.777186 0.073859 0.658777 24H 3s 0.041945 -0.142434 0.136067 -0.394639 -0.131890 -0.360254 24H 1pz 0.069113 -0.006071 0.104474 -0.226411 -0.058882 -0.179048 24H 1px 0.112697 0.046424 0.212496 -0.339663 -0.039725 -0.300599 24H 1py -0.056403 -0.012770 -0.110922 0.152141 0.022803 0.143503 25H 1s 0.199178 0.357056 0.375868 0.004865 0.354155 -0.209179 25H 2s 0.338574 0.469674 0.861233 -0.426709 0.598537 -0.804175 25H 3s -0.063881 -0.220797 -0.273442 -0.206533 -0.433654 0.071442 25H 1pz -0.076832 -0.119740 -0.194283 0.069048 -0.163957 0.174348 25H 1px 0.160917 0.261445 0.364911 -0.030649 0.348280 -0.274626 25H 1py -0.026676 -0.031188 -0.067732 0.031173 -0.048686 0.047039 26O 1s 0.009623 0.018180 -0.006247 -0.010961 -0.014722 -0.002081 26O 2s 0.040385 0.078206 -0.025449 -0.048442 -0.060016 -0.002331 26O 3s -0.498772 -1.016470 0.308338 0.681648 0.748789 -0.090515 26O 4s 1.444037 3.089161 -0.906831 -1.941004 -2.034964 0.507491 26O 5s 1.062495 1.772106 -0.996376 -1.281497 -1.573138 0.000898 26O 1pz 0.004794 0.019801 -0.030274 -0.056781 -0.043185 0.014287 26O 1px 0.174832 0.317466 -0.147224 -0.165627 -0.220208 -0.005899 26O 1py 0.061293 0.125155 -0.063191 -0.090333 -0.121883 0.012302 26O 2pz 0.002573 -0.077425 0.069150 0.310716 0.174731 -0.131494 26O 2px -0.989275 -1.980175 0.753792 1.219495 1.325648 -0.290614 26O 2py -0.355694 -0.768122 0.287618 0.613553 0.659040 -0.210094 26O 3pz -0.082619 -0.180094 -0.063714 0.011424 0.114895 -0.060296 26O 3px -0.488872 -0.927232 0.338161 0.517999 0.736459 -0.086203 26O 3py -0.123660 -0.523752 0.175036 0.312980 0.217952 0.005171 26O 1dz2 -0.011232 0.009328 -0.002625 -0.033074 -0.004871 0.005498 26O 1dxz 0.015296 0.019807 -0.020924 0.028619 0.000910 -0.026370 26O 1dyz 0.002789 -0.019526 -0.002839 0.000038 -0.021459 -0.010948 26O 1dx2y2 -0.020695 -0.030139 0.006584 0.012982 0.013242 -0.013451 26O 1dxy -0.003739 -0.016213 -0.013966 0.022592 0.008745 -0.033790 26O 2dz2 -0.172569 -0.346624 0.109485 0.208260 0.233456 -0.075460 26O 2dxz -0.003701 0.016873 0.013272 -0.164842 -0.071840 0.098384 26O 2dyz -0.000509 -0.022631 0.012007 -0.097104 -0.068395 0.034045 26O 2dx2y2 0.228309 0.438289 -0.160547 -0.256381 -0.288086 0.054830 26O 2dxy 0.165224 0.388927 -0.125864 -0.358066 -0.323749 0.107909 26O 1f0 0.011636 0.020517 -0.003029 0.033226 -0.004156 -0.013636 26O 1f+1 -0.016014 -0.046265 0.003843 0.020075 0.019279 -0.015422 26O 1f-1 0.025700 0.015873 -0.032908 0.042836 0.002311 -0.031555 26O 1f+2 -0.021143 -0.021430 0.025056 -0.056097 -0.013236 0.054659 26O 1f-2 -0.012762 -0.017794 0.005542 0.002410 -0.012223 -0.011477 26O 1f+3 -0.031380 -0.043667 0.019954 0.007137 0.015155 0.007485 26O 1f-3 -0.027339 -0.039481 0.015600 0.035592 0.035664 -0.001844 27O 1s -0.020371 0.010266 0.001727 -0.009650 0.014204 -0.003332 27O 2s -0.085224 0.042299 0.003539 -0.041348 0.059145 -0.020283 27O 3s 1.059574 -0.511842 0.031557 0.554294 -0.761227 0.373891 27O 4s -3.127763 1.464924 -0.124812 -1.602293 2.080599 -1.347887 27O 5s -1.683733 0.687689 0.108928 -1.123643 1.428113 -0.461829 27O 1pz 0.027885 -0.019136 -0.024845 -0.014759 0.002214 -0.013206 27O 1px -0.353125 0.170440 0.044793 -0.176575 0.240008 -0.093092 27O 1py 0.070392 -0.036950 -0.002875 0.053283 -0.098472 0.030752 27O 2pz -0.201293 0.105304 0.126451 0.027835 0.030959 0.031991 27O 2px 2.080575 -0.955553 -0.001273 1.149122 -1.461558 0.891782 27O 2py -0.347929 0.156215 -0.099876 -0.296551 0.485750 -0.261523 27O 3pz 0.071538 0.052240 0.018579 -0.095613 -0.093359 0.064078 27O 3px 0.999130 -0.387635 0.024778 0.527883 -0.668118 0.413626 27O 3py -0.277674 0.178597 -0.068204 -0.208526 0.071628 -0.138492 27O 1dz2 -0.011478 0.019704 -0.011144 -0.020971 -0.003903 -0.017673 27O 1dxz -0.020742 0.013997 0.018695 -0.000010 0.001988 0.002997 27O 1dyz -0.023928 0.004399 0.009373 0.014171 -0.013873 -0.010647 27O 1dx2y2 0.021818 -0.000730 0.015251 0.013399 -0.026743 0.025873 27O 1dxy 0.009985 -0.005127 -0.039618 -0.005830 0.016676 -0.037560 27O 2dz2 0.327226 -0.135563 0.043871 0.198413 -0.288806 0.170619 27O 2dxz 0.120599 -0.067979 -0.078384 0.018051 -0.016179 -0.023927 27O 2dyz -0.038367 0.014352 0.020361 0.009439 -0.019409 -0.019230 27O 2dx2y2 -0.547950 0.249589 -0.020901 -0.309522 0.370965 -0.246481 27O 2dxy 0.153688 -0.081032 0.111904 0.175957 -0.255076 0.154427 27O 1f0 -0.011248 0.009564 -0.008661 -0.002350 0.012844 -0.005005 27O 1f+1 0.045924 -0.036419 -0.001864 0.026507 -0.045595 0.018641 27O 1f-1 0.011907 -0.006251 -0.031554 -0.029894 0.010083 -0.015255 27O 1f+2 0.060806 -0.033121 -0.059132 -0.003946 0.004861 -0.020423 27O 1f-2 0.010819 0.001114 -0.033875 -0.015939 0.016483 -0.039344 27O 1f+3 0.042890 -0.007952 0.013303 0.017644 -0.008910 0.020258 27O 1f-3 0.007626 -0.004696 -0.038398 -0.023178 0.044855 -0.025857 28O 1s -0.009697 -0.018218 0.001600 -0.007030 -0.007067 -0.006956 28O 2s -0.041878 -0.079687 0.009251 -0.028159 -0.028281 -0.029975 28O 3s 0.566338 1.060988 -0.189516 0.404492 0.357412 0.346444 28O 4s -1.855964 -3.336236 0.837752 -1.287805 -0.940412 -0.819007 28O 5s -0.904029 -2.050377 0.753008 -0.939968 -0.440798 -0.624032 28O 1pz -0.102543 -0.208442 0.048096 -0.091971 -0.078217 -0.099826 28O 1px 0.135086 0.282994 -0.063878 0.065978 0.064507 0.092183 28O 1py -0.004240 -0.026528 0.010539 -0.002024 -0.032696 -0.033556 28O 2pz 0.697929 1.361601 -0.386419 0.634644 0.466442 0.482923 28O 2px -0.968691 -1.834996 0.567425 -0.676366 -0.435615 -0.389489 28O 2py 0.046960 0.149084 -0.040495 0.018121 0.160626 0.180988 28O 3pz 0.461456 0.615589 0.001373 0.254781 0.457992 0.136717 28O 3px -0.395507 -0.827272 0.228684 -0.423996 -0.167654 -0.174574 28O 3py 0.002225 0.070640 0.176335 0.116965 0.083254 -0.066759 28O 1dz2 0.004042 -0.012629 0.010880 -0.014818 0.013824 0.018257 28O 1dxz -0.003999 -0.022605 -0.000248 -0.019430 -0.011446 -0.005190 28O 1dyz 0.005469 0.022244 0.002372 -0.027526 -0.015000 0.014882 28O 1dx2y2 0.029305 0.031554 -0.021199 0.003017 0.008181 0.005136 28O 1dxy 0.009269 0.020667 -0.006948 -0.007834 -0.023604 -0.007272 28O 2dz2 0.037454 0.009047 -0.057615 -0.000019 -0.064567 -0.133289 28O 2dxz 0.309640 0.583235 -0.144418 0.236183 0.213982 0.212727 28O 2dyz 0.030007 -0.011468 -0.035668 0.002154 -0.068792 -0.107678 28O 2dx2y2 -0.217057 -0.409360 0.133314 -0.197183 -0.090536 -0.023683 28O 2dxy -0.001423 0.058234 0.022205 -0.033105 0.040567 0.091469 28O 1f0 0.022828 0.057382 -0.023692 0.006197 -0.023411 -0.008589 28O 1f+1 -0.026757 -0.027169 0.045803 -0.001732 0.038626 0.050222 28O 1f-1 0.006964 -0.003600 -0.009393 0.014649 -0.012808 -0.021624 28O 1f+2 -0.025901 -0.056084 0.010237 0.010440 -0.020635 -0.037512 28O 1f-2 -0.023112 -0.026046 0.033518 -0.017608 0.031069 0.040535 28O 1f+3 -0.029101 -0.047671 0.005105 -0.009818 0.009625 -0.002594 28O 1f-3 -0.010771 -0.014768 0.006097 -0.010214 0.010135 0.013454 29O 1s -0.000295 0.000757 0.000262 0.001442 -0.000203 -0.000834 29O 2s -0.001853 0.002200 0.000937 0.005075 -0.000437 -0.002959 29O 3s 0.034291 -0.009898 -0.009739 -0.047459 -0.001055 0.028131 29O 4s -0.092193 0.014438 0.017251 0.106361 0.002839 -0.078392 29O 5s -0.034727 -0.135126 0.023042 -0.110031 0.061332 0.166678 29O 1pz 0.006794 -0.037179 -0.007003 -0.004946 -0.003524 -0.001772 29O 1px -0.004057 -0.007787 0.004818 0.008781 -0.004124 0.001592 29O 1py -0.031018 -0.006481 0.000950 -0.001328 0.012396 -0.000996 29O 2pz -0.017711 0.145072 -0.000798 0.028040 0.004764 0.004957 29O 2px -0.010920 0.022281 -0.013409 -0.020664 0.013215 0.003705 29O 2py 0.099469 0.027543 -0.002878 -0.002725 -0.039184 0.004880 29O 3pz 0.020879 -0.020300 -0.058533 0.029226 -0.028333 -0.001261 29O 3px -0.025838 0.013303 0.000135 0.064532 -0.039751 -0.028387 29O 3py -0.015322 0.027794 -0.022571 0.016213 0.022598 -0.055307 29O 1dz2 -0.001497 0.003293 -0.000916 0.004165 -0.000891 -0.003290 29O 1dxz -0.001601 -0.006636 -0.000001 -0.005730 0.001918 0.002588 29O 1dyz 0.002503 0.001741 -0.003233 -0.006415 0.000512 -0.005038 29O 1dx2y2 0.001690 -0.002479 -0.002034 -0.004502 0.001753 -0.001560 29O 1dxy -0.005220 -0.000207 0.005156 -0.006007 -0.006473 0.008256 29O 2dz2 -0.014306 -0.027078 0.002249 -0.005893 0.004458 -0.008269 29O 2dxz -0.019114 -0.001568 -0.000965 0.006209 0.010133 0.003698 29O 2dyz 0.012991 -0.046740 0.007560 -0.021064 -0.001812 -0.004129 29O 2dx2y2 0.005844 0.004875 -0.001986 0.001432 0.001731 -0.000644 29O 2dxy 0.004119 -0.012711 0.007038 -0.011313 -0.004638 0.001668 29O 1f0 -0.001386 0.001567 0.000179 0.000252 0.004040 -0.003493 29O 1f+1 0.000120 -0.004910 0.005892 0.001959 -0.001520 0.000004 29O 1f-1 -0.006423 -0.010393 -0.000393 -0.001065 -0.000922 0.000057 29O 1f+2 -0.004814 0.006740 -0.002862 -0.009427 0.000702 0.004084 29O 1f-2 -0.003299 0.007309 -0.003873 0.005068 0.008965 -0.006238 29O 1f+3 0.002057 -0.003850 -0.000077 0.000928 0.001405 -0.002031 29O 1f-3 0.010204 -0.003405 -0.009777 0.003948 0.010046 -0.012924 30O 1s 0.014258 -0.005803 -0.004206 -0.004596 0.011464 0.008102 30O 2s 0.064580 -0.027130 -0.019466 -0.017058 0.044635 0.036460 30O 3s -0.911593 0.399260 0.340438 0.201394 -0.545761 -0.462356 30O 4s 3.013075 -1.359667 -1.306287 -0.489670 1.472945 1.268414 30O 5s 1.918742 -1.038565 -1.341505 -0.186302 0.814592 1.014342 30O 1pz 0.140518 -0.063706 -0.053799 -0.025490 0.056923 0.106727 30O 1px -0.224469 0.102172 0.084681 0.023490 -0.093234 -0.107192 30O 1py -0.132467 0.059888 0.075806 0.027777 -0.107958 -0.097282 30O 2pz -0.977688 0.470612 0.467632 0.157533 -0.408749 -0.562893 30O 2px 1.573350 -0.736443 -0.797342 -0.185798 0.648888 0.575811 30O 2py 0.961413 -0.448989 -0.532192 -0.156557 0.610356 0.556813 30O 3pz -0.434362 0.095801 0.131241 0.062832 -0.450054 -0.129353 30O 3px 0.724661 -0.409062 -0.512814 -0.098558 0.278372 0.318462 30O 3py 0.395083 -0.262513 -0.083012 -0.223447 0.312527 0.068157 30O 1dz2 0.016724 -0.018241 -0.004388 0.002450 -0.010458 0.005047 30O 1dxz 0.019703 -0.018579 -0.013415 -0.014498 0.004026 0.002072 30O 1dyz 0.032163 -0.006501 0.016963 0.015888 -0.011366 0.025853 30O 1dx2y2 -0.032204 0.006259 0.024028 -0.008044 -0.006907 0.002125 30O 1dxy -0.004338 -0.001971 0.008302 0.008476 -0.028359 -0.007922 30O 2dz2 -0.114082 0.057053 0.103110 0.031295 -0.091596 0.014112 30O 2dxz -0.402166 0.173101 0.182536 0.053618 -0.185585 -0.201232 30O 2dyz -0.188972 0.090396 0.061741 0.068155 -0.159565 -0.217299 30O 2dx2y2 0.248634 -0.130040 -0.190565 -0.025061 0.048289 -0.044656 30O 2dxy 0.393774 -0.198079 -0.181225 -0.066265 0.209934 0.196798 30O 1f0 -0.012972 0.005990 -0.017533 0.004370 -0.023392 -0.030458 30O 1f+1 0.007208 -0.002245 -0.012632 0.002745 0.015890 -0.012974 30O 1f-1 0.011690 -0.012275 -0.015213 -0.007047 -0.007985 -0.011911 30O 1f+2 0.047913 -0.029300 -0.031911 0.012624 -0.000708 0.000369 30O 1f-2 0.005240 -0.002657 0.033122 -0.010839 0.014043 0.054489 30O 1f+3 0.064555 -0.028739 -0.042424 0.007528 -0.032424 -0.019338 30O 1f-3 0.060287 -0.023267 -0.027190 0.007001 0.002536 0.008746 31O 1s 0.013485 -0.005592 0.005875 0.004785 -0.011424 0.008933 31O 2s 0.061134 -0.026300 0.027094 0.018027 -0.044522 0.039793 31O 3s -0.856635 0.387591 -0.447971 -0.217183 0.547214 -0.502009 31O 4s 2.817988 -1.324147 1.659825 0.547131 -1.489813 1.370370 31O 5s 1.744051 -1.014233 1.568812 0.233494 -0.809266 1.069495 31O 1pz -0.132337 0.062697 -0.071421 -0.028017 0.056078 -0.113136 31O 1px 0.211927 -0.100528 0.111067 0.027626 -0.093231 0.115062 31O 1py 0.121013 -0.058536 0.091200 0.029491 -0.106915 0.106020 31O 2pz 0.909949 -0.459579 0.586525 0.177997 -0.410391 0.597886 31O 2px -1.461894 0.718999 -0.979837 -0.217754 0.658179 -0.619373 31O 2py -0.882293 0.437233 -0.644868 -0.174137 0.610586 -0.601641 31O 3pz 0.412292 -0.095948 0.178569 0.064645 -0.452067 0.152597 31O 3px -0.658709 0.399071 -0.598192 -0.117653 0.279998 -0.334650 31O 3py -0.379527 0.255750 -0.126879 -0.232619 0.317059 -0.088701 31O 1dz2 0.016456 -0.018250 0.006479 -0.001731 0.010385 0.004628 31O 1dxz 0.017805 -0.017702 0.015744 0.015463 -0.004496 0.002515 31O 1dyz 0.033903 -0.007368 -0.012588 -0.015321 0.011315 0.025870 31O 1dx2y2 -0.029524 0.006298 -0.027446 0.007822 0.007337 0.002437 31O 1dxy -0.002515 -0.002494 -0.008778 -0.008433 0.028412 -0.009245 31O 2dz2 -0.100099 0.054381 -0.114457 -0.033712 0.093269 0.010572 31O 2dxz -0.375603 0.169005 -0.230247 -0.060832 0.186808 -0.214687 31O 2dyz -0.176392 0.087063 -0.086081 -0.071757 0.156604 -0.231983 31O 2dx2y2 0.225685 -0.126133 0.216999 0.030978 -0.053950 -0.045451 31O 2dxy 0.366298 -0.193230 0.227100 0.074263 -0.210844 0.212570 31O 1f0 0.014832 -0.006628 -0.015466 0.004323 -0.022227 0.033051 31O 1f+1 -0.005690 0.002251 -0.012974 0.002876 0.016055 0.012734 31O 1f-1 -0.010240 0.011800 -0.016766 -0.007529 -0.007502 0.013112 31O 1f+2 -0.044541 0.029343 -0.037526 0.011399 -0.000054 0.000602 31O 1f-2 -0.007880 0.002627 0.031651 -0.010788 0.012814 -0.057567 31O 1f+3 -0.060381 0.028176 -0.049590 0.005882 -0.030642 0.022080 31O 1f-3 -0.056905 0.023114 -0.033863 0.005807 0.003207 -0.008752 32O 1s -0.000297 0.000758 -0.000272 -0.001460 0.000215 -0.000768 32O 2s -0.001843 0.002179 -0.001074 -0.005133 0.000492 -0.002709 32O 3s 0.033675 -0.009031 0.013127 0.047863 0.000243 0.025343 32O 4s -0.091678 0.012832 -0.026738 -0.106503 -0.001311 -0.071562 32O 5s -0.022455 -0.146496 -0.030379 0.108918 -0.057862 0.162666 32O 1pz -0.005985 0.036929 -0.007960 -0.006498 -0.003357 0.001937 32O 1px 0.003533 0.007934 0.005475 0.008683 -0.004137 -0.001937 32O 1py 0.030701 0.006904 0.004128 -0.001574 0.011690 0.000428 32O 2pz 0.017953 -0.144213 0.001699 0.033957 0.004627 -0.004664 32O 2px 0.011410 -0.020742 -0.012243 -0.019620 0.012799 -0.003118 32O 2py -0.097540 -0.031555 -0.014138 -0.001805 -0.037088 -0.002678 32O 3pz -0.015110 0.022492 -0.061439 0.028154 -0.027113 0.004078 32O 3px 0.026865 -0.012320 0.003604 0.064224 -0.039027 0.026562 32O 3py 0.020679 -0.032939 -0.023455 0.015822 0.022401 0.055223 32O 1dz2 -0.001458 0.002863 0.000790 -0.004566 0.000912 -0.003321 32O 1dxz -0.001583 -0.006384 -0.000164 0.005803 -0.001670 0.002744 32O 1dyz 0.002131 0.002248 0.003310 0.006459 -0.000553 -0.004788 32O 1dx2y2 0.001482 -0.002379 0.002220 0.004342 -0.001709 -0.001528 32O 1dxy -0.004392 -0.000232 -0.005640 0.005878 0.006794 0.008271 32O 2dz2 -0.014437 -0.025783 -0.003728 0.005766 -0.004379 -0.007446 32O 2dxz -0.018856 -0.001384 -0.000989 -0.006802 -0.009484 0.004143 32O 2dyz 0.012697 -0.046761 -0.006442 0.023280 0.001522 -0.003657 32O 2dx2y2 0.005306 0.006123 0.002844 -0.002287 -0.001762 -0.000797 32O 2dxy 0.003972 -0.011297 -0.006496 0.011603 0.004355 0.001863 32O 1f0 0.001105 -0.002116 0.000489 0.000372 0.004247 0.003121 32O 1f+1 -0.001048 0.005323 0.005706 0.001568 -0.001865 -0.000017 32O 1f-1 0.006787 0.009768 0.000157 -0.001773 -0.000839 0.000082 32O 1f+2 0.004627 -0.007710 -0.002493 -0.009103 0.000544 -0.003842 32O 1f-2 0.003840 -0.007286 -0.003192 0.005061 0.008922 0.005881 32O 1f+3 -0.001277 0.002994 -0.000216 0.000424 0.001887 0.002016 32O 1f-3 -0.009024 0.004102 -0.010508 0.003850 0.010746 0.012672 33O 1s -0.009374 -0.018000 -0.002659 0.007689 0.006944 -0.007218 33O 2s -0.040269 -0.078816 -0.013704 0.031193 0.027783 -0.030982 33O 3s 0.538054 1.047342 0.247036 -0.447393 -0.353624 0.358026 33O 4s -1.743051 -3.290491 -1.019509 1.428784 0.942463 -0.846440 33O 5s -0.816336 -2.016591 -0.827624 1.034042 0.429346 -0.642428 33O 1pz 0.096211 0.205722 0.058441 -0.099573 -0.075781 0.102363 33O 1px -0.127026 -0.281779 -0.077020 0.077835 0.063237 -0.094590 33O 1py 0.003076 0.026775 0.011232 -0.004115 -0.031898 0.034234 33O 2pz -0.647656 -1.338019 -0.452242 0.690857 0.459405 -0.495769 33O 2px 0.897905 1.812966 0.657865 -0.756592 -0.438107 0.402678 33O 2py -0.042216 -0.150186 -0.046411 0.029579 0.156994 -0.184839 33O 3pz -0.452270 -0.606734 -0.047953 0.277111 0.458954 -0.154190 33O 3px 0.367042 0.810846 0.263239 -0.460674 -0.167232 0.182566 33O 3py -0.022651 -0.068993 0.173370 0.115961 0.084135 0.064873 33O 1dz2 0.004890 -0.012106 -0.009998 0.015110 -0.013314 0.018665 33O 1dxz -0.003990 -0.021659 0.000202 0.020762 0.011389 -0.005147 33O 1dyz 0.005888 0.023407 -0.001918 0.026155 0.015208 0.014354 33O 1dx2y2 0.026500 0.031592 0.024099 -0.004402 -0.008587 0.005523 33O 1dxy 0.008960 0.021270 0.007889 0.007069 0.023420 -0.008059 33O 2dz2 0.031734 0.009330 0.060089 -0.001143 0.057846 -0.134791 33O 2dxz 0.289622 0.574684 0.173849 -0.260801 -0.211039 0.219312 33O 2dyz 0.026233 -0.011840 0.037901 0.000341 0.065082 -0.109731 33O 2dx2y2 -0.200747 -0.402529 -0.152986 0.214550 0.093001 -0.026204 33O 2dxy 0.001599 0.060800 -0.021456 0.028330 -0.038003 0.092234 33O 1f0 -0.020103 -0.056774 -0.024738 0.008584 -0.021963 0.008710 33O 1f+1 0.021930 0.026909 0.047434 -0.003374 0.035740 -0.051320 33O 1f-1 -0.006157 0.004356 -0.010097 0.014357 -0.012072 0.022320 33O 1f+2 0.024312 0.056721 0.012657 0.007761 -0.019817 0.038147 33O 1f-2 0.019752 0.025860 0.035613 -0.018258 0.029750 -0.041503 33O 1f+3 0.028857 0.048156 0.008778 -0.011419 0.009902 0.002146 33O 1f-3 0.010150 0.014230 0.007131 -0.010284 0.009712 -0.013628 34O 1s -0.020427 0.010599 -0.004212 0.009100 -0.014006 -0.002486 34O 2s -0.085864 0.043831 -0.014093 0.039112 -0.058504 -0.016967 34O 3s 1.076776 -0.534559 0.102710 -0.527660 0.757181 0.335125 34O 4s -3.178750 1.533323 -0.275421 1.526852 -2.077290 -1.247406 34O 5s -1.706811 0.736071 -0.322288 1.095667 -1.412414 -0.387534 34O 1pz -0.025134 0.018064 -0.027468 -0.015583 0.002934 0.013231 34O 1px 0.352959 -0.176994 0.089172 -0.168141 0.237536 0.079729 34O 1py -0.072016 0.038885 -0.012183 0.051239 -0.098432 -0.025959 34O 2pz 0.188397 -0.102368 0.147609 0.032222 0.027596 -0.034127 34O 2px -2.109451 1.004450 -0.269524 1.101961 -1.458339 -0.820783 34O 2py 0.368437 -0.169344 -0.051378 -0.288061 0.488614 0.240673 34O 3pz -0.073392 -0.057815 0.009376 -0.095450 -0.094451 -0.058284 34O 3px -1.015935 0.410490 -0.103597 0.508506 -0.665351 -0.374209 34O 3py 0.286945 -0.188105 -0.030677 -0.197291 0.073493 0.128519 34O 1dz2 -0.012597 0.020850 0.009289 0.019943 0.003443 -0.018278 34O 1dxz -0.018732 0.013712 -0.020939 -0.000613 -0.001568 0.003462 34O 1dyz -0.022402 0.003765 -0.012103 -0.014332 0.013951 -0.011518 34O 1dx2y2 0.024088 -0.001612 -0.012146 -0.013444 0.027297 0.025134 34O 1dxy 0.005415 -0.004315 0.039775 0.006019 -0.017858 -0.037962 34O 2dz2 0.337615 -0.144444 -0.000695 -0.191585 0.288869 0.157481 34O 2dxz 0.113008 -0.067986 0.091469 -0.015194 0.014391 -0.026172 34O 2dyz -0.035675 0.013890 -0.024828 -0.010168 0.019076 -0.020079 34O 2dx2y2 -0.557956 0.263502 -0.050401 0.297103 -0.370928 -0.228249 34O 2dxy 0.170675 -0.089550 -0.089072 -0.171418 0.256748 0.145116 34O 1f0 0.012278 -0.009606 -0.007156 -0.001763 0.012914 0.004523 34O 1f+1 -0.046180 0.037123 -0.008081 0.024415 -0.045021 -0.015959 34O 1f-1 -0.008067 0.004441 -0.031574 -0.029768 0.010637 0.014659 34O 1f+2 -0.054029 0.032091 -0.065415 -0.005473 0.006654 0.021410 34O 1f-2 -0.006729 -0.002380 -0.034270 -0.016054 0.017975 0.040606 34O 1f+3 -0.044888 0.009270 0.007967 0.017606 -0.009520 -0.020210 34O 1f-3 -0.002644 0.003405 -0.038367 -0.023127 0.045448 0.024206 35O 1s 0.009060 0.018670 0.007066 0.010086 0.014469 -0.002488 35O 2s 0.038115 0.080423 0.028993 0.044664 0.059186 -0.004026 35O 3s -0.472015 -1.048448 -0.353996 -0.632340 -0.742868 -0.068847 35O 4s 1.364181 3.181998 1.041877 1.791858 2.026954 0.446992 35O 5s 0.970649 1.841461 1.103879 1.201295 1.552748 -0.049001 35O 1pz -0.001741 -0.022212 -0.029888 -0.055272 -0.043459 -0.013169 35O 1px -0.160659 -0.325710 -0.163096 -0.150495 -0.216832 0.012336 35O 1py -0.056348 -0.130225 -0.069091 -0.083701 -0.121755 -0.007777 35O 2pz -0.008651 0.090211 0.067138 0.303416 0.178536 0.126248 35O 2px 0.919795 2.040202 0.848136 1.124469 1.317732 0.250831 35O 2py 0.333957 0.800291 0.323516 0.574649 0.662251 0.187216 35O 3pz 0.091498 0.182650 -0.055752 0.001429 0.114802 0.054049 35O 3px 0.458399 0.957102 0.387259 0.474975 0.730226 0.062344 35O 3py 0.105467 0.540861 0.182027 0.287199 0.214913 -0.010852 35O 1dz2 -0.011383 0.010843 0.001388 0.032455 0.005280 0.005633 35O 1dxz 0.012910 0.018674 0.021988 -0.029019 -0.001999 -0.026126 35O 1dyz 0.002715 -0.019703 0.003216 0.001046 0.020991 -0.011539 35O 1dx2y2 -0.020023 -0.030716 -0.008805 -0.011504 -0.013321 -0.012881 35O 1dxy -0.005458 -0.017212 0.013108 -0.021950 -0.009922 -0.033570 35O 2dz2 -0.163212 -0.357527 -0.126762 -0.192026 -0.233495 -0.068022 35O 2dxz -0.001424 0.023266 -0.013722 0.161398 0.074172 0.095900 35O 2dyz 0.001600 -0.018853 -0.011489 0.097169 0.069295 0.031933 35O 2dx2y2 0.213219 0.450485 0.182527 0.235308 0.284936 0.046486 35O 2dxy 0.155836 0.407046 0.142032 0.338366 0.325267 0.097595 35O 1f0 -0.011540 -0.019217 -0.004509 0.033842 -0.003849 0.014080 35O 1f+1 0.015782 0.047665 0.005973 0.018649 0.020230 0.015099 35O 1f-1 -0.021679 -0.013752 -0.034694 0.043527 0.004403 0.031400 35O 1f+2 0.017976 0.019253 0.026758 -0.055929 -0.014957 -0.054049 35O 1f-2 0.011799 0.018226 0.006675 0.002383 -0.011807 0.012689 35O 1f+3 0.029022 0.043555 0.022491 0.004624 0.013695 -0.007952 35O 1f-3 0.025981 0.040992 0.017989 0.033206 0.035008 0.000583 600 601 602 603 604 605 4.48199 4.48765 4.52742 4.53215 4.54601 4.54709 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s 0.002889 -0.000909 -0.006720 -0.000114 -0.005556 0.000507 0Rh 2s -0.025554 0.004427 0.053406 0.001004 0.047553 -0.003866 0Rh 3s 0.002009 -0.002790 -0.008306 -0.000082 -0.004857 0.000724 0Rh 4s 0.145905 -0.025686 -0.307048 -0.005787 -0.273357 0.022285 0Rh 5s -0.347953 0.046649 0.717672 0.014334 0.657485 -0.051587 0Rh 6s 0.349368 0.022252 -0.633635 -0.017032 -0.678503 0.042204 0Rh 7s -0.630335 -0.628491 0.326384 0.018254 1.315174 -0.046516 0Rh 8s -0.128836 0.168606 0.115783 -0.019763 0.122571 0.038530 0Rh 1pz -0.001397 0.006749 0.003434 0.001280 -0.005454 -0.000729 0Rh 1px -0.012050 -0.004339 0.000552 -0.001024 0.007080 0.000008 0Rh 1py -0.002488 -0.002300 -0.000632 0.004806 0.003405 -0.003051 0Rh 2pz 0.005470 -0.026896 -0.013315 -0.005123 0.021918 0.002840 0Rh 2px 0.048373 0.016552 -0.003383 0.004105 -0.028745 0.000047 0Rh 2py 0.010061 0.009121 0.002302 -0.019219 -0.013730 0.012099 0Rh 3pz -0.011444 0.069624 0.025645 0.013453 -0.058559 -0.005802 0Rh 3px -0.131507 -0.026214 0.033324 -0.010909 0.085090 -0.001698 0Rh 3py -0.029272 -0.022595 -0.001114 0.049250 0.038432 -0.028865 0Rh 4pz -0.005280 -0.058222 0.016124 -0.010395 0.044414 -0.001931 0Rh 4px 0.127456 -0.044057 -0.113675 0.009096 -0.109183 0.006366 0Rh 4py 0.037215 0.014787 -0.018297 -0.028179 -0.040370 0.008095 0Rh 5pz 0.055662 0.010973 -0.097365 -0.002077 0.024830 0.016367 0Rh 5px -0.062541 0.172695 0.184517 -0.001395 0.126517 -0.002653 0Rh 5py -0.040347 0.007051 0.047233 -0.055280 0.024021 0.056857 0Rh 6pz -0.626461 -0.050416 -0.025108 -0.003236 0.250857 0.063748 0Rh 6px 0.936691 -0.375621 0.224981 0.092104 -1.827282 -0.246777 0Rh 6py 0.259569 0.003691 0.049259 0.357563 -0.312627 -0.102026 0Rh 1dz2 -0.003862 0.016386 0.026829 0.006298 -0.003018 0.010840 0Rh 1dxz -0.000988 0.017029 0.032747 0.002266 -0.010765 -0.009989 0Rh 1dyz -0.005012 0.002740 0.006728 0.022759 -0.006733 0.021373 0Rh 1dx2y2 0.001749 -0.030503 -0.050089 0.004853 0.005979 0.011369 0Rh 1dxy 0.001641 -0.010302 -0.015222 0.013315 0.003014 0.010980 0Rh 2dz2 0.000139 0.002693 0.001905 0.000116 -0.000104 0.002792 0Rh 2dxz -0.000178 -0.000336 0.002239 0.000189 -0.000428 -0.001089 0Rh 2dyz -0.000485 -0.000424 0.001008 0.000714 -0.000513 0.006157 0Rh 2dx2y2 -0.000506 -0.003793 -0.003240 0.000107 0.000004 0.001644 0Rh 2dxy 0.000190 -0.000556 -0.000834 0.000540 -0.000234 0.001837 0Rh 3dz2 0.015432 -0.079883 -0.119475 -0.026822 0.013258 -0.058847 0Rh 3dxz 0.004664 -0.068416 -0.145501 -0.010261 0.046755 0.046679 0Rh 3dyz 0.022921 -0.009255 -0.032585 -0.098200 0.030583 -0.119062 0Rh 3dx2y2 -0.004866 0.143095 0.221412 -0.020807 -0.025177 -0.055057 0Rh 3dxy -0.007550 0.044983 0.066491 -0.057696 -0.011503 -0.054691 0Rh 4dz2 -0.025054 0.136282 0.185837 0.044299 -0.024379 0.115086 0Rh 4dxz -0.004915 0.096411 0.224309 0.015571 -0.070513 -0.078085 0Rh 4dyz -0.037472 0.009837 0.055273 0.161383 -0.051391 0.236046 0Rh 4dx2y2 0.005696 -0.236610 -0.339876 0.035119 0.040537 0.094918 0Rh 4dxy 0.011560 -0.069679 -0.099272 0.088604 0.015791 0.099649 0Rh 5dz2 0.072138 -0.155324 -0.135755 -0.130803 0.071890 -0.143319 0Rh 5dxz -0.036658 -0.073328 -0.128773 0.008436 0.007147 0.075358 0Rh 5dyz 0.038623 -0.003562 -0.034956 -0.394341 0.071472 -0.273247 0Rh 5dx2y2 -0.043431 0.253948 0.227992 -0.099677 -0.051048 -0.084783 0Rh 5dxy -0.001940 0.066564 0.044448 -0.100738 -0.004256 -0.117260 0Rh 1f0 0.001156 0.012073 -0.000239 0.003869 0.005170 0.006793 0Rh 1f+1 -0.001511 0.002122 -0.004395 0.006866 -0.009237 -0.010164 0Rh 1f-1 -0.005120 -0.005458 0.001671 0.004658 -0.010278 0.009803 0Rh 1f+2 0.011976 -0.004775 -0.002602 -0.004292 0.008448 0.003644 0Rh 1f-2 0.004190 -0.004248 -0.003483 0.021399 -0.000726 -0.022730 0Rh 1f+3 -0.003434 -0.009010 -0.001013 -0.007826 -0.012040 0.001389 0Rh 1f-3 0.004371 -0.005272 -0.000114 -0.001410 -0.003706 0.017703 1Rh 1s -0.002837 -0.000924 -0.006617 0.000094 0.005537 0.001297 1Rh 2s 0.025213 0.004592 0.052531 -0.000841 -0.047401 -0.010641 1Rh 3s -0.001898 -0.002780 -0.008213 0.000058 0.004830 0.001407 1Rh 4s -0.143938 -0.026618 -0.302023 0.004855 0.272478 0.061231 1Rh 5s 0.343689 0.048914 0.705603 -0.012179 -0.655410 -0.145304 1Rh 6s -0.347085 0.019853 -0.621203 0.015281 0.676624 0.139019 1Rh 7s 0.638960 -0.624875 0.304315 -0.021015 -1.298343 -0.231167 1Rh 8s 0.127824 0.168470 0.113803 0.023501 -0.130518 0.024353 1Rh 1pz -0.001403 -0.006849 -0.003504 0.001209 -0.005395 -0.000042 1Rh 1px -0.012131 0.004125 -0.000469 -0.001057 0.006933 0.001002 1Rh 1py -0.002735 0.002296 0.000647 0.004798 0.002970 0.003526 1Rh 2pz 0.005499 0.027296 0.013594 -0.004839 0.021674 0.000254 1Rh 2px 0.048674 -0.015698 0.003049 0.004242 -0.028164 -0.004145 1Rh 2py 0.011054 -0.009108 -0.002362 -0.019178 -0.012004 -0.014015 1Rh 3pz -0.011603 -0.070610 -0.026413 0.012718 -0.057810 -0.002453 1Rh 3px -0.131831 0.024016 -0.032348 -0.011398 0.083645 0.013741 1Rh 3py -0.031941 0.022577 0.001281 0.048986 0.034298 0.034299 1Rh 4pz -0.005124 0.058632 -0.015397 -0.009870 0.043448 0.008163 1Rh 4px 0.125973 0.045721 0.112487 0.009973 -0.108369 -0.021507 1Rh 4py 0.039696 -0.014812 0.018085 -0.027228 -0.039040 -0.014195 1Rh 5pz 0.056526 -0.009394 0.097136 -0.001649 0.025395 -0.012842 1Rh 5px -0.058422 -0.172244 -0.183289 -0.002641 0.128429 0.019703 1Rh 5py -0.041073 -0.007038 -0.046866 -0.057533 0.031410 -0.051926 1Rh 6pz -0.633791 0.039904 0.031371 -0.006412 0.254287 -0.029056 1Rh 6px 0.935779 0.372186 -0.247380 0.094945 -1.846293 -0.005156 1Rh 6py 0.259798 -0.001455 -0.055565 0.359392 -0.325084 0.050278 1Rh 1dz2 0.003349 0.016502 0.026938 -0.006145 0.001148 0.010912 1Rh 1dxz 0.000154 0.017252 0.032859 -0.002288 0.011713 -0.008458 1Rh 1dyz 0.004941 0.002817 0.006938 -0.022650 0.003819 0.021730 1Rh 1dx2y2 -0.000697 -0.030698 -0.050206 -0.004948 -0.006849 0.010638 1Rh 1dxy -0.001476 -0.010352 -0.015339 -0.013554 -0.004374 0.010254 1Rh 2dz2 -0.000226 0.002689 0.001904 -0.000105 -0.000300 0.002761 1Rh 2dxz 0.000122 -0.000323 0.002230 -0.000214 0.000561 -0.001023 1Rh 2dyz 0.000458 -0.000421 0.001011 -0.000688 -0.000316 0.006146 1Rh 2dx2y2 0.000640 -0.003784 -0.003232 -0.000092 -0.000178 0.001647 1Rh 2dxy -0.000249 -0.000550 -0.000835 -0.000599 -0.000024 0.001842 1Rh 3dz2 -0.012919 -0.080348 -0.119921 0.026133 -0.003500 -0.059019 1Rh 3dxz -0.000977 -0.069389 -0.145928 0.010477 -0.051327 0.040002 1Rh 3dyz -0.022497 -0.009586 -0.033474 0.097621 -0.014408 -0.120496 1Rh 3dx2y2 -0.000078 0.143863 0.221869 0.021123 0.029630 -0.051990 1Rh 3dxy 0.007154 0.045164 0.066987 0.058962 0.018424 -0.051679 1Rh 4dz2 0.020743 0.137052 0.186538 -0.043236 0.005933 0.115466 1Rh 4dxz -0.000874 0.097828 0.224855 -0.016162 0.078460 -0.067989 1Rh 4dyz 0.036569 0.010331 0.056655 -0.160361 0.019421 0.238126 1Rh 4dx2y2 0.002454 -0.237773 -0.340535 -0.035395 -0.048600 0.090016 1Rh 4dxy -0.011523 -0.069910 -0.100045 -0.090939 -0.028661 0.094995 1Rh 5dz2 -0.067367 -0.157481 -0.137239 0.130965 -0.049686 -0.148468 1Rh 5dxz 0.043130 -0.072850 -0.128411 -0.006648 -0.016810 0.074351 1Rh 5dyz -0.036045 -0.003592 -0.037454 0.395560 -0.034940 -0.276197 1Rh 5dx2y2 0.035100 0.256155 0.228282 0.099348 0.058547 -0.079551 1Rh 5dxy 0.004101 0.066740 0.044843 0.104159 0.019952 -0.112710 1Rh 1f0 0.001481 -0.011997 0.000246 0.003913 0.006369 -0.006073 1Rh 1f+1 -0.001529 -0.002276 0.004260 0.006916 -0.010703 0.008856 1Rh 1f-1 -0.005517 0.005208 -0.001712 0.004470 -0.008872 -0.011302 1Rh 1f+2 0.011992 0.005147 0.002625 -0.004373 0.008602 -0.002531 1Rh 1f-2 0.004137 0.004334 0.003344 0.021723 -0.003933 0.022305 1Rh 1f+3 -0.003750 0.008815 0.000922 -0.007907 -0.012105 -0.002935 1Rh 1f-3 0.004014 0.005331 0.000210 -0.001822 -0.001579 -0.018051 2C 1s 0.004178 0.001450 0.008376 0.000519 0.000396 -0.013966 2C 2s 0.012071 -0.005173 0.011241 -0.007129 0.009821 -0.018409 2C 3s -0.207083 0.239212 0.042718 0.346965 -0.425180 -0.106610 2C 4s 0.219039 -0.341698 -0.569548 -0.407952 0.631186 0.759325 2C 5s 0.200136 0.984535 1.838297 1.575621 -1.545968 -3.807357 2C 1pz -0.068563 0.040637 -0.033945 0.046776 -0.063705 0.058238 2C 1px 0.001531 -0.020567 -0.016170 0.004779 -0.028509 0.016204 2C 1py -0.027488 0.019129 -0.021350 0.027567 -0.033842 0.032736 2C 2pz 0.262160 0.549207 0.616595 0.926377 -0.810825 -1.165798 2C 2px -1.174762 1.307034 0.204582 0.130313 0.385746 -0.063639 2C 2py -0.056023 0.478639 0.528356 0.613580 -0.466849 -0.739145 2C 3pz 0.036725 0.037918 0.191341 0.164460 -0.156621 -0.536424 2C 3px 0.332884 -0.237964 0.213898 -0.103179 0.019869 -0.316835 2C 3py 0.025375 0.040158 0.080007 0.136021 -0.135572 -0.353570 2C 1dz2 -0.048738 0.109749 0.091620 0.078961 -0.028221 -0.093049 2C 1dxz 0.242385 -0.171944 0.068769 0.026042 -0.095722 -0.117762 2C 1dyz -0.142857 0.222346 0.100098 0.123820 -0.067330 -0.115555 2C 1dx2y2 -0.130499 0.069295 -0.055824 -0.009988 0.049261 0.096486 2C 1dxy 0.069710 -0.041190 -0.004430 0.032836 -0.075920 -0.036214 2C 2dz2 0.030336 0.150841 0.147261 0.264623 -0.183378 -0.243506 2C 2dxz 0.474879 -0.360551 0.025721 0.288923 -0.412076 -0.174314 2C 2dyz -0.310009 0.560356 0.312651 0.258036 -0.073656 -0.386439 2C 2dx2y2 -0.287644 0.253914 0.074088 -0.234536 0.433426 0.097904 2C 2dxy 0.125316 0.007986 0.080945 0.015092 -0.037352 -0.170690 2C 1f0 -0.172845 0.096586 -0.045791 -0.049337 0.167665 0.149650 2C 1f+1 -0.074041 0.074846 -0.047459 0.081177 -0.082468 0.045854 2C 1f-1 0.143699 -0.151444 -0.017778 -0.065413 0.061262 0.045839 2C 1f+2 0.208564 -0.053739 0.154723 0.167496 -0.219058 -0.288445 2C 1f-2 0.236887 -0.339692 -0.168865 -0.153082 0.080066 0.232284 2C 1f+3 0.032931 0.127072 0.186323 0.224001 -0.215668 -0.290953 2C 1f-3 -0.302405 0.283933 0.011420 0.054704 0.009124 0.012975 3C 1s 0.007317 0.000125 0.011038 -0.001339 -0.002530 0.012720 3C 2s 0.014921 -0.007177 0.014881 0.008341 0.003748 0.015419 3C 3s -0.135832 0.243254 0.052972 -0.461494 -0.307274 0.147286 3C 4s 0.110779 -0.339093 -0.670098 0.638720 0.224385 -0.607677 3C 5s 0.812535 0.589252 2.499861 -1.810068 -2.233063 3.480696 3C 1pz -0.041514 0.033039 -0.017527 -0.025887 -0.005310 -0.021817 3C 1px -0.011030 -0.013771 -0.018975 -0.008832 -0.018352 -0.012146 3C 1py 0.061069 -0.047017 0.051034 0.073937 0.024591 0.043646 3C 2pz 1.066855 -0.304002 0.554284 -0.698742 -1.052270 0.875764 3C 2px -0.641813 1.333516 0.336399 -0.589017 -0.051072 0.377362 3C 2py -0.532706 -0.594731 -0.887218 1.055508 1.355305 -1.294924 3C 3pz -0.156592 0.138638 0.007430 -0.209650 -0.175544 0.177551 3C 3px 0.247118 -0.234214 0.255019 0.069437 -0.131613 0.255864 3C 3py -0.153104 0.068405 -0.331721 0.133742 0.218736 -0.506027 3C 1dz2 -0.038059 0.021906 -0.009529 0.035734 0.069216 -0.027213 3C 1dxz 0.201178 -0.165362 0.074509 0.003854 -0.126588 0.092866 3C 1dyz 0.143875 -0.278380 -0.083308 0.173661 0.075726 -0.099252 3C 1dx2y2 -0.092765 -0.047411 -0.136869 0.084538 0.087027 -0.133107 3C 1dxy -0.159841 0.055748 -0.096073 0.065887 0.142249 -0.117384 3C 2dz2 -0.110318 0.026081 -0.157469 -0.039144 0.066139 -0.137226 3C 2dxz 0.461864 -0.405667 0.038265 -0.197161 -0.460888 0.189531 3C 2dyz 0.191326 -0.637822 -0.351528 0.282738 0.129983 -0.369797 3C 2dx2y2 -0.281152 0.045822 -0.122251 0.394659 0.509450 -0.301929 3C 2dxy -0.293551 -0.003705 -0.186440 0.321037 0.398046 -0.293621 3C 1f0 -0.213360 0.063054 -0.152433 0.093079 0.162483 -0.172993 3C 1f+1 -0.272705 0.232089 -0.077742 -0.001736 0.143830 -0.100519 3C 1f-1 0.030204 -0.180244 -0.143009 0.142308 0.080468 -0.166930 3C 1f+2 0.059283 0.220587 0.243546 -0.367141 -0.328188 0.347310 3C 1f-2 0.125716 0.043465 0.209065 -0.161489 -0.182776 0.265104 3C 1f+3 0.083104 -0.092819 -0.036209 -0.036449 -0.120852 -0.012479 3C 1f-3 0.294021 -0.342722 -0.009682 0.117546 -0.048368 -0.007397 4C 1s 0.014393 -0.007452 0.018373 -0.019602 0.023718 -0.013574 4C 2s 0.032658 -0.022898 0.033696 -0.047094 0.053773 -0.020885 4C 3s 0.326683 0.253618 0.971463 -0.409158 0.701087 -1.268706 4C 4s -2.508389 -0.493982 -5.433224 3.011274 -4.575283 6.719738 4C 5s -0.407253 -0.225534 -1.150059 -0.295184 0.362115 1.777764 4C 1pz -0.006165 -0.054259 -0.051500 -0.067315 0.085107 0.057623 4C 1px 0.012164 -0.009971 -0.009547 -0.018555 -0.000688 0.013365 4C 1py -0.002643 -0.035516 -0.030814 -0.054766 0.034732 0.033036 4C 2pz -0.800330 1.048406 -1.287700 2.583674 -3.026618 1.313998 4C 2px -0.182944 -0.978473 0.797866 -1.952568 2.619232 -0.800276 4C 2py -0.473974 0.217140 -0.496856 0.877600 -0.785878 0.521380 4C 3pz 0.239180 -0.046276 0.428333 0.451036 -0.528721 -1.654390 4C 3px -0.137177 0.030632 -0.001085 0.182829 0.100334 -0.156480 4C 3py 0.183273 -0.061248 0.307879 0.323075 -0.245796 -1.101716 4C 1dz2 -0.035714 0.102195 0.046099 0.034800 -0.042380 -0.063836 4C 1dxz 0.196551 -0.192167 0.215189 -0.263911 0.290549 -0.270176 4C 1dyz -0.083336 0.078143 -0.066228 0.085105 -0.109639 0.034932 4C 1dx2y2 -0.153863 0.010152 -0.253795 0.182277 -0.235437 0.295879 4C 1dxy -0.007254 -0.107766 -0.084448 -0.001903 -0.032647 0.081077 4C 2dz2 0.374236 -0.183683 0.043201 -0.156351 0.112656 0.063777 4C 2dxz 0.297819 -0.386225 0.872805 -1.302579 1.680189 -0.796803 4C 2dyz 0.044954 -0.409785 -0.312614 -0.280898 0.140209 0.513181 4C 2dx2y2 -0.450733 0.158640 -0.852338 0.948923 -1.131208 0.796005 4C 2dxy -0.278009 -0.138632 -0.231682 -0.179654 0.251195 0.256096 4C 1f0 0.101777 -0.041570 0.127066 -0.090407 0.045696 -0.173918 4C 1f+1 -0.088600 0.156155 0.276910 -0.184724 0.292382 -0.229852 4C 1f-1 0.047280 0.075175 0.079124 0.145446 -0.157045 -0.085744 4C 1f+2 -0.145250 0.056894 -0.303074 0.196030 -0.274731 0.330895 4C 1f-2 -0.156017 0.137736 0.096361 -0.061157 0.182689 -0.069267 4C 1f+3 -0.123739 0.151256 -0.080991 0.120872 -0.104423 0.113443 4C 1f-3 0.061687 0.107552 0.158684 -0.000441 0.039454 -0.154177 5C 1s 0.014701 -0.008665 0.020882 0.023861 0.016624 0.006884 5C 2s 0.028602 -0.024554 0.037483 0.057517 0.042732 0.005781 5C 3s 0.625593 0.153903 1.220237 0.472024 0.160300 1.073075 5C 4s -3.907489 0.020440 -6.737365 -3.551513 -1.624629 -5.409424 5C 5s -0.816475 -0.143770 -1.456763 0.405666 0.728028 -1.517848 5C 1pz -0.024595 -0.025471 -0.031045 0.040502 0.069139 -0.032600 5C 1px -0.012080 -0.014563 -0.025983 0.038023 0.017549 -0.035431 5C 1py 0.051529 0.047434 0.062775 -0.101073 -0.104825 0.075733 5C 2pz -0.224702 0.817400 -1.169105 -2.123381 -1.911069 -0.736045 5C 2px -0.393633 -1.169429 0.914479 1.742798 1.447979 1.336576 5C 2py 0.430096 -0.975628 1.392600 2.744845 2.334958 0.617350 5C 3pz 0.184270 -0.214615 0.500337 -0.173674 -0.480625 0.889885 5C 3px -0.044044 -0.063900 0.204221 -0.267353 -0.018951 0.506865 5C 3py -0.176680 0.261317 -0.685753 0.435858 0.717745 -1.389790 5C 1dz2 0.063272 0.046216 0.169313 0.108036 0.066696 0.084516 5C 1dxz 0.138195 -0.128485 0.242035 0.233118 0.131474 0.203124 5C 1dyz 0.174217 -0.181019 0.179428 0.236103 0.130410 0.106563 5C 1dx2y2 -0.123422 -0.078037 -0.222886 -0.076220 -0.064655 -0.148451 5C 1dxy -0.092228 0.182624 -0.159528 -0.198795 -0.116041 -0.174314 5C 2dz2 0.444682 0.086214 0.520794 0.197735 0.104976 0.297135 5C 2dxz 0.245286 -0.305656 0.838557 1.154618 0.998882 0.426582 5C 2dyz 0.230284 0.142325 0.827330 0.265285 0.069525 0.853941 5C 2dx2y2 -0.528968 0.225302 -0.617619 -0.823609 -0.597652 -0.011730 5C 2dxy 0.002916 0.519496 -0.550797 -1.271591 -1.103081 -0.336626 5C 1f0 0.044270 -0.129656 0.135368 0.264650 0.192989 0.111585 5C 1f+1 0.055190 0.092488 0.145099 0.008158 -0.008621 0.046518 5C 1f-1 -0.104611 0.075848 0.029900 0.029220 0.104433 0.028256 5C 1f+2 -0.176158 0.099602 -0.132585 0.010789 0.142715 -0.150833 5C 1f-2 -0.036467 -0.010204 -0.374296 -0.249907 -0.203381 -0.286967 5C 1f+3 -0.010761 0.249035 0.234740 -0.013253 0.054888 0.131801 5C 1f-3 -0.230176 0.069016 -0.278504 -0.150984 -0.036456 -0.178269 6C 1s -0.014557 -0.009186 0.020908 -0.023508 -0.017246 0.004854 6C 2s -0.028084 -0.025739 0.037523 -0.056734 -0.042510 0.000622 6C 3s -0.636120 0.140742 1.220860 -0.458437 -0.314958 1.045947 6C 4s 3.940966 0.115886 -6.741425 3.467509 2.380049 -5.176222 6C 5s 0.826984 -0.136850 -1.453396 -0.413875 -0.494943 -1.598518 6C 1pz -0.025372 0.025940 0.031351 0.040374 0.062465 0.041156 6C 1px -0.012555 0.014776 0.025668 0.038234 0.011557 0.037135 6C 1py 0.052858 -0.047796 -0.062675 -0.100532 -0.090445 -0.087750 6C 2pz -0.195797 -0.850561 1.159647 -2.087145 -1.972636 0.479347 6C 2px -0.459641 1.185747 -0.891700 1.698518 1.627336 -1.107245 6C 2py 0.402343 1.015791 -1.386695 2.702443 2.360733 -0.316585 6C 3pz 0.186517 0.214176 -0.497574 -0.174002 -0.350473 -0.946807 6C 3px -0.041290 0.063893 -0.198239 -0.266250 0.053983 -0.502025 6C 3py -0.185477 -0.261029 0.683445 0.434565 0.511272 1.473050 6C 1dz2 -0.067309 0.043855 0.169863 -0.106612 -0.077319 0.076872 6C 1dxz -0.133475 -0.133604 0.240971 -0.227142 -0.157223 0.183979 6C 1dyz -0.168364 -0.186838 0.178889 -0.231597 -0.142350 0.089694 6C 1dx2y2 0.128358 -0.075214 -0.223563 0.074804 0.084544 -0.140917 6C 1dxy 0.083642 0.187265 -0.157299 0.192501 0.137705 -0.155827 6C 2dz2 -0.452023 0.077665 0.522922 -0.192395 -0.144417 0.285556 6C 2dxz -0.239344 -0.324645 0.837108 -1.137763 -1.040742 0.295655 6C 2dyz -0.233492 0.138102 0.825410 -0.254756 -0.199040 0.833967 6C 2dx2y2 0.530159 0.241694 -0.621335 0.815435 0.579596 0.054957 6C 2dxy -0.024177 0.533701 -0.545391 1.250538 1.129290 -0.187084 6C 1f0 0.038558 0.133292 -0.134175 0.259153 0.203898 -0.084866 6C 1f+1 0.060387 -0.091750 -0.145839 0.009552 -0.000995 -0.048632 6C 1f-1 -0.101415 -0.075622 -0.029176 0.029337 0.108227 -0.013215 6C 1f+2 -0.171735 -0.101735 0.132309 0.013377 0.118381 0.167198 6C 1f-2 -0.036933 0.007558 0.373214 -0.244416 -0.243652 0.257277 6C 1f+3 0.000198 -0.249489 -0.235319 -0.012099 0.076233 -0.124267 6C 1f-3 -0.229090 -0.074329 0.279001 -0.145914 -0.059938 0.173127 7C 1s -0.014411 -0.008123 0.018088 0.019506 -0.021463 -0.016890 7C 2s -0.032678 -0.024393 0.032958 0.046765 -0.049738 -0.028474 7C 3s -0.331136 0.235633 0.968842 0.409322 -0.532571 -1.358215 7C 4s 2.531131 -0.366241 -5.404156 -3.001750 3.655698 7.318584 7C 5s 0.419543 -0.217053 -1.161096 0.290020 -0.575390 1.707015 7C 1pz -0.006424 0.054463 0.053176 -0.065535 0.088554 -0.044867 7C 1px 0.012106 0.010217 0.009511 -0.018380 0.000236 -0.013087 7C 1py -0.002951 0.035989 0.032234 -0.054463 0.037288 -0.027922 7C 2pz -0.785221 -1.096647 1.235398 2.545716 -2.790880 -1.720818 7C 2px -0.252004 1.005151 -0.747486 -1.936966 2.533062 1.135846 7C 2py -0.496111 -0.240921 0.486269 0.869621 -0.681872 -0.636778 7C 3pz 0.239557 0.044769 -0.436642 0.448046 -0.737377 1.556704 7C 3px -0.142491 -0.031878 0.004326 0.179638 0.080638 0.167013 7C 3py 0.178099 0.060529 -0.310754 0.322589 -0.390800 1.053008 7C 1dz2 0.032530 0.104035 0.048723 -0.032690 0.050585 -0.059396 7C 1dxz -0.192765 -0.200354 0.210238 0.259534 -0.253077 -0.306061 7C 1dyz 0.081975 0.081213 -0.065465 -0.085501 0.103653 0.051029 7C 1dx2y2 0.156270 0.017583 -0.251013 -0.180226 0.192056 0.326737 7C 1dxy 0.011384 -0.106984 -0.085326 0.000631 0.018343 0.086989 7C 2dz2 -0.385661 -0.192227 0.043687 0.152104 -0.101458 0.040021 7C 2dxz -0.278752 -0.409420 0.847566 1.291680 -1.558860 -1.023271 7C 2dyz -0.044061 -0.410706 -0.320658 0.273738 -0.191162 0.490071 7C 2dx2y2 0.457903 0.186355 -0.839472 -0.944321 1.003824 0.953188 7C 2dxy 0.291149 -0.135901 -0.239102 0.178615 -0.291826 0.222425 7C 1f0 0.105513 0.046738 -0.126345 -0.088877 0.023994 0.178609 7C 1f+1 -0.088717 -0.153708 -0.273636 -0.185980 0.259215 0.269730 7C 1f-1 0.049363 -0.075368 -0.082855 0.142609 -0.164234 0.063413 7C 1f+2 -0.141563 -0.061385 0.300736 0.193121 -0.231205 -0.366160 7C 1f-2 -0.160012 -0.138011 -0.094240 -0.064988 0.177049 0.094020 7C 1f+3 -0.122104 -0.155637 0.078252 0.117892 -0.090180 -0.124787 7C 1f-3 0.066170 -0.105030 -0.159984 -0.002513 0.017910 0.160105 8C 1s -0.007360 -0.000014 0.011024 0.001426 0.000611 0.012911 8C 2s -0.014769 -0.007589 0.014889 -0.008133 -0.005871 0.014869 8C 3s 0.128828 0.250083 0.051637 0.457742 0.276672 0.180576 8C 4s -0.098589 -0.342958 -0.665274 -0.638130 -0.127996 -0.618614 8C 5s -0.854720 0.599993 2.492538 1.809397 1.680826 3.731117 8C 1pz -0.040642 -0.034149 0.017618 -0.025472 -0.008190 0.021309 8C 1px -0.012153 0.013490 0.019468 -0.009220 -0.020200 0.010287 8C 1py 0.059928 0.048647 -0.051082 0.072671 0.029800 -0.040804 8C 2pz 1.048962 0.309332 -0.550963 -0.700996 -0.900034 -1.001506 8C 2px -0.589915 -1.355403 -0.341122 -0.570412 0.027139 -0.380468 8C 2py -0.556070 0.597852 0.889325 1.054261 1.127489 1.453388 8C 3pz -0.147726 -0.142840 -0.008790 -0.206158 -0.145772 -0.198103 8C 3px 0.242918 0.240738 -0.257847 0.067223 -0.093853 -0.273879 8C 3py -0.153999 -0.067962 0.327768 0.135658 0.145290 0.530200 8C 1dz2 0.034728 0.019150 -0.009394 -0.036514 -0.063026 -0.035066 8C 1dxz -0.192848 -0.167219 0.074202 -0.000548 0.112101 0.107604 8C 1dyz -0.133350 -0.283563 -0.083995 -0.170725 -0.055233 -0.106943 8C 1dx2y2 0.094579 -0.046596 -0.136359 -0.084066 -0.064487 -0.142972 8C 1dxy 0.159228 0.058963 -0.096235 -0.066821 -0.123273 -0.134937 8C 2dz2 0.103218 0.018991 -0.158001 0.036131 -0.041719 -0.143654 8C 2dxz -0.440579 -0.408185 0.036807 0.203445 0.427840 0.244631 8C 2dyz -0.167198 -0.646624 -0.353775 -0.279141 -0.062015 -0.380908 8C 2dx2y2 0.278168 0.046353 -0.120950 -0.390730 -0.453443 -0.363781 8C 2dxy 0.298847 0.002835 -0.186999 -0.319769 -0.347841 -0.344193 8C 1f0 -0.214646 -0.067417 0.153523 0.094492 0.136094 0.195115 8C 1f+1 -0.260219 -0.239007 0.072043 -0.005563 0.123664 0.110772 8C 1f-1 0.024594 0.181670 0.141823 0.140750 0.050369 0.171989 8C 1f+2 0.066675 -0.222639 -0.241563 -0.364501 -0.267116 -0.381538 8C 1f-2 0.127020 -0.047565 -0.212201 -0.166526 -0.142036 -0.289675 8C 1f+3 0.076475 0.088054 0.033866 -0.040816 -0.121938 -0.005349 8C 1f-3 0.282329 0.348787 0.008234 0.109961 -0.056500 -0.002960 9C 1s -0.004271 0.001289 0.008419 -0.000557 0.001268 -0.013880 9C 2s -0.012142 -0.005679 0.011169 0.007004 -0.007357 -0.019665 9C 3s 0.203550 0.248891 0.048298 -0.345672 0.424855 -0.042948 9C 4s -0.203305 -0.352619 -0.574798 0.415921 -0.704920 0.655899 9C 5s -0.213607 0.994516 1.870022 -1.556889 1.984907 -3.540341 9C 1pz -0.068066 -0.043161 0.032952 0.046052 -0.054293 -0.066361 9C 1px 0.001189 0.020245 0.016212 0.005193 -0.025639 -0.020713 9C 1py -0.027650 -0.020340 0.021576 0.028252 -0.029526 -0.038194 9C 2pz 0.275032 -0.537531 -0.637259 0.915911 -0.918491 1.036727 9C 2px -1.172192 -1.324947 -0.206374 0.106772 0.385099 0.128021 9C 2py -0.075059 -0.496595 -0.545043 0.594590 -0.528266 0.668599 9C 3pz 0.033094 -0.041798 -0.190543 0.163846 -0.226404 0.503036 9C 3px 0.332895 0.246804 -0.215107 -0.100862 -0.021121 0.314684 9C 3py 0.034081 -0.036814 -0.087828 0.134000 -0.177225 0.336954 9C 1dz2 0.051536 0.111940 0.092144 -0.075581 0.035240 -0.087163 9C 1dxz -0.244483 -0.177993 0.069320 -0.027957 0.109582 -0.101250 9C 1dyz 0.140700 0.224049 0.103657 -0.120244 0.076826 -0.106450 9C 1dx2y2 0.131536 0.070952 -0.056960 0.012323 -0.060501 0.088527 9C 1dxy -0.068167 -0.038771 -0.002875 -0.034651 0.077165 -0.024499 9C 2dz2 -0.022345 0.155775 0.150585 -0.257231 0.199316 -0.211050 9C 2dxz -0.478460 -0.372510 0.029925 -0.289611 0.427787 -0.110102 9C 2dyz 0.302869 0.559799 0.320974 -0.249010 0.110653 -0.377500 9C 2dx2y2 0.289394 0.253369 0.068833 0.241077 -0.437445 0.034138 9C 2dxy -0.119689 0.014383 0.083983 -0.018667 0.052348 -0.163449 9C 1f0 -0.176795 -0.098991 0.047745 -0.053777 0.183500 -0.123395 9C 1f+1 -0.078961 -0.081218 0.047044 0.078597 -0.069038 -0.059548 9C 1f-1 0.139631 0.151148 0.016643 -0.062365 0.063573 -0.033924 9C 1f+2 0.204083 0.045094 -0.164303 0.174885 -0.254040 0.260173 9C 1f-2 0.237234 0.343910 0.169241 -0.144969 0.094949 -0.214642 9C 1f+3 0.042016 -0.118008 -0.187699 0.218360 -0.242010 0.252906 9C 1f-3 -0.303760 -0.297976 -0.020037 0.060482 0.005109 -0.000238 10H 1s 0.357233 -0.170164 0.147997 0.236905 -0.372671 -0.337462 10H 2s 0.914675 -0.679446 0.190485 0.409711 -0.740762 -0.556684 10H 3s -0.305850 0.063551 -0.381087 -0.170539 0.225794 0.577949 10H 1pz 0.211982 -0.127449 0.087522 0.112150 -0.197496 -0.197294 10H 1px -0.394831 0.228993 -0.162672 -0.160112 0.278494 0.326407 10H 1py 0.061454 -0.050099 0.019796 0.054397 -0.083334 -0.054011 11H 1s -0.240872 0.367834 0.153884 0.157441 -0.102247 -0.222519 11H 2s -0.541028 0.771335 0.265812 0.190568 0.015159 -0.369466 11H 3s 0.209610 -0.404671 -0.167430 -0.292871 0.225211 0.347425 11H 1pz -0.121468 0.209414 0.088089 0.119344 -0.077574 -0.149805 11H 1px -0.235568 0.322108 0.109058 0.101536 -0.022332 -0.142443 11H 1py 0.130008 -0.182000 -0.051377 -0.088926 0.067974 0.091430 12H 1s -0.193283 0.306569 0.183606 0.198339 -0.097598 -0.226028 12H 2s -0.459734 0.621694 0.378394 0.275596 -0.038475 -0.348261 12H 3s 0.146112 -0.323049 -0.278572 -0.251762 0.213429 0.382106 12H 1pz 0.046440 -0.074724 -0.041143 -0.038150 0.011808 0.047941 12H 1px -0.159697 0.211944 0.114346 0.049637 0.026225 -0.106287 12H 1py -0.179612 0.277064 0.181285 0.188370 -0.100202 -0.207610 13H 1s 0.438265 -0.230316 0.215376 -0.240136 -0.440883 0.327693 13H 2s 1.039519 -0.819405 0.346384 -0.366285 -0.837537 0.601086 13H 3s -0.411971 0.139287 -0.496731 0.184513 0.366831 -0.525026 13H 1pz 0.348304 -0.227241 0.162764 -0.146511 -0.296658 0.247705 13H 1px -0.382095 0.232749 -0.199835 0.107223 0.279616 -0.260763 13H 1py -0.158782 0.107618 -0.090770 0.071308 0.150474 -0.133511 14H 1s -0.050181 0.305265 0.209616 -0.285518 -0.171560 0.260055 14H 2s -0.139486 0.686033 0.362214 -0.522403 -0.180508 0.416195 14H 3s -0.046893 -0.313887 -0.333209 0.343960 0.284703 -0.423238 14H 1pz 0.025142 0.121642 0.091997 -0.187197 -0.126737 0.131834 14H 1px -0.074989 0.353619 0.219077 -0.250911 -0.097264 0.240260 14H 1py 0.007875 0.026230 0.030839 -0.033816 -0.033853 0.044740 15H 1s -0.135027 0.352914 0.202770 -0.234947 -0.140338 0.235275 15H 2s -0.395297 0.736025 0.352562 -0.309452 -0.073336 0.370388 15H 3s 0.125000 -0.364214 -0.224650 0.355175 0.311920 -0.340537 15H 1pz 0.148678 -0.291389 -0.113726 0.178839 0.089159 -0.147000 15H 1px -0.082251 0.134937 0.047858 -0.041847 0.009484 0.041613 15H 1py 0.102388 -0.252440 -0.146863 0.192069 0.120016 -0.181916 16H 1s 0.008061 -0.018240 -0.015714 -0.031865 0.003425 0.016037 16H 2s 0.036915 -0.025427 -0.019883 0.050826 0.041231 -0.142865 16H 3s -0.031394 -0.012911 0.002955 0.023468 0.029280 -0.033797 16H 1pz 0.014723 -0.014158 -0.019224 -0.008443 0.033894 -0.035852 16H 1px 0.001517 -0.000926 -0.014275 0.000267 -0.011848 0.018040 16H 1py -0.001933 -0.009818 -0.006480 -0.013199 0.008274 -0.009955 17H 1s -0.012938 0.001354 -0.010311 0.013650 -0.013649 0.001212 17H 2s 0.032488 0.031483 -0.001205 -0.045193 0.029798 0.087176 17H 3s -0.037002 0.000853 0.020642 -0.027624 0.039723 0.025802 17H 1pz 0.003944 0.006820 0.012095 -0.000376 0.005959 -0.014521 17H 1px 0.015648 -0.015347 -0.017057 0.025940 -0.003424 -0.035205 17H 1py -0.006936 0.006395 -0.003947 -0.010917 0.003613 0.025056 18H 1s 0.013708 0.001608 -0.009703 -0.013083 0.013666 0.003620 18H 2s -0.037806 0.032674 -0.004498 0.041579 -0.046303 0.076209 18H 3s 0.037511 0.001238 0.020261 0.027506 -0.042054 0.019567 18H 1pz 0.003806 -0.006204 -0.012187 -0.000574 0.003310 0.015091 18H 1px 0.014696 0.016214 0.016408 0.025432 -0.009367 0.032889 18H 1py -0.006607 -0.006470 0.004004 -0.010664 0.007129 -0.022864 19H 1s -0.007415 -0.018611 -0.015570 0.032911 -0.004848 0.016656 19H 2s -0.042568 -0.024415 -0.022380 -0.057827 -0.025610 -0.151653 19H 3s 0.031009 -0.012445 0.003342 -0.023996 -0.023517 -0.038078 19H 1pz 0.016250 0.014064 0.020059 -0.006561 0.029251 0.040340 19H 1px 0.000604 0.000822 0.013968 0.000009 -0.009561 -0.020216 19H 1py -0.001391 0.010309 0.007164 -0.013699 0.007333 0.011805 20H 1s 0.122121 0.358633 0.203085 0.233759 0.098485 0.248526 20H 2s 0.367397 0.747357 0.355554 0.306829 0.006837 0.371678 20H 3s -0.110548 -0.371982 -0.226354 -0.352273 -0.250889 -0.374751 20H 1pz 0.137640 0.295907 0.114729 0.177139 0.061934 0.155349 20H 1px -0.078004 -0.139836 -0.049889 -0.042083 0.016967 -0.041406 20H 1py 0.092328 0.255729 0.147197 0.190166 0.087079 0.193116 21H 1s 0.037895 0.309395 0.209285 0.281029 0.125239 0.278303 21H 2s 0.109580 0.690993 0.364087 0.508799 0.102864 0.435426 21H 3s 0.059173 -0.317943 -0.331158 -0.341567 -0.213587 -0.453829 21H 1pz 0.030222 -0.124511 -0.093335 -0.185644 -0.102930 -0.148229 21H 1px -0.060535 -0.356056 -0.218334 -0.244976 -0.053950 -0.248620 21H 1py 0.007923 -0.028241 -0.030971 -0.034419 -0.026374 -0.048978 22H 1s -0.428479 -0.234502 0.214343 0.243417 0.386861 0.380057 22H 2s -1.002262 -0.833935 0.340738 0.378654 0.741668 0.699254 22H 3s 0.407232 0.144470 -0.495643 -0.188621 -0.282776 -0.566746 22H 1pz 0.335702 0.229952 -0.160172 -0.148806 -0.254778 -0.280301 22H 1px -0.373529 -0.238959 0.199362 0.112009 0.239275 0.294552 22H 1py -0.155427 -0.110827 0.090616 0.074744 0.130840 0.152100 23H 1s 0.194136 0.311795 0.187177 -0.191378 0.117609 -0.209718 23H 2s 0.463432 0.628992 0.384413 -0.255894 0.065273 -0.343776 23H 3s -0.147886 -0.329070 -0.280952 0.244779 -0.252808 0.345913 23H 1pz 0.049450 0.078587 0.042268 -0.037675 0.016598 -0.045963 23H 1px -0.157726 -0.210645 -0.112264 0.043423 0.017011 0.106651 23H 1py -0.182647 -0.283187 -0.185809 0.181411 -0.117765 0.193036 24H 1s 0.237021 0.372857 0.157495 -0.155158 0.122382 -0.206754 24H 2s 0.532329 0.779534 0.271584 -0.186951 0.019260 -0.372731 24H 3s -0.203410 -0.410414 -0.175018 0.287846 -0.257795 0.314422 24H 1pz -0.117444 -0.210194 -0.090319 0.117810 -0.090765 0.137383 24H 1px -0.234921 -0.330148 -0.113685 0.099812 -0.035118 0.142220 24H 1py 0.124033 0.179769 0.052152 -0.086417 0.074173 -0.079745 25H 1s -0.360508 -0.174515 0.153687 -0.239896 0.406400 -0.278717 25H 2s -0.916583 -0.692710 0.197713 -0.422836 0.793041 -0.435939 25H 3s 0.308102 0.069698 -0.386479 0.170932 -0.288942 0.537475 25H 1pz 0.215461 0.131719 -0.090412 0.116905 -0.218981 0.166063 25H 1px -0.396209 -0.235029 0.166405 -0.163712 0.311465 -0.280238 25H 1py 0.056880 0.047705 -0.019302 0.052842 -0.083803 0.037929 26O 1s 0.012508 -0.003127 0.010016 -0.006429 0.003965 -0.007358 26O 2s 0.045339 -0.006094 0.040900 -0.022342 0.014836 -0.030314 26O 3s -0.460371 -0.045969 -0.526947 0.217480 -0.173586 0.411004 26O 4s 1.085371 0.325283 1.435993 -0.489291 0.430599 -1.118886 26O 5s 0.715364 0.422755 0.736882 0.092065 -0.233223 -0.997308 26O 1pz 0.023404 -0.000413 0.031220 -0.018802 0.064086 -0.040923 26O 1px 0.148530 -0.002497 0.116266 -0.031779 0.049248 -0.153643 26O 1py 0.049502 0.005587 0.057684 -0.034777 0.059972 -0.079309 26O 2pz -0.052075 -0.066726 -0.135776 0.108721 -0.293161 0.177273 26O 2px -0.664376 -0.276554 -0.794728 0.122165 -0.205764 0.912989 26O 2py -0.206337 -0.160764 -0.367708 0.159864 -0.260770 0.430772 26O 3pz -0.116332 0.187618 -0.211378 0.298015 -0.085559 0.222099 26O 3px -0.442598 -0.035393 -0.392140 0.106243 0.140393 0.505106 26O 3py -0.345198 0.049505 -0.256459 0.136194 -0.049960 0.384975 26O 1dz2 0.007013 0.017894 0.008857 0.003304 0.015815 -0.028777 26O 1dxz 0.021448 -0.022866 -0.014355 0.005785 -0.017225 0.006159 26O 1dyz 0.015409 -0.018170 0.007600 -0.014331 0.005814 -0.024488 26O 1dx2y2 0.000779 -0.011097 -0.008415 -0.002511 0.008101 0.006687 26O 1dxy 0.021224 -0.023005 -0.013515 0.002325 -0.003006 0.000432 26O 2dz2 -0.095876 -0.049164 -0.149911 0.040543 -0.034768 0.168700 26O 2dxz -0.018642 0.065968 0.073466 -0.037119 0.090314 -0.027884 26O 2dyz 0.000119 0.034062 0.050908 -0.020572 0.049927 -0.023113 26O 2dx2y2 0.166571 0.042173 0.185613 -0.018930 0.017809 -0.237875 26O 2dxy 0.110476 0.115641 0.211519 -0.061435 0.110566 -0.226629 26O 1f0 -0.003314 -0.010543 -0.019589 0.014388 -0.033582 0.022011 26O 1f+1 0.001037 -0.021855 -0.004915 -0.016162 0.018407 0.021040 26O 1f-1 0.023932 -0.015077 -0.002845 0.033944 -0.045638 0.006184 26O 1f+2 -0.038296 0.041543 0.012683 0.010048 0.006858 -0.019167 26O 1f-2 0.014763 -0.014682 0.028616 -0.047592 0.049324 -0.016906 26O 1f+3 -0.022854 0.013225 -0.003312 -0.001103 0.011451 0.005044 26O 1f-3 -0.026990 -0.001998 -0.035673 0.028977 -0.032956 0.035645 27O 1s 0.012629 -0.003434 0.010712 0.008632 0.001542 0.000977 27O 2s 0.047601 -0.006613 0.043668 0.030059 0.005833 0.004060 27O 3s -0.525915 -0.050963 -0.567463 -0.289065 -0.063778 -0.081615 27O 4s 1.303543 0.379567 1.546146 0.644559 0.170983 0.178428 27O 5s 1.159499 0.473672 0.838377 -0.072518 -0.358410 0.396808 27O 1pz -0.009479 0.007627 0.003281 0.010305 0.042077 0.005278 27O 1px 0.175376 -0.003966 0.144161 0.068110 0.041095 0.070544 27O 1py -0.044477 0.003430 -0.056376 -0.040993 -0.042155 -0.042036 27O 2pz 0.075053 -0.033739 0.024279 -0.059927 -0.191917 -0.006719 27O 2px -0.902393 -0.333052 -0.969456 -0.247234 -0.109969 -0.385917 27O 2py 0.165975 0.103709 0.288290 0.181868 0.194825 0.172600 27O 3pz 0.033356 0.167115 -0.135547 -0.223072 0.033209 -0.062076 27O 3px -0.664295 -0.040845 -0.512278 -0.246867 0.277863 -0.215820 27O 3py 0.212674 -0.140822 0.257194 0.294549 0.009037 0.181993 27O 1dz2 -0.002394 0.025988 0.001489 -0.013847 0.007650 -0.000157 27O 1dxz 0.012096 -0.010926 -0.002494 -0.004232 -0.012022 0.000728 27O 1dyz -0.018689 0.006456 -0.016689 -0.010498 -0.007652 -0.033681 27O 1dx2y2 -0.001114 -0.016986 -0.019386 -0.002808 0.003551 -0.012358 27O 1dxy -0.023497 0.032744 0.013986 -0.002347 0.008145 -0.005533 27O 2dz2 -0.149690 -0.067830 -0.199187 -0.055141 -0.017222 -0.083492 27O 2dxz -0.070323 0.028770 -0.021828 0.016364 0.070908 -0.054300 27O 2dyz -0.015836 -0.006342 -0.011904 0.000124 -0.015207 -0.002305 27O 2dx2y2 0.247043 0.088894 0.277950 0.072404 0.008172 0.132692 27O 2dxy -0.067537 -0.114470 -0.163361 -0.052143 -0.079507 -0.056166 27O 1f0 0.001888 -0.008292 -0.006298 0.017050 0.003088 -0.004252 27O 1f+1 -0.025094 0.004355 -0.032038 -0.025529 -0.012716 -0.013333 27O 1f-1 -0.002007 0.015577 0.018880 0.017297 0.031872 0.010021 27O 1f+2 -0.031999 0.020696 0.002513 0.025443 0.037596 0.004435 27O 1f-2 -0.020026 0.042568 -0.009643 -0.057026 -0.036779 0.020543 27O 1f+3 -0.006972 -0.015763 -0.003497 -0.006050 -0.000482 0.000329 27O 1f-3 0.001762 0.019618 0.045718 0.033599 0.032653 0.031726 28O 1s 0.009767 -0.008033 0.015509 -0.017644 0.024322 -0.011517 28O 2s 0.040335 -0.033139 0.066191 -0.074792 0.100727 -0.052223 28O 3s -0.475801 0.376385 -0.895558 0.974427 -1.292003 0.771258 28O 4s 1.188851 -0.967036 2.704880 -2.892741 3.836146 -2.434157 28O 5s 0.311308 -0.273189 1.326900 -2.171938 2.819740 -1.424843 28O 1pz 0.135876 -0.105449 0.161403 -0.241533 0.266435 -0.199707 28O 1px -0.106535 0.088687 -0.172324 0.254216 -0.299606 0.185068 28O 1py 0.035863 -0.039047 0.027453 -0.061147 0.042674 -0.046239 28O 2pz -0.663235 0.511515 -1.111783 1.421454 -1.705688 1.296174 28O 2px 0.506589 -0.395142 1.298096 -1.576615 1.986377 -1.356120 28O 2py -0.181464 0.190441 -0.161552 0.313226 -0.260547 0.255662 28O 3pz -0.194585 0.306568 -0.571062 0.438389 -0.829653 0.623943 28O 3px 0.089159 -0.195568 0.570373 -0.795873 1.212725 -0.599451 28O 3py -0.183102 0.182952 -0.179936 -0.123425 -0.087728 0.128072 28O 1dz2 -0.012804 0.008006 -0.008465 0.002428 0.012885 0.011817 28O 1dxz 0.020400 -0.010401 0.034926 -0.014238 0.025846 -0.041228 28O 1dyz -0.008685 0.012843 -0.006704 -0.001934 0.004544 -0.009410 28O 1dx2y2 0.010565 -0.007184 -0.010009 0.021649 -0.017307 0.017736 28O 1dxy 0.009357 0.001772 0.008320 -0.005435 -0.000353 -0.021088 28O 2dz2 0.147948 -0.106905 0.073726 -0.093559 0.081748 -0.088612 28O 2dxz -0.264136 0.205845 -0.488792 0.569486 -0.702283 0.548038 28O 2dyz 0.109055 -0.085363 0.074983 -0.116568 0.097982 -0.076051 28O 2dx2y2 0.076264 -0.055516 0.292955 -0.316460 0.437933 -0.314752 28O 2dxy -0.099851 0.113188 -0.070429 0.092399 -0.086573 0.067944 28O 1f0 0.017802 -0.006208 -0.004369 0.021674 -0.040386 -0.001178 28O 1f+1 -0.072608 0.048504 -0.033854 0.021882 -0.016247 0.058848 28O 1f-1 0.025047 -0.007693 0.033438 -0.021682 0.011808 -0.025310 28O 1f+2 0.027273 -0.031240 0.030058 -0.052210 0.060368 -0.040218 28O 1f-2 -0.052732 0.046637 -0.014266 0.020228 -0.016744 0.019282 28O 1f+3 0.006914 -0.009646 0.019462 -0.027383 0.046518 -0.015489 28O 1f-3 -0.009326 0.006177 -0.000613 -0.001575 0.014396 0.016751 29O 1s 0.003930 -0.001333 -0.003908 0.001439 -0.002654 -0.000259 29O 2s 0.013540 -0.004607 -0.012453 0.005299 -0.009495 -0.001152 29O 3s -0.125720 0.040247 0.094639 -0.056992 0.101242 0.016008 29O 4s 0.311596 -0.086300 -0.105944 0.141281 -0.312404 -0.068901 29O 5s -0.508968 0.148894 -0.111651 -0.133577 0.603794 0.184219 29O 1pz -0.020697 0.011061 0.029375 0.012634 -0.016984 -0.006754 29O 1px 0.011563 -0.013224 -0.065665 0.007357 0.001599 0.011871 29O 1py -0.003113 -0.000168 -0.006919 0.014449 0.009474 -0.004150 29O 2pz 0.067259 -0.037474 -0.081417 -0.025621 0.064402 -0.033933 29O 2px -0.030605 0.030722 0.150331 -0.010351 -0.001402 -0.043430 29O 2py 0.003668 -0.001324 0.012895 -0.050143 -0.011181 0.017661 29O 3pz -0.081369 -0.018163 0.005920 0.057599 0.039286 -0.093863 29O 3px 0.169523 -0.059441 0.000805 0.055951 -0.220519 -0.064821 29O 3py 0.030935 -0.001617 -0.010966 0.040825 0.020944 -0.036143 29O 1dz2 0.000079 -0.004195 0.002857 0.004686 -0.000466 -0.003153 29O 1dxz -0.000356 0.008246 0.006488 -0.001771 0.000926 0.001878 29O 1dyz 0.001582 0.007702 -0.000266 0.003997 0.006188 -0.000340 29O 1dx2y2 -0.001157 0.002122 -0.010891 0.000634 0.000102 0.001605 29O 1dxy 0.002248 -0.002718 -0.005027 -0.000641 -0.004058 0.004074 29O 2dz2 -0.002512 0.009679 0.017406 0.016675 -0.017713 0.008868 29O 2dxz 0.004259 0.005222 0.016596 0.003357 -0.008786 -0.015785 29O 2dyz -0.013700 0.021576 0.013796 -0.000194 -0.011907 0.033682 29O 2dx2y2 -0.002385 -0.008096 -0.026211 -0.003424 0.012623 0.002555 29O 2dxy -0.001349 -0.003111 -0.016059 -0.000930 -0.002598 0.018404 29O 1f0 0.004898 -0.000392 -0.004651 0.000538 0.001343 0.003211 29O 1f+1 -0.004155 -0.002585 0.003925 -0.002223 -0.002974 0.011997 29O 1f-1 -0.004966 0.004397 0.006678 0.007653 -0.002490 -0.002553 29O 1f+2 -0.002704 0.012047 0.012077 -0.003367 0.012005 -0.004870 29O 1f-2 0.001501 0.001643 0.004423 0.001626 0.006078 -0.004935 29O 1f+3 -0.009009 0.007385 0.025419 0.000179 0.005197 -0.001691 29O 1f-3 -0.001905 0.004031 -0.000373 0.004248 0.000852 -0.005511 30O 1s 0.007988 -0.009965 0.018279 0.021302 0.018321 0.008509 30O 2s 0.034200 -0.041668 0.078721 0.090010 0.074247 0.040148 30O 3s -0.436556 0.492336 -1.073818 -1.161385 -0.915333 -0.620023 30O 4s 1.141950 -1.319889 3.238310 3.416668 2.678178 1.992884 30O 5s 0.586825 -0.319610 1.727740 2.352602 1.926530 1.397043 30O 1pz 0.102467 -0.104438 0.153331 0.220699 0.137313 0.123807 30O 1px -0.079508 0.089630 -0.202416 -0.257768 -0.192274 -0.146891 30O 1py -0.105936 0.110792 -0.178170 -0.247484 -0.134335 -0.141671 30O 2pz -0.532599 0.525294 -1.056128 -1.286591 -0.875310 -0.829710 30O 2px 0.454215 -0.454334 1.482024 1.607812 1.223710 1.088949 30O 2py 0.565258 -0.573362 1.164124 1.420762 0.874579 0.925903 30O 3pz -0.166690 0.240418 -0.535602 -0.422522 -0.430345 -0.430293 30O 3px 0.112208 -0.170939 0.628630 0.850677 0.799423 0.504743 30O 3py 0.296855 -0.358591 0.615774 0.293553 0.535952 0.399094 30O 1dz2 -0.002143 -0.003350 0.004320 -0.001194 0.008922 -0.003220 30O 1dxz 0.013609 -0.009788 0.030019 0.012663 0.018917 0.020612 30O 1dyz 0.007474 -0.017316 0.020291 0.014416 -0.002313 0.009131 30O 1dx2y2 0.019101 -0.012719 0.003657 -0.010943 -0.011583 -0.005091 30O 1dxy -0.020335 0.004840 -0.034034 -0.019386 0.001344 -0.042014 30O 2dz2 0.000327 -0.014176 -0.120516 -0.093520 -0.077169 -0.096235 30O 2dxz -0.178512 0.170332 -0.422352 -0.463883 -0.325618 -0.339025 30O 2dyz -0.225473 0.208960 -0.335804 -0.405357 -0.239684 -0.242671 30O 2dx2y2 -0.055910 0.068953 0.134250 0.088977 0.135925 0.119002 30O 2dxy 0.201718 -0.213407 0.460533 0.478439 0.337026 0.342471 30O 1f0 -0.030926 0.028418 -0.055656 -0.048701 -0.028693 -0.036390 30O 1f+1 -0.011461 0.006742 -0.000106 0.001173 0.009481 -0.008250 30O 1f-1 -0.011604 0.016637 -0.007188 -0.029493 -0.015200 0.002722 30O 1f+2 -0.025970 0.008398 -0.013221 0.012038 0.024590 -0.003403 30O 1f-2 0.063629 -0.067701 0.050992 0.068160 0.043396 0.037254 30O 1f+3 -0.051302 0.038884 -0.015396 -0.003744 0.030296 -0.029386 30O 1f-3 -0.013441 0.000358 0.019356 0.027592 0.026931 0.024924 31O 1s -0.007707 -0.010409 0.018189 -0.020947 -0.019220 0.006089 31O 2s -0.032961 -0.043504 0.078345 -0.088424 -0.078682 0.030257 31O 3s 0.421331 0.514856 -1.069144 1.139497 0.988086 -0.496351 31O 4s -1.101054 -1.381078 3.225565 -3.350551 -2.917764 1.628897 31O 5s -0.565164 -0.354714 1.715801 -2.307181 -2.091688 1.121676 31O 1pz 0.098813 0.108609 -0.153083 0.216525 0.151881 -0.105203 31O 1px -0.076482 -0.094391 0.201410 -0.253236 -0.209917 0.120419 31O 1py -0.102229 -0.115213 0.177733 -0.243133 -0.151240 0.123598 31O 2pz -0.513797 -0.548146 1.053276 -1.260592 -0.976053 0.709134 31O 2px 0.438598 0.481345 -1.475579 1.576677 1.359522 -0.918339 31O 2py 0.545605 0.597715 -1.160284 1.392841 0.987451 -0.805178 31O 3pz -0.161211 -0.250193 0.532177 -0.413742 -0.484217 0.371703 31O 3px 0.104604 0.182877 -0.623860 0.834955 0.857837 -0.392554 31O 3py 0.289292 0.373413 -0.611892 0.285766 0.584390 -0.327093 31O 1dz2 0.002524 -0.003407 0.004125 0.001248 -0.008487 -0.004586 31O 1dxz -0.013358 -0.010373 0.029874 -0.012241 -0.021712 0.017875 31O 1dyz -0.006792 -0.017539 0.020274 -0.013702 0.001002 0.009330 31O 1dx2y2 -0.018654 -0.012984 0.003660 0.010890 0.012140 -0.003502 31O 1dxy 0.020094 0.005200 -0.033945 0.018614 0.004627 -0.041825 31O 2dz2 0.000644 -0.012852 -0.119751 0.092148 0.090344 -0.084849 31O 2dxz 0.172284 0.178517 -0.420866 0.453987 0.367691 -0.293724 31O 2dyz 0.217770 0.217168 -0.334513 0.396687 0.268519 -0.209315 31O 2dx2y2 0.053102 0.068429 0.133710 -0.087653 -0.152211 0.100034 31O 2dxy -0.194560 -0.222865 0.458411 -0.468416 -0.379224 0.295295 31O 1f0 -0.029764 -0.029552 0.055405 -0.047578 -0.033363 0.032314 31O 1f+1 -0.011107 -0.006915 0.000273 0.001503 0.008225 0.009406 31O 1f-1 -0.011660 -0.017329 0.007467 -0.028923 -0.013775 -0.003931 31O 1f+2 -0.026030 -0.008837 0.013418 0.012165 0.023877 0.006646 31O 1f-2 0.061344 0.069769 -0.050667 0.066319 0.047010 -0.031661 31O 1f+3 -0.049736 -0.039662 0.015237 -0.003248 0.026066 0.033150 31O 1f-3 -0.013265 0.000016 -0.019102 0.027172 0.030168 -0.020928 32O 1s -0.003928 -0.001366 -0.003896 -0.001532 0.002633 0.000064 32O 2s -0.013521 -0.004722 -0.012403 -0.005599 0.009462 0.000030 32O 3s 0.125212 0.041326 0.093829 0.059251 -0.101807 0.002676 32O 4s -0.311469 -0.088108 -0.102979 -0.145776 0.316986 -0.026674 32O 5s 0.518551 0.147524 -0.115297 0.145080 -0.615332 0.108675 32O 1pz -0.020555 -0.011694 -0.029485 0.012539 -0.017663 0.004634 32O 1px 0.010862 0.013552 0.065866 0.007543 0.003287 -0.011729 32O 1py -0.003537 0.000161 0.006913 0.014851 0.008518 0.005453 32O 2pz 0.067786 0.039429 0.082032 -0.024366 0.058842 0.041570 32O 2px -0.029806 -0.031259 -0.151397 -0.011387 -0.008558 0.041895 32O 2py 0.005871 0.001433 -0.011953 -0.050242 -0.006918 -0.016777 32O 3pz -0.081592 0.017000 -0.006307 0.059094 0.025058 0.098234 32O 3px 0.169700 0.059913 -0.003106 0.056784 -0.226272 0.032976 32O 3py 0.034222 0.001486 0.012378 0.046669 0.017573 0.044681 32O 1dz2 0.000091 -0.004428 0.002881 -0.005002 0.001241 -0.003313 32O 1dxz 0.000392 0.008184 0.006541 0.001895 -0.001114 0.001573 32O 1dyz -0.001860 0.007604 -0.000401 -0.003923 -0.006228 -0.001163 32O 1dx2y2 0.001278 0.002039 -0.010741 -0.000895 -0.000113 0.001352 32O 1dxy -0.001886 -0.002804 -0.005039 0.000868 0.003621 0.004649 32O 2dz2 0.002383 0.008949 0.017430 -0.016635 0.016372 0.009758 32O 2dxz -0.004277 0.004874 0.016867 -0.002981 0.010898 -0.014563 32O 2dyz 0.013894 0.022192 0.014129 0.000238 0.007394 0.034838 32O 2dx2y2 0.002282 -0.008504 -0.026575 0.002886 -0.013037 -0.000304 32O 2dxy 0.001290 -0.003196 -0.016387 0.000760 -0.000278 0.017632 32O 1f0 0.005126 0.000631 0.005225 -0.000138 0.002278 -0.003403 32O 1f+1 -0.004495 0.002471 -0.003668 -0.002155 -0.001321 -0.012156 32O 1f-1 -0.004727 -0.004816 -0.006967 0.007820 -0.002296 0.002408 32O 1f+2 -0.002118 -0.011778 -0.011398 -0.003656 0.011402 0.006485 32O 1f-2 0.001850 -0.001539 -0.003945 0.001436 0.005495 0.005070 32O 1f+3 -0.008352 -0.007659 -0.025309 -0.000263 0.005829 0.002488 32O 1f-3 -0.001864 -0.004262 -0.000199 0.004227 -0.000044 0.005196 33O 1s -0.009572 -0.008569 0.015155 0.017560 -0.022484 -0.014795 33O 2s -0.039507 -0.035349 0.064712 0.074348 -0.092629 -0.065708 33O 3s 0.464977 0.403423 -0.876878 -0.967731 1.177298 0.943003 33O 4s -1.153174 -1.040279 2.650587 2.872822 -3.482243 -2.943939 33O 5s -0.301342 -0.317359 1.284239 2.149897 -2.612239 -1.801429 33O 1pz 0.133725 0.112290 -0.157018 -0.238893 0.236528 0.234339 33O 1px -0.103992 -0.095106 0.167842 0.252261 -0.272375 -0.224945 33O 1py 0.035346 0.040025 -0.027193 -0.060664 0.036070 0.052484 33O 2pz -0.649301 -0.548194 1.085170 1.405711 -1.516957 -1.518142 33O 2px 0.489225 0.431433 -1.270288 -1.565205 1.794252 1.619919 33O 2py -0.179652 -0.196557 0.159995 0.310458 -0.224773 -0.293285 33O 3pz -0.185276 -0.322732 0.560204 0.434873 -0.738545 -0.735913 33O 3px 0.081435 0.213129 -0.553720 -0.789366 1.124186 0.762043 33O 3py -0.177608 -0.190047 0.180556 -0.119361 -0.070599 -0.139415 33O 1dz2 0.012956 0.008079 -0.008490 -0.002099 -0.014036 0.009779 33O 1dxz -0.020075 -0.011136 0.034641 0.013938 -0.020600 -0.044158 33O 1dyz 0.008507 0.012979 -0.006725 0.002173 -0.003158 -0.010097 33O 1dx2y2 -0.010672 -0.007209 -0.009718 -0.021336 0.015014 0.020077 33O 1dxy -0.009963 0.001514 0.008509 0.005047 0.003234 -0.021055 33O 2dz2 -0.148226 -0.111277 0.071078 0.090308 -0.067677 -0.096782 33O 2dxz 0.258904 0.221089 -0.478143 -0.563208 0.623751 0.639541 33O 2dyz -0.109736 -0.088787 0.074288 0.114974 -0.086941 -0.089659 33O 2dx2y2 -0.071616 -0.062709 0.287174 0.314971 -0.393896 -0.372879 33O 2dxy 0.098787 0.116200 -0.070136 -0.091563 0.077138 0.080525 33O 1f0 0.017633 0.005691 0.004211 0.021616 -0.039685 -0.005097 33O 1f+1 -0.072851 -0.050476 0.033317 0.020924 -0.007976 -0.059980 33O 1f-1 0.025758 0.008496 -0.033364 -0.021058 0.008122 0.026837 33O 1f+2 0.026722 0.032701 -0.028852 -0.051373 0.054374 0.047848 33O 1f-2 -0.053281 -0.048075 0.014389 0.019270 -0.012750 -0.022144 33O 1f+3 0.005672 0.010034 -0.018661 -0.027489 0.044008 0.021571 33O 1f-3 -0.009617 -0.006176 0.001006 -0.001861 0.016086 -0.014571 34O 1s -0.012690 -0.003713 0.010811 -0.008541 -0.001554 0.000977 34O 2s -0.048136 -0.007633 0.044070 -0.029793 -0.005968 0.004114 34O 3s 0.537521 -0.040350 -0.572415 0.287385 0.071510 -0.082790 34O 4s -1.346057 0.354855 1.560067 -0.645815 -0.187937 0.182371 34O 5s -1.182297 0.459979 0.851990 0.081582 0.307311 0.457976 34O 1pz -0.008776 -0.007173 -0.003140 0.010404 0.042386 0.000109 34O 1px 0.178016 0.007627 -0.145311 0.066800 0.048684 -0.067745 34O 1py -0.045082 -0.004416 0.056465 -0.040396 -0.047368 0.036920 34O 2pz 0.072682 0.032285 -0.024946 -0.060284 -0.190388 -0.018195 34O 2px -0.931461 0.316714 0.977883 -0.245370 -0.157130 0.386170 34O 2py 0.174110 -0.099951 -0.289876 0.180967 0.216165 -0.149935 34O 3pz 0.037946 -0.166092 0.134577 -0.222942 0.023844 0.065685 34O 3px -0.674433 0.031895 0.519817 -0.245433 0.247848 0.260190 34O 3py 0.213440 0.146500 -0.258413 0.293653 0.032946 -0.180405 34O 1dz2 0.001346 0.025988 0.001511 0.013538 -0.007633 -0.001311 34O 1dxz -0.011771 -0.011034 -0.002472 0.004178 0.011881 0.002211 34O 1dyz 0.018306 0.006969 -0.016594 0.009895 0.012235 -0.032303 34O 1dx2y2 0.001936 -0.017128 -0.019583 0.002918 -0.001599 -0.012936 34O 1dxy 0.021987 0.033192 0.014002 0.001698 -0.007853 -0.006562 34O 2dz2 0.155131 -0.065166 -0.200616 0.054768 0.028366 -0.083760 34O 2dxz 0.068857 0.029224 -0.021972 -0.017237 -0.062661 -0.062875 34O 2dyz 0.015845 -0.005694 -0.011889 -0.000676 0.015316 -0.000660 34O 2dx2y2 -0.254913 0.084402 0.280148 -0.071596 -0.025357 0.134968 34O 2dxy 0.073947 -0.112883 -0.164475 0.052392 0.086783 -0.047683 34O 1f0 0.001649 0.008270 0.006188 0.017199 0.002400 0.004485 34O 1f+1 -0.025601 -0.005079 0.032124 -0.025533 -0.014180 0.011969 34O 1f-1 -0.001031 -0.014770 -0.018814 0.017332 0.032933 -0.005787 34O 1f+2 -0.031116 -0.021083 -0.002623 0.025388 0.037821 0.000316 34O 1f-2 -0.018612 -0.043659 0.009573 -0.056322 -0.032590 -0.024805 34O 1f+3 -0.007901 0.015813 0.004060 -0.005793 0.000006 0.000386 34O 1f-3 0.002752 -0.019325 -0.045726 0.033466 0.036963 -0.027374 35O 1s -0.012761 -0.003464 0.010027 0.006405 -0.002717 -0.007979 35O 2s -0.046471 -0.007346 0.040998 0.022321 -0.009715 -0.032697 35O 3s 0.475737 -0.032509 -0.529052 -0.218638 0.106033 0.439320 35O 4s -1.130929 0.292623 1.443521 0.496287 -0.245188 -1.191609 35O 5s -0.759028 0.402258 0.754603 -0.100895 0.386167 -0.971078 35O 1pz 0.023140 0.001625 -0.030615 -0.019103 0.057515 0.049684 35O 1px 0.153420 0.006822 -0.116949 -0.030819 0.024355 0.160919 35O 1py 0.052030 -0.003158 -0.057959 -0.034522 0.046508 0.088886 35O 2pz -0.051900 0.061712 0.133104 0.110640 -0.263368 -0.218115 35O 2px -0.695753 0.255941 0.801448 0.122472 -0.061240 -0.945884 35O 2py -0.220707 0.150629 0.370515 0.161122 -0.189290 -0.473156 35O 3pz -0.114059 -0.189391 0.208735 0.298722 -0.055999 -0.231221 35O 3px -0.459102 0.025795 0.398455 0.103857 0.214944 -0.487727 35O 3py -0.351724 -0.056849 0.257126 0.134684 0.003842 -0.387870 35O 1dz2 -0.007381 0.017508 0.008825 -0.003505 -0.011822 -0.030643 35O 1dxz -0.021517 -0.022974 -0.014079 -0.006244 0.016583 0.008598 35O 1dyz -0.014970 -0.018588 0.007558 0.014017 -0.002607 -0.025071 35O 1dx2y2 -0.000264 -0.011074 -0.008579 0.002201 -0.008925 0.005626 35O 1dxy -0.021114 -0.023566 -0.013688 -0.002878 0.002858 0.001241 35O 2dz2 0.101267 -0.046205 -0.151279 -0.040915 0.008617 0.174512 35O 2dxz 0.018731 0.064933 0.072659 0.039234 -0.084473 -0.041221 35O 2dyz -0.000458 0.033017 0.050708 0.021265 -0.045703 -0.030987 35O 2dx2y2 -0.172910 0.037393 0.186762 0.018734 0.017354 -0.239601 35O 2dxy -0.118081 0.111055 0.213181 0.062019 -0.074290 -0.244401 35O 1f0 -0.002733 0.010473 0.019158 0.014534 -0.030359 -0.026482 35O 1f+1 0.000089 0.022122 0.005662 -0.016219 0.021345 -0.018916 35O 1f-1 0.024158 0.015037 0.002645 0.034169 -0.043850 -0.013091 35O 1f+2 -0.038802 -0.042077 -0.012575 0.009085 0.005241 0.019713 35O 1f-2 0.015091 0.016107 -0.027720 -0.047625 0.045951 0.023736 35O 1f+3 -0.023058 -0.013772 0.003108 -0.000915 0.012040 -0.002907 35O 1f-3 -0.027846 0.001065 0.035471 0.028821 -0.026841 -0.040408 606 607 608 609 610 611 4.57351 4.59202 4.61591 4.63351 4.76278 4.76494 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s 0.000305 -0.000041 0.007669 -0.001474 0.001050 0.000763 0Rh 2s -0.003526 0.000585 -0.066018 0.012739 -0.009141 -0.006869 0Rh 3s -0.000281 0.000104 0.006525 -0.001224 0.000844 0.000482 0Rh 4s 0.020182 -0.003357 0.381151 -0.073626 0.053160 0.039892 0Rh 5s -0.052571 0.009317 -0.927393 0.179806 -0.131421 -0.099259 0Rh 6s 0.075172 -0.016392 0.989550 -0.194773 0.144451 0.112677 0Rh 7s 0.046766 0.008514 -2.030743 0.427782 -0.326423 -0.283253 0Rh 8s -0.163775 0.036981 -0.179371 0.055466 0.038280 -0.046306 0Rh 1pz -0.002821 0.000449 -0.004231 0.002251 0.016779 0.014229 0Rh 1px 0.001914 -0.000043 -0.003391 -0.000552 0.002336 0.008115 0Rh 1py -0.000637 0.000836 0.001702 0.004671 0.016487 -0.016810 0Rh 2pz 0.011130 -0.001718 0.016940 -0.009024 -0.067838 -0.057617 0Rh 2px -0.007757 0.000205 0.013995 0.002139 -0.009414 -0.032777 0Rh 2py 0.002612 -0.003188 -0.006778 -0.018839 -0.066718 0.067967 0Rh 3pz -0.024997 0.002373 -0.044379 0.023691 0.190919 0.164115 0Rh 3px 0.022448 -0.001224 -0.045655 -0.004155 0.025827 0.091535 0Rh 3py -0.008366 0.004404 0.016848 0.052067 0.189050 -0.191229 0Rh 4pz -0.001537 0.008816 0.033355 -0.016960 -0.195618 -0.175936 0Rh 4px -0.025464 0.003280 0.069560 -0.001783 -0.023842 -0.091457 0Rh 4py 0.013244 0.015087 -0.008499 -0.048733 -0.198581 0.195277 0Rh 5pz 0.079631 -0.036824 0.022399 -0.015166 0.077175 0.089697 0Rh 5px 0.003433 -0.002797 -0.097560 0.014955 0.000451 0.030402 0Rh 5py -0.020751 -0.058548 -0.021432 0.005117 0.089438 -0.073167 0Rh 6pz -0.222840 0.086310 -0.630998 0.167107 -0.302636 -0.375184 0Rh 6px 0.209662 -0.039003 1.907052 -0.348366 0.211601 0.064132 0Rh 6py 0.095675 0.072528 0.381192 -0.030229 -0.245227 0.235625 0Rh 1dz2 0.009620 -0.002790 0.002959 -0.015122 0.004743 0.005118 0Rh 1dxz 0.006595 -0.004091 0.014500 -0.003584 -0.004686 -0.004798 0Rh 1dyz 0.002275 -0.005871 -0.008665 -0.034756 0.004994 -0.003673 0Rh 1dx2y2 -0.015905 0.001802 -0.019564 -0.000051 0.000312 -0.006858 0Rh 1dxy -0.001845 0.000804 -0.009958 -0.012402 -0.005456 0.002657 0Rh 2dz2 0.001708 0.000154 -0.000153 -0.000352 0.001062 0.000933 0Rh 2dxz -0.000875 0.000291 0.000810 -0.000455 -0.001432 -0.000967 0Rh 2dyz 0.000700 0.001218 -0.000278 -0.001116 0.000601 -0.000740 0Rh 2dx2y2 -0.001469 0.000011 -0.000293 0.000215 0.000027 -0.001314 0Rh 2dxy 0.000702 0.001934 -0.000426 -0.000874 -0.001442 0.001290 0Rh 3dz2 -0.048187 0.010803 -0.011728 0.065933 -0.025707 -0.026612 0Rh 3dxz -0.023280 0.015784 -0.065343 0.017427 0.027195 0.025372 0Rh 3dyz -0.012992 0.018620 0.037906 0.152986 -0.024613 0.019481 0Rh 3dx2y2 0.073124 -0.007566 0.084357 -0.000829 -0.001430 0.036064 0Rh 3dxy 0.004242 -0.012537 0.044345 0.056902 0.030544 -0.017683 0Rh 4dz2 0.085164 -0.015073 0.016618 -0.113700 0.053215 0.051285 0Rh 4dxz 0.027415 -0.022106 0.113142 -0.032513 -0.057276 -0.048879 0Rh 4dyz 0.025586 -0.020526 -0.064673 -0.265702 0.049020 -0.040261 0Rh 4dx2y2 -0.119968 0.010618 -0.139771 0.002660 0.002391 -0.072214 0Rh 4dxy 0.000282 0.032535 -0.077665 -0.103412 -0.061507 0.039311 0Rh 5dz2 -0.077534 0.068795 0.015823 0.301861 -0.132084 -0.059046 0Rh 5dxz -0.025009 0.022265 -0.187629 0.055722 0.103599 0.054365 0Rh 5dyz 0.008066 0.154759 0.177897 0.712037 -0.163593 0.122572 0Rh 5dx2y2 0.136124 0.015902 0.216368 0.027624 -0.007025 0.141963 0Rh 5dxy 0.000435 0.013525 0.169128 0.294049 0.066090 -0.052369 0Rh 1f0 0.002635 0.007624 -0.005127 0.005467 -0.001917 0.008923 0Rh 1f+1 0.007321 -0.011881 0.000265 -0.009157 0.005910 0.001878 0Rh 1f-1 0.001790 0.013335 0.003730 0.008499 -0.014657 -0.000487 0Rh 1f+2 0.010161 0.006801 0.010178 0.001341 -0.000417 0.014842 0Rh 1f-2 -0.008248 -0.019774 0.000079 -0.014146 -0.003015 0.000049 0Rh 1f+3 0.010087 0.002125 0.007697 -0.002616 -0.000188 -0.000281 0Rh 1f-3 0.009384 0.004533 0.008163 0.008877 0.002608 -0.001159 1Rh 1s 0.000026 0.000081 -0.007708 0.001466 -0.001066 -0.000797 1Rh 2s -0.001138 -0.000470 0.066352 -0.012691 0.009283 0.007149 1Rh 3s -0.000522 0.000205 -0.006559 0.001208 -0.000857 -0.000514 1Rh 4s 0.006430 0.002725 -0.383079 0.073346 -0.053990 -0.041521 1Rh 5s -0.019330 -0.005438 0.932062 -0.179180 0.133465 0.103234 1Rh 6s 0.040344 -0.000793 -0.994401 0.194403 -0.146629 -0.116720 1Rh 7s 0.115939 -0.020672 2.031003 -0.424084 0.328359 0.286016 1Rh 8s -0.157766 0.036324 0.183226 -0.060548 -0.036826 0.048241 1Rh 1pz 0.002830 -0.000427 -0.004320 0.002314 0.016736 0.014185 1Rh 1px -0.002201 0.000142 -0.003317 -0.000529 0.002313 0.008076 1Rh 1py 0.000599 -0.000701 0.001711 0.004741 0.016416 -0.016755 1Rh 2pz -0.011172 0.001630 0.017290 -0.009272 -0.067666 -0.057442 1Rh 2px 0.008922 -0.000605 0.013702 0.002046 -0.009319 -0.032614 1Rh 2py -0.002456 0.002643 -0.006814 -0.019112 -0.066433 0.067747 1Rh 3pz 0.025161 -0.002155 -0.045158 0.024276 0.190478 0.163682 1Rh 3px -0.025938 0.002354 -0.044943 -0.003894 0.025528 0.091012 1Rh 3py 0.007895 -0.002879 0.016907 0.052652 0.188292 -0.190667 1Rh 4pz 0.001276 -0.008953 0.033316 -0.017072 -0.195341 -0.175727 1Rh 4px 0.029968 -0.004500 0.069208 -0.002110 -0.023415 -0.090698 1Rh 4py -0.012637 -0.016670 -0.008406 -0.048584 -0.198004 0.194933 1Rh 5pz -0.079258 0.036636 0.024606 -0.016617 0.077565 0.090248 1Rh 5px -0.008442 0.003742 -0.098421 0.015647 -0.000059 0.029588 1Rh 5py 0.020143 0.059449 -0.021875 0.003065 0.089811 -0.073639 1Rh 6pz 0.202587 -0.079113 -0.632673 0.172571 -0.301926 -0.376855 1Rh 6px -0.130145 0.014433 1.911474 -0.354533 0.213585 0.065599 1Rh 6py -0.083596 -0.081988 0.383113 -0.026282 -0.246394 0.235572 1Rh 1dz2 0.009495 -0.002362 -0.003032 0.015337 -0.004606 -0.005095 1Rh 1dxz 0.006063 -0.003985 -0.014563 0.003730 0.004811 0.004814 1Rh 1dyz 0.002206 -0.004932 0.008655 0.035052 -0.005183 0.003633 1Rh 1dx2y2 -0.015318 0.001841 0.019603 -0.000224 -0.000142 0.006761 1Rh 1dxy -0.001689 0.001094 0.010018 0.012540 0.005478 -0.002654 1Rh 2dz2 0.001712 0.000150 0.000133 0.000382 -0.001077 -0.000940 1Rh 2dxz -0.000901 0.000294 -0.000784 0.000444 0.001433 0.000963 1Rh 2dyz 0.000695 0.001249 0.000283 0.001142 -0.000629 0.000730 1Rh 2dx2y2 -0.001458 0.000019 0.000308 -0.000230 -0.000024 0.001319 1Rh 2dxy 0.000702 0.001956 0.000424 0.000851 0.001438 -0.001291 1Rh 3dz2 -0.047677 0.009016 0.012131 -0.066985 0.025187 0.026548 1Rh 3dxz -0.020919 0.015320 0.065483 -0.017993 -0.027738 -0.025417 1Rh 3dyz -0.012673 0.014514 -0.037886 -0.154364 0.025568 -0.019257 1Rh 3dx2y2 0.070602 -0.007760 -0.084592 0.002060 0.000674 -0.035672 1Rh 3dxy 0.003587 -0.013866 -0.044588 -0.057385 -0.030617 0.017669 1Rh 4dz2 0.084351 -0.012176 -0.017386 0.115600 -0.052496 -0.051272 1Rh 4dxz 0.023535 -0.021370 -0.113186 0.033318 0.058173 0.048884 1Rh 4dyz 0.025035 -0.013566 0.064675 0.268150 -0.050851 0.039769 1Rh 4dx2y2 -0.115883 0.011014 0.140259 -0.004683 -0.001093 0.071642 1Rh 4dxy 0.001335 0.034921 0.078040 0.104084 0.061591 -0.039282 1Rh 5dz2 -0.076133 0.061711 -0.014930 -0.305358 0.131855 0.059676 1Rh 5dxz -0.020527 0.021974 0.188123 -0.056729 -0.104326 -0.053765 1Rh 5dyz 0.008363 0.136958 -0.178171 -0.717904 0.166243 -0.121050 1Rh 5dx2y2 0.130850 0.013754 -0.217615 -0.025425 0.005203 -0.141826 1Rh 5dxy -0.001086 0.006472 -0.169747 -0.296091 -0.066062 0.052196 1Rh 1f0 -0.002866 -0.007527 -0.005193 0.005497 -0.001908 0.008858 1Rh 1f+1 -0.007125 0.011462 0.000514 -0.009283 0.005917 0.001966 1Rh 1f-1 -0.001582 -0.013222 0.003778 0.008754 -0.014619 -0.000525 1Rh 1f+2 -0.010051 -0.006727 0.010349 0.001566 -0.000465 0.014885 1Rh 1f-2 0.008265 0.019232 0.000034 -0.014277 -0.003087 0.000121 1Rh 1f+3 -0.009608 -0.002269 0.008001 -0.002489 -0.000175 -0.000203 1Rh 1f-3 -0.009191 -0.004176 0.008357 0.008776 0.002718 -0.001178 2C 1s -0.005255 0.001263 -0.001518 0.001169 -0.023366 -0.004668 2C 2s -0.002391 -0.005788 -0.001940 0.000605 -0.004252 -0.001105 2C 3s -0.249222 0.351562 0.020971 -0.054849 -2.324782 -0.475692 2C 4s 0.258577 0.015923 -0.603060 1.267992 11.691726 2.415685 2C 5s -1.576678 2.253518 -0.533696 1.455401 -4.526227 -0.681439 2C 1pz -0.006380 0.029896 0.017737 -0.043273 -0.257526 -0.058265 2C 1px -0.028173 0.056354 -0.013007 0.053962 -0.044794 -0.007778 2C 1py -0.007444 0.023812 0.008493 -0.014152 -0.178381 -0.034413 2C 2pz -1.483432 1.996015 -1.194627 2.269818 5.328364 1.188647 2C 2px 0.253603 -0.531474 -0.068289 -0.368186 0.885887 0.180266 2C 2py -0.891762 1.157261 -0.751299 1.309947 3.632723 0.752618 2C 3pz -0.071998 0.199523 -0.036267 0.125609 -0.282204 -0.023225 2C 3px -0.060053 0.085788 0.025555 0.096232 -0.007638 0.020814 2C 3py -0.072968 0.185908 -0.022192 0.132567 -0.206209 -0.011561 2C 1dz2 -0.088828 0.100383 -0.070430 0.091878 0.221663 0.045837 2C 1dxz -0.131612 0.169053 -0.045670 0.180845 0.104111 0.026876 2C 1dyz -0.122841 0.158445 -0.108740 0.148061 0.333585 0.073970 2C 1dx2y2 0.090554 -0.107654 0.043061 -0.115284 -0.088831 -0.026545 2C 1dxy -0.074928 0.116539 -0.034931 0.116816 0.068574 0.021560 2C 2dz2 -0.356664 0.502235 -0.309735 0.558287 1.181754 0.271984 2C 2dxz -0.396830 0.656979 -0.206064 0.497795 0.649117 0.139395 2C 2dyz -0.346570 0.366997 -0.368811 0.526426 1.744755 0.368883 2C 2dx2y2 0.412143 -0.696895 0.239775 -0.609298 -0.594747 -0.124312 2C 2dxy -0.095590 0.089288 -0.063820 0.123374 0.330576 0.079865 2C 1f0 0.140881 -0.173761 0.019283 -0.112923 0.205702 0.040923 2C 1f+1 -0.036034 0.081284 -0.021317 0.045432 0.145945 0.030437 2C 1f-1 0.012486 0.027128 -0.051194 0.119786 0.733708 0.150796 2C 1f+2 -0.254954 0.291979 -0.063960 0.175660 -0.557823 -0.100862 2C 1f-2 0.174838 -0.153432 0.104660 -0.098005 0.557008 0.104260 2C 1f+3 -0.277982 0.335285 -0.132244 0.234932 -0.200166 -0.032082 2C 1f-3 -0.005045 -0.004384 -0.043055 -0.003541 -0.054072 -0.015109 3C 1s -0.002154 0.000369 -0.001676 0.000180 0.004551 -0.023293 3C 2s 0.005133 0.005303 -0.001219 0.000226 0.001025 -0.004201 3C 3s -0.373486 -0.212305 0.005693 0.073292 0.456774 -2.324090 3C 4s 0.093068 -0.054537 -0.901899 -0.835287 -2.290084 11.713242 3C 5s -1.754229 -1.511877 -1.216080 -0.644829 0.753837 -4.463159 3C 1pz 0.000462 0.003433 0.031755 0.027191 0.028453 -0.164115 3C 1px -0.048594 -0.028813 -0.031791 -0.030131 0.021924 -0.096280 3C 1py 0.043398 0.030335 -0.021948 -0.024106 -0.053034 0.255841 3C 2pz -1.432741 -0.907478 -1.268599 -0.829576 -0.610821 3.355021 3C 2px 0.050667 -0.005116 -0.184647 0.073728 -0.399522 1.959731 3C 2py 1.853370 1.005699 1.802620 1.141348 1.049282 -5.323805 3C 3pz -0.089469 -0.107839 -0.092610 -0.026701 0.021069 -0.211278 3C 3px -0.097819 -0.082212 -0.065766 -0.098386 0.009200 -0.086173 3C 3py 0.032596 0.184050 0.093298 0.060500 -0.024487 0.261366 3C 1dz2 0.089616 0.052554 0.065238 0.045874 0.012388 -0.076553 3C 1dxz -0.179449 -0.087081 -0.128482 -0.117526 -0.017159 0.101608 3C 1dyz 0.111881 0.062653 0.103884 0.034235 0.062653 -0.294399 3C 1dx2y2 0.105196 0.064037 0.096026 0.038671 0.042378 -0.222312 3C 1dxy 0.175549 0.102788 0.135805 0.103448 0.032826 -0.198393 3C 2dz2 0.047919 0.000628 0.071080 0.056623 0.082205 -0.325282 3C 2dxz -0.670874 -0.379498 -0.467372 -0.354841 -0.105829 0.633052 3C 2dyz 0.215082 0.069278 0.376406 0.191641 0.292836 -1.502159 3C 2dx2y2 0.682362 0.455332 0.589239 0.363016 0.237470 -1.242652 3C 2dxy 0.472080 0.304769 0.369460 0.203750 0.210255 -1.077714 3C 1f0 0.191435 0.125069 0.167128 0.095452 0.050929 -0.262664 3C 1f+1 0.143185 0.084243 0.065423 0.061895 -0.004515 0.032310 3C 1f-1 0.141571 0.055165 0.115008 0.056148 -0.031466 0.138878 3C 1f+2 -0.369668 -0.187218 -0.149799 -0.051285 0.157746 -0.812650 3C 1f-2 -0.220619 -0.109706 -0.126520 -0.052775 0.116146 -0.606246 3C 1f+3 -0.154288 -0.088836 -0.094645 -0.090535 -0.065263 0.356664 3C 1f-3 -0.027136 -0.008162 0.047762 -0.025593 0.023556 -0.087589 4C 1s 0.010197 -0.022737 0.003839 -0.008965 0.010893 0.002484 4C 2s 0.028780 -0.056602 0.013978 -0.028611 -0.003288 -0.000590 4C 3s -0.118913 -0.521190 -0.154583 0.202550 1.782390 0.453300 4C 4s 0.047118 3.590081 0.592039 -0.579317 -8.935017 -2.230962 4C 5s 0.592244 -0.627951 0.210905 -0.493016 1.493119 0.150632 4C 1pz 0.098127 -0.135379 0.055049 -0.117008 -0.291542 -0.055331 4C 1px 0.038954 -0.054264 0.069044 -0.081618 -0.038770 -0.008536 4C 1py 0.068618 -0.094014 0.051808 -0.097843 -0.185097 -0.049459 4C 2pz -0.907243 2.541518 -0.250935 0.778919 6.259408 1.133802 4C 2px -2.037440 2.391847 -3.440673 5.629570 -0.012004 0.239370 4C 2py -1.296821 2.417942 -1.414476 2.568719 3.692712 0.815560 4C 3pz -0.258365 0.789319 0.041686 0.464852 -0.925979 -0.110032 4C 3px -0.071565 0.163010 -0.278434 -0.019845 -0.109227 -0.029652 4C 3py -0.159025 0.516861 -0.074433 0.246787 -0.616620 -0.048312 4C 1dz2 0.088492 -0.182318 0.142499 -0.253239 -0.186152 -0.042677 4C 1dxz -0.121646 0.013154 -0.161781 0.288688 -0.140987 -0.004759 4C 1dyz -0.034696 0.053958 0.017418 -0.034329 -0.361469 -0.071873 4C 1dx2y2 -0.061754 0.286184 -0.059926 0.120945 0.083555 -0.002184 4C 1dxy -0.157525 0.275439 -0.163510 0.304535 -0.122965 -0.021220 4C 2dz2 0.776314 -1.133258 0.885741 -1.547850 -1.220990 -0.282328 4C 2dxz -0.043828 -0.545557 -0.613430 0.834670 -1.133030 -0.131897 4C 2dyz 0.491214 -0.543208 0.440872 -0.755678 -2.144580 -0.491439 4C 2dx2y2 -0.634501 1.443549 -0.432415 0.891484 0.699234 0.119624 4C 2dxy -0.386274 0.721385 -0.689829 1.140388 -0.716876 -0.124001 4C 1f0 -0.037440 -0.007536 -0.018954 0.081665 0.068044 0.024264 4C 1f+1 0.068775 -0.267466 -0.012638 -0.084225 0.112704 0.034683 4C 1f-1 -0.069416 0.106170 0.001286 0.037276 0.665887 0.137855 4C 1f+2 0.129496 -0.036134 0.187600 -0.335595 -0.209242 -0.075388 4C 1f-2 -0.076651 0.078800 -0.199085 0.238899 0.154279 0.044820 4C 1f+3 0.132102 -0.109575 0.132240 -0.280168 0.181140 0.018017 4C 1f-3 0.164545 -0.316830 0.212588 -0.385443 0.087329 0.019718 5C 1s 0.022467 0.014366 0.008180 0.003805 -0.002447 0.011021 5C 2s 0.056628 0.035396 0.026162 0.013402 0.000132 -0.003321 5C 3s 0.396231 0.413622 -0.140399 -0.125209 -0.404839 1.812473 5C 4s -3.056035 -2.693375 0.284319 0.421282 2.015037 -9.094863 5C 5s 0.460183 0.392185 0.370349 0.287112 -0.200516 1.460744 5C 1pz 0.073712 0.040233 0.039058 0.026045 0.041218 -0.174141 5C 1px 0.070242 0.040174 0.111652 0.046793 0.020013 -0.088746 5C 1py -0.146122 -0.084556 -0.098595 -0.068651 -0.047123 0.292100 5C 2pz -1.252362 -0.949810 0.546616 0.257857 -0.744429 3.791810 5C 2px -2.664830 -1.501214 -6.332834 -3.546179 -0.169089 1.183275 5C 2py 2.660953 1.853819 1.075908 0.713734 1.092386 -6.104452 5C 3pz -0.146616 -0.384493 -0.103413 -0.143914 0.076677 -0.579380 5C 3px -0.097083 -0.236806 -0.281594 0.110639 -0.020359 -0.296076 5C 3py 0.311075 0.640333 0.296536 0.192899 -0.146968 0.907730 5C 1dz2 0.220132 0.157406 0.178017 0.094729 -0.029509 0.092667 5C 1dxz 0.061106 0.075565 -0.122465 -0.081120 0.018458 -0.130019 5C 1dyz 0.051119 0.040444 -0.155146 -0.101705 -0.060223 0.309125 5C 1dx2y2 -0.293972 -0.212554 -0.305963 -0.184336 -0.021606 0.167528 5C 1dxy 0.115725 0.030547 0.313374 0.183638 -0.046597 0.239951 5C 2dz2 0.622520 0.418748 0.687805 0.364737 -0.120056 0.542768 5C 2dxz 0.764989 0.575293 -0.246442 -0.102509 0.168837 -0.945269 5C 2dyz -0.399275 -0.137220 -1.112876 -0.655646 -0.359380 1.728016 5C 2dx2y2 -1.676473 -1.066200 -1.768301 -0.980386 -0.199096 1.279397 5C 2dxy -0.339921 -0.230153 1.020982 0.533858 -0.315631 1.619430 5C 1f0 0.083481 0.066027 -0.139790 -0.083258 0.086878 -0.448706 5C 1f+1 0.226645 0.158111 0.323667 0.188438 -0.018358 0.021816 5C 1f-1 -0.008705 0.011872 -0.122106 -0.051238 0.020360 -0.103870 5C 1f+2 0.224781 0.132644 0.240021 0.180432 0.072623 -0.386893 5C 1f-2 0.030724 -0.018646 0.424725 0.221174 0.055688 -0.243800 5C 1f+3 0.227075 0.134077 0.189540 0.134837 -0.085028 0.362273 5C 1f-3 -0.114146 -0.104502 -0.075267 0.003777 0.029276 -0.149604 6C 1s 0.022609 0.014284 -0.008523 -0.003974 0.002433 -0.010977 6C 2s 0.056856 0.035095 -0.027150 -0.013917 -0.000134 0.003366 6C 3s 0.404487 0.415016 0.141867 0.128182 0.400691 -1.808857 6C 4s -3.100798 -2.695469 -0.273411 -0.428149 -1.994329 9.075390 6C 5s 0.466648 0.379262 -0.387715 -0.311319 0.205681 -1.465715 6C 1pz -0.074212 -0.039468 0.040924 0.026933 0.041167 -0.173921 6C 1px -0.068625 -0.039679 0.113471 0.047649 0.019950 -0.088451 6C 1py 0.146067 0.082913 -0.102213 -0.070383 -0.047230 0.291702 6C 2pz 1.299432 0.949010 0.522123 0.246770 -0.746702 3.792249 6C 2px 2.514315 1.434991 -6.388432 -3.573499 -0.164613 1.170554 6C 2py -2.686535 -1.833814 1.133137 0.740570 1.095245 -6.101198 6C 3pz 0.153901 0.381108 -0.110077 -0.164071 0.081068 -0.576544 6C 3px 0.089969 0.242291 -0.285899 0.098597 -0.017735 -0.292882 6C 3py -0.317290 -0.636957 0.307730 0.226811 -0.154499 0.902902 6C 1dz2 0.217958 0.155062 -0.181125 -0.096171 0.029195 -0.092772 6C 1dxz 0.065935 0.076692 0.122187 0.081291 -0.018976 0.130233 6C 1dyz 0.056164 0.042225 0.155255 0.102111 0.059722 -0.308373 6C 1dx2y2 -0.289660 -0.208640 0.310427 0.186416 0.021929 -0.167504 6C 1dxy 0.108146 0.027639 -0.316084 -0.184879 0.046957 -0.240430 6C 2dz2 0.611552 0.411284 -0.697109 -0.368462 0.119438 -0.543018 6C 2dxz 0.790702 0.575691 0.232215 0.095077 -0.170430 0.948086 6C 2dyz -0.374234 -0.124117 1.127757 0.663583 0.356391 -1.722351 6C 2dx2y2 -1.654897 -1.046127 1.801144 0.996018 0.199495 -1.276122 6C 2dxy -0.382032 -0.238714 -1.012654 -0.530491 0.317465 -1.623066 6C 1f0 -0.089481 -0.066979 -0.138405 -0.083001 0.087308 -0.449041 6C 1f+1 -0.221294 -0.154649 0.327202 0.190185 -0.018312 0.022277 6C 1f-1 0.003973 -0.012422 -0.122428 -0.051320 0.020158 -0.103866 6C 1f+2 -0.223261 -0.128754 0.245751 0.183605 0.072362 -0.386291 6C 1f-2 -0.017710 0.022459 0.427432 0.222869 0.054609 -0.241701 6C 1f+3 -0.225974 -0.131312 0.191971 0.135106 -0.084554 0.361966 6C 1f-3 0.112398 0.103959 -0.075769 0.003600 0.028790 -0.148991 7C 1s 0.010317 -0.022704 -0.004096 0.009430 -0.010850 -0.002454 7C 2s 0.028893 -0.056310 -0.014716 0.029939 0.003253 0.000529 7C 3s -0.106745 -0.531026 0.156733 -0.204490 -1.772456 -0.445225 7C 4s -0.015981 3.634941 -0.590112 0.567147 8.885685 2.193010 7C 5s 0.590383 -0.618783 -0.224917 0.526658 -1.497606 -0.145520 7C 1pz -0.097204 0.132816 0.057667 -0.121418 -0.289799 -0.053623 7C 1px -0.037055 0.052444 0.070097 -0.083301 -0.038109 -0.008046 7C 1py -0.068094 0.092911 0.054079 -0.101825 -0.185161 -0.048692 7C 2pz 0.937821 -2.550503 -0.280734 0.844157 6.232427 1.101938 7C 2px 1.895737 -2.216465 -3.493314 5.701221 -0.032323 0.229416 7C 2py 1.268137 -2.368999 -1.456147 2.643299 3.697128 0.798803 7C 3pz 0.267942 -0.783179 0.036896 0.498419 -0.933234 -0.114300 7C 3px 0.063022 -0.160362 -0.279796 -0.013698 -0.107360 -0.030930 7C 3py 0.163180 -0.518399 -0.078449 0.272259 -0.621824 -0.052217 7C 1dz2 0.083951 -0.176209 -0.144855 0.257409 0.184111 0.041337 7C 1dxz -0.113464 0.003224 0.164399 -0.291532 0.140628 0.004261 7C 1dyz -0.036060 0.055959 -0.016965 0.033813 0.361239 0.070524 7C 1dx2y2 -0.062054 0.284099 0.061724 -0.125088 -0.085206 0.002388 7C 1dxy -0.152781 0.267638 0.168106 -0.311290 0.122638 0.021034 7C 2dz2 0.748200 -1.093094 -0.904792 1.577769 1.203536 0.271562 7C 2dxz -0.002819 -0.585739 0.612721 -0.824174 1.128962 0.126852 7C 2dyz 0.482162 -0.528931 -0.457018 0.784529 2.140758 0.481764 7C 2dx2y2 -0.635893 1.433351 0.451191 -0.926030 -0.706066 -0.116231 7C 2dxy -0.362726 0.689889 0.702430 -1.160693 0.717236 0.122549 7C 1f0 0.036224 0.010223 -0.019860 0.082472 0.062793 0.023045 7C 1f+1 -0.073459 0.268270 -0.010092 -0.089609 0.109345 0.033538 7C 1f-1 0.071477 -0.106834 -0.000672 0.041398 0.663573 0.134596 7C 1f+2 -0.121824 0.026680 0.192129 -0.341801 -0.209478 -0.074505 7C 1f-2 0.067088 -0.069269 -0.201149 0.242058 0.152252 0.043486 7C 1f+3 -0.126141 0.100672 0.134830 -0.282725 0.181311 0.017612 7C 1f-3 -0.159017 0.307703 0.216710 -0.392020 0.089392 0.020312 8C 1s -0.002141 0.000341 0.001797 -0.000090 -0.004563 0.023295 8C 2s 0.005230 0.005258 0.001256 -0.000186 -0.001043 0.004214 8C 3s -0.377504 -0.214066 0.000389 -0.069397 -0.456094 2.322736 8C 4s 0.107303 -0.034628 0.906052 0.833798 2.287348-11.705401 8C 5s -1.764237 -1.494859 1.267209 0.713966 -0.767347 4.460993 8C 1pz 0.000169 -0.002747 0.032049 0.027607 0.028308 -0.163829 8C 1px 0.048940 0.028529 -0.032752 -0.030529 0.021757 -0.095982 8C 1py -0.043917 -0.030700 -0.021840 -0.024290 -0.052720 0.255731 8C 2pz 1.428115 0.887634 -1.305131 -0.851337 -0.608642 3.347957 8C 2px -0.064689 0.002063 -0.187799 0.071054 -0.397199 1.952869 8C 2py -1.846099 -0.983452 1.856909 1.170538 1.046120 -5.318760 8C 3pz 0.089916 0.106472 -0.094659 -0.032416 0.022349 -0.209896 8C 3px 0.098046 0.079234 -0.068017 -0.102878 0.010076 -0.085724 8C 3py -0.035616 -0.182421 0.096552 0.071717 -0.027436 0.261233 8C 1dz2 0.088322 0.050827 -0.066301 -0.046025 -0.012399 0.076485 8C 1dxz -0.180063 -0.084491 0.132385 0.119175 0.017273 -0.101649 8C 1dyz 0.109218 0.061594 -0.106910 -0.035608 -0.062510 0.293885 8C 1dx2y2 0.104761 0.063236 -0.099579 -0.041161 -0.042003 0.221282 8C 1dxy 0.177107 0.101228 -0.141021 -0.106602 -0.032675 0.198169 8C 2dz2 0.042650 -0.003199 -0.070079 -0.054179 -0.081777 0.324803 8C 2dxz -0.673697 -0.372197 0.482053 0.362263 0.106074 -0.633247 8C 2dyz 0.205254 0.064615 -0.384378 -0.194662 -0.291820 1.499864 8C 2dx2y2 0.682047 0.446706 -0.607482 -0.374813 -0.236307 1.239149 8C 2dxy 0.476165 0.302372 -0.384941 -0.213642 -0.209485 1.076602 8C 1f0 -0.194619 -0.124532 0.174318 0.100452 0.050138 -0.259992 8C 1f+1 -0.137730 -0.078463 0.063770 0.061751 -0.003270 0.025451 8C 1f-1 -0.138176 -0.053451 0.117826 0.057621 -0.031096 0.137503 8C 1f+2 0.369770 0.185763 -0.157608 -0.056111 0.157506 -0.810575 8C 1f-2 0.224990 0.110792 -0.134715 -0.057512 0.117477 -0.611787 8C 1f+3 0.156954 0.087669 -0.099111 -0.091689 -0.064822 0.353952 8C 1f-3 0.035554 0.010051 0.045145 -0.027039 0.023881 -0.089654 9C 1s -0.005218 0.001216 0.001649 -0.001301 0.023352 0.004557 9C 2s -0.002299 -0.005868 0.002014 -0.000632 0.004297 0.001055 9C 3s -0.252374 0.354024 -0.015089 0.048622 2.318728 0.465614 9C 4s 0.275465 -0.009577 0.600391 -1.283280-11.658608 -2.361666 9C 5s -1.577321 2.229415 0.571974 -1.547608 4.533395 0.674440 9C 1pz 0.007136 -0.030610 0.017714 -0.043727 -0.256491 -0.057118 9C 1px 0.028103 -0.055374 -0.013832 0.055354 -0.044209 -0.007537 9C 1py 0.008136 -0.025332 0.008172 -0.013775 -0.178127 -0.033696 9C 2pz 1.461889 -1.955960 -1.237560 2.347059 5.298985 1.160962 9C 2px -0.268003 0.533976 -0.060506 -0.383065 0.873398 0.174383 9C 2py 0.877631 -1.125351 -0.779326 1.358059 3.626403 0.735249 9C 3pz 0.073977 -0.199449 -0.038086 0.136013 -0.284357 -0.024839 9C 3px 0.062144 -0.083026 0.024443 0.100396 -0.008546 0.020563 9C 3py 0.073336 -0.182869 -0.022827 0.139529 -0.206840 -0.010740 9C 1dz2 -0.085494 0.096003 0.072072 -0.094309 -0.218328 -0.044121 9C 1dxz -0.133059 0.167004 0.049127 -0.187627 -0.102342 -0.026018 9C 1dyz -0.120903 0.156362 0.112924 -0.155434 -0.332951 -0.072242 9C 1dx2y2 0.090842 -0.106581 -0.046004 0.119856 0.089442 0.026493 9C 1dxy -0.073187 0.112261 0.036495 -0.117578 -0.068187 -0.021168 9C 2dz2 -0.345772 0.483763 0.317366 -0.570480 -1.166526 -0.263801 9C 2dxz -0.400835 0.653196 0.217089 -0.522100 -0.640613 -0.134809 9C 2dyz -0.339521 0.359179 0.381509 -0.548918 -1.743219 -0.361666 9C 2dx2y2 0.414008 -0.691357 -0.253851 0.633078 0.598468 0.122896 9C 2dxy -0.089156 0.080193 0.065116 -0.118397 -0.329689 -0.078521 9C 1f0 -0.142946 0.174224 0.024050 -0.119055 0.200412 0.038939 9C 1f+1 0.031599 -0.074828 -0.021155 0.042316 0.145670 0.029634 9C 1f-1 -0.011683 -0.026498 -0.052761 0.122580 0.727821 0.146945 9C 1f+2 0.262522 -0.295713 -0.073795 0.189159 -0.571898 -0.101287 9C 1f-2 -0.164990 0.142923 0.106824 -0.098186 0.550206 0.100998 9C 1f+3 0.274447 -0.329111 -0.137350 0.245560 -0.194708 -0.030427 9C 1f-3 0.013041 -0.007320 -0.049256 0.005139 -0.065086 -0.016919 10H 1s -0.377127 0.512432 -0.121374 0.367153 -0.235374 -0.031143 10H 2s -0.940551 1.352466 -0.470683 1.117381 -0.264361 -0.035077 10H 3s 0.411130 -0.518967 0.182098 -0.422820 0.636235 0.091950 10H 1pz -0.260916 0.350017 -0.120476 0.295817 -0.210035 -0.034126 10H 1px 0.371109 -0.483292 0.160050 -0.400663 0.145840 0.015746 10H 1py -0.104465 0.152812 -0.054493 0.123926 -0.091661 -0.017331 11H 1s -0.158246 0.134297 -0.090633 0.095842 -0.342281 -0.058670 11H 2s -0.176706 0.065137 -0.156364 0.026735 -0.514207 -0.090166 11H 3s 0.241185 -0.275367 0.097312 -0.169839 0.744814 0.122908 11H 1pz -0.112342 0.125050 -0.069728 0.063268 -0.251094 -0.043689 11H 1px -0.080032 0.043268 -0.060397 0.020054 -0.225398 -0.039506 11H 1py 0.099507 -0.106424 0.064090 -0.085614 0.082342 0.012640 12H 1s -0.170995 0.169234 -0.104957 0.105140 -0.299675 -0.052836 12H 2s -0.203723 0.103198 -0.137387 -0.025510 -0.376074 -0.100086 12H 3s 0.245456 -0.239791 0.077127 -0.129274 0.692306 0.132451 12H 1pz 0.047663 -0.045737 0.036507 -0.052172 -0.023834 -0.008606 12H 1px -0.030589 -0.024538 -0.027129 -0.029066 -0.148747 -0.031941 12H 1py -0.157198 0.153800 -0.088872 0.059613 -0.258329 -0.058693 13H 1s -0.506109 -0.290573 -0.267682 -0.197371 0.050549 -0.232913 13H 2s -1.283726 -0.729660 -0.898216 -0.599471 0.085972 -0.264826 13H 3s 0.494607 0.283827 0.354166 0.218473 -0.119933 0.631029 13H 1pz -0.421507 -0.240764 -0.289431 -0.190752 0.043274 -0.173432 13H 1px 0.366229 0.195735 0.237155 0.167679 -0.026019 0.103917 13H 1py 0.230529 0.123089 0.163989 0.112287 -0.040663 0.174453 14H 1s -0.186799 -0.115651 -0.140023 -0.016177 0.046235 -0.278219 14H 2s -0.141401 -0.127588 -0.063695 0.117577 0.075026 -0.317493 14H 3s 0.222439 0.178549 0.109511 0.031009 -0.131590 0.657528 14H 1pz -0.129552 -0.094146 -0.061538 -0.000749 0.028924 -0.129738 14H 1px -0.081978 -0.054367 -0.054009 0.040716 0.046941 -0.239344 14H 1py -0.052433 -0.029770 -0.053206 -0.030425 -0.010845 0.053948 15H 1s -0.169732 -0.057058 -0.109639 -0.036643 0.061582 -0.344029 15H 2s -0.160405 0.027036 -0.130371 0.010860 0.091961 -0.529252 15H 3s 0.320252 0.147027 0.181472 0.068429 -0.128393 0.742600 15H 1pz 0.132582 0.041835 0.093500 0.028684 -0.028853 0.156126 15H 1px 0.021225 0.020962 0.013774 0.025996 0.015358 -0.097428 15H 1py 0.162348 0.063538 0.099412 0.027248 -0.052037 0.297651 16H 1s 0.002494 0.024717 0.025836 0.041836 -0.015649 -0.007946 16H 2s -0.056817 -0.091793 -0.058827 -0.100723 -0.020412 -0.015001 16H 3s 0.027550 -0.027572 -0.025074 -0.040089 -0.032282 -0.020051 16H 1pz -0.008770 -0.022911 -0.003572 -0.015548 -0.017755 -0.010134 16H 1px 0.001138 0.019112 0.003428 0.023300 0.012392 0.005993 16H 1py -0.009485 -0.009574 -0.000522 0.001142 -0.004259 -0.008621 17H 1s -0.006722 -0.022265 -0.012529 -0.037137 0.017552 0.006757 17H 2s 0.050832 0.091585 -0.043832 0.057939 -0.014395 0.036947 17H 3s 0.049755 0.009986 0.000133 0.033912 -0.008225 0.035356 17H 1pz 0.003071 -0.008502 0.016079 0.005092 -0.002391 -0.002364 17H 1px -0.018304 -0.019193 0.022577 -0.006065 -0.002305 -0.025840 17H 1py 0.005451 0.004434 -0.015044 -0.004143 0.008436 0.006360 18H 1s -0.006623 -0.019866 0.012245 0.035793 -0.017632 -0.006786 18H 2s 0.052463 0.083650 0.044430 -0.053064 0.012799 -0.036232 18H 3s 0.050424 0.008096 -0.000745 -0.032683 0.007208 -0.035207 18H 1pz -0.002426 0.008368 0.016430 0.005620 -0.002776 -0.002559 18H 1px 0.018968 0.017758 0.022659 -0.005259 -0.003158 -0.025543 18H 1py -0.005682 -0.004035 -0.014305 -0.003729 0.008555 0.005919 19H 1s 0.002237 0.024342 -0.026050 -0.042801 0.015978 0.007702 19H 2s -0.054433 -0.093091 0.059615 0.106522 0.020553 0.013968 19H 3s 0.028828 -0.026723 0.024375 0.040670 0.032744 0.019049 19H 1pz 0.007782 0.023056 -0.003807 -0.016939 -0.017901 -0.009394 19H 1px -0.000936 -0.019051 0.003398 0.024026 0.012614 0.005711 19H 1py 0.009358 0.010128 -0.000337 0.000822 -0.004728 -0.008614 20H 1s -0.168198 -0.056823 0.114535 0.039134 -0.061792 0.343839 20H 2s -0.154047 0.025761 0.135789 -0.010736 -0.091690 0.528081 20H 3s 0.319377 0.144852 -0.188877 -0.073513 0.129230 -0.741923 20H 1pz -0.131001 -0.041634 0.097427 0.030267 -0.028860 0.156009 20H 1px -0.021311 -0.020439 0.013227 0.026089 0.015822 -0.099849 20H 1py -0.160410 -0.063068 0.103225 0.028929 -0.051868 0.296493 21H 1s -0.184497 -0.114596 0.144901 0.020254 -0.047008 0.279847 21H 2s -0.136756 -0.127842 0.070809 -0.111772 -0.075956 0.322015 21H 3s 0.224072 0.177308 -0.117218 -0.038671 0.133073 -0.658929 21H 1pz 0.130448 0.094296 -0.066016 -0.003654 0.029412 -0.131869 21H 1px 0.079301 0.054313 -0.057259 0.037704 0.047403 -0.240366 21H 1py 0.052188 0.029191 -0.054733 -0.031085 -0.010563 0.052760 22H 1s -0.510653 -0.286576 0.279519 0.204922 -0.050841 0.232796 22H 2s -1.290070 -0.720297 0.929822 0.616744 -0.085487 0.264681 22H 3s 0.494515 0.279686 -0.367359 -0.228032 0.120808 -0.631502 22H 1pz 0.420139 0.235616 -0.297571 -0.195391 0.043117 -0.172845 22H 1px -0.370166 -0.193779 0.247565 0.173680 -0.026185 0.104205 22H 1py -0.234043 -0.122879 0.171507 0.116672 -0.040813 0.175079 23H 1s -0.167547 0.164412 0.108207 -0.111030 0.301470 0.052295 23H 2s -0.198269 0.096716 0.143409 0.017382 0.381816 0.100405 23H 3s 0.245036 -0.237768 -0.084379 0.141068 -0.694184 -0.132048 23H 1pz -0.047034 0.044471 0.037997 -0.053994 -0.021448 -0.007881 23H 1px 0.026653 0.027007 -0.026540 -0.029457 -0.146207 -0.030941 23H 1py 0.155891 -0.151341 -0.093761 0.066772 -0.262160 -0.058760 24H 1s -0.155207 0.132845 0.095583 -0.101183 0.341352 0.057340 24H 2s -0.167556 0.062493 0.161860 -0.028423 0.511364 0.086445 24H 3s 0.237577 -0.270722 -0.102714 0.178332 -0.743304 -0.119829 24H 1pz 0.109452 -0.123096 -0.072406 0.066211 -0.248797 -0.042120 24H 1px 0.078216 -0.042679 -0.063785 0.022456 -0.227985 -0.038836 24H 1py -0.096418 0.104205 0.066199 -0.088830 0.078600 0.011591 25H 1s -0.379442 0.508009 0.131372 -0.383835 0.236030 0.030495 25H 2s -0.942054 1.338638 0.498066 -1.162170 0.266229 0.034402 25H 3s 0.409818 -0.511092 -0.193041 0.442604 -0.637393 -0.090274 25H 1pz 0.263405 -0.349441 -0.129199 0.310282 -0.210845 -0.033381 25H 1px -0.370933 0.476518 0.169871 -0.416288 0.146515 0.015331 25H 1py 0.099943 -0.144622 -0.055100 0.123591 -0.090940 -0.016979 26O 1s 0.010479 -0.016931 0.013986 -0.016785 0.001197 0.001343 26O 2s 0.045591 -0.074863 0.059253 -0.078024 0.005819 0.004810 26O 3s -0.604502 1.029713 -0.770952 1.129315 -0.141654 -0.061750 26O 4s 1.892922 -3.162641 2.365707 -3.663592 0.362906 0.141766 26O 5s 0.878991 -2.353767 1.626184 -3.017811 0.753196 -0.009596 26O 1pz 0.027954 -0.085340 -0.001160 -0.063710 0.022907 0.007027 26O 1px 0.144292 -0.319159 0.187365 -0.355033 -0.003564 -0.002531 26O 1py 0.082420 -0.175531 0.070967 -0.177450 0.022885 -0.011849 26O 2pz -0.200558 0.478900 -0.095366 0.412109 -0.074166 -0.011960 26O 2px -1.027409 2.070882 -1.358265 2.454287 -0.291149 -0.041756 26O 2py -0.541565 1.088568 -0.571357 1.193064 -0.188786 0.016562 26O 3pz 0.010360 -0.155101 -0.016865 -0.488917 0.165777 -0.004198 26O 3px -0.435608 0.903066 -0.825628 1.096504 -0.348088 -0.040451 26O 3py -0.207545 0.221475 -0.327989 0.112798 0.023555 -0.110587 26O 1dz2 0.009151 -0.018244 0.008463 -0.016432 0.022444 0.008664 26O 1dxz -0.005720 0.017614 0.000291 0.014478 -0.006885 -0.002852 26O 1dyz -0.023346 0.005095 -0.013570 0.019167 0.026474 0.002056 26O 1dx2y2 -0.010434 0.021628 -0.016971 0.026893 -0.002685 -0.000950 26O 1dxy -0.016546 0.036264 -0.018685 0.039215 -0.004812 0.003127 26O 2dz2 -0.166253 0.345027 -0.225317 0.378768 -0.033177 -0.002771 26O 2dxz 0.108643 -0.193251 0.075433 -0.193795 0.023765 0.000778 26O 2dyz 0.047435 -0.116356 0.037634 -0.130797 0.067859 0.006859 26O 2dx2y2 0.165908 -0.386441 0.265798 -0.444236 0.067405 0.013720 26O 2dxy 0.271852 -0.514539 0.302083 -0.573559 0.104134 0.018328 26O 1f0 -0.011739 0.026613 -0.001640 0.016192 0.028853 -0.004793 26O 1f+1 -0.009530 0.030995 -0.025303 0.043478 -0.029994 -0.002182 26O 1f-1 -0.022200 0.043283 -0.010878 0.011163 -0.006451 -0.004515 26O 1f+2 -0.016831 0.003154 -0.018307 0.007252 0.015009 -0.001872 26O 1f-2 0.029387 -0.061738 0.021148 -0.037026 -0.075588 -0.020577 26O 1f+3 -0.009093 0.015455 -0.021906 0.018407 0.000212 -0.002993 26O 1f-3 -0.045699 0.089224 -0.049487 0.078635 0.041379 0.004783 27O 1s 0.016980 0.009210 0.020969 0.007871 0.000154 0.001149 27O 2s 0.073697 0.041168 0.092706 0.038858 -0.000361 0.005198 27O 3s -0.987150 -0.575642 -1.271264 -0.594478 0.031843 -0.127766 27O 4s 3.010704 1.763306 3.995442 1.971263 -0.105740 0.305652 27O 5s 1.853518 1.582373 3.144368 1.775775 -0.221204 0.690382 27O 1pz 0.020201 0.019307 -0.018441 0.009224 0.001895 0.026477 27O 1px 0.308254 0.220076 0.379010 0.233191 -0.014535 -0.002008 27O 1py -0.105036 -0.076827 -0.074821 -0.068735 0.020917 -0.019693 27O 2pz -0.077914 -0.064931 0.102445 -0.014217 -0.006684 -0.051698 27O 2px -2.020277 -1.370278 -2.697862 -1.556824 0.141521 -0.285171 27O 2py 0.639263 0.447575 0.598401 0.435200 -0.079859 0.092169 27O 3pz 0.149190 0.135924 0.326401 0.313642 0.002855 0.178462 27O 3px -0.845518 -0.552122 -1.369504 -0.517810 0.065432 -0.305163 27O 3py 0.113112 -0.106415 -0.074682 -0.315727 0.105210 -0.068293 27O 1dz2 0.028286 0.004340 0.031360 0.015161 0.004911 -0.003146 27O 1dxz -0.005185 -0.002297 0.003899 -0.001465 -0.001390 -0.003832 27O 1dyz 0.001877 -0.002522 0.014222 0.007280 0.005962 -0.028475 27O 1dx2y2 -0.023635 -0.024831 -0.033818 -0.023290 0.008163 -0.020044 27O 1dxy 0.021220 0.015830 0.023310 0.018261 -0.003615 -0.003853 27O 2dz2 -0.338628 -0.239554 -0.438603 -0.255893 0.033756 -0.075208 27O 2dxz 0.022769 0.015526 -0.034582 0.004828 -0.004178 0.007993 27O 2dyz -0.014245 -0.017140 -0.018963 -0.028307 0.013395 -0.052179 27O 2dx2y2 0.501624 0.337380 0.664207 0.357323 -0.030331 0.074211 27O 2dxy -0.336891 -0.202808 -0.350561 -0.226660 0.025779 -0.062840 27O 1f0 0.008890 0.000782 0.005991 -0.011882 -0.001728 0.001223 27O 1f+1 -0.060524 -0.038548 -0.062674 -0.032237 -0.002275 0.037933 27O 1f-1 0.036615 0.020166 0.015917 0.010193 0.016400 -0.029549 27O 1f+2 0.014137 0.011381 -0.022129 -0.010432 -0.004147 0.005538 27O 1f-2 -0.046277 -0.025913 -0.030500 -0.008615 -0.013684 0.064979 27O 1f+3 -0.048969 -0.036211 -0.065889 -0.030867 0.004691 -0.033288 27O 1f-3 0.059772 0.041599 0.037660 0.025741 0.003552 -0.046229 28O 1s 0.002976 -0.009840 -0.006572 0.003668 -0.003006 -0.000191 28O 2s 0.007057 -0.036751 -0.030091 0.024976 -0.015715 -0.000510 28O 3s 0.002764 0.412595 0.439920 -0.485116 0.218650 -0.009351 28O 4s -0.166594 -1.082410 -1.394103 1.672526 -0.945832 0.002955 28O 5s -0.299196 -1.205631 -1.368939 2.000142 -0.419484 0.102790 28O 1pz -0.007271 -0.136594 -0.030865 0.104465 -0.043634 0.018004 28O 1px 0.011658 0.125592 0.083313 -0.135836 0.094599 0.006999 28O 1py -0.004153 -0.034218 0.013995 0.015122 0.018032 -0.000198 28O 2pz 0.164971 0.643331 0.480976 -0.903366 0.354975 -0.076741 28O 2px -0.212235 -0.615876 -0.758550 1.132692 -0.513160 0.015135 28O 2py 0.025733 0.154478 0.001990 -0.127387 -0.008747 -0.004959 28O 3pz 0.012301 0.104277 0.398588 0.032808 -0.044024 0.000595 28O 3px -0.140295 -0.346562 -0.600808 0.721517 -0.166433 0.077533 28O 3py 0.011391 -0.044844 0.003592 0.302149 -0.040632 -0.060096 28O 1dz2 0.008754 -0.021048 0.005602 -0.013872 0.016906 0.004091 28O 1dxz -0.026612 0.006476 -0.019804 0.042505 -0.006414 0.006526 28O 1dyz 0.009517 -0.023717 0.005557 -0.012067 0.028813 0.006869 28O 1dx2y2 0.000237 -0.002825 0.015920 -0.019550 0.004215 0.004362 28O 1dxy -0.001288 -0.001747 -0.000770 0.006422 0.010521 0.000456 28O 2dz2 -0.012823 -0.019694 -0.022704 0.095536 0.006258 0.011678 28O 2dxz 0.086081 0.208583 0.255981 -0.394477 0.137664 -0.020836 28O 2dyz -0.013920 -0.043521 -0.030607 0.114122 0.024330 0.014813 28O 2dx2y2 -0.061436 -0.140622 -0.164470 0.219401 -0.087794 0.016266 28O 2dxy 0.022591 0.023164 0.020837 -0.055163 0.019908 -0.003987 28O 1f0 -0.002296 0.013209 0.019334 -0.023979 -0.024566 -0.009193 28O 1f+1 0.014877 0.005631 -0.000253 -0.014474 0.044990 0.000280 28O 1f-1 0.001844 -0.011782 0.005461 0.004993 -0.085337 -0.020876 28O 1f+2 -0.002142 -0.022950 -0.023146 0.022467 -0.016353 -0.007019 28O 1f-2 -0.012052 0.028703 -0.020500 0.040571 0.037157 0.005236 28O 1f+3 0.000735 -0.018949 -0.018115 0.014435 -0.024596 0.003195 28O 1f-3 0.019842 -0.017156 0.005524 -0.036368 -0.023753 -0.006083 29O 1s -0.002119 0.000639 0.000117 0.000142 -0.000389 -0.000032 29O 2s -0.006928 0.002189 0.000850 0.000573 -0.001164 -0.000129 29O 3s 0.057008 -0.020682 -0.024520 -0.006822 0.007457 0.001212 29O 4s -0.077800 0.041028 0.165090 -0.003355 -0.005872 0.011567 29O 5s -0.072327 -0.006901 -0.518476 0.127642 -0.005790 -0.083726 29O 1pz 0.007509 -0.009834 -0.006244 -0.021180 0.011108 0.008337 29O 1px -0.035428 0.005433 -0.037791 0.003857 0.003631 -0.005959 29O 1py -0.000170 0.002582 -0.004765 0.009420 0.003864 -0.007157 29O 2pz -0.030710 -0.008821 0.023601 0.034239 -0.039635 -0.036454 29O 2px 0.082664 -0.024443 0.109659 -0.010616 -0.008733 0.005794 29O 2py 0.001921 -0.009388 -0.002294 -0.029160 -0.010404 0.020002 29O 3pz -0.058537 -0.075205 -0.102005 -0.083290 0.002342 -0.014612 29O 3px -0.053812 -0.016573 0.124213 -0.053648 0.021461 0.005055 29O 3py 0.020695 0.024246 -0.013586 0.013913 0.002298 -0.001207 29O 1dz2 -0.004138 -0.001877 -0.001730 -0.004676 -0.002877 -0.003550 29O 1dxz 0.007747 -0.002275 -0.000806 0.000314 0.006989 0.004485 29O 1dyz 0.005582 -0.003524 -0.003264 -0.009163 0.003268 0.004919 29O 1dx2y2 0.000771 0.000566 0.003237 -0.001883 0.002024 0.004107 29O 1dxy -0.001547 -0.008230 0.003007 -0.005147 0.007921 -0.006083 29O 2dz2 0.006866 0.005724 0.005702 -0.005371 0.008776 0.005155 29O 2dxz 0.005203 -0.002489 0.022507 0.008052 0.000105 -0.003401 29O 2dyz 0.015891 0.012312 -0.013383 -0.004967 0.015603 0.018046 29O 2dx2y2 -0.007491 0.002021 -0.014093 0.003843 -0.003408 -0.000305 29O 2dxy -0.000864 0.002932 -0.013628 -0.002843 0.007245 0.003702 29O 1f0 0.002172 0.007078 -0.001362 0.006910 -0.007138 0.002992 29O 1f+1 -0.002347 0.008783 -0.000131 0.005708 0.000172 -0.002974 29O 1f-1 -0.001343 -0.004677 -0.002493 -0.005675 0.011397 -0.004041 29O 1f+2 0.010375 -0.007270 0.005922 -0.000195 0.011192 -0.003542 29O 1f-2 0.002503 0.007945 0.003977 0.007244 -0.009094 0.004962 29O 1f+3 0.006782 0.002672 -0.003024 0.001258 0.001601 0.001080 29O 1f-3 0.003471 0.009095 -0.001348 -0.001193 -0.018670 0.018549 30O 1s 0.010759 0.006783 -0.008448 -0.001193 -0.000829 -0.002717 30O 2s 0.040014 0.026804 -0.042297 -0.011973 -0.002107 -0.014121 30O 3s -0.439554 -0.326820 0.664767 0.270652 0.014677 0.189441 30O 4s 1.154978 0.898384 -2.163700 -0.966968 0.027986 -0.841274 30O 5s 0.926672 1.095832 -2.180947 -1.358211 0.086315 -0.314358 30O 1pz 0.090431 0.080473 -0.075168 -0.072540 0.018195 -0.025441 30O 1px -0.104245 -0.095146 0.144006 0.082151 -0.014326 0.090394 30O 1py -0.099674 -0.098439 0.067290 0.077809 -0.001031 0.027718 30O 2pz -0.431713 -0.418921 0.726135 0.508413 -0.066724 0.211616 30O 2px 0.515466 0.500445 -1.184987 -0.650079 0.054688 -0.438097 30O 2py 0.478503 0.482911 -0.724370 -0.539657 0.027213 -0.243376 30O 3pz -0.207740 -0.060936 0.303897 -0.046052 0.124146 0.047543 30O 3px 0.268987 0.342379 -0.897999 -0.511875 0.017638 -0.109173 30O 3py 0.155742 0.081016 -0.193819 0.183598 -0.056020 0.057839 30O 1dz2 -0.010246 -0.002274 -0.010643 -0.005632 0.003433 -0.014867 30O 1dxz -0.005923 0.011003 -0.024008 -0.016111 0.005390 0.002032 30O 1dyz -0.020018 -0.018286 -0.029441 -0.014714 0.004008 -0.030805 30O 1dx2y2 -0.016134 -0.003451 0.004877 -0.003221 0.002956 -0.008515 30O 1dxy 0.000751 -0.002527 0.026373 0.018879 0.004434 -0.007525 30O 2dz2 -0.034493 -0.046283 0.087314 0.045532 0.000900 0.017869 30O 2dxz -0.151567 -0.131636 0.299999 0.171376 -0.003062 0.083183 30O 2dyz -0.107386 -0.116419 0.258017 0.189620 -0.004990 0.016104 30O 2dx2y2 0.060225 0.059915 -0.090120 -0.019893 0.001954 -0.048786 30O 2dxy 0.129768 0.145954 -0.308571 -0.178123 0.012444 -0.105643 30O 1f0 -0.017541 -0.015295 0.027699 0.015840 -0.010270 0.073225 30O 1f+1 0.013093 0.003476 0.013246 0.016785 -0.003076 -0.019437 30O 1f-1 -0.032765 -0.013146 -0.023847 -0.014290 0.001869 0.027840 30O 1f+2 0.011054 0.005549 -0.018628 -0.000687 -0.018956 0.056019 30O 1f-2 0.034290 0.030746 -0.000239 0.006135 0.009338 -0.049705 30O 1f+3 0.016391 0.006376 -0.006002 0.007975 0.004422 0.003129 30O 1f-3 0.000370 0.006795 -0.053066 -0.030045 -0.003867 0.025346 31O 1s 0.011315 0.006750 0.008270 0.001134 0.000800 0.002744 31O 2s 0.042390 0.026821 0.041688 0.011794 0.001973 0.014260 31O 3s -0.471348 -0.329519 -0.659233 -0.269497 -0.012554 -0.191995 31O 4s 1.252890 0.910254 2.150550 0.965766 -0.035168 0.850788 31O 5s 1.004866 1.117493 2.171188 1.345259 -0.090566 0.323338 31O 1pz -0.094381 -0.082002 -0.073989 -0.071947 0.018371 -0.025855 31O 1px 0.110846 0.096399 0.142830 0.081464 -0.014684 0.090838 31O 1py 0.103670 0.100229 0.066014 0.077107 -0.001535 0.028028 31O 2pz 0.462387 0.427694 0.722059 0.506697 -0.069069 0.215286 31O 2px -0.563407 -0.510365 -1.180983 -0.648852 0.058128 -0.442994 31O 2py -0.509793 -0.492638 -0.719327 -0.537485 0.030384 -0.246534 31O 3pz 0.224757 0.058452 0.301945 -0.041845 0.121808 0.048931 31O 3px -0.302491 -0.349929 -0.894695 -0.509242 0.020150 -0.113002 31O 3py -0.171886 -0.073854 -0.192413 0.180509 -0.054207 0.056166 31O 1dz2 -0.009769 -0.002216 0.010770 0.005443 -0.003456 0.014784 31O 1dxz -0.005274 0.011075 0.024446 0.016040 -0.005446 -0.001906 31O 1dyz -0.019629 -0.018053 0.029977 0.015125 -0.003975 0.030973 31O 1dx2y2 -0.016583 -0.003380 -0.004533 0.003276 -0.003017 0.008556 31O 1dxy 0.000310 -0.002805 -0.026663 -0.019225 -0.004303 0.007420 31O 2dz2 -0.038069 -0.047046 -0.087131 -0.045505 -0.000805 -0.018151 31O 2dxz -0.163898 -0.134296 -0.298874 -0.171669 0.004226 -0.084641 31O 2dyz -0.116304 -0.119519 -0.257265 -0.189283 0.005849 -0.017001 31O 2dx2y2 0.065403 0.059910 0.089787 0.019981 -0.002552 0.049541 31O 2dxy 0.142455 0.148552 0.307657 0.177836 -0.013485 0.106867 31O 1f0 0.018595 0.015522 0.027626 0.015817 -0.010377 0.073395 31O 1f+1 -0.013204 -0.003165 0.013682 0.016883 -0.003246 -0.019312 31O 1f-1 0.031952 0.012612 -0.024233 -0.014224 0.002010 0.028119 31O 1f+2 -0.012246 -0.005591 -0.018260 -0.000543 -0.018938 0.056018 31O 1f-2 -0.034808 -0.030267 0.000242 0.006291 0.009566 -0.049672 31O 1f+3 -0.017099 -0.006069 -0.005712 0.008166 0.004519 0.002915 31O 1f-3 -0.001933 -0.007272 -0.053207 -0.030105 -0.003840 0.025320 32O 1s -0.002192 0.000596 -0.000062 -0.000080 0.000378 0.000023 32O 2s -0.007198 0.002054 -0.000664 -0.000375 0.001130 0.000102 32O 3s 0.060157 -0.019853 0.022903 0.005373 -0.007213 -0.001033 32O 4s -0.088873 0.040612 -0.162253 0.006646 0.005307 -0.011996 32O 5s -0.047964 -0.006022 0.517551 -0.139939 0.007703 0.084994 32O 1pz -0.007175 0.009035 -0.006179 -0.021117 0.011201 0.008299 32O 1px 0.034571 -0.005570 -0.038201 0.004441 0.003522 -0.005991 32O 1py -0.000108 -0.001940 -0.005016 0.008893 0.003995 -0.007120 32O 2pz 0.029731 0.010468 0.023728 0.033343 -0.040311 -0.035968 32O 2px -0.080269 0.023683 0.110843 -0.011314 -0.008716 0.006076 32O 2py -0.001486 0.009276 -0.001395 -0.029108 -0.010883 0.019490 32O 3pz 0.055627 0.072585 -0.101405 -0.083209 0.001700 -0.013959 32O 3px 0.061113 0.012839 0.123659 -0.053182 0.021257 0.005366 32O 3py -0.020126 -0.018159 -0.014399 0.007676 0.002828 -0.001713 32O 1dz2 -0.004479 -0.002034 0.002017 0.005052 0.003004 0.003733 32O 1dxz 0.007637 -0.002388 0.000733 -0.000117 -0.007022 -0.004343 32O 1dyz 0.005708 -0.003415 0.003115 0.009278 -0.003419 -0.004892 32O 1dx2y2 0.000486 0.000523 -0.003193 0.002151 -0.001974 -0.004000 32O 1dxy -0.001737 -0.008065 -0.002934 0.005354 -0.007981 0.006078 32O 2dz2 0.005608 0.005470 -0.006187 0.005178 -0.008270 -0.004177 32O 2dxz 0.004266 -0.002742 -0.022837 -0.008051 0.000400 0.003700 32O 2dyz 0.016033 0.012595 0.013131 0.004606 -0.016463 -0.017787 32O 2dx2y2 -0.007326 0.001203 0.013929 -0.003430 0.003820 0.000732 32O 2dxy -0.000713 0.002716 0.013329 0.002720 -0.007272 -0.003375 32O 1f0 -0.002283 -0.007488 -0.001466 0.007999 -0.007843 0.003328 32O 1f+1 0.002603 -0.008015 -0.000773 0.004976 0.000518 -0.003359 32O 1f-1 0.000861 0.004546 -0.002232 -0.005755 0.011304 -0.004270 32O 1f+2 -0.010507 0.007304 0.006138 -0.000512 0.010286 -0.003254 32O 1f-2 -0.002571 -0.007855 0.004197 0.007688 -0.008944 0.004893 32O 1f+3 -0.007321 -0.002908 -0.002506 0.002451 0.001607 0.000773 32O 1f-3 -0.003703 -0.009835 -0.001357 -0.000154 -0.018660 0.019167 33O 1s 0.003465 -0.010193 0.006473 -0.003484 0.003023 0.000197 33O 2s 0.009170 -0.038433 0.029826 -0.024381 0.015818 0.000525 33O 3s -0.026102 0.437994 -0.439093 0.480406 -0.221026 0.009035 33O 4s -0.077199 -1.164566 1.395912 -1.663331 0.955262 -0.002215 33O 5s -0.220657 -1.283560 1.374176 -1.982548 0.421604 -0.109754 33O 1pz 0.002952 0.141643 -0.030435 0.102483 -0.043892 0.018163 33O 1px -0.005343 -0.132182 0.083345 -0.134052 0.094921 0.006687 33O 1py 0.003987 0.035367 0.013921 0.014665 0.017524 -0.000329 33O 2pz -0.128831 -0.681882 0.482181 -0.896846 0.358462 -0.077412 33O 2px 0.164242 0.665152 -0.763023 1.129201 -0.518500 0.015842 33O 2py -0.022820 -0.161449 0.003019 -0.126530 -0.006281 -0.004868 33O 3pz 0.007147 -0.112509 0.397855 0.029804 -0.040609 0.001677 33O 3px 0.106277 0.376568 -0.602837 0.718609 -0.168080 0.078917 33O 3py -0.011577 0.051782 0.004241 0.299031 -0.041824 -0.058859 33O 1dz2 0.008762 -0.020655 -0.005801 0.014318 -0.016787 -0.004020 33O 1dxz -0.025717 0.005438 0.020532 -0.043173 0.006725 -0.006368 33O 1dyz 0.009545 -0.023705 -0.006000 0.012689 -0.028963 -0.006946 33O 1dx2y2 -0.000422 -0.002145 -0.015967 0.019748 -0.004199 -0.004293 33O 1dxy -0.001536 -0.001554 0.000902 -0.006782 -0.010285 -0.000420 33O 2dz2 -0.011026 -0.022196 0.022391 -0.094641 -0.006532 -0.011735 33O 2dxz 0.069885 0.225114 -0.257346 0.393934 -0.139421 0.021028 33O 2dyz -0.012301 -0.047071 0.031280 -0.114310 -0.023817 -0.014901 33O 2dx2y2 -0.050897 -0.150643 0.165811 -0.219268 0.089308 -0.016157 33O 2dxy 0.021462 0.025572 -0.021873 0.055860 -0.020633 0.003999 33O 1f0 0.002904 -0.013577 0.019463 -0.024168 -0.023571 -0.008807 33O 1f+1 -0.014895 -0.005911 -0.000044 -0.014675 0.044659 0.000132 33O 1f-1 -0.001456 0.011493 0.005314 0.005012 -0.085665 -0.020741 33O 1f+2 0.000524 0.024317 -0.022943 0.021921 -0.016021 -0.006776 33O 1f-2 0.010852 -0.027188 -0.020664 0.040718 0.037719 0.005128 33O 1f+3 -0.001815 0.019800 -0.018155 0.014343 -0.024449 0.003252 33O 1f-3 -0.019907 0.016551 0.006118 -0.037120 -0.023415 -0.005991 34O 1s 0.016573 0.009075 -0.021252 -0.007976 -0.000152 -0.001166 34O 2s 0.071929 0.040467 -0.093934 -0.039337 0.000364 -0.005282 34O 3s -0.963696 -0.564499 1.287601 0.601128 -0.031757 0.128995 34O 4s 2.939005 1.726037 -4.046578 -1.992488 0.105784 -0.310993 34O 5s 1.783617 1.548226 -3.174671 -1.796018 0.218595 -0.688341 34O 1pz -0.021266 -0.018753 -0.018357 0.009543 0.001738 0.026281 34O 1px -0.301440 -0.214886 0.384105 0.235873 -0.014362 -0.001718 34O 1py 0.104817 0.075294 -0.076659 -0.069784 0.020663 -0.019714 34O 2pz 0.083071 0.063255 0.101992 -0.015113 -0.006532 -0.050817 34O 2px 1.971226 1.338082 -2.731109 -1.572766 0.140374 -0.287845 34O 2py -0.634181 -0.438829 0.610122 0.441332 -0.078963 0.092694 34O 3pz -0.143909 -0.128319 0.329931 0.316791 0.002918 0.178856 34O 3px 0.811902 0.545304 -1.381758 -0.521975 0.064740 -0.305625 34O 3py -0.112471 0.098550 -0.074168 -0.321616 0.105738 -0.069012 34O 1dz2 0.027922 0.004009 -0.031972 -0.015075 -0.005099 0.002996 34O 1dxz -0.005572 -0.002280 -0.003813 0.001579 0.001336 0.003798 34O 1dyz 0.001425 -0.002689 -0.014406 -0.007433 -0.005767 0.028436 34O 1dx2y2 -0.023144 -0.024393 0.034169 0.023645 -0.008207 0.020017 34O 1dxy 0.021288 0.015549 -0.023701 -0.018540 0.003676 0.003708 34O 2dz2 -0.330834 -0.234396 0.443856 0.258606 -0.033699 0.075429 34O 2dxz 0.024520 0.014939 0.034506 -0.005107 0.004103 -0.007493 34O 2dyz -0.014125 -0.016431 0.019010 0.028568 -0.013251 0.052043 34O 2dx2y2 0.488492 0.329864 -0.671642 -0.360531 0.029831 -0.074746 34O 2dxy -0.332939 -0.198457 0.356628 0.229064 -0.025514 0.062929 34O 1f0 -0.009087 -0.001401 0.006376 -0.011564 -0.001887 0.001272 34O 1f+1 0.059689 0.037994 -0.063831 -0.032642 -0.002367 0.037762 34O 1f-1 -0.037069 -0.019985 0.016635 0.010366 0.016784 -0.029459 34O 1f+2 -0.015341 -0.011602 -0.021955 -0.010176 -0.004142 0.005215 34O 1f-2 0.046162 0.025739 -0.031577 -0.009257 -0.013466 0.064807 34O 1f+3 0.047428 0.035461 -0.066536 -0.031365 0.004619 -0.033167 34O 1f-3 -0.060164 -0.041216 0.038781 0.026194 0.003506 -0.046203 35O 1s 0.010070 -0.016498 -0.014244 0.017189 -0.001205 -0.001353 35O 2s 0.043846 -0.072855 -0.060394 0.079816 -0.005868 -0.004859 35O 3s -0.581982 1.001017 0.786373 -1.153755 0.142239 0.062305 35O 4s 1.824416 -3.070738 -2.414596 3.740709 -0.366171 -0.143782 35O 5s 0.822391 -2.268358 -1.654210 3.068495 -0.752885 0.001288 35O 1pz -0.028680 0.084406 -0.000225 -0.065435 0.022914 0.006993 35O 1px -0.138269 0.309719 0.191604 -0.362047 -0.003313 -0.002055 35O 1py -0.080150 0.171372 0.073374 -0.181447 0.022680 -0.011821 35O 2pz 0.201237 -0.471464 -0.101413 0.422478 -0.074548 -0.012287 35O 2px 0.985493 -2.006528 -1.386905 2.500444 -0.292486 -0.044004 35O 2py 0.525301 -1.060647 -0.587407 1.219101 -0.188537 0.015904 35O 3pz -0.009176 0.142302 -0.015198 -0.494125 0.169658 -0.002378 35O 3px 0.407067 -0.872034 -0.837090 1.116431 -0.346608 -0.042558 35O 3py 0.199378 -0.217193 -0.332663 0.116126 0.024470 -0.111241 35O 1dz2 0.009180 -0.017977 -0.008795 0.016816 -0.022146 -0.008581 35O 1dxz -0.006076 0.017624 -0.000153 -0.014904 0.007042 0.002816 35O 1dyz -0.023046 0.004606 0.014119 -0.019775 -0.026324 -0.002026 35O 1dx2y2 -0.009839 0.020906 0.017242 -0.027303 0.002848 0.000937 35O 1dxy -0.016125 0.035519 0.019144 -0.040222 0.004854 -0.003188 35O 2dz2 -0.159259 0.334940 0.229846 -0.386030 0.033211 0.003127 35O 2dxz 0.107777 -0.189404 -0.078329 0.198386 -0.023899 -0.000917 35O 2dyz 0.046737 -0.113723 -0.038983 0.133461 -0.067974 -0.006941 35O 2dx2y2 0.157406 -0.373975 -0.270188 0.451653 -0.067353 -0.014025 35O 2dxy 0.263252 -0.500431 -0.309739 0.585372 -0.103886 -0.018777 35O 1f0 0.012275 -0.026796 -0.002036 0.016985 0.028814 -0.004794 35O 1f+1 0.008275 -0.029440 -0.025471 0.043791 -0.029268 -0.002022 35O 1f-1 0.022491 -0.043364 -0.011456 0.012122 -0.006010 -0.004612 35O 1f+2 0.015877 -0.002483 -0.018592 0.007652 0.015269 -0.001843 35O 1f-2 -0.029516 0.061427 0.022069 -0.038625 -0.075322 -0.020244 35O 1f+3 0.008582 -0.015098 -0.022214 0.018994 -0.000593 -0.003128 35O 1f-3 0.044555 -0.087542 -0.050863 0.080858 0.041143 0.004512 612 613 614 615 616 617 4.83094 4.86143 5.12864 5.13231 5.15299 5.15357 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s -0.007440 0.000289 -0.000112 0.000831 -0.000097 -0.000068 0Rh 2s 0.062216 -0.002411 -0.000051 -0.005955 0.000630 0.000737 0Rh 3s -0.007559 0.000296 -0.000703 0.001463 -0.000209 0.000029 0Rh 4s -0.363293 0.014100 -0.000028 0.035823 -0.003821 -0.004363 0Rh 5s 0.889137 -0.034616 -0.002545 -0.089111 0.009336 0.011819 0Rh 6s -0.901950 0.035334 0.015091 0.089167 -0.008415 -0.016154 0Rh 7s 0.714728 -0.028850 -0.026263 -0.125084 0.007176 0.030739 0Rh 8s 0.103274 -0.004302 0.035005 -0.156586 0.010554 -0.019046 0Rh 1pz -0.003202 -0.000116 0.002501 -0.000927 -0.003829 0.021037 0Rh 1px 0.001775 0.000161 -0.011491 0.005402 -0.004922 0.012836 0Rh 1py 0.000709 -0.002632 -0.017272 0.013797 0.010189 -0.010967 0Rh 2pz 0.013199 0.000462 -0.010221 0.003833 0.015708 -0.086139 0Rh 2px -0.008164 -0.000604 0.046988 -0.022253 0.020172 -0.052542 0Rh 2py -0.003031 0.010611 0.070665 -0.056485 -0.041714 0.044910 0Rh 3pz -0.042362 -0.001152 0.030372 -0.012217 -0.047773 0.258745 0Rh 3px 0.044448 0.000650 -0.139944 0.069308 -0.060940 0.157429 0Rh 3py 0.012138 -0.028862 -0.211187 0.169445 0.125375 -0.135003 0Rh 4pz 0.061365 0.000374 -0.034515 0.015786 0.057251 -0.299504 0Rh 4px -0.125558 0.003304 0.159053 -0.085913 0.071356 -0.181103 0Rh 4py -0.025968 0.024317 0.240480 -0.194381 -0.145903 0.156906 0Rh 5pz -0.064498 0.003123 0.018184 -0.005748 -0.031108 0.140225 0Rh 5px 0.245549 -0.011150 -0.075194 0.035422 -0.033336 0.084534 0Rh 5py 0.043126 0.007285 -0.099321 0.083696 0.070529 -0.076650 0Rh 6pz 0.195504 -0.016264 -0.077259 -0.110891 0.055432 -0.175808 0Rh 6px -0.526210 0.019595 0.104916 0.361040 0.003430 -0.112655 0Rh 6py -0.069166 -0.008386 -0.019716 -0.081787 -0.087135 0.132592 0Rh 1dz2 0.009189 -0.007030 0.004122 -0.003356 -0.000259 0.001309 0Rh 1dxz 0.012679 0.002621 0.000550 0.000441 0.000901 -0.005362 0Rh 1dyz 0.001323 -0.024076 0.003799 -0.003292 0.003037 -0.002884 0Rh 1dx2y2 -0.020611 0.000053 0.000608 -0.002577 0.003121 -0.002541 0Rh 1dxy -0.007262 -0.009002 -0.012003 0.009455 -0.004762 0.005242 0Rh 2dz2 -0.000785 -0.003055 -0.000076 -0.000310 0.000098 0.000059 0Rh 2dxz -0.001097 0.000271 0.000492 -0.000985 0.000151 -0.000187 0Rh 2dyz -0.000502 -0.007410 0.000026 -0.000233 -0.000654 0.000499 0Rh 2dx2y2 0.001322 -0.001216 -0.001189 0.001994 -0.000414 0.000031 0Rh 2dxy 0.000438 -0.003037 0.000744 -0.000503 0.000097 0.000054 0Rh 3dz2 -0.035898 0.046021 -0.018546 0.017005 0.000730 -0.006334 0Rh 3dxz -0.049563 -0.012908 -0.004718 0.002690 -0.004835 0.025520 0Rh 3dyz -0.003169 0.142682 -0.017577 0.016274 -0.010881 0.010884 0Rh 3dx2y2 0.082738 0.005807 0.002612 0.002363 -0.012367 0.011539 0Rh 3dxy 0.029311 0.054665 0.051616 -0.041090 0.021413 -0.024408 0Rh 4dz2 0.049131 -0.108799 0.034163 -0.035483 -0.000779 0.012824 0Rh 4dxz 0.068591 0.025175 0.010601 -0.012333 0.009700 -0.048835 0Rh 4dyz -0.000766 -0.318505 0.033434 -0.032868 0.016749 -0.017479 0Rh 4dx2y2 -0.119008 -0.022015 -0.009646 0.008777 0.020431 -0.021603 0Rh 4dxy -0.042440 -0.123732 -0.092971 0.074998 -0.039033 0.046669 0Rh 5dz2 0.035163 0.266632 -0.045740 0.074963 -0.003938 -0.022417 0Rh 5dxz 0.032025 -0.046753 -0.018960 0.058394 -0.013596 0.068276 0Rh 5dyz 0.037292 0.718953 -0.049503 0.061590 -0.012867 0.013033 0Rh 5dx2y2 -0.030769 0.086164 0.025767 -0.078729 -0.014453 0.028134 0Rh 5dxy -0.011565 0.281011 0.115006 -0.101892 0.042999 -0.066902 0Rh 1f0 0.014614 0.001363 0.000215 0.004252 0.002468 -0.005416 0Rh 1f+1 -0.009770 -0.001966 -0.001320 -0.004147 0.002534 -0.001891 0Rh 1f-1 -0.001833 0.002911 -0.002665 -0.000789 -0.000427 0.002439 0Rh 1f+2 -0.018839 0.002491 -0.005689 -0.005596 0.002518 -0.003956 0Rh 1f-2 -0.007754 -0.004959 0.000084 -0.003936 -0.001903 -0.001261 0Rh 1f+3 -0.020246 0.000109 -0.005537 -0.005768 0.001965 0.004034 0Rh 1f-3 -0.012542 0.005462 0.004161 -0.005552 -0.003358 -0.000780 1Rh 1s -0.007418 0.000291 -0.000078 -0.000839 0.000106 -0.000045 1Rh 2s 0.062022 -0.002427 -0.000293 0.005990 -0.000744 0.000584 1Rh 3s -0.007544 0.000300 -0.000642 -0.001488 0.000194 0.000074 1Rh 4s -0.362161 0.014193 0.001426 -0.036040 0.004490 -0.003433 1Rh 5s 0.886315 -0.034839 -0.006159 0.089597 -0.011177 0.009525 1Rh 6s -0.898760 0.035538 0.018700 -0.089394 0.011067 -0.013981 1Rh 7s 0.706914 -0.029511 -0.031509 0.125786 -0.012064 0.028541 1Rh 8s 0.103234 -0.003877 0.027745 0.157492 -0.006406 -0.023855 1Rh 1pz 0.003139 0.000062 -0.002688 -0.001253 -0.000949 -0.021300 1Rh 1px -0.001804 -0.000169 0.011178 0.005603 -0.002657 -0.013489 1Rh 1py -0.000729 0.002556 0.016825 0.014521 0.007777 0.012188 1Rh 2pz -0.012944 -0.000242 0.010985 0.005168 0.003915 0.087220 1Rh 2px 0.008280 0.000637 -0.045700 -0.023074 0.010902 0.055220 1Rh 2py 0.003108 -0.010306 -0.068836 -0.059448 -0.031840 -0.049906 1Rh 3pz 0.041593 0.000464 -0.032609 -0.016227 -0.012351 -0.262097 1Rh 3px -0.044780 -0.000774 0.135975 0.071760 -0.033154 -0.165553 1Rh 3py -0.012279 0.028065 0.205698 0.178310 0.095717 0.150010 1Rh 4pz -0.060381 0.000594 0.036949 0.020416 0.016257 0.303738 1Rh 4px 0.125922 -0.003054 -0.154230 -0.088746 0.039358 0.190688 1Rh 4py 0.025811 -0.023770 -0.234183 -0.204498 -0.111497 -0.174373 1Rh 5pz 0.063600 -0.004180 -0.019260 -0.007911 -0.011981 -0.143030 1Rh 5px -0.245795 0.010735 0.073161 0.036991 -0.018361 -0.088907 1Rh 5py -0.042271 -0.006767 0.096660 0.087923 0.053866 0.085123 1Rh 6pz -0.190314 0.020656 0.087850 -0.103805 0.031256 0.183238 1Rh 6px 0.524486 -0.018645 -0.118704 0.359213 -0.015522 0.107282 1Rh 6py 0.064648 0.005364 0.020250 -0.083236 -0.058867 -0.141667 1Rh 1dz2 0.009284 -0.006922 0.003908 0.003382 0.000140 0.001325 1Rh 1dxz 0.012645 0.002546 0.000752 -0.000217 -0.000189 -0.005463 1Rh 1dyz 0.001320 -0.024086 0.003876 0.003688 -0.002527 -0.003458 1Rh 1dx2y2 -0.020726 -0.000005 0.000648 0.002775 -0.002632 -0.003044 1Rh 1dxy -0.007175 -0.008912 -0.011555 -0.009758 0.003619 0.005959 1Rh 2dz2 -0.000777 -0.003049 -0.000069 0.000313 -0.000100 0.000049 1Rh 2dxz -0.001098 0.000269 0.000429 0.000980 -0.000110 -0.000207 1Rh 2dyz -0.000501 -0.007403 0.000023 0.000214 0.000572 0.000596 1Rh 2dx2y2 0.001313 -0.001213 -0.001116 -0.002045 0.000388 0.000127 1Rh 2dxy 0.000434 -0.003037 0.000730 0.000522 -0.000105 0.000037 1Rh 3dz2 -0.036350 0.045520 -0.017591 -0.017141 -0.000164 -0.006354 1Rh 3dxz -0.049415 -0.012568 -0.005348 -0.003693 0.001373 0.026076 1Rh 3dyz -0.003158 0.142692 -0.017924 -0.018014 0.008929 0.013072 1Rh 3dx2y2 0.083286 0.006046 0.002079 -0.003042 0.010241 0.013398 1Rh 3dxy 0.028955 0.054268 0.049623 0.042389 -0.016111 -0.027619 1Rh 4dz2 0.049979 -0.107878 0.032366 0.035778 -0.000401 0.012745 1Rh 4dxz 0.068366 0.024585 0.011357 0.014180 -0.003017 -0.049983 1Rh 4dyz -0.000753 -0.318408 0.034139 0.036139 -0.013582 -0.021085 1Rh 4dx2y2 -0.120033 -0.022374 -0.008118 -0.007698 -0.016555 -0.024492 1Rh 4dxy -0.041907 -0.123047 -0.089246 -0.077308 0.028947 0.052496 1Rh 5dz2 0.033658 0.264914 -0.042803 -0.075740 0.006258 -0.021186 1Rh 5dxz 0.031803 -0.046300 -0.017883 -0.060800 0.004064 0.070104 1Rh 5dyz 0.036567 0.716937 -0.050959 -0.066781 0.010435 0.016826 1Rh 5dx2y2 -0.029114 0.085967 0.020713 0.077641 0.009787 0.029387 1Rh 5dxy -0.011476 0.279917 0.109467 0.104402 -0.028794 -0.073210 1Rh 1f0 -0.014638 -0.001358 -0.000399 0.004378 0.001546 0.005709 1Rh 1f+1 0.009747 0.002008 0.001481 -0.003996 0.002214 0.002281 1Rh 1f-1 0.001860 -0.002872 0.002795 -0.000657 -0.000199 -0.002503 1Rh 1f+2 0.018689 -0.002607 0.005896 -0.005407 0.001922 0.004380 1Rh 1f-2 0.007610 0.004805 -0.000055 -0.004053 -0.002137 0.001027 1Rh 1f+3 0.020332 0.000003 0.005870 -0.005550 0.002582 -0.003610 1Rh 1f-3 0.012386 -0.005490 -0.003894 -0.005663 -0.003447 0.000332 2C 1s -0.017291 -0.013128 0.000360 0.000656 -0.000157 -0.000137 2C 2s -0.004122 0.001937 0.000872 -0.000293 -0.000159 -0.000371 2C 3s -1.757565 -1.743921 -0.031083 0.121960 -0.000968 0.009083 2C 4s 9.077811 8.828673 0.085737 -0.593824 0.038574 -0.040465 2C 5s -2.939419 -0.233106 0.022930 0.332112 -0.062774 -0.019102 2C 1pz -0.191296 -0.213228 -0.009852 0.015076 0.008477 -0.004821 2C 1px -0.027173 -0.031801 -0.005603 0.009879 0.001756 0.001586 2C 1py -0.129887 -0.144182 -0.002531 0.008846 -0.008691 0.010461 2C 2pz 4.424339 4.389066 0.073474 -0.272698 -0.072172 0.071322 2C 2px 0.752088 0.729892 0.052490 -0.108920 -0.000417 -0.037435 2C 2py 2.990179 2.975328 -0.034382 -0.164082 0.182368 -0.191522 2C 3pz -0.167961 0.432636 0.002557 0.054421 0.003359 -0.029813 2C 3px 0.036836 0.203182 0.015998 -0.009017 -0.004774 0.009671 2C 3py -0.134590 0.247911 0.020677 0.008672 -0.031929 0.030372 2C 1dz2 0.194760 0.187099 0.000941 -0.018928 0.005783 -0.007519 2C 1dxz 0.097522 0.097675 -0.009372 0.004332 0.001034 0.001080 2C 1dyz 0.300382 0.288789 0.000965 -0.011448 0.002599 -0.003487 2C 1dx2y2 -0.084370 -0.081740 -0.000499 0.000788 0.000372 -0.002350 2C 1dxy 0.067029 0.064174 -0.004801 0.005173 -0.002950 0.005417 2C 2dz2 0.981720 0.964845 0.003416 -0.054783 -0.004294 -0.003701 2C 2dxz 0.506257 0.521045 -0.025892 -0.024635 0.040362 -0.044482 2C 2dyz 1.438756 1.396330 0.022898 -0.102249 0.036255 -0.042586 2C 2dx2y2 -0.487821 -0.480142 -0.003826 0.001383 0.037156 -0.053009 2C 2dxy 0.267386 0.265032 0.051686 -0.033002 -0.093293 0.089266 2C 1f0 0.148330 0.133211 -0.001523 -0.021697 0.008740 -0.016908 2C 1f+1 0.123154 0.111146 0.004364 -0.015091 -0.018855 0.019196 2C 1f-1 0.543779 0.507671 0.007654 -0.028003 -0.004984 0.006107 2C 1f+2 -0.395606 -0.348448 -0.006165 0.022138 -0.009333 0.009115 2C 1f-2 0.368359 0.334696 -0.006724 -0.018806 0.002008 -0.004089 2C 1f+3 -0.108234 -0.083521 -0.010662 0.011024 0.015554 -0.021553 2C 1f-3 -0.014314 -0.018922 0.004347 -0.000161 0.002353 -0.004560 3C 1s -0.016137 0.014633 0.000139 -0.000400 0.000546 -0.000601 3C 2s -0.004355 -0.001515 0.000757 0.000898 0.000836 -0.000564 3C 3s -1.600150 1.890783 -0.046497 -0.135698 0.010164 -0.027911 3C 4s 8.291365 -9.593767 0.194758 0.661511 -0.136478 0.143894 3C 5s -2.880334 0.472797 0.022577 -0.428585 -0.007833 -0.010342 3C 1pz -0.110005 0.143679 -0.004533 -0.010559 -0.002488 -0.003414 3C 1px -0.060232 0.079798 0.001229 -0.003686 -0.007312 -0.002074 3C 1py 0.169015 -0.225950 0.011939 0.018269 -0.002382 -0.000846 3C 2pz 2.486828 -2.938290 0.031755 0.160929 -0.020673 0.090120 3C 2px 1.479681 -1.711615 -0.035426 0.119718 0.090300 0.062558 3C 2py -3.994402 4.713796 -0.146636 -0.349129 0.166912 0.024612 3C 3pz -0.176065 -0.133516 0.015462 -0.030866 -0.005150 -0.004680 3C 3px -0.053721 -0.227506 0.010379 -0.046965 -0.011995 0.011915 3C 3py 0.176191 0.454485 -0.016150 0.048214 -0.001719 -0.010575 3C 1dz2 -0.061367 0.069287 -0.002402 0.000897 0.001600 -0.006752 3C 1dxz 0.085744 -0.102253 0.010534 0.013519 -0.008696 -0.004090 3C 1dyz -0.239166 0.272042 0.001904 -0.015309 0.004776 0.004746 3C 1dx2y2 -0.177164 0.201714 0.006477 -0.001544 -0.003257 -0.012546 3C 1dxy -0.161662 0.185673 -0.009725 -0.014150 0.010129 -0.000778 3C 2dz2 -0.241614 0.294193 -0.025712 -0.027197 0.038510 0.031151 3C 2dxz 0.461786 -0.550899 0.053306 0.032531 -0.093380 -0.063402 3C 2dyz -1.130633 1.292307 -0.041593 -0.137711 0.022391 0.010375 3C 2dx2y2 -0.923573 1.080790 -0.008914 -0.051612 0.003626 -0.051156 3C 2dxy -0.786254 0.922986 0.005344 -0.033489 -0.018428 -0.027163 3C 1f0 -0.191122 0.226198 0.002764 -0.002581 -0.005824 -0.013012 3C 1f+1 0.027609 -0.018969 -0.004098 0.013357 0.010359 -0.000430 3C 1f-1 0.070175 -0.073479 -0.004135 -0.011957 0.009326 0.027028 3C 1f+2 -0.516912 0.557513 -0.006470 -0.031549 0.002230 -0.014762 3C 1f-2 -0.393139 0.419851 -0.008741 -0.031941 -0.004564 -0.006734 3C 1f+3 0.253079 -0.279966 0.019014 0.021575 -0.016992 -0.012447 3C 1f-3 -0.087546 0.091179 0.010366 -0.006601 -0.013157 -0.014968 4C 1s 0.009571 0.006237 0.000304 -0.000902 -0.000377 0.000143 4C 2s -0.001093 -0.008200 0.000004 -0.000514 -0.000938 0.000712 4C 3s 1.535688 1.820694 0.092254 -0.134651 0.003169 -0.039835 4C 4s -7.508348 -8.775593 -0.482528 0.672831 0.013562 0.187835 4C 5s 1.022801 0.751790 -0.117054 -0.125486 0.035284 0.033635 4C 1pz -0.256930 -0.206143 0.008329 0.015006 -0.011407 0.005562 4C 1px -0.049722 -0.039964 -0.003177 -0.002406 -0.001532 0.003013 4C 1py -0.167573 -0.137442 -0.000799 0.014828 0.008453 -0.008533 4C 2pz 4.713286 4.087024 -0.077633 -0.262897 0.079237 0.009308 4C 2px 0.716839 0.677165 0.017293 0.052123 -0.017310 -0.086623 4C 2py 3.044738 2.669823 -0.032638 -0.152602 -0.000796 0.002484 4C 3pz -0.360881 1.975769 -0.023285 0.115627 -0.024220 -0.004420 4C 3px -0.013203 0.392710 -0.034501 0.064739 0.007714 -0.030462 4C 3py -0.213529 1.352493 -0.027469 0.098403 -0.016349 -0.016121 4C 1dz2 -0.143826 -0.118802 0.006623 -0.005535 -0.005898 0.007155 4C 1dxz -0.055555 -0.010580 0.000045 -0.000610 0.000532 -0.001061 4C 1dyz -0.257112 -0.262785 -0.004298 0.010514 0.009280 -0.004973 4C 1dx2y2 0.035659 -0.026157 -0.009290 0.005995 0.003183 0.000007 4C 1dxy -0.075865 -0.098910 -0.007580 0.007831 -0.010417 0.011651 4C 2dz2 -1.128855 -1.080703 0.003608 0.034484 -0.025154 0.036832 4C 2dxz -0.665094 -0.549870 0.076801 0.020555 -0.062278 -0.025215 4C 2dyz -1.838886 -1.794192 -0.018575 0.134085 -0.018759 0.019175 4C 2dx2y2 0.522991 0.425466 -0.053851 -0.002265 -0.025836 0.037393 4C 2dxy -0.464818 -0.474644 -0.031620 0.063091 0.029850 -0.038314 4C 1f0 0.094633 0.104332 -0.007412 0.007052 0.016076 -0.021274 4C 1f+1 0.156432 0.183371 0.027265 -0.026570 -0.002440 -0.006293 4C 1f-1 0.530647 0.509384 -0.002349 -0.027483 0.005331 0.001297 4C 1f+2 -0.266709 -0.289768 -0.011735 0.021600 0.020254 0.001161 4C 1f-2 0.169689 0.160849 0.009568 -0.009714 0.010549 -0.016099 4C 1f+3 0.098480 0.081670 0.001177 -0.014431 0.002259 0.005875 4C 1f-3 0.081807 0.101031 0.011698 -0.029871 -0.001685 0.006781 5C 1s 0.009022 -0.007090 -0.000258 0.000743 0.000837 0.000379 5C 2s -0.000394 0.008235 -0.001157 0.000106 0.002162 0.000616 5C 3s 1.374497 -1.949586 0.090280 0.144069 -0.038932 0.018229 5C 4s -6.737885 9.415079 -0.445371 -0.718008 0.103350 -0.095074 5C 5s 0.944829 -0.825881 -0.082348 0.221195 0.042055 0.018489 5C 1pz -0.137104 0.132732 -0.002835 -0.007761 0.006156 -0.007177 5C 1px -0.088387 0.084625 0.005858 -0.007915 0.006242 0.004930 5C 1py 0.238014 -0.227436 -0.000452 0.021398 -0.004499 0.002863 5C 2pz 2.535486 -2.640356 0.042554 0.170703 -0.083174 0.085277 5C 2px 1.520161 -1.526208 -0.056884 0.090850 0.000880 -0.153813 5C 2py -4.312716 4.468293 -0.044562 -0.313537 0.107365 -0.065355 5C 3pz -0.313550 -1.179304 0.007734 -0.107163 0.003601 0.037026 5C 3px -0.147636 -0.739498 -0.001952 -0.015816 0.002881 -0.032900 5C 3py 0.509645 1.937446 -0.013799 0.173565 -0.005752 -0.059418 5C 1dz2 0.062775 -0.111932 0.001974 0.012940 0.007326 -0.003191 5C 1dxz -0.058785 0.028068 0.007119 0.004885 -0.016530 -0.010824 5C 1dyz 0.213479 -0.275779 0.005643 0.003913 0.006132 0.010317 5C 1dx2y2 0.115223 -0.070017 0.001868 -0.002197 0.002759 -0.009247 5C 1dxy 0.124038 -0.126975 -0.002000 0.005466 -0.001165 -0.000156 5C 2dz2 0.365485 -0.476683 0.051216 0.065279 -0.030770 0.014635 5C 2dxz -0.583956 0.607603 -0.025653 -0.029609 0.085718 -0.019650 5C 2dyz 1.449419 -1.704192 0.035359 0.127337 -0.044180 -0.016968 5C 2dx2y2 1.039043 -1.096734 -0.038015 0.057774 -0.026144 -0.030763 5C 2dxy 1.013330 -1.149724 0.036141 0.083791 -0.041671 0.088987 5C 1f0 -0.278852 0.303610 0.005279 -0.006521 0.006738 -0.027242 5C 1f+1 0.019911 -0.051768 0.008133 0.006397 0.005702 0.020353 5C 1f-1 -0.057573 0.069004 -0.010168 0.005154 0.009307 -0.018280 5C 1f+2 -0.311859 0.356847 -0.016459 -0.025794 0.007600 0.016870 5C 1f-2 -0.268322 0.331703 0.003113 -0.021908 -0.004953 0.008812 5C 1f+3 0.291054 -0.353987 0.003845 0.024217 -0.005212 0.021753 5C 1f-3 -0.150505 0.208029 -0.023127 -0.033365 -0.003721 -0.001065 6C 1s 0.009075 -0.007049 -0.000228 -0.000777 -0.000871 0.000250 6C 2s -0.000404 0.008225 -0.001135 -0.000192 -0.002208 0.000266 6C 3s 1.385382 -1.940797 0.094474 -0.141150 0.036680 0.025983 6C 4s -6.790674 9.371357 -0.466834 0.705300 -0.093713 -0.119392 6C 5s 0.944257 -0.831190 -0.079887 -0.220111 -0.047311 0.015753 6C 1pz 0.137759 -0.132382 0.002769 -0.007289 0.004929 0.008106 6C 1px 0.088654 -0.084183 -0.005614 -0.008310 0.006696 -0.003637 6C 1py -0.239150 0.226630 0.000138 0.020945 -0.003931 -0.003806 6C 2pz -2.548065 2.636183 -0.041172 0.162454 -0.066702 -0.100089 6C 2px -1.520716 1.511845 0.049464 0.095270 -0.024184 0.150568 6C 2py 4.332391 -4.457173 0.045843 -0.302588 0.093128 0.086414 6C 3pz 0.314814 1.178507 -0.003850 -0.111171 0.009802 -0.034674 6C 3px 0.148010 0.740127 0.001268 -0.015094 -0.003282 0.032723 6C 3py -0.511329 -1.937579 0.007927 0.179801 -0.015672 0.055920 6C 1dz2 0.063657 -0.111676 0.002408 -0.013110 -0.006361 -0.004123 6C 1dxz -0.058615 0.028367 0.007526 -0.004924 0.017788 -0.008111 6C 1dyz 0.214564 -0.274703 0.005962 -0.003816 -0.007668 0.009325 6C 1dx2y2 0.115176 -0.070068 0.001958 0.002548 -0.001627 -0.009547 6C 1dxy 0.124654 -0.127244 -0.002198 -0.005164 0.001048 0.000029 6C 2dz2 0.369988 -0.475137 0.053027 -0.063778 0.027870 0.020294 6C 2dxz -0.587414 0.608754 -0.023714 0.025943 -0.079290 -0.033710 6C 2dyz 1.457123 -1.694944 0.038553 -0.125538 0.047146 -0.008353 6C 2dx2y2 1.040578 -1.091999 -0.037554 -0.056541 0.030247 -0.025451 6C 2dxy 1.021491 -1.150264 0.035090 -0.078969 0.025729 0.096100 6C 1f0 0.280525 -0.303427 -0.005742 -0.006113 0.002071 0.028196 6C 1f+1 -0.020900 0.051962 -0.007995 0.006236 0.008718 -0.019369 6C 1f-1 0.057949 -0.068823 0.009752 0.005854 0.006152 0.019355 6C 1f+2 0.313528 -0.355367 0.017234 -0.024648 0.010245 -0.015222 6C 1f-2 0.269375 -0.329328 -0.002055 -0.022441 -0.002974 -0.009166 6C 1f+3 -0.293341 0.352994 -0.004175 0.024299 -0.001605 -0.022508 6C 1f-3 0.151777 -0.206900 0.024494 -0.032363 -0.003499 0.000912 7C 1s 0.009600 0.006263 0.000274 0.000952 0.000348 0.000192 7C 2s -0.001083 -0.008203 0.000016 0.000595 0.000801 0.000838 7C 3s 1.538974 1.825541 0.085036 0.137141 0.004322 -0.040387 7C 4s -7.524574 -8.798684 -0.447267 -0.688467 -0.048716 0.186338 7C 5s 1.028259 0.756655 -0.127037 0.119729 -0.040389 0.027112 7C 1pz 0.257065 0.206370 -0.009414 0.014349 -0.010264 -0.007282 7C 1px 0.049163 0.039529 0.002921 -0.002664 -0.001230 -0.003405 7C 1py 0.168851 0.138548 -0.000089 0.014711 0.006977 0.009604 7C 2pz -4.721377 -4.095402 0.094480 -0.251842 0.076494 0.004260 7C 2px -0.698411 -0.662072 -0.008928 0.057422 -0.024531 0.083520 7C 2py -3.065791 -2.689689 0.046126 -0.145899 0.000229 -0.001326 7C 3pz 0.366050 -1.971798 0.016800 0.121432 -0.025021 0.001029 7C 3px 0.012440 -0.391036 0.032086 0.068234 0.003697 0.029153 7C 3py 0.217632 -1.353746 0.022305 0.103754 -0.018793 0.013030 7C 1dz2 -0.142941 -0.118162 0.006783 0.006083 0.004757 0.007956 7C 1dxz -0.055809 -0.010598 -0.000455 0.000823 -0.000517 -0.001413 7C 1dyz -0.258480 -0.264066 -0.003945 -0.010716 -0.008345 -0.006157 7C 1dx2y2 0.036718 -0.025623 -0.008966 -0.006490 -0.003193 -0.000624 7C 1dxy -0.076316 -0.099367 -0.007689 -0.008400 0.008182 0.013077 7C 2dz2 -1.119605 -1.072091 0.009682 -0.030325 0.020626 0.040599 7C 2dxz -0.666866 -0.550689 0.077165 -0.016323 0.062495 -0.015767 7C 2dyz -1.848481 -1.804823 -0.009964 -0.132168 0.014994 0.022819 7C 2dx2y2 0.530998 0.433497 -0.055707 -0.001763 0.019082 0.040811 7C 2dxy -0.469347 -0.478546 -0.030427 -0.065628 -0.025778 -0.042634 7C 1f0 -0.091120 -0.101113 0.007591 0.007307 0.012734 0.023394 7C 1f+1 -0.154644 -0.181743 -0.025946 -0.027278 -0.003801 0.005710 7C 1f-1 -0.532293 -0.511068 0.003884 -0.027008 0.005241 -0.000248 7C 1f+2 0.268819 0.292114 0.010301 0.022306 0.019402 0.001555 7C 1f-2 -0.168860 -0.160308 -0.008752 -0.009297 0.007995 0.017669 7C 1f+3 -0.099664 -0.082618 -0.001003 -0.014178 0.002184 -0.005343 7C 1f-3 -0.084471 -0.103649 -0.011167 -0.030757 -0.001576 -0.006929 8C 1s -0.016218 0.014593 0.000138 0.000383 -0.000433 -0.000685 8C 2s -0.004365 -0.001516 0.000784 -0.000887 -0.000721 -0.000670 8C 3s -1.609213 1.885166 -0.048873 0.132477 -0.005659 -0.031428 8C 4s 8.336742 -9.564176 0.205299 -0.644445 0.110975 0.174215 8C 5s -2.892762 0.470966 0.011315 0.430870 0.010873 -0.015221 8C 1pz 0.110553 -0.143027 0.004735 -0.010251 -0.003027 0.003221 8C 1px 0.060421 -0.079412 -0.001285 -0.003783 -0.007194 0.000886 8C 1py -0.170142 0.225353 -0.012230 0.017714 -0.002481 0.000143 8C 2pz -2.498949 2.925038 -0.033532 0.155932 -0.004733 -0.095861 8C 2px -1.484982 1.703109 0.033555 0.119864 0.093052 -0.047764 8C 2py 4.017636 -4.699346 0.152464 -0.338840 0.166907 0.006868 8C 3pz 0.176337 0.134762 -0.014205 -0.031844 -0.006012 0.004245 8C 3px 0.051809 0.228873 -0.008629 -0.047819 -0.008893 -0.013437 8C 3py -0.176781 -0.451621 0.014921 0.049468 -0.002642 0.009514 8C 1dz2 -0.061708 0.069025 -0.002251 -0.001193 -0.000389 -0.006921 8C 1dxz 0.086414 -0.101974 0.011077 -0.012919 0.009007 -0.002573 8C 1dyz -0.240317 0.271280 0.001632 0.015219 -0.005542 0.003829 8C 1dx2y2 -0.177866 0.200590 0.006660 0.001681 0.004971 -0.011880 8C 1dxy -0.162615 0.185033 -0.010226 0.013420 -0.009564 -0.002652 8C 2dz2 -0.243284 0.293039 -0.025697 0.026470 -0.041477 0.024096 8C 2dxz 0.464728 -0.549695 0.054057 -0.030359 0.099396 -0.047580 8C 2dyz -1.136839 1.287535 -0.044165 0.135097 -0.023995 0.004819 8C 2dx2y2 -0.927392 1.075437 -0.009866 0.049894 0.003819 -0.051695 8C 2dxy -0.790941 0.920322 0.005669 0.032281 0.021564 -0.024670 8C 1f0 0.191008 -0.223986 -0.002703 -0.002370 -0.007342 0.011932 8C 1f+1 -0.023641 0.015065 0.003832 0.013219 0.009728 0.001923 8C 1f-1 -0.069662 0.072457 0.004796 -0.012116 0.013265 -0.025203 8C 1f+2 0.518543 -0.554841 0.007110 -0.030994 -0.000185 0.015319 8C 1f-2 0.398372 -0.422210 0.009336 -0.031302 -0.005529 0.006719 8C 1f+3 -0.252964 0.277806 -0.019242 0.020403 -0.017986 0.009352 8C 1f-3 0.089085 -0.092191 -0.010516 -0.007017 -0.014995 0.012937 9C 1s -0.017363 -0.013193 0.000395 -0.000629 0.000176 -0.000104 9C 2s -0.004151 0.001923 0.000849 0.000329 0.000229 -0.000336 9C 3s -1.763130 -1.750171 -0.023699 -0.121298 -0.001372 0.009886 9C 4s 9.104904 8.858999 0.048293 0.586000 -0.027772 -0.049648 9C 5s -2.955696 -0.247392 0.042092 -0.336884 0.063694 -0.008355 9C 1pz 0.191798 0.213764 0.008889 0.015157 0.007709 0.005973 9C 1px 0.027014 0.031583 0.005272 0.009948 0.002102 -0.001150 9C 1py 0.130408 0.144872 0.001967 0.008696 -0.006839 -0.011815 9C 2pz -4.429660 -4.396970 -0.054369 -0.269072 -0.061413 -0.080718 9C 2px -0.748032 -0.725143 -0.048730 -0.108810 -0.010150 0.030935 9C 2py -3.005163 -2.990253 0.045876 -0.158001 0.148368 0.219436 9C 3pz 0.171107 -0.427571 -0.005208 0.055996 -0.001505 0.029426 9C 3px -0.036673 -0.203271 -0.015657 -0.009520 -0.003026 -0.007990 9C 3py 0.133177 -0.254358 -0.021733 0.008736 -0.026551 -0.034584 9C 1dz2 0.193382 0.186009 0.000145 0.018589 -0.004371 -0.008470 9C 1dxz 0.096610 0.097017 -0.009437 -0.004560 -0.001309 0.000731 9C 1dyz 0.301994 0.290281 0.000064 0.011222 -0.002008 -0.003818 9C 1dx2y2 -0.085631 -0.082922 -0.000295 -0.000799 -0.000199 -0.002668 9C 1dxy 0.067146 0.064452 -0.004716 -0.005190 0.001955 0.005753 9C 2dz2 0.976072 0.958842 0.000036 0.053388 0.006166 -0.002447 9C 2dxz 0.502703 0.517959 -0.028124 0.021819 -0.034263 -0.052742 9C 2dyz 1.447154 1.405441 0.015611 0.100547 -0.028518 -0.048180 9C 2dx2y2 -0.493937 -0.487079 -0.003223 -0.001715 -0.028840 -0.059347 9C 2dxy 0.268407 0.266590 0.049423 0.035755 0.076155 0.100647 9C 1f0 -0.145034 -0.129904 0.002246 -0.021049 0.005471 0.018281 9C 1f+1 -0.123342 -0.111209 -0.003558 -0.015321 -0.015092 -0.021357 9C 1f-1 -0.543047 -0.507392 -0.006020 -0.027888 -0.004195 -0.006673 9C 1f+2 0.406646 0.358419 0.004647 0.022328 -0.007221 -0.010078 9C 1f-2 -0.365926 -0.332842 0.007901 -0.018230 0.001498 0.004891 9C 1f+3 0.105320 0.081014 0.010380 0.011365 0.012175 0.023846 9C 1f-3 0.020795 0.024424 -0.003934 0.000384 0.001663 0.004912 10H 1s -0.147833 -0.106877 -0.007878 0.021653 -0.006211 0.009936 10H 2s -0.110797 -0.072381 -0.031952 0.053934 -0.018386 0.038330 10H 3s 0.374197 0.213115 -0.003553 -0.034779 0.013586 -0.017694 10H 1pz -0.128668 -0.107438 -0.005503 0.019983 -0.013272 0.018145 10H 1px 0.073988 0.047590 0.008748 -0.018944 0.001093 -0.005889 10H 1py -0.059281 -0.050379 -0.011653 0.011391 0.012772 -0.011528 11H 1s -0.209857 -0.188452 0.015131 0.004200 -0.019860 0.018978 11H 2s -0.293262 -0.285002 0.063371 -0.000223 -0.113282 0.107367 11H 3s 0.523101 0.418529 -0.019955 -0.029777 0.049927 -0.048171 11H 1pz -0.163170 -0.143957 0.013655 0.010671 -0.029829 0.027157 11H 1px -0.136499 -0.127792 0.012069 0.001216 -0.014261 0.011790 11H 1py 0.032100 0.032842 -0.009788 0.001066 0.018586 -0.020930 12H 1s -0.185809 -0.155967 -0.007744 0.005098 0.026863 -0.034092 12H 2s -0.207209 -0.184699 -0.058320 0.012904 0.157203 -0.173905 12H 3s 0.470677 0.336701 0.025072 -0.053696 -0.048852 0.069712 12H 1pz -0.033716 -0.030113 0.003742 0.000922 -0.007390 0.010268 12H 1px -0.092761 -0.083818 -0.002176 -0.000441 0.017274 -0.022523 12H 1py -0.161195 -0.136091 -0.017903 0.010271 0.047712 -0.053310 13H 1s -0.141266 0.124276 0.009807 -0.016900 -0.020738 -0.012368 13H 2s -0.114114 0.088001 0.026911 -0.038872 -0.081997 -0.038005 13H 3s 0.361893 -0.246722 -0.001719 0.066735 0.023572 0.011357 13H 1pz -0.097294 0.089184 0.002956 -0.015007 -0.010420 -0.000828 13H 1px 0.050538 -0.037115 -0.009427 0.007869 0.023619 0.015410 13H 1py 0.104247 -0.106330 -0.009685 0.006067 0.017562 0.009572 14H 1s -0.159652 0.159392 -0.019043 -0.018408 0.024108 0.018015 14H 2s -0.149818 0.179017 -0.083316 -0.029695 0.126195 0.088514 14H 3s 0.404637 -0.357711 0.025195 0.037355 -0.037215 -0.017882 14H 1pz -0.076814 0.077681 -0.017763 -0.017929 0.019208 0.014433 14H 1px -0.133339 0.143539 -0.026230 -0.014390 0.036916 0.021642 14H 1py 0.046542 -0.050532 0.001030 0.005171 -0.001910 0.003845 15H 1s -0.196098 0.211306 0.006671 0.003743 -0.010728 -0.025649 15H 2s -0.292081 0.325650 0.033895 0.041905 -0.056263 -0.100992 15H 3s 0.499375 -0.473999 -0.007295 0.034605 0.015541 0.035885 15H 1pz 0.074624 -0.086555 -0.006937 -0.011111 0.010890 0.020884 15H 1px -0.061763 0.067639 -0.003899 0.000259 0.009416 0.000699 15H 1py 0.179743 -0.188021 -0.007511 0.000027 0.019309 0.035551 16H 1s -0.004663 0.012614 0.000900 0.001967 0.001605 -0.006642 16H 2s 0.006722 0.052158 -0.000421 0.030789 -0.001258 -0.013844 16H 3s 0.002766 -0.016446 -0.011066 0.001150 0.001135 -0.004062 16H 1pz 0.004147 0.027487 -0.002172 0.013221 0.000226 -0.008546 16H 1px -0.008936 -0.002711 0.014244 -0.002021 0.002685 0.000899 16H 1py 0.002925 0.015294 0.008947 -0.012121 0.003243 -0.006693 17H 1s -0.006340 -0.012545 -0.002820 0.005670 -0.002262 0.006667 17H 2s 0.001860 -0.044758 -0.013489 0.043817 -0.006382 0.022449 17H 3s 0.008938 0.013904 -0.010968 -0.000601 -0.005553 0.016490 17H 1pz 0.006289 0.015401 -0.001827 -0.014891 -0.000204 0.000312 17H 1px -0.005863 0.016327 0.018871 -0.017110 0.007541 -0.019758 17H 1py 0.000428 -0.016202 0.005756 -0.006463 0.000350 0.004553 18H 1s -0.006262 -0.012325 -0.002361 -0.005671 0.001235 0.006853 18H 2s 0.001969 -0.044260 -0.012095 -0.044327 0.002765 0.024215 18H 3s 0.008929 0.013669 -0.010933 -0.000293 0.002761 0.017250 18H 1pz -0.006287 -0.015816 0.002617 -0.014733 0.000070 0.000006 18H 1px 0.006014 -0.016160 -0.018350 -0.017850 0.004077 0.021044 18H 1py -0.000583 0.015215 -0.005821 -0.007338 0.000992 -0.004140 19H 1s -0.004826 0.012410 0.000719 -0.002144 -0.000499 -0.006772 19H 2s 0.006740 0.052074 0.001707 -0.029831 0.003062 -0.012094 19H 3s 0.002636 -0.016574 -0.010916 -0.000929 -0.000989 -0.003786 19H 1pz -0.003957 -0.026815 0.001663 0.013317 -0.001086 0.007752 19H 1px 0.008992 0.002945 -0.013960 -0.002179 0.002270 -0.000283 19H 1py -0.002885 -0.016125 -0.008581 -0.012305 0.002078 0.007345 20H 1s -0.196949 0.210561 0.006819 -0.003776 0.014639 -0.023809 20H 2s -0.292733 0.322948 0.035750 -0.041685 0.071318 -0.091318 20H 3s 0.501959 -0.471179 -0.006228 -0.034363 -0.020939 0.033857 20H 1pz -0.074929 0.085979 0.007316 -0.010978 0.014152 -0.019045 20H 1px 0.063406 -0.068909 0.003735 0.000589 0.008671 0.001241 20H 1py -0.179982 0.186491 0.007768 -0.000038 0.024462 -0.032298 21H 1s -0.161259 0.160249 -0.019530 0.017502 -0.025642 0.013639 21H 2s -0.152958 0.181225 -0.083991 0.026925 -0.134093 0.066660 21H 3s 0.408281 -0.358934 0.025910 -0.036488 0.037605 -0.010871 21H 1pz 0.078300 -0.078670 0.018418 -0.017369 0.020954 -0.011066 21H 1px 0.134494 -0.143960 0.026461 -0.013229 0.038236 -0.015090 21H 1py -0.046282 0.049609 -0.001074 0.005052 -0.001158 -0.004265 22H 1s -0.141657 0.124020 0.009451 0.017382 0.021591 -0.009122 22H 2s -0.114201 0.087846 0.026124 0.040194 0.082832 -0.024378 22H 3s 0.362800 -0.245931 -0.000142 -0.066518 -0.023700 0.008078 22H 1pz 0.097308 -0.088888 -0.002675 -0.015138 -0.009562 -0.000849 22H 1px -0.050581 0.037176 0.009306 0.008290 0.024831 -0.011502 22H 1py -0.105076 0.106338 0.009737 0.006448 0.018183 -0.006724 23H 1s -0.187909 -0.158339 -0.007229 -0.005739 -0.020793 -0.037597 23H 2s -0.211676 -0.190475 -0.056977 -0.016416 -0.126257 -0.195002 23H 3s 0.475194 0.343213 0.022220 0.055499 0.037007 0.075373 23H 1pz 0.032520 0.028798 -0.003925 0.000707 -0.005580 -0.011450 23H 1px 0.091768 0.083354 0.001734 -0.000329 0.012543 0.023488 23H 1py 0.164318 0.139485 0.017238 0.011421 0.038669 0.060232 24H 1s -0.210167 -0.188475 0.015399 -0.003618 0.016710 0.022578 24H 2s -0.291274 -0.283099 0.063717 0.003902 0.095858 0.127118 24H 3s 0.522905 0.418059 -0.021943 0.029015 -0.041398 -0.056461 24H 1pz 0.162123 0.142964 -0.014222 0.009713 -0.025026 -0.031937 24H 1px 0.138241 0.129431 -0.012606 0.000613 -0.013053 -0.015480 24H 1py -0.029806 -0.030536 0.009400 0.001491 0.014771 0.023671 25H 1s -0.148834 -0.107586 -0.007105 -0.021816 0.003686 0.009915 25H 2s -0.112827 -0.073407 -0.031216 -0.054685 0.009510 0.037490 25H 3s 0.376388 0.214402 -0.005262 0.034680 -0.009827 -0.017853 25H 1pz 0.129750 0.108149 0.004941 0.019990 -0.009797 -0.019647 25H 1px -0.074770 -0.048025 -0.008373 -0.019119 -0.000759 0.004844 25H 1py 0.059384 0.050739 0.011113 0.011620 0.010850 0.013573 26O 1s -0.000214 0.002084 0.000369 0.000245 -0.000004 0.000198 26O 2s 0.000091 0.008682 0.001541 0.000302 0.000083 0.000779 26O 3s -0.073371 -0.177081 -0.025145 0.014834 -0.000908 -0.009946 26O 4s 0.257738 0.608924 0.068642 -0.059128 0.000741 0.040444 26O 5s -0.128291 -0.794639 0.178372 -0.250848 -0.006312 -0.033768 26O 1pz 0.019839 0.035465 0.007922 -0.008170 -0.004861 0.003970 26O 1px -0.019539 -0.000584 0.002380 -0.004736 -0.003557 0.003520 26O 1py 0.010813 0.019955 -0.003962 0.002430 0.010171 -0.011325 26O 2pz -0.029570 -0.101643 -0.034330 0.034896 0.017277 -0.013240 26O 2px -0.131330 -0.281397 -0.047596 0.083323 0.011288 -0.023291 26O 2py -0.084589 -0.169426 -0.012378 0.027197 -0.029194 0.029668 26O 3pz -0.119153 -0.410124 0.010610 -0.075952 -0.001543 0.021255 26O 3px -0.013764 -0.134426 -0.080460 -0.005662 -0.000786 0.023647 26O 3py -0.071733 -0.287206 -0.031808 -0.009416 0.024187 -0.043222 26O 1dz2 0.016729 0.020860 0.000981 -0.006705 -0.009952 0.010141 26O 1dxz -0.009950 -0.014263 0.004980 -0.006922 -0.006471 0.004588 26O 1dyz -0.000528 0.015251 0.006286 -0.007804 0.001629 -0.006913 26O 1dx2y2 -0.005128 -0.010018 0.003166 0.000213 -0.007356 0.004115 26O 1dxy -0.013654 -0.015827 0.001945 0.000073 0.003315 0.003152 26O 2dz2 -0.029082 -0.082272 -0.013821 0.012927 0.005778 -0.003606 26O 2dxz -0.002824 -0.004712 0.018188 -0.017076 -0.002427 0.002535 26O 2dyz 0.008793 -0.006839 0.010996 -0.012135 -0.002154 0.003704 26O 2dx2y2 0.048115 0.100687 0.012046 -0.015803 -0.004682 0.004314 26O 2dxy 0.048273 0.085980 0.016612 -0.024364 0.008114 -0.003479 26O 1f0 0.012255 0.015498 0.140836 -0.088902 -0.402107 0.371150 26O 1f+1 -0.015370 -0.032733 -0.067952 0.049573 0.092279 -0.055301 26O 1f-1 0.017801 0.014317 0.058001 -0.089892 -0.002949 -0.052864 26O 1f+2 0.004752 0.020351 0.075101 -0.057465 -0.189749 0.174895 26O 1f-2 -0.043945 -0.040638 0.089846 -0.033461 -0.256086 0.235680 26O 1f+3 0.009446 0.005242 0.027519 -0.038661 -0.034056 0.007561 26O 1f-3 0.032444 0.010202 0.021171 0.007636 -0.060451 0.060712 27O 1s -0.000518 -0.001888 0.000309 -0.000064 -0.000556 0.000388 27O 2s -0.001469 -0.007993 0.001452 -0.000099 -0.001969 0.001978 27O 3s -0.042281 0.175070 -0.023587 -0.008501 0.019430 -0.035986 27O 4s 0.142139 -0.605266 0.072778 0.028488 -0.043569 0.148982 27O 5s -0.125541 0.778682 0.195919 0.147937 0.037030 -0.037729 27O 1pz 0.017663 -0.026258 -0.009452 0.003128 0.007129 0.006808 27O 1px -0.021182 -0.003730 0.004857 0.005369 -0.000191 -0.003274 27O 1py -0.013176 0.035630 0.001049 0.002137 0.002242 0.001110 27O 2pz -0.018309 0.042798 0.032859 -0.005338 -0.028672 -0.022257 27O 2px -0.073739 0.322365 -0.058850 -0.058008 0.003692 -0.060519 27O 2py 0.023374 -0.137464 0.001992 0.003255 -0.001908 0.008715 27O 3pz -0.045883 0.239495 0.020335 0.051367 0.002220 -0.001387 27O 3px 0.007556 0.210359 -0.109654 -0.030237 0.012778 -0.050248 27O 3py 0.106124 -0.420172 0.004477 -0.018179 -0.014025 0.053892 27O 1dz2 0.006653 -0.004507 0.003216 0.001547 0.004347 0.008906 27O 1dxz -0.005233 0.005045 -0.003513 0.004925 0.003183 -0.002202 27O 1dyz -0.004987 0.019755 -0.004771 -0.006146 -0.004611 0.001083 27O 1dx2y2 -0.014268 0.027194 -0.006050 -0.005201 -0.002701 0.004801 27O 1dxy 0.009150 -0.011177 0.001745 0.001167 0.000392 -0.004802 27O 2dz2 -0.026316 0.076253 -0.006648 -0.010317 -0.002239 -0.015903 27O 2dxz -0.007457 0.027140 -0.014728 -0.007886 0.010592 0.012470 27O 2dyz -0.010917 -0.008065 -0.006510 0.000114 0.002672 -0.003652 27O 2dx2y2 0.034337 -0.134917 0.013238 0.021198 -0.001160 0.020828 27O 2dxy -0.012035 0.026337 -0.001006 0.000364 0.004157 -0.012660 27O 1f0 -0.014403 0.021794 -0.003921 0.011658 0.009733 0.092245 27O 1f+1 0.027501 -0.013934 0.043951 -0.003604 -0.110683 -0.068282 27O 1f-1 -0.023345 0.022842 0.116786 -0.053608 -0.299284 -0.093944 27O 1f+2 -0.005623 0.008702 -0.014385 -0.018183 0.012862 0.093235 27O 1f-2 0.032962 -0.048338 0.004772 -0.014129 -0.016425 -0.020431 27O 1f+3 -0.002269 0.025025 -0.040198 0.001958 0.074608 0.030039 27O 1f-3 -0.027964 0.017299 -0.019145 0.008981 0.042488 -0.011855 28O 1s -0.000681 0.001665 0.000373 0.000105 0.000187 -0.000322 28O 2s -0.003135 0.006192 0.001768 0.000499 0.000338 -0.001410 28O 3s -0.004193 -0.127988 -0.029529 -0.001172 0.003893 0.021714 28O 4s -0.058276 0.387219 0.091556 0.000397 -0.036725 -0.076211 28O 5s -0.250353 -0.854832 0.253144 -0.056233 -0.028502 -0.073085 28O 1pz -0.003412 0.026817 -0.001633 -0.003216 -0.000002 -0.005257 28O 1px 0.035668 0.022720 -0.010748 -0.000806 0.002059 -0.001581 28O 1py 0.014742 0.025591 0.002475 0.003848 -0.004812 0.007288 28O 2pz 0.019479 -0.186155 -0.032472 0.018315 0.013422 0.042000 28O 2px -0.050982 0.102260 0.077275 -0.012537 -0.026805 -0.024908 28O 2py -0.018383 -0.080058 -0.013077 -0.009536 0.024041 -0.023407 28O 3pz -0.147081 -0.425993 -0.035168 0.006046 -0.002847 0.017486 28O 3px -0.132136 -0.088885 0.103327 -0.034231 -0.014180 -0.061106 28O 3py -0.115390 -0.290843 0.025142 0.027392 0.004309 0.043893 28O 1dz2 0.002508 0.003889 -0.000166 -0.005599 0.004671 -0.000768 28O 1dxz 0.012366 0.022591 0.007062 -0.002458 0.003182 -0.006551 28O 1dyz 0.005987 0.017137 0.005296 0.001254 -0.000047 -0.002256 28O 1dx2y2 -0.005010 -0.005239 -0.001989 0.003773 0.009217 -0.011129 28O 1dxy 0.007874 0.014847 0.004699 -0.004555 -0.006299 0.011583 28O 2dz2 0.005244 -0.006818 -0.003109 0.007531 0.005975 -0.006899 28O 2dxz -0.009002 -0.093116 -0.014386 0.006663 0.005104 0.014663 28O 2dyz 0.012126 0.001477 0.009486 0.008101 -0.006641 -0.001240 28O 2dx2y2 0.010045 0.069455 0.019239 -0.012472 -0.008037 -0.005305 28O 2dxy 0.005261 -0.010362 -0.000999 -0.003626 0.012553 -0.006118 28O 1f0 -0.019245 -0.026852 -0.016097 -0.020204 0.007261 -0.036701 28O 1f+1 0.024354 0.009067 -0.024081 -0.035754 0.045249 -0.059747 28O 1f-1 -0.036185 -0.034822 -0.043244 -0.010799 0.050352 -0.034257 28O 1f+2 -0.020819 0.001845 -0.061797 -0.028802 0.139374 -0.158459 28O 1f-2 0.037652 0.034864 -0.028975 0.005541 0.047110 -0.032610 28O 1f+3 -0.011830 -0.004867 0.092757 0.001956 -0.191382 0.181311 28O 1f-3 -0.023691 -0.037734 -0.001821 0.001434 0.050334 -0.055594 29O 1s -0.001888 0.000046 0.000143 0.001036 -0.000155 0.000068 29O 2s -0.006107 0.000111 0.000528 0.003120 -0.000476 0.000185 29O 3s 0.056136 -0.000075 -0.007395 -0.024386 0.003970 -0.000691 29O 4s -0.132104 -0.000883 0.031187 0.051272 -0.009105 -0.002724 29O 5s 0.188630 -0.007678 -0.059304 -0.144760 0.020297 0.003981 29O 1pz 0.002847 -0.011622 -0.001137 -0.002730 -0.001362 0.005424 29O 1px -0.013636 -0.003392 0.000911 0.010243 0.000092 0.000905 29O 1py 0.000772 -0.000071 0.000930 -0.000896 0.002582 -0.001863 29O 2pz -0.001758 0.062832 0.007679 0.004067 0.006009 -0.026117 29O 2px 0.030735 0.019904 -0.000582 -0.032364 0.001787 -0.007717 29O 2py 0.000468 -0.001260 -0.003709 0.008636 -0.007189 0.006477 29O 3pz 0.014166 0.004939 -0.009588 -0.004508 -0.000812 0.000672 29O 3px -0.067622 0.005490 0.037818 0.019928 -0.003633 -0.009375 29O 3py -0.007687 -0.002928 -0.016019 0.060395 0.002663 -0.001043 29O 1dz2 0.000567 -0.001661 0.007004 -0.005796 0.001748 -0.006524 29O 1dxz 0.002868 0.000125 0.007129 -0.008683 0.001023 0.002927 29O 1dyz 0.002605 -0.006058 -0.006362 0.003544 -0.002194 0.008355 29O 1dx2y2 -0.004096 -0.000459 -0.000889 0.008089 -0.001183 0.004485 29O 1dxy -0.004386 -0.001643 0.011021 -0.006607 0.003579 -0.005192 29O 2dz2 -0.003076 -0.016513 -0.001300 0.001621 -0.000892 0.003887 29O 2dxz -0.000262 0.012629 0.012712 -0.012781 0.003220 -0.007876 29O 2dyz -0.000146 -0.027089 -0.003182 0.000459 -0.002477 0.011748 29O 2dx2y2 0.000283 0.003405 -0.025448 0.027821 -0.004139 0.005552 29O 2dxy -0.004235 -0.011242 0.003047 0.003631 -0.000507 0.004169 29O 1f0 -0.002388 -0.001598 0.167457 -0.175792 0.028470 -0.034036 29O 1f+1 -0.000090 -0.011810 -0.140101 0.146829 -0.023267 0.024837 29O 1f-1 0.003936 -0.004067 -0.263753 0.266685 -0.043092 0.057006 29O 1f+2 0.014040 0.007831 -0.301688 0.294707 -0.047860 0.069167 29O 1f-2 0.005344 0.002278 0.069124 -0.086662 0.010351 -0.009723 29O 1f+3 0.017343 -0.005366 -0.126851 0.094260 -0.019649 0.033272 29O 1f-3 0.000517 -0.000994 0.425125 -0.450010 0.066829 -0.077749 30O 1s -0.000765 -0.001732 -0.000021 -0.000893 -0.000376 -0.000385 30O 2s -0.003137 -0.006425 -0.000014 -0.002829 -0.001133 -0.001876 30O 3s -0.005518 0.134336 -0.004194 0.017433 0.005398 0.029729 30O 4s -0.037635 -0.402300 0.006662 -0.033602 0.020223 -0.114609 30O 5s -0.113131 0.887789 0.075948 0.186408 0.067918 -0.032218 30O 1pz -0.000174 -0.013728 0.005688 0.007263 -0.003020 -0.003599 30O 1px 0.032681 -0.031322 0.007823 0.006275 -0.002425 -0.005822 30O 1py -0.000306 0.028428 0.000402 -0.002309 -0.005895 -0.008005 30O 2pz -0.007202 0.135406 -0.027757 -0.041962 0.001229 0.037405 30O 2px -0.029537 -0.074418 -0.014893 0.010376 0.023660 -0.021417 30O 2py -0.006787 -0.165500 0.014137 0.032018 0.033414 -0.010364 30O 3pz -0.037739 0.250619 -0.013382 0.067714 -0.002771 0.013652 30O 3px -0.116029 0.174240 0.040126 0.006449 0.020349 -0.048451 30O 3py 0.111487 -0.450222 0.007523 -0.058538 0.003347 -0.033438 30O 1dz2 -0.005859 0.008071 -0.000199 0.003355 -0.002474 -0.004338 30O 1dxz 0.006166 -0.017752 -0.001694 0.001123 -0.002343 0.001758 30O 1dyz 0.002684 0.008045 -0.005788 -0.007999 0.003844 0.002372 30O 1dx2y2 -0.005205 0.003044 -0.002149 -0.007925 -0.004915 0.000072 30O 1dxy -0.012082 0.026818 -0.000853 -0.005267 -0.001228 -0.001578 30O 2dz2 -0.006741 0.019120 0.004940 0.000743 -0.006926 0.001842 30O 2dxz -0.012713 0.073993 -0.010158 -0.009256 0.002662 0.011739 30O 2dyz -0.016746 0.038275 -0.011856 -0.013072 0.000961 0.017510 30O 2dx2y2 0.004174 -0.045382 -0.010403 -0.004614 0.002962 0.008988 30O 2dxy -0.000363 -0.069312 0.006624 0.010316 0.012554 -0.007485 30O 1f0 0.029337 -0.020741 -0.077196 -0.060951 0.080512 0.051044 30O 1f+1 -0.016456 0.030652 -0.022678 -0.029836 -0.037095 -0.107499 30O 1f-1 0.012261 -0.021706 -0.055296 -0.028475 0.144983 0.185104 30O 1f+2 0.019477 -0.028789 0.020366 -0.028915 -0.134767 -0.155561 30O 1f-2 -0.043986 0.030558 -0.090993 -0.085825 0.108839 0.101480 30O 1f+3 0.005464 0.005267 -0.051389 -0.019328 0.134493 0.148930 30O 1f-3 0.019772 -0.040023 0.022969 0.059398 0.023987 0.020566 31O 1s -0.000768 -0.001719 -0.000009 0.000866 0.000450 -0.000342 31O 2s -0.003146 -0.006331 0.000059 0.002713 0.001488 -0.001744 31O 3s -0.005629 0.132131 -0.005799 -0.015944 -0.011097 0.029136 31O 4s -0.038436 -0.394204 0.012039 0.029158 0.001797 -0.117960 31O 5s -0.111967 0.898870 0.088397 -0.195572 -0.058791 -0.040242 31O 1pz 0.000054 0.013209 -0.006082 0.007232 -0.003330 0.003043 31O 1px -0.032811 0.031734 -0.007744 0.005599 -0.003212 0.005173 31O 1py 0.000632 -0.027962 -0.000422 -0.002216 -0.006915 0.007047 31O 2pz 0.007567 -0.131390 0.030900 -0.042634 0.007209 -0.036472 31O 2px 0.029762 0.069501 0.011909 0.013916 0.018392 0.025300 31O 2py 0.005805 0.161534 -0.016300 0.032476 0.029900 0.015019 31O 3pz 0.039590 -0.248946 0.012565 0.065682 0.001938 -0.014694 31O 3px 0.115513 -0.179037 -0.043089 0.009379 0.011015 0.050844 31O 3py -0.113956 0.448696 -0.008432 -0.055992 -0.002543 0.034381 31O 1dz2 -0.005877 0.007923 -0.000034 -0.003421 0.003002 -0.003657 31O 1dxz 0.006164 -0.017624 -0.001829 -0.001027 0.001634 0.002225 31O 1dyz 0.002490 0.008013 -0.006140 0.007890 -0.004113 0.001509 31O 1dx2y2 -0.005204 0.003024 -0.002256 0.007758 0.004588 0.000841 31O 1dxy -0.012154 0.026586 -0.000929 0.005244 0.001333 -0.001471 31O 2dz2 -0.006899 0.018620 0.004882 -0.000286 0.006310 0.002939 31O 2dxz -0.012989 0.072497 -0.011177 0.009733 -0.004780 0.011132 31O 2dyz -0.017179 0.036938 -0.013193 0.013341 -0.004147 0.017062 31O 2dx2y2 0.004185 -0.044902 -0.010568 0.003903 -0.004293 0.008343 31O 2dxy -0.000026 -0.067921 0.007674 -0.010680 -0.010625 -0.009267 31O 1f0 -0.029690 0.020711 0.078965 -0.058892 0.083847 -0.035695 31O 1f+1 0.016406 -0.030507 0.023285 -0.027770 -0.052279 0.100558 31O 1f-1 -0.012563 0.021825 0.056651 -0.028045 0.166420 -0.158856 31O 1f+2 -0.019791 0.028655 -0.019690 -0.027538 -0.153491 0.131872 31O 1f-2 0.043918 -0.030525 0.093815 -0.083185 0.118705 -0.080837 31O 1f+3 -0.005257 -0.005256 0.052659 -0.018982 0.151509 -0.124571 31O 1f-3 -0.019873 0.039794 -0.025001 0.058018 0.026581 -0.017096 32O 1s -0.001895 0.000044 0.000192 -0.001026 0.000139 0.000107 32O 2s -0.006132 0.000102 0.000676 -0.003087 0.000428 0.000300 32O 3s 0.056323 0.000052 -0.008524 0.024069 -0.003695 -0.001563 32O 4s -0.132222 -0.001160 0.033488 -0.050193 0.009246 -0.000732 32O 5s 0.187837 -0.007970 -0.065982 0.142071 -0.020663 -0.002165 32O 1pz -0.002891 0.011496 0.001156 -0.002698 -0.000490 -0.005520 32O 1px 0.013788 0.003278 -0.001454 0.010143 0.000115 -0.000903 32O 1py -0.000712 0.000292 -0.000937 -0.000973 0.002205 0.002205 32O 2pz 0.002024 -0.062305 -0.007729 0.003367 0.001883 0.026437 32O 2px -0.031035 -0.019279 0.002203 -0.032263 0.000843 0.008080 32O 2py -0.000734 -0.000279 0.003187 0.008567 -0.005952 -0.007285 32O 3pz -0.014163 -0.005221 0.008163 -0.006171 -0.000381 -0.000655 32O 3px 0.067379 -0.005797 -0.039233 0.018004 -0.005299 0.008553 32O 3py 0.008120 0.003045 0.013641 0.061014 0.002388 0.000528 32O 1dz2 0.000479 -0.001663 0.007249 0.006334 -0.000645 -0.007112 32O 1dxz 0.002942 0.000137 0.006091 0.008315 -0.001112 0.002697 32O 1dyz 0.002581 -0.006019 -0.005938 -0.003530 0.000715 0.008492 32O 1dx2y2 -0.004113 -0.000480 -0.000862 -0.008431 0.000535 0.004653 32O 1dxy -0.004364 -0.001605 0.010897 0.006969 -0.002297 -0.005817 32O 2dz2 -0.002993 -0.015493 -0.001041 -0.001680 0.000301 0.003274 32O 2dxz -0.000154 0.012960 0.012007 0.013173 -0.001782 -0.008644 32O 2dyz -0.000158 -0.027238 -0.003743 -0.001370 0.000711 0.012070 32O 2dx2y2 0.000265 0.003881 -0.024388 -0.028645 0.002907 0.006190 32O 2dxy -0.004210 -0.010627 0.003220 -0.003613 -0.000039 0.004072 32O 1f0 0.002606 0.001131 -0.173285 -0.195556 0.022469 0.043191 32O 1f+1 0.000193 0.012148 0.138462 0.156880 -0.018014 -0.030535 32O 1f-1 -0.004331 0.004299 0.255072 0.276731 -0.030561 -0.066331 32O 1f+2 -0.013769 -0.007840 0.269800 0.282041 -0.030266 -0.073775 32O 1f-2 -0.005067 -0.002179 -0.059902 -0.081655 0.007641 0.010730 32O 1f+3 -0.017665 0.004666 0.131828 0.107520 -0.012901 -0.039246 32O 1f-3 -0.000602 0.000973 -0.412747 -0.471037 0.050190 0.092854 33O 1s -0.000714 0.001668 0.000376 -0.000101 -0.000145 -0.000346 33O 2s -0.003300 0.006167 0.001765 -0.000461 -0.000175 -0.001447 33O 3s -0.001600 -0.127069 -0.028907 0.000269 -0.006124 0.021007 33O 4s -0.067924 0.382271 0.089674 0.002553 0.043306 -0.070700 33O 5s -0.256228 -0.861624 0.244474 0.070268 0.040880 -0.066408 33O 1pz 0.003572 -0.026672 0.001782 -0.003259 -0.000964 0.005199 33O 1px -0.036339 -0.023204 0.010502 -0.000388 0.001867 0.001912 33O 1py -0.014529 -0.025472 -0.002568 0.003506 -0.003536 -0.008025 33O 2pz -0.022646 0.183706 0.030490 0.020296 0.018782 -0.039785 33O 2px 0.056341 -0.098584 -0.074536 -0.015635 -0.028964 0.020754 33O 2py 0.017232 0.079321 0.013175 -0.008067 0.019612 0.026936 33O 3pz 0.145971 0.425826 0.036148 0.006363 -0.001091 -0.017734 33O 3px 0.134345 0.090494 -0.101315 -0.038191 -0.023238 0.058441 33O 3py 0.118165 0.293686 -0.023902 0.025140 0.011404 -0.043230 33O 1dz2 0.002464 0.003838 -0.000396 0.005582 -0.004417 -0.001338 33O 1dxz 0.012144 0.022405 0.006880 0.002403 -0.001972 -0.006992 33O 1dyz 0.006187 0.017299 0.005096 -0.000890 0.000585 -0.002175 33O 1dx2y2 -0.005043 -0.005280 -0.001748 -0.003810 -0.007245 -0.012221 33O 1dxy 0.007768 0.014819 0.004567 0.004643 0.004419 0.012324 33O 2dz2 0.005037 -0.007073 -0.003026 -0.007269 -0.005163 -0.007641 33O 2dxz -0.007530 -0.092190 -0.013350 -0.007532 -0.006670 0.013860 33O 2dyz 0.011909 0.001386 0.009430 -0.007395 0.006424 -0.000122 33O 2dx2y2 0.008922 0.068758 0.018330 0.013117 0.008538 -0.004160 33O 2dxy 0.005522 -0.010228 -0.001067 0.003139 -0.011189 -0.007963 33O 1f0 0.018566 0.026297 0.015796 -0.019569 0.001345 0.038065 33O 1f+1 -0.024370 -0.009059 0.024703 -0.033736 0.034818 0.066199 33O 1f-1 0.036742 0.035359 0.044048 -0.008181 0.041658 0.041210 33O 1f+2 0.020676 -0.002106 0.061725 -0.024019 0.111549 0.178284 33O 1f-2 -0.038098 -0.035211 0.029552 0.007196 0.038758 0.038845 33O 1f+3 0.011819 0.004855 -0.091692 -0.004164 -0.158452 -0.207571 33O 1f-3 0.023642 0.037654 0.001532 0.002163 0.042703 0.062701 34O 1s -0.000475 -0.001883 0.000314 0.000088 0.000486 0.000466 34O 2s -0.001283 -0.007981 0.001459 0.000187 0.001630 0.002253 34O 3s -0.045261 0.174972 -0.023712 0.007357 -0.013547 -0.038643 34O 4s 0.151816 -0.606222 0.073407 -0.024743 0.019157 0.154301 34O 5s -0.119069 0.777758 0.195406 -0.147496 -0.026987 -0.040978 34O 1pz -0.017679 0.026016 0.009189 0.003472 0.007841 -0.005594 34O 1px 0.020779 0.003933 -0.004873 0.005277 -0.000885 0.003075 34O 1py 0.013340 -0.035592 -0.001179 0.001847 0.002298 -0.000780 34O 2pz 0.017847 -0.042063 -0.032156 -0.006674 -0.030859 0.017372 34O 2px 0.079543 -0.323379 0.059175 -0.056501 -0.005155 0.061290 34O 2py -0.024701 0.137683 -0.001697 0.004290 -0.000378 -0.008858 34O 3pz 0.045246 -0.238592 -0.021226 0.052028 0.000302 0.000855 34O 3px -0.002685 -0.208328 0.112255 -0.025543 0.005450 0.050886 34O 3py -0.106709 0.417113 -0.006998 -0.021406 -0.005622 -0.054445 34O 1dz2 0.006712 -0.004599 0.003332 -0.001251 -0.005340 0.007978 34O 1dxz -0.005269 0.004980 -0.003360 -0.004992 -0.002929 -0.002668 34O 1dyz -0.005208 0.019654 -0.004861 0.006065 0.004086 0.001785 34O 1dx2y2 -0.014393 0.027152 -0.006054 0.004954 0.001875 0.004952 34O 1dxy 0.009269 -0.011274 0.001978 -0.000888 0.000254 -0.004830 34O 2dz2 -0.027438 0.076147 -0.006637 0.010249 0.004506 -0.015494 34O 2dxz -0.007858 0.027247 -0.015014 0.007178 -0.012286 0.010544 34O 2dyz -0.011122 -0.008105 -0.006298 -0.000238 -0.002071 -0.004061 34O 2dx2y2 0.035975 -0.134790 0.013739 -0.020733 -0.001896 0.020950 34O 2dxy -0.012836 0.026386 -0.000540 0.000260 -0.002123 -0.013161 34O 1f0 0.014228 -0.021981 0.001706 0.010544 0.023634 -0.088971 34O 1f+1 -0.027525 0.013799 -0.043980 -0.003972 -0.116365 0.048981 34O 1f-1 0.023335 -0.022763 -0.114689 -0.056067 -0.300367 0.044968 34O 1f+2 0.005602 -0.009009 0.013633 -0.018483 0.026455 -0.089095 34O 1f-2 -0.033186 0.048166 -0.003785 -0.013921 -0.019088 0.017912 34O 1f+3 0.002430 -0.024840 0.040082 0.002767 0.076331 -0.017231 34O 1f-3 0.027982 -0.017271 0.018470 0.009782 0.038606 0.018391 35O 1s -0.000183 0.002104 0.000422 -0.000211 -0.000006 0.000200 35O 2s 0.000233 0.008787 0.001724 -0.000157 -0.000110 0.000771 35O 3s -0.075682 -0.178985 -0.026762 -0.016992 0.000891 -0.009875 35O 4s 0.265773 0.615633 0.073078 0.065364 -0.001073 0.040871 35O 5s -0.121606 -0.788328 0.172872 0.265868 0.012467 -0.035101 35O 1pz -0.020010 -0.035714 -0.007528 -0.008380 -0.004169 -0.004616 35O 1px 0.019111 0.000058 -0.002576 -0.005248 -0.002836 -0.003952 35O 1py -0.010742 -0.020019 0.003929 0.002666 0.008191 0.012678 35O 2pz 0.030521 0.102782 0.033045 0.035972 0.015280 0.015597 35O 2px 0.136262 0.286326 0.047553 0.087912 0.009714 0.024656 35O 2py 0.085951 0.171076 0.012154 0.028121 -0.022729 -0.033567 35O 3pz 0.115658 0.406932 -0.007287 -0.076321 0.002637 -0.020193 35O 3px 0.015976 0.136249 0.083804 0.001118 0.005449 -0.022597 35O 3py 0.072983 0.288899 0.034800 -0.006064 0.017800 0.046340 35O 1dz2 0.016687 0.020858 0.000630 0.006739 0.008100 0.011402 35O 1dxz -0.010128 -0.014420 0.004722 0.007156 0.005733 0.005326 35O 1dyz -0.000461 0.015360 0.005906 0.007991 -0.000402 -0.007018 35O 1dx2y2 -0.005268 -0.010149 0.003403 0.000190 0.006537 0.004998 35O 1dxy -0.013740 -0.015925 0.001900 -0.000056 -0.003843 0.002495 35O 2dz2 -0.029816 -0.083009 -0.013781 -0.013934 -0.005552 -0.004563 35O 2dxz -0.002623 -0.004526 0.017874 0.017697 0.002442 0.002772 35O 2dyz 0.009215 -0.006416 0.010794 0.012675 0.001851 0.003859 35O 2dx2y2 0.048989 0.101603 0.012029 0.016941 0.004382 0.005052 35O 2dxy 0.049238 0.087004 0.016475 0.025451 -0.006571 -0.004727 35O 1f0 -0.012319 -0.015555 -0.138056 -0.097856 -0.335641 -0.426319 35O 1f+1 0.015073 0.032536 0.065712 0.052798 0.081422 0.068540 35O 1f-1 -0.018028 -0.014412 -0.053771 -0.090466 -0.010272 0.051047 35O 1f+2 -0.005047 -0.020654 -0.073208 -0.061593 -0.158011 -0.200845 35O 1f-2 0.044185 0.040839 -0.088928 -0.039656 -0.213633 -0.270923 35O 1f+3 -0.008976 -0.004791 -0.026094 -0.039536 -0.031938 -0.012444 35O 1f-3 -0.032342 -0.010140 -0.021235 0.005918 -0.049557 -0.068656 618 619 620 621 622 623 5.15520 5.16928 5.17083 5.17218 5.17666 5.17916 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s 0.000015 -0.000036 0.000030 -0.000179 0.000095 0.000049 0Rh 2s 0.000310 0.000390 -0.000223 0.000893 -0.000591 -0.000407 0Rh 3s 0.000274 0.000016 0.000048 -0.000547 0.000219 0.000053 0Rh 4s -0.001671 -0.002271 0.001311 -0.005606 0.003631 0.002428 0Rh 5s 0.005118 0.005871 -0.003016 0.013424 -0.009063 -0.006234 0Rh 6s -0.009971 -0.007364 0.002084 -0.009823 0.008698 0.007182 0Rh 7s 0.018266 0.010733 0.002478 -0.014577 -0.012479 -0.019643 0Rh 8s -0.037450 0.062485 -0.010625 0.039242 0.039976 0.004783 0Rh 1pz -0.019282 -0.002450 0.012118 0.030568 -0.015909 0.022528 0Rh 1px 0.006148 -0.003684 0.007115 0.002331 -0.008262 0.003711 0Rh 1py -0.023343 0.016572 -0.008214 0.016121 0.021883 0.008139 0Rh 2pz 0.078947 0.010052 -0.049460 -0.125232 0.065087 -0.091826 0Rh 2px -0.025163 0.015150 -0.029074 -0.009581 0.033842 -0.015080 0Rh 2py 0.095493 -0.067889 0.033669 -0.065982 -0.089650 -0.033236 0Rh 3pz -0.236989 -0.030530 0.145593 0.377491 -0.194466 0.267892 0Rh 3px 0.075363 -0.046817 0.086134 0.029661 -0.101947 0.043175 0Rh 3py -0.285282 0.204692 -0.101784 0.197753 0.270241 0.098090 0Rh 4pz 0.274004 0.036327 -0.160147 -0.441052 0.221931 -0.287429 0Rh 4px -0.086678 0.058286 -0.096007 -0.037925 0.119100 -0.044095 0Rh 4py 0.326387 -0.239731 0.119711 -0.227921 -0.315828 -0.108610 0Rh 5pz -0.129292 -0.019541 0.060469 0.213392 -0.097044 0.094882 0Rh 5px 0.041124 -0.033820 0.038573 0.026858 -0.057385 0.010628 0Rh 5py -0.149674 0.118143 -0.060421 0.104701 0.152617 0.042997 0Rh 6pz 0.179196 0.044219 -0.050532 -0.271008 0.087473 -0.074178 0Rh 6px -0.042654 0.009735 -0.047128 -0.071263 0.055256 -0.005338 0Rh 6py 0.245028 -0.154424 0.092873 -0.097967 -0.165880 -0.065445 0Rh 1dz2 -0.003417 0.000988 -0.001510 0.004483 -0.000687 -0.003448 0Rh 1dxz 0.004508 0.002005 0.000822 -0.011315 0.002966 0.006072 0Rh 1dyz -0.002991 0.002673 -0.000879 -0.000161 0.005951 0.000014 0Rh 1dx2y2 -0.001786 0.002451 0.000215 0.000962 0.003354 0.001978 0Rh 1dxy 0.008368 -0.008020 0.004177 -0.004908 -0.007572 0.000775 0Rh 2dz2 -0.000211 0.001498 0.000470 -0.000241 -0.001500 0.001610 0Rh 2dxz -0.000292 0.000585 -0.000697 0.000940 -0.000496 -0.001701 0Rh 2dyz 0.000222 -0.000835 -0.000009 0.000269 -0.000655 0.000288 0Rh 2dx2y2 0.000423 0.000731 -0.000246 -0.000688 -0.000958 -0.000253 0Rh 2dxy 0.000311 0.000671 -0.000133 -0.000000 0.000157 -0.000388 0Rh 3dz2 0.016684 -0.011473 0.004772 -0.019486 0.010039 0.008488 0Rh 3dxz -0.019456 -0.011930 -0.000612 0.047680 -0.011363 -0.020219 0Rh 3dyz 0.012754 -0.008487 0.004064 -0.000525 -0.024268 -0.001471 0Rh 3dx2y2 0.006302 -0.014528 0.000173 -0.001262 -0.010980 -0.007968 0Rh 3dxy -0.039951 0.033776 -0.018681 0.022565 0.034132 -0.001835 0Rh 4dz2 -0.032197 0.028593 -0.006508 0.034403 -0.025062 -0.008463 0Rh 4dxz 0.035789 0.025114 -0.001861 -0.083051 0.018828 0.030246 0Rh 4dyz -0.023095 0.012274 -0.007524 0.002344 0.041133 0.005018 0Rh 4dx2y2 -0.010328 0.028708 -0.001868 -0.000541 0.015476 0.013898 0Rh 4dxy 0.076768 -0.059156 0.034850 -0.041344 -0.062235 0.001939 0Rh 5dz2 0.044652 -0.059779 0.000221 -0.028888 0.042925 -0.010780 0Rh 5dxz -0.046078 -0.040250 0.009412 0.076407 -0.017071 -0.018862 0Rh 5dyz 0.026876 -0.004807 0.009230 -0.003332 -0.043130 -0.018466 0Rh 5dx2y2 0.009097 -0.027909 0.009255 0.005906 -0.002449 -0.014688 0Rh 5dxy -0.109952 0.058094 -0.045253 0.046252 0.064088 0.000347 0Rh 1f0 -0.000449 0.000204 -0.000733 -0.006841 0.006603 0.002855 0Rh 1f+1 0.001155 0.005434 -0.000433 -0.012150 0.003781 -0.000813 0Rh 1f-1 -0.004980 0.002165 -0.005085 0.001747 0.001000 -0.012143 0Rh 1f+2 0.002225 0.004488 0.003239 0.006498 0.000120 0.009243 0Rh 1f-2 -0.001636 -0.003373 -0.001550 0.001523 -0.002942 -0.001828 0Rh 1f+3 0.000298 0.002106 -0.000265 0.002337 0.008134 -0.005122 0Rh 1f-3 0.000452 -0.007561 0.000394 -0.007366 -0.007139 0.000541 1Rh 1s 0.000014 0.000036 0.000034 0.000177 -0.000092 0.000043 1Rh 2s 0.000319 -0.000391 -0.000249 -0.000881 0.000563 -0.000370 1Rh 3s 0.000275 -0.000019 0.000054 0.000542 -0.000217 0.000038 1Rh 4s -0.001721 0.002276 0.001470 0.005536 -0.003466 0.002205 1Rh 5s 0.005252 -0.005884 -0.003413 -0.013257 0.008633 -0.005685 1Rh 6s -0.010158 0.007387 0.002486 0.009694 -0.008178 0.006700 1Rh 7s 0.018949 -0.010412 0.002103 0.014438 0.011772 -0.019355 1Rh 8s -0.037620 -0.062856 -0.012583 -0.037895 -0.040077 0.003634 1Rh 1pz 0.019464 -0.002512 -0.012195 0.030571 -0.015468 -0.022666 1Rh 1px -0.006183 -0.003705 -0.007292 0.002474 -0.008083 -0.003694 1Rh 1py 0.023680 0.016595 0.008617 0.015934 0.021611 -0.007886 1Rh 2pz -0.079690 0.010309 0.049774 -0.125244 0.063285 0.092389 1Rh 2px 0.025306 0.015237 0.029798 -0.010164 0.033111 0.015010 1Rh 2py -0.096873 -0.067983 -0.035323 -0.065215 -0.088537 0.032197 1Rh 3pz 0.239183 -0.031353 -0.146511 0.377501 -0.189151 -0.269549 1Rh 3px -0.075793 -0.047088 -0.088315 0.031404 -0.099795 -0.042981 1Rh 3py 0.289420 0.204979 0.106801 0.195466 0.266936 -0.094964 1Rh 4pz -0.276425 0.037426 0.161132 -0.440990 0.216053 0.289241 1Rh 4px 0.087176 0.058622 0.098538 -0.039915 0.116737 0.043943 1Rh 4py -0.331167 -0.240084 -0.125679 -0.225314 -0.312116 0.104978 1Rh 5pz 0.130199 -0.020328 -0.060806 0.213212 -0.094765 -0.095499 1Rh 5px -0.041390 -0.034003 -0.039689 0.027763 -0.056499 -0.010715 1Rh 5py 0.151881 0.118364 0.063533 0.103508 0.151102 -0.041300 1Rh 6pz -0.181227 0.044471 0.050488 -0.270280 0.084669 0.073888 1Rh 6px 0.043671 0.009750 0.046133 -0.072362 0.054572 0.005221 1Rh 6py -0.246719 -0.154697 -0.096965 -0.096082 -0.164646 0.063964 1Rh 1dz2 -0.003430 -0.000967 -0.001547 -0.004459 0.000721 -0.003518 1Rh 1dxz 0.004479 -0.002127 0.000829 0.011263 -0.003017 0.006021 1Rh 1dyz -0.003177 -0.002787 -0.001047 0.000153 -0.006062 -0.000087 1Rh 1dx2y2 -0.001924 -0.002512 0.000096 -0.000977 -0.003414 0.002000 1Rh 1dxy 0.008456 0.008041 0.004373 0.004810 0.007548 0.000869 1Rh 2dz2 -0.000220 -0.001504 0.000488 0.000239 0.001482 0.001630 1Rh 2dxz -0.000287 -0.000568 -0.000698 -0.000930 0.000524 -0.001696 1Rh 2dyz 0.000240 0.000848 0.000011 -0.000267 0.000658 0.000316 1Rh 2dx2y2 0.000433 -0.000728 -0.000221 0.000689 0.000974 -0.000261 1Rh 2dxy 0.000307 -0.000672 -0.000141 -0.000003 -0.000169 -0.000389 1Rh 3dz2 0.016786 0.011404 0.004864 0.019385 -0.010112 0.008718 1Rh 3dxz -0.019342 0.012415 -0.000638 -0.047486 0.011471 -0.020008 1Rh 3dyz 0.013535 0.008954 0.004748 0.000554 0.024768 -0.001135 1Rh 3dx2y2 0.006894 0.014796 0.000604 0.001331 0.011183 -0.008038 1Rh 3dxy -0.040337 -0.033869 -0.019542 -0.022095 -0.033970 -0.002262 1Rh 4dz2 -0.032446 -0.028493 -0.006612 -0.034234 0.025101 -0.008802 1Rh 4dxz 0.035599 -0.025948 -0.001829 0.082725 -0.018900 0.029870 1Rh 4dyz -0.024525 -0.013108 -0.008713 -0.002405 -0.042103 0.004531 1Rh 4dx2y2 -0.011394 -0.029208 -0.002540 0.000425 -0.015799 0.014007 1Rh 4dxy 0.077426 0.059322 0.036387 0.040436 0.061855 0.002726 1Rh 5dz2 0.045197 0.059728 0.000319 0.028768 -0.042664 -0.010469 1Rh 5dxz -0.045930 0.041100 0.009456 -0.076048 0.016794 -0.018344 1Rh 5dyz 0.028948 0.005907 0.010621 0.003494 0.044628 -0.017982 1Rh 5dx2y2 0.010431 0.028618 0.009630 -0.005820 0.002790 -0.014815 1Rh 5dxy -0.110312 -0.058252 -0.046715 -0.044959 -0.063273 -0.000442 1Rh 1f0 0.000479 0.000259 0.000803 -0.006842 0.006671 -0.002822 1Rh 1f+1 -0.001163 0.005449 0.000465 -0.012157 0.003771 0.000834 1Rh 1f-1 0.004929 0.002070 0.005136 0.001712 0.000905 0.012180 1Rh 1f+2 -0.002120 0.004597 -0.003149 0.006564 0.000244 -0.009234 1Rh 1f-2 0.001590 -0.003337 0.001512 0.001503 -0.002889 0.001797 1Rh 1f+3 -0.000275 0.002030 0.000424 0.002339 0.008048 0.005186 1Rh 1f-3 -0.000613 -0.007557 -0.000574 -0.007365 -0.007113 -0.000616 2C 1s 0.000236 -0.000187 0.000219 -0.001613 0.000311 -0.000444 2C 2s -0.000074 -0.000376 0.000052 -0.003254 0.000666 -0.000430 2C 3s 0.034650 0.011266 0.025563 0.043215 -0.022016 -0.025655 2C 4s -0.151632 0.005317 -0.115211 0.058758 0.094396 0.138987 2C 5s -0.027458 -0.092671 0.001832 0.055122 -0.040064 -0.026199 2C 1pz 0.004295 0.009869 0.000702 0.015423 -0.005529 -0.010474 2C 1px -0.003930 0.002956 0.009684 0.003110 0.003808 0.020492 2C 1py 0.005551 -0.005215 0.004678 0.012102 -0.001228 0.000486 2C 2pz -0.035118 -0.009747 0.043287 0.123810 0.153667 0.088054 2C 2px 0.043545 -0.015000 -0.086245 -0.020995 -0.020064 -0.199583 2C 2py -0.063459 0.099831 -0.140886 0.093068 -0.075460 0.012070 2C 3pz -0.023338 -0.011333 -0.000481 -0.015410 -0.001437 0.023282 2C 3px -0.018816 0.001848 -0.022882 0.023795 0.006739 -0.077834 2C 3py 0.003814 -0.038763 -0.005365 0.001696 -0.000282 -0.005380 2C 1dz2 0.003469 -0.002627 -0.028635 0.017032 -0.021485 -0.013642 2C 1dxz -0.003764 -0.002875 -0.001455 0.008418 -0.006295 0.032848 2C 1dyz 0.000124 0.008910 0.007401 0.012762 0.013937 -0.010626 2C 1dx2y2 0.004076 -0.006760 -0.016225 0.000673 -0.017437 0.002523 2C 1dxy -0.002361 0.001355 0.016564 0.000890 0.010561 0.020855 2C 2dz2 -0.019408 -0.024640 -0.013961 0.028921 -0.004244 0.080873 2C 2dxz 0.013448 0.009378 -0.086315 0.076373 -0.078853 -0.066839 2C 2dyz -0.017456 0.028795 -0.023710 -0.000545 0.022606 -0.009651 2C 2dx2y2 0.002883 -0.016018 -0.075188 -0.022909 -0.082364 -0.050737 2C 2dxy 0.033804 -0.019212 0.055930 0.004463 0.100608 -0.094752 2C 1f0 -0.005165 -0.029848 -0.056912 0.002758 -0.057156 0.024833 2C 1f+1 0.009821 -0.011539 -0.006487 -0.009427 -0.006582 -0.005458 2C 1f-1 -0.004386 -0.000279 -0.002842 -0.002458 0.002610 0.009680 2C 1f+2 0.018686 -0.009540 -0.020377 0.034813 -0.033641 -0.005656 2C 1f-2 -0.005016 -0.011959 -0.022687 -0.000540 -0.011603 -0.002988 2C 1f+3 0.005017 0.002144 -0.011687 0.018031 -0.005680 -0.015800 2C 1f-3 -0.002065 0.005474 0.016052 -0.020490 0.021571 -0.002556 3C 1s -0.000449 0.000976 0.000257 0.000613 0.001311 -0.000493 3C 2s -0.000696 0.001546 0.000240 0.000832 0.002637 -0.000510 3C 3s 0.009529 0.018911 0.020981 0.012293 -0.041573 -0.022707 3C 4s -0.005893 -0.220757 -0.108037 -0.065903 -0.020788 0.141513 3C 5s 0.002189 -0.012031 -0.033529 -0.031711 0.009724 0.065409 3C 1pz 0.005135 0.001925 -0.001819 -0.005650 -0.008010 -0.001880 3C 1px 0.012137 0.004815 0.007687 -0.003569 -0.010697 0.008990 3C 1py 0.001823 0.006218 -0.003852 -0.008090 0.012795 0.006338 3C 2pz -0.072367 -0.179401 -0.039760 0.021618 -0.083531 0.055205 3C 2px -0.196373 -0.167631 -0.110459 0.036887 0.048596 -0.088527 3C 2py -0.086063 0.058419 0.000669 -0.000308 0.091287 -0.097215 3C 3pz 0.016937 0.008865 -0.012692 -0.029843 0.009840 0.023041 3C 3px 0.035680 0.018548 -0.010733 0.001860 0.000908 -0.024081 3C 3py 0.023548 0.019488 0.005184 -0.006361 -0.021363 -0.022925 3C 1dz2 -0.002061 0.007870 0.010612 0.015655 0.006868 -0.010168 3C 1dxz 0.009168 0.004043 0.015568 0.008351 -0.005472 0.005529 3C 1dyz 0.001441 0.004012 -0.009025 -0.019508 0.004700 0.009158 3C 1dx2y2 0.009476 0.019396 0.020222 0.010160 0.006521 0.000273 3C 1dxy -0.006784 0.005354 -0.002548 0.004650 0.013149 -0.015880 3C 2dz2 -0.037319 -0.032185 0.006840 0.021010 0.011022 -0.008386 3C 2dxz 0.108201 0.066915 0.040189 0.027927 -0.040774 0.026237 3C 2dyz 0.007275 0.007770 -0.029574 -0.052898 -0.023884 -0.005467 3C 2dx2y2 0.028531 0.078596 0.037760 0.056359 0.047732 -0.057250 3C 2dxy 0.060584 0.083142 0.066649 0.001439 0.008641 0.034736 3C 1f0 0.019664 0.018502 0.017172 0.011699 0.015723 -0.006655 3C 1f+1 -0.013538 0.011033 0.014320 0.020244 0.015714 -0.007540 3C 1f-1 -0.010248 -0.020977 -0.050558 -0.064369 -0.008152 0.020141 3C 1f+2 -0.008158 0.005810 0.003457 0.010880 -0.014365 -0.009926 3C 1f-2 0.008351 -0.008263 -0.005855 -0.011139 -0.017523 0.002213 3C 1f+3 0.024022 0.008951 -0.003034 -0.004865 0.008965 0.003242 3C 1f-3 0.011969 0.010541 0.015234 0.021527 -0.012560 -0.007509 4C 1s 0.000006 -0.000508 -0.000272 -0.001966 0.000076 -0.000465 4C 2s 0.000384 -0.001256 -0.000219 -0.004638 -0.000221 -0.000808 4C 3s -0.041554 0.008725 -0.034336 0.040672 0.052657 -0.000690 4C 4s 0.199970 -0.000218 0.172457 0.004454 -0.252521 0.014630 4C 5s 0.042906 0.011468 0.034780 -0.156399 -0.019725 -0.008641 4C 1pz 0.004571 -0.014782 -0.004699 -0.013474 -0.008840 0.002219 4C 1px -0.001773 -0.003396 -0.007514 -0.004952 -0.004605 -0.007368 4C 1py -0.005319 0.010203 0.012122 -0.016976 0.012548 -0.005993 4C 2pz -0.100029 0.077675 0.009298 0.125792 0.072292 0.157512 4C 2px 0.203550 0.007004 -0.039904 0.073670 -0.072810 -0.256780 4C 2py 0.034956 -0.013795 -0.057650 0.129501 -0.043651 0.008001 4C 3pz -0.050658 -0.064084 -0.018268 -0.047820 -0.013096 -0.059621 4C 3px 0.041892 -0.024916 0.043619 -0.040532 -0.003400 0.098427 4C 3py -0.025443 -0.053853 0.006443 -0.040963 -0.021213 -0.005999 4C 1dz2 0.004729 -0.003710 -0.025342 0.021981 -0.022493 0.004507 4C 1dxz 0.000187 -0.009830 -0.008353 0.014575 -0.005485 0.011248 4C 1dyz -0.001734 0.007645 0.016928 0.022422 0.016352 -0.001545 4C 1dx2y2 0.005617 -0.017246 -0.020144 -0.004880 -0.021799 0.006998 4C 1dxy 0.005019 0.014536 0.009862 0.003820 -0.006129 0.004586 4C 2dz2 -0.046088 -0.059589 0.027950 -0.097798 -0.011157 0.134133 4C 2dxz 0.108554 -0.035810 -0.085018 -0.018260 -0.049645 -0.291061 4C 2dyz 0.011954 -0.004261 0.041422 -0.125240 -0.004467 -0.009423 4C 2dx2y2 0.024625 -0.009177 0.002080 0.092410 -0.029317 0.012956 4C 2dxy 0.092377 -0.010150 -0.062020 0.024452 -0.087938 -0.185090 4C 1f0 -0.002597 0.013194 0.033555 -0.020719 0.047218 -0.008645 4C 1f+1 -0.013189 0.010212 -0.003689 -0.026803 0.003267 -0.003416 4C 1f-1 -0.015210 0.016016 0.004588 0.015539 0.007887 0.011889 4C 1f+2 -0.030834 0.035845 0.043051 -0.004599 0.023158 0.017591 4C 1f-2 0.003878 0.006938 0.006269 0.008005 0.021032 -0.034367 4C 1f+3 -0.028111 -0.023053 -0.016772 0.011679 -0.005626 0.025988 4C 1f-3 -0.031384 -0.008628 0.004202 -0.024045 0.021810 0.026884 5C 1s -0.000461 0.000571 -0.000034 0.000105 0.001860 -0.000316 5C 2s -0.000656 0.001891 0.000058 -0.000101 0.004142 -0.000861 5C 3s -0.050863 -0.077297 -0.015571 0.034930 -0.014041 0.022192 5C 4s 0.285323 0.284122 0.079656 -0.160291 -0.097284 -0.086018 5C 5s 0.092446 0.095456 0.030860 -0.042860 0.078699 -0.021317 5C 1pz -0.005020 0.009524 0.015723 0.022225 0.010170 -0.008368 5C 1px -0.007481 0.000749 -0.001124 0.004852 0.007353 -0.006976 5C 1py -0.002730 -0.012539 0.005368 0.012840 -0.012511 -0.002048 5C 2pz 0.068193 -0.077579 -0.020244 -0.073020 -0.110049 0.086989 5C 2px -0.050344 -0.063043 -0.158748 -0.084506 0.009873 -0.036680 5C 2py -0.057352 0.127537 0.001825 -0.009673 0.132124 -0.072538 5C 3pz 0.028790 0.015430 -0.013880 -0.024198 0.050381 0.024274 5C 3px -0.005305 -0.017197 0.000044 -0.025901 0.009469 0.069907 5C 3py -0.058097 -0.031583 0.020379 0.019227 -0.077777 -0.047489 5C 1dz2 -0.014139 0.008694 0.021165 0.028495 0.001678 -0.013626 5C 1dxz 0.006989 -0.009491 0.014851 0.015773 0.002128 0.001819 5C 1dyz 0.001129 0.003593 -0.014982 -0.018685 0.018010 0.009472 5C 1dx2y2 0.010090 0.023248 0.018519 0.009193 0.014587 -0.003181 5C 1dxy 0.004856 0.000831 0.002901 0.005432 0.018930 -0.001440 5C 2dz2 -0.003778 -0.000665 0.060157 0.076522 0.009639 0.027385 5C 2dxz -0.087378 -0.000909 -0.043474 0.040410 0.083552 -0.094323 5C 2dyz -0.042110 -0.096129 -0.069396 -0.009436 -0.051652 -0.009255 5C 2dx2y2 -0.003340 -0.077147 -0.055060 0.016385 -0.071056 -0.034717 5C 2dxy 0.051978 -0.051668 0.069401 -0.003572 -0.098991 0.093157 5C 1f0 -0.011952 0.003320 -0.008008 0.006271 0.032117 -0.012816 5C 1f+1 -0.001945 0.017040 0.012508 0.003439 0.006328 0.011880 5C 1f-1 -0.015290 0.019062 0.044398 0.062492 0.008528 -0.027885 5C 1f+2 0.008924 0.013713 -0.002450 -0.019012 0.003633 0.002482 5C 1f-2 0.019128 0.005124 0.035412 0.020463 -0.006768 -0.002366 5C 1f+3 0.004276 -0.018770 0.019318 0.025508 0.023239 -0.005173 5C 1f-3 0.017705 0.001051 -0.002667 -0.009885 -0.019580 -0.001467 6C 1s -0.000484 -0.000561 -0.000067 -0.000098 -0.001852 -0.000335 6C 2s -0.000718 -0.001874 -0.000027 0.000112 -0.004119 -0.000901 6C 3s -0.049291 0.077324 -0.013671 -0.034982 0.012902 0.022114 6C 4s 0.280068 -0.284902 0.073755 0.159783 0.102010 -0.084152 6C 5s 0.093082 -0.095291 0.028723 0.042304 -0.077954 -0.021259 6C 1pz 0.005460 0.009433 -0.015286 0.022250 0.010302 0.008557 6C 1px 0.007702 0.000753 0.001320 0.004771 0.007223 0.006945 6C 1py 0.002565 -0.012469 -0.005642 0.012908 -0.012269 0.001937 6C 2pz -0.072848 -0.076334 0.015616 -0.071633 -0.107639 -0.088863 6C 2px 0.049815 -0.063094 0.158295 -0.086203 0.005911 0.038712 6C 2py 0.063086 0.125969 0.003805 -0.011472 0.128694 0.074031 6C 3pz -0.027983 0.015017 0.013994 -0.022985 0.050128 -0.023766 6C 3px 0.005017 -0.016986 -0.000732 -0.024842 0.010631 -0.070122 6C 3py 0.057279 -0.030628 -0.021202 0.017188 -0.077649 0.046633 6C 1dz2 -0.014255 -0.008783 0.020978 -0.028510 -0.001824 -0.013654 6C 1dxz 0.007305 0.009404 0.014874 -0.015913 -0.002330 0.001725 6C 1dyz 0.000904 -0.003388 -0.015113 0.018700 -0.017974 0.009238 6C 1dx2y2 0.009972 -0.023444 0.018055 -0.009343 -0.014853 -0.003445 6C 1dxy 0.005038 -0.000982 0.002656 -0.005470 -0.018954 -0.001417 6C 2dz2 -0.003422 0.000574 0.060392 -0.077191 -0.011893 0.026942 6C 2dxz -0.090436 0.002014 -0.045972 -0.038872 -0.080937 -0.095160 6C 2dyz -0.039815 0.095871 -0.067094 0.010080 0.052684 -0.008920 6C 2dx2y2 -0.002153 0.076970 -0.053274 -0.016155 0.072610 -0.034138 6C 2dxy 0.053886 0.051131 0.072438 0.001725 0.094502 0.094491 6C 1f0 0.012299 0.003351 0.008634 0.005999 0.031626 0.013156 6C 1f+1 0.001975 0.017053 -0.012509 0.003618 0.006813 -0.011823 6C 1f-1 0.015795 0.019163 -0.043745 0.062560 0.008834 0.028199 6C 1f+2 -0.008762 0.013477 0.002568 -0.018962 0.003467 -0.002525 6C 1f-2 -0.019052 0.005189 -0.035249 0.020857 -0.006138 0.002179 6C 1f+3 -0.004581 -0.018890 -0.019235 0.025751 0.023813 0.005269 6C 1f-3 -0.017913 0.001047 0.002596 -0.009884 -0.019989 0.001166 7C 1s 0.000029 0.000504 -0.000261 0.001969 -0.000084 -0.000479 7C 2s 0.000429 0.001256 -0.000193 0.004627 0.000211 -0.000819 7C 3s -0.040761 -0.009448 -0.034431 -0.038758 -0.053220 -0.002683 7C 4s 0.194009 0.003559 0.171587 -0.013731 0.255439 0.024471 7C 5s 0.044505 -0.009271 0.035047 0.153375 0.022227 -0.007317 7C 1pz -0.004786 -0.014814 0.004584 -0.013340 -0.008945 -0.002326 7C 1px 0.001699 -0.003516 0.007257 -0.004980 -0.004485 0.007340 7C 1py 0.005525 0.010318 -0.011858 -0.016944 0.012594 0.006062 7C 2pz 0.101140 0.078308 -0.011830 0.122968 0.076283 -0.154789 7C 2px -0.205613 0.007186 0.039934 0.074159 -0.077609 0.253926 7C 2py -0.035624 -0.013825 0.055039 0.128112 -0.043094 -0.008436 7C 3pz 0.052289 -0.062004 0.015504 -0.050313 -0.010690 0.059080 7C 3px -0.042038 -0.024778 -0.044433 -0.040369 -0.002211 -0.097973 7C 3py 0.026410 -0.052616 -0.008664 -0.042345 -0.019130 0.005937 7C 1dz2 0.004726 0.003941 -0.025280 -0.021661 0.022779 0.004734 7C 1dxz 0.000092 0.009734 -0.008524 -0.014466 0.005734 0.011398 7C 1dyz -0.002016 -0.007606 0.016235 -0.022744 -0.016247 -0.001506 7C 1dx2y2 0.005410 0.017364 -0.019783 0.005031 0.022150 0.007472 7C 1dxy 0.005358 -0.014375 0.009671 -0.004015 0.006362 0.004559 7C 2dz2 -0.045766 0.059740 0.028094 0.096922 0.009721 0.133210 7C 2dxz 0.110508 0.036573 -0.085056 0.017914 0.053160 -0.289356 7C 2dyz 0.012037 0.004686 0.040944 0.123760 0.004993 -0.008427 7C 2dx2y2 0.024610 0.009690 0.003256 -0.092658 0.028844 0.014134 7C 2dxy 0.091467 0.010745 -0.061576 -0.025092 0.090781 -0.182317 7C 1f0 0.002704 0.013605 -0.032911 -0.020593 0.047442 0.009138 7C 1f+1 0.012802 0.010347 0.003532 -0.027175 0.003392 0.003586 7C 1f-1 0.015401 0.016368 -0.004835 0.015157 0.008557 -0.011414 7C 1f+2 0.031481 0.035808 -0.042358 -0.004286 0.023653 -0.017439 7C 1f-2 -0.003734 0.007121 -0.005940 0.007906 0.020915 0.034539 7C 1f+3 0.028266 -0.023105 0.016476 0.011291 -0.005458 -0.025938 7C 1f-3 0.031151 -0.008642 -0.004196 -0.024312 0.022482 -0.026330 8C 1s -0.000473 -0.000969 0.000214 -0.000594 -0.001298 -0.000507 8C 2s -0.000721 -0.001535 0.000178 -0.000807 -0.002626 -0.000538 8C 3s 0.008132 -0.018757 0.019935 -0.011832 0.042324 -0.022254 8C 4s 0.003455 0.219195 -0.098598 0.062857 0.016190 0.141548 8C 5s 0.000186 0.012749 -0.033350 0.029760 -0.009114 0.064820 8C 1pz -0.005376 0.002064 0.001757 -0.005712 -0.008268 0.001733 8C 1px -0.012153 0.004837 -0.007800 -0.003427 -0.010419 -0.009018 8C 1py -0.002144 0.006312 0.003772 -0.008015 0.012823 -0.006189 8C 2pz 0.075035 -0.182138 0.037330 0.021811 -0.079578 -0.055261 8C 2px 0.195577 -0.167100 0.109803 0.034880 0.046583 0.087604 8C 2py 0.094653 0.055769 0.004984 -0.001815 0.089252 0.097679 8C 3pz -0.018035 0.009182 0.012441 -0.029375 0.009663 -0.022884 8C 3px -0.035285 0.017753 0.010804 0.002111 0.000085 0.024248 8C 3py -0.024133 0.019615 -0.004920 -0.006874 -0.021847 0.022698 8C 1dz2 -0.001959 -0.008031 0.010480 -0.015648 -0.006735 -0.010191 8C 1dxz 0.009384 -0.004310 0.015800 -0.008653 0.005024 0.005416 8C 1dyz 0.001076 -0.003847 -0.009063 0.019479 -0.004720 0.009094 8C 1dx2y2 0.009469 -0.019569 0.019968 -0.010369 -0.006728 0.000116 8C 1dxy -0.006832 -0.005369 -0.002806 -0.004562 -0.012677 -0.015948 8C 2dz2 -0.038054 0.032402 0.006595 -0.020804 -0.011304 -0.007893 8C 2dxz 0.110793 -0.068379 0.041754 -0.029580 0.040113 0.025585 8C 2dyz 0.005275 -0.007103 -0.029884 0.053095 0.024903 -0.004979 8C 2dx2y2 0.028068 -0.078392 0.035562 -0.056121 -0.046000 -0.057957 8C 2dxy 0.061287 -0.084491 0.066361 -0.002711 -0.010259 0.033971 8C 1f0 -0.019923 0.018720 -0.016884 0.011909 0.015791 0.006835 8C 1f+1 0.013685 0.011029 -0.013981 0.020318 0.015544 0.007731 8C 1f-1 0.010585 -0.021576 0.050105 -0.064616 -0.008607 -0.020371 8C 1f+2 0.008716 0.005548 -0.002917 0.010354 -0.014690 0.009771 8C 1f-2 -0.008219 -0.008259 0.005719 -0.011046 -0.017814 -0.002303 8C 1f+3 -0.024477 0.009046 0.002851 -0.004529 0.008909 -0.002969 8C 1f-3 -0.012012 0.010700 -0.015392 0.021874 -0.012625 0.007604 9C 1s 0.000258 0.000198 0.000206 0.001603 -0.000294 -0.000453 9C 2s -0.000031 0.000388 0.000055 0.003254 -0.000651 -0.000459 9C 3s 0.033880 -0.010463 0.023539 -0.044807 0.023726 -0.024339 9C 4s -0.150131 -0.008791 -0.107303 -0.051187 -0.101785 0.133699 9C 5s -0.030058 0.088848 0.004532 -0.051983 0.035344 -0.025050 9C 1pz -0.003870 0.009719 -0.000233 0.015575 -0.005975 0.010126 9C 1px 0.004106 0.003124 -0.009411 0.003182 0.003751 -0.020466 9C 1py -0.005705 -0.005384 -0.004515 0.012481 -0.001344 -0.000546 9C 2pz 0.030675 -0.009463 -0.044512 0.122906 0.156954 -0.082775 9C 2px -0.046385 -0.017624 0.081768 -0.022095 -0.017068 0.200018 9C 2py 0.068168 0.101040 0.140217 0.087237 -0.077080 -0.013654 9C 3pz 0.023900 -0.010146 -0.000827 -0.016692 0.000195 -0.023200 9C 3px 0.019764 0.002619 0.023909 0.023295 0.005525 0.077819 9C 3py -0.003977 -0.038486 0.004555 0.001496 0.000885 0.005821 9C 1dz2 0.003261 0.002900 -0.028476 -0.016480 0.022045 -0.013246 9C 1dxz -0.003975 0.002703 -0.001468 -0.008215 0.006409 0.032974 9C 1dyz 0.000225 -0.008769 0.006749 -0.012996 -0.013573 -0.010784 9C 1dx2y2 0.003884 0.006847 -0.016334 -0.000442 0.018011 0.002912 9C 1dxy -0.002135 -0.001457 0.016228 -0.001168 -0.010622 0.020466 9C 2dz2 -0.018621 0.024912 -0.012587 -0.027078 0.002974 0.079705 9C 2dxz 0.010899 -0.009557 -0.085893 -0.074874 0.081425 -0.063687 9C 2dyz -0.017282 -0.028921 -0.024114 0.000906 -0.021878 -0.009948 9C 2dx2y2 0.001442 0.016416 -0.076085 0.023621 0.085801 -0.048190 9C 2dxy 0.037048 0.019689 0.053354 -0.005968 -0.099807 -0.098763 9C 1f0 0.005561 -0.030067 0.055899 0.001755 -0.057625 -0.025652 9C 1f+1 -0.010344 -0.011552 0.006312 -0.009581 -0.006913 0.005450 9C 1f-1 0.003961 -0.000396 0.002650 -0.002569 0.002780 -0.009208 9C 1f+2 -0.018782 -0.009666 0.020348 0.034994 -0.034394 0.005469 9C 1f-2 0.005135 -0.011524 0.022076 -0.000850 -0.011877 0.002780 9C 1f+3 -0.004406 0.001914 0.012535 0.017988 -0.006965 0.015122 9C 1f-3 0.001539 0.005659 -0.015758 -0.019698 0.021700 0.003198 10H 1s 0.008521 0.004934 0.008888 0.031522 0.002179 0.001478 10H 2s 0.005937 0.020968 0.061813 0.085410 0.037831 0.068674 10H 3s 0.003277 0.001266 -0.009872 -0.045288 -0.008695 0.014548 10H 1pz -0.000317 0.000034 0.025784 0.010978 0.018210 0.030044 10H 1px -0.004824 -0.009873 -0.012055 -0.034093 -0.005701 -0.006184 10H 1py -0.005055 0.003113 -0.001914 0.004234 -0.009443 0.020639 11H 1s 0.009084 0.004104 0.030593 -0.008540 0.031680 -0.013491 11H 2s 0.049889 -0.024079 0.111956 -0.031408 0.148649 -0.086594 11H 3s -0.028362 0.035083 -0.029418 -0.002902 -0.019794 0.003222 11H 1pz 0.016124 -0.004907 0.033612 0.001402 0.041112 -0.030884 11H 1px 0.009362 0.000177 0.021192 -0.009256 0.026494 -0.021804 11H 1py -0.007638 -0.001477 -0.021877 0.001731 -0.022796 0.002628 12H 1s 0.000472 -0.001285 -0.033481 0.013007 -0.034058 -0.002851 12H 2s -0.005187 0.056057 -0.143886 0.022071 -0.160873 -0.054390 12H 3s 0.010017 -0.029332 0.027911 -0.004392 0.047666 -0.002797 12H 1pz 0.006632 0.001727 0.000525 -0.004664 -0.002980 -0.011291 12H 1px 0.002367 0.004328 -0.021297 -0.001916 -0.019800 -0.014349 12H 1py 0.004217 0.017080 -0.049182 0.018679 -0.054368 -0.023394 13H 1s 0.020022 -0.001274 0.000767 -0.003974 -0.028433 0.008848 13H 2s 0.101065 0.037461 0.041093 0.002398 -0.097330 0.057740 13H 3s -0.037483 -0.016519 -0.009277 -0.004605 0.034009 -0.003479 13H 1pz 0.010155 -0.003505 0.005650 -0.001947 -0.025908 0.013810 13H 1px -0.025018 -0.005514 -0.008761 -0.005883 0.025209 -0.006631 13H 1py -0.025871 -0.019539 -0.015228 0.001209 0.012476 -0.017470 14H 1s -0.039420 -0.028887 -0.020807 -0.009954 -0.006932 -0.003633 14H 2s -0.192642 -0.164884 -0.083290 0.013379 0.013801 -0.065372 14H 3s 0.079478 0.060251 0.015702 -0.010151 -0.006759 0.003756 14H 1pz -0.029595 -0.032071 -0.018519 0.000850 -0.006155 -0.011455 14H 1px -0.059084 -0.045555 -0.026354 0.004886 0.003091 -0.020443 14H 1py -0.003924 0.000379 0.004727 -0.001508 -0.010795 0.009040 15H 1s 0.012815 0.020896 0.022757 0.024177 0.008285 -0.009740 15H 2s 0.077774 0.116629 0.079680 0.080024 0.016419 -0.026413 15H 3s -0.035235 -0.037693 -0.004948 0.017455 0.007642 -0.005167 15H 1pz -0.014237 -0.017666 -0.017859 -0.020021 -0.005691 0.006872 15H 1px -0.013014 -0.001036 0.002756 0.008173 0.006878 -0.008502 15H 1py -0.024855 -0.037050 -0.028640 -0.028347 0.002968 0.010060 16H 1s 0.000781 -0.001084 -0.001550 -0.005647 0.003237 0.000271 16H 2s 0.017778 0.000262 -0.002859 -0.003683 -0.005594 0.002350 16H 3s 0.020872 -0.007081 -0.001586 -0.024214 0.001958 -0.010432 16H 1pz 0.007134 -0.002635 -0.001532 -0.006273 -0.002422 0.001663 16H 1px -0.019688 0.001026 -0.002558 0.013873 -0.001629 0.002967 16H 1py -0.001652 0.003800 -0.002904 -0.003026 0.008650 -0.001746 17H 1s -0.003895 -0.005245 0.001664 0.007712 -0.004244 0.000265 17H 2s 0.001853 -0.000602 0.010922 0.003757 -0.018737 0.009269 17H 3s 0.003551 -0.013202 0.008958 0.006694 -0.018429 0.002845 17H 1pz 0.007530 0.002759 0.000301 -0.006404 0.006961 -0.005781 17H 1px -0.008353 0.006524 -0.008762 -0.002736 0.014383 -0.000051 17H 1py -0.006105 0.000713 0.000810 0.006472 0.001450 0.000827 18H 1s -0.004138 0.005268 0.001629 -0.007832 0.004030 0.000258 18H 2s 0.001508 0.001003 0.011247 -0.004210 0.018543 0.010147 18H 3s 0.003356 0.013280 0.009217 -0.007315 0.018030 0.003173 18H 1pz -0.007721 0.002889 -0.000220 -0.006496 0.006912 0.006088 18H 1px 0.008075 0.006614 0.008978 -0.003279 0.014196 0.000304 18H 1py 0.006265 0.000868 -0.000628 0.006422 0.001918 -0.000712 19H 1s 0.001006 0.001047 -0.001514 0.005801 -0.002955 0.000290 19H 2s 0.018205 0.000101 -0.002291 0.003539 0.005655 0.002667 19H 3s 0.021313 0.007182 -0.001270 0.024020 -0.001284 -0.010385 19H 1pz -0.007471 -0.002915 0.001209 -0.006178 -0.002889 -0.001860 19H 1px 0.019873 0.001065 0.002752 0.013646 -0.001529 -0.003079 19H 1py 0.001599 0.003805 0.003030 -0.003136 0.008503 0.001740 20H 1s 0.013624 -0.021384 0.022496 -0.024294 -0.008128 -0.009898 20H 2s 0.081826 -0.119307 0.078841 -0.080085 -0.015173 -0.026771 20H 3s -0.036637 0.038526 -0.005015 -0.017246 -0.008410 -0.005208 20H 1pz 0.015249 -0.018196 0.017730 -0.020062 -0.005484 -0.006928 20H 1px 0.012773 -0.000578 -0.002744 0.008242 0.006766 0.008574 20H 1py 0.025858 -0.037772 0.028256 -0.028299 0.003375 -0.010117 21H 1s -0.040167 0.029203 -0.020949 0.010503 0.007014 -0.003371 21H 2s -0.196842 0.166995 -0.084722 -0.010619 -0.013011 -0.064130 21H 3s 0.080947 -0.060526 0.015999 0.009621 0.006889 0.003541 21H 1pz 0.030963 -0.032941 0.018924 0.000340 -0.006385 0.011265 21H 1px 0.059944 -0.045886 0.026747 0.003934 0.002753 0.019997 21H 1py 0.004160 0.000304 -0.004808 -0.001457 -0.010370 -0.008974 22H 1s 0.019800 0.001371 0.001127 0.003761 0.028373 0.008915 22H 2s 0.100261 -0.036574 0.041763 -0.003134 0.095513 0.057466 22H 3s -0.036685 0.015890 -0.009325 0.004799 -0.033812 -0.003388 22H 1pz -0.009347 -0.003931 -0.005714 -0.001911 -0.025173 -0.013727 22H 1px 0.024979 -0.005370 0.008929 -0.005990 0.025198 0.006671 22H 1py 0.026083 -0.019568 0.015389 0.000887 0.012105 0.017363 23H 1s -0.000297 0.001525 -0.033411 -0.012154 0.034741 -0.001930 23H 2s -0.009699 -0.055079 -0.143774 -0.019049 0.164867 -0.049678 23H 3s 0.011624 0.029776 0.027416 0.003307 -0.047878 -0.004126 23H 1pz -0.006705 0.001694 -0.000886 -0.004337 -0.002673 0.011083 23H 1px -0.002057 0.003829 0.020527 -0.002490 -0.019506 0.013546 23H 1py -0.002721 0.016742 0.049688 0.017736 -0.056305 0.021796 24H 1s 0.010189 -0.003980 0.030280 0.007615 -0.032188 -0.014257 24H 2s 0.055643 0.026411 0.110361 0.027477 -0.150339 -0.091119 24H 3s -0.030100 -0.035651 -0.029950 0.003877 0.021312 0.003700 24H 1pz -0.017380 -0.005503 -0.032628 0.002559 0.041090 0.031980 24H 1px -0.010744 -0.000403 -0.021373 -0.008496 0.027441 0.022977 24H 1py 0.008301 -0.001359 0.021259 0.000857 -0.022533 -0.002785 25H 1s 0.008211 -0.005075 0.008248 -0.031791 -0.001747 0.001512 25H 2s 0.005220 -0.021490 0.058447 -0.086416 -0.035057 0.068559 25H 3s 0.004040 -0.000588 -0.008367 0.045291 0.007616 0.014444 25H 1pz 0.000034 0.000295 -0.025228 0.011622 0.018010 -0.029770 25H 1px 0.004399 -0.009882 0.010757 -0.034337 -0.004582 0.006237 25H 1py 0.005664 0.003176 0.002120 0.003591 -0.009815 -0.020983 26O 1s -0.000783 0.000274 0.000382 0.001609 0.000098 0.001616 26O 2s -0.003565 0.000880 0.001424 0.004983 0.000849 0.006334 26O 3s 0.056824 -0.005389 -0.016760 -0.031423 -0.021474 -0.086427 26O 4s -0.214128 -0.005731 0.070896 -0.010060 0.094253 0.327076 26O 5s -0.023317 0.019908 -0.061618 -0.164870 0.108076 -0.052327 26O 1pz 0.002504 -0.005805 -0.005783 -0.003764 -0.000681 -0.018246 26O 1px 0.005675 -0.002928 0.003138 0.000863 0.005023 0.008136 26O 1py -0.001408 0.005410 -0.005083 -0.005363 0.004901 -0.010505 26O 2pz 0.001078 0.015456 0.018749 0.025885 -0.003161 0.067002 26O 2px 0.073133 0.012816 -0.027599 0.053416 -0.068395 -0.128651 26O 2py 0.041687 -0.002798 0.022797 0.042774 -0.024945 -0.008388 26O 3pz 0.039554 -0.020151 0.009223 -0.027764 -0.007036 -0.011622 26O 3px 0.094557 -0.024247 0.019111 0.019575 -0.058792 -0.041245 26O 3py 0.030928 0.040663 -0.010522 -0.032702 0.007612 -0.022044 26O 1dz2 0.005722 -0.018530 0.003064 -0.003605 0.015832 -0.012572 26O 1dxz -0.002860 -0.011635 -0.004562 0.001767 0.002393 0.003043 26O 1dyz -0.000002 0.005916 -0.013091 -0.002716 -0.011672 -0.011433 26O 1dx2y2 0.002214 -0.014780 -0.008072 0.014863 0.004188 -0.009501 26O 1dxy -0.000637 0.007726 0.010309 0.005106 0.007312 -0.012556 26O 2dz2 0.012061 0.005264 0.002019 0.012441 -0.008973 -0.016858 26O 2dxz -0.014095 0.004747 -0.003423 -0.002534 0.004996 -0.018660 26O 2dyz -0.011541 0.004580 -0.003600 0.008135 -0.000232 -0.004741 26O 2dx2y2 -0.016967 0.003283 0.013035 -0.011531 0.025343 0.025020 26O 2dxy -0.027808 -0.005771 -0.011844 -0.006111 0.005051 0.015615 26O 1f0 0.139627 -0.316947 -0.133470 0.100903 -0.072883 0.039120 26O 1f+1 -0.058076 0.077542 0.012935 0.034395 -0.100209 0.177718 26O 1f-1 0.102715 -0.014617 -0.110395 -0.158853 -0.032075 -0.313456 26O 1f+2 0.087090 -0.127422 -0.091628 0.068059 -0.066862 -0.066737 26O 1f-2 0.079274 -0.188115 -0.012205 0.051707 0.055207 0.013803 26O 1f+3 0.046489 -0.062181 -0.079757 -0.011920 -0.032934 -0.111276 26O 1f-3 0.000034 -0.028610 0.063306 0.026215 0.103550 -0.003830 27O 1s 0.000109 -0.001000 0.000672 0.000483 -0.001135 0.000465 27O 2s 0.000425 -0.003406 0.002674 0.001857 -0.003751 0.001849 27O 3s -0.004051 0.032728 -0.037414 -0.025119 0.027292 -0.025689 27O 4s 0.034237 -0.051741 0.145092 0.072358 -0.023083 0.102272 27O 5s -0.156007 0.071486 -0.016393 0.063557 0.093904 -0.047280 27O 1pz -0.011096 -0.003073 0.001412 0.011064 0.004459 -0.002893 27O 1px -0.007661 -0.001727 0.002864 0.007168 -0.004073 0.002529 27O 1py -0.004333 -0.003917 0.005451 0.003968 -0.002257 0.007216 27O 2pz 0.037135 0.007607 0.010615 -0.021144 -0.016567 0.018684 27O 2px 0.024148 0.004811 -0.059962 -0.050026 -0.016915 -0.038320 27O 2py 0.007276 0.015880 0.002110 0.008244 0.025692 -0.024432 27O 3pz -0.062413 0.002300 0.007816 0.053047 0.017810 0.009264 27O 3px 0.033113 0.010610 -0.029108 -0.044507 0.000740 -0.004533 27O 3py -0.014702 -0.024152 0.020411 0.047634 0.003395 0.027524 27O 1dz2 -0.009278 -0.018160 -0.008129 -0.003551 0.015036 -0.002987 27O 1dxz 0.002520 -0.006578 0.008546 0.012872 0.010552 -0.012085 27O 1dyz 0.012439 0.011769 0.006236 -0.007834 -0.012276 0.013845 27O 1dx2y2 0.002999 -0.014760 0.001355 0.004342 -0.003340 -0.006333 27O 1dxy 0.002448 -0.000757 0.007861 0.009244 0.000718 -0.003070 27O 2dz2 0.007329 0.004336 -0.009676 -0.011163 -0.001096 -0.002131 27O 2dxz -0.002620 -0.004554 -0.011699 -0.010387 -0.000504 -0.007863 27O 2dyz -0.000918 0.005989 0.002995 0.003999 0.007296 -0.000448 27O 2dx2y2 -0.007372 -0.007119 0.010505 0.009662 0.006147 0.009418 27O 2dxy -0.002091 -0.000491 -0.012494 -0.016871 -0.006842 0.007832 27O 1f0 -0.015193 -0.113951 0.168290 0.099484 -0.106146 0.050305 27O 1f+1 0.139312 0.156017 0.034119 -0.026930 -0.091059 0.069359 27O 1f-1 0.429693 0.203632 -0.177136 -0.415311 -0.174757 0.260865 27O 1f+2 -0.014303 -0.101554 0.055209 -0.005119 -0.099482 0.050244 27O 1f-2 0.017697 -0.010566 -0.067304 -0.039402 0.020075 -0.024232 27O 1f+3 -0.086828 -0.089237 0.006269 0.057365 0.070319 -0.063366 27O 1f-3 -0.075223 0.003840 0.080814 0.146976 0.016440 -0.068284 28O 1s 0.000533 0.000187 -0.000629 0.001892 -0.000011 -0.002146 28O 2s 0.002445 0.000497 -0.002429 0.006312 -0.000141 -0.008409 28O 3s -0.038836 0.000280 0.033553 -0.052964 0.001972 0.112849 28O 4s 0.165268 -0.021774 -0.125723 0.079475 -0.020804 -0.423037 28O 5s -0.048942 -0.018206 -0.005921 -0.150955 0.004188 0.065671 28O 1pz -0.005024 -0.000905 -0.002642 -0.004546 -0.007641 0.006598 28O 1px 0.002093 -0.003081 0.002703 -0.006043 -0.002031 0.021165 28O 1py 0.000713 0.002791 0.013472 -0.007069 0.012970 0.010584 28O 2pz -0.028567 0.014156 0.024535 0.039297 0.013306 0.055160 28O 2px 0.048818 -0.004659 -0.049607 0.004907 -0.004624 -0.174430 28O 2py -0.010461 -0.004110 -0.032778 0.031063 -0.030210 -0.032487 28O 3pz -0.056295 -0.002635 0.004224 -0.027629 -0.033839 0.076179 28O 3px 0.011283 -0.008261 -0.027070 0.000304 -0.018251 -0.032715 28O 3py -0.000520 0.005189 0.035802 -0.030522 0.038252 0.036533 28O 1dz2 0.000938 0.010776 -0.002863 -0.005033 -0.015673 0.010390 28O 1dxz -0.008412 0.007559 0.002955 -0.010653 0.001842 0.001518 28O 1dyz -0.009370 -0.004589 0.011811 -0.008168 0.019397 0.020619 28O 1dx2y2 -0.004860 0.016411 0.005307 0.004808 -0.004969 0.002675 28O 1dxy 0.001262 -0.005872 -0.003760 0.001472 -0.006944 0.013714 28O 2dz2 0.007305 0.003525 0.011482 -0.002394 0.009410 0.007856 28O 2dxz -0.018978 0.005121 0.006968 0.005901 -0.004185 0.031155 28O 2dyz 0.009109 -0.002213 -0.001737 0.006482 -0.001809 0.005578 28O 2dx2y2 0.007424 0.000064 -0.011693 0.001536 -0.002383 -0.032065 28O 2dxy -0.006466 0.002637 -0.001187 0.006619 0.001675 -0.007358 28O 1f0 0.033657 -0.101714 -0.174700 0.075843 -0.154275 -0.035870 28O 1f+1 0.026843 -0.050237 -0.203021 0.045097 -0.234151 -0.011001 28O 1f-1 -0.091237 -0.030776 -0.046243 -0.144624 -0.116830 0.251711 28O 1f+2 0.014647 -0.038173 -0.304577 0.082607 -0.367784 0.017194 28O 1f-2 -0.106796 -0.017968 0.035219 -0.143592 -0.007074 0.273404 28O 1f+3 0.018592 -0.053542 0.219889 -0.029332 0.332386 -0.078917 28O 1f-3 0.068804 0.087326 -0.014322 0.089992 0.017582 -0.285120 29O 1s 0.000171 -0.000173 0.000076 -0.000004 -0.000223 -0.000009 29O 2s 0.000536 -0.000453 0.000209 -0.000060 -0.000598 -0.000090 29O 3s -0.004188 0.002287 -0.001082 0.001493 0.003022 0.002100 29O 4s 0.005400 -0.000063 -0.000291 -0.007170 -0.002744 -0.006264 29O 5s -0.004921 0.005155 -0.001396 0.012953 0.022875 -0.002017 29O 1pz -0.000739 -0.000440 0.000484 0.004299 -0.002769 -0.002964 29O 1px -0.004526 -0.002202 -0.000285 0.006328 -0.001787 0.001267 29O 1py -0.002644 0.003006 -0.001394 0.002281 0.004873 -0.000514 29O 2pz 0.006924 0.003176 -0.005249 -0.019195 0.012682 0.006029 29O 2px 0.011175 0.006351 -0.001494 -0.018372 0.009407 -0.004652 29O 2py 0.006318 -0.009120 0.004445 -0.003779 -0.016060 0.003219 29O 3pz 0.006966 -0.005465 -0.002606 0.015789 -0.004402 -0.005712 29O 3px -0.009997 0.004670 -0.005820 0.005256 0.002649 -0.000813 29O 3py -0.003239 0.007214 -0.000598 0.006871 0.002660 0.006603 29O 1dz2 -0.002777 0.002638 -0.002334 -0.000273 -0.001400 0.002746 29O 1dxz -0.010110 0.002908 -0.000942 0.004147 -0.002792 0.000864 29O 1dyz 0.003425 -0.001253 0.003997 -0.001909 -0.000701 -0.000209 29O 1dx2y2 -0.000874 -0.002720 0.002615 0.002336 -0.006097 0.001571 29O 1dxy -0.014879 0.001899 -0.004226 0.006350 0.001337 0.003284 29O 2dz2 -0.004022 -0.000258 0.000944 0.004275 -0.002903 0.001757 29O 2dxz -0.004960 0.004035 -0.004035 -0.001638 0.004319 -0.001258 29O 2dyz -0.004405 -0.001132 0.003511 0.006798 -0.004774 0.000500 29O 2dx2y2 0.011550 -0.006073 0.003394 -0.003177 -0.005502 -0.000835 29O 2dxy -0.004551 -0.001945 0.001298 0.005456 -0.004333 0.001619 29O 1f0 -0.067244 0.035859 -0.017846 0.014781 0.031751 0.004190 29O 1f+1 0.057776 -0.029458 0.016831 -0.014811 -0.026938 0.003275 29O 1f-1 0.110978 -0.050069 0.030322 -0.030293 -0.037157 -0.010812 29O 1f+2 0.131440 -0.051065 0.036496 -0.045393 -0.030138 -0.017000 29O 1f-2 -0.012164 0.019225 -0.002536 0.001412 0.017700 -0.003119 29O 1f+3 0.076737 -0.009399 0.019250 -0.025615 0.011834 -0.018782 29O 1f-3 -0.157371 0.087640 -0.040036 0.039777 0.062323 0.006979 30O 1s -0.000614 -0.001097 -0.000793 0.000367 -0.001224 -0.000682 30O 2s -0.002542 -0.003727 -0.003106 0.001383 -0.003581 -0.002585 30O 3s 0.039963 0.037324 0.042295 -0.017231 0.015648 0.033529 30O 4s -0.146339 -0.073329 -0.148280 0.055957 0.050299 -0.126583 30O 5s -0.115814 0.019429 0.014977 -0.014449 0.134630 -0.016134 30O 1pz 0.008377 0.006665 0.004983 0.008782 0.003480 -0.004221 30O 1px 0.003009 0.005759 0.003416 -0.001061 0.000793 0.008648 30O 1py 0.007255 0.003832 0.000444 0.009475 -0.008756 -0.008063 30O 2pz 0.007417 -0.012344 0.016249 -0.021416 -0.048186 0.023834 30O 2px -0.061852 -0.028213 -0.050020 0.017636 0.042249 -0.059750 30O 2py -0.063060 -0.006993 -0.022952 -0.016714 0.062555 0.001977 30O 3pz 0.091266 0.045555 0.027034 0.024320 -0.008854 -0.026907 30O 3px -0.051599 -0.001826 -0.020570 0.008784 0.027158 -0.014754 30O 3py -0.007798 -0.011401 -0.022584 0.060139 -0.015032 -0.026920 30O 1dz2 0.000378 0.021472 0.007919 0.006814 -0.007346 0.000837 30O 1dxz 0.015056 0.009305 -0.008092 -0.012795 0.000518 0.004634 30O 1dyz -0.002386 -0.008864 -0.005361 0.002154 0.007449 -0.008846 30O 1dx2y2 0.009338 0.011885 0.003487 -0.000925 -0.012502 0.005657 30O 1dxy 0.007181 -0.002552 -0.010478 -0.009040 -0.006850 -0.000674 30O 2dz2 0.009715 0.002484 -0.002587 -0.011455 -0.001117 0.008234 30O 2dxz 0.011941 0.006502 0.013216 0.000053 -0.016182 0.003885 30O 2dyz 0.016044 0.008044 0.013714 0.002729 -0.000775 -0.000403 30O 2dx2y2 -0.001552 -0.003120 -0.004421 0.001838 0.007696 -0.009454 30O 2dxy -0.023489 -0.003601 -0.009334 0.004922 0.016904 -0.007566 30O 1f0 -0.131419 -0.197304 -0.122651 -0.024796 -0.031090 -0.076088 30O 1f+1 0.007103 0.051837 0.071639 0.184009 -0.054241 -0.110552 30O 1f-1 -0.175637 -0.190341 -0.213393 -0.246779 0.018349 0.052474 30O 1f+2 0.124779 0.146029 0.048324 0.088013 -0.119533 -0.031625 30O 1f-2 -0.161614 -0.223240 -0.211671 -0.131809 -0.031394 -0.052794 30O 1f+3 -0.146416 -0.193926 -0.166827 -0.157455 0.083389 -0.001506 30O 1f-3 -0.011276 -0.011939 0.099305 0.075194 0.076992 0.012674 31O 1s -0.000617 0.001109 -0.000780 -0.000354 0.001257 -0.000669 31O 2s -0.002563 0.003773 -0.003070 -0.001329 0.003708 -0.002553 31O 3s 0.040425 -0.037873 0.042250 0.016451 -0.017290 0.033559 31O 4s -0.148437 0.074871 -0.149820 -0.053059 -0.044507 -0.127937 31O 5s -0.117723 -0.018910 0.012854 0.015999 -0.134830 -0.018201 31O 1pz -0.008382 0.006698 -0.004862 0.008875 0.003540 0.004418 31O 1px -0.003167 0.005929 -0.003515 -0.000963 0.001096 -0.008649 31O 1py -0.007328 0.003837 -0.000503 0.009489 -0.008981 0.007887 31O 2pz -0.007760 -0.012279 -0.017101 -0.021135 -0.047535 -0.025039 31O 2px 0.062958 -0.029014 0.051011 0.016466 0.039880 0.060532 31O 2py 0.063883 -0.007134 0.023783 -0.017348 0.062422 -0.000801 31O 3pz -0.091152 0.045937 -0.026681 0.025145 -0.008937 0.026855 31O 3px 0.052214 -0.002132 0.021156 0.007817 0.026509 0.015503 31O 3py 0.008261 -0.011896 0.022683 0.059826 -0.015563 0.027052 31O 1dz2 0.000329 -0.021500 0.007891 -0.006844 0.007289 0.000726 31O 1dxz 0.015191 -0.009309 -0.008025 0.012748 -0.000411 0.004599 31O 1dyz -0.002478 0.008966 -0.005512 -0.002086 -0.007212 -0.008846 31O 1dx2y2 0.009371 -0.011894 0.003567 0.000884 0.012420 0.005644 31O 1dxy 0.007230 0.002596 -0.010395 0.009113 0.007104 -0.000569 31O 2dz2 0.009890 -0.002540 -0.002477 0.011358 0.000962 0.008248 31O 2dxz 0.011976 -0.006625 0.013362 -0.000267 0.015861 0.004217 31O 2dyz 0.016251 -0.008113 0.013680 -0.002955 0.000493 -0.000233 31O 2dx2y2 -0.001520 0.003267 -0.004502 -0.001774 -0.007446 -0.009545 31O 2dxy -0.023879 0.003720 -0.009616 -0.004660 -0.016656 -0.007902 31O 1f0 0.133354 -0.198855 0.122424 -0.026664 -0.034220 0.074416 31O 1f+1 -0.006728 0.051848 -0.070446 0.183451 -0.055750 0.110424 31O 1f-1 0.177830 -0.192357 0.211877 -0.248285 0.016586 -0.053672 31O 1f+2 -0.127324 0.146845 -0.048847 0.087921 -0.121035 0.031451 31O 1f-2 0.163951 -0.225796 0.210885 -0.134254 -0.035706 0.050929 31O 1f+3 0.148694 -0.195839 0.166715 -0.158709 0.081554 0.000817 31O 1f-3 0.011843 -0.011166 -0.098514 0.076443 0.079902 -0.011798 32O 1s 0.000168 0.000177 0.000083 -0.000001 0.000221 0.000000 32O 2s 0.000524 0.000462 0.000229 0.000048 0.000591 -0.000065 32O 3s -0.004069 -0.002306 -0.001216 -0.001446 -0.002953 0.001981 32O 4s 0.005138 0.000050 0.000010 0.007223 0.002594 -0.006219 32O 5s -0.004648 -0.005805 -0.002724 -0.012696 -0.022732 -0.002872 32O 1pz 0.000864 -0.000475 -0.000482 0.004398 -0.002791 0.002973 32O 1px 0.004626 -0.002215 0.000323 0.006244 -0.001725 -0.001386 32O 1py 0.002745 0.003045 0.001495 0.002301 0.004870 0.000585 32O 2pz -0.007607 0.003239 0.005164 -0.019661 0.012605 -0.005909 32O 2px -0.011516 0.006463 0.001455 -0.018281 0.009176 0.005112 32O 2py -0.006634 -0.009247 -0.004669 -0.003928 -0.015863 -0.003532 32O 3pz -0.006837 -0.005271 0.002659 0.015850 -0.004389 0.005911 32O 3px 0.010307 0.004807 0.005775 0.004884 0.002795 0.001070 32O 3py 0.003072 0.006990 0.000702 0.006817 0.002796 -0.006729 32O 1dz2 -0.002861 -0.002698 -0.002517 0.000342 0.001395 0.002725 32O 1dxz -0.009767 -0.002800 -0.000928 -0.003910 0.002770 0.000789 32O 1dyz 0.002987 0.001277 0.003948 0.001637 0.000766 -0.000040 32O 1dx2y2 -0.000636 0.002814 0.002662 -0.002272 0.006062 0.001642 32O 1dxy -0.015083 -0.001883 -0.004362 -0.006219 -0.001271 0.003356 32O 2dz2 -0.004000 0.000162 0.000703 -0.003961 0.002564 0.001716 32O 2dxz -0.004621 -0.004126 -0.004167 0.002087 -0.004343 -0.001421 32O 2dyz -0.004685 0.001243 0.003509 -0.007072 0.004744 0.000597 32O 2dx2y2 0.011821 0.006119 0.003500 0.003239 0.005437 -0.000756 32O 2dxy -0.004639 0.001985 0.001243 -0.005412 0.004183 0.001761 32O 1f0 0.073202 0.038801 0.020420 0.015275 0.033891 -0.004453 32O 1f+1 -0.059415 -0.030872 -0.018016 -0.014287 -0.028099 -0.003718 32O 1f-1 -0.112527 -0.050452 -0.032142 -0.029530 -0.037032 0.010724 32O 1f+2 -0.122982 -0.047451 -0.035596 -0.041202 -0.027944 0.015985 32O 1f-2 0.010540 0.017881 0.002318 0.000815 0.016123 0.003099 32O 1f+3 -0.080433 -0.011019 -0.020854 -0.025332 0.010696 0.019459 32O 1f-3 0.160150 0.089975 0.042988 0.038185 0.064427 -0.005866 33O 1s 0.000520 -0.000184 -0.000644 -0.001888 0.000029 -0.002149 33O 2s 0.002415 -0.000494 -0.002482 -0.006299 0.000220 -0.008413 33O 3s -0.038902 -0.000215 0.034060 0.052780 -0.003114 0.112849 33O 4s 0.166358 0.021604 -0.126748 -0.079001 0.025400 -0.422413 33O 5s -0.043725 0.018166 -0.006930 0.151346 -0.002678 0.065528 33O 1pz 0.004958 -0.000876 0.002602 -0.004584 -0.007772 -0.006614 33O 1px -0.001933 -0.002960 -0.002952 -0.006042 -0.001709 -0.021131 33O 1py -0.000880 0.002847 -0.013368 -0.007009 0.013275 -0.010414 33O 2pz 0.029575 0.013771 -0.024631 0.039400 0.014620 -0.055051 33O 2px -0.050415 -0.004875 0.050311 0.004624 -0.006963 0.174089 33O 2py 0.011413 -0.004258 0.032524 0.030937 -0.030882 0.031797 33O 3pz 0.055725 -0.002285 -0.005570 -0.027219 -0.032927 -0.076726 33O 3px -0.012421 -0.008103 0.027535 -0.000275 -0.019488 0.032543 33O 3py -0.000212 0.005332 -0.035604 -0.030082 0.039153 -0.037006 33O 1dz2 0.000893 -0.010758 -0.002627 0.005031 0.015514 0.010314 33O 1dxz -0.008426 -0.007674 0.003020 0.010706 -0.001996 0.001377 33O 1dyz -0.009217 0.004434 0.011631 0.008198 -0.019655 0.020345 33O 1dx2y2 -0.005109 -0.016499 0.005199 -0.004877 0.004906 0.002573 33O 1dxy 0.001413 0.005975 -0.003632 -0.001409 0.006897 0.013748 33O 2dz2 0.007165 -0.003740 0.011344 0.002206 -0.009605 0.007707 33O 2dxz -0.019381 -0.004930 0.007155 -0.005936 0.003744 0.031160 33O 2dyz 0.009427 0.002094 -0.001676 -0.006506 0.001738 0.005406 33O 2dx2y2 0.007780 -0.000032 -0.011796 -0.001364 0.002810 -0.032023 33O 2dxy -0.006877 -0.002601 -0.001233 -0.006593 -0.001652 -0.007182 33O 1f0 -0.033098 -0.102191 0.172741 0.075444 -0.157051 0.034443 33O 1f+1 -0.025598 -0.050517 0.199788 0.044152 -0.236742 0.009104 33O 1f-1 0.091437 -0.030359 0.044183 -0.145379 -0.116168 -0.251659 33O 1f+2 -0.010669 -0.037771 0.299927 0.081210 -0.371436 -0.019821 33O 1f-2 0.106866 -0.016663 -0.036221 -0.144079 -0.004958 -0.272142 33O 1f+3 -0.023577 -0.054188 -0.215915 -0.028239 0.334332 0.080865 33O 1f-3 -0.066853 0.086736 0.015808 0.090338 0.015548 0.283652 34O 1s 0.000123 0.000995 0.000694 -0.000490 0.001110 0.000469 34O 2s 0.000477 0.003392 0.002751 -0.001887 0.003649 0.001868 34O 3s -0.004639 -0.032622 -0.038195 0.025578 -0.025798 -0.025875 34O 4s 0.035367 0.051429 0.146552 -0.074396 0.017069 0.102507 34O 5s -0.156308 -0.070687 -0.017421 -0.061551 -0.092943 -0.047135 34O 1pz 0.011402 -0.003184 -0.001223 0.011002 0.004359 0.002868 34O 1px 0.007673 -0.001703 -0.002942 0.007175 -0.003911 -0.002658 34O 1py 0.004425 -0.003851 -0.005465 0.004014 -0.002024 -0.007152 34O 2pz -0.038187 0.008102 -0.011300 -0.020766 -0.015835 -0.018641 34O 2px -0.023948 0.004907 0.060316 -0.050730 -0.019565 0.038722 34O 2py -0.007426 0.015643 -0.001737 0.008215 0.025299 0.024322 34O 3pz 0.062371 0.001965 -0.007350 0.052640 0.017742 -0.009344 34O 3px -0.034006 0.010452 0.029203 -0.044227 -0.000813 0.004611 34O 3py 0.015790 -0.023909 -0.019963 0.047883 0.004818 -0.026979 34O 1dz2 -0.009298 0.018197 -0.008232 0.003613 -0.015101 -0.003004 34O 1dxz 0.002409 0.006591 0.008335 -0.012933 -0.010603 -0.012145 34O 1dyz 0.012508 -0.011908 0.006375 0.007681 0.012006 0.013896 34O 1dx2y2 0.002993 0.014856 0.001350 -0.004351 0.003359 -0.006222 34O 1dxy 0.002371 0.000611 0.007805 -0.009296 -0.000936 -0.003050 34O 2dz2 0.007346 -0.004433 -0.009766 0.011244 0.001412 -0.002200 34O 2dxz -0.002797 0.004814 -0.011737 0.010535 0.000938 -0.007809 34O 2dyz -0.001113 -0.006063 0.002804 -0.004042 -0.007373 -0.000530 34O 2dx2y2 -0.007370 0.007170 0.010637 -0.009800 -0.006782 0.009523 34O 2dxy -0.002343 0.000313 -0.012398 0.016907 0.006809 0.007816 34O 1f0 0.016548 -0.113431 -0.169315 0.101250 -0.100377 -0.051260 34O 1f+1 -0.142069 0.157000 -0.035427 -0.026142 -0.090516 -0.069283 34O 1f-1 -0.438823 0.205222 0.171887 -0.414098 -0.176001 -0.261642 34O 1f+2 0.014943 -0.101499 -0.056635 -0.004289 -0.096528 -0.051404 34O 1f-2 -0.018585 -0.010936 0.067406 -0.040177 0.017924 0.024070 34O 1f+3 0.088970 -0.089780 -0.004886 0.057038 0.070168 0.063548 34O 1f-3 0.076961 0.003919 -0.079486 0.146877 0.016953 0.068508 35O 1s -0.000806 -0.000278 0.000367 -0.001606 -0.000118 0.001595 35O 2s -0.003646 -0.000901 0.001371 -0.004967 -0.000943 0.006245 35O 3s 0.057528 0.005733 -0.016274 0.031038 0.022950 -0.085074 35O 4s -0.215254 0.004491 0.069946 0.011488 -0.099800 0.322209 35O 5s -0.021561 -0.020147 -0.062846 0.165663 -0.107426 -0.054911 35O 1pz -0.002747 -0.005917 0.005723 -0.003798 -0.000814 0.018220 35O 1px -0.005701 -0.002934 -0.002995 0.000973 0.005111 -0.007899 35O 1py 0.001534 0.005388 0.005257 -0.005477 0.004676 0.010586 35O 2pz -0.000088 0.015908 -0.018579 0.026065 -0.002740 -0.067169 35O 2px -0.072678 0.012385 0.027122 0.053914 -0.070711 0.125968 35O 2py -0.041947 -0.002842 -0.023140 0.043623 -0.024953 0.007569 35O 3pz -0.039990 -0.020666 -0.009219 -0.026981 -0.007193 0.011532 35O 3px -0.094452 -0.024600 -0.019854 0.020857 -0.059294 0.039541 35O 3py -0.031154 0.040403 0.011029 -0.032377 0.006315 0.021869 35O 1dz2 0.006051 0.018660 0.003102 0.003632 -0.015880 -0.012590 35O 1dxz -0.002714 0.011661 -0.004535 -0.001701 -0.002358 0.003058 35O 1dyz 0.000054 -0.005816 -0.012940 0.002832 0.011847 -0.011364 35O 1dx2y2 0.002261 0.014868 -0.008219 -0.014837 -0.003902 -0.009441 35O 1dxy -0.000756 -0.007673 0.010005 -0.005218 -0.007279 -0.012504 35O 2dz2 0.011812 -0.005220 0.001972 -0.012635 0.009282 -0.016474 35O 2dxz -0.014002 -0.004675 -0.003502 0.002677 -0.005054 -0.018825 35O 2dyz -0.011634 -0.004583 -0.003659 -0.008049 0.000158 -0.004823 35O 2dx2y2 -0.016707 -0.003435 0.012852 0.011645 -0.025959 0.024306 35O 2dxy -0.028060 0.005669 -0.011811 0.006551 -0.005421 0.015281 35O 1f0 -0.148675 -0.320141 0.129545 0.101127 -0.073646 -0.040849 35O 1f+1 0.061176 0.078853 -0.013277 0.034299 -0.099556 -0.177684 35O 1f-1 -0.104947 -0.016617 0.109229 -0.158991 -0.034909 0.311904 35O 1f+2 -0.091280 -0.129357 0.089450 0.068099 -0.067896 0.065302 35O 1f-2 -0.085133 -0.189627 0.011289 0.052190 0.055159 -0.014057 35O 1f+3 -0.047717 -0.063105 0.078818 -0.012233 -0.034478 0.110284 35O 1f-3 -0.001318 -0.028718 -0.061904 0.026647 0.104059 0.004553 624 625 626 627 628 629 5.18145 5.19337 5.20291 5.20528 5.20916 5.22162 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s 0.000021 -0.001649 -0.000351 -0.000326 0.000411 -0.000797 0Rh 2s -0.000166 0.009783 0.002122 0.001967 -0.002394 0.004602 0Rh 3s 0.000026 -0.004122 -0.000854 -0.000796 0.001056 -0.002076 0Rh 4s 0.000966 -0.060277 -0.013052 -0.012120 0.014815 -0.028691 0Rh 5s -0.002146 0.148210 0.032183 0.030016 -0.036563 0.072909 0Rh 6s 0.001074 -0.131540 -0.028923 -0.027627 0.032586 -0.076561 0Rh 7s 0.010753 0.078113 0.017143 0.018037 -0.012391 0.305292 0Rh 8s 0.007005 -0.056770 -0.032320 -0.035356 0.074267 -0.117102 0Rh 1pz -0.007559 0.005424 -0.020929 0.013242 0.000984 0.005325 0Rh 1px -0.006474 -0.027415 -0.010164 0.001263 0.002702 -0.023836 0Rh 1py 0.021726 0.002834 -0.005290 -0.012828 0.021587 -0.011394 0Rh 2pz 0.030868 -0.022105 0.085226 -0.054011 -0.003973 -0.021954 0Rh 2px 0.026434 0.112162 0.041453 -0.005083 -0.011077 0.098002 0Rh 2py -0.088508 -0.011493 0.021610 0.052292 -0.087920 0.046733 0Rh 3pz -0.091077 0.063860 -0.246816 0.157992 0.010978 0.068761 0Rh 3px -0.078081 -0.333471 -0.120960 0.013835 0.033111 -0.301806 0Rh 3py 0.257333 0.032679 -0.063805 -0.152330 0.254677 -0.141679 0Rh 4pz 0.100596 -0.064229 0.257590 -0.169419 -0.010207 -0.088526 0Rh 4px 0.086954 0.368896 0.127899 -0.012717 -0.036565 0.372873 0Rh 4py -0.273408 -0.033490 0.070083 0.161328 -0.265283 0.167765 0Rh 5pz -0.038733 0.006265 -0.063739 0.051997 -0.000022 0.063717 0Rh 5px -0.035578 -0.122927 -0.033189 0.001270 0.013162 -0.233288 0Rh 5py 0.084787 0.011699 -0.024004 -0.044024 0.063252 -0.082068 0Rh 6pz 0.045174 0.085485 -0.115097 0.016869 0.051798 -0.186450 0Rh 6px 0.037741 -0.130662 -0.047917 0.009576 -0.053000 0.428176 0Rh 6py -0.051396 -0.096094 -0.005664 -0.053479 0.160027 -0.228012 0Rh 1dz2 -0.000741 -0.011347 0.001778 0.003743 0.005852 -0.007195 0Rh 1dxz -0.000699 -0.009395 -0.004054 -0.001989 0.003769 -0.005095 0Rh 1dyz -0.003182 -0.004404 0.005267 0.014258 0.008955 -0.008466 0Rh 1dx2y2 -0.002143 0.015231 0.003073 0.005702 -0.003817 0.005778 0Rh 1dxy 0.008007 0.008155 0.004786 0.006907 0.002586 0.004992 0Rh 2dz2 -0.000108 0.002567 -0.001469 -0.001878 -0.001905 0.003276 0Rh 2dxz 0.000287 0.002326 0.001919 0.000213 -0.000724 0.002192 0Rh 2dyz 0.001079 0.001307 -0.002904 -0.006775 -0.003654 0.002563 0Rh 2dx2y2 0.000758 -0.003482 -0.000613 -0.002046 0.000668 -0.001382 0Rh 2dxy -0.002077 -0.001860 -0.001375 -0.002263 -0.002400 -0.000119 0Rh 3dz2 0.003912 0.040495 -0.001349 -0.008441 -0.018169 0.018225 0Rh 3dxz 0.001890 0.032653 0.009908 0.008187 -0.014143 0.013573 0Rh 3dyz 0.009694 0.014320 -0.010686 -0.034201 -0.024302 0.027264 0Rh 3dx2y2 0.006399 -0.054213 -0.011337 -0.016871 0.014654 -0.020495 0Rh 3dxy -0.027431 -0.029112 -0.015676 -0.021308 -0.000761 -0.022781 0Rh 4dz2 -0.007721 -0.064235 -0.005502 0.005768 0.025018 -0.019266 0Rh 4dxz -0.002110 -0.051217 -0.009375 -0.014515 0.023731 -0.015959 0Rh 4dyz -0.013030 -0.021151 0.004745 0.029478 0.027251 -0.037788 0Rh 4dx2y2 -0.008534 0.086221 0.018513 0.021901 -0.025395 0.032830 0Rh 4dxy 0.042461 0.046298 0.022417 0.028433 -0.011396 0.044097 0Rh 5dz2 0.009227 0.052893 0.033710 0.001871 -0.022426 -0.028464 0Rh 5dxz -0.002235 0.045476 -0.029564 0.024853 -0.022242 -0.015190 0Rh 5dyz 0.000167 0.017592 0.016320 0.024422 -0.016739 -0.007194 0Rh 5dx2y2 0.002325 -0.073134 -0.025145 -0.003619 0.022587 -0.012785 0Rh 5dxy -0.032291 -0.030019 -0.018981 -0.026831 0.061472 -0.054001 0Rh 1f0 -0.009790 -0.003314 -0.004860 0.007721 -0.006562 -0.000957 0Rh 1f+1 -0.000821 0.003257 -0.002281 -0.001399 -0.001655 -0.001217 0Rh 1f-1 -0.008891 -0.005416 0.012297 0.002257 -0.008394 -0.003950 0Rh 1f+2 -0.006545 0.000680 -0.008317 0.008831 -0.002853 -0.005181 0Rh 1f-2 -0.008678 -0.002639 -0.000662 -0.001649 -0.009504 -0.002760 0Rh 1f+3 0.005638 0.004017 0.004171 -0.003032 0.002085 -0.003151 0Rh 1f-3 -0.001372 0.002406 0.000377 0.003994 0.004151 -0.001832 1Rh 1s 0.000019 0.001651 0.000358 0.000326 -0.000413 -0.000796 1Rh 2s -0.000157 -0.009794 -0.002165 -0.001968 0.002407 0.004608 1Rh 3s 0.000022 0.004127 0.000871 0.000796 -0.001062 -0.002065 1Rh 4s 0.000907 0.060346 0.013321 0.012122 -0.014896 -0.028720 1Rh 5s -0.002003 -0.148382 -0.032862 -0.030022 0.036763 0.073002 1Rh 6s 0.000948 0.131705 0.029622 0.027632 -0.032766 -0.076798 1Rh 7s 0.010801 -0.078580 -0.019514 -0.018779 0.013200 0.306862 1Rh 8s 0.007148 0.056693 0.033095 0.036175 -0.074617 -0.115248 1Rh 1pz 0.007602 0.005394 -0.020835 0.013295 0.000985 -0.005437 1Rh 1px 0.006555 -0.027468 -0.010354 0.001208 0.002829 0.023725 1Rh 1py -0.021909 0.002765 -0.005339 -0.012877 0.021635 0.011207 1Rh 2pz -0.031045 -0.021981 0.084842 -0.054228 -0.003978 0.022411 1Rh 2px -0.026768 0.112380 0.042232 -0.004858 -0.011598 -0.097552 1Rh 2py 0.089261 -0.011211 0.021808 0.052490 -0.088115 -0.045970 1Rh 3pz 0.091598 0.063509 -0.245660 0.158643 0.010974 -0.070090 1Rh 3px 0.079085 -0.334136 -0.123339 0.013148 0.034692 0.300519 1Rh 3py -0.259608 0.031852 -0.064400 -0.152949 0.255250 0.139452 1Rh 4pz -0.101173 -0.063878 0.256252 -0.170170 -0.010149 0.089908 1Rh 4px -0.088105 0.369690 0.130780 -0.011888 -0.038439 -0.371602 1Rh 4py 0.276074 -0.032591 0.070772 0.162110 -0.265904 -0.165392 1Rh 5pz 0.038971 0.006153 -0.063059 0.052377 -0.000161 -0.063843 1Rh 5px 0.036066 -0.123355 -0.034906 0.000754 0.014157 0.233043 1Rh 5py -0.086088 0.011408 -0.024278 -0.044504 0.063459 0.081401 1Rh 6pz -0.045674 0.088265 -0.117215 0.015977 0.052469 0.181057 1Rh 6px -0.037733 -0.129547 -0.044660 0.010906 -0.054617 -0.424637 1Rh 6py 0.052367 -0.096118 -0.008089 -0.053965 0.161233 0.225306 1Rh 1dz2 -0.000767 0.011390 -0.001766 -0.003722 -0.005873 -0.007200 1Rh 1dxz -0.000726 0.009487 0.004074 0.001992 -0.003814 -0.005079 1Rh 1dyz -0.003199 0.004640 -0.005224 -0.014178 -0.009027 -0.008798 1Rh 1dx2y2 -0.002112 -0.015192 -0.003091 -0.005631 0.003789 0.005586 1Rh 1dxy 0.007933 -0.008045 -0.004781 -0.006927 -0.002611 0.004741 1Rh 2dz2 -0.000112 -0.002577 0.001460 0.001860 0.001909 0.003276 1Rh 2dxz 0.000291 -0.002337 -0.001927 -0.000216 0.000731 0.002187 1Rh 2dyz 0.001086 -0.001358 0.002902 0.006754 0.003670 0.002592 1Rh 2dx2y2 0.000749 0.003480 0.000631 0.002035 -0.000673 -0.001369 1Rh 2dxy -0.002074 0.001837 0.001380 0.002260 0.002405 -0.000103 1Rh 3dz2 0.004049 -0.040646 0.001335 0.008430 0.018249 0.018257 1Rh 3dxz 0.001997 -0.033027 -0.009963 -0.008185 0.014318 0.013517 1Rh 3dyz 0.009742 -0.015182 0.010496 0.033927 0.024563 0.028684 1Rh 3dx2y2 0.006299 0.054041 0.011336 0.016593 -0.014499 -0.019663 1Rh 3dxy -0.027108 0.028708 0.015626 0.021419 0.000853 -0.021678 1Rh 4dz2 -0.008008 0.064486 0.005495 -0.005831 -0.025159 -0.019382 1Rh 4dxz -0.002291 0.051886 0.009444 0.014502 -0.024037 -0.015831 1Rh 4dyz -0.013119 0.022582 -0.004367 -0.029061 -0.027693 -0.040539 1Rh 4dx2y2 -0.008392 -0.085904 -0.018429 -0.021428 0.025080 0.031227 1Rh 4dxy 0.041870 -0.045629 -0.022291 -0.028668 0.011238 0.041970 1Rh 5dz2 0.009866 -0.053277 -0.033633 -0.001514 0.022568 -0.027757 1Rh 5dxz -0.002083 -0.046245 0.029624 -0.024792 0.022543 -0.015815 1Rh 5dyz 0.000699 -0.019328 -0.017005 -0.024591 0.017219 -0.001912 1Rh 5dx2y2 0.002310 0.072693 0.024717 0.003095 -0.022104 -0.009911 1Rh 5dxy -0.031501 0.029225 0.018616 0.027208 -0.061256 -0.050158 1Rh 1f0 0.009758 -0.003298 -0.004823 0.007707 -0.006577 0.000996 1Rh 1f+1 0.000831 0.003257 -0.002321 -0.001407 -0.001672 0.001298 1Rh 1f-1 0.008858 -0.005308 0.012253 0.002220 -0.008412 0.003902 1Rh 1f+2 0.006528 0.000647 -0.008373 0.008799 -0.002808 0.005073 1Rh 1f-2 0.008711 -0.002664 -0.000700 -0.001671 -0.009514 0.002892 1Rh 1f+3 -0.005699 0.004051 0.004104 -0.003045 0.002089 0.003088 1Rh 1f-3 0.001427 0.002429 0.000389 0.003972 0.004179 0.001715 2C 1s 0.000018 0.000123 0.001473 -0.000434 -0.001467 0.002714 2C 2s 0.000011 -0.000363 0.004084 -0.000732 -0.003238 0.004421 2C 3s -0.003594 0.081775 -0.219924 0.019854 0.122603 -0.034547 2C 4s 0.014233 -0.394562 0.816936 -0.046248 -0.413183 -0.136483 2C 5s 0.049076 -0.139988 0.285556 -0.097092 -0.195737 0.092959 2C 1pz -0.006259 0.021634 -0.051370 0.004448 0.022891 -0.023937 2C 1px 0.008047 -0.014668 -0.012284 0.015534 0.021428 -0.010485 2C 1py 0.003109 0.006775 -0.029200 0.004139 0.025661 -0.017727 2C 2pz 0.067122 -0.267930 0.393227 0.006554 -0.175175 -0.103603 2C 2px -0.080621 0.119852 0.158582 -0.152757 -0.255377 0.078427 2C 2py -0.068743 -0.090234 0.223172 -0.039894 -0.170136 -0.107672 2C 3pz 0.022729 -0.063548 0.139062 -0.001114 -0.069283 0.046201 2C 3px -0.032109 0.024058 0.012038 -0.065060 -0.074705 0.024760 2C 3py -0.000113 -0.030251 0.082768 -0.029114 -0.050464 0.037316 2C 1dz2 -0.012038 0.010362 0.003049 -0.015400 -0.000164 -0.025024 2C 1dxz 0.011093 -0.024503 0.002406 0.011644 0.024603 -0.018815 2C 1dyz -0.001609 -0.000726 -0.002099 0.002721 -0.010229 -0.025281 2C 1dx2y2 -0.002099 0.005717 0.001061 -0.004147 0.009541 0.000206 2C 1dxy 0.010395 -0.018771 -0.000343 0.013356 0.011261 -0.005633 2C 2dz2 0.032776 -0.098848 0.118110 0.018960 0.022166 -0.045270 2C 2dxz -0.050945 0.059508 -0.042067 -0.069343 -0.007815 -0.065781 2C 2dyz -0.018820 -0.058063 0.182496 -0.023944 -0.147700 0.025713 2C 2dx2y2 -0.043118 0.065665 0.019614 -0.055481 -0.021578 0.026422 2C 2dxy 0.009824 0.034906 0.014339 -0.040724 -0.099004 0.046123 2C 1f0 -0.003224 -0.009577 0.040365 -0.013158 0.027714 -0.024094 2C 1f+1 -0.001668 -0.000453 0.027538 -0.015242 -0.013978 0.006866 2C 1f-1 0.001017 -0.019876 0.036164 0.000772 -0.011942 -0.006088 2C 1f+2 -0.004363 0.017433 -0.044143 -0.012452 0.043329 -0.017988 2C 1f-2 -0.003654 0.003001 0.017340 -0.013949 -0.011163 -0.012207 2C 1f+3 -0.005191 0.013033 -0.023425 -0.008377 0.002744 -0.015854 2C 1f-3 0.003014 -0.006119 0.016503 0.006462 -0.025291 0.017423 3C 1s 0.000599 0.000629 0.001129 -0.000917 0.001322 0.000790 3C 2s 0.000608 0.001676 0.002610 -0.002977 0.003170 0.002124 3C 3s 0.025675 -0.075122 -0.105920 0.176472 -0.158290 -0.073593 3C 4s -0.165393 0.252364 0.380151 -0.689983 0.569187 0.201670 3C 5s -0.005212 -0.014844 0.103412 -0.180722 0.348704 0.390457 3C 1pz 0.009782 0.000057 -0.012536 0.025529 -0.014115 -0.008320 3C 1px -0.020635 -0.022495 -0.021496 -0.002304 -0.020768 -0.008451 3C 1py -0.005796 0.015212 0.020080 -0.042164 0.041413 0.020304 3C 2pz -0.130266 -0.038432 0.048910 -0.171676 0.054843 0.013746 3C 2px 0.177259 0.214559 0.218140 0.028246 0.195209 0.028900 3C 2py 0.094144 -0.089417 -0.207337 0.395880 -0.315594 -0.077977 3C 3pz -0.032055 0.011160 0.008470 -0.074968 0.051434 0.065326 3C 3px 0.073300 0.031211 0.053761 0.027347 0.090879 0.043765 3C 3py 0.021843 -0.015804 -0.056026 0.110454 -0.117284 -0.127203 3C 1dz2 0.013156 0.005337 0.015462 0.002908 0.001553 -0.001124 3C 1dxz -0.021343 -0.017863 -0.001411 -0.016581 -0.006023 -0.003957 3C 1dyz -0.016143 -0.008505 -0.020007 -0.004500 -0.000994 0.004645 3C 1dx2y2 -0.014814 -0.013805 -0.000378 -0.014474 -0.008188 -0.001179 3C 1dxy 0.029623 0.019043 0.013446 0.017411 0.009098 0.003574 3C 2dz2 -0.044792 -0.047060 -0.029849 0.004571 -0.068238 -0.017336 3C 2dxz 0.004494 -0.023031 0.027939 -0.014241 0.001640 -0.006983 3C 2dyz 0.036735 -0.042468 -0.129390 0.197609 -0.127500 -0.034990 3C 2dx2y2 0.106093 0.033794 0.051049 0.098479 -0.022115 -0.011822 3C 2dxy -0.096280 -0.084570 -0.071366 -0.067491 -0.071846 -0.010411 3C 1f0 -0.001292 -0.000703 0.007733 -0.010195 -0.001771 0.001171 3C 1f+1 0.000811 0.004049 0.027006 -0.023726 0.010528 -0.005529 3C 1f-1 0.000705 0.018783 -0.034563 0.017636 0.018381 0.009563 3C 1f+2 0.022962 -0.009784 -0.009413 0.050222 -0.024120 -0.019289 3C 1f-2 -0.004036 -0.019484 -0.036610 0.029404 -0.028224 -0.005276 3C 1f+3 0.005872 0.012544 0.014741 -0.013999 0.024311 0.010056 3C 1f-3 0.014375 -0.011278 0.004053 0.034001 -0.025162 -0.009109 4C 1s -0.000138 0.000246 0.001527 -0.000476 -0.001196 0.000637 4C 2s -0.000234 0.001362 0.000816 -0.000611 -0.000820 0.001412 4C 3s 0.005275 -0.126769 0.352089 -0.048828 -0.237678 0.094295 4C 4s -0.028358 0.577945 -1.739959 0.251300 1.172280 -0.583649 4C 5s -0.025581 0.138316 -0.447370 0.086313 0.336605 -0.284851 4C 1pz 0.003682 0.002401 0.012295 -0.003687 -0.004941 0.024488 4C 1px -0.004322 0.002631 0.010041 -0.004346 -0.005359 0.005447 4C 1py -0.001772 0.004133 0.005236 0.000505 -0.013432 0.023292 4C 2pz 0.018968 -0.215523 0.143658 0.182991 0.126633 -0.311626 4C 2px -0.075816 0.238873 -0.254522 -0.443182 -0.404703 0.069675 4C 2py -0.010392 -0.038634 0.003645 -0.078881 -0.031152 -0.188826 4C 3pz 0.002281 -0.072730 0.133311 -0.075736 -0.104385 -0.058621 4C 3px 0.054333 -0.022768 0.066342 0.139029 0.065758 -0.097467 4C 3py 0.027036 -0.059312 0.118240 0.003662 -0.033693 -0.079454 4C 1dz2 -0.000893 -0.004158 0.014316 0.005536 0.004011 0.002356 4C 1dxz 0.002020 -0.012131 0.003856 -0.014456 -0.012784 -0.005663 4C 1dyz 0.000148 0.000785 -0.016442 0.003234 0.005727 -0.004033 4C 1dx2y2 -0.005747 0.011892 -0.028676 0.002362 0.023110 -0.026766 4C 1dxy 0.006798 0.000555 -0.027057 -0.004812 0.008818 0.007460 4C 2dz2 0.051338 -0.085166 0.080476 0.114269 0.175995 0.053554 4C 2dxz -0.081714 0.234556 -0.022176 -0.297862 -0.317148 0.196084 4C 2dyz 0.010939 0.085014 -0.176208 0.041602 0.088894 0.079488 4C 2dx2y2 0.015555 0.020315 -0.168281 0.007533 0.153613 -0.179212 4C 2dxy -0.096154 0.212543 -0.215772 -0.182357 -0.094475 -0.016510 4C 1f0 0.005593 -0.018321 0.019095 0.010266 -0.059058 0.027896 4C 1f+1 -0.006042 -0.017554 0.084750 -0.006025 -0.072024 0.044615 4C 1f-1 -0.000205 -0.020181 0.021662 0.014821 0.000228 -0.040644 4C 1f+2 0.001799 0.012661 -0.066746 0.050069 0.044024 -0.005169 4C 1f-2 -0.007849 0.015590 -0.013019 -0.017023 -0.026686 -0.012995 4C 1f+3 0.006569 -0.002346 0.005628 0.024408 0.029909 -0.038499 4C 1f-3 0.012498 -0.032178 0.093248 0.010829 -0.017982 0.016593 5C 1s 0.000533 0.000908 0.000898 -0.000791 0.001151 0.000800 5C 2s 0.001162 0.001120 0.000393 0.000098 0.000516 0.000597 5C 3s -0.011665 0.108416 0.204254 -0.256604 0.277169 0.156433 5C 4s 0.030496 -0.562593 -0.999614 1.257523 -1.358172 -0.844064 5C 5s -0.008931 -0.033669 -0.225561 0.291058 -0.442461 -0.118728 5C 1pz -0.000194 -0.003440 0.009010 -0.004501 0.000891 0.000325 5C 1px 0.010261 0.006432 0.002936 0.001123 0.005200 0.010058 5C 1py -0.003001 -0.006270 -0.002510 0.006852 -0.014733 -0.013294 5C 2pz -0.145044 -0.019003 -0.118993 -0.241110 -0.062345 -0.008688 5C 2px 0.232744 0.085737 0.291699 0.525482 0.270666 -0.205108 5C 2py 0.149234 0.028843 0.019173 0.228170 0.040840 0.094544 5C 3pz 0.025515 0.010939 0.038854 -0.034626 0.142367 0.211720 5C 3px -0.123700 0.007098 -0.031558 -0.168592 -0.053053 0.193680 5C 3py -0.002856 -0.022015 -0.053096 0.093385 -0.164077 -0.350750 5C 1dz2 0.004839 0.009498 0.017755 -0.020738 0.013970 0.005698 5C 1dxz -0.000415 -0.000991 0.011556 -0.003596 0.014220 0.016756 5C 1dyz -0.004506 0.004986 0.007974 -0.008642 0.019347 0.022147 5C 1dx2y2 -0.004927 -0.016530 -0.010205 0.018445 -0.014886 -0.016524 5C 1dxy 0.007353 0.012433 -0.006955 -0.013511 -0.011567 0.015942 5C 2dz2 -0.083921 -0.017620 0.068731 -0.234633 0.045482 0.079862 5C 2dxz 0.165387 0.108478 0.170615 0.137675 0.133096 0.030868 5C 2dyz 0.105657 0.131999 0.179650 0.009398 0.231684 0.010680 5C 2dx2y2 0.109291 0.016994 0.065006 0.251572 -0.041995 -0.150347 5C 2dxy -0.301128 -0.143698 -0.166994 -0.377514 -0.120361 0.018579 5C 1f0 0.022744 0.008342 0.023577 0.004707 0.039296 0.010847 5C 1f+1 -0.020702 0.018356 0.009186 -0.068846 0.043962 0.030617 5C 1f-1 0.016980 -0.013155 0.045742 0.006879 -0.016115 -0.022536 5C 1f+2 -0.002429 0.007891 -0.010869 -0.002894 -0.008986 0.004911 5C 1f-2 -0.037684 -0.033617 -0.046444 0.003407 -0.078403 -0.008970 5C 1f+3 -0.013807 0.026645 0.037299 -0.070348 0.035895 0.040423 5C 1f-3 0.009156 -0.011131 -0.054047 0.065610 -0.052497 -0.020029 6C 1s 0.000559 -0.000947 -0.000913 0.000776 -0.001145 0.000810 6C 2s 0.001215 -0.001180 -0.000419 -0.000123 -0.000505 0.000596 6C 3s -0.011500 -0.109535 -0.204819 0.256353 -0.277154 0.159773 6C 4s 0.028144 0.569819 1.003634 -1.255688 1.357481 -0.860541 6C 5s -0.008927 0.035568 0.228162 -0.290656 0.443102 -0.120888 6C 1pz 0.000055 -0.003256 0.009097 -0.004450 0.000794 -0.000278 6C 1px -0.010443 0.006543 0.003108 0.001176 0.005234 -0.010350 6C 1py 0.003160 -0.006470 -0.002683 0.006712 -0.014698 0.013433 6C 2pz 0.146266 -0.022885 -0.120130 -0.242675 -0.061762 0.004669 6C 2px -0.229149 0.083451 0.288929 0.523078 0.271543 0.221410 6C 2py -0.151491 0.035094 0.021680 0.230815 0.040115 -0.093888 6C 3pz -0.025641 0.009063 0.038618 -0.034176 0.142423 -0.211648 6C 3px 0.123429 0.006699 -0.031068 -0.167748 -0.053843 -0.192055 6C 3py 0.002888 -0.019525 -0.052630 0.092676 -0.164327 0.349294 6C 1dz2 0.005009 -0.009894 -0.017796 0.020637 -0.013812 0.006089 6C 1dxz -0.000317 0.000873 -0.011652 0.003427 -0.014116 0.016610 6C 1dyz -0.004478 -0.005193 -0.008054 0.008554 -0.019329 0.022125 6C 1dx2y2 -0.004887 0.016844 0.010341 -0.018443 0.014966 -0.017104 6C 1dxy 0.007632 -0.012303 0.006802 0.013531 0.011531 0.016646 6C 2dz2 -0.082868 0.016568 -0.069579 0.234022 -0.045080 0.083270 6C 2dxz 0.166054 -0.110690 -0.171097 -0.137990 -0.133048 0.029184 6C 2dyz 0.104853 -0.131520 -0.179031 -0.008877 -0.232205 0.009268 6C 2dx2y2 0.107049 -0.013851 -0.062709 -0.249620 0.041441 -0.156289 6C 2dxy -0.301762 0.145059 0.167270 0.377987 0.120379 0.023966 6C 1f0 -0.022925 0.008471 0.023758 0.004724 0.039252 -0.010412 6C 1f+1 0.020427 0.018634 0.009464 -0.068681 0.043967 -0.032075 6C 1f-1 -0.017185 -0.012986 0.045665 0.006857 -0.016289 0.023058 6C 1f+2 0.002423 0.007993 -0.010641 -0.002927 -0.009015 -0.005238 6C 1f-2 0.037500 -0.033837 -0.046395 0.003533 -0.078559 0.008531 6C 1f+3 0.013398 0.026968 0.037456 -0.070126 0.035751 -0.041673 6C 1f-3 -0.008941 -0.011450 -0.054199 0.065572 -0.052411 0.020442 7C 1s -0.000146 -0.000234 -0.001521 0.000488 0.001205 0.000613 7C 2s -0.000257 -0.001346 -0.000799 0.000629 0.000833 0.001368 7C 3s 0.005930 0.126823 -0.353241 0.048450 0.239327 0.094249 7C 4s -0.030872 -0.578977 1.745714 -0.249543 -1.180710 -0.582563 7C 5s -0.026354 -0.140727 0.447189 -0.085717 -0.340297 -0.282125 7C 1pz -0.003590 0.002319 0.012194 -0.003575 -0.005025 -0.024325 7C 1px 0.004396 0.002564 0.010071 -0.004329 -0.005517 -0.005140 7C 1py 0.001767 0.004101 0.005192 0.000627 -0.013527 -0.023227 7C 2pz -0.019445 -0.212165 0.145034 0.182902 0.127437 0.314151 7C 2px 0.072354 0.241619 -0.254917 -0.443349 -0.404223 -0.083092 7C 2py 0.009005 -0.036622 0.005792 -0.079029 -0.030975 0.186221 7C 3pz -0.003028 -0.071538 0.135970 -0.075522 -0.106178 0.058554 7C 3px -0.054295 -0.021566 0.065556 0.138970 0.066552 0.097008 7C 3py -0.027593 -0.058360 0.119611 0.003681 -0.034701 0.079452 7C 1dz2 -0.001032 0.004423 -0.014768 -0.005463 -0.003713 0.002314 7C 1dxz 0.002080 0.012390 -0.003919 0.014522 0.012782 -0.004912 7C 1dyz 0.000318 -0.000886 0.016818 -0.003313 -0.006015 -0.004122 7C 1dx2y2 -0.005944 -0.011968 0.028425 -0.002213 -0.023242 -0.026767 7C 1dxy 0.006800 -0.000838 0.027090 0.004807 -0.008885 0.008104 7C 2dz2 0.049901 0.086834 -0.081121 -0.113788 -0.174963 0.050963 7C 2dxz -0.080890 -0.234937 0.021941 0.297866 0.318758 0.198941 7C 2dyz 0.010268 -0.084378 0.177447 -0.041860 -0.090079 0.078896 7C 2dx2y2 0.016230 -0.020762 0.167394 -0.007622 -0.154666 -0.178069 7C 2dxy -0.095671 -0.213163 0.215903 0.183124 0.094355 -0.013509 7C 1f0 -0.005840 -0.018234 0.018641 0.010363 -0.059003 -0.027825 7C 1f+1 0.005983 -0.017557 0.084806 -0.005774 -0.072061 -0.044285 7C 1f-1 0.000207 -0.020199 0.021700 0.014845 0.000052 0.040751 7C 1f+2 -0.001735 0.012870 -0.067096 0.050213 0.044476 0.005695 7C 1f-2 0.007541 0.015880 -0.013103 -0.017129 -0.026906 0.012421 7C 1f+3 -0.006362 -0.002286 0.005581 0.024239 0.029875 0.039114 7C 1f-3 -0.012442 -0.032427 0.093492 0.010819 -0.018358 -0.015516 8C 1s 0.000624 -0.000643 -0.001143 0.000909 -0.001322 0.000789 8C 2s 0.000647 -0.001692 -0.002631 0.002970 -0.003170 0.002140 8C 3s 0.025647 0.074432 0.105947 -0.177046 0.158271 -0.075101 8C 4s -0.167987 -0.246817 -0.378189 0.693685 -0.569508 0.206929 8C 5s -0.005432 0.017090 -0.104945 0.179219 -0.349405 0.387422 8C 1pz -0.009783 0.000113 -0.012599 0.025623 -0.014126 0.008435 8C 1px 0.020745 -0.022526 -0.021597 -0.002190 -0.020860 0.008542 8C 1py 0.005690 0.015054 0.020197 -0.042174 0.041375 -0.020560 8C 2pz 0.132565 -0.039652 0.048084 -0.173637 0.056174 -0.014248 8C 2px -0.177216 0.214489 0.218630 0.025506 0.197216 -0.029041 8C 2py -0.095005 -0.085555 -0.205530 0.396211 -0.315104 0.079142 8C 3pz 0.032121 0.010670 0.008731 -0.074942 0.051531 -0.065097 8C 3px -0.073447 0.031156 0.053814 0.027420 0.091333 -0.044294 8C 3py -0.021804 -0.015253 -0.056507 0.110237 -0.117064 0.127119 8C 1dz2 0.013220 -0.005270 -0.015460 -0.002887 -0.001459 -0.001161 8C 1dxz -0.021262 0.017899 0.001406 0.016505 0.006111 -0.004072 8C 1dyz -0.016260 0.008515 0.019828 0.004567 0.000965 0.004677 8C 1dx2y2 -0.014598 0.013775 0.000289 0.014298 0.008389 -0.001250 8C 1dxy 0.029848 -0.019180 -0.013615 -0.017380 -0.009094 0.003652 8C 2dz2 -0.045915 0.047643 0.030551 -0.003919 0.068656 -0.017488 8C 2dxz 0.004821 0.023823 -0.028013 0.013961 -0.001280 -0.007663 8C 2dyz 0.035791 0.042130 0.129399 -0.197403 0.127345 -0.035838 8C 2dx2y2 0.107786 -0.034859 -0.051154 -0.100154 0.022933 -0.012364 8C 2dxy -0.095042 0.083451 0.070152 0.066968 0.071865 -0.009812 8C 1f0 0.001024 -0.000625 0.007844 -0.010186 -0.001878 -0.001242 8C 1f+1 -0.001059 0.003839 0.026774 -0.023352 0.010113 0.005690 8C 1f-1 -0.000232 0.018645 -0.034611 0.017515 0.018620 -0.009788 8C 1f+2 -0.022939 -0.009607 -0.009548 0.050380 -0.024007 0.019813 8C 1f-2 0.003928 -0.019352 -0.036466 0.029773 -0.028255 0.005599 8C 1f+3 -0.006070 0.012246 0.014700 -0.013827 0.024154 -0.009965 8C 1f-3 -0.014448 -0.011348 0.004006 0.034295 -0.025470 0.009576 9C 1s 0.000015 -0.000134 -0.001470 0.000428 0.001479 0.002703 9C 2s 0.000008 0.000336 -0.004092 0.000719 0.003264 0.004397 9C 3s -0.003918 -0.080894 0.220868 -0.019294 -0.123621 -0.034032 9C 4s 0.016507 0.390627 -0.821438 0.044623 0.416011 -0.137061 9C 5s 0.050339 0.140309 -0.286553 0.096555 0.199944 0.093793 9C 1pz 0.006311 0.021373 -0.051299 0.004241 0.023113 0.023740 9C 1px -0.007977 -0.014842 -0.012230 0.015487 0.021575 0.010391 9C 1py -0.003103 0.006755 -0.029658 0.004072 0.026057 0.017867 9C 2pz -0.069126 -0.263861 0.391252 0.006981 -0.174235 0.104733 9C 2px 0.078308 0.121768 0.158156 -0.152046 -0.256747 -0.078632 9C 2py 0.068483 -0.091630 0.231568 -0.040875 -0.173473 0.104410 9C 3pz -0.023099 -0.063339 0.139120 -0.000458 -0.069915 -0.046036 9C 3px 0.031877 0.024209 0.012301 -0.065167 -0.075296 -0.024304 9C 3py -0.000040 -0.030236 0.084019 -0.028996 -0.052021 -0.037000 9C 1dz2 -0.012066 -0.010272 -0.003593 0.015640 0.000238 -0.024642 9C 1dxz 0.010993 0.024881 -0.002661 -0.011533 -0.024713 -0.018418 9C 1dyz -0.001513 0.000556 0.002199 -0.002467 0.009849 -0.025614 9C 1dx2y2 -0.002307 -0.005617 -0.001399 0.004267 -0.009525 0.000308 9C 1dxy 0.010329 0.018619 0.000494 -0.013311 -0.011441 -0.005727 9C 2dz2 0.033128 0.098246 -0.119228 -0.018694 -0.021343 -0.043738 9C 2dxz -0.050995 -0.058120 0.040893 0.069227 0.006931 -0.065092 9C 2dyz -0.018353 0.057316 -0.183293 0.023718 0.147254 0.024404 9C 2dx2y2 -0.043962 -0.065159 -0.020393 0.055766 0.020886 0.025896 9C 2dxy 0.009187 -0.038780 -0.012290 0.041872 0.100358 0.044870 9C 1f0 0.003445 -0.009914 0.041357 -0.013420 0.027445 0.023507 9C 1f+1 0.001900 -0.000149 0.027779 -0.015221 -0.014053 -0.006822 9C 1f-1 -0.001056 -0.019579 0.036360 0.000653 -0.011902 0.006225 9C 1f+2 0.004687 0.017354 -0.044437 -0.012739 0.043205 0.017109 9C 1f-2 0.003893 0.002995 0.017349 -0.014036 -0.011142 0.012262 9C 1f+3 0.005263 0.012718 -0.023081 -0.008718 0.003046 0.015836 9C 1f-3 -0.003079 -0.005464 0.015431 0.006514 -0.024921 -0.016714 10H 1s 0.004355 -0.003488 -0.038904 0.004703 0.026899 -0.014541 10H 2s 0.044307 -0.041733 -0.161029 0.065006 0.147731 -0.111959 10H 3s -0.001202 0.000242 0.037401 0.014995 -0.005843 0.024860 10H 1pz 0.020354 -0.023710 -0.029120 0.022909 0.038111 -0.016692 10H 1px -0.005376 0.003525 0.047071 -0.009334 -0.031537 0.026407 10H 1py 0.003536 -0.011309 -0.013695 0.010719 0.023938 -0.014285 11H 1s 0.006116 -0.002434 0.008571 -0.000221 -0.024620 0.031863 11H 2s 0.030097 0.031897 0.012272 -0.001812 -0.092964 0.066944 11H 3s -0.016316 0.003500 0.003091 0.003085 -0.001479 -0.008741 11H 1pz 0.007621 0.017129 -0.019217 -0.000388 -0.014784 0.010532 11H 1px 0.001418 0.008670 0.007241 -0.004401 -0.026776 0.021629 11H 1py -0.006755 0.006006 -0.003493 -0.005335 0.010474 -0.010501 12H 1s -0.011063 0.007756 0.000900 -0.012883 0.005296 -0.006579 12H 2s -0.091719 0.086224 -0.018704 -0.048953 -0.014226 -0.050762 12H 3s 0.006026 -0.006434 0.003570 0.002500 -0.000874 0.008816 12H 1pz -0.006171 0.011250 -0.005578 -0.004403 -0.005932 0.008168 12H 1px -0.012915 0.013823 0.008404 -0.012207 -0.014163 0.004833 12H 1py -0.030463 0.034365 -0.021380 -0.018106 0.003084 -0.021850 13H 1s -0.005039 -0.025213 -0.025696 0.024351 -0.023563 -0.004793 13H 2s -0.082013 -0.133099 -0.111788 0.045947 -0.129131 -0.050210 13H 3s -0.009888 0.033735 0.009851 -0.032522 -0.006207 0.003514 13H 1pz -0.027667 -0.039661 -0.034608 0.013450 -0.036397 -0.013332 13H 1px 0.003445 0.021071 0.015169 -0.019530 0.021746 0.007488 13H 1py 0.029549 0.031623 0.021908 0.012488 0.018976 0.006113 14H 1s 0.005363 0.003918 -0.007867 0.017439 0.002276 -0.003384 14H 2s 0.061678 0.045564 -0.002777 0.118823 -0.039053 -0.022921 14H 3s 0.004584 0.009284 0.008316 -0.017079 0.009348 0.002402 14H 1pz 0.015635 0.003829 -0.010274 0.039712 -0.019275 -0.006138 14H 1px 0.026503 0.017915 0.004696 0.036643 -0.004033 -0.005956 14H 1py -0.015628 -0.010572 -0.006324 -0.012258 -0.001392 -0.005982 15H 1s 0.009676 0.002765 0.024509 -0.015121 0.014002 -0.000187 15H 2s 0.064378 0.034143 0.094434 -0.034729 0.037464 -0.006347 15H 3s -0.005814 0.002125 0.002187 0.000725 -0.009503 0.005260 15H 1pz -0.006828 -0.003792 -0.022862 0.015744 -0.009817 0.002814 15H 1px 0.008694 0.007906 0.010138 0.001126 0.006770 -0.000265 15H 1py -0.024213 -0.003124 -0.020265 -0.006958 0.001401 0.006402 16H 1s 0.002388 0.010442 0.000364 -0.003450 -0.000791 -0.006597 16H 2s 0.001053 0.062255 0.053282 0.030344 -0.040283 0.231671 16H 3s 0.000197 0.012252 0.013647 0.003734 -0.004043 -0.002291 16H 1pz 0.003010 0.044520 0.023118 0.010987 -0.017334 0.097819 16H 1px -0.000368 0.031714 -0.002787 0.006381 -0.000984 0.059657 16H 1py -0.000452 -0.019692 0.000388 -0.003930 0.002715 -0.048715 17H 1s 0.000433 0.005377 -0.000748 0.003760 0.000475 -0.008648 17H 2s -0.002749 0.067383 0.000968 0.024703 -0.052949 0.222733 17H 3s -0.007837 0.009893 -0.003823 0.005172 -0.010009 -0.008091 17H 1pz -0.001712 -0.059084 -0.007446 -0.011840 0.017754 -0.124096 17H 1px 0.000855 -0.001236 0.005978 -0.009402 0.013699 -0.010701 17H 1py -0.001949 -0.012515 -0.004582 -0.001478 -0.002102 -0.030698 18H 1s 0.000408 -0.005389 0.001081 -0.003629 -0.000510 -0.008993 18H 2s -0.002979 -0.067910 -0.003438 -0.025636 0.053131 0.223214 18H 3s -0.007703 -0.010050 0.003968 -0.005243 0.009819 -0.007853 18H 1pz 0.001733 -0.058993 -0.008165 -0.012311 0.018410 0.123420 18H 1px -0.001052 -0.000962 0.005980 -0.009419 0.013389 0.009974 18H 1py 0.002048 -0.013770 -0.004707 -0.002033 -0.001195 0.033639 19H 1s 0.002494 -0.010548 -0.000316 0.003476 0.000911 -0.006428 19H 2s 0.000618 -0.061456 -0.055403 -0.031110 0.041053 0.230296 19H 3s 0.000008 -0.012004 -0.013490 -0.003938 0.004182 -0.002510 19H 1pz -0.002922 0.044880 0.023775 0.011459 -0.017846 -0.098709 19H 1px 0.000268 0.031975 -0.002510 0.006452 -0.001136 -0.059893 19H 1py 0.000409 -0.018555 0.000921 -0.003895 0.002491 0.046231 20H 1s 0.010143 -0.002709 -0.024537 0.014750 -0.013723 -0.000310 20H 2s 0.066926 -0.034585 -0.094487 0.032817 -0.036493 -0.006910 20H 3s -0.005977 -0.002449 -0.002121 -0.000483 0.009477 0.005974 20H 1pz 0.007207 -0.003672 -0.022739 0.015446 -0.009544 -0.002917 20H 1px -0.009128 0.008153 0.010509 0.001068 0.006950 0.000282 20H 1py 0.024993 -0.003319 -0.020241 -0.007695 0.001697 -0.006757 21H 1s 0.005100 -0.004099 0.007710 -0.017013 -0.002788 -0.003402 21H 2s 0.060677 -0.046567 0.002772 -0.116941 0.037272 -0.023187 21H 3s 0.004833 -0.009325 -0.008111 0.016886 -0.009081 0.003131 21H 1pz -0.015393 0.004019 -0.010374 0.039590 -0.019001 0.006390 21H 1px -0.026214 0.018237 0.004790 0.035966 -0.003406 0.006023 21H 1py 0.015603 -0.010444 -0.006221 -0.012271 -0.001199 0.005945 22H 1s -0.005251 0.025420 0.025744 -0.024600 0.023653 -0.005221 22H 2s -0.083046 0.133617 0.112723 -0.046627 0.129460 -0.051646 22H 3s -0.009693 -0.033722 -0.009999 0.032890 0.006465 0.004001 22H 1pz 0.027951 -0.039480 -0.034592 0.013358 -0.036131 0.013649 22H 1px -0.003552 0.021252 0.015442 -0.019991 0.021986 -0.007964 22H 1py -0.029725 0.031912 0.022158 0.012192 0.019306 -0.006333 23H 1s -0.011082 -0.007136 -0.002081 0.013104 -0.004850 -0.005711 23H 2s -0.091934 -0.083483 0.013693 0.049763 0.014636 -0.048376 23H 3s 0.006145 0.005775 -0.003176 -0.002681 0.000731 0.007756 23H 1pz 0.006026 0.011117 -0.006005 -0.004090 -0.005623 -0.007874 23H 1px 0.012464 0.013219 0.009086 -0.012036 -0.014292 -0.005373 23H 1py 0.030725 0.033520 -0.019747 -0.018553 0.002951 0.021042 24H 1s 0.006385 0.001790 -0.007440 -0.000006 0.024402 0.031440 24H 2s 0.031230 -0.035706 -0.007458 0.001902 0.092067 0.063991 24H 3s -0.016643 -0.002991 -0.004076 -0.002895 0.001278 -0.008420 24H 1pz -0.007814 0.018138 -0.020533 -0.000559 -0.014493 -0.009701 24H 1px -0.001820 0.009484 0.006360 -0.004394 -0.026978 -0.021415 24H 1py 0.006853 0.005718 -0.002605 -0.005515 0.009637 0.009763 25H 1s 0.004214 0.003667 0.039194 -0.004616 -0.026984 -0.014357 25H 2s 0.043489 0.042248 0.161468 -0.064122 -0.149349 -0.111200 25H 3s -0.001196 -0.000458 -0.037499 -0.015520 0.005688 0.024461 25H 1pz -0.020253 -0.023838 -0.029784 0.022859 0.038723 0.016700 25H 1px 0.005123 0.003660 0.047095 -0.009000 -0.031832 -0.026174 25H 1py -0.003340 -0.011731 -0.012655 0.010544 0.023645 0.013568 26O 1s 0.000612 -0.001460 -0.000155 0.000131 0.000469 0.000237 26O 2s 0.002351 -0.005974 0.002200 0.001929 0.001648 0.001291 26O 3s -0.031844 0.089883 -0.096210 -0.047494 -0.008066 -0.027092 26O 4s 0.121330 -0.324315 0.461573 0.246669 0.036139 0.101869 26O 5s -0.015203 -0.199590 0.402356 0.044676 -0.068182 0.262911 26O 1pz -0.009538 0.015271 0.015269 0.006874 -0.009473 0.002969 26O 1px 0.003320 -0.016029 0.019459 0.024811 0.016138 0.001118 26O 1py 0.000035 0.008234 0.017673 0.011498 0.000981 0.003636 26O 2pz 0.029552 -0.053959 -0.070354 -0.008162 0.045569 -0.030461 26O 2px -0.050737 0.177517 -0.316416 -0.170679 -0.033215 -0.059915 26O 2py -0.006843 0.021375 -0.159830 -0.070387 0.019883 -0.038125 26O 3pz -0.019808 0.009821 -0.016233 0.051779 0.087936 -0.066105 26O 3px -0.026026 0.118493 -0.220050 -0.052267 0.063127 -0.213076 26O 3py 0.011876 0.069629 -0.108533 0.028676 0.051866 -0.078298 26O 1dz2 0.007588 0.002415 0.019620 -0.018501 -0.014784 0.006606 26O 1dxz 0.007030 -0.000709 -0.001648 -0.007964 0.007979 -0.009396 26O 1dyz -0.009710 0.011565 0.007467 -0.019555 -0.030515 0.023605 26O 1dx2y2 0.005650 0.008905 -0.011041 -0.004175 0.016847 -0.017706 26O 1dxy -0.005062 0.010977 -0.016648 -0.005080 -0.004781 0.005484 26O 2dz2 -0.007696 0.028340 -0.064330 -0.025471 0.004840 -0.015547 26O 2dxz -0.007024 0.014245 0.010258 -0.009448 -0.014787 0.007863 26O 2dyz -0.003389 0.005808 0.000038 -0.008860 -0.009210 0.006063 26O 2dx2y2 0.014917 -0.044254 0.076480 0.032229 -0.001065 0.018567 26O 2dxy 0.000564 -0.025495 0.073836 0.020784 -0.014321 0.015332 26O 1f0 0.110567 -0.027958 0.073433 -0.058964 0.134470 -0.050989 26O 1f+1 0.006866 -0.098724 -0.090451 0.102227 0.195484 -0.098465 26O 1f-1 -0.123281 0.182453 0.252068 -0.216690 -0.398719 0.266406 26O 1f+2 0.009444 0.074742 0.012984 -0.083400 0.006162 0.002378 26O 1f-2 0.095073 -0.025848 0.000372 0.000159 0.095153 -0.063664 26O 1f+3 -0.033592 0.088858 0.044826 -0.085811 -0.097908 0.027310 26O 1f-3 0.045451 0.003511 -0.074914 0.023809 0.034014 -0.046690 27O 1s -0.001761 -0.001548 -0.000236 -0.000544 0.000172 0.000386 27O 2s -0.006796 -0.004652 -0.000805 -0.005002 0.000964 0.002745 27O 3s 0.090874 0.033396 -0.000553 0.131125 -0.032084 -0.063037 27O 4s -0.341483 -0.072843 -0.010925 -0.608857 0.114589 0.262048 27O 5s 0.086332 0.131162 0.085584 -0.384335 0.177556 0.188485 27O 1pz 0.014581 0.014567 0.004041 0.001372 -0.000524 0.005540 27O 1px -0.006180 0.002187 -0.009648 -0.037859 -0.011661 0.014936 27O 1py -0.018811 -0.022876 -0.006792 0.011750 0.000249 -0.013547 27O 2pz -0.062511 -0.053738 -0.027727 -0.033856 0.001680 -0.009381 27O 2px 0.128157 -0.037971 -0.000136 0.422358 -0.051313 -0.181868 27O 2py 0.054248 0.090107 0.036061 -0.080152 0.028303 0.076182 27O 3pz 0.010574 0.021025 -0.004138 -0.037688 -0.065346 0.016717 27O 3px 0.038223 0.018643 -0.044743 0.231671 -0.133136 -0.150451 27O 3py -0.019604 -0.036962 0.051925 -0.006842 0.084835 0.034084 27O 1dz2 -0.013828 -0.004123 0.003138 -0.016323 -0.003511 -0.001121 27O 1dxz -0.001680 0.000050 0.012159 0.000883 -0.002502 0.002474 27O 1dyz -0.018438 -0.018470 -0.028771 -0.011515 -0.017244 -0.007472 27O 1dx2y2 -0.002768 -0.009047 -0.010676 0.012314 -0.029336 -0.002866 27O 1dxy -0.005752 -0.007965 -0.001786 -0.013360 -0.008814 0.003837 27O 2dz2 0.013814 -0.012171 -0.010566 0.062000 -0.021317 -0.032701 27O 2dxz 0.018739 0.013810 0.008370 0.030542 0.000672 -0.002873 27O 2dyz 0.001192 -0.001011 -0.002393 -0.010376 -0.001036 0.001956 27O 2dx2y2 -0.029987 0.012889 0.009541 -0.113230 0.026849 0.049492 27O 2dxy -0.013362 -0.025926 -0.018709 0.021309 -0.020283 -0.030384 27O 1f0 -0.356036 -0.309149 -0.233450 -0.070178 -0.311732 -0.069557 27O 1f+1 0.013565 -0.025183 -0.027123 0.026690 -0.024524 -0.032891 27O 1f-1 -0.025117 0.013546 -0.219700 0.009352 0.035956 0.074602 27O 1f+2 -0.220077 -0.183850 -0.186659 0.019343 -0.219848 -0.047066 27O 1f-2 0.125656 0.118941 0.064522 0.082477 0.080866 0.050663 27O 1f+3 0.003915 0.004522 0.018837 0.014570 -0.016788 0.000658 27O 1f-3 0.042938 -0.002581 0.070747 0.030706 -0.027605 -0.031262 28O 1s -0.000723 0.001649 0.000118 -0.000183 -0.001173 0.000261 28O 2s -0.002728 0.005850 0.001013 -0.002716 -0.006459 0.001952 28O 3s 0.034392 -0.063542 -0.042975 0.073312 0.131685 -0.050241 28O 4s -0.126884 0.215739 0.174656 -0.362037 -0.555661 0.224494 28O 5s 0.023397 0.047971 0.200389 -0.192791 -0.346049 0.450122 28O 1pz 0.004478 -0.010864 0.000553 -0.025862 -0.020485 0.012810 28O 1px 0.010638 -0.022487 0.010218 0.023914 0.024399 -0.008398 28O 1py 0.002328 -0.012175 0.001608 -0.007317 -0.004058 0.004401 28O 2pz 0.004481 0.015942 -0.089126 0.180122 0.220369 -0.144445 28O 2px -0.060894 0.106654 0.063313 -0.213370 -0.289382 0.134931 28O 2py -0.013229 0.044237 -0.021515 0.023220 0.032913 -0.042979 28O 3pz 0.023397 -0.056202 -0.124851 0.009644 0.150768 -0.040188 28O 3px 0.012367 0.039931 0.096267 -0.107333 -0.176301 0.179733 28O 3py -0.017186 0.005043 -0.060742 -0.022246 -0.006670 0.026937 28O 1dz2 -0.005967 -0.010471 0.020366 0.000342 0.015511 0.010645 28O 1dxz -0.001951 -0.006617 0.023395 -0.002829 -0.010541 0.010345 28O 1dyz 0.014904 -0.024601 0.019537 0.024334 0.000927 0.017106 28O 1dx2y2 -0.003462 -0.000135 -0.009036 -0.001823 0.011545 -0.008243 28O 1dxy 0.001995 -0.010977 0.015234 0.001244 0.005958 0.009705 28O 2dz2 0.005867 -0.015147 0.007648 0.005355 0.003018 0.010435 28O 2dxz 0.005355 -0.003521 -0.045896 0.060319 0.093579 -0.050293 28O 2dyz 0.004463 -0.008535 0.007969 0.005452 -0.001286 0.012113 28O 2dx2y2 -0.008804 0.014129 0.026880 -0.046072 -0.065629 0.027099 28O 2dxy -0.006729 0.009704 -0.008464 0.001673 0.007700 -0.012069 28O 1f0 -0.037099 0.075749 -0.048568 -0.064744 0.064407 -0.127787 28O 1f+1 -0.069582 0.060495 0.028699 -0.081325 0.040988 -0.058143 28O 1f-1 0.038094 -0.185450 0.278982 0.030861 0.007588 0.091725 28O 1f+2 -0.113008 0.063039 0.033337 -0.107512 0.088040 -0.101714 28O 1f-2 0.077623 -0.239054 0.269170 0.087713 0.017096 0.115118 28O 1f+3 0.107547 -0.002809 -0.034912 0.048389 -0.116104 0.063692 28O 1f-3 -0.110099 0.251190 -0.228193 -0.099563 -0.083389 -0.074222 29O 1s -0.000109 0.000495 0.000222 0.000332 -0.000573 0.002271 29O 2s -0.000368 0.000743 0.000493 0.000836 -0.001464 0.006244 29O 3s 0.003967 0.011288 0.000501 -0.002656 0.004975 -0.034267 29O 4s -0.009092 -0.069300 -0.010739 -0.003696 0.004444 0.084202 29O 5s 0.006096 0.023041 -0.023688 -0.030978 0.062516 -0.529003 29O 1pz -0.000513 -0.010861 -0.004786 0.000981 0.003557 -0.011662 29O 1px 0.001078 0.023113 0.003089 0.006053 -0.007590 0.024319 29O 1py -0.002736 -0.003893 -0.001511 -0.002644 0.003854 -0.016140 29O 2pz 0.003025 0.033343 0.026597 -0.001521 -0.009774 0.050957 29O 2px -0.002250 -0.065457 -0.007344 -0.020055 0.027953 -0.100730 29O 2py 0.007011 0.031344 0.009847 0.013650 -0.021696 0.087807 29O 3pz -0.000213 0.018688 0.029371 0.010294 -0.002022 0.005810 29O 3px 0.003078 -0.059145 -0.002099 -0.005880 0.010911 0.048878 29O 3py -0.001421 0.055657 0.015070 0.020175 -0.037356 0.183813 29O 1dz2 0.001299 0.018518 0.006473 0.000062 0.000061 0.051861 29O 1dxz -0.000315 0.006029 -0.007601 0.003173 0.004983 0.032737 29O 1dyz -0.001337 -0.015443 -0.006521 0.000769 -0.000943 -0.029886 29O 1dx2y2 0.000974 0.024326 0.001638 0.008027 -0.009317 0.021786 29O 1dxy -0.000268 0.025545 0.001123 0.001238 0.003245 0.045250 29O 2dz2 -0.000666 0.001888 -0.005642 -0.000808 0.003924 0.010668 29O 2dxz 0.000532 -0.002062 -0.000197 -0.002671 0.007274 0.004783 29O 2dyz -0.001258 -0.010632 -0.012050 0.000616 0.000531 -0.019152 29O 2dx2y2 0.001603 0.015796 0.004513 0.005271 -0.008291 0.015861 29O 2dxy -0.001372 0.019555 0.000586 0.005683 -0.007759 0.035119 29O 1f0 -0.006932 -0.053305 -0.015457 -0.020018 0.023297 -0.089132 29O 1f+1 0.005322 0.057482 0.010607 0.007987 -0.025053 0.092458 29O 1f-1 0.005469 0.017826 0.007062 0.016564 -0.026425 -0.009796 29O 1f+2 0.002591 -0.041802 -0.001388 0.011570 -0.021556 -0.136139 29O 1f-2 -0.004643 -0.094258 -0.012892 -0.019434 0.017191 -0.195370 29O 1f+3 -0.009649 -0.202256 -0.025296 -0.030787 0.011838 -0.431496 29O 1f-3 -0.008931 -0.126629 -0.032086 -0.035932 0.052824 -0.212723 30O 1s 0.002187 0.001269 0.000629 0.001124 0.000100 0.000706 30O 2s 0.008546 0.004847 0.004083 0.004714 0.002758 0.002969 30O 3s -0.114648 -0.070280 -0.092957 -0.054538 -0.091914 -0.045509 30O 4s 0.428665 0.254345 0.403971 0.216769 0.434608 0.158751 30O 5s -0.040194 0.194342 0.298481 -0.008946 0.273368 -0.100167 30O 1pz -0.000999 -0.002153 0.012189 0.013163 0.018061 0.003293 30O 1px -0.023590 -0.016876 -0.015412 -0.031067 -0.008859 0.001681 30O 1py 0.009105 0.007690 -0.013238 -0.007516 -0.024575 -0.006643 30O 2pz -0.059157 -0.042397 -0.139101 -0.049782 -0.163617 -0.031514 30O 2px 0.178957 0.132806 0.200536 0.136213 0.201481 0.024817 30O 2py 0.031488 0.026234 0.136580 0.026889 0.195908 0.037694 30O 3pz -0.044426 -0.057723 -0.066655 0.044298 -0.113591 -0.157845 30O 3px 0.031427 0.072831 0.140117 0.035376 0.146513 0.049472 30O 3py 0.060924 0.060036 0.100995 -0.062814 0.083007 0.163716 30O 1dz2 0.015204 0.000585 0.019448 0.009625 -0.007830 -0.019539 30O 1dxz 0.003348 0.007971 0.007499 -0.013541 0.012298 0.002285 30O 1dyz 0.017548 0.011579 0.002887 0.031468 0.007767 0.002104 30O 1dx2y2 0.004415 -0.006814 0.006399 0.015468 -0.007098 -0.004103 30O 1dxy 0.009898 0.001309 -0.008410 0.028767 -0.012069 -0.001700 30O 2dz2 -0.012814 -0.009898 -0.016555 -0.005149 -0.019269 -0.003366 30O 2dxz -0.028354 -0.026147 -0.054276 -0.012837 -0.063257 -0.019700 30O 2dyz -0.007766 -0.007390 -0.028053 0.006586 -0.036107 -0.008688 30O 2dx2y2 0.028334 0.025282 0.033196 0.021254 0.031257 0.006321 30O 2dxy 0.022296 0.021697 0.054379 0.008452 0.067870 0.016339 30O 1f0 0.127672 0.049014 -0.074078 0.257859 -0.107305 -0.010458 30O 1f+1 0.245314 0.060685 0.091804 0.283267 -0.110636 -0.063748 30O 1f-1 -0.099387 0.034796 -0.110699 -0.054909 0.088715 0.024228 30O 1f+2 0.234275 0.046004 0.068487 0.231782 -0.089785 -0.052512 30O 1f-2 0.150393 0.109123 -0.070910 0.281788 -0.035504 -0.001025 30O 1f+3 -0.047455 0.077655 -0.045885 -0.025113 0.098757 0.057240 30O 1f-3 -0.191726 -0.087539 0.009736 -0.255050 0.048765 0.042891 31O 1s 0.002185 -0.001278 -0.000633 -0.001128 -0.000103 0.000686 31O 2s 0.008539 -0.004898 -0.004097 -0.004733 -0.002765 0.002875 31O 3s -0.114671 0.071153 0.093165 0.054808 0.091959 -0.044079 31O 4s 0.429278 -0.257190 -0.404529 -0.217572 -0.434758 0.154126 31O 5s -0.039887 -0.200469 -0.300330 0.008137 -0.272838 -0.105993 31O 1pz 0.000911 -0.001915 0.012239 0.013247 0.018026 -0.003075 31O 1px 0.023591 -0.017076 -0.015423 -0.031187 -0.008841 -0.002265 31O 1py -0.009128 0.007555 -0.013270 -0.007555 -0.024598 0.006755 31O 2pz 0.059630 -0.043826 -0.139487 -0.050143 -0.163606 0.029809 31O 2px -0.179100 0.134467 0.200692 0.136644 0.201461 -0.021392 31O 2py -0.031616 0.027462 0.136846 0.027097 0.195942 -0.037091 31O 3pz 0.044734 -0.058676 -0.067775 0.043600 -0.113318 0.160187 31O 3px -0.031107 0.074924 0.140973 0.035496 0.146271 -0.048207 31O 3py -0.061557 0.061769 0.101700 -0.061996 0.082615 -0.165063 31O 1dz2 0.015211 -0.000613 -0.019376 -0.009604 0.007845 -0.019820 31O 1dxz 0.003307 -0.007795 -0.007483 0.013578 -0.012324 0.002331 31O 1dyz 0.017586 -0.011488 -0.002757 -0.031517 -0.007766 0.002147 31O 1dx2y2 0.004317 0.006712 -0.006366 -0.015538 0.007111 -0.004324 31O 1dxy 0.009845 -0.001378 0.008464 -0.028792 0.012011 -0.001912 31O 2dz2 -0.012764 0.010010 0.016517 0.005142 0.019238 -0.003242 31O 2dxz -0.028449 0.026642 0.054416 0.012949 0.063282 -0.019215 31O 2dyz -0.007726 0.007881 0.028212 -0.006473 0.036058 -0.007922 31O 2dx2y2 0.028347 -0.025374 -0.033169 -0.021259 -0.031296 0.006236 31O 2dxy 0.022359 -0.022235 -0.054421 -0.008554 -0.067853 0.015937 31O 1f0 -0.126687 0.049492 -0.074818 0.257930 -0.107108 0.011575 31O 1f+1 -0.245555 0.061417 0.091089 0.283662 -0.110833 0.065864 31O 1f-1 0.100907 0.034554 -0.110661 -0.055611 0.089216 -0.025044 31O 1f+2 -0.234151 0.046504 0.068000 0.232256 -0.089850 0.054232 31O 1f-2 -0.148842 0.109490 -0.071733 0.281743 -0.035068 0.002304 31O 1f+3 0.048030 0.077236 -0.045756 -0.025589 0.099168 -0.057737 31O 1f-3 0.190865 -0.087796 0.010369 -0.255203 0.048342 -0.044388 32O 1s -0.000111 -0.000488 -0.000242 -0.000342 0.000578 0.002245 32O 2s -0.000372 -0.000722 -0.000551 -0.000865 0.001477 0.006173 32O 3s 0.003972 -0.011450 -0.000167 0.002859 -0.005046 -0.033775 32O 4s -0.009095 0.069586 0.009939 0.003177 -0.004186 0.083500 32O 5s 0.006709 -0.023389 0.028540 0.033167 -0.063940 -0.527333 32O 1pz 0.000564 -0.010661 -0.004892 0.001011 0.003584 0.011197 32O 1px -0.001102 0.023219 0.003282 0.006073 -0.007696 -0.024184 32O 1py 0.002690 -0.003938 -0.001571 -0.002670 0.003951 0.016132 32O 2pz -0.003112 0.032027 0.026907 -0.001747 -0.009733 -0.048136 32O 2px 0.002256 -0.066026 -0.008342 -0.020323 0.028351 0.100949 32O 2py -0.006860 0.031538 0.010809 0.013840 -0.021972 -0.087826 32O 3pz 0.000427 0.016619 0.028834 0.009902 -0.001532 -0.001372 32O 3px -0.002940 -0.059898 -0.001943 -0.005968 0.010868 -0.046888 32O 3py 0.001323 0.055641 0.017250 0.021096 -0.037812 -0.184023 32O 1dz2 0.001414 -0.019037 -0.006947 -0.000376 0.000245 0.053247 32O 1dxz -0.000274 -0.005650 0.007447 -0.003230 -0.004845 0.031887 32O 1dyz -0.001291 0.013986 0.006558 -0.000854 0.000896 -0.027085 32O 1dx2y2 0.000994 -0.024240 -0.001823 -0.008101 0.009414 0.021396 32O 1dxy -0.000159 -0.026156 -0.001495 -0.001498 -0.002975 0.046358 32O 2dz2 -0.000531 -0.002437 0.005239 0.000750 -0.003855 0.011771 32O 2dxz 0.000621 0.002397 0.000054 0.002779 -0.007265 0.004242 32O 2dyz -0.001263 0.009974 0.012309 -0.000641 -0.000744 -0.018036 32O 2dx2y2 0.001608 -0.015679 -0.004743 -0.005277 0.008287 0.015507 32O 2dxy -0.001349 -0.019961 -0.001021 -0.005787 0.007793 0.035612 32O 1f0 0.006952 -0.053095 -0.015264 -0.021599 0.025063 0.086921 32O 1f+1 -0.005564 0.060740 0.011109 0.009744 -0.026571 -0.098567 32O 1f-1 -0.004849 0.012717 0.004782 0.016176 -0.025937 0.021052 32O 1f+2 -0.001770 -0.044209 -0.004240 0.010192 -0.018503 0.138152 32O 1f-2 0.004154 -0.086833 -0.012702 -0.018732 0.016402 0.180798 32O 1f+3 0.010048 -0.202611 -0.027594 -0.032037 0.013196 0.433788 32O 1f-3 0.008912 -0.130301 -0.032651 -0.038502 0.055060 0.218389 33O 1s -0.000719 -0.001664 -0.000117 0.000190 0.001186 0.000283 33O 2s -0.002706 -0.005899 -0.001008 0.002739 0.006509 0.002055 33O 3s 0.033995 0.064006 0.042936 -0.073524 -0.132411 -0.051737 33O 4s -0.125622 -0.217398 -0.174589 0.362611 0.558234 0.228288 33O 5s 0.025295 -0.044137 -0.200114 0.191561 0.347494 0.460747 33O 1pz -0.004494 -0.010981 0.000634 -0.025845 -0.020567 -0.013006 33O 1px -0.010502 -0.022576 0.010234 0.023970 0.024542 0.008871 33O 1py -0.002427 -0.012236 0.001654 -0.007284 -0.004131 -0.004422 33O 2pz -0.003926 0.016353 -0.089222 0.179827 0.221113 0.146401 33O 2px 0.059879 0.106923 0.063396 -0.213551 -0.290776 -0.138357 33O 2py 0.013425 0.044406 -0.021848 0.023234 0.033542 0.043470 33O 3pz -0.023149 -0.056882 -0.124656 0.009856 0.151043 0.039227 33O 3px -0.012971 0.039419 0.096686 -0.107004 -0.177242 -0.182630 33O 3py 0.016542 0.003907 -0.060831 -0.021652 -0.006185 -0.028554 33O 1dz2 -0.006077 0.010468 -0.020456 -0.000347 -0.015426 0.010767 33O 1dxz -0.001951 0.006396 -0.023354 0.002767 0.010638 0.010061 33O 1dyz 0.015010 0.024654 -0.019588 -0.024459 -0.000906 0.017164 33O 1dx2y2 -0.003525 0.000170 0.009138 0.001960 -0.011577 -0.008119 33O 1dxy 0.001983 0.011058 -0.015448 -0.001322 -0.005908 0.009736 33O 2dz2 0.005937 0.015335 -0.007464 -0.005475 -0.003185 0.010651 33O 2dxz 0.005013 0.003291 0.045851 -0.060242 -0.093844 -0.051371 33O 2dyz 0.004509 0.008689 -0.008035 -0.005408 0.001449 0.012746 33O 2dx2y2 -0.008592 -0.014189 -0.026947 0.046119 0.065969 0.027750 33O 2dxy -0.006690 -0.009777 0.008578 -0.001773 -0.007922 -0.012350 33O 1f0 0.038307 0.075999 -0.049314 -0.065964 0.064694 0.127981 33O 1f+1 0.071281 0.060604 0.028929 -0.082188 0.040848 0.057743 33O 1f-1 -0.036701 -0.185543 0.280031 0.031068 0.007690 -0.090560 33O 1f+2 0.115748 0.062962 0.033184 -0.108767 0.088108 0.101135 33O 1f-2 -0.076970 -0.239216 0.269830 0.088410 0.017165 -0.114171 33O 1f+3 -0.110054 -0.002199 -0.035274 0.049236 -0.116325 -0.063153 33O 1f-3 0.109472 0.251393 -0.228738 -0.099973 -0.083288 0.073609 34O 1s -0.001761 0.001538 0.000226 0.000535 -0.000165 0.000434 34O 2s -0.006781 0.004603 0.000761 0.004960 -0.000938 0.002965 34O 3s 0.090353 -0.032532 0.001271 -0.130488 0.031745 -0.066624 34O 4s -0.339036 0.070023 0.008405 0.606533 -0.113519 0.274168 34O 5s 0.089554 -0.137556 -0.089652 0.382912 -0.177155 0.204303 34O 1pz -0.014607 0.014585 0.004004 0.001400 -0.000514 -0.005273 34O 1px 0.005985 0.002430 -0.009505 -0.037712 -0.011681 -0.015573 34O 1py 0.018940 -0.023007 -0.006839 0.011671 0.000281 0.013500 34O 2pz 0.062578 -0.053807 -0.027591 -0.033976 0.001651 0.008087 34O 2px -0.126153 -0.040343 -0.001854 0.420956 -0.050886 0.189881 34O 2py -0.055138 0.090961 0.036583 -0.079679 0.028156 -0.077414 34O 3pz -0.011091 0.021484 -0.003547 -0.037557 -0.065630 -0.017353 34O 3px -0.037292 0.016704 -0.046410 0.230814 -0.132894 0.156423 34O 3py 0.019843 -0.037445 0.051931 -0.006790 0.085148 -0.033136 34O 1dz2 -0.013744 0.004172 -0.003175 0.016377 0.003533 -0.001284 34O 1dxz -0.001601 -0.000006 -0.012176 -0.000864 0.002554 0.002380 34O 1dyz -0.018535 0.018478 0.028829 0.011433 0.017213 -0.007332 34O 1dx2y2 -0.002789 0.008886 0.010710 -0.012398 0.029454 -0.002968 34O 1dxy -0.005743 0.008030 0.001814 0.013377 0.008824 0.003743 34O 2dz2 0.013493 0.012668 0.010864 -0.061764 0.021247 -0.034246 34O 2dxz 0.018669 -0.013880 -0.008340 -0.030601 -0.000656 -0.003113 34O 2dyz 0.001240 0.001061 0.002415 0.010378 0.001013 0.001742 34O 2dx2y2 -0.029559 -0.013497 -0.009943 0.112912 -0.026724 0.051461 34O 2dxy -0.013747 0.026476 0.019027 -0.021068 0.020184 -0.031730 34O 1f0 0.356747 -0.307989 -0.233976 -0.069715 -0.312231 0.068746 34O 1f+1 -0.012966 -0.025454 -0.027400 0.026762 -0.024628 0.033037 34O 1f-1 0.026491 0.012378 -0.219348 0.009965 0.036999 -0.075559 34O 1f+2 0.220935 -0.182953 -0.187115 0.019797 -0.219964 0.046904 34O 1f-2 -0.125846 0.118711 0.064720 0.082507 0.081158 -0.050193 34O 1f+3 -0.004444 0.004680 0.018892 0.014527 -0.016831 -0.000264 34O 1f-3 -0.043276 -0.002174 0.070611 0.030553 -0.027910 0.031735 35O 1s 0.000609 0.001465 0.000147 -0.000131 -0.000461 0.000214 35O 2s 0.002334 0.006003 -0.002228 -0.001932 -0.001613 0.001172 35O 3s -0.031526 -0.090406 0.096563 0.047580 0.007495 -0.024986 35O 4s 0.119994 0.325919 -0.462590 -0.247032 -0.034269 0.094227 35O 5s -0.017486 0.203961 -0.401382 -0.045118 0.070365 0.256263 35O 1pz 0.009563 0.015397 0.015208 0.006839 -0.009564 -0.002895 35O 1px -0.003170 -0.016185 0.019393 0.024773 0.016067 -0.000629 35O 1py 0.000030 0.008231 0.017747 0.011474 0.000859 -0.003598 35O 2pz -0.029700 -0.054539 -0.070072 -0.008056 0.046081 0.029905 35O 2px 0.049678 0.178824 -0.316365 -0.170797 -0.032168 0.055104 35O 2py 0.006306 0.021750 -0.160349 -0.070383 0.020712 0.036549 35O 3pz 0.020352 0.010015 -0.017503 0.051779 0.088587 0.066760 35O 3px 0.025275 0.120495 -0.221241 -0.052847 0.064547 0.209469 35O 3py -0.011932 0.071075 -0.109485 0.028392 0.052632 0.076716 35O 1dz2 0.007755 -0.002562 -0.019576 0.018362 0.014846 0.006516 35O 1dxz 0.007056 0.000683 0.001682 0.008002 -0.007965 -0.009276 35O 1dyz -0.009752 -0.011701 -0.007575 0.019574 0.030679 0.023575 35O 1dx2y2 0.005656 -0.008774 0.011110 0.004298 -0.016919 -0.017866 35O 1dxy -0.005006 -0.010935 0.016718 0.005027 0.004688 0.005373 35O 2dz2 -0.007549 -0.028593 0.064458 0.025488 -0.005096 -0.014855 35O 2dxz -0.007045 -0.014362 -0.010177 0.009494 0.014978 0.007563 35O 2dyz -0.003433 -0.005787 -0.000014 0.008873 0.009296 0.005750 35O 2dx2y2 0.014818 0.044572 -0.076409 -0.032316 0.001274 0.017587 35O 2dxy 0.000319 0.025943 -0.074097 -0.020820 0.014681 0.014229 35O 1f0 -0.111055 -0.028277 0.072823 -0.058371 0.135501 0.051239 35O 1f+1 -0.005670 -0.100159 -0.089983 0.101828 0.196172 0.097026 35O 1f-1 0.122920 0.185149 0.252551 -0.216181 -0.399930 -0.263805 35O 1f+2 -0.009639 0.074954 0.012650 -0.083061 0.006414 -0.002308 35O 1f-2 -0.095857 -0.026065 -0.000308 0.000433 0.095873 0.063723 35O 1f+3 0.033571 0.089611 0.044858 -0.085978 -0.098282 -0.026705 35O 1f-3 -0.046166 0.003595 -0.075564 0.023797 0.034335 0.046636 630 631 632 633 634 635 5.22939 5.22999 5.26729 5.28264 5.30454 5.30898 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s 0.000299 0.000108 0.000442 -0.001527 0.000069 0.000021 0Rh 2s -0.001688 -0.000610 -0.002597 0.013489 -0.000408 -0.000311 0Rh 3s 0.000800 0.000287 0.001139 -0.001182 0.000175 -0.000062 0Rh 4s 0.010579 0.003877 0.016985 -0.080414 0.002533 0.001764 0Rh 5s -0.027100 -0.010444 -0.050998 0.207851 -0.006365 -0.004424 0Rh 6s 0.029056 0.013051 0.082912 -0.243472 0.006246 0.005071 0Rh 7s -0.110286 -0.040832 -0.251985 0.446697 -0.015811 -0.012329 0Rh 8s 0.040316 0.011386 0.081378 0.268295 -0.000494 -0.003177 0Rh 1pz -0.004441 -0.000037 0.003814 -0.001619 -0.000080 -0.021571 0Rh 1px 0.007668 0.001997 -0.013708 0.005554 -0.000879 -0.008143 0Rh 1py 0.002806 -0.001369 -0.007584 -0.006561 0.001217 0.002995 0Rh 2pz 0.018215 0.000171 -0.015450 0.006415 0.000326 0.088787 0Rh 2px -0.031577 -0.008260 0.055695 -0.022117 0.003624 0.033519 0Rh 2py -0.011532 0.005602 0.031054 0.026952 -0.004994 -0.012330 0Rh 3pz -0.055254 -0.000963 0.042593 -0.014818 -0.000940 -0.274155 0Rh 3px 0.098213 0.026434 -0.156848 0.053318 -0.011296 -0.103574 0Rh 3py 0.035398 -0.016679 -0.092642 -0.082104 0.015130 0.038082 0Rh 4pz 0.065678 0.002648 -0.035973 0.003064 0.000820 0.336107 0Rh 4px -0.124201 -0.035690 0.143744 -0.020640 0.014201 0.127146 0Rh 4py -0.043300 0.018330 0.103288 0.095990 -0.017747 -0.046608 0Rh 5pz -0.035834 -0.004169 -0.006423 0.020466 0.000657 -0.189037 0Rh 5px 0.081819 0.025753 0.000884 -0.049467 -0.008876 -0.070740 0Rh 5py 0.023750 -0.005531 -0.035904 -0.029603 0.008446 0.025828 0Rh 6pz 0.079745 0.005072 -0.035359 0.090520 -0.013532 0.378708 0Rh 6px -0.134202 -0.019723 0.087654 -0.476986 0.031335 0.119539 0Rh 6py 0.078635 0.009444 -0.165980 -0.448504 -0.015748 -0.043581 0Rh 1dz2 -0.001783 0.011137 0.018213 0.008658 0.000167 -0.000384 0Rh 1dxz 0.004362 0.003969 0.025846 0.013485 0.000483 -0.002396 0Rh 1dyz -0.016741 0.007829 0.004568 0.000461 0.000045 0.000941 0Rh 1dx2y2 -0.004814 0.000011 -0.041088 -0.023178 -0.000249 0.001429 0Rh 1dxy -0.010069 0.002652 -0.013954 -0.004356 -0.000588 0.000986 0Rh 2dz2 0.003937 -0.000128 -0.002550 0.000270 -0.000062 0.000217 0Rh 2dxz -0.000352 0.000941 -0.003428 0.000073 -0.000067 0.000048 0Rh 2dyz 0.007617 -0.006440 -0.000469 0.000010 -0.000054 -0.000099 0Rh 2dx2y2 0.003233 0.001586 0.005110 0.000669 0.000108 -0.000379 0Rh 2dxy 0.003956 -0.001588 0.001792 -0.000240 0.000111 -0.000205 0Rh 3dz2 -0.010208 -0.050883 -0.073143 -0.042113 -0.000493 0.000754 0Rh 3dxz -0.018624 -0.022786 -0.104895 -0.064089 -0.001970 0.011070 0Rh 3dyz 0.041739 -0.006142 -0.019187 -0.002240 0.000065 -0.004018 0Rh 3dx2y2 0.007351 -0.007257 0.168203 0.106260 0.000684 -0.004958 0Rh 3dxy 0.028239 -0.004769 0.056902 0.021793 0.002264 -0.003694 0Rh 4dz2 0.040279 0.092585 0.128392 0.088513 0.000658 -0.000203 0Rh 4dxz 0.033344 0.047242 0.185695 0.133279 0.003629 -0.021408 0Rh 4dyz -0.035088 -0.022726 0.034638 0.005187 -0.000555 0.007744 0Rh 4dx2y2 0.001592 0.019034 -0.299122 -0.215640 -0.001041 0.008028 0Rh 4dxy -0.032459 -0.000570 -0.100987 -0.047783 -0.004002 0.006366 0Rh 5dz2 -0.126005 -0.087586 -0.128201 -0.190103 -0.000531 -0.004232 0Rh 5dxz -0.030121 -0.068500 -0.189497 -0.281161 -0.004925 0.029074 0Rh 5dyz -0.133383 0.156968 -0.037270 -0.017728 0.001458 -0.007060 0Rh 5dx2y2 -0.056820 -0.031123 0.309396 0.430622 0.001461 -0.003810 0Rh 5dxy -0.042209 0.040714 0.108609 0.119399 0.004235 -0.004877 0Rh 1f0 -0.001159 0.000345 0.009042 -0.010719 -0.000433 0.010014 0Rh 1f+1 0.003045 -0.001108 -0.008994 0.006825 -0.000042 0.009828 0Rh 1f-1 0.000615 0.002223 -0.005902 -0.002101 -0.000239 -0.006843 0Rh 1f+2 -0.000839 0.000093 -0.016414 0.009991 0.000085 0.004984 0Rh 1f-2 0.004927 -0.004331 -0.007409 0.002095 -0.000501 -0.002595 0Rh 1f+3 -0.000874 -0.002287 -0.017239 0.014506 0.000558 -0.001125 0Rh 1f-3 -0.002399 0.000523 -0.007635 0.009543 -0.000239 0.002295 1Rh 1s 0.000296 0.000108 0.000444 0.001523 -0.000069 0.000012 1Rh 2s -0.001657 -0.000624 -0.002609 -0.013462 0.000401 -0.000218 1Rh 3s 0.000801 0.000281 0.001142 0.001174 -0.000175 -0.000060 1Rh 4s 0.010397 0.003952 0.017059 0.080250 -0.002497 0.001219 1Rh 5s -0.026623 -0.010652 -0.051186 -0.207420 0.006285 -0.002995 1Rh 6s 0.028456 0.013390 0.083109 0.242960 -0.006184 0.003291 1Rh 7s -0.109129 -0.041758 -0.252170 -0.445671 0.015599 -0.008942 1Rh 8s 0.040090 0.010925 0.081651 -0.267753 0.000450 -0.001668 1Rh 1pz 0.004532 0.000056 -0.003857 -0.001413 -0.000376 0.021601 1Rh 1px -0.007735 -0.001877 0.013702 0.005538 -0.001027 0.008096 1Rh 1py -0.002762 0.001327 0.007515 -0.006439 0.001292 -0.002879 1Rh 2pz -0.018588 -0.000251 0.015626 0.005571 0.001543 -0.088905 1Rh 2px 0.031853 0.007771 -0.055669 -0.022050 0.004232 -0.033330 1Rh 2py 0.011353 -0.005434 -0.030773 0.026448 -0.005306 0.011851 1Rh 3pz 0.056331 0.001219 -0.043113 -0.012247 -0.004653 0.274471 1Rh 3px -0.099015 -0.025010 0.156781 0.053166 -0.013146 0.103093 1Rh 3py -0.034877 0.016172 0.091818 -0.080558 0.016157 -0.036626 1Rh 4pz -0.066774 -0.002980 0.036540 0.000021 0.005242 -0.336340 1Rh 4px 0.125014 0.034210 -0.143693 -0.020627 0.016397 -0.126876 1Rh 4py 0.042764 -0.017758 -0.102404 0.094108 -0.019202 0.044904 1Rh 5pz 0.035970 0.004334 0.006323 0.021899 -0.001540 0.188875 1Rh 5px -0.081949 -0.025424 -0.000883 -0.049160 -0.010024 0.071113 1Rh 5py -0.023679 0.005366 0.035682 -0.028579 0.009678 -0.025135 1Rh 6pz -0.077476 -0.003885 0.033594 0.088323 -0.010257 -0.378225 1Rh 6px 0.134465 0.019382 -0.086370 -0.478610 0.034071 -0.118494 1Rh 6py -0.077208 -0.011085 0.163558 -0.445758 -0.019858 0.046605 1Rh 1dz2 -0.001742 0.011066 0.018185 -0.008694 -0.000227 -0.000329 1Rh 1dxz 0.004441 0.003930 0.025829 -0.013476 -0.000507 -0.002307 1Rh 1dyz -0.016643 0.007811 0.004420 -0.000286 -0.000063 0.000981 1Rh 1dx2y2 -0.004875 0.000117 -0.041119 0.023279 0.000339 0.001229 1Rh 1dxy -0.010039 0.002697 -0.014063 0.004511 0.000625 0.000980 1Rh 2dz2 0.003935 -0.000116 -0.002549 -0.000256 0.000066 0.000205 1Rh 2dxz -0.000359 0.000945 -0.003425 -0.000069 0.000082 0.000040 1Rh 2dyz 0.007620 -0.006432 -0.000460 0.000002 0.000056 -0.000115 1Rh 2dx2y2 0.003240 0.001579 0.005108 -0.000676 -0.000115 -0.000361 1Rh 2dxy 0.003960 -0.001590 0.001797 0.000233 -0.000113 -0.000214 1Rh 3dz2 -0.010394 -0.050608 -0.073011 0.042214 0.000755 0.000551 1Rh 3dxz -0.018969 -0.022626 -0.104833 0.064030 0.002015 0.010683 1Rh 3dyz 0.041266 -0.006096 -0.018531 0.001353 0.000010 -0.004128 1Rh 3dx2y2 0.007601 -0.007717 0.168363 -0.106704 -0.001071 -0.004101 1Rh 3dxy 0.028078 -0.004975 0.057392 -0.022494 -0.002430 -0.003626 1Rh 4dz2 0.040666 0.092098 0.128107 -0.088588 -0.001153 0.000164 1Rh 4dxz 0.033998 0.046932 0.185609 -0.133139 -0.003643 -0.020639 1Rh 4dyz -0.034101 -0.022773 0.033322 -0.003262 0.000416 0.007874 1Rh 4dx2y2 0.001121 0.019920 -0.299474 0.216496 0.001756 0.006364 1Rh 4dxy -0.032114 -0.000164 -0.101963 0.049175 0.004320 0.006161 1Rh 5dz2 -0.126841 -0.086867 -0.127446 0.189309 0.001121 -0.004873 1Rh 5dxz -0.031220 -0.067905 -0.189654 0.281048 0.004701 0.027558 1Rh 5dyz -0.135352 0.156879 -0.034635 0.013456 -0.001369 -0.006911 1Rh 5dx2y2 -0.055979 -0.032727 0.310180 -0.431826 -0.002282 -0.000953 1Rh 5dxy -0.042895 0.039952 0.110461 -0.121800 -0.004659 -0.004122 1Rh 1f0 0.001195 -0.000383 -0.009047 -0.010695 -0.000234 -0.009961 1Rh 1f+1 -0.003056 0.001127 0.009059 0.006666 0.000091 -0.009866 1Rh 1f-1 -0.000583 -0.002199 0.005837 -0.001921 -0.000224 0.006861 1Rh 1f+2 0.000867 -0.000133 0.016357 0.010000 0.000094 -0.005035 1Rh 1f-2 -0.004986 0.004306 0.007462 0.002054 -0.000517 0.002576 1Rh 1f+3 0.000869 0.002329 0.017235 0.014466 0.000521 0.001039 1Rh 1f-3 0.002403 -0.000472 0.007573 0.009527 -0.000271 -0.002326 2C 1s 0.002422 -0.002009 -0.002751 -0.000402 0.000209 0.000087 2C 2s 0.002621 -0.002273 -0.003679 -0.000390 0.000216 -0.000081 2C 3s 0.085205 -0.038009 -0.005109 -0.009502 0.007928 0.012903 2C 4s -0.615344 0.381773 0.293987 0.044965 -0.047592 -0.043927 2C 5s -0.741566 0.109337 -0.301851 -0.105073 0.014597 0.116546 2C 1pz 0.001818 0.015078 0.014592 -0.000696 0.000267 -0.000699 2C 1px -0.005296 0.009003 0.008293 0.007480 0.000382 0.003176 2C 1py -0.003122 0.001632 0.010721 0.000589 -0.000195 0.001296 2C 2pz -0.354197 0.225059 0.221298 0.027453 0.023431 -0.024542 2C 2px 0.025484 -0.040770 -0.044942 -0.104559 -0.012579 -0.007782 2C 2py -0.254235 0.170371 0.150541 -0.010743 -0.073988 0.056972 2C 3pz -0.173737 0.037463 -0.078623 -0.023891 -0.031195 0.053226 2C 3px -0.066186 0.029437 -0.012355 0.026415 0.011452 -0.033470 2C 3py -0.110865 0.011036 -0.045881 -0.011792 0.045398 -0.033658 2C 1dz2 -0.035260 0.006057 0.022100 -0.001484 -0.002179 0.003621 2C 1dxz -0.025425 0.004420 0.014877 0.002441 -0.007270 0.003602 2C 1dyz -0.034811 0.043587 0.028596 0.001448 -0.002960 0.002369 2C 1dx2y2 0.002736 -0.020415 -0.005914 -0.003509 -0.005732 0.007132 2C 1dxy -0.009678 0.013266 0.009549 0.002413 0.008416 -0.009608 2C 2dz2 -0.098755 0.000604 0.049292 0.017506 -0.055109 0.066758 2C 2dxz -0.104559 0.024913 0.069894 -0.025837 -0.013251 -0.012604 2C 2dyz -0.050720 0.049354 0.030704 -0.010632 0.014489 -0.014032 2C 2dx2y2 0.043520 -0.094731 -0.053138 -0.032882 -0.032194 0.029193 2C 2dxy 0.019843 0.035472 -0.003530 -0.020087 0.029780 -0.047856 2C 1f0 -0.032176 -0.051090 0.000039 0.003188 -0.045711 0.055147 2C 1f+1 -0.009681 -0.016189 -0.000341 -0.008520 0.034990 -0.042258 2C 1f-1 -0.037915 0.021743 0.027062 0.007643 0.025576 -0.025598 2C 1f+2 -0.015514 -0.030242 0.014914 -0.012014 0.020413 -0.017818 2C 1f-2 -0.023310 0.005554 0.002885 -0.001945 -0.037583 0.012893 2C 1f+3 -0.008155 0.004863 0.006138 -0.006890 -0.052835 0.049574 2C 1f-3 0.024714 0.009891 -0.016262 0.004789 -0.009833 0.017177 3C 1s -0.003894 0.001242 -0.002747 0.000030 -0.000024 0.000289 3C 2s -0.005387 0.000942 -0.003466 0.000310 0.000071 0.000385 3C 3s -0.036133 0.057688 -0.012072 -0.025278 -0.005732 0.002585 3C 4s 0.563015 -0.393076 0.306848 0.130302 0.011691 -0.044243 3C 5s 0.592082 -0.141795 -0.427701 -0.021444 -0.014433 -0.021878 3C 1pz 0.008602 0.006421 0.006330 -0.004239 0.000165 -0.001164 3C 1px 0.010692 -0.003428 0.006814 0.004204 -0.001418 0.000667 3C 1py -0.019172 0.010222 -0.018549 0.003479 0.000517 0.002418 3C 2pz 0.329634 -0.195087 0.180924 0.067198 -0.042139 -0.047571 3C 2px 0.083189 -0.044080 0.030196 -0.078939 -0.039000 -0.049851 3C 2py -0.304742 0.186689 -0.170643 -0.071842 -0.037457 -0.036648 3C 3pz 0.040850 -0.007552 -0.050792 0.010735 0.017769 0.018233 3C 3px 0.067558 -0.026805 -0.034787 0.014544 0.048273 0.033958 3C 3py -0.119098 0.064907 0.095170 -0.004281 0.031423 0.035815 3C 1dz2 -0.024402 -0.004345 -0.009798 0.001246 -0.001886 0.000675 3C 1dxz 0.011779 -0.018442 0.011133 0.004299 0.009140 0.005998 3C 1dyz -0.034257 0.035735 -0.024814 0.000385 -0.004448 -0.005785 3C 1dx2y2 -0.044998 0.004801 -0.018904 0.001771 0.003917 0.004281 3C 1dxy -0.038593 0.016632 -0.019452 0.000178 0.005773 0.009660 3C 2dz2 -0.007108 -0.027713 0.006989 0.013241 0.007910 0.014757 3C 2dxz 0.047783 -0.066551 0.050976 0.020550 0.041270 0.025864 3C 2dyz 0.042346 0.060673 -0.003066 -0.027459 -0.014357 -0.033807 3C 2dx2y2 -0.154861 0.016806 -0.058567 -0.025414 0.058596 0.052281 3C 2dxy -0.109520 0.025736 -0.060003 0.030093 -0.024471 -0.004019 3C 1f0 -0.046564 0.003763 -0.016035 0.005770 0.045873 0.048189 3C 1f+1 -0.035537 -0.014606 -0.021466 0.001552 -0.032486 -0.027708 3C 1f-1 0.044463 0.049267 -0.003192 -0.011159 -0.033768 -0.045547 3C 1f+2 -0.013923 0.018665 -0.015770 -0.014663 -0.024579 -0.029212 3C 1f-2 0.005614 0.024248 0.001168 0.003381 0.027012 0.040558 3C 1f+3 0.013788 -0.006687 0.016160 -0.003997 0.053045 0.042835 3C 1f-3 -0.000752 -0.022371 0.014704 -0.001684 0.010220 -0.004544 4C 1s -0.000012 -0.000292 -0.001414 0.000778 0.000019 -0.000205 4C 2s 0.001826 -0.001635 -0.003543 0.001338 0.000150 -0.000343 4C 3s -0.150357 0.052124 0.030553 0.004517 -0.004547 -0.022461 4C 4s 0.666303 -0.186301 -0.104901 -0.058914 0.016529 0.119427 4C 5s -0.177653 0.282023 0.120463 -0.110456 -0.032341 0.031151 4C 1pz 0.018237 -0.032075 -0.024682 -0.003058 -0.000459 0.009597 4C 1px 0.006636 -0.012602 -0.015569 0.001294 -0.000035 -0.023979 4C 1py 0.025894 -0.000666 -0.022253 0.000131 0.003003 -0.007240 4C 2pz -0.271316 0.274040 0.259527 0.038942 -0.006715 -0.084268 4C 2px -0.055700 0.099891 0.152562 -0.111929 -0.022208 0.309074 4C 2py -0.224729 0.127434 0.219242 -0.026446 -0.038374 0.093566 4C 3pz -0.900874 0.410417 -0.161208 -0.061801 0.001241 0.037863 4C 3px -0.144689 0.099845 -0.048769 -0.059808 -0.002190 0.117154 4C 3py -0.625735 0.248504 -0.115204 -0.078508 -0.023444 0.082796 4C 1dz2 -0.003893 -0.026546 -0.006376 -0.013736 0.024088 -0.022669 4C 1dxz -0.011206 -0.006081 -0.015807 0.012255 -0.032719 0.034447 4C 1dyz 0.036339 -0.007552 -0.013186 -0.004899 -0.024863 0.024394 4C 1dx2y2 0.006709 -0.010822 0.014510 0.007486 -0.040484 0.035643 4C 1dxy 0.006661 -0.001027 0.022300 0.006663 0.060948 -0.046374 4C 2dz2 0.077736 -0.145166 -0.119706 0.075488 -0.005662 -0.024196 4C 2dxz 0.070260 -0.085674 -0.060258 -0.125187 -0.000898 0.038895 4C 2dyz 0.151585 -0.065193 -0.115154 0.012127 0.015724 -0.002710 4C 2dx2y2 -0.104826 0.073183 0.126974 -0.035976 -0.019700 0.045962 4C 2dxy 0.014020 0.006097 0.022375 -0.111757 -0.003175 0.038757 4C 1f0 0.025637 0.051023 -0.025596 0.008957 -0.056489 0.042146 4C 1f+1 0.002682 0.010480 -0.022389 0.017255 0.054339 -0.046003 4C 1f-1 -0.069047 0.057499 0.047302 0.003483 0.034347 -0.051984 4C 1f+2 0.052963 0.024296 -0.002613 0.005049 0.034957 -0.044259 4C 1f-2 -0.017694 0.028963 0.018707 -0.003745 -0.038361 0.064745 4C 1f+3 -0.009183 0.008668 -0.005019 0.019985 -0.075016 0.059126 4C 1f-3 -0.006238 -0.034409 -0.038335 0.014348 -0.020168 -0.006616 5C 1s -0.000632 -0.000323 -0.001043 -0.001006 0.000430 0.000521 5C 2s -0.002705 0.000521 -0.002895 -0.002193 0.000744 0.000803 5C 3s 0.051459 -0.081609 0.034203 0.045321 0.006036 0.023988 5C 4s -0.113554 0.363954 -0.143147 -0.174068 -0.046626 -0.134244 5C 5s 0.314338 -0.246132 0.159407 0.098839 0.035874 -0.049855 5C 1pz -0.030596 -0.007917 -0.015660 0.001047 0.000987 0.010610 5C 1px -0.016845 0.007931 -0.003939 0.002013 0.003895 -0.019045 5C 1py 0.035222 -0.027499 0.030236 0.000961 0.000727 -0.005655 5C 2pz 0.264498 -0.062918 0.187134 0.071545 -0.020687 -0.138911 5C 2px 0.251478 -0.055454 -0.006539 -0.172032 -0.010796 0.260014 5C 2py -0.400106 0.227810 -0.289885 -0.072748 0.006777 0.096499 5C 3pz 0.512641 -0.229695 -0.153364 0.025887 -0.001826 -0.069856 5C 3px 0.277678 -0.174174 -0.040984 -0.023033 -0.019525 0.034808 5C 3py -0.799240 0.445130 0.215743 -0.064585 -0.020816 0.071654 5C 1dz2 -0.006107 -0.024564 -0.016485 -0.004287 -0.034455 -0.033373 5C 1dxz -0.008042 -0.010896 0.002240 0.015952 0.061365 0.062554 5C 1dyz 0.029145 -0.009677 0.003358 0.002543 0.001302 0.001587 5C 1dx2y2 0.001162 -0.012242 0.022394 -0.002788 0.007929 0.006543 5C 1dxy 0.000247 -0.008245 0.021244 -0.010048 0.050054 0.039981 5C 2dz2 -0.095156 -0.056530 0.003609 0.074642 0.008166 0.002387 5C 2dxz -0.137318 0.034755 -0.100158 -0.095388 0.024745 0.079087 5C 2dyz 0.129581 -0.032907 0.059490 -0.055011 0.003936 0.033665 5C 2dx2y2 0.251118 -0.107869 0.123399 -0.058450 0.011383 0.017331 5C 2dxy 0.108377 -0.070490 0.111265 0.170149 -0.025818 -0.073829 5C 1f0 -0.061216 0.034734 -0.041356 -0.016027 0.060906 0.084210 5C 1f+1 -0.020760 0.028667 -0.033873 0.000098 -0.054712 -0.072352 5C 1f-1 -0.046263 -0.050410 -0.013781 0.000419 -0.032540 -0.016954 5C 1f+2 -0.065111 0.032725 -0.035734 0.012500 -0.029833 -0.024313 5C 1f-2 -0.038300 0.000413 0.019471 0.020582 0.039169 0.007224 5C 1f+3 0.002915 -0.035980 0.020069 0.019836 0.076734 0.078759 5C 1f-3 0.025414 0.032159 0.019747 0.001296 0.009028 0.017488 6C 1s -0.000635 -0.000312 -0.001037 0.000982 -0.000434 0.000507 6C 2s -0.002711 0.000533 -0.002895 0.002149 -0.000750 0.000775 6C 3s 0.051334 -0.080526 0.036548 -0.044574 -0.006306 0.024112 6C 4s -0.112569 0.358069 -0.154677 0.172145 0.048343 -0.134251 6C 5s 0.315065 -0.244788 0.157074 -0.093460 -0.034913 -0.050705 6C 1pz 0.030522 0.007955 0.015613 0.001090 0.001197 -0.010679 6C 1px 0.016986 -0.007882 0.003772 0.002615 0.003487 0.018986 6C 1py -0.035181 0.027457 -0.030055 0.000670 0.000678 0.005663 6C 2pz -0.263458 0.063126 -0.187438 0.070314 -0.023092 0.138875 6C 2px -0.254725 0.053524 0.014408 -0.184369 -0.005844 -0.258646 6C 2py 0.400140 -0.227569 0.287990 -0.066898 0.007987 -0.096176 6C 3pz -0.512225 0.230889 0.153547 0.020967 -0.003835 0.070224 6C 3px -0.278548 0.174747 0.041806 -0.028949 -0.018212 -0.035264 6C 3py 0.799504 -0.447294 -0.216966 -0.056215 -0.019014 -0.071368 6C 1dz2 -0.006154 -0.024572 -0.016128 0.003520 0.034702 -0.033007 6C 1dxz -0.007864 -0.010990 0.002219 -0.015102 -0.061737 0.061949 6C 1dyz 0.029228 -0.009500 0.003393 -0.002304 -0.001338 0.001494 6C 1dx2y2 0.001396 -0.012320 0.022124 0.003446 -0.008126 0.006423 6C 1dxy -0.000095 -0.008130 0.021450 0.010488 -0.050228 0.039252 6C 2dz2 -0.094977 -0.056375 0.005613 -0.075928 -0.008645 0.003253 6C 2dxz -0.137256 0.035826 -0.100118 0.094930 -0.025390 0.078133 6C 2dyz 0.129524 -0.031784 0.058988 0.058039 -0.004054 0.032878 6C 2dx2y2 0.251699 -0.107463 0.119782 0.063513 -0.011543 0.016768 6C 2dxy 0.108353 -0.071418 0.112813 -0.171625 0.026551 -0.072297 6C 1f0 0.061100 -0.034769 0.041453 -0.016462 0.061551 -0.083427 6C 1f+1 0.021064 -0.028657 0.033003 0.001279 -0.055324 0.071673 6C 1f-1 0.045957 0.050421 0.013903 0.000708 -0.032346 0.016407 6C 1f+2 0.065275 -0.032628 0.035588 0.013429 -0.029934 0.023840 6C 1f-2 0.038339 -0.000037 -0.019583 0.020797 0.038898 -0.007035 6C 1f+3 -0.002790 0.035762 -0.020720 0.018895 0.077263 -0.077913 6C 1f-3 -0.025225 -0.032011 -0.019338 0.000974 0.009165 -0.017237 7C 1s -0.000002 -0.000299 -0.001424 -0.000727 -0.000008 -0.000193 7C 2s 0.001846 -0.001637 -0.003571 -0.001241 -0.000128 -0.000324 7C 3s -0.149853 0.052113 0.031737 -0.005345 0.004608 -0.022362 7C 4s 0.663440 -0.185621 -0.110185 0.059483 -0.017238 0.118378 7C 5s -0.183169 0.276776 0.121842 0.104780 0.031581 0.029800 7C 1pz -0.018257 0.031826 0.024573 -0.003872 -0.000466 -0.009603 7C 1px -0.006821 0.012456 0.015800 0.001663 -0.000318 0.023889 7C 1py -0.026046 0.000562 0.022299 -0.000163 0.002878 0.007276 7C 2pz 0.270283 -0.271196 -0.256098 0.053625 -0.005059 0.085032 7C 2px 0.060138 -0.098675 -0.159515 -0.120162 -0.021098 -0.309379 7C 2py 0.226820 -0.126118 -0.220559 -0.020869 -0.037006 -0.093848 7C 3pz 0.897813 -0.413787 0.162406 -0.051207 0.002666 -0.037248 7C 3px 0.144249 -0.099489 0.047826 -0.058925 -0.000164 -0.115241 7C 3py 0.625624 -0.251582 0.115865 -0.072861 -0.021963 -0.082606 7C 1dz2 -0.003657 -0.026640 -0.006749 0.013720 -0.023699 -0.023043 7C 1dxz -0.011317 -0.006201 -0.015430 -0.011669 0.032464 0.035069 7C 1dyz 0.036157 -0.007409 -0.013002 0.005059 0.024477 0.024636 7C 1dx2y2 0.006741 -0.011129 0.014231 -0.007801 0.039762 0.036153 7C 1dxy 0.006382 -0.001145 0.022557 -0.006686 -0.059947 -0.046941 7C 2dz2 0.078334 -0.144713 -0.120456 -0.073658 0.005874 -0.023678 7C 2dxz 0.068893 -0.084195 -0.057667 0.131557 0.002466 0.039433 7C 2dyz 0.151874 -0.064828 -0.115705 -0.008866 -0.015434 -0.002899 7C 2dx2y2 -0.106113 0.072796 0.126966 0.032016 0.018686 0.045668 7C 2dxy 0.012561 0.006091 0.023399 0.113764 0.004080 0.039029 7C 1f0 -0.025883 -0.051090 0.025507 0.008710 -0.055662 -0.042977 7C 1f+1 -0.003051 -0.010423 0.022348 0.017043 0.053625 0.046733 7C 1f-1 0.068790 -0.057604 -0.047034 0.004977 0.033689 0.052365 7C 1f+2 -0.053050 -0.024209 0.003210 0.005641 0.034427 0.044851 7C 1f-2 0.017805 -0.029056 -0.018944 -0.003945 -0.037093 -0.064936 7C 1f+3 0.008951 -0.008640 0.005333 0.020657 -0.073563 -0.060009 7C 1f-3 0.005878 0.034212 0.038609 0.014494 -0.020121 0.006167 8C 1s -0.003884 0.001246 -0.002745 -0.000047 0.000025 0.000295 8C 2s -0.005369 0.000962 -0.003457 -0.000316 -0.000070 0.000391 8C 3s -0.036186 0.056867 -0.012631 0.023817 0.005634 0.002822 8C 4s 0.562986 -0.389840 0.308015 -0.120776 -0.011103 -0.045253 8C 5s 0.591205 -0.147516 -0.429068 0.026382 0.015641 -0.020200 8C 1pz -0.008606 -0.006356 -0.006324 -0.004196 0.000135 0.001213 8C 1px -0.010917 0.003561 -0.006819 0.004322 -0.001361 -0.000702 8C 1py 0.019087 -0.010202 0.018399 0.003382 0.000497 -0.002424 8C 2pz -0.328828 0.193385 -0.179425 0.063965 -0.043450 0.047992 8C 2px -0.080140 0.041826 -0.028818 -0.080945 -0.038746 0.048996 8C 2py 0.306934 -0.186595 0.171430 -0.065510 -0.037980 0.036750 8C 3pz -0.041162 0.008386 0.051003 0.009979 0.018813 -0.019433 8C 3px -0.067778 0.027382 0.034605 0.013497 0.047265 -0.032514 8C 3py 0.118743 -0.065339 -0.095208 -0.003193 0.032118 -0.035553 8C 1dz2 -0.024349 -0.004377 -0.009742 -0.001364 0.001844 0.000725 8C 1dxz 0.011917 -0.018600 0.011122 -0.004075 -0.009238 0.006013 8C 1dyz -0.034355 0.035623 -0.024832 -0.000948 0.004579 -0.005758 8C 1dx2y2 -0.044674 0.004604 -0.018816 -0.002019 -0.003962 0.004356 8C 1dxy -0.038846 0.016603 -0.019413 -0.000299 -0.005893 0.009656 8C 2dz2 -0.006726 -0.027860 0.007089 -0.014048 -0.009052 0.015600 8C 2dxz 0.048014 -0.067408 0.050960 -0.019024 -0.041461 0.025800 8C 2dyz 0.041513 0.060254 -0.003468 0.025841 0.015548 -0.034755 8C 2dx2y2 -0.153792 0.016421 -0.057734 0.025015 -0.058757 0.051567 8C 2dxy -0.109887 0.025056 -0.059891 -0.031730 0.023167 -0.002351 8C 1f0 0.046457 -0.003590 0.015999 0.005509 0.046189 -0.047818 8C 1f+1 0.035110 0.014502 0.021307 0.001849 -0.032572 0.027220 8C 1f-1 -0.044105 -0.049470 0.003162 -0.010746 -0.034219 0.045368 8C 1f+2 0.013690 -0.018534 0.015886 -0.014142 -0.024850 0.028848 8C 1f-2 -0.005384 -0.024067 -0.000952 0.003292 0.027294 -0.040329 8C 1f+3 -0.013883 0.006715 -0.016181 -0.004998 0.053195 -0.042309 8C 1f-3 0.000587 0.022659 -0.014798 -0.001603 0.010094 0.004552 9C 1s 0.002422 -0.002003 -0.002746 0.000454 -0.000196 0.000089 9C 2s 0.002618 -0.002282 -0.003673 0.000444 -0.000200 -0.000082 9C 3s 0.084880 -0.037414 -0.005072 0.011739 -0.007703 0.013144 9C 4s -0.614724 0.377951 0.293839 -0.060806 0.045429 -0.045069 9C 5s -0.734480 0.120624 -0.303649 0.100296 -0.015834 0.116845 9C 1pz -0.001686 -0.014815 -0.014503 -0.000813 0.000279 0.000694 9C 1px 0.005395 -0.008844 -0.008329 0.007556 0.000443 -0.003220 9C 1py 0.003405 -0.001719 -0.010914 0.000544 -0.000168 -0.001296 9C 2pz 0.355873 -0.225095 -0.223430 0.035445 0.024273 0.025186 9C 2px -0.026467 0.039550 0.045219 -0.104439 -0.010332 0.010476 9C 2py 0.251812 -0.165584 -0.148249 -0.005313 -0.073016 -0.058651 9C 3pz 0.171111 -0.038581 0.078749 -0.022710 -0.030190 -0.053398 9C 3px 0.065501 -0.029810 0.012700 0.027114 0.008749 0.030946 9C 3py 0.112033 -0.013283 0.046565 -0.010132 0.045169 0.034704 9C 1dz2 -0.034953 0.005382 0.021675 0.001153 0.002121 0.003738 9C 1dxz -0.025264 0.003963 0.014769 -0.002733 0.007172 0.003713 9C 1dyz -0.035388 0.043342 0.028936 -0.002019 0.002883 0.002487 9C 1dx2y2 0.002912 -0.020887 -0.006220 0.003679 0.005801 0.007342 9C 1dxy -0.009956 0.013219 0.009735 -0.002486 -0.008331 -0.009693 9C 2dz2 -0.096923 -0.001188 0.048238 -0.018921 0.053638 0.067330 9C 2dxz -0.103888 0.023564 0.068998 0.023844 0.015201 -0.010543 9C 2dyz -0.052186 0.048855 0.031695 0.008560 -0.014233 -0.013985 9C 2dx2y2 0.043916 -0.096426 -0.053943 0.034192 0.033309 0.030877 9C 2dxy 0.018837 0.036753 -0.002809 0.021054 -0.027908 -0.047304 9C 1f0 0.031252 0.052352 0.000822 0.003184 -0.045198 -0.056005 9C 1f+1 0.009557 0.016444 0.000492 -0.008294 0.034671 0.042921 9C 1f-1 0.037995 -0.021101 -0.027041 0.008263 0.024985 0.025520 9C 1f+2 0.014764 0.030550 -0.014577 -0.012575 0.020021 0.017759 9C 1f-2 0.023168 -0.005162 -0.002850 -0.001500 -0.036420 -0.012512 9C 1f+3 0.008555 -0.004521 -0.006245 -0.007007 -0.052069 -0.050071 9C 1f-3 -0.024377 -0.010254 0.015764 0.004510 -0.009941 -0.017903 10H 1s -0.021146 0.011109 0.023026 -0.003225 0.013247 -0.016328 10H 2s -0.091483 0.101886 0.107234 0.051966 0.012740 0.003108 10H 3s 0.060985 -0.022018 -0.004839 -0.029515 -0.017180 0.002469 10H 1pz -0.012811 0.015424 0.015579 0.014264 0.001032 0.004380 10H 1px 0.026052 -0.025494 -0.031568 -0.004475 -0.011703 0.009353 10H 1py -0.009194 0.004148 0.007164 0.007920 -0.012247 0.015271 11H 1s 0.031191 -0.002514 -0.013065 -0.004578 0.028117 -0.019009 11H 2s 0.091652 0.019674 -0.039890 -0.023653 0.052305 -0.036411 11H 3s -0.010481 0.040187 0.023893 0.032619 -0.034658 0.013501 11H 1pz 0.018649 0.013936 -0.004847 -0.006306 0.004588 0.000360 11H 1px 0.027873 -0.002659 -0.013390 -0.007886 0.014009 -0.008463 11H 1py -0.011506 -0.005961 -0.000195 0.001538 -0.031054 0.025510 12H 1s -0.003430 -0.028290 -0.003562 -0.006302 -0.037856 0.046866 12H 2s -0.019722 -0.028655 0.006890 -0.044706 -0.056306 0.062178 12H 3s 0.014679 0.017635 0.020160 0.030019 0.043528 -0.058434 12H 1pz 0.001115 0.000947 0.001133 -0.004251 0.039621 -0.040378 12H 1px 0.008785 -0.014769 -0.008901 -0.008599 -0.010856 0.013814 12H 1py -0.012531 -0.009996 0.007904 -0.015488 -0.017741 0.022376 13H 1s 0.033503 0.001097 0.019394 -0.001345 0.014718 0.009482 13H 2s 0.148995 -0.066057 0.092343 0.048284 0.007674 0.004938 13H 3s -0.075997 0.010514 0.013609 -0.006811 -0.018776 -0.027202 13H 1pz 0.040545 -0.012097 0.021062 0.009296 -0.006522 -0.006551 13H 1px -0.029292 0.011619 -0.022437 -0.004224 -0.019356 -0.018289 13H 1py -0.008386 0.004622 -0.002650 -0.011533 0.006465 0.005858 14H 1s 0.011537 0.022814 -0.011221 -0.007623 -0.041891 -0.034066 14H 2s 0.076735 -0.000152 0.027439 -0.052217 -0.057074 -0.050490 14H 3s -0.033377 -0.012194 0.028773 0.030534 0.049167 0.048171 14H 1pz 0.031119 -0.001464 0.014193 -0.010119 -0.004448 -0.003631 14H 1px 0.012672 0.008998 -0.001636 -0.015915 -0.026589 -0.021250 14H 1py 0.006806 -0.001028 -0.002897 0.004297 -0.038509 -0.038403 15H 1s -0.047774 0.001745 -0.018265 0.001163 0.021678 0.030185 15H 2s -0.139117 -0.011854 -0.042943 -0.014008 0.046514 0.061776 15H 3s 0.017722 -0.050933 0.042111 0.011285 -0.024657 -0.031950 15H 1pz 0.034110 0.002844 0.008749 -0.001343 -0.025565 -0.031270 15H 1px -0.016185 0.004148 -0.009029 -0.004221 -0.005995 -0.005289 15H 1py 0.032229 0.007614 0.009257 0.005940 -0.007595 -0.012430 16H 1s -0.005731 0.000305 -0.016439 -0.039953 -0.000433 0.003490 16H 2s -0.063445 -0.003064 0.136442 0.302242 0.003782 -0.032387 16H 3s 0.013033 -0.008090 -0.016422 -0.008721 -0.000787 -0.007937 16H 1pz -0.033392 -0.001416 0.047236 0.102711 0.000650 -0.008102 16H 1px -0.023749 -0.004811 0.028068 0.041651 0.000607 0.016829 16H 1py 0.013545 0.000235 -0.036649 -0.070948 0.000075 0.010591 17H 1s 0.005598 -0.007466 -0.021853 -0.050750 -0.000261 0.000058 17H 2s -0.077443 0.007451 0.137209 0.290507 0.001858 0.012032 17H 3s -0.010725 0.006014 -0.016154 -0.008936 -0.001799 0.007939 17H 1pz 0.042634 0.007038 -0.063998 -0.123270 -0.000132 0.006670 17H 1px 0.001362 -0.005309 -0.002731 -0.016610 0.000700 -0.016661 17H 1py 0.010575 -0.004157 -0.029177 -0.056045 0.000204 -0.010959 18H 1s 0.005157 -0.007446 -0.021840 0.050774 0.000327 -0.000052 18H 2s -0.076498 0.006750 0.137536 -0.291376 -0.002638 0.013710 18H 3s -0.010497 0.005773 -0.016052 0.008862 0.001677 0.007674 18H 1pz -0.042407 -0.007206 0.063407 -0.122281 -0.000244 -0.005913 18H 1px -0.000982 0.005142 0.002318 -0.015743 0.000402 0.016795 18H 1py -0.011289 0.003974 0.030577 -0.058656 -0.000078 0.011724 19H 1s -0.005887 0.000791 -0.016384 0.039830 0.000472 0.003202 19H 2s -0.062003 -0.003859 0.135693 -0.301322 -0.003862 -0.030330 19H 3s 0.013073 -0.007919 -0.016507 0.008633 0.001037 -0.008024 19H 1pz 0.033421 0.001476 -0.047951 0.104151 0.000656 0.007450 19H 1px 0.023912 0.004675 -0.028304 0.041769 0.000884 -0.017049 19H 1py -0.012568 -0.000420 0.035459 -0.068480 0.000026 -0.009500 20H 1s -0.047428 0.001388 -0.018033 -0.001027 -0.022370 0.030615 20H 2s -0.137175 -0.012523 -0.042072 0.015118 -0.047685 0.062203 20H 3s 0.017352 -0.049703 0.042296 -0.011573 0.025358 -0.032586 20H 1pz -0.033633 -0.003076 -0.008501 -0.001006 -0.026426 0.031777 20H 1px 0.016653 -0.004196 0.009178 -0.004153 -0.005796 0.004910 20H 1py -0.031524 -0.007910 -0.009054 0.006201 -0.007658 0.012359 21H 1s 0.010925 0.023104 -0.011598 0.007134 0.041994 -0.033587 21H 2s 0.074728 0.001763 0.025808 0.051796 0.057481 -0.050127 21H 3s -0.032416 -0.012055 0.029283 -0.029787 -0.049386 0.047376 21H 1pz -0.030903 0.001104 -0.013817 -0.010227 -0.004866 0.003964 21H 1px -0.011880 -0.009542 0.002143 -0.015576 -0.026501 0.020799 21H 1py -0.006716 0.000935 0.003023 0.004628 -0.038814 0.038009 22H 1s 0.033626 0.000669 0.019285 0.001440 -0.014162 0.008827 22H 2s 0.150254 -0.066669 0.091876 -0.047190 -0.007228 0.004663 22H 3s -0.076192 0.011241 0.013753 0.006073 0.018276 -0.026443 22H 1pz -0.040448 0.012133 -0.020644 0.009207 -0.006746 0.006578 22H 1px 0.029811 -0.011865 0.022450 -0.003809 -0.018917 0.017595 22H 1py 0.008931 -0.004962 0.002853 -0.011657 0.006142 -0.005315 23H 1s -0.002671 -0.028985 -0.004176 0.006614 0.037057 0.047215 23H 2s -0.017680 -0.032989 0.004490 0.044691 0.055841 0.063542 23H 3s 0.012583 0.017456 0.020628 -0.030364 -0.042502 -0.058952 23H 1pz -0.000849 -0.001435 -0.001332 -0.004084 0.038827 0.040798 23H 1px -0.009213 0.014973 0.009177 -0.008649 -0.010099 -0.013273 23H 1py 0.011851 0.011532 -0.007053 -0.015660 -0.017779 -0.023095 24H 1s 0.030631 -0.001407 -0.012293 0.004907 -0.028402 -0.019910 24H 2s 0.088418 0.022911 -0.037244 0.025753 -0.052382 -0.038005 24H 3s -0.009973 0.037534 0.023609 -0.033133 0.034979 0.014904 24H 1pz -0.017669 -0.014819 0.004159 -0.006845 0.004285 -0.000503 24H 1px -0.027602 0.001884 0.012936 -0.008512 0.014682 0.009387 24H 1py 0.010438 0.006506 0.001023 0.001489 -0.031067 -0.026401 25H 1s -0.021092 0.011501 0.023031 0.002968 -0.012121 -0.015556 25H 2s -0.092641 0.100621 0.107934 -0.052554 -0.012024 0.004223 25H 3s 0.060676 -0.022982 -0.004772 0.029637 0.015839 0.001045 25H 1pz 0.013272 -0.015594 -0.016166 0.014203 0.001559 -0.004086 25H 1px -0.026284 0.025193 0.031607 -0.004596 -0.010469 -0.008340 25H 1py 0.008713 -0.003399 -0.006624 0.007900 -0.011799 -0.015255 26O 1s -0.000893 0.000209 0.000638 0.000804 0.000213 -0.000481 26O 2s -0.003496 0.000567 0.000962 0.003259 0.000779 -0.002438 26O 3s 0.046538 -0.001165 0.018438 -0.051331 -0.008121 0.041986 26O 4s -0.164094 -0.005206 -0.178530 0.208995 0.018697 -0.147587 26O 5s 0.601533 -0.384057 0.064641 0.018723 0.020585 -0.185252 26O 1pz -0.007450 0.002948 -0.018300 -0.010352 0.000286 -0.001735 26O 1px -0.001474 -0.002646 -0.004465 -0.001093 0.002134 -0.005570 26O 1py -0.005004 0.001871 -0.011684 -0.005445 0.002804 -0.006447 26O 2pz 0.002178 0.014016 0.070670 0.042243 -0.018841 0.029841 26O 2px 0.006669 0.050619 0.106182 -0.063103 -0.018577 0.096780 26O 2py -0.002061 0.016005 0.087714 -0.010165 0.017201 0.023659 26O 3pz 0.173917 -0.096420 0.041496 -0.048708 0.015344 0.002830 26O 3px -0.036543 0.058453 -0.007223 -0.042339 -0.005247 0.141254 26O 3py 0.119278 0.024891 0.033186 0.003440 -0.027498 0.123453 26O 1dz2 0.003896 -0.034451 -0.015087 -0.011426 -0.025240 0.015245 26O 1dxz 0.003821 -0.018508 -0.004586 0.001242 -0.029230 0.031244 26O 1dyz 0.026980 -0.007512 -0.015961 -0.010345 0.005933 -0.010708 26O 1dx2y2 -0.017433 -0.009643 0.004221 -0.007844 -0.040206 0.033901 26O 1dxy 0.003837 0.002102 0.005616 -0.006986 0.024114 -0.018415 26O 2dz2 0.009586 0.000094 0.029174 -0.007637 -0.001780 0.014850 26O 2dxz 0.001557 -0.007290 -0.005244 -0.000487 0.015226 -0.016250 26O 2dyz 0.012369 -0.003172 0.010159 0.004776 0.005824 -0.011424 26O 2dx2y2 -0.012896 -0.010976 -0.022580 0.004015 0.017890 -0.037219 26O 2dxy -0.004060 -0.010752 -0.028245 0.013557 -0.016065 -0.006960 26O 1f0 -0.133770 -0.224340 0.033322 -0.007423 0.077537 -0.051936 26O 1f+1 -0.111181 0.071603 0.156859 0.044502 0.201586 -0.164465 26O 1f-1 0.213458 -0.178591 -0.250860 -0.089183 0.079602 -0.085581 26O 1f+2 -0.063124 -0.105257 0.026238 -0.039727 0.167626 -0.175397 26O 1f-2 -0.079934 -0.064056 0.029661 0.018232 -0.069276 0.089066 26O 1f+3 0.034701 -0.070821 -0.070006 -0.027377 -0.114335 0.092829 26O 1f-3 -0.004436 0.053834 0.023097 0.013011 -0.132054 0.128120 27O 1s 0.000160 -0.000484 0.000235 0.000257 -0.000079 -0.000360 27O 2s 0.000155 -0.001861 0.000200 0.001603 -0.000228 -0.001760 27O 3s 0.011343 0.025615 0.013056 -0.030981 0.000009 0.026976 27O 4s -0.059279 -0.096144 -0.131639 0.111151 0.003209 -0.097784 27O 5s -0.745929 0.352989 0.289964 0.280761 0.010423 -0.000700 27O 1pz 0.002578 -0.005638 -0.006739 -0.006008 0.002166 0.003465 27O 1px -0.007446 -0.004717 -0.000066 0.007572 -0.000883 -0.000141 27O 1py -0.002562 0.004610 0.014038 0.008596 0.000726 0.002367 27O 2pz 0.007804 0.012361 0.026513 0.027298 0.018551 0.012501 27O 2px 0.128020 0.015205 0.042335 -0.097164 0.001330 0.042911 27O 2py -0.041201 -0.000822 -0.051610 -0.021645 0.020091 0.011346 27O 3pz -0.149889 0.019302 0.096940 0.086378 -0.020624 -0.036717 27O 3px 0.135949 -0.032190 -0.003283 0.051019 -0.005891 0.091852 27O 3py 0.107860 -0.111309 -0.103594 -0.071761 -0.020456 -0.079724 27O 1dz2 -0.010019 -0.020579 0.006039 0.009959 0.020102 0.018407 27O 1dxz -0.019662 -0.010118 0.006418 0.012980 0.041717 0.041108 27O 1dyz 0.034061 0.001522 0.005147 0.004312 -0.018751 -0.011956 27O 1dx2y2 0.012810 -0.027011 0.019228 0.004664 0.026156 0.029158 27O 1dxy 0.011873 -0.015096 0.009199 -0.004236 0.022583 0.018024 27O 2dz2 0.016838 -0.003754 0.008196 -0.012030 0.004088 0.014133 27O 2dxz -0.003395 0.002291 0.001128 0.003629 -0.020368 -0.018056 27O 2dyz 0.007900 -0.005263 -0.017315 -0.011182 0.002728 0.007780 27O 2dx2y2 -0.023760 -0.015079 -0.022392 0.014034 -0.004153 -0.017491 27O 2dxy 0.023634 -0.002831 -0.002327 -0.014735 -0.015137 -0.008705 27O 1f0 0.207655 -0.194596 0.223810 0.120938 0.048407 0.062917 27O 1f+1 0.046221 0.005188 -0.005453 -0.007496 -0.213851 -0.226354 27O 1f-1 0.214939 0.225201 0.068151 0.025504 0.117375 0.105905 27O 1f+2 0.208396 -0.097173 0.174655 0.061852 -0.034101 -0.036913 27O 1f-2 -0.047993 0.064010 -0.011375 -0.031276 0.140212 0.115864 27O 1f+3 -0.017879 -0.039989 0.036750 -0.002557 0.177601 0.194820 27O 1f-3 -0.039669 -0.089986 -0.007494 -0.018763 -0.088315 -0.099286 28O 1s -0.000254 0.000313 0.000033 -0.000093 -0.000026 0.000303 28O 2s -0.001458 0.001115 -0.000474 -0.000780 -0.000044 0.001646 28O 3s 0.027127 -0.009922 0.021432 0.015639 0.000935 -0.029351 28O 4s -0.110806 0.019946 -0.156731 -0.068085 -0.002778 0.111842 28O 5s 0.530327 -0.338503 0.252145 -0.152498 0.002076 0.005109 28O 1pz -0.012569 0.000261 -0.011577 0.001390 0.001256 -0.000267 28O 1px -0.005653 -0.001795 -0.004737 0.007110 0.000028 0.000155 28O 1py -0.007166 0.004505 -0.009635 0.007460 -0.000120 0.002869 28O 2pz 0.024046 0.033773 0.074445 0.016233 0.014849 -0.045944 28O 2px 0.007590 -0.013153 -0.023562 -0.057913 0.008052 0.029492 28O 2py 0.008653 -0.005171 0.034448 -0.028020 -0.024659 0.015242 28O 3pz 0.073819 -0.064793 0.091121 -0.137608 -0.024234 -0.054254 28O 3px 0.083962 -0.096006 0.058779 0.021067 -0.014761 0.090690 28O 3py 0.117074 -0.013925 0.056999 -0.024978 0.027397 -0.078030 28O 1dz2 -0.003357 -0.038498 0.005206 -0.013419 0.044839 -0.035974 28O 1dxz 0.001663 -0.014596 -0.003277 -0.001695 0.005600 0.002749 28O 1dyz 0.029606 -0.001567 -0.019283 0.013747 -0.028899 0.029487 28O 1dx2y2 -0.016381 -0.006134 0.008800 0.002694 0.012356 -0.008449 28O 1dxy -0.006271 -0.010643 0.002101 0.007196 0.025866 -0.015918 28O 2dz2 0.000268 -0.009469 0.005699 -0.009909 -0.009255 0.011586 28O 2dxz 0.011207 0.001762 0.025281 0.003004 0.006715 -0.021946 28O 2dyz 0.008390 -0.001613 0.015145 -0.006726 0.011548 -0.005858 28O 2dx2y2 -0.010895 -0.006341 -0.011786 -0.001614 0.006140 0.007019 28O 2dxy 0.004282 -0.000589 0.006854 -0.002495 -0.017766 0.017196 28O 1f0 -0.081214 -0.052418 0.022217 -0.007784 -0.298143 0.259210 28O 1f+1 -0.075652 -0.125592 0.023640 -0.031514 -0.011489 -0.004073 28O 1f-1 0.059878 -0.207230 -0.148050 0.054571 0.042902 -0.043914 28O 1f+2 -0.132427 -0.168584 0.042558 -0.035460 -0.072521 0.066703 28O 1f-2 0.110505 -0.161885 -0.172595 0.079141 -0.070380 0.088103 28O 1f+3 0.116215 0.132721 -0.079187 0.019542 -0.153163 0.143015 28O 1f-3 -0.049787 0.165275 0.123196 -0.087515 0.068967 -0.103070 29O 1s -0.000663 -0.000021 -0.000037 -0.000647 0.000101 -0.000031 29O 2s -0.001752 -0.000008 -0.000401 -0.002359 0.000326 -0.000107 29O 3s 0.007831 -0.001319 0.008781 0.035737 -0.003244 0.000837 29O 4s -0.018163 0.006662 0.025527 -0.028989 0.009371 -0.005448 29O 5s 0.160287 -0.004999 -0.289913 -0.405477 -0.019096 0.027954 29O 1pz 0.008466 -0.000775 0.000990 0.002787 -0.000238 -0.002803 29O 1px -0.008123 -0.004756 -0.012056 -0.025209 0.000219 0.000538 29O 1py 0.005026 -0.000077 -0.010923 -0.018817 0.000105 0.000697 29O 2pz -0.029105 0.002832 0.009853 0.023451 0.001190 0.007300 29O 2px 0.032660 0.012208 0.008329 0.011097 -0.000908 0.001035 29O 2py -0.028346 -0.001543 0.047392 0.091243 -0.000204 -0.003419 29O 3pz 0.015185 -0.012450 -0.004698 0.033212 -0.001047 -0.065712 29O 3px -0.005159 -0.000639 0.030816 -0.024846 0.005812 -0.026851 29O 3py -0.060121 0.002505 0.108022 0.229689 0.003746 0.000842 29O 1dz2 -0.014326 0.001856 0.041691 0.088072 0.000186 -0.016426 29O 1dxz -0.008979 0.002143 0.035151 0.071966 -0.000058 0.024757 29O 1dyz 0.011670 -0.000439 -0.017547 -0.032227 -0.000298 0.022614 29O 1dx2y2 -0.004803 0.002574 -0.006319 -0.022303 -0.000691 0.014405 29O 1dxy -0.015016 -0.005341 0.024892 0.033760 -0.000050 0.004832 29O 2dz2 -0.002086 -0.000724 0.017368 0.023061 -0.000018 -0.001729 29O 2dxz -0.002425 0.001946 0.016626 0.019799 0.000329 0.004263 29O 2dyz 0.008023 -0.000065 -0.008157 -0.018629 -0.000323 0.006578 29O 2dx2y2 -0.006010 -0.000313 -0.007650 0.000218 -0.000373 0.002786 29O 2dxy -0.011688 -0.002852 0.007761 0.017861 -0.000066 0.001367 29O 1f0 0.028936 0.004859 -0.038972 -0.078845 -0.000470 0.017812 29O 1f+1 -0.038399 -0.001337 0.052936 0.107607 -0.002478 -0.041348 29O 1f-1 0.002288 -0.001568 -0.041268 -0.072572 -0.000776 0.006197 29O 1f+2 0.044060 0.006476 -0.122007 -0.229145 -0.001273 0.068829 29O 1f-2 0.071560 0.016579 -0.113117 -0.205154 -0.000445 -0.017848 29O 1f+3 0.145113 0.014648 -0.287492 -0.535539 0.000025 -0.028044 29O 1f-3 0.089939 0.028939 -0.077119 -0.140755 -0.000634 0.021840 30O 1s 0.000551 -0.000108 0.000524 -0.001099 0.000076 0.000338 30O 2s 0.001877 -0.000655 0.000683 -0.004374 0.000276 0.001966 30O 3s -0.016093 0.012684 0.019745 0.063935 -0.006190 -0.041063 30O 4s 0.038323 -0.056278 -0.183422 -0.249377 0.032612 0.169576 30O 5s -0.661373 0.335251 0.109627 0.025217 -0.001760 0.175181 30O 1pz 0.001667 -0.005386 -0.010865 0.004965 -0.000028 0.001592 30O 1px 0.002865 -0.005062 -0.007167 0.008920 -0.002351 -0.004440 30O 1py -0.004676 0.003789 0.018136 -0.007623 -0.000267 -0.006269 30O 2pz 0.036026 0.014207 0.078329 0.009596 -0.035155 -0.082701 30O 2px -0.032404 0.013338 -0.046584 -0.089861 0.013842 0.075609 30O 2py -0.033060 0.004756 -0.117869 -0.008877 -0.009188 0.047328 30O 3pz 0.000390 -0.006415 0.014282 0.037266 0.033090 -0.025734 30O 3px -0.194273 0.075033 0.036601 0.012410 0.003459 0.115856 30O 3py 0.025195 -0.102402 -0.025971 0.002834 0.019409 0.126218 30O 1dz2 -0.009713 -0.026827 -0.005758 -0.003496 -0.049841 -0.049498 30O 1dxz -0.015754 -0.000043 -0.006706 0.002098 0.007429 0.011936 30O 1dyz 0.033039 0.002417 0.012121 -0.017487 0.017847 0.010647 30O 1dx2y2 0.010326 -0.025701 0.005894 0.003906 -0.022959 -0.018773 30O 1dxy 0.020139 -0.003843 0.016112 -0.006557 0.016443 0.006577 30O 2dz2 0.001661 -0.007877 0.006387 0.008243 0.016179 0.010066 30O 2dxz 0.002739 0.003134 0.022775 0.005373 -0.019900 -0.040121 30O 2dyz 0.014432 -0.000600 0.004483 0.010690 -0.001511 -0.020343 30O 2dx2y2 -0.000547 -0.007847 -0.011102 0.003350 0.007227 0.016362 30O 2dxy -0.002462 -0.005117 -0.036707 -0.010359 -0.010515 0.007858 30O 1f0 0.216879 -0.015163 0.180265 -0.037189 0.149331 0.150932 30O 1f+1 0.095962 -0.165258 0.139319 -0.058867 0.017969 -0.013235 30O 1f-1 0.063845 0.192042 -0.090521 -0.005991 -0.249024 -0.235960 30O 1f+2 0.081873 -0.121411 0.094681 -0.033707 -0.084097 -0.093582 30O 1f-2 0.249752 0.059379 0.126543 -0.061450 0.004112 -0.005604 30O 1f+3 0.020050 0.158221 -0.035340 -0.013602 0.082043 0.071103 30O 1f-3 -0.178278 0.004815 -0.091805 0.071306 0.156501 0.196801 31O 1s 0.000555 -0.000100 0.000523 0.001136 -0.000082 0.000327 31O 2s 0.001900 -0.000621 0.000674 0.004506 -0.000307 0.001926 31O 3s -0.016466 0.012106 0.019847 -0.065600 0.006795 -0.040484 31O 4s 0.039244 -0.054089 -0.183509 0.255305 -0.034793 0.167224 31O 5s -0.659735 0.337528 0.108392 -0.032278 -0.001632 0.176001 31O 1pz -0.001728 0.005373 0.010930 0.005103 0.000051 -0.001714 31O 1px -0.002810 0.005173 0.006981 0.008931 -0.002386 0.004336 31O 1py 0.004641 -0.003771 -0.018030 -0.007562 -0.000339 0.006352 31O 2pz -0.035503 -0.013648 -0.078668 0.010144 -0.036150 0.082502 31O 2px 0.031914 -0.014447 0.047325 -0.090962 0.014749 -0.074748 31O 2py 0.032822 -0.005282 0.117536 -0.009154 -0.008429 -0.047518 31O 3pz -0.000998 0.007088 -0.012115 0.040284 0.031595 0.025356 31O 3px 0.193937 -0.076076 -0.036765 0.012736 0.005623 -0.115692 31O 3py -0.025656 0.101685 0.024436 -0.001273 0.021236 -0.125444 31O 1dz2 -0.009613 -0.026843 -0.005781 0.003086 0.050166 -0.048886 31O 1dxz -0.015706 -0.000030 -0.006738 -0.001994 -0.007392 0.011754 31O 1dyz 0.032899 0.002471 0.012229 0.018131 -0.017954 0.010312 31O 1dx2y2 0.010402 -0.025699 0.005860 -0.004003 0.023071 -0.018486 31O 1dxy 0.020127 -0.003809 0.015984 0.006846 -0.016361 0.006345 31O 2dz2 0.001666 -0.007958 0.006349 -0.008083 -0.016203 0.009970 31O 2dxz 0.002594 0.002873 0.022777 -0.006048 0.020334 -0.039862 31O 2dyz 0.014107 -0.000760 0.004686 -0.010578 0.001854 -0.020282 31O 2dx2y2 -0.000620 -0.007721 -0.011062 -0.002820 -0.007350 0.016234 31O 2dxy -0.002276 -0.004887 -0.036605 0.010642 0.010337 0.007905 31O 1f0 -0.216213 0.014545 -0.179692 -0.038867 0.150245 -0.148703 31O 1f+1 -0.095742 0.164762 -0.138941 -0.059738 0.017833 0.013733 31O 1f-1 -0.063315 -0.192026 0.090320 -0.002466 -0.250208 0.232804 31O 1f+2 -0.081781 0.121087 -0.094464 -0.033001 -0.084668 0.092907 31O 1f-2 -0.248868 -0.060097 -0.126126 -0.061932 0.004102 0.006092 31O 1f+3 -0.019524 -0.158479 0.035468 -0.014430 0.082429 -0.070328 31O 1f-3 0.177625 -0.004266 0.091522 0.069904 0.157805 -0.195366 32O 1s -0.000647 -0.000024 -0.000048 0.000659 -0.000105 -0.000030 32O 2s -0.001703 -0.000021 -0.000434 0.002390 -0.000339 -0.000103 32O 3s 0.007387 -0.001156 0.009047 -0.035996 0.003383 0.000817 32O 4s -0.016976 0.006039 0.025027 0.029422 -0.009897 -0.004772 32O 5s 0.157300 -0.003331 -0.289017 0.405102 0.020513 0.024077 32O 1pz -0.008266 0.000931 -0.001199 0.003117 -0.000246 0.002735 32O 1px 0.008362 0.004601 0.012028 -0.025121 0.000189 -0.000437 32O 1py -0.005135 0.000120 0.010971 -0.018925 0.000101 -0.000440 32O 2pz 0.027891 -0.003262 -0.008520 0.020869 0.001201 -0.007334 32O 2px -0.033333 -0.011975 -0.007996 0.010211 -0.000907 -0.000987 32O 2py 0.028617 0.001446 -0.047610 0.091845 -0.000184 0.002655 32O 3pz -0.016483 0.012314 0.007251 0.028252 -0.001974 0.065443 32O 3px 0.004592 0.000652 -0.029726 -0.026768 0.005727 0.026193 32O 3py 0.058797 -0.001536 -0.107949 0.230028 0.004636 -0.001953 32O 1dz2 -0.014493 0.001581 0.042507 -0.089727 -0.000114 -0.016326 32O 1dxz -0.008492 0.002030 0.034368 -0.070221 -0.000356 0.025041 32O 1dyz 0.010676 -0.000515 -0.015582 0.028600 0.000022 0.022361 32O 1dx2y2 -0.004720 0.002610 -0.006536 0.022636 0.000474 0.013866 32O 1dxy -0.015355 -0.005325 0.025586 -0.034883 0.000033 0.005322 32O 2dz2 -0.002519 -0.000855 0.017988 -0.024235 -0.000060 -0.001606 32O 2dxz -0.002119 0.002038 0.016326 -0.019198 -0.000417 0.004354 32O 2dyz 0.007567 -0.000217 -0.007369 0.017342 0.000225 0.006516 32O 2dx2y2 -0.005945 -0.000211 -0.007725 -0.000155 0.000337 0.002742 32O 2dxy -0.011993 -0.002830 0.008162 -0.018621 0.000019 0.001560 32O 1f0 -0.028331 -0.004984 0.035700 -0.073036 -0.000486 -0.015334 32O 1f+1 0.040511 0.001951 -0.056534 0.114662 -0.002617 0.038829 32O 1f-1 -0.005413 0.000593 0.048168 -0.085678 -0.000724 -0.009675 32O 1f+2 -0.044552 -0.007723 0.119766 -0.225652 -0.000659 -0.068847 32O 1f-2 -0.066358 -0.015911 0.104301 -0.188138 -0.000899 0.018434 32O 1f+3 -0.144440 -0.015229 0.289471 -0.538252 -0.001259 0.032962 32O 1f-3 -0.092871 -0.028324 0.080796 -0.147787 -0.000406 -0.018184 33O 1s -0.000262 0.000326 0.000043 0.000111 0.000025 0.000307 33O 2s -0.001492 0.001164 -0.000418 0.000881 0.000046 0.001660 33O 3s 0.027526 -0.010561 0.020400 -0.017544 -0.001100 -0.029622 33O 4s -0.111496 0.022251 -0.153552 0.075001 0.003974 0.113024 33O 5s 0.526295 -0.340065 0.260769 0.170067 -0.001035 0.004642 33O 1pz 0.012523 -0.000210 0.011450 0.001128 0.001058 0.000241 33O 1px 0.005429 0.001820 0.005022 0.007477 0.000107 -0.000144 33O 1py 0.007096 -0.004475 0.009638 0.007417 -0.000117 -0.002876 33O 2pz -0.024228 -0.033559 -0.072526 0.020092 0.015594 0.046601 33O 2px -0.006576 0.012666 0.021071 -0.062365 0.007072 -0.029878 33O 2py -0.008433 0.004973 -0.034320 -0.027382 -0.024077 -0.015302 33O 3pz -0.073165 0.064783 -0.090755 -0.135804 -0.023934 0.054701 33O 3px -0.083360 0.096041 -0.061328 0.015017 -0.014338 -0.091138 33O 3py -0.116266 0.014439 -0.057563 -0.025448 0.026144 0.078340 33O 1dz2 -0.003399 -0.038604 0.005230 0.013632 -0.044221 -0.036633 33O 1dxz 0.001781 -0.014395 -0.003344 0.001558 -0.005513 0.002771 33O 1dyz 0.029613 -0.001683 -0.019156 -0.013510 0.028353 0.029897 33O 1dx2y2 -0.016434 -0.006154 0.008903 -0.002517 -0.012278 -0.008693 33O 1dxy -0.006195 -0.010777 0.002016 -0.007252 -0.025461 -0.016091 33O 2dz2 0.000134 -0.009454 0.005996 0.010415 0.009110 0.011634 33O 2dxz 0.011426 0.001640 0.024311 -0.004740 -0.006952 -0.022286 33O 2dyz 0.008199 -0.001673 0.015454 0.007198 -0.011367 -0.005936 33O 2dx2y2 -0.010975 -0.006251 -0.011313 0.002518 -0.005878 0.007105 33O 2dxy 0.004266 -0.000537 0.006772 0.002201 0.017375 0.017313 33O 1f0 0.081521 0.052469 -0.022626 -0.007946 -0.293216 -0.262643 33O 1f+1 0.075699 0.126046 -0.023668 -0.031426 -0.010728 0.004823 33O 1f-1 -0.060890 0.208263 0.148645 0.054141 0.040442 0.042742 33O 1f+2 0.132562 0.168855 -0.043059 -0.035716 -0.071020 -0.066925 33O 1f-2 -0.111401 0.162425 0.172506 0.078034 -0.068935 -0.089113 33O 1f+3 -0.116120 -0.133442 0.079097 0.019071 -0.150688 -0.145061 33O 1f-3 0.050813 -0.165953 -0.123310 -0.086321 0.067518 0.104391 34O 1s 0.000157 -0.000489 0.000263 -0.000289 0.000083 -0.000361 34O 2s 0.000136 -0.001878 0.000321 -0.001740 0.000253 -0.001759 34O 3s 0.011686 0.025748 0.011099 0.032895 -0.000478 0.026897 34O 4s -0.060073 -0.096478 -0.125059 -0.116653 -0.001379 -0.097411 34O 5s -0.749664 0.352830 0.298620 -0.296206 -0.010920 0.001954 34O 1pz -0.002608 0.005512 0.006858 -0.006226 0.002132 -0.003360 34O 1px 0.007532 0.004726 -0.000231 0.007874 -0.000919 0.000078 34O 1py 0.002497 -0.004516 -0.014007 0.008760 0.000830 -0.002414 34O 2pz -0.007659 -0.011902 -0.027034 0.027781 0.018734 -0.012551 34O 2px -0.129003 -0.015260 -0.038118 -0.101157 0.002229 -0.042212 34O 2py 0.041714 0.000480 0.050745 -0.021771 0.019749 -0.010907 34O 3pz 0.149852 -0.019248 -0.097147 0.087704 -0.020236 0.035582 34O 3px -0.136993 0.032896 0.007314 0.044810 -0.004184 -0.091783 34O 3py -0.108359 0.110771 0.103701 -0.071153 -0.021355 0.079948 34O 1dz2 -0.009851 -0.020595 0.005867 -0.009630 -0.020269 0.018238 34O 1dxz -0.019571 -0.010144 0.006312 -0.012497 -0.041950 0.040708 34O 1dyz 0.034092 0.001458 0.005149 -0.004545 0.018764 -0.011817 34O 1dx2y2 0.012850 -0.027015 0.019184 -0.004596 -0.026445 0.028881 34O 1dxy 0.011968 -0.015068 0.009121 0.004712 -0.022632 0.017713 34O 2dz2 0.017133 -0.003791 0.007344 0.012917 -0.004338 0.014014 34O 2dxz -0.003413 0.002362 0.001040 -0.003796 0.020460 -0.017808 34O 2dyz 0.007962 -0.005228 -0.017421 0.011361 -0.002810 0.007662 34O 2dx2y2 -0.023992 -0.015011 -0.021292 -0.015234 0.004493 -0.017327 34O 2dxy 0.024023 -0.002876 -0.003071 0.015255 0.015108 -0.008570 34O 1f0 -0.208503 0.195330 -0.223597 0.120236 0.049704 -0.063332 34O 1f+1 -0.046291 -0.004903 0.005092 -0.005143 -0.214821 0.223556 34O 1f-1 -0.214198 -0.225003 -0.068034 0.023959 0.117947 -0.104356 34O 1f+2 -0.208732 0.097465 -0.174436 0.061929 -0.033813 0.036015 34O 1f-2 0.048387 -0.064517 0.011533 -0.033012 0.140428 -0.114087 34O 1f+3 0.017891 0.039818 -0.036266 -0.004977 0.178738 -0.192418 34O 1f-3 0.039582 0.089946 0.007388 -0.017665 -0.088986 0.098269 35O 1s -0.000877 0.000209 0.000624 -0.000817 -0.000208 -0.000478 35O 2s -0.003423 0.000571 0.000900 -0.003311 -0.000760 -0.002428 35O 3s 0.045356 -0.001341 0.019367 0.052086 0.007903 0.041806 35O 4s -0.160011 -0.004393 -0.181558 -0.212108 -0.018367 -0.146755 35O 5s 0.604135 -0.383883 0.062769 -0.012460 -0.018316 -0.185794 35O 1pz 0.007535 -0.003067 0.018246 -0.010444 0.000262 0.001747 35O 1px 0.001308 0.002598 0.004663 -0.001199 0.002098 0.005634 35O 1py 0.005005 -0.001828 0.011683 -0.005277 0.002699 0.006502 35O 2pz -0.002371 -0.013485 -0.070512 0.042703 -0.018332 -0.030180 35O 2px -0.004566 -0.050053 -0.107852 -0.063618 -0.018116 -0.096998 35O 2py 0.002791 -0.016027 -0.088335 -0.010762 0.017130 -0.023576 35O 3pz -0.173275 0.096721 -0.041477 -0.050665 0.014783 -0.001789 35O 3px 0.038222 -0.058273 0.006328 -0.042476 -0.004804 -0.140649 35O 3py -0.118423 -0.023964 -0.033764 0.002743 -0.026175 -0.123219 35O 1dz2 0.003938 -0.034346 -0.015024 0.011536 0.024911 0.015412 35O 1dxz 0.003823 -0.018518 -0.004553 -0.001141 0.028782 0.031624 35O 1dyz 0.026978 -0.007555 -0.015976 0.010681 -0.005643 -0.010877 35O 1dx2y2 -0.017458 -0.009682 0.004205 0.008013 0.039561 0.034318 35O 1dxy 0.003708 0.002096 0.005604 0.007197 -0.023658 -0.018681 35O 2dz2 0.009244 -0.000007 0.029392 0.007870 0.001741 0.014870 35O 2dxz 0.001668 -0.007157 -0.005346 0.000605 -0.014991 -0.016452 35O 2dyz 0.012495 -0.003163 0.010025 -0.004592 -0.005696 -0.011534 35O 2dx2y2 -0.012482 -0.010766 -0.022805 -0.004274 -0.017534 -0.037427 35O 2dxy -0.003517 -0.010691 -0.028735 -0.013651 0.015829 -0.006827 35O 1f0 0.133976 0.224438 -0.033829 -0.007250 0.076243 0.052485 35O 1f+1 0.111228 -0.070486 -0.156660 0.045548 0.198687 0.166589 35O 1f-1 -0.213571 0.177730 0.251098 -0.090725 0.078100 0.087535 35O 1f+2 0.063421 0.104915 -0.026484 -0.039344 0.164032 0.177063 35O 1f-2 0.080142 0.063939 -0.030224 0.018361 -0.066556 -0.089090 35O 1f+3 -0.034752 0.070595 0.070116 -0.027903 -0.112462 -0.093790 35O 1f-3 0.004783 -0.054051 -0.023456 0.012841 -0.129944 -0.130010 636 637 638 639 640 641 5.31536 5.38890 5.41086 5.41421 5.44339 5.45036 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s -0.000271 -0.000044 -0.000691 0.000331 -0.000182 0.000026 0Rh 2s 0.002037 0.000431 0.005162 -0.002680 0.001434 -0.000163 0Rh 3s -0.000420 -0.000012 -0.001105 0.000410 -0.000248 0.000058 0Rh 4s -0.012233 -0.002602 -0.031551 0.016331 -0.008702 0.000992 0Rh 5s 0.030346 0.007144 0.082443 -0.043674 0.022564 -0.002404 0Rh 6s -0.030224 -0.009854 -0.094991 0.055208 -0.025510 0.002357 0Rh 7s 0.095644 0.009477 0.206266 -0.061353 0.043685 -0.019325 0Rh 8s -0.033097 -0.038311 -0.072042 0.150529 0.023800 0.012373 0Rh 1pz 0.004699 -0.002533 -0.005675 0.003135 -0.017638 0.008423 0Rh 1px -0.006741 0.001283 0.015309 -0.008297 -0.006198 0.006302 0Rh 1py 0.020310 0.001343 0.002547 -0.005699 -0.000035 -0.000297 0Rh 2pz -0.019345 0.010405 0.023372 -0.012940 0.072511 -0.034511 0Rh 2px 0.027697 -0.005334 -0.063079 0.034245 0.025548 -0.025912 0Rh 2py -0.083652 -0.005500 -0.010432 0.023414 0.000159 0.001204 0Rh 3pz 0.059736 -0.031507 -0.071962 0.040247 -0.221004 0.103034 0Rh 3px -0.084513 0.017342 0.194760 -0.106524 -0.079193 0.079060 0Rh 3py 0.259340 0.016389 0.031204 -0.071275 -0.000775 -0.003365 0Rh 4pz -0.073328 0.035862 0.085651 -0.048257 0.258076 -0.114539 0Rh 4px 0.101200 -0.022798 -0.233192 0.127578 0.096248 -0.093107 0Rh 4py -0.320662 -0.018156 -0.035486 0.083705 0.001649 0.003006 0Rh 5pz 0.044859 -0.011431 -0.035847 0.016892 -0.103596 0.030961 0Rh 5px -0.061672 0.009903 0.099617 -0.043563 -0.042893 0.042041 0Rh 5py 0.186121 0.005083 0.013600 -0.034734 -0.001722 0.001223 0Rh 6pz -0.167317 -0.053219 -0.062710 0.136217 -0.350969 0.584090 0Rh 6px 0.226371 0.098380 0.130934 -0.358689 -0.200443 0.138562 0Rh 6py -0.569797 0.057287 0.170433 -0.176849 0.014796 -0.034660 0Rh 1dz2 0.001951 0.008550 -0.001559 0.003442 -0.004203 0.002882 0Rh 1dxz 0.004724 0.003718 -0.002017 0.002169 0.010239 -0.008015 0Rh 1dyz -0.001057 -0.004779 0.002831 -0.004108 0.006697 -0.005229 0Rh 1dx2y2 -0.008315 0.007068 0.001795 0.000191 0.002558 -0.002077 0Rh 1dxy -0.000198 -0.001263 -0.008382 0.008115 0.001285 -0.000700 0Rh 2dz2 -0.000081 0.002163 0.000264 0.000476 0.001266 -0.000937 0Rh 2dxz -0.000463 0.000870 0.000416 0.000271 -0.002157 0.001572 0Rh 2dyz 0.000259 -0.001051 -0.000512 0.000526 -0.000725 0.000287 0Rh 2dx2y2 0.000747 0.001692 -0.000395 0.000097 -0.000875 0.000397 0Rh 2dxy 0.000409 0.000619 0.001332 -0.001655 -0.000159 -0.000136 0Rh 3dz2 -0.008783 -0.050728 0.006097 -0.018621 0.014083 -0.009317 0Rh 3dxz -0.020124 -0.021741 0.007527 -0.011546 -0.039071 0.031101 0Rh 3dyz 0.003787 0.027632 -0.011120 0.017127 -0.028968 0.024024 0Rh 3dx2y2 0.035683 -0.041487 -0.006448 -0.001516 -0.008126 0.008136 0Rh 3dxy -0.000992 0.003121 0.033909 -0.031050 -0.005511 0.004122 0Rh 4dz2 0.016862 0.108606 -0.009773 0.038456 -0.020930 0.013093 0Rh 4dxz 0.037499 0.046396 -0.011106 0.022847 0.069334 -0.054839 0Rh 4dyz -0.006347 -0.058815 0.019777 -0.031281 0.057385 -0.049563 0Rh 4dx2y2 -0.066509 0.088635 0.008152 0.005040 0.011559 -0.014704 0Rh 4dxy 0.003813 -0.003490 -0.062772 0.054719 0.010970 -0.009977 0Rh 5dz2 -0.022766 -0.161840 0.004033 -0.054384 0.001798 0.008249 0Rh 5dxz -0.046604 -0.068991 -0.003179 -0.025651 -0.076769 0.041049 0Rh 5dyz 0.003732 0.088879 -0.017812 0.032554 -0.082058 0.075327 0Rh 5dx2y2 0.081158 -0.136063 0.011954 -0.016398 0.007015 0.011277 0Rh 5dxy -0.009190 -0.002211 0.073793 -0.056874 -0.012912 0.020275 0Rh 1f0 0.008816 0.000029 0.002553 -0.005404 0.000462 0.000510 0Rh 1f+1 -0.002537 0.000100 -0.001236 0.003017 -0.002463 0.005834 0Rh 1f-1 0.006242 0.001383 0.000948 -0.000308 -0.004457 0.001798 0Rh 1f+2 0.000941 -0.001085 -0.004668 0.004838 0.007861 -0.003377 0Rh 1f-2 0.000211 -0.001107 0.001867 -0.000105 0.000961 -0.000593 0Rh 1f+3 -0.001319 -0.003716 -0.006747 0.006827 -0.002387 0.004067 0Rh 1f-3 -0.013171 -0.000876 0.003803 0.001046 0.001552 0.000698 1Rh 1s -0.000260 0.000041 -0.000672 -0.000372 0.000185 0.000036 1Rh 2s 0.001960 -0.000402 0.005008 0.002980 -0.001458 -0.000240 1Rh 3s -0.000401 0.000006 -0.001082 -0.000475 0.000253 0.000073 1Rh 4s -0.011760 0.002425 -0.030614 -0.018164 0.008851 0.001467 1Rh 5s 0.029136 -0.006683 0.079933 0.048468 -0.022957 -0.003651 1Rh 6s -0.028913 0.009320 -0.091795 -0.060738 0.025966 0.003819 1Rh 7s 0.093842 -0.008464 0.203641 0.073144 -0.044705 -0.022616 1Rh 8s -0.034384 0.038473 -0.062986 -0.155824 -0.023094 0.013623 1Rh 1pz -0.004701 -0.002330 0.005622 0.003712 -0.017586 -0.008931 1Rh 1px 0.006818 0.001207 -0.014668 -0.009132 -0.006056 -0.006340 1Rh 1py -0.020382 0.001475 -0.002275 -0.005896 -0.000269 -0.000159 1Rh 2pz 0.019351 0.009570 -0.023151 -0.015313 0.072300 0.036599 1Rh 2px -0.028007 -0.005021 0.060436 0.037687 0.024964 0.026068 1Rh 2py 0.083946 -0.006040 0.009318 0.024223 0.001120 0.000672 1Rh 3pz -0.059730 -0.028993 0.071233 0.047495 -0.220399 -0.109421 1Rh 3px 0.085394 0.016373 -0.186583 -0.117220 -0.077396 -0.079535 1Rh 3py -0.260218 0.018017 -0.027819 -0.073701 -0.003650 -0.002375 1Rh 4pz 0.073246 0.033000 -0.084734 -0.056780 0.257463 0.122050 1Rh 4px -0.102033 -0.021633 0.223503 0.140590 0.094093 0.093653 1Rh 4py 0.321629 -0.020013 0.031512 0.086466 0.004855 0.003742 1Rh 5pz -0.044640 -0.010310 0.035747 0.020522 -0.103608 -0.034100 1Rh 5px 0.061718 0.009402 -0.096433 -0.049551 -0.041961 -0.042162 1Rh 5py -0.186331 0.005802 -0.011946 -0.035747 -0.002615 -0.003968 1Rh 6pz 0.166509 -0.056012 0.059440 0.144170 -0.340006 -0.592895 1Rh 6px -0.226980 0.096652 -0.100963 -0.361723 -0.193880 -0.143755 1Rh 6py 0.565276 0.056888 -0.161168 -0.191876 -0.001481 0.025375 1Rh 1dz2 0.001947 -0.008501 -0.001469 -0.003678 0.004176 0.003062 1Rh 1dxz 0.004631 -0.003783 -0.001682 -0.002183 -0.010086 -0.008280 1Rh 1dyz -0.001078 0.004821 0.002298 0.004041 -0.006503 -0.005304 1Rh 1dx2y2 -0.008268 -0.007058 0.001883 -0.000032 -0.002399 -0.002027 1Rh 1dxy -0.000218 0.001216 -0.007962 -0.008723 -0.001430 -0.000940 1Rh 2dz2 -0.000100 -0.002170 0.000325 -0.000441 -0.001251 -0.000974 1Rh 2dxz -0.000466 -0.000864 0.000405 -0.000269 0.002128 0.001635 1Rh 2dyz 0.000241 0.001038 -0.000475 -0.000541 0.000711 0.000288 1Rh 2dx2y2 0.000753 -0.001694 -0.000394 -0.000130 0.000848 0.000399 1Rh 2dxy 0.000410 -0.000621 0.001236 0.001746 0.000196 -0.000081 1Rh 3dz2 -0.008673 0.050527 0.005392 0.019585 -0.014027 -0.010009 1Rh 3dxz -0.019671 0.022021 0.005984 0.011595 0.038468 0.032078 1Rh 3dyz 0.003982 -0.027771 -0.008734 -0.016724 0.028101 0.024385 1Rh 3dx2y2 0.035432 0.041452 -0.006882 0.000936 0.007485 0.007881 1Rh 3dxy -0.000898 -0.002887 0.032357 0.033541 0.006029 0.005020 1Rh 4dz2 0.016508 -0.108231 -0.008232 -0.040206 0.020920 0.014283 1Rh 4dxz 0.036571 -0.046917 -0.008164 -0.022809 -0.068275 -0.056555 1Rh 4dyz -0.006873 0.059042 0.015035 0.030246 -0.055633 -0.050325 1Rh 4dx2y2 -0.065940 -0.088588 0.009088 -0.004246 -0.010369 -0.014135 1Rh 4dxy 0.003622 0.003011 -0.060182 -0.059417 -0.011795 -0.011538 1Rh 5dz2 -0.021480 0.161386 0.002192 0.056452 -0.002281 0.007403 1Rh 5dxz -0.045010 0.069579 -0.006773 0.024659 0.076060 0.043045 1Rh 5dyz 0.005271 -0.089083 -0.010494 -0.029469 0.079620 0.076608 1Rh 5dx2y2 0.079717 0.136081 0.010447 0.017146 -0.008282 0.009901 1Rh 5dxy -0.008846 0.002883 0.072075 0.062980 0.013050 0.021670 1Rh 1f0 -0.008860 0.000008 -0.002254 -0.005564 0.000468 -0.000567 1Rh 1f+1 0.002578 0.000022 0.001172 0.003208 -0.002365 -0.005938 1Rh 1f-1 -0.006294 0.001257 -0.000939 -0.000439 -0.004468 -0.002042 1Rh 1f+2 -0.000928 -0.000939 0.004158 0.005064 0.007723 0.003517 1Rh 1f-2 -0.000230 -0.001146 -0.001794 -0.000186 0.000842 0.000499 1Rh 1f+3 0.001383 -0.003725 0.006389 0.007279 -0.002277 -0.004082 1Rh 1f-3 0.013189 -0.000937 -0.003948 0.000764 0.001433 -0.000734 2C 1s -0.000511 -0.000250 0.000006 -0.000241 -0.001376 -0.000322 2C 2s -0.000387 -0.000247 -0.000101 -0.000432 -0.002026 0.000086 2C 3s -0.020776 -0.013518 0.019369 0.012132 0.005820 -0.037885 2C 4s 0.102410 0.078385 -0.125825 -0.056979 0.020672 0.157944 2C 5s 0.020455 -0.031383 0.157996 0.123971 0.016212 -0.206861 2C 1pz -0.000528 -0.000380 0.001678 0.004124 0.007944 -0.001520 2C 1px -0.002175 -0.000223 0.000022 0.000018 0.001236 -0.005471 2C 1py -0.001109 -0.001917 0.001610 0.000593 0.005482 -0.003260 2C 2pz -0.025284 -0.016840 -0.075321 -0.055666 0.011854 0.034683 2C 2px 0.011916 0.018742 -0.012358 -0.020619 0.003865 0.038727 2C 2py 0.082956 0.115337 -0.060008 0.000828 -0.002151 0.046840 2C 3pz 0.051272 0.043688 0.029354 0.037589 -0.011191 -0.015003 2C 3px 0.017884 -0.026092 0.011262 0.015668 0.017583 -0.013223 2C 3py -0.037438 -0.065555 0.035554 -0.001379 -0.002235 -0.039749 2C 1dz2 0.000283 0.003008 0.000886 0.000658 0.014661 0.002658 2C 1dxz 0.012876 0.011017 -0.005041 -0.003315 0.003898 0.001009 2C 1dyz 0.001884 0.003912 -0.003398 0.002749 0.012599 0.003926 2C 1dx2y2 0.005132 0.007590 0.001838 0.001382 -0.000430 0.000374 2C 1dxy -0.004839 -0.008689 -0.002208 -0.005227 0.002342 -0.001313 2C 2dz2 0.046573 0.060159 -0.015968 -0.000577 0.006969 0.011688 2C 2dxz 0.045418 0.019058 -0.014185 0.000923 0.017638 0.006062 2C 2dyz -0.023914 -0.003823 -0.019511 -0.021011 -0.006596 0.018989 2C 2dx2y2 0.026636 0.030988 0.011544 0.002907 -0.000484 0.011090 2C 2dxy -0.014041 -0.036312 -0.011545 -0.013404 -0.003355 0.009740 2C 1f0 0.036053 0.045258 0.004028 0.010138 0.013458 0.006607 2C 1f+1 -0.027579 -0.032138 0.003921 -0.011253 0.012982 -0.000815 2C 1f-1 -0.024836 -0.023253 0.001102 -0.005351 0.012875 0.001426 2C 1f+2 -0.017358 -0.018800 0.000663 -0.008819 -0.004701 -0.013724 2C 1f-2 0.060749 0.037718 -0.009175 0.005134 0.004848 0.021020 2C 1f+3 0.058024 0.052660 -0.008267 0.007569 0.000302 0.005004 2C 1f-3 -0.000025 0.008237 0.001400 0.004906 -0.000582 -0.002088 3C 1s 0.000001 -0.000039 0.000207 0.000074 -0.001009 0.000036 3C 2s -0.000003 -0.000048 0.000023 0.000467 -0.001272 -0.000188 3C 3s 0.014756 0.001695 0.032379 -0.032903 -0.007184 0.020933 3C 4s -0.065707 -0.023600 -0.197492 0.169509 0.064523 -0.091215 3C 5s 0.040695 0.067015 0.164645 -0.189090 -0.092051 0.048020 3C 1pz -0.000838 0.000954 0.000607 -0.001192 0.000495 0.003938 3C 1px 0.005044 -0.000241 0.002253 -0.003331 0.004259 -0.002491 3C 1py -0.001296 0.001049 -0.003480 0.004697 -0.007484 -0.004259 3C 2pz 0.042542 -0.059015 -0.059737 0.030947 0.035685 -0.050498 3C 2px 0.003788 -0.051008 -0.042837 0.019747 -0.007299 -0.007685 3C 2py 0.049660 -0.042665 0.110458 -0.097595 -0.005039 0.052873 3C 3pz -0.007934 0.030612 0.023412 -0.008400 -0.029398 0.018164 3C 3px -0.072554 0.074723 0.018503 0.006186 0.001373 0.008795 3C 3py -0.044852 0.026593 -0.032001 0.040376 0.007995 0.008585 3C 1dz2 0.002565 -0.003228 -0.000328 0.002612 0.001683 0.001471 3C 1dxz -0.011013 0.011404 0.001776 0.001660 0.006565 -0.000516 3C 1dyz 0.000454 -0.004610 0.005603 -0.003582 -0.013691 0.001285 3C 1dx2y2 -0.005467 0.005475 0.006277 -0.000245 -0.001881 0.002618 3C 1dxy -0.003118 0.005503 -0.000499 0.004424 -0.007342 0.004582 3C 2dz2 0.003523 0.003919 0.012993 -0.007008 0.014690 0.005315 3C 2dxz -0.052300 0.043351 -0.001690 0.015629 0.012942 -0.000997 3C 2dyz 0.005147 -0.011789 0.029711 -0.036878 -0.007612 0.019882 3C 2dx2y2 -0.071416 0.061050 0.027146 0.001523 -0.002456 0.030973 3C 2dxy 0.050357 -0.024814 0.015290 -0.016150 0.005359 -0.005655 3C 1f0 -0.045652 0.043115 0.005720 0.010672 -0.001442 0.015764 3C 1f+1 0.035626 -0.031619 -0.000510 -0.004276 0.010290 -0.008714 3C 1f-1 0.022715 -0.032384 -0.003471 -0.010071 -0.010217 -0.003147 3C 1f+2 0.014945 -0.019799 0.007732 -0.013035 -0.011632 0.000601 3C 1f-2 -0.014623 0.025729 0.002273 0.002953 -0.014892 0.003356 3C 1f+3 -0.061910 0.052304 0.005565 0.009176 0.006819 0.010439 3C 1f-3 -0.026238 0.012116 0.006489 -0.000136 0.000968 0.006439 4C 1s -0.000086 0.000155 0.000481 -0.000221 0.001751 0.000483 4C 2s -0.000368 -0.000053 0.001346 -0.000006 0.003559 0.000276 4C 3s 0.027164 0.020568 -0.033628 -0.029830 -0.043243 0.090519 4C 4s -0.148328 -0.098238 0.128068 0.145207 0.117441 -0.438122 4C 5s -0.044149 -0.013012 -0.031858 -0.062168 -0.073798 -0.064740 4C 1pz -0.006212 -0.002208 0.008124 0.004747 -0.004178 -0.002206 4C 1px 0.023836 0.002550 -0.002364 -0.002820 -0.011798 0.008890 4C 1py 0.001417 -0.002790 0.003545 0.001731 -0.008729 0.001240 4C 2pz 0.076059 0.019726 -0.059272 -0.000750 0.004236 0.039093 4C 2px -0.247148 0.024308 -0.096430 -0.058361 0.148226 -0.219889 4C 2py -0.018944 0.041366 -0.068191 -0.023579 0.074176 -0.056634 4C 3pz 0.066002 -0.050225 0.114585 0.098405 0.014774 -0.169635 4C 3px -0.121718 0.010261 0.034748 0.003225 0.028813 0.082737 4C 3py 0.028925 0.007622 0.075734 0.063993 0.033668 -0.064594 4C 1dz2 -0.021634 -0.019082 -0.004457 -0.005761 -0.024928 0.002792 4C 1dxz 0.020176 0.028545 -0.012200 -0.001458 -0.011539 -0.004202 4C 1dyz 0.014483 0.019754 -0.007523 -0.000806 -0.018747 -0.006484 4C 1dx2y2 0.039247 0.033312 0.006067 0.016873 0.018185 -0.005778 4C 1dxy -0.057380 -0.050345 -0.005081 -0.009764 0.006822 -0.005390 4C 2dz2 0.026782 -0.012190 0.055794 0.019201 0.000170 0.041913 4C 2dxz -0.017962 0.021614 -0.024442 -0.033893 0.046697 -0.013080 4C 2dyz -0.008954 -0.017712 0.040407 0.036119 0.010180 -0.027774 4C 2dx2y2 0.014391 0.026584 -0.021880 0.007099 0.013417 -0.056076 4C 2dxy -0.045812 -0.025249 -0.011299 -0.019018 0.040855 -0.105658 4C 1f0 0.064765 0.052947 -0.015835 0.007360 -0.009407 0.014908 4C 1f+1 -0.067883 -0.044176 0.011996 0.000040 0.009357 0.011284 4C 1f-1 -0.018231 -0.026859 -0.000901 -0.002040 0.025142 0.016685 4C 1f+2 -0.026917 -0.035992 0.008463 0.008954 -0.030679 0.004698 4C 1f-2 0.011872 0.031866 -0.003050 0.006821 0.018752 -0.012713 4C 1f+3 0.083286 0.059610 -0.000984 0.031592 -0.005391 0.035664 4C 1f-3 0.041112 0.019140 0.010698 0.003428 0.019912 0.049502 5C 1s -0.000317 0.000471 0.000565 0.000016 0.001276 -0.000160 5C 2s -0.000495 0.000764 0.001541 -0.000491 0.002519 0.000170 5C 3s -0.006381 0.009215 -0.048574 0.035739 -0.022256 -0.075059 5C 4s 0.005527 -0.060533 0.188188 -0.154474 0.039354 0.373214 5C 5s -0.012577 -0.083811 -0.054959 0.111155 -0.028253 0.123409 5C 1pz 0.008142 0.001432 0.003243 -0.001979 -0.004378 -0.000829 5C 1px -0.026635 0.003915 0.010408 -0.005539 0.003407 0.006734 5C 1py -0.006107 -0.001429 -0.006612 0.005737 0.008317 0.000017 5C 2pz -0.073285 -0.034927 -0.087379 0.048285 0.037473 0.055186 5C 2px 0.227100 0.002168 0.004470 0.011414 -0.057408 -0.151422 5C 2py 0.064702 0.032623 0.118739 -0.085773 -0.074241 -0.040793 5C 3pz -0.019583 0.002310 0.064680 -0.061957 -0.002889 0.018190 5C 3px 0.169517 -0.026471 -0.007544 -0.053786 -0.031539 0.098052 5C 3py 0.008309 -0.029765 -0.105131 0.093170 -0.001381 -0.060938 5C 1dz2 0.025104 -0.028422 -0.002967 -0.003224 -0.007623 -0.000141 5C 1dxz -0.049650 0.048943 -0.005089 0.016168 -0.015578 -0.005418 5C 1dyz 0.006017 0.001499 0.008967 -0.004544 0.013988 -0.005897 5C 1dx2y2 0.002975 0.009102 0.011041 -0.010415 0.015442 -0.002166 5C 1dxy -0.039959 0.042049 -0.000084 0.003151 0.011888 0.001304 5C 2dz2 -0.005082 -0.008698 -0.019906 0.018540 0.029294 -0.035501 5C 2dxz -0.019082 0.062370 0.041347 -0.010298 -0.007451 -0.020063 5C 2dyz -0.011159 0.012161 -0.041865 0.036644 -0.034302 -0.061977 5C 2dx2y2 -0.017153 0.008366 -0.014318 0.026407 -0.009748 0.018569 5C 2dxy -0.014277 -0.022858 -0.058629 0.048251 0.025861 0.055524 5C 1f0 -0.047260 0.054633 0.019200 0.001666 -0.018143 -0.011275 5C 1f+1 0.034284 -0.044261 -0.010977 -0.009337 -0.009185 -0.002312 5C 1f-1 0.044703 -0.028724 0.002485 -0.003597 0.013393 -0.014870 5C 1f+2 0.035664 -0.028298 -0.005809 0.006711 -0.006027 0.005235 5C 1f-2 -0.065185 0.030860 0.001387 0.012764 -0.008855 0.045629 5C 1f+3 -0.068538 0.064140 -0.009831 0.023551 0.022011 0.016488 5C 1f-3 0.007750 0.003727 -0.011266 0.005714 -0.033437 0.014596 6C 1s -0.000306 -0.000475 0.000601 0.000046 -0.001274 -0.000140 6C 2s -0.000487 -0.000767 0.001556 0.000639 -0.002534 0.000207 6C 3s -0.004638 -0.009517 -0.043680 -0.040684 0.025193 -0.075373 6C 4s -0.003436 0.062008 0.163996 0.173858 -0.053410 0.373987 6C 5s -0.015430 0.083220 -0.052879 -0.116213 0.023917 0.122936 6C 1pz -0.008099 0.001433 -0.003226 -0.002239 -0.004431 0.000961 6C 1px 0.026644 0.003953 -0.010046 -0.006491 0.003674 -0.006833 6C 1py 0.006195 -0.001360 0.006406 0.006365 0.008372 -0.000113 6C 2pz 0.073958 -0.034638 0.085438 0.055324 0.040680 -0.056781 6C 2px -0.226737 0.000745 0.000991 0.017375 -0.065662 0.153139 6C 2py -0.066698 0.032049 -0.116624 -0.097542 -0.076736 0.041193 6C 3pz 0.020900 0.001240 -0.058885 -0.063155 -0.002455 -0.018584 6C 3px -0.169095 -0.027248 0.012287 -0.048270 -0.025193 -0.097719 6C 3py -0.011478 -0.028602 0.096236 0.095209 -0.004232 0.060725 6C 1dz2 0.025539 0.028435 -0.003088 0.003236 0.007651 0.000120 6C 1dxz -0.050060 -0.049094 -0.003944 -0.016471 0.015812 -0.005343 6C 1dyz 0.006098 -0.001418 0.008949 0.004888 -0.013800 -0.005957 6C 1dx2y2 0.002755 -0.009039 0.010316 0.010674 -0.015432 -0.001907 6C 1dxy -0.040246 -0.042182 0.000856 -0.003110 -0.012063 0.001454 6C 2dz2 -0.004941 0.007917 -0.016416 -0.019574 -0.028899 -0.036175 6C 2dxz -0.017808 -0.062006 0.042465 0.012998 0.009916 -0.020427 6C 2dyz -0.009751 -0.011871 -0.039768 -0.041694 0.037272 -0.061821 6C 2dx2y2 -0.018600 -0.007896 -0.016470 -0.030011 0.009965 0.017855 6C 2dxy -0.015518 0.022134 -0.055616 -0.051663 -0.028883 0.056151 6C 1f0 0.047480 0.054590 -0.019455 0.000049 -0.019213 0.010990 6C 1f+1 -0.035134 -0.044153 0.011001 -0.008548 -0.008763 0.001437 6C 1f-1 -0.044779 -0.028664 -0.001965 -0.003965 0.013130 0.015888 6C 1f+2 -0.035761 -0.028263 0.005218 0.006631 -0.005435 -0.004781 6C 1f-2 0.065865 0.030928 -0.002106 0.012503 -0.007187 -0.045388 6C 1f+3 0.068766 0.064224 0.006854 0.024744 0.022335 -0.016564 6C 1f-3 -0.007487 0.003632 0.011614 0.006152 -0.033012 -0.015269 7C 1s -0.000089 -0.000152 0.000478 0.000219 -0.001771 0.000403 7C 2s -0.000388 0.000057 0.001358 0.000034 -0.003576 0.000126 7C 3s 0.029116 -0.020514 -0.034130 0.028416 0.040583 0.091156 7C 4s -0.157451 0.097734 0.129777 -0.138201 -0.103984 -0.436921 7C 5s -0.042290 0.011917 -0.040265 0.067171 0.075010 -0.061627 7C 1pz 0.006169 -0.002359 -0.008794 0.004812 -0.004165 0.001950 7C 1px -0.023834 0.002995 0.002878 -0.002647 -0.011778 -0.009331 7C 1py -0.001359 -0.002771 -0.003774 0.001827 -0.008800 -0.001559 7C 2pz -0.074528 0.020523 0.067332 -0.007526 0.004214 -0.038793 7C 2px 0.244779 0.023413 0.089483 -0.051736 0.145947 0.225023 7C 2py 0.018101 0.042065 0.070703 -0.025062 0.073685 0.058444 7C 3pz -0.064732 -0.049348 -0.119445 0.086572 0.009816 0.167824 7C 3px 0.122881 0.007547 -0.036329 0.000219 0.028019 -0.081681 7C 3py -0.028943 0.007397 -0.080873 0.057253 0.030997 0.064401 7C 1dz2 -0.021752 0.019127 -0.005325 0.005402 0.024877 0.003675 7C 1dxz 0.020696 -0.028810 -0.011649 0.000284 0.011618 -0.003723 7C 1dyz 0.014626 -0.019799 -0.007745 0.000251 0.019062 -0.005533 7C 1dx2y2 0.039275 -0.033420 0.007324 -0.016148 -0.018170 -0.006495 7C 1dxy -0.057817 0.050319 -0.005652 0.009543 -0.006710 -0.005643 7C 2dz2 0.026467 0.012908 0.056598 -0.017497 -0.000973 0.042161 7C 2dxz -0.015520 -0.023114 -0.021424 0.028348 -0.047153 -0.014461 7C 2dyz -0.010051 0.018232 0.043677 -0.036487 -0.009500 -0.028325 7C 2dx2y2 0.014064 -0.027073 -0.023114 -0.005722 -0.011919 -0.055022 7C 2dxy -0.045061 0.023745 -0.011074 0.017487 -0.037962 -0.106635 7C 1f0 -0.065074 0.053191 0.014816 0.008371 -0.008741 -0.014359 7C 1f+1 0.068291 -0.044833 -0.012105 -0.000949 0.009548 -0.010106 7C 1f-1 0.018325 -0.026487 0.001581 -0.002767 0.024943 -0.015543 7C 1f+2 0.027598 -0.035896 -0.007941 0.008633 -0.031462 -0.005889 7C 1f-2 -0.011899 0.031102 0.002041 0.006501 0.019152 0.013357 7C 1f+3 -0.083496 0.059675 -0.000605 0.031843 -0.004702 -0.035712 7C 1f-3 -0.041381 0.019464 -0.010972 0.003254 0.020783 -0.049012 8C 1s 0.000003 0.000039 0.000204 -0.000035 0.001011 0.000023 8C 2s 0.000000 0.000046 0.000051 -0.000446 0.001281 -0.000207 8C 3s 0.014719 -0.001480 0.029919 0.036498 0.006515 0.020873 8C 4s -0.066017 0.022684 -0.186601 -0.191359 -0.061773 -0.090540 8C 5s 0.039050 -0.064825 0.148842 0.196676 0.089241 0.048647 8C 1pz 0.000819 0.000967 -0.000537 -0.001273 0.000618 -0.004015 8C 1px -0.004956 -0.000227 -0.001943 -0.003659 0.004184 0.002475 8C 1py 0.001244 0.001087 0.003219 0.004997 -0.007611 0.004223 8C 2pz -0.043685 -0.060744 0.058504 0.037152 0.034403 0.051378 8C 2px -0.004382 -0.050388 0.041501 0.025394 -0.007633 0.007926 8C 2py -0.049978 -0.043745 -0.105178 -0.109294 -0.003071 -0.052143 8C 3pz 0.009552 0.031744 -0.021932 -0.009406 -0.028510 -0.018794 8C 3px 0.072314 0.073671 -0.019475 0.004811 0.000993 -0.008674 8C 3py 0.044965 0.027421 0.028742 0.041248 0.007586 -0.008895 8C 1dz2 0.002488 0.003149 -0.000120 -0.002583 -0.001768 0.001204 8C 1dxz -0.011209 -0.011522 0.001840 -0.001682 -0.006485 -0.000558 8C 1dyz 0.000461 0.004677 0.005184 0.004324 0.013632 0.001408 8C 1dx2y2 -0.005611 -0.005552 0.006121 0.000869 0.001795 0.002413 8C 1dxy -0.003196 -0.005576 -0.000102 -0.004290 0.007210 0.004544 8C 2dz2 0.002342 -0.004591 0.012719 0.008106 -0.014940 0.004978 8C 2dxz -0.053033 -0.043833 -0.000802 -0.016538 -0.012778 -0.001067 8C 2dyz 0.005746 0.012818 0.027421 0.039937 0.006901 0.020098 8C 2dx2y2 -0.071767 -0.061215 0.027947 0.001034 0.001936 0.030678 8C 2dxy 0.049180 0.023574 0.014149 0.018269 -0.005493 -0.005602 8C 1f0 0.046100 0.043228 -0.006527 0.010241 -0.001187 -0.015750 8C 1f+1 -0.035898 -0.031590 0.000859 -0.004346 0.010194 0.009125 8C 1f-1 -0.023072 -0.032530 0.004269 -0.009787 -0.010169 0.002621 8C 1f+2 -0.015207 -0.019909 -0.006507 -0.013866 -0.011516 -0.000541 8C 1f-2 0.014736 0.025704 -0.002428 0.002276 -0.015109 -0.003478 8C 1f+3 0.062226 0.052392 -0.006371 0.009267 0.006771 -0.010761 8C 1f-3 0.026470 0.012237 -0.006529 -0.000586 0.001125 -0.006187 9C 1s -0.000510 0.000249 -0.000005 0.000213 0.001383 -0.000264 9C 2s -0.000376 0.000244 -0.000124 0.000402 0.002019 0.000171 9C 3s -0.021542 0.013667 0.020493 -0.012735 -0.004730 -0.037973 9C 4s 0.105613 -0.079202 -0.132661 0.061466 -0.025197 0.156435 9C 5s 0.017624 0.031878 0.166878 -0.116135 -0.008401 -0.204625 9C 1pz 0.000655 -0.000354 -0.001945 0.004089 0.007816 0.001845 9C 1px 0.002211 -0.000250 -0.000055 -0.000120 0.001251 0.005575 9C 1py 0.001131 -0.001976 -0.001690 0.000563 0.005529 0.003491 9C 2pz 0.024350 -0.017313 0.080946 -0.058171 0.013678 -0.033392 9C 2px -0.010084 0.016232 0.013801 -0.020979 0.004141 -0.038410 9C 2py -0.084550 0.117276 0.060974 0.000039 -0.000849 -0.046986 9C 3pz -0.051091 0.043482 -0.032293 0.035549 -0.012089 0.014091 9C 3px -0.020483 -0.022507 -0.011854 0.016036 0.017653 0.012799 9C 3py 0.038369 -0.066108 -0.034910 -0.003748 -0.003279 0.039087 9C 1dz2 0.000350 -0.003036 0.000900 -0.000288 -0.014685 0.002226 9C 1dxz 0.013009 -0.011241 -0.005088 0.003146 -0.003909 0.000839 9C 1dyz 0.002038 -0.003975 -0.003254 -0.002414 -0.012890 0.003233 9C 1dx2y2 0.005326 -0.007794 0.002024 -0.001477 0.000493 0.000593 9C 1dxy -0.005000 0.008636 -0.002511 0.005244 -0.002300 -0.001501 9C 2dz2 0.047084 -0.059648 -0.015676 0.001286 -0.008028 0.011700 9C 2dxz 0.047765 -0.021985 -0.014237 -0.002162 -0.017318 0.006012 9C 2dyz -0.023379 0.003414 -0.021833 0.022047 0.005849 0.018778 9C 2dx2y2 0.028567 -0.032743 0.012330 -0.003808 0.000203 0.011799 9C 2dxy -0.012927 0.034882 -0.012710 0.012501 0.003318 0.010025 9C 1f0 -0.037005 0.045489 -0.004991 0.009835 0.013872 -0.006655 9C 1f+1 0.028442 -0.032306 -0.003118 -0.011775 0.012635 0.001366 9C 1f-1 0.024746 -0.023135 -0.000611 -0.006095 0.013021 -0.000774 9C 1f+2 0.017815 -0.018751 -0.000189 -0.008458 -0.005354 0.013497 9C 1f-2 -0.060461 0.037649 0.008644 0.005599 0.005241 -0.020709 9C 1f+3 -0.058809 0.053061 0.007470 0.008243 0.000753 -0.005247 9C 1f-3 -0.000208 0.008416 -0.001644 0.004645 -0.000374 0.002437 10H 1s -0.002700 -0.010554 -0.003246 -0.006793 -0.004585 -0.010779 10H 2s -0.012360 -0.018245 -0.015941 0.008819 0.012614 -0.029425 10H 3s 0.024028 0.031678 -0.008764 -0.016625 -0.027941 0.024724 10H 1pz -0.001136 -0.001623 -0.001374 0.000909 0.001646 -0.008272 10H 1px 0.008811 0.011641 0.005586 0.003480 0.001321 0.009690 10H 1py 0.011442 0.011543 -0.000320 0.003773 0.001598 -0.003395 11H 1s -0.037009 -0.026492 0.003537 -0.007093 -0.006445 -0.010600 11H 2s -0.078141 -0.074520 0.000577 -0.024794 -0.002813 -0.002198 11H 3s 0.052956 0.051506 -0.011857 0.018205 0.006518 0.037946 11H 1pz -0.009354 -0.011012 0.000845 -0.001530 0.000426 -0.002853 11H 1px -0.021487 -0.018125 0.001794 -0.006056 -0.002559 -0.003623 11H 1py 0.037196 0.031205 -0.000914 0.008510 0.002704 0.007426 12H 1s 0.030965 0.036140 -0.000139 0.007069 -0.000228 -0.001561 12H 2s 0.039219 0.084535 -0.001199 0.011783 0.002974 0.012823 12H 3s -0.042749 -0.074286 0.004591 -0.019008 0.009314 0.004326 12H 1pz -0.038123 -0.038237 0.006463 -0.006513 0.003721 -0.005401 12H 1px 0.005901 0.014497 0.000310 0.001658 -0.001948 0.001508 12H 1py 0.012253 0.025768 0.001263 0.005995 0.001987 -0.000526 13H 1s -0.020062 0.016874 0.005710 -0.004807 -0.005994 -0.000172 13H 2s 0.008304 0.011964 0.002221 0.000228 0.013789 -0.008438 13H 3s 0.017447 -0.039852 -0.007472 0.007300 -0.003231 -0.007354 13H 1pz 0.010451 -0.003649 0.003615 -0.005279 0.001749 -0.004659 13H 1px 0.019365 -0.020570 -0.000283 -0.003101 0.003130 -0.001688 13H 1py -0.010309 0.004960 -0.004215 0.004023 -0.003014 0.004366 14H 1s 0.047287 -0.037930 -0.003020 -0.008691 -0.010381 -0.010407 14H 2s 0.059389 -0.073125 -0.007289 -0.027339 0.001581 0.000938 14H 3s -0.050861 0.065944 -0.006051 0.042021 0.004689 0.012204 14H 1pz 0.005779 -0.006665 0.000712 -0.005483 -0.000590 0.002520 14H 1px 0.028988 -0.030108 -0.001923 -0.008882 -0.004088 -0.003453 14H 1py 0.037496 -0.036443 -0.005647 -0.005563 -0.000884 -0.010652 15H 1s -0.017674 0.020670 0.003366 0.005918 -0.005385 0.002100 15H 2s -0.040017 0.062947 -0.002204 0.019179 0.000148 0.013166 15H 3s 0.028535 -0.044544 -0.011021 0.003140 0.033131 -0.024513 15H 1pz 0.023525 -0.026814 -0.000640 -0.008711 0.001753 -0.005348 15H 1px 0.005585 -0.004091 0.000032 -0.000710 -0.001509 0.000002 15H 1py 0.003800 -0.013679 -0.001918 -0.001076 -0.000128 -0.002678 16H 1s -0.014047 -0.004269 -0.018281 0.014891 -0.010189 0.014696 16H 2s 0.146906 0.010199 0.043997 -0.044267 0.060253 -0.047679 16H 3s -0.004653 -0.005911 -0.013682 0.015308 -0.021752 0.026426 16H 1pz 0.044721 0.006523 0.044656 -0.040935 -0.031336 0.035498 16H 1px 0.008939 -0.031813 -0.154056 0.137423 0.161198 -0.167165 16H 1py -0.025676 -0.019706 -0.120403 0.108333 0.100149 -0.084374 17H 1s -0.014873 -0.007018 -0.020829 0.015699 0.004339 -0.012845 17H 2s 0.141977 0.009282 0.036203 -0.038875 -0.025352 0.013499 17H 3s -0.005069 -0.005291 -0.014394 0.015253 0.020024 -0.020166 17H 1pz -0.045784 0.017934 0.052206 -0.048272 0.049100 -0.054205 17H 1px -0.018479 -0.038221 -0.154473 0.145599 -0.143331 0.155623 17H 1py -0.018090 -0.027400 -0.123071 0.112582 -0.100514 0.086108 18H 1s -0.014531 0.007332 -0.019251 -0.016018 -0.004425 -0.013563 18H 2s 0.139728 -0.010070 0.036272 0.043650 0.021536 0.011100 18H 3s -0.005149 0.005507 -0.013232 -0.016134 -0.019037 -0.020347 18H 1pz 0.044898 0.018066 -0.050731 -0.053273 0.049100 0.056836 18H 1px 0.017677 -0.037612 0.144736 0.154633 -0.140771 -0.160739 18H 1py 0.018716 -0.026801 0.114008 0.117625 -0.097929 -0.087607 19H 1s -0.013830 0.003687 -0.017738 -0.016712 0.010513 0.015644 19H 2s 0.144848 -0.009623 0.039814 0.044666 -0.060757 -0.049064 19H 3s -0.004302 0.005378 -0.012450 -0.015866 0.021045 0.026529 19H 1pz -0.044593 0.006688 -0.043815 -0.045457 -0.031379 -0.036939 19H 1px -0.008258 -0.030711 0.144297 0.146718 0.156536 0.169654 19H 1py 0.024610 -0.019052 0.114893 0.118272 0.097639 0.085499 20H 1s -0.018144 -0.021163 0.003710 -0.005675 0.005427 0.002061 20H 2s -0.040689 -0.064377 -0.000693 -0.019313 -0.000107 0.013114 20H 3s 0.029427 0.045390 -0.010010 -0.004151 -0.032583 -0.025247 20H 1pz -0.024254 -0.027555 0.001226 -0.008775 0.001789 0.005400 20H 1px -0.005508 -0.003816 0.000003 -0.000687 -0.001532 -0.000028 20H 1py -0.003739 -0.013809 0.001977 -0.000830 -0.000156 0.002542 21H 1s 0.047677 0.038050 -0.003776 0.008637 0.010495 -0.010377 21H 2s 0.060618 0.074034 -0.009074 0.026747 -0.001760 0.000290 21H 3s -0.051392 -0.066291 -0.002753 -0.042241 -0.004605 0.012492 21H 1pz -0.006328 -0.007227 -0.000343 -0.005640 -0.000542 -0.002376 21H 1px -0.029223 -0.030148 0.002533 -0.008782 -0.004077 0.003591 21H 1py -0.037855 -0.036556 0.006252 -0.005275 -0.001002 0.010737 22H 1s -0.019696 -0.016401 0.005247 0.005436 0.006067 -0.000181 22H 2s 0.008269 -0.011178 0.001648 0.000116 -0.013426 -0.008537 22H 3s 0.016974 0.038769 -0.007230 -0.007840 0.003095 -0.007297 22H 1pz -0.010569 -0.003974 -0.003045 -0.005652 0.001621 0.004697 22H 1px -0.019024 -0.020080 0.000414 -0.002932 0.003236 0.001595 22H 1py 0.009963 0.004668 0.003817 0.004400 -0.002932 -0.004324 23H 1s 0.031156 -0.035984 0.000607 -0.007185 0.000136 -0.001345 23H 2s 0.039841 -0.085566 0.000054 -0.012015 -0.003393 0.013241 23H 3s -0.042439 0.074063 0.002745 0.019861 -0.009936 0.004095 23H 1pz 0.038319 -0.038232 -0.005792 -0.006846 0.003317 0.005601 23H 1px -0.005480 0.013832 -0.000517 0.001605 -0.001860 -0.001581 23H 1py -0.012554 0.026308 -0.001819 0.006063 0.002010 0.000407 24H 1s -0.038123 0.027458 0.002960 0.007369 0.006728 -0.010734 24H 2s -0.079421 0.076281 -0.001496 0.025476 0.002635 -0.002716 24H 3s 0.054490 -0.053017 -0.010106 -0.018917 -0.007921 0.037719 24H 1pz 0.009072 -0.010947 -0.000701 -0.001455 0.000485 0.002855 24H 1px 0.022726 -0.019286 -0.001296 -0.006462 -0.002671 0.003841 24H 1py -0.037882 0.031805 0.000129 0.008829 0.002914 -0.007580 25H 1s -0.001926 0.009602 -0.003809 0.006337 0.005000 -0.010517 25H 2s -0.012115 0.017212 -0.015215 -0.009535 -0.012355 -0.030056 25H 3s 0.023251 -0.030064 -0.010025 0.017199 0.027293 0.025204 25H 1pz 0.001776 -0.002070 0.001212 0.000850 0.001619 0.008602 25H 1px -0.007851 0.010471 -0.005850 0.002897 0.001563 -0.009522 25H 1py -0.011194 0.011369 -0.000157 0.003732 0.001645 0.003384 26O 1s 0.000423 -0.000332 0.000037 -0.000017 0.000064 -0.000604 26O 2s 0.001978 -0.001138 0.000389 0.000075 0.000036 -0.001247 26O 3s -0.032917 0.010685 -0.012317 -0.005312 -0.004362 -0.012922 26O 4s 0.115450 -0.023375 0.071761 0.038331 0.049803 0.102274 26O 5s 0.084088 0.017292 -0.026850 -0.046060 -0.352807 0.417214 26O 1pz -0.000920 0.010679 0.001798 -0.000230 -0.004182 0.008283 26O 1px 0.000755 0.004744 0.003642 -0.002837 -0.012564 0.008254 26O 1py -0.005354 -0.018295 0.001549 -0.004400 -0.010118 0.009244 26O 2pz 0.020583 -0.007909 -0.013210 0.003726 0.014755 -0.045921 26O 2px -0.038657 -0.002667 -0.041127 -0.001999 0.057146 -0.143690 26O 2py -0.031466 0.019105 -0.016142 -0.005423 0.048126 -0.091147 26O 3pz -0.107881 -0.021218 0.004581 -0.033406 -0.058581 0.070523 26O 3px -0.200318 -0.028545 0.014676 0.018990 0.063787 -0.045598 26O 3py -0.054731 0.027726 -0.020180 0.034996 -0.070431 0.093195 26O 1dz2 0.026387 -0.011710 -0.004570 -0.012556 0.011117 0.004298 26O 1dxz 0.017509 0.012934 -0.003458 0.003989 0.000723 0.000183 26O 1dyz -0.001287 0.015202 -0.005917 0.003700 -0.022837 0.008652 26O 1dx2y2 0.037441 0.017372 0.003954 -0.004859 0.000035 -0.001105 26O 1dxy -0.024364 -0.030963 -0.001310 -0.008435 -0.009198 0.000100 26O 2dz2 -0.008487 -0.004088 -0.005604 -0.002113 0.010273 -0.025065 26O 2dxz -0.015989 -0.015916 0.007028 0.001604 0.004508 0.009744 26O 2dyz 0.001124 -0.003976 -0.000402 0.002753 -0.001045 0.005705 26O 2dx2y2 -0.001467 -0.013733 0.007700 -0.007920 -0.008050 0.025861 26O 2dxy 0.031835 0.012069 0.004816 0.008336 -0.013664 0.036532 26O 1f0 -0.070704 -0.127094 0.003519 -0.030478 0.003509 -0.021904 26O 1f+1 -0.217806 -0.178928 0.024350 -0.024876 0.025364 -0.041807 26O 1f-1 -0.091588 -0.073328 0.017206 -0.013576 0.004572 -0.025102 26O 1f+2 -0.136017 -0.185787 0.007839 -0.044002 -0.015758 0.013918 26O 1f-2 0.068738 0.029972 0.009767 0.006729 0.047869 -0.011685 26O 1f+3 0.118923 0.106916 -0.003173 0.025767 0.003281 0.026257 26O 1f-3 0.135731 0.112320 -0.011353 0.020476 0.015486 0.026234 27O 1s -0.000154 -0.000171 -0.000047 -0.000181 -0.000099 -0.000561 27O 2s -0.001124 -0.000498 -0.000240 -0.000518 -0.000233 -0.001642 27O 3s 0.024511 0.002098 0.005645 0.003810 -0.007694 0.014044 27O 4s -0.098302 0.003170 -0.011442 -0.022953 0.083747 -0.032171 27O 5s 0.000037 0.003679 -0.095773 0.132280 -0.135205 0.038413 27O 1pz -0.004449 0.016934 -0.005326 0.008852 0.002624 0.000635 27O 1px 0.001533 0.001861 -0.002436 0.004587 -0.006322 -0.001169 27O 1py 0.001734 0.010518 0.003564 0.001362 0.003105 -0.002750 27O 2pz -0.016744 -0.016101 0.015138 -0.020311 -0.011616 0.000910 27O 2px 0.038726 -0.001708 0.036126 -0.034185 -0.006893 -0.012847 27O 2py -0.033188 -0.004855 -0.020942 0.009556 -0.012743 0.018413 27O 3pz 0.093181 -0.054468 -0.040512 0.038537 -0.001172 -0.005375 27O 3px 0.129600 -0.038434 -0.056659 0.071381 -0.059597 0.128211 27O 3py -0.032234 -0.010192 0.058117 -0.070639 0.124244 -0.150815 27O 1dz2 -0.012532 -0.018394 0.011176 -0.010315 0.025517 -0.001630 27O 1dxz -0.031289 0.024982 -0.005780 0.010657 -0.000028 0.006128 27O 1dyz 0.024034 0.001225 -0.001880 -0.004699 0.008576 -0.005580 27O 1dx2y2 -0.012234 -0.000203 0.001112 0.002179 0.011104 -0.004804 27O 1dxy -0.018938 0.025477 0.009731 -0.004481 0.008008 -0.007217 27O 2dz2 0.008788 -0.000819 0.007726 -0.005735 0.000629 -0.002401 27O 2dxz 0.025280 -0.018547 -0.004735 0.001174 0.002708 0.001917 27O 2dyz -0.001440 0.004452 0.000886 -0.002623 0.004760 -0.004051 27O 2dx2y2 -0.012515 -0.005912 -0.007723 0.004148 0.011501 -0.004568 27O 2dxy 0.017097 -0.010242 0.010841 -0.009760 0.006449 -0.010086 27O 1f0 0.001239 0.024944 -0.006913 0.010383 0.006651 0.006965 27O 1f+1 0.205184 -0.181616 -0.020871 -0.036674 -0.027230 -0.031656 27O 1f-1 -0.078371 0.172210 -0.005516 0.037893 -0.008722 0.015057 27O 1f+2 0.051974 -0.044659 -0.004692 -0.000211 0.012954 0.008769 27O 1f-2 -0.164129 0.140849 -0.006180 0.051746 -0.039627 0.048873 27O 1f+3 -0.149103 0.155719 0.017755 0.027762 0.031492 0.023179 27O 1f-3 0.070721 -0.090207 0.002788 -0.025810 -0.004453 -0.014466 28O 1s -0.000338 -0.000071 -0.000214 -0.000155 0.000019 0.000689 28O 2s -0.001795 -0.000188 -0.000827 -0.000745 0.000219 0.002017 28O 3s 0.029960 -0.001486 0.011023 0.013517 -0.015698 -0.017541 28O 4s -0.115579 0.008990 -0.019209 -0.036204 0.121786 0.040666 28O 5s 0.019919 0.057571 -0.128354 -0.149243 -0.177924 -0.082747 28O 1pz -0.003791 -0.009260 -0.004764 -0.008660 -0.003418 -0.001149 28O 1px -0.002375 -0.005575 -0.000010 -0.000861 0.006768 -0.000079 28O 1py -0.000450 0.014775 -0.000083 0.005908 -0.004014 -0.002772 28O 2pz 0.017664 -0.006456 0.032704 0.051933 -0.010204 0.018717 28O 2px -0.041792 0.015537 -0.020473 -0.030381 0.006647 -0.016781 28O 2py 0.030212 -0.011093 0.003660 -0.004758 0.015868 0.016165 28O 3pz 0.157568 0.050420 -0.055797 -0.068688 -0.135514 -0.159930 28O 3px -0.030518 0.024320 -0.016603 0.000842 0.040734 0.077188 28O 3py -0.023831 -0.048379 -0.016004 -0.027053 -0.117746 -0.137177 28O 1dz2 -0.037902 -0.005134 -0.001789 -0.010339 -0.003012 -0.008017 28O 1dxz -0.009244 0.012428 0.012548 0.009619 0.010099 -0.002186 28O 1dyz 0.018322 0.009926 -0.006678 -0.003067 -0.028373 -0.010058 28O 1dx2y2 -0.008996 0.017823 0.005376 0.001155 0.006119 0.004237 28O 1dxy -0.027008 -0.026446 0.003613 -0.003609 -0.004716 0.000913 28O 2dz2 0.011468 0.013275 -0.006360 -0.008547 -0.003583 -0.006981 28O 2dxz 0.011705 -0.007898 0.013004 0.015592 -0.009897 0.001254 28O 2dyz -0.013860 -0.009011 -0.004132 -0.007770 -0.013674 -0.011163 28O 2dx2y2 -0.019372 0.000467 -0.003409 -0.005447 0.008739 0.003044 28O 2dxy 0.017217 0.012564 0.002465 0.004696 0.000697 0.003483 28O 1f0 0.313342 0.304018 -0.021718 0.075143 0.003732 0.044751 28O 1f+1 0.022410 0.037089 -0.005047 0.009370 -0.004339 0.009051 28O 1f-1 -0.052113 -0.018576 0.019084 0.009558 0.050016 0.029337 28O 1f+2 0.062955 0.114335 -0.002325 0.025682 -0.009163 0.004441 28O 1f-2 0.034958 0.081416 -0.003898 0.012459 -0.023765 0.004097 28O 1f+3 0.158933 0.099967 -0.027376 0.032749 -0.019791 0.038683 28O 1f-3 -0.034522 -0.073488 0.004049 -0.014175 0.038218 0.004798 29O 1s 0.001150 0.000824 0.002142 -0.002775 -0.000109 -0.000292 29O 2s 0.003329 0.002688 0.007202 -0.009086 -0.000419 -0.000798 29O 3s -0.022956 -0.027136 -0.075308 0.092400 0.005162 0.006129 29O 4s 0.070423 0.063720 0.187883 -0.230147 -0.009580 -0.017522 29O 5s -0.326554 -0.080501 -0.242530 0.324056 -0.009805 0.057567 29O 1pz -0.001678 0.000606 0.006841 -0.004429 0.006720 -0.013110 29O 1px 0.001469 -0.003987 -0.027437 0.019356 0.001189 -0.006660 29O 1py -0.004979 -0.005310 -0.026594 0.024412 -0.000746 0.001969 29O 2pz 0.015461 -0.000140 -0.011300 0.006284 -0.019486 0.050275 29O 2px -0.026618 0.008428 0.058516 -0.037692 -0.007554 0.026871 29O 2py 0.030581 0.013056 0.070388 -0.065458 0.004805 -0.009753 29O 3pz 0.010003 -0.014829 -0.049406 0.058344 0.088878 -0.099849 29O 3px 0.027139 0.047188 0.161306 -0.184008 0.024874 -0.051321 29O 3py 0.161542 0.007008 0.035697 -0.041881 0.003488 -0.004324 29O 1dz2 0.020215 0.007289 0.028475 -0.018754 -0.056948 0.057352 29O 1dxz 0.006293 -0.001864 -0.021079 0.022849 0.107665 -0.097576 29O 1dyz -0.002630 0.000815 -0.001280 -0.002248 0.090511 -0.083254 29O 1dx2y2 0.011974 0.028603 0.089710 -0.086110 0.045286 -0.048344 29O 1dxy -0.008455 -0.009171 -0.030107 0.026953 0.023882 -0.021583 29O 2dz2 0.002949 -0.001610 0.006024 -0.005073 -0.016795 0.011892 29O 2dxz 0.000076 -0.002843 -0.013519 0.012493 0.031309 -0.025547 29O 2dyz -0.006494 0.001040 0.000522 -0.001136 0.020846 -0.029641 29O 2dx2y2 0.006952 0.009055 0.041457 -0.038236 0.011452 -0.010660 29O 2dxy 0.010577 -0.004659 -0.020176 0.016628 0.005845 -0.010281 29O 1f0 -0.045116 -0.052155 -0.297771 0.273862 0.115569 -0.077157 29O 1f+1 0.048721 0.047060 0.304547 -0.270794 -0.387477 0.406230 29O 1f-1 0.011207 0.058512 0.273327 -0.258539 0.019554 -0.038935 29O 1f+2 -0.031972 0.054680 0.148217 -0.153666 0.478637 -0.463265 29O 1f-2 -0.037044 0.067100 0.270271 -0.248599 -0.186594 0.171412 29O 1f+3 -0.130159 -0.025960 -0.236558 0.210903 -0.261016 0.246580 29O 1f-3 -0.035295 0.103532 0.386857 -0.354132 0.135486 -0.141679 30O 1s 0.000385 0.000249 -0.000299 -0.000202 0.000246 0.000564 30O 2s 0.001842 0.000945 -0.000724 -0.000745 0.000704 0.001329 30O 3s -0.026489 -0.015826 -0.000481 0.012114 -0.010779 0.004725 30O 4s 0.077897 0.068477 0.039120 -0.062072 0.052339 -0.057796 30O 5s 0.047164 0.009292 -0.005198 0.101994 -0.232865 -0.341764 30O 1pz 0.001039 -0.016711 0.003877 0.001874 -0.003849 -0.005996 30O 1px 0.001774 -0.005875 -0.000628 -0.005536 0.005781 0.002455 30O 1py 0.002629 -0.010380 -0.001867 -0.004067 0.010682 0.010097 30O 2pz 0.013734 -0.000542 -0.028955 -0.006780 0.012626 0.063981 30O 2px 0.017745 0.031450 0.019136 0.006466 -0.026005 -0.069141 30O 2py 0.019526 0.021405 0.023881 -0.003226 -0.044257 -0.090568 30O 3pz -0.176860 0.033763 0.043104 0.045930 0.008811 0.036353 30O 3px 0.085220 0.015566 -0.015823 0.035610 -0.034106 -0.054623 30O 3py 0.099105 0.046617 -0.027171 -0.010483 0.091026 0.085544 30O 1dz2 0.035257 -0.013341 -0.000136 -0.002657 0.015808 0.002536 30O 1dxz -0.002853 0.027442 -0.003443 0.008478 0.012327 -0.002225 30O 1dyz -0.014182 -0.000671 0.002033 -0.010569 0.005151 0.005428 30O 1dx2y2 0.024110 0.004658 0.003721 0.005965 0.012449 0.001110 30O 1dxy -0.020973 0.022170 0.002391 0.002294 0.000895 0.004804 30O 2dz2 -0.020728 0.015367 0.003403 0.002985 0.008206 0.007873 30O 2dxz 0.007487 -0.016012 -0.005411 -0.002141 0.003442 0.020068 30O 2dyz -0.010414 -0.005232 -0.006157 0.001154 0.001892 0.019295 30O 2dx2y2 -0.001872 0.009027 -0.003645 0.007413 -0.001352 -0.001995 30O 2dxy 0.016069 -0.004152 0.005827 -0.006254 -0.007102 -0.025837 30O 1f0 -0.127797 0.119632 0.001919 0.026757 -0.030093 0.002724 30O 1f+1 -0.029841 0.036307 -0.001365 0.004173 -0.000210 0.022068 30O 1f-1 0.221829 -0.280409 -0.013014 -0.056133 -0.005846 -0.050058 30O 1f+2 0.091995 -0.052506 -0.015498 0.001987 0.002478 -0.027347 30O 1f-2 -0.007662 -0.025868 -0.004754 -0.007105 -0.010818 0.001015 30O 1f+3 -0.104055 0.044524 -0.000449 0.008120 -0.009335 0.040866 30O 1f-3 -0.128487 0.143549 -0.004324 0.041409 -0.046414 0.016852 31O 1s 0.000399 -0.000244 -0.000295 0.000153 -0.000270 0.000556 31O 2s 0.001899 -0.000928 -0.000720 0.000598 -0.000755 0.001301 31O 3s -0.027384 0.015584 -0.000462 -0.010941 0.010422 0.005036 31O 4s 0.081303 -0.067432 0.038696 0.060428 -0.049129 -0.058320 31O 5s 0.049756 -0.010179 -0.000145 -0.097663 0.249153 -0.344545 31O 1pz -0.000986 -0.016669 -0.003827 0.001499 -0.004130 0.006056 31O 1px -0.001747 -0.005880 0.000780 -0.005504 0.005942 -0.002497 31O 1py -0.002543 -0.010407 0.002216 -0.003960 0.011204 -0.010035 31O 2pz -0.013501 -0.000606 0.029662 -0.004891 0.015990 -0.064577 31O 2px -0.018961 0.031189 -0.019585 0.005900 -0.029521 0.069426 31O 2py -0.020561 0.021390 -0.024219 -0.004590 -0.048562 0.090357 31O 3pz 0.179691 0.034492 -0.042198 0.039481 0.007232 -0.035545 31O 3px -0.086597 0.015330 0.011592 0.037211 -0.037063 0.056148 31O 3py -0.100848 0.045619 0.021925 -0.004297 0.094995 -0.084312 31O 1dz2 0.035516 0.013367 -0.000118 0.002494 -0.015876 0.002075 31O 1dxz -0.002965 -0.027544 -0.002780 -0.008544 -0.012279 -0.002598 31O 1dyz -0.014117 0.000786 0.001687 0.010193 -0.005380 0.005851 31O 1dx2y2 0.024271 -0.004637 0.004395 -0.005953 -0.012607 0.000753 31O 1dxy -0.021069 -0.022195 0.002598 -0.002221 -0.001075 0.004779 31O 2dz2 -0.021023 -0.015385 0.003762 -0.002756 -0.008435 0.007680 31O 2dxz 0.007227 0.015929 -0.005979 0.002139 -0.004505 0.020242 31O 2dyz -0.010536 0.005263 -0.005875 -0.001731 -0.002837 0.019526 31O 2dx2y2 -0.001714 -0.008924 -0.002719 -0.008050 0.001497 -0.002092 31O 2dxy 0.016619 0.004237 0.005734 0.006327 0.008268 -0.025802 31O 1f0 0.128732 0.119656 -0.004001 0.026079 -0.031060 -0.003868 31O 1f+1 0.029929 0.036376 0.000839 0.004987 0.000342 -0.022764 31O 1f-1 -0.223733 -0.280711 0.018247 -0.056010 -0.006233 0.050872 31O 1f+2 -0.092625 -0.052445 0.015954 0.002505 0.002059 0.028828 31O 1f-2 0.007373 -0.026160 0.005237 -0.006406 -0.010902 -0.001403 31O 1f+3 0.104656 0.044564 -0.000211 0.008801 -0.008397 -0.041703 31O 1f-3 0.129792 0.143834 0.001145 0.041260 -0.046985 -0.017871 32O 1s 0.001146 -0.000814 0.001950 0.002898 0.000108 -0.000289 32O 2s 0.003322 -0.002651 0.006566 0.009493 0.000427 -0.000775 32O 3s -0.023038 0.026687 -0.068698 -0.096550 -0.005507 0.005585 32O 4s 0.070376 -0.062586 0.171242 0.240268 0.010517 -0.015985 32O 5s -0.323049 0.079688 -0.220201 -0.337255 0.012148 0.058623 32O 1pz 0.001499 0.000544 -0.007211 -0.005788 0.006796 0.013846 32O 1px -0.001595 -0.003836 0.025912 0.020688 0.001178 0.006703 32O 1py 0.004889 -0.005205 0.025073 0.026172 -0.000683 -0.001966 32O 2pz -0.014033 -0.000109 0.013832 0.011099 -0.019839 -0.053195 32O 2px 0.026832 0.007998 -0.054785 -0.039701 -0.008057 -0.027797 32O 2py -0.030087 0.012891 -0.066641 -0.070378 0.005112 0.010025 32O 3pz -0.007976 -0.014510 0.046657 0.062865 0.086359 0.101301 32O 3px -0.026428 0.046291 -0.147952 -0.192783 0.023676 0.051685 32O 3py -0.160156 0.007045 -0.033334 -0.043898 0.007550 0.007118 32O 1dz2 0.020319 -0.006912 0.027491 0.020861 0.058041 0.061115 32O 1dxz 0.005340 0.001434 -0.019249 -0.024313 -0.104485 -0.099060 32O 1dyz -0.001933 -0.001275 0.001000 0.004149 -0.087936 -0.084547 32O 1dx2y2 0.011984 -0.028267 0.084382 0.091748 -0.041747 -0.047121 32O 1dxy -0.008458 0.008741 -0.027538 -0.028078 -0.025876 -0.024713 32O 2dz2 0.003302 0.001818 0.005920 0.005889 0.017044 0.013127 32O 2dxz -0.000338 0.002572 -0.012882 -0.013867 -0.030022 -0.025108 32O 2dyz -0.006090 -0.001119 0.001971 0.002959 -0.020700 -0.031082 32O 2dx2y2 0.006826 -0.008961 0.039096 0.040806 -0.010628 -0.010138 32O 2dxy 0.010582 0.004444 -0.018289 -0.017017 -0.006807 -0.011396 32O 1f0 0.045551 -0.053129 0.293074 0.308318 0.105500 0.068329 32O 1f+1 -0.050615 0.043616 -0.278893 -0.282105 -0.370062 -0.406963 32O 1f-1 -0.008170 0.057017 -0.249437 -0.269061 0.038476 0.058237 32O 1f+2 0.033207 0.053908 -0.131274 -0.152985 0.476574 0.482729 32O 1f-2 0.030280 0.067628 -0.269493 -0.282259 -0.181352 -0.174871 32O 1f+3 0.126924 -0.025517 0.222202 0.223448 -0.261579 -0.258853 32O 1f-3 0.036970 0.099989 -0.355902 -0.369377 0.113972 0.127556 33O 1s -0.000330 0.000070 -0.000168 0.000105 -0.000008 0.000680 33O 2s -0.001756 0.000188 -0.000657 0.000556 -0.000184 0.001979 33O 3s 0.029231 0.001458 0.008791 -0.011212 0.015586 -0.016467 33O 4s -0.113179 -0.009174 -0.011834 0.030880 -0.122185 0.034601 33O 5s 0.026150 -0.056655 -0.127992 0.131707 0.173419 -0.077531 33O 1pz 0.003706 -0.009116 0.005390 -0.008296 -0.003256 0.000871 33O 1px 0.002564 -0.005729 0.000353 -0.001123 0.006759 0.000396 33O 1py 0.000506 0.014790 -0.000157 0.005743 -0.004096 0.002661 33O 2pz -0.016069 -0.006944 -0.033438 0.048665 -0.011555 -0.018922 33O 2px 0.039947 0.016019 0.018485 -0.027198 0.007339 0.017440 33O 2py -0.030438 -0.011150 -0.003677 -0.004457 0.016058 -0.016029 33O 3pz -0.158185 0.052253 0.064004 -0.067035 -0.135534 0.152952 33O 3px 0.028862 0.023208 0.010699 0.006481 0.043088 -0.075297 33O 3py 0.023351 -0.047404 0.019913 -0.027092 -0.121060 0.134448 33O 1dz2 -0.038083 0.005219 -0.002308 0.010180 0.002977 -0.007465 33O 1dxz -0.009192 -0.012275 0.013186 -0.008524 -0.010262 -0.002309 33O 1dyz 0.018564 -0.009775 -0.006943 0.002711 0.028339 -0.009152 33O 1dx2y2 -0.009158 -0.017726 0.005824 -0.001130 -0.006145 0.004445 33O 1dxy -0.027097 0.026543 0.003286 0.003932 0.004594 0.000950 33O 2dz2 0.011793 -0.013281 -0.006335 0.007908 0.003470 -0.006792 33O 2dxz 0.010956 0.007964 0.012426 -0.014069 0.010295 0.001844 33O 2dyz -0.013700 0.009095 -0.004242 0.007394 0.013778 -0.010926 33O 2dx2y2 -0.019056 -0.000444 -0.002944 0.004854 -0.009007 0.002668 33O 2dxy 0.017319 -0.012516 0.002655 -0.004512 -0.000765 0.003656 33O 1f0 -0.315516 0.304862 0.015322 0.076985 0.005716 -0.044471 33O 1f+1 -0.021902 0.036831 0.004212 0.009717 -0.004295 -0.009218 33O 1f-1 0.051370 -0.016583 -0.019866 0.009164 0.049480 -0.027808 33O 1f+2 -0.063485 0.114111 -0.000168 0.026120 -0.008721 -0.005361 33O 1f-2 -0.034973 0.080929 0.002607 0.012960 -0.023425 -0.005345 33O 1f+3 -0.159965 0.100685 0.024719 0.034981 -0.018794 -0.038697 33O 1f-3 0.034816 -0.072808 -0.002671 -0.014355 0.037259 -0.003606 34O 1s -0.000142 0.000164 -0.000017 0.000210 0.000127 -0.000553 34O 2s -0.001078 0.000467 -0.000110 0.000619 0.000312 -0.001612 34O 3s 0.023819 -0.001676 0.003387 -0.004697 0.007159 0.013597 34O 4s -0.096274 -0.004518 -0.004735 0.024954 -0.083162 -0.030632 34O 5s 0.002886 -0.005022 -0.080399 -0.132167 0.131001 0.038444 34O 1pz 0.004481 0.016976 0.004656 0.009257 0.002709 -0.000566 34O 1px -0.001550 0.001918 0.002004 0.004576 -0.006169 0.001224 34O 1py -0.001619 0.010564 -0.003891 0.000922 0.002969 0.002733 34O 2pz 0.016879 -0.016089 -0.013795 -0.021582 -0.011945 -0.001536 34O 2px -0.037606 -0.002418 -0.030026 -0.035342 -0.008862 0.013125 34O 2py 0.032581 -0.004899 0.020061 0.011538 -0.011849 -0.018687 34O 3pz -0.092933 -0.054228 0.037700 0.040481 0.001773 0.007652 34O 3px -0.127416 -0.039400 0.056683 0.078313 -0.053508 -0.126749 34O 3py 0.032114 -0.009614 -0.055428 -0.075377 0.118569 0.151886 34O 1dz2 -0.012755 0.018561 0.010368 0.010824 -0.025633 -0.002459 34O 1dxz -0.031675 -0.025061 -0.004963 -0.011075 -0.000163 0.006058 34O 1dyz 0.024100 -0.001260 -0.002223 0.004738 -0.008318 -0.005206 34O 1dx2y2 -0.012502 0.000143 0.001438 -0.001715 -0.010999 -0.005264 34O 1dxy -0.019137 -0.025507 0.009586 0.004920 -0.007707 -0.006971 34O 2dz2 0.008421 0.000949 0.006491 0.005948 -0.000408 -0.002574 34O 2dxz 0.025417 0.018572 -0.004576 -0.001459 -0.002909 0.001642 34O 2dyz -0.001492 -0.004471 0.000537 0.002602 -0.004575 -0.003955 34O 2dx2y2 -0.012102 0.005693 -0.006388 -0.004289 -0.011615 -0.004543 34O 2dxy 0.016847 0.010324 0.009264 0.010240 -0.006023 -0.010295 34O 1f0 -0.000028 0.025245 0.006330 0.011026 0.006794 -0.006850 34O 1f+1 -0.206648 -0.181412 0.024070 -0.035189 -0.027104 0.030627 34O 1f-1 0.079447 0.172535 0.002207 0.038262 -0.008961 -0.016307 34O 1f+2 -0.051848 -0.044670 0.004996 0.000671 0.013644 -0.008116 34O 1f-2 0.164905 0.141016 0.002141 0.052755 -0.038619 -0.048858 34O 1f+3 0.150388 0.155589 -0.020530 0.026811 0.031413 -0.022957 34O 1f-3 -0.071591 -0.090333 -0.000795 -0.025813 -0.004330 0.014059 35O 1s 0.000420 0.000333 0.000024 0.000021 -0.000064 -0.000600 35O 2s 0.001966 0.001142 0.000339 -0.000052 -0.000050 -0.001230 35O 3s -0.032742 -0.010797 -0.011868 0.004651 0.004979 -0.012727 35O 4s 0.114477 0.024178 0.072577 -0.033599 -0.052911 0.099414 35O 5s 0.086114 -0.017001 -0.036803 0.036834 0.346015 0.428653 35O 1pz 0.000805 0.010672 -0.001994 -0.000244 -0.004028 -0.008377 35O 1px -0.000736 0.004578 -0.003154 -0.002980 -0.012346 -0.008733 35O 1py 0.005163 -0.018349 -0.001170 -0.004561 -0.010037 -0.009541 35O 2pz -0.020228 -0.007825 0.013496 0.004053 0.014130 0.046279 35O 2px 0.038394 -0.001783 0.039097 -0.000147 0.054437 0.145033 35O 2py 0.032152 0.019412 0.015798 -0.004727 0.046634 0.092227 35O 3pz 0.107651 -0.021898 0.000082 -0.032118 -0.059752 -0.074008 35O 3px 0.200753 -0.029127 -0.016099 0.016998 0.060275 0.045978 35O 3py 0.054856 0.026845 0.019633 0.036931 -0.069617 -0.095758 35O 1dz2 0.026555 0.011535 -0.005305 0.012088 -0.011102 0.004360 35O 1dxz 0.017813 -0.013006 -0.003047 -0.004272 -0.000615 0.000428 35O 1dyz -0.001280 -0.015374 -0.005833 -0.004449 0.022950 0.009445 35O 1dx2y2 0.037781 -0.017339 0.003832 0.005029 -0.000203 -0.000869 35O 1dxy -0.024416 0.031016 -0.002325 0.007968 0.009213 0.000492 35O 2dz2 -0.008561 0.003945 -0.005591 0.001748 -0.009681 -0.025109 35O 2dxz -0.016081 0.016032 0.006957 -0.001443 -0.004491 0.009668 35O 2dyz 0.001023 0.003909 -0.000607 -0.003169 0.001125 0.005878 35O 2dx2y2 -0.001537 0.013846 0.006886 0.008459 0.007557 0.025947 35O 2dxy 0.031988 -0.011972 0.004866 -0.008453 0.012963 0.036783 35O 1f0 0.070724 -0.127122 -0.000860 -0.030895 0.002936 0.021790 35O 1f+1 0.219434 -0.179688 -0.021704 -0.027615 0.023881 0.043699 35O 1f-1 0.092624 -0.074322 -0.016099 -0.015061 0.004116 0.025666 35O 1f+2 0.136449 -0.184740 -0.004050 -0.043725 -0.017034 -0.014587 35O 1f-2 -0.068147 0.028425 -0.010603 0.005252 0.048676 0.013252 35O 1f+3 -0.119515 0.107147 0.000619 0.026448 0.004139 -0.026151 35O 1f-3 -0.136901 0.112927 0.009323 0.022022 0.016441 -0.026418 642 643 644 645 646 647 5.47124 5.47218 5.47791 5.47878 5.48950 5.49122 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s -0.000088 -0.000039 -0.000001 -0.000004 -0.000059 -0.000062 0Rh 2s 0.000714 0.000277 -0.000114 0.000099 0.000540 0.000484 0Rh 3s -0.000107 -0.000069 -0.000076 0.000036 -0.000033 -0.000088 0Rh 4s -0.004326 -0.001713 0.000601 -0.000563 -0.003232 -0.002951 0Rh 5s 0.011271 0.004559 -0.001523 0.001561 0.008383 0.007732 0Rh 6s -0.012980 -0.005372 0.001973 -0.002742 -0.009442 -0.009119 0Rh 7s 0.029864 0.006263 -0.003969 0.028098 0.010199 0.009222 0Rh 8s 0.012456 0.011015 -0.002678 -0.016408 0.002718 0.009279 0Rh 1pz 0.002750 0.005605 0.035636 0.055309 0.000972 0.003275 0Rh 1px 0.000641 0.005203 0.022209 0.009156 -0.001356 -0.001091 0Rh 1py -0.000493 -0.002311 -0.054911 0.040878 0.003071 0.015294 0Rh 2pz -0.011356 -0.023019 -0.146506 -0.227378 -0.003997 -0.013580 0Rh 2px -0.002612 -0.021411 -0.091304 -0.037625 0.005569 0.004519 0Rh 2py 0.002042 0.009490 0.225733 -0.168062 -0.012629 -0.063145 0Rh 3pz 0.035343 0.069749 0.446006 0.692098 0.012197 0.043496 0Rh 3px 0.007459 0.065599 0.277919 0.114223 -0.016827 -0.014486 0Rh 3py -0.006475 -0.028733 -0.686934 0.511717 0.038503 0.197262 0Rh 4pz -0.042174 -0.080859 -0.517802 -0.803283 -0.014220 -0.056568 0Rh 4px -0.007000 -0.077640 -0.322519 -0.131370 0.018957 0.019231 0Rh 4py 0.008216 0.032911 0.796714 -0.594145 -0.044834 -0.243071 0Rh 5pz 0.014394 0.039304 0.213962 0.332758 0.005984 0.034698 0Rh 5px 0.000198 0.037118 0.133215 0.049823 -0.006090 -0.013220 0Rh 5py -0.003872 -0.013100 -0.327372 0.244918 0.018624 0.125195 0Rh 6pz 0.040080 -0.188680 -0.188427 -0.311391 -0.009325 -0.054068 0Rh 6px -0.047653 -0.071138 -0.106543 -0.025082 -0.007145 0.028483 0Rh 6py -0.015552 0.022346 0.232808 -0.176674 -0.009109 -0.090120 0Rh 1dz2 -0.000860 0.001046 -0.001351 -0.000537 0.000302 -0.000123 0Rh 1dxz 0.003090 -0.002474 0.001169 0.003098 0.000339 0.000957 0Rh 1dyz 0.001004 0.000035 0.001761 0.001182 -0.000217 0.000133 0Rh 1dx2y2 0.000398 -0.000088 0.001989 -0.000392 -0.000296 -0.000022 0Rh 1dxy 0.000111 0.000202 -0.000947 0.001333 -0.000244 -0.001007 0Rh 2dz2 0.000231 -0.000426 0.000056 -0.000218 -0.000032 0.000042 0Rh 2dxz -0.000555 0.000669 0.000103 -0.000007 -0.000098 0.000092 0Rh 2dyz -0.000322 -0.000316 0.000035 -0.000212 0.000100 -0.000105 0Rh 2dx2y2 -0.000261 0.000055 -0.000134 0.000080 0.000230 -0.000218 0Rh 2dxy -0.000130 -0.000208 -0.000416 0.000246 0.000149 0.000792 0Rh 3dz2 0.003023 -0.002991 0.006278 0.003707 -0.001291 0.000405 0Rh 3dxz -0.012271 0.008733 -0.006205 -0.015081 -0.001172 -0.005118 0Rh 3dyz -0.003293 0.001352 -0.008769 -0.004735 0.000584 -0.000135 0Rh 3dx2y2 -0.000639 0.000165 -0.009054 0.001511 0.000340 0.001179 0Rh 3dxy 0.000090 0.000040 0.006635 -0.007736 0.000469 0.001093 0Rh 4dz2 -0.004730 0.003759 -0.012732 -0.009205 0.002301 -0.000715 0Rh 4dxz 0.022288 -0.014223 0.013777 0.032004 0.001839 0.011625 0Rh 4dyz 0.004704 -0.004422 0.019056 0.008898 -0.000723 -0.000413 0Rh 4dx2y2 -0.000659 -0.000073 0.018731 -0.002728 0.000420 -0.004054 0Rh 4dxy -0.001131 -0.001297 -0.016556 0.018180 -0.000199 0.001899 0Rh 5dz2 0.003547 -0.000165 0.018589 0.020592 -0.002098 0.003243 0Rh 5dxz -0.027459 0.012294 -0.024206 -0.052137 -0.000476 -0.027624 0Rh 5dyz 0.005935 0.011385 -0.033685 -0.008949 -0.001278 0.006227 0Rh 5dx2y2 0.012501 -0.000094 -0.030466 0.002599 -0.004500 0.015619 0Rh 5dxy 0.009460 0.004977 0.036210 -0.036677 -0.002950 -0.021838 0Rh 1f0 -0.001328 0.001448 0.009396 -0.004295 -0.000517 -0.000581 0Rh 1f+1 -0.003114 0.003515 -0.004354 -0.009102 -0.000317 -0.001338 0Rh 1f-1 0.001191 -0.002295 0.003626 -0.020791 -0.000873 0.000945 0Rh 1f+2 0.002356 0.000957 0.014850 0.013678 -0.000308 0.001286 0Rh 1f-2 -0.000985 0.001972 0.014020 -0.006721 -0.000579 -0.000106 0Rh 1f+3 0.000290 -0.000358 -0.013494 -0.003430 0.000250 0.001597 0Rh 1f-3 0.001672 -0.000033 0.008331 -0.005755 -0.000367 -0.003499 1Rh 1s 0.000068 -0.000048 -0.000007 -0.000006 -0.000058 0.000065 1Rh 2s -0.000571 0.000345 -0.000064 0.000105 0.000534 -0.000510 1Rh 3s 0.000072 -0.000086 -0.000082 0.000024 -0.000033 0.000088 1Rh 4s 0.003451 -0.002130 0.000298 -0.000607 -0.003201 0.003106 1Rh 5s -0.008994 0.005640 -0.000720 0.001666 0.008300 -0.008136 1Rh 6s 0.010435 -0.006570 0.001002 -0.002781 -0.009331 0.009596 1Rh 7s -0.025340 0.006350 -0.002140 0.027739 0.010197 -0.009984 1Rh 8s -0.008823 0.011588 -0.003897 -0.017320 0.002193 -0.009057 1Rh 1pz 0.002552 -0.005722 -0.035635 -0.055167 -0.000744 0.003477 1Rh 1px -0.000030 -0.005360 -0.022264 -0.009155 0.001386 -0.001127 1Rh 1py -0.000742 0.002443 0.054977 -0.040794 -0.002719 0.015323 1Rh 2pz -0.010541 0.023505 0.146502 0.226794 0.003058 -0.014408 1Rh 2px 0.000150 0.022055 0.091531 0.037622 -0.005692 0.004666 1Rh 2py 0.003063 -0.010037 -0.226007 0.167716 0.011177 -0.063265 1Rh 3pz 0.032880 -0.071291 -0.445995 -0.690289 -0.009256 0.046022 1Rh 3px -0.000979 -0.067513 -0.278612 -0.114206 0.017201 -0.014939 1Rh 3py -0.009590 0.030432 0.687782 -0.510646 -0.033984 0.197630 1Rh 4pz -0.039277 0.082760 0.517808 0.801099 0.010563 -0.059509 1Rh 4px 0.002846 0.079624 0.323320 0.131321 -0.019379 0.019757 1Rh 4py 0.011889 -0.034931 -0.797728 0.592857 0.039311 -0.243510 1Rh 5pz 0.012430 -0.039985 -0.214038 -0.331717 -0.003987 0.035960 1Rh 5px -0.003864 -0.037057 -0.133506 -0.049761 0.006216 -0.013403 1Rh 5py -0.005617 0.013817 0.327790 -0.244342 -0.015860 0.125394 1Rh 6pz 0.060572 0.189448 0.188706 0.312713 0.006323 -0.058312 1Rh 6px -0.045771 0.062193 0.106083 0.025847 0.007715 0.027090 1Rh 6py -0.014729 -0.022411 -0.231107 0.177839 0.007321 -0.090631 1Rh 1dz2 0.000908 0.000873 -0.001329 -0.000632 0.000284 0.000104 1Rh 1dxz -0.003312 -0.002210 0.001163 0.003106 0.000348 -0.000990 1Rh 1dyz -0.000932 0.000226 0.001765 0.001188 -0.000225 -0.000165 1Rh 1dx2y2 -0.000410 -0.000051 0.001933 -0.000431 -0.000287 0.000017 1Rh 1dxy -0.000193 0.000115 -0.000940 0.001347 -0.000201 0.000996 1Rh 2dz2 -0.000250 -0.000392 0.000046 -0.000203 -0.000025 -0.000039 1Rh 2dxz 0.000622 0.000617 0.000104 -0.000011 -0.000110 -0.000083 1Rh 2dyz 0.000281 -0.000365 0.000023 -0.000190 0.000103 0.000110 1Rh 2dx2y2 0.000256 0.000025 -0.000125 0.000065 0.000230 0.000209 1Rh 2dxy 0.000136 -0.000200 -0.000421 0.000240 0.000128 -0.000795 1Rh 3dz2 -0.003164 -0.002323 0.006215 0.004096 -0.001233 -0.000327 1Rh 3dxz 0.013024 0.007707 -0.006184 -0.015103 -0.001155 0.005232 1Rh 3dyz 0.003141 0.000666 -0.008732 -0.004868 0.000612 0.000268 1Rh 3dx2y2 0.000719 0.000136 -0.008824 0.001771 0.000292 -0.001106 1Rh 3dxy 0.000281 0.000424 0.006630 -0.007778 0.000365 -0.001025 1Rh 4dz2 0.004917 0.002603 -0.012646 -0.009892 0.002212 0.000573 1Rh 4dxz -0.023464 -0.012381 0.013770 0.032058 0.001729 -0.011811 1Rh 4dyz -0.004604 -0.003307 0.018914 0.009293 -0.000768 0.000143 1Rh 4dx2y2 0.000450 -0.000235 0.018268 -0.003353 0.000532 0.003851 1Rh 4dxy 0.000395 -0.002066 -0.016586 0.018241 -0.000092 -0.002062 1Rh 5dz2 -0.003704 0.001044 0.018505 0.020985 -0.002133 -0.003051 1Rh 5dxz 0.028399 0.010153 -0.024497 -0.052494 0.000079 0.027680 1Rh 5dyz -0.005357 0.011338 -0.033237 -0.010140 -0.001320 -0.005767 1Rh 5dx2y2 -0.012058 0.001097 -0.029566 0.004052 -0.004783 -0.015145 1Rh 5dxy -0.008520 0.006485 0.036478 -0.036692 -0.002702 0.022178 1Rh 1f0 -0.001367 -0.001381 -0.009390 0.004287 0.000497 -0.000575 1Rh 1f+1 -0.003434 -0.003151 0.004333 0.009115 0.000266 -0.001383 1Rh 1f-1 0.001447 0.002193 -0.003615 0.020846 0.000852 0.000874 1Rh 1f+2 0.002340 -0.001103 -0.014802 -0.013721 0.000362 0.001363 1Rh 1f-2 -0.001097 -0.001863 -0.014015 0.006698 0.000578 -0.000098 1Rh 1f+3 0.000281 0.000445 0.013478 0.003425 -0.000236 0.001560 1Rh 1f-3 0.001582 -0.000184 -0.008323 0.005751 0.000296 -0.003507 2C 1s 0.000386 0.000144 -0.000086 -0.001297 -0.000335 0.001582 2C 2s 0.000393 0.000345 -0.000233 -0.000893 -0.000568 0.001894 2C 3s 0.017393 -0.004813 0.007158 -0.048159 -0.007460 0.034762 2C 4s -0.118855 -0.030866 -0.027246 0.199369 0.055857 -0.230853 2C 5s 0.136003 -0.064692 0.013526 -0.012289 -0.012079 0.586617 2C 1pz 0.000865 -0.001073 0.001621 0.009789 0.002851 -0.006731 2C 1px -0.001446 -0.003735 0.000067 -0.033944 -0.000270 -0.000425 2C 1py -0.000556 -0.001344 0.000843 -0.007110 -0.002363 -0.003428 2C 2pz -0.062481 -0.043419 -0.028742 -0.143664 -0.006420 -0.076961 2C 2px -0.004107 0.022116 -0.001581 0.244904 0.001444 -0.034093 2C 2py -0.031017 -0.023441 0.007288 0.007382 0.050161 -0.059033 2C 3pz 0.027983 -0.017348 0.001530 0.008677 0.018948 0.114345 2C 3px 0.010204 0.019750 -0.000063 0.046831 0.017157 0.027946 2C 3py 0.012109 -0.004191 -0.001587 0.025397 -0.035335 0.095418 2C 1dz2 -0.004608 -0.000806 -0.001241 -0.025120 -0.030582 0.010203 2C 1dxz -0.002888 0.000132 0.001488 0.037666 -0.017159 0.008154 2C 1dyz -0.002487 -0.003536 -0.000234 -0.013494 0.021108 -0.027671 2C 1dx2y2 -0.000319 0.001229 0.000170 0.000244 -0.025173 0.022037 2C 1dxy -0.000755 -0.000573 -0.000664 0.027478 0.004275 -0.005679 2C 2dz2 -0.019830 -0.017598 -0.001037 -0.150841 -0.046680 0.010874 2C 2dxz 0.001081 0.007754 0.006835 0.213508 -0.026539 0.031472 2C 2dyz -0.017977 -0.008813 -0.007757 -0.053907 0.031035 -0.053271 2C 2dx2y2 0.003623 0.014579 0.005835 0.016399 -0.034096 0.021412 2C 2dxy 0.002774 0.011663 -0.008051 0.154335 0.023174 -0.024287 2C 1f0 -0.006796 -0.002868 0.003495 -0.090260 -0.057600 0.030472 2C 1f+1 -0.003985 0.003167 -0.003652 0.083421 -0.012152 -0.000974 2C 1f-1 -0.005721 -0.001261 -0.005815 -0.028007 -0.001234 -0.015494 2C 1f+2 0.002174 0.002315 -0.002192 0.014407 -0.039604 0.042824 2C 1f-2 -0.003273 0.007809 0.006831 0.161220 -0.008460 0.000147 2C 1f+3 0.001740 -0.000777 0.008040 0.015235 -0.003761 0.006676 2C 1f-3 -0.000299 -0.004937 0.000932 -0.059228 0.018268 -0.019019 3C 1s 0.000298 -0.000383 -0.001152 0.000105 -0.000233 -0.001255 3C 2s 0.000367 -0.000683 -0.000925 0.000205 -0.000462 -0.001238 3C 3s 0.006554 0.004362 -0.044973 0.001035 -0.005292 -0.038111 3C 4s -0.061026 0.025024 0.196086 -0.024463 0.048201 0.229825 3C 5s 0.091685 0.083065 -0.089516 -0.031510 0.007563 -0.394000 3C 1pz -0.000745 0.002379 0.009965 -0.000444 -0.003055 0.004212 3C 1px 0.000470 -0.002632 -0.034533 0.000659 0.000850 0.001789 3C 1py 0.000981 -0.003479 -0.005927 0.000741 -0.001816 -0.002361 3C 2pz -0.018297 0.002530 -0.095749 -0.017746 0.055864 0.033347 3C 2px -0.023863 0.034223 0.257852 -0.020929 0.004565 0.041470 3C 2py 0.039693 -0.004452 0.075083 0.005138 0.002205 -0.124767 3C 3pz 0.006648 0.005555 -0.016112 -0.001771 -0.040568 -0.013945 3C 3px 0.012225 0.005780 0.038344 -0.001514 -0.006995 -0.025171 3C 3py -0.023027 -0.012465 0.001159 0.004278 -0.028512 0.097170 3C 1dz2 -0.000390 -0.000809 -0.011511 -0.000573 0.031478 -0.038669 3C 1dxz -0.002801 0.002311 0.024701 -0.000008 0.019155 -0.016951 3C 1dyz 0.004326 -0.000546 0.021838 0.000684 -0.026031 0.014907 3C 1dx2y2 0.000750 -0.000504 0.023366 0.000957 0.026368 -0.045139 3C 1dxy 0.002170 -0.003087 -0.033165 0.001410 0.003359 -0.014661 3C 2dz2 0.001525 -0.005904 -0.069509 -0.000349 0.033747 -0.039730 3C 2dxz -0.008479 0.011650 0.110702 0.003870 0.027184 -0.026208 3C 2dyz 0.014636 0.013503 0.117395 -0.001820 -0.048182 0.009681 3C 2dx2y2 0.002407 0.007155 0.142317 0.007201 0.039761 -0.080493 3C 2dxy 0.011115 -0.023097 -0.196572 0.007032 0.015508 -0.035136 3C 1f0 -0.000102 0.000594 0.010083 0.005280 0.014334 -0.024521 3C 1f+1 -0.002266 -0.001377 -0.038572 -0.003545 0.024400 -0.023141 3C 1f-1 0.003830 0.007072 0.065256 -0.004695 -0.066945 0.079028 3C 1f+2 0.001280 0.006286 0.052410 -0.004009 -0.002075 -0.018154 3C 1f-2 0.004971 -0.009720 -0.102489 0.006038 -0.020760 0.010338 3C 1f+3 -0.004236 0.007273 0.090842 0.005018 -0.007214 0.019200 3C 1f-3 0.000286 0.008030 0.128362 -0.001199 0.022294 -0.039547 4C 1s -0.000567 0.000797 -0.000080 0.000447 -0.000050 -0.001998 4C 2s -0.000962 0.000985 0.000012 0.001184 -0.000282 -0.003262 4C 3s 0.014186 0.054634 -0.021871 -0.017888 0.018351 -0.012141 4C 4s -0.052378 -0.293745 0.110660 0.080548 -0.072288 0.183876 4C 5s -0.090341 -0.136354 0.026457 0.023370 -0.005903 -0.368349 4C 1pz 0.012305 0.004911 -0.000626 -0.036554 0.000377 0.018390 4C 1px -0.008895 0.001394 0.003123 0.112563 0.004971 0.003405 4C 1py 0.004228 0.003242 0.000374 0.020354 -0.005721 0.016177 4C 2pz -0.162275 -0.134531 0.006261 0.127784 0.082989 -0.170814 4C 2px 0.193116 0.009645 0.005004 -0.441685 0.023147 -0.057864 4C 2py -0.036449 -0.070709 0.003248 -0.079622 -0.094084 -0.023645 4C 3pz 0.056060 -0.086731 0.013362 0.195864 -0.039690 0.310084 4C 3px 0.038306 -0.066577 -0.016600 -0.303435 -0.039299 0.045269 4C 3py 0.054831 -0.073381 0.006871 0.001050 0.054817 0.169279 4C 1dz2 -0.000848 -0.001441 -0.005684 -0.010825 0.056346 -0.020083 4C 1dxz 0.010545 0.003895 0.010902 0.008658 0.024519 -0.005405 4C 1dyz -0.002249 -0.002471 0.007141 -0.007206 -0.031604 0.031953 4C 1dx2y2 0.001445 -0.007003 0.015151 -0.003193 0.036877 -0.030036 4C 1dxy 0.006476 -0.006858 -0.016212 0.008745 0.006001 -0.002670 4C 2dz2 -0.015477 0.015710 -0.005745 -0.167945 -0.038519 0.020323 4C 2dxz 0.092669 0.089390 -0.000480 0.279308 0.000326 -0.001239 4C 2dyz 0.027660 0.001691 0.009117 0.003237 0.004999 0.025830 4C 2dx2y2 -0.024778 -0.076678 0.014501 0.033694 -0.022094 0.004652 4C 2dxy 0.048062 0.005642 0.016832 0.223094 -0.001790 0.011722 4C 1f0 0.010356 0.003262 0.010035 0.048981 0.133748 -0.096899 4C 1f+1 0.005868 0.010293 -0.007405 -0.090361 0.067633 -0.062787 4C 1f-1 -0.008758 -0.001239 -0.001798 0.105245 0.024276 -0.041615 4C 1f+2 0.003231 -0.009760 0.002577 0.082016 0.103627 -0.047617 4C 1f-2 0.004545 -0.011235 0.000651 -0.205671 0.019168 -0.026971 4C 1f+3 -0.007651 0.000077 0.005813 0.051184 -0.012545 0.007033 4C 1f-3 -0.009317 0.022365 -0.002016 0.133799 -0.043916 0.019829 5C 1s -0.000635 -0.000596 0.000288 0.000154 -0.000045 0.001488 5C 2s -0.001132 -0.000630 0.000459 0.000296 -0.000232 0.002341 5C 3s 0.020126 -0.050383 0.022599 0.008653 0.013470 0.023251 5C 4s -0.073356 0.275996 -0.097218 -0.053967 -0.048020 -0.214349 5C 5s -0.070636 0.106332 -0.007739 -0.029878 -0.007391 0.254226 5C 1pz 0.001628 -0.002693 -0.036198 0.002048 -0.006407 -0.003953 5C 1px 0.010335 0.001202 0.113751 -0.001396 -0.005070 -0.003431 5C 1py -0.005919 0.003627 0.020478 -0.002188 -0.001924 0.018605 5C 2pz 0.014300 0.038903 0.119973 -0.025350 -0.098786 0.206396 5C 2px -0.190829 0.076352 -0.427392 0.008762 -0.004219 0.070684 5C 2py 0.050019 -0.078575 -0.071240 0.039302 -0.096426 -0.045846 5C 3pz 0.041584 0.078656 0.102608 -0.024895 0.067630 -0.141726 5C 3px -0.011743 0.000901 -0.302598 -0.011761 0.020129 -0.063657 5C 3py -0.055537 -0.102991 -0.052964 0.034618 0.043935 0.130007 5C 1dz2 0.004415 -0.006588 -0.007138 -0.008497 -0.061024 0.063957 5C 1dxz -0.000230 -0.001607 0.007581 0.018930 -0.026019 0.020845 5C 1dyz -0.004055 -0.003304 0.014118 0.000620 0.031624 -0.021165 5C 1dx2y2 -0.004196 0.006035 0.008244 0.004430 -0.043019 0.057138 5C 1dxy 0.005903 0.000529 -0.007951 0.015718 -0.000575 0.009459 5C 2dz2 0.026996 -0.048827 -0.088577 0.009240 0.038574 -0.001262 5C 2dxz -0.012634 -0.019573 0.147318 0.012114 0.004708 -0.011583 5C 2dyz -0.036063 0.008326 0.139322 -0.000465 -0.008793 0.032938 5C 2dx2y2 -0.062582 0.092393 0.162721 -0.020889 0.013403 0.015954 5C 2dxy 0.036239 -0.036182 -0.286521 -0.012742 0.017909 0.022141 5C 1f0 -0.000777 -0.016326 -0.088513 0.012189 -0.015867 0.006105 5C 1f+1 0.009182 -0.000120 0.112400 -0.004081 -0.066825 0.083912 5C 1f-1 -0.010382 -0.007222 -0.094907 -0.003665 0.166603 -0.204454 5C 1f+2 0.007532 -0.006652 -0.048979 -0.000005 -0.008624 -0.013002 5C 1f-2 0.006471 0.018605 0.209186 -0.005407 0.054751 -0.104019 5C 1f+3 0.001206 -0.007603 0.002251 0.005061 0.036264 -0.014036 5C 1f-3 0.004235 0.003038 -0.118863 0.002071 -0.076838 0.073456 6C 1s 0.000590 -0.000674 0.000278 0.000149 -0.000066 -0.001483 6C 2s 0.001079 -0.000768 0.000443 0.000285 -0.000263 -0.002323 6C 3s -0.022828 -0.047910 0.022733 0.008903 0.012875 -0.024372 6C 4s 0.088132 0.266961 -0.096780 -0.055008 -0.043897 0.218598 6C 5s 0.073211 0.097449 -0.006904 -0.030178 -0.009903 -0.253990 6C 1pz 0.001466 0.002605 0.036197 -0.002089 0.006376 -0.004189 6C 1px 0.010580 -0.002902 -0.113622 0.001501 0.005077 -0.003312 6C 1py -0.005757 -0.002969 -0.020437 0.002235 0.002202 0.018682 6C 2pz 0.015431 -0.041216 -0.119646 0.026254 0.102587 0.204892 6C 2px -0.197162 -0.048958 0.425543 -0.009926 0.005081 0.070333 6C 2py 0.050622 0.073089 0.071546 -0.039536 0.096510 -0.048892 6C 3pz 0.034776 -0.084463 -0.102697 0.024943 -0.069811 -0.139117 6C 3px -0.013228 0.001138 0.301753 0.011318 -0.021106 -0.063684 6C 3py -0.046790 0.110973 0.053183 -0.034815 -0.042451 0.130068 6C 1dz2 -0.004994 -0.006103 -0.007198 -0.008631 -0.062381 -0.062633 6C 1dxz 0.000038 -0.001878 0.007520 0.018812 -0.026471 -0.020345 6C 1dyz 0.004032 -0.003652 0.014219 0.000696 0.032166 0.020494 6C 1dx2y2 0.004663 0.005515 0.008135 0.004317 -0.044094 -0.056154 6C 1dxy -0.005716 0.001211 -0.008126 0.015591 -0.000603 -0.009360 6C 2dz2 -0.029191 -0.045103 -0.088838 0.009616 0.038512 0.000384 6C 2dxz 0.011693 -0.021718 0.147136 0.012123 0.004744 0.011224 6C 2dyz 0.035416 0.003082 0.139573 -0.000485 -0.009403 -0.033698 6C 2dx2y2 0.066414 0.083713 0.163342 -0.020957 0.013381 -0.016665 6C 2dxy -0.039067 -0.030823 -0.286504 -0.013017 0.017514 -0.022073 6C 1f0 -0.000366 0.016561 0.088732 -0.012087 0.016035 0.005439 6C 1f+1 0.009683 -0.000819 -0.112092 0.004311 0.068585 0.082730 6C 1f-1 -0.010706 0.007922 0.094565 0.003010 -0.170896 -0.201007 6C 1f+2 0.007785 0.006008 0.048861 -0.000091 0.008507 -0.013351 6C 1f-2 0.006458 -0.019502 -0.209117 0.005449 -0.056814 -0.102595 6C 1f+3 0.001673 0.007557 -0.002121 -0.004998 -0.036719 -0.013214 6C 1f-3 0.004052 -0.002933 0.118982 -0.001800 0.078478 0.071479 7C 1s 0.000640 0.000772 -0.000063 0.000482 0.000004 0.001994 7C 2s 0.001053 0.000945 0.000041 0.001242 -0.000190 0.003261 7C 3s -0.008441 0.055343 -0.021759 -0.017101 0.018470 0.011678 7C 4s 0.021240 -0.296832 0.109326 0.075593 -0.076836 -0.182242 7C 5s 0.074076 -0.141142 0.027148 0.024118 0.003224 0.368783 7C 1pz 0.011481 -0.005526 0.000704 0.036674 -0.000004 0.018251 7C 1px -0.008934 -0.000960 -0.003206 -0.112432 -0.004839 0.003760 7C 1py 0.003780 -0.003515 -0.000349 -0.020185 0.006039 0.016108 7C 2pz -0.144825 0.144088 -0.006499 -0.128933 -0.086533 -0.169223 7C 2px 0.190975 -0.023901 -0.004157 0.442493 -0.024912 -0.058367 7C 2py -0.027790 0.072930 -0.002782 0.079154 0.092404 -0.026013 7C 3pz 0.061196 0.083912 -0.011559 -0.194776 0.045769 0.309213 7C 3px 0.044455 0.063846 0.017025 0.303289 0.039450 0.042190 7C 3py 0.060410 0.070831 -0.005716 -0.000788 -0.051213 0.170328 7C 1dz2 0.000592 -0.001517 -0.005612 -0.011092 0.056497 0.019307 7C 1dxz -0.010291 0.004729 0.010949 0.008547 0.024447 0.004964 7C 1dyz 0.001722 -0.002848 0.007004 -0.007676 -0.032021 -0.031323 7C 1dx2y2 -0.002097 -0.006835 0.015226 -0.003111 0.037367 0.029473 7C 1dxy -0.007027 -0.006127 -0.016260 0.008726 0.006152 0.002693 7C 2dz2 0.017580 0.014339 -0.005658 -0.166423 -0.039096 -0.019330 7C 2dxz -0.081994 0.095612 -0.000419 0.277564 0.000270 0.000280 7C 2dyz -0.026399 0.003290 0.009076 0.002481 0.004279 -0.026006 7C 2dx2y2 0.016540 -0.078101 0.013994 0.032334 -0.021928 -0.003915 7C 2dxy -0.047186 0.009150 0.016724 0.222640 -0.001983 -0.012371 7C 1f0 0.010047 -0.004496 -0.010425 -0.048317 -0.134942 -0.094310 7C 1f+1 0.004575 -0.010887 0.007154 0.089086 -0.068490 -0.061556 7C 1f-1 -0.008558 0.001635 0.001627 -0.105923 -0.026517 -0.041697 7C 1f+2 0.004253 0.009406 -0.002709 -0.081848 -0.103465 -0.045492 7C 1f-2 0.005760 0.010944 -0.000541 0.205775 -0.020097 -0.027297 7C 1f+3 -0.007464 0.000961 -0.005799 -0.050464 0.012386 0.006711 7C 1f-3 -0.011727 -0.021402 0.002003 -0.133528 0.044318 0.019519 8C 1s -0.000314 -0.000352 -0.001178 0.000108 -0.000213 0.001267 8C 2s -0.000408 -0.000648 -0.000946 0.000208 -0.000442 0.001256 8C 3s -0.005358 0.005189 -0.045969 0.001051 -0.004619 0.038785 8C 4s 0.057234 0.017483 0.200745 -0.024624 0.044318 -0.233924 8C 5s -0.080216 0.094640 -0.091127 -0.031561 0.012702 0.393383 8C 1pz -0.000843 -0.002267 -0.009954 0.000475 0.003123 0.004135 8C 1px 0.000444 0.002443 0.034537 -0.000669 -0.000826 0.001726 8C 1py 0.001258 0.003412 0.005907 -0.000736 0.001808 -0.002357 8C 2pz -0.018067 -0.000612 0.095954 0.017706 -0.055423 0.035130 8C 2px -0.024244 -0.030448 -0.257688 0.020725 -0.004020 0.042679 8C 2py 0.037912 -0.000910 -0.075633 -0.005237 -0.004022 -0.125428 8C 3pz 0.006339 -0.006246 0.015991 0.001974 0.040614 -0.014970 8C 3px 0.011979 -0.007295 -0.038293 0.001735 0.006738 -0.025284 8C 3py -0.021031 0.015567 -0.001014 -0.004077 0.029807 0.096095 8C 1dz2 0.000449 -0.000823 -0.011314 -0.000445 0.032274 0.038000 8C 1dxz 0.002896 0.002104 0.024631 0.000023 0.019672 0.016629 8C 1dyz -0.004431 -0.000060 0.021962 0.000589 -0.026419 -0.014294 8C 1dx2y2 -0.000827 -0.000298 0.023408 0.001040 0.027205 0.044493 8C 1dxy -0.002275 -0.002955 -0.033128 0.001450 0.003657 0.014781 8C 2dz2 -0.001370 -0.005433 -0.069148 -0.000123 0.034553 0.039352 8C 2dxz 0.008554 0.010730 0.110353 0.003900 0.028272 0.026114 8C 2dyz -0.013687 0.015434 0.117832 -0.002128 -0.048552 -0.008386 8C 2dx2y2 -0.002125 0.007472 0.142538 0.007217 0.041156 0.079426 8C 2dxy -0.011163 -0.021417 -0.196262 0.007398 0.016306 0.035522 8C 1f0 -0.000064 -0.000501 -0.009901 -0.005235 -0.014808 -0.024210 8C 1f+1 -0.002467 0.001543 0.038890 0.003332 -0.024719 -0.022502 8C 1f-1 0.003773 -0.007393 -0.065476 0.004926 0.068735 0.077849 8C 1f+2 0.000894 -0.006485 -0.051920 0.003981 0.001878 -0.017994 8C 1f-2 0.005143 0.009327 0.103228 -0.005962 0.020939 0.009363 8C 1f+3 -0.004181 -0.006709 -0.090179 -0.004813 0.007441 0.019093 8C 1f-3 0.000238 -0.008277 -0.128488 0.001171 -0.023178 -0.039030 9C 1s -0.000370 0.000164 -0.000090 -0.001346 -0.000363 -0.001562 9C 2s -0.000360 0.000367 -0.000234 -0.000939 -0.000586 -0.001856 9C 3s -0.017401 -0.003842 0.006997 -0.049667 -0.008495 -0.034674 9C 4s 0.112538 -0.037578 -0.026649 0.206739 0.061296 0.229507 9C 5s -0.137517 -0.057805 0.010648 -0.017065 -0.025365 -0.586649 9C 1pz 0.000905 0.001008 -0.001630 -0.009760 -0.002939 -0.006618 9C 1px -0.001050 0.003780 -0.000070 0.033831 0.000261 -0.000492 9C 1py -0.000443 0.001378 -0.000848 0.007022 0.002321 -0.003397 9C 2pz -0.056068 0.046708 0.028911 0.142192 0.004327 -0.077028 9C 2px -0.006123 -0.021774 0.001964 -0.244080 -0.002333 -0.033518 9C 2py -0.027666 0.025310 -0.007497 -0.006519 -0.051710 -0.059293 9C 3pz 0.028831 0.016087 -0.001033 -0.007889 -0.016448 0.114074 9C 3px 0.007754 -0.020085 0.000129 -0.047108 -0.016221 0.028355 9C 3py 0.012178 0.003321 0.002082 -0.025476 0.037131 0.095557 9C 1dz2 0.004516 -0.001202 -0.001303 -0.024924 -0.030656 -0.009767 9C 1dxz 0.002856 0.000018 0.001517 0.037703 -0.017168 -0.007973 9C 1dyz 0.002142 -0.003587 -0.000170 -0.013369 0.021278 0.027068 9C 1dx2y2 0.000434 0.001098 0.000144 0.000145 -0.025723 -0.021823 9C 1dxy 0.000697 -0.000482 -0.000641 0.027323 0.004263 0.005412 9C 2dz2 0.017425 -0.018800 -0.001205 -0.150280 -0.046448 -0.009487 9C 2dxz -0.000436 0.007660 0.007042 0.212909 -0.026910 -0.031519 9C 2dyz 0.016511 -0.009791 -0.007592 -0.054375 0.031491 0.052356 9C 2dx2y2 -0.001909 0.014455 0.006139 0.015998 -0.035402 -0.021744 9C 2dxy -0.001612 0.012123 -0.007901 0.154361 0.023262 0.023277 9C 1f0 -0.006415 0.003579 -0.003441 0.089137 0.058069 0.029552 9C 1f+1 -0.004358 -0.003007 0.003676 -0.082409 0.011969 -0.000968 9C 1f-1 -0.005529 0.001542 0.005771 0.028126 0.001179 -0.015299 9C 1f+2 0.002012 -0.002282 0.002340 -0.012417 0.040107 0.042188 9C 1f-2 -0.004002 -0.007630 -0.006850 -0.161995 0.008509 0.000559 9C 1f+3 0.001814 0.000620 -0.008068 -0.016481 0.004053 0.006742 9C 1f-3 0.000273 0.004995 -0.001026 0.060248 -0.018370 -0.018556 10H 1s 0.000939 -0.000764 -0.000671 0.022624 -0.002529 0.016947 10H 2s 0.007807 -0.019370 -0.000907 -0.066183 -0.014302 0.025509 10H 3s -0.019362 -0.002864 0.000245 0.052255 -0.000813 -0.046932 10H 1pz 0.001696 -0.004462 -0.000009 -0.023272 -0.002752 0.006147 10H 1px -0.003202 0.002486 0.001141 0.003142 0.004319 -0.013240 10H 1py 0.000534 -0.003159 0.002524 -0.019210 -0.004083 0.005002 11H 1s 0.002692 -0.001535 -0.004061 -0.042533 0.019514 -0.013008 11H 2s 0.001145 -0.001323 -0.018026 -0.064757 0.012048 -0.032374 11H 3s -0.002618 0.008764 -0.000509 0.012447 0.020578 -0.041808 11H 1pz 0.003099 -0.001145 -0.003511 -0.021313 0.003444 -0.002274 11H 1px 0.001029 -0.000843 -0.003373 -0.023056 0.008551 -0.009619 11H 1py 0.000517 0.002299 0.004876 0.020976 -0.010116 0.008562 12H 1s 0.001580 -0.001875 0.004851 -0.055891 -0.017494 0.018540 12H 2s 0.000795 -0.002921 0.014147 -0.058918 -0.022781 0.019581 12H 3s -0.009401 0.011482 -0.006797 0.005862 -0.011986 -0.035820 12H 1pz 0.001883 0.002434 -0.004060 0.019735 0.007987 -0.004466 12H 1px 0.000362 0.000030 0.001946 -0.022637 -0.005478 0.003505 12H 1py 0.002001 -0.001494 0.004652 -0.029889 -0.012637 0.016528 13H 1s 0.003143 0.000186 0.023512 0.001846 -0.004241 -0.005815 13H 2s -0.003789 0.002260 -0.061170 0.002360 -0.011581 0.013662 13H 3s -0.003918 -0.003528 0.052973 0.002568 -0.008200 0.035749 13H 1pz 0.000283 -0.000481 -0.020231 -0.000417 -0.005225 0.003288 13H 1px 0.000145 -0.000279 -0.006623 -0.002232 0.003149 0.001236 13H 1py -0.000190 0.000916 0.017138 -0.000756 0.000376 -0.000263 14H 1s 0.001475 -0.001977 -0.052977 -0.004340 -0.012662 0.010902 14H 2s -0.000510 0.001493 -0.040461 -0.015168 -0.024443 0.040476 14H 3s -0.007498 -0.012858 -0.002074 0.005851 -0.013747 0.039858 14H 1pz 0.000753 0.000751 -0.006051 -0.002237 -0.007232 0.006856 14H 1px 0.000712 -0.000984 -0.032333 -0.004758 -0.011137 0.013793 14H 1py 0.000645 -0.000261 -0.014890 -0.003743 -0.004569 0.005132 15H 1s -0.002154 -0.002750 -0.029756 0.003569 0.023861 -0.033661 15H 2s -0.007714 -0.008678 -0.043293 0.010958 0.013190 -0.025904 15H 3s -0.000045 -0.008856 0.019285 0.003298 0.023042 0.015499 15H 1pz 0.003013 0.001488 0.018131 -0.003309 -0.013831 0.016965 15H 1px -0.000140 0.000201 0.000663 -0.000756 0.001050 -0.003643 15H 1py 0.001353 0.002305 0.020395 -0.003222 -0.007172 0.017943 16H 1s -0.084922 0.087105 -0.009686 -0.010680 0.001957 -0.004054 16H 2s -0.242604 0.287043 -0.033231 0.014607 0.004641 0.045979 16H 3s 0.020745 -0.027645 0.000531 -0.002917 -0.000838 -0.007011 16H 1pz -0.052777 0.056411 -0.012936 -0.002523 0.000835 0.007715 16H 1px 0.128133 -0.123811 0.026909 0.026840 -0.002012 0.012987 16H 1py -0.209307 0.237953 -0.014956 -0.004407 0.005273 0.007969 17H 1s 0.082874 -0.089974 0.011434 0.005619 -0.001139 -0.005057 17H 2s 0.259466 -0.289035 0.013816 0.037160 -0.007864 0.024457 17H 3s -0.018680 0.025669 -0.000166 0.001182 0.000879 -0.001600 17H 1pz 0.067795 -0.069571 0.015200 0.004908 -0.000913 -0.007607 17H 1px -0.117916 0.114240 -0.028213 -0.031333 0.001967 -0.003949 17H 1py 0.206386 -0.236452 0.012180 0.003526 -0.004111 -0.006892 18H 1s -0.091416 -0.082235 0.010612 0.005593 -0.000946 0.005067 18H 2s -0.284105 -0.262047 0.013821 0.038803 -0.007784 -0.023239 18H 3s 0.020836 0.023517 -0.000028 0.001230 0.000936 0.001193 18H 1pz 0.067974 0.057140 -0.014171 -0.004832 0.000644 -0.007259 18H 1px -0.128702 -0.102912 0.028032 0.032730 -0.002064 -0.004300 18H 1py 0.229318 0.217749 -0.010812 -0.003170 0.003491 -0.007883 19H 1s 0.092721 0.078837 -0.009402 -0.011026 0.001932 0.003930 19H 2s 0.269898 0.264550 -0.029550 0.015272 0.003203 -0.046771 19H 3s -0.024045 -0.026341 0.000512 -0.002854 -0.000523 0.007292 19H 1pz -0.052407 -0.046357 0.011351 0.002259 -0.000521 0.007490 19H 1px 0.141030 0.113788 -0.025225 -0.027099 0.002219 0.013321 19H 1py -0.230746 -0.217260 0.014126 0.004428 -0.004745 0.009142 20H 1s 0.002141 -0.003095 -0.030539 0.003701 0.024530 0.033190 20H 2s 0.007301 -0.009913 -0.044346 0.011201 0.014097 0.026079 20H 3s -0.000738 -0.008504 0.019481 0.003518 0.022757 -0.016343 20H 1pz 0.002950 -0.001971 -0.018672 0.003411 0.014272 0.016813 20H 1px -0.000220 -0.000116 -0.000248 0.000683 -0.001261 -0.003778 20H 1py 0.001327 -0.002499 -0.020742 0.003300 0.007557 0.017874 21H 1s -0.001296 -0.001942 -0.053172 -0.004280 -0.013080 -0.010800 21H 2s 0.001003 0.001239 -0.041591 -0.015064 -0.025204 -0.039966 21H 3s 0.005499 -0.013944 -0.001469 0.005598 -0.014491 -0.039490 21H 1pz 0.000648 -0.000765 0.006709 0.002309 0.007454 0.006751 21H 1px 0.000504 0.001005 0.032599 0.004676 0.011426 0.013554 21H 1py 0.000561 0.000122 0.014918 0.003679 0.004771 0.005194 22H 1s -0.003220 0.000675 0.023075 0.001722 -0.004055 0.006075 22H 2s 0.004438 0.002010 -0.062478 0.002163 -0.011556 -0.012605 22H 3s 0.002757 -0.003925 0.053610 0.002655 -0.008578 -0.035680 22H 1pz 0.000103 0.000349 0.020529 0.000466 0.005209 0.002974 22H 1px 0.000130 0.000259 0.006156 0.002114 -0.003043 0.001507 22H 1py -0.000030 -0.000819 -0.017555 0.000800 -0.000357 -0.000111 23H 1s -0.001729 -0.001969 0.004753 -0.056042 -0.018073 -0.018128 23H 2s -0.001142 -0.003032 0.014262 -0.060974 -0.022696 -0.018558 23H 3s 0.010144 0.011149 -0.006678 0.007606 -0.011286 0.035786 23H 1pz 0.001573 -0.002628 0.004046 -0.019841 -0.008186 -0.004278 23H 1px 0.000323 -0.000028 -0.001841 0.022142 0.005350 0.003134 23H 1py 0.002145 0.001527 -0.004684 0.031042 0.012957 0.016177 24H 1s -0.002852 -0.001295 -0.004200 -0.043566 0.019423 0.012471 24H 2s -0.001206 -0.001074 -0.018254 -0.065387 0.012941 0.032347 24H 3s 0.003282 0.008534 -0.000233 0.012746 0.021235 0.041648 24H 1pz 0.003154 0.000895 0.003539 0.021301 -0.003427 -0.002175 24H 1px 0.001097 0.000743 0.003566 0.024189 -0.008828 -0.009613 24H 1py 0.000268 -0.002223 -0.004917 -0.020877 0.010128 0.008197 25H 1s -0.001089 -0.000668 -0.000598 0.022090 -0.002789 -0.016918 25H 2s -0.009767 -0.018662 -0.000948 -0.067202 -0.014141 -0.024582 25H 3s 0.018435 -0.003920 0.000522 0.052641 0.000668 0.047061 25H 1pz 0.002140 0.004313 0.000092 0.023761 0.002735 0.006008 25H 1px -0.003471 -0.002220 -0.001051 -0.003648 -0.004430 -0.013025 25H 1py 0.000793 0.003045 -0.002500 0.019050 0.004038 0.004628 26O 1s -0.000213 0.000236 -0.000135 -0.001786 -0.000098 0.001030 26O 2s -0.000933 0.001038 -0.000510 -0.005069 -0.000250 0.003480 26O 3s 0.016049 -0.019883 0.007504 0.027464 -0.000348 -0.029190 26O 4s -0.057305 0.066830 -0.024000 -0.067519 0.006140 0.052486 26O 5s -0.096768 0.123083 -0.042384 0.177318 0.024155 -0.109396 26O 1pz 0.001635 0.002558 0.003696 -0.003216 0.012521 -0.011225 26O 1px -0.003973 -0.000740 0.000067 -0.051565 0.005488 0.000785 26O 1py -0.003167 0.000475 -0.009933 -0.020695 -0.020059 0.012738 26O 2pz -0.002722 -0.016007 -0.001435 -0.001075 -0.031474 0.036481 26O 2px 0.046782 -0.036849 0.016192 0.075835 -0.021607 0.015126 26O 2py 0.021985 -0.021122 0.024380 0.027835 0.042253 -0.020007 26O 3pz -0.015424 -0.027262 0.003016 -0.160793 0.008437 -0.067364 26O 3px 0.036536 -0.070456 0.016324 -0.165706 -0.002023 -0.010957 26O 3py 0.006276 -0.067902 -0.015738 -0.166479 -0.033267 -0.019380 26O 1dz2 -0.000566 0.003565 -0.013772 0.068195 -0.034297 0.027398 26O 1dxz 0.002450 -0.002590 0.002681 -0.007812 0.023598 -0.020354 26O 1dyz 0.006678 0.004493 0.012205 0.075287 0.038502 -0.015508 26O 1dx2y2 -0.002568 0.002553 -0.000255 -0.032731 0.022016 -0.013129 26O 1dxy -0.007176 0.006348 -0.016097 -0.007065 -0.060613 0.044757 26O 2dz2 0.008833 -0.008753 0.005857 0.005731 -0.003591 0.005889 26O 2dxz 0.000914 0.005934 -0.001567 0.002915 0.003114 -0.004112 26O 2dyz 0.001449 0.003698 -0.001386 0.036393 0.003842 -0.000134 26O 2dx2y2 -0.011288 0.011004 -0.003264 0.016720 0.003027 -0.005368 26O 2dxy -0.009504 0.015081 -0.003359 0.026730 0.000927 -0.000998 26O 1f0 -0.001633 -0.008191 -0.039419 -0.064899 0.027796 -0.013202 26O 1f+1 0.006627 -0.017651 -0.025704 -0.149502 0.183509 -0.159238 26O 1f-1 -0.000387 -0.003816 -0.013894 -0.147017 0.021751 -0.008791 26O 1f+2 0.008415 0.023135 -0.045546 0.312008 0.025570 0.007652 26O 1f-2 -0.022605 -0.012338 -0.013549 -0.203447 -0.176862 0.089655 26O 1f+3 0.007161 0.008166 0.028506 0.078724 0.076548 -0.048824 26O 1f-3 -0.008783 0.012451 0.008864 0.075688 -0.202131 0.129872 27O 1s 0.000461 -0.000518 -0.002193 0.000153 0.000200 -0.001153 27O 2s 0.001916 -0.001991 -0.006449 0.000496 0.000659 -0.003724 27O 3s -0.028235 0.028202 0.037124 -0.005523 -0.006798 0.029203 27O 4s 0.092777 -0.090196 -0.072987 0.016578 0.020434 -0.043944 27O 5s 0.163596 -0.241429 0.273200 0.025211 -0.015418 0.073718 27O 1pz 0.001502 -0.000369 0.003845 0.007644 -0.021501 0.028503 27O 1px 0.004903 -0.012370 -0.057293 0.003739 -0.000712 -0.002503 27O 1py 0.002151 0.001216 0.007591 0.005787 -0.014778 0.016363 27O 2pz -0.000476 -0.001160 -0.008220 -0.012260 0.051185 -0.070740 27O 2px -0.062634 0.084626 0.062421 -0.011540 -0.000451 -0.013809 27O 2py 0.005523 -0.016056 0.005176 -0.008251 0.032746 -0.033295 27O 3pz 0.009092 -0.016182 -0.067261 0.017040 -0.028359 0.056130 27O 3px -0.086376 0.078636 -0.222730 -0.022587 -0.000256 -0.000854 27O 3py 0.021444 0.019402 0.168542 0.023109 -0.016789 -0.000385 27O 1dz2 -0.005173 0.002546 0.002702 -0.018011 0.053727 -0.058478 27O 1dxz 0.001720 0.003366 0.010122 0.006889 -0.057993 0.074771 27O 1dyz 0.002331 -0.006401 -0.079778 0.007048 -0.002577 0.016446 27O 1dx2y2 0.001704 -0.008347 -0.072516 -0.003926 0.008397 -0.008795 27O 1dxy 0.000975 -0.001903 -0.015187 0.011752 -0.047262 0.063575 27O 2dz2 -0.011890 0.011576 -0.026815 0.001714 0.003810 -0.008294 27O 2dxz -0.001082 0.002835 -0.003342 -0.000251 -0.003371 0.004957 27O 2dyz -0.000426 -0.003160 -0.032770 -0.000217 0.000151 0.003622 27O 2dx2y2 0.016988 -0.020026 0.016041 0.003200 0.002025 0.006521 27O 2dxy -0.009191 0.007072 -0.022439 -0.000206 0.000595 0.000336 27O 1f0 0.001708 -0.001146 -0.019555 0.003678 -0.032068 0.049948 27O 1f+1 0.006861 0.011209 0.061292 -0.021076 -0.267911 0.320293 27O 1f-1 0.006415 -0.003102 -0.043776 0.057922 -0.051707 0.082782 27O 1f+2 -0.010350 0.010860 0.189224 -0.021930 0.130927 -0.162603 27O 1f-2 -0.003616 0.019095 0.357804 0.022961 0.033653 -0.099315 27O 1f+3 -0.011617 -0.006580 -0.105746 0.027699 0.099757 -0.098138 27O 1f-3 0.007146 0.005469 0.086493 -0.014279 -0.165081 0.192363 28O 1s 0.000645 0.000409 -0.000056 0.002369 0.000059 0.000999 28O 2s 0.002575 0.001683 -0.000231 0.007028 0.000198 0.003381 28O 3s -0.036693 -0.027450 0.003855 -0.043076 -0.002889 -0.028536 28O 4s 0.121575 0.096375 -0.011401 0.085711 0.012693 0.053252 28O 5s 0.185343 0.249504 -0.034010 -0.307699 -0.001834 -0.144427 28O 1pz 0.003436 0.006137 -0.004273 0.033767 0.013146 -0.006292 28O 1px -0.004530 -0.008680 -0.002513 -0.049093 0.006690 -0.008829 28O 1py -0.003076 0.001140 0.006766 0.004058 -0.020134 0.012148 28O 2pz -0.047280 -0.057051 0.010858 -0.025357 -0.031244 0.029730 28O 2px 0.060117 0.069030 -0.002002 0.063073 -0.010416 0.007824 28O 2py 0.001874 -0.009541 -0.009263 -0.000045 0.044022 -0.023630 28O 3pz -0.079565 -0.040281 0.024452 0.240876 0.020085 -0.045415 28O 3px 0.094456 0.074944 -0.024763 -0.124202 0.009762 -0.028037 28O 3py -0.017856 0.018748 0.023234 0.105110 -0.022269 -0.012512 28O 1dz2 -0.002202 -0.003576 0.006555 -0.032837 0.006665 -0.006158 28O 1dxz -0.005953 -0.002387 0.008094 -0.058849 -0.039021 0.025712 28O 1dyz -0.002940 -0.003698 -0.002421 -0.075766 -0.022031 0.023800 28O 1dx2y2 -0.001069 0.006272 0.012341 0.032246 -0.046779 0.036074 28O 1dxy 0.003152 -0.002469 -0.009826 -0.038540 0.057675 -0.032967 28O 2dz2 0.001533 0.000671 -0.002181 -0.017949 -0.003513 0.001854 28O 2dxz -0.023531 -0.023080 0.002266 0.024324 -0.002341 0.006977 28O 2dyz 0.002305 0.000206 0.000148 -0.033251 -0.000679 0.001919 28O 2dx2y2 0.014195 0.013985 -0.004242 -0.019319 -0.000451 -0.001879 28O 2dxy -0.003207 -0.003555 0.000483 -0.012583 0.000177 -0.000037 28O 1f0 0.006130 -0.003078 0.074040 0.054617 0.128018 -0.104833 28O 1f+1 0.001753 -0.001555 0.016834 0.096049 0.080883 -0.056328 28O 1f-1 0.004980 0.016656 0.008307 0.317715 -0.033253 0.013807 28O 1f+2 0.002714 0.003081 0.035333 -0.054732 -0.044637 0.044414 28O 1f-2 -0.005764 0.002337 0.020145 -0.052134 -0.097949 0.089607 28O 1f+3 0.025568 -0.004586 0.013978 0.116187 0.216348 -0.141393 28O 1f-3 -0.008337 0.011701 -0.013120 0.236961 -0.152449 0.073796 29O 1s -0.000120 -0.000024 -0.000040 0.000214 -0.000018 0.000210 29O 2s -0.000412 -0.000020 -0.000084 0.000564 -0.000073 0.000596 29O 3s 0.004895 -0.000734 -0.000182 -0.003010 0.000944 -0.003819 29O 4s -0.011679 0.002630 0.000546 0.008214 -0.003090 0.011913 29O 5s 0.005621 0.001522 0.015594 -0.057697 0.005435 -0.067302 29O 1pz 0.068757 -0.072921 0.008616 0.005288 -0.001438 -0.001192 29O 1px 0.024628 -0.028414 0.002408 0.002839 -0.000290 0.001034 29O 1py -0.006387 0.006915 -0.000200 -0.001814 0.000168 0.001020 29O 2pz -0.342802 0.370000 -0.043097 -0.025782 0.006974 0.008922 29O 2px -0.125959 0.140083 -0.012572 -0.016315 0.002493 -0.006930 29O 2py 0.033275 -0.035319 0.000507 0.010998 -0.000589 0.001354 29O 3pz -0.131711 0.172958 0.004066 0.017514 0.004704 0.014275 29O 3px -0.057669 0.064199 0.005018 0.011609 0.000466 0.006545 29O 3py 0.019135 -0.018630 -0.018061 0.026641 -0.001798 0.035247 29O 1dz2 0.006121 -0.008521 -0.004789 -0.006119 -0.000772 0.001136 29O 1dxz -0.006981 0.018794 0.008518 0.009981 -0.000325 0.005895 29O 1dyz -0.009594 0.017610 0.007540 0.010002 0.000131 0.003474 29O 1dx2y2 -0.005625 0.007103 0.004569 0.007043 0.000933 -0.000502 29O 1dxy -0.001097 0.002803 0.001127 0.003486 0.000677 -0.003027 29O 2dz2 0.072538 -0.080884 0.008391 0.004100 -0.001698 -0.002889 29O 2dxz -0.066395 0.075259 -0.006348 -0.005243 0.001464 0.002846 29O 2dyz 0.113447 -0.122578 0.014410 0.010992 -0.002171 -0.002652 29O 2dx2y2 -0.020596 0.023693 -0.002187 -0.000174 0.000289 0.001157 29O 2dxy 0.051848 -0.056199 0.007795 0.004710 -0.001256 0.002462 29O 1f0 -0.463331 0.516363 -0.038416 -0.020261 0.009975 0.012885 29O 1f+1 -0.469022 0.474433 -0.080055 -0.068423 0.007140 -0.018323 29O 1f-1 0.149170 -0.164426 0.021749 0.011760 -0.002796 -0.008096 29O 1f+2 -0.210642 0.272159 0.026995 0.038810 0.006438 0.018386 29O 1f-2 0.040078 -0.064072 -0.008054 -0.016151 -0.000898 -0.022496 29O 1f+3 0.038120 -0.072939 -0.016890 -0.032596 -0.000100 -0.019881 29O 1f-3 -0.019642 0.033144 0.013003 0.019383 0.001922 -0.009341 30O 1s -0.000060 -0.000098 0.002169 -0.000012 -0.000023 -0.001060 30O 2s -0.000403 -0.000488 0.006435 0.000036 -0.000048 -0.003461 30O 3s 0.010066 0.011375 -0.043110 -0.003630 -0.000831 0.027225 30O 4s -0.041863 -0.033186 0.106189 0.017805 0.003669 -0.042040 30O 5s -0.070920 -0.116011 -0.216143 0.072154 0.001081 0.068206 30O 1pz -0.000048 -0.000472 0.026103 -0.006192 -0.022252 0.023230 30O 1px 0.003162 -0.002800 -0.044632 -0.002493 -0.002460 0.010511 30O 1py 0.001258 -0.000713 -0.027645 -0.004968 -0.014951 0.018983 30O 2pz 0.015253 0.018159 -0.037542 -0.001709 0.048213 -0.066313 30O 2px -0.032084 -0.010590 0.077701 0.016874 0.006451 -0.011915 30O 2py -0.018225 -0.016677 0.038080 0.019235 0.036666 -0.034334 30O 3pz -0.003137 0.029781 0.140340 -0.024672 -0.033015 0.049044 30O 3px -0.017175 -0.039263 -0.060058 0.015506 -0.007821 0.015509 30O 3py 0.000418 -0.074545 -0.197550 -0.003767 -0.012961 0.007199 30O 1dz2 -0.000022 0.004237 0.019722 0.002173 -0.025531 0.040570 30O 1dxz -0.002061 -0.002525 -0.043488 0.015268 0.075005 -0.086942 30O 1dyz -0.000088 0.010227 0.050312 -0.006969 -0.011843 0.020521 30O 1dx2y2 -0.002874 -0.000040 0.036146 0.007985 0.014960 -0.021076 30O 1dxy -0.007675 0.003849 0.077913 0.006368 0.048828 -0.059451 30O 2dz2 0.002640 0.002115 0.014520 -0.002565 0.000540 0.000155 30O 2dxz 0.007234 0.008090 0.008699 -0.005602 0.002453 -0.011149 30O 2dyz 0.004838 0.011327 0.042628 -0.002319 -0.004540 0.002708 30O 2dx2y2 -0.003622 0.000235 0.003936 -0.000160 -0.000937 0.003419 30O 2dxy -0.008355 -0.008353 0.005116 0.002879 0.002299 0.002873 30O 1f0 0.011041 -0.028962 -0.224122 0.027215 -0.140221 0.174774 30O 1f+1 -0.001730 0.021689 0.166018 0.004471 -0.160444 0.206857 30O 1f-1 0.005504 -0.012195 -0.114348 -0.067463 0.020278 -0.039259 30O 1f+2 -0.006354 -0.012339 -0.126850 0.001181 0.205581 -0.260069 30O 1f-2 -0.000964 0.005812 0.002256 -0.014393 -0.045412 0.066049 30O 1f+3 -0.000240 0.026619 0.241207 -0.008763 -0.060336 0.081308 30O 1f-3 0.017385 -0.022831 -0.180277 0.034820 -0.193764 0.207766 31O 1s 0.000042 -0.000115 0.002167 -0.000008 -0.000009 0.001057 31O 2s 0.000349 -0.000571 0.006427 0.000049 -0.000005 0.003451 31O 3s -0.009518 0.012990 -0.043015 -0.003821 -0.001125 -0.027072 31O 4s 0.041453 -0.039375 0.105732 0.018354 0.003938 0.041419 31O 5s 0.066373 -0.127878 -0.214437 0.073401 0.000187 -0.068093 31O 1pz 0.000143 0.000547 -0.026061 0.006177 0.022766 0.022851 31O 1px 0.003101 0.002260 0.044616 0.002476 0.002636 0.010332 31O 1py 0.001341 0.000490 0.027698 0.004959 0.015323 0.018504 31O 2pz 0.014529 -0.020392 0.037509 0.001903 -0.049638 -0.065606 31O 2px -0.031795 0.015306 -0.077763 -0.017037 -0.006598 -0.011337 31O 2py -0.018180 0.019131 -0.038332 -0.019409 -0.037330 -0.032986 31O 3pz -0.002557 -0.030864 -0.140192 0.025397 0.033931 0.048389 31O 3px -0.016235 0.043756 0.059620 -0.016150 0.008023 0.014985 31O 3py 0.004374 0.075631 0.197573 0.003256 0.013492 0.006006 31O 1dz2 0.000173 0.004280 0.019756 0.002116 -0.026409 -0.040109 31O 1dxz 0.002129 -0.002555 -0.043374 0.015361 0.076834 0.085326 31O 1dyz 0.000616 0.010137 0.050129 -0.007027 -0.012221 -0.020365 31O 1dx2y2 0.002873 -0.000513 0.036200 0.007965 0.015406 0.020738 31O 1dxy 0.007524 0.003146 0.078046 0.006378 0.050096 0.058233 31O 2dz2 -0.002580 0.002494 0.014478 -0.002584 0.000536 -0.000164 31O 2dxz -0.007064 0.009178 0.008672 -0.005691 0.002674 0.011141 31O 2dyz -0.004519 0.011836 0.042600 -0.002437 -0.004570 -0.002658 31O 2dx2y2 0.003656 -0.000501 0.003994 -0.000147 -0.000986 -0.003410 31O 2dxy 0.008128 -0.009433 0.005207 0.002986 0.002235 -0.003030 31O 1f0 0.012575 0.028193 0.224614 -0.026513 0.143758 0.171050 31O 1f+1 -0.002038 -0.021004 -0.165619 -0.003855 0.164806 0.203890 31O 1f-1 0.005600 0.010917 0.114056 0.066596 -0.020858 -0.038875 31O 1f+2 -0.006322 0.012263 0.126133 -0.001991 -0.210857 -0.255615 31O 1f-2 -0.001209 -0.005373 -0.002125 0.014523 0.046852 0.065176 31O 1f+3 -0.000569 -0.026093 -0.240867 0.009179 0.062175 0.080659 31O 1f-3 0.018732 0.021892 0.180834 -0.034046 0.198316 0.203131 32O 1s 0.000130 0.000011 -0.000024 0.000220 -0.000022 -0.000209 32O 2s 0.000458 0.000094 -0.000041 0.000582 -0.000088 -0.000592 32O 3s -0.005497 -0.001775 -0.000441 -0.003083 0.001067 0.003773 32O 4s 0.013978 0.005762 0.001081 0.008342 -0.003503 -0.011746 32O 5s -0.011206 -0.006979 0.012353 -0.059295 0.007009 0.066905 32O 1pz 0.075579 0.066508 -0.008188 -0.005484 0.001341 -0.001293 32O 1px 0.027178 0.025883 -0.002108 -0.002771 0.000273 0.001018 32O 1py -0.004883 -0.004314 0.000056 0.001739 -0.000118 0.001019 32O 2pz -0.377593 -0.338004 0.040600 0.026752 -0.006367 0.009346 32O 2px -0.137429 -0.126368 0.011581 0.016508 -0.002421 -0.006792 32O 2py 0.026187 0.022524 0.000090 -0.010732 0.000419 0.001441 32O 3pz -0.147481 -0.159223 -0.005002 -0.017127 -0.004006 0.014839 32O 3px -0.064588 -0.061087 -0.005824 -0.011633 0.000049 0.006625 32O 3py 0.015954 0.012131 0.017112 -0.027420 0.002382 0.035334 32O 1dz2 -0.007028 -0.008347 -0.004901 -0.006605 -0.000750 -0.000771 32O 1dxz 0.009173 0.018008 0.008206 0.010187 -0.000530 -0.006164 32O 1dyz 0.011527 0.016872 0.007300 0.010346 -0.000010 -0.003767 32O 1dx2y2 0.006490 0.006899 0.004477 0.006960 0.000870 0.000314 32O 1dxy 0.001528 0.003086 0.001240 0.003856 0.000722 0.002784 32O 2dz2 -0.074494 -0.069035 0.007148 0.003645 -0.001441 0.002979 32O 2dxz 0.076354 0.071486 -0.006388 -0.005676 0.001327 -0.003086 32O 2dyz -0.126703 -0.113504 0.013754 0.011439 -0.002011 0.002813 32O 2dx2y2 0.026307 0.024929 -0.002277 -0.000384 0.000271 -0.001239 32O 2dxy -0.054279 -0.048672 0.007303 0.004750 -0.001171 -0.002472 32O 1f0 -0.522272 -0.481121 0.038299 0.022712 -0.009168 0.014399 32O 1f+1 -0.509330 -0.428690 0.074401 0.068537 -0.007005 -0.018315 32O 1f-1 0.121879 0.109394 -0.019486 -0.012066 0.001773 -0.006946 32O 1f+2 -0.240416 -0.257248 -0.028140 -0.041122 -0.005361 0.021473 32O 1f-2 0.021732 0.036803 0.009334 0.017230 -0.000016 -0.022827 32O 1f+3 0.047599 0.071767 0.018045 0.034654 -0.000678 -0.021093 32O 1f-3 -0.016988 -0.025240 -0.012746 -0.018660 -0.001677 -0.009680 33O 1s -0.000591 0.000442 -0.000053 0.002362 0.000025 -0.001003 33O 2s -0.002360 0.001822 -0.000221 0.007008 0.000084 -0.003394 33O 3s 0.033282 -0.029663 0.003740 -0.043033 -0.001937 0.028697 33O 4s -0.109513 0.104134 -0.011105 0.086037 0.010878 -0.053943 33O 5s -0.159047 0.262470 -0.033777 -0.309071 0.002498 0.144224 33O 1pz 0.002910 -0.006568 0.004274 -0.033752 -0.013242 -0.005967 33O 1px -0.003670 0.008922 0.002508 0.048831 -0.006839 -0.008817 33O 1py -0.003184 -0.000764 -0.006714 -0.004024 0.020217 0.011811 33O 2pz -0.041261 0.061026 -0.010736 0.025483 0.031862 0.028756 33O 2px 0.052597 -0.073276 0.001930 -0.062441 0.010337 0.007998 33O 2py 0.002859 0.009317 0.009217 -0.000097 -0.044059 -0.022900 33O 3pz -0.073503 0.044146 -0.024493 -0.238506 -0.020822 -0.043551 33O 3px 0.085022 -0.080058 0.024725 0.124134 -0.010430 -0.028311 33O 3py -0.019402 -0.017664 -0.023629 -0.104603 0.021674 -0.011926 33O 1dz2 0.001749 -0.003810 0.006518 -0.032792 0.006740 0.006173 33O 1dxz 0.005740 -0.003143 0.007989 -0.058778 -0.039479 -0.025027 33O 1dyz 0.002354 -0.003851 -0.002417 -0.076030 -0.022518 -0.023305 33O 1dx2y2 0.001666 0.005985 0.012220 0.032294 -0.047244 -0.035289 33O 1dxy -0.003243 -0.002157 -0.009670 -0.038446 0.057837 0.032009 33O 2dz2 -0.001410 0.000833 -0.002174 -0.017780 -0.003577 -0.001819 33O 2dxz 0.020933 -0.024834 0.002230 0.024182 -0.002565 -0.006898 33O 2dyz -0.002296 0.000499 0.000164 -0.033355 -0.000735 -0.001866 33O 2dx2y2 -0.012623 0.014962 -0.004244 -0.019225 -0.000324 0.001923 33O 2dxy 0.002822 -0.003923 0.000463 -0.012540 0.000105 0.000047 33O 1f0 0.006758 0.002863 -0.074375 -0.052605 -0.129812 -0.102641 33O 1f+1 0.002036 0.001369 -0.016835 -0.095432 -0.081616 -0.054707 33O 1f-1 0.002896 -0.016832 -0.008694 -0.317285 0.032579 0.013622 33O 1f+2 0.002607 -0.002555 -0.034996 0.055969 0.045886 0.043864 33O 1f-2 -0.005627 -0.001469 -0.019863 0.053219 0.099738 0.088030 33O 1f+3 0.025871 0.002504 -0.014441 -0.115166 -0.217927 -0.137375 33O 1f-3 -0.009669 -0.010924 0.013381 -0.237252 0.152298 0.071380 34O 1s -0.000472 -0.000443 -0.002198 0.000155 0.000217 0.001148 34O 2s -0.001973 -0.001693 -0.006467 0.000503 0.000712 0.003706 34O 3s 0.029359 0.023983 0.037434 -0.005552 -0.007147 -0.028900 34O 4s -0.096397 -0.076380 -0.074231 0.016570 0.020712 0.042832 34O 5s -0.180897 -0.220025 0.272420 0.024747 -0.016870 -0.072663 34O 1pz 0.001678 0.000462 -0.003783 -0.007525 0.022075 0.028084 34O 1px 0.005637 0.011822 0.057261 -0.003735 0.000730 -0.002620 34O 1py 0.002081 -0.001448 -0.007581 -0.005718 0.015110 0.016043 34O 2pz -0.000732 0.000498 0.008110 0.012079 -0.052613 -0.069724 34O 2px -0.068042 -0.076498 -0.062866 0.011369 -0.000081 -0.013855 34O 2py 0.006709 0.015475 -0.005044 0.008224 -0.033436 -0.032549 34O 3pz 0.010011 0.015273 0.066916 -0.017436 0.029408 0.055207 34O 3px -0.088947 -0.064241 0.221293 0.022199 -0.000184 -0.001650 34O 3py 0.018313 -0.023730 -0.167853 -0.023434 0.017182 0.000396 34O 1dz2 0.005662 0.002505 0.002816 -0.017601 0.055032 0.057380 34O 1dxz -0.001737 0.003327 0.010039 0.006731 -0.059510 -0.073509 34O 1dyz -0.002410 -0.006135 -0.079852 0.006951 -0.002814 -0.016235 34O 1dx2y2 -0.001818 -0.007963 -0.072578 -0.003745 0.008579 0.008764 34O 1dxy -0.000898 -0.001810 -0.015361 0.011554 -0.048578 -0.062543 34O 2dz2 0.012721 0.010048 -0.026693 0.001777 0.004006 0.008295 34O 2dxz 0.001252 0.002563 -0.003291 -0.000185 -0.003486 -0.004871 34O 2dyz 0.000406 -0.003142 -0.032828 -0.000223 0.000102 -0.003574 34O 2dx2y2 -0.018183 -0.017628 0.015828 0.003159 0.001855 -0.006695 34O 2dxy 0.009773 0.006080 -0.022375 -0.000153 0.000584 -0.000327 34O 1f0 0.001922 0.000989 0.019636 -0.003641 0.032771 0.048959 34O 1f+1 0.006771 -0.011175 -0.060759 0.021382 0.274792 0.314833 34O 1f-1 0.006602 0.003048 0.044243 -0.057114 0.053338 0.081605 34O 1f+2 -0.010261 -0.009839 -0.189581 0.021504 -0.134253 -0.159295 34O 1f-2 -0.002740 -0.017900 -0.357596 -0.022597 -0.035264 -0.097648 34O 1f+3 -0.011776 0.007942 0.105733 -0.027616 -0.101978 -0.096243 34O 1f-3 0.007129 -0.006161 -0.086076 0.014517 0.169169 0.189028 35O 1s 0.000238 0.000220 -0.000136 -0.001774 -0.000134 -0.001029 35O 2s 0.001045 0.000965 -0.000511 -0.005025 -0.000369 -0.003482 35O 3s -0.018203 -0.018622 0.007386 0.026768 0.000708 0.029352 35O 4s 0.064905 0.062489 -0.023288 -0.064801 0.004110 -0.053067 35O 5s 0.106596 0.115082 -0.041641 0.177988 0.026332 0.108662 35O 1pz 0.001419 -0.002633 -0.003783 0.003355 -0.012739 -0.011048 35O 1px -0.003715 0.001050 -0.000103 0.051431 -0.005381 0.000755 35O 1py -0.003316 -0.000299 0.009929 0.020571 0.020157 0.012286 35O 2pz -0.001144 0.015908 0.001663 0.000802 0.032184 0.036044 35O 2px 0.050001 0.033028 -0.015686 -0.074549 0.021644 0.014901 35O 2py 0.024301 0.019346 -0.024164 -0.027073 -0.042271 -0.019049 35O 3pz -0.011349 0.028477 -0.002812 0.160457 -0.010013 -0.068207 35O 3px 0.044973 0.069011 -0.015715 0.165991 0.001514 -0.011849 35O 3py 0.013557 0.067785 0.016096 0.167160 0.032177 -0.021304 35O 1dz2 0.001005 0.003502 -0.013970 0.067904 -0.034812 -0.026930 35O 1dxz -0.002820 -0.002524 0.002673 -0.007998 0.024008 0.020042 35O 1dyz -0.006244 0.004962 0.012190 0.075052 0.038425 0.014639 35O 1dx2y2 0.002932 0.002435 -0.000189 -0.032870 0.022054 0.012835 35O 1dxy 0.007657 0.005478 -0.016189 -0.007098 -0.061149 -0.043641 35O 2dz2 -0.009706 -0.008057 0.005726 0.005457 -0.003732 -0.005829 35O 2dxz -0.000234 0.005830 -0.001578 0.002965 0.003174 0.004024 35O 2dyz -0.001055 0.003686 -0.001400 0.036458 0.003760 -0.000041 35O 2dx2y2 0.012388 0.010192 -0.003142 0.016803 0.003117 0.005247 35O 2dxy 0.010986 0.014137 -0.003236 0.026969 0.000943 0.000894 35O 1f0 -0.001024 0.008110 0.039422 0.063918 -0.028029 -0.013015 35O 1f+1 0.008057 0.016123 0.025153 0.147129 -0.186652 -0.156736 35O 1f-1 -0.000228 0.003642 0.014071 0.145905 -0.021898 -0.008736 35O 1f+2 0.005682 -0.024067 0.045311 -0.312562 -0.024354 0.009085 35O 1f-2 -0.021446 0.014304 0.014099 0.202944 0.176705 0.085701 35O 1f+3 0.006308 -0.008572 -0.028653 -0.077979 -0.076828 -0.047225 35O 1f-3 -0.009823 -0.010925 -0.008534 -0.074232 0.203749 0.126507 648 649 650 651 652 653 5.49272 5.49956 5.53335 5.53478 5.56714 5.56827 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s 0.000005 0.000019 -0.000038 0.000057 0.000872 0.001126 0Rh 2s 0.000101 -0.000225 0.000680 -0.000612 -0.010283 -0.016950 0Rh 3s 0.000091 -0.000020 0.000173 -0.000021 -0.000836 -0.003268 0Rh 4s -0.000536 0.001327 -0.003923 0.003646 0.060874 0.099022 0Rh 5s 0.001566 -0.003526 0.010618 -0.009783 -0.163455 -0.268665 0Rh 6s -0.002774 0.004564 -0.014896 0.012694 0.217579 0.365997 0Rh 7s 0.006179 -0.013459 0.029919 -0.024365 -0.567617 -0.951579 0Rh 8s -0.002185 0.010800 0.037846 -0.029936 0.190609 -0.265155 0Rh 1pz -0.009410 0.000770 -0.001677 -0.047954 -0.008257 -0.001245 0Rh 1px -0.004130 0.001094 -0.009500 -0.013598 0.028968 0.006431 0Rh 1py 0.004995 0.000505 0.050140 -0.004067 0.006356 0.002400 0Rh 2pz 0.038892 -0.003176 0.006906 0.197757 0.034053 0.005161 0Rh 2px 0.017073 -0.004513 0.039204 0.056052 -0.119487 -0.026630 0Rh 2py -0.020648 -0.002072 -0.206752 0.016769 -0.026217 -0.009950 0Rh 3pz -0.122262 0.009880 -0.021121 -0.612521 -0.105392 -0.016370 0Rh 3px -0.053768 0.013989 -0.121984 -0.173111 0.370109 0.084269 0Rh 3py 0.064947 0.006182 0.640033 -0.051866 0.081222 0.031798 0Rh 4pz 0.152833 -0.012035 0.024375 0.737294 0.127111 0.020417 0Rh 4px 0.067428 -0.016976 0.148609 0.206716 -0.446512 -0.105569 0Rh 4py -0.081093 -0.006749 -0.769303 0.061972 -0.097914 -0.040828 0Rh 5pz -0.083293 0.006019 -0.008623 -0.344608 -0.063273 -0.009620 0Rh 5px -0.036750 0.008666 -0.073156 -0.092381 0.219377 0.054259 0Rh 5py 0.043318 0.001621 0.356340 -0.027203 0.047606 0.022826 0Rh 6pz 0.092303 -0.015655 -0.005707 0.278337 0.072201 -0.100517 0Rh 6px 0.029813 -0.011938 0.065567 0.046619 -0.193331 0.217285 0Rh 6py -0.035094 0.012827 -0.230294 0.001517 -0.044462 0.039934 0Rh 1dz2 0.000393 -0.003269 0.000476 -0.003251 -0.005098 -0.008824 0Rh 1dxz 0.000277 -0.001706 0.000629 0.003559 -0.006479 -0.012381 0Rh 1dyz -0.000687 0.002180 0.000610 -0.000642 -0.001468 -0.002288 0Rh 1dx2y2 -0.000464 -0.001935 0.000545 0.001648 0.010099 0.018666 0Rh 1dxy 0.000006 -0.000179 -0.006035 0.000371 0.004070 0.007492 0Rh 2dz2 0.000211 -0.000570 -0.000046 0.001571 0.002835 0.004378 0Rh 2dxz -0.000385 -0.000163 -0.000147 -0.002178 0.003591 0.005990 0Rh 2dyz -0.000115 0.000051 -0.000542 -0.000031 0.000784 0.000973 0Rh 2dx2y2 -0.000008 -0.000570 -0.000575 -0.000859 -0.005481 -0.008922 0Rh 2dxy 0.000194 -0.000131 0.002954 -0.000307 -0.002095 -0.003507 0Rh 3dz2 -0.002903 0.018346 -0.002085 0.008334 0.011390 0.022198 0Rh 3dxz 0.000508 0.008953 -0.002371 -0.006935 0.014562 0.031979 0Rh 3dyz 0.003910 -0.010707 -0.000343 0.003327 0.003443 0.006549 0Rh 3dx2y2 0.002315 0.011950 0.000120 -0.003928 -0.023219 -0.048638 0Rh 3dxy -0.000958 0.001474 0.015324 -0.000327 -0.009931 -0.019931 0Rh 4dz2 0.007044 -0.038092 0.004034 -0.009732 -0.010082 -0.025121 0Rh 4dxz -0.003297 -0.018137 0.004454 0.003680 -0.013016 -0.038062 0Rh 4dyz -0.009035 0.021069 -0.002351 -0.007431 -0.003419 -0.009036 0Rh 4dx2y2 -0.005279 -0.025668 -0.003487 0.004111 0.021817 0.058318 0Rh 4dxy 0.003048 -0.003479 -0.017732 -0.000858 0.010681 0.024888 0Rh 5dz2 -0.017418 0.051592 -0.003880 -0.010437 -0.043790 -0.039774 0Rh 5dxz 0.017965 0.023187 -0.006211 0.025658 -0.056306 -0.046828 0Rh 5dyz 0.019988 -0.025532 0.015246 0.007548 -0.011590 -0.003065 0Rh 5dx2y2 0.014892 0.038021 0.015496 0.005837 0.082859 0.070859 0Rh 5dxy -0.011007 0.006182 -0.013204 0.004019 0.027825 0.023522 0Rh 1f0 0.002603 -0.001397 -0.005055 -0.000502 -0.001105 0.000806 0Rh 1f+1 0.003025 0.001039 -0.000526 0.003939 0.000682 -0.000101 0Rh 1f-1 0.000191 0.000588 -0.006054 0.007338 -0.000025 0.000006 0Rh 1f+2 0.000136 0.000536 -0.002046 -0.009492 0.000997 -0.000190 0Rh 1f-2 -0.001118 -0.000930 -0.006386 -0.000969 0.000114 0.000045 0Rh 1f+3 0.001174 -0.001343 0.004417 0.004127 0.001692 -0.000825 0Rh 1f-3 -0.000815 -0.000220 -0.003700 -0.000476 0.000643 -0.000092 1Rh 1s -0.000003 0.000018 0.000035 -0.000055 0.000873 -0.001120 1Rh 2s -0.000127 -0.000223 -0.000645 0.000600 -0.010306 0.016900 1Rh 3s -0.000092 -0.000021 -0.000175 0.000022 -0.000845 0.003274 1Rh 4s 0.000692 0.001314 0.003709 -0.003574 0.061007 -0.098719 1Rh 5s -0.001978 -0.003493 -0.010052 0.009590 -0.163825 0.267866 1Rh 6s 0.003285 0.004530 0.014206 -0.012451 0.218126 -0.365048 1Rh 7s -0.006890 -0.013400 -0.028682 0.024118 -0.569088 0.949559 1Rh 8s 0.002025 0.010380 -0.037960 0.029252 0.189618 0.265669 1Rh 1pz -0.009385 -0.000574 -0.001694 -0.047998 0.008253 -0.001357 1Rh 1px -0.004226 -0.001064 -0.009510 -0.013592 -0.029000 0.006341 1Rh 1py 0.004893 -0.000366 0.050182 -0.004098 -0.006317 0.002337 1Rh 2pz 0.038790 0.002369 0.006973 0.197940 -0.034038 0.005620 1Rh 2px 0.017471 0.004386 0.039247 0.056028 0.119622 -0.026258 1Rh 2py -0.020231 0.001499 -0.206927 0.016898 0.026057 -0.009696 1Rh 3pz -0.121954 -0.007388 -0.021331 -0.613077 0.105354 -0.017789 1Rh 3px -0.054989 -0.013597 -0.122123 -0.173049 -0.370530 0.083109 1Rh 3py 0.063669 -0.004420 0.640564 -0.052263 -0.080733 0.031037 1Rh 4pz 0.152485 0.009040 0.024630 0.737929 -0.127090 0.022114 1Rh 4px 0.068869 0.016503 0.148791 0.206675 0.447024 -0.104149 1Rh 4py -0.079587 0.004657 -0.769908 0.062436 0.097348 -0.040000 1Rh 5pz -0.083175 -0.004589 -0.008717 -0.344854 0.063317 -0.010393 1Rh 5px -0.037358 -0.008439 -0.073259 -0.092422 -0.219627 0.053520 1Rh 5py 0.042627 -0.000686 0.356538 -0.027408 -0.047402 0.022635 1Rh 6pz 0.092584 0.014225 -0.007816 0.280208 -0.072374 -0.099377 1Rh 6px 0.029465 0.011687 0.064840 0.046946 0.193261 0.218297 1Rh 6py -0.032972 -0.013050 -0.230128 0.004400 0.045004 0.039123 1Rh 1dz2 -0.000424 -0.003301 -0.000479 0.003230 -0.005136 0.008836 1Rh 1dxz -0.000285 -0.001662 -0.000628 -0.003565 -0.006503 0.012380 1Rh 1dyz 0.000643 0.002171 -0.000635 0.000641 -0.001527 0.002340 1Rh 1dx2y2 0.000466 -0.001931 -0.000563 -0.001658 0.010127 -0.018642 1Rh 1dxy -0.000003 -0.000148 0.006021 -0.000354 0.004086 -0.007460 1Rh 2dz2 -0.000197 -0.000563 0.000046 -0.001571 0.002853 -0.004384 1Rh 2dxz 0.000392 -0.000178 0.000145 0.002178 0.003602 -0.005983 1Rh 2dyz 0.000134 0.000050 0.000537 0.000039 0.000810 -0.000998 1Rh 2dx2y2 -0.000000 -0.000574 0.000588 0.000857 -0.005495 0.008908 1Rh 2dxy -0.000193 -0.000144 -0.002952 0.000307 -0.002099 0.003493 1Rh 3dz2 0.002985 0.018470 0.002104 -0.008228 0.011488 -0.022234 1Rh 3dxz -0.000510 0.008814 0.002377 0.006962 0.014624 -0.032013 1Rh 3dyz -0.003788 -0.010660 0.000489 -0.003360 0.003612 -0.006687 1Rh 3dx2y2 -0.002282 0.011947 -0.000093 0.003984 -0.023290 0.048589 1Rh 3dxy 0.000934 0.001388 -0.015264 0.000246 -0.009991 0.019836 1Rh 4dz2 -0.007143 -0.038315 -0.004103 0.009527 -0.010203 0.025170 1Rh 4dxz 0.003346 -0.017921 -0.004475 -0.003726 -0.013095 0.038176 1Rh 4dyz 0.008872 0.020965 0.002007 0.007543 -0.003648 0.009211 1Rh 4dx2y2 0.005161 -0.025677 0.003482 -0.004236 0.021902 -0.058287 1Rh 4dxy -0.002996 -0.003360 0.017604 0.001028 0.010788 -0.024752 1Rh 5dz2 0.017330 0.051787 0.004207 0.010567 -0.043938 0.039834 1Rh 5dxz -0.018203 0.023062 0.006278 -0.025671 -0.056373 0.046436 1Rh 5dyz -0.020017 -0.025383 -0.014524 -0.007939 -0.011756 0.003317 1Rh 5dx2y2 -0.014529 0.038089 -0.015695 -0.005617 0.082960 -0.070601 1Rh 5dxy 0.010961 0.006153 0.013432 -0.004225 0.027656 -0.023446 1Rh 1f0 0.002640 0.001377 -0.005064 -0.000489 0.001095 0.000828 1Rh 1f+1 0.003025 -0.001075 -0.000522 0.003949 -0.000671 -0.000103 1Rh 1f-1 0.000223 -0.000655 -0.006092 0.007372 0.000015 0.000070 1Rh 1f+2 0.000151 -0.000481 -0.002017 -0.009514 -0.000995 -0.000218 1Rh 1f-2 -0.001101 0.000914 -0.006381 -0.000956 -0.000105 0.000041 1Rh 1f+3 0.001151 0.001327 0.004396 0.004135 -0.001685 -0.000827 1Rh 1f-3 -0.000799 0.000216 -0.003717 -0.000445 -0.000638 -0.000082 2C 1s -0.000310 -0.000302 0.005545 -0.009461 -0.006171 0.001557 2C 2s 0.000058 -0.000745 0.007980 -0.013569 -0.011523 0.001758 2C 3s -0.018429 0.008692 0.123667 -0.219002 0.002798 0.032213 2C 4s 0.088471 -0.025339 -0.887910 1.561066 0.400613 -0.179850 2C 5s -0.286018 0.010008 0.565513 -1.082814 -0.642298 0.000299 2C 1pz -0.001004 0.003649 -0.016820 0.029419 0.042630 -0.009438 2C 1px -0.000658 0.000102 -0.002574 0.005077 0.004871 0.024678 2C 1py 0.002170 -0.000090 -0.013629 0.020781 0.030371 0.003341 2C 2pz 0.045598 -0.027486 -0.466472 0.803903 0.251555 0.071455 2C 2px 0.017609 0.000781 -0.142655 0.236267 0.137256 -0.222368 2C 2py 0.004444 0.006039 -0.268953 0.512409 0.125226 -0.033111 2C 3pz -0.071582 0.015577 0.103550 -0.196678 -0.172316 -0.020218 2C 3px -0.026901 0.013965 0.034298 -0.057751 -0.077960 0.048098 2C 3py -0.012894 -0.041032 0.062086 -0.130486 -0.103988 0.001369 2C 1dz2 0.042189 -0.032269 -0.048992 0.077518 0.042168 0.023508 2C 1dxz 0.027730 -0.019319 -0.020478 0.033249 0.019076 -0.038011 2C 1dyz -0.019812 0.021327 -0.067153 0.119706 0.063212 0.000561 2C 1dx2y2 0.029198 -0.026208 0.020049 -0.039992 -0.022954 -0.002247 2C 1dxy -0.004753 0.003036 -0.013217 0.021906 0.012243 -0.030117 2C 2dz2 0.063915 -0.045316 -0.104364 0.168820 0.042349 0.094349 2C 2dxz 0.049828 -0.041342 -0.005084 0.004232 -0.033004 -0.142581 2C 2dyz -0.016233 0.018321 -0.161197 0.296847 0.098735 0.025815 2C 2dx2y2 0.041897 -0.026029 0.020917 -0.047717 0.007748 -0.001600 2C 2dxy -0.026174 0.026981 -0.032736 0.054527 0.031696 -0.108507 2C 1f0 0.073841 -0.055459 -0.027526 0.037249 0.013347 0.064325 2C 1f+1 0.022319 -0.012522 -0.034173 0.054828 0.030622 -0.062780 2C 1f-1 0.009530 -0.003706 -0.059207 0.101730 0.027892 0.019930 2C 1f+2 0.042656 -0.038083 0.051065 -0.094402 -0.036581 -0.005187 2C 1f-2 0.025776 -0.016012 -0.028113 0.046504 0.013541 -0.112991 2C 1f+3 0.004954 -0.003213 0.008691 -0.012974 -0.005998 -0.012733 2C 1f-3 -0.024180 0.018973 -0.018900 0.035055 0.021657 0.035709 3C 1s -0.001344 0.000081 -0.009565 -0.005629 -0.005875 0.000512 3C 2s -0.001583 0.000366 -0.013729 -0.008131 -0.011051 0.000345 3C 3s -0.029366 -0.008529 -0.218579 -0.124894 0.006379 0.007683 3C 4s 0.191772 0.035166 1.560418 0.893642 0.363049 -0.010463 3C 5s -0.548050 -0.043852 -1.014292 -0.594615 -0.606263 -0.106901 3C 1pz 0.002978 0.000890 0.019736 0.013361 0.028187 -0.006886 3C 1px 0.001030 0.000321 0.008874 0.005780 0.014618 0.025852 3C 1py -0.005201 0.001221 -0.029084 -0.016312 -0.039527 0.003447 3C 2pz 0.029866 -0.001600 0.390181 0.195233 0.041930 0.103411 3C 2px 0.034156 0.003763 0.353824 0.199441 0.118777 -0.199804 3C 2py -0.060901 -0.028930 -0.821818 -0.480842 -0.268572 -0.105249 3C 3pz -0.078794 0.035481 -0.100414 -0.052078 -0.064394 -0.028476 3C 3px -0.048479 0.006496 -0.079590 -0.049570 -0.085620 0.039284 3C 3py 0.109283 0.025309 0.186131 0.114152 0.177735 0.033004 3C 1dz2 0.016178 -0.027979 -0.018760 -0.013537 -0.008263 0.012732 3C 1dxz 0.016799 -0.016444 0.044361 0.022720 0.022712 -0.017320 3C 1dyz -0.024707 0.019436 -0.106371 -0.060975 -0.055965 -0.025348 3C 1dx2y2 0.009129 -0.025213 -0.072020 -0.045211 -0.039544 -0.028081 3C 1dxy -0.004408 -0.003402 -0.068074 -0.037132 -0.032068 0.034851 3C 2dz2 0.007939 -0.016520 -0.057419 -0.042573 -0.027824 0.044438 3C 2dxz 0.019688 -0.020165 0.069653 0.028445 0.000634 -0.077948 3C 2dyz -0.055981 0.028894 -0.284949 -0.163854 -0.116820 -0.100731 3C 2dx2y2 0.027729 -0.047689 -0.116418 -0.069355 -0.002278 -0.100427 3C 2dxy 0.000445 -0.018049 -0.122419 -0.063002 -0.006124 0.126199 3C 1f0 0.007607 -0.013376 -0.026424 -0.014929 0.001618 -0.008395 3C 1f+1 0.017719 -0.017332 0.029646 0.017806 0.020219 0.027507 3C 1f-1 -0.038494 0.053965 -0.005281 0.000502 -0.008471 -0.049405 3C 1f+2 -0.012560 -0.005017 -0.086021 -0.052782 -0.023980 -0.048118 3C 1f-2 -0.028772 0.016918 -0.100124 -0.054093 -0.032475 0.067424 3C 1f+3 0.009785 0.005198 0.081310 0.044641 0.028855 -0.062043 3C 1f-3 0.009159 -0.021638 -0.045942 -0.033917 -0.029508 -0.091078 4C 1s 0.001009 -0.000001 -0.000050 -0.000150 -0.006567 0.000054 4C 2s 0.001789 -0.000056 0.002458 -0.004849 -0.014075 -0.000053 4C 3s -0.004425 0.005824 -0.249763 0.457270 0.211601 -0.006878 4C 4s -0.060316 -0.015636 1.146052 -2.100956 -0.630643 0.006131 4C 5s 0.187479 -0.012343 -0.376480 0.697383 0.319168 -0.030907 4C 1pz -0.011682 0.003788 0.034394 -0.054457 -0.003921 0.020110 4C 1px -0.002843 0.003034 0.008135 -0.006124 0.006972 -0.050798 4C 1py -0.000076 -0.005722 0.016544 -0.039481 -0.000664 -0.007252 4C 2pz -0.028803 0.047680 -0.435327 0.778803 0.314125 -0.042353 4C 2px -0.019108 0.027475 -0.102797 0.153054 0.061540 0.002753 4C 2py 0.167753 -0.122225 -0.310377 0.503579 0.212994 -0.024661 4C 3pz -0.106027 -0.054301 0.210724 -0.422541 -0.522915 -0.083062 4C 3px 0.002281 -0.032518 0.005515 -0.041076 -0.091067 0.152928 4C 3py -0.125232 0.038208 0.127663 -0.272721 -0.356230 0.007349 4C 1dz2 -0.069012 0.057648 0.040463 -0.030776 -0.011170 -0.002000 4C 1dxz -0.028773 0.024973 0.024087 -0.021947 -0.024015 0.007285 4C 1dyz 0.028383 -0.031996 0.017155 -0.048344 0.022015 0.003297 4C 1dx2y2 -0.038825 0.040436 -0.009798 0.040645 0.039458 0.001373 4C 1dxy -0.007035 0.004865 0.000387 0.001222 0.024301 0.002364 4C 2dz2 -0.000132 -0.000615 0.070204 -0.150085 -0.064045 0.209905 4C 2dxz 0.001314 0.012336 0.027632 -0.068396 -0.038519 -0.325918 4C 2dyz -0.015962 0.008952 0.175122 -0.297143 -0.085953 0.020055 4C 2dx2y2 0.008210 -0.014204 -0.014949 -0.006612 0.047317 -0.042461 4C 2dxy 0.005813 -0.003568 0.061983 -0.124607 -0.012734 -0.256035 4C 1f0 -0.166971 0.139031 -0.027514 0.084346 0.036396 -0.049493 4C 1f+1 -0.081195 0.068983 -0.079345 0.152375 0.061800 0.056883 4C 1f-1 -0.012377 0.021381 -0.163187 0.286234 0.188330 -0.085754 4C 1f+2 -0.145022 0.110897 0.134395 -0.201454 -0.113908 -0.043656 4C 1f-2 -0.032828 0.031539 -0.056820 0.106799 0.061360 0.139066 4C 1f+3 0.022685 -0.021236 -0.020735 0.026417 0.022207 -0.029059 4C 1f-3 0.067541 -0.042129 -0.053361 0.086674 0.034357 -0.089399 5C 1s 0.001938 0.000017 0.000228 0.000154 -0.006035 -0.000154 5C 2s 0.003234 0.000001 -0.004038 -0.002334 -0.013019 -0.000584 5C 3s 0.006920 -0.002429 0.447209 0.259019 0.201506 0.022098 5C 4s -0.155658 -0.001647 -2.067902 -1.195918 -0.610842 -0.108593 5C 5s 0.334371 0.019264 0.656053 0.397377 0.303196 0.043796 5C 1pz -0.014542 0.005738 -0.039384 -0.013298 -0.002270 0.015152 5C 1px -0.006209 -0.000053 -0.014786 -0.015912 -0.000711 -0.053489 5C 1py 0.016344 0.003928 0.054113 0.033541 0.000599 -0.006676 5C 2pz -0.001263 0.109250 0.430197 0.234488 0.160840 0.029118 5C 2px 0.021370 0.031079 0.274904 0.226125 0.116545 0.008516 5C 2py -0.151727 0.041928 -0.784956 -0.423600 -0.288664 -0.043868 5C 3pz -0.147631 -0.050039 -0.219515 -0.139604 -0.308658 -0.091758 5C 3px -0.097832 -0.009207 -0.142539 -0.060346 -0.174857 0.134181 5C 3py 0.298185 -0.035341 0.371571 0.233524 0.503245 0.082788 5C 1dz2 -0.031781 0.051909 -0.016236 0.011724 -0.028176 -0.001177 5C 1dxz -0.020008 0.022452 -0.032947 -0.009703 -0.021694 0.002127 5C 1dyz 0.026760 -0.027134 0.042967 0.013199 -0.027175 -0.002002 5C 1dx2y2 -0.010423 0.037393 0.040302 0.037704 0.031028 0.001453 5C 1dxy 0.008689 0.001978 0.031930 0.019272 0.005211 -0.005593 5C 2dz2 0.015868 -0.009140 0.110960 0.041111 0.009187 0.128787 5C 2dxz 0.003471 -0.007736 -0.035437 -0.021781 -0.039639 -0.172737 5C 2dyz 0.022520 0.003777 0.285097 0.177933 0.066697 -0.141022 5C 2dx2y2 0.001710 0.015946 0.118180 0.054893 0.058840 -0.208181 5C 2dxy 0.006985 0.007297 0.135094 0.062803 0.055042 0.348984 5C 1f0 -0.019725 0.011324 -0.132938 -0.073548 -0.092263 0.048803 5C 1f+1 -0.028221 0.047642 0.060996 0.036847 0.018874 -0.074098 5C 1f-1 0.096628 -0.147001 -0.014758 -0.026474 -0.014901 0.072044 5C 1f+2 -0.022016 0.011379 -0.201528 -0.112098 -0.122091 0.032019 5C 1f-2 0.023006 -0.058817 -0.195628 -0.131946 -0.118332 -0.152210 5C 1f+3 0.041288 -0.027947 0.216432 0.122716 0.113349 0.020376 5C 1f-3 -0.062467 0.063864 -0.158959 -0.080037 -0.062054 0.076770 6C 1s -0.001931 0.000020 -0.000219 -0.000151 -0.006037 0.000115 6C 2s -0.003217 0.000009 0.004060 0.002342 -0.013023 0.000506 6C 3s -0.007462 -0.002712 -0.447918 -0.259093 0.201315 -0.020968 6C 4s 0.157810 -0.000372 2.070729 1.196098 -0.610022 0.105770 6C 5s -0.334240 0.019332 -0.656467 -0.395950 0.303070 -0.043243 6C 1pz -0.014612 -0.005807 -0.039379 -0.013290 0.002209 0.015192 6C 1px -0.006132 0.000083 -0.014812 -0.015910 0.000764 -0.053610 6C 1py 0.016453 -0.003909 0.054168 0.033480 -0.000588 -0.006672 6C 2pz 0.000178 -0.108816 0.430545 0.233819 -0.160383 0.027961 6C 2px 0.022342 -0.031443 0.276330 0.227219 -0.117102 0.009784 6C 2py -0.153134 -0.043154 -0.785371 -0.422751 0.288021 -0.042358 6C 3pz -0.146497 0.050221 -0.220273 -0.139568 0.308682 -0.090359 6C 3px -0.097698 0.009070 -0.142805 -0.060652 0.174486 0.136378 6C 3py 0.295941 0.035297 0.372977 0.233598 -0.503625 0.079653 6C 1dz2 0.031544 0.052129 0.016217 -0.011706 -0.028162 0.001062 6C 1dxz 0.019850 0.022519 0.032942 0.009750 -0.021684 -0.002241 6C 1dyz -0.026671 -0.027288 -0.042922 -0.013183 -0.027237 0.001877 6C 1dx2y2 0.010329 0.037522 -0.040382 -0.037646 0.030909 -0.001362 6C 1dxy -0.008669 0.001884 -0.031998 -0.019192 0.005183 0.005636 6C 2dz2 -0.015500 -0.009316 -0.111157 -0.040776 0.009180 -0.128727 6C 2dxz -0.003273 -0.007433 0.035408 0.021438 -0.039691 0.172198 6C 2dyz -0.023467 0.003614 -0.285460 -0.178143 0.066531 0.141110 6C 2dx2y2 -0.002793 0.015600 -0.118339 -0.054823 0.058806 0.208106 6C 2dxy -0.006986 0.006897 -0.135213 -0.062367 0.055017 -0.348233 6C 1f0 -0.019783 -0.011380 -0.133072 -0.073460 0.092108 0.049386 6C 1f+1 -0.027941 -0.047754 0.061046 0.036737 -0.018681 -0.074217 6C 1f-1 0.095876 0.147400 -0.014964 -0.026306 0.014809 0.072191 6C 1f+2 -0.022173 -0.011495 -0.201629 -0.112171 0.121817 0.032500 6C 1f-2 0.022960 0.059022 -0.196120 -0.131981 0.118318 -0.151701 6C 1f+3 0.041167 0.028103 0.216572 0.122724 -0.113163 0.019877 6C 1f-3 -0.062285 -0.064115 -0.159051 -0.080074 0.061859 0.077114 7C 1s -0.001016 0.000019 0.000056 0.000145 -0.006575 -0.000046 7C 2s -0.001792 -0.000030 -0.002449 0.004839 -0.014094 0.000076 7C 3s 0.003684 0.006545 0.250258 -0.457087 0.212030 0.006192 7C 4s 0.063091 -0.020869 -1.148716 2.100376 -0.632334 -0.002838 7C 5s -0.187025 -0.010034 0.376682 -0.697086 0.319386 0.030964 7C 1pz -0.011806 -0.003591 0.034432 -0.054426 0.003965 0.020243 7C 1px -0.002931 -0.002989 0.008159 -0.006148 -0.006882 -0.051103 7C 1py -0.000151 0.005839 0.016640 -0.039566 0.000653 -0.007254 7C 2pz -0.028948 -0.051101 -0.434639 0.777215 -0.314227 -0.042999 7C 2px -0.019307 -0.028158 -0.102442 0.152296 -0.061574 0.004765 7C 2py 0.168452 0.119699 -0.312486 0.506910 -0.214513 -0.024563 7C 3pz -0.106864 0.054954 0.211149 -0.421320 0.522589 -0.085285 7C 3px 0.002735 0.032113 0.004333 -0.038437 0.089548 0.153684 7C 3py -0.126312 -0.037608 0.128554 -0.273219 0.357070 0.005994 7C 1dz2 0.069384 0.057439 -0.040450 0.030687 -0.011175 0.001906 7C 1dxz 0.028798 0.024755 -0.024001 0.021838 -0.023927 -0.007210 7C 1dyz -0.028197 -0.031992 -0.017236 0.048289 0.022050 -0.003328 7C 1dx2y2 0.038993 0.040573 0.009707 -0.040602 0.039448 -0.001318 7C 1dxy 0.007287 0.004986 -0.000449 -0.001221 0.024303 -0.002480 7C 2dz2 -0.000418 -0.001423 -0.069347 0.148533 -0.063335 -0.209468 7C 2dxz -0.001279 0.011623 -0.027420 0.068551 -0.039654 0.325163 7C 2dyz 0.016352 0.007970 -0.175932 0.298059 -0.086305 -0.020397 7C 2dx2y2 -0.007558 -0.013557 0.015248 0.005542 0.047602 0.042508 7C 2dxy -0.005421 -0.003847 -0.062503 0.124946 -0.013510 0.257245 7C 1f0 -0.167535 -0.138922 -0.026436 0.082298 -0.035309 -0.049019 7C 1f+1 -0.080982 -0.069076 -0.078863 0.151300 -0.061541 0.056843 7C 1f-1 -0.013907 -0.023587 -0.162769 0.285899 -0.188176 -0.086032 7C 1f+2 -0.145353 -0.109708 0.135369 -0.202925 0.115030 -0.044082 7C 1f-2 -0.033302 -0.032231 -0.056607 0.106491 -0.061596 0.139941 7C 1f+3 0.022486 0.020875 -0.020822 0.026637 -0.022216 -0.028780 7C 1f-3 0.068211 0.042082 -0.053902 0.087231 -0.034450 -0.089408 8C 1s 0.001344 0.000081 0.009577 0.005627 -0.005866 -0.000563 8C 2s 0.001575 0.000360 0.013743 0.008132 -0.011036 -0.000421 8C 3s 0.029943 -0.008197 0.218922 0.124678 0.006473 -0.008148 8C 4s -0.194848 0.033511 -1.562499 -0.892535 0.362169 0.014492 8C 5s 0.546548 -0.042945 1.016637 0.593540 -0.606257 0.103246 8C 1pz 0.002937 -0.000924 0.019713 0.013359 -0.028104 -0.007022 8C 1px 0.000955 -0.000331 0.008857 0.005756 -0.014550 0.025776 8C 1py -0.005128 -0.001212 -0.029160 -0.016343 0.039543 0.003630 8C 2pz 0.030840 0.002348 0.391518 0.195392 -0.042862 0.103677 8C 2px 0.035354 -0.003440 0.355872 0.200406 -0.120179 -0.199854 8C 2py -0.062574 0.028103 -0.821475 -0.479975 0.266852 -0.104807 8C 3pz -0.078360 -0.035556 -0.100753 -0.052108 0.064702 -0.027992 8C 3px -0.048206 -0.006445 -0.080108 -0.049594 0.086414 0.039514 8C 3py 0.108930 -0.025348 0.186332 0.114027 -0.177286 0.032232 8C 1dz2 -0.016010 -0.028026 0.018858 0.013555 -0.008267 -0.012738 8C 1dxz -0.016876 -0.016603 -0.044377 -0.022757 0.022639 0.017374 8C 1dyz 0.024621 0.019509 0.106368 0.060946 -0.055826 0.025186 8C 1dx2y2 -0.008964 -0.025227 0.072207 0.045224 -0.039603 0.027959 8C 1dxy 0.004466 -0.003409 0.068157 0.037115 -0.031958 -0.034931 8C 2dz2 -0.007619 -0.016630 0.057638 0.042798 -0.027834 -0.044258 8C 2dxz -0.020243 -0.020953 -0.069259 -0.028299 0.000303 0.077642 8C 2dyz 0.055940 0.028975 0.284950 0.163623 -0.116386 0.100853 8C 2dx2y2 -0.026989 -0.047321 0.117462 0.069716 -0.003094 0.100558 8C 2dxy 0.000014 -0.018075 0.122100 0.062702 -0.005648 -0.126102 8C 1f0 0.007504 0.013350 -0.026433 -0.014850 -0.001588 -0.008307 8C 1f+1 0.017293 0.017196 0.029094 0.017410 -0.020015 0.027631 8C 1f-1 -0.038221 -0.054173 -0.005186 0.000439 0.008415 -0.049635 8C 1f+2 -0.012639 0.004836 -0.086066 -0.052637 0.023975 -0.047701 8C 1f-2 -0.028826 -0.016913 -0.100532 -0.054205 0.032334 0.067997 8C 1f+3 0.009988 -0.005073 0.081132 0.044542 -0.028644 -0.061834 8C 1f-3 0.009247 0.021825 -0.046227 -0.034017 0.029615 -0.091064 9C 1s 0.000329 -0.000323 -0.005537 0.009453 -0.006175 -0.001582 9C 2s -0.000017 -0.000754 -0.007963 0.013550 -0.011530 -0.001782 9C 3s 0.018544 0.007584 -0.124010 0.219271 0.002629 -0.032644 9C 4s -0.090191 -0.019448 0.889299 -1.561795 0.401912 0.182008 9C 5s 0.286607 0.005659 -0.567511 1.082632 -0.642840 0.002136 9C 1pz -0.000931 -0.003664 -0.016761 0.029369 -0.042654 -0.009427 9C 1px -0.000635 -0.000140 -0.002555 0.005068 -0.004904 0.024719 9C 1py 0.002228 0.000084 -0.013560 0.020677 -0.030337 0.003343 9C 2pz 0.046042 0.024356 -0.465281 0.800346 -0.249519 0.072525 9C 2px 0.017560 -0.001372 -0.142362 0.235123 -0.136379 -0.222396 9C 2py 0.004999 -0.008131 -0.273129 0.518819 -0.130620 -0.032764 9C 3pz -0.071810 -0.015335 0.103455 -0.195798 0.171078 -0.020884 9C 3px -0.026778 -0.013756 0.034288 -0.057770 0.077879 0.048129 9C 3py -0.013322 0.041132 0.062897 -0.131382 0.106096 0.001256 9C 1dz2 -0.042516 -0.032062 0.048820 -0.077128 0.042122 -0.023574 9C 1dxz -0.027764 -0.019125 0.020316 -0.032968 0.018902 0.038040 9C 1dyz 0.019208 0.021268 0.067321 -0.119877 0.063392 -0.000756 9C 1dx2y2 -0.029597 -0.026483 -0.020233 0.040272 -0.023171 0.002221 9C 1dxy 0.004638 0.003004 0.013101 -0.021677 0.011979 0.030210 9C 2dz2 -0.064102 -0.044233 0.104662 -0.168807 0.043371 -0.094449 9C 2dxz -0.049492 -0.040840 0.004740 -0.003532 -0.033117 0.143030 9C 2dyz 0.014981 0.018425 0.161687 -0.297085 0.098646 -0.026828 9C 2dx2y2 -0.043660 -0.027665 -0.021242 0.048153 0.007689 0.001492 9C 2dxy 0.026023 0.026782 0.032119 -0.053200 0.030172 0.108344 9C 1f0 0.074482 0.055420 -0.027385 0.036958 -0.013699 0.063781 9C 1f+1 0.022273 0.012200 -0.033960 0.054481 -0.030262 -0.062215 9C 1f-1 0.010060 0.003576 -0.059177 0.101535 -0.027975 0.020479 9C 1f+2 0.042130 0.038004 0.051685 -0.095395 0.036818 -0.004130 9C 1f-2 0.025931 0.015885 -0.027845 0.046015 -0.013256 -0.113932 9C 1f+3 0.005278 0.003503 0.008491 -0.012788 0.005977 -0.013793 9C 1f-3 -0.023999 -0.018844 -0.018552 0.034449 -0.021505 0.036526 10H 1s -0.002358 -0.002694 0.032493 -0.055414 -0.030825 -0.006474 10H 2s 0.012997 -0.019574 0.057462 -0.094359 -0.070614 0.041768 10H 3s 0.025702 -0.006785 -0.062356 0.112780 0.054170 -0.052954 10H 1pz 0.000439 -0.001834 0.012875 -0.020730 -0.010631 0.015160 10H 1px -0.002080 0.005647 -0.025381 0.042689 0.024858 -0.005544 10H 1py 0.004296 -0.004996 0.005787 -0.010193 -0.006765 0.012915 11H 1s -0.032051 0.022993 0.003150 -0.005204 0.009859 0.021621 11H 2s -0.035569 0.035951 -0.035580 0.056963 0.073575 0.042156 11H 3s 0.010172 0.006198 -0.031844 0.069010 -0.034771 0.014527 11H 1pz -0.014030 0.009269 0.004843 -0.012840 0.004347 0.014257 11H 1px -0.016781 0.013927 -0.006175 0.011046 0.021733 0.013073 11H 1py 0.015188 -0.011178 0.005328 -0.011026 -0.011957 -0.010647 12H 1s 0.018232 -0.014273 0.013638 -0.023002 -0.007128 0.031812 12H 2s 0.044079 -0.035177 0.006048 0.000440 -0.000563 0.052717 12H 3s 0.027697 -0.017064 -0.049243 0.085753 0.001566 0.021214 12H 1pz -0.009350 0.007025 0.003446 -0.004252 -0.003680 -0.010571 12H 1px 0.008236 -0.005635 -0.002422 0.005114 0.010059 0.015606 12H 1py 0.016918 -0.014658 0.014540 -0.021649 -0.009522 0.022382 13H 1s -0.014471 0.000895 -0.051312 -0.033289 -0.030381 -0.012999 13H 2s -0.025639 0.019311 -0.088487 -0.064818 -0.067392 0.024354 13H 3s 0.040496 0.010752 0.105778 0.065021 0.045060 -0.038173 13H 1pz -0.011971 0.006555 -0.035042 -0.023488 -0.021214 0.010449 13H 1px 0.008364 -0.002380 0.029631 0.019733 0.016861 0.005463 13H 1py 0.003108 -0.000584 0.010111 0.008247 0.003466 -0.007803 14H 1s -0.017292 0.009202 -0.031776 -0.017068 -0.010281 0.025570 14H 2s -0.025266 0.034049 -0.031107 -0.022417 -0.021385 0.035594 14H 3s 0.035104 0.017271 0.085607 0.051951 0.011185 0.038471 14H 1pz -0.011670 0.007928 -0.025588 -0.017199 -0.016619 0.002099 14H 1px -0.013246 0.011634 -0.017110 -0.009897 -0.001646 0.020307 14H 1py -0.003845 0.003542 -0.000831 0.000809 -0.000418 0.008182 15H 1s 0.014433 -0.021774 -0.001461 0.001624 0.015856 0.016062 15H 2s 0.029586 -0.028901 0.067737 0.045427 0.096179 0.037620 15H 3s 0.038603 -0.006100 0.062063 0.028426 -0.044556 0.018103 15H 1pz -0.011471 0.012558 -0.019712 -0.011538 -0.025907 -0.011535 15H 1px 0.002352 -0.003310 0.003387 0.002814 0.010072 -0.000072 15H 1py -0.004457 0.011111 0.006452 0.001040 -0.015989 -0.013881 16H 1s -0.004998 0.001396 -0.002956 0.003006 -0.011009 0.001061 16H 2s -0.025685 -0.000417 0.026040 -0.029217 0.012168 -0.012626 16H 3s 0.008524 -0.001866 -0.005629 0.021654 -0.003852 0.031872 16H 1pz -0.000565 -0.000021 0.005262 0.007486 -0.000451 -0.004591 16H 1px -0.004305 -0.002689 0.011118 -0.030008 0.004720 0.005492 16H 1py -0.026103 0.001785 -0.003037 -0.020663 -0.003570 -0.001522 17H 1s 0.002686 0.000395 -0.003240 -0.001155 -0.011237 0.002255 17H 2s 0.047011 -0.009966 0.036425 0.012079 0.013189 -0.008980 17H 3s -0.008936 -0.004054 -0.013263 -0.008368 -0.002495 0.030416 17H 1pz -0.006211 0.000979 -0.013302 -0.004528 -0.001383 0.001025 17H 1px 0.006572 -0.001491 0.012209 0.026514 0.002431 0.003240 17H 1py 0.028544 -0.005448 0.006385 0.019825 -0.002033 -0.000301 18H 1s -0.002734 0.000365 0.003138 0.001126 -0.011246 -0.002366 18H 2s -0.046656 -0.009779 -0.035885 -0.011946 0.013672 0.008534 18H 3s 0.009051 -0.004489 0.012889 0.008575 -0.002414 -0.030330 18H 1pz -0.006852 -0.000942 -0.013198 -0.004978 0.001380 0.001088 18H 1px 0.006591 0.001389 0.011656 0.027038 -0.002344 0.003065 18H 1py 0.028444 0.005489 0.005806 0.020049 0.001886 -0.000055 19H 1s 0.004921 0.001357 0.002993 -0.003087 -0.011027 -0.000940 19H 2s 0.025610 -0.000245 -0.026270 0.029445 0.011997 0.012675 19H 3s -0.008318 -0.001252 0.006008 -0.021498 -0.003668 -0.032039 19H 1pz -0.000032 0.000036 0.005026 0.007721 0.000366 -0.004499 19H 1px -0.003887 0.002908 0.011952 -0.029659 -0.004888 0.005581 19H 1py -0.025995 -0.001853 -0.002392 -0.020822 0.003677 -0.001852 20H 1s -0.014164 -0.021680 0.001825 -0.001520 0.015625 -0.016466 20H 2s -0.029366 -0.028948 -0.066688 -0.045142 0.094974 -0.038245 20H 3s -0.038516 -0.006315 -0.062584 -0.028342 -0.044064 -0.018371 20H 1pz -0.011371 -0.012595 -0.019379 -0.011418 0.025619 -0.011814 20H 1px 0.002443 0.003422 0.003589 0.002982 -0.010385 0.000187 20H 1py -0.004308 -0.011049 0.006850 0.001130 0.015548 -0.014118 21H 1s 0.017319 0.009411 0.031350 0.016794 -0.009830 -0.025772 21H 2s 0.025021 0.034119 0.029730 0.021649 -0.019887 -0.036694 21H 3s -0.035107 0.017160 -0.085367 -0.051623 0.010352 -0.038038 21H 1pz -0.011709 -0.007997 -0.025547 -0.017154 0.016412 0.002638 21H 1px -0.013166 -0.011702 -0.016548 -0.009557 0.001082 0.020570 21H 1py -0.003838 -0.003619 -0.000593 0.000929 0.000221 0.008202 22H 1s 0.014354 0.000812 0.051599 0.033345 -0.030506 0.012646 22H 2s 0.025349 0.018827 0.089086 0.065004 -0.067619 -0.025584 22H 3s -0.040567 0.010529 -0.106174 -0.064834 0.045361 0.038643 22H 1pz -0.011810 -0.006442 -0.034844 -0.023285 0.021015 0.010758 22H 1px 0.008315 0.002284 0.030073 0.019930 -0.017124 0.005080 22H 1py 0.003186 0.000556 0.010420 0.008408 -0.003656 -0.008096 23H 1s -0.018764 -0.014668 -0.013143 0.022176 -0.006291 -0.031865 23H 2s -0.044267 -0.035023 -0.004194 -0.003306 0.002444 -0.053479 23H 3s -0.027841 -0.016560 0.049051 -0.085104 0.000172 -0.021247 23H 1pz -0.009622 -0.007144 0.003773 -0.004745 0.004131 -0.010532 23H 1px 0.008154 0.005533 -0.002805 0.005675 -0.010561 0.015199 23H 1py 0.017162 0.014794 0.013980 -0.020737 0.008492 0.022973 24H 1s 0.031962 0.022588 -0.003525 0.005874 0.009306 -0.022336 24H 2s 0.035962 0.036062 0.034603 -0.054670 0.070685 -0.043587 24H 3s -0.010289 0.006706 0.032571 -0.069814 -0.033272 -0.015107 24H 1pz -0.014014 -0.009095 0.005113 -0.013448 -0.003499 0.014419 24H 1px -0.017104 -0.014060 -0.006043 0.010724 -0.021455 0.013955 24H 1py 0.015055 0.010977 0.004910 -0.010267 0.011097 -0.010752 25H 1s 0.002698 -0.002756 -0.032681 0.055738 -0.031048 0.006304 25H 2s -0.011712 -0.018597 -0.057584 0.094772 -0.070726 -0.042559 25H 3s -0.025456 -0.005971 0.062546 -0.112979 0.054378 0.053172 25H 1pz 0.000102 0.001648 0.013112 -0.021191 0.010900 0.015530 25H 1px -0.001735 -0.005525 -0.025432 0.042810 -0.024937 -0.005846 25H 1py 0.004199 0.004824 0.005309 -0.009414 0.006163 0.012707 26O 1s -0.000505 -0.000052 0.004221 -0.007413 -0.006582 0.003716 26O 2s -0.001750 -0.000123 0.012994 -0.022815 -0.021034 0.011414 26O 3s 0.017297 -0.001167 -0.089971 0.157590 0.186928 -0.097310 26O 4s -0.041459 0.010514 0.072303 -0.128136 -0.350195 0.215613 26O 5s 0.041815 0.026084 -0.211683 0.468812 0.475522 0.158238 26O 1pz -0.014012 0.011805 -0.010097 0.017558 0.006233 -0.022722 26O 1px -0.011874 0.006125 0.030452 -0.051938 -0.062756 0.049045 26O 1py 0.025414 -0.018970 0.006157 -0.007116 -0.020054 0.004268 26O 2pz 0.034416 -0.035025 0.041321 -0.074843 -0.035800 0.046832 26O 2px 0.030276 -0.025529 0.029432 -0.066782 0.094134 -0.148166 26O 2py -0.064226 0.045309 0.033190 -0.074014 0.015275 -0.027293 26O 3pz 0.004636 0.019709 -0.076359 0.104655 0.188803 0.190084 26O 3px -0.008961 0.003618 0.025435 -0.106826 -0.073253 0.038687 26O 3py 0.054245 -0.034148 -0.000774 0.056933 0.091859 0.132923 26O 1dz2 0.043014 -0.023810 -0.002351 0.009079 0.025020 -0.026500 26O 1dxz -0.032901 0.036438 -0.008378 0.034074 0.040732 -0.007265 26O 1dyz -0.049280 0.032647 0.031752 -0.047570 -0.011416 -0.017350 26O 1dx2y2 -0.037313 0.040209 0.047616 -0.057673 -0.069790 0.027439 26O 1dxy 0.080616 -0.070743 0.018010 -0.054590 -0.033259 0.014132 26O 2dz2 0.002281 -0.003306 0.022975 -0.048445 -0.006937 -0.001642 26O 2dxz -0.005428 0.006519 -0.008061 0.011610 0.003682 0.005823 26O 2dyz -0.005165 0.003740 0.007540 -0.011195 -0.002904 -0.010092 26O 2dx2y2 -0.002808 0.005875 -0.025564 0.045854 0.005090 -0.009623 26O 2dxy 0.004982 -0.003238 -0.022698 0.043329 0.004101 -0.007353 26O 1f0 -0.040539 0.053274 0.009502 0.044560 0.044544 0.048894 26O 1f+1 -0.234727 0.206941 -0.062952 0.174003 0.082142 0.071578 26O 1f-1 -0.043578 0.026028 -0.026116 0.043149 0.060709 0.155870 26O 1f+2 -0.026007 0.024212 0.159398 -0.251188 -0.232598 -0.230512 26O 1f-2 0.232539 -0.179349 -0.157441 0.220322 0.172820 0.152926 26O 1f+3 -0.095044 0.091789 0.071606 -0.075335 -0.100993 -0.054619 26O 1f-3 0.272805 -0.228473 0.020259 -0.119888 -0.105831 -0.061229 27O 1s -0.000763 -0.000143 -0.007511 -0.004316 -0.006259 0.003398 27O 2s -0.002583 -0.000503 -0.023020 -0.013333 -0.019965 0.010533 27O 3s 0.020971 0.005859 0.157532 0.094092 0.176497 -0.092959 27O 4s -0.037962 -0.018305 -0.129137 -0.091863 -0.326910 0.219335 27O 5s 0.126372 -0.013960 0.433138 0.226223 0.458675 0.168308 27O 1pz -0.010499 0.016864 0.017276 0.007668 0.010510 -0.018881 27O 1px -0.005612 0.000485 -0.055217 -0.031903 -0.059844 0.045280 27O 1py -0.009775 0.011528 -0.011408 -0.007987 0.000144 0.015874 27O 2pz 0.024667 -0.045294 -0.036507 -0.017035 -0.031805 0.043428 27O 2px -0.005118 0.003851 -0.066759 -0.029037 0.079896 -0.154921 27O 2py 0.032752 -0.031595 0.079055 0.050216 0.029368 -0.024721 27O 3pz 0.013848 0.027657 0.080924 0.014036 0.128736 0.119615 27O 3px 0.001493 0.002190 -0.097686 -0.019084 -0.034001 0.078571 27O 3py -0.061448 0.017975 -0.052171 -0.078169 -0.176433 -0.190908 27O 1dz2 0.033627 -0.035991 0.057473 0.032543 0.040779 -0.005905 27O 1dxz -0.035732 0.063900 0.015484 0.026064 0.037146 -0.007721 27O 1dyz 0.006603 -0.003795 0.059994 0.030222 0.026801 0.019636 27O 1dx2y2 0.001780 0.005676 -0.056070 -0.025356 -0.057307 0.034669 27O 1dxy -0.030538 0.048446 0.000654 0.009271 -0.014946 0.003372 27O 2dz2 -0.000634 -0.002467 -0.033858 -0.019812 -0.004698 0.005436 27O 2dxz -0.003779 0.006604 -0.008485 -0.004682 0.000380 0.006090 27O 2dyz 0.000874 0.000083 0.015719 0.011158 0.006225 0.013590 27O 2dx2y2 0.005993 -0.000731 0.066449 0.032255 0.008225 -0.000297 27O 2dxy -0.003866 0.003402 -0.024231 -0.015153 -0.007165 -0.001481 27O 1f0 -0.007478 0.039943 0.054509 0.048570 0.044415 -0.019959 27O 1f+1 -0.155962 0.240340 -0.113772 -0.019043 -0.094074 -0.081430 27O 1f-1 -0.022336 0.030838 0.075849 0.025712 0.045563 0.022637 27O 1f+2 0.096887 -0.130429 -0.060102 -0.072555 -0.132211 -0.190031 27O 1f-2 0.003249 -0.046644 -0.327369 -0.210982 -0.288198 -0.287185 27O 1f+3 0.079687 -0.081144 0.083556 0.042380 0.029649 0.080888 27O 1f-3 -0.099165 0.155624 -0.053314 0.007288 -0.044581 -0.073450 28O 1s -0.000384 -0.000057 0.004345 -0.007623 -0.006506 -0.003280 28O 2s -0.001290 -0.000171 0.013359 -0.023435 -0.020739 -0.010052 28O 3s 0.011838 0.000056 -0.092753 0.164120 0.183674 0.086191 28O 4s -0.031627 0.009419 0.083770 -0.163437 -0.346013 -0.196956 28O 5s 0.086449 0.015404 -0.248604 0.484270 0.475506 -0.099930 28O 1pz -0.014707 0.010871 0.009663 -0.016189 -0.028849 -0.007931 28O 1px -0.009797 0.007062 -0.032079 0.053629 0.055304 0.046666 28O 1py 0.026060 -0.018145 -0.005562 0.012407 0.004467 0.014554 28O 2pz 0.028761 -0.032596 0.052142 -0.093339 0.016067 0.041467 28O 2px 0.026334 -0.011884 -0.006502 0.016656 -0.091676 -0.136957 28O 2py -0.063561 0.044698 0.027805 -0.056739 -0.028714 -0.028474 28O 3pz -0.001389 0.020042 -0.006056 -0.005563 0.129155 -0.216779 28O 3px -0.000650 0.015213 -0.072316 0.109185 0.127366 -0.008694 28O 3py 0.050958 -0.022434 0.003237 0.071493 0.130023 -0.131552 28O 1dz2 -0.015334 0.026252 0.008619 0.010033 0.022743 0.014823 28O 1dxz 0.046499 -0.034794 -0.028337 0.040866 0.040093 0.028778 28O 1dyz 0.025829 -0.034309 0.020977 -0.052204 -0.012816 0.022376 28O 1dx2y2 0.059856 -0.042252 0.035112 -0.065913 -0.066129 -0.017287 28O 1dxy -0.083191 0.068764 0.034864 -0.033426 -0.035131 0.006739 28O 2dz2 0.002882 -0.000755 -0.002833 0.001041 0.001703 0.003384 28O 2dxz -0.000519 -0.003709 0.036887 -0.066615 -0.010520 -0.004632 28O 2dyz 0.001135 -0.002814 0.004308 -0.002903 -0.000637 0.010195 28O 2dx2y2 0.004227 -0.001151 -0.022329 0.036384 0.002792 0.008927 28O 2dxy -0.004494 0.004102 0.009132 -0.016696 -0.006713 0.009981 28O 1f0 -0.159102 0.153307 -0.009079 0.082118 0.023332 -0.034214 28O 1f+1 -0.096032 0.099899 -0.000844 0.066020 0.058029 -0.072620 28O 1f-1 0.066613 -0.035217 -0.139631 0.235530 0.237291 -0.292615 28O 1f+2 0.051096 -0.031726 0.014946 -0.005616 0.016176 0.041161 28O 1f-2 0.113916 -0.107514 0.054825 -0.132552 -0.063857 0.015762 28O 1f+3 -0.281282 0.226083 -0.034022 0.115082 0.131702 -0.126180 28O 1f-3 0.223465 -0.181512 -0.172455 0.212553 0.206631 -0.163857 29O 1s -0.000010 -0.000110 0.000030 -0.000155 -0.000752 0.000221 29O 2s -0.000055 -0.000317 0.000080 -0.000471 -0.002169 0.000787 29O 3s 0.001369 0.002619 -0.000181 0.004496 0.020033 -0.009340 29O 4s -0.003281 -0.005595 0.007083 -0.014378 -0.056836 0.018996 29O 5s -0.010493 0.014308 -0.056775 0.038108 0.112615 0.004925 29O 1pz 0.003731 -0.000202 -0.000714 -0.002158 0.003149 0.001223 29O 1px 0.002090 -0.000429 0.002607 -0.001476 -0.007852 0.000145 29O 1py 0.000138 -0.000956 0.002920 0.000472 0.001282 0.004094 29O 2pz -0.023642 0.002307 0.002946 0.008773 -0.007309 -0.005707 29O 2px -0.012218 0.002283 -0.010370 0.006871 0.017445 0.000603 29O 2py 0.002343 0.001761 -0.007180 -0.002266 -0.003861 -0.014765 29O 3pz -0.032726 0.004978 -0.002721 -0.050545 0.020152 0.012217 29O 3px -0.016751 0.005514 -0.005066 -0.030636 -0.061500 -0.023470 29O 3py 0.014568 -0.007229 0.054786 -0.003795 0.000495 0.015238 29O 1dz2 0.005676 -0.002036 0.005193 0.005184 0.014633 0.001802 29O 1dxz -0.007306 -0.000052 0.001179 -0.011363 0.019531 0.004503 29O 1dyz -0.005279 0.001432 0.000743 -0.009321 0.000109 0.000622 29O 1dx2y2 -0.004106 -0.000574 -0.002209 -0.004643 -0.018599 -0.006361 29O 1dxy -0.002965 0.000151 -0.007713 -0.001328 -0.004190 -0.000068 29O 2dz2 0.007828 -0.000344 0.001695 0.002622 -0.000465 0.001161 29O 2dxz -0.008963 0.001025 0.000696 -0.005354 -0.002306 -0.000643 29O 2dyz 0.007380 -0.001175 -0.001509 -0.003842 0.000261 0.000874 29O 2dx2y2 -0.003196 0.001092 -0.001894 -0.001562 0.004000 0.001864 29O 2dxy 0.005404 -0.001314 0.003608 -0.001705 -0.000686 0.000097 29O 1f0 -0.038993 0.001357 0.003969 -0.025216 0.002847 0.005394 29O 1f+1 0.005357 0.008381 -0.004993 0.053857 -0.011672 -0.009952 29O 1f-1 0.003286 0.003221 -0.013792 -0.000750 -0.019081 -0.002538 29O 1f+2 -0.066255 0.008548 -0.024585 -0.076993 -0.023313 -0.006358 29O 1f-2 0.014232 0.000873 -0.013932 0.031488 -0.024107 -0.006228 29O 1f+3 0.028521 -0.009547 -0.000179 0.039706 -0.029990 -0.006332 29O 1f-3 -0.024740 0.005630 -0.024480 -0.020778 -0.012480 -0.007463 30O 1s -0.000782 -0.000244 -0.007095 -0.004403 -0.006272 -0.003773 30O 2s -0.002713 -0.000820 -0.021812 -0.013446 -0.019975 -0.011596 30O 3s 0.023929 0.008659 0.148717 0.090797 0.175579 0.098855 30O 4s -0.048279 -0.024046 -0.118287 -0.068825 -0.325915 -0.217882 30O 5s 0.128480 0.009937 0.423414 0.324332 0.468877 -0.114047 30O 1pz -0.013360 0.015212 -0.016522 -0.010954 -0.025861 -0.011644 30O 1px 0.000229 0.004285 0.048495 0.029448 0.051503 0.054249 30O 1py -0.010051 0.012518 0.006082 0.001774 0.020353 0.002175 30O 2pz 0.022369 -0.038121 -0.062633 -0.040104 0.023710 0.044428 30O 2px 0.005558 -0.011553 0.017585 0.018665 -0.085959 -0.151317 30O 2py 0.036896 -0.035339 0.099755 0.071345 -0.000970 -0.024593 30O 3pz 0.003556 0.032354 0.021143 -0.039729 0.061058 -0.124787 30O 3px 0.024782 0.004553 0.115214 0.091643 0.156157 -0.052653 30O 3py -0.051438 0.011336 -0.025650 -0.032578 -0.130078 0.209848 30O 1dz2 -0.012490 0.041060 0.036691 0.036927 0.036561 0.002991 30O 1dxz 0.044985 -0.062056 0.048052 0.018801 0.043892 0.028750 30O 1dyz 0.001367 0.000712 0.065330 0.035033 0.025727 -0.007541 30O 1dx2y2 0.007038 -0.004773 -0.043317 -0.022749 -0.057910 -0.026045 30O 1dxy 0.038225 -0.048301 0.009534 -0.004932 -0.012616 -0.027285 30O 2dz2 -0.000566 0.002517 -0.006596 -0.008574 -0.002066 -0.006981 30O 2dxz -0.000299 -0.004769 -0.045494 -0.030956 -0.005977 -0.005585 30O 2dyz -0.001229 0.002580 -0.017529 -0.010916 -0.001619 -0.014312 30O 2dx2y2 0.001203 0.001825 0.019441 0.012122 0.001567 0.004457 30O 2dxy 0.006878 -0.005067 0.058697 0.037612 0.011350 -0.002236 30O 1f0 -0.089367 0.132895 -0.199057 -0.091518 -0.179411 0.199438 30O 1f+1 -0.073234 0.155147 0.143798 0.129024 0.134252 -0.108170 30O 1f-1 -0.005740 -0.031175 -0.115337 -0.082562 -0.090333 0.081860 30O 1f+2 0.109858 -0.179421 -0.072196 -0.067234 -0.054555 0.125185 30O 1f-2 -0.023126 0.032427 0.084310 0.048380 0.063378 0.015437 30O 1f+3 -0.024452 0.037097 0.185596 0.094712 0.176126 -0.194866 30O 1f-3 -0.154254 0.187381 -0.220200 -0.082758 -0.104465 0.095752 31O 1s 0.000780 -0.000244 0.007107 0.004402 -0.006269 0.003744 31O 2s 0.002705 -0.000818 0.021848 0.013441 -0.019966 0.011499 31O 3s -0.023845 0.008626 -0.148979 -0.090666 0.175540 -0.097886 31O 4s 0.048071 -0.023846 0.118722 0.068291 -0.326093 0.215565 31O 5s -0.127657 0.010688 -0.426099 -0.325858 0.469830 0.115879 31O 1pz -0.013235 -0.015303 -0.016512 -0.010971 0.025846 -0.011485 31O 1px 0.000180 -0.004289 0.048522 0.029411 -0.051481 0.053955 31O 1py -0.010060 -0.012529 0.006072 0.001705 -0.020320 0.002047 31O 2pz 0.022081 0.038420 -0.062994 -0.040271 -0.023670 0.044019 31O 2px 0.005727 0.011464 0.017828 0.019062 0.085927 -0.150482 31O 2py 0.036881 0.035221 0.100059 0.071765 0.000936 -0.024320 31O 3pz 0.003989 -0.032295 0.020975 -0.039831 -0.060783 -0.125387 31O 3px 0.024464 -0.004812 0.115683 0.092097 -0.156478 -0.053272 31O 3py -0.051617 -0.011220 -0.025970 -0.032647 0.130021 0.211136 31O 1dz2 0.012429 0.041237 -0.036855 -0.036834 0.036542 -0.002799 31O 1dxz -0.044636 -0.062263 -0.048079 -0.018825 0.043886 -0.028490 31O 1dyz -0.001404 0.000734 -0.065264 -0.035029 0.025582 0.007615 31O 1dx2y2 -0.006995 -0.004828 0.043400 0.022853 -0.057941 0.025745 31O 1dxy -0.038114 -0.048449 -0.009435 0.004889 -0.012637 0.027261 31O 2dz2 0.000556 0.002504 0.006595 0.008574 -0.002067 0.006960 31O 2dxz 0.000340 -0.004812 0.045638 0.031047 -0.005999 0.005670 31O 2dyz 0.001190 0.002567 0.017584 0.011010 -0.001638 0.014390 31O 2dx2y2 -0.001244 0.001822 -0.019515 -0.012169 0.001606 -0.004481 31O 2dxy -0.006900 -0.005026 -0.058782 -0.037722 0.011317 0.002191 31O 1f0 -0.088910 -0.133177 -0.199138 -0.091754 0.179129 0.200331 31O 1f+1 -0.072611 -0.155830 0.144161 0.128860 -0.134000 -0.108682 31O 1f-1 -0.005941 0.031167 -0.115445 -0.082524 0.090081 0.082250 31O 1f+2 0.108990 0.179888 -0.072366 -0.066941 0.054169 0.125233 31O 1f-2 -0.023014 -0.032624 0.084341 0.048336 -0.063272 0.015196 31O 1f+3 -0.024093 -0.037324 0.185711 0.094721 -0.175759 -0.195652 31O 1f-3 -0.153577 -0.187957 -0.220161 -0.082998 0.104297 0.096399 32O 1s 0.000013 -0.000108 -0.000028 0.000159 -0.000754 -0.000225 32O 2s 0.000066 -0.000313 -0.000074 0.000481 -0.002174 -0.000798 32O 3s -0.001471 0.002597 0.000154 -0.004488 0.020105 0.009431 32O 4s 0.003557 -0.005588 -0.007067 0.014119 -0.057048 -0.019234 32O 5s 0.009891 0.014078 0.056454 -0.038170 0.112720 -0.004230 32O 1pz 0.003688 0.000137 -0.000683 -0.002222 -0.003127 0.001225 32O 1px 0.002164 0.000415 0.002633 -0.001416 0.007856 0.000155 32O 1py 0.000266 0.000970 0.002947 0.000500 -0.001294 0.004107 32O 2pz -0.023586 -0.002219 0.002635 0.008999 0.007395 -0.005755 32O 2px -0.012276 -0.002228 -0.010470 0.006826 -0.017369 0.000531 32O 2py 0.001595 -0.001888 -0.007310 -0.002464 0.003853 -0.014801 32O 3pz -0.032868 -0.005438 -0.002602 -0.050871 -0.019809 0.011614 32O 3px -0.016656 -0.005559 -0.005127 -0.030594 0.061876 -0.023549 32O 3py 0.013689 0.007048 0.054673 -0.004466 -0.000659 0.015508 32O 1dz2 -0.005746 -0.002043 -0.004991 -0.005557 0.014739 -0.001813 32O 1dxz 0.007318 -0.000056 -0.001559 0.011311 0.019449 -0.004379 32O 1dyz 0.005192 0.001495 -0.001079 0.009265 0.000430 -0.000598 32O 1dx2y2 0.003889 -0.000586 0.002048 0.004475 -0.018628 0.006320 32O 1dxy 0.003231 0.000183 0.007699 0.001790 -0.004116 0.000056 32O 2dz2 -0.007470 -0.000320 -0.001764 -0.002840 -0.000424 -0.001178 32O 2dxz 0.009143 0.001045 -0.000722 0.005223 -0.002336 0.000733 32O 2dyz -0.007490 -0.001220 0.001305 0.003929 0.000389 -0.001058 32O 2dx2y2 0.003426 0.001137 0.001907 0.001495 0.004008 -0.001832 32O 2dxy -0.005123 -0.001265 -0.003644 0.001848 -0.000590 -0.000174 32O 1f0 -0.038707 -0.001568 0.005266 -0.024271 -0.003631 0.004904 32O 1f+1 0.004525 -0.008799 -0.006163 0.052431 0.011118 -0.010091 32O 1f-1 -0.001206 -0.003558 -0.014465 -0.004605 0.019947 -0.002416 32O 1f+2 -0.067195 -0.008604 -0.022790 -0.079341 0.022500 -0.006458 32O 1f-2 0.012406 -0.001537 -0.015095 0.030972 0.023971 -0.006300 32O 1f+3 0.029251 0.009529 -0.001036 0.040903 0.030457 -0.006318 32O 1f-3 -0.022609 -0.005142 -0.023606 -0.018355 0.012840 -0.007446 33O 1s 0.000381 -0.000089 -0.004339 0.007612 -0.006519 0.003290 33O 2s 0.001279 -0.000273 -0.013337 0.023399 -0.020779 0.010078 33O 3s -0.011609 0.000907 0.092463 -0.163821 0.183989 -0.086255 33O 4s 0.030669 0.007821 -0.082920 0.163143 -0.346747 0.196477 33O 5s -0.086459 0.016894 0.248495 -0.483103 0.475614 0.096564 33O 1pz -0.014793 -0.010811 0.009635 -0.016241 0.028868 -0.007963 33O 1px -0.009789 -0.007211 -0.032022 0.053602 -0.055522 0.046742 33O 1py 0.026130 0.018042 -0.005617 0.012469 -0.004522 0.014500 33O 2pz 0.028696 0.032592 0.052199 -0.092706 -0.016223 0.041000 33O 2px 0.026572 0.011988 -0.006882 0.016605 0.092152 -0.136468 33O 2py -0.063750 -0.044378 0.028051 -0.057073 0.028921 -0.028439 33O 3pz -0.002252 -0.020106 -0.004784 -0.007319 -0.128122 -0.217803 33O 3px -0.000589 -0.015289 -0.072543 0.109200 -0.127438 -0.007401 33O 3py 0.050831 0.022112 0.004202 0.070698 -0.129706 -0.132444 33O 1dz2 0.015466 0.026243 -0.008600 -0.010045 0.022970 -0.014809 33O 1dxz -0.046934 -0.034800 0.028500 -0.040962 0.040235 -0.028842 33O 1dyz -0.025987 -0.034457 -0.020920 0.052006 -0.012808 -0.022628 33O 1dx2y2 -0.059980 -0.042257 -0.034932 0.065658 -0.066140 0.017623 33O 1dxy 0.083322 0.068405 -0.035003 0.033711 -0.035218 -0.006822 33O 2dz2 -0.002938 -0.000801 0.002756 -0.000894 0.001723 -0.003335 33O 2dxz 0.000631 -0.003825 -0.036977 0.066497 -0.010572 0.004908 33O 2dyz -0.001180 -0.002847 -0.004262 0.002770 -0.000580 -0.010317 33O 2dx2y2 -0.004286 -0.001056 0.022462 -0.036442 0.002870 -0.009084 33O 2dxy 0.004494 0.004019 -0.009229 0.016850 -0.006735 -0.009927 33O 1f0 -0.160206 -0.153649 -0.008050 0.080347 -0.022254 -0.033421 33O 1f+1 -0.096465 -0.099861 -0.000564 0.065656 -0.058118 -0.072601 33O 1f-1 0.065976 0.033764 -0.139265 0.235264 -0.236698 -0.293057 33O 1f+2 0.052012 0.032427 0.014863 -0.005804 -0.016108 0.041936 33O 1f-2 0.114720 0.108089 0.054686 -0.132425 0.064283 0.016277 33O 1f+3 -0.282305 -0.225756 -0.033119 0.113501 -0.130937 -0.125914 33O 1f-3 0.223567 0.179889 -0.172698 0.213323 -0.206612 -0.164318 34O 1s 0.000764 -0.000141 0.007519 0.004315 -0.006252 -0.003428 34O 2s 0.002588 -0.000499 0.023047 0.013332 -0.019946 -0.010626 34O 3s -0.021034 0.005844 -0.157773 -0.094138 0.176423 0.093721 34O 4s 0.038276 -0.018345 0.129488 0.092185 -0.327225 -0.220534 34O 5s -0.124485 -0.014127 -0.433065 -0.225807 0.458899 -0.164254 34O 1pz -0.010421 -0.016911 0.017363 0.007607 -0.010513 -0.018936 34O 1px -0.005725 -0.000518 -0.055333 -0.032001 0.059769 0.045512 34O 1py -0.009736 -0.011560 -0.011374 -0.007990 -0.000182 0.015859 34O 2pz 0.024550 0.045456 -0.036695 -0.016790 0.031816 0.043573 34O 2px -0.004562 -0.003853 -0.066501 -0.028483 -0.080006 -0.154810 34O 2py 0.032572 0.031675 0.078994 0.050201 -0.029220 -0.024872 34O 3pz 0.013248 -0.027678 0.081137 0.013335 -0.128829 0.119054 34O 3px 0.001298 -0.002632 -0.098144 -0.019620 0.033643 0.079838 34O 3py -0.060845 -0.017691 -0.051962 -0.078160 0.176682 -0.190415 34O 1dz2 -0.033415 -0.036147 -0.057521 -0.032512 0.040678 0.006026 34O 1dxz 0.035487 0.064092 -0.015746 -0.025971 0.037215 0.007907 34O 1dyz -0.006523 -0.003839 -0.060014 -0.030248 0.026738 -0.019514 34O 1dx2y2 -0.001664 0.005719 0.056082 0.025424 -0.057209 -0.034988 34O 1dxy 0.030377 0.048571 -0.000867 -0.009218 -0.014936 -0.003455 34O 2dz2 0.000625 -0.002465 0.033852 0.019755 -0.004648 -0.005530 34O 2dxz 0.003803 0.006650 0.008504 0.004729 0.000418 -0.006103 34O 2dyz -0.000854 0.000073 -0.015772 -0.011165 0.006213 -0.013570 34O 2dx2y2 -0.005933 -0.000780 -0.066473 -0.032162 0.008137 0.000475 34O 2dxy 0.003839 0.003411 0.024193 0.015147 -0.007137 0.001410 34O 1f0 -0.007191 -0.039864 0.054848 0.048580 -0.044551 -0.020063 34O 1f+1 -0.155064 -0.241323 -0.113462 -0.019412 0.093937 -0.080792 34O 1f-1 -0.022135 -0.030800 0.076224 0.025894 -0.045704 0.022509 34O 1f+2 0.096558 0.130770 -0.060699 -0.072509 0.132417 -0.189429 34O 1f-2 0.003545 0.046679 -0.327938 -0.210905 0.288009 -0.285740 34O 1f+3 0.079150 0.081359 0.083560 0.042564 -0.029676 0.080872 34O 1f-3 -0.098551 -0.156189 -0.052950 0.007075 0.044505 -0.073136 35O 1s 0.000500 -0.000084 -0.004216 0.007406 -0.006576 -0.003713 35O 2s 0.001729 -0.000228 -0.012977 0.022793 -0.021018 -0.011401 35O 3s -0.016953 -0.000294 0.089747 -0.157417 0.186795 0.097170 35O 4s 0.040098 0.009060 -0.071495 0.127720 -0.349805 -0.215342 35O 5s -0.042269 0.027104 0.211700 -0.467631 0.475600 -0.158696 35O 1pz -0.014064 -0.011875 -0.010116 0.017523 -0.006155 -0.022662 35O 1px -0.011828 -0.005910 0.030365 -0.051887 0.062697 0.049066 35O 1py 0.025528 0.018921 0.006043 -0.006940 0.020036 0.004303 35O 2pz 0.034464 0.035221 0.041333 -0.074624 0.035529 0.046587 35O 2px 0.029673 0.025344 0.029911 -0.066790 -0.093917 -0.148177 35O 2py -0.064765 -0.045044 0.033737 -0.074628 -0.015093 -0.027382 35O 3pz 0.004785 -0.020108 -0.076351 0.105240 -0.189182 0.190220 35O 3px -0.008823 -0.003429 0.025444 -0.106092 0.073309 0.038352 35O 3py 0.054278 0.033713 -0.001150 0.057777 -0.092553 0.133623 35O 1dz2 -0.043241 -0.023848 0.002492 -0.009315 0.025196 0.026423 35O 1dxz 0.033206 0.036578 0.008207 -0.033926 0.040777 0.007130 35O 1dyz 0.049440 0.032282 -0.031895 0.047820 -0.011602 0.017562 35O 1dx2y2 0.037416 0.040000 -0.047641 0.057771 -0.069803 -0.027538 35O 1dxy -0.080778 -0.070675 -0.017840 0.054194 -0.033160 -0.014184 35O 2dz2 -0.002198 -0.003429 -0.023062 0.048429 -0.006958 0.001610 35O 2dxz 0.005404 0.006514 0.007983 -0.011475 0.003628 -0.005910 35O 2dyz 0.005166 0.003626 -0.007626 0.011303 -0.002990 0.010165 35O 2dx2y2 0.002734 0.005980 0.025613 -0.045740 0.005067 0.009580 35O 2dxy -0.005135 -0.003181 0.022838 -0.043421 0.004106 0.007396 35O 1f0 -0.040792 -0.053392 0.009835 0.044214 -0.044590 0.048669 35O 1f+1 -0.236258 -0.207906 -0.061669 0.172337 -0.081470 0.071133 35O 1f-1 -0.043771 -0.026230 -0.025784 0.042734 -0.060847 0.155917 35O 1f+2 -0.025365 -0.022621 0.159683 -0.251881 0.234123 -0.231828 35O 1f-2 0.232600 0.177433 -0.158021 0.221516 -0.173959 0.153436 35O 1f+3 -0.095216 -0.091222 0.071577 -0.075495 0.101049 -0.054621 35O 1f-3 0.273775 0.228338 0.019224 -0.118274 0.105513 -0.060870 654 655 656 657 658 659 5.58156 5.60377 5.70389 5.70573 5.78304 5.81722 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s 0.000025 -0.000010 -0.000029 -0.000081 0.001652 0.000065 0Rh 2s -0.000284 0.000135 0.000294 0.000467 -0.018063 -0.000730 0Rh 3s -0.000020 0.000020 -0.000003 -0.000212 -0.000702 -0.000039 0Rh 4s 0.001686 -0.000795 -0.001787 -0.002980 0.109074 0.004406 0Rh 5s -0.004562 0.002165 0.004962 0.007894 -0.301181 -0.012202 0Rh 6s 0.006162 -0.002934 -0.006951 -0.009072 0.411405 0.016803 0Rh 7s -0.015892 0.007687 -0.005207 -0.003163 -1.025953 -0.040076 0Rh 8s 0.003924 0.005997 -0.008411 -0.022331 -0.016437 -0.003591 0Rh 1pz -0.000937 -0.000714 0.052885 -0.013163 0.000347 -0.001845 0Rh 1px 0.000239 -0.000099 0.014878 -0.011294 0.004916 -0.000146 0Rh 1py -0.000739 -0.001197 0.015650 0.054909 0.002288 -0.001396 0Rh 2pz 0.003878 0.002975 -0.218943 0.054481 -0.001279 0.007678 0Rh 2px -0.000985 0.000413 -0.061558 0.046792 -0.020978 0.000587 0Rh 2py 0.003055 0.004958 -0.064788 -0.227338 -0.009610 0.005792 0Rh 3pz -0.012284 -0.009761 0.690385 -0.171431 0.000502 -0.024892 0Rh 3px 0.002993 -0.001372 0.193308 -0.148381 0.079533 -0.001412 0Rh 3py -0.009600 -0.015713 0.204197 0.717018 0.033175 -0.018382 0Rh 4pz 0.015643 0.013067 -0.857189 0.211255 0.012340 0.032534 0Rh 4px -0.003453 0.001810 -0.236899 0.187363 -0.144508 0.000152 0Rh 4py 0.011914 0.020039 -0.252932 -0.890139 -0.050557 0.022495 0Rh 5pz -0.009359 -0.007619 0.443478 -0.103785 -0.038410 -0.018881 0Rh 5px 0.001504 -0.000809 0.112735 -0.105984 0.177396 0.003588 0Rh 5py -0.006181 -0.012278 0.128694 0.458173 0.043747 -0.009061 0Rh 6pz 0.005761 -0.000986 -0.564964 0.062308 0.158367 0.009790 0Rh 6px -0.004153 -0.003888 -0.030510 0.216616 -0.375128 -0.012496 0Rh 6py -0.003661 0.040367 -0.139956 -0.535657 0.054828 0.000971 0Rh 1dz2 0.004749 0.013752 -0.000236 0.000912 -0.000252 0.004963 0Rh 1dxz -0.000796 -0.000919 0.002116 0.000249 -0.000293 -0.000572 0Rh 1dyz 0.011116 0.032966 0.000420 0.000078 -0.000556 0.011400 0Rh 1dx2y2 0.001746 0.004954 -0.000189 -0.001154 -0.000028 0.001577 0Rh 1dxy 0.004510 0.013227 0.000535 0.001555 -0.000146 0.004561 0Rh 2dz2 -0.003103 -0.007017 -0.000777 -0.000101 0.001946 -0.004218 0Rh 2dxz 0.000385 0.000589 0.001101 -0.000152 0.002222 0.000568 0Rh 2dyz -0.007722 -0.017223 0.000134 -0.000935 0.000868 -0.010336 0Rh 2dx2y2 -0.001271 -0.002480 0.000422 -0.000762 -0.003287 -0.001655 0Rh 2dxy -0.003031 -0.006765 0.000480 0.001101 -0.001197 -0.004071 0Rh 3dz2 -0.008601 -0.034111 0.004752 -0.004037 -0.008231 -0.004709 0Rh 3dxz 0.002105 0.001704 -0.015653 -0.000604 -0.009388 0.000164 0Rh 3dyz -0.017943 -0.079875 -0.002753 0.004032 -0.001437 -0.007643 0Rh 3dx2y2 -0.002533 -0.012528 -0.000987 0.009355 0.016248 0.000039 0Rh 3dxy -0.007764 -0.032776 -0.004904 -0.012761 0.006595 -0.003372 0Rh 4dz2 0.003966 0.037223 -0.011605 0.008063 0.027810 -0.010901 0Rh 4dxz -0.002904 -0.000611 0.036079 0.001811 0.031624 0.002252 0Rh 4dyz 0.002363 0.083517 0.006601 -0.012103 0.007689 -0.035596 0Rh 4dx2y2 -0.000590 0.014111 0.002755 -0.023145 -0.052239 -0.008500 0Rh 4dxy 0.002439 0.036048 0.011654 0.028907 -0.020349 -0.013204 0Rh 5dz2 0.062599 0.102234 0.011671 -0.009305 -0.084522 0.130353 0Rh 5dxz -0.002013 -0.013351 -0.049285 -0.011804 -0.094517 -0.015835 0Rh 5dyz 0.169001 0.260562 -0.012223 0.026812 -0.032678 0.335948 0Rh 5dx2y2 0.029741 0.035140 -0.000664 0.044442 0.149944 0.057821 0Rh 5dxy 0.064521 0.094604 -0.016003 -0.029919 0.052687 0.130402 0Rh 1f0 -0.000697 0.001051 0.000540 -0.002285 -0.000019 0.002411 0Rh 1f+1 0.000582 -0.001289 0.000214 -0.001034 0.000786 -0.003862 0Rh 1f-1 -0.001207 0.001240 -0.004365 -0.002624 0.002181 0.003389 0Rh 1f+2 -0.000227 0.001324 0.002029 -0.002472 -0.000365 0.002716 0Rh 1f-2 0.001757 -0.003394 0.000035 -0.002066 0.001024 -0.008334 0Rh 1f+3 -0.000189 0.000171 -0.001831 0.000301 0.001017 0.001173 0Rh 1f-3 -0.001135 0.001885 0.000348 0.000287 -0.000271 0.004110 1Rh 1s 0.000028 0.000009 0.000028 0.000077 0.001650 0.000064 1Rh 2s -0.000330 -0.000126 -0.000284 -0.000440 -0.018052 -0.000724 1Rh 3s -0.000027 -0.000020 0.000002 0.000205 -0.000708 -0.000039 1Rh 4s 0.001961 0.000742 0.001727 0.002810 0.109006 0.004370 1Rh 5s -0.005307 -0.002022 -0.004810 -0.007446 -0.301006 -0.012101 1Rh 6s 0.007164 0.002748 0.006817 0.008570 0.411233 0.016669 1Rh 7s -0.018332 -0.007691 0.004235 0.004006 -1.025439 -0.039839 1Rh 8s 0.004106 -0.006032 0.009814 0.022201 -0.016607 -0.003508 1Rh 1pz 0.000899 -0.000637 0.052941 -0.013161 -0.000316 0.001762 1Rh 1px -0.000249 -0.000055 0.014769 -0.011384 -0.004968 0.000168 1Rh 1py 0.000763 -0.001089 0.015662 0.054899 -0.002253 0.001391 1Rh 2pz -0.003723 0.002656 -0.219175 0.054473 0.001151 -0.007336 1Rh 2px 0.001024 0.000234 -0.061108 0.047166 0.021194 -0.000679 1Rh 2py -0.003155 0.004510 -0.064837 -0.227295 0.009467 -0.005775 1Rh 3pz 0.011799 -0.008763 0.691108 -0.171414 -0.000097 0.023798 1Rh 3px -0.003125 -0.000807 0.191891 -0.149568 -0.080224 0.001709 1Rh 3py 0.009920 -0.014354 0.204353 0.716883 -0.032725 0.018337 1Rh 4pz -0.015044 0.011833 -0.858055 0.211256 -0.012837 -0.031142 1Rh 4px 0.003645 0.001106 -0.235129 0.188848 0.145393 -0.000548 1Rh 4py -0.012329 0.018494 -0.253129 -0.889967 0.050004 -0.022455 1Rh 5pz 0.009067 -0.006959 0.443890 -0.103815 0.038638 0.018140 1Rh 5px -0.001685 -0.000496 0.111735 -0.106702 -0.177895 -0.003348 1Rh 5py 0.006449 -0.011743 0.128805 0.458047 -0.043514 0.009046 1Rh 6pz -0.005416 -0.002224 -0.567718 0.059800 -0.159988 -0.009254 1Rh 6px 0.004667 -0.003130 -0.029810 0.214656 0.375540 0.012418 1Rh 6py 0.002725 0.039057 -0.141435 -0.533335 -0.053538 -0.000641 1Rh 1dz2 0.004719 -0.013768 0.000242 -0.000916 -0.000255 0.004966 1Rh 1dxz -0.000831 0.000916 -0.002112 -0.000239 -0.000303 -0.000569 1Rh 1dyz 0.011101 -0.032995 -0.000421 -0.000086 -0.000581 0.011423 1Rh 1dx2y2 0.001798 -0.004934 0.000197 0.001136 -0.000026 0.001574 1Rh 1dxy 0.004497 -0.013243 -0.000547 -0.001551 -0.000132 0.004542 1Rh 2dz2 -0.003088 0.007014 0.000775 0.000100 0.001948 -0.004215 1Rh 2dxz 0.000403 -0.000595 -0.001104 0.000151 0.002222 0.000572 1Rh 2dyz -0.007714 0.017233 -0.000138 0.000931 0.000875 -0.010344 1Rh 2dx2y2 -0.001293 0.002478 -0.000424 0.000764 -0.003288 -0.001655 1Rh 2dxy -0.003033 0.006767 -0.000481 -0.001104 -0.001201 -0.004064 1Rh 3dz2 -0.008530 0.034205 -0.004775 0.004063 -0.008227 -0.004739 1Rh 3dxz 0.002187 -0.001664 0.015641 0.000554 -0.009337 0.000130 1Rh 3dyz -0.017906 0.079973 0.002776 -0.003970 -0.001352 -0.007723 1Rh 3dx2y2 -0.002686 0.012435 0.000954 -0.009278 0.016243 0.000052 1Rh 3dxy -0.007687 0.032848 0.004973 0.012758 0.006539 -0.003304 1Rh 4dz2 0.003892 -0.037445 0.011637 -0.008128 0.027812 -0.010817 1Rh 4dxz -0.002988 0.000497 -0.036071 -0.001695 0.031504 0.002350 1Rh 4dyz 0.002325 -0.083693 -0.006680 0.011937 0.007535 -0.035438 1Rh 4dx2y2 -0.000374 -0.013918 -0.002688 0.022978 -0.052228 -0.008532 1Rh 4dxy 0.002263 -0.036206 -0.011817 -0.028924 -0.020230 -0.013332 1Rh 5dz2 0.062427 -0.101746 -0.011549 0.009538 -0.084589 0.130071 1Rh 5dxz -0.002210 0.013685 0.049358 0.011585 -0.094208 -0.016102 1Rh 5dyz 0.168864 -0.260380 0.012504 -0.026338 -0.032540 0.335536 1Rh 5dx2y2 0.029763 -0.035449 0.000565 -0.044191 0.149939 0.057860 1Rh 5dxy 0.064844 -0.094330 0.016298 0.030082 0.052399 0.130549 1Rh 1f0 0.000706 0.001023 0.000555 -0.002279 0.000024 -0.002398 1Rh 1f+1 -0.000597 -0.001291 0.000189 -0.001030 -0.000776 0.003849 1Rh 1f-1 0.001200 0.001219 -0.004406 -0.002646 -0.002202 -0.003405 1Rh 1f+2 0.000205 0.001313 0.002038 -0.002414 0.000422 -0.002739 1Rh 1f-2 -0.001771 -0.003392 0.000044 -0.002044 -0.000957 0.008293 1Rh 1f+3 0.000165 0.000173 -0.001874 0.000281 -0.001041 -0.001193 1Rh 1f-3 0.001153 0.001849 0.000320 0.000281 0.000276 -0.004114 2C 1s 0.005841 -0.001351 0.001311 0.000505 -0.002059 0.001791 2C 2s 0.010871 -0.001567 -0.002427 -0.000812 -0.001955 0.001481 2C 3s 0.031790 -0.019353 0.088580 0.032979 0.070762 -0.009876 2C 4s -0.554555 0.092773 0.001020 -0.011860 -0.634658 0.336701 2C 5s 0.891206 0.138732 -0.586885 -0.206916 0.445767 -1.128558 2C 1pz -0.036971 0.008150 0.018346 0.005536 0.011074 -0.002408 2C 1px -0.004118 -0.025928 0.004978 0.001132 -0.000264 0.002863 2C 1py -0.026114 -0.004889 0.011944 0.005766 0.008817 -0.002994 2C 2pz -0.310834 -0.131545 0.090611 0.041820 -0.360475 0.211550 2C 2px -0.134573 0.246045 -0.035611 -0.002487 0.003008 -0.036309 2C 2py -0.172017 0.012827 0.059349 0.003517 -0.267472 0.164140 2C 3pz 0.194718 0.027239 -0.149083 -0.071597 0.082672 -0.254758 2C 3px 0.068384 0.001296 -0.015688 -0.012979 -0.031671 -0.008756 2C 3py 0.120260 0.016728 -0.108373 -0.009306 0.067251 -0.168998 2C 1dz2 -0.040072 -0.024647 -0.017062 -0.005509 0.009991 -0.015281 2C 1dxz -0.016931 0.036324 -0.009937 -0.003893 0.007203 -0.009572 2C 1dyz -0.059909 -0.006531 -0.023846 -0.008915 0.011761 -0.023677 2C 1dx2y2 0.020299 0.001973 0.011784 0.004125 -0.011512 0.013906 2C 1dxy -0.011693 0.027217 -0.003094 0.001869 -0.000375 -0.002366 2C 2dz2 -0.057378 -0.118343 0.000786 -0.002438 -0.061971 0.037398 2C 2dxz 0.012432 0.153276 0.084539 0.028880 -0.140024 0.111569 2C 2dyz -0.117037 -0.037796 -0.038580 -0.011549 -0.040767 0.011440 2C 2dx2y2 0.001935 0.019647 -0.022905 -0.009573 0.061634 -0.046278 2C 2dxy -0.036245 0.118836 0.018462 0.012097 -0.026477 0.014395 2C 1f0 -0.011390 -0.065154 -0.034337 -0.014921 0.023554 -0.023524 2C 1f+1 -0.020672 0.061119 -0.066896 -0.022013 0.058686 -0.057824 2C 1f-1 -0.033174 -0.025651 -0.047895 -0.016778 0.012160 -0.020101 2C 1f+2 0.032887 0.010253 0.075133 0.028094 -0.053291 0.056231 2C 1f-2 -0.016446 0.112017 -0.023600 -0.007491 0.001048 -0.009254 2C 1f+3 0.006886 0.015276 0.009417 0.002868 -0.008930 0.009151 2C 1f-3 -0.012588 -0.035695 -0.050294 -0.016910 0.051395 -0.047649 3C 1s -0.006074 0.000639 0.000560 -0.001242 -0.001953 -0.001946 3C 2s -0.011343 0.000578 -0.000696 0.002518 -0.001907 -0.001629 3C 3s -0.031493 0.006894 0.032817 -0.087248 0.067892 0.015485 3C 4s 0.569011 -0.003642 -0.007094 -0.009683 -0.600855 -0.395034 3C 5s -0.920250 -0.165238 -0.193147 0.587497 0.364271 1.164388 3C 1pz 0.026438 -0.007240 0.004755 -0.010706 0.009617 0.005902 3C 1px 0.013421 0.026187 0.003769 -0.006259 0.001738 -0.001019 3C 1py -0.037169 0.003016 -0.005098 0.018629 -0.009872 -0.002080 3C 2pz 0.099832 0.122381 0.015166 -0.071433 -0.277091 -0.225766 3C 2px 0.151617 -0.227204 -0.005753 -0.011557 -0.078118 -0.041572 3C 2py -0.352185 -0.118222 -0.052218 0.082587 0.326780 0.221632 3C 3pz -0.089979 -0.021243 -0.003387 0.099908 0.070519 0.180590 3C 3px -0.096136 -0.007787 -0.014561 0.055129 0.007639 0.066317 3C 3py 0.211431 0.032367 0.068505 -0.145398 -0.049826 -0.249366 3C 1dz2 -0.010321 0.011205 -0.002259 -0.001680 0.003109 0.001426 3C 1dxz 0.022217 -0.018114 -0.002238 0.010794 0.007460 0.012147 3C 1dyz -0.057197 -0.023900 0.006257 -0.019512 -0.008491 -0.021146 3C 1dx2y2 -0.039958 -0.025941 0.008485 -0.019304 -0.011556 -0.019217 3C 1dxy -0.033666 0.031370 0.004644 -0.014316 -0.005766 -0.014212 3C 2dz2 -0.036997 0.049876 -0.009430 0.026702 0.027065 0.020911 3C 2dxz 0.013602 -0.072252 0.016295 -0.030113 -0.065953 -0.057777 3C 2dyz -0.135855 -0.103978 0.015915 -0.065027 -0.008470 -0.034851 3C 2dx2y2 -0.025553 -0.117880 -0.011337 0.027516 0.111383 0.094019 3C 2dxy -0.030687 0.140227 -0.012853 0.043970 0.094356 0.088026 3C 1f0 -0.005228 -0.008382 -0.000785 0.003499 0.023088 0.020383 3C 1f+1 0.014351 0.024131 -0.014066 0.041507 0.038672 0.043850 3C 1f-1 -0.005480 -0.047477 -0.000211 -0.003587 -0.008736 -0.007555 3C 1f+2 -0.032371 -0.047659 0.016096 -0.041822 -0.009178 -0.019123 3C 1f-2 -0.033761 0.066402 0.025792 -0.069378 -0.041863 -0.055150 3C 1f+3 0.026800 -0.061651 -0.020111 0.064340 0.042868 0.052357 3C 1f-3 -0.021956 -0.089453 0.023255 -0.061860 -0.050485 -0.057812 4C 1s 0.008735 0.000327 -0.028693 -0.010136 0.018077 -0.012858 4C 2s 0.018472 0.000852 -0.050898 -0.018080 0.031472 -0.020456 4C 3s -0.320585 -0.003341 0.128961 0.054783 -0.084477 -0.121851 4C 4s 1.034915 0.029474 0.773005 0.229053 -0.358498 1.144575 4C 5s -0.220395 -0.056052 -0.073268 -0.059236 -0.196015 0.252938 4C 1pz 0.001651 -0.008572 0.031058 0.012038 0.018786 -0.037420 4C 1px -0.006233 0.025177 0.013036 0.006729 0.014174 -0.015042 4C 1py -0.000770 0.003204 0.022764 0.008368 0.016914 -0.029553 4C 2pz -0.343746 -0.134879 0.603368 0.195601 -0.842336 0.841199 4C 2px -0.065661 0.329817 0.052273 0.036859 -0.165334 0.126548 4C 2py -0.231227 0.047772 0.408212 0.136579 -0.585583 0.572628 4C 3pz 0.715344 0.145677 -0.623764 -0.195020 0.073652 -0.758435 4C 3px 0.131353 -0.240555 -0.155938 -0.041010 0.055671 -0.148921 4C 3py 0.484745 0.002610 -0.403602 -0.218135 0.050362 -0.519351 4C 1dz2 -0.003371 0.002730 0.115165 0.037957 -0.104294 0.099039 4C 1dxz 0.011446 -0.004392 0.026565 0.011425 -0.030909 0.027580 4C 1dyz -0.034134 -0.004168 0.221626 0.079627 -0.163531 0.162561 4C 1dx2y2 -0.022308 -0.002639 -0.011429 -0.005401 0.039610 -0.033660 4C 1dxy -0.020146 -0.002877 0.065134 0.023871 -0.031955 0.034546 4C 2dz2 0.062956 -0.280035 -0.144005 -0.034534 0.197717 -0.156838 4C 2dxz 0.017311 0.480421 -0.157208 -0.029541 0.124741 -0.136141 4C 2dyz 0.117914 -0.006935 -0.050920 -0.030196 0.140208 -0.110053 4C 2dx2y2 -0.010663 0.031291 0.260688 0.096858 -0.255664 0.236899 4C 2dxy 0.037371 0.361245 0.101699 0.041114 -0.092067 0.079232 4C 1f0 -0.034503 0.050820 -0.082597 -0.018804 0.073890 -0.076475 4C 1f+1 -0.058644 -0.061757 -0.182074 -0.058164 0.162002 -0.161055 4C 1f-1 -0.194410 0.066662 0.048428 0.018523 -0.030052 -0.009772 4C 1f+2 0.112167 0.032312 0.115849 0.042076 -0.113914 0.129741 4C 1f-2 -0.065009 -0.135027 0.015465 0.002547 -0.011936 -0.000347 4C 1f+3 -0.023472 0.013627 0.034128 0.010766 -0.034198 0.027197 4C 1f-3 -0.028377 0.076093 -0.160720 -0.061878 0.143278 -0.137489 5C 1s -0.008882 -0.000585 -0.010340 0.029013 0.017244 0.014764 5C 2s -0.018852 -0.001350 -0.018344 0.051572 0.030152 0.023823 5C 3s 0.331820 0.023518 0.048620 -0.136583 -0.088576 0.114473 5C 4s -1.077472 -0.104286 0.265801 -0.761674 -0.302580 -1.195884 5C 5s 0.237076 0.063024 -0.029254 0.065335 -0.193707 -0.271782 5C 1pz -0.001617 0.005746 0.004518 -0.020160 0.012185 0.024780 5C 1px 0.001602 -0.024805 0.010472 -0.010594 0.003625 0.018216 5C 1py -0.000571 -0.002743 -0.012019 0.034840 -0.018699 -0.040835 5C 2pz 0.201239 0.154330 0.135163 -0.381305 -0.504922 -0.577191 5C 2px 0.137486 -0.337180 0.082566 -0.226574 -0.256702 -0.342137 5C 2py -0.352925 -0.120371 -0.211799 0.582578 0.788071 0.909668 5C 3pz -0.450618 -0.128616 -0.183574 0.344699 0.004159 0.459926 5C 3px -0.265356 0.206660 -0.091035 0.244496 -0.006109 0.294483 5C 3py 0.739136 0.128885 0.171450 -0.635138 -0.025778 -0.764169 5C 1dz2 -0.024607 -0.001582 -0.024427 0.068049 0.033908 0.039959 5C 1dxz -0.010063 0.000832 0.015913 -0.034573 -0.043689 -0.045721 5C 1dyz -0.037708 -0.004335 -0.073925 0.211385 0.135777 0.163412 5C 1dx2y2 0.012605 -0.000664 -0.025059 0.083090 0.079995 0.089370 5C 1dxy -0.006398 -0.006130 -0.039566 0.098596 0.077821 0.087776 5C 2dz2 0.037381 0.177155 -0.064646 0.137836 0.086474 0.112969 5C 2dxz -0.023487 -0.247409 -0.071427 0.163405 0.182868 0.183385 5C 2dyz 0.116166 -0.203477 0.012333 -0.008059 -0.067575 -0.064103 5C 2dx2y2 0.045696 -0.273013 0.084995 -0.277230 -0.260557 -0.288028 5C 2dxy 0.059728 0.484867 0.033120 -0.075178 -0.136445 -0.122845 5C 1f0 -0.108497 0.034471 -0.042761 0.122352 0.097020 0.082294 5C 1f+1 0.016894 -0.059537 -0.054334 0.123555 0.105977 0.123056 5C 1f-1 -0.020505 0.061651 0.001591 0.013018 0.007451 0.002041 5C 1f+2 -0.137805 0.038141 -0.012710 0.033217 0.019017 -0.006934 5C 1f-2 -0.126302 -0.131411 0.035468 -0.098411 -0.086688 -0.119533 5C 1f+3 0.121253 0.028025 -0.043282 0.112996 0.101728 0.133815 5C 1f-3 -0.063345 0.079589 0.050746 -0.169566 -0.138234 -0.164983 6C 1s -0.008878 0.000591 0.010329 -0.029005 0.017263 0.014754 6C 2s -0.018840 0.001365 0.018324 -0.051556 0.030196 0.023811 6C 3s 0.331056 -0.024171 -0.048518 0.136521 -0.089669 0.114076 6C 4s -1.074115 0.107854 -0.265654 0.761337 -0.298484 -1.193135 6C 5s 0.235200 -0.064785 0.028594 -0.066257 -0.192799 -0.271437 6C 1pz 0.001502 0.005811 0.004448 -0.020312 -0.012102 -0.024800 6C 1px -0.001478 -0.024892 0.010585 -0.010498 -0.003651 -0.018280 6C 1py 0.000656 -0.002778 -0.011942 0.034959 0.018605 0.040895 6C 2pz -0.200389 0.154290 0.135510 -0.379645 0.504212 0.577018 6C 2px -0.137947 -0.336878 0.081598 -0.225665 0.256659 0.341258 6C 2py 0.351796 -0.120323 -0.212401 0.580991 -0.787914 -0.910110 6C 3pz 0.450077 -0.131043 -0.182985 0.346107 -0.003984 -0.461482 6C 3px 0.264581 0.205971 -0.090806 0.243985 0.006358 -0.295570 6C 3py -0.738462 0.132786 0.170019 -0.637241 0.024936 0.766684 6C 1dz2 -0.024647 0.001690 0.024438 -0.068059 0.033940 0.039979 6C 1dxz -0.010109 -0.000853 -0.015906 0.034440 -0.043703 -0.045681 6C 1dyz -0.037709 0.004352 0.073794 -0.211268 0.135758 0.163436 6C 1dx2y2 0.012551 0.000574 0.025010 -0.083125 0.080059 0.089470 6C 1dxy -0.006409 0.006018 0.039466 -0.098581 0.077900 0.087774 6C 2dz2 0.037404 -0.177744 0.064431 -0.137399 0.086052 0.112398 6C 2dxz -0.023671 0.247088 0.071596 -0.162832 0.182418 0.183072 6C 2dyz 0.115367 0.203510 -0.012145 0.007514 -0.067820 -0.064471 6C 2dx2y2 0.045334 0.273538 -0.085088 0.276560 -0.260361 -0.287925 6C 2dxy 0.060020 -0.484939 -0.033174 0.074536 -0.135986 -0.122610 6C 1f0 0.108251 0.034486 -0.042781 0.122121 -0.096938 -0.082211 6C 1f+1 -0.016631 -0.059501 -0.054243 0.123555 -0.105981 -0.122996 6C 1f-1 0.020244 0.061757 0.001626 0.012784 -0.007288 -0.001940 6C 1f+2 0.137486 0.037948 -0.012732 0.033152 -0.019191 0.006781 6C 1f-2 0.126492 -0.131770 0.035554 -0.098505 0.086716 0.119688 6C 1f+3 -0.121135 0.028374 -0.043247 0.112762 -0.101529 -0.133627 6C 1f-3 0.063042 0.079511 0.050635 -0.169522 0.138166 0.164923 7C 1s 0.008729 -0.000320 0.028663 0.010126 0.018098 -0.012870 7C 2s 0.018461 -0.000841 0.050846 0.018067 0.031520 -0.020479 7C 3s -0.320366 0.003062 -0.128619 -0.054861 -0.085454 -0.121659 7C 4s 1.034224 -0.029052 -0.772926 -0.228106 -0.354889 1.144293 7C 5s -0.220357 0.058048 0.074572 0.058762 -0.194475 0.253850 7C 1pz -0.001781 -0.008681 0.030969 0.011892 -0.018704 0.037321 7C 1px 0.006467 0.025489 0.013254 0.006915 -0.014014 0.014986 7C 1py 0.000828 0.003240 0.022988 0.008434 -0.016816 0.029567 7C 2pz 0.343033 -0.133993 0.601572 0.195160 0.841121 -0.840500 7C 2px 0.065955 0.327784 0.050747 0.035840 0.163147 -0.124920 7C 2py 0.232398 0.047447 0.406782 0.135943 0.585844 -0.573447 7C 3pz -0.714542 0.149296 -0.621449 -0.197939 -0.074057 0.758307 7C 3px -0.130533 -0.241564 -0.156672 -0.042150 -0.056167 0.148257 7C 3py -0.486094 0.004501 -0.404496 -0.221246 -0.051897 0.521879 7C 1dz2 -0.003358 -0.002609 -0.114362 -0.037694 -0.103772 0.098518 7C 1dxz 0.011397 0.004350 -0.026228 -0.011396 -0.030612 0.027297 7C 1dyz -0.034132 0.004156 -0.221736 -0.079782 -0.163981 0.162923 7C 1dx2y2 -0.022276 0.002585 0.011901 0.005616 0.040095 -0.034016 7C 1dxy -0.020146 0.002963 -0.065008 -0.023806 -0.031913 0.034510 7C 2dz2 0.063322 0.279259 0.144413 0.034440 0.197480 -0.157179 7C 2dxz 0.015891 -0.479496 0.156237 0.029253 0.123932 -0.136052 7C 2dyz 0.118097 0.007613 0.049972 0.029856 0.140212 -0.109735 7C 2dx2y2 -0.011182 -0.030923 -0.260007 -0.096326 -0.255143 0.236663 7C 2dxy 0.036185 -0.362139 -0.102262 -0.041275 -0.092029 0.079180 7C 1f0 0.033759 0.050501 -0.082645 -0.018834 -0.074069 0.076597 7C 1f+1 0.057962 -0.061586 -0.181797 -0.058032 -0.161760 0.160728 7C 1f-1 0.194550 0.067137 0.048225 0.018579 0.030033 0.009846 7C 1f+2 -0.112847 0.032480 0.115774 0.042044 0.113963 -0.129931 7C 1f-2 0.064313 -0.135602 0.014968 0.002308 0.011565 0.000669 7C 1f+3 0.023564 0.013410 0.034147 0.010761 0.034452 -0.027527 7C 1f-3 0.028950 0.076129 -0.160638 -0.061875 -0.143389 0.137862 8C 1s -0.006065 -0.000655 -0.000558 0.001243 -0.001955 -0.001945 8C 2s -0.011334 -0.000590 0.000695 -0.002518 -0.001911 -0.001630 8C 3s -0.031087 -0.007244 -0.032577 0.087548 0.068066 0.015671 8C 4s 0.566554 0.005124 0.006099 0.007453 -0.601502 -0.395847 8C 5s -0.917753 0.171369 0.192594 -0.588788 0.363811 1.167495 8C 1pz -0.026355 -0.007204 0.004721 -0.010729 -0.009608 -0.005845 8C 1px -0.013402 0.026234 0.003775 -0.006275 -0.001672 0.001084 8C 1py 0.037223 0.002925 -0.005072 0.018652 0.009950 0.002161 8C 2pz -0.100527 0.122922 0.015392 -0.070516 0.276717 0.224833 8C 2px -0.152250 -0.226925 -0.006011 -0.010172 0.076510 0.040061 8C 2py 0.349910 -0.119142 -0.052436 0.081556 -0.328095 -0.223264 8C 3pz 0.090023 -0.022067 -0.003059 0.099998 -0.070348 -0.180536 8C 3px 0.096451 -0.008251 -0.014499 0.055311 -0.006659 -0.065647 8C 3py -0.210610 0.033526 0.068195 -0.145739 0.050098 0.250551 8C 1dz2 -0.010306 -0.011173 0.002276 0.001737 0.003091 0.001383 8C 1dxz 0.022113 0.018050 0.002193 -0.010866 0.007456 0.012125 8C 1dyz -0.057086 0.024113 -0.006296 0.019539 -0.008451 -0.021087 8C 1dx2y2 -0.040045 0.026061 -0.008458 0.019313 -0.011569 -0.019251 8C 1dxy -0.033493 -0.031326 -0.004630 0.014421 -0.005759 -0.014228 8C 2dz2 -0.036782 -0.049735 0.009109 -0.026064 0.026606 0.020564 8C 2dxz 0.013222 0.072068 -0.016758 0.030739 -0.066837 -0.058630 8C 2dyz -0.135331 0.104752 -0.015967 0.065373 -0.008407 -0.034482 8C 2dx2y2 -0.026227 0.118172 0.011176 -0.026317 0.110294 0.092623 8C 2dxy -0.030030 -0.140077 0.013144 -0.044446 0.095355 0.089048 8C 1f0 0.005214 -0.008341 -0.000843 0.003476 -0.023096 -0.020360 8C 1f+1 -0.014123 0.024418 -0.013937 0.041252 -0.038597 -0.043664 8C 1f-1 0.005526 -0.047784 -0.000159 -0.003547 0.008643 0.007457 8C 1f+2 0.032384 -0.047521 0.015975 -0.041683 0.009120 0.019045 8C 1f-2 0.033567 0.066780 0.025798 -0.069633 0.041902 0.055188 8C 1f+3 -0.026461 -0.061327 -0.020044 0.064377 -0.042881 -0.052280 8C 1f-3 0.022250 -0.089664 0.023330 -0.061838 0.050548 0.057885 9C 1s 0.005846 0.001387 -0.001314 -0.000500 -0.002065 0.001798 9C 2s 0.010877 0.001613 0.002422 0.000822 -0.001962 0.001491 9C 3s 0.031851 0.019842 -0.088827 -0.033057 0.070812 -0.009965 9C 4s -0.554872 -0.095856 0.001157 0.012232 -0.634441 0.336758 9C 5s 0.891270 -0.144388 0.584310 0.210833 0.446417 -1.130966 9C 1pz 0.037033 0.008144 0.018297 0.005551 -0.011163 0.002500 9C 1px 0.003991 -0.025944 0.004947 0.001141 0.000294 -0.002891 9C 1py 0.026074 -0.004876 0.011998 0.005817 -0.008738 0.002858 9C 2pz 0.307658 -0.131760 0.089734 0.041335 0.361627 -0.212937 9C 2px 0.134921 0.246053 -0.036653 -0.003089 -0.004294 0.037427 9C 2py 0.176589 0.012442 0.058210 0.002963 0.265378 -0.161617 9C 3pz -0.193475 0.028372 -0.148221 -0.072572 -0.083619 0.255430 9C 3px -0.068510 0.001504 -0.014985 -0.012988 0.032349 0.007709 9C 3py -0.122168 0.017521 -0.108490 -0.010019 -0.066074 0.168982 9C 1dz2 -0.039755 0.024611 0.017091 0.005524 0.010069 -0.015340 9C 1dxz -0.016939 -0.036406 0.009835 0.003795 0.007221 -0.009594 9C 1dyz -0.060034 0.006636 0.023942 0.009029 0.011784 -0.023698 9C 1dx2y2 0.020503 -0.001955 -0.011859 -0.004044 -0.011531 0.013880 9C 1dxy -0.011631 -0.027266 0.003124 -0.001858 -0.000437 -0.002354 9C 2dz2 -0.057229 0.118111 0.001507 0.003332 -0.059064 0.034990 9C 2dxz 0.011780 -0.153395 -0.085205 -0.029065 -0.139826 0.111260 9C 2dyz -0.116751 0.038738 0.038026 0.011578 -0.042164 0.012639 9C 2dx2y2 0.002051 -0.019574 0.024063 0.010115 0.063271 -0.047551 9C 2dxy -0.035593 -0.119116 -0.018959 -0.012239 -0.027819 0.015715 9C 1f0 0.011202 -0.064457 -0.034261 -0.014968 -0.023947 0.023797 9C 1f+1 0.020725 0.060539 -0.066689 -0.022004 -0.058671 0.057795 9C 1f-1 0.033005 -0.026129 -0.047856 -0.016743 -0.012181 0.020041 9C 1f+2 -0.033163 0.009185 0.075563 0.028322 0.053156 -0.056213 9C 1f-2 0.016717 0.112905 -0.023445 -0.007348 -0.001222 0.009391 9C 1f+3 -0.006679 0.016307 0.009511 0.002796 0.009060 -0.009140 9C 1f-3 0.012119 -0.036453 -0.050177 -0.016950 -0.051405 0.047485 10H 1s 0.021344 0.010138 0.064776 0.023396 -0.056386 0.052553 10H 2s 0.075072 -0.066314 0.070121 0.025005 -0.100997 0.102138 10H 3s -0.081611 0.027338 0.007375 0.002645 -0.001270 0.020034 10H 1pz 0.017034 -0.018662 -0.019653 -0.006649 0.021980 -0.018285 10H 1px -0.019859 0.006499 -0.057952 -0.021093 0.057177 -0.054634 10H 1py 0.010457 -0.014901 -0.017028 -0.006237 0.016296 -0.014297 11H 1s -0.005526 -0.018347 -0.009082 -0.000624 0.027673 -0.021685 11H 2s -0.049300 -0.049877 -0.021438 0.007157 0.055614 -0.045420 11H 3s -0.012359 -0.024570 0.021042 -0.005926 -0.084216 0.104618 11H 1pz -0.000030 -0.015447 0.007220 0.007271 0.003837 -0.002660 11H 1px -0.014373 -0.013748 -0.007319 0.001150 0.023871 -0.020303 11H 1py 0.008608 0.012728 -0.000504 -0.001543 -0.006100 0.003280 12H 1s 0.006074 -0.026471 0.015395 0.002068 -0.003724 0.005504 12H 2s 0.013574 -0.050926 -0.011082 -0.007357 -0.000004 0.010529 12H 3s -0.042201 -0.032317 0.018308 0.015503 -0.054113 0.080908 12H 1pz 0.004991 0.011427 -0.018673 -0.006402 0.017710 -0.016953 12H 1px -0.005561 -0.013989 -0.010214 -0.004684 0.018972 -0.016002 12H 1py 0.012505 -0.021248 0.007229 0.000144 -0.004121 0.006656 13H 1s -0.023270 -0.012704 0.021855 -0.058383 -0.050174 -0.055324 13H 2s -0.079470 0.051016 0.028669 -0.055313 -0.098324 -0.111660 13H 3s 0.083220 -0.024023 0.005988 -0.010263 -0.004569 -0.022312 13H 1pz -0.024356 0.014746 0.006605 -0.011802 -0.017467 -0.019475 13H 1px 0.013838 0.003216 -0.018780 0.048556 0.045382 0.051277 13H 1py 0.011288 -0.011518 0.009363 -0.031939 -0.027506 -0.030488 14H 1s -0.009153 0.023887 0.004565 -0.024871 -0.011575 -0.014895 14H 2s -0.034251 0.031832 -0.002905 0.005156 -0.016568 -0.028397 14H 3s 0.051276 0.037455 0.012778 -0.018640 -0.038792 -0.075736 14H 1pz -0.018236 0.003008 0.001964 -0.008541 -0.011212 -0.013931 14H 1px -0.006499 0.019665 -0.001526 -0.000907 0.005424 0.003057 14H 1py 0.003324 0.009685 0.010189 -0.027423 -0.027300 -0.029000 15H 1s 0.010427 0.011988 -0.002172 0.012427 0.032357 0.030585 15H 2s 0.075175 0.038872 0.013723 0.016914 0.059565 0.063877 15H 3s 0.001841 0.021052 -0.010419 -0.016680 -0.080838 -0.115939 15H 1pz -0.020109 -0.011729 -0.001018 -0.006872 -0.020540 -0.019715 15H 1px 0.007437 -0.000957 0.000281 0.003153 0.011487 0.012730 15H 1py -0.010017 -0.013723 -0.009941 0.008160 -0.009088 -0.009974 16H 1s 0.006162 -0.002375 -0.009696 -0.013416 0.013137 0.015932 16H 2s -0.032624 0.030427 0.091920 0.083248 -0.095530 0.002264 16H 3s -0.010621 -0.004759 -0.009343 0.000493 0.046637 -0.002013 16H 1pz -0.002809 0.008098 0.007639 0.018702 -0.015755 0.015117 16H 1px 0.011957 -0.010847 0.021276 0.007795 0.010298 0.001189 16H 1py -0.007184 0.007450 0.015751 -0.011660 0.008280 0.005633 17H 1s -0.004907 0.001667 -0.005382 -0.015213 0.012744 -0.014507 17H 2s 0.029802 -0.031364 0.007881 0.109668 -0.090819 -0.006323 17H 3s 0.011118 0.002376 -0.001767 -0.005560 0.049515 0.007841 17H 1pz 0.004345 -0.000151 -0.003662 -0.026347 0.007292 0.009401 17H 1px -0.010020 0.012226 -0.018763 0.005203 0.018686 0.009063 17H 1py 0.005963 -0.007495 -0.020673 0.003607 0.008661 -0.008137 18H 1s -0.004574 -0.001419 0.005628 0.015012 0.012770 -0.014196 18H 2s 0.028823 0.030150 -0.008171 -0.107602 -0.090040 -0.006306 18H 3s 0.010804 -0.002370 0.001600 0.005531 0.049549 0.007753 18H 1pz -0.004000 0.000074 -0.002999 -0.026255 -0.007193 -0.009365 18H 1px 0.010124 0.012003 -0.019441 0.005287 -0.018415 -0.008763 18H 1py -0.005702 -0.007255 -0.021077 0.002501 -0.009256 0.007889 19H 1s 0.006372 0.002566 0.009748 0.013140 0.013082 0.015973 19H 2s -0.033048 -0.030853 -0.092563 -0.083157 -0.096114 0.002290 19H 3s -0.010556 0.004820 0.009304 -0.000548 0.046773 -0.002067 19H 1pz 0.002461 0.007901 0.007469 0.018550 0.015906 -0.015107 19H 1px -0.011919 -0.010879 0.020743 0.008536 -0.010471 -0.001046 19H 1py 0.007325 0.007437 0.016516 -0.010463 -0.007598 -0.005837 20H 1s 0.010278 -0.012389 0.002097 -0.012091 0.032035 0.030174 20H 2s 0.073954 -0.040001 -0.013338 -0.016967 0.059034 0.062816 20H 3s 0.002186 -0.021830 0.010196 0.016811 -0.080825 -0.115700 20H 1pz 0.019865 -0.012125 -0.001053 -0.006624 0.020236 0.019273 20H 1px -0.007662 -0.000662 0.000209 0.003382 -0.011906 -0.013129 20H 1py 0.009628 -0.014018 -0.009789 0.008096 0.008905 0.009683 21H 1s -0.008733 -0.023952 -0.004329 0.024276 -0.010868 -0.014111 21H 2s -0.032865 -0.032920 0.003321 -0.005833 -0.015268 -0.026833 21H 3s 0.050456 -0.037704 -0.012940 0.018742 -0.039523 -0.076869 21H 1pz 0.018024 0.003447 0.001959 -0.008631 0.011181 0.013860 21H 1px 0.005955 0.019904 -0.001719 -0.000553 -0.006001 -0.003724 21H 1py -0.003409 0.009682 0.010003 -0.026826 0.026757 0.028411 22H 1s -0.023367 0.012616 -0.022007 0.058592 -0.050535 -0.055646 22H 2s -0.079520 -0.051950 -0.028872 0.055865 -0.099212 -0.112152 22H 3s 0.083053 0.023765 -0.006125 0.010180 -0.003940 -0.022099 22H 1pz 0.024120 0.014903 0.006506 -0.011509 0.017209 0.019076 22H 1px -0.014053 0.002943 -0.018952 0.049059 -0.046048 -0.051905 22H 1py -0.011432 -0.011808 0.009239 -0.031730 0.027261 0.030260 23H 1s 0.005671 0.026382 -0.014339 -0.001660 -0.002307 0.004212 23H 2s 0.011035 0.052313 0.011861 0.008079 0.002574 0.007979 23H 3s -0.040735 0.032524 -0.017982 -0.015856 -0.055448 0.082525 23H 1pz -0.005160 0.011327 -0.017545 -0.006003 -0.016518 0.015881 23H 1px 0.005956 -0.013620 -0.010458 -0.004802 -0.019402 0.016451 23H 1py -0.011723 -0.021956 0.007014 -0.000111 0.003230 -0.005800 24H 1s -0.005039 0.018976 0.008349 0.000341 0.026701 -0.020833 24H 2s -0.046615 0.051279 0.021916 -0.006522 0.053936 -0.043479 24H 3s -0.013466 0.025370 -0.021236 0.005575 -0.083569 0.104315 24H 1pz -0.000734 -0.015586 0.006921 0.006986 -0.003489 0.002283 24H 1px 0.014045 -0.014620 -0.007457 0.001060 -0.023872 0.020207 24H 1py -0.007951 0.012854 -0.001245 -0.001741 0.004845 -0.002146 25H 1s 0.021434 -0.010005 -0.065254 -0.023651 -0.056881 0.052903 25H 2s 0.075386 0.067437 -0.070968 -0.025276 -0.101749 0.102859 25H 3s -0.082061 -0.027213 -0.007143 -0.002615 -0.000817 0.019621 25H 1pz -0.017323 -0.019091 -0.019042 -0.006429 -0.021429 0.017761 25H 1px 0.019918 0.006837 -0.058177 -0.021205 -0.057458 0.054850 25H 1py -0.010069 -0.014702 -0.018091 -0.006635 -0.017552 0.015460 26O 1s 0.006116 -0.003532 -0.001740 -0.000711 0.000216 0.000844 26O 2s 0.019250 -0.011212 -0.007066 -0.002819 0.001653 0.001246 26O 3s -0.165749 0.111046 0.153883 0.057510 -0.081200 0.060104 26O 4s 0.304760 -0.316448 -0.613001 -0.222560 0.384217 -0.372096 26O 5s -0.649954 -0.289163 -0.036556 -0.001070 0.516446 -0.315711 26O 1pz -0.008959 0.020343 0.023545 0.007339 -0.041280 0.031624 26O 1px 0.056958 -0.053474 -0.066315 -0.025351 0.029056 -0.013115 26O 1py 0.016255 -0.007883 -0.012338 -0.002134 -0.015051 0.015045 26O 2pz 0.043903 -0.027174 -0.020722 -0.004697 0.058186 -0.035906 26O 2px -0.060386 0.238599 0.461725 0.168791 -0.357258 0.314722 26O 2py 0.001731 0.073655 0.163729 0.053939 -0.094791 0.093154 26O 3pz -0.168372 -0.270969 0.026445 -0.032837 0.172758 -0.074091 26O 3px 0.165910 0.069672 -0.141238 -0.086452 0.053423 0.097365 26O 3py -0.041168 -0.145318 -0.066066 0.017429 0.119186 -0.007858 26O 1dz2 -0.028602 0.017661 0.040955 0.025135 -0.009343 -0.002321 26O 1dxz -0.055761 0.005168 0.133118 0.049660 -0.110720 0.105182 26O 1dyz 0.000860 0.008085 0.066513 0.018013 -0.023048 0.002950 26O 1dx2y2 0.074221 -0.023716 -0.106364 -0.031555 0.069078 -0.062099 26O 1dxy 0.026835 -0.011586 0.022246 0.007308 -0.025166 0.021019 26O 2dz2 0.012025 0.016717 0.079339 0.021534 -0.058113 0.063857 26O 2dxz -0.007890 -0.008110 -0.013646 -0.007554 0.012705 -0.019781 26O 2dyz -0.002388 0.008872 0.009424 0.006170 -0.005849 0.006913 26O 2dx2y2 -0.012336 -0.009213 -0.086103 -0.033566 0.066582 -0.068152 26O 2dxy -0.014866 -0.010359 -0.079760 -0.030054 0.061446 -0.068348 26O 1f0 -0.061061 -0.051293 0.165794 0.089968 -0.149953 0.133926 26O 1f+1 -0.057278 -0.078665 -0.185729 -0.044018 0.160533 -0.146274 26O 1f-1 -0.056195 -0.158381 -0.029504 -0.009671 0.073514 -0.073777 26O 1f+2 0.233783 0.240109 -0.174560 -0.041944 0.068631 -0.034542 26O 1f-2 -0.142655 -0.165986 -0.152238 -0.062611 0.216095 -0.224386 26O 1f+3 0.119868 0.063120 -0.250635 -0.079047 0.184819 -0.152370 26O 1f-3 0.116157 0.083365 -0.104843 -0.063875 0.023423 0.006486 27O 1s -0.006284 0.003303 -0.000711 0.001978 0.000539 -0.000737 27O 2s -0.019750 0.010656 -0.002896 0.007878 0.002625 -0.000663 27O 3s 0.169024 -0.109126 0.060306 -0.162510 -0.085633 -0.074725 27O 4s -0.306966 0.321792 -0.231289 0.632675 0.367386 0.426418 27O 5s 0.663329 0.314185 -0.028084 0.085611 0.406782 0.369554 27O 1pz 0.012157 -0.017263 0.010429 -0.022976 -0.026898 -0.023736 27O 1px -0.060502 0.052467 -0.024291 0.068745 0.021800 0.012491 27O 1py -0.002192 0.011420 -0.002446 0.016564 0.032620 0.028828 27O 2pz -0.034031 0.040146 -0.029052 0.071079 0.071958 0.065612 27O 2px 0.056933 -0.256609 0.181576 -0.494005 -0.325822 -0.370473 27O 2py 0.039547 0.008841 -0.023350 0.030246 -0.008467 0.017375 27O 3pz 0.132239 0.178675 0.058324 0.001789 0.059843 0.064171 27O 3px -0.142654 -0.039091 -0.051128 0.117784 0.075290 -0.092861 27O 3py -0.150214 -0.250193 0.035729 0.014824 -0.122872 -0.070084 27O 1dz2 0.041844 -0.008090 -0.001048 -0.017955 -0.011979 -0.011875 27O 1dxz 0.052714 -0.005735 0.036452 -0.114532 -0.079241 -0.084468 27O 1dyz 0.023800 0.007824 0.000800 0.013415 -0.015379 -0.037474 27O 1dx2y2 -0.068075 0.026441 -0.038062 0.083550 0.040608 0.034900 27O 1dxy -0.032706 0.001637 -0.040446 0.125467 0.084997 0.091158 27O 2dz2 -0.013474 -0.010032 0.030738 -0.062908 -0.046107 -0.062309 27O 2dxz 0.000888 0.001247 0.006775 -0.017492 -0.009578 -0.009321 27O 2dyz 0.002901 0.013675 -0.008721 0.016000 0.010435 0.017734 27O 2dx2y2 0.017810 0.023823 -0.041418 0.123098 0.082874 0.109098 27O 2dxy -0.015850 -0.009474 0.016851 -0.036847 -0.032224 -0.047117 27O 1f0 0.063032 -0.019157 0.050104 -0.166788 -0.143738 -0.150913 27O 1f+1 -0.106608 -0.082576 -0.064901 0.092125 0.033449 0.011424 27O 1f-1 0.038018 0.023342 0.007699 0.057436 0.053427 0.065264 27O 1f+2 -0.155114 -0.191948 -0.062717 0.203437 0.104886 0.090085 27O 1f-2 -0.285192 -0.288854 0.012785 -0.014899 -0.098604 -0.155186 27O 1f+3 -0.005054 0.066639 -0.090114 0.273426 0.223129 0.228349 27O 1f-3 -0.059781 -0.058857 -0.082981 0.166224 0.144748 0.167539 28O 1s 0.006004 0.003684 -0.001717 -0.000488 0.000429 0.000795 28O 2s 0.018844 0.011849 -0.007108 -0.002037 0.002447 0.000848 28O 3s -0.161169 -0.120727 0.156663 0.047608 -0.090972 0.068854 28O 4s 0.296006 0.350652 -0.613987 -0.189323 0.389322 -0.389435 28O 5s -0.645759 0.248668 -0.127564 -0.019798 0.419471 -0.319158 28O 1pz 0.024879 0.017093 -0.020204 -0.008090 -0.016236 0.012945 28O 1px -0.051815 -0.057291 0.067037 0.022123 -0.037242 0.022105 28O 1py -0.004952 -0.011201 0.012732 0.007725 -0.024352 0.016327 28O 2pz 0.004856 -0.132066 0.268255 0.086717 -0.165223 0.187194 28O 2px 0.065818 0.235357 -0.418844 -0.133231 0.312891 -0.290422 28O 2py 0.029694 0.006580 0.003924 -0.008433 0.018894 0.003978 28O 3pz -0.045832 0.212529 -0.027201 -0.050815 0.126030 -0.012023 28O 3px -0.198655 0.138998 0.100323 0.027172 -0.000867 -0.122898 28O 3py -0.103974 0.176594 -0.007641 0.052989 0.091010 -0.054048 28O 1dz2 -0.037172 -0.011103 0.105495 0.047035 -0.076571 0.065930 28O 1dxz -0.038375 -0.024356 0.014137 0.007297 0.003375 -0.010955 28O 1dyz 0.002234 -0.012296 0.071140 0.021064 -0.027233 0.010444 28O 1dx2y2 0.073852 0.021214 -0.111826 -0.031486 0.078757 -0.072409 28O 1dxy 0.041279 -0.000909 -0.069296 -0.025180 0.064570 -0.067106 28O 2dz2 -0.005985 -0.000959 -0.001008 -0.004886 0.007758 -0.011889 28O 2dxz 0.022335 -0.023887 0.124672 0.036059 -0.095558 0.110297 28O 2dyz -0.005196 -0.007269 0.000956 0.004104 0.004305 -0.004579 28O 2dx2y2 -0.009058 0.009833 -0.075796 -0.028966 0.055182 -0.059635 28O 2dxy 0.007897 -0.012759 0.017661 0.005423 -0.016871 0.024263 28O 1f0 -0.000770 0.033120 -0.188345 -0.036357 0.157308 -0.143409 28O 1f+1 -0.068516 0.061062 0.144576 0.073375 -0.133234 0.125038 28O 1f-1 -0.212115 0.294976 -0.043671 -0.010088 0.140796 -0.168843 28O 1f+2 -0.040877 -0.032311 0.202564 0.086942 -0.173388 0.141376 28O 1f-2 0.046153 -0.016850 0.132876 0.041973 -0.123438 0.124973 28O 1f+3 -0.147746 0.121849 0.228448 0.092707 -0.155014 0.114835 28O 1f-3 -0.199550 0.156477 0.124084 0.020338 -0.051806 0.021824 29O 1s -0.000065 0.000014 0.000619 0.000798 -0.003439 -0.000160 29O 2s -0.000213 0.000048 0.001854 0.002350 -0.010565 -0.000495 29O 3s 0.002265 -0.000548 -0.016566 -0.019458 0.104333 0.005156 29O 4s -0.005574 0.001218 0.046227 0.053548 -0.266194 -0.012605 29O 5s 0.007521 -0.000803 -0.137267 -0.197211 0.473905 0.016328 29O 1pz -0.001335 -0.002365 0.002336 -0.001997 0.007512 -0.006985 29O 1px -0.000603 -0.000995 0.002219 0.002240 -0.017400 -0.003549 29O 1py -0.000185 -0.000121 0.000006 0.003125 0.005505 0.000302 29O 2pz -0.005552 0.020368 -0.001019 0.010496 -0.028249 0.033442 29O 2px -0.001738 0.007862 -0.012544 -0.018573 0.066891 0.015407 29O 2py 0.001337 -0.000970 0.004297 -0.001517 -0.023048 -0.002247 29O 3pz -0.032792 0.014271 0.095135 -0.018923 0.055211 -0.010627 29O 3px -0.014985 0.007890 0.052479 -0.013358 -0.184469 -0.013669 29O 3py 0.002854 -0.006024 0.046433 0.129265 -0.064416 0.000143 29O 1dz2 -0.003532 0.003695 0.009238 0.007847 -0.002535 -0.007738 29O 1dxz 0.002869 -0.004254 -0.009981 0.004863 -0.000073 -0.000115 29O 1dyz -0.003319 -0.002124 -0.008694 0.012786 -0.002780 -0.023793 29O 1dx2y2 0.000174 -0.001571 -0.003454 0.006630 0.011312 -0.001514 29O 1dxy -0.002496 -0.000226 -0.012663 -0.025772 0.009187 -0.011746 29O 2dz2 0.002767 -0.005031 -0.007445 0.000541 0.004370 -0.004845 29O 2dxz -0.001286 0.003668 0.008828 -0.002637 0.004424 0.007432 29O 2dyz 0.005876 -0.008566 -0.000245 -0.005916 0.002766 -0.004406 29O 2dx2y2 0.000086 0.000813 0.004307 -0.000530 -0.009929 0.002597 29O 2dxy 0.002905 -0.003985 0.004716 0.012621 -0.007326 -0.001371 29O 1f0 -0.016903 0.010030 0.014747 -0.007988 0.018861 -0.002317 29O 1f+1 -0.021069 0.020230 -0.028614 0.009112 -0.018329 0.002495 29O 1f-1 0.007346 -0.007587 -0.002753 -0.013180 -0.013384 0.005366 29O 1f+2 -0.002653 -0.002140 0.047755 -0.026591 -0.019120 -0.006717 29O 1f-2 -0.003201 0.006524 -0.025490 -0.015076 -0.013907 -0.007021 29O 1f+3 -0.003778 0.004222 -0.032209 -0.009156 0.001482 0.001865 29O 1f-3 0.000084 -0.004657 0.010492 -0.025499 -0.017062 -0.000250 30O 1s -0.006334 -0.003866 -0.000627 0.001765 0.000433 -0.000654 30O 2s -0.019879 -0.012403 -0.002512 0.007243 0.002387 -0.000341 30O 3s 0.169731 0.125457 0.054051 -0.157588 -0.086343 -0.079094 30O 4s -0.310554 -0.357789 -0.214269 0.612935 0.374124 0.429816 30O 5s 0.685115 -0.255862 -0.022384 0.054495 0.502151 0.358838 30O 1pz -0.023726 -0.016800 -0.004319 0.021840 -0.005839 -0.007728 30O 1px 0.052036 0.059933 0.023759 -0.065074 -0.043037 -0.031126 30O 1py 0.017953 0.008830 0.005111 -0.012770 0.017494 0.018389 30O 2pz 0.006575 0.108769 0.066054 -0.219228 -0.139119 -0.158896 30O 2px -0.068876 -0.231476 -0.136991 0.385182 0.304543 0.307965 30O 2py 0.017139 -0.097632 -0.072024 0.208548 0.124324 0.151166 30O 3pz 0.010818 -0.109555 0.043043 0.065133 0.110222 0.000387 30O 3px 0.231539 -0.181188 0.037856 -0.123789 0.047436 0.133764 30O 3py -0.076062 0.213655 0.038141 -0.013704 -0.153473 -0.037866 30O 1dz2 0.042964 0.006952 0.013174 -0.055474 -0.041803 -0.057213 30O 1dxz 0.047670 0.021388 0.011215 -0.048474 -0.017806 -0.016186 30O 1dyz 0.015626 -0.000260 -0.019890 0.062346 0.027365 0.017053 30O 1dx2y2 -0.078884 -0.023836 -0.060403 0.153842 0.105959 0.110931 30O 1dxy -0.012727 -0.021562 -0.001711 0.008208 -0.018653 -0.033096 30O 2dz2 -0.004142 -0.001056 0.012084 -0.017781 -0.016138 -0.015776 30O 2dxz -0.013856 0.015551 0.033393 -0.089811 -0.065487 -0.081926 30O 2dyz -0.012242 0.000586 0.009971 -0.046355 -0.035576 -0.046443 30O 2dx2y2 0.001536 -0.004637 -0.012129 0.040385 0.025656 0.026078 30O 2dxy 0.019125 -0.023967 -0.032049 0.099077 0.071587 0.094573 30O 1f0 -0.196201 0.207282 -0.050287 0.126540 0.012794 -0.025555 30O 1f+1 0.148268 -0.100917 0.015185 -0.121329 -0.056685 -0.044635 30O 1f-1 -0.084104 0.082947 0.042165 -0.042131 -0.080909 -0.100014 30O 1f+2 -0.029222 0.123121 0.097920 -0.240617 -0.237975 -0.267308 30O 1f-2 0.070353 0.003487 0.017394 -0.039244 -0.003789 0.017595 30O 1f+3 0.205703 -0.186245 0.090030 -0.240447 -0.137402 -0.122796 30O 1f-3 -0.080310 0.100294 0.046793 -0.205033 -0.171064 -0.195356 31O 1s -0.006335 0.003878 0.000629 -0.001758 0.000424 -0.000647 31O 2s -0.019882 0.012440 0.002518 -0.007221 0.002357 -0.000319 31O 3s 0.169759 -0.125715 -0.054127 0.157302 -0.085924 -0.079320 31O 4s -0.310617 0.358094 0.214455 -0.611949 0.372584 0.430319 31O 5s 0.684282 0.252795 0.023762 -0.053455 0.502342 0.356432 31O 1pz 0.023754 -0.016888 -0.004291 0.021948 0.005756 0.007691 31O 1px -0.052102 0.059974 0.023716 -0.065110 0.043108 0.031099 31O 1py -0.017935 0.008874 0.005096 -0.012851 -0.017489 -0.018420 31O 2pz -0.006722 0.108733 0.066070 -0.219481 0.139215 0.158986 31O 2px 0.069097 -0.231264 -0.137001 0.385004 -0.304343 -0.307764 31O 2py -0.017045 -0.097460 -0.072063 0.208662 -0.124138 -0.150946 31O 3pz -0.010101 -0.110213 0.043329 0.066393 -0.111270 -0.000672 31O 3px -0.231426 -0.180405 0.037247 -0.124709 -0.047054 -0.133240 31O 3py 0.075408 0.214216 0.037885 -0.015327 0.155049 0.038032 31O 1dz2 0.042880 -0.007001 -0.013124 0.055351 -0.041740 -0.057260 31O 1dxz 0.047703 -0.021578 -0.011285 0.048488 -0.017809 -0.016257 31O 1dyz 0.015564 0.000215 0.019901 -0.062281 0.027346 0.017030 31O 1dx2y2 -0.078869 0.023968 0.060286 -0.153734 0.105938 0.110978 31O 1dxy -0.012799 0.021629 0.001690 -0.008171 -0.018731 -0.033195 31O 2dz2 -0.004157 0.001082 -0.012063 0.017703 -0.016077 -0.015692 31O 2dxz -0.013858 -0.015436 -0.033446 0.089784 -0.065429 -0.081932 31O 2dyz -0.012222 -0.000510 -0.010038 0.046322 -0.035503 -0.046444 31O 2dx2y2 0.001588 0.004605 0.012166 -0.040360 0.025658 0.026065 31O 2dxy 0.019080 0.023875 0.032072 -0.098980 0.071424 0.094512 31O 1f0 0.195825 0.207263 -0.050286 0.126666 -0.012954 0.025606 31O 1f+1 -0.147785 -0.100708 0.015074 -0.120998 0.056493 0.044559 31O 1f-1 0.083826 0.082669 0.042124 -0.042046 0.080848 0.099836 31O 1f+2 0.028805 0.123065 0.097854 -0.240791 0.238261 0.267474 31O 1f-2 -0.070266 0.003645 0.017334 -0.039344 0.003924 -0.017522 31O 1f+3 -0.205132 -0.186128 0.090012 -0.240356 0.137512 0.122862 31O 1f-3 0.080116 0.100411 0.046583 -0.204876 0.171139 0.195292 32O 1s -0.000080 -0.000024 -0.000629 -0.000788 -0.003442 -0.000166 32O 2s -0.000260 -0.000078 -0.001883 -0.002321 -0.010573 -0.000517 32O 3s 0.002728 0.000805 0.016724 0.019250 0.104433 0.005437 32O 4s -0.006629 -0.001830 -0.046345 -0.053109 -0.266492 -0.013198 32O 5s 0.009345 0.002583 0.138283 0.195123 0.474305 0.016350 32O 1pz 0.001307 -0.002339 0.002334 -0.002028 -0.007422 0.006954 32O 1px 0.000567 -0.001012 0.002138 0.002297 0.017431 0.003488 32O 1py 0.000330 -0.000167 0.000006 0.003156 -0.005481 -0.000043 32O 2pz 0.005619 0.020215 -0.001110 0.010288 0.027954 -0.033309 32O 2px 0.001744 0.007669 -0.012546 -0.018578 -0.066982 -0.015043 32O 2py -0.001500 -0.000390 0.004687 -0.001823 0.022988 0.001013 32O 3pz 0.032512 0.014144 0.094889 -0.019075 -0.055247 0.010553 32O 3px 0.014574 0.007895 0.052568 -0.013649 0.184731 0.013313 32O 3py -0.001360 -0.005022 0.047742 0.128286 0.064487 0.000255 32O 1dz2 -0.003670 -0.003934 -0.009250 -0.007546 -0.002488 -0.007447 32O 1dxz 0.002827 0.004130 0.009923 -0.005047 -0.000069 0.000038 32O 1dyz -0.003366 0.002080 0.008812 -0.013038 -0.002441 -0.023842 32O 1dx2y2 0.000024 0.001365 0.002970 -0.006732 0.011382 -0.001296 32O 1dxy -0.002356 0.000370 0.012275 0.025815 0.009226 -0.011527 32O 2dz2 0.002642 0.004709 0.007568 -0.000665 0.004430 -0.004350 32O 2dxz -0.001368 -0.003759 -0.008764 0.002538 0.004353 0.007571 32O 2dyz 0.005915 0.008607 0.000222 0.005846 0.002829 -0.004503 32O 2dx2y2 0.000040 -0.001001 -0.004271 0.000592 -0.009939 0.002886 32O 2dxy 0.002855 0.003793 -0.004842 -0.012558 -0.007264 -0.001057 32O 1f0 0.017822 0.010334 0.014455 -0.006241 -0.018934 0.002943 32O 1f+1 0.020150 0.019695 -0.027580 0.008615 0.018298 -0.003039 32O 1f-1 -0.006492 -0.006868 -0.000341 -0.014473 0.013146 -0.005302 32O 1f+2 0.002545 -0.002277 0.049752 -0.025294 0.019093 0.006679 32O 1f-2 0.003798 0.007066 -0.024655 -0.015368 0.014764 0.006974 32O 1f+3 0.004740 0.004416 -0.032958 -0.009485 -0.001445 -0.000885 32O 1f-3 -0.000095 -0.004348 0.009338 -0.025073 0.016749 0.000074 33O 1s 0.005995 -0.003686 0.001715 0.000490 0.000424 0.000798 33O 2s 0.018814 -0.011852 0.007100 0.002042 0.002430 0.000854 33O 3s -0.160880 0.120671 -0.156513 -0.047661 -0.090813 0.068875 33O 4s 0.295283 -0.350206 0.613386 0.189672 0.388971 -0.389698 33O 5s -0.646712 -0.246149 0.126809 0.017486 0.418345 -0.319300 33O 1pz -0.024788 0.017078 -0.020084 -0.008016 0.016252 -0.012889 33O 1px 0.051658 -0.057276 0.066903 0.022050 0.037239 -0.022070 33O 1py 0.004907 -0.011096 0.012662 0.007735 0.024328 -0.016315 33O 2pz -0.005170 -0.131649 0.267334 0.086279 0.164896 -0.187291 33O 2px -0.065160 0.234915 -0.418368 -0.132987 -0.312997 0.290661 33O 2py -0.029732 0.006288 0.004453 -0.008441 -0.018456 -0.004374 33O 3pz 0.046320 0.213524 -0.026129 -0.050151 -0.126567 0.012470 33O 3px 0.198743 0.138293 0.100087 0.027314 0.001626 0.122997 33O 3py 0.104434 0.177389 -0.006928 0.054123 -0.091327 0.054205 33O 1dz2 -0.037234 0.011041 -0.105380 -0.046986 -0.076426 0.065676 33O 1dxz -0.038234 0.024289 -0.013971 -0.007153 0.003482 -0.011029 33O 1dyz 0.002327 0.012500 -0.071050 -0.021235 -0.027403 0.010674 33O 1dx2y2 0.073731 -0.021468 0.111718 0.031504 0.078849 -0.072489 33O 1dxy 0.041345 0.001026 0.069122 0.025163 0.064572 -0.067210 33O 2dz2 -0.005951 0.000913 0.000757 0.004795 0.007589 -0.011770 33O 2dxz 0.022382 0.023710 -0.124423 -0.035969 -0.095449 0.110332 33O 2dyz -0.005195 0.007301 -0.000751 -0.004059 0.004467 -0.004752 33O 2dx2y2 -0.009091 -0.009735 0.075835 0.028976 0.055244 -0.059733 33O 2dxy 0.007996 0.012759 -0.017893 -0.005462 -0.017051 0.024456 33O 1f0 0.000159 0.032409 -0.187561 -0.036138 -0.156649 0.142591 33O 1f+1 0.069094 0.061069 0.145078 0.073663 0.133511 -0.125052 33O 1f-1 0.213199 0.295456 -0.043367 -0.009813 -0.140827 0.168955 33O 1f+2 0.040479 -0.033015 0.202267 0.086718 0.173620 -0.141646 33O 1f-2 -0.046680 -0.017377 0.132374 0.041925 0.123631 -0.125297 33O 1f+3 0.147825 0.121809 0.228668 0.092838 0.155568 -0.115194 33O 1f-3 0.200209 0.157010 0.123632 0.020384 0.051650 -0.021741 34O 1s -0.006272 -0.003294 0.000707 -0.001982 0.000528 -0.000733 34O 2s -0.019713 -0.010627 0.002882 -0.007886 0.002588 -0.000650 34O 3s 0.168775 0.108942 -0.060110 0.162522 -0.085174 -0.074784 34O 4s -0.306641 -0.321776 0.230636 -0.632702 0.366022 0.426672 34O 5s 0.662062 -0.316411 0.028437 -0.082733 0.407556 0.366293 34O 1pz -0.012126 -0.017210 0.010438 -0.022997 0.026943 0.023743 34O 1px 0.060411 0.052431 -0.024295 0.068580 -0.021860 -0.012379 34O 1py 0.002132 0.011376 -0.002420 0.016624 -0.032663 -0.028937 34O 2pz 0.033948 0.040010 -0.029124 0.071299 -0.072138 -0.065776 34O 2px -0.057042 -0.256943 0.181372 -0.493147 0.325763 0.369783 34O 2py -0.039343 0.009169 -0.023440 0.029894 0.008602 -0.016933 34O 3pz -0.132243 0.179407 0.058504 0.001079 -0.059986 -0.063734 34O 3px 0.142090 -0.039753 -0.051386 0.117353 -0.076451 0.092162 34O 3py 0.150452 -0.250734 0.036435 0.016052 0.123623 0.069405 34O 1dz2 0.041737 0.008056 0.001012 0.017827 -0.011917 -0.011805 34O 1dxz 0.052698 0.005708 -0.036511 0.114471 -0.079228 -0.084496 34O 1dyz 0.023787 -0.007884 -0.000842 -0.013415 -0.015433 -0.037459 34O 1dx2y2 -0.067960 -0.026415 0.037972 -0.083603 0.040667 0.034883 34O 1dxy -0.032644 -0.001694 0.040389 -0.125510 0.085076 0.091232 34O 2dz2 -0.013375 0.010091 -0.030678 0.062818 -0.046045 -0.062181 34O 2dxz 0.000932 -0.001246 -0.006787 0.017590 -0.009627 -0.009341 34O 2dyz 0.002930 -0.013721 0.008726 -0.016025 0.010455 0.017755 34O 2dx2y2 0.017659 -0.023926 0.041336 -0.122981 0.082804 0.108947 34O 2dxy -0.015813 0.009563 -0.016844 0.036731 -0.032140 -0.047018 34O 1f0 -0.062974 -0.019023 0.050108 -0.166649 0.143717 0.150880 34O 1f+1 0.106626 -0.082736 -0.064709 0.091933 -0.033415 -0.011160 34O 1f-1 -0.038206 0.023707 0.007714 0.057489 -0.053547 -0.065460 34O 1f+2 0.155649 -0.192508 -0.062659 0.203551 -0.105002 -0.090040 34O 1f-2 0.285555 -0.289438 0.012817 -0.014718 0.098561 0.155159 34O 1f+3 0.004797 0.066919 -0.090123 0.273334 -0.223383 -0.228476 34O 1f-3 0.059784 -0.058919 -0.082769 0.166240 -0.144882 -0.167666 35O 1s 0.006129 0.003536 0.001734 0.000712 0.000211 0.000846 35O 2s 0.019293 0.011220 0.007044 0.002820 0.001634 0.001254 35O 3s -0.166175 -0.111026 -0.153581 -0.057487 -0.080909 0.060019 35O 4s 0.305859 0.316088 0.612255 0.222625 0.383402 -0.371947 35O 5s -0.648630 0.288160 0.035872 -0.001938 0.513805 -0.315012 35O 1pz 0.009003 0.020267 0.023479 0.007317 0.041320 -0.031655 35O 1px -0.057163 -0.053517 -0.066343 -0.025410 -0.029144 0.013121 35O 1py -0.016231 -0.007902 -0.012349 -0.002116 0.015131 -0.015137 35O 2pz -0.043857 -0.026952 -0.020740 -0.004750 -0.058589 0.036239 35O 2px 0.061258 0.238306 0.461465 0.168666 0.356958 -0.314579 35O 2py -0.001716 0.073566 0.163902 0.053867 0.094596 -0.092976 35O 3pz 0.167572 -0.271521 0.025354 -0.032648 -0.172847 0.073647 35O 3px -0.166020 0.069047 -0.142491 -0.087666 -0.055103 -0.096965 35O 3py 0.041220 -0.145955 -0.066863 0.016927 -0.120106 0.007534 35O 1dz2 -0.028872 -0.017547 -0.040968 -0.025128 -0.009244 -0.002460 35O 1dxz -0.055785 -0.005155 -0.133017 -0.049787 -0.110774 0.105091 35O 1dyz 0.000864 -0.008262 -0.066498 -0.018054 -0.023149 0.003080 35O 1dx2y2 0.074320 0.023897 0.106261 0.031572 0.069205 -0.062340 35O 1dxy 0.026851 0.011721 -0.022326 -0.007375 -0.025355 0.021215 35O 2dz2 0.011992 -0.016620 -0.079257 -0.021476 -0.058033 0.063884 35O 2dxz -0.007781 0.008148 0.013495 0.007493 0.012522 -0.019630 35O 2dyz -0.002379 -0.008954 -0.009547 -0.006224 -0.005984 0.007007 35O 2dx2y2 -0.012286 0.009169 0.085894 0.033437 0.066425 -0.068098 35O 2dxy -0.014856 0.010257 0.079824 0.030024 0.061402 -0.068394 35O 1f0 0.060815 -0.050952 0.165739 0.090077 0.150209 -0.134154 35O 1f+1 0.056322 -0.078145 -0.185603 -0.043892 -0.160385 0.145934 35O 1f-1 0.055423 -0.158318 -0.029501 -0.009621 -0.073351 0.073504 35O 1f+2 -0.233564 0.240886 -0.174086 -0.041812 -0.068129 0.034025 35O 1f-2 0.142558 -0.166069 -0.152344 -0.062653 -0.216431 0.224533 35O 1f+3 -0.119425 0.062906 -0.250334 -0.079055 -0.185390 0.152981 35O 1f-3 -0.115558 0.082802 -0.105050 -0.064093 -0.023786 -0.006265 660 661 662 663 664 665 5.94171 5.98026 5.98236 5.99063 5.99160 5.99376 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s -0.000665 0.000124 -0.000088 -0.000029 0.000008 -0.000055 0Rh 2s 0.001725 -0.001035 0.000862 0.000332 -0.000019 0.000489 0Rh 3s -0.002993 0.000139 -0.000025 0.000019 0.000040 -0.000043 0Rh 4s -0.011634 0.006458 -0.005336 -0.002061 0.000146 -0.003042 0Rh 5s 0.013576 -0.017880 0.015394 0.006237 -0.000243 0.008335 0Rh 6s 0.082056 0.023421 -0.023833 -0.010930 -0.000683 -0.009514 0Rh 7s -1.715541 -0.053547 0.110486 0.085684 0.002977 -0.002132 0Rh 8s 0.524458 0.003389 -0.003475 -0.019008 -0.006657 -0.033081 0Rh 1pz -0.047217 -0.074298 0.032797 0.005540 -0.028215 -0.021706 0Rh 1px 0.153641 -0.029007 -0.011451 -0.004722 -0.008974 -0.014783 0Rh 1py 0.031844 0.027614 0.085289 0.003740 0.023769 -0.032380 0Rh 2pz 0.196897 0.309766 -0.136782 -0.023119 0.117806 0.090668 0Rh 2px -0.640664 0.120932 0.047793 0.019724 0.037511 0.061656 0Rh 2py -0.132768 -0.115154 -0.355621 -0.015593 -0.099268 0.135213 0Rh 3pz -0.645157 -1.009541 0.446746 0.075838 -0.387438 -0.299046 0Rh 3px 2.098331 -0.394030 -0.157054 -0.065173 -0.124316 -0.201261 0Rh 3py 0.434432 0.375827 1.159507 0.050746 0.327052 -0.445051 0Rh 4pz 0.868785 1.320516 -0.587900 -0.101166 0.518503 0.402992 0Rh 4px -2.820675 0.515031 0.210963 0.089241 0.169754 0.263547 0Rh 4py -0.581899 -0.493340 -1.517505 -0.065560 -0.439389 0.596426 0Rh 5pz -0.587019 -0.741703 0.339692 0.062621 -0.320038 -0.255930 0Rh 5px 1.884346 -0.288683 -0.135750 -0.063077 -0.114711 -0.145623 0Rh 5py 0.378715 0.280722 0.852563 0.033405 0.274506 -0.369195 0Rh 6pz 0.711631 0.213229 -0.113915 -0.037397 0.412294 0.388778 0Rh 6px -2.035413 0.077951 0.124204 0.079123 0.254042 0.066140 0Rh 6py -0.219422 -0.063204 -0.207501 -0.016207 -0.366127 0.482858 0Rh 1dz2 0.001867 -0.002574 0.001313 0.000012 0.000458 -0.000227 0Rh 1dxz 0.002319 0.004040 -0.002182 -0.000129 -0.000624 -0.000738 0Rh 1dyz 0.000709 0.000427 0.001158 0.000159 -0.000844 -0.001179 0Rh 1dx2y2 -0.004058 0.001825 0.001676 -0.000242 -0.000783 -0.000208 0Rh 1dxy -0.002006 -0.002048 -0.004271 0.000002 0.000521 -0.001370 0Rh 2dz2 0.000781 0.000822 -0.000535 -0.000174 -0.000326 0.000130 0Rh 2dxz 0.001081 -0.001207 0.000625 -0.000092 0.000424 0.000741 0Rh 2dyz 0.000091 -0.000221 -0.000633 -0.000088 0.000314 0.000368 0Rh 2dx2y2 -0.001344 -0.000718 -0.000340 0.000142 0.000603 -0.000311 0Rh 2dxy -0.000429 0.000530 0.001290 -0.000007 -0.000384 0.000670 0Rh 3dz2 -0.013636 0.009338 -0.004188 0.000802 -0.000814 0.000487 0Rh 3dxz -0.017469 -0.015066 0.008279 0.001127 0.001293 0.000290 0Rh 3dyz -0.004155 -0.001034 -0.002912 -0.000381 0.002953 0.004405 0Rh 3dx2y2 0.027888 -0.005940 -0.007030 0.000547 0.001180 0.002692 0Rh 3dxy 0.012568 0.008093 0.015849 0.000005 -0.000912 0.004066 0Rh 4dz2 0.035827 -0.018325 0.007318 -0.002670 0.000645 0.000018 0Rh 4dxz 0.046081 0.029823 -0.016578 -0.003053 -0.002369 0.001943 0Rh 4dyz 0.010139 0.000747 0.003824 0.000280 -0.006488 -0.009193 0Rh 4dx2y2 -0.072310 0.010584 0.014668 -0.000472 -0.000635 -0.008448 0Rh 4dxy -0.031415 -0.016811 -0.031335 0.000055 0.001372 -0.008536 0Rh 5dz2 -0.052112 0.024613 -0.002895 0.006609 0.001451 -0.006734 0Rh 5dxz -0.067864 -0.044307 0.021619 0.005538 0.009515 -0.005976 0Rh 5dyz -0.012725 0.003011 0.009931 0.002748 0.016192 0.014448 0Rh 5dx2y2 0.104669 -0.008283 -0.019763 -0.000364 -0.003138 0.022340 0Rh 5dxy 0.042430 0.026156 0.048590 0.001888 -0.005542 0.021227 0Rh 1f0 -0.014146 0.007105 0.011088 0.000943 0.013208 -0.003983 0Rh 1f+1 0.012396 -0.005907 0.003598 -0.000237 0.005740 0.005154 0Rh 1f-1 0.004935 -0.008311 0.020201 0.001610 -0.001601 -0.014122 0Rh 1f+2 0.019371 0.019152 -0.003265 -0.001588 0.008754 0.002465 0Rh 1f-2 0.008984 0.006408 0.014219 0.000522 0.001287 -0.005586 0Rh 1f+3 0.022878 -0.011964 -0.006992 -0.001077 -0.003768 0.001181 0Rh 1f-3 0.013634 0.004197 0.007580 -0.000411 -0.002801 0.008298 1Rh 1s -0.000668 0.000118 -0.000086 -0.000035 -0.000010 0.000052 1Rh 2s 0.001743 -0.000988 0.000844 0.000379 0.000005 -0.000472 1Rh 3s -0.002999 0.000132 -0.000023 0.000012 -0.000056 0.000036 1Rh 4s -0.011749 0.006166 -0.005223 -0.002353 -0.000068 0.002935 1Rh 5s 0.013888 -0.017092 0.015085 0.007033 -0.000053 -0.008077 1Rh 6s 0.081684 0.022485 -0.023448 -0.011851 0.001510 0.009400 1Rh 7s -1.714620 -0.052122 0.109811 0.086107 -0.011621 -0.000003 1Rh 8s 0.524465 0.006492 -0.003860 -0.020462 0.008386 0.033485 1Rh 1pz 0.047456 0.074254 -0.032963 -0.004934 -0.028010 -0.021383 1Rh 1px -0.153694 0.029140 0.011372 0.005444 -0.009643 -0.014997 1Rh 1py -0.031810 -0.027526 -0.085474 -0.001463 0.023838 -0.032187 1Rh 2pz -0.197893 -0.309584 0.137476 0.020588 0.116946 0.089321 1Rh 2px 0.640883 -0.121485 -0.047465 -0.022731 0.040307 0.062550 1Rh 2py 0.132630 0.114786 0.356395 0.006089 -0.099557 0.134412 1Rh 3pz 0.648403 1.008956 -0.449034 -0.067507 -0.384593 -0.294663 1Rh 3px -2.099020 0.395815 0.155982 0.074942 -0.133544 -0.204220 1Rh 3py -0.433988 -0.374630 -1.162040 -0.019498 0.327981 -0.442448 1Rh 4pz -0.873034 -1.319773 0.590979 0.089983 0.514600 0.397262 1Rh 4px 2.821485 -0.517302 -0.209552 -0.101876 0.182316 0.267627 1Rh 4py 0.581353 0.491779 1.520843 0.023773 -0.440528 0.593045 1Rh 5pz 0.589395 0.741333 -0.341598 -0.055544 -0.317296 -0.252636 1Rh 5px -1.884613 0.289788 0.134920 0.069627 -0.123260 -0.148587 1Rh 5py -0.378575 -0.279893 -0.854489 -0.007685 0.274855 -0.367344 1Rh 6pz -0.711155 -0.213885 0.117448 0.025962 0.408829 0.388285 1Rh 6px 2.036276 -0.076260 -0.122887 -0.077825 0.262009 0.070924 1Rh 6py 0.222124 0.063554 0.209551 -0.017191 -0.363048 0.482342 1Rh 1dz2 0.001860 -0.002531 0.001311 -0.000012 -0.000481 0.000241 1Rh 1dxz 0.002361 0.004067 -0.002180 -0.000140 0.000632 0.000727 1Rh 1dyz 0.000658 0.000457 0.001164 0.000115 0.000803 0.001210 1Rh 1dx2y2 -0.004091 0.001837 0.001669 -0.000238 0.000777 0.000166 1Rh 1dxy -0.002003 -0.002033 -0.004279 -0.000084 -0.000502 0.001388 1Rh 2dz2 0.000781 0.000806 -0.000525 -0.000157 0.000350 -0.000139 1Rh 2dxz 0.001073 -0.001217 0.000626 -0.000067 -0.000412 -0.000740 1Rh 2dyz 0.000103 -0.000229 -0.000626 -0.000073 -0.000281 -0.000378 1Rh 2dx2y2 -0.001336 -0.000724 -0.000333 0.000112 -0.000617 0.000316 1Rh 2dxy -0.000429 0.000524 0.001295 0.000035 0.000380 -0.000680 1Rh 3dz2 -0.013600 0.009192 -0.004227 0.000842 0.000814 -0.000514 1Rh 3dxz -0.017644 -0.015162 0.008272 0.001056 -0.001396 -0.000233 1Rh 3dyz -0.003948 -0.001152 -0.002980 -0.000223 -0.002899 -0.004512 1Rh 3dx2y2 0.028024 -0.005972 -0.007030 0.000674 -0.001079 -0.002496 1Rh 3dxy 0.012550 0.008044 0.015861 0.000261 0.000832 -0.004113 1Rh 4dz2 0.035743 -0.018025 0.007443 -0.002658 -0.000528 0.000011 1Rh 4dxz 0.046442 0.030032 -0.016556 -0.002769 0.002670 -0.002074 1Rh 4dyz 0.009686 0.001007 0.004030 -0.000029 0.006522 0.009390 1Rh 4dx2y2 -0.072608 0.010606 0.014699 -0.000946 0.000322 0.008018 1Rh 4dxy -0.031385 -0.016726 -0.031327 -0.000492 -0.001197 0.008606 1Rh 5dz2 -0.052064 0.024130 -0.003362 0.006097 -0.002001 0.006799 1Rh 5dxz -0.068345 -0.044752 0.021485 0.004805 -0.010146 0.006239 1Rh 5dyz -0.011999 0.002618 0.009031 0.003032 -0.016942 -0.014509 1Rh 5dx2y2 0.105299 -0.008017 -0.019942 0.001031 0.003762 -0.021724 1Rh 5dxy 0.042472 0.026164 0.048313 0.003331 0.005111 -0.021197 1Rh 1f0 0.014111 -0.007064 -0.011049 -0.000420 0.013298 -0.003923 1Rh 1f+1 -0.012382 0.005882 -0.003580 0.000092 0.005718 0.005135 1Rh 1f-1 -0.004831 0.008320 -0.020282 -0.000953 -0.001553 -0.014048 1Rh 1f+2 -0.019435 -0.019184 0.003295 0.001622 0.008723 0.002411 1Rh 1f-2 -0.008909 -0.006410 -0.014283 -0.000251 0.001322 -0.005581 1Rh 1f+3 -0.022839 0.011904 0.007000 0.000910 -0.003862 0.001163 1Rh 1f-3 -0.013678 -0.004195 -0.007547 -0.000078 -0.002816 0.008300 2C 1s 0.000330 -0.000855 0.001302 -0.000512 0.001040 0.000339 2C 2s -0.000131 -0.000936 0.001448 0.000038 0.000466 0.000701 2C 3s -0.000666 -0.007489 0.012769 -0.023670 0.023606 -0.047828 2C 4s 0.306611 0.019595 -0.037903 0.074318 -0.054466 0.271093 2C 5s -0.294168 0.034441 -0.080266 -0.167493 0.408252 0.610838 2C 1pz -0.000063 0.007882 -0.010052 -0.002314 0.001179 -0.009154 2C 1px 0.003127 -0.026812 0.037777 0.001206 0.003693 -0.003419 2C 1py 0.000756 -0.004532 0.004756 0.008079 -0.015486 -0.003077 2C 2pz 0.297020 -0.132259 0.182513 0.026049 0.027690 0.160155 2C 2px 0.024932 0.283423 -0.408248 -0.004268 -0.034898 0.037755 2C 2py 0.186586 0.009845 -0.013163 -0.100997 0.176878 0.085631 2C 3pz -0.139196 0.020538 -0.022257 -0.051134 0.084762 0.150165 2C 3px -0.069000 -0.051703 0.075322 -0.014552 0.017051 0.012926 2C 3py -0.076311 -0.016189 -0.001874 0.043101 0.019642 0.109304 2C 1dz2 0.002661 0.000362 0.002160 -0.019097 0.030210 -0.005208 2C 1dxz 0.003849 -0.012209 0.012823 -0.015502 0.024930 -0.011021 2C 1dyz 0.002065 0.003831 -0.007136 0.010849 -0.016311 0.009037 2C 1dx2y2 -0.006208 0.007394 -0.010509 -0.016799 0.025243 -0.003898 2C 1dxy -0.000231 -0.005973 0.007183 0.010579 -0.009462 0.001382 2C 2dz2 0.054450 -0.063710 0.096392 -0.029870 0.035016 0.025805 2C 2dxz 0.015078 0.022039 -0.031685 -0.059302 0.077848 0.019059 2C 2dyz 0.073987 0.015551 -0.022608 -0.002212 0.025515 0.030634 2C 2dx2y2 -0.035923 0.082700 -0.109979 -0.027248 -0.007394 -0.024800 2C 2dxy 0.003941 0.048214 -0.076460 0.037999 -0.052818 0.015340 2C 1f0 -0.003597 0.011642 -0.009140 -0.043101 0.046325 -0.008293 2C 1f+1 0.004015 0.002048 -0.008589 -0.018022 0.019898 -0.015193 2C 1f-1 -0.016750 -0.008131 0.010772 0.010579 -0.012493 0.004971 2C 1f+2 0.006837 -0.020501 0.028363 -0.027051 0.037788 -0.007797 2C 1f-2 -0.010614 0.010104 -0.018828 0.016446 -0.021224 0.003405 2C 1f+3 -0.000688 -0.007243 0.013177 -0.035149 0.050504 -0.012397 2C 1f-3 0.006218 0.006044 -0.009800 0.039410 -0.050111 0.009245 3C 1s 0.000198 -0.000826 -0.000571 -0.000897 0.000288 -0.001664 3C 2s -0.000254 -0.000956 -0.000679 -0.000084 0.000647 -0.000722 3C 3s -0.003400 -0.002689 -0.001942 -0.039290 -0.045104 -0.048763 3C 4s 0.314608 -0.030222 -0.019000 0.136603 0.259194 0.162286 3C 5s -0.289955 0.077258 0.139468 -0.236536 0.598882 -0.574079 3C 1pz 0.000816 0.013251 0.009253 0.007306 -0.002833 0.016873 3C 1px -0.000546 -0.035266 -0.028685 0.000168 -0.001830 0.003619 3C 1py -0.000830 -0.005713 -0.003896 0.000315 0.008342 0.000901 3C 2pz 0.157828 -0.193538 -0.142675 -0.101772 0.085504 -0.194285 3C 2px 0.119759 0.360373 0.292180 -0.003224 0.041460 -0.036578 3C 2py -0.277984 0.149401 0.106669 -0.008543 -0.146733 0.020427 3C 3pz -0.041162 0.029232 0.026326 0.038279 0.101025 -0.030634 3C 3px -0.065299 -0.058543 -0.060920 -0.002504 0.052527 -0.024733 3C 3py 0.153758 -0.018990 -0.044070 0.057423 -0.143119 0.106638 3C 1dz2 0.003005 0.005820 0.002655 0.011088 0.003417 0.024487 3C 1dxz 0.004133 -0.018989 -0.014213 0.010198 0.003871 0.018064 3C 1dyz -0.002862 -0.007161 -0.005144 -0.017678 -0.008865 -0.026356 3C 1dx2y2 -0.003963 0.001123 0.001667 0.018459 0.007962 0.029354 3C 1dxy -0.001413 0.005620 0.003972 0.006291 0.000396 0.010189 3C 2dz2 -0.007508 -0.034932 -0.029442 0.001074 -0.005988 -0.025245 3C 2dxz 0.024044 -0.054272 -0.046900 0.010799 0.028812 -0.013226 3C 2dyz -0.066057 0.022279 0.018652 -0.030712 -0.012990 -0.023725 3C 2dx2y2 -0.041463 0.118842 0.080971 0.070666 -0.032199 0.095705 3C 2dxy -0.045100 -0.087872 -0.072678 0.033053 -0.027765 0.064002 3C 1f0 0.015153 0.009396 0.002882 0.027558 0.003210 0.042107 3C 1f+1 0.005920 0.013174 0.008591 0.042117 0.006717 0.056980 3C 1f-1 -0.003113 0.010732 0.011738 -0.025669 -0.003223 -0.030841 3C 1f+2 0.012952 -0.003330 0.001174 -0.040814 -0.011356 -0.061997 3C 1f-2 0.006623 -0.025641 -0.019974 -0.026780 -0.003537 -0.035831 3C 1f+3 -0.001658 -0.009831 -0.010319 0.007260 -0.000105 0.010765 3C 1f-3 -0.001667 -0.008113 -0.007418 0.028725 0.016836 0.034236 4C 1s -0.004053 0.000415 -0.000753 0.000732 0.001072 0.007867 4C 2s -0.003559 0.000882 -0.001261 0.001063 0.001692 0.012786 4C 3s -0.171355 0.008769 -0.027304 0.015047 -0.051866 -0.145933 4C 4s 1.413089 -0.030788 0.088569 -0.112469 0.165144 0.306647 4C 5s 0.215935 0.003997 0.015791 0.058072 -0.105068 0.022923 4C 1pz -0.020526 0.063401 -0.087860 -0.010150 -0.006187 -0.033635 4C 1px 0.009149 -0.191772 0.260317 0.023646 -0.005049 -0.036862 4C 1py -0.006845 -0.034675 0.044449 0.009799 -0.017485 -0.031980 4C 2pz 0.539496 0.080033 -0.060286 -0.182219 0.283058 0.235612 4C 2px 0.021673 -0.426095 0.536403 0.009635 0.105961 -0.103911 4C 2py 0.327115 -0.101250 0.135422 0.183273 -0.182231 0.215913 4C 3pz -0.385745 -0.023623 0.009373 0.049280 0.168998 0.580536 4C 3px -0.044204 0.008226 0.006781 0.046961 0.003402 0.137880 4C 3py -0.266885 -0.007350 0.024708 -0.146433 0.193532 0.371188 4C 1dz2 0.029433 0.114610 -0.134528 -0.098044 0.124543 0.021476 4C 1dxz 0.019072 -0.199269 0.251052 -0.005799 0.046128 0.001747 4C 1dyz 0.066128 -0.007197 -0.011202 0.040194 -0.055683 0.027217 4C 1dx2y2 -0.006071 -0.031449 0.020851 -0.048998 0.050140 -0.084559 4C 1dxy 0.020482 -0.110482 0.197985 0.005442 0.014430 -0.043768 4C 2dz2 -0.267140 -0.069696 0.127260 -0.030011 0.010727 -0.082449 4C 2dxz -0.325419 0.173452 -0.279303 -0.004358 -0.020347 -0.102828 4C 2dyz -0.270222 -0.001766 0.010206 0.043450 -0.057586 -0.041933 4C 2dx2y2 0.362765 -0.025973 0.037549 -0.060493 0.091396 0.099135 4C 2dxy 0.027666 0.110919 -0.176848 -0.025822 0.038827 0.014063 4C 1f0 -0.026887 -0.017667 0.028136 0.059366 -0.061694 -0.002234 4C 1f+1 -0.056675 0.012849 -0.042261 0.147456 -0.201985 0.037598 4C 1f-1 -0.031130 0.025249 -0.045909 -0.014755 0.015763 0.005961 4C 1f+2 0.061364 0.069675 -0.092755 -0.061058 0.068501 0.012823 4C 1f-2 -0.014823 -0.017933 0.052745 -0.162685 0.219519 -0.050138 4C 1f+3 0.001660 0.106822 -0.131628 0.156714 -0.214757 0.092005 4C 1f-3 -0.053864 0.079427 -0.095391 -0.210580 0.254061 -0.078716 5C 1s -0.004009 0.000870 0.000199 0.000688 0.007316 -0.001448 5C 2s -0.003545 0.001332 0.000299 0.001025 0.011855 -0.002391 5C 3s -0.166145 0.019000 0.014722 0.019439 -0.143472 0.067942 5C 4s 1.395119 -0.092416 -0.075421 -0.121408 0.322570 -0.203921 5C 5s 0.207643 -0.040100 -0.076064 0.104059 0.005648 0.168593 5C 1pz -0.001560 0.088178 0.068636 0.008160 -0.021658 0.017249 5C 1px -0.020895 -0.261711 -0.205533 -0.009735 -0.015403 0.002629 5C 1py 0.013635 -0.054682 -0.042479 -0.000700 0.040361 -0.009562 5C 2pz 0.301813 0.106226 0.103717 0.174473 0.226822 0.217057 5C 2px 0.190138 -0.578890 -0.489041 -0.043612 0.052009 -0.066536 5C 2py -0.497928 0.025105 -0.017092 0.141236 -0.198407 0.273958 5C 3pz -0.241912 0.000524 0.036634 -0.152001 0.319706 -0.219909 5C 3px -0.168059 -0.001853 0.031279 -0.024290 0.196844 -0.092150 5C 3py 0.370856 0.002154 -0.036387 -0.045562 -0.569804 0.222470 5C 1dz2 -0.006588 0.094091 0.049889 0.079334 0.055405 0.111854 5C 1dxz 0.004486 -0.127558 -0.070165 0.019759 0.047374 0.013021 5C 1dyz -0.067248 -0.110074 -0.090265 -0.037874 -0.012592 -0.056384 5C 1dx2y2 -0.032582 -0.146862 -0.116752 0.044854 -0.045270 0.088373 5C 1dxy -0.023060 0.249440 0.225435 0.016651 -0.021229 0.014669 5C 2dz2 -0.104887 -0.066013 -0.058745 0.067653 -0.024415 0.092568 5C 2dxz -0.254710 0.174833 0.126407 0.037689 -0.079824 0.053061 5C 2dyz 0.176894 0.098282 0.074002 -0.031472 0.008391 -0.036104 5C 2dx2y2 0.451883 0.073981 0.054537 -0.005749 0.131611 -0.052908 5C 2dxy 0.231362 -0.252058 -0.187503 -0.010146 0.066300 -0.014484 5C 1f0 -0.011829 -0.098444 -0.090553 -0.088402 -0.047479 -0.112028 5C 1f+1 -0.050628 0.096774 0.097659 -0.187218 -0.085771 -0.265684 5C 1f-1 0.004242 -0.022724 -0.008939 -0.064742 -0.027672 -0.101249 5C 1f+2 0.034087 0.075012 0.054801 0.164193 0.052951 0.233836 5C 1f-2 0.057808 0.091315 0.069546 -0.012898 0.009604 -0.021174 5C 1f+3 -0.045560 0.095323 0.057047 0.031772 -0.004925 0.054805 5C 1f-3 0.049777 0.006295 0.014576 -0.168094 -0.038999 -0.235122 6C 1s -0.003989 0.000850 0.000178 0.000440 -0.007346 0.001471 6C 2s -0.003520 0.001308 0.000270 0.000618 -0.011890 0.002441 6C 3s -0.165788 0.019391 0.015361 0.025728 0.142455 -0.067244 6C 4s 1.392652 -0.092876 -0.077154 -0.137395 -0.314783 0.201866 6C 5s 0.207463 -0.041749 -0.077347 0.108138 -0.005717 -0.158096 6C 1pz 0.001529 -0.088062 -0.068558 -0.009331 -0.021268 0.017263 6C 1px 0.021059 0.260699 0.205019 0.008885 -0.016003 0.002120 6C 1py -0.013673 0.054656 0.042454 0.001979 0.040174 -0.009766 6C 2pz -0.303056 -0.104171 -0.100958 -0.179068 0.229698 0.208123 6C 2px -0.187929 0.576879 0.484970 0.045392 0.048813 -0.067385 6C 2py 0.497530 -0.027590 0.016566 -0.158468 -0.192899 0.268713 6C 3pz 0.242272 -0.000900 -0.037536 0.168008 0.318284 -0.210523 6C 3px 0.168793 0.002615 -0.031154 0.032057 0.196197 -0.089111 6C 3py -0.371337 -0.002099 0.037179 0.023543 -0.573319 0.221712 6C 1dz2 -0.006122 0.093956 0.049324 0.083259 -0.057540 -0.108468 6C 1dxz 0.004586 -0.127653 -0.070366 0.019283 -0.047426 -0.011478 6C 1dyz -0.067469 -0.109715 -0.089788 -0.040150 0.013474 0.054853 6C 1dx2y2 -0.032622 -0.146222 -0.116594 0.050181 0.044383 -0.085638 6C 1dxy -0.022801 0.248447 0.224711 0.017121 0.020372 -0.014556 6C 2dz2 -0.103991 -0.065575 -0.058964 0.072233 0.022700 -0.089415 6C 2dxz -0.254904 0.175377 0.127082 0.041648 0.077726 -0.052140 6C 2dyz 0.176744 0.098098 0.074847 -0.033196 -0.007296 0.035274 6C 2dx2y2 0.451186 0.072743 0.054448 -0.010672 -0.130216 0.053912 6C 2dxy 0.231739 -0.252871 -0.189064 -0.012573 -0.064479 0.015301 6C 1f0 0.012289 0.097764 0.089548 0.091977 -0.049424 -0.107602 6C 1f+1 0.051216 -0.096258 -0.098273 0.198188 -0.089936 -0.256667 6C 1f-1 -0.003851 0.022925 0.008683 0.068878 -0.029324 -0.098246 6C 1f+2 -0.034855 -0.074564 -0.053401 -0.173550 0.056670 0.226001 6C 1f-2 -0.057820 -0.091323 -0.069520 0.014148 0.009429 -0.020374 6C 1f+3 0.045195 -0.095235 -0.056812 -0.034271 -0.003756 0.053886 6C 1f-3 -0.049041 -0.006218 -0.015436 0.177994 -0.043093 -0.226854 7C 1s -0.004053 0.000420 -0.000799 0.001071 -0.001137 -0.007805 7C 2s -0.003555 0.000890 -0.001340 0.001623 -0.001778 -0.012684 7C 3s -0.172499 0.008945 -0.026195 0.008209 0.049955 0.146229 7C 4s 1.418131 -0.031195 0.084762 -0.098071 -0.153542 -0.309072 7C 5s 0.216043 0.003783 0.016386 0.059572 0.098109 -0.018195 7C 1pz 0.020465 -0.062887 0.087200 0.012005 -0.006407 -0.033365 7C 1px -0.008721 0.190495 -0.259511 -0.021906 -0.003967 -0.036751 7C 1py 0.007353 0.034375 -0.044398 -0.008430 -0.017140 -0.032302 7C 2pz -0.540845 -0.078488 0.059633 0.173606 0.275275 0.242947 7C 2px -0.022357 0.422425 -0.530251 -0.002559 0.107482 -0.102263 7C 2py -0.330536 0.100761 -0.133832 -0.199310 -0.179502 0.207076 7C 3pz 0.386448 0.022546 -0.005031 -0.076987 0.166043 0.579694 7C 3px 0.043637 -0.006725 -0.006757 -0.053783 0.004125 0.135320 7C 3py 0.267375 0.007173 -0.022165 0.130240 0.188571 0.381523 7C 1dz2 0.029907 0.113568 -0.133768 -0.099398 -0.122076 -0.025355 7C 1dxz 0.019086 -0.197746 0.249117 -0.006435 -0.046293 -0.003291 7C 1dyz 0.066459 -0.006776 -0.011896 0.042622 0.054649 -0.024974 7C 1dx2y2 -0.006384 -0.030844 0.020344 -0.054589 -0.049121 0.081800 7C 1dxy 0.020473 -0.110620 0.198734 0.002910 -0.014998 0.043117 7C 2dz2 -0.267213 -0.069728 0.128259 -0.035321 -0.012244 0.079148 7C 2dxz -0.325134 0.174043 -0.280314 -0.010178 0.018219 0.103637 7C 2dyz -0.270835 -0.001629 0.010375 0.041809 0.055457 0.043333 7C 2dx2y2 0.364697 -0.026219 0.037004 -0.055895 -0.086980 -0.101893 7C 2dxy 0.028097 0.110757 -0.177806 -0.025763 -0.037744 -0.013797 7C 1f0 0.027447 0.017786 -0.028703 -0.060647 -0.060442 -0.005234 7C 1f+1 0.057469 -0.013143 0.042530 -0.153510 -0.198920 0.030264 7C 1f-1 0.031185 -0.025617 0.046311 0.014936 0.015706 0.006474 7C 1f+2 -0.061670 -0.069362 0.092645 0.062066 0.067190 0.015204 7C 1f-2 0.014409 0.018720 -0.053293 0.169454 0.215703 -0.041427 7C 1f+3 -0.001453 -0.105722 0.129974 -0.165610 -0.211304 0.083310 7C 1f-3 0.053821 -0.078832 0.094495 0.219885 0.249399 -0.068510 8C 1s 0.000194 -0.000842 -0.000579 -0.000963 -0.000271 0.001595 8C 2s -0.000254 -0.000973 -0.000688 -0.000132 -0.000644 0.000713 8C 3s -0.003760 -0.002645 -0.002116 -0.039714 0.045586 0.045566 8C 4s 0.315979 -0.031228 -0.018490 0.135361 -0.259459 -0.149266 8C 5s -0.291428 0.079794 0.142268 -0.270431 -0.597925 0.553187 8C 1pz -0.000850 -0.013242 -0.009138 -0.008101 -0.002627 0.016500 8C 1px 0.000551 0.035257 0.028719 -0.000405 -0.001864 0.003447 8C 1py 0.000802 0.005681 0.003857 -0.000238 0.008375 0.000905 8C 2pz -0.157349 0.194445 0.142256 0.111754 0.081861 -0.189449 8C 2px -0.119905 -0.359272 -0.292158 0.005994 0.041158 -0.035134 8C 2py 0.278266 -0.151124 -0.107314 0.004828 -0.146003 0.022137 8C 3pz 0.041379 -0.029425 -0.026154 -0.034947 0.102113 -0.031650 8C 3px 0.066104 0.058246 0.060459 0.004463 0.052840 -0.024139 8C 3py -0.153556 0.019201 0.044608 -0.064664 -0.142942 0.102252 8C 1dz2 0.003058 0.005567 0.002333 0.012117 -0.003686 -0.023959 8C 1dxz 0.004195 -0.018863 -0.014183 0.011231 -0.004167 -0.017732 8C 1dyz -0.002963 -0.007140 -0.005068 -0.018589 0.009252 0.025440 8C 1dx2y2 -0.003903 0.001360 0.001712 0.019581 -0.008416 -0.028326 8C 1dxy -0.001364 0.005782 0.004039 0.006811 -0.000561 -0.010093 8C 2dz2 -0.007679 -0.036321 -0.030563 -0.000062 0.006005 0.025397 8C 2dxz 0.024023 -0.054131 -0.046735 0.010758 -0.029409 0.012700 8C 2dyz -0.066278 0.021984 0.018333 -0.031230 0.013329 0.021663 8C 2dx2y2 -0.041196 0.120221 0.081710 0.074738 0.029995 -0.091495 8C 2dxy -0.044844 -0.086267 -0.072058 0.036898 0.027192 -0.062536 8C 1f0 -0.015262 -0.009919 -0.003088 -0.029457 0.003880 0.040802 8C 1f+1 -0.006176 -0.012878 -0.008189 -0.043930 0.007534 0.054084 8C 1f-1 0.003197 -0.010632 -0.011808 0.027269 -0.003921 -0.029946 8C 1f+2 -0.012723 0.003437 -0.001249 0.043060 -0.012148 -0.059556 8C 1f-2 -0.006517 0.025728 0.019981 0.028008 -0.004141 -0.034157 8C 1f+3 0.001600 0.009459 0.010013 -0.007702 0.000119 0.010165 8C 1f-3 0.001492 0.008196 0.007631 -0.030058 0.017621 0.032787 9C 1s 0.000339 -0.000870 0.001316 -0.000461 -0.000960 -0.000389 9C 2s -0.000124 -0.000955 0.001473 0.000082 -0.000448 -0.000718 9C 3s -0.000577 -0.007657 0.012719 -0.024902 -0.020511 0.046048 9C 4s 0.307061 0.020589 -0.038538 0.083492 0.043976 -0.264099 9C 5s -0.295329 0.036056 -0.088645 -0.135889 -0.387463 -0.623325 9C 1pz 0.000063 -0.007857 0.009996 0.003056 0.001373 -0.009198 9C 1px -0.003152 0.026728 -0.037735 -0.000956 0.003804 -0.003268 9C 1py -0.000732 0.004580 -0.004895 -0.008085 -0.015090 -0.003489 9C 2pz -0.297161 0.132498 -0.182783 -0.036448 0.024803 0.160241 9C 2px -0.024144 -0.282390 0.407836 0.001998 -0.035834 0.035201 9C 2py -0.188145 -0.009748 0.014328 0.098026 0.171104 0.089734 9C 3pz 0.138298 -0.020681 0.023680 0.044676 0.081874 0.153117 9C 3px 0.069090 0.050813 -0.075489 0.014038 0.016802 0.014212 9C 3py 0.078580 0.016161 0.002474 -0.048597 0.019476 0.108145 9C 1dz2 0.002731 0.000331 0.002142 -0.019980 -0.029709 0.004187 9C 1dxz 0.003936 -0.012313 0.012965 -0.016397 -0.024467 0.010293 9C 1dyz 0.001950 0.003680 -0.006892 0.011172 0.015558 -0.008315 9C 1dx2y2 -0.006110 0.007307 -0.010483 -0.017990 -0.025385 0.003218 9C 1dxy -0.000308 -0.005519 0.006598 0.010673 0.009015 -0.000880 9C 2dz2 0.054362 -0.063222 0.095512 -0.027738 -0.032105 -0.027434 9C 2dxz 0.015544 0.020761 -0.029916 -0.058449 -0.074868 -0.021498 9C 2dyz 0.074106 0.014513 -0.021533 -0.001392 -0.025413 -0.030811 9C 2dx2y2 -0.036326 0.082175 -0.109452 -0.031095 0.004881 0.025127 9C 2dxy 0.003538 0.050720 -0.079421 0.039340 0.051701 -0.013654 9C 1f0 0.003389 -0.011348 0.008904 0.045197 0.046099 -0.006558 9C 1f+1 -0.003907 -0.002572 0.009190 0.019730 0.019856 -0.014422 9C 1f-1 0.016812 0.008027 -0.010804 -0.010326 -0.011216 0.004410 9C 1f+2 -0.007360 0.020504 -0.028261 0.027081 0.035930 -0.006132 9C 1f-2 0.010514 -0.009978 0.018452 -0.016139 -0.019574 0.001973 9C 1f+3 0.000607 0.007642 -0.013574 0.036255 0.048953 -0.010531 9C 1f-3 -0.006098 -0.005749 0.009310 -0.040118 -0.048387 0.007137 10H 1s -0.003472 -0.042294 0.058023 -0.019488 0.036657 -0.002916 10H 2s 0.070380 -0.165152 0.235720 -0.015452 0.062465 0.002651 10H 3s -0.032676 0.045564 -0.063567 0.024203 -0.043630 -0.013598 10H 1pz 0.008435 -0.049950 0.069467 -0.010687 0.024621 -0.009157 10H 1px -0.015006 0.039414 -0.055964 0.008450 -0.022244 -0.001101 10H 1py 0.003018 -0.025620 0.036775 0.005008 -0.000667 -0.000233 11H 1s 0.003546 0.007959 -0.014741 0.009329 -0.015239 -0.001712 11H 2s 0.027467 0.027495 -0.036322 0.079824 -0.096369 0.006527 11H 3s -0.077761 -0.024700 0.055058 -0.002219 -0.021604 -0.034859 11H 1pz -0.003676 0.007398 -0.008318 0.028090 -0.035221 0.010706 11H 1px 0.008299 0.010328 -0.012801 0.008001 -0.011122 -0.002967 11H 1py -0.018497 0.005587 -0.004901 -0.012659 0.012520 -0.003616 12H 1s -0.002362 0.016558 -0.015804 -0.045396 0.056180 -0.010689 12H 2s 0.032737 0.037308 -0.049463 -0.082291 0.101317 -0.017419 12H 3s -0.054060 -0.045462 0.052822 0.053935 -0.060599 -0.023561 12H 1pz -0.013799 0.005531 -0.011288 0.001306 -0.001746 -0.002337 12H 1px 0.003512 0.010792 -0.015321 -0.006146 0.004663 -0.005344 12H 1py 0.005407 0.012718 -0.016673 -0.045178 0.059840 -0.007431 13H 1s -0.009372 -0.052249 -0.038665 -0.038195 0.001380 -0.057341 13H 2s 0.043111 -0.211915 -0.165213 -0.060972 0.015376 -0.107427 13H 3s -0.031689 0.056285 0.050683 0.049464 -0.015830 0.071733 13H 1pz 0.003844 -0.064176 -0.048477 -0.019131 0.003778 -0.032924 13H 1px -0.008922 0.032033 0.025177 0.019771 -0.001895 0.031226 13H 1py 0.002281 0.050336 0.039002 0.019234 0.006553 0.029330 14H 1s -0.003230 0.023474 0.024761 -0.046569 -0.011866 -0.067383 14H 2s 0.041708 0.072415 0.061513 -0.065288 -0.011684 -0.104908 14H 3s -0.048972 -0.050815 -0.063490 0.053666 -0.022553 0.078151 14H 1pz 0.002205 0.017449 0.014668 -0.029034 -0.002028 -0.048170 14H 1px 0.009548 0.027409 0.023095 -0.027373 -0.008587 -0.042604 14H 1py 0.009104 -0.015526 -0.008406 -0.002915 0.003680 -0.003208 15H 1s 0.005932 0.009554 0.005103 0.000417 -0.007843 0.004345 15H 2s 0.028040 0.021869 0.015297 0.081401 -0.011625 0.101020 15H 3s -0.084189 -0.034422 -0.024540 0.002229 -0.031468 0.037483 15H 1pz -0.021294 0.000762 0.002172 -0.009271 0.002770 -0.009674 15H 1px -0.001796 0.011042 0.010599 -0.000615 -0.005400 0.000243 15H 1py 0.000727 -0.005572 -0.005420 -0.024972 -0.003774 -0.032327 16H 1s -0.074837 -0.135400 0.054214 0.007387 -0.020705 -0.003013 16H 2s -0.069621 -0.119895 0.048972 0.011254 0.003412 -0.098622 16H 3s 0.056276 0.037542 -0.021641 -0.003409 0.005577 0.007121 16H 1pz -0.067672 -0.149420 0.056714 0.009069 -0.009232 -0.025383 16H 1px -0.002331 0.002292 0.000848 0.000651 -0.003469 -0.022850 16H 1py -0.033435 -0.061250 0.021883 0.003178 -0.021292 -0.011705 17H 1s -0.088237 0.136060 -0.033473 -0.001400 -0.000046 0.038682 17H 2s -0.077328 0.115817 -0.017045 0.002918 0.071285 -0.028541 17H 3s 0.057139 -0.038491 -0.000290 -0.000847 -0.005176 -0.002880 17H 1pz 0.060689 -0.099381 0.023664 -0.000003 -0.021397 -0.005480 17H 1px 0.043148 -0.093772 0.025520 0.001282 0.011460 -0.013484 17H 1py -0.050167 0.083779 -0.020941 -0.001289 0.013848 0.026698 18H 1s -0.086944 0.135941 -0.037214 -0.000635 -0.000678 -0.040697 18H 2s -0.073184 0.115878 -0.020438 -0.001343 -0.069856 0.026305 18H 3s 0.056609 -0.039124 0.000957 -0.000731 0.005384 0.003478 18H 1pz -0.060980 0.101657 -0.027001 -0.001142 -0.021967 -0.007831 18H 1px -0.041395 0.093747 -0.028145 -0.001280 0.011750 -0.014359 18H 1py 0.047026 -0.080777 0.022574 0.001051 0.013277 0.027902 19H 1s -0.076537 -0.135113 0.057667 0.009014 0.020058 0.004702 19H 2s -0.071133 -0.119318 0.052733 0.007358 -0.003501 0.100153 19H 3s 0.056789 0.036857 -0.022587 -0.003488 -0.005369 -0.007331 19H 1pz 0.068145 0.147584 -0.060144 -0.009316 -0.008711 -0.026924 19H 1px 0.001321 -0.003483 -0.000376 0.000607 -0.002580 -0.022521 19H 1py 0.036737 0.064446 -0.024982 -0.003878 -0.021086 -0.013742 20H 1s 0.005904 0.009809 0.005199 0.001323 0.007521 -0.004967 20H 2s 0.028491 0.022168 0.015185 0.085839 0.009417 -0.096826 20H 3s -0.083930 -0.035321 -0.024955 0.004211 0.031531 -0.036719 20H 1pz 0.021312 -0.000841 -0.002318 0.009899 0.002454 -0.009375 20H 1px 0.001659 -0.011119 -0.010655 0.000532 -0.005517 0.000303 20H 1py -0.000648 0.005701 0.005394 0.026502 -0.004593 -0.031378 21H 1s -0.003344 0.023114 0.024695 -0.048997 0.012934 0.064347 21H 2s 0.041048 0.070595 0.060627 -0.069930 0.013797 0.100796 21H 3s -0.049180 -0.050646 -0.063590 0.057225 0.021634 -0.074498 21H 1pz -0.002061 -0.017013 -0.014558 0.031487 -0.002808 -0.046900 21H 1px -0.009349 -0.026834 -0.022770 0.028769 -0.009267 -0.040420 21H 1py -0.009257 0.015415 0.008318 0.003218 0.003437 -0.003261 22H 1s -0.009596 -0.052360 -0.038560 -0.039946 -0.000823 0.054612 22H 2s 0.042725 -0.212905 -0.165894 -0.064924 -0.013978 0.103726 22H 3s -0.031102 0.055986 0.050263 0.051995 0.014968 -0.068285 22H 1pz -0.003691 0.064046 0.048363 0.019855 0.003396 -0.031072 22H 1px 0.008771 -0.032400 -0.025341 -0.020987 -0.001572 0.030158 22H 1py -0.002312 -0.050800 -0.039368 -0.020323 0.006935 0.028473 23H 1s -0.001994 0.016111 -0.015570 -0.045773 -0.053426 0.008533 23H 2s 0.032522 0.035324 -0.047859 -0.085017 -0.097987 0.014801 23H 3s -0.054784 -0.045079 0.053622 0.052767 0.056695 0.026070 23H 1pz 0.014048 -0.005334 0.010921 -0.001221 -0.001592 -0.002284 23H 1px -0.003312 -0.010445 0.015097 0.005576 0.003180 -0.005070 23H 1py -0.005566 -0.011980 0.016082 0.046436 0.058025 -0.005559 24H 1s 0.003292 0.008128 -0.015120 0.010860 0.016586 0.001536 24H 2s 0.027311 0.027668 -0.036315 0.081314 0.094406 -0.003555 24H 3s -0.076899 -0.025008 0.056625 -0.004444 0.019050 0.034758 24H 1pz 0.003759 -0.007593 0.008503 -0.029592 -0.035065 0.009766 24H 1px -0.008376 -0.010313 0.012860 -0.008396 -0.011529 -0.003169 24H 1py 0.018274 -0.005794 0.005142 0.013254 0.012511 -0.003346 25H 1s -0.003301 -0.042199 0.057893 -0.018317 -0.033988 0.001033 25H 2s 0.071368 -0.165299 0.236381 -0.013517 -0.058567 -0.005440 25H 3s -0.032725 0.044968 -0.063098 0.022283 0.040474 0.015736 25H 1pz -0.008675 0.050304 -0.070016 0.010780 0.023387 -0.007939 25H 1px 0.015210 -0.039335 0.055919 -0.007419 -0.020442 -0.002184 25H 1py -0.002887 0.025123 -0.036028 -0.005718 -0.001676 -0.000294 26O 1s -0.000083 0.001374 -0.001785 -0.000177 -0.000114 0.000521 26O 2s -0.001329 0.007580 -0.010050 -0.000905 -0.000387 0.002642 26O 3s 0.056323 -0.136656 0.183975 0.013713 0.009714 -0.036268 26O 4s -0.305240 0.328921 -0.432894 -0.019446 -0.062338 0.039160 26O 5s -0.289366 0.079299 -0.105253 -0.001019 -0.059629 -0.162139 26O 1pz -0.019061 0.026860 -0.045525 -0.022410 0.025667 0.008451 26O 1px 0.020763 0.044720 -0.064206 -0.019696 0.019137 0.022249 26O 1py -0.004004 0.052527 -0.050618 0.027635 -0.034197 0.031174 26O 2pz 0.100515 -0.109895 0.164913 0.094737 -0.098045 0.001287 26O 2px 0.074888 -0.235190 0.322301 0.079704 -0.045205 -0.045058 26O 2py 0.089407 -0.211213 0.230565 -0.126300 0.176226 -0.093814 26O 3pz 0.242334 -0.066448 0.066574 -0.016350 -0.040116 0.019065 26O 3px 0.672571 -0.011002 -0.027361 -0.038577 0.042077 0.205749 26O 3py 0.389765 0.006895 0.066483 0.007120 0.064438 0.069153 26O 1dz2 0.022338 -0.021902 0.103330 -0.098855 0.127496 -0.070122 26O 1dxz -0.028840 0.021593 -0.018754 -0.108768 0.138091 0.012051 26O 1dyz 0.010693 -0.048960 0.029703 0.036948 -0.051203 -0.009487 26O 1dx2y2 0.001308 0.028848 -0.013503 -0.148098 0.176304 -0.051967 26O 1dxy -0.017213 0.067239 -0.057829 0.063793 -0.075180 0.062571 26O 2dz2 0.028995 -0.057875 0.048422 0.016044 -0.012967 -0.000278 26O 2dxz -0.027928 0.039352 -0.060061 -0.031611 0.032526 -0.012258 26O 2dyz -0.008722 0.050502 -0.055560 -0.023273 0.024640 0.007297 26O 2dx2y2 -0.028439 0.046324 -0.082274 -0.039113 0.043072 0.001101 26O 2dxy -0.045385 0.095833 -0.136270 0.041295 -0.071652 0.034236 26O 1f0 -0.006882 0.031121 -0.013561 -0.031688 0.053584 0.025170 26O 1f+1 -0.028782 0.096153 -0.116232 0.104475 -0.148050 0.057852 26O 1f-1 -0.004530 0.005225 0.017333 0.097797 -0.131984 0.015779 26O 1f+2 0.045137 0.071413 -0.064262 0.154748 -0.203136 0.056693 26O 1f-2 -0.032545 -0.088096 0.141775 0.017825 -0.026298 -0.074924 26O 1f+3 0.010563 0.011922 -0.069157 -0.230134 0.284781 -0.095692 26O 1f-3 -0.003390 0.200798 -0.268830 -0.028474 0.021919 0.085544 27O 1s 0.000268 0.002053 0.001519 0.000231 0.000072 0.000380 27O 2s -0.000047 0.010912 0.008364 0.001116 0.000699 0.001523 27O 3s 0.041363 -0.194169 -0.151271 -0.022012 -0.005772 -0.029687 27O 4s -0.284059 0.461744 0.366295 0.078361 -0.048915 0.127899 27O 5s -0.442169 0.127322 0.085418 0.050085 -0.138910 0.104171 27O 1pz -0.011177 0.018768 0.031454 0.032346 0.014009 0.037112 27O 1px 0.019548 0.073872 0.061040 0.011079 0.024040 0.003867 27O 1py 0.014059 -0.051468 -0.033668 0.017080 -0.005205 0.027295 27O 2pz 0.040640 -0.068519 -0.094302 -0.140157 -0.045421 -0.169346 27O 2px 0.111411 -0.378900 -0.303224 -0.078357 -0.027169 -0.090210 27O 2py -0.105051 0.204485 0.144418 -0.067989 -0.023520 -0.095040 27O 3pz 0.019854 -0.076070 -0.009266 0.032615 -0.031728 -0.027561 27O 3px 0.742710 -0.040207 -0.061086 -0.037954 0.199562 -0.097060 27O 3py -0.266149 0.072513 0.113522 0.020473 -0.038479 -0.040208 27O 1dz2 0.002162 -0.018759 -0.072715 0.077533 0.017358 0.114480 27O 1dxz -0.009946 0.023409 0.016228 0.132461 0.062308 0.169399 27O 1dyz -0.020112 0.042055 0.063317 -0.067734 0.004378 -0.094533 27O 1dx2y2 -0.010905 0.105299 0.051958 0.098234 0.052936 0.125081 27O 1dxy 0.021729 -0.032130 -0.013391 0.064264 -0.008478 0.083437 27O 2dz2 0.030318 -0.105906 -0.061539 -0.032260 -0.010115 -0.043336 27O 2dxz -0.001265 0.016129 0.019899 0.049475 0.012593 0.071637 27O 2dyz -0.007644 -0.028895 -0.035321 -0.006470 -0.010495 -0.010576 27O 2dx2y2 -0.042913 0.105540 0.098391 0.022107 0.005515 0.025453 27O 2dxy 0.034746 -0.106541 -0.084904 0.025710 0.018440 0.040326 27O 1f0 -0.007032 0.026082 0.038666 0.127837 0.081175 0.168512 27O 1f+1 0.009510 0.225796 0.176157 -0.060952 0.018576 -0.108525 27O 1f-1 -0.007442 -0.068300 -0.016864 0.066947 0.004138 0.096943 27O 1f+2 0.017222 0.097892 0.050076 -0.121223 -0.035118 -0.168946 27O 1f-2 0.073426 0.120296 0.118924 0.122876 0.091965 0.153288 27O 1f+3 0.002841 0.135297 0.121837 0.161573 0.044744 0.226162 27O 1f-3 -0.001770 -0.126120 -0.098076 0.038828 -0.041788 0.080130 28O 1s 0.000061 -0.000978 0.001242 0.000361 -0.000286 -0.000525 28O 2s -0.000904 -0.006139 0.007912 0.001715 -0.000961 -0.001777 28O 3s 0.055640 0.115224 -0.147159 -0.031319 0.016926 0.032560 28O 4s -0.335249 -0.245037 0.292630 0.094535 -0.073208 -0.157629 28O 5s -0.519603 -0.049108 0.005188 0.057127 -0.075248 -0.196511 28O 1pz -0.003263 -0.045754 0.075536 -0.015036 0.031392 0.006330 28O 1px -0.019964 0.031202 -0.027930 -0.019463 0.018133 -0.011760 28O 1py -0.008471 -0.033992 0.023741 0.041992 -0.045113 0.017574 28O 2pz 0.159739 0.198638 -0.283174 0.045359 -0.100159 0.070889 28O 2px -0.081415 -0.150647 0.140678 0.106486 -0.102637 -0.017356 28O 2py 0.060905 0.111668 -0.083993 -0.182051 0.206182 -0.043127 28O 3pz 0.568684 0.092429 -0.124878 -0.064224 0.040620 0.159248 28O 3px -0.557883 0.040441 -0.026395 0.024569 -0.082519 -0.195120 28O 3py 0.152069 0.014471 -0.123466 0.013385 0.055379 0.006775 28O 1dz2 -0.016474 -0.028172 0.003306 -0.166210 0.218642 -0.048285 28O 1dxz 0.021490 0.048757 -0.107870 -0.024792 0.003693 -0.026211 28O 1dyz 0.010543 0.024522 -0.036890 0.117710 -0.157197 0.028907 28O 1dx2y2 0.001694 -0.060559 0.019775 -0.032435 0.037597 -0.023534 28O 1dxy 0.018115 0.053986 -0.047684 -0.111930 0.129162 -0.057968 28O 2dz2 -0.015858 -0.027595 0.067375 -0.022440 0.038832 -0.021968 28O 2dxz 0.064419 0.101233 -0.117079 0.000276 -0.016980 0.031637 28O 2dyz -0.008040 -0.053858 0.057869 0.037135 -0.040363 0.006094 28O 2dx2y2 -0.026377 -0.030359 0.058225 0.035471 -0.036008 0.006689 28O 2dxy 0.017900 0.017899 -0.014427 -0.057501 0.075987 -0.006702 28O 1f0 -0.010218 -0.069644 0.015196 0.214561 -0.271836 0.055055 28O 1f+1 -0.012417 -0.089121 0.148854 -0.117822 0.198977 -0.010329 28O 1f-1 -0.050850 0.133554 -0.192036 -0.072796 0.062994 -0.082398 28O 1f+2 -0.003158 0.115995 -0.193368 0.020760 -0.044604 0.023647 28O 1f-2 0.026678 -0.082641 0.049995 0.190024 -0.241198 0.089215 28O 1f+3 -0.024428 0.110502 -0.149057 0.045606 -0.073077 0.023520 28O 1f-3 -0.041840 -0.006628 -0.020457 0.097671 -0.136654 0.033187 29O 1s -0.005128 -0.000159 0.000210 0.000160 0.000532 -0.000648 29O 2s -0.013286 -0.000480 0.000470 0.000403 0.001673 -0.002023 29O 3s 0.100560 0.004589 -0.001389 -0.002723 -0.018347 0.020721 29O 4s -0.335299 -0.010295 0.012382 0.011678 0.047201 -0.045747 29O 5s 1.158602 0.014642 -0.082692 -0.052162 -0.088815 0.093808 29O 1pz 0.019805 0.051458 -0.018714 -0.002356 0.001854 0.007022 29O 1px -0.052316 0.017872 -0.000199 0.000992 0.001644 0.000587 29O 1py 0.026289 -0.002369 0.007826 -0.000205 0.003545 -0.006068 29O 2pz -0.059864 -0.302274 0.103835 0.012830 -0.016488 -0.045107 29O 2px 0.164547 -0.107659 0.015323 -0.002259 -0.011424 -0.005243 29O 2py -0.125497 0.021827 -0.016760 0.002841 -0.011246 0.019928 29O 3pz 0.168637 0.008398 -0.016759 -0.005611 -0.061335 -0.065616 29O 3px -0.485577 -0.002169 0.029491 0.017717 -0.032074 0.009091 29O 3py -0.046118 0.005994 0.047771 0.009056 0.071996 -0.091897 29O 1dz2 0.145078 0.097660 -0.045894 -0.009550 0.006822 -0.015226 29O 1dxz 0.166996 -0.101636 0.025976 -0.002707 0.019043 0.004244 29O 1dyz 0.016047 0.110134 -0.050808 -0.005084 0.042962 0.022066 29O 1dx2y2 -0.165399 -0.037873 0.009840 0.006750 0.017875 -0.011784 29O 1dxy -0.097378 0.066682 0.030084 0.002678 -0.020893 0.057005 29O 2dz2 -0.033058 0.034804 -0.008294 0.000390 0.009863 0.016660 29O 2dxz -0.049428 -0.026717 0.008252 0.002923 -0.015172 -0.017775 29O 2dyz -0.004071 0.080898 -0.019181 -0.002551 -0.008863 0.011514 29O 2dx2y2 0.077341 -0.004031 0.002385 -0.002450 -0.010201 -0.001640 29O 2dxy -0.000283 0.027537 -0.027230 -0.001261 0.013974 -0.016239 29O 1f0 -0.031781 -0.013312 0.012738 0.001949 -0.013111 -0.001947 29O 1f+1 -0.009267 -0.022526 0.005709 0.000995 0.014421 0.009820 29O 1f-1 -0.085422 -0.095099 0.044523 0.006749 -0.020197 0.001757 29O 1f+2 -0.039267 0.046100 -0.020812 -0.000935 -0.024311 -0.006406 29O 1f-2 -0.084709 0.136169 -0.025504 -0.001381 0.010392 0.046418 29O 1f+3 -0.061868 -0.046670 0.008262 0.002000 0.004009 0.010465 29O 1f-3 -0.001251 -0.059021 0.030734 0.002168 -0.020470 -0.007371 30O 1s -0.000262 -0.001393 -0.001233 -0.000202 -0.000170 -0.000368 30O 2s -0.002030 -0.008365 -0.007188 -0.000745 -0.000268 -0.001343 30O 3s 0.066796 0.152026 0.130477 0.008140 0.008985 0.013483 30O 4s -0.338292 -0.307969 -0.275475 -0.007717 -0.089378 -0.004366 30O 5s -0.349909 0.004995 -0.043396 0.024733 -0.204212 0.079844 30O 1pz 0.001366 -0.048509 -0.056160 0.031474 0.023532 0.043850 30O 1px -0.022611 0.025250 0.018616 0.009445 -0.003858 0.011238 30O 1py 0.008782 0.068503 0.041812 0.025661 -0.010253 0.036296 30O 2pz 0.088910 0.197000 0.215848 -0.140951 -0.044297 -0.203585 30O 2px -0.036360 -0.127922 -0.112204 -0.036801 -0.026040 -0.040677 30O 2py -0.141106 -0.256885 -0.178048 -0.105937 -0.031949 -0.133999 30O 3pz 0.472217 0.070096 -0.014759 0.008942 0.104095 -0.073167 30O 3px -0.438822 0.079946 0.050447 0.021216 -0.181716 0.040416 30O 3py -0.526283 -0.085080 -0.091722 0.038627 -0.134335 0.006396 30O 1dz2 0.002147 -0.031621 -0.011914 0.183878 0.084810 0.236752 30O 1dxz 0.015862 0.060761 0.095086 -0.026628 -0.030940 -0.042515 30O 1dyz -0.001163 0.014039 -0.007105 -0.061278 -0.021436 -0.082266 30O 1dx2y2 0.021848 -0.015178 0.009108 0.083726 0.004759 0.124672 30O 1dxy -0.036515 -0.091429 -0.050155 -0.061408 0.018119 -0.112021 30O 2dz2 0.004163 0.025978 -0.000026 0.034381 0.008297 0.058835 30O 2dxz 0.037102 0.081173 0.061561 -0.041768 -0.009621 -0.062901 30O 2dyz 0.038246 0.109573 0.102309 -0.001072 -0.001365 -0.002612 30O 2dx2y2 0.003060 0.018404 -0.001647 -0.000794 0.006730 -0.000193 30O 2dxy -0.053190 -0.079364 -0.066727 -0.038650 -0.025755 -0.047726 30O 1f0 0.010659 -0.250927 -0.184555 -0.101647 0.020054 -0.156176 30O 1f+1 -0.020500 -0.000194 -0.031254 0.157093 0.069127 0.239599 30O 1f-1 0.025471 -0.049367 -0.110307 0.202621 0.103806 0.288902 30O 1f+2 0.010603 -0.037298 -0.005504 -0.029276 0.039463 -0.065143 30O 1f-2 -0.002656 0.216579 0.166111 -0.020703 -0.050450 -0.031584 30O 1f+3 -0.042800 0.021830 0.039864 -0.116991 -0.027735 -0.181684 30O 1f-3 0.041817 0.069563 0.062271 -0.012114 0.005314 -0.010081 31O 1s -0.000270 -0.001366 -0.001209 -0.000207 0.000181 0.000364 31O 2s -0.002058 -0.008267 -0.007099 -0.000772 0.000309 0.001339 31O 3s 0.067154 0.150722 0.129200 0.008168 -0.009400 -0.013576 31O 4s -0.339243 -0.304513 -0.271545 -0.005094 0.089388 0.004680 31O 5s -0.349415 0.006273 -0.042053 0.033761 0.201957 -0.079371 31O 1pz -0.001502 0.048250 0.056116 -0.033058 0.024220 0.042074 31O 1px 0.022508 -0.025058 -0.018429 -0.009960 -0.003529 0.011106 31O 1py -0.008831 -0.068399 -0.041568 -0.027496 -0.009550 0.035319 31O 2pz -0.088434 -0.195536 -0.215172 0.149829 -0.047731 -0.195935 31O 2px 0.036905 0.126809 0.110698 0.037682 -0.026984 -0.039948 31O 2py 0.141501 0.255820 0.176310 0.111061 -0.034365 -0.129923 31O 3pz -0.472536 -0.070052 0.014902 -0.002252 0.103444 -0.076090 31O 3px 0.438644 -0.080523 -0.051517 -0.027173 -0.179442 0.041203 31O 3py 0.526500 0.084718 0.091054 -0.042106 -0.132749 0.006992 31O 1dz2 0.003133 -0.031513 -0.012887 0.193063 -0.089138 -0.228301 31O 1dxz 0.015792 0.060283 0.094695 -0.028302 0.031569 0.041275 31O 1dyz -0.001384 0.013828 -0.006844 -0.064858 0.022887 0.079322 31O 1dx2y2 0.022203 -0.015015 0.008712 0.089448 -0.006611 -0.120520 31O 1dxy -0.036795 -0.091627 -0.049968 -0.067354 -0.016451 0.109331 31O 2dz2 0.004268 0.025974 -0.000251 0.037013 -0.009166 -0.057227 31O 2dxz 0.036980 0.080833 0.061515 -0.044602 0.010589 0.060672 31O 2dyz 0.038349 0.109102 0.101857 -0.001260 0.001283 0.002173 31O 2dx2y2 0.003078 0.018212 -0.001712 -0.000989 -0.006733 0.000126 31O 2dxy -0.053414 -0.078916 -0.066042 -0.040070 0.026625 0.046166 31O 1f0 -0.010274 0.250447 0.183758 0.109212 0.017110 -0.152086 31O 1f+1 0.019839 -0.000206 0.031909 -0.167203 0.073139 0.232548 31O 1f-1 -0.026270 0.049225 0.111430 -0.213893 0.108285 0.278811 31O 1f+2 -0.010481 0.037525 0.005437 0.033277 0.038421 -0.063785 31O 1f-2 0.002665 -0.215783 -0.165828 0.021444 -0.050537 -0.029762 31O 1f+3 0.043331 -0.021860 -0.040614 0.124940 -0.030415 -0.176207 31O 1f-3 -0.041907 -0.069590 -0.062340 0.012352 0.005148 -0.008738 32O 1s -0.005131 -0.000167 0.000207 0.000118 -0.000539 0.000632 32O 2s -0.013293 -0.000505 0.000465 0.000272 -0.001688 0.001980 32O 3s 0.100685 0.004919 -0.001373 -0.001356 0.018496 -0.020300 32O 4s -0.335495 -0.011149 0.012375 0.008644 -0.048356 0.044434 32O 5s 1.157154 0.015285 -0.082639 -0.046053 0.092534 -0.090696 32O 1pz -0.019849 -0.051508 0.020251 0.002566 0.001745 0.007821 32O 1px 0.052368 -0.017744 0.000752 -0.000827 0.001864 0.001037 32O 1py -0.026145 0.000931 -0.007505 0.000610 0.003590 -0.005939 32O 2pz 0.060789 0.302668 -0.112406 -0.013845 -0.016097 -0.049439 32O 2px -0.164026 0.106624 -0.018173 0.001308 -0.011820 -0.007127 32O 2py 0.124649 -0.013959 0.014935 -0.004163 -0.011769 0.019058 32O 3pz -0.166880 -0.008422 0.017186 0.007956 -0.062014 -0.064891 32O 3px 0.486265 0.001950 -0.028876 -0.019176 -0.030114 0.010461 32O 3py 0.045527 -0.006911 -0.047838 -0.002760 0.071251 -0.091834 32O 1dz2 0.146106 0.092021 -0.045846 -0.010976 -0.005176 0.015368 32O 1dxz 0.166663 -0.104480 0.028826 -0.002278 -0.018273 -0.002010 32O 1dyz 0.020649 0.111941 -0.055168 -0.006348 -0.043303 -0.023521 32O 1dx2y2 -0.165234 -0.040866 0.011182 0.005995 -0.017798 0.012840 32O 1dxy -0.095721 0.064136 0.029167 0.005548 0.020778 -0.057083 32O 2dz2 -0.032366 0.031476 -0.008453 0.000701 -0.010097 -0.016831 32O 2dxz -0.049629 -0.028298 0.009937 0.002864 0.014942 0.018278 32O 2dyz -0.003074 0.081986 -0.021658 -0.002520 0.008723 -0.012656 32O 2dx2y2 0.077511 -0.006166 0.003513 -0.002120 0.010518 0.002095 32O 2dxy 0.000469 0.026003 -0.027589 -0.002650 -0.013760 0.016074 32O 1f0 0.028221 0.008239 -0.010667 -0.001871 -0.011111 -0.002099 32O 1f+1 0.006332 0.026145 -0.006762 -0.001281 0.013773 0.008192 32O 1f-1 0.089675 0.092986 -0.046573 -0.008282 -0.021090 0.000592 32O 1f+2 0.034526 -0.045826 0.022303 0.001297 -0.024044 -0.007589 32O 1f-2 0.081957 -0.138087 0.030106 0.000489 0.010671 0.048251 32O 1f+3 0.064938 0.041301 -0.007570 -0.002723 0.004643 0.011664 32O 1f-3 0.002861 0.060256 -0.033041 -0.002912 -0.019956 -0.007919 33O 1s 0.000066 -0.000947 0.001215 0.000338 0.000262 0.000543 33O 2s -0.000892 -0.006022 0.007802 0.001633 0.000852 0.001842 33O 3s 0.055692 0.113643 -0.145630 -0.029677 -0.014942 -0.033507 33O 4s -0.335855 -0.241014 0.288810 0.086290 0.066392 0.160713 33O 5s -0.521773 -0.049530 0.004788 0.047109 0.069963 0.199525 33O 1pz 0.003254 0.045403 -0.075075 0.015357 0.031443 0.007407 33O 1px 0.019808 -0.030787 0.027457 0.020449 0.017587 -0.010725 33O 1py 0.008524 0.033705 -0.023409 -0.043809 -0.044034 0.015679 33O 2pz -0.160166 -0.196637 0.280926 -0.051970 -0.102031 0.067266 33O 2px 0.082601 0.148737 -0.138484 -0.107024 -0.098503 -0.022584 33O 2py -0.061665 -0.110544 0.082863 0.188237 0.201294 -0.034506 33O 3pz -0.567702 -0.092344 0.126553 0.056054 0.035567 0.159248 33O 3px 0.558541 -0.040480 0.025566 -0.015649 -0.079299 -0.194675 33O 3py -0.152333 -0.014862 0.124870 -0.012521 0.054903 0.004808 33O 1dz2 -0.015782 -0.028164 0.003046 -0.173489 -0.215324 0.040103 33O 1dxz 0.021334 0.048823 -0.108023 -0.025719 -0.002148 0.025428 33O 1dyz 0.010099 0.024915 -0.037277 0.121833 0.153921 -0.022317 33O 1dx2y2 0.001634 -0.059703 0.018783 -0.034544 -0.036949 0.021807 33O 1dxy 0.018018 0.053357 -0.046632 -0.117543 -0.126683 0.052877 33O 2dz2 -0.015722 -0.027171 0.066942 -0.024587 -0.038905 0.020484 33O 2dxz 0.064709 0.100328 -0.116210 0.002603 0.017967 -0.031032 33O 2dyz -0.008162 -0.053694 0.057754 0.038098 0.039153 -0.004536 33O 2dx2y2 -0.026647 -0.030229 0.058124 0.036380 0.034757 -0.005197 33O 2dxy 0.018330 0.017748 -0.014489 -0.059410 -0.074504 0.003768 33O 1f0 0.011081 0.069794 -0.016032 -0.222828 -0.267116 0.044508 33O 1f+1 0.011830 0.088394 -0.148178 0.123219 0.198077 -0.004303 33O 1f-1 0.051152 -0.133200 0.191556 0.077395 0.059614 -0.079490 33O 1f+2 0.002630 -0.114737 0.192244 -0.023454 -0.045080 0.021859 33O 1f-2 -0.026579 0.081876 -0.049376 -0.199200 -0.236092 0.079749 33O 1f+3 0.024349 -0.110028 0.148594 -0.048785 -0.072678 0.020532 33O 1f-3 0.042055 0.006001 0.021225 -0.102317 -0.134490 0.028326 34O 1s 0.000277 0.002036 0.001511 0.000239 -0.000083 -0.000378 34O 2s -0.000009 0.010844 0.008324 0.001137 -0.000755 -0.001513 34O 3s 0.040724 -0.193267 -0.150593 -0.022689 0.006889 0.029456 34O 4s -0.282237 0.460091 0.364534 0.083699 0.045081 -0.126483 34O 5s -0.438772 0.127968 0.083246 0.056625 0.136309 -0.104217 34O 1pz 0.011113 -0.018604 -0.031225 -0.033577 0.014749 0.035636 34O 1px -0.019709 -0.073552 -0.060755 -0.010465 0.024310 0.003605 34O 1py -0.014170 0.051538 0.033785 -0.018416 -0.004921 0.026235 34O 2pz -0.040251 0.067858 0.093264 0.146354 -0.048641 -0.162759 34O 2px -0.109880 0.377581 0.301317 0.080387 -0.029871 -0.088265 34O 2py 0.105320 -0.204675 -0.144735 0.071997 -0.024471 -0.090557 34O 3pz -0.019940 0.076279 0.009404 -0.031149 -0.031849 -0.029202 34O 3px -0.742011 0.040467 0.060398 0.046976 0.195100 -0.097806 34O 3py 0.265865 -0.072231 -0.114386 -0.019189 -0.036215 -0.040257 34O 1dz2 0.002520 -0.018448 -0.072725 0.082663 -0.019071 -0.110118 34O 1dxz -0.009304 0.022910 0.014995 0.138721 -0.065197 -0.162564 34O 1dyz -0.020473 0.042454 0.063999 -0.072069 -0.002995 0.091071 34O 1dx2y2 -0.010175 0.104824 0.051029 0.102744 -0.055452 -0.120414 34O 1dxy 0.021821 -0.032336 -0.013910 0.068024 0.007291 -0.079731 34O 2dz2 0.029926 -0.105623 -0.061176 -0.033859 0.011163 0.042041 34O 2dxz -0.001021 0.015829 0.019441 0.052372 -0.013732 -0.069361 34O 2dyz -0.007708 -0.028895 -0.035274 -0.006782 0.010699 0.010362 34O 2dx2y2 -0.042559 0.105103 0.097860 0.022799 -0.006390 -0.025029 34O 2dxy 0.034680 -0.106304 -0.084887 0.027401 -0.018718 -0.038544 34O 1f0 0.006402 -0.025357 -0.037339 -0.133723 0.084005 0.162307 34O 1f+1 -0.009489 -0.224749 -0.175882 0.066722 0.017485 -0.104985 34O 1f-1 0.007330 0.068085 0.017122 -0.071376 0.005621 0.093778 34O 1f+2 -0.016774 -0.098643 -0.051426 0.127879 -0.037494 -0.162640 34O 1f-2 -0.074068 -0.119769 -0.118038 -0.127913 0.094830 0.147711 34O 1f+3 -0.003559 -0.134382 -0.120233 -0.170700 0.048747 0.218903 34O 1f-3 0.001771 0.125913 0.098369 -0.043344 -0.041324 0.076914 35O 1s -0.000079 0.001352 -0.001763 -0.000153 0.000122 -0.000526 35O 2s -0.001316 0.007496 -0.009960 -0.000783 0.000415 -0.002648 35O 3s 0.056390 -0.135506 0.182591 0.012095 -0.009853 0.036131 35O 4s -0.306281 0.326392 -0.428829 -0.018071 0.060707 -0.038535 35O 5s -0.292913 0.078723 -0.101408 -0.008653 0.057864 0.161720 35O 1pz 0.018896 -0.026825 0.045688 0.022491 0.025333 0.009334 35O 1px -0.020917 -0.044371 0.064080 0.018932 0.018467 0.022936 35O 1py 0.003944 -0.052199 0.050399 -0.029856 -0.033443 0.029401 35O 2pz -0.100135 0.109434 -0.164875 -0.097144 -0.096835 -0.002849 35O 2px -0.075516 0.233461 -0.320147 -0.079152 -0.043783 -0.047728 35O 2py -0.090087 0.209867 -0.228986 0.133879 0.172451 -0.086087 35O 3pz -0.241332 0.066549 -0.066766 0.014409 -0.041202 0.019749 35O 3px -0.673403 0.010434 0.030156 0.028458 0.038245 0.205607 35O 3py -0.390577 -0.006844 -0.065744 -0.009173 0.063172 0.068114 35O 1dz2 0.022442 -0.022106 0.103735 -0.105275 -0.125428 0.064675 35O 1dxz -0.028372 0.021970 -0.019694 -0.110801 -0.135963 -0.017298 35O 1dyz 0.010617 -0.048742 0.029679 0.036850 0.050118 0.010868 35O 1dx2y2 0.001487 0.028774 -0.013730 -0.154448 -0.172897 0.044647 35O 1dxy -0.017326 0.066202 -0.056528 0.068226 0.073481 -0.058869 35O 2dz2 0.029161 -0.057477 0.047927 0.016505 0.012728 0.000842 35O 2dxz -0.027815 0.038820 -0.059455 -0.033171 -0.032024 0.010834 35O 2dyz -0.008664 0.050265 -0.055363 -0.023466 -0.024318 -0.008017 35O 2dx2y2 -0.028422 0.045940 -0.081793 -0.040069 -0.042354 -0.002624 35O 2dxy -0.045726 0.095398 -0.135698 0.044164 0.070460 -0.031448 35O 1f0 0.006287 -0.031174 0.014262 0.031669 0.053208 0.026671 35O 1f+1 0.029239 -0.095903 0.116154 -0.110339 -0.146003 0.052131 35O 1f-1 0.004882 -0.004855 -0.017942 -0.101447 -0.130425 0.011348 35O 1f+2 -0.044640 -0.071834 0.064490 -0.161474 -0.199302 0.048145 35O 1f-2 0.033342 0.087717 -0.142160 -0.015245 -0.026916 -0.074567 35O 1f+3 -0.010715 -0.012048 0.069663 0.240909 0.279249 -0.084638 35O 1f-3 0.002765 -0.199091 0.267544 0.025305 0.021720 0.085155 666 667 668 669 670 671 6.00769 6.01134 6.01943 6.02747 6.03032 6.04892 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s 0.000052 -0.000046 -0.000018 0.002107 -0.001467 -0.000349 0Rh 2s -0.000407 0.000318 0.000076 -0.015479 0.010795 0.002523 0Rh 3s 0.000073 -0.000093 -0.000061 0.003634 -0.002516 -0.000627 0Rh 4s 0.002550 -0.002016 -0.000477 0.097677 -0.068126 -0.015985 0Rh 5s -0.006938 0.005388 0.000858 -0.264588 0.184712 0.043522 0Rh 6s 0.008377 -0.005904 0.001362 0.307766 -0.215345 -0.050918 0Rh 7s -0.017344 -0.004362 -0.044656 -0.413846 0.276057 0.051235 0Rh 8s -0.000052 0.010150 0.009364 0.080473 -0.063875 -0.048436 0Rh 1pz -0.004202 0.034419 -0.008212 -0.030452 0.021508 0.008260 0Rh 1px -0.000355 0.012857 0.001562 0.082100 -0.061387 -0.015755 0Rh 1py 0.001242 0.000873 -0.000634 0.015668 -0.005936 -0.003914 0Rh 2pz 0.017512 -0.143588 0.034239 0.127049 -0.089711 -0.034510 0Rh 2px 0.001486 -0.053636 -0.006548 -0.342471 0.256115 0.065768 0Rh 2py -0.005186 -0.003636 0.002643 -0.065336 0.024757 0.016350 0Rh 3pz -0.056831 0.469221 -0.111478 -0.415043 0.292567 0.113654 0Rh 3px -0.004952 0.175400 0.022195 1.117472 -0.836546 -0.215479 0Rh 3py 0.017036 0.011763 -0.008515 0.212673 -0.080690 -0.053831 0Rh 4pz 0.073023 -0.616479 0.145262 0.543167 -0.381049 -0.151562 0Rh 4px 0.006623 -0.231340 -0.032591 -1.457731 1.093944 0.283544 0Rh 4py -0.022651 -0.015030 0.010548 -0.275370 0.104885 0.071847 0Rh 5pz -0.036308 0.350613 -0.081157 -0.295582 0.202731 0.089328 0Rh 5px -0.003768 0.135357 0.028952 0.778743 -0.591918 -0.157570 0Rh 5py 0.013308 0.007547 -0.004043 0.141029 -0.053831 -0.042741 0Rh 6pz 0.073517 -0.024168 0.048226 -0.040227 0.039202 -0.075656 0Rh 6px 0.052922 -0.033575 -0.047905 0.290323 -0.107257 0.043564 0Rh 6py -0.016220 -0.003703 0.001278 0.118618 -0.079728 0.032767 0Rh 1dz2 -0.001821 -0.000723 -0.002643 0.002611 0.006807 0.001567 0Rh 1dxz 0.000895 -0.000930 -0.002011 -0.001142 0.000580 -0.000766 0Rh 1dyz -0.004641 -0.002735 0.002084 0.008135 0.012716 0.006604 0Rh 1dx2y2 -0.000246 -0.000946 -0.002684 0.003647 0.001027 -0.000612 0Rh 1dxy -0.001674 -0.000838 -0.000435 0.003690 0.004379 0.002712 0Rh 2dz2 0.000578 -0.000155 -0.000951 -0.002283 -0.001838 0.000171 0Rh 2dxz -0.000451 -0.000055 -0.000158 -0.001137 0.000809 0.000854 0Rh 2dyz 0.001189 0.000572 0.000331 -0.003117 -0.004297 -0.002650 0Rh 2dx2y2 -0.000011 -0.000055 -0.000484 0.000931 -0.002293 -0.000043 0Rh 2dxy 0.000423 0.000091 -0.000032 -0.000493 -0.002249 -0.001144 0Rh 3dz2 0.006793 0.004578 0.018263 -0.002277 -0.027570 -0.009239 0Rh 3dxz -0.002445 0.005081 0.011231 0.012326 -0.007556 -0.000213 0Rh 3dyz 0.018720 0.011629 -0.012419 -0.027857 -0.046681 -0.022324 0Rh 3dx2y2 0.001368 0.005180 0.016285 -0.024913 0.006431 0.003656 0Rh 3dxy 0.006774 0.003963 0.002416 -0.017620 -0.012054 -0.008761 0Rh 4dz2 -0.014405 -0.011492 -0.044296 -0.008365 0.066281 0.024435 0Rh 4dxz 0.003421 -0.011977 -0.026001 -0.043339 0.027845 0.005128 0Rh 4dyz -0.041348 -0.026196 0.029269 0.056153 0.101516 0.046969 0Rh 4dx2y2 -0.003491 -0.012097 -0.038459 0.077518 -0.032996 -0.011353 0Rh 4dxy -0.014887 -0.009238 -0.005542 0.046893 0.018934 0.016546 0Rh 5dz2 0.021179 0.023340 0.073418 0.095223 -0.128998 -0.048560 0Rh 5dxz 0.004542 0.023245 0.040718 0.161077 -0.107548 -0.030252 0Rh 5dyz 0.068746 0.050604 -0.049136 -0.042690 -0.127442 -0.048956 0Rh 5dx2y2 0.007233 0.019927 0.059166 -0.252786 0.159990 0.038369 0Rh 5dxy 0.023504 0.018008 0.007646 -0.113740 0.021985 -0.005427 0Rh 1f0 0.000761 -0.001134 -0.001633 0.015205 -0.009586 -0.004690 0Rh 1f+1 -0.001740 0.001784 0.001355 -0.012117 0.008386 0.002017 0Rh 1f-1 0.001515 0.007889 -0.000621 -0.002963 0.001406 0.001493 0Rh 1f+2 0.001097 -0.006766 0.001281 -0.018135 0.014014 0.003309 0Rh 1f-2 -0.002193 -0.003489 -0.000450 -0.006923 0.005143 0.001091 0Rh 1f+3 -0.000008 0.004628 -0.000765 -0.022591 0.016428 0.003506 0Rh 1f-3 0.001139 0.001261 0.000082 -0.012831 0.010265 0.003023 1Rh 1s -0.000051 -0.000053 -0.000011 -0.002109 0.001466 0.000348 1Rh 2s 0.000394 0.000372 0.000027 0.015487 -0.010788 -0.002517 1Rh 3s -0.000078 -0.000104 -0.000050 -0.003639 0.002515 0.000622 1Rh 4s -0.002469 -0.002354 -0.000172 -0.097730 0.068081 0.015950 1Rh 5s 0.006670 0.006296 0.000037 0.264714 -0.184581 -0.043432 1Rh 6s -0.007778 -0.006930 0.002298 -0.307807 0.215146 0.050871 1Rh 7s 0.012566 -0.003617 -0.045907 0.412160 -0.274543 -0.051641 1Rh 8s -0.001050 0.010976 0.008939 -0.080620 0.062965 0.048472 1Rh 1pz -0.002103 -0.034809 0.008615 -0.030364 0.022068 0.006843 1Rh 1px -0.000229 -0.012579 -0.001747 0.081861 -0.061251 -0.016217 1Rh 1py 0.001994 -0.000621 0.000778 0.016047 -0.005261 -0.003977 1Rh 2pz 0.008753 0.145214 -0.035923 0.126682 -0.092048 -0.028592 1Rh 2px 0.000964 0.052479 0.007320 -0.341473 0.255545 0.067700 1Rh 2py -0.008322 0.002586 -0.003242 -0.066917 0.021940 0.016616 1Rh 3pz -0.028176 -0.474531 0.116994 -0.413852 0.300192 0.094262 1Rh 3px -0.003311 -0.171637 -0.024702 1.114176 -0.834681 -0.221811 1Rh 3py 0.027266 -0.008346 0.010489 0.217828 -0.071455 -0.054742 1Rh 4pz 0.035226 0.623413 -0.152563 0.541611 -0.390988 -0.125977 1Rh 4px 0.004747 0.226450 0.035813 -1.453248 1.091463 0.291906 1Rh 4py -0.036020 0.010596 -0.013204 -0.282077 0.092677 0.073182 1Rh 5pz -0.014361 -0.354373 0.085451 -0.294657 0.208124 0.074622 1Rh 5px -0.003551 -0.132723 -0.030505 0.775733 -0.590333 -0.162421 1Rh 5py 0.020720 -0.005207 0.005743 0.144648 -0.046773 -0.043828 1Rh 6pz 0.069114 0.031121 -0.049841 -0.041480 0.037731 -0.074510 1Rh 6px 0.057909 0.035973 0.045448 0.293370 -0.109771 0.045042 1Rh 6py -0.017738 0.002451 -0.004549 0.116969 -0.080011 0.031379 1Rh 1dz2 0.001813 -0.000540 -0.002640 -0.002592 -0.006782 -0.001557 1Rh 1dxz -0.000833 -0.000917 -0.002018 0.001104 -0.000589 0.000820 1Rh 1dyz 0.004764 -0.002548 0.002171 -0.008102 -0.012744 -0.006608 1Rh 1dx2y2 0.000239 -0.000861 -0.002671 -0.003669 -0.001048 0.000665 1Rh 1dxy 0.001739 -0.000719 -0.000402 -0.003696 -0.004367 -0.002741 1Rh 2dz2 -0.000509 -0.000211 -0.000960 0.002274 0.001836 -0.000168 1Rh 2dxz 0.000476 -0.000047 -0.000156 0.001147 -0.000805 -0.000859 1Rh 2dyz -0.001237 0.000536 0.000303 0.003114 0.004304 0.002648 1Rh 2dx2y2 0.000054 -0.000088 -0.000482 -0.000930 0.002302 0.000033 1Rh 2dxy -0.000428 0.000051 -0.000039 0.000494 0.002244 0.001156 1Rh 3dz2 -0.007082 0.003884 0.018289 0.002217 0.027455 0.009169 1Rh 3dxz 0.002009 0.004969 0.011260 -0.012177 0.007581 -0.000045 1Rh 3dyz -0.019139 0.010814 -0.012745 0.027698 0.046792 0.022357 1Rh 3dx2y2 -0.001531 0.004896 0.016200 0.025022 -0.006369 -0.003888 1Rh 3dxy -0.007090 0.003533 0.002276 0.017648 0.012018 0.008853 1Rh 4dz2 0.015326 -0.010034 -0.044393 0.008487 -0.066030 -0.024264 1Rh 4dxz -0.002324 -0.011626 -0.026098 0.043035 -0.027889 -0.004563 1Rh 4dyz 0.042221 -0.024294 0.029950 -0.055780 -0.101765 -0.047048 1Rh 4dx2y2 0.003981 -0.011595 -0.038192 -0.077769 0.032887 0.011859 1Rh 4dxy 0.015617 -0.008379 -0.005213 -0.046949 -0.018867 -0.016714 1Rh 5dz2 -0.023378 0.021191 0.073799 -0.095435 0.128610 0.048469 1Rh 5dxz -0.006672 0.022119 0.041183 -0.160662 0.107547 0.029115 1Rh 5dyz -0.070406 0.046840 -0.050074 0.041916 0.127750 0.049048 1Rh 5dx2y2 -0.008280 0.019525 0.058229 0.253104 -0.159881 -0.039141 1Rh 5dxy -0.024983 0.016951 0.006982 0.113702 -0.021986 0.005452 1Rh 1f0 0.000781 0.001272 0.001580 0.015263 -0.009537 -0.004649 1Rh 1f+1 -0.001600 -0.001928 -0.001359 -0.012136 0.008443 0.001923 1Rh 1f-1 0.002070 -0.007815 0.000736 -0.002911 0.001632 0.001166 1Rh 1f+2 0.000708 0.006744 -0.001219 -0.018109 0.013978 0.003616 1Rh 1f-2 -0.002253 0.003327 0.000443 -0.006876 0.005280 0.001072 1Rh 1f+3 0.000125 -0.004740 0.000856 -0.022640 0.016422 0.003344 1Rh 1f-3 0.001230 -0.001173 -0.000031 -0.012805 0.010318 0.002998 2C 1s -0.000095 0.000323 -0.000671 -0.000209 0.000946 0.000205 2C 2s -0.000256 0.000515 -0.000337 -0.000431 0.000820 0.000234 2C 3s 0.005570 -0.002949 -0.017210 0.005699 0.033874 0.005663 2C 4s 0.001257 0.065452 0.049031 -0.022230 -0.114035 -0.000573 2C 5s 0.032609 -0.074001 -0.187824 0.182310 0.073073 -0.035486 2C 1pz 0.001307 -0.005498 -0.003435 0.001888 -0.008080 -0.009202 2C 1px -0.000934 0.012540 -0.006868 -0.006774 0.038197 0.015919 2C 1py 0.000211 0.003590 0.014813 -0.001369 0.003973 0.010213 2C 2pz 0.016247 0.129247 -0.004536 -0.047936 0.150163 0.140266 2C 2px 0.015090 -0.143533 0.063679 0.070967 -0.372556 -0.146290 2C 2py 0.014952 0.013264 -0.135185 0.006755 0.008050 -0.093712 2C 3pz -0.002640 -0.031704 -0.040691 0.017659 -0.008345 0.033518 2C 3px -0.009695 0.033440 -0.023210 0.037796 0.007686 -0.016275 2C 3py 0.002490 0.002942 0.007560 0.024238 0.029633 -0.063651 2C 1dz2 0.000900 -0.000596 -0.025167 -0.002012 -0.015595 -0.015639 2C 1dxz -0.000370 -0.002760 -0.019438 -0.000969 0.043380 0.018871 2C 1dyz 0.000800 0.000755 0.013029 -0.000510 -0.010175 0.001735 2C 1dx2y2 -0.000997 -0.008124 -0.018848 0.000027 -0.009613 -0.006313 2C 1dxy -0.000676 0.000421 0.008957 0.000089 0.031044 0.013317 2C 2dz2 -0.000055 0.045244 -0.013906 -0.036301 0.058594 0.096135 2C 2dxz 0.001381 -0.008438 -0.036711 0.038125 0.019466 -0.043303 2C 2dyz 0.008593 0.005506 -0.022605 -0.006898 -0.023918 -0.063506 2C 2dx2y2 -0.001852 -0.047240 0.022869 0.019114 -0.136740 -0.081042 2C 2dxy 0.005012 -0.019020 0.040423 0.025278 -0.070356 0.057703 2C 1f0 0.000294 -0.007076 -0.031160 -0.013865 -0.049310 0.008460 2C 1f+1 -0.000803 -0.008464 -0.008473 0.007829 0.029899 -0.031943 2C 1f-1 -0.001687 0.008012 0.008970 -0.006136 0.008023 -0.028197 2C 1f+2 -0.001584 0.006766 -0.019381 0.006737 0.047293 -0.011626 2C 1f-2 -0.001676 -0.009997 0.016119 0.015434 0.003215 0.044118 2C 1f+3 0.000561 -0.003877 -0.039503 0.003619 0.008696 0.059920 2C 1f-3 0.003551 0.003441 0.031825 -0.003137 -0.018872 0.012398 3C 1s -0.000032 0.000394 0.001035 -0.000755 -0.000184 -0.000240 3C 2s -0.000213 0.000176 0.000355 -0.000737 0.000138 -0.000123 3C 3s 0.001748 0.012938 0.031848 -0.018860 -0.024470 -0.012280 3C 4s 0.023390 -0.084384 -0.092697 0.058587 0.097587 0.044432 3C 5s 0.055244 0.055814 0.274481 -0.041609 -0.141752 -0.055331 3C 1pz -0.000166 -0.004433 -0.016195 0.013890 0.004353 0.001710 3C 1px -0.000582 0.007739 -0.006046 -0.033364 -0.007844 -0.012580 3C 1py -0.000175 -0.000664 -0.004738 -0.004001 0.000363 -0.002312 3C 2pz 0.020733 0.039295 0.161921 -0.178442 -0.043971 -0.021398 3C 2px 0.016400 -0.102175 0.062852 0.320718 0.070815 0.127652 3C 2py -0.021331 0.006223 0.002678 0.103681 -0.008049 0.038073 3C 3pz 0.001794 -0.008817 -0.003611 -0.020074 -0.000645 0.000362 3C 3px -0.000223 0.025713 -0.006691 -0.019409 -0.051313 -0.005291 3C 3py -0.008220 -0.009551 -0.052557 -0.007860 0.003237 0.005688 3C 1dz2 -0.000350 -0.003205 -0.019037 0.015683 0.007992 0.003969 3C 1dxz -0.001384 0.000776 -0.017952 -0.030732 -0.012776 -0.013024 3C 1dyz 0.000877 0.002714 0.020384 -0.020421 -0.012392 -0.008219 3C 1dx2y2 -0.002592 -0.007642 -0.027533 -0.012047 -0.005845 -0.009651 3C 1dxy -0.000339 0.001197 -0.007358 0.028263 0.012910 0.013370 3C 2dz2 -0.002550 0.015971 0.033253 -0.050851 -0.011527 0.011971 3C 2dxz -0.001006 0.002424 0.007802 -0.073647 -0.036686 -0.055962 3C 2dyz -0.001242 -0.001461 -0.000163 -0.000201 -0.032806 -0.016126 3C 2dx2y2 -0.011292 -0.023950 -0.056100 0.100466 0.008598 0.021309 3C 2dxy -0.008732 0.028404 -0.047792 -0.054059 0.023409 -0.034442 3C 1f0 -0.001963 -0.005212 -0.031639 -0.005903 -0.001372 0.009733 3C 1f+1 -0.003440 -0.007427 -0.037229 0.032525 0.021367 -0.001505 3C 1f-1 0.003944 -0.002259 0.018650 0.009827 -0.004765 -0.007348 3C 1f+2 0.004082 0.004901 0.044452 -0.013551 -0.022496 -0.020424 3C 1f-2 0.000841 0.011562 0.020189 -0.025770 -0.007145 0.007141 3C 1f+3 -0.000885 -0.001869 -0.013653 -0.044480 -0.031883 -0.007439 3C 1f-3 -0.003219 -0.008889 -0.031271 -0.028147 -0.030031 -0.023376 4C 1s 0.001438 -0.000925 0.000857 0.001002 -0.001442 -0.001443 4C 2s 0.002564 -0.000667 0.001415 0.001684 -0.001899 -0.002140 4C 3s -0.056588 -0.050206 0.006769 -0.018508 -0.049511 -0.005913 4C 4s 0.202551 0.250876 -0.035528 0.052112 0.237425 0.072174 4C 5s 0.089929 0.096722 0.069936 -0.028108 -0.031667 0.007352 4C 1pz -0.001771 -0.036556 0.001634 0.003672 -0.104932 -0.036107 4C 1px -0.022851 0.081741 -0.010997 -0.025946 0.322579 0.125660 4C 1py -0.009918 0.011067 0.006985 -0.006577 0.060626 0.017542 4C 2pz 0.048054 0.059683 -0.180884 0.041654 -0.412926 -0.153463 4C 2px 0.058610 0.261920 -0.103846 -0.204090 1.627174 0.583363 4C 2py 0.057080 0.181007 0.154465 -0.035579 0.333839 0.186373 4C 3pz 0.021765 0.001020 -0.050322 0.162180 0.014847 -0.039864 4C 3px 0.020375 0.021016 0.026641 -0.187953 0.087126 0.011309 4C 3py 0.005364 -0.006450 -0.094437 0.026054 0.023432 0.011419 4C 1dz2 0.010350 -0.069344 -0.084528 0.018253 -0.215211 -0.015049 4C 1dxz -0.005934 0.095063 -0.033138 -0.026154 0.362570 0.015333 4C 1dyz 0.002957 0.021818 0.054097 0.006655 0.022690 -0.088529 4C 1dx2y2 -0.010736 0.009543 -0.045738 -0.011144 0.081870 -0.109802 4C 1dxy -0.005812 0.059062 -0.041642 -0.032839 0.177425 0.300119 4C 2dz2 -0.042505 0.000462 -0.009292 -0.031355 -0.146793 -0.010129 4C 2dxz -0.005090 -0.141881 0.040049 0.052465 0.101743 0.013888 4C 2dyz -0.006622 -0.021013 0.019346 0.007803 0.005975 -0.031918 4C 2dx2y2 0.043425 0.070793 -0.028895 0.002787 0.100406 0.044211 4C 2dxy 0.035004 -0.050727 -0.005712 0.040219 0.133907 0.058825 4C 1f0 -0.000303 -0.000798 0.029913 0.007231 0.024766 0.194700 4C 1f+1 -0.002719 0.010160 0.156445 -0.000155 -0.019401 -0.183943 4C 1f-1 -0.002000 -0.019789 -0.000219 0.008805 -0.015204 -0.127839 4C 1f+2 0.002854 -0.025715 -0.039243 0.001553 -0.118888 -0.148792 4C 1f-2 0.001792 -0.008495 -0.176997 -0.031138 -0.033335 0.106509 4C 1f+3 0.009917 -0.019214 0.149783 0.000917 -0.265778 0.146260 4C 1f-3 -0.010872 -0.092690 -0.188080 -0.007887 -0.162445 -0.015891 5C 1s 0.001324 0.000998 -0.000502 0.001279 0.001388 -0.000605 5C 2s 0.002405 0.000584 -0.000644 0.002257 0.002253 -0.001078 5C 3s -0.053682 0.036651 -0.022691 0.019304 0.003659 0.032204 5C 4s 0.191173 -0.202610 0.109149 -0.122521 -0.082212 -0.106426 5C 5s 0.073167 -0.099158 -0.091800 0.001120 0.106362 -0.033630 5C 1pz -0.007253 -0.016872 -0.003678 0.095386 0.033363 0.036107 5C 1px 0.001053 0.059207 -0.022923 -0.304778 -0.115563 -0.100885 5C 1py 0.010470 0.004804 -0.002495 -0.055948 -0.016913 -0.022583 5C 2pz 0.076999 -0.146924 -0.139499 0.475965 0.190614 0.142632 5C 2px -0.124748 0.120374 -0.096718 -1.563490 -0.520002 -0.527115 5C 2py -0.113700 0.100064 -0.248601 -0.192088 -0.085883 -0.084750 5C 3pz 0.047898 0.006217 0.103076 0.038840 -0.061457 -0.040682 5C 3px -0.010062 0.014587 0.045267 -0.149146 0.154106 0.025309 5C 3py -0.037003 0.010446 -0.036463 0.011383 0.040785 0.051842 5C 1dz2 -0.000329 -0.036184 -0.094856 0.072901 0.025517 0.056104 5C 1dxz 0.000381 0.035484 -0.026489 -0.067589 -0.007248 -0.101970 5C 1dyz -0.003635 0.045279 0.032358 -0.146751 -0.051426 -0.044749 5C 1dx2y2 -0.019541 0.024743 -0.076308 -0.181553 -0.064507 -0.063243 5C 1dxy 0.006700 -0.057270 0.026768 0.366740 0.140283 0.077388 5C 2dz2 -0.015855 0.039107 -0.036762 0.057273 0.050465 0.046977 5C 2dxz -0.050924 -0.008349 -0.034361 -0.005702 -0.042946 -0.021044 5C 2dyz -0.013079 -0.028131 0.015258 -0.049241 -0.048496 -0.021414 5C 2dx2y2 0.022086 -0.084049 0.043834 -0.139856 -0.085760 -0.062481 5C 2dxy 0.056199 0.045348 0.038165 0.119874 0.129592 0.058647 5C 1f0 -0.006904 0.045728 0.068857 -0.198938 -0.102700 -0.009677 5C 1f+1 0.023115 0.026442 0.237124 0.166442 0.068303 0.019238 5C 1f-1 0.003724 0.023321 0.088055 0.017314 0.016379 -0.020175 5C 1f+2 -0.010401 -0.044194 -0.170737 0.155019 0.094974 0.025115 5C 1f-2 0.015567 -0.040194 0.023654 0.059834 0.007353 0.059213 5C 1f+3 -0.001382 -0.009145 -0.032589 0.068549 0.041995 0.110657 5C 1f-3 0.022578 0.017215 0.191446 0.018571 0.014394 0.042617 6C 1s -0.001373 0.000883 -0.000499 -0.001281 -0.001387 0.000648 6C 2s -0.002416 0.000379 -0.000639 -0.002257 -0.002258 0.001138 6C 3s 0.050995 0.040208 -0.021555 -0.020526 -0.003412 -0.031995 6C 4s -0.175615 -0.214125 0.104433 0.127902 0.080734 0.103593 6C 5s -0.064502 -0.106250 -0.089055 0.001201 -0.107042 0.033550 6C 1pz -0.007626 0.016763 0.003294 0.095816 0.033122 0.036101 6C 1px 0.002099 -0.060554 0.024002 -0.305181 -0.114881 -0.100270 6C 1py 0.010195 -0.004167 0.002854 -0.056262 -0.016717 -0.022485 6C 2pz 0.067313 0.155265 0.138943 0.474684 0.189188 0.138281 6C 2px -0.126018 -0.132435 0.099191 -1.564088 -0.514119 -0.518174 6C 2py -0.110916 -0.108193 0.246153 -0.186577 -0.086042 -0.085496 6C 3pz 0.050651 -0.004177 -0.102028 0.038023 -0.061259 -0.040196 6C 3px -0.008337 -0.015104 -0.044445 -0.150326 0.152758 0.025844 6C 3py -0.038232 -0.012609 0.034107 0.012650 0.041387 0.050701 6C 1dz2 0.003355 -0.037075 -0.094727 -0.074242 -0.025190 -0.058516 6C 1dxz -0.001199 0.035450 -0.025825 0.068920 0.007152 0.108000 6C 1dyz 0.001410 0.046336 0.031891 0.147146 0.051135 0.044034 6C 1dx2y2 0.020458 0.026526 -0.076392 0.181370 0.064188 0.063646 6C 1dxy -0.006384 -0.058984 0.028446 -0.366620 -0.139503 -0.072589 6C 2dz2 0.014524 0.039472 -0.036213 -0.057975 -0.049779 -0.046071 6C 2dxz 0.049911 -0.004816 -0.032838 0.003165 0.042321 0.019212 6C 2dyz 0.013967 -0.027340 0.015487 0.048703 0.047257 0.019913 6C 2dx2y2 -0.017183 -0.085498 0.042556 0.141611 0.084078 0.058972 6C 2dxy -0.056695 0.041464 0.037226 -0.116118 -0.127656 -0.053865 6C 1f0 -0.004210 -0.047507 -0.067286 -0.198559 -0.101941 -0.004176 6C 1f+1 0.029603 -0.025824 -0.237471 0.164617 0.067943 0.015820 6C 1f-1 0.006243 -0.023442 -0.088110 0.016110 0.016248 -0.022532 6C 1f+2 -0.015250 0.045197 0.169254 0.155522 0.094014 0.021034 6C 1f-2 0.014343 0.041211 -0.023094 0.060413 0.007423 0.062824 6C 1f+3 -0.001852 0.009484 0.032893 0.070035 0.041608 0.115184 6C 1f-3 0.026475 -0.016728 -0.190460 0.017600 0.014536 0.044707 7C 1s -0.001415 -0.001024 0.000866 -0.000991 0.001454 0.001460 7C 2s -0.002540 -0.000835 0.001428 -0.001668 0.001915 0.002162 7C 3s 0.057676 -0.047550 0.006718 0.018628 0.050436 0.006264 7C 4s -0.206208 0.242127 -0.037626 -0.052686 -0.240960 -0.073545 7C 5s -0.092612 0.092805 0.067780 0.029828 0.031014 -0.004041 7C 1pz -0.004246 0.036499 -0.001167 0.003559 -0.105398 -0.036622 7C 1px -0.016472 -0.082956 0.011611 -0.025809 0.323965 0.127664 7C 1py -0.008660 -0.011460 -0.006531 -0.006643 0.060697 0.017797 7C 2pz 0.042593 -0.060644 0.173622 0.042531 -0.409821 -0.161423 7C 2px 0.075707 -0.254901 0.108376 -0.203441 1.626007 0.606466 7C 2py 0.069032 -0.178284 -0.156762 -0.035288 0.335770 0.192441 7C 3pz 0.021251 0.001900 0.043394 0.165428 0.013782 -0.037953 7C 3px 0.021910 -0.019497 -0.027054 -0.188847 0.087577 0.009099 7C 3py 0.003326 0.007246 0.090430 0.028281 0.023235 0.012157 7C 1dz2 -0.003520 -0.069223 -0.084027 -0.018402 0.214995 0.016292 7C 1dxz -0.000592 0.094736 -0.033110 0.025998 -0.362544 -0.016262 7C 1dyz -0.004816 0.021278 0.054160 -0.006447 -0.021326 0.088389 7C 1dx2y2 0.011138 0.009831 -0.046070 0.011274 -0.079829 0.110015 7C 1dxy 0.001672 0.059901 -0.042988 0.032207 -0.181926 -0.301477 7C 2dz2 0.040420 0.003043 -0.010696 0.031156 0.144686 0.015527 7C 2dxz 0.012437 -0.143400 0.037866 -0.051804 -0.095256 -0.023522 7C 2dyz 0.006083 -0.021098 0.017902 -0.007812 -0.004932 0.032360 7C 2dx2y2 -0.044359 0.069657 -0.027112 -0.002984 -0.101435 -0.046156 7C 2dxy -0.030165 -0.053362 -0.006142 -0.039990 -0.132245 -0.066802 7C 1f0 0.000920 0.000637 -0.029430 0.007322 0.026772 0.196435 7C 1f+1 0.001331 -0.009366 -0.157027 -0.000748 -0.021029 -0.185304 7C 1f-1 -0.003482 0.019881 -0.000237 0.008533 -0.017266 -0.127570 7C 1f+2 -0.000766 0.025625 0.038901 0.001456 -0.120364 -0.150374 7C 1f-2 -0.001844 0.007723 0.177045 -0.030383 -0.031079 0.103775 7C 1f+3 0.011162 0.019302 -0.149580 0.000916 -0.263147 0.144847 7C 1f-3 -0.020415 0.091135 0.188013 -0.007760 -0.162933 -0.017266 8C 1s 0.000002 0.000407 0.001009 0.000776 0.000184 0.000236 8C 2s 0.000203 0.000196 0.000352 0.000757 -0.000139 0.000118 8C 3s -0.002740 0.013410 0.030623 0.019108 0.024649 0.012247 8C 4s -0.017111 -0.088675 -0.088588 -0.057732 -0.098673 -0.044228 8C 5s -0.063959 0.054647 0.266228 0.041934 0.142820 0.053274 8C 1pz -0.000570 0.004521 0.016030 0.014075 0.004321 0.001474 8C 1px -0.000515 -0.007909 0.006100 -0.033581 -0.007872 -0.012764 8C 1py -0.000305 0.000695 0.004750 -0.003994 0.000373 -0.002420 8C 2pz 0.023348 -0.038868 -0.159335 -0.182067 -0.043737 -0.019079 8C 2px 0.014280 0.104607 -0.062974 0.321788 0.071506 0.129714 8C 2py -0.019289 -0.008137 -0.003741 0.106585 -0.008459 0.039951 8C 3pz 0.001558 0.009005 0.004607 -0.020478 -0.001146 0.001514 8C 3px 0.000494 -0.026133 0.007197 -0.018597 -0.051206 -0.003828 8C 3py -0.010244 0.009514 0.051801 -0.007733 0.003380 0.006467 8C 1dz2 0.000867 -0.003277 -0.018894 -0.015579 -0.007808 -0.003580 8C 1dxz 0.001757 0.000849 -0.018220 0.030602 0.012612 0.012965 8C 1dyz -0.001329 0.002896 0.020140 0.020620 0.012352 0.007947 8C 1dx2y2 0.003370 -0.007546 -0.027286 0.011721 0.005760 0.009654 8C 1dxy 0.000426 0.001012 -0.007318 -0.028587 -0.012855 -0.013213 8C 2dz2 0.001558 0.016767 0.032562 0.053185 0.012317 -0.013068 8C 2dxz 0.001329 0.002425 0.006419 0.073865 0.036203 0.056453 8C 2dyz 0.000934 -0.000825 -0.000275 0.000409 0.033069 0.016082 8C 2dx2y2 0.012383 -0.024048 -0.054299 -0.103531 -0.008968 -0.022373 8C 2dxy 0.008509 0.028747 -0.047554 0.052898 -0.023412 0.036651 8C 1f0 -0.002774 0.005305 0.031630 -0.004966 -0.001126 0.010833 8C 1f+1 -0.004350 0.007511 0.036243 0.032353 0.021101 -0.003003 8C 1f-1 0.004343 0.002348 -0.018910 0.009444 -0.004852 -0.007732 8C 1f+2 0.005043 -0.005002 -0.043824 -0.014087 -0.022390 -0.020634 8C 1f-2 0.001484 -0.011822 -0.019598 -0.025993 -0.007225 0.007986 8C 1f+3 -0.001231 0.001671 0.013759 -0.043941 -0.031452 -0.005756 8C 1f-3 -0.004199 0.008684 0.031272 -0.028145 -0.029979 -0.023187 9C 1s 0.000078 0.000344 -0.000616 0.000210 -0.000966 -0.000212 9C 2s 0.000223 0.000541 -0.000298 0.000438 -0.000843 -0.000235 9C 3s -0.005438 -0.002972 -0.017022 -0.005878 -0.034263 -0.006311 9C 4s -0.002643 0.064914 0.050324 0.022477 0.114736 0.003203 9C 5s -0.026287 -0.077411 -0.176187 -0.188222 -0.070789 0.029715 9C 1pz 0.000874 0.005616 0.003815 0.001837 -0.008175 -0.009326 9C 1px -0.000075 -0.012624 0.006967 -0.006695 0.038629 0.015708 9C 1py 0.000717 -0.003586 -0.014463 -0.001426 0.004188 0.010352 9C 2pz 0.023185 -0.129882 -0.000750 -0.047152 0.153653 0.141486 9C 2px 0.004750 0.144764 -0.064743 0.069854 -0.377182 -0.143016 9C 2py 0.012034 -0.013317 0.130026 0.006837 0.008108 -0.094681 9C 3pz -0.004919 0.031925 0.038977 0.018562 -0.008341 0.034336 9C 3px -0.007131 -0.033624 0.023258 0.038556 0.006793 -0.013377 9C 3py 0.002728 -0.002164 -0.008742 0.024705 0.028732 -0.063739 9C 1dz2 -0.000393 -0.000606 -0.025009 0.001929 0.015601 0.016095 9C 1dxz 0.000839 -0.002509 -0.019354 0.000972 -0.043767 -0.019340 9C 1dyz -0.001041 0.000706 0.012724 0.000566 0.009984 -0.001715 9C 1dx2y2 0.001949 -0.008072 -0.019219 -0.000034 0.009719 0.006601 9C 1dxy 0.000452 0.000210 0.008889 -0.000066 -0.030558 -0.013522 9C 2dz2 -0.002453 0.045514 -0.011872 0.035962 -0.059710 -0.095983 9C 2dxz 0.000426 -0.007571 -0.034872 -0.037949 -0.021285 0.039609 9C 2dyz -0.007924 0.005678 -0.021608 0.007166 0.023136 0.063941 9C 2dx2y2 0.004928 -0.047699 0.020245 -0.018687 0.137665 0.081935 9C 2dxy -0.004220 -0.020530 0.040366 -0.025898 0.075532 -0.057492 9C 1f0 -0.000931 0.006989 0.031737 -0.013715 -0.048643 0.007857 9C 1f+1 -0.001676 0.008683 0.008663 0.007591 0.028596 -0.032494 9C 1f-1 -0.000958 -0.007936 -0.008580 -0.006290 0.007542 -0.028270 9C 1f+2 -0.001362 -0.007105 0.018493 0.006766 0.047336 -0.011175 9C 1f-2 -0.002092 0.009891 -0.015449 0.015438 0.004236 0.044178 9C 1f+3 -0.000383 0.003486 0.039090 0.003962 0.010153 0.060419 9C 1f-3 0.004435 -0.003222 -0.030957 -0.003281 -0.018367 0.012740 10H 1s -0.003915 0.015975 -0.026706 0.005733 0.069878 0.020960 10H 2s 0.005695 0.098536 -0.054725 -0.038147 0.284098 0.132708 10H 3s -0.007346 -0.036977 0.032972 -0.012112 -0.066043 -0.002896 10H 1pz -0.000143 0.022023 -0.022306 -0.013037 0.084838 0.050506 10H 1px -0.000589 -0.022659 0.016643 0.003347 -0.070442 -0.019037 10H 1py -0.000048 0.013087 -0.001844 -0.006169 0.046538 0.018656 11H 1s 0.002495 -0.001750 0.013403 0.001411 -0.009561 -0.010423 11H 2s 0.006925 -0.003228 0.067144 -0.014911 -0.071100 0.063618 11H 3s -0.014130 0.017115 -0.000797 -0.017731 0.000129 0.022006 11H 1pz 0.001808 0.001528 0.028069 -0.001490 -0.022937 0.033320 11H 1px 0.002179 -0.003515 0.009828 -0.000624 -0.016951 -0.004061 11H 1py -0.001762 -0.005461 -0.008374 0.002355 -0.013939 0.010983 12H 1s 0.001817 -0.012719 -0.041140 -0.000627 -0.026120 -0.002108 12H 2s 0.003301 -0.023117 -0.061378 0.006029 -0.055543 -0.147170 12H 3s -0.009524 0.031798 0.033558 -0.024966 0.027834 -0.015904 12H 1pz -0.001020 -0.004396 0.002349 0.004029 0.001574 -0.050247 12H 1px 0.001556 -0.005868 -0.003304 0.001931 -0.019403 -0.017455 12H 1py 0.001356 -0.010838 -0.040809 0.003014 -0.019961 -0.048237 13H 1s 0.002834 0.013858 0.035311 -0.059092 -0.036617 -0.022352 13H 2s -0.000246 0.052736 0.055942 -0.243898 -0.075882 -0.099388 13H 3s -0.001739 -0.029156 -0.038249 0.059743 0.042731 0.022737 13H 1pz -0.000438 0.017062 0.017428 -0.075745 -0.026837 -0.027173 13H 1px -0.000682 -0.008056 -0.018070 0.040863 0.019538 0.013909 13H 1py -0.000164 -0.016553 -0.018858 0.057322 0.015356 0.026787 14H 1s 0.004046 0.004100 0.055781 0.029064 0.010061 0.011423 14H 2s 0.010885 -0.009050 0.087798 0.073312 0.017311 0.074856 14H 3s -0.014248 0.007527 -0.058923 -0.040111 0.005379 -0.006728 14H 1pz 0.003390 0.000616 0.038503 0.014324 0.000643 0.016211 14H 1px 0.003547 -0.000408 0.036986 0.032052 0.008009 0.021262 14H 1py 0.001330 0.001632 0.001357 -0.001455 0.004987 -0.014848 15H 1s 0.000050 -0.000939 -0.003917 0.004746 0.000305 0.002496 15H 2s -0.011134 -0.008108 -0.074057 0.043836 0.037234 -0.007905 15H 3s -0.009307 0.004990 -0.018078 0.000078 0.014685 0.008142 15H 1pz 0.000455 -0.000449 0.005709 0.006253 0.000710 -0.001537 15H 1px 0.000165 -0.001073 -0.000394 0.013999 0.004022 0.005403 15H 1py 0.003401 0.003786 0.029594 -0.015892 -0.010650 0.006035 16H 1s -0.412743 -0.402020 0.066741 0.000661 0.002352 0.006643 16H 2s -0.356090 -0.357005 0.054889 -0.048221 0.007576 0.006679 16H 3s 0.089480 0.082067 -0.012235 -0.006331 -0.012873 -0.006856 16H 1pz -0.465522 -0.457620 0.077713 -0.014678 0.000489 0.005358 16H 1px 0.017437 0.019159 -0.005285 0.000614 0.004010 0.002341 16H 1py -0.187106 -0.185503 0.027040 -0.002611 -0.004911 -0.000002 17H 1s 0.410913 0.404577 -0.057576 -0.023228 0.017380 0.001484 17H 2s 0.344115 0.341604 -0.059465 -0.049288 0.056775 0.012541 17H 3s -0.089251 -0.080696 0.017289 0.008423 0.002084 0.007285 17H 1pz -0.303344 -0.298974 0.042825 0.024734 -0.020423 -0.002118 17H 1px -0.295677 -0.293974 0.044936 0.022351 -0.023340 -0.007309 17H 1py 0.254248 0.252468 -0.039492 -0.013127 0.016711 0.000595 18H 1s -0.432063 0.382079 -0.065786 0.020681 -0.017573 -0.001321 18H 2s -0.359688 0.320813 -0.067359 0.047277 -0.055708 -0.011607 18H 3s 0.093960 -0.075990 0.019684 -0.007490 -0.001725 -0.007600 18H 1pz -0.325870 0.288554 -0.050354 0.023076 -0.020693 -0.001948 18H 1px -0.310689 0.277628 -0.051371 0.020670 -0.023332 -0.006943 18H 1py 0.257414 -0.229587 0.043244 -0.010988 0.015974 -0.000014 19H 1s 0.431876 -0.378572 0.074644 0.001340 -0.002733 -0.006893 19H 2s 0.374455 -0.337324 0.062672 0.050269 -0.006832 -0.008127 19H 3s -0.093110 0.076906 -0.014522 0.005973 0.012702 0.007484 19H 1pz -0.483126 0.427202 -0.086240 -0.017081 0.000622 0.005991 19H 1px 0.022172 -0.021618 0.006468 0.000893 0.004217 0.002305 19H 1py -0.206908 0.184430 -0.032715 -0.003934 -0.004787 0.000466 20H 1s 0.000138 -0.001086 -0.004458 -0.005080 -0.000383 -0.002664 20H 2s 0.012483 -0.008201 -0.073083 -0.045450 -0.037746 0.009988 20H 3s 0.009396 0.005788 -0.017088 0.000223 -0.014693 -0.007345 20H 1pz 0.000632 0.000432 -0.005988 0.006335 0.000699 -0.001840 20H 1px 0.000216 0.001097 0.000298 0.014271 0.004141 0.005259 20H 1py 0.004016 -0.003834 -0.029462 -0.016516 -0.010787 0.007017 21H 1s -0.005317 0.004047 0.055173 -0.028421 -0.009843 -0.011111 21H 2s -0.011934 -0.009109 0.086712 -0.071366 -0.016970 -0.076973 21H 3s 0.015213 0.008145 -0.057919 0.039570 -0.005345 0.005796 21H 1pz 0.004125 -0.000716 -0.038472 0.013774 0.000517 0.017021 21H 1px 0.004158 0.000494 -0.036261 0.031365 0.007836 0.021483 21H 1py 0.001381 -0.001519 -0.001538 -0.001609 0.004977 -0.016023 22H 1s -0.003744 0.014116 0.034059 0.059563 0.036496 0.021918 22H 2s -0.001592 0.054177 0.053519 0.247244 0.076080 0.099572 22H 3s 0.003179 -0.029692 -0.036830 -0.059811 -0.042809 -0.021886 22H 1pz 0.000187 -0.017408 -0.016192 -0.076213 -0.026686 -0.026938 22H 1px -0.001112 0.008352 0.017598 0.041405 0.019553 0.013626 22H 1py -0.000964 0.017011 0.018425 0.058579 0.015601 0.027337 23H 1s -0.000216 -0.012422 -0.040058 0.000377 0.025502 0.002190 23H 2s -0.000173 -0.022555 -0.060254 -0.005020 0.053874 0.147248 23H 3s 0.006905 0.031870 0.032192 0.025501 -0.027163 0.016532 23H 1pz -0.001296 0.004350 -0.002284 0.003813 0.001201 -0.049753 23H 1px 0.001086 0.005759 0.002508 0.001825 -0.019110 -0.017048 23H 1py -0.000217 0.010541 0.040266 0.002822 -0.019256 -0.048534 24H 1s -0.002644 -0.001815 0.014351 -0.001435 0.010129 0.010687 24H 2s -0.007988 -0.003940 0.066296 0.015036 0.073098 -0.064571 24H 3s 0.012467 0.018281 -0.001975 0.018001 -0.001228 -0.022002 24H 1pz 0.002483 -0.001300 -0.028143 -0.001369 -0.023520 0.033900 24H 1px 0.002147 0.003632 -0.010033 -0.000730 -0.017511 -0.003891 24H 1py -0.002189 0.005493 0.008587 0.002373 -0.014276 0.011574 25H 1s 0.003062 0.016565 -0.024974 -0.006063 -0.070286 -0.022184 25H 2s -0.011944 0.099620 -0.052347 0.037606 -0.288438 -0.133198 25H 3s 0.009791 -0.036729 0.031818 0.013091 0.066143 0.004689 25H 1pz 0.001243 -0.022609 0.021740 -0.012892 0.086720 0.050394 25H 1px -0.001999 0.022943 -0.015487 0.003140 -0.070893 -0.020011 25H 1py 0.000949 -0.012939 0.001068 -0.006082 0.046462 0.018071 26O 1s -0.000572 -0.000900 -0.000006 0.001706 -0.006332 -0.002234 26O 2s -0.001760 -0.004791 0.000375 0.005521 -0.026324 -0.009552 26O 3s 0.022636 0.090478 -0.012474 -0.058443 0.401220 0.149530 26O 4s -0.078710 -0.244119 0.045008 0.071470 -1.074667 -0.399983 26O 5s -0.122477 -0.183986 0.032096 0.201257 -0.678089 -0.229997 26O 1pz 0.005894 -0.014834 -0.014959 -0.011998 -0.032198 -0.044892 26O 1px 0.006920 -0.018630 -0.008207 0.020289 -0.130853 -0.068144 26O 1py 0.009353 -0.015204 0.035573 0.002969 -0.095162 0.010244 26O 2pz -0.014842 0.062523 0.060280 0.029662 0.208955 0.203220 26O 2px 0.012188 0.152261 0.015023 -0.060396 0.768145 0.362961 26O 2py -0.016815 0.083548 -0.149382 -0.014263 0.514621 0.020843 26O 3pz 0.022204 0.068946 0.016002 -0.098897 0.017322 -0.029599 26O 3px 0.083265 0.111571 0.006299 -0.077010 0.280602 0.063153 26O 3py 0.058031 0.068323 0.003658 -0.087505 0.111156 0.047092 26O 1dz2 -0.002713 0.014387 -0.067392 0.021352 0.009252 0.059524 26O 1dxz -0.004923 -0.026591 -0.064910 -0.056759 0.078632 -0.115537 26O 1dyz 0.001952 0.036961 0.012228 0.054435 -0.042111 -0.106431 26O 1dx2y2 -0.005520 -0.034377 -0.087083 0.033709 -0.047831 -0.182300 26O 1dxy 0.006109 -0.024768 0.048357 -0.000047 -0.172421 0.167075 26O 2dz2 0.000782 0.032984 -0.008544 -0.025748 0.155594 0.039998 26O 2dxz -0.001354 -0.024653 -0.028565 0.027170 -0.128907 -0.070560 26O 2dyz -0.004469 -0.031830 -0.004431 -0.016989 -0.036588 -0.008578 26O 2dx2y2 -0.003922 -0.044563 -0.033505 0.002332 -0.114872 -0.076967 26O 2dxy -0.002160 -0.052072 0.056871 0.024383 -0.224409 -0.067488 26O 1f0 0.004933 -0.002987 0.002307 0.024301 -0.035315 -0.199005 26O 1f+1 0.015153 -0.024403 0.134811 -0.001590 -0.134995 -0.118881 26O 1f-1 0.007678 0.020457 0.086903 0.026904 -0.117659 0.043635 26O 1f+2 -0.000684 -0.011666 0.170197 0.010259 0.013786 0.096745 26O 1f-2 -0.007825 0.035258 -0.011417 -0.045518 0.109925 0.150942 26O 1f+3 -0.005431 -0.050278 -0.185408 -0.004039 0.054212 -0.320910 26O 1f-3 0.025263 -0.100030 -0.018135 0.028415 -0.377050 0.055216 27O 1s 0.000346 -0.000492 0.000225 0.006663 0.001283 0.001798 27O 2s 0.001405 -0.002354 0.000948 0.026679 0.006777 0.007856 27O 3s -0.018764 0.034498 -0.011008 -0.391513 -0.125988 -0.127463 27O 4s 0.036418 -0.057748 0.006861 1.010483 0.408904 0.371684 27O 5s 0.022440 0.102241 -0.039802 0.655366 0.072453 0.166673 27O 1pz -0.005093 -0.010213 -0.034941 0.024349 0.025983 -0.001047 27O 1px 0.004268 -0.016900 0.000301 0.146606 0.051241 0.040315 27O 1py -0.000952 0.011972 -0.028003 -0.033431 -0.024573 -0.025609 27O 2pz 0.021891 0.039587 0.142019 -0.116783 -0.093876 0.002325 27O 2px -0.023983 0.043266 0.013789 -0.820965 -0.334855 -0.271775 27O 2py 0.004140 -0.026719 0.105996 0.238286 0.126951 0.138939 27O 3pz 0.000833 0.040901 -0.006152 -0.000237 0.067424 0.034329 27O 3px 0.029729 -0.005750 0.029356 -0.328098 -0.011174 -0.092896 27O 3py -0.027575 -0.034072 -0.000525 0.103134 -0.073853 -0.003730 27O 1dz2 -0.017635 -0.024076 -0.056804 -0.128100 -0.040314 0.005645 27O 1dxz -0.008199 -0.028026 -0.106370 0.048067 0.083195 -0.052045 27O 1dyz 0.003851 -0.013388 0.051463 -0.117308 0.038530 0.004213 27O 1dx2y2 0.000002 -0.039959 -0.061640 0.106951 0.058576 0.028822 27O 1dxy -0.012990 -0.007066 -0.058403 0.050019 -0.006370 -0.063227 27O 2dz2 -0.000719 0.025856 0.005196 -0.131966 -0.054447 -0.055954 27O 2dxz -0.004193 -0.009935 -0.059478 0.055084 0.012430 0.003384 27O 2dyz -0.001957 0.013215 0.013722 0.030467 -0.024861 0.000456 27O 2dx2y2 0.002677 -0.014650 -0.017176 0.211395 0.076216 0.058408 27O 2dxy -0.007120 0.010389 -0.046561 -0.164269 -0.049640 -0.058810 27O 1f0 -0.005167 -0.032788 -0.126328 0.080381 0.063795 -0.044825 27O 1f+1 0.016716 -0.041846 0.123377 0.284458 0.113890 0.049621 27O 1f-1 -0.010208 0.009024 -0.105662 -0.084958 -0.013127 -0.016991 27O 1f+2 0.009634 -0.012504 0.129395 -0.099956 -0.034918 0.062503 27O 1f-2 -0.004412 -0.063440 -0.133319 0.104866 0.023799 -0.014226 27O 1f+3 -0.012145 -0.048456 -0.169023 0.218897 0.113903 0.043235 27O 1f-3 -0.013089 0.025122 -0.039678 -0.139892 -0.028247 -0.111760 28O 1s -0.000113 0.000442 0.000325 -0.001485 0.005578 0.001685 28O 2s -0.000385 0.002667 0.000930 -0.004612 0.023042 0.007451 28O 3s 0.006668 -0.044320 -0.011006 0.047214 -0.343987 -0.116750 28O 4s -0.026854 0.065276 0.040347 -0.050092 0.858066 0.292761 28O 5s -0.020697 -0.107578 0.043085 -0.240190 0.524410 0.170111 28O 1pz -0.004729 0.019247 -0.030192 0.001723 0.091088 0.063270 28O 1px -0.000452 -0.014303 -0.019726 0.016458 -0.101746 -0.018183 28O 1py -0.000943 0.024177 0.040992 0.011185 0.040402 -0.026144 28O 2pz 0.025207 -0.045694 0.101935 0.005977 -0.536790 -0.306205 28O 2px -0.003266 0.042662 0.088484 -0.046200 0.537813 0.123018 28O 2py 0.007135 -0.075426 -0.168928 -0.030115 -0.209372 0.076537 28O 3pz 0.057781 -0.055208 0.000452 0.168087 -0.181034 -0.012521 28O 3px -0.035922 -0.048548 0.004697 -0.072187 0.187372 0.077279 28O 3py 0.031845 -0.032867 0.006680 0.065976 -0.009743 -0.038505 28O 1dz2 0.002638 -0.018586 -0.122542 0.012386 -0.015446 0.068943 28O 1dxz -0.004205 -0.022384 0.018119 -0.018221 -0.047789 -0.139361 28O 1dyz 0.005310 -0.012186 0.106177 -0.044894 0.121304 -0.063920 28O 1dx2y2 -0.001518 0.018056 0.003891 -0.036593 0.154964 -0.086900 28O 1dxy -0.000505 -0.054940 -0.105244 -0.084833 -0.019945 0.209813 28O 2dz2 -0.003907 0.002909 -0.048694 -0.015504 0.071346 0.065437 28O 2dxz 0.009852 -0.032137 0.012289 0.031235 -0.243038 -0.078467 28O 2dyz -0.000402 0.034369 0.035259 0.019617 0.043384 -0.003380 28O 2dx2y2 -0.003126 0.017213 0.013229 0.002449 0.072476 0.042780 28O 2dxy 0.002334 -0.008920 -0.056222 0.028479 -0.095594 -0.018568 28O 1f0 0.002532 0.062981 0.220789 0.022766 0.069794 0.033669 28O 1f+1 -0.001399 0.016810 -0.146869 -0.031534 0.143706 0.296562 28O 1f-1 0.001171 -0.097105 -0.046230 0.002055 -0.099969 0.003809 28O 1f+2 0.008991 -0.044482 0.053102 0.016973 -0.257535 -0.078855 28O 1f-2 -0.001311 0.073312 0.199399 -0.020044 0.203977 -0.156322 28O 1f+3 0.007983 -0.048018 0.060888 0.003217 -0.142126 0.029424 28O 1f-3 -0.000913 0.014322 0.108911 0.026439 0.116631 -0.216403 29O 1s 0.000142 0.000022 -0.000365 -0.000258 0.000264 0.000227 29O 2s 0.000418 0.000018 -0.001125 0.000308 0.000049 0.000499 29O 3s -0.005642 -0.000670 0.012934 -0.019120 0.009878 -0.002778 29O 4s 0.014267 0.000157 -0.032611 0.045147 -0.016569 0.015213 29O 5s -0.005064 0.017043 0.038971 0.051690 -0.069500 -0.066788 29O 1pz 0.178033 0.176836 -0.027711 -0.001987 0.001417 -0.001263 29O 1px 0.064612 0.064725 -0.010820 -0.011809 0.008750 0.000803 29O 1py -0.015714 -0.015684 0.001977 0.004183 -0.003077 -0.001269 29O 2pz -0.982269 -0.972431 0.154968 0.013820 -0.022008 0.003025 29O 2px -0.357683 -0.355929 0.056396 0.035306 -0.030518 -0.003921 29O 2py 0.085541 0.086134 -0.009091 -0.031012 0.022520 0.007549 29O 3pz 0.125162 0.131670 -0.019939 -0.008056 -0.025803 -0.009705 29O 3px 0.047844 0.043643 -0.021457 -0.048200 0.041431 0.026331 29O 3py -0.011262 -0.013672 -0.000878 -0.034408 0.028881 0.008896 29O 1dz2 0.237195 0.218190 -0.050321 0.036027 -0.024585 -0.010365 29O 1dxz -0.220547 -0.201525 0.032932 0.051528 -0.028429 -0.006264 29O 1dyz 0.361848 0.361381 -0.049580 0.000544 0.020539 0.001225 29O 1dx2y2 -0.067586 -0.061711 -0.005722 -0.038792 0.030265 0.002127 29O 1dxy 0.159542 0.159506 -0.020617 -0.018927 0.022542 0.008161 29O 2dz2 0.133338 0.137981 -0.015018 -0.017949 0.016738 0.003834 29O 2dxz -0.120178 -0.126533 0.017951 -0.019635 0.007331 0.003885 29O 2dyz 0.234605 0.228496 -0.040213 -0.007385 0.003339 -0.000806 29O 2dx2y2 -0.032590 -0.034078 0.013559 0.027106 -0.022209 -0.002504 29O 2dxy 0.103277 0.101452 -0.015914 -0.002877 0.000855 -0.001878 29O 1f0 -0.029223 -0.027366 0.003532 -0.005044 0.001598 0.000870 29O 1f+1 -0.040585 -0.036963 0.010639 -0.003636 -0.003111 -0.002252 29O 1f-1 -0.279225 -0.269343 0.047021 -0.010767 0.011876 0.009364 29O 1f+2 0.126908 0.119675 -0.023580 -0.009181 0.005718 0.003122 29O 1f-2 0.380711 0.371119 -0.055692 -0.024758 0.017121 0.000300 29O 1f+3 -0.120455 -0.117548 0.010456 -0.000419 0.001207 -0.000556 29O 1f-3 -0.182051 -0.177788 0.025930 0.003873 -0.000716 0.003507 30O 1s -0.000872 0.000570 -0.000193 -0.005575 -0.001037 -0.001569 30O 2s -0.003074 0.003127 -0.001222 -0.022706 -0.005662 -0.007079 30O 3s 0.044017 -0.060733 0.026767 0.334664 0.106380 0.113583 30O 4s -0.136879 0.157243 -0.095320 -0.820052 -0.346685 -0.305899 30O 5s -0.176338 0.144330 -0.101980 -0.605110 -0.046422 -0.108552 30O 1pz -0.000641 -0.000893 -0.051509 -0.086738 -0.034527 -0.022449 30O 1px 0.000948 -0.006715 -0.005530 0.080405 0.013828 0.023332 30O 1py -0.009408 -0.019769 -0.024504 0.066768 0.034423 0.036442 30O 2pz 0.037732 -0.028009 0.226975 0.459408 0.194443 0.132635 30O 2px -0.044706 0.072490 -0.004151 -0.425353 -0.137796 -0.144616 30O 2py -0.002685 0.100670 0.073915 -0.414703 -0.200896 -0.194021 30O 3pz 0.062587 -0.077040 0.024532 0.132713 -0.015403 0.004497 30O 3px -0.076089 0.034689 -0.041520 -0.194765 -0.071214 -0.057671 30O 3py -0.084548 0.073911 -0.029364 -0.191883 0.046367 0.003289 30O 1dz2 -0.014083 -0.012738 -0.168110 0.042396 -0.036845 0.018351 30O 1dxz 0.011496 -0.007415 0.070693 0.145488 0.079177 -0.020558 30O 1dyz 0.009920 0.002044 0.051931 0.116230 0.005056 0.033807 30O 1dx2y2 -0.010627 0.002005 -0.067831 -0.065786 0.029770 -0.007436 30O 1dxy 0.004720 0.046418 0.071275 0.057101 -0.029755 -0.074203 30O 2dz2 -0.001858 -0.024571 -0.056468 -0.022863 0.010897 0.014505 30O 2dxz 0.015064 -0.026164 0.057751 0.144973 0.042924 0.053394 30O 2dyz 0.015320 -0.033431 0.029905 0.131721 0.065151 0.049329 30O 2dx2y2 0.000844 -0.003349 -0.009321 0.023925 -0.004445 0.010683 30O 2dxy -0.009172 0.036777 0.025308 -0.191993 -0.049268 -0.052192 30O 1f0 0.012664 0.082547 0.101213 -0.188007 -0.078879 -0.066009 30O 1f+1 -0.013707 -0.035756 -0.198034 -0.132001 -0.073658 0.039144 30O 1f-1 -0.019087 -0.044631 -0.270653 -0.089250 -0.010499 -0.008019 30O 1f+2 0.005516 0.009745 0.042582 0.064156 0.041603 -0.023972 30O 1f-2 -0.002438 -0.044400 0.049027 0.308780 0.092067 0.088144 30O 1f+3 0.016881 0.010254 0.141389 -0.040048 -0.005389 -0.050096 30O 1f-3 -0.002784 -0.017297 0.027247 0.044473 0.034169 0.084451 31O 1s 0.000852 0.000641 -0.000195 0.005554 0.001019 0.001514 31O 2s 0.002982 0.003391 -0.001236 0.022642 0.005590 0.006901 31O 3s -0.042188 -0.064579 0.026896 -0.333819 -0.105323 -0.111491 31O 4s 0.131396 0.168585 -0.094630 0.816345 0.343534 0.299921 31O 5s 0.170107 0.157296 -0.100747 0.601214 0.044562 0.106230 31O 1pz -0.002053 0.000908 0.051792 -0.086396 -0.034390 -0.021242 31O 1px 0.000813 0.007163 0.005349 0.080436 0.013474 0.022999 31O 1py -0.010496 0.019632 0.024317 0.067216 0.034080 0.037186 31O 2pz 0.041676 0.030779 -0.227597 0.457062 0.193173 0.127396 31O 2px -0.042062 -0.077122 0.004260 -0.424503 -0.135925 -0.142628 31O 2py 0.002788 -0.103199 -0.073478 -0.415270 -0.198939 -0.195253 31O 3pz 0.057351 0.081317 -0.023511 0.131475 -0.014978 0.005941 31O 3px -0.072885 -0.039978 0.040937 -0.192309 -0.070857 -0.055734 31O 3py -0.080600 -0.079884 0.029214 -0.190651 0.044730 0.005043 31O 1dz2 0.017900 -0.012933 -0.167649 -0.043948 0.036677 -0.019802 31O 1dxz -0.013096 -0.008019 0.071548 -0.144338 -0.078983 0.025457 31O 1dyz -0.010734 0.001114 0.052003 -0.115609 -0.004488 -0.033241 31O 1dx2y2 0.011709 0.002709 -0.067509 0.065182 -0.029995 0.008049 31O 1dxy -0.007952 0.046341 0.071971 -0.055642 0.029898 0.078560 31O 2dz2 0.004031 -0.024706 -0.056642 0.022435 -0.010675 -0.015591 31O 2dxz -0.015158 -0.027484 0.057731 -0.144544 -0.042513 -0.053136 31O 2dyz -0.014902 -0.034723 0.029979 -0.131642 -0.064914 -0.048865 31O 2dx2y2 -0.000418 -0.003620 -0.009317 -0.023924 0.004660 -0.010900 31O 2dxy 0.007209 0.038281 0.024900 0.192011 0.048680 0.051528 31O 1f0 0.016894 -0.083046 -0.100263 -0.189342 -0.078326 -0.065783 31O 1f+1 -0.019176 0.035510 0.198862 -0.129316 -0.073293 0.046613 31O 1f-1 -0.027034 0.044767 0.270414 -0.087897 -0.011194 -0.006621 31O 1f+2 0.006711 -0.009112 -0.043157 0.063033 0.041373 -0.027939 31O 1f-2 -0.002435 0.045194 -0.049996 0.308744 0.091225 0.086567 31O 1f+3 0.020405 -0.010149 -0.141177 -0.041206 -0.004943 -0.051458 31O 1f-3 -0.002847 0.017223 -0.026734 0.045350 0.034256 0.088572 32O 1s -0.000131 0.000007 -0.000359 0.000262 -0.000250 -0.000229 32O 2s -0.000376 -0.000030 -0.001102 -0.000294 -0.000005 -0.000505 32O 3s 0.005085 -0.000066 0.012599 0.018935 -0.010317 0.002824 32O 4s -0.013328 -0.001211 -0.031707 -0.044983 0.017675 -0.015410 32O 5s 0.005462 0.017996 0.038197 -0.050653 0.066907 0.067499 32O 1pz 0.187422 -0.167445 0.031411 -0.001184 0.001551 -0.001417 32O 1px 0.067309 -0.060514 0.012074 -0.011375 0.008823 0.000814 32O 1py -0.011913 0.010758 -0.001549 0.003940 -0.003049 -0.001323 32O 2pz -1.033737 0.920340 -0.175535 0.009289 -0.022696 0.004093 32O 2px -0.371933 0.332334 -0.063253 0.033147 -0.030596 -0.003764 32O 2py 0.064385 -0.058536 0.006741 -0.029871 0.021895 0.007639 32O 3pz 0.131947 -0.125610 0.022843 -0.006972 -0.025490 -0.009695 32O 3px 0.051561 -0.041431 0.022317 -0.046964 0.041389 0.026666 32O 3py -0.009037 0.010838 0.001411 -0.034713 0.027842 0.009083 32O 1dz2 -0.229594 0.189294 -0.052007 -0.037424 0.025425 0.010327 32O 1dxz 0.239908 -0.197288 0.039192 -0.049989 0.028753 0.006693 32O 1dyz -0.386084 0.346545 -0.058360 -0.003344 -0.019649 -0.000289 32O 1dx2y2 0.080859 -0.067155 -0.002829 0.039044 -0.029437 -0.001954 32O 1dxy -0.160589 0.143489 -0.022832 0.017521 -0.022470 -0.007447 32O 2dz2 -0.130086 0.121358 -0.015977 0.017043 -0.016507 -0.003527 32O 2dxz 0.131770 -0.124415 0.021144 0.019878 -0.007122 -0.004387 32O 2dyz -0.249940 0.218909 -0.045458 0.006285 -0.003699 0.000924 32O 2dx2y2 0.040914 -0.038041 0.015389 -0.027098 0.022224 0.002315 32O 2dxy -0.103238 0.091449 -0.017172 0.002204 -0.000491 0.001709 32O 1f0 -0.014672 0.012072 -0.001377 -0.004209 0.001064 0.000470 32O 1f+1 -0.053317 0.044392 -0.013204 -0.002960 -0.004063 -0.002292 32O 1f-1 -0.285824 0.248260 -0.051241 -0.012985 0.012485 0.009654 32O 1f+2 0.132584 -0.112485 0.026338 -0.007599 0.005064 0.002987 32O 1f-2 0.406173 -0.355456 0.064110 -0.022611 0.016876 -0.000104 32O 1f+3 -0.110042 0.096536 -0.010421 -0.001845 0.001701 -0.000693 32O 1f-3 -0.195265 0.171504 -0.030194 0.002828 -0.000588 0.003489 33O 1s 0.000068 0.000437 0.000313 0.001488 -0.005541 -0.001782 33O 2s 0.000134 0.002637 0.000873 0.004618 -0.022941 -0.007805 33O 3s -0.002194 -0.043731 -0.009913 -0.047235 0.343004 0.121664 33O 4s 0.017348 0.063279 0.036343 0.050066 -0.853808 -0.307506 33O 5s 0.020014 -0.110170 0.037175 0.242627 -0.521929 -0.180437 33O 1pz -0.003651 -0.019451 0.030312 0.001998 0.091520 0.064021 33O 1px -0.001755 0.014118 0.019546 0.016665 -0.101421 -0.019555 33O 1py 0.001407 -0.023945 -0.041086 0.011104 0.040207 -0.026030 33O 2pz 0.021222 0.045839 -0.104318 0.005318 -0.536783 -0.312944 33O 2px 0.003061 -0.040855 -0.086379 -0.047020 0.535865 0.131828 33O 2py -0.001461 0.074488 0.168756 -0.029672 -0.208551 0.074598 33O 3pz 0.050392 0.057157 -0.002056 0.167957 -0.180231 -0.012418 33O 3px -0.035084 0.047932 -0.002153 -0.072118 0.185764 0.082213 33O 3py 0.028571 0.035368 -0.006586 0.065645 -0.011263 -0.037723 33O 1dz2 0.001405 -0.017968 -0.122920 -0.012610 0.015101 -0.068705 33O 1dxz 0.006400 -0.021662 0.018843 0.018616 0.049421 0.140292 33O 1dyz -0.006721 -0.012977 0.105448 0.045683 -0.119547 0.060808 33O 1dx2y2 0.000552 0.018049 0.003590 0.036885 -0.153578 0.085679 33O 1dxy 0.006218 -0.053833 -0.106406 0.084618 0.018531 -0.210516 33O 2dz2 0.003947 0.002959 -0.049196 0.015260 -0.071295 -0.065947 33O 2dxz -0.006906 -0.032193 0.013261 -0.031246 0.242918 0.081080 33O 2dyz -0.002716 0.034053 0.035085 -0.019612 -0.043886 0.003228 33O 2dx2y2 0.001002 0.016891 0.012917 -0.002487 -0.072851 -0.043644 33O 2dxy -0.000428 -0.008867 -0.055851 -0.028759 0.095569 0.020296 33O 1f0 0.010786 -0.062480 -0.220390 0.022186 0.071235 0.035367 33O 1f+1 -0.002387 -0.017386 0.148311 -0.030835 0.145758 0.298361 33O 1f-1 -0.006458 0.096554 0.045617 0.001808 -0.101370 0.004527 33O 1f+2 0.006025 0.044573 -0.054022 0.016796 -0.257719 -0.081302 33O 1f-2 0.007077 -0.072541 -0.199352 -0.020928 0.202256 -0.153401 33O 1f+3 0.005535 0.048165 -0.061332 0.003096 -0.142387 0.029830 33O 1f-3 0.002055 -0.013567 -0.109611 0.025720 0.113852 -0.214562 34O 1s -0.000340 -0.000535 0.000247 -0.006658 -0.001264 -0.001741 34O 2s -0.001382 -0.002534 0.001035 -0.026677 -0.006701 -0.007661 34O 3s 0.018776 0.037071 -0.012256 0.391846 0.124778 0.124897 34O 4s -0.038166 -0.063540 0.010320 -1.011947 -0.405150 -0.364265 34O 5s -0.030463 0.099843 -0.038359 -0.658984 -0.068986 -0.160895 34O 1pz -0.005827 0.010146 0.034580 0.024365 0.025956 -0.002433 34O 1px 0.003827 0.017907 -0.000798 0.146736 0.050824 0.039358 34O 1py -0.001115 -0.012209 0.027979 -0.033733 -0.024527 -0.026886 34O 2pz 0.025236 -0.039458 -0.140402 -0.116786 -0.093456 0.007657 34O 2px -0.024661 -0.048258 -0.011148 -0.822281 -0.331726 -0.265616 34O 2py 0.006092 0.027779 -0.106217 0.239715 0.126340 0.142439 34O 3pz 0.002720 -0.040571 0.006552 -0.000199 0.067163 0.031893 34O 3px 0.025616 0.008071 -0.027755 -0.329394 -0.009903 -0.090568 34O 3py -0.026915 0.031919 -0.000086 0.103466 -0.072921 -0.004714 34O 1dz2 0.020651 -0.023453 -0.056812 0.127388 0.040213 -0.009055 34O 1dxz 0.011311 -0.028568 -0.104673 -0.047373 -0.082478 0.057969 34O 1dyz -0.004879 -0.012627 0.050809 0.117045 -0.039201 -0.006429 34O 1dx2y2 0.002636 -0.041163 -0.060851 -0.107262 -0.058008 -0.027695 34O 1dxy 0.014397 -0.006608 -0.057182 -0.049240 0.006579 0.067492 34O 2dz2 -0.000066 0.026742 0.004646 0.132418 0.053926 0.055884 34O 2dxz 0.005547 -0.010169 -0.059013 -0.055121 -0.012172 -0.001815 34O 2dyz 0.001417 0.013204 0.013783 -0.030297 0.025012 -0.000425 34O 2dx2y2 -0.002760 -0.015594 -0.016482 -0.211696 -0.075573 -0.056558 34O 2dxy 0.008239 0.011207 -0.046886 0.164608 0.049244 0.058881 34O 1f0 -0.008564 0.033631 0.124897 0.079668 0.063178 -0.050819 34O 1f+1 0.018132 0.043773 -0.124366 0.283645 0.113372 0.046213 34O 1f-1 -0.011590 -0.009718 0.105780 -0.084406 -0.012837 -0.017433 34O 1f+2 0.011509 0.012047 -0.127592 -0.098652 -0.034048 0.070741 34O 1f-2 -0.009016 0.064344 0.132405 0.105438 0.023823 -0.016565 34O 1f+3 -0.016465 0.049476 0.167443 0.219455 0.113047 0.038768 34O 1f-3 -0.013163 -0.026501 0.038825 -0.141108 -0.028198 -0.116843 35O 1s 0.000634 -0.000863 0.000027 -0.001714 0.006324 0.002342 35O 2s 0.002087 -0.004670 0.000494 -0.005538 0.026324 0.009948 35O 3s -0.028473 0.088840 -0.013876 0.058434 -0.401667 -0.155048 35O 4s 0.092835 -0.238603 0.047428 -0.071247 1.075692 0.416832 35O 5s 0.129191 -0.176912 0.032536 -0.199870 0.676837 0.240326 35O 1pz 0.004408 0.015056 0.014892 -0.012118 -0.033020 -0.045039 35O 1px 0.005025 0.018976 0.007787 0.020277 -0.131274 -0.069824 35O 1py 0.008856 0.015786 -0.035614 0.002954 -0.094966 0.009830 35O 2pz -0.009063 -0.063041 -0.060317 0.030023 0.211610 0.205316 35O 2px 0.022944 -0.150973 -0.013565 -0.059896 0.769579 0.374192 35O 2py -0.014164 -0.084620 0.149327 -0.014052 0.514030 0.025644 35O 3pz 0.025766 -0.067854 -0.014839 -0.099874 0.017994 -0.032751 35O 3px 0.085451 -0.105871 -0.006072 -0.077423 0.279543 0.066919 35O 3py 0.060825 -0.064868 -0.002584 -0.087888 0.112159 0.047084 35O 1dz2 0.002975 0.014225 -0.067799 -0.021619 -0.010373 -0.059056 35O 1dxz 0.008129 -0.026193 -0.064241 0.056852 -0.076622 0.115433 35O 1dyz -0.004779 0.036532 0.011993 -0.054551 0.042037 0.108823 35O 1dx2y2 0.009644 -0.034084 -0.086447 -0.033495 0.049632 0.183554 35O 1dxy -0.005571 -0.024761 0.048053 -0.000175 0.169811 -0.165825 35O 2dz2 -0.002740 0.033068 -0.008778 0.025662 -0.155614 -0.041668 35O 2dxz 0.003638 -0.024451 -0.028495 -0.027153 0.129059 0.072284 35O 2dyz 0.006873 -0.031463 -0.004322 0.017109 0.037126 0.008431 35O 2dx2y2 0.007591 -0.044026 -0.033208 -0.002157 0.115407 0.078192 35O 2dxy 0.004593 -0.051967 0.057199 -0.024159 0.225013 0.069598 35O 1f0 0.004414 0.003730 -0.003115 0.024150 -0.036949 -0.200389 35O 1f+1 0.015760 0.025785 -0.135089 -0.002049 -0.136116 -0.119583 35O 1f-1 0.011009 -0.019815 -0.087054 0.027107 -0.115953 0.041674 35O 1f+2 0.001649 0.012307 -0.169750 0.009840 0.013621 0.100000 35O 1f-2 -0.004543 -0.035941 0.011934 -0.045236 0.111784 0.151670 35O 1f+3 -0.013175 0.049861 0.184819 -0.004548 0.050019 -0.321211 35O 1f-3 0.017236 0.100707 0.018226 0.028560 -0.376206 0.052785 672 673 674 675 676 677 6.05120 6.05186 6.05308 6.08246 6.08639 6.09705 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s -0.000834 -0.000016 0.000042 -0.000003 -0.000109 0.000498 0Rh 2s 0.006070 0.000043 -0.000468 0.000112 0.000737 -0.003772 0Rh 3s -0.001472 -0.000070 -0.000019 0.000047 -0.000228 0.000797 0Rh 4s -0.038444 -0.000322 0.002898 -0.000657 -0.004748 0.024054 0Rh 5s 0.104798 0.000735 -0.008592 0.001895 0.013212 -0.067482 0Rh 6s -0.123173 0.000460 0.014288 -0.002834 -0.016486 0.082184 0Rh 7s 0.121985 -0.016516 -0.086358 -0.014172 0.062388 0.172106 0Rh 8s -0.102466 0.006899 0.026065 0.028347 -0.011814 0.499132 0Rh 1pz 0.010362 0.018333 0.022936 -0.030636 0.088698 0.015226 0Rh 1px -0.040974 0.013308 0.009940 0.007922 0.030779 0.081543 0Rh 1py -0.011772 -0.030584 0.012177 -0.092963 -0.025436 0.075437 0Rh 2pz -0.043265 -0.076594 -0.095716 0.127956 -0.370359 -0.063522 0Rh 2px 0.171078 -0.055588 -0.041503 -0.033087 -0.128497 -0.340995 0Rh 2py 0.049156 0.127640 -0.050935 0.388170 0.106244 -0.315253 0Rh 3pz 0.141870 0.252311 0.312830 -0.420030 1.213421 0.206887 0Rh 3px -0.561119 0.182891 0.136302 0.108639 0.420424 1.127787 0Rh 3py -0.161297 -0.417363 0.169083 -1.271947 -0.348913 1.038272 0Rh 4pz -0.187040 -0.337537 -0.409195 0.555047 -1.594739 -0.267041 0Rh 4px 0.740366 -0.243962 -0.181589 -0.143705 -0.550035 -1.514536 0Rh 4py 0.213122 0.546944 -0.230782 1.672133 0.461557 -1.379483 0Rh 5pz 0.104768 0.204212 0.225954 -0.320666 0.900447 0.135003 0Rh 5px -0.416715 0.147301 0.112540 0.083622 0.302439 0.918364 0Rh 5py -0.121071 -0.306065 0.150177 -0.944188 -0.267644 0.797461 0Rh 6pz -0.033075 0.090792 -0.056984 0.106327 -0.394558 0.242808 0Rh 6px 0.180414 -0.029966 -0.136831 -0.047974 -0.078037 -1.384041 0Rh 6py 0.053519 0.119851 0.103683 0.372005 0.077584 -0.483925 0Rh 1dz2 -0.000876 0.001719 -0.001414 0.001482 -0.005208 0.000293 0Rh 1dxz 0.001610 -0.000902 0.000920 -0.002656 0.007887 -0.005518 0Rh 1dyz -0.004802 0.000046 0.001233 0.003190 0.002090 0.000430 0Rh 1dx2y2 -0.001191 0.000946 0.001133 0.002233 0.003176 0.003678 0Rh 1dxy -0.001195 -0.002098 -0.001866 -0.008539 -0.001084 -0.005548 0Rh 2dz2 0.000738 -0.000321 0.000387 -0.000481 0.001599 -0.001562 0Rh 2dxz 0.000229 0.000509 -0.000226 0.000746 -0.002446 -0.000413 0Rh 2dyz 0.002117 -0.000096 -0.000258 -0.000969 -0.000465 -0.000410 0Rh 2dx2y2 -0.001108 -0.000023 -0.000536 -0.000617 -0.000948 0.002011 0Rh 2dxy -0.000015 0.000623 0.000669 0.002594 0.000358 0.002707 0Rh 3dz2 0.000812 -0.007470 0.005538 -0.005531 0.019706 0.006622 0Rh 3dxz -0.009964 0.002333 -0.003738 0.010414 -0.029752 0.031694 0Rh 3dyz 0.015202 0.000197 -0.005264 -0.012171 -0.008800 -0.000092 0Rh 3dx2y2 0.012177 -0.004874 -0.003371 -0.008789 -0.012144 -0.030131 0Rh 3dxy 0.006681 0.007984 0.006587 0.032399 0.003908 0.015607 0Rh 4dz2 0.003541 0.016033 -0.011217 0.011391 -0.039908 -0.027969 0Rh 4dxz 0.028729 -0.004101 0.007626 -0.021472 0.060202 -0.082133 0Rh 4dyz -0.029665 -0.000681 0.011666 0.025500 0.019062 -0.003631 0Rh 4dx2y2 -0.039348 0.011362 0.006116 0.018335 0.024848 0.089113 0Rh 4dxy -0.019395 -0.016004 -0.013003 -0.065502 -0.007403 -0.020392 0Rh 5dz2 -0.038377 -0.016130 0.014723 -0.018782 0.056890 0.101603 0Rh 5dxz -0.078226 -0.003308 -0.012134 0.036239 -0.088509 0.168828 0Rh 5dyz 0.016275 -0.001234 -0.017536 -0.038892 -0.035091 0.026566 0Rh 5dx2y2 0.119427 -0.023399 -0.005449 -0.029208 -0.039361 -0.226335 0Rh 5dxy 0.048568 0.022396 0.005841 0.098204 0.011529 -0.032833 0Rh 1f0 -0.006962 -0.004695 0.001004 -0.008689 -0.007374 0.017535 0Rh 1f+1 0.005868 0.001563 0.002080 -0.002658 0.001676 -0.008498 0Rh 1f-1 -0.000469 0.000964 0.008145 -0.017079 0.008311 0.010724 0Rh 1f+2 0.008283 -0.008042 -0.002179 0.000481 -0.015839 -0.018777 0Rh 1f-2 0.003292 -0.005080 0.003980 -0.011382 -0.004470 0.000532 0Rh 1f+3 0.010999 0.006176 0.000868 0.003580 0.008678 -0.020927 0Rh 1f-3 0.007320 -0.001738 0.002660 -0.003383 -0.002739 -0.009665 1Rh 1s 0.000835 -0.000044 0.000027 0.000001 -0.000117 -0.000498 1Rh 2s -0.006084 0.000249 -0.000355 0.000079 0.000789 0.003776 1Rh 3s 0.001470 -0.000120 -0.000046 0.000055 -0.000245 -0.000799 1Rh 4s 0.038533 -0.001625 0.002181 -0.000447 -0.005075 -0.024084 1Rh 5s -0.105073 0.004290 -0.006646 0.001317 0.014095 0.067564 1Rh 6s 0.123690 -0.003728 0.012023 -0.002147 -0.017517 -0.082266 1Rh 7s -0.125902 -0.012429 -0.083253 -0.013708 0.066461 -0.171785 1Rh 8s 0.104055 0.002151 0.025277 0.029993 -0.009966 -0.498931 1Rh 1pz 0.008332 -0.018721 -0.022932 0.030421 -0.088370 0.014912 1Rh 1px -0.041904 -0.011935 -0.009335 -0.008443 -0.031181 0.081378 1Rh 1py -0.011292 0.030866 -0.011768 0.092694 0.025462 0.075945 1Rh 2pz -0.034791 0.078218 0.095700 -0.127059 0.368992 -0.062210 1Rh 2px 0.174962 0.049856 0.038979 0.035265 0.130179 -0.340303 1Rh 2py 0.047157 -0.128818 0.049228 -0.387050 -0.106353 -0.317376 1Rh 3pz 0.114123 -0.257642 -0.312769 0.417098 -1.208927 0.202592 1Rh 3px -0.573869 -0.164079 -0.128051 -0.115817 -0.426000 1.125532 1Rh 3py -0.154862 0.421240 -0.163469 1.268279 0.349252 1.045232 1Rh 4pz -0.150540 0.344579 0.409073 -0.551211 1.588775 -0.261417 1Rh 4px 0.757296 0.219105 0.170794 0.153277 0.557566 -1.511611 1Rh 4py 0.205052 -0.552106 0.223320 -1.667320 -0.461935 -1.388611 1Rh 5pz 0.084070 -0.208193 -0.225720 0.318541 -0.896950 0.131922 1Rh 5px -0.426903 -0.133209 -0.106755 -0.089276 -0.307189 0.916814 1Rh 5py -0.117397 0.309088 -0.145807 0.941542 0.267664 0.802572 1Rh 6pz -0.030067 -0.088905 0.054018 -0.106514 0.390904 0.242399 1Rh 6px 0.187756 0.022644 0.139087 0.054447 0.089828 -1.383336 1Rh 6py 0.046157 -0.121890 -0.106281 -0.371760 -0.074452 -0.489916 1Rh 1dz2 0.000817 0.001792 -0.001471 0.001487 -0.005214 -0.000318 1Rh 1dxz -0.001562 -0.000879 0.000959 -0.002699 0.007912 0.005524 1Rh 1dyz 0.004866 0.000175 0.001041 0.003177 0.002041 -0.000381 1Rh 1dx2y2 0.001276 0.000936 0.001072 0.002233 0.003163 -0.003664 1Rh 1dxy 0.001055 -0.002022 -0.001891 -0.008559 -0.001065 0.005476 1Rh 2dz2 -0.000724 -0.000325 0.000416 -0.000495 0.001593 0.001572 1Rh 2dxz -0.000237 0.000532 -0.000228 0.000747 -0.002463 0.000414 1Rh 2dyz -0.002130 -0.000141 -0.000179 -0.000967 -0.000448 0.000390 1Rh 2dx2y2 0.001077 -0.000065 -0.000533 -0.000604 -0.000931 -0.002013 1Rh 2dxy 0.000061 0.000580 0.000676 0.002605 0.000359 -0.002683 1Rh 3dz2 -0.000567 -0.007850 0.005697 -0.005481 0.019769 -0.006538 1Rh 3dxz 0.009753 0.002083 -0.003943 0.010638 -0.029793 -0.031730 1Rh 3dyz -0.015478 -0.000273 -0.004632 -0.012114 -0.008621 -0.000075 1Rh 3dx2y2 -0.012474 -0.004598 -0.003056 -0.008859 -0.012165 0.030064 1Rh 3dxy -0.006171 0.007802 0.006691 0.032450 0.003803 -0.015339 1Rh 4dz2 -0.004045 0.017056 -0.011456 0.011176 -0.040082 0.027806 1Rh 4dxz -0.028293 -0.003290 0.008179 -0.022027 0.060228 0.082220 1Rh 4dyz 0.030276 0.000373 0.010396 0.025360 0.018685 0.003956 1Rh 4dx2y2 0.039936 0.010356 0.005259 0.018612 0.024969 -0.088961 1Rh 4dxy 0.018381 -0.015792 -0.013320 -0.065553 -0.007161 0.019848 1Rh 5dz2 0.039226 -0.018426 0.014183 -0.018065 0.057035 -0.101389 1Rh 5dxz 0.077327 -0.005775 -0.013605 0.037328 -0.088545 -0.169152 1Rh 5dyz -0.017274 -0.002532 -0.016771 -0.038746 -0.034847 -0.027057 1Rh 5dx2y2 -0.120263 -0.019853 -0.003186 -0.030231 -0.039458 0.226073 1Rh 5dxy -0.047607 0.023175 0.006680 0.097939 0.011203 0.033526 1Rh 1f0 -0.006809 0.004931 -0.000866 0.008594 0.007329 0.017578 1Rh 1f+1 0.005711 -0.001763 -0.002174 0.002703 -0.001613 -0.008500 1Rh 1f-1 -0.000889 -0.000967 -0.008097 0.017046 -0.008261 0.010715 1Rh 1f+2 0.008688 0.007767 0.002072 -0.000345 0.015903 -0.018700 1Rh 1f-2 0.003303 0.004980 -0.004002 0.011383 0.004496 0.000551 1Rh 1f+3 0.010718 -0.006498 -0.001019 -0.003491 -0.008558 -0.020967 1Rh 1f-3 0.007269 0.001475 -0.002825 0.003441 0.002793 -0.009623 2C 1s -0.000062 0.000077 -0.000131 0.000284 -0.000245 -0.000107 2C 2s 0.000146 0.000111 -0.000026 0.000068 -0.000134 -0.001263 2C 3s -0.017082 -0.002604 -0.008980 0.024998 -0.017083 0.136943 2C 4s 0.073180 0.005474 0.038274 -0.063926 0.042665 -0.692038 2C 5s -0.096785 -0.040792 -0.169993 0.180301 -0.067256 0.350078 2C 1pz -0.000529 0.004811 -0.002324 -0.007585 0.001618 0.009383 2C 1px -0.004689 -0.006140 -0.002656 0.015746 -0.009896 0.011214 2C 1py 0.000584 -0.005857 0.007609 0.005716 0.001118 0.012579 2C 2pz 0.006277 -0.051405 0.042945 0.123584 -0.054987 -0.222696 2C 2px 0.052211 0.051327 0.014361 -0.113620 0.065870 -0.164567 2C 2py -0.006173 0.058794 -0.084627 -0.020287 -0.037245 -0.251568 2C 3pz 0.011508 -0.026345 0.006060 0.041619 -0.035680 0.034673 2C 3px -0.025751 -0.010948 -0.015640 -0.076744 0.083675 -0.005514 2C 3py -0.038467 0.028708 -0.071542 0.000583 0.026650 0.044645 2C 1dz2 0.003057 0.010477 0.001763 -0.031617 0.020746 -0.019845 2C 1dxz -0.009909 -0.007189 -0.016866 0.056017 -0.041276 0.016055 2C 1dyz 0.003627 -0.001375 0.006995 -0.003668 0.004173 -0.012991 2C 1dx2y2 0.002107 0.005553 -0.002111 -0.003364 0.000822 -0.005259 2C 1dxy -0.007537 -0.007954 -0.012247 0.041312 -0.031438 0.014650 2C 2dz2 0.023256 -0.040912 0.060871 0.040740 -0.014934 -0.043557 2C 2dxz -0.032123 0.014306 -0.074507 0.051723 -0.054212 -0.028836 2C 2dyz -0.000897 0.039316 -0.032055 -0.045262 0.013101 -0.106385 2C 2dx2y2 0.021177 0.028930 0.006126 -0.112268 0.064431 -0.045805 2C 2dxy 0.011774 -0.035833 0.050692 0.049249 -0.001110 0.009785 2C 1f0 0.027712 -0.001307 0.042269 -0.048950 0.039968 -0.036568 2C 1f+1 -0.023874 0.017452 -0.049032 0.026033 -0.030102 0.020146 2C 1f-1 -0.006340 0.015650 -0.020658 -0.023135 0.010004 -0.024061 2C 1f+2 -0.021402 0.006742 -0.037499 0.029168 -0.027308 0.018755 2C 1f-2 0.000650 -0.028488 0.014683 0.060305 -0.035435 0.015478 2C 1f+3 0.008346 -0.029318 0.033537 0.049120 -0.023264 0.020883 2C 1f-3 0.009786 -0.008976 0.024948 -0.012180 0.013765 0.012574 3C 1s 0.000106 -0.000248 -0.000004 -0.000212 -0.000197 0.000296 3C 2s 0.000042 -0.000129 -0.000129 -0.000161 -0.000001 0.000848 3C 3s 0.005441 -0.013373 0.001140 -0.014009 -0.022508 -0.043928 3C 4s -0.016495 0.048428 0.021925 0.049895 0.073083 0.258483 3C 5s -0.010168 -0.126379 0.053113 -0.105541 -0.080171 -0.098413 3C 1pz -0.000258 0.007394 -0.001834 0.003974 0.001757 -0.005973 3C 1px 0.019869 0.003059 0.008422 -0.007999 -0.017535 0.012393 3C 1py 0.005648 0.002803 0.002278 -0.001315 -0.004416 0.006003 3C 2pz 0.001304 -0.072449 0.027116 -0.037230 -0.021609 0.147779 3C 2px -0.190220 -0.054327 -0.067761 0.051928 0.136038 -0.130193 3C 2py -0.086478 -0.036434 -0.058363 0.025769 0.072908 -0.187875 3C 3pz -0.021759 -0.031030 -0.020780 -0.028698 -0.030182 0.000728 3C 3px -0.075095 -0.043102 -0.013681 0.090348 0.080468 0.017449 3C 3py -0.038748 -0.011572 -0.023585 0.040464 0.014851 0.021492 3C 1dz2 -0.002012 0.012460 -0.002037 0.014540 0.016405 -0.006005 3C 1dxz 0.013173 -0.009715 0.007041 -0.025314 -0.034396 0.023509 3C 1dyz 0.006916 -0.014510 0.003794 -0.019867 -0.025735 0.002712 3C 1dx2y2 0.011518 -0.004280 0.002893 -0.023648 -0.032197 0.014518 3C 1dxy -0.018115 0.015058 -0.009287 0.036791 0.050167 -0.020992 3C 2dz2 -0.052173 -0.051765 -0.025633 0.003651 0.033397 -0.007596 3C 2dxz 0.073348 -0.004044 0.041655 -0.065816 -0.127161 0.116633 3C 2dyz -0.006315 -0.026889 -0.002176 -0.029018 -0.036273 -0.002637 3C 2dx2y2 -0.055474 -0.009698 -0.027584 0.025693 0.028649 -0.047800 3C 2dxy 0.117358 0.094093 0.038951 0.005387 -0.028456 -0.000260 3C 1f0 -0.041854 -0.028493 -0.023374 0.006354 0.019158 -0.010250 3C 1f+1 0.037210 0.050087 0.017115 0.011243 0.000990 0.004941 3C 1f-1 0.024079 0.010317 0.014318 -0.015652 -0.025646 0.002674 3C 1f+2 0.032500 -0.003546 0.021219 -0.035494 -0.054938 0.010938 3C 1f-2 -0.036120 -0.028596 -0.018712 0.015533 0.031651 -0.015807 3C 1f+3 -0.035377 -0.059139 -0.015097 -0.034792 -0.032944 0.024671 3C 1f-3 0.008999 -0.024523 0.007689 -0.045774 -0.062324 0.055681 4C 1s 0.000855 0.000624 0.000097 -0.001003 0.000668 -0.012002 4C 2s 0.001390 0.000959 0.000119 -0.001305 0.000678 -0.018954 4C 3s -0.003785 -0.003344 0.004104 -0.035462 0.028151 0.034777 4C 4s -0.022220 -0.003999 0.004479 0.172060 -0.135108 0.463005 4C 5s 0.090001 0.029618 0.057472 -0.034959 -0.007959 -0.500022 4C 1pz 0.015809 0.014668 0.019808 -0.062051 0.045470 0.034639 4C 1px -0.061186 -0.053366 -0.049527 0.188016 -0.132485 0.143438 4C 1py -0.016264 -0.008083 -0.013386 0.030298 -0.022683 0.075392 4C 2pz 0.127954 0.121735 0.134170 -0.418559 0.290371 -0.697059 4C 2px -0.353432 -0.299095 -0.537688 1.595354 -1.162325 0.936023 4C 2py -0.038990 -0.106405 -0.052773 0.360617 -0.250404 -0.017903 4C 3pz -0.033970 -0.037119 -0.113856 0.027532 0.039631 -0.106679 4C 3px 0.073520 0.089459 0.022003 0.131288 -0.154807 -0.071159 4C 3py 0.022859 0.001547 -0.038602 0.065911 -0.038538 -0.147165 4C 1dz2 0.065393 0.007874 0.083497 -0.101301 0.077014 -0.161445 4C 1dxz -0.099285 0.010278 -0.153019 0.175437 -0.138695 0.082959 4C 1dyz -0.027895 0.045738 -0.076196 -0.023989 0.005642 -0.026667 4C 1dx2y2 -0.055348 0.071431 -0.122448 -0.012691 -0.010464 0.100834 4C 1dxy 0.017859 -0.156871 0.145313 0.205088 -0.114455 0.190248 4C 2dz2 0.058380 0.018781 0.143416 -0.280261 0.225641 -0.042270 4C 2dxz -0.077244 -0.056587 -0.193575 0.377643 -0.289993 0.184131 4C 2dyz -0.008837 0.011120 -0.023108 -0.038003 0.014438 0.116263 4C 2dx2y2 -0.008025 -0.017537 -0.021596 0.104851 -0.087789 0.002952 4C 2dxy -0.059846 -0.051795 -0.127800 0.363211 -0.243812 0.154103 4C 1f0 0.024753 -0.110019 0.119331 0.149877 -0.063648 0.091309 4C 1f+1 -0.032677 0.082065 -0.104930 -0.145143 0.064344 -0.039391 4C 1f-1 -0.025226 0.068440 -0.096186 -0.053293 0.005750 -0.071862 4C 1f+2 0.014130 0.085998 -0.045691 -0.155190 0.084050 -0.115312 4C 1f-2 0.047505 -0.037165 0.109559 -0.015225 0.044640 -0.032225 4C 1f+3 0.124970 -0.094328 0.259670 -0.096799 0.131827 -0.079902 4C 1f-3 0.050843 0.028320 0.060876 -0.087023 0.070307 -0.108958 5C 1s 0.000641 0.001750 0.000461 0.000992 0.000358 0.004861 5C 2s 0.000917 0.002764 0.000703 0.001681 0.000441 0.007800 5C 3s -0.001847 0.007098 -0.004091 0.011225 0.033927 -0.053053 5C 4s -0.029498 -0.102645 0.011348 -0.083390 -0.166367 -0.030201 5C 5s -0.005803 0.040854 -0.009749 -0.006871 0.002291 0.194010 5C 1pz -0.037484 0.015462 -0.019515 0.041373 0.058942 -0.065379 5C 1px 0.101379 -0.063004 0.045370 -0.134205 -0.176087 0.133196 5C 1py 0.018177 -0.010297 0.011535 -0.023174 -0.033355 0.063726 5C 2pz -0.126088 0.246285 -0.062315 0.343426 0.442936 -0.125636 5C 2px 0.477010 -0.667520 0.271549 -1.154424 -1.541468 1.111793 5C 2py 0.110772 -0.039485 0.019210 -0.178296 -0.243028 0.027126 5C 3pz -0.007149 -0.030509 0.055106 0.008101 0.038561 0.009701 5C 3px 0.059620 0.013195 -0.084583 -0.161684 -0.123555 -0.027704 5C 3py 0.033634 0.045486 -0.028508 0.029967 -0.017719 -0.175892 5C 1dz2 -0.148479 -0.060409 -0.083028 0.063639 0.101703 -0.035334 5C 1dxz 0.265538 0.164748 0.140594 -0.090987 -0.164850 0.165959 5C 1dyz 0.038957 -0.040523 0.019811 -0.060890 -0.080414 0.071147 5C 1dx2y2 0.079944 -0.018176 0.033182 -0.090975 -0.122732 0.081829 5C 1dxy 0.050218 0.198107 0.029050 0.122394 0.144300 -0.180017 5C 2dz2 -0.031699 0.076745 -0.025669 0.124635 0.186408 -0.036935 5C 2dxz -0.000519 -0.098044 0.004209 -0.123582 -0.183350 0.033083 5C 2dyz 0.013079 -0.100231 0.031580 -0.139407 -0.183704 0.088624 5C 2dx2y2 -0.006828 -0.190117 0.040242 -0.222301 -0.293155 0.184073 5C 2dxy 0.018523 0.266028 -0.008112 0.322225 0.378518 -0.107266 5C 1f0 -0.131299 -0.204867 -0.058619 -0.069278 -0.032270 0.018293 5C 1f+1 0.121621 0.142880 0.065158 0.063853 0.033889 -0.151504 5C 1f-1 0.101611 0.082470 0.055335 0.012094 -0.019923 -0.010875 5C 1f+2 0.053874 0.157322 0.013720 0.091799 0.086912 -0.015889 5C 1f-2 -0.159492 -0.100845 -0.083573 0.032179 0.090893 -0.091259 5C 1f+3 -0.248859 -0.112207 -0.135653 0.123288 0.236067 -0.141090 5C 1f-3 -0.076946 -0.044614 -0.034966 0.071610 0.114958 -0.130014 6C 1s -0.000571 0.001778 0.000458 0.000998 0.000364 -0.004843 6C 2s -0.000809 0.002805 0.000694 0.001690 0.000451 -0.007751 6C 3s 0.002312 0.008035 -0.004150 0.011702 0.034612 0.052760 6C 4s 0.025067 -0.108054 0.011842 -0.085571 -0.169745 0.030914 6C 5s 0.005473 0.041715 -0.013040 -0.007408 0.002965 -0.189738 6C 1pz -0.037353 -0.016044 0.021224 -0.041154 -0.058356 -0.065751 6C 1px 0.101586 0.065269 -0.050169 0.133335 0.174123 0.134365 6C 1py 0.018021 0.010782 -0.012267 0.023032 0.032946 0.063870 6C 2pz -0.129923 -0.251336 0.068425 -0.341796 -0.437821 -0.129971 6C 2px 0.489554 0.679887 -0.295893 1.148469 1.526434 1.124543 6C 2py 0.112118 0.039651 -0.024669 0.175560 0.240239 0.029100 6C 3pz -0.008075 0.031387 -0.056236 -0.006410 -0.038894 0.008391 6C 3px 0.063465 -0.015380 0.082975 0.162999 0.122816 -0.025115 6C 3py 0.032963 -0.047774 0.028301 -0.031805 0.018074 -0.174184 6C 1dz2 0.143447 -0.061814 -0.088911 0.063109 0.100043 0.035793 6C 1dxz -0.256065 0.168302 0.150939 -0.089683 -0.162416 -0.166436 6C 1dyz -0.038985 -0.041992 0.021582 -0.060544 -0.079090 -0.071762 6C 1dx2y2 -0.079675 -0.018966 0.037148 -0.090081 -0.121198 -0.082608 6C 1dxy -0.043751 0.204037 0.029847 0.121866 0.142666 0.181739 6C 2dz2 0.034725 0.077227 -0.027904 0.125096 0.186300 0.038284 6C 2dxz -0.002869 -0.098489 0.004513 -0.122499 -0.182181 -0.034376 6C 2dyz -0.015956 -0.100256 0.032987 -0.138893 -0.182485 -0.090245 6C 2dx2y2 0.001256 -0.192979 0.041277 -0.222460 -0.292448 -0.186470 6C 2dxy -0.009266 0.268308 -0.009038 0.320863 0.376595 0.110585 6C 1f0 -0.124094 0.210189 0.062979 0.069580 0.031785 0.019509 6C 1f+1 0.114412 -0.147078 -0.068833 -0.063253 -0.034138 -0.152344 6C 1f-1 0.096773 -0.084286 -0.058868 -0.012210 0.019093 -0.011014 6C 1f+2 0.049592 -0.160862 -0.015194 -0.092085 -0.085802 -0.017022 6C 1f-2 -0.153747 0.103024 0.089918 -0.031236 -0.089197 -0.091631 6C 1f+3 -0.241481 0.114967 0.145819 -0.122060 -0.233638 -0.141914 6C 1f-3 -0.075262 0.045407 0.038366 -0.070409 -0.114175 -0.130548 7C 1s -0.000832 0.000615 0.000157 -0.001067 0.000690 0.012004 7C 2s -0.001355 0.000954 0.000212 -0.001396 0.000700 0.018934 7C 3s 0.003516 -0.004262 0.003880 -0.036372 0.029082 -0.032896 7C 4s 0.023635 0.000052 0.002765 0.178761 -0.140286 -0.470824 7C 5s -0.086900 0.033503 0.061386 -0.038068 -0.007361 0.500396 7C 1pz 0.014720 -0.013433 -0.020590 0.061640 -0.045015 0.034281 7C 1px -0.057794 0.049584 0.052273 -0.188165 0.131585 0.143517 7C 1py -0.015485 0.007541 0.014340 -0.030482 0.022617 0.075504 7C 2pz 0.118028 -0.117246 -0.137931 0.419799 -0.288008 -0.695880 7C 2px -0.321049 0.281857 0.550841 -1.595832 1.155012 0.941273 7C 2py -0.034642 0.101506 0.052647 -0.360024 0.248737 -0.016210 7C 3pz -0.029178 0.039027 0.113210 -0.027114 -0.037852 -0.101905 7C 3px 0.070257 -0.092612 -0.023646 -0.131461 0.153596 -0.071398 7C 3py 0.024321 -0.002029 0.035914 -0.066234 0.039406 -0.144453 7C 1dz2 -0.061911 0.007345 0.087481 -0.101644 0.076676 0.162015 7C 1dxz 0.093259 0.011547 -0.159650 0.175143 -0.137713 -0.083870 7C 1dyz 0.025876 0.043271 -0.078833 -0.023769 0.005280 0.026042 7C 1dx2y2 0.051579 0.068325 -0.127164 -0.011883 -0.011145 -0.101218 7C 1dxy -0.015224 -0.148237 0.149103 0.204730 -0.112795 -0.189469 7C 2dz2 -0.050965 0.018835 0.145656 -0.279979 0.225094 0.044463 7C 2dxz 0.065210 -0.057239 -0.194265 0.376976 -0.288111 -0.183562 7C 2dyz 0.007922 0.010768 -0.023937 -0.037748 0.014373 -0.116260 7C 2dx2y2 0.006750 -0.016415 -0.021012 0.105418 -0.088077 -0.004596 7C 2dxy 0.052215 -0.051181 -0.128923 0.365428 -0.244553 -0.156553 7C 1f0 0.022398 0.104917 -0.123739 -0.149242 0.062249 0.090612 7C 1f+1 -0.030815 -0.077224 0.109907 0.144836 -0.063162 -0.038350 7C 1f-1 -0.022405 -0.064588 0.098654 0.052996 -0.005111 -0.071490 7C 1f+2 0.014117 -0.081897 0.046836 0.154618 -0.082665 -0.114806 7C 1f-2 0.043447 0.033428 -0.112257 0.016294 -0.045314 -0.033368 7C 1f+3 0.115536 0.090431 -0.268685 0.097827 -0.132122 -0.081099 7C 1f-3 0.048399 -0.027521 -0.064301 0.087265 -0.070113 -0.110496 8C 1s -0.000114 -0.000253 -0.000002 -0.000220 -0.000198 -0.000313 8C 2s -0.000053 -0.000129 -0.000134 -0.000166 0.000003 -0.000850 8C 3s -0.005851 -0.013999 0.001622 -0.014319 -0.023040 0.042959 8C 4s 0.018767 0.050809 0.020487 0.050894 0.075287 -0.254840 8C 5s 0.008769 -0.130370 0.056427 -0.109079 -0.081308 0.094989 8C 1pz -0.000156 -0.007687 0.001785 -0.004044 -0.001584 -0.005992 8C 1px 0.019392 -0.002903 -0.009183 0.007920 0.017281 0.012513 8C 1py 0.005558 -0.002925 -0.002511 0.001295 0.004373 0.006035 8C 2pz -0.000143 0.075947 -0.026688 0.038073 0.019656 0.148413 8C 2px -0.184983 0.052554 0.075179 -0.050800 -0.133154 -0.131104 8C 2py -0.084562 0.037876 0.062188 -0.025860 -0.072296 -0.189174 8C 3pz -0.021131 0.033018 0.022271 0.028530 0.030249 0.000894 8C 3px -0.072922 0.044421 0.015481 -0.089962 -0.080293 0.016894 8C 3py -0.038034 0.012641 0.026088 -0.041192 -0.014645 0.021059 8C 1dz2 0.002092 0.012695 -0.002050 0.014471 0.016094 0.005991 8C 1dxz -0.013295 -0.009859 0.007652 -0.025130 -0.034090 -0.023767 8C 1dyz -0.007126 -0.014870 0.004108 -0.019892 -0.025605 -0.002954 8C 1dx2y2 -0.011698 -0.004316 0.003391 -0.023457 -0.032022 -0.014612 8C 1dxy 0.018292 0.015329 -0.010090 0.036731 0.049883 0.021427 8C 2dz2 0.050394 -0.054570 -0.027803 0.002420 0.031974 0.006352 8C 2dxz -0.072508 -0.003757 0.044939 -0.065047 -0.125972 -0.117651 8C 2dyz 0.004480 -0.027448 -0.001527 -0.029557 -0.037110 0.001666 8C 2dx2y2 0.054497 -0.009516 -0.030038 0.026749 0.029009 0.049233 8C 2dxy -0.112393 0.095891 0.042634 0.006787 -0.026731 0.001494 8C 1f0 -0.040285 0.029109 0.025052 -0.006556 -0.019161 -0.010641 8C 1f+1 0.035425 -0.051229 -0.018500 -0.011389 -0.000903 0.004656 8C 1f-1 0.023111 -0.010410 -0.015210 0.015692 0.025396 0.002673 8C 1f+2 0.031776 0.003658 -0.022589 0.035496 0.054590 0.011545 8C 1f-2 -0.034752 0.029504 0.020064 -0.015144 -0.031212 -0.015559 8C 1f+3 -0.033296 0.060598 0.016310 0.034540 0.032458 0.024668 8C 1f-3 0.009782 0.025236 -0.008424 0.045589 0.062221 0.056331 9C 1s 0.000059 0.000080 -0.000124 0.000286 -0.000240 0.000094 9C 2s -0.000146 0.000119 -0.000010 0.000058 -0.000124 0.001263 9C 3s 0.016749 -0.002623 -0.009861 0.026496 -0.017703 -0.137859 9C 4s -0.071480 0.005910 0.041775 -0.070495 0.045219 0.694775 9C 5s 0.089663 -0.045083 -0.171924 0.185605 -0.070950 -0.358003 9C 1pz -0.000509 -0.004619 0.002505 0.007467 -0.001494 0.009393 9C 1px -0.004537 0.005501 0.003207 -0.015616 0.009903 0.011197 9C 1py 0.000321 0.005574 -0.007769 -0.005818 -0.001136 0.012571 9C 2pz 0.004854 0.048647 -0.044931 -0.121928 0.053377 -0.222380 9C 2px 0.051595 -0.045569 -0.019933 0.112448 -0.065789 -0.164448 9C 2py -0.003762 -0.056302 0.086933 0.020886 0.037876 -0.249700 9C 3pz 0.011937 0.025477 -0.007691 -0.042321 0.036189 0.035942 9C 3px -0.023675 0.014458 0.013257 0.077266 -0.082661 -0.004840 9C 3py -0.036640 -0.026644 0.074351 -0.000696 -0.026380 0.044923 9C 1dz2 -0.002753 0.009980 0.001810 -0.031589 0.020623 0.019765 9C 1dxz 0.009021 -0.006543 -0.017609 0.056043 -0.041213 -0.016218 9C 1dyz -0.003288 -0.001326 0.007206 -0.003737 0.004204 0.013097 9C 1dx2y2 -0.002107 0.005556 -0.002224 -0.003430 0.000825 0.005361 9C 1dxy 0.006725 -0.007347 -0.012692 0.041030 -0.031219 -0.014375 9C 2dz2 -0.021407 -0.038214 0.063212 0.040051 -0.013977 0.042716 9C 2dxz 0.029148 0.011331 -0.075588 0.054090 -0.055981 0.025521 9C 2dyz 0.000615 0.037470 -0.033410 -0.045013 0.012452 0.106646 9C 2dx2y2 -0.020431 0.026955 0.006550 -0.112182 0.063679 0.045763 9C 2dxy -0.011760 -0.034622 0.054725 0.045509 0.001628 -0.006179 9C 1f0 0.025855 0.001041 -0.043774 0.048536 -0.039582 -0.036381 9C 1f+1 -0.021997 -0.017029 0.051062 -0.025183 0.029763 0.019627 9C 1f-1 -0.005724 -0.014825 0.021133 0.023419 -0.010107 -0.024119 9C 1f+2 -0.019998 -0.006350 0.038794 -0.029363 0.027331 0.019739 9C 1f-2 0.000361 0.026929 -0.014328 -0.060343 0.035633 0.015609 9C 1f+3 0.007443 0.027822 -0.034428 -0.049789 0.023499 0.021036 9C 1f-3 0.008885 0.008754 -0.025917 0.011745 -0.013546 0.012704 10H 1s -0.021016 -0.009238 -0.024074 0.048486 -0.032630 0.025702 10H 2s -0.049430 -0.048761 -0.030359 0.206439 -0.134828 0.123419 10H 3s 0.034679 0.003935 0.029975 -0.023876 -0.005686 -0.073024 10H 1pz -0.011988 -0.020249 -0.001309 0.065715 -0.040153 0.049354 10H 1px 0.017713 0.006329 0.021316 -0.047877 0.033808 -0.022738 10H 1py -0.007081 -0.008905 -0.005540 0.028668 -0.022475 0.026077 11H 1s -0.003479 0.004345 -0.003817 -0.005738 0.006364 0.015410 11H 2s 0.033202 -0.025542 0.090146 0.002300 0.031248 0.018895 11H 3s 0.019067 -0.015029 0.027932 -0.047257 0.009626 -0.064421 11H 1pz 0.012448 -0.018147 0.037334 0.006775 0.007888 0.014890 11H 1px 0.002680 0.002154 0.007158 -0.010270 0.008131 0.007734 11H 1py 0.007524 -0.007901 0.013536 -0.003194 0.003312 -0.005739 12H 1s 0.009252 0.002056 0.010392 -0.014320 0.007191 -0.006117 12H 2s 0.000602 0.079497 -0.067749 -0.115133 0.027564 -0.099955 12H 3s -0.014210 0.023595 -0.012084 -0.021151 0.048914 -0.027575 12H 1pz -0.014858 0.027128 -0.039654 -0.020403 0.005103 -0.002911 12H 1px 0.002497 0.008679 -0.001027 -0.020412 0.009508 -0.004736 12H 1py -0.001499 0.028472 -0.023086 -0.036362 0.011246 -0.024660 13H 1s 0.008682 -0.030951 0.008727 -0.028521 -0.038735 0.025644 13H 2s 0.117027 -0.032751 0.059308 -0.116770 -0.188682 0.189591 13H 3s 0.015318 0.035465 -0.004390 -0.016867 0.012251 -0.036100 13H 1pz 0.029510 -0.016471 0.015955 -0.037748 -0.052605 0.045745 13H 1px -0.002131 0.022157 -0.002567 0.017669 0.027048 -0.025726 13H 1py -0.048720 -0.006145 -0.023659 0.030166 0.052362 -0.029978 14H 1s 0.001098 0.008987 0.003587 0.010736 0.018929 -0.032174 14H 2s -0.137891 -0.062348 -0.060807 0.051364 0.137536 -0.107225 14H 3s -0.028476 -0.008054 -0.028074 0.049917 0.012392 0.051231 14H 1pz -0.036265 -0.021741 -0.015948 0.013180 0.030191 -0.025352 14H 1px -0.030903 -0.007298 -0.012555 0.019223 0.040344 -0.036455 14H 1py 0.053294 0.037545 0.027127 -0.010322 -0.026630 0.017702 15H 1s -0.006712 -0.002817 -0.004087 0.003862 0.002777 -0.012629 15H 2s 0.052173 0.072155 0.013814 0.017129 -0.014552 -0.006185 15H 3s 0.013395 0.025404 0.004431 0.007478 0.035145 0.036131 15H 1pz 0.011122 0.009044 0.006020 -0.001462 -0.002329 0.004175 15H 1px -0.004075 0.004259 -0.001766 0.005569 0.011051 -0.013026 15H 1py -0.025491 -0.030277 -0.008479 -0.002416 0.009732 -0.002646 16H 1s 0.010104 0.001863 0.010351 -0.003783 0.025315 -0.012068 16H 2s 0.029426 -0.028118 -0.032662 -0.013578 0.017687 -0.065749 16H 3s -0.001853 0.002363 0.003049 -0.013673 0.007470 0.000457 16H 1pz 0.017305 -0.002184 -0.001645 -0.004102 0.021527 -0.024754 16H 1px -0.005527 -0.008196 -0.003805 -0.009624 0.010966 0.016284 16H 1py 0.002694 -0.006285 0.004971 -0.001002 0.009604 0.010042 17H 1s 0.000336 -0.003032 0.007375 0.012767 -0.026338 0.016120 17H 2s 0.015015 0.005989 -0.035315 -0.000154 0.014231 -0.047148 17H 3s -0.009555 -0.000755 0.001514 -0.010707 -0.009515 0.007795 17H 1pz -0.000223 0.003243 0.007698 -0.001766 0.013785 -0.008747 17H 1px -0.002677 0.004055 -0.007137 -0.017742 -0.003139 0.001099 17H 1py -0.002692 0.007368 0.001884 0.007101 -0.010545 0.023830 18H 1s -0.000109 -0.002861 0.006882 0.013425 -0.027113 -0.016354 18H 2s -0.016567 0.007502 -0.034952 -0.000836 0.016295 0.045661 18H 3s 0.009696 -0.000679 0.001569 -0.010414 -0.009293 -0.008335 18H 1pz -0.000630 -0.002726 -0.007965 0.002224 -0.013918 -0.009549 18H 1px -0.002384 -0.003796 0.006966 0.017697 0.003712 0.000229 18H 1py -0.002948 -0.007571 -0.001968 -0.007237 0.010324 0.024077 19H 1s -0.009425 0.002040 0.010745 -0.004177 0.024508 0.012907 19H 2s -0.031503 -0.027175 -0.031935 -0.013411 0.019887 0.066793 19H 3s 0.001724 0.002299 0.003029 -0.013778 0.007683 -0.000094 19H 1pz 0.017173 0.001631 0.000910 0.004005 -0.021741 -0.025852 19H 1px -0.005401 0.008081 0.004353 0.009765 -0.010408 0.016609 19H 1py 0.002919 0.006617 -0.004939 0.001349 -0.010236 0.008820 20H 1s 0.006664 -0.002897 -0.004468 0.003994 0.002838 0.012458 20H 2s -0.051291 0.075543 0.015833 0.018125 -0.014761 0.006724 20H 3s -0.012773 0.026628 0.005225 0.007654 0.036005 -0.035941 20H 1pz 0.010867 -0.009507 -0.006655 0.001492 0.002268 0.004062 20H 1px -0.003873 -0.004725 0.001845 -0.005612 -0.010854 -0.013236 20H 1py -0.025076 0.031678 0.009664 0.002724 -0.009775 -0.002708 21H 1s -0.000585 0.009302 0.003610 0.010281 0.018554 0.031894 21H 2s 0.134304 -0.063991 -0.066525 0.049373 0.135213 0.106932 21H 3s 0.027003 -0.008651 -0.029413 0.050481 0.012783 -0.050440 21H 1pz -0.035324 0.022446 0.017429 -0.012664 -0.029790 -0.025327 21H 1px -0.030260 0.007449 0.013802 -0.018617 -0.039525 -0.036178 21H 1py 0.051213 -0.038493 -0.029118 0.010062 0.026125 0.017559 22H 1s -0.009428 -0.031672 0.009511 -0.028699 -0.038628 -0.026637 22H 2s -0.115237 -0.035357 0.064162 -0.116891 -0.186838 -0.192213 22H 3s -0.014230 0.036693 -0.004823 -0.016311 0.012059 0.037117 22H 1pz 0.029040 0.017202 -0.017120 0.037622 0.051836 0.046332 22H 1px -0.003011 -0.022660 0.003022 -0.017903 -0.027150 -0.026545 22H 1py -0.047349 0.005587 0.025446 -0.030251 -0.051968 -0.030695 23H 1s -0.008613 0.001827 0.010758 -0.013765 0.006833 0.005273 23H 2s -0.001369 0.075614 -0.070248 -0.112380 0.025153 0.096416 23H 3s 0.014064 0.022808 -0.012537 -0.022450 0.049418 0.029480 23H 1pz -0.013686 -0.025422 0.040757 0.019896 -0.004691 -0.002771 23H 1px 0.002279 -0.007913 0.000877 0.019639 -0.009204 -0.004079 23H 1py -0.001318 -0.027197 0.024124 0.035439 -0.010363 -0.023453 24H 1s 0.003462 0.004040 -0.004064 -0.005897 0.006544 -0.015214 24H 2s -0.030682 -0.024282 0.095299 0.001203 0.033158 -0.015226 24H 3s -0.018717 -0.014777 0.029701 -0.048525 0.009791 0.063838 24H 1pz 0.011540 0.017606 -0.039492 -0.006422 -0.008475 0.014057 24H 1px 0.002412 -0.001971 -0.007821 0.010285 -0.008454 0.007439 24H 1py 0.007416 0.007884 -0.014876 0.003113 -0.003407 -0.005313 25H 1s 0.019690 -0.009274 -0.024554 0.048890 -0.032638 -0.026396 25H 2s 0.047861 -0.044839 -0.033654 0.206626 -0.134720 -0.125162 25H 3s -0.033091 0.005759 0.030180 -0.024156 -0.005009 0.074457 25H 1pz -0.011937 0.018524 0.002598 -0.066038 0.040304 0.049755 25H 1px 0.016569 -0.006259 -0.021750 0.048048 -0.033751 -0.023368 25H 1py -0.006726 0.007980 0.006290 -0.028114 0.022117 0.026185 26O 1s 0.001159 0.000876 0.002265 -0.008317 0.006473 -0.005068 26O 2s 0.005325 0.004098 0.008509 -0.030678 0.023459 -0.021241 26O 3s -0.088884 -0.069288 -0.119682 0.422805 -0.316708 0.323821 26O 4s 0.272567 0.203259 0.352753 -1.180148 0.873984 -0.880130 26O 5s 0.049677 0.110042 0.247817 -0.667973 0.486191 -0.158003 26O 1pz 0.004986 0.031587 -0.026604 0.001726 -0.001984 -0.054158 26O 1px 0.016811 0.037219 0.019646 -0.109424 0.080439 -0.086877 26O 1py 0.033949 -0.016672 0.054253 -0.037099 0.014779 -0.047621 26O 2pz -0.028556 -0.128883 0.061496 0.129031 -0.079211 0.188120 26O 2px -0.141957 -0.201703 -0.179903 0.733108 -0.523327 0.507794 26O 2py -0.161447 0.022309 -0.270471 0.323342 -0.216609 0.239289 26O 3pz 0.021552 0.096122 0.061150 -0.011181 0.029811 -0.000873 26O 3px -0.058960 0.016942 -0.078272 0.341896 -0.246093 0.193052 26O 3py 0.026055 0.000725 0.043024 0.060985 -0.170940 0.105976 26O 1dz2 -0.025488 -0.041850 0.038975 -0.043996 -0.000335 0.120318 26O 1dxz -0.000023 0.064992 -0.132729 -0.003957 -0.059244 -0.157135 26O 1dyz -0.037432 0.056174 -0.014171 -0.164027 0.135876 0.070808 26O 1dx2y2 -0.045545 0.088566 -0.112623 -0.148329 0.030621 -0.031522 26O 1dxy 0.088660 -0.092672 0.208462 -0.033084 0.080257 -0.054814 26O 2dz2 -0.019740 -0.008922 -0.048884 0.137495 -0.079664 0.046572 26O 2dxz 0.008099 0.041194 0.018437 -0.127608 0.101733 -0.042675 26O 2dyz 0.023622 0.004854 -0.002444 -0.003462 -0.012700 -0.088425 26O 2dx2y2 0.023005 0.049778 -0.002032 -0.080150 0.065090 -0.118489 26O 2dxy 0.052841 0.023720 0.070029 -0.158534 0.116874 -0.131943 26O 1f0 -0.036361 0.091358 -0.127106 -0.155271 0.041480 -0.116426 26O 1f+1 0.022754 0.039155 -0.011414 -0.136480 0.068476 -0.077099 26O 1f-1 0.027789 -0.041898 0.118981 -0.109478 0.098157 0.038769 26O 1f+2 0.012146 -0.082878 0.041030 0.123679 -0.106307 0.072377 26O 1f-2 0.010404 -0.075605 0.084149 0.073024 -0.037765 0.173260 26O 1f+3 -0.088352 0.200311 -0.284946 -0.087168 -0.006706 -0.061114 26O 1f-3 0.129770 -0.037370 0.206592 -0.113432 0.131200 -0.216321 27O 1s -0.001628 0.003428 -0.000331 0.006405 0.008024 -0.004072 27O 2s -0.006862 0.012562 -0.002254 0.023172 0.029438 -0.016172 27O 3s 0.103193 -0.174018 0.046629 -0.312112 -0.403451 0.245721 27O 4s -0.251775 0.512000 -0.148504 0.856865 1.123709 -0.707317 27O 5s -0.171223 0.310240 -0.115316 0.474420 0.601837 -0.459661 27O 1pz 0.038438 0.036176 0.018109 -0.028486 -0.021250 0.029230 27O 1px -0.038896 0.057820 -0.016974 0.078277 0.103787 -0.034257 27O 1py 0.048541 0.028212 0.032057 -0.012807 -0.013137 0.026747 27O 2pz -0.133120 -0.153174 -0.062651 0.056685 0.053036 -0.092105 27O 2px 0.207509 -0.387298 0.122429 -0.548846 -0.723160 0.386581 27O 2py -0.216579 -0.036019 -0.134491 0.157226 0.213967 -0.198127 27O 3pz 0.034643 0.078223 -0.006098 -0.034277 0.088675 -0.003346 27O 3px 0.045624 -0.119188 0.017105 -0.263801 -0.329730 0.373919 27O 3py 0.018138 -0.024852 0.083697 -0.025138 0.049878 0.035092 27O 1dz2 -0.067170 -0.114716 -0.043823 -0.039003 -0.085352 0.033676 27O 1dxz 0.235122 0.187945 0.098011 -0.012093 -0.127209 0.040264 27O 1dyz 0.021633 -0.104915 -0.009893 -0.152366 -0.141210 -0.031782 27O 1dx2y2 0.010511 0.057324 -0.006527 0.050543 0.007575 -0.035811 27O 1dxy 0.155401 0.129024 0.083063 -0.032848 -0.104831 0.103953 27O 2dz2 0.051132 -0.035170 0.031714 -0.086583 -0.087311 0.081894 27O 2dxz 0.012188 0.052177 0.009896 0.021664 0.037275 0.024083 27O 2dyz -0.029811 0.015744 -0.004174 0.058086 0.057220 0.013739 27O 2dx2y2 -0.041057 0.092273 -0.018613 0.106587 0.157820 -0.076157 27O 2dxy 0.072551 -0.034267 0.037443 -0.108738 -0.146479 0.105543 27O 1f0 0.197397 0.185254 0.093012 -0.021588 -0.091392 0.090611 27O 1f+1 0.062650 0.147667 0.036232 0.096254 0.068774 -0.123432 27O 1f-1 0.015634 -0.016283 0.008286 -0.070927 -0.030149 0.056397 27O 1f+2 -0.226648 -0.268275 -0.123607 -0.048387 0.004334 -0.114486 27O 1f-2 0.048364 0.053085 0.029597 -0.058696 -0.073296 0.091145 27O 1f+3 0.037506 0.162194 0.015340 0.082699 0.091736 -0.042577 27O 1f-3 0.292878 0.129770 0.137519 -0.137880 -0.263993 0.102877 28O 1s -0.001004 -0.000555 -0.002426 0.007683 -0.006071 0.003156 28O 2s -0.004609 -0.003008 -0.008887 0.028134 -0.021730 0.012052 28O 3s 0.078691 0.055443 0.121881 -0.379865 0.286044 -0.181607 28O 4s -0.244951 -0.165554 -0.355334 1.018246 -0.754436 0.537452 28O 5s -0.081160 -0.124429 -0.178371 0.499687 -0.374660 0.488541 28O 1pz -0.008322 -0.036475 0.001014 0.053214 -0.040061 -0.016464 28O 1px 0.017760 0.006847 0.041939 -0.087027 0.061351 -0.015256 28O 1py -0.022941 0.014251 -0.034360 -0.003700 0.016918 -0.007547 28O 2pz 0.096597 0.178875 0.087421 -0.463236 0.328011 -0.158266 28O 2px -0.134332 -0.075280 -0.233071 0.512248 -0.369921 0.223234 28O 2py 0.097325 -0.034061 0.156642 -0.056246 0.017433 -0.040993 28O 3pz 0.033064 -0.077986 0.041780 -0.151465 0.083919 -0.204065 28O 3px -0.066332 -0.057115 -0.091623 0.235296 -0.207432 0.365151 28O 3py -0.046140 0.006706 -0.048634 0.057659 0.068832 0.036078 28O 1dz2 0.013778 -0.017891 0.053778 0.084574 0.010677 0.023620 28O 1dxz 0.009661 0.074240 -0.071886 -0.070907 0.041623 -0.058973 28O 1dyz -0.026001 0.023586 -0.129750 0.111508 -0.146577 0.044769 28O 1dx2y2 -0.034439 0.051729 -0.127070 0.075158 -0.051051 0.018735 28O 1dxy 0.087254 -0.088096 0.139404 0.151173 -0.060238 0.006758 28O 2dz2 -0.006576 -0.033515 0.003778 0.065109 -0.065596 0.027478 28O 2dxz 0.043555 0.038324 0.066288 -0.194379 0.131490 -0.081679 28O 2dyz -0.029313 -0.001447 -0.016081 0.004555 0.011517 0.036206 28O 2dx2y2 -0.023145 -0.025420 -0.008574 0.038980 -0.039190 0.032677 28O 2dxy 0.013049 0.009086 0.045142 -0.093306 0.071112 -0.031543 28O 1f0 -0.027073 -0.028828 0.005047 0.058257 0.002230 0.116655 28O 1f+1 0.041330 -0.135602 0.142277 0.251141 -0.118785 0.009548 28O 1f-1 0.021719 -0.000043 0.011637 0.055642 -0.033495 0.055678 28O 1f+2 0.056996 0.035987 0.062873 -0.148048 0.139975 -0.099714 28O 1f-2 -0.077276 0.079136 -0.210727 0.046913 -0.071795 -0.024360 28O 1f+3 0.053827 -0.029643 0.068236 -0.001320 0.008186 -0.046189 28O 1f-3 -0.096951 0.105345 -0.236703 -0.003093 -0.065300 0.003679 29O 1s 0.000613 -0.000181 -0.000700 -0.000243 0.000094 -0.003412 29O 2s 0.001496 -0.000493 -0.002094 -0.000779 0.000223 -0.010096 29O 3s -0.011494 0.004251 0.021971 0.010160 -0.000520 0.109988 29O 4s 0.048503 -0.013207 -0.058082 -0.028123 0.004750 -0.365753 29O 5s -0.163145 0.039941 0.112887 0.037928 -0.050782 0.805956 29O 1pz -0.003475 -0.000968 0.000203 0.004490 -0.011626 0.007752 29O 1px 0.001452 -0.002069 -0.001868 0.001928 -0.004281 0.008037 29O 1py -0.003559 0.001026 -0.002137 0.002695 0.001301 0.010631 29O 2pz 0.019355 0.000498 -0.002408 -0.019636 0.044741 -0.042293 29O 2px -0.002305 0.006614 0.006903 -0.011922 0.012672 -0.021818 29O 2py 0.015484 -0.003472 0.007301 0.001212 -0.000143 -0.027392 29O 3pz -0.024282 -0.027368 0.013271 -0.010474 0.018879 0.118660 29O 3px 0.071623 -0.015942 -0.009930 0.018246 0.018119 -0.269302 29O 3py 0.014979 -0.016957 -0.044797 -0.035658 0.007246 -0.050972 29O 1dz2 -0.022145 -0.009148 -0.008026 -0.002165 -0.005387 0.023352 29O 1dxz -0.011045 0.026256 0.001127 0.001790 -0.012984 0.002863 29O 1dyz -0.010196 0.011781 -0.013321 -0.006214 -0.028690 0.005687 29O 1dx2y2 0.006193 0.006631 -0.018477 -0.024852 0.000378 0.033055 29O 1dxy 0.010044 0.009751 0.031763 0.038746 -0.006167 0.010288 29O 2dz2 0.006207 0.006261 0.000710 0.000341 -0.007573 -0.011263 29O 2dxz 0.010045 -0.015549 -0.002845 -0.007353 0.012830 -0.020456 29O 2dyz -0.001993 -0.005031 0.006918 0.009922 -0.002261 0.011792 29O 2dx2y2 -0.007150 -0.004680 0.009071 0.011485 0.001998 -0.005172 29O 2dxy -0.005362 -0.004424 -0.015748 -0.009801 -0.000932 0.002495 29O 1f0 -0.000123 -0.004600 0.005107 0.001151 0.001338 0.016891 29O 1f+1 0.005784 0.007786 -0.004101 0.000679 -0.012539 -0.018844 29O 1f-1 0.014416 0.001387 0.009335 0.006135 0.019824 -0.025207 29O 1f+2 0.002305 -0.012516 0.002656 0.005488 0.006755 -0.015681 29O 1f-2 0.006381 0.003835 0.005088 0.018301 -0.026527 -0.004878 29O 1f+3 0.005146 0.009301 -0.002288 -0.004136 -0.000911 -0.013047 29O 1f-3 0.005357 -0.001081 0.008502 0.003271 0.015234 -0.013067 30O 1s 0.001539 -0.002956 0.000400 -0.005910 -0.007487 0.004463 30O 2s 0.006684 -0.010640 0.002482 -0.021346 -0.027432 0.018409 30O 3s -0.103810 0.141448 -0.048433 0.283980 0.370602 -0.276737 30O 4s 0.245698 -0.407584 0.136645 -0.759932 -0.992831 0.735812 30O 5s 0.212303 -0.237730 0.070805 -0.393640 -0.521639 0.149330 30O 1pz -0.013730 -0.046362 -0.010867 -0.016020 -0.039598 0.063619 30O 1px -0.036365 0.028887 -0.015701 0.065324 0.083016 -0.032622 30O 1py -0.059928 -0.007133 -0.039028 0.032675 0.039476 -0.039071 30O 2pz 0.004411 0.252264 0.007376 0.215882 0.317543 -0.321853 30O 2px 0.172772 -0.178092 0.093442 -0.355646 -0.467686 0.254305 30O 2py 0.280293 -0.068467 0.171960 -0.281731 -0.378666 0.238555 30O 3pz -0.070098 -0.002845 0.015720 0.168887 0.061323 -0.069383 30O 3px 0.036383 -0.126471 0.005784 -0.172396 -0.246998 0.184271 30O 3py -0.013926 -0.021800 -0.105252 -0.045403 -0.105911 0.168778 30O 1dz2 -0.155761 -0.053859 -0.055836 0.039283 0.158763 0.072385 30O 1dxz 0.174460 0.166906 0.087902 0.013048 -0.018466 -0.070404 30O 1dyz -0.050905 0.063584 -0.018114 0.149281 0.158131 -0.027300 30O 1dx2y2 0.045388 -0.005921 0.014867 -0.052035 -0.026611 -0.034290 30O 1dxy 0.144420 0.145602 0.095144 0.032361 -0.014478 0.126900 30O 2dz2 -0.029648 -0.032997 -0.030700 -0.004969 -0.026878 -0.010080 30O 2dxz -0.051718 0.042953 -0.023915 0.089170 0.109344 -0.095861 30O 2dyz -0.027341 0.033692 -0.017924 0.049831 0.082797 -0.133328 30O 2dx2y2 -0.031107 0.003903 -0.014989 0.041211 0.035002 0.012002 30O 2dxy 0.082417 -0.058474 0.036373 -0.124602 -0.169392 0.058341 30O 1f0 0.047731 -0.019625 0.038447 -0.021212 -0.027729 0.104726 30O 1f+1 -0.286405 -0.265639 -0.153505 -0.039284 0.051512 0.053480 30O 1f-1 -0.067416 -0.045469 -0.060321 0.014344 -0.019899 0.141781 30O 1f+2 0.129869 0.135676 0.070469 0.019235 -0.006263 0.041600 30O 1f-2 -0.058810 0.103848 -0.023426 0.159167 0.180022 -0.173236 30O 1f+3 0.146317 0.027131 0.072581 -0.105528 -0.178732 0.028190 30O 1f-3 -0.193579 -0.116289 -0.099226 0.061630 0.155047 -0.123931 31O 1s -0.001632 -0.002991 0.000485 -0.005887 -0.007427 -0.004519 31O 2s -0.006967 -0.010797 0.002840 -0.021247 -0.027190 -0.018616 31O 3s 0.106815 0.143993 -0.053939 0.282363 0.366911 0.279569 31O 4s -0.254322 -0.414856 0.150661 -0.754980 -0.982533 -0.743332 31O 5s -0.216945 -0.238223 0.079069 -0.390306 -0.515530 -0.156796 31O 1pz -0.011842 0.047805 0.011244 0.015706 0.039455 0.063871 31O 1px -0.036856 -0.028999 0.017220 -0.065138 -0.082376 -0.033208 31O 1py -0.058025 0.007100 0.041372 -0.032438 -0.038609 -0.039151 31O 2pz -0.003944 -0.258676 -0.006177 -0.213808 -0.315101 -0.324441 31O 2px 0.175480 0.180025 -0.101505 0.353790 0.463208 0.258047 31O 2py 0.275399 0.069844 -0.183637 0.279677 0.373282 0.240718 31O 3pz -0.070611 0.003958 -0.011680 -0.168157 -0.058863 -0.072260 31O 3px 0.040287 0.128457 -0.008502 0.170384 0.243815 0.187099 31O 3py -0.008507 0.022521 0.105117 0.044419 0.104218 0.171279 31O 1dz2 0.152393 -0.056804 -0.061143 0.039399 0.157920 -0.071698 31O 1dxz -0.166579 0.171809 0.093720 0.013195 -0.018119 0.071115 31O 1dyz 0.052791 0.063527 -0.020247 0.148973 0.157407 0.028710 31O 1dx2y2 -0.045449 -0.004806 0.016415 -0.052058 -0.026657 0.033969 31O 1dxy -0.136354 0.147338 0.100962 0.033306 -0.012748 -0.126410 31O 2dz2 0.027123 -0.033377 -0.031908 -0.005063 -0.027496 0.009758 31O 2dxz 0.052330 0.043825 -0.026273 0.088482 0.108179 0.096804 31O 2dyz 0.027612 0.035352 -0.019652 0.049076 0.081471 0.133913 31O 2dx2y2 0.030664 0.003529 -0.016113 0.041180 0.034729 -0.011841 31O 2dxy -0.082862 -0.059069 0.039795 -0.124142 -0.167734 -0.059634 31O 1f0 0.046102 0.021516 -0.040775 0.020940 0.026118 0.104885 31O 1f+1 -0.272797 0.272313 0.163583 0.039594 -0.049897 0.054382 31O 1f-1 -0.062737 0.047421 0.062461 -0.014900 0.020769 0.142204 31O 1f+2 0.123273 -0.138726 -0.074930 -0.019511 0.005636 0.041195 31O 1f-2 -0.061247 -0.106512 0.026489 -0.158475 -0.178324 -0.174714 31O 1f+3 0.142998 -0.028899 -0.077899 0.105280 0.177280 0.028917 31O 1f-3 -0.187277 0.118491 0.107199 -0.060472 -0.153259 -0.124272 32O 1s -0.000651 -0.000154 -0.000697 -0.000267 0.000095 0.003402 32O 2s -0.001612 -0.000422 -0.002092 -0.000851 0.000224 0.010061 32O 3s 0.012712 0.003667 0.022076 0.010975 -0.000321 -0.109541 32O 4s -0.051727 -0.010975 -0.058396 -0.030507 0.003183 0.364731 32O 5s 0.169283 0.032816 0.112373 0.041826 -0.048511 -0.805419 32O 1pz -0.003310 0.001027 -0.000002 -0.004703 0.011621 0.007974 32O 1px 0.001615 0.001967 0.001940 -0.001998 0.004326 0.008009 32O 1py -0.003524 -0.000920 0.002192 -0.002762 -0.001235 0.010782 32O 2pz 0.018820 -0.000716 0.001215 0.020377 -0.044805 -0.043987 32O 2px -0.002941 -0.006229 -0.007279 0.012145 -0.012429 -0.022019 32O 2py 0.015527 0.002990 -0.007606 -0.000900 -0.000782 -0.028343 32O 3pz -0.024357 0.028396 -0.013069 0.009273 -0.019545 0.118779 32O 3px 0.072224 0.013594 0.009535 -0.017203 -0.016032 -0.269481 32O 3py 0.017585 0.016228 0.044839 0.036115 -0.008363 -0.050466 32O 1dz2 0.021040 -0.010125 -0.008434 -0.002138 -0.004436 -0.023021 32O 1dxz 0.011650 0.025566 0.001004 0.000894 -0.012795 -0.003292 32O 1dyz 0.010522 0.012031 -0.014133 -0.006693 -0.029160 -0.008769 32O 1dx2y2 -0.007010 0.006428 -0.018332 -0.025172 0.001116 -0.032983 32O 1dxy -0.008438 0.010269 0.031956 0.038661 -0.005804 -0.010484 32O 2dz2 -0.006130 0.006712 0.000569 -0.000004 -0.007531 0.011260 32O 2dxz -0.010552 -0.015177 -0.002593 -0.007333 0.012895 0.021273 32O 2dyz 0.001998 -0.005158 0.006652 0.010194 -0.002371 -0.011222 32O 2dx2y2 0.007378 -0.004747 0.009028 0.011451 0.002214 0.005604 32O 2dxy 0.004518 -0.004598 -0.016031 -0.009845 -0.000678 -0.002327 32O 1f0 -0.000967 0.004671 -0.004310 -0.000874 0.000281 0.017512 32O 1f+1 0.005584 -0.007726 0.003928 -0.000217 0.011482 -0.018842 32O 1f-1 0.013972 -0.001138 -0.010116 -0.006231 -0.019394 -0.025375 32O 1f+2 0.001950 0.012759 -0.002068 -0.004813 -0.007117 -0.014871 32O 1f-2 0.006198 -0.003907 -0.004831 -0.018863 0.027181 -0.005045 32O 1f+3 0.005094 -0.009405 0.001977 0.003777 0.002217 -0.013034 32O 1f-3 0.005061 0.000618 -0.008680 -0.002856 -0.015183 -0.013173 33O 1s 0.000865 -0.000505 -0.002462 0.007678 -0.006031 -0.003163 33O 2s 0.004086 -0.002790 -0.009051 0.028107 -0.021572 -0.012080 33O 3s -0.071332 0.052105 0.124627 -0.379381 0.283705 0.181929 33O 4s 0.223240 -0.158049 -0.363147 1.016715 -0.747973 -0.537957 33O 5s 0.068940 -0.118203 -0.181382 0.500131 -0.370410 -0.486646 33O 1pz -0.007380 0.034491 -0.001220 -0.052627 0.039449 -0.016535 33O 1px 0.015692 -0.006155 -0.043024 0.086954 -0.061187 -0.015475 33O 1py -0.022115 -0.013442 0.036002 0.003566 -0.016737 -0.007278 33O 2pz 0.087404 -0.169598 -0.088878 0.460931 -0.324329 -0.157472 33O 2px -0.121667 0.071666 0.239091 -0.512077 0.368008 0.224288 33O 2py 0.092287 0.031673 -0.163453 0.057184 -0.018133 -0.042404 33O 3pz 0.032684 0.077440 -0.042861 0.151417 -0.080943 -0.202463 33O 3px -0.059901 0.055762 0.092883 -0.236171 0.204636 0.364566 33O 3py -0.044605 -0.005424 0.051426 -0.057755 -0.067971 0.035855 33O 1dz2 -0.012007 -0.015935 0.056076 0.084365 0.011447 -0.022595 33O 1dxz -0.010729 0.070993 -0.074619 -0.070172 0.039987 0.058472 33O 1dyz 0.020390 0.022200 -0.132855 0.112376 -0.147262 -0.045625 33O 1dx2y2 0.030351 0.049967 -0.131280 0.076091 -0.051897 -0.019540 33O 1dxy -0.084010 -0.081735 0.145592 0.149874 -0.059481 -0.005038 33O 2dz2 0.005451 -0.031508 0.004250 0.064330 -0.064644 -0.026930 33O 2dxz -0.039556 0.035741 0.068227 -0.194151 0.130520 0.081746 33O 2dyz 0.028991 -0.001818 -0.017360 0.004829 0.011726 -0.036594 33O 2dx2y2 0.022077 -0.024448 -0.008944 0.038689 -0.038540 -0.032793 33O 2dxy -0.010899 0.008447 0.046359 -0.093528 0.071267 0.031977 33O 1f0 -0.027576 0.028382 -0.004206 -0.059179 -0.001938 0.117385 33O 1f+1 0.039236 0.126958 -0.148676 -0.249313 0.116154 0.007765 33O 1f-1 0.021914 0.000131 -0.012984 -0.055836 0.033865 0.055083 33O 1f+2 0.052813 -0.033841 -0.064752 0.148380 -0.139209 -0.100055 33O 1f-2 -0.070561 -0.074766 0.217414 -0.048125 0.072725 -0.022284 33O 1f+3 0.051744 0.028834 -0.071646 0.001708 -0.008177 -0.046670 33O 1f-3 -0.089369 -0.099078 0.244764 0.001705 0.066630 0.005597 34O 1s 0.001741 0.003475 -0.000423 0.006388 0.007974 0.004151 34O 2s 0.007229 0.012771 -0.002637 0.023098 0.029230 0.016451 34O 3s -0.107538 -0.177519 0.052433 -0.310946 -0.400312 -0.249366 34O 4s 0.264287 0.522806 -0.163692 0.853832 1.115433 0.717423 34O 5s 0.178407 0.313816 -0.123702 0.473736 0.596627 0.462220 34O 1pz 0.037084 -0.037425 -0.019529 0.028352 0.021244 0.029380 34O 1px -0.040074 -0.058988 0.018821 -0.078004 -0.102984 -0.035056 34O 1py 0.046516 -0.028382 -0.034117 0.012513 0.012728 0.026723 34O 2pz -0.127752 0.157723 0.067651 -0.056163 -0.053230 -0.092385 34O 2px 0.215670 0.395364 -0.133411 0.546942 0.717552 0.392154 34O 2py -0.211120 0.035606 0.143924 -0.155914 -0.211668 -0.199287 34O 3pz 0.032046 -0.080278 0.005469 0.034205 -0.088557 -0.002940 34O 3px 0.049856 0.121693 -0.020764 0.262903 0.325523 0.376762 34O 3py 0.014943 0.024811 -0.084529 0.024596 -0.049754 0.034147 34O 1dz2 0.061748 -0.116980 -0.045785 -0.038977 -0.085326 -0.034468 34O 1dxz -0.227525 0.193333 0.106406 -0.011369 -0.126772 -0.040327 34O 1dyz -0.025198 -0.104811 -0.010003 -0.152895 -0.141098 0.030579 34O 1dx2y2 -0.010007 0.059493 -0.006397 0.050337 0.006433 0.036053 34O 1dxy -0.149371 0.131419 0.089507 -0.031850 -0.103605 -0.104070 34O 2dz2 -0.050875 -0.036465 0.034123 -0.086124 -0.086124 -0.082609 34O 2dxz -0.010523 0.052950 0.010450 0.021820 0.037038 -0.023770 34O 2dyz 0.030454 0.014979 -0.004873 0.058245 0.057360 -0.013292 34O 2dx2y2 0.043292 0.094264 -0.020872 0.106207 0.156497 0.077335 34O 2dxy -0.072597 -0.035147 0.040840 -0.108161 -0.145312 -0.106606 34O 1f0 0.189800 -0.189820 -0.100217 0.020838 0.090920 0.090558 34O 1f+1 0.057394 -0.152748 -0.037650 -0.095651 -0.067841 -0.124434 34O 1f-1 0.016010 0.016757 -0.009113 0.070496 0.029885 0.056790 34O 1f+2 -0.214954 0.272965 0.132410 0.049596 -0.003391 -0.113647 34O 1f-2 0.047208 -0.055045 -0.031656 0.058258 0.073679 0.091487 34O 1f+3 0.033353 -0.166409 -0.016297 -0.082759 -0.090284 -0.043596 34O 1f-3 0.285113 -0.133167 -0.149382 0.136428 0.261330 0.103824 35O 1s -0.001024 0.000810 0.002306 -0.008334 0.006445 0.005078 35O 2s -0.004809 0.003823 0.008709 -0.030747 0.023354 0.021291 35O 3s 0.081553 -0.065052 -0.123003 0.423853 -0.315261 -0.324871 35O 4s -0.251113 0.192601 0.362114 -1.183478 0.870482 0.884303 35O 5s -0.036473 0.101261 0.249814 -0.668326 0.484123 0.165346 35O 1pz 0.005487 -0.030448 0.026876 -0.001663 0.002044 -0.054191 35O 1px 0.014951 -0.035173 -0.020295 0.109547 -0.080150 -0.087005 35O 1py 0.032057 0.016338 -0.056480 0.037521 -0.015025 -0.047961 35O 2pz -0.028394 0.123347 -0.062101 -0.128918 0.078428 0.188555 35O 2px -0.128754 0.191176 0.184648 -0.734095 0.521143 0.510390 35O 2py -0.150203 -0.022759 0.280031 -0.325325 0.217068 0.241753 35O 3pz 0.016486 -0.095655 -0.062037 0.010493 -0.029820 -0.002204 35O 3px -0.055513 -0.018629 0.078431 -0.342879 0.244337 0.195446 35O 3py 0.024926 -0.003025 -0.045329 -0.061349 0.169735 0.106575 35O 1dz2 0.025984 -0.040855 0.039354 -0.044232 0.000250 -0.120000 35O 1dxz -0.004447 0.063013 -0.136249 -0.004372 -0.060082 0.156583 35O 1dyz 0.038897 0.052713 -0.016861 -0.162888 0.134925 -0.071252 35O 1dx2y2 0.042546 0.083275 -0.116900 -0.147658 0.029686 0.031011 35O 1dxy -0.081536 -0.088041 0.215467 -0.034406 0.080903 0.056156 35O 2dz2 0.017420 -0.007464 -0.050244 0.137891 -0.079555 -0.047154 35O 2dxz -0.006166 0.038838 0.018656 -0.127291 0.101206 0.042830 35O 2dyz -0.023856 0.004900 -0.001687 -0.004017 -0.012752 0.088617 35O 2dx2y2 -0.021929 0.047635 -0.001744 -0.080052 0.064425 0.118743 35O 2dxy -0.049160 0.021827 0.072505 -0.159103 0.116507 0.132762 35O 1f0 -0.033288 -0.086145 0.132003 0.154864 -0.040344 -0.115359 35O 1f+1 0.022037 -0.035935 0.011733 0.136210 -0.067319 -0.076664 35O 1f-1 0.023004 0.040945 -0.121378 0.109760 -0.098208 0.038338 35O 1f+2 0.012813 0.080473 -0.043479 -0.123569 0.105807 0.072069 35O 1f-2 0.008751 0.071656 -0.086546 -0.073248 0.037115 0.172729 35O 1f+3 -0.080302 -0.191286 0.293909 0.085453 0.008811 -0.059320 35O 1f-3 0.121756 0.035516 -0.214927 0.114920 -0.131323 -0.217910 678 679 680 681 682 683 6.10736 6.11105 6.24216 6.24389 6.29099 6.30699 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s 0.000214 0.000272 -0.000769 0.000138 -0.000999 -0.000036 0Rh 2s -0.001630 -0.002099 0.004808 -0.000712 0.004062 0.000303 0Rh 3s 0.000340 0.000414 -0.001837 0.000408 -0.003690 -0.000043 0Rh 4s 0.010365 0.013408 -0.031216 0.004289 -0.028721 -0.001933 0Rh 5s -0.028953 -0.038063 0.085205 -0.006772 0.079701 0.005526 0Rh 6s 0.035365 0.047842 -0.097718 -0.014021 -0.075875 -0.007392 0Rh 7s 0.087324 0.147481 0.143186 0.328502 -0.022834 0.024467 0Rh 8s 0.147251 0.313616 0.314047 -0.163293 -0.085437 -0.035129 0Rh 1pz 0.049831 -0.111316 -0.007873 0.009683 -0.001985 0.032033 0Rh 1px 0.069273 0.028800 0.022061 -0.028942 0.004818 0.012573 0Rh 1py -0.092442 -0.034699 0.000540 -0.004465 0.000943 -0.022436 0Rh 2pz -0.208215 0.465367 0.032898 -0.040600 0.008365 -0.134091 0Rh 2px -0.289645 -0.120586 -0.092176 0.121363 -0.020293 -0.052642 0Rh 2py 0.386377 0.145040 -0.002361 0.018704 -0.003972 0.093920 0Rh 3pz 0.684855 -1.535652 -0.107859 0.136282 -0.028950 0.442925 0Rh 3px 0.956834 0.401858 0.302046 -0.407512 0.069972 0.174093 0Rh 3py -1.273341 -0.478094 0.009874 -0.062217 0.013539 -0.310211 0Rh 4pz -0.906471 2.048976 0.141231 -0.189662 0.043429 -0.586716 0Rh 4px -1.280263 -0.549335 -0.394827 0.567524 -0.103539 -0.231307 0Rh 4py 1.693477 0.635869 -0.018957 0.084313 -0.018920 0.411031 0Rh 5pz 0.515744 -1.208526 -0.078981 0.130363 -0.036001 0.343864 0Rh 5px 0.763885 0.357717 0.221265 -0.391293 0.081771 0.137356 0Rh 5py -0.985226 -0.370174 0.025365 -0.056362 0.013833 -0.243200 0Rh 6pz -0.161014 1.064213 0.035643 -0.053848 -0.059339 -0.190294 0Rh 6px -0.861672 -0.919263 -0.265139 0.224778 0.067633 -0.064890 0Rh 6py 0.639970 0.220927 -0.467269 0.338943 -0.168064 0.184722 0Rh 1dz2 0.001907 -0.004581 0.005046 -0.003205 0.002998 0.001004 0Rh 1dxz -0.004602 0.004733 0.006423 -0.003971 0.004767 -0.002613 0Rh 1dyz -0.002650 0.001226 -0.001718 0.001760 -0.000577 -0.000923 0Rh 1dx2y2 -0.002765 0.003237 -0.007372 0.004478 -0.005671 -0.000908 0Rh 1dxy 0.006774 0.003122 0.005631 -0.003411 0.002117 0.001662 0Rh 2dz2 -0.001114 0.000186 -0.001851 0.000906 -0.000608 -0.000583 0Rh 2dxz 0.000433 -0.002519 -0.001965 0.000938 -0.001094 0.001451 0Rh 2dyz 0.000517 -0.000683 0.000883 -0.000786 0.000404 0.000652 0Rh 2dx2y2 0.001964 0.001163 0.001709 -0.000765 0.000944 0.000807 0Rh 2dxy -0.001338 -0.000075 -0.002200 0.001451 -0.001293 -0.000939 0Rh 3dz2 -0.004366 0.023429 -0.018183 0.012917 -0.012938 -0.002608 0Rh 3dxz 0.022376 -0.012063 -0.025097 0.016969 -0.020082 0.007116 0Rh 3dyz 0.011360 -0.003095 0.004901 -0.005663 0.001229 0.001803 0Rh 3dx2y2 0.004436 -0.023392 0.031448 -0.020585 0.025436 0.000958 0Rh 3dxy -0.029218 -0.016249 -0.019665 0.011268 -0.005489 -0.004459 0Rh 4dz2 0.002704 -0.055953 0.038797 -0.028803 0.025410 0.004048 0Rh 4dxz -0.052799 0.010882 0.055693 -0.039149 0.040045 -0.012234 0Rh 4dyz -0.023472 0.004130 -0.007851 0.011024 -0.002352 -0.001868 0Rh 4dx2y2 0.003978 0.066446 -0.073045 0.049378 -0.050811 0.001173 0Rh 4dxy 0.062395 0.039108 0.039291 -0.021599 0.012651 0.007474 0Rh 5dz2 0.029204 0.091006 -0.070456 0.037520 -0.017335 0.012305 0Rh 5dxz 0.088772 0.059712 -0.105880 0.054718 -0.031475 -0.006270 0Rh 5dyz 0.022667 0.000699 -0.006011 -0.010534 0.003309 -0.013317 0Rh 5dx2y2 -0.071348 -0.156090 0.152403 -0.073284 0.037746 -0.029565 0Rh 5dxy -0.070668 -0.064526 -0.027730 0.020552 -0.026017 0.008255 0Rh 1f0 -0.005417 0.008004 -0.002075 0.000591 -0.005862 0.009350 0Rh 1f+1 -0.003423 -0.009595 0.000053 0.001790 0.003673 0.002179 0Rh 1f-1 -0.003109 -0.016174 -0.003762 0.003732 -0.001820 -0.002142 0Rh 1f+2 -0.019032 0.001050 -0.001176 0.003077 0.005969 0.010301 0Rh 1f-2 -0.013515 -0.007053 0.000176 0.002903 0.001177 0.004209 0Rh 1f+3 0.002556 -0.015896 0.001279 0.000473 0.008128 -0.006363 0Rh 1f-3 -0.009234 -0.009003 0.002518 0.002610 0.004584 0.000908 1Rh 1s -0.000208 -0.000272 0.000663 0.000402 -0.001001 0.000037 1Rh 2s 0.001581 0.002099 -0.004205 -0.002375 0.004072 -0.000317 1Rh 3s -0.000332 -0.000417 0.001550 0.001032 -0.003694 0.000040 1Rh 4s -0.010054 -0.013410 0.027410 0.015107 -0.028784 0.002020 1Rh 5s 0.028087 0.038051 -0.076597 -0.036633 0.079877 -0.005790 1Rh 6s -0.034237 -0.047724 0.095767 0.021706 -0.076089 0.007848 1Rh 7s -0.091115 -0.147958 -0.252027 0.255150 -0.022041 -0.027278 1Rh 8s -0.145457 -0.315450 -0.234044 -0.264774 -0.085543 0.036332 1Rh 1pz 0.049654 -0.111784 -0.003791 -0.011750 0.002098 0.032123 1Rh 1px 0.069159 0.028545 0.010112 0.034910 -0.004852 0.012469 1Rh 1py -0.092245 -0.034715 -0.001063 0.004349 -0.000689 -0.022383 1Rh 2pz -0.207473 0.467319 0.015791 0.049232 -0.008839 -0.134470 1Rh 2px -0.289168 -0.119519 -0.042096 -0.146268 0.020436 -0.052205 1Rh 2py 0.385554 0.145104 0.004361 -0.018254 0.002906 0.093695 1Rh 3pz 0.682428 -1.542062 -0.050618 -0.164412 0.030527 0.444199 1Rh 3px 0.955249 0.398333 0.134417 0.488476 -0.070441 0.172621 1Rh 3py -1.270645 -0.478319 -0.012623 0.061473 -0.010017 -0.309459 1Rh 4pz -0.903302 2.057402 0.062189 0.225864 -0.045560 -0.588465 1Rh 4px -1.278093 -0.544591 -0.163172 -0.671055 0.104152 -0.229241 1Rh 4py 1.689954 0.636204 0.011915 -0.085386 0.014246 0.410015 1Rh 5pz 0.514056 -1.213194 -0.025975 -0.149298 0.037373 0.344985 1Rh 5px 0.762360 0.354770 0.065037 0.444458 -0.082120 0.135848 1Rh 5py -0.983272 -0.370425 0.003818 0.061773 -0.011090 -0.242640 1Rh 6pz -0.161067 1.066468 0.018471 0.068906 0.057094 -0.191634 1Rh 6px -0.858715 -0.916912 -0.164815 -0.303896 -0.066876 -0.063747 1Rh 6py 0.636425 0.220319 -0.314743 -0.485607 0.166915 0.185869 1Rh 1dz2 -0.001935 0.004588 -0.003613 -0.004934 0.003052 -0.000992 1Rh 1dxz 0.004588 -0.004672 -0.004447 -0.005863 0.004727 0.002597 1Rh 1dyz 0.002673 -0.001227 0.000911 0.002055 -0.000526 0.000926 1Rh 1dx2y2 0.002787 -0.003216 0.005298 0.006858 -0.005707 0.000878 1Rh 1dxy -0.006807 -0.003130 -0.004067 -0.005313 0.002178 -0.001658 1Rh 2dz2 0.001132 -0.000191 0.001420 0.001551 -0.000624 0.000585 1Rh 2dxz -0.000426 0.002496 0.001459 0.001532 -0.001082 -0.001440 1Rh 2dyz -0.000516 0.000690 -0.000527 -0.000986 0.000390 -0.000645 1Rh 2dx2y2 -0.001971 -0.001175 -0.001338 -0.001348 0.000959 -0.000799 1Rh 2dxy 0.001352 0.000076 0.001540 0.002180 -0.001317 0.000939 1Rh 3dz2 0.004429 -0.023444 0.012539 0.019096 -0.013157 0.002528 1Rh 3dxz -0.022334 0.011851 0.016864 0.024286 -0.019926 -0.007079 1Rh 3dyz -0.011490 0.003066 -0.002293 -0.006249 0.001015 -0.001851 1Rh 3dx2y2 -0.004522 0.023338 -0.022015 -0.030585 0.025557 -0.000835 1Rh 3dxy 0.029321 0.016280 0.014463 0.017990 -0.005708 0.004433 1Rh 4dz2 -0.002776 0.055988 -0.026312 -0.041968 0.025917 -0.003862 1Rh 4dxz 0.052714 -0.010461 -0.036951 -0.055360 0.039704 0.012169 1Rh 4dyz 0.023807 -0.004030 0.002845 0.011280 -0.001823 0.002003 1Rh 4dx2y2 -0.003793 -0.066371 0.050548 0.072433 -0.051049 -0.001440 1Rh 4dxy -0.062575 -0.039179 -0.029249 -0.035200 0.013128 -0.007405 1Rh 5dz2 -0.029400 -0.091082 0.052997 0.062176 -0.018295 -0.012652 1Rh 5dxz -0.088728 -0.060372 0.078117 0.087722 -0.030974 0.006380 1Rh 5dyz -0.023508 -0.001087 0.010409 -0.004326 0.002138 0.012837 1Rh 5dx2y2 0.071092 0.156095 -0.116003 -0.122992 0.038012 0.029823 1Rh 5dxy 0.070715 0.064598 0.019052 0.030650 -0.026621 -0.008454 1Rh 1f0 -0.005367 0.008047 -0.001774 -0.001397 0.005899 0.009408 1Rh 1f+1 -0.003437 -0.009612 0.000752 -0.001607 -0.003706 0.002156 1Rh 1f-1 -0.003166 -0.016256 -0.002163 -0.004858 0.001779 -0.002107 1Rh 1f+2 -0.019053 0.001138 -0.000123 -0.003371 -0.005928 0.010272 1Rh 1f-2 -0.013515 -0.007079 0.001291 -0.002446 -0.001297 0.004171 1Rh 1f+3 0.002485 -0.015923 0.001359 -0.000008 -0.008131 -0.006417 1Rh 1f-3 -0.009239 -0.008991 0.003211 -0.001623 -0.004542 0.000928 2C 1s 0.000295 0.000916 0.000508 -0.000400 -0.001609 -0.000826 2C 2s -0.000157 0.002389 0.001170 -0.001320 -0.005942 -0.003599 2C 3s 0.024239 -0.182296 -0.007019 0.030395 0.105097 0.120583 2C 4s -0.085713 0.990878 0.031442 -0.179707 -0.466293 -0.595870 2C 5s 0.191312 -0.014240 -0.131225 0.159265 0.702428 0.311669 2C 1pz -0.002814 -0.025300 -0.002087 0.007345 0.031257 0.017134 2C 1px 0.004403 0.008549 0.000359 0.002605 0.003134 -0.001527 2C 1py 0.001716 -0.012995 -0.006237 0.007969 0.019335 0.025972 2C 2pz 0.030244 0.599979 -0.004867 -0.089690 -0.234117 -0.280868 2C 2px -0.070717 -0.084671 -0.035791 -0.046465 0.011873 0.008049 2C 2py -0.003493 0.367463 0.039511 -0.096042 -0.139885 -0.289559 2C 3pz 0.050595 0.029546 -0.032641 0.039448 0.122826 0.017582 2C 3px 0.018853 0.033282 0.038849 0.011467 0.016903 -0.030467 2C 3py -0.026035 0.022688 -0.021573 0.041547 0.080656 0.033317 2C 1dz2 -0.001159 0.004631 0.000774 0.001474 0.008565 -0.007250 2C 1dxz 0.013513 0.023110 -0.000898 -0.002425 0.007827 -0.004857 2C 1dyz -0.004816 0.019924 -0.006027 0.001493 0.009198 -0.002421 2C 1dx2y2 0.001393 -0.009803 0.005715 -0.002012 -0.006270 -0.005335 2C 1dxy 0.003597 0.018223 -0.002353 -0.000201 -0.000068 0.000788 2C 2dz2 0.040578 0.128450 -0.006348 -0.010371 -0.059894 -0.034736 2C 2dxz 0.042850 0.110715 0.035245 -0.028524 -0.061637 -0.061423 2C 2dyz -0.030721 0.114912 -0.009463 -0.034090 -0.054288 -0.113671 2C 2dx2y2 -0.009279 -0.128594 -0.016547 0.006748 0.045930 0.072085 2C 2dxy -0.011321 0.027423 -0.004902 -0.012340 -0.014080 -0.005862 2C 1f0 0.006550 -0.025597 -0.001790 0.003978 0.002967 0.012759 2C 1f+1 0.015398 -0.003522 -0.008066 0.000455 0.016843 0.004020 2C 1f-1 -0.007480 0.025416 -0.000867 -0.001697 -0.024602 -0.028491 2C 1f+2 0.025653 0.015206 0.008657 -0.001879 -0.002142 0.003216 2C 1f-2 0.000540 0.036270 0.003321 -0.005914 -0.008713 -0.006008 2C 1f+3 0.023787 0.016108 0.007009 -0.003331 -0.000430 0.002144 2C 1f-3 -0.023348 -0.019569 -0.011221 0.004281 0.016780 0.011888 3C 1s -0.000650 0.000439 -0.000259 -0.000669 -0.001523 -0.001236 3C 2s -0.002530 0.000024 -0.000768 -0.002050 -0.005784 -0.008010 3C 3s 0.228802 0.005156 -0.002670 0.031440 0.100297 0.281822 3C 4s -1.202302 0.033135 0.040606 -0.186569 -0.439238 -1.409166 3C 5s 0.203728 0.161413 0.083921 0.281335 0.655846 0.566683 3C 1pz 0.018059 -0.003386 0.000629 0.005462 0.019979 0.035192 3C 1px 0.011179 0.007629 -0.001059 0.000535 0.011129 0.018806 3C 1py -0.023088 0.005061 -0.002479 -0.011274 -0.029282 -0.059093 3C 2pz -0.425709 0.098138 0.029202 -0.077299 -0.150565 -0.482690 3C 2px -0.243994 -0.095904 0.012264 0.004962 -0.064586 -0.213024 3C 2py 0.551317 -0.089209 -0.049648 0.125584 0.193132 0.736610 3C 3pz 0.019190 -0.037461 0.016984 0.035268 0.087880 0.053493 3C 3px -0.020311 0.006719 0.013904 0.043001 0.023219 -0.021988 3C 3py 0.015146 -0.046787 -0.005396 -0.064011 -0.112966 -0.030798 3C 1dz2 0.005514 -0.006012 -0.000182 -0.001512 0.000616 0.005254 3C 1dxz -0.000293 0.009880 0.001767 0.001095 0.006339 0.000545 3C 1dyz 0.021796 0.010253 -0.003210 -0.001030 -0.008007 0.011505 3C 1dx2y2 0.019604 0.002997 -0.008295 -0.004452 -0.010449 -0.003497 3C 1dxy 0.009626 -0.014008 -0.001771 -0.004115 -0.007358 0.000873 3C 2dz2 0.021505 -0.024740 0.001790 0.009815 0.018350 0.059493 3C 2dxz -0.044939 0.048280 0.008946 -0.014880 -0.046693 -0.112523 3C 2dyz 0.114334 0.040536 -0.027881 0.019931 0.023388 0.141596 3C 2dx2y2 0.144500 -0.071080 0.000226 0.046208 0.063676 0.207214 3C 2dxy 0.135213 -0.011783 -0.005457 0.007967 0.070457 0.180015 3C 1f0 0.025347 -0.019260 0.003636 0.005442 0.022390 0.041119 3C 1f+1 0.017594 -0.026573 0.002044 0.003331 0.015249 0.031026 3C 1f-1 -0.007176 0.019050 -0.002840 0.000569 -0.001500 -0.002517 3C 1f+2 0.038811 0.029901 0.000747 0.007380 0.016370 0.051013 3C 1f-2 0.003735 0.010315 -0.002823 -0.004457 0.001022 0.007923 3C 1f+3 0.005462 0.010087 0.007952 0.007662 0.001682 -0.015488 3C 1f-3 -0.002380 0.015710 -0.007817 -0.001715 -0.017470 -0.019263 4C 1s 0.000179 0.020797 -0.008566 0.013840 0.049375 0.020861 4C 2s 0.000442 0.032650 -0.012181 0.020141 0.072474 0.030946 4C 3s -0.028080 -0.088385 0.023777 -0.059400 -0.205337 -0.160676 4C 4s 0.105791 -0.720712 0.246423 -0.388389 -1.175223 -0.148698 4C 5s -0.037480 0.698910 -0.106942 0.016934 -0.257076 -0.114381 4C 1pz -0.017532 -0.162940 0.016187 -0.032959 -0.102872 -0.022918 4C 1px 0.054986 0.085095 0.004505 0.010711 -0.023519 -0.004577 4C 1py 0.003060 -0.063726 0.011367 -0.017189 -0.070671 -0.024225 4C 2pz -0.087857 0.339348 0.159651 -0.265430 -0.772383 -0.594192 4C 2px 0.478375 0.870093 -0.032271 -0.026718 -0.167995 -0.109036 4C 2py 0.029726 0.565175 0.034831 -0.154850 -0.542155 -0.312001 4C 3pz -0.016514 0.577619 -0.054918 0.145678 0.318607 0.005186 4C 3px -0.042180 0.112449 -0.127972 0.095619 -0.017766 0.003712 4C 3py 0.185523 0.361271 -0.084984 0.109419 0.187484 0.013053 4C 1dz2 -0.016124 0.002316 -0.004812 0.014166 0.129274 0.030606 4C 1dxz 0.085427 0.257535 -0.026295 0.066157 0.204799 0.065790 4C 1dyz -0.014419 0.014310 0.007370 -0.022447 -0.037317 -0.011041 4C 1dx2y2 0.015995 -0.187571 0.058115 -0.087645 -0.324551 -0.148153 4C 1dxy 0.060140 0.042625 0.028358 -0.023084 -0.153628 -0.051458 4C 2dz2 -0.007663 -0.221662 -0.007026 0.113475 0.102509 0.169404 4C 2dxz 0.074534 0.007316 -0.036208 0.022730 0.183548 0.137673 4C 2dyz -0.026638 -0.208867 0.012691 0.048966 0.022829 0.073461 4C 2dx2y2 0.066320 0.112987 0.028884 -0.115893 -0.250762 -0.076071 4C 2dxy 0.069542 0.049432 -0.001118 -0.045005 -0.097346 -0.016564 4C 1f0 -0.001223 0.064324 -0.021543 0.028617 0.087445 0.061632 4C 1f+1 -0.089885 -0.015778 -0.057556 0.054067 0.188339 0.081188 4C 1f-1 -0.010563 0.019737 -0.010159 0.005784 0.043333 -0.009321 4C 1f+2 -0.024668 -0.108574 0.042145 -0.049882 -0.160371 -0.076250 4C 1f-2 0.071636 -0.000673 0.011776 0.008172 0.011815 -0.004549 4C 1f+3 -0.127197 -0.048845 -0.012538 0.009530 -0.024611 0.031275 4C 1f-3 0.050155 -0.094585 -0.007509 0.043275 0.166248 0.051809 5C 1s -0.023048 0.003467 0.005574 0.017729 0.050238 0.056126 5C 2s -0.036130 0.005605 0.007779 0.025150 0.074062 0.082983 5C 3s 0.077332 -0.054972 -0.007725 -0.038159 -0.218733 -0.391607 5C 4s 0.870764 0.060165 -0.178210 -0.628948 -1.164973 -0.617885 5C 5s -0.833166 0.025665 0.082610 -0.031196 -0.188721 -0.213659 5C 1pz 0.069745 -0.047408 -0.007590 -0.015037 -0.066431 -0.046069 5C 1px 0.095086 0.079231 -0.005161 -0.030516 -0.035308 -0.031738 5C 1py -0.134293 0.038074 0.012375 0.030969 0.108090 0.078773 5C 2pz -0.492642 -0.218108 -0.047802 -0.213988 -0.465421 -0.853677 5C 2px 0.082767 0.791686 -0.024671 -0.158079 -0.270368 -0.525124 5C 2py 0.728697 -0.000144 0.013121 0.317002 0.768547 1.370615 5C 3pz -0.319075 0.197121 0.037007 0.159790 0.165276 -0.000377 5C 3px -0.212266 0.051944 -0.040295 -0.046272 0.165964 0.004647 5C 3py 0.532915 -0.023451 -0.059873 -0.214126 -0.307133 -0.013039 5C 1dz2 -0.127024 -0.051549 0.012227 0.065840 0.191487 0.191400 5C 1dxz -0.095479 0.092609 0.018584 0.057232 0.211743 0.222035 5C 1dyz -0.004392 0.063548 0.023613 0.048647 0.115967 0.133657 5C 1dx2y2 0.243136 0.025830 -0.032376 -0.109969 -0.302814 -0.323540 5C 1dxy 0.032916 -0.132576 -0.018229 -0.006232 -0.099146 -0.080770 5C 2dz2 -0.061243 -0.093342 0.023970 0.042341 0.137827 0.115364 5C 2dxz 0.109044 0.009129 -0.019981 0.143180 0.139672 0.261358 5C 2dyz -0.174853 0.086703 0.020649 0.004285 0.036085 -0.171700 5C 2dx2y2 -0.129361 0.089152 0.011367 -0.118104 -0.249807 -0.384757 5C 2dxy -0.191924 -0.098667 0.040359 -0.103922 -0.066496 -0.228007 5C 1f0 0.054517 0.078630 0.018847 0.029665 0.063173 0.082962 5C 1f+1 -0.010408 0.018281 0.031196 0.065310 0.120805 0.177344 5C 1f-1 0.014760 0.028373 0.002969 -0.000012 -0.013120 0.001945 5C 1f+2 0.017987 -0.116325 -0.024809 -0.026631 -0.025965 -0.014005 5C 1f-2 -0.005449 -0.048854 -0.018279 -0.058083 -0.140508 -0.162469 5C 1f+3 -0.072097 -0.098615 0.030518 0.059334 0.162151 0.148758 5C 1f-3 -0.015515 0.031927 -0.010391 -0.069038 -0.183934 -0.205766 6C 1s 0.023055 -0.003474 -0.011263 0.014389 0.050463 -0.056143 6C 2s 0.036130 -0.005598 -0.015924 0.020439 0.074380 -0.082995 6C 3s -0.076473 0.054658 0.023321 -0.031656 -0.219357 0.391158 6C 4s -0.874200 -0.058064 0.369881 -0.521403 -1.171584 0.620745 6C 5s 0.832669 -0.023558 -0.073546 -0.062154 -0.189299 0.214287 6C 1pz 0.069652 -0.047606 -0.012563 0.011285 0.066466 -0.045924 6C 1px 0.095451 0.079910 -0.015379 0.025766 0.036035 -0.031937 6C 1py -0.134257 0.038071 0.022694 -0.024185 -0.108267 0.078723 6C 2pz -0.493978 -0.221301 -0.114111 0.179502 0.469542 -0.853821 6C 2px 0.085936 0.799307 -0.076909 0.147146 0.267942 -0.526549 6C 2py 0.729817 0.002370 0.113792 -0.288347 -0.775408 1.371847 6C 3pz -0.319976 0.195832 0.094394 -0.134993 -0.163030 0.000557 6C 3px -0.211081 0.052463 -0.051322 0.032674 -0.166003 0.004493 6C 3py 0.533694 -0.022029 -0.137515 0.176273 0.303572 -0.013892 6C 1dz2 0.127073 0.051726 -0.033602 0.056496 0.192260 -0.191460 6C 1dxz 0.095510 -0.092993 -0.036768 0.045847 0.213008 -0.222194 6C 1dyz 0.004267 -0.064016 -0.038651 0.036403 0.116420 -0.133612 6C 1dx2y2 -0.243329 -0.026421 0.067992 -0.090425 -0.303854 0.323724 6C 1dxy -0.032468 0.133579 0.018920 0.001353 -0.099314 0.080297 6C 2dz2 0.062088 0.094251 -0.035241 0.031754 0.137790 -0.115351 6C 2dxz -0.109439 -0.010420 -0.028774 0.140024 0.141486 -0.261988 6C 2dyz 0.175108 -0.087609 -0.019811 -0.004669 0.036850 0.171711 6C 2dx2y2 0.128785 -0.089850 0.026709 -0.116066 -0.251572 0.385458 6C 2dxy 0.193345 0.100851 -0.004173 -0.109485 -0.068527 0.228382 6C 1f0 0.054749 0.079178 0.027327 -0.020525 -0.063494 0.082788 6C 1f+1 -0.010657 0.018009 0.051566 -0.050126 -0.121285 0.177525 6C 1f-1 0.014673 0.028291 0.002948 0.001224 0.013006 0.001884 6C 1f+2 0.017878 -0.116876 -0.032553 0.015939 0.025803 -0.013852 6C 1f-2 -0.005368 -0.049293 -0.036170 0.046490 0.141847 -0.162644 6C 1f+3 -0.072555 -0.099060 0.048020 -0.044333 -0.162576 0.148731 6C 1f-3 -0.015559 0.031372 -0.032207 0.059955 0.185206 -0.206059 7C 1s -0.000171 -0.020776 0.003037 0.015949 0.049067 -0.020699 7C 2s -0.000420 -0.032628 0.004240 0.023133 0.072009 -0.030711 7C 3s 0.026695 0.089798 -0.004805 -0.065229 -0.202606 0.159419 7C 4s -0.098824 0.714577 -0.075074 -0.444409 -1.174105 0.149076 7C 5s 0.033855 -0.697079 0.099910 0.054610 -0.255203 0.108799 7C 1pz -0.017742 -0.163239 0.003885 0.036258 0.102420 -0.022844 7C 1px 0.055290 0.086457 0.008278 -0.007387 0.022845 -0.004535 7C 1py 0.003038 -0.063961 0.004920 0.020394 0.070556 -0.024211 7C 2pz -0.085811 0.338035 0.046470 0.305340 0.762514 -0.587383 7C 2px 0.483148 0.882821 -0.041693 0.004969 0.169743 -0.108827 7C 2py 0.032651 0.569692 -0.028219 0.154355 0.539452 -0.309417 7C 3pz -0.015103 0.579132 -0.006277 -0.155401 -0.318035 0.002197 7C 3px -0.042021 0.113898 -0.084850 -0.137132 0.019844 0.002996 7C 3py 0.186651 0.364347 -0.044556 -0.134635 -0.187903 0.011066 7C 1dz2 0.016634 -0.001829 -0.000189 0.014937 0.129095 -0.030186 7C 1dxz -0.085967 -0.259332 0.000835 0.071102 0.203409 -0.065027 7C 1dyz 0.014321 -0.014331 0.001467 -0.023490 -0.037318 0.011101 7C 1dx2y2 -0.016328 0.187059 -0.022918 -0.102476 -0.322647 0.147134 7C 1dxy -0.060187 -0.043661 -0.018228 -0.031374 -0.152619 0.050962 7C 2dz2 0.008952 0.223396 -0.037150 0.106501 0.102158 -0.168793 7C 2dxz -0.075235 -0.009483 0.023514 0.036064 0.181057 -0.135806 7C 2dyz 0.027612 0.209935 -0.030937 0.041298 0.021096 -0.072890 7C 2dx2y2 -0.066658 -0.115632 0.019044 -0.117356 -0.249238 0.075086 7C 2dxy -0.070439 -0.052913 0.019781 -0.038943 -0.098285 0.016709 7C 1f0 -0.001418 0.063823 -0.009478 -0.034423 -0.087041 0.061494 7C 1f+1 -0.089628 -0.017072 -0.033087 -0.070580 -0.186584 0.080581 7C 1f-1 -0.010108 0.019819 -0.007212 -0.008528 -0.043377 -0.009362 7C 1f+2 -0.024744 -0.108926 0.020793 0.061755 0.159303 -0.075695 7C 1f-2 0.071278 -0.000368 0.013892 -0.003597 -0.012083 -0.004510 7C 1f+3 -0.127907 -0.051562 -0.008254 -0.013223 0.024537 0.031545 7C 1f-3 0.049680 -0.094701 0.009369 -0.041955 -0.166112 0.051295 8C 1s 0.000643 -0.000446 0.000476 -0.000525 -0.001535 0.001241 8C 2s 0.002528 -0.000032 0.001413 -0.001618 -0.005822 0.008017 8C 3s -0.229412 -0.005519 -0.007806 0.030013 0.101279 -0.281843 8C 4s 1.205270 -0.031053 0.022149 -0.188020 -0.444074 1.409547 8C 5s -0.203461 -0.160605 -0.179571 0.229329 0.654708 -0.568405 8C 1pz 0.018035 -0.003329 0.002302 -0.004785 -0.020186 0.035142 8C 1px 0.011142 0.007743 -0.000852 -0.000821 -0.011161 0.018667 8C 1py -0.023190 0.005053 -0.006152 0.009589 0.029480 -0.059172 8C 2pz -0.425166 0.097553 0.002837 0.082486 0.152697 -0.481725 8C 2px -0.243210 -0.097100 0.014034 -0.000185 0.064237 -0.211074 8C 2py 0.553580 -0.089845 -0.004689 -0.135699 -0.195604 0.738760 8C 3pz 0.019106 -0.037488 0.028806 -0.026187 -0.087714 0.053202 8C 3px -0.021318 0.006655 0.028200 -0.035775 -0.022186 -0.022749 8C 3py 0.014845 -0.046341 -0.028391 0.057252 0.112484 -0.031865 8C 1dz2 -0.005487 0.006001 0.000757 -0.001377 0.000645 -0.005235 8C 1dxz 0.000301 -0.009957 -0.001971 0.000279 0.006400 -0.000455 8C 1dyz -0.022002 -0.010310 0.003294 0.000247 -0.008034 -0.011551 8C 1dx2y2 -0.019616 -0.003102 0.009280 -0.001132 -0.010431 0.003529 8C 1dxy -0.009571 0.014283 0.003093 -0.003121 -0.007382 -0.000847 8C 2dz2 -0.021918 0.024038 -0.005322 0.008421 0.017974 -0.059160 8C 2dxz 0.045004 -0.048461 -0.003585 -0.017128 -0.047771 0.113537 8C 2dyz -0.115387 -0.041095 0.019351 0.028902 0.023611 -0.141992 8C 2dx2y2 -0.143393 0.071430 -0.015166 0.043194 0.063796 -0.206350 8C 2dxy -0.135448 0.012514 0.002910 0.009386 0.071604 -0.180482 8C 1f0 0.025121 -0.019507 0.005164 -0.003737 -0.022467 0.040985 8C 1f+1 0.017618 -0.026462 0.002944 -0.002175 -0.015514 0.031176 8C 1f-1 -0.006977 0.019145 -0.002411 -0.001611 0.001454 -0.002330 8C 1f+2 0.038930 0.030158 0.003197 -0.006568 -0.016514 0.050939 8C 1f-2 0.004046 0.010324 -0.004202 0.003129 -0.001061 0.008020 8C 1f+3 0.005409 0.010170 0.010149 -0.004263 -0.001636 -0.015517 8C 1f-3 -0.002143 0.016004 -0.007832 -0.001396 0.017645 -0.019250 9C 1s -0.000292 -0.000941 -0.000322 -0.000539 -0.001608 0.000801 9C 2s 0.000123 -0.002406 -0.000607 -0.001631 -0.005902 0.003539 9C 3s -0.022431 0.181427 -0.004442 0.031170 0.103271 -0.119149 9C 4s 0.077598 -0.988008 0.038294 -0.180121 -0.457169 0.589049 9C 5s -0.184745 0.008243 0.071161 0.196188 0.698087 -0.299551 9C 1pz -0.002887 -0.025363 0.000741 -0.007531 -0.030917 0.016921 9C 1px 0.004427 0.008768 0.001285 -0.002257 -0.003040 -0.001592 9C 1py 0.001657 -0.013039 -0.002831 -0.009692 -0.019141 0.025834 9C 2pz 0.033572 0.602603 -0.039428 0.081430 0.230364 -0.277398 9C 2px -0.070166 -0.086942 -0.050981 0.029761 -0.012706 0.008598 9C 2py -0.001489 0.367682 -0.000809 0.103780 0.136297 -0.286246 9C 3pz 0.050398 0.029627 -0.017593 -0.048661 -0.122546 0.016224 9C 3px 0.019085 0.033138 0.040616 0.003975 -0.017392 -0.030222 9C 3py -0.026195 0.024113 -0.005621 -0.046321 -0.080103 0.031433 9C 1dz2 0.001087 -0.004399 -0.001244 0.000947 0.008553 0.007066 9C 1dxz -0.013629 -0.023559 0.001746 -0.001978 0.007781 0.004882 9C 1dyz 0.004473 -0.019950 0.005048 0.003525 0.009306 0.002477 9C 1dx2y2 -0.001476 0.009897 -0.004652 -0.004003 -0.006267 0.005462 9C 1dxy -0.003659 -0.018350 0.002346 0.000689 -0.000034 -0.000719 9C 2dz2 -0.040847 -0.126735 0.010546 -0.006687 -0.057575 0.032269 9C 2dxz -0.044014 -0.112151 -0.021799 -0.038752 -0.060721 0.059963 9C 2dyz 0.028955 -0.116619 0.021671 -0.028776 -0.053825 0.113230 9C 2dx2y2 0.009110 0.130806 0.012105 0.012092 0.046367 -0.072044 9C 2dxy 0.012131 -0.025969 0.009230 -0.009891 -0.014087 0.006034 9C 1f0 0.006769 -0.026447 -0.000081 -0.004217 -0.003316 0.013165 9C 1f+1 0.015576 -0.003680 -0.007508 -0.003196 -0.016734 0.003884 9C 1f-1 -0.006857 0.025091 -0.001350 0.001287 0.024242 -0.028009 9C 1f+2 0.025280 0.015340 0.007122 0.004557 0.001992 0.003518 9C 1f-2 0.001120 0.036124 0.000979 0.006848 0.008241 -0.005938 9C 1f+3 0.023893 0.016991 0.005224 0.005596 0.000455 0.002157 9C 1f-3 -0.023022 -0.019811 -0.008855 -0.008025 -0.016686 0.011803 10H 1s 0.026825 0.035042 0.011007 -0.002927 -0.012788 -0.012978 10H 2s 0.077534 0.205830 0.039764 0.003775 -0.055565 -0.056435 10H 3s -0.041192 -0.024616 -0.021711 -0.008053 -0.042144 -0.016808 10H 1pz 0.024452 0.030575 0.001571 0.007669 0.009579 0.002197 10H 1px -0.020619 -0.050149 -0.011675 0.003120 0.017777 0.018375 10H 1py 0.007741 0.015943 0.000146 0.004631 0.005829 0.002315 11H 1s -0.002310 -0.024121 -0.009468 0.002855 0.015601 0.016757 11H 2s -0.048074 -0.060256 -0.039292 0.009094 0.019285 0.039811 11H 3s -0.007070 0.074457 0.040456 -0.001027 -0.079742 -0.090131 11H 1pz -0.010096 -0.015253 -0.007585 0.004933 0.001377 0.016670 11H 1px -0.006449 -0.026417 -0.010118 0.002117 0.012241 0.014840 11H 1py 0.004164 -0.002350 0.005898 -0.000021 -0.006382 0.001145 12H 1s 0.015347 -0.020778 0.003594 -0.000877 0.008165 0.003646 12H 2s -0.013569 -0.044247 0.005137 -0.016754 0.013291 -0.017225 12H 3s -0.024374 0.061981 0.018280 0.021262 -0.080741 -0.048884 12H 1pz -0.005206 -0.015779 -0.000765 0.002021 0.003606 -0.004727 12H 1px -0.004372 -0.020719 -0.003852 -0.001137 0.012207 0.006605 12H 1py 0.004100 -0.019662 0.006087 -0.003921 0.008472 -0.007263 13H 1s -0.001032 0.039028 -0.004919 -0.001953 -0.014868 -0.025814 13H 2s -0.032257 0.133937 0.011793 -0.039114 -0.037616 -0.082933 13H 3s -0.040366 -0.061975 -0.013435 -0.003073 -0.037008 -0.040693 13H 1pz 0.002366 0.034946 0.001456 -0.005424 -0.001324 -0.006508 13H 1px 0.012992 -0.026030 0.000697 0.007577 0.014357 0.027897 13H 1py -0.022616 -0.025272 -0.006732 -0.002285 -0.016032 -0.024984 14H 1s 0.002806 0.010038 0.001146 0.003270 0.001399 0.007893 14H 2s -0.074672 -0.049936 -0.008618 -0.001518 0.002162 0.013337 14H 3s -0.048519 -0.007842 -0.000779 -0.006984 -0.063566 -0.106719 14H 1pz -0.014156 -0.003631 -0.001524 0.002160 -0.001407 -0.000119 14H 1px -0.004335 -0.011672 0.001445 0.004198 0.009818 0.023027 14H 1py -0.010049 0.012765 -0.002321 -0.008126 -0.007911 -0.015726 15H 1s 0.030512 -0.003780 0.006553 0.006600 0.017240 0.028128 15H 2s 0.074831 -0.063834 0.008843 -0.001702 0.033413 0.073931 15H 3s -0.099009 0.011305 -0.023562 -0.013985 -0.080766 -0.139986 15H 1pz -0.015518 0.009504 -0.007690 -0.002486 -0.015001 -0.021623 15H 1px 0.013063 -0.007489 0.001142 0.001743 0.004606 0.013622 15H 1py -0.031485 0.012611 0.001492 0.001507 -0.006872 -0.017965 16H 1s -0.025592 0.020343 0.297258 -0.198431 0.051694 -0.011000 16H 2s -0.077899 -0.066733 0.379118 -0.244107 0.073186 -0.039683 16H 3s 0.011042 0.036191 -0.089374 0.056072 0.019208 0.008119 16H 1pz -0.042748 0.011328 0.425503 -0.281714 0.083245 -0.031043 16H 1px 0.004656 -0.009230 -0.038274 0.021846 -0.022912 0.006762 16H 1py -0.006909 0.017319 0.090473 -0.064470 -0.010881 0.003969 17H 1s 0.023578 -0.023663 0.300037 -0.202143 0.049136 -0.040900 17H 2s -0.041423 -0.087590 0.375555 -0.240138 0.066274 -0.027923 17H 3s 0.032448 0.004791 -0.094682 0.059788 0.019101 0.006780 17H 1pz -0.002820 0.026291 -0.280122 0.187757 -0.046434 0.041428 17H 1px -0.022043 0.037375 -0.298634 0.194953 -0.068263 0.011900 17H 1py 0.018981 -0.006184 0.153397 -0.106582 -0.001947 -0.019345 18H 1s -0.022357 0.023362 -0.206689 -0.295383 0.049322 0.042396 18H 2s 0.040038 0.087602 -0.262057 -0.356878 0.065964 0.028067 18H 3s -0.032457 -0.003996 0.067212 0.090023 0.018944 -0.007065 18H 1pz -0.002831 0.026618 -0.196266 -0.279216 0.046793 0.042967 18H 1px -0.021797 0.037731 -0.207692 -0.288379 0.068186 0.012731 18H 1py 0.018330 -0.004969 0.098177 0.145278 0.003611 -0.018659 19H 1s 0.025259 -0.020928 -0.206252 -0.292446 0.052258 0.012913 19H 2s 0.075907 0.067563 -0.267495 -0.365132 0.074440 0.040133 19H 3s -0.011600 -0.035643 0.062685 0.083800 0.019458 -0.008327 19H 1pz -0.041028 0.011294 0.294644 0.413920 -0.084219 -0.032701 19H 1px 0.004441 -0.009186 -0.029990 -0.037051 0.023552 0.006477 19H 1py -0.007858 0.017269 0.068286 0.102292 0.008784 0.002674 20H 1s -0.030276 0.003957 -0.008189 0.003628 0.017337 -0.027830 20H 2s -0.073322 0.063302 -0.006693 -0.005121 0.033856 -0.072345 20H 3s 0.098513 -0.011172 0.026607 -0.004013 -0.081308 0.139473 20H 1pz -0.015191 0.009398 -0.007876 -0.000604 0.014998 -0.021108 20H 1px 0.013336 -0.007583 0.001674 -0.001225 -0.004927 0.014001 20H 1py -0.031047 0.012441 0.002187 -0.000944 0.006999 -0.017514 21H 1s -0.003278 -0.009867 -0.002395 0.002652 0.001729 -0.008482 21H 2s 0.073143 0.049797 0.008311 0.001606 0.002857 -0.015183 21H 3s 0.049268 0.007730 0.003097 -0.005800 -0.064211 0.107998 21H 1pz -0.013936 -0.003528 -0.000540 -0.002607 0.001432 0.000185 21H 1px -0.003760 -0.011743 0.002807 -0.003332 -0.010119 0.023609 21H 1py -0.009890 0.012704 -0.004842 0.006688 0.007634 -0.015318 22H 1s 0.000938 -0.039137 0.005163 0.000096 -0.015240 0.026045 22H 2s 0.031716 -0.135541 0.002104 -0.041178 -0.038711 0.084074 22H 3s 0.040101 0.062386 0.013471 0.002141 -0.036674 0.040127 22H 1pz 0.002696 0.035031 -0.000416 0.005648 0.001357 -0.006440 22H 1px 0.013053 -0.026463 0.003288 -0.006858 -0.014804 0.028373 22H 1py -0.022664 -0.025793 -0.007035 -0.000484 0.016001 -0.024665 23H 1s -0.014770 0.020872 -0.002737 -0.001918 0.008572 -0.003813 23H 2s 0.012207 0.045215 0.001815 -0.016939 0.014160 0.015204 23H 3s 0.023378 -0.061939 -0.025452 0.013091 -0.080579 0.047798 23H 1pz -0.005047 -0.015206 0.000239 -0.002023 -0.002934 -0.005117 23H 1px -0.004580 -0.020816 -0.004069 -0.000412 -0.012050 0.006728 23H 1py 0.004314 -0.019844 0.003987 0.005691 -0.008701 -0.006759 24H 1s 0.003105 0.023732 0.007726 0.006050 0.015075 -0.016189 24H 2s 0.047781 0.059231 0.033413 0.022974 0.017929 -0.038818 24H 3s 0.005534 -0.073240 -0.038167 -0.015531 -0.078256 0.087461 24H 1pz -0.010281 -0.014938 -0.005289 -0.007525 -0.001154 0.016451 24H 1px -0.006622 -0.026350 -0.008839 -0.005782 -0.012086 0.014694 24H 1py 0.004092 -0.003281 0.005408 0.002020 0.005708 0.001736 25H 1s -0.026233 -0.036143 -0.008985 -0.006577 -0.012824 0.012865 25H 2s -0.078116 -0.209062 -0.037443 -0.009929 -0.055924 0.055201 25H 3s 0.040020 0.026074 0.023071 0.000165 -0.041688 0.015917 25H 1pz 0.024554 0.031817 0.004143 -0.006641 -0.009173 0.002115 25H 1px -0.020446 -0.051075 -0.009494 -0.006844 -0.017824 0.017971 25H 1py 0.007439 0.015457 0.001505 -0.004506 -0.006162 0.002770 26O 1s -0.001967 -0.002668 0.000227 0.000498 0.004982 0.001578 26O 2s -0.007834 -0.008709 -0.000168 0.003051 0.021452 0.007265 26O 3s 0.119213 0.114783 0.022304 -0.070357 -0.362345 -0.129808 26O 4s -0.348179 -0.377336 -0.078297 0.261848 1.028089 0.379371 26O 5s -0.152068 -0.430870 -0.031936 0.051199 0.144951 0.091728 26O 1pz 0.012108 0.030816 -0.001992 0.006103 0.010741 0.007588 26O 1px -0.006918 0.017621 -0.009539 0.013365 0.082496 0.032372 26O 1py -0.041686 0.039443 -0.012109 0.014475 0.034283 -0.000805 26O 2pz -0.021412 0.001404 0.017460 -0.031940 -0.054281 -0.038724 26O 2px 0.130836 0.115428 0.094762 -0.163714 -0.638923 -0.257508 26O 2py 0.200366 -0.006103 0.070042 -0.100633 -0.261958 -0.079271 26O 3pz 0.091787 -0.012458 -0.094612 0.024440 -0.082140 0.059978 26O 3px 0.222036 0.440654 -0.058489 -0.039107 -0.127242 -0.028163 26O 3py -0.059433 0.186709 -0.033796 -0.027646 -0.083061 -0.090421 26O 1dz2 0.038339 -0.035465 -0.033160 -0.010601 -0.064183 -0.007442 26O 1dxz -0.002644 0.034128 -0.024897 0.049306 0.067129 0.009342 26O 1dyz 0.005357 -0.091580 0.009799 -0.019718 0.065116 0.068809 26O 1dx2y2 0.020132 -0.038394 -0.025179 0.006883 0.062019 0.010760 26O 1dxy -0.050353 -0.005321 -0.048803 0.050431 0.114232 0.076705 26O 2dz2 0.032769 0.018209 0.048113 -0.038535 -0.130359 -0.067918 26O 2dxz 0.002024 -0.052449 0.017050 -0.015186 0.014558 0.002900 26O 2dyz -0.022591 0.006683 -0.000698 0.007318 -0.023825 -0.035849 26O 2dx2y2 -0.003994 -0.011889 -0.008531 0.035061 0.160772 0.055137 26O 2dxy -0.074836 -0.021403 -0.011930 0.030840 0.138889 0.050821 26O 1f0 -0.031417 0.062209 0.002010 0.010722 0.086321 0.011751 26O 1f+1 -0.102709 -0.055461 -0.054020 0.042711 0.157691 0.092787 26O 1f-1 -0.051708 -0.046763 -0.030607 0.033779 0.092358 0.065565 26O 1f+2 -0.075307 0.030254 -0.007316 -0.017088 -0.102835 -0.030464 26O 1f-2 0.014623 -0.126954 -0.009451 -0.000802 -0.055745 -0.003669 26O 1f+3 0.077502 -0.111093 0.012926 -0.013898 0.050414 -0.016218 26O 1f-3 -0.044017 0.020109 -0.028699 0.046603 0.226395 0.093493 27O 1s -0.002379 -0.002828 -0.000568 0.002075 0.004326 0.004640 27O 2s -0.011619 -0.011196 -0.001126 0.008746 0.019404 0.020840 27O 3s 0.189287 0.171935 -0.002441 -0.146963 -0.341399 -0.368293 27O 4s -0.458269 -0.503013 0.008450 0.426947 0.996267 1.084811 27O 5s 0.109974 -0.362848 0.199768 0.040289 0.134430 0.211583 27O 1pz -0.026024 -0.021475 -0.004078 -0.001891 -0.001598 -0.011529 27O 1px -0.096451 -0.029466 0.011642 0.029648 0.086596 0.078419 27O 1py 0.068025 -0.013330 -0.001230 -0.010527 -0.023101 -0.014802 27O 2pz 0.038502 0.083616 0.020535 0.015081 0.038418 0.050941 27O 2px 0.377177 0.300450 -0.092550 -0.251489 -0.688163 -0.727357 27O 2py -0.176356 -0.024632 0.018071 0.065809 0.144260 0.148996 27O 3pz 0.010655 -0.170108 0.075536 -0.080086 0.022423 0.016264 27O 3px -0.121378 0.276856 0.102037 -0.210891 -0.041912 -0.200580 27O 3py -0.006517 -0.102606 -0.074446 0.133593 0.001383 0.016817 27O 1dz2 -0.000092 0.018160 -0.028596 -0.040274 -0.070025 0.032413 27O 1dxz -0.051626 -0.026640 -0.007567 0.003676 0.036207 0.016034 27O 1dyz -0.176680 0.002896 -0.033615 -0.007094 -0.006296 -0.228389 27O 1dx2y2 -0.088750 -0.050365 -0.006961 0.040950 0.098544 0.166413 27O 1dxy 0.098476 0.029301 -0.008143 -0.032028 -0.132422 -0.191158 27O 2dz2 0.085778 0.052187 -0.002110 -0.044502 -0.118757 -0.197116 27O 2dxz 0.022974 -0.032365 -0.013931 -0.015102 -0.050135 -0.038145 27O 2dyz 0.072492 0.023912 0.022074 0.014080 0.021963 0.151196 27O 2dx2y2 -0.085243 -0.077686 0.028322 0.082368 0.208590 0.199544 27O 2dxy 0.052179 0.041712 -0.013760 -0.032159 -0.037459 -0.009004 27O 1f0 -0.095221 -0.017256 -0.020049 -0.007643 -0.008667 -0.023433 27O 1f+1 -0.155852 -0.021491 0.020299 0.074053 0.170898 0.211401 27O 1f-1 0.068469 -0.041944 -0.006063 -0.023855 -0.045671 -0.044908 27O 1f+2 -0.034716 0.007464 0.020776 -0.006057 -0.019969 -0.047734 27O 1f-2 -0.117378 -0.028839 -0.028335 -0.023197 -0.044888 -0.108047 27O 1f+3 0.007752 -0.134660 0.008006 0.069158 0.178804 0.225936 27O 1f-3 0.237132 0.045887 -0.023483 -0.073450 -0.194888 -0.186952 28O 1s 0.001522 0.003729 -0.000173 0.001922 0.004252 0.001760 28O 2s 0.006341 0.017157 -0.001654 0.007731 0.019153 0.007829 28O 3s -0.096670 -0.274120 0.043901 -0.122143 -0.338683 -0.137637 28O 4s 0.256262 0.676785 -0.132987 0.350567 0.993633 0.408235 28O 5s 0.158807 0.065005 -0.189716 -0.086006 0.149273 0.107504 28O 1pz 0.036980 0.104787 -0.007597 0.017680 0.061004 0.017758 28O 1px -0.003067 -0.069098 0.014014 -0.016259 -0.063132 -0.023849 28O 1py -0.028403 0.047069 -0.001641 0.006064 0.011081 0.000779 28O 2pz -0.191136 -0.405739 0.081049 -0.123946 -0.449748 -0.181077 28O 2px 0.074609 0.371384 -0.119185 0.135165 0.535746 0.216218 28O 2py 0.088168 -0.140049 0.018121 -0.025931 -0.064086 -0.016940 28O 3pz 0.028432 -0.030174 -0.056474 -0.230040 0.008407 0.011484 28O 3px 0.159507 -0.010860 -0.016805 0.074570 0.059523 0.080670 28O 3py -0.126411 -0.000844 -0.002876 -0.061336 0.003242 -0.022700 28O 1dz2 0.045771 0.038969 -0.001320 0.011068 0.078757 0.177183 28O 1dxz -0.051650 -0.160431 0.028139 -0.050823 -0.136877 0.072782 28O 1dyz -0.031049 -0.085389 -0.037246 -0.002810 0.055712 0.021681 28O 1dx2y2 0.000491 -0.013209 -0.005368 0.008919 0.040840 0.199688 28O 1dxy 0.004073 -0.151920 -0.019907 -0.012815 -0.054484 -0.055767 28O 2dz2 0.050068 0.036240 0.005389 0.004460 -0.015453 -0.094604 28O 2dxz -0.049942 -0.141076 0.035227 -0.060376 -0.198342 -0.157533 28O 2dyz 0.001222 0.096699 0.005643 0.004835 -0.009698 -0.002525 28O 2dx2y2 0.024401 0.101994 -0.030590 0.041982 0.141178 -0.048533 28O 2dxy 0.025052 0.007108 0.028233 -0.005518 -0.014262 0.015015 28O 1f0 -0.090868 0.045795 -0.041983 0.025536 0.077263 0.080695 28O 1f+1 0.085450 0.233550 -0.010935 0.070846 0.185777 0.078487 28O 1f-1 -0.003954 -0.208463 -0.001544 0.002068 0.011089 0.017005 28O 1f+2 -0.091541 -0.130850 0.033750 -0.068361 -0.211407 -0.094262 28O 1f-2 -0.062014 0.136709 -0.026766 0.019995 0.078145 0.027970 28O 1f+3 -0.054448 -0.057881 0.007750 -0.022422 -0.064164 0.007498 28O 1f-3 -0.009643 0.051196 -0.026385 0.012140 0.076641 0.021654 29O 1s -0.001340 -0.002538 -0.011769 0.007972 -0.003156 0.001016 29O 2s -0.003889 -0.007393 -0.040561 0.027474 -0.009820 0.003485 29O 3s 0.040171 0.077014 0.578847 -0.392267 0.122788 -0.049192 29O 4s -0.144771 -0.263294 -1.362906 0.944652 -0.261383 0.114250 29O 5s 0.388848 0.657629 0.077259 -0.160328 -0.023780 -0.005275 29O 1pz 0.016309 -0.012662 -0.027511 0.019493 0.001512 -0.004946 29O 1px 0.002012 -0.007120 0.049862 -0.038554 -0.012694 -0.008007 29O 1py -0.003645 0.004387 -0.097654 0.063621 -0.018158 0.011813 29O 2pz -0.082250 0.060087 0.178442 -0.121749 0.015743 0.008659 29O 2px -0.010794 0.042279 -0.344061 0.243666 0.001921 0.040597 29O 2py 0.007277 -0.022716 0.562812 -0.370555 0.099689 -0.055673 29O 3pz 0.082948 -0.000158 -0.014858 -0.001898 0.018731 -0.003343 29O 3px -0.103028 -0.235495 0.068464 -0.012684 -0.036491 0.002061 29O 3py -0.121496 -0.110723 0.069650 -0.036242 0.054303 -0.012603 29O 1dz2 0.012687 0.030827 -0.550934 0.361385 -0.113482 0.068955 29O 1dxz 0.009610 -0.010131 -0.233086 0.160927 0.037202 -0.006959 29O 1dyz 0.030914 -0.020261 -0.036526 0.022869 0.004458 -0.048723 29O 1dx2y2 0.020977 0.014768 -0.313131 0.189359 -0.261641 0.006788 29O 1dxy -0.017699 -0.033101 0.430600 -0.276181 0.094978 0.003057 29O 2dz2 0.007563 -0.032629 0.144146 -0.091356 0.042609 -0.035101 29O 2dxz -0.023303 0.013458 0.008514 -0.006548 -0.038855 0.017314 29O 2dyz 0.011072 -0.012332 -0.020715 0.014407 -0.012453 0.027022 29O 2dx2y2 -0.009883 0.004529 0.223888 -0.140885 0.164295 -0.006204 29O 2dxy 0.020269 0.004269 -0.057416 0.031371 -0.026548 -0.019796 29O 1f0 0.000983 0.001379 0.208513 -0.143664 0.018501 -0.014407 29O 1f+1 -0.006689 -0.007571 -0.059539 0.044028 0.005613 -0.005180 29O 1f-1 -0.020557 -0.007029 0.295351 -0.192870 0.060142 -0.010618 29O 1f+2 0.009262 -0.014306 -0.107491 0.075861 -0.012947 0.020947 29O 1f-2 0.003040 -0.024444 0.181629 -0.118208 0.037113 -0.025740 29O 1f+3 0.000673 0.008843 -0.161662 0.108404 -0.043082 0.013230 29O 1f-3 -0.017964 -0.008759 -0.062011 0.046357 0.005616 0.018461 30O 1s 0.000480 0.003179 -0.000196 0.000495 0.005108 0.004779 30O 2s -0.000167 0.012997 0.000011 0.003596 0.021914 0.021255 30O 3s 0.017380 -0.193737 -0.013943 -0.091209 -0.367854 -0.372410 30O 4s 0.020703 0.512603 0.029096 0.336759 1.039287 1.094973 30O 5s 0.319868 0.169097 0.082416 0.155391 0.073796 0.214509 30O 1pz -0.056256 0.002261 0.001036 0.009953 0.049753 0.043976 30O 1px 0.017454 -0.031501 -0.006891 -0.011682 -0.062399 -0.059126 30O 1py 0.071055 -0.053976 -0.005590 -0.021981 -0.049141 -0.032897 30O 2pz 0.102787 -0.076208 -0.029213 -0.127871 -0.349221 -0.373156 30O 2px -0.036664 0.211785 0.055850 0.172560 0.496304 0.530011 30O 2py -0.117655 0.261497 0.045290 0.172439 0.349903 0.367519 30O 3pz -0.169474 -0.230356 0.076221 0.024358 -0.086773 -0.037116 30O 3px 0.299842 0.130956 0.006923 0.077323 0.049847 0.170537 30O 3py 0.127125 0.016937 -0.068200 -0.008795 0.094749 0.080300 30O 1dz2 -0.068684 -0.001865 0.008490 0.034923 -0.027551 -0.126897 30O 1dxz 0.043692 -0.029181 0.009483 -0.014108 -0.100210 -0.133014 30O 1dyz -0.068713 -0.006604 -0.049966 -0.050832 -0.111465 -0.209710 30O 1dx2y2 0.040061 -0.038229 0.017100 -0.016154 -0.034662 -0.083749 30O 1dxy -0.095129 0.112005 0.016668 0.074507 0.076531 0.003527 30O 2dz2 0.026425 -0.055002 -0.018631 -0.039342 -0.023522 0.013634 30O 2dxz 0.020948 -0.043890 -0.025421 -0.057503 -0.147310 -0.134943 30O 2dyz 0.044110 -0.076025 0.016150 -0.013278 -0.074724 -0.022876 30O 2dx2y2 -0.028494 -0.004933 0.002395 0.029878 0.089422 0.121008 30O 2dxy 0.001659 0.064688 0.017857 0.044563 0.168185 0.237703 30O 1f0 -0.119102 0.136052 0.022482 0.029655 0.105751 0.086668 30O 1f+1 -0.040695 -0.022636 -0.004076 0.002989 0.067777 0.052781 30O 1f-1 -0.083714 -0.065010 -0.024088 -0.023145 0.035443 -0.007712 30O 1f+2 -0.152738 0.038288 -0.021097 -0.025418 -0.047282 -0.089901 30O 1f-2 0.095713 -0.114037 -0.017559 -0.055363 -0.245024 -0.249607 30O 1f+3 -0.062651 0.076297 0.012547 0.046685 0.116712 0.154701 30O 1f-3 -0.067600 -0.040271 -0.021584 -0.048405 -0.148734 -0.205824 31O 1s -0.000505 -0.003214 0.000023 0.000500 0.005133 -0.004774 31O 2s 0.000083 -0.013129 -0.001195 0.003220 0.022024 -0.021238 31O 3s -0.016425 0.195651 0.043147 -0.077950 -0.369886 0.372259 31O 4s -0.022946 -0.518070 -0.138552 0.297610 1.045617 -1.094868 31O 5s -0.320311 -0.173875 -0.117707 0.109935 0.081252 -0.215469 31O 1pz -0.056153 0.002405 0.004361 -0.008879 -0.049847 0.044012 31O 1px 0.017270 -0.031786 -0.010436 0.008120 0.062644 -0.059060 31O 1py 0.071163 -0.054032 -0.013001 0.018588 0.049196 -0.032858 31O 2pz 0.102231 -0.077972 -0.069431 0.107255 0.351363 -0.373505 31O 2px -0.035860 0.214170 0.109085 -0.137736 -0.499571 0.529964 31O 2py -0.117648 0.263114 0.100510 -0.143378 -0.351978 0.367539 31O 3pz -0.170407 -0.232239 0.082215 0.003658 0.088264 -0.037035 31O 3px 0.300601 0.133604 0.029609 -0.068381 -0.052542 0.171120 31O 3py 0.128447 0.019201 -0.067382 -0.016203 -0.095122 0.080044 31O 1dz2 0.069295 0.002512 -0.020892 0.030397 -0.028848 0.127165 31O 1dxz -0.043349 0.029577 -0.005403 -0.015246 -0.102208 0.133520 31O 1dyz 0.069032 0.007426 0.063810 -0.028660 -0.111960 0.209448 31O 1dx2y2 -0.039939 0.038033 -0.010851 -0.020871 -0.035697 0.084277 31O 1dxy 0.095507 -0.111963 -0.041502 0.063321 0.076380 -0.003376 31O 2dz2 -0.026707 0.054739 0.031524 -0.030295 -0.022964 -0.013890 31O 2dxz -0.020899 0.044568 0.043224 -0.044174 -0.147427 0.134736 31O 2dyz -0.043969 0.076500 -0.011156 -0.017729 -0.075383 0.023051 31O 2dx2y2 0.028537 0.004953 -0.011985 0.026504 0.090453 -0.121333 31O 2dxy -0.001999 -0.065565 -0.031220 0.034336 0.169445 -0.237728 31O 1f0 -0.119208 0.136088 0.031736 -0.019496 -0.105709 0.086438 31O 1f+1 -0.040462 -0.022225 -0.003396 -0.004004 -0.068044 0.052859 31O 1f-1 -0.083444 -0.064639 -0.031177 0.013365 -0.035745 -0.007593 31O 1f+2 -0.152764 0.037961 -0.028226 0.016010 0.047523 -0.089897 31O 1f-2 0.095258 -0.114909 -0.035397 0.044770 0.245868 -0.249521 31O 1f+3 -0.062225 0.076791 0.028257 -0.039039 -0.116929 0.154629 31O 1f-3 -0.067743 -0.040804 -0.036594 0.036819 0.149655 -0.205876 32O 1s 0.001310 0.002553 0.008092 0.011643 -0.003167 -0.001078 32O 2s 0.003802 0.007440 0.027905 0.040141 -0.009864 -0.003697 32O 3s -0.039392 -0.077503 -0.398403 -0.573229 0.123469 0.051980 32O 4s 0.143009 0.264164 0.930742 1.369690 -0.263086 -0.120712 32O 5s -0.384321 -0.658269 -0.014221 -0.177931 -0.023508 0.008040 32O 1pz 0.015990 -0.012904 -0.017167 -0.025979 -0.001749 -0.004999 32O 1px 0.001777 -0.006922 0.033196 0.054541 0.012570 -0.008296 32O 1py -0.003382 0.004079 -0.068279 -0.094475 0.018255 0.012157 32O 2pz -0.080083 0.061284 0.114288 0.165514 -0.014359 0.008963 32O 2px -0.009843 0.041794 -0.236175 -0.354668 -0.001042 0.042214 32O 2py 0.005867 -0.021132 0.392196 0.548283 -0.100509 -0.057532 32O 3pz 0.082936 -0.000440 -0.014067 -0.003331 -0.018118 -0.003309 32O 3px -0.102576 -0.234620 0.059523 0.036167 0.036841 0.002393 32O 3py -0.120106 -0.111523 0.052043 0.059018 -0.054559 -0.012367 32O 1dz2 -0.010926 -0.031520 0.383154 0.533903 -0.113821 -0.072135 32O 1dxz -0.009303 0.009345 0.164049 0.239322 0.034908 0.005536 32O 1dyz -0.031185 0.019360 0.046713 0.062883 -0.005386 0.045515 32O 1dx2y2 -0.020666 -0.015990 0.227205 0.294125 -0.264091 -0.009376 32O 1dxy 0.018038 0.032470 -0.296035 -0.403903 0.092985 -0.003366 32O 2dz2 -0.006742 0.032075 -0.101182 -0.136508 0.042625 0.036096 32O 2dxz 0.023293 -0.013766 -0.006967 -0.010601 -0.037872 -0.017138 32O 2dyz -0.010468 0.013317 0.006958 0.011171 -0.007780 -0.025624 32O 2dx2y2 0.010164 -0.004569 -0.159362 -0.213776 0.165740 0.007692 32O 2dxy -0.019676 -0.004410 0.040514 0.047716 -0.025465 0.020344 32O 1f0 0.001376 0.001700 0.130937 0.192002 -0.015564 -0.015011 32O 1f+1 -0.006318 -0.007019 -0.047748 -0.073941 -0.003583 -0.003210 32O 1f-1 -0.019902 -0.007252 0.211932 0.294400 -0.061474 -0.012346 32O 1f+2 0.009283 -0.014462 -0.082552 -0.122787 0.015472 0.022622 32O 1f-2 0.002506 -0.024800 0.125442 0.173093 -0.037897 -0.026382 32O 1f+3 0.001419 0.008318 -0.107440 -0.153020 0.042311 0.012913 32O 1f-3 -0.017921 -0.008345 -0.040500 -0.064283 -0.005283 0.018366 33O 1s -0.001528 -0.003782 -0.000526 0.001878 0.004221 -0.001734 33O 2s -0.006370 -0.017349 -0.001233 0.007880 0.019016 -0.007728 33O 3s 0.097308 0.276598 0.003434 -0.130622 -0.336274 0.136046 33O 4s -0.258578 -0.682944 -0.004518 0.377695 0.986282 -0.403380 33O 5s -0.160205 -0.066619 0.196677 -0.010370 0.145588 -0.106584 33O 1pz 0.037093 0.105047 -0.000974 -0.018964 -0.060737 0.017536 33O 1px -0.003253 -0.069655 0.007374 0.020195 0.062817 -0.023626 33O 1py -0.028246 0.047071 0.000554 -0.006120 -0.011276 0.000881 33O 2pz -0.192165 -0.407857 0.030045 0.144205 0.446480 -0.178896 33O 2px 0.076184 0.374441 -0.061219 -0.169747 -0.532200 0.214104 33O 2py 0.087298 -0.140510 0.007543 0.030437 0.064710 -0.017213 33O 3pz 0.027298 -0.031659 -0.139697 0.195521 -0.009607 0.010938 33O 3px 0.160402 -0.009218 0.015803 -0.076770 -0.057698 0.080254 33O 3py -0.127338 -0.001635 -0.026532 0.057542 -0.003699 -0.022749 33O 1dz2 -0.045633 -0.039032 -0.003066 0.010901 0.078335 -0.177292 33O 1dxz 0.051661 0.160771 -0.007839 -0.058149 -0.135225 -0.073254 33O 1dyz 0.030560 0.084451 0.035311 0.010573 0.054590 -0.021345 33O 1dx2y2 -0.000906 0.012302 0.000839 0.010440 0.041007 -0.199335 33O 1dxy -0.003451 0.151730 0.022909 -0.005153 -0.055107 0.056140 33O 2dz2 -0.050040 -0.036470 -0.006650 0.002024 -0.015745 0.095060 33O 2dxz 0.050559 0.142114 -0.010443 -0.068620 -0.197243 0.156676 33O 2dyz -0.001582 -0.096810 -0.007041 0.002943 -0.009059 0.002306 33O 2dx2y2 -0.024681 -0.102272 0.013542 0.050121 0.140112 0.048831 33O 2dxy -0.024745 -0.006389 -0.024018 -0.015364 -0.013980 -0.015156 33O 1f0 -0.090536 0.045961 -0.029758 -0.038971 -0.076903 0.080704 33O 1f+1 0.085258 0.233824 0.014925 -0.069403 -0.184255 0.077398 33O 1f-1 -0.004791 -0.208469 -0.000572 -0.002137 -0.010634 0.016812 33O 1f+2 -0.091930 -0.132107 0.007154 0.075294 0.210193 -0.093609 33O 1f-2 -0.060852 0.138098 -0.017775 -0.028710 -0.078105 0.027991 33O 1f+3 -0.054814 -0.058527 -0.000639 0.023357 0.063887 0.007638 33O 1f-3 -0.008812 0.052506 -0.020191 -0.020880 -0.076451 0.021524 34O 1s 0.002408 0.002872 -0.000192 0.002157 0.004332 -0.004643 34O 2s 0.011717 0.011354 -0.001971 0.008619 0.019443 -0.020857 34O 3s -0.190569 -0.173973 0.052498 -0.136961 -0.342282 0.368660 34O 4s 0.461938 0.508528 -0.152940 0.397990 0.998743 -1.086035 34O 5s -0.109322 0.363686 -0.189782 -0.027094 0.135665 -0.212892 34O 1pz -0.025896 -0.021439 -0.004472 0.000410 0.001706 -0.011506 34O 1px -0.096633 -0.030006 0.021042 -0.023209 -0.086959 0.078520 34O 1py 0.068002 -0.013341 -0.004856 0.009103 0.023297 -0.014809 34O 2pz 0.038130 0.083495 0.024428 -0.007269 -0.038774 0.051009 34O 2px 0.378966 0.303689 -0.170473 0.201797 0.690714 -0.728267 34O 2py -0.176759 -0.025286 0.039123 -0.054387 -0.145282 0.149228 34O 3pz 0.011223 -0.170503 0.041355 0.101578 -0.022186 0.016182 34O 3px -0.120076 0.277433 0.024951 0.237850 0.041829 -0.201931 34O 3py -0.006923 -0.103178 -0.023095 -0.153672 -0.000257 0.017687 34O 1dz2 -0.000422 -0.018688 0.040326 -0.027788 -0.069934 -0.032439 34O 1dxz 0.051452 0.026321 0.005526 0.005872 0.036388 -0.015784 34O 1dyz 0.176124 -0.003348 0.032782 0.005785 -0.007086 0.228497 34O 1dx2y2 0.088756 0.050405 -0.007331 0.041066 0.098755 -0.166597 34O 1dxy -0.098403 -0.029582 0.018361 -0.026989 -0.132924 0.191464 34O 2dz2 -0.085899 -0.052554 0.016964 -0.040606 -0.119383 0.197341 34O 2dxz -0.022971 0.032522 0.018438 -0.009097 -0.050348 0.038126 34O 2dyz -0.072227 -0.023765 -0.024998 0.004872 0.022535 -0.151282 34O 2dx2y2 0.085668 0.078348 -0.054125 0.066279 0.209586 -0.199775 34O 2dxy -0.052590 -0.042317 0.023706 -0.025454 -0.037516 0.009049 34O 1f0 -0.095004 -0.017144 -0.021365 0.000183 0.008666 -0.023503 34O 1f+1 -0.156071 -0.022097 0.044699 -0.061249 -0.171697 0.211568 34O 1f-1 0.068623 -0.041809 -0.014082 0.020099 0.045808 -0.044856 34O 1f+2 -0.034553 0.007639 0.017531 0.012770 0.020195 -0.047632 34O 1f-2 -0.117044 -0.028820 -0.034264 0.011385 0.045306 -0.108103 34O 1f+3 0.007543 -0.135101 0.030971 -0.060404 -0.180110 0.226143 34O 1f-3 0.237506 0.046748 -0.047155 0.059757 0.195585 -0.187068 35O 1s 0.001981 0.002729 -0.000373 0.000371 0.004964 -0.001573 35O 2s 0.007892 0.008942 -0.000897 0.002850 0.021367 -0.007230 35O 3s -0.119997 -0.118257 0.004617 -0.072368 -0.360911 0.129011 35O 4s 0.350206 0.387660 -0.023701 0.267684 1.024278 -0.376919 35O 5s 0.155671 0.439308 -0.001967 0.048298 0.148183 -0.091601 35O 1pz 0.012194 0.030935 0.000323 -0.006656 -0.010584 0.007490 35O 1px -0.007176 0.016866 -0.004314 -0.015966 -0.082057 0.032212 35O 1py -0.041851 0.038959 -0.006099 -0.018039 -0.034090 -0.000837 35O 2pz -0.021509 0.001719 0.004117 0.036361 0.053454 -0.038248 35O 2px 0.132430 0.121505 0.027070 0.183599 0.636341 -0.255807 35O 2py 0.201494 -0.001939 0.027642 0.118305 0.261051 -0.078861 35O 3pz 0.090250 -0.012844 -0.078289 -0.056182 0.082264 0.059708 35O 3px 0.221981 0.443866 -0.072968 0.012531 0.127530 -0.028398 35O 3py -0.059844 0.188114 -0.041594 0.014114 0.083160 -0.090683 35O 1dz2 -0.038208 0.035390 0.035205 0.003057 -0.065534 0.006988 35O 1dxz 0.002474 -0.035100 0.005299 0.054673 0.066679 -0.008900 35O 1dyz -0.005465 0.092424 -0.002594 -0.022860 0.064692 -0.068521 35O 1dx2y2 -0.020242 0.038118 0.020773 0.014852 0.061243 -0.010525 35O 1dxy 0.051108 0.006867 0.027071 0.063969 0.113577 -0.076394 35O 2dz2 -0.033084 -0.019391 -0.030794 -0.053287 -0.128801 0.067695 35O 2dxz -0.002000 0.053141 -0.010702 -0.020577 0.014395 -0.002847 35O 2dyz 0.022582 -0.006609 -0.001832 0.007254 -0.023633 0.035780 35O 2dx2y2 0.004043 0.012403 -0.005071 0.035111 0.160156 -0.054472 35O 2dxy 0.075137 0.023297 -0.000407 0.032759 0.138621 -0.050576 35O 1f0 -0.030984 0.062385 0.005612 -0.009228 -0.085420 0.011360 35O 1f+1 -0.102903 -0.056450 -0.035141 -0.059458 -0.156216 0.092262 35O 1f-1 -0.052337 -0.048057 -0.016432 -0.042794 -0.091557 0.065458 35O 1f+2 -0.075187 0.030206 -0.013083 0.013079 0.101925 -0.030101 35O 1f-2 0.014007 -0.126870 -0.008596 -0.002426 0.055442 -0.003435 35O 1f+3 0.078079 -0.109631 0.007178 0.018265 -0.049678 -0.016914 35O 1f-3 -0.044592 0.018220 -0.010711 -0.054204 -0.225362 0.092856 684 685 686 687 688 689 6.30923 6.31123 6.34965 6.37839 6.38172 6.40982 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s 0.000006 0.000145 0.000002 -0.000033 -0.000215 0.000024 0Rh 2s 0.000060 -0.000832 -0.000054 0.000212 0.001292 -0.000137 0Rh 3s 0.000071 0.000389 -0.000019 -0.000075 -0.000545 0.000064 0Rh 4s -0.000319 0.005498 0.000310 -0.001389 -0.008552 0.000903 0Rh 5s 0.001055 -0.015215 -0.000817 0.003885 0.024037 -0.002459 0Rh 6s -0.002376 0.017754 0.001030 -0.004750 -0.029253 0.002645 0Rh 7s 0.012062 -0.034935 -0.000072 0.008571 0.073288 -0.006185 0Rh 8s 0.011515 -0.022316 -0.002137 0.010321 0.008315 -0.003712 0Rh 1pz -0.020723 -0.018106 -0.000089 0.007592 -0.004704 -0.008204 0Rh 1px -0.005160 -0.000640 -0.000330 0.004228 0.000435 -0.003196 0Rh 1py -0.005053 -0.036454 -0.001613 -0.005642 -0.010769 0.000676 0Rh 2pz 0.086759 0.075794 0.000352 -0.031416 0.019385 0.034625 0Rh 2px 0.021578 0.002633 0.001378 -0.017534 -0.001813 0.013491 0Rh 2py 0.021168 0.152635 0.006747 0.023352 0.044726 -0.002864 0Rh 3pz -0.286774 -0.250299 -0.000724 0.095170 -0.056938 -0.119487 0Rh 3px -0.070834 -0.007750 -0.004538 0.054040 0.005750 -0.046627 0Rh 3py -0.070259 -0.504824 -0.022175 -0.070868 -0.139184 0.010028 0Rh 4pz 0.380443 0.331558 -0.000703 -0.091935 0.048006 0.169492 0Rh 4px 0.092465 0.007390 0.005942 -0.056041 -0.006359 0.066620 0Rh 4py 0.094065 0.670411 0.028691 0.069222 0.149493 -0.014068 0Rh 5pz -0.224375 -0.196213 0.004325 -0.041010 0.046943 -0.108589 0Rh 5px -0.052137 0.000053 -0.003234 -0.012038 -0.002998 -0.044230 0Rh 5py -0.056824 -0.397129 -0.013621 0.028009 0.013902 0.007518 0Rh 6pz 0.142837 0.124309 0.051717 0.347592 -0.320499 0.299445 0Rh 6px 0.020762 0.038566 0.024601 0.189915 0.081185 0.132996 0Rh 6py 0.037450 0.267636 -0.025252 -0.302347 -0.480414 -0.076048 0Rh 1dz2 -0.001205 -0.001546 -0.006927 -0.007330 0.006150 0.008432 0Rh 1dxz 0.001393 0.000928 -0.000815 0.011471 -0.007885 -0.009380 0Rh 1dyz 0.000307 -0.000293 -0.019740 0.003427 0.003764 0.001213 0Rh 1dx2y2 0.000573 0.000522 -0.003264 0.006597 0.000734 -0.003859 0Rh 1dxy 0.000253 0.002639 -0.008269 -0.007526 -0.011799 0.003582 0Rh 2dz2 0.000558 0.000717 0.003298 0.002957 -0.002476 -0.003175 0Rh 2dxz -0.000946 -0.000833 0.000261 -0.004553 0.003195 0.003828 0Rh 2dyz -0.000196 0.000117 0.009113 -0.001338 -0.001545 -0.000540 0Rh 2dx2y2 -0.000213 0.000208 0.001506 -0.002651 -0.000420 0.001608 0Rh 2dxy -0.000154 -0.001631 0.003740 0.002944 0.004615 -0.001462 0Rh 3dz2 0.003832 0.004892 0.022706 0.025861 -0.021770 -0.030999 0Rh 3dxz -0.002916 -0.000959 0.003113 -0.040861 0.027853 0.032978 0Rh 3dyz -0.000709 0.001033 0.065721 -0.012228 -0.013281 -0.004093 0Rh 3dx2y2 -0.002106 -0.003899 0.010826 -0.023299 -0.002042 0.013368 0Rh 3dxy -0.000630 -0.006377 0.027849 0.027016 0.042328 -0.012588 0Rh 4dz2 -0.007467 -0.009372 -0.055678 -0.055945 0.047347 0.067852 0Rh 4dxz 0.003227 -0.001200 -0.006063 0.088519 -0.060487 -0.069763 0Rh 4dyz 0.001153 -0.001880 -0.158060 0.025816 0.029832 0.009063 0Rh 4dx2y2 0.004822 0.011122 -0.025480 0.050174 0.004402 -0.028019 0Rh 4dxy 0.001109 0.009637 -0.066550 -0.059071 -0.091523 0.026787 0Rh 5dz2 0.000610 0.001954 0.096157 0.077945 -0.065439 -0.088362 0Rh 5dxz 0.019905 0.030265 0.004836 -0.124177 0.086222 0.079542 0Rh 5dyz -0.000987 -0.009048 0.262037 -0.035603 -0.043525 -0.013111 0Rh 5dx2y2 -0.007637 -0.035592 0.040210 -0.070027 -0.007696 0.032012 0Rh 5dxy 0.000886 0.019197 0.109597 0.084511 0.129513 -0.030618 0Rh 1f0 -0.001945 0.005444 -0.004086 0.017921 0.006213 -0.013618 0Rh 1f+1 -0.000772 0.001101 0.005168 0.006980 -0.002264 -0.015008 0Rh 1f-1 0.006153 0.014070 -0.004139 -0.005865 0.023000 0.005929 0Rh 1f+2 -0.005304 -0.001139 -0.004255 0.016532 -0.001067 -0.000720 0Rh 1f-2 0.000674 0.006380 0.011693 0.004320 0.009005 0.003070 0Rh 1f+3 0.002308 -0.000504 -0.000629 -0.007719 0.002049 -0.001279 0Rh 1f-3 -0.001312 -0.002307 -0.006817 -0.000447 -0.006953 0.000369 1Rh 1s -0.000011 -0.000145 0.000005 -0.000037 -0.000218 -0.000030 1Rh 2s -0.000037 0.000825 -0.000070 0.000247 0.001318 0.000174 1Rh 3s -0.000091 -0.000396 -0.000013 -0.000081 -0.000551 -0.000078 1Rh 4s 0.000155 -0.005466 0.000416 -0.001609 -0.008717 -0.001148 1Rh 5s -0.000603 0.015131 -0.001110 0.004519 0.024504 0.003159 1Rh 6s 0.001943 -0.017592 0.001385 -0.005617 -0.029859 -0.003557 1Rh 7s -0.012061 0.034128 -0.000645 0.010421 0.075470 0.009392 1Rh 8s -0.012392 0.021728 -0.003536 0.012375 0.008270 0.003201 1Rh 1pz -0.020601 -0.018158 -0.000030 -0.007582 0.004701 -0.008454 1Rh 1px -0.005196 -0.000654 0.000322 -0.004254 -0.000514 -0.003275 1Rh 1py -0.004993 -0.036489 0.001689 0.005629 0.010819 0.001091 1Rh 2pz 0.086246 0.076010 0.000147 0.031373 -0.019373 0.035675 1Rh 2px 0.021732 0.002691 -0.001347 0.017645 0.002144 0.013817 1Rh 2py 0.020918 0.152783 -0.007070 -0.023298 -0.044934 -0.004605 1Rh 3pz -0.285039 -0.251024 -0.000925 -0.095014 0.056918 -0.122965 1Rh 3px -0.071374 -0.007953 0.004410 -0.054397 -0.006866 -0.047661 1Rh 3py -0.069413 -0.505320 0.023289 0.070677 0.139886 0.015793 1Rh 4pz 0.378021 0.332536 0.002887 0.091687 -0.048045 0.174072 1Rh 4px 0.093288 0.007702 -0.005696 0.056475 0.007897 0.067805 1Rh 4py 0.092874 0.671084 -0.030283 -0.068941 -0.150452 -0.021633 1Rh 5pz -0.222817 -0.196767 -0.005611 0.041246 -0.046758 -0.110829 1Rh 5px -0.052817 -0.000199 0.002921 0.011938 0.001965 -0.044228 1Rh 5py -0.056048 -0.397524 0.014706 -0.028207 -0.013336 0.011173 1Rh 6pz 0.144170 0.125003 -0.050251 -0.349128 0.318505 0.287938 1Rh 6px 0.020430 0.038059 -0.023337 -0.191631 -0.077341 0.123343 1Rh 6py 0.039887 0.269343 0.021388 0.303134 0.480242 -0.058882 1Rh 1dz2 0.001256 0.001599 -0.006942 -0.007300 0.006234 -0.008230 1Rh 1dxz -0.001377 -0.000911 -0.000820 0.011419 -0.007921 0.009318 1Rh 1dyz -0.000297 0.000330 -0.019746 0.003495 0.003820 -0.001079 1Rh 1dx2y2 -0.000612 -0.000520 -0.003208 0.006544 0.000741 0.003799 1Rh 1dxy -0.000234 -0.002596 -0.008350 -0.007464 -0.011787 -0.003297 1Rh 2dz2 -0.000577 -0.000735 0.003304 0.002938 -0.002504 0.003080 1Rh 2dxz 0.000944 0.000827 0.000264 -0.004538 0.003209 -0.003803 1Rh 2dyz 0.000192 -0.000128 0.009117 -0.001364 -0.001568 0.000492 1Rh 2dx2y2 0.000221 -0.000214 0.001488 -0.002630 -0.000418 -0.001578 1Rh 2dxy 0.000144 0.001613 0.003773 0.002921 0.004611 0.001334 1Rh 3dz2 -0.004020 -0.005093 0.022759 0.025794 -0.022095 0.030346 1Rh 3dxz 0.002840 0.000896 0.003131 -0.040649 0.027980 -0.032758 1Rh 3dyz 0.000678 -0.001185 0.065737 -0.012473 -0.013478 0.003574 1Rh 3dx2y2 0.002276 0.003912 0.010605 -0.023107 -0.002095 -0.013186 1Rh 3dxy 0.000571 0.006226 0.028134 0.026789 0.042279 0.011635 1Rh 4dz2 0.007871 0.009820 -0.055793 -0.055870 0.048075 -0.066482 1Rh 4dxz -0.003058 0.001323 -0.006105 0.088023 -0.060762 0.069294 1Rh 4dyz -0.001080 0.002262 -0.158114 0.026330 0.030259 -0.007765 1Rh 4dx2y2 -0.005181 -0.011137 -0.024968 0.049785 0.004564 0.027686 1Rh 4dxy -0.000972 -0.009293 -0.067140 -0.058577 -0.091406 -0.024777 1Rh 5dz2 -0.001118 -0.002644 0.096455 0.078354 -0.066414 0.086819 1Rh 5dxz -0.020064 -0.030425 0.004938 -0.123334 0.086525 -0.079130 1Rh 5dyz 0.000961 0.008326 0.262345 -0.035766 -0.043966 0.010823 1Rh 5dx2y2 0.008034 0.035581 0.039278 -0.069715 -0.008026 -0.031899 1Rh 5dxy -0.001043 -0.019732 0.110226 0.083953 0.129416 0.028477 1Rh 1f0 -0.001927 0.005473 0.004030 -0.017910 -0.006167 -0.013682 1Rh 1f+1 -0.000740 0.001065 -0.005198 -0.006914 0.002294 -0.014994 1Rh 1f-1 0.006182 0.014072 0.004153 0.005859 -0.023016 0.005929 1Rh 1f+2 -0.005348 -0.001154 0.004175 -0.016491 0.001042 -0.000656 1Rh 1f-2 0.000691 0.006372 -0.011682 -0.004378 -0.009029 0.003141 1Rh 1f+3 0.002291 -0.000535 0.000622 0.007730 -0.002014 -0.001331 1Rh 1f-3 -0.001290 -0.002328 0.006876 0.000447 0.007010 0.000405 2C 1s 0.000758 0.001227 -0.002050 -0.000045 0.000206 -0.000317 2C 2s 0.004356 0.007650 -0.005296 -0.000244 0.000402 -0.000011 2C 3s -0.154056 -0.265695 -0.047515 0.007240 -0.002360 -0.075829 2C 4s 0.774253 1.323016 0.345377 -0.038082 -0.013267 0.407692 2C 5s -0.331309 -0.548900 0.810722 0.051965 -0.057765 0.045897 2C 1pz -0.029924 -0.058630 0.014145 0.000864 0.001530 -0.001216 2C 1px -0.001596 -0.008181 -0.000614 0.000124 -0.003087 0.002705 2C 1py -0.023580 -0.032750 0.010797 0.000117 -0.001093 -0.017238 2C 2pz 0.374837 0.729681 0.190773 0.020252 -0.023509 0.202333 2C 2px 0.013087 0.068396 0.094783 0.013053 -0.002842 0.019265 2C 2py 0.344560 0.430113 0.113479 -0.053060 -0.040236 0.251773 2C 3pz -0.011509 -0.048828 0.185299 -0.009636 0.000058 0.037103 2C 3px 0.019293 0.034317 0.019789 0.013870 0.000785 0.007385 2C 3py -0.035786 -0.019166 0.115762 0.014709 0.002007 0.012465 2C 1dz2 0.004453 -0.001523 0.023123 0.000305 -0.007081 0.021751 2C 1dxz 0.005451 -0.006195 0.014195 -0.007106 0.004669 0.012743 2C 1dyz 0.003463 0.009458 0.033756 0.001917 -0.003059 0.009458 2C 1dx2y2 0.006375 0.001365 -0.016718 -0.004108 -0.000016 0.002574 2C 1dxy -0.000052 0.008007 0.004131 0.001396 0.006552 -0.002882 2C 2dz2 0.104664 0.166921 0.033817 -0.028611 -0.028135 0.021786 2C 2dxz 0.095604 0.147365 -0.046871 -0.015814 0.014691 0.009723 2C 2dyz 0.108619 0.189253 0.077805 0.014260 -0.010814 0.114899 2C 2dx2y2 -0.061002 -0.096145 0.014889 -0.004215 -0.008177 -0.043943 2C 2dxy 0.006926 0.054003 0.011003 0.014688 0.018319 -0.007244 2C 1f0 0.016467 -0.007520 0.014014 -0.023307 -0.023259 0.004981 2C 1f+1 -0.025511 -0.010399 0.028872 0.018590 0.017468 0.009683 2C 1f-1 0.020263 0.060188 0.004607 0.015493 0.001947 0.016933 2C 1f+2 -0.009517 0.000221 -0.027395 0.009765 0.006879 -0.014595 2C 1f-2 0.031381 0.023763 0.003355 -0.026127 0.010713 -0.000384 2C 1f+3 0.027329 -0.004284 -0.006258 -0.030650 -0.010029 0.004226 2C 1f-3 -0.012913 -0.029088 0.024406 -0.001326 -0.009872 0.000890 3C 1s 0.000047 -0.001058 0.001995 0.000102 -0.000042 -0.001267 3C 2s 0.001394 -0.004798 0.005169 0.000008 -0.000428 -0.001177 3C 3s -0.052683 0.164902 0.049209 0.016359 0.007859 -0.072491 3C 4s 0.267135 -0.819631 -0.354744 -0.080996 -0.040253 0.387212 3C 5s -0.068016 0.424722 -0.811227 0.138650 0.132185 0.138069 3C 1pz -0.003461 0.030740 -0.010752 -0.001428 0.001527 0.008898 3C 1px -0.001946 0.011707 -0.002873 0.003583 0.001337 -0.001276 3C 1py 0.015363 -0.023891 0.012499 0.000693 -0.001330 0.013751 3C 2pz 0.084641 -0.392725 -0.071434 0.005132 -0.043101 0.005424 3C 2px 0.045857 -0.154500 -0.116626 -0.003146 -0.034033 0.078956 3C 2py -0.136890 0.363167 0.206502 0.034740 -0.023442 -0.246167 3C 3pz -0.004750 0.060985 -0.108826 0.005922 0.018889 0.045905 3C 3px -0.009273 0.001253 -0.056946 0.008159 0.025624 0.008161 3C 3py -0.001201 -0.008109 0.179739 -0.017954 -0.014920 -0.036099 3C 1dz2 -0.000639 0.006741 0.002478 0.002053 0.002019 0.005099 3C 1dxz -0.000305 0.005307 -0.015422 -0.005769 0.001167 0.013137 3C 1dyz -0.000609 0.000688 0.026813 -0.000844 -0.007215 -0.017854 3C 1dx2y2 0.003163 0.009646 0.025582 -0.004060 -0.001117 0.000783 3C 1dxy -0.001915 0.006569 0.021972 0.005860 0.006648 -0.006911 3C 2dz2 -0.031982 -0.011426 0.012953 0.005964 0.006277 -0.061125 3C 2dxz 0.012176 -0.076811 0.008652 -0.017210 -0.002806 -0.003263 3C 2dyz -0.009096 0.095929 0.093050 0.005573 -0.016670 -0.067902 3C 2dx2y2 -0.066567 0.120739 0.000281 -0.015495 0.026660 -0.031001 3C 2dxy -0.021910 0.107871 0.005999 0.020136 0.002567 -0.017431 3C 1f0 -0.027395 0.036022 -0.011658 -0.011293 0.026767 0.001325 3C 1f+1 0.006738 0.007375 -0.020640 0.011439 -0.015105 0.012619 3C 1f-1 0.018746 -0.001797 -0.000231 0.000645 -0.023368 0.005553 3C 1f+2 -0.000293 0.021460 0.004638 0.001465 -0.016287 -0.019437 3C 1f-2 -0.013827 0.015206 0.024943 0.006657 0.023841 -0.020866 3C 1f+3 -0.017485 0.003478 -0.022571 -0.022813 0.021638 0.015035 3C 1f-3 0.000805 -0.009240 0.024509 -0.014713 -0.004848 -0.006634 4C 1s -0.028984 -0.053369 0.053543 0.001853 -0.001515 0.003358 4C 2s -0.042866 -0.078811 0.077716 0.002796 -0.002322 0.003136 4C 3s 0.204712 0.369905 0.032308 0.004691 -0.006279 0.127601 4C 4s 0.300759 0.597672 -2.558085 -0.112144 0.092094 -0.683567 4C 5s 0.138284 0.200463 0.124828 -0.044405 -0.018074 0.050132 4C 1pz 0.037301 0.076799 -0.135770 0.002148 -0.008129 -0.018923 4C 1px 0.008094 0.016229 -0.020310 -0.020562 0.048120 -0.000359 4C 1py 0.027534 0.049641 -0.088454 -0.005857 0.013330 -0.008181 4C 2pz 0.742438 1.291888 -0.595880 -0.087185 0.141705 0.197816 4C 2px 0.182021 0.234577 -0.136671 0.134511 -0.459859 0.060510 4C 2py 0.503390 0.914375 -0.421651 -0.012303 -0.091269 -0.020532 4C 3pz -0.004103 -0.027361 0.781295 0.007499 -0.008920 0.098950 4C 3px 0.003364 0.003753 0.167092 -0.043578 0.019305 0.016133 4C 3py 0.005421 -0.009678 0.542829 -0.012886 0.001293 0.078499 4C 1dz2 -0.053547 -0.137094 0.141595 -0.011872 0.003762 0.035970 4C 1dxz -0.119190 -0.209584 0.244550 0.034824 -0.023882 0.041404 4C 1dyz 0.013225 0.059670 -0.046566 0.016440 0.008480 -0.022890 4C 1dx2y2 0.168369 0.328780 -0.381379 0.010460 0.020501 -0.003840 4C 1dxy 0.108013 0.144654 -0.174147 -0.038561 -0.030922 -0.017699 4C 2dz2 -0.173099 -0.222460 0.021683 -0.031009 0.080226 -0.107791 4C 2dxz -0.124460 -0.210159 0.112202 0.077163 -0.120823 -0.053472 4C 2dyz -0.128303 -0.255627 -0.182943 0.007597 0.033752 -0.091378 4C 2dx2y2 0.182234 0.336253 -0.241727 -0.017524 -0.006338 -0.046471 4C 2dxy 0.029460 0.061174 -0.184755 0.016320 -0.101519 -0.060038 4C 1f0 -0.013372 -0.105346 0.111740 -0.066105 -0.013118 -0.012967 4C 1f+1 -0.157673 -0.180505 0.238428 0.081462 -0.006147 0.001710 4C 1f-1 -0.034350 -0.008860 0.089290 0.032235 0.047056 0.039354 4C 1f+2 0.068434 0.174540 -0.210124 0.017374 0.045073 -0.020923 4C 1f-2 0.029591 -0.026599 0.023884 -0.021966 -0.081173 0.063740 4C 1f+3 0.055878 0.017297 -0.013024 -0.088186 -0.021102 -0.068206 4C 1f-3 -0.083622 -0.206885 0.201108 -0.030349 0.024814 0.096802 5C 1s -0.012128 0.028048 -0.052106 -0.001703 0.004573 0.004750 5C 2s -0.017713 0.041645 -0.075671 -0.002369 0.006532 0.005356 5C 3s 0.076180 -0.214569 -0.035801 -0.011387 0.000990 0.118864 5C 4s 0.168474 -0.203567 2.510688 0.130677 -0.216731 -0.672308 5C 5s 0.005409 -0.168337 -0.120204 -0.053360 -0.065621 0.043008 5C 1pz 0.007757 -0.026909 0.077112 0.018007 0.000662 -0.008946 5C 1px 0.007181 -0.015210 0.051626 -0.044189 -0.021960 -0.010495 5C 1py -0.019103 0.031395 -0.130033 -0.014157 0.005400 0.012758 5C 2pz 0.183336 -0.407958 0.366112 -0.145495 -0.098677 0.128238 5C 2px 0.162869 -0.249694 0.216846 0.453925 0.108601 0.016506 5C 2py -0.249694 0.794336 -0.573976 0.087505 0.111274 -0.003436 5C 3pz 0.003678 0.011228 -0.484251 0.039016 0.034592 0.067845 5C 3px 0.000492 0.005081 -0.276161 -0.018480 0.031175 0.050217 5C 3py 0.012074 -0.013851 0.782820 -0.053943 -0.071735 -0.133055 5C 1dz2 -0.049017 0.124775 -0.214466 -0.024503 0.039366 0.051696 5C 1dxz -0.017697 0.110537 -0.234177 0.019624 -0.013333 0.038881 5C 1dyz -0.033983 0.051939 -0.130676 0.006098 0.015277 -0.001870 5C 1dx2y2 0.079779 -0.145817 0.344759 0.026133 -0.026543 -0.019331 5C 1dxy 0.033957 -0.049366 0.097983 -0.008829 -0.048405 0.007283 5C 2dz2 -0.051802 -0.023061 -0.193193 -0.061664 0.018140 0.006332 5C 2dxz -0.075001 0.118860 -0.128150 0.067495 0.025881 -0.018698 5C 2dyz 0.052725 -0.059254 -0.232250 0.042941 0.027017 0.138120 5C 2dx2y2 0.060456 -0.262427 0.151610 0.081512 -0.017453 -0.025599 5C 2dxy 0.020348 -0.139697 -0.006501 -0.133026 -0.057072 0.043209 5C 1f0 -0.063621 0.053048 -0.052825 -0.000161 0.079842 -0.036946 5C 1f+1 -0.009572 0.035996 -0.148879 -0.011929 -0.063802 -0.028924 5C 1f-1 0.024325 -0.016318 0.015950 0.045611 -0.028307 -0.020917 5C 1f+2 0.031116 0.007896 0.061809 0.026333 -0.024459 0.029488 5C 1f-2 0.003510 -0.065425 0.185515 -0.072758 0.005269 -0.044412 5C 1f+3 -0.091934 0.098236 -0.199208 -0.040267 0.106301 0.036795 5C 1f-3 0.019963 -0.119824 0.226209 0.031701 0.019323 -0.107132 6C 1s 0.012388 -0.027774 -0.052061 -0.001693 0.004589 -0.004481 6C 2s 0.018101 -0.041227 -0.075590 -0.002368 0.006553 -0.004940 6C 3s -0.077444 0.213279 -0.037049 -0.010499 0.000872 -0.118509 6C 4s -0.173821 0.197294 2.513569 0.126932 -0.216527 0.656875 6C 5s -0.006314 0.168831 -0.121412 -0.053559 -0.066373 -0.040262 6C 1pz 0.008075 -0.026481 -0.077043 -0.017999 -0.000763 -0.008345 6C 1px 0.007352 -0.015053 -0.051859 0.044282 0.022162 -0.010328 6C 1py -0.019674 0.030668 0.130014 0.014115 -0.005298 0.011868 6C 2pz 0.185505 -0.405667 -0.364111 0.144261 0.099645 0.129313 6C 2px 0.164900 -0.248806 -0.215840 -0.451492 -0.110038 0.014536 6C 2py -0.253618 0.790983 0.570845 -0.086599 -0.113006 -0.005103 6C 3pz 0.002678 0.009888 0.485860 -0.039953 -0.034667 0.069241 6C 3px -0.001153 0.003324 0.276497 0.018970 -0.032226 0.041734 6C 3py 0.014156 -0.011776 -0.785490 0.055008 0.072293 -0.132045 6C 1dz2 0.050106 -0.123682 -0.214317 -0.024172 0.039359 -0.050680 6C 1dxz 0.018750 -0.109422 -0.234140 0.019328 -0.012903 -0.037210 6C 1dyz 0.034551 -0.051303 -0.130589 0.006058 0.015306 0.002724 6C 1dx2y2 -0.081378 0.144148 0.344682 0.025943 -0.026473 0.018027 6C 1dxy -0.034499 0.048647 0.097648 -0.008849 -0.048248 -0.008582 6C 2dz2 0.052657 0.023817 -0.193079 -0.061169 0.017897 -0.004142 6C 2dxz 0.075362 -0.118302 -0.127518 0.067119 0.026211 0.017213 6C 2dyz -0.052780 0.059671 -0.233279 0.043521 0.026981 -0.137764 6C 2dx2y2 -0.061892 0.261573 0.150553 0.081430 -0.017756 0.022659 6C 2dxy -0.020248 0.139491 -0.007568 -0.132464 -0.057497 -0.039178 6C 1f0 -0.063943 0.052751 0.052666 -0.000002 -0.079652 -0.036622 6C 1f+1 -0.010046 0.035581 0.148954 0.012131 0.063773 -0.029407 6C 1f-1 0.024455 -0.016232 -0.015988 -0.045327 0.028131 -0.021262 6C 1f+2 0.031170 0.008033 -0.062045 -0.026193 0.024180 0.028570 6C 1f-2 0.004097 -0.064764 -0.185586 0.072663 -0.004849 -0.043035 6C 1f+3 -0.092893 0.097293 0.199193 0.039649 -0.105965 0.034755 6C 1f-3 0.020982 -0.118861 -0.226143 -0.031403 -0.018763 -0.106916 7C 1s 0.029126 0.053487 0.053704 0.001858 -0.001514 -0.003642 7C 2s 0.043075 0.078979 0.077948 0.002807 -0.002335 -0.003586 7C 3s -0.205600 -0.371270 0.031313 0.004413 -0.005365 -0.126732 7C 4s -0.302756 -0.595332 -2.560030 -0.111156 0.088237 0.692113 7C 5s -0.139368 -0.204651 0.124227 -0.045373 -0.017306 -0.051378 7C 1pz 0.037587 0.076653 0.135764 -0.002043 0.008186 -0.019656 7C 1px 0.008118 0.016147 0.020217 0.020481 -0.048233 -0.000226 7C 1py 0.027815 0.049765 0.088988 0.005862 -0.013362 -0.008747 7C 2pz 0.744283 1.294392 0.599488 0.087640 -0.141617 0.194605 7C 2px 0.177755 0.237461 0.136393 -0.139674 0.456856 0.057311 7C 2py 0.505458 0.921206 0.423751 0.011764 0.090347 -0.022183 7C 3pz -0.006277 -0.028877 -0.781304 -0.010234 0.008808 0.101233 7C 3px 0.003804 0.004820 -0.167013 0.044217 -0.019384 0.015585 7C 3py 0.004426 -0.010151 -0.544776 0.011640 -0.001320 0.079982 7C 1dz2 0.054030 0.137831 0.142229 -0.011713 0.003498 -0.037179 7C 1dxz 0.119806 0.209687 0.245028 0.035029 -0.023519 -0.042188 7C 1dyz -0.013478 -0.059847 -0.046842 0.016185 0.008489 0.023037 7C 1dx2y2 -0.169369 -0.329441 -0.382472 0.010315 0.020582 0.006198 7C 1dxy -0.108300 -0.145053 -0.174491 -0.038115 -0.030975 0.018102 7C 2dz2 0.171827 0.223900 0.023794 -0.032548 0.079280 0.106061 7C 2dxz 0.126132 0.209842 0.113447 0.078336 -0.120136 0.053827 7C 2dyz 0.128635 0.257257 -0.183384 0.007455 0.033221 0.093839 7C 2dx2y2 -0.182562 -0.338206 -0.241513 -0.017131 -0.006030 0.047899 7C 2dxy -0.028381 -0.062060 -0.184791 0.017975 -0.101577 0.059866 7C 1f0 -0.014104 -0.105718 -0.112009 0.065743 0.013263 -0.011686 7C 1f+1 -0.157989 -0.180748 -0.238759 -0.081015 0.005633 0.001590 7C 1f-1 -0.034328 -0.008884 -0.089367 -0.031876 -0.047272 0.039226 7C 1f+2 0.069103 0.174422 0.210974 -0.016938 -0.044856 -0.022215 7C 1f-2 0.029459 -0.026636 -0.023870 0.021242 0.081118 0.064149 7C 1f+3 0.056276 0.017390 0.013115 0.088491 0.021625 -0.066829 7C 1f-3 -0.083882 -0.207585 -0.201767 0.030303 -0.024714 0.097993 8C 1s -0.000060 0.001041 0.001998 0.000094 -0.000045 0.001247 8C 2s -0.001429 0.004758 0.005163 -0.000001 -0.000437 0.001154 8C 3s 0.053190 -0.164586 0.050176 0.016131 0.008208 0.071526 8C 4s -0.269229 0.818810 -0.359870 -0.079396 -0.041967 -0.381678 8C 5s 0.072447 -0.420783 -0.813343 0.141009 0.134255 -0.138821 8C 1pz -0.003561 0.030603 0.010626 0.001408 -0.001593 0.008846 8C 1px -0.002007 0.011607 0.002743 -0.003534 -0.001370 -0.001546 8C 1py 0.015512 -0.023802 -0.012391 -0.000742 0.001345 0.013641 8C 2pz 0.086203 -0.391838 0.073719 -0.005955 0.044913 0.004367 8C 2px 0.046011 -0.153401 0.118899 0.002708 0.033970 0.081250 8C 2py -0.137734 0.363102 -0.208716 -0.033457 0.023367 -0.242333 8C 3pz -0.005626 0.060497 0.109129 -0.006023 -0.019483 0.045094 8C 3px -0.009025 0.000810 0.057038 -0.008536 -0.025284 0.008829 8C 3py -0.000416 -0.007642 -0.180544 0.018263 0.015097 -0.035957 8C 1dz2 0.000682 -0.006687 0.002533 0.002052 0.002059 -0.004971 8C 1dxz 0.000359 -0.005370 -0.015461 -0.005746 0.001300 -0.013272 8C 1dyz 0.000514 -0.000788 0.026888 -0.000939 -0.007279 0.017438 8C 1dx2y2 -0.003130 -0.009640 0.025670 -0.004122 -0.001007 -0.000979 8C 1dxy 0.001907 -0.006682 0.022083 0.005790 0.006696 0.007066 8C 2dz2 0.032073 0.011541 0.013409 0.005582 0.006294 0.061349 8C 2dxz -0.012315 0.076400 0.008809 -0.017088 -0.002589 0.002298 8C 2dyz 0.008860 -0.096049 0.093820 0.005255 -0.016946 0.065906 8C 2dx2y2 0.066987 -0.119757 0.001556 -0.015475 0.026867 0.030018 8C 2dxy 0.022998 -0.108148 0.006212 0.019565 0.003543 0.018734 8C 1f0 -0.027638 0.035844 0.011555 0.011217 -0.026844 0.001218 8C 1f+1 0.006600 0.007238 0.020521 -0.011464 0.014952 0.012138 8C 1f-1 0.018820 -0.001767 0.000278 -0.000596 0.023403 0.005861 8C 1f+2 -0.000280 0.021414 -0.004749 -0.001421 0.016226 -0.018559 8C 1f-2 -0.013870 0.015376 -0.025128 -0.006664 -0.023833 -0.021102 8C 1f+3 -0.017610 0.003489 0.022678 0.022571 -0.021686 0.015439 8C 1f-3 0.000834 -0.009128 -0.024597 0.014713 0.004827 -0.005723 9C 1s -0.000763 -0.001244 -0.002058 -0.000048 0.000200 0.000365 9C 2s -0.004373 -0.007691 -0.005323 -0.000251 0.000401 0.000080 9C 3s 0.154290 0.266998 -0.046842 0.007280 -0.003028 0.075979 9C 4s -0.774984 -1.329746 0.342149 -0.037811 -0.009871 -0.409646 9C 5s 0.334240 0.556208 0.814103 0.056030 -0.059752 -0.050020 9C 1pz -0.029984 -0.058823 -0.014293 -0.000869 -0.001462 -0.001050 9C 1px -0.001571 -0.008033 0.000669 -0.000192 0.003065 0.002655 9C 1py -0.023643 -0.032919 -0.010871 -0.000041 0.001077 -0.017074 9C 2pz 0.375276 0.734762 -0.187929 -0.020816 0.021763 0.200706 9C 2px 0.011070 0.067613 -0.095444 -0.014310 0.002062 0.020139 9C 2py 0.344785 0.431825 -0.114216 0.052965 0.040257 0.251855 9C 3pz -0.012674 -0.050575 -0.185396 0.008783 0.000113 0.037442 9C 3px 0.020037 0.034198 -0.018874 -0.013270 -0.000636 0.007064 9C 3py -0.035616 -0.018759 -0.116763 -0.015244 -0.002361 0.013392 9C 1dz2 -0.004522 0.001574 0.022983 0.000205 -0.007078 -0.021691 9C 1dxz -0.005272 0.006072 0.014093 -0.006942 0.004743 -0.012692 9C 1dyz -0.003575 -0.009550 0.033839 0.001837 -0.003032 -0.009754 9C 1dx2y2 -0.006535 -0.001154 -0.016851 -0.004226 -0.000111 -0.002613 9C 1dxy 0.000206 -0.008117 0.004180 0.001556 0.006610 0.002807 9C 2dz2 -0.103087 -0.165300 0.034428 -0.028475 -0.027770 -0.021186 9C 2dxz -0.095537 -0.147012 -0.047720 -0.016468 0.014478 -0.008526 9C 2dyz -0.110176 -0.191927 0.077001 0.013882 -0.010612 -0.115085 9C 2dx2y2 0.060735 0.099268 0.015688 -0.005746 -0.008922 0.042328 9C 2dxy -0.007306 -0.055107 0.010439 0.014544 0.018286 0.007526 9C 1f0 0.016467 -0.008363 -0.014114 0.023693 0.023273 0.005313 9C 1f+1 -0.025856 -0.010391 -0.028928 -0.018885 -0.017539 0.009750 9C 1f-1 0.020362 0.060332 -0.004450 -0.015339 -0.001976 0.016742 9C 1f+2 -0.010035 -0.000514 0.027461 -0.009897 -0.006631 -0.015204 9C 1f-2 0.030789 0.023639 -0.003317 0.025676 -0.011024 -0.000004 9C 1f+3 0.027508 -0.003933 0.006368 0.030696 0.009949 0.004193 9C 1f-3 -0.012767 -0.029344 -0.024473 0.001543 0.010059 0.001188 10H 1s 0.013134 0.026131 -0.028285 0.002952 0.004959 -0.001979 10H 2s 0.060670 0.078603 -0.061913 -0.008799 0.007557 0.005801 10H 3s 0.025866 0.039170 -0.018394 -0.015591 0.012732 0.009279 10H 1pz -0.004677 -0.017589 0.004179 -0.002960 -0.000238 0.004072 10H 1px -0.017232 -0.030215 0.025210 -0.002563 -0.003803 -0.000262 10H 1py -0.000046 -0.011395 0.002378 -0.005497 -0.002300 0.000041 11H 1s -0.024720 -0.020169 0.012139 0.012687 -0.002549 -0.005232 11H 2s -0.090963 -0.042027 0.043380 0.056801 0.015219 -0.025610 11H 3s 0.101268 0.117152 -0.060453 -0.026303 0.011089 0.017185 11H 1pz -0.019396 -0.005542 -0.004237 0.009043 0.002537 -0.021025 11H 1px -0.028696 -0.020721 0.013520 0.015726 0.001575 -0.004554 11H 1py 0.016636 0.003587 -0.010696 -0.017411 -0.003013 -0.005762 12H 1s 0.006076 -0.016523 -0.001140 -0.010175 -0.012831 0.008018 12H 2s 0.038459 -0.040471 0.011060 -0.046333 -0.030486 0.039803 12H 3s 0.042513 0.117942 -0.053656 0.010286 0.020344 -0.004220 12H 1pz -0.017302 -0.006214 -0.001697 0.017152 0.011076 0.002824 12H 1px -0.004586 -0.024196 0.011215 -0.005733 -0.006819 0.005935 12H 1py 0.010944 -0.020043 -0.003413 -0.013821 -0.010638 0.016053 13H 1s 0.001939 -0.012716 0.024767 -0.002091 0.002304 -0.016601 13H 2s 0.012184 -0.074423 0.058431 -0.001742 -0.005888 -0.062886 13H 3s 0.009013 -0.033441 0.020793 -0.019908 -0.018967 0.019091 13H 1pz 0.001684 -0.012520 0.011887 0.001793 -0.003152 -0.016960 13H 1px 0.000715 0.015450 -0.018254 0.003646 -0.006066 0.013337 13H 1py 0.002764 -0.005232 0.008325 -0.002006 0.003799 0.008409 14H 1s 0.007504 -0.005418 0.005184 0.012483 -0.010459 -0.011719 14H 2s 0.008919 -0.050966 -0.003000 0.024781 -0.037617 -0.046861 14H 3s 0.002947 -0.051140 0.052051 -0.024329 0.008640 0.002673 14H 1pz -0.001259 -0.014409 0.008743 0.004668 -0.004562 -0.020646 14H 1px 0.001635 -0.006724 -0.006046 0.011397 -0.012390 -0.014343 14H 1py 0.017653 -0.010637 0.004575 0.008341 -0.016000 0.005323 15H 1s -0.008268 0.027708 -0.014497 0.000805 0.010358 0.010891 15H 2s -0.044914 0.082028 -0.042325 -0.018754 0.052035 0.038217 15H 3s 0.023142 -0.128238 0.061701 -0.011440 -0.025388 -0.033061 15H 1pz 0.016573 -0.018747 0.018268 0.004510 -0.017653 -0.005369 15H 1px -0.002429 0.012212 -0.003457 0.000091 0.002244 0.004578 15H 1py 0.006956 -0.029268 -0.002511 0.002024 -0.012458 -0.010455 16H 1s -0.014615 -0.046847 -0.013422 0.015101 0.011827 0.007789 16H 2s -0.009529 -0.063250 -0.019246 0.040819 0.088682 -0.087997 16H 3s -0.000743 0.006370 0.009544 0.007112 -0.021278 -0.001937 16H 1pz -0.013503 -0.063459 -0.015375 0.035898 0.038206 -0.051576 16H 1px -0.009157 -0.017813 0.010758 -0.019682 0.030517 0.080671 16H 1py -0.006208 -0.013082 0.001526 -0.016716 0.006373 0.083948 17H 1s 0.003973 -0.032856 0.007965 0.000468 0.018177 -0.026787 17H 2s -0.013826 -0.058818 0.014876 0.040234 0.083173 0.013026 17H 3s -0.001449 0.004782 -0.007824 -0.021600 -0.007208 0.001915 17H 1pz 0.000293 0.045616 -0.002954 -0.025754 -0.042441 0.071876 17H 1px 0.008708 0.031117 -0.013345 0.024277 -0.029273 -0.093113 17H 1py 0.003005 -0.011102 -0.004383 0.017922 -0.001415 -0.064584 18H 1s -0.004333 0.032396 0.007183 0.001178 0.018347 0.026059 18H 2s 0.015049 0.059117 0.014169 0.041330 0.082393 -0.009010 18H 3s 0.001590 -0.004731 -0.007301 -0.022126 -0.006516 -0.002523 18H 1pz 0.000346 0.045719 0.002855 0.026670 0.042156 0.072790 18H 1px 0.009273 0.031431 0.012299 -0.023321 0.029907 -0.090250 18H 1py 0.003358 -0.009501 0.005110 -0.017416 0.002950 -0.062085 19H 1s 0.014422 0.047415 -0.014049 0.015663 0.011754 -0.007263 19H 2s 0.010818 0.063499 -0.019618 0.041863 0.088425 0.089501 19H 3s 0.000770 -0.006183 0.009935 0.006240 -0.021434 0.001925 19H 1pz -0.013784 -0.063604 0.015873 -0.036673 -0.037728 -0.053794 19H 1px -0.008816 -0.017352 -0.011165 0.018807 -0.030771 0.077991 19H 1py -0.006506 -0.014874 -0.000521 0.015387 -0.008218 0.081611 20H 1s 0.008485 -0.027502 -0.014318 0.000929 0.010626 -0.010787 20H 2s 0.045679 -0.081732 -0.041634 -0.018908 0.053196 -0.037168 20H 3s -0.023977 0.127573 0.061608 -0.011710 -0.026067 0.032929 20H 1pz 0.016874 -0.018644 -0.018064 -0.004514 0.018059 -0.005157 20H 1px -0.002648 0.012511 0.003671 -0.000044 -0.002476 0.004657 20H 1py 0.007072 -0.029143 0.002732 -0.002036 0.012716 -0.010279 21H 1s -0.007465 0.005163 0.004809 0.012431 -0.010435 0.011490 21H 2s -0.009500 0.050221 -0.003904 0.024684 -0.038329 0.046144 21H 3s -0.003366 0.050964 0.052437 -0.024563 0.008487 -0.001876 21H 1pz -0.001045 -0.014402 -0.008675 -0.004759 0.004886 -0.020507 21H 1px 0.001683 -0.006460 0.006326 -0.011346 0.012471 -0.014009 21H 1py 0.017677 -0.010403 -0.004225 -0.008317 0.015979 0.005268 22H 1s -0.002224 0.012700 0.024939 -0.001985 0.002071 0.016050 22H 2s -0.012939 0.074002 0.058909 -0.001711 -0.006344 0.062623 22H 3s -0.008931 0.033104 0.020583 -0.020331 -0.018946 -0.018782 22H 1pz 0.001834 -0.012202 -0.011765 -0.001779 0.003249 -0.016592 22H 1px 0.000372 0.015577 0.018567 -0.003500 0.005775 0.013194 22H 1py 0.002853 -0.005189 -0.008154 0.001924 -0.003651 0.008588 23H 1s -0.005616 0.017447 -0.000550 -0.010001 -0.012936 -0.008152 23H 2s -0.038108 0.043142 0.012391 -0.047469 -0.031300 -0.039809 23H 3s -0.043377 -0.120439 -0.054624 0.009899 0.021246 0.004757 23H 1pz -0.016857 -0.005469 0.002329 -0.017074 -0.011157 0.002564 23H 1px -0.004835 -0.024328 -0.011384 0.005604 0.006704 0.005834 23H 1py 0.010904 -0.021047 0.003088 0.014205 0.011009 0.015948 24H 1s 0.024636 0.019667 0.011890 0.012959 -0.002504 0.005334 24H 2s 0.090246 0.039326 0.043067 0.057236 0.015597 0.025969 24H 3s -0.101119 -0.117132 -0.061206 -0.026901 0.011133 -0.015854 24H 1pz -0.019085 -0.005071 0.004204 -0.008928 -0.002502 -0.021166 24H 1px -0.029099 -0.020568 -0.013789 -0.016214 -0.001656 -0.004579 24H 1py 0.016135 0.002405 0.010099 0.017574 0.003158 -0.005542 25H 1s -0.013394 -0.026430 -0.028633 0.002788 0.004778 0.002709 25H 2s -0.060659 -0.080559 -0.063122 -0.008552 0.007511 -0.002901 25H 3s -0.025530 -0.039353 -0.018158 -0.015623 0.013147 -0.009601 25H 1pz -0.004797 -0.016888 -0.003841 0.002579 0.000103 0.003468 25H 1px -0.017504 -0.030576 -0.025539 0.002260 0.003569 0.000632 25H 1py -0.000693 -0.011983 -0.002983 0.005274 0.002299 -0.000144 26O 1s -0.002582 -0.004510 0.003821 0.001088 -0.001588 -0.000031 26O 2s -0.011428 -0.020174 0.018830 0.002821 -0.002983 0.000664 26O 3s 0.199618 0.354219 -0.365738 -0.022014 -0.003583 -0.029811 26O 4s -0.590504 -1.038903 1.128093 0.000135 0.168317 0.106494 26O 5s -0.142824 -0.191690 0.042663 0.038107 -0.001635 0.140594 26O 1pz 0.006224 -0.002829 0.030431 -0.013167 0.025191 0.005569 26O 1px -0.036742 -0.072162 0.101647 0.004947 -0.005195 0.012297 26O 1py -0.026306 -0.024896 0.056890 0.002595 0.016242 -0.008356 26O 2pz 0.021936 0.052331 -0.132089 0.025516 -0.074713 -0.025609 26O 2px 0.363308 0.647558 -0.805694 0.003739 -0.095757 -0.118196 26O 2py 0.173662 0.270971 -0.383380 0.013427 -0.080147 0.010323 26O 3pz 0.013991 0.005968 -0.049494 -0.112513 0.003449 0.019740 26O 3px 0.117375 0.174376 -0.133416 -0.031515 -0.165193 0.020732 26O 3py -0.000743 0.054721 -0.073458 0.095573 0.019507 0.047653 26O 1dz2 -0.292292 0.158792 -0.037981 0.413068 0.083472 -0.132408 26O 1dxz -0.085266 -0.025075 0.065538 0.058167 0.014817 -0.046221 26O 1dyz 0.086988 -0.278957 0.074265 -0.213424 -0.163042 0.125403 26O 1dx2y2 -0.159424 -0.024916 0.069077 0.129917 0.113684 -0.039983 26O 1dxy -0.209105 -0.084113 0.126738 0.160743 0.095613 -0.038489 26O 2dz2 0.264219 0.081929 -0.188842 -0.245951 -0.075050 0.071727 26O 2dxz 0.007176 -0.035378 0.009796 -0.004635 -0.007096 0.059100 26O 2dyz -0.060306 0.151797 -0.045114 0.141185 0.094339 -0.071993 26O 2dx2y2 -0.034997 -0.186510 0.201789 -0.053318 -0.021719 0.084657 26O 2dxy 0.015722 -0.168755 0.170205 -0.128356 -0.051896 0.020616 26O 1f0 -0.064378 -0.070079 0.087316 0.044494 -0.012857 0.018014 26O 1f+1 -0.140747 -0.173781 0.189975 0.037026 0.010045 -0.035059 26O 1f-1 -0.068678 -0.120406 0.091100 -0.003281 -0.018859 -0.038122 26O 1f+2 0.067990 0.137668 -0.108572 -0.029553 0.018091 -0.060019 26O 1f-2 0.030077 -0.007051 -0.050409 -0.051789 0.005544 0.012445 26O 1f+3 -0.059562 -0.054457 0.045019 0.053871 0.044728 0.085614 26O 1f-3 -0.083428 -0.252170 0.248077 -0.041751 -0.041716 0.013638 27O 1s -0.001100 0.002449 -0.003997 0.001704 0.001188 -0.000564 27O 2s -0.004957 0.010761 -0.019087 0.002900 0.003525 -0.000596 27O 3s 0.087996 -0.186068 0.362280 0.014488 -0.038636 -0.022418 27O 4s -0.262072 0.547135 -1.099605 -0.207822 0.059552 0.101656 27O 5s -0.064754 0.080692 0.003981 -0.051436 0.045434 0.167764 27O 1pz -0.014296 -0.005422 -0.004690 -0.021395 -0.000188 0.012222 27O 1px -0.021544 0.038828 -0.109646 -0.009715 0.010193 0.018312 27O 1py -0.007954 -0.006684 0.040894 0.028182 0.011502 -0.002329 27O 2pz 0.020889 0.030474 -0.019713 0.041325 0.009831 -0.041908 27O 2px 0.180724 -0.355380 0.836252 0.178096 -0.035829 -0.159806 27O 2py -0.015199 0.078030 -0.218450 -0.106731 -0.013736 0.017714 27O 3pz -0.086782 -0.031148 0.038173 -0.099006 0.111770 0.014904 27O 3px 0.032744 -0.099070 0.159766 0.119022 0.036512 0.032434 27O 3py -0.049882 -0.018628 -0.093391 0.017055 0.097687 -0.066963 27O 1dz2 0.262503 -0.268893 0.065349 0.191740 -0.423374 -0.147600 27O 1dxz 0.019114 0.018716 -0.014393 0.022620 0.013692 -0.015870 27O 1dyz -0.061916 0.003421 0.064240 -0.133565 0.141650 0.046350 27O 1dx2y2 0.114265 -0.067026 -0.096316 0.000552 -0.256721 -0.056447 27O 1dxy -0.004987 -0.024006 0.111623 -0.047824 0.077762 0.019001 27O 2dz2 -0.109097 0.071595 0.149548 -0.086590 0.253646 0.064105 27O 2dxz 0.021583 -0.025035 0.054006 0.019777 -0.042244 0.034004 27O 2dyz 0.024527 0.006552 -0.067316 0.069880 -0.077978 -0.035680 27O 2dx2y2 -0.122475 0.184400 -0.266125 -0.057809 0.152150 0.103451 27O 2dxy 0.050180 -0.044850 0.051629 0.045236 -0.090137 -0.002194 27O 1f0 0.036574 -0.005987 -0.003946 0.024607 -0.031543 0.042266 27O 1f+1 -0.015270 0.054854 -0.195727 0.021804 -0.035569 -0.014714 27O 1f-1 0.006426 -0.017658 0.047150 -0.005656 -0.015944 0.018164 27O 1f+2 -0.027812 -0.019013 0.013525 -0.043200 0.039214 -0.027904 27O 1f-2 0.033629 -0.034274 0.054139 0.003893 -0.017039 0.033145 27O 1f+3 -0.039146 0.143770 -0.197097 -0.013549 0.006080 0.087094 27O 1f-3 0.085806 -0.115676 0.210203 -0.005923 -0.096072 0.010766 28O 1s -0.002323 -0.004398 0.004301 -0.000708 0.001610 -0.000762 28O 2s -0.010458 -0.019781 0.020077 -0.001143 0.002660 -0.001527 28O 3s 0.185690 0.350298 -0.374615 -0.008977 0.015940 -0.004841 28O 4s -0.551898 -1.037239 1.122937 0.099823 -0.206836 0.038259 28O 5s -0.100234 -0.182941 -0.014888 0.038869 -0.016866 0.138680 28O 1pz -0.032376 -0.042865 0.085987 0.017334 -0.027717 0.016963 28O 1px 0.026177 0.063001 -0.079007 0.005489 -0.005591 -0.001981 28O 1py 0.011291 -0.011229 0.022339 0.002608 -0.022430 -0.002903 28O 2pz 0.251306 0.440215 -0.581931 -0.085449 0.169503 -0.101852 28O 2px -0.280581 -0.552218 0.644646 0.048609 -0.103583 0.059632 28O 2py 0.008659 0.072538 -0.109751 -0.026785 0.063566 0.015814 28O 3pz 0.011051 0.112871 -0.144329 0.069882 0.047014 0.038996 28O 3px -0.109236 -0.146503 0.093175 0.108817 -0.100587 -0.010319 28O 3py 0.052721 -0.053592 -0.061280 -0.092462 -0.090129 0.033812 28O 1dz2 0.130778 -0.152492 0.074698 -0.280310 -0.080443 -0.135925 28O 1dxz 0.213807 0.092910 -0.119782 -0.268815 -0.025605 -0.121976 28O 1dyz -0.178357 -0.162783 0.091929 0.080820 0.104535 0.062706 28O 1dx2y2 0.166018 -0.119209 0.053327 -0.313546 -0.189928 -0.137820 28O 1dxy -0.087338 -0.023061 -0.012221 0.104557 0.075300 0.062090 28O 2dz2 -0.072110 0.047455 -0.022545 0.140756 0.049129 0.110499 28O 2dxz 0.028289 0.241299 -0.266624 0.144466 0.075271 0.034187 28O 2dyz 0.077781 0.083005 -0.039320 -0.028825 -0.044693 -0.060551 28O 2dx2y2 -0.192570 -0.104980 0.176971 0.220660 0.073120 0.112143 28O 2dxy 0.093268 0.046136 -0.044368 -0.099090 -0.061084 -0.018323 28O 1f0 -0.046693 -0.089118 0.095938 -0.005327 -0.018300 -0.061603 28O 1f+1 -0.067910 -0.219811 0.219847 -0.057776 0.004503 0.033738 28O 1f-1 -0.032725 -0.071624 0.001491 -0.001408 -0.004012 0.021308 28O 1f+2 0.134716 0.243844 -0.240095 -0.003365 0.009521 -0.024061 28O 1f-2 -0.066003 -0.043964 0.082523 0.042776 0.045249 -0.048058 28O 1f+3 0.056342 0.069215 -0.075677 -0.047358 0.004067 -0.053076 28O 1f-3 -0.092638 -0.078814 0.096489 0.058101 0.040941 -0.006452 29O 1s 0.000219 0.001622 0.000065 -0.000267 -0.000383 0.000338 29O 2s 0.000763 0.005566 0.000239 -0.001024 -0.001607 0.001298 29O 3s -0.011105 -0.078928 -0.003729 0.017337 0.030144 -0.021262 29O 4s 0.023681 0.181074 0.008794 -0.037854 -0.060775 0.051984 29O 5s 0.016225 0.013506 -0.000010 -0.047916 -0.136782 0.022011 29O 1pz 0.005254 0.008461 0.004241 -0.008143 0.000347 -0.006756 29O 1px 0.001378 -0.005715 0.000863 0.001301 0.008155 -0.007801 29O 1py 0.002114 0.017438 0.000420 -0.000252 -0.002528 0.007705 29O 2pz -0.019756 -0.041381 -0.023247 0.036733 0.007313 0.016978 29O 2px -0.000257 0.043237 -0.004613 -0.011334 -0.047582 0.034568 29O 2py -0.011441 -0.085050 -0.002153 0.013110 0.035021 -0.038734 29O 3pz -0.000319 -0.006634 -0.010258 -0.029369 0.024830 -0.118897 29O 3px -0.000635 0.005625 -0.006432 -0.010949 0.019644 -0.023700 29O 3py -0.007727 -0.026822 0.002639 0.048276 0.090691 0.001356 29O 1dz2 0.000397 0.070107 0.026387 -0.072965 -0.029956 0.304650 29O 1dxz 0.029915 0.074156 -0.049067 0.069520 -0.077422 -0.394490 29O 1dyz 0.017904 -0.008052 -0.050846 0.094239 -0.011751 -0.441982 29O 1dx2y2 0.010256 0.028137 -0.028104 0.033720 -0.030894 -0.176356 29O 1dxy 0.004549 0.029473 -0.020734 0.002323 -0.048425 0.016054 29O 2dz2 0.005909 -0.021113 -0.009674 0.041769 0.010193 -0.210963 29O 2dxz -0.019354 -0.034895 0.028173 -0.049421 0.045047 0.275427 29O 2dyz -0.005561 0.015264 0.042862 -0.073805 0.005786 0.304558 29O 2dx2y2 -0.007978 -0.023890 0.016448 -0.021316 0.024564 0.120286 29O 2dxy -0.004364 -0.040210 0.016137 0.004115 0.051810 -0.018577 29O 1f0 -0.005249 -0.029392 -0.000152 -0.005097 0.018760 0.035907 29O 1f+1 0.008451 0.015134 -0.004784 0.013919 -0.010691 -0.073315 29O 1f-1 -0.010613 -0.034189 -0.011229 0.007203 0.013773 0.012030 29O 1f+2 -0.002645 0.013837 0.014461 -0.037020 -0.000855 0.116638 29O 1f-2 0.007989 -0.005583 0.007155 0.012788 0.000127 -0.047801 29O 1f+3 0.005524 0.027738 -0.008660 0.002639 -0.029689 -0.031865 29O 1f-3 -0.004081 0.010486 -0.002219 -0.010603 -0.000802 0.045953 30O 1s -0.000911 0.002437 -0.003958 -0.001686 -0.000356 -0.000065 30O 2s -0.004130 0.010859 -0.018925 -0.003344 0.000363 0.000680 30O 3s 0.073300 -0.189873 0.359968 0.001300 -0.032767 -0.032829 30O 4s -0.214652 0.565292 -1.094839 0.154677 0.163118 0.122813 30O 5s -0.008882 0.118171 -0.011522 -0.018716 -0.000282 0.118289 30O 1pz 0.003145 0.009467 -0.063671 0.014861 0.005542 0.012640 30O 1px 0.013347 -0.032812 0.066093 0.017959 0.000865 -0.005940 30O 1py 0.012857 -0.027370 0.073446 -0.020636 -0.019575 -0.002678 30O 2pz 0.053758 -0.163799 0.444479 -0.088407 -0.070439 -0.091325 30O 2px -0.106937 0.275906 -0.571368 0.037644 0.063753 0.081395 30O 2py -0.077127 0.214028 -0.484323 0.113207 0.085228 0.045903 30O 3pz 0.030233 -0.105209 0.079855 0.015431 -0.167390 0.036075 30O 3px -0.016733 0.076071 -0.074951 0.131054 0.047340 -0.021295 30O 3py -0.006309 -0.027282 -0.092609 0.031840 -0.027441 -0.069781 30O 1dz2 -0.184353 -0.016673 0.033600 -0.090650 0.232590 -0.131624 30O 1dxz -0.227178 -0.046793 0.091203 -0.177858 0.270234 -0.131170 30O 1dyz 0.204392 -0.125943 0.130137 0.107849 -0.174545 0.037570 30O 1dx2y2 -0.191582 -0.008664 0.041512 -0.048684 0.263950 -0.086173 30O 1dxy -0.115005 0.005180 -0.059363 0.017036 0.175415 -0.075757 30O 2dz2 0.102071 0.002912 0.031878 0.031504 -0.115210 0.102490 30O 2dxz 0.185763 -0.089811 0.184389 0.089616 -0.224585 0.041170 30O 2dyz -0.088228 -0.007321 0.069065 -0.068460 0.085255 -0.054393 30O 2dx2y2 0.088743 0.048090 -0.117887 0.051319 -0.130267 0.070912 30O 2dxy 0.029700 0.106108 -0.219701 0.025148 -0.098441 0.062777 30O 1f0 -0.043576 0.025807 -0.118907 -0.008887 0.030425 -0.035270 30O 1f+1 -0.054968 0.064894 -0.070712 -0.041441 0.072757 0.036500 30O 1f-1 0.011980 0.026669 -0.022677 -0.016049 0.021244 0.056413 30O 1f+2 0.055708 -0.048659 0.046102 0.000987 -0.055715 0.004834 30O 1f-2 0.052013 -0.137806 0.245119 0.030068 -0.015477 -0.019490 30O 1f+3 -0.028246 0.051433 -0.127660 -0.030883 -0.022636 -0.031111 30O 1f-3 -0.001462 -0.099213 0.169123 -0.022276 0.033669 -0.035428 31O 1s 0.000939 -0.002412 -0.003946 -0.001681 -0.000340 0.000092 31O 2s 0.004245 -0.010747 -0.018883 -0.003333 0.000413 -0.000541 31O 3s -0.075148 0.187963 0.359436 0.001180 -0.033466 0.030410 31O 4s 0.219607 -0.559910 -1.093377 0.154877 0.165157 -0.116200 31O 5s 0.008464 -0.118302 -0.011240 -0.019598 0.000341 -0.123558 31O 1pz 0.002802 0.009114 0.063646 -0.014825 -0.005422 0.011887 31O 1px 0.013677 -0.032401 -0.066001 -0.018034 -0.000877 -0.005520 31O 1py 0.013045 -0.027026 -0.073456 0.020390 0.019462 -0.001829 31O 2pz 0.055711 -0.161729 -0.444331 0.088432 0.070449 -0.088691 31O 2px -0.109263 0.273076 0.570891 -0.037486 -0.064206 0.078761 31O 2py -0.078550 0.211893 0.484116 -0.112406 -0.085262 0.043263 31O 3pz 0.030575 -0.104765 -0.078636 -0.016033 0.168037 0.041176 31O 3px -0.016588 0.076160 0.074195 -0.130212 -0.047952 -0.021665 31O 3py -0.006845 -0.027577 0.091150 -0.030836 0.026615 -0.077768 31O 1dz2 0.184137 0.016555 0.033439 -0.089978 0.231427 0.129001 31O 1dxz 0.226999 0.046126 0.090996 -0.177153 0.268794 0.129787 31O 1dyz -0.205158 0.125511 0.130191 0.107441 -0.174436 -0.037077 31O 1dx2y2 0.191612 0.008364 0.041247 -0.048567 0.263079 0.089106 31O 1dxy 0.115275 -0.004899 -0.059413 0.017697 0.174708 0.074350 31O 2dz2 -0.102013 -0.003063 0.031872 0.031346 -0.114526 -0.101240 31O 2dxz -0.186724 0.089046 0.184381 0.089041 -0.223792 -0.041831 31O 2dyz 0.087971 0.006842 0.068920 -0.068241 0.084966 0.053463 31O 2dx2y2 -0.088409 -0.047506 -0.117711 0.051289 -0.129749 -0.071592 31O 2dxy -0.028925 -0.105093 -0.219415 0.024498 -0.097807 -0.060562 31O 1f0 -0.044064 0.025130 0.118799 0.009002 -0.030144 -0.036344 31O 1f+1 -0.055556 0.064479 0.070670 0.041024 -0.072625 0.036109 31O 1f-1 0.011561 0.026409 0.022633 0.015733 -0.021286 0.055822 31O 1f+2 0.055988 -0.048435 -0.046066 -0.000668 0.055543 0.004835 31O 1f-2 0.053304 -0.136383 -0.244750 -0.030144 0.015487 -0.017960 31O 1f+3 -0.028785 0.050777 0.127419 0.031254 0.022629 -0.031358 31O 1f-3 -0.000753 -0.098336 -0.168858 0.022134 -0.033356 -0.034347 32O 1s -0.000217 -0.001622 0.000089 -0.000285 -0.000391 -0.000321 32O 2s -0.000754 -0.005570 0.000322 -0.001090 -0.001630 -0.001275 32O 3s 0.011097 0.079045 -0.004911 0.018325 0.030406 0.021455 32O 4s -0.023689 -0.181387 0.011470 -0.040042 -0.061662 -0.052667 32O 5s -0.017988 -0.013884 -0.000068 -0.048738 -0.134504 -0.026382 32O 1pz 0.005216 0.008272 -0.004257 0.008145 -0.000562 -0.006645 32O 1px 0.001471 -0.005722 -0.000727 -0.001608 -0.008138 -0.007881 32O 1py 0.002191 0.017549 -0.000707 0.000490 0.002497 0.007451 32O 2pz -0.019607 -0.040069 0.023416 -0.036530 -0.005828 0.016429 32O 2px -0.000242 0.043650 0.003761 0.012801 0.047794 0.035346 32O 2py -0.012017 -0.085699 0.003718 -0.014549 -0.034915 -0.038687 32O 3pz -0.000383 -0.006272 0.009717 0.030304 -0.023997 -0.115663 32O 3px -0.000517 0.005829 0.007117 0.010659 -0.018719 -0.022385 32O 3py -0.008699 -0.027161 -0.002333 -0.048782 -0.090315 -0.004088 32O 1dz2 -0.000234 -0.070888 0.027177 -0.075202 -0.028436 -0.313960 32O 1dxz -0.029651 -0.073173 -0.047961 0.066581 -0.078526 0.383859 32O 1dyz -0.018846 0.003432 -0.048706 0.090615 -0.016843 0.427691 32O 1dx2y2 -0.011267 -0.029265 -0.026312 0.030194 -0.030159 0.159660 32O 1dxy -0.004183 -0.030461 -0.025037 0.003137 -0.050434 -0.008249 32O 2dz2 -0.005896 0.021644 -0.010072 0.043355 0.009110 0.216746 32O 2dxz 0.019219 0.034156 0.027668 -0.047645 0.045420 -0.268383 32O 2dyz 0.005894 -0.013354 0.041696 -0.071604 0.009086 -0.294933 32O 2dx2y2 0.008769 0.024612 0.014985 -0.018711 0.023892 -0.108681 32O 2dxy 0.004333 0.040716 0.018329 0.004020 0.053093 0.013548 32O 1f0 -0.004353 -0.027295 0.000424 0.004507 -0.018316 0.033370 32O 1f+1 0.008137 0.016155 0.004288 -0.012574 0.011484 -0.069637 32O 1f-1 -0.010968 -0.035734 0.011407 -0.006347 -0.014804 0.016616 32O 1f+2 -0.002780 0.015012 -0.014742 0.037481 0.000308 0.116396 32O 1f-2 0.008200 -0.005115 -0.006882 -0.012668 -0.000187 -0.046724 32O 1f+3 0.006068 0.027496 0.008367 -0.002293 0.029857 -0.032072 32O 1f-3 -0.004105 0.010275 0.002758 0.009401 0.001291 0.040691 33O 1s 0.002349 0.004399 0.004312 -0.000698 0.001610 0.000748 33O 2s 0.010562 0.019793 0.020131 -0.001103 0.002667 0.001453 33O 3s -0.187311 -0.350594 -0.375657 -0.009612 0.015648 0.006252 33O 4s 0.556812 1.038177 1.126091 0.102004 -0.205711 -0.042323 33O 5s 0.101799 0.182476 -0.013621 0.039912 -0.014389 -0.137085 33O 1pz -0.032568 -0.042791 -0.086020 -0.017623 0.027606 0.017652 33O 1px 0.026610 0.063009 0.079260 -0.005268 0.005706 -0.002502 33O 1py 0.011191 -0.011394 -0.022552 -0.002544 0.022366 -0.002691 33O 2pz 0.253009 0.439907 0.582636 0.087005 -0.168443 -0.105296 33O 2px -0.283595 -0.552858 -0.646904 -0.050022 0.102630 0.062498 33O 2py 0.009469 0.073566 0.111066 0.026748 -0.063382 0.015094 33O 3pz 0.010274 0.111811 0.143709 -0.070976 -0.046702 0.038843 33O 3px -0.109378 -0.146231 -0.093871 -0.108705 0.099587 -0.012304 33O 3py 0.052087 -0.054155 0.061525 0.091368 0.089834 0.037339 33O 1dz2 -0.130831 0.152563 0.075311 -0.281288 -0.080812 0.133363 33O 1dxz -0.213740 -0.093006 -0.119632 -0.268534 -0.025842 0.119382 33O 1dyz 0.178644 0.163053 0.092608 0.080566 0.104459 -0.061694 33O 1dx2y2 -0.165283 0.119634 0.054395 -0.313157 -0.189923 0.134459 33O 1dxy 0.087194 0.022235 -0.012451 0.104654 0.075699 -0.060514 33O 2dz2 0.072021 -0.047972 -0.023500 0.141563 0.049423 -0.109393 33O 2dxz -0.029222 -0.241373 -0.267398 0.143900 0.075010 -0.030858 33O 2dyz -0.077621 -0.082709 -0.039101 -0.028849 -0.044697 0.060139 33O 2dx2y2 0.192784 0.105162 0.177120 0.220534 0.073340 -0.110770 33O 2dxy -0.093701 -0.046299 -0.045109 -0.099003 -0.061341 0.017043 33O 1f0 -0.047068 -0.089740 -0.097110 0.005844 0.018217 -0.061310 33O 1f+1 -0.068188 -0.219294 -0.219421 0.057218 -0.004468 0.036212 33O 1f-1 -0.032842 -0.071421 -0.001345 0.001133 0.003948 0.021008 33O 1f+2 0.135254 0.244356 0.240773 0.003373 -0.009437 -0.025485 33O 1f-2 -0.066620 -0.044814 -0.083696 -0.042204 -0.045211 -0.048350 33O 1f+3 0.056252 0.069446 0.075723 0.047303 -0.004022 -0.053142 33O 1f-3 -0.093380 -0.079512 -0.097523 -0.058017 -0.041174 -0.006929 34O 1s 0.001120 -0.002427 -0.003986 0.001700 0.001183 0.000573 34O 2s 0.005052 -0.010662 -0.019053 0.002896 0.003507 0.000636 34O 3s -0.089740 0.184344 0.361902 0.014294 -0.038430 0.021407 34O 4s 0.267367 -0.542139 -1.098560 -0.206918 0.059141 -0.097867 34O 5s 0.065506 -0.081448 0.003450 -0.048720 0.043977 -0.162451 34O 1pz -0.014286 -0.005514 0.004639 0.021403 0.000103 0.012154 34O 1px -0.022080 0.038273 0.109653 0.009511 -0.010255 0.017780 34O 1py -0.007805 -0.006515 -0.040950 -0.028061 -0.011516 -0.002259 34O 2pz 0.020618 0.030679 0.020112 -0.041349 -0.009466 -0.041370 34O 2px 0.184689 -0.351651 -0.836150 -0.176528 0.035922 -0.154772 34O 2py -0.016104 0.077171 0.218605 0.106150 0.013833 0.016189 34O 3pz -0.087247 -0.031515 -0.037967 0.098735 -0.111368 0.011407 34O 3px 0.032490 -0.099580 -0.158563 -0.118381 -0.037315 0.028819 34O 3py -0.049524 -0.018133 0.093085 -0.016903 -0.097325 -0.061214 34O 1dz2 -0.263430 0.268569 0.065626 0.190121 -0.422831 0.147453 34O 1dxz -0.019017 -0.018454 -0.014227 0.022536 0.013340 0.018681 34O 1dyz 0.062045 -0.003386 0.063989 -0.133487 0.141173 -0.044248 34O 1dx2y2 -0.114051 0.067375 -0.096224 -0.000025 -0.256642 0.055309 34O 1dxy 0.004548 0.023361 0.111407 -0.047221 0.077789 -0.021939 34O 2dz2 0.108814 -0.072216 0.149311 -0.085849 0.253326 -0.064787 34O 2dxz -0.021890 0.024828 0.054244 0.019670 -0.041770 -0.035399 34O 2dyz -0.024471 -0.006482 -0.067242 0.069853 -0.077677 0.034533 34O 2dx2y2 0.123752 -0.183194 -0.266072 -0.056982 0.152236 -0.101444 34O 2dxy -0.050537 0.044738 0.051820 0.044694 -0.089842 0.003163 34O 1f0 0.036670 -0.006029 0.003701 -0.024460 0.031174 0.042031 34O 1f+1 -0.015996 0.053985 0.195665 -0.021713 0.035556 -0.015280 34O 1f-1 0.006624 -0.017450 -0.047145 0.005665 0.015764 0.018394 34O 1f+2 -0.027834 -0.018801 -0.013040 0.042922 -0.038753 -0.027168 34O 1f-2 0.033940 -0.034148 -0.054255 -0.003819 0.016966 0.033468 34O 1f+3 -0.040083 0.142696 0.196859 0.013320 -0.006590 0.086100 34O 1f-3 0.086916 -0.114589 -0.210142 0.006157 0.095760 0.012023 35O 1s 0.002585 0.004534 0.003829 0.001075 -0.001591 0.000010 35O 2s 0.011450 0.020271 0.018874 0.002771 -0.002999 -0.000768 35O 3s -0.200017 -0.355749 -0.366604 -0.021222 -0.003370 0.031820 35O 4s 0.590981 1.043566 1.130709 -0.002763 0.167603 -0.112832 35O 5s 0.140425 0.194447 0.042744 0.035246 -0.002383 -0.141205 35O 1pz 0.006257 -0.002701 -0.030389 0.013297 -0.025149 0.005793 35O 1px -0.036698 -0.072412 -0.101818 -0.004606 0.005378 0.012967 35O 1py -0.026319 -0.025041 -0.057085 -0.002514 -0.016021 -0.007928 35O 2pz 0.021415 0.051964 0.131870 -0.026193 0.074470 -0.026387 35O 2px 0.363101 0.649930 0.807315 -0.005958 0.095053 -0.122920 35O 2py 0.173713 0.272498 0.384829 -0.014364 0.079370 0.007434 35O 3pz 0.015483 0.006507 0.048964 0.113971 -0.003303 0.021788 35O 3px 0.117310 0.175622 0.132911 0.030911 0.164328 0.021597 35O 3py -0.000124 0.055078 0.073891 -0.095372 -0.019525 0.044622 35O 1dz2 0.292093 -0.159068 -0.037107 0.412157 0.084074 0.135627 35O 1dxz 0.085530 0.025014 0.065645 0.058348 0.014849 0.046336 35O 1dyz -0.086650 0.278894 0.074180 -0.211873 -0.162706 -0.126978 35O 1dx2y2 0.159381 0.025049 0.069520 0.129542 0.113792 0.040695 35O 1dxy 0.209821 0.084893 0.127923 0.160438 0.096131 0.039191 35O 2dz2 -0.264403 -0.082321 -0.189964 -0.245101 -0.075323 -0.072479 35O 2dxz -0.007526 0.035411 0.009447 -0.004866 -0.007078 -0.058857 35O 2dyz 0.060020 -0.151706 -0.045214 0.140168 0.094175 0.073110 35O 2dx2y2 0.035202 0.186758 0.201710 -0.053302 -0.021765 -0.085836 35O 2dxy -0.015611 0.169373 0.170572 -0.128451 -0.052404 -0.023189 35O 1f0 -0.064238 -0.069951 -0.087041 -0.044330 0.012847 0.017934 35O 1f+1 -0.141202 -0.174185 -0.190878 -0.036788 -0.009989 -0.033985 35O 1f-1 -0.068947 -0.120836 -0.091811 0.003361 0.019008 -0.037235 35O 1f+2 0.067853 0.137744 0.108353 0.029441 -0.018034 -0.059659 35O 1f-2 0.030114 -0.007060 0.050259 0.051607 -0.005576 0.012288 35O 1f+3 -0.059467 -0.054007 -0.044221 -0.053974 -0.045112 0.084279 35O 1f-3 -0.084336 -0.252996 -0.248977 0.041446 0.041996 0.015957 690 691 692 693 694 695 6.41739 6.42384 6.42675 6.43106 6.45427 6.49427 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s -0.000132 0.000108 -0.000069 -0.000062 0.000331 0.001866 0Rh 2s 0.000963 -0.000788 0.000435 0.000613 -0.002098 -0.011828 0Rh 3s -0.000236 0.000190 -0.000166 -0.000015 0.000780 0.004392 0Rh 4s -0.006227 0.005106 -0.002844 -0.003857 0.013827 0.077784 0Rh 5s 0.017596 -0.014576 0.007720 0.011214 -0.039045 -0.216387 0Rh 6s -0.022086 0.018926 -0.007768 -0.016071 0.048017 0.244840 0Rh 7s 0.052732 -0.030863 -0.002275 0.030330 -0.057244 -0.263925 0Rh 8s 0.012436 0.002181 0.003649 0.004681 -0.021756 -0.047095 0Rh 1pz 0.001163 -0.002178 0.013342 -0.007094 0.000251 0.016290 0Rh 1px -0.000779 -0.000877 0.007627 -0.000514 -0.001727 -0.044532 0Rh 1py 0.010280 -0.001410 -0.003875 -0.009515 0.002273 -0.012632 0Rh 2pz -0.004918 0.009134 -0.055937 0.029758 -0.001005 -0.068553 0Rh 2px 0.003235 0.003693 -0.032031 0.002118 0.007135 0.187420 0Rh 2py -0.043324 0.005915 0.016230 0.039914 -0.009617 0.053171 0Rh 3pz 0.017059 -0.030430 0.186043 -0.099287 0.002290 0.232872 0Rh 3px -0.010111 -0.012653 0.107655 -0.006407 -0.021350 -0.637198 0Rh 3py 0.148187 -0.019797 -0.053654 -0.133320 0.033541 -0.180877 0Rh 4pz -0.023935 0.040654 -0.247435 0.132973 0.000420 -0.324371 0Rh 4px 0.011480 0.018287 -0.146940 0.007065 0.020026 0.889414 0Rh 4py -0.206761 0.026905 0.070629 0.179953 -0.047705 0.252329 0Rh 5pz 0.013060 -0.021336 0.126436 -0.070219 -0.007017 0.201596 0Rh 5px -0.001339 -0.013811 0.085138 -0.002120 0.008344 -0.557312 0Rh 5py 0.125537 -0.016105 -0.035068 -0.100171 0.025280 -0.155495 0Rh 6pz -0.055332 -0.100253 0.664662 -0.340364 0.011928 0.096901 0Rh 6px -0.061169 -0.013308 0.243040 0.000531 -0.099816 -0.109354 0Rh 6py -0.225623 -0.037980 -0.255718 -0.506634 0.041905 -0.178569 0Rh 1dz2 -0.000217 -0.001121 0.006424 -0.004882 -0.014879 -0.007507 0Rh 1dxz 0.004426 0.001109 -0.007262 0.003514 -0.007389 -0.011190 0Rh 1dyz -0.004898 -0.000572 0.002664 -0.004077 0.005494 -0.002069 0Rh 1dx2y2 0.000203 0.000512 -0.004554 -0.001520 -0.007219 0.015594 0Rh 1dxy 0.008286 0.000714 0.004630 0.007148 0.002203 0.008576 0Rh 2dz2 0.000803 0.000536 -0.002677 0.002361 0.004191 0.001238 0Rh 2dxz -0.001453 -0.000482 0.003552 -0.001629 0.001870 0.002239 0Rh 2dyz 0.001607 0.000089 -0.000833 0.001610 -0.001482 0.000704 0Rh 2dx2y2 0.000398 -0.000239 0.002049 0.000907 0.002406 -0.003243 0Rh 2dxy -0.003297 -0.000398 -0.002049 -0.003384 -0.000856 -0.002816 0Rh 3dz2 -0.002915 0.003535 -0.022458 0.015369 0.062580 0.035645 0Rh 3dxz -0.017444 -0.003807 0.022685 -0.011501 0.032176 0.051251 0Rh 3dyz 0.019251 0.002777 -0.010955 0.014753 -0.023434 0.007964 0Rh 3dx2y2 -0.003148 -0.001606 0.015022 0.004015 0.028519 -0.070655 0Rh 3dxy -0.029571 -0.001938 -0.015614 -0.022793 -0.007995 -0.033802 0Rh 4dz2 0.011635 -0.006887 0.048861 -0.030581 -0.150893 -0.085207 0Rh 4dxz 0.039883 0.008412 -0.045233 0.024092 -0.079287 -0.121308 0Rh 4dyz -0.043790 -0.007217 0.028151 -0.033009 0.056285 -0.016820 0Rh 4dx2y2 0.009939 0.002645 -0.030194 -0.007716 -0.065425 0.165488 0Rh 4dxy 0.063066 0.003006 0.033583 0.044921 0.017514 0.074975 0Rh 5dz2 -0.038887 0.004213 -0.059010 0.025981 0.265804 0.115697 0Rh 5dxz -0.058435 -0.013421 0.038321 -0.024327 0.152606 0.163478 0Rh 5dyz 0.059526 0.015953 -0.057259 0.043280 -0.089933 0.013288 0Rh 5dx2y2 -0.024417 0.004714 0.024254 0.006190 0.080088 -0.212633 0Rh 5dxy -0.074785 0.003906 -0.041449 -0.033629 -0.024528 -0.079841 0Rh 1f0 -0.004418 0.000179 -0.000397 -0.001386 0.005814 -0.012055 0Rh 1f+1 0.004603 0.000039 0.000207 -0.001235 -0.007589 0.008238 0Rh 1f-1 -0.006320 -0.000865 0.002303 -0.004591 -0.006130 -0.000234 0Rh 1f+2 -0.005898 0.000946 -0.004381 -0.000336 -0.005803 0.013430 0Rh 1f-2 -0.002993 -0.000293 -0.002733 -0.003401 0.004637 0.003275 0Rh 1f+3 -0.008032 -0.000203 0.001731 -0.000574 0.004389 0.018538 0Rh 1f-3 0.010416 -0.000046 -0.001312 -0.003492 0.006316 0.008670 1Rh 1s 0.000126 0.000108 -0.000081 -0.000053 -0.000325 0.001896 1Rh 2s -0.000924 -0.000796 0.000519 0.000553 0.002064 -0.012025 1Rh 3s 0.000220 0.000192 -0.000188 0.000004 -0.000763 0.004459 1Rh 4s 0.005970 0.005152 -0.003389 -0.003469 -0.013597 0.079075 1Rh 5s -0.016891 -0.014711 0.009264 0.010119 0.038417 -0.220046 1Rh 6s 0.021328 0.019116 -0.009734 -0.014716 -0.047370 0.249400 1Rh 7s -0.052757 -0.031465 0.000700 0.028247 0.056480 -0.269896 1Rh 8s -0.012876 0.002112 0.007311 0.004375 0.021539 -0.050694 1Rh 1pz 0.001046 0.002298 -0.013130 0.007175 0.000795 -0.016021 1Rh 1px -0.000966 0.000961 -0.007606 0.000562 -0.001413 0.044779 1Rh 1py 0.010201 0.001442 0.003814 0.009501 0.002371 0.012537 1Rh 2pz -0.004428 -0.009638 0.055044 -0.030100 -0.003289 0.067415 1Rh 2px 0.004022 -0.004045 0.031938 -0.002320 0.005814 -0.188452 1Rh 2py -0.042991 -0.006050 -0.015974 -0.039852 -0.010030 -0.052771 1Rh 3pz 0.015446 0.032136 -0.182992 0.100481 0.010019 -0.228982 1Rh 3px -0.012788 0.013835 -0.107254 0.007056 -0.016892 0.640486 1Rh 3py 0.147060 0.020238 0.052846 0.133079 0.034971 0.179498 1Rh 4pz -0.021874 -0.043030 0.243215 -0.134696 -0.010295 0.319107 1Rh 4px 0.015255 -0.019886 0.146110 -0.007825 0.013889 -0.893116 1Rh 4py -0.205204 -0.027466 -0.069682 -0.179557 -0.049780 -0.250561 1Rh 5pz 0.012304 0.022860 -0.124027 0.071305 -0.000459 -0.199809 1Rh 5px -0.003887 0.014726 -0.084150 0.002281 0.012008 0.557140 1Rh 5py 0.124577 0.016332 0.034773 0.099899 0.026755 0.155851 1Rh 6pz -0.062268 0.100263 -0.668371 0.338332 0.032464 -0.075739 1Rh 6px -0.061730 0.012983 -0.244627 -0.000780 -0.092092 0.128368 1Rh 6py -0.224468 0.039823 0.257217 0.506103 0.040021 0.154887 1Rh 1dz2 0.000356 -0.001182 0.006842 -0.005054 0.014620 -0.007623 1Rh 1dxz -0.004467 0.001092 -0.007274 0.003344 0.007655 -0.011215 1Rh 1dyz 0.005215 -0.000565 0.002394 -0.004260 -0.005498 -0.002044 1Rh 1dx2y2 -0.000217 0.000471 -0.004499 -0.001662 0.007392 0.015872 1Rh 1dxy -0.008156 0.000731 0.004509 0.007139 -0.002158 0.008557 1Rh 2dz2 -0.000854 0.000552 -0.002776 0.002399 -0.004077 0.001262 1Rh 2dxz 0.001478 -0.000482 0.003599 -0.001579 -0.002011 0.002225 1Rh 2dyz -0.001739 0.000091 -0.000756 0.001693 0.001473 0.000703 1Rh 2dx2y2 -0.000395 -0.000227 0.002047 0.000959 -0.002474 -0.003303 1Rh 2dxy 0.003240 -0.000405 -0.002005 -0.003378 0.000837 -0.002790 1Rh 3dz2 0.002393 0.003799 -0.024300 0.016142 -0.061705 0.036176 1Rh 3dxz 0.017546 -0.003706 0.022513 -0.010808 -0.032957 0.051470 1Rh 3dyz -0.020374 0.002733 -0.009831 0.015358 0.023509 0.007822 1Rh 3dx2y2 0.003210 -0.001431 0.014721 0.004551 -0.029143 -0.071927 1Rh 3dxy 0.029122 -0.001996 -0.015160 -0.022770 0.007840 -0.033833 1Rh 4dz2 -0.010420 -0.007514 0.053333 -0.032525 0.149057 -0.086557 1Rh 4dxz -0.040067 0.008149 -0.044518 0.022461 0.080798 -0.122030 1Rh 4dyz 0.046351 -0.007095 0.025462 -0.034312 -0.056545 -0.016357 1Rh 4dx2y2 -0.010047 0.002223 -0.029429 -0.008897 0.066752 0.168791 1Rh 4dxy -0.062048 0.003122 0.032542 0.044859 -0.017205 0.075236 1Rh 5dz2 0.037110 0.005191 -0.066827 0.029777 -0.263969 0.118969 1Rh 5dxz 0.058553 -0.012890 0.035579 -0.021516 -0.153644 0.165547 1Rh 5dyz -0.063352 0.015687 -0.052865 0.045032 0.090611 0.010721 1Rh 5dx2y2 0.024319 0.005461 0.023438 0.007378 -0.081470 -0.221181 1Rh 5dxy 0.073202 0.003807 -0.039691 -0.033546 0.024305 -0.081059 1Rh 1f0 -0.004429 -0.000224 0.000864 0.001405 0.005792 0.012677 1Rh 1f+1 0.004613 -0.000013 -0.000055 0.001466 -0.007567 -0.007559 1Rh 1f-1 -0.006347 0.000906 -0.002581 0.004590 -0.005862 0.000251 1Rh 1f+2 -0.005846 -0.000953 0.004174 0.000413 -0.006087 -0.013387 1Rh 1f-2 -0.002973 0.000263 0.002901 0.003347 0.004644 -0.003968 1Rh 1f+3 -0.008000 0.000158 -0.001536 0.000510 0.004455 -0.017948 1Rh 1f-3 0.010435 0.000010 0.001512 0.003353 0.006299 -0.009107 2C 1s 0.000949 -0.000394 0.000466 -0.000356 0.000253 -0.000630 2C 2s 0.000775 -0.000479 0.000631 -0.000509 0.000235 0.001282 2C 3s 0.067005 0.006965 0.022311 -0.008923 0.015585 -0.087846 2C 4s -0.362249 -0.050631 -0.137411 0.083480 -0.075258 0.476529 2C 5s -0.090671 0.021108 -0.032905 0.170315 0.031885 -0.597678 2C 1pz 0.011094 -0.010803 -0.000968 0.000787 0.004143 -0.011155 2C 1px 0.005923 -0.010171 0.004146 -0.005577 0.002480 -0.002421 2C 1py -0.004219 0.022975 0.004314 -0.004310 -0.005519 -0.009168 2C 2pz -0.210235 0.036387 -0.041428 0.013971 -0.082745 0.242202 2C 2px -0.084891 0.085916 -0.068942 0.077321 -0.016638 0.043994 2C 2py -0.075129 -0.223065 -0.086990 0.066963 0.072621 0.176185 2C 3pz -0.032794 -0.021869 0.005548 0.026984 0.014463 -0.101453 2C 3px 0.006517 -0.011615 -0.031762 0.030196 -0.010734 -0.033278 2C 3py -0.026134 0.038009 -0.014241 0.016797 -0.014128 -0.071429 2C 1dz2 -0.001807 -0.019400 -0.002342 -0.002803 0.003894 0.006601 2C 1dxz 0.001370 -0.014661 -0.009968 0.009975 0.004622 0.003540 2C 1dyz -0.015026 0.006846 -0.002937 0.000426 -0.007274 0.008242 2C 1dx2y2 0.011026 -0.013505 0.000197 0.001716 0.003954 -0.001759 2C 1dxy -0.004679 0.007246 -0.005057 0.005587 0.002356 0.000654 2C 2dz2 -0.071862 0.042552 0.013689 -0.025328 0.005238 0.054194 2C 2dxz -0.006093 -0.012197 -0.042951 0.058259 0.022204 0.028412 2C 2dyz -0.054162 -0.059429 -0.030835 0.012415 -0.004896 0.090738 2C 2dx2y2 -0.019848 0.054450 -0.000928 -0.002214 0.021690 -0.030074 2C 2dxy -0.018681 0.059094 -0.022074 0.033300 -0.055594 0.017860 2C 1f0 -0.014999 -0.000412 0.009451 -0.018309 0.022751 0.002494 2C 1f+1 -0.002730 0.003191 -0.010322 0.015218 -0.019413 0.005152 2C 1f-1 -0.010056 -0.000670 0.002592 -0.005318 -0.017576 0.021724 2C 1f+2 0.016764 0.003728 -0.001980 0.009437 -0.003670 -0.011122 2C 1f-2 -0.016984 0.011280 -0.021337 0.023714 0.014009 0.010536 2C 1f+3 -0.001127 -0.012742 -0.013658 0.011630 0.031497 0.001751 2C 1f-3 -0.009032 0.007985 0.003172 -0.006529 0.001111 -0.000539 3C 1s 0.000082 -0.000507 -0.000110 0.000385 -0.000107 -0.000653 3C 2s 0.000552 -0.000580 -0.000112 0.000532 -0.000264 0.001360 3C 3s -0.065007 0.013125 -0.020561 0.010824 -0.012250 -0.096132 3C 4s 0.354271 -0.098537 0.112100 -0.061270 0.067793 0.518513 3C 5s -0.004603 -0.030795 -0.128284 -0.052553 0.006295 -0.665936 3C 1pz -0.016855 0.024563 -0.000289 -0.005733 -0.001649 -0.005298 3C 1px -0.005709 0.004828 0.006797 0.001721 -0.000011 -0.002766 3C 1py 0.000874 0.011173 0.001955 -0.002984 -0.000304 0.013760 3C 2pz 0.235785 -0.259443 0.047383 0.040227 0.015094 0.147627 3C 2px 0.116142 -0.065825 -0.056247 -0.046875 -0.019251 0.080115 3C 2py -0.166319 -0.014806 -0.090363 0.037257 -0.070881 -0.272387 3C 3pz -0.000350 0.032241 0.002183 -0.017491 -0.000483 -0.040973 3C 3px 0.000133 -0.000717 -0.025303 -0.031392 0.009765 -0.067267 3C 3py -0.025099 0.033762 0.015848 -0.003843 -0.000309 0.117396 3C 1dz2 -0.009973 0.013205 0.002614 -0.000250 0.001160 -0.000803 3C 1dxz -0.001683 0.010378 -0.001534 -0.005390 -0.001959 0.002597 3C 1dyz -0.001431 -0.010382 -0.009231 0.003214 -0.003519 -0.009818 3C 1dx2y2 -0.019443 0.021012 -0.007626 -0.003538 -0.003825 -0.005523 3C 1dxy -0.009098 0.006965 0.006009 0.003039 -0.005198 -0.003551 3C 2dz2 0.034236 -0.092987 0.007128 0.025906 -0.004635 -0.019010 3C 2dxz 0.023337 -0.032464 -0.021514 0.004468 0.054712 0.020919 3C 2dyz -0.077236 0.032258 -0.050615 0.000316 -0.025812 -0.089068 3C 2dx2y2 -0.054874 0.026329 -0.045519 -0.009529 0.028540 -0.072131 3C 2dxy -0.054343 0.048090 0.044633 0.019062 -0.007902 -0.037987 3C 1f0 -0.019306 0.013092 -0.000356 0.001594 0.020815 -0.011166 3C 1f+1 0.002386 0.009820 0.007570 -0.003931 -0.017124 0.001406 3C 1f-1 0.000759 0.009047 -0.009734 -0.007709 -0.018892 -0.001538 3C 1f+2 -0.000623 -0.010160 -0.020355 -0.003526 -0.010646 -0.023489 3C 1f-2 -0.012426 -0.001963 0.006536 0.008989 0.011603 -0.012263 3C 1f+3 -0.002242 0.005863 -0.017931 -0.007280 0.029289 0.007451 3C 1f-3 -0.010214 0.004611 -0.027723 -0.006833 0.006321 -0.011330 4C 1s -0.003092 0.000045 -0.003866 0.001219 -0.001053 -0.014553 4C 2s -0.003183 0.000242 -0.005351 0.002482 -0.001103 -0.024356 4C 3s -0.101401 -0.007385 -0.049898 -0.014256 -0.029438 0.157780 4C 4s 0.532756 0.043488 0.406597 -0.005970 0.157126 0.018078 4C 5s -0.046460 0.000792 0.046097 -0.057733 0.006632 0.343397 4C 1pz 0.014640 0.004497 0.014366 -0.009860 0.001728 0.015825 4C 1px -0.004794 -0.001596 0.005763 -0.005763 0.001984 0.005033 4C 1py 0.008861 0.004180 0.010838 -0.008722 0.001935 0.012883 4C 2pz -0.088815 -0.161592 -0.013509 0.103302 -0.031930 0.432628 4C 2px 0.096692 -0.083444 0.000092 -0.080736 0.157274 0.072221 4C 2py -0.116103 0.124002 0.023226 0.010966 0.005639 0.276236 4C 3pz -0.103881 0.068615 -0.051540 0.150010 -0.002282 -0.286885 4C 3px -0.002226 -0.012754 0.177967 -0.229819 0.030013 -0.063815 4C 3py -0.059092 -0.102181 0.021214 0.020662 0.029023 -0.191765 4C 1dz2 -0.000288 -0.058584 -0.032635 0.024693 0.029718 -0.045309 4C 1dxz 0.010071 -0.035636 -0.006357 -0.010238 -0.031874 -0.063959 4C 1dyz 0.004275 0.033026 0.010252 0.004125 -0.039336 -0.000129 4C 1dx2y2 0.057696 -0.046207 0.034617 -0.007686 -0.027705 0.106701 4C 1dxy -0.004086 -0.001016 0.011372 -0.023797 0.084430 0.041993 4C 2dz2 -0.016090 0.120613 0.062333 -0.098575 -0.009443 -0.100642 4C 2dxz 0.019947 0.104951 -0.075918 0.086051 -0.022681 -0.073046 4C 2dyz 0.132829 -0.044655 0.064329 -0.021555 -0.012612 -0.092695 4C 2dx2y2 -0.008925 0.069761 0.063049 0.034474 -0.038084 0.088060 4C 2dxy 0.038464 0.018572 -0.077393 0.060273 0.125208 -0.012816 4C 1f0 -0.055845 0.041579 -0.045807 0.013682 0.071433 -0.022151 4C 1f+1 -0.038530 0.068312 0.024222 -0.024866 -0.107187 -0.036266 4C 1f-1 -0.010753 -0.013586 -0.005136 0.016761 -0.059657 0.004418 4C 1f+2 0.050482 -0.025868 0.042912 -0.007441 -0.037356 0.029709 4C 1f-2 0.011549 -0.086975 -0.006870 -0.025921 0.069780 0.001025 4C 1f+3 -0.076634 0.102058 0.008493 -0.035785 0.069455 -0.005881 4C 1f-3 0.005218 -0.111482 -0.035716 0.002941 0.032265 -0.030290 5C 1s 0.000552 -0.000237 0.005105 -0.002913 0.002569 -0.013587 5C 2s -0.000297 -0.000316 0.007587 -0.004124 0.003083 -0.022491 5C 3s 0.087825 -0.011834 0.023791 -0.031150 0.030480 0.150742 5C 4s -0.401021 0.091823 -0.364009 0.271703 -0.227222 -0.017151 5C 5s 0.065830 0.020910 0.030509 0.022781 -0.037612 0.405663 5C 1pz -0.005827 0.006907 -0.010340 0.003086 -0.004803 0.007543 5C 1px -0.003371 0.005163 -0.002090 0.007583 0.001597 0.004297 5C 1py 0.014540 -0.008550 0.016855 -0.006110 0.007661 -0.012801 5C 2pz -0.005453 0.106725 -0.034644 -0.019591 -0.041775 0.265448 5C 2px 0.135575 -0.018022 0.096815 0.060170 0.036228 0.163221 5C 2py -0.241535 0.216171 0.042833 -0.059153 -0.008194 -0.430653 5C 3pz 0.047626 -0.109740 -0.112772 -0.034139 -0.000998 -0.214160 5C 3px 0.028884 -0.040782 0.231724 0.110914 0.006301 -0.026117 5C 3py -0.063619 -0.023943 0.080872 0.066377 0.014458 0.298653 5C 1dz2 -0.036831 0.058828 0.011009 -0.022725 0.048037 -0.049091 5C 1dxz 0.018814 0.025191 0.046157 -0.024040 -0.062812 -0.060708 5C 1dyz 0.023239 -0.035703 0.018881 0.004768 0.015192 -0.023826 5C 1dx2y2 -0.024677 0.047962 -0.017696 0.019841 -0.025122 0.096533 5C 1dxy 0.002819 0.010110 -0.027919 -0.015148 -0.070733 0.031762 5C 2dz2 0.055098 -0.103089 0.049511 0.036299 0.079128 -0.004739 5C 2dxz 0.022195 -0.040574 -0.016138 -0.067111 -0.051395 -0.101688 5C 2dyz 0.068182 0.036714 0.000862 -0.062693 0.032640 0.073608 5C 2dx2y2 0.112225 -0.132776 -0.083036 0.007948 0.005348 0.098203 5C 2dxy 0.061707 -0.043693 0.136023 0.014388 -0.074431 0.111998 5C 1f0 0.002156 -0.050074 -0.021389 0.021236 0.093731 -0.026169 5C 1f+1 0.090192 -0.114382 0.024554 -0.005610 -0.054065 -0.030497 5C 1f-1 0.031875 -0.034457 0.018964 0.001010 -0.046897 0.002796 5C 1f+2 -0.057565 0.094974 0.033284 -0.011999 -0.061779 0.010911 5C 1f-2 -0.037574 -0.003976 -0.046510 0.023288 0.038764 0.023326 5C 1f+3 -0.013857 -0.000752 0.032634 0.016794 0.115369 -0.015251 5C 1f-3 0.035196 -0.102275 -0.003493 0.052565 0.022115 0.033396 6C 1s -0.000221 -0.000268 0.005102 -0.002853 -0.002684 -0.012640 6C 2s 0.000863 -0.000368 0.007583 -0.004087 -0.003238 -0.021218 6C 3s -0.089538 -0.011398 0.024198 -0.028615 -0.031354 0.154304 6C 4s 0.390703 0.090743 -0.364892 0.259624 0.236757 -0.070631 6C 5s -0.059988 0.020897 0.032833 0.022726 0.040275 0.376550 6C 1pz -0.005025 -0.006835 0.010641 -0.002713 -0.004866 -0.006994 6C 1px -0.002675 -0.005261 0.001695 -0.008549 0.001555 -0.003388 6C 1py 0.013070 0.008479 -0.017085 0.005848 0.007753 0.011793 6C 2pz -0.006858 -0.107882 0.028334 0.017459 -0.044893 -0.249913 6C 2px 0.132860 0.017780 -0.094600 -0.054662 0.036845 -0.165192 6C 2py -0.238225 -0.213876 -0.039745 0.059864 -0.004238 0.405258 6C 3pz 0.044250 0.109336 0.111272 0.034478 -0.005751 0.213459 6C 3px 0.024364 0.040506 -0.230634 -0.108739 0.010989 0.023835 6C 3py -0.056980 0.024480 -0.077112 -0.067433 0.020407 -0.295930 6C 1dz2 0.037988 0.058808 0.010459 -0.021628 -0.048121 -0.044771 6C 1dxz -0.016890 0.024809 0.048738 -0.024650 0.061754 -0.055542 6C 1dyz -0.022593 -0.035701 0.018308 0.004941 -0.015682 -0.021800 6C 1dx2y2 0.022327 0.048067 -0.017125 0.019492 0.025610 0.090501 6C 1dxy -0.003703 0.009890 -0.026044 -0.015981 0.071091 0.029276 6C 2dz2 -0.054713 -0.102816 0.047405 0.038423 -0.080739 -0.001465 6C 2dxz -0.023632 -0.041700 -0.016725 -0.068361 0.050043 -0.092259 6C 2dyz -0.065763 0.036982 0.001943 -0.061720 -0.031630 0.077780 6C 2dx2y2 -0.109572 -0.132055 -0.083329 0.005758 -0.001488 0.086893 6C 2dxy -0.058906 -0.043192 0.140378 0.015766 0.071402 0.103910 6C 1f0 0.002395 0.049709 0.025162 -0.021902 0.093366 0.025109 6C 1f+1 0.089540 0.114613 -0.025332 0.006189 -0.052910 0.029026 6C 1f-1 0.031596 0.034555 -0.019894 -0.000015 -0.046278 -0.002397 6C 1f+2 -0.057473 -0.094667 -0.035759 0.012486 -0.060998 -0.010170 6C 1f-2 -0.036444 0.003788 0.048138 -0.023727 0.037647 -0.018160 6C 1f+3 -0.014364 0.000449 -0.029955 -0.019119 0.116186 0.011342 6C 1f-3 0.035776 0.101973 0.005786 -0.051588 0.021989 -0.026897 7C 1s 0.002801 -0.000063 -0.003721 0.001210 0.001029 -0.014341 7C 2s 0.002704 0.000088 -0.005221 0.002463 0.001054 -0.024079 7C 3s 0.102395 -0.005627 -0.044867 -0.014038 0.030830 0.159091 7C 4s -0.522093 0.037771 0.379083 -0.005831 -0.162163 0.003539 7C 5s 0.043622 0.000423 0.046072 -0.057253 -0.009963 0.336350 7C 1pz 0.013556 -0.003877 -0.014164 0.009717 0.001817 -0.014898 7C 1px -0.004937 0.001652 -0.004978 0.006451 0.002207 -0.005915 7C 1py 0.008252 -0.003851 -0.010534 0.008916 0.002078 -0.012793 7C 2pz -0.089512 0.151569 0.012438 -0.104114 -0.032276 -0.432677 7C 2px 0.099064 0.080602 -0.002612 0.074457 0.153095 -0.075016 7C 2py -0.117137 -0.130650 -0.022044 -0.012293 0.003742 -0.272544 7C 3pz -0.096730 -0.068861 0.052204 -0.150420 -0.000961 0.287643 7C 3px -0.001983 0.012475 -0.176843 0.228105 0.038658 0.061265 7C 3py -0.054519 0.102000 -0.020438 -0.022753 0.033597 0.185356 7C 1dz2 -0.000731 -0.058698 -0.032693 0.025416 -0.029427 -0.043108 7C 1dxz -0.011526 -0.035931 -0.004261 -0.010447 0.031372 -0.061647 7C 1dyz -0.004227 0.032695 0.010639 0.003622 0.039252 -0.000990 7C 1dx2y2 -0.055543 -0.046020 0.035030 -0.007836 0.027466 0.106356 7C 1dxy 0.004829 -0.000379 0.008565 -0.023024 -0.084382 0.041244 7C 2dz2 0.018343 0.117977 0.059130 -0.100612 0.006225 -0.104640 7C 2dxz -0.020596 0.102505 -0.073589 0.086579 0.028155 -0.074963 7C 2dyz -0.131056 -0.047352 0.062909 -0.022495 0.011000 -0.091280 7C 2dx2y2 0.009670 0.072309 0.061285 0.034125 0.037581 0.082999 7C 2dxy -0.039209 0.019051 -0.080941 0.062712 -0.120564 -0.014511 7C 1f0 -0.054963 -0.041953 0.047615 -0.014241 0.069931 0.023506 7C 1f+1 -0.038157 -0.067575 -0.027840 0.026393 -0.106298 0.038426 7C 1f-1 -0.010412 0.013761 0.002781 -0.016314 -0.059350 -0.005677 7C 1f+2 0.049602 0.026059 -0.042532 0.008106 -0.035807 -0.028928 7C 1f-2 0.011867 0.086464 0.006979 0.024532 0.069968 -0.003623 7C 1f+3 -0.076979 -0.102587 -0.004646 0.035897 0.070237 0.010131 7C 1f-3 0.005830 0.111676 0.034388 -0.003688 0.032838 0.024919 8C 1s -0.000084 -0.000493 -0.000126 0.000366 0.000105 -0.000682 8C 2s -0.000560 -0.000564 -0.000116 0.000515 0.000268 0.001236 8C 3s 0.063829 0.012902 -0.021799 0.009756 0.012125 -0.094563 8C 4s -0.345681 -0.097069 0.118814 -0.055978 -0.066255 0.508147 8C 5s 0.007899 -0.030363 -0.126435 -0.055065 -0.001269 -0.646497 8C 1pz -0.016792 -0.024484 0.000096 0.005650 -0.001602 0.004719 8C 1px -0.005733 -0.004797 -0.006760 -0.001724 0.000131 0.002589 8C 1py 0.000812 -0.011228 -0.002258 0.002870 -0.000341 -0.013413 8C 2pz 0.232247 0.257817 -0.048120 -0.040058 0.013611 -0.141787 8C 2px 0.114230 0.065211 0.054109 0.046665 -0.020586 -0.079347 8C 2py -0.160402 0.016507 0.094043 -0.033991 -0.070823 0.268788 8C 3pz -0.001347 -0.032243 -0.003247 0.017842 -0.000647 0.040431 8C 3px 0.000104 0.000610 0.025096 0.030752 0.008881 0.065916 8C 3py -0.024099 -0.033561 -0.015441 0.003471 0.000585 -0.113608 8C 1dz2 0.009932 0.013170 0.002673 -0.000158 -0.001260 -0.000736 8C 1dxz 0.001876 0.010550 -0.001278 -0.005336 0.002012 0.002975 8C 1dyz 0.001181 -0.010374 -0.009516 0.002936 0.003686 -0.010318 8C 1dx2y2 0.019151 0.020846 -0.007572 -0.003600 0.003916 -0.005544 8C 1dxy 0.009013 0.006999 0.006082 0.002940 0.004945 -0.003858 8C 2dz2 -0.034131 -0.092954 0.006031 0.025372 0.003703 -0.020206 8C 2dxz -0.022277 -0.030928 -0.022709 0.004843 -0.053708 0.019515 8C 2dyz 0.075475 0.032257 -0.051203 -0.000868 0.027067 -0.088015 8C 2dx2y2 0.053076 0.025179 -0.047517 -0.009168 -0.028144 -0.070217 8C 2dxy 0.054018 0.048163 0.044314 0.018789 0.005828 -0.036544 8C 1f0 -0.019179 -0.013078 0.000971 -0.001950 0.020941 0.010834 8C 1f+1 0.002321 -0.009454 -0.008290 0.003986 -0.016940 -0.001604 8C 1f-1 0.000888 -0.008890 0.009088 0.007905 -0.019272 0.001473 8C 1f+2 -0.000489 0.010149 0.020444 0.003977 -0.011129 0.023283 8C 1f-2 -0.012359 0.001804 -0.005815 -0.008863 0.011865 0.012294 8C 1f+3 -0.002245 -0.005938 0.018468 0.006643 0.028768 -0.007528 8C 1f-3 -0.009879 -0.004617 0.028051 0.006799 0.005686 0.011276 9C 1s -0.000917 -0.000368 0.000458 -0.000359 -0.000263 -0.000630 9C 2s -0.000729 -0.000426 0.000628 -0.000513 -0.000245 0.001268 9C 3s -0.066425 0.005189 0.020297 -0.009228 -0.015950 -0.088151 9C 4s 0.357596 -0.039644 -0.127365 0.085583 0.077769 0.478288 9C 5s 0.083156 0.018703 -0.036560 0.173160 -0.033122 -0.590246 9C 1pz 0.011123 0.011224 0.001055 -0.000824 0.004209 0.010635 9C 1px 0.005852 0.010132 -0.004137 0.005508 0.002745 0.001997 9C 1py -0.004133 -0.022608 -0.004073 0.004533 -0.005438 0.010134 9C 2pz -0.207951 -0.045510 0.034873 -0.014420 -0.083809 -0.240681 9C 2px -0.082848 -0.086119 0.067304 -0.077263 -0.022146 -0.040965 9C 2py -0.075178 0.215708 0.083486 -0.069792 0.071250 -0.184877 9C 3pz -0.031346 0.021887 -0.005047 -0.027847 0.015559 0.098571 9C 3px 0.006569 0.011152 0.030527 -0.029957 -0.011061 0.032558 9C 3py -0.024971 -0.037663 0.014125 -0.016598 -0.014350 0.072878 9C 1dz2 0.001747 -0.019132 -0.001892 -0.002647 -0.004135 0.007403 9C 1dxz -0.001564 -0.014461 -0.009726 0.010207 -0.004218 0.004336 9C 1dyz 0.014790 0.006758 -0.002558 0.000422 0.007211 0.008093 9C 1dx2y2 -0.011083 -0.013861 0.000093 0.001805 -0.004134 -0.001193 9C 1dxy 0.004555 0.007257 -0.005148 0.005665 -0.002006 0.000559 9C 2dz2 0.071979 0.045802 0.013845 -0.025314 -0.005532 0.051732 9C 2dxz 0.006223 -0.009845 -0.043250 0.058323 -0.021596 0.028188 9C 2dyz 0.053437 -0.057623 -0.027923 0.013293 0.005207 0.093365 9C 2dx2y2 0.019429 0.050900 -0.002613 -0.002267 -0.022811 -0.032314 9C 2dxy 0.018415 0.059175 -0.020971 0.032985 0.056261 0.016040 9C 1f0 -0.015018 0.000431 -0.008737 0.017908 0.023658 -0.002205 9C 1f+1 -0.002358 -0.002858 0.009362 -0.014911 -0.019987 -0.005226 9C 1f-1 -0.010065 0.000302 -0.003555 0.005544 -0.017281 -0.021633 9C 1f+2 0.016697 -0.003995 0.002043 -0.009143 -0.003947 0.011455 9C 1f-2 -0.016484 -0.011306 0.021846 -0.023988 0.012953 -0.010272 9C 1f+3 -0.001190 0.012234 0.014580 -0.012290 0.031086 -0.002284 9C 1f-3 -0.008771 -0.007486 -0.003192 0.006521 0.001584 0.000956 10H 1s 0.012778 -0.009337 -0.006091 0.012320 -0.001641 -0.002264 10H 2s 0.048864 -0.049451 0.020387 -0.017067 0.004646 0.008044 10H 3s -0.018935 0.010817 0.005452 -0.005125 0.000775 0.063159 10H 1pz 0.010565 -0.012659 0.005788 -0.006680 0.000476 -0.003972 10H 1px -0.014255 0.012459 -0.000001 -0.002373 -0.000347 -0.000116 10H 1py 0.001873 -0.006929 0.002293 -0.004657 0.012248 -0.002823 11H 1s -0.003310 0.015489 0.001493 0.000963 -0.017773 -0.003142 11H 2s -0.010558 0.091183 0.022705 -0.031216 -0.066718 -0.007623 11H 3s 0.016742 -0.043972 0.006643 -0.010768 0.014184 0.047776 11H 1pz -0.003308 0.036634 0.008143 -0.006966 -0.013266 -0.008816 11H 1px -0.004021 0.017993 0.003422 -0.004498 -0.010498 -0.004000 11H 1py -0.003491 0.002314 -0.002280 0.001777 0.017354 -0.002131 12H 1s 0.001712 -0.018780 -0.005137 0.001630 0.026156 -0.002777 12H 2s 0.012048 -0.090362 -0.010098 -0.000529 0.082744 0.003566 12H 3s 0.005690 0.022827 -0.003926 -0.031802 -0.030194 0.045774 12H 1pz 0.011857 -0.008996 0.000022 0.002651 -0.015883 -0.003263 12H 1px -0.001116 -0.008995 -0.001965 0.000126 0.009200 -0.001144 12H 1py 0.012943 -0.038860 -0.004213 0.002276 0.025857 -0.003027 13H 1s 0.000702 -0.015356 -0.013059 0.002333 0.010396 -0.007991 13H 2s 0.024737 -0.063508 0.011626 0.035266 0.027017 0.003356 13H 3s 0.006107 0.020075 0.002296 -0.000014 -0.012369 0.079756 13H 1pz 0.008629 -0.019511 0.002058 0.007680 -0.002024 -0.004149 13H 1px -0.001907 0.011832 0.004264 -0.004829 -0.014656 0.002430 13H 1py -0.005396 0.011396 -0.005831 -0.006605 -0.003188 0.003635 14H 1s 0.015939 -0.022171 0.001104 0.002421 -0.019849 -0.004937 14H 2s 0.062794 -0.092986 0.002767 0.010544 -0.056541 0.004297 14H 3s -0.007911 0.023834 0.031233 -0.012266 0.016305 0.060340 14H 1pz 0.013980 -0.029667 -0.003065 0.005249 -0.004165 -0.004850 14H 1px 0.019682 -0.028420 0.000064 0.003217 -0.015737 -0.004217 14H 1py 0.003979 0.006828 0.006169 -0.001413 -0.016783 0.005877 15H 1s -0.009961 0.014070 -0.001080 -0.003576 0.010653 -0.002386 15H 2s -0.044772 0.098340 0.027223 -0.014211 0.038617 0.002956 15H 3s 0.027835 -0.043682 0.010027 0.020704 -0.007619 0.045072 15H 1pz 0.001442 -0.002553 -0.003672 0.000246 -0.015017 -0.001361 15H 1px -0.003680 0.011596 0.000572 -0.003404 -0.006845 -0.002058 15H 1py 0.022938 -0.039842 -0.004549 0.005633 -0.005437 0.005728 16H 1s -0.069736 -0.011570 0.005240 -0.087713 -0.061583 -0.118403 16H 2s -0.169954 -0.007373 -0.144864 -0.141395 -0.165626 -0.256658 16H 3s 0.005158 -0.002069 0.010116 -0.008053 0.018025 0.050626 16H 1pz -0.138009 -0.011452 -0.078615 -0.142902 -0.113726 -0.152531 16H 1px -0.121646 -0.025130 0.062849 -0.150856 -0.033584 -0.009371 16H 1py 0.029543 -0.007153 0.096372 0.018041 -0.013956 -0.135578 17H 1s -0.058047 -0.005766 -0.043860 -0.065648 -0.065958 -0.123292 17H 2s -0.174116 -0.023943 0.015597 -0.187304 -0.180004 -0.239997 17H 3s 0.005314 0.001311 -0.010600 0.001861 0.020577 0.049188 17H 1pz 0.167716 0.014359 0.105782 0.175919 0.108092 0.105675 17H 1px 0.028832 0.014115 -0.095501 0.046931 0.054366 0.066424 17H 1py 0.031979 0.010629 -0.053491 0.041316 -0.036609 -0.170342 18H 1s 0.057610 -0.006069 -0.043542 -0.066417 0.066730 -0.124726 18H 2s 0.173814 -0.023703 0.013855 -0.189344 0.177937 -0.248695 18H 3s -0.005551 0.001363 -0.011304 0.002610 -0.020187 0.051302 18H 1pz 0.165160 -0.013935 -0.110033 -0.175227 0.109850 -0.109476 18H 1px 0.030143 -0.014241 0.097479 -0.047604 0.051869 -0.072071 18H 1py 0.037628 -0.010821 0.050552 -0.045513 -0.035811 0.169607 19H 1s 0.070247 -0.011963 0.005663 -0.088219 0.059257 -0.119731 19H 2s 0.169728 -0.006849 -0.148469 -0.142680 0.164873 -0.257089 19H 3s -0.004670 -0.002089 0.009007 -0.008252 -0.018133 0.051849 19H 1pz -0.138980 0.011338 0.082870 0.144773 -0.112087 0.149696 19H 1px -0.123051 0.025176 -0.061178 0.150991 -0.029668 0.008231 19H 1py 0.022710 0.008119 -0.097928 -0.012283 -0.013820 0.142764 20H 1s 0.010066 0.014156 -0.001293 -0.003344 -0.010904 -0.002072 20H 2s 0.045283 0.098096 0.026671 -0.013051 -0.040276 0.005240 20H 3s -0.028011 -0.043413 0.009722 0.020787 0.007568 0.043928 20H 1pz 0.001763 0.002676 0.003306 0.000062 -0.015505 0.001542 20H 1px -0.003703 -0.011652 -0.000877 0.003437 -0.006568 0.001781 20H 1py 0.022917 0.039748 0.004542 -0.005459 -0.005680 -0.004970 21H 1s -0.015887 -0.022112 0.001342 0.001851 0.019749 -0.005119 21H 2s -0.062345 -0.092940 0.003876 0.009319 0.056496 0.003662 21H 3s 0.008126 0.023972 0.030948 -0.011589 -0.017123 0.058050 21H 1pz 0.014124 0.029810 0.003213 -0.004981 -0.004484 0.005178 21H 1px 0.019459 0.028247 -0.000292 -0.002805 -0.015581 0.004208 21H 1py 0.003884 -0.006857 -0.006822 0.001675 -0.016806 -0.005829 22H 1s -0.000754 -0.014972 -0.013645 0.002184 -0.009740 -0.008280 22H 2s -0.023835 -0.062088 0.010495 0.034485 -0.026037 0.001466 22H 3s -0.006039 0.019684 0.002945 0.000163 0.012066 0.076874 22H 1pz 0.008342 0.018951 -0.001958 -0.007236 -0.002305 0.004421 22H 1px -0.001910 -0.011631 -0.004854 0.004814 -0.014203 -0.002615 22H 1py -0.005183 -0.011216 0.005633 0.006533 -0.003409 -0.003728 23H 1s -0.001577 -0.018400 -0.005712 0.002152 -0.025941 -0.002080 23H 2s -0.011337 -0.089845 -0.010965 0.000239 -0.083132 0.006080 23H 3s -0.005221 0.023506 -0.002569 -0.032563 0.030141 0.043795 23H 1pz 0.011983 0.009348 -0.000669 -0.002427 -0.015862 0.002893 23H 1px -0.001160 0.008685 0.001916 -0.000258 0.008611 0.000798 23H 1py 0.012700 0.038736 0.004460 -0.002591 0.026209 0.001862 24H 1s 0.003033 0.015412 0.002026 0.000742 0.018286 -0.003748 24H 2s 0.010087 0.089829 0.024468 -0.032080 0.067458 -0.010254 24H 3s -0.015519 -0.042478 0.007303 -0.010860 -0.014999 0.048644 24H 1pz -0.003421 -0.036308 -0.008018 0.007189 -0.013162 0.010030 24H 1px -0.003861 -0.017894 -0.003807 0.004753 -0.011183 0.004610 24H 1py -0.003724 -0.002467 0.003022 -0.001875 0.017485 0.002410 25H 1s -0.012415 -0.008380 -0.006209 0.012302 0.001645 -0.001909 25H 2s -0.047451 -0.045650 0.020655 -0.017283 -0.006359 0.009102 25H 3s 0.018940 0.010018 0.005129 -0.005322 -0.000455 0.062112 25H 1pz 0.010462 0.011948 -0.005999 0.006680 0.000557 0.003563 25H 1px -0.013719 -0.011346 0.000023 0.002347 -0.000838 0.000472 25H 1py 0.001484 0.006280 -0.002029 0.004621 0.012233 0.002644 26O 1s 0.000039 0.000121 -0.000493 0.000813 -0.000442 -0.002329 26O 2s -0.000789 0.000452 -0.002346 0.003045 -0.001905 -0.008970 26O 3s 0.033261 -0.005500 0.040440 -0.036427 0.035505 0.132022 26O 4s -0.125749 0.013991 -0.105709 0.061988 -0.119213 -0.343035 26O 5s -0.147137 -0.008820 0.042215 -0.164426 -0.121566 0.023231 26O 1pz 0.004787 -0.014445 -0.009507 0.006263 -0.016194 0.003132 26O 1px -0.004819 -0.008404 -0.013535 0.012581 -0.017047 -0.031146 26O 1py -0.017020 0.028389 -0.008214 0.003965 0.021802 -0.010530 26O 2pz -0.018531 0.053123 0.014766 0.001635 0.060355 -0.012046 26O 2px 0.094729 0.035533 0.062714 -0.011198 0.107804 0.177901 26O 2py 0.098686 -0.102681 0.030180 0.016208 -0.050190 0.065498 26O 3pz -0.043821 -0.073178 0.088213 -0.203082 0.040441 0.059617 26O 3px -0.018294 -0.049243 0.066821 -0.092479 0.080987 0.039175 26O 3py 0.003158 0.043482 0.203065 -0.131917 -0.053738 0.070279 26O 1dz2 -0.030123 0.291311 0.086170 -0.001200 -0.317193 -0.054201 26O 1dxz -0.001854 0.054240 0.087525 -0.111331 -0.014210 0.012280 26O 1dyz -0.011377 -0.177813 -0.060494 0.016242 0.212218 -0.061549 26O 1dx2y2 -0.051940 0.142771 -0.020247 0.056224 -0.072720 -0.015059 26O 1dxy -0.014912 0.094922 0.045198 -0.017068 -0.204493 -0.025545 26O 2dz2 0.048880 -0.201424 -0.034469 -0.006778 0.221956 0.079880 26O 2dxz 0.021671 -0.070524 -0.042197 0.064924 -0.028919 -0.025671 26O 2dyz 0.009710 0.110991 0.047222 -0.012884 -0.156689 0.029256 26O 2dx2y2 0.034929 -0.138671 -0.010157 -0.010842 -0.003085 -0.034486 26O 2dxy -0.052514 -0.016415 -0.057791 0.007303 0.154194 -0.049748 26O 1f0 0.021835 -0.017516 0.005844 0.009749 -0.033843 -0.034251 26O 1f+1 -0.040306 0.077086 -0.004563 0.001663 -0.030846 -0.053430 26O 1f-1 -0.029940 0.053013 -0.004476 -0.013568 0.022252 -0.026102 26O 1f+2 -0.047178 0.087926 -0.004195 -0.007354 0.046299 0.032165 26O 1f-2 -0.010028 -0.017204 -0.001846 -0.015946 0.054785 0.031997 26O 1f+3 0.076973 -0.118214 0.014594 0.026586 -0.093998 0.011157 26O 1f-3 -0.020449 -0.016269 -0.042727 0.016935 0.054331 -0.078668 27O 1s -0.000680 0.000048 -0.000490 -0.000833 -0.000148 -0.002609 27O 2s -0.001976 0.000245 -0.001337 -0.003170 -0.000083 -0.009825 27O 3s 0.016964 -0.004398 0.002727 0.047024 -0.008660 0.140847 27O 4s -0.040385 0.024214 0.034380 -0.118353 0.043659 -0.368753 27O 5s -0.002124 0.033305 0.185592 -0.020960 -0.012753 0.080058 27O 1pz 0.001143 0.025562 0.004274 -0.006158 -0.027901 0.007518 27O 1px 0.001327 0.005672 0.008716 -0.012467 -0.002498 -0.029574 27O 1py -0.003538 0.018491 -0.001068 -0.001664 -0.025192 0.000871 27O 2pz 0.008461 -0.094094 -0.025957 0.021772 0.102937 -0.039799 27O 2px -0.008493 -0.030582 -0.109939 0.070892 -0.017724 0.164358 27O 2py 0.010592 -0.063461 0.035331 0.010202 0.092475 -0.002012 27O 3pz -0.005624 0.088912 0.069360 0.095013 0.043161 0.102592 27O 3px 0.078060 0.008216 0.116237 0.112811 0.022590 0.101238 27O 3py -0.027991 0.045144 -0.223718 -0.059434 0.044167 -0.137988 27O 1dz2 0.258521 -0.305810 0.044532 0.027629 -0.261535 0.010202 27O 1dxz -0.020739 -0.041671 0.074662 0.039733 0.060185 0.050480 27O 1dyz -0.123219 0.131119 0.047935 0.015755 0.054952 0.148145 27O 1dx2y2 0.138022 -0.172573 -0.014282 -0.002954 -0.098636 -0.006224 27O 1dxy -0.061585 0.051866 -0.098399 -0.023667 0.109319 -0.012177 27O 2dz2 -0.170322 0.199400 -0.044047 0.001786 0.172768 0.037926 27O 2dxz -0.003068 0.079428 -0.025517 -0.044293 -0.109907 -0.027440 27O 2dyz 0.084792 -0.101989 -0.028453 -0.003639 -0.018510 -0.097191 27O 2dx2y2 -0.092537 0.134945 0.035258 -0.038513 0.056672 -0.059435 27O 2dxy 0.030185 0.002484 0.051454 0.004066 -0.122120 0.044193 27O 1f0 -0.017758 0.065951 0.019415 -0.034511 -0.079185 -0.014868 27O 1f+1 0.046831 -0.067631 0.012852 -0.012285 -0.028525 -0.059004 27O 1f-1 -0.003515 0.035218 0.000390 -0.006574 -0.035891 0.014423 27O 1f+2 0.010301 -0.055968 -0.035346 0.030181 0.095779 0.008334 27O 1f-2 -0.028774 0.068311 -0.000501 -0.027432 -0.055244 0.011906 27O 1f+3 -0.049447 0.097065 0.027466 -0.048608 -0.055014 -0.035030 27O 1f-3 0.014483 0.018640 -0.006664 -0.006377 -0.079226 0.072239 28O 1s 0.000790 -0.000092 0.000117 -0.000770 0.000300 -0.002750 28O 2s 0.001854 -0.000334 0.000026 -0.002715 0.001007 -0.010339 28O 3s -0.005083 0.002893 0.014704 0.033082 -0.011524 0.149263 28O 4s -0.008659 0.009056 -0.079702 -0.067064 0.024959 -0.402277 28O 5s -0.044014 0.035684 -0.181658 0.031764 0.080696 0.081326 28O 1pz -0.012915 -0.016223 -0.010750 0.003444 0.018742 -0.016796 28O 1px 0.004007 -0.010707 0.003934 0.001151 0.008550 0.028312 28O 1py -0.003293 0.027184 0.002106 -0.000495 -0.033578 0.002037 28O 2pz 0.063493 0.045105 0.105974 -0.034314 -0.073543 0.100432 28O 2px -0.049249 0.048091 -0.069836 0.002647 -0.027440 -0.167791 28O 2py 0.016587 -0.104249 0.003792 -0.012023 0.117745 -0.007857 28O 3pz -0.084629 0.003931 -0.084138 0.263803 -0.039860 0.128870 28O 3px 0.052238 -0.025742 -0.002729 -0.041169 0.019046 -0.007350 28O 3py -0.044125 0.106152 -0.147823 0.096220 0.047662 0.050581 28O 1dz2 -0.136388 0.242662 -0.052385 0.038971 0.095049 -0.025584 28O 1dxz -0.130136 0.158712 0.013278 -0.025780 0.142894 -0.037037 28O 1dyz 0.036449 -0.107930 0.008858 -0.008981 -0.015251 -0.091869 28O 1dx2y2 -0.186297 0.220859 0.039981 -0.099996 0.180950 -0.067660 28O 1dxy 0.063559 -0.074381 0.079123 -0.081140 -0.135486 -0.063947 28O 2dz2 0.093867 -0.199557 0.006096 -0.017171 -0.009920 0.001533 28O 2dxz 0.107749 -0.094825 0.031515 0.021638 -0.114955 0.104859 28O 2dyz -0.026851 0.103512 0.005131 0.007423 -0.026271 0.047457 28O 2dx2y2 0.104973 -0.138990 -0.033273 0.053614 -0.136211 0.002591 28O 2dxy -0.035735 0.004978 -0.059102 0.042609 0.146959 0.053458 28O 1f0 -0.047894 0.123835 0.024469 -0.008000 -0.060511 -0.020130 28O 1f+1 -0.005910 -0.050955 -0.050968 0.003447 0.091746 -0.080049 28O 1f-1 0.009159 -0.029089 -0.016484 0.009401 0.016193 0.011586 28O 1f+2 0.011749 0.018758 0.019030 -0.001365 -0.022566 0.061038 28O 1f-2 0.001227 0.072690 0.025718 0.009391 -0.104903 -0.024361 28O 1f+3 -0.030203 0.061245 0.001618 0.003504 0.017922 0.007154 28O 1f-3 0.011020 0.019241 0.016499 0.011118 -0.084207 -0.032022 29O 1s 0.001899 0.000273 0.000531 0.002478 0.001791 0.003255 29O 2s 0.007340 0.000999 0.002180 0.009230 0.006813 0.011336 29O 3s -0.117320 -0.015023 -0.037007 -0.141383 -0.112025 -0.178079 29O 4s 0.270934 0.035108 0.088234 0.331006 0.243830 0.339402 29O 5s 0.149172 0.006192 0.056640 0.089589 0.221088 0.458566 29O 1pz 0.015023 0.003177 -0.008329 0.018752 0.007538 0.010357 29O 1px -0.023095 -0.002189 -0.013276 -0.023101 -0.016271 -0.020924 29O 1py 0.034667 0.003937 0.015689 0.041094 0.027516 0.038839 29O 2pz -0.078108 -0.013212 0.013628 -0.089964 -0.048840 -0.092952 29O 2px 0.122977 0.012616 0.057380 0.127617 0.113392 0.206244 29O 2py -0.184162 -0.020573 -0.076076 -0.210904 -0.157391 -0.227417 29O 3pz -0.002989 0.017946 -0.176386 0.036340 0.013875 0.059780 29O 3px 0.053205 0.013731 -0.035694 0.087846 -0.033845 -0.225591 29O 3py -0.030279 -0.000148 0.012406 0.011247 -0.056715 -0.013487 29O 1dz2 0.202802 -0.010651 0.373024 0.171804 0.115604 0.028104 29O 1dxz 0.298251 0.087787 -0.378427 0.413941 0.127787 0.230862 29O 1dyz -0.176536 0.028992 -0.510707 -0.128487 -0.062290 0.025724 29O 1dx2y2 0.128917 0.034342 -0.147186 0.160306 -0.029466 -0.653490 29O 1dxy 0.538906 0.071116 0.130478 0.621158 0.132427 -0.038016 29O 2dz2 -0.125436 0.009630 -0.259244 -0.103476 -0.045432 0.074440 29O 2dxz -0.198713 -0.059611 0.264503 -0.278452 -0.060451 -0.090147 29O 2dyz 0.138021 -0.018398 0.358812 0.105206 0.051464 -0.004899 29O 2dx2y2 -0.101097 -0.025392 0.099494 -0.124858 0.010493 0.438471 29O 2dxy -0.405658 -0.053003 -0.101784 -0.468008 -0.140044 -0.049840 29O 1f0 -0.030294 -0.009775 0.034438 -0.044338 -0.056132 -0.162719 29O 1f+1 0.018597 0.011134 -0.076276 0.036604 0.025456 0.084702 29O 1f-1 -0.025223 -0.004812 0.013365 -0.031740 -0.046300 -0.095728 29O 1f+2 0.026571 -0.009431 0.121058 0.014070 0.037854 0.097697 29O 1f-2 0.025748 0.008133 -0.046302 0.033924 -0.024024 -0.053070 29O 1f+3 0.097525 0.016050 -0.014329 0.111196 0.045079 0.039389 29O 1f-3 0.027727 -0.000751 0.050658 0.024865 0.030861 0.091998 30O 1s -0.000471 -0.000085 0.001049 0.000234 0.000221 -0.002333 30O 2s -0.000962 -0.000298 0.004398 0.000479 0.001372 -0.008902 30O 3s -0.002214 0.003295 -0.067689 0.004888 -0.030573 0.132167 30O 4s 0.021462 0.000946 0.167812 -0.044306 0.104488 -0.361593 30O 5s 0.089432 0.043843 -0.051324 -0.085943 0.053520 0.009540 30O 1pz -0.008578 0.027105 0.013628 -0.007720 0.030054 -0.010303 30O 1px -0.005603 0.006464 -0.010732 0.001528 0.001010 0.025121 30O 1py -0.017882 0.018740 -0.014444 0.002360 0.014135 0.008887 30O 2pz 0.023200 -0.105021 -0.043544 0.052208 -0.123185 0.078368 30O 2px 0.053833 -0.024319 0.065446 -0.039318 0.033227 -0.156334 30O 2py 0.082720 -0.059887 0.044624 -0.044554 -0.026636 -0.077857 30O 3pz 0.051309 0.070232 -0.121328 -0.142209 -0.087819 0.036442 30O 3px 0.007143 0.028363 0.025395 -0.034573 0.018384 -0.018573 30O 3py -0.015182 0.020010 0.289012 0.040410 -0.018005 -0.043749 30O 1dz2 0.050213 -0.197377 -0.100253 0.030015 0.127828 0.010686 30O 1dxz 0.024762 -0.185212 -0.054857 0.073799 0.286871 -0.028748 30O 1dyz -0.038095 0.139943 0.016057 -0.044799 -0.149505 0.083695 30O 1dx2y2 0.053544 -0.186119 0.076262 0.103449 0.181512 0.007875 30O 1dxy 0.007981 -0.069208 -0.055743 0.006208 0.157658 0.020074 30O 2dz2 -0.081928 0.183812 0.043396 -0.015587 -0.044604 0.006703 30O 2dxz -0.003639 0.092457 0.007227 -0.040104 -0.243945 0.068982 30O 2dyz 0.027014 -0.107887 -0.023801 0.038556 0.076310 -0.008922 30O 2dx2y2 -0.036882 0.129658 -0.022039 -0.067472 -0.104429 -0.010614 30O 2dxy 0.038741 0.012491 0.071993 -0.024692 -0.116881 -0.071955 30O 1f0 0.047687 -0.073887 0.028303 0.009392 0.016024 -0.038984 30O 1f+1 -0.068556 0.065536 -0.012958 0.013854 0.104306 -0.023424 30O 1f-1 -0.085130 0.120702 0.000017 -0.002246 0.062780 -0.005543 30O 1f+2 0.011145 0.007903 0.011153 -0.010724 -0.063601 -0.000783 30O 1f-2 0.014311 -0.017490 -0.028651 0.008529 -0.016805 0.070457 30O 1f+3 0.048577 -0.068096 0.012735 -0.009167 -0.025155 -0.054512 30O 1f-3 -0.001866 -0.031963 -0.027634 0.023525 0.038646 0.037394 31O 1s 0.000500 -0.000097 0.001017 0.000206 -0.000249 -0.002212 31O 2s 0.001092 -0.000339 0.004294 0.000402 -0.001485 -0.008337 31O 3s 0.000162 0.003851 -0.066299 0.005499 0.032305 0.121270 31O 4s -0.016528 -0.000917 0.163599 -0.045585 -0.108900 -0.323700 31O 5s -0.096225 0.044313 -0.055959 -0.085721 -0.056844 0.015991 31O 1pz -0.009225 -0.027162 -0.013371 0.007095 0.030109 0.008912 31O 1px -0.004962 -0.006531 0.010777 -0.001610 0.000759 -0.024259 31O 1py -0.017168 -0.018817 0.015132 -0.002292 0.013785 -0.007558 31O 2pz 0.025539 0.104939 0.041972 -0.049861 -0.123557 -0.066439 31O 2px 0.050757 0.024856 -0.064485 0.039468 0.035059 0.142460 31O 2py 0.080137 0.060467 -0.046042 0.044203 -0.025233 0.066379 31O 3pz 0.050537 -0.070135 0.116799 0.142282 -0.091512 -0.026734 31O 3px 0.009116 -0.028119 -0.022979 0.034783 0.020067 0.009034 31O 3py -0.016493 -0.019695 -0.287265 -0.039087 -0.010032 0.028220 31O 1dz2 -0.050997 -0.196564 -0.106857 0.031195 -0.125906 0.005880 31O 1dxz -0.025474 -0.183740 -0.065733 0.076884 -0.286276 -0.034618 31O 1dyz 0.038397 0.139498 0.022511 -0.045771 0.150393 0.081945 31O 1dx2y2 -0.053525 -0.185285 0.068679 0.104629 -0.184717 0.005763 31O 1dxy -0.008197 -0.068393 -0.061926 0.007445 -0.155965 0.018962 31O 2dz2 0.081872 0.183440 0.047053 -0.015547 0.044049 0.009383 31O 2dxz 0.002983 0.091544 0.015233 -0.043012 0.244022 0.067034 31O 2dyz -0.027738 -0.107484 -0.027522 0.038915 -0.076525 -0.012397 31O 2dx2y2 0.037569 0.129139 -0.017283 -0.067948 0.106029 -0.007813 31O 2dxy -0.037179 0.011723 0.076295 -0.025664 0.114735 -0.065196 31O 1f0 0.046451 0.073812 -0.027286 -0.009408 0.016753 0.038219 31O 1f+1 -0.068565 -0.065794 0.015189 -0.015650 0.103636 0.021330 31O 1f-1 -0.085201 -0.120838 0.000444 0.000993 0.062137 0.004023 31O 1f+2 0.010986 -0.007752 -0.013102 0.011705 -0.063108 0.000666 31O 1f-2 0.016113 0.017374 0.028837 -0.007921 -0.017154 -0.065745 31O 1f+3 0.047614 0.068331 -0.012811 0.009731 -0.024447 0.051885 31O 1f-3 -0.000763 0.031655 0.029597 -0.023526 0.038157 -0.034231 32O 1s -0.001889 0.000281 0.000502 0.002481 -0.001761 0.003284 32O 2s -0.007323 0.001027 0.002135 0.009269 -0.006716 0.011440 32O 3s 0.117256 -0.015360 -0.036974 -0.142290 0.110662 -0.179971 32O 4s -0.271117 0.035781 0.089272 0.333109 -0.241052 0.342042 32O 5s -0.148461 0.005736 0.058042 0.092293 -0.219344 0.470355 32O 1pz 0.014418 -0.003122 0.008702 -0.017805 0.006036 -0.009415 32O 1px -0.023180 0.002238 0.013707 0.023506 -0.016597 0.021393 32O 1py 0.034688 -0.004015 -0.015760 -0.041488 0.027327 -0.039317 32O 2pz -0.075105 0.012831 -0.014873 0.085279 -0.040747 0.086838 32O 2px 0.123859 -0.012938 -0.059080 -0.130432 0.114832 -0.211042 32O 2py -0.184505 0.020874 0.077360 0.213113 -0.156271 0.230353 32O 3pz 0.000361 -0.018422 0.179085 -0.038292 0.010318 -0.067516 32O 3px 0.054033 -0.013453 0.032195 -0.087091 -0.034648 0.229098 32O 3py -0.030105 -0.000687 -0.008341 -0.011462 -0.056256 0.017913 32O 1dz2 -0.203836 -0.012249 0.399407 0.177085 -0.125975 0.020592 32O 1dxz -0.297503 0.087193 -0.381847 0.405814 -0.109715 0.238820 32O 1dyz 0.148727 0.031651 -0.512162 -0.106389 0.067213 0.027367 32O 1dx2y2 -0.126843 0.031669 -0.133015 0.152386 0.034234 -0.658104 32O 1dxy -0.547086 0.072886 0.135327 0.631639 -0.130167 -0.051473 32O 2dz2 0.126121 0.010834 -0.278125 -0.107118 0.053780 0.081277 32O 2dxz 0.197787 -0.059031 0.266573 -0.271735 0.046730 -0.093371 32O 2dyz -0.119565 -0.020178 0.359938 0.090184 -0.054953 -0.003573 32O 2dx2y2 0.099746 -0.023528 0.089482 -0.119343 -0.014587 0.442181 32O 2dxy 0.411340 -0.054310 -0.105140 -0.475997 0.138017 -0.040591 32O 1f0 -0.030079 0.009806 -0.034222 0.043345 -0.051410 0.159121 32O 1f+1 0.020473 -0.011368 0.075768 -0.037482 0.025295 -0.092330 32O 1f-1 -0.026611 0.005888 -0.020001 0.034114 -0.046211 0.102903 32O 1f+2 0.024205 0.009689 -0.124596 -0.013605 0.042566 -0.102665 32O 1f-2 0.025416 -0.007909 0.046254 -0.032236 -0.025899 0.050019 32O 1f+3 0.098573 -0.016186 0.014853 -0.112175 0.042256 -0.037176 32O 1f-3 0.028318 0.000020 -0.046989 -0.027209 0.031683 -0.090347 33O 1s -0.000821 -0.000090 0.000123 -0.000761 -0.000329 -0.002715 33O 2s -0.001983 -0.000343 0.000078 -0.002676 -0.001095 -0.010186 33O 3s 0.007193 0.003377 0.013055 0.032367 0.012208 0.146618 33O 4s 0.002690 0.006328 -0.073212 -0.064481 -0.024646 -0.394538 33O 5s 0.045374 0.034277 -0.174434 0.034642 -0.070538 0.081543 33O 1pz -0.012130 0.016253 0.011079 -0.003554 0.018576 0.015439 33O 1px 0.003408 0.010619 -0.003639 -0.001238 0.008564 -0.028180 33O 1py -0.003200 -0.027059 -0.002699 0.001016 -0.033580 -0.001169 33O 2pz 0.059231 -0.046490 -0.104340 0.035536 -0.070418 -0.094403 33O 2px -0.045617 -0.046682 0.065358 -0.003372 -0.029334 0.166086 33O 2py 0.016046 0.103453 -0.001589 0.010178 0.118483 0.004091 33O 3pz -0.083683 -0.002949 0.084353 -0.263630 -0.046012 -0.128682 33O 3px 0.052144 0.026478 0.000423 0.041558 0.018175 0.002668 33O 3py -0.043075 -0.106087 0.149342 -0.097127 0.041131 -0.039468 33O 1dz2 0.136113 0.243512 -0.058661 0.038972 -0.092850 -0.037460 33O 1dxz 0.130377 0.159686 0.005092 -0.025318 -0.143422 -0.046068 33O 1dyz -0.036094 -0.108327 0.011987 -0.007958 0.014047 -0.086508 33O 1dx2y2 0.186773 0.221647 0.031636 -0.098177 -0.182896 -0.080865 33O 1dxy -0.062591 -0.075123 0.084773 -0.081519 0.131683 -0.056701 33O 2dz2 -0.094151 -0.200098 0.009520 -0.016220 0.009098 0.011851 33O 2dxz -0.105966 -0.094819 0.035442 0.020841 0.114824 0.108794 33O 2dyz 0.026719 0.103367 0.003802 0.006381 0.026915 0.042994 33O 2dx2y2 -0.106253 -0.139910 -0.026382 0.052334 0.137157 0.012110 33O 2dxy 0.035204 0.005849 -0.063893 0.043713 -0.144583 0.049625 33O 1f0 -0.047794 -0.123433 -0.024527 0.009544 -0.059896 0.024485 33O 1f+1 -0.003857 0.051080 0.052884 -0.004621 0.091438 0.076636 33O 1f-1 0.008946 0.028807 0.016146 -0.009725 0.015303 -0.012574 33O 1f+2 0.010275 -0.019132 -0.019336 0.001294 -0.023033 -0.059743 33O 1f-2 0.001536 -0.071998 -0.027333 -0.007745 -0.104280 0.025545 33O 1f+3 -0.030689 -0.061601 -0.000024 -0.003579 0.017189 -0.004186 33O 1f-3 0.011340 -0.018571 -0.018810 -0.010123 -0.083914 0.031230 34O 1s 0.000702 0.000039 -0.000494 -0.000818 0.000167 -0.002502 34O 2s 0.002074 0.000215 -0.001339 -0.003102 0.000129 -0.009352 34O 3s -0.018527 -0.004022 0.002500 0.045492 0.008616 0.132157 34O 4s 0.043923 0.023163 0.035542 -0.112364 -0.045059 -0.339116 34O 5s -0.003748 0.034132 0.187667 -0.014372 0.003558 0.070241 34O 1pz 0.001056 -0.025390 -0.005160 0.006508 -0.027767 -0.008278 34O 1px 0.000282 -0.005563 -0.008962 0.012590 -0.002305 0.027815 34O 1py -0.003170 -0.018403 0.000365 0.001714 -0.025197 0.000038 34O 2pz 0.008665 0.093456 0.029135 -0.023212 0.102198 0.041544 34O 2px -0.004269 0.030118 0.111758 -0.067760 -0.021065 -0.148892 34O 2py 0.009410 0.063229 -0.032664 -0.011029 0.093513 -0.002083 34O 3pz -0.005250 -0.089291 -0.068010 -0.095746 0.044842 -0.098336 34O 3px 0.074654 -0.008574 -0.116921 -0.111092 0.023353 -0.092079 34O 3py -0.026233 -0.045091 0.225670 0.058709 0.038103 0.125700 34O 1dz2 -0.256957 -0.307329 0.049362 0.021440 0.260826 0.002712 34O 1dxz 0.021279 -0.041383 0.072455 0.039717 -0.061896 0.047411 34O 1dyz 0.123329 0.131432 0.046027 0.016010 -0.056255 0.144118 34O 1dx2y2 -0.137860 -0.173149 -0.011929 -0.004192 0.099056 -0.007607 34O 1dxy 0.060672 0.052542 -0.100907 -0.022249 -0.106681 -0.009914 34O 2dz2 0.168462 0.200444 -0.047578 0.005227 -0.171765 0.039465 34O 2dxz 0.002690 0.078915 -0.021553 -0.044982 0.110423 -0.025172 34O 2dyz -0.084689 -0.102141 -0.027989 -0.003776 0.019291 -0.094089 34O 2dx2y2 0.093992 0.135103 0.034873 -0.036859 -0.057693 -0.052282 34O 2dxy -0.029944 0.001899 0.054661 0.002336 0.120820 0.040568 34O 1f0 -0.018180 -0.065684 -0.022701 0.035105 -0.078637 0.013684 34O 1f+1 0.045078 0.067778 -0.013097 0.013396 -0.028310 0.057186 34O 1f-1 -0.003113 -0.035041 -0.001699 0.006722 -0.035795 -0.013702 34O 1f+2 0.010690 0.055419 0.038773 -0.031081 0.094730 -0.006317 34O 1f-2 -0.028831 -0.068132 -0.001784 0.027895 -0.055349 -0.011450 34O 1f+3 -0.050800 -0.096617 -0.030047 0.048986 -0.054350 0.031253 34O 1f-3 0.015980 -0.018417 0.004120 0.006964 -0.079212 -0.068328 35O 1s -0.000049 0.000115 -0.000499 0.000779 0.000444 -0.002336 35O 2s 0.000724 0.000414 -0.002334 0.002932 0.001910 -0.008957 35O 3s -0.031970 -0.004626 0.039394 -0.034889 -0.035332 0.131019 35O 4s 0.122084 0.010432 -0.101732 0.057272 0.117028 -0.338067 35O 5s 0.153771 -0.010730 0.048713 -0.168257 0.119080 0.020932 35O 1pz 0.005263 0.014558 0.008726 -0.006405 -0.016253 -0.004096 35O 1px -0.004107 0.008609 0.012806 -0.012559 -0.016987 0.030693 35O 1py -0.016556 -0.028448 0.008905 -0.004344 0.021589 0.011424 35O 2pz -0.019886 -0.054002 -0.011767 -0.001229 0.059500 0.015666 35O 2px 0.091531 -0.037834 -0.057419 0.009659 0.105530 -0.173315 35O 2py 0.096998 0.102018 -0.031563 -0.015744 -0.050721 -0.068380 35O 3pz -0.044611 0.073648 -0.087451 0.201582 0.046274 -0.064829 35O 3px -0.017455 0.048690 -0.064421 0.089545 0.083392 -0.042166 35O 3py 0.001773 -0.043315 -0.204190 0.131441 -0.047311 -0.062107 35O 1dz2 0.031276 0.290115 0.092256 -0.006856 0.317726 -0.070853 35O 1dxz 0.002321 0.054275 0.086859 -0.111648 0.010276 0.010053 35O 1dyz 0.011146 -0.176953 -0.063251 0.019451 -0.210821 -0.051551 35O 1dx2y2 0.051896 0.142203 -0.019319 0.054027 0.075150 -0.019631 35O 1dxy 0.015360 0.093884 0.049664 -0.020689 0.203695 -0.031586 35O 2dz2 -0.048690 -0.200223 -0.039191 -0.002918 -0.222263 0.090737 35O 2dxz -0.021979 -0.071006 -0.040063 0.064812 0.030588 -0.022852 35O 2dyz -0.009383 0.110170 0.049481 -0.015300 0.155446 0.022461 35O 2dx2y2 -0.036074 -0.139036 -0.007927 -0.009765 0.001345 -0.028465 35O 2dxy 0.051293 -0.016187 -0.061203 0.009422 -0.153624 -0.046471 35O 1f0 0.022341 0.017879 -0.007286 -0.009538 -0.033429 0.033372 35O 1f+1 -0.039422 -0.076535 0.004057 -0.001129 -0.030986 0.056385 35O 1f-1 -0.029679 -0.053039 0.005678 0.013584 0.022299 0.027758 35O 1f+2 -0.047592 -0.088287 0.006928 0.007275 0.045433 -0.029134 35O 1f-2 -0.010659 0.016687 0.002981 0.015228 0.054837 -0.033222 35O 1f+3 0.077240 0.118906 -0.019207 -0.026387 -0.093260 -0.015127 35O 1f-3 -0.018599 0.016579 0.043555 -0.018015 0.053751 0.077140 696 697 698 699 700 701 6.49901 6.50483 6.51042 6.52089 6.55153 6.56522 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s -0.000653 0.000191 0.000305 0.001842 0.000147 -0.000020 0Rh 2s 0.004233 -0.001298 -0.002052 -0.012188 -0.000998 0.000506 0Rh 3s -0.001484 0.000396 0.000648 0.004041 0.000306 0.000179 0Rh 4s -0.027871 0.008483 0.013436 0.080094 0.006523 -0.003039 0Rh 5s 0.078971 -0.023975 -0.038006 -0.227301 -0.018278 0.009206 0Rh 6s -0.097625 0.029739 0.047099 0.283013 0.021279 -0.015248 0Rh 7s 0.105914 -0.053056 -0.066159 -0.341525 -0.025293 0.015415 0Rh 8s 0.049039 -0.030459 -0.048747 -0.274712 -0.001686 0.080603 0Rh 1pz 0.001125 -0.003719 -0.001552 0.006077 0.000191 -0.003079 0Rh 1px 0.004047 -0.002567 -0.004107 -0.012448 -0.004425 0.009352 0Rh 1py -0.004927 -0.003754 -0.001937 -0.003130 0.000052 -0.043648 0Rh 2pz -0.004800 0.015665 0.006565 -0.025333 -0.000809 0.012992 0Rh 2px -0.016845 0.010734 0.017160 0.051727 0.018644 -0.039444 0Rh 2py 0.020774 0.015819 0.008145 0.013087 -0.000219 0.184266 0Rh 3pz 0.017632 -0.052983 -0.022480 0.080342 0.002851 -0.044750 0Rh 3px 0.052833 -0.034799 -0.055338 -0.160752 -0.063692 0.135651 0Rh 3py -0.070649 -0.053922 -0.027237 -0.042269 0.000769 -0.636927 0Rh 4pz -0.027604 0.068359 0.027021 -0.090099 -0.004293 0.063914 0Rh 4px -0.056340 0.041827 0.065651 0.171976 0.089324 -0.193839 0Rh 4py 0.091743 0.073913 0.034343 0.049498 -0.001306 0.918925 0Rh 5pz 0.016539 -0.007245 0.019633 -0.000165 0.003215 -0.043251 0Rh 5px -0.012668 -0.007519 -0.011777 -0.001304 -0.056100 0.133704 0Rh 5py -0.008137 -0.036353 -0.003499 -0.003365 0.002272 -0.645852 0Rh 6pz 0.088252 -0.528660 -0.628203 0.396733 -0.005677 0.004068 0Rh 6px 0.408490 -0.124620 -0.177616 -0.309372 -0.011903 -0.039495 0Rh 6py -0.758816 -0.155348 -0.224438 -0.237306 -0.018236 0.185244 0Rh 1dz2 0.001441 -0.003060 -0.004464 -0.003079 0.007458 0.000400 0Rh 1dxz 0.001133 0.002270 0.002870 -0.009532 0.002434 -0.000272 0Rh 1dyz 0.000459 -0.002092 -0.002608 -0.002892 -0.003839 0.001520 0Rh 1dx2y2 -0.007320 0.001999 0.003264 0.014011 0.006813 0.001156 0Rh 1dxy 0.002344 0.000999 0.002580 0.009171 0.001095 -0.005314 0Rh 2dz2 -0.000124 0.001670 0.001075 -0.000267 -0.001190 0.000029 0Rh 2dxz 0.000230 -0.001151 -0.001537 0.001591 -0.000350 -0.000044 0Rh 2dyz -0.000123 0.002318 -0.000114 0.000873 0.000575 0.000248 0Rh 2dx2y2 0.001889 -0.000225 -0.000849 -0.002310 -0.001121 0.000305 0Rh 2dxy -0.001218 0.000231 -0.001298 -0.002764 -0.000148 -0.000176 0Rh 3dz2 -0.007527 0.008599 0.019929 0.018852 -0.036700 -0.002425 0Rh 3dxz -0.007648 -0.006955 -0.008428 0.046065 -0.012239 0.001849 0Rh 3dyz -0.002028 -0.000394 0.015749 0.011946 0.018997 -0.009965 0Rh 3dx2y2 0.031859 -0.010219 -0.014095 -0.067917 -0.033198 -0.008231 0Rh 3dxy -0.006954 -0.006981 -0.007859 -0.038033 -0.005503 0.031108 0Rh 4dz2 0.020926 -0.012655 -0.052834 -0.054692 0.096899 0.006491 0Rh 4dxz 0.023115 0.013567 0.016318 -0.122265 0.033005 -0.006073 0Rh 4dyz 0.005396 0.019777 -0.050809 -0.028767 -0.049204 0.028681 0Rh 4dx2y2 -0.080357 0.028314 0.034154 0.180820 0.085675 0.024796 0Rh 4dxy 0.013007 0.023283 0.013296 0.094106 0.014402 -0.084365 0Rh 5dz2 -0.063751 -0.063449 0.183184 0.160986 -0.196359 -0.012023 0Rh 5dxz -0.070563 -0.015400 -0.026487 0.315881 -0.069832 0.024087 0Rh 5dyz -0.009568 -0.269054 0.275663 0.048587 0.089145 -0.076590 0Rh 5dx2y2 0.186856 -0.097030 -0.055514 -0.457980 -0.158298 -0.076142 0Rh 5dxy -0.025558 -0.133560 0.037521 -0.210219 -0.028074 0.193778 0Rh 1f0 0.006324 -0.014302 -0.001271 0.002716 -0.001801 -0.007368 0Rh 1f+1 0.005800 -0.003278 -0.022374 0.004081 0.002125 -0.001120 0Rh 1f-1 -0.000152 -0.010939 0.008351 -0.002434 0.001078 -0.008881 0Rh 1f+2 0.004337 0.000624 0.014588 -0.003533 0.002337 -0.006885 0Rh 1f-2 -0.009159 0.023108 -0.016420 -0.004376 -0.000145 -0.003166 0Rh 1f+3 0.013997 -0.003209 0.001469 0.000588 0.000518 -0.002173 0Rh 1f-3 -0.020422 -0.019586 0.000930 -0.007293 0.000486 0.005933 1Rh 1s 0.000577 -0.000150 -0.000273 -0.001850 0.000143 -0.000021 1Rh 2s -0.003750 0.001038 0.001847 0.012240 -0.000971 0.000507 1Rh 3s 0.001303 -0.000302 -0.000576 -0.004059 0.000297 0.000173 1Rh 4s 0.024694 -0.006772 -0.012088 -0.080434 0.006344 -0.003044 1Rh 5s -0.070127 0.019203 0.034231 0.228256 -0.017771 0.009214 1Rh 6s 0.087594 -0.024283 -0.042701 -0.284138 0.020655 -0.015202 1Rh 7s -0.093805 0.046750 0.059716 0.343453 -0.024628 0.014275 1Rh 8s -0.047762 0.030054 0.048855 0.274921 -0.001012 0.079695 1Rh 1pz 0.001699 -0.004135 -0.001810 0.006352 -0.000090 0.003057 1Rh 1px 0.002204 -0.001586 -0.003371 -0.012549 0.004391 -0.009433 1Rh 1py -0.005308 -0.003669 -0.001791 -0.003192 0.000009 0.043592 1Rh 2pz -0.007216 0.017416 0.007649 -0.026489 0.000384 -0.012896 1Rh 2px -0.009091 0.006603 0.014061 0.052153 -0.018505 0.039786 1Rh 2py 0.022378 0.015462 0.007529 0.013346 -0.000037 -0.184027 1Rh 3pz 0.025841 -0.058935 -0.026169 0.084291 -0.001415 0.044394 1Rh 3px 0.026507 -0.020742 -0.044814 -0.162195 0.063251 -0.136795 1Rh 3py -0.076108 -0.052725 -0.025120 -0.043143 0.000116 0.636114 1Rh 4pz -0.039032 0.076659 0.032172 -0.095669 0.002376 -0.063337 1Rh 4px -0.019739 0.022184 0.051028 0.173950 -0.088808 0.195326 1Rh 4py 0.099362 0.072289 0.031312 0.050703 0.000027 -0.917788 1Rh 5pz 0.023615 -0.012427 0.016431 0.003449 -0.002392 0.042812 1Rh 5px -0.035140 0.004808 -0.002873 -0.002382 0.055931 -0.134242 1Rh 5py -0.012845 -0.035472 -0.001408 -0.004094 -0.001385 0.645061 1Rh 6pz 0.088391 -0.530736 -0.630610 0.403145 0.010967 -0.005818 1Rh 6px 0.399942 -0.122657 -0.173563 -0.308672 0.012884 0.034364 1Rh 6py -0.762751 -0.150022 -0.226169 -0.239325 0.017587 -0.183267 1Rh 1dz2 -0.001059 0.002883 0.004329 0.003026 0.007421 0.000457 1Rh 1dxz -0.000662 -0.002501 -0.003082 0.009612 0.002508 -0.000283 1Rh 1dyz -0.000202 0.002027 0.002584 0.002809 -0.003805 0.001578 1Rh 1dx2y2 0.006704 -0.001646 -0.002995 -0.014059 0.006796 0.001148 1Rh 1dxy -0.002605 -0.000825 -0.002493 -0.009237 0.001082 -0.005268 1Rh 2dz2 0.000036 -0.001630 -0.001039 0.000302 -0.001168 0.000002 1Rh 2dxz -0.000320 0.001203 0.001587 -0.001638 -0.000378 -0.000034 1Rh 2dyz 0.000024 -0.002300 0.000113 -0.000827 0.000564 0.000210 1Rh 2dx2y2 -0.001765 0.000152 0.000798 0.002304 -0.001121 0.000301 1Rh 2dxy 0.001289 -0.000277 0.001272 0.002787 -0.000145 -0.000203 1Rh 3dz2 0.005832 -0.007810 -0.019356 -0.018726 -0.036604 -0.002609 1Rh 3dxz 0.005472 0.007985 0.009362 -0.046277 -0.012517 0.001867 1Rh 3dyz 0.001071 0.000670 -0.015613 -0.011710 0.018861 -0.010108 1Rh 3dx2y2 -0.029047 0.008611 0.012847 0.068221 -0.033100 -0.008163 1Rh 3dxy 0.008052 0.006236 0.007504 0.038289 -0.005449 0.030982 1Rh 4dz2 -0.016914 0.010823 0.051524 0.054473 0.096744 0.006870 1Rh 4dxz -0.017919 -0.015968 -0.018513 0.122621 0.033658 -0.006077 1Rh 4dyz -0.003228 -0.020412 0.050455 0.028308 -0.048862 0.028858 1Rh 4dx2y2 0.073743 -0.024526 -0.031194 -0.181640 0.085397 0.024568 1Rh 4dxy -0.015468 -0.021569 -0.012526 -0.094690 0.014272 -0.084150 1Rh 5dz2 0.058228 0.065698 -0.181546 -0.161033 -0.196394 -0.012039 1Rh 5dxz 0.063218 0.018343 0.029466 -0.315632 -0.071135 0.023867 1Rh 5dyz 0.006538 0.269808 -0.275020 -0.048270 0.088484 -0.075089 1Rh 5dx2y2 -0.178261 0.092045 0.051668 0.459524 -0.157483 -0.075185 1Rh 5dxy 0.028122 0.131450 -0.038071 0.210937 -0.027766 0.194128 1Rh 1f0 0.005842 -0.014045 -0.001036 0.002647 0.001834 0.007315 1Rh 1f+1 0.006185 -0.003463 -0.022499 0.004146 -0.002046 0.001162 1Rh 1f-1 -0.000146 -0.010986 0.008320 -0.002351 -0.001033 0.008784 1Rh 1f+2 0.004935 0.000278 0.014349 -0.003534 -0.002406 0.006903 1Rh 1f-2 -0.008997 0.022990 -0.016475 -0.004363 0.000122 0.003339 1Rh 1f+3 0.014763 -0.003593 0.001157 0.000690 -0.000490 0.002128 1Rh 1f-3 -0.020060 -0.019711 0.000743 -0.007248 -0.000468 -0.005969 2C 1s -0.000297 0.000357 -0.000859 0.000340 -0.000122 -0.000251 2C 2s -0.001014 -0.000412 -0.002963 0.000370 -0.000039 -0.000664 2C 3s 0.016801 0.011581 0.059046 0.020767 -0.002271 0.019284 2C 4s -0.126880 -0.122366 -0.307858 -0.106207 0.003008 -0.069006 2C 5s 0.049845 -0.060000 0.621961 -0.010724 -0.103787 0.318352 2C 1pz -0.003867 0.007181 0.013217 -0.002339 -0.007402 0.000675 2C 1px -0.006091 0.008426 -0.002724 -0.001259 -0.005676 -0.008600 2C 1py 0.020951 0.002084 0.001492 0.005684 0.012756 -0.000124 2C 2pz -0.024535 -0.038358 -0.187570 -0.005097 0.038937 -0.018023 2C 2px 0.044371 -0.084550 0.045571 0.019649 0.042506 0.070296 2C 2py -0.187300 -0.027483 -0.053291 -0.060103 -0.103011 -0.005959 2C 3pz -0.011122 0.007704 0.076303 0.001495 -0.037557 0.024597 2C 3px 0.022177 -0.008750 0.084258 -0.063755 -0.018199 0.032703 2C 3py 0.026807 -0.023791 0.048938 -0.005201 0.020507 0.044751 2C 1dz2 -0.011818 0.010910 -0.001131 -0.010010 -0.009060 -0.007836 2C 1dxz -0.015116 -0.002196 0.014622 0.002819 -0.008694 0.012499 2C 1dyz 0.009741 0.004495 0.000672 0.000284 0.003793 -0.000522 2C 1dx2y2 -0.013186 0.000196 0.002042 -0.001710 -0.007156 0.000201 2C 1dxy 0.002042 -0.004369 0.007216 0.005119 0.004012 0.007979 2C 2dz2 0.028155 0.009304 -0.083548 0.009403 0.031457 -0.040498 2C 2dxz -0.028225 -0.064417 0.033280 -0.005582 0.000124 0.064160 2C 2dyz -0.054483 -0.000690 -0.052490 -0.013933 -0.021179 -0.016594 2C 2dx2y2 0.056155 -0.000465 0.023174 0.001852 0.028135 -0.006951 2C 2dxy 0.028526 -0.042990 0.026067 0.015877 0.020683 0.061537 2C 1f0 0.006462 0.018982 -0.025363 -0.008233 0.001379 -0.031519 2C 1f+1 -0.005518 -0.014270 0.013991 0.006227 0.002565 0.020767 2C 1f-1 -0.000915 0.004686 -0.018755 -0.002887 0.001703 -0.012185 2C 1f+2 -0.002127 -0.012150 0.019141 0.006461 0.000050 0.018548 2C 1f-2 0.000692 -0.026534 0.021283 0.000411 0.002090 0.032061 2C 1f+3 -0.011702 -0.011555 0.014483 0.000958 -0.004668 0.018676 2C 1f-3 0.009944 0.002796 -0.007181 0.002346 0.001747 -0.007805 3C 1s 0.000443 -0.000634 0.000269 0.000177 0.000029 0.000388 3C 2s 0.002356 -0.001494 0.000231 0.000911 0.000296 0.000590 3C 3s -0.035189 0.030589 0.003218 -0.023797 -0.015422 -0.008752 3C 4s 0.214248 -0.157540 -0.067552 0.150916 0.098984 0.008730 3C 5s -0.400037 0.279801 -0.252360 -0.118577 0.019470 -0.254624 3C 1pz 0.001159 0.016309 0.014088 -0.005231 -0.015288 -0.001978 3C 1px -0.002368 -0.002407 0.009520 -0.003554 -0.003895 0.014596 3C 1py 0.013948 0.002246 0.005015 0.004100 -0.006538 0.001014 3C 2pz 0.004228 -0.171018 -0.120148 0.067624 0.152797 0.008235 3C 2px 0.016723 0.039978 -0.102339 0.075025 0.046609 -0.139757 3C 2py -0.116161 0.057419 -0.030774 -0.078780 -0.006928 -0.013738 3C 3pz 0.005682 0.019098 0.004909 0.020005 -0.031428 -0.020665 3C 3px -0.032337 0.053659 -0.048926 -0.063576 -0.004924 -0.019706 3C 3py 0.080559 -0.022052 0.043071 0.013846 -0.025022 0.042386 3C 1dz2 0.006698 0.005318 0.010972 -0.006027 -0.006900 0.006909 3C 1dxz -0.000113 0.010098 0.004101 0.004101 -0.005294 -0.010135 3C 1dyz 0.002289 -0.002441 -0.013501 0.005952 0.005706 -0.009647 3C 1dx2y2 0.011078 0.015035 0.006961 0.003877 -0.012458 -0.009501 3C 1dxy 0.007446 -0.005429 0.008849 -0.010241 -0.005486 0.016042 3C 2dz2 -0.029835 -0.062005 -0.036436 0.002036 0.045901 0.026171 3C 2dxz 0.017247 -0.004179 -0.042250 0.018299 0.025293 -0.042014 3C 2dyz -0.016996 0.058035 -0.018953 -0.023864 -0.024609 -0.043869 3C 2dx2y2 -0.030218 0.053444 -0.018599 -0.022282 -0.006574 -0.041894 3C 2dxy -0.019321 -0.020946 0.074497 -0.036348 -0.026992 0.103021 3C 1f0 -0.000344 0.002558 0.009218 -0.008600 -0.006251 0.007963 3C 1f+1 0.000742 0.003043 0.010053 -0.000782 -0.002910 0.009327 3C 1f-1 0.001261 0.015074 -0.008608 0.005755 -0.002385 -0.021960 3C 1f+2 -0.007679 0.018936 -0.022921 0.010269 0.002160 -0.039437 3C 1f-2 -0.002941 -0.007462 0.007208 -0.009722 -0.001473 0.020864 3C 1f+3 0.006328 0.020199 -0.015506 0.009949 -0.000167 -0.038916 3C 1f-3 0.001555 0.029311 -0.022757 0.008562 0.001243 -0.049877 4C 1s 0.007203 0.011875 0.014828 -0.001963 -0.001238 -0.000281 4C 2s 0.009673 0.016017 0.020391 -0.002487 -0.002006 -0.000654 4C 3s 0.025826 0.032778 0.028469 -0.032708 0.004111 0.001103 4C 4s -0.397206 -0.656011 -0.717404 0.210877 0.047155 0.027392 4C 5s -0.214235 -0.263128 -0.679509 0.100459 0.033764 -0.207981 4C 1pz 0.000887 -0.014684 -0.017996 0.000136 0.007906 -0.008023 4C 1px -0.011179 -0.000691 -0.001833 0.022128 0.005620 0.031969 4C 1py -0.005136 -0.008543 -0.012300 0.008654 -0.003575 0.006887 4C 2pz -0.248976 -0.208517 -0.468225 -0.149270 0.018801 -0.086187 4C 2px -0.181247 -0.165084 0.131498 0.460797 0.003001 0.207536 4C 2py -0.097556 -0.208762 -0.250537 0.101666 -0.012498 0.031008 4C 3pz 0.032671 -0.191184 0.164690 -0.046617 -0.037458 0.130920 4C 3px -0.015979 0.292552 -0.270271 0.227379 0.004112 -0.102402 4C 3py -0.118338 0.032423 0.033620 0.003259 -0.109196 0.031691 4C 1dz2 -0.004329 0.045028 0.051566 -0.036869 -0.012872 -0.011196 4C 1dxz 0.004994 0.050472 0.082823 0.019986 -0.010636 0.020116 4C 1dyz 0.010290 -0.007542 -0.005753 0.007671 0.003994 0.003856 4C 1dx2y2 -0.080783 -0.081339 -0.108931 0.019584 0.004958 0.000947 4C 1dxy -0.022240 -0.048432 -0.045711 0.020676 0.004946 0.015609 4C 2dz2 0.181237 0.143686 -0.009537 -0.048437 0.115634 -0.080323 4C 2dxz 0.102020 -0.047904 0.303337 0.123845 0.060545 0.142464 4C 2dyz -0.023675 0.044924 0.055995 0.007555 -0.058125 -0.012193 4C 2dx2y2 -0.055131 -0.178929 -0.201534 0.069334 0.083265 0.005761 4C 2dxy -0.050530 -0.165697 0.064690 0.095077 0.004387 0.123780 4C 1f0 0.055446 -0.007648 0.064983 0.013218 0.035276 0.055666 4C 1f+1 0.103635 0.073324 0.036322 -0.002178 0.028639 -0.050043 4C 1f-1 0.001568 0.033289 0.027629 -0.008905 -0.000371 0.002559 4C 1f+2 -0.037942 -0.023470 -0.106811 -0.012324 0.019578 -0.047563 4C 1f-2 -0.042329 0.031442 -0.008740 -0.025174 -0.018027 -0.040991 4C 1f+3 0.094742 0.017598 -0.068216 -0.027067 0.025321 -0.048677 4C 1f-3 -0.042940 0.092583 0.056347 -0.058609 -0.043215 -0.021120 5C 1s -0.018549 0.004458 0.003888 -0.006221 -0.001098 0.000588 5C 2s -0.025054 0.006061 0.005166 -0.008825 -0.002020 0.001086 5C 3s -0.067964 0.005692 0.007168 0.005856 0.029640 -0.015837 5C 4s 1.062034 -0.175459 -0.194852 0.244964 -0.081654 0.033089 5C 5s 0.642051 -0.238077 0.023672 0.241276 0.013710 0.078152 5C 1pz 0.016283 0.000058 -0.002142 -0.002271 0.004362 0.014287 5C 1px 0.004853 -0.001729 0.004003 0.018907 0.002441 -0.045600 5C 1py -0.025887 0.000919 -0.001141 -0.001411 0.008750 -0.009364 5C 2pz 0.327182 -0.127116 -0.003162 -0.052149 0.055181 0.096604 5C 2px 0.037509 0.146989 -0.079958 0.570200 0.036513 -0.311341 5C 2py -0.430679 0.250926 0.149590 -0.110800 -0.070652 -0.041331 5C 3pz -0.048870 0.065329 -0.246063 -0.047549 0.080328 -0.101786 5C 3px -0.059425 -0.287961 0.251486 0.170613 0.019058 0.116287 5C 3py -0.005477 -0.133792 0.118917 0.028375 0.008182 0.111510 5C 1dz2 -0.059802 0.033931 0.036245 -0.044563 -0.012458 0.012956 5C 1dxz -0.095863 0.041360 0.027782 -0.006466 -0.007234 -0.016243 5C 1dyz -0.051437 0.000513 -0.004209 0.001664 0.005338 -0.011834 5C 1dx2y2 0.135500 -0.010476 -0.005780 0.056827 -0.001354 -0.015657 5C 1dxy 0.048759 -0.016305 -0.002708 -0.004958 -0.002333 0.024211 5C 2dz2 -0.135436 -0.099246 0.000972 -0.083412 0.114259 0.071623 5C 2dxz -0.201167 0.110584 -0.049107 0.034838 0.043688 -0.092562 5C 2dyz -0.025380 0.108506 -0.019651 0.083543 -0.037756 -0.112553 5C 2dx2y2 0.195496 -0.031430 -0.196837 0.204849 0.120526 -0.144873 5C 2dxy 0.107791 -0.210874 0.080024 -0.092406 0.022780 0.203231 5C 1f0 -0.037113 0.009235 -0.047591 0.017036 0.020276 -0.049694 5C 1f+1 -0.098060 -0.062205 -0.037581 -0.020402 0.043884 0.032054 5C 1f-1 -0.000566 -0.011153 0.000700 0.006724 -0.021787 0.028199 5C 1f+2 0.052857 0.000516 0.078546 -0.034693 -0.028991 0.088861 5C 1f-2 0.094030 -0.034050 -0.016978 -0.000610 -0.009311 -0.012616 5C 1f+3 -0.074893 -0.029220 0.055141 -0.083228 -0.006356 0.093527 5C 1f-3 0.071845 -0.106709 -0.055468 0.010014 0.045546 0.075165 6C 1s 0.019184 -0.004741 -0.004119 0.006207 -0.001031 0.000568 6C 2s 0.026124 -0.006538 -0.005562 0.008770 -0.001928 0.001077 6C 3s 0.061737 -0.002435 -0.004144 -0.005655 0.029610 -0.015847 6C 4s -1.066960 0.174526 0.193626 -0.243585 -0.084302 0.032667 6C 5s -0.655988 0.250288 -0.020555 -0.246096 0.012049 0.084531 6C 1pz 0.016708 -0.000199 -0.002366 -0.002432 -0.004434 -0.014209 6C 1px 0.005653 -0.001710 0.004071 0.018586 -0.002256 0.045697 6C 1py -0.026772 0.001281 -0.000831 -0.001020 -0.008661 0.009223 6C 2pz 0.336764 -0.131515 -0.006785 -0.050508 -0.053312 -0.099841 6C 2px 0.043801 0.140716 -0.083344 0.572926 -0.035508 0.314179 6C 2py -0.446859 0.259260 0.155854 -0.114848 0.067542 0.044949 6C 3pz -0.058158 0.072852 -0.242740 -0.046621 -0.079385 0.103106 6C 3px -0.063386 -0.286348 0.253177 0.175487 -0.018828 -0.117751 6C 3py 0.009516 -0.145184 0.113736 0.026330 -0.009171 -0.112675 6C 1dz2 0.062193 -0.035114 -0.037072 0.044631 -0.012094 0.012963 6C 1dxz 0.098808 -0.042653 -0.028843 0.006332 -0.006979 -0.016531 6C 1dyz 0.052469 -0.000821 0.003749 -0.001856 0.005430 -0.011977 6C 1dx2y2 -0.140023 0.012706 0.007300 -0.056686 -0.001767 -0.015630 6C 1dxy -0.050153 0.016720 0.003296 0.005299 -0.002492 0.024692 6C 2dz2 0.136003 0.099380 -0.000958 0.082976 0.114329 0.072088 6C 2dxz 0.204683 -0.111592 0.048468 -0.033159 0.044505 -0.093979 6C 2dyz 0.023042 -0.106811 0.021385 -0.083989 -0.037960 -0.112597 6C 2dx2y2 -0.199491 0.033893 0.198890 -0.206782 0.118615 -0.144182 6C 2dxy -0.110574 0.211985 -0.078871 0.089658 0.021836 0.205546 6C 1f0 -0.037808 0.009483 -0.047304 0.016835 -0.020307 0.050152 6C 1f+1 -0.099328 -0.061506 -0.037401 -0.020162 -0.043837 -0.032054 6C 1f-1 -0.000624 -0.011190 0.000709 0.006970 0.021755 -0.028072 6C 1f+2 0.052757 0.000531 0.078656 -0.034485 0.028823 -0.089087 6C 1f-2 0.095337 -0.034347 -0.017251 -0.000811 0.009572 0.012090 6C 1f+3 -0.076085 -0.028863 0.055514 -0.082877 0.005855 -0.093606 6C 1f-3 0.072951 -0.107535 -0.056053 0.011038 -0.045202 -0.075287 7C 1s -0.006703 -0.012180 -0.015066 0.002078 -0.001196 -0.000274 7C 2s -0.008834 -0.016530 -0.020778 0.002705 -0.001962 -0.000631 7C 3s -0.034339 -0.028708 -0.026118 0.031372 0.005751 0.000962 7C 4s 0.411861 0.653183 0.718059 -0.211607 0.037870 0.027665 7C 5s 0.201437 0.266086 0.689327 -0.100444 0.030578 -0.210917 7C 1pz 0.000320 -0.014722 -0.018016 0.000553 -0.007608 0.008028 7C 1px -0.010808 -0.000798 -0.002010 0.022030 -0.005625 -0.031703 7C 1py -0.005264 -0.008687 -0.012464 0.008880 0.003716 -0.006732 7C 2pz -0.222443 -0.220058 -0.477360 -0.148394 -0.019753 0.086992 7C 2px -0.178802 -0.163876 0.131421 0.462049 -0.001245 -0.210741 7C 2py -0.082437 -0.216448 -0.257680 0.102478 0.012431 -0.031584 7C 3pz 0.025570 -0.189240 0.170916 -0.053600 0.036995 -0.133633 7C 3px -0.019050 0.293647 -0.271021 0.229333 -0.002955 0.103177 7C 3py -0.123531 0.033442 0.036965 -0.000331 0.109076 -0.032517 7C 1dz2 0.005453 -0.046039 -0.052481 0.037383 -0.012549 -0.011241 7C 1dxz -0.003083 -0.051848 -0.083816 -0.019480 -0.010279 0.020301 7C 1dyz -0.010063 0.007798 0.005738 -0.007609 0.003934 0.003981 7C 1dx2y2 0.077586 0.083360 0.110569 -0.020390 0.004334 0.000850 7C 1dxy 0.020898 0.048901 0.046578 -0.021136 0.004735 0.015494 7C 2dz2 -0.174565 -0.145595 0.007779 0.047198 0.115806 -0.081253 7C 2dxz -0.096330 0.044640 -0.305768 -0.123079 0.060077 0.143806 7C 2dyz 0.031430 -0.048193 -0.058254 -0.007855 -0.058214 -0.012940 7C 2dx2y2 0.049879 0.181688 0.204355 -0.069134 0.082295 0.006274 7C 2dxy 0.051915 0.164330 -0.065541 -0.094250 0.003551 0.125265 7C 1f0 0.055194 -0.006899 0.065032 0.012898 -0.035446 -0.055533 7C 1f+1 0.102108 0.073388 0.036854 -0.001617 -0.029018 0.049814 7C 1f-1 0.002328 0.032878 0.027651 -0.009019 0.000007 -0.002482 7C 1f+2 -0.037432 -0.024362 -0.107293 -0.011979 -0.019108 0.047617 7C 1f-2 -0.041970 0.031695 -0.008729 -0.024832 0.017850 0.041038 7C 1f+3 0.094621 0.017312 -0.068924 -0.026666 -0.025502 0.049138 7C 1f-3 -0.043337 0.093427 0.057178 -0.058833 0.042690 0.021588 8C 1s -0.000418 0.000631 -0.000294 -0.000177 0.000027 0.000397 8C 2s -0.002405 0.001544 -0.000230 -0.000924 0.000285 0.000622 8C 3s 0.038384 -0.032827 -0.004659 0.024627 -0.015033 -0.009947 8C 4s -0.231283 0.168560 0.075768 -0.156301 0.096362 0.014356 8C 5s 0.427357 -0.304242 0.245023 0.118584 0.018830 -0.263297 8C 1pz 0.000976 0.016424 0.014193 -0.005396 0.015165 0.002005 8C 1px -0.002522 -0.002319 0.009589 -0.003538 0.003843 -0.014568 8C 1py 0.014396 0.002040 0.004803 0.004188 0.006576 -0.001096 8C 2pz 0.008943 -0.173877 -0.122236 0.070739 -0.150832 -0.009302 8C 2px 0.019761 0.037879 -0.103517 0.075493 -0.045660 0.138690 8C 2py -0.124756 0.062738 -0.026497 -0.082268 0.005600 0.016055 8C 3pz 0.003130 0.021189 0.005363 0.020310 0.031627 0.020647 8C 3px -0.035782 0.055954 -0.047990 -0.064669 0.004950 0.020300 8C 3py 0.085276 -0.026152 0.041510 0.013267 0.024876 -0.043416 8C 1dz2 -0.006639 -0.005344 -0.011027 0.006055 -0.006822 0.006889 8C 1dxz -0.000073 -0.010137 -0.004138 -0.004010 -0.005408 -0.010097 8C 1dyz -0.002067 0.002216 0.013368 -0.005800 0.005629 -0.009746 8C 1dx2y2 -0.010890 -0.015155 -0.007016 -0.003683 -0.012327 -0.009534 8C 1dxy -0.007255 0.005328 -0.008994 0.010218 -0.005478 0.016058 8C 2dz2 0.030493 0.061745 0.036181 -0.002346 0.045667 0.026135 8C 2dxz -0.018502 0.004201 0.042101 -0.018301 0.024571 -0.041784 8C 2dyz 0.019540 -0.060337 0.017353 0.025261 -0.024456 -0.044898 8C 2dx2y2 0.032332 -0.054439 0.018227 0.023620 -0.005787 -0.042469 8C 2dxy 0.020905 0.019693 -0.075506 0.036565 -0.026614 0.102846 8C 1f0 -0.000747 0.002779 0.009418 -0.008732 0.006144 -0.008080 8C 1f+1 0.000681 0.002886 0.010003 -0.000681 0.002767 -0.009379 8C 1f-1 0.001320 0.015177 -0.008668 0.005590 0.002411 0.022088 8C 1f+2 -0.008300 0.019416 -0.022629 0.009985 -0.002141 0.039721 8C 1f-2 -0.003526 -0.007120 0.007536 -0.009610 0.001437 -0.020645 8C 1f+3 0.006788 0.019839 -0.015596 0.009765 0.000225 0.038693 8C 1f-3 0.001483 0.029578 -0.022679 0.008118 -0.001205 0.050116 9C 1s 0.000328 -0.000391 0.000862 -0.000344 -0.000121 -0.000264 9C 2s 0.000954 0.000414 0.003010 -0.000381 -0.000033 -0.000685 9C 3s -0.011025 -0.013856 -0.061174 -0.020834 -0.002652 0.019664 9C 4s 0.093496 0.136152 0.319025 0.106980 0.005377 -0.069740 9C 5s -0.029671 0.056981 -0.638069 0.017388 -0.102636 0.325747 9C 1pz -0.004690 0.007564 0.013443 -0.002413 0.007455 -0.000611 9C 1px -0.006204 0.008412 -0.002716 -0.001208 0.005631 0.008689 9C 1py 0.020282 0.002344 0.001709 0.005709 -0.012627 0.000073 9C 2pz -0.005410 -0.046621 -0.193203 -0.004389 -0.041037 0.017192 9C 2px 0.046876 -0.084718 0.044919 0.019220 -0.042004 -0.071487 9C 2py -0.172533 -0.032039 -0.058151 -0.060182 0.100505 0.006497 9C 3pz -0.014552 0.007580 0.077824 0.000306 0.037624 -0.025382 9C 3px 0.021543 -0.008129 0.085360 -0.064628 0.017506 -0.031744 9C 3py 0.025141 -0.022443 0.052180 -0.006646 -0.020140 -0.045947 9C 1dz2 0.011282 -0.010678 0.001304 0.009940 -0.008876 -0.007886 9C 1dxz 0.014724 0.002266 -0.014525 -0.002723 -0.008577 0.012506 9C 1dyz -0.010206 -0.004293 -0.000505 -0.000231 0.003720 -0.000497 9C 1dx2y2 0.013565 -0.000331 -0.002101 0.001807 -0.007360 0.000168 9C 1dxy -0.002099 0.004424 -0.007285 -0.005061 0.003979 0.008013 9C 2dz2 -0.033179 -0.007486 0.084845 -0.010311 0.032155 -0.040368 9C 2dxz 0.024967 0.064956 -0.032749 0.006212 0.000856 0.064074 9C 2dyz 0.048710 0.002929 0.054795 0.013885 -0.020926 -0.016676 9C 2dx2y2 -0.052419 -0.001045 -0.024275 -0.001347 0.027007 -0.007342 9C 2dxy -0.029544 0.043630 -0.025974 -0.015222 0.020502 0.061762 9C 1f0 0.006546 0.018794 -0.025235 -0.007964 -0.001326 0.031421 9C 1f+1 -0.005272 -0.014153 0.013805 0.005936 -0.002435 -0.020501 9C 1f-1 0.000350 0.004204 -0.019314 -0.002718 -0.001787 0.012353 9C 1f+2 -0.002466 -0.011707 0.019379 0.006529 -0.000206 -0.018588 9C 1f-2 0.001304 -0.026741 0.021224 0.000159 -0.002079 -0.032200 9C 1f+3 -0.011437 -0.011631 0.014636 0.000772 0.004558 -0.018973 9C 1f-3 0.009567 0.002955 -0.007291 0.002523 -0.001489 0.007734 10H 1s -0.012991 -0.015373 0.019164 0.000602 -0.004547 0.019472 10H 2s -0.044192 0.021971 -0.038565 0.015647 -0.019886 0.009726 10H 3s -0.013962 -0.017742 -0.097750 0.016276 0.017521 -0.054547 10H 1pz -0.008735 0.010036 -0.005042 0.005059 -0.004900 -0.000263 10H 1px 0.011763 -0.001346 -0.003364 -0.003911 0.006016 -0.010402 10H 1py -0.004595 0.005358 -0.004648 0.000585 -0.003526 -0.004646 11H 1s 0.010396 -0.007595 0.005064 0.006527 0.010250 0.006379 11H 2s 0.072394 0.037760 -0.036654 0.045644 0.033755 -0.003708 11H 3s -0.015929 0.026512 -0.050224 -0.024512 -0.017798 -0.051170 11H 1pz 0.027890 0.003775 -0.006261 0.014250 0.014295 0.003742 11H 1px 0.015138 0.003597 -0.003524 0.008327 0.009264 -0.001094 11H 1py 0.004327 -0.003744 0.003094 -0.003514 0.001599 0.000199 12H 1s -0.013291 -0.001247 0.007193 -0.006245 -0.009542 -0.002933 12H 2s -0.042866 0.040663 -0.013361 -0.003800 -0.029834 -0.031809 12H 3s 0.014258 0.009571 -0.076075 -0.011474 0.026214 -0.018830 12H 1pz -0.007193 0.001403 0.005828 0.000143 -0.003298 0.004500 12H 1px -0.003641 0.004613 0.002917 -0.000141 -0.004985 -0.002170 12H 1py -0.021957 0.009902 0.003707 -0.003413 -0.014937 -0.004734 13H 1s -0.002406 0.006622 -0.023827 0.004376 0.006673 -0.021576 13H 2s 0.006884 -0.054726 -0.005398 0.009217 0.029368 0.008394 13H 3s 0.074993 -0.029362 0.028612 0.042901 -0.011897 0.012950 13H 1pz -0.004130 -0.012867 -0.004776 0.004758 0.009079 -0.002386 13H 1px 0.001919 0.002786 0.007193 -0.001335 -0.006001 0.007283 13H 1py 0.004212 0.011436 -0.002483 -0.000549 -0.004068 -0.008106 14H 1s -0.008965 -0.008873 -0.014355 0.004138 0.009923 -0.002392 14H 2s -0.021988 -0.043280 -0.017480 0.022638 0.035557 -0.002821 14H 3s 0.054343 -0.030694 0.038945 -0.002291 -0.020383 0.044169 14H 1pz -0.006682 -0.011440 -0.012638 0.003060 0.011453 -0.002490 14H 1px -0.011457 -0.009762 -0.009681 0.004755 0.012687 -0.003394 14H 1py 0.003034 0.000270 0.005812 0.001349 -0.002505 0.006364 15H 1s 0.002618 0.012649 0.003228 -0.001775 -0.011187 -0.003493 15H 2s 0.012046 0.023696 0.100625 -0.008977 -0.043076 0.037433 15H 3s 0.007855 -0.044284 0.008477 -0.004404 0.026111 0.022774 15H 1pz 0.000273 0.001871 -0.005710 -0.000383 0.001366 -0.004290 15H 1px 0.000977 0.007482 0.008552 -0.001650 -0.007533 -0.000619 15H 1py -0.006711 -0.016521 -0.031718 0.004399 0.019956 -0.006305 16H 1s 0.010212 -0.024221 -0.043896 -0.114632 0.008384 0.023631 16H 2s 0.056489 0.028563 0.010402 -0.341382 0.020030 0.004993 16H 3s -0.030936 0.006204 0.001803 0.100859 0.000110 -0.026448 16H 1pz 0.001675 -0.006999 -0.024546 -0.171678 0.019833 0.022105 16H 1px -0.032357 -0.050265 -0.068749 0.002309 0.005939 0.030815 16H 1py 0.075157 -0.030721 -0.047059 -0.130428 -0.011819 0.001605 17H 1s 0.006204 -0.018520 -0.027878 -0.120261 0.014299 0.020329 17H 2s 0.118140 -0.074427 -0.115723 -0.279550 0.031837 -0.003908 17H 3s -0.040241 0.005226 0.024483 0.094894 0.000491 -0.033954 17H 1pz 0.039486 0.017366 0.032809 0.117482 -0.024117 -0.035471 17H 1px -0.067433 0.040547 0.054476 0.059125 -0.015505 0.018504 17H 1py 0.050551 0.000423 -0.008824 -0.177772 -0.004782 0.010011 18H 1s -0.001570 0.016102 0.026807 0.121166 0.015133 0.020885 18H 2s -0.105110 0.068538 0.111474 0.282248 0.033018 -0.001348 18H 3s 0.037777 -0.004577 -0.023763 -0.094866 -0.000125 -0.033081 18H 1pz 0.042795 0.013855 0.030740 0.122927 0.024825 0.035717 18H 1px -0.064084 0.039633 0.054264 0.060905 0.015390 -0.017124 18H 1py 0.044739 0.004309 -0.005319 -0.175440 0.004256 -0.009434 19H 1s -0.006076 0.021708 0.042406 0.114885 0.007598 0.022829 19H 2s -0.046784 -0.035810 -0.016421 0.342470 0.019516 0.004520 19H 3s 0.029321 -0.005059 -0.001141 -0.101520 0.000420 -0.027640 19H 1pz -0.005973 -0.002408 -0.020821 -0.169370 -0.019447 -0.021703 19H 1px -0.034862 -0.049086 -0.068015 0.003702 -0.005364 -0.031640 19H 1py 0.069200 -0.028860 -0.046552 -0.134620 0.011853 -0.002605 20H 1s -0.002579 -0.012873 -0.003214 0.001890 -0.011108 -0.003607 20H 2s -0.011789 -0.022595 -0.100739 0.008885 -0.042284 0.038182 20H 3s -0.009874 0.046271 -0.008467 0.004421 0.026042 0.023619 20H 1pz 0.000236 0.001997 -0.005727 -0.000435 -0.001349 0.004440 20H 1px 0.000872 0.007521 0.008742 -0.001697 0.007545 0.000563 20H 1py -0.006372 -0.016489 -0.031790 0.004465 -0.019655 0.006311 21H 1s 0.009192 0.008511 0.014424 -0.004293 0.009862 -0.002734 21H 2s 0.022318 0.044325 0.016813 -0.023279 0.035188 -0.002245 21H 3s -0.055888 0.032695 -0.038525 0.002430 -0.020379 0.045493 21H 1pz -0.007007 -0.011552 -0.012504 0.003251 -0.011432 0.002506 21H 1px -0.011639 -0.009794 -0.009459 0.004898 -0.012560 0.003382 21H 1py 0.003209 0.000329 0.005745 0.001465 0.002560 -0.006260 22H 1s 0.002515 -0.007157 0.023693 -0.004291 0.006475 -0.021940 22H 2s -0.007213 0.054924 0.004717 -0.009938 0.028723 0.008296 22H 3s -0.078091 0.032097 -0.027693 -0.043426 -0.011758 0.014645 22H 1pz -0.004211 -0.012627 -0.004460 0.004869 -0.008799 0.002424 22H 1px 0.001943 0.002711 0.007146 -0.001401 0.005921 -0.007480 22H 1py 0.004293 0.011355 -0.002649 -0.000679 0.004000 0.008044 23H 1s 0.013168 0.001422 -0.007528 0.006175 -0.009508 -0.002684 23H 2s 0.042471 -0.042722 0.014071 0.003496 -0.029478 -0.032608 23H 3s -0.016360 -0.009931 0.076751 0.011287 0.026109 -0.019837 23H 1pz -0.007639 0.001621 0.005901 0.000012 0.003416 -0.004419 23H 1px -0.003612 0.004713 0.002862 -0.000055 0.004885 0.002079 23H 1py -0.022043 0.010554 0.003636 -0.003332 0.014863 0.004924 24H 1s -0.010253 0.007658 -0.005207 -0.006645 0.010091 0.006634 24H 2s -0.069944 -0.038405 0.037018 -0.045959 0.032777 -0.003401 24H 3s 0.013687 -0.026092 0.052377 0.024209 -0.017282 -0.052928 24H 1pz 0.026926 0.003978 -0.006087 0.014183 -0.013962 -0.003863 24H 1px 0.014728 0.003859 -0.003495 0.008571 -0.009145 0.000885 24H 1py 0.004369 -0.003567 0.003151 -0.003460 -0.001679 -0.000179 25H 1s 0.012347 0.015651 -0.019328 -0.000518 -0.004199 0.019665 25H 2s 0.041826 -0.021622 0.039571 -0.016112 -0.018429 0.009154 25H 3s 0.012328 0.018247 0.099747 -0.016601 0.016414 -0.054650 25H 1pz -0.008568 0.010027 -0.005136 0.005324 0.004594 0.000209 25H 1px 0.011063 -0.001223 -0.003277 -0.003918 -0.005564 0.010310 25H 1py -0.004272 0.005420 -0.004693 0.000630 0.003267 0.004864 26O 1s 0.001197 -0.000547 0.003014 -0.001580 -0.000232 0.000147 26O 2s 0.005255 0.000896 0.011339 -0.006387 -0.000883 0.000093 26O 3s -0.095828 -0.072441 -0.170884 0.104634 0.012777 0.010299 26O 4s 0.320000 0.338709 0.521366 -0.312823 -0.031686 -0.053784 26O 5s 0.118176 0.189188 -0.314473 -0.352711 0.025930 -0.198497 26O 1pz -0.008387 0.026560 0.012187 0.001404 0.006717 0.002458 26O 1px 0.006748 0.012558 0.028364 -0.024416 0.000087 -0.004772 26O 1py 0.032382 0.013449 0.010610 -0.004760 -0.010546 -0.007143 26O 2pz 0.025466 -0.123211 -0.016754 0.006802 -0.013047 0.039560 26O 2px -0.125377 -0.238839 -0.192679 0.187203 0.011836 0.072884 26O 2py -0.172723 -0.133981 -0.053862 0.056953 0.018082 0.073531 26O 3pz -0.165320 0.218804 -0.424547 0.010702 -0.039931 -0.108321 26O 3px -0.237563 -0.245075 -0.073061 0.212357 -0.033320 0.203051 26O 3py 0.064441 -0.019626 -0.348064 0.202151 0.100849 -0.081584 26O 1dz2 0.303107 -0.137380 0.015456 0.112488 0.287770 0.018879 26O 1dxz 0.061146 0.200726 -0.272010 -0.005856 0.003021 -0.261394 26O 1dyz -0.167062 -0.020785 0.177772 -0.076703 -0.214426 0.102192 26O 1dx2y2 0.114030 -0.118172 0.160052 0.043338 0.049398 0.149396 26O 1dxy 0.148648 0.020614 -0.012197 0.067408 0.200678 -0.016555 26O 2dz2 -0.252332 0.034964 -0.065657 -0.048019 -0.203185 0.000684 26O 2dxz -0.042712 -0.086099 0.186686 -0.025520 -0.008061 0.141136 26O 2dyz 0.122545 0.030648 -0.131511 0.033874 0.152463 -0.088638 26O 2dx2y2 -0.075289 0.148188 -0.033884 -0.066319 -0.047851 -0.112949 26O 2dxy -0.010936 0.067007 0.058130 -0.104030 -0.142667 -0.019472 26O 1f0 0.007217 0.029161 0.032219 -0.022736 -0.018911 -0.039272 26O 1f+1 0.089279 0.029507 0.024538 -0.008112 0.034426 -0.010359 26O 1f-1 0.054509 0.025096 0.015764 -0.004037 0.008137 -0.034946 26O 1f+2 0.029098 -0.046513 -0.047360 0.024857 0.007328 0.022779 26O 1f-2 -0.036813 -0.008022 -0.012415 0.010511 -0.034869 0.017742 26O 1f+3 -0.079172 0.023423 0.007997 0.007170 -0.003386 -0.008685 26O 1f-3 0.017354 0.063081 0.053468 -0.059290 -0.043273 -0.028284 27O 1s -0.002014 0.002320 -0.001062 -0.001929 -0.000219 -0.000016 27O 2s -0.009111 0.007333 -0.002347 -0.008193 -0.000834 0.000430 27O 3s 0.172674 -0.083706 0.001272 0.142393 0.011691 -0.022368 27O 4s -0.603282 0.208164 0.075733 -0.458126 -0.033097 0.109339 27O 5s 0.132595 -0.293571 0.145621 -0.383827 -0.022257 0.259464 27O 1pz -0.004536 0.008544 0.024436 0.005776 0.009594 -0.003616 27O 1px -0.027686 0.014115 0.003021 -0.026468 -0.001074 0.005210 27O 1py 0.024606 0.012794 0.001314 0.006424 0.005514 -0.003701 27O 2pz -0.011454 -0.023117 -0.100931 -0.023863 -0.012691 -0.020439 27O 2px 0.302021 -0.024035 -0.114383 0.257347 0.015527 -0.119407 27O 2py -0.116602 -0.080594 0.026693 -0.056554 -0.008537 0.088609 27O 3pz 0.169035 -0.123204 0.316533 -0.037138 -0.096026 0.100462 27O 3px 0.247058 0.026670 -0.046926 0.352815 -0.008184 -0.277875 27O 3py -0.159478 0.414994 -0.119202 -0.108748 -0.052450 -0.156448 27O 1dz2 -0.087670 -0.292121 -0.221635 0.088859 0.339875 0.108397 27O 1dxz 0.047014 -0.178273 0.139913 -0.044449 -0.085347 0.258623 27O 1dyz 0.145449 -0.139499 0.250696 -0.016842 -0.110491 0.219928 27O 1dx2y2 -0.104105 -0.091657 -0.145241 0.054999 0.155478 -0.075656 27O 1dxy 0.043282 0.211926 -0.069437 0.013286 -0.125551 -0.231377 27O 2dz2 0.134178 0.198257 0.130039 -0.003878 -0.239343 -0.105831 27O 2dxz -0.014542 0.129643 -0.054649 0.020977 0.049599 -0.145139 27O 2dyz -0.113155 0.090783 -0.180184 0.017839 0.082891 -0.153681 27O 2dx2y2 -0.045104 0.088503 0.140210 -0.112347 -0.119601 0.079910 27O 2dxy 0.032757 -0.107064 0.030907 0.063200 0.085900 0.094451 27O 1f0 0.003283 0.037171 0.025000 -0.014148 -0.011799 -0.005272 27O 1f+1 -0.074179 -0.036456 -0.031969 -0.032476 0.045765 0.034558 27O 1f-1 0.020849 0.006315 0.003381 0.019494 0.023488 -0.035917 27O 1f+2 0.026144 -0.025699 -0.027354 0.007519 -0.010645 -0.046543 27O 1f-2 0.036549 0.026168 0.024666 0.009856 -0.010990 -0.005741 27O 1f+3 -0.026224 0.044007 0.068780 -0.033331 -0.037670 0.025788 27O 1f-3 0.072687 -0.011623 -0.016240 0.080996 0.020723 -0.064029 28O 1s 0.000782 0.003265 0.001134 0.000869 -0.000228 0.000067 28O 2s 0.003376 0.011675 0.006648 0.003384 -0.000898 0.000477 28O 3s -0.063364 -0.166220 -0.152363 -0.051225 0.013941 -0.016718 28O 4s 0.235960 0.494164 0.577803 0.133192 -0.040360 0.074277 28O 5s -0.079181 -0.272804 0.178397 0.379617 0.044552 0.167612 28O 1pz -0.001830 0.018112 0.031733 -0.005894 0.003322 -0.003271 28O 1px -0.010528 -0.017183 -0.010491 -0.018760 0.004891 -0.004748 28O 1py 0.022983 -0.000977 0.009884 0.006035 -0.008815 0.004569 28O 2pz -0.034046 -0.082624 -0.287528 -0.015341 0.002623 -0.064793 28O 2px 0.111704 0.132249 0.238389 0.103148 -0.017096 0.051123 28O 2py -0.095526 0.023532 -0.061717 -0.031636 0.010283 -0.047137 28O 3pz -0.211935 -0.418824 -0.073028 -0.140475 -0.032954 -0.056915 28O 3px -0.057680 -0.077786 0.339795 0.144554 -0.026644 0.192056 28O 3py 0.121633 -0.353326 0.025863 0.058575 0.105338 0.136745 28O 1dz2 0.221128 -0.158961 0.067291 0.069095 0.158850 0.157244 28O 1dxz 0.193749 0.008241 -0.106239 0.048813 0.202373 -0.017187 28O 1dyz -0.052500 0.171449 0.002740 -0.016168 -0.045831 -0.076877 28O 1dx2y2 0.335560 0.137284 -0.146022 0.029978 0.265485 -0.148920 28O 1dxy -0.077627 0.297414 -0.121146 -0.023601 -0.177756 -0.203753 28O 2dz2 -0.179213 0.110033 0.003869 -0.039690 -0.121484 -0.076519 28O 2dxz -0.171739 -0.070906 -0.070668 -0.061807 -0.135072 -0.026166 28O 2dyz 0.054266 -0.122673 0.026838 0.040445 0.037319 0.071009 28O 2dx2y2 -0.196051 -0.046918 0.159448 -0.009823 -0.193464 0.101298 28O 2dxy 0.022824 -0.203358 0.047679 -0.006184 0.121134 0.123527 28O 1f0 0.088485 -0.013426 0.003463 0.032812 0.028603 0.003558 28O 1f+1 -0.003142 0.057154 0.087824 0.011702 -0.009055 0.050833 28O 1f-1 -0.015749 0.001575 0.013342 -0.019605 -0.014798 0.014836 28O 1f+2 -0.014738 -0.024575 -0.069226 -0.014956 -0.013813 -0.021560 28O 1f-2 0.036343 0.017438 0.035759 0.025343 -0.010473 0.032874 28O 1f+3 0.058160 -0.005979 -0.015781 0.005888 0.054171 0.001552 28O 1f-3 0.002778 0.036567 0.039023 0.020904 -0.023492 0.000468 29O 1s 0.000241 0.000589 0.000916 0.002098 -0.000441 -0.001027 29O 2s 0.000595 0.002077 0.003301 0.008230 -0.001652 -0.003228 29O 3s 0.002049 -0.030460 -0.050387 -0.147131 0.025681 0.040253 29O 4s 0.036657 0.061934 0.098210 0.217356 -0.068335 -0.091524 29O 5s -0.296577 0.030934 0.092341 0.795947 0.015214 0.059194 29O 1pz 0.000020 0.004634 0.006246 0.010858 -0.000349 -0.004001 29O 1px -0.003043 -0.003484 -0.006665 -0.019452 0.004247 0.009119 29O 1py 0.001126 0.007532 0.013059 0.046007 -0.005560 -0.003101 29O 2pz 0.008242 -0.016244 -0.028351 -0.103338 -0.000237 0.019866 29O 2px -0.024309 0.030202 0.055988 0.214450 -0.016986 -0.039199 29O 2py 0.006044 -0.040465 -0.071790 -0.257435 0.030359 0.028918 29O 3pz -0.095666 0.117114 0.140209 0.066103 0.007956 -0.002387 29O 3px 0.117293 0.017470 -0.005050 -0.380668 -0.027106 0.023010 29O 3py 0.123140 0.017339 0.023053 -0.029867 0.012223 -0.057018 29O 1dz2 0.152672 -0.073149 -0.084757 0.073336 -0.029830 -0.045216 29O 1dxz -0.058111 0.219085 0.302127 0.201722 0.005122 -0.061002 29O 1dyz -0.244460 0.119646 0.135794 -0.033042 0.021233 0.078152 29O 1dx2y2 0.135102 -0.003225 -0.050617 -0.722533 -0.085627 0.068604 29O 1dxy 0.319092 0.104951 0.150185 -0.025646 -0.036339 -0.163106 29O 2dz2 -0.141082 0.057921 0.075201 0.042141 0.020445 0.030921 29O 2dxz 0.015493 -0.147817 -0.202694 -0.076677 -0.007189 0.044796 29O 2dyz 0.179757 -0.092354 -0.102956 0.041682 -0.014692 -0.062325 29O 2dx2y2 -0.094409 -0.000305 0.030936 0.502874 0.063064 -0.049609 29O 2dxy -0.208248 -0.087750 -0.128797 -0.057272 0.036120 0.126661 29O 1f0 0.047745 -0.031579 -0.052432 -0.160503 0.002283 0.015601 29O 1f+1 -0.033842 0.031116 0.046254 0.076758 0.000466 -0.008233 29O 1f-1 0.037006 -0.012596 -0.026464 -0.099902 0.006076 0.002630 29O 1f+2 0.013747 -0.015656 -0.011623 0.110731 -0.000936 -0.021408 29O 1f-2 0.018757 0.007048 0.012537 -0.059702 0.008394 0.000451 29O 1f+3 0.010559 0.026453 0.037831 0.042094 -0.006531 -0.015898 29O 1f-3 -0.009534 0.003535 0.006530 0.093378 0.001212 -0.004249 30O 1s -0.002784 -0.001028 0.001792 0.000348 -0.000135 0.000294 30O 2s -0.012201 -0.001760 0.005969 0.001125 -0.000496 0.000481 30O 3s 0.220720 -0.016981 -0.074768 -0.014083 0.006958 0.009800 30O 4s -0.739280 0.142420 0.199277 0.013218 -0.019666 -0.061015 30O 5s -0.031945 0.288176 -0.121054 0.434806 -0.019419 -0.299023 30O 1pz -0.014276 0.021156 0.020937 -0.009589 0.007399 0.000635 30O 1px 0.021528 0.005809 -0.007934 -0.014550 0.002501 0.008914 30O 1py 0.037774 -0.005732 0.007808 0.003452 0.006676 0.005633 30O 2pz 0.161314 -0.165200 -0.074283 0.015667 -0.004683 0.071344 30O 2px -0.268819 0.069354 0.040108 0.062254 -0.006350 -0.059265 30O 2py -0.248859 0.110667 -0.049886 0.015437 -0.011289 -0.117546 30O 3pz 0.320524 0.171027 -0.013544 -0.025253 -0.092664 0.061585 30O 3px -0.138895 0.320088 -0.127800 0.155262 -0.019049 -0.312521 30O 3py -0.293991 -0.081530 0.386209 -0.044007 -0.065529 0.090111 30O 1dz2 -0.003401 0.036117 -0.299197 0.083018 0.135155 -0.274306 30O 1dxz -0.043767 -0.181932 -0.206168 0.027750 0.297383 -0.044209 30O 1dyz 0.125431 0.147786 0.053041 0.018839 -0.124063 -0.068194 30O 1dx2y2 -0.107292 -0.338280 0.033886 -0.063234 0.169114 0.322625 30O 1dxy -0.010616 0.074524 -0.221107 0.033545 0.174001 -0.181001 30O 2dz2 0.040086 -0.003851 0.223245 -0.067214 -0.105709 0.180684 30O 2dxz 0.127225 0.073149 0.112807 -0.010184 -0.205963 0.056069 30O 2dyz -0.006831 -0.155175 -0.043189 -0.035384 0.095217 0.097741 30O 2dx2y2 0.051812 0.222696 0.004835 0.018251 -0.121045 -0.185826 30O 2dxy -0.121535 -0.010103 0.148306 -0.012963 -0.120236 0.085682 30O 1f0 -0.055174 -0.024701 -0.035909 0.020062 0.037041 0.000354 30O 1f+1 -0.017531 0.019494 0.027744 -0.015561 0.003451 -0.010361 30O 1f-1 0.021012 0.044827 0.051646 -0.015312 -0.007210 -0.006803 30O 1f+2 0.006981 0.006197 0.026256 0.015069 -0.040196 0.002249 30O 1f-2 0.086266 -0.048411 -0.022113 0.000735 0.021242 0.076864 30O 1f+3 -0.090547 -0.009995 -0.019781 0.013819 0.022928 -0.046804 30O 1f-3 0.043125 -0.046140 -0.033451 0.000340 0.034683 0.001778 31O 1s 0.002894 0.000981 -0.001826 -0.000362 -0.000123 0.000295 31O 2s 0.012616 0.001585 -0.006104 -0.001170 -0.000448 0.000464 31O 3s -0.226765 0.019453 0.076710 0.014470 0.006148 0.010419 31O 4s 0.755566 -0.148721 -0.204159 -0.013217 -0.016742 -0.063826 31O 5s 0.027583 -0.284548 0.123501 -0.430418 -0.019404 -0.301557 31O 1pz -0.014942 0.021392 0.021178 -0.009483 -0.007526 -0.000558 31O 1px 0.022660 0.005307 -0.008358 -0.014697 -0.002506 -0.008839 31O 1py 0.038345 -0.005962 0.007616 0.003314 -0.006641 -0.005762 31O 2pz 0.165137 -0.166435 -0.075443 0.016079 0.005651 -0.072484 31O 2px -0.275651 0.071948 0.042157 0.062313 0.005599 0.060180 31O 2py -0.252286 0.111766 -0.049022 0.015115 0.010695 0.118968 31O 3pz 0.322653 0.171351 -0.014752 -0.025999 0.092971 -0.062538 31O 3px -0.138564 0.318784 -0.127924 0.153418 0.018500 0.315760 31O 3py -0.297937 -0.081117 0.388022 -0.042763 0.063617 -0.089693 31O 1dz2 0.001730 -0.034869 0.299736 -0.082788 0.134020 -0.274902 31O 1dxz 0.044390 0.181688 0.206551 -0.028753 0.296239 -0.044141 31O 1dyz -0.128497 -0.146458 -0.052502 -0.018790 -0.124170 -0.068360 31O 1dx2y2 0.108369 0.338435 -0.033070 0.060756 0.169202 0.323453 31O 1dxy 0.009196 -0.073071 0.222049 -0.033678 0.173330 -0.182177 31O 2dz2 -0.039587 0.003217 -0.223535 0.067359 -0.104890 0.181199 31O 2dxz -0.129992 -0.072178 -0.112251 0.010870 -0.205570 0.056514 31O 2dyz 0.007045 0.155073 0.043522 0.035080 0.095048 0.098287 31O 2dx2y2 -0.051822 -0.222928 -0.005531 -0.016960 -0.120938 -0.186487 31O 2dxy 0.125003 0.008168 -0.149727 0.013051 -0.119446 0.085909 31O 1f0 -0.057016 -0.024029 -0.035322 0.020623 -0.036904 -0.000275 31O 1f+1 -0.018609 0.019935 0.028241 -0.015787 -0.003652 0.010393 31O 1f-1 0.020578 0.045119 0.051953 -0.015572 0.007067 0.006854 31O 1f+2 0.006863 0.006405 0.026368 0.014885 0.040124 -0.002393 31O 1f-2 0.089332 -0.049842 -0.023476 0.000747 -0.021026 -0.077207 31O 1f+3 -0.092619 -0.008939 -0.019130 0.013675 -0.023025 0.047002 31O 1f-3 0.044848 -0.047023 -0.034215 0.000300 -0.034452 -0.002017 32O 1s -0.000340 -0.000528 -0.000894 -0.002114 -0.000435 -0.001012 32O 2s -0.000973 -0.001850 -0.003207 -0.008292 -0.001638 -0.003189 32O 3s 0.004397 0.026645 0.048470 0.148203 0.025555 0.039936 32O 4s -0.048701 -0.054504 -0.094893 -0.219606 -0.067787 -0.090566 32O 5s 0.274426 -0.019490 -0.081819 -0.799062 0.013527 0.055782 32O 1pz 0.000291 0.004170 0.005712 0.009632 -0.000187 0.003628 32O 1px -0.003917 -0.002988 -0.006438 -0.020050 -0.004409 -0.009248 32O 1py 0.002666 0.006628 0.012547 0.046449 0.005575 0.003157 32O 2pz 0.004799 -0.012756 -0.024583 -0.096174 0.003092 -0.017927 32O 2px -0.015508 0.025474 0.053172 0.218458 0.018163 0.040264 32O 2py -0.003465 -0.034710 -0.068177 -0.259937 -0.030474 -0.029382 32O 3pz -0.091412 0.116356 0.140025 0.066095 -0.008355 0.004264 32O 3px 0.108486 0.021574 -0.001438 -0.381631 0.026028 -0.023387 32O 3py 0.120772 0.019363 0.025922 -0.031123 -0.012133 0.055926 32O 1dz2 -0.160831 0.080031 0.091361 -0.077512 -0.032025 -0.046875 32O 1dxz 0.047807 -0.210359 -0.294895 -0.200944 0.007766 -0.061227 32O 1dyz 0.229691 -0.122375 -0.138147 0.044918 0.019686 0.072612 32O 1dx2y2 -0.110779 -0.006332 0.045140 0.723972 -0.082614 0.069106 32O 1dxy -0.322844 -0.104295 -0.152718 0.030749 -0.036770 -0.164278 32O 2dz2 0.143787 -0.061222 -0.078848 -0.039336 0.022353 0.032486 32O 2dxz -0.011096 0.142698 0.198021 0.074811 -0.009917 0.044511 32O 2dyz -0.168144 0.094665 0.104698 -0.053349 -0.012849 -0.057598 32O 2dx2y2 0.078449 0.006152 -0.027905 -0.504239 0.060573 -0.049980 32O 2dxy 0.214799 0.085434 0.129326 0.053045 0.036715 0.127964 32O 1f0 0.038845 -0.027320 -0.048497 -0.154618 -0.001877 -0.015657 32O 1f+1 -0.030943 0.029496 0.045595 0.082524 -0.000237 0.009108 32O 1f-1 0.036322 -0.012967 -0.028380 -0.104638 -0.005652 -0.002507 32O 1f+2 0.015134 -0.018336 -0.013399 0.117444 0.001766 0.020769 32O 1f-2 0.015769 0.007933 0.013378 -0.056359 -0.009600 -0.000376 32O 1f+3 0.013666 0.025206 0.037195 0.039544 0.006229 0.016409 32O 1f-3 -0.006201 0.002700 0.006484 0.091203 -0.000430 0.004068 33O 1s -0.000679 -0.003325 -0.001187 -0.000862 -0.000221 0.000060 33O 2s -0.002987 -0.011902 -0.006845 -0.003352 -0.000868 0.000464 33O 3s 0.057690 0.169594 0.155278 0.050718 0.013376 -0.016757 33O 4s -0.219403 -0.503813 -0.586448 -0.131877 -0.038486 0.074950 33O 5s 0.078705 0.270972 -0.178429 -0.382175 0.042990 0.169798 33O 1pz -0.002059 0.018360 0.031919 -0.006184 -0.003554 0.003179 33O 1px -0.009658 -0.017784 -0.010919 -0.018474 -0.004867 0.004860 33O 1py 0.023117 -0.001120 0.009930 0.006021 0.008758 -0.004702 33O 2pz -0.031011 -0.085174 -0.289370 -0.013836 -0.001709 0.065710 33O 2px 0.105614 0.136359 0.241923 0.102088 0.016580 -0.052340 33O 2py -0.095857 0.023833 -0.062268 -0.031536 -0.010202 0.047903 33O 3pz -0.206086 -0.422437 -0.074467 -0.142574 0.034374 0.055275 33O 3px -0.059137 -0.075704 0.340907 0.145057 0.026005 -0.192644 33O 3py 0.123936 -0.354500 0.024790 0.057080 -0.103771 -0.138963 33O 1dz2 -0.220597 0.158155 -0.066374 -0.068562 0.158667 0.157858 33O 1dxz -0.192729 -0.008410 0.106810 -0.049461 0.202131 -0.017501 33O 1dyz 0.056409 -0.173561 -0.004885 0.015510 -0.045389 -0.077649 33O 1dx2y2 -0.332105 -0.137624 0.145944 -0.032450 0.265155 -0.148943 33O 1dxy 0.081251 -0.297560 0.119273 0.022141 -0.177163 -0.204834 33O 2dz2 0.179457 -0.110115 -0.004518 0.039756 -0.121315 -0.077187 33O 2dxz 0.168271 0.073017 0.071720 0.061641 -0.135331 -0.026261 33O 2dyz -0.056047 0.123776 -0.025915 -0.039961 0.036929 0.071725 33O 2dx2y2 0.195131 0.046200 -0.160306 0.011640 -0.192949 0.101616 33O 2dxy -0.025778 0.203668 -0.045821 0.007155 0.120667 0.124072 33O 1f0 0.087632 -0.013183 0.003740 0.032953 -0.028540 -0.003920 33O 1f+1 -0.005631 0.059191 0.088734 0.010650 0.008848 -0.050517 33O 1f-1 -0.015132 0.001449 0.013185 -0.019521 0.014690 -0.014845 33O 1f+2 -0.013006 -0.025922 -0.070118 -0.014225 0.014023 0.021726 33O 1f-2 0.035326 0.017747 0.036493 0.025000 0.010384 -0.033096 33O 1f+3 0.058280 -0.006209 -0.016060 0.006208 -0.054082 -0.001512 33O 1f-3 0.001345 0.037050 0.040045 0.020787 0.023395 -0.000535 34O 1s 0.002123 -0.002381 0.001010 0.001943 -0.000210 -0.000031 34O 2s 0.009527 -0.007565 0.002161 0.008242 -0.000795 0.000390 34O 3s -0.178699 0.087090 0.001324 -0.143104 0.010975 -0.021959 34O 4s 0.618781 -0.217272 -0.082697 0.460386 -0.030598 0.107989 34O 5s -0.134732 0.295115 -0.143431 0.386480 -0.021974 0.263659 34O 1pz -0.004331 0.008306 0.024274 0.005814 -0.009685 0.003550 34O 1px -0.029368 0.014763 0.003473 -0.026266 0.000913 -0.005378 34O 1py 0.024774 0.012820 0.001321 0.006328 -0.005414 0.003757 34O 2pz -0.012604 -0.022084 -0.100179 -0.024197 0.013026 0.020723 34O 2px 0.310676 -0.028243 -0.117209 0.257225 -0.014204 0.120343 34O 2py -0.117530 -0.080567 0.026709 -0.056089 0.008029 -0.089064 34O 3pz 0.171915 -0.125435 0.315606 -0.036355 0.095280 -0.102765 34O 3px 0.250840 0.023508 -0.047834 0.355872 0.009848 0.278026 34O 3py -0.163558 0.418485 -0.116925 -0.112423 0.051215 0.159595 34O 1dz2 0.087935 0.293447 0.223355 -0.091297 0.338597 0.109075 34O 1dxz -0.047727 0.178721 -0.139366 0.042952 -0.084960 0.259739 34O 1dyz -0.149692 0.141654 -0.248488 0.015336 -0.110225 0.222109 34O 1dx2y2 0.103363 0.091882 0.145854 -0.054919 0.154648 -0.075680 34O 1dxy -0.043922 -0.211872 0.068702 -0.011605 -0.125284 -0.232125 34O 2dz2 -0.136482 -0.198010 -0.130457 0.005462 -0.238720 -0.106476 34O 2dxz 0.014901 -0.129860 0.054359 -0.020086 0.049408 -0.145926 34O 2dyz 0.116003 -0.092165 0.178722 -0.016878 0.082721 -0.155251 34O 2dx2y2 0.048663 -0.090359 -0.141675 0.112515 -0.118573 0.080131 34O 2dxy -0.034203 0.107873 -0.029751 -0.064269 0.085358 0.094902 34O 1f0 0.002592 0.037569 0.025316 -0.014305 0.011762 0.005401 34O 1f+1 -0.077177 -0.035159 -0.031181 -0.032042 -0.045825 -0.034761 34O 1f-1 0.021653 0.005889 0.003107 0.019452 -0.023314 0.035878 34O 1f+2 0.026745 -0.025880 -0.027449 0.007331 0.010736 0.046387 34O 1f-2 0.036940 0.026012 0.024499 0.009842 0.011059 0.005602 34O 1f+3 -0.028177 0.045083 0.069385 -0.033356 0.037325 -0.026100 34O 1f-3 0.076429 -0.013194 -0.017644 0.080783 -0.020156 0.063910 35O 1s -0.001125 0.000499 -0.003045 0.001612 -0.000218 0.000159 35O 2s -0.004972 -0.001076 -0.011469 0.006502 -0.000824 0.000122 35O 3s 0.091666 0.074993 0.172897 -0.106064 0.011713 0.010239 35O 4s -0.308985 -0.345198 -0.526588 0.316039 -0.028151 -0.054874 35O 5s -0.117497 -0.187038 0.313315 0.348251 0.027720 -0.200300 35O 1pz -0.008169 0.026518 0.012075 0.001410 -0.006794 -0.002289 35O 1px 0.005878 0.013103 0.028873 -0.024811 -0.000277 0.004656 35O 1py 0.032166 0.013709 0.010848 -0.005017 0.010446 0.007205 35O 2pz 0.025069 -0.122783 -0.016487 0.006336 0.013237 -0.040220 35O 2px -0.120300 -0.241552 -0.195601 0.188356 -0.009982 -0.073611 35O 2py -0.171002 -0.135260 -0.055065 0.057536 -0.017353 -0.074319 35O 3pz -0.163746 0.217597 -0.426568 0.013011 0.041098 0.110382 35O 3px -0.235710 -0.244493 -0.074820 0.211819 0.035333 -0.203909 35O 3py 0.065740 -0.021084 -0.349986 0.204361 -0.098317 0.081409 35O 1dz2 -0.300195 0.136604 -0.015500 -0.113252 0.287280 0.019857 35O 1dxz -0.060984 -0.198638 0.271935 0.003665 0.002589 -0.261821 35O 1dyz 0.168852 0.018418 -0.179126 0.077790 -0.213280 0.101749 35O 1dx2y2 -0.113626 0.117578 -0.160074 -0.042478 0.049684 0.149512 35O 1dxy -0.147664 -0.020511 0.012182 -0.068398 0.200357 -0.016425 35O 2dz2 0.249167 -0.033762 0.066398 0.048223 -0.203249 0.000149 35O 2dxz 0.043610 0.084570 -0.187068 0.026773 -0.007590 0.141455 35O 2dyz -0.122981 -0.029200 0.132190 -0.034684 0.151702 -0.088313 35O 2dx2y2 0.076208 -0.148391 0.032966 0.066155 -0.047619 -0.113088 35O 2dxy 0.012378 -0.068360 -0.059142 0.105120 -0.141834 -0.019921 35O 1f0 0.005820 0.029639 0.032892 -0.022919 0.018708 0.039082 35O 1f+1 0.087315 0.030331 0.025279 -0.008381 -0.034461 0.010216 35O 1f-1 0.053666 0.025450 0.016060 -0.003965 -0.008248 0.035004 35O 1f+2 0.030271 -0.047121 -0.048032 0.024807 -0.007060 -0.022718 35O 1f-2 -0.035355 -0.008481 -0.012936 0.010632 0.034902 -0.017492 35O 1f+3 -0.078806 0.022958 0.008205 0.007232 0.003630 0.008403 35O 1f-3 0.014744 0.064812 0.054843 -0.060135 0.042905 0.028372 702 703 704 705 706 707 6.57182 6.61564 6.71362 6.72579 6.72912 6.73027 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s -0.000116 -0.003385 -0.000004 0.000003 0.000000 0.000151 0Rh 2s 0.000720 0.025251 0.011823 -0.001277 -0.000287 -0.001449 0Rh 3s -0.000285 -0.005784 0.006911 -0.000733 -0.000166 0.000070 0Rh 4s -0.004794 -0.164916 -0.069932 0.007569 0.001681 0.009258 0Rh 5s 0.013642 0.479088 0.230269 -0.024925 -0.005308 -0.027252 0Rh 6s -0.016448 -0.644459 -0.464332 0.050137 0.009690 0.037976 0Rh 7s 0.042919 1.646243 1.818052 -0.194864 -0.041911 -0.089295 0Rh 8s -0.028448 0.108098 -0.473453 0.055606 -0.094967 -0.025166 0Rh 1pz 0.041397 0.021501 0.003780 -0.000495 0.019679 0.057482 0Rh 1px 0.013079 -0.063905 -0.019499 0.002764 -0.007494 0.022288 0Rh 1py 0.000517 -0.012194 -0.004690 -0.002440 0.059978 -0.015793 0Rh 2pz -0.174777 -0.090780 -0.016043 0.002129 -0.083704 -0.244538 0Rh 2px -0.055226 0.269785 0.082818 -0.011725 0.031810 -0.094793 0Rh 2py -0.002193 0.051475 0.019948 0.010356 -0.255180 0.067195 0Rh 3pz 0.604342 0.312897 0.057091 -0.008225 0.300460 0.878553 0Rh 3px 0.191051 -0.929344 -0.295325 0.041476 -0.112827 0.339983 0Rh 3py 0.007774 -0.177227 -0.071590 -0.036683 0.917245 -0.241540 0Rh 4pz -0.872742 -0.442888 -0.087442 0.014863 -0.460300 -1.348031 0Rh 4px -0.276098 1.313898 0.449110 -0.061803 0.169036 -0.519410 0Rh 4py -0.011905 0.250274 0.109257 0.054378 -1.408438 0.370874 0Rh 5pz 0.615952 0.271768 0.069578 -0.016467 0.355470 1.043585 0Rh 5px 0.194840 -0.802687 -0.338807 0.043669 -0.125331 0.396734 0Rh 5py 0.010291 -0.152011 -0.079777 -0.037478 1.091591 -0.286943 0Rh 6pz -0.182610 0.265715 -0.070488 -0.015938 -0.206791 -0.554462 0Rh 6px -0.063033 -0.823353 0.152663 -0.018160 0.121188 -0.179473 0Rh 6py -0.020628 -0.178302 -0.016140 -0.016833 -0.580206 0.144867 0Rh 1dz2 -0.004205 0.005863 0.000111 0.009398 0.002197 0.006168 0Rh 1dxz 0.006097 0.008612 -0.001926 -0.000697 -0.004722 -0.011530 0Rh 1dyz -0.000953 0.001282 0.001919 0.023221 0.002882 -0.004445 0Rh 1dx2y2 0.001810 -0.012692 0.002883 0.003169 0.004028 -0.005006 0Rh 1dxy -0.000545 -0.004175 0.002953 0.008556 -0.012925 0.002516 0Rh 2dz2 0.000456 -0.001339 -0.002293 -0.006790 -0.001262 -0.003788 0Rh 2dxz -0.000477 -0.002106 -0.001843 0.000891 0.002968 0.007256 0Rh 2dyz 0.000718 -0.000227 -0.002045 -0.017393 -0.001706 0.002706 0Rh 2dx2y2 0.000049 0.003024 0.002512 -0.002868 -0.002575 0.002906 0Rh 2dxy 0.000370 0.000885 -0.000254 -0.006835 0.008028 -0.001610 0Rh 3dz2 0.021712 -0.026941 0.011738 -0.019170 -0.006362 -0.016448 0Rh 3dxz -0.032375 -0.038914 0.021407 -0.000638 0.012209 0.029818 0Rh 3dyz 0.001889 -0.006239 -0.000319 -0.044085 -0.008029 0.011914 0Rh 3dx2y2 -0.010574 0.057652 -0.030739 -0.003350 -0.010138 0.014247 0Rh 3dxy 0.001246 0.019566 -0.016214 -0.013940 0.033998 -0.006347 0Rh 4dz2 -0.057760 0.070930 -0.049860 0.016046 0.013150 0.030657 0Rh 4dxz 0.086297 0.101893 -0.076346 0.007021 -0.021387 -0.053027 0Rh 4dyz -0.003270 0.016887 -0.012070 0.026499 0.015680 -0.021714 0Rh 4dx2y2 0.029041 -0.150799 0.109273 -0.007666 0.017081 -0.028463 0Rh 4dxy -0.002247 -0.051900 0.048443 0.000107 -0.062010 0.010911 0Rh 5dz2 0.130625 -0.155692 0.232872 0.208720 -0.009133 0.000987 0Rh 5dxz -0.197365 -0.223611 0.293181 -0.049197 -0.010492 -0.019721 0Rh 5dyz -0.004100 -0.039040 0.116447 0.569931 -0.004370 -0.003015 0Rh 5dx2y2 -0.070195 0.328454 -0.420663 0.131385 0.012178 0.013438 0Rh 5dxy -0.000706 0.115305 -0.145903 0.255373 -0.011826 0.007624 0Rh 1f0 -0.006889 -0.009747 0.006021 0.006820 0.024381 -0.019244 0Rh 1f+1 -0.007121 0.008089 -0.007172 -0.012360 0.008743 0.010176 0Rh 1f-1 0.008241 0.001588 -0.003451 0.011871 0.046663 0.027345 0Rh 1f+2 -0.005269 0.011852 -0.004707 0.008684 0.000440 -0.046830 0Rh 1f-2 0.002076 0.004875 -0.007975 -0.028274 0.035108 -0.012136 0Rh 1f+3 0.001838 0.014808 -0.008506 0.004229 -0.012095 0.028114 0Rh 1f-3 -0.002596 0.009364 -0.005088 0.016160 0.013328 -0.006797 1Rh 1s -0.000131 0.003384 -0.000002 0.000003 -0.000000 -0.000147 1Rh 2s 0.000813 -0.025239 0.011816 -0.001288 0.000309 0.001515 1Rh 3s -0.000319 0.005782 0.006917 -0.000736 0.000181 -0.000003 1Rh 4s -0.005413 0.164840 -0.069881 0.007637 -0.001811 -0.009632 1Rh 5s 0.015408 -0.478869 0.230132 -0.025130 0.005746 0.028577 1Rh 6s -0.018660 0.644166 -0.464198 0.050459 -0.010629 -0.041125 1Rh 7s 0.044829 -1.645474 1.817847 -0.196193 0.046589 0.102809 1Rh 8s -0.026458 -0.108261 -0.473960 0.053975 0.093829 0.021775 1Rh 1pz -0.041349 0.021523 -0.004282 -0.000461 0.019672 0.057461 1Rh 1px -0.013101 -0.063866 0.019408 -0.002741 -0.007426 0.022541 1Rh 1py -0.000490 -0.012255 0.004447 0.000673 0.060064 -0.015746 1Rh 2pz 0.174573 -0.090873 0.018178 0.001937 -0.083675 -0.244449 1Rh 2px 0.055311 0.269622 -0.082430 0.011628 0.031521 -0.095865 1Rh 2py 0.002080 0.051735 -0.018915 -0.002842 -0.255545 0.066992 1Rh 3pz -0.603684 0.313216 -0.064757 -0.006384 0.300390 0.878260 1Rh 3px -0.191211 -0.928782 0.293918 -0.041125 -0.111789 0.343783 1Rh 3py -0.007405 -0.178136 0.067894 0.009719 0.918551 -0.240794 1Rh 4pz 0.871961 -0.443325 0.099188 0.007572 -0.460279 -1.347640 1Rh 4px 0.275865 1.313089 -0.446916 0.061234 0.167409 -0.525089 1Rh 4py 0.011448 0.251604 -0.103617 -0.013095 -1.410406 0.369659 1Rh 5pz -0.615851 0.272019 -0.078558 -0.000959 0.355577 1.043366 1Rh 5px -0.193658 -0.802133 0.337088 -0.043072 -0.123903 0.400755 1Rh 5py -0.010235 -0.152966 0.075448 0.005648 1.092976 -0.285802 1Rh 6pz 0.186401 0.263322 0.072257 0.025954 -0.205584 -0.553574 1Rh 6px 0.056867 -0.824125 -0.153377 0.014852 0.119545 -0.179450 1Rh 6py 0.022662 -0.177450 0.018953 0.034005 -0.578646 0.142662 1Rh 1dz2 -0.004115 -0.005873 0.000203 0.009494 -0.001912 -0.006153 1Rh 1dxz 0.006194 -0.008607 -0.002060 -0.000903 0.004687 0.011469 1Rh 1dyz -0.000950 -0.001276 0.001952 0.023285 -0.002154 0.004656 1Rh 1dx2y2 0.001724 0.012690 0.002852 0.003246 -0.003909 0.005072 1Rh 1dxy -0.000539 0.004195 0.002901 0.008158 0.013203 -0.002446 1Rh 2dz2 0.000435 0.001343 -0.002346 -0.006844 0.001045 0.003744 1Rh 2dxz -0.000497 0.002103 -0.001761 0.001025 -0.002949 -0.007252 1Rh 2dyz 0.000724 0.000223 -0.002058 -0.017430 0.001163 -0.002865 1Rh 2dx2y2 0.000054 -0.003024 0.002530 -0.002923 0.002498 -0.002902 1Rh 2dxy 0.000359 -0.000889 -0.000220 -0.006592 -0.008237 0.001573 1Rh 3dz2 0.021307 0.026978 0.011471 -0.019452 0.005840 0.016595 1Rh 3dxz -0.032829 0.038905 0.021763 -0.000130 -0.012102 -0.029473 1Rh 3dyz 0.001842 0.006224 -0.000441 -0.044271 0.006632 -0.012309 1Rh 3dx2y2 -0.010105 -0.057646 -0.030652 -0.003511 0.009846 -0.014660 1Rh 3dxy 0.001272 -0.019661 -0.016086 -0.012877 -0.034523 0.006129 1Rh 4dz2 -0.056695 -0.071018 -0.049327 0.016628 -0.012897 -0.031386 1Rh 4dxz 0.087503 -0.101884 -0.077012 0.006176 0.021168 0.052006 1Rh 4dyz -0.003088 -0.016851 -0.011774 0.026876 -0.014772 0.021952 1Rh 4dx2y2 0.027716 0.150794 0.109110 -0.007453 -0.016674 0.029710 1Rh 4dxy -0.002378 0.052152 0.048232 -0.001867 0.062321 -0.010492 1Rh 5dz2 0.128016 0.155854 0.232575 0.208315 0.016527 0.002996 1Rh 5dxz -0.200280 0.223599 0.293296 -0.049978 0.010512 0.022603 1Rh 5dyz -0.005081 0.038902 0.115965 0.569741 0.021807 0.007850 1Rh 5dx2y2 -0.066534 -0.328508 -0.420628 0.131906 -0.010501 -0.016913 1Rh 5dxy -0.000135 -0.115881 -0.146084 0.255243 0.018653 -0.007254 1Rh 1f0 0.006891 -0.009754 -0.006054 -0.007455 0.024116 -0.019358 1Rh 1f+1 0.007102 0.008082 0.006973 0.012027 0.009164 0.010285 1Rh 1f-1 -0.008227 0.001559 0.003010 -0.013510 0.046375 0.027264 1Rh 1f+2 0.005231 0.011862 0.005062 -0.008406 0.000185 -0.046995 1Rh 1f-2 -0.002155 0.004867 0.007830 0.027294 0.035983 -0.011932 1Rh 1f+3 -0.001834 0.014797 0.008374 -0.004042 -0.012158 0.028104 1Rh 1f-3 0.002584 0.009373 0.005078 -0.016465 0.012877 -0.006911 2C 1s 0.000319 -0.000294 0.002070 0.002545 -0.003310 -0.002623 2C 2s 0.000744 -0.000586 -0.000600 0.000095 -0.001765 -0.001711 2C 3s -0.026059 0.015226 0.223731 0.244498 -0.199003 -0.147303 2C 4s 0.085654 -0.053918 -1.356283 -1.413680 1.265785 0.978588 2C 5s -0.453173 0.193714 0.358634 0.458540 -0.396685 -0.166192 2C 1pz -0.003620 0.001528 0.030686 0.027397 -0.014346 -0.013094 2C 1px 0.011940 -0.003190 0.009479 0.008594 -0.005211 -0.005005 2C 1py 0.004956 -0.000281 0.019037 0.017370 -0.009960 -0.007207 2C 2pz 0.057343 -0.016458 -0.865927 -0.826649 0.731229 0.608832 2C 2px -0.100084 0.002370 -0.198651 -0.191408 0.184588 0.149047 2C 2py -0.037498 -0.001420 -0.584541 -0.556654 0.503006 0.409331 2C 3pz -0.067868 0.023442 0.008495 -0.023613 -0.003552 0.042457 2C 3px -0.023344 0.005050 0.087560 0.085285 -0.045244 -0.009484 2C 3py -0.036700 0.015638 -0.011932 -0.024238 0.030775 0.004347 2C 1dz2 0.010303 -0.000793 -0.019197 -0.024163 0.022256 0.018724 2C 1dxz -0.018184 0.000857 -0.018011 -0.013572 0.015609 0.018288 2C 1dyz 0.003880 0.000153 -0.029899 -0.036322 0.037353 0.028290 2C 1dx2y2 -0.000952 0.001453 0.011936 0.012273 -0.012505 -0.008521 2C 1dxy -0.013438 0.000498 -0.008490 -0.007007 0.010125 0.008978 2C 2dz2 0.058051 -0.011682 -0.194515 -0.195742 0.149708 0.152728 2C 2dxz -0.105086 0.019981 -0.065406 -0.047120 0.032210 0.067684 2C 2dyz 0.015550 -0.012209 -0.320372 -0.314298 0.285491 0.214997 2C 2dx2y2 -0.004119 -0.001565 0.074157 0.072043 -0.071469 -0.039310 2C 2dxy -0.053410 0.008232 -0.061452 -0.046957 0.055495 0.037371 2C 1f0 0.041012 -0.010296 -0.004680 -0.016277 0.002085 0.012445 2C 1f+1 -0.030827 0.005125 -0.023235 -0.026047 0.022948 0.030983 2C 1f-1 0.018346 -0.005039 -0.037366 -0.047726 0.038387 0.025846 2C 1f+2 -0.027179 0.009586 0.021681 0.037989 -0.034367 -0.013622 2C 1f-2 -0.046589 0.009221 -0.020425 -0.021037 0.023470 0.016085 2C 1f+3 -0.027707 0.007629 -0.011387 -0.003396 0.000020 0.016211 2C 1f-3 0.012081 -0.003581 -0.008187 -0.015000 0.022217 -0.000979 3C 1s 0.000306 -0.000200 0.001443 -0.002861 0.002596 -0.003405 3C 2s 0.000621 -0.000411 -0.000639 0.000057 0.001748 -0.001751 3C 3s -0.012799 0.012073 0.164939 -0.283461 0.145067 -0.205193 3C 4s 0.051015 -0.041128 -1.015327 1.650861 -0.970360 1.297066 3C 5s -0.046176 0.161260 0.255573 -0.504883 0.138846 -0.392468 3C 1pz -0.004161 0.000925 0.012351 -0.016006 0.005603 -0.007673 3C 1px 0.006937 -0.003328 0.009514 -0.014726 0.005415 -0.007591 3C 1py 0.000608 -0.001217 -0.024424 0.034459 -0.013623 0.015303 3C 2pz 0.038203 -0.000723 -0.400665 0.565357 -0.359203 0.432425 3C 2px -0.059804 0.008666 -0.255259 0.399660 -0.232565 0.315099 3C 2py -0.015408 0.014872 0.669512 -0.987728 0.609177 -0.746011 3C 3pz 0.007178 0.015211 -0.035668 0.085574 -0.014370 0.054591 3C 3px -0.032104 0.005002 0.032510 -0.053756 0.001370 -0.012103 3C 3py -0.020529 -0.021842 -0.033107 0.007382 0.040885 0.011915 3C 1dz2 0.003122 -0.000305 0.003444 -0.008323 0.006883 -0.008183 3C 1dxz -0.006804 -0.001268 -0.008463 0.015703 -0.008388 0.015124 3C 1dyz -0.006518 0.000424 0.017627 -0.033102 0.023452 -0.030642 3C 1dx2y2 -0.006885 0.000613 0.019502 -0.028702 0.023413 -0.023190 3C 1dxy 0.012449 -0.001127 0.013767 -0.028423 0.018529 -0.025594 3C 2dz2 0.029703 -0.001624 0.040864 -0.061449 0.046329 -0.035801 3C 2dxz -0.044552 0.010351 -0.060711 0.097229 -0.048797 0.081060 3C 2dyz -0.033858 0.015671 0.226201 -0.340595 0.187216 -0.267659 3C 2dx2y2 -0.045110 0.008086 0.142120 -0.205729 0.151076 -0.132540 3C 2dxy 0.055280 -0.012645 0.120384 -0.181088 0.114773 -0.134773 3C 1f0 0.004223 -0.002014 0.017919 -0.025360 0.019374 -0.012358 3C 1f+1 0.006618 -0.002287 -0.001953 0.009215 0.004933 0.017717 3C 1f-1 -0.013413 0.004174 0.004224 -0.001423 -0.004111 -0.005257 3C 1f+2 -0.027579 0.010666 0.016048 -0.036038 0.011471 -0.030681 3C 1f-2 0.013934 -0.001493 0.016103 -0.044986 0.018140 -0.039918 3C 1f+3 -0.026708 0.008045 -0.017657 0.043790 -0.023329 0.037191 3C 1f-3 -0.037000 0.012041 0.015106 -0.025157 0.026923 -0.011910 4C 1s 0.001376 0.000344 -0.001550 -0.001709 0.008905 0.007356 4C 2s 0.001802 0.000518 0.001756 0.004166 0.005981 0.004823 4C 3s 0.021619 0.000922 -0.556495 -0.680667 0.644025 0.527823 4C 4s -0.182052 -0.010580 2.717310 3.161668 -3.198493 -2.613492 4C 5s 0.129673 -0.104621 0.425344 0.353497 -0.498821 -0.513675 4C 1pz 0.013284 -0.019061 0.042397 0.026278 -0.043425 -0.028846 4C 1px -0.048904 0.054808 0.006506 0.004417 -0.011290 -0.002662 4C 1py -0.010981 0.009693 0.026093 0.015130 -0.019877 -0.027240 4C 2pz 0.090820 -0.032778 -0.319747 -0.178140 -0.016785 0.104312 4C 2px -0.330229 0.028518 -0.093148 -0.042849 -0.014575 0.088553 4C 2py -0.064528 -0.013578 -0.212987 -0.102126 0.135867 -0.110257 4C 3pz -0.244279 0.074811 0.526939 0.472612 -0.355863 -0.351686 4C 3px 0.111468 -0.083996 0.054433 0.035454 0.012022 -0.075832 4C 3py -0.113819 0.014935 0.365916 0.311819 -0.343550 -0.114102 4C 1dz2 0.015577 -0.009224 -0.025878 -0.013596 0.023620 0.060562 4C 1dxz -0.024188 0.025950 -0.032434 -0.038423 0.056635 0.062845 4C 1dyz 0.000059 0.000894 -0.000217 0.029771 -0.000994 -0.020575 4C 1dx2y2 -0.007955 -0.004389 0.057114 0.062729 -0.122091 -0.077207 4C 1dxy -0.027165 0.016154 0.026180 0.030555 -0.055491 -0.044989 4C 2dz2 0.145265 0.016875 0.330529 0.277720 -0.306305 -0.141601 4C 2dxz -0.192634 -0.014122 0.088020 0.075930 -0.013657 0.048126 4C 2dyz -0.002567 -0.000036 0.618149 0.583889 -0.546751 -0.521533 4C 2dx2y2 -0.055426 -0.005752 -0.024887 0.035520 -0.162881 -0.045389 4C 2dxy -0.168223 -0.015193 0.187645 0.216945 -0.251515 -0.189168 4C 1f0 -0.064541 0.025459 -0.044117 -0.050727 0.081665 0.062560 4C 1f+1 0.075504 -0.020495 -0.048746 -0.097366 0.169374 0.048571 4C 1f-1 -0.007745 -0.001972 -0.014502 -0.032885 0.028834 0.039156 4C 1f+2 0.054086 -0.026864 0.054358 0.085280 -0.140690 -0.076162 4C 1f-2 0.069319 -0.014997 0.012947 -0.012156 -0.059209 0.046597 4C 1f+3 0.091434 -0.032472 0.014487 0.001906 0.038726 -0.095459 4C 1f-3 0.038146 -0.013015 -0.048720 -0.080776 0.051736 0.165999 5C 1s -0.000744 -0.000044 -0.000985 0.002128 -0.007314 0.008968 5C 2s -0.000710 0.000000 0.001186 -0.004106 -0.004932 0.006164 5C 3s -0.022232 -0.002922 -0.397997 0.775191 -0.519765 0.646696 5C 4s 0.120368 0.023258 1.965554 -3.644935 2.580264 -3.220729 5C 5s 0.123726 -0.064141 0.339868 -0.449807 0.522228 -0.496114 5C 1pz 0.011570 -0.017929 0.018138 -0.016917 0.026393 -0.015196 5C 1px -0.033239 0.054481 0.015553 -0.014603 0.009102 -0.017595 5C 1py -0.006757 0.009767 -0.034003 0.034021 -0.030053 0.044553 5C 2pz 0.095992 -0.024376 -0.139122 0.092310 0.117822 0.110702 5C 2px -0.199295 0.024305 -0.095407 0.096316 0.007877 0.072239 5C 2py -0.079990 0.016431 0.298788 -0.251110 0.130812 0.012813 5C 3pz 0.017713 0.059097 0.268760 -0.363297 0.079657 -0.327920 5C 3px 0.147219 -0.066131 0.156082 -0.177882 0.099299 -0.134819 5C 3py -0.064805 -0.069620 -0.406069 0.547289 -0.337470 0.318073 5C 1dz2 0.003256 -0.010043 -0.015215 0.045628 -0.030257 0.083499 5C 1dxz -0.015940 0.012683 -0.027164 0.039787 -0.047703 0.074723 5C 1dyz -0.008664 0.011041 -0.006760 0.044286 -0.043572 0.027048 5C 1dx2y2 -0.003293 0.011043 0.040617 -0.064236 0.097842 -0.089085 5C 1dxy 0.022676 -0.022572 0.016349 -0.008976 0.032987 -0.024539 5C 2dz2 0.047242 0.004546 -0.149592 0.261528 -0.160396 0.328189 5C 2dxz -0.107759 -0.013247 0.089228 -0.082309 0.043490 0.027460 5C 2dyz -0.078677 -0.010403 -0.438387 0.662139 -0.505410 0.557004 5C 2dx2y2 -0.055744 -0.007742 -0.187585 0.218086 -0.022652 0.138770 5C 2dxy 0.138466 0.021388 -0.253217 0.323028 -0.201660 0.231477 5C 1f0 -0.026361 0.021048 -0.015616 0.032104 -0.071737 0.020424 5C 1f+1 0.007981 -0.012571 -0.031265 0.071281 -0.144866 0.022482 5C 1f-1 0.014399 -0.003402 -0.011717 -0.000959 -0.034745 -0.041601 5C 1f+2 0.057664 -0.029508 0.001824 -0.037299 0.083336 0.023843 5C 1f-2 0.003799 -0.004202 0.027143 -0.077269 0.067948 -0.104582 5C 1f+3 0.067700 -0.034485 -0.031598 0.086728 -0.093669 0.103513 5C 1f-3 0.064983 -0.021820 0.027833 -0.107402 0.042211 -0.195499 6C 1s -0.000760 0.000053 -0.000979 0.001940 0.007376 -0.008982 6C 2s -0.000743 0.000012 0.001187 -0.004255 0.004813 -0.006236 6C 3s -0.021510 0.003111 -0.397028 0.762771 0.540876 -0.643846 6C 4s 0.117753 -0.024902 1.961266 -3.581724 -2.679082 3.210424 6C 5s 0.127009 0.065708 0.341830 -0.435741 -0.533300 0.496891 6C 1pz -0.011705 -0.017965 -0.018278 0.016192 0.026682 -0.015278 6C 1px 0.033385 0.054643 -0.015149 0.014399 0.009712 -0.017568 6C 1py 0.006821 0.009761 0.033876 -0.033283 -0.030714 0.044647 6C 2pz -0.097260 -0.024106 0.136706 -0.096857 0.116455 0.110775 6C 2px 0.202640 0.022374 0.095175 -0.096776 0.005997 0.073483 6C 2py 0.080810 0.016464 -0.297738 0.247831 0.134946 0.014430 6C 3pz -0.018069 0.060004 -0.268723 0.361161 0.091943 -0.329170 6C 3px -0.144622 -0.066644 -0.156396 0.174233 0.105032 -0.134819 6C 3py 0.064768 -0.070586 0.408992 -0.537206 -0.355676 0.320993 6C 1dz2 0.003325 0.010011 -0.014859 0.045071 0.031621 -0.083451 6C 1dxz -0.016096 -0.012544 -0.027061 0.038738 0.048704 -0.074813 6C 1dyz -0.008749 -0.010963 -0.006887 0.043066 0.044813 -0.026652 6C 1dx2y2 -0.003193 -0.010957 0.040563 -0.061745 -0.099467 0.089068 6C 1dxy 0.023109 0.022485 0.016500 -0.008138 -0.033132 0.024545 6C 2dz2 0.047201 -0.004718 -0.148764 0.258257 0.167595 -0.327865 6C 2dxz -0.107800 0.013690 0.089315 -0.081365 -0.044867 -0.027882 6C 2dyz -0.078573 0.010877 -0.437345 0.649392 0.522509 -0.555575 6C 2dx2y2 -0.056225 0.007925 -0.185615 0.217746 0.026760 -0.138506 6C 2dxy 0.139091 -0.021889 -0.252640 0.318859 0.209452 -0.230684 6C 1f0 0.026652 0.021024 0.016001 -0.029987 -0.072663 0.020481 6C 1f+1 -0.008080 -0.012483 0.032008 -0.067043 -0.146863 0.021813 6C 1f-1 -0.014392 -0.003483 0.011989 0.002227 -0.034589 -0.041962 6C 1f+2 -0.057853 -0.029495 -0.002593 0.034681 0.084284 0.024002 6C 1f-2 -0.003834 -0.003924 -0.026843 0.075714 0.070188 -0.104116 6C 1f+3 -0.067815 -0.034477 0.031442 -0.084426 -0.096247 0.102526 6C 1f-3 -0.064702 -0.021783 -0.027104 0.107000 0.045291 -0.195554 7C 1s 0.001417 -0.000349 -0.001455 -0.001369 -0.008964 -0.007402 7C 2s 0.001870 -0.000527 0.001812 0.004408 -0.005846 -0.004820 7C 3s 0.020956 -0.001156 -0.548899 -0.656659 -0.666332 -0.537617 7C 4s -0.181242 0.011774 2.680016 3.041433 3.302054 2.662071 7C 5s 0.131876 0.106999 0.420036 0.335029 0.513572 0.516969 7C 1pz -0.013291 -0.019213 -0.041695 -0.024628 -0.044231 -0.029292 7C 1px 0.049097 0.055105 -0.006656 -0.003874 -0.011139 -0.002885 7C 1py 0.011023 0.009681 -0.026026 -0.014415 -0.020560 -0.027862 7C 2pz -0.091501 -0.032457 0.315913 0.176033 -0.012576 0.108518 7C 2px 0.334537 0.028118 0.091710 0.042524 -0.012883 0.089043 7C 2py 0.065658 -0.013694 0.215384 0.102091 0.139587 -0.106890 7C 3pz 0.245922 0.076235 -0.523512 -0.459845 -0.375817 -0.358232 7C 3px -0.111582 -0.084987 -0.053681 -0.033477 0.010816 -0.075915 7C 3py 0.115999 0.015616 -0.363172 -0.299442 -0.356544 -0.118225 7C 1dz2 0.015837 0.009110 -0.025293 -0.012301 -0.024493 -0.061040 7C 1dxz -0.024375 -0.025981 -0.031633 -0.036152 -0.058092 -0.063596 7C 1dyz 0.000024 -0.000925 -0.000517 0.029468 0.002042 0.020781 7C 1dx2y2 -0.008225 0.004564 0.056010 0.058379 0.124226 0.077964 7C 1dxy -0.027413 -0.016147 0.025734 0.028464 0.056419 0.045617 7C 2dz2 0.146340 -0.016833 0.325338 0.264934 0.312637 0.143981 7C 2dxz -0.193165 0.014257 0.086354 0.074972 0.015050 -0.047820 7C 2dyz -0.001776 0.000377 0.611880 0.564222 0.568279 0.531912 7C 2dx2y2 -0.055419 0.005780 -0.027429 0.028441 0.162607 0.043459 7C 2dxy -0.169769 0.015227 0.184791 0.207853 0.258856 0.192914 7C 1f0 0.064429 0.025606 0.042800 0.047426 0.083303 0.062521 7C 1f+1 -0.075636 -0.020598 0.047397 0.091427 0.171845 0.049512 7C 1f-1 0.007767 -0.001810 0.014114 0.031737 0.029727 0.039873 7C 1f+2 -0.054257 -0.026938 -0.053587 -0.080967 -0.143830 -0.077009 7C 1f-2 -0.069465 -0.015284 -0.013424 0.013100 -0.058689 0.046904 7C 1f+3 -0.092132 -0.032698 -0.014088 -0.002347 0.037981 -0.096062 7C 1f-3 -0.038393 -0.012958 0.047079 0.077836 0.055105 0.167376 8C 1s 0.000308 0.000206 0.001438 -0.002799 -0.002675 0.003391 8C 2s 0.000632 0.000422 -0.000635 0.000102 -0.001749 0.001748 8C 3s -0.013382 -0.012421 0.164122 -0.280100 -0.152498 0.203974 8C 4s 0.053395 0.042433 -1.010551 1.628056 1.012588 -1.290756 8C 5s -0.051220 -0.164904 0.255607 -0.500602 -0.158149 0.392352 8C 1pz 0.004159 0.000922 -0.012317 0.015926 0.005958 -0.007644 8C 1px -0.006936 -0.003298 -0.009514 0.014680 0.005819 -0.007611 8C 1py -0.000618 -0.001235 0.024329 -0.034064 -0.014443 0.015201 8C 2pz -0.038425 -0.000792 0.399059 -0.556823 -0.372395 0.430761 8C 2px 0.059408 0.008091 0.254192 -0.394866 -0.243016 0.314771 8C 2py 0.015758 0.015351 -0.667259 0.973006 0.633761 -0.743173 8C 3pz -0.006238 0.015401 0.034699 -0.084952 -0.016121 0.053666 8C 3px 0.031502 0.005205 -0.033691 0.055585 0.003742 -0.013122 8C 3py 0.020035 -0.022311 0.032736 -0.007159 0.039896 0.012127 8C 1dz2 0.003127 0.000323 0.003437 -0.008162 -0.007112 0.008148 8C 1dxz -0.006762 0.001262 -0.008432 0.015532 0.008769 -0.015160 8C 1dyz -0.006591 -0.000450 0.017556 -0.032586 -0.024338 0.030448 8C 1dx2y2 -0.006897 -0.000651 0.019390 -0.028051 -0.024057 0.022959 8C 1dxy 0.012477 0.001127 0.013745 -0.028043 -0.019298 0.025598 8C 2dz2 0.029339 0.001465 0.041113 -0.060519 -0.048156 0.036082 8C 2dxz -0.044622 -0.010344 -0.060173 0.095692 0.050595 -0.080617 8C 2dyz -0.034000 -0.015980 0.225333 -0.336407 -0.196133 0.266829 8C 2dx2y2 -0.045062 -0.008155 0.141982 -0.202273 -0.156049 0.132205 8C 2dxy 0.054985 0.012546 0.119800 -0.177889 -0.119059 0.134075 8C 1f0 -0.004300 -0.002031 -0.017918 0.024796 0.019976 -0.012286 8C 1f+1 -0.006676 -0.002300 0.001898 -0.009427 0.004535 0.017578 8C 1f-1 0.013386 0.004207 -0.004142 0.001599 -0.004101 -0.005258 8C 1f+2 0.027683 0.010726 -0.015840 0.035754 0.012463 -0.030270 8C 1f-2 -0.013758 -0.001442 -0.015933 0.044712 0.019452 -0.039755 8C 1f+3 0.026474 0.007959 0.017636 -0.043267 -0.024566 0.037084 8C 1f-3 0.037087 0.012128 -0.015048 0.024388 0.027582 -0.011577 9C 1s 0.000335 0.000304 0.002037 0.002426 0.003384 0.002664 9C 2s 0.000767 0.000602 -0.000612 0.000032 0.001772 0.001697 9C 3s -0.026318 -0.015363 0.221125 0.237077 0.206139 0.151717 9C 4s 0.085636 0.053912 -1.339913 -1.366509 -1.308255 -1.003568 9C 5s -0.460162 -0.198247 0.354628 0.444139 0.410947 0.175777 9C 1pz 0.003586 0.001506 -0.030306 -0.026708 -0.015148 -0.013487 9C 1px -0.011906 -0.003201 -0.009368 -0.008352 -0.005456 -0.005131 9C 1py -0.005011 -0.000274 -0.019129 -0.017204 -0.010686 -0.007587 9C 2pz -0.056271 -0.015738 0.854424 0.797349 0.756430 0.621382 9C 2px 0.099494 0.002290 0.195445 0.183608 0.189863 0.151802 9C 2py 0.037631 -0.001696 0.580835 0.541058 0.524284 0.420407 9C 3pz 0.068800 0.023921 -0.007095 0.025506 -0.002519 0.043120 9C 3px 0.023711 0.005293 -0.087898 -0.084789 -0.048609 -0.011041 9C 3py 0.037253 0.016129 0.008753 0.020505 0.030023 0.003525 9C 1dz2 0.010296 0.000828 -0.018663 -0.023071 -0.022778 -0.018896 9C 1dxz -0.018301 -0.000873 -0.017737 -0.012873 -0.016014 -0.018398 9C 1dyz 0.003882 -0.000179 -0.029582 -0.035090 -0.038583 -0.029033 9C 1dx2y2 -0.000936 -0.001419 0.011926 0.011936 0.013088 0.008802 9C 1dxy -0.013515 -0.000607 -0.008469 -0.006738 -0.010437 -0.009108 9C 2dz2 0.058078 0.011761 -0.191353 -0.189423 -0.155675 -0.155358 9C 2dxz -0.105567 -0.020273 -0.063570 -0.044668 -0.032730 -0.067337 9C 2dyz 0.015417 0.012215 -0.317361 -0.304234 -0.296159 -0.220839 9C 2dx2y2 -0.003828 0.001672 0.074088 0.070013 0.074645 0.040473 9C 2dxy -0.053828 -0.008403 -0.060787 -0.044619 -0.056771 -0.038304 9C 1f0 -0.040854 -0.010375 0.004171 0.015740 0.002133 0.012608 9C 1f+1 0.030569 0.005093 0.022725 0.025039 0.023560 0.031312 9C 1f-1 -0.018531 -0.005095 0.036840 0.046248 0.039614 0.026724 9C 1f+2 0.027189 0.009650 -0.021481 -0.037114 -0.035490 -0.014586 9C 1f-2 0.046993 0.009387 0.020280 0.020177 0.023947 0.016562 9C 1f+3 0.028234 0.007755 0.011277 0.003309 0.000315 0.016275 9C 1f-3 -0.012063 -0.003613 0.008349 0.014403 0.022730 -0.000439 10H 1s -0.025869 0.010570 0.005847 0.013002 -0.012567 0.002893 10H 2s -0.005100 0.004375 -0.006331 0.036503 -0.037036 -0.010355 10H 3s 0.044733 -0.029491 -0.094949 -0.154403 0.101776 0.057189 10H 1pz 0.003543 -0.002506 -0.006183 -0.000445 -0.002351 0.006174 10H 1px 0.012459 -0.003832 0.002219 -0.012939 0.010372 0.000310 10H 1py 0.001014 -0.002160 -0.002429 -0.001849 0.000954 0.000327 11H 1s -0.002285 0.002879 -0.014959 -0.011395 0.011373 0.010043 11H 2s 0.043474 -0.021493 -0.007823 0.004178 0.027711 -0.017733 11H 3s 0.042068 -0.022793 0.026134 -0.021066 0.035438 0.022775 11H 1pz 0.004770 -0.001734 0.016778 0.019626 -0.011048 -0.017078 11H 1px 0.004561 -0.001227 -0.007512 -0.003877 0.005630 0.001876 11H 1py -0.005249 0.001335 0.018901 0.015253 -0.017309 -0.009947 12H 1s -0.005063 0.002630 -0.006414 -0.005657 -0.002674 0.012050 12H 2s 0.004812 -0.011722 -0.021902 -0.002358 0.008736 0.022097 12H 3s 0.068882 -0.024705 -0.008710 -0.056031 0.056076 0.023103 12H 1pz -0.005017 0.000780 0.016388 0.013474 -0.010356 -0.010665 12H 1px -0.000867 0.000287 -0.008275 -0.005335 0.006284 0.004785 12H 1py -0.003402 0.001890 -0.001287 0.004539 -0.005859 0.005627 13H 1s -0.016381 0.008789 0.004660 -0.010073 -0.003249 -0.013204 13H 2s -0.005990 0.003212 -0.019418 -0.028167 -0.000598 -0.030579 13H 3s 0.035067 -0.019566 -0.046411 0.158974 -0.043701 0.099245 13H 1pz -0.000399 -0.000684 -0.005098 -0.004341 -0.001765 -0.005584 13H 1px 0.009690 -0.002694 0.004736 0.007009 0.002014 0.007856 13H 1py -0.002870 0.002960 0.005073 -0.004009 0.006477 0.000037 14H 1s 0.005443 0.001316 -0.005827 0.002994 -0.013947 -0.006675 14H 2s 0.026404 -0.007159 -0.027618 0.003311 -0.017020 0.003715 14H 3s -0.005061 -0.019588 -0.008885 0.073018 -0.028243 0.065353 14H 1pz 0.002472 0.002504 0.000140 -0.007027 -0.002385 -0.008641 14H 1px 0.004759 0.002111 -0.011724 0.005534 -0.009697 0.002013 14H 1py 0.004772 -0.001842 -0.009589 0.009189 -0.007667 0.005196 15H 1s -0.005719 0.002246 -0.013282 0.017006 -0.013209 0.011136 15H 2s 0.003281 -0.016753 -0.002168 -0.006871 0.031035 0.019146 15H 3s 0.024364 -0.019350 0.029759 0.004927 -0.023519 0.036354 15H 1pz -0.000817 0.000867 0.018153 -0.022478 0.011898 -0.018687 15H 1px 0.001925 0.000213 0.002256 -0.005215 0.003981 -0.005014 15H 1py 0.001507 0.002093 -0.013070 0.023284 -0.019658 0.013404 16H 1s -0.004960 -0.000422 -0.105147 -0.012281 -0.011727 -0.007996 16H 2s 0.051060 0.059755 -0.188218 -0.013017 0.024364 -0.004743 16H 3s 0.057720 0.007506 0.048102 -0.028567 0.022409 0.022943 16H 1pz 0.015603 0.016713 -0.124535 -0.005697 -0.006827 -0.014765 16H 1px -0.048493 -0.000889 0.011706 -0.000304 0.001880 0.000424 16H 1py -0.023388 0.010100 -0.077885 -0.001010 -0.009260 -0.008107 17H 1s -0.014011 -0.001441 -0.099134 0.025996 -0.013022 0.002708 17H 2s -0.044351 0.061755 -0.178770 0.041603 0.024187 0.000829 17H 3s -0.039581 0.006187 0.056159 0.014462 0.016564 -0.019977 17H 1pz -0.003401 -0.009643 0.071681 -0.015604 0.000784 -0.005893 17H 1px 0.047845 -0.012804 0.080202 -0.015536 0.001857 -0.007614 17H 1py 0.013710 0.012508 -0.095306 0.018205 -0.009947 0.008851 18H 1s -0.014232 0.001461 -0.099381 0.024879 0.013228 -0.000861 18H 2s -0.040356 -0.061890 -0.179378 0.040769 -0.023423 -0.001030 18H 3s -0.040756 -0.006166 0.056276 0.014217 -0.015295 0.020167 18H 1pz 0.005042 -0.009948 -0.074297 0.015413 0.000934 -0.005455 18H 1px -0.047537 -0.012831 -0.080910 0.015018 0.001764 -0.007292 18H 1py -0.014654 0.012180 0.093275 -0.017165 -0.009882 0.008081 19H 1s -0.004858 0.000246 -0.105294 -0.013210 0.009984 0.009068 19H 2s 0.055206 -0.060197 -0.188371 -0.013614 -0.026445 0.004056 19H 3s 0.056446 -0.007426 0.048365 -0.027756 -0.023329 -0.022635 19H 1pz -0.017412 0.016849 0.123000 0.006802 -0.005498 -0.014854 19H 1px 0.047805 -0.001012 -0.012898 0.000198 0.001882 0.000478 19H 1py 0.022939 0.010377 0.080605 0.001625 -0.008370 -0.008560 20H 1s -0.005812 -0.002290 -0.013197 0.016525 0.013500 -0.011154 20H 2s 0.003362 0.017193 -0.002269 -0.005626 -0.030552 -0.019528 20H 3s 0.025492 0.019797 0.029622 0.004762 0.024165 -0.036149 20H 1pz 0.000777 0.000903 -0.018089 0.022153 0.012455 -0.018668 20H 1px -0.001902 0.000169 -0.002061 0.004912 0.003963 -0.004832 20H 1py -0.001534 0.002135 0.012972 -0.022661 -0.020095 0.013154 21H 1s 0.005208 -0.001407 -0.006045 0.002799 0.013993 0.006386 21H 2s 0.026635 0.007535 -0.027431 0.003068 0.017069 -0.004076 21H 3s -0.004275 0.020105 -0.007887 0.070913 0.030438 -0.064171 21H 1pz -0.002513 0.002467 -0.000117 0.007176 -0.002164 -0.008673 21H 1px -0.004689 0.002040 0.011666 -0.005343 -0.009706 0.002188 21H 1py -0.004736 -0.001788 0.009825 -0.009352 -0.008101 0.005463 22H 1s -0.016552 -0.008926 0.004620 -0.010383 0.002656 0.013065 22H 2s -0.006108 -0.003284 -0.019535 -0.028587 -0.001121 0.030618 22H 3s 0.035433 0.020046 -0.046419 0.158847 0.049015 -0.098850 22H 1pz 0.000432 -0.000653 0.005133 0.004355 -0.001398 -0.005375 22H 1px -0.009800 -0.002755 -0.004722 -0.007343 0.001530 0.007910 22H 1py 0.002767 0.002919 -0.005192 0.003839 0.006544 0.000056 23H 1s -0.005415 -0.002703 -0.006721 -0.005970 0.001798 -0.012068 23H 2s 0.005914 0.012520 -0.021105 -0.002208 -0.009223 -0.022449 23H 3s 0.069682 0.025192 -0.006274 -0.051872 -0.056426 -0.023548 23H 1pz 0.004900 0.000732 -0.016727 -0.013581 -0.011363 -0.011253 23H 1px 0.000700 0.000183 0.008047 0.005078 0.006562 0.004636 23H 1py 0.003246 0.001660 0.001044 -0.004467 -0.005864 0.005443 24H 1s -0.002313 -0.002948 -0.014582 -0.010712 -0.011846 -0.009741 24H 2s 0.044045 0.021631 -0.008304 0.004867 -0.027856 0.016685 24H 3s 0.042800 0.023429 0.025738 -0.020881 -0.035786 -0.023632 24H 1pz -0.004743 -0.001653 -0.016328 -0.018911 -0.011386 -0.017120 24H 1px -0.004757 -0.001238 0.007764 0.003842 0.006168 0.002155 24H 1py 0.005239 0.001277 -0.018478 -0.014388 -0.017659 -0.009991 25H 1s -0.026250 -0.010769 0.005848 0.012729 0.012697 -0.002193 25H 2s -0.005504 -0.004436 -0.006331 0.035509 0.038034 0.011405 25H 3s 0.045927 0.030154 -0.094490 -0.151659 -0.106543 -0.060217 25H 1pz -0.003339 -0.002465 0.006180 0.000400 -0.002210 0.006078 25H 1px -0.012649 -0.003921 -0.002152 0.012722 0.010595 0.000855 25H 1py -0.001199 -0.002233 0.002537 0.002150 0.001413 0.000340 26O 1s -0.000346 0.001591 -0.000093 0.001127 0.002408 0.001887 26O 2s -0.000287 0.005211 -0.000823 0.002126 0.009129 0.007205 26O 3s -0.020186 -0.065756 0.022294 0.017157 -0.162964 -0.128885 26O 4s 0.108505 0.239661 0.137669 0.020454 0.426732 0.325677 26O 5s 0.404331 -0.368354 -1.495418 -1.421845 0.860344 0.736094 26O 1pz 0.006207 -0.008283 0.021185 0.019269 -0.032620 -0.001143 26O 1px 0.012682 -0.002122 -0.050265 -0.049699 0.042858 0.053027 26O 1py 0.004415 -0.006714 -0.006117 -0.009978 0.030576 -0.021794 26O 2pz -0.091656 0.067588 -0.043134 -0.022776 0.064847 -0.044894 26O 2px -0.147477 -0.016415 0.289926 0.368746 -0.418528 -0.410152 26O 2py -0.098513 0.037733 0.085167 0.136389 -0.253875 -0.021942 26O 3pz 0.215143 -0.194333 -0.545571 -0.435363 0.143950 0.206687 26O 3px -0.310026 0.179854 0.213688 0.299770 -0.392108 -0.261315 26O 3py -0.040996 -0.053019 -0.251117 -0.160043 0.049315 -0.090772 26O 1dz2 -0.065555 0.071973 0.218074 0.183953 -0.159813 -0.211130 26O 1dxz 0.341964 -0.255274 -0.202392 -0.208773 0.253349 0.081004 26O 1dyz -0.099641 0.179326 0.355276 0.267658 -0.273464 -0.240177 26O 1dx2y2 -0.241947 0.198266 0.087892 0.073245 0.027635 -0.137840 26O 1dxy 0.018189 0.040415 0.036848 0.002028 -0.056852 0.088787 26O 2dz2 0.017485 -0.042447 -0.128821 -0.083019 0.025633 0.096712 26O 2dxz -0.181758 0.157116 0.185191 0.182602 -0.240518 -0.056325 26O 2dyz 0.094850 -0.134128 -0.282023 -0.214906 0.206303 0.185540 26O 2dx2y2 0.180178 -0.140543 -0.141599 -0.149902 0.074539 0.257063 26O 2dxy 0.051445 -0.047778 -0.078621 -0.076732 0.175772 -0.027621 26O 1f0 0.031860 -0.015845 0.027301 0.032439 -0.028698 -0.008433 26O 1f+1 0.016859 0.004751 -0.013789 -0.018755 0.058829 0.019443 26O 1f-1 0.057053 -0.036369 -0.026093 -0.033825 0.093184 0.028743 26O 1f+2 -0.045097 -0.003017 -0.043853 -0.035047 0.053813 -0.036438 26O 1f-2 -0.038707 0.034821 -0.003915 -0.026249 0.036360 0.007204 26O 1f+3 -0.011900 -0.011910 -0.047637 -0.046273 -0.007071 0.137268 26O 1f-3 0.053165 -0.035552 -0.031881 -0.019535 0.066163 0.023735 27O 1s -0.000088 0.001516 -0.000213 -0.000962 -0.001852 0.002365 27O 2s -0.000111 0.004925 -0.000937 -0.001555 -0.007040 0.008906 27O 3s -0.004712 -0.060912 0.016313 -0.023772 0.128142 -0.158393 27O 4s 0.028483 0.223750 0.119565 -0.053910 -0.343623 0.404423 27O 5s 0.096022 -0.376316 -1.165500 1.692140 -0.712347 0.882121 27O 1pz 0.003201 -0.006303 0.015049 -0.022856 0.042111 0.004052 27O 1px 0.004520 -0.004995 -0.038021 0.059642 -0.034123 0.055929 27O 1py 0.005572 0.009397 -0.008134 0.012703 0.009743 0.027906 27O 2pz -0.032648 0.048302 -0.045264 0.074299 -0.155528 -0.026504 27O 2px -0.057333 0.004400 0.213371 -0.435447 0.360905 -0.487278 27O 2py 0.027955 -0.067962 -0.004961 0.029938 -0.115775 -0.017984 27O 3pz 0.160394 -0.139274 -0.293909 0.381967 -0.038302 0.233728 27O 3px -0.124871 0.169660 0.105393 -0.261337 0.313828 -0.327870 27O 3py -0.054216 0.159275 0.396582 -0.462886 0.149344 -0.083560 27O 1dz2 0.042660 -0.122545 -0.097022 0.098516 -0.073855 0.053261 27O 1dxz 0.165993 -0.177660 -0.098442 0.133050 -0.198834 -0.002445 27O 1dyz 0.184869 -0.282435 -0.331320 0.428860 -0.241321 0.386596 27O 1dx2y2 -0.083482 0.060631 -0.065875 0.117911 -0.146831 0.062761 27O 1dxy -0.159724 0.123596 0.026805 -0.062977 -0.001669 -0.118721 27O 2dz2 -0.043686 0.098729 0.109147 -0.152059 0.128612 -0.129729 27O 2dxz -0.099010 0.111164 0.096894 -0.152724 0.238618 -0.006229 27O 2dyz -0.129901 0.197066 0.269650 -0.347366 0.173361 -0.312771 27O 2dx2y2 0.063385 -0.055640 0.002001 0.031472 0.009143 0.123196 27O 2dxy 0.066123 -0.059846 -0.011443 0.032967 0.056564 0.097234 27O 1f0 -0.018495 0.020945 0.030418 -0.066630 0.100263 -0.029125 27O 1f+1 0.020267 -0.029082 -0.021646 0.022519 -0.033141 0.038651 27O 1f-1 -0.005670 0.024353 0.009714 -0.003613 0.041264 0.012110 27O 1f+2 -0.023676 0.021236 -0.015142 0.031421 -0.050815 -0.043783 27O 1f-2 -0.002497 -0.030621 -0.024473 0.007014 0.043951 0.025561 27O 1f+3 0.009484 -0.014794 -0.021599 0.058113 -0.013724 0.124506 27O 1f-3 -0.051079 0.035218 -0.002622 0.033730 0.034990 0.027701 28O 1s -0.000051 -0.001282 -0.000021 0.001052 0.002307 0.001962 28O 2s -0.000411 -0.004179 -0.000685 0.001918 0.008699 0.007425 28O 3s 0.015544 0.051399 0.024340 0.018362 -0.158868 -0.135167 28O 4s -0.068778 -0.201145 0.116329 0.034244 0.427123 0.367499 28O 5s -0.171800 0.367899 -1.488551 -1.410683 0.871633 0.707398 28O 1pz -0.003363 0.011235 -0.017286 -0.016741 0.001048 0.031269 28O 1px 0.004702 -0.001405 0.050135 0.049557 -0.058528 -0.030299 28O 1py 0.005753 0.005311 0.007871 0.010342 0.014811 -0.034207 28O 2pz 0.104029 -0.065213 0.162957 0.208590 -0.214434 -0.298773 28O 2px -0.045880 -0.022133 -0.262797 -0.318507 0.425755 0.281597 28O 2py 0.025367 -0.044162 0.001650 0.000524 -0.111940 0.087706 28O 3pz -0.042115 0.046026 -0.317497 -0.183585 -0.145920 -0.035536 28O 3px -0.294430 0.233639 -0.389237 -0.398248 0.352777 0.352187 28O 3py -0.068696 0.120209 -0.360658 -0.271535 0.153353 -0.006044 28O 1dz2 -0.157087 0.085415 0.011569 0.005139 0.098725 -0.079491 28O 1dxz 0.056812 -0.012277 0.094868 0.113980 -0.136488 -0.088353 28O 1dyz 0.089100 -0.175425 0.307243 0.247480 -0.300340 -0.111645 28O 1dx2y2 0.282839 -0.210912 0.121919 0.085875 -0.089500 -0.076095 28O 1dxy 0.294758 -0.254490 0.264971 0.238360 -0.153472 -0.282956 28O 2dz2 0.066195 -0.040559 -0.010489 0.003009 -0.114006 0.101384 28O 2dxz 0.002972 -0.019896 -0.002120 0.011736 -0.030158 -0.062522 28O 2dyz -0.091884 0.132916 -0.257343 -0.204512 0.269191 0.067831 28O 2dx2y2 -0.189979 0.150445 -0.153917 -0.153045 0.184929 0.138265 28O 2dxy -0.174602 0.165714 -0.213330 -0.196367 0.080084 0.252740 28O 1f0 0.010073 -0.007441 -0.010540 -0.024632 0.073665 -0.035226 28O 1f+1 -0.051309 0.035216 0.005793 0.026852 -0.029532 0.060048 28O 1f-1 -0.012573 -0.006547 0.007036 -0.021930 0.025549 0.043105 28O 1f+2 0.046996 -0.036579 0.036143 0.044755 -0.059138 -0.077731 28O 1f-2 -0.053104 0.047552 -0.017325 0.005829 0.083599 -0.033972 28O 1f+3 -0.009698 -0.008198 0.031809 0.038317 -0.033242 -0.023129 28O 1f-3 -0.012316 -0.020693 0.036531 0.039507 0.011989 -0.056841 29O 1s 0.000287 -0.001567 0.004841 -0.000423 0.000773 0.000070 29O 2s 0.000966 -0.004778 0.015714 -0.001330 0.002308 0.000251 29O 3s -0.012833 0.056123 -0.219655 0.018121 -0.028337 -0.003664 29O 4s 0.030361 -0.092748 0.496542 -0.040967 0.074443 0.009289 29O 5s -0.022870 -0.030931 -0.029948 0.006564 -0.105984 -0.003908 29O 1pz -0.000164 0.005485 0.005289 0.004150 0.002053 0.008872 29O 1px -0.003507 -0.016034 -0.003545 0.001342 -0.001905 0.002274 29O 1py 0.002212 -0.003612 0.033527 -0.002744 0.006240 -0.000468 29O 2pz 0.005662 -0.010494 -0.056594 -0.025668 -0.010878 -0.045078 29O 2px 0.015392 0.033255 0.094344 -0.017728 0.009765 -0.013566 29O 2py -0.011779 0.023631 -0.190691 0.016983 -0.026550 0.002086 29O 3pz 0.114199 -0.003334 -0.013606 -0.029698 0.027896 0.084259 29O 3px 0.034284 0.024758 0.018453 -0.010445 -0.010511 0.034910 29O 3py 0.005356 0.040924 0.005046 0.001944 0.094702 -0.015169 29O 1dz2 -0.088109 -0.015720 -0.026351 -0.014281 0.002426 -0.016332 29O 1dxz 0.164633 -0.049951 0.040892 0.012557 0.017223 0.023977 29O 1dyz 0.137543 -0.011527 0.008170 -0.010849 -0.006318 0.027901 29O 1dx2y2 0.068211 0.098101 -0.145942 0.026883 -0.021718 0.019092 29O 1dxy 0.055882 0.019020 0.000029 -0.003912 0.032522 0.005705 29O 2dz2 0.064284 0.010762 0.088759 0.015374 0.004165 0.020429 29O 2dxz -0.119594 0.041348 0.013176 -0.022172 -0.010414 -0.025029 29O 2dyz -0.116417 0.009205 0.004190 0.023023 0.006328 -0.012668 29O 2dx2y2 -0.051524 -0.085586 0.108139 -0.023406 0.017059 -0.017552 29O 2dxy -0.049734 -0.011975 -0.053555 0.013898 -0.029433 -0.000979 29O 1f0 -0.018916 0.010280 -0.104159 0.004418 -0.007530 -0.001289 29O 1f+1 0.022646 -0.005905 0.048530 -0.003940 0.004170 0.000810 29O 1f-1 -0.006890 0.007462 -0.088813 -0.006978 -0.005635 -0.003676 29O 1f+2 -0.028622 -0.006385 0.059390 -0.003281 0.002899 0.000505 29O 1f-2 0.010448 0.002439 -0.048178 0.022535 -0.004305 0.000611 29O 1f+3 0.017939 -0.006033 0.046186 -0.008795 -0.000908 0.000147 29O 1f-3 -0.008070 -0.005164 0.042098 -0.013602 0.005122 -0.001088 30O 1s 0.000134 -0.001428 -0.000313 -0.001051 -0.002185 0.002275 30O 2s -0.000067 -0.004705 -0.001178 -0.001831 -0.008040 0.008712 30O 3s 0.016909 0.059431 0.017902 -0.022287 0.138427 -0.160222 30O 4s -0.080354 -0.226980 0.126792 -0.052739 -0.352604 0.432167 30O 5s -0.304925 0.371781 -1.147564 1.707673 -0.687229 0.883143 30O 1pz -0.009626 0.005182 -0.008343 0.018365 0.012813 0.040236 30O 1px 0.005110 0.000160 0.038829 -0.059329 0.048919 -0.045981 30O 1py 0.002871 -0.009410 0.006340 -0.012230 0.025427 0.006362 30O 2pz 0.094376 -0.028805 0.074643 -0.191936 0.072562 -0.316401 30O 2px -0.053580 -0.038748 -0.180268 0.350256 -0.326111 0.353353 30O 2py -0.090855 0.058587 -0.076830 0.189070 -0.240301 0.157444 30O 3pz -0.027237 0.014658 -0.172996 0.115790 0.159903 -0.027691 30O 3px -0.273038 0.251349 -0.347499 0.554747 -0.295599 0.408895 30O 3py -0.036064 -0.084841 0.320513 -0.309177 0.036308 0.085830 30O 1dz2 -0.136884 0.225758 -0.180393 0.232191 -0.260988 0.079784 30O 1dxz 0.003049 0.030932 0.058685 -0.075437 0.099593 -0.021313 30O 1dyz -0.063638 0.160092 -0.225084 0.239808 -0.125567 0.206124 30O 1dx2y2 0.250541 -0.228757 0.061550 -0.111156 0.024964 -0.132113 30O 1dxy -0.102693 0.144643 -0.196186 0.276483 -0.149393 0.295912 30O 2dz2 0.095364 -0.156347 0.168777 -0.225022 0.280837 -0.061616 30O 2dxz 0.019390 -0.033419 -0.012500 -0.027453 -0.011869 -0.119047 30O 2dyz 0.083835 -0.132022 0.200110 -0.247071 0.136927 -0.237283 30O 2dx2y2 -0.149364 0.146328 -0.079347 0.145943 -0.068687 0.179348 30O 2dxy 0.029511 -0.080435 0.123226 -0.138698 0.004300 -0.148252 30O 1f0 -0.004592 0.014873 -0.023112 0.014549 -0.028843 -0.009721 30O 1f+1 0.006519 -0.019672 0.036211 -0.042296 0.077324 0.028951 30O 1f-1 -0.015018 0.015829 0.003097 -0.009563 0.072120 0.058594 30O 1f+2 -0.001238 -0.002403 0.019319 -0.054574 0.037678 -0.083801 30O 1f-2 0.049672 -0.060365 0.024679 -0.028488 0.055118 -0.074888 30O 1f+3 -0.051315 0.015580 0.025216 -0.038209 -0.026964 -0.030860 30O 1f-3 0.011632 0.008233 0.006488 -0.020482 0.040267 -0.024501 31O 1s 0.000123 0.001434 -0.000314 -0.001106 0.002148 -0.002290 31O 2s -0.000111 0.004726 -0.001181 -0.002029 0.007970 -0.008752 31O 3s 0.017545 -0.059801 0.017905 -0.018881 -0.138960 0.160455 31O 4s -0.081862 0.228360 0.126911 -0.061345 0.351981 -0.431962 31O 5s -0.306869 -0.371121 -1.148308 1.688720 0.734409 -0.883659 31O 1pz 0.009724 0.005225 0.008145 -0.018964 0.012300 0.040401 31O 1px -0.005277 0.000174 -0.038837 0.057964 0.050405 -0.045969 31O 1py -0.002991 -0.009402 -0.006611 0.011423 0.025703 0.006360 31O 2pz -0.094772 -0.028620 -0.073709 0.191237 0.078227 -0.316622 31O 2px 0.054391 -0.039213 0.180068 -0.341553 -0.335575 0.352598 31O 2py 0.091325 0.058267 0.077748 -0.182396 -0.245603 0.157037 31O 3pz 0.025219 0.015372 0.171201 -0.120721 0.157890 -0.028301 31O 3px 0.273850 0.250601 0.347851 -0.546917 -0.311350 0.408998 31O 3py 0.036813 -0.086045 -0.320073 0.307935 0.043472 0.085500 31O 1dz2 -0.137261 -0.225607 -0.181171 0.224878 0.266829 -0.079452 31O 1dxz 0.002040 -0.031442 0.058621 -0.072669 -0.101574 0.020098 31O 1dyz -0.063435 -0.160095 -0.224297 0.237107 0.131258 -0.206093 31O 1dx2y2 0.249532 0.228468 0.060881 -0.110683 -0.027873 0.132178 31O 1dxy -0.103072 -0.144529 -0.194725 0.273554 0.157005 -0.295770 31O 2dz2 0.095650 0.156168 0.169733 -0.216929 -0.286448 0.060909 31O 2dxz 0.020367 0.033630 -0.012709 -0.028231 0.010883 0.119902 31O 2dyz 0.083960 0.131915 0.199478 -0.244107 -0.143103 0.237430 31O 2dx2y2 -0.148653 -0.146049 -0.078539 0.144387 0.072606 -0.178963 31O 2dxy 0.029580 0.080553 0.121797 -0.139522 -0.008127 0.148495 31O 1f0 0.004916 0.014890 0.023442 -0.013533 -0.029051 -0.009633 31O 1f+1 -0.006279 -0.019610 -0.036651 0.039859 0.078283 0.029482 31O 1f-1 0.015217 0.015903 -0.003776 0.007020 0.072237 0.059183 31O 1f+2 0.001228 -0.002419 -0.018962 0.053875 0.039308 -0.083419 31O 1f-2 -0.050017 -0.060282 -0.024775 0.027190 0.055774 -0.075175 31O 1f+3 0.051576 0.015568 -0.024660 0.039099 -0.025880 -0.030577 31O 1f-3 -0.011700 0.008315 -0.006616 0.019322 0.040770 -0.024154 32O 1s 0.000302 0.001568 0.004853 -0.000383 -0.000742 -0.000100 32O 2s 0.000996 0.004785 0.015753 -0.001196 -0.002208 -0.000358 32O 3s -0.012725 -0.056250 -0.220201 0.016199 0.026961 0.005120 32O 4s 0.030957 0.093025 0.497920 -0.036128 -0.071198 -0.012638 32O 5s -0.032445 0.031269 -0.030467 0.004104 0.104748 0.005431 32O 1pz 0.000346 0.005472 -0.004527 -0.004410 0.001696 0.008882 32O 1px 0.003356 -0.016006 0.003865 -0.001176 -0.001912 0.001811 32O 1py -0.002051 -0.003683 -0.033734 0.002304 0.006072 -0.000081 32O 2pz -0.006963 -0.010644 0.051904 0.027069 -0.008915 -0.044810 32O 2px -0.013613 0.033049 -0.096338 0.016812 0.009666 -0.012116 32O 2py 0.009951 0.023947 0.191783 -0.014398 -0.025635 0.000151 32O 3pz -0.113458 -0.003884 0.013126 0.028360 0.029037 0.084106 32O 3px -0.037062 0.024617 -0.018609 0.009425 -0.010449 0.035210 32O 3py -0.009381 0.040976 -0.005161 -0.003208 0.094402 -0.013793 32O 1dz2 -0.094745 0.016025 -0.026174 -0.013320 -0.003492 0.018133 32O 1dxz 0.160331 0.049477 0.040567 0.013220 -0.016153 -0.021822 32O 1dyz 0.139072 0.009916 0.004291 -0.011059 0.005156 -0.027915 32O 1dx2y2 0.068414 -0.098227 -0.146018 0.027855 0.021875 -0.020114 32O 1dxy 0.057089 -0.019250 -0.001364 -0.001324 -0.032758 -0.006784 32O 2dz2 0.069300 -0.010887 0.088669 0.014472 -0.002501 -0.021602 32O 2dxz -0.116361 -0.040949 0.014118 -0.022743 0.009455 0.023123 32O 2dyz -0.117791 -0.007581 0.009818 0.023384 -0.004960 0.012667 32O 2dx2y2 -0.051076 0.085697 0.108500 -0.024686 -0.017355 0.018559 32O 2dxy -0.050012 0.012258 -0.051728 0.010991 0.029504 0.002475 32O 1f0 0.017619 0.009714 0.098663 -0.003987 -0.006336 -0.001644 32O 1f+1 -0.021995 -0.006250 -0.052588 0.004304 0.004230 0.001039 32O 1f-1 0.008716 0.007943 0.092357 0.007363 -0.004751 -0.004542 32O 1f+2 0.029842 -0.006902 -0.063966 0.003348 0.002919 0.000697 32O 1f-2 -0.010281 0.002202 0.046382 -0.022010 -0.004590 -0.000324 32O 1f+3 -0.017563 -0.005909 -0.044296 0.007888 -0.001128 0.000185 32O 1f-3 0.006997 -0.005055 -0.041259 0.013305 0.005197 -0.000792 33O 1s -0.000062 0.001282 -0.000001 0.001140 -0.002272 -0.001958 33O 2s -0.000448 0.004181 -0.000608 0.002247 -0.008636 -0.007428 33O 3s 0.016078 -0.051420 0.022892 0.012395 0.159455 0.135670 33O 4s -0.070021 0.201410 0.119603 0.050291 -0.425271 -0.366636 33O 5s -0.175760 -0.368331 -1.477405 -1.378813 -0.923160 -0.729553 33O 1pz 0.003271 0.011318 0.016868 0.016387 0.001717 0.031485 33O 1px -0.004751 -0.001457 -0.049530 -0.047530 -0.060247 -0.031132 33O 1py -0.005869 0.005362 -0.007498 -0.010363 0.014471 -0.034308 33O 2pz -0.104239 -0.065528 -0.159173 -0.199317 -0.221582 -0.301310 33O 2px 0.046654 -0.022002 0.258635 0.303298 0.436600 0.286488 33O 2py -0.025273 -0.044471 -0.002601 0.001391 -0.112234 0.087322 33O 3pz 0.042426 0.046503 0.318188 0.188252 -0.138515 -0.031258 33O 3px 0.296757 0.233710 0.385489 0.385181 0.366908 0.358222 33O 3py 0.069304 0.121001 0.358679 0.265586 0.163040 -0.002076 33O 1dz2 -0.157074 -0.085729 0.010497 0.006813 -0.098343 0.079753 33O 1dxz 0.057475 0.012015 0.094169 0.109466 0.140288 0.089812 33O 1dyz 0.089391 0.175779 0.304977 0.238141 0.308630 0.116131 33O 1dx2y2 0.283886 0.211310 0.120933 0.083060 0.092410 0.077598 33O 1dxy 0.295196 0.254827 0.260547 0.230231 0.161861 0.286382 33O 2dz2 0.066135 0.040745 -0.009300 0.001121 0.113928 -0.101302 33O 2dxz 0.002809 0.020196 -0.003311 0.009945 0.030468 0.062771 33O 2dyz -0.092404 -0.133305 -0.255951 -0.196714 -0.276114 -0.071915 33O 2dx2y2 -0.190832 -0.150689 -0.151998 -0.146687 -0.189997 -0.140794 33O 2dxy -0.174700 -0.165795 -0.209367 -0.190485 -0.086809 -0.255303 33O 1f0 -0.009958 -0.007354 0.010586 0.022689 0.074165 -0.034809 33O 1f+1 0.051208 0.035405 -0.006525 -0.026707 -0.030295 0.059734 33O 1f-1 0.012510 -0.006609 -0.007586 0.020696 0.026400 0.042821 33O 1f+2 -0.047200 -0.036694 -0.035017 -0.042252 -0.060515 -0.078574 33O 1f-2 0.053261 0.047876 0.017829 -0.007431 0.083386 -0.033563 33O 1f+3 0.009513 -0.008179 -0.031417 -0.037147 -0.034424 -0.023940 33O 1f-3 0.012600 -0.020535 -0.035553 -0.038936 0.010685 -0.057204 34O 1s -0.000072 -0.001521 -0.000209 -0.001003 0.001819 -0.002377 34O 2s -0.000057 -0.004941 -0.000923 -0.001712 0.006980 -0.008933 34O 3s -0.005468 0.061150 0.016144 -0.020834 -0.128720 0.158355 34O 4s 0.030474 -0.224530 0.119462 -0.061528 0.342678 -0.403116 34O 5s 0.099204 0.375840 -1.165365 1.673002 0.759950 -0.882270 34O 1pz -0.003195 -0.006369 -0.015347 0.021585 0.042709 0.004100 34O 1px -0.004552 -0.005016 0.037710 -0.058784 -0.035775 0.055923 34O 1py -0.005714 0.009458 0.007976 -0.013137 0.009479 0.028013 34O 2pz 0.032610 0.048536 0.046531 -0.069669 -0.157543 -0.026582 34O 2px 0.058144 0.004157 -0.212312 0.426705 0.373266 -0.486111 34O 2py -0.027616 -0.068085 0.005562 -0.026344 -0.117067 -0.018669 34O 3pz -0.160587 -0.139292 0.292999 -0.382256 -0.048810 0.234236 34O 3px 0.127149 0.168781 -0.106104 0.253423 0.321993 -0.326493 34O 3py 0.053123 0.159599 -0.396470 0.458399 0.161115 -0.084459 34O 1dz2 0.042126 0.122440 -0.096613 0.096197 0.076200 -0.053375 34O 1dxz 0.165727 0.177459 -0.099568 0.127447 0.202414 0.003233 34O 1dyz 0.184783 0.282048 -0.330002 0.423970 0.252336 -0.386788 34O 1dx2y2 -0.083805 -0.060932 -0.066676 0.114010 0.149837 -0.062518 34O 1dxy -0.159531 -0.123204 0.026065 -0.063288 0.000276 0.118367 34O 2dz2 -0.043550 -0.098600 0.108676 -0.148481 -0.132510 0.129556 34O 2dxz -0.098693 -0.110947 0.098325 -0.146011 -0.242837 0.005587 34O 2dyz -0.129934 -0.196777 0.268467 -0.344008 -0.182223 0.312990 34O 2dx2y2 0.063925 0.055744 0.003043 0.032098 -0.008035 -0.123072 34O 2dxy 0.065842 0.059594 -0.010554 0.034827 -0.056086 -0.097310 34O 1f0 0.018300 0.020837 -0.030842 0.063861 0.102120 -0.028906 34O 1f+1 -0.020351 -0.029077 0.021423 -0.021512 -0.033584 0.038777 34O 1f-1 0.005594 0.024354 -0.009989 0.002337 0.041352 0.012196 34O 1f+2 0.023679 0.021273 0.015843 -0.029699 -0.051666 -0.043805 34O 1f-2 0.002440 -0.030628 0.023955 -0.008418 0.043971 0.025816 34O 1f+3 -0.009794 -0.014766 0.020824 -0.058221 -0.015298 0.124727 34O 1f-3 0.051124 0.035265 0.002356 -0.034778 0.034168 0.027727 35O 1s -0.000329 -0.001598 -0.000070 0.001216 -0.002370 -0.001888 35O 2s -0.000220 -0.005234 -0.000735 0.002467 -0.009057 -0.007224 35O 3s -0.021248 0.066080 0.020606 0.011050 0.163429 0.129561 35O 4s 0.111714 -0.240652 0.142180 0.036216 -0.425200 -0.325275 35O 5s 0.405726 0.368545 -1.484945 -1.387872 -0.911387 -0.758515 35O 1pz -0.006255 -0.008349 -0.020993 -0.018348 -0.033334 -0.001365 35O 1px -0.012821 -0.002133 0.049665 0.047836 0.044530 0.053960 35O 1py -0.004539 -0.006737 0.006194 0.009215 0.030812 -0.021752 35O 2pz 0.091791 0.067872 0.043161 0.021602 0.065952 -0.044786 35O 2px 0.148746 -0.016666 -0.284535 -0.352125 -0.430823 -0.415900 35O 2py 0.099511 0.037856 -0.083868 -0.128468 -0.258172 -0.023540 35O 3pz -0.215092 -0.194965 0.542901 0.429976 0.160588 0.213955 35O 3px 0.312788 0.179785 -0.210411 -0.284902 -0.401922 -0.266148 35O 3py 0.041059 -0.053828 0.250548 0.159270 0.055604 -0.087379 35O 1dz2 -0.064657 -0.071495 0.215146 0.177400 0.166278 0.213524 35O 1dxz 0.342261 0.255660 -0.200595 -0.201008 -0.260750 -0.083793 35O 1dyz -0.100447 -0.179666 0.352212 0.257614 0.283326 0.245758 35O 1dx2y2 -0.242103 -0.198768 0.086425 0.072036 -0.025302 0.140030 35O 1dxy 0.018665 -0.040472 0.037906 0.001473 0.056239 -0.088955 35O 2dz2 0.016565 0.042173 -0.127467 -0.081472 -0.028703 -0.097776 35O 2dxz -0.181756 -0.157297 0.183740 0.175682 0.247208 0.058491 35O 2dyz 0.095633 0.134421 -0.279651 -0.207182 -0.214042 -0.190227 35O 2dx2y2 0.180359 0.140692 -0.138777 -0.144577 -0.079505 -0.260353 35O 2dxy 0.051808 0.047841 -0.078563 -0.071962 -0.177631 0.026741 35O 1f0 -0.031981 -0.015917 -0.027107 -0.031838 -0.030022 -0.008526 35O 1f+1 -0.017209 0.004748 0.013510 0.016782 0.059352 0.019720 35O 1f-1 -0.057233 -0.036466 0.025566 0.030888 0.094356 0.029018 35O 1f+2 0.045309 -0.002983 0.043881 0.033895 0.054913 -0.036305 35O 1f-2 0.038992 0.034920 0.003741 0.025399 0.037486 0.006906 35O 1f+3 0.012264 -0.011758 0.046389 0.045108 -0.005267 0.138533 35O 1f-3 -0.053675 -0.035616 0.031647 0.017352 0.066653 0.024386 708 709 710 711 712 713 6.77707 6.78160 6.78193 6.78480 6.78988 6.79044 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s -0.002275 -0.000159 0.000451 -0.000109 -0.000531 0.000003 0Rh 2s 0.021538 0.001318 -0.003918 0.001357 0.005083 -0.000328 0Rh 3s -0.001229 -0.000195 0.000450 0.000131 -0.000253 -0.000173 0Rh 4s -0.138258 -0.008588 0.025370 -0.008512 -0.032626 0.001988 0Rh 5s 0.408895 0.025500 -0.074856 0.025302 0.096765 -0.006877 0Rh 6s -0.571603 -0.036029 0.103209 -0.036142 -0.136415 0.015317 0Rh 7s 1.203303 0.087573 -0.203642 0.076354 0.289033 -0.080049 0Rh 8s 0.083652 -0.009302 -0.042728 -0.041087 0.041348 0.041705 0Rh 1pz 0.004194 0.001379 -0.011479 0.025718 -0.000554 0.004077 0Rh 1px -0.011733 0.000207 -0.005455 0.004904 -0.000758 0.007322 0Rh 1py 0.004707 -0.001627 0.022810 0.009985 -0.011167 -0.020645 0Rh 2pz -0.017804 -0.005869 0.048804 -0.109335 0.002392 -0.017316 0Rh 2px 0.049751 -0.000881 0.023203 -0.020893 0.003212 -0.031091 0Rh 2py -0.019996 0.006937 -0.096992 -0.042441 0.047490 0.087694 0Rh 3pz 0.062941 0.021092 -0.174599 0.391159 -0.009304 0.061276 0Rh 3px -0.174775 0.003197 -0.083378 0.075803 -0.011063 0.110103 0Rh 3py 0.071381 -0.025300 0.347371 0.151680 -0.170235 -0.310866 0Rh 4pz -0.092456 -0.032518 0.266050 -0.596568 0.016501 -0.089397 0Rh 4px 0.253470 -0.005123 0.128659 -0.119447 0.014670 -0.162286 0Rh 4py -0.109242 0.040756 -0.530650 -0.230890 0.260944 0.457262 0Rh 5pz 0.064778 0.025836 -0.204975 0.458851 -0.017820 0.054562 0Rh 5px -0.169043 0.004875 -0.101053 0.099826 -0.007313 0.107637 0Rh 5py 0.086995 -0.037593 0.408909 0.176715 -0.204330 -0.295654 0Rh 6pz -0.110313 0.003006 0.092005 -0.075359 0.050979 0.051828 0Rh 6px 0.189378 0.004300 -0.041787 -0.010063 0.078490 0.022621 0Rh 6py -0.022178 0.030849 -0.075017 -0.012434 0.030604 -0.092259 0Rh 1dz2 0.003616 -0.000442 -0.003728 0.004698 -0.001319 -0.005652 0Rh 1dxz 0.004391 -0.000362 0.000968 -0.008826 0.000396 -0.001863 0Rh 1dyz 0.002826 0.000223 -0.000719 -0.001767 -0.010125 0.002653 0Rh 1dx2y2 -0.004700 -0.001129 0.004640 -0.001826 -0.004594 -0.003617 0Rh 1dxy -0.003330 0.001414 -0.008588 -0.004106 0.000297 -0.002064 0Rh 2dz2 -0.003857 -0.000194 0.003434 -0.002459 0.003350 0.001818 0Rh 2dxz -0.004111 0.000045 -0.000500 0.004667 -0.000977 0.000624 0Rh 2dyz -0.003073 -0.000441 0.003359 0.001879 0.012249 -0.000083 0Rh 2dx2y2 0.005077 0.000537 -0.002437 0.001545 0.004366 0.000890 0Rh 2dxy 0.002436 -0.000841 0.005882 0.002783 0.002800 0.000485 0Rh 3dz2 -0.000753 0.003683 0.003836 -0.014942 -0.010070 0.024019 0Rh 3dxz -0.003973 0.001927 -0.003141 0.027921 0.002930 0.007778 0Rh 3dyz -0.000351 0.001062 -0.013787 0.000503 -0.005179 -0.015421 0Rh 3dx2y2 0.000447 0.003857 -0.014630 0.002618 0.004002 0.016692 0Rh 3dxy 0.006735 -0.003974 0.019910 0.009663 -0.016904 0.009848 0Rh 4dz2 -0.019797 -0.011911 0.006628 0.032865 0.047948 -0.061133 0Rh 4dxz -0.012086 -0.005540 0.007227 -0.061976 -0.014810 -0.019367 0Rh 4dyz -0.015622 -0.005914 0.060403 0.008173 0.080560 0.045142 0Rh 4dx2y2 0.029660 -0.008573 0.031601 0.000541 0.011185 -0.042876 0Rh 4dxy -0.006431 0.007951 -0.030629 -0.014855 0.067087 -0.027746 0Rh 5dz2 0.159907 0.032821 -0.100662 -0.036452 -0.199645 0.087525 0Rh 5dxz 0.149782 0.012697 -0.009000 0.076632 0.073323 0.023450 0Rh 5dyz 0.115628 0.028048 -0.249015 -0.064754 -0.494096 -0.098742 0Rh 5dx2y2 -0.237877 0.005010 -0.029843 -0.042042 -0.132790 0.064646 0Rh 5dxy -0.052330 -0.004958 -0.042555 -0.025016 -0.249706 0.057244 0Rh 1f0 0.007838 -0.000450 0.005601 0.000823 -0.008371 -0.017295 0Rh 1f+1 -0.006088 0.000068 0.002890 0.008021 0.005501 0.001347 0Rh 1f-1 0.003641 0.000994 0.000972 0.015893 -0.015547 -0.009071 0Rh 1f+2 -0.005744 -0.000554 0.009341 -0.016780 -0.007476 -0.010246 0Rh 1f-2 -0.003585 -0.002137 0.021925 0.005622 0.012961 -0.014494 0Rh 1f+3 -0.009269 0.000589 -0.011220 0.003993 -0.000984 0.004648 0Rh 1f-3 -0.002371 -0.000648 0.003069 0.000017 -0.015822 -0.005072 1Rh 1s 0.002273 -0.000028 -0.000484 0.000107 0.000524 0.000063 1Rh 2s -0.021516 0.000198 0.004206 -0.001343 -0.004998 -0.000897 1Rh 3s 0.001231 -0.000055 -0.000486 -0.000137 0.000261 -0.000143 1Rh 4s 0.138116 -0.001329 -0.027248 0.008422 0.032083 0.005645 1Rh 5s -0.408459 0.004080 0.080495 -0.025053 -0.095056 -0.017718 1Rh 6s 0.570879 -0.006476 -0.111519 0.035886 0.133461 0.030582 1Rh 7s -1.201301 0.028484 0.227280 -0.075777 -0.276356 -0.111923 1Rh 8s -0.083684 -0.022497 0.035968 0.040250 -0.047704 0.035410 1Rh 1pz 0.004084 0.001121 -0.011697 0.025780 0.000417 -0.004318 1Rh 1px -0.011786 0.001196 -0.005344 0.004836 0.000137 -0.007354 1Rh 1py 0.004925 -0.005305 0.022348 0.010183 -0.013174 0.018956 1Rh 2pz -0.017339 -0.004762 0.049731 -0.109599 -0.001731 0.018344 1Rh 2px 0.049977 -0.005087 0.022732 -0.020606 -0.000591 0.031226 1Rh 2py -0.020924 0.022540 -0.095031 -0.043283 0.056013 -0.080513 1Rh 3pz 0.061285 0.016946 -0.177920 0.392101 0.005297 -0.065041 1Rh 3px -0.175572 0.018230 -0.081677 0.074796 0.002418 -0.110564 1Rh 3py 0.074664 -0.080276 0.340469 0.154669 -0.200426 0.285157 1Rh 4pz -0.089990 -0.025460 0.271089 -0.597975 -0.004884 0.095430 1Rh 4px 0.254625 -0.027881 0.125998 -0.117987 -0.005250 0.162851 1Rh 4py -0.114059 0.120561 -0.520644 -0.235302 0.305285 -0.418021 1Rh 5pz 0.063052 0.018987 -0.208640 0.459817 -0.004438 -0.059923 1Rh 5px -0.169772 0.020913 -0.098937 0.098883 0.006099 -0.107880 1Rh 5py 0.090088 -0.086783 0.402736 0.179584 -0.232984 0.265435 1Rh 6pz -0.108400 -0.028383 0.087683 -0.074881 0.061036 -0.044918 1Rh 6px 0.189770 0.007984 -0.042669 -0.009803 0.078546 -0.013822 1Rh 6py -0.021363 -0.009661 -0.079189 -0.011092 0.026775 0.096065 1Rh 1dz2 -0.003640 -0.001359 0.003556 -0.004763 0.002164 -0.005341 1Rh 1dxz -0.004410 -0.000346 -0.001039 0.008786 -0.000113 -0.001944 1Rh 1dyz -0.002823 -0.000096 0.000764 0.001816 0.009585 0.004038 1Rh 1dx2y2 0.004711 0.000160 -0.004728 0.001772 0.005033 -0.002991 1Rh 1dxy 0.003298 -0.001261 0.008671 0.004101 -0.000015 -0.002053 1Rh 2dz2 0.003856 0.000738 -0.003400 0.002481 -0.003570 0.001270 1Rh 2dxz 0.004116 0.000039 0.000499 -0.004651 0.000882 0.000764 1Rh 2dyz 0.003065 0.000655 -0.003366 -0.001892 -0.012062 -0.001831 1Rh 2dx2y2 -0.005080 -0.000114 0.002493 -0.001531 -0.004439 0.000317 1Rh 2dxy -0.002427 0.000991 -0.005894 -0.002787 -0.002851 0.000063 1Rh 3dz2 0.000907 0.004152 -0.002989 0.015214 0.006203 0.025103 1Rh 3dxz 0.004057 0.001859 0.003573 -0.027767 -0.004100 0.007507 1Rh 3dyz 0.000380 -0.002934 0.013570 -0.000722 0.007403 -0.014320 1Rh 3dx2y2 -0.000500 -0.000349 0.014855 -0.002364 -0.006217 0.016028 1Rh 3dxy -0.006591 0.002228 -0.020342 -0.009612 0.015480 0.012066 1Rh 4dz2 0.019338 -0.008366 -0.008986 -0.033550 -0.037708 -0.067320 1Rh 4dxz 0.011862 -0.005316 -0.008536 0.061592 0.017663 -0.017738 1Rh 4dyz 0.015482 0.012247 -0.059887 -0.007599 -0.086129 0.032527 1Rh 4dx2y2 -0.029506 0.000774 -0.031914 -0.001199 -0.005262 -0.043935 1Rh 4dxy 0.006023 -0.001575 0.031915 0.014681 -0.062972 -0.036831 1Rh 5dz2 -0.158712 0.000737 0.105682 0.037382 0.182261 0.116489 1Rh 5dxz -0.149228 0.012356 0.012536 -0.076047 -0.076414 0.014750 1Rh 5dyz -0.114742 -0.048637 0.248355 0.063766 0.501369 -0.025094 1Rh 5dx2y2 0.237383 -0.005351 0.027895 0.043030 0.122879 0.081031 1Rh 5dxy 0.053321 -0.018368 0.038985 0.025441 0.240139 0.091895 1Rh 1f0 0.008011 -0.001188 0.005508 0.000955 -0.010347 0.015902 1Rh 1f+1 -0.006034 -0.001217 0.002760 0.008023 0.005780 -0.000570 1Rh 1f-1 0.003683 -0.001756 0.000487 0.016071 -0.015746 0.006719 1Rh 1f+2 -0.005611 -0.001553 0.009341 -0.016759 -0.008772 0.009294 1Rh 1f-2 -0.003386 -0.004530 0.021663 0.005771 0.011288 0.016378 1Rh 1f+3 -0.009370 0.002551 -0.011064 0.004007 -0.000418 -0.004787 1Rh 1f-3 -0.002367 -0.000248 0.003119 0.000071 -0.016217 0.002805 2C 1s -0.000334 0.000829 0.001041 -0.002372 0.000510 0.000446 2C 2s -0.000139 0.000648 0.001120 -0.001330 0.000478 0.000368 2C 3s -0.024961 0.008005 -0.013868 -0.123191 0.030406 0.003062 2C 4s 0.131292 -0.057966 0.089132 0.801940 -0.178490 -0.007284 2C 5s -0.090483 -0.026275 -0.290538 -0.896692 0.182016 -0.060491 2C 1pz -0.001649 0.000940 0.001967 -0.006815 -0.000408 0.002476 2C 1px 0.012365 0.001426 -0.000987 -0.003541 -0.001355 0.004225 2C 1py 0.001088 -0.002084 -0.009311 -0.000761 0.003299 -0.006763 2C 2pz 0.093473 0.000709 0.093440 0.428495 -0.080263 0.034678 2C 2px -0.138664 -0.004188 0.055114 0.114561 -0.020355 -0.043098 2C 2py 0.011415 -0.001818 0.097062 0.264314 -0.067795 0.040309 2C 3pz 0.003950 0.008668 -0.042758 -0.135109 0.025543 0.009862 2C 3px -0.028757 0.008097 -0.013096 -0.077520 0.019095 0.004609 2C 3py -0.010212 -0.019540 -0.031808 -0.083864 0.023461 -0.054369 2C 1dz2 0.040069 0.003588 -0.006573 0.012231 -0.026019 0.008068 2C 1dxz -0.060980 -0.000120 0.038273 0.008287 0.030019 0.003081 2C 1dyz 0.011976 0.000221 -0.003062 0.021075 -0.009430 0.000817 2C 1dx2y2 0.004685 0.002539 0.002303 -0.011189 -0.003611 0.006463 2C 1dxy -0.047317 -0.005071 0.019220 0.004696 0.026633 -0.011708 2C 2dz2 0.102792 0.020121 -0.004496 0.101070 -0.049944 0.011718 2C 2dxz -0.179526 0.003594 0.090171 0.000153 0.082522 -0.012704 2C 2dyz 0.036083 -0.003651 0.040598 0.169835 -0.054685 0.009230 2C 2dx2y2 0.008510 0.007764 -0.030670 -0.026926 -0.019209 -0.032344 2C 2dxy -0.126703 -0.006961 0.054014 0.030131 0.049163 0.010647 2C 1f0 0.092917 0.008508 -0.038358 0.010536 -0.050444 0.003995 2C 1f+1 -0.068577 0.000853 0.042734 0.020626 0.030697 0.001150 2C 1f-1 0.032879 -0.001334 -0.010565 0.026258 -0.018607 0.002454 2C 1f+2 -0.046918 0.004027 0.019202 -0.028353 0.026359 0.001413 2C 1f-2 -0.111767 -0.015803 0.036129 0.014412 0.060373 -0.020316 2C 1f+3 -0.048521 0.010108 0.039718 -0.003883 0.019214 0.004795 2C 1f-3 0.027103 -0.007993 -0.023238 0.016740 -0.017343 -0.008540 3C 1s 0.000161 0.000859 0.002356 0.000869 -0.001564 -0.001091 3C 2s 0.000163 0.000786 0.001328 0.000968 -0.001147 -0.000791 3C 3s 0.009202 -0.006795 0.115183 -0.034671 -0.056918 -0.018558 3C 4s -0.089185 0.036844 -0.744469 0.209491 0.359810 0.108779 3C 5s 0.130705 -0.262519 0.806914 -0.404340 -0.283530 0.117315 3C 1pz -0.002317 -0.000586 -0.000885 -0.009094 -0.000003 0.009301 3C 1px 0.011289 -0.000424 0.002787 -0.001618 0.006142 -0.000699 3C 1py -0.000234 0.000086 -0.007291 -0.000928 0.003198 0.006861 3C 2pz 0.007631 0.019368 -0.197484 0.120309 0.092609 -0.061521 3C 2px -0.163375 0.021521 -0.156512 0.064440 -0.014150 0.050419 3C 2py 0.046205 -0.067587 0.402774 -0.170564 -0.160903 -0.027534 3C 3pz 0.016770 -0.029063 0.039670 -0.025092 -0.005852 0.054058 3C 3px -0.006606 -0.018083 0.066709 -0.037233 -0.043563 0.015753 3C 3py -0.030522 0.036558 -0.137671 0.060886 0.040606 -0.003504 3C 1dz2 0.016384 -0.000181 0.005411 -0.002370 0.021527 -0.004203 3C 1dxz -0.029638 -0.000347 -0.017772 -0.010096 -0.035886 0.018788 3C 1dyz -0.022724 -0.002036 0.010425 -0.008315 -0.040638 0.006628 3C 1dx2y2 -0.022905 -0.004832 0.006364 -0.021122 -0.038341 0.021932 3C 1dxy 0.043315 -0.001886 0.022010 0.003446 0.051068 -0.020015 3C 2dz2 0.051398 -0.017198 0.034830 0.007133 0.039532 -0.034368 3C 2dxz -0.086266 -0.001799 -0.052405 -0.003129 -0.105724 0.042480 3C 2dyz -0.039395 -0.021133 0.142697 -0.086569 -0.136409 0.023544 3C 2dx2y2 -0.056489 -0.028810 0.055253 -0.060894 -0.093222 0.045523 3C 2dxy 0.140197 -0.013862 0.077091 -0.013605 0.115865 -0.039384 3C 1f0 0.009386 -0.007962 0.003445 -0.011683 0.007876 0.007386 3C 1f+1 0.016728 -0.008360 -0.008412 -0.005867 0.034746 0.007174 3C 1f-1 -0.033605 -0.003272 -0.006357 -0.018259 -0.041095 0.018895 3C 1f+2 -0.059002 0.010424 0.011478 -0.000053 -0.086362 0.006618 3C 1f-2 0.043050 0.004004 0.037355 0.010867 0.040087 -0.027131 3C 1f+3 -0.067960 0.001166 -0.038196 -0.010197 -0.071898 0.034346 3C 1f-3 -0.077107 -0.011651 -0.004950 -0.038585 -0.112761 0.046909 4C 1s 0.001837 -0.000168 -0.000283 0.004430 -0.002129 0.000301 4C 2s 0.002886 -0.000366 -0.000982 0.004176 -0.002423 0.000644 4C 3s 0.042556 -0.013272 0.047248 0.396901 -0.117198 0.004718 4C 4s -0.288715 0.066053 -0.238332 -2.081495 0.642842 -0.062081 4C 5s -0.021324 0.033632 0.135711 0.117158 0.041740 -0.012518 4C 1pz -0.010797 0.006296 -0.009657 -0.031109 -0.021250 -0.003265 4C 1px 0.008617 -0.005215 0.032773 0.005196 0.090049 0.011218 4C 1py -0.005449 -0.003589 -0.000385 -0.015270 0.024020 -0.006041 4C 2pz 0.183666 0.220555 0.286365 -0.102776 -0.154408 0.200012 4C 2px -0.326521 0.117227 0.437195 -0.004122 0.261212 0.092001 4C 2py -0.204654 -0.343658 -0.418255 0.074546 0.276543 -0.286360 4C 3pz -0.020336 0.021149 -0.128154 -0.639743 0.123511 -0.110067 4C 3px -0.068932 0.000952 0.122134 -0.055933 0.172720 -0.011515 4C 3py -0.050434 0.009527 -0.101449 -0.399018 0.148730 0.022317 4C 1dz2 -0.028326 0.048299 0.091446 -0.001873 -0.021244 0.032586 4C 1dxz 0.108307 0.024992 0.005258 0.027912 -0.051619 0.058757 4C 1dyz -0.013707 -0.028289 -0.043695 -0.009415 0.018560 -0.011346 4C 1dx2y2 0.009110 0.038008 0.050762 -0.064015 -0.001571 0.055337 4C 1dxy 0.056288 0.007099 -0.018973 -0.026569 -0.005650 -0.023141 4C 2dz2 0.184126 0.160340 0.110077 -0.196491 -0.072341 0.056891 4C 2dxz -0.219876 0.067527 0.150317 -0.047820 -0.006355 0.047932 4C 2dyz -0.060489 -0.070694 -0.171229 -0.346006 0.118372 -0.018852 4C 2dx2y2 -0.006303 0.107130 0.171771 -0.077046 0.009481 0.113355 4C 2dxy -0.220779 0.013403 0.058337 -0.158537 0.085253 -0.118153 4C 1f0 -0.224715 -0.003693 0.132474 0.043377 0.126164 -0.059594 4C 1f+1 0.219420 -0.059084 -0.200038 0.098985 -0.134602 -0.021770 4C 1f-1 -0.073231 0.011540 0.070914 0.009358 0.042141 0.030293 4C 1f+2 0.149500 0.074014 0.027584 -0.090304 -0.088268 0.082414 4C 1f-2 0.332898 0.133944 0.019165 -0.036669 -0.246406 0.108422 4C 1f+3 0.156333 -0.109701 -0.274605 0.021804 -0.050804 -0.146137 4C 1f-3 0.065232 0.112457 0.164337 0.041361 -0.082490 0.110486 5C 1s -0.000680 0.000236 -0.004517 0.000518 0.001588 0.000471 5C 2s -0.000869 -0.000213 -0.004218 -0.000414 0.002125 0.000676 5C 3s -0.053239 0.038738 -0.377727 0.116311 0.145141 0.024438 5C 4s 0.304706 -0.199747 1.984947 -0.580346 -0.761894 -0.123508 5C 5s -0.010419 0.102347 -0.065426 0.116878 0.056180 -0.082315 5C 1pz -0.007569 -0.004161 0.025184 -0.003939 0.015464 0.013461 5C 1px 0.036839 0.003297 -0.029635 -0.017652 -0.077091 -0.022720 5C 1py 0.002639 -0.000240 -0.033329 0.001268 0.000520 0.000935 5C 2pz 0.105635 -0.302755 -0.063001 -0.441808 0.216457 0.324242 5C 2px -0.230983 -0.050734 -0.098629 -0.136016 -0.451094 0.200126 5C 2py -0.035176 -0.214786 -0.146527 -0.397835 -0.018351 0.296886 5C 3pz 0.066363 -0.100650 0.372212 -0.175816 -0.043807 -0.012424 5C 3px 0.023332 -0.026116 0.139168 -0.083532 -0.239933 -0.024384 5C 3py -0.122256 0.101217 -0.583370 0.176803 0.176795 -0.087954 5C 1dz2 -0.025416 -0.042917 -0.056721 -0.072542 0.001879 0.088685 5C 1dxz 0.031262 -0.013551 -0.038205 -0.020974 0.047096 0.002056 5C 1dyz 0.025706 0.026999 -0.013161 0.053840 0.034203 -0.053173 5C 1dx2y2 0.051064 -0.029942 0.036307 -0.051366 0.031183 0.014877 5C 1dxy -0.069026 -0.003303 0.000728 -0.020636 -0.066312 0.037761 5C 2dz2 0.066487 -0.131965 -0.211197 -0.143628 0.151501 0.103208 5C 2dxz -0.092382 -0.063897 -0.011544 -0.112813 -0.071661 0.084063 5C 2dyz -0.162184 0.110510 -0.302346 0.200572 0.038842 0.015007 5C 2dx2y2 -0.146656 -0.096632 -0.098906 -0.112334 -0.051624 0.160336 5C 2dxy 0.182770 0.017282 -0.151309 0.069181 0.234392 -0.121805 5C 1f0 -0.067548 0.043654 -0.022925 0.067450 -0.073617 -0.029939 5C 1f+1 -0.001707 0.106086 -0.007836 0.180006 0.015338 -0.169900 5C 1f-1 0.084644 0.088451 0.069401 0.165746 0.116472 -0.150378 5C 1f+2 0.198351 -0.099573 0.018060 -0.117840 0.294753 0.053137 5C 1f-2 -0.089349 0.019441 0.032906 -0.003058 -0.182037 0.013329 5C 1f+3 0.179210 0.009829 -0.009442 0.077876 0.291905 -0.076473 5C 1f-3 0.193889 0.069864 0.175624 0.166985 0.235139 -0.216602 6C 1s 0.000640 -0.001032 0.004377 -0.000522 -0.001627 0.000252 6C 2s 0.000780 -0.001390 0.003917 0.000401 -0.002170 0.000376 6C 3s 0.053693 -0.067124 0.374571 -0.116490 -0.148488 0.005755 6C 4s -0.303317 0.356993 -1.964524 0.580112 0.776196 -0.026176 6C 5s 0.009351 0.080646 0.093943 -0.112395 -0.044587 -0.086409 6C 1pz -0.007737 -0.003140 0.025332 -0.003946 0.017176 -0.010799 6C 1px 0.036816 0.006158 -0.029105 -0.017653 -0.079287 0.011074 6C 1py 0.002816 0.009717 -0.031708 0.001330 0.000814 -0.001149 6C 2pz 0.104542 0.321852 0.033290 -0.433677 0.266884 -0.287164 6C 2px -0.232705 0.083524 -0.080441 -0.135696 -0.422991 -0.261560 6C 2py -0.035506 0.259520 -0.072515 -0.391271 0.024378 -0.292569 6C 3pz 0.065443 -0.005473 0.384307 -0.172111 -0.044009 0.009715 6C 3px 0.023237 -0.012389 0.139060 -0.081959 -0.241316 -0.009081 6C 3py -0.120119 0.065164 -0.587090 0.174151 0.160101 0.106907 6C 1dz2 0.025820 -0.059696 0.040808 0.071715 -0.013804 0.087095 6C 1dxz -0.031764 -0.024340 0.032253 0.020044 -0.049170 -0.004835 6C 1dyz -0.026106 0.024030 0.021036 -0.053416 -0.026458 -0.056833 6C 1dx2y2 -0.050963 -0.019886 -0.044307 0.050538 -0.034134 0.009985 6C 1dxy 0.069556 -0.003951 -0.001379 0.020583 0.060114 0.046085 6C 2dz2 -0.066673 -0.190587 0.161620 0.139319 -0.165233 0.080856 6C 2dxz 0.092303 -0.068153 -0.008134 0.110081 0.056651 0.090619 6C 2dyz 0.162707 0.025321 0.323883 -0.197678 -0.038851 0.011874 6C 2dx2y2 0.148141 -0.125036 0.066401 0.109904 0.028862 0.165579 6C 2dxy -0.184162 -0.023671 0.150332 -0.070827 -0.222569 -0.151680 6C 1f0 -0.067783 -0.037005 -0.035695 0.065781 -0.080286 0.018332 6C 1f+1 -0.001068 -0.105277 -0.040897 0.178062 -0.008684 0.169004 6C 1f-1 0.085701 -0.110435 0.039214 0.163826 0.095307 0.164094 6C 1f+2 0.199221 0.092529 0.048985 -0.114335 0.304354 -0.010022 6C 1f-2 -0.089964 -0.027240 0.025561 -0.004304 -0.181240 -0.038769 6C 1f+3 0.180266 -0.010588 -0.011539 0.078202 0.279528 0.115806 6C 1f-3 0.195434 -0.123560 0.146546 0.165587 0.203287 0.246215 7C 1s -0.001848 -0.000094 0.000250 -0.004422 0.002125 0.000654 7C 2s -0.002884 -0.000463 0.000894 -0.004166 0.002407 0.001085 7C 3s -0.044066 0.013467 -0.049801 -0.396653 0.117218 0.022067 7C 4s 0.294921 -0.071418 0.247641 2.079711 -0.639501 -0.159321 7C 5s 0.022277 0.071744 -0.114931 -0.116559 -0.041541 -0.017920 7C 1pz -0.010693 -0.001953 -0.010887 -0.031101 -0.021001 0.000300 7C 1px 0.008355 -0.005065 0.033011 0.004990 0.089963 0.001842 7C 1py -0.005505 0.004061 0.000671 -0.015224 0.022884 0.009466 7C 2pz 0.181890 -0.291131 0.213734 -0.113342 -0.124937 -0.216094 7C 2px -0.327504 -0.239067 0.386215 -0.009641 0.278851 -0.048311 7C 2py -0.203956 0.446128 -0.304646 0.091576 0.235428 0.320145 7C 3pz -0.020489 0.034791 -0.126599 -0.640520 0.103180 0.128733 7C 3px -0.068935 -0.034897 0.117327 -0.055177 0.168989 0.037686 7C 3py -0.050646 0.030774 -0.097470 -0.400551 0.149122 0.000833 7C 1dz2 0.028128 0.072773 -0.074500 0.003905 0.015233 0.034249 7C 1dxz -0.107848 0.026254 0.001838 -0.026330 0.045333 0.066135 7C 1dyz 0.013820 -0.039628 0.033840 0.008337 -0.016278 -0.013295 7C 1dx2y2 -0.008578 0.048952 -0.038144 0.065775 -0.006118 0.054409 7C 1dxy -0.056574 0.000593 0.019625 0.026676 0.008685 -0.021822 7C 2dz2 -0.183253 0.179057 -0.061281 0.201702 0.065149 0.065888 7C 2dxz 0.219291 0.105755 -0.123418 0.049975 -0.002881 0.046203 7C 2dyz 0.060751 -0.127654 0.144783 0.343417 -0.114115 -0.034536 7C 2dx2y2 0.006663 0.150069 -0.133969 0.081252 -0.023662 0.109142 7C 2dxy 0.221634 0.025139 -0.053264 0.157644 -0.076032 -0.131791 7C 1f0 -0.223479 -0.036093 0.127233 0.043742 0.120256 0.079306 7C 1f+1 0.219092 0.112086 -0.175741 0.101303 -0.140827 -0.000882 7C 1f-1 -0.073543 -0.032352 0.064936 0.008490 0.046317 -0.023122 7C 1f+2 0.148524 -0.076149 0.006297 -0.094031 -0.077893 -0.094468 7C 1f-2 0.332767 -0.132036 -0.018307 -0.042648 -0.231768 -0.143570 7C 1f+3 0.157658 0.183621 -0.232419 0.027273 -0.073120 0.133968 7C 1f-3 0.065190 -0.156072 0.126217 0.036089 -0.066186 -0.119528 8C 1s -0.000161 0.001496 -0.001987 -0.000805 0.001722 -0.000838 8C 2s -0.000163 0.001138 -0.001023 -0.000913 0.001260 -0.000600 8C 3s -0.009186 0.025208 -0.112776 0.034997 0.059914 -0.010787 8C 4s 0.089375 -0.170025 0.726351 -0.211796 -0.376741 0.060409 8C 5s -0.127600 -0.029930 -0.849606 0.394664 0.262672 0.147911 8C 1pz -0.002321 0.001109 -0.000437 -0.009129 0.001325 -0.009081 8C 1px 0.011333 -0.000398 0.002917 -0.001630 0.005986 0.001543 8C 1py -0.000309 0.002064 -0.006955 -0.000997 0.004148 -0.006413 8C 2pz 0.007745 0.034217 -0.197247 0.120456 0.084469 0.071324 8C 2px -0.164182 0.022949 -0.158449 0.064064 -0.006558 -0.052640 8C 2py 0.046604 -0.045833 0.406923 -0.168511 -0.164705 0.008663 8C 3pz 0.016290 0.016954 0.046870 -0.024222 0.002694 -0.053644 8C 3px -0.006768 -0.000713 0.070118 -0.036911 -0.040516 -0.020686 8C 3py -0.029952 0.002983 -0.141347 0.059355 0.039518 0.007899 8C 1dz2 -0.016374 0.001406 -0.005341 0.002370 -0.020708 -0.007120 8C 1dxz 0.029785 -0.005985 0.016947 0.010242 0.032995 0.023646 8C 1dyz 0.022963 0.000610 -0.010496 0.008419 0.040005 0.012238 8C 1dx2y2 0.023037 -0.003599 -0.007667 0.021100 0.035216 0.026740 8C 1dxy -0.043682 0.004856 -0.021879 -0.003660 -0.048625 -0.027015 8C 2dz2 -0.051539 -0.005917 -0.038239 -0.007881 -0.034592 -0.039319 8C 2dxz 0.086812 -0.017435 0.049633 0.004038 0.101127 0.057536 8C 2dyz 0.039862 0.017743 -0.143362 0.086403 0.133612 0.040901 8C 2dx2y2 0.056538 -0.013577 -0.062623 0.060054 0.087042 0.056527 8C 2dxy -0.141090 0.009280 -0.078603 0.012685 -0.110786 -0.055528 8C 1f0 0.009666 0.006865 0.005954 -0.011318 0.009336 -0.005904 8C 1f+1 0.016811 0.010233 -0.005350 -0.005271 0.035851 -0.001933 8C 1f-1 -0.033948 0.005645 -0.005167 -0.018156 -0.038534 -0.024194 8C 1f+2 -0.059333 -0.012664 0.007604 -0.000902 -0.085671 -0.018798 8C 1f-2 0.043273 -0.015075 0.034698 0.010747 0.036028 0.032365 8C 1f+3 -0.068160 0.010438 -0.036980 -0.010285 -0.067029 -0.043815 8C 1f-3 -0.077777 0.014228 -0.001271 -0.038606 -0.106580 -0.061872 9C 1s 0.000367 0.000938 -0.000707 0.002384 -0.000605 0.000307 9C 2s 0.000161 0.000838 -0.000843 0.001338 -0.000552 0.000250 9C 3s 0.025632 -0.000818 0.015685 0.123281 -0.031456 -0.002096 9C 4s -0.134768 0.000070 -0.103710 -0.802266 0.182870 0.022683 9C 5s 0.089598 -0.129392 0.261021 0.897536 -0.166526 -0.088980 9C 1pz -0.001625 -0.001275 0.001706 -0.006779 0.000025 -0.002572 9C 1px 0.012305 -0.000958 -0.001313 -0.003600 -0.000820 -0.004357 9C 1py 0.001099 0.004686 -0.008447 -0.000791 0.002259 0.006955 9C 2pz 0.093127 -0.040311 0.088325 0.425965 -0.076489 -0.044560 9C 2px -0.137853 -0.015266 0.053349 0.114576 -0.023764 0.039264 9C 2py 0.011822 -0.034436 0.094750 0.266877 -0.061304 -0.047785 9C 3pz 0.004418 0.006804 -0.041358 -0.134625 0.024754 -0.006160 9C 3px -0.029053 -0.001454 -0.014707 -0.077925 0.019840 -0.001761 9C 3py -0.009980 0.029687 -0.024446 -0.085227 0.015064 0.057406 9C 1dz2 -0.039952 0.001780 0.007218 -0.011916 0.025065 0.011819 9C 1dxz 0.061116 0.011257 -0.036714 -0.008240 -0.031206 -0.001949 9C 1dyz -0.012090 -0.000007 0.003007 -0.021087 0.009516 0.002386 9C 1dx2y2 -0.004737 0.002888 -0.001605 0.011438 0.002765 0.007085 9C 1dxy 0.047019 0.000866 -0.019634 -0.004961 -0.025349 -0.015767 9C 2dz2 -0.102323 0.020558 0.010410 -0.100291 0.049090 0.018816 9C 2dxz 0.180270 0.029191 -0.085112 0.000167 -0.083486 -0.027719 9C 2dyz -0.036306 0.013167 -0.040056 -0.169862 0.052861 0.017026 9C 2dx2y2 -0.009324 -0.001833 0.031178 0.027144 0.023274 -0.028209 9C 2dxy 0.126210 0.009732 -0.052410 -0.029650 -0.049877 0.002269 9C 1f0 0.092232 0.002353 -0.038487 0.010063 -0.050096 -0.012046 9C 1f+1 -0.067472 -0.013886 0.040120 0.020395 0.030748 0.003632 9C 1f-1 0.033345 0.003323 -0.009801 0.026177 -0.018888 -0.005630 9C 1f+2 -0.046890 -0.008126 0.016855 -0.028536 0.026980 0.003276 9C 1f-2 -0.112129 0.003432 0.039610 0.015021 0.058642 0.029306 9C 1f+3 -0.049818 -0.020619 0.035390 -0.004156 0.021433 -0.000750 9C 1f-3 0.027180 0.013578 -0.019757 0.017032 -0.018765 0.005245 10H 1s -0.042792 0.004139 0.025350 -0.018578 0.024286 0.007305 10H 2s -0.056346 0.018528 0.078295 -0.040357 0.079642 0.042850 10H 3s 0.022595 0.001759 0.026801 0.123675 -0.040531 -0.008051 10H 1pz -0.010911 0.007606 0.023237 -0.004660 0.014784 0.014433 10H 1px 0.033072 -0.004793 -0.025838 0.016574 -0.026057 -0.008896 10H 1py -0.006231 -0.002402 0.002528 -0.000660 0.009379 -0.005237 11H 1s 0.006416 -0.001065 -0.006531 0.008878 -0.010879 0.001781 11H 2s 0.009456 0.016339 0.028557 0.022954 -0.007105 0.010500 11H 3s 0.011738 0.012664 0.027043 0.048828 -0.004096 0.016858 11H 1pz -0.004574 0.000699 -0.003355 -0.010078 0.006976 -0.005884 11H 1px 0.008478 0.005084 0.003751 0.005965 -0.007717 -0.001206 11H 1py -0.007785 0.002206 0.001080 -0.010828 0.005837 -0.006252 12H 1s 0.019141 0.009178 -0.000270 -0.003167 -0.020313 0.004138 12H 2s 0.027391 0.027087 0.031310 -0.003475 -0.029816 -0.000288 12H 3s 0.010106 0.001685 0.031689 0.073888 -0.001937 -0.012144 12H 1pz -0.013066 -0.001840 0.005271 -0.007762 0.007278 0.003522 12H 1px 0.005749 0.000551 -0.002033 0.004890 -0.007965 0.000734 12H 1py 0.017779 0.015970 0.014926 -0.013068 -0.016246 0.012334 13H 1s -0.028712 0.003319 0.009901 -0.001019 -0.048890 0.002107 13H 2s -0.024189 0.025060 0.017607 0.018779 -0.118044 -0.025783 13H 3s -0.014897 0.027181 -0.099105 0.054484 0.063865 0.008609 13H 1pz -0.013265 0.004576 0.004831 0.001900 -0.037601 -0.004471 13H 1px 0.016332 -0.006435 -0.006293 -0.003937 0.037305 0.002705 13H 1py 0.001536 -0.007115 0.000937 -0.009475 0.015139 0.008070 14H 1s 0.012368 0.007222 0.013440 0.018398 0.022740 -0.026297 14H 2s 0.012423 0.033863 0.027745 0.063171 0.019746 -0.063254 14H 3s -0.007421 0.028199 -0.079166 0.037401 0.016993 -0.003381 14H 1pz 0.006627 0.010157 0.017663 0.020028 0.002052 -0.022535 14H 1px 0.008883 0.010337 0.010402 0.022334 0.015003 -0.024279 14H 1py 0.009271 0.001936 -0.001175 0.002725 0.012401 -0.003819 15H 1s -0.001028 0.001774 -0.007795 0.004408 0.011558 0.004668 15H 2s 0.000054 0.036819 -0.018760 0.042026 -0.004284 -0.007240 15H 3s -0.000987 0.026364 -0.040141 0.029800 0.009044 -0.027129 15H 1pz -0.002074 -0.004654 0.011993 -0.012443 -0.010548 0.003988 15H 1px 0.002494 0.005869 0.002513 0.005843 0.003120 -0.004530 15H 1py -0.001058 -0.006761 -0.009121 0.000334 0.007726 -0.004431 16H 1s -0.095990 -0.007764 0.044467 0.002634 0.052271 -0.016105 16H 2s -0.101206 -0.004530 0.001156 -0.066125 -0.019771 -0.045572 16H 3s 0.000132 0.003752 -0.011176 0.029690 -0.043423 -0.003423 16H 1pz -0.083683 -0.004755 0.021812 -0.022695 0.014218 -0.027271 16H 1px 0.005278 -0.000689 0.009469 0.014897 0.019141 0.001092 16H 1py -0.055842 -0.003856 0.012145 -0.007301 0.006899 -0.003545 17H 1s -0.069377 -0.003333 -0.007571 -0.010901 -0.066611 -0.027979 17H 2s -0.110438 -0.004138 -0.021806 -0.000610 0.006526 -0.058181 17H 3s -0.006297 -0.002684 0.040892 -0.002880 0.019516 -0.005514 17H 1pz 0.037626 0.004073 0.006554 0.005992 0.030028 0.023428 17H 1px 0.057714 0.002902 0.005311 -0.001735 -0.000224 0.022802 17H 1py -0.060689 -0.003033 -0.000614 -0.007568 -0.021649 -0.012813 18H 1s 0.069491 -0.005901 0.005806 0.009464 0.066769 -0.019136 18H 2s 0.110282 -0.010080 0.019951 -0.000891 0.002650 -0.060441 18H 3s 0.006075 0.009016 -0.039107 0.003650 -0.017945 -0.008356 18H 1pz 0.038978 -0.006073 0.005062 0.005566 0.032833 -0.020000 18H 1px 0.058025 -0.004195 0.004172 -0.002585 0.002538 -0.023298 18H 1py -0.059467 0.003377 0.000759 -0.006587 -0.021219 0.009961 19H 1s 0.096299 0.005640 -0.045044 -0.003483 -0.051277 -0.023002 19H 2s 0.101043 -0.006009 -0.001618 0.065535 0.026057 -0.041139 19H 3s -0.000308 0.001424 0.011580 -0.029528 0.043751 0.002923 19H 1pz -0.082646 -0.001103 0.021935 -0.021944 0.010886 0.028222 19H 1px 0.005973 -0.002591 0.009119 0.014806 0.018581 0.001448 19H 1py -0.057535 0.000475 0.013421 -0.007090 0.007669 0.004782 20H 1s 0.000928 -0.000436 0.007718 -0.004175 -0.012186 0.003191 20H 2s -0.000295 0.030447 0.028422 -0.040010 0.005448 -0.005719 20H 3s 0.000697 0.014297 0.046974 -0.028738 -0.004758 -0.027604 20H 1pz -0.002260 0.001324 0.012751 -0.012168 -0.010051 -0.005149 20H 1px 0.002471 -0.006570 0.000518 0.005855 0.002684 0.004944 20H 1py -0.001088 0.008743 -0.006978 0.001001 0.007025 0.005590 21H 1s -0.012276 0.011283 -0.010227 -0.018229 -0.019106 -0.028849 21H 2s -0.012541 0.041662 -0.014950 -0.061778 -0.011447 -0.064369 21H 3s 0.007050 0.005211 0.083441 -0.036231 -0.016634 -0.005097 21H 1pz 0.006684 -0.015474 0.013630 0.019821 -0.001264 0.022551 21H 1px 0.008857 -0.013280 0.006365 0.021738 0.011575 0.025539 21H 1py 0.009270 -0.001666 -0.001868 0.002815 0.012101 0.005508 22H 1s 0.029024 0.005635 -0.008385 0.001622 0.049078 0.009269 22H 2s 0.024500 0.028504 -0.009154 -0.016477 0.122957 -0.007659 22H 3s 0.014815 -0.000924 0.103601 -0.053593 -0.064779 0.000300 22H 1pz -0.013257 -0.005320 0.003009 0.001225 -0.037935 -0.001247 22H 1px 0.016550 0.007847 -0.004159 -0.003346 0.038327 0.002834 22H 1py 0.001728 0.006746 0.003120 -0.009062 0.016853 -0.005487 23H 1s -0.018526 0.008277 0.002557 0.003017 0.019153 0.006634 23H 2s -0.026351 0.032856 -0.022164 0.002792 0.027110 0.002958 23H 3s -0.009857 0.012078 -0.028372 -0.072821 0.003339 -0.011583 23H 1pz -0.013009 0.000527 0.005446 -0.008120 0.007851 -0.002425 23H 1px 0.005424 0.000515 -0.002306 0.005182 -0.007379 -0.001795 23H 1py 0.017159 -0.018531 0.009877 -0.013327 -0.013724 -0.013955 24H 1s -0.006711 -0.002994 0.006488 -0.008576 0.011025 0.003462 24H 2s -0.009257 0.022223 -0.020470 -0.021914 0.005601 0.011570 24H 3s -0.011534 0.020408 -0.021314 -0.049420 0.001496 0.017428 24H 1pz -0.004662 0.001433 -0.004200 -0.009993 0.006127 0.007036 24H 1px 0.008597 -0.005681 0.001787 0.005850 -0.007927 -0.000082 24H 1py -0.007954 -0.002543 0.000924 -0.010524 0.005104 0.007007 25H 1s 0.043320 0.010161 -0.022700 0.018783 -0.025881 0.002300 25H 2s 0.058174 0.036857 -0.068288 0.041094 -0.086372 0.026695 25H 3s -0.023164 0.012926 -0.024267 -0.124119 0.041538 -0.000950 25H 1pz -0.011607 -0.013448 0.019994 -0.005114 0.017138 -0.011336 25H 1px 0.033533 0.010674 -0.022779 0.016699 -0.027756 0.003463 25H 1py -0.005880 0.002088 0.002606 -0.000041 0.008541 0.007033 26O 1s 0.000682 -0.000008 -0.000511 -0.000105 -0.000591 -0.000033 26O 2s 0.002459 -0.000106 -0.001584 0.000645 -0.001964 -0.000062 26O 3s -0.065956 0.001895 0.028237 -0.039962 0.040811 -0.003220 26O 4s 0.421632 0.003708 -0.159738 0.082691 -0.141627 0.029419 26O 5s -0.122483 -0.047126 0.055082 0.856893 -0.448512 0.039157 26O 1pz 0.035647 0.021147 0.005691 -0.023942 -0.036766 0.027558 26O 1px 0.003354 0.010033 0.011927 0.034987 -0.042371 0.016034 26O 1py 0.004727 -0.028283 -0.057839 0.012248 -0.012700 -0.040872 26O 2pz -0.193187 -0.085586 -0.004233 0.042520 0.197633 -0.116954 26O 2px -0.120546 -0.034216 -0.036021 -0.285044 0.213657 -0.080060 26O 2py -0.088077 0.115806 0.249058 -0.136512 0.095968 0.170595 26O 3pz -0.258026 -0.105441 0.086189 0.282630 0.156766 -0.009057 26O 3px -0.315013 -0.053410 0.064725 -0.216764 0.281215 -0.026416 26O 3py -0.213118 0.101314 0.338151 0.044256 0.137466 0.061391 26O 1dz2 0.170349 0.057242 -0.070746 -0.085781 -0.131766 -0.069282 26O 1dxz 0.072985 -0.154623 -0.233851 0.184189 0.059043 -0.192042 26O 1dyz 0.211640 -0.072888 -0.236936 -0.073862 -0.050076 -0.001533 26O 1dx2y2 -0.220580 -0.191994 -0.202373 -0.000561 0.246071 -0.269008 26O 1dxy 0.128596 0.242730 0.375400 -0.043929 -0.042735 0.236238 26O 2dz2 -0.125714 -0.026738 0.076323 0.009728 0.122415 0.077349 26O 2dxz 0.128483 0.191647 0.179007 -0.187828 -0.189277 0.239795 26O 2dyz -0.097549 0.070790 0.168668 0.052286 -0.004924 0.020938 26O 2dx2y2 0.138387 0.219802 0.308717 0.063209 -0.224929 0.305315 26O 2dxy -0.056288 -0.262788 -0.437372 0.110834 -0.006289 -0.277171 26O 1f0 0.151083 0.055379 -0.007412 -0.041761 -0.122455 0.076460 26O 1f+1 -0.090327 -0.016306 0.022818 0.036401 0.026401 -0.032259 26O 1f-1 -0.019246 -0.048832 -0.067705 0.041527 0.012316 -0.070436 26O 1f+2 -0.138353 -0.085239 -0.047158 0.040941 0.115926 -0.101448 26O 1f-2 -0.152083 -0.049826 0.024120 0.042715 0.122956 -0.052548 26O 1f+3 -0.074863 0.143068 0.291610 0.003190 -0.009871 0.183419 26O 1f-3 -0.030494 -0.056015 -0.094547 0.040297 -0.019106 -0.070486 27O 1s 0.000197 -0.000168 0.000163 -0.000064 0.000539 0.000373 27O 2s 0.000731 -0.000394 -0.000666 -0.000108 0.001722 0.000978 27O 3s -0.031392 0.000628 0.040195 -0.008454 -0.050612 0.003216 27O 4s 0.307969 0.006031 -0.081929 0.040431 0.269103 -0.131445 27O 5s -0.375130 0.058751 -0.791859 0.201082 0.410031 0.114726 27O 1pz 0.020648 -0.024708 0.006543 -0.040236 0.022485 0.020351 27O 1px -0.019268 -0.004643 -0.030165 0.001356 0.041014 0.014217 27O 1py -0.014534 -0.015611 -0.028187 -0.033343 -0.029496 0.032600 27O 2pz -0.086397 0.095626 -0.020195 0.153411 -0.126175 -0.100574 27O 2px 0.009272 -0.000287 0.286011 -0.046859 -0.265205 -0.017830 27O 2py 0.085064 0.067686 0.056539 0.162672 0.202008 -0.149440 27O 3pz -0.101444 0.155073 -0.174272 0.182454 -0.121890 -0.005545 27O 3px -0.192175 0.004196 0.158666 -0.080566 -0.418709 0.025924 27O 3py 0.225656 0.066986 0.287065 0.109877 0.202304 -0.061539 27O 1dz2 -0.044351 -0.127237 -0.040685 -0.101743 0.087482 0.000114 27O 1dxz 0.071240 0.242796 0.049396 0.428851 0.080610 -0.302064 27O 1dyz -0.170169 -0.005008 -0.199636 -0.056740 -0.153503 0.197281 27O 1dx2y2 -0.127293 0.031037 -0.075654 0.045452 -0.279230 -0.068660 27O 1dxy -0.154131 0.162534 0.143616 0.229108 -0.166833 -0.112068 27O 2dz2 0.037726 0.098219 0.080922 0.067440 -0.112811 -0.000013 27O 2dxz 0.039664 -0.272797 -0.015965 -0.453497 0.066747 0.297733 27O 2dyz 0.132041 0.025432 0.174931 0.082154 0.122706 -0.185642 27O 2dx2y2 0.049799 -0.049738 -0.053790 -0.076106 0.235245 0.122128 27O 2dxy 0.019003 -0.180496 -0.166735 -0.300855 -0.030568 0.203987 27O 1f0 0.082708 -0.079638 0.023303 -0.118826 0.116013 0.058048 27O 1f+1 -0.031563 -0.023523 -0.022053 -0.028265 0.026406 0.029443 27O 1f-1 -0.028378 -0.031646 -0.028529 -0.056757 -0.051570 0.036971 27O 1f+2 -0.101035 0.094115 0.001341 0.131353 -0.140435 -0.078092 27O 1f-2 0.026407 -0.052935 -0.006237 -0.079345 0.048627 0.055568 27O 1f+3 -0.117248 -0.057600 -0.104242 -0.116792 -0.092427 0.153376 27O 1f-3 -0.097508 -0.063300 -0.092219 -0.144039 -0.171147 0.121247 28O 1s 0.000325 -0.000099 -0.000157 -0.000158 0.000105 0.000166 28O 2s 0.001054 -0.000230 -0.000466 0.000412 -0.000394 0.000467 28O 3s 0.012326 0.003170 -0.005584 -0.035348 0.012652 -0.000703 28O 4s -0.277117 -0.005626 0.072375 0.043002 -0.008357 -0.042996 28O 5s 0.232024 -0.050619 0.165335 0.976048 -0.071694 0.084635 28O 1pz -0.007472 0.015401 0.042797 0.009637 0.019527 0.008545 28O 1px -0.021734 0.013649 0.012354 -0.048650 -0.004319 -0.000808 28O 1py -0.028905 -0.031192 -0.033455 0.000287 0.034542 -0.015333 28O 2pz 0.102657 -0.055162 -0.213505 -0.167861 -0.060138 -0.036466 28O 2px 0.046986 -0.055197 -0.042149 0.288600 -0.043058 -0.016611 28O 2py 0.145338 0.129960 0.115431 -0.045316 -0.152273 0.078907 28O 3pz 0.338415 -0.068452 -0.311697 0.054767 -0.232731 0.026565 28O 3px -0.129181 -0.069360 0.036577 0.311757 -0.000046 0.029708 28O 3py 0.212898 0.125035 0.081490 0.106167 -0.205295 -0.033053 28O 1dz2 -0.250869 -0.142415 -0.134548 0.072342 0.134771 -0.174375 28O 1dxz -0.054400 0.100722 0.222667 -0.063630 0.136568 -0.014455 28O 1dyz -0.230308 0.137162 0.314281 -0.127007 0.058490 0.074875 28O 1dx2y2 0.161012 0.138382 0.067309 -0.104820 -0.141691 -0.037844 28O 1dxy -0.110479 -0.251962 -0.350207 -0.047233 0.198263 -0.109981 28O 2dz2 0.090531 0.177921 0.271379 -0.086667 -0.055408 0.170196 28O 2dxz 0.056613 -0.092873 -0.234348 -0.035462 -0.114040 0.001785 28O 2dyz 0.092312 -0.172276 -0.297162 0.121200 0.023901 -0.098370 28O 2dx2y2 -0.024332 -0.121559 -0.109995 0.163216 0.045197 0.037978 28O 2dxy 0.202503 0.282724 0.339977 0.020373 -0.260072 0.133698 28O 1f0 0.092887 -0.066058 -0.141867 0.048706 -0.029694 -0.035576 28O 1f+1 -0.101668 0.088475 0.218822 -0.029585 0.071685 0.050613 28O 1f-1 0.068718 0.027610 0.000988 0.010045 -0.070227 0.024493 28O 1f+2 -0.111019 -0.021116 0.001410 -0.048085 0.044613 -0.020380 28O 1f-2 -0.147217 -0.128905 -0.110744 0.031729 0.140947 -0.065720 28O 1f+3 -0.126889 0.010905 0.071163 -0.039374 0.063934 -0.023423 28O 1f-3 -0.097226 -0.099352 -0.102026 0.013170 0.099285 -0.050785 29O 1s 0.003564 0.000213 -0.000663 0.000284 0.000377 0.000459 29O 2s 0.011710 0.000723 -0.002138 0.000955 0.001218 0.001874 29O 3s -0.163943 -0.010304 0.027375 -0.015462 -0.016348 -0.032720 29O 4s 0.392950 0.025390 -0.068580 0.033985 0.041001 0.077012 29O 5s -0.155707 -0.012065 0.077051 0.026865 -0.036857 0.049470 29O 1pz 0.009448 0.001412 -0.012163 0.002088 -0.021449 0.000691 29O 1px -0.008490 -0.000441 -0.002663 -0.000352 -0.006964 -0.006143 29O 1py 0.018369 0.001321 -0.001042 0.002805 0.002961 0.006443 29O 2pz -0.053240 -0.005105 0.050269 -0.019824 0.078099 -0.004601 29O 2px 0.067227 0.003737 0.011264 0.008009 0.030551 0.031334 29O 2py -0.114350 -0.008064 0.008573 -0.016495 -0.016235 -0.040125 29O 3pz -0.011772 -0.000786 -0.010576 -0.012894 -0.067919 -0.004071 29O 3px 0.073536 0.005544 -0.041797 -0.019562 0.001099 0.013896 29O 3py -0.009734 0.001947 -0.012210 -0.011500 0.008005 -0.024095 29O 1dz2 -0.059334 -0.001714 0.020397 0.020765 0.041609 0.003784 29O 1dxz -0.001953 0.001248 -0.005726 -0.031439 -0.043698 -0.015017 29O 1dyz 0.003675 -0.006093 0.034526 -0.008031 0.026893 -0.001442 29O 1dx2y2 -0.035959 -0.000825 0.006096 -0.025137 -0.031741 0.034286 29O 1dxy 0.007910 0.004704 -0.021746 -0.021104 0.034230 0.016307 29O 2dz2 0.098703 0.004482 -0.031103 -0.006726 -0.047675 0.007449 29O 2dxz 0.029710 0.000212 0.012112 0.027982 0.055592 0.023636 29O 2dyz 0.006986 0.005516 -0.042470 0.013960 -0.042962 -0.000043 29O 2dx2y2 0.024045 0.000411 -0.001330 0.019166 0.031837 -0.029774 29O 2dxy -0.041109 -0.005797 0.014160 0.013747 -0.039774 -0.028029 29O 1f0 -0.070684 -0.005176 0.011216 -0.005294 -0.006646 -0.015311 29O 1f+1 0.034223 0.001960 -0.009838 0.001104 -0.006884 0.005665 29O 1f-1 -0.073761 -0.004057 0.022572 -0.003455 0.023363 -0.016502 29O 1f+2 0.033903 0.002265 -0.009051 0.005674 0.003697 0.004784 29O 1f-2 -0.032208 -0.001656 -0.009437 -0.008998 -0.043210 -0.017469 29O 1f+3 0.023294 0.001589 -0.002144 0.002376 0.011022 0.004549 29O 1f-3 0.021830 0.000294 0.007478 0.007867 0.022547 0.006224 30O 1s 0.000035 -0.000103 -0.000013 -0.000184 -0.000107 -0.000137 30O 2s -0.000276 -0.000299 -0.000808 -0.000380 0.000066 -0.000049 30O 3s 0.033357 0.001586 0.039649 0.000731 0.008903 -0.018148 30O 4s -0.285718 -0.009817 -0.070047 -0.041050 -0.191322 0.155191 30O 5s 0.061403 0.100526 -0.943058 0.250869 0.248733 -0.001332 30O 1pz 0.000707 -0.025686 -0.034560 -0.045749 -0.016514 0.043195 30O 1px -0.011770 -0.010555 0.039860 -0.021257 -0.024897 0.016954 30O 1py 0.010482 -0.018442 0.010706 -0.021676 0.041656 0.018953 30O 2pz 0.061786 0.091484 0.229786 0.169501 0.073836 -0.217897 30O 2px -0.009630 0.046694 -0.223571 0.108252 0.126677 -0.028228 30O 2py -0.121278 0.082171 -0.159036 0.103723 -0.187850 -0.050482 30O 3pz 0.181010 0.130464 0.102418 0.210218 0.257674 -0.064878 30O 3px -0.119834 0.052113 -0.300974 0.104856 0.020566 0.025402 30O 3py -0.208391 0.108013 0.016877 0.021469 -0.474293 -0.025859 30O 1dz2 -0.035444 0.165557 -0.013043 0.321163 0.000676 -0.324065 30O 1dxz -0.050183 -0.234525 -0.123627 -0.347373 -0.117972 0.201425 30O 1dyz 0.192900 0.003650 -0.062759 0.007212 0.175562 -0.004400 30O 1dx2y2 0.179376 -0.014014 0.115185 0.054572 0.155864 -0.153797 30O 1dxy 0.069792 -0.177589 -0.108853 -0.189511 0.295765 0.141757 30O 2dz2 0.000249 -0.212846 -0.009198 -0.398619 -0.056217 0.388151 30O 2dxz 0.030559 0.228026 0.187581 0.333234 0.054651 -0.224770 30O 2dyz -0.088948 0.015314 0.115893 0.038005 -0.055727 -0.060437 30O 2dx2y2 -0.034206 -0.002625 -0.115246 -0.027213 0.073218 0.099023 30O 2dxy -0.089680 0.196074 0.033041 0.229569 -0.283567 -0.168858 30O 1f0 0.027507 0.017919 -0.010476 0.034869 0.008669 -0.047000 30O 1f+1 -0.026909 -0.120315 -0.053097 -0.204358 -0.049343 0.186228 30O 1f-1 -0.023071 -0.097994 -0.050169 -0.162373 -0.045920 0.150430 30O 1f+2 -0.111221 0.047608 0.030560 0.030714 -0.209823 0.001106 30O 1f-2 0.013247 0.009196 0.061235 0.033464 0.058590 -0.021552 30O 1f+3 -0.108807 0.054054 0.001320 0.049445 -0.205733 -0.047647 30O 1f-3 -0.076801 -0.044400 0.001511 -0.087165 -0.102674 0.085957 31O 1s -0.000048 -0.000099 -0.000028 0.000174 0.000120 -0.000131 31O 2s 0.000238 -0.000500 0.000659 0.000349 -0.000062 -0.000089 31O 3s -0.033073 0.012581 -0.037400 -0.000422 -0.006701 -0.018799 31O 4s 0.286455 -0.030644 0.064792 0.040731 0.171861 0.177515 31O 5s -0.063279 -0.165559 0.932267 -0.249831 -0.245534 -0.027525 31O 1pz 0.000568 0.036043 -0.024977 -0.045235 -0.010609 -0.045017 31O 1px -0.012028 -0.000474 0.041299 -0.021203 -0.022515 -0.019815 31O 1py 0.010370 0.015136 0.016049 -0.021248 0.044090 -0.012636 31O 2pz 0.062620 -0.159176 0.190984 0.167608 0.044279 0.225784 31O 2px -0.008909 0.015078 -0.228419 0.108060 0.121535 0.044133 31O 2py -0.121037 -0.035740 -0.178283 0.102110 -0.194682 0.022310 31O 3pz 0.181324 -0.161447 0.059959 0.206046 0.250050 0.099069 31O 3px -0.119232 0.033290 -0.303884 0.103750 0.022516 -0.023925 31O 3py -0.208335 -0.107432 -0.016386 0.018060 -0.475617 -0.040193 31O 1dz2 0.033835 0.165233 0.065486 -0.318681 0.044658 -0.318588 31O 1dxz 0.051249 -0.271609 0.047092 0.340994 0.090278 0.214367 31O 1dyz -0.193808 -0.013379 0.059492 -0.007235 -0.176125 -0.027950 31O 1dx2y2 -0.180645 0.022143 -0.113327 -0.056016 -0.134626 -0.173736 31O 1dxy -0.069667 -0.206346 0.049906 0.184307 -0.314321 0.097473 31O 2dz2 0.001772 -0.219598 -0.058633 0.395062 0.002049 0.389303 31O 2dxz -0.031412 0.282862 -0.109881 -0.326903 -0.024046 -0.228830 31O 2dyz 0.089261 0.048706 -0.104935 -0.037690 0.064927 -0.052653 31O 2dx2y2 0.034552 -0.036131 0.108150 0.027423 -0.086634 0.087739 31O 2dxy 0.089276 0.203672 0.028678 -0.224333 0.306044 -0.125543 31O 1f0 0.027969 -0.015443 -0.015668 0.034798 0.002106 0.047261 31O 1f+1 -0.027812 0.137244 -0.013304 -0.201936 -0.023742 -0.190066 31O 1f-1 -0.023826 0.113605 -0.017542 -0.160292 -0.025128 -0.154338 31O 1f+2 -0.111809 -0.054385 0.014264 0.028858 -0.209458 -0.030575 31O 1f-2 0.013112 -0.027507 0.055415 0.033148 0.055219 0.029681 31O 1f+3 -0.108944 -0.052852 -0.015949 0.047900 -0.211944 0.018038 31O 1f-3 -0.077573 0.045430 0.014858 -0.086589 -0.090975 -0.098727 32O 1s -0.003572 0.000024 0.000716 -0.000247 -0.000360 0.000418 32O 2s -0.011732 0.000112 0.002314 -0.000831 -0.001222 0.001736 32O 3s 0.164192 -0.002558 -0.029857 0.013712 0.017611 -0.030758 32O 4s -0.393488 0.005942 0.074536 -0.030033 -0.044311 0.072022 32O 5s 0.156267 0.010963 -0.079388 -0.027210 0.025194 0.053073 32O 1pz 0.009011 0.002159 -0.011924 0.002056 -0.021248 -0.003290 32O 1px -0.008749 0.001220 -0.002307 -0.000111 -0.007185 0.005245 32O 1py 0.018607 -0.000969 -0.001768 0.002568 0.002832 -0.006068 32O 2pz -0.050487 -0.009328 0.049022 -0.019595 0.077332 0.012696 32O 2px 0.068495 -0.007156 0.009168 0.006933 0.032698 -0.027941 32O 2py -0.115276 0.005433 0.012075 -0.015433 -0.017658 0.038024 32O 3pz -0.011219 0.004408 -0.009736 -0.012873 -0.067271 -0.006333 32O 3px 0.073400 0.007300 -0.041423 -0.019369 0.003249 -0.014167 32O 3py -0.009173 0.002205 -0.013668 -0.011956 0.001265 0.024734 32O 1dz2 0.059682 0.005048 -0.019367 -0.021943 -0.042657 -0.001565 32O 1dxz 0.002224 -0.001914 0.006013 0.030459 0.044207 -0.009808 32O 1dyz -0.000528 0.004111 -0.035108 0.008848 -0.026778 -0.004927 32O 1dx2y2 0.036087 -0.000059 -0.006530 0.024903 0.026898 0.037152 32O 1dxy -0.007259 -0.002859 0.022597 0.021911 -0.033852 0.011574 32O 2dz2 -0.098859 -0.004833 0.029894 0.008383 0.046488 0.013315 32O 2dxz -0.030170 0.005118 -0.011843 -0.026550 -0.057320 0.017183 32O 2dyz -0.011574 -0.006791 0.042844 -0.015158 0.042995 0.005379 32O 2dx2y2 -0.024245 0.000963 0.001456 -0.018815 -0.028165 -0.032686 32O 2dxy 0.040045 -0.000614 -0.015909 -0.014950 0.040134 -0.022661 32O 1f0 -0.065992 0.002044 0.011107 -0.004224 -0.008567 0.013124 32O 1f+1 0.037103 0.000683 -0.010134 0.001217 -0.004991 -0.007598 32O 1f-1 -0.076510 -0.002462 0.023052 -0.002769 0.021452 0.020022 32O 1f+2 0.037357 0.000185 -0.009894 0.005965 0.004462 -0.005234 32O 1f-2 -0.030555 0.004807 -0.009073 -0.008151 -0.044421 0.011601 32O 1f+3 0.022097 -0.000705 -0.003080 0.001923 0.009687 -0.002867 32O 1f-3 0.021163 -0.002823 0.007112 0.007251 0.022307 -0.003322 33O 1s -0.000330 -0.000138 0.000120 0.000163 -0.000102 0.000149 33O 2s -0.001070 -0.000325 0.000377 -0.000394 0.000400 0.000519 33O 3s -0.011989 0.000201 0.006215 0.035215 -0.012847 -0.002335 33O 4s 0.275826 0.016344 -0.070006 -0.043505 0.010445 -0.044329 33O 5s -0.233802 0.032002 -0.174570 -0.975549 0.064361 0.101106 33O 1pz -0.007528 -0.027718 0.036857 0.008840 0.020957 -0.005318 33O 1px -0.021763 -0.014933 0.008121 -0.049028 -0.003496 0.000823 33O 1py -0.028833 0.039438 -0.023587 0.001697 0.031793 0.019794 33O 2pz 0.102141 0.120994 -0.189771 -0.164563 -0.067198 0.026089 33O 2px 0.047619 0.055596 -0.025443 0.290419 -0.047485 0.007845 33O 2py 0.145026 -0.155878 0.075281 -0.051298 -0.138771 -0.098537 33O 3pz 0.338801 0.152824 -0.277839 0.057367 -0.231213 -0.065347 33O 3px -0.128275 0.045501 0.055414 0.313675 0.003984 -0.030087 33O 3py 0.213673 -0.146397 0.043160 0.100864 -0.209061 0.001887 33O 1dz2 0.249816 -0.173481 0.091819 -0.079646 -0.109210 -0.191192 33O 1dxz 0.054443 0.160287 -0.184995 0.068083 -0.134365 -0.035520 33O 1dyz 0.231421 0.217041 -0.262034 0.132675 -0.075745 0.060293 33O 1dx2y2 -0.161077 0.147391 -0.024825 0.109445 0.145982 -0.017947 33O 1dxy 0.110276 -0.343553 0.266476 0.035836 -0.179590 -0.133921 33O 2dz2 -0.089978 0.246831 -0.212785 0.095538 0.028572 0.173723 33O 2dxz -0.056507 -0.159421 0.198748 0.030932 0.113765 0.019542 33O 2dyz -0.093360 -0.245558 0.235929 -0.128528 -0.004067 -0.095880 33O 2dx2y2 0.024178 -0.141984 0.070562 -0.167172 -0.048213 0.033165 33O 2dxy -0.202302 0.369048 -0.248265 -0.007518 0.237783 0.166510 33O 1f0 0.092518 0.102586 -0.117487 0.051450 -0.036830 0.028792 33O 1f+1 -0.101781 -0.147980 0.185842 -0.033959 0.080845 -0.037372 33O 1f-1 0.068578 -0.026229 -0.007020 0.008840 -0.066696 -0.034116 33O 1f+2 -0.111013 0.021984 0.006718 -0.046649 0.043501 0.027547 33O 1f-2 -0.147049 0.153603 -0.070330 0.037255 0.129710 0.084132 33O 1f+3 -0.127156 -0.029466 0.064769 -0.039521 0.062409 0.034003 33O 1f-3 -0.097154 0.124109 -0.070726 0.017652 0.090752 0.063561 34O 1s -0.000200 -0.000109 -0.000205 0.000061 -0.000582 0.000279 34O 2s -0.000744 -0.000548 0.000520 0.000099 -0.001842 0.000688 34O 3s 0.031754 0.011409 -0.038254 0.008712 0.050240 0.010555 34O 4s -0.310039 -0.014440 0.079793 -0.042011 -0.252975 -0.168126 34O 5s 0.374207 -0.163576 0.773809 -0.200092 -0.420934 0.059808 34O 1pz 0.020730 0.022977 0.013983 -0.039387 0.026308 -0.016459 34O 1px -0.019076 0.012886 -0.027370 0.001555 0.042866 -0.008252 34O 1py -0.014819 0.024239 -0.022203 -0.032914 -0.024326 -0.036254 34O 2pz -0.086653 -0.090146 -0.049527 0.150266 -0.143805 0.079808 34O 2px 0.008068 -0.079004 0.273320 -0.047997 -0.267925 -0.018866 34O 2py 0.086403 -0.087166 0.033285 0.161195 0.178395 0.175212 34O 3pz -0.101770 -0.103466 -0.212838 0.177012 -0.124722 -0.014423 34O 3px -0.192708 -0.045124 0.150325 -0.081726 -0.414164 -0.083848 34O 3py 0.225505 -0.150632 0.254762 0.106775 0.190885 0.090384 34O 1dz2 0.044030 -0.136564 0.001974 0.097223 -0.087649 -0.013013 34O 1dxz -0.072117 0.260745 0.027751 -0.421730 -0.032066 -0.305535 34O 1dyz 0.171699 -0.064747 0.189299 0.057496 0.124898 0.216684 34O 1dx2y2 0.128234 0.008373 0.083698 -0.044699 0.290304 -0.027515 34O 1dxy 0.154311 0.203257 -0.087339 -0.223029 0.187541 -0.086432 34O 2dz2 -0.037245 0.119052 -0.048948 -0.063736 0.113022 0.016378 34O 2dxz -0.039370 -0.279931 -0.069446 0.445087 -0.115970 0.280147 34O 2dyz -0.133327 0.077865 -0.159285 -0.082138 -0.095182 -0.200629 34O 2dx2y2 -0.050336 -0.064562 0.034812 0.074686 -0.254110 0.086617 34O 2dxy -0.018201 -0.230269 0.104086 0.294821 -0.003647 0.204471 34O 1f0 0.083143 0.072820 0.047414 -0.116144 0.126794 -0.039742 34O 1f+1 -0.031402 0.029714 -0.014041 -0.027630 0.030780 -0.025010 34O 1f-1 -0.028671 0.040509 -0.017745 -0.055731 -0.045494 -0.043448 34O 1f+2 -0.101400 -0.093979 -0.028050 0.128068 -0.154199 0.056003 34O 1f-2 0.026446 0.054897 0.010618 -0.077827 0.058006 -0.047419 34O 1f+3 -0.118122 0.089246 -0.082082 -0.115484 -0.069528 -0.163777 34O 1f-3 -0.098464 0.092370 -0.068858 -0.142168 -0.151533 -0.143083 35O 1s -0.000682 -0.000158 0.000491 0.000104 0.000594 0.000053 35O 2s -0.002465 -0.000534 0.001498 -0.000648 0.001987 0.000230 35O 3s 0.066172 0.008698 -0.026628 0.039853 -0.041277 -0.009550 35O 4s -0.421846 -0.040259 0.154290 -0.081619 0.143863 0.052591 35O 5s 0.117832 -0.001907 -0.067881 -0.857297 0.441058 0.106484 35O 1pz 0.035479 -0.021082 -0.000406 -0.024951 -0.033183 -0.032593 35O 1px 0.003499 -0.014201 0.008596 0.034402 -0.040026 -0.022072 35O 1py 0.004934 0.043393 -0.047446 0.013713 -0.018297 0.037975 35O 2pz -0.192572 0.081583 0.019527 0.046739 0.182226 0.144937 35O 2px -0.121625 0.052318 -0.025027 -0.282298 0.204205 0.111555 35O 2py -0.089475 -0.178543 0.206188 -0.142456 0.120483 -0.151519 35O 3pz -0.256223 0.065953 0.114161 0.286494 0.155939 0.031691 35O 3px -0.315041 0.037916 0.077982 -0.214614 0.279157 0.068953 35O 3py -0.213004 -0.196232 0.295073 0.039147 0.143818 -0.038507 35O 1dz2 -0.169702 0.031127 0.085133 0.087281 0.143183 -0.048253 35O 1dxz -0.073689 -0.209929 0.181042 -0.191949 -0.031210 -0.195755 35O 1dyz -0.211101 -0.140979 0.206298 0.071006 0.051621 0.008097 35O 1dx2y2 0.220124 -0.241828 0.140411 -0.009079 -0.208862 -0.300855 35O 1dxy -0.127146 0.338608 -0.290564 0.055686 0.012204 0.236685 35O 2dz2 0.125618 -0.002794 -0.081897 -0.010058 -0.134591 0.057444 35O 2dxz -0.127293 0.229151 -0.118428 0.197429 0.156298 0.263004 35O 2dyz 0.097122 0.118586 -0.141815 -0.049255 0.001803 0.020143 35O 2dx2y2 -0.137729 0.301325 -0.234394 -0.051867 0.182257 0.332737 35O 2dxy 0.054190 -0.373576 0.344391 -0.123635 0.043448 -0.268877 35O 1f0 0.150585 -0.049467 -0.022191 -0.044542 -0.112687 -0.093944 35O 1f+1 -0.089857 0.007781 0.026006 0.037233 0.022657 0.035948 35O 1f-1 -0.018659 0.065027 -0.051454 0.044160 0.003172 0.070843 35O 1f+2 -0.137539 0.093607 -0.021423 0.044964 0.102320 0.116881 35O 1f-2 -0.151779 0.039515 0.036680 0.045156 0.116886 0.070722 35O 1f+3 -0.075837 -0.221338 0.239234 -0.004088 0.016587 -0.180099 35O 1f-3 -0.029836 0.079138 -0.074554 0.043139 -0.028003 0.065758 714 715 716 717 718 719 6.79164 6.79315 6.84477 6.87031 6.87312 6.89107 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s -0.000035 -0.000004 -0.000014 0.000055 -0.000001 0.000079 0Rh 2s 0.000712 -0.000065 -0.000069 0.000135 0.000131 -0.000511 0Rh 3s 0.000202 -0.000060 -0.000129 0.000415 0.000070 0.000184 0Rh 4s -0.004406 0.000370 0.000326 -0.000563 -0.000815 0.003462 0Rh 5s 0.014128 -0.001298 -0.001132 0.003333 0.003035 -0.010364 0Rh 6s -0.026481 0.002965 0.002292 -0.014421 -0.007793 0.014242 0Rh 7s 0.111152 -0.006278 0.002957 0.081659 0.042394 -0.036840 0Rh 8s -0.042490 -0.006110 0.008190 -0.043646 -0.014440 0.037671 0Rh 1pz 0.041777 -0.025152 -0.000071 0.009581 0.041484 -0.001414 0Rh 1px 0.005845 -0.014993 0.000277 -0.008810 0.013590 0.001194 0Rh 1py 0.028234 0.034672 -0.000148 0.040433 -0.009358 -0.000445 0Rh 2pz -0.177451 0.106871 0.000302 -0.040664 -0.176088 0.006004 0Rh 2px -0.024821 0.063689 -0.001169 0.037398 -0.057683 -0.005056 0Rh 2py -0.119954 -0.147305 0.000625 -0.171609 0.039755 0.001911 0Rh 3pz 0.628943 -0.379407 -0.001056 0.143396 0.621405 -0.021196 0Rh 3px 0.087679 -0.225795 0.004004 -0.132035 0.203444 0.017458 0Rh 3py 0.425526 0.522655 -0.002174 0.605292 -0.140854 -0.007243 0Rh 4pz -0.924543 0.558765 0.001544 -0.209450 -0.909269 0.030845 0Rh 4px -0.127079 0.331837 -0.005522 0.193407 -0.297076 -0.023835 0Rh 4py -0.625476 -0.769005 0.003093 -0.884861 0.207064 0.012555 0Rh 5pz 0.594939 -0.358372 -0.001312 0.136960 0.600641 -0.020137 0Rh 5px 0.075295 -0.212502 0.003349 -0.127161 0.194940 0.012291 0Rh 5py 0.398105 0.492856 -0.001929 0.583627 -0.135837 -0.014205 0Rh 6pz 0.242079 -0.145001 0.017347 0.085465 0.364558 0.013912 0Rh 6px 0.072635 -0.089894 -0.013851 -0.068148 0.116995 -0.011966 0Rh 6py 0.197623 0.224754 0.007711 0.378826 -0.060102 0.069791 0Rh 1dz2 -0.003150 -0.000673 -0.000054 -0.000440 0.001221 -0.005190 0Rh 1dxz 0.002298 -0.003147 -0.000138 -0.001186 -0.002833 -0.002423 0Rh 1dyz -0.000275 0.001039 0.000086 0.000826 -0.000943 0.002449 0Rh 1dx2y2 -0.000025 -0.003056 -0.000168 0.001525 -0.000611 -0.003339 0Rh 1dxy 0.002267 0.002732 0.000030 -0.003079 0.000087 -0.000404 0Rh 2dz2 0.000685 0.000026 -0.000009 -0.000345 -0.001446 0.000544 0Rh 2dxz -0.000569 0.000879 0.000073 0.000485 0.002529 0.000396 0Rh 2dyz 0.000140 -0.000787 0.000053 -0.000912 0.000739 0.000014 0Rh 2dx2y2 0.000257 0.000691 0.000020 -0.000534 0.001007 -0.000267 0Rh 2dxy -0.000347 -0.000749 -0.000001 0.003186 -0.000182 -0.000101 0Rh 3dz2 0.015273 0.003770 0.000341 0.004450 0.000386 0.028053 0Rh 3dxz -0.011017 0.014256 0.000419 0.004491 0.003501 0.012382 0Rh 3dyz 0.000869 -0.001829 -0.000795 -0.000121 0.001703 -0.014698 0Rh 3dx2y2 -0.001198 0.014723 0.000930 -0.006213 -0.001702 0.021270 0Rh 3dxy -0.011918 -0.012523 -0.000162 0.001535 0.000481 0.002937 0Rh 4dz2 -0.042932 -0.009637 -0.000705 -0.014429 -0.007628 -0.076617 0Rh 4dxz 0.032839 -0.039148 -0.000653 -0.010634 0.001256 -0.033379 0Rh 4dyz -0.001792 -0.000628 0.002553 -0.003633 -0.001591 0.041799 0Rh 4dx2y2 0.004814 -0.041613 -0.002972 0.015180 0.009509 -0.060894 0Rh 4dxy 0.035768 0.035304 0.000375 0.009458 -0.002528 -0.008796 0Rh 5dz2 0.092715 0.013431 -0.001223 0.039217 0.038744 0.127652 0Rh 5dxz -0.075851 0.076792 -0.001123 0.017143 -0.037428 0.052931 0Rh 5dyz 0.006067 0.038266 -0.007939 0.026297 -0.005818 -0.075221 0Rh 5dx2y2 -0.021544 0.088154 0.007712 -0.026728 -0.036761 0.116317 0Rh 5dxy -0.085847 -0.071272 -0.001343 -0.064028 0.008784 0.021292 0Rh 1f0 0.004445 0.029520 -0.000455 0.008365 -0.005509 -0.000136 0Rh 1f+1 0.006628 0.002747 0.000266 0.004191 0.008175 -0.000047 0Rh 1f-1 0.053613 0.005076 -0.000099 0.016384 0.011012 -0.000725 0Rh 1f+2 -0.023980 0.036012 0.000056 0.002402 -0.020903 0.000036 0Rh 1f-2 0.018552 0.022038 0.000074 0.014816 -0.006675 -0.000383 0Rh 1f+3 0.007380 -0.024615 0.000437 -0.006484 0.013241 -0.000574 0Rh 1f-3 0.000005 0.007386 0.000136 0.011355 -0.002416 -0.000514 1Rh 1s -0.000024 0.000004 0.000016 0.000055 0.000003 -0.000078 1Rh 2s 0.000603 -0.000138 0.000049 0.000127 0.000127 0.000497 1Rh 3s 0.000208 -0.000059 0.000129 0.000412 0.000090 -0.000185 1Rh 4s -0.003707 0.000837 -0.000199 -0.000514 -0.000773 -0.003376 1Rh 5s 0.012048 -0.002682 0.000742 0.003179 0.002933 0.010083 1Rh 6s -0.023538 0.004912 -0.001668 -0.014149 -0.007809 -0.013713 1Rh 7s 0.105276 -0.010608 -0.005182 0.080540 0.042930 0.034440 1Rh 8s -0.042200 -0.006027 -0.007348 -0.043944 -0.014196 -0.037142 1Rh 1pz -0.041690 0.025005 0.000047 -0.009625 -0.041561 -0.000711 1Rh 1px -0.005881 0.014899 0.000308 0.008794 -0.013593 0.001400 1Rh 1py -0.028367 -0.034626 -0.000115 -0.040402 0.009395 -0.000707 1Rh 2pz 0.177084 -0.106244 -0.000201 0.040851 0.176416 0.003019 1Rh 2px 0.024975 -0.063291 -0.001300 -0.037329 0.057697 -0.005931 1Rh 2py 0.120520 0.147109 0.000484 0.171476 -0.039912 0.003024 1Rh 3pz -0.627671 0.377135 0.000728 -0.144092 -0.622574 -0.010628 1Rh 3px -0.088227 0.224391 0.004455 0.131795 -0.203566 0.020548 1Rh 3py -0.427561 -0.521933 -0.001653 -0.604823 0.141405 -0.011196 1Rh 4pz 0.922716 -0.555216 -0.001094 0.210595 0.910980 0.015306 1Rh 4px 0.127892 -0.329785 -0.006144 -0.193091 0.297554 -0.028331 1Rh 4py 0.628604 0.767843 0.002279 0.884158 -0.207859 0.018387 1Rh 5pz -0.593719 0.355481 0.000491 -0.138043 -0.601760 -0.009813 1Rh 5px -0.075914 0.211105 0.003659 0.127028 -0.195957 0.015113 1Rh 5py -0.400515 -0.491854 -0.001369 -0.583077 0.136396 -0.018037 1Rh 6pz -0.241526 0.147483 0.017340 -0.081718 -0.363196 0.021143 1Rh 6px -0.069206 0.090846 -0.012921 0.068677 -0.115266 -0.008426 1Rh 6py -0.198403 -0.225115 0.007463 -0.379695 0.057918 0.066987 1Rh 1dz2 -0.003134 -0.000627 0.000037 -0.000477 0.001272 0.005174 1Rh 1dxz 0.002325 -0.003153 0.000122 -0.001160 -0.002830 0.002463 1Rh 1dyz -0.000124 0.001157 -0.000082 0.000757 -0.000975 -0.002423 1Rh 1dx2y2 0.000094 -0.003067 0.000175 0.001527 -0.000537 0.003349 1Rh 1dxy 0.002296 0.002800 -0.000036 -0.003088 0.000053 0.000384 1Rh 2dz2 0.000632 -0.000035 0.000021 -0.000317 -0.001467 -0.000519 1Rh 2dxz -0.000575 0.000901 -0.000065 0.000481 0.002507 -0.000427 1Rh 2dyz -0.000059 -0.000955 -0.000052 -0.000858 0.000732 -0.000027 1Rh 2dx2y2 0.000166 0.000661 -0.000027 -0.000553 0.001047 0.000246 1Rh 2dxy -0.000413 -0.000836 0.000005 0.003188 -0.000141 0.000114 1Rh 3dz2 0.015463 0.003815 -0.000302 0.004521 0.000194 -0.028092 1Rh 3dxz -0.011148 0.014176 -0.000362 0.004352 0.003598 -0.012458 1Rh 3dyz 0.001034 -0.001633 0.000764 0.000003 0.001932 0.014605 1Rh 3dx2y2 -0.001423 0.014953 -0.000934 -0.006119 -0.002357 -0.021224 1Rh 3dxy -0.011736 -0.012462 0.000178 0.001577 0.000464 -0.002896 1Rh 4dz2 -0.043792 -0.010073 0.000649 -0.014502 -0.007232 0.076853 1Rh 4dxz 0.033234 -0.038769 0.000519 -0.010225 0.000826 0.033438 1Rh 4dyz -0.003340 -0.002092 -0.002446 -0.003753 -0.002254 -0.041582 1Rh 4dx2y2 0.005002 -0.042492 0.002948 0.014827 0.011610 0.060663 1Rh 4dxy 0.034858 0.034662 -0.000410 0.009345 -0.002290 0.008746 1Rh 5dz2 0.096236 0.015749 0.001059 0.038648 0.039175 -0.128656 1Rh 5dxz -0.077014 0.074929 0.001225 0.016037 -0.035288 -0.052473 1Rh 5dyz 0.014710 0.045761 0.007534 0.025348 -0.004579 0.074912 1Rh 5dx2y2 -0.019927 0.091492 -0.007465 -0.025550 -0.042642 -0.115409 1Rh 5dxy -0.081824 -0.067594 0.001380 -0.063830 0.007389 -0.021415 1Rh 1f0 -0.004566 -0.029528 -0.000415 -0.008352 0.005505 -0.000284 1Rh 1f+1 -0.006515 -0.002706 0.000277 -0.004188 -0.008174 0.000127 1Rh 1f-1 -0.053825 -0.005302 0.000018 -0.016386 -0.011045 -0.000532 1Rh 1f+2 0.023844 -0.035995 -0.000006 -0.002379 0.020943 -0.000415 1Rh 1f-2 -0.018332 -0.021755 0.000104 -0.014836 0.006648 -0.000578 1Rh 1f+3 -0.007401 0.024441 0.000438 0.006490 -0.013248 -0.000267 1Rh 1f-3 -0.000268 -0.007546 0.000144 -0.011346 0.002395 -0.000586 2C 1s 0.000398 0.000389 -0.000132 0.000418 0.000672 -0.000054 2C 2s 0.000004 0.000288 -0.000124 0.000452 0.000745 -0.000072 2C 3s 0.028228 0.013005 -0.003315 0.010179 0.009072 0.000951 2C 4s -0.142445 -0.078963 0.028664 -0.048534 -0.057181 0.004898 2C 5s 0.118801 -0.023332 0.025236 -0.153116 -0.128263 0.058077 2C 1pz 0.002352 0.005384 -0.002957 -0.003038 0.000771 -0.004378 2C 1px -0.006921 0.001614 0.000993 0.007392 0.005234 0.001419 2C 1py -0.003164 -0.006180 0.003581 0.005560 -0.001811 0.005582 2C 2pz -0.105625 -0.072302 0.048145 0.037272 -0.011180 0.041474 2C 2px 0.156032 -0.003117 -0.032166 -0.073316 -0.016693 -0.039382 2C 2py 0.006152 0.041612 -0.033160 -0.049643 0.020825 -0.052844 2C 3pz 0.010055 -0.016909 0.041320 0.003185 -0.032304 0.019035 2C 3px 0.016458 0.011117 -0.016047 -0.051008 -0.028402 0.005201 2C 3py 0.005634 0.000294 -0.044092 -0.054874 0.005434 -0.001613 2C 1dz2 -0.041355 0.007633 -0.005278 -0.022838 -0.016166 -0.005916 2C 1dxz 0.070385 -0.007254 0.009666 0.039442 0.026885 0.008954 2C 1dyz -0.012346 -0.006207 0.005932 -0.000011 -0.008293 0.003555 2C 1dx2y2 -0.000375 -0.002153 0.007412 0.005190 -0.007094 0.006371 2C 1dxy 0.051312 0.004004 -0.012146 0.014164 0.034798 -0.010056 2C 2dz2 -0.100635 0.002711 0.000227 -0.006150 -0.005615 -0.001850 2C 2dxz 0.174605 0.012145 -0.022155 0.019268 0.061138 -0.016962 2C 2dyz -0.032485 0.015510 -0.030012 -0.043068 0.011752 -0.036675 2C 2dx2y2 -0.008125 0.057102 -0.075671 -0.088930 0.022593 -0.072295 2C 2dxy 0.117197 -0.088992 0.094739 0.093660 -0.045171 0.091601 2C 1f0 -0.090887 0.020259 -0.015753 -0.046175 -0.028674 -0.012973 2C 1f+1 0.070272 -0.011070 0.007704 0.030511 0.024027 0.004169 2C 1f-1 -0.034575 -0.005995 0.003871 -0.008453 -0.012833 0.000234 2C 1f+2 0.048854 -0.002024 0.002155 0.018799 0.018142 0.001936 2C 1f-2 0.105767 -0.007693 0.000648 0.040343 0.041117 0.004561 2C 1f+3 0.054531 0.011092 -0.006372 0.015445 0.023482 -0.000881 2C 1f-3 -0.029477 -0.001527 -0.001822 -0.015460 -0.013651 -0.002050 3C 1s -0.000029 -0.000791 -0.000116 -0.000596 0.000388 0.000054 3C 2s -0.000028 -0.000408 -0.000140 -0.000703 0.000438 0.000058 3C 3s 0.004421 -0.026348 0.000436 -0.003959 0.003424 0.000000 3C 4s -0.037390 0.133881 0.004790 0.029097 -0.018153 -0.006009 3C 5s 0.018391 -0.076495 0.006061 0.092483 -0.057907 -0.047385 3C 1pz 0.000387 0.002586 0.001125 0.003996 -0.000938 -0.002022 3C 1px -0.002881 0.009301 0.004122 -0.001218 0.008979 -0.006873 3C 1py -0.002569 0.003154 0.002049 0.000410 0.003422 -0.003977 3C 2pz -0.017677 0.044621 0.001325 -0.025568 0.014388 0.004037 3C 2px 0.052621 -0.166871 -0.076974 -0.030268 -0.091994 0.097144 3C 2py 0.068001 -0.071377 -0.029829 0.001336 -0.044444 0.040533 3C 3pz 0.016043 0.022360 -0.017049 -0.009723 -0.002759 -0.005482 3C 3px 0.029695 -0.010284 -0.054394 0.008984 -0.069421 0.014721 3C 3py 0.012176 0.011474 -0.031958 -0.028145 -0.015117 0.018253 3C 1dz2 -0.004356 0.023170 0.006934 0.017680 -0.007721 -0.006631 3C 1dxz 0.007117 -0.035853 -0.010927 -0.029107 0.013353 0.010086 3C 1dyz -0.001712 -0.037088 0.002278 -0.016431 0.021038 -0.002386 3C 1dx2y2 0.001503 -0.033248 -0.000238 -0.019368 0.020077 0.000289 3C 1dxy 0.010874 0.057351 -0.011504 0.022164 -0.043696 0.010543 3C 2dz2 0.035763 0.043618 -0.039823 -0.020310 -0.047717 0.041193 3C 2dxz -0.103319 -0.085244 0.117824 0.043115 0.153388 -0.122020 3C 2dyz 0.003138 -0.087687 0.012335 -0.008342 0.035068 -0.010909 3C 2dx2y2 -0.018866 -0.077284 0.025955 0.020209 0.027262 -0.024932 3C 2dxy -0.015269 0.150567 0.035317 0.056801 -0.002655 -0.042182 3C 1f0 -0.005777 0.014371 0.006367 0.007953 -0.000593 -0.003298 3C 1f+1 0.010753 0.026909 -0.006876 0.011716 -0.019968 0.003155 3C 1f-1 0.007285 -0.040084 -0.005343 -0.019704 0.015149 0.003957 3C 1f+2 -0.002755 -0.084752 -0.000067 -0.032716 0.035847 -0.000601 3C 1f-2 -0.003319 0.042070 0.001380 0.019970 -0.023443 0.000731 3C 1f+3 -0.016048 -0.073379 0.012742 -0.025828 0.047626 -0.007783 3C 1f-3 -0.010118 -0.095839 0.011555 -0.037226 0.058761 -0.009539 4C 1s -0.000825 0.000077 -0.000294 -0.001537 -0.000440 -0.000101 4C 2s -0.001403 0.000615 -0.000602 -0.002812 -0.000684 0.000410 4C 3s -0.037738 -0.032025 0.003633 -0.033202 -0.024277 -0.024687 4C 4s 0.224790 0.124092 0.007336 0.260734 0.121524 0.095785 4C 5s -0.022315 0.036231 0.018465 0.146327 0.091042 0.005187 4C 1pz 0.022478 -0.000886 -0.000712 -0.010040 -0.010956 -0.001670 4C 1px -0.050261 0.008529 -0.000121 0.046174 0.043137 -0.001322 4C 1py -0.006835 -0.001158 0.000628 0.011712 0.009296 -0.001591 4C 2pz -0.118585 0.061056 0.019232 0.027033 -0.021930 0.027724 4C 2px 0.439894 0.032488 0.009644 0.150988 0.144011 -0.010994 4C 2py 0.044575 -0.118748 0.011880 0.062132 0.046143 0.007292 4C 3pz 0.047264 -0.017411 0.013621 -0.112095 -0.094895 0.048833 4C 3px -0.025786 0.009716 0.006853 0.220322 0.226613 -0.021380 4C 3py 0.030268 0.016763 0.039791 0.035399 0.010567 0.036655 4C 1dz2 0.075470 0.051054 -0.046961 -0.014897 0.058913 -0.039587 4C 1dxz -0.120057 -0.032626 0.062882 -0.001030 -0.094163 0.052989 4C 1dyz 0.000904 -0.053780 0.056373 0.045247 -0.038340 0.049528 4C 1dx2y2 -0.001196 -0.035137 0.070283 0.063007 -0.050333 0.062685 4C 1dxy -0.080465 0.097106 -0.117231 -0.116076 0.052496 -0.103863 4C 2dz2 -0.171262 0.152916 -0.144807 -0.060656 0.131008 -0.110325 4C 2dxz 0.337023 -0.140230 0.180714 0.055162 -0.202498 0.133170 4C 2dyz 0.020151 -0.105227 0.154320 0.145045 -0.091865 0.127508 4C 2dx2y2 0.038357 -0.127950 0.218030 0.184572 -0.129863 0.185148 4C 2dxy 0.282936 0.227042 -0.329078 -0.273473 0.192156 -0.252972 4C 1f0 0.232359 0.073445 -0.113891 0.042916 0.210364 -0.080242 4C 1f+1 -0.249921 -0.111506 0.111480 -0.057636 -0.213964 0.068966 4C 1f-1 0.077256 -0.056743 0.075118 0.102618 0.001885 0.052849 4C 1f+2 -0.132704 -0.013938 0.057183 -0.022414 -0.110219 0.045007 4C 1f-2 -0.270803 0.117820 -0.084407 -0.222508 -0.121489 -0.063416 4C 1f+3 -0.225673 0.070498 -0.142544 -0.212460 -0.021563 -0.103298 4C 1f-3 -0.012343 0.075186 -0.040650 -0.034952 0.016751 -0.030252 5C 1s -0.000314 0.000545 0.000161 -0.000914 -0.000580 -0.000235 5C 2s -0.000407 0.000612 0.000353 -0.001875 -0.001260 -0.000783 5C 3s -0.014194 0.041225 -0.006176 0.001736 -0.013262 0.015661 5C 4s 0.092141 -0.208072 0.011367 0.094263 0.099713 -0.036668 5C 5s 0.043094 0.006609 -0.025992 0.000844 0.053509 -0.012737 5C 1pz 0.003265 -0.015767 -0.001953 0.015566 -0.011085 0.003415 5C 1px 0.000721 0.052367 0.002593 -0.041985 0.037556 -0.005012 5C 1py -0.002531 0.013907 0.002055 -0.010025 0.004487 -0.003049 5C 2pz 0.063875 0.285707 -0.008568 0.063412 -0.044574 0.010908 5C 2px -0.004105 -0.361580 0.010409 -0.129346 0.165868 -0.040141 5C 2py 0.067309 0.052275 -0.011206 -0.037499 -0.022943 0.003076 5C 3pz 0.014352 -0.053623 0.004904 0.114373 -0.065886 -0.022581 5C 3px 0.008615 0.024501 0.012938 -0.193785 0.217080 -0.035690 5C 3py -0.056618 0.014385 0.024018 -0.091558 0.042916 0.041106 5C 1dz2 -0.045143 0.001741 0.066709 0.034731 0.068309 -0.064946 5C 1dxz 0.092247 0.059040 -0.109925 -0.067830 -0.119519 0.104451 5C 1dyz -0.009738 0.036817 0.006546 0.023185 -0.019176 -0.008526 5C 1dx2y2 0.016941 0.078494 -0.006208 0.032228 -0.032182 0.003529 5C 1dxy 0.075908 -0.111773 -0.092875 -0.113038 -0.021319 0.093206 5C 2dz2 -0.126123 0.201246 0.190243 0.116670 0.146898 -0.160149 5C 2dxz 0.253865 -0.160201 -0.328254 -0.204812 -0.292209 0.291415 5C 2dyz -0.053493 -0.147860 0.018315 0.026530 -0.012796 -0.011595 5C 2dx2y2 0.011303 -0.164841 -0.011769 0.026345 -0.022691 0.000528 5C 2dxy 0.196897 0.314113 -0.267213 -0.254124 -0.171948 0.231766 5C 1f0 -0.106497 -0.096438 0.113917 0.033544 0.130689 -0.087497 5C 1f+1 0.058902 -0.042775 -0.105327 -0.070946 -0.087934 0.085919 5C 1f-1 0.039521 0.062474 -0.068123 0.027147 -0.131073 0.052506 5C 1f+2 0.074011 0.298951 -0.055094 0.119989 -0.210682 0.038542 5C 1f-2 -0.069668 -0.127067 0.078897 -0.034167 0.151935 -0.060474 5C 1f+3 -0.110289 0.260316 0.137006 0.250461 -0.062647 -0.107720 5C 1f-3 -0.044812 0.183314 0.036335 0.181444 -0.137225 -0.031647 6C 1s -0.000339 0.000573 -0.000163 -0.000911 -0.000542 0.000256 6C 2s -0.000444 0.000620 -0.000359 -0.001901 -0.001191 0.000822 6C 3s -0.016356 0.043559 0.006382 0.003238 -0.013510 -0.015211 6C 4s 0.103733 -0.219874 -0.012084 0.088788 0.097886 0.033356 6C 5s 0.041526 0.007093 0.025504 -0.002190 0.052232 0.011219 6C 1pz -0.002990 0.016110 -0.001989 -0.015666 0.011419 0.003503 6C 1px -0.002043 -0.053231 0.002719 0.042080 -0.038259 -0.005047 6C 1py 0.002510 -0.014154 0.002058 0.010095 -0.004729 -0.003148 6C 2pz -0.061080 -0.282891 -0.009303 -0.062971 0.046387 0.010401 6C 2px -0.004469 0.354748 0.010325 0.130305 -0.169389 -0.036815 6C 2py -0.068287 -0.053101 -0.011448 0.036600 0.022277 0.003001 6C 3pz -0.014635 0.056846 0.006324 -0.114199 0.065867 -0.022470 6C 3px -0.012453 -0.025689 0.013870 0.195561 -0.218435 -0.030851 6C 3py 0.058971 -0.018384 0.022564 0.090659 -0.043195 0.039531 6C 1dz2 -0.045306 0.002137 -0.066754 0.034927 0.069204 0.063993 6C 1dxz 0.091799 0.058738 0.109910 -0.067806 -0.120485 -0.102537 6C 1dyz -0.010339 0.036541 -0.006548 0.023101 -0.018685 0.008983 6C 1dx2y2 0.016621 0.077457 0.006430 0.031961 -0.032210 -0.003047 6C 1dxy 0.077003 -0.110807 0.092597 -0.112780 -0.023336 -0.093304 6C 2dz2 -0.128720 0.201254 -0.190027 0.117490 0.149208 0.158622 6C 2dxz 0.255874 -0.158800 0.328057 -0.204087 -0.295921 -0.287383 6C 2dyz -0.053989 -0.144817 -0.017958 0.027116 -0.012382 0.011930 6C 2dx2y2 0.012869 -0.163203 0.012342 0.025245 -0.022998 -0.001093 6C 2dxy 0.192981 0.312177 0.266401 -0.254021 -0.174500 -0.228386 6C 1f0 0.105595 0.095035 0.114022 -0.033710 -0.131844 -0.085470 6C 1f+1 -0.058559 0.042787 -0.105029 0.070850 0.088806 0.084372 6C 1f-1 -0.037463 -0.060565 -0.068071 -0.027043 0.131309 0.050242 6C 1f+2 -0.069413 -0.294567 -0.055504 -0.119781 0.210509 0.034780 6C 1f-2 0.066988 0.125079 0.079087 0.034256 -0.152205 -0.058055 6C 1f+3 0.115480 -0.256648 0.136607 -0.250548 0.060338 -0.109641 6C 1f-3 0.048922 -0.178573 0.036016 -0.180682 0.136019 -0.034281 7C 1s -0.000824 0.000113 0.000290 -0.001535 -0.000471 0.000110 7C 2s -0.001405 0.000663 0.000593 -0.002822 -0.000769 -0.000382 7C 3s -0.037584 -0.030971 -0.003170 -0.032986 -0.022853 0.024815 7C 4s 0.224021 0.118042 -0.009282 0.259744 0.117612 -0.097374 7C 5s -0.024510 0.033810 -0.018757 0.146474 0.093427 -0.006438 7C 1pz -0.022899 0.000545 -0.000627 0.009833 0.010952 -0.001639 7C 1px 0.051528 -0.007193 -0.000151 -0.045802 -0.043519 -0.000910 7C 1py 0.007062 0.001472 0.000697 -0.011717 -0.009405 -0.001445 7C 2pz 0.115839 -0.061650 0.017782 -0.027487 0.021592 0.026448 7C 2px -0.436931 -0.023743 0.010273 -0.149166 -0.147356 -0.008589 7C 2py -0.040595 0.119526 0.011498 -0.061755 -0.047657 0.007525 7C 3pz -0.047863 0.017943 0.013784 0.113393 0.097433 0.045311 7C 3px 0.028516 -0.006683 0.005405 -0.219989 -0.228608 -0.018552 7C 3py -0.029384 -0.015569 0.039981 -0.035167 -0.009516 0.035651 7C 1dz2 0.075569 0.050939 0.046870 -0.014917 0.059157 0.038666 7C 1dxz -0.119328 -0.032363 -0.062563 -0.001066 -0.094576 -0.051403 7C 1dyz 0.000812 -0.053583 -0.056274 0.045455 -0.039184 -0.048799 7C 1dx2y2 -0.000832 -0.035473 -0.070087 0.063102 -0.051084 -0.061747 7C 1dxy -0.080243 0.097222 0.117250 -0.116746 0.054674 0.102795 7C 2dz2 -0.168989 0.152940 0.143918 -0.060620 0.131800 0.107266 7C 2dxz 0.336272 -0.141455 -0.180988 0.055337 -0.204860 -0.130348 7C 2dyz 0.019016 -0.105103 -0.154622 0.145298 -0.094739 -0.125962 7C 2dx2y2 0.037740 -0.129029 -0.216714 0.184276 -0.132075 -0.181471 7C 2dxy 0.284166 0.225486 0.328318 -0.274247 0.197046 0.249228 7C 1f0 -0.229606 -0.071330 -0.113200 -0.042416 -0.210611 -0.076874 7C 1f+1 0.248069 0.109212 0.111173 0.057081 0.214393 0.065909 7C 1f-1 -0.076726 0.057223 0.074827 -0.102865 -0.001138 0.052407 7C 1f+2 0.130665 0.012797 0.056452 0.022417 0.110310 0.042880 7C 1f-2 0.267214 -0.119736 -0.084540 0.222849 0.119862 -0.064472 7C 1f+3 0.225379 -0.073232 -0.142968 0.213537 0.019553 -0.103512 7C 1f-3 0.011588 -0.075493 -0.041219 0.035418 -0.017622 -0.030257 8C 1s -0.000003 -0.000786 0.000113 -0.000612 0.000395 -0.000065 8C 2s -0.000009 -0.000399 0.000138 -0.000722 0.000447 -0.000068 8C 3s 0.005394 -0.026882 -0.000475 -0.004136 0.003502 -0.000184 8C 4s -0.043271 0.137136 -0.004435 0.030160 -0.018381 0.007013 8C 5s 0.022728 -0.082603 -0.007498 0.093394 -0.058149 0.045942 8C 1pz -0.000305 -0.002597 0.001193 -0.004095 0.000849 -0.002178 8C 1px 0.002934 -0.009163 0.004067 0.001286 -0.009052 -0.006656 8C 1py 0.002649 -0.003128 0.002066 -0.000412 -0.003503 -0.003963 8C 2pz 0.017683 -0.045774 0.000195 0.026526 -0.013947 0.005457 8C 2px -0.051849 0.164230 -0.075728 0.028885 0.092603 0.094472 8C 2py -0.070655 0.073721 -0.029661 -0.001318 0.045627 0.040365 8C 3pz -0.016595 -0.021674 -0.017997 0.010473 0.003511 -0.004902 8C 3px -0.030165 0.010472 -0.053476 -0.009735 0.069241 0.013516 8C 3py -0.011829 -0.012387 -0.032726 0.028432 0.015562 0.017644 8C 1dz2 -0.004779 0.022694 -0.006949 0.017618 -0.007458 0.006861 8C 1dxz 0.007806 -0.035071 0.010957 -0.029068 0.012976 -0.010472 8C 1dyz -0.001026 -0.036791 -0.002304 -0.016506 0.021004 0.001964 8C 1dx2y2 0.002152 -0.032810 0.000241 -0.019373 0.019863 -0.000758 8C 1dxy 0.010014 0.056499 0.011528 0.022154 -0.043692 -0.009719 8C 2dz2 0.034407 0.042473 0.038859 -0.020201 -0.046759 -0.039528 8C 2dxz -0.101143 -0.083118 -0.117087 0.042651 0.154124 0.118893 8C 2dyz 0.005825 -0.087746 -0.012007 -0.008957 0.034759 0.009623 8C 2dx2y2 -0.017390 -0.076569 -0.025769 0.020682 0.026536 0.024222 8C 2dxy -0.017708 0.148305 -0.035525 0.057254 -0.001869 0.042778 8C 1f0 0.005941 -0.014479 0.006330 -0.008186 0.000817 -0.003322 8C 1f+1 -0.010080 -0.026446 -0.006836 -0.011731 0.019890 0.002741 8C 1f-1 -0.008094 0.039694 -0.005416 0.019818 -0.014915 0.004403 8C 1f+2 0.001207 0.083626 -0.000076 0.032790 -0.035577 0.000246 8C 1f-2 0.003996 -0.041090 0.001344 -0.019789 0.023172 0.000303 8C 1f+3 0.014727 0.071764 0.012577 0.025746 -0.047080 -0.006676 8C 1f-3 0.008176 0.094509 0.011516 0.037330 -0.058568 -0.008314 9C 1s 0.000393 0.000355 0.000121 0.000435 0.000673 0.000039 9C 2s -0.000010 0.000256 0.000115 0.000470 0.000751 0.000057 9C 3s 0.028536 0.012526 0.003015 0.010313 0.008712 -0.001307 9C 4s -0.143556 -0.076026 -0.026366 -0.049677 -0.054949 -0.002266 9C 5s 0.121321 -0.023319 -0.024609 -0.155735 -0.133013 -0.054129 9C 1pz -0.002366 -0.005425 -0.002926 0.003040 -0.000824 -0.004341 9C 1px 0.006881 -0.001774 0.000804 -0.007191 -0.005384 0.001197 9C 1py 0.003183 0.006151 0.003634 -0.005625 0.001930 0.005627 9C 2pz 0.105754 0.072262 0.046257 -0.036993 0.009685 0.039985 9C 2px -0.155679 0.006333 -0.028496 0.069932 0.018799 -0.035302 9C 2py -0.005813 -0.041477 -0.033973 0.049473 -0.022942 -0.053246 9C 3pz -0.010163 0.016665 0.040918 -0.002821 0.032908 0.017819 9C 3px -0.016484 -0.009947 -0.012717 0.049063 0.030795 0.005415 9C 3py -0.006108 -0.000624 -0.044466 0.055662 -0.005240 -0.001792 9C 1dz2 -0.040924 0.007901 0.005359 -0.022818 -0.015882 0.006095 9C 1dxz 0.069981 -0.007807 -0.009735 0.039573 0.026671 -0.009249 9C 1dyz -0.012382 -0.006075 -0.005887 0.000012 -0.008313 -0.003449 9C 1dx2y2 -0.000354 -0.002067 -0.007444 0.005210 -0.007304 -0.006320 9C 1dxy 0.050766 0.003660 0.012097 0.014030 0.034796 0.009616 9C 2dz2 -0.099968 0.002690 -0.000054 -0.005976 -0.005093 0.001847 9C 2dxz 0.173925 0.012466 0.023906 0.018637 0.063338 0.017957 9C 2dyz -0.032378 0.015148 0.029583 -0.042164 0.012627 0.035768 9C 2dx2y2 -0.007867 0.057790 0.074957 -0.088607 0.023206 0.071060 9C 2dxy 0.115750 -0.088311 -0.092931 0.091503 -0.046779 -0.088898 9C 1f0 0.089367 -0.020952 -0.015751 0.045828 0.027944 -0.013107 9C 1f+1 -0.068781 0.011374 0.007571 -0.029912 -0.023463 0.004213 9C 1f-1 0.034795 0.005562 0.003660 0.008709 0.012757 -0.000073 9C 1f+2 -0.048320 0.002290 0.001997 -0.018625 -0.018072 0.001934 9C 1f-2 -0.105462 0.008190 0.000615 -0.040566 -0.041303 0.004849 9C 1f+3 -0.055321 -0.010529 -0.006312 -0.016054 -0.023976 -0.000510 9C 1f-3 0.029210 0.001149 -0.001822 0.015320 0.013447 -0.002143 10H 1s 0.047859 -0.007294 0.010899 0.029370 0.014394 0.011828 10H 2s 0.041568 -0.029753 0.055086 0.118433 0.040803 0.058711 10H 3s -0.006206 -0.006334 0.007732 0.016402 0.006800 -0.014036 10H 1pz 0.012162 -0.010442 0.018638 0.033478 0.006251 0.018866 10H 1px -0.031969 0.004406 -0.008118 -0.027994 -0.017972 -0.009299 10H 1py 0.004457 0.012588 -0.015406 -0.003575 0.020681 -0.013641 11H 1s -0.005436 -0.018938 0.019413 0.004979 -0.024025 0.016962 11H 2s -0.014769 -0.030647 0.020962 0.028892 -0.001031 0.020521 11H 3s -0.017112 -0.001429 0.027087 0.027500 -0.004738 -0.002439 11H 1pz -0.000071 -0.008045 0.003427 0.006028 0.001073 0.004337 11H 1px -0.008098 0.004876 -0.010343 -0.011486 0.005497 -0.010653 11H 1py 0.007454 0.012736 -0.013267 -0.009020 0.009850 -0.010982 12H 1s -0.011953 0.028832 -0.028775 -0.038000 0.004667 -0.025823 12H 2s -0.016309 0.092938 -0.086962 -0.073301 0.057119 -0.095125 12H 3s -0.025137 0.005566 -0.037698 -0.004665 0.029532 0.008140 12H 1pz 0.011845 -0.009615 0.010172 0.010853 -0.003245 0.008565 12H 1px -0.005404 0.006419 -0.004584 -0.008507 -0.001639 -0.006460 12H 1py -0.010249 0.024638 -0.016576 -0.018963 0.004885 -0.017868 13H 1s -0.016981 -0.043562 0.016803 -0.009979 0.037599 -0.016075 13H 2s -0.076384 -0.042182 0.081365 -0.010009 0.139248 -0.088412 13H 3s 0.002098 0.006627 0.012318 -0.000975 0.012584 0.012150 13H 1pz -0.002529 -0.023001 0.000316 -0.022111 0.021831 -0.001278 13H 1px 0.021903 0.024844 -0.021296 0.001020 -0.034867 0.021906 13H 1py 0.015851 0.005544 -0.017579 -0.000476 -0.027915 0.019452 14H 1s 0.021674 0.005997 -0.027787 -0.006147 -0.040321 0.027978 14H 2s 0.084722 -0.012844 -0.099851 -0.066398 -0.100553 0.111208 14H 3s 0.011173 0.030291 -0.036106 -0.019274 -0.011011 -0.008411 14H 1pz 0.005859 -0.001936 -0.008428 -0.002331 -0.012240 0.009478 14H 1px 0.017079 0.002572 -0.020298 -0.006844 -0.027948 0.022833 14H 1py 0.007605 0.009941 -0.007196 -0.002893 -0.008484 0.006051 15H 1s -0.012295 0.004411 0.013294 0.016750 0.004241 -0.013007 15H 2s -0.021903 0.006474 0.007262 -0.005130 0.017543 -0.014960 15H 3s -0.006130 0.007268 0.021725 0.006372 0.016677 0.002384 15H 1pz 0.006064 -0.005717 -0.001946 -0.001992 0.000539 0.001711 15H 1px 0.013646 0.001092 -0.017711 -0.011714 -0.017889 0.018434 15H 1py 0.003522 -0.001721 -0.001470 0.001341 -0.004181 0.003474 16H 1s 0.007915 0.001828 0.008098 0.108768 0.041740 -0.053578 16H 2s -0.002922 -0.004114 0.009982 0.096066 0.016155 -0.111735 16H 3s 0.016844 -0.004534 -0.002339 0.001414 0.013334 0.002255 16H 1pz -0.006927 0.000193 0.008515 0.085330 0.020166 -0.069910 16H 1px -0.001867 0.000595 0.000397 -0.008740 0.000674 0.006043 16H 1py -0.001408 0.001297 0.003033 0.050964 0.017768 -0.025546 17H 1s 0.010685 -0.002221 0.002589 0.111404 0.009728 -0.067858 17H 2s 0.007188 -0.009614 0.007175 0.106939 0.027588 -0.138955 17H 3s -0.004290 0.014573 -0.001127 -0.001105 -0.016281 0.003061 17H 1pz -0.005969 0.010795 -0.000547 -0.051473 -0.010222 0.054032 17H 1px -0.005018 0.006321 -0.003094 -0.061766 -0.016574 0.058767 17H 1py 0.005545 -0.005551 0.002947 0.067943 0.011711 -0.045537 18H 1s 0.012675 -0.001766 -0.002367 0.109693 0.017559 0.068106 18H 2s 0.006826 -0.009565 -0.007420 0.105117 0.035318 0.140110 18H 3s -0.004878 0.013713 0.001133 -0.001415 -0.017245 -0.002529 18H 1pz 0.007038 -0.010636 -0.000701 0.052440 0.014554 0.055651 18H 1px 0.005238 -0.006434 -0.003085 0.060792 0.021211 0.059104 18H 1py -0.006220 0.005251 0.002608 -0.065368 -0.016225 -0.044246 19H 1s 0.007471 0.000523 -0.007667 0.105489 0.049108 0.050943 19H 2s -0.002367 -0.002613 -0.010223 0.092705 0.023781 0.106756 19H 3s 0.017537 -0.003742 0.002137 0.002298 0.012335 -0.002455 19H 1pz 0.006768 -0.000011 0.008243 -0.081404 -0.026165 -0.066323 19H 1px 0.002228 -0.000196 0.000290 0.009311 0.000352 0.006205 19H 1py 0.001472 -0.001114 0.002878 -0.050894 -0.022147 -0.025422 20H 1s -0.012814 0.004510 -0.013613 0.017248 0.004512 0.013326 20H 2s -0.022653 0.007243 -0.007824 -0.004831 0.018339 0.015419 20H 3s -0.006424 0.008045 -0.022341 0.006683 0.017198 -0.002464 20H 1pz -0.006528 0.005949 -0.002195 0.002233 -0.000325 0.002015 20H 1px -0.013428 -0.001019 -0.017570 0.011623 0.018004 0.018004 20H 1py -0.003438 0.001873 -0.001476 -0.001365 0.004221 0.003403 21H 1s 0.021353 0.005379 0.027755 -0.006241 -0.040499 -0.027351 21H 2s 0.083908 -0.012877 0.098682 -0.066298 -0.100273 -0.108718 21H 3s 0.011140 0.030849 0.036296 -0.019653 -0.010858 0.008519 21H 1pz -0.006041 0.002164 -0.008606 0.002655 0.012342 0.009516 21H 1px -0.016508 -0.002374 -0.019766 0.006651 0.027514 0.021874 21H 1py -0.007567 -0.009753 -0.007386 0.002988 0.008722 0.006081 22H 1s -0.015803 -0.043141 -0.016453 -0.010308 0.037430 0.015023 22H 2s -0.072744 -0.040760 -0.079690 -0.012197 0.139678 0.084276 22H 3s 0.000894 0.006953 -0.011895 -0.001272 0.012089 -0.012024 22H 1pz 0.001304 0.022283 -0.000204 0.022557 -0.021341 -0.000271 22H 1px -0.020991 -0.024560 -0.021010 -0.001436 0.035066 0.021021 22H 1py -0.015659 -0.005508 -0.017633 0.000241 0.028460 0.019034 23H 1s -0.011024 0.028757 0.028635 -0.037768 0.005282 0.025499 23H 2s -0.015714 0.090833 0.084340 -0.070014 0.058072 0.091538 23H 3s -0.025205 0.005650 0.037515 -0.004609 0.029910 -0.008345 23H 1pz -0.011657 0.009714 0.010266 -0.010976 0.003477 0.008569 23H 1px 0.005176 -0.005459 -0.003508 0.007417 0.002125 -0.005373 23H 1py 0.009682 -0.024333 -0.016208 0.018224 -0.005332 -0.017359 24H 1s -0.005639 -0.019341 -0.019910 0.005157 -0.025000 -0.017073 24H 2s -0.015431 -0.032974 -0.022952 0.030526 -0.003016 -0.022673 24H 3s -0.017924 -0.001654 -0.028069 0.028295 -0.004857 0.002739 24H 1pz 0.000321 0.008339 0.003569 -0.006063 -0.000776 0.004508 24H 1px 0.008222 -0.004114 -0.009583 0.010965 -0.005055 -0.009751 24H 1py -0.007697 -0.012952 -0.013428 0.009110 -0.010251 -0.011002 25H 1s 0.047787 -0.007284 -0.010197 0.028858 0.014645 -0.011268 25H 2s 0.040736 -0.028760 -0.051140 0.116030 0.043390 -0.055085 25H 3s -0.006421 -0.005826 -0.006852 0.016234 0.007862 0.013376 25H 1pz -0.012286 0.010716 0.018306 -0.033533 -0.006504 0.018502 25H 1px 0.031643 -0.004158 -0.007025 0.027228 0.018645 -0.008408 25H 1py -0.003902 -0.012603 -0.015754 0.004136 -0.020979 -0.013720 26O 1s 0.000266 0.000046 -0.000088 -0.000553 -0.000273 -0.000114 26O 2s 0.000142 0.000167 -0.000391 -0.001855 -0.000750 -0.000436 26O 3s 0.047306 -0.003401 0.006658 0.033765 0.018036 0.008933 26O 4s -0.437141 0.036829 -0.027487 -0.101922 -0.066613 -0.044211 26O 5s 0.037318 -0.076800 -0.015766 -0.164477 -0.079887 0.019024 26O 1pz -0.032657 -0.014334 0.025738 -0.004096 -0.044320 0.019907 26O 1px 0.009543 -0.012484 0.014667 0.004150 -0.011802 0.014538 26O 1py -0.020142 0.026610 -0.044325 -0.051285 0.015141 -0.035486 26O 2pz 0.155715 0.050751 -0.103057 0.023455 0.190080 -0.085006 26O 2px 0.106038 0.041157 -0.053030 -0.025451 0.034396 -0.046884 26O 2py 0.152201 -0.093128 0.182745 0.215213 -0.068333 0.163275 26O 3pz 0.076601 0.060968 -0.093924 0.116153 0.232837 -0.021252 26O 3px 0.154370 0.058284 -0.045686 0.130482 0.162906 0.002023 26O 3py 0.092600 -0.115469 0.158779 0.236240 0.100302 0.042397 26O 1dz2 -0.187454 -0.035039 -0.045147 -0.174833 -0.022456 -0.146630 26O 1dxz -0.101009 0.068692 -0.190341 -0.142252 0.167845 -0.200488 26O 1dyz -0.275727 0.092306 -0.048370 -0.058391 -0.060343 0.025390 26O 1dx2y2 0.074599 0.071728 -0.231910 -0.122433 0.266288 -0.260705 26O 1dxy -0.044134 -0.119222 0.231771 0.236763 -0.086690 0.160494 26O 2dz2 0.138044 0.029607 0.049698 0.144412 -0.002064 0.133423 26O 2dxz -0.077762 -0.082330 0.227541 0.064230 -0.301282 0.220780 26O 2dyz 0.148628 -0.084110 0.059243 0.010327 -0.019040 -0.006886 26O 2dx2y2 0.021785 -0.105544 0.280548 0.212985 -0.229080 0.287588 26O 2dxy -0.037312 0.140291 -0.289144 -0.319806 0.094022 -0.212244 26O 1f0 -0.115934 -0.023274 0.083146 -0.010329 -0.153620 0.078931 26O 1f+1 0.100612 -0.009861 -0.004650 0.043843 0.054871 0.003297 26O 1f-1 0.041662 0.020779 -0.058435 -0.033569 0.051618 -0.044608 26O 1f+2 0.082612 0.035973 -0.073933 0.002551 0.099565 -0.046206 26O 1f-2 0.132593 0.027443 -0.043792 0.072052 0.132326 -0.030068 26O 1f+3 0.161137 -0.093408 0.185622 0.212110 -0.046666 0.146946 26O 1f-3 0.034942 0.037111 -0.079866 -0.081282 0.043105 -0.063939 27O 1s 0.000076 -0.000400 -0.000120 -0.000136 -0.000420 0.000211 27O 2s 0.000252 -0.000539 -0.000431 -0.000625 -0.001291 0.000744 27O 3s -0.004303 -0.040443 0.006759 0.000801 0.027730 -0.011579 27O 4s 0.031496 0.409307 -0.025202 0.036490 -0.119744 0.035564 27O 5s -0.078082 -0.041295 0.002485 -0.065808 -0.055823 0.049135 27O 1pz 0.044750 0.031781 -0.041983 -0.012445 -0.051630 0.036513 27O 1px 0.007567 -0.001872 -0.010250 -0.010068 -0.012807 0.009758 27O 1py 0.029952 -0.020174 -0.028676 -0.045728 0.002281 0.025112 27O 2pz -0.173434 -0.131887 0.170186 0.049137 0.219865 -0.159331 27O 2px -0.032221 -0.147448 0.046980 0.067486 0.050446 -0.054498 27O 2py -0.115586 0.117877 0.114569 0.187815 -0.013993 -0.106041 27O 3pz -0.141240 -0.031021 0.149434 -0.055613 0.182934 -0.048555 27O 3px -0.025442 -0.159383 0.031151 -0.128599 0.192202 -0.041305 27O 3py -0.071268 0.072532 0.112930 0.274293 -0.128596 -0.039728 27O 1dz2 0.060665 -0.058772 -0.025457 0.061272 -0.007837 -0.095953 27O 1dxz -0.270128 -0.012956 0.288587 0.232468 0.225038 -0.292381 27O 1dyz 0.034477 -0.192770 -0.071962 -0.169321 0.007371 0.127323 27O 1dx2y2 -0.082210 -0.197331 0.107377 -0.023419 0.251846 -0.170053 27O 1dxy -0.200447 -0.220084 0.199104 0.148070 0.152773 -0.164876 27O 2dz2 -0.056927 0.032810 0.034841 -0.042938 0.029789 0.065385 27O 2dxz 0.329121 0.151829 -0.354070 -0.190161 -0.365215 0.341214 27O 2dyz -0.054439 0.138521 0.087414 0.151987 0.024645 -0.130102 27O 2dx2y2 0.103768 0.135967 -0.131527 -0.055496 -0.204782 0.182547 27O 2dxy 0.231850 0.057295 -0.240173 -0.282099 -0.072594 0.200716 27O 1f0 0.109868 0.147318 -0.116073 -0.014838 -0.166792 0.100946 27O 1f+1 0.030226 -0.034117 -0.037077 -0.029029 -0.034659 0.037834 27O 1f-1 0.036081 -0.020652 -0.013518 -0.031718 0.036569 -0.006314 27O 1f+2 -0.130716 -0.133462 0.131486 0.025533 0.171064 -0.110070 27O 1f-2 0.066996 0.060293 -0.064258 -0.002698 -0.091315 0.048472 27O 1f+3 0.080125 -0.122310 -0.085203 -0.149988 0.027274 0.071923 27O 1f-3 0.095598 -0.085763 -0.108083 -0.183021 0.023682 0.098575 28O 1s -0.000743 0.000105 -0.000030 -0.000373 -0.000172 -0.000070 28O 2s -0.001754 0.000229 -0.000094 -0.001417 -0.000719 -0.000311 28O 3s -0.022435 0.002639 0.000505 0.014595 0.004740 0.006587 28O 4s 0.389003 -0.032933 0.003701 -0.011694 0.005559 -0.021438 28O 5s -0.223404 -0.015095 -0.023653 -0.095790 -0.019391 -0.062401 28O 1pz 0.022493 0.029323 -0.027047 -0.003998 0.037113 -0.020826 28O 1px 0.032703 0.017102 -0.016082 0.006351 0.027120 -0.012949 28O 1py 0.019275 -0.048356 0.043151 0.049905 -0.011709 0.034938 28O 2pz -0.180792 -0.103003 0.109451 0.043817 -0.133501 0.101505 28O 2px -0.032705 -0.085702 0.067348 -0.060037 -0.145324 0.045295 28O 2py -0.091062 0.195248 -0.176037 -0.203450 0.053040 -0.151040 28O 3pz -0.192532 -0.087527 0.108524 -0.183047 -0.306693 0.054669 28O 3px 0.057953 -0.058409 0.056916 0.023552 -0.009907 -0.006374 28O 3py -0.093752 0.102132 -0.159105 -0.225941 -0.067824 -0.041615 28O 1dz2 0.149727 -0.225017 0.224494 0.214109 -0.171754 0.280401 28O 1dxz 0.076710 0.089764 -0.073488 0.082605 0.144381 0.006790 28O 1dyz 0.335564 0.168075 -0.178744 -0.074852 0.212112 -0.184894 28O 1dx2y2 -0.077788 0.075603 -0.061527 -0.062267 -0.046628 0.032393 28O 1dxy 0.045617 -0.257400 0.252901 0.237965 -0.118276 0.194949 28O 2dz2 0.026184 0.264902 -0.269206 -0.148991 0.292326 -0.297311 28O 2dxz -0.086625 -0.095945 0.090605 -0.048621 -0.151120 0.022748 28O 2dyz -0.201116 -0.211820 0.218494 0.163994 -0.167742 0.208551 28O 2dx2y2 -0.046420 -0.084435 0.077611 -0.003083 -0.055701 -0.010990 28O 2dxy -0.114431 0.311942 -0.310622 -0.325258 0.109887 -0.240681 28O 1f0 -0.133487 -0.078735 0.061201 -0.030723 -0.104352 0.032803 28O 1f+1 0.132905 0.130650 -0.136315 -0.012725 0.193590 -0.109972 28O 1f-1 -0.076400 0.033922 -0.033830 -0.083858 -0.037494 -0.031124 28O 1f+2 0.133361 -0.026269 0.004761 0.049011 0.056984 -0.005820 28O 1f-2 0.070122 -0.154260 0.144275 0.171926 -0.018543 0.108361 28O 1f+3 0.135227 0.010146 -0.012159 0.060057 0.074138 -0.005331 28O 1f-3 0.053841 -0.127022 0.128452 0.127865 -0.054253 0.103827 29O 1s 0.000109 0.000104 -0.000217 -0.002978 -0.000741 0.001703 29O 2s 0.000176 0.000349 -0.000707 -0.010368 -0.002545 0.006225 29O 3s -0.001038 -0.006080 0.010035 0.153642 0.037366 -0.100825 29O 4s 0.008233 0.017276 -0.022929 -0.352489 -0.086893 0.238408 29O 5s -0.030262 -0.002060 0.001497 -0.002908 0.007991 0.078293 29O 1pz 0.002213 -0.002494 -0.001290 -0.008891 -0.005192 0.003691 29O 1px 0.003516 -0.001878 0.000353 0.020424 0.004066 -0.014233 29O 1py -0.000500 0.002322 -0.001496 -0.024931 -0.005586 0.017685 29O 2pz -0.015949 0.012688 0.007877 0.043401 0.020363 -0.020472 29O 2px -0.012201 0.012068 -0.003278 -0.099746 -0.020615 0.081082 29O 2py 0.002717 -0.011854 0.008339 0.140089 0.031844 -0.108979 29O 3pz 0.010010 -0.009175 -0.001696 0.007040 -0.005661 -0.006136 29O 3px 0.006022 -0.008783 -0.002175 -0.030475 -0.008520 0.025679 29O 3py 0.001172 -0.000834 0.000698 -0.011640 0.000115 -0.043864 29O 1dz2 0.013756 0.012607 0.004555 0.074629 0.033486 -0.015369 29O 1dxz 0.021006 0.004363 -0.000245 0.060594 -0.004474 -0.028864 29O 1dyz 0.011321 -0.013537 0.000397 0.006966 0.011271 -0.004438 29O 1dx2y2 -0.006701 -0.001620 0.000811 -0.020507 -0.012671 0.035874 29O 1dxy 0.001346 0.001463 -0.001071 -0.051861 -0.003169 0.029109 29O 2dz2 -0.009630 -0.011112 -0.008153 -0.113649 -0.043709 0.046631 29O 2dxz -0.021254 0.000643 -0.000578 -0.088268 -0.001601 0.055403 29O 2dyz -0.004215 0.007185 -0.002954 -0.010497 -0.014285 0.002639 29O 2dx2y2 0.004526 0.001851 0.000152 0.022513 0.012848 -0.035478 29O 2dxy 0.002352 -0.005631 0.002508 0.086655 0.010953 -0.061948 29O 1f0 0.003370 -0.000823 0.003362 0.071753 0.017715 -0.044095 29O 1f+1 -0.002260 0.001408 -0.002549 -0.028668 -0.007575 0.018152 29O 1f-1 0.005874 0.002246 0.006498 0.084352 0.025741 -0.047365 29O 1f+2 0.002323 0.000758 -0.002482 -0.024294 -0.005961 0.016234 29O 1f-2 0.007226 -0.003454 0.000577 0.058012 0.004797 -0.040699 29O 1f+3 0.000362 0.001836 -0.001125 -0.015734 -0.001293 0.013675 29O 1f-3 -0.004269 -0.000749 -0.000350 -0.023486 -0.000752 0.014522 30O 1s -0.000007 0.000517 -0.000039 -0.000274 -0.000273 -0.000091 30O 2s -0.000175 0.001131 0.000035 -0.000727 -0.000841 -0.000425 30O 3s 0.004305 0.025906 -0.001546 0.014986 0.000566 0.005216 30O 4s -0.009818 -0.369011 0.003038 -0.043470 0.047621 -0.001216 30O 5s -0.067278 0.211356 0.024689 -0.107030 -0.040699 -0.033738 30O 1pz -0.032962 0.012095 0.041934 0.018664 0.042030 -0.038685 30O 1px -0.003596 -0.026684 0.006454 -0.006070 0.028261 -0.003291 30O 1py -0.020590 0.032353 0.027309 0.045498 0.001624 -0.024311 30O 2pz 0.125719 0.007632 -0.169873 -0.091176 -0.165846 0.166456 30O 2px 0.007175 0.020689 -0.025473 0.048381 -0.130410 0.018598 30O 2py 0.070567 -0.200789 -0.110700 -0.180211 -0.016009 0.109101 30O 3pz 0.108374 0.077469 -0.157727 0.090791 -0.230183 0.042045 30O 3px -0.006022 -0.028410 -0.019604 -0.042983 -0.035464 -0.000587 30O 3py 0.090663 -0.164733 -0.114458 -0.288911 0.170930 0.039582 30O 1dz2 0.109399 -0.094166 -0.252359 -0.236919 -0.250984 0.330905 30O 1dxz -0.145206 0.004280 0.183611 0.017224 0.193716 -0.098070 30O 1dyz -0.007650 0.298528 0.049365 0.068430 0.019962 -0.112579 30O 1dx2y2 0.019184 0.110193 -0.071986 -0.045279 -0.129030 0.146473 30O 1dxy -0.124468 0.235709 0.170425 0.242753 -0.002390 -0.128067 30O 2dz2 -0.148347 0.075331 0.307201 0.234861 0.323639 -0.361406 30O 2dxz 0.167773 -0.060097 -0.227225 -0.085007 -0.195934 0.149516 30O 2dyz 0.021595 -0.174345 -0.062365 -0.000814 -0.097497 0.113883 30O 2dx2y2 -0.031204 0.078914 0.085426 0.172884 0.000514 -0.147006 30O 2dxy 0.139608 -0.245392 -0.207641 -0.274881 -0.035614 0.163711 30O 1f0 0.009051 0.012287 -0.022710 -0.027022 -0.018091 0.015560 30O 1f+1 -0.100607 0.023966 0.166092 0.095498 0.164102 -0.150362 30O 1f-1 -0.074544 0.017065 0.098329 0.021860 0.106593 -0.070004 30O 1f+2 0.048511 -0.203182 -0.067165 -0.164001 0.076625 0.057986 30O 1f-2 0.014185 -0.028376 -0.031498 0.015693 -0.055117 0.036257 30O 1f+3 0.045273 -0.169365 -0.086112 -0.167478 0.029984 0.081689 30O 1f-3 -0.035207 -0.092828 0.055402 -0.022228 0.123435 -0.050508 31O 1s 0.000004 0.000514 0.000038 -0.000272 -0.000250 0.000094 31O 2s -0.000146 0.001128 -0.000035 -0.000721 -0.000760 0.000432 31O 3s 0.003722 0.025416 0.001512 0.014772 -0.000440 -0.005010 31O 4s -0.005242 -0.365176 -0.002860 -0.042174 0.048788 -0.001442 31O 5s -0.071670 0.216966 -0.023442 -0.106884 -0.036090 0.038676 31O 1pz 0.032682 -0.012559 0.041852 -0.018673 -0.042656 -0.038199 31O 1px 0.003254 0.026666 0.006520 0.005893 -0.027878 -0.002623 31O 1py 0.021272 -0.031695 0.027203 -0.045496 -0.001825 -0.024213 31O 2pz -0.124310 -0.004592 -0.169397 0.091658 0.168469 0.164295 31O 2px -0.005568 -0.021252 -0.025918 -0.048205 0.128858 0.016026 31O 2py -0.073820 0.196445 -0.110392 0.179648 0.017017 0.108723 31O 3pz -0.103451 -0.073287 -0.157971 -0.090526 0.231602 0.037737 31O 3px 0.005963 0.025401 -0.020020 0.041786 0.034186 -0.001512 31O 3py -0.099071 0.158549 -0.113380 0.288130 -0.171518 0.043442 31O 1dz2 0.109468 -0.093263 0.251941 -0.236689 -0.255327 -0.327024 31O 1dxz -0.142934 0.006254 -0.183298 0.016956 0.194995 0.095337 31O 1dyz -0.010701 0.296341 -0.049439 0.068439 0.023065 0.113527 31O 1dx2y2 0.016380 0.107248 0.071598 -0.045242 -0.130037 -0.144033 31O 1dxy -0.129088 0.233005 -0.169738 0.243258 -0.000883 0.128024 31O 2dz2 -0.147505 0.075336 -0.306739 0.234742 0.328002 0.356283 31O 2dxz 0.166480 -0.061937 0.226680 -0.084874 -0.198306 -0.146864 31O 2dyz 0.022537 -0.174277 0.062471 -0.000989 -0.100452 -0.113289 31O 2dx2y2 -0.032135 0.078815 -0.084680 0.172663 0.002224 0.146980 31O 2dxy 0.144214 -0.241995 0.206947 -0.275176 -0.037194 -0.163099 31O 1f0 -0.008976 -0.012174 -0.022736 0.027256 0.017979 0.015225 31O 1f+1 0.099810 -0.024817 0.165884 -0.095535 -0.166036 -0.147902 31O 1f-1 0.073749 -0.017894 0.098160 -0.021920 -0.107373 -0.068312 31O 1f+2 -0.051868 0.200647 -0.066704 0.163879 -0.075294 0.059674 31O 1f-2 -0.013091 0.029491 -0.031492 -0.015736 0.056060 0.035622 31O 1f+3 -0.048695 0.166502 -0.085627 0.167232 -0.028773 0.082379 31O 1f-3 0.033616 0.091356 0.055558 0.021959 -0.123391 -0.048303 32O 1s 0.000075 0.000112 0.000202 -0.002906 -0.000969 -0.001670 32O 2s 0.000067 0.000375 0.000662 -0.010117 -0.003327 -0.006108 32O 3s 0.000418 -0.006418 -0.009446 0.149910 0.048931 0.099000 32O 4s 0.004568 0.018205 0.021435 -0.343778 -0.114104 -0.234224 32O 5s -0.027379 -0.003591 -0.000037 -0.003221 0.009866 -0.077000 32O 1pz -0.002654 0.002141 -0.001185 0.007637 0.005645 0.002557 32O 1px -0.003784 0.001867 0.000341 -0.020301 -0.005688 -0.014323 32O 1py 0.000630 -0.002279 -0.001481 0.024392 0.007491 0.017362 32O 2pz 0.017529 -0.011791 0.007341 -0.036741 -0.022597 -0.013234 32O 2px 0.013326 -0.011915 -0.003265 0.099255 0.028570 0.082006 32O 2py -0.003347 0.011558 0.008237 -0.136998 -0.042506 -0.107161 32O 3pz -0.011704 0.007676 -0.001551 -0.007268 0.004709 -0.004034 32O 3px -0.005607 0.007950 -0.001933 0.029619 0.010625 0.026284 32O 3py -0.000775 0.000727 0.001145 0.011798 -0.000018 -0.043263 32O 1dz2 0.012838 0.012256 -0.004240 0.072739 0.037606 0.013708 32O 1dxz 0.022043 0.004635 0.000295 0.060300 -0.000551 0.029852 32O 1dyz 0.011671 -0.013649 -0.000662 0.009342 0.012603 0.003902 32O 1dx2y2 -0.006447 -0.000674 -0.000651 -0.019382 -0.014657 -0.034680 32O 1dxy 0.000700 0.001711 0.001121 -0.050180 -0.006372 -0.029061 32O 2dz2 -0.009109 -0.010392 0.007579 -0.110446 -0.050820 -0.043894 32O 2dxz -0.022846 0.000385 0.000468 -0.088061 -0.007758 -0.057235 32O 2dyz -0.004109 0.007453 0.003242 -0.013657 -0.016503 -0.001672 32O 2dx2y2 0.004066 0.001122 -0.000342 0.020918 0.014960 0.033660 32O 2dxy 0.003197 -0.005679 -0.002510 0.083741 0.016718 0.061398 32O 1f0 -0.003543 0.000992 0.002747 -0.065053 -0.020918 -0.040213 32O 1f+1 0.002678 -0.001738 -0.002480 0.031576 0.010439 0.020402 32O 1f-1 -0.006128 -0.001606 0.006319 -0.085004 -0.032475 -0.047376 32O 1f+2 -0.001673 -0.000770 -0.002592 0.027808 0.008953 0.018223 32O 1f-2 -0.008288 0.003149 0.000398 -0.055669 -0.008246 -0.040449 32O 1f+3 -0.000390 -0.001615 -0.001180 0.013561 0.002141 0.012426 32O 1f-3 0.004810 0.001019 -0.000234 0.022511 0.002166 0.014489 33O 1s -0.000746 0.000105 0.000031 -0.000376 -0.000164 0.000078 33O 2s -0.001753 0.000236 0.000100 -0.001433 -0.000683 0.000338 33O 3s -0.022438 0.002551 -0.000565 0.014812 0.004163 -0.006767 33O 4s 0.388567 -0.032949 -0.003924 -0.011767 0.006653 0.021049 33O 5s -0.225026 -0.018266 0.024512 -0.098686 -0.014223 0.062115 33O 1pz -0.022205 -0.028821 -0.027011 0.004221 -0.037456 -0.020279 33O 1px -0.032949 -0.017151 -0.015921 -0.006559 -0.027127 -0.012326 33O 1py -0.018644 0.048513 0.043124 -0.049940 0.012544 0.034635 33O 2pz 0.179225 0.100871 0.109323 -0.044814 0.135410 0.099265 33O 2px 0.033068 0.085306 0.066593 0.060927 0.144660 0.042547 33O 2py 0.088425 -0.196175 -0.176007 0.203632 -0.056455 -0.149686 33O 3pz 0.189052 0.082969 0.107161 0.184106 0.306731 0.049065 33O 3px -0.057224 0.058961 0.056786 -0.023313 0.008783 -0.006087 33O 3py 0.090660 -0.103501 -0.159602 0.227811 0.067271 -0.042861 33O 1dz2 0.146539 -0.225302 -0.224634 0.215196 -0.177025 -0.277261 33O 1dxz 0.074977 0.087362 0.073605 0.081600 0.144581 -0.008066 33O 1dyz 0.335614 0.165073 0.177214 -0.074288 0.214173 0.180312 33O 1dx2y2 -0.075388 0.076404 0.061213 -0.061857 -0.046819 -0.032279 33O 1dxy 0.042064 -0.257455 -0.253076 0.238604 -0.121757 -0.192591 33O 2dz2 0.027887 0.263577 0.268888 -0.150152 0.297235 0.292222 33O 2dxz -0.085020 -0.093752 -0.090988 -0.047350 -0.152349 -0.021349 33O 2dyz -0.202151 -0.209706 -0.217196 0.163651 -0.170370 -0.204477 33O 2dx2y2 -0.047675 -0.083896 -0.076755 -0.003848 -0.055174 0.012532 33O 2dxy -0.109990 0.312741 0.310933 -0.326171 0.114380 0.238273 33O 1f0 0.132766 0.077379 0.060585 0.030705 0.103968 0.030899 33O 1f+1 -0.132167 -0.128893 -0.136225 0.013353 -0.195322 -0.107144 33O 1f-1 0.075450 -0.034338 -0.033785 0.083884 0.036939 -0.031387 33O 1f+2 -0.132671 0.027252 0.005691 -0.049785 -0.056128 -0.004339 33O 1f-2 -0.067851 0.154737 0.144077 -0.172284 0.020555 0.107436 33O 1f+3 -0.134644 -0.008757 -0.011486 -0.060707 -0.073732 -0.003907 33O 1f-3 -0.052135 0.127594 0.128657 -0.128356 0.056223 0.102771 34O 1s 0.000067 -0.000401 0.000116 -0.000123 -0.000423 -0.000202 34O 2s 0.000218 -0.000531 0.000417 -0.000578 -0.001307 -0.000711 34O 3s -0.003348 -0.040458 -0.006570 0.000041 0.027907 0.010787 34O 4s 0.026590 0.407004 0.024476 0.038941 -0.119128 -0.031604 34O 5s -0.085122 -0.038127 -0.000924 -0.063747 -0.061828 -0.048431 34O 1pz -0.044524 -0.031360 -0.042001 0.012449 0.052075 0.035731 34O 1px -0.006871 0.002021 -0.010262 0.009998 0.013214 0.009728 34O 1py -0.030537 0.019589 -0.028592 0.045607 -0.001840 0.025212 34O 2pz 0.171921 0.129757 0.170356 -0.049202 -0.221766 -0.156050 34O 2px 0.027685 0.147120 0.046927 -0.066288 -0.052078 -0.053586 34O 2py 0.119317 -0.115046 0.114237 -0.187556 0.012092 -0.106684 34O 3pz 0.139984 0.027467 0.149258 0.055516 -0.182540 -0.045764 34O 3px 0.018629 0.155742 0.031569 0.130006 -0.192526 -0.037402 34O 3py 0.075039 -0.067568 0.112717 -0.275481 0.127377 -0.042410 34O 1dz2 0.059985 -0.059422 0.025721 0.060754 -0.006944 0.095414 34O 1dxz -0.272598 -0.014052 -0.288592 0.232107 0.229686 0.289678 34O 1dyz 0.037539 -0.188691 0.072343 -0.169319 0.005117 -0.128132 34O 1dx2y2 -0.077733 -0.193158 -0.107789 -0.023288 0.254428 0.166699 34O 1dxy -0.198290 -0.218496 -0.198733 0.147812 0.153928 0.161879 34O 2dz2 -0.055719 0.033255 -0.035112 -0.042739 0.029481 -0.065289 34O 2dxz 0.329332 0.150561 0.354242 -0.189929 -0.370093 -0.336124 34O 2dyz -0.057046 0.135176 -0.087806 0.152026 0.026909 0.130358 34O 2dx2y2 0.100113 0.133618 0.131785 -0.055189 -0.207819 -0.179950 34O 2dxy 0.233122 0.058426 0.239625 -0.281848 -0.074693 -0.199528 34O 1f0 -0.108323 -0.145381 -0.116196 0.014883 0.167973 0.098280 34O 1f+1 -0.030069 0.033963 -0.037246 0.028998 0.035663 0.037674 34O 1f-1 -0.036996 0.019830 -0.013368 0.031662 -0.036514 -0.005670 34O 1f+2 0.128865 0.131449 0.131601 -0.025491 -0.172150 -0.107400 34O 1f-2 -0.066582 -0.059565 -0.064488 0.002881 0.091891 0.047089 34O 1f+3 -0.081955 0.120104 -0.085072 0.149767 -0.025583 0.073054 34O 1f-3 -0.098785 0.082957 -0.107802 0.182811 -0.021978 0.099298 35O 1s 0.000267 0.000061 0.000080 -0.000541 -0.000296 0.000116 35O 2s 0.000140 0.000217 0.000363 -0.001809 -0.000830 0.000438 35O 3s 0.047318 -0.004288 -0.006313 0.033155 0.019046 -0.009027 35O 4s -0.436793 0.039635 0.026294 -0.100464 -0.068628 0.044311 35O 5s 0.041025 -0.069091 0.016665 -0.162968 -0.083184 -0.018791 35O 1pz 0.032075 0.013986 0.025642 0.003971 0.044506 0.019278 35O 1px -0.009948 0.011966 0.014688 -0.004355 0.012487 0.014395 35O 1py 0.019915 -0.027126 -0.044195 0.051309 -0.015546 -0.035066 35O 2pz -0.152677 -0.048552 -0.102603 -0.022865 -0.190755 -0.082345 35O 2px -0.104597 -0.038231 -0.053286 0.026644 -0.037233 -0.046767 35O 2py -0.151271 0.096053 0.182182 -0.215269 0.070139 0.161284 35O 3pz -0.073426 -0.059107 -0.094112 -0.116865 -0.233690 -0.017589 35O 3px -0.151408 -0.053956 -0.045295 -0.129250 -0.163407 0.004364 35O 3py -0.090243 0.119524 0.158427 -0.236045 -0.099081 0.043512 35O 1dz2 -0.184613 -0.033500 0.045058 -0.175437 -0.020531 0.146547 35O 1dxz -0.101700 0.069231 0.190130 -0.143005 0.171966 0.197661 35O 1dyz -0.274719 0.093881 0.048908 -0.059415 -0.059698 -0.024195 35O 1dx2y2 0.071977 0.070419 0.231086 -0.123137 0.270317 0.256114 35O 1dxy -0.043921 -0.121539 -0.230986 0.236438 -0.088627 -0.158039 35O 2dz2 0.135945 0.027954 -0.049411 0.144789 -0.003328 -0.132902 35O 2dxz -0.074873 -0.081160 -0.226895 0.065150 -0.305103 -0.215958 35O 2dyz 0.148485 -0.084712 -0.059544 0.011299 -0.019796 0.006876 35O 2dx2y2 0.023946 -0.105012 -0.279988 0.214292 -0.234039 -0.283459 35O 2dxy -0.037315 0.143684 0.288200 -0.319513 0.096424 0.209392 35O 1f0 0.114004 0.021915 0.082798 0.009971 0.154659 0.076576 35O 1f+1 -0.099811 0.010284 -0.004202 -0.044083 -0.053918 0.004222 35O 1f-1 -0.041267 -0.021067 -0.058012 0.033459 -0.051999 -0.043496 35O 1f+2 -0.080689 -0.035023 -0.073605 -0.002165 -0.100030 -0.044694 35O 1f-2 -0.130573 -0.025983 -0.043583 -0.071886 -0.132676 -0.028210 35O 1f+3 -0.161086 0.095234 0.185596 -0.213021 0.049414 0.145796 35O 1f-3 -0.035144 -0.038039 -0.079319 0.080927 -0.043488 -0.062816 720 721 722 723 724 725 6.94103 6.94382 7.00620 7.01523 7.01946 7.01986 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s 0.000065 0.000097 -0.000750 -0.000082 -0.000010 -0.000034 0Rh 2s -0.000888 -0.001540 0.001708 0.000338 -0.000050 -0.000103 0Rh 3s -0.000120 -0.000304 -0.003582 -0.000304 -0.000086 -0.000268 0Rh 4s 0.005712 0.009996 -0.014427 -0.002489 0.000336 0.000446 0Rh 5s -0.018841 -0.035430 0.038636 0.007457 -0.002292 -0.002222 0Rh 6s 0.034636 0.079795 -0.020828 -0.010028 0.010046 0.008433 0Rh 7s -0.112806 -0.416412 -0.004971 0.031422 -0.076411 -0.043487 0Rh 8s 0.209900 0.134802 0.440622 0.004777 0.019942 0.051781 0Rh 1pz -0.002547 0.000832 0.011211 -0.012842 -0.011582 -0.003908 0Rh 1px 0.003210 0.015196 -0.031203 -0.007517 0.003764 -0.000958 0Rh 1py 0.002426 0.015168 -0.006558 0.010248 -0.010934 -0.004916 0Rh 2pz 0.010837 -0.003563 -0.047576 0.054980 0.049565 0.016787 0Rh 2px -0.013559 -0.064656 0.132442 0.032146 -0.015999 0.004074 0Rh 2py -0.010250 -0.064571 0.027882 -0.043900 0.046874 0.021059 0Rh 3pz -0.038403 0.013048 0.167058 -0.202572 -0.182142 -0.063088 0Rh 3px 0.045419 0.230974 -0.465118 -0.117705 0.056743 -0.014386 0Rh 3py 0.034983 0.231202 -0.098899 0.162235 -0.173924 -0.077856 0Rh 4pz 0.055125 -0.019608 -0.240306 0.318071 0.284235 0.102996 0Rh 4px -0.054426 -0.346196 0.666489 0.182638 -0.083605 0.020532 0Rh 4py -0.047018 -0.346589 0.144767 -0.255979 0.276046 0.123022 0Rh 5pz -0.034497 0.009688 0.153475 -0.246312 -0.216042 -0.089028 0Rh 5px 0.008642 0.247836 -0.411800 -0.136661 0.057424 -0.012428 0Rh 5py 0.022303 0.241819 -0.095013 0.200638 -0.218931 -0.097205 0Rh 6pz 0.112130 0.067150 -0.201976 0.726983 0.656670 0.298484 0Rh 6px -0.012274 -0.078499 0.496290 0.340895 0.019862 0.055773 0Rh 6py 0.063685 -0.050077 0.090691 -0.643916 0.797840 0.333387 0Rh 1dz2 0.001751 0.002356 -0.001979 -0.003668 -0.002840 0.001026 0Rh 1dxz 0.000645 -0.000305 -0.001658 0.003796 0.004233 0.002052 0Rh 1dyz -0.000550 0.000426 -0.000768 0.000596 -0.004853 0.006565 0Rh 1dx2y2 0.001425 0.000374 0.002159 0.003281 -0.001332 0.001007 0Rh 1dxy 0.001712 -0.001853 0.000221 -0.004179 0.002897 0.004333 0Rh 2dz2 0.000927 0.000113 0.002198 0.001109 0.002083 -0.002726 0Rh 2dxz 0.001824 0.001796 0.002010 -0.000881 -0.000745 -0.000325 0Rh 2dyz 0.000645 0.000167 0.001139 0.000328 0.004820 -0.008900 0Rh 2dx2y2 -0.003740 -0.002666 -0.002967 -0.000749 0.000322 -0.001779 0Rh 2dxy -0.002332 -0.000292 -0.000618 0.001176 0.000507 -0.003915 0Rh 3dz2 -0.015460 -0.014729 0.000396 0.016519 0.006316 0.008244 0Rh 3dxz -0.013471 -0.007470 -0.000604 -0.018545 -0.021876 -0.010800 0Rh 3dyz -0.000106 -0.003456 -0.001390 -0.005318 0.004088 0.007176 0Rh 3dx2y2 0.011026 0.011499 0.002615 -0.016020 0.006310 0.003255 0Rh 3dxy 0.001908 0.012583 0.001972 0.019315 -0.020443 -0.005698 0Rh 4dz2 0.049801 0.042666 0.008320 -0.044889 -0.009873 -0.037861 0Rh 4dxz 0.047248 0.027233 0.011171 0.051722 0.061391 0.030676 0Rh 4dyz 0.003348 0.011011 0.009570 0.016207 0.008764 -0.062318 0Rh 4dx2y2 -0.047941 -0.041011 -0.020937 0.044174 -0.015963 -0.017223 0Rh 4dxy -0.015026 -0.036718 -0.008912 -0.052956 0.063635 -0.000822 0Rh 5dz2 -0.138046 -0.091011 -0.046351 0.077860 -0.030210 0.168748 0Rh 5dxz -0.147887 -0.075459 -0.055317 -0.085391 -0.105376 -0.057444 0Rh 5dyz -0.021645 -0.031590 -0.046225 -0.022005 -0.125831 0.379153 0Rh 5dx2y2 0.188528 0.107812 0.079518 -0.074167 0.016185 0.075557 0Rh 5dxy 0.074289 0.075412 0.023394 0.087587 -0.142985 0.110807 0Rh 1f0 0.001126 0.008284 -0.003659 0.007559 -0.005454 -0.002348 0Rh 1f+1 -0.001037 -0.000303 0.001781 -0.006526 -0.007172 -0.007430 0Rh 1f-1 -0.000919 0.009507 -0.001252 -0.002665 -0.019338 -0.006981 0Rh 1f+2 0.000013 -0.007592 0.003841 0.018547 0.008056 0.007350 0Rh 1f-2 -0.001334 0.004601 0.000528 0.012865 -0.010676 -0.006843 0Rh 1f+3 -0.000420 -0.006549 0.004413 -0.014901 0.000914 -0.000237 0Rh 1f-3 -0.004043 -0.000446 0.001814 0.008359 -0.010281 -0.001937 1Rh 1s -0.000056 0.000100 0.000750 -0.000043 -0.000018 0.000023 1Rh 2s 0.000740 -0.001599 -0.001709 0.000197 -0.000162 0.000015 1Rh 3s 0.000091 -0.000321 0.003586 -0.000147 -0.000200 0.000149 1Rh 4s -0.004752 0.010365 0.014432 -0.001429 0.000947 0.000088 1Rh 5s 0.015444 -0.036682 -0.038639 0.004424 -0.004321 -0.000549 1Rh 6s -0.027002 0.082239 0.020775 -0.006936 0.014241 0.001810 1Rh 7s 0.072874 -0.424814 0.005562 0.025992 -0.087065 -0.024360 1Rh 8s -0.196920 0.154749 -0.441280 -0.005820 0.047328 -0.024548 1Rh 1pz -0.002083 -0.000303 0.010625 0.013300 0.011224 0.005176 1Rh 1px 0.002000 -0.015276 -0.031407 0.006339 -0.002235 -0.003678 1Rh 1py 0.000669 -0.015443 -0.006362 -0.010409 0.011102 0.004450 1Rh 2pz 0.008865 0.001307 -0.045069 -0.056924 -0.048075 -0.022104 1Rh 2px -0.008411 0.064985 0.133317 -0.027145 0.009497 0.015639 1Rh 2py -0.002769 0.065738 0.027043 0.044576 -0.047585 -0.019089 1Rh 3pz -0.031389 -0.004935 0.157847 0.209435 0.177578 0.080207 1Rh 3px 0.027036 -0.231840 -0.468347 0.100112 -0.033667 -0.055482 1Rh 3py 0.008203 -0.235242 -0.095806 -0.164518 0.176376 0.071069 1Rh 4pz 0.044687 0.007424 -0.225902 -0.328018 -0.280133 -0.121848 1Rh 4px -0.026847 0.346114 0.671565 -0.157389 0.049867 0.081363 1Rh 4py -0.006895 0.352223 0.139905 0.258999 -0.279633 -0.113300 1Rh 5pz -0.027167 -0.000745 0.142413 0.252719 0.220314 0.084857 1Rh 5px -0.011430 -0.244572 -0.415695 0.120983 -0.035035 -0.054493 1Rh 5py -0.005587 -0.245057 -0.091263 -0.202046 0.221764 0.090311 1Rh 6pz 0.116899 -0.096443 -0.174885 -0.735750 -0.686151 -0.241007 1Rh 6px 0.001054 0.068773 0.506297 -0.320462 -0.051646 0.032443 1Rh 6py 0.064818 0.051464 0.081076 0.640610 -0.792843 -0.345736 1Rh 1dz2 -0.001659 0.002599 0.002135 -0.003661 -0.001330 -0.002561 1Rh 1dxz -0.000519 -0.000305 0.001438 0.003794 0.004463 0.001462 1Rh 1dyz 0.000488 0.000585 0.000779 0.000419 0.001267 -0.007982 1Rh 1dx2y2 -0.001329 0.000508 -0.002267 0.003249 -0.000183 -0.001659 1Rh 1dxy -0.001991 -0.001602 -0.000122 -0.004226 0.005099 -0.000861 1Rh 2dz2 -0.000846 0.000149 -0.002251 0.001149 -0.000443 0.003326 1Rh 2dxz -0.001726 0.001985 -0.001943 -0.000897 -0.000771 -0.000275 1Rh 2dyz -0.000571 0.000105 -0.001169 0.000559 -0.002900 0.009630 1Rh 2dx2y2 0.003453 -0.003014 0.003000 -0.000685 -0.001025 0.001451 1Rh 2dxy 0.002355 -0.000556 0.000583 0.001259 -0.002403 0.003065 1Rh 3dz2 0.014491 -0.016384 -0.001064 0.016267 0.010519 -0.002028 1Rh 3dxz 0.012206 -0.008460 0.001595 -0.018438 -0.023143 -0.007457 1Rh 3dyz 0.000101 -0.004096 0.001476 -0.005465 0.007697 -0.002367 1Rh 3dx2y2 -0.010120 0.012516 -0.002134 -0.016176 0.006450 0.002368 1Rh 3dxy -0.000360 0.012455 -0.002392 0.019158 -0.018438 -0.011047 1Rh 4dz2 -0.046744 0.047780 -0.006534 -0.043960 -0.034375 0.021503 1Rh 4dxz -0.043339 0.030917 -0.013862 0.051252 0.065125 0.020677 1Rh 4dyz -0.003129 0.012746 -0.009899 0.017680 -0.037091 0.050592 1Rh 4dx2y2 0.044416 -0.045460 0.019638 0.045028 -0.022465 0.000201 1Rh 4dxy 0.010684 -0.037374 0.010031 -0.052049 0.044321 0.047248 1Rh 5dz2 0.130553 -0.104377 0.043441 0.073853 0.098932 -0.143647 1Rh 5dxz 0.139082 -0.087656 0.059730 -0.083864 -0.114585 -0.032126 1Rh 5dyz 0.020700 -0.035089 0.046781 -0.031317 0.177033 -0.357881 1Rh 5dx2y2 -0.178038 0.125381 -0.077444 -0.077383 0.062244 -0.040696 1Rh 5dxy -0.065795 0.081201 -0.025187 0.083151 -0.022980 -0.182340 1Rh 1f0 0.000125 -0.008360 -0.003472 -0.007642 0.005427 0.002320 1Rh 1f+1 -0.000778 0.000323 0.001442 0.006539 0.010338 -0.000281 1Rh 1f-1 -0.001621 -0.009329 -0.001575 0.002760 0.018637 0.008690 1Rh 1f+2 0.000067 0.007612 0.004587 -0.018330 -0.010996 0.000076 1Rh 1f-2 -0.002057 -0.004477 0.000824 -0.012789 0.012245 0.002970 1Rh 1f+3 0.000620 0.006535 0.003911 0.014993 -0.000322 -0.001068 1Rh 1f-3 -0.004202 0.000900 0.001987 -0.008107 0.008645 0.006114 2C 1s 0.000386 0.000044 -0.000695 0.000118 0.000861 0.000059 2C 2s 0.000190 -0.000050 -0.001122 0.000352 0.001276 0.000423 2C 3s 0.022441 -0.001343 0.003806 -0.010365 -0.001852 0.009544 2C 4s -0.107671 0.050791 -0.008834 0.035633 -0.003591 -0.050489 2C 5s 0.255972 0.115577 0.226802 -0.162968 -0.374389 -0.070215 2C 1pz 0.001111 -0.002451 0.004958 -0.001340 -0.004383 -0.003990 2C 1px -0.001940 -0.002300 -0.018121 0.006091 0.016368 0.020832 2C 1py -0.002055 -0.001697 -0.003863 -0.000347 0.004587 0.006378 2C 2pz -0.072175 0.055423 -0.133946 0.053006 0.124345 0.106476 2C 2px 0.005398 0.054051 0.209308 -0.089174 -0.212544 -0.300221 2C 2py -0.021789 0.052657 0.006791 0.015075 -0.023243 -0.061947 2C 3pz 0.041231 0.030035 0.019229 0.007423 -0.055799 -0.002449 2C 3px 0.043898 -0.008324 0.068825 -0.039669 -0.072959 -0.051603 2C 3py 0.035488 0.002243 0.031222 -0.067474 -0.039997 -0.014000 2C 1dz2 -0.008451 -0.008491 0.003567 0.001669 -0.004496 0.009460 2C 1dxz 0.004837 0.015682 -0.012676 0.003139 0.011513 -0.014538 2C 1dyz -0.006987 0.000179 0.000108 0.003011 -0.001721 0.000907 2C 1dx2y2 0.001930 0.001172 0.004694 0.001622 -0.004276 -0.003114 2C 1dxy 0.005542 0.008289 -0.009110 -0.004549 0.010057 -0.010151 2C 2dz2 -0.032985 -0.002838 -0.063749 0.030945 0.060905 0.087512 2C 2dxz 0.040884 0.036366 0.038405 -0.028140 -0.036070 -0.107701 2C 2dyz -0.029278 0.016627 -0.006273 -0.000953 0.002359 -0.017174 2C 2dx2y2 -0.000589 -0.016103 0.061607 -0.034941 -0.058045 -0.057737 2C 2dxy 0.010770 0.040903 0.036343 -0.002745 -0.037064 -0.088570 2C 1f0 -0.016002 -0.019293 0.005718 0.002133 -0.006997 0.029914 2C 1f+1 0.006896 0.014152 -0.001221 -0.003997 0.000741 -0.028261 2C 1f-1 -0.009404 -0.006464 -0.004261 0.006061 0.003401 0.013686 2C 1f+2 0.012733 0.011800 0.001195 -0.003114 0.001352 -0.018055 2C 1f-2 0.013711 0.017381 -0.001667 -0.005363 0.002662 -0.039732 2C 1f+3 0.008662 0.013396 0.002140 -0.005784 -0.000243 -0.024949 2C 1f-3 -0.004978 -0.002091 0.009534 -0.003802 -0.010609 -0.001059 3C 1s -0.000359 -0.000035 -0.000644 0.000570 -0.000237 0.000148 3C 2s -0.000305 0.000037 -0.000918 0.000933 -0.000240 -0.000179 3C 3s -0.017922 -0.007127 0.000175 0.004117 -0.000989 0.002700 3C 4s 0.098652 0.062430 0.011666 -0.018305 0.025040 -0.012322 3C 5s -0.047395 0.032860 0.223826 -0.167216 0.118143 0.150487 3C 1pz 0.000693 -0.001778 0.003903 -0.005402 0.000637 0.004151 3C 1px -0.003833 0.001497 -0.016073 0.022259 -0.000033 -0.017229 3C 1py 0.001102 0.002396 -0.001958 0.001994 0.001556 -0.001478 3C 2pz 0.012635 0.051727 -0.063047 0.107866 -0.002384 -0.087655 3C 2px 0.056116 -0.032698 0.185203 -0.303653 0.007932 0.240934 3C 2py -0.040290 -0.066940 0.062346 -0.091318 -0.026206 0.068563 3C 3pz -0.018254 -0.006788 0.004764 0.012959 0.026959 0.008096 3C 3px 0.027728 -0.020103 0.063781 -0.066490 0.061233 0.072026 3C 3py 0.013414 -0.020177 -0.026268 0.018776 0.005686 -0.019041 3C 1dz2 -0.000502 0.004640 0.005051 -0.001465 0.001235 -0.005140 3C 1dxz 0.003849 -0.007717 -0.011756 0.007297 -0.001244 0.006470 3C 1dyz 0.000603 -0.003254 -0.007226 0.000779 -0.005125 0.007615 3C 1dx2y2 -0.000384 -0.005759 -0.006771 0.000085 -0.003596 0.010243 3C 1dxy -0.008020 0.004237 0.012331 0.000173 0.010254 -0.011744 3C 2dz2 -0.019135 -0.007039 -0.009023 0.034482 0.008906 -0.030581 3C 2dxz 0.027590 0.024785 -0.030638 0.010950 -0.029404 0.006177 3C 2dyz -0.004061 -0.022607 0.012439 -0.033927 -0.016511 0.042062 3C 2dx2y2 0.017192 -0.019741 0.048569 -0.091359 -0.009505 0.077870 3C 2dxy -0.033285 0.020859 -0.049263 0.104414 0.001752 -0.115795 3C 1f0 -0.002536 0.001399 -0.001841 0.006261 0.000671 -0.007839 3C 1f+1 0.000522 -0.001453 0.013529 -0.011877 0.005117 0.003348 3C 1f-1 0.005034 -0.006502 -0.001149 -0.009368 -0.004545 0.016724 3C 1f+2 0.006035 -0.007430 -0.003649 -0.014892 -0.008355 0.032830 3C 1f-2 -0.009399 0.007074 0.006808 0.003292 0.004993 -0.014823 3C 1f+3 0.013747 -0.008666 -0.008148 -0.010709 -0.010942 0.027939 3C 1f-3 0.012389 -0.009853 -0.010565 -0.012241 -0.014363 0.033885 4C 1s 0.003608 0.003657 0.001016 -0.000594 0.000542 0.001090 4C 2s 0.010636 0.007976 0.002739 -0.002207 0.001079 0.002212 4C 3s -0.138174 0.021602 -0.005854 0.026313 -0.013010 -0.009861 4C 4s 0.188177 -0.453100 -0.054506 -0.031392 -0.021781 -0.074572 4C 5s -0.060196 -0.221999 -0.154962 0.036979 0.147801 0.026141 4C 1pz -0.004200 0.008530 0.072403 -0.026557 -0.067673 -0.097305 4C 1px -0.051669 -0.076471 -0.243970 0.091023 0.206206 0.300643 4C 1py -0.021285 -0.022554 -0.047918 0.018994 0.036013 0.054242 4C 2pz 0.021359 -0.071629 0.332028 -0.058844 -0.233216 -0.390606 4C 2px -0.297269 -0.112549 -1.293994 0.369024 0.844997 1.092335 4C 2py -0.098137 -0.077488 -0.291250 0.096331 0.183267 0.179364 4C 3pz 0.228627 -0.032628 0.232853 -0.168034 -0.341043 -0.163876 4C 3px -0.125442 -0.043906 -0.580013 0.206898 0.592754 0.516309 4C 3py 0.083559 -0.036588 -0.060978 -0.006575 -0.004291 0.090248 4C 1dz2 0.033918 0.033915 0.060550 -0.037199 -0.037045 -0.090016 4C 1dxz -0.028053 -0.015010 -0.094854 0.057957 0.068469 0.159928 4C 1dyz -0.003690 0.010396 0.002125 0.017911 -0.003558 -0.008517 4C 1dx2y2 -0.027184 -0.029073 -0.011926 0.026962 -0.004332 0.001700 4C 1dxy -0.028623 -0.062459 -0.077505 -0.002449 0.058231 0.115910 4C 2dz2 0.005854 -0.097144 -0.017855 -0.011995 0.109345 0.121134 4C 2dxz -0.049696 0.073330 0.082671 0.026892 -0.208750 -0.200456 4C 2dyz 0.017450 -0.059717 0.001655 0.071358 -0.016975 0.006547 4C 2dx2y2 0.025789 0.035623 -0.027200 0.067260 -0.012771 -0.014469 4C 2dxy 0.026730 -0.043739 0.042977 -0.197602 -0.114755 -0.143064 4C 1f0 0.020275 0.028022 -0.098847 -0.028384 0.108285 0.002666 4C 1f+1 -0.048829 -0.010417 0.092806 0.033588 -0.105787 0.004639 4C 1f-1 -0.003364 0.012092 -0.027967 0.041637 0.024702 -0.006513 4C 1f+2 0.008729 -0.025709 0.073864 0.007865 -0.067211 -0.004367 4C 1f-2 -0.040376 -0.062345 0.108913 -0.050335 -0.113738 0.004457 4C 1f+3 -0.009418 -0.061060 0.100064 -0.074912 -0.080137 0.005785 4C 1f-3 -0.011158 -0.012033 0.029848 -0.015749 -0.012051 0.003173 5C 1s -0.002986 0.004928 0.000561 -0.000535 0.001163 0.001285 5C 2s -0.007659 0.010609 0.001296 -0.001019 0.002818 0.003452 5C 3s 0.077191 0.013899 0.011661 -0.025447 0.003673 -0.004471 5C 4s -0.028350 -0.525239 -0.091343 0.138672 -0.141009 -0.143004 5C 5s 0.028532 -0.210329 -0.145855 0.148432 -0.105100 -0.111508 5C 1pz 0.027772 -0.028066 0.065827 -0.097673 -0.006687 0.077619 5C 1px -0.059499 0.043038 -0.211939 0.309433 0.007274 -0.251674 5C 1py -0.023448 0.028671 -0.036233 0.053934 0.006664 -0.041468 5C 2pz 0.160522 -0.122929 0.362999 -0.353474 -0.023437 0.256421 5C 2px -0.341617 0.074694 -1.179047 1.180082 -0.000091 -0.956797 5C 2py -0.149491 0.129153 -0.164529 0.165934 0.040917 -0.089843 5C 3pz 0.039367 -0.054037 0.197836 -0.226275 0.039716 0.166779 5C 3px -0.204852 0.040877 -0.506799 0.714747 -0.088943 -0.376212 5C 3py 0.015291 0.094109 -0.143224 0.120771 -0.054779 -0.138270 5C 1dz2 0.011585 0.024265 0.031714 -0.056241 -0.019139 0.046088 5C 1dxz -0.045423 0.017739 -0.035686 0.071473 0.044435 -0.050396 5C 1dyz -0.023392 0.026725 -0.036294 0.058693 0.009558 -0.057089 5C 1dx2y2 -0.010222 -0.023903 -0.053331 0.082866 0.004012 -0.087514 5C 1dxy 0.036088 -0.068746 0.076142 -0.113143 0.002516 0.139094 5C 2dz2 0.035080 0.097061 0.002861 0.035442 -0.072715 -0.072216 5C 2dxz -0.039104 -0.096474 0.043975 -0.112224 0.128303 0.138770 5C 2dyz 0.010976 0.072237 0.021612 -0.118778 0.029265 0.074142 5C 2dx2y2 -0.005643 -0.019022 0.009203 -0.094840 0.028547 0.085600 5C 2dxy -0.001608 -0.016991 -0.031190 0.271754 0.100058 -0.102029 5C 1f0 0.005132 0.030547 -0.052082 0.014867 -0.052575 -0.011558 5C 1f+1 0.000208 -0.007373 0.024232 -0.000282 0.046700 0.015604 5C 1f-1 -0.015948 -0.001353 0.048316 -0.032647 0.045009 0.002210 5C 1f+2 -0.021455 0.013998 0.128816 -0.084477 0.062496 -0.001946 5C 1f-2 0.015471 0.005604 -0.041208 0.036252 -0.047350 -0.002185 5C 1f+3 0.011350 0.067313 0.130016 -0.114765 -0.009310 -0.033658 5C 1f-3 -0.020057 0.031211 0.111398 -0.089978 0.025959 -0.021476 6C 1s 0.003350 0.004741 -0.000512 -0.000662 0.001762 0.000053 6C 2s 0.008450 0.010303 -0.001197 -0.001406 0.004542 -0.000164 6C 3s -0.075613 0.011689 -0.011639 -0.022331 -0.002496 0.005766 6C 4s -0.013005 -0.501435 0.087235 0.140878 -0.196564 -0.010527 6C 5s -0.043863 -0.199262 0.144422 0.157037 -0.151695 -0.000946 6C 1pz 0.031418 0.025143 0.062998 0.101181 -0.048605 0.057845 6C 1px -0.067542 -0.034398 -0.202528 -0.321505 0.168241 -0.176421 6C 1py -0.026458 -0.026774 -0.034688 -0.055404 0.023523 -0.033250 6C 2pz 0.171480 0.103925 0.353189 0.367598 -0.157059 0.192329 6C 2px -0.350620 -0.031010 -1.146321 -1.235160 0.653363 -0.647078 6C 2py -0.159936 -0.111825 -0.159489 -0.168767 0.029991 -0.091910 6C 3pz 0.042317 0.040776 0.192132 0.238112 -0.143712 0.085482 6C 3px -0.207785 -0.021723 -0.489105 -0.735213 0.317521 -0.186338 6C 3py 0.010272 -0.083465 -0.140368 -0.132624 0.136286 -0.057998 6C 1dz2 -0.011067 0.025610 -0.029660 -0.058756 0.018296 -0.044438 6C 1dxz 0.048568 0.013242 0.033200 0.073667 -0.002955 0.066087 6C 1dyz 0.026888 0.024090 0.034659 0.060935 -0.032614 0.046146 6C 1dx2y2 0.010270 -0.025806 0.050646 0.086797 -0.057876 0.061952 6C 1dxy -0.043801 -0.063979 -0.073271 -0.118355 0.098229 -0.094569 6C 2dz2 -0.027456 0.095941 -0.002995 0.036864 -0.103005 -0.000548 6C 2dxz 0.029502 -0.100794 -0.042256 -0.115040 0.187306 -0.003367 6C 2dyz -0.005413 0.070561 -0.018368 -0.120495 0.072243 -0.029169 6C 2dx2y2 0.004957 -0.016103 -0.006347 -0.097168 0.081049 -0.040766 6C 2dxy 0.005437 -0.017116 0.021783 0.276995 0.000801 0.135602 6C 1f0 0.004393 -0.030119 -0.052356 -0.015908 0.044746 0.029332 6C 1f+1 -0.000432 0.007802 0.024912 0.000426 -0.043633 -0.022460 6C 1f-1 -0.017639 0.001968 0.047860 0.033729 -0.032816 -0.031255 6C 1f+2 -0.026456 -0.013252 0.126877 0.087776 -0.041121 -0.047802 6C 1f-2 0.016310 -0.007963 -0.040582 -0.036703 0.034332 0.032866 6C 1f+3 0.002760 -0.067324 0.126272 0.117315 0.032848 -0.020457 6C 1f-3 -0.025930 -0.032103 0.108689 0.092810 -0.001749 -0.036119 7C 1s -0.003165 0.004002 -0.001048 -0.000523 0.001184 -0.000350 7C 2s -0.009661 0.009121 -0.002790 -0.001935 0.002410 -0.000657 7C 3s 0.139130 0.002962 0.005396 0.020946 -0.018145 -0.004599 7C 4s -0.234942 -0.415724 0.058725 -0.020336 -0.063892 0.040752 7C 5s 0.040656 -0.221049 0.156283 0.043676 0.129303 0.087334 7C 1pz -0.003804 -0.006989 0.070203 0.027745 0.117797 -0.021144 7C 1px -0.046401 0.078892 -0.237831 -0.093140 -0.361823 0.067864 7C 1py -0.019239 0.024349 -0.046840 -0.019023 -0.064257 0.013174 7C 2pz 0.028450 0.070674 0.325078 0.064655 0.443330 -0.107743 7C 2px -0.286651 0.132290 -1.271243 -0.388862 -1.384704 0.173628 7C 2py -0.090979 0.082780 -0.287003 -0.100599 -0.260373 -0.002088 7C 3pz 0.234520 0.003205 0.227614 0.168738 0.361965 0.120205 7C 3px -0.119085 0.050568 -0.567468 -0.217239 -0.793452 -0.055452 7C 3py 0.090702 0.023914 -0.059129 0.003358 -0.061088 0.064622 7C 1dz2 -0.031743 0.036143 -0.058610 -0.036914 -0.090475 0.037925 7C 1dxz 0.029096 -0.016750 0.091337 0.057764 0.162982 -0.065566 7C 1dyz 0.005556 0.010119 -0.002848 0.017741 -0.008600 0.003020 7C 1dx2y2 0.024792 -0.031269 0.011180 0.026649 -0.001948 -0.004920 7C 1dxy 0.021716 -0.064453 0.077177 -0.002581 0.124251 -0.040596 7C 2dz2 -0.015410 -0.096601 0.016678 -0.013298 0.162966 -0.008353 7C 2dxz 0.059176 0.064571 -0.081514 0.025023 -0.290797 -0.007473 7C 2dyz -0.020601 -0.056697 -0.003941 0.072059 -0.006067 -0.017894 7C 2dx2y2 -0.020751 0.040876 0.025192 0.069856 -0.017802 0.000704 7C 2dxy -0.037005 -0.040200 -0.034195 -0.196256 -0.184166 0.025099 7C 1f0 0.020664 -0.029873 -0.098560 0.024187 -0.078535 -0.076316 7C 1f+1 -0.050764 0.016321 0.092913 -0.028303 0.072214 0.080208 7C 1f-1 -0.005218 -0.011521 -0.026415 -0.042470 -0.013465 -0.021199 7C 1f+2 0.009368 0.024349 0.073491 -0.005477 0.050619 0.045265 7C 1f-2 -0.034949 0.067335 0.106180 0.055910 0.078678 0.084191 7C 1f+3 -0.003364 0.061979 0.096964 0.079489 0.053987 0.060426 7C 1f-3 -0.009822 0.014577 0.029259 0.017646 0.006779 0.011249 8C 1s 0.000344 -0.000035 0.000647 0.000585 -0.000052 -0.000279 8C 2s 0.000303 0.000040 0.000918 0.000977 -0.000288 -0.000054 8C 3s 0.017098 -0.008052 -0.000331 0.003378 0.001434 -0.002566 8C 4s -0.090858 0.066839 -0.011605 -0.015015 0.008237 0.024523 8C 5s 0.051234 0.039455 -0.222985 -0.185582 0.190564 -0.020233 8C 1pz 0.000856 0.001687 0.003764 0.005586 -0.003318 0.002345 8C 1px -0.004085 -0.000938 -0.015422 -0.023095 0.011867 -0.011626 8C 1py 0.000966 -0.002541 -0.001896 -0.002082 -0.000115 -0.002103 8C 2pz 0.006724 -0.049983 -0.060362 -0.113202 0.062663 -0.056882 8C 2px 0.060965 0.026043 0.176019 0.313137 -0.171073 0.158250 8C 2py -0.033102 0.066824 0.059992 0.097519 -0.029116 0.063530 8C 3pz -0.018194 0.007272 0.005519 -0.011864 -0.026139 -0.012918 8C 3px 0.028452 0.016285 0.063179 0.069989 -0.092714 0.006484 8C 3py 0.015250 0.021293 -0.025808 -0.021760 0.009680 -0.017301 8C 1dz2 0.001162 0.004682 -0.004931 -0.001393 -0.002809 0.004589 8C 1dxz -0.004867 -0.007544 0.011455 0.007529 0.003869 -0.005733 8C 1dyz -0.001391 -0.002985 0.007272 0.000638 0.001863 -0.009020 8C 1dx2y2 -0.000668 -0.005510 0.006754 -0.000202 0.004841 -0.009771 8C 1dxy 0.009281 0.003779 -0.012482 0.000043 -0.001078 0.015686 8C 2dz2 0.019442 -0.008484 0.008703 0.036316 -0.015548 0.027373 8C 2dxz -0.026961 0.026419 0.030593 0.011463 -0.015826 -0.025690 8C 2dyz 0.000874 -0.021430 -0.011208 -0.035857 0.017860 -0.040045 8C 2dx2y2 -0.020247 -0.017313 -0.046715 -0.095894 0.047542 -0.059635 8C 2dxy 0.036492 0.017394 0.045721 0.107192 -0.078794 0.080910 8C 1f0 -0.002926 -0.001214 -0.001376 -0.006163 0.004869 -0.005872 8C 1f+1 0.000258 0.001319 0.013155 0.012167 -0.005727 -0.001448 8C 1f-1 0.006078 0.005947 -0.001435 0.009758 -0.008556 0.014868 8C 1f+2 0.007720 0.006612 -0.004141 0.015726 -0.017235 0.028843 8C 1f-2 -0.010427 -0.006426 0.006783 -0.003439 0.006935 -0.014088 8C 1f+3 0.015370 0.007551 -0.008420 0.011144 -0.011984 0.027414 8C 1f-3 0.014702 0.008640 -0.011061 0.012820 -0.013797 0.033855 9C 1s -0.000379 0.000100 0.000700 0.000171 0.000686 0.000592 9C 2s -0.000181 -0.000012 0.001121 0.000413 0.001259 0.000619 9C 3s -0.023036 0.001476 -0.003476 -0.009787 0.005350 -0.007329 9C 4s 0.113648 0.037249 0.007288 0.032240 -0.039433 0.029791 9C 5s -0.252150 0.147068 -0.225705 -0.167731 -0.323976 -0.211348 9C 1pz 0.001387 0.002421 0.004783 0.001371 0.005948 0.000276 9C 1px -0.001717 0.002327 -0.017690 -0.006372 -0.026467 0.003144 9C 1py -0.001911 0.001870 -0.003811 0.000365 -0.007780 0.001204 9C 2pz -0.077701 -0.048181 -0.130730 -0.052927 -0.164618 -0.011427 9C 2px 0.001232 -0.051929 0.202942 0.091536 0.364895 -0.062091 9C 2py -0.026582 -0.049349 0.005551 -0.015152 0.059205 -0.026235 9C 3pz 0.039333 -0.034980 0.020086 -0.007221 0.042105 0.037311 9C 3px 0.044337 0.004176 0.067348 0.037891 0.089885 0.015029 9C 3py 0.036909 -0.007275 0.029900 0.068243 0.039927 0.016541 9C 1dz2 0.007797 -0.009368 -0.003557 0.001046 0.003520 -0.010095 9C 1dxz -0.003731 0.016084 0.012610 0.004044 -0.002007 0.018579 9C 1dyz 0.007135 -0.000698 -0.000148 0.002744 -0.000553 -0.002061 9C 1dx2y2 -0.001681 0.001383 -0.004741 0.001622 -0.005240 -0.000890 9C 1dxy -0.005277 0.008836 0.009039 -0.003929 -0.000289 0.014538 9C 2dz2 0.033150 -0.005907 0.061803 0.030577 0.105511 -0.019304 9C 2dxz -0.039098 0.039553 -0.035609 -0.026446 -0.100346 0.051361 9C 2dyz 0.030567 0.013327 0.007321 -0.000973 -0.009517 0.013373 9C 2dx2y2 -0.001789 -0.017128 -0.059435 -0.035920 -0.082277 -0.000384 9C 2dxy -0.006158 0.041082 -0.037927 -0.003305 -0.092557 0.036514 9C 1f0 -0.014376 0.020734 0.005632 -0.000928 -0.016271 0.026272 9C 1f+1 0.005901 -0.014485 -0.001077 0.003300 0.019858 -0.020462 9C 1f-1 -0.009139 0.007500 -0.004012 -0.005665 -0.012289 0.007619 9C 1f+2 0.011870 -0.013068 0.000971 0.002491 0.011636 -0.013967 9C 1f-2 0.012728 -0.018681 -0.002144 0.004179 0.026178 -0.030429 9C 1f+3 0.007983 -0.014231 0.001516 0.005032 0.017705 -0.018022 9C 1f-3 -0.004816 0.002456 0.009017 0.004210 0.008147 0.006660 10H 1s 0.011867 0.011549 -0.006238 0.000532 0.006198 -0.010611 10H 2s 0.016017 0.016249 -0.146771 0.057251 0.151862 0.140430 10H 3s -0.028007 -0.002623 0.008602 0.010035 -0.009876 -0.056988 10H 1pz 0.001099 0.005346 -0.037316 0.014645 0.035596 0.034501 10H 1px -0.006937 -0.008665 0.027756 -0.008451 -0.028595 -0.015862 10H 1py 0.002500 -0.000675 -0.017435 0.001178 0.017519 0.016002 11H 1s -0.001795 0.007185 0.016373 -0.002062 -0.017016 -0.012877 11H 2s -0.024549 0.001053 -0.035910 -0.000391 0.041103 0.013855 11H 3s -0.006866 -0.013239 -0.024748 0.052609 0.031479 0.016771 11H 1pz -0.000584 0.001262 -0.005174 -0.002292 0.007211 0.001294 11H 1px -0.004054 -0.000646 -0.000572 -0.005282 0.001236 -0.000920 11H 1py 0.004166 -0.003077 0.004149 -0.002730 -0.003470 -0.003862 12H 1s 0.002014 -0.001834 0.021997 -0.012391 -0.020903 -0.013498 12H 2s -0.009610 -0.003686 0.002110 -0.002943 -0.003969 -0.029172 12H 3s -0.016433 -0.037386 -0.038312 -0.028108 0.068571 0.044813 12H 1pz 0.002579 0.001366 0.002518 -0.000091 -0.001869 -0.006908 12H 1px -0.003087 0.001811 0.006572 -0.000362 -0.007091 -0.009335 12H 1py -0.000363 0.000503 0.006480 -0.001063 -0.006997 -0.008560 13H 1s 0.003557 0.001025 -0.010862 0.002215 -0.007308 0.008167 13H 2s -0.008087 0.034318 -0.120351 0.164698 -0.027480 -0.101129 13H 3s -0.000665 -0.012116 0.001540 -0.040399 -0.033233 0.024320 13H 1pz -0.003715 0.002306 -0.028373 0.035857 -0.003934 -0.015697 13H 1px -0.001746 -0.006310 0.017531 -0.017284 0.006685 0.007212 13H 1py 0.001958 -0.007904 0.025607 -0.034028 0.004580 0.023534 14H 1s -0.003043 -0.003739 0.020644 -0.019216 0.009383 0.010263 14H 2s -0.019933 -0.017125 0.025948 -0.038778 0.001591 0.040993 14H 3s 0.006047 -0.020921 -0.041753 0.071040 0.036764 -0.021691 14H 1pz -0.003950 0.000190 0.006483 -0.006910 0.000548 0.005548 14H 1px -0.003152 -0.001408 0.014694 -0.017965 0.000903 0.012247 14H 1py -0.002082 0.001561 -0.003127 0.007482 0.002823 -0.009172 15H 1s 0.004459 0.003924 0.011837 -0.016095 0.000471 0.006670 15H 2s -0.008449 0.001398 -0.031067 0.032614 0.007686 -0.006226 15H 3s 0.002716 0.005874 -0.025041 0.019403 -0.038543 -0.020793 15H 1pz -0.000144 -0.002135 0.001305 -0.002480 -0.002604 0.002099 15H 1px -0.002339 -0.004417 0.002430 -0.001799 0.004304 0.002860 15H 1py 0.004239 0.000518 0.006063 -0.006337 -0.002260 -0.001594 16H 1s -0.572797 -0.506941 0.136954 0.139681 -0.010294 -0.298664 16H 2s -0.859650 -0.786687 0.193682 0.214255 -0.015788 -0.538819 16H 3s 0.055880 0.062371 -0.071007 -0.023638 0.003090 0.042924 16H 1pz -0.573602 -0.515102 0.133465 0.132542 -0.017042 -0.312803 16H 1px 0.083104 0.078596 -0.017433 -0.018726 -0.002384 0.020352 16H 1py -0.316109 -0.280288 0.070892 0.063836 -0.025244 -0.137290 17H 1s -0.550205 -0.486875 0.097737 -0.056831 -0.262013 0.250514 17H 2s -0.804545 -0.742549 0.128737 -0.101235 -0.451858 0.409895 17H 3s 0.055739 0.059072 -0.072097 0.008460 0.037445 -0.046094 17H 1pz 0.307164 0.275441 -0.053400 0.024705 0.160631 -0.155804 17H 1px 0.393249 0.356021 -0.067165 0.048330 0.192657 -0.163442 17H 1py -0.382937 -0.342120 0.067359 -0.022422 -0.172256 0.145861 18H 1s 0.502505 -0.535360 -0.093915 -0.076166 -0.007803 -0.362094 18H 2s 0.730612 -0.811367 -0.122036 -0.135492 -0.033437 -0.606188 18H 3s -0.049843 0.064034 0.071722 0.013361 -0.005884 0.059405 18H 1pz 0.289602 -0.312596 -0.053467 -0.037583 -0.004318 -0.228678 18H 1px 0.359166 -0.391346 -0.064366 -0.062915 -0.022358 -0.252008 18H 1py -0.340230 0.365794 0.063669 0.034210 0.018248 0.218546 19H 1s 0.523902 -0.558268 -0.140359 0.135448 -0.219140 0.192088 19H 2s 0.786100 -0.866714 -0.199171 0.204286 -0.394743 0.353553 19H 3s -0.049719 0.066661 0.071640 -0.021669 0.033225 -0.026006 19H 1pz -0.517682 0.559962 0.134721 -0.125409 0.231583 -0.196914 19H 1px 0.080338 -0.091301 -0.019294 0.017525 -0.014444 0.016023 19H 1py -0.300245 0.320714 0.075359 -0.063118 0.120693 -0.077269 20H 1s -0.004270 0.004391 -0.011671 -0.016992 0.004906 -0.004166 20H 2s 0.008631 0.000156 0.030462 0.034158 0.001402 0.009054 20H 3s -0.002406 0.005238 0.025452 0.021263 -0.042585 -0.012786 20H 1pz 0.000164 0.002070 0.001225 0.002678 0.000322 0.003226 20H 1px -0.002113 0.004541 0.002419 0.001893 -0.005085 -0.001040 20H 1py 0.004129 -0.000880 0.005898 0.006421 0.002881 0.000315 21H 1s 0.002867 -0.003756 -0.020252 -0.020186 0.013702 -0.000299 21H 2s 0.018839 -0.018185 -0.023228 -0.038497 0.028166 -0.026556 21H 3s -0.007032 -0.021154 0.039322 0.073607 0.011602 0.039475 21H 1pz -0.004087 0.000037 0.006035 0.007010 -0.004088 0.003329 21H 1px -0.003082 0.001470 0.013772 0.018222 -0.008672 0.007538 21H 1py -0.002375 -0.001232 -0.002747 -0.007652 0.004253 -0.008246 22H 1s -0.004192 0.001267 0.010752 0.001974 0.000929 -0.011072 22H 2s 0.010937 0.031869 0.116856 0.171590 -0.088618 0.048403 22H 3s -0.000664 -0.011921 0.000420 -0.040815 -0.006291 -0.039640 22H 1pz -0.003803 -0.001599 -0.027393 -0.037062 0.013238 -0.007499 22H 1px -0.001586 0.006163 0.017267 0.018078 -0.009550 -0.000025 22H 1py 0.002701 0.007411 0.024935 0.035567 -0.019459 0.012589 23H 1s -0.002654 -0.001669 -0.021291 -0.013024 -0.024826 -0.004987 23H 2s 0.008804 -0.005006 0.001093 -0.000898 -0.019523 0.017691 23H 3s 0.013096 -0.038646 0.038434 -0.027209 0.079845 0.018259 23H 1pz 0.002432 -0.001567 0.002361 -0.000171 0.005942 -0.003539 23H 1px -0.003277 -0.001425 0.006049 0.000234 0.011153 -0.001443 23H 1py -0.000335 -0.000428 0.005600 0.000749 0.010186 -0.001204 24H 1s 0.002655 0.006961 -0.016577 -0.002556 -0.021902 -0.003099 24H 2s 0.025417 -0.001057 0.035389 0.000419 0.038734 0.019823 24H 3s 0.006874 -0.014826 0.023781 0.054739 0.036053 0.009194 24H 1pz -0.000760 -0.001308 -0.005008 0.002090 -0.005842 -0.004401 24H 1px -0.004019 0.000946 -0.000732 0.005338 -0.000089 -0.001716 24H 1py 0.004569 0.002674 0.003949 0.002776 0.005237 -0.000454 25H 1s -0.011070 0.012789 0.005952 0.001080 -0.003383 0.012175 25H 2s -0.014427 0.019125 0.143995 0.060474 0.210137 0.008884 25H 3s 0.028187 -0.006125 -0.007905 0.009292 -0.046566 0.033279 25H 1pz 0.000580 -0.005934 -0.036689 -0.015533 -0.050378 -0.001059 25H 1px -0.006298 0.009466 0.027242 0.009253 0.031935 0.009236 25H 1py 0.002782 0.000403 -0.017114 -0.001519 -0.023864 -0.001110 26O 1s 0.001628 0.001520 0.003875 -0.001479 -0.002988 -0.002715 26O 2s 0.005374 0.004970 0.012735 -0.004593 -0.009009 -0.008960 26O 3s -0.056206 -0.050882 -0.163355 0.049503 0.103709 0.092845 26O 4s 0.010395 -0.044945 0.186279 -0.005814 -0.078728 0.158807 26O 5s 0.387512 0.549252 1.355105 -0.351760 -0.575327 -1.412122 26O 1pz -0.010283 -0.007365 0.030445 0.002475 -0.033315 -0.019607 26O 1px 0.042859 0.050885 0.085484 -0.026881 -0.046557 -0.090314 26O 1py 0.016360 0.008557 0.049017 -0.026934 -0.033026 -0.045580 26O 2pz 0.043558 0.019752 -0.162054 0.001146 0.172090 0.104123 26O 2px -0.124833 -0.169419 -0.361690 0.077433 0.156770 0.284181 26O 2py -0.046766 -0.024304 -0.227524 0.109096 0.144888 0.168017 26O 3pz 0.003376 0.079973 -0.187411 -0.014981 0.383771 0.066810 26O 3px -0.081327 -0.127639 -0.617981 0.140855 0.520087 0.549600 26O 3py -0.006492 0.057262 -0.365131 0.270009 0.387330 0.226337 26O 1dz2 0.063015 0.013117 0.161280 -0.037037 -0.133332 -0.125501 26O 1dxz -0.029905 -0.043799 -0.180292 -0.011097 0.159562 0.171229 26O 1dyz -0.055007 -0.104341 -0.102705 0.019305 0.103170 0.224386 26O 1dx2y2 -0.032461 -0.096628 -0.175561 0.007919 0.147757 0.201380 26O 1dxy -0.106781 -0.071748 -0.308799 0.208739 0.233943 0.349750 26O 2dz2 -0.075700 -0.042564 -0.202854 0.057191 0.154704 0.172608 26O 2dxz 0.013264 0.024059 0.282799 0.010853 -0.264413 -0.211895 26O 2dyz 0.048687 0.088215 0.160017 -0.025648 -0.148873 -0.242685 26O 2dx2y2 0.056714 0.148023 0.200795 0.009409 -0.148098 -0.251750 26O 2dxy 0.121758 0.078994 0.417040 -0.264082 -0.306018 -0.422898 26O 1f0 -0.009659 -0.003068 0.089071 0.010964 -0.089127 -0.037449 26O 1f+1 0.044817 0.057530 0.046398 -0.021829 -0.022653 -0.088685 26O 1f-1 0.016011 0.021922 0.043761 -0.039690 -0.038955 -0.065280 26O 1f+2 0.006868 0.001071 -0.066443 -0.010020 0.067447 0.033625 26O 1f-2 0.001963 0.009649 -0.099923 0.002333 0.096130 0.037172 26O 1f+3 0.021140 0.070660 -0.015267 0.053269 0.013528 -0.049827 26O 1f-3 0.059406 0.049000 0.133650 -0.081971 -0.093791 -0.137911 27O 1s 0.000338 0.000860 0.003262 -0.004060 0.000578 0.002775 27O 2s 0.001422 0.002756 0.010815 -0.012709 0.001537 0.009272 27O 3s -0.023901 -0.039956 -0.143756 0.145730 -0.019617 -0.102219 27O 4s 0.018471 0.100116 0.192615 -0.042260 0.067236 -0.098894 27O 5s 0.449050 0.173193 1.179691 -1.207332 -0.097629 1.396925 27O 1pz -0.004595 -0.014021 0.011638 -0.009606 0.012229 0.001518 27O 1px 0.012657 0.007887 0.081122 -0.095454 0.001632 0.097963 27O 1py -0.002490 -0.003879 -0.038908 0.048276 0.003798 -0.017856 27O 2pz 0.022293 0.059949 -0.068802 0.071197 -0.057365 -0.026942 27O 2px -0.086474 -0.063158 -0.367260 0.342145 -0.015998 -0.335769 27O 2py 0.023755 0.031458 0.194105 -0.231806 -0.007210 0.085699 27O 3pz 0.021843 0.084132 -0.049910 0.077658 -0.189901 0.008706 27O 3px -0.138730 0.001918 -0.628500 0.785518 -0.089201 -0.535131 27O 3py 0.010612 -0.044608 0.242496 -0.420823 -0.008035 0.018062 27O 1dz2 0.049174 0.004995 0.177202 -0.261002 0.041191 0.251884 27O 1dxz 0.011835 0.111539 -0.065674 0.042507 -0.076854 -0.071228 27O 1dyz 0.011842 -0.009879 0.016701 -0.085109 -0.005817 0.128441 27O 1dx2y2 0.009409 0.039869 -0.237969 0.290307 -0.028170 -0.240949 27O 1dxy 0.083812 0.012502 0.225965 -0.350156 -0.070584 0.224533 27O 2dz2 -0.062072 -0.013939 -0.239876 0.325139 -0.044809 -0.307209 27O 2dxz -0.024759 -0.123160 0.123920 -0.082801 0.124940 0.082347 27O 2dyz -0.010227 0.010837 -0.028903 0.082071 -0.004087 -0.133191 27O 2dx2y2 0.017491 -0.034895 0.289890 -0.353044 0.034262 0.327187 27O 2dxy -0.093502 -0.050970 -0.348196 0.477785 0.065892 -0.264286 27O 1f0 -0.016844 -0.020915 0.038561 0.001082 0.047684 -0.012548 27O 1f+1 0.012820 -0.005209 0.089940 -0.114672 0.019161 0.112094 27O 1f-1 0.000498 -0.007650 -0.049317 0.057998 -0.004657 -0.025179 27O 1f+2 0.017122 0.027696 -0.053731 0.035179 -0.056263 -0.010285 27O 1f-2 -0.010546 -0.001252 0.024731 -0.010838 0.028232 0.005048 27O 1f+3 0.017286 -0.034958 0.029902 -0.067813 0.003029 0.125277 27O 1f-3 -0.020946 -0.048545 -0.152982 0.183952 0.009764 -0.067544 28O 1s -0.000321 0.000771 -0.002581 0.000712 0.002812 0.003163 28O 2s -0.001372 0.002408 -0.008782 0.002363 0.008452 0.010428 28O 3s 0.028668 -0.039240 0.114240 -0.028573 -0.093700 -0.113326 28O 4s -0.074159 0.135301 -0.061135 -0.009305 0.015530 -0.126267 28O 5s -0.368204 0.090716 -1.313675 0.376654 0.700216 1.503110 28O 1pz 0.003084 -0.009955 -0.068838 0.015213 0.055509 0.071141 28O 1px 0.001721 -0.003503 0.051817 -0.017213 -0.031103 -0.078817 28O 1py 0.003466 0.000646 -0.025606 0.020688 0.020847 0.012224 28O 2pz 0.031702 0.005167 0.311747 -0.066181 -0.230751 -0.266209 28O 2px -0.064212 0.051700 -0.203070 0.064144 0.073337 0.244529 28O 2py -0.003321 -0.016331 0.124575 -0.094074 -0.106474 -0.066516 28O 3pz 0.074383 0.068855 0.503502 -0.116061 -0.636153 -0.439959 28O 3px -0.124516 0.053953 -0.449456 0.201301 0.323858 0.496278 28O 3py 0.010180 0.015093 0.125127 -0.222916 -0.200839 -0.051037 28O 1dz2 0.023048 0.096484 0.158432 -0.019175 -0.146109 -0.189900 28O 1dxz -0.000321 -0.059998 -0.324136 0.063228 0.297756 0.378471 28O 1dyz 0.064927 -0.006152 0.134898 -0.114816 -0.125503 -0.243095 28O 1dx2y2 -0.035151 -0.016648 0.106349 -0.074435 -0.090868 -0.157916 28O 1dxy -0.021312 -0.004954 -0.104455 0.128169 0.060031 0.047685 28O 2dz2 -0.012345 -0.077953 -0.240727 0.012621 0.231622 0.220951 28O 2dxz 0.026349 0.046636 0.424733 -0.090185 -0.375606 -0.486229 28O 2dyz -0.059615 0.035326 -0.196364 0.147897 0.171490 0.265271 28O 2dx2y2 0.005051 0.012100 -0.107738 0.085249 0.072014 0.207201 28O 2dxy 0.019179 -0.021248 0.160011 -0.172648 -0.112131 -0.072966 28O 1f0 -0.015135 -0.015100 0.001497 0.018567 -0.015597 0.056641 28O 1f+1 0.013941 -0.009131 -0.148530 -0.001193 0.149301 0.107941 28O 1f-1 -0.012271 -0.028245 0.043395 -0.015401 -0.037010 -0.002869 28O 1f+2 0.019512 0.022825 0.078562 -0.030826 -0.066035 -0.151249 28O 1f-2 0.003986 0.039509 -0.095990 0.076453 0.089678 0.055645 28O 1f+3 0.012289 0.016482 -0.000529 -0.013385 0.012302 -0.061863 28O 1f-3 -0.006682 0.021393 -0.047724 0.059135 0.030697 0.018916 29O 1s 0.015846 0.013784 -0.003638 -0.001264 0.003737 0.000526 29O 2s 0.055717 0.048789 -0.012778 -0.004344 0.013387 0.002121 29O 3s -0.862575 -0.759928 0.192331 0.066002 -0.213286 -0.038150 29O 4s 2.013238 1.755249 -0.413058 -0.154328 0.499613 0.092806 29O 5s 0.321464 0.411817 -0.241045 -0.010450 0.132758 0.047248 29O 1pz 0.060263 0.053518 -0.016590 -0.046133 -0.037616 0.112827 29O 1px -0.113231 -0.098166 0.010699 -0.006517 -0.049263 0.033049 29O 1py 0.140019 0.127860 -0.036509 -0.005166 0.038000 -0.004261 29O 2pz -0.330706 -0.294237 0.096281 0.244443 0.214258 -0.654934 29O 2px 0.597600 0.528374 -0.067483 0.035780 0.265547 -0.196269 29O 2py -0.835907 -0.755820 0.195481 0.039998 -0.240100 0.014145 29O 3pz -0.084908 -0.054883 -0.005760 0.038406 0.045788 -0.192746 29O 3px 0.124835 0.066160 0.047628 -0.000393 0.057370 -0.056067 29O 3py -0.152266 -0.145056 -0.015455 0.022911 -0.089073 -0.018973 29O 1dz2 -0.384948 -0.336385 0.085360 0.052841 -0.045678 -0.148673 29O 1dxz -0.301697 -0.268914 0.050672 0.004656 -0.103930 0.126211 29O 1dyz -0.022258 -0.017859 0.021455 0.116263 0.101738 -0.212378 29O 1dx2y2 0.096247 0.079144 -0.039498 0.007713 0.008292 0.047952 29O 1dxy 0.193414 0.158333 -0.045837 0.004637 0.125648 -0.068724 29O 2dz2 0.659870 0.582319 -0.146418 -0.123753 0.047912 0.305724 29O 2dxz 0.479767 0.426692 -0.073650 0.031823 0.216580 -0.244067 29O 2dyz 0.073784 0.063547 -0.044968 -0.193350 -0.200603 0.452177 29O 2dx2y2 -0.130033 -0.107116 0.036069 0.010756 0.000466 -0.087068 29O 2dxy -0.419764 -0.363354 0.081742 -0.027771 -0.226216 0.163545 29O 1f0 -0.385545 -0.341662 0.078446 0.030540 -0.085672 -0.042103 29O 1f+1 0.146349 0.129724 -0.026216 -0.003858 0.046357 -0.017762 29O 1f-1 -0.461119 -0.411417 0.100076 0.070756 -0.049082 -0.155461 29O 1f+2 0.141662 0.124520 -0.031772 -0.035390 0.010764 0.064444 29O 1f-2 -0.295775 -0.264751 0.047975 -0.032550 -0.156611 0.176758 29O 1f+3 0.095509 0.083924 -0.014922 0.009303 0.055080 -0.049871 29O 1f-3 0.109992 0.100100 -0.014214 0.022906 0.057194 -0.092197 30O 1s -0.001764 0.001911 -0.002709 0.003400 0.000173 -0.001716 30O 2s -0.005915 0.006343 -0.009013 0.010514 0.000796 -0.005950 30O 3s 0.070556 -0.074999 0.118098 -0.111040 -0.008162 0.061016 30O 4s -0.072862 0.059120 -0.121770 -0.070561 -0.039475 0.173102 30O 5s -0.470765 0.516282 -1.106333 1.060776 0.266051 -1.237036 30O 1pz -0.013442 0.025604 -0.045393 0.050173 -0.006582 -0.045707 30O 1px 0.036469 -0.040002 0.036071 -0.047562 -0.021534 0.050928 30O 1py 0.021512 -0.011330 0.055046 -0.065968 -0.007841 0.044314 30O 2pz 0.050349 -0.107761 0.205689 -0.179149 0.033827 0.164914 30O 2px -0.133011 0.147833 -0.142229 0.102475 0.082597 -0.146110 30O 2py -0.084016 0.046714 -0.259233 0.261728 0.025916 -0.162997 30O 3pz 0.089615 -0.090725 0.349178 -0.428882 0.210423 0.259118 30O 3px -0.134087 0.156696 -0.337722 0.368000 0.091207 -0.337641 30O 3py -0.103857 -0.016557 -0.422617 0.626311 -0.021501 -0.167812 30O 1dz2 -0.051966 -0.019933 -0.009223 0.075691 0.077519 -0.033034 30O 1dxz -0.061245 0.093861 -0.182247 0.222396 -0.068218 -0.202650 30O 1dyz -0.087656 0.120661 -0.216811 0.360510 0.030198 -0.324338 30O 1dx2y2 -0.031904 -0.020437 -0.055414 0.069176 -0.013717 -0.059257 30O 1dxy 0.085559 0.007217 0.229765 -0.294519 -0.056808 0.147218 30O 2dz2 0.064364 0.020391 -0.003500 -0.069768 -0.118403 0.029907 30O 2dxz 0.082583 -0.141859 0.222459 -0.262888 0.073132 0.258339 30O 2dyz 0.104334 -0.133241 0.316122 -0.446237 -0.015428 0.372015 30O 2dx2y2 0.015742 0.055951 0.129591 -0.135180 0.036711 0.051479 30O 2dxy -0.115976 0.016422 -0.298247 0.375927 0.078011 -0.195333 30O 1f0 -0.037888 0.032149 -0.056248 0.072762 0.013968 -0.055760 30O 1f+1 0.011022 0.033533 -0.035884 0.011819 -0.060832 -0.029569 30O 1f-1 0.001796 0.017569 -0.037829 0.027892 -0.036176 -0.019831 30O 1f+2 0.014166 -0.050396 -0.055101 0.025282 -0.009260 0.048379 30O 1f-2 0.048685 -0.060314 0.127462 -0.169705 0.005488 0.121326 30O 1f+3 -0.017153 -0.020522 -0.103940 0.111159 -0.001044 -0.024697 30O 1f-3 0.045866 -0.031789 0.012546 -0.053339 -0.048882 0.060566 31O 1s 0.001925 0.001715 0.002612 0.003490 -0.001023 0.001283 31O 2s 0.006451 0.005675 0.008716 0.010832 -0.003425 0.004619 31O 3s -0.076100 -0.066107 -0.115024 -0.115074 0.034812 -0.047560 31O 4s 0.068716 0.045237 0.124323 -0.071846 0.095336 -0.146569 31O 5s 0.527452 0.455866 1.075638 1.119640 -0.664825 1.044842 31O 1pz -0.015967 -0.023977 -0.044100 -0.052164 0.035930 -0.026904 31O 1px 0.041414 0.036744 0.034643 0.049406 -0.019649 0.050687 31O 1py 0.022871 0.009135 0.053056 0.068360 -0.024643 0.035858 31O 2pz 0.059279 0.098949 0.201212 0.187516 -0.136512 0.090077 31O 2px -0.149330 -0.133184 -0.139159 -0.109189 0.041358 -0.161687 31O 2py -0.088189 -0.035417 -0.251289 -0.272328 0.091974 -0.129489 31O 3pz 0.093041 0.074734 0.340235 0.443398 -0.325745 0.025549 31O 3px -0.147972 -0.134862 -0.326690 -0.385010 0.167050 -0.296490 31O 3py -0.096392 0.036260 -0.405419 -0.642685 0.125952 -0.089897 31O 1dz2 0.053375 -0.023763 0.005829 0.077132 0.032769 0.076844 31O 1dxz 0.070542 0.087305 0.177015 0.230304 -0.187370 0.090940 31O 1dyz 0.102624 0.109816 0.206290 0.373648 -0.202580 0.243738 31O 1dx2y2 0.031594 -0.023455 0.053441 0.073035 -0.050906 0.031226 31O 1dxy -0.087443 0.014357 -0.220263 -0.304088 0.058775 -0.138704 31O 2dz2 -0.066749 0.025111 0.007174 -0.071160 -0.063873 -0.103959 31O 2dxz -0.096205 -0.131553 -0.216404 -0.272944 0.229343 -0.126384 31O 2dyz -0.118647 -0.119383 -0.303438 -0.462997 0.244885 -0.265231 31O 2dx2y2 -0.009822 0.057601 -0.125703 -0.140838 0.060566 -0.007568 31O 2dxy 0.119943 0.004707 0.286296 0.388599 -0.076323 0.186396 31O 1f0 -0.041614 -0.028728 -0.054133 -0.075263 0.028101 -0.048146 31O 1f+1 0.009685 -0.033585 -0.036463 -0.012945 0.063653 0.022372 31O 1f-1 0.001544 -0.017107 -0.037569 -0.028949 0.039132 0.012201 31O 1f+2 0.021473 0.048890 -0.054288 -0.025859 -0.028143 0.041628 31O 1f-2 0.054578 0.054359 0.122775 0.175442 -0.086781 0.078768 31O 1f+3 -0.013972 0.022920 -0.100542 -0.114758 0.016415 -0.014492 31O 1f-3 0.051651 0.027504 0.010540 0.055184 -0.007308 0.076799 32O 1s -0.014511 0.015201 0.003638 -0.000933 0.003017 0.002441 32O 2s -0.050989 0.053764 0.012771 -0.003157 0.010988 0.008550 32O 3s 0.788953 -0.836948 -0.192153 0.047178 -0.178448 -0.132537 32O 4s -1.843343 1.935442 0.412712 -0.111941 0.419915 0.307634 32O 5s -0.281507 0.438990 0.240002 0.010747 0.134037 0.061419 32O 1pz 0.051948 -0.055465 -0.017274 0.047982 -0.052695 0.104325 32O 1px -0.104802 0.109484 0.010447 0.009491 0.011787 0.058062 32O 1py 0.128010 -0.140735 -0.036594 0.002626 -0.025253 -0.028218 32O 2pz -0.283859 0.303995 0.099592 -0.254780 0.308400 -0.603725 32O 2px 0.552917 -0.588704 -0.066247 -0.053094 -0.051886 -0.325550 32O 2py -0.765136 0.832885 0.196133 -0.024656 0.168017 0.170279 32O 3pz -0.079257 0.063334 -0.003402 -0.042279 0.102391 -0.166326 32O 3px 0.119021 -0.078127 0.048416 -0.000458 -0.000955 -0.078961 32O 3py -0.138353 0.158508 -0.015282 -0.019192 0.079228 0.045352 32O 1dz2 0.352384 -0.370912 -0.085319 0.043535 -0.134434 0.054607 32O 1dxz 0.277227 -0.297282 -0.050050 -0.007942 0.017950 -0.169251 32O 1dyz 0.035587 -0.035909 -0.028561 0.123774 -0.081970 0.218640 32O 1dx2y2 -0.087222 0.086706 0.039268 0.006114 0.042616 -0.035061 32O 1dxy -0.173938 0.171041 0.043982 0.009771 0.041523 0.131394 32O 2dz2 -0.603235 0.641148 0.147250 -0.108344 0.243509 -0.148076 32O 2dxz -0.441661 0.472776 0.071216 0.053905 -0.022882 0.336901 32O 2dyz -0.092645 0.097144 0.057239 -0.208132 0.185522 -0.455250 32O 2dx2y2 0.117293 -0.116554 -0.036561 0.015017 -0.066115 0.074242 32O 2dxy 0.376997 -0.392494 -0.078067 -0.039460 -0.046968 -0.264127 32O 1f0 -0.326974 0.348736 0.072584 -0.019549 0.082502 0.037855 32O 1f+1 0.151267 -0.161453 -0.029301 -0.000345 -0.022440 -0.054148 32O 1f-1 -0.435840 0.468195 0.104256 -0.064310 0.147850 -0.063461 32O 1f+2 0.150361 -0.159551 -0.036985 0.034872 -0.057286 0.032028 32O 1f-2 -0.262293 0.282623 0.044064 0.045857 -0.017056 0.236374 32O 1f+3 0.078495 -0.082759 -0.012811 -0.010916 -0.004989 -0.065083 32O 1f-3 0.096562 -0.105852 -0.012308 -0.028800 0.026205 -0.106115 33O 1s 0.000395 0.000718 0.002503 0.000756 0.004239 -0.000236 33O 2s 0.001617 0.002208 0.008536 0.002498 0.013408 -0.001362 33O 3s -0.032370 -0.035015 -0.111421 -0.030159 -0.146995 0.013460 33O 4s 0.083919 0.119456 0.060607 -0.007271 -0.080635 0.101444 33O 5s 0.386709 0.063630 1.289911 0.385998 1.574789 -0.568415 33O 1pz 0.003497 0.008815 -0.067309 -0.016520 -0.090592 0.010992 33O 1px 0.003285 0.004189 0.050501 0.017783 0.078688 -0.033732 33O 1py 0.002516 -0.001449 -0.024645 -0.021456 -0.023926 -0.005777 33O 2pz 0.032142 -0.007202 0.305439 0.071220 0.354834 -0.024777 33O 2px -0.073188 -0.045877 -0.198838 -0.065129 -0.227562 0.121249 33O 2py 0.001753 0.018467 0.120125 0.097440 0.124522 0.027022 33O 3pz 0.064931 -0.075875 0.492283 0.127150 0.765753 0.141348 33O 3px -0.129851 -0.040659 -0.438466 -0.205803 -0.584903 0.122845 33O 3py 0.008398 -0.018754 0.117664 0.228778 0.183509 0.102076 33O 1dz2 -0.011851 0.098634 -0.155263 -0.020043 -0.238545 0.031110 33O 1dxz -0.003055 -0.055527 0.317128 0.069134 0.482688 -0.056145 33O 1dyz -0.070285 -0.001523 -0.129094 -0.113509 -0.263631 0.085323 33O 1dx2y2 0.032530 -0.021990 -0.102151 -0.076659 -0.177919 0.048055 33O 1dxy 0.025916 -0.005381 0.099763 0.131282 0.079900 0.006019 33O 2dz2 0.001210 -0.078966 0.236564 0.016323 0.321120 0.008447 33O 2dxz -0.024277 0.045091 -0.415616 -0.096905 -0.614902 0.077086 33O 2dyz 0.067638 0.031468 0.189100 0.148707 0.312638 -0.068438 33O 2dx2y2 -0.001482 0.014046 0.103077 0.085611 0.199558 -0.096769 33O 2dxy -0.026788 -0.021413 -0.153430 -0.177612 -0.135599 -0.024647 33O 1f0 -0.015437 0.015978 0.001875 -0.017147 -0.029860 0.051550 33O 1f+1 0.016577 0.006986 -0.146370 -0.002569 -0.183043 -0.030557 33O 1f-1 -0.009542 0.030039 0.042586 0.017595 0.028997 0.024508 33O 1f+2 0.019076 -0.023822 0.076045 0.030382 0.154925 -0.060566 33O 1f-2 -0.001378 -0.040809 -0.092598 -0.079340 -0.104791 -0.023332 33O 1f+3 0.012058 -0.017298 -0.001335 0.011852 0.035337 -0.053065 33O 1f-3 -0.010583 -0.021289 -0.045516 -0.060711 -0.036484 -0.007318 34O 1s -0.000275 0.000881 -0.003144 -0.004235 0.002301 -0.001442 34O 2s -0.001236 0.002863 -0.010446 -0.013287 0.007415 -0.005113 34O 3s 0.020646 -0.041065 0.139625 0.152613 -0.083131 0.054040 34O 4s -0.004852 0.092539 -0.192257 -0.044895 -0.026490 0.121194 34O 5s -0.449191 0.226578 -1.145801 -1.273204 0.895766 -1.023456 34O 1pz -0.003695 0.014319 0.011426 0.009677 -0.009477 -0.007879 34O 1px 0.013754 -0.011033 0.078184 0.100645 -0.069142 0.065541 34O 1py -0.002792 0.004907 -0.037299 -0.049891 0.009219 -0.013894 34O 2pz 0.018417 -0.061070 -0.067087 -0.072593 0.058289 0.023448 34O 2px -0.085987 0.073868 -0.357268 -0.361113 0.242314 -0.215803 34O 2py 0.022962 -0.035968 0.186779 0.239205 -0.051703 0.058760 34O 3pz 0.016019 -0.085011 -0.049470 -0.076697 0.127435 0.142757 34O 3px -0.139833 0.010323 -0.607473 -0.814120 0.427212 -0.293979 34O 3py 0.012522 0.045986 0.230372 0.429386 -0.001226 0.008314 34O 1dz2 -0.052094 0.013312 -0.169647 -0.272023 0.203620 -0.142415 34O 1dxz -0.002016 0.112318 0.065215 0.044558 -0.103262 -0.004943 34O 1dyz -0.013845 -0.009076 -0.014289 -0.087887 0.085818 -0.093067 34O 1dx2y2 -0.004362 0.035009 0.229287 0.304145 -0.186440 0.143869 34O 1dxy -0.089167 0.023505 -0.214318 -0.362677 0.103754 -0.200009 34O 2dz2 0.064428 -0.023321 0.230598 0.339186 -0.244009 0.176991 34O 2dxz 0.016034 -0.124508 -0.122745 -0.086145 0.144222 0.032147 34O 2dyz 0.011680 0.010092 0.026711 0.085268 -0.096017 0.089525 34O 2dx2y2 -0.023812 -0.028166 -0.279524 -0.370160 0.250436 -0.198477 34O 2dxy 0.093887 -0.063318 0.332842 0.494646 -0.132759 0.221024 34O 1f0 -0.017000 0.021886 0.039048 -0.000918 -0.024467 -0.042756 34O 1f+1 0.014762 0.002230 0.086694 0.120100 -0.091226 0.062634 34O 1f-1 0.001309 0.008265 -0.047592 -0.060005 0.020252 -0.012912 34O 1f+2 0.016481 -0.029148 -0.053268 -0.035949 0.046152 0.033556 34O 1f-2 -0.011729 0.001682 0.024674 0.011389 -0.023370 -0.016790 34O 1f+3 0.023466 0.032349 0.027877 0.071846 -0.089956 0.085055 34O 1f-3 -0.017052 0.052204 -0.147076 -0.190180 0.037962 -0.049430 35O 1s -0.001469 0.001645 -0.003802 -0.001530 -0.004083 -0.000176 35O 2s -0.004854 0.005372 -0.012512 -0.004758 -0.012871 0.000010 35O 3s 0.050400 -0.054388 0.161034 0.052519 0.141153 0.007679 35O 4s -0.009379 -0.048108 -0.187361 -0.016831 0.053453 -0.171290 35O 5s -0.339783 0.571596 -1.334655 -0.362007 -1.420610 0.592126 35O 1pz -0.010214 0.008785 0.030095 -0.001393 0.037509 0.010226 35O 1px 0.038271 -0.054401 0.084074 0.026870 0.097760 -0.031427 35O 1py 0.015996 -0.009782 0.047769 0.027439 0.056335 -0.009288 35O 2pz 0.044379 -0.026413 -0.159804 -0.006668 -0.196170 -0.050351 35O 2px -0.108339 0.176925 -0.357674 -0.081374 -0.316092 0.089759 35O 2py -0.046026 0.026383 -0.222529 -0.113450 -0.224731 0.017103 35O 3pz -0.000114 -0.081805 -0.184961 0.005991 -0.321739 -0.227270 35O 3px -0.066294 0.126181 -0.607419 -0.152790 -0.763686 0.019159 35O 3py -0.011200 -0.062413 -0.353354 -0.280547 -0.441165 -0.111880 35O 1dz2 -0.062858 0.019095 -0.158700 -0.039068 -0.185299 -0.004881 35O 1dxz 0.023234 -0.044948 0.178549 -0.008158 0.234991 -0.006351 35O 1dyz 0.046089 -0.107602 0.100324 0.017962 0.232582 -0.085965 35O 1dx2y2 0.020129 -0.097764 0.173469 0.008039 0.247904 -0.037387 35O 1dxy 0.104620 -0.080666 0.298514 0.210429 0.417239 -0.085793 35O 2dz2 0.072889 -0.048798 0.199496 0.059518 0.234462 -0.013384 35O 2dxz -0.006598 0.022568 -0.279856 0.004118 -0.338493 -0.040348 35O 2dyz -0.040348 0.090682 -0.157016 -0.026302 -0.278279 0.066058 35O 2dx2y2 -0.039251 0.150381 -0.199146 0.010105 -0.283852 0.072294 35O 2dxy -0.119121 0.088094 -0.404371 -0.268235 -0.521530 0.086731 35O 1f0 -0.011669 0.004810 0.088460 -0.007905 0.089850 0.037924 35O 1f+1 0.040278 -0.061326 0.045405 0.020522 0.079566 -0.047377 35O 1f-1 0.015025 -0.022842 0.041950 0.039717 0.074609 -0.019359 35O 1f+2 0.008256 -0.002763 -0.065886 0.007700 -0.071749 -0.024905 35O 1f-2 0.002989 -0.010564 -0.098992 -0.005609 -0.094983 -0.042780 35O 1f+3 0.013229 -0.072179 -0.013688 -0.055976 0.024881 -0.044188 35O 1f-3 0.056136 -0.053671 0.129747 0.082658 0.165717 -0.032674 726 727 728 729 730 731 7.06145 7.08041 7.10828 7.11201 7.12812 7.16095 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s -0.000002 -0.000013 0.000077 0.000003 0.000018 -0.001931 0Rh 2s 0.000082 0.000081 -0.000547 -0.000033 -0.000027 0.008710 0Rh 3s 0.000035 -0.000033 0.000150 0.000000 0.000093 -0.006712 0Rh 4s -0.000496 -0.000553 0.003693 0.000246 0.000262 -0.062711 0Rh 5s 0.001549 0.001596 -0.011162 -0.001099 -0.000592 0.179873 0Rh 6s -0.002537 -0.001903 0.015391 0.002657 -0.000416 -0.188703 0Rh 7s 0.007153 -0.000040 -0.047563 -0.025870 0.016984 -0.209365 0Rh 8s 0.002667 0.021347 -0.000782 0.135378 0.000182 -0.231976 0Rh 1pz 0.000414 0.000692 0.005168 -0.002850 0.000208 -0.007423 0Rh 1px 0.000439 0.000389 0.003369 -0.000790 -0.000457 0.018973 0Rh 1py -0.001266 -0.001311 -0.001380 -0.005376 0.000782 0.002909 0Rh 2pz -0.001810 -0.003097 -0.021479 0.011933 -0.000889 0.031750 0Rh 2px -0.001902 -0.001681 -0.014121 0.003410 0.001957 -0.081167 0Rh 2py 0.005444 0.005527 0.005648 0.022319 -0.003377 -0.012423 0Rh 3pz 0.007455 0.013724 0.067319 -0.038936 0.003238 -0.116552 0Rh 3px 0.007473 0.006402 0.046358 -0.013143 -0.007274 0.298336 0Rh 3py -0.020471 -0.018752 -0.016066 -0.069456 0.012902 0.045336 0Rh 4pz -0.014353 -0.025481 -0.082048 0.050441 -0.004988 0.183858 0Rh 4px -0.013001 -0.009765 -0.060506 0.022395 0.011725 -0.472811 0Rh 4py 0.033069 0.026060 0.015731 0.083737 -0.020798 -0.071511 0Rh 5pz 0.021157 0.015275 0.055402 -0.032154 0.003931 -0.155015 0Rh 5px 0.013310 0.003469 0.038996 -0.020691 -0.010265 0.408788 0Rh 5py -0.026963 -0.017885 -0.008773 -0.058856 0.013217 0.063545 0Rh 6pz -0.269006 0.090029 -0.329387 0.130231 0.020658 0.171662 0Rh 6px -0.100648 0.032681 -0.154845 0.059941 0.017834 -0.563160 0Rh 6py 0.120725 0.045599 0.111067 0.423813 0.059031 -0.081000 0Rh 1dz2 -0.000598 0.000783 -0.002505 0.000775 0.009117 0.003157 0Rh 1dxz -0.003275 0.001778 0.003966 -0.002377 0.000227 0.004145 0Rh 1dyz -0.009459 0.006852 0.000786 0.000324 0.024709 0.001286 0Rh 1dx2y2 -0.002664 0.001649 0.001722 0.001505 0.003985 -0.005803 0Rh 1dxy -0.002626 0.001506 -0.001207 -0.004296 0.009943 -0.001196 0Rh 2dz2 0.000824 0.001275 0.002101 -0.000848 -0.007575 -0.001754 0Rh 2dxz 0.001741 -0.001264 -0.003038 0.002104 0.000194 -0.002193 0Rh 2dyz 0.006335 -0.000034 -0.000348 -0.001257 -0.019852 -0.001017 0Rh 2dx2y2 0.001556 -0.000573 -0.001386 -0.001587 -0.003102 0.002924 0Rh 2dxy 0.002067 0.000783 0.001068 0.002827 -0.007824 0.000441 0Rh 3dz2 -0.000659 -0.011673 0.004488 -0.000323 -0.015840 -0.010364 0Rh 3dxz 0.010929 -0.004223 -0.008725 0.003714 -0.002503 -0.014253 0Rh 3dyz 0.024697 -0.042240 -0.003143 0.004713 -0.046738 -0.002567 0Rh 3dx2y2 0.008143 -0.007162 -0.003387 -0.000976 -0.008093 0.020688 0Rh 3dxy 0.005238 -0.013473 0.001883 0.011962 -0.019689 0.005123 0Rh 4dz2 0.004600 0.042776 -0.008496 -0.001804 0.016350 0.025614 0Rh 4dxz -0.026500 0.007374 0.020653 -0.006281 0.009106 0.036591 0Rh 4dyz -0.052350 0.133818 0.010629 -0.019745 0.060619 0.003724 0Rh 4dx2y2 -0.018887 0.020555 0.007232 -0.001467 0.012089 -0.053776 0Rh 4dxy -0.008736 0.045257 -0.003454 -0.032680 0.027700 -0.014226 0Rh 5dz2 -0.012491 -0.162720 0.027951 0.011721 0.053024 -0.022154 0Rh 5dxz 0.036260 0.009840 -0.081388 0.026123 -0.026554 -0.041225 0Rh 5dyz 0.059148 -0.416568 -0.055027 0.074859 0.092053 0.010341 0Rh 5dx2y2 0.024688 -0.057693 -0.028986 0.003892 0.007559 0.061197 0Rh 5dxy 0.004633 -0.144487 0.017563 0.130898 0.029019 0.016598 0Rh 1f0 0.001734 -0.002990 0.003211 0.010628 -0.004033 0.001413 0Rh 1f+1 0.003891 0.002416 -0.010043 0.005027 0.007875 -0.001655 0Rh 1f-1 0.000993 0.002197 -0.007231 0.018012 -0.006633 -0.002080 0Rh 1f+2 -0.003838 -0.005682 0.019089 -0.003788 -0.004999 -0.001929 0Rh 1f-2 -0.005454 0.006661 0.010046 0.012903 0.018013 -0.001399 0Rh 1f+3 0.003772 0.000344 -0.013597 -0.008089 -0.002417 -0.002643 0Rh 1f-3 0.000352 -0.002211 0.004796 0.013262 -0.009250 -0.002371 1Rh 1s -0.000006 0.000011 -0.000073 -0.000006 0.000016 -0.001935 1Rh 2s 0.000108 -0.000077 0.000534 0.000050 -0.000013 0.008734 1Rh 3s 0.000027 0.000024 -0.000133 -0.000011 0.000090 -0.006721 1Rh 4s -0.000675 0.000519 -0.003589 -0.000362 0.000164 -0.062881 1Rh 5s 0.002091 -0.001493 0.010812 0.001429 -0.000289 0.180386 1Rh 6s -0.003286 0.001770 -0.014745 -0.002994 -0.000871 -0.189414 1Rh 7s 0.008186 0.000643 0.042085 0.025321 0.017800 -0.207753 1Rh 8s 0.000244 -0.020083 0.002533 -0.135955 -0.002847 -0.232761 1Rh 1pz -0.000374 0.000731 0.005268 -0.002935 -0.000230 0.007405 1Rh 1px -0.000446 0.000407 0.003241 -0.000865 0.000481 -0.018952 1Rh 1py 0.001288 -0.001169 -0.001366 -0.005410 -0.001009 -0.002977 1Rh 2pz 0.001639 -0.003263 -0.021909 0.012299 0.000982 -0.031673 1Rh 2px 0.001931 -0.001759 -0.013575 0.003728 -0.002061 0.081077 1Rh 2py -0.005545 0.004916 0.005587 0.022461 0.004344 0.012719 1Rh 3pz -0.006791 0.014358 0.068916 -0.040308 -0.003589 0.116279 1Rh 3px -0.007564 0.006703 0.044368 -0.014317 0.007657 -0.297999 1Rh 3py 0.020977 -0.016462 -0.015808 -0.069964 -0.016423 -0.046451 1Rh 4pz 0.013253 -0.026533 -0.084595 0.052619 0.005549 -0.183463 1Rh 4px 0.013086 -0.010311 -0.057390 0.024247 -0.012337 0.472273 1Rh 4py -0.034125 0.022391 0.015241 0.084502 0.026201 0.073286 1Rh 5pz -0.020379 0.016208 0.057511 -0.033716 -0.004349 0.154772 1Rh 5px -0.013167 0.004141 0.036279 -0.022162 0.010807 -0.408341 1Rh 5py 0.027823 -0.015064 -0.008273 -0.059396 -0.017173 -0.064810 1Rh 6pz 0.269250 0.083794 -0.334090 0.133492 -0.019638 -0.171656 1Rh 6px 0.097676 0.030975 -0.150017 0.062457 -0.019503 0.562145 1Rh 6py -0.121470 0.037745 0.106848 0.421636 -0.054534 0.081640 1Rh 1dz2 -0.000476 -0.000683 0.002482 -0.000786 0.009130 0.003182 1Rh 1dxz -0.003250 -0.001732 -0.003975 0.002410 0.000239 0.004128 1Rh 1dyz -0.009518 -0.006698 -0.000783 -0.000359 0.024730 0.001303 1Rh 1dx2y2 -0.002599 -0.001518 -0.001697 -0.001525 0.003953 -0.005818 1Rh 1dxy -0.002671 -0.001551 0.001148 0.004302 0.009986 -0.001180 1Rh 2dz2 0.000754 -0.001337 -0.002079 0.000860 -0.007578 -0.001767 1Rh 2dxz 0.001724 0.001245 0.003054 -0.002128 0.000183 -0.002183 1Rh 2dyz 0.006364 -0.000076 0.000353 0.001279 -0.019856 -0.001021 1Rh 2dx2y2 0.001530 0.000493 0.001358 0.001594 -0.003074 0.002936 1Rh 2dxy 0.002091 -0.000754 -0.001037 -0.002827 -0.007854 0.000432 1Rh 3dz2 -0.001037 0.011391 -0.004458 0.000327 -0.015906 -0.010449 1Rh 3dxz 0.010866 0.004034 0.008698 -0.003792 -0.002521 -0.014199 1Rh 3dyz 0.024907 0.041876 0.003093 -0.004615 -0.046852 -0.002650 1Rh 3dx2y2 0.007875 0.006773 0.003375 0.001061 -0.008044 0.020716 1Rh 3dxy 0.005387 0.013598 -0.001680 -0.011999 -0.019805 0.005075 1Rh 4dz2 0.005483 -0.042138 0.008446 0.001857 0.016553 0.025833 1Rh 4dxz -0.026356 -0.006867 -0.020561 0.006420 0.009128 0.036454 1Rh 4dyz -0.052890 -0.133112 -0.010439 0.019549 0.060949 0.003976 1Rh 4dx2y2 -0.018169 -0.019651 -0.007226 0.001237 0.012020 -0.053820 1Rh 4dxy -0.009045 -0.045533 0.002962 0.032808 0.027993 -0.014111 1Rh 5dz2 -0.013523 0.161849 -0.027929 -0.011956 0.052429 -0.022531 1Rh 5dxz 0.035975 -0.010667 0.081344 -0.026109 -0.026553 -0.041000 1Rh 5dyz 0.060240 0.416051 0.054413 -0.074769 0.091454 0.009583 1Rh 5dx2y2 0.023380 0.056350 0.028772 -0.003485 0.007677 0.061025 1Rh 5dxy 0.004302 0.144828 -0.016805 -0.131232 0.028069 0.016446 1Rh 1f0 -0.001677 -0.002923 0.003257 0.010645 0.003917 -0.001485 1Rh 1f+1 -0.003861 0.002491 -0.010024 0.005049 -0.007911 0.001644 1Rh 1f-1 -0.000787 0.002351 -0.007140 0.017902 0.006434 0.001986 1Rh 1f+2 0.003845 -0.005719 0.018964 -0.003728 0.004978 0.001900 1Rh 1f-2 0.005590 0.006637 0.010085 0.012949 -0.018198 0.001268 1Rh 1f+3 -0.003810 0.000334 -0.013647 -0.008110 0.002488 0.002721 1Rh 1f-3 -0.000304 -0.002206 0.004786 0.013268 0.009180 0.002320 2C 1s 0.000484 0.000198 0.001478 -0.002078 -0.000359 -0.003531 2C 2s 0.000685 0.000160 0.000713 -0.001113 -0.000971 -0.002965 2C 3s -0.021390 -0.023518 0.111193 -0.157531 0.070281 -0.130483 2C 4s 0.002231 0.092820 -0.603305 0.849855 -0.060951 1.020200 2C 5s -0.166670 0.141514 -0.100152 0.148692 1.092805 0.102708 2C 1pz -0.003853 -0.004328 0.007949 -0.014742 0.005228 -0.003858 2C 1px -0.003438 -0.002813 0.001834 -0.006784 0.003531 -0.000681 2C 1py -0.002938 -0.003077 0.009222 -0.006499 0.003801 -0.001546 2C 2pz -0.028185 0.065851 -0.369297 0.540896 -0.025562 0.638856 2C 2px 0.022800 0.072751 -0.088862 0.147144 -0.028582 0.155749 2C 2py -0.009050 0.071114 -0.286644 0.351357 -0.043600 0.421248 2C 3pz -0.044419 0.018959 -0.016183 0.029434 0.299141 0.057280 2C 3px 0.021843 0.034004 0.041016 -0.036794 0.032115 -0.080938 2C 3py -0.020990 0.019463 -0.027124 0.022724 0.191787 0.060176 2C 1dz2 -0.000148 -0.008835 -0.019779 0.028942 -0.011631 0.026557 2C 1dxz -0.001682 0.027033 -0.012735 0.014268 -0.011317 0.017528 2C 1dyz -0.000842 0.002967 -0.024434 0.034870 -0.009437 0.036769 2C 1dx2y2 0.001410 -0.003873 0.013022 -0.019819 0.008495 -0.018623 2C 1dxy -0.000346 0.017862 -0.001691 0.000050 -0.000040 0.005946 2C 2dz2 -0.013409 -0.013335 -0.065602 0.128795 0.005550 0.146641 2C 2dxz 0.001944 0.065890 0.010113 0.005643 0.038829 0.027177 2C 2dyz -0.002722 0.025137 -0.159271 0.197312 -0.039562 0.232419 2C 2dx2y2 0.018639 -0.002546 0.028474 -0.006603 -0.057278 -0.064077 2C 2dxy 0.009514 0.049492 -0.018112 0.031001 -0.012809 0.026226 2C 1f0 -0.002575 -0.030908 -0.003708 0.022596 0.003083 0.018952 2C 1f+1 -0.009311 0.024638 -0.007612 0.015838 0.020035 0.038969 2C 1f-1 0.001294 -0.006561 -0.019993 0.028108 -0.005111 0.028398 2C 1f+2 0.005019 0.017897 0.025794 -0.027576 -0.006912 -0.041737 2C 1f-2 0.001867 0.037895 -0.008578 0.010126 -0.005897 0.015991 2C 1f+3 0.000630 0.021603 0.005201 -0.005698 0.003435 -0.003190 2C 1f-3 -0.006813 -0.008704 -0.013046 0.009361 0.016827 0.027810 3C 1s -0.000694 0.000156 0.001984 0.001312 0.000450 -0.003400 3C 2s -0.001004 0.000155 0.001027 0.000453 0.001048 -0.002769 3C 3s 0.019491 0.009586 0.160894 0.114875 -0.064124 -0.136415 3C 4s 0.009575 -0.096982 -0.853224 -0.593557 0.019894 1.013355 3C 5s 0.221565 0.079571 -0.092975 -0.093033 -1.089660 0.064620 3C 1pz 0.003716 -0.000123 0.003250 0.008778 -0.001924 -0.000839 3C 1px -0.003140 0.001808 0.007911 0.003786 -0.003261 -0.003608 3C 1py -0.005103 -0.000015 -0.016171 -0.009535 0.005487 0.005067 3C 2pz -0.015413 -0.017252 -0.288923 -0.252556 0.023447 0.342955 3C 2px 0.065932 -0.084487 -0.246166 -0.147419 0.018545 0.271985 3C 2py 0.000469 0.050702 0.545751 0.373406 0.002221 -0.630435 3C 3pz 0.036343 0.001857 -0.037983 -0.049664 -0.188519 0.099129 3C 3px 0.017835 -0.007891 0.017376 0.029985 -0.084724 -0.029634 3C 3py -0.041646 -0.018865 0.005402 0.003053 0.288927 -0.018840 3C 1dz2 0.001967 0.007940 0.001610 0.001463 -0.000746 -0.003037 3C 1dxz -0.001318 -0.015078 -0.017162 -0.010105 0.006052 0.016090 3C 1dyz -0.002551 -0.009273 0.027717 0.019839 -0.003361 -0.031058 3C 1dx2y2 -0.002500 -0.010758 0.033088 0.024698 -0.015242 -0.031136 3C 1dxy 0.002273 0.022974 0.023613 0.015153 -0.008595 -0.022086 3C 2dz2 0.000746 0.018946 0.053400 0.001299 -0.018663 -0.027026 3C 2dxz -0.000165 -0.042962 -0.017934 -0.020991 -0.042559 0.054025 3C 2dyz 0.001234 -0.004108 0.188446 0.160332 -0.033783 -0.215308 3C 2dx2y2 0.007354 -0.018094 0.093339 0.059519 0.033921 -0.125500 3C 2dxy -0.021186 0.065356 0.090927 0.042258 0.007055 -0.104972 3C 1f0 0.004451 0.005006 0.009511 0.002885 -0.008812 -0.000470 3C 1f+1 0.009157 0.002652 -0.006642 -0.011142 -0.012277 0.021639 3C 1f-1 0.000005 -0.013424 -0.006691 0.009242 0.004171 -0.000036 3C 1f+2 0.003140 -0.025952 0.024678 0.025155 -0.011021 -0.025577 3C 1f-2 -0.004465 0.020633 0.025860 0.018541 0.007440 -0.039247 3C 1f+3 0.006587 -0.034881 -0.021348 -0.007588 -0.016627 0.035108 3C 1f-3 -0.009722 -0.033923 0.018949 0.012494 0.017522 -0.033998 4C 1s 0.003842 -0.004235 0.019888 -0.028705 0.013090 -0.029448 4C 2s 0.006810 -0.012430 0.051594 -0.074450 0.040956 -0.070278 4C 3s 0.023076 0.121525 -0.367527 0.526669 -0.313006 0.441078 4C 4s -0.386587 -0.002338 -0.713075 1.062053 -0.636193 1.350906 4C 5s -0.071488 0.021529 -0.441054 0.657782 -0.511823 0.570534 4C 1pz -0.004969 0.061101 -0.078937 0.112341 -0.078322 0.102186 4C 1px -0.025701 -0.116520 -0.014005 0.023084 0.005720 0.012943 4C 1py -0.013115 -0.007037 -0.052363 0.079676 -0.045730 0.067759 4C 2pz -0.063861 0.257928 -0.811655 1.206094 -0.597539 1.193622 4C 2px 0.007812 -0.309058 -0.163044 0.192235 -0.033234 0.209582 4C 2py -0.030270 0.042667 -0.578202 0.759660 -0.367149 0.789698 4C 3pz -0.133206 0.115646 -0.143253 0.180903 0.934722 0.204942 4C 3px -0.084727 -0.124420 -0.042368 -0.042115 0.231751 0.063540 4C 3py -0.111919 0.035021 -0.045507 0.125672 0.656126 0.123357 4C 1dz2 0.022221 0.047820 0.033925 -0.057902 -0.008799 -0.067961 4C 1dxz 0.018222 -0.098892 0.071339 -0.101846 0.048303 -0.123068 4C 1dyz 0.006506 0.010922 -0.021818 0.035585 -0.050157 0.018706 4C 1dx2y2 -0.038389 0.010440 -0.118042 0.162736 -0.054310 0.183828 4C 1dxy -0.011648 -0.058569 -0.055996 0.083915 -0.030275 0.081762 4C 2dz2 0.060341 0.006402 0.123257 -0.087311 -0.227068 -0.323097 4C 2dxz 0.124269 0.011818 0.120450 -0.122273 -0.166184 -0.345354 4C 2dyz 0.031255 0.000348 0.057055 -0.124737 -0.176378 -0.301850 4C 2dx2y2 -0.139112 -0.015737 -0.068446 0.160826 0.278831 0.406272 4C 2dxy 0.004983 -0.012611 -0.000286 0.011721 0.067736 0.047886 4C 1f0 0.005196 0.091073 -0.020820 -0.002661 -0.020602 0.022054 4C 1f+1 0.007855 -0.074010 -0.036936 0.031781 -0.012867 0.018975 4C 1f-1 0.002735 0.047283 -0.063487 0.090268 -0.068420 0.066667 4C 1f+2 -0.013576 -0.070972 0.038263 -0.037841 0.042161 -0.041910 4C 1f-2 0.015573 -0.096348 -0.008763 0.063703 -0.018208 0.017502 4C 1f+3 0.009648 -0.082055 -0.027268 0.016715 -0.003179 0.005530 4C 1f-3 0.003316 -0.007315 0.015933 0.028975 -0.008620 0.008879 5C 1s -0.003952 0.003577 0.028943 0.018609 -0.011802 -0.029010 5C 2s -0.007152 0.007398 0.075637 0.049357 -0.037722 -0.069903 5C 3s -0.008221 -0.015715 -0.552480 -0.376045 0.290653 0.450614 5C 4s 0.338907 -0.259930 -0.986708 -0.573360 0.579796 1.300282 5C 5s 0.034138 -0.105522 -0.638845 -0.433556 0.487753 0.568527 5C 1pz 0.023132 -0.042268 -0.078746 -0.037078 0.042454 0.063192 5C 1px -0.040587 0.113616 -0.027232 -0.055035 0.022544 0.036135 5C 1py -0.021935 0.029877 0.118011 0.070026 -0.067265 -0.099614 5C 2pz 0.055304 -0.197218 -0.722121 -0.436166 0.308342 0.706204 5C 2px -0.093460 0.258327 -0.310790 -0.488713 0.186299 0.416339 5C 2py -0.054702 0.199134 1.206714 0.747329 -0.518800 -1.183426 5C 3pz 0.139844 -0.015900 -0.112672 0.006423 -0.554697 0.074312 5C 3px -0.057194 0.110637 -0.008754 -0.132117 -0.383624 0.058810 5C 3py -0.184603 -0.002530 0.117369 0.123825 0.942207 -0.171089 5C 1dz2 -0.012855 -0.015570 0.092943 0.073490 -0.040411 -0.103120 5C 1dxz -0.030521 0.063081 0.106579 0.055569 -0.026391 -0.112689 5C 1dyz -0.004220 0.046687 0.080418 0.037878 -0.060358 -0.062869 5C 1dx2y2 0.031452 0.025118 -0.141296 -0.099109 0.028849 0.165363 5C 1dxy 0.023748 -0.091726 -0.047707 -0.003405 -0.000803 0.047292 5C 2dz2 -0.071362 0.013519 0.038205 -0.040288 0.087622 -0.089490 5C 2dxz -0.051024 0.045446 0.110106 0.037031 0.211763 -0.282451 5C 2dyz 0.041394 -0.010118 -0.073492 -0.021972 -0.123020 0.173818 5C 2dx2y2 0.174223 -0.082535 -0.137438 -0.128032 -0.343452 0.469497 5C 2dxy -0.008559 -0.031040 -0.108049 -0.068262 -0.159495 0.264338 5C 1f0 -0.000789 -0.028778 0.050322 0.045151 -0.033307 -0.041496 5C 1f+1 -0.001998 0.025197 -0.021427 0.023493 0.004754 0.004732 5C 1f-1 0.014271 0.046382 0.005619 0.006138 -0.008103 -0.001187 5C 1f+2 0.032586 0.096064 0.069736 0.021899 -0.049115 -0.035492 5C 1f-2 -0.006680 -0.042911 0.058767 0.049441 -0.037404 -0.045689 5C 1f+3 0.021327 0.100577 -0.065846 -0.048554 0.030437 0.053776 5C 1f-3 0.033813 0.098227 0.015465 0.038117 -0.025626 -0.017928 6C 1s -0.004172 -0.003539 -0.028934 -0.018564 -0.012019 -0.028965 6C 2s -0.007776 -0.007350 -0.075595 -0.049228 -0.038202 -0.069754 6C 3s -0.001650 0.016624 0.552765 0.375299 0.292822 0.448886 6C 4s 0.336763 0.253633 0.983907 0.571112 0.590586 1.300959 6C 5s 0.036213 0.102330 0.637360 0.431612 0.490931 0.565615 6C 1pz -0.023705 -0.042255 -0.078593 -0.037045 -0.042894 -0.062923 6C 1px 0.039938 0.113697 -0.027332 -0.054454 -0.023007 -0.036340 6C 1py 0.022964 0.029771 0.117872 0.069891 0.068050 0.099364 6C 2pz -0.059297 -0.198808 -0.722159 -0.437204 -0.311306 -0.704242 6C 2px 0.090389 0.264031 -0.310016 -0.483464 -0.187897 -0.416264 6C 2py 0.061125 0.200113 1.206703 0.747183 0.524051 1.180620 6C 3pz -0.139958 -0.015915 -0.113910 0.002105 0.555007 -0.075385 6C 3px 0.056375 0.114398 -0.008309 -0.131425 0.382537 -0.060320 6C 3py 0.183978 -0.004536 0.119031 0.129702 -0.940840 0.172395 6C 1dz2 -0.013394 0.015767 -0.092831 -0.073219 -0.041333 -0.103033 6C 1dxz -0.031453 -0.062796 -0.106625 -0.055565 -0.027586 -0.112677 6C 1dyz -0.004645 -0.046824 -0.080308 -0.037788 -0.060612 -0.062583 6C 1dx2y2 0.032405 -0.025734 0.141287 0.098742 0.030552 0.165424 6C 1dxy 0.023824 0.091604 0.047588 0.003418 -0.000227 0.047077 6C 2dz2 -0.069762 -0.012974 -0.038528 0.040072 0.086644 -0.089817 6C 2dxz -0.051366 -0.042848 -0.111301 -0.037203 0.209765 -0.283453 6C 2dyz 0.041954 0.010117 0.075035 0.022674 -0.122607 0.173828 6C 2dx2y2 0.173598 0.080050 0.138917 0.129104 -0.340397 0.469989 6C 2dxy -0.008352 0.029676 0.109458 0.067740 -0.157430 0.264880 6C 1f0 0.000945 -0.028111 0.050393 0.045503 0.033479 0.041376 6C 1f+1 0.001951 0.024481 -0.021690 0.023448 -0.004809 -0.004766 6C 1f-1 -0.013976 0.045987 0.005492 0.005806 0.007980 0.001069 6C 1f+2 -0.031918 0.095388 0.069425 0.020874 0.049018 0.035104 6C 1f-2 0.007363 -0.042450 0.058885 0.049603 0.037558 0.045565 6C 1f+3 -0.022217 0.099541 -0.066171 -0.049540 -0.030764 -0.053750 6C 1f-3 -0.032806 0.097341 0.015277 0.037082 0.025540 0.017513 7C 1s 0.004067 0.004152 -0.019945 0.028573 0.013249 -0.029445 7C 2s 0.007489 0.012254 -0.051729 0.074115 0.041298 -0.070292 7C 3s 0.015031 -0.121280 0.368538 -0.524997 -0.314496 0.441936 7C 4s -0.379734 0.008273 0.715591 -1.053610 -0.644618 1.347907 7C 5s -0.071000 -0.019778 0.441692 -0.655340 -0.514741 0.572554 7C 1pz 0.006385 0.061009 -0.079169 0.111651 0.079011 -0.102199 7C 1px 0.025302 -0.117594 -0.014013 0.022859 -0.005974 -0.012580 7C 1py 0.013875 -0.007413 -0.052676 0.079359 0.046142 -0.067811 7C 2pz 0.070596 0.258770 -0.809931 1.199139 0.599940 -1.192314 7C 2px -0.007408 -0.317412 -0.164698 0.193780 0.030284 -0.207086 7C 2py 0.034196 0.040572 -0.581205 0.761277 0.370499 -0.793250 7C 3pz 0.132485 0.115179 -0.138782 0.183758 -0.929678 -0.202521 7C 3px 0.082297 -0.131081 -0.044084 -0.039882 -0.232111 -0.063003 7C 3py 0.111360 0.033206 -0.044140 0.129298 -0.656245 -0.123508 7C 1dz2 0.022445 -0.048253 -0.034087 0.057784 -0.008003 -0.067987 7C 1dxz 0.018991 0.098655 -0.071705 0.101426 0.049371 -0.123179 7C 1dyz 0.006150 -0.011148 0.022000 -0.035559 -0.050122 0.018927 7C 1dx2y2 -0.039451 -0.009863 0.118327 -0.161838 -0.055457 0.183615 7C 1dxy -0.011768 0.059273 0.055871 -0.083365 -0.030582 0.081471 7C 2dz2 0.059777 -0.006593 -0.122621 0.085333 -0.225223 -0.320639 7C 2dxz 0.122688 -0.015244 -0.122433 0.121990 -0.164137 -0.344226 7C 2dyz 0.032163 -0.000692 -0.058700 0.124872 -0.175469 -0.302776 7C 2dx2y2 -0.137837 0.017486 0.069927 -0.160989 0.276683 0.406832 7C 2dxy 0.006255 0.011809 -0.001371 -0.010393 0.067169 0.046984 7C 1f0 -0.004587 0.089317 -0.021445 -0.002571 0.019856 -0.021693 7C 1f+1 -0.007082 -0.072843 -0.035975 0.030482 0.012911 -0.018574 7C 1f-1 -0.001593 0.047159 -0.063730 0.090187 0.068317 -0.066853 7C 1f+2 0.012388 -0.070000 0.039508 -0.038811 -0.042341 0.042580 7C 1f-2 -0.015313 -0.094946 -0.007643 0.062678 0.018471 -0.017382 7C 1f+3 -0.010107 -0.081175 -0.026148 0.015835 0.003606 -0.005342 7C 1f-3 -0.002503 -0.006794 0.015820 0.028886 0.008918 -0.009246 8C 1s -0.000716 -0.000143 -0.001994 -0.001309 0.000430 -0.003400 8C 2s -0.001020 -0.000140 -0.001037 -0.000450 0.001028 -0.002774 8C 3s 0.018099 -0.009933 -0.161010 -0.115003 -0.064233 -0.135848 8C 4s 0.016412 0.096603 0.855505 0.594480 0.022836 1.011290 8C 5s 0.221843 -0.080061 0.095539 0.099676 -1.089051 0.067657 8C 1pz -0.003648 -0.000073 0.003240 0.008806 0.001892 0.000841 8C 1px 0.003108 0.001953 0.007988 0.003969 0.003299 0.003598 8C 1py 0.004984 -0.000124 -0.016142 -0.009528 -0.005394 -0.004978 8C 2pz 0.012847 -0.017120 -0.289264 -0.252309 -0.023868 -0.342316 8C 2px -0.066958 -0.085494 -0.247606 -0.149393 -0.019983 -0.272126 8C 2py 0.003375 0.050375 0.547332 0.373326 0.000264 0.629025 8C 3pz -0.036155 0.002674 -0.038099 -0.050244 0.187238 -0.099065 8C 3px -0.017445 -0.008340 0.017816 0.029743 0.084741 0.031120 8C 3py 0.041973 -0.019115 0.006299 0.005087 -0.289253 0.020657 8C 1dz2 0.001934 -0.007868 -0.001606 -0.001431 -0.000725 -0.003044 8C 1dxz -0.001132 0.014951 0.017178 0.009981 0.006111 0.016035 8C 1dyz -0.002768 0.009247 -0.027847 -0.019945 -0.003576 -0.031011 8C 1dx2y2 -0.002760 0.010642 -0.033104 -0.024696 -0.015336 -0.031056 8C 1dxy 0.002021 -0.022886 -0.023603 -0.015022 -0.008649 -0.021999 8C 2dz2 0.000235 -0.019091 -0.053963 -0.001557 -0.018791 -0.027170 8C 2dxz 0.000174 0.042626 0.017610 0.020569 -0.042921 0.053508 8C 2dyz -0.000367 0.004217 -0.189200 -0.160503 -0.035400 -0.215115 8C 2dx2y2 0.006877 0.018307 -0.093764 -0.059464 0.033681 -0.125810 8C 2dxy -0.021292 -0.065723 -0.090807 -0.042458 0.007039 -0.104224 8C 1f0 -0.004446 0.005242 0.009394 0.002828 0.008636 0.000351 8C 1f+1 -0.009230 0.002778 -0.006601 -0.011151 0.012140 -0.021572 8C 1f-1 0.000013 -0.013458 -0.006625 0.009322 -0.003991 0.000110 8C 1f+2 -0.002876 -0.025908 0.024630 0.025161 0.011122 0.025460 8C 1f-2 0.004747 0.020436 0.026096 0.018596 -0.007117 0.039338 8C 1f+3 -0.006773 -0.034529 -0.021398 -0.007513 0.016488 -0.035038 8C 1f-3 0.009786 -0.034046 0.019252 0.012684 -0.016976 0.034172 9C 1s 0.000505 -0.000205 -0.001479 0.002065 -0.000340 -0.003523 9C 2s 0.000701 -0.000164 -0.000721 0.001094 -0.000948 -0.002954 9C 3s -0.020056 0.023726 -0.110846 0.157531 0.070189 -0.130894 9C 4s -0.003950 -0.092526 0.602827 -0.848982 -0.062700 1.021257 9C 5s -0.168097 -0.140573 0.097425 -0.152392 1.089202 0.099116 9C 1pz 0.003711 -0.004344 0.007848 -0.014751 -0.005126 0.003869 9C 1px 0.003374 -0.003027 0.001674 -0.006703 -0.003637 0.000680 9C 1py 0.002903 -0.003177 0.009243 -0.006686 -0.003775 0.001642 9C 2pz 0.032368 0.064585 -0.369462 0.539353 0.026996 -0.637547 9C 2px -0.021646 0.074742 -0.087622 0.146050 0.030369 -0.155440 9C 2py 0.012140 0.071019 -0.288211 0.352623 0.043259 -0.424405 9C 3pz 0.044511 0.018368 -0.016302 0.031546 -0.298187 -0.058352 9C 3px -0.021149 0.035187 0.042108 -0.037151 -0.031484 0.081758 9C 3py 0.020833 0.019446 -0.025365 0.021510 -0.191567 -0.056942 9C 1dz2 -0.000430 0.008790 0.019568 -0.028585 -0.011500 0.026433 9C 1dxz -0.001965 -0.026809 0.012885 -0.014190 -0.011110 0.017506 9C 1dyz -0.001156 -0.002959 0.024566 -0.034924 -0.009700 0.036880 9C 1dx2y2 0.001586 0.003878 -0.013172 0.019896 0.008737 -0.018763 9C 1dxy -0.000398 -0.017663 0.001867 -0.000221 -0.000100 0.005964 9C 2dz2 -0.014247 0.013979 0.065888 -0.128724 0.004987 0.146653 9C 2dxz 0.001485 -0.066128 -0.011195 -0.004447 0.039584 0.026302 9C 2dyz -0.004320 -0.025186 0.159589 -0.197263 -0.040097 0.232855 9C 2dx2y2 0.018578 0.001903 -0.028945 0.006859 -0.057854 -0.064081 9C 2dxy 0.009239 -0.050085 0.017962 -0.031019 -0.013715 0.025909 9C 1f0 0.002617 -0.030630 -0.003420 0.022281 -0.002901 -0.018786 9C 1f+1 0.009432 0.024122 -0.007805 0.015914 -0.019607 -0.038880 9C 1f-1 -0.001069 -0.006709 -0.019817 0.028061 0.005104 -0.028360 9C 1f+2 -0.005050 0.017839 0.025920 -0.027850 0.006442 0.041965 9C 1f-2 -0.001517 0.037996 -0.008449 0.009974 0.005568 -0.016015 9C 1f+3 -0.000560 0.021969 0.005126 -0.005623 -0.003399 0.003146 9C 1f-3 0.006877 -0.008725 -0.012983 0.009119 -0.016824 -0.027720 10H 1s 0.001419 0.017253 0.017775 -0.025939 0.014729 -0.020746 10H 2s -0.023964 0.010939 0.027512 -0.043162 0.036531 -0.027997 10H 3s -0.002790 -0.012727 -0.013492 0.010891 -0.004369 0.074513 10H 1pz -0.007806 0.003161 0.003114 -0.005353 0.010321 -0.000035 10H 1px -0.000220 -0.012859 -0.008475 0.013331 0.002879 0.018398 10H 1py -0.004936 0.000617 0.001765 -0.005597 0.010185 0.001662 11H 1s -0.001221 0.001428 -0.005912 0.011375 0.000710 0.011061 11H 2s 0.000397 -0.007127 -0.006453 -0.003600 -0.005015 0.004632 11H 3s 0.017118 -0.013574 0.053063 -0.068439 -0.027664 -0.064832 11H 1pz -0.000224 -0.001988 0.014639 -0.018411 0.013835 -0.015805 11H 1px -0.001328 -0.001207 -0.004897 0.007594 -0.002271 0.007705 11H 1py 0.002430 0.000018 0.012355 -0.012514 0.002919 -0.018335 12H 1s 0.000926 -0.003728 0.001614 0.002121 0.004704 0.000302 12H 2s 0.002121 0.003358 -0.016521 0.013178 -0.037017 0.002666 12H 3s 0.018893 -0.021198 0.035736 -0.050816 -0.013790 -0.018870 12H 1pz -0.000163 0.001739 0.007299 -0.015832 0.008933 -0.012524 12H 1px 0.000539 0.002316 -0.008829 0.010907 -0.011994 0.005334 12H 1py -0.000244 -0.001311 0.000529 -0.004377 -0.001210 -0.006150 13H 1s -0.004937 -0.014732 0.021569 0.018316 -0.013130 -0.021587 13H 2s -0.030834 -0.002627 0.041746 0.015556 -0.018330 -0.037427 13H 3s 0.008652 -0.026297 -0.011520 -0.005900 -0.002738 0.067535 13H 1pz -0.006510 -0.004858 0.012918 0.005182 -0.006494 -0.011987 13H 1px 0.008776 0.005086 -0.004558 -0.003241 -0.009299 0.014441 13H 1py 0.003319 -0.001005 -0.003276 0.001266 0.006691 -0.000016 14H 1s 0.005662 0.007509 0.002835 0.005649 -0.006757 -0.002407 14H 2s 0.007777 0.002299 -0.020080 -0.020346 0.032670 0.004524 14H 3s -0.023169 -0.002388 0.041023 0.032157 0.014743 -0.003661 14H 1pz 0.002067 0.003410 0.010001 0.004924 -0.005768 -0.008535 14H 1px 0.003707 0.003006 -0.010471 -0.008540 0.012054 0.003004 14H 1py -0.002596 0.004624 -0.008454 -0.004204 0.006011 0.006269 15H 1s 0.006356 -0.001327 -0.013608 -0.005882 -0.000779 0.013622 15H 2s -0.005987 -0.001178 0.008136 -0.007282 -0.009726 0.000250 15H 3s -0.028264 0.004393 0.066367 0.054185 0.038472 -0.071063 15H 1pz -0.003052 0.001261 0.016494 0.015018 -0.001580 -0.022353 15H 1px 0.001249 0.001775 0.000679 0.002330 -0.000785 -0.002766 15H 1py 0.000165 -0.000719 -0.018184 -0.013874 0.016624 0.015416 16H 1s 0.596691 -0.560061 -0.025385 0.012746 0.055740 -0.069291 16H 2s 0.864686 -0.753274 -0.025940 -0.031858 0.172444 -0.068325 16H 3s -0.143515 0.125962 0.038587 -0.051979 0.006628 0.033707 16H 1pz 0.548919 -0.497752 -0.009045 -0.015253 0.083258 -0.059023 16H 1px -0.019392 0.019775 -0.006032 0.022468 -0.018757 0.007330 16H 1py 0.232636 -0.212719 -0.017224 -0.013964 0.033897 -0.030803 17H 1s -0.626533 0.536854 0.007504 -0.156873 -0.061272 -0.067340 17H 2s -0.909194 0.728083 0.036992 -0.269613 -0.163495 -0.065945 17H 3s 0.144406 -0.130507 -0.041945 0.008472 -0.005389 0.037081 17H 1pz 0.378947 -0.317627 -0.003844 0.094714 0.044805 0.035913 17H 1px 0.373466 -0.304961 0.006517 0.119380 0.064904 0.040559 17H 1py -0.337079 0.269626 0.007790 -0.102452 -0.049403 -0.038218 18H 1s -0.632338 -0.529007 -0.009434 0.162501 -0.060166 -0.067267 18H 2s -0.915829 -0.718658 -0.045581 0.279799 -0.158271 -0.065089 18H 3s 0.146120 0.128274 0.042418 -0.010721 -0.004966 0.037049 18H 1pz -0.391458 -0.320922 -0.005891 0.101394 -0.044607 -0.037131 18H 1px -0.377006 -0.301231 0.003515 0.123412 -0.063364 -0.040540 18H 1py 0.328128 0.255793 0.009638 -0.102079 0.046878 0.037077 19H 1s 0.604292 0.554454 0.021120 -0.019615 0.055063 -0.069432 19H 2s 0.876552 0.742929 0.013689 0.020729 0.173570 -0.068218 19H 3s -0.144927 -0.124743 -0.037128 0.054515 0.007033 0.033795 19H 1pz -0.550728 -0.486703 -0.003043 -0.008243 -0.082580 0.057986 19H 1px 0.024236 0.023506 -0.006788 0.022136 0.019297 -0.008004 19H 1py -0.248081 -0.221778 -0.014821 -0.011280 -0.035346 0.032433 20H 1s 0.006477 0.001284 0.013521 0.005831 -0.000718 0.013487 20H 2s -0.006157 0.001069 -0.007364 0.007508 -0.008400 0.000459 20H 3s -0.028442 -0.004359 -0.066713 -0.054319 0.037338 -0.070735 20H 1pz 0.003120 0.001163 0.016562 0.015003 0.001925 0.022237 20H 1px -0.001210 0.001718 0.000417 0.002146 0.000599 0.002548 20H 1py -0.000400 -0.000764 -0.018005 -0.013781 -0.016339 -0.015314 21H 1s 0.005604 -0.007195 -0.002537 -0.005307 -0.006656 -0.002062 21H 2s 0.007157 -0.001942 0.020267 0.020789 0.033139 0.004651 21H 3s -0.023416 0.002212 -0.041751 -0.033033 0.014985 -0.004877 21H 1pz -0.001864 0.003308 0.009989 0.004800 0.005705 0.008504 21H 1px -0.003646 0.002779 -0.010537 -0.008718 -0.012096 -0.003140 21H 1py 0.002468 0.004545 -0.008759 -0.004320 -0.006016 -0.006585 22H 1s -0.005072 0.014824 -0.021806 -0.018471 -0.013413 -0.021705 22H 2s -0.031087 0.002087 -0.042555 -0.016833 -0.019681 -0.037891 22H 3s 0.008571 0.025887 0.011876 0.006300 -0.001967 0.068261 22H 1pz 0.006545 -0.004691 0.012950 0.005350 0.006692 0.011897 22H 1px -0.008823 0.005196 -0.004921 -0.003569 0.008946 -0.014799 22H 1py -0.003312 -0.001109 -0.003403 0.000983 -0.006842 -0.000029 23H 1s 0.000833 0.003228 -0.001289 -0.002478 0.004366 0.000785 23H 2s 0.001992 -0.003237 0.016385 -0.012938 -0.036299 0.003159 23H 3s 0.019363 0.020974 -0.036595 0.052095 -0.014210 -0.020638 23H 1pz -0.000034 0.001627 0.007660 -0.016281 -0.009051 0.013149 23H 1px -0.000361 0.002317 -0.008797 0.010717 0.011746 -0.005434 23H 1py 0.000276 -0.001173 0.000518 -0.004467 0.000970 0.005996 24H 1s -0.001267 -0.001414 0.005783 -0.010879 0.000714 0.010683 24H 2s 0.000630 0.006978 0.007230 0.002487 -0.006687 0.004884 24H 3s 0.017227 0.013598 -0.052835 0.067806 -0.026354 -0.063198 24H 1pz -0.000002 -0.001940 0.014454 -0.018080 -0.013437 0.015731 24H 1px 0.001307 -0.001119 -0.005232 0.007920 0.002877 -0.007873 24H 1py -0.002436 0.000173 0.012269 -0.012196 -0.003025 0.017895 25H 1s 0.001571 -0.017305 -0.017755 0.025989 0.014997 -0.020943 25H 2s -0.023981 -0.009373 -0.027134 0.043400 0.038093 -0.028425 25H 3s -0.001955 0.012678 0.013830 -0.011285 -0.004587 0.075499 25H 1pz 0.007878 0.002892 0.003030 -0.005500 -0.010666 0.000209 25H 1px 0.000192 -0.012637 -0.008397 0.013424 -0.002481 -0.018552 25H 1py 0.004901 0.000194 0.001398 -0.005147 -0.010107 -0.002028 26O 1s 0.000815 0.000442 0.005391 -0.007994 0.003656 -0.007136 26O 2s 0.002904 0.002039 0.016610 -0.024592 0.010357 -0.022437 26O 3s -0.041847 -0.024263 -0.187449 0.276618 -0.096000 0.268102 26O 4s 0.101301 -0.060055 0.248183 -0.373498 -0.013212 -0.448484 26O 5s 0.178298 0.571134 0.714836 -0.949803 0.045727 -1.215856 26O 1pz 0.017966 -0.009927 -0.003782 0.015639 -0.037874 -0.028983 26O 1px 0.012874 0.023331 0.105046 -0.147683 0.082819 -0.123756 26O 1py 0.018524 -0.000655 0.028440 -0.050637 0.008313 -0.063494 26O 2pz -0.069822 0.051834 0.001843 -0.059631 0.154562 0.129614 26O 2px -0.074849 -0.097891 -0.356167 0.487481 -0.185938 0.483918 26O 2py -0.080350 0.005074 -0.087413 0.173557 0.024872 0.257265 26O 3pz -0.047956 0.100111 -0.022917 0.069836 -0.049780 0.075217 26O 3px -0.067029 -0.097937 -0.398416 0.572018 -0.217595 0.685061 26O 3py -0.095444 0.015896 -0.213560 0.218880 -0.113336 0.298394 26O 1dz2 0.008631 -0.008968 0.136625 -0.241505 0.176848 -0.171700 26O 1dxz -0.071971 -0.071977 0.008934 -0.048383 0.182316 0.108558 26O 1dyz -0.030086 -0.101535 0.004515 0.006349 0.105777 0.072746 26O 1dx2y2 0.009738 -0.011143 -0.241006 0.308056 -0.286864 0.204317 26O 1dxy -0.073035 -0.085954 -0.168114 0.256539 -0.086570 0.265692 26O 2dz2 -0.024756 -0.015467 -0.185411 0.310684 -0.201071 0.248880 26O 2dxz 0.089987 0.026414 0.004440 0.057646 -0.223017 -0.162231 26O 2dyz 0.037133 0.083751 0.007286 -0.010963 -0.116838 -0.099273 26O 2dx2y2 -0.002409 0.060178 0.314596 -0.399302 0.338174 -0.289072 26O 2dxy 0.102498 0.091436 0.219930 -0.348371 0.098967 -0.382291 26O 1f0 0.023097 -0.034919 0.015781 0.002329 -0.042193 -0.053252 26O 1f+1 0.006833 0.056484 0.067285 -0.109547 0.065496 -0.081403 26O 1f-1 0.012981 0.025294 0.019691 -0.041474 -0.007870 -0.040204 26O 1f+2 -0.021262 0.012406 0.000259 -0.023729 0.062825 0.033497 26O 1f-2 -0.021494 0.053716 -0.030692 0.027797 0.011516 0.069034 26O 1f+3 -0.018914 0.053222 0.067566 -0.071380 0.081039 -0.029561 26O 1f-3 0.028759 0.026443 0.108875 -0.164443 0.078626 -0.151735 27O 1s -0.000124 -0.000837 0.007815 0.005747 -0.003704 -0.007123 27O 2s -0.001074 -0.002731 0.023854 0.017686 -0.010533 -0.022382 27O 3s 0.026421 0.019721 -0.265763 -0.199350 0.099217 0.266744 27O 4s -0.135173 0.119758 0.366836 0.247798 0.002354 -0.448747 27O 5s -0.109299 -0.454139 0.807814 0.849215 -0.051915 -1.173087 27O 1pz -0.006617 0.017872 -0.023167 -0.027108 0.033852 0.002300 27O 1px -0.005599 -0.029391 0.149893 0.112460 -0.080594 -0.137993 27O 1py 0.007957 -0.015031 -0.000950 -0.006308 -0.026559 0.038180 27O 2pz 0.011836 -0.070367 0.072286 0.100137 -0.121169 -0.002641 27O 2px 0.075580 0.067830 -0.482591 -0.376308 0.173948 0.533443 27O 2py -0.030475 0.081275 -0.008344 0.031120 0.127509 -0.156936 27O 3pz -0.020824 -0.075107 0.036926 -0.016476 0.000348 -0.037267 27O 3px -0.007569 0.037672 -0.560271 -0.524679 0.235174 0.730917 27O 3py 0.046317 0.093770 0.171412 0.089448 -0.087174 -0.154516 27O 1dz2 0.021555 -0.075521 0.193971 0.189221 -0.115793 -0.197405 27O 1dxz 0.029173 0.006357 0.118454 0.105829 -0.191781 -0.021884 27O 1dyz 0.010987 -0.063027 -0.007962 -0.003580 0.041540 -0.007061 27O 1dx2y2 -0.051560 0.072549 -0.397131 -0.277470 0.310668 0.299144 27O 1dxy -0.009131 -0.076452 0.032086 0.063915 0.120939 -0.164627 27O 2dz2 -0.010546 0.082332 -0.261778 -0.242483 0.138636 0.281085 27O 2dxz -0.019117 0.036302 -0.138288 -0.137803 0.231956 0.030049 27O 2dyz -0.014012 0.064500 0.003219 0.001001 -0.037816 0.005054 27O 2dx2y2 0.026171 -0.107526 0.506972 0.363227 -0.362196 -0.426035 27O 2dxy 0.005996 0.024068 -0.052999 -0.101196 -0.149163 0.233897 27O 1f0 -0.004927 0.045637 -0.020860 -0.034709 0.035516 0.004458 27O 1f+1 -0.000747 -0.025582 0.126921 0.099009 -0.068112 -0.121100 27O 1f-1 -0.000790 -0.016676 -0.022226 -0.019500 -0.007458 0.033308 27O 1f+2 0.003962 -0.042629 0.046626 0.049442 -0.085734 -0.015596 27O 1f-2 0.006851 0.024756 0.032897 0.011757 -0.024622 -0.015606 27O 1f+3 -0.000888 -0.089673 0.136119 0.095313 -0.097283 -0.104687 27O 1f-3 0.005306 -0.047785 -0.060943 -0.060563 -0.026831 0.108846 28O 1s 0.000531 -0.002933 0.005588 -0.008117 0.004481 -0.007351 28O 2s 0.002275 -0.009310 0.017278 -0.024982 0.013178 -0.023287 28O 3s -0.041913 0.096155 -0.198175 0.287447 -0.133702 0.282403 28O 4s 0.152685 0.004009 0.306220 -0.445456 0.073116 -0.506407 28O 5s 0.234051 -0.735699 0.632581 -0.973607 0.161043 -1.262722 28O 1pz 0.017414 -0.022661 0.058152 -0.076554 0.023795 -0.100445 28O 1px -0.001691 0.073627 -0.093933 0.136181 -0.101573 0.107908 28O 1py 0.006644 0.011556 -0.008509 -0.000893 -0.022341 -0.020637 28O 2pz -0.104040 0.043417 -0.204778 0.265333 -0.004533 0.408662 28O 2px 0.059222 -0.238672 0.317678 -0.471886 0.289325 -0.430308 28O 2py -0.030243 -0.058064 0.039632 0.014361 0.099584 0.086508 28O 3pz -0.063717 0.060225 -0.310929 0.557206 -0.252232 0.506523 28O 3px 0.066862 -0.207153 0.343810 -0.504595 0.231418 -0.602370 28O 3py 0.025122 -0.055230 -0.110360 0.109052 -0.068622 0.082937 28O 1dz2 -0.032690 0.049604 0.013123 -0.072367 0.176186 0.074733 28O 1dxz 0.003170 -0.192727 0.245183 -0.369250 0.246537 -0.343795 28O 1dyz -0.018299 0.079100 0.030261 -0.006989 0.112453 0.074701 28O 1dx2y2 0.045654 0.131445 -0.216636 0.288463 -0.306641 0.182348 28O 1dxy 0.011085 0.002192 -0.009461 -0.008950 -0.058157 -0.062510 28O 2dz2 0.043600 -0.004829 -0.003577 0.064862 -0.216703 -0.105629 28O 2dxz -0.037976 0.231180 -0.333976 0.493116 -0.292706 0.496949 28O 2dyz 0.021253 -0.058923 -0.029028 -0.016674 -0.126708 -0.100481 28O 2dx2y2 -0.029716 -0.200934 0.271722 -0.372512 0.377962 -0.263257 28O 2dxy -0.016890 -0.032307 0.016328 0.030769 0.081717 0.092529 28O 1f0 -0.006164 -0.078549 0.039724 -0.066519 0.079899 -0.046127 28O 1f+1 0.029254 0.013333 0.066057 -0.079785 -0.020319 -0.116000 28O 1f-1 -0.003441 -0.027167 -0.025225 0.051808 -0.026754 0.037883 28O 1f+2 -0.006397 0.107718 -0.104828 0.145791 -0.107846 0.132431 28O 1f-2 0.010634 0.031632 0.009871 -0.050548 -0.032064 -0.056175 28O 1f+3 0.009734 0.084867 -0.067381 0.087607 -0.109236 0.059172 28O 1f-3 0.008916 0.017586 -0.009674 -0.010792 -0.029128 -0.027887 29O 1s 0.000467 0.000337 0.000204 0.001919 0.000157 0.002029 29O 2s 0.001568 0.001190 0.000701 0.007096 0.000440 0.007194 29O 3s -0.023986 -0.018364 -0.010315 -0.120004 -0.005200 -0.108797 29O 4s 0.056539 0.044648 0.023531 0.293556 0.013413 0.234665 29O 5s 0.004751 -0.005699 -0.003090 0.073388 -0.021623 0.171916 29O 1pz -0.241461 0.218172 0.003638 -0.025258 -0.025066 0.004884 29O 1px -0.092046 0.077740 0.000620 -0.025103 -0.009795 -0.007623 29O 1py 0.025396 -0.016009 0.003809 0.028995 0.002547 0.019897 29O 2pz 1.325746 -1.173739 -0.019590 0.132738 0.170933 -0.023517 29O 2px 0.506367 -0.419214 -0.003118 0.148010 0.064668 0.031567 29O 2py -0.143879 0.088028 -0.014692 -0.162942 -0.016453 -0.107391 29O 3pz 0.262663 -0.198854 -0.008665 0.011017 0.088993 0.007493 29O 3px 0.105312 -0.066610 -0.004673 0.059509 0.036225 -0.013518 29O 3py -0.033304 0.020005 0.015986 -0.037297 -0.007398 0.019152 29O 1dz2 0.279455 -0.263172 -0.016906 -0.012799 0.020001 -0.049862 29O 1dxz -0.272757 0.215065 0.006448 -0.072463 -0.021751 -0.049122 29O 1dyz 0.489040 -0.452439 -0.023018 0.072554 0.050455 -0.010556 29O 1dx2y2 -0.073517 0.056765 0.003273 0.001819 -0.008404 0.056107 29O 1dxy 0.226956 -0.197695 -0.004585 0.057583 0.020185 0.039798 29O 2dz2 -0.566750 0.526797 0.028906 0.017792 -0.061380 0.077262 29O 2dxz 0.551458 -0.451205 -0.015127 0.145819 0.059458 0.064841 29O 2dyz -0.969652 0.869997 0.028335 -0.132328 -0.123297 0.014289 29O 2dx2y2 0.150890 -0.127556 -0.007458 0.000455 0.018198 -0.050963 29O 2dxy -0.445992 0.379140 0.007131 -0.119020 -0.052359 -0.062810 29O 1f0 0.025077 -0.031917 -0.007137 -0.044986 0.006068 -0.035336 29O 1f+1 0.045912 -0.032414 0.002584 0.023088 0.013253 0.010158 29O 1f-1 0.267862 -0.250461 -0.012489 -0.023473 0.028469 -0.047776 29O 1f+2 -0.117305 0.111848 -0.000636 0.001922 -0.015637 0.008471 29O 1f-2 -0.396374 0.326702 0.008547 -0.092290 -0.043049 -0.033698 29O 1f+3 0.121122 -0.101620 -0.001448 0.029394 0.015592 0.003527 29O 1f-3 0.189496 -0.157420 -0.004685 0.037802 0.020228 0.006177 30O 1s -0.001036 0.002488 0.008184 0.004851 -0.003804 -0.007195 30O 2s -0.003498 0.008373 0.025349 0.014686 -0.011009 -0.022628 30O 3s 0.046786 -0.097282 -0.288801 -0.162216 0.106891 0.271296 30O 4s -0.078209 0.057208 0.401326 0.247042 -0.025720 -0.463453 30O 5s -0.285807 0.764797 1.082912 0.348626 -0.061801 -1.205105 30O 1pz -0.019992 0.022639 0.074627 0.031951 -0.023260 -0.073965 30O 1px 0.001950 -0.056097 -0.138104 -0.081250 0.093176 0.093474 30O 1py 0.030044 -0.017656 -0.060454 -0.035665 0.003650 0.081667 30O 2pz 0.090712 -0.075551 -0.260218 -0.082294 0.021013 0.295491 30O 2px -0.017811 0.216822 0.465011 0.260044 -0.263226 -0.358467 30O 2py -0.129664 0.059152 0.202878 0.111375 0.057984 -0.331084 30O 3pz 0.105086 -0.067580 -0.341912 -0.222261 0.150766 0.393366 30O 3px -0.067071 0.224608 0.475069 0.188910 -0.155682 -0.532593 30O 3py -0.171409 0.030326 0.429363 0.192187 -0.166518 -0.423435 30O 1dz2 0.016888 0.049979 0.096169 0.093538 -0.108046 -0.053373 30O 1dxz -0.034848 0.094382 0.304229 0.176457 -0.215599 -0.233228 30O 1dyz -0.110014 0.163389 0.161698 0.025342 0.040592 -0.207424 30O 1dx2y2 -0.069357 0.028628 -0.224403 -0.149534 0.309976 0.050090 30O 1dxy 0.072606 -0.089351 -0.286353 -0.167811 0.156447 0.253307 30O 2dz2 -0.022582 -0.083421 -0.119366 -0.120104 0.135655 0.070142 30O 2dxz 0.054453 -0.141697 -0.404440 -0.210002 0.253772 0.331637 30O 2dyz 0.145599 -0.168330 -0.232515 -0.049565 -0.045184 0.297441 30O 2dx2y2 0.096412 0.040032 0.267487 0.175420 -0.378968 -0.059557 30O 2dxy -0.104810 0.126593 0.373689 0.217940 -0.173351 -0.364440 30O 1f0 -0.013963 0.040231 0.122248 0.074784 -0.084815 -0.099044 30O 1f+1 -0.019047 -0.015955 0.004669 -0.021370 0.028575 -0.019131 30O 1f-1 -0.015751 -0.019759 0.027378 -0.000539 0.004646 -0.027495 30O 1f+2 -0.028983 -0.081879 -0.046836 -0.019159 0.070212 0.004533 30O 1f-2 0.051823 -0.051583 -0.156619 -0.073054 0.040316 0.149844 30O 1f+3 -0.051943 -0.025582 -0.004319 -0.000879 0.082417 -0.050512 30O 1f-3 -0.000764 -0.087504 -0.098309 -0.055760 0.078373 0.071777 31O 1s -0.001087 -0.002495 -0.008173 -0.004848 -0.003855 -0.007179 31O 2s -0.003655 -0.008385 -0.025318 -0.014675 -0.011179 -0.022580 31O 3s 0.048281 0.097299 0.288476 0.162168 0.109081 0.270859 31O 4s -0.079082 -0.056069 -0.401191 -0.246862 -0.030574 -0.463839 31O 5s -0.288997 -0.765980 -1.083267 -0.353220 -0.066229 -1.201871 31O 1pz 0.020481 0.022577 0.074682 0.031933 0.023827 0.073874 31O 1px -0.003081 -0.056181 -0.137820 -0.080958 -0.093678 -0.093038 31O 1py -0.030469 -0.017383 -0.060490 -0.035761 -0.004401 -0.081598 31O 2pz -0.091393 -0.075357 -0.260501 -0.082692 -0.023537 -0.295488 31O 2px 0.020790 0.216515 0.464039 0.259124 0.265566 0.357285 31O 2py 0.130375 0.058234 0.203206 0.112341 -0.054800 0.331145 31O 3pz -0.105699 -0.069727 -0.343759 -0.224019 -0.153328 -0.393107 31O 3px 0.068410 0.226032 0.475419 0.190960 0.157583 0.531459 31O 3py 0.172531 0.031241 0.430335 0.194807 0.168542 0.423244 31O 1dz2 0.014921 -0.050347 -0.095911 -0.093420 -0.107916 -0.052684 31O 1dxz -0.037341 -0.094857 -0.304161 -0.176318 -0.216888 -0.232348 31O 1dyz -0.110322 -0.163417 -0.161915 -0.026127 0.038734 -0.207240 31O 1dx2y2 -0.067949 -0.027185 0.223507 0.148775 0.309388 0.049009 31O 1dxy 0.074965 0.088970 0.285865 0.167851 0.157680 0.252445 31O 2dz2 -0.020299 0.083454 0.118838 0.119793 0.135562 0.069246 31O 2dxz 0.057028 0.142222 0.404309 0.209860 0.255867 0.330636 31O 2dyz 0.145963 0.168738 0.232901 0.050929 -0.042545 0.297287 31O 2dx2y2 0.094609 -0.040973 -0.266160 -0.173855 -0.378283 -0.058179 31O 2dxy -0.107481 -0.126059 -0.373135 -0.218291 -0.175487 -0.363470 31O 1f0 0.014965 0.040286 0.122050 0.074707 0.085379 0.098677 31O 1f+1 0.018483 -0.015694 0.005039 -0.021228 -0.028107 0.019412 31O 1f-1 0.015781 -0.019432 0.027623 -0.000286 -0.004336 0.027605 31O 1f+2 0.028680 -0.081754 -0.046446 -0.018502 -0.070051 -0.004163 31O 1f-2 -0.052618 -0.051912 -0.156676 -0.073393 -0.041646 -0.149620 31O 1f+3 0.051925 -0.025700 -0.003880 -0.000116 -0.081578 0.050858 31O 1f-3 -0.000193 -0.087105 -0.097871 -0.055336 -0.078644 -0.071377 32O 1s 0.000447 -0.000380 -0.000129 -0.001899 0.000161 0.002034 32O 2s 0.001498 -0.001306 -0.000412 -0.007029 0.000430 0.007207 32O 3s -0.022715 0.019734 0.005156 0.119019 -0.004585 -0.108942 32O 4s 0.053960 -0.047181 -0.011897 -0.291302 0.011836 0.235185 32O 5s 0.000690 0.006773 0.014663 -0.073331 -0.026061 0.170532 32O 1pz 0.245110 0.216169 0.002761 -0.028506 0.024838 -0.004468 32O 1px 0.091840 0.075699 0.001236 -0.025985 0.009440 0.007768 32O 1py -0.019065 -0.010168 0.003105 0.028188 -0.001743 -0.019924 32O 2pz -1.345941 -1.162806 -0.014632 0.151237 -0.169622 0.021034 32O 2px -0.505105 -0.408395 -0.006888 0.153184 -0.062081 -0.032361 32O 2py 0.109016 0.056714 -0.009396 -0.158721 0.010554 0.107540 32O 3pz -0.265981 -0.195980 -0.008003 0.015188 -0.088622 -0.006400 32O 3px -0.105514 -0.065536 -0.004353 0.060853 -0.035027 0.013642 32O 3py 0.026564 0.016404 0.020304 -0.036964 0.003129 -0.019526 32O 1dz2 0.261484 0.242796 0.013083 0.012890 0.016625 -0.050015 32O 1dxz -0.286546 -0.221493 -0.008408 0.076405 -0.022608 -0.049224 32O 1dyz 0.502539 0.454336 0.022436 -0.077276 0.050705 -0.011711 32O 1dx2y2 -0.087712 -0.066611 -0.002709 0.000916 -0.010546 0.055963 32O 1dxy 0.218638 0.186912 0.004859 -0.057708 0.018310 0.039230 32O 2dz2 -0.531161 -0.485200 -0.022014 -0.017487 -0.054900 0.077374 32O 2dxz 0.578854 0.463791 0.018273 -0.154539 0.061010 0.065237 32O 2dyz -0.996172 -0.873690 -0.026688 0.141838 -0.123780 0.016608 32O 2dx2y2 0.179103 0.147589 0.006525 -0.006185 0.022163 -0.050608 32O 2dxy -0.429587 -0.357512 -0.008687 0.119231 -0.048319 -0.061810 32O 1f0 -0.011768 -0.018810 -0.004167 -0.042772 -0.005002 0.032763 32O 1f+1 -0.057200 -0.040316 0.001545 0.027605 -0.014031 -0.012017 32O 1f-1 -0.266055 -0.243656 -0.009316 -0.022937 -0.027983 0.049341 32O 1f+2 0.118012 0.110914 -0.001733 0.003467 0.015615 -0.010710 32O 1f-2 0.406038 0.327676 0.009994 -0.095978 0.042535 0.032909 32O 1f+3 -0.106023 -0.086903 -0.001698 0.026967 -0.013533 -0.002436 32O 1f-3 -0.194925 -0.158433 -0.004725 0.039689 -0.020493 -0.005863 33O 1s 0.000588 0.002938 -0.005599 0.008073 0.004516 -0.007357 33O 2s 0.002442 0.009314 -0.017318 0.024849 0.013295 -0.023302 33O 3s -0.043259 -0.096088 0.198646 -0.285867 -0.135223 0.282513 33O 4s 0.151292 -0.005606 -0.307801 0.443168 0.075854 -0.506230 33O 5s 0.240068 0.737663 -0.631193 0.967818 0.169620 -1.263030 33O 1pz -0.018119 -0.022463 0.058256 -0.075954 -0.024493 0.100280 33O 1px 0.003214 0.073458 -0.094246 0.135862 0.102046 -0.108196 33O 1py -0.006570 0.011403 -0.008490 -0.000822 0.022054 0.020709 33O 2pz 0.104817 0.043004 -0.204656 0.262639 0.007806 -0.407611 33O 2px -0.062716 -0.237429 0.318933 -0.470734 -0.291512 0.431169 33O 2py 0.029783 -0.057199 0.039923 0.013804 -0.098436 -0.086772 33O 3pz 0.063968 0.065351 -0.310232 0.552839 0.255747 -0.506481 33O 3px -0.067565 -0.209923 0.343659 -0.501139 -0.234444 0.603289 33O 3py -0.024739 -0.053823 -0.111107 0.108238 0.069320 -0.083916 33O 1dz2 -0.032751 -0.049188 -0.013402 0.073617 0.174850 0.073466 33O 1dxz 0.007455 0.193428 -0.245547 0.367029 0.248304 -0.344002 33O 1dyz -0.018097 -0.080326 -0.030598 0.007433 0.111277 0.074912 33O 1dx2y2 0.041919 -0.131934 0.217017 -0.287718 -0.307126 0.183255 33O 1dxy 0.011235 -0.002009 0.008665 0.009249 -0.057327 -0.063042 33O 2dz2 0.043262 0.005302 0.004593 -0.067069 -0.214807 -0.103828 33O 2dxz -0.042369 -0.231997 0.334278 -0.489863 -0.295540 0.497014 33O 2dyz 0.021091 0.060734 0.029672 0.015772 -0.125174 -0.100802 33O 2dx2y2 -0.025606 0.200902 -0.272640 0.371762 0.378818 -0.264412 33O 2dxy -0.016942 0.031553 -0.015761 -0.030777 0.080422 0.093265 33O 1f0 0.005118 -0.078006 0.040493 -0.067034 -0.079965 0.046770 33O 1f+1 -0.029701 0.012794 0.065503 -0.078269 0.019157 0.115360 33O 1f-1 0.003889 -0.026789 -0.025097 0.051326 0.027032 -0.037965 33O 1f+2 0.007820 0.107621 -0.105180 0.145094 0.108445 -0.132541 33O 1f-2 -0.010831 0.030777 0.009644 -0.050112 0.031115 0.056496 33O 1f+3 -0.008583 0.084621 -0.067894 0.087648 0.109322 -0.059462 33O 1f-3 -0.008748 0.017302 -0.009483 -0.010805 0.028598 0.028157 34O 1s -0.000173 0.000855 -0.007808 -0.005715 -0.003761 -0.007114 34O 2s -0.001221 0.002796 -0.023834 -0.017594 -0.010715 -0.022357 34O 3s 0.027722 -0.020793 0.265504 0.198257 0.101425 0.266527 34O 4s -0.134613 -0.116792 -0.366540 -0.246281 -0.001528 -0.448581 34O 5s -0.115349 0.461784 -0.807435 -0.846817 -0.058245 -1.173676 34O 1pz 0.006474 0.017602 -0.023061 -0.027196 -0.033881 -0.002206 34O 1px 0.006966 -0.029461 0.149766 0.112085 0.081561 0.137758 34O 1py -0.008012 -0.014603 -0.001120 -0.006207 0.026147 -0.038314 34O 2pz -0.011478 -0.069238 0.071909 0.100591 0.121231 0.002264 34O 2px -0.078677 0.069527 -0.482046 -0.374926 -0.177907 -0.533104 34O 2py 0.030416 0.078990 -0.007800 0.030412 -0.125911 0.157578 34O 3pz 0.021426 -0.073271 0.037496 -0.015483 -0.001015 0.037816 34O 3px 0.005837 0.043879 -0.559793 -0.521223 -0.238604 -0.730232 34O 3py -0.045925 0.092128 0.171516 0.086907 0.088157 0.154027 34O 1dz2 0.019744 0.076485 -0.193753 -0.188051 -0.117237 -0.197087 34O 1dxz 0.028843 -0.007260 -0.117844 -0.105933 -0.191111 -0.021148 34O 1dyz 0.010709 0.063354 0.008119 0.003738 0.040891 -0.007387 34O 1dx2y2 -0.047410 -0.071705 0.396593 0.276124 0.311965 0.298090 34O 1dxy -0.009744 0.077925 -0.032887 -0.063117 0.118490 -0.165408 34O 2dz2 -0.008481 -0.083829 0.261445 0.240938 0.140718 0.280790 34O 2dxz -0.018719 -0.034731 0.137693 0.138373 0.231337 0.029292 34O 2dyz -0.013665 -0.064898 -0.003407 -0.001280 -0.037162 0.005366 34O 2dx2y2 0.021712 0.107154 -0.506268 -0.361631 -0.364447 -0.424939 34O 2dxy 0.006756 -0.026845 0.053794 0.099511 -0.146082 0.234801 34O 1f0 0.004852 0.045106 -0.020860 -0.034978 -0.035540 -0.004453 34O 1f+1 0.001968 -0.025928 0.126799 0.098484 0.069019 0.120977 34O 1f-1 0.000430 -0.016249 -0.022206 -0.019229 0.007011 -0.033357 34O 1f+2 -0.003614 -0.041737 0.046601 0.049763 0.085571 0.015414 34O 1f-2 -0.006506 0.024490 0.032705 0.011425 0.024601 0.015396 34O 1f+3 0.001906 -0.089189 0.135978 0.095278 0.098002 0.104515 34O 1f-3 -0.005895 -0.046321 -0.061110 -0.059625 0.025606 -0.108990 35O 1s 0.000867 -0.000481 -0.005407 0.007963 0.003690 -0.007129 35O 2s 0.003052 -0.002163 -0.016652 0.024490 0.010465 -0.022411 35O 3s -0.043073 0.025868 0.187901 -0.275465 -0.097313 0.267682 35O 4s 0.101188 0.057598 -0.248512 0.371354 -0.010589 -0.447201 35O 5s 0.177962 -0.580965 -0.715834 0.949448 0.048333 -1.213808 35O 1pz -0.017750 -0.009417 -0.003433 0.015572 0.037687 0.028880 35O 1px -0.014008 0.023831 0.105011 -0.146929 -0.083272 0.123614 35O 1py -0.018981 -0.000175 0.028730 -0.050500 -0.008608 0.063562 35O 2pz 0.068742 0.049194 0.000132 -0.058899 -0.153857 -0.129150 35O 2px 0.076677 -0.100326 -0.355833 0.485000 0.187906 -0.482796 35O 2py 0.081218 0.002815 -0.088722 0.173437 -0.023851 -0.257408 35O 3pz 0.047769 0.097018 -0.025246 0.069089 0.050278 -0.074855 35O 3px 0.067262 -0.104145 -0.401493 0.571621 0.219074 -0.684056 35O 3py 0.095142 0.011429 -0.216324 0.219303 0.113404 -0.298518 35O 1dz2 0.011679 0.008618 -0.136873 0.240137 0.176939 -0.171813 35O 1dxz -0.070328 0.073747 -0.008237 0.048657 0.180915 0.107697 35O 1dyz -0.029641 0.102902 -0.003710 -0.006669 0.104838 0.072340 35O 1dx2y2 0.007615 0.012055 0.240808 -0.306430 -0.287169 0.203931 35O 1dxy -0.075125 0.088502 0.169654 -0.256045 -0.087481 0.265860 35O 2dz2 -0.027729 0.016179 0.185626 -0.308992 -0.201491 0.248859 35O 2dxz 0.088138 -0.029808 -0.006165 -0.057340 -0.221445 -0.161182 35O 2dyz 0.036685 -0.085882 -0.008667 0.011595 -0.115826 -0.098837 35O 2dx2y2 -0.000393 -0.061248 -0.313859 0.396874 0.338943 -0.288243 35O 2dxy 0.104768 -0.095143 -0.222157 0.347939 0.100248 -0.382464 35O 1f0 -0.022779 -0.033485 0.016671 0.001962 0.041720 0.053093 35O 1f+1 -0.007401 0.056287 0.067013 -0.108858 -0.065978 0.081369 35O 1f-1 -0.013109 0.025658 0.019929 -0.041578 0.007563 0.040259 35O 1f+2 0.020813 0.011315 -0.000186 -0.023621 -0.062514 -0.033098 35O 1f-2 0.021843 0.052248 -0.031781 0.028151 -0.011182 -0.069024 35O 1f+3 0.018822 0.052848 0.066586 -0.070372 -0.081148 0.029085 35O 1f-3 -0.030024 0.027574 0.109448 -0.163931 -0.079162 0.151729 732 733 734 735 736 737 7.16739 7.16972 7.18645 7.23041 7.23163 7.23235 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s 0.000134 -0.000137 -0.001184 0.000042 -0.000447 0.000040 0Rh 2s -0.001145 0.000154 0.015177 -0.001868 -0.005502 0.000301 0Rh 3s 0.000149 -0.000745 0.001640 -0.000832 -0.005946 0.000424 0Rh 4s 0.007614 -0.001698 -0.096996 0.011384 0.030368 -0.001529 0Rh 5s -0.023580 0.004025 0.300231 -0.036648 -0.105048 0.005026 0Rh 6s 0.035203 0.000577 -0.460902 0.063796 0.218070 -0.009638 0Rh 7s -0.079702 0.003063 0.803307 -0.139796 -0.570873 -0.005453 0Rh 8s 0.050092 -0.032175 0.167208 -0.053924 -0.367434 0.036755 0Rh 1pz 0.014644 -0.028736 0.001651 0.021248 0.000998 0.005116 0Rh 1px -0.000387 -0.011882 0.002660 0.007576 -0.001947 -0.001412 0Rh 1py 0.030241 0.013527 -0.000111 -0.005991 -0.000021 0.023020 0Rh 2pz -0.062823 0.123230 -0.007154 -0.091890 -0.004303 -0.022145 0Rh 2px 0.001652 0.050968 -0.011431 -0.032762 0.008533 0.006137 0Rh 2py -0.129703 -0.058019 0.000495 0.025911 0.000022 -0.099541 0Rh 3pz 0.232691 -0.455655 0.027984 0.355095 0.016393 0.085966 0Rh 3px -0.005832 -0.188761 0.042463 0.126594 -0.035404 -0.024231 0Rh 3py 0.480030 0.214727 -0.002291 -0.100200 0.001323 0.384466 0Rh 4pz -0.361850 0.707221 -0.047704 -0.589086 -0.027371 -0.143395 0Rh 4px 0.007511 0.293874 -0.064224 -0.210263 0.065813 0.040680 0Rh 4py -0.746386 -0.333904 0.005105 0.166369 -0.005787 -0.637324 0Rh 5pz 0.247631 -0.485219 0.040065 0.439820 0.021770 0.106726 0Rh 5px 0.000323 -0.202810 0.030279 0.160042 -0.054506 -0.026511 0Rh 5py 0.514374 0.230287 -0.005192 -0.124933 0.009061 0.476235 0Rh 6pz -0.115455 0.239366 -0.061448 0.503238 0.029035 0.152670 0Rh 6px -0.040425 0.079877 0.309864 0.106938 -0.287664 -0.076138 0Rh 6py -0.254351 -0.131672 -0.073134 -0.112950 0.031985 0.529717 0Rh 1dz2 0.000150 -0.000527 0.004080 -0.005283 -0.007193 -0.002429 0Rh 1dxz -0.000893 -0.001220 0.006358 0.003304 -0.008782 0.001978 0Rh 1dyz 0.002165 -0.000031 0.001375 -0.002116 -0.005077 -0.005752 0Rh 1dx2y2 0.001361 0.001008 -0.008361 0.003628 0.011848 -0.002635 0Rh 1dxy 0.002427 0.000946 -0.003812 -0.001517 0.004704 0.002770 0Rh 2dz2 0.000035 -0.000144 -0.004229 0.004215 0.006256 0.002397 0Rh 2dxz -0.000092 0.001841 -0.005960 -0.001246 0.007278 -0.001197 0Rh 2dyz -0.001446 0.000597 -0.001319 0.003943 0.004164 0.005924 0Rh 2dx2y2 -0.000574 -0.000223 0.008393 -0.002251 -0.010256 0.001951 0Rh 2dxy -0.002829 -0.001075 0.003526 0.001530 -0.003667 -0.000098 0Rh 3dz2 -0.001059 0.004014 -0.002555 0.010291 0.011044 0.002375 0Rh 3dxz 0.006007 -0.002223 -0.007412 -0.013938 0.015537 -0.005872 0Rh 3dyz -0.005644 -0.002947 -0.001446 -0.007960 0.009236 0.004136 0Rh 3dx2y2 -0.005336 -0.005008 0.006677 -0.010462 -0.018497 0.005898 0Rh 3dxy -0.000026 -0.000139 0.004728 0.001244 -0.009604 -0.016662 0Rh 4dz2 0.002525 -0.012090 -0.011370 -0.012479 -0.003741 0.002730 0Rh 4dxz -0.018251 0.013189 -0.004268 0.037516 -0.013323 0.012074 0Rh 4dyz 0.010164 0.010912 -0.001511 0.042724 -0.008821 0.013550 0Rh 4dx2y2 0.013532 0.013440 0.017931 0.021773 0.007738 -0.008538 0Rh 4dxy -0.009815 -0.003308 0.001121 0.003220 0.012617 0.050360 0Rh 5dz2 0.000293 0.019248 0.102324 -0.057571 -0.119632 -0.053006 0Rh 5dxz 0.037548 -0.040451 0.116640 -0.067670 -0.116458 -0.000752 0Rh 5dyz 0.004336 -0.032151 0.028416 -0.196569 -0.061049 -0.156727 0Rh 5dx2y2 -0.020749 -0.020626 -0.192885 -0.011305 0.192575 -0.025618 0Rh 5dxy 0.041558 0.012098 -0.061372 -0.044420 0.042274 -0.122794 0Rh 1f0 0.022472 0.020677 -0.008452 -0.018727 0.001847 0.028745 0Rh 1f+1 0.011910 -0.012078 0.006477 0.012216 0.000271 0.008411 0Rh 1f-1 0.051908 -0.020249 0.003910 0.029674 0.002132 0.049535 0Rh 1f+2 -0.010469 0.048565 0.002384 -0.052849 0.001184 0.003306 0Rh 1f-2 0.033856 0.020659 0.001457 -0.014363 0.002257 0.038969 0Rh 1f+3 -0.010180 -0.032094 0.012599 0.029845 -0.001289 -0.017290 0Rh 1f-3 0.016304 0.009862 0.005497 -0.008490 0.001432 0.017649 1Rh 1s -0.000135 0.000129 -0.001184 0.000131 0.000429 -0.000034 1Rh 2s 0.001147 -0.000088 0.015160 -0.000800 0.005774 -0.000543 1Rh 3s -0.000156 0.000735 0.001628 0.000336 0.005999 -0.000527 1Rh 4s -0.007633 0.001260 -0.096894 0.005509 -0.032083 0.003095 1Rh 5s 0.023621 -0.002684 0.299895 -0.016330 0.110361 -0.011029 1Rh 6s -0.035163 -0.002524 -0.460291 0.021563 -0.226363 0.024046 1Rh 7s 0.078280 0.001181 0.802233 -0.029648 0.582119 -0.093552 1Rh 8s -0.050081 0.030644 0.167099 0.019499 0.372715 -0.023571 1Rh 1pz 0.014604 -0.028772 -0.001573 -0.020690 0.004350 -0.005302 1Rh 1px -0.000439 -0.011886 -0.002652 -0.007821 -0.000220 0.001653 1Rh 1py 0.030248 0.013488 0.000088 0.005601 -0.004448 -0.022459 1Rh 2pz -0.062648 0.123384 0.006818 0.089482 -0.018794 0.022952 1Rh 2px 0.001873 0.050985 0.011395 0.033840 0.001057 -0.007193 1Rh 2py -0.129736 -0.057849 -0.000398 -0.024239 0.019169 0.097133 1Rh 3pz 0.232038 -0.456243 -0.026723 -0.345886 0.072360 -0.089179 1Rh 3px -0.006657 -0.188820 -0.042305 -0.131193 -0.006369 0.028631 1Rh 3py 0.480142 0.214066 0.001926 0.093971 -0.072686 -0.375487 1Rh 4pz -0.360827 0.708190 0.045702 0.573893 -0.120133 0.149080 1Rh 4px 0.008859 0.293953 0.063926 0.219180 0.017309 -0.048950 1Rh 4py -0.746551 -0.332796 -0.004535 -0.156663 0.117036 0.623254 1Rh 5pz 0.246983 -0.486039 -0.038593 -0.428287 0.091069 -0.111669 1Rh 5px -0.000918 -0.202812 -0.030076 -0.167810 -0.018034 0.033454 1Rh 5py 0.514556 0.229431 0.004868 0.118678 -0.082910 -0.466701 1Rh 6pz -0.115369 0.240923 0.060652 -0.491918 0.102331 -0.160338 1Rh 6px -0.037836 0.078927 -0.307675 -0.156143 -0.248915 0.117289 1Rh 6py -0.256642 -0.131224 0.070875 0.106135 -0.067776 -0.527448 1Rh 1dz2 -0.000118 0.000573 0.004035 -0.003524 0.007697 -0.002407 1Rh 1dxz 0.000909 0.001252 0.006344 0.004896 0.008200 0.000620 1Rh 1dyz -0.002018 0.000083 0.001348 -0.000376 0.004654 -0.003612 1Rh 1dx2y2 -0.001335 -0.001014 -0.008312 0.001436 -0.012567 -0.000300 1Rh 1dxy -0.002353 -0.000935 -0.003823 -0.002012 -0.003826 0.004603 1Rh 2dz2 -0.000073 0.000096 -0.004196 0.002692 -0.006589 0.002356 1Rh 2dxz 0.000087 -0.001870 -0.005945 -0.002584 -0.007014 -0.000025 1Rh 2dyz 0.001316 -0.000658 -0.001298 0.002442 -0.004081 0.004013 1Rh 2dx2y2 0.000549 0.000234 0.008355 -0.000370 0.010664 -0.000064 1Rh 2dxy 0.002770 0.001062 0.003532 0.001907 0.003208 -0.001646 1Rh 3dz2 0.001065 -0.004045 -0.002453 0.007559 -0.012387 0.002454 1Rh 3dxz -0.006080 0.002175 -0.007405 -0.016647 -0.013325 -0.003735 1Rh 3dyz 0.005424 0.002956 -0.001390 -0.010720 -0.007033 0.001101 1Rh 3dx2y2 0.005308 0.004985 0.006573 -0.006955 0.020778 0.002211 1Rh 3dxy -0.000116 0.000145 0.004766 0.002301 0.006605 -0.019758 1Rh 4dz2 -0.002710 0.011981 -0.011564 -0.011470 0.006248 0.002306 1Rh 4dxz 0.018469 -0.013148 -0.004214 0.039445 0.007652 0.011181 1Rh 4dyz -0.010032 -0.011206 -0.001602 0.044055 0.002237 0.013613 1Rh 4dx2y2 -0.013545 -0.013323 0.018103 0.020082 -0.012835 -0.006869 1Rh 4dxy 0.010013 0.003213 0.001009 0.001656 -0.005576 0.052580 1Rh 5dz2 0.000653 -0.018168 0.102405 -0.028429 0.121237 -0.051387 1Rh 5dxz -0.038060 0.040742 0.116228 -0.044494 0.125617 -0.023300 1Rh 5dyz -0.002918 0.033878 0.028416 -0.169334 0.077682 -0.117432 1Rh 5dx2y2 0.020966 0.020164 -0.192760 -0.046574 -0.188494 0.011943 1Rh 5dxy -0.041279 -0.011579 -0.061076 -0.047861 -0.049313 -0.097031 1Rh 1f0 0.022489 0.020658 0.008360 0.018351 -0.005899 -0.028271 1Rh 1f+1 0.011800 -0.012130 -0.006472 -0.012083 0.001409 -0.008537 1Rh 1f-1 0.051897 -0.020299 -0.003817 -0.029325 0.000787 -0.049141 1Rh 1f+2 -0.010394 0.048602 -0.002553 0.052095 -0.009595 -0.002799 1Rh 1f-2 0.033730 0.020563 -0.001521 0.014043 -0.006142 -0.038457 1Rh 1f+3 -0.010193 -0.032071 -0.012497 -0.029303 0.006948 0.016818 1Rh 1f-3 0.016379 0.009830 -0.005512 0.008399 -0.002783 -0.017355 2C 1s 0.003709 -0.002070 -0.002847 0.000803 -0.000810 0.000450 2C 2s 0.005029 -0.002871 -0.004387 0.001149 -0.000733 0.000664 2C 3s -0.113222 0.069750 0.144113 -0.034544 -0.017319 -0.023081 2C 4s -0.035520 0.001705 -0.210714 -0.048329 0.045854 -0.052498 2C 5s -0.730272 0.444775 0.728503 0.016571 -0.056334 -0.003153 2C 1pz -0.024236 0.017942 0.027690 0.006708 0.016629 0.008170 2C 1px -0.005544 0.001996 0.005494 -0.051457 -0.056632 -0.048432 2C 1py -0.020632 0.005636 0.016845 -0.015461 -0.009880 -0.011870 2C 2pz -0.082298 0.027577 -0.082870 -0.225494 -0.181013 -0.206638 2C 2px -0.044830 0.042802 0.002081 0.331912 0.405551 0.312827 2C 2py -0.007977 0.033706 -0.069468 -0.000500 0.034391 -0.008919 2C 3pz -0.203185 0.105920 0.173995 0.007205 -0.012096 0.001236 2C 3px 0.093308 -0.052491 -0.017240 0.017874 0.015341 0.005334 2C 3py -0.141658 0.108015 0.125626 -0.003290 -0.005905 -0.003681 2C 1dz2 0.000676 0.006919 -0.002054 0.029019 0.037519 0.027371 2C 1dxz 0.002561 -0.002137 -0.010254 -0.063120 -0.069850 -0.058528 2C 1dyz -0.006187 0.000529 -0.002372 -0.000224 0.006097 0.001254 2C 1dx2y2 0.006354 0.001137 0.003329 0.004969 0.001187 0.006117 2C 1dxy -0.000487 -0.002505 -0.001729 -0.044324 -0.052148 -0.044065 2C 2dz2 -0.046415 -0.000488 -0.007297 -0.102235 -0.097197 -0.093958 2C 2dxz -0.015714 0.010992 0.029600 0.037883 0.049915 0.032440 2C 2dyz -0.018432 0.026959 -0.042583 0.010356 0.038079 0.003832 2C 2dx2y2 0.059169 -0.046496 -0.051612 0.129944 0.127911 0.107938 2C 2dxy 0.019036 -0.007442 -0.023680 0.053807 0.075339 0.064128 2C 1f0 -0.020926 0.008738 0.012916 0.037154 0.047505 0.036490 2C 1f+1 -0.055383 0.030912 0.036610 -0.036743 -0.023597 -0.032921 2C 1f-1 0.004108 -0.003061 -0.010382 0.002864 0.005230 0.001593 2C 1f+2 0.034423 -0.022541 -0.019212 -0.018932 -0.034328 -0.020537 2C 1f-2 0.004043 -0.006023 -0.010879 -0.034325 -0.036017 -0.032126 2C 1f+3 0.001616 0.000619 0.000850 -0.024884 -0.026405 -0.022346 2C 1f-3 -0.047307 0.029192 0.034147 0.003670 0.018798 0.006447 3C 1s -0.002054 -0.003753 -0.002627 -0.001717 -0.000090 -0.000688 3C 2s -0.002786 -0.005048 -0.004159 -0.001615 0.000082 -0.000844 3C 3s 0.062455 0.112455 0.146838 -0.026274 -0.024075 0.017731 3C 4s 0.037553 0.033732 -0.240305 0.202965 0.047951 0.093660 3C 5s 0.409931 0.742991 0.735500 -0.249950 -0.101646 0.004885 3C 1pz 0.006314 0.018920 0.014273 0.020749 0.010473 -0.013905 3C 1px 0.000029 0.009627 0.009535 -0.051686 -0.037178 0.055438 3C 1py -0.017446 -0.024252 -0.027329 -0.011909 -0.003329 0.003664 3C 2pz 0.014142 -0.025754 -0.081307 -0.115988 -0.100953 0.193554 3C 2px 0.068066 0.034445 -0.037516 0.407850 0.254205 -0.339912 3C 2py -0.063451 -0.096319 0.082504 0.009537 0.066987 -0.198631 3C 3pz 0.138630 0.206235 0.141286 -0.017157 -0.022721 0.012562 3C 3px 0.000473 -0.004052 0.033440 -0.029984 0.008865 -0.004192 3C 3py -0.074188 -0.162972 -0.159812 0.051770 0.021124 0.007477 3C 1dz2 -0.000885 0.005881 0.001435 0.024562 0.016072 -0.022439 3C 1dxz -0.003282 0.003636 -0.004277 -0.038297 -0.027934 0.042184 3C 1dyz -0.005473 -0.009628 -0.001585 -0.038737 -0.022989 0.027243 3C 1dx2y2 -0.007958 -0.001009 0.006886 -0.042062 -0.026141 0.029804 3C 1dxy 0.003967 0.003047 0.008587 0.057104 0.043435 -0.064547 3C 2dz2 0.029453 0.019050 0.035543 -0.042671 -0.027933 0.030005 3C 2dxz 0.033800 0.038160 0.034744 -0.046949 -0.047839 0.083514 3C 2dyz -0.032679 -0.023559 0.050484 -0.029511 0.002418 -0.039147 3C 2dx2y2 -0.017309 -0.051505 -0.018648 0.088947 0.076139 -0.123136 3C 2dxy -0.022795 -0.008082 0.007553 -0.117568 -0.077310 0.097887 3C 1f0 0.014247 0.025973 0.019849 0.009703 0.003294 -0.005440 3C 1f+1 0.023285 0.036867 0.023844 0.027811 0.011128 -0.012124 3C 1f-1 -0.008806 -0.004267 -0.005379 -0.012879 -0.007688 0.010360 3C 1f+2 0.004575 0.006205 0.015959 -0.040070 -0.025138 0.032218 3C 1f-2 -0.017731 -0.030009 -0.012921 -0.002051 0.007033 -0.017942 3C 1f+3 0.020798 0.038046 0.022355 -0.033606 -0.031069 0.051409 3C 1f-3 -0.033231 -0.052620 -0.034309 -0.063087 -0.032483 0.040685 4C 1s 0.020202 -0.011303 -0.003864 0.007429 0.000782 0.005909 4C 2s 0.034560 -0.018955 0.000956 0.014332 0.000289 0.011464 4C 3s 0.089437 -0.061162 -0.220163 -0.002244 0.043640 -0.007980 4C 4s -1.825008 1.037767 0.864289 -0.609528 -0.177905 -0.444480 4C 5s -0.150198 -0.000154 -0.480196 -0.096226 -0.007305 -0.112825 4C 1pz -0.063656 0.032587 -0.000854 -0.058483 -0.039826 -0.052235 4C 1px -0.013038 0.006463 0.015864 0.127700 0.142306 0.123329 4C 1py -0.040951 0.025521 0.004478 0.012346 0.028697 0.014575 4C 2pz -0.203311 0.150938 -0.264593 -0.360792 -0.259714 -0.320333 4C 2px 0.003663 0.019377 0.028525 0.386731 0.535379 0.359859 4C 2py -0.168249 0.017282 -0.145249 -0.069306 0.053534 -0.057027 4C 3pz -0.607129 0.373254 0.494114 -0.087101 -0.126780 -0.113532 4C 3px -0.172969 0.092711 0.125748 0.173899 0.201183 0.169050 4C 3py -0.445776 0.173550 0.324502 0.021304 0.008802 -0.004085 4C 1dz2 0.117734 -0.062545 -0.070109 -0.059709 -0.107903 -0.068816 4C 1dxz 0.127421 -0.063376 -0.035356 0.190533 0.180902 0.182059 4C 1dyz 0.050537 -0.034946 -0.049703 -0.004445 -0.007586 0.001023 4C 1dx2y2 -0.191794 0.118782 0.079568 -0.052621 0.012977 -0.030660 4C 1dxy -0.070055 0.044886 0.035291 0.101107 0.134791 0.086750 4C 2dz2 0.413699 -0.259398 -0.325907 -0.196212 -0.355124 -0.220530 4C 2dxz 0.462110 -0.227429 -0.242105 0.714042 0.712021 0.673078 4C 2dyz 0.225475 -0.138107 -0.186963 0.054852 -0.020221 0.050636 4C 2dx2y2 -0.670067 0.393087 0.454032 -0.185465 -0.031666 -0.120370 4C 2dxy -0.206728 0.146136 0.177378 0.407466 0.490184 0.368243 4C 1f0 0.024251 -0.028469 -0.033446 -0.258862 -0.288860 -0.255057 4C 1f+1 0.003499 -0.001104 0.018240 0.247674 0.293615 0.244434 4C 1f-1 0.056039 -0.034843 -0.073321 -0.068687 -0.080535 -0.064621 4C 1f+2 -0.038382 0.045652 0.045206 0.176117 0.189502 0.174132 4C 1f-2 0.011669 0.029890 0.010319 0.303933 0.338482 0.287197 4C 1f+3 -0.018650 0.001199 0.016004 0.265302 0.290601 0.247865 4C 1f-3 0.019108 0.012161 0.005970 0.049305 0.058412 0.047531 5C 1s -0.012252 -0.020467 -0.002916 -0.005958 0.002056 -0.007182 5C 2s -0.021459 -0.035430 0.003106 -0.014974 0.002779 -0.014357 5C 3s -0.042179 -0.082194 -0.230880 0.103164 0.031864 0.027331 5C 4s 1.072876 1.836742 0.812540 0.264646 -0.231504 0.503745 5C 5s 0.062614 0.142104 -0.493776 0.216365 -0.004975 0.132732 5C 1pz 0.022052 0.030264 -0.006565 -0.033196 -0.034252 0.054563 5C 1px 0.023952 0.047446 0.018945 0.157815 0.100392 -0.130815 5C 1py -0.034088 -0.061782 0.002129 0.003023 0.021717 -0.041668 5C 2pz 0.036627 0.125054 -0.171111 -0.049786 -0.170221 0.281492 5C 2px 0.073822 0.211677 -0.052619 0.573356 0.444693 -0.367968 5C 2py -0.193354 -0.167661 0.281199 -0.089161 0.118192 -0.318909 5C 3pz 0.130223 0.352361 0.260944 -0.146548 -0.099826 0.090938 5C 3px 0.137315 0.306371 0.242626 0.167310 0.140030 -0.179140 5C 3py -0.375154 -0.619733 -0.493006 0.166753 0.101502 -0.087697 5C 1dz2 -0.066572 -0.091710 -0.028729 -0.085037 -0.037058 0.035152 5C 1dxz -0.074789 -0.120719 -0.043994 0.054217 0.077518 -0.130323 5C 1dyz 0.011777 0.010613 0.037229 0.067782 0.057844 -0.087082 5C 1dx2y2 0.128472 0.222510 0.095245 0.152442 0.058793 -0.047191 5C 1dxy 0.033708 0.065208 0.027784 -0.165592 -0.132992 0.178454 5C 2dz2 -0.184128 -0.284080 -0.181879 -0.235602 -0.128803 0.180006 5C 2dxz -0.242769 -0.440607 -0.292876 0.309253 0.302265 -0.483096 5C 2dyz 0.069915 0.072111 0.083200 0.332155 0.209962 -0.253624 5C 2dx2y2 0.459536 0.745431 0.496851 0.431009 0.167219 -0.173987 5C 2dxy 0.133124 0.277519 0.181433 -0.604054 -0.471973 0.693423 5C 1f0 0.005771 0.009427 0.030373 -0.131913 -0.084151 0.132299 5C 1f+1 0.017763 -0.016905 0.007870 0.067248 0.041269 -0.062167 5C 1f-1 0.034181 0.011847 0.017601 0.147883 0.099464 -0.145699 5C 1f+2 0.040876 0.070542 0.070110 0.340218 0.218611 -0.336286 5C 1f-2 0.009063 0.019650 0.024973 -0.143709 -0.097863 0.127553 5C 1f+3 0.020595 -0.010101 -0.005567 0.374728 0.237416 -0.338809 5C 1f-3 0.062146 0.034960 0.033180 0.325157 0.216098 -0.327217 6C 1s 0.012169 0.020461 -0.002914 -0.006286 -0.001860 -0.006812 6C 2s 0.021211 0.035424 0.003147 -0.015367 -0.001781 -0.013948 6C 3s 0.043574 0.081396 -0.232161 0.096759 -0.048070 0.035214 6C 4s -1.066002 -1.831991 0.815548 0.304629 0.245844 0.459899 6C 5s -0.057702 -0.141028 -0.497200 0.215119 -0.021020 0.136663 6C 1pz 0.021683 0.030138 0.006701 0.026043 -0.047168 -0.045446 6C 1px 0.023951 0.047668 -0.019294 -0.136197 0.146025 0.102862 6C 1py -0.033693 -0.061614 -0.002235 0.001415 0.027292 0.036365 6C 2pz 0.033498 0.124872 0.172840 0.013832 -0.214205 -0.248764 6C 2px 0.073760 0.212837 0.051213 -0.472400 0.593664 0.277642 6C 2py -0.188240 -0.168103 -0.283409 0.112232 0.141613 0.294334 6C 3pz 0.132523 0.352080 -0.259637 0.125475 -0.138819 -0.067851 6C 3px 0.140951 0.307022 -0.242742 -0.135092 0.192376 0.146020 6C 3py -0.379740 -0.617367 0.490463 -0.146734 0.144028 0.061981 6C 1dz2 0.066214 0.091734 -0.028928 -0.077088 0.057223 0.023158 6C 1dxz 0.074641 0.120623 -0.044017 0.038655 -0.103825 -0.108772 6C 1dyz -0.012237 -0.010750 0.037457 0.056022 -0.081186 -0.070069 6C 1dx2y2 -0.128345 -0.222600 0.095783 0.139683 -0.092698 -0.027349 6C 1dxy -0.033640 -0.064814 0.027522 -0.138487 0.185765 0.139725 6C 2dz2 0.184195 0.283779 -0.182520 -0.209321 0.194400 0.133426 6C 2dxz 0.244402 0.440846 -0.293211 0.250115 -0.420951 -0.388580 6C 2dyz -0.070585 -0.073171 0.083450 0.290997 -0.302756 -0.184586 6C 2dx2y2 -0.460688 -0.745872 0.498172 0.396034 -0.266764 -0.106767 6C 2dxy -0.134334 -0.277228 0.180640 -0.511640 0.672035 0.541161 6C 1f0 0.006295 0.009315 -0.030438 0.115600 -0.125508 -0.101826 6C 1f+1 0.017824 -0.016731 -0.007889 -0.059217 0.061410 0.047393 6C 1f-1 0.034047 0.011980 -0.017772 -0.128186 0.145206 0.112445 6C 1f+2 0.040813 0.070918 -0.070708 -0.297357 0.324069 0.259202 6C 1f-2 0.009301 0.019322 -0.024996 0.124088 -0.140431 -0.096606 6C 1f+3 0.020190 -0.009554 0.005413 -0.328295 0.349740 0.257023 6C 1f-3 0.061865 0.035194 -0.033594 -0.282451 0.317431 0.252685 7C 1s -0.020224 0.011248 -0.003873 0.007159 -0.001398 0.005916 7C 2s -0.034562 0.018866 0.000964 0.014054 -0.001450 0.011458 7C 3s -0.088987 0.061572 -0.220705 -0.011470 -0.044912 -0.007466 7C 4s 1.821444 -1.036526 0.865667 -0.561301 0.235817 -0.444702 7C 5s 0.148822 -0.000187 -0.480030 -0.093072 0.009526 -0.114291 7C 1pz -0.063213 0.032499 0.001023 0.049550 -0.042442 0.055894 7C 1px -0.013398 0.006265 -0.016315 -0.097478 0.145353 -0.137243 7C 1py -0.041032 0.025551 -0.004573 -0.006420 0.028227 -0.017361 7C 2pz -0.204339 0.149531 0.265428 0.304751 -0.277141 0.354436 7C 2px 0.002835 0.019128 -0.030176 -0.280054 0.540611 -0.435223 7C 2py -0.169969 0.016645 0.146231 0.078458 0.044353 0.048672 7C 3pz -0.609876 0.368996 -0.494349 0.058545 -0.124867 0.122815 7C 3px -0.174012 0.092158 -0.125547 -0.132599 0.203168 -0.195816 7C 3py -0.451017 0.173269 -0.327522 -0.020646 0.011457 -0.000970 7C 1dz2 -0.118335 0.062007 -0.070538 -0.036656 0.106227 -0.077960 7C 1dxz -0.126957 0.063113 -0.034705 0.150750 -0.186919 0.196079 7C 1dyz -0.050792 0.034614 -0.049951 -0.002854 0.008517 -0.000191 7C 1dx2y2 0.192158 -0.118204 0.079878 -0.054551 -0.006281 -0.029014 7C 1dxy 0.070409 -0.044550 0.035843 0.072196 -0.138502 0.098455 7C 2dz2 -0.415911 0.256060 -0.327258 -0.118689 0.350286 -0.244174 7C 2dxz -0.462664 0.226444 -0.240612 0.554942 -0.738023 0.715001 7C 2dyz -0.228743 0.136491 -0.187516 0.058893 0.015826 0.048729 7C 2dx2y2 0.674021 -0.391055 0.455680 -0.176853 0.053176 -0.120417 7C 2dxy 0.207738 -0.144716 0.179346 0.299077 -0.503482 0.401238 7C 1f0 0.024653 -0.027802 0.034042 0.193884 -0.294363 0.271180 7C 1f+1 0.002573 -0.001774 -0.019341 -0.182096 0.299124 -0.261430 7C 1f-1 0.056281 -0.034527 0.073758 0.051040 -0.082615 0.071096 7C 1f+2 -0.038928 0.045394 -0.046179 -0.133326 0.193443 -0.184155 7C 1f-2 0.010757 0.029361 -0.011558 -0.228768 0.348348 -0.308038 7C 1f+3 -0.019333 0.000670 -0.016980 -0.200716 0.300363 -0.265249 7C 1f-3 0.018805 0.011868 -0.006077 -0.036118 0.060251 -0.049712 8C 1s 0.002066 0.003760 -0.002638 -0.001706 0.000330 -0.000757 8C 2s 0.002802 0.005051 -0.004175 -0.001639 0.000117 -0.000877 8C 3s -0.062953 -0.112070 0.147589 -0.021890 0.031576 0.011543 8C 4s -0.037087 -0.036131 -0.242769 0.194250 -0.073996 0.108716 8C 5s -0.416252 -0.741235 0.734560 -0.230269 0.150089 -0.022364 8C 1pz 0.006315 0.018883 -0.014360 -0.018754 0.016072 0.009904 8C 1px 0.000146 0.009618 -0.009617 0.044606 -0.053784 -0.042414 8C 1py -0.017499 -0.024232 0.027426 0.011247 -0.005959 -0.002068 8C 2pz 0.014168 -0.024143 0.081724 0.097469 -0.147830 -0.157613 8C 2px 0.067309 0.035527 0.038129 -0.359709 0.372481 0.247370 8C 2py -0.062697 -0.096865 -0.084201 0.001891 0.095267 0.175215 8C 3pz 0.139481 0.204811 -0.140796 0.013344 -0.027312 -0.006659 8C 3px -0.000483 -0.006549 -0.032475 0.030852 0.003338 0.001963 8C 3py -0.076720 -0.164286 0.160197 -0.047456 0.030121 -0.012420 8C 1dz2 0.000976 -0.005880 0.001445 0.021278 -0.023306 -0.016850 8C 1dxz 0.003292 -0.003649 -0.004337 -0.032739 0.040259 0.032826 8C 1dyz 0.005355 0.009629 -0.001494 -0.034244 0.033627 0.019648 8C 1dx2y2 0.007860 0.001171 0.006858 -0.036788 0.037528 0.021268 8C 1dxy -0.003982 -0.003058 0.008702 0.048683 -0.062189 -0.050362 8C 2dz2 -0.029532 -0.018872 0.035759 -0.039087 0.041323 0.021257 8C 2dxz -0.034106 -0.038331 0.035083 -0.037398 0.067135 0.068725 8C 2dyz 0.032196 0.023532 0.051395 -0.030032 -0.001065 -0.036305 8C 2dx2y2 0.017828 0.052481 -0.018775 0.075838 -0.109743 -0.097469 8C 2dxy 0.022287 0.008049 0.007663 -0.102105 0.109769 0.067913 8C 1f0 0.014313 0.025871 -0.019839 -0.009444 0.006318 0.004538 8C 1f+1 0.023401 0.036965 -0.024046 -0.025489 0.017703 0.007771 8C 1f-1 -0.008756 -0.004219 0.005328 0.011308 -0.011499 -0.008252 8C 1f+2 0.004614 0.006134 -0.015996 0.035008 -0.036790 -0.024694 8C 1f-2 -0.017758 -0.030032 0.012820 0.003716 0.008759 0.016222 8C 1f+3 0.021046 0.038124 -0.022452 0.027025 -0.043500 -0.041826 8C 1f-3 -0.033220 -0.052560 0.034205 0.056598 -0.049530 -0.030187 9C 1s -0.003727 0.002061 -0.002860 0.000950 0.000708 0.000361 9C 2s -0.005043 0.002861 -0.004402 0.001277 0.000588 0.000572 9C 3s 0.112676 -0.069703 0.144261 -0.030407 0.021115 -0.022347 9C 4s 0.041313 0.000770 -0.210379 -0.057804 -0.044590 -0.055268 9C 5s 0.733823 -0.442485 0.729647 0.031632 0.052899 -0.000220 9C 1pz -0.024177 0.017847 -0.027689 -0.003064 0.016234 -0.009282 9C 1px -0.005485 0.002085 -0.005389 0.038710 -0.058355 0.051352 9C 1py -0.020665 0.005677 -0.017019 0.013190 -0.011072 0.012183 9C 2pz -0.084359 0.024976 0.083998 0.184168 -0.191815 0.218847 9C 2px -0.045269 0.041002 -0.002154 -0.240629 0.415677 -0.332943 9C 2py -0.012419 0.033612 0.068787 0.009369 0.034224 0.010778 9C 3pz -0.206603 0.106399 -0.175140 -0.009867 -0.010992 -0.001586 9C 3px 0.094751 -0.053199 0.017779 -0.014066 0.018016 -0.004832 9C 3py -0.139546 0.105277 -0.124896 0.000959 -0.005803 0.002861 9C 1dz2 -0.000338 -0.006882 -0.001814 0.020664 -0.038188 0.029600 9C 1dxz -0.002564 0.001949 -0.010363 -0.047700 0.072069 -0.063252 9C 1dyz 0.006185 -0.000367 -0.002493 -0.001508 -0.005715 0.001504 9C 1dx2y2 -0.006321 -0.001220 0.003415 0.004724 -0.001386 0.006187 9C 1dxy 0.000310 0.002500 -0.001990 -0.032654 0.053004 -0.047270 9C 2dz2 0.047945 0.000495 -0.007152 -0.079840 0.100882 -0.098212 9C 2dxz 0.016834 -0.010719 0.030497 0.024484 -0.048484 0.030277 9C 2dyz 0.018947 -0.025648 -0.043213 0.001331 -0.037573 0.004565 9C 2dx2y2 -0.059772 0.046102 -0.051580 0.100800 -0.134487 0.115125 9C 2dxy -0.019869 0.008049 -0.024119 0.039988 -0.079560 0.070268 9C 1f0 -0.021247 0.008616 -0.013164 -0.026506 0.047833 -0.039711 9C 1f+1 -0.055466 0.030618 -0.036515 0.030741 -0.024563 0.033763 9C 1f-1 0.003853 -0.003131 0.010278 -0.001886 0.005705 -0.002150 9C 1f+2 0.034409 -0.022082 0.019009 0.011584 -0.034217 0.023136 9C 1f-2 0.003694 -0.005694 0.010610 0.026901 -0.037652 0.035861 9C 1f+3 0.001830 0.000403 -0.000513 0.019680 -0.028327 0.025265 9C 1f-3 -0.047759 0.029085 -0.034553 0.000522 0.017825 -0.007777 10H 1s 0.010063 -0.006234 0.001067 -0.057801 -0.068204 -0.054889 10H 2s 0.002226 -0.004788 0.021676 -0.185511 -0.217699 -0.164831 10H 3s -0.074860 0.040358 0.000309 0.001116 0.018089 0.002013 10H 1pz -0.012909 0.006425 0.010092 -0.058939 -0.064814 -0.052252 10H 1px -0.027291 0.015951 0.013922 0.040913 0.053775 0.039044 10H 1py -0.014964 0.007848 0.012457 -0.027946 -0.031454 -0.027963 11H 1s -0.016798 0.009896 0.007583 0.012074 0.019985 0.015026 11H 2s -0.007685 0.009206 0.003276 0.016184 0.033386 0.020036 11H 3s 0.105383 -0.070419 -0.058824 0.011000 0.002980 0.003871 11H 1pz -0.007740 0.002572 0.012398 0.006537 0.008696 0.007624 11H 1px -0.010748 0.007003 0.004304 0.006905 0.010825 0.005137 11H 1py 0.010062 -0.007891 -0.003230 0.009215 0.005664 0.006589 12H 1s -0.007277 0.007958 0.008970 0.032928 0.035035 0.028073 12H 2s 0.032684 -0.009665 -0.021769 0.065141 0.071291 0.048655 12H 3s 0.046352 -0.024174 -0.032845 -0.003740 0.001194 0.000017 12H 1pz -0.002321 0.004459 0.007029 0.008878 0.010118 0.008839 12H 1px 0.003772 -0.000822 -0.007588 0.015460 0.018309 0.013816 12H 1py 0.005230 0.003715 0.002444 0.023177 0.023948 0.020301 13H 1s -0.009900 -0.012487 0.002413 -0.071436 -0.042336 0.060698 13H 2s -0.008660 -0.013501 0.022169 -0.191514 -0.136020 0.187162 13H 3s 0.038165 0.060342 -0.005546 0.037762 0.008352 -0.006147 13H 1pz -0.002124 -0.002730 0.006394 -0.060981 -0.039340 0.053338 13H 1px 0.016792 0.028846 0.015436 0.037377 0.021002 -0.029739 13H 1py -0.007019 -0.013764 -0.011191 0.045484 0.033940 -0.049111 14H 1s 0.007904 0.004906 0.008002 0.037297 0.025417 -0.042509 14H 2s -0.004671 -0.038635 -0.022327 0.071687 0.063509 -0.088420 14H 3s -0.008745 -0.019748 -0.023303 0.015538 0.004452 0.006244 14H 1pz 0.004740 -0.002674 0.006789 0.012767 0.011404 -0.019001 14H 1px 0.000714 -0.010421 -0.008367 0.028702 0.022159 -0.032969 14H 1py -0.006318 -0.006702 -0.007397 -0.011309 -0.007961 0.011803 15H 1s 0.011323 0.019345 0.006674 0.018245 0.007107 -0.008042 15H 2s 0.023292 0.024037 0.018560 0.028975 0.016980 -0.009324 15H 3s -0.080095 -0.122520 -0.066434 0.003313 0.012193 -0.014140 15H 1pz -0.014377 -0.017992 -0.006394 -0.004510 0.001684 -0.006295 15H 1px 0.002020 0.003669 0.001844 0.006717 0.005440 -0.009044 15H 1py -0.007158 -0.014594 -0.017739 -0.004496 -0.003643 0.005404 16H 1s 0.025388 -0.031443 0.015754 -0.052814 -0.035819 -0.058077 16H 2s -0.005617 -0.020886 0.087237 -0.081166 -0.056574 -0.119074 16H 3s -0.020378 0.031744 -0.054542 0.027186 0.050553 0.012383 16H 1pz 0.010231 -0.021995 0.030647 -0.054906 -0.037107 -0.067877 16H 1px 0.009996 -0.011822 -0.005475 0.003824 0.006654 0.010443 16H 1py 0.011983 -0.009481 0.011843 -0.017433 -0.019023 -0.031633 17H 1s 0.004155 0.037358 0.017049 0.036564 -0.023032 -0.001316 17H 2s -0.022617 0.009270 0.092321 0.028683 -0.023403 -0.074124 17H 3s -0.002188 -0.027988 -0.055210 -0.001199 0.055775 -0.003667 17H 1pz 0.003355 -0.024279 -0.021466 -0.023267 0.014886 0.011142 17H 1px 0.004302 0.000062 -0.025142 -0.019533 0.013040 0.026448 17H 1py 0.001869 0.017020 0.017645 0.012318 -0.015279 -0.019285 18H 1s -0.004403 -0.037217 0.016130 0.035278 0.014755 -0.015402 18H 2s 0.020649 -0.008108 0.089398 0.020007 0.006010 -0.095026 18H 3s 0.001575 0.027880 -0.054984 -0.011072 -0.054469 0.006541 18H 1pz 0.003148 -0.024614 0.021337 0.022531 0.008619 -0.020421 18H 1px 0.003375 0.000431 0.024067 0.016785 0.004912 -0.035902 18H 1py 0.002123 0.016255 -0.016249 -0.010592 -0.009391 0.026738 19H 1s -0.025142 0.032256 0.015685 -0.044927 0.037541 -0.052335 19H 2s 0.006776 0.023911 0.086575 -0.071142 0.055445 -0.102906 19H 3s 0.020966 -0.031396 -0.054444 0.017185 -0.052954 0.019383 19H 1pz 0.009477 -0.023000 -0.029941 0.047049 -0.037243 0.059543 19H 1px 0.010264 -0.011034 0.005738 -0.003188 0.006276 -0.009955 19H 1py 0.012293 -0.010572 -0.012549 0.015174 -0.018783 0.030816 20H 1s -0.011305 -0.019248 0.006707 0.017185 -0.011910 -0.005482 20H 2s -0.022711 -0.023099 0.017806 0.025874 -0.024027 -0.004950 20H 3s 0.079725 0.121291 -0.065919 0.001319 -0.014509 -0.011017 20H 1pz -0.014160 -0.017706 0.006187 0.004705 0.001643 0.005815 20H 1px 0.002099 0.003750 -0.001800 -0.005861 0.007999 0.007247 20H 1py -0.007067 -0.014237 0.017566 0.003896 -0.005320 -0.004329 21H 1s -0.007996 -0.005144 0.008040 0.032100 -0.037342 -0.033077 21H 2s 0.005379 0.038480 -0.022712 0.058459 -0.086560 -0.066677 21H 3s 0.009524 0.021350 -0.023696 0.014605 -0.006680 0.006868 21H 1pz 0.004657 -0.002782 -0.006734 -0.010322 0.015901 0.014930 21H 1px 0.000604 -0.010129 0.008332 -0.024070 0.031131 0.024953 21H 1py -0.006173 -0.006367 0.007326 0.009673 -0.011430 -0.008795 22H 1s 0.009826 0.012632 0.002434 -0.063330 0.063572 0.046156 22H 2s 0.008179 0.012848 0.023022 -0.166640 0.196469 0.141720 22H 3s -0.038562 -0.061036 -0.005432 0.036349 -0.016535 -0.001869 22H 1pz -0.001972 -0.002520 -0.006520 0.053389 -0.057435 -0.039794 22H 1px 0.016936 0.028994 -0.015414 -0.033700 0.032117 0.022464 22H 1py -0.007148 -0.013871 0.011383 -0.039481 0.049070 0.037756 23H 1s 0.007715 -0.008027 0.009041 0.024412 -0.035847 0.029286 23H 2s -0.031938 0.009702 -0.021669 0.047210 -0.072794 0.051361 23H 3s -0.048862 0.025938 -0.033788 -0.003755 -0.000781 -0.000168 23H 1pz -0.001722 0.004115 -0.006849 -0.006617 0.010127 -0.009316 23H 1px 0.003413 -0.000691 0.007371 -0.010846 0.018311 -0.014397 23H 1py 0.004850 0.003782 -0.002613 -0.017148 0.024165 -0.021017 24H 1s 0.016564 -0.009730 0.007667 0.008255 -0.020385 0.016928 24H 2s 0.005988 -0.007558 0.001476 0.009956 -0.034031 0.024213 24H 3s -0.103526 0.068949 -0.057726 0.009278 -0.004557 0.002390 24H 1pz -0.007323 0.002186 -0.012013 -0.004964 0.009005 -0.008719 24H 1px -0.010342 0.006647 -0.003816 -0.004762 0.011506 -0.006390 24H 1py 0.009492 -0.007400 0.002892 -0.007786 0.006589 -0.006827 25H 1s -0.010254 0.006197 0.000900 -0.042769 0.070150 -0.059327 25H 2s -0.001273 0.004303 0.022191 -0.137428 0.226508 -0.179070 25H 3s 0.075999 -0.040289 0.000530 -0.003155 -0.017847 0.003001 25H 1pz -0.013035 0.006481 -0.010170 0.044697 -0.067928 0.056278 25H 1px -0.027364 0.015835 -0.014001 -0.029095 0.055093 -0.042714 25H 1py -0.015411 0.007999 -0.012521 0.020709 -0.031762 0.029289 26O 1s 0.004562 -0.002890 0.000008 -0.002312 -0.003987 -0.002509 26O 2s 0.015743 -0.009967 -0.001564 -0.008603 -0.014498 -0.009233 26O 3s -0.226612 0.143874 0.048001 0.119272 0.196349 0.127682 26O 4s 0.605158 -0.407713 -0.205544 -0.448695 -0.608493 -0.459407 26O 5s 0.948270 -0.448620 -0.723973 0.268250 -0.178959 0.205412 26O 1pz 0.069635 -0.039698 -0.052901 0.069455 0.060010 0.062122 26O 1px 0.052211 -0.032107 -0.000992 -0.059641 -0.096719 -0.061076 26O 1py 0.063979 -0.031559 -0.032433 0.019610 0.001208 0.016595 26O 2pz -0.301029 0.154903 0.219459 -0.393962 -0.361664 -0.370356 26O 2px -0.401442 0.242520 0.161878 0.269376 0.447133 0.274821 26O 2py -0.329992 0.187501 0.192684 -0.149664 -0.056352 -0.117059 26O 3pz -0.085250 0.028247 -0.131990 0.163535 0.173498 0.181025 26O 3px -0.299377 0.139928 -0.043643 0.150477 0.335232 0.162946 26O 3py -0.141644 0.112994 -0.083989 0.182509 0.217495 0.139238 26O 1dz2 -0.048436 -0.012960 0.092913 -0.134399 -0.182134 -0.185661 26O 1dxz -0.365360 0.172128 0.288684 -0.137451 -0.098667 -0.145933 26O 1dyz -0.210272 0.126759 0.160454 -0.258086 -0.191238 -0.212510 26O 1dx2y2 0.097079 -0.109131 -0.186767 0.178655 0.173310 0.112582 26O 1dxy -0.191473 0.119106 0.077597 -0.058509 0.020350 -0.028933 26O 2dz2 -0.024970 0.058529 -0.066880 0.210538 0.290601 0.259629 26O 2dxz 0.463604 -0.209310 -0.350170 0.383496 0.344229 0.379825 26O 2dyz 0.252905 -0.141172 -0.189099 0.402581 0.338628 0.349985 26O 2dx2y2 -0.031968 0.073374 0.174424 -0.343020 -0.377312 -0.267436 26O 2dxy 0.317181 -0.199132 -0.139246 0.136226 0.017404 0.088863 26O 1f0 0.118390 -0.041268 -0.072141 0.167118 0.167213 0.176579 26O 1f+1 0.035687 -0.026698 -0.003718 -0.145250 -0.175859 -0.138761 26O 1f-1 0.056235 -0.039189 -0.020255 0.015446 -0.014954 0.011677 26O 1f+2 -0.118143 0.060847 0.084466 -0.117991 -0.094654 -0.103045 26O 1f-2 -0.085651 0.035560 0.041634 -0.220491 -0.217301 -0.204378 26O 1f+3 -0.043525 0.041031 0.059002 -0.181434 -0.188519 -0.156470 26O 1f-3 0.091649 -0.061148 -0.020431 0.008633 -0.036252 -0.006976 27O 1s -0.003226 -0.005130 0.000104 -0.005983 -0.002324 0.002587 27O 2s -0.011163 -0.017659 -0.001066 -0.020942 -0.008688 0.009765 27O 3s 0.159670 0.253077 0.039976 0.277618 0.118828 -0.137816 27O 4s -0.438537 -0.662735 -0.188602 -0.752121 -0.363931 0.511717 27O 5s -0.543884 -1.079170 -0.611766 -0.456064 -0.175423 -0.207274 27O 1pz -0.014105 -0.036565 -0.033575 0.052323 0.037067 -0.054100 27O 1px -0.049344 -0.080568 -0.002629 -0.122935 -0.060177 0.057191 27O 1py 0.041667 0.074885 0.050950 -0.036091 -0.034410 0.059883 27O 2pz 0.054948 0.123137 0.121511 -0.293281 -0.200893 0.311370 27O 2px 0.326124 0.535343 0.168827 0.536051 0.263981 -0.255272 27O 2py -0.172497 -0.345379 -0.229134 0.268377 0.209398 -0.353293 27O 3pz 0.042160 -0.003894 -0.040160 0.021377 0.023922 -0.106355 27O 3px 0.224092 0.405754 -0.062369 0.429375 0.298184 -0.193588 27O 3py -0.063340 -0.136734 0.089916 -0.208778 -0.122091 0.164022 27O 1dz2 -0.027558 -0.123400 0.006035 -0.065641 -0.026317 0.011703 27O 1dxz 0.163341 0.217355 0.228834 -0.084988 -0.108172 0.174402 27O 1dyz -0.045842 -0.060613 -0.047531 0.134105 0.094964 -0.208600 27O 1dx2y2 0.012275 -0.044684 -0.165076 0.309645 0.165869 -0.170615 27O 1dxy -0.198990 -0.405481 -0.277745 0.039635 0.102639 -0.177253 27O 2dz2 0.085200 0.218997 0.026842 0.117353 0.043154 -0.010120 27O 2dxz -0.174953 -0.239346 -0.264695 0.288256 0.249998 -0.389327 27O 2dyz 0.043255 0.056535 0.049252 -0.175999 -0.128172 0.258245 27O 2dx2y2 -0.096922 -0.080263 0.139636 -0.527263 -0.294061 0.322945 27O 2dxy 0.247963 0.537179 0.353306 -0.245791 -0.261969 0.431605 27O 1f0 -0.026794 -0.028421 -0.047704 0.113359 0.088948 -0.124300 27O 1f+1 -0.050433 -0.079258 -0.008604 -0.068212 -0.025048 0.007287 27O 1f-1 0.028989 0.048278 0.024834 -0.065884 -0.053765 0.101613 27O 1f+2 0.048041 0.076958 0.071148 -0.167070 -0.112532 0.186338 27O 1f-2 0.018429 0.030070 0.027863 0.105152 0.067805 -0.101022 27O 1f+3 -0.040739 -0.029280 0.030690 -0.262450 -0.163390 0.210147 27O 1f-3 0.077493 0.188748 0.100266 -0.170406 -0.136165 0.222306 28O 1s 0.004592 -0.002470 0.000771 0.005722 0.004481 0.005353 28O 2s 0.015742 -0.008386 0.001433 0.020236 0.016371 0.018846 28O 3s -0.228876 0.122269 0.003962 -0.279970 -0.234460 -0.259803 28O 4s 0.620892 -0.322014 -0.074133 0.815021 0.773643 0.763017 28O 5s 0.951791 -0.547631 -0.583385 0.575682 0.328814 0.469135 28O 1pz 0.094662 -0.056866 -0.042111 0.038491 0.014272 0.030388 28O 1px -0.017874 0.002964 -0.041927 -0.113287 -0.109844 -0.106231 28O 1py 0.052776 -0.028886 -0.040763 -0.019832 -0.034300 -0.023439 28O 2pz -0.524681 0.306738 0.272856 -0.141178 -0.036214 -0.091006 28O 2px 0.235760 -0.109356 0.058449 0.595498 0.589996 0.559028 28O 2py -0.226569 0.146770 0.187675 0.153364 0.203806 0.152691 28O 3pz -0.292563 0.131819 -0.148933 -0.295048 -0.368942 -0.301261 28O 3px 0.250197 -0.139781 0.045927 0.278865 0.283525 0.224414 28O 3py -0.059319 0.069498 -0.085841 -0.104868 -0.111428 -0.064224 28O 1dz2 -0.350892 0.164335 0.275640 0.000629 0.152518 0.086176 28O 1dxz 0.132487 -0.083267 0.033014 0.195585 0.143552 0.197485 28O 1dyz -0.237952 0.188173 0.216320 0.120627 0.183809 0.094448 28O 1dx2y2 0.151614 -0.118782 -0.247071 -0.138186 -0.151681 -0.106151 28O 1dxy 0.158483 -0.118587 -0.133841 0.053246 0.011680 0.063231 28O 2dz2 0.446527 -0.224801 -0.364132 -0.163683 -0.369610 -0.252016 28O 2dxz -0.293444 0.171960 0.015677 -0.298612 -0.217881 -0.282631 28O 2dyz 0.296053 -0.236935 -0.274052 -0.230372 -0.332438 -0.200877 28O 2dx2y2 -0.122540 0.108839 0.288112 0.341894 0.378804 0.303244 28O 2dxy -0.222945 0.173024 0.189739 0.032279 0.095179 0.016663 28O 1f0 -0.031232 0.024769 0.062784 0.163397 0.177874 0.150818 28O 1f+1 0.194265 -0.103816 -0.121287 -0.086933 -0.158590 -0.111884 28O 1f-1 -0.011245 0.017775 0.015036 0.094818 0.115599 0.085266 28O 1f+2 -0.051310 0.028458 -0.032076 -0.147968 -0.153211 -0.148818 28O 1f-2 0.109131 -0.087786 -0.083773 -0.138286 -0.171212 -0.132452 28O 1f+3 0.051971 -0.041581 -0.087283 -0.146505 -0.164116 -0.139049 28O 1f-3 0.078019 -0.064008 -0.069949 -0.018871 -0.034537 -0.009335 29O 1s -0.000643 -0.000173 0.001507 -0.000054 0.000484 0.000842 29O 2s -0.001965 -0.000460 0.003606 0.000070 0.001911 0.003166 29O 3s 0.025427 0.004972 -0.029273 -0.005362 -0.033841 -0.056437 29O 4s -0.069172 -0.011473 0.094533 0.007928 0.070139 0.134357 29O 5s 0.093290 0.021115 -0.343033 0.066767 0.128631 0.088558 29O 1pz -0.006036 0.012955 -0.006713 0.021205 0.007009 0.014593 29O 1px 0.003757 0.005293 0.016340 0.003629 -0.007355 -0.002776 29O 1py -0.000748 -0.000868 -0.010504 0.001400 0.012245 0.010457 29O 2pz 0.028799 -0.065738 0.029483 -0.109219 -0.036332 -0.075718 29O 2px -0.005777 -0.026374 -0.076884 -0.019853 0.030946 0.026515 29O 2py 0.010872 0.007117 0.054033 -0.008710 -0.059204 -0.065205 29O 3pz -0.005665 0.034679 -0.045275 -0.016108 0.009161 -0.008700 29O 3px -0.017039 0.011220 0.132011 -0.028498 -0.045759 0.003525 29O 3py -0.027991 -0.008541 0.034001 -0.002785 0.023348 -0.051591 29O 1dz2 0.021599 -0.035913 0.010245 -0.020845 -0.020922 -0.033530 29O 1dxz -0.017771 0.045330 0.007269 0.001991 -0.021412 -0.008102 29O 1dyz 0.012932 0.003514 0.000264 -0.039806 -0.012159 -0.022394 29O 1dx2y2 -0.003676 0.026854 0.005114 0.001504 0.023633 0.002709 29O 1dxy -0.041669 -0.020597 -0.003441 -0.013469 0.012883 -0.009985 29O 2dz2 -0.028010 0.046250 -0.026045 0.048458 0.041290 0.069359 29O 2dxz 0.018223 -0.054382 -0.021238 -0.017384 0.029245 0.015092 29O 2dyz -0.018473 0.017512 -0.001602 0.077391 0.021372 0.043099 29O 2dx2y2 0.004800 -0.028849 0.001110 -0.008552 -0.027207 -0.010252 29O 2dxy 0.034893 0.027212 0.018859 0.024462 -0.022891 -0.001075 29O 1f0 0.009119 -0.001473 0.011929 -0.004909 -0.015305 -0.021871 29O 1f+1 -0.002679 -0.001516 -0.002799 -0.001585 0.002741 0.006748 29O 1f-1 0.010507 -0.016604 0.018961 -0.025327 -0.022914 -0.037008 29O 1f+2 -0.006797 0.002496 -0.001767 0.012466 0.004762 0.014920 29O 1f-2 -0.001206 0.026312 0.015095 0.017840 -0.012273 -0.005742 29O 1f+3 -0.001131 -0.006871 -0.002456 -0.007089 -0.000980 0.003619 29O 1f-3 0.009737 -0.010413 -0.002779 -0.009470 0.001051 -0.000534 30O 1s -0.002448 -0.004248 0.001124 0.003092 0.003534 -0.005998 30O 2s -0.008264 -0.014449 0.002388 0.011707 0.012728 -0.021146 30O 3s 0.119058 0.208623 -0.005257 -0.174168 -0.180885 0.290668 30O 4s -0.301629 -0.565555 -0.065501 0.657264 0.563263 -0.849153 30O 5s -0.553311 -0.823137 -0.605975 -0.027314 0.351861 -0.536521 30O 1pz -0.032850 -0.058093 -0.019153 0.001657 0.019629 -0.036172 30O 1px -0.006047 -0.006131 -0.051532 -0.093645 -0.078051 0.123518 30O 1py 0.057513 0.086050 0.043899 0.020927 -0.008623 0.018883 30O 2pz 0.209174 0.326114 0.159749 -0.002639 -0.092388 0.132907 30O 2px -0.047553 -0.114313 0.100582 0.524476 0.429419 -0.651520 30O 2py -0.292336 -0.458355 -0.268120 -0.148332 0.021629 -0.030714 30O 3pz 0.138387 0.160991 -0.138173 -0.143563 -0.214336 0.277349 30O 3px -0.118483 -0.170081 0.014929 0.077560 0.208542 -0.241568 30O 3py -0.102572 -0.214018 0.184502 0.239485 0.258396 -0.290010 30O 1dz2 0.091973 0.056940 0.101516 -0.036864 0.014054 -0.042089 30O 1dxz 0.002751 0.013054 0.119771 0.093696 0.094652 -0.173136 30O 1dyz -0.220257 -0.289752 -0.186968 -0.183019 -0.043823 0.060871 30O 1dx2y2 -0.198270 -0.380652 -0.365172 -0.215001 -0.099695 0.107164 30O 1dxy 0.035246 0.080509 -0.047645 -0.132084 -0.117320 0.218659 30O 2dz2 -0.112042 -0.064124 -0.126346 -0.056583 -0.080673 0.141559 30O 2dxz 0.049561 0.059934 -0.111268 -0.186549 -0.185024 0.299795 30O 2dyz 0.308158 0.412500 0.260704 0.336067 0.110771 -0.151597 30O 2dx2y2 0.257045 0.452070 0.454277 0.519684 0.295470 -0.388730 30O 2dxy -0.100286 -0.197354 0.009287 0.152384 0.170935 -0.294680 30O 1f0 -0.006629 -0.016308 0.027523 0.024952 0.026050 -0.055145 30O 1f+1 -0.062040 -0.058257 -0.055751 -0.040418 -0.025759 0.040480 30O 1f-1 -0.035580 -0.039267 -0.028125 -0.103928 -0.058236 0.078870 30O 1f+2 -0.058072 -0.084163 -0.092109 -0.243071 -0.161218 0.227231 30O 1f-2 0.096420 0.131704 0.041860 0.079876 0.006255 -0.014583 30O 1f+3 -0.105677 -0.180322 -0.133390 -0.208661 -0.099555 0.142991 30O 1f-3 -0.020732 -0.003074 -0.046449 -0.192503 -0.140592 0.218336 31O 1s 0.002422 0.004246 0.001135 0.002384 -0.004863 -0.005005 31O 2s 0.008187 0.014439 0.002421 0.009149 -0.017563 -0.017550 31O 3s -0.118187 -0.208431 -0.005602 -0.137758 0.249843 0.239784 31O 4s 0.301017 0.565249 -0.065069 0.546367 -0.792848 -0.677339 31O 5s 0.549843 0.819594 -0.603568 -0.107753 -0.411965 -0.494466 31O 1pz -0.032652 -0.058049 0.019121 0.002264 0.024556 0.031846 31O 1px -0.006606 -0.006278 0.051862 0.077990 -0.110750 -0.099215 31O 1py 0.057401 0.085987 -0.043976 -0.022752 -0.007054 -0.018736 31O 2pz 0.208587 0.325784 -0.159852 -0.015842 -0.109720 -0.115590 31O 2px -0.045773 -0.113423 -0.101714 -0.438429 0.607998 0.519263 31O 2py -0.291935 -0.457987 0.268694 0.153107 -0.002403 0.040609 31O 3pz 0.135642 0.160503 0.139766 0.100407 -0.274088 -0.225703 31O 3px -0.115779 -0.168793 -0.016590 -0.032451 0.250898 0.207643 31O 3py -0.099775 -0.213763 -0.186100 -0.187729 0.336457 0.222464 31O 1dz2 -0.092854 -0.056871 0.101761 -0.040129 -0.012086 -0.042326 31O 1dxz -0.004476 -0.013328 0.120704 0.074094 -0.133738 -0.146183 31O 1dyz 0.220475 0.289888 -0.187516 -0.176474 0.085537 0.029769 31O 1dx2y2 0.200236 0.381024 -0.366653 -0.195815 0.151784 0.068592 31O 1dxy -0.034240 -0.080325 -0.048187 -0.107916 0.169354 0.182690 31O 2dz2 0.113076 0.064245 -0.126750 -0.039971 0.108327 0.120129 31O 2dxz -0.047401 -0.059385 -0.112393 -0.148807 0.257047 0.247460 31O 2dyz -0.308101 -0.412714 0.261474 0.317150 -0.192177 -0.090794 31O 2dx2y2 -0.259286 -0.452840 0.456243 0.462096 -0.439124 -0.282198 31O 2dxy 0.098877 0.196971 0.009847 0.117151 -0.235896 -0.247110 31O 1f0 -0.005966 -0.016110 -0.027773 -0.019517 0.037607 0.047360 31O 1f+1 -0.062169 -0.058277 0.055854 0.035214 -0.038119 -0.031529 31O 1f-1 -0.035526 -0.039412 0.028269 0.092486 -0.087329 -0.058136 31O 1f+2 -0.058372 -0.084495 0.092624 0.211116 -0.234544 -0.173516 31O 1f-2 0.095950 0.131680 -0.041889 -0.079061 0.023356 0.005009 31O 1f+3 -0.105977 -0.180533 0.133906 0.189092 -0.156241 -0.104387 31O 1f-3 -0.021107 -0.003332 0.046753 0.164365 -0.203549 -0.172405 32O 1s 0.000640 0.000174 0.001516 -0.000084 -0.000341 0.000911 32O 2s 0.001957 0.000449 0.003646 -0.000065 -0.001428 0.003421 32O 3s -0.025359 -0.004545 -0.030052 -0.002863 0.026108 -0.060635 32O 4s 0.068816 0.010714 0.096260 0.003608 -0.051034 0.142797 32O 5s -0.091599 -0.024878 -0.340516 0.048796 -0.126275 0.103294 32O 1pz -0.005887 0.013183 0.006569 -0.018719 0.008865 -0.010948 32O 1px 0.003790 0.005159 -0.016236 -0.003927 -0.006150 0.005585 32O 1py -0.000886 -0.000367 0.010293 -0.000307 0.010845 -0.012669 32O 2pz 0.027711 -0.067167 -0.028760 0.095738 -0.045942 0.052869 32O 2px -0.006270 -0.025617 0.076173 0.019024 0.022981 -0.040631 32O 2py 0.011627 0.004549 -0.052761 0.004962 -0.051006 0.075775 32O 3pz -0.006955 0.034058 0.044683 0.015395 0.005725 -0.002744 32O 3px -0.017172 0.010581 -0.132068 0.018392 -0.051262 0.000304 32O 3py -0.027701 -0.008882 -0.033271 0.010462 0.029188 0.046328 32O 1dz2 -0.021562 0.036430 0.010068 -0.016392 0.019541 -0.031875 32O 1dxz 0.017962 -0.045207 0.006902 0.004354 0.018966 -0.014387 32O 1dyz -0.012201 -0.002793 0.001316 -0.035087 0.017336 -0.015759 32O 1dx2y2 0.003686 -0.027026 0.005358 -0.002546 -0.023053 0.005543 32O 1dxy 0.042150 0.020120 -0.002884 -0.013746 -0.011121 -0.003757 32O 2dz2 0.027491 -0.046486 -0.025787 0.038492 -0.039514 0.063568 32O 2dxz -0.018312 0.054594 -0.020538 -0.018976 -0.022322 0.027842 32O 2dyz 0.017508 -0.019028 -0.003539 0.068587 -0.031791 0.028378 32O 2dx2y2 -0.004938 0.029714 0.000726 -0.004476 0.027135 -0.011993 32O 2dxy -0.035722 -0.026128 0.017577 0.023306 0.017107 -0.012758 32O 1f0 0.008553 -0.000851 -0.010637 0.002277 -0.011783 0.021039 32O 1f+1 -0.002977 -0.002274 0.003330 0.001447 0.001890 -0.009526 32O 1f-1 0.010722 -0.017088 -0.019222 0.021232 -0.022745 0.036101 32O 1f+2 -0.006683 0.002595 0.002646 -0.011681 0.005950 -0.014233 32O 1f-2 -0.001423 0.026498 -0.014343 -0.017361 -0.007127 0.012968 32O 1f+3 -0.001531 -0.005911 0.001785 0.004744 -0.003057 -0.005241 32O 1f-3 0.009806 -0.010339 0.002486 0.008698 -0.001061 -0.002111 33O 1s -0.004586 0.002462 0.000783 0.004726 -0.004710 0.005701 33O 2s -0.015724 0.008364 0.001478 0.016605 -0.017182 0.020117 33O 3s 0.228724 -0.122008 0.003408 -0.228105 0.245747 -0.277891 33O 4s -0.621326 0.321942 -0.072884 0.642823 -0.804357 0.812555 33O 5s -0.953285 0.543173 -0.582931 0.509390 -0.365921 0.531422 33O 1pz 0.094662 -0.056488 0.042112 -0.035283 0.017090 -0.032304 33O 1px -0.017582 0.003263 0.042283 0.089062 -0.113725 0.114815 33O 1py 0.053246 -0.028749 0.041112 0.012180 -0.033788 0.025393 33O 2pz -0.525179 0.304580 -0.273188 0.133280 -0.050507 0.098784 33O 2px 0.235003 -0.110384 -0.059838 -0.465394 0.610768 -0.602981 33O 2py -0.228893 0.146084 -0.189474 -0.107485 0.205922 -0.164008 33O 3pz -0.291565 0.132034 0.149227 0.214997 -0.371127 0.334831 33O 3px 0.250406 -0.139241 -0.047048 -0.220618 0.297519 -0.265233 33O 3py -0.060029 0.070326 0.085988 0.079220 -0.119496 0.069675 33O 1dz2 0.351545 -0.161927 0.276129 -0.031719 -0.135878 0.094128 33O 1dxz -0.131941 0.083050 0.033234 0.164395 -0.148542 0.212166 33O 1dyz 0.239979 -0.186774 0.217720 0.077648 -0.188608 0.100121 33O 1dx2y2 -0.153075 0.117773 -0.248387 -0.105176 0.158865 -0.121680 33O 1dxy -0.159645 0.118345 -0.134447 0.050585 -0.013326 0.062186 33O 2dz2 -0.447530 0.221231 -0.365215 -0.082768 0.354909 -0.271666 33O 2dxz 0.292887 -0.171350 0.015433 -0.251126 0.228522 -0.305134 33O 2dyz -0.298934 0.235115 -0.276161 -0.154068 0.339666 -0.214190 33O 2dx2y2 0.124635 -0.107361 0.290211 0.258866 -0.391738 0.334614 33O 2dxy 0.225021 -0.172518 0.191001 0.010938 -0.095988 0.023630 33O 1f0 -0.031441 0.023928 -0.063224 -0.123351 0.182439 -0.161978 33O 1f+1 0.194765 -0.102500 0.121954 0.052190 -0.155416 0.120535 33O 1f-1 -0.011632 0.017580 -0.015482 -0.069355 0.119024 -0.093106 33O 1f+2 -0.050759 0.028521 0.032628 0.114556 -0.156522 0.161064 33O 1f-2 0.110434 -0.087199 0.084693 0.099876 -0.174965 0.141589 33O 1f+3 0.052920 -0.041103 0.088216 0.110393 -0.168708 0.150807 33O 1f-3 0.078704 -0.063777 0.070309 0.011018 -0.035734 0.011874 34O 1s 0.003208 0.005137 0.000098 -0.005464 0.003767 0.001807 34O 2s 0.011108 0.017686 -0.001097 -0.019025 0.013813 0.006895 34O 3s -0.159089 -0.253404 0.040552 0.251374 -0.187685 -0.098688 34O 4s 0.438121 0.663739 -0.190814 -0.675272 0.567402 0.381769 34O 5s 0.542625 1.077458 -0.611844 -0.407013 0.229091 -0.216778 34O 1pz -0.014399 -0.036519 0.033654 -0.044965 0.053663 0.041952 34O 1px -0.048814 -0.080673 0.002790 0.110073 -0.090024 -0.038609 34O 1py 0.041872 0.074866 -0.051107 0.029591 -0.048866 -0.048367 34O 2pz 0.056104 0.122783 -0.121618 0.253427 -0.295112 -0.243599 34O 2px 0.324626 0.535483 -0.170228 -0.478904 0.394072 0.173153 34O 2py -0.173543 -0.345153 0.229794 -0.228401 0.304992 0.281715 34O 3pz 0.042121 -0.004063 0.040166 -0.017547 0.042159 0.090942 34O 3px 0.222065 0.405312 0.062672 -0.363657 0.400085 0.125701 34O 3py -0.063124 -0.137186 -0.089744 0.184575 -0.181228 -0.120694 34O 1dz2 0.027031 0.123554 0.005909 -0.058168 0.040171 0.008824 34O 1dxz -0.164818 -0.217227 0.229434 -0.064122 0.146153 0.140577 34O 1dyz 0.046393 0.060344 -0.047438 0.116602 -0.146827 -0.168374 34O 1dx2y2 -0.010324 0.044537 -0.165407 0.274654 -0.244911 -0.121144 34O 1dxy 0.200284 0.405462 -0.278424 0.022068 -0.132549 -0.141923 34O 2dz2 -0.084533 -0.219123 0.027190 0.105338 -0.066059 -0.003685 34O 2dxz 0.176941 0.238966 -0.265163 0.239686 -0.352881 -0.306718 34O 2dyz -0.043854 -0.056217 0.049085 -0.152281 0.193906 0.205867 34O 2dx2y2 0.094407 0.080442 0.139561 -0.465796 0.432369 0.232818 34O 2dxy -0.249744 -0.536973 0.354068 -0.198118 0.362439 0.340312 34O 1f0 -0.027099 -0.028166 0.047675 -0.095679 0.125529 0.096274 34O 1f+1 -0.050118 -0.079317 0.008767 0.062228 -0.038338 -0.000598 34O 1f-1 0.029151 0.048189 -0.024823 0.055611 -0.079104 -0.082398 34O 1f+2 0.048803 0.076791 -0.071240 0.144957 -0.167482 -0.146917 34O 1f-2 0.018506 0.030270 -0.028119 -0.091754 0.099857 0.077313 34O 1f+3 -0.039974 -0.029493 -0.030490 0.229407 -0.238491 -0.157781 34O 1f-3 0.078001 0.188561 -0.100414 0.144294 -0.196002 -0.175442 35O 1s -0.004580 0.002879 -0.000013 -0.001478 0.003957 -0.002854 35O 2s -0.015809 0.009923 -0.001638 -0.005553 0.014408 -0.010480 35O 3s 0.227526 -0.143249 0.049048 0.077886 -0.194994 0.144843 35O 4s -0.608202 0.405983 -0.208967 -0.316386 0.610586 -0.502981 35O 5s -0.950206 0.444003 -0.724441 0.291084 0.143917 0.144809 35O 1pz 0.069678 -0.039481 0.052761 -0.055839 0.063317 -0.065112 35O 1px 0.052315 -0.031839 0.001255 0.039008 -0.096834 0.068814 35O 1py 0.064340 -0.031484 0.032630 -0.018968 0.002910 -0.015654 35O 2pz -0.300984 0.154174 -0.218539 0.312202 -0.377150 0.388268 35O 2px -0.402333 0.240860 -0.163496 -0.174158 0.446097 -0.312847 35O 2py -0.331630 0.187156 -0.193582 0.135009 -0.069419 0.114982 35O 3pz -0.085065 0.029051 0.131602 -0.125053 0.174353 -0.189558 35O 3px -0.299431 0.139808 0.042838 -0.085680 0.329535 -0.209015 35O 3py -0.141740 0.113812 0.083805 -0.136699 0.226982 -0.160806 35O 1dz2 0.048226 0.013187 0.092402 -0.095125 0.176795 -0.196114 35O 1dxz 0.366098 -0.170346 0.288584 -0.114686 0.103222 -0.147176 35O 1dyz 0.210770 -0.125866 0.160307 -0.212635 0.207149 -0.216665 35O 1dx2y2 -0.098494 0.108919 -0.187304 0.140821 -0.187581 0.127306 35O 1dxy 0.192547 -0.118680 0.078097 -0.059672 -0.012136 -0.019982 35O 2dz2 0.025450 -0.058547 -0.065965 0.147678 -0.285992 0.278414 35O 2dxz -0.464001 0.207433 -0.349315 0.305035 -0.357217 0.392895 35O 2dyz -0.253281 0.140275 -0.188561 0.323790 -0.359650 0.361158 35O 2dx2y2 0.033393 -0.073632 0.174443 -0.260900 0.396115 -0.297390 35O 2dxy -0.318664 0.198620 -0.139913 0.127489 -0.032244 0.078354 35O 1f0 0.118228 -0.041012 0.071631 -0.129533 0.170457 -0.184673 35O 1f+1 0.036030 -0.026367 0.004234 0.106353 -0.179155 0.150395 35O 1f-1 0.056612 -0.039100 0.020450 -0.017988 -0.012749 -0.008409 35O 1f+2 -0.118138 0.060424 -0.084290 0.095923 -0.100442 0.106714 35O 1f-2 -0.085323 0.035532 -0.040941 0.171560 -0.225729 0.216310 35O 1f+3 -0.043899 0.041307 -0.058730 0.139827 -0.197107 0.169306 35O 1f-3 0.091980 -0.060996 0.020711 -0.015155 -0.032486 0.012134 738 739 740 741 742 743 7.23406 7.23814 14.12193 14.15387 14.20887 14.22142 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s -0.000080 -0.000106 0.000014 0.000008 -0.000137 0.000026 0Rh 2s -0.000431 0.000963 0.000166 -0.000122 -0.000139 0.000040 0Rh 3s -0.000739 -0.000086 0.000181 -0.000016 -0.000951 0.000189 0Rh 4s 0.002120 -0.006364 -0.000794 0.000809 -0.001106 0.000118 0Rh 5s -0.007859 0.019644 0.001747 -0.002190 0.007620 -0.001069 0Rh 6s 0.019078 -0.029142 -0.002752 0.002546 -0.012979 0.001459 0Rh 7s -0.054800 0.058679 0.011551 -0.002539 0.083153 -0.011160 0Rh 8s -0.053506 -0.005324 -0.004341 0.013277 -0.107451 0.018921 0Rh 1pz -0.000836 -0.007764 0.000008 0.000064 0.000088 -0.000817 0Rh 1px -0.000357 -0.001403 -0.000010 0.000045 -0.000169 -0.000235 0Rh 1py -0.001579 -0.004073 0.000025 -0.000155 0.000818 0.000055 0Rh 2pz 0.003592 0.033571 -0.000037 -0.000293 -0.000388 0.003604 0Rh 2px 0.001552 0.006079 0.000052 -0.000202 0.000771 0.001029 0Rh 2py 0.006757 0.017633 -0.000109 0.000700 -0.003602 -0.000247 0Rh 3pz -0.013360 -0.129543 0.000165 0.001374 0.001613 -0.013626 0Rh 3px -0.006197 -0.023709 -0.000376 0.000830 -0.003625 -0.003651 0Rh 3py -0.024690 -0.068467 0.000517 -0.003246 0.013318 0.001021 0Rh 4pz 0.020672 0.214274 -0.000305 -0.002847 -0.002580 0.015885 0Rh 4px 0.010832 0.039935 0.001261 -0.001411 0.007378 0.003122 0Rh 4py 0.037730 0.114255 -0.001203 0.006777 -0.014153 -0.001540 0Rh 5pz -0.012457 -0.159411 0.000117 0.003077 -0.000025 0.024755 0Rh 5px -0.007879 -0.031928 -0.003002 0.001659 -0.006348 0.011940 0Rh 5py -0.026519 -0.085199 0.002409 -0.008563 -0.029043 -0.000392 0Rh 6pz -0.012962 -0.143640 0.005042 0.004661 0.035212 -0.489856 0Rh 6px -0.040801 0.013071 0.016802 -0.017079 -0.043800 -0.173160 0Rh 6py 0.055039 -0.151037 -0.025857 0.032696 0.470208 0.030485 0Rh 1dz2 0.009801 -0.002473 -0.464288 0.457923 0.037684 -0.330677 0Rh 1dxz -0.001143 0.000091 -0.222622 0.223884 -0.083910 0.522374 0Rh 1dyz 0.026071 -0.006746 0.238569 -0.236509 0.190601 0.129174 0Rh 1dx2y2 0.005316 -0.001574 -0.343243 0.353939 0.184644 0.198457 0Rh 1dxy 0.011263 -0.004393 -0.028187 0.018474 -0.600169 0.016919 0Rh 2dz2 -0.008624 0.004506 0.961797 -0.950603 -0.078570 0.688892 0Rh 2dxz 0.001241 -0.000601 0.461381 -0.464958 0.174864 -1.088943 0Rh 2dyz -0.022768 0.011507 -0.494308 0.491054 -0.396959 -0.269153 0Rh 2dx2y2 -0.004656 0.002235 0.711172 -0.734790 -0.384374 -0.413374 0Rh 2dxy -0.009575 0.005497 0.058456 -0.038421 1.250062 -0.035352 0Rh 3dz2 -0.014585 -0.008630 -0.876806 0.872225 0.072843 -0.639047 0Rh 3dxz 0.000339 0.002541 -0.420912 0.426867 -0.161984 1.011238 0Rh 3dyz -0.039814 -0.019560 0.450943 -0.450827 0.367930 0.249808 0Rh 3dx2y2 -0.008062 -0.002172 -0.648702 0.674271 0.355932 0.383424 0Rh 3dxy -0.018645 -0.002014 -0.053441 0.035440 -1.158669 0.032718 0Rh 4dz2 0.003070 0.046147 0.478832 -0.488135 -0.042404 0.372591 0Rh 4dxz 0.005952 -0.009258 0.230437 -0.239065 0.093993 -0.591597 0Rh 4dyz 0.012948 0.112191 -0.247114 0.252979 -0.213622 -0.145807 0Rh 4dx2y2 0.002604 0.016752 0.355145 -0.377032 -0.206308 -0.223449 0Rh 4dxy 0.011544 0.030594 0.029387 -0.020389 0.673266 -0.018886 0Rh 5dz2 0.169514 -0.215108 -0.217989 0.244003 0.024693 -0.228075 0Rh 5dxz -0.046493 0.027297 -0.107106 0.118738 -0.058395 0.370156 0Rh 5dyz 0.431454 -0.545105 0.115755 -0.129230 0.128048 0.095285 0Rh 5dx2y2 0.087568 -0.091567 -0.163275 0.186976 0.128261 0.138613 0Rh 5dxy 0.166697 -0.197954 -0.012178 0.012006 -0.411691 0.012364 0Rh 1f0 -0.000482 -0.003257 0.001156 0.002100 0.002026 0.006236 0Rh 1f+1 0.000567 -0.005392 -0.001429 -0.002136 -0.000535 0.010342 0Rh 1f-1 -0.003095 -0.023025 -0.000820 -0.001188 0.000514 -0.001075 0Rh 1f+2 0.000758 0.013953 -0.000662 -0.000684 0.003773 -0.003723 0Rh 1f-2 -0.000323 -0.003921 0.000661 0.001729 -0.003806 -0.003644 0Rh 1f+3 0.000074 -0.004739 0.001368 0.002623 0.004918 0.002578 0Rh 1f-3 -0.001321 -0.003525 0.000495 0.001088 -0.011290 0.001591 1Rh 1s 0.000083 -0.000111 0.000014 -0.000008 -0.000136 0.000022 1Rh 2s 0.000375 0.000978 0.000166 0.000122 -0.000138 0.000035 1Rh 3s 0.000728 -0.000109 0.000179 0.000018 -0.000947 0.000160 1Rh 4s -0.001758 -0.006487 -0.000795 -0.000805 -0.001105 0.000094 1Rh 5s 0.006651 0.019994 0.001757 0.002170 0.007613 -0.000899 1Rh 6s -0.016822 -0.029470 -0.002766 -0.002508 -0.013000 0.001271 1Rh 7s 0.044979 0.059017 0.011678 0.002419 0.083591 -0.010278 1Rh 8s 0.054674 -0.009341 -0.004165 -0.013378 -0.108134 0.012485 1Rh 1pz -0.001849 0.007722 -0.000015 0.000058 -0.000110 0.000807 1Rh 1px -0.000416 0.001372 0.000008 0.000043 0.000159 0.000225 1Rh 1py -0.003801 0.004206 -0.000025 -0.000156 -0.000805 -0.000015 1Rh 2pz 0.007977 -0.033389 0.000067 -0.000266 0.000490 -0.003561 1Rh 2px 0.001804 -0.005946 -0.000042 -0.000193 -0.000724 -0.000982 1Rh 2py 0.016366 -0.018202 0.000109 0.000707 0.003547 0.000068 1Rh 3pz -0.030372 0.128906 -0.000298 0.001261 -0.002087 0.013431 1Rh 3px -0.007074 0.023246 0.000334 0.000790 0.003411 0.003410 1Rh 3py -0.061817 0.070597 -0.000516 -0.003274 -0.013064 -0.000175 1Rh 4pz 0.049026 -0.213340 0.000552 -0.002658 0.003571 -0.015511 1Rh 4px 0.012176 -0.039302 -0.001182 -0.001337 -0.006943 -0.002557 1Rh 4py 0.099307 -0.117594 0.001193 0.006822 0.013630 -0.000245 1Rh 5pz -0.033554 0.158683 -0.000360 0.003002 -0.001145 -0.025151 1Rh 5px -0.009503 0.031616 0.002917 0.001595 0.005830 -0.012673 1Rh 5py -0.072577 0.087366 -0.002375 -0.008555 0.029638 0.002471 1Rh 6pz -0.043299 0.146693 -0.004676 0.003354 -0.032969 0.490937 1Rh 6px -0.033003 -0.011663 -0.016376 -0.017051 0.045769 0.173069 1Rh 6py 0.005262 0.152782 0.025152 0.031197 -0.471221 -0.031411 1Rh 1dz2 -0.010277 -0.002256 -0.464560 -0.456422 0.035688 -0.332664 1Rh 1dxz 0.001408 0.000094 -0.223348 -0.225512 -0.080354 0.523311 1Rh 1dyz -0.026796 -0.006171 0.238518 0.235904 0.191642 0.133648 1Rh 1dx2y2 -0.005405 -0.001517 -0.343690 -0.353978 0.187494 0.199891 1Rh 1dxy -0.011040 -0.004103 -0.028449 -0.019385 -0.602076 0.006328 1Rh 2dz2 0.009103 0.004312 0.962365 0.947491 -0.074418 0.693036 1Rh 2dxz -0.001376 -0.000595 0.462887 0.468338 0.167461 -1.090895 1Rh 2dyz 0.023682 0.011000 -0.494203 -0.489800 -0.399127 -0.278475 1Rh 2dx2y2 0.004744 0.002166 0.712100 0.734872 -0.390304 -0.416362 1Rh 2dxy 0.009664 0.005259 0.059000 0.040312 1.254035 -0.013288 1Rh 3dz2 0.015001 -0.008940 -0.877333 -0.869382 0.069017 -0.642902 1Rh 3dxz -0.001274 0.002482 -0.422289 -0.429969 -0.155144 1.013043 1Rh 3dyz 0.039442 -0.020416 0.450852 0.449680 0.369937 0.258448 1Rh 3dx2y2 0.008142 -0.002143 -0.649554 -0.674351 0.361412 0.386195 1Rh 3dxy 0.016788 -0.002545 -0.053939 -0.037176 -1.162353 0.012282 1Rh 4dz2 -0.002327 0.046166 0.479136 0.486566 -0.040274 0.374831 1Rh 4dxz -0.003695 -0.008962 0.231195 0.240807 0.090137 -0.592606 1Rh 4dyz -0.007766 0.112392 -0.247078 -0.252347 -0.214761 -0.150744 1Rh 4dx2y2 -0.002376 0.016249 0.355624 0.377084 -0.209407 -0.225014 1Rh 4dxy -0.005530 0.031144 0.029664 0.021368 0.675360 -0.007269 1Rh 5dz2 -0.180921 -0.211261 -0.218091 -0.243193 0.023759 -0.229124 1Rh 5dxz 0.043983 0.025706 -0.107491 -0.119714 -0.056727 0.370694 1Rh 5dyz -0.464172 -0.535252 0.115873 0.128938 0.128510 0.097747 1Rh 5dx2y2 -0.091052 -0.088265 -0.163516 -0.187033 0.129777 0.139075 1Rh 5dxy -0.183716 -0.194713 -0.012269 -0.012555 -0.412634 0.006801 1Rh 1f0 -0.002961 0.003423 -0.001150 0.002117 -0.001997 -0.006219 1Rh 1f+1 -0.000597 0.005421 0.001437 -0.002103 0.000563 -0.010306 1Rh 1f-1 -0.008833 0.023293 0.000814 -0.001199 -0.000504 0.001091 1Rh 1f+2 0.001700 -0.013896 0.000654 -0.000709 -0.003783 0.003774 1Rh 1f-2 -0.003988 0.004125 -0.000661 0.001716 0.003757 0.003627 1Rh 1f+3 0.001160 0.004651 -0.001363 0.002629 -0.004899 -0.002487 1Rh 1f-3 -0.002904 0.003618 -0.000498 0.001107 0.011280 -0.001642 2C 1s 0.000426 0.004426 0.000596 0.000016 0.000210 -0.000083 2C 2s 0.000256 0.004712 -0.000266 -0.000007 -0.000123 0.000064 2C 3s 0.032925 -0.002716 -0.008624 -0.000905 0.001295 -0.003698 2C 4s -0.103029 -0.414079 0.040389 0.004699 -0.015409 0.028897 2C 5s 0.108763 0.502792 -0.077161 0.013476 -0.054435 0.105416 2C 1pz -0.011422 -0.026783 0.002365 -0.001408 0.000404 -0.001323 2C 1px 0.046952 0.021088 0.001901 0.000101 -0.000704 0.000949 2C 1py 0.010543 -0.009339 -0.005033 0.001784 0.001158 0.000299 2C 2pz 0.123978 -0.157457 -0.006574 0.013618 -0.020917 0.028982 2C 2px -0.349535 -0.261297 -0.011145 -0.001707 0.016739 -0.021698 2C 2py -0.055340 -0.155408 0.044710 -0.016392 -0.018103 0.002041 2C 3pz 0.024299 0.101660 -0.009565 -0.018394 -0.002540 0.000877 2C 3px -0.023899 0.077941 -0.001649 0.012953 -0.029188 0.047561 2C 3py 0.008840 0.058504 -0.000437 0.030724 0.007527 0.029708 2C 1dz2 -0.028001 -0.031024 0.002601 -0.000001 -0.001987 0.001786 2C 1dxz 0.048447 0.023353 0.001842 -0.000825 0.000845 -0.001575 2C 1dyz -0.005742 -0.021625 -0.000798 -0.000292 -0.000253 0.000179 2C 1dx2y2 -0.001626 0.011516 0.001773 -0.001301 0.001429 -0.001814 2C 1dxy 0.036275 0.021722 -0.000507 0.001037 0.001114 -0.001513 2C 2dz2 0.083671 -0.022289 -0.018610 -0.001590 -0.005504 0.002880 2C 2dxz -0.060116 -0.020817 -0.005290 -0.000186 -0.004028 0.001496 2C 2dyz -0.038982 -0.113656 0.018419 0.000862 -0.003412 0.001620 2C 2dx2y2 -0.100307 -0.020559 -0.017708 -0.000432 0.002423 -0.006355 2C 2dxy -0.074300 -0.035840 -0.005004 0.003287 0.001962 0.002296 2C 1f0 -0.029072 -0.040181 -0.005272 -0.000870 -0.001642 0.000647 2C 1f+1 0.014409 -0.027471 -0.002307 0.000931 0.001575 -0.001053 2C 1f-1 -0.004176 -0.015157 0.001022 0.000609 -0.000940 0.001529 2C 1f+2 0.022259 0.051125 -0.004600 0.000304 0.000133 -0.000732 2C 1f-2 0.017727 0.013854 0.000243 -0.000542 0.001255 -0.002064 2C 1f+3 0.015610 0.015710 -0.000456 -0.001184 -0.000059 -0.001756 2C 1f-3 -0.011034 -0.041203 0.003171 -0.000165 0.000176 0.000176 3C 1s -0.000552 -0.004315 -0.000828 -0.000213 -0.000025 -0.000284 3C 2s -0.000497 -0.004767 0.000358 0.000140 0.000015 0.000150 3C 3s -0.020198 0.023827 0.014054 -0.003938 0.002789 0.003638 3C 4s 0.062121 0.377471 -0.068512 0.027802 -0.021195 -0.023724 3C 5s -0.119490 -0.396987 0.122444 -0.039387 0.019525 -0.043981 3C 1pz 0.019005 0.011968 0.005281 -0.000787 0.000276 -0.000451 3C 1px -0.057598 0.013045 0.000997 -0.001431 0.001590 0.000294 3C 1py -0.008915 -0.021040 0.002366 -0.000862 0.000052 -0.000608 3C 2pz -0.167173 0.111608 -0.050938 0.015537 -0.005619 0.004005 3C 2px 0.419208 0.070400 -0.015711 0.017239 -0.036310 -0.016625 3C 2py 0.111947 -0.261677 0.004839 -0.005107 0.011056 0.010023 3C 3pz -0.026648 0.001573 0.003938 -0.016005 -0.003203 -0.023060 3C 3px 0.014855 -0.065098 0.000192 -0.036225 0.055719 0.012199 3C 3py 0.021035 0.097750 -0.015810 -0.011479 0.004538 0.011295 3C 1dz2 0.023465 -0.001640 0.002036 0.000474 0.000868 0.000328 3C 1dxz -0.038843 0.014741 0.001053 -0.001142 0.000008 0.000082 3C 1dyz -0.032160 -0.014365 -0.000911 -0.000329 0.000217 0.000062 3C 1dx2y2 -0.034315 -0.013505 0.002775 -0.000643 -0.001076 -0.001366 3C 1dxy 0.059155 -0.015120 0.001028 -0.001209 0.003183 0.002107 3C 2dz2 -0.046703 0.005573 -0.023270 -0.001418 0.001107 0.000849 3C 2dxz -0.055055 0.033867 -0.013595 0.000079 0.001984 -0.001867 3C 2dyz 0.017458 -0.099264 0.019373 -0.003129 0.006099 0.002879 3C 2dx2y2 0.122976 -0.070025 -0.006078 -0.006725 0.003164 -0.000592 3C 2dxy -0.138069 -0.026014 0.006953 -0.000654 0.004800 0.002463 3C 1f0 0.005929 0.012099 -0.000338 -0.001214 0.000903 -0.000591 3C 1f+1 0.020010 0.025862 -0.003414 0.000670 -0.000658 -0.000284 3C 1f-1 -0.007388 -0.003622 0.005924 0.000837 -0.001148 -0.000352 3C 1f+2 -0.028207 -0.005401 0.002359 -0.000180 -0.002005 -0.001147 3C 1f-2 0.003216 -0.033605 0.003544 -0.001199 0.002005 0.001467 3C 1f+3 -0.034173 0.039294 -0.000506 -0.000445 -0.001300 -0.001982 3C 1f-3 -0.042628 -0.036881 -0.002617 -0.000679 -0.000897 -0.001033 4C 1s -0.000582 0.022059 -0.000034 -0.000097 -0.000237 -0.000560 4C 2s 0.000668 0.049100 -0.000026 0.000058 0.000183 0.000221 4C 3s -0.061123 -0.196159 0.002574 -0.000252 -0.003046 -0.007930 4C 4s 0.209902 -1.408928 -0.016913 0.004446 0.014735 0.068238 4C 5s -0.024220 -0.567434 0.042213 0.015042 0.091912 0.012672 4C 1pz 0.015220 -0.052134 -0.002357 0.000123 -0.000835 0.001552 4C 1px -0.057395 -0.080379 -0.000989 0.000177 0.005213 -0.006986 4C 1py -0.012889 -0.062100 0.001319 -0.000144 0.001216 -0.001575 4C 2pz 0.009725 -0.548321 0.026432 0.002931 -0.009973 0.028450 4C 2px -0.001893 -0.370949 0.011472 -0.005701 -0.008564 0.017292 4C 2py 0.010591 -0.462376 -0.002556 0.002144 -0.008128 0.023068 4C 3pz 0.074647 0.253197 0.019022 0.025522 -0.006115 0.126302 4C 3px -0.014061 -0.088804 0.016323 -0.009175 0.054961 -0.061611 4C 3py 0.043668 0.124771 -0.041943 0.004106 0.008390 0.049787 4C 1dz2 0.054007 0.131918 0.007319 -0.002118 0.001692 -0.003452 4C 1dxz -0.100013 0.035075 0.003390 0.002535 -0.004610 0.006251 4C 1dyz 0.001065 0.008280 -0.005070 0.002384 -0.000949 0.000864 4C 1dx2y2 -0.002561 -0.187767 0.006030 0.002399 0.000278 0.001389 4C 1dxy -0.073012 -0.140153 0.000481 -0.004907 -0.004871 0.004819 4C 2dz2 0.235010 0.420640 -0.038589 0.011737 0.004714 0.011122 4C 2dxz -0.532601 -0.049429 -0.018733 -0.016866 0.013065 -0.049132 4C 2dyz 0.012438 0.206129 0.016117 -0.013231 0.000948 -0.013917 4C 2dx2y2 0.054723 -0.362592 -0.020091 -0.011867 -0.017467 0.004295 4C 2dxy -0.338580 -0.315868 -0.001818 0.024126 0.043502 0.004212 4C 1f0 0.216189 0.126464 0.005110 0.004946 0.006815 0.001613 4C 1f+1 -0.220351 -0.163887 0.007611 -0.005652 -0.006345 -0.004691 4C 1f-1 0.046710 0.029463 0.000909 -0.002962 -0.005133 -0.000886 4C 1f+2 -0.148171 -0.071928 0.000322 -0.002275 -0.004958 0.002938 4C 1f-2 -0.250875 -0.169132 -0.006246 0.003556 0.003823 0.002778 4C 1f+3 -0.225010 -0.139679 0.006287 0.006650 0.003824 0.009706 4C 1f-3 -0.058099 -0.049185 -0.009792 0.002237 -0.000856 0.002587 5C 1s 0.000896 -0.023459 0.000072 -0.000362 -0.000113 0.000708 5C 2s 0.000635 -0.050898 0.000033 0.000162 0.000114 -0.000314 5C 3s 0.030061 0.170693 -0.007062 0.006411 -0.004821 0.010191 5C 4s -0.126459 1.579336 0.038568 -0.021103 0.024294 -0.073992 5C 5s 0.011899 0.539186 -0.054446 0.014147 0.051783 -0.070185 5C 1pz -0.028214 0.045784 -0.001094 -0.000255 0.002112 0.001878 5C 1px 0.089355 0.028071 0.000384 -0.000276 -0.005994 -0.005294 5C 1py 0.014372 -0.074205 -0.003132 0.000886 -0.001825 -0.001146 5C 2pz -0.051066 0.389723 -0.001344 0.009359 -0.004813 -0.018596 5C 2px 0.122152 0.246206 -0.011065 -0.000341 -0.006477 -0.005559 5C 2py 0.065126 -0.657058 0.039520 -0.015996 0.011070 0.028590 5C 3pz -0.070192 -0.104011 0.051196 -0.007791 0.047819 -0.030029 5C 3px 0.058255 -0.016116 0.018011 0.002793 -0.062477 -0.089882 5C 3py 0.103758 0.131896 0.008728 0.029585 -0.061613 0.073737 5C 1dz2 -0.046171 -0.099838 0.007666 -0.002704 -0.001372 -0.001161 5C 1dxz 0.074022 -0.125592 0.003905 0.005194 0.002316 0.003811 5C 1dyz 0.061960 -0.041638 -0.004912 -0.001071 0.004023 0.002426 5C 1dx2y2 0.078566 0.185427 0.005144 -0.000487 0.004323 0.002098 5C 1dxy -0.138964 0.076662 0.000471 0.003557 -0.005378 -0.003880 5C 2dz2 -0.197792 -0.132915 -0.033659 0.017128 -0.003033 0.029933 5C 2dxz 0.381046 -0.324760 -0.011066 -0.030772 0.007095 -0.024116 5C 2dyz 0.291352 0.075885 0.011098 0.009089 -0.027623 -0.004718 5C 2dx2y2 0.307941 0.447946 -0.034894 0.003827 -0.026888 -0.032120 5C 2dxy -0.627586 0.298381 -0.009941 -0.012284 0.037559 -0.005845 5C 1f0 -0.135337 0.012825 0.004899 0.005451 -0.007105 0.004888 5C 1f+1 0.065657 0.012664 0.010236 -0.004456 0.007086 -0.001178 5C 1f-1 0.138441 -0.007076 -0.000478 -0.003284 0.001878 -0.003672 5C 1f+2 0.337472 -0.023816 -0.005934 -0.003172 0.004991 -0.000547 5C 1f-2 -0.123448 -0.010441 0.000219 0.003072 0.001198 0.004281 5C 1f+3 0.353986 -0.004113 -0.002568 0.007053 -0.002190 0.011423 5C 1f-3 0.315963 -0.046580 0.009568 0.000666 0.000198 0.000790 6C 1s -0.002385 -0.023370 0.000072 0.000362 -0.000155 0.000603 6C 2s -0.003778 -0.050771 0.000033 -0.000162 0.000132 -0.000269 6C 3s -0.020595 0.172590 -0.006651 -0.006325 -0.003089 0.012689 6C 4s 0.225927 1.565590 0.036303 0.020701 0.016822 -0.082894 6C 5s 0.021635 0.540821 -0.054131 -0.013962 0.052581 -0.065349 6C 1pz -0.033657 -0.044926 0.001114 -0.000247 -0.002047 -0.001725 6C 1px 0.096820 -0.030143 -0.000388 -0.000299 0.006080 0.005418 6C 1py 0.020088 0.073597 0.003130 0.000877 0.001704 0.000851 6C 2pz -0.087833 -0.388168 0.001118 0.009183 0.004450 0.015858 6C 2px 0.132304 -0.250205 0.011564 0.000380 0.003463 0.001320 6C 2py 0.117502 0.655008 -0.039430 -0.015902 -0.009547 -0.023227 6C 3pz -0.073022 0.108327 -0.050547 -0.007248 -0.043964 0.034960 6C 3px 0.069729 0.014311 -0.017692 0.003195 0.063389 0.090218 6C 3py 0.106032 -0.138260 -0.009514 0.029045 0.056515 -0.081541 6C 1dz2 0.044611 -0.100491 0.007700 0.002713 -0.001384 -0.001154 6C 1dxz -0.088310 -0.123469 0.003918 -0.005218 0.002472 0.004035 6C 1dyz -0.069571 -0.040210 -0.004904 0.001064 0.003957 0.002150 6C 1dx2y2 -0.073910 0.186459 0.005117 0.000442 0.004212 0.001887 6C 1dxy 0.153208 0.073095 0.000476 -0.003534 -0.005567 -0.004146 6C 2dz2 0.204152 -0.135741 -0.033459 -0.017068 -0.002526 0.030387 6C 2dxz -0.427763 -0.314614 -0.011099 0.030912 0.007066 -0.025264 6C 2dyz -0.304089 0.082355 0.011260 -0.009114 -0.025516 -0.000726 6C 2dx2y2 -0.298733 0.451730 -0.035088 -0.003881 -0.025882 -0.029286 6C 2dxy 0.685685 0.283430 -0.009699 0.012461 0.037912 -0.004150 6C 1f0 -0.144764 -0.009680 -0.004869 0.005495 0.007008 -0.004880 6C 1f+1 0.069385 -0.014123 -0.010308 -0.004496 -0.007156 0.001048 6C 1f-1 0.148538 0.004130 0.000487 -0.003292 -0.001899 0.003643 6C 1f+2 0.361090 0.016443 0.005935 -0.003207 -0.004872 0.000684 6C 1f-2 -0.131456 0.013485 -0.000188 0.003081 -0.000913 -0.003885 6C 1f+3 0.376452 -0.003975 0.002503 0.007054 0.001998 -0.011744 6C 1f-3 0.339272 0.039821 -0.009501 0.000692 0.000043 -0.000554 7C 1s 0.001957 0.022068 -0.000029 0.000097 -0.000258 -0.000510 7C 2s 0.002112 0.049195 -0.000021 -0.000059 0.000193 0.000200 7C 3s 0.056648 -0.198616 0.002260 0.000198 -0.002032 -0.008738 7C 4s -0.310848 -1.403838 -0.015300 -0.004112 0.010140 0.070731 7C 5s -0.004603 -0.570222 0.038966 -0.014930 0.092550 0.010132 7C 1pz 0.023779 0.051784 0.002200 0.000126 0.000890 -0.001709 7C 1px -0.073040 0.081696 0.000963 0.000131 -0.005183 0.006990 7C 1py -0.013522 0.062605 -0.001411 -0.000159 -0.001194 0.001472 7C 2pz 0.069396 0.549491 -0.023725 0.002790 0.009076 -0.024613 7C 2px -0.045314 0.369489 -0.011219 -0.005120 0.009401 -0.018328 7C 2py 0.030058 0.464868 0.004154 0.002290 0.007946 -0.021514 7C 3pz 0.087218 -0.253819 -0.020267 0.025036 0.009882 -0.127348 7C 3px -0.035124 0.088776 -0.016060 -0.009126 -0.054193 0.059306 7C 3py 0.043085 -0.125551 0.041176 0.003702 -0.006586 -0.052544 7C 1dz2 -0.060190 0.133178 0.007388 0.002110 0.001771 -0.003645 7C 1dxz 0.126351 0.032643 0.003438 -0.002560 -0.004639 0.006206 7C 1dyz -0.000971 0.008299 -0.005019 -0.002373 -0.000869 0.000777 7C 1dx2y2 -0.006676 -0.187959 0.005974 -0.002390 0.000163 0.001388 7C 1dxy 0.082578 -0.142109 0.000479 0.004890 -0.004919 0.004795 7C 2dz2 -0.254447 0.425280 -0.038179 -0.011576 0.004509 0.012314 7C 2dxz 0.627170 -0.062780 -0.018076 0.016730 0.012935 -0.047578 7C 2dyz -0.000698 0.206845 0.016690 0.013249 -0.000026 -0.012322 7C 2dx2y2 -0.083584 -0.361001 -0.020661 0.011843 -0.017538 0.003651 7C 2dxy 0.383701 -0.323955 -0.001765 -0.024213 0.042935 0.004982 7C 1f0 0.248112 -0.131604 -0.005095 0.004990 -0.006868 -0.001522 7C 1f+1 -0.250515 0.169220 -0.007639 -0.005674 0.006222 0.004754 7C 1f-1 0.055339 -0.030557 -0.000810 -0.002971 0.005058 0.001048 7C 1f+2 -0.170220 0.075269 -0.000314 -0.002324 0.005072 -0.002956 7C 1f-2 -0.287754 0.175768 0.006269 0.003524 -0.003824 -0.002795 7C 1f+3 -0.257534 0.145935 -0.006230 0.006619 -0.003832 -0.009687 7C 1f-3 -0.063884 0.050807 0.009794 0.002219 0.000682 -0.002497 8C 1s 0.000343 -0.004309 -0.000812 0.000211 -0.000061 -0.000351 8C 2s 0.000266 -0.004750 0.000351 -0.000139 0.000040 0.000197 8C 3s 0.021880 0.022461 0.013818 0.003915 0.002066 0.002067 8C 4s -0.037167 0.380732 -0.067438 -0.027689 -0.016441 -0.013243 8C 5s 0.104713 -0.405960 0.119704 0.038457 0.012513 -0.055392 8C 1pz 0.019476 -0.012271 -0.005274 -0.000821 -0.000264 0.000488 8C 1px -0.061815 -0.011738 -0.000997 -0.001416 -0.001553 -0.000262 8C 1py -0.008420 0.021097 -0.002373 -0.000870 -0.000103 0.000469 8C 2pz -0.186812 -0.109050 0.050741 0.015865 0.004270 -0.007110 8C 2px 0.438031 -0.080467 0.015629 0.017055 0.035102 0.014075 8C 2py 0.139756 0.259274 -0.004428 -0.004996 -0.008225 -0.003814 8C 3pz -0.027565 0.000357 -0.003749 -0.016581 0.003585 0.024240 8C 3px 0.017677 0.066383 -0.000145 -0.035743 -0.054884 -0.010945 8C 3py 0.016584 -0.098695 0.015527 -0.011884 -0.006106 -0.013380 8C 1dz2 -0.024838 -0.001153 0.002023 -0.000464 0.000866 0.000348 8C 1dxz 0.042141 0.013891 0.001075 0.001142 0.000038 0.000186 8C 1dyz 0.033372 -0.015037 -0.000921 0.000328 0.000157 -0.000094 8C 1dx2y2 0.035489 -0.014348 0.002763 0.000644 -0.001180 -0.001515 8C 1dxy -0.064301 -0.013842 0.001030 0.001205 0.003111 0.001954 8C 2dz2 0.050308 0.004388 -0.023291 0.001456 0.000981 0.000233 8C 2dxz 0.062802 0.032236 -0.013454 -0.000025 0.002273 -0.001513 8C 2dyz -0.023932 -0.099046 0.019262 0.003030 0.005068 0.000699 8C 2dx2y2 -0.135933 -0.067944 -0.006226 0.006785 0.002663 -0.001857 8C 2dxy 0.141653 -0.028847 0.006930 0.000741 0.004283 0.001399 8C 1f0 0.006465 -0.012047 0.000357 -0.001222 -0.000826 0.000725 8C 1f+1 0.019657 -0.026175 0.003407 0.000661 0.000634 0.000207 8C 1f-1 -0.008071 0.003741 -0.005922 0.000852 0.001183 0.000361 8C 1f+2 -0.030229 0.006138 -0.002336 -0.000170 0.002119 0.001369 8C 1f-2 0.005696 0.033475 -0.003520 -0.001192 -0.001887 -0.001229 8C 1f+3 -0.038907 -0.038392 0.000487 -0.000455 0.001215 0.001775 8C 1f-3 -0.044141 0.037631 0.002639 -0.000693 0.000965 0.001234 9C 1s -0.000271 0.004444 0.000552 -0.000014 0.000191 -0.000059 9C 2s -0.000058 0.004717 -0.000248 0.000006 -0.000110 0.000045 9C 3s -0.036843 -0.001047 -0.007679 0.000932 0.000963 -0.002918 9C 4s 0.087472 -0.419980 0.035666 -0.004878 -0.013218 0.023815 9C 5s -0.100208 0.505431 -0.070171 -0.012854 -0.059029 0.109841 9C 1pz -0.011890 0.026960 -0.002453 -0.001406 -0.000371 0.001289 9C 1px 0.053304 -0.022286 -0.001903 0.000026 0.000743 -0.000939 9C 1py 0.012552 0.008982 0.004977 0.001797 -0.001185 -0.000388 9C 2pz 0.157674 0.153660 0.008810 0.013728 0.019582 -0.026249 9C 2px -0.387825 0.269877 0.011543 -0.001063 -0.017442 0.021792 9C 2py -0.049967 0.160060 -0.043337 -0.016476 0.017651 0.000151 9C 3pz 0.022567 -0.100738 0.008878 -0.018443 0.003175 -0.001955 9C 3px -0.026895 -0.077553 0.001542 0.011334 0.030026 -0.046907 9C 3py 0.008156 -0.060729 -0.000064 0.030850 -0.006555 -0.029784 9C 1dz2 0.031054 -0.031726 0.002556 0.000007 -0.001989 0.001641 9C 1dxz -0.056324 0.024599 0.001819 0.000835 0.000831 -0.001582 9C 1dyz 0.005397 -0.021822 -0.000834 0.000285 -0.000198 0.000142 9C 1dx2y2 0.002781 0.011486 0.001827 0.001301 0.001373 -0.001790 9C 1dxy -0.041790 0.022662 -0.000518 -0.001022 0.001155 -0.001583 9C 2dz2 -0.097153 -0.021011 -0.019297 0.001554 -0.004976 0.002480 9C 2dxz 0.061500 -0.020783 -0.005544 0.000265 -0.004109 0.001211 9C 2dyz 0.036230 -0.114446 0.017629 -0.000829 -0.003108 0.000473 9C 2dx2y2 0.115341 -0.022912 -0.017289 0.000644 0.002382 -0.005901 9C 2dxy 0.086163 -0.039132 -0.005169 -0.003270 0.002246 0.002021 9C 1f0 -0.032943 0.040760 0.005331 -0.000892 0.001609 -0.000644 9C 1f+1 0.018987 0.027406 0.002366 0.000932 -0.001626 0.001129 9C 1f-1 -0.004284 0.015481 -0.000809 0.000610 0.000873 -0.001379 9C 1f+2 0.024076 -0.051801 0.004483 0.000293 -0.000090 0.000618 9C 1f-2 0.022457 -0.014423 -0.000165 -0.000526 -0.001277 0.002133 9C 1f+3 0.019224 -0.016704 0.000483 -0.001185 0.000062 0.001762 9C 1f-3 -0.010701 0.041451 -0.003146 -0.000176 -0.000181 -0.000110 10H 1s 0.051019 0.052083 -0.001050 0.000007 -0.000090 0.000649 10H 2s 0.170337 0.113630 0.005469 0.002543 -0.013845 0.014280 10H 3s -0.018877 -0.076655 0.010226 -0.014513 0.027534 -0.034991 10H 1pz 0.053492 0.028865 0.000682 0.000099 -0.002484 0.002976 10H 1px -0.039994 -0.045841 -0.000240 -0.000877 0.002933 -0.002780 10H 1py 0.026223 0.011233 0.001254 -0.000045 -0.001376 0.000881 11H 1s -0.015231 -0.020017 -0.001743 -0.000018 0.000742 0.000079 11H 2s -0.018915 -0.037992 -0.006622 0.011341 0.008603 -0.001562 11H 3s -0.013186 0.006315 0.020876 -0.025157 -0.008026 -0.006763 11H 1pz -0.004696 0.001336 -0.005212 0.001534 0.001960 -0.000475 11H 1px -0.007070 -0.014190 -0.002118 0.001849 0.001186 -0.000745 11H 1py -0.005269 0.009358 -0.001528 -0.001379 -0.000780 -0.000557 12H 1s -0.027749 -0.017185 -0.001293 0.000036 -0.000511 -0.001061 12H 2s -0.052584 -0.030013 0.011618 -0.015687 -0.002408 -0.013906 12H 3s -0.007088 -0.022144 0.008010 0.038364 0.017509 0.019800 12H 1pz -0.008303 0.000557 0.003219 0.001449 0.001315 0.000141 12H 1px -0.014353 -0.010707 0.000780 -0.001797 -0.000216 -0.002283 12H 1py -0.018060 -0.003611 0.004162 -0.003457 -0.000247 -0.003507 13H 1s -0.062950 -0.013942 0.001679 -0.000302 0.001155 0.000134 13H 2s -0.200500 -0.002875 -0.008692 -0.003383 0.010281 0.007170 13H 3s 0.022340 0.062671 -0.014229 0.022876 -0.024801 -0.011254 13H 1pz -0.059156 -0.003890 -0.001788 -0.000933 0.002265 0.001998 13H 1px 0.033147 0.016600 -0.000329 0.001294 -0.001863 -0.001043 13H 1py 0.051677 -0.008190 0.001208 0.000046 -0.002242 -0.001497 14H 1s 0.039966 -0.005191 0.002073 -0.000082 -0.000600 0.000820 14H 2s 0.085448 -0.011345 -0.011630 0.011945 -0.016411 -0.002160 14H 3s 0.003567 0.028945 -0.016142 -0.035840 0.035413 -0.005628 14H 1pz 0.016729 -0.009360 -0.003176 0.000782 -0.001860 -0.000834 14H 1px 0.032178 -0.006632 -0.001857 0.002700 -0.004299 -0.000180 14H 1py -0.014229 0.000790 0.002865 0.001778 -0.000309 0.001059 15H 1s 0.013831 0.012509 0.002407 0.000147 0.000271 -0.000101 15H 2s 0.018007 0.031642 0.003828 -0.009155 -0.004086 -0.007060 15H 3s 0.013379 -0.020077 -0.026501 0.021829 0.005160 0.012234 15H 1pz 0.001859 -0.019543 0.001181 0.001388 0.000803 0.000975 15H 1px 0.007915 0.001698 0.001854 -0.000423 -0.000630 0.000377 15H 1py -0.005614 -0.000274 -0.005318 0.001944 0.000389 0.001625 16H 1s 0.078776 -0.107581 -0.001151 0.001466 -0.000478 -0.002498 16H 2s 0.172235 -0.021599 0.012663 -0.016665 0.034574 -0.016271 16H 3s 0.001897 0.031688 -0.000208 -0.000864 0.030243 -0.063137 16H 1pz 0.091754 -0.050663 0.004806 -0.006225 0.009865 -0.004274 16H 1px -0.015555 -0.011548 0.000711 -0.000982 -0.007280 0.015978 16H 1py 0.036916 -0.022908 -0.002021 0.002344 -0.003938 0.000808 17H 1s -0.085483 0.116354 -0.002884 0.003422 -0.000903 0.002282 17H 2s -0.163888 0.111250 0.016635 -0.021472 0.036838 0.007134 17H 3s 0.014364 -0.038591 -0.001329 -0.000897 0.033608 0.055197 17H 1pz 0.055608 -0.063096 -0.004649 0.005966 -0.002681 0.007556 17H 1px 0.067864 -0.048894 -0.003107 0.004131 -0.013744 -0.013080 17H 1py -0.052802 0.044338 -0.000479 0.000304 -0.002488 -0.000991 18H 1s 0.086557 0.112904 -0.003095 -0.003660 -0.000930 0.002299 18H 2s 0.153174 0.110740 0.017222 0.022197 0.036741 0.008198 18H 3s -0.015132 -0.037670 -0.001541 0.000767 0.032596 0.056741 18H 1pz 0.056188 0.063647 0.004687 0.006028 0.002828 -0.007483 18H 1px 0.064492 0.047833 0.003246 0.004304 0.013453 0.013533 18H 1py -0.048400 -0.040648 0.000446 0.000260 0.002665 0.001071 19H 1s -0.088713 -0.106521 -0.000910 -0.001179 -0.000432 -0.002511 19H 2s -0.188486 -0.015313 0.011758 0.015492 0.035062 -0.015138 19H 3s 0.001083 0.032145 0.000012 0.001114 0.031652 -0.061858 19H 1pz 0.100803 0.047412 -0.004586 -0.005925 -0.010092 0.003870 19H 1px -0.017412 0.011301 -0.000804 -0.001064 0.007615 -0.015763 19H 1py 0.043708 0.023942 0.002036 0.002369 0.003792 -0.000715 20H 1s -0.014225 0.012535 0.002359 -0.000143 0.000316 -0.000033 20H 2s -0.017759 0.031615 0.003982 0.009391 -0.003861 -0.006609 20H 3s -0.015371 -0.018571 -0.026053 -0.022292 0.005528 0.012855 20H 1pz 0.003143 0.019246 -0.001176 0.001440 -0.000716 -0.000835 20H 1px 0.008741 -0.002017 -0.001866 -0.000449 0.000640 -0.000354 20H 1py -0.006203 0.000138 0.005332 0.001964 -0.000425 -0.001684 21H 1s -0.042813 -0.004082 0.002035 0.000073 -0.000612 0.000805 21H 2s -0.090639 -0.008684 -0.011602 -0.012059 -0.016303 -0.001840 21H 3s -0.002087 0.028609 -0.015660 0.035968 0.035744 -0.005082 21H 1pz 0.018152 0.008985 0.003195 0.000815 0.001934 0.000930 21H 1px 0.034128 0.005584 0.001877 0.002710 0.004273 0.000142 21H 1py -0.014938 -0.000770 -0.002886 0.001788 0.000290 -0.001157 22H 1s 0.066686 -0.015470 0.001645 0.000306 0.001090 0.000031 22H 2s 0.214848 -0.007235 -0.008528 0.003187 0.010214 0.006740 22H 3s -0.020759 0.063791 -0.013922 -0.022303 -0.024211 -0.010210 22H 1pz -0.062581 0.005063 0.001750 -0.000892 -0.002197 -0.001834 22H 1px 0.035036 -0.017442 0.000318 0.001257 0.001863 0.001019 22H 1py 0.055904 0.006990 -0.001172 0.000045 0.002207 0.001388 23H 1s 0.030780 -0.018015 -0.001177 -0.000050 -0.000512 -0.001053 23H 2s 0.056980 -0.031122 0.011399 0.015830 -0.002640 -0.013826 23H 3s 0.006999 -0.021147 0.006877 -0.038152 0.017664 0.018806 23H 1pz -0.009388 -0.000934 -0.003244 0.001443 -0.001242 -0.000173 23H 1px -0.015555 0.011069 -0.000793 -0.001755 0.000200 0.002205 23H 1py -0.020146 0.004053 -0.004211 -0.003498 0.000356 0.003489 24H 1s 0.017455 -0.020363 -0.001609 0.000023 0.000778 0.000064 24H 2s 0.022018 -0.037884 -0.006931 -0.011562 0.009057 -0.001355 24H 3s 0.013887 0.005069 0.019698 0.025836 -0.008167 -0.007014 24H 1pz -0.006134 -0.001415 0.005200 0.001535 -0.001998 0.000347 24H 1px -0.007868 0.014367 0.002125 0.001924 -0.001307 0.000715 24H 1py -0.006585 -0.008637 0.001543 -0.001395 0.000785 0.000499 25H 1s -0.057796 0.053713 -0.000958 0.000000 -0.000124 0.000675 25H 2s -0.192942 0.118682 0.005047 -0.002428 -0.014077 0.013942 25H 3s 0.017535 -0.077689 0.009339 0.013475 0.028390 -0.034930 25H 1pz 0.060918 -0.030648 -0.000618 0.000103 0.002540 -0.002976 25H 1px -0.044752 0.047105 0.000242 -0.000813 -0.002993 0.002737 25H 1py 0.029624 -0.011314 -0.001198 -0.000036 0.001383 -0.000853 26O 1s 0.002055 0.007327 0.000016 -0.000017 -0.000012 0.000251 26O 2s 0.007462 0.024723 0.000008 -0.000006 -0.000014 0.000214 26O 3s -0.096605 -0.317387 -0.000043 -0.000048 0.002260 -0.005726 26O 4s 0.373975 0.664163 0.000213 0.000255 -0.029719 0.053873 26O 5s -0.297077 1.173661 -0.018302 0.005227 0.082308 -0.245191 26O 1pz -0.050104 0.003502 -0.000796 -0.003720 -0.005420 0.004644 26O 1px 0.055976 0.137083 -0.001035 -0.001993 0.004729 -0.007717 26O 1py -0.010067 0.052360 0.001254 0.005915 0.000231 0.001212 26O 2pz 0.301214 0.043737 0.007190 0.011936 0.017169 -0.014831 26O 2px -0.232581 -0.607546 0.007643 0.005261 -0.008159 0.022543 26O 2py 0.097893 -0.196628 -0.009176 -0.019047 0.002678 -0.003688 26O 3pz -0.137080 -0.035437 -0.040584 0.033420 0.048187 -0.023961 26O 3px -0.019069 -0.478672 -0.023847 0.024614 0.018667 0.061424 26O 3py -0.098250 -0.195485 0.056384 -0.045077 -0.041175 -0.058162 26O 1dz2 0.131018 0.152675 0.007506 -0.009663 -0.008819 -0.001679 26O 1dxz 0.109258 -0.153778 0.003648 -0.003124 0.004382 -0.003437 26O 1dyz 0.211748 -0.073091 -0.003877 0.005672 0.005024 0.003756 26O 1dx2y2 -0.102160 -0.153538 0.005238 -0.005081 0.002980 -0.000133 26O 1dxy 0.050037 -0.256211 0.000772 -0.002590 -0.002444 -0.009211 26O 2dz2 -0.193344 -0.260973 -0.021473 0.026051 0.022748 -0.001895 26O 2dxz -0.315044 0.108145 -0.013647 0.006677 -0.016655 0.010396 26O 2dyz -0.338375 0.054307 0.010127 -0.015816 -0.008221 -0.013482 26O 2dx2y2 0.231575 0.311047 -0.019371 0.011813 -0.011465 -0.003265 26O 2dxy -0.115443 0.355800 0.001671 0.009723 0.005137 0.024338 26O 1f0 -0.137188 -0.015215 -0.004167 0.002937 0.004750 -0.002007 26O 1f+1 0.118770 0.140838 -0.001984 0.002821 -0.001967 0.000001 26O 1f-1 -0.012297 0.050220 -0.000223 0.001847 0.000946 -0.000732 26O 1f+2 0.085426 -0.011173 -0.002152 0.005115 -0.000157 0.003069 26O 1f-2 0.171651 0.042137 -0.000335 0.001419 -0.001399 0.006623 26O 1f+3 0.133161 0.087659 -0.001288 -0.003804 -0.002959 0.001188 26O 1f-3 0.002397 0.129892 0.002133 -0.000752 0.003341 -0.001798 27O 1s -0.002886 -0.005402 0.000014 0.000120 0.000047 0.000021 27O 2s -0.010652 -0.017628 0.000020 0.000138 0.000060 0.000068 27O 3s 0.144259 0.220561 -0.000370 -0.002957 -0.004344 -0.004719 27O 4s -0.533478 -0.353342 0.001671 0.008752 0.053957 0.039811 27O 5s 0.191307 -1.176397 0.014513 -0.011680 -0.153315 -0.016800 27O 1pz 0.049582 -0.015725 -0.001631 -0.006311 0.005431 0.002430 27O 1px -0.068453 -0.101210 0.000399 -0.001179 -0.004875 -0.004116 27O 1py -0.049079 0.052351 -0.000931 -0.004041 -0.004612 -0.005581 27O 2pz -0.283320 0.063451 0.011191 0.021219 -0.017223 -0.008126 27O 2px 0.297469 0.446914 -0.001865 0.002513 0.002678 -0.004055 27O 2py 0.309927 -0.231632 0.008756 0.012377 0.019834 0.021924 27O 3pz 0.090377 -0.056431 -0.053914 0.042533 -0.069176 0.043599 27O 3px 0.132956 0.362823 -0.008588 0.004509 -0.000703 -0.027340 27O 3py -0.180942 0.003986 -0.041594 0.032560 0.008912 0.062009 27O 1dz2 0.019056 -0.187128 0.007331 -0.009811 0.008515 -0.004527 27O 1dxz -0.133863 0.114165 0.003318 -0.001835 -0.005305 0.003298 27O 1dyz 0.200326 -0.088723 -0.003887 0.004483 -0.003217 0.000426 27O 1dx2y2 0.176814 0.101480 0.005361 -0.006189 -0.002351 -0.007600 27O 1dxy 0.162445 -0.321328 0.000590 0.000642 0.001266 0.008735 27O 2dz2 -0.017828 0.274267 -0.020320 0.026634 -0.020150 0.006077 27O 2dxz 0.343425 -0.154059 -0.014941 0.001381 0.017497 -0.009754 27O 2dyz -0.256295 0.107515 0.012319 -0.011396 0.013469 0.005407 27O 2dx2y2 -0.332720 -0.191854 -0.016843 0.016797 0.013099 0.022320 27O 2dxy -0.412089 0.456899 -0.005530 -0.004015 -0.005837 -0.027685 27O 1f0 0.110343 -0.018818 -0.001754 -0.001648 -0.002028 -0.001349 27O 1f+1 -0.017227 -0.091235 -0.002187 0.002163 -0.000710 -0.002888 27O 1f-1 -0.085519 0.044216 0.003930 -0.005233 0.004302 -0.001665 27O 1f+2 -0.170490 0.049192 0.000808 0.003106 0.000529 0.003539 27O 1f-2 0.102459 -0.003375 0.000869 -0.003286 -0.001980 -0.002315 27O 1f+3 -0.207526 -0.044696 0.000390 -0.003030 0.001265 0.002026 27O 1f-3 -0.203488 0.159004 -0.003196 0.000873 0.005072 0.003241 28O 1s -0.002473 0.003133 -0.000050 0.000006 -0.000031 -0.000049 28O 2s -0.009106 0.009520 -0.000055 -0.000006 -0.000040 -0.000075 28O 3s 0.132597 -0.106151 0.001023 0.000479 -0.001395 0.005161 28O 4s -0.541583 0.008897 -0.003227 -0.002377 0.035215 -0.049393 28O 5s 0.161765 0.942363 -0.003942 -0.019196 -0.118998 0.051665 28O 1pz 0.000579 0.077844 -0.000815 0.003707 0.002529 -0.001732 28O 1px 0.062006 -0.017419 -0.000330 0.002393 0.006253 -0.007625 28O 1py 0.025108 0.041803 0.001352 -0.006037 0.001948 -0.005281 28O 2pz -0.026646 -0.354884 0.007641 -0.010721 -0.015108 0.019773 28O 2px -0.354702 0.031385 0.002802 -0.009671 -0.013944 0.010958 28O 2py -0.156310 -0.208514 -0.010401 0.019792 -0.009652 0.019079 28O 3pz 0.154686 -0.018433 -0.034627 -0.021964 -0.046363 0.007490 28O 3px 0.011791 0.215760 -0.022255 -0.023541 -0.041089 -0.032960 28O 3py 0.095583 0.063037 0.049554 0.044755 0.038101 0.061836 28O 1dz2 -0.117619 -0.248390 0.007249 0.007880 -0.000108 0.004080 28O 1dxz -0.039414 0.164570 0.003337 0.004944 0.009432 -0.003249 28O 1dyz -0.189483 -0.274269 -0.003929 -0.003814 0.000052 0.001133 28O 1dx2y2 0.057634 0.027424 0.005176 0.007375 0.006091 0.007544 28O 1dxy -0.024606 0.073256 0.000734 -0.001251 -0.003419 -0.007827 28O 2dz2 0.288353 0.411867 -0.024402 -0.019380 0.004886 -0.009082 28O 2dxz 0.059289 -0.266640 -0.007801 -0.013792 -0.027175 0.017197 28O 2dyz 0.314061 0.398161 0.014555 0.008078 -0.006256 -0.001604 28O 2dx2y2 -0.205958 -0.085493 -0.013524 -0.021290 -0.013662 -0.018546 28O 2dxy -0.060728 -0.165877 -0.007038 0.006404 0.005542 0.026577 28O 1f0 -0.120758 -0.069157 -0.003461 -0.006312 0.000523 -0.002692 28O 1f+1 0.126127 0.197270 -0.003078 0.000404 -0.003652 0.004198 28O 1f-1 -0.080189 -0.066046 -0.001021 0.000138 0.001781 -0.003513 28O 1f+2 0.081714 -0.022514 -0.002482 -0.003348 -0.001967 -0.001739 28O 1f-2 0.140847 0.157530 0.000810 -0.003613 -0.004223 0.002719 28O 1f+3 0.107269 0.065703 -0.000148 -0.000134 0.001907 0.003438 28O 1f-3 0.022680 0.059759 0.002927 -0.000351 -0.001393 0.000159 29O 1s 0.000114 0.000074 0.000125 -0.000188 0.000887 -0.000044 29O 2s 0.000342 -0.000060 0.000092 -0.000139 0.000747 -0.000036 29O 3s -0.004454 0.007388 -0.000351 0.000705 -0.011196 0.000638 29O 4s 0.010902 -0.016847 0.000185 -0.000149 0.034397 -0.004300 29O 5s -0.005751 -0.072220 -0.022555 0.028236 -0.111886 0.016384 29O 1pz -0.033289 0.039145 -0.000403 0.000582 -0.000186 0.004226 29O 1px -0.013623 0.017519 0.000411 -0.000558 -0.001304 0.001935 29O 1py 0.004103 -0.006536 -0.000466 0.000300 -0.008620 0.000069 29O 2pz 0.202134 -0.177491 0.001843 -0.002508 0.001711 -0.009690 29O 2px 0.078228 -0.086721 -0.003965 0.005243 0.000150 -0.004151 29O 2py -0.023187 0.038624 0.004316 -0.004822 0.025896 -0.000594 29O 3pz 0.079799 0.017360 -0.000903 -0.000071 0.004451 -0.036290 29O 3px 0.025032 0.013336 -0.000472 0.003048 -0.011886 -0.013814 29O 3py 0.000299 0.025329 0.011348 -0.015401 0.018214 -0.001554 29O 1dz2 0.031131 -0.050912 -0.003374 0.004019 0.001035 0.007738 29O 1dxz -0.027131 0.040025 -0.001476 0.001601 0.003806 -0.013062 29O 1dyz 0.071449 -0.099789 0.001625 -0.001990 -0.004604 -0.007442 29O 1dx2y2 -0.003029 0.003374 -0.002797 0.003429 -0.005748 -0.005858 29O 1dxy 0.035937 -0.047282 -0.000112 0.000346 0.012848 -0.002000 29O 2dz2 -0.079241 0.084866 0.005576 -0.006391 -0.004811 -0.014895 29O 2dxz 0.071992 -0.085657 0.001952 -0.001709 -0.010431 0.026801 29O 2dyz -0.154126 0.160586 -0.003349 0.004104 0.008703 0.019233 29O 2dx2y2 0.015258 -0.013583 0.005909 -0.007374 0.014028 0.012409 29O 2dxy -0.072628 0.081765 0.001893 -0.002996 -0.022677 0.005347 29O 1f0 0.003822 0.007269 0.000979 -0.001171 -0.000417 0.002102 29O 1f+1 0.012474 -0.003976 -0.000980 0.001194 0.000215 0.003714 29O 1f-1 0.034015 -0.032225 -0.000523 0.000511 0.002343 0.001853 29O 1f+2 -0.020197 0.017449 -0.000654 0.000774 0.002835 -0.002459 29O 1f-2 -0.049356 0.054812 0.000641 -0.000829 -0.002819 -0.003874 29O 1f+3 0.017600 -0.019104 0.001007 -0.001068 0.002470 0.001835 29O 1f-3 0.021434 -0.023575 0.000357 -0.000462 -0.008675 0.002042 30O 1s 0.003540 -0.005599 0.000087 0.000084 -0.000108 -0.000241 30O 2s 0.012815 -0.018609 0.000091 0.000068 -0.000110 -0.000191 30O 3s -0.180673 0.237085 -0.001755 -0.001190 0.004933 0.004346 30O 4s 0.679094 -0.433570 0.008438 0.002693 -0.045302 -0.040968 30O 5s -0.120231 -1.171389 -0.012153 -0.011831 0.096562 0.216388 30O 1pz 0.010439 -0.063553 -0.001364 0.005623 -0.000476 0.002349 30O 1px -0.094685 0.063415 -0.000113 0.001135 -0.009017 -0.007019 30O 1py 0.009521 0.077015 -0.001009 0.004468 0.002360 0.001795 30O 2pz -0.030989 0.284236 0.009979 -0.017902 0.007751 -0.007201 30O 2px 0.513946 -0.298666 0.001811 -0.003858 0.019348 0.023830 30O 2py -0.098718 -0.329322 0.008766 -0.014182 -0.015066 -0.004256 30O 3pz -0.155689 0.128960 -0.059925 -0.048356 0.054035 -0.051685 30O 3px 0.013488 -0.326503 -0.009879 -0.011601 0.011632 0.040265 30O 3py 0.230321 -0.112621 -0.036599 -0.035723 0.014733 -0.056033 30O 1dz2 -0.022543 0.014451 0.007398 0.007940 0.000532 0.001643 30O 1dxz 0.092888 -0.122490 0.003549 0.005677 -0.010198 0.006080 30O 1dyz -0.197527 -0.293300 -0.003940 -0.004751 -0.001724 -0.004587 30O 1dx2y2 -0.186315 -0.131898 0.005107 0.006464 -0.003131 0.001610 30O 1dxy -0.132952 0.155648 0.000454 0.002809 0.001301 0.008634 30O 2dz2 -0.064639 -0.001862 -0.025723 -0.018876 -0.007235 -0.002870 30O 2dxz -0.184182 0.214448 -0.006464 -0.018017 0.029433 -0.014125 30O 2dyz 0.350046 0.401120 0.012350 0.012608 0.004643 0.006169 30O 2dx2y2 0.481831 0.143257 -0.015793 -0.016549 0.006945 -0.000103 30O 2dxy 0.159358 -0.256417 0.002393 -0.009005 -0.010206 -0.025631 30O 1f0 0.027818 -0.053609 -0.000991 -0.001979 0.000158 0.002615 30O 1f+1 -0.036702 -0.039825 -0.003382 0.000939 0.000673 0.001044 30O 1f-1 -0.090855 -0.019735 0.003060 0.007197 0.000440 0.004098 30O 1f+2 -0.224477 -0.000559 0.000282 -0.001364 0.005539 0.000587 30O 1f-2 0.066260 0.133087 0.001632 0.000925 -0.004659 -0.001744 30O 1f+3 -0.180714 -0.080194 0.001636 -0.000782 0.003073 0.003828 30O 1f-3 -0.186476 0.051774 -0.002878 -0.001720 0.001334 0.002032 31O 1s -0.004175 -0.005506 0.000090 -0.000087 -0.000095 -0.000236 31O 2s -0.015005 -0.018272 0.000095 -0.000072 -0.000094 -0.000183 31O 3s 0.210021 0.232244 -0.001825 0.001268 0.004504 0.004093 31O 4s -0.754247 -0.416557 0.008604 -0.002925 -0.044172 -0.040676 31O 5s 0.036056 -1.166339 -0.012067 0.011997 0.101005 0.220564 31O 1pz 0.015643 0.063051 0.001376 0.005610 0.000451 -0.002302 31O 1px -0.105598 -0.061296 0.000112 0.001131 0.009087 0.007136 31O 1py 0.005109 -0.076840 0.000999 0.004467 -0.002352 -0.001752 31O 2pz -0.051601 -0.281847 -0.009989 -0.017868 -0.007203 0.007355 31O 2px 0.569838 0.286417 -0.001834 -0.003814 -0.020237 -0.024819 31O 2py -0.082831 0.329318 -0.008747 -0.014151 0.014566 0.003883 31O 3pz -0.182127 -0.124580 0.060175 -0.049110 -0.053219 0.051214 31O 3px 0.043540 0.324432 0.009695 -0.011517 -0.013535 -0.041235 31O 3py 0.253443 0.105819 0.036078 -0.035531 -0.015510 0.057226 31O 1dz2 0.017429 0.013445 0.007388 -0.007945 0.000587 0.001612 31O 1dxz -0.110382 -0.120307 0.003544 -0.005721 -0.010166 0.006074 31O 1dyz 0.190754 -0.296289 -0.003932 0.004764 -0.001673 -0.004547 31O 1dx2y2 0.186979 -0.134493 0.005106 -0.006485 -0.003173 0.001513 31O 1dxy 0.154172 0.152208 0.000456 -0.002826 0.001293 0.008699 31O 2dz2 0.076937 -0.002750 -0.025704 0.018880 -0.007444 -0.002911 31O 2dxz 0.213719 0.209735 -0.006472 0.018139 0.029046 -0.014386 31O 2dyz -0.344793 0.406825 0.012326 -0.012629 0.004357 0.005941 31O 2dx2y2 -0.500687 0.152185 -0.015767 0.016592 0.007191 0.000361 31O 2dxy -0.189843 -0.251757 0.002418 0.009028 -0.009889 -0.025516 31O 1f0 0.033796 0.052838 0.000985 -0.001970 -0.000186 -0.002697 31O 1f+1 -0.038441 0.040339 0.003383 0.000946 -0.000664 -0.000998 31O 1f-1 -0.094927 0.021607 -0.003052 0.007215 -0.000448 -0.004046 31O 1f+2 -0.239552 0.005291 -0.000281 -0.001363 -0.005498 -0.000503 31O 1f-2 0.062107 -0.133972 -0.001619 0.000918 0.004713 0.001720 31O 1f+3 -0.186607 0.083547 -0.001640 -0.000766 -0.003048 -0.003724 31O 1f-3 -0.203371 -0.047579 0.002884 -0.001720 -0.001284 -0.001973 32O 1s -0.000004 0.000118 0.000125 0.000187 0.000888 -0.000016 32O 2s 0.000079 0.000056 0.000092 0.000138 0.000747 -0.000012 32O 3s -0.003177 0.006215 -0.000359 -0.000722 -0.011180 0.000284 32O 4s 0.006839 -0.014419 0.000213 0.000202 0.034328 -0.003372 32O 5s 0.020699 -0.077349 -0.022334 -0.027938 -0.112010 0.013448 32O 1pz -0.036019 -0.038483 0.000390 0.000591 0.000080 -0.004240 32O 1px -0.013200 -0.016924 -0.000409 -0.000543 0.001257 -0.001919 32O 1py 0.001798 0.005364 0.000462 0.000302 0.008650 0.000114 32O 2pz 0.215438 0.173686 -0.001362 -0.001956 -0.001368 0.009616 32O 2px 0.074101 0.084316 0.004081 0.005353 0.000003 0.004153 32O 2py -0.008857 -0.033630 -0.004288 -0.004798 -0.025996 0.000057 32O 3pz 0.079708 -0.018852 0.001270 0.000607 -0.004900 0.036045 32O 3px 0.024790 -0.013106 0.000596 0.003307 0.012005 0.014591 32O 3py 0.008453 -0.028414 -0.011206 -0.015188 -0.018337 0.001467 32O 1dz2 -0.033453 -0.048538 -0.003397 -0.004051 0.001092 0.008044 32O 1dxz 0.027729 0.040483 -0.001459 -0.001551 0.003793 -0.012916 32O 1dyz -0.077436 -0.098907 0.001591 0.001943 -0.004482 -0.007608 32O 1dx2y2 0.005656 0.004243 -0.002787 -0.003405 -0.005797 -0.005867 32O 1dxy -0.036439 -0.044972 -0.000138 -0.000367 0.012918 -0.001839 32O 2dz2 0.083307 0.078685 0.005709 0.006571 -0.004962 -0.015780 32O 2dxz -0.073878 -0.086515 0.001836 0.001494 -0.010448 0.026358 32O 2dyz 0.165039 0.158543 -0.003143 -0.003831 0.008279 0.019561 32O 2dx2y2 -0.021305 -0.015774 0.005845 0.007268 0.014120 0.012444 32O 2dxy 0.070151 0.077306 0.001979 0.003079 -0.022868 0.005110 32O 1f0 0.004742 -0.008823 -0.000945 -0.001115 0.000584 -0.002005 32O 1f+1 0.012659 0.005419 0.001024 0.001258 -0.000256 -0.003847 32O 1f-1 0.039194 0.030612 0.000532 0.000524 -0.002370 -0.001965 32O 1f+2 -0.022714 -0.016724 0.000654 0.000766 -0.002595 0.002346 32O 1f-2 -0.049752 -0.054354 -0.000640 -0.000836 0.002750 0.003995 32O 1f+3 0.015261 0.016324 -0.001005 -0.001064 -0.002597 -0.001791 32O 1f-3 0.022406 0.023303 -0.000367 -0.000459 0.008754 -0.001809 33O 1s 0.003303 0.003086 -0.000044 -0.000007 -0.000026 -0.000047 33O 2s 0.011998 0.009334 -0.000047 0.000004 -0.000035 -0.000068 33O 3s -0.172025 -0.103327 0.000854 -0.000434 -0.001524 0.004936 33O 4s 0.650483 -0.003564 -0.002548 0.002281 0.035600 -0.048289 33O 5s -0.068046 0.947158 -0.003403 0.017866 -0.118348 0.053885 33O 1pz -0.005754 -0.077799 0.000788 0.003717 -0.002526 0.001715 33O 1px 0.077452 0.016125 0.000359 0.002356 -0.006238 0.007647 33O 1py 0.027226 -0.042494 -0.001351 -0.006047 -0.001941 0.005235 33O 2pz -0.003509 0.355273 -0.007303 -0.010902 0.015287 -0.019433 33O 2px -0.434951 -0.023561 -0.003101 -0.009417 0.013725 -0.011353 33O 2py -0.172409 0.212795 0.010467 0.019778 0.009669 -0.019003 33O 3pz 0.196314 0.017077 0.034510 -0.021800 0.046122 -0.005684 33O 3px -0.027540 -0.217742 0.021668 -0.023215 0.040645 0.031487 33O 3py 0.104061 -0.064462 -0.049507 0.044997 -0.038124 -0.060954 33O 1dz2 0.121053 -0.249855 0.007259 -0.007896 -0.000092 0.004072 33O 1dxz 0.070240 0.164320 0.003339 -0.004922 0.009370 -0.003205 33O 1dyz 0.196655 -0.279094 -0.003927 0.003822 0.000013 0.001185 33O 1dx2y2 -0.073148 0.028460 0.005148 -0.007391 0.006089 0.007449 33O 1dxy 0.034942 0.072851 0.000728 0.001271 -0.003431 -0.007739 33O 2dz2 -0.310592 0.417034 -0.024432 0.019417 0.004818 -0.008955 33O 2dxz -0.104821 -0.266247 -0.007880 0.013793 -0.027155 0.016980 33O 2dyz -0.333376 0.406288 0.014529 -0.008121 -0.006188 -0.001679 33O 2dx2y2 0.248061 -0.090098 -0.013394 0.021285 -0.013572 -0.018308 33O 2dxy 0.059578 -0.167891 -0.007050 -0.006453 0.005575 0.026392 33O 1f0 -0.139749 0.071322 0.003440 -0.006321 -0.000521 0.002676 33O 1f+1 0.136419 -0.200184 0.003083 0.000440 0.003648 -0.004280 33O 1f-1 -0.091012 0.068268 0.000993 0.000123 -0.001802 0.003513 33O 1f+2 0.102906 0.020676 0.002500 -0.003369 0.001986 0.001711 33O 1f-2 0.155961 -0.161536 -0.000816 -0.003581 0.004236 -0.002715 33O 1f+3 0.125716 -0.068521 0.000158 -0.000126 -0.001874 -0.003405 33O 1f-3 0.022853 -0.060497 -0.002940 -0.000340 0.001415 -0.000153 34O 1s 0.002817 -0.005455 0.000017 -0.000116 0.000054 0.000027 34O 2s 0.010511 -0.017824 0.000024 -0.000133 0.000066 0.000070 34O 3s -0.143352 0.223088 -0.000472 0.002847 -0.004471 -0.004715 34O 4s 0.549669 -0.363110 0.002027 -0.008450 0.054136 0.039258 34O 5s -0.257032 -1.167993 0.015519 0.012407 -0.153440 -0.018061 34O 1pz 0.053725 0.014418 0.001622 -0.006311 -0.005407 -0.002441 34O 1px -0.067723 0.102548 -0.000419 -0.001196 0.004883 0.004092 34O 1py -0.055301 -0.051026 0.000931 -0.004053 0.004584 0.005488 34O 2pz -0.306865 -0.056293 -0.011161 0.021228 0.017144 0.008166 34O 2px 0.293739 -0.451660 0.002205 0.002731 -0.002593 0.004173 34O 2py 0.343144 0.223603 -0.008832 0.012376 -0.019756 -0.021717 34O 3pz 0.101570 0.053610 0.053821 0.042733 0.068597 -0.044579 34O 3px 0.127748 -0.365229 0.009390 0.005151 0.000148 0.024593 34O 3py -0.189334 0.000248 0.041488 0.032492 -0.008463 -0.059952 34O 1dz2 -0.024233 -0.186846 0.007357 0.009845 0.008469 -0.004506 34O 1dxz 0.151229 0.109798 0.003327 0.001818 -0.005288 0.003309 34O 1dyz -0.218799 -0.083724 -0.003873 -0.004476 -0.003153 0.000548 34O 1dx2y2 -0.181484 0.105608 0.005360 0.006184 -0.002298 -0.007412 34O 1dxy -0.186414 -0.316470 0.000597 -0.000652 0.001242 0.008680 34O 2dz2 0.027259 0.273681 -0.020444 -0.026747 -0.020095 0.005974 34O 2dxz -0.376828 -0.144709 -0.014974 -0.001321 0.017398 -0.009912 34O 2dyz 0.278695 0.101194 0.012303 0.011369 0.013338 0.005210 34O 2dx2y2 0.343230 -0.199016 -0.016735 -0.016708 0.013096 0.022056 34O 2dxy 0.458476 0.446021 -0.005577 0.004029 -0.005764 -0.027482 34O 1f0 0.119629 0.016021 0.001756 -0.001654 0.002053 0.001427 34O 1f+1 -0.013356 0.091436 0.002175 0.002139 0.000713 0.002900 34O 1f-1 -0.094789 -0.042137 -0.003934 -0.005233 -0.004296 0.001621 34O 1f+2 -0.185145 -0.044944 -0.000798 0.003123 -0.000561 -0.003572 34O 1f-2 0.109182 0.001162 -0.000865 -0.003292 0.001980 0.002317 34O 1f+3 -0.219221 0.049217 -0.000412 -0.003040 -0.001297 -0.002061 34O 1f-3 -0.224188 -0.153940 0.003208 0.000887 -0.005118 -0.003289 35O 1s -0.002233 0.007394 0.000020 0.000018 -0.000005 0.000253 35O 2s -0.008164 0.024951 0.000012 0.000007 -0.000005 0.000215 35O 3s 0.106719 -0.320188 -0.000132 0.000020 0.002026 -0.005699 35O 4s -0.420964 0.673752 0.000526 -0.000130 -0.029165 0.053928 35O 5s 0.355143 1.165057 -0.017766 -0.004565 0.084985 -0.247482 35O 1pz -0.059079 -0.002048 0.000803 -0.003713 0.005420 -0.004691 35O 1px 0.061337 -0.138547 0.000994 -0.002027 -0.004758 0.007747 35O 1py -0.013693 -0.052178 -0.001243 0.005908 -0.000254 -0.001159 35O 2pz 0.352567 -0.052082 -0.007150 0.011980 -0.017105 0.015060 35O 2px -0.256308 0.613094 -0.007404 0.005505 0.008722 -0.022960 35O 2py 0.120373 0.194100 0.009194 -0.018955 -0.002450 0.003451 35O 3pz -0.160978 0.038995 0.040802 0.033082 -0.048663 0.024581 35O 3px -0.031399 0.479977 0.024042 0.024518 -0.017384 -0.061588 35O 3py -0.115027 0.198517 -0.056025 -0.045180 0.041661 0.058761 35O 1dz2 -0.151565 0.156320 0.007521 0.009633 -0.008816 -0.001636 35O 1dxz -0.132760 -0.150124 0.003642 0.003118 0.004412 -0.003416 35O 1dyz -0.244261 -0.067693 -0.003863 -0.005662 0.005026 0.003752 35O 1dx2y2 0.116863 -0.156030 0.005237 0.005094 0.002920 -0.000049 35O 1dxy -0.060204 -0.255549 0.000770 0.002621 -0.002492 -0.009269 35O 2dz2 0.221470 -0.266098 -0.021549 -0.025994 0.022616 -0.001915 35O 2dxz 0.370136 0.099175 -0.013634 -0.006659 -0.016689 0.010395 35O 2dyz 0.389862 0.045663 0.010081 0.015812 -0.008215 -0.013449 35O 2dx2y2 -0.264887 0.316868 -0.019344 -0.011817 -0.011145 -0.003610 35O 2dxy 0.137038 0.353471 0.001684 -0.009778 0.005380 0.024363 35O 1f0 -0.160943 0.018850 0.004166 0.002905 -0.004766 0.001949 35O 1f+1 0.134735 -0.143769 0.001967 0.002812 0.001948 0.000069 35O 1f-1 -0.015326 -0.049938 0.000216 0.001839 -0.000947 0.000723 35O 1f+2 0.100102 0.008931 0.002155 0.005128 0.000143 -0.003004 35O 1f-2 0.199665 -0.046559 0.000326 0.001449 0.001381 -0.006614 35O 1f+3 0.154215 -0.091118 0.001277 -0.003788 0.002917 -0.001180 35O 1f-3 0.000189 -0.130251 -0.002141 -0.000766 -0.003370 0.001792 744 745 746 747 748 749 14.23007 14.23623 14.37612 14.42469 14.44522 14.52747 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s 0.000131 -0.000054 0.000113 0.000010 -0.000010 -0.000196 0Rh 2s 0.000167 -0.000083 0.000355 0.000006 -0.000025 0.001722 0Rh 3s 0.000930 -0.000393 0.000931 0.000065 -0.000082 -0.000301 0Rh 4s 0.000749 -0.000252 0.000330 0.000106 0.000006 -0.014910 0Rh 5s -0.005394 0.002284 -0.012033 -0.000795 0.000435 0.066554 0Rh 6s 0.006150 -0.003289 0.040866 0.001703 -0.000905 -0.162021 0Rh 7s -0.009460 0.006725 -0.140685 -0.006737 0.003519 0.694194 0Rh 8s 0.129900 -0.000341 -0.272978 0.002816 0.000504 -0.106768 0Rh 1pz 0.000177 -0.002625 -0.000475 -0.000101 0.000022 0.000582 0Rh 1px -0.000376 -0.000881 0.001627 -0.000000 -0.000015 -0.001581 0Rh 1py 0.002630 0.000081 0.000462 -0.000084 0.000018 -0.000288 0Rh 2pz -0.000817 0.011925 0.002283 0.000455 -0.000097 -0.002754 0Rh 2px 0.001735 0.004002 -0.007772 -0.000002 0.000072 0.007540 0Rh 2py -0.011943 -0.000366 -0.002162 0.000379 -0.000082 0.001378 0Rh 3pz 0.004058 -0.055816 -0.013232 -0.002045 0.000485 0.015802 0Rh 3px -0.008682 -0.018740 0.044114 0.000092 -0.000401 -0.044635 0Rh 3py 0.055934 0.001739 0.011391 -0.001707 0.000339 -0.008205 0Rh 4pz -0.009001 0.116147 0.034945 0.003939 -0.001176 -0.041694 0Rh 4px 0.019676 0.039038 -0.114183 -0.000500 0.001000 0.121098 0Rh 4py -0.116610 -0.003742 -0.027039 0.003428 -0.000614 0.022455 0Rh 5pz 0.010259 -0.132782 -0.047606 -0.003625 0.002152 0.056978 0Rh 5px -0.023520 -0.045316 0.150948 0.001088 -0.001008 -0.169642 0Rh 5py 0.133938 0.004519 0.030481 -0.004066 0.000630 -0.033048 0Rh 6pz 0.025699 0.105493 -0.059870 0.000668 -0.012562 0.065614 0Rh 6px -0.039151 0.053914 0.323704 0.002287 -0.012646 -0.108922 0Rh 6py -0.107049 -0.000929 0.140737 -0.002690 0.019612 0.047857 0Rh 1dz2 -0.033601 0.338335 0.245788 -0.236133 0.235759 0.239710 0Rh 1dxz 0.060579 -0.519958 0.338574 0.027735 -0.033989 0.330853 0Rh 1dyz -0.196956 -0.134384 0.046609 -0.570115 0.572010 0.048161 0Rh 1dx2y2 -0.159166 -0.196207 -0.494162 -0.076496 0.087040 -0.491746 0Rh 1dxy 0.610359 -0.015480 -0.133568 -0.223076 0.223807 -0.167324 0Rh 2dz2 0.070064 -0.705196 -0.516440 0.498474 -0.498466 -0.508925 0Rh 2dxz -0.126443 1.084424 -0.711955 -0.058529 0.071820 -0.702962 0Rh 2dyz 0.410559 0.280160 -0.098043 1.203678 -1.209601 -0.102374 0Rh 2dx2y2 0.331691 0.408861 1.038544 0.161521 -0.184055 1.044282 0Rh 2dxy -1.272374 0.032367 0.280774 0.470993 -0.473289 0.355497 0Rh 3dz2 -0.064794 0.654131 0.490996 -0.480889 0.483420 0.499208 0Rh 3dxz 0.117489 -1.006894 0.677720 0.056309 -0.069357 0.690348 0Rh 3dyz -0.380971 -0.260059 0.093616 -1.161432 1.173497 0.100843 0Rh 3dx2y2 -0.307739 -0.379091 -0.987836 -0.155760 0.178409 -1.024935 0Rh 3dxy 1.180483 -0.029936 -0.267073 -0.454426 0.459126 -0.349141 0Rh 4dz2 0.036662 -0.374033 -0.310409 0.316324 -0.324954 -0.342044 0Rh 4dxz -0.067435 0.577066 -0.429726 -0.036706 0.045677 -0.474466 0Rh 4dyz 0.218091 0.148845 -0.060468 0.763940 -0.789850 -0.069933 0Rh 4dx2y2 0.175578 0.216067 0.625464 0.102346 -0.119895 0.703759 0Rh 4dxy -0.674720 0.016849 0.170403 0.298834 -0.308982 0.239989 0Rh 5dz2 -0.021361 0.180787 0.287567 -0.268141 0.293028 0.258072 0Rh 5dxz 0.027948 -0.278818 0.397337 0.030667 -0.038590 0.360652 0Rh 5dyz -0.109358 -0.072186 0.063306 -0.647609 0.716605 0.053120 0Rh 5dx2y2 -0.076742 -0.103060 -0.581323 -0.087808 0.109749 -0.534160 0Rh 5dxy 0.326162 -0.007391 -0.177548 -0.253432 0.280751 -0.181773 0Rh 1f0 0.000312 0.003131 0.009878 0.000462 0.001940 -0.004871 0Rh 1f+1 0.000421 0.005700 -0.007755 -0.000281 -0.002254 0.004192 0Rh 1f-1 0.000676 -0.000865 -0.000374 0.000383 0.002902 0.001441 0Rh 1f+2 0.003071 -0.002544 -0.011664 0.000201 0.001821 0.006706 0Rh 1f-2 -0.001255 -0.001306 -0.004369 -0.001095 -0.005687 0.002790 0Rh 1f+3 0.003767 0.001160 -0.013970 0.000141 0.000755 0.007732 0Rh 1f-3 -0.004997 0.000522 -0.009404 0.000479 0.003544 0.004745 1Rh 1s -0.000128 0.000055 -0.000114 0.000009 0.000011 -0.000194 1Rh 2s -0.000163 0.000084 -0.000356 0.000005 0.000026 0.001725 1Rh 3s -0.000909 0.000400 -0.000938 0.000063 0.000089 -0.000288 1Rh 4s -0.000732 0.000258 -0.000339 0.000106 0.000002 -0.014898 1Rh 5s 0.005255 -0.002328 0.012088 -0.000779 -0.000486 0.066463 1Rh 6s -0.005924 0.003357 -0.040955 0.001662 0.000984 -0.161876 1Rh 7s 0.008578 -0.006847 0.141051 -0.006534 -0.004041 0.693728 1Rh 8s -0.130095 -0.000216 0.272650 0.003215 -0.000086 -0.106422 1Rh 1pz 0.000163 -0.002628 -0.000475 0.000104 0.000022 -0.000575 1Rh 1px -0.000384 -0.000883 0.001624 0.000002 -0.000017 0.001582 1Rh 1py 0.002634 0.000087 0.000460 0.000082 0.000015 0.000287 1Rh 2pz -0.000757 0.011941 0.002280 -0.000465 -0.000098 0.002725 1Rh 2px 0.001773 0.004013 -0.007758 -0.000006 0.000080 -0.007545 1Rh 2py -0.011960 -0.000391 -0.002152 -0.000371 -0.000067 -0.001375 1Rh 3pz 0.003836 -0.055876 -0.013217 0.002089 0.000489 -0.015672 1Rh 3px -0.008844 -0.018780 0.044053 -0.000054 -0.000437 0.044656 1Rh 3py 0.055997 0.001834 0.011345 0.001676 0.000275 0.008193 1Rh 4pz -0.008766 0.116229 0.034927 -0.004024 -0.001193 0.041449 1Rh 4px 0.019952 0.039098 -0.114066 0.000419 0.001076 -0.121132 1Rh 4py -0.116679 -0.003851 -0.026939 -0.003388 -0.000492 -0.022423 1Rh 5pz 0.010737 -0.132727 -0.047683 0.003718 0.002197 -0.056740 1Rh 5px -0.023627 -0.045308 0.150811 -0.001011 -0.001112 0.169672 1Rh 5py 0.133828 0.004329 0.030361 0.004066 0.000495 0.032978 1Rh 6pz 0.018674 0.103382 -0.056585 -0.000972 -0.013118 -0.066553 1Rh 6px -0.041140 0.052948 0.324819 -0.001609 -0.012303 0.108247 1Rh 6py -0.105413 0.002605 0.139883 0.002799 0.019393 -0.046680 1Rh 1dz2 0.039162 -0.337630 -0.246187 -0.237035 -0.234388 0.239793 1Rh 1dxz -0.069158 0.518237 -0.337570 0.027641 0.033793 0.330734 1Rh 1dyz 0.194100 0.132503 -0.046307 -0.572757 -0.569689 0.048264 1Rh 1dx2y2 0.155412 0.193604 0.494377 -0.076550 -0.086772 -0.491802 1Rh 1dxy -0.608399 0.019653 0.134222 -0.224099 -0.222587 -0.167495 1Rh 2dz2 -0.081655 0.703728 0.517282 0.500379 0.495570 -0.509103 1Rh 2dxz 0.144336 -1.080837 0.709843 -0.058331 -0.071406 -0.702711 1Rh 2dyz -0.404605 -0.276237 0.097409 1.209261 1.204698 -0.102593 1Rh 2dx2y2 -0.323871 -0.403434 -1.039001 0.161636 0.183488 1.044405 1Rh 2dxy 1.268292 -0.041076 -0.282152 0.473155 0.470711 0.355862 1Rh 3dz2 0.075564 -0.652773 -0.491806 -0.482734 -0.480622 0.499388 1Rh 3dxz -0.134135 1.003565 -0.675709 0.056121 0.068958 0.690110 1Rh 3dyz 0.375439 0.256407 -0.093009 -1.166833 -1.168753 0.101057 1Rh 3dx2y2 0.300479 0.374045 0.988285 -0.155873 -0.177857 -1.025068 1Rh 3dxy -1.176694 0.038051 0.268391 -0.456516 -0.456633 -0.349501 1Rh 4dz2 -0.042969 0.373241 0.310941 0.317558 0.323100 -0.342178 1Rh 4dxz 0.077231 -0.575125 0.428449 -0.036594 -0.045415 -0.474329 1Rh 4dyz -0.214848 -0.146693 0.060072 0.767527 0.786693 -0.070070 1Rh 4dx2y2 -0.171337 -0.213106 -0.625778 0.102422 0.119519 0.703884 1Rh 4dxy 0.672509 -0.021652 -0.171250 0.300212 0.307323 0.240246 1Rh 5dz2 0.025240 -0.180236 -0.287982 -0.269245 -0.291407 0.258189 1Rh 5dxz -0.034178 0.277664 -0.396399 0.030601 0.038382 0.360708 1Rh 5dyz 0.107160 0.070761 -0.062979 -0.650665 -0.713793 0.053222 1Rh 5dx2y2 0.074040 0.101192 0.581583 -0.087795 -0.109366 -0.534369 1Rh 5dxy -0.324862 0.010470 0.178179 -0.254526 -0.279272 -0.182024 1Rh 1f0 0.000420 0.003175 0.009862 -0.000445 0.001949 0.004856 1Rh 1f+1 0.000588 0.005736 -0.007759 0.000266 -0.002246 -0.004215 1Rh 1f-1 0.000676 -0.000862 -0.000360 -0.000362 0.002910 -0.001436 1Rh 1f+2 0.003010 -0.002526 -0.011672 -0.000191 0.001827 -0.006693 1Rh 1f-2 -0.001351 -0.001345 -0.004385 0.001077 -0.005683 -0.002773 1Rh 1f+3 0.003838 0.001210 -0.013942 -0.000147 0.000761 -0.007738 1Rh 1f-3 -0.004999 0.000454 -0.009411 -0.000472 0.003534 -0.004751 2C 1s -0.002640 0.003369 -0.000496 0.002099 -0.001134 0.000960 2C 2s 0.001909 -0.002419 0.000330 -0.001970 0.000632 -0.000848 2C 3s -0.067057 0.084233 -0.006140 0.116982 0.000299 0.055951 2C 4s 0.440103 -0.553657 0.042298 -0.681827 0.001487 -0.297600 2C 5s -0.451468 0.663205 0.016272 -0.019616 0.104921 -0.136068 2C 1pz -0.004057 0.006942 -0.001452 0.012170 -0.000421 0.009761 2C 1px -0.001253 0.003280 -0.000166 0.001171 0.001796 0.003694 2C 1py -0.005121 0.001566 -0.000534 0.008435 0.000457 0.005964 2C 2pz 0.244883 -0.318425 0.023632 -0.356169 -0.016021 -0.198377 2C 2px 0.052320 -0.087887 0.044793 -0.065259 0.013446 -0.061198 2C 2py 0.176126 -0.188236 0.026460 -0.241388 -0.004028 -0.126047 2C 3pz -0.100511 0.113358 0.014200 -0.043561 0.024357 -0.052183 2C 3px -0.030087 0.040787 -0.062132 -0.059824 -0.026740 0.016202 2C 3py -0.025611 0.098108 -0.005414 -0.022644 0.006209 -0.040352 2C 1dz2 0.009192 -0.005065 -0.001637 -0.008903 -0.002603 -0.003450 2C 1dxz 0.004059 -0.003652 0.003937 -0.003550 0.002745 -0.002833 2C 1dyz 0.006039 -0.011604 0.001460 -0.014181 0.000487 -0.004503 2C 1dx2y2 -0.002194 0.006964 0.001141 0.002945 0.001988 0.003228 2C 1dxy 0.001632 -0.000656 0.002950 -0.003487 0.002309 -0.000403 2C 2dz2 0.043754 -0.083243 0.008660 -0.078298 0.000764 -0.045335 2C 2dxz 0.016093 -0.018258 -0.006128 -0.042234 -0.011247 -0.006981 2C 2dyz 0.101779 -0.112391 0.017410 -0.115300 -0.006933 -0.082335 2C 2dx2y2 -0.030489 0.014432 0.003153 0.035566 0.000577 0.012215 2C 2dxy 0.014116 -0.030990 -0.000728 -0.023057 -0.008142 -0.020845 2C 1f0 0.001807 -0.006624 0.001430 -0.004618 0.001975 -0.002224 2C 1f+1 0.006068 -0.008832 0.001634 -0.005269 -0.000797 -0.005859 2C 1f-1 0.012812 -0.016188 0.000411 -0.021904 -0.000575 -0.009819 2C 1f+2 -0.010888 0.011639 -0.001826 0.011606 -0.001507 0.008325 2C 1f-2 0.005012 -0.006384 -0.000325 -0.009551 -0.000477 -0.004785 2C 1f+3 0.000600 -0.000728 0.000613 -0.001693 -0.002018 -0.000457 2C 1f-3 0.004426 -0.004539 0.002119 -0.000644 0.001238 -0.003564 3C 1s 0.003355 0.002716 -0.000029 -0.002163 0.000851 0.000784 3C 2s -0.002390 -0.001966 -0.000065 0.002010 -0.000499 -0.000730 3C 3s 0.081687 0.067747 0.012998 -0.117876 0.003625 0.053568 3C 4s -0.538979 -0.445142 -0.073200 0.687857 -0.021019 -0.284743 3C 5s 0.652773 0.470852 0.072800 0.025162 -0.064212 -0.125358 3C 1pz 0.000166 0.004256 0.000373 -0.008358 0.000606 0.003747 3C 1px 0.002032 0.002560 0.000955 -0.003951 -0.001675 0.004357 3C 1py -0.007503 -0.004363 -0.000856 0.011850 -0.000636 -0.010260 3C 2pz -0.145408 -0.152202 -0.031530 0.220441 0.005048 -0.093794 3C 2px -0.125302 -0.103284 0.018583 0.132707 -0.017631 -0.078986 3C 2py 0.319332 0.250707 0.040841 -0.356857 -0.002536 0.202421 3C 3pz 0.071070 0.017311 0.021831 -0.009844 -0.018078 -0.052070 3C 3px 0.071713 0.031261 -0.047035 0.046924 0.026518 0.000023 3C 3py -0.116908 -0.109009 -0.015659 -0.060497 0.013770 0.041544 3C 1dz2 -0.001778 0.004210 -0.001415 -0.003653 0.001138 -0.000385 3C 1dxz -0.005916 -0.002611 -0.000052 0.003878 0.000023 -0.002809 3C 1dyz 0.009308 0.005474 0.002057 -0.012863 -0.000870 0.003470 3C 1dx2y2 0.006599 0.008446 0.003571 -0.008156 -0.002447 0.004401 3C 1dxy 0.006879 0.004742 -0.003525 -0.007668 0.004016 0.002898 3C 2dz2 0.039412 0.002839 0.004500 -0.024327 -0.003781 0.019191 3C 2dxz -0.020049 -0.029165 -0.011122 0.039138 0.005401 -0.016581 3C 2dyz 0.109014 0.094385 0.007556 -0.098489 0.002633 0.080120 3C 2dx2y2 0.063697 0.045600 0.006679 -0.081482 0.004057 0.034455 3C 2dxy 0.050177 0.048943 0.008948 -0.070942 -0.010854 0.032063 3C 1f0 0.006512 0.004959 0.000888 -0.012233 -0.000635 0.003325 3C 1f+1 -0.003185 -0.003530 0.000823 -0.000228 -0.002065 -0.002867 3C 1f-1 0.000259 0.003253 0.000247 -0.000271 -0.000448 0.001744 3C 1f+2 0.011715 0.009652 0.002483 -0.016860 0.002098 0.007442 3C 1f-2 0.011880 0.010876 0.001242 -0.013017 0.000300 0.008064 3C 1f+3 -0.011532 -0.009563 -0.001674 0.011699 0.001078 -0.007355 3C 1f-3 0.009668 0.005846 -0.000477 -0.005695 0.001963 0.005566 4C 1s -0.004294 0.005440 -0.000715 0.007406 -0.000454 0.002534 4C 2s 0.001806 -0.002321 0.000352 -0.003260 0.000243 -0.000637 4C 3s 0.098296 -0.134593 0.008553 -0.240707 0.000816 -0.158055 4C 4s -0.347466 0.482913 -0.020937 0.964040 0.013568 0.757921 4C 5s 0.177892 -0.259523 0.061855 0.146427 -0.043761 0.232382 4C 1pz -0.012230 0.015855 0.000449 0.011226 -0.003017 -0.001530 4C 1px -0.002084 0.003909 -0.005724 0.001917 0.010495 -0.000529 4C 1py -0.009263 0.009156 -0.002089 0.007463 0.001785 -0.001006 4C 2pz 0.258960 -0.282497 -0.037939 -0.241351 -0.008693 -0.029903 4C 2px 0.023608 -0.096916 0.236486 -0.057328 0.001845 -0.004449 4C 2py 0.153901 -0.205963 0.065678 -0.164473 -0.003305 -0.016932 4C 3pz -0.250828 0.439717 -0.027700 -0.209441 0.058270 0.042302 4C 3px -0.069014 0.060014 0.103667 -0.032595 -0.089134 0.028847 4C 3py -0.236621 0.249203 0.019292 -0.141818 0.004871 0.043901 4C 1dz2 0.012776 -0.008453 -0.000690 -0.012379 -0.000959 -0.006196 4C 1dxz 0.006629 -0.007506 0.004271 -0.010171 0.002817 -0.006004 4C 1dyz 0.011416 -0.019097 0.001536 -0.014705 0.000112 -0.000155 4C 1dx2y2 -0.004425 0.012179 -0.000795 0.014229 0.000061 0.011756 4C 1dxy 0.001071 -0.002891 0.002410 0.001241 0.001826 0.005254 4C 2dz2 -0.111185 0.126132 -0.081269 0.093215 -0.030820 0.072317 4C 2dxz -0.072982 0.046518 0.101723 -0.004735 0.048396 0.012458 4C 2dyz -0.159787 0.219378 -0.024853 0.212913 -0.001036 0.128598 4C 2dx2y2 0.045270 -0.067003 0.020679 0.032705 0.004729 -0.003903 4C 2dxy -0.042393 0.042787 0.085910 0.081249 0.040372 0.039328 4C 1f0 0.008092 -0.007536 -0.004012 -0.017142 -0.012375 -0.010353 4C 1f+1 0.011868 -0.016193 0.006167 -0.035444 0.012352 -0.017742 4C 1f-1 0.011650 -0.012607 -0.005758 -0.023625 -0.005396 -0.012982 4C 1f+2 -0.010048 0.018504 -0.005710 0.034674 0.007649 0.019074 4C 1f-2 0.002485 -0.005980 0.015128 -0.008243 0.015550 -0.003882 4C 1f+3 0.000008 0.000577 -0.002689 0.000592 0.011715 0.001011 4C 1f-3 0.009026 -0.012345 -0.008478 -0.027659 0.001301 -0.013716 5C 1s 0.005332 0.004294 0.000432 -0.007447 0.000388 0.002441 5C 2s -0.002275 -0.001806 -0.000216 0.003273 -0.000194 -0.000587 5C 3s -0.134486 -0.101808 -0.018081 0.242910 0.000291 -0.151746 5C 4s 0.486900 0.365017 0.085121 -0.975474 -0.018631 0.729117 5C 5s -0.255480 -0.179656 -0.029310 -0.154099 0.004052 0.215759 5C 1pz 0.007533 0.008385 0.002412 -0.006322 0.003721 -0.001104 5C 1px 0.005379 0.005433 -0.005024 -0.004601 -0.009904 -0.000674 5C 1py -0.015416 -0.012350 -0.002889 0.011249 -0.002770 0.001817 5C 2pz -0.160628 -0.147102 -0.085464 0.140361 -0.002722 -0.019285 5C 2px -0.132256 -0.071528 0.210105 0.099904 -0.013938 0.008528 5C 2py 0.279546 0.256866 0.067459 -0.244882 0.008621 0.032939 5C 3pz 0.243004 0.216800 -0.015687 0.131566 -0.045254 0.043287 5C 3px 0.095950 0.127363 0.104177 0.075842 0.079804 0.009237 5C 3py -0.439411 -0.270326 -0.002572 -0.204481 0.040727 -0.051876 5C 1dz2 -0.002721 0.003526 -0.001591 0.003396 0.001147 -0.005535 5C 1dxz -0.010652 -0.004078 0.000033 0.011332 -0.001347 -0.007871 5C 1dyz 0.015763 0.009612 0.001891 -0.010655 -0.000849 -0.002351 5C 1dx2y2 0.011965 0.013691 0.003516 -0.017474 -0.001522 0.010398 5C 1dxy 0.011250 0.007637 -0.001877 -0.011374 0.002753 0.003127 5C 2dz2 -0.031612 -0.045237 -0.046693 0.089939 0.021003 -0.046194 5C 2dxz 0.066438 0.055342 0.063207 -0.007517 -0.023800 0.027903 5C 2dyz -0.196732 -0.136856 0.031964 0.213470 -0.025411 -0.113174 5C 2dx2y2 -0.119029 -0.111158 0.054608 0.039728 -0.037304 -0.043295 5C 2dxy -0.107862 -0.106313 -0.118720 0.087969 0.048414 -0.069642 5C 1f0 0.001110 0.002194 0.006114 0.000698 0.004640 0.001553 5C 1f+1 -0.009739 -0.006408 -0.007275 0.020787 -0.001824 -0.011041 5C 1f-1 0.000963 -0.000733 0.007219 -0.002929 -0.007404 0.001063 5C 1f+2 0.007865 0.007415 0.004259 -0.016361 -0.014377 0.007575 5C 1f-2 0.018137 0.010391 -0.011956 -0.032914 0.007694 0.015642 5C 1f+3 -0.017807 -0.014212 -0.001507 0.035442 -0.014129 -0.018930 5C 1f-3 0.014144 0.013079 0.010063 -0.034025 -0.015086 0.016138 6C 1s -0.005366 -0.004303 -0.000443 -0.007446 -0.000363 0.002431 6C 2s 0.002290 0.001810 0.000221 0.003271 0.000183 -0.000583 6C 3s 0.133774 0.101660 0.017655 0.242932 -0.001351 -0.152438 6C 4s -0.482094 -0.363848 -0.082702 -0.975547 0.023243 0.733142 6C 5s 0.259113 0.180865 0.030378 -0.154186 -0.004246 0.217756 6C 1pz 0.007578 0.008409 0.002433 0.006343 0.003713 0.001108 6C 1px 0.005261 0.005372 -0.005050 0.004558 -0.009936 0.000662 6C 1py -0.015472 -0.012343 -0.002911 -0.011246 -0.002732 -0.001837 6C 2pz -0.161876 -0.147102 -0.086526 -0.140334 -0.002340 0.018522 6C 2px -0.131897 -0.071885 0.211892 -0.099947 -0.013176 -0.008083 6C 2py 0.281334 0.256871 0.068420 0.244743 0.007771 -0.031816 6C 3pz 0.241365 0.217131 -0.016769 -0.131191 -0.045363 -0.044454 6C 3px 0.094021 0.126208 0.105206 -0.075052 0.080078 -0.009345 6C 3py -0.436661 -0.270381 -0.000957 0.204238 0.040907 0.053824 6C 1dz2 0.002716 -0.003513 0.001604 0.003375 -0.001152 -0.005547 6C 1dxz 0.010541 0.004039 -0.000103 0.011339 0.001295 -0.007930 6C 1dyz -0.015855 -0.009636 -0.001945 -0.010652 0.000875 -0.002398 6C 1dx2y2 -0.012013 -0.013714 -0.003542 -0.017467 0.001580 0.010424 6C 1dxy -0.011113 -0.007592 0.001977 -0.011389 -0.002693 0.003168 6C 2dz2 0.030866 0.045058 0.046633 0.089940 -0.021463 -0.046567 6C 2dxz -0.066730 -0.055205 -0.063756 -0.007300 0.023676 0.027434 6C 2dyz 0.196574 0.136869 -0.032363 0.213534 0.024516 -0.113455 6C 2dx2y2 0.120228 0.111387 -0.054407 0.039794 0.037259 -0.042753 6C 2dxy 0.108368 0.105997 0.119256 0.087841 -0.048651 -0.069315 6C 1f0 0.001252 0.002145 0.006192 -0.000659 0.004652 -0.001474 6C 1f+1 -0.009690 -0.006345 -0.007247 -0.020800 -0.001722 0.011110 6C 1f-1 0.000913 -0.000731 0.007245 0.002895 -0.007413 -0.001062 6C 1f+2 0.007844 0.007447 0.004229 0.016266 -0.014441 -0.007571 6C 1f-2 0.018121 0.010414 -0.012097 0.032958 0.007524 -0.015772 6C 1f+3 -0.017549 -0.014161 -0.001496 -0.035501 -0.013982 0.019040 6C 1f-3 0.014056 0.013049 0.009985 0.033968 -0.015238 -0.016247 7C 1s 0.004309 -0.005445 0.000722 0.007414 0.000437 0.002540 7C 2s -0.001814 0.002322 -0.000356 -0.003263 -0.000237 -0.000642 7C 3s -0.097585 0.134761 -0.008038 -0.240957 0.000171 -0.158842 7C 4s 0.343120 -0.483783 0.018174 0.965009 -0.017904 0.762063 7C 5s -0.180893 0.258854 -0.063479 0.145946 0.043722 0.233022 7C 1pz -0.012089 0.015866 0.000463 -0.011217 -0.002970 0.001517 7C 1px -0.002169 0.003898 -0.005734 -0.001847 0.010516 0.000541 7C 1py -0.009301 0.009269 -0.002095 -0.007496 0.001819 0.001003 7C 2pz 0.257720 -0.282855 -0.038287 0.240928 -0.009528 0.029512 7C 2px 0.024259 -0.096678 0.238530 0.057251 0.000985 0.003380 7C 2py 0.154697 -0.207622 0.066360 0.165354 -0.004174 0.016742 7C 3pz -0.247930 0.439027 -0.027800 0.209421 0.058854 -0.043023 7C 3px -0.068603 0.059220 0.105020 0.032161 -0.089605 -0.029542 7C 3py -0.235332 0.249376 0.020085 0.141716 0.005109 -0.043974 7C 1dz2 -0.012720 0.008477 0.000722 -0.012405 0.000991 -0.006250 7C 1dxz -0.006745 0.007534 -0.004302 -0.010214 -0.002754 -0.005996 7C 1dyz -0.011434 0.019038 -0.001533 -0.014698 -0.000059 -0.000146 7C 1dx2y2 0.004338 -0.012167 0.000768 0.014247 -0.000085 0.011851 7C 1dxy -0.001188 0.002897 -0.002507 0.001228 -0.001825 0.005324 7C 2dz2 0.110304 -0.125827 0.081557 0.092758 0.030370 0.071479 7C 2dxz 0.073284 -0.046521 -0.102049 -0.005360 -0.048193 0.012040 7C 2dyz 0.159778 -0.219895 0.024768 0.213568 0.000182 0.129250 7C 2dx2y2 -0.045590 0.067915 -0.021144 0.032185 -0.005041 -0.003997 7C 2dxy 0.041851 -0.043059 -0.086576 0.080987 -0.040662 0.039695 7C 1f0 0.007994 -0.007373 -0.004021 0.016953 -0.012431 0.010302 7C 1f+1 0.011657 -0.016185 0.006034 0.035410 0.012196 0.017801 7C 1f-1 0.011535 -0.012665 -0.005826 0.023603 -0.005503 0.013032 7C 1f+2 -0.010044 0.018594 -0.005733 -0.034771 0.007826 -0.019240 7C 1f-2 0.002514 -0.005916 0.015148 0.008350 0.015518 0.003867 7C 1f+3 0.000172 0.000596 -0.002753 -0.000554 0.011757 -0.001029 7C 1f-3 0.008999 -0.012373 -0.008623 0.027791 0.001214 0.013910 8C 1s -0.003348 -0.002712 0.000030 -0.002164 -0.000863 0.000792 8C 2s 0.002386 0.001963 0.000064 0.002010 0.000503 -0.000735 8C 3s -0.081796 -0.067735 -0.013035 -0.117863 -0.003163 0.053567 8C 4s 0.539875 0.445033 0.073529 0.687733 0.018374 -0.284606 8C 5s -0.651325 -0.471468 -0.072112 0.024759 0.066773 -0.124077 8C 1pz 0.000180 0.004256 0.000388 0.008331 0.000572 -0.003771 8C 1px 0.002058 0.002588 0.000932 0.003925 -0.001683 -0.004398 8C 1py -0.007494 -0.004340 -0.000848 -0.011874 -0.000594 0.010227 8C 2pz -0.145692 -0.152133 -0.031675 -0.220107 0.006020 0.093996 8C 2px -0.126152 -0.103778 0.018646 -0.132660 -0.017096 0.079357 8C 2py 0.319527 0.250304 0.040836 0.356965 -0.004036 -0.202030 8C 3pz 0.070635 0.017204 0.021735 0.009465 -0.018444 0.051663 8C 3px 0.072439 0.032030 -0.047309 -0.047732 0.026644 -0.000710 8C 3py -0.116390 -0.108924 -0.015513 0.059801 0.013897 -0.041613 8C 1dz2 0.001762 -0.004224 0.001432 -0.003652 -0.001156 -0.000367 8C 1dxz 0.005919 0.002621 0.000049 0.003879 -0.000029 -0.002800 8C 1dyz -0.009313 -0.005452 -0.002034 -0.012862 0.000909 0.003469 8C 1dx2y2 -0.006573 -0.008437 -0.003587 -0.008142 0.002500 0.004405 8C 1dxy -0.006938 -0.004759 0.003503 -0.007676 -0.003964 0.002900 8C 2dz2 -0.039493 -0.002846 -0.004343 -0.024344 0.003901 0.019192 8C 2dxz 0.020126 0.028898 0.011111 0.039135 -0.005604 -0.016521 8C 2dyz -0.109079 -0.094372 -0.007456 -0.098566 -0.002161 0.080041 8C 2dx2y2 -0.063955 -0.045606 -0.006782 -0.081317 -0.003653 0.034639 8C 2dxy -0.050087 -0.048944 -0.008990 -0.070955 0.011182 0.031975 8C 1f0 0.006485 0.004955 0.000905 0.012210 -0.000751 -0.003346 8C 1f+1 -0.003185 -0.003509 0.000825 0.000250 -0.002037 0.002832 8C 1f-1 0.000239 0.003229 0.000224 0.000291 -0.000458 -0.001737 8C 1f+2 0.011673 0.009627 0.002484 0.016847 0.002043 -0.007455 8C 1f-2 0.011935 0.010896 0.001264 0.013050 0.000299 -0.008065 8C 1f+3 -0.011582 -0.009565 -0.001653 -0.011682 0.001118 0.007338 8C 1f-3 0.009678 0.005838 -0.000496 0.005718 0.001953 -0.005570 9C 1s 0.002632 -0.003368 0.000498 0.002097 0.001152 0.000974 9C 2s -0.001902 0.002421 -0.000330 -0.001969 -0.000638 -0.000857 9C 3s 0.066798 -0.084497 0.005926 0.117106 -0.000768 0.056141 9C 4s -0.438805 0.555065 -0.041403 -0.682460 0.001120 -0.298513 9C 5s 0.450473 -0.662470 -0.016973 -0.018938 -0.107690 -0.135473 9C 1pz -0.003957 0.006927 -0.001408 -0.012184 -0.000369 -0.009715 9C 1px -0.001221 0.003262 -0.000189 -0.001134 0.001796 -0.003688 9C 1py -0.005143 0.001719 -0.000562 -0.008440 0.000492 -0.006077 9C 2pz 0.243053 -0.318187 0.023132 0.355952 -0.017608 0.197767 9C 2px 0.051446 -0.087519 0.044973 0.064909 0.013161 0.061005 9C 2py 0.176711 -0.190955 0.026778 0.242378 -0.005207 0.127684 9C 3pz -0.100219 0.112158 0.014562 0.042358 0.024720 0.052624 9C 3px -0.029544 0.040613 -0.062747 0.060012 -0.027029 -0.016311 9C 3py -0.026227 0.099158 -0.006013 0.024416 0.006423 0.039416 9C 1dz2 -0.009184 0.005031 0.001628 -0.008838 0.002627 -0.003445 9C 1dxz -0.004028 0.003642 -0.003900 -0.003536 -0.002681 -0.002832 9C 1dyz -0.006032 0.011638 -0.001442 -0.014227 -0.000403 -0.004522 9C 1dx2y2 0.002264 -0.006979 -0.001126 0.002989 -0.001991 0.003244 9C 1dxy -0.001578 0.000636 -0.003013 -0.003492 -0.002379 -0.000404 9C 2dz2 -0.043007 0.083201 -0.008637 -0.077547 -0.000390 -0.045321 9C 2dxz -0.015663 0.018076 0.006296 -0.041705 0.011380 -0.006951 9C 2dyz -0.101598 0.112961 -0.017369 -0.115955 0.007567 -0.082431 9C 2dx2y2 0.030423 -0.015133 -0.003210 0.036128 -0.000809 0.012354 9C 2dxy -0.013773 0.030772 0.000612 -0.023175 0.008329 -0.020589 9C 1f0 0.001728 -0.006554 0.001420 0.004440 0.001960 0.002227 9C 1f+1 0.005963 -0.008784 0.001681 0.005201 -0.000752 0.005835 9C 1f-1 0.012726 -0.016237 0.000379 0.021894 -0.000695 0.009834 9C 1f+2 -0.010955 0.011791 -0.001787 -0.011837 -0.001525 -0.008389 9C 1f-2 0.004924 -0.006369 -0.000368 0.009471 -0.000533 0.004818 9C 1f+3 0.000567 -0.000747 0.000591 0.001721 -0.002074 0.000471 9C 1f-3 0.004424 -0.004564 0.002165 0.000675 0.001148 0.003515 10H 1s -0.004218 0.006394 -0.002357 -0.001476 0.000129 0.002096 10H 2s 0.000842 0.014454 -0.023487 -0.001666 -0.022454 0.024954 10H 3s 0.038994 -0.063226 0.031749 0.010857 0.014341 -0.021486 10H 1pz -0.003053 0.006243 -0.003601 0.006474 -0.002352 0.001931 10H 1px 0.001819 -0.004567 0.004357 0.001192 0.005908 -0.004550 10H 1py -0.001520 0.004951 -0.001740 0.003959 -0.001094 0.001533 11H 1s 0.002641 -0.002981 0.002264 0.003629 0.002022 -0.006194 11H 2s 0.000425 -0.026939 0.010205 0.002087 -0.015080 -0.005731 11H 3s 0.015039 -0.036507 -0.026222 -0.065763 -0.022624 0.031948 11H 1pz -0.008690 0.003089 0.000702 0.004921 -0.003726 0.002963 11H 1px 0.000912 -0.004246 0.002442 0.004929 -0.001401 -0.004407 11H 1py -0.006165 0.005104 -0.002216 0.000455 -0.000364 0.003751 12H 1s -0.000261 -0.000066 0.001915 0.001791 0.002141 -0.003036 12H 2s 0.007648 -0.001996 0.013449 -0.005172 -0.012997 0.009770 12H 3s 0.040348 -0.037432 -0.025955 -0.042329 -0.026693 0.016120 12H 1pz -0.003015 0.008283 -0.001170 0.003331 -0.002380 0.003068 12H 1px 0.001305 -0.001967 0.002168 0.003267 -0.001255 -0.002858 12H 1py -0.002290 0.006763 0.002738 0.003503 -0.002411 0.003410 13H 1s 0.005701 0.003799 -0.000722 0.001230 0.000472 0.002384 13H 2s 0.020112 0.003123 -0.019595 0.002905 0.020152 0.021539 13H 3s -0.065622 -0.044502 0.018128 -0.007483 -0.019742 -0.018764 13H 1pz 0.008522 0.003420 -0.002821 -0.003212 0.004367 0.003833 13H 1px -0.001871 -0.001181 0.002403 -0.001987 -0.004456 -0.002486 13H 1py -0.005550 -0.002773 0.001985 0.006286 -0.000716 -0.000284 14H 1s 0.001213 0.001327 0.001897 -0.000934 -0.001676 -0.001874 14H 2s -0.002690 -0.009664 0.013568 0.005777 0.007136 0.013026 14H 3s -0.036704 -0.039694 -0.030588 0.032303 0.024333 0.008193 14H 1pz 0.007593 0.002839 0.002508 -0.001747 0.000914 0.004924 14H 1px 0.000752 -0.000320 0.003348 -0.003564 0.001071 -0.000196 14H 1py -0.006337 -0.002251 -0.000323 0.004312 -0.002703 -0.001618 15H 1s -0.003843 -0.003042 0.000695 -0.004009 -0.001641 -0.006914 15H 2s -0.032204 -0.005480 0.004365 -0.005267 0.012238 -0.012741 15H 3s -0.029277 -0.011457 -0.019541 0.070409 0.016070 0.035728 15H 1pz 0.007961 0.007774 -0.000677 0.002092 0.000035 0.006896 15H 1px -0.000859 0.001598 0.000369 -0.003379 0.000377 -0.001655 15H 1py -0.000917 -0.007449 -0.001778 0.006648 -0.003537 -0.000236 16H 1s 0.000789 0.001052 0.009828 -0.010362 0.012073 0.007618 16H 2s -0.038291 0.022180 -0.102558 -0.007440 0.008033 -0.078636 16H 3s -0.022702 0.034470 0.015430 -0.007148 0.013372 0.015520 16H 1pz -0.010427 0.003462 -0.021035 -0.005314 0.005798 -0.015157 16H 1px 0.003639 -0.009992 0.011053 0.001620 -0.002075 0.008718 16H 1py 0.002786 0.000236 0.000184 -0.001815 0.001931 0.000507 17H 1s 0.000844 -0.000456 0.009306 0.009418 -0.011200 0.007449 17H 2s -0.040110 -0.008861 -0.103607 0.009914 -0.009555 -0.080238 17H 3s -0.025554 -0.034130 0.017357 0.005154 -0.011075 0.016895 17H 1pz 0.005498 -0.005675 0.009353 -0.004229 0.004745 0.006355 17H 1px 0.010953 0.006785 0.023589 -0.005228 0.005457 0.017785 17H 1py 0.001532 0.000993 -0.003157 0.001637 -0.001675 -0.002037 18H 1s -0.000880 0.000439 -0.009280 0.009238 0.010898 0.007428 18H 2s 0.039296 0.007879 0.103779 0.009835 0.009137 -0.080475 18H 3s 0.023666 0.034161 -0.017409 0.005131 0.010801 0.017024 18H 1pz 0.005736 -0.005851 0.009557 0.004415 0.004888 -0.006518 18H 1px 0.010404 0.006471 0.023640 0.005147 0.005251 -0.017831 18H 1py 0.001768 0.001132 -0.002765 -0.001243 -0.001196 0.001773 19H 1s -0.000756 -0.001064 -0.009842 -0.010469 -0.012079 0.007634 19H 2s 0.038418 -0.022749 0.102952 -0.007239 -0.007943 -0.078937 19H 3s 0.024719 -0.033982 -0.015275 -0.007196 -0.013323 0.015272 19H 1pz -0.010364 0.003623 -0.021079 0.005103 0.005564 0.015207 19H 1px 0.004109 -0.009975 0.011158 -0.001725 -0.002193 -0.008821 19H 1py 0.002603 0.000399 -0.000225 0.002156 0.002301 -0.000234 20H 1s 0.003788 0.003006 -0.000728 -0.003975 0.001698 -0.006866 20H 2s 0.032211 0.005365 -0.004664 -0.005045 -0.012463 -0.012471 20H 3s 0.029005 0.011588 0.019800 0.069990 -0.016946 0.035351 20H 1pz 0.007955 0.007734 -0.000715 -0.002038 0.000049 -0.006829 20H 1px -0.000943 0.001543 0.000390 0.003431 0.000400 0.001734 20H 1py -0.000961 -0.007485 -0.001846 -0.006580 -0.003569 0.000322 21H 1s -0.001152 -0.001269 -0.001901 -0.000980 0.001705 -0.001966 21H 2s 0.003024 0.010053 -0.013484 0.005687 -0.007518 0.012726 21H 3s 0.036320 0.039416 0.030425 0.032985 -0.024690 0.008644 21H 1pz 0.007554 0.002795 0.002515 0.001758 0.000978 -0.004906 21H 1px 0.000658 -0.000421 0.003330 0.003610 0.001124 0.000293 21H 1py -0.006412 -0.002274 -0.000329 -0.004279 -0.002687 0.001681 22H 1s -0.005757 -0.003837 0.000740 0.001237 -0.000461 0.002413 22H 2s -0.020286 -0.003412 0.019636 0.002739 -0.020496 0.021602 22H 3s 0.066180 0.044927 -0.018112 -0.007734 0.019652 -0.019005 22H 1pz 0.008502 0.003438 -0.002815 0.003253 0.004368 -0.003789 22H 1px -0.001996 -0.001256 0.002401 0.001988 -0.004537 0.002546 22H 1py -0.005592 -0.002847 0.002018 -0.006304 -0.000766 0.000317 23H 1s 0.000175 0.000229 -0.001960 0.001878 -0.002186 -0.003191 23H 2s -0.007976 0.002571 -0.013627 -0.004992 0.013521 0.009296 23H 3s -0.040269 0.036687 0.026445 -0.043606 0.027016 0.016904 23H 1pz -0.003041 0.008415 -0.001226 -0.003238 -0.002350 -0.003200 23H 1px 0.001351 -0.002034 0.002165 -0.003291 -0.001244 0.002932 23H 1py -0.002208 0.006607 0.002813 -0.003593 -0.002550 -0.003310 24H 1s -0.002555 0.002845 -0.002278 0.003562 -0.002081 -0.006090 24H 2s -0.000074 0.026398 -0.010434 0.001718 0.015406 -0.004928 24H 3s -0.015439 0.037101 0.026656 -0.065021 0.023464 0.031219 24H 1pz -0.008760 0.003245 0.000732 -0.004842 -0.003759 -0.003139 24H 1px 0.000889 -0.004228 0.002538 -0.004910 -0.001450 0.004348 24H 1py -0.006059 0.004950 -0.002187 -0.000618 -0.000417 -0.003547 25H 1s 0.004270 -0.006433 0.002398 -0.001475 -0.000148 0.002117 25H 2s -0.000784 -0.014371 0.023553 -0.001457 0.022812 0.025129 25H 3s -0.038580 0.063498 -0.031979 0.011058 -0.014363 -0.021746 25H 1pz -0.003094 0.006249 -0.003642 -0.006488 -0.002436 -0.002013 25H 1px 0.001826 -0.004596 0.004368 -0.001157 0.005965 0.004588 25H 1py -0.001456 0.004788 -0.001666 -0.004021 -0.000992 -0.001416 26O 1s 0.000186 -0.000495 0.000111 -0.002034 -0.000722 0.000486 26O 2s 0.000201 -0.000405 -0.000851 -0.001267 -0.001815 -0.000270 26O 3s -0.005911 0.009000 0.031080 0.030337 0.044638 0.015216 26O 4s -0.002588 -0.001942 -0.121891 -0.137998 -0.104873 0.009543 26O 5s 0.098300 -0.039626 -0.281700 0.149538 -0.139459 -0.504337 26O 1pz -0.002710 0.003717 0.000265 0.002192 0.005862 0.006215 26O 1px 0.002554 -0.002185 -0.008188 -0.004935 -0.005181 -0.008562 26O 1py -0.000685 0.001349 -0.002276 -0.000213 0.001486 0.001019 26O 2pz 0.012349 -0.011357 -0.023837 0.033367 -0.065835 -0.038461 26O 2px -0.025872 0.024163 0.079718 0.092911 0.024326 0.063558 26O 2py -0.003778 0.000785 0.013963 0.054802 -0.031151 -0.000825 26O 3pz 0.062105 -0.086480 -0.046268 0.169793 -0.160321 -0.150532 26O 3px 0.024802 -0.062794 0.063708 0.069501 -0.059847 0.096935 26O 3py 0.058230 -0.071684 -0.012808 0.131340 -0.127536 -0.061111 26O 1dz2 -0.002547 0.005449 -0.007679 0.011318 -0.007363 0.000590 26O 1dxz 0.001240 -0.004776 -0.000570 0.001152 -0.004306 -0.005691 26O 1dyz -0.002855 0.003590 -0.009146 0.010398 -0.006971 -0.002614 26O 1dx2y2 -0.001897 -0.002949 0.001662 -0.008523 0.007519 0.000356 26O 1dxy 0.003929 -0.001184 -0.000393 -0.004086 0.001543 -0.003502 26O 2dz2 -0.001115 -0.003558 0.018898 0.008817 -0.000293 -0.000283 26O 2dxz -0.006887 0.014686 -0.003223 0.007872 0.009632 0.010445 26O 2dyz 0.004556 -0.005190 0.004779 0.004678 -0.012534 -0.013870 26O 2dx2y2 0.014421 -0.006017 -0.013197 -0.014001 -0.013653 -0.013610 26O 2dxy -0.001527 -0.002574 -0.014947 -0.004304 -0.008087 -0.010516 26O 1f0 -0.004726 0.001777 0.002632 -0.003386 0.008347 0.000980 26O 1f+1 0.003098 -0.000638 -0.005444 -0.003939 -0.000640 -0.006176 26O 1f-1 0.000052 0.000718 0.008942 -0.008982 0.008511 0.008131 26O 1f+2 0.003314 -0.002779 -0.002945 0.005468 -0.009689 -0.002515 26O 1f-2 0.001054 -0.003593 -0.001899 0.001077 -0.005790 0.000593 26O 1f+3 0.001523 -0.005304 -0.001712 -0.001449 -0.005117 -0.001599 26O 1f-3 0.000205 -0.000601 -0.003129 -0.006218 0.004255 -0.006249 27O 1s -0.000516 -0.000352 0.000312 0.001959 0.000795 0.000610 27O 2s -0.000424 -0.000346 -0.000602 0.001217 0.001918 -0.000170 27O 3s 0.009620 0.008612 0.025534 -0.030168 -0.046773 0.013688 27O 4s -0.005267 -0.006156 -0.094570 0.140478 0.111214 0.010568 27O 5s -0.043572 -0.073649 -0.324446 -0.143870 0.148267 -0.526001 27O 1pz 0.001508 0.001956 0.001386 -0.001819 -0.004381 0.004340 27O 1px -0.002231 -0.001681 -0.009132 0.004867 0.004709 -0.007863 27O 1py -0.003077 -0.002137 0.000298 0.001137 0.005115 -0.004058 27O 2pz -0.006862 -0.008703 -0.023864 -0.009400 0.044900 -0.029240 27O 2px 0.028165 0.024667 0.084291 -0.105347 -0.017661 0.066052 27O 2py 0.004460 0.007524 0.012150 0.043940 -0.060151 0.023392 27O 3pz -0.046319 -0.041742 -0.066659 -0.099102 0.098146 -0.130896 27O 3px -0.068769 -0.041213 0.016613 -0.101037 0.080333 0.045776 27O 3py 0.092188 0.056108 0.074158 0.172065 -0.159648 0.163586 27O 1dz2 -0.000469 0.000952 0.001473 -0.002805 0.001934 0.001758 27O 1dxz 0.000614 -0.003922 -0.000438 -0.003951 0.005269 -0.001975 27O 1dyz -0.006082 -0.002905 0.007810 0.009185 -0.005116 0.000560 27O 1dx2y2 -0.004971 -0.002655 0.005167 0.013396 -0.010054 -0.000607 27O 1dxy 0.003449 -0.000201 0.002236 0.002482 -0.004565 0.004916 27O 2dz2 0.007799 0.004704 0.010896 -0.006433 -0.010949 0.012838 27O 2dxz 0.005928 0.013019 0.001236 -0.009589 -0.008337 0.004589 27O 2dyz 0.011166 0.005894 -0.004903 0.003686 -0.016565 0.016700 27O 2dx2y2 -0.003830 -0.006806 -0.023183 0.016344 0.009984 -0.009983 27O 2dxy -0.008312 -0.001008 0.007550 0.004698 0.000257 0.004353 27O 1f0 0.004018 0.000312 -0.004336 -0.003315 -0.000796 -0.005140 27O 1f+1 -0.001418 0.000576 -0.003338 0.004460 -0.002368 -0.005351 27O 1f-1 -0.002091 0.000650 -0.003678 -0.002961 0.004725 -0.002339 27O 1f+2 -0.003134 -0.002451 -0.009940 -0.004838 0.010774 -0.008729 27O 1f-2 0.000562 -0.001004 0.000745 -0.002750 0.001809 -0.000305 27O 1f+3 -0.001986 -0.004365 -0.003707 0.006319 0.000967 -0.003607 27O 1f-3 -0.002492 -0.003744 -0.002934 -0.006756 0.012065 0.000578 28O 1s 0.000271 -0.000483 -0.000324 -0.002010 0.000860 0.000654 28O 2s 0.000148 -0.000504 0.000591 -0.001276 0.001944 -0.000099 28O 3s -0.002526 0.012798 -0.024809 0.031676 -0.046693 0.012062 28O 4s -0.016668 -0.012902 0.090899 -0.147094 0.110620 0.015553 28O 5s 0.010388 -0.124521 0.305084 0.146245 0.112009 -0.516110 28O 1pz -0.001421 0.001171 0.005341 -0.001324 -0.001797 -0.000776 28O 1px -0.001825 0.004662 -0.007544 0.005635 -0.006196 0.008354 28O 1py -0.002327 0.001736 -0.000695 0.001323 -0.004023 0.002950 28O 2pz 0.001806 0.013275 -0.030664 0.086617 0.041669 0.014447 28O 2px 0.011453 -0.039221 0.078143 -0.075313 0.042996 -0.067791 28O 2py 0.005945 -0.006093 0.015716 0.024489 0.044490 -0.017976 28O 3pz 0.077880 -0.080467 0.089850 0.204596 0.189561 -0.134175 28O 3px -0.034046 -0.005747 0.047083 0.003211 0.005035 -0.127310 28O 3py 0.049682 -0.042527 0.065496 0.125520 0.112599 -0.127276 28O 1dz2 -0.001195 -0.000816 0.003117 0.005794 0.006325 -0.003068 28O 1dxz -0.003192 0.004439 0.003025 0.010026 0.005389 0.003293 28O 1dyz -0.001957 0.003923 0.008442 0.009368 0.007102 -0.002664 28O 1dx2y2 0.002709 0.001312 -0.001116 -0.007545 -0.007332 0.000237 28O 1dxy -0.005633 0.001497 0.002997 0.002841 -0.000697 0.002076 28O 2dz2 -0.001765 0.004828 0.000996 0.006929 -0.002596 -0.003326 28O 2dxz 0.001231 0.005983 -0.020898 0.013340 -0.004321 0.008779 28O 2dyz 0.002035 -0.006626 -0.003523 0.006308 0.011207 -0.014737 28O 2dx2y2 0.001847 -0.016699 0.011731 -0.014915 0.014051 -0.011695 28O 2dxy 0.012950 -0.005458 -0.003721 -0.001802 0.012651 -0.008593 28O 1f0 0.001971 -0.002329 0.005249 -0.001590 0.003750 -0.004709 28O 1f+1 -0.004178 0.001629 -0.002387 -0.006337 -0.011156 -0.001108 28O 1f-1 -0.000321 -0.001025 -0.005664 -0.004454 -0.002576 0.006900 28O 1f+2 -0.002744 0.001686 -0.001592 0.007758 0.002595 0.002995 28O 1f-2 -0.000710 0.003300 -0.008298 -0.005022 -0.009436 0.005281 28O 1f+3 -0.000364 0.005081 -0.005594 0.000594 -0.005572 0.005231 28O 1f-3 -0.000974 0.002934 0.002099 -0.001608 -0.004433 -0.003046 29O 1s -0.000729 0.000057 0.002543 -0.000008 -0.000024 0.001581 29O 2s -0.000606 0.000034 0.002597 -0.000011 -0.000021 0.001651 29O 3s 0.008221 -0.000259 -0.046729 0.000314 0.000150 -0.028424 29O 4s -0.023243 0.003217 0.033003 -0.000767 0.001031 -0.007406 29O 5s 0.096789 -0.020869 0.230729 -0.001204 -0.001994 0.255215 29O 1pz 0.000697 -0.003622 -0.008960 0.002911 -0.002582 -0.007250 29O 1px -0.001027 -0.001361 0.026462 0.000977 -0.001399 0.021501 29O 1py 0.006184 -0.000315 0.007622 -0.000288 0.000092 0.006023 29O 2pz -0.003666 0.006585 0.019931 -0.013758 0.012754 0.016179 29O 2px 0.007140 0.001229 -0.061184 -0.005176 0.006336 -0.049564 29O 2py -0.018376 0.002421 -0.038657 0.001838 -0.001224 -0.029635 29O 3pz -0.007989 0.050309 0.014150 -0.010919 0.017159 0.022538 29O 3px 0.015029 0.021735 -0.068739 -0.002843 0.006465 -0.083177 29O 3py -0.046551 -0.000409 -0.068310 0.001425 -0.002719 -0.055071 29O 1dz2 -0.001071 -0.007127 0.006871 -0.002652 0.002996 0.005721 29O 1dxz -0.003837 0.012340 0.012231 -0.000114 -0.000058 0.010574 29O 1dyz 0.004513 0.006561 0.003017 -0.007423 0.008697 0.002334 29O 1dx2y2 0.006405 0.005388 -0.020761 -0.000793 0.001306 -0.017648 29O 1dxy -0.012137 0.001512 -0.007074 -0.003157 0.003827 -0.005467 29O 2dz2 0.005170 0.013638 -0.015073 0.008245 -0.009122 -0.013869 29O 2dxz 0.010803 -0.025854 -0.030246 -0.002435 0.003198 -0.027467 29O 2dyz -0.008373 -0.016140 -0.007259 0.019548 -0.022462 -0.005993 29O 2dx2y2 -0.015937 -0.011340 0.056048 0.000768 -0.001978 0.049002 29O 2dxy 0.021101 -0.003480 0.013414 0.008576 -0.010204 0.011405 29O 1f0 0.000142 -0.001394 -0.007549 0.001115 -0.001155 -0.006675 29O 1f+1 -0.000136 -0.004124 0.003698 -0.001220 0.001373 0.003408 29O 1f-1 -0.001684 -0.001113 -0.004855 -0.000398 0.000530 -0.003674 29O 1f+2 -0.002075 0.003003 0.008655 0.001921 -0.002305 0.007977 29O 1f-2 0.002601 0.002768 -0.000993 -0.000590 0.000626 -0.000560 29O 1f+3 -0.002093 -0.002164 0.012744 -0.000794 0.000753 0.011305 29O 1f-3 0.007366 -0.001202 0.004141 0.000780 -0.000988 0.003596 30O 1s -0.000379 -0.000297 -0.000163 0.002053 -0.000754 0.000598 30O 2s -0.000422 -0.000200 0.000739 0.001316 -0.001850 -0.000143 30O 3s 0.011272 0.004050 -0.027685 -0.031894 0.045226 0.011859 30O 4s -0.007787 0.011814 0.111765 0.142662 -0.106487 0.021066 30O 5s -0.143555 -0.031113 0.236521 -0.135793 -0.121850 -0.479845 30O 1pz 0.000178 0.001443 0.003296 0.001187 0.000909 -0.000771 30O 1px 0.005048 0.002847 -0.006302 -0.006128 0.007458 0.009242 30O 1py -0.001253 -0.001745 -0.003729 -0.000090 -0.002210 -0.001648 30O 2pz 0.010589 0.000575 -0.021108 -0.062886 -0.024508 0.007378 30O 2px -0.039426 -0.016151 0.071744 0.064442 -0.055613 -0.064310 30O 2py -0.007369 0.002835 0.015803 0.073308 0.045941 0.007006 30O 3pz -0.048131 -0.062783 0.006628 -0.129247 -0.121652 -0.047593 30O 3px -0.016705 0.005732 0.059126 -0.032236 -0.029139 -0.151496 30O 3py 0.082760 0.067593 -0.049713 0.198038 0.192801 0.120800 30O 1dz2 -0.000306 -0.003309 -0.001387 0.000839 -0.001314 -0.001556 30O 1dxz 0.000478 0.005783 0.003095 -0.008870 -0.005878 0.001741 30O 1dyz -0.001236 -0.001084 -0.008615 0.005597 0.005240 0.005060 30O 1dx2y2 0.001594 -0.000129 -0.002659 0.008111 0.008743 0.003916 30O 1dxy -0.005945 -0.003437 -0.006299 0.011731 0.006069 -0.002809 30O 2dz2 0.006648 0.009663 -0.003207 -0.006353 0.012068 0.012819 30O 2dxz 0.010180 -0.005471 -0.013370 -0.011374 0.005195 0.003934 30O 2dyz 0.007304 0.002888 -0.000225 0.000268 0.012382 0.014173 30O 2dx2y2 -0.014544 -0.007501 0.003871 0.014116 -0.011076 -0.007859 30O 2dxy 0.001942 0.002934 0.017398 0.009039 0.003728 0.004700 30O 1f0 -0.003382 0.000435 0.006817 -0.000253 -0.003186 -0.008855 30O 1f+1 0.003578 -0.000136 0.002001 0.000931 0.003776 -0.002306 30O 1f-1 0.001646 0.000877 -0.000636 0.000283 0.002419 -0.000406 30O 1f+2 0.004336 0.002044 0.000886 -0.003975 0.002964 -0.001847 30O 1f-2 -0.001673 0.000882 0.004318 -0.009999 -0.010098 -0.001022 30O 1f+3 0.003711 0.005144 -0.005137 0.006374 0.012999 0.004004 30O 1f-3 0.002794 0.001629 -0.006150 -0.003569 0.002208 0.006329 31O 1s 0.000376 0.000302 0.000148 0.002057 0.000747 0.000590 31O 2s 0.000416 0.000205 -0.000756 0.001324 0.001845 -0.000153 31O 3s -0.011099 -0.004167 0.028103 -0.032084 -0.045087 0.012140 31O 4s 0.007771 -0.011083 -0.113097 0.143087 0.105872 0.020180 31O 5s 0.136255 0.029101 -0.239110 -0.135022 0.121380 -0.482684 31O 1pz 0.000226 0.001432 0.003292 -0.001180 0.000905 0.000784 31O 1px 0.004881 0.002767 -0.006320 0.006164 0.007400 -0.009257 31O 1py -0.001232 -0.001745 -0.003742 0.000085 -0.002221 0.001629 31O 2pz 0.010162 0.000659 -0.021435 0.062790 -0.024794 -0.007710 31O 2px -0.038497 -0.015955 0.072257 -0.064681 -0.055164 0.064733 31O 2py -0.007110 0.002764 0.016150 -0.073137 0.046368 -0.006667 31O 3pz -0.049978 -0.062702 0.005260 0.128831 -0.122561 0.046306 31O 3px -0.014358 0.006361 0.060536 0.031994 -0.029023 0.152858 31O 3py 0.083272 0.067292 -0.047921 -0.197480 0.194076 -0.119710 31O 1dz2 0.000257 0.003304 0.001386 0.000839 0.001320 -0.001574 31O 1dxz -0.000595 -0.005735 -0.003137 -0.008840 0.005921 0.001681 31O 1dyz 0.001280 0.001104 0.008582 0.005582 -0.005272 0.005053 31O 1dx2y2 -0.001578 0.000177 0.002703 0.008063 -0.008770 0.003945 31O 1dxy 0.005840 0.003389 0.006377 0.011704 -0.006122 -0.002777 31O 2dz2 -0.006493 -0.009610 0.003257 -0.006357 -0.012073 0.012890 31O 2dxz -0.009780 0.005317 0.013652 -0.011421 -0.005136 0.004241 31O 2dyz -0.007227 -0.002921 0.000420 0.000192 -0.012335 0.014305 31O 2dx2y2 0.014407 0.007364 -0.004020 0.014209 0.010974 -0.007972 31O 2dxy -0.001751 -0.002740 -0.017770 0.009028 -0.003802 0.004477 31O 1f0 -0.003325 0.000448 0.006837 0.000239 -0.003183 0.008874 31O 1f+1 0.003599 -0.000125 0.002014 -0.000916 0.003779 0.002318 31O 1f-1 0.001719 0.000888 -0.000645 -0.000278 0.002426 0.000409 31O 1f+2 0.004358 0.002088 0.000891 0.003994 0.002957 0.001838 31O 1f-2 -0.001756 0.000842 0.004265 0.009957 -0.010152 0.000982 31O 1f+3 0.003808 0.005176 -0.005130 -0.006319 0.013041 -0.004006 31O 1f-3 0.002816 0.001646 -0.006176 0.003576 0.002192 -0.006344 32O 1s 0.000731 -0.000053 -0.002541 -0.000006 0.000025 0.001581 32O 2s 0.000609 -0.000027 -0.002597 -0.000008 0.000024 0.001652 32O 3s -0.008312 0.000021 0.046754 0.000265 -0.000225 -0.028475 32O 4s 0.023437 -0.002530 -0.033071 -0.000700 -0.000971 -0.007306 32O 5s -0.096180 0.021476 -0.231184 -0.001081 0.002638 0.255636 32O 1pz 0.000699 -0.003610 -0.009034 -0.002899 -0.002538 0.007309 32O 1px -0.001035 -0.001298 0.026423 -0.000938 -0.001369 -0.021482 32O 1py 0.006138 -0.000355 0.007650 0.000249 0.000050 -0.006052 32O 2pz -0.003374 0.006537 0.020599 0.013682 0.012540 -0.016701 32O 2px 0.007183 0.000803 -0.060899 0.005002 0.006131 0.049374 32O 2py -0.018172 0.002798 -0.038820 -0.001562 -0.000890 0.029785 32O 3pz -0.008932 0.050145 0.014810 0.010886 0.016948 -0.023050 32O 3px 0.014761 0.021607 -0.068443 0.002839 0.006345 0.082949 32O 3py -0.046364 0.000754 -0.068583 -0.001271 -0.002220 0.055320 32O 1dz2 0.000923 0.007253 -0.006859 -0.002631 -0.002945 0.005725 32O 1dxz 0.004077 -0.012252 -0.012184 -0.000088 0.000093 0.010521 32O 1dyz -0.004240 -0.006557 -0.002877 -0.007470 -0.008667 0.002223 32O 1dx2y2 -0.006282 -0.005195 0.020746 -0.000739 -0.001239 -0.017650 32O 1dxy 0.012159 -0.001598 0.007137 -0.003126 -0.003772 -0.005531 32O 2dz2 -0.004806 -0.013876 0.015012 0.008031 0.008821 -0.013852 32O 2dxz -0.011327 0.025767 0.030051 -0.002531 -0.003275 -0.027276 32O 2dyz 0.007681 0.016134 0.006741 0.019659 0.022372 -0.005602 32O 2dx2y2 0.015638 0.010867 -0.056070 0.000543 0.001727 0.049052 32O 2dxy -0.021241 0.003524 -0.013636 0.008401 0.009934 0.011604 32O 1f0 0.000324 -0.001305 -0.007248 -0.001161 -0.001191 0.006438 32O 1f+1 -0.000061 -0.004200 0.003915 0.001251 0.001388 -0.003588 32O 1f-1 -0.001617 -0.001034 -0.004953 0.000380 0.000523 0.003745 32O 1f+2 -0.001970 0.002937 0.008860 -0.001952 -0.002330 -0.008129 32O 1f-2 0.002458 0.002841 -0.001058 0.000608 0.000647 0.000617 32O 1f+3 -0.002140 -0.002102 0.012658 0.000717 0.000649 -0.011247 32O 1f-3 0.007412 -0.001202 0.004196 -0.000748 -0.000957 -0.003653 33O 1s -0.000275 0.000478 0.000316 -0.002013 -0.000854 0.000649 33O 2s -0.000153 0.000500 -0.000600 -0.001285 -0.001941 -0.000104 33O 3s 0.002565 -0.012689 0.025003 0.031927 0.046581 0.012202 33O 4s 0.016856 0.012357 -0.091563 -0.147786 -0.109992 0.015151 33O 5s -0.009705 0.124908 -0.304447 0.145454 -0.111343 -0.516737 33O 1pz -0.001449 0.001182 0.005320 0.001326 -0.001831 0.000770 33O 1px -0.001941 0.004667 -0.007520 -0.005686 -0.006157 -0.008346 33O 1py -0.002424 0.001737 -0.000652 -0.001332 -0.004002 -0.002927 33O 2pz 0.002124 0.013096 -0.030603 -0.086434 0.042231 -0.014586 33O 2px 0.011608 -0.039153 0.078190 0.075733 0.042519 0.067946 33O 2py 0.006288 -0.006102 0.015533 -0.024376 0.044541 0.017816 33O 3pz 0.077326 -0.080813 0.089576 -0.203804 0.190814 0.134079 33O 3px -0.034828 -0.005886 0.047471 -0.003057 0.004616 0.127861 33O 3py 0.050399 -0.041861 0.065068 -0.125323 0.113597 0.127291 33O 1dz2 0.001133 0.000806 -0.003095 0.005752 -0.006359 -0.003051 33O 1dxz 0.003211 -0.004501 -0.003060 0.009982 -0.005412 0.003287 33O 1dyz 0.001920 -0.003936 -0.008457 0.009331 -0.007143 -0.002657 33O 1dx2y2 -0.002857 -0.001371 0.001169 -0.007512 0.007354 0.000237 33O 1dxy 0.005783 -0.001432 -0.003040 0.002839 0.000696 0.002090 33O 2dz2 0.001898 -0.004887 -0.001025 0.007031 0.002600 -0.003326 33O 2dxz -0.001438 -0.005790 0.021017 0.013414 0.004163 0.008883 33O 2dyz -0.001963 0.006728 0.003509 0.006233 -0.011229 -0.014785 33O 2dx2y2 -0.001482 0.016834 -0.011880 -0.015044 -0.013943 -0.011769 33O 2dxy -0.013399 0.005259 0.003896 -0.001797 -0.012681 -0.008574 33O 1f0 0.001931 -0.002342 0.005252 0.001635 0.003709 0.004727 33O 1f+1 -0.004129 0.001635 -0.002406 0.006271 -0.011203 0.001096 33O 1f-1 -0.000387 -0.001024 -0.005661 0.004426 -0.002578 -0.006886 33O 1f+2 -0.002768 0.001657 -0.001601 -0.007738 0.002608 -0.003017 33O 1f-2 -0.000657 0.003253 -0.008289 0.004983 -0.009469 -0.005272 33O 1f+3 -0.000304 0.005120 -0.005613 -0.000637 -0.005580 -0.005244 33O 1f-3 -0.000960 0.002906 0.002119 0.001596 -0.004434 0.003055 34O 1s 0.000523 0.000350 -0.000301 0.001953 -0.000805 0.000605 34O 2s 0.000430 0.000343 0.000614 0.001207 -0.001923 -0.000176 34O 3s -0.009619 -0.008510 -0.025769 -0.029925 0.046911 0.013858 34O 4s 0.004705 0.005526 0.095275 0.139899 -0.111911 0.009984 34O 5s 0.041564 0.074028 0.323678 -0.143833 -0.147492 -0.527276 34O 1pz 0.001592 0.001996 0.001402 0.001797 -0.004373 -0.004349 34O 1px -0.002279 -0.001742 -0.009109 -0.004854 0.004718 0.007862 34O 1py -0.003208 -0.002202 0.000268 -0.001098 0.005122 0.004048 34O 2pz -0.007177 -0.008816 -0.023979 0.009590 0.044803 0.029296 34O 2px 0.027731 0.024626 0.084231 0.105357 -0.018074 -0.066336 34O 2py 0.005092 0.007771 0.012333 -0.044287 -0.059958 -0.023272 34O 3pz -0.045512 -0.042047 -0.066540 0.099286 0.097715 0.130893 34O 3px -0.069874 -0.041829 0.017382 0.101370 0.079854 -0.046899 34O 3py 0.093030 0.056531 0.073012 -0.172456 -0.158813 -0.163267 34O 1dz2 0.000492 -0.001006 -0.001494 -0.002821 -0.001930 0.001749 34O 1dxz -0.000655 0.003945 0.000457 -0.003987 -0.005258 -0.001983 34O 1dyz 0.006083 0.002930 -0.007829 0.009218 0.005090 0.000561 34O 1dx2y2 0.005108 0.002733 -0.005227 0.013434 0.009997 -0.000603 34O 1dxy -0.003625 0.000152 -0.002214 0.002497 0.004548 0.004904 34O 2dz2 -0.007721 -0.004529 -0.010874 -0.006369 0.010993 0.012925 34O 2dxz -0.005823 -0.013108 -0.001296 -0.009530 0.008384 0.004631 34O 2dyz -0.011297 -0.006009 0.004945 0.003722 0.016506 0.016693 34O 2dx2y2 0.003326 0.006516 0.023337 0.016313 -0.010055 -0.010096 34O 2dxy 0.008901 0.001190 -0.007640 0.004693 -0.000257 0.004455 34O 1f0 0.003985 0.000293 -0.004344 0.003310 -0.000807 0.005137 34O 1f+1 -0.001466 0.000576 -0.003341 -0.004472 -0.002358 0.005358 34O 1f-1 -0.002101 0.000674 -0.003662 0.002986 0.004722 0.002332 34O 1f+2 -0.003073 -0.002423 -0.009955 0.004885 0.010753 0.008734 34O 1f-2 0.000515 -0.001025 0.000739 0.002765 0.001801 0.000299 34O 1f+3 -0.001934 -0.004342 -0.003712 -0.006316 0.000993 0.003619 34O 1f-3 -0.002423 -0.003685 -0.002920 0.006803 0.012038 -0.000596 35O 1s -0.000187 0.000494 -0.000103 -0.002033 0.000730 0.000481 35O 2s -0.000202 0.000404 0.000862 -0.001261 0.001819 -0.000278 35O 3s 0.005906 -0.008986 -0.031401 0.030165 -0.044726 0.015451 35O 4s 0.001883 0.001871 0.123061 -0.137515 0.105394 0.008841 35O 5s -0.091811 0.039314 0.284269 0.150230 0.138689 -0.506949 35O 1pz -0.002639 0.003685 0.000280 -0.002174 0.005852 -0.006226 35O 1px 0.002429 -0.002181 -0.008192 0.004905 -0.005191 0.008602 35O 1py -0.000671 0.001391 -0.002345 0.000228 0.001484 -0.000989 35O 2pz 0.012144 -0.011318 -0.023841 -0.033681 -0.065654 0.038472 35O 2px -0.025196 0.024110 0.080347 -0.092789 0.024607 -0.064163 35O 2py -0.003732 0.000649 0.014472 -0.055090 -0.030958 0.000550 35O 3pz 0.061961 -0.086342 -0.045544 -0.170082 -0.159663 0.150268 35O 3px 0.026971 -0.062748 0.065535 -0.069627 -0.059571 -0.098327 35O 3py 0.057685 -0.072334 -0.011600 -0.131877 -0.127200 0.060491 35O 1dz2 0.002606 -0.005361 0.007713 0.011367 0.007335 0.000556 35O 1dxz -0.001216 0.004777 0.000531 0.001161 0.004321 -0.005674 35O 1dyz 0.002774 -0.003646 0.009175 0.010472 0.006941 -0.002611 35O 1dx2y2 0.001846 0.002943 -0.001724 -0.008570 -0.007475 0.000416 35O 1dxy -0.003791 0.001255 0.000314 -0.004098 -0.001524 -0.003495 35O 2dz2 0.001001 0.003367 -0.019148 0.008780 0.000217 -0.000068 35O 2dxz 0.006829 -0.014683 0.003355 0.007849 -0.009741 0.010382 35O 2dyz -0.004287 0.005309 -0.004836 0.004661 0.012482 -0.013910 35O 2dx2y2 -0.014111 0.006040 0.013474 -0.013912 0.013646 -0.013881 35O 2dxy 0.001227 0.002420 0.015355 -0.004309 0.008073 -0.010698 35O 1f0 -0.004753 0.001817 0.002614 0.003422 0.008348 -0.000963 35O 1f+1 0.003075 -0.000647 -0.005469 0.003946 -0.000631 0.006210 35O 1f-1 0.000029 0.000712 0.008937 0.009058 0.008498 -0.008135 35O 1f+2 0.003375 -0.002778 -0.002945 -0.005517 -0.009667 0.002524 35O 1f-2 0.001174 -0.003582 -0.001901 -0.001091 -0.005786 -0.000604 35O 1f+3 0.001510 -0.005298 -0.001710 0.001418 -0.005122 0.001611 35O 1f-3 0.000166 -0.000599 -0.003175 0.006245 0.004227 0.006283 750 751 752 753 754 755 22.34113 22.34626 22.34773 22.34974 23.30475 23.31953 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s 0.000136 -0.000368 -0.000819 -0.000145 0.001368 -0.000178 0Rh 2s 0.000561 -0.001457 -0.003360 -0.000559 0.006253 -0.000718 0Rh 3s 0.001198 -0.003208 -0.007208 -0.001254 0.012391 -0.001562 0Rh 4s -0.001221 0.002824 0.007219 0.000993 -0.016616 0.001378 0Rh 5s -0.000880 0.004923 0.006052 0.002549 0.008790 0.002716 0Rh 6s 0.000098 -0.008840 -0.003027 -0.005444 -0.033211 -0.005635 0Rh 7s 0.031367 0.034829 -0.151300 0.036283 0.233703 0.019263 0Rh 8s -0.008241 0.059457 0.025024 0.013679 0.060230 0.008918 0Rh 1pz 0.000011 0.000333 -0.000308 0.000481 0.000387 0.000571 0Rh 1px -0.000088 0.000244 0.000451 -0.000007 -0.000962 0.000267 0Rh 1py -0.000148 -0.000439 0.000128 0.000452 -0.000181 -0.000465 0Rh 2pz -0.000056 -0.001554 0.001428 -0.002226 -0.001796 -0.002752 0Rh 2px 0.000415 -0.001136 -0.002122 0.000035 0.004479 -0.001286 0Rh 2py 0.000678 0.002033 -0.000600 -0.002099 0.000844 0.002242 0Rh 3pz 0.000362 0.008020 -0.007221 0.011135 0.008928 0.016031 0Rh 3px -0.002228 0.005833 0.011402 -0.000215 -0.022596 0.007482 0Rh 3py -0.003262 -0.010159 0.003188 0.010672 -0.004351 -0.013075 0Rh 4pz -0.001081 -0.019022 0.016721 -0.025334 -0.019471 -0.040156 0Rh 4px 0.005501 -0.013739 -0.028183 0.000567 0.050082 -0.018683 0Rh 4py 0.007116 0.023079 -0.007790 -0.024839 0.009915 0.032791 0Rh 5pz 0.002115 0.027940 -0.024123 0.035671 0.024334 0.049786 0Rh 5px -0.008800 0.019927 0.044101 -0.001092 -0.063728 0.022655 0Rh 5py -0.009314 -0.032413 0.011821 0.035712 -0.012529 -0.040832 0Rh 6pz -0.021136 -0.025807 -0.038483 -0.064899 -0.043276 0.044195 0Rh 6px 0.031921 -0.044725 -0.115126 0.002160 0.176997 0.030799 0Rh 6py -0.068513 0.067344 -0.020414 -0.046577 0.009265 -0.025819 0Rh 1dz2 0.001581 -0.001324 -0.000259 -0.000482 0.001103 -0.001940 0Rh 1dxz 0.000124 0.002297 -0.000278 0.001629 0.001607 0.003105 0Rh 1dyz 0.001901 0.000822 0.000298 0.000378 0.000276 0.001473 0Rh 1dx2y2 0.000571 0.001168 0.000655 -0.000452 -0.002356 0.002188 0Rh 1dxy 0.001110 -0.001454 0.000802 0.002887 -0.000571 -0.002499 0Rh 2dz2 -0.004414 0.003654 0.000707 0.001308 -0.003136 0.005356 0Rh 2dxz -0.000335 -0.006341 0.000761 -0.004490 -0.004569 -0.008584 0Rh 2dyz -0.005400 -0.002263 -0.000852 -0.001087 -0.000784 -0.004063 0Rh 2dx2y2 -0.001591 -0.003217 -0.001813 0.001238 0.006697 -0.006036 0Rh 2dxy -0.003128 0.004014 -0.002228 -0.007984 0.001632 0.006902 0Rh 3dz2 0.007396 -0.005882 -0.001087 -0.001983 0.005510 -0.008334 0Rh 3dxz 0.000499 0.010222 -0.001179 0.007194 0.008006 0.013412 0Rh 3dyz 0.009506 0.003605 0.001540 0.002018 0.001367 0.006288 0Rh 3dx2y2 0.002651 0.005136 0.002941 -0.001944 -0.011747 0.009370 0Rh 3dxy 0.005384 -0.006466 0.003658 0.012943 -0.002944 -0.010770 0Rh 4dz2 -0.011415 0.008087 0.001207 0.001869 -0.010557 0.009709 0Rh 4dxz -0.000514 -0.014150 0.001320 -0.009603 -0.015151 -0.015916 0Rh 4dyz -0.016225 -0.004619 -0.002869 -0.004602 -0.002527 -0.007035 0Rh 4dx2y2 -0.004100 -0.006723 -0.003987 0.002370 0.022330 -0.010706 0Rh 4dxy -0.008832 0.008879 -0.005267 -0.018365 0.006237 0.012744 0Rh 5dz2 0.015450 -0.010926 -0.002217 0.009473 0.027792 -0.012092 0Rh 5dxz 0.001154 0.020322 -0.001590 0.010241 0.039663 0.022108 0Rh 5dyz 0.017583 0.000317 0.005322 0.030681 0.006401 0.007115 0Rh 5dx2y2 0.005525 0.003903 0.006946 -0.000961 -0.058513 0.011273 0Rh 5dxy 0.011794 -0.012610 0.007844 0.031500 -0.017983 -0.018317 0Rh 1f0 0.000309 0.000181 0.000399 -0.000396 -0.000279 -0.003026 0Rh 1f+1 -0.000689 0.000079 -0.000327 -0.000763 0.000074 0.001444 0Rh 1f-1 0.000576 -0.000359 -0.000047 -0.000380 -0.000144 0.000965 0Rh 1f+2 0.000424 0.000413 -0.000056 0.000432 -0.000014 -0.005855 0Rh 1f-2 -0.001728 0.000431 -0.000434 -0.000767 -0.000140 -0.003671 0Rh 1f+3 0.000169 -0.000562 -0.000361 0.000131 0.000243 0.004373 0Rh 1f-3 0.000957 0.000599 -0.000075 -0.000017 0.000019 -0.001858 1Rh 1s 0.000141 0.000277 -0.000830 0.000279 0.001373 0.000181 1Rh 2s 0.000582 0.001087 -0.003402 0.001110 0.006276 0.000731 1Rh 3s 0.001245 0.002413 -0.007300 0.002436 0.012440 0.001587 1Rh 4s -0.001261 -0.002031 0.007299 -0.002179 -0.016660 -0.001420 1Rh 5s -0.000957 -0.004239 0.006200 -0.003537 0.008710 -0.002649 1Rh 6s 0.000240 0.008451 -0.003319 0.005929 -0.033046 0.005435 1Rh 7s 0.030884 -0.050694 -0.149369 -0.011618 0.233216 -0.018203 1Rh 8s -0.008628 -0.056854 0.029746 -0.018148 0.060325 -0.008733 1Rh 1pz 0.000010 0.000367 0.000349 0.000422 -0.000393 0.000570 1Rh 1px 0.000088 0.000194 -0.000467 0.000068 0.000961 0.000270 1Rh 1py 0.000175 -0.000443 -0.000010 0.000452 0.000175 -0.000464 1Rh 2pz -0.000044 -0.001708 -0.001620 -0.001953 0.001824 -0.002746 1Rh 2px -0.000416 -0.000899 0.002197 -0.000320 -0.004473 -0.001299 1Rh 2py -0.000803 0.002050 0.000051 -0.002101 -0.000819 0.002235 1Rh 3pz 0.000127 0.008799 0.008153 0.009761 -0.009097 0.016000 1Rh 3px 0.002228 0.004564 -0.011785 0.001694 0.022559 0.007549 1Rh 3py 0.003903 -0.010267 -0.000399 0.010719 0.004199 -0.013039 1Rh 4pz -0.000009 -0.020824 -0.018755 -0.022185 0.019910 -0.040086 1Rh 4px -0.005495 -0.010611 0.029083 -0.004143 -0.049983 -0.018838 1Rh 4py -0.008611 0.023387 0.001317 -0.025051 -0.009528 0.032708 1Rh 5pz -0.000614 0.030540 0.026848 0.031197 -0.024878 0.049694 1Rh 5px 0.008778 0.015038 -0.045400 0.006246 0.063583 0.022890 1Rh 5py 0.011466 -0.032951 -0.002531 0.036192 0.012060 -0.040739 1Rh 6pz 0.016802 -0.022934 0.028509 -0.073031 0.042475 0.044112 1Rh 6px -0.032102 -0.032555 0.117511 -0.016437 -0.176662 0.029510 1Rh 6py 0.065262 0.070549 0.006245 -0.053761 -0.010331 -0.025087 1Rh 1dz2 0.001594 0.001326 -0.000316 0.000487 0.001083 0.001946 1Rh 1dxz 0.000083 -0.002322 -0.000303 -0.001571 0.001646 -0.003099 1Rh 1dyz 0.001915 -0.000759 0.000313 -0.000536 0.000270 -0.001471 1Rh 1dx2y2 0.000614 -0.001082 0.000843 0.000308 -0.002364 -0.002189 1Rh 1dxy 0.000941 0.001525 0.000123 -0.003014 -0.000526 0.002495 1Rh 2dz2 -0.004450 -0.003661 0.000867 -0.001320 -0.003083 -0.005372 1Rh 2dxz -0.000222 0.006409 0.000828 0.004331 -0.004677 0.008567 1Rh 2dyz -0.005438 0.002082 -0.000885 0.001537 -0.000768 0.004058 1Rh 2dx2y2 -0.001710 0.002978 -0.002331 -0.000840 0.006719 0.006040 1Rh 2dxy -0.002660 -0.004211 -0.000352 0.008341 0.001507 -0.006892 1Rh 3dz2 0.007448 0.005903 -0.001367 0.001981 0.005429 0.008361 1Rh 3dxz 0.000319 -0.010328 -0.001281 -0.006945 0.008174 -0.013384 1Rh 3dyz 0.009557 -0.003286 0.001537 -0.002805 0.001341 -0.006279 1Rh 3dx2y2 0.002841 -0.004750 0.003761 0.001295 -0.011783 -0.009380 1Rh 3dxy 0.004629 0.006796 0.000619 -0.013546 -0.002747 0.010751 1Rh 4dz2 -0.011456 -0.008163 0.001748 -0.001775 -0.010473 -0.009749 1Rh 4dxz -0.000284 0.014262 0.001406 0.009312 -0.015346 0.015862 1Rh 4dyz -0.016238 0.004065 -0.002498 0.005935 -0.002500 0.007026 1Rh 4dx2y2 -0.004347 0.006199 -0.005028 -0.001470 0.022384 0.010740 1Rh 4dxy -0.007778 -0.009378 -0.000980 0.019298 0.006001 -0.012704 1Rh 5dz2 0.015133 0.010872 -0.004896 -0.009187 0.027705 0.012158 1Rh 5dxz 0.001015 -0.020411 -0.001075 -0.009935 0.039923 -0.021955 1Rh 5dyz 0.016889 0.000243 0.000169 -0.032044 0.006432 -0.007141 1Rh 5dx2y2 0.005767 -0.003100 0.007375 -0.000395 -0.058580 -0.011436 1Rh 5dxy 0.010221 0.013294 0.000790 -0.032754 -0.017649 0.018187 1Rh 1f0 -0.000349 0.000128 -0.000493 -0.000303 0.000258 -0.003022 1Rh 1f+1 0.000638 0.000117 0.000170 -0.000838 -0.000107 0.001443 1Rh 1f-1 -0.000594 -0.000367 0.000022 -0.000365 0.000057 0.000968 1Rh 1f+2 -0.000414 0.000413 0.000072 0.000442 0.000065 -0.005844 1Rh 1f-2 0.001694 0.000496 0.000248 -0.000910 0.000106 -0.003671 1Rh 1f+3 -0.000158 -0.000525 0.000429 0.000070 -0.000250 0.004375 1Rh 1f-3 -0.000971 0.000588 0.000027 0.000021 -0.000042 -0.001848 2C 1s 0.582792 0.430356 0.858976 0.821760 0.028491 -0.010150 2C 2s -0.738810 -0.545654 -1.089178 -1.042029 -0.036120 0.012756 2C 3s 0.661093 0.482518 0.959205 0.913224 0.080267 -0.031057 2C 4s -0.269802 -0.158372 -0.291880 -0.261867 -0.676097 0.290645 2C 5s 0.820101 0.668360 1.371451 1.219360 0.513574 -0.190048 2C 1pz 0.020294 0.013884 0.027645 0.026222 -0.004614 0.002219 2C 1px 0.004581 0.003046 0.006544 0.006222 -0.004465 0.002010 2C 1py 0.013033 0.009654 0.017752 0.016716 -0.002908 0.001222 2C 2pz -0.031763 0.002708 0.021174 0.023106 -0.378574 0.168246 2C 2px -0.018477 -0.011321 -0.015925 -0.012566 -0.029391 0.014787 2C 2py -0.019018 0.001786 0.018504 0.018661 -0.253183 0.105022 2C 3pz 0.048225 0.057296 0.105892 0.083211 0.123338 -0.070499 2C 3px 0.002322 0.005382 0.007793 0.004368 0.073829 -0.044629 2C 3py 0.040194 0.024414 0.081105 0.069271 0.071732 0.002281 2C 1dz2 0.000871 0.000030 0.002951 0.003053 -0.000681 0.002526 2C 1dxz -0.002336 -0.001620 -0.002311 -0.001956 0.001049 -0.000192 2C 1dyz 0.003878 0.004388 0.007996 0.007811 -0.004472 0.000935 2C 1dx2y2 0.001900 0.000253 0.001446 0.001885 -0.003101 0.002474 2C 1dxy 0.001567 0.000954 0.002691 0.003015 -0.003333 0.002850 2C 2dz2 -0.022572 -0.006377 -0.018399 -0.017272 -0.054039 0.016534 2C 2dxz 0.007963 0.009680 0.018395 0.016971 -0.062961 0.024616 2C 2dyz -0.043573 -0.027508 -0.042268 -0.037891 -0.045411 0.023192 2C 2dx2y2 -0.006607 -0.005333 -0.016308 -0.016754 0.064923 -0.033300 2C 2dxy -0.008863 -0.005485 -0.010347 -0.008795 0.000851 -0.001448 2C 1f0 0.012716 0.010265 0.019948 0.019117 0.008840 -0.003865 2C 1f+1 0.004505 0.003942 0.008775 0.008186 0.015277 -0.005828 2C 1f-1 0.012441 0.010272 0.021304 0.021876 0.041490 -0.017968 2C 1f+2 -0.032940 -0.024928 -0.050828 -0.049207 -0.023604 0.010198 2C 1f-2 0.038616 0.028848 0.058007 0.055942 0.009970 -0.004511 2C 1f+3 -0.035683 -0.026090 -0.052247 -0.049997 0.009109 -0.004342 2C 1f-3 -0.006142 -0.004484 -0.007903 -0.007698 0.009617 -0.003737 3C 1s -0.823556 0.930042 0.480323 -0.404529 0.030216 -0.040835 3C 2s 1.043993 -1.179143 -0.609030 0.512985 -0.038382 0.051963 3C 3s -0.928969 1.033488 0.533125 -0.452999 0.082806 -0.116151 3C 4s 0.344964 -0.296635 -0.140301 0.145028 -0.682449 0.938631 3C 5s -1.189986 1.364218 0.801239 -0.633263 0.524113 -0.793095 3C 1pz -0.015313 0.016106 0.008160 -0.007784 -0.000651 0.001063 3C 1px -0.010658 0.011448 0.005934 -0.005165 -0.003825 0.005778 3C 1py 0.028210 -0.030025 -0.015139 0.012969 0.005652 -0.008146 3C 2pz -0.002760 0.032527 0.025045 -0.007605 -0.248792 0.335149 3C 2px 0.015424 -0.001783 0.003696 0.000590 -0.116206 0.149560 3C 2py -0.027084 -0.021063 -0.023662 0.000422 0.367221 -0.486081 3C 3pz -0.063075 0.078390 0.050623 -0.022043 0.034701 -0.078590 3C 3px -0.023276 0.031314 0.024747 -0.014679 0.075535 -0.107927 3C 3py 0.070957 -0.087533 -0.062571 0.051528 -0.139667 0.199986 3C 1dz2 0.002224 -0.003259 -0.001374 -0.000173 0.003495 -0.003552 3C 1dxz 0.001053 -0.000532 0.000147 -0.000214 0.001151 -0.000690 3C 1dyz 0.007513 -0.009898 -0.005428 0.004515 0.004966 -0.007077 3C 1dx2y2 -0.001041 -0.000200 -0.000573 -0.000713 -0.001822 0.001942 3C 1dxy 0.000874 -0.002209 -0.001332 0.000918 0.001443 -0.002727 3C 2dz2 -0.017635 0.017138 0.007923 -0.002793 -0.005030 0.004485 3C 2dxz -0.004702 0.012545 0.007877 -0.001871 -0.053108 0.069344 3C 2dyz -0.055785 0.046953 0.021944 -0.026685 0.023142 -0.027101 3C 2dx2y2 -0.010551 0.001203 -0.001550 -0.000736 0.081785 -0.109407 3C 2dxy -0.012465 0.005428 0.000085 -0.003015 0.053697 -0.069395 3C 1f0 -0.022845 0.024108 0.012769 -0.010664 -0.023744 0.031649 3C 1f+1 -0.012336 0.014174 0.007627 -0.006003 0.003860 -0.004908 3C 1f-1 -0.031625 0.035349 0.018408 -0.016035 -0.008158 0.010924 3C 1f+2 0.065938 -0.077143 -0.039458 0.032855 -0.024838 0.032579 3C 1f-2 0.048886 -0.057450 -0.029993 0.024525 -0.024685 0.032210 3C 1f+3 -0.008779 0.012264 0.006824 -0.004825 0.027062 -0.035574 3C 1f-3 -0.006555 0.006053 0.002830 -0.002839 -0.018140 0.023807 4C 1s 0.030179 0.020127 0.035698 0.031642 -0.702413 0.303662 4C 2s -0.040640 -0.027245 -0.048675 -0.043388 0.939695 -0.406418 4C 3s 0.049597 0.030860 0.067472 0.085318 -0.927382 0.406255 4C 4s 0.106298 0.104099 0.175542 0.029127 -0.136751 0.029119 4C 5s -0.419574 -0.246400 -0.529371 -0.543528 -0.607078 0.298341 4C 1pz -0.020544 -0.017337 -0.032691 -0.031578 -0.002189 0.004244 4C 1px -0.003051 -0.002398 -0.004893 -0.005777 -0.000014 0.001932 4C 1py -0.012955 -0.010331 -0.021806 -0.021527 -0.002313 -0.004552 4C 2pz 0.145239 0.146828 0.278836 0.238959 -0.847027 0.346666 4C 2px -0.023584 -0.026467 -0.019898 0.017092 -0.130172 0.051914 4C 2py 0.078302 0.077129 0.165351 0.154756 -0.556865 0.260763 4C 3pz 0.008472 0.068476 0.180505 0.106809 0.238624 -0.034301 4C 3px -0.079812 -0.049126 -0.077428 -0.084977 0.046830 0.005381 4C 3py -0.023721 0.068753 0.088570 0.028195 0.170150 -0.099135 4C 1dz2 -0.001894 -0.000122 0.000399 -0.000285 0.022649 -0.010047 4C 1dxz -0.007298 -0.004546 -0.006540 -0.005133 0.077432 -0.032648 4C 1dyz -0.000181 0.000658 0.001539 0.001041 -0.062963 0.026943 4C 1dx2y2 0.007310 0.004478 0.005993 0.004803 -0.128624 0.053520 4C 1dxy 0.001682 0.000902 0.000601 0.000953 -0.074177 0.031275 4C 2dz2 -0.083996 -0.070820 -0.161054 -0.151441 0.247660 -0.112442 4C 2dxz -0.072127 -0.072798 -0.139061 -0.105585 0.276483 -0.121132 4C 2dyz -0.081859 -0.070894 -0.154982 -0.152468 0.176571 -0.074251 4C 2dx2y2 0.094901 0.086965 0.178155 0.148558 -0.370502 0.161010 4C 2dxy 0.010009 0.005345 0.019871 0.016790 -0.086166 0.039607 4C 1f0 0.003740 0.001360 0.005282 0.007668 0.046459 -0.019056 4C 1f+1 0.006423 0.003448 0.009809 0.013123 0.107421 -0.044661 4C 1f-1 0.040663 0.031701 0.064514 0.061491 -0.003725 0.001894 4C 1f+2 -0.014466 -0.010171 -0.022861 -0.026582 -0.082453 0.034890 4C 1f-2 0.013612 0.010275 0.021342 0.021530 -0.001852 0.000432 4C 1f+3 0.009490 0.008309 0.015474 0.012607 -0.014012 0.006355 4C 1f-3 0.000750 -0.000103 -0.000433 0.001551 0.094095 -0.041170 5C 1s -0.041571 0.038072 0.018868 -0.018667 -0.708834 0.945114 5C 2s 0.056062 -0.051996 -0.025819 0.025298 0.948288 -1.264921 5C 3s -0.068890 0.095280 0.034783 -0.033305 -0.936322 1.276852 5C 4s -0.164384 0.052207 0.118807 -0.078630 -0.136484 0.021224 5C 5s 0.549477 -0.590915 -0.263114 0.239110 -0.623408 1.007631 5C 1pz 0.017543 -0.021835 -0.011475 0.008287 -0.002846 0.005438 5C 1px 0.009930 -0.012393 -0.006349 0.006532 -0.001536 0.002723 5C 1py -0.029510 0.035542 0.018580 -0.015810 0.001806 -0.001124 5C 2pz -0.143186 0.181123 0.109908 -0.064312 -0.503464 0.650315 5C 2px -0.033407 0.051868 0.031113 -0.066693 -0.312319 0.394675 5C 2py 0.216342 -0.272984 -0.165714 0.115820 0.840270 -1.099462 5C 3pz -0.049395 0.082661 0.098614 -0.087124 0.151576 -0.154674 5C 3px 0.063637 -0.050558 0.000511 0.017842 0.094443 -0.105017 5C 3py 0.034986 -0.099827 -0.133551 0.051502 -0.233283 0.281345 5C 1dz2 0.004836 -0.003292 -0.001676 0.002571 0.092163 -0.119299 5C 1dxz 0.007491 -0.004969 -0.002013 0.002423 0.075359 -0.097578 5C 1dyz 0.003622 -0.003524 -0.002245 0.001533 0.091036 -0.117491 5C 1dx2y2 -0.007332 0.004065 0.000767 -0.003087 -0.102344 0.131930 5C 1dxy -0.004874 0.003657 0.001627 -0.000974 -0.011934 0.015556 5C 2dz2 0.029302 -0.024935 -0.022291 0.021716 0.131949 -0.173608 5C 2dxz 0.113897 -0.136486 -0.085911 0.054182 0.269498 -0.357709 5C 2dyz -0.085314 0.120739 0.061549 -0.053417 -0.077282 0.098762 5C 2dx2y2 -0.189024 0.226065 0.142156 -0.108883 -0.420597 0.550437 5C 2dxy -0.109026 0.138837 0.082378 -0.044120 -0.208598 0.278681 5C 1f0 0.040089 -0.046071 -0.025823 0.018957 0.054389 -0.071190 5C 1f+1 0.004671 -0.003514 -0.003532 0.003605 0.076100 -0.098087 5C 1f-1 0.006656 -0.007838 -0.004291 0.003515 -0.004259 0.005121 5C 1f+2 0.035993 -0.043172 -0.022499 0.019422 0.001899 -0.003432 5C 1f-2 0.026143 -0.033836 -0.016076 0.015200 -0.069639 0.089958 5C 1f+3 -0.029379 0.037281 0.017741 -0.012949 0.078826 -0.101671 5C 1f-3 0.008916 -0.014136 -0.005208 0.004183 -0.101217 0.130958 6C 1s -0.039906 -0.036220 0.026071 0.016773 -0.709473 -0.947717 6C 2s 0.053813 0.049456 -0.035613 -0.022677 0.949142 1.268405 6C 3s -0.065979 -0.091687 0.049765 0.029311 -0.937175 -1.280350 6C 4s -0.158029 -0.040491 0.140154 0.064449 -0.136467 -0.021349 6C 5s 0.530175 0.566378 -0.364856 -0.212654 -0.623717 -1.009282 6C 1pz -0.016802 -0.020662 0.015140 0.006857 0.002742 0.005413 6C 1px -0.009422 -0.011695 0.008702 0.005709 0.001539 0.002763 6C 1py 0.028208 0.033645 -0.024946 -0.013501 -0.001833 -0.001099 6C 2pz 0.137174 0.169879 -0.139692 -0.049909 0.504203 0.652261 6C 2px 0.029056 0.046721 -0.046314 -0.061096 0.312822 0.395545 6C 2py -0.206534 -0.255755 0.213574 0.093688 -0.841094 -1.102953 6C 3pz 0.044469 0.071588 -0.122120 -0.071316 -0.151978 -0.154395 6C 3px -0.064187 -0.053302 0.009099 0.021187 -0.094392 -0.105273 6C 3py -0.031686 -0.085133 0.152774 0.029218 0.232953 0.281627 6C 1dz2 0.004601 0.003098 -0.002471 -0.002422 0.092208 0.119576 6C 1dxz 0.007261 0.004824 -0.003027 -0.002365 0.075485 0.097932 6C 1dyz 0.003504 0.003329 -0.002898 -0.001275 0.091106 0.117811 6C 1dx2y2 -0.007039 -0.004000 0.001774 0.003201 -0.102451 -0.132311 6C 1dxy -0.004775 -0.003576 0.002251 0.000894 -0.011850 -0.015489 6C 2dz2 0.027830 0.022622 -0.028669 -0.018783 0.131911 0.173957 6C 2dxz 0.109169 0.127745 -0.109305 -0.042972 0.270059 0.359265 6C 2dyz -0.081286 -0.114177 0.082415 0.045172 -0.077375 -0.099100 6C 2dx2y2 -0.180397 -0.211075 0.183587 0.090073 -0.421111 -0.552045 6C 2dxy -0.104583 -0.130374 0.104107 0.033340 -0.208870 -0.279700 6C 1f0 -0.038435 -0.043465 0.033830 0.015781 -0.054390 -0.071330 6C 1f+1 -0.004361 -0.003054 0.004496 0.003113 -0.076222 -0.098391 6C 1f-1 -0.006335 -0.007361 0.005672 0.002985 0.004248 0.005106 6C 1f+2 -0.034397 -0.040825 0.030178 0.016622 -0.001950 -0.003524 6C 1f-2 -0.024921 -0.032106 0.022007 0.013176 0.069738 0.090280 6C 1f+3 0.028275 0.035565 -0.023767 -0.010839 -0.078851 -0.101899 6C 1f-3 -0.008519 -0.013544 0.007245 0.003530 0.101290 0.131326 7C 1s 0.028674 -0.015846 0.031393 -0.038814 -0.690179 -0.305498 7C 2s -0.038574 0.021428 -0.042759 0.053149 0.923329 0.408874 7C 3s 0.045157 -0.023207 0.054349 -0.098163 -0.910863 -0.408816 7C 4s 0.106579 -0.083114 0.177784 -0.065007 -0.136676 -0.028676 7C 5s -0.393733 0.186582 -0.450752 0.650829 -0.594434 -0.302290 7C 1pz 0.019021 -0.013653 0.028356 -0.037839 0.002170 0.004268 7C 1px 0.002766 -0.001843 0.003992 -0.006620 0.000050 0.001942 7C 1py 0.011973 -0.007922 0.018802 -0.025781 0.002169 -0.004586 7C 2pz -0.133801 0.115831 -0.247387 0.291730 0.831910 0.348176 7C 2px 0.024631 -0.024095 0.026553 0.009763 0.126020 0.051557 7C 2py -0.071021 0.059072 -0.143576 0.185362 0.549629 0.262983 7C 3pz -0.004767 0.050666 -0.167020 0.139282 -0.235000 -0.037368 7C 3px 0.077126 -0.040637 0.068073 -0.104231 -0.046120 0.004940 7C 3py 0.024477 0.059848 -0.089245 0.042215 -0.168156 -0.101247 7C 1dz2 -0.001881 0.000134 0.000453 0.000258 0.022659 0.010295 7C 1dxz -0.007096 0.003748 -0.006012 0.006646 0.076275 0.032909 7C 1dyz -0.000213 -0.000504 0.001418 -0.001310 -0.062141 -0.027197 7C 1dx2y2 0.007109 -0.003703 0.005441 -0.006106 -0.126271 -0.053794 7C 1dxy 0.001623 -0.000771 0.000440 -0.001031 -0.072817 -0.031423 7C 2dz2 -0.076451 0.052817 -0.138405 0.180662 0.242708 0.112554 7C 2dxz -0.066669 0.057026 -0.125323 0.131666 0.271621 0.121562 7C 2dyz -0.074580 0.054006 -0.133379 0.182023 0.174043 0.074810 7C 2dx2y2 0.088267 -0.067393 0.158599 -0.183111 -0.364983 -0.161972 7C 2dxy 0.009525 -0.003240 0.017137 -0.020570 -0.084433 -0.039666 7C 1f0 -0.003063 0.000613 -0.003581 0.008115 -0.045895 -0.019266 7C 1f+1 -0.005597 0.002294 -0.007521 0.014697 -0.105489 -0.044865 7C 1f-1 -0.037661 0.024436 -0.055863 0.073908 0.003658 0.001892 7C 1f+2 0.013312 -0.007736 0.019097 -0.031191 0.080893 0.035012 7C 1f-2 -0.012549 0.007859 -0.018208 0.025563 0.001510 0.000310 7C 1f+3 -0.008877 0.006547 -0.013866 0.015659 0.013984 0.006479 7C 1f-3 -0.000781 0.000060 0.000432 0.001865 -0.092654 -0.041465 8C 1s -0.789447 -0.881546 0.645207 0.347791 0.030122 0.040829 8C 2s 1.000756 1.117656 -0.818095 -0.441039 -0.038258 -0.051950 8C 3s -0.890802 -0.979892 0.717200 0.390714 0.082767 0.116394 8C 4s 0.332626 0.283888 -0.197183 -0.133015 -0.683249 -0.941581 8C 5s -1.139517 -1.282699 1.050203 0.533611 0.523571 0.793358 8C 1pz 0.014689 0.015314 -0.011182 -0.006874 0.000658 0.001076 8C 1px 0.010245 0.010881 -0.008021 -0.004490 0.003891 0.005881 8C 1py -0.027083 -0.028513 0.020466 0.011269 -0.005626 -0.008112 8C 2pz 0.002040 0.029417 -0.029080 -0.003000 0.248860 0.335974 8C 2px -0.015541 -0.002820 -0.002761 0.002068 0.115588 0.148967 8C 2py 0.026891 -0.017997 0.025069 -0.005096 -0.368189 -0.488327 8C 3pz 0.060682 0.073082 -0.062380 -0.015374 -0.034526 -0.078917 8C 3px 0.022131 0.028619 -0.030107 -0.011170 -0.076469 -0.109247 8C 3py -0.067572 -0.081106 0.080548 0.043079 0.139347 0.199543 8C 1dz2 0.002200 0.003147 -0.001689 0.000325 0.003539 0.003570 8C 1dxz 0.001058 0.000575 0.000101 0.000129 0.001154 0.000694 8C 1dyz 0.007131 0.009303 -0.007175 -0.003786 0.004960 0.007098 8C 1dx2y2 -0.000971 0.000156 -0.000460 0.000844 -0.001816 -0.001953 8C 1dxy 0.000781 0.002022 -0.001679 -0.000686 0.001455 0.002762 8C 2dz2 -0.017244 -0.016519 0.010324 0.002093 -0.005268 -0.004692 8C 2dxz -0.004702 -0.011898 0.009560 0.000705 -0.053517 -0.069991 8C 2dyz -0.053811 -0.045159 0.031784 0.024918 0.023191 0.027106 8C 2dx2y2 -0.010553 -0.001671 -0.001048 0.001547 0.081634 0.109526 8C 2dxy -0.011999 -0.005401 0.001265 0.003422 0.053990 0.069944 8C 1f0 0.022218 0.023151 -0.017330 -0.009335 0.023797 0.031766 8C 1f+1 0.010663 0.012092 -0.009153 -0.004559 -0.003936 -0.005028 8C 1f-1 0.030058 0.033222 -0.024591 -0.013763 0.008128 0.010915 8C 1f+2 -0.062835 -0.072758 0.052704 0.027959 0.024871 0.032693 8C 1f-2 -0.047723 -0.055395 0.040796 0.021280 0.024605 0.032157 8C 1f+3 0.007945 0.011053 -0.008510 -0.003710 -0.027107 -0.035708 8C 1f-3 0.005933 0.005361 -0.003647 -0.002401 0.018148 0.023866 9C 1s 0.543292 -0.332813 0.743954 -0.989259 0.027904 0.010293 9C 2s -0.688742 0.421976 -0.943338 1.254438 -0.035371 -0.012942 9C 3s 0.617371 -0.373291 0.831619 -1.100924 0.078769 0.031489 9C 4s -0.257735 0.123313 -0.256092 0.322484 -0.664351 -0.292918 9C 5s 0.764084 -0.515167 1.203354 -1.485736 0.503887 0.196814 9C 1pz -0.018973 0.010666 -0.023890 0.031580 0.004458 0.002219 9C 1px -0.004262 0.002293 -0.005647 0.007492 0.004410 0.002046 9C 1py -0.012335 0.007648 -0.015610 0.020390 0.002964 0.001289 9C 2pz 0.032958 0.001431 -0.017520 0.025019 0.372266 0.169062 9C 2px 0.017849 -0.009329 0.014776 -0.016281 0.027907 0.014287 9C 2py 0.020591 0.000239 -0.014729 0.019928 0.248889 0.105502 9C 3pz -0.044945 0.046024 -0.095892 0.103759 -0.119830 -0.071347 9C 3px -0.002079 0.004551 -0.007395 0.005933 -0.072824 -0.044971 9C 3py -0.036459 0.015444 -0.069726 0.084178 -0.072130 0.000548 9C 1dz2 0.000717 0.000263 0.002397 -0.003595 -0.000646 -0.002531 9C 1dxz -0.002256 0.001347 -0.002095 0.002475 0.001022 0.000176 9C 1dyz 0.003492 -0.003506 0.006933 -0.009270 -0.004398 -0.000921 9C 1dx2y2 0.001841 -0.000116 0.001160 -0.002251 -0.003039 -0.002419 9C 1dxy 0.001382 -0.000637 0.002171 -0.003456 -0.003284 -0.002856 9C 2dz2 -0.021726 0.004094 -0.015707 0.021511 -0.052424 -0.016279 9C 2dxz 0.007437 -0.007903 0.016459 -0.020813 -0.061951 -0.024733 9C 2dyz -0.042070 0.022379 -0.037789 0.047192 -0.045007 -0.023376 9C 2dx2y2 -0.005664 0.003609 -0.013678 0.019643 0.064376 0.033644 9C 2dxy -0.008459 0.004306 -0.009188 0.010950 0.000838 0.001458 9C 1f0 -0.011737 0.007974 -0.017195 0.022808 -0.008481 -0.003810 9C 1f+1 -0.004367 0.003139 -0.007950 0.010292 -0.014830 -0.005808 9C 1f-1 -0.010951 0.007661 -0.017618 0.025154 -0.040794 -0.018058 9C 1f+2 0.031742 -0.019936 0.045525 -0.061222 0.023243 0.010285 9C 1f-2 -0.035389 0.021959 -0.049435 0.066250 -0.009760 -0.004509 9C 1f+3 0.032631 -0.019743 0.044358 -0.059022 -0.008867 -0.004349 9C 1f-3 0.007217 -0.004440 0.008832 -0.011901 -0.009742 -0.003914 10H 1s -0.017335 -0.013268 -0.026406 -0.025319 -0.015362 0.006260 10H 2s -0.107151 -0.074523 -0.153244 -0.148724 -0.053654 0.024346 10H 3s -0.119724 -0.093639 -0.188185 -0.173184 -0.045049 0.017674 10H 1pz -0.045850 -0.033474 -0.067231 -0.065109 0.007896 -0.003524 10H 1px 0.077528 0.056938 0.114127 0.109594 0.026056 -0.010939 10H 1py -0.013407 -0.009763 -0.019413 -0.019121 0.005905 -0.002305 11H 1s -0.021125 -0.015562 -0.030765 -0.029509 0.005333 -0.002181 11H 2s -0.140914 -0.106352 -0.209150 -0.198711 0.041864 -0.012492 11H 3s -0.139519 -0.101854 -0.217541 -0.198506 0.008231 -0.026452 11H 1pz -0.056104 -0.041897 -0.083958 -0.080394 0.012460 -0.004777 11H 1px -0.062714 -0.046776 -0.092494 -0.088654 0.004737 -0.000847 11H 1py 0.043628 0.032328 0.063462 0.060929 0.018252 -0.009106 12H 1s -0.020308 -0.014682 -0.029699 -0.028478 -0.001642 0.000472 12H 2s -0.137094 -0.101037 -0.199566 -0.193175 0.022401 -0.013195 12H 3s -0.132547 -0.106115 -0.207086 -0.186984 -0.012005 0.014237 12H 1pz 0.022347 0.015752 0.032354 0.030980 0.023790 -0.009632 12H 1px -0.042776 -0.031458 -0.062786 -0.060462 0.008822 -0.004535 12H 1py -0.082296 -0.060975 -0.121328 -0.116945 0.000859 -0.001828 13H 1s 0.025654 -0.029620 -0.015280 0.012468 -0.014164 0.017304 13H 2s 0.153361 -0.169313 -0.086042 0.076688 -0.045488 0.067717 13H 3s 0.171162 -0.195073 -0.108818 0.090131 -0.045199 0.058793 13H 1pz 0.081542 -0.092258 -0.047297 0.040604 -0.007931 0.010665 13H 1px -0.090958 0.102612 0.052860 -0.044650 0.021942 -0.029637 13H 1py -0.042136 0.047664 0.024209 -0.021041 -0.014866 0.019603 14H 1s 0.027937 -0.031635 -0.016451 0.013382 -0.004503 0.004737 14H 2s 0.182297 -0.209124 -0.107045 0.090348 0.009010 -0.009816 14H 3s 0.187743 -0.205832 -0.114369 0.099788 -0.018285 0.028371 14H 1pz 0.060421 -0.069200 -0.035589 0.030205 -0.002367 0.002279 14H 1px 0.116400 -0.132585 -0.068229 0.057335 0.001743 -0.002825 14H 1py 0.021667 -0.024134 -0.012507 0.010057 -0.025950 0.034865 15H 1s 0.030554 -0.034345 -0.017428 0.014704 0.006940 -0.009875 15H 2s 0.198283 -0.222998 -0.116141 0.100284 0.044590 -0.061078 15H 3s 0.201450 -0.224262 -0.125924 0.097072 0.010837 0.007564 15H 1pz -0.087568 0.098595 0.050455 -0.043577 0.014082 -0.017673 15H 1px 0.026097 -0.029774 -0.015495 0.012937 0.010136 -0.013739 15H 1py -0.097227 0.110551 0.057285 -0.048377 -0.012896 0.018887 16H 1s 0.000968 0.000283 0.000128 -0.000361 0.001397 -0.000152 16H 2s 0.006414 -0.007521 -0.005467 0.008780 0.009450 -0.003528 16H 3s 0.007033 -0.002278 0.008376 0.003840 -0.026393 -0.001176 16H 1pz 0.001706 -0.002371 -0.001213 0.000915 0.002418 -0.002014 16H 1px -0.000127 0.000199 0.000490 0.000662 0.000233 0.000749 16H 1py 0.000230 0.000401 -0.000003 0.000267 0.001232 0.000185 17H 1s -0.001269 0.000384 0.000030 -0.000104 0.001386 0.000260 17H 2s 0.008405 -0.004522 -0.007866 0.000956 0.010876 0.011930 17H 3s -0.006963 -0.010012 0.003575 -0.004003 -0.026698 -0.003922 17H 1pz -0.001262 0.000846 0.000805 -0.001261 -0.002402 -0.002270 17H 1px -0.000753 -0.001071 0.000810 0.000367 -0.001603 -0.004983 17H 1py 0.000583 0.000661 -0.000246 -0.000570 0.001847 0.001861 18H 1s -0.001224 -0.000402 0.000093 0.000150 0.001405 -0.000273 18H 2s 0.008437 0.003499 -0.008012 -0.000177 0.010515 -0.011420 18H 3s -0.006788 0.010324 0.003049 0.003873 -0.026638 0.003725 18H 1pz 0.001226 0.000711 -0.001076 -0.001172 0.002463 -0.002299 18H 1px 0.000825 -0.001221 -0.000537 0.000358 0.001542 -0.004875 18H 1py -0.000616 0.000732 0.000009 -0.000545 -0.001765 0.001729 19H 1s 0.000978 -0.000249 0.000206 0.000298 0.001406 0.000153 19H 2s 0.005811 0.006823 -0.007532 -0.007995 0.009089 0.003808 19H 3s 0.006843 0.003398 0.007150 -0.005596 -0.026401 0.001003 19H 1pz -0.001572 -0.002200 0.001549 0.000716 -0.002238 -0.002035 19H 1px 0.000163 0.000137 -0.000391 0.000730 -0.000240 0.000766 19H 1py -0.000281 0.000353 0.000044 0.000319 -0.001310 0.000159 20H 1s 0.029269 0.032564 -0.023470 -0.012650 0.006859 0.009799 20H 2s 0.190165 0.211450 -0.156389 -0.086658 0.044457 0.061129 20H 3s 0.193246 0.211529 -0.165645 -0.081928 0.010999 -0.007588 20H 1pz 0.084036 0.093632 -0.068156 -0.037699 -0.014171 -0.017792 20H 1px -0.025943 -0.029247 0.021532 0.011508 -0.010234 -0.013907 20H 1py 0.092906 0.104453 -0.076704 -0.041459 0.012882 0.018921 21H 1s 0.026816 0.030008 -0.022006 -0.011429 -0.004327 -0.004521 21H 2s 0.175300 0.198878 -0.144480 -0.077916 0.009992 0.011107 21H 3s 0.180013 0.194492 -0.152912 -0.086251 -0.017854 -0.027688 21H 1pz -0.058655 -0.066450 0.048493 0.026309 0.002315 0.002220 21H 1px -0.111212 -0.125280 0.091374 0.049088 -0.002039 -0.003203 21H 1py -0.021065 -0.023183 0.016925 0.008714 0.025918 0.034903 22H 1s 0.024532 0.028012 -0.020420 -0.010608 -0.014269 -0.017481 22H 2s 0.146726 0.160344 -0.116307 -0.066661 -0.046076 -0.068702 22H 3s 0.163898 0.184023 -0.144162 -0.076803 -0.045461 -0.059160 22H 1pz -0.077547 -0.086811 0.063235 0.034761 0.007818 0.010551 22H 1px 0.087455 0.097569 -0.071278 -0.038543 -0.022170 -0.030011 22H 1py 0.040801 0.045699 -0.033048 -0.018390 0.014655 0.019344 23H 1s -0.018947 0.011334 -0.025709 0.034294 -0.001288 -0.000321 23H 2s -0.128304 0.078524 -0.173393 0.233168 0.023307 0.013943 23H 3s -0.124357 0.083033 -0.182014 0.227927 -0.010942 -0.014729 23H 1pz -0.021195 0.012283 -0.028429 0.037939 -0.023205 -0.009602 23H 1px 0.038781 -0.023663 0.052850 -0.070737 -0.008862 -0.004626 23H 1py 0.077178 -0.047484 0.105677 -0.141544 -0.001210 -0.002051 24H 1s -0.019655 0.012059 -0.026618 0.035453 0.004997 0.002095 24H 2s -0.131600 0.082707 -0.181802 0.239883 0.040805 0.012469 24H 3s -0.130043 0.077121 -0.189025 0.240572 0.007674 0.025454 24H 1pz 0.051924 -0.032178 0.072256 -0.096158 -0.012140 -0.004793 24H 1px 0.059432 -0.036884 0.081478 -0.108476 -0.004634 -0.000843 24H 1py -0.039892 0.024613 -0.053887 0.071865 -0.018201 -0.009237 25H 1s -0.016109 0.010288 -0.022882 0.030431 -0.015218 -0.006323 25H 2s -0.099984 0.057008 -0.131910 0.178650 -0.053337 -0.024845 25H 3s -0.111541 0.072266 -0.164151 0.209842 -0.044536 -0.018037 25H 1pz 0.043136 -0.026083 0.058621 -0.078979 -0.007381 -0.003382 25H 1px -0.072183 0.043933 -0.098632 0.131696 -0.025636 -0.011048 25H 1py 0.011764 -0.007103 0.015716 -0.021577 -0.006282 -0.002537 26O 1s -0.003787 -0.002465 -0.004777 -0.004196 0.011924 -0.004954 26O 2s -0.000041 -0.000026 -0.000034 -0.000077 0.001695 -0.000737 26O 3s 0.043341 0.028515 0.054677 0.048571 -0.235619 0.099035 26O 4s -0.145451 -0.098654 -0.191743 -0.169361 0.735082 -0.304209 26O 5s 0.128999 0.036829 0.032097 0.049272 0.159951 -0.120117 26O 1pz -0.005525 -0.004444 -0.009091 -0.008528 0.010178 -0.002621 26O 1px -0.005625 -0.004727 -0.008394 -0.008632 0.058669 -0.025318 26O 1py -0.005946 -0.004641 -0.010069 -0.009995 0.028618 -0.013167 26O 2pz 0.029992 0.024675 0.053962 0.048858 -0.076617 0.028517 26O 2px 0.035688 0.028944 0.057677 0.053684 -0.464116 0.201189 26O 2py 0.033243 0.028349 0.058923 0.054486 -0.222104 0.097304 26O 3pz -0.001658 0.013616 0.005518 -0.022879 -0.105716 0.034306 26O 3px -0.033751 0.009045 0.036764 -0.009642 -0.123568 0.042427 26O 3py -0.016914 -0.014528 -0.001255 -0.028551 -0.107097 0.038598 26O 1dz2 -0.001365 -0.001731 -0.001784 -0.001248 0.011012 -0.004521 26O 1dxz 0.004466 0.002301 0.005770 0.005372 -0.006149 0.003638 26O 1dyz 0.000810 0.000728 0.000651 0.000813 0.003202 -0.000884 26O 1dx2y2 -0.000212 -0.000689 -0.000178 0.000184 -0.007479 0.003221 26O 1dxy 0.002608 0.000723 0.002903 0.003105 -0.009934 0.003598 26O 2dz2 0.003423 0.004873 0.005463 0.002325 -0.133183 0.055796 26O 2dxz -0.017903 -0.011204 -0.026561 -0.024512 0.055023 -0.027171 26O 2dyz -0.008345 -0.006004 -0.010285 -0.011044 0.004875 -0.004417 26O 2dx2y2 0.000637 0.001353 0.000271 0.001144 0.138994 -0.059987 26O 2dxy -0.012712 -0.006730 -0.016814 -0.015534 0.161465 -0.067254 26O 1f0 0.000079 0.000140 -0.000853 -0.000710 0.014608 -0.007016 26O 1f+1 0.001029 0.000957 0.002540 0.002798 0.053075 -0.022632 26O 1f-1 -0.001619 -0.001073 -0.001800 -0.001478 0.026109 -0.010699 26O 1f+2 -0.000876 -0.000475 -0.000788 -0.001229 -0.017310 0.007872 26O 1f-2 0.001434 0.001680 0.002872 0.002598 -0.008841 0.004195 26O 1f+3 -0.001219 -0.000563 -0.001054 -0.000976 0.022567 -0.010420 26O 1f-3 -0.001193 -0.000617 -0.000711 -0.000338 0.068439 -0.029042 27O 1s 0.005035 -0.004828 -0.002529 0.001974 0.011886 -0.015289 27O 2s 0.000090 -0.000076 -0.000022 0.000115 0.001765 -0.002312 27O 3s -0.059197 0.055357 0.029491 -0.026543 -0.238204 0.306817 27O 4s 0.200421 -0.191871 -0.105177 0.093591 0.745197 -0.941772 27O 5s -0.095215 0.058360 -0.037968 0.036008 0.202776 -0.352406 27O 1pz 0.004694 -0.006454 -0.003914 0.002728 -0.000734 0.003539 27O 1px 0.011201 -0.012855 -0.006758 0.007393 0.065073 -0.085938 27O 1py -0.008531 0.009575 0.005341 -0.005283 -0.017565 0.019986 27O 2pz -0.023704 0.031900 0.020143 -0.015151 0.009011 -0.019874 27O 2px -0.071652 0.073526 0.046566 -0.052100 -0.516833 0.674375 27O 2py 0.050343 -0.056751 -0.034956 0.031509 0.136014 -0.166437 27O 3pz 0.007013 -0.014781 -0.012440 0.036023 -0.046385 0.053339 27O 3px 0.009472 -0.017372 0.046004 -0.022748 -0.160071 0.148410 27O 3py 0.016237 -0.007325 -0.017599 -0.000818 0.112308 -0.122820 27O 1dz2 0.001845 -0.001763 -0.000478 -0.000012 0.006282 -0.007734 27O 1dxz -0.002927 0.002525 0.000903 -0.000899 -0.000549 0.002582 27O 1dyz -0.001656 0.002374 0.001202 0.000154 -0.006032 0.007936 27O 1dx2y2 -0.001575 0.000998 0.000672 -0.001444 -0.014194 0.016787 27O 1dxy 0.006364 -0.006246 -0.003545 0.003019 0.007019 -0.010375 27O 2dz2 -0.011337 0.009333 0.005428 -0.005532 -0.123199 0.159659 27O 2dxz 0.012839 -0.013514 -0.005773 0.004924 -0.012681 0.010209 27O 2dyz -0.000155 -0.001604 -0.001668 -0.002551 0.023452 -0.028078 27O 2dx2y2 0.007207 -0.001753 -0.003902 0.008177 0.207544 -0.264000 27O 2dxy -0.030581 0.031061 0.018359 -0.016526 -0.099660 0.134719 27O 1f0 -0.002476 0.002311 0.001011 -0.000905 -0.007966 0.009612 27O 1f+1 0.001586 -0.000719 -0.000461 0.000827 0.055040 -0.072701 27O 1f-1 -0.002141 0.001910 0.001103 -0.001498 -0.011632 0.015356 27O 1f+2 -0.000438 0.000650 0.000607 -0.000399 0.004298 -0.005516 27O 1f-2 0.002594 -0.003639 -0.001641 0.001225 -0.010570 0.013555 27O 1f+3 -0.000196 0.002186 0.001164 0.000158 0.063660 -0.083507 27O 1f-3 -0.001282 0.001211 0.001082 -0.000960 -0.046003 0.061053 28O 1s -0.003584 -0.001931 -0.004479 -0.003518 0.011917 -0.004961 28O 2s -0.000157 -0.000173 -0.000200 -0.000174 0.001773 -0.000764 28O 3s 0.045860 0.028463 0.058310 0.044243 -0.239622 0.100518 28O 4s -0.149971 -0.099569 -0.199485 -0.152220 0.756864 -0.312889 28O 5s -0.002088 -0.101882 -0.159225 -0.077973 0.224673 -0.133380 28O 1pz -0.008723 -0.008320 -0.013454 -0.012717 0.044093 -0.017552 28O 1px 0.006610 0.005960 0.010072 0.008918 -0.050663 0.022830 28O 1py -0.002589 -0.003033 -0.005745 -0.005511 0.007794 -0.003732 28O 2pz 0.057058 0.055908 0.094847 0.075745 -0.353989 0.147585 28O 2px -0.044200 -0.042747 -0.068600 -0.048611 0.404319 -0.175409 28O 2py 0.016866 0.020258 0.035956 0.030629 -0.062092 0.026254 28O 3pz 0.062439 0.067953 0.137435 0.078380 -0.195098 0.072040 28O 3px 0.017935 -0.018867 -0.037759 0.027858 0.093436 -0.033465 28O 3py 0.038617 0.006019 0.053313 0.047864 -0.085128 0.034978 28O 1dz2 0.004499 0.002045 0.006341 0.005260 -0.001803 0.001527 28O 1dxz -0.004368 -0.003512 -0.005950 -0.004577 0.016214 -0.006987 28O 1dyz 0.001756 0.000763 0.001358 -0.000193 0.002882 -0.001409 28O 1dx2y2 -0.001098 -0.001480 -0.002098 -0.001998 -0.006587 0.001814 28O 1dxy -0.003758 -0.001878 -0.004371 -0.004830 0.006129 -0.002314 28O 2dz2 -0.021252 -0.012985 -0.031972 -0.026585 0.028582 -0.015657 28O 2dxz 0.023212 0.020891 0.034184 0.022064 -0.227612 0.096978 28O 2dyz -0.013459 -0.008277 -0.015581 -0.009693 0.012662 -0.005364 28O 2dx2y2 0.001458 0.000875 0.003647 0.007690 0.124226 -0.049791 28O 2dxy 0.013859 0.008695 0.018788 0.018162 -0.047185 0.018494 28O 1f0 0.001259 0.001128 0.002670 0.003063 0.031721 -0.013199 28O 1f+1 -0.001920 -0.001624 -0.003423 -0.002296 0.045975 -0.020718 28O 1f-1 0.001985 0.001855 0.003341 0.003820 0.001607 -0.000631 28O 1f+2 0.001636 0.001283 0.000657 -0.000688 -0.069362 0.029421 28O 1f-2 -0.002754 -0.002185 -0.004205 -0.003705 0.015799 -0.006060 28O 1f+3 0.000723 0.000084 0.000057 -0.000016 -0.030323 0.012893 28O 1f-3 0.001559 0.000961 0.002172 0.002715 0.015978 -0.006263 29O 1s 0.000172 -0.000126 -0.000278 0.000242 0.001187 0.000004 29O 2s -0.000025 0.000011 0.000013 -0.000024 -0.000288 -0.000014 29O 3s -0.000975 0.001009 0.002997 -0.002047 -0.006658 0.000754 29O 4s 0.005173 -0.004486 -0.016689 0.007726 0.021988 -0.001553 29O 5s -0.024716 0.016093 0.057012 -0.022205 -0.075959 -0.008694 29O 1pz 0.000287 0.001000 0.000565 0.000705 -0.001710 0.000817 29O 1px 0.000192 0.000375 0.000108 0.000160 0.004596 0.000512 29O 1py 0.000041 -0.000804 0.000716 0.000372 -0.001659 -0.000684 29O 2pz -0.000792 -0.005176 -0.002824 -0.002249 0.005734 -0.006736 29O 2px -0.001898 -0.001274 0.001290 -0.001067 -0.015339 -0.004536 29O 2py 0.000885 0.002956 -0.003235 -0.001169 0.008413 0.004533 29O 3pz 0.004867 0.006030 0.017119 0.013674 -0.017405 -0.002335 29O 3px 0.005540 0.005224 -0.022461 0.006234 0.043520 0.003264 29O 3py 0.009828 -0.016567 -0.003518 0.008978 -0.003652 -0.001622 29O 1dz2 0.000367 0.000055 0.000061 -0.000222 0.001045 0.000099 29O 1dxz 0.000084 -0.000160 0.000575 0.000441 0.001151 0.000088 29O 1dyz 0.000650 0.000310 0.000312 0.000446 0.000254 -0.000437 29O 1dx2y2 0.000123 0.000131 -0.000634 0.000078 -0.001741 0.000037 29O 1dxy 0.000409 -0.000486 0.000182 0.000239 -0.000833 -0.000407 29O 2dz2 -0.001368 0.000269 0.000053 0.000213 -0.003454 0.000090 29O 2dxz -0.000476 0.000147 -0.001368 -0.000719 -0.003405 -0.001511 29O 2dyz -0.001636 0.000336 -0.000705 -0.001511 -0.000560 0.003560 29O 2dx2y2 -0.000207 -0.000435 0.001844 -0.000140 0.003796 0.000018 29O 2dxy -0.000454 0.000987 -0.000699 -0.000265 0.003179 0.002292 29O 1f0 0.000127 0.000054 -0.000066 0.000269 0.000081 0.000188 29O 1f+1 0.000056 0.000034 -0.000053 0.000026 0.000262 -0.000207 29O 1f-1 0.000282 -0.000150 -0.000390 0.000108 0.000851 0.000112 29O 1f+2 -0.000315 0.000199 0.000019 -0.000070 0.000621 0.000261 29O 1f-2 0.000257 -0.000056 -0.000366 -0.000062 0.000925 0.000430 29O 1f+3 -0.000186 0.000197 -0.000005 -0.000261 0.000859 -0.000193 29O 1f-3 -0.000131 0.000169 0.000040 0.000123 0.000259 -0.000228 30O 1s 0.004901 -0.004120 -0.002421 0.001911 0.012027 -0.015283 30O 2s 0.000197 -0.000226 -0.000096 0.000061 0.001749 -0.002335 30O 3s -0.062290 0.053234 0.031368 -0.023214 -0.239630 0.307908 30O 4s 0.207037 -0.183913 -0.108985 0.078749 0.752689 -0.951558 30O 5s 0.024146 -0.102472 -0.117789 0.027530 0.199645 -0.380242 30O 1pz 0.009737 -0.012282 -0.006149 0.004597 0.033883 -0.043348 30O 1px -0.006965 0.007446 0.003874 -0.003101 -0.045505 0.062801 30O 1py -0.010525 0.013029 0.006740 -0.005290 -0.036260 0.046057 30O 2pz -0.061855 0.070965 0.041513 -0.027408 -0.268556 0.348341 30O 2px 0.048199 -0.046177 -0.028792 0.016473 0.360614 -0.482599 30O 2py 0.071196 -0.082383 -0.049380 0.030858 0.289253 -0.373142 30O 3pz -0.042243 0.031110 0.050510 -0.009071 -0.132994 0.137136 30O 3px -0.015794 0.015002 -0.035525 -0.015534 0.054619 -0.049977 30O 3py 0.093909 -0.083937 -0.083321 0.063484 0.178304 -0.189863 30O 1dz2 -0.001442 0.001666 0.000641 -0.001684 -0.001054 0.002534 30O 1dxz 0.001770 -0.001955 -0.001073 -0.000153 0.010837 -0.013512 30O 1dyz 0.004509 -0.002925 -0.002159 0.001084 0.003928 -0.005036 30O 1dx2y2 0.006189 -0.006407 -0.003408 0.001992 -0.001429 0.000207 30O 1dxy -0.006097 0.006302 0.003143 -0.002961 -0.015169 0.019344 30O 2dz2 0.003000 -0.004628 -0.001586 0.004569 -0.024017 0.028591 30O 2dxz -0.012218 0.010353 0.007813 -0.001788 -0.157583 0.203699 30O 2dyz -0.030455 0.025741 0.016838 -0.009549 -0.104401 0.138760 30O 2dx2y2 -0.026097 0.029227 0.015311 -0.010199 0.041996 -0.049303 30O 2dxy 0.026991 -0.026232 -0.016287 0.011466 0.178902 -0.231233 30O 1f0 0.002372 -0.002307 -0.001055 0.000961 0.037375 -0.049713 30O 1f+1 -0.001869 0.002545 0.001032 -0.000893 0.011100 -0.015281 30O 1f-1 0.001301 -0.001866 -0.000885 0.000588 0.004025 -0.005696 30O 1f+2 0.001831 -0.003420 -0.001905 0.001660 -0.024102 0.031012 30O 1f-2 -0.004612 0.003571 0.002276 -0.001893 -0.065961 0.087123 30O 1f+3 0.001150 -0.001278 -0.001229 -0.000004 0.020439 -0.027090 30O 1f-3 0.002220 -0.003973 -0.001820 0.001759 -0.050689 0.066542 31O 1s 0.004742 0.003888 -0.003166 -0.001666 0.012043 0.015335 31O 2s 0.000189 0.000217 -0.000134 -0.000051 0.001749 0.002341 31O 3s -0.060242 -0.050287 0.040930 0.020014 -0.239877 -0.308860 31O 4s 0.199990 0.173554 -0.141808 -0.067169 0.753518 0.954639 31O 5s 0.021878 0.090388 -0.134624 -0.008004 0.199620 0.381256 31O 1pz -0.009278 -0.011628 0.008223 0.003855 -0.033938 -0.043488 31O 1px 0.006714 0.007116 -0.005251 -0.002679 0.045567 0.062999 31O 1py 0.010044 0.012355 -0.009032 -0.004418 0.036264 0.046168 31O 2pz 0.059162 0.066734 -0.053798 -0.022322 0.268883 0.349467 31O 2px -0.046623 -0.043684 0.036989 0.013286 -0.361011 -0.484084 31O 2py -0.068218 -0.077485 0.063498 0.024530 -0.289361 -0.374073 31O 3pz 0.042215 0.026934 -0.055931 -0.002257 0.133362 0.138018 31O 3px 0.015630 0.019312 0.031341 -0.022133 -0.054549 -0.050285 31O 3py -0.090297 -0.075852 0.103156 0.052601 -0.178792 -0.191122 31O 1dz2 -0.001365 -0.001629 0.001114 0.001601 -0.001052 -0.002542 31O 1dxz 0.001757 0.001874 -0.001263 0.000282 0.010846 0.013568 31O 1dyz 0.004412 0.002758 -0.002662 -0.000905 0.003927 0.005056 31O 1dx2y2 0.006013 0.006098 -0.004409 -0.001630 -0.001431 -0.000223 31O 1dxy -0.005861 -0.005985 0.004306 0.002631 -0.015194 -0.019411 31O 2dz2 0.002833 0.004549 -0.002848 -0.004323 -0.024004 -0.028596 31O 2dxz -0.011949 -0.009713 0.009373 0.000892 -0.157738 -0.204374 31O 2dyz -0.029574 -0.024277 0.021289 0.007816 -0.104469 -0.139157 31O 2dx2y2 -0.025263 -0.027784 0.020018 0.008479 0.042057 0.049524 31O 2dxy 0.025991 0.024646 -0.021100 -0.009614 0.179046 0.231866 31O 1f0 -0.002289 -0.002218 0.001485 0.000864 -0.037405 -0.049841 31O 1f+1 0.001773 0.002418 -0.001433 -0.000771 -0.011128 -0.015368 31O 1f-1 -0.001275 -0.001803 0.001201 0.000496 -0.004043 -0.005738 31O 1f+2 -0.001733 -0.003228 0.002535 0.001376 0.024131 0.031120 31O 1f-2 0.004443 0.003364 -0.003000 -0.001660 0.066009 0.087361 31O 1f+3 -0.001131 -0.001162 0.001365 -0.000162 -0.020442 -0.027133 31O 1f-3 -0.002107 -0.003784 0.002509 0.001501 0.050730 0.066712 32O 1s 0.000161 0.000096 -0.000324 -0.000200 0.001182 0.000005 32O 2s -0.000024 -0.000010 0.000017 0.000023 -0.000286 0.000012 32O 3s -0.000884 -0.000708 0.003390 0.001535 -0.006658 -0.000803 32O 4s 0.004839 0.002729 -0.018106 -0.004950 0.021934 0.001769 32O 5s -0.023733 -0.009701 0.060876 0.013385 -0.075255 0.007739 32O 1pz -0.000277 0.000946 -0.000526 0.000838 0.001645 0.000835 32O 1px -0.000187 0.000370 -0.000115 0.000194 -0.004612 0.000475 32O 1py -0.000026 -0.000879 -0.000545 0.000491 0.001645 -0.000654 32O 2pz 0.000845 -0.004884 0.002857 -0.002933 -0.005370 -0.006810 32O 2px 0.001882 -0.001469 -0.001289 -0.001006 0.015373 -0.004347 32O 2py -0.000937 0.003298 0.002608 -0.001621 -0.008302 0.004286 32O 3pz -0.003939 0.004303 -0.014879 0.016781 0.017026 -0.002160 32O 3px -0.005196 0.007797 0.022543 0.002601 -0.043553 0.003017 32O 3py -0.009381 -0.016115 0.006493 0.008921 0.003894 -0.001936 32O 1dz2 0.000382 -0.000038 0.000109 0.000211 0.001039 -0.000101 32O 1dxz 0.000043 0.000217 0.000464 -0.000533 0.001149 -0.000085 32O 1dyz 0.000619 -0.000259 0.000232 -0.000528 0.000267 0.000434 32O 1dx2y2 0.000110 -0.000204 -0.000638 0.000041 -0.001735 -0.000065 32O 1dxy 0.000385 0.000516 0.000091 -0.000282 -0.000831 0.000402 32O 2dz2 -0.001367 -0.000230 0.000006 -0.000220 -0.003404 0.000007 32O 2dxz -0.000426 -0.000248 -0.001206 0.000992 -0.003406 0.001522 32O 2dyz -0.001511 -0.000460 -0.000301 0.001646 -0.000598 -0.003533 32O 2dx2y2 -0.000190 0.000666 0.001831 -0.000203 0.003750 0.000123 32O 2dxy -0.000404 -0.001096 -0.000516 0.000360 0.003140 -0.002198 32O 1f0 -0.000100 0.000072 0.000084 0.000270 -0.000043 0.000174 32O 1f+1 -0.000045 0.000038 0.000042 0.000012 -0.000237 -0.000220 32O 1f-1 -0.000279 -0.000085 0.000411 0.000067 -0.000858 0.000128 32O 1f+2 0.000321 0.000205 -0.000068 -0.000069 -0.000589 0.000252 32O 1f-2 -0.000267 -0.000011 0.000347 -0.000097 -0.000909 0.000415 32O 1f+3 0.000170 0.000192 -0.000045 -0.000277 -0.000889 -0.000166 32O 1f-3 0.000138 0.000156 -0.000026 0.000120 -0.000267 -0.000252 33O 1s -0.003410 0.001405 -0.003964 0.004426 0.011721 0.004998 33O 2s -0.000150 0.000150 -0.000185 0.000216 0.001743 0.000767 33O 3s 0.043735 -0.021632 0.052302 -0.056144 -0.235688 -0.101198 33O 4s -0.142677 0.076337 -0.179088 0.192584 0.744764 0.315069 33O 5s 0.000499 0.085824 -0.155834 0.107526 0.220744 0.132955 33O 1pz 0.008139 -0.006794 0.011878 -0.015351 -0.043334 -0.017640 33O 1px -0.006222 0.004829 -0.008981 0.010947 0.049829 0.022970 33O 1py 0.002295 -0.002391 0.004963 -0.006520 -0.007739 -0.003763 33O 2pz -0.053532 0.045125 -0.085780 0.094306 0.347851 0.148253 33O 2px 0.042141 -0.034961 0.063537 -0.062647 -0.397931 -0.176558 33O 2py -0.015367 0.016276 -0.032051 0.037284 0.061635 0.026560 33O 3pz -0.059482 0.052554 -0.128527 0.105561 0.192600 0.072447 33O 3px -0.016496 -0.014923 0.044415 0.021061 -0.092908 -0.033672 33O 3py -0.037411 0.000674 -0.046039 0.060297 0.084426 0.035598 33O 1dz2 0.004205 -0.001308 0.005475 -0.006480 -0.001745 -0.001515 33O 1dxz -0.004155 0.002820 -0.005410 0.005788 0.015942 0.007015 33O 1dyz 0.001791 -0.000608 0.001487 -0.000210 0.002825 0.001418 33O 1dx2y2 -0.001021 0.001244 -0.001868 0.002392 -0.006537 -0.001852 33O 1dxy -0.003568 0.001408 -0.003707 0.005797 0.006049 0.002343 33O 2dz2 -0.019825 0.009282 -0.027915 0.032716 0.027702 0.015538 33O 2dxz 0.022247 -0.016919 0.031915 -0.029067 -0.223742 -0.097487 33O 2dyz -0.013110 0.006531 -0.014646 0.013267 0.012630 0.005469 33O 2dx2y2 0.001090 -0.000512 0.002326 -0.008239 0.122467 0.050233 33O 2dxy 0.013168 -0.006689 0.016448 -0.022233 -0.046755 -0.018771 33O 1f0 -0.001080 0.000822 -0.002168 0.003491 -0.031246 -0.013319 33O 1f+1 0.001800 -0.001220 0.003107 -0.002956 -0.044998 -0.020756 33O 1f-1 -0.001841 0.001505 -0.002856 0.004508 -0.001565 -0.000627 33O 1f+2 -0.001673 0.001156 -0.000866 -0.000500 0.068189 0.029613 33O 1f-2 0.002615 -0.001732 0.003758 -0.004597 -0.015659 -0.006162 33O 1f+3 -0.000711 0.000055 -0.000040 0.000001 0.029865 0.013002 33O 1f-3 -0.001411 0.000708 -0.001734 0.003108 -0.015846 -0.006366 34O 1s 0.004872 0.004589 -0.003376 -0.001717 0.011903 0.015336 34O 2s 0.000081 0.000071 -0.000050 -0.000112 0.001766 0.002318 34O 3s -0.057050 -0.052479 0.039870 0.023484 -0.238489 -0.307727 34O 4s 0.192972 0.181581 -0.141405 -0.082287 0.746101 0.944645 34O 5s -0.097564 -0.066333 -0.035889 -0.023962 0.202899 0.352895 34O 1pz -0.004463 -0.006035 0.005029 0.002211 0.000725 0.003547 34O 1px -0.010582 -0.012095 0.009326 0.006529 -0.065130 -0.086166 34O 1py 0.008166 0.009067 -0.007253 -0.004622 0.017595 0.020091 34O 2pz 0.022506 0.029758 -0.025925 -0.012433 -0.009074 -0.019994 34O 2px 0.067638 0.068254 -0.062951 -0.046020 0.517333 0.676213 34O 2py -0.048077 -0.053240 0.046247 0.026998 -0.136301 -0.167190 34O 3pz -0.005347 -0.013145 0.020055 0.033945 0.046334 0.053297 34O 3px -0.010821 -0.023498 -0.047374 -0.013928 0.160219 0.148616 34O 3py -0.014737 -0.004477 0.017500 -0.003437 -0.112314 -0.122956 34O 1dz2 0.001821 0.001719 -0.000661 0.000024 0.006285 0.007749 34O 1dxz -0.002851 -0.002462 0.001326 0.000847 -0.000535 -0.002588 34O 1dyz -0.001602 -0.002253 0.001407 -0.000301 -0.006036 -0.007960 34O 1dx2y2 -0.001491 -0.000929 0.001015 0.001376 -0.014188 -0.016814 34O 1dxy 0.006098 0.005856 -0.004671 -0.002608 0.007034 0.010398 34O 2dz2 -0.010873 -0.008718 0.007349 0.004955 -0.123316 -0.160087 34O 2dxz 0.012433 0.013000 -0.008001 -0.004344 -0.012833 -0.010349 34O 2dyz -0.000121 0.001426 -0.001352 0.002817 0.023500 0.028199 34O 2dx2y2 0.006686 0.001261 -0.005484 -0.007680 0.207660 0.264643 34O 2dxy -0.029179 -0.029008 0.024249 0.014282 -0.099874 -0.135183 34O 1f0 0.002396 0.002222 -0.001424 -0.000824 0.008024 0.009690 34O 1f+1 -0.001504 -0.000658 0.000678 0.000792 -0.055082 -0.072893 34O 1f-1 0.002020 0.001781 -0.001545 -0.001357 0.011647 0.015407 34O 1f+2 0.000426 0.000594 -0.000739 -0.000306 -0.004351 -0.005581 34O 1f-2 -0.002470 -0.003465 0.002217 0.001016 0.010607 0.013622 34O 1f+3 0.000173 0.002041 -0.001323 0.000363 -0.063684 -0.083701 34O 1f-3 0.001182 0.001058 -0.001349 -0.000803 0.046091 0.061266 35O 1s -0.003595 0.001909 -0.004215 0.005168 0.011725 0.004990 35O 2s -0.000037 0.000021 -0.000021 0.000080 0.001665 0.000740 35O 3s 0.041149 -0.022135 0.048098 -0.059579 -0.231622 -0.099665 35O 4s -0.137894 0.076511 -0.168808 0.207867 0.722819 0.306133 35O 5s 0.127120 -0.031793 0.028033 -0.063710 0.155271 0.119196 35O 1pz 0.005164 -0.003458 0.007947 -0.010338 -0.010056 -0.002635 35O 1px 0.005226 -0.003767 0.007172 -0.010195 -0.057616 -0.025449 35O 1py 0.005438 -0.003504 0.008571 -0.011866 -0.028184 -0.013247 35O 2pz -0.027831 0.018788 -0.047163 0.059285 0.075400 0.028578 35O 2px -0.033323 0.022389 -0.049885 0.064290 0.455854 0.202144 35O 2py -0.030680 0.021748 -0.051110 0.065521 0.218693 0.097917 35O 3pz 0.001666 0.012056 -0.009290 -0.023314 0.103806 0.034787 35O 3px 0.033140 0.005202 -0.038023 -0.006031 0.121504 0.042430 35O 3py 0.015545 -0.014297 -0.002278 -0.029583 0.105611 0.038884 35O 1dz2 -0.001313 0.001513 -0.001704 0.001607 0.010801 0.004537 35O 1dxz 0.004151 -0.001615 0.004904 -0.006448 -0.006022 -0.003640 35O 1dyz 0.000786 -0.000629 0.000568 -0.000929 0.003170 0.000907 35O 1dx2y2 -0.000245 0.000678 -0.000312 -0.000085 -0.007360 -0.003236 35O 1dxy 0.002472 -0.000409 0.002407 -0.003704 -0.009786 -0.003627 35O 2dz2 0.003376 -0.004204 0.005392 -0.003349 -0.130852 -0.056092 35O 2dxz -0.016542 0.008101 -0.022725 0.029382 0.053913 0.027212 35O 2dyz -0.007853 0.004766 -0.008759 0.012989 0.004662 0.004369 35O 2dx2y2 0.000636 -0.001414 0.000429 -0.001511 0.136457 0.060247 35O 2dxy -0.012070 0.004847 -0.014508 0.018825 0.158903 0.067720 35O 1f0 -0.000139 0.000235 0.000670 -0.000812 -0.014292 -0.007027 35O 1f+1 -0.000861 0.000680 -0.002097 0.003235 -0.052129 -0.022757 35O 1f-1 0.001579 -0.000867 0.001639 -0.001880 -0.025693 -0.010778 35O 1f+2 0.000824 -0.000398 0.000636 -0.001434 0.016989 0.007905 35O 1f-2 -0.001296 0.001351 -0.002518 0.003108 0.008641 0.004200 35O 1f+3 0.001149 -0.000411 0.000876 -0.001154 -0.022072 -0.010438 35O 1f-3 0.001178 -0.000503 0.000664 -0.000470 -0.067326 -0.029256 756 757 758 759 760 761 23.32157 23.37181 43.52426 43.66817 43.85012 43.91926 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s -0.000055 -0.000013 -0.050758 -0.011927 -0.031335 0.012760 0Rh 2s -0.000219 -0.000044 -0.290774 -0.068595 -0.179847 0.073390 0Rh 3s -0.000482 -0.000107 -0.497066 -0.116942 -0.307068 0.125124 0Rh 4s 0.000410 0.000042 0.852599 0.202552 0.528159 -0.216214 0Rh 5s 0.000864 0.000469 -0.417998 -0.109305 -0.264797 0.111833 0Rh 6s -0.001642 -0.001131 0.155259 0.066620 0.121520 -0.052221 0Rh 7s 0.009468 0.006794 0.216203 0.066022 0.010442 0.000749 0Rh 8s 0.008754 -0.002066 -0.071905 0.188851 0.026910 -0.000505 0Rh 1pz 0.000489 0.000033 0.000519 -0.000321 -0.000413 -0.000984 0Rh 1px 0.000033 -0.000008 -0.001565 0.000797 0.001144 -0.000289 0Rh 1py 0.000602 0.000055 -0.000171 -0.000016 0.000170 0.000390 0Rh 2pz -0.002354 -0.000154 -0.002411 0.001478 0.001931 0.004535 0Rh 2px -0.000164 0.000039 0.007270 -0.003660 -0.005340 0.001327 0Rh 2py -0.002903 -0.000253 0.000793 0.000088 -0.000790 -0.001795 0Rh 3pz 0.013675 0.000744 0.011846 -0.007034 -0.009751 -0.020656 0Rh 3px 0.001051 -0.000217 -0.035830 0.017136 0.026813 -0.005848 0Rh 3py 0.016981 0.001209 -0.003891 -0.000780 0.003872 0.008156 0Rh 4pz -0.034180 -0.001591 -0.025710 0.015140 0.021507 0.035012 0Rh 4px -0.002888 0.000548 0.078284 -0.036243 -0.058756 0.008785 0Rh 4py -0.042657 -0.002505 0.008633 0.002502 -0.008062 -0.013775 0Rh 5pz 0.042314 0.002266 0.036143 -0.026869 -0.028064 -0.022394 0Rh 5px 0.004118 -0.000835 -0.110353 0.066683 0.075754 -0.002023 0Rh 5py 0.052691 0.002641 -0.012816 -0.002365 0.008924 0.008630 0Rh 6pz 0.032765 -0.006351 -0.145402 0.327323 0.157251 0.402002 0Rh 6px -0.007719 -0.000627 0.361210 -0.940035 -0.422124 0.125873 0Rh 6py 0.061316 0.017911 0.017563 -0.087083 -0.047800 -0.150192 0Rh 1dz2 -0.001334 -0.002814 0.000437 -0.000840 -0.000097 0.000149 0Rh 1dxz 0.002985 -0.000009 0.000479 -0.001041 -0.000145 -0.000303 0Rh 1dyz -0.000256 -0.007895 0.000359 -0.000406 -0.000072 -0.000131 0Rh 1dx2y2 -0.000588 -0.001267 -0.000773 0.001726 0.000172 -0.000135 0Rh 1dxy 0.004013 -0.002977 -0.001024 0.001135 0.000238 0.000067 0Rh 2dz2 0.003652 0.007927 -0.001477 0.002845 0.000146 -0.000543 0Rh 2dxz -0.008257 0.000033 -0.001625 0.003533 0.000250 0.000999 0Rh 2dyz 0.000654 0.022240 -0.001198 0.001363 0.000198 0.000441 0Rh 2dx2y2 0.001637 0.003574 0.002612 -0.005841 -0.000222 0.000526 0Rh 2dxy -0.011099 0.008388 0.003430 -0.003813 -0.000662 -0.000211 0Rh 3dz2 -0.005505 -0.012958 0.003028 -0.005917 0.000736 0.001367 0Rh 3dxz 0.012930 -0.000114 0.003329 -0.007359 0.000866 -0.001971 0Rh 3dyz -0.000717 -0.036430 0.002405 -0.002786 -0.000141 -0.000913 0Rh 3dx2y2 -0.002622 -0.005888 -0.005309 0.012111 -0.001612 -0.001480 0Rh 3dxy 0.017381 -0.013740 -0.006943 0.007795 0.000554 0.000358 0Rh 4dz2 0.005493 0.015490 -0.004164 0.010250 -0.006061 -0.003743 0Rh 4dxz -0.015481 0.000621 -0.004216 0.012607 -0.007875 0.003554 0Rh 4dyz -0.000682 0.044677 -0.003685 0.004715 -0.000996 0.001746 0Rh 4dx2y2 0.003480 0.007468 0.006765 -0.020666 0.012387 0.004479 0Rh 4dxy -0.020733 0.016768 0.011033 -0.013232 0.002747 -0.000491 0Rh 5dz2 -0.002673 -0.004591 -0.006703 -0.022103 0.015984 0.010624 0Rh 5dxz 0.022051 -0.003074 -0.012450 -0.025748 0.020439 -0.015307 0Rh 5dyz 0.008301 -0.020743 0.002175 -0.008941 0.003606 -0.006358 0Rh 5dx2y2 -0.006751 -0.004984 0.018270 0.041887 -0.032051 -0.010250 0Rh 5dxy 0.028353 -0.006865 -0.008943 0.026410 -0.008607 0.004183 0Rh 1f0 0.002247 0.001452 0.002228 -0.003875 0.000599 -0.000176 0Rh 1f+1 0.001955 -0.001645 -0.001617 0.003124 -0.000539 -0.001474 0Rh 1f-1 0.007034 0.001997 -0.000455 0.001044 0.000009 -0.000448 0Rh 1f+2 -0.002667 0.001144 -0.002953 0.005606 -0.000460 0.001067 0Rh 1f-2 0.003664 -0.003691 -0.000870 0.001952 -0.000196 0.000822 0Rh 1f+3 -0.000402 0.000354 -0.003364 0.006295 -0.000844 -0.001285 0Rh 1f-3 0.002119 0.002267 -0.001610 0.003088 -0.000599 0.000289 1Rh 1s 0.000069 -0.000015 -0.050801 0.011879 0.031237 0.012882 1Rh 2s 0.000286 -0.000053 -0.291022 0.068320 0.179281 0.074091 1Rh 3s 0.000612 -0.000126 -0.497490 0.116472 0.306103 0.126320 1Rh 4s -0.000593 0.000059 0.853329 -0.201747 -0.526491 -0.218278 1Rh 5s -0.000723 0.000501 -0.418376 0.108918 0.263924 0.112883 1Rh 6s 0.001166 -0.001200 0.155442 -0.066502 -0.121085 -0.052644 1Rh 7s -0.006252 0.006861 0.216400 -0.065585 -0.010514 0.001404 1Rh 8s -0.008124 -0.002964 -0.071910 -0.189131 -0.027072 0.003229 1Rh 1pz 0.000482 -0.000031 -0.000519 -0.000318 -0.000408 0.000987 1Rh 1px 0.000045 0.000009 0.001564 0.000800 0.001146 0.000281 1Rh 1py 0.000603 -0.000054 0.000173 -0.000015 0.000169 -0.000391 1Rh 2pz -0.002323 0.000144 0.002411 0.001465 0.001909 -0.004549 1Rh 2px -0.000220 -0.000044 -0.007265 -0.003674 -0.005351 -0.001291 1Rh 2py -0.002908 0.000246 -0.000801 0.000084 -0.000785 0.001800 1Rh 3pz 0.013528 -0.000684 -0.011845 -0.006973 -0.009656 0.020730 1Rh 3px 0.001339 0.000249 0.035807 0.017203 0.026860 0.005668 1Rh 3py 0.017009 -0.001167 0.003930 -0.000758 0.003852 -0.008176 1Rh 4pz -0.033872 0.001439 0.025701 0.015023 0.021348 -0.035196 1Rh 4px -0.003530 -0.000629 -0.078233 -0.036379 -0.058834 -0.008380 1Rh 4py -0.042729 0.002399 -0.008718 0.002451 -0.008037 0.013783 1Rh 5pz 0.041955 -0.002081 -0.036092 -0.026747 -0.027965 0.022707 1Rh 5px 0.004940 0.000963 0.110261 0.066846 0.075790 0.001406 1Rh 5py 0.052791 -0.002547 0.012926 -0.002263 0.008951 -0.008526 1Rh 6pz 0.032934 0.007011 0.144934 0.326346 0.155103 -0.404093 1Rh 6px -0.009880 0.000116 -0.360017 -0.940736 -0.422652 -0.120578 1Rh 6py 0.060703 -0.016977 -0.018071 -0.088405 -0.048379 0.149656 1Rh 1dz2 0.001360 -0.002811 0.000432 0.000835 0.000100 0.000154 1Rh 1dxz -0.002963 -0.000031 0.000483 0.001050 0.000145 -0.000293 1Rh 1dyz 0.000288 -0.007905 0.000361 0.000407 0.000072 -0.000141 1Rh 1dx2y2 0.000560 -0.001253 -0.000765 -0.001723 -0.000173 -0.000145 1Rh 1dxy -0.004009 -0.003007 -0.001026 -0.001137 -0.000234 0.000076 1Rh 2dz2 -0.003725 0.007918 -0.001462 -0.002829 -0.000156 -0.000559 1Rh 2dxz 0.008193 0.000095 -0.001639 -0.003563 -0.000249 0.000965 1Rh 2dyz -0.000743 0.022268 -0.001205 -0.001368 -0.000198 0.000475 1Rh 2dx2y2 -0.001556 0.003535 0.002584 0.005831 0.000226 0.000559 1Rh 2dxy 0.011089 0.008471 0.003438 0.003821 0.000649 -0.000237 1Rh 3dz2 0.005630 -0.012951 0.002997 0.005884 -0.000718 0.001397 1Rh 3dxz -0.012819 -0.000214 0.003358 0.007420 -0.000871 -0.001894 1Rh 3dyz 0.000863 -0.036482 0.002422 0.002794 0.000141 -0.000991 1Rh 3dx2y2 0.002479 -0.005821 -0.005254 -0.012094 0.001607 -0.001563 1Rh 3dxy -0.017368 -0.013878 -0.006957 -0.007813 -0.000528 0.000402 1Rh 4dz2 -0.005695 0.015512 -0.004116 -0.010194 0.006037 -0.003802 1Rh 4dxz 0.015275 0.000756 -0.004260 -0.012708 0.007897 0.003381 1Rh 4dyz 0.000499 0.044782 -0.003725 -0.004721 0.001001 0.001917 1Rh 4dx2y2 -0.003203 0.007363 0.006668 0.020644 -0.012390 0.004709 1Rh 4dxy 0.020752 0.016964 0.011052 0.013266 -0.002797 -0.000514 1Rh 5dz2 0.003071 -0.004810 -0.006818 0.021958 -0.015919 0.010860 1Rh 5dxz -0.021513 -0.003324 -0.012391 0.025850 -0.020520 -0.014822 1Rh 5dyz -0.008195 -0.021091 0.002259 0.008853 -0.003634 -0.006634 1Rh 5dx2y2 0.005999 -0.004746 0.018472 -0.041836 0.032029 -0.010971 1Rh 5dxy -0.028564 -0.007224 -0.008946 -0.026480 0.008682 0.004098 1Rh 1f0 0.002253 -0.001439 -0.002214 -0.003879 0.000606 0.000178 1Rh 1f+1 0.001946 0.001659 0.001617 0.003130 -0.000531 0.001467 1Rh 1f-1 0.007040 -0.001966 0.000462 0.001049 0.000005 0.000437 1Rh 1f+2 -0.002671 -0.001153 0.002939 0.005595 -0.000467 -0.001095 1Rh 1f-2 0.003650 0.003705 0.000855 0.001939 -0.000205 -0.000828 1Rh 1f+3 -0.000400 -0.000349 0.003358 0.006308 -0.000842 0.001268 1Rh 1f-3 0.002126 -0.002269 0.001622 0.003106 -0.000603 -0.000285 2C 1s -0.038903 0.035949 -0.000593 -0.000294 0.000671 0.001302 2C 2s 0.049422 -0.046212 0.000973 0.000594 -0.001314 -0.002555 2C 3s -0.114378 0.118923 0.038566 -0.006671 0.009002 0.005566 2C 4s 0.941391 -0.849725 -0.239681 0.026160 -0.040202 0.025938 2C 5s -0.776720 0.382309 0.443526 -0.013425 0.163815 -0.079683 2C 1pz 0.006753 -0.002086 0.001965 0.000105 -0.000707 0.001384 2C 1px 0.006395 -0.004651 0.000821 -0.002043 0.000441 0.002056 2C 1py 0.004334 -0.001257 0.000838 -0.000472 -0.000222 0.001307 2C 2pz 0.506118 -0.440995 -0.114144 0.008288 -0.008897 0.022853 2C 2px 0.035755 -0.033566 -0.033669 -0.006699 0.020097 0.004778 2C 2py 0.342468 -0.297512 -0.073389 -0.000170 0.003026 0.018146 2C 3pz -0.178856 0.085904 0.091042 0.010658 -0.004279 -0.042848 2C 3px -0.095338 0.059590 0.031567 -0.011670 0.073833 0.043788 2C 3py -0.127687 0.057036 0.060207 0.000614 0.024543 -0.004052 2C 1dz2 0.000536 -0.002575 -0.003072 0.000721 0.001483 0.002159 2C 1dxz -0.000703 -0.000519 -0.001734 -0.001563 -0.001405 -0.001324 2C 1dyz 0.007155 -0.007710 -0.004765 0.000387 -0.000561 0.000732 2C 1dx2y2 0.003068 -0.001315 0.001769 0.000214 -0.001652 -0.001548 2C 1dxy 0.004039 -0.003681 -0.000876 -0.000957 -0.001207 0.000327 2C 2dz2 0.074221 -0.065286 -0.026367 0.004162 -0.012724 -0.001422 2C 2dxz 0.085087 -0.070495 -0.003752 -0.001476 0.019248 0.022008 2C 2dyz 0.056508 -0.056603 -0.042168 -0.000328 -0.003158 0.003464 2C 2dx2y2 -0.084697 0.071251 0.006403 -0.003848 0.003114 -0.007630 2C 2dxy -0.001578 -0.000015 -0.007439 -0.001025 0.013119 0.006065 2C 1f0 -0.011245 0.007315 -0.002554 0.001756 0.001069 0.001582 2C 1f+1 -0.020078 0.012856 -0.002817 -0.001261 -0.001769 0.000038 2C 1f-1 -0.055357 0.039485 -0.006951 0.001398 -0.000112 0.000693 2C 1f+2 0.030809 -0.020946 0.005413 -0.001193 0.000516 -0.000816 2C 1f-2 -0.012959 0.008451 -0.002729 -0.001500 -0.002679 -0.001077 2C 1f+3 -0.012297 0.009312 0.000406 -0.001314 -0.000648 0.000047 2C 1f-3 -0.012487 0.008143 -0.001654 0.000019 -0.000008 0.000773 3C 1s 0.010223 -0.036577 -0.000771 0.000110 0.000751 0.001295 3C 2s -0.012835 0.047063 0.001321 -0.000226 -0.001482 -0.002542 3C 3s 0.030579 -0.118169 0.036735 0.002608 0.008777 0.004773 3C 4s -0.292269 0.834145 -0.231237 -0.008279 -0.029752 0.032273 3C 5s 0.185397 -0.374459 0.428952 -0.009689 0.104432 -0.067816 3C 1pz -0.000284 -0.001187 0.000542 0.000739 -0.000323 0.000058 3C 1px -0.001752 0.003434 0.000969 -0.001594 0.000685 0.001708 3C 1py 0.002663 -0.003124 -0.002149 -0.000600 -0.000180 -0.002015 3C 2pz -0.103856 0.285323 -0.059252 0.001897 -0.004268 0.017935 3C 2px -0.049853 0.129135 -0.044317 -0.011108 0.020211 0.025903 3C 2py 0.166134 -0.417660 0.116219 0.000409 0.005540 -0.020660 3C 3pz -0.020755 -0.024160 0.051624 -0.001792 -0.017359 -0.035504 3C 3px 0.026882 -0.055635 0.032501 -0.010158 0.073359 0.061417 3C 3py -0.081054 0.096963 -0.094611 -0.000239 0.004541 0.034178 3C 1dz2 0.004407 -0.003410 0.000495 0.000671 0.000336 0.000165 3C 1dxz 0.000932 0.000574 -0.001965 -0.000890 0.000648 0.000195 3C 1dyz 0.001829 -0.007257 0.003960 -0.000546 -0.000572 -0.002213 3C 1dx2y2 0.000060 -0.000614 0.003464 -0.000726 -0.001645 -0.002573 3C 1dxy 0.000323 -0.003516 0.002573 0.001409 0.002261 0.001876 3C 2dz2 -0.009647 0.002811 0.009997 0.000101 -0.004668 -0.003615 3C 2dxz -0.026600 0.058394 -0.010131 0.001788 0.008417 0.015439 3C 2dyz 0.013873 -0.030756 0.038497 0.001342 0.011792 0.007641 3C 2dx2y2 0.031233 -0.092070 0.019952 -0.002948 0.010508 -0.000874 3C 2dxy 0.023051 -0.060645 0.019826 0.003661 -0.019306 -0.025680 3C 1f0 -0.011150 0.023016 0.002774 0.000232 0.000395 0.000444 3C 1f+1 0.001373 -0.002763 -0.000840 -0.000254 -0.000118 0.000115 3C 1f-1 -0.003476 0.008413 0.000292 -0.000814 -0.000936 -0.000914 3C 1f+2 -0.011078 0.022493 0.005639 -0.001432 -0.000678 -0.001512 3C 1f-2 -0.010836 0.021388 0.005247 0.001415 0.002018 0.000807 3C 1f+3 0.011161 -0.023682 -0.004805 -0.001543 -0.001713 -0.000113 3C 1f-3 -0.007407 0.015809 0.002468 -0.001691 -0.001661 -0.003119 4C 1s 0.943740 -0.707896 -0.002768 0.000387 -0.000012 0.003910 4C 2s -1.263181 0.949412 0.005715 -0.000776 0.000060 -0.008309 4C 3s 1.274152 -1.001131 -0.063058 0.013065 0.001879 0.005050 4C 4s 0.028458 0.155730 0.187997 -0.062913 -0.009563 0.054671 4C 5s 1.010750 -0.986061 -0.218261 0.021404 -0.062482 0.024834 4C 1pz 0.002020 -0.002936 0.006679 0.003491 -0.005678 -0.006847 4C 1px -0.001722 0.000563 -0.000072 -0.008141 0.018451 0.020479 4C 1py 0.004850 -0.003335 0.003482 -0.001443 0.003631 0.003625 4C 2pz 1.108461 -0.848973 -0.110251 -0.022612 -0.224616 -0.070917 4C 2px 0.202319 -0.145705 -0.036757 0.042948 0.664108 0.420590 4C 2py 0.728386 -0.560006 -0.076868 0.004610 0.114097 0.115348 4C 3pz -0.275439 -0.148778 0.233961 0.002867 0.114291 -0.030190 4C 3px -0.056485 -0.032034 0.021188 0.078824 -0.197862 -0.138573 4C 3py -0.165701 -0.103314 0.150782 0.037299 -0.001248 -0.071019 4C 1dz2 -0.029627 0.020245 -0.002699 -0.002160 -0.018874 -0.014260 4C 1dxz -0.099860 0.070198 -0.003200 0.003971 0.032866 0.019183 4C 1dyz 0.081585 -0.058694 -0.005377 -0.001180 -0.001192 0.001024 4C 1dx2y2 0.167431 -0.117773 0.002723 -0.000884 0.001796 0.006464 4C 1dxy 0.097325 -0.069149 -0.000715 0.002396 0.024467 0.023486 4C 2dz2 -0.333164 0.274052 0.045151 0.017451 -0.137867 -0.111049 4C 2dxz -0.360031 0.297586 0.015667 -0.022589 0.242725 0.131374 4C 2dyz -0.233395 0.196673 0.075554 0.000640 -0.006057 -0.014478 4C 2dx2y2 0.496898 -0.404369 -0.017101 -0.005309 0.013874 0.047054 4C 2dxy 0.120828 -0.093303 0.013367 -0.023993 0.181411 0.113694 4C 1f0 -0.060841 0.044184 -0.003017 -0.001027 0.000046 -0.001819 4C 1f+1 -0.140297 0.101948 -0.007787 0.002672 0.005334 0.001342 4C 1f-1 0.005452 -0.009087 -0.007472 0.001656 -0.015159 -0.008506 4C 1f+2 0.106295 -0.076457 0.007968 0.001151 -0.020946 -0.011001 4C 1f-2 0.003843 -0.004306 -0.004180 0.000476 0.022573 0.015588 4C 1f+3 0.017427 -0.014212 -0.000811 0.002812 -0.018513 -0.010167 4C 1f-3 -0.123670 0.090609 -0.005069 0.003945 -0.024488 -0.017915 5C 1s -0.310212 0.696498 -0.002484 -0.000429 0.000584 0.004159 5C 2s 0.415224 -0.934124 0.005128 0.000881 -0.001275 -0.008889 5C 3s -0.414889 0.986450 -0.065730 -0.009160 -0.001930 0.003378 5C 4s -0.031787 -0.161314 0.210627 0.036743 0.030704 0.078034 5C 5s -0.313533 0.978530 -0.190126 -0.017534 -0.056683 0.030505 5C 1pz 0.004310 0.003598 0.003229 0.002121 -0.006028 -0.009618 5C 1px 0.000490 0.002165 0.003051 -0.008483 0.018539 0.030017 5C 1py 0.004556 -0.002448 -0.005964 -0.001252 0.002868 0.005765 5C 2pz -0.237728 0.492240 -0.063222 -0.006282 -0.209573 -0.150693 5C 2px -0.146742 0.299815 -0.033643 0.035092 0.665000 0.621188 5C 2py 0.346439 -0.824002 0.107222 0.002123 0.117831 0.039579 5C 3pz 0.094699 0.092375 0.140828 -0.026475 0.077567 0.027156 5C 3px 0.032814 0.056711 0.091861 0.057265 -0.196445 -0.206500 5C 3py -0.025828 -0.158354 -0.238276 0.035175 -0.053500 0.019383 5C 1dz2 0.038689 -0.082838 -0.000652 -0.001445 -0.012605 -0.015944 5C 1dxz 0.031555 -0.067063 -0.002235 0.001476 0.016016 0.012441 5C 1dyz 0.039074 -0.082159 0.004201 0.000945 0.014117 0.011335 5C 1dx2y2 -0.043995 0.090845 0.004920 0.002204 0.020018 0.025355 5C 1dxy -0.004684 0.009955 0.003283 -0.003200 -0.031941 -0.034169 5C 2dz2 0.057587 -0.136914 -0.019968 0.007813 -0.087497 -0.096544 5C 2dxz 0.117770 -0.287656 0.018274 -0.018155 0.120518 0.093666 5C 2dyz -0.031448 0.084615 -0.066131 -0.014119 0.107379 0.105440 5C 2dx2y2 -0.191176 0.444894 -0.033762 -0.014298 0.145993 0.171196 5C 2dxy -0.091274 0.227239 -0.043387 0.030120 -0.233870 -0.194561 5C 1f0 0.023770 -0.054459 0.001754 -0.002564 0.019050 0.014817 5C 1f+1 0.034142 -0.071252 -0.004377 0.001930 -0.020454 -0.020741 5C 1f-1 -0.002156 0.003168 0.001277 -0.000223 0.012276 0.011941 5C 1f+2 0.000523 -0.005879 0.005935 0.002650 -0.004070 -0.003486 5C 1f-2 -0.029631 0.062590 0.007803 0.003273 -0.031378 -0.028435 5C 1f+3 0.033798 -0.071251 -0.008283 0.001861 -0.011279 -0.009995 5C 1f-3 -0.042502 0.093120 0.008605 0.002659 0.008014 0.011020 6C 1s 0.299001 0.697223 -0.002485 0.000455 -0.000617 0.004192 6C 2s -0.400215 -0.935095 0.005128 -0.000934 0.001347 -0.008960 6C 3s 0.399835 0.987428 -0.065571 0.008766 0.001819 0.003216 6C 4s 0.030648 -0.161302 0.209659 -0.033877 -0.030959 0.079839 6C 5s 0.301940 0.978882 -0.189883 0.018314 0.057782 0.028910 6C 1pz 0.004376 -0.003554 -0.003221 0.002144 -0.005980 0.009665 6C 1px 0.000508 -0.002185 -0.002996 -0.008548 0.018411 -0.030144 6C 1py 0.004519 0.002447 0.005964 -0.001261 0.002831 -0.005768 6C 2pz -0.229887 -0.492819 0.063460 -0.006499 -0.208863 0.151499 6C 2px -0.141687 -0.300099 0.032697 0.034240 0.662807 -0.624213 6C 2py 0.333379 0.824988 -0.107406 0.002667 0.117010 -0.039537 6C 3pz 0.092375 -0.091851 -0.139338 -0.028282 0.077092 -0.028287 6C 3px 0.031639 -0.056705 -0.092074 0.057317 -0.195718 0.208932 6C 3py -0.022816 0.157706 0.236314 0.037693 -0.052894 -0.019064 6C 1dz2 -0.037251 -0.082886 -0.000661 0.001401 0.012604 -0.016065 6C 1dxz -0.030433 -0.067192 -0.002224 -0.001509 -0.015926 0.012465 6C 1dyz -0.037650 -0.082226 0.004200 -0.000948 -0.014025 0.011387 6C 1dx2y2 0.042406 0.090962 0.004953 -0.002140 -0.019972 0.025492 6C 1dxy 0.004471 0.009887 0.003255 0.003159 0.031801 -0.034346 6C 2dz2 -0.055390 -0.136907 -0.019928 -0.008293 0.087271 -0.097126 6C 2dxz -0.113541 -0.288259 0.018461 0.018081 -0.119825 0.093938 6C 2dyz 0.030166 0.084630 -0.065922 0.014044 -0.107052 0.105828 6C 2dx2y2 0.184464 0.445262 -0.033858 0.015026 -0.145582 0.172159 6C 2dxy 0.088001 0.227574 -0.043615 -0.030277 0.233008 -0.195482 6C 1f0 0.022899 0.054464 -0.001791 -0.002535 0.018998 -0.014898 6C 1f+1 0.032977 0.071357 0.004377 0.002009 -0.020366 0.020841 6C 1f-1 -0.002078 -0.003153 -0.001283 -0.000254 0.012244 -0.012016 6C 1f+2 0.000497 0.005930 -0.005913 0.002636 -0.004091 0.003511 6C 1f-2 -0.028575 -0.062696 -0.007757 0.003255 -0.031258 0.028549 6C 1f+3 0.032558 0.071286 0.008271 0.001941 -0.011234 0.010069 6C 1f-3 -0.040918 -0.093205 -0.008575 0.002550 0.007996 -0.011114 7C 1s -0.949233 -0.711807 -0.002743 -0.000399 -0.000028 0.003860 7C 2s 1.270533 0.954655 0.005662 0.000801 0.000024 -0.008201 7C 3s -1.281033 -1.006370 -0.062636 -0.012871 -0.001791 0.005016 7C 4s -0.031641 0.155122 0.186230 0.061391 0.008157 0.053869 7C 5s -1.012877 -0.989691 -0.218575 -0.023025 0.063291 0.024593 7C 1pz 0.002081 0.002992 -0.006670 0.003503 -0.005642 0.006850 7C 1px -0.001691 -0.000550 0.000073 -0.008249 0.018352 -0.020454 7C 1py 0.004707 0.003214 -0.003545 -0.001466 0.003611 -0.003595 7C 2pz 1.114019 0.852567 0.109841 -0.021809 -0.223301 0.072108 7C 2px 0.201434 0.145051 0.037811 0.043205 0.662597 -0.422402 7C 2py 0.736030 0.565620 0.077732 0.005147 0.113981 -0.115385 7C 3pz -0.276899 0.148413 -0.233489 0.004118 0.114692 0.027904 7C 3px -0.056761 0.031490 -0.020092 0.079607 -0.197699 0.139048 7C 3py -0.167760 0.102702 -0.151080 0.038424 -0.000679 0.069771 7C 1dz2 0.030340 0.020780 -0.002683 0.002151 0.018788 -0.014269 7C 1dxz 0.100660 0.070745 -0.003248 -0.003950 -0.032694 0.019286 7C 1dyz -0.082417 -0.059279 -0.005377 0.001158 0.001178 0.000971 7C 1dx2y2 -0.168236 -0.118268 0.002719 0.000851 -0.001809 0.006342 7C 1dxy -0.097810 -0.069460 -0.000745 -0.002366 -0.024482 0.023553 7C 2dz2 0.334352 0.274675 0.045157 -0.017265 0.137373 -0.110959 7C 2dxz 0.361994 0.298830 0.015379 0.023059 -0.241627 0.132176 7C 2dyz 0.235450 0.198281 0.075687 -0.000469 0.006380 -0.014571 7C 2dx2y2 -0.501103 -0.407526 -0.017457 0.004894 -0.013906 0.046608 7C 2dxy -0.121381 -0.093706 0.013002 0.023822 -0.181648 0.114356 7C 1f0 -0.061518 -0.044680 0.002961 -0.001025 0.000124 0.001768 7C 1f+1 -0.141035 -0.102453 0.007695 0.002592 0.005181 -0.001320 7C 1f-1 0.005464 0.009111 0.007425 0.001681 -0.015159 0.008585 7C 1f+2 0.106736 0.076696 -0.007999 0.001175 -0.020893 0.011115 7C 1f-2 0.003463 0.004049 0.004197 0.000452 0.022590 -0.015693 7C 1f+3 0.017809 0.014473 0.000784 0.002809 -0.018391 0.010169 7C 1f-3 -0.124663 -0.091266 0.005004 0.003899 -0.024414 0.017913 8C 1s -0.009770 -0.036571 -0.000770 -0.000105 -0.000774 0.001316 8C 2s 0.012261 0.047054 0.001319 0.000215 0.001527 -0.002585 8C 3s -0.029314 -0.118265 0.036675 -0.002535 -0.008986 0.005013 8C 4s 0.281460 0.835065 -0.230926 0.008200 0.030207 0.031668 8C 5s -0.176994 -0.375195 0.426250 0.012575 -0.105580 -0.065886 8C 1pz -0.000275 0.001175 -0.000556 0.000745 -0.000316 -0.000056 8C 1px -0.001720 -0.003517 -0.000973 -0.001599 0.000694 -0.001752 8C 1py 0.002559 0.003088 0.002150 -0.000592 -0.000196 0.002033 8C 2pz -0.099849 -0.285375 0.059366 0.001820 -0.004129 -0.018140 8C 2px -0.047669 -0.128361 0.044432 -0.011167 0.020049 -0.025540 8C 2py 0.160420 0.418627 -0.116077 0.000356 0.005399 0.020702 8C 3pz -0.021199 0.024290 -0.051421 -0.002053 -0.017292 0.035807 8C 3px 0.026011 0.056614 -0.032236 -0.010480 0.073004 -0.062078 8C 3py -0.078436 -0.096815 0.094046 0.000259 0.004531 -0.034070 8C 1dz2 -0.004352 -0.003430 0.000486 -0.000665 -0.000350 0.000193 8C 1dxz -0.000887 0.000576 -0.001968 0.000886 -0.000642 0.000194 8C 1dyz -0.001733 -0.007257 0.003953 0.000545 0.000573 -0.002212 8C 1dx2y2 -0.000087 -0.000606 0.003465 0.000722 0.001655 -0.002597 8C 1dxy -0.000290 -0.003542 0.002572 -0.001410 -0.002226 0.001861 8C 2dz2 0.009651 0.003024 0.009996 -0.000123 0.004632 -0.003598 8C 2dxz 0.025875 0.058763 -0.010109 -0.001741 -0.008464 0.015678 8C 2dyz -0.013448 -0.030722 0.038432 -0.001262 -0.011834 0.007911 8C 2dx2y2 -0.029865 -0.091979 0.020010 0.002977 -0.010406 -0.000880 8C 2dxy -0.022309 -0.060921 0.019807 -0.003655 0.019279 -0.025829 8C 1f0 -0.010781 -0.023065 -0.002767 0.000209 0.000388 -0.000445 8C 1f+1 0.001355 0.002848 0.000818 -0.000257 -0.000110 -0.000118 8C 1f-1 -0.003327 -0.008384 -0.000291 -0.000818 -0.000928 0.000916 8C 1f+2 -0.010686 -0.022541 -0.005615 -0.001443 -0.000648 0.001493 8C 1f-2 -0.010417 -0.021301 -0.005254 0.001408 0.002022 -0.000835 8C 1f+3 0.010749 0.023740 0.004790 -0.001543 -0.001700 0.000110 8C 1f-3 -0.007141 -0.015824 -0.002467 -0.001688 -0.001648 0.003097 9C 1s 0.038910 0.035967 -0.000585 0.000304 -0.000696 0.001291 9C 2s -0.049419 -0.046227 0.000959 -0.000615 0.001363 -0.002533 9C 3s 0.114659 0.119268 0.038561 0.006833 -0.009228 0.005531 9C 4s -0.946293 -0.853857 -0.239488 -0.027066 0.040581 0.025476 9C 5s 0.777996 0.383987 0.443061 0.013430 -0.166220 -0.076482 9C 1pz 0.006696 0.002037 -0.001951 0.000104 -0.000692 -0.001329 9C 1px 0.006466 0.004719 -0.000826 -0.002058 0.000448 -0.002008 9C 1py 0.004503 0.001379 -0.000880 -0.000489 -0.000212 -0.001314 9C 2pz 0.509440 0.443538 0.113696 0.008651 -0.008645 -0.022910 9C 2px 0.034587 0.032541 0.033660 -0.006586 0.019957 -0.004895 9C 2py 0.344461 0.298900 0.074082 0.000218 0.003070 -0.017870 9C 3pz -0.177896 -0.085688 -0.090624 0.010789 -0.004012 0.042231 9C 3px -0.096218 -0.060349 -0.031750 -0.011727 0.073644 -0.044009 9C 3py -0.130172 -0.058443 -0.060590 0.000717 0.024579 0.003851 9C 1dz2 -0.000508 -0.002571 -0.003057 -0.000732 -0.001470 0.002139 9C 1dxz 0.000701 -0.000536 -0.001728 0.001568 0.001356 -0.001309 9C 1dyz -0.007201 -0.007742 -0.004762 -0.000400 0.000527 0.000744 9C 1dx2y2 -0.003100 -0.001328 0.001783 -0.000211 0.001631 -0.001556 9C 1dxy -0.004080 -0.003721 -0.000876 0.000952 0.001270 0.000245 9C 2dz2 -0.073648 -0.064699 -0.026217 -0.004223 0.012623 -0.001542 9C 2dxz -0.085693 -0.070826 -0.003531 0.001303 -0.019267 0.022005 9C 2dyz -0.057375 -0.057318 -0.042319 0.000165 0.003268 0.003429 9C 2dx2y2 0.086045 0.072359 0.006495 0.003880 -0.002939 -0.007651 9C 2dxy 0.001565 -0.000069 -0.007403 0.001185 -0.013221 0.006274 9C 1f0 -0.011038 -0.007179 0.002505 0.001747 0.001055 -0.001553 9C 1f+1 -0.019937 -0.012741 0.002805 -0.001237 -0.001750 0.000007 9C 1f-1 -0.055739 -0.039746 0.006934 0.001413 -0.000124 -0.000699 9C 1f+2 0.031043 0.021076 -0.005476 -0.001210 0.000549 0.000801 9C 1f-2 -0.013001 -0.008472 0.002682 -0.001505 -0.002665 0.001077 9C 1f+3 -0.012252 -0.009284 -0.000402 -0.001307 -0.000643 -0.000049 9C 1f-3 -0.012956 -0.008491 0.001644 0.000008 0.000009 -0.000787 10H 1s 0.018660 -0.012650 0.003476 -0.002126 -0.000035 0.000696 10H 2s 0.078016 -0.066380 0.007560 0.008708 0.008796 0.020522 10H 3s 0.061652 -0.042620 -0.040937 0.001781 -0.049176 -0.020735 10H 1pz -0.010595 0.007247 0.003801 0.000587 0.002526 0.002950 10H 1px -0.034904 0.026665 -0.003466 0.000201 -0.003117 -0.003919 10H 1py -0.008091 0.005539 0.002109 0.000366 0.000801 0.002105 11H 1s -0.007832 0.006835 0.001027 0.000303 0.001211 -0.001637 11H 2s -0.058740 0.045734 -0.011743 -0.002947 -0.005826 -0.005581 11H 3s 0.010132 -0.008410 -0.022149 0.010139 -0.015162 0.003756 11H 1pz -0.018434 0.014941 0.002661 0.000072 -0.001263 -0.001839 11H 1px -0.007535 0.006253 -0.000406 -0.000984 0.000210 -0.001082 11H 1py -0.023528 0.017957 0.001988 0.000315 -0.000601 -0.000648 12H 1s 0.001290 0.000227 0.001984 0.000957 0.001861 0.000988 12H 2s -0.026676 0.018543 -0.008039 -0.008625 -0.006403 -0.005324 12H 3s 0.017497 -0.015614 -0.027311 0.013148 -0.007824 0.014966 12H 1pz -0.032468 0.024650 0.002342 0.000371 -0.001370 -0.001725 12H 1px -0.011675 0.009244 -0.000141 -0.000837 -0.000649 -0.002263 12H 1py -0.001879 0.002048 0.002462 -0.001335 -0.000855 -0.001490 13H 1s -0.005792 0.011445 0.002976 -0.001810 -0.000046 0.000848 13H 2s -0.020292 0.057718 0.001988 0.012345 0.009969 0.017178 13H 3s -0.018428 0.039163 -0.028171 -0.011005 -0.042750 -0.023302 13H 1pz -0.003324 0.008607 0.003341 0.001071 0.002654 0.003625 13H 1px 0.008983 -0.022053 -0.000992 -0.000738 -0.002294 -0.002451 13H 1py -0.006526 0.013943 -0.002557 -0.000818 -0.001802 -0.001925 14H 1s -0.001686 0.002249 0.002009 0.001404 0.001871 -0.000019 14H 2s 0.006965 -0.005503 -0.001387 -0.007519 -0.005697 0.001665 14H 3s -0.013974 0.022591 -0.030476 0.005443 0.000766 0.012437 14H 1pz -0.000313 0.001450 0.003094 -0.000444 -0.000267 0.000746 14H 1px 0.002156 -0.002782 0.002002 -0.000727 -0.001295 -0.001909 14H 1py -0.010829 0.025884 -0.001655 0.000108 0.001428 0.002057 15H 1s 0.002756 -0.008086 0.000614 0.000507 0.000487 -0.000963 15H 2s 0.012737 -0.047655 -0.010706 -0.002983 -0.006145 -0.008565 15H 3s 0.032308 0.005841 -0.021321 0.003924 -0.010814 0.008913 15H 1pz 0.008021 -0.013107 0.002192 0.000454 -0.000488 -0.000259 15H 1px 0.004190 -0.010680 0.000616 -0.000579 0.000171 -0.001118 15H 1py -0.004607 0.015293 -0.002633 0.000000 0.001362 0.002331 16H 1s 0.000464 -0.003191 -0.069582 0.069434 0.006726 -0.000578 16H 2s -0.016681 0.030849 -0.044736 0.027049 -0.016501 -0.012948 16H 3s 0.001864 0.005303 0.084291 -0.061491 0.005408 0.013501 16H 1pz -0.005371 0.007144 -0.070416 0.069143 0.002168 -0.004593 16H 1px 0.002882 -0.004713 -0.001269 0.001153 0.001016 -0.001853 16H 1py -0.001177 0.003012 -0.038475 0.038962 0.003348 -0.001392 17H 1s 0.000397 0.002453 -0.069531 0.069534 0.006852 -0.001303 17H 2s -0.011655 -0.025544 -0.049196 0.029702 -0.013640 0.009586 17H 3s 0.000060 -0.004878 0.081937 -0.058452 0.003453 -0.011831 17H 1pz 0.001080 0.001585 0.047392 -0.045958 -0.002142 -0.003001 17H 1px 0.002768 0.007067 0.042642 -0.041745 -0.001553 0.001400 17H 1py -0.001223 -0.003844 -0.050141 0.050205 0.004417 0.000703 18H 1s -0.000394 0.002333 -0.069459 -0.069645 -0.006827 -0.001058 18H 2s 0.011703 -0.024318 -0.049333 -0.030286 0.013178 0.006869 18H 3s -0.000362 -0.004739 0.081742 0.058416 -0.003490 -0.012279 18H 1pz 0.001131 -0.001548 -0.048630 -0.047335 -0.002210 0.002716 18H 1px 0.002738 -0.006826 -0.042819 -0.042133 -0.001705 -0.001996 18H 1py -0.001118 0.003641 0.048723 0.048997 0.004415 -0.000486 19H 1s -0.000427 -0.003255 -0.069499 -0.069530 -0.006682 -0.000383 19H 2s 0.016690 0.031582 -0.044443 -0.026836 0.016586 -0.015428 19H 3s -0.002122 0.005390 0.084436 0.061802 -0.005314 0.012872 19H 1pz -0.005334 -0.007234 0.069395 0.068324 0.002113 0.005134 19H 1px 0.002914 0.004797 0.000716 0.000625 0.001058 0.001552 19H 1py -0.001333 -0.003151 0.039946 0.040463 0.003275 0.001615 20H 1s -0.002619 -0.008029 0.000621 -0.000517 -0.000497 -0.000952 20H 2s -0.012064 -0.047522 -0.010559 0.002885 0.006275 -0.008897 20H 3s -0.031916 0.005838 -0.021205 -0.004229 0.010945 0.008964 20H 1pz 0.007811 0.013182 -0.002174 0.000448 -0.000490 0.000251 20H 1px 0.004054 0.010790 -0.000599 -0.000566 0.000131 0.001185 20H 1py -0.004406 -0.015277 0.002658 -0.000024 0.001378 -0.002390 21H 1s 0.001545 0.002078 0.001987 -0.001390 -0.001877 -0.000021 21H 2s -0.007241 -0.006479 -0.001533 0.007439 0.005700 0.001330 21H 3s 0.013640 0.022261 -0.030140 -0.005658 -0.000270 0.012194 21H 1pz -0.000252 -0.001391 -0.003081 -0.000451 -0.000257 -0.000728 21H 1px 0.002242 0.003066 -0.001952 -0.000715 -0.001283 0.001967 21H 1py -0.010389 -0.025873 0.001675 0.000092 0.001439 -0.002088 22H 1s 0.005624 0.011546 0.002970 0.001837 0.000015 0.000881 22H 2s 0.019833 0.058399 0.001993 -0.012368 -0.010153 0.017804 22H 3s 0.017726 0.039507 -0.027986 0.010824 0.043066 -0.024151 22H 1pz -0.003173 -0.008516 -0.003305 0.001059 0.002676 -0.003710 22H 1px 0.008742 0.022295 0.001013 -0.000743 -0.002335 0.002553 22H 1py -0.006195 -0.013713 0.002554 -0.000820 -0.001815 0.002020 23H 1s -0.000886 0.000532 0.001943 -0.000921 -0.001842 0.000965 23H 2s 0.028761 0.020444 -0.008286 0.008314 0.006448 -0.005619 23H 3s -0.016331 -0.015188 -0.027082 -0.013184 0.008628 0.014612 23H 1pz -0.032419 -0.024612 -0.002368 0.000395 -0.001383 0.001714 23H 1px -0.012012 -0.009519 0.000187 -0.000815 -0.000635 0.002238 23H 1py -0.002414 -0.002545 -0.002405 -0.001293 -0.000854 0.001534 24H 1s 0.007556 0.006636 0.001045 -0.000311 -0.001246 -0.001597 24H 2s 0.058488 0.045352 -0.011747 0.003055 0.006015 -0.005452 24H 3s -0.010118 -0.008329 -0.022067 -0.010376 0.015208 0.003613 24H 1pz -0.018382 -0.014879 -0.002670 0.000067 -0.001275 0.001792 24H 1px -0.007556 -0.006258 0.000433 -0.000990 0.000150 0.001126 24H 1py -0.024058 -0.018364 -0.001968 0.000318 -0.000637 0.000710 25H 1s -0.018937 -0.012833 0.003512 0.002154 -0.000004 0.000696 25H 2s -0.079334 -0.067443 0.007685 -0.008829 -0.008995 0.020673 25H 3s -0.062170 -0.042985 -0.041100 -0.001868 0.049616 -0.021180 25H 1pz -0.010132 -0.006882 -0.003836 0.000586 0.002556 -0.003009 25H 1px -0.035149 -0.026841 0.003490 0.000196 -0.003159 0.003950 25H 1py -0.008784 -0.006066 -0.002053 0.000376 0.000782 -0.002026 26O 1s -0.015433 0.010265 -0.038567 -0.037609 0.491042 0.466590 26O 2s -0.002274 0.001754 0.047290 0.046270 -0.607283 -0.577941 26O 3s 0.307361 -0.213421 -0.044198 -0.047315 0.653480 0.622972 26O 4s -0.940762 0.638948 0.057409 0.069966 -0.984951 -0.921053 26O 5s -0.361769 0.526494 -0.080437 -0.049093 0.204996 0.367116 26O 1pz -0.010462 0.007199 0.000879 0.000148 -0.001134 -0.000081 26O 1px -0.079971 0.059976 0.000826 0.001809 -0.028740 -0.024043 26O 1py -0.035983 0.026960 0.000504 0.000583 -0.011872 -0.008923 26O 2pz 0.091011 -0.070106 -0.002435 -0.002698 0.009195 0.003611 26O 2px 0.623911 -0.463349 0.008053 -0.026077 0.242007 0.189321 26O 2py 0.288940 -0.216542 0.002454 -0.009562 0.098401 0.072660 26O 3pz 0.108105 -0.041552 -0.040658 0.047557 -0.015367 0.035692 26O 3px 0.130291 -0.124997 -0.060406 0.144922 0.146514 0.059763 26O 3py 0.112659 -0.075539 -0.045876 0.073890 0.039801 0.093945 26O 1dz2 -0.013592 0.009799 0.000655 0.000220 -0.006346 -0.006106 26O 1dxz 0.009356 -0.007905 0.001207 -0.003462 0.000448 0.002573 26O 1dyz -0.003534 0.002203 0.000337 0.000233 -0.004332 -0.003765 26O 1dx2y2 0.008221 -0.005919 -0.000880 0.000637 0.004561 0.004670 26O 1dxy 0.013461 -0.010082 -0.000169 -0.001366 0.003078 0.003764 26O 2dz2 0.172245 -0.124961 0.000469 -0.001707 0.048936 0.039828 26O 2dxz -0.076843 0.061202 -0.001644 0.010235 -0.005461 -0.012004 26O 2dyz -0.011631 0.011183 -0.000607 0.000465 0.010784 0.009166 26O 2dx2y2 -0.178666 0.129430 -0.001345 0.000105 -0.051511 -0.042609 26O 2dxy -0.216018 0.159584 -0.001609 0.005817 -0.046038 -0.041343 26O 1f0 -0.019772 0.015213 0.000715 -0.000834 -0.002534 -0.001588 26O 1f+1 -0.070624 0.051573 -0.000206 0.000506 -0.009339 -0.008197 26O 1f-1 -0.034452 0.025819 0.000609 -0.000210 -0.003409 -0.003508 26O 1f+2 0.023097 -0.017548 -0.000967 0.000407 0.004584 0.002786 26O 1f-2 0.012407 -0.009644 -0.000227 0.001456 -0.000115 0.000179 26O 1f+3 -0.029131 0.021061 -0.000508 0.000556 -0.002413 -0.002254 26O 1f-3 -0.091580 0.067169 0.000211 -0.000803 -0.009899 -0.008959 27O 1s 0.005189 -0.010071 -0.005166 -0.049477 0.503768 0.649129 27O 2s 0.000754 -0.001742 0.006337 0.060842 -0.622990 -0.804001 27O 3s -0.103345 0.210414 -0.003908 -0.060034 0.670125 0.866933 27O 4s 0.318369 -0.631152 0.004891 0.084640 -1.006893 -1.285889 27O 5s 0.134710 -0.530709 -0.078918 -0.103335 0.189673 0.488022 27O 1pz 0.000256 0.002677 0.000716 -0.000354 0.002391 0.003837 27O 1px 0.028810 -0.063388 -0.001108 0.001898 -0.031861 -0.035052 27O 1py -0.005610 0.013878 -0.000287 -0.001071 0.004873 0.003885 27O 2pz 0.003660 -0.012500 -0.004177 0.003094 -0.021974 -0.029166 27O 2px -0.227540 0.495137 0.022088 -0.021022 0.266319 0.281901 27O 2py 0.053914 -0.123589 -0.001843 0.006552 -0.041398 -0.036341 27O 3pz -0.018900 0.009642 -0.010408 -0.003800 -0.034865 0.006115 27O 3px -0.064432 0.135671 -0.044038 0.150142 0.147934 0.124923 27O 3py 0.042811 -0.055370 0.040207 -0.059823 -0.005272 -0.097590 27O 1dz2 0.002503 -0.005727 -0.000115 0.000796 -0.002230 -0.003393 27O 1dxz 0.000061 0.002423 0.000266 -0.001301 -0.001377 -0.000383 27O 1dyz -0.002596 0.005690 -0.000195 -0.001196 0.004820 0.006777 27O 1dx2y2 -0.005616 0.011990 -0.000538 -0.000143 0.008124 0.011086 27O 1dxy 0.004329 -0.008950 -0.000649 0.002240 -0.000757 -0.002227 27O 2dz2 -0.053420 0.116094 0.003848 -0.002202 0.037838 0.042189 27O 2dxz -0.006598 0.004228 0.002092 0.003442 0.013067 0.010301 27O 2dyz 0.009405 -0.019198 0.000579 0.002852 -0.015207 -0.020144 27O 2dx2y2 0.087787 -0.188980 -0.005249 0.000132 -0.075541 -0.086913 27O 2dxy -0.048222 0.103868 0.001115 -0.006087 0.019980 0.026568 27O 1f0 -0.003940 0.006975 0.000419 -0.000553 -0.000054 0.001182 27O 1f+1 0.023816 -0.052402 -0.000247 -0.000797 -0.008278 -0.009793 27O 1f-1 -0.005051 0.011433 -0.000149 0.000520 0.001210 0.001477 27O 1f+2 0.002488 -0.003297 -0.000768 0.000204 -0.000600 -0.001012 27O 1f-2 -0.004866 0.009911 -0.000263 -0.000609 0.004129 0.004407 27O 1f+3 0.026938 -0.059898 -0.001008 0.000309 -0.010216 -0.012110 27O 1f-3 -0.020892 0.045019 -0.000793 0.001376 0.007534 0.008200 28O 1s -0.015249 0.010354 -0.001695 0.046404 -0.491724 -0.311338 28O 2s -0.002348 0.001793 0.002087 -0.057049 0.608118 0.385621 28O 3s 0.308536 -0.217260 -0.000215 0.055577 -0.655497 -0.417407 28O 4s -0.958284 0.661264 0.001377 -0.078983 0.991088 0.635603 28O 5s -0.382040 0.556505 -0.057596 0.127609 -0.178764 -0.264312 28O 1pz -0.056336 0.041394 0.000275 -0.001302 0.018736 0.007683 28O 1px 0.068655 -0.052168 0.001572 0.001121 -0.025785 -0.012710 28O 1py -0.007840 0.005456 0.000235 -0.000879 0.001583 -0.000349 28O 2pz 0.455928 -0.342317 0.007984 0.011328 -0.159198 -0.072007 28O 2px -0.534247 0.400842 -0.018761 -0.013217 0.217439 0.114619 28O 2py 0.073625 -0.055930 -0.000545 0.004230 -0.013970 0.000468 28O 3pz 0.212224 -0.138908 -0.041331 -0.120214 -0.071270 -0.044795 28O 3px -0.078130 0.103584 0.033073 0.120123 0.130098 0.062255 28O 3py 0.094319 -0.041798 -0.021952 -0.041319 0.002998 -0.053328 28O 1dz2 0.003290 -0.003612 0.000633 0.001122 0.001403 0.000894 28O 1dxz -0.020472 0.015501 0.000032 -0.001210 0.007161 0.004688 28O 1dyz -0.003600 0.001706 0.000443 0.000339 0.004249 0.004460 28O 1dx2y2 0.006753 -0.004431 -0.000622 -0.001322 -0.003884 -0.002077 28O 1dxy -0.009486 0.007307 -0.000396 -0.001735 0.002760 0.002082 28O 2dz2 -0.041247 0.036076 -0.000014 -0.002927 -0.001707 -0.002784 28O 2dxz 0.294880 -0.218724 0.004602 0.001450 -0.073636 -0.039028 28O 2dyz -0.019664 0.019067 -0.000322 -0.000942 -0.008118 -0.012070 28O 2dx2y2 -0.156514 0.112478 -0.003372 0.004569 0.046497 0.026222 28O 2dxy 0.065270 -0.049586 -0.000367 0.004120 -0.013133 -0.008519 28O 1f0 -0.041775 0.030322 -0.000443 -0.000052 0.005490 0.003390 28O 1f+1 -0.061192 0.045847 0.000532 0.001384 0.007771 0.003187 28O 1f-1 -0.001248 0.001395 -0.000016 -0.001129 0.001292 0.001655 28O 1f+2 0.091599 -0.067359 0.000507 -0.000519 -0.010541 -0.005334 28O 1f-2 -0.021220 0.016074 0.000767 0.001046 0.001136 0.000512 28O 1f+3 0.039993 -0.028891 0.000955 -0.000032 -0.003936 -0.001446 28O 1f-3 -0.021735 0.016135 0.000686 0.000390 0.004666 0.003039 29O 1s -0.000123 0.000116 -0.976936 0.980664 0.083701 -0.011258 29O 2s 0.000063 -0.000022 1.197871 -1.206807 -0.103557 0.013939 29O 3s -0.001255 -0.000801 -1.170083 1.214829 0.112530 -0.014685 29O 4s 0.003228 0.002577 1.405811 -1.534499 -0.190996 0.016439 29O 5s 0.019013 -0.007305 -0.847829 1.092871 0.293090 0.004452 29O 1pz 0.000743 0.000070 0.004127 -0.001554 -0.001342 0.001299 29O 1px -0.000348 0.000066 -0.005966 -0.000563 0.005033 0.001395 29O 1py 0.000764 0.000054 0.019348 -0.018221 0.000577 0.000206 29O 2pz -0.005680 0.009096 -0.028083 0.017463 0.001759 -0.006297 29O 2px 0.003026 0.002810 0.046054 -0.017895 -0.011143 -0.004511 29O 2py -0.006155 -0.000580 -0.119508 0.115349 0.001066 -0.002387 29O 3pz 0.002053 0.024035 -0.028071 0.064120 0.028012 -0.025796 29O 3px -0.001860 0.009961 0.116240 -0.216697 -0.083181 -0.011368 29O 3py -0.005935 -0.001637 0.085789 -0.101777 -0.022473 0.010966 29O 1dz2 -0.000507 -0.000394 -0.005610 0.005169 0.001567 0.000919 29O 1dxz -0.000198 -0.000096 -0.005713 0.005516 0.002776 -0.001560 29O 1dyz -0.000016 -0.000293 -0.001316 0.001302 0.000296 -0.000779 29O 1dx2y2 -0.000117 -0.000272 0.005759 -0.006002 -0.003889 -0.000742 29O 1dxy 0.000069 -0.000383 0.005614 -0.005223 -0.000878 0.000687 29O 2dz2 0.003126 -0.002067 0.046522 -0.044685 -0.006388 -0.000860 29O 2dxz 0.001713 0.002303 0.036857 -0.035611 -0.009428 0.003753 29O 2dyz 0.001034 -0.005100 0.007908 -0.007743 -0.000663 0.004292 29O 2dx2y2 -0.000339 0.001116 -0.018070 0.018181 0.011443 0.001924 29O 2dxy -0.000731 -0.001396 -0.042749 0.040701 0.004343 -0.001580 29O 1f0 -0.000387 0.000813 -0.020820 0.020916 0.000932 -0.000379 29O 1f+1 0.000032 0.000999 0.008741 -0.009037 -0.000578 0.000826 29O 1f-1 -0.000794 0.000680 -0.022011 0.021150 0.001108 -0.001012 29O 1f+2 0.000295 -0.000469 0.008618 -0.009237 0.000118 -0.000399 29O 1f-2 -0.000407 -0.001062 -0.014342 0.013512 0.000955 0.000604 29O 1f+3 0.000264 0.000567 0.005678 -0.006286 0.000625 0.000314 29O 1f-3 0.000194 0.000589 0.007211 -0.007470 -0.000319 -0.000587 30O 1s 0.004987 -0.010098 -0.030521 0.034865 -0.478571 -0.483534 30O 2s 0.000771 -0.001752 0.037415 -0.042890 0.591830 0.598883 30O 3s -0.100981 0.211434 -0.034122 0.043965 -0.637525 -0.647430 30O 4s 0.313630 -0.639383 0.045512 -0.066825 0.965463 0.981396 30O 5s 0.126041 -0.545226 -0.104682 0.042634 -0.194784 -0.420734 30O 1pz 0.015591 -0.031765 0.000641 -0.000927 0.014310 0.010458 30O 1px -0.020450 0.046900 0.000536 0.001335 -0.023138 -0.019291 30O 1py -0.014378 0.032995 -0.000735 0.001090 -0.014160 -0.009143 30O 2pz -0.117428 0.256295 0.005294 0.015113 -0.120709 -0.092818 30O 2px 0.158223 -0.353683 -0.013200 -0.020391 0.194900 0.167380 30O 2py 0.121865 -0.274122 -0.004730 -0.014661 0.120623 0.085356 30O 3pz -0.053274 0.096175 -0.043642 -0.100339 -0.065377 -0.042323 30O 3px 0.015613 -0.085518 0.023709 0.091595 0.120088 0.053924 30O 3py 0.065903 -0.115157 0.047379 0.100564 0.054729 0.099612 30O 1dz2 -0.000351 0.001822 0.000824 0.002122 -0.000471 -0.002086 30O 1dxz 0.003695 -0.009579 0.000163 -0.000269 0.005107 0.005486 30O 1dyz 0.001550 -0.004610 -0.000781 -0.001395 -0.001773 -0.002898 30O 1dx2y2 0.000151 -0.000823 -0.001368 -0.002087 -0.002863 -0.002857 30O 1dxy -0.006902 0.013995 0.000301 0.002097 -0.006919 -0.007950 30O 2dz2 -0.011517 0.020338 -0.000264 -0.005267 -0.008863 -0.002820 30O 2dxz -0.064564 0.145912 0.003306 0.002486 -0.051892 -0.045302 30O 2dyz -0.045084 0.104666 0.003993 0.005897 -0.018620 -0.009490 30O 2dx2y2 0.015154 -0.030517 0.000375 0.005512 0.025674 0.025308 30O 2dxy 0.078078 -0.166781 -0.004132 -0.007226 0.057338 0.053436 30O 1f0 0.016504 -0.035395 -0.000787 0.000472 0.004728 0.003177 30O 1f+1 0.003983 -0.011009 0.000460 0.000058 0.003470 0.002650 30O 1f-1 0.001463 -0.004204 0.000293 0.000823 -0.000169 -0.001139 30O 1f+2 -0.009684 0.022149 0.000375 0.001055 -0.003638 -0.004017 30O 1f-2 -0.028281 0.063305 -0.000390 -0.001134 -0.008685 -0.006540 30O 1f+3 0.009594 -0.020537 0.001034 0.000853 0.004439 0.003983 30O 1f-3 -0.022183 0.047733 0.000293 0.000471 -0.008870 -0.007916 31O 1s -0.004807 -0.010109 -0.030013 -0.035792 0.475475 -0.485743 31O 2s -0.000743 -0.001754 0.036793 0.044030 -0.588002 0.601619 31O 3s 0.097316 0.211677 -0.033568 -0.045071 0.633487 -0.650384 31O 4s -0.302186 -0.640285 0.044918 0.068371 -0.959689 0.985855 31O 5s -0.122098 -0.544979 -0.102042 -0.046272 0.192264 -0.423341 31O 1pz 0.015051 0.031813 -0.000630 -0.000947 0.014233 -0.010513 31O 1px -0.019733 -0.046963 -0.000550 0.001356 -0.023005 0.019392 31O 1py -0.013813 -0.033028 0.000737 0.001094 -0.014080 0.009165 31O 2pz -0.113214 -0.256640 -0.005226 0.015097 -0.120165 0.093219 31O 2px 0.152594 0.354130 0.013095 -0.020392 0.193950 -0.168121 31O 2py 0.117322 0.274346 0.004588 -0.014565 0.120017 -0.085601 31O 3pz -0.051480 -0.096613 0.044436 -0.101130 -0.065514 0.042346 31O 3px 0.014839 0.085437 -0.024665 0.092428 0.120124 -0.054177 31O 3py 0.063359 0.115512 -0.047996 0.100994 0.054418 -0.099398 31O 1dz2 0.000329 0.001819 0.000836 -0.002136 0.000464 -0.002084 31O 1dxz -0.003534 -0.009604 0.000192 0.000241 -0.005079 0.005485 31O 1dyz -0.001490 -0.004608 -0.000770 0.001361 0.001776 -0.002923 31O 1dx2y2 -0.000157 -0.000813 -0.001373 0.002087 0.002861 -0.002866 31O 1dxy 0.006670 0.014020 0.000279 -0.002079 0.006877 -0.007951 31O 2dz2 0.011142 0.020328 -0.000307 0.005308 0.008825 -0.002853 31O 2dxz 0.062143 0.146132 0.003170 -0.002361 0.051666 -0.045417 31O 2dyz 0.043445 0.104735 0.003915 -0.005750 0.018497 -0.009491 31O 2dx2y2 -0.014569 -0.030616 0.000399 -0.005500 -0.025604 0.025397 31O 2dxy -0.075289 -0.166941 -0.004006 0.007130 -0.057036 0.053528 31O 1f0 0.015915 0.035426 0.000784 0.000476 0.004693 -0.003178 31O 1f+1 0.003817 0.011049 -0.000464 0.000058 0.003463 -0.002669 31O 1f-1 0.001407 0.004228 -0.000299 0.000833 -0.000163 0.001140 31O 1f+2 -0.009316 -0.022186 -0.000380 0.001058 -0.003616 0.004034 31O 1f-2 -0.027246 -0.063365 0.000398 -0.001144 -0.008638 0.006571 31O 1f+3 0.009260 0.020535 -0.001039 0.000848 0.004418 -0.004009 31O 1f-3 -0.021390 -0.047776 -0.000292 0.000472 -0.008824 0.007953 32O 1s 0.000137 0.000132 -0.975673 -0.981987 -0.083289 -0.008569 32O 2s -0.000066 -0.000027 1.196321 1.208434 0.103049 0.010616 32O 3s 0.001150 -0.000813 -1.168551 -1.216470 -0.112026 -0.011527 32O 4s -0.002871 0.002653 1.403940 1.536551 0.190393 0.012424 32O 5s -0.019895 -0.008974 -0.846648 -1.093996 -0.292504 0.012361 32O 1pz 0.000758 -0.000064 -0.003654 -0.001137 -0.001323 -0.001301 32O 1px -0.000398 -0.000074 0.006137 -0.000404 0.005056 -0.001373 32O 1py 0.000785 -0.000044 -0.019370 -0.018302 0.000577 -0.000250 32O 2pz -0.005684 -0.009117 0.025045 0.014640 0.001581 0.006438 32O 2px 0.003189 -0.002562 -0.047102 -0.018994 -0.011290 0.003965 32O 2py -0.006270 0.000132 0.119639 0.115861 0.001084 0.003063 32O 3pz 0.002446 -0.023989 0.029121 0.065108 0.027981 0.025731 32O 3px -0.002293 -0.009731 -0.115535 -0.216526 -0.083069 0.011967 32O 3py -0.005867 0.000335 -0.085957 -0.102097 -0.022404 -0.009056 32O 1dz2 0.000521 -0.000478 -0.005608 -0.005177 -0.001565 0.000865 32O 1dxz 0.000206 -0.000110 -0.005752 -0.005573 -0.002778 -0.001595 32O 1dyz 0.000043 -0.000279 -0.001416 -0.001370 -0.000272 -0.000790 32O 1dx2y2 0.000089 -0.000340 0.005719 0.005986 0.003889 -0.000754 32O 1dxy -0.000073 -0.000406 0.005574 0.005208 0.000898 0.000714 32O 2dz2 -0.003133 -0.001719 0.046410 0.044680 0.006380 -0.000603 32O 2dxz -0.001706 0.002355 0.037279 0.036150 0.009486 0.003979 32O 2dyz -0.001180 -0.005182 0.009326 0.009054 0.000629 0.004404 32O 2dx2y2 0.000420 0.001429 -0.017760 -0.017948 -0.011428 0.001840 32O 2dxy 0.000727 -0.001168 -0.042206 -0.040330 -0.004387 -0.001877 32O 1f0 -0.000334 -0.000836 0.019438 0.019621 0.000827 0.000348 32O 1f+1 0.000059 -0.000970 -0.009705 -0.010010 -0.000658 -0.000811 32O 1f-1 -0.000805 -0.000728 0.022803 0.021988 0.001175 0.001119 32O 1f+2 0.000324 0.000490 -0.009715 -0.010320 0.000057 0.000365 32O 1f-2 -0.000416 0.001009 0.013890 0.013108 0.000913 -0.000554 32O 1f+3 0.000236 -0.000537 -0.005179 -0.005827 0.000645 -0.000397 32O 1f-3 0.000180 -0.000614 -0.006992 -0.007276 -0.000291 0.000580 33O 1s 0.015351 0.010420 -0.001087 -0.047606 0.489139 -0.313218 33O 2s 0.002363 0.001803 0.001342 0.058528 -0.604921 0.387949 33O 3s -0.310622 -0.218615 0.000505 -0.057080 0.652094 -0.419957 33O 4s 0.965187 0.665678 0.000507 0.081065 -0.986210 0.639437 33O 5s 0.383867 0.558617 -0.057429 -0.127834 0.177376 -0.265039 33O 1pz -0.056645 -0.041587 -0.000237 -0.001345 0.018632 -0.007772 33O 1px 0.069133 0.052511 -0.001607 0.001168 -0.025675 0.012842 33O 1py -0.007983 -0.005547 -0.000233 -0.000897 0.001601 0.000347 33O 2pz 0.458473 0.343927 -0.008164 0.011648 -0.158358 0.072639 33O 2px -0.538219 -0.403605 0.018965 -0.013593 0.216639 -0.115571 33O 2py 0.074848 0.056794 0.000525 0.004347 -0.014115 -0.000360 33O 3pz 0.214433 0.140367 0.041316 -0.119893 -0.070461 0.044892 33O 3px -0.079412 -0.104271 -0.033169 0.119681 0.129773 -0.062708 33O 3py 0.095809 0.042864 0.021890 -0.041415 0.003305 0.053603 33O 1dz2 -0.003285 -0.003596 0.000636 -0.001117 -0.001403 0.000881 33O 1dxz 0.020594 0.015587 0.000009 0.001224 -0.007098 0.004699 33O 1dyz 0.003601 0.001704 0.000445 -0.000337 -0.004241 0.004469 33O 1dx2y2 -0.006849 -0.004490 -0.000607 0.001312 0.003885 -0.002107 33O 1dxy 0.009587 0.007398 -0.000398 0.001731 -0.002755 0.002090 33O 2dz2 0.041018 0.035855 -0.000018 0.002908 0.001813 -0.002755 33O 2dxz -0.296650 -0.219912 0.004692 -0.001570 0.073199 -0.039274 33O 2dyz 0.020072 0.019379 -0.000340 0.000947 0.008074 -0.012035 33O 2dx2y2 0.157853 0.113377 -0.003436 -0.004478 -0.046390 0.026464 33O 2dxy -0.066192 -0.050305 -0.000347 -0.004127 0.013161 -0.008611 33O 1f0 -0.042115 -0.030559 0.000448 -0.000064 0.005470 -0.003419 33O 1f+1 -0.061311 -0.045916 -0.000527 0.001380 0.007709 -0.003215 33O 1f-1 -0.001232 -0.001375 0.000010 -0.001143 0.001288 -0.001646 33O 1f+2 0.092165 0.067747 -0.000516 -0.000495 -0.010486 0.005387 33O 1f-2 -0.021523 -0.016301 -0.000755 0.001042 0.001142 -0.000529 33O 1f+3 0.040312 0.029117 -0.000964 -0.000027 -0.003925 0.001477 33O 1f-3 -0.022058 -0.016375 -0.000681 0.000383 0.004668 -0.003067 34O 1s -0.005004 -0.010085 -0.005389 0.050873 -0.502176 0.652816 34O 2s -0.000726 -0.001743 0.006610 -0.062560 0.621022 -0.808568 34O 3s 0.099640 0.210682 -0.004153 0.061821 -0.668009 0.871857 34O 4s -0.306869 -0.631992 0.005160 -0.087115 1.003648 -1.293052 34O 5s -0.130503 -0.530420 -0.079366 0.102022 -0.188752 0.490206 34O 1pz 0.000275 -0.002678 -0.000712 -0.000351 0.002393 -0.003867 34O 1px 0.027783 0.063444 0.001111 0.002002 -0.031782 0.035276 34O 1py -0.005364 -0.013924 0.000290 -0.001094 0.004882 -0.003912 34O 2pz 0.003528 0.012584 0.004177 0.003102 -0.021962 0.029377 34O 2px -0.219415 -0.495600 -0.022124 -0.021923 0.265544 -0.283580 34O 2py 0.051918 0.123910 0.001818 0.006766 -0.041404 0.036631 34O 3pz -0.017966 -0.009655 0.010368 -0.003219 -0.034695 -0.005507 34O 3px -0.061748 -0.135644 0.043596 0.149591 0.147546 -0.125142 34O 3py 0.040953 0.055317 -0.039844 -0.060013 -0.004984 0.097275 34O 1dz2 -0.002398 -0.005742 -0.000120 -0.000806 0.002227 -0.003398 34O 1dxz -0.000083 0.002413 0.000262 0.001299 0.001380 -0.000386 34O 1dyz 0.002498 0.005689 -0.000201 0.001195 -0.004794 0.006785 34O 1dx2y2 0.005386 0.011982 -0.000514 0.000171 -0.008096 0.011117 34O 1dxy -0.004211 -0.008967 -0.000643 -0.002244 0.000756 -0.002240 34O 2dz2 0.051470 0.116238 0.003874 0.002339 -0.037742 0.042397 34O 2dxz 0.006495 0.004351 0.002111 -0.003396 -0.013064 0.010393 34O 2dyz -0.009051 -0.019221 0.000590 -0.002852 0.015130 -0.020164 34O 2dx2y2 -0.084505 -0.189089 -0.005340 -0.000393 0.075295 -0.087293 34O 2dxy 0.046664 0.104077 0.001107 0.006178 -0.019954 0.026767 34O 1f0 -0.003839 -0.007028 -0.000420 -0.000565 -0.000053 -0.001197 34O 1f+1 0.022947 0.052450 0.000254 -0.000770 -0.008261 0.009853 34O 1f-1 -0.004869 -0.011452 0.000145 0.000515 0.001209 -0.001486 34O 1f+2 0.002444 0.003338 0.000770 0.000212 -0.000605 0.001030 34O 1f-2 -0.004716 -0.009943 0.000267 -0.000624 0.004107 -0.004439 34O 1f+3 0.025927 0.059935 0.001009 0.000340 -0.010188 0.012178 34O 1f-3 -0.020180 -0.045102 0.000787 0.001354 0.007520 -0.008260 35O 1s 0.015537 0.010337 -0.038135 0.038792 -0.489947 0.466199 35O 2s 0.002286 0.001762 0.046761 -0.047725 0.605929 -0.577458 35O 3s -0.309348 -0.214775 -0.043778 0.048714 -0.652037 0.622536 35O 4s 0.947123 0.643140 0.057126 -0.071766 0.982710 -0.920812 35O 5s 0.361937 0.527384 -0.077693 0.053196 -0.203173 0.366022 35O 1pz -0.010565 -0.007234 -0.000859 0.000147 -0.001148 0.000091 35O 1px -0.080406 -0.060282 -0.000820 0.001839 -0.028699 0.024041 35O 1py -0.036289 -0.027179 -0.000527 0.000576 -0.011875 0.008929 35O 2pz 0.091592 0.070366 0.002406 -0.002610 0.009262 -0.003593 35O 2px 0.627434 0.465754 -0.007722 -0.026017 0.241648 -0.189469 35O 2py 0.291310 0.218229 -0.002235 -0.009466 0.098433 -0.072811 35O 3pz 0.108712 0.041716 0.040877 0.047383 -0.015809 -0.035210 35O 3px 0.131183 0.125451 0.061384 0.146089 0.146416 -0.060813 35O 3py 0.113675 0.075790 0.046212 0.074124 0.039537 -0.094080 35O 1dz2 0.013648 0.009826 0.000672 -0.000214 0.006311 -0.006102 35O 1dxz -0.009396 -0.007932 0.001187 0.003454 -0.000443 0.002532 35O 1dyz 0.003589 0.002222 0.000344 -0.000243 0.004325 -0.003786 35O 1dx2y2 -0.008274 -0.005934 -0.000901 -0.000664 -0.004566 0.004671 35O 1dxy -0.013570 -0.010156 -0.000190 0.001349 -0.003096 0.003753 35O 2dz2 -0.173245 -0.125592 0.000348 0.001659 -0.048804 0.039849 35O 2dxz 0.077131 0.061397 -0.001550 -0.010159 0.005435 -0.011848 35O 2dyz 0.011547 0.011204 -0.000605 -0.000411 -0.010758 0.009242 35O 2dx2y2 0.179536 0.129934 -0.001190 0.000010 0.051435 -0.042624 35O 2dxy 0.217630 0.160715 -0.001456 -0.005721 0.046092 -0.041376 35O 1f0 -0.019815 -0.015242 -0.000721 -0.000844 -0.002529 0.001586 35O 1f+1 -0.071004 -0.051831 0.000197 0.000510 -0.009316 0.008194 35O 1f-1 -0.034695 -0.025992 -0.000606 -0.000209 -0.003405 0.003512 35O 1f+2 0.023208 0.017629 0.000979 0.000410 0.004566 -0.002799 35O 1f-2 0.012428 0.009660 0.000231 0.001468 -0.000118 -0.000164 35O 1f+3 -0.029159 -0.021067 0.000498 0.000554 -0.002399 0.002231 35O 1f-3 -0.092222 -0.067625 -0.000218 -0.000803 -0.009906 0.008968 762 763 764 765 766 767 43.92159 43.94375 43.96745 44.15322 44.15829 44.17929 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s -0.006429 -0.081543 0.000403 0.002141 -0.002647 0.000369 0Rh 2s -0.036983 -0.469027 0.002317 0.012325 -0.015247 0.002129 0Rh 3s -0.063048 -0.799627 0.003950 0.021001 -0.025969 0.003625 0Rh 4s 0.108979 1.381701 -0.006822 -0.036310 0.044984 -0.006279 0Rh 5s -0.056570 -0.713562 0.003507 0.018687 -0.023612 0.003286 0Rh 6s 0.027073 0.329846 -0.001599 -0.008416 0.011796 -0.001611 0Rh 7s -0.006201 -0.016164 0.001210 0.007094 -0.023349 0.000900 0Rh 8s 0.014203 0.065519 0.000874 -0.020163 0.014008 -0.002057 0Rh 1pz 0.000421 -0.000050 -0.000006 0.001020 0.000820 0.000024 0Rh 1px -0.000100 -0.000569 0.000001 0.000465 -0.000029 0.000000 0Rh 1py 0.001011 -0.000106 -0.000015 -0.000754 0.001101 0.000028 0Rh 2pz -0.001942 0.000219 0.000030 -0.004715 -0.003796 -0.000107 0Rh 2px 0.000465 0.002650 -0.000006 -0.002155 0.000139 -0.000002 0Rh 2py -0.004660 0.000493 0.000069 0.003488 -0.005089 -0.000131 0Rh 3pz 0.008864 -0.000648 -0.000194 0.021568 0.017517 0.000487 0Rh 3px -0.002295 -0.013192 0.000023 0.009936 -0.000860 0.000003 0Rh 3py 0.021137 -0.002423 -0.000346 -0.016003 0.023346 0.000611 0Rh 4pz -0.015068 -0.000716 0.000392 -0.035377 -0.029510 -0.001033 0Rh 4px 0.004729 0.028712 -0.000076 -0.016644 0.002705 -0.000034 0Rh 4py -0.035348 0.005285 0.000702 0.026446 -0.038626 -0.001193 0Rh 5pz 0.009801 0.006142 0.000042 0.013699 0.014520 0.001570 0Rh 5px -0.005756 -0.038739 0.000332 0.007882 -0.006212 0.000216 0Rh 5py 0.021212 -0.007479 -0.000657 -0.011047 0.016391 0.001295 0Rh 6pz -0.175219 -0.001869 0.001826 -0.351686 -0.319138 0.004988 0Rh 6px 0.043506 0.212898 -0.002665 -0.182040 0.039276 0.001033 0Rh 6py -0.421850 0.042348 0.001855 0.277937 -0.393958 0.000904 0Rh 1dz2 -0.000154 0.000148 0.000858 -0.000061 -0.000253 -0.000968 0Rh 1dxz 0.000029 0.000182 -0.000073 0.000358 0.000146 -0.000024 0Rh 1dyz -0.000041 -0.000029 0.002055 0.000209 0.000068 -0.002500 0Rh 1dx2y2 0.000023 -0.000387 0.000324 0.000213 0.000181 -0.000431 0Rh 1dxy 0.000219 0.000077 0.000767 -0.000266 0.000352 -0.000983 0Rh 2dz2 0.000536 -0.000318 -0.003225 0.000178 0.000836 0.002947 0Rh 2dxz -0.000095 -0.000367 0.000273 -0.001171 -0.000449 0.000108 0Rh 2dyz 0.000156 0.000142 -0.007750 -0.000691 -0.000238 0.007659 0Rh 2dx2y2 -0.000095 0.000930 -0.001216 -0.000682 -0.000628 0.001335 0Rh 2dxy -0.000767 -0.000401 -0.002907 0.000864 -0.001144 0.003014 0Rh 3dz2 -0.001212 -0.000333 0.008549 -0.000196 -0.001613 -0.004327 0Rh 3dxz 0.000186 -0.000602 -0.000711 0.002172 0.000645 -0.000365 0Rh 3dyz -0.000437 -0.000517 0.020668 0.001328 0.000537 -0.011514 0Rh 3dx2y2 0.000287 0.000140 0.003205 0.001188 0.001409 -0.002099 0Rh 3dxy 0.001776 0.001618 0.007825 -0.001580 0.002075 -0.004560 0Rh 4dz2 0.002758 0.004663 -0.023367 -0.000871 0.002106 0.001282 0Rh 4dxz -0.000484 0.006738 0.001885 -0.002027 0.000901 0.001155 0Rh 4dyz 0.001473 0.001863 -0.056892 -0.001490 -0.001234 0.004825 0Rh 4dx2y2 -0.000799 -0.008636 -0.008679 -0.000596 -0.003325 0.001337 0Rh 4dxy -0.004452 -0.006128 -0.021774 0.001349 -0.001502 0.002068 0Rh 5dz2 -0.007273 -0.001057 0.046123 0.013421 0.005183 -0.034846 0Rh 5dxz 0.005076 -0.004023 -0.003387 -0.014984 -0.019662 0.000924 0Rh 5dyz -0.006456 -0.001816 0.112383 -0.006133 0.007201 -0.089260 0Rh 5dx2y2 -0.001114 0.001187 0.016984 -0.011757 0.011729 -0.014320 0Rh 5dxy 0.016625 0.005936 0.042731 0.011973 -0.019765 -0.035518 0Rh 1f0 0.000485 -0.001233 -0.000092 0.000241 -0.000961 0.000926 0Rh 1f+1 0.000640 0.000747 -0.000115 -0.001616 -0.001430 -0.001279 0Rh 1f-1 0.000805 0.000149 -0.000227 -0.000294 -0.002153 0.001232 0Rh 1f+2 -0.000671 0.001837 0.000177 0.002069 0.001489 0.000874 0Rh 1f-2 0.000971 0.000704 0.000016 0.001645 -0.001483 -0.002612 0Rh 1f+3 -0.000636 0.001661 -0.000075 -0.002069 0.000540 0.000316 0Rh 1f-3 0.001692 0.001099 -0.000083 0.001178 -0.001792 0.001572 1Rh 1s -0.006422 -0.081570 0.000036 -0.001793 0.002723 0.000455 1Rh 2s -0.036940 -0.469180 0.000205 -0.010321 0.015687 0.002623 1Rh 3s -0.062975 -0.799889 0.000349 -0.017586 0.026717 0.004467 1Rh 4s 0.108852 1.382152 -0.000607 0.030407 -0.046279 -0.007737 1Rh 5s -0.056503 -0.713796 0.000327 -0.015648 0.024283 0.004052 1Rh 6s 0.027034 0.329983 -0.000157 0.006977 -0.012104 -0.001991 1Rh 7s -0.006128 -0.016027 -0.001063 -0.007149 0.023052 0.001350 1Rh 8s 0.013810 0.065984 -0.001496 0.021566 -0.013182 -0.002514 1Rh 1pz -0.000422 0.000051 -0.000010 0.001022 0.000822 -0.000016 1Rh 1px 0.000100 0.000566 -0.000002 0.000465 -0.000028 -0.000002 1Rh 1py -0.001012 0.000107 -0.000018 -0.000753 0.001101 -0.000010 1Rh 2pz 0.001946 -0.000225 0.000047 -0.004724 -0.003805 0.000071 1Rh 2px -0.000465 -0.002638 0.000010 -0.002152 0.000136 0.000010 1Rh 2py 0.004664 -0.000497 0.000084 0.003482 -0.005092 0.000045 1Rh 3pz -0.008884 0.000676 -0.000271 0.021615 0.017558 -0.000317 1Rh 3px 0.002296 0.013133 -0.000057 0.009917 -0.000843 -0.000045 1Rh 3py -0.021153 0.002443 -0.000420 -0.015970 0.023367 -0.000220 1Rh 4pz 0.015115 0.000652 0.000520 -0.035480 -0.029581 0.000740 1Rh 4px -0.004728 -0.028580 0.000089 -0.016586 0.002677 0.000118 1Rh 4py 0.035379 -0.005319 0.000857 0.026379 -0.038684 0.000541 1Rh 5pz -0.009847 -0.006041 -0.000035 0.013843 0.014574 -0.001408 1Rh 5px 0.005757 0.038572 0.000140 0.007733 -0.006219 -0.000306 1Rh 5py -0.021228 0.007506 -0.000833 -0.010951 0.016479 -0.001009 1Rh 6pz 0.175164 0.001759 0.003280 -0.352627 -0.320730 -0.008151 1Rh 6px -0.043788 -0.211679 -0.001256 -0.181453 0.039250 0.000243 1Rh 6py 0.421923 -0.043330 0.002547 0.275582 -0.394105 -0.007486 1Rh 1dz2 -0.000154 0.000146 -0.000859 0.000064 0.000273 -0.000965 1Rh 1dxz 0.000034 0.000184 0.000072 -0.000348 -0.000149 -0.000023 1Rh 1dyz -0.000039 -0.000041 -0.002054 -0.000223 -0.000038 -0.002502 1Rh 1dx2y2 0.000023 -0.000394 -0.000319 -0.000224 -0.000177 -0.000432 1Rh 1dxy 0.000220 0.000072 -0.000770 0.000267 -0.000337 -0.000990 1Rh 2dz2 0.000535 -0.000309 0.003226 -0.000190 -0.000899 0.002938 1Rh 2dxz -0.000110 -0.000374 -0.000270 0.001136 0.000459 0.000102 1Rh 2dyz 0.000149 0.000189 0.007747 0.000735 0.000145 0.007663 1Rh 2dx2y2 -0.000096 0.000953 0.001201 0.000719 0.000617 0.001339 1Rh 2dxy -0.000773 -0.000385 0.002918 -0.000868 0.001099 0.003040 1Rh 3dz2 -0.001208 -0.000361 -0.008545 0.000223 0.001721 -0.004311 1Rh 3dxz 0.000218 -0.000583 0.000714 -0.002104 -0.000667 -0.000351 1Rh 3dyz -0.000418 -0.000643 -0.020662 -0.001405 -0.000402 -0.011522 1Rh 3dx2y2 0.000291 0.000083 -0.003184 -0.001260 -0.001399 -0.002113 1Rh 3dxy 0.001790 0.001570 -0.007854 0.001593 -0.002006 -0.004609 1Rh 4dz2 0.002745 0.004757 0.023340 0.000818 -0.002216 0.001258 1Rh 4dxz -0.000542 0.006684 -0.001924 0.001914 -0.000865 0.001108 1Rh 4dyz 0.001423 0.002220 0.056890 0.001576 0.001194 0.004840 1Rh 4dx2y2 -0.000818 -0.008491 0.008681 0.000724 0.003358 0.001388 1Rh 4dxy -0.004486 -0.005979 0.021844 -0.001386 0.001465 0.002119 1Rh 5dz2 -0.007294 -0.001220 -0.046176 -0.013368 -0.004509 -0.034860 1Rh 5dxz 0.005183 -0.003875 0.003409 0.015349 0.019572 0.001217 1Rh 5dyz -0.006430 -0.002538 -0.112438 0.005653 -0.006007 -0.089438 1Rh 5dx2y2 -0.001059 0.000822 -0.016847 0.011253 -0.011678 -0.014534 1Rh 5dxy 0.016657 0.005607 -0.042816 -0.012143 0.020257 -0.035255 1Rh 1f0 -0.000483 0.001232 -0.000104 0.000251 -0.000940 -0.000941 1Rh 1f+1 -0.000635 -0.000746 -0.000108 -0.001629 -0.001450 0.001268 1Rh 1f-1 -0.000813 -0.000160 -0.000228 -0.000304 -0.002137 -0.001256 1Rh 1f+2 0.000676 -0.001827 0.000198 0.002041 0.001494 -0.000858 1Rh 1f-2 -0.000974 -0.000697 0.000023 0.001637 -0.001513 0.002584 1Rh 1f+3 0.000641 -0.001665 -0.000056 -0.002091 0.000535 -0.000299 1Rh 1f-3 -0.001690 -0.001097 -0.000084 0.001173 -0.001774 -0.001602 2C 1s -0.000716 -0.006465 0.000611 -0.002937 -0.007793 0.007713 2C 2s 0.001397 0.012720 -0.001189 0.005855 0.015583 -0.015442 2C 3s -0.004959 -0.005642 -0.000970 -0.009916 -0.029467 0.051973 2C 4s 0.000952 -0.295163 0.015203 -0.094469 -0.232590 0.018851 2C 5s -0.022351 0.837693 0.069622 0.192475 0.409752 -0.991945 2C 1pz -0.000386 -0.011624 -0.000362 -0.006237 -0.013092 0.015165 2C 1px -0.001265 -0.007231 0.002186 -0.004213 -0.008829 0.007567 2C 1py -0.000211 -0.007343 0.000093 -0.001319 -0.009121 0.009296 2C 2pz -0.006247 -0.156916 -0.000381 -0.047671 -0.168071 0.048053 2C 2px -0.016231 0.027431 0.006944 0.027916 0.038193 -0.040843 2C 2py -0.014939 -0.104186 0.007977 -0.072737 -0.098483 0.032378 2C 3pz 0.025594 0.165207 -0.017953 0.012600 0.078146 -0.207852 2C 3px -0.072177 0.064809 0.094081 0.004618 0.068120 -0.064361 2C 3py -0.008303 0.113503 0.022143 0.055289 0.026736 -0.130484 2C 1dz2 -0.002234 -0.003434 0.001812 0.000681 -0.003723 0.001141 2C 1dxz 0.001683 -0.001821 -0.001475 -0.000437 -0.000847 -0.000231 2C 1dyz -0.000339 -0.008682 -0.000232 -0.004510 -0.008345 0.004332 2C 1dx2y2 0.001421 -0.001154 -0.001410 0.000199 -0.003069 0.003399 2C 1dxy 0.001835 -0.004405 -0.001187 -0.000418 -0.006043 0.003909 2C 2dz2 0.008129 -0.044129 -0.011320 -0.013532 -0.046964 0.022040 2C 2dxz -0.022961 -0.047089 0.020981 -0.026301 -0.063986 0.038825 2C 2dyz -0.001092 -0.026969 -0.004570 -0.011354 -0.017011 0.004055 2C 2dx2y2 0.002382 0.059664 -0.001591 0.033011 0.078054 -0.050401 2C 2dxy -0.013019 0.010571 0.011050 0.009147 0.014642 -0.011113 2C 1f0 -0.001415 -0.002697 0.000550 0.001571 -0.003562 0.000579 2C 1f+1 0.000974 -0.010403 -0.000773 -0.002714 -0.013251 0.006488 2C 1f-1 -0.000852 -0.004461 0.000501 -0.000351 -0.000457 0.000494 2C 1f+2 0.000303 0.005569 -0.000341 0.003503 0.003758 -0.001670 2C 1f-2 0.002706 -0.004607 0.000297 -0.001789 -0.003311 0.001970 2C 1f+3 0.000943 -0.001106 -0.001225 -0.000969 -0.000848 0.001003 2C 1f-3 -0.000267 -0.004875 -0.000464 -0.003542 -0.005970 0.002923 3C 1s -0.000249 -0.006469 -0.000324 -0.007738 0.002831 -0.007656 3C 2s 0.000495 0.012731 0.000627 0.015480 -0.005639 0.015333 3C 3s 0.002706 -0.006395 0.000579 -0.030049 0.008253 -0.052174 3C 4s -0.033948 -0.291064 -0.002719 -0.226306 0.102993 -0.015433 3C 5s 0.100018 0.831133 -0.058992 0.412748 -0.211025 0.989705 3C 1pz -0.000623 -0.003694 0.000862 -0.004533 -0.000606 -0.005693 3C 1px 0.000414 -0.007315 -0.001665 -0.008928 0.003050 -0.008187 3C 1py 0.001167 0.013060 -0.000237 0.015011 -0.007053 0.016400 3C 2pz -0.010473 -0.121865 0.001616 -0.122711 0.087005 -0.052852 3C 2px 0.007039 -0.022072 -0.011164 -0.010904 0.012972 0.014199 3C 2py 0.010184 0.139989 -0.006596 0.143277 -0.042347 0.033323 3C 3pz -0.006932 0.082845 0.026820 -0.003635 -0.046426 0.100197 3C 3px 0.059930 0.085206 -0.093736 0.048942 -0.029406 0.090192 3C 3py -0.003942 -0.172429 -0.006375 -0.094453 0.015611 -0.214739 3C 1dz2 0.000265 0.004454 -0.000645 0.006587 0.000621 0.004543 3C 1dxz 0.001047 -0.001162 -0.000478 0.000009 0.000578 0.001098 3C 1dyz 0.000056 0.008025 0.000485 0.008370 -0.003715 0.004539 3C 1dx2y2 -0.001201 0.001554 0.001775 0.000323 0.000176 -0.001426 3C 1dxy 0.002760 0.004810 -0.002477 0.004069 -0.002489 0.001947 3C 2dz2 -0.003873 -0.013518 0.004745 -0.020525 0.015019 -0.017578 3C 2dxz 0.001676 -0.043719 -0.008077 -0.057935 0.024660 -0.036263 3C 2dyz 0.007667 0.010366 -0.012840 -0.004974 -0.002560 -0.008211 3C 2dx2y2 0.011334 0.069468 -0.010915 0.080290 -0.033170 0.045269 3C 2dxy -0.011374 0.035448 0.016633 0.040527 -0.019439 0.021262 3C 1f0 -0.000106 0.000233 -0.000336 -0.003029 0.000384 -0.001156 3C 1f+1 -0.000216 -0.003230 0.000143 -0.003658 0.003013 -0.001720 3C 1f-1 -0.000723 -0.002268 -0.000212 -0.004067 -0.001544 -0.001382 3C 1f+2 -0.000531 0.001670 0.001386 -0.002242 0.000181 -0.001377 3C 1f-2 0.001651 0.007251 -0.000554 0.005930 -0.003783 0.002927 3C 1f+3 -0.002361 -0.009702 0.000745 -0.010747 0.003183 -0.005657 3C 1f-3 -0.000915 0.006753 0.000030 0.008027 -0.000922 0.003463 4C 1s -0.001670 -0.024353 0.000955 -0.011756 -0.031761 0.021599 4C 2s 0.003537 0.051823 -0.001995 0.025131 0.067831 -0.046493 4C 3s -0.001717 -0.018636 0.004766 -0.008259 -0.013866 0.055171 4C 4s -0.027283 -0.431336 0.001170 -0.193208 -0.573846 0.169022 4C 5s 0.011049 -0.406098 -0.052420 -0.037021 -0.113957 -0.416813 4C 1pz 0.010054 0.000225 -0.010435 -0.003365 -0.009427 0.011069 4C 1px -0.030055 0.006555 0.031242 -0.000112 0.000064 0.001781 4C 1py -0.005461 0.001816 0.005426 -0.001667 -0.006840 0.007657 4C 2pz 0.164091 -0.447762 -0.101220 -0.172573 -0.424407 0.194409 4C 2px -0.605428 0.029792 0.349220 -0.009656 -0.087156 0.033826 4C 2py -0.127657 -0.255232 0.070343 -0.099573 -0.287380 0.128099 4C 3pz -0.049634 0.471245 0.128162 0.173018 0.305184 -1.103142 4C 3px 0.189145 0.030032 -0.341819 0.046477 0.012252 -0.194831 4C 3py 0.040375 0.298667 -0.050320 0.043283 0.232659 -0.752196 4C 1dz2 0.021301 0.004626 -0.013147 -0.004573 0.014372 -0.007157 4C 1dxz -0.033780 0.027614 0.022103 0.006939 0.027943 -0.019489 4C 1dyz -0.000808 -0.017204 -0.000202 -0.002210 -0.019719 0.015210 4C 1dx2y2 -0.005935 -0.037127 0.002602 -0.023395 -0.044508 0.034088 4C 1dxy -0.026271 -0.017355 0.017767 -0.009784 -0.026783 0.020047 4C 2dz2 0.137047 0.106488 -0.099668 0.093285 0.147815 -0.074217 4C 2dxz -0.209610 0.200664 0.156630 0.101451 0.202022 -0.083958 4C 2dyz 0.016108 0.082137 -0.008810 0.011074 0.087920 -0.060530 4C 2dx2y2 -0.026016 -0.210832 0.016952 -0.075697 -0.295017 0.104394 4C 2dxy -0.177677 -0.023561 0.122422 -0.021475 -0.082477 0.016247 4C 1f0 0.001922 0.006190 -0.001682 0.003629 0.009403 -0.000719 4C 1f+1 -0.005045 0.019562 0.004535 0.006618 0.027222 -0.005080 4C 1f-1 0.013520 -0.010970 -0.009388 -0.003527 -0.009615 0.004293 4C 1f+2 0.017376 -0.014337 -0.011676 -0.003746 -0.017474 0.002203 4C 1f-2 -0.022674 0.001774 0.016017 0.004379 -0.004486 0.000583 4C 1f+3 0.015534 -0.005905 -0.009796 -0.006458 -0.002258 0.000734 4C 1f-3 0.023964 0.012556 -0.015679 0.011936 0.022292 -0.004829 5C 1s -0.001555 -0.024362 -0.000084 -0.031537 0.011941 -0.021490 5C 2s 0.003272 0.051844 0.000191 0.067371 -0.025532 0.046274 5C 3s 0.000291 -0.018422 -0.001794 -0.014552 0.010095 -0.055549 5C 4s -0.034927 -0.432971 -0.000057 -0.566480 0.187969 -0.165650 5C 5s -0.062551 -0.402679 0.035230 -0.105305 0.047931 0.420273 5C 1pz -0.006674 -0.001022 0.010182 -0.007050 0.001632 -0.007446 5C 1px 0.021255 0.004269 -0.031319 -0.003573 0.001271 -0.003873 5C 1py 0.003530 -0.001581 -0.006221 0.008825 -0.002972 0.010995 5C 2pz -0.153315 -0.262286 0.114065 -0.252118 0.103983 -0.111385 5C 2px 0.409571 -0.093834 -0.350192 -0.147791 0.032010 -0.070329 5C 2py 0.107301 0.421624 -0.064812 0.419159 -0.176076 0.189479 5C 3pz 0.062294 0.292590 -0.125345 0.228054 -0.040134 0.678671 5C 3px -0.118681 0.124789 0.335203 0.113818 -0.036499 0.402320 5C 3py -0.059458 -0.456682 0.080208 -0.293739 0.179323 -1.095158 5C 1dz2 -0.008374 0.025293 0.008230 0.029003 -0.020110 0.023829 5C 1dxz 0.015933 0.023090 -0.011716 0.025884 -0.014746 0.019717 5C 1dyz 0.012564 0.026455 -0.010461 0.029443 -0.006326 0.022301 5C 1dx2y2 0.012758 -0.028619 -0.013322 -0.040374 0.007997 -0.027413 5C 1dxy -0.022522 -0.007333 0.022403 -0.006048 0.002577 -0.003264 5C 2dz2 -0.044493 0.071768 0.057148 0.127287 -0.000267 0.029573 5C 2dxz 0.082510 0.168462 -0.083755 0.206472 -0.061831 0.078407 5C 2dyz 0.069919 -0.013742 -0.073873 -0.010135 -0.019878 -0.030141 5C 2dx2y2 0.074078 -0.215701 -0.095493 -0.283212 0.133332 -0.117052 5C 2dxy -0.167250 -0.137554 0.160304 -0.138543 0.065136 -0.067883 5C 1f0 0.013111 0.016091 -0.011544 0.017814 -0.009697 0.005034 5C 1f+1 -0.011672 0.011849 0.012206 0.017376 -0.010736 0.003863 5C 1f-1 0.008503 0.001234 -0.008515 -0.001368 -0.004225 0.000006 5C 1f+2 -0.001080 0.005530 0.000809 0.008591 0.002124 0.003159 5C 1f-2 -0.021982 -0.012045 0.020950 -0.014478 0.004614 -0.001937 5C 1f+3 -0.005060 0.009588 0.004769 0.015868 -0.004777 0.002221 5C 1f-3 0.004803 -0.015037 -0.006352 -0.023177 0.003829 -0.003183 6C 1s -0.001531 -0.024436 0.000230 0.031420 -0.011638 -0.021762 6C 2s 0.003220 0.052000 -0.000502 -0.067117 0.024877 0.046855 6C 3s 0.000525 -0.018608 0.002017 0.014472 -0.009162 -0.055742 6C 4s -0.035582 -0.433369 0.002256 0.564489 -0.186373 -0.169831 6C 5s -0.063087 -0.404164 -0.033869 0.105938 -0.054430 0.418662 6C 1pz 0.006652 0.001100 0.010173 -0.006975 0.001545 0.007471 6C 1px -0.021206 -0.004514 -0.031256 -0.003513 0.001170 0.003899 6C 1py -0.003507 0.001505 -0.006227 0.008766 -0.002825 -0.011056 6C 2pz 0.153184 0.263781 0.112345 -0.251605 0.102833 0.113749 6C 2px -0.408976 0.091200 -0.349741 -0.147377 0.029403 0.071214 6C 2py -0.107023 -0.422993 -0.062132 0.418151 -0.173591 -0.193401 6C 3pz -0.061760 -0.293800 -0.124150 0.225612 -0.030869 -0.679482 6C 3px 0.118469 -0.121554 0.335506 0.112416 -0.030616 -0.402662 6C 3py 0.058797 0.457673 0.078189 -0.290532 0.164174 1.098073 6C 1dz2 -0.008380 0.025255 -0.008373 -0.028831 0.019732 0.024191 6C 1dxz 0.015894 0.023227 0.011561 -0.025782 0.014508 0.020009 6C 1dyz 0.012526 0.026569 0.010292 -0.029333 0.006041 0.022484 6C 1dx2y2 0.012751 -0.028579 0.013450 0.040208 -0.007582 -0.027678 6C 1dxy -0.022476 -0.007490 -0.022308 0.005979 -0.002601 -0.003285 6C 2dz2 -0.044429 0.071444 -0.057407 -0.126902 -0.000301 0.029963 6C 2dxz 0.082320 0.169865 0.082514 -0.206272 0.061134 0.080249 6C 2dyz 0.069928 -0.013069 0.073829 0.010164 0.020705 -0.029852 6C 2dx2y2 0.073898 -0.215458 0.096492 0.282381 -0.131271 -0.119816 6C 2dxy -0.167009 -0.139369 -0.159204 0.138404 -0.064697 -0.069451 6C 1f0 -0.013113 -0.016217 -0.011438 0.017752 -0.009658 -0.005222 6C 1f+1 0.011625 -0.011781 0.012234 0.017319 -0.010654 -0.004074 6C 1f-1 -0.008496 -0.001326 -0.008502 -0.001333 -0.004251 -0.000074 6C 1f+2 0.001110 -0.005562 0.000846 0.008627 0.002185 -0.003167 6C 1f-2 0.021961 0.012259 0.020839 -0.014454 0.004691 0.002080 6C 1f+3 0.005023 -0.009572 0.004780 0.015831 -0.004735 -0.002347 6C 1f-3 -0.004783 0.015002 -0.006431 -0.023068 0.003786 0.003308 7C 1s -0.001663 -0.024377 -0.000820 0.011791 0.031485 0.021993 7C 2s 0.003523 0.051872 0.001706 -0.025206 -0.067236 -0.047333 7C 3s -0.001542 -0.018736 -0.004767 0.008486 0.013097 0.055216 7C 4s -0.028098 -0.431193 0.001577 0.193201 0.571767 0.176598 7C 5s 0.012310 -0.406179 0.056450 0.032294 0.120366 -0.415212 7C 1pz -0.010026 -0.000274 -0.010473 -0.003415 -0.009233 -0.011174 7C 1px 0.030018 -0.006408 0.031382 -0.000141 0.000087 -0.001767 7C 1py 0.005446 -0.001816 0.005431 -0.001713 -0.006690 -0.007730 7C 2pz -0.163896 0.447204 -0.104209 -0.172186 -0.421415 -0.199380 7C 2px 0.604695 -0.029645 0.351187 -0.009999 -0.087328 -0.034743 7C 2py 0.127359 0.256574 0.069195 -0.100091 -0.287423 -0.132342 7C 3pz 0.050760 -0.471191 0.132067 0.173692 0.291501 1.105877 7C 3px -0.188763 -0.031022 -0.342423 0.046093 0.008998 0.193609 7C 3py -0.039614 -0.300162 -0.047996 0.043637 0.222879 0.756069 7C 1dz2 0.021255 0.004773 0.013147 0.004523 -0.014492 -0.007464 7C 1dxz -0.033716 0.027543 -0.022354 -0.006882 -0.027646 -0.019836 7C 1dyz -0.000785 -0.017262 0.000311 0.002324 0.019608 0.015514 7C 1dx2y2 -0.005880 -0.037134 -0.002357 0.023382 0.044000 0.034583 7C 1dxy -0.026311 -0.017411 -0.017797 0.009829 0.026570 0.020377 7C 2dz2 0.136413 0.106633 0.099253 -0.093536 -0.146660 -0.075696 7C 2dxz -0.209004 0.200394 -0.158263 -0.101578 -0.200815 -0.086535 7C 2dyz 0.016271 0.082301 0.008675 -0.011704 -0.087479 -0.061798 7C 2dx2y2 -0.025739 -0.211345 -0.015582 0.076108 0.294415 0.108551 7C 2dxy -0.177942 -0.023574 -0.123134 0.021421 0.082263 0.017188 7C 1f0 -0.001839 -0.006301 -0.001592 0.003670 0.009516 0.000918 7C 1f+1 0.004925 -0.019544 0.004622 0.006592 0.027203 0.005476 7C 1f-1 -0.013561 0.010953 -0.009518 -0.003552 -0.009537 -0.004401 7C 1f+2 -0.017368 0.014231 -0.011846 -0.003663 -0.017307 -0.002372 7C 1f-2 0.022721 -0.001833 0.016164 0.004377 -0.004407 -0.000602 7C 1f+3 -0.015425 0.005908 -0.009802 -0.006469 -0.002241 -0.000740 7C 1f-3 -0.023894 -0.012616 -0.015631 0.011946 0.022275 0.005099 8C 1s -0.000237 -0.006477 0.000371 0.007706 -0.002728 -0.007724 8C 2s 0.000470 0.012747 -0.000719 -0.015417 0.005432 0.015468 8C 3s 0.002801 -0.006330 -0.000570 0.029733 -0.007578 -0.052367 8C 4s -0.034110 -0.292128 0.004579 0.226640 -0.102487 -0.017859 8C 5s 0.100080 0.833102 0.055985 -0.409514 0.197341 0.993544 8C 1pz 0.000618 0.003729 0.000853 -0.004531 -0.000670 0.005720 8C 1px -0.000409 0.007413 -0.001717 -0.009008 0.002988 0.008340 8C 1py -0.001156 -0.013040 -0.000164 0.014867 -0.006809 -0.016505 8C 2pz 0.010413 0.122034 0.000802 -0.122299 0.086007 0.054373 8C 2px -0.007148 0.021053 -0.011125 -0.009696 0.012515 -0.014859 8C 2py -0.010084 -0.140937 -0.005783 0.143983 -0.041834 -0.034930 8C 3pz 0.006863 -0.082718 0.027136 -0.003529 -0.044961 -0.100808 8C 3px -0.059725 -0.086430 -0.093264 0.049321 -0.028558 -0.091168 8C 3py 0.003788 0.172410 -0.007006 -0.093389 0.012500 0.214971 8C 1dz2 0.000276 0.004477 0.000639 -0.006569 -0.000680 0.004558 8C 1dxz 0.001039 -0.001178 0.000480 0.000034 -0.000564 0.001073 8C 1dyz 0.000054 0.008027 -0.000520 -0.008330 0.003638 0.004607 8C 1dx2y2 -0.001214 0.001534 -0.001795 -0.000330 -0.000183 -0.001434 8C 1dxy 0.002739 0.004858 0.002423 -0.004095 0.002486 0.002014 8C 2dz2 -0.003859 -0.013719 -0.004602 0.020562 -0.014883 -0.017970 8C 2dxz 0.001662 -0.043994 0.008305 0.058132 -0.024114 -0.037031 8C 2dyz 0.007651 0.010390 0.012861 0.005051 0.002613 -0.008285 8C 2dx2y2 0.011253 0.069664 0.010491 -0.080001 0.032413 0.045975 8C 2dxy -0.011378 0.035557 -0.016799 -0.040643 0.019137 0.021799 8C 1f0 0.000115 -0.000240 -0.000341 -0.002992 0.000370 0.001155 8C 1f+1 0.000208 0.003251 0.000140 -0.003657 0.003021 0.001790 8C 1f-1 0.000718 0.002267 -0.000239 -0.004048 -0.001555 0.001368 8C 1f+2 0.000523 -0.001639 0.001409 -0.002257 0.000179 0.001401 8C 1f-2 -0.001660 -0.007322 -0.000481 0.005976 -0.003767 -0.003024 8C 1f+3 0.002356 0.009755 0.000710 -0.010767 0.003105 0.005761 8C 1f-3 0.000923 -0.006693 0.000060 0.007877 -0.000827 -0.003424 9C 1s -0.000723 -0.006473 -0.000587 0.002951 0.007701 0.007813 9C 2s 0.001411 0.012736 0.001141 -0.005884 -0.015399 -0.015642 9C 3s -0.005149 -0.005617 0.001023 0.009964 0.028755 0.052333 9C 4s 0.001842 -0.295612 -0.013787 0.094627 0.232957 0.021882 9C 5s -0.025512 0.839008 -0.077132 -0.189741 -0.398143 -0.996807 9C 1pz 0.000360 0.011527 -0.000458 -0.006177 -0.012752 -0.015198 9C 1px 0.001292 0.007295 0.002165 -0.004235 -0.008779 -0.007694 9C 1py 0.000235 0.007514 0.000072 -0.001410 -0.009227 -0.009626 9C 2pz 0.006367 0.157656 -0.000933 -0.048273 -0.168848 -0.050894 9C 2px 0.015839 -0.028373 0.006924 0.028414 0.038714 0.042076 9C 2py 0.014611 0.103531 0.007169 -0.072326 -0.096982 -0.032505 9C 3pz -0.025195 -0.164832 -0.016796 0.011655 0.074727 0.207564 9C 3px 0.072307 -0.064243 0.094957 0.004667 0.067525 0.064880 9C 3py 0.008588 -0.114840 0.023292 0.055467 0.027014 0.132624 9C 1dz2 -0.002206 -0.003377 -0.001784 -0.000729 0.003648 0.001083 9C 1dxz 0.001626 -0.001820 0.001452 0.000432 0.000870 -0.000224 9C 1dyz -0.000357 -0.008718 0.000256 0.004572 0.008325 0.004481 9C 1dx2y2 0.001406 -0.001098 0.001415 -0.000157 0.002938 0.003367 9C 1dxy 0.001905 -0.004397 0.001276 0.000420 0.005989 0.003974 9C 2dz2 0.008143 -0.043682 0.011630 0.013359 0.046406 0.022621 9C 2dxz -0.022835 -0.047216 -0.020801 0.026425 0.063763 0.039963 9C 2dyz -0.000950 -0.027189 0.004840 0.011442 0.017167 0.004142 9C 2dx2y2 0.002557 0.060102 0.001375 -0.033140 -0.077890 -0.051479 9C 2dxy -0.013172 0.010627 -0.011263 -0.009216 -0.014615 -0.011486 9C 1f0 0.001375 0.002546 0.000522 0.001611 -0.003417 -0.000567 9C 1f+1 -0.000985 0.010317 -0.000842 -0.002693 -0.013077 -0.006584 9C 1f-1 0.000839 0.004455 0.000469 -0.000299 -0.000473 -0.000495 9C 1f+2 -0.000265 -0.005683 -0.000363 0.003548 0.003807 0.001735 9C 1f-2 -0.002710 0.004685 0.000272 -0.001827 -0.003419 -0.002116 9C 1f+3 -0.000949 0.001143 -0.001230 -0.000971 -0.000892 -0.001052 9C 1f-3 0.000289 0.004930 -0.000553 -0.003600 -0.005979 -0.003014 10H 1s -0.000504 -0.005331 0.002283 -0.004075 -0.010437 0.009736 10H 2s -0.014152 -0.066945 0.005063 -0.037901 -0.086053 0.051671 10H 3s 0.032708 -0.060758 -0.029618 -0.011438 -0.043822 0.050885 10H 1pz -0.003117 -0.003555 0.002276 -0.004384 -0.009264 0.005049 10H 1px 0.003699 0.006019 -0.001639 0.004686 0.009545 -0.007520 10H 1py -0.001180 -0.004395 0.000991 -0.003896 -0.008671 0.005082 11H 1s -0.000121 0.005917 -0.000463 0.003161 0.004982 -0.002910 11H 2s 0.005724 0.032032 -0.018406 0.033433 0.049262 -0.035651 11H 3s -0.004830 -0.067029 0.003662 -0.036533 -0.013939 0.050482 11H 1pz 0.001454 0.006695 -0.004572 0.006668 0.005215 -0.004161 11H 1px 0.000733 0.010375 -0.002075 0.007555 0.011614 -0.008350 11H 1py 0.000918 0.002390 0.000355 0.000848 0.003642 -0.002626 12H 1s 0.000177 0.002519 -0.000216 -0.000354 0.000133 0.001399 12H 2s 0.000401 0.008728 -0.014990 -0.002943 0.028831 -0.021563 12H 3s -0.003861 -0.063393 0.004819 0.000172 -0.037432 0.055381 12H 1pz 0.001448 0.003272 -0.002096 0.000172 0.003654 -0.002558 12H 1px 0.001253 0.010679 -0.002466 0.003762 0.014677 -0.009938 12H 1py 0.000352 0.003532 -0.003785 -0.003085 0.003651 -0.001841 13H 1s -0.000750 -0.004484 -0.001670 -0.009634 0.003623 -0.008908 13H 2s 0.005211 -0.059113 -0.002798 -0.072901 0.035998 -0.042417 13H 3s -0.030134 -0.060433 0.026706 -0.042974 0.013304 -0.051982 13H 1pz 0.002360 -0.007485 -0.001526 -0.013079 0.006828 -0.008560 13H 1px -0.001540 0.001693 0.000858 0.002488 -0.001844 0.002585 13H 1py -0.001735 0.000114 0.001980 0.003661 -0.002604 0.001190 14H 1s 0.001540 0.000637 0.000257 -0.001930 0.000792 -0.003034 14H 2s -0.005167 -0.003683 0.011397 0.012064 0.010649 0.011249 14H 3s 0.004293 -0.061145 -0.006615 -0.039621 0.002694 -0.055223 14H 1pz -0.001134 -0.003643 0.001828 -0.006211 0.005414 -0.004559 14H 1px -0.000607 0.008348 0.003118 0.011075 -0.000464 0.007223 14H 1py 0.000863 -0.005002 -0.002251 -0.005513 0.000872 -0.004083 15H 1s -0.000162 0.006898 0.000262 0.006197 -0.004014 0.003786 15H 2s 0.001525 0.035582 0.013582 0.053737 -0.033576 0.036120 15H 3s -0.009871 -0.066052 -0.002220 -0.013273 0.038912 -0.048143 15H 1pz -0.000610 -0.002453 -0.000554 -0.002276 0.002168 -0.001318 15H 1px 0.001325 0.007253 -0.000321 0.008616 -0.004917 0.006085 15H 1py 0.000039 -0.009251 -0.003856 -0.008275 0.008170 -0.005808 16H 1s 0.002242 0.004968 0.002347 -0.000481 -0.000610 0.001001 16H 2s 0.039673 -0.014277 -0.019005 0.005395 0.054161 -0.012579 16H 3s -0.014180 -0.019022 0.003554 -0.008270 -0.021487 0.014307 16H 1pz 0.013961 -0.000436 -0.006937 0.000686 0.014756 -0.005976 16H 1px 0.000798 0.001448 0.001639 0.000690 0.000560 0.000227 16H 1py 0.005544 0.001988 -0.003299 0.000555 0.004638 -0.002960 17H 1s 0.002978 0.004763 -0.002020 0.000515 0.000558 -0.001147 17H 2s 0.031800 -0.010130 0.011657 -0.028020 0.032598 0.008226 17H 3s -0.007204 -0.022202 -0.001920 0.022775 -0.004173 -0.011719 17H 1pz -0.008781 -0.001464 -0.001720 0.006272 -0.007403 -0.002201 17H 1px -0.007602 0.001816 -0.003509 0.002062 -0.007479 -0.002297 17H 1py 0.005901 0.002498 0.003591 -0.003355 0.003467 0.003287 18H 1s 0.002976 0.004810 0.001900 -0.000449 -0.000540 -0.001137 18H 2s 0.032061 -0.010862 -0.011003 0.025548 -0.033368 0.007427 18H 3s -0.006848 -0.022127 0.002133 -0.022854 0.003829 -0.011323 18H 1pz 0.008989 0.001463 -0.001653 0.006014 -0.007661 0.002002 18H 1px 0.007804 -0.001977 -0.003383 0.001467 -0.007841 0.002125 18H 1py -0.005608 -0.002403 0.003557 -0.002909 0.003290 -0.003177 19H 1s 0.002158 0.004988 -0.002427 0.000484 0.000684 0.001001 19H 2s 0.039035 -0.014562 0.019626 -0.007783 -0.054217 -0.013460 19H 3s -0.014351 -0.019172 -0.003432 0.007863 0.021415 0.014569 19H 1pz -0.013471 0.000570 -0.007036 0.001467 0.014447 0.006218 19H 1px -0.000789 -0.001444 0.001674 0.000408 0.000476 -0.000244 19H 1py -0.005879 -0.002032 -0.003368 0.000776 0.005041 0.003092 20H 1s -0.000179 0.006874 -0.000308 -0.006118 0.003913 0.003807 20H 2s 0.001493 0.035437 -0.014138 -0.053351 0.033086 0.036685 20H 3s -0.009947 -0.066228 0.002640 0.013264 -0.038192 -0.048738 20H 1pz 0.000611 0.002456 -0.000597 -0.002265 0.002157 0.001347 20H 1px -0.001307 -0.007432 -0.000208 0.008784 -0.004929 -0.006317 20H 1py -0.000051 0.009175 -0.003989 -0.008162 0.008060 0.005895 21H 1s 0.001551 0.000744 -0.000241 0.001761 -0.000709 -0.002942 21H 2s -0.005008 -0.002883 -0.011570 -0.013303 -0.010337 0.011939 21H 3s 0.004054 -0.061428 0.006674 0.039313 -0.001775 -0.055397 21H 1pz 0.001101 0.003540 0.001849 -0.005984 0.005301 0.004532 21H 1px 0.000569 -0.008534 0.003182 0.011312 -0.000459 -0.007441 21H 1py -0.000872 0.004986 -0.002283 -0.005507 0.000814 0.004103 22H 1s -0.000726 -0.004542 0.001720 0.009670 -0.003531 -0.009050 22H 2s 0.005182 -0.059888 0.003073 0.073704 -0.035507 -0.043815 22H 3s -0.030183 -0.060810 -0.026549 0.042577 -0.012894 -0.052273 22H 1pz -0.002357 0.007503 -0.001566 -0.013049 0.006652 0.008702 22H 1px 0.001551 -0.001837 0.000866 0.002705 -0.001858 -0.002776 22H 1py 0.001724 -0.000277 0.001967 0.003915 -0.002657 -0.001416 23H 1s 0.000220 0.002707 0.000209 0.000284 -0.000414 0.001201 23H 2s 0.000667 0.010110 0.015443 0.002165 -0.030344 -0.022969 23H 3s -0.003356 -0.063641 -0.004321 -0.000769 0.036492 0.055656 23H 1pz -0.001446 -0.003236 -0.002051 0.000170 0.003604 0.002572 23H 1px -0.001240 -0.010718 -0.002377 0.003834 0.014589 0.010143 23H 1py -0.000401 -0.003905 -0.003897 -0.002931 0.004139 0.002207 24H 1s -0.000172 0.005816 0.000422 -0.003077 -0.004776 -0.002826 24H 2s 0.005699 0.031520 0.018434 -0.033284 -0.048122 -0.036231 24H 3s -0.004684 -0.067221 -0.003183 0.036092 0.013776 0.051096 24H 1pz -0.001439 -0.006543 -0.004559 0.006556 0.004925 0.004102 24H 1px -0.000764 -0.010519 -0.002148 0.007674 0.011675 0.008669 24H 1py -0.000979 -0.002613 0.000277 0.001000 0.003865 0.002827 25H 1s -0.000525 -0.005408 -0.002291 0.004138 0.010385 0.009940 25H 2s -0.014471 -0.067723 -0.004776 0.038116 0.086665 0.053514 25H 3s 0.033338 -0.060698 0.030593 0.011421 0.043053 0.051344 25H 1pz 0.003211 0.003844 0.002268 -0.004490 -0.009622 -0.005445 25H 1px -0.003762 -0.006108 -0.001645 0.004706 0.009599 0.007734 25H 1py 0.001147 0.004210 0.000950 -0.003756 -0.008347 -0.004980 26O 1s -0.603669 -0.369845 0.506344 -0.233572 -0.652111 0.490222 26O 2s 0.747775 0.458423 -0.627805 0.290953 0.812456 -0.610952 26O 3s -0.807205 -0.493115 0.675984 -0.324229 -0.908960 0.676761 26O 4s 1.202571 0.675898 -0.979613 0.477709 1.346485 -0.994230 26O 5s -0.476718 -0.140545 0.482558 -0.259506 -0.631080 1.039655 26O 1pz -0.000676 0.003169 0.004035 0.001679 0.000858 -0.001675 26O 1px 0.029847 0.025976 -0.022698 0.013727 0.036398 -0.021866 26O 1py 0.011095 0.011694 -0.006226 0.003493 0.014985 -0.009052 26O 2pz 0.000833 -0.030382 -0.015187 -0.016821 -0.023936 0.010853 26O 2px -0.245135 -0.156729 0.175860 -0.088013 -0.244636 0.119884 26O 2py -0.092966 -0.077325 0.057392 -0.026874 -0.111710 0.050600 26O 3pz -0.074357 -0.101730 -0.046489 -0.062944 -0.241369 0.215313 26O 3px -0.117247 -0.043656 -0.045005 0.004066 -0.084934 -0.155329 26O 3py -0.052928 -0.074416 -0.046612 -0.087121 -0.164966 0.078586 26O 1dz2 0.008578 0.004207 -0.003721 0.000792 0.007557 -0.005771 26O 1dxz -0.001862 -0.004153 0.002264 -0.003799 -0.005295 0.005583 26O 1dyz 0.005693 -0.002997 -0.002278 -0.000495 -0.003010 0.000284 26O 1dx2y2 -0.005038 -0.004413 0.001637 -0.004423 -0.005828 0.004012 26O 1dxy -0.005057 -0.007776 0.002469 -0.002682 -0.011375 0.007828 26O 2dz2 -0.056256 -0.030472 0.028135 -0.011710 -0.053006 0.030498 26O 2dxz 0.009719 0.026884 -0.008366 0.021055 0.035202 -0.027452 26O 2dyz -0.013645 0.018011 0.002705 0.005746 0.019760 -0.005858 26O 2dx2y2 0.053065 0.032958 -0.028633 0.027358 0.049784 -0.025672 26O 2dxy 0.051473 0.053188 -0.030496 0.020655 0.081842 -0.044173 26O 1f0 0.002399 0.002390 -0.000979 0.002830 0.003959 -0.002568 26O 1f+1 0.010067 0.007123 -0.007339 0.003854 0.010117 -0.006654 26O 1f-1 0.004109 0.003000 -0.004325 0.001779 0.006051 -0.001892 26O 1f+2 -0.004632 0.000001 0.003480 -0.000402 -0.001494 -0.000108 26O 1f-2 0.000641 -0.004535 -0.001930 -0.002733 -0.006885 0.004934 26O 1f+3 0.003793 0.004273 -0.002890 0.003272 0.005122 -0.003658 26O 1f-3 0.010744 0.012637 -0.006608 0.005623 0.018872 -0.012153 27O 1s 0.372109 -0.409232 -0.494064 -0.648933 0.237121 -0.484924 27O 2s -0.460910 0.507215 0.612545 0.808340 -0.295389 0.604317 27O 3s 0.497726 -0.546124 -0.659370 -0.902569 0.329033 -0.669098 27O 4s -0.748858 0.756642 0.956312 1.335735 -0.485410 0.982494 27O 5s 0.323303 -0.160916 -0.467726 -0.647957 0.271104 -1.028173 27O 1pz 0.002694 -0.001854 -0.005056 -0.003239 0.003071 -0.001706 27O 1px -0.018474 0.030071 0.022596 0.038544 -0.013398 0.023147 27O 1py 0.001677 -0.006776 0.001391 -0.005527 0.003595 -0.004352 27O 2pz -0.020976 0.003947 0.030144 0.010503 -0.015322 0.008446 27O 2px 0.157251 -0.189788 -0.179011 -0.260950 0.087168 -0.126927 27O 2py -0.015935 0.052280 0.005539 0.053818 -0.028205 0.025348 27O 3pz 0.047378 -0.067352 0.027479 -0.130406 0.092032 -0.156505 27O 3px 0.079489 -0.079618 0.054156 -0.105155 0.029711 0.119880 27O 3py -0.017612 0.099004 -0.050242 0.234245 -0.063049 0.186653 27O 1dz2 -0.001497 0.005825 0.001017 0.007026 -0.004064 0.004907 27O 1dxz -0.001362 -0.000936 -0.000550 -0.002488 -0.001653 -0.001887 27O 1dyz 0.005138 0.000747 -0.003329 0.000368 0.001308 -0.001981 27O 1dx2y2 0.005738 -0.007647 -0.003915 -0.011184 0.002340 -0.007902 27O 1dxy -0.000867 0.006441 0.001815 0.008473 -0.004223 0.006600 27O 2dz2 0.023917 -0.041827 -0.021880 -0.054749 0.023314 -0.029517 27O 2dxz 0.009750 0.004748 -0.004331 0.010657 0.008065 0.007523 27O 2dyz -0.016145 -0.004092 0.007473 -0.002519 -0.004787 0.006098 27O 2dx2y2 -0.047106 0.055850 0.040911 0.081737 -0.021406 0.044351 27O 2dxy 0.010638 -0.043588 -0.015225 -0.057619 0.026790 -0.035970 27O 1f0 -0.000012 -0.001240 -0.001748 -0.001669 0.001817 -0.000311 27O 1f+1 -0.004534 0.010632 0.004956 0.014638 -0.004476 0.009751 27O 1f-1 0.000582 -0.002694 -0.000604 -0.004605 0.000911 -0.002413 27O 1f+2 0.000220 0.002092 -0.000363 0.001137 -0.001483 0.002541 27O 1f-2 0.002901 0.002300 -0.004421 0.003045 -0.001102 0.002847 27O 1f+3 -0.007140 0.010132 0.008447 0.013336 -0.004247 0.008043 27O 1f-3 0.003849 -0.007999 -0.003870 -0.011657 0.005414 -0.007553 28O 1s 0.536626 -0.579375 -0.478231 -0.257185 -0.662408 0.492010 28O 2s -0.664701 0.718076 0.592919 0.320368 0.825231 -0.613150 28O 3s 0.718729 -0.775213 -0.638655 -0.358298 -0.923300 0.679510 28O 4s -1.083926 1.110453 0.928173 0.535475 1.381632 -1.005267 28O 5s 0.445878 -0.321334 -0.454382 -0.251076 -0.681199 1.040595 28O 1pz -0.014453 0.024284 0.008856 0.009656 0.022515 -0.014679 28O 1px 0.023473 -0.031018 -0.020392 -0.012262 -0.032839 0.019026 28O 1py -0.000318 0.002761 -0.002408 -0.001125 0.001766 -0.001395 28O 2pz 0.127770 -0.174119 -0.085008 -0.072729 -0.169873 0.083760 28O 2px -0.197371 0.208854 0.154455 0.082176 0.218406 -0.107291 28O 2py 0.004471 -0.025620 0.007021 0.002188 -0.024418 0.008667 28O 3pz 0.126163 -0.139492 0.065474 -0.073361 -0.251202 0.092670 28O 3px -0.056060 0.036766 -0.022452 0.006996 -0.030351 0.204374 28O 3py 0.018912 -0.078090 0.030465 -0.089293 -0.150511 0.137539 28O 1dz2 -0.002129 -0.002320 -0.000250 -0.003970 -0.003105 0.002929 28O 1dxz -0.008217 0.011855 0.003942 0.004860 0.013617 -0.009905 28O 1dyz -0.005571 -0.001054 0.002058 0.000693 -0.003403 0.000608 28O 1dx2y2 0.003745 -0.005613 -0.000743 -0.003007 -0.005421 0.003358 28O 1dxy -0.004455 0.003213 0.002800 0.000040 0.004187 -0.003876 28O 2dz2 0.005966 0.017807 0.001915 0.019853 0.021741 -0.015658 28O 2dxz 0.070078 -0.089136 -0.040409 -0.038042 -0.098245 0.055761 28O 2dyz 0.013495 0.013880 -0.001348 0.000056 0.022661 -0.006885 28O 2dx2y2 -0.041711 0.046277 0.022954 0.019952 0.045796 -0.022245 28O 2dxy 0.015943 -0.018936 -0.009118 -0.001240 -0.025574 0.017772 28O 1f0 -0.004974 0.006674 0.004315 0.002711 0.006053 -0.004136 28O 1f+1 -0.006803 0.009205 0.003973 0.005517 0.010403 -0.006919 28O 1f-1 -0.002385 -0.002070 0.003640 -0.000833 -0.003414 0.003935 28O 1f+2 0.009801 -0.014934 -0.007807 -0.005962 -0.016376 0.010036 28O 1f-2 -0.000421 0.003785 0.000406 0.001264 0.006333 -0.003117 28O 1f+3 0.003762 -0.007838 -0.002589 -0.003105 -0.008350 0.006044 28O 1f-3 -0.003996 0.001852 0.002856 -0.000779 0.001334 -0.000532 29O 1s 0.036214 0.056841 -0.000583 -0.005778 0.009058 -0.001954 29O 2s -0.044921 -0.070342 0.000732 0.007206 -0.011361 0.002442 29O 3s 0.052314 0.069725 -0.001387 -0.008772 0.017743 -0.003166 29O 4s -0.072780 -0.066721 0.002798 0.011456 -0.026282 0.005261 29O 5s -0.012484 -0.012453 0.003430 0.010353 -0.059953 -0.000941 29O 1pz -0.001196 0.001261 0.000545 -0.001616 -0.001921 0.001466 29O 1px 0.001140 -0.003644 0.000021 -0.001425 0.001313 0.000372 29O 1py -0.002471 -0.002565 0.000116 0.001001 -0.002208 0.000010 29O 2pz 0.007845 -0.003797 -0.010090 0.006649 0.010974 -0.012159 29O 2px -0.009917 0.011474 -0.002211 0.007249 -0.011009 -0.003251 29O 2py 0.016072 0.009398 -0.000779 -0.004092 0.013999 -0.000335 29O 3pz 0.013524 -0.017032 -0.004935 0.031033 0.023769 0.006770 29O 3px -0.003202 0.023401 -0.002424 0.009715 0.013090 0.002063 29O 3py 0.041501 -0.021217 -0.000722 -0.026177 0.050764 -0.000744 29O 1dz2 0.000458 -0.000246 0.000289 -0.001549 -0.000440 0.000152 29O 1dxz 0.001547 -0.001151 0.000274 0.002166 0.002653 0.000203 29O 1dyz -0.000594 0.000046 0.001066 0.001917 -0.000407 0.000755 29O 1dx2y2 -0.000893 0.000542 0.000322 0.001599 -0.000440 0.000217 29O 1dxy 0.001382 -0.000418 0.000621 -0.001599 0.002823 0.000452 29O 2dz2 -0.006263 0.000829 0.002037 0.003502 -0.003996 0.002070 29O 2dxz -0.007267 0.003407 -0.002223 -0.003836 -0.009342 -0.001987 29O 2dyz 0.000165 0.000317 0.001842 -0.007516 -0.001328 0.001955 29O 2dx2y2 0.003285 -0.002996 -0.001355 -0.004082 0.002315 -0.001063 29O 2dxy -0.000004 0.001106 -0.000053 0.002226 -0.004177 0.000177 29O 1f0 0.002282 0.001015 -0.000698 -0.000445 0.001741 -0.000394 29O 1f+1 -0.001056 -0.000393 -0.000259 -0.000813 -0.001287 -0.000069 29O 1f-1 0.002209 0.000237 -0.000669 0.000245 0.001916 -0.000488 29O 1f+2 -0.001093 -0.000673 0.000021 0.001144 -0.000390 -0.000025 29O 1f-2 0.001010 0.000389 0.000854 -0.000700 0.000198 0.000525 29O 1f+3 -0.001152 0.000059 -0.000089 -0.000212 -0.001196 0.000041 29O 1f-3 -0.000694 -0.000499 -0.000573 0.001261 -0.000955 -0.000364 30O 1s -0.428793 -0.542116 0.494761 -0.661805 0.261144 -0.495958 30O 2s 0.531120 0.671873 -0.613400 0.824357 -0.325337 0.618047 30O 3s -0.573536 -0.724324 0.660578 -0.920946 0.364284 -0.684389 30O 4s 0.855474 1.030228 -0.959072 1.371103 -0.544912 1.010661 30O 5s -0.325890 -0.301643 0.467178 -0.657565 0.256184 -1.056904 30O 1pz 0.010229 0.017748 -0.008543 0.018427 -0.005662 0.011030 30O 1px -0.018120 -0.026848 0.020792 -0.030683 0.012529 -0.017656 30O 1py -0.009816 -0.018751 0.006559 -0.017490 0.008109 -0.011725 30O 2pz -0.085704 -0.124442 0.075427 -0.134999 0.043119 -0.062553 30O 2px 0.146674 0.174817 -0.153130 0.198637 -0.082270 0.098400 30O 2py 0.083906 0.133693 -0.066638 0.135649 -0.062248 0.066260 30O 3pz -0.098616 -0.082800 -0.041813 -0.148203 0.092791 -0.037278 30O 3px 0.035376 0.002560 0.014862 -0.062380 0.021305 -0.241106 30O 3py 0.060436 0.127769 0.057738 0.250203 -0.067890 0.116031 30O 1dz2 -0.000231 0.000379 0.001391 -0.000035 -0.003398 -0.000632 30O 1dxz 0.004775 0.007552 -0.002853 0.008710 -0.003081 0.006341 30O 1dyz -0.001103 0.006062 0.000297 0.008707 -0.001945 0.004653 30O 1dx2y2 -0.001764 -0.000632 -0.000185 -0.000176 -0.001329 0.000985 30O 1dxy -0.007475 -0.008942 0.004660 -0.010011 0.004761 -0.008517 30O 2dz2 -0.007182 -0.008356 0.003634 -0.005763 0.016822 -0.000440 30O 2dxz -0.042409 -0.056366 0.030581 -0.065754 0.022331 -0.035882 30O 2dyz -0.014344 -0.048934 0.016000 -0.061544 0.019128 -0.029512 30O 2dx2y2 0.016822 0.007700 -0.010352 0.005689 0.002896 -0.002177 30O 2dxy 0.048335 0.063383 -0.034629 0.072085 -0.033756 0.044922 30O 1f0 0.003558 0.009752 -0.001921 0.011282 -0.004342 0.008641 30O 1f+1 0.002677 0.000935 -0.001932 0.001076 0.001322 0.000342 30O 1f-1 0.000208 0.001692 0.001020 0.002871 -0.001049 0.002118 30O 1f+2 -0.003476 -0.004014 0.004967 -0.003821 0.001017 -0.001415 30O 1f-2 -0.007298 -0.013733 0.006386 -0.017523 0.006426 -0.010405 30O 1f+3 0.002620 0.002300 -0.002950 0.002899 -0.002230 0.001039 30O 1f-3 -0.007144 -0.009296 0.007115 -0.009036 0.004723 -0.006063 31O 1s -0.427453 -0.547623 -0.490885 0.659441 -0.255132 -0.501808 31O 2s 0.529460 0.678697 0.608594 -0.821412 0.317850 0.625338 31O 3s -0.571789 -0.731650 -0.655358 0.917675 -0.356094 -0.692594 31O 4s 0.853031 1.040952 0.951491 -1.366347 0.533144 1.023098 31O 5s -0.324048 -0.306750 -0.464915 0.654065 -0.241918 -1.062544 31O 1pz -0.010201 -0.017884 -0.008424 0.018379 -0.005525 -0.011183 31O 1px 0.018068 0.027085 0.020604 -0.030594 0.012323 0.017943 31O 1py 0.009789 0.018849 0.006435 -0.017389 0.007954 0.011886 31O 2pz 0.085563 0.125472 0.074575 -0.134655 0.042503 0.063709 31O 2px -0.146374 -0.176522 -0.151833 0.198094 -0.081374 -0.100323 31O 2py -0.083752 -0.134552 -0.065710 0.135064 -0.061513 -0.067581 31O 3pz 0.098765 0.082618 -0.042204 -0.147938 0.092640 0.038807 31O 3px -0.035694 -0.002443 0.015001 -0.061581 0.017661 0.241574 31O 3py -0.060432 -0.127624 0.058793 0.249655 -0.066971 -0.117893 31O 1dz2 -0.000225 0.000370 -0.001384 0.000022 0.003400 -0.000587 31O 1dxz 0.004770 0.007588 0.002802 -0.008678 0.003016 0.006402 31O 1dyz -0.001105 0.006061 -0.000333 -0.008677 0.001881 0.004708 31O 1dx2y2 -0.001759 -0.000637 0.000195 0.000176 0.001311 0.001003 31O 1dxy -0.007458 -0.008989 -0.004588 0.009959 -0.004675 -0.008618 31O 2dz2 -0.007175 -0.008399 -0.003587 0.005763 -0.016813 -0.000686 31O 2dxz -0.042366 -0.056743 -0.030198 0.065541 -0.022006 -0.036397 31O 2dyz -0.014314 -0.049129 -0.015683 0.061339 -0.018782 -0.029981 31O 2dx2y2 0.016798 0.007830 0.010271 -0.005686 -0.002790 -0.002182 31O 2dxy 0.048245 0.063769 0.034139 -0.071770 0.033322 0.045643 31O 1f0 -0.003545 -0.009787 -0.001854 0.011224 -0.004235 -0.008736 31O 1f+1 -0.002677 -0.000960 -0.001928 0.001084 0.001316 -0.000332 31O 1f-1 -0.000212 -0.001687 0.001021 0.002861 -0.001017 -0.002137 31O 1f+2 0.003469 0.004066 0.004941 -0.003825 0.001008 0.001450 31O 1f-2 0.007278 0.013810 0.006295 -0.017453 0.006299 0.010547 31O 1f+3 -0.002612 -0.002326 -0.002926 0.002891 -0.002219 -0.001076 31O 1f-3 0.007131 0.009371 0.007050 -0.009004 0.004660 0.006160 32O 1s 0.035717 0.057158 0.000019 0.006193 -0.008465 -0.002318 32O 2s -0.044305 -0.070735 -0.000034 -0.007716 0.010623 0.002898 32O 3s 0.051634 0.070087 0.000755 0.008944 -0.016996 -0.003782 32O 4s -0.071855 -0.067231 -0.002235 -0.011201 0.025335 0.006202 32O 5s -0.012771 -0.011061 -0.004309 -0.006772 0.061282 -0.000199 32O 1pz 0.001139 -0.001290 0.000560 -0.001655 -0.001862 -0.001482 32O 1px -0.001155 0.003631 -0.000009 -0.001378 0.001341 -0.000325 32O 1py 0.002462 0.002551 0.000129 0.000905 -0.002225 -0.000108 32O 2pz -0.007142 0.003883 -0.010140 0.007088 0.010288 0.012250 32O 2px 0.010119 -0.011548 -0.001974 0.006692 -0.011376 0.002891 32O 2py -0.016040 -0.009242 -0.001128 -0.003108 0.014235 0.001008 32O 3pz -0.012792 0.016327 -0.005168 0.031384 0.023361 -0.006489 32O 3px 0.003371 -0.023476 -0.002204 0.009440 0.012919 -0.001833 32O 3py -0.041560 0.021620 -0.001398 -0.024689 0.051220 0.001417 32O 1dz2 0.000451 -0.000257 -0.000324 0.001503 0.000440 0.000167 32O 1dxz 0.001542 -0.001144 -0.000263 -0.002222 -0.002663 0.000175 32O 1dyz -0.000615 0.000034 -0.001054 -0.001932 0.000391 0.000761 32O 1dx2y2 -0.000887 0.000539 -0.000347 -0.001552 0.000451 0.000234 32O 1dxy 0.001382 -0.000410 -0.000630 0.001641 -0.002820 0.000411 32O 2dz2 -0.006107 0.000869 -0.001812 -0.003192 0.003884 0.001965 32O 2dxz -0.007339 0.003429 0.002240 0.004114 0.009491 -0.001922 32O 2dyz 0.000211 0.000291 -0.001958 0.007655 0.001371 0.002027 32O 2dx2y2 0.003232 -0.003009 0.001547 0.003804 -0.002351 -0.001216 32O 2dxy -0.000021 0.001021 0.000205 -0.002625 0.004092 0.000119 32O 1f0 -0.002130 -0.001006 -0.000675 -0.000391 0.001616 0.000393 32O 1f+1 0.001171 0.000405 -0.000259 -0.000783 -0.001380 0.000063 32O 1f-1 -0.002253 -0.000245 -0.000697 0.000383 0.001983 0.000534 32O 1f+2 0.001146 0.000687 0.000026 0.001118 -0.000433 0.000005 32O 1f-2 -0.000989 -0.000341 0.000845 -0.000615 0.000219 -0.000516 32O 1f+3 0.001123 -0.000095 -0.000056 -0.000310 -0.001199 -0.000089 32O 1f-3 0.000684 0.000481 -0.000580 0.001242 -0.000958 0.000339 33O 1s 0.535997 -0.577752 0.483386 0.257396 0.655332 0.500097 33O 2s -0.663920 0.716063 -0.599310 -0.320630 -0.816416 -0.623228 33O 3s 0.717860 -0.773096 0.645583 0.358568 0.913557 0.690845 33O 4s -1.082582 1.107701 -0.938326 -0.535908 -1.367416 -1.022495 33O 5s 0.446036 -0.319420 0.458291 0.252034 0.666849 1.048920 33O 1pz 0.014426 -0.024255 0.009031 0.009655 0.022279 0.014935 33O 1px -0.023451 0.030990 -0.020651 -0.012275 -0.032617 -0.019458 33O 1py 0.000334 -0.002827 -0.002380 -0.001105 0.001801 0.001464 33O 2pz -0.127445 0.173865 -0.086313 -0.072689 -0.168492 -0.085796 33O 2px 0.197146 -0.208719 0.156356 0.082229 0.217171 0.110224 33O 2py -0.004623 0.025998 0.006737 0.002039 -0.024684 -0.009241 33O 3pz -0.126044 0.139702 0.064133 -0.072683 -0.249391 -0.095948 33O 3px 0.055884 -0.037203 -0.022112 0.006452 -0.027829 -0.204782 33O 3py -0.019064 0.078417 0.029878 -0.089468 -0.148466 -0.138975 33O 1dz2 -0.002120 -0.002300 0.000262 0.003990 0.003026 0.002938 33O 1dxz -0.008191 0.011836 -0.004034 -0.004854 -0.013458 -0.010074 33O 1dyz -0.005568 -0.001064 -0.002078 -0.000675 0.003425 0.000663 33O 1dx2y2 0.003757 -0.005637 0.000797 0.003004 0.005370 0.003414 33O 1dxy -0.004455 0.003220 -0.002829 -0.000060 -0.004156 -0.003936 33O 2dz2 0.005999 0.017636 -0.001968 -0.019886 -0.021276 -0.015769 33O 2dxz 0.069903 -0.089022 0.041121 0.037995 0.097355 0.056985 33O 2dyz 0.013456 0.013945 0.001317 -0.000163 -0.022720 -0.007236 33O 2dx2y2 -0.041725 0.046349 -0.023422 -0.019914 -0.045498 -0.022816 33O 2dxy 0.015995 -0.019048 0.009307 0.001360 0.025503 0.018170 33O 1f0 0.004969 -0.006689 0.004368 0.002721 0.006031 0.004234 33O 1f+1 0.006777 -0.009154 0.004027 0.005503 0.010242 0.007008 33O 1f-1 0.002377 0.002089 0.003634 -0.000848 -0.003359 -0.003979 33O 1f+2 -0.009788 0.014912 -0.007931 -0.005956 -0.016224 -0.010238 33O 1f-2 0.000434 -0.003811 0.000436 0.001290 0.006323 0.003218 33O 1f+3 -0.003770 0.007840 -0.002663 -0.003098 -0.008272 -0.006144 33O 1f-3 0.004005 -0.001873 0.002892 -0.000761 0.001364 0.000573 34O 1s 0.371834 -0.406299 0.495755 0.645836 -0.229085 -0.490287 34O 2s -0.460568 0.503581 -0.614641 -0.804483 0.285378 0.611001 34O 3s 0.497328 -0.542221 0.661606 0.898299 -0.317945 -0.676582 34O 4s -0.748177 0.750864 -0.959248 -1.329402 0.468989 0.993574 34O 5s 0.323702 -0.157535 0.468434 0.642710 -0.255765 -1.033837 34O 1pz -0.002694 0.001820 -0.005069 -0.003214 0.003040 0.001763 34O 1px 0.018460 -0.029959 0.022725 0.038396 -0.013008 -0.023462 34O 1py -0.001686 0.006805 0.001345 -0.005515 0.003539 0.004427 34O 2pz 0.020977 -0.003723 0.030178 0.010382 -0.015145 -0.008701 34O 2px -0.157015 0.188749 -0.179703 -0.260014 0.084826 0.128987 34O 2py 0.015959 -0.052394 0.005861 0.053760 -0.027856 -0.025974 34O 3pz -0.047450 0.067817 0.026990 -0.129117 0.089924 0.158393 34O 3px -0.079251 0.080205 0.053958 -0.104911 0.031098 -0.119110 34O 3py 0.017619 -0.099947 -0.050059 0.233036 -0.060175 -0.188377 34O 1dz2 -0.001499 0.005834 -0.001052 -0.006993 0.003992 0.004994 34O 1dxz -0.001362 -0.000933 0.000550 0.002492 0.001678 -0.001877 34O 1dyz 0.005128 0.000772 0.003314 -0.000389 -0.001264 -0.002004 34O 1dx2y2 0.005732 -0.007627 0.003941 0.011121 -0.002196 -0.007960 34O 1dxy -0.000865 0.006460 -0.001847 -0.008460 0.004132 0.006691 34O 2dz2 0.023887 -0.041754 0.022074 0.054540 -0.022828 -0.030044 34O 2dxz 0.009751 0.004794 0.004324 -0.010664 -0.008151 0.007468 34O 2dyz -0.016118 -0.004150 -0.007419 0.002585 0.004659 0.006172 34O 2dx2y2 -0.047035 0.055602 -0.041097 -0.081339 0.020578 0.044878 34O 2dxy 0.010622 -0.043658 0.015434 0.057537 -0.026256 -0.036571 34O 1f0 0.000011 0.001235 -0.001758 -0.001675 0.001811 0.000344 34O 1f+1 0.004532 -0.010616 0.005002 0.014581 -0.004323 -0.009864 34O 1f-1 -0.000580 0.002705 -0.000614 -0.004598 0.000875 0.002447 34O 1f+2 -0.000218 -0.002101 -0.000349 0.001129 -0.001447 -0.002567 34O 1f-2 -0.002891 -0.002345 -0.004400 0.003018 -0.001071 -0.002871 34O 1f+3 0.007133 -0.010071 0.008495 0.013264 -0.004108 -0.008137 34O 1f-3 -0.003846 0.008002 -0.003906 -0.011636 0.005295 0.007678 35O 1s -0.602851 -0.372173 -0.506037 0.234750 0.646274 0.498262 35O 2s 0.746761 0.461307 0.627423 -0.292420 -0.805186 -0.620974 35O 3s -0.806104 -0.496162 -0.675568 0.325841 0.900992 0.688033 35O 4s 1.200871 0.680058 0.979291 -0.480072 -1.334956 -1.011017 35O 5s -0.475829 -0.143290 -0.483497 0.261821 0.617415 1.046961 35O 1pz 0.000669 -0.003147 0.004047 0.001695 0.000829 0.001685 35O 1px -0.029799 -0.026070 -0.022631 0.013759 0.036136 0.022312 35O 1py -0.011095 -0.011749 -0.006186 0.003507 0.014932 0.009262 35O 2pz -0.000815 0.030284 -0.015357 -0.016881 -0.023759 -0.011150 35O 2px 0.244765 0.157281 0.175596 -0.088178 -0.243337 -0.122932 35O 2py 0.092983 0.077691 0.057232 -0.027021 -0.111536 -0.052182 35O 3pz 0.074108 0.101506 -0.047141 -0.063482 -0.238790 -0.218466 35O 3px 0.117361 0.042688 -0.044907 0.004064 -0.087305 0.154173 35O 3py 0.052913 0.074184 -0.047007 -0.087422 -0.164434 -0.080713 35O 1dz2 0.008547 0.004211 0.003710 -0.000810 -0.007496 -0.005867 35O 1dxz -0.001859 -0.004179 -0.002238 0.003807 0.005230 0.005650 35O 1dyz 0.005691 -0.002996 0.002315 0.000506 0.003003 0.000325 35O 1dx2y2 -0.005036 -0.004400 -0.001632 0.004419 0.005760 0.004061 35O 1dxy -0.005063 -0.007792 -0.002435 0.002706 0.011302 0.007984 35O 2dz2 -0.056138 -0.030534 -0.028072 0.011780 0.052715 0.031183 35O 2dxz 0.009684 0.026960 0.008199 -0.021122 -0.034869 -0.027890 35O 2dyz -0.013649 0.018047 -0.002868 -0.005808 -0.019699 -0.006130 35O 2dx2y2 0.052988 0.032922 0.028591 -0.027327 -0.049371 -0.026178 35O 2dxy 0.051492 0.053354 0.030332 -0.020800 -0.081523 -0.045304 35O 1f0 -0.002392 -0.002393 -0.000964 0.002844 0.003926 0.002612 35O 1f+1 -0.010045 -0.007156 -0.007315 0.003859 0.010049 0.006786 35O 1f-1 -0.004103 -0.003030 -0.004320 0.001794 0.006052 0.001981 35O 1f+2 0.004625 0.000001 0.003499 -0.000413 -0.001493 0.000097 35O 1f-2 -0.000650 0.004539 -0.001970 -0.002754 -0.006828 -0.005029 35O 1f+3 -0.003777 -0.004258 -0.002872 0.003254 0.005030 0.003688 35O 1f-3 -0.010749 -0.012669 -0.006576 0.005654 0.018751 0.012400 768 769 45.33705 45.95344 0.00000 0.00000 -------- -------- 0Rh 1s -0.424215 -0.437380 0Rh 2s -2.461283 -2.547686 0Rh 3s -4.172778 -4.308265 0Rh 4s 7.298160 7.578909 0Rh 5s -3.983168 -4.248476 0Rh 6s 2.145660 2.408534 0Rh 7s -1.782792 -2.511600 0Rh 8s 0.081345 -0.533887 0Rh 1pz 0.000081 -0.000772 0Rh 1px -0.000530 0.002451 0Rh 1py -0.000125 0.000435 0Rh 2pz -0.000403 0.003580 0Rh 2px 0.002551 -0.011367 0Rh 2py 0.000598 -0.002013 0Rh 3pz 0.002448 -0.017172 0Rh 3px -0.014163 0.054601 0Rh 3py -0.003278 0.009589 0Rh 4pz -0.005642 0.033265 0Rh 4px 0.032425 -0.105977 0Rh 4py 0.007662 -0.018175 0Rh 5pz 0.002144 -0.021354 0Rh 5px -0.029352 0.068709 0Rh 5py -0.010669 0.008758 0Rh 6pz 0.130975 -0.411327 0Rh 6px -0.282113 1.233439 0Rh 6py 0.096642 0.302041 0Rh 1dz2 -0.000972 -0.000058 0Rh 1dxz -0.001120 0.000205 0Rh 1dyz -0.000367 -0.000122 0Rh 1dx2y2 0.001763 -0.000037 0Rh 1dxy 0.001117 0.000340 0Rh 2dz2 0.003485 0.000232 0Rh 2dxz 0.004057 -0.000652 0Rh 2dyz 0.001305 0.000441 0Rh 2dx2y2 -0.006386 0.000042 0Rh 2dxy -0.003934 -0.001187 0Rh 3dz2 -0.008281 -0.000496 0Rh 3dxz -0.009874 0.001326 0Rh 3dyz -0.002961 -0.000932 0Rh 3dx2y2 0.015521 0.000027 0Rh 3dxy 0.009003 0.002542 0Rh 4dz2 0.021878 0.000943 0Rh 4dxz 0.027006 -0.002611 0Rh 4dyz 0.007009 0.001782 0Rh 4dx2y2 -0.041913 0.000275 0Rh 4dxy -0.021321 -0.004525 0Rh 5dz2 -0.102442 -0.003119 0Rh 5dxz -0.132227 0.006099 0Rh 5dyz -0.027488 -0.004314 0Rh 5dx2y2 0.201608 -0.001765 0Rh 5dxy 0.084660 0.008825 0Rh 1f0 -0.003577 0.003853 0Rh 1f+1 0.003244 -0.002842 0Rh 1f-1 0.001572 0.000157 0Rh 1f+2 0.005547 -0.004222 0Rh 1f-2 0.002415 -0.001412 0Rh 1f+3 0.006088 -0.005325 0Rh 1f-3 0.003351 -0.003502 1Rh 1s -0.424606 0.436992 1Rh 2s -2.463555 2.545425 1Rh 3s -4.176628 4.304440 1Rh 4s 7.304899 -7.572186 1Rh 5s -3.986859 4.244723 1Rh 6s 2.147657 -2.406419 1Rh 7s -1.784569 2.509465 1Rh 8s 0.080755 0.533814 1Rh 1pz -0.000078 -0.000773 1Rh 1px 0.000531 0.002447 1Rh 1py 0.000119 0.000435 1Rh 2pz 0.000386 0.003584 1Rh 2px -0.002555 -0.011352 1Rh 2py -0.000571 -0.002017 1Rh 3pz -0.002372 -0.017182 1Rh 3px 0.014179 0.054532 1Rh 3py 0.003152 0.009605 1Rh 4pz 0.005523 0.033246 1Rh 4px -0.032456 -0.105844 1Rh 4py -0.007411 -0.018202 1Rh 5pz -0.002144 -0.021252 1Rh 5px 0.029413 0.068579 1Rh 5py 0.010396 0.008785 1Rh 6pz -0.131431 -0.408552 1Rh 6px 0.279956 1.234805 1Rh 6py -0.094970 0.300732 1Rh 1dz2 -0.000973 0.000051 1Rh 1dxz -0.001121 -0.000203 1Rh 1dyz -0.000368 0.000122 1Rh 1dx2y2 0.001761 0.000044 1Rh 1dxy 0.001108 -0.000336 1Rh 2dz2 0.003485 -0.000207 1Rh 2dxz 0.004058 0.000645 1Rh 2dyz 0.001309 -0.000441 1Rh 2dx2y2 -0.006377 -0.000067 1Rh 2dxy -0.003904 0.001175 1Rh 3dz2 -0.008283 0.000442 1Rh 3dxz -0.009876 -0.001313 1Rh 3dyz -0.002972 0.000935 1Rh 3dx2y2 0.015501 0.000029 1Rh 3dxy 0.008940 -0.002516 1Rh 4dz2 0.021882 -0.000838 1Rh 4dxz 0.027003 0.002595 1Rh 4dyz 0.007047 -0.001793 1Rh 4dx2y2 -0.041870 -0.000395 1Rh 4dxy -0.021197 0.004471 1Rh 5dz2 -0.102454 0.002881 1Rh 5dxz -0.132101 -0.006163 1Rh 5dyz -0.027627 0.004379 1Rh 5dx2y2 0.201463 0.002106 1Rh 5dxy 0.084300 -0.008663 1Rh 1f0 0.003586 0.003834 1Rh 1f+1 -0.003233 -0.002850 1Rh 1f-1 -0.001577 0.000182 1Rh 1f+2 -0.005518 -0.004258 1Rh 1f-2 -0.002381 -0.001434 1Rh 1f+3 -0.006098 -0.005305 1Rh 1f-3 -0.003351 -0.003497 2C 1s -0.000495 -0.001223 2C 2s 0.000564 0.002450 2C 3s 0.076166 -0.007238 2C 4s -0.432587 0.013165 2C 5s 0.087523 -0.137340 2C 1pz 0.006035 0.000127 2C 1px -0.000528 -0.001888 2C 1py 0.004859 -0.000523 2C 2pz -0.180786 0.001768 2C 2px -0.027856 0.011207 2C 2py -0.130636 0.003254 2C 3pz -0.001858 -0.031222 2C 3px -0.077159 0.046836 2C 3py 0.015911 -0.002971 2C 1dz2 -0.005783 0.003237 2C 1dxz -0.001741 -0.003811 2C 1dyz -0.010083 -0.001212 2C 1dx2y2 0.001470 -0.002814 2C 1dxy -0.002570 -0.003434 2C 2dz2 -0.038173 -0.008197 2C 2dxz -0.031011 0.008359 2C 2dyz -0.051026 0.013518 2C 2dx2y2 0.019027 0.016743 2C 2dxy -0.010382 0.010952 2C 1f0 -0.003415 -0.002069 2C 1f+1 -0.002985 0.002776 2C 1f-1 -0.016180 -0.001034 2C 1f+2 0.008388 0.000486 2C 1f-2 -0.007865 0.002942 2C 1f+3 -0.001191 0.002299 2C 1f-3 0.000352 -0.000683 3C 1s -0.000431 -0.000914 3C 2s 0.000440 0.001821 3C 3s 0.075943 -0.002606 3C 4s -0.434328 -0.006443 3C 5s 0.088375 -0.145975 3C 1pz 0.005466 0.000911 3C 1px 0.001404 -0.001542 3C 1py -0.005374 -0.000508 3C 2pz -0.125329 -0.011332 3C 2px -0.064911 0.005743 3C 2py 0.180255 0.009377 3C 3pz 0.052461 -0.032277 3C 3px -0.030886 0.044459 3C 3py 0.026241 0.031172 3C 1dz2 0.002829 0.001576 3C 1dxz -0.002107 -0.000006 3C 1dyz 0.009354 -0.000885 3C 1dx2y2 0.004859 -0.003345 3C 1dxy 0.005077 0.005558 3C 2dz2 0.010568 -0.006146 3C 2dxz -0.019582 -0.010860 3C 2dyz 0.039739 -0.000249 3C 2dx2y2 0.048182 0.014553 3C 2dxy 0.036939 -0.018039 3C 1f0 0.009429 -0.000484 3C 1f+1 0.000502 -0.001093 3C 1f-1 -0.000294 0.001566 3C 1f+2 0.012966 0.003171 3C 1f-2 0.009202 -0.002281 3C 1f+3 -0.007363 0.001869 3C 1f-3 0.004122 0.002577 4C 1s 0.001807 -0.000352 4C 2s -0.004023 0.000681 4C 3s -0.114579 0.003161 4C 4s 0.513094 -0.033618 4C 5s -0.040851 0.068718 4C 1pz 0.017044 -0.002740 4C 1px 0.004366 0.012069 4C 1py 0.011267 0.002434 4C 2pz -0.139618 0.106113 4C 2px -0.056976 -0.346517 4C 2py -0.101925 -0.064809 4C 3pz -0.253242 -0.063859 4C 3px -0.004382 0.097932 4C 3py -0.175807 0.001026 4C 1dz2 -0.004311 0.004389 4C 1dxz -0.005284 -0.008416 4C 1dyz -0.000674 -0.000240 4C 1dx2y2 0.009513 -0.000410 4C 1dxy 0.002925 -0.006599 4C 2dz2 0.036232 0.066000 4C 2dxz -0.037928 -0.098373 4C 2dyz 0.097114 0.003778 4C 2dx2y2 0.044184 -0.015978 4C 2dxy 0.043332 -0.080771 4C 1f0 -0.012848 0.002265 4C 1f+1 -0.025972 -0.004866 4C 1f-1 -0.018230 0.010347 4C 1f+2 0.027532 0.009361 4C 1f-2 -0.006391 -0.015014 4C 1f+3 0.001518 0.007301 4C 1f-3 -0.019953 0.013443 5C 1s 0.001600 -0.000848 5C 2s -0.003595 0.001752 5C 3s -0.110896 -0.001216 5C 4s 0.490273 -0.015141 5C 5s -0.061275 0.028706 5C 1pz 0.010158 -0.003300 5C 1px 0.005636 0.012193 5C 1py -0.017411 0.001751 5C 2pz -0.093177 0.105320 5C 2px -0.049863 -0.361904 5C 2py 0.157941 -0.051053 5C 3pz -0.164332 -0.066230 5C 3px -0.120036 0.068764 5C 3py 0.245126 0.076253 5C 1dz2 -0.004336 0.004092 5C 1dxz -0.006873 -0.004770 5C 1dyz -0.000877 -0.004016 5C 1dx2y2 0.007864 -0.004680 5C 1dxy 0.002775 0.008790 5C 2dz2 -0.056636 0.039124 5C 2dxz -0.006255 -0.042840 5C 2dyz -0.101540 -0.047280 5C 2dx2y2 0.012721 -0.080029 5C 2dxy -0.034969 0.098029 5C 1f0 0.000788 -0.008743 5C 1f+1 -0.015511 0.011647 5C 1f-1 0.003132 -0.008367 5C 1f+2 0.012189 -0.001110 5C 1f-2 0.023675 0.018907 5C 1f+3 -0.026826 0.004211 5C 1f-3 0.023560 -0.007092 6C 1s 0.001640 0.000875 6C 2s -0.003682 -0.001808 6C 3s -0.111517 0.000794 6C 4s 0.494624 0.018159 6C 5s -0.060802 -0.029165 6C 1pz -0.010150 -0.003308 6C 1px -0.005661 0.012171 6C 1py 0.017384 0.001732 6C 2pz 0.091838 0.104404 6C 2px 0.050858 -0.359749 6C 2py -0.156155 -0.050009 6C 3pz 0.163334 -0.067845 6C 3px 0.119835 0.069928 6C 3py -0.244433 0.078221 6C 1dz2 -0.004390 -0.004074 6C 1dxz -0.006971 0.004693 6C 1dyz -0.000967 0.003936 6C 1dx2y2 0.007913 0.004642 6C 1dxy 0.002842 -0.008680 6C 2dz2 -0.056972 -0.039401 6C 2dxz -0.007160 0.042155 6C 2dyz -0.101842 0.046872 6C 2dx2y2 0.013485 0.080330 6C 2dxy -0.034223 -0.097415 6C 1f0 -0.000687 -0.008681 6C 1f+1 0.015583 0.011657 6C 1f-1 -0.003103 -0.008355 6C 1f+2 -0.012191 -0.001140 6C 1f-2 -0.023833 0.018728 6C 1f+3 0.026911 0.004238 6C 1f-3 -0.023687 -0.007198 7C 1s 0.001831 0.000365 7C 2s -0.004074 -0.000708 7C 3s -0.115254 -0.002991 7C 4s 0.517433 0.033191 7C 5s -0.040109 -0.070825 7C 1pz -0.017000 -0.002720 7C 1px -0.004338 0.012056 7C 1py -0.011301 0.002427 7C 2pz 0.138275 0.105637 7C 2px 0.056363 -0.344703 7C 2py 0.101530 -0.064223 7C 3pz 0.252151 -0.063989 7C 3px 0.003515 0.099472 7C 3py 0.174611 0.001501 7C 1dz2 -0.004382 -0.004332 7C 1dxz -0.005325 0.008347 7C 1dyz -0.000619 0.000270 7C 1dx2y2 0.009566 0.000364 7C 1dxy 0.002967 0.006532 7C 2dz2 0.035572 -0.065635 7C 2dxz -0.038633 0.097886 7C 2dyz 0.097272 -0.004025 7C 2dx2y2 0.044888 0.015874 7C 2dxy 0.043638 0.080774 7C 1f0 0.012839 0.002244 7C 1f+1 0.026058 -0.004877 7C 1f-1 0.018237 0.010348 7C 1f+2 -0.027672 0.009311 7C 1f-2 0.006417 -0.015005 7C 1f+3 -0.001520 0.007247 7C 1f-3 0.020140 0.013340 8C 1s -0.000420 0.000940 8C 2s 0.000416 -0.001874 8C 3s 0.075979 0.002799 8C 4s -0.433870 0.006031 8C 5s 0.090035 0.150237 8C 1pz -0.005443 0.000912 8C 1px -0.001382 -0.001560 8C 1py 0.005411 -0.000500 8C 2pz 0.124822 -0.011290 8C 2px 0.064603 0.005874 8C 2py -0.180124 0.009249 8C 3pz -0.052352 -0.032621 8C 3px 0.032149 0.044194 8C 3py -0.025170 0.031790 8C 1dz2 0.002830 -0.001615 8C 1dxz -0.002102 0.000021 8C 1dyz 0.009348 0.000874 8C 1dx2y2 0.004861 0.003382 8C 1dxy 0.005067 -0.005538 8C 2dz2 0.010604 0.006471 8C 2dxz -0.019543 0.010775 8C 2dyz 0.039783 0.000564 8C 2dx2y2 0.047837 -0.014687 8C 2dxy 0.036967 0.017919 8C 1f0 -0.009428 -0.000520 8C 1f+1 -0.000543 -0.001087 8C 1f-1 0.000264 0.001537 8C 1f+2 -0.012961 0.003156 8C 1f-2 -0.009214 -0.002247 8C 1f+3 0.007332 0.001883 8C 1f-3 -0.004139 0.002552 9C 1s -0.000485 0.001259 9C 2s 0.000542 -0.002522 9C 3s 0.076254 0.007426 9C 4s -0.432456 -0.013527 9C 5s 0.089305 0.140286 9C 1pz -0.006081 0.000122 9C 1px 0.000542 -0.001895 9C 1py -0.004816 -0.000535 9C 2pz 0.180623 0.001864 9C 2px 0.027666 0.011274 9C 2py 0.130526 0.003425 9C 3pz 0.000020 -0.031471 9C 3px 0.077811 0.046794 9C 3py -0.013769 -0.003159 9C 1dz2 -0.005738 -0.003227 9C 1dxz -0.001713 0.003753 9C 1dyz -0.010111 0.001192 9C 1dx2y2 0.001493 0.002800 9C 1dxy -0.002561 0.003544 9C 2dz2 -0.037563 0.008059 9C 2dxz -0.030579 -0.007965 9C 2dyz -0.051450 -0.013576 9C 2dx2y2 0.019281 -0.016606 9C 2dxy -0.010642 -0.011649 9C 1f0 0.003269 -0.002067 9C 1f+1 0.002915 0.002761 9C 1f-1 0.016172 -0.001004 9C 1f+2 -0.008576 0.000526 9C 1f-2 0.007772 0.002926 9C 1f+3 0.001232 0.002317 9C 1f-3 -0.000353 -0.000608 10H 1s -0.000333 0.002500 10H 2s -0.006531 -0.024881 10H 3s 0.022963 0.012278 10H 1pz 0.006533 -0.003598 10H 1px 0.000434 -0.000132 10H 1py 0.003573 -0.001387 11H 1s 0.007211 -0.003113 11H 2s 0.002728 0.027058 11H 3s -0.089352 0.022012 11H 1pz 0.003304 0.004145 11H 1px 0.006974 0.002873 11H 1py -0.003572 0.000811 12H 1s 0.004171 -0.004409 12H 2s -0.010035 0.035516 12H 3s -0.048263 0.022950 12H 1pz 0.000294 0.003226 12H 1px 0.004140 0.003565 12H 1py 0.003062 0.004422 13H 1s 0.000375 0.003003 13H 2s -0.009947 -0.027499 13H 3s 0.012418 0.007992 13H 1pz 0.002699 -0.001773 13H 1px 0.000855 -0.000032 13H 1py -0.005690 0.004312 14H 1s 0.003262 -0.004646 14H 2s -0.014788 0.035093 14H 3s -0.032330 0.021299 14H 1pz 0.000263 0.001882 14H 1px 0.003817 0.004467 14H 1py -0.002114 -0.003818 15H 1s 0.007947 -0.002497 15H 2s 0.004341 0.020748 15H 3s -0.095643 0.020989 15H 1pz -0.006788 0.000084 15H 1px 0.002921 0.001655 15H 1py -0.004927 -0.003766 16H 1s 0.012672 0.009085 16H 2s -0.101783 -0.112319 16H 3s 0.023126 0.025302 16H 1pz -0.013174 -0.027652 16H 1px 0.006056 0.011361 16H 1py 0.003215 -0.003576 17H 1s 0.012760 0.009122 17H 2s -0.096186 -0.108693 17H 3s 0.024593 0.027538 17H 1pz 0.006536 0.013320 17H 1px 0.012171 0.025513 17H 1py 0.002597 -0.006775 18H 1s 0.012791 -0.009123 18H 2s -0.095547 0.108384 18H 3s 0.024579 -0.027495 18H 1pz -0.006500 0.013523 18H 1px -0.011928 0.025437 18H 1py -0.002965 -0.006217 19H 1s 0.012675 -0.009093 19H 2s -0.102195 0.112498 19H 3s 0.023100 -0.025228 19H 1pz 0.013252 -0.027560 19H 1px -0.006189 0.011529 19H 1py -0.002800 -0.004146 20H 1s 0.007916 0.002569 20H 2s 0.003948 -0.021400 20H 3s -0.095521 -0.021608 20H 1pz 0.006740 0.000081 20H 1px -0.002998 0.001710 20H 1py 0.004817 -0.003874 21H 1s 0.003334 0.004656 21H 2s -0.014742 -0.035288 21H 3s -0.033495 -0.021894 21H 1pz -0.000268 0.001939 21H 1px -0.003856 0.004504 21H 1py 0.002025 -0.003821 22H 1s 0.000376 -0.002959 22H 2s -0.009873 0.027346 22H 3s 0.013014 -0.008315 22H 1pz -0.002734 -0.001763 22H 1px -0.000905 -0.000069 22H 1py 0.005724 0.004294 23H 1s 0.004304 0.004400 23H 2s -0.009855 -0.035596 23H 3s -0.050117 -0.023523 23H 1pz -0.000131 0.003194 23H 1px -0.004143 0.003515 23H 1py -0.003145 0.004531 24H 1s 0.007128 0.003230 24H 2s 0.002112 -0.027938 24H 3s -0.088459 -0.022595 24H 1pz -0.003173 0.004253 24H 1px -0.006971 0.002990 24H 1py 0.003352 0.000890 25H 1s -0.000348 -0.002445 25H 2s -0.006277 0.024605 25H 3s 0.023399 -0.012596 25H 1pz -0.006568 -0.003530 25H 1px -0.000426 -0.000168 25H 1py -0.003658 -0.001419 26O 1s 0.101898 -0.032200 26O 2s -0.130584 0.041982 26O 3s 0.192050 -0.065633 26O 4s -0.465986 0.062430 26O 5s 0.706581 0.604717 26O 1pz -0.002453 -0.008659 26O 1px -0.005073 0.011733 26O 1py -0.003481 -0.000911 26O 2pz -0.002274 0.007332 26O 2px 0.054559 -0.107499 26O 2py 0.019465 -0.035140 26O 3pz 0.355727 0.263722 26O 3px 0.080759 -0.102682 26O 3py 0.238176 0.115254 26O 1dz2 -0.004282 -0.006405 26O 1dxz -0.004720 0.001076 26O 1dyz -0.009971 -0.010924 26O 1dx2y2 0.001296 -0.000690 26O 1dxy -0.004787 -0.002401 26O 2dz2 0.029549 0.008601 26O 2dxz 0.013246 0.002617 26O 2dyz 0.035639 0.039991 26O 2dx2y2 -0.022063 0.016504 26O 2dxy 0.000380 0.025966 26O 1f0 -0.001159 0.000281 26O 1f+1 0.001252 0.004369 26O 1f-1 0.001702 0.004364 26O 1f+2 -0.002216 -0.001953 26O 1f-2 0.004924 0.001861 26O 1f+3 -0.000615 0.002492 26O 1f-3 -0.003245 0.003627 27O 1s 0.094470 -0.040719 27O 2s -0.121093 0.053044 27O 3s 0.180849 -0.082132 27O 4s -0.449949 0.097675 27O 5s 0.639506 0.577068 27O 1pz -0.001409 -0.007304 27O 1px -0.007038 0.010970 27O 1py 0.003645 0.007289 27O 2pz -0.006511 0.020111 27O 2px 0.069209 -0.115702 27O 2py -0.008881 0.005436 27O 3pz 0.178578 0.161918 27O 3px 0.114064 -0.084432 27O 3py -0.314720 -0.215499 27O 1dz2 0.004059 0.003485 27O 1dxz -0.003488 0.000210 27O 1dyz 0.008381 0.011361 27O 1dx2y2 0.003086 0.003502 27O 1dxy 0.007610 0.002938 27O 2dz2 0.000438 -0.025615 27O 2dxz 0.016856 -0.001338 27O 2dyz -0.031520 -0.037764 27O 2dx2y2 -0.035178 0.009661 27O 2dxy -0.017704 -0.022568 27O 1f0 -0.001035 -0.002945 27O 1f+1 -0.002834 0.002843 27O 1f-1 0.001411 -0.000819 27O 1f+2 -0.002219 -0.001171 27O 1f-2 -0.004837 -0.002785 27O 1f+3 0.001356 0.006021 27O 1f-3 0.002401 -0.002567 28O 1s 0.096386 0.037992 28O 2s -0.123573 -0.049462 28O 3s 0.185782 0.074719 28O 4s -0.462804 -0.076538 28O 5s 0.604586 -0.535707 28O 1pz -0.006524 0.001749 28O 1px 0.005686 0.012888 28O 1py -0.001737 0.006249 28O 2pz 0.044725 0.048328 28O 2px -0.068219 -0.092223 28O 2py 0.000342 -0.005923 28O 3pz 0.318470 -0.157315 28O 3px 0.050329 -0.172003 28O 3py 0.230951 -0.169209 28O 1dz2 -0.006306 0.002818 28O 1dxz 0.000639 0.002539 28O 1dyz -0.010682 0.010724 28O 1dx2y2 0.001884 0.000658 28O 1dxy -0.000863 0.005458 28O 2dz2 0.021473 -0.013475 28O 2dxz 0.025036 0.013064 28O 2dyz 0.036112 -0.039157 28O 2dx2y2 -0.024224 -0.014005 28O 2dxy 0.006692 -0.014364 28O 1f0 0.000479 -0.002749 28O 1f+1 -0.001932 -0.002017 28O 1f-1 0.006032 -0.004024 28O 1f+2 0.000578 0.005890 28O 1f-2 -0.002028 -0.001025 28O 1f+3 0.001695 0.001802 28O 1f-3 0.001467 -0.000565 29O 1s 0.108619 -0.033899 29O 2s -0.139145 0.043953 29O 3s 0.184522 -0.065477 29O 4s -0.349593 0.094858 29O 5s 0.576126 -0.008291 29O 1pz 0.002656 -0.001664 29O 1px -0.006052 0.006187 29O 1py 0.001833 0.004933 29O 2pz -0.019975 -0.007397 29O 2px 0.048291 0.010252 29O 2py -0.011622 -0.034854 29O 3pz 0.055427 -0.007248 29O 3px -0.194192 -0.002888 29O 3py -0.090120 -0.053440 29O 1dz2 0.001402 0.003137 29O 1dxz 0.003177 0.005719 29O 1dyz 0.000718 0.001376 29O 1dx2y2 -0.007072 -0.010690 29O 1dxy -0.001914 -0.003798 29O 2dz2 0.000850 0.002050 29O 2dxz -0.004092 -0.006585 29O 2dyz -0.000162 -0.001603 29O 2dx2y2 0.013990 0.023126 29O 2dxy 0.000654 0.001159 29O 1f0 0.000193 -0.004436 29O 1f+1 -0.000983 0.001481 29O 1f-1 -0.002387 -0.005031 29O 1f+2 -0.000293 0.004068 29O 1f-2 -0.001385 -0.002472 29O 1f+3 0.001618 0.006595 29O 1f-3 -0.000452 0.001737 30O 1s 0.101703 0.030194 30O 2s -0.130335 -0.039343 30O 3s 0.191963 0.060082 30O 4s -0.466808 -0.044539 30O 5s 0.707644 -0.589479 30O 1pz -0.003918 -0.000130 30O 1px 0.003927 0.014006 30O 1py 0.003879 -0.002817 30O 2pz 0.024286 0.041477 30O 2px -0.051439 -0.088342 30O 2py -0.020261 -0.036585 30O 3pz 0.234118 -0.090755 30O 3px 0.134373 -0.217087 30O 3py -0.352655 0.191185 30O 1dz2 0.000558 -0.003715 30O 1dxz -0.001121 0.002048 30O 1dyz 0.011013 -0.009713 30O 1dx2y2 0.005624 -0.000954 30O 1dxy 0.002492 -0.006700 30O 2dz2 0.001224 0.015643 30O 2dxz 0.021161 0.008209 30O 2dyz -0.028879 0.044648 30O 2dx2y2 -0.028173 -0.000102 30O 2dxy -0.026754 0.006668 30O 1f0 -0.004196 -0.000197 30O 1f+1 0.001137 -0.000430 30O 1f-1 -0.002564 0.000837 30O 1f+2 -0.003391 0.004770 30O 1f-2 0.002393 0.004655 30O 1f+3 0.001331 -0.001369 30O 1f-3 -0.001485 0.004244 31O 1s 0.102531 -0.029684 31O 2s -0.131397 0.038678 31O 3s 0.193526 -0.058962 31O 4s -0.469839 0.042073 31O 5s 0.705963 0.587449 31O 1pz 0.003934 -0.000130 31O 1px -0.004002 0.013953 31O 1py -0.003910 -0.002834 31O 2pz -0.024758 0.041129 31O 2px 0.052273 -0.087616 31O 2py 0.020801 -0.036182 31O 3pz -0.235648 -0.092503 31O 3px -0.133151 -0.215977 31O 3py 0.354503 0.193749 31O 1dz2 0.000545 0.003724 31O 1dxz -0.001180 -0.002099 31O 1dyz 0.010973 0.009681 31O 1dx2y2 0.005641 0.000979 31O 1dxy 0.002541 0.006768 31O 2dz2 0.001293 -0.015633 31O 2dxz 0.021554 -0.007867 31O 2dyz -0.028590 -0.044397 31O 2dx2y2 -0.028285 -0.000021 31O 2dxy -0.027134 -0.007090 31O 1f0 0.004227 -0.000168 31O 1f+1 -0.001129 -0.000423 31O 1f-1 0.002573 0.000843 31O 1f+2 0.003375 0.004776 31O 1f-2 -0.002449 0.004606 31O 1f+3 -0.001314 -0.001351 31O 1f-3 0.001453 0.004223 32O 1s 0.108598 0.033908 32O 2s -0.139119 -0.043965 32O 3s 0.184516 0.065491 32O 4s -0.349620 -0.094922 32O 5s 0.575822 0.008612 32O 1pz -0.002624 -0.001743 32O 1px 0.006042 0.006167 32O 1py -0.001813 0.004942 32O 2pz 0.019767 -0.006633 32O 2px -0.048286 0.010464 32O 2py 0.011554 -0.034923 32O 3pz -0.055966 -0.006607 32O 3px 0.193932 -0.002519 32O 3py 0.090206 -0.053397 32O 1dz2 0.001417 -0.003145 32O 1dxz 0.003175 -0.005709 32O 1dyz 0.000593 -0.001273 32O 1dx2y2 -0.007100 0.010687 32O 1dxy -0.001953 0.003834 32O 2dz2 0.000819 -0.002032 32O 2dxz -0.004118 0.006515 32O 2dyz 0.000352 0.000964 32O 2dx2y2 0.014068 -0.023163 32O 2dxy 0.000835 -0.001394 32O 1f0 -0.000281 -0.004142 32O 1f+1 0.000944 0.001683 32O 1f-1 0.002389 -0.005130 32O 1f+2 0.000199 0.004285 32O 1f-2 0.001433 -0.002487 32O 1f+3 -0.001583 0.006503 32O 1f-3 0.000429 0.001750 33O 1s 0.096718 -0.037688 33O 2s -0.124000 0.049065 33O 3s 0.186434 -0.074073 33O 4s -0.464010 0.075084 33O 5s 0.602266 0.536061 33O 1pz 0.006540 0.001770 33O 1px -0.005732 0.012879 33O 1py 0.001715 0.006208 33O 2pz -0.045044 0.048085 33O 2px 0.068753 -0.092030 33O 2py -0.000373 -0.005685 33O 3pz -0.318882 -0.158715 33O 3px -0.049144 -0.171420 33O 3py -0.231458 -0.170501 33O 1dz2 -0.006298 -0.002805 33O 1dxz 0.000620 -0.002577 33O 1dyz -0.010659 -0.010743 33O 1dx2y2 0.001895 -0.000644 33O 1dxy -0.000866 -0.005473 33O 2dz2 0.021472 0.013372 33O 2dxz 0.025242 -0.012837 33O 2dyz 0.035970 0.039209 33O 2dx2y2 -0.024374 0.013938 33O 2dxy 0.006780 0.014402 33O 1f0 -0.000443 -0.002742 33O 1f+1 0.001928 -0.001983 33O 1f-1 -0.006035 -0.004041 33O 1f+2 -0.000598 0.005887 33O 1f-2 0.002052 -0.001017 33O 1f+3 -0.001712 0.001808 33O 1f-3 -0.001450 -0.000568 34O 1s 0.095133 0.040461 34O 2s -0.121942 -0.052708 34O 3s 0.182032 0.081656 34O 4s -0.452190 -0.096979 34O 5s 0.640732 -0.577320 34O 1pz 0.001415 -0.007282 34O 1px 0.007045 0.010987 34O 1py -0.003657 0.007241 34O 2pz 0.006497 0.020017 34O 2px -0.069499 -0.115762 34O 2py 0.009025 0.005696 34O 3pz -0.178806 0.162155 34O 3px -0.114851 -0.083659 34O 3py 0.315299 -0.216312 34O 1dz2 0.004049 -0.003475 34O 1dxz -0.003487 -0.000218 34O 1dyz 0.008377 -0.011357 34O 1dx2y2 0.003094 -0.003535 34O 1dxy 0.007598 -0.002925 34O 2dz2 0.000537 0.025574 34O 2dxz 0.016860 0.001366 34O 2dyz -0.031514 0.037745 34O 2dx2y2 -0.035292 -0.009548 34O 2dxy -0.017587 0.022526 34O 1f0 0.001021 -0.002941 34O 1f+1 0.002851 0.002834 34O 1f-1 -0.001420 -0.000812 34O 1f+2 0.002214 -0.001168 34O 1f-2 0.004834 -0.002779 34O 1f+3 -0.001334 0.006010 34O 1f-3 -0.002424 -0.002549 35O 1s 0.102148 0.031969 35O 2s -0.130905 -0.041682 35O 3s 0.192574 0.065157 35O 4s -0.467108 -0.061675 35O 5s 0.704198 -0.602335 35O 1pz 0.002483 -0.008622 35O 1px 0.005089 0.011716 35O 1py 0.003521 -0.000900 35O 2pz 0.002050 0.007252 35O 2px -0.055105 -0.107076 35O 2py -0.019873 -0.035125 35O 3pz -0.355655 0.263952 35O 3px -0.081928 -0.101627 35O 3py -0.239176 0.116244 35O 1dz2 -0.004306 0.006415 35O 1dxz -0.004697 -0.001109 35O 1dyz -0.009970 0.010915 35O 1dx2y2 0.001335 0.000649 35O 1dxy -0.004752 0.002366 35O 2dz2 0.029739 -0.008708 35O 2dxz 0.013132 -0.002475 35O 2dyz 0.035630 -0.039950 35O 2dx2y2 -0.022282 -0.016255 35O 2dxy 0.000083 -0.025788 35O 1f0 0.001168 0.000261 35O 1f+1 -0.001223 0.004337 35O 1f-1 -0.001680 0.004349 35O 1f+2 0.002221 -0.001946 35O 1f-2 -0.004931 0.001871 35O 1f+3 0.000605 0.002473 35O 1f-3 0.003279 0.003613 ******************************** * MULLIKEN POPULATION ANALYSIS * ******************************** -------------------------------------------- MULLIKEN ATOMIC CHARGES AND SPIN POPULATIONS -------------------------------------------- 0 Rh: 0.624167 0.935492 1 Rh: 0.623846 0.936282 2 C : -0.346719 -0.002006 3 C : -0.370946 -0.003066 4 C : 0.456456 -0.000770 5 C : 0.461117 0.004136 6 C : 0.461099 0.004150 7 C : 0.456659 -0.000758 8 C : -0.370857 -0.003069 9 C : -0.347415 -0.002008 10 H : 0.144915 -0.000131 11 H : 0.158520 -0.000164 12 H : 0.150054 -0.000141 13 H : 0.152512 0.000937 14 H : 0.153741 0.000442 15 H : 0.158796 -0.000215 16 H : 0.382639 0.001367 17 H : 0.383924 0.001532 18 H : 0.383888 0.001515 19 H : 0.382133 0.001373 20 H : 0.158594 -0.000208 21 H : 0.154008 0.000434 22 H : 0.152271 0.000940 23 H : 0.150124 -0.000142 24 H : 0.158190 -0.000164 25 H : 0.145104 -0.000130 26 O : -0.457574 -0.007536 27 O : -0.458488 0.026307 28 O : -0.455887 -0.007720 29 O : -0.674794 0.023875 30 O : -0.462864 0.027211 31 O : -0.462990 0.027119 32 O : -0.673883 0.023980 33 O : -0.455300 -0.007691 34 O : -0.458205 0.026420 35 O : -0.456835 -0.007593 Sum of atomic charges : -0.0000000 Sum of atomic spin populations: 2.0000000 ----------------------------------------------------- MULLIKEN REDUCED ORBITAL CHARGES AND SPIN POPULATIONS ----------------------------------------------------- CHARGE 0 Rhs : 8.446075 s : 8.446075 pz : 6.093009 p : 18.265233 px : 6.085640 py : 6.086584 dz2 : 3.699069 d : 17.657016 dxz : 3.837470 dyz : 2.970108 dx2y2 : 3.627321 dxy : 3.523048 f0 : 0.000929 f : 0.007508 f+1 : 0.000521 f-1 : 0.001756 f+2 : 0.001617 f-2 : 0.001035 f+3 : 0.000997 f-3 : 0.000652 1 Rhs : 8.446208 s : 8.446208 pz : 6.092787 p : 18.265716 px : 6.086192 py : 6.086736 dz2 : 3.699087 d : 17.656719 dxz : 3.837605 dyz : 2.969840 dx2y2 : 3.627424 dxy : 3.522764 f0 : 0.000929 f : 0.007511 f+1 : 0.000521 f-1 : 0.001757 f+2 : 0.001617 f-2 : 0.001036 f+3 : 0.000998 f-3 : 0.000653 2 C s : 3.227103 s : 3.227103 pz : 0.957080 p : 3.066153 px : 1.084797 py : 1.024275 dz2 : 0.008591 d : 0.048952 dxz : 0.013380 dyz : 0.010216 dx2y2 : 0.007631 dxy : 0.009134 f0 : 0.000726 f : 0.004511 f+1 : 0.000379 f-1 : 0.000678 f+2 : 0.000877 f-2 : 0.001066 f+3 : 0.000576 f-3 : 0.000209 3 C s : 3.235643 s : 3.235643 pz : 1.028576 p : 3.079717 px : 1.079434 py : 0.971706 dz2 : 0.005639 d : 0.051074 dxz : 0.013140 dyz : 0.013847 dx2y2 : 0.010801 dxy : 0.007648 f0 : 0.000321 f : 0.004512 f+1 : 0.000208 f-1 : 0.000648 f+2 : 0.001332 f-2 : 0.000853 f+3 : 0.000527 f-3 : 0.000624 4 C s : 3.085245 s : 3.085245 pz : 0.754593 p : 2.172809 px : 0.673776 py : 0.744440 dz2 : 0.052696 d : 0.260824 dxz : 0.063340 dyz : 0.034188 dx2y2 : 0.055431 dxy : 0.055169 f0 : 0.003528 f : 0.024665 f+1 : 0.004865 f-1 : 0.001265 f+2 : 0.003132 f-2 : 0.004526 f+3 : 0.004545 f-3 : 0.002804 5 C s : 3.085589 s : 3.085589 pz : 0.729894 p : 2.165228 px : 0.678032 py : 0.757302 dz2 : 0.032223 d : 0.263352 dxz : 0.067808 dyz : 0.024748 dx2y2 : 0.071131 dxy : 0.067442 f0 : 0.002078 f : 0.024714 f+1 : 0.002949 f-1 : 0.002100 f+2 : 0.004639 f-2 : 0.002479 f+3 : 0.005394 f-3 : 0.005076 6 C s : 3.085763 s : 3.085763 pz : 0.729993 p : 2.165054 px : 0.677905 py : 0.757156 dz2 : 0.032221 d : 0.263368 dxz : 0.067857 dyz : 0.024767 dx2y2 : 0.071092 dxy : 0.067431 f0 : 0.002076 f : 0.024717 f+1 : 0.002952 f-1 : 0.002098 f+2 : 0.004638 f-2 : 0.002480 f+3 : 0.005401 f-3 : 0.005071 7 C s : 3.085413 s : 3.085413 pz : 0.754311 p : 2.172348 px : 0.673534 py : 0.744503 dz2 : 0.052608 d : 0.260910 dxz : 0.063322 dyz : 0.034145 dx2y2 : 0.055634 dxy : 0.055201 f0 : 0.003516 f : 0.024671 f+1 : 0.004867 f-1 : 0.001265 f+2 : 0.003131 f-2 : 0.004525 f+3 : 0.004554 f-3 : 0.002812 8 C s : 3.235908 s : 3.235908 pz : 1.028714 p : 3.079378 px : 1.079389 py : 0.971275 dz2 : 0.005587 d : 0.051058 dxz : 0.013172 dyz : 0.013839 dx2y2 : 0.010713 dxy : 0.007748 f0 : 0.000323 f : 0.004512 f+1 : 0.000203 f-1 : 0.000646 f+2 : 0.001324 f-2 : 0.000868 f+3 : 0.000523 f-3 : 0.000625 9 C s : 3.227744 s : 3.227744 pz : 0.957017 p : 3.066200 px : 1.085039 py : 1.024143 dz2 : 0.008557 d : 0.048959 dxz : 0.013541 dyz : 0.010156 dx2y2 : 0.007855 dxy : 0.008851 f0 : 0.000724 f : 0.004513 f+1 : 0.000374 f-1 : 0.000672 f+2 : 0.000909 f-2 : 0.001051 f+3 : 0.000563 f-3 : 0.000220 10 H s : 0.835444 s : 0.835444 pz : 0.006252 p : 0.019641 px : 0.009052 py : 0.004338 11 H s : 0.821841 s : 0.821841 pz : 0.006927 p : 0.019639 px : 0.007254 py : 0.005458 12 H s : 0.830179 s : 0.830179 pz : 0.004451 p : 0.019767 px : 0.005585 py : 0.009732 13 H s : 0.827836 s : 0.827836 pz : 0.007197 p : 0.019652 px : 0.007438 py : 0.005017 14 H s : 0.826629 s : 0.826629 pz : 0.005922 p : 0.019631 px : 0.009443 py : 0.004266 15 H s : 0.821125 s : 0.821125 pz : 0.006929 p : 0.020079 px : 0.004742 py : 0.008408 16 H s : 0.575578 s : 0.575578 pz : 0.016662 p : 0.041783 px : 0.012010 py : 0.013111 17 H s : 0.574230 s : 0.574230 pz : 0.011882 p : 0.041846 px : 0.015605 py : 0.014359 18 H s : 0.574247 s : 0.574247 pz : 0.012065 p : 0.041865 px : 0.015603 py : 0.014197 19 H s : 0.576063 s : 0.576063 pz : 0.016524 p : 0.041804 px : 0.012005 py : 0.013275 20 H s : 0.821326 s : 0.821326 pz : 0.006936 p : 0.020079 px : 0.004762 py : 0.008381 21 H s : 0.826360 s : 0.826360 pz : 0.005960 p : 0.019632 px : 0.009401 py : 0.004271 22 H s : 0.828078 s : 0.828078 pz : 0.007159 p : 0.019651 px : 0.007460 py : 0.005032 23 H s : 0.830107 s : 0.830107 pz : 0.004462 p : 0.019769 px : 0.005499 py : 0.009807 24 H s : 0.822155 s : 0.822155 pz : 0.006896 p : 0.019655 px : 0.007341 py : 0.005418 25 H s : 0.835270 s : 0.835270 pz : 0.006276 p : 0.019626 px : 0.009033 py : 0.004317 26 O s : 3.846927 s : 3.846927 pz : 1.638102 p : 4.579864 px : 1.409277 py : 1.532485 dz2 : 0.004729 d : 0.029026 dxz : 0.006358 dyz : 0.002377 dx2y2 : 0.007984 dxy : 0.007577 f0 : 0.000187 f : 0.001757 f+1 : 0.000246 f-1 : 0.000120 f+2 : 0.000179 f-2 : 0.000202 f+3 : 0.000423 f-3 : 0.000400 27 O s : 3.857503 s : 3.857503 pz : 1.622417 p : 4.570537 px : 1.338619 py : 1.609502 dz2 : 0.003308 d : 0.028679 dxz : 0.007324 dyz : 0.002116 dx2y2 : 0.008848 dxy : 0.007083 f0 : 0.000206 f : 0.001768 f+1 : 0.000246 f-1 : 0.000083 f+2 : 0.000261 f-2 : 0.000116 f+3 : 0.000431 f-3 : 0.000425 28 O s : 3.855316 s : 3.855316 pz : 1.446752 p : 4.570040 px : 1.518605 py : 1.604683 dz2 : 0.005651 d : 0.028786 dxz : 0.008719 dyz : 0.003653 dx2y2 : 0.005343 dxy : 0.005419 f0 : 0.000226 f : 0.001745 f+1 : 0.000431 f-1 : 0.000105 f+2 : 0.000364 f-2 : 0.000306 f+3 : 0.000138 f-3 : 0.000175 29 O s : 3.802309 s : 3.802309 pz : 1.379501 p : 4.848939 px : 1.729482 py : 1.739956 dz2 : 0.003198 d : 0.022208 dxz : 0.002961 dyz : 0.008297 dx2y2 : 0.002205 dxy : 0.005547 f0 : 0.000236 f : 0.001338 f+1 : 0.000092 f-1 : 0.000372 f+2 : 0.000059 f-2 : 0.000346 f+3 : 0.000107 f-3 : 0.000126 30 O s : 3.846669 s : 3.846669 pz : 1.511847 p : 4.585931 px : 1.572398 py : 1.501686 dz2 : 0.004950 d : 0.028523 dxz : 0.006610 dyz : 0.003644 dx2y2 : 0.006069 dxy : 0.007251 f0 : 0.000144 f : 0.001741 f+1 : 0.000265 f-1 : 0.000227 f+2 : 0.000252 f-2 : 0.000347 f+3 : 0.000247 f-3 : 0.000258 31 O s : 3.846601 s : 3.846601 pz : 1.511929 p : 4.586128 px : 1.572311 py : 1.501888 dz2 : 0.004952 d : 0.028521 dxz : 0.006612 dyz : 0.003643 dx2y2 : 0.006068 dxy : 0.007247 f0 : 0.000144 f : 0.001741 f+1 : 0.000265 f-1 : 0.000227 f+2 : 0.000252 f-2 : 0.000347 f+3 : 0.000247 f-3 : 0.000258 32 O s : 3.802295 s : 3.802295 pz : 1.379054 p : 4.848060 px : 1.728154 py : 1.740852 dz2 : 0.002791 d : 0.022193 dxz : 0.003167 dyz : 0.008546 dx2y2 : 0.002268 dxy : 0.005422 f0 : 0.000206 f : 0.001335 f+1 : 0.000103 f-1 : 0.000392 f+2 : 0.000070 f-2 : 0.000343 f+3 : 0.000096 f-3 : 0.000125 33 O s : 3.855225 s : 3.855225 pz : 1.446780 p : 4.569543 px : 1.518063 py : 1.604701 dz2 : 0.005645 d : 0.028786 dxz : 0.008719 dyz : 0.003646 dx2y2 : 0.005352 dxy : 0.005424 f0 : 0.000226 f : 0.001745 f+1 : 0.000431 f-1 : 0.000105 f+2 : 0.000364 f-2 : 0.000305 f+3 : 0.000139 f-3 : 0.000176 34 O s : 3.857564 s : 3.857564 pz : 1.622271 p : 4.570189 px : 1.338457 py : 1.609461 dz2 : 0.003309 d : 0.028684 dxz : 0.007327 dyz : 0.002116 dx2y2 : 0.008848 dxy : 0.007084 f0 : 0.000206 f : 0.001768 f+1 : 0.000246 f-1 : 0.000083 f+2 : 0.000261 f-2 : 0.000116 f+3 : 0.000432 f-3 : 0.000425 35 O s : 3.846714 s : 3.846714 pz : 1.637471 p : 4.579331 px : 1.409393 py : 1.532467 dz2 : 0.004729 d : 0.029032 dxz : 0.006358 dyz : 0.002382 dx2y2 : 0.007985 dxy : 0.007579 f0 : 0.000187 f : 0.001757 f+1 : 0.000246 f-1 : 0.000120 f+2 : 0.000179 f-2 : 0.000202 f+3 : 0.000423 f-3 : 0.000400 SPIN 0 Rhs : 0.002513 s : 0.002513 pz : -0.000798 p : -0.005350 px : -0.007993 py : 0.003442 dz2 : 0.060807 d : 0.938262 dxz : 0.123088 dyz : 0.079418 dx2y2 : 0.324692 dxy : 0.350257 f0 : 0.000001 f : 0.000067 f+1 : -0.000005 f-1 : 0.000035 f+2 : 0.000010 f-2 : 0.000002 f+3 : 0.000007 f-3 : 0.000016 1 Rhs : 0.002524 s : 0.002524 pz : -0.000790 p : -0.005373 px : -0.008014 py : 0.003431 dz2 : 0.060869 d : 0.939064 dxz : 0.123009 dyz : 0.079668 dx2y2 : 0.324722 dxy : 0.350797 f0 : 0.000001 f : 0.000067 f+1 : -0.000005 f-1 : 0.000035 f+2 : 0.000010 f-2 : 0.000002 f+3 : 0.000007 f-3 : 0.000016 2 C s : -0.000393 s : -0.000393 pz : -0.000979 p : -0.001605 px : -0.000214 py : -0.000412 dz2 : -0.000015 d : -0.000004 dxz : 0.000021 dyz : -0.000007 dx2y2 : -0.000014 dxy : 0.000010 f0 : -0.000000 f : -0.000003 f+1 : -0.000001 f-1 : -0.000001 f+2 : -0.000001 f-2 : 0.000001 f+3 : 0.000000 f-3 : -0.000000 3 C s : -0.000858 s : -0.000858 pz : -0.000610 p : -0.002712 px : -0.000593 py : -0.001509 dz2 : 0.000009 d : 0.000485 dxz : 0.000183 dyz : 0.000061 dx2y2 : 0.000026 dxy : 0.000205 f0 : -0.000000 f : 0.000019 f+1 : 0.000001 f-1 : -0.000001 f+2 : 0.000002 f-2 : 0.000003 f+3 : 0.000005 f-3 : 0.000010 4 C s : 0.001039 s : 0.001039 pz : -0.000381 p : -0.001448 px : 0.000188 py : -0.001255 dz2 : -0.000156 d : -0.000338 dxz : 0.000037 dyz : -0.000169 dx2y2 : -0.000132 dxy : 0.000082 f0 : -0.000009 f : -0.000024 f+1 : -0.000008 f-1 : 0.000002 f+2 : -0.000005 f-2 : -0.000000 f+3 : -0.000005 f-3 : 0.000002 5 C s : 0.002575 s : 0.002575 pz : -0.002423 p : 0.000730 px : 0.005802 py : -0.002649 dz2 : 0.000037 d : 0.000525 dxz : -0.000085 dyz : 0.000018 dx2y2 : -0.000120 dxy : 0.000675 f0 : 0.000010 f : 0.000306 f+1 : 0.000009 f-1 : 0.000027 f+2 : 0.000081 f-2 : 0.000029 f+3 : 0.000065 f-3 : 0.000086 6 C s : 0.002571 s : 0.002571 pz : -0.002416 p : 0.000744 px : 0.005805 py : -0.002645 dz2 : 0.000038 d : 0.000528 dxz : -0.000084 dyz : 0.000017 dx2y2 : -0.000121 dxy : 0.000680 f0 : 0.000010 f : 0.000307 f+1 : 0.000009 f-1 : 0.000027 f+2 : 0.000081 f-2 : 0.000029 f+3 : 0.000065 f-3 : 0.000086 7 C s : 0.001037 s : 0.001037 pz : -0.000379 p : -0.001435 px : 0.000190 py : -0.001246 dz2 : -0.000155 d : -0.000337 dxz : 0.000038 dyz : -0.000169 dx2y2 : -0.000133 dxy : 0.000083 f0 : -0.000009 f : -0.000024 f+1 : -0.000008 f-1 : 0.000002 f+2 : -0.000005 f-2 : -0.000000 f+3 : -0.000005 f-3 : 0.000002 8 C s : -0.000858 s : -0.000858 pz : -0.000610 p : -0.002714 px : -0.000594 py : -0.001510 dz2 : 0.000008 d : 0.000484 dxz : 0.000182 dyz : 0.000062 dx2y2 : 0.000025 dxy : 0.000206 f0 : -0.000000 f : 0.000019 f+1 : 0.000001 f-1 : -0.000001 f+2 : 0.000002 f-2 : 0.000003 f+3 : 0.000005 f-3 : 0.000010 9 C s : -0.000393 s : -0.000393 pz : -0.000973 p : -0.001607 px : -0.000215 py : -0.000419 dz2 : -0.000015 d : -0.000004 dxz : 0.000022 dyz : -0.000006 dx2y2 : -0.000014 dxy : 0.000010 f0 : -0.000000 f : -0.000003 f+1 : -0.000001 f-1 : -0.000001 f+2 : -0.000001 f-2 : 0.000001 f+3 : 0.000000 f-3 : -0.000000 10 H s : -0.000127 s : -0.000127 pz : -0.000001 p : -0.000004 px : -0.000002 py : -0.000001 11 H s : -0.000158 s : -0.000158 pz : -0.000002 p : -0.000006 px : 0.000000 py : -0.000004 12 H s : -0.000135 s : -0.000135 pz : -0.000005 p : -0.000005 px : 0.000000 py : -0.000001 13 H s : 0.000934 s : 0.000934 pz : -0.000003 p : 0.000004 px : 0.000007 py : -0.000000 14 H s : 0.000447 s : 0.000447 pz : -0.000002 p : -0.000005 px : -0.000002 py : -0.000000 15 H s : -0.000203 s : -0.000203 pz : -0.000006 p : -0.000011 px : -0.000003 py : -0.000002 16 H s : 0.001198 s : 0.001198 pz : 0.000024 p : 0.000169 px : 0.000132 py : 0.000013 17 H s : 0.001362 s : 0.001362 pz : 0.000019 p : 0.000170 px : 0.000157 py : -0.000006 18 H s : 0.001345 s : 0.001345 pz : 0.000018 p : 0.000170 px : 0.000157 py : -0.000004 19 H s : 0.001205 s : 0.001205 pz : 0.000025 p : 0.000168 px : 0.000132 py : 0.000011 20 H s : -0.000197 s : -0.000197 pz : -0.000006 p : -0.000011 px : -0.000003 py : -0.000002 21 H s : 0.000439 s : 0.000439 pz : -0.000002 p : -0.000005 px : -0.000002 py : -0.000000 22 H s : 0.000936 s : 0.000936 pz : -0.000003 p : 0.000004 px : 0.000007 py : -0.000001 23 H s : -0.000137 s : -0.000137 pz : -0.000005 p : -0.000005 px : 0.000000 py : -0.000001 24 H s : -0.000157 s : -0.000157 pz : -0.000002 p : -0.000006 px : 0.000000 py : -0.000005 25 H s : -0.000127 s : -0.000127 pz : -0.000001 p : -0.000004 px : -0.000002 py : -0.000001 26 O s : 0.000056 s : 0.000056 pz : -0.005625 p : -0.007573 px : -0.000370 py : -0.001578 dz2 : -0.000020 d : -0.000020 dxz : -0.000023 dyz : 0.000052 dx2y2 : 0.000006 dxy : -0.000035 f0 : 0.000000 f : 0.000002 f+1 : 0.000000 f-1 : 0.000002 f+2 : 0.000001 f-2 : -0.000001 f+3 : -0.000001 f-3 : -0.000000 27 O s : 0.001815 s : 0.001815 pz : 0.007727 p : 0.023715 px : 0.003289 py : 0.012699 dz2 : 0.000062 d : 0.000764 dxz : 0.000064 dyz : 0.000102 dx2y2 : 0.000208 dxy : 0.000326 f0 : 0.000000 f : 0.000015 f+1 : 0.000001 f-1 : 0.000001 f+2 : 0.000007 f-2 : 0.000002 f+3 : 0.000001 f-3 : 0.000003 28 O s : 0.000271 s : 0.000271 pz : -0.005402 p : -0.007979 px : -0.000747 py : -0.001830 dz2 : -0.000028 d : -0.000013 dxz : -0.000007 dyz : 0.000045 dx2y2 : 0.000007 dxy : -0.000031 f0 : -0.000000 f : 0.000002 f+1 : 0.000001 f-1 : 0.000001 f+2 : 0.000001 f-2 : -0.000000 f+3 : -0.000000 f-3 : 0.000000 29 O s : 0.000087 s : 0.000087 pz : 0.002588 p : 0.023222 px : 0.016559 py : 0.004075 dz2 : 0.000006 d : 0.000562 dxz : 0.000130 dyz : 0.000010 dx2y2 : 0.000335 dxy : 0.000081 f0 : 0.000000 f : 0.000004 f+1 : 0.000000 f-1 : -0.000003 f+2 : 0.000001 f-2 : 0.000000 f+3 : 0.000001 f-3 : 0.000004 30 O s : 0.001615 s : 0.001615 pz : 0.001230 p : 0.024879 px : 0.016449 py : 0.007200 dz2 : -0.000060 d : 0.000704 dxz : 0.000110 dyz : 0.000273 dx2y2 : 0.000230 dxy : 0.000151 f0 : 0.000002 f : 0.000013 f+1 : -0.000002 f-1 : 0.000000 f+2 : 0.000002 f-2 : 0.000005 f+3 : 0.000004 f-3 : 0.000000 31 O s : 0.001618 s : 0.001618 pz : 0.001216 p : 0.024787 px : 0.016417 py : 0.007153 dz2 : -0.000060 d : 0.000702 dxz : 0.000110 dyz : 0.000272 dx2y2 : 0.000230 dxy : 0.000150 f0 : 0.000002 f : 0.000013 f+1 : -0.000002 f-1 : 0.000000 f+2 : 0.000002 f-2 : 0.000005 f+3 : 0.000004 f-3 : 0.000000 32 O s : 0.000087 s : 0.000087 pz : 0.002627 p : 0.023328 px : 0.016552 py : 0.004149 dz2 : 0.000008 d : 0.000560 dxz : 0.000125 dyz : 0.000009 dx2y2 : 0.000338 dxy : 0.000080 f0 : 0.000001 f : 0.000004 f+1 : 0.000000 f-1 : -0.000003 f+2 : 0.000001 f-2 : 0.000000 f+3 : 0.000001 f-3 : 0.000004 33 O s : 0.000277 s : 0.000277 pz : -0.005387 p : -0.007957 px : -0.000746 py : -0.001824 dz2 : -0.000028 d : -0.000013 dxz : -0.000007 dyz : 0.000045 dx2y2 : 0.000007 dxy : -0.000031 f0 : -0.000000 f : 0.000002 f+1 : 0.000001 f-1 : 0.000001 f+2 : 0.000001 f-2 : -0.000000 f+3 : -0.000000 f-3 : 0.000000 34 O s : 0.001820 s : 0.001820 pz : 0.007767 p : 0.023820 px : 0.003291 py : 0.012762 dz2 : 0.000063 d : 0.000765 dxz : 0.000065 dyz : 0.000102 dx2y2 : 0.000208 dxy : 0.000327 f0 : 0.000000 f : 0.000015 f+1 : 0.000001 f-1 : 0.000001 f+2 : 0.000007 f-2 : 0.000002 f+3 : 0.000001 f-3 : 0.000003 35 O s : 0.000055 s : 0.000055 pz : -0.005660 p : -0.007630 px : -0.000368 py : -0.001603 dz2 : -0.000020 d : -0.000020 dxz : -0.000023 dyz : 0.000052 dx2y2 : 0.000006 dxy : -0.000035 f0 : 0.000000 f : 0.000002 f+1 : 0.000000 f-1 : 0.000002 f+2 : 0.000001 f-2 : -0.000001 f+3 : -0.000001 f-3 : -0.000000 ******************************* * LOEWDIN POPULATION ANALYSIS * ******************************* ------------------------------------------- LOEWDIN ATOMIC CHARGES AND SPIN POPULATIONS ------------------------------------------- 0 Rh: 0.561880 0.915916 1 Rh: 0.562154 0.916711 2 C : -0.253917 -0.001500 3 C : -0.256371 -0.000267 4 C : -0.537348 -0.003655 5 C : -0.540771 0.003959 6 C : -0.540693 0.003961 7 C : -0.537317 -0.003655 8 C : -0.256341 -0.000267 9 C : -0.253955 -0.001503 10 H : 0.134493 -0.000098 11 H : 0.146175 -0.000127 12 H : 0.141831 -0.000112 13 H : 0.135011 0.000739 14 H : 0.140251 0.000360 15 H : 0.146862 -0.000151 16 H : 0.188595 0.001766 17 H : 0.189318 0.002131 18 H : 0.189328 0.002116 19 H : 0.188511 0.001767 20 H : 0.146786 -0.000147 21 H : 0.140349 0.000353 22 H : 0.134951 0.000742 23 H : 0.142018 -0.000113 24 H : 0.145963 -0.000126 25 H : 0.134427 -0.000097 26 O : 0.013678 -0.005491 27 O : 0.013937 0.029614 28 O : 0.013812 -0.005794 29 O : -0.247163 0.031873 30 O : 0.009256 0.030399 31 O : 0.009171 0.030310 32 O : -0.246900 0.031969 33 O : 0.014020 -0.005769 34 O : 0.014058 0.029722 35 O : 0.013942 -0.005538 ---------------------------------------------------- LOEWDIN REDUCED ORBITAL CHARGES AND SPIN POPULATIONS ---------------------------------------------------- CHARGE 0 Rhs : 8.217067 s : 8.217067 pz : 6.158548 p : 18.469728 px : 6.150715 py : 6.160465 dz2 : 3.706903 d : 17.741629 dxz : 3.840177 dyz : 3.017983 dx2y2 : 3.647477 dxy : 3.529089 f0 : 0.001181 f : 0.009697 f+1 : 0.000656 f-1 : 0.002251 f+2 : 0.002130 f-2 : 0.001314 f+3 : 0.001347 f-3 : 0.000818 1 Rhs : 8.217065 s : 8.217065 pz : 6.158529 p : 18.469791 px : 6.150765 py : 6.160497 dz2 : 3.706918 d : 17.741289 dxz : 3.840259 dyz : 3.017751 dx2y2 : 3.647568 dxy : 3.528793 f0 : 0.001180 f : 0.009700 f+1 : 0.000657 f-1 : 0.002252 f+2 : 0.002130 f-2 : 0.001315 f+3 : 0.001348 f-3 : 0.000818 2 C s : 2.841166 s : 2.841166 pz : 1.034899 p : 3.164418 px : 1.073834 py : 1.055684 dz2 : 0.040647 d : 0.224231 dxz : 0.062570 dyz : 0.052476 dx2y2 : 0.032215 dxy : 0.036323 f0 : 0.005155 f : 0.024103 f+1 : 0.002188 f-1 : 0.004715 f+2 : 0.003462 f-2 : 0.004008 f+3 : 0.002728 f-3 : 0.001849 3 C s : 2.841100 s : 2.841100 pz : 1.058336 p : 3.165176 px : 1.070732 py : 1.036109 dz2 : 0.017710 d : 0.225915 dxz : 0.054228 dyz : 0.066219 dx2y2 : 0.050991 dxy : 0.036768 f0 : 0.003394 f : 0.024179 f+1 : 0.001586 f-1 : 0.004276 f+2 : 0.003751 f-2 : 0.002896 f+3 : 0.003930 f-3 : 0.004347 4 C s : 2.769663 s : 2.769663 pz : 0.930587 p : 2.659918 px : 0.915121 py : 0.814210 dz2 : 0.182189 d : 0.955706 dxz : 0.249341 dyz : 0.117263 dx2y2 : 0.209175 dxy : 0.197739 f0 : 0.022919 f : 0.152061 f+1 : 0.030483 f-1 : 0.008188 f+2 : 0.018745 f-2 : 0.027562 f+3 : 0.026661 f-3 : 0.017504 5 C s : 2.769685 s : 2.769685 pz : 0.808889 p : 2.658892 px : 0.933580 py : 0.916423 dz2 : 0.121347 d : 0.959687 dxz : 0.225262 dyz : 0.099192 dx2y2 : 0.263297 dxy : 0.250588 f0 : 0.013984 f : 0.152506 f+1 : 0.018228 f-1 : 0.010942 f+2 : 0.025478 f-2 : 0.017810 f+3 : 0.034221 f-3 : 0.031843 6 C s : 2.769685 s : 2.769685 pz : 0.808851 p : 2.658837 px : 0.933567 py : 0.916419 dz2 : 0.121382 d : 0.959669 dxz : 0.225281 dyz : 0.099181 dx2y2 : 0.263268 dxy : 0.250557 f0 : 0.013983 f : 0.152502 f+1 : 0.018232 f-1 : 0.010940 f+2 : 0.025479 f-2 : 0.017810 f+3 : 0.034235 f-3 : 0.031823 7 C s : 2.769645 s : 2.769645 pz : 0.929976 p : 2.659918 px : 0.915070 py : 0.814872 dz2 : 0.181912 d : 0.955701 dxz : 0.249043 dyz : 0.117172 dx2y2 : 0.209619 dxy : 0.197956 f0 : 0.022853 f : 0.152052 f+1 : 0.030460 f-1 : 0.008183 f+2 : 0.018717 f-2 : 0.027564 f+3 : 0.026731 f-3 : 0.017545 8 C s : 2.841112 s : 2.841112 pz : 1.058357 p : 3.165138 px : 1.070720 py : 1.036061 dz2 : 0.017523 d : 0.225910 dxz : 0.054444 dyz : 0.066215 dx2y2 : 0.050562 dxy : 0.037167 f0 : 0.003408 f : 0.024180 f+1 : 0.001568 f-1 : 0.004281 f+2 : 0.003733 f-2 : 0.002913 f+3 : 0.003916 f-3 : 0.004361 9 C s : 2.841150 s : 2.841150 pz : 1.035010 p : 3.164472 px : 1.073874 py : 1.055588 dz2 : 0.040354 d : 0.224227 dxz : 0.063159 dyz : 0.052244 dx2y2 : 0.033201 dxy : 0.035269 f0 : 0.005160 f : 0.024106 f+1 : 0.002141 f-1 : 0.004720 f+2 : 0.003476 f-2 : 0.004003 f+3 : 0.002710 f-3 : 0.001896 10 H s : 0.805090 s : 0.805090 pz : 0.017582 p : 0.060417 px : 0.030228 py : 0.012607 11 H s : 0.793182 s : 0.793182 pz : 0.019706 p : 0.060643 px : 0.022604 py : 0.018333 12 H s : 0.797434 s : 0.797434 pz : 0.013687 p : 0.060735 px : 0.016990 py : 0.030058 13 H s : 0.804599 s : 0.804599 pz : 0.022098 p : 0.060390 px : 0.024220 py : 0.014072 14 H s : 0.799177 s : 0.799177 pz : 0.017485 p : 0.060572 px : 0.030168 py : 0.012918 15 H s : 0.792396 s : 0.792396 pz : 0.023444 p : 0.060742 px : 0.013581 py : 0.023717 16 H s : 0.656682 s : 0.656682 pz : 0.071478 p : 0.154723 px : 0.036482 py : 0.046763 17 H s : 0.655767 s : 0.655767 pz : 0.042014 p : 0.154915 px : 0.058202 py : 0.054699 18 H s : 0.655734 s : 0.655734 pz : 0.043045 p : 0.154938 px : 0.058278 py : 0.053614 19 H s : 0.656788 s : 0.656788 pz : 0.070372 p : 0.154702 px : 0.036508 py : 0.047822 20 H s : 0.792470 s : 0.792470 pz : 0.023468 p : 0.060744 px : 0.013637 py : 0.023639 21 H s : 0.799079 s : 0.799079 pz : 0.017611 p : 0.060572 px : 0.030018 py : 0.012943 22 H s : 0.804668 s : 0.804668 pz : 0.021949 p : 0.060381 px : 0.024307 py : 0.014126 23 H s : 0.797253 s : 0.797253 pz : 0.013748 p : 0.060729 px : 0.016742 py : 0.030239 24 H s : 0.793386 s : 0.793386 pz : 0.019600 p : 0.060651 px : 0.022918 py : 0.018133 25 H s : 0.805136 s : 0.805136 pz : 0.017711 p : 0.060436 px : 0.030176 py : 0.012549 26 O s : 3.395148 s : 3.395148 pz : 1.540347 p : 4.510517 px : 1.495815 py : 1.474355 dz2 : 0.012974 d : 0.075365 dxz : 0.016696 dyz : 0.007380 dx2y2 : 0.019147 dxy : 0.019168 f0 : 0.000713 f : 0.005292 f+1 : 0.000802 f-1 : 0.000277 f+2 : 0.000511 f-2 : 0.000630 f+3 : 0.001052 f-3 : 0.001307 27 O s : 3.396747 s : 3.396747 pz : 1.523716 p : 4.509639 px : 1.464605 py : 1.521318 dz2 : 0.009781 d : 0.074328 dxz : 0.015012 dyz : 0.005195 dx2y2 : 0.024784 dxy : 0.019556 f0 : 0.000464 f : 0.005349 f+1 : 0.000828 f-1 : 0.000267 f+2 : 0.000774 f-2 : 0.000209 f+3 : 0.001342 f-3 : 0.001465 28 O s : 3.394579 s : 3.394579 pz : 1.451099 p : 4.511412 px : 1.549115 py : 1.511199 dz2 : 0.015991 d : 0.074913 dxz : 0.025229 dyz : 0.010273 dx2y2 : 0.013437 dxy : 0.009984 f0 : 0.000628 f : 0.005284 f+1 : 0.001393 f-1 : 0.000203 f+2 : 0.001213 f-2 : 0.000849 f+3 : 0.000547 f-3 : 0.000450 29 O s : 3.449048 s : 3.449048 pz : 1.367677 p : 4.761423 px : 1.673474 py : 1.720272 dz2 : 0.006583 d : 0.034323 dxz : 0.006167 dyz : 0.012060 dx2y2 : 0.002995 dxy : 0.006519 f0 : 0.000393 f : 0.002369 f+1 : 0.000100 f-1 : 0.000718 f+2 : 0.000139 f-2 : 0.000691 f+3 : 0.000138 f-3 : 0.000190 30 O s : 3.396042 s : 3.396042 pz : 1.474169 p : 4.514890 px : 1.567823 py : 1.472898 dz2 : 0.010385 d : 0.074477 dxz : 0.015350 dyz : 0.013786 dx2y2 : 0.016887 dxy : 0.018070 f0 : 0.000472 f : 0.005334 f+1 : 0.000629 f-1 : 0.000424 f+2 : 0.000785 f-2 : 0.001206 f+3 : 0.000910 f-3 : 0.000909 31 O s : 3.396036 s : 3.396036 pz : 1.474246 p : 4.514986 px : 1.567789 py : 1.472951 dz2 : 0.010384 d : 0.074473 dxz : 0.015353 dyz : 0.013786 dx2y2 : 0.016886 dxy : 0.018064 f0 : 0.000472 f : 0.005334 f+1 : 0.000629 f-1 : 0.000424 f+2 : 0.000786 f-2 : 0.001206 f+3 : 0.000909 f-3 : 0.000909 32 O s : 3.449051 s : 3.449051 pz : 1.367239 p : 4.761143 px : 1.672523 py : 1.721381 dz2 : 0.005967 d : 0.034338 dxz : 0.006508 dyz : 0.012481 dx2y2 : 0.003095 dxy : 0.006288 f0 : 0.000339 f : 0.002368 f+1 : 0.000119 f-1 : 0.000746 f+2 : 0.000158 f-2 : 0.000694 f+3 : 0.000120 f-3 : 0.000192 33 O s : 3.394581 s : 3.394581 pz : 1.451026 p : 4.511206 px : 1.548947 py : 1.511233 dz2 : 0.015961 d : 0.074909 dxz : 0.025217 dyz : 0.010267 dx2y2 : 0.013459 dxy : 0.010004 f0 : 0.000627 f : 0.005284 f+1 : 0.001391 f-1 : 0.000203 f+2 : 0.001213 f-2 : 0.000850 f+3 : 0.000549 f-3 : 0.000451 34 O s : 3.396759 s : 3.396759 pz : 1.523623 p : 4.509506 px : 1.464590 py : 1.521292 dz2 : 0.009780 d : 0.074329 dxz : 0.015012 dyz : 0.005197 dx2y2 : 0.024783 dxy : 0.019556 f0 : 0.000464 f : 0.005349 f+1 : 0.000828 f-1 : 0.000267 f+2 : 0.000774 f-2 : 0.000209 f+3 : 0.001342 f-3 : 0.001465 35 O s : 3.395133 s : 3.395133 pz : 1.540041 p : 4.510255 px : 1.495889 py : 1.474325 dz2 : 0.012974 d : 0.075377 dxz : 0.016679 dyz : 0.007391 dx2y2 : 0.019145 dxy : 0.019188 f0 : 0.000713 f : 0.005293 f+1 : 0.000801 f-1 : 0.000277 f+2 : 0.000510 f-2 : 0.000631 f+3 : 0.001053 f-3 : 0.001308 SPIN 0 Rhs : -0.001781 s : -0.001781 pz : 0.000000 p : -0.001575 px : -0.003273 py : 0.001697 dz2 : 0.059169 d : 0.919183 dxz : 0.120381 dyz : 0.076102 dx2y2 : 0.317926 dxy : 0.345605 f0 : -0.000000 f : 0.000089 f+1 : -0.000004 f-1 : 0.000032 f+2 : 0.000013 f-2 : -0.000003 f+3 : 0.000017 f-3 : 0.000035 1 Rhs : -0.001783 s : -0.001783 pz : 0.000001 p : -0.001584 px : -0.003278 py : 0.001693 dz2 : 0.059233 d : 0.919990 dxz : 0.120308 dyz : 0.076343 dx2y2 : 0.317968 dxy : 0.346138 f0 : -0.000000 f : 0.000088 f+1 : -0.000004 f-1 : 0.000032 f+2 : 0.000013 f-2 : -0.000003 f+3 : 0.000017 f-3 : 0.000034 2 C s : -0.000138 s : -0.000138 pz : -0.000715 p : -0.001184 px : -0.000175 py : -0.000295 dz2 : -0.000075 d : -0.000158 dxz : -0.000006 dyz : -0.000021 dx2y2 : -0.000064 dxy : 0.000008 f0 : -0.000011 f : -0.000020 f+1 : -0.000002 f-1 : 0.000001 f+2 : -0.000006 f-2 : 0.000000 f+3 : -0.000000 f-3 : -0.000003 3 C s : -0.000260 s : -0.000260 pz : -0.000298 p : -0.001164 px : 0.000034 py : -0.000899 dz2 : -0.000009 d : 0.001087 dxz : 0.000432 dyz : 0.000179 dx2y2 : 0.000021 dxy : 0.000465 f0 : 0.000002 f : 0.000070 f+1 : 0.000003 f-1 : -0.000015 f+2 : 0.000013 f-2 : 0.000010 f+3 : 0.000019 f-3 : 0.000037 4 C s : -0.000211 s : -0.000211 pz : -0.000750 p : -0.002076 px : 0.000027 py : -0.001353 dz2 : -0.000366 d : -0.001192 dxz : -0.000134 dyz : -0.000439 dx2y2 : -0.000390 dxy : 0.000137 f0 : -0.000049 f : -0.000176 f+1 : -0.000051 f-1 : -0.000002 f+2 : -0.000030 f-2 : -0.000023 f+3 : -0.000021 f-3 : -0.000000 5 C s : -0.000685 s : -0.000685 pz : -0.001955 p : 0.000129 px : 0.003831 py : -0.001747 dz2 : 0.000200 d : 0.002496 dxz : 0.000116 dyz : 0.000150 dx2y2 : 0.000032 dxy : 0.002000 f0 : 0.000048 f : 0.002019 f+1 : 0.000036 f-1 : 0.000145 f+2 : 0.000512 f-2 : 0.000204 f+3 : 0.000490 f-3 : 0.000584 6 C s : -0.000685 s : -0.000685 pz : -0.001953 p : 0.000130 px : 0.003830 py : -0.001748 dz2 : 0.000201 d : 0.002496 dxz : 0.000116 dyz : 0.000147 dx2y2 : 0.000027 dxy : 0.002005 f0 : 0.000048 f : 0.002020 f+1 : 0.000036 f-1 : 0.000145 f+2 : 0.000512 f-2 : 0.000204 f+3 : 0.000490 f-3 : 0.000585 7 C s : -0.000211 s : -0.000211 pz : -0.000751 p : -0.002073 px : 0.000028 py : -0.001350 dz2 : -0.000364 d : -0.001194 dxz : -0.000136 dyz : -0.000441 dx2y2 : -0.000391 dxy : 0.000138 f0 : -0.000049 f : -0.000177 f+1 : -0.000051 f-1 : -0.000002 f+2 : -0.000030 f-2 : -0.000023 f+3 : -0.000021 f-3 : -0.000000 8 C s : -0.000260 s : -0.000260 pz : -0.000299 p : -0.001164 px : 0.000035 py : -0.000900 dz2 : -0.000012 d : 0.001088 dxz : 0.000428 dyz : 0.000183 dx2y2 : 0.000019 dxy : 0.000469 f0 : 0.000002 f : 0.000070 f+1 : 0.000003 f-1 : -0.000015 f+2 : 0.000013 f-2 : 0.000010 f+3 : 0.000019 f-3 : 0.000037 9 C s : -0.000139 s : -0.000139 pz : -0.000710 p : -0.001187 px : -0.000175 py : -0.000302 dz2 : -0.000075 d : -0.000157 dxz : -0.000005 dyz : -0.000020 dx2y2 : -0.000066 dxy : 0.000008 f0 : -0.000011 f : -0.000020 f+1 : -0.000002 f-1 : 0.000001 f+2 : -0.000005 f-2 : 0.000000 f+3 : -0.000000 f-3 : -0.000003 10 H s : -0.000082 s : -0.000082 pz : -0.000008 p : -0.000015 px : -0.000005 py : -0.000003 11 H s : -0.000105 s : -0.000105 pz : -0.000011 p : -0.000021 px : -0.000000 py : -0.000010 12 H s : -0.000093 s : -0.000093 pz : -0.000013 p : -0.000019 px : -0.000001 py : -0.000005 13 H s : 0.000775 s : 0.000775 pz : -0.000016 p : -0.000036 px : -0.000012 py : -0.000008 14 H s : 0.000395 s : 0.000395 pz : -0.000010 p : -0.000035 px : -0.000016 py : -0.000009 15 H s : -0.000125 s : -0.000125 pz : -0.000011 p : -0.000027 px : -0.000004 py : -0.000012 16 H s : 0.000700 s : 0.000700 pz : 0.000308 p : 0.001065 px : 0.000679 py : 0.000079 17 H s : 0.001112 s : 0.001112 pz : 0.000051 p : 0.001018 px : 0.000941 py : 0.000026 18 H s : 0.001095 s : 0.001095 pz : 0.000050 p : 0.001021 px : 0.000942 py : 0.000029 19 H s : 0.000703 s : 0.000703 pz : 0.000307 p : 0.001065 px : 0.000680 py : 0.000078 20 H s : -0.000120 s : -0.000120 pz : -0.000011 p : -0.000027 px : -0.000004 py : -0.000012 21 H s : 0.000388 s : 0.000388 pz : -0.000010 p : -0.000035 px : -0.000016 py : -0.000009 22 H s : 0.000778 s : 0.000778 pz : -0.000016 p : -0.000036 px : -0.000012 py : -0.000009 23 H s : -0.000094 s : -0.000094 pz : -0.000013 p : -0.000019 px : -0.000001 py : -0.000005 24 H s : -0.000105 s : -0.000105 pz : -0.000011 p : -0.000021 px : -0.000000 py : -0.000010 25 H s : -0.000082 s : -0.000082 pz : -0.000008 p : -0.000015 px : -0.000005 py : -0.000003 26 O s : 0.000301 s : 0.000301 pz : -0.004592 p : -0.005733 px : 0.000050 py : -0.001191 dz2 : -0.000079 d : -0.000066 dxz : -0.000017 dyz : 0.000200 dx2y2 : -0.000073 dxy : -0.000098 f0 : -0.000003 f : 0.000007 f+1 : 0.000002 f-1 : 0.000006 f+2 : 0.000005 f-2 : -0.000002 f+3 : -0.000003 f-3 : 0.000002 27 O s : 0.003225 s : 0.003225 pz : 0.006985 p : 0.024139 px : 0.005338 py : 0.011816 dz2 : 0.000143 d : 0.002181 dxz : 0.000196 dyz : 0.000521 dx2y2 : 0.000264 dxy : 0.001056 f0 : 0.000006 f : 0.000069 f+1 : 0.000004 f-1 : 0.000001 f+2 : 0.000009 f-2 : 0.000018 f+3 : 0.000029 f-3 : 0.000002 28 O s : 0.000281 s : 0.000281 pz : -0.003764 p : -0.006057 px : -0.000740 py : -0.001553 dz2 : 0.000006 d : -0.000026 dxz : -0.000095 dyz : 0.000162 dx2y2 : 0.000000 dxy : -0.000099 f0 : 0.000001 f : 0.000009 f+1 : 0.000001 f-1 : 0.000005 f+2 : 0.000006 f-2 : -0.000002 f+3 : -0.000001 f-3 : -0.000001 29 O s : 0.004961 s : 0.004961 pz : 0.002544 p : 0.024918 px : 0.017716 py : 0.004658 dz2 : 0.000067 d : 0.001934 dxz : 0.000418 dyz : 0.000013 dx2y2 : 0.001027 dxy : 0.000408 f0 : 0.000011 f : 0.000060 f+1 : 0.000004 f-1 : -0.000002 f+2 : 0.000012 f-2 : 0.000005 f+3 : 0.000021 f-3 : 0.000009 30 O s : 0.003287 s : 0.003287 pz : 0.002184 p : 0.024936 px : 0.015144 py : 0.007609 dz2 : -0.000080 d : 0.002111 dxz : 0.000151 dyz : 0.001032 dx2y2 : 0.000474 dxy : 0.000533 f0 : 0.000005 f : 0.000065 f+1 : -0.000006 f-1 : 0.000001 f+2 : 0.000021 f-2 : 0.000025 f+3 : 0.000006 f-3 : 0.000015 31 O s : 0.003280 s : 0.003280 pz : 0.002170 p : 0.024858 px : 0.015115 py : 0.007573 dz2 : -0.000080 d : 0.002107 dxz : 0.000151 dyz : 0.001030 dx2y2 : 0.000474 dxy : 0.000532 f0 : 0.000005 f : 0.000065 f+1 : -0.000006 f-1 : 0.000001 f+2 : 0.000020 f-2 : 0.000025 f+3 : 0.000006 f-3 : 0.000015 32 O s : 0.004962 s : 0.004962 pz : 0.002580 p : 0.025016 px : 0.017704 py : 0.004733 dz2 : 0.000070 d : 0.001932 dxz : 0.000413 dyz : 0.000013 dx2y2 : 0.001029 dxy : 0.000407 f0 : 0.000010 f : 0.000060 f+1 : 0.000005 f-1 : -0.000002 f+2 : 0.000012 f-2 : 0.000005 f+3 : 0.000021 f-3 : 0.000009 33 O s : 0.000282 s : 0.000282 pz : -0.003750 p : -0.006036 px : -0.000739 py : -0.001546 dz2 : 0.000006 d : -0.000024 dxz : -0.000095 dyz : 0.000163 dx2y2 : 0.000000 dxy : -0.000099 f0 : 0.000001 f : 0.000009 f+1 : 0.000001 f-1 : 0.000005 f+2 : 0.000006 f-2 : -0.000002 f+3 : -0.000001 f-3 : -0.000001 34 O s : 0.003232 s : 0.003232 pz : 0.007023 p : 0.024235 px : 0.005335 py : 0.011877 dz2 : 0.000144 d : 0.002185 dxz : 0.000197 dyz : 0.000522 dx2y2 : 0.000265 dxy : 0.001058 f0 : 0.000006 f : 0.000070 f+1 : 0.000004 f-1 : 0.000001 f+2 : 0.000009 f-2 : 0.000018 f+3 : 0.000029 f-3 : 0.000002 35 O s : 0.000298 s : 0.000298 pz : -0.004620 p : -0.005777 px : 0.000054 py : -0.001210 dz2 : -0.000079 d : -0.000067 dxz : -0.000017 dyz : 0.000200 dx2y2 : -0.000073 dxy : -0.000098 f0 : -0.000003 f : 0.000007 f+1 : 0.000002 f-1 : 0.000006 f+2 : 0.000005 f-2 : -0.000002 f+3 : -0.000003 f-3 : 0.000002 ***************************** * MAYER POPULATION ANALYSIS * ***************************** NA - Mulliken gross atomic population ZA - Total nuclear charge QA - Mulliken gross atomic charge VA - Mayer's total valence BVA - Mayer's bonded valence FA - Mayer's free valence ATOM NA ZA QA VA BVA FA 0 Rh 44.3758 45.0000 0.6242 3.7087 3.2787 0.4299 1 Rh 44.3762 45.0000 0.6238 3.7106 3.2799 0.4307 2 C 6.3467 6.0000 -0.3467 3.8863 3.8863 0.0000 3 C 6.3709 6.0000 -0.3709 3.8837 3.8837 0.0000 4 C 5.5435 6.0000 0.4565 4.0070 4.0070 0.0000 5 C 5.5389 6.0000 0.4611 4.0042 4.0041 0.0001 6 C 5.5389 6.0000 0.4611 4.0040 4.0039 0.0001 7 C 5.5433 6.0000 0.4567 4.0061 4.0061 0.0000 8 C 6.3709 6.0000 -0.3709 3.8837 3.8837 0.0000 9 C 6.3474 6.0000 -0.3474 3.8864 3.8864 0.0000 10 H 0.8551 1.0000 0.1449 0.9815 0.9815 0.0000 11 H 0.8415 1.0000 0.1585 0.9691 0.9691 0.0000 12 H 0.8499 1.0000 0.1501 0.9747 0.9747 0.0000 13 H 0.8475 1.0000 0.1525 0.9767 0.9767 0.0000 14 H 0.8463 1.0000 0.1537 0.9741 0.9741 0.0000 15 H 0.8412 1.0000 0.1588 0.9672 0.9672 0.0000 16 H 0.6174 1.0000 0.3826 0.8691 0.8691 0.0000 17 H 0.6161 1.0000 0.3839 0.8685 0.8685 0.0000 18 H 0.6161 1.0000 0.3839 0.8684 0.8684 0.0000 19 H 0.6179 1.0000 0.3821 0.8695 0.8695 0.0000 20 H 0.8414 1.0000 0.1586 0.9673 0.9673 0.0000 21 H 0.8460 1.0000 0.1540 0.9738 0.9738 0.0000 22 H 0.8477 1.0000 0.1523 0.9769 0.9769 0.0000 23 H 0.8499 1.0000 0.1501 0.9745 0.9745 0.0000 24 H 0.8418 1.0000 0.1582 0.9692 0.9692 0.0000 25 H 0.8549 1.0000 0.1451 0.9815 0.9815 0.0000 26 O 8.4576 8.0000 -0.4576 2.0681 2.0680 0.0001 27 O 8.4585 8.0000 -0.4585 2.0513 2.0506 0.0007 28 O 8.4559 8.0000 -0.4559 2.0456 2.0455 0.0001 29 O 8.6748 8.0000 -0.6748 1.8696 1.8688 0.0008 30 O 8.4629 8.0000 -0.4629 2.0361 2.0354 0.0008 31 O 8.4630 8.0000 -0.4630 2.0361 2.0354 0.0008 32 O 8.6739 8.0000 -0.6739 1.8706 1.8698 0.0008 33 O 8.4553 8.0000 -0.4553 2.0457 2.0457 0.0001 34 O 8.4582 8.0000 -0.4582 2.0517 2.0510 0.0007 35 O 8.4568 8.0000 -0.4568 2.0692 2.0691 0.0001 Mayer bond orders larger than 0.1 B( 0-Rh, 1-Rh) : 1.0604 B( 0-Rh, 26-O ) : 0.4574 B( 0-Rh, 27-O ) : 0.4357 B( 0-Rh, 29-O ) : 0.1453 B( 0-Rh, 31-O ) : 0.4353 B( 0-Rh, 33-O ) : 0.4569 B( 1-Rh, 28-O ) : 0.4565 B( 1-Rh, 30-O ) : 0.4352 B( 1-Rh, 32-O ) : 0.1460 B( 1-Rh, 34-O ) : 0.4359 B( 1-Rh, 35-O ) : 0.4580 B( 2-C , 4-C ) : 1.0121 B( 2-C , 10-H ) : 0.9670 B( 2-C , 11-H ) : 0.9359 B( 2-C , 12-H ) : 0.9474 B( 3-C , 5-C ) : 1.0073 B( 3-C , 13-H ) : 0.9654 B( 3-C , 14-H ) : 0.9538 B( 3-C , 15-H ) : 0.9331 B( 4-C , 26-O ) : 1.4745 B( 4-C , 28-O ) : 1.4643 B( 5-C , 27-O ) : 1.4711 B( 5-C , 30-O ) : 1.4625 B( 6-C , 8-C ) : 1.0071 B( 6-C , 31-O ) : 1.4622 B( 6-C , 34-O ) : 1.4714 B( 7-C , 9-C ) : 1.0116 B( 7-C , 33-O ) : 1.4641 B( 7-C , 35-O ) : 1.4747 B( 8-C , 20-H ) : 0.9334 B( 8-C , 21-H ) : 0.9536 B( 8-C , 22-H ) : 0.9655 B( 9-C , 23-H ) : 0.9470 B( 9-C , 24-H ) : 0.9367 B( 9-C , 25-H ) : 0.9671 B( 16-H , 29-O ) : 0.8527 B( 17-H , 29-O ) : 0.8523 B( 18-H , 32-O ) : 0.8523 B( 19-H , 32-O ) : 0.8531 ------------------------- FLIP-SPIN BROKEN SYMMETRY ------------------------- Flipping spin on atom Rh 1 Before flipping the spin we have: Multiplicity ... 3 Number of unpaired electrons ... 2 Number of spin-up electrons ... 118 Number of spin-down electrons ... 116 HOMO spin-up ... 117 HOMO spin-down ... 115 After flipping the spin we have: Multiplicity ... 1 Number of unpaired electrons ... 0 Number of spin-up electrons ... 117 Number of spin-down electrons ... 117 HOMO spin-up ... 116 HOMO spin-down ... 116 -------------------- COSX GRID GENERATION -------------------- General Integration Accuracy IntAcc ... 3.340 Radial Grid Type RadialGrid ... Gauss-Chebyshev Angular Grid (max. acc.) AngularGrid ... Lebedev-50 Angular grid pruning method GridPruning ... 3 (G Style) Weight generation scheme WeightScheme... Becke Basis function cutoff BFCut ... 1.0000e-011 Integration weight cutoff WCut ... 1.0000e-014 Grids for H and He will be reduced by one unit # of grid points (after initial pruning) ... 18068 ( 0.0 sec) # of grid points (after weights+screening) ... 16449 ( 0.3 sec) nearest neighbour list constructed ... 0.0 sec Grid point re-assignment to atoms done ... 0.0 sec Grid point division into batches done ... 0.0 sec Reduced shell lists constructed in 1.0 sec Total number of grid points ... 16449 Total number of batches ... 272 Average number of points per batch ... 60 Average number of grid points per atom ... 457 Average number of shells per batch ... 139.88 (46.32%) Average number of basis functions per batch ... 345.89 (44.92%) Average number of large shells per batch ... 90.92 (65.00%) Average number of large basis fcns per batch ... 222.28 (64.26%) Maximum spatial batch extension ... 17.62, 17.44, 16.58 au Average spatial batch extension ... 4.37, 4.47, 4.40 au General Integration Accuracy IntAcc ... 4.010 Radial Grid Type RadialGrid ... Gauss-Chebyshev Angular Grid (max. acc.) AngularGrid ... Lebedev-50 Angular grid pruning method GridPruning ... 3 (G Style) Weight generation scheme WeightScheme... Becke Basis function cutoff BFCut ... 1.0000e-011 Integration weight cutoff WCut ... 1.0000e-014 Grids for H and He will be reduced by one unit # of grid points (after initial pruning) ... 27100 ( 0.0 sec) # of grid points (after weights+screening) ... 24544 ( 0.4 sec) nearest neighbour list constructed ... 0.0 sec Grid point re-assignment to atoms done ... 0.0 sec Grid point division into batches done ... 0.0 sec Reduced shell lists constructed in 1.4 sec Total number of grid points ... 24544 Total number of batches ... 402 Average number of points per batch ... 61 Average number of grid points per atom ... 682 Average number of shells per batch ... 132.78 (43.97%) Average number of basis functions per batch ... 325.22 (42.24%) Average number of large shells per batch ... 85.32 (64.25%) Average number of large basis fcns per batch ... 207.00 (63.65%) Maximum spatial batch extension ... 20.11, 19.95, 19.32 au Average spatial batch extension ... 3.89, 3.99, 3.90 au General Integration Accuracy IntAcc ... 4.340 Radial Grid Type RadialGrid ... Gauss-Chebyshev Angular Grid (max. acc.) AngularGrid ... Lebedev-194 Angular grid pruning method GridPruning ... 3 (G Style) Weight generation scheme WeightScheme... Becke Basis function cutoff BFCut ... 1.0000e-011 Integration weight cutoff WCut ... 1.0000e-014 Grids for H and He will be reduced by one unit # of grid points (after initial pruning) ... 96380 ( 0.1 sec) # of grid points (after weights+screening) ... 86026 ( 1.4 sec) nearest neighbour list constructed ... 0.0 sec Grid point re-assignment to atoms done ... 0.0 sec Grid point division into batches done ... 0.2 sec Reduced shell lists constructed in 4.4 sec Total number of grid points ... 86026 Total number of batches ... 1360 Average number of points per batch ... 63 Average number of grid points per atom ... 2390 Average number of shells per batch ... 121.51 (40.24%) Average number of basis functions per batch ... 294.63 (38.26%) Average number of large shells per batch ... 77.42 (63.72%) Average number of large basis fcns per batch ... 186.19 (63.20%) Maximum spatial batch extension ... 21.98, 18.77, 19.42 au Average spatial batch extension ... 2.73, 2.76, 2.75 au Time for X-Grid setup = 9.002 sec Time for 1-center integral setup = 19.671 sec Time for 1-center integral setup = 20.514 sec -------------------- COSMO INITIALIZATION -------------------- Epsilon ... 80.4000 Refractive Index ... 1.3300 Potential Evaluation ... ANALYTIC Technical COSMO parameters: rsolv ... 1.3000 routf ... 0.8500 disex ... 10.0000 nppa ... 1082 nspa ... 92 Radii: Radius for Rh used is 4.2009 Bohr (= 2.2230 Ang.) Radius for C used is 3.7795 Bohr (= 2.0000 Ang.) Radius for H used is 2.4566 Bohr (= 1.3000 Ang.) Radius for O used is 3.2503 Bohr (= 1.7200 Ang.) Initializing COSMO package ... done Setting COSMO radii ... done Setting atoms and making cavity ... USING 1082 GRID done Cholesky decomposition of A ... done -------------- SCF ITERATIONS -------------- ITER Energy Delta-E Max-DP RMS-DP [F,P] Damp *** Starting incremental Fock matrix formation *** *** Resetting DIIS *** 0 -10443.3613358582 0.000000000000 0.07851230 0.00057483 0.0033516 0.0000 1 -10443.4144829750 -0.053147116783 0.00720985 0.00005587 0.0130237 0.0000 2 -10443.4139596630 0.000523311988 0.00378992 0.00002917 0.0121813 0.0000 3 -10443.4132980971 0.000661565897 0.00223079 0.00001739 0.0119136 0.0000 4 -10443.4128109283 0.000487168769 0.00141141 0.00001128 0.0116208 0.0000 5 -10443.4124737614 0.000337166903 0.00682001 0.00006643 0.0113945 0.0000 6 -10443.4136436375 -0.001169876014 0.00549233 0.00003667 0.0050759 0.0000 7 -10443.4145871726 -0.000943535168 0.00367452 0.00002794 0.0068670 0.0000 8 -10443.4156773648 -0.001090192205 0.00274470 0.00001892 0.0019369 0.0000 9 -10443.4163184345 -0.000641069661 0.00629823 0.00004502 0.0006559 0.0000 10 -10443.4174862860 -0.001167851518 0.00272881 0.00001908 0.0009312 0.0000 11 -10443.4178388633 -0.000352577317 0.00250865 0.00001749 0.0004038 0.0000 12 -10443.4180849070 -0.000246043728 0.00218711 0.00001567 0.0003254 0.0000 13 -10443.4182481118 -0.000163204762 0.00115379 0.00000807 0.0001211 0.0000 14 -10443.4183100495 -0.000061937642 0.00051560 0.00000344 0.0001321 0.0000 15 -10443.4183319999 -0.000021950471 0.00131597 0.00000933 0.0000735 0.0000 16 -10443.4183783466 -0.000046346686 0.00025344 0.00000177 0.0000236 0.0000 17 -10443.4183849463 -0.000006599734 0.00060437 0.00000430 0.0000289 0.0000 18 -10443.4183981039 -0.000013157536 0.00030375 0.00000216 0.0000094 0.0000 19 -10443.4184033574 -0.000005253491 0.00035907 0.00000255 0.0000050 0.0000 *** Restarting incremental Fock matrix formation *** *** Resetting DIIS *** 20 -10443.4184071192 -0.000003761799 0.00028399 0.00000201 0.0000048 0.0000 21 -10443.4184098560 -0.000002736835 0.00005096 0.00000034 0.0000130 0.0000 22 -10443.4184102544 -0.000000398417 0.00005024 0.00000035 0.0000056 0.0000 23 -10443.4184105848 -0.000000330412 0.00015848 0.00000113 0.0000021 0.0000 ***DIIS convergence achieved*** ***************************************************** * SUCCESS * * SCF CONVERGED AFTER 24 CYCLES * ***************************************************** Setting up the final grid: General Integration Accuracy IntAcc ... 4.670 Radial Grid Type RadialGrid ... Gauss-Chebyshev Angular Grid (max. acc.) AngularGrid ... Lebedev-302 Angular grid pruning method GridPruning ... 3 (G Style) Weight generation scheme WeightScheme... Becke Basis function cutoff BFCut ... 1.0000e-011 Integration weight cutoff WCut ... 1.0000e-014 Grids for H and He will be reduced by one unit # of grid points (after initial pruning) ... 187316 ( 0.3 sec) # of grid points (after weights+screening) ... 165646 ( 2.9 sec) nearest neighbour list constructed ... 0.0 sec Grid point re-assignment to atoms done ... 0.1 sec Grid point division into batches done ... 0.8 sec Reduced shell lists constructed in 8.6 sec Total number of grid points ... 165646 Total number of batches ... 2603 Average number of points per batch ... 63 Average number of grid points per atom ... 4601 Average number of shells per batch ... 114.29 (37.84%) Average number of basis functions per batch ... 274.55 (35.66%) Average number of large shells per batch ... 72.24 (63.21%) Average number of large basis fcns per batch ... 172.43 (62.80%) Maximum spatial batch extension ... 22.87, 19.54, 19.25 au Average spatial batch extension ... 2.24, 2.24, 2.24 au Final grid set up in 11.8 sec Final integration ... done ( 97.0 sec) Change in XC energy ... 0.006085962 Integrated number of electrons ... 233.999855059 Previous integrated no of electrons ... 233.999999884 Old exchange energy = -39.704035231 Eh New exchange energy = -39.703704443 Eh Exchange energy change after final integration = 0.000330788 Eh Total energy after final integration = -10443.411994875 Eh Final COS-X integration done in = 1082.580 sec otool_cosmo 2rh2acetate2aq_bs tmp -7.288173352708164E-003 -4.19548471551130 -3.68266448440510 5.326358081017822E-004 0.278736501612404 1.910893639766053E-003 Total Energy after outlying charge correction = -10443.412334463 Eh ---------------- TOTAL SCF ENERGY ---------------- Total Energy : -10443.41199487 Eh -284179.68780 eV Components: Nuclear Repulsion : 4159.83016440 Eh 113194.73348 eV Electronic Energy : -14603.24215928 Eh -397374.42128 eV COSMO(ediel) : -0.04537826 Eh -1.23481 eV One Electron Energy: -22724.27969460 Eh -618359.08726 eV Two Electron Energy: 8121.03753532 Eh 220984.66598 eV Virial components: Potential Energy : -20873.11736553 Eh -567986.39939 eV Kinetic Energy : 10429.70537066 Eh 283806.71159 eV Virial Ratio : 2.00131419 DFT components: N(Alpha) : 116.999927529745 electrons N(Beta) : 116.999927529267 electrons N(Total) : 233.999855059012 electrons E(X) : -358.182512616608 Eh E(C) : -9.624323816161 Eh E(XC) : -367.806836432768 Eh --------------- SCF CONVERGENCE --------------- Last Energy change ... -1.0397e-006 Tolerance : 1.0000e-008 Last MAX-Density change ... 0.0000e+000 Tolerance : 1.0000e-007 Last RMS-Density change ... 0.0000e+000 Tolerance : 5.0000e-009 Last DIIS Error ... 5.3803e-007 Tolerance : 5.0000e-007 **** THE GBW FILE WAS UPDATED (2rh2acetate2aq_bs.gbw) **** **** DENSITY FILE WAS UPDATED (2rh2acetate2aq_bs.scfp.tmp) **** **** ENERGY FILE WAS UPDATED (2rh2acetate2aq_bs.en.tmp) **** ---------------------- UHF SPIN CONTAMINATION ---------------------- Warning: in a DFT calculation there is little theoretical justification to calculate as in Hartree-Fock theory. We will do it anyways but you should keep in mind that the values have only limited relevance Expectation value of : 0.000035 Ideal value S*(S+1) for S=0.0 : 0.000000 Deviation : 0.000035 ---------------- ORBITAL ENERGIES ---------------- SPIN UP ORBITALS NO OCC E(Eh) E(eV) 0 1.0000 -824.225244 -22428.3091 1 1.0000 -824.225232 -22428.3088 2 1.0000 -117.548071 -3198.6456 3 1.0000 -117.548036 -3198.6447 4 1.0000 -108.878765 -2962.7418 5 1.0000 -108.878752 -2962.7415 6 1.0000 -108.878723 -2962.7407 7 1.0000 -108.878711 -2962.7403 8 1.0000 -108.877916 -2962.7187 9 1.0000 -108.877865 -2962.7173 10 1.0000 -21.101223 -574.1935 11 1.0000 -21.101198 -574.1928 12 1.0000 -19.082327 -519.2565 13 1.0000 -19.082229 -519.2538 14 1.0000 -19.066901 -518.8368 15 1.0000 -19.066852 -518.8354 16 1.0000 -19.065923 -518.8101 17 1.0000 -19.065921 -518.8101 18 1.0000 -19.065141 -518.7889 19 1.0000 -19.065120 -518.7883 20 1.0000 -19.064671 -518.7761 21 1.0000 -19.064571 -518.7733 22 1.0000 -17.657457 -480.4838 23 1.0000 -17.657445 -480.4835 24 1.0000 -17.657363 -480.4813 25 1.0000 -17.657349 -480.4809 26 1.0000 -17.651972 -480.3346 27 1.0000 -17.651950 -480.3340 28 1.0000 -11.341799 -308.6260 29 1.0000 -11.341781 -308.6255 30 1.0000 -11.340077 -308.5792 31 1.0000 -11.340038 -308.5781 32 1.0000 -11.339384 -308.5603 33 1.0000 -11.339376 -308.5601 34 1.0000 -11.337841 -308.5184 35 1.0000 -11.337811 -308.5175 36 1.0000 -11.333392 -308.3973 37 1.0000 -11.333286 -308.3944 38 1.0000 -10.241135 -278.6754 39 1.0000 -10.241047 -278.6730 40 1.0000 -10.240950 -278.6704 41 1.0000 -10.240933 -278.6699 42 1.0000 -10.118170 -275.3294 43 1.0000 -10.118154 -275.3290 44 1.0000 -10.118112 -275.3278 45 1.0000 -10.118061 -275.3264 46 1.0000 -2.919321 -79.4388 47 1.0000 -2.916067 -79.3502 48 1.0000 -1.871574 -50.9281 49 1.0000 -1.871372 -50.9226 50 1.0000 -1.869929 -50.8834 51 1.0000 -1.869189 -50.8632 52 1.0000 -1.868795 -50.8525 53 1.0000 -1.848269 -50.2940 54 1.0000 -1.056532 -28.7497 55 1.0000 -1.051370 -28.6092 56 1.0000 -1.051212 -28.6049 57 1.0000 -1.051130 -28.6027 58 1.0000 -1.010016 -27.4839 59 1.0000 -1.009915 -27.4812 60 1.0000 -0.972996 -26.4766 61 1.0000 -0.968713 -26.3600 62 1.0000 -0.967552 -26.3284 63 1.0000 -0.967295 -26.3214 64 1.0000 -0.721331 -19.6284 65 1.0000 -0.719847 -19.5880 66 1.0000 -0.718923 -19.5629 67 1.0000 -0.718864 -19.5613 68 1.0000 -0.547862 -14.9081 69 1.0000 -0.542187 -14.7537 70 1.0000 -0.535124 -14.5615 71 1.0000 -0.532433 -14.4883 72 1.0000 -0.524771 -14.2797 73 1.0000 -0.521646 -14.1947 74 1.0000 -0.493371 -13.4253 75 1.0000 -0.487701 -13.2710 76 1.0000 -0.467374 -12.7179 77 1.0000 -0.466092 -12.6830 78 1.0000 -0.458762 -12.4836 79 1.0000 -0.454446 -12.3661 80 1.0000 -0.453639 -12.3441 81 1.0000 -0.452158 -12.3038 82 1.0000 -0.444368 -12.0919 83 1.0000 -0.442337 -12.0366 84 1.0000 -0.442205 -12.0330 85 1.0000 -0.434624 -11.8267 86 1.0000 -0.410263 -11.1638 87 1.0000 -0.406739 -11.0679 88 1.0000 -0.387580 -10.5466 89 1.0000 -0.386916 -10.5285 90 1.0000 -0.386483 -10.5167 91 1.0000 -0.386435 -10.5154 92 1.0000 -0.379615 -10.3298 93 1.0000 -0.366876 -9.9832 94 1.0000 -0.366678 -9.9778 95 1.0000 -0.357085 -9.7168 96 1.0000 -0.346648 -9.4328 97 1.0000 -0.342468 -9.3190 98 1.0000 -0.338036 -9.1984 99 1.0000 -0.335967 -9.1421 100 1.0000 -0.330761 -9.0005 101 1.0000 -0.307187 -8.3590 102 1.0000 -0.302608 -8.2344 103 1.0000 -0.302386 -8.2283 104 1.0000 -0.301145 -8.1946 105 1.0000 -0.301013 -8.1910 106 1.0000 -0.300451 -8.1757 107 1.0000 -0.286976 -7.8090 108 1.0000 -0.286205 -7.7880 109 1.0000 -0.281598 -7.6627 110 1.0000 -0.251065 -6.8318 111 1.0000 -0.249178 -6.7805 112 1.0000 -0.241164 -6.5624 113 1.0000 -0.240340 -6.5400 114 1.0000 -0.201522 -5.4837 115 1.0000 -0.200095 -5.4449 116 1.0000 -0.198431 -5.3996 117 0.0000 -0.085673 -2.3313 118 0.0000 -0.077502 -2.1089 119 0.0000 -0.063388 -1.7249 120 0.0000 -0.016003 -0.4355 121 0.0000 -0.015638 -0.4255 122 0.0000 -0.009642 -0.2624 123 0.0000 -0.003477 -0.0946 124 0.0000 0.008144 0.2216 125 0.0000 0.020453 0.5565 126 0.0000 0.047118 1.2822 127 0.0000 0.054475 1.4824 128 0.0000 0.055090 1.4991 129 0.0000 0.072649 1.9769 130 0.0000 0.104050 2.8313 131 0.0000 0.106695 2.9033 132 0.0000 0.112174 3.0524 133 0.0000 0.113635 3.0922 134 0.0000 0.118354 3.2206 135 0.0000 0.118980 3.2376 136 0.0000 0.121642 3.3100 137 0.0000 0.123781 3.3683 138 0.0000 0.125373 3.4116 139 0.0000 0.130124 3.5409 140 0.0000 0.134543 3.6611 141 0.0000 0.135349 3.6830 142 0.0000 0.141094 3.8394 143 0.0000 0.148246 4.0340 144 0.0000 0.149213 4.0603 145 0.0000 0.150018 4.0822 146 0.0000 0.161892 4.4053 147 0.0000 0.163036 4.4364 148 0.0000 0.164165 4.4672 149 0.0000 0.187164 5.0930 150 0.0000 0.197853 5.3839 151 0.0000 0.198968 5.4142 152 0.0000 0.205649 5.5960 153 0.0000 0.213097 5.7987 154 0.0000 0.219440 5.9713 155 0.0000 0.221241 6.0203 156 0.0000 0.227569 6.1925 157 0.0000 0.231214 6.2917 158 0.0000 0.236345 6.4313 159 0.0000 0.248078 6.7505 160 0.0000 0.255397 6.9497 161 0.0000 0.256074 6.9681 162 0.0000 0.261246 7.1089 163 0.0000 0.263078 7.1587 164 0.0000 0.273045 7.4299 165 0.0000 0.278268 7.5721 166 0.0000 0.290459 7.9038 167 0.0000 0.303575 8.2607 168 0.0000 0.315483 8.5847 169 0.0000 0.319175 8.6852 170 0.0000 0.321804 8.7567 171 0.0000 0.322319 8.7707 172 0.0000 0.352078 9.5805 173 0.0000 0.364899 9.9294 174 0.0000 0.366732 9.9793 175 0.0000 0.374242 10.1837 176 0.0000 0.385518 10.4905 177 0.0000 0.389507 10.5990 178 0.0000 0.390605 10.6289 179 0.0000 0.393448 10.7063 180 0.0000 0.394830 10.7439 181 0.0000 0.396021 10.7763 182 0.0000 0.397850 10.8260 183 0.0000 0.400000 10.8846 184 0.0000 0.402130 10.9425 185 0.0000 0.403569 10.9817 186 0.0000 0.404882 11.0174 187 0.0000 0.406589 11.0638 188 0.0000 0.410969 11.1830 189 0.0000 0.412913 11.2359 190 0.0000 0.413635 11.2556 191 0.0000 0.420488 11.4421 192 0.0000 0.437035 11.8923 193 0.0000 0.440597 11.9892 194 0.0000 0.444307 12.0902 195 0.0000 0.446393 12.1470 196 0.0000 0.447703 12.1826 197 0.0000 0.456024 12.4090 198 0.0000 0.457954 12.4615 199 0.0000 0.462368 12.5817 200 0.0000 0.466073 12.6825 201 0.0000 0.480883 13.0855 202 0.0000 0.495629 13.4868 203 0.0000 0.500230 13.6119 204 0.0000 0.505331 13.7508 205 0.0000 0.505412 13.7530 206 0.0000 0.508248 13.8301 207 0.0000 0.511352 13.9146 208 0.0000 0.511725 13.9248 209 0.0000 0.518071 14.0974 210 0.0000 0.521399 14.1880 211 0.0000 0.531525 14.4635 212 0.0000 0.539511 14.6808 213 0.0000 0.545299 14.8383 214 0.0000 0.555204 15.1079 215 0.0000 0.562504 15.3065 216 0.0000 0.575989 15.6734 217 0.0000 0.582025 15.8377 218 0.0000 0.586289 15.9537 219 0.0000 0.591621 16.0988 220 0.0000 0.610052 16.6004 221 0.0000 0.611374 16.6363 222 0.0000 0.616104 16.7650 223 0.0000 0.627358 17.0713 224 0.0000 0.638440 17.3728 225 0.0000 0.649682 17.6787 226 0.0000 0.652288 17.7497 227 0.0000 0.654844 17.8192 228 0.0000 0.659638 17.9497 229 0.0000 0.660046 17.9608 230 0.0000 0.667325 18.1588 231 0.0000 0.668358 18.1869 232 0.0000 0.684053 18.6140 233 0.0000 0.698374 19.0037 234 0.0000 0.716787 19.5048 235 0.0000 0.729261 19.8442 236 0.0000 0.743735 20.2381 237 0.0000 0.751524 20.4500 238 0.0000 0.752338 20.4722 239 0.0000 0.767725 20.8909 240 0.0000 0.768140 20.9021 241 0.0000 0.774968 21.0879 242 0.0000 0.782402 21.2902 243 0.0000 0.783662 21.3245 244 0.0000 0.795607 21.6496 245 0.0000 0.811369 22.0785 246 0.0000 0.813625 22.1399 247 0.0000 0.819186 22.2912 248 0.0000 0.822697 22.3867 249 0.0000 0.831131 22.6162 250 0.0000 0.841497 22.8983 251 0.0000 0.848188 23.0804 252 0.0000 0.850164 23.1341 253 0.0000 0.863108 23.4864 254 0.0000 0.864305 23.5189 255 0.0000 0.893586 24.3157 256 0.0000 0.896888 24.4056 257 0.0000 0.906792 24.6751 258 0.0000 0.915260 24.9055 259 0.0000 0.916362 24.9355 260 0.0000 0.935480 25.4557 261 0.0000 0.942601 25.6495 262 0.0000 0.943861 25.6838 263 0.0000 0.952314 25.9138 264 0.0000 0.962746 26.1977 265 0.0000 0.966833 26.3089 266 0.0000 0.969973 26.3943 267 0.0000 0.974030 26.5047 268 0.0000 0.981852 26.7175 269 0.0000 1.000351 27.2209 270 0.0000 1.005821 27.3698 271 0.0000 1.013224 27.5712 272 0.0000 1.023963 27.8635 273 0.0000 1.028318 27.9820 274 0.0000 1.034993 28.1636 275 0.0000 1.039973 28.2991 276 0.0000 1.040655 28.3177 277 0.0000 1.044423 28.4202 278 0.0000 1.063778 28.9469 279 0.0000 1.068935 29.0872 280 0.0000 1.077486 29.3199 281 0.0000 1.083312 29.4784 282 0.0000 1.086632 29.5688 283 0.0000 1.096085 29.8260 284 0.0000 1.101767 29.9806 285 0.0000 1.144127 31.1333 286 0.0000 1.147308 31.2198 287 0.0000 1.149913 31.2907 288 0.0000 1.160849 31.5883 289 0.0000 1.180292 32.1174 290 0.0000 1.216274 33.0965 291 0.0000 1.222809 33.2743 292 0.0000 1.243592 33.8399 293 0.0000 1.253110 34.0989 294 0.0000 1.253909 34.1206 295 0.0000 1.260803 34.3082 296 0.0000 1.291652 35.1476 297 0.0000 1.299372 35.3577 298 0.0000 1.316382 35.8206 299 0.0000 1.327545 36.1243 300 0.0000 1.351033 36.7635 301 0.0000 1.386855 37.7382 302 0.0000 1.389047 37.7979 303 0.0000 1.410416 38.3794 304 0.0000 1.424285 38.7568 305 0.0000 1.429338 38.8943 306 0.0000 1.434520 39.0353 307 0.0000 1.441350 39.2211 308 0.0000 1.442937 39.2643 309 0.0000 1.446846 39.3707 310 0.0000 1.453787 39.5596 311 0.0000 1.459762 39.7221 312 0.0000 1.466597 39.9081 313 0.0000 1.472665 40.0732 314 0.0000 1.472966 40.0815 315 0.0000 1.479479 40.2587 316 0.0000 1.489281 40.5254 317 0.0000 1.496079 40.7104 318 0.0000 1.512507 41.1574 319 0.0000 1.522904 41.4403 320 0.0000 1.523450 41.4552 321 0.0000 1.529299 41.6143 322 0.0000 1.532857 41.7112 323 0.0000 1.536450 41.8089 324 0.0000 1.537796 41.8456 325 0.0000 1.540317 41.9141 326 0.0000 1.542457 41.9724 327 0.0000 1.550210 42.1834 328 0.0000 1.554736 42.3065 329 0.0000 1.556903 42.3655 330 0.0000 1.562569 42.5197 331 0.0000 1.569261 42.7018 332 0.0000 1.572833 42.7990 333 0.0000 1.580084 42.9963 334 0.0000 1.583772 43.0966 335 0.0000 1.596349 43.4389 336 0.0000 1.600149 43.5423 337 0.0000 1.602739 43.6127 338 0.0000 1.610126 43.8138 339 0.0000 1.610441 43.8223 340 0.0000 1.635970 44.5170 341 0.0000 1.639807 44.6214 342 0.0000 1.644232 44.7418 343 0.0000 1.647671 44.8354 344 0.0000 1.652911 44.9780 345 0.0000 1.720009 46.8038 346 0.0000 1.724849 46.9355 347 0.0000 1.742994 47.4293 348 0.0000 1.744669 47.4749 349 0.0000 1.753713 47.7210 350 0.0000 1.792273 48.7702 351 0.0000 1.794004 48.8173 352 0.0000 1.804368 49.0993 353 0.0000 1.810817 49.2748 354 0.0000 1.815574 49.4043 355 0.0000 1.821989 49.5788 356 0.0000 1.832422 49.8627 357 0.0000 1.834421 49.9171 358 0.0000 1.854761 50.4706 359 0.0000 1.863543 50.7096 360 0.0000 1.864461 50.7346 361 0.0000 1.869281 50.8657 362 0.0000 1.879308 51.1386 363 0.0000 1.888957 51.4011 364 0.0000 1.894914 51.5632 365 0.0000 1.895290 51.5735 366 0.0000 1.898634 51.6644 367 0.0000 1.902339 51.7653 368 0.0000 1.914351 52.0921 369 0.0000 1.927860 52.4597 370 0.0000 1.945516 52.9402 371 0.0000 1.954901 53.1956 372 0.0000 1.964187 53.4482 373 0.0000 1.972500 53.6745 374 0.0000 1.983120 53.9634 375 0.0000 1.983779 53.9814 376 0.0000 1.989093 54.1260 377 0.0000 2.005629 54.5759 378 0.0000 2.016109 54.8611 379 0.0000 2.031903 55.2909 380 0.0000 2.042226 55.5718 381 0.0000 2.051342 55.8199 382 0.0000 2.069675 56.3187 383 0.0000 2.074252 56.4433 384 0.0000 2.074550 56.4514 385 0.0000 2.079559 56.5877 386 0.0000 2.094375 56.9908 387 0.0000 2.099803 57.1386 388 0.0000 2.105588 57.2960 389 0.0000 2.108501 57.3752 390 0.0000 2.112990 57.4974 391 0.0000 2.118982 57.6604 392 0.0000 2.120930 57.7134 393 0.0000 2.126974 57.8779 394 0.0000 2.130531 57.9747 395 0.0000 2.144260 58.3483 396 0.0000 2.149029 58.4780 397 0.0000 2.160481 58.7897 398 0.0000 2.169196 59.0268 399 0.0000 2.169435 59.0333 400 0.0000 2.174979 59.1842 401 0.0000 2.180842 59.3437 402 0.0000 2.185240 59.4634 403 0.0000 2.201707 59.9115 404 0.0000 2.213161 60.2232 405 0.0000 2.218003 60.3549 406 0.0000 2.219920 60.4071 407 0.0000 2.233589 60.7791 408 0.0000 2.234461 60.8028 409 0.0000 2.236365 60.8546 410 0.0000 2.244306 61.0707 411 0.0000 2.246239 61.1233 412 0.0000 2.255102 61.3645 413 0.0000 2.256656 61.4067 414 0.0000 2.277244 61.9670 415 0.0000 2.278619 62.0044 416 0.0000 2.281869 62.0928 417 0.0000 2.301965 62.6396 418 0.0000 2.315879 63.0183 419 0.0000 2.317873 63.0725 420 0.0000 2.318272 63.0834 421 0.0000 2.323655 63.2299 422 0.0000 2.338346 63.6296 423 0.0000 2.342343 63.7384 424 0.0000 2.347082 63.8673 425 0.0000 2.353716 64.0479 426 0.0000 2.359191 64.1969 427 0.0000 2.376504 64.6680 428 0.0000 2.388982 65.0075 429 0.0000 2.390317 65.0438 430 0.0000 2.397302 65.2339 431 0.0000 2.421615 65.8955 432 0.0000 2.423085 65.9355 433 0.0000 2.431310 66.1593 434 0.0000 2.431734 66.1708 435 0.0000 2.438063 66.3431 436 0.0000 2.451190 66.7003 437 0.0000 2.459007 66.9130 438 0.0000 2.465524 67.0903 439 0.0000 2.512385 68.3655 440 0.0000 2.514265 68.4166 441 0.0000 2.520521 68.5869 442 0.0000 2.545908 69.2777 443 0.0000 2.549895 69.3862 444 0.0000 2.555899 69.5496 445 0.0000 2.560389 69.6717 446 0.0000 2.560450 69.6734 447 0.0000 2.585062 70.3431 448 0.0000 2.599156 70.7266 449 0.0000 2.605066 70.8875 450 0.0000 2.608449 70.9795 451 0.0000 2.612819 71.0984 452 0.0000 2.624110 71.4057 453 0.0000 2.633894 71.6719 454 0.0000 2.644421 71.9584 455 0.0000 2.644863 71.9704 456 0.0000 2.666596 72.5618 457 0.0000 2.679300 72.9075 458 0.0000 2.691092 73.2283 459 0.0000 2.694913 73.3323 460 0.0000 2.709167 73.7202 461 0.0000 2.711322 73.7788 462 0.0000 2.715438 73.8908 463 0.0000 2.718617 73.9773 464 0.0000 2.723368 74.1066 465 0.0000 2.751149 74.8626 466 0.0000 2.752020 74.8863 467 0.0000 2.757438 75.0337 468 0.0000 2.758960 75.0751 469 0.0000 2.772936 75.4554 470 0.0000 2.777785 75.5874 471 0.0000 2.787389 75.8487 472 0.0000 2.795478 76.0688 473 0.0000 2.803643 76.2910 474 0.0000 2.810521 76.4782 475 0.0000 2.824382 76.8553 476 0.0000 2.895045 78.7782 477 0.0000 2.916378 79.3587 478 0.0000 2.927366 79.6577 479 0.0000 2.929923 79.7273 480 0.0000 2.938638 79.9644 481 0.0000 2.948309 80.2276 482 0.0000 2.979940 81.0883 483 0.0000 2.984581 81.2146 484 0.0000 2.997680 81.5710 485 0.0000 3.001517 81.6754 486 0.0000 3.009987 81.9059 487 0.0000 3.010660 81.9242 488 0.0000 3.013597 82.0042 489 0.0000 3.015750 82.0627 490 0.0000 3.050001 82.9948 491 0.0000 3.050888 83.0189 492 0.0000 3.052159 83.0535 493 0.0000 3.062106 83.3241 494 0.0000 3.074035 83.6487 495 0.0000 3.087819 84.0238 496 0.0000 3.093023 84.1654 497 0.0000 3.097015 84.2741 498 0.0000 3.105143 84.4952 499 0.0000 3.114205 84.7418 500 0.0000 3.126322 85.0715 501 0.0000 3.131046 85.2001 502 0.0000 3.137745 85.3824 503 0.0000 3.140623 85.4607 504 0.0000 3.141729 85.4908 505 0.0000 3.144962 85.5788 506 0.0000 3.149032 85.6895 507 0.0000 3.168130 86.2092 508 0.0000 3.187724 86.7424 509 0.0000 3.200015 87.0768 510 0.0000 3.200300 87.0846 511 0.0000 3.212862 87.4264 512 0.0000 3.222801 87.6969 513 0.0000 3.246992 88.3551 514 0.0000 3.253898 88.5431 515 0.0000 3.256706 88.6195 516 0.0000 3.269122 88.9573 517 0.0000 3.272408 89.0468 518 0.0000 3.278125 89.2023 519 0.0000 3.282390 89.3184 520 0.0000 3.287494 89.4573 521 0.0000 3.293336 89.6162 522 0.0000 3.294175 89.6391 523 0.0000 3.295448 89.6737 524 0.0000 3.297527 89.7303 525 0.0000 3.309664 90.0605 526 0.0000 3.328197 90.5648 527 0.0000 3.351851 91.2085 528 0.0000 3.357693 91.3675 529 0.0000 3.382127 92.0323 530 0.0000 3.383155 92.0603 531 0.0000 3.398790 92.4858 532 0.0000 3.400400 92.5296 533 0.0000 3.421939 93.1157 534 0.0000 3.433850 93.4398 535 0.0000 3.442280 93.6692 536 0.0000 3.444070 93.7179 537 0.0000 3.457226 94.0759 538 0.0000 3.470186 94.4286 539 0.0000 3.481088 94.7252 540 0.0000 3.496458 95.1435 541 0.0000 3.506914 95.4280 542 0.0000 3.511006 95.5393 543 0.0000 3.528670 96.0200 544 0.0000 3.529850 96.0521 545 0.0000 3.545114 96.4674 546 0.0000 3.572229 97.2053 547 0.0000 3.587153 97.6114 548 0.0000 3.625128 98.6447 549 0.0000 3.633403 98.8699 550 0.0000 3.670508 99.8796 551 0.0000 3.676320 100.0377 552 0.0000 3.678289 100.0913 553 0.0000 3.694384 100.5293 554 0.0000 3.702042 100.7377 555 0.0000 3.710103 100.9570 556 0.0000 3.733025 101.5808 557 0.0000 3.743987 101.8791 558 0.0000 3.749319 102.0242 559 0.0000 3.754644 102.1691 560 0.0000 3.761129 102.3455 561 0.0000 3.814011 103.7845 562 0.0000 3.816750 103.8590 563 0.0000 3.827460 104.1505 564 0.0000 3.834009 104.3287 565 0.0000 3.844743 104.6208 566 0.0000 3.862276 105.0979 567 0.0000 3.866584 105.2151 568 0.0000 3.874058 105.4185 569 0.0000 3.899845 106.1202 570 0.0000 3.902194 106.1841 571 0.0000 3.922132 106.7266 572 0.0000 3.924532 106.7919 573 0.0000 3.932173 106.9999 574 0.0000 3.938076 107.1605 575 0.0000 3.946314 107.3847 576 0.0000 3.950574 107.5006 577 0.0000 3.983512 108.3969 578 0.0000 3.998176 108.7959 579 0.0000 3.999347 108.8278 580 0.0000 4.038378 109.8899 581 0.0000 4.050495 110.2196 582 0.0000 4.086167 111.1903 583 0.0000 4.120885 112.1350 584 0.0000 4.141082 112.6846 585 0.0000 4.147018 112.8461 586 0.0000 4.164606 113.3247 587 0.0000 4.189452 114.0008 588 0.0000 4.196356 114.1887 589 0.0000 4.276923 116.3810 590 0.0000 4.398238 119.6821 591 0.0000 4.400260 119.7372 592 0.0000 4.409474 119.9879 593 0.0000 4.416430 120.1772 594 0.0000 4.449532 121.0779 595 0.0000 4.451688 121.1366 596 0.0000 4.453002 121.1724 597 0.0000 4.463794 121.4660 598 0.0000 4.469327 121.6166 599 0.0000 4.479520 121.8939 600 0.0000 4.482257 121.9684 601 0.0000 4.487577 122.1132 602 0.0000 4.526264 123.1659 603 0.0000 4.532571 123.3375 604 0.0000 4.546328 123.7119 605 0.0000 4.547591 123.7462 606 0.0000 4.573755 124.4582 607 0.0000 4.592606 124.9712 608 0.0000 4.616070 125.6097 609 0.0000 4.634027 126.0983 610 0.0000 4.763327 129.6167 611 0.0000 4.765235 129.6686 612 0.0000 4.830810 131.4530 613 0.0000 4.861908 132.2992 614 0.0000 5.123498 139.4175 615 0.0000 5.126723 139.5052 616 0.0000 5.153604 140.2367 617 0.0000 5.153931 140.2456 618 0.0000 5.154714 140.2669 619 0.0000 5.169586 140.6716 620 0.0000 5.171358 140.7198 621 0.0000 5.172314 140.7458 622 0.0000 5.177330 140.8823 623 0.0000 5.179887 140.9519 624 0.0000 5.181695 141.0011 625 0.0000 5.192608 141.2981 626 0.0000 5.203489 141.5941 627 0.0000 5.205415 141.6466 628 0.0000 5.209655 141.7619 629 0.0000 5.217516 141.9758 630 0.0000 5.229424 142.2999 631 0.0000 5.230539 142.3302 632 0.0000 5.265678 143.2864 633 0.0000 5.276971 143.5937 634 0.0000 5.305382 144.3668 635 0.0000 5.309522 144.4794 636 0.0000 5.315869 144.6521 637 0.0000 5.389151 146.6463 638 0.0000 5.404475 147.0632 639 0.0000 5.408261 147.1663 640 0.0000 5.437498 147.9619 641 0.0000 5.444430 148.1505 642 0.0000 5.466003 148.7375 643 0.0000 5.467041 148.7657 644 0.0000 5.477547 149.0516 645 0.0000 5.479079 149.0933 646 0.0000 5.490142 149.3944 647 0.0000 5.491639 149.4351 648 0.0000 5.493511 149.4860 649 0.0000 5.500277 149.6701 650 0.0000 5.533588 150.5766 651 0.0000 5.535089 150.6174 652 0.0000 5.567307 151.4941 653 0.0000 5.568809 151.5350 654 0.0000 5.582201 151.8994 655 0.0000 5.604392 152.5033 656 0.0000 5.704115 155.2169 657 0.0000 5.705875 155.2647 658 0.0000 5.783696 157.3824 659 0.0000 5.817819 158.3109 660 0.0000 5.928327 161.3180 661 0.0000 5.978493 162.6831 662 0.0000 5.982118 162.7817 663 0.0000 5.991390 163.0340 664 0.0000 5.992230 163.0569 665 0.0000 5.993971 163.1043 666 0.0000 6.002062 163.3244 667 0.0000 6.006508 163.4454 668 0.0000 6.020134 163.8162 669 0.0000 6.023599 163.9105 670 0.0000 6.030389 164.0952 671 0.0000 6.049700 164.6207 672 0.0000 6.051077 164.6582 673 0.0000 6.052161 164.6877 674 0.0000 6.053801 164.7323 675 0.0000 6.082251 165.5065 676 0.0000 6.084964 165.5803 677 0.0000 6.094350 165.8357 678 0.0000 6.105028 166.1263 679 0.0000 6.108876 166.2310 680 0.0000 6.235582 169.6788 681 0.0000 6.237537 169.7320 682 0.0000 6.290511 171.1735 683 0.0000 6.306864 171.6185 684 0.0000 6.309501 171.6902 685 0.0000 6.311642 171.7485 686 0.0000 6.350282 172.8000 687 0.0000 6.378798 173.5759 688 0.0000 6.381398 173.6467 689 0.0000 6.404877 174.2856 690 0.0000 6.412838 174.5022 691 0.0000 6.420440 174.7090 692 0.0000 6.423692 174.7976 693 0.0000 6.425474 174.8460 694 0.0000 6.453963 175.6213 695 0.0000 6.487542 176.5350 696 0.0000 6.497674 176.8107 697 0.0000 6.503826 176.9781 698 0.0000 6.509179 177.1238 699 0.0000 6.514493 177.2684 700 0.0000 6.551778 178.2829 701 0.0000 6.564540 178.6302 702 0.0000 6.571333 178.8151 703 0.0000 6.613976 179.9754 704 0.0000 6.713308 182.6784 705 0.0000 6.725902 183.0211 706 0.0000 6.728822 183.1006 707 0.0000 6.729939 183.1309 708 0.0000 6.777342 184.4208 709 0.0000 6.782330 184.5566 710 0.0000 6.782548 184.5625 711 0.0000 6.785189 184.6344 712 0.0000 6.789738 184.7582 713 0.0000 6.790978 184.7919 714 0.0000 6.792104 184.8225 715 0.0000 6.793181 184.8519 716 0.0000 6.845645 186.2795 717 0.0000 6.870511 186.9561 718 0.0000 6.873345 187.0332 719 0.0000 6.891814 187.5358 720 0.0000 6.935597 188.7272 721 0.0000 6.938689 188.8113 722 0.0000 7.006203 190.6485 723 0.0000 7.015391 190.8985 724 0.0000 7.018839 190.9923 725 0.0000 7.020038 191.0249 726 0.0000 7.055891 192.0005 727 0.0000 7.076474 192.5607 728 0.0000 7.108927 193.4437 729 0.0000 7.112661 193.5453 730 0.0000 7.128759 193.9834 731 0.0000 7.161382 194.8711 732 0.0000 7.168011 195.0515 733 0.0000 7.169911 195.1032 734 0.0000 7.187056 195.5697 735 0.0000 7.231026 196.7662 736 0.0000 7.232430 196.8044 737 0.0000 7.233085 196.8222 738 0.0000 7.234619 196.8640 739 0.0000 7.238683 196.9746 740 0.0000 14.118988 384.1972 741 0.0000 14.150945 385.0668 742 0.0000 14.203719 386.5028 743 0.0000 14.213984 386.7822 744 0.0000 14.224879 387.0786 745 0.0000 14.228838 387.1864 746 0.0000 14.359865 390.7518 747 0.0000 14.420548 392.4031 748 0.0000 14.441063 392.9613 749 0.0000 14.511239 394.8709 750 0.0000 22.341428 607.9412 751 0.0000 22.346525 608.0799 752 0.0000 22.348106 608.1229 753 0.0000 22.350155 608.1786 754 0.0000 23.305809 634.1833 755 0.0000 23.320693 634.5883 756 0.0000 23.322524 634.6381 757 0.0000 23.372864 636.0080 758 0.0000 43.516343 1184.1399 759 0.0000 43.660266 1188.0562 760 0.0000 43.850105 1193.2220 761 0.0000 43.918957 1195.0956 762 0.0000 43.921986 1195.1780 763 0.0000 43.943590 1195.7659 764 0.0000 43.967507 1196.4167 765 0.0000 44.152745 1201.4573 766 0.0000 44.158889 1201.6245 767 0.0000 44.179354 1202.1813 768 0.0000 45.331924 1233.5444 769 0.0000 45.948041 1250.3098 SPIN DOWN ORBITALS NO OCC E(Eh) E(eV) 0 1.0000 -824.225243 -22428.3091 1 1.0000 -824.225233 -22428.3088 2 1.0000 -117.548084 -3198.6460 3 1.0000 -117.548023 -3198.6443 4 1.0000 -108.878777 -2962.7422 5 1.0000 -108.878740 -2962.7411 6 1.0000 -108.878736 -2962.7410 7 1.0000 -108.878698 -2962.7400 8 1.0000 -108.877929 -2962.7191 9 1.0000 -108.877852 -2962.7170 10 1.0000 -21.101231 -574.1937 11 1.0000 -21.101189 -574.1926 12 1.0000 -19.082302 -519.2558 13 1.0000 -19.082254 -519.2545 14 1.0000 -19.066905 -518.8369 15 1.0000 -19.066848 -518.8353 16 1.0000 -19.065929 -518.8103 17 1.0000 -19.065915 -518.8099 18 1.0000 -19.065138 -518.7888 19 1.0000 -19.065123 -518.7884 20 1.0000 -19.064665 -518.7759 21 1.0000 -19.064576 -518.7735 22 1.0000 -17.657470 -480.4842 23 1.0000 -17.657432 -480.4832 24 1.0000 -17.657374 -480.4816 25 1.0000 -17.657338 -480.4806 26 1.0000 -17.651986 -480.3349 27 1.0000 -17.651936 -480.3336 28 1.0000 -11.341813 -308.6264 29 1.0000 -11.341766 -308.6251 30 1.0000 -11.340086 -308.5794 31 1.0000 -11.340029 -308.5779 32 1.0000 -11.339397 -308.5607 33 1.0000 -11.339363 -308.5598 34 1.0000 -11.337856 -308.5188 35 1.0000 -11.337797 -308.5171 36 1.0000 -11.333405 -308.3976 37 1.0000 -11.333273 -308.3940 38 1.0000 -10.241135 -278.6755 39 1.0000 -10.241046 -278.6730 40 1.0000 -10.240950 -278.6704 41 1.0000 -10.240933 -278.6700 42 1.0000 -10.118170 -275.3294 43 1.0000 -10.118154 -275.3290 44 1.0000 -10.118112 -275.3278 45 1.0000 -10.118061 -275.3264 46 1.0000 -2.919322 -79.4388 47 1.0000 -2.916066 -79.3502 48 1.0000 -1.871575 -50.9281 49 1.0000 -1.871372 -50.9226 50 1.0000 -1.869929 -50.8834 51 1.0000 -1.869189 -50.8632 52 1.0000 -1.868794 -50.8525 53 1.0000 -1.848269 -50.2940 54 1.0000 -1.056532 -28.7497 55 1.0000 -1.051369 -28.6092 56 1.0000 -1.051212 -28.6049 57 1.0000 -1.051129 -28.6027 58 1.0000 -1.009985 -27.4831 59 1.0000 -1.009946 -27.4820 60 1.0000 -0.972996 -26.4766 61 1.0000 -0.968712 -26.3600 62 1.0000 -0.967553 -26.3284 63 1.0000 -0.967295 -26.3214 64 1.0000 -0.721331 -19.6284 65 1.0000 -0.719847 -19.5880 66 1.0000 -0.718923 -19.5629 67 1.0000 -0.718864 -19.5613 68 1.0000 -0.547862 -14.9081 69 1.0000 -0.542187 -14.7537 70 1.0000 -0.535124 -14.5615 71 1.0000 -0.532433 -14.4883 72 1.0000 -0.524771 -14.2797 73 1.0000 -0.521646 -14.1947 74 1.0000 -0.493371 -13.4253 75 1.0000 -0.487701 -13.2710 76 1.0000 -0.467374 -12.7179 77 1.0000 -0.466092 -12.6830 78 1.0000 -0.458762 -12.4836 79 1.0000 -0.454446 -12.3661 80 1.0000 -0.453639 -12.3441 81 1.0000 -0.452158 -12.3038 82 1.0000 -0.444368 -12.0919 83 1.0000 -0.442337 -12.0366 84 1.0000 -0.442205 -12.0330 85 1.0000 -0.434624 -11.8267 86 1.0000 -0.410262 -11.1638 87 1.0000 -0.406741 -11.0680 88 1.0000 -0.387580 -10.5466 89 1.0000 -0.386916 -10.5285 90 1.0000 -0.386483 -10.5167 91 1.0000 -0.386435 -10.5154 92 1.0000 -0.379615 -10.3298 93 1.0000 -0.366876 -9.9832 94 1.0000 -0.366678 -9.9778 95 1.0000 -0.357085 -9.7168 96 1.0000 -0.346648 -9.4328 97 1.0000 -0.342467 -9.3190 98 1.0000 -0.338036 -9.1984 99 1.0000 -0.335967 -9.1421 100 1.0000 -0.330761 -9.0005 101 1.0000 -0.307187 -8.3590 102 1.0000 -0.302608 -8.2344 103 1.0000 -0.302386 -8.2283 104 1.0000 -0.301145 -8.1946 105 1.0000 -0.301013 -8.1910 106 1.0000 -0.300451 -8.1757 107 1.0000 -0.286976 -7.8090 108 1.0000 -0.286205 -7.7880 109 1.0000 -0.281598 -7.6627 110 1.0000 -0.251065 -6.8318 111 1.0000 -0.249178 -6.7805 112 1.0000 -0.241164 -6.5624 113 1.0000 -0.240340 -6.5400 114 1.0000 -0.201522 -5.4837 115 1.0000 -0.200095 -5.4449 116 1.0000 -0.198431 -5.3996 117 0.0000 -0.085674 -2.3313 118 0.0000 -0.077502 -2.1089 119 0.0000 -0.063388 -1.7249 120 0.0000 -0.016003 -0.4355 121 0.0000 -0.015638 -0.4255 122 0.0000 -0.009642 -0.2624 123 0.0000 -0.003477 -0.0946 124 0.0000 0.008144 0.2216 125 0.0000 0.020453 0.5565 126 0.0000 0.047118 1.2822 127 0.0000 0.054475 1.4824 128 0.0000 0.055090 1.4991 129 0.0000 0.072649 1.9769 130 0.0000 0.104050 2.8313 131 0.0000 0.106695 2.9033 132 0.0000 0.112174 3.0524 133 0.0000 0.113635 3.0922 134 0.0000 0.118354 3.2206 135 0.0000 0.118980 3.2376 136 0.0000 0.121641 3.3100 137 0.0000 0.123781 3.3683 138 0.0000 0.125373 3.4116 139 0.0000 0.130124 3.5409 140 0.0000 0.134543 3.6611 141 0.0000 0.135350 3.6831 142 0.0000 0.141094 3.8394 143 0.0000 0.148246 4.0340 144 0.0000 0.149213 4.0603 145 0.0000 0.150018 4.0822 146 0.0000 0.161893 4.4053 147 0.0000 0.163036 4.4364 148 0.0000 0.164165 4.4672 149 0.0000 0.187164 5.0930 150 0.0000 0.197854 5.3839 151 0.0000 0.198968 5.4142 152 0.0000 0.205649 5.5960 153 0.0000 0.213097 5.7987 154 0.0000 0.219440 5.9713 155 0.0000 0.221241 6.0203 156 0.0000 0.227569 6.1925 157 0.0000 0.231214 6.2917 158 0.0000 0.236345 6.4313 159 0.0000 0.248078 6.7505 160 0.0000 0.255396 6.9497 161 0.0000 0.256075 6.9681 162 0.0000 0.261246 7.1089 163 0.0000 0.263078 7.1587 164 0.0000 0.273045 7.4299 165 0.0000 0.278268 7.5721 166 0.0000 0.290459 7.9038 167 0.0000 0.303575 8.2607 168 0.0000 0.315483 8.5847 169 0.0000 0.319175 8.6852 170 0.0000 0.321804 8.7567 171 0.0000 0.322319 8.7707 172 0.0000 0.352078 9.5805 173 0.0000 0.364899 9.9294 174 0.0000 0.366732 9.9793 175 0.0000 0.374242 10.1837 176 0.0000 0.385519 10.4905 177 0.0000 0.389507 10.5990 178 0.0000 0.390605 10.6289 179 0.0000 0.393447 10.7063 180 0.0000 0.394830 10.7439 181 0.0000 0.396021 10.7763 182 0.0000 0.397850 10.8260 183 0.0000 0.400000 10.8846 184 0.0000 0.402130 10.9425 185 0.0000 0.403569 10.9817 186 0.0000 0.404882 11.0174 187 0.0000 0.406589 11.0638 188 0.0000 0.410969 11.1830 189 0.0000 0.412913 11.2359 190 0.0000 0.413634 11.2556 191 0.0000 0.420488 11.4421 192 0.0000 0.437035 11.8923 193 0.0000 0.440597 11.9892 194 0.0000 0.444307 12.0902 195 0.0000 0.446393 12.1470 196 0.0000 0.447702 12.1826 197 0.0000 0.456024 12.4090 198 0.0000 0.457953 12.4615 199 0.0000 0.462368 12.5817 200 0.0000 0.466073 12.6825 201 0.0000 0.480883 13.0855 202 0.0000 0.495629 13.4868 203 0.0000 0.500230 13.6119 204 0.0000 0.505332 13.7508 205 0.0000 0.505411 13.7529 206 0.0000 0.508248 13.8301 207 0.0000 0.511353 13.9146 208 0.0000 0.511725 13.9247 209 0.0000 0.518070 14.0974 210 0.0000 0.521399 14.1880 211 0.0000 0.531525 14.4635 212 0.0000 0.539511 14.6808 213 0.0000 0.545299 14.8383 214 0.0000 0.555204 15.1079 215 0.0000 0.562503 15.3065 216 0.0000 0.575989 15.6734 217 0.0000 0.582025 15.8377 218 0.0000 0.586289 15.9537 219 0.0000 0.591621 16.0988 220 0.0000 0.610052 16.6004 221 0.0000 0.611374 16.6363 222 0.0000 0.616104 16.7650 223 0.0000 0.627358 17.0713 224 0.0000 0.638440 17.3728 225 0.0000 0.649682 17.6787 226 0.0000 0.652288 17.7497 227 0.0000 0.654844 17.8192 228 0.0000 0.659638 17.9497 229 0.0000 0.660046 17.9608 230 0.0000 0.667325 18.1588 231 0.0000 0.668358 18.1869 232 0.0000 0.684053 18.6140 233 0.0000 0.698374 19.0037 234 0.0000 0.716787 19.5048 235 0.0000 0.729260 19.8442 236 0.0000 0.743734 20.2380 237 0.0000 0.751524 20.4500 238 0.0000 0.752340 20.4722 239 0.0000 0.767723 20.8908 240 0.0000 0.768141 20.9022 241 0.0000 0.774967 21.0879 242 0.0000 0.782402 21.2902 243 0.0000 0.783662 21.3245 244 0.0000 0.795607 21.6496 245 0.0000 0.811368 22.0784 246 0.0000 0.813626 22.1399 247 0.0000 0.819185 22.2912 248 0.0000 0.822697 22.3867 249 0.0000 0.831131 22.6162 250 0.0000 0.841497 22.8983 251 0.0000 0.848187 23.0804 252 0.0000 0.850164 23.1341 253 0.0000 0.863109 23.4864 254 0.0000 0.864305 23.5189 255 0.0000 0.893585 24.3157 256 0.0000 0.896888 24.4056 257 0.0000 0.906792 24.6751 258 0.0000 0.915260 24.9055 259 0.0000 0.916362 24.9355 260 0.0000 0.935480 25.4557 261 0.0000 0.942602 25.6495 262 0.0000 0.943859 25.6837 263 0.0000 0.952314 25.9138 264 0.0000 0.962746 26.1977 265 0.0000 0.966833 26.3089 266 0.0000 0.969972 26.3943 267 0.0000 0.974030 26.5047 268 0.0000 0.981852 26.7176 269 0.0000 1.000351 27.2209 270 0.0000 1.005821 27.3698 271 0.0000 1.013223 27.5712 272 0.0000 1.023963 27.8634 273 0.0000 1.028318 27.9820 274 0.0000 1.034993 28.1636 275 0.0000 1.039972 28.2991 276 0.0000 1.040655 28.3177 277 0.0000 1.044424 28.4202 278 0.0000 1.063778 28.9469 279 0.0000 1.068935 29.0872 280 0.0000 1.077486 29.3199 281 0.0000 1.083312 29.4784 282 0.0000 1.086632 29.5688 283 0.0000 1.096085 29.8260 284 0.0000 1.101767 29.9806 285 0.0000 1.144127 31.1333 286 0.0000 1.147308 31.2198 287 0.0000 1.149912 31.2907 288 0.0000 1.160848 31.5883 289 0.0000 1.180292 32.1174 290 0.0000 1.216274 33.0965 291 0.0000 1.222809 33.2743 292 0.0000 1.243592 33.8399 293 0.0000 1.253110 34.0989 294 0.0000 1.253909 34.1206 295 0.0000 1.260803 34.3082 296 0.0000 1.291651 35.1476 297 0.0000 1.299371 35.3577 298 0.0000 1.316383 35.8206 299 0.0000 1.327545 36.1243 300 0.0000 1.351033 36.7635 301 0.0000 1.386855 37.7382 302 0.0000 1.389047 37.7979 303 0.0000 1.410416 38.3794 304 0.0000 1.424286 38.7568 305 0.0000 1.429338 38.8943 306 0.0000 1.434520 39.0353 307 0.0000 1.441350 39.2211 308 0.0000 1.442937 39.2643 309 0.0000 1.446846 39.3707 310 0.0000 1.453787 39.5596 311 0.0000 1.459762 39.7221 312 0.0000 1.466597 39.9081 313 0.0000 1.472665 40.0732 314 0.0000 1.472966 40.0815 315 0.0000 1.479479 40.2587 316 0.0000 1.489280 40.5254 317 0.0000 1.496079 40.7104 318 0.0000 1.512507 41.1574 319 0.0000 1.522904 41.4403 320 0.0000 1.523450 41.4552 321 0.0000 1.529299 41.6143 322 0.0000 1.532857 41.7111 323 0.0000 1.536450 41.8089 324 0.0000 1.537796 41.8456 325 0.0000 1.540317 41.9141 326 0.0000 1.542457 41.9724 327 0.0000 1.550210 42.1834 328 0.0000 1.554736 42.3065 329 0.0000 1.556903 42.3655 330 0.0000 1.562569 42.5197 331 0.0000 1.569261 42.7018 332 0.0000 1.572833 42.7990 333 0.0000 1.580084 42.9963 334 0.0000 1.583772 43.0966 335 0.0000 1.596348 43.4389 336 0.0000 1.600149 43.5423 337 0.0000 1.602739 43.6127 338 0.0000 1.610126 43.8137 339 0.0000 1.610442 43.8224 340 0.0000 1.635970 44.5170 341 0.0000 1.639807 44.6214 342 0.0000 1.644232 44.7418 343 0.0000 1.647670 44.8354 344 0.0000 1.652911 44.9780 345 0.0000 1.720009 46.8038 346 0.0000 1.724849 46.9355 347 0.0000 1.742996 47.4293 348 0.0000 1.744666 47.4748 349 0.0000 1.753713 47.7210 350 0.0000 1.792274 48.7702 351 0.0000 1.794005 48.8174 352 0.0000 1.804367 49.0993 353 0.0000 1.810816 49.2748 354 0.0000 1.815575 49.4043 355 0.0000 1.821989 49.5788 356 0.0000 1.832421 49.8627 357 0.0000 1.834421 49.9171 358 0.0000 1.854761 50.4706 359 0.0000 1.863543 50.7096 360 0.0000 1.864460 50.7345 361 0.0000 1.869281 50.8657 362 0.0000 1.879308 51.1386 363 0.0000 1.888956 51.4011 364 0.0000 1.894904 51.5630 365 0.0000 1.895300 51.5737 366 0.0000 1.898633 51.6644 367 0.0000 1.902339 51.7653 368 0.0000 1.914351 52.0921 369 0.0000 1.927861 52.4598 370 0.0000 1.945516 52.9402 371 0.0000 1.954900 53.1955 372 0.0000 1.964187 53.4482 373 0.0000 1.972500 53.6744 374 0.0000 1.983123 53.9635 375 0.0000 1.983775 53.9813 376 0.0000 1.989094 54.1260 377 0.0000 2.005629 54.5759 378 0.0000 2.016109 54.8611 379 0.0000 2.031903 55.2909 380 0.0000 2.042226 55.5718 381 0.0000 2.051342 55.8198 382 0.0000 2.069674 56.3187 383 0.0000 2.074252 56.4433 384 0.0000 2.074548 56.4513 385 0.0000 2.079560 56.5877 386 0.0000 2.094375 56.9908 387 0.0000 2.099804 57.1386 388 0.0000 2.105584 57.2959 389 0.0000 2.108504 57.3753 390 0.0000 2.112989 57.4974 391 0.0000 2.118984 57.6605 392 0.0000 2.120926 57.7133 393 0.0000 2.126974 57.8779 394 0.0000 2.130533 57.9747 395 0.0000 2.144266 58.3484 396 0.0000 2.149022 58.4779 397 0.0000 2.160485 58.7898 398 0.0000 2.169189 59.0266 399 0.0000 2.169441 59.0335 400 0.0000 2.174989 59.1845 401 0.0000 2.180837 59.3436 402 0.0000 2.185233 59.4632 403 0.0000 2.201706 59.9115 404 0.0000 2.213161 60.2232 405 0.0000 2.218006 60.3550 406 0.0000 2.219917 60.4070 407 0.0000 2.233589 60.7790 408 0.0000 2.234461 60.8028 409 0.0000 2.236365 60.8546 410 0.0000 2.244303 61.0706 411 0.0000 2.246247 61.1235 412 0.0000 2.255127 61.3651 413 0.0000 2.256626 61.4059 414 0.0000 2.277246 61.9670 415 0.0000 2.278621 62.0044 416 0.0000 2.281866 62.0927 417 0.0000 2.301964 62.6396 418 0.0000 2.315879 63.0183 419 0.0000 2.317865 63.0723 420 0.0000 2.318274 63.0834 421 0.0000 2.323660 63.2300 422 0.0000 2.338347 63.6297 423 0.0000 2.342344 63.7384 424 0.0000 2.347081 63.8673 425 0.0000 2.353716 64.0479 426 0.0000 2.359191 64.1968 427 0.0000 2.376504 64.6680 428 0.0000 2.388982 65.0075 429 0.0000 2.390317 65.0438 430 0.0000 2.397302 65.2339 431 0.0000 2.421615 65.8955 432 0.0000 2.423085 65.9355 433 0.0000 2.431310 66.1593 434 0.0000 2.431735 66.1709 435 0.0000 2.438063 66.3431 436 0.0000 2.451190 66.7003 437 0.0000 2.459007 66.9130 438 0.0000 2.465524 67.0903 439 0.0000 2.512385 68.3655 440 0.0000 2.514264 68.4166 441 0.0000 2.520521 68.5869 442 0.0000 2.545909 69.2777 443 0.0000 2.549894 69.3862 444 0.0000 2.555900 69.5496 445 0.0000 2.560388 69.6717 446 0.0000 2.560451 69.6734 447 0.0000 2.585062 70.3431 448 0.0000 2.599156 70.7266 449 0.0000 2.605065 70.8874 450 0.0000 2.608449 70.9795 451 0.0000 2.612820 71.0985 452 0.0000 2.624111 71.4057 453 0.0000 2.633894 71.6719 454 0.0000 2.644426 71.9585 455 0.0000 2.644859 71.9703 456 0.0000 2.666596 72.5618 457 0.0000 2.679300 72.9074 458 0.0000 2.691092 73.2283 459 0.0000 2.694913 73.3323 460 0.0000 2.709169 73.7202 461 0.0000 2.711321 73.7788 462 0.0000 2.715439 73.8908 463 0.0000 2.718615 73.9773 464 0.0000 2.723369 74.1066 465 0.0000 2.751143 74.8624 466 0.0000 2.752025 74.8864 467 0.0000 2.757437 75.0337 468 0.0000 2.758960 75.0751 469 0.0000 2.772936 75.4554 470 0.0000 2.777785 75.5874 471 0.0000 2.787389 75.8487 472 0.0000 2.795478 76.0688 473 0.0000 2.803643 76.2910 474 0.0000 2.810520 76.4781 475 0.0000 2.824382 76.8553 476 0.0000 2.895045 78.7782 477 0.0000 2.916378 79.3587 478 0.0000 2.927366 79.6577 479 0.0000 2.929923 79.7273 480 0.0000 2.938638 79.9644 481 0.0000 2.948309 80.2276 482 0.0000 2.979940 81.0883 483 0.0000 2.984581 81.2146 484 0.0000 2.997680 81.5710 485 0.0000 3.001517 81.6754 486 0.0000 3.009987 81.9059 487 0.0000 3.010660 81.9242 488 0.0000 3.013597 82.0041 489 0.0000 3.015750 82.0627 490 0.0000 3.050002 82.9948 491 0.0000 3.050888 83.0189 492 0.0000 3.052157 83.0534 493 0.0000 3.062106 83.3241 494 0.0000 3.074035 83.6487 495 0.0000 3.087819 84.0238 496 0.0000 3.093022 84.1654 497 0.0000 3.097015 84.2741 498 0.0000 3.105143 84.4952 499 0.0000 3.114205 84.7418 500 0.0000 3.126322 85.0715 501 0.0000 3.131046 85.2001 502 0.0000 3.137745 85.3824 503 0.0000 3.140623 85.4607 504 0.0000 3.141729 85.4908 505 0.0000 3.144963 85.5788 506 0.0000 3.149031 85.6895 507 0.0000 3.168130 86.2092 508 0.0000 3.187724 86.7424 509 0.0000 3.200016 87.0768 510 0.0000 3.200300 87.0846 511 0.0000 3.212862 87.4264 512 0.0000 3.222801 87.6969 513 0.0000 3.246991 88.3551 514 0.0000 3.253898 88.5431 515 0.0000 3.256706 88.6195 516 0.0000 3.269121 88.9573 517 0.0000 3.272408 89.0468 518 0.0000 3.278125 89.2023 519 0.0000 3.282390 89.3184 520 0.0000 3.287494 89.4573 521 0.0000 3.293336 89.6162 522 0.0000 3.294175 89.6390 523 0.0000 3.295448 89.6737 524 0.0000 3.297527 89.7303 525 0.0000 3.309665 90.0606 526 0.0000 3.328197 90.5648 527 0.0000 3.351851 91.2085 528 0.0000 3.357693 91.3675 529 0.0000 3.382126 92.0323 530 0.0000 3.383156 92.0603 531 0.0000 3.398788 92.4857 532 0.0000 3.400401 92.5296 533 0.0000 3.421939 93.1157 534 0.0000 3.433850 93.4398 535 0.0000 3.442279 93.6692 536 0.0000 3.444070 93.7179 537 0.0000 3.457226 94.0759 538 0.0000 3.470186 94.4285 539 0.0000 3.481088 94.7252 540 0.0000 3.496458 95.1435 541 0.0000 3.506914 95.4280 542 0.0000 3.511006 95.5393 543 0.0000 3.528670 96.0200 544 0.0000 3.529849 96.0521 545 0.0000 3.545114 96.4674 546 0.0000 3.572229 97.2053 547 0.0000 3.587153 97.6114 548 0.0000 3.625128 98.6447 549 0.0000 3.633402 98.8699 550 0.0000 3.670508 99.8796 551 0.0000 3.676320 100.0378 552 0.0000 3.678289 100.0913 553 0.0000 3.694385 100.5293 554 0.0000 3.702041 100.7377 555 0.0000 3.710103 100.9570 556 0.0000 3.733024 101.5807 557 0.0000 3.743987 101.8791 558 0.0000 3.749323 102.0243 559 0.0000 3.754642 102.1690 560 0.0000 3.761129 102.3455 561 0.0000 3.814011 103.7845 562 0.0000 3.816750 103.8590 563 0.0000 3.827459 104.1505 564 0.0000 3.834010 104.3287 565 0.0000 3.844743 104.6208 566 0.0000 3.862276 105.0979 567 0.0000 3.866584 105.2151 568 0.0000 3.874058 105.4185 569 0.0000 3.899844 106.1201 570 0.0000 3.902195 106.1841 571 0.0000 3.922132 106.7266 572 0.0000 3.924532 106.7919 573 0.0000 3.932173 106.9999 574 0.0000 3.938076 107.1605 575 0.0000 3.946313 107.3846 576 0.0000 3.950576 107.5006 577 0.0000 3.983512 108.3969 578 0.0000 3.998176 108.7959 579 0.0000 3.999347 108.8278 580 0.0000 4.038379 109.8899 581 0.0000 4.050494 110.2195 582 0.0000 4.086166 111.1902 583 0.0000 4.120884 112.1350 584 0.0000 4.141082 112.6846 585 0.0000 4.147019 112.8461 586 0.0000 4.164605 113.3247 587 0.0000 4.189452 114.0008 588 0.0000 4.196357 114.1887 589 0.0000 4.276924 116.3810 590 0.0000 4.398238 119.6821 591 0.0000 4.400260 119.7372 592 0.0000 4.409475 119.9879 593 0.0000 4.416430 120.1772 594 0.0000 4.449533 121.0779 595 0.0000 4.451688 121.1366 596 0.0000 4.453002 121.1723 597 0.0000 4.463794 121.4660 598 0.0000 4.469327 121.6166 599 0.0000 4.479520 121.8939 600 0.0000 4.482257 121.9684 601 0.0000 4.487577 122.1132 602 0.0000 4.526265 123.1659 603 0.0000 4.532571 123.3375 604 0.0000 4.546328 123.7119 605 0.0000 4.547590 123.7462 606 0.0000 4.573755 124.4582 607 0.0000 4.592606 124.9712 608 0.0000 4.616070 125.6097 609 0.0000 4.634027 126.0983 610 0.0000 4.763327 129.6167 611 0.0000 4.765235 129.6686 612 0.0000 4.830810 131.4530 613 0.0000 4.861907 132.2992 614 0.0000 5.123501 139.4175 615 0.0000 5.126720 139.5052 616 0.0000 5.153604 140.2367 617 0.0000 5.153931 140.2456 618 0.0000 5.154715 140.2669 619 0.0000 5.169586 140.6716 620 0.0000 5.171358 140.7198 621 0.0000 5.172314 140.7458 622 0.0000 5.177330 140.8823 623 0.0000 5.179887 140.9519 624 0.0000 5.181695 141.0011 625 0.0000 5.192608 141.2981 626 0.0000 5.203489 141.5941 627 0.0000 5.205415 141.6466 628 0.0000 5.209655 141.7619 629 0.0000 5.217516 141.9758 630 0.0000 5.229424 142.2999 631 0.0000 5.230539 142.3302 632 0.0000 5.265678 143.2864 633 0.0000 5.276971 143.5937 634 0.0000 5.305382 144.3668 635 0.0000 5.309522 144.4794 636 0.0000 5.315869 144.6521 637 0.0000 5.389151 146.6463 638 0.0000 5.404477 147.0633 639 0.0000 5.408259 147.1662 640 0.0000 5.437500 147.9619 641 0.0000 5.444429 148.1504 642 0.0000 5.466000 148.7374 643 0.0000 5.467044 148.7658 644 0.0000 5.477547 149.0516 645 0.0000 5.479079 149.0933 646 0.0000 5.490142 149.3944 647 0.0000 5.491639 149.4351 648 0.0000 5.493511 149.4860 649 0.0000 5.500277 149.6701 650 0.0000 5.533588 150.5766 651 0.0000 5.535089 150.6174 652 0.0000 5.567307 151.4941 653 0.0000 5.568809 151.5350 654 0.0000 5.582201 151.8994 655 0.0000 5.604392 152.5033 656 0.0000 5.704115 155.2169 657 0.0000 5.705875 155.2647 658 0.0000 5.783696 157.3824 659 0.0000 5.817819 158.3109 660 0.0000 5.928327 161.3180 661 0.0000 5.978493 162.6831 662 0.0000 5.982118 162.7817 663 0.0000 5.991390 163.0340 664 0.0000 5.992230 163.0569 665 0.0000 5.993971 163.1043 666 0.0000 6.002061 163.3244 667 0.0000 6.006509 163.4454 668 0.0000 6.020134 163.8162 669 0.0000 6.023599 163.9105 670 0.0000 6.030389 164.0952 671 0.0000 6.049700 164.6207 672 0.0000 6.051077 164.6582 673 0.0000 6.052161 164.6877 674 0.0000 6.053801 164.7323 675 0.0000 6.082252 165.5065 676 0.0000 6.084964 165.5803 677 0.0000 6.094350 165.8357 678 0.0000 6.105028 166.1263 679 0.0000 6.108876 166.2310 680 0.0000 6.235601 169.6793 681 0.0000 6.237518 169.7315 682 0.0000 6.290511 171.1735 683 0.0000 6.306864 171.6185 684 0.0000 6.309501 171.6902 685 0.0000 6.311642 171.7485 686 0.0000 6.350282 172.8000 687 0.0000 6.378798 173.5759 688 0.0000 6.381398 173.6467 689 0.0000 6.404878 174.2856 690 0.0000 6.412838 174.5022 691 0.0000 6.420438 174.7090 692 0.0000 6.423692 174.7976 693 0.0000 6.425474 174.8460 694 0.0000 6.453963 175.6213 695 0.0000 6.487542 176.5350 696 0.0000 6.497675 176.8107 697 0.0000 6.503826 176.9781 698 0.0000 6.509179 177.1238 699 0.0000 6.514493 177.2684 700 0.0000 6.551778 178.2829 701 0.0000 6.564540 178.6302 702 0.0000 6.571333 178.8151 703 0.0000 6.613976 179.9754 704 0.0000 6.713308 182.6784 705 0.0000 6.725902 183.0211 706 0.0000 6.728822 183.1006 707 0.0000 6.729939 183.1309 708 0.0000 6.777342 184.4208 709 0.0000 6.782329 184.5566 710 0.0000 6.782549 184.5625 711 0.0000 6.785189 184.6344 712 0.0000 6.789738 184.7582 713 0.0000 6.790978 184.7919 714 0.0000 6.792104 184.8225 715 0.0000 6.793181 184.8519 716 0.0000 6.845645 186.2795 717 0.0000 6.870511 186.9561 718 0.0000 6.873345 187.0332 719 0.0000 6.891814 187.5358 720 0.0000 6.935601 188.7273 721 0.0000 6.938685 188.8112 722 0.0000 7.006203 190.6485 723 0.0000 7.015391 190.8985 724 0.0000 7.018839 190.9923 725 0.0000 7.020038 191.0249 726 0.0000 7.055890 192.0005 727 0.0000 7.076475 192.5607 728 0.0000 7.108926 193.4437 729 0.0000 7.112661 193.5453 730 0.0000 7.128759 193.9834 731 0.0000 7.161382 194.8711 732 0.0000 7.168011 195.0515 733 0.0000 7.169911 195.1032 734 0.0000 7.187056 195.5697 735 0.0000 7.231026 196.7662 736 0.0000 7.232431 196.8045 737 0.0000 7.233084 196.8222 738 0.0000 7.234619 196.8640 739 0.0000 7.238683 196.9746 740 0.0000 14.118988 384.1972 741 0.0000 14.150945 385.0668 742 0.0000 14.203719 386.5028 743 0.0000 14.213984 386.7822 744 0.0000 14.224879 387.0786 745 0.0000 14.228838 387.1864 746 0.0000 14.359865 390.7518 747 0.0000 14.420547 392.4030 748 0.0000 14.441064 392.9613 749 0.0000 14.511239 394.8709 750 0.0000 22.341428 607.9412 751 0.0000 22.346525 608.0799 752 0.0000 22.348106 608.1229 753 0.0000 22.350155 608.1786 754 0.0000 23.305809 634.1833 755 0.0000 23.320693 634.5883 756 0.0000 23.322524 634.6381 757 0.0000 23.372864 636.0080 758 0.0000 43.516343 1184.1399 759 0.0000 43.660265 1188.0562 760 0.0000 43.850105 1193.2220 761 0.0000 43.918957 1195.0956 762 0.0000 43.921986 1195.1780 763 0.0000 43.943590 1195.7659 764 0.0000 43.967507 1196.4167 765 0.0000 44.152745 1201.4573 766 0.0000 44.158889 1201.6245 767 0.0000 44.179354 1202.1813 768 0.0000 45.331924 1233.5444 769 0.0000 45.948042 1250.3098 ------------------ MOLECULAR ORBITALS ------------------ 0 1 2 3 4 5 -824.22524 -824.22523 -117.54807 -117.54804 -108.87876 -108.87875 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s 0.083017 0.992942 0.333028 0.005182 -0.000003 -0.000000 0Rh 2s 0.000493 0.006054 -1.060312 -0.016470 0.000008 -0.000002 0Rh 3s -0.000562 -0.006502 -0.067621 -0.001023 -0.000000 -0.000003 0Rh 4s 0.000688 0.007689 0.037228 0.000505 0.000002 0.000008 0Rh 5s -0.000291 -0.002794 -0.007529 -0.000013 -0.000002 -0.000011 0Rh 6s 0.000182 0.001348 0.003008 -0.000086 0.000001 0.000013 0Rh 7s -0.000321 -0.001157 -0.002328 0.000424 0.000003 -0.000029 0Rh 8s -0.000181 -0.000110 -0.000256 0.000330 0.000005 -0.000014 0Rh 1pz -0.000000 0.000000 -0.000077 -0.000001 0.901417 0.058171 0Rh 1px 0.000001 -0.000001 0.000252 0.000003 0.340843 0.022333 0Rh 1py 0.000000 -0.000000 0.000042 0.000000 -0.215006 -0.015498 0Rh 2pz 0.000001 0.000000 -0.000003 -0.000002 0.024842 0.001599 0Rh 2px -0.000004 -0.000001 0.000009 0.000007 0.009392 0.000614 0Rh 2py -0.000001 -0.000000 0.000001 0.000001 -0.005925 -0.000426 0Rh 3pz -0.000006 -0.000003 -0.000003 0.000011 -0.010908 -0.000678 0Rh 3px 0.000020 0.000006 0.000006 -0.000037 -0.004121 -0.000261 0Rh 3py 0.000004 0.000001 0.000001 -0.000007 0.002601 0.000183 0Rh 4pz 0.000012 0.000005 0.000008 -0.000023 0.007787 0.000432 0Rh 4px -0.000042 -0.000012 -0.000018 0.000080 0.002937 0.000167 0Rh 4py -0.000007 -0.000001 -0.000002 0.000015 -0.001857 -0.000121 0Rh 5pz -0.000009 -0.000003 -0.000003 0.000018 -0.003600 -0.000104 0Rh 5px 0.000033 0.000002 -0.000001 -0.000069 -0.001353 -0.000047 0Rh 5py 0.000006 -0.000002 -0.000005 -0.000013 0.000858 0.000038 0Rh 6pz -0.000143 -0.000072 -0.000178 0.000264 0.001514 -0.000735 0Rh 6px 0.000407 0.000245 0.000583 -0.000747 0.000551 -0.000208 0Rh 6py 0.000062 0.000105 0.000220 -0.000100 -0.000379 0.000128 0Rh 1dz2 0.000000 -0.000000 -0.000005 -0.000000 0.000009 -0.000002 0Rh 1dxz 0.000000 -0.000000 -0.000006 -0.000000 -0.000015 0.000003 0Rh 1dyz 0.000000 -0.000000 -0.000001 -0.000000 -0.000004 0.000001 0Rh 1dx2y2 -0.000000 0.000000 0.000009 0.000000 -0.000007 0.000001 0Rh 1dxy -0.000000 0.000000 0.000004 0.000000 0.000003 -0.000000 0Rh 2dz2 -0.000001 0.000001 0.000003 0.000001 -0.000009 0.000010 0Rh 2dxz -0.000001 0.000001 0.000003 0.000001 0.000016 -0.000016 0Rh 2dyz -0.000000 0.000000 0.000001 0.000000 0.000005 -0.000004 0Rh 2dx2y2 0.000001 -0.000002 -0.000005 -0.000001 0.000007 -0.000007 0Rh 2dxy 0.000000 -0.000001 -0.000003 -0.000001 -0.000003 0.000002 0Rh 3dz2 0.000001 -0.000002 -0.000005 -0.000002 0.000014 -0.000026 0Rh 3dxz 0.000002 -0.000002 -0.000004 -0.000003 -0.000026 0.000041 0Rh 3dyz 0.000000 -0.000001 -0.000002 -0.000001 -0.000008 0.000011 0Rh 3dx2y2 -0.000003 0.000004 0.000008 0.000005 -0.000011 0.000018 0Rh 3dxy -0.000001 0.000003 0.000006 0.000002 0.000005 -0.000006 0Rh 4dz2 -0.000005 0.000007 0.000011 0.000009 -0.000015 0.000049 0Rh 4dxz -0.000007 0.000007 0.000011 0.000012 0.000030 -0.000078 0Rh 4dyz -0.000001 0.000002 0.000004 0.000002 0.000009 -0.000021 0Rh 4dx2y2 0.000010 -0.000012 -0.000020 -0.000017 0.000011 -0.000034 0Rh 4dxy 0.000003 -0.000007 -0.000012 -0.000007 -0.000007 0.000011 0Rh 5dz2 0.000024 -0.000031 -0.000052 -0.000050 -0.000028 -0.000068 0Rh 5dxz 0.000034 -0.000037 -0.000061 -0.000070 0.000034 0.000113 0Rh 5dyz 0.000005 -0.000009 -0.000015 -0.000011 0.000016 0.000033 0Rh 5dx2y2 -0.000050 0.000058 0.000097 0.000102 0.000027 0.000048 0Rh 5dxy -0.000018 0.000027 0.000046 0.000038 -0.000002 -0.000016 0Rh 1f0 0.000002 -0.000000 0.000000 -0.000004 0.000016 0.000004 0Rh 1f+1 -0.000002 0.000000 0.000000 0.000003 -0.000006 -0.000001 0Rh 1f-1 -0.000000 0.000000 0.000001 0.000001 -0.000025 -0.000005 0Rh 1f+2 -0.000002 0.000001 0.000001 0.000005 0.000038 0.000006 0Rh 1f-2 -0.000001 0.000000 0.000000 0.000002 0.000009 0.000001 0Rh 1f+3 -0.000003 0.000000 0.000000 0.000006 -0.000021 -0.000004 0Rh 1f-3 -0.000002 0.000000 -0.000000 0.000004 0.000005 0.000001 1Rh 1s -0.992942 0.083020 -0.005177 0.333028 -0.000000 -0.000003 1Rh 2s -0.006052 0.000519 0.016510 -1.060311 -0.000003 0.000007 1Rh 3s 0.006505 -0.000525 0.001080 -0.067619 -0.000003 -0.000001 1Rh 4s -0.007697 0.000598 -0.000652 0.037225 0.000008 0.000003 1Rh 5s 0.002804 -0.000177 0.000221 -0.007526 -0.000010 -0.000004 1Rh 6s -0.001359 0.000045 -0.000179 0.003004 0.000013 0.000004 1Rh 7s 0.001194 0.000124 0.000497 -0.002313 -0.000024 -0.000003 1Rh 8s 0.000139 0.000160 0.000338 -0.000246 -0.000017 0.000010 1Rh 1pz 0.000000 -0.000000 -0.000002 0.000076 0.059229 -0.913334 1Rh 1px -0.000001 0.000001 0.000005 -0.000252 0.021878 -0.335007 1Rh 1py -0.000000 0.000000 0.000001 -0.000042 -0.011565 0.168945 1Rh 2pz 0.000001 0.000001 0.000002 0.000003 0.001636 -0.025169 1Rh 2px -0.000002 -0.000004 -0.000007 -0.000010 0.000604 -0.009231 1Rh 2py -0.000000 -0.000001 -0.000001 -0.000001 -0.000320 0.004656 1Rh 3pz -0.000004 -0.000005 -0.000011 0.000003 -0.000741 0.011048 1Rh 3px 0.000010 0.000019 0.000037 -0.000005 -0.000274 0.004048 1Rh 3py 0.000002 0.000003 0.000007 -0.000001 0.000146 -0.002043 1Rh 4pz 0.000007 0.000011 0.000023 -0.000007 0.000581 -0.007881 1Rh 4px -0.000018 -0.000039 -0.000081 0.000015 0.000214 -0.002882 1Rh 4py -0.000003 -0.000007 -0.000014 0.000002 -0.000116 0.001457 1Rh 5pz -0.000004 -0.000008 -0.000018 0.000003 -0.000362 0.003632 1Rh 5px 0.000008 0.000032 0.000069 0.000003 -0.000129 0.001323 1Rh 5py -0.000001 0.000006 0.000012 0.000005 0.000076 -0.000671 1Rh 6pz -0.000094 -0.000128 -0.000269 0.000169 0.000912 -0.001433 1Rh 6px 0.000310 0.000361 0.000765 -0.000561 0.000286 -0.000499 1Rh 6py 0.000113 0.000044 0.000107 -0.000216 -0.000213 0.000277 1Rh 1dz2 0.000000 -0.000000 -0.000000 -0.000005 -0.000003 0.000009 1Rh 1dxz 0.000000 -0.000000 -0.000000 -0.000006 0.000005 -0.000014 1Rh 1dyz 0.000000 -0.000000 -0.000000 -0.000001 0.000001 -0.000004 1Rh 1dx2y2 -0.000000 0.000000 0.000000 0.000009 0.000002 -0.000006 1Rh 1dxy -0.000000 0.000000 0.000000 0.000004 -0.000001 0.000002 1Rh 2dz2 -0.000001 0.000001 0.000001 0.000003 0.000011 -0.000008 1Rh 2dxz -0.000001 0.000001 0.000001 0.000003 -0.000018 0.000014 1Rh 2dyz -0.000000 0.000000 0.000000 0.000001 -0.000005 0.000004 1Rh 2dx2y2 0.000001 -0.000001 -0.000001 -0.000005 -0.000008 0.000006 1Rh 2dxy 0.000001 -0.000001 -0.000000 -0.000003 0.000004 -0.000002 1Rh 3dz2 0.000002 -0.000002 -0.000002 -0.000005 -0.000027 0.000011 1Rh 3dxz 0.000002 -0.000003 -0.000003 -0.000005 0.000043 -0.000020 1Rh 3dyz 0.000001 -0.000000 -0.000000 -0.000002 0.000013 -0.000006 1Rh 3dx2y2 -0.000004 0.000004 0.000004 0.000008 0.000020 -0.000008 1Rh 3dxy -0.000003 0.000001 0.000002 0.000006 -0.000009 0.000003 1Rh 4dz2 -0.000006 0.000006 0.000008 0.000011 0.000049 -0.000009 1Rh 4dxz -0.000006 0.000008 0.000012 0.000012 -0.000081 0.000019 1Rh 4dyz -0.000002 0.000001 0.000002 0.000004 -0.000024 0.000006 1Rh 4dx2y2 0.000010 -0.000012 -0.000017 -0.000020 -0.000036 0.000006 1Rh 4dxy 0.000006 -0.000005 -0.000006 -0.000013 0.000017 -0.000003 1Rh 5dz2 0.000026 -0.000029 -0.000048 -0.000053 -0.000062 -0.000036 1Rh 5dxz 0.000031 -0.000040 -0.000068 -0.000063 0.000106 0.000049 1Rh 5dyz 0.000008 -0.000007 -0.000011 -0.000016 0.000034 0.000019 1Rh 5dx2y2 -0.000049 0.000059 0.000099 0.000100 0.000045 0.000031 1Rh 5dxy -0.000023 0.000022 0.000036 0.000047 -0.000022 -0.000002 1Rh 1f0 0.000000 0.000002 0.000004 -0.000000 -0.000002 -0.000015 1Rh 1f+1 -0.000000 -0.000002 -0.000003 -0.000000 -0.000000 0.000006 1Rh 1f-1 0.000000 -0.000000 -0.000001 -0.000001 0.000001 0.000027 1Rh 1f+2 0.000000 -0.000003 -0.000005 -0.000001 -0.000001 -0.000039 1Rh 1f-2 0.000000 -0.000001 -0.000002 -0.000000 0.000000 -0.000007 1Rh 1f+3 -0.000000 -0.000003 -0.000006 -0.000000 0.000001 0.000021 1Rh 1f-3 -0.000000 -0.000002 -0.000004 0.000000 0.000000 -0.000005 2C 1s 0.000000 -0.000000 -0.000001 -0.000000 -0.000001 0.000002 2C 2s 0.000000 0.000001 0.000002 0.000000 0.000004 -0.000007 2C 3s -0.000021 0.000021 0.000040 0.000048 -0.000003 0.000019 2C 4s 0.000128 -0.000145 -0.000274 -0.000293 -0.000049 0.000002 2C 5s -0.000119 0.000065 0.000127 0.000271 0.000574 -0.000252 2C 1pz -0.000001 0.000001 0.000002 0.000002 0.000002 -0.000001 2C 1px -0.000000 -0.000001 -0.000002 0.000000 0.000005 -0.000002 2C 1py -0.000001 0.000001 0.000002 0.000002 -0.000007 0.000004 2C 2pz 0.000054 -0.000063 -0.000122 -0.000127 -0.000074 0.000060 2C 2px 0.000010 -0.000005 -0.000011 -0.000022 -0.000040 0.000049 2C 2py 0.000039 -0.000044 -0.000085 -0.000091 0.000014 0.000030 2C 3pz -0.000021 0.000006 0.000013 0.000047 0.000122 -0.000005 2C 3px 0.000031 -0.000005 -0.000003 -0.000058 -0.000056 -0.000124 2C 3py -0.000012 0.000014 0.000028 0.000030 0.000060 -0.000105 2C 1dz2 0.000003 -0.000001 -0.000002 -0.000005 0.000002 -0.000007 2C 1dxz -0.000001 -0.000002 -0.000003 0.000001 0.000006 0.000003 2C 1dyz 0.000002 -0.000004 -0.000007 -0.000006 0.000001 0.000002 2C 1dx2y2 -0.000001 -0.000000 -0.000001 0.000002 0.000006 0.000001 2C 1dxy -0.000000 -0.000002 -0.000004 0.000000 0.000004 0.000003 2C 2dz2 0.000009 -0.000016 -0.000032 -0.000024 -0.000029 0.000052 2C 2dxz 0.000012 -0.000010 -0.000017 -0.000026 -0.000010 -0.000005 2C 2dyz 0.000019 -0.000014 -0.000028 -0.000043 -0.000033 0.000023 2C 2dx2y2 -0.000002 0.000013 0.000025 0.000008 -0.000033 0.000010 2C 2dxy 0.000006 0.000000 -0.000000 -0.000012 -0.000030 -0.000002 2C 1f0 0.000001 -0.000002 -0.000003 -0.000001 -0.000000 0.000007 2C 1f+1 0.000002 -0.000001 -0.000002 -0.000004 -0.000003 -0.000004 2C 1f-1 0.000004 -0.000005 -0.000010 -0.000009 -0.000002 0.000000 2C 1f+2 -0.000002 0.000003 0.000005 0.000005 -0.000003 0.000002 2C 1f-2 0.000003 -0.000002 -0.000003 -0.000006 -0.000002 -0.000001 2C 1f+3 0.000001 0.000000 0.000000 -0.000002 0.000002 0.000003 2C 1f-3 0.000000 -0.000000 -0.000001 -0.000000 0.000005 -0.000002 3C 1s 0.000000 -0.000000 -0.000000 -0.000000 -0.000001 0.000001 3C 2s -0.000000 0.000001 0.000001 0.000000 0.000003 -0.000004 3C 3s -0.000020 0.000023 0.000043 0.000046 0.000011 0.000011 3C 4s 0.000123 -0.000149 -0.000283 -0.000286 -0.000120 0.000019 3C 5s -0.000124 0.000059 0.000115 0.000279 0.000783 -0.000451 3C 1pz -0.000001 0.000002 0.000003 0.000002 0.000002 -0.000001 3C 1px -0.000000 -0.000000 -0.000000 0.000001 0.000004 0.000001 3C 1py 0.000001 -0.000001 -0.000002 -0.000002 0.000003 -0.000001 3C 2pz 0.000034 -0.000046 -0.000088 -0.000081 -0.000066 0.000033 3C 2px 0.000020 -0.000020 -0.000039 -0.000045 -0.000062 0.000040 3C 2py -0.000051 0.000064 0.000125 0.000121 0.000101 -0.000085 3C 3pz -0.000030 0.000014 0.000025 0.000063 0.000058 0.000033 3C 3px 0.000017 0.000010 0.000023 -0.000028 0.000001 -0.000098 3C 3py 0.000016 0.000001 -0.000000 -0.000036 -0.000159 0.000120 3C 1dz2 -0.000000 0.000001 0.000003 0.000001 0.000002 -0.000004 3C 1dxz 0.000001 -0.000001 -0.000001 -0.000001 0.000001 -0.000002 3C 1dyz -0.000003 0.000003 0.000005 0.000006 -0.000002 0.000003 3C 1dx2y2 -0.000002 0.000001 0.000001 0.000005 0.000007 0.000002 3C 1dxy 0.000000 0.000003 0.000006 0.000000 -0.000005 -0.000006 3C 2dz2 -0.000004 0.000001 0.000003 0.000009 0.000001 0.000010 3C 2dxz 0.000004 -0.000011 -0.000021 -0.000011 -0.000013 0.000024 3C 2dyz -0.000011 0.000013 0.000027 0.000028 0.000082 -0.000072 3C 2dx2y2 -0.000011 0.000022 0.000041 0.000028 -0.000005 -0.000005 3C 2dxy -0.000017 0.000008 0.000015 0.000035 0.000037 0.000002 3C 1f0 -0.000002 0.000003 0.000005 0.000006 0.000004 0.000001 3C 1f+1 -0.000000 -0.000000 -0.000001 0.000000 -0.000002 0.000001 3C 1f-1 0.000001 0.000000 0.000000 -0.000001 0.000004 -0.000010 3C 1f+2 -0.000002 0.000005 0.000009 0.000006 -0.000001 -0.000002 3C 1f-2 -0.000003 0.000003 0.000005 0.000007 0.000004 0.000004 3C 1f+3 0.000003 -0.000002 -0.000004 -0.000006 0.000000 0.000001 3C 1f-3 -0.000001 0.000002 0.000004 0.000002 -0.000004 0.000001 4C 1s 0.000000 -0.000000 -0.000001 -0.000001 -0.000003 0.000003 4C 2s -0.000001 0.000001 0.000003 0.000003 0.000008 -0.000009 4C 3s 0.000031 -0.000034 -0.000068 -0.000074 -0.000256 0.000237 4C 4s -0.000121 0.000120 0.000235 0.000282 0.001138 -0.001037 4C 5s 0.000058 -0.000029 -0.000054 -0.000128 0.000618 -0.000640 4C 1pz -0.000005 0.000004 0.000008 0.000011 -0.000015 0.000025 4C 1px 0.000003 0.000005 0.000009 -0.000004 -0.000025 -0.000019 4C 1py -0.000002 0.000004 0.000007 0.000005 -0.000011 0.000002 4C 2pz 0.000081 -0.000044 -0.000077 -0.000174 0.000116 -0.000330 4C 2px -0.000069 -0.000096 -0.000200 0.000113 0.000404 0.000395 4C 2py 0.000022 -0.000061 -0.000118 -0.000061 0.000164 -0.000001 4C 3pz 0.000013 -0.000049 -0.000075 -0.000014 0.000909 -0.000820 4C 3px 0.000023 0.000026 0.000061 -0.000039 0.000277 -0.000110 4C 3py 0.000023 -0.000024 -0.000031 -0.000036 0.000475 -0.000373 4C 1dz2 0.000002 -0.000000 -0.000000 -0.000004 -0.000012 0.000012 4C 1dxz -0.000001 -0.000002 -0.000004 0.000002 -0.000013 0.000014 4C 1dyz 0.000001 -0.000001 -0.000003 -0.000003 -0.000017 0.000013 4C 1dx2y2 -0.000001 0.000001 0.000001 0.000002 0.000024 -0.000027 4C 1dxy -0.000001 -0.000002 -0.000003 0.000002 0.000010 -0.000000 4C 2dz2 0.000001 0.000033 0.000068 0.000008 -0.000078 -0.000095 4C 2dxz -0.000022 -0.000023 -0.000048 0.000042 0.000039 0.000208 4C 2dyz -0.000028 0.000036 0.000070 0.000069 0.000150 -0.000122 4C 2dx2y2 -0.000006 -0.000003 -0.000008 0.000009 0.000137 -0.000054 4C 2dxy -0.000029 -0.000007 -0.000018 0.000057 0.000136 -0.000017 4C 1f0 0.000003 -0.000003 -0.000005 -0.000008 -0.000007 0.000013 4C 1f+1 0.000004 -0.000008 -0.000014 -0.000010 -0.000024 0.000024 4C 1f-1 0.000007 -0.000003 -0.000006 -0.000015 -0.000004 -0.000017 4C 1f+2 -0.000004 0.000009 0.000017 0.000010 0.000002 -0.000041 4C 1f-2 -0.000002 -0.000005 -0.000011 0.000003 0.000015 0.000009 4C 1f+3 0.000002 0.000002 0.000003 -0.000002 -0.000019 -0.000028 4C 1f-3 0.000008 -0.000002 -0.000003 -0.000015 -0.000042 -0.000006 5C 1s 0.000000 -0.000001 -0.000001 -0.000001 -0.000003 0.000003 5C 2s -0.000001 0.000002 0.000003 0.000003 0.000009 -0.000008 5C 3s 0.000029 -0.000035 -0.000068 -0.000070 -0.000298 0.000239 5C 4s -0.000108 0.000122 0.000240 0.000257 0.001355 -0.001069 5C 5s 0.000051 -0.000044 -0.000084 -0.000117 0.000603 -0.000554 5C 1pz -0.000004 0.000002 0.000003 0.000007 -0.000008 0.000021 5C 1px 0.000002 0.000005 0.000010 -0.000004 -0.000029 -0.000016 5C 1py 0.000005 -0.000005 -0.000008 -0.000011 0.000010 -0.000016 5C 2pz 0.000062 -0.000019 -0.000029 -0.000129 0.000013 -0.000269 5C 2px -0.000072 -0.000101 -0.000212 0.000115 0.000499 0.000363 5C 2py -0.000074 0.000059 0.000108 0.000162 -0.000083 0.000215 5C 3pz 0.000001 -0.000040 -0.000068 0.000002 0.000683 -0.000605 5C 3px 0.000036 -0.000008 0.000001 -0.000067 0.000431 -0.000248 5C 3py -0.000005 0.000053 0.000084 0.000001 -0.000861 0.000704 5C 1dz2 0.000001 0.000001 0.000002 -0.000001 -0.000006 0.000006 5C 1dxz -0.000000 -0.000002 -0.000004 0.000000 -0.000019 0.000012 5C 1dyz -0.000002 0.000001 0.000001 0.000005 0.000007 -0.000003 5C 1dx2y2 -0.000001 0.000000 0.000000 0.000003 0.000033 -0.000026 5C 1dxy 0.000001 0.000002 0.000005 -0.000001 0.000010 -0.000017 5C 2dz2 0.000020 -0.000005 -0.000006 -0.000043 -0.000197 0.000045 5C 2dxz -0.000017 -0.000002 -0.000007 0.000034 0.000021 0.000150 5C 2dyz 0.000016 -0.000043 -0.000086 -0.000045 -0.000122 0.000192 5C 2dx2y2 -0.000012 -0.000026 -0.000056 0.000016 0.000135 0.000037 5C 2dxy 0.000040 0.000004 0.000012 -0.000081 -0.000130 -0.000070 5C 1f0 -0.000003 -0.000001 -0.000002 0.000005 0.000000 0.000033 5C 1f+1 0.000006 -0.000001 -0.000002 -0.000012 -0.000039 -0.000001 5C 1f-1 -0.000003 -0.000001 -0.000002 0.000005 0.000006 0.000013 5C 1f+2 -0.000004 0.000004 0.000006 0.000008 -0.000010 -0.000008 5C 1f-2 -0.000001 0.000010 0.000020 0.000004 -0.000011 -0.000041 5C 1f+3 0.000007 -0.000006 -0.000012 -0.000015 -0.000041 -0.000005 5C 1f-3 -0.000007 0.000005 0.000008 0.000015 0.000027 -0.000023 6C 1s 0.000000 -0.000000 -0.000001 -0.000001 0.000003 -0.000002 6C 2s -0.000001 0.000001 0.000002 0.000003 -0.000010 0.000008 6C 3s 0.000029 -0.000035 -0.000068 -0.000071 0.000286 -0.000252 6C 4s -0.000102 0.000128 0.000253 0.000248 -0.001283 0.001147 6C 5s 0.000035 -0.000058 -0.000115 -0.000087 -0.000662 0.000490 6C 1pz 0.000001 -0.000004 -0.000007 -0.000004 -0.000022 0.000005 6C 1px 0.000005 0.000002 0.000004 -0.000010 0.000013 0.000030 6C 1py -0.000004 0.000006 0.000010 0.000009 0.000019 -0.000007 6C 2pz -0.000008 0.000064 0.000127 0.000033 0.000280 0.000021 6C 2px -0.000111 -0.000053 -0.000120 0.000208 -0.000311 -0.000523 6C 2py 0.000046 -0.000082 -0.000157 -0.000113 -0.000239 0.000046 6C 3pz -0.000040 0.000007 -0.000005 0.000068 0.000703 -0.000578 6C 3px -0.000001 0.000037 0.000068 0.000001 0.000308 -0.000375 6C 3py 0.000052 -0.000013 0.000003 -0.000085 -0.000847 0.000713 6C 1dz2 -0.000001 -0.000000 -0.000001 0.000002 0.000007 -0.000005 6C 1dxz 0.000002 -0.000000 0.000000 -0.000004 0.000015 -0.000016 6C 1dyz -0.000000 0.000002 0.000004 0.000001 -0.000005 0.000006 6C 1dx2y2 0.000000 0.000001 0.000003 0.000001 -0.000031 0.000028 6C 1dxy -0.000002 -0.000001 -0.000002 0.000005 -0.000019 0.000007 6C 2dz2 0.000001 -0.000021 -0.000043 -0.000008 0.000073 -0.000184 6C 2dxz 0.000005 0.000016 0.000034 -0.000006 0.000150 0.000042 6C 2dyz 0.000039 -0.000023 -0.000042 -0.000087 0.000215 -0.000089 6C 2dx2y2 0.000028 0.000008 0.000018 -0.000056 0.000018 0.000132 6C 2dxy -0.000010 -0.000038 -0.000080 0.000009 -0.000058 -0.000131 6C 1f0 -0.000001 -0.000003 -0.000005 0.000002 -0.000034 -0.000005 6C 1f+1 -0.000000 0.000006 0.000012 0.000002 -0.000004 0.000037 6C 1f-1 -0.000001 -0.000003 -0.000005 0.000002 -0.000012 -0.000007 6C 1f+2 0.000003 -0.000004 -0.000008 -0.000006 0.000007 0.000010 6C 1f-2 0.000010 -0.000002 -0.000003 -0.000020 0.000041 0.000016 6C 1f+3 -0.000005 0.000008 0.000015 0.000012 0.000000 0.000040 6C 1f-3 0.000003 -0.000008 -0.000015 -0.000008 0.000027 -0.000023 7C 1s 0.000000 -0.000000 -0.000001 -0.000001 0.000003 -0.000002 7C 2s -0.000001 0.000001 0.000002 0.000003 -0.000009 0.000007 7C 3s 0.000029 -0.000037 -0.000072 -0.000071 0.000256 -0.000238 7C 4s -0.000100 0.000140 0.000276 0.000246 -0.001121 0.001064 7C 5s 0.000019 -0.000062 -0.000127 -0.000057 -0.000679 0.000557 7C 1pz 0.000003 -0.000006 -0.000011 -0.000008 -0.000025 0.000012 7C 1px 0.000005 0.000002 0.000005 -0.000009 0.000014 0.000028 7C 1py 0.000004 -0.000003 -0.000005 -0.000008 -0.000002 0.000011 7C 2pz -0.000030 0.000087 0.000171 0.000082 0.000327 -0.000076 7C 2px -0.000106 -0.000052 -0.000119 0.000196 -0.000320 -0.000472 7C 2py -0.000056 0.000032 0.000057 0.000120 0.000019 -0.000176 7C 3pz -0.000045 0.000020 0.000011 0.000075 0.000891 -0.000841 7C 3px 0.000030 0.000019 0.000041 -0.000060 0.000144 -0.000269 7C 3py -0.000020 0.000026 0.000035 0.000031 0.000399 -0.000465 7C 1dz2 -0.000000 -0.000002 -0.000004 -0.000001 0.000013 -0.000012 7C 1dxz 0.000002 0.000001 0.000002 -0.000004 0.000014 -0.000012 7C 1dyz 0.000001 -0.000001 -0.000003 -0.000003 0.000015 -0.000015 7C 1dx2y2 -0.000001 0.000001 0.000002 0.000002 -0.000029 0.000022 7C 1dxy 0.000002 0.000001 0.000002 -0.000003 -0.000001 0.000011 7C 2dz2 -0.000033 0.000004 0.000005 0.000068 -0.000078 -0.000091 7C 2dxz 0.000026 0.000018 0.000043 -0.000046 0.000193 0.000065 7C 2dyz -0.000031 0.000034 0.000066 0.000073 -0.000133 0.000139 7C 2dx2y2 0.000004 0.000005 0.000010 -0.000007 -0.000065 0.000136 7C 2dxy 0.000012 0.000027 0.000058 -0.000016 -0.000036 0.000143 7C 1f0 -0.000002 0.000004 0.000007 0.000005 -0.000013 0.000005 7C 1f+1 -0.000007 0.000006 0.000010 0.000015 -0.000025 0.000023 7C 1f-1 -0.000002 0.000008 0.000015 0.000006 0.000016 0.000006 7C 1f+2 0.000009 -0.000006 -0.000010 -0.000018 0.000039 0.000003 7C 1f-2 -0.000005 -0.000001 -0.000003 0.000010 -0.000006 -0.000017 7C 1f+3 0.000002 0.000001 0.000002 -0.000003 0.000024 0.000023 7C 1f-3 -0.000001 0.000008 0.000015 0.000004 -0.000000 0.000045 8C 1s 0.000000 -0.000000 -0.000000 -0.000001 0.000002 -0.000001 8C 2s -0.000001 0.000000 0.000000 0.000001 -0.000005 0.000002 8C 3s -0.000019 0.000023 0.000044 0.000044 0.000011 0.000013 8C 4s 0.000127 -0.000146 -0.000277 -0.000292 0.000031 -0.000115 8C 5s -0.000037 0.000133 0.000279 0.000123 -0.000554 0.000692 8C 1pz 0.000001 -0.000001 -0.000002 -0.000003 0.000001 -0.000003 8C 1px -0.000000 -0.000000 -0.000001 0.000000 -0.000000 -0.000004 8C 1py -0.000001 0.000001 0.000002 0.000002 0.000001 -0.000003 8C 2pz -0.000040 0.000042 0.000078 0.000090 -0.000040 0.000063 8C 2px -0.000016 0.000023 0.000044 0.000040 -0.000049 0.000056 8C 2py 0.000055 -0.000061 -0.000117 -0.000129 0.000098 -0.000084 8C 3pz 0.000009 -0.000032 -0.000062 -0.000026 -0.000025 -0.000058 8C 3px 0.000012 0.000015 0.000029 -0.000022 0.000105 0.000009 8C 3py 0.000004 0.000016 0.000037 0.000002 -0.000139 0.000135 8C 1dz2 -0.000001 0.000001 0.000001 0.000003 -0.000005 0.000002 8C 1dxz 0.000001 -0.000001 -0.000001 -0.000001 -0.000002 0.000001 8C 1dyz -0.000002 0.000003 0.000006 0.000005 0.000004 -0.000001 8C 1dx2y2 -0.000000 0.000002 0.000005 0.000001 0.000001 0.000007 8C 1dxy -0.000003 0.000000 0.000000 0.000006 -0.000006 -0.000005 8C 2dz2 -0.000000 0.000004 0.000009 0.000003 0.000008 0.000000 8C 2dxz 0.000010 -0.000006 -0.000010 -0.000021 0.000024 -0.000010 8C 2dyz -0.000011 0.000013 0.000028 0.000028 -0.000082 0.000070 8C 2dx2y2 -0.000019 0.000015 0.000027 0.000042 -0.000006 -0.000006 8C 2dxy -0.000006 0.000018 0.000035 0.000017 -0.000002 0.000036 8C 1f0 0.000002 -0.000003 -0.000005 -0.000005 -0.000000 -0.000004 8C 1f+1 -0.000000 -0.000000 -0.000000 0.000001 -0.000002 0.000002 8C 1f-1 0.000000 0.000000 0.000001 -0.000000 0.000010 -0.000003 8C 1f+2 0.000004 -0.000003 -0.000006 -0.000009 0.000002 0.000001 8C 1f-2 0.000002 -0.000004 -0.000007 -0.000005 -0.000004 -0.000005 8C 1f+3 -0.000002 0.000003 0.000006 0.000005 -0.000000 -0.000000 8C 1f-3 0.000002 -0.000001 -0.000002 -0.000004 -0.000001 0.000004 9C 1s 0.000000 -0.000000 -0.000000 -0.000001 0.000002 -0.000001 9C 2s -0.000001 0.000000 -0.000000 0.000002 -0.000007 0.000003 9C 3s -0.000018 0.000025 0.000047 0.000042 0.000018 0.000001 9C 4s 0.000122 -0.000150 -0.000285 -0.000283 0.000008 -0.000054 9C 5s -0.000044 0.000129 0.000269 0.000135 -0.000306 0.000586 9C 1pz 0.000001 -0.000001 -0.000002 -0.000002 0.000001 -0.000001 9C 1px -0.000001 0.000000 -0.000000 0.000002 0.000003 -0.000005 9C 1py 0.000001 -0.000001 -0.000002 -0.000002 -0.000005 0.000007 9C 2pz -0.000053 0.000064 0.000123 0.000126 -0.000065 0.000069 9C 2px -0.000003 0.000010 0.000021 0.000011 -0.000052 0.000035 9C 2py -0.000037 0.000046 0.000088 0.000088 -0.000027 -0.000013 9C 3pz 0.000003 -0.000022 -0.000048 -0.000016 0.000015 -0.000129 9C 3px 0.000000 0.000032 0.000058 0.000005 0.000108 0.000070 9C 3py 0.000011 -0.000014 -0.000029 -0.000028 0.000113 -0.000050 9C 1dz2 0.000001 -0.000003 -0.000005 -0.000002 -0.000007 0.000001 9C 1dxz 0.000002 0.000000 0.000001 -0.000003 0.000002 0.000006 9C 1dyz 0.000003 -0.000003 -0.000006 -0.000007 0.000002 0.000001 9C 1dx2y2 0.000000 0.000001 0.000002 -0.000001 0.000000 0.000006 9C 1dxy 0.000002 -0.000000 0.000000 -0.000004 0.000003 0.000004 9C 2dz2 0.000014 -0.000012 -0.000023 -0.000032 0.000055 -0.000022 9C 2dxz 0.000007 -0.000014 -0.000025 -0.000018 -0.000001 -0.000010 9C 2dyz 0.000011 -0.000021 -0.000042 -0.000029 0.000024 -0.000034 9C 2dx2y2 -0.000013 0.000005 0.000008 0.000026 0.000016 -0.000031 9C 2dxy -0.000001 -0.000006 -0.000012 -0.000000 0.000001 -0.000031 9C 1f0 -0.000001 0.000001 0.000001 0.000003 -0.000008 -0.000001 9C 1f+1 -0.000001 0.000002 0.000004 0.000002 0.000003 0.000003 9C 1f-1 -0.000005 0.000005 0.000009 0.000010 -0.000000 0.000002 9C 1f+2 0.000003 -0.000003 -0.000005 -0.000006 -0.000002 0.000003 9C 1f-2 -0.000001 0.000003 0.000006 0.000004 0.000000 0.000002 9C 1f+3 0.000000 0.000001 0.000002 -0.000000 -0.000003 -0.000002 9C 1f-3 -0.000000 0.000000 0.000000 0.000001 0.000003 -0.000005 10H 1s 0.000001 0.000000 0.000001 -0.000002 -0.000005 0.000001 10H 2s -0.000002 -0.000012 -0.000022 0.000002 0.000056 -0.000031 10H 3s 0.000001 0.000004 0.000006 -0.000004 -0.000014 0.000053 10H 1pz -0.000002 0.000001 0.000001 0.000005 0.000007 -0.000004 10H 1px -0.000000 0.000000 0.000000 0.000001 -0.000002 0.000004 10H 1py -0.000001 0.000000 0.000001 0.000002 0.000006 -0.000002 11H 1s -0.000003 0.000002 0.000002 0.000006 -0.000008 0.000011 11H 2s 0.000006 0.000009 0.000017 -0.000012 -0.000016 -0.000028 11H 3s 0.000033 -0.000026 -0.000045 -0.000070 -0.000009 -0.000026 11H 1pz 0.000000 0.000002 0.000005 0.000001 -0.000002 -0.000004 11H 1px -0.000001 0.000003 0.000006 0.000003 -0.000006 0.000002 11H 1py 0.000001 -0.000001 -0.000001 -0.000002 0.000002 -0.000001 12H 1s -0.000002 0.000000 0.000000 0.000005 -0.000002 0.000012 12H 2s 0.000013 0.000006 0.000014 -0.000024 0.000018 -0.000017 12H 3s 0.000023 -0.000013 -0.000023 -0.000049 -0.000069 -0.000081 12H 1pz 0.000001 0.000001 0.000002 -0.000001 0.000002 -0.000010 12H 1px -0.000000 0.000003 0.000005 0.000001 -0.000003 0.000004 12H 1py 0.000000 0.000002 0.000004 -0.000000 0.000008 -0.000002 13H 1s 0.000001 0.000001 0.000002 -0.000001 -0.000003 -0.000000 13H 2s -0.000002 -0.000013 -0.000024 0.000002 0.000038 -0.000002 13H 3s 0.000002 0.000000 -0.000001 -0.000007 -0.000066 0.000046 13H 1pz -0.000001 0.000000 0.000000 0.000002 0.000002 -0.000001 13H 1px -0.000000 0.000000 0.000000 0.000001 0.000001 -0.000003 13H 1py 0.000003 -0.000001 -0.000001 -0.000005 -0.000002 -0.000002 14H 1s -0.000002 -0.000000 -0.000001 0.000004 -0.000001 0.000005 14H 2s 0.000014 0.000004 0.000010 -0.000027 -0.000021 -0.000028 14H 3s 0.000019 -0.000009 -0.000015 -0.000040 -0.000050 0.000026 14H 1pz 0.000001 0.000000 0.000001 -0.000001 0.000001 -0.000001 14H 1px -0.000000 0.000003 0.000005 0.000001 -0.000008 0.000001 14H 1py -0.000000 -0.000002 -0.000004 -0.000000 -0.000000 0.000001 15H 1s -0.000003 0.000002 0.000003 0.000006 -0.000004 0.000009 15H 2s 0.000004 0.000007 0.000014 -0.000007 -0.000041 0.000039 15H 3s 0.000034 -0.000028 -0.000048 -0.000073 -0.000043 -0.000049 15H 1pz 0.000002 -0.000002 -0.000003 -0.000003 0.000009 -0.000013 15H 1px -0.000001 0.000002 0.000003 0.000001 -0.000004 0.000001 15H 1py 0.000001 -0.000003 -0.000005 -0.000002 0.000002 -0.000004 16H 1s 0.000002 0.000004 0.000009 -0.000003 0.000004 -0.000001 16H 2s -0.000006 -0.000059 -0.000115 0.000000 -0.000017 0.000038 16H 3s -0.000000 0.000014 0.000027 0.000004 0.000008 -0.000030 16H 1pz -0.000002 -0.000012 -0.000024 0.000002 0.000020 0.000005 16H 1px 0.000002 0.000005 0.000009 -0.000003 -0.000016 0.000004 16H 1py -0.000000 -0.000001 -0.000001 0.000001 -0.000001 0.000004 17H 1s 0.000002 0.000004 0.000009 -0.000003 -0.000005 0.000002 17H 2s -0.000006 -0.000057 -0.000111 0.000001 0.000026 -0.000027 17H 3s 0.000000 0.000015 0.000029 0.000003 -0.000017 0.000027 17H 1pz 0.000001 0.000006 0.000012 0.000000 0.000002 0.000004 17H 1px 0.000003 0.000011 0.000022 -0.000003 0.000030 -0.000003 17H 1py -0.000001 -0.000002 -0.000004 0.000001 -0.000003 -0.000004 18H 1s -0.000005 -0.000001 -0.000003 0.000009 0.000003 -0.000005 18H 2s 0.000057 -0.000003 0.000004 -0.000110 -0.000031 0.000015 18H 3s -0.000015 0.000002 0.000002 0.000029 0.000031 -0.000014 18H 1pz 0.000006 -0.000000 0.000000 -0.000012 -0.000004 -0.000004 18H 1px 0.000011 0.000001 0.000004 -0.000021 0.000008 -0.000031 18H 1py -0.000002 -0.000000 -0.000001 0.000003 0.000003 0.000004 19H 1s -0.000005 -0.000001 -0.000003 0.000009 -0.000002 0.000004 19H 2s 0.000060 -0.000004 0.000004 -0.000115 0.000038 -0.000019 19H 3s -0.000014 0.000003 0.000003 0.000027 -0.000029 0.000004 19H 1pz -0.000012 -0.000000 -0.000003 0.000024 -0.000002 -0.000019 19H 1px 0.000005 0.000001 0.000003 -0.000009 -0.000005 0.000016 19H 1py -0.000001 -0.000000 -0.000001 0.000002 -0.000005 0.000001 20H 1s -0.000001 0.000003 0.000006 0.000003 0.000010 -0.000002 20H 2s -0.000008 -0.000003 -0.000008 0.000014 0.000042 -0.000034 20H 3s 0.000021 -0.000038 -0.000071 -0.000050 -0.000045 -0.000051 20H 1pz -0.000002 0.000002 0.000003 0.000003 0.000014 -0.000007 20H 1px 0.000002 -0.000001 -0.000001 -0.000003 -0.000002 0.000004 20H 1py -0.000003 0.000001 0.000002 0.000006 0.000004 -0.000001 21H 1s 0.000000 0.000002 0.000004 -0.000000 0.000006 -0.000000 21H 2s -0.000006 -0.000013 -0.000028 0.000009 -0.000027 -0.000027 21H 3s 0.000006 -0.000021 -0.000040 -0.000017 0.000028 -0.000043 21H 1pz 0.000001 0.000001 0.000001 -0.000001 0.000002 0.000000 21H 1px 0.000003 -0.000001 -0.000000 -0.000005 -0.000002 0.000008 21H 1py -0.000002 -0.000000 -0.000000 0.000004 -0.000002 0.000000 22H 1s -0.000001 -0.000001 -0.000001 0.000002 0.000000 -0.000002 22H 2s 0.000013 0.000000 0.000003 -0.000024 -0.000010 0.000035 22H 3s -0.000001 -0.000002 -0.000007 -0.000001 0.000057 -0.000060 22H 1pz -0.000000 -0.000001 -0.000002 -0.000000 0.000002 -0.000002 22H 1px 0.000000 -0.000000 -0.000001 -0.000000 0.000003 -0.000000 22H 1py -0.000000 0.000003 0.000005 0.000001 0.000001 0.000002 23H 1s 0.000000 0.000002 0.000005 0.000000 0.000012 -0.000001 23H 2s -0.000008 -0.000012 -0.000024 0.000013 -0.000016 0.000013 23H 3s 0.000010 -0.000026 -0.000049 -0.000025 -0.000072 -0.000081 23H 1pz 0.000001 0.000000 0.000001 -0.000002 0.000010 -0.000000 23H 1px 0.000002 -0.000001 -0.000001 -0.000005 -0.000005 0.000003 23H 1py 0.000002 -0.000000 0.000000 -0.000005 0.000002 -0.000007 24H 1s -0.000001 0.000003 0.000006 0.000002 0.000011 -0.000006 24H 2s -0.000010 -0.000005 -0.000013 0.000017 -0.000028 -0.000021 24H 3s 0.000020 -0.000037 -0.000068 -0.000046 -0.000020 -0.000017 24H 1pz 0.000002 -0.000000 -0.000000 -0.000005 0.000004 0.000002 24H 1px 0.000003 -0.000002 -0.000003 -0.000006 -0.000002 0.000006 24H 1py -0.000000 0.000001 0.000002 0.000001 0.000001 -0.000002 25H 1s -0.000000 -0.000001 -0.000002 0.000001 0.000002 -0.000005 25H 2s 0.000012 0.000000 0.000003 -0.000022 -0.000036 0.000054 25H 3s -0.000004 -0.000000 -0.000004 0.000006 0.000052 -0.000013 25H 1pz 0.000000 -0.000003 -0.000005 -0.000002 0.000005 -0.000007 25H 1px 0.000000 -0.000000 -0.000001 -0.000000 -0.000004 0.000001 25H 1py 0.000000 -0.000001 -0.000002 -0.000001 0.000003 -0.000005 26O 1s -0.000001 0.000000 0.000001 0.000001 0.000004 -0.000000 26O 2s 0.000003 -0.000001 -0.000002 -0.000005 -0.000015 0.000001 26O 3s -0.000022 0.000012 0.000019 0.000043 0.000100 -0.000008 26O 4s 0.000068 -0.000082 -0.000144 -0.000146 -0.000150 0.000003 26O 5s 0.000026 0.000342 0.000655 0.000004 -0.001007 0.000173 26O 1pz -0.000002 -0.000003 -0.000005 0.000004 0.000012 0.000004 26O 1px 0.000003 0.000003 0.000006 -0.000005 -0.000017 -0.000000 26O 1py -0.000000 -0.000001 -0.000001 0.000000 0.000027 -0.000001 26O 2pz 0.000004 -0.000000 -0.000000 -0.000009 0.000050 -0.000001 26O 2px -0.000031 -0.000018 -0.000039 0.000058 0.000226 0.000004 26O 2py -0.000009 -0.000007 -0.000014 0.000016 0.000029 0.000024 26O 3pz -0.000002 0.000162 0.000309 0.000028 -0.000376 -0.000022 26O 3px -0.000043 -0.000004 -0.000016 0.000082 0.000429 -0.000132 26O 3py -0.000017 0.000093 0.000174 0.000047 0.000260 -0.000141 26O 1dz2 -0.000001 -0.000002 -0.000004 0.000002 0.000017 0.000003 26O 1dxz 0.000001 -0.000001 -0.000002 -0.000003 -0.000004 -0.000004 26O 1dyz -0.000001 -0.000005 -0.000009 0.000001 0.000048 0.000007 26O 1dx2y2 -0.000000 -0.000000 -0.000001 0.000000 -0.000008 -0.000006 26O 1dxy 0.000001 -0.000002 -0.000004 -0.000002 0.000016 -0.000001 26O 2dz2 -0.000002 0.000009 0.000015 0.000005 -0.000023 -0.000011 26O 2dxz -0.000003 0.000006 0.000010 0.000008 0.000003 0.000004 26O 2dyz 0.000003 0.000021 0.000037 -0.000002 -0.000147 -0.000023 26O 2dx2y2 0.000007 -0.000001 0.000000 -0.000014 -0.000019 0.000027 26O 2dxy 0.000004 0.000009 0.000017 -0.000006 -0.000097 0.000000 26O 1f0 0.000000 -0.000000 -0.000000 -0.000000 0.000007 -0.000002 26O 1f+1 0.000000 0.000002 0.000003 -0.000001 -0.000011 0.000004 26O 1f-1 0.000001 0.000002 0.000003 -0.000001 -0.000039 -0.000003 26O 1f+2 0.000000 -0.000001 -0.000002 -0.000000 0.000025 0.000005 26O 1f-2 -0.000000 0.000002 0.000003 0.000001 -0.000011 0.000005 26O 1f+3 0.000001 0.000001 0.000001 -0.000001 -0.000006 0.000004 26O 1f-3 0.000001 0.000001 0.000001 -0.000002 -0.000014 -0.000000 27O 1s -0.000001 0.000000 0.000000 0.000001 0.000005 -0.000000 27O 2s 0.000003 -0.000001 -0.000001 -0.000005 -0.000017 0.000000 27O 3s -0.000022 0.000010 0.000015 0.000045 0.000114 -0.000007 27O 4s 0.000072 -0.000077 -0.000133 -0.000153 -0.000183 0.000001 27O 5s 0.000034 0.000319 0.000614 -0.000017 -0.001111 0.000201 27O 1pz -0.000002 -0.000002 -0.000004 0.000003 0.000002 0.000005 27O 1px 0.000003 0.000002 0.000004 -0.000005 -0.000010 -0.000000 27O 1py 0.000002 0.000002 0.000004 -0.000003 -0.000032 -0.000001 27O 2pz 0.000007 0.000003 0.000006 -0.000013 0.000033 -0.000014 27O 2px -0.000035 -0.000014 -0.000033 0.000067 0.000257 0.000006 27O 2py 0.000000 0.000001 0.000002 0.000000 -0.000015 -0.000017 27O 3pz 0.000008 0.000089 0.000171 -0.000003 -0.000430 0.000046 27O 3px -0.000044 0.000010 0.000009 0.000086 0.000548 -0.000169 27O 3py 0.000005 -0.000140 -0.000266 -0.000030 0.000042 0.000101 27O 1dz2 -0.000000 0.000002 0.000004 0.000001 -0.000020 -0.000002 27O 1dxz 0.000001 -0.000001 -0.000001 -0.000002 -0.000001 -0.000002 27O 1dyz 0.000001 0.000005 0.000008 -0.000002 -0.000046 -0.000005 27O 1dx2y2 0.000001 0.000001 0.000002 -0.000001 -0.000021 -0.000009 27O 1dxy -0.000001 0.000003 0.000005 0.000003 -0.000023 -0.000001 27O 2dz2 -0.000005 -0.000008 -0.000015 0.000008 0.000096 0.000003 27O 2dxz -0.000004 0.000005 0.000008 0.000009 0.000012 0.000001 27O 2dyz -0.000004 -0.000018 -0.000033 0.000004 0.000140 0.000014 27O 2dx2y2 0.000007 -0.000006 -0.000009 -0.000014 -0.000005 0.000035 27O 2dxy -0.000000 -0.000012 -0.000022 -0.000003 0.000100 0.000012 27O 1f0 -0.000000 -0.000001 -0.000002 0.000001 0.000029 0.000000 27O 1f+1 0.000001 0.000000 0.000001 -0.000001 -0.000004 0.000001 27O 1f-1 -0.000000 0.000000 0.000000 0.000001 -0.000002 -0.000000 27O 1f+2 0.000000 -0.000001 -0.000001 -0.000000 0.000023 0.000005 27O 1f-2 0.000000 -0.000002 -0.000003 -0.000001 0.000022 -0.000001 27O 1f+3 0.000001 0.000002 0.000004 -0.000001 -0.000030 0.000004 27O 1f-3 -0.000001 -0.000000 -0.000000 0.000001 0.000018 0.000006 28O 1s -0.000000 0.000001 0.000001 0.000001 0.000001 -0.000005 28O 2s 0.000001 -0.000003 -0.000005 -0.000002 -0.000002 0.000016 28O 3s -0.000008 0.000023 0.000043 0.000019 0.000022 -0.000106 28O 4s 0.000070 -0.000082 -0.000143 -0.000148 -0.000037 0.000168 28O 5s -0.000297 0.000018 -0.000035 0.000568 -0.000329 0.000982 28O 1pz 0.000001 0.000000 0.000000 -0.000002 -0.000003 -0.000005 28O 1px 0.000003 0.000003 0.000006 -0.000005 -0.000001 -0.000010 28O 1py 0.000002 0.000001 0.000003 -0.000003 0.000004 -0.000032 28O 2pz 0.000007 0.000014 0.000029 -0.000010 0.000031 -0.000176 28O 2px -0.000013 -0.000030 -0.000062 0.000018 -0.000017 0.000157 28O 2py -0.000001 -0.000003 -0.000006 0.000001 -0.000021 0.000034 28O 3pz -0.000122 0.000042 0.000053 0.000240 0.000103 0.000054 28O 3px -0.000062 -0.000025 -0.000062 0.000114 -0.000218 0.000631 28O 3py -0.000104 0.000019 0.000013 0.000203 0.000097 -0.000034 28O 1dz2 0.000002 -0.000001 -0.000002 -0.000004 0.000005 -0.000013 28O 1dxz 0.000000 0.000001 0.000003 0.000000 -0.000005 -0.000005 28O 1dyz 0.000005 -0.000000 0.000000 -0.000009 -0.000001 -0.000053 28O 1dx2y2 -0.000000 0.000000 0.000001 -0.000000 0.000003 0.000004 28O 1dxy 0.000002 0.000001 0.000002 -0.000003 -0.000001 -0.000013 28O 2dz2 -0.000010 0.000003 0.000005 0.000018 -0.000010 0.000047 28O 2dxz -0.000001 0.000005 0.000010 0.000002 0.000026 -0.000044 28O 2dyz -0.000021 0.000001 -0.000002 0.000037 0.000007 0.000167 28O 2dx2y2 0.000001 -0.000007 -0.000015 -0.000003 -0.000023 0.000032 28O 2dxy -0.000005 -0.000003 -0.000006 0.000009 -0.000003 0.000029 28O 1f0 -0.000001 -0.000000 -0.000001 0.000002 -0.000005 0.000002 28O 1f+1 -0.000000 -0.000000 -0.000001 0.000000 0.000002 0.000004 28O 1f-1 -0.000002 0.000001 0.000001 0.000004 -0.000004 0.000036 28O 1f+2 0.000002 0.000001 0.000002 -0.000003 0.000004 -0.000035 28O 1f-2 0.000000 -0.000001 -0.000001 -0.000000 0.000003 0.000014 28O 1f+3 0.000000 0.000000 0.000001 -0.000001 0.000004 0.000003 28O 1f-3 -0.000000 0.000000 0.000001 0.000001 0.000000 0.000009 29O 1s -0.000001 0.000001 0.000001 0.000002 -0.000000 -0.000000 29O 2s 0.000004 -0.000002 -0.000002 -0.000006 0.000000 0.000000 29O 3s -0.000021 0.000011 0.000014 0.000042 -0.000001 -0.000002 29O 4s 0.000059 -0.000047 -0.000073 -0.000123 0.000004 0.000007 29O 5s -0.000105 0.000146 0.000253 0.000233 -0.000002 -0.000025 29O 1pz -0.000001 0.000000 0.000000 0.000003 -0.000010 0.000001 29O 1px 0.000004 -0.000000 0.000000 -0.000007 -0.000003 0.000001 29O 1py 0.000000 0.000002 0.000004 -0.000000 0.000002 -0.000001 29O 2pz 0.000004 -0.000008 -0.000015 -0.000009 0.000061 0.000000 29O 2px -0.000011 0.000018 0.000031 0.000024 0.000020 -0.000003 29O 2py -0.000003 -0.000014 -0.000028 0.000003 -0.000012 0.000003 29O 3pz -0.000014 0.000014 0.000022 0.000029 -0.000192 0.000064 29O 3px 0.000040 -0.000055 -0.000094 -0.000088 -0.000069 0.000031 29O 3py 0.000004 -0.000039 -0.000074 -0.000015 0.000045 -0.000007 29O 1dz2 0.000001 0.000001 0.000002 -0.000001 0.000001 -0.000000 29O 1dxz 0.000001 0.000002 0.000004 -0.000002 -0.000003 0.000001 29O 1dyz 0.000000 0.000000 0.000001 -0.000000 -0.000004 0.000002 29O 1dx2y2 -0.000002 -0.000004 -0.000008 0.000002 -0.000001 0.000000 29O 1dxy -0.000001 -0.000001 -0.000002 0.000001 -0.000000 0.000000 29O 2dz2 -0.000001 0.000002 0.000003 0.000003 -0.000009 -0.000003 29O 2dxz -0.000003 -0.000002 -0.000004 0.000004 0.000016 -0.000001 29O 2dyz -0.000001 -0.000000 -0.000001 0.000001 -0.000000 -0.000008 29O 2dx2y2 0.000004 0.000009 0.000019 -0.000006 0.000006 0.000000 29O 2dxy 0.000002 -0.000001 -0.000001 -0.000003 -0.000006 -0.000002 29O 1f0 -0.000001 -0.000001 -0.000003 0.000001 -0.000001 0.000001 29O 1f+1 0.000000 0.000000 0.000001 -0.000001 0.000003 -0.000000 29O 1f-1 -0.000000 -0.000002 -0.000004 -0.000000 -0.000001 0.000001 29O 1f+2 0.000001 0.000001 0.000002 -0.000001 -0.000005 0.000001 29O 1f-2 0.000000 -0.000001 -0.000002 -0.000000 0.000001 -0.000002 29O 1f+3 0.000001 0.000002 0.000004 -0.000002 0.000002 -0.000000 29O 1f-3 0.000000 0.000000 0.000001 -0.000001 -0.000002 0.000001 30O 1s -0.000000 0.000001 0.000001 0.000001 0.000001 -0.000004 30O 2s 0.000001 -0.000003 -0.000005 -0.000002 -0.000003 0.000015 30O 3s -0.000009 0.000022 0.000042 0.000021 0.000022 -0.000103 30O 4s 0.000074 -0.000077 -0.000134 -0.000155 -0.000029 0.000153 30O 5s -0.000335 0.000033 -0.000012 0.000643 -0.000352 0.000996 30O 1pz 0.000000 -0.000000 -0.000000 -0.000000 -0.000004 0.000007 30O 1px 0.000004 0.000003 0.000007 -0.000006 -0.000000 -0.000018 30O 1py -0.000001 -0.000001 -0.000002 0.000001 -0.000003 0.000028 30O 2pz 0.000009 0.000009 0.000020 -0.000015 0.000032 -0.000158 30O 2px -0.000016 -0.000026 -0.000054 0.000026 -0.000020 0.000154 30O 2py -0.000009 -0.000007 -0.000015 0.000016 0.000008 0.000077 30O 3pz -0.000082 0.000037 0.000054 0.000163 0.000051 0.000084 30O 3px -0.000095 -0.000013 -0.000048 0.000179 -0.000188 0.000608 30O 3py 0.000139 -0.000045 -0.000055 -0.000274 -0.000192 0.000138 30O 1dz2 -0.000001 -0.000001 -0.000001 0.000002 0.000003 0.000025 30O 1dxz 0.000001 0.000001 0.000001 -0.000001 -0.000003 -0.000009 30O 1dyz -0.000005 0.000001 0.000001 0.000009 -0.000004 0.000042 30O 1dx2y2 -0.000001 0.000001 0.000002 0.000002 0.000001 0.000018 30O 1dxy -0.000002 -0.000001 -0.000003 0.000003 0.000005 0.000022 30O 2dz2 0.000004 0.000004 0.000008 -0.000007 -0.000004 -0.000086 30O 2dxz -0.000001 0.000005 0.000009 0.000003 0.000021 -0.000012 30O 2dyz 0.000021 0.000000 0.000005 -0.000038 0.000016 -0.000161 30O 2dx2y2 0.000007 -0.000007 -0.000013 -0.000013 -0.000017 -0.000038 30O 2dxy 0.000007 -0.000002 -0.000003 -0.000012 -0.000019 -0.000019 30O 1f0 0.000001 -0.000001 -0.000001 -0.000001 -0.000000 -0.000018 30O 1f+1 -0.000000 0.000000 0.000000 0.000001 0.000000 -0.000006 30O 1f-1 0.000001 -0.000000 -0.000001 -0.000001 0.000003 0.000002 30O 1f+2 0.000002 -0.000000 0.000000 -0.000004 0.000007 -0.000031 30O 1f-2 0.000001 0.000001 0.000002 -0.000002 0.000001 -0.000024 30O 1f+3 -0.000001 0.000000 0.000000 0.000001 0.000004 0.000026 30O 1f-3 0.000002 0.000000 0.000001 -0.000003 0.000006 -0.000020 31O 1s -0.000001 0.000000 0.000001 0.000001 -0.000005 0.000000 31O 2s 0.000003 -0.000001 -0.000002 -0.000005 0.000016 -0.000000 31O 3s -0.000021 0.000012 0.000020 0.000042 -0.000110 0.000007 31O 4s 0.000064 -0.000086 -0.000152 -0.000139 0.000163 -0.000006 31O 5s 0.000022 0.000335 0.000641 0.000009 0.001079 -0.000200 31O 1pz 0.000000 0.000000 0.000000 0.000000 -0.000007 0.000004 31O 1px 0.000003 0.000003 0.000006 -0.000006 0.000019 0.000003 31O 1py -0.000001 -0.000001 -0.000001 0.000002 -0.000028 -0.000000 31O 2pz 0.000011 0.000007 0.000016 -0.000020 0.000164 -0.000011 31O 2px -0.000028 -0.000012 -0.000027 0.000054 -0.000163 -0.000002 31O 2py -0.000008 -0.000008 -0.000016 0.000014 -0.000082 -0.000019 31O 3pz 0.000023 -0.000088 -0.000163 -0.000059 -0.000060 -0.000050 31O 3px -0.000029 -0.000091 -0.000179 0.000042 -0.000653 0.000097 31O 3py -0.000021 0.000146 0.000274 0.000064 -0.000155 0.000170 31O 1dz2 0.000001 0.000001 0.000002 -0.000001 0.000025 0.000006 31O 1dxz -0.000001 -0.000000 -0.000001 0.000001 -0.000009 -0.000004 31O 1dyz 0.000000 0.000005 0.000009 0.000001 0.000044 0.000001 31O 1dx2y2 -0.000001 0.000002 0.000002 0.000002 0.000019 0.000003 31O 1dxy 0.000002 0.000002 0.000003 -0.000003 0.000023 0.000007 31O 2dz2 -0.000004 -0.000004 -0.000007 0.000008 -0.000087 -0.000016 31O 2dxz -0.000004 0.000002 0.000003 0.000009 -0.000016 0.000018 31O 2dyz -0.000004 -0.000021 -0.000038 0.000004 -0.000170 -0.000006 31O 2dx2y2 0.000006 -0.000008 -0.000013 -0.000013 -0.000036 -0.000022 31O 2dxy 0.000001 -0.000007 -0.000012 -0.000003 -0.000018 -0.000020 31O 1f0 -0.000001 0.000001 0.000001 0.000001 0.000019 0.000003 31O 1f+1 0.000000 -0.000000 -0.000001 -0.000000 0.000006 0.000001 31O 1f-1 -0.000000 0.000001 0.000001 0.000001 -0.000000 -0.000003 31O 1f+2 0.000000 0.000002 0.000004 -0.000000 0.000033 -0.000003 31O 1f-2 0.000001 0.000001 0.000002 -0.000002 0.000025 0.000002 31O 1f+3 0.000000 -0.000001 -0.000001 -0.000000 -0.000026 -0.000007 31O 1f-3 0.000000 0.000002 0.000003 -0.000001 0.000021 -0.000003 32O 1s -0.000000 0.000001 0.000002 0.000001 -0.000000 0.000000 32O 2s 0.000001 -0.000004 -0.000006 -0.000003 0.000000 -0.000000 32O 3s -0.000007 0.000023 0.000041 0.000015 -0.000002 -0.000001 32O 4s 0.000036 -0.000066 -0.000121 -0.000077 0.000006 0.000002 32O 5s -0.000127 0.000128 0.000225 0.000260 -0.000022 0.000013 32O 1pz 0.000000 -0.000001 -0.000002 -0.000000 -0.000002 0.000010 32O 1px 0.000000 0.000004 0.000007 -0.000000 -0.000001 0.000003 32O 1py 0.000002 0.000000 0.000000 -0.000004 0.000001 -0.000002 32O 2pz -0.000007 0.000005 0.000008 0.000014 0.000008 -0.000060 32O 2px 0.000016 -0.000014 -0.000023 -0.000032 0.000005 -0.000021 32O 2py -0.000015 -0.000001 -0.000004 0.000028 -0.000006 0.000010 32O 3pz 0.000012 -0.000016 -0.000028 -0.000024 -0.000088 0.000184 32O 3px -0.000047 0.000048 0.000085 0.000097 -0.000039 0.000064 32O 3py -0.000038 0.000010 0.000013 0.000074 0.000017 -0.000029 32O 1dz2 -0.000001 -0.000001 -0.000001 0.000002 -0.000000 0.000001 32O 1dxz -0.000002 -0.000001 -0.000002 0.000004 0.000001 -0.000003 32O 1dyz -0.000000 -0.000000 -0.000000 0.000001 0.000002 -0.000003 32O 1dx2y2 0.000004 0.000001 0.000002 -0.000008 0.000000 -0.000001 32O 1dxy 0.000001 0.000001 0.000001 -0.000002 0.000000 -0.000000 32O 2dz2 -0.000002 0.000002 0.000003 0.000003 -0.000002 -0.000008 32O 2dxz 0.000002 0.000002 0.000004 -0.000004 -0.000003 0.000017 32O 2dyz 0.000000 0.000001 0.000001 -0.000000 -0.000008 -0.000002 32O 2dx2y2 -0.000010 -0.000003 -0.000007 0.000019 -0.000000 0.000005 32O 2dxy 0.000000 -0.000002 -0.000003 -0.000001 -0.000001 -0.000006 32O 1f0 -0.000001 -0.000000 -0.000001 0.000003 -0.000001 0.000001 32O 1f+1 0.000000 0.000000 0.000001 -0.000001 0.000000 -0.000003 32O 1f-1 -0.000002 0.000000 0.000000 0.000005 -0.000001 0.000001 32O 1f+2 0.000001 0.000001 0.000001 -0.000002 -0.000001 0.000005 32O 1f-2 -0.000001 0.000000 0.000000 0.000002 0.000002 -0.000001 32O 1f+3 0.000002 0.000001 0.000002 -0.000004 0.000000 -0.000002 32O 1f-3 0.000000 0.000000 0.000001 -0.000001 -0.000001 0.000001 33O 1s -0.000001 0.000000 0.000000 0.000001 -0.000004 0.000000 33O 2s 0.000003 -0.000001 -0.000002 -0.000005 0.000015 -0.000001 33O 3s -0.000022 0.000011 0.000018 0.000044 -0.000102 0.000009 33O 4s 0.000069 -0.000083 -0.000144 -0.000148 0.000163 -0.000017 33O 5s 0.000032 0.000295 0.000568 -0.000018 0.000967 -0.000221 33O 1pz 0.000000 0.000001 0.000002 -0.000000 0.000003 0.000004 33O 1px 0.000003 0.000002 0.000005 -0.000006 0.000009 0.000002 33O 1py 0.000002 0.000002 0.000003 -0.000003 0.000032 0.000001 33O 2pz 0.000015 0.000004 0.000011 -0.000029 0.000173 -0.000009 33O 2px -0.000031 -0.000008 -0.000020 0.000061 -0.000148 -0.000000 33O 2py -0.000003 -0.000000 -0.000001 0.000006 -0.000039 0.000015 33O 3pz 0.000021 -0.000128 -0.000239 -0.000061 -0.000050 -0.000121 33O 3px -0.000034 -0.000056 -0.000115 0.000059 -0.000630 0.000144 33O 3py 0.000001 -0.000106 -0.000203 -0.000019 0.000064 -0.000090 33O 1dz2 0.000001 -0.000002 -0.000004 -0.000002 -0.000012 0.000003 33O 1dxz -0.000001 -0.000000 0.000000 0.000003 -0.000004 -0.000006 33O 1dyz -0.000001 -0.000005 -0.000009 0.000000 -0.000050 -0.000008 33O 1dx2y2 -0.000000 0.000000 -0.000000 0.000001 0.000003 0.000004 33O 1dxy -0.000001 -0.000001 -0.000003 0.000002 -0.000012 -0.000003 33O 2dz2 -0.000002 0.000010 0.000018 0.000006 0.000043 -0.000004 33O 2dxz -0.000005 0.000002 0.000001 0.000010 -0.000045 0.000022 33O 2dyz 0.000002 0.000021 0.000037 -0.000001 0.000158 0.000028 33O 2dx2y2 0.000007 -0.000002 -0.000003 -0.000015 0.000033 -0.000020 33O 2dxy 0.000003 0.000005 0.000009 -0.000006 0.000026 0.000001 33O 1f0 -0.000000 -0.000001 -0.000002 0.000001 -0.000002 0.000005 33O 1f+1 -0.000001 -0.000000 -0.000000 0.000001 -0.000003 -0.000002 33O 1f-1 0.000000 -0.000002 -0.000004 -0.000001 -0.000034 0.000000 33O 1f+2 0.000001 0.000002 0.000003 -0.000002 0.000034 0.000000 33O 1f-2 -0.000001 0.000000 0.000000 0.000001 -0.000013 -0.000005 33O 1f+3 0.000001 0.000000 0.000001 -0.000001 -0.000003 -0.000005 33O 1f-3 0.000000 -0.000001 -0.000001 -0.000001 -0.000009 -0.000002 34O 1s -0.000000 0.000001 0.000001 0.000001 -0.000001 0.000004 34O 2s 0.000000 -0.000003 -0.000005 -0.000002 0.000003 -0.000016 34O 3s -0.000006 0.000024 0.000044 0.000017 -0.000022 0.000107 34O 4s 0.000064 -0.000084 -0.000149 -0.000139 0.000025 -0.000175 34O 5s -0.000321 0.000019 -0.000037 0.000613 0.000353 -0.001025 34O 1pz -0.000002 -0.000001 -0.000003 0.000004 -0.000004 -0.000001 34O 1px 0.000002 0.000002 0.000005 -0.000004 -0.000001 0.000010 34O 1py 0.000003 0.000001 0.000003 -0.000004 -0.000002 0.000032 34O 2pz 0.000004 0.000006 0.000013 -0.000006 0.000017 -0.000035 34O 2px -0.000020 -0.000032 -0.000068 0.000031 0.000028 -0.000246 34O 2py 0.000001 0.000000 0.000000 -0.000002 0.000014 0.000013 34O 3pz 0.000089 -0.000007 0.000008 -0.000171 -0.000098 0.000422 34O 3px 0.000003 -0.000045 -0.000086 -0.000013 0.000247 -0.000495 34O 3py -0.000137 0.000027 0.000021 0.000267 -0.000095 -0.000039 34O 1dz2 -0.000002 0.000001 0.000001 0.000004 0.000001 -0.000019 34O 1dxz 0.000001 -0.000001 -0.000002 -0.000001 -0.000002 -0.000002 34O 1dyz -0.000005 -0.000000 -0.000002 0.000008 0.000001 -0.000044 34O 1dx2y2 -0.000001 -0.000001 -0.000001 0.000002 -0.000007 -0.000022 34O 1dxy -0.000003 0.000002 0.000002 0.000005 0.000003 -0.000023 34O 2dz2 0.000008 0.000003 0.000008 -0.000014 -0.000010 0.000092 34O 2dxz -0.000004 0.000005 0.000009 0.000008 -0.000001 0.000014 34O 2dyz 0.000019 0.000001 0.000005 -0.000033 -0.000004 0.000133 34O 2dx2y2 0.000005 -0.000008 -0.000014 -0.000009 0.000036 0.000000 34O 2dxy 0.000012 -0.000002 -0.000002 -0.000022 -0.000001 0.000098 34O 1f0 -0.000001 -0.000000 -0.000001 0.000002 0.000004 -0.000028 34O 1f+1 0.000000 0.000001 0.000002 -0.000001 -0.000002 0.000004 34O 1f-1 0.000000 -0.000000 -0.000001 -0.000000 -0.000000 0.000003 34O 1f+2 -0.000001 0.000000 0.000000 0.000001 -0.000003 -0.000023 34O 1f-2 -0.000002 0.000001 0.000001 0.000003 0.000004 -0.000021 34O 1f+3 0.000002 0.000000 0.000001 -0.000004 -0.000008 0.000028 34O 1f-3 -0.000000 -0.000001 -0.000001 0.000000 -0.000004 -0.000019 35O 1s -0.000000 0.000001 0.000001 0.000001 -0.000001 0.000004 35O 2s 0.000001 -0.000003 -0.000005 -0.000002 0.000003 -0.000015 35O 3s -0.000008 0.000023 0.000043 0.000020 -0.000020 0.000103 35O 4s 0.000070 -0.000081 -0.000141 -0.000149 0.000022 -0.000158 35O 5s -0.000340 0.000031 -0.000017 0.000652 0.000290 -0.001029 35O 1pz -0.000003 -0.000002 -0.000004 0.000004 -0.000002 -0.000014 35O 1px 0.000003 0.000002 0.000005 -0.000005 -0.000002 0.000017 35O 1py -0.000001 -0.000000 -0.000000 0.000001 0.000005 -0.000027 35O 2pz 0.000000 0.000004 0.000009 0.000001 0.000008 -0.000049 35O 2px -0.000022 -0.000028 -0.000059 0.000036 0.000026 -0.000235 35O 2py -0.000008 -0.000008 -0.000017 0.000013 -0.000020 -0.000039 35O 3pz 0.000160 -0.000028 -0.000018 -0.000310 -0.000030 0.000380 35O 3px -0.000010 -0.000041 -0.000083 0.000013 0.000176 -0.000444 35O 3py 0.000089 -0.000032 -0.000041 -0.000176 0.000173 -0.000235 35O 1dz2 0.000002 0.000001 0.000002 -0.000004 0.000000 0.000019 35O 1dxz 0.000001 -0.000002 -0.000003 -0.000002 -0.000004 -0.000004 35O 1dyz 0.000005 -0.000000 0.000001 -0.000009 0.000001 0.000050 35O 1dx2y2 0.000000 0.000000 0.000000 -0.000000 -0.000005 -0.000009 35O 1dxy 0.000002 -0.000001 -0.000002 -0.000004 -0.000003 0.000016 35O 2dz2 -0.000009 0.000003 0.000005 0.000016 -0.000006 -0.000026 35O 2dxz -0.000005 0.000004 0.000008 0.000010 0.000004 0.000002 35O 2dyz -0.000021 0.000001 -0.000003 0.000037 -0.000003 -0.000156 35O 2dx2y2 -0.000000 -0.000007 -0.000014 -0.000000 0.000029 -0.000018 35O 2dxy -0.000009 -0.000002 -0.000007 0.000017 0.000012 -0.000100 35O 1f0 -0.000000 0.000000 0.000000 0.000000 0.000002 -0.000007 35O 1f+1 0.000002 0.000000 0.000001 -0.000003 -0.000005 0.000011 35O 1f-1 0.000002 0.000000 0.000001 -0.000003 -0.000002 0.000041 35O 1f+2 -0.000001 0.000000 0.000000 0.000002 -0.000001 -0.000026 35O 1f-2 0.000001 -0.000001 -0.000001 -0.000003 -0.000006 0.000011 35O 1f+3 0.000001 0.000000 0.000001 -0.000001 -0.000005 0.000006 35O 1f-3 0.000001 0.000001 0.000002 -0.000001 -0.000002 0.000014 6 7 8 9 10 11 -108.87872 -108.87871 -108.87792 -108.87787 -21.10122 -21.10120 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s 0.000003 0.000000 -0.000084 0.000010 0.116421 -0.080367 0Rh 2s -0.000013 0.000000 0.000323 0.000044 -0.453768 0.313448 0Rh 3s -0.000003 0.000001 0.000072 0.000075 0.271713 -0.187417 0Rh 4s 0.000007 -0.000004 -0.000147 -0.000193 0.583791 -0.403666 0Rh 5s -0.000010 0.000005 0.000225 0.000254 0.119869 -0.081689 0Rh 6s 0.000015 -0.000004 -0.000380 -0.000238 -0.027238 0.017301 0Rh 7s -0.000028 -0.000084 0.002007 -0.001223 0.022527 -0.010046 0Rh 8s 0.000049 0.000020 -0.001130 0.000063 0.004118 0.001453 0Rh 1pz 0.268802 0.017600 -0.300801 0.009677 -0.000092 0.000068 0Rh 1px -0.115724 -0.007883 0.920913 -0.029574 0.000278 -0.000207 0Rh 1py 0.942843 0.064038 0.198783 -0.006215 0.000038 -0.000029 0Rh 2pz 0.007408 0.000484 -0.008287 0.000264 0.000204 -0.000162 0Rh 2px -0.003191 -0.000216 0.025366 -0.000807 -0.000614 0.000497 0Rh 2py 0.025983 0.001760 0.005474 -0.000170 -0.000085 0.000072 0Rh 3pz -0.003256 -0.000206 0.003640 -0.000108 0.000113 0.000038 0Rh 3px 0.001409 0.000089 -0.011127 0.000331 -0.000346 -0.000165 0Rh 3py -0.011407 -0.000749 -0.002394 0.000073 -0.000056 -0.000034 0Rh 4pz 0.002330 0.000133 -0.002613 0.000085 -0.000208 -0.000110 0Rh 4px -0.001020 -0.000054 0.007961 -0.000266 0.000636 0.000454 0Rh 4py 0.008140 0.000480 0.001699 -0.000061 0.000101 0.000091 0Rh 5pz -0.001088 -0.000038 0.001270 -0.000121 0.000132 0.000099 0Rh 5px 0.000496 0.000013 -0.003833 0.000383 -0.000389 -0.000487 0Rh 5py -0.003761 -0.000122 -0.000791 0.000079 -0.000028 -0.000120 0Rh 6pz 0.000556 -0.000215 -0.001059 0.000310 0.003041 0.001294 0Rh 6px -0.000421 0.000193 0.002869 -0.000879 -0.009249 -0.003213 0Rh 6py 0.001583 -0.000735 0.000247 -0.000084 -0.002454 0.000392 0Rh 1dz2 0.000002 -0.000001 0.000006 -0.000003 0.000079 -0.000056 0Rh 1dxz -0.000005 0.000001 0.000008 -0.000004 0.000097 -0.000069 0Rh 1dyz 0.000004 -0.000001 0.000002 -0.000001 0.000019 -0.000014 0Rh 1dx2y2 0.000005 -0.000001 -0.000012 0.000006 -0.000148 0.000106 0Rh 1dxy -0.000017 0.000004 -0.000005 0.000002 -0.000062 0.000045 0Rh 2dz2 -0.000003 0.000003 -0.000002 0.000012 0.000050 -0.000025 0Rh 2dxz 0.000005 -0.000004 -0.000002 0.000016 0.000066 -0.000032 0Rh 2dyz -0.000004 0.000006 -0.000001 0.000002 0.000010 -0.000005 0Rh 2dx2y2 -0.000005 0.000005 0.000004 -0.000024 -0.000096 0.000048 0Rh 2dxy 0.000019 -0.000019 0.000003 -0.000007 -0.000034 0.000016 0Rh 3dz2 0.000005 -0.000008 -0.000002 -0.000034 0.000036 -0.000056 0Rh 3dxz -0.000007 0.000010 -0.000005 -0.000046 0.000032 -0.000068 0Rh 3dyz 0.000005 -0.000014 0.000000 -0.000007 0.000014 -0.000017 0Rh 3dx2y2 0.000007 -0.000011 0.000006 0.000069 -0.000063 0.000106 0Rh 3dxy -0.000028 0.000047 -0.000001 0.000022 -0.000043 0.000054 0Rh 4dz2 -0.000007 0.000017 0.000018 0.000095 -0.000049 0.000149 0Rh 4dxz 0.000005 -0.000018 0.000027 0.000129 -0.000035 0.000187 0Rh 4dyz -0.000004 0.000028 0.000003 0.000020 -0.000024 0.000043 0Rh 4dx2y2 -0.000005 0.000019 -0.000038 -0.000195 0.000080 -0.000286 0Rh 4dxy 0.000032 -0.000090 -0.000008 -0.000064 0.000068 -0.000135 0Rh 5dz2 -0.000003 -0.000031 -0.000096 -0.000239 0.000170 -0.000751 0Rh 5dxz 0.000029 0.000021 -0.000133 -0.000326 0.000145 -0.000982 0Rh 5dyz -0.000024 -0.000046 -0.000023 -0.000053 0.000068 -0.000193 0Rh 5dx2y2 -0.000029 -0.000019 0.000196 0.000490 -0.000277 0.001488 0Rh 5dxy 0.000043 0.000128 0.000069 0.000165 -0.000183 0.000603 0Rh 1f0 -0.000021 -0.000004 -0.000010 -0.000019 -0.000023 -0.000028 0Rh 1f+1 -0.000006 -0.000001 0.000007 0.000016 0.000015 0.000026 0Rh 1f-1 -0.000038 -0.000007 -0.000002 0.000003 -0.000003 0.000011 0Rh 1f+2 -0.000003 -0.000001 0.000010 0.000025 0.000023 0.000042 0Rh 1f-2 -0.000028 -0.000004 0.000002 0.000010 0.000007 0.000019 0Rh 1f+3 0.000010 0.000002 0.000014 0.000029 0.000030 0.000047 0Rh 1f-3 -0.000009 -0.000001 0.000008 0.000018 0.000020 0.000027 1Rh 1s -0.000000 0.000003 -0.000004 0.000085 -0.080387 -0.116406 1Rh 2s 0.000002 -0.000012 -0.000065 -0.000320 0.313251 0.453907 1Rh 3s 0.000002 -0.000002 -0.000079 -0.000067 -0.187666 -0.271537 1Rh 4s -0.000004 0.000005 0.000202 0.000134 -0.402869 -0.584350 1Rh 5s 0.000006 -0.000008 -0.000268 -0.000208 -0.083141 -0.118861 1Rh 6s -0.000006 0.000012 0.000262 0.000364 0.019338 0.025829 1Rh 7s -0.000086 -0.000032 0.001091 -0.002080 -0.017503 -0.017372 1Rh 8s 0.000012 0.000046 0.000010 0.001132 -0.004365 -0.000102 1Rh 1pz 0.013755 -0.224012 -0.009644 -0.301535 -0.000062 -0.000096 1Rh 1px -0.009491 0.129868 0.029525 0.921166 0.000187 0.000293 1Rh 1py 0.064772 -0.952657 0.006477 0.196486 0.000026 0.000041 1Rh 2pz 0.000381 -0.006174 -0.000268 -0.008306 0.000132 0.000221 1Rh 2px -0.000263 0.003580 0.000821 0.025372 -0.000399 -0.000684 1Rh 2py 0.001789 -0.026252 0.000179 0.005411 -0.000054 -0.000098 1Rh 3pz -0.000175 0.002713 0.000126 0.003648 0.000119 0.000005 1Rh 3px 0.000122 -0.001578 -0.000383 -0.011128 -0.000382 0.000032 1Rh 3py -0.000809 0.011522 -0.000080 -0.002366 -0.000065 0.000011 1Rh 4pz 0.000142 -0.001941 -0.000083 -0.002619 -0.000233 0.000030 1Rh 4px -0.000097 0.001139 0.000245 0.007964 0.000755 -0.000200 1Rh 4py 0.000631 -0.008215 0.000047 0.001680 0.000127 -0.000048 1Rh 5pz -0.000094 0.000905 -0.000039 0.001277 0.000158 -0.000046 1Rh 5px 0.000058 -0.000548 0.000137 -0.003850 -0.000535 0.000318 1Rh 5py -0.000389 0.003782 0.000028 -0.000786 -0.000068 0.000101 1Rh 6pz 0.000321 -0.000448 0.000241 -0.001075 0.003286 -0.000137 1Rh 6px -0.000235 0.000407 -0.000695 0.002921 -0.009793 -0.000279 1Rh 6py 0.000934 -0.001486 -0.000066 0.000254 -0.002150 -0.001224 1Rh 1dz2 -0.000001 0.000002 0.000002 -0.000006 -0.000054 -0.000080 1Rh 1dxz 0.000002 -0.000004 0.000003 -0.000008 -0.000066 -0.000099 1Rh 1dyz -0.000002 0.000004 0.000000 -0.000002 -0.000013 -0.000020 1Rh 1dx2y2 -0.000001 0.000005 -0.000005 0.000012 0.000101 0.000152 1Rh 1dxy 0.000006 -0.000016 -0.000001 0.000005 0.000043 0.000064 1Rh 2dz2 0.000004 -0.000002 -0.000012 0.000003 -0.000038 -0.000041 1Rh 2dxz -0.000006 0.000004 -0.000016 0.000003 -0.000050 -0.000053 1Rh 2dyz 0.000006 -0.000003 -0.000002 0.000001 -0.000008 -0.000008 1Rh 2dx2y2 0.000005 -0.000005 0.000024 -0.000005 0.000073 0.000079 1Rh 2dxy -0.000021 0.000016 0.000007 -0.000004 0.000026 0.000027 1Rh 3dz2 -0.000010 0.000003 0.000034 0.000000 -0.000014 -0.000066 1Rh 3dxz 0.000013 -0.000004 0.000046 0.000002 -0.000007 -0.000075 1Rh 3dyz -0.000014 0.000004 0.000007 -0.000001 -0.000007 -0.000021 1Rh 3dx2y2 -0.000011 0.000006 -0.000070 -0.000001 0.000022 0.000122 1Rh 3dxy 0.000050 -0.000022 -0.000021 0.000003 0.000021 0.000065 1Rh 4dz2 0.000021 -0.000004 -0.000096 -0.000012 -0.000007 0.000156 1Rh 4dxz -0.000022 0.000001 -0.000130 -0.000018 -0.000033 0.000187 1Rh 4dyz 0.000027 -0.000001 -0.000021 -0.000002 0.000007 0.000049 1Rh 4dx2y2 0.000017 -0.000003 0.000197 0.000026 0.000027 -0.000295 1Rh 4dxy -0.000093 0.000020 0.000065 0.000004 -0.000015 -0.000149 1Rh 5dz2 -0.000034 -0.000005 0.000245 0.000080 0.000108 -0.000763 1Rh 5dxz 0.000022 0.000029 0.000334 0.000111 0.000212 -0.000969 1Rh 5dyz -0.000040 -0.000030 0.000055 0.000019 0.000004 -0.000205 1Rh 5dx2y2 -0.000011 -0.000032 -0.000502 -0.000164 -0.000269 0.001488 1Rh 5dxy 0.000121 0.000061 -0.000168 -0.000058 -0.000042 0.000626 1Rh 1f0 0.000001 0.000023 -0.000020 -0.000009 -0.000031 0.000019 1Rh 1f+1 -0.000000 0.000005 0.000016 0.000006 0.000024 -0.000019 1Rh 1f-1 0.000002 0.000037 0.000003 -0.000002 0.000001 -0.000011 1Rh 1f+2 0.000000 0.000005 0.000025 0.000008 0.000037 -0.000031 1Rh 1f-2 0.000001 0.000029 0.000010 0.000002 0.000013 -0.000015 1Rh 1f+3 -0.000000 -0.000012 0.000030 0.000012 0.000045 -0.000034 1Rh 1f-3 -0.000001 0.000009 0.000018 0.000007 0.000029 -0.000019 2C 1s -0.000001 0.000002 -0.000001 0.000001 0.000002 -0.000001 2C 2s 0.000003 -0.000005 0.000004 -0.000004 -0.000010 0.000005 2C 3s 0.000004 0.000008 0.000040 -0.000045 -0.000069 0.000598 2C 4s -0.000064 0.000059 -0.000440 0.000492 0.000623 -0.003780 2C 5s 0.000820 -0.000360 0.000159 -0.000378 0.000455 0.003130 2C 1pz -0.000005 0.000000 0.000003 -0.000004 -0.000006 0.000029 2C 1px 0.000002 0.000000 0.000003 0.000002 0.000014 -0.000010 2C 1py 0.000004 -0.000002 0.000003 -0.000001 -0.000001 0.000026 2C 2pz -0.000044 0.000107 -0.000352 0.000369 0.000284 -0.001601 2C 2px -0.000027 0.000046 -0.000064 0.000080 -0.000031 -0.000207 2C 2py -0.000068 0.000068 -0.000228 0.000246 0.000190 -0.001137 2C 3pz 0.000164 -0.000094 0.000104 -0.000137 0.000156 0.000509 2C 3px -0.000020 -0.000127 0.000042 -0.000106 -0.000318 -0.000530 2C 3py 0.000061 -0.000003 0.000048 -0.000090 -0.000066 0.000442 2C 1dz2 -0.000006 0.000000 -0.000008 0.000010 -0.000015 -0.000049 2C 1dxz 0.000002 0.000006 -0.000007 0.000005 0.000031 -0.000008 2C 1dyz 0.000005 0.000000 -0.000010 0.000012 0.000023 -0.000079 2C 1dx2y2 -0.000000 0.000005 0.000007 -0.000007 0.000018 0.000013 2C 1dxy 0.000004 0.000004 -0.000002 0.000000 0.000030 -0.000018 2C 2dz2 0.000007 0.000016 -0.000065 0.000089 0.000125 -0.000348 2C 2dxz 0.000007 -0.000026 -0.000048 0.000001 -0.000002 -0.000303 2C 2dyz -0.000071 0.000069 -0.000107 0.000131 -0.000016 -0.000465 2C 2dx2y2 -0.000000 -0.000032 0.000041 -0.000023 -0.000166 0.000199 2C 2dxy -0.000021 0.000012 -0.000035 0.000005 -0.000062 -0.000086 2C 1f0 0.000005 -0.000006 0.000003 0.000010 0.000015 -0.000027 2C 1f+1 0.000004 -0.000002 -0.000013 0.000005 -0.000008 -0.000039 2C 1f-1 -0.000000 0.000004 -0.000004 0.000008 0.000030 -0.000125 2C 1f+2 0.000002 -0.000001 0.000003 -0.000011 -0.000015 0.000068 2C 1f-2 -0.000003 -0.000006 -0.000009 -0.000005 -0.000002 -0.000062 2C 1f+3 -0.000003 -0.000002 -0.000004 -0.000001 -0.000012 -0.000015 2C 1f-3 -0.000001 0.000004 -0.000003 0.000009 0.000004 -0.000006 3C 1s 0.000002 -0.000002 -0.000001 0.000001 0.000002 -0.000002 3C 2s -0.000005 0.000006 0.000004 -0.000004 -0.000007 0.000005 3C 3s 0.000004 -0.000023 0.000036 -0.000047 -0.000098 0.000590 3C 4s 0.000059 0.000033 -0.000438 0.000495 0.000719 -0.003768 3C 5s -0.000582 0.000155 0.000189 -0.000261 0.000600 0.003135 3C 1pz 0.000009 -0.000006 0.000001 -0.000002 -0.000012 0.000033 3C 1px -0.000000 -0.000000 0.000003 0.000001 0.000008 0.000003 3C 1py 0.000003 -0.000002 -0.000002 0.000004 0.000008 -0.000022 3C 2pz -0.000021 0.000012 -0.000202 0.000211 0.000261 -0.001096 3C 2px 0.000013 -0.000035 -0.000125 0.000152 0.000065 -0.000539 3C 2py -0.000089 0.000044 0.000345 -0.000376 -0.000333 0.001567 3C 3pz -0.000099 0.000016 0.000044 -0.000017 0.000144 0.000707 3C 3px 0.000040 0.000153 0.000025 -0.000089 -0.000368 -0.000103 3C 3py 0.000126 0.000003 -0.000129 0.000136 -0.000200 -0.000329 3C 1dz2 0.000006 -0.000002 0.000001 -0.000000 -0.000016 0.000022 3C 1dxz 0.000002 -0.000001 -0.000007 0.000006 0.000003 -0.000016 3C 1dyz -0.000002 -0.000001 0.000007 -0.000009 -0.000006 0.000076 3C 1dx2y2 -0.000000 -0.000007 0.000009 -0.000011 0.000018 0.000040 3C 1dxy 0.000006 0.000005 0.000008 -0.000007 -0.000048 0.000033 3C 2dz2 -0.000046 0.000026 0.000028 -0.000016 0.000029 0.000078 3C 2dxz -0.000012 0.000012 -0.000057 0.000015 0.000116 -0.000195 3C 2dyz -0.000032 0.000022 0.000082 -0.000128 -0.000055 0.000342 3C 2dx2y2 -0.000006 0.000034 0.000060 -0.000079 -0.000178 0.000440 3C 2dxy -0.000028 -0.000011 0.000077 -0.000049 0.000073 0.000358 3C 1f0 0.000001 0.000003 0.000002 -0.000001 -0.000010 0.000072 3C 1f+1 -0.000006 0.000001 -0.000001 0.000007 0.000006 0.000000 3C 1f-1 0.000003 -0.000004 -0.000003 -0.000003 -0.000008 -0.000004 3C 1f+2 -0.000002 0.000001 -0.000002 -0.000008 -0.000036 0.000091 3C 1f-2 0.000000 -0.000003 0.000010 -0.000005 -0.000002 0.000078 3C 1f+3 0.000003 0.000006 -0.000015 0.000005 0.000004 -0.000071 3C 1f-3 0.000001 0.000003 -0.000000 -0.000016 -0.000018 0.000039 4C 1s -0.000003 0.000003 -0.000002 0.000003 0.000002 -0.000006 4C 2s 0.000009 -0.000009 0.000008 -0.000009 -0.000008 0.000028 4C 3s -0.000291 0.000249 0.000042 -0.000052 0.000139 -0.000923 4C 4s 0.001344 -0.001094 -0.000804 0.000919 -0.000338 0.003442 4C 5s 0.000626 -0.000611 -0.000143 0.000184 -0.000247 -0.001484 4C 1pz -0.000009 0.000018 0.000006 -0.000012 0.000001 0.000130 4C 1px -0.000025 -0.000021 0.000005 0.000004 -0.000106 0.000014 4C 1py -0.000022 0.000009 0.000004 -0.000004 -0.000034 0.000078 4C 2pz 0.000068 -0.000251 -0.000403 0.000621 -0.000335 -0.001778 4C 2px 0.000467 0.000405 -0.000303 -0.000182 0.002285 -0.000162 4C 2py 0.000271 -0.000048 -0.000349 0.000298 0.000639 -0.001101 4C 3pz 0.000899 -0.000694 0.000300 -0.000507 0.000570 -0.000559 4C 3px 0.000216 -0.000047 0.000096 0.000030 -0.000749 0.000017 4C 3py 0.000799 -0.000625 0.000228 -0.000308 0.000060 -0.000497 4C 1dz2 -0.000023 0.000018 -0.000015 0.000020 -0.000013 -0.000027 4C 1dxz -0.000014 0.000021 -0.000011 0.000000 0.000037 -0.000005 4C 1dyz -0.000009 0.000014 -0.000031 0.000035 0.000011 -0.000038 4C 1dx2y2 0.000025 -0.000019 0.000005 -0.000002 -0.000001 0.000020 4C 1dxy 0.000007 -0.000007 -0.000011 0.000006 0.000031 -0.000007 4C 2dz2 -0.000040 -0.000113 0.000264 -0.000224 -0.000517 0.000385 4C 2dxz 0.000028 0.000144 0.000178 -0.000291 0.000631 0.000043 4C 2dyz 0.000110 -0.000161 0.000262 -0.000282 -0.000192 0.000876 4C 2dx2y2 0.000151 -0.000109 -0.000274 0.000275 0.000113 0.000067 4C 2dxy 0.000225 0.000044 -0.000047 -0.000025 0.000473 0.000362 4C 1f0 -0.000007 0.000021 -0.000018 -0.000028 0.000003 -0.000085 4C 1f+1 -0.000034 0.000021 0.000037 0.000005 0.000055 -0.000159 4C 1f-1 -0.000008 -0.000017 -0.000011 0.000006 -0.000036 -0.000148 4C 1f+2 -0.000005 -0.000040 0.000009 0.000032 -0.000086 0.000172 4C 1f-2 0.000015 0.000016 0.000020 0.000023 0.000094 -0.000033 4C 1f+3 -0.000014 -0.000025 0.000024 0.000032 -0.000044 -0.000001 4C 1f-3 -0.000050 -0.000002 0.000022 -0.000004 -0.000057 -0.000137 5C 1s 0.000003 -0.000003 -0.000002 0.000003 0.000002 -0.000006 5C 2s -0.000009 0.000008 0.000008 -0.000009 -0.000009 0.000029 5C 3s 0.000258 -0.000233 0.000068 -0.000032 0.000166 -0.000893 5C 4s -0.001122 0.001039 -0.000949 0.000813 -0.000523 0.003272 5C 5s -0.000633 0.000685 -0.000122 0.000179 0.000057 -0.001562 5C 1pz -0.000001 -0.000014 0.000003 -0.000004 0.000015 0.000078 5C 1px 0.000022 0.000019 0.000010 -0.000000 -0.000109 0.000025 5C 1py -0.000017 0.000024 -0.000009 0.000009 0.000008 -0.000131 5C 2pz 0.000029 0.000242 -0.000203 0.000355 -0.000489 -0.001177 5C 2px -0.000385 -0.000393 -0.000481 -0.000012 0.002378 -0.000186 5C 2py 0.000157 -0.000309 0.000452 -0.000541 0.000025 0.001848 5C 3pz -0.000405 0.000313 0.000176 -0.000275 0.000598 -0.000382 5C 3px -0.000384 0.000135 0.000239 -0.000107 -0.000398 -0.000579 5C 3py 0.000975 -0.000755 -0.000328 0.000397 -0.000721 0.000492 5C 1dz2 0.000015 -0.000008 0.000011 -0.000006 -0.000018 0.000002 5C 1dxz 0.000015 -0.000023 -0.000007 0.000005 0.000027 -0.000018 5C 1dyz -0.000011 0.000006 0.000028 -0.000032 0.000013 0.000040 5C 1dx2y2 -0.000024 0.000020 0.000009 -0.000019 0.000012 0.000024 5C 1dxy -0.000015 0.000013 0.000021 -0.000015 -0.000042 0.000013 5C 2dz2 0.000105 -0.000053 0.000084 -0.000040 -0.000185 -0.000381 5C 2dxz 0.000035 -0.000077 0.000183 -0.000229 0.000252 0.000211 5C 2dyz 0.000125 -0.000200 -0.000206 0.000188 0.000452 -0.000780 5C 2dx2y2 -0.000138 0.000003 -0.000394 0.000346 0.000539 -0.000119 5C 2dxy 0.000144 0.000141 -0.000153 0.000265 -0.000558 -0.000552 5C 1f0 -0.000003 -0.000038 -0.000003 -0.000026 0.000048 0.000030 5C 1f+1 0.000035 0.000006 0.000024 -0.000004 -0.000049 -0.000107 5C 1f-1 -0.000009 -0.000005 0.000007 0.000011 0.000044 0.000031 5C 1f+2 0.000014 0.000007 0.000034 0.000021 -0.000011 0.000094 5C 1f-2 0.000005 0.000040 -0.000010 0.000001 -0.000138 0.000137 5C 1f+3 0.000028 0.000002 0.000043 0.000020 0.000007 -0.000182 5C 1f-3 -0.000025 0.000021 0.000009 0.000036 0.000011 0.000159 6C 1s -0.000003 0.000002 -0.000003 0.000003 0.000000 -0.000006 6C 2s 0.000009 -0.000008 0.000009 -0.000008 -0.000001 0.000030 6C 3s -0.000255 0.000238 0.000028 -0.000069 0.000165 -0.000898 6C 4s 0.001132 -0.001037 -0.000751 0.000996 -0.000693 0.003266 6C 5s 0.000738 -0.000561 -0.000171 0.000130 0.000504 -0.001480 6C 1pz 0.000013 0.000002 -0.000003 0.000003 0.000042 -0.000067 6C 1px -0.000015 -0.000026 0.000001 0.000010 -0.000093 -0.000062 6C 1py -0.000025 0.000014 0.000008 -0.000009 -0.000038 0.000125 6C 2pz -0.000224 -0.000060 0.000341 -0.000224 -0.000868 0.000922 6C 2px 0.000318 0.000460 -0.000043 -0.000480 0.002146 0.001020 6C 2py 0.000319 -0.000119 -0.000510 0.000485 0.000670 -0.001713 6C 3pz -0.000336 0.000392 -0.000263 0.000196 0.000440 0.000565 6C 3px -0.000173 0.000382 -0.000092 0.000246 -0.000585 0.000399 6C 3py 0.000845 -0.000906 0.000376 -0.000357 -0.000519 -0.000715 6C 1dz2 -0.000010 0.000014 0.000005 -0.000011 0.000016 0.000008 6C 1dxz -0.000024 0.000013 -0.000004 0.000007 -0.000019 -0.000027 6C 1dyz 0.000008 -0.000010 0.000030 -0.000030 -0.000025 0.000033 6C 1dx2y2 0.000022 -0.000023 0.000018 -0.000010 -0.000020 0.000018 6C 1dxy 0.000014 -0.000013 0.000013 -0.000022 0.000034 0.000027 6C 2dz2 -0.000065 0.000107 0.000035 -0.000086 0.000310 -0.000292 6C 2dxz -0.000074 0.000023 0.000218 -0.000197 -0.000306 0.000105 6C 2dyz -0.000205 0.000101 -0.000175 0.000218 -0.000144 -0.000891 6C 2dx2y2 0.000025 -0.000144 -0.000320 0.000415 -0.000465 -0.000300 6C 2dxy 0.000118 0.000167 -0.000254 0.000169 0.000714 -0.000316 6C 1f0 0.000036 0.000008 -0.000026 -0.000002 0.000055 -0.000010 6C 1f+1 -0.000001 -0.000038 -0.000003 0.000024 -0.000084 0.000083 6C 1f-1 0.000003 0.000010 0.000012 0.000006 0.000052 -0.000013 6C 1f+2 -0.000004 -0.000016 0.000024 0.000033 0.000023 -0.000092 6C 1f-2 -0.000037 -0.000010 0.000001 -0.000010 -0.000079 -0.000178 6C 1f+3 0.000002 -0.000030 0.000023 0.000042 -0.000059 0.000173 6C 1f-3 -0.000023 0.000023 0.000037 0.000007 0.000067 -0.000145 7C 1s 0.000003 -0.000002 -0.000002 0.000003 0.000000 -0.000006 7C 2s -0.000011 0.000007 0.000008 -0.000009 -0.000002 0.000029 7C 3s 0.000296 -0.000242 0.000050 -0.000047 0.000196 -0.000917 7C 4s -0.001304 0.001127 -0.000868 0.000868 -0.000903 0.003367 7C 5s -0.000721 0.000510 -0.000177 0.000156 0.000772 -0.001294 7C 1pz -0.000021 0.000006 -0.000011 0.000007 0.000047 -0.000121 7C 1px 0.000018 0.000027 0.000004 0.000005 -0.000094 -0.000050 7C 1py -0.000012 0.000020 -0.000004 0.000005 -0.000005 -0.000085 7C 2pz 0.000272 -0.000029 0.000594 -0.000442 -0.000938 0.001537 7C 2px -0.000357 -0.000497 -0.000204 -0.000293 0.002070 0.000954 7C 2py 0.000084 -0.000255 0.000277 -0.000370 0.000204 0.001255 7C 3pz 0.000847 -0.000755 -0.000489 0.000331 0.000337 0.000716 7C 3px 0.000080 -0.000196 0.000037 0.000093 -0.000705 -0.000286 7C 3py 0.000746 -0.000687 -0.000295 0.000246 -0.000121 0.000474 7C 1dz2 0.000021 -0.000020 -0.000019 0.000016 0.000022 -0.000021 7C 1dxz 0.000023 -0.000010 0.000000 0.000011 -0.000032 -0.000018 7C 1dyz 0.000016 -0.000006 -0.000033 0.000033 0.000003 -0.000039 7C 1dx2y2 -0.000023 0.000021 0.000002 -0.000005 -0.000005 0.000019 7C 1dxy -0.000008 0.000005 -0.000005 0.000011 -0.000026 -0.000017 7C 2dz2 -0.000111 -0.000052 0.000205 -0.000278 0.000346 0.000538 7C 2dxz 0.000148 0.000045 0.000279 -0.000195 -0.000603 -0.000186 7C 2dyz -0.000180 0.000081 0.000264 -0.000280 -0.000129 0.000889 7C 2dx2y2 -0.000129 0.000128 -0.000258 0.000293 -0.000130 0.000026 7C 2dxy 0.000014 0.000222 0.000030 0.000046 -0.000572 0.000174 7C 1f0 -0.000023 0.000004 -0.000029 -0.000016 -0.000027 0.000080 7C 1f+1 -0.000026 0.000029 0.000007 0.000037 -0.000005 0.000169 7C 1f-1 0.000016 0.000010 0.000005 -0.000012 -0.000086 0.000126 7C 1f+2 0.000040 0.000010 0.000033 0.000007 -0.000019 -0.000192 7C 1f-2 -0.000014 -0.000017 0.000024 0.000018 0.000076 0.000065 7C 1f+3 0.000025 0.000016 0.000034 0.000022 -0.000042 -0.000015 7C 1f-3 -0.000005 0.000047 -0.000003 0.000023 -0.000101 0.000109 8C 1s -0.000002 0.000001 -0.000001 0.000001 -0.000001 -0.000002 8C 2s 0.000007 -0.000004 0.000004 -0.000004 0.000005 0.000007 8C 3s -0.000024 0.000000 0.000045 -0.000039 -0.000118 0.000587 8C 4s 0.000029 0.000067 -0.000466 0.000469 0.000663 -0.003778 8C 5s 0.000210 -0.000598 0.000248 -0.000208 -0.001708 0.002727 8C 1pz 0.000007 -0.000008 -0.000002 0.000001 0.000000 -0.000035 8C 1px 0.000000 0.000000 0.000001 0.000003 0.000009 0.000001 8C 1py 0.000002 -0.000002 0.000004 -0.000003 -0.000000 0.000024 8C 2pz -0.000016 0.000017 0.000197 -0.000214 -0.000144 0.001114 8C 2px 0.000034 -0.000011 0.000144 -0.000135 -0.000130 0.000524 8C 2py -0.000050 0.000086 -0.000353 0.000368 0.000244 -0.001585 8C 3pz -0.000031 0.000098 -0.000014 0.000045 0.000387 -0.000609 8C 3px -0.000141 -0.000060 -0.000089 0.000032 -0.000380 -0.000024 8C 3py 0.000008 -0.000133 0.000127 -0.000138 -0.000311 0.000244 8C 1dz2 -0.000002 0.000006 0.000000 -0.000001 0.000007 0.000027 8C 1dxz -0.000001 0.000002 -0.000005 0.000007 0.000002 -0.000016 8C 1dyz -0.000001 -0.000002 0.000009 -0.000008 -0.000022 0.000073 8C 1dx2y2 -0.000007 -0.000002 0.000011 -0.000010 -0.000032 0.000031 8C 1dxy 0.000004 0.000007 0.000007 -0.000009 0.000033 0.000048 8C 2dz2 0.000032 -0.000042 0.000014 -0.000028 -0.000057 0.000062 8C 2dxz 0.000015 -0.000009 -0.000011 0.000057 -0.000039 -0.000224 8C 2dyz 0.000022 -0.000032 0.000123 -0.000090 -0.000072 0.000339 8C 2dx2y2 0.000034 -0.000001 0.000075 -0.000065 0.000012 0.000473 8C 2dxy -0.000007 -0.000031 0.000044 -0.000080 -0.000194 0.000310 8C 1f0 -0.000003 -0.000001 -0.000001 0.000002 0.000016 -0.000071 8C 1f+1 -0.000001 0.000005 0.000007 -0.000001 0.000006 0.000002 8C 1f-1 0.000005 -0.000003 -0.000004 -0.000002 -0.000008 0.000001 8C 1f+2 -0.000001 0.000002 -0.000008 -0.000002 -0.000002 -0.000098 8C 1f-2 0.000003 0.000000 -0.000004 0.000010 0.000026 -0.000074 8C 1f+3 -0.000006 -0.000003 0.000004 -0.000015 -0.000021 0.000067 8C 1f-3 -0.000003 -0.000002 -0.000016 0.000001 -0.000003 -0.000043 9C 1s 0.000002 -0.000001 -0.000001 0.000001 -0.000002 -0.000002 9C 2s -0.000006 0.000002 0.000004 -0.000004 0.000008 0.000008 9C 3s 0.000009 0.000005 0.000043 -0.000042 -0.000149 0.000584 9C 4s 0.000065 -0.000053 -0.000463 0.000470 0.000757 -0.003756 9C 5s -0.000470 0.000736 0.000373 -0.000182 -0.001557 0.002778 9C 1pz -0.000001 0.000005 -0.000003 0.000003 0.000005 -0.000030 9C 1px -0.000000 -0.000001 0.000002 0.000003 0.000009 0.000015 9C 1py 0.000002 -0.000004 -0.000001 0.000003 0.000008 -0.000024 9C 2pz -0.000112 0.000024 0.000345 -0.000374 -0.000302 0.001598 9C 2px -0.000052 0.000018 0.000075 -0.000068 -0.000102 0.000180 9C 2py -0.000079 0.000059 0.000232 -0.000244 -0.000226 0.001131 9C 3pz 0.000114 -0.000144 -0.000130 0.000111 0.000330 -0.000434 9C 3px 0.000132 0.000037 -0.000104 0.000049 -0.000485 0.000389 9C 3py 0.000018 -0.000059 -0.000090 0.000056 0.000093 -0.000423 9C 1dz2 0.000001 -0.000006 -0.000009 0.000008 0.000032 -0.000040 9C 1dxz 0.000006 0.000002 -0.000005 0.000007 -0.000026 -0.000019 9C 1dyz -0.000000 0.000005 -0.000011 0.000010 0.000006 -0.000082 9C 1dx2y2 0.000005 0.000000 0.000007 -0.000007 -0.000022 0.000006 9C 1dxy 0.000003 0.000004 -0.000000 0.000002 -0.000022 -0.000028 9C 2dz2 0.000017 0.000011 -0.000084 0.000070 0.000006 -0.000364 9C 2dxz -0.000027 0.000004 0.000003 0.000047 0.000105 -0.000280 9C 2dyz 0.000078 -0.000059 -0.000124 0.000116 0.000180 -0.000433 9C 2dx2y2 -0.000031 -0.000004 0.000020 -0.000043 0.000083 0.000247 9C 2dxy 0.000013 -0.000018 -0.000003 0.000035 0.000094 -0.000059 9C 1f0 0.000006 -0.000004 0.000010 0.000002 0.000005 0.000030 9C 1f+1 0.000003 -0.000003 0.000005 -0.000013 -0.000021 0.000033 9C 1f-1 -0.000004 -0.000001 0.000008 -0.000005 -0.000016 0.000127 9C 1f+2 0.000001 -0.000002 -0.000011 0.000004 0.000010 -0.000071 9C 1f-2 0.000006 0.000004 -0.000005 -0.000009 -0.000023 0.000057 9C 1f+3 0.000002 0.000003 -0.000002 -0.000004 -0.000016 0.000011 9C 1f-3 -0.000004 0.000001 0.000009 -0.000004 0.000001 0.000007 10H 1s -0.000003 0.000000 0.000006 -0.000008 -0.000015 -0.000008 10H 2s 0.000047 -0.000011 -0.000068 -0.000004 0.000208 -0.000120 10H 3s -0.000063 0.000042 0.000059 0.000013 -0.000072 0.000007 10H 1pz 0.000004 0.000000 -0.000006 -0.000003 0.000015 0.000046 10H 1px -0.000001 -0.000000 0.000008 0.000003 0.000000 0.000010 10H 1py 0.000003 -0.000003 -0.000002 -0.000002 0.000005 0.000022 11H 1s -0.000003 0.000010 -0.000003 0.000002 0.000011 0.000059 11H 2s -0.000026 0.000031 -0.000008 0.000037 -0.000209 -0.000005 11H 3s -0.000067 -0.000072 0.000079 -0.000090 -0.000017 -0.000879 11H 1pz 0.000002 0.000000 0.000006 -0.000005 -0.000035 0.000027 11H 1px -0.000006 0.000009 -0.000003 0.000007 -0.000031 0.000057 11H 1py 0.000002 -0.000011 0.000010 -0.000012 -0.000002 -0.000021 12H 1s -0.000002 0.000006 0.000000 -0.000002 0.000024 0.000038 12H 2s -0.000024 -0.000028 -0.000000 0.000052 -0.000250 -0.000134 12H 3s -0.000050 0.000010 0.000046 -0.000075 -0.000084 -0.000566 12H 1pz 0.000001 -0.000003 0.000008 -0.000010 -0.000024 0.000004 12H 1px -0.000007 0.000002 -0.000001 0.000006 -0.000033 0.000037 12H 1py -0.000004 -0.000001 0.000003 0.000005 -0.000036 0.000022 13H 1s 0.000005 -0.000001 0.000005 -0.000007 -0.000020 -0.000004 13H 2s -0.000056 0.000032 -0.000070 -0.000007 0.000220 -0.000133 13H 3s -0.000004 -0.000049 0.000074 0.000003 -0.000029 -0.000065 13H 1pz -0.000008 0.000005 -0.000006 -0.000004 0.000007 0.000012 13H 1px -0.000001 -0.000003 0.000008 0.000001 0.000000 0.000008 13H 1py 0.000007 -0.000002 0.000003 0.000002 -0.000021 -0.000046 14H 1s 0.000002 -0.000012 0.000001 -0.000002 0.000026 0.000030 14H 2s -0.000031 0.000031 0.000003 0.000050 -0.000239 -0.000181 14H 3s 0.000072 0.000081 0.000033 -0.000072 -0.000100 -0.000440 14H 1pz -0.000010 0.000006 0.000004 0.000000 -0.000013 -0.000003 14H 1px -0.000004 -0.000002 0.000001 0.000008 -0.000038 0.000033 14H 1py 0.000001 -0.000009 -0.000006 0.000007 0.000029 -0.000018 15H 1s 0.000010 -0.000011 -0.000003 0.000004 0.000007 0.000064 15H 2s 0.000009 0.000028 -0.000004 0.000029 -0.000159 0.000022 15H 3s 0.000001 0.000029 0.000082 -0.000106 -0.000002 -0.000926 15H 1pz -0.000004 0.000002 0.000011 -0.000015 0.000009 -0.000048 15H 1px 0.000002 -0.000001 0.000003 -0.000001 -0.000016 0.000028 15H 1py -0.000001 -0.000003 -0.000006 0.000004 0.000034 -0.000042 16H 1s 0.000005 -0.000004 0.000030 -0.000019 -0.000091 0.000023 16H 2s -0.000097 0.000061 0.000103 0.000043 0.000971 -0.000657 16H 3s 0.000008 -0.000023 -0.000047 0.000019 -0.000214 0.000191 16H 1pz -0.000007 0.000012 0.000010 0.000005 0.000203 -0.000117 16H 1px -0.000021 0.000004 0.000012 -0.000011 -0.000092 0.000031 16H 1py 0.000006 0.000002 -0.000003 -0.000003 0.000014 -0.000002 17H 1s 0.000003 -0.000003 0.000030 -0.000019 -0.000091 0.000023 17H 2s -0.000088 0.000058 0.000114 0.000044 0.000937 -0.000630 17H 3s 0.000008 -0.000018 -0.000046 0.000019 -0.000231 0.000200 17H 1pz 0.000022 -0.000012 -0.000017 0.000003 -0.000094 0.000068 17H 1px -0.000004 -0.000006 -0.000003 -0.000013 -0.000193 0.000095 17H 1py 0.000005 0.000003 0.000000 -0.000002 0.000035 -0.000013 18H 1s -0.000003 0.000003 0.000017 -0.000031 0.000077 0.000054 18H 2s 0.000067 -0.000079 -0.000053 -0.000108 -0.000652 -0.000916 18H 3s -0.000016 0.000006 -0.000016 0.000047 0.000145 0.000269 18H 1pz 0.000014 -0.000020 0.000002 -0.000017 -0.000065 -0.000097 18H 1px 0.000006 0.000006 -0.000013 -0.000002 -0.000147 -0.000156 18H 1py -0.000001 -0.000006 -0.000002 -0.000000 0.000026 0.000021 19H 1s -0.000004 0.000005 0.000017 -0.000031 0.000077 0.000054 19H 2s 0.000075 -0.000086 -0.000049 -0.000101 -0.000677 -0.000961 19H 3s -0.000026 0.000005 -0.000017 0.000048 0.000132 0.000254 19H 1pz -0.000013 0.000005 0.000005 0.000010 0.000148 0.000181 19H 1px -0.000007 0.000020 -0.000010 0.000012 -0.000076 -0.000063 19H 1py -0.000002 -0.000006 -0.000003 -0.000002 0.000015 0.000012 20H 1s -0.000012 0.000008 -0.000004 0.000003 -0.000029 0.000057 20H 2s 0.000029 0.000015 -0.000029 0.000006 0.000146 0.000075 20H 3s 0.000026 0.000008 0.000101 -0.000088 0.000334 -0.000863 20H 1pz -0.000001 0.000004 -0.000015 0.000012 -0.000009 0.000048 20H 1px 0.000001 -0.000002 -0.000000 0.000003 -0.000006 -0.000033 20H 1py 0.000003 0.000002 0.000004 -0.000006 0.000018 0.000051 21H 1s -0.000012 0.000001 0.000002 -0.000001 -0.000036 0.000020 21H 2s 0.000033 -0.000024 -0.000049 0.000000 0.000288 -0.000083 21H 3s 0.000072 0.000085 0.000071 -0.000038 0.000255 -0.000384 21H 1pz -0.000007 0.000009 0.000000 0.000004 -0.000014 -0.000002 21H 1px 0.000002 0.000004 0.000008 0.000000 -0.000024 -0.000044 21H 1py 0.000009 0.000000 0.000007 -0.000007 0.000021 0.000026 22H 1s -0.000002 0.000005 0.000007 -0.000006 0.000020 0.000004 22H 2s 0.000039 -0.000053 0.000012 0.000070 -0.000157 -0.000203 22H 3s -0.000046 -0.000006 -0.000009 -0.000073 0.000052 -0.000045 22H 1pz -0.000006 0.000007 -0.000005 -0.000006 0.000011 -0.000009 22H 1px 0.000003 0.000002 0.000002 0.000008 0.000003 -0.000008 22H 1py 0.000003 -0.000007 0.000003 0.000003 -0.000035 0.000035 23H 1s 0.000007 -0.000001 0.000002 -0.000000 -0.000036 0.000028 23H 2s -0.000025 -0.000028 -0.000052 0.000004 0.000282 -0.000034 23H 3s 0.000010 -0.000044 0.000072 -0.000052 0.000286 -0.000513 23H 1pz 0.000003 -0.000001 -0.000010 0.000009 -0.000021 -0.000011 23H 1px -0.000003 0.000006 0.000005 -0.000002 -0.000017 -0.000047 23H 1py 0.000001 0.000005 0.000005 0.000002 -0.000027 -0.000034 24H 1s 0.000011 -0.000001 -0.000001 0.000003 -0.000032 0.000051 24H 2s 0.000031 -0.000019 -0.000037 0.000010 0.000204 0.000065 24H 3s -0.000066 -0.000076 0.000084 -0.000083 0.000331 -0.000809 24H 1pz 0.000001 -0.000002 -0.000004 0.000006 -0.000024 -0.000037 24H 1px -0.000010 0.000005 0.000007 -0.000004 -0.000010 -0.000065 24H 1py 0.000011 -0.000000 -0.000011 0.000010 -0.000009 0.000017 25H 1s 0.000001 -0.000003 0.000008 -0.000007 0.000017 -0.000002 25H 2s -0.000019 0.000043 0.000009 0.000069 -0.000150 -0.000185 25H 3s 0.000053 -0.000055 -0.000018 -0.000058 0.000067 0.000035 25H 1pz 0.000001 -0.000004 -0.000004 -0.000006 0.000030 -0.000038 25H 1px -0.000000 0.000001 0.000004 0.000008 0.000004 -0.000009 25H 1py 0.000003 -0.000002 -0.000002 -0.000002 0.000012 -0.000019 26O 1s 0.000005 -0.000000 -0.000003 -0.000001 0.000001 0.000006 26O 2s -0.000017 0.000001 0.000011 0.000003 -0.000008 -0.000038 26O 3s 0.000120 -0.000011 -0.000105 -0.000022 0.000069 0.000447 26O 4s -0.000199 0.000011 0.000408 0.000020 0.000464 -0.002042 26O 5s -0.001146 0.000193 0.000137 -0.000278 -0.005618 0.003856 26O 1pz 0.000033 0.000001 0.000013 -0.000008 0.000057 0.000001 26O 1px -0.000005 -0.000002 -0.000010 0.000002 -0.000068 -0.000006 26O 1py -0.000004 0.000003 0.000004 -0.000004 0.000010 -0.000003 26O 2pz -0.000011 0.000021 -0.000065 0.000063 -0.000043 -0.000067 26O 2px 0.000215 0.000012 -0.000065 0.000003 0.000631 0.000250 26O 2py 0.000148 -0.000007 -0.000066 0.000038 0.000204 0.000056 26O 3pz -0.000126 -0.000085 -0.000295 0.000207 -0.002519 0.002075 26O 3px 0.000727 -0.000187 -0.000724 0.000486 0.000600 0.000646 26O 3py -0.000099 -0.000039 -0.000433 0.000307 -0.001243 0.001446 26O 1dz2 0.000030 0.000010 0.000014 -0.000001 0.000040 -0.000010 26O 1dxz 0.000006 0.000000 -0.000018 -0.000008 -0.000001 -0.000030 26O 1dyz 0.000049 0.000005 0.000004 0.000002 0.000073 -0.000044 26O 1dx2y2 0.000006 0.000000 0.000000 0.000009 0.000004 0.000001 26O 1dxy 0.000012 -0.000003 -0.000013 0.000002 0.000020 -0.000033 26O 2dz2 -0.000045 -0.000031 -0.000056 0.000019 -0.000106 0.000137 26O 2dxz -0.000031 -0.000013 0.000086 0.000014 -0.000039 0.000115 26O 2dyz -0.000158 -0.000017 0.000007 0.000005 -0.000329 0.000204 26O 2dx2y2 -0.000067 0.000006 0.000011 -0.000033 -0.000075 -0.000115 26O 2dxy -0.000087 0.000012 0.000076 -0.000015 -0.000177 0.000044 26O 1f0 -0.000016 -0.000007 0.000006 0.000000 -0.000001 -0.000004 26O 1f+1 -0.000018 0.000003 0.000008 0.000002 -0.000027 0.000011 26O 1f-1 -0.000043 -0.000003 -0.000005 -0.000004 -0.000029 0.000011 26O 1f+2 0.000018 0.000003 -0.000011 -0.000000 0.000014 -0.000012 26O 1f-2 -0.000016 0.000003 -0.000002 -0.000000 -0.000016 0.000023 26O 1f+3 -0.000013 0.000003 -0.000006 -0.000001 -0.000014 -0.000001 26O 1f-3 -0.000008 0.000002 0.000007 0.000002 -0.000018 -0.000009 27O 1s -0.000004 0.000000 -0.000003 -0.000001 0.000002 0.000006 27O 2s 0.000014 -0.000000 0.000010 0.000003 -0.000011 -0.000036 27O 3s -0.000095 0.000006 -0.000102 -0.000018 0.000100 0.000441 27O 4s 0.000141 -0.000005 0.000387 -0.000001 0.000344 -0.002038 27O 5s 0.000985 -0.000148 0.000418 -0.000332 -0.005376 0.003425 27O 1pz -0.000033 -0.000000 0.000010 -0.000004 0.000047 -0.000002 27O 1px 0.000003 0.000001 -0.000004 -0.000002 -0.000057 -0.000017 27O 1py 0.000007 0.000005 -0.000012 0.000008 -0.000050 0.000004 27O 2pz 0.000072 -0.000017 -0.000039 0.000035 -0.000121 -0.000064 27O 2px -0.000205 -0.000014 -0.000133 0.000035 0.000635 0.000357 27O 2py 0.000084 -0.000006 0.000085 -0.000067 -0.000019 0.000004 27O 3pz -0.000010 0.000074 0.000000 0.000044 -0.001501 0.000986 27O 3px -0.000499 0.000166 -0.000800 0.000541 0.000380 0.000839 27O 3py -0.000335 -0.000038 0.000295 -0.000226 0.002142 -0.001839 27O 1dz2 0.000008 -0.000004 0.000005 -0.000003 -0.000025 0.000025 27O 1dxz -0.000012 -0.000003 -0.000011 -0.000008 0.000003 -0.000020 27O 1dyz 0.000048 0.000009 -0.000009 -0.000005 -0.000074 0.000034 27O 1dx2y2 0.000010 0.000004 -0.000013 0.000005 -0.000023 0.000004 27O 1dxy 0.000015 -0.000002 0.000018 0.000006 -0.000025 0.000044 27O 2dz2 -0.000066 0.000012 -0.000046 0.000017 0.000165 -0.000017 27O 2dxz 0.000031 0.000020 0.000045 0.000023 -0.000020 0.000119 27O 2dyz -0.000143 -0.000027 0.000022 0.000001 0.000308 -0.000165 27O 2dx2y2 0.000022 -0.000017 0.000072 -0.000036 0.000003 -0.000173 27O 2dxy -0.000065 -0.000000 -0.000101 -0.000008 0.000175 -0.000141 27O 1f0 -0.000019 0.000002 0.000009 0.000004 0.000019 -0.000005 27O 1f+1 0.000009 -0.000000 0.000007 0.000001 -0.000013 -0.000009 27O 1f-1 -0.000017 -0.000005 -0.000000 0.000001 0.000003 0.000006 27O 1f+2 -0.000024 -0.000006 -0.000001 0.000003 0.000010 -0.000011 27O 1f-2 -0.000023 0.000000 -0.000009 -0.000001 0.000022 -0.000024 27O 1f+3 0.000027 -0.000003 0.000004 0.000001 -0.000036 0.000012 27O 1f-3 -0.000004 -0.000004 -0.000012 -0.000000 0.000012 0.000008 28O 1s 0.000001 -0.000004 0.000001 0.000002 -0.000004 0.000005 28O 2s -0.000002 0.000015 -0.000003 -0.000008 0.000022 -0.000031 28O 3s 0.000020 -0.000102 0.000020 0.000093 -0.000229 0.000393 28O 4s -0.000032 0.000154 -0.000004 -0.000369 0.000302 -0.002085 28O 5s -0.000364 0.000958 0.000344 -0.000445 0.003549 0.004736 28O 1pz 0.000002 -0.000024 0.000007 -0.000008 -0.000014 -0.000017 28O 1px 0.000002 -0.000022 0.000000 -0.000009 -0.000075 -0.000006 28O 1py -0.000005 -0.000000 0.000004 -0.000009 -0.000039 -0.000013 28O 2pz 0.000005 -0.000110 -0.000070 0.000131 -0.000292 0.000078 28O 2px -0.000034 0.000197 0.000007 -0.000074 0.000596 -0.000179 28O 2py 0.000024 -0.000069 -0.000041 0.000053 0.000051 -0.000024 28O 3pz 0.000224 -0.000176 -0.000397 0.000618 0.000936 0.002453 28O 3px -0.000169 0.000452 0.000344 -0.000584 0.001179 0.000606 28O 3py -0.000044 0.000370 -0.000116 0.000179 0.001061 0.001863 28O 1dz2 -0.000001 -0.000030 0.000006 0.000011 -0.000010 -0.000039 28O 1dxz -0.000007 -0.000008 0.000000 -0.000019 -0.000018 0.000011 28O 1dyz 0.000002 -0.000043 -0.000001 -0.000002 -0.000051 -0.000071 28O 1dx2y2 0.000001 -0.000002 -0.000009 0.000000 -0.000004 0.000004 28O 1dxy -0.000003 -0.000022 -0.000009 -0.000015 -0.000031 -0.000009 28O 2dz2 0.000011 0.000093 -0.000020 -0.000060 0.000066 0.000180 28O 2dxz 0.000032 -0.000041 -0.000021 0.000108 -0.000072 0.000077 28O 2dyz -0.000005 0.000136 -0.000006 -0.000015 0.000228 0.000310 28O 2dx2y2 -0.000018 0.000041 0.000036 -0.000013 0.000095 -0.000108 28O 2dxy 0.000007 0.000062 0.000015 0.000063 0.000100 0.000048 28O 1f0 -0.000004 0.000015 -0.000001 -0.000004 0.000013 0.000010 28O 1f+1 0.000004 0.000018 -0.000002 -0.000013 0.000011 -0.000002 28O 1f-1 -0.000004 0.000041 0.000003 0.000002 0.000019 0.000040 28O 1f+2 0.000006 -0.000021 0.000000 0.000004 -0.000030 -0.000015 28O 1f-2 0.000003 0.000013 0.000003 0.000001 0.000007 -0.000007 28O 1f+3 0.000003 -0.000001 0.000001 -0.000001 -0.000010 0.000002 28O 1f-3 0.000000 -0.000002 -0.000003 -0.000013 0.000001 0.000010 29O 1s 0.000001 -0.000000 -0.000008 0.000003 0.000001 0.000008 29O 2s -0.000004 0.000000 0.000029 -0.000009 -0.000009 -0.000049 29O 3s 0.000023 0.000001 -0.000168 0.000052 0.000096 0.000419 29O 4s -0.000089 0.000008 0.000619 -0.000133 -0.000017 -0.001472 29O 5s 0.000287 -0.000113 -0.001654 0.000278 -0.000873 0.003512 29O 1pz -0.000000 -0.000001 -0.000009 0.000006 0.000008 0.000024 29O 1px -0.000005 0.000002 0.000022 -0.000016 -0.000035 -0.000058 29O 1py -0.000007 0.000002 -0.000008 0.000001 -0.000033 0.000019 29O 2pz 0.000004 0.000006 0.000021 -0.000016 0.000076 -0.000159 29O 2px 0.000021 -0.000017 -0.000050 0.000036 -0.000131 0.000388 29O 2py 0.000027 -0.000001 0.000040 -0.000001 0.000246 -0.000128 29O 3pz -0.000049 0.000008 -0.000199 0.000035 -0.000035 0.000393 29O 3px -0.000022 0.000018 0.000596 -0.000087 0.000324 -0.001332 29O 3py -0.000240 0.000093 0.000154 0.000025 0.000546 -0.000558 29O 1dz2 -0.000000 0.000000 0.000013 -0.000007 -0.000019 -0.000001 29O 1dxz -0.000003 0.000000 0.000013 -0.000011 -0.000037 0.000007 29O 1dyz 0.000001 -0.000001 0.000003 -0.000002 -0.000009 0.000002 29O 1dx2y2 0.000003 0.000000 -0.000015 0.000016 0.000070 -0.000024 29O 1dxy -0.000003 0.000001 -0.000012 0.000007 0.000023 -0.000003 29O 2dz2 -0.000002 -0.000004 -0.000024 0.000019 -0.000012 0.000046 29O 2dxz 0.000007 -0.000004 -0.000018 0.000028 0.000057 0.000015 29O 2dyz -0.000003 0.000000 -0.000005 0.000007 0.000012 0.000006 29O 2dx2y2 -0.000009 0.000001 0.000009 -0.000044 -0.000185 0.000051 29O 2dxy 0.000009 0.000001 0.000032 -0.000019 -0.000011 -0.000033 29O 1f0 -0.000001 0.000002 -0.000002 0.000003 0.000027 -0.000010 29O 1f+1 0.000001 -0.000001 0.000004 -0.000002 -0.000008 -0.000001 29O 1f-1 0.000000 0.000001 0.000011 -0.000001 0.000033 -0.000026 29O 1f+2 0.000001 -0.000001 0.000011 -0.000006 -0.000025 0.000000 29O 1f-2 0.000001 0.000001 0.000010 -0.000002 0.000017 -0.000017 29O 1f+3 0.000003 -0.000002 0.000012 -0.000009 -0.000042 0.000008 29O 1f-3 0.000000 0.000000 0.000005 -0.000002 -0.000010 0.000001 30O 1s -0.000001 0.000005 0.000001 0.000003 -0.000003 0.000005 30O 2s 0.000003 -0.000016 -0.000004 -0.000009 0.000020 -0.000033 30O 3s -0.000026 0.000110 0.000024 0.000096 -0.000205 0.000398 30O 4s 0.000045 -0.000179 -0.000026 -0.000389 0.000195 -0.002088 30O 5s 0.000355 -0.001002 0.000335 -0.000190 0.003774 0.005511 30O 1pz -0.000004 0.000024 0.000003 -0.000002 -0.000002 -0.000004 30O 1px -0.000002 0.000023 0.000003 -0.000015 -0.000083 -0.000017 30O 1py -0.000003 -0.000005 -0.000006 0.000007 0.000021 0.000004 30O 2pz 0.000009 0.000057 -0.000038 0.000065 -0.000253 -0.000016 30O 2px 0.000033 -0.000176 -0.000018 -0.000024 0.000576 -0.000079 30O 2py 0.000028 -0.000153 0.000060 -0.000088 0.000212 0.000052 30O 3pz -0.000206 0.000350 -0.000317 0.000546 0.000472 0.001770 30O 3px 0.000181 -0.000561 0.000286 -0.000440 0.001435 0.001264 30O 3py 0.000068 0.000109 0.000371 -0.000603 -0.001104 -0.002748 30O 1dz2 0.000004 -0.000007 0.000007 0.000007 0.000021 0.000009 30O 1dxz 0.000004 0.000008 0.000003 -0.000011 -0.000012 -0.000001 30O 1dyz 0.000001 -0.000048 0.000002 -0.000003 0.000044 0.000076 30O 1dx2y2 0.000002 -0.000008 -0.000011 -0.000011 0.000001 0.000029 30O 1dxy -0.000004 -0.000026 0.000002 0.000020 0.000037 0.000013 30O 2dz2 -0.000020 0.000034 -0.000016 -0.000022 -0.000105 -0.000022 30O 2dxz -0.000020 0.000027 -0.000024 0.000056 -0.000053 0.000080 30O 2dyz -0.000007 0.000178 -0.000004 0.000047 -0.000261 -0.000298 30O 2dx2y2 0.000005 0.000013 0.000035 0.000050 0.000020 -0.000182 30O 2dxy 0.000022 0.000035 0.000015 -0.000091 -0.000044 -0.000130 30O 1f0 0.000001 0.000018 -0.000004 -0.000005 0.000003 -0.000018 30O 1f+1 -0.000001 -0.000009 -0.000002 -0.000011 0.000001 0.000007 30O 1f-1 -0.000001 0.000014 0.000000 -0.000001 -0.000003 -0.000015 30O 1f+2 -0.000007 0.000029 -0.000003 -0.000006 -0.000023 -0.000030 30O 1f-2 -0.000001 0.000034 -0.000001 0.000002 -0.000026 -0.000003 30O 1f+3 -0.000002 -0.000016 -0.000001 -0.000010 0.000006 0.000012 30O 1f-3 -0.000006 0.000011 0.000003 0.000008 -0.000021 -0.000021 31O 1s 0.000004 -0.000000 -0.000003 -0.000001 0.000001 0.000006 31O 2s -0.000016 0.000001 0.000010 0.000003 -0.000007 -0.000038 31O 3s 0.000108 -0.000012 -0.000098 -0.000018 0.000048 0.000447 31O 4s -0.000178 0.000022 0.000391 0.000001 0.000567 -0.002029 31O 5s -0.000992 0.000234 0.000167 -0.000343 -0.005457 0.003809 31O 1pz -0.000025 0.000001 -0.000002 0.000004 -0.000003 0.000003 31O 1px -0.000022 -0.000001 -0.000014 0.000004 -0.000083 -0.000014 31O 1py 0.000004 0.000004 0.000007 -0.000006 0.000021 0.000003 31O 2pz -0.000048 -0.000015 0.000062 -0.000042 -0.000240 -0.000076 31O 2px 0.000171 -0.000009 -0.000025 -0.000016 0.000507 0.000280 31O 2py 0.000151 -0.000007 -0.000084 0.000065 0.000215 0.000028 31O 3pz -0.000380 0.000161 0.000525 -0.000350 0.001081 -0.001496 31O 3px 0.000552 -0.000112 -0.000420 0.000312 0.001780 -0.000669 31O 3py -0.000103 -0.000093 -0.000580 0.000408 -0.002023 0.002187 31O 1dz2 -0.000006 0.000003 -0.000007 -0.000006 -0.000022 0.000001 31O 1dxz 0.000006 0.000005 0.000011 -0.000004 0.000012 0.000003 31O 1dyz -0.000046 -0.000005 0.000003 -0.000002 -0.000068 0.000055 31O 1dx2y2 -0.000008 0.000001 0.000011 0.000010 -0.000011 0.000027 31O 1dxy -0.000024 -0.000008 -0.000021 -0.000001 -0.000040 -0.000001 31O 2dz2 0.000032 -0.000015 0.000023 0.000014 0.000106 0.000017 31O 2dxz 0.000029 -0.000018 -0.000055 0.000027 0.000019 0.000095 31O 2dyz 0.000170 0.000016 -0.000047 0.000007 0.000348 -0.000186 31O 2dx2y2 0.000010 0.000008 -0.000052 -0.000032 0.000047 -0.000177 31O 2dxy 0.000031 0.000028 0.000090 -0.000020 0.000090 -0.000108 31O 1f0 -0.000017 -0.000003 -0.000005 -0.000003 -0.000004 0.000018 31O 1f+1 0.000009 0.000002 -0.000011 -0.000002 0.000004 -0.000006 31O 1f-1 -0.000014 -0.000000 -0.000001 0.000000 -0.000008 0.000013 31O 1f+2 -0.000029 0.000003 -0.000006 -0.000002 -0.000033 0.000019 31O 1f-2 -0.000032 -0.000004 0.000002 -0.000001 -0.000026 -0.000006 31O 1f+3 0.000014 0.000004 -0.000010 -0.000000 0.000010 -0.000009 31O 1f-3 -0.000010 0.000005 0.000008 0.000002 -0.000027 0.000012 32O 1s -0.000000 0.000001 -0.000002 0.000009 -0.000004 0.000007 32O 2s 0.000001 -0.000004 0.000007 -0.000029 0.000026 -0.000043 32O 3s -0.000002 0.000022 -0.000042 0.000171 -0.000238 0.000358 32O 4s 0.000020 -0.000085 0.000094 -0.000627 0.000537 -0.001372 32O 5s -0.000149 0.000261 -0.000171 0.001668 -0.000427 0.003592 32O 1pz 0.000000 0.000000 0.000006 -0.000009 0.000017 -0.000019 32O 1px -0.000003 0.000004 -0.000015 0.000024 -0.000053 0.000042 32O 1py -0.000003 0.000007 0.000000 -0.000008 -0.000025 -0.000029 32O 2pz -0.000005 -0.000003 -0.000015 0.000021 0.000011 0.000170 32O 2px 0.000020 -0.000017 0.000033 -0.000053 0.000014 -0.000410 32O 2py 0.000004 -0.000028 0.000002 0.000039 0.000186 0.000206 32O 3pz -0.000017 0.000038 0.000021 -0.000201 0.000102 -0.000385 32O 3px -0.000022 0.000014 -0.000050 0.000601 -0.000171 0.001359 32O 3py -0.000124 0.000227 0.000035 0.000152 0.000313 0.000716 32O 1dz2 0.000000 -0.000000 0.000006 -0.000013 0.000018 0.000006 32O 1dxz 0.000001 -0.000002 0.000010 -0.000014 0.000032 0.000019 32O 1dyz -0.000001 0.000001 0.000002 -0.000003 0.000007 0.000004 32O 1dx2y2 -0.000000 0.000003 -0.000015 0.000016 -0.000057 -0.000047 32O 1dxy 0.000002 -0.000003 -0.000006 0.000012 -0.000021 -0.000011 32O 2dz2 -0.000003 -0.000003 -0.000017 0.000025 -0.000005 0.000047 32O 2dxz -0.000004 0.000006 -0.000027 0.000020 -0.000058 -0.000006 32O 2dyz 0.000000 -0.000004 -0.000007 0.000006 -0.000010 0.000007 32O 2dx2y2 0.000002 -0.000008 0.000043 -0.000012 0.000156 0.000114 32O 2dxy -0.000001 0.000009 0.000016 -0.000033 0.000023 -0.000025 32O 1f0 -0.000002 0.000001 0.000003 -0.000003 0.000020 0.000017 32O 1f+1 0.000001 -0.000001 -0.000002 0.000004 -0.000009 -0.000003 32O 1f-1 -0.000001 -0.000001 -0.000000 0.000011 0.000022 0.000037 32O 1f+2 0.000002 -0.000001 -0.000006 0.000011 -0.000024 -0.000011 32O 1f-2 -0.000001 -0.000001 -0.000002 0.000010 0.000010 0.000022 32O 1f+3 0.000003 -0.000003 -0.000008 0.000013 -0.000036 -0.000021 32O 1f-3 -0.000000 -0.000001 -0.000002 0.000005 -0.000009 -0.000004 33O 1s -0.000005 0.000000 -0.000002 -0.000001 0.000002 0.000006 33O 2s 0.000016 -0.000000 0.000009 0.000003 -0.000010 -0.000037 33O 3s -0.000108 0.000006 -0.000094 -0.000014 0.000073 0.000449 33O 4s 0.000163 -0.000010 0.000369 -0.000019 0.000460 -0.002058 33O 5s 0.001044 -0.000216 0.000425 -0.000374 -0.004991 0.003155 33O 1pz 0.000025 0.000001 -0.000008 0.000007 -0.000019 0.000011 33O 1px 0.000023 0.000001 -0.000009 0.000001 -0.000072 -0.000021 33O 1py 0.000001 0.000005 -0.000009 0.000005 -0.000041 -0.000002 33O 2pz 0.000117 0.000011 0.000127 -0.000078 -0.000244 -0.000178 33O 2px -0.000207 0.000006 -0.000074 0.000012 0.000493 0.000381 33O 2py 0.000070 -0.000015 0.000050 -0.000044 0.000037 0.000041 33O 3pz 0.000198 -0.000191 0.000590 -0.000435 0.001753 -0.001964 33O 3px -0.000499 0.000096 -0.000562 0.000381 0.001312 -0.000143 33O 3py -0.000372 -0.000002 0.000170 -0.000127 0.001660 -0.001369 33O 1dz2 -0.000030 -0.000005 -0.000012 -0.000006 0.000023 -0.000033 33O 1dxz -0.000007 -0.000008 0.000019 -0.000001 0.000013 0.000016 33O 1dyz -0.000045 -0.000004 0.000002 0.000001 0.000073 -0.000048 33O 1dx2y2 -0.000002 0.000001 0.000001 0.000009 0.000002 0.000005 33O 1dxy -0.000022 -0.000006 0.000016 0.000008 0.000032 0.000003 33O 2dz2 0.000092 0.000024 0.000061 0.000016 -0.000125 0.000145 33O 2dxz -0.000047 0.000025 -0.000106 0.000028 0.000038 0.000098 33O 2dyz 0.000144 0.000013 0.000016 0.000005 -0.000323 0.000209 33O 2dx2y2 0.000045 -0.000011 0.000011 -0.000036 -0.000050 -0.000136 33O 2dxy 0.000062 0.000016 -0.000064 -0.000011 -0.000111 0.000010 33O 1f0 -0.000016 0.000002 -0.000004 -0.000001 0.000016 -0.000005 33O 1f+1 -0.000017 -0.000006 -0.000013 -0.000001 0.000009 0.000006 33O 1f-1 -0.000043 -0.000002 0.000002 0.000003 0.000031 -0.000030 33O 1f+2 0.000023 -0.000003 0.000004 0.000000 -0.000034 0.000003 33O 1f-2 -0.000013 -0.000005 0.000001 0.000003 0.000004 0.000009 33O 1f+3 0.000001 -0.000003 -0.000001 0.000001 -0.000008 -0.000006 33O 1f-3 0.000002 0.000000 -0.000013 -0.000002 0.000005 -0.000009 34O 1s 0.000001 -0.000004 0.000001 0.000003 -0.000004 0.000005 34O 2s -0.000002 0.000015 -0.000004 -0.000009 0.000023 -0.000030 34O 3s 0.000018 -0.000099 0.000024 0.000100 -0.000249 0.000379 34O 4s -0.000023 0.000148 -0.000024 -0.000387 0.000398 -0.002034 34O 5s -0.000272 0.001011 0.000305 -0.000435 0.003818 0.005111 34O 1pz -0.000004 0.000032 -0.000004 0.000010 0.000043 0.000018 34O 1px -0.000001 -0.000004 -0.000002 -0.000003 -0.000059 -0.000005 34O 1py -0.000004 -0.000010 0.000007 -0.000012 -0.000045 -0.000021 34O 2pz 0.000027 -0.000067 0.000033 -0.000041 -0.000136 0.000017 34O 2px -0.000015 0.000217 0.000027 -0.000134 0.000721 -0.000109 34O 2py 0.000018 -0.000083 -0.000061 0.000089 -0.000019 -0.000010 34O 3pz -0.000076 -0.000021 0.000043 -0.000003 -0.001058 -0.001455 34O 3px -0.000225 0.000500 0.000488 -0.000833 0.000648 -0.000655 34O 3py -0.000012 0.000338 -0.000206 0.000310 0.001359 0.002480 34O 1dz2 -0.000005 0.000009 0.000003 -0.000005 0.000014 0.000032 34O 1dxz -0.000002 -0.000013 0.000009 0.000010 0.000005 -0.000019 34O 1dyz 0.000002 0.000051 0.000006 0.000009 0.000057 0.000058 34O 1dx2y2 0.000002 0.000012 -0.000004 0.000013 0.000020 0.000011 34O 1dxy -0.000004 0.000015 -0.000007 -0.000018 0.000008 0.000050 34O 2dz2 0.000021 -0.000069 -0.000014 0.000047 -0.000149 -0.000074 34O 2dxz 0.000016 0.000033 -0.000026 -0.000043 -0.000024 0.000119 34O 2dyz -0.000006 -0.000152 -0.000003 -0.000022 -0.000230 -0.000264 34O 2dx2y2 -0.000018 0.000020 0.000031 -0.000074 0.000058 -0.000163 34O 2dxy 0.000009 -0.000069 0.000014 0.000100 -0.000114 -0.000193 34O 1f0 -0.000004 0.000020 0.000004 0.000009 0.000016 0.000012 34O 1f+1 0.000001 -0.000009 0.000002 0.000007 -0.000015 0.000004 34O 1f-1 0.000002 0.000017 0.000001 -0.000000 0.000005 -0.000005 34O 1f+2 0.000002 0.000026 0.000003 -0.000001 0.000006 0.000014 34O 1f-2 -0.000003 0.000024 -0.000001 -0.000009 0.000012 0.000030 34O 1f+3 0.000007 -0.000027 0.000001 0.000004 -0.000029 -0.000024 34O 1f-3 0.000003 0.000005 -0.000001 -0.000012 0.000014 -0.000004 35O 1s -0.000001 0.000005 0.000001 0.000003 -0.000003 0.000005 35O 2s 0.000003 -0.000016 -0.000004 -0.000010 0.000021 -0.000033 35O 3s -0.000027 0.000112 0.000028 0.000103 -0.000222 0.000395 35O 4s 0.000037 -0.000188 -0.000047 -0.000407 0.000287 -0.002078 35O 5s 0.000352 -0.001063 0.000266 -0.000162 0.003875 0.005572 35O 1pz 0.000003 -0.000033 -0.000007 0.000014 0.000053 0.000019 35O 1px 0.000001 0.000005 0.000001 -0.000010 -0.000066 -0.000018 35O 1py -0.000004 0.000004 -0.000004 0.000005 0.000008 0.000006 35O 2pz -0.000022 0.000011 0.000058 -0.000069 -0.000063 0.000047 35O 2px 0.000016 -0.000204 -0.000002 -0.000067 0.000677 -0.000014 35O 2py 0.000025 -0.000144 0.000033 -0.000069 0.000211 0.000018 35O 3pz 0.000068 0.000119 0.000188 -0.000306 -0.001624 -0.002830 35O 3px 0.000287 -0.000672 0.000438 -0.000756 0.000784 -0.000401 35O 3py 0.000031 0.000116 0.000279 -0.000453 -0.000657 -0.001799 35O 1dz2 0.000006 0.000030 0.000000 -0.000014 -0.000034 -0.000024 35O 1dxz -0.000001 0.000006 0.000009 0.000018 0.000012 -0.000027 35O 1dyz -0.000002 0.000046 -0.000002 -0.000004 -0.000053 -0.000067 35O 1dx2y2 -0.000001 0.000007 -0.000009 0.000000 -0.000004 -0.000000 35O 1dxy -0.000005 0.000011 -0.000001 0.000013 -0.000007 -0.000038 35O 2dz2 -0.000025 -0.000048 -0.000016 0.000057 0.000051 0.000167 35O 2dxz -0.000009 -0.000032 -0.000019 -0.000085 -0.000005 0.000120 35O 2dyz 0.000003 -0.000152 -0.000005 -0.000008 0.000236 0.000307 35O 2dx2y2 0.000016 -0.000065 0.000032 -0.000013 0.000109 -0.000082 35O 2dxy 0.000023 -0.000080 0.000010 -0.000078 0.000149 0.000102 35O 1f0 0.000004 0.000017 0.000001 0.000006 -0.000002 0.000004 35O 1f+1 -0.000006 0.000017 0.000003 0.000008 -0.000021 -0.000020 35O 1f-1 -0.000003 0.000041 -0.000004 -0.000004 -0.000023 -0.000020 35O 1f+2 -0.000000 -0.000017 -0.000001 -0.000011 0.000009 0.000017 35O 1f-2 -0.000005 0.000015 -0.000000 -0.000002 -0.000007 -0.000028 35O 1f+3 -0.000005 0.000012 -0.000002 -0.000006 -0.000013 -0.000004 35O 1f-3 -0.000003 0.000007 0.000002 0.000007 -0.000020 0.000002 12 13 14 15 16 17 -19.08233 -19.08223 -19.06690 -19.06685 -19.06592 -19.06592 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s 0.000002 0.000004 0.000001 -0.000003 -0.000001 -0.000003 0Rh 2s 0.000022 0.000046 0.000008 -0.000036 -0.000007 -0.000036 0Rh 3s 0.000026 0.000056 0.000009 -0.000044 -0.000009 -0.000044 0Rh 4s -0.000091 -0.000184 -0.000027 0.000143 0.000032 0.000142 0Rh 5s 0.000207 0.000340 0.000016 -0.000253 -0.000087 -0.000242 0Rh 6s -0.000425 -0.000509 -0.000022 0.000357 0.000122 0.000341 0Rh 7s 0.001245 0.002959 0.000193 -0.001307 -0.000199 -0.001216 0Rh 8s -0.002064 0.000769 -0.000060 -0.000245 -0.000357 -0.000235 0Rh 1pz 0.000003 0.000001 0.000005 0.000001 0.000003 -0.000001 0Rh 1px -0.000008 -0.000002 -0.000001 -0.000001 0.000000 -0.000001 0Rh 1py -0.000000 -0.000001 0.000003 0.000000 -0.000004 0.000001 0Rh 2pz -0.000015 -0.000003 -0.000025 -0.000003 -0.000016 0.000003 0Rh 2px 0.000042 0.000011 0.000005 0.000004 -0.000000 0.000004 0Rh 2py 0.000002 0.000004 -0.000014 -0.000001 0.000022 -0.000005 0Rh 3pz 0.000084 0.000015 0.000143 0.000019 0.000092 -0.000015 0Rh 3px -0.000232 -0.000065 -0.000029 -0.000028 0.000001 -0.000025 0Rh 3py -0.000012 -0.000022 0.000080 0.000003 -0.000126 0.000028 0Rh 4pz -0.000199 -0.000035 -0.000288 -0.000045 -0.000187 0.000027 0Rh 4px 0.000545 0.000154 0.000086 0.000074 0.000024 0.000061 0Rh 4py 0.000021 0.000054 -0.000153 -0.000002 0.000248 -0.000053 0Rh 5pz 0.000331 0.000027 0.000203 0.000041 0.000140 -0.000015 0Rh 5px -0.000903 -0.000154 -0.000196 -0.000114 -0.000138 -0.000069 0Rh 5py -0.000024 -0.000072 0.000065 -0.000016 -0.000143 0.000034 0Rh 6pz -0.002719 0.001037 -0.003382 -0.000334 -0.002112 0.000492 0Rh 6px 0.007449 -0.003277 0.001372 0.000589 0.000563 0.000224 0Rh 6py 0.000437 -0.000519 -0.001668 0.000074 0.002764 -0.000597 0Rh 1dz2 0.000002 -0.000000 0.000001 -0.000002 0.000000 0.000002 0Rh 1dxz 0.000002 -0.000001 0.000001 0.000001 0.000001 -0.000000 0Rh 1dyz 0.000001 -0.000000 0.000003 -0.000005 -0.000000 0.000005 0Rh 1dx2y2 -0.000004 0.000001 -0.000001 -0.000000 -0.000001 0.000002 0Rh 1dxy -0.000003 -0.000000 0.000001 -0.000001 -0.000002 0.000001 0Rh 2dz2 -0.000010 0.000002 -0.000001 0.000012 -0.000003 -0.000007 0Rh 2dxz -0.000012 0.000004 -0.000006 -0.000003 -0.000005 0.000001 0Rh 2dyz -0.000006 0.000000 -0.000006 0.000022 -0.000005 -0.000023 0Rh 2dx2y2 0.000020 -0.000006 0.000001 0.000001 0.000001 -0.000008 0Rh 2dxy 0.000017 0.000000 -0.000002 0.000006 0.000005 -0.000006 0Rh 3dz2 0.000030 -0.000006 -0.000008 -0.000033 0.000011 0.000019 0Rh 3dxz 0.000035 -0.000010 0.000012 0.000006 0.000009 -0.000002 0Rh 3dyz 0.000017 -0.000000 -0.000001 -0.000063 0.000029 0.000060 0Rh 3dx2y2 -0.000059 0.000017 0.000000 -0.000002 0.000005 0.000020 0Rh 3dxy -0.000049 -0.000001 0.000001 -0.000017 -0.000004 0.000016 0Rh 4dz2 -0.000066 0.000012 0.000070 0.000072 -0.000043 -0.000040 0Rh 4dxz -0.000076 0.000020 0.000008 0.000002 0.000016 0.000002 0Rh 4dyz -0.000037 0.000001 0.000099 0.000147 -0.000141 -0.000110 0Rh 4dx2y2 0.000124 -0.000035 -0.000029 -0.000000 -0.000058 -0.000029 0Rh 4dxy 0.000106 0.000003 0.000023 0.000046 -0.000053 -0.000033 0Rh 5dz2 0.000105 -0.000083 -0.000039 -0.000226 0.000087 0.000145 0Rh 5dxz 0.000096 -0.000116 -0.000047 -0.000183 -0.000065 -0.000145 0Rh 5dyz 0.000061 -0.000018 -0.000054 -0.000511 0.000178 0.000402 0Rh 5dx2y2 -0.000164 0.000184 0.000044 0.000085 0.000053 0.000168 0Rh 5dxy -0.000200 0.000038 -0.000041 -0.000210 0.000154 0.000288 0Rh 1f0 0.000029 -0.000006 -0.000002 -0.000003 -0.000008 0.000004 0Rh 1f+1 -0.000023 0.000005 0.000008 -0.000011 -0.000001 -0.000002 0Rh 1f-1 -0.000008 0.000001 0.000012 -0.000008 0.000001 -0.000001 0Rh 1f+2 -0.000043 0.000009 -0.000008 0.000013 -0.000002 0.000008 0Rh 1f-2 -0.000013 0.000003 0.000011 -0.000009 -0.000007 0.000019 0Rh 1f+3 -0.000048 0.000010 0.000004 0.000001 0.000008 -0.000014 0Rh 1f-3 -0.000021 0.000005 0.000000 -0.000002 0.000004 0.000004 1Rh 1s 0.000004 0.000002 0.000003 -0.000001 0.000003 -0.000001 1Rh 2s 0.000045 0.000023 0.000036 -0.000009 0.000033 -0.000016 1Rh 3s 0.000055 0.000028 0.000043 -0.000010 0.000040 -0.000018 1Rh 4s -0.000181 -0.000098 -0.000142 0.000030 -0.000134 0.000058 1Rh 5s 0.000332 0.000220 0.000253 -0.000022 0.000246 -0.000073 1Rh 6s -0.000494 -0.000444 -0.000357 0.000030 -0.000347 0.000103 1Rh 7s 0.002911 0.001354 0.001303 -0.000226 0.001097 -0.000558 1Rh 8s 0.000843 -0.002037 0.000246 0.000066 0.000399 0.000164 1Rh 1pz -0.000000 -0.000003 0.000001 0.000005 0.000001 0.000003 1Rh 1px 0.000002 0.000009 -0.000001 -0.000001 -0.000001 0.000000 1Rh 1py 0.000001 0.000001 0.000000 0.000003 -0.000002 -0.000004 1Rh 2pz 0.000002 0.000015 -0.000004 -0.000024 -0.000007 -0.000015 1Rh 2px -0.000010 -0.000042 0.000005 0.000005 0.000003 -0.000002 1Rh 2py -0.000004 -0.000003 -0.000001 -0.000014 0.000009 0.000021 1Rh 3pz -0.000012 -0.000085 0.000023 0.000142 0.000041 0.000084 1Rh 3px 0.000056 0.000234 -0.000028 -0.000029 -0.000020 0.000015 1Rh 3py 0.000021 0.000013 0.000004 0.000080 -0.000051 -0.000119 1Rh 4pz 0.000028 0.000200 -0.000051 -0.000287 -0.000087 -0.000168 1Rh 4px -0.000134 -0.000550 0.000076 0.000084 0.000064 -0.000016 1Rh 4py -0.000053 -0.000023 -0.000005 -0.000154 0.000103 0.000232 1Rh 5pz -0.000015 -0.000332 0.000045 0.000203 0.000070 0.000123 1Rh 5px 0.000121 0.000908 -0.000117 -0.000193 -0.000136 -0.000072 1Rh 5py 0.000072 0.000028 -0.000014 0.000066 -0.000057 -0.000136 1Rh 6pz -0.001132 0.002681 -0.000411 -0.003377 -0.000837 -0.002003 1Rh 6px 0.003545 -0.007324 0.000618 0.001359 0.000512 0.000329 1Rh 6py 0.000539 -0.000430 0.000037 -0.001674 0.001135 0.002582 1Rh 1dz2 -0.000001 0.000002 0.000002 -0.000001 -0.000001 0.000001 1Rh 1dxz -0.000001 0.000002 -0.000001 -0.000001 -0.000001 -0.000001 1Rh 1dyz -0.000000 0.000001 0.000005 -0.000003 -0.000004 0.000003 1Rh 1dx2y2 0.000001 -0.000004 0.000000 0.000001 -0.000001 0.000002 1Rh 1dxy 0.000000 -0.000003 0.000001 -0.000001 -0.000000 0.000002 1Rh 2dz2 0.000003 -0.000010 -0.000012 0.000001 0.000007 -0.000002 1Rh 2dxz 0.000004 -0.000012 0.000003 0.000006 0.000002 0.000005 1Rh 2dyz 0.000000 -0.000006 -0.000022 0.000007 0.000022 -0.000009 1Rh 2dx2y2 -0.000007 0.000020 -0.000001 -0.000001 0.000006 -0.000006 1Rh 2dxy -0.000000 0.000017 -0.000006 0.000002 0.000002 -0.000008 1Rh 3dz2 -0.000007 0.000030 0.000033 0.000007 -0.000022 0.000003 1Rh 3dxz -0.000011 0.000035 -0.000006 -0.000012 -0.000004 -0.000008 1Rh 3dyz -0.000001 0.000018 0.000063 -0.000001 -0.000066 0.000012 1Rh 3dx2y2 0.000019 -0.000058 0.000002 -0.000001 -0.000019 0.000007 1Rh 3dxy 0.000001 -0.000049 0.000017 -0.000001 -0.000011 0.000013 1Rh 4dz2 0.000015 -0.000065 -0.000074 -0.000069 0.000057 0.000011 1Rh 4dxz 0.000023 -0.000075 -0.000002 -0.000008 -0.000011 -0.000012 1Rh 4dyz 0.000002 -0.000037 -0.000149 -0.000095 0.000172 0.000050 1Rh 4dx2y2 -0.000039 0.000122 0.000001 0.000030 0.000057 0.000031 1Rh 4dxy -0.000001 0.000106 -0.000046 -0.000022 0.000058 0.000024 1Rh 5dz2 -0.000086 0.000101 0.000227 0.000036 -0.000169 0.000015 1Rh 5dxz -0.000120 0.000093 0.000184 0.000043 0.000155 -0.000030 1Rh 5dyz -0.000019 0.000061 0.000512 0.000043 -0.000431 0.000090 1Rh 5dx2y2 0.000190 -0.000156 -0.000085 -0.000044 -0.000166 0.000053 1Rh 5dxy 0.000045 -0.000198 0.000211 0.000036 -0.000324 0.000044 1Rh 1f0 0.000007 -0.000029 -0.000003 -0.000002 -0.000002 -0.000009 1Rh 1f+1 -0.000006 0.000023 -0.000011 0.000008 -0.000002 0.000000 1Rh 1f-1 -0.000001 0.000008 -0.000008 0.000012 -0.000000 0.000001 1Rh 1f+2 -0.000011 0.000043 0.000013 -0.000008 0.000005 -0.000006 1Rh 1f-2 -0.000004 0.000013 -0.000009 0.000011 0.000011 -0.000017 1Rh 1f+3 -0.000012 0.000048 0.000001 0.000004 -0.000006 0.000014 1Rh 1f-3 -0.000006 0.000021 -0.000002 0.000000 0.000006 0.000001 2C 1s 0.000000 -0.000000 -0.000013 0.000001 0.000000 -0.000001 2C 2s -0.000003 0.000000 0.000064 -0.000004 -0.000000 0.000005 2C 3s 0.000181 0.000123 -0.000302 0.000062 0.000004 -0.000082 2C 4s -0.000944 -0.000756 -0.000927 -0.000260 -0.000099 0.000496 2C 5s 0.001854 0.002173 0.005775 -0.003325 -0.000324 0.000246 2C 1pz 0.000010 0.000010 -0.000116 0.000018 -0.000002 -0.000008 2C 1px 0.000017 -0.000003 -0.000071 0.000001 -0.000001 0.000001 2C 1py 0.000006 0.000001 -0.000072 0.000011 0.000007 0.000005 2C 2pz -0.000420 -0.000394 -0.000699 -0.000131 -0.000002 0.000189 2C 2px -0.000128 -0.000183 0.000117 -0.000012 0.000013 0.000017 2C 2py -0.000235 -0.000263 -0.000597 -0.000099 -0.000169 0.000000 2C 3pz 0.000330 0.000520 0.001502 -0.000720 -0.000130 -0.000039 2C 3px 0.000235 0.000205 -0.000310 -0.000183 -0.000034 -0.000017 2C 3py 0.000244 0.000314 0.000623 -0.000501 0.000176 0.000152 2C 1dz2 -0.000012 -0.000007 -0.000041 0.000001 0.000008 0.000009 2C 1dxz 0.000000 -0.000014 0.000018 -0.000003 -0.000003 0.000001 2C 1dyz -0.000015 -0.000013 -0.000053 -0.000003 -0.000007 0.000000 2C 1dx2y2 0.000006 0.000008 -0.000005 0.000000 0.000010 -0.000006 2C 1dxy 0.000002 -0.000007 -0.000018 -0.000002 0.000004 0.000005 2C 2dz2 -0.000107 -0.000090 -0.000128 -0.000007 0.000005 0.000024 2C 2dxz 0.000016 0.000021 -0.000647 -0.000034 -0.000016 0.000002 2C 2dyz -0.000152 -0.000185 -0.000059 0.000013 -0.000026 0.000006 2C 2dx2y2 0.000023 -0.000016 0.000486 0.000026 0.000009 0.000002 2C 2dxy -0.000030 -0.000027 -0.000026 0.000002 0.000009 0.000000 2C 1f0 -0.000017 -0.000001 -0.000032 0.000000 0.000007 0.000009 2C 1f+1 -0.000001 -0.000017 -0.000075 -0.000006 0.000008 0.000011 2C 1f-1 -0.000030 -0.000017 -0.000020 0.000005 0.000001 0.000001 2C 1f+2 0.000023 0.000014 0.000040 0.000001 0.000008 -0.000002 2C 1f-2 0.000000 -0.000015 -0.000004 -0.000007 0.000005 0.000004 2C 1f+3 0.000009 -0.000006 -0.000001 0.000002 -0.000004 -0.000001 2C 1f-3 -0.000006 -0.000007 -0.000045 -0.000002 -0.000009 0.000002 3C 1s -0.000000 0.000000 0.000000 -0.000001 -0.000012 0.000005 3C 2s 0.000002 -0.000001 -0.000002 0.000005 0.000058 -0.000023 3C 3s 0.000118 0.000158 0.000032 -0.000095 -0.000269 0.000148 3C 4s -0.000746 -0.000835 -0.000249 0.000549 -0.000958 0.000025 3C 5s 0.001905 0.001890 -0.000617 -0.000128 0.004743 -0.004685 3C 1pz -0.000002 0.000004 -0.000006 -0.000009 -0.000032 0.000022 3C 1px 0.000013 -0.000001 0.000004 -0.000001 -0.000067 0.000025 3C 1py -0.000008 -0.000016 -0.000007 -0.000001 0.000121 -0.000055 3C 2pz -0.000206 -0.000160 0.000061 0.000214 -0.000668 0.000102 3C 2px -0.000124 -0.000214 -0.000064 0.000074 -0.000237 0.000027 3C 2py 0.000431 0.000417 0.000150 -0.000083 0.000566 -0.000046 3C 3pz 0.000260 0.000204 -0.000222 -0.000194 0.000649 -0.000611 3C 3px 0.000155 0.000117 0.000035 -0.000005 -0.000292 -0.000235 3C 3py -0.000475 -0.000462 -0.000010 -0.000111 -0.001215 0.001079 3C 1dz2 -0.000004 0.000002 0.000007 0.000014 0.000030 -0.000009 3C 1dxz -0.000004 -0.000011 0.000000 0.000002 0.000000 -0.000002 3C 1dyz 0.000014 0.000008 0.000001 -0.000005 0.000063 -0.000018 3C 1dx2y2 0.000017 0.000010 0.000006 -0.000005 0.000020 -0.000007 3C 1dxy 0.000001 0.000013 0.000003 -0.000006 -0.000001 0.000005 3C 2dz2 0.000050 0.000047 0.000027 0.000009 -0.000109 0.000030 3C 2dxz -0.000053 -0.000008 0.000006 0.000011 -0.000442 0.000109 3C 2dyz 0.000142 0.000173 0.000005 -0.000025 -0.000187 0.000038 3C 2dx2y2 0.000066 0.000032 0.000007 -0.000030 0.000374 -0.000092 3C 2dxy 0.000066 0.000077 0.000001 -0.000021 0.000463 -0.000126 3C 1f0 0.000008 0.000011 -0.000004 -0.000001 -0.000017 0.000000 3C 1f+1 -0.000001 -0.000004 0.000002 0.000007 -0.000026 0.000005 3C 1f-1 0.000007 -0.000001 -0.000008 -0.000006 -0.000009 -0.000003 3C 1f+2 0.000026 0.000012 -0.000002 -0.000004 0.000004 -0.000004 3C 1f-2 0.000009 0.000024 -0.000005 -0.000012 0.000037 -0.000007 3C 1f+3 -0.000009 -0.000023 -0.000006 0.000005 -0.000061 0.000013 3C 1f-3 0.000016 -0.000001 0.000015 0.000003 0.000069 -0.000024 4C 1s -0.000001 -0.000001 -0.000034 -0.000000 -0.000000 0.000001 4C 2s 0.000008 0.000005 0.000191 0.000001 0.000002 -0.000005 4C 3s -0.000291 -0.000156 0.000051 0.000082 0.000089 -0.000187 4C 4s 0.001064 0.000376 -0.003563 -0.000422 -0.000437 0.000989 4C 5s -0.000956 -0.000896 0.000425 -0.000342 -0.001237 0.002641 4C 1pz 0.000003 0.000038 0.000003 -0.000006 -0.000001 -0.000036 4C 1px 0.000037 -0.000035 -0.000274 0.000009 0.000044 0.000016 4C 1py 0.000016 0.000004 -0.000107 -0.000001 0.000019 -0.000014 4C 2pz -0.000093 -0.000632 -0.000906 -0.000118 0.000068 0.000600 4C 2px -0.000575 0.000520 -0.005938 0.000059 -0.000991 -0.000392 4C 2py -0.000272 -0.000157 -0.002754 -0.000048 -0.000289 0.000238 4C 3pz 0.001030 0.001454 0.004636 -0.003181 -0.000550 0.001828 4C 3px -0.000226 0.000255 0.003448 0.000006 -0.000323 0.000290 4C 3py 0.000512 0.001045 0.004181 -0.001922 -0.000926 0.000992 4C 1dz2 0.000001 -0.000032 0.000174 -0.000008 -0.000020 -0.000014 4C 1dxz -0.000044 0.000019 -0.000086 0.000007 -0.000036 -0.000032 4C 1dyz -0.000013 -0.000029 -0.000101 0.000011 0.000022 0.000007 4C 1dx2y2 0.000023 0.000013 -0.000248 0.000012 -0.000031 -0.000007 4C 1dxy -0.000014 0.000025 -0.000303 0.000017 -0.000027 0.000005 4C 2dz2 0.000108 0.000158 0.002214 0.000111 0.000366 0.000042 4C 2dxz 0.000062 0.000113 -0.000973 0.000107 -0.000084 -0.000280 4C 2dyz 0.000274 0.000307 0.000513 -0.000024 -0.000108 -0.000002 4C 2dx2y2 -0.000002 -0.000069 -0.001826 -0.000226 -0.000040 0.000377 4C 2dxy 0.000114 0.000056 -0.002156 -0.000126 -0.000226 0.000001 4C 1f0 -0.000006 -0.000014 0.000039 0.000008 0.000008 -0.000019 4C 1f+1 -0.000043 -0.000011 -0.000000 0.000027 0.000011 -0.000055 4C 1f-1 -0.000025 -0.000025 0.000043 -0.000009 0.000021 0.000005 4C 1f+2 0.000029 0.000018 0.000103 -0.000012 0.000020 0.000054 4C 1f-2 -0.000024 0.000000 -0.000200 -0.000002 -0.000002 0.000000 4C 1f+3 -0.000011 -0.000003 0.000087 -0.000000 0.000002 0.000012 4C 1f-3 -0.000030 -0.000014 0.000225 0.000024 0.000060 -0.000017 5C 1s -0.000001 -0.000001 -0.000001 0.000001 -0.000032 0.000010 5C 2s 0.000005 0.000006 0.000003 -0.000004 0.000181 -0.000055 5C 3s -0.000179 -0.000305 0.000172 -0.000132 0.000090 0.000057 5C 4s 0.000539 0.001150 -0.000938 0.000710 -0.003629 0.000688 5C 5s -0.000576 -0.000828 -0.002045 0.002319 0.000238 -0.000514 5C 1pz 0.000002 0.000018 -0.000002 -0.000029 0.000026 -0.000011 5C 1px 0.000049 -0.000028 0.000046 0.000027 -0.000280 0.000092 5C 1py -0.000013 -0.000022 -0.000014 0.000034 0.000031 -0.000006 5C 2pz -0.000048 -0.000257 0.000037 0.000495 0.000152 -0.000167 5C 2px -0.000721 0.000335 -0.000998 -0.000660 -0.006104 0.002023 5C 2py 0.000271 0.000312 0.000181 -0.000601 0.001597 -0.000358 5C 3pz 0.000818 0.000645 -0.000569 0.001142 0.001871 -0.002571 5C 3px 0.000479 0.000669 -0.000836 0.000255 0.004249 -0.001795 5C 3py -0.001451 -0.001074 0.001592 -0.001190 -0.003814 0.004254 5C 1dz2 0.000009 -0.000019 -0.000020 -0.000021 0.000229 -0.000084 5C 1dxz -0.000025 -0.000004 -0.000012 -0.000037 0.000022 -0.000005 5C 1dyz 0.000005 0.000019 0.000010 0.000003 0.000052 -0.000023 5C 1dx2y2 0.000004 0.000043 -0.000041 -0.000025 -0.000295 0.000109 5C 1dxy 0.000047 -0.000007 0.000023 0.000016 0.000179 -0.000073 5C 2dz2 -0.000064 -0.000096 0.000381 0.000058 0.001461 -0.000330 5C 2dxz 0.000072 -0.000023 0.000082 -0.000181 0.000067 0.000119 5C 2dyz -0.000260 -0.000294 -0.000090 -0.000230 -0.000924 0.000359 5C 2dx2y2 -0.000155 -0.000086 -0.000269 0.000215 -0.002975 0.000699 5C 2dxy -0.000172 -0.000080 0.000141 0.000319 0.001309 -0.000453 5C 1f0 0.000006 -0.000004 -0.000011 -0.000040 -0.000043 0.000030 5C 1f+1 -0.000011 -0.000018 0.000035 -0.000021 0.000182 -0.000037 5C 1f-1 -0.000002 0.000007 -0.000024 -0.000023 -0.000089 0.000030 5C 1f+2 0.000009 0.000031 0.000022 0.000020 0.000046 -0.000004 5C 1f-2 0.000028 0.000035 -0.000003 0.000048 0.000202 -0.000077 5C 1f+3 -0.000026 -0.000026 0.000043 -0.000011 0.000068 -0.000002 5C 1f-3 0.000012 0.000051 -0.000051 0.000020 -0.000122 0.000020 6C 1s -0.000001 -0.000001 -0.000001 0.000001 0.000011 0.000031 6C 2s 0.000006 0.000005 0.000004 -0.000004 -0.000061 -0.000179 6C 3s -0.000294 -0.000190 0.000130 -0.000176 -0.000099 -0.000040 6C 4s 0.001104 0.000582 -0.000698 0.000958 0.001569 0.003346 6C 5s -0.000813 -0.000596 -0.002279 0.002090 0.000270 -0.000500 6C 1pz -0.000018 -0.000002 -0.000029 -0.000001 0.000006 0.000028 6C 1px 0.000030 -0.000048 0.000028 0.000045 -0.000090 -0.000281 6C 1py 0.000021 0.000014 0.000034 -0.000015 0.000013 0.000029 6C 2pz 0.000262 0.000057 0.000498 0.000026 -0.000046 0.000222 6C 2px -0.000372 0.000704 -0.000684 -0.000984 -0.001939 -0.006131 6C 2py -0.000310 -0.000282 -0.000599 0.000194 0.000645 0.001505 6C 3pz -0.000595 -0.000842 0.001131 -0.000597 -0.000986 0.003016 6C 3px -0.000648 -0.000506 0.000236 -0.000841 0.001036 0.004495 6C 3py 0.000992 0.001493 -0.001156 0.001620 0.001208 -0.005580 6C 1dz2 -0.000019 0.000009 0.000021 0.000020 -0.000066 -0.000235 6C 1dxz -0.000002 -0.000025 0.000037 0.000011 -0.000009 -0.000021 6C 1dyz 0.000019 0.000006 -0.000004 -0.000010 -0.000012 -0.000056 6C 1dx2y2 0.000043 0.000005 0.000026 0.000041 0.000085 0.000303 6C 1dxy -0.000009 0.000046 -0.000016 -0.000022 -0.000046 -0.000188 6C 2dz2 -0.000092 -0.000068 -0.000066 -0.000380 -0.000588 -0.001377 6C 2dxz -0.000022 0.000072 0.000181 -0.000086 -0.000136 0.000012 6C 2dyz -0.000281 -0.000270 0.000234 0.000085 0.000251 0.000958 6C 2dx2y2 -0.000083 -0.000157 -0.000210 0.000275 0.001177 0.002819 6C 2dxy -0.000079 -0.000176 -0.000324 -0.000134 -0.000400 -0.001325 6C 1f0 0.000004 -0.000006 -0.000040 -0.000010 -0.000001 -0.000053 6C 1f+1 0.000017 0.000012 -0.000020 0.000036 0.000076 0.000169 6C 1f-1 -0.000007 0.000002 -0.000023 -0.000024 -0.000028 -0.000089 6C 1f+2 -0.000030 -0.000010 0.000020 0.000021 0.000024 0.000040 6C 1f-2 -0.000033 -0.000029 0.000048 -0.000004 0.000056 0.000209 6C 1f+3 0.000024 0.000027 -0.000010 0.000043 0.000038 0.000056 6C 1f-3 -0.000050 -0.000014 0.000019 -0.000052 -0.000055 -0.000111 7C 1s -0.000001 -0.000001 0.000001 0.000034 -0.000001 0.000001 7C 2s 0.000005 0.000008 -0.000005 -0.000191 0.000003 -0.000004 7C 3s -0.000145 -0.000291 -0.000082 -0.000051 0.000099 -0.000182 7C 4s 0.000334 0.001048 0.000498 0.003559 -0.000541 0.000936 7C 5s -0.000858 -0.000998 0.000325 -0.000446 -0.001432 0.002546 7C 1pz -0.000038 -0.000004 -0.000006 0.000004 -0.000030 0.000021 7C 1px 0.000037 -0.000037 0.000003 -0.000274 0.000039 0.000027 7C 1py -0.000004 -0.000017 -0.000003 -0.000106 -0.000000 0.000023 7C 2pz 0.000627 0.000119 -0.000137 -0.000902 0.000528 -0.000297 7C 2px -0.000542 0.000573 -0.000075 -0.005935 -0.000899 -0.000573 7C 2py 0.000149 0.000288 -0.000110 -0.002759 0.000026 -0.000374 7C 3pz -0.001428 -0.001066 -0.003072 0.004693 0.001147 -0.001524 7C 3px -0.000258 0.000227 0.000084 0.003441 0.000042 -0.000430 7C 3py -0.001038 -0.000540 -0.001834 0.004220 0.000254 -0.001336 7C 1dz2 -0.000032 0.000000 0.000004 -0.000174 0.000023 0.000008 7C 1dxz 0.000020 -0.000044 -0.000005 0.000086 0.000047 0.000010 7C 1dyz -0.000029 -0.000014 -0.000009 0.000102 -0.000019 -0.000014 7C 1dx2y2 0.000012 0.000023 -0.000006 0.000247 0.000024 0.000021 7C 1dxy 0.000025 -0.000013 -0.000011 0.000304 0.000012 0.000025 7C 2dz2 0.000153 0.000118 -0.000160 -0.002206 -0.000249 -0.000272 7C 2dxz 0.000110 0.000066 -0.000084 0.000972 0.000274 -0.000096 7C 2dyz 0.000297 0.000286 0.000012 -0.000517 0.000064 0.000086 7C 2dx2y2 -0.000070 -0.000011 0.000267 0.001821 -0.000281 0.000254 7C 2dxy 0.000053 0.000110 0.000175 0.002157 0.000132 0.000185 7C 1f0 0.000014 0.000006 0.000008 0.000039 -0.000011 0.000018 7C 1f+1 0.000009 0.000042 0.000027 0.000001 -0.000038 0.000041 7C 1f-1 0.000024 0.000025 -0.000008 0.000043 0.000016 0.000014 7C 1f+2 -0.000016 -0.000030 -0.000010 0.000104 0.000055 -0.000015 7C 1f-2 -0.000001 0.000024 -0.000007 -0.000200 -0.000001 -0.000002 7C 1f+3 0.000002 0.000011 0.000002 0.000087 0.000011 -0.000005 7C 1f-3 0.000013 0.000030 0.000029 0.000224 0.000022 0.000059 8C 1s 0.000000 -0.000000 0.000001 -0.000000 0.000003 0.000012 8C 2s -0.000001 0.000002 -0.000005 0.000002 -0.000016 -0.000061 8C 3s 0.000154 0.000123 0.000095 -0.000033 0.000038 0.000305 8C 4s -0.000807 -0.000773 -0.000546 0.000259 0.000540 0.000789 8C 5s 0.001785 0.001969 0.000144 0.000621 0.001021 -0.006575 8C 1pz -0.000005 0.000002 -0.000009 -0.000006 -0.000001 -0.000039 8C 1px 0.000001 -0.000013 -0.000001 0.000004 -0.000020 -0.000070 8C 1py 0.000015 0.000008 -0.000002 -0.000007 0.000026 0.000130 8C 2pz 0.000154 0.000212 0.000216 0.000056 -0.000308 -0.000599 8C 2px 0.000211 0.000132 0.000071 -0.000065 -0.000113 -0.000198 8C 2py -0.000401 -0.000445 -0.000079 0.000152 0.000296 0.000489 8C 3pz -0.000191 -0.000267 -0.000199 -0.000217 -0.000114 0.000885 8C 3px -0.000110 -0.000160 -0.000004 0.000034 -0.000359 -0.000097 8C 3py 0.000437 0.000490 -0.000112 -0.000006 0.000163 -0.001613 8C 1dz2 0.000003 -0.000004 -0.000014 -0.000007 -0.000010 -0.000029 8C 1dxz -0.000011 -0.000005 -0.000002 -0.000000 0.000002 -0.000001 8C 1dyz 0.000008 0.000015 0.000005 -0.000001 -0.000022 -0.000061 8C 1dx2y2 0.000009 0.000017 0.000005 -0.000006 -0.000006 -0.000020 8C 1dxy 0.000013 0.000001 0.000006 -0.000003 -0.000003 0.000004 8C 2dz2 0.000046 0.000052 -0.000010 -0.000027 0.000040 0.000106 8C 2dxz -0.000006 -0.000053 -0.000011 -0.000005 0.000172 0.000425 8C 2dyz 0.000167 0.000148 0.000025 -0.000005 0.000080 0.000175 8C 2dx2y2 0.000030 0.000068 0.000029 -0.000008 -0.000144 -0.000356 8C 2dxy 0.000074 0.000069 0.000021 -0.000001 -0.000170 -0.000450 8C 1f0 -0.000010 -0.000009 -0.000001 -0.000004 -0.000009 -0.000013 8C 1f+1 0.000004 0.000001 0.000007 0.000002 -0.000012 -0.000024 8C 1f-1 0.000001 -0.000007 -0.000006 -0.000008 -0.000008 -0.000005 8C 1f+2 -0.000011 -0.000027 -0.000004 -0.000002 -0.000001 0.000005 8C 1f-2 -0.000024 -0.000010 -0.000012 -0.000004 0.000016 0.000034 8C 1f+3 0.000023 0.000010 0.000005 -0.000006 -0.000025 -0.000057 8C 1f-3 0.000001 -0.000016 0.000004 0.000015 0.000020 0.000069 9C 1s -0.000000 0.000000 -0.000001 0.000013 0.000001 -0.000001 9C 2s 0.000000 -0.000003 0.000003 -0.000064 -0.000004 0.000003 9C 3s 0.000116 0.000185 -0.000055 0.000304 0.000065 -0.000051 9C 4s -0.000719 -0.000975 0.000281 0.000918 -0.000349 0.000371 9C 5s 0.002114 0.001919 0.003201 -0.005820 0.000022 0.000421 9C 1pz -0.000010 -0.000010 0.000016 -0.000116 -0.000007 0.000003 9C 1px 0.000004 -0.000017 -0.000001 -0.000072 0.000000 -0.000001 9C 1py -0.000001 -0.000007 0.000010 -0.000074 0.000008 0.000003 9C 2pz 0.000376 0.000434 -0.000147 -0.000705 0.000153 -0.000113 9C 2px 0.000178 0.000135 -0.000010 0.000126 0.000021 -0.000001 9C 2py 0.000257 0.000251 -0.000111 -0.000583 -0.000099 -0.000138 9C 3pz -0.000507 -0.000343 -0.000686 0.001505 -0.000114 -0.000084 9C 3px -0.000200 -0.000243 -0.000188 -0.000308 -0.000035 -0.000015 9C 3py -0.000310 -0.000256 -0.000490 0.000646 0.000224 0.000051 9C 1dz2 -0.000006 -0.000012 0.000000 0.000040 -0.000012 -0.000001 9C 1dxz -0.000015 -0.000000 0.000002 -0.000018 0.000000 0.000003 9C 1dyz -0.000013 -0.000016 0.000004 0.000054 0.000004 0.000006 9C 1dx2y2 0.000007 0.000006 -0.000000 0.000005 -0.000001 -0.000011 9C 1dxy -0.000007 0.000002 0.000003 0.000017 -0.000007 -0.000001 9C 2dz2 -0.000086 -0.000110 0.000009 0.000126 -0.000023 0.000009 9C 2dxz 0.000023 0.000016 0.000048 0.000647 0.000007 0.000014 9C 2dyz -0.000180 -0.000160 -0.000011 0.000058 0.000010 0.000025 9C 2dx2y2 -0.000016 0.000023 -0.000038 -0.000489 -0.000006 -0.000006 9C 2dxy -0.000027 -0.000030 -0.000002 0.000028 -0.000006 -0.000007 9C 1f0 0.000000 0.000017 -0.000000 -0.000031 0.000012 0.000001 9C 1f+1 0.000017 0.000002 -0.000008 -0.000074 0.000014 -0.000000 9C 1f-1 0.000016 0.000030 0.000005 -0.000020 0.000001 0.000000 9C 1f+2 -0.000013 -0.000024 0.000002 0.000040 0.000003 0.000008 9C 1f-2 0.000015 -0.000000 -0.000007 -0.000005 0.000006 0.000002 9C 1f+3 0.000006 -0.000009 0.000002 -0.000002 -0.000003 -0.000003 9C 1f-3 0.000007 0.000006 -0.000003 -0.000045 -0.000004 -0.000009 10H 1s 0.000026 0.000007 -0.000067 -0.000005 0.000012 -0.000012 10H 2s 0.000010 0.000113 -0.000653 -0.000009 -0.000072 0.000038 10H 3s -0.000194 -0.000239 -0.000085 0.000152 0.000095 0.000050 10H 1pz 0.000012 0.000021 -0.000070 -0.000008 -0.000006 -0.000001 10H 1px -0.000020 -0.000020 0.000090 -0.000003 0.000008 0.000006 10H 1py 0.000008 0.000012 -0.000057 -0.000005 -0.000003 0.000002 11H 1s -0.000002 0.000003 0.000035 -0.000001 0.000003 -0.000008 11H 2s -0.000049 -0.000111 0.000397 0.000082 0.000021 0.000052 11H 3s -0.000082 0.000011 -0.000380 0.000193 -0.000060 -0.000062 11H 1pz 0.000008 0.000005 0.000053 0.000009 0.000014 0.000001 11H 1px -0.000003 -0.000016 0.000081 0.000008 0.000007 0.000005 11H 1py 0.000008 0.000013 0.000023 -0.000004 0.000001 0.000000 12H 1s 0.000001 0.000014 -0.000005 -0.000002 -0.000005 -0.000009 12H 2s 0.000018 -0.000111 0.000171 0.000060 -0.000072 -0.000017 12H 3s -0.000152 -0.000025 -0.000465 0.000186 0.000088 0.000104 12H 1pz 0.000007 0.000011 0.000027 -0.000000 -0.000004 -0.000005 12H 1px -0.000000 -0.000012 0.000099 0.000007 -0.000009 -0.000005 12H 1py 0.000017 -0.000001 0.000014 0.000006 -0.000019 -0.000020 13H 1s 0.000022 0.000005 0.000014 -0.000006 -0.000059 0.000013 13H 2s -0.000067 0.000105 -0.000009 0.000035 -0.000540 0.000151 13H 3s -0.000008 -0.000197 -0.000006 0.000077 -0.000078 0.000172 13H 1pz 0.000006 0.000023 0.000009 -0.000001 -0.000098 0.000025 13H 1px 0.000002 -0.000010 -0.000003 0.000004 0.000034 -0.000014 13H 1py -0.000003 -0.000014 -0.000005 -0.000003 0.000031 -0.000000 14H 1s -0.000002 0.000015 0.000006 -0.000016 -0.000019 0.000005 14H 2s 0.000056 -0.000048 -0.000015 0.000092 0.000051 0.000033 14H 3s -0.000147 -0.000093 0.000004 -0.000043 -0.000436 0.000302 14H 1pz 0.000018 0.000013 0.000006 0.000006 -0.000051 0.000016 14H 1px 0.000012 0.000000 0.000005 0.000009 0.000069 -0.000014 14H 1py -0.000007 -0.000003 -0.000002 -0.000002 -0.000038 0.000011 15H 1s -0.000005 0.000001 -0.000005 -0.000008 0.000043 -0.000014 15H 2s -0.000040 -0.000102 -0.000063 -0.000052 0.000424 -0.000052 15H 3s -0.000044 -0.000012 0.000135 0.000194 -0.000310 0.000276 15H 1pz 0.000012 0.000017 0.000007 0.000007 -0.000017 -0.000001 15H 1px 0.000003 -0.000005 -0.000002 -0.000007 0.000050 -0.000013 15H 1py -0.000009 -0.000003 0.000016 0.000026 -0.000073 0.000012 16H 1s -0.000651 -0.000019 -0.000018 -0.000005 0.000010 0.000002 16H 2s -0.000185 -0.000026 0.000418 0.000061 -0.000096 0.000008 16H 3s 0.001127 0.000122 -0.000259 0.000026 -0.000028 0.000024 16H 1pz -0.000571 -0.000005 0.000108 0.000008 -0.000041 0.000009 16H 1px -0.000046 -0.000006 0.000008 -0.000005 0.000007 -0.000001 16H 1py -0.000301 -0.000003 0.000038 0.000001 -0.000015 0.000006 17H 1s -0.000654 -0.000018 0.000005 0.000003 -0.000000 0.000001 17H 2s -0.000228 -0.000038 0.000120 -0.000013 -0.000146 0.000020 17H 3s 0.001090 0.000121 0.000020 0.000008 0.000070 0.000078 17H 1pz 0.000409 0.000008 -0.000020 -0.000003 0.000035 -0.000007 17H 1px 0.000322 -0.000000 -0.000024 0.000002 0.000007 -0.000005 17H 1py -0.000400 -0.000006 -0.000006 -0.000006 -0.000010 0.000002 18H 1s 0.000005 -0.000654 -0.000003 -0.000004 -0.000001 0.000001 18H 2s -0.000028 -0.000233 0.000011 -0.000130 0.000068 0.000120 18H 3s 0.000082 0.001091 -0.000009 -0.000023 -0.000103 -0.000012 18H 1pz 0.000007 -0.000419 -0.000003 -0.000022 0.000015 0.000032 18H 1px 0.000013 -0.000324 0.000002 -0.000027 -0.000000 0.000007 18H 1py -0.000009 0.000389 -0.000007 -0.000006 -0.000004 -0.000007 19H 1s 0.000005 -0.000651 0.000005 0.000018 -0.000008 -0.000006 19H 2s -0.000020 -0.000181 -0.000071 -0.000424 0.000048 0.000069 19H 3s 0.000081 0.001133 -0.000020 0.000259 -0.000004 0.000033 19H 1pz -0.000016 0.000563 0.000010 0.000109 -0.000016 -0.000034 19H 1px 0.000004 0.000042 -0.000005 0.000007 0.000002 0.000005 19H 1py -0.000008 0.000313 0.000002 0.000042 -0.000004 -0.000015 20H 1s 0.000001 -0.000005 0.000008 0.000005 -0.000014 -0.000042 20H 2s -0.000100 -0.000042 0.000054 0.000062 -0.000207 -0.000374 20H 3s -0.000007 -0.000045 -0.000198 -0.000131 -0.000042 0.000413 20H 1pz -0.000016 -0.000012 0.000007 0.000006 -0.000011 -0.000013 20H 1px 0.000005 -0.000003 -0.000008 -0.000002 0.000019 0.000050 20H 1py 0.000003 0.000009 0.000027 0.000015 -0.000033 -0.000066 21H 1s 0.000015 -0.000002 0.000016 -0.000006 0.000007 0.000017 21H 2s -0.000051 0.000053 -0.000091 0.000017 -0.000061 -0.000031 21H 3s -0.000084 -0.000149 0.000043 -0.000005 0.000009 0.000527 21H 1pz -0.000012 -0.000018 0.000006 0.000006 -0.000017 -0.000049 21H 1px 0.000000 -0.000011 0.000009 0.000005 0.000029 0.000065 21H 1py 0.000003 0.000008 -0.000002 -0.000002 -0.000013 -0.000037 22H 1s 0.000005 0.000022 0.000006 -0.000014 0.000024 0.000056 22H 2s 0.000108 -0.000063 -0.000035 0.000012 0.000196 0.000534 22H 3s -0.000195 -0.000014 -0.000078 0.000005 -0.000095 0.000160 22H 1pz -0.000023 -0.000007 -0.000001 0.000009 -0.000037 -0.000094 22H 1px 0.000010 -0.000002 0.000004 -0.000003 0.000009 0.000037 22H 1py 0.000014 0.000003 -0.000004 -0.000005 0.000018 0.000027 23H 1s 0.000013 0.000001 0.000002 0.000003 0.000010 -0.000000 23H 2s -0.000111 0.000011 -0.000066 -0.000184 0.000057 0.000048 23H 3s -0.000018 -0.000150 -0.000177 0.000463 -0.000142 -0.000013 23H 1pz -0.000011 -0.000008 0.000000 0.000027 -0.000006 -0.000001 23H 1px 0.000012 0.000001 0.000009 0.000099 -0.000010 -0.000004 23H 1py 0.000002 -0.000016 0.000007 0.000018 -0.000028 -0.000004 24H 1s 0.000004 -0.000002 0.000001 -0.000034 0.000005 -0.000008 24H 2s -0.000110 -0.000051 -0.000091 -0.000392 -0.000056 0.000015 24H 3s 0.000015 -0.000083 -0.000186 0.000386 0.000082 0.000009 24H 1pz -0.000005 -0.000009 0.000010 0.000051 0.000009 0.000010 24H 1px 0.000016 0.000003 0.000010 0.000082 0.000009 0.000002 24H 1py -0.000012 -0.000008 -0.000003 0.000025 0.000001 0.000001 25H 1s 0.000006 0.000027 0.000007 0.000068 0.000003 -0.000017 25H 2s 0.000113 0.000014 0.000023 0.000662 0.000011 0.000080 25H 3s -0.000234 -0.000203 -0.000151 0.000082 -0.000098 -0.000046 25H 1pz -0.000021 -0.000013 -0.000009 -0.000073 -0.000004 -0.000004 25H 1px 0.000019 0.000020 -0.000001 0.000091 0.000009 0.000003 25H 1py -0.000011 -0.000007 -0.000007 -0.000055 -0.000000 -0.000003 26O 1s 0.000002 0.000006 -0.435617 0.004864 -0.000437 0.000228 26O 2s 0.000004 0.000006 -0.639964 0.007152 -0.000654 0.000342 26O 3s -0.000005 0.000021 -0.032479 0.000312 0.000012 -0.000021 26O 4s 0.000079 0.000039 0.025051 -0.000207 -0.000011 0.000147 26O 5s -0.000343 -0.000897 -0.011788 0.001578 0.001855 -0.001553 26O 1pz 0.000004 0.000005 -0.000306 -0.000008 0.000020 0.000005 26O 1px -0.000003 -0.000010 0.001605 -0.000010 0.000038 -0.000015 26O 1py -0.000000 -0.000003 0.000411 -0.000008 0.000017 -0.000006 26O 2pz 0.000004 -0.000010 0.000136 0.000003 -0.000133 -0.000009 26O 2px 0.000128 0.000086 -0.004341 -0.000086 -0.000357 0.000118 26O 2py 0.000047 0.000043 -0.001544 -0.000034 -0.000152 0.000070 26O 3pz -0.000505 -0.000217 -0.001942 0.000573 0.000227 -0.000155 26O 3px -0.001150 0.000478 -0.000205 -0.000278 -0.000715 0.000344 26O 3py -0.000661 0.000009 -0.001273 0.000252 -0.000456 0.000146 26O 1dz2 0.000002 0.000001 0.000133 -0.000013 0.000001 -0.000003 26O 1dxz 0.000022 -0.000006 -0.000056 0.000001 -0.000001 -0.000003 26O 1dyz 0.000003 0.000006 0.000010 -0.000016 0.000004 0.000004 26O 1dx2y2 -0.000005 0.000002 -0.000132 0.000006 -0.000017 -0.000003 26O 1dxy 0.000009 -0.000000 -0.000155 0.000002 0.000003 -0.000002 26O 2dz2 0.000001 0.000015 -0.000741 0.000040 -0.000049 0.000016 26O 2dxz -0.000072 0.000025 0.000274 0.000007 0.000026 0.000009 26O 2dyz -0.000019 -0.000020 -0.000007 0.000072 -0.000016 -0.000018 26O 2dx2y2 0.000001 -0.000036 0.000771 -0.000010 0.000138 -0.000005 26O 2dxy -0.000045 -0.000024 0.000873 0.000015 0.000042 -0.000026 26O 1f0 0.000007 -0.000002 0.000018 0.000002 0.000008 0.000005 26O 1f+1 -0.000004 -0.000007 0.000096 -0.000000 0.000010 -0.000002 26O 1f-1 0.000003 -0.000002 0.000043 0.000009 -0.000001 -0.000005 26O 1f+2 -0.000006 0.000001 -0.000020 -0.000005 -0.000002 -0.000001 26O 1f-2 -0.000008 0.000003 -0.000021 0.000002 -0.000005 -0.000001 26O 1f+3 -0.000005 -0.000002 0.000048 -0.000000 0.000005 0.000001 26O 1f-3 0.000003 -0.000009 0.000132 -0.000001 0.000009 -0.000004 27O 1s -0.000008 0.000003 0.000488 -0.000091 -0.414480 0.134137 27O 2s -0.000006 0.000003 0.000704 -0.000131 -0.608909 0.197066 27O 3s -0.000053 0.000021 0.000081 -0.000034 -0.030912 0.009953 27O 4s 0.000219 0.000053 -0.000082 0.000153 0.023846 -0.007647 27O 5s -0.000150 -0.001230 0.002624 -0.000842 -0.010668 0.004827 27O 1pz 0.000003 0.000004 0.000011 0.000010 -0.000381 0.000115 27O 1px 0.000002 -0.000013 0.000043 -0.000001 0.001568 -0.000502 27O 1py 0.000003 -0.000005 -0.000015 -0.000003 0.000087 -0.000017 27O 2pz -0.000018 -0.000012 -0.000058 -0.000051 0.000598 -0.000178 27O 2px 0.000043 0.000139 -0.000446 -0.000005 -0.004405 0.001295 27O 2py -0.000028 -0.000008 0.000127 -0.000000 0.000413 -0.000124 27O 3pz -0.000023 -0.000185 0.000478 -0.000085 -0.001011 0.000708 27O 3px -0.001089 0.000577 -0.001023 0.000019 -0.000520 0.000033 27O 3py 0.000591 0.000068 0.000176 0.000107 0.001594 -0.001022 27O 1dz2 -0.000006 -0.000003 0.000001 -0.000003 0.000102 -0.000032 27O 1dxz 0.000008 -0.000003 -0.000002 -0.000002 0.000007 -0.000005 27O 1dyz 0.000001 -0.000009 0.000003 0.000001 -0.000025 0.000025 27O 1dx2y2 -0.000004 0.000001 -0.000014 -0.000009 -0.000187 0.000072 27O 1dxy -0.000014 0.000000 -0.000008 0.000000 0.000091 -0.000024 27O 2dz2 0.000015 0.000040 -0.000059 0.000005 -0.000629 0.000183 27O 2dxz -0.000022 0.000020 0.000007 0.000021 -0.000076 0.000040 27O 2dyz 0.000003 0.000033 -0.000014 0.000003 0.000124 -0.000108 27O 2dx2y2 0.000020 -0.000053 0.000159 0.000042 0.001072 -0.000373 27O 2dxy 0.000033 0.000012 -0.000004 0.000013 -0.000493 0.000120 27O 1f0 0.000004 0.000001 0.000004 0.000009 -0.000019 0.000001 27O 1f+1 0.000006 -0.000009 0.000014 0.000004 0.000097 -0.000032 27O 1f-1 -0.000004 0.000002 -0.000003 -0.000003 -0.000015 0.000003 27O 1f+2 -0.000003 -0.000002 0.000000 -0.000002 0.000021 -0.000014 27O 1f-2 0.000001 -0.000001 -0.000001 0.000002 -0.000010 -0.000002 27O 1f+3 -0.000003 -0.000011 0.000009 0.000001 0.000112 -0.000033 27O 1f-3 -0.000013 0.000006 -0.000007 -0.000000 -0.000072 0.000021 28O 1s 0.000002 -0.000006 -0.000144 -0.000125 -0.000066 -0.000375 28O 2s 0.000003 -0.000004 -0.000182 -0.000177 -0.000095 -0.000537 28O 3s 0.000019 -0.000053 -0.000109 -0.000070 0.000000 -0.000079 28O 4s 0.000062 0.000220 -0.000205 0.000235 -0.000108 0.000109 28O 5s -0.001210 0.000072 -0.002800 0.000605 0.000046 -0.002526 28O 1pz -0.000001 0.000003 0.000018 -0.000006 -0.000013 -0.000030 28O 1px 0.000015 -0.000001 0.000002 0.000004 0.000005 0.000030 28O 1py 0.000005 -0.000004 0.000009 -0.000001 -0.000014 -0.000013 28O 2pz 0.000058 0.000006 0.000203 -0.000019 0.000100 0.000286 28O 2px -0.000116 -0.000016 -0.000549 0.000039 -0.000090 -0.000300 28O 2py -0.000012 0.000021 -0.000071 -0.000002 0.000084 0.000096 28O 3pz 0.000296 -0.000902 -0.001086 -0.000789 0.000220 0.000493 28O 3px -0.000569 0.000832 -0.001279 0.000459 -0.000146 -0.000739 28O 3py -0.000021 -0.000395 -0.001184 -0.000287 -0.000016 -0.000319 28O 1dz2 0.000001 0.000009 -0.000022 0.000001 -0.000010 -0.000010 28O 1dxz -0.000000 -0.000004 0.000022 0.000009 -0.000008 -0.000002 28O 1dyz 0.000006 0.000008 -0.000044 0.000003 0.000002 0.000002 28O 1dx2y2 0.000005 -0.000009 -0.000017 -0.000005 0.000001 0.000008 28O 1dxy 0.000005 -0.000007 -0.000011 0.000002 -0.000003 -0.000002 28O 2dz2 -0.000004 -0.000024 0.000147 -0.000001 0.000048 0.000039 28O 2dxz 0.000050 -0.000006 0.000024 -0.000060 0.000059 0.000102 28O 2dyz -0.000025 -0.000023 0.000196 -0.000010 -0.000012 -0.000022 28O 2dx2y2 -0.000053 0.000036 -0.000068 0.000033 -0.000030 -0.000079 28O 2dxy -0.000018 0.000010 0.000010 -0.000014 0.000034 0.000022 28O 1f0 -0.000005 -0.000000 -0.000012 -0.000001 -0.000001 -0.000003 28O 1f+1 -0.000007 0.000011 -0.000007 0.000003 -0.000001 -0.000006 28O 1f-1 0.000002 -0.000005 -0.000057 0.000001 0.000007 0.000001 28O 1f+2 0.000011 -0.000003 0.000003 -0.000002 0.000004 0.000010 28O 1f-2 -0.000002 0.000009 0.000019 0.000003 -0.000004 -0.000003 28O 1f+3 0.000007 0.000003 -0.000024 0.000001 0.000001 0.000006 28O 1f-3 -0.000001 0.000006 -0.000041 0.000000 -0.000009 -0.000004 29O 1s -0.435556 -0.007868 -0.000002 0.000005 0.000007 0.000001 29O 2s -0.640030 -0.011585 -0.000002 0.000010 0.000015 0.000001 29O 3s -0.031149 -0.000390 -0.000001 -0.000014 -0.000067 0.000015 29O 4s 0.020147 -0.000193 0.000174 0.000066 0.000311 -0.000070 29O 5s -0.012433 0.000894 -0.001147 -0.000199 -0.000602 0.000121 29O 1pz 0.000323 0.000016 -0.000013 0.000002 0.000003 -0.000002 29O 1px -0.000559 -0.000034 -0.000013 -0.000002 -0.000025 0.000002 29O 1py 0.001271 0.000027 -0.000015 0.000000 0.000000 0.000001 29O 2pz -0.000351 -0.000046 0.000115 -0.000001 -0.000034 0.000011 29O 2px 0.000530 0.000112 0.000001 0.000005 0.000081 -0.000001 29O 2py -0.001717 -0.000040 0.000088 -0.000002 -0.000012 -0.000001 29O 3pz -0.000390 0.000168 0.000091 0.000053 0.000039 -0.000023 29O 3px 0.001642 -0.000436 0.000383 0.000059 0.000322 -0.000121 29O 3py 0.001496 -0.000009 0.000287 0.000043 -0.000238 0.000060 29O 1dz2 -0.000072 -0.000004 -0.000008 -0.000002 -0.000008 0.000002 29O 1dxz -0.000066 -0.000003 0.000006 0.000002 -0.000001 0.000001 29O 1dyz -0.000016 -0.000001 -0.000002 0.000000 0.000011 -0.000001 29O 1dx2y2 0.000056 0.000003 0.000009 0.000001 0.000017 -0.000003 29O 1dxy 0.000082 0.000004 0.000008 0.000002 -0.000008 0.000000 29O 2dz2 0.000373 0.000012 -0.000011 0.000004 0.000042 -0.000011 29O 2dxz 0.000308 0.000010 -0.000020 -0.000002 0.000011 -0.000005 29O 2dyz 0.000079 0.000002 -0.000027 -0.000006 -0.000028 0.000001 29O 2dx2y2 -0.000186 -0.000008 -0.000023 -0.000005 -0.000062 0.000011 29O 2dxy -0.000391 -0.000016 -0.000021 -0.000008 0.000017 0.000001 29O 1f0 -0.000124 -0.000001 0.000011 0.000001 -0.000004 0.000001 29O 1f+1 0.000055 -0.000000 -0.000007 -0.000001 -0.000003 -0.000000 29O 1f-1 -0.000125 -0.000004 0.000012 0.000001 -0.000002 0.000001 29O 1f+2 0.000053 -0.000002 -0.000002 0.000000 0.000004 -0.000001 29O 1f-2 -0.000079 -0.000004 -0.000003 -0.000001 -0.000001 0.000002 29O 1f+3 0.000037 -0.000003 -0.000007 -0.000001 -0.000001 -0.000001 29O 1f-3 0.000047 -0.000000 -0.000000 -0.000001 0.000004 -0.000001 30O 1s 0.000003 0.000002 0.000052 -0.000262 -0.000477 -0.000206 30O 2s 0.000004 0.000003 0.000073 -0.000373 -0.000670 -0.000305 30O 3s 0.000015 -0.000001 0.000033 -0.000060 -0.000144 -0.000045 30O 4s 0.000070 0.000073 -0.000166 0.000052 -0.000143 0.000299 30O 5s -0.001024 -0.000632 0.000857 -0.002428 -0.002402 0.001482 30O 1pz -0.000002 0.000001 0.000001 -0.000021 0.000006 -0.000004 30O 1px 0.000012 0.000007 -0.000005 0.000023 0.000004 0.000001 30O 1py 0.000000 0.000001 0.000009 0.000034 -0.000015 0.000010 30O 2pz 0.000030 0.000085 -0.000016 0.000206 0.000199 -0.000091 30O 2px -0.000081 -0.000131 0.000008 -0.000262 -0.000505 0.000205 30O 2py -0.000035 -0.000088 -0.000048 -0.000294 -0.000122 0.000060 30O 3pz 0.000201 -0.000799 0.000017 0.000673 -0.000740 -0.000344 30O 3px -0.000544 0.000577 0.000110 -0.000864 -0.001357 0.000862 30O 3py -0.000087 0.000824 -0.000069 -0.000194 0.001396 0.000314 30O 1dz2 -0.000006 0.000011 -0.000007 -0.000014 0.000018 -0.000004 30O 1dxz -0.000001 -0.000001 -0.000005 -0.000003 0.000014 0.000002 30O 1dyz -0.000003 -0.000014 0.000004 0.000004 0.000051 -0.000015 30O 1dx2y2 0.000003 -0.000015 -0.000002 0.000007 0.000005 -0.000006 30O 1dxy -0.000004 0.000011 0.000005 0.000007 -0.000003 -0.000008 30O 2dz2 0.000033 -0.000029 0.000032 0.000082 -0.000019 -0.000003 30O 2dxz 0.000030 0.000025 0.000010 0.000079 0.000036 -0.000058 30O 2dyz 0.000027 0.000068 -0.000021 0.000026 -0.000189 0.000041 30O 2dx2y2 -0.000027 0.000042 0.000003 -0.000043 -0.000139 0.000066 30O 2dxy -0.000010 -0.000055 -0.000035 -0.000104 -0.000054 0.000074 30O 1f0 -0.000007 -0.000002 -0.000005 -0.000008 0.000039 -0.000013 30O 1f+1 -0.000001 0.000002 0.000003 -0.000000 -0.000029 0.000009 30O 1f-1 -0.000001 0.000005 -0.000001 -0.000003 0.000023 -0.000007 30O 1f+2 0.000001 0.000007 -0.000006 -0.000001 0.000024 -0.000007 30O 1f-2 0.000009 -0.000005 -0.000001 0.000010 -0.000016 0.000000 30O 1f+3 -0.000002 0.000008 -0.000006 -0.000005 -0.000033 0.000014 30O 1f-3 0.000006 0.000004 0.000004 0.000011 0.000028 -0.000009 31O 1s 0.000001 0.000003 0.000250 -0.000060 0.000435 0.000259 31O 2s 0.000003 0.000004 0.000355 -0.000084 0.000623 0.000354 31O 3s -0.000004 0.000014 0.000058 -0.000035 0.000121 0.000089 31O 4s 0.000076 0.000075 -0.000046 0.000170 -0.000159 0.000291 31O 5s -0.000561 -0.001048 0.002417 -0.000916 0.000212 0.002809 31O 1pz -0.000001 0.000002 -0.000021 0.000002 -0.000000 0.000008 31O 1px -0.000006 -0.000013 0.000023 -0.000006 0.000003 0.000003 31O 1py -0.000001 -0.000000 0.000034 0.000008 -0.000001 -0.000018 31O 2pz -0.000081 -0.000033 0.000206 -0.000021 0.000043 0.000215 31O 2px 0.000125 0.000085 -0.000262 0.000013 -0.000130 -0.000529 31O 2py 0.000084 0.000038 -0.000296 -0.000041 -0.000024 -0.000133 31O 3pz 0.000817 -0.000171 0.000676 0.000002 -0.000713 -0.000396 31O 3px -0.000610 0.000523 -0.000865 0.000130 -0.000098 -0.001603 31O 3py -0.000836 0.000056 -0.000198 -0.000066 0.001074 0.000949 31O 1dz2 0.000012 -0.000006 0.000014 0.000007 -0.000007 -0.000017 31O 1dxz -0.000001 -0.000001 0.000003 0.000005 -0.000010 -0.000010 31O 1dyz -0.000014 -0.000004 -0.000004 -0.000004 -0.000018 -0.000050 31O 1dx2y2 -0.000015 0.000002 -0.000007 0.000002 0.000002 -0.000007 31O 1dxy 0.000011 -0.000004 -0.000007 -0.000005 0.000008 -0.000002 31O 2dz2 -0.000030 0.000032 -0.000082 -0.000030 0.000013 0.000013 31O 2dxz 0.000021 0.000031 -0.000079 -0.000008 0.000025 -0.000063 31O 2dyz 0.000065 0.000030 -0.000026 0.000022 0.000077 0.000177 31O 2dx2y2 0.000043 -0.000026 0.000043 -0.000004 0.000028 0.000151 31O 2dxy -0.000052 -0.000012 0.000106 0.000033 -0.000028 0.000087 31O 1f0 0.000002 0.000007 -0.000008 -0.000004 0.000013 0.000039 31O 1f+1 -0.000002 0.000000 -0.000000 0.000003 -0.000010 -0.000029 31O 1f-1 -0.000005 0.000001 -0.000003 -0.000001 0.000008 0.000022 31O 1f+2 -0.000007 -0.000002 -0.000001 -0.000006 0.000008 0.000024 31O 1f-2 0.000006 -0.000009 0.000010 -0.000001 -0.000009 -0.000013 31O 1f+3 -0.000008 0.000002 -0.000005 -0.000006 -0.000008 -0.000035 31O 1f-3 -0.000004 -0.000006 0.000011 0.000004 0.000009 0.000028 32O 1s 0.007873 -0.435556 -0.000005 0.000002 -0.000005 -0.000005 32O 2s 0.011545 -0.640031 -0.000010 0.000002 -0.000009 -0.000013 32O 3s 0.000736 -0.031141 0.000014 0.000000 0.000027 0.000062 32O 4s -0.000920 0.020126 -0.000070 -0.000171 -0.000124 -0.000291 32O 5s 0.001342 -0.012394 0.000225 0.001156 0.000257 0.000579 32O 1pz -0.000004 -0.000292 0.000001 -0.000013 0.000000 0.000004 32O 1px 0.000014 0.000571 -0.000002 -0.000012 -0.000013 -0.000021 32O 1py 0.000019 -0.001274 0.000000 -0.000016 0.000001 -0.000001 32O 2pz 0.000033 0.000310 0.000002 0.000113 -0.000009 -0.000031 32O 2px -0.000093 -0.000548 0.000005 -0.000003 0.000046 0.000065 32O 2py -0.000022 0.001721 -0.000000 0.000093 -0.000007 -0.000007 32O 3pz -0.000181 0.000405 0.000055 0.000088 0.000005 0.000050 32O 3px 0.000496 -0.001617 0.000066 0.000380 0.000091 0.000331 32O 3py 0.000063 -0.001499 0.000050 0.000292 -0.000091 -0.000220 32O 1dz2 -0.000001 -0.000073 0.000002 0.000008 0.000003 0.000007 32O 1dxz -0.000001 -0.000067 -0.000002 -0.000006 -0.000001 0.000001 32O 1dyz -0.000000 -0.000018 -0.000000 0.000002 -0.000006 -0.000009 32O 1dx2y2 0.000001 0.000056 -0.000001 -0.000008 -0.000007 -0.000015 32O 1dxy 0.000001 0.000082 -0.000002 -0.000008 0.000005 0.000007 32O 2dz2 -0.000001 0.000373 -0.000004 0.000011 -0.000015 -0.000038 32O 2dxz -0.000001 0.000313 0.000002 0.000021 -0.000002 -0.000011 32O 2dyz -0.000000 0.000089 0.000007 0.000028 0.000016 0.000024 32O 2dx2y2 -0.000001 -0.000183 0.000005 0.000022 0.000028 0.000056 32O 2dxy -0.000001 -0.000388 0.000008 0.000019 -0.000011 -0.000015 32O 1f0 -0.000003 0.000116 0.000001 0.000010 -0.000002 -0.000003 32O 1f+1 0.000002 -0.000061 -0.000001 -0.000007 -0.000002 -0.000002 32O 1f-1 -0.000001 0.000130 0.000001 0.000013 -0.000001 -0.000002 32O 1f+2 0.000004 -0.000059 0.000000 -0.000002 0.000002 0.000003 32O 1f-2 0.000001 0.000076 -0.000001 -0.000003 0.000001 -0.000001 32O 1f+3 0.000005 -0.000034 -0.000001 -0.000008 -0.000002 -0.000001 32O 1f-3 0.000002 -0.000046 -0.000001 -0.000000 0.000002 0.000004 33O 1s -0.000006 0.000002 0.000119 0.000138 0.000315 -0.000154 33O 2s -0.000004 0.000003 0.000168 0.000173 0.000451 -0.000219 33O 3s -0.000055 0.000017 0.000071 0.000108 0.000061 -0.000045 33O 4s 0.000222 0.000070 -0.000228 0.000209 -0.000024 0.000150 33O 5s 0.000106 -0.001199 -0.000542 0.002807 0.002015 -0.001519 33O 1pz -0.000003 0.000001 -0.000006 0.000018 -0.000032 0.000007 33O 1px 0.000002 -0.000015 0.000004 0.000002 0.000027 -0.000013 33O 1py 0.000004 -0.000005 -0.000001 0.000009 -0.000019 -0.000004 33O 2pz -0.000004 -0.000058 -0.000015 0.000203 0.000290 -0.000086 33O 2px 0.000011 0.000116 0.000027 -0.000548 -0.000296 0.000103 33O 2py -0.000022 0.000011 -0.000003 -0.000071 0.000127 0.000012 33O 3pz 0.000913 -0.000261 -0.000809 -0.001068 0.000529 -0.000114 33O 3px -0.000850 0.000535 0.000428 -0.001288 -0.000685 0.000316 33O 3py 0.000396 0.000034 -0.000314 -0.001176 -0.000267 0.000172 33O 1dz2 0.000009 0.000001 -0.000001 0.000022 0.000014 0.000002 33O 1dxz -0.000004 -0.000001 -0.000009 -0.000022 0.000007 0.000006 33O 1dyz 0.000008 0.000006 -0.000002 0.000044 -0.000003 -0.000001 33O 1dx2y2 -0.000009 0.000005 0.000005 0.000016 -0.000007 0.000003 33O 1dxy -0.000007 0.000005 -0.000002 0.000011 0.000004 0.000001 33O 2dz2 -0.000024 -0.000005 -0.000002 -0.000146 -0.000060 -0.000016 33O 2dxz -0.000008 0.000050 0.000059 -0.000025 -0.000117 0.000012 33O 2dyz -0.000022 -0.000025 0.000005 -0.000197 0.000025 -0.000004 33O 2dx2y2 0.000038 -0.000052 -0.000031 0.000069 0.000082 -0.000022 33O 2dxy 0.000011 -0.000018 0.000014 -0.000010 -0.000038 -0.000014 33O 1f0 -0.000000 0.000005 -0.000001 -0.000012 -0.000003 0.000001 33O 1f+1 -0.000011 0.000007 0.000003 -0.000007 -0.000006 0.000002 33O 1f-1 0.000006 -0.000002 0.000000 -0.000057 0.000005 0.000005 33O 1f+2 0.000003 -0.000011 -0.000002 0.000003 0.000011 -0.000002 33O 1f-2 -0.000009 0.000002 0.000004 0.000019 -0.000005 -0.000002 33O 1f+3 -0.000002 -0.000007 0.000001 -0.000024 0.000006 -0.000003 33O 1f-3 -0.000006 0.000001 -0.000001 -0.000041 -0.000008 -0.000005 34O 1s 0.000003 -0.000008 0.000077 -0.000515 0.134138 0.414479 34O 2s 0.000004 -0.000006 0.000110 -0.000744 0.197056 0.608912 34O 3s 0.000023 -0.000053 0.000032 -0.000083 0.010046 0.030882 34O 4s 0.000043 0.000224 -0.000152 0.000086 -0.007775 -0.023804 34O 5s -0.001210 -0.000210 0.000787 -0.002646 0.002340 0.011471 34O 1pz -0.000004 -0.000003 0.000010 0.000011 -0.000129 -0.000376 34O 1px 0.000013 -0.000001 -0.000000 0.000043 0.000512 0.001565 34O 1py 0.000005 -0.000003 -0.000004 -0.000015 0.000037 0.000080 34O 2pz 0.000012 0.000018 -0.000052 -0.000057 0.000206 0.000589 34O 2px -0.000137 -0.000050 -0.000014 -0.000446 -0.001532 -0.004329 34O 2py 0.000006 0.000029 0.000002 0.000127 0.000142 0.000409 34O 3pz 0.000181 0.000033 -0.000074 0.000482 -0.000018 -0.001231 34O 3px -0.000614 0.001066 -0.000003 -0.001023 -0.000278 -0.000438 34O 3py -0.000043 -0.000595 0.000111 0.000173 0.000105 0.001889 34O 1dz2 -0.000002 -0.000006 0.000003 -0.000001 -0.000034 -0.000101 34O 1dxz -0.000003 0.000008 0.000003 0.000002 0.000000 -0.000009 34O 1dyz -0.000009 0.000000 -0.000001 -0.000003 -0.000005 0.000035 34O 1dx2y2 0.000001 -0.000004 0.000010 0.000014 0.000051 0.000193 34O 1dxy 0.000001 -0.000014 0.000000 0.000008 -0.000034 -0.000088 34O 2dz2 0.000039 0.000016 -0.000003 0.000059 0.000220 0.000617 34O 2dxz 0.000020 -0.000021 -0.000021 -0.000006 0.000012 0.000085 34O 2dyz 0.000033 0.000005 -0.000003 0.000014 0.000015 -0.000163 34O 2dx2y2 -0.000054 0.000017 -0.000046 -0.000158 -0.000326 -0.001087 34O 2dxy 0.000010 0.000033 -0.000013 0.000005 0.000192 0.000470 34O 1f0 -0.000001 -0.000004 0.000009 0.000003 -0.000010 -0.000016 34O 1f+1 0.000009 -0.000005 0.000004 0.000013 0.000030 0.000097 34O 1f-1 -0.000002 0.000004 -0.000003 -0.000003 -0.000006 -0.000014 34O 1f+2 0.000002 0.000003 -0.000002 0.000001 0.000001 0.000026 34O 1f-2 0.000001 -0.000001 0.000002 -0.000001 -0.000007 -0.000007 34O 1f+3 0.000010 0.000003 0.000001 0.000009 0.000039 0.000110 34O 1f-3 -0.000006 0.000013 -0.000000 -0.000007 -0.000025 -0.000071 35O 1s 0.000006 0.000002 0.004866 0.435617 0.000076 0.000513 35O 2s 0.000006 0.000004 0.007142 0.639965 0.000113 0.000768 35O 3s 0.000021 -0.000006 0.000414 0.032479 0.000010 -0.000019 35O 4s 0.000037 0.000088 -0.000353 -0.025050 -0.000112 0.000092 35O 5s -0.000891 -0.000338 -0.001314 0.011818 0.000168 -0.002413 35O 1pz -0.000005 -0.000004 -0.000015 -0.000307 0.000016 0.000013 35O 1px 0.000010 0.000003 0.000026 0.001605 0.000010 0.000040 35O 1py 0.000003 -0.000000 0.000001 0.000411 0.000005 0.000017 35O 2pz 0.000010 -0.000003 0.000006 0.000137 -0.000086 -0.000103 35O 2px -0.000082 -0.000125 -0.000183 -0.004337 -0.000114 -0.000359 35O 2py -0.000041 -0.000045 -0.000069 -0.001546 -0.000032 -0.000164 35O 3pz 0.000203 0.000514 0.000529 -0.001953 0.000008 0.000275 35O 3px -0.000520 0.001150 -0.000283 -0.000200 -0.000141 -0.000782 35O 3py -0.000031 0.000667 0.000224 -0.001280 -0.000149 -0.000456 35O 1dz2 0.000001 0.000002 0.000010 -0.000133 0.000002 -0.000002 35O 1dxz -0.000007 0.000021 0.000000 0.000056 0.000003 -0.000001 35O 1dyz 0.000005 0.000003 0.000016 -0.000010 -0.000005 -0.000001 35O 1dx2y2 0.000003 -0.000005 -0.000003 0.000132 0.000012 0.000012 35O 1dxy -0.000001 0.000008 0.000002 0.000155 0.000000 -0.000004 35O 2dz2 0.000015 -0.000000 -0.000023 0.000742 0.000015 0.000049 35O 2dxz 0.000028 -0.000070 -0.000013 -0.000273 -0.000022 -0.000015 35O 2dyz -0.000020 -0.000019 -0.000071 0.000008 0.000024 0.000002 35O 2dx2y2 -0.000036 0.000002 -0.000007 -0.000770 -0.000077 -0.000114 35O 2dxy -0.000022 -0.000043 -0.000035 -0.000874 -0.000003 -0.000049 35O 1f0 0.000002 -0.000007 0.000002 0.000018 0.000009 0.000003 35O 1f+1 0.000006 0.000004 0.000002 0.000096 0.000005 0.000009 35O 1f-1 0.000002 -0.000003 0.000010 0.000042 -0.000005 0.000002 35O 1f+2 -0.000001 0.000006 -0.000006 -0.000020 -0.000002 -0.000001 35O 1f-2 -0.000004 0.000008 0.000002 -0.000021 -0.000004 -0.000004 35O 1f+3 0.000002 0.000005 0.000001 0.000048 0.000004 0.000003 35O 1f-3 0.000010 -0.000003 0.000002 0.000132 0.000002 0.000009 18 19 20 21 22 23 -19.06514 -19.06512 -19.06467 -19.06457 -17.65746 -17.65744 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s -0.000003 -0.000001 -0.000003 -0.000000 -0.000002 -0.000000 0Rh 2s -0.000036 -0.000010 -0.000037 -0.000006 0.000008 -0.000000 0Rh 3s -0.000043 -0.000012 -0.000044 -0.000007 -0.000005 -0.000000 0Rh 4s 0.000141 0.000036 0.000145 0.000019 -0.000012 0.000001 0Rh 5s -0.000250 -0.000033 -0.000256 -0.000004 0.000002 -0.000002 0Rh 6s 0.000354 0.000050 0.000362 0.000010 -0.000004 0.000004 0Rh 7s -0.001276 -0.000289 -0.001200 -0.000244 0.000018 -0.000033 0Rh 8s -0.000218 -0.000044 -0.000335 0.000149 -0.000019 -0.000008 0Rh 1pz 0.000000 0.000002 0.000000 0.000004 -0.436558 0.004493 0Rh 1px -0.000001 0.000003 -0.000001 0.000002 -0.139194 0.001439 0Rh 1py 0.000000 -0.000004 -0.000000 0.000003 0.021671 -0.000258 0Rh 2pz -0.000001 -0.000010 -0.000000 -0.000020 1.010300 -0.010398 0Rh 2px 0.000005 -0.000016 0.000004 -0.000010 0.322129 -0.003330 0Rh 2py -0.000001 0.000021 0.000001 -0.000016 -0.050152 0.000597 0Rh 3pz 0.000005 0.000060 0.000002 0.000114 0.047188 -0.000473 0Rh 3px -0.000033 0.000096 -0.000025 0.000060 0.015043 -0.000152 0Rh 3py 0.000008 -0.000119 -0.000008 0.000092 -0.002342 0.000028 0Rh 4pz -0.000019 -0.000106 -0.000014 -0.000215 -0.004281 0.000008 0Rh 4px 0.000083 -0.000212 0.000067 -0.000135 -0.001361 0.000003 0Rh 4py -0.000010 0.000229 0.000016 -0.000182 0.000212 -0.000003 0Rh 5pz 0.000052 0.000004 0.000051 0.000082 0.002195 0.000045 0Rh 5px -0.000109 0.000251 -0.000094 0.000173 0.000692 0.000014 0Rh 5py -0.000019 -0.000108 -0.000003 0.000113 -0.000109 0.000002 0Rh 6pz -0.000099 -0.000894 0.000191 -0.002114 -0.000818 -0.000455 0Rh 6px 0.000705 -0.002772 0.000438 -0.001921 -0.000213 -0.000111 0Rh 6py -0.000237 0.002434 0.000202 -0.002009 0.000050 -0.000003 0Rh 1dz2 0.000002 0.000000 -0.000002 -0.000002 0.000102 -0.000002 0Rh 1dxz -0.000001 -0.000000 -0.000001 -0.000001 -0.000166 0.000003 0Rh 1dyz 0.000004 0.000002 -0.000005 -0.000002 -0.000030 0.000001 0Rh 1dx2y2 0.000001 0.000002 -0.000001 0.000001 -0.000060 0.000001 0Rh 1dxy 0.000003 0.000001 -0.000002 -0.000000 0.000001 0.000000 0Rh 2dz2 -0.000009 0.000000 0.000008 0.000006 0.000038 0.000004 0Rh 2dxz 0.000003 0.000000 0.000004 0.000001 -0.000063 -0.000006 0Rh 2dyz -0.000021 -0.000007 0.000022 0.000005 -0.000011 -0.000001 0Rh 2dx2y2 -0.000004 -0.000007 0.000002 -0.000006 -0.000022 -0.000002 0Rh 2dxy -0.000013 -0.000001 0.000012 -0.000001 0.000001 -0.000000 0Rh 3dz2 0.000024 -0.000004 -0.000023 -0.000007 0.000000 -0.000012 0Rh 3dxz -0.000009 0.000005 -0.000011 0.000000 -0.000001 0.000019 0Rh 3dyz 0.000059 0.000002 -0.000064 0.000004 0.000001 0.000004 0Rh 3dx2y2 0.000012 0.000009 -0.000007 0.000011 0.000001 0.000007 0Rh 3dxy 0.000035 -0.000005 -0.000032 0.000007 -0.000000 0.000001 0Rh 4dz2 -0.000050 0.000022 0.000062 -0.000046 0.000005 0.000025 0Rh 4dxz 0.000021 -0.000036 0.000017 -0.000015 -0.000009 -0.000038 0Rh 4dyz -0.000146 0.000084 0.000151 -0.000102 -0.000002 -0.000008 0Rh 4dx2y2 -0.000043 0.000040 0.000009 0.000003 -0.000003 -0.000016 0Rh 4dxy -0.000074 0.000053 0.000063 -0.000028 0.000001 -0.000003 0Rh 5dz2 0.000090 0.000012 -0.000338 0.000039 0.000015 -0.000038 0Rh 5dxz -0.000073 0.000009 0.000002 -0.000051 -0.000024 0.000056 0Rh 5dyz 0.000542 -0.000041 -0.000542 0.000056 -0.000008 0.000012 0Rh 5dx2y2 0.000304 -0.000040 0.000077 0.000023 -0.000011 0.000026 0Rh 5dxy 0.000168 0.000018 -0.000085 -0.000021 -0.000003 0.000005 0Rh 1f0 -0.000006 -0.000008 0.000006 0.000007 0.000010 0.000001 0Rh 1f+1 0.000007 0.000001 0.000007 -0.000003 0.000033 -0.000000 0Rh 1f-1 -0.000005 -0.000004 0.000015 0.000016 0.000018 -0.000002 0Rh 1f+2 -0.000008 -0.000015 -0.000010 -0.000008 -0.000037 0.000002 0Rh 1f-2 -0.000005 -0.000003 -0.000001 -0.000003 -0.000012 0.000000 0Rh 1f+3 0.000011 0.000004 0.000003 -0.000002 0.000020 -0.000001 0Rh 1f-3 -0.000012 -0.000010 0.000010 0.000002 0.000001 0.000000 1Rh 1s -0.000001 -0.000003 -0.000000 -0.000003 0.000000 0.000002 1Rh 2s -0.000008 -0.000036 -0.000006 -0.000037 0.000000 -0.000008 1Rh 3s -0.000009 -0.000043 -0.000006 -0.000044 0.000000 0.000005 1Rh 4s 0.000027 0.000143 0.000017 0.000145 -0.000001 0.000012 1Rh 5s -0.000018 -0.000252 -0.000001 -0.000256 0.000002 -0.000003 1Rh 6s 0.000029 0.000356 0.000005 0.000362 -0.000004 0.000005 1Rh 7s -0.000215 -0.001292 -0.000226 -0.001203 0.000031 -0.000019 1Rh 8s -0.000042 -0.000224 0.000142 -0.000337 0.000009 0.000022 1Rh 1pz -0.000002 -0.000000 -0.000004 -0.000000 -0.004512 -0.438334 1Rh 1px -0.000003 0.000001 -0.000002 0.000001 -0.001398 -0.135230 1Rh 1py 0.000004 -0.000000 -0.000003 0.000000 0.000005 -0.001976 1Rh 2pz 0.000010 0.000001 0.000020 0.000000 0.010441 1.014410 1Rh 2px 0.000017 -0.000004 0.000010 -0.000004 0.003235 0.312955 1Rh 2py -0.000021 0.000000 0.000016 -0.000001 -0.000012 0.004573 1Rh 3pz -0.000059 -0.000008 -0.000114 -0.000003 0.000500 0.047379 1Rh 3px -0.000097 0.000028 -0.000060 0.000025 0.000155 0.014614 1Rh 3py 0.000119 -0.000001 -0.000092 0.000007 -0.000001 0.000214 1Rh 4pz 0.000105 0.000024 0.000215 0.000016 -0.000081 -0.004299 1Rh 4px 0.000216 -0.000072 0.000136 -0.000065 -0.000025 -0.001322 1Rh 4py -0.000229 -0.000002 0.000182 -0.000014 0.000002 -0.000019 1Rh 5pz -0.000002 -0.000052 -0.000082 -0.000052 0.000090 0.002203 1Rh 5px -0.000255 0.000096 -0.000174 0.000092 0.000029 0.000671 1Rh 5py 0.000106 0.000025 -0.000113 0.000002 -0.000003 0.000010 1Rh 6pz 0.000892 0.000143 0.002122 -0.000170 -0.000469 -0.000816 1Rh 6px 0.002799 -0.000561 0.001926 -0.000413 -0.000122 -0.000199 1Rh 6py -0.002429 0.000112 0.002020 -0.000181 0.000021 0.000005 1Rh 1dz2 0.000000 0.000002 -0.000002 -0.000002 -0.000000 -0.000102 1Rh 1dxz -0.000000 -0.000001 -0.000001 -0.000001 0.000001 0.000168 1Rh 1dyz 0.000002 0.000004 -0.000002 -0.000005 0.000000 0.000027 1Rh 1dx2y2 0.000002 0.000001 0.000001 -0.000001 0.000000 0.000057 1Rh 1dxy 0.000001 0.000003 -0.000000 -0.000002 0.000000 0.000009 1Rh 2dz2 0.000001 -0.000009 0.000006 0.000008 -0.000005 -0.000037 1Rh 2dxz 0.000000 0.000003 0.000001 0.000004 0.000007 0.000064 1Rh 2dyz -0.000006 -0.000021 0.000005 0.000022 0.000002 0.000010 1Rh 2dx2y2 -0.000007 -0.000004 -0.000006 0.000002 0.000003 0.000021 1Rh 2dxy -0.000001 -0.000013 -0.000001 0.000012 0.000000 0.000003 1Rh 3dz2 -0.000005 0.000024 -0.000007 -0.000023 0.000012 -0.000001 1Rh 3dxz 0.000005 -0.000009 0.000000 -0.000011 -0.000018 0.000001 1Rh 3dyz -0.000001 0.000059 0.000005 -0.000064 -0.000004 -0.000001 1Rh 3dx2y2 0.000009 0.000013 0.000011 -0.000006 -0.000008 -0.000001 1Rh 3dxy -0.000006 0.000035 0.000007 -0.000032 -0.000000 0.000000 1Rh 4dz2 0.000024 -0.000049 -0.000046 0.000062 -0.000025 -0.000005 1Rh 4dxz -0.000036 0.000019 -0.000016 0.000017 0.000037 0.000008 1Rh 4dyz 0.000091 -0.000141 -0.000104 0.000150 0.000008 0.000002 1Rh 4dx2y2 0.000041 -0.000041 0.000003 0.000009 0.000016 0.000003 1Rh 4dxy 0.000057 -0.000071 -0.000028 0.000063 0.000001 -0.000000 1Rh 5dz2 0.000007 0.000090 0.000042 -0.000337 0.000038 -0.000016 1Rh 5dxz 0.000011 -0.000074 -0.000051 0.000001 -0.000055 0.000026 1Rh 5dyz -0.000068 0.000539 0.000062 -0.000542 -0.000013 0.000007 1Rh 5dx2y2 -0.000054 0.000303 0.000023 0.000078 -0.000026 0.000010 1Rh 5dxy 0.000009 0.000169 -0.000020 -0.000085 -0.000002 0.000004 1Rh 1f0 0.000008 0.000007 -0.000007 -0.000006 0.000001 0.000011 1Rh 1f+1 -0.000001 -0.000007 0.000003 -0.000007 0.000001 0.000033 1Rh 1f-1 0.000004 0.000005 -0.000015 -0.000015 -0.000001 0.000019 1Rh 1f+2 0.000014 0.000009 0.000008 0.000010 0.000001 -0.000037 1Rh 1f-2 0.000003 0.000005 0.000003 0.000001 -0.000000 -0.000011 1Rh 1f+3 -0.000003 -0.000011 0.000002 -0.000003 -0.000001 0.000019 1Rh 1f-3 0.000009 0.000012 -0.000002 -0.000010 0.000000 0.000003 2C 1s -0.000001 -0.000001 0.000012 0.000001 0.000000 0.000001 2C 2s 0.000005 0.000003 -0.000057 -0.000007 -0.000002 -0.000003 2C 3s -0.000093 -0.000037 0.000236 0.000060 -0.000003 0.000006 2C 4s 0.000537 0.000276 0.001287 -0.000248 0.000043 0.000029 2C 5s -0.000197 0.000621 -0.007568 -0.002648 -0.000419 -0.000226 2C 1pz 0.000002 -0.000007 0.000121 0.000016 -0.000001 -0.000001 2C 1px 0.000005 -0.000007 0.000067 0.000006 -0.000003 -0.000001 2C 1py -0.000008 0.000003 0.000077 0.000011 0.000003 0.000002 2C 2pz 0.000073 0.000157 0.000894 -0.000171 0.000046 0.000055 2C 2px -0.000044 0.000099 -0.000608 -0.000021 0.000022 0.000035 2C 2py 0.000213 -0.000016 0.000485 -0.000119 0.000003 0.000031 2C 3pz 0.000085 0.000035 -0.001156 -0.000647 -0.000087 -0.000021 2C 3px 0.000125 -0.000148 -0.001406 -0.000020 0.000035 -0.000085 2C 3py -0.000186 0.000168 -0.001036 -0.000398 -0.000039 -0.000063 2C 1dz2 -0.000003 0.000008 -0.000000 -0.000003 0.000000 -0.000003 2C 1dxz 0.000003 0.000005 0.000026 0.000002 -0.000003 0.000002 2C 1dyz 0.000010 0.000001 0.000060 -0.000004 -0.000001 0.000001 2C 1dx2y2 -0.000008 0.000001 0.000034 0.000002 -0.000003 0.000001 2C 1dxy -0.000010 0.000003 0.000053 0.000001 -0.000003 0.000002 2C 2dz2 0.000011 0.000032 0.000422 -0.000031 0.000014 0.000032 2C 2dxz 0.000014 -0.000004 0.000222 -0.000017 0.000004 -0.000004 2C 2dyz 0.000029 0.000007 0.000091 -0.000030 0.000027 0.000025 2C 2dx2y2 -0.000017 0.000011 -0.000587 0.000019 0.000017 0.000001 2C 2dxy -0.000009 0.000015 -0.000265 0.000009 0.000018 0.000002 2C 1f0 -0.000007 0.000014 0.000008 -0.000004 -0.000000 0.000003 2C 1f+1 0.000001 0.000012 0.000105 -0.000004 0.000001 -0.000002 2C 1f-1 0.000004 0.000000 0.000015 0.000003 0.000002 0.000001 2C 1f+2 -0.000013 0.000004 -0.000034 0.000003 0.000001 0.000000 2C 1f-2 0.000008 -0.000007 0.000040 0.000005 0.000001 -0.000000 2C 1f+3 0.000000 -0.000002 0.000023 0.000000 -0.000001 0.000001 2C 1f-3 0.000007 0.000002 0.000052 -0.000005 -0.000002 -0.000001 3C 1s 0.000012 0.000002 -0.000001 -0.000001 0.000000 0.000000 3C 2s -0.000057 -0.000008 0.000004 0.000003 -0.000001 -0.000001 3C 3s 0.000241 0.000065 -0.000064 -0.000045 -0.000008 0.000001 3C 4s 0.001250 -0.000220 0.000383 0.000328 0.000064 0.000028 3C 5s -0.007383 -0.002984 0.000234 0.000265 -0.000369 -0.000269 3C 1pz 0.000043 0.000011 0.000006 -0.000007 -0.000002 -0.000001 3C 1px 0.000070 0.000010 0.000005 -0.000001 -0.000002 0.000000 3C 1py -0.000133 -0.000020 0.000007 -0.000000 -0.000001 -0.000000 3C 2pz 0.000825 -0.000098 -0.000053 0.000177 0.000035 0.000022 3C 2px -0.000280 -0.000055 -0.000032 0.000067 0.000030 0.000023 3C 2py -0.000719 0.000147 -0.000159 -0.000072 -0.000047 -0.000050 3C 3pz -0.000338 -0.000429 0.000185 -0.000112 -0.000022 0.000019 3C 3px -0.001509 -0.000199 0.000096 -0.000056 -0.000002 -0.000043 3C 3py 0.001335 0.000689 0.000074 -0.000120 0.000073 0.000074 3C 1dz2 -0.000045 -0.000002 -0.000009 0.000010 -0.000001 -0.000003 3C 1dxz -0.000001 -0.000001 0.000004 0.000009 -0.000001 -0.000001 3C 1dyz -0.000047 0.000004 -0.000001 -0.000004 0.000001 0.000002 3C 1dx2y2 0.000020 0.000003 -0.000006 -0.000002 -0.000003 -0.000000 3C 1dxy -0.000057 -0.000002 0.000003 -0.000005 0.000002 -0.000003 3C 2dz2 0.000234 -0.000001 -0.000021 0.000015 0.000002 0.000006 3C 2dxz 0.000331 -0.000005 -0.000006 0.000009 0.000007 0.000014 3C 2dyz -0.000044 0.000013 0.000005 -0.000020 -0.000040 -0.000040 3C 2dx2y2 -0.000668 0.000026 -0.000011 -0.000023 0.000002 -0.000001 3C 2dxy -0.000042 0.000019 0.000006 -0.000026 -0.000017 -0.000002 3C 1f0 0.000006 -0.000004 0.000003 -0.000002 -0.000002 0.000000 3C 1f+1 0.000034 -0.000002 -0.000001 0.000008 0.000001 0.000001 3C 1f-1 0.000020 0.000001 0.000014 -0.000011 -0.000002 -0.000005 3C 1f+2 0.000021 -0.000002 0.000001 -0.000001 0.000000 -0.000001 3C 1f-2 -0.000061 -0.000001 -0.000003 -0.000005 -0.000002 0.000001 3C 1f+3 0.000097 0.000002 0.000009 -0.000002 -0.000000 0.000001 3C 1f-3 -0.000046 0.000006 -0.000009 -0.000002 0.000001 0.000001 4C 1s 0.000001 0.000001 0.000033 -0.000000 0.000001 0.000001 4C 2s -0.000004 -0.000004 -0.000190 0.000001 -0.000005 -0.000006 4C 3s -0.000132 -0.000180 -0.000098 0.000086 0.000159 0.000161 4C 4s 0.000715 0.000973 0.003750 -0.000396 -0.000712 -0.000696 4C 5s 0.002171 0.002240 0.000541 -0.000608 -0.000354 -0.000407 4C 1pz -0.000038 -0.000013 0.000167 -0.000003 0.000008 0.000016 4C 1px 0.000033 -0.000041 -0.000254 -0.000004 0.000017 -0.000012 4C 1py -0.000013 -0.000018 0.000009 -0.000004 0.000008 0.000002 4C 2pz 0.000698 0.000125 0.004501 -0.000103 -0.000047 -0.000184 4C 2px -0.000738 0.000862 -0.004921 -0.000112 -0.000273 0.000235 4C 2py 0.000104 0.000425 0.000846 -0.000101 -0.000108 -0.000001 4C 3pz 0.001147 0.001616 -0.006760 -0.002505 -0.000574 -0.000565 4C 3px -0.000186 0.000772 0.001780 -0.001108 -0.000166 -0.000079 4C 3py 0.001020 0.000941 -0.003519 -0.001926 -0.000334 -0.000298 4C 1dz2 0.000036 -0.000048 0.000075 0.000008 0.000007 0.000009 4C 1dxz -0.000009 0.000005 -0.000343 -0.000018 0.000008 0.000008 4C 1dyz -0.000011 0.000020 0.000114 0.000012 0.000009 0.000009 4C 1dx2y2 0.000034 -0.000006 0.000219 0.000007 -0.000012 -0.000015 4C 1dxy -0.000016 0.000012 -0.000021 -0.000003 -0.000005 -0.000001 4C 2dz2 -0.000107 -0.000068 0.000346 0.000070 0.000047 -0.000067 4C 2dxz -0.000454 0.000075 -0.003492 0.000185 -0.000034 0.000118 4C 2dyz 0.000075 -0.000066 -0.000364 -0.000017 -0.000086 -0.000090 4C 2dx2y2 0.000102 0.000368 0.001576 -0.000216 -0.000085 -0.000039 4C 2dxy -0.000048 0.000308 -0.001176 -0.000067 -0.000096 -0.000008 4C 1f0 -0.000023 -0.000016 0.000010 0.000014 0.000002 0.000010 4C 1f+1 -0.000026 -0.000045 -0.000123 0.000021 0.000015 0.000013 4C 1f-1 0.000012 -0.000012 0.000175 -0.000011 0.000003 -0.000010 4C 1f+2 0.000040 0.000023 0.000151 -0.000019 0.000002 -0.000025 4C 1f-2 -0.000033 0.000031 -0.000168 -0.000006 -0.000009 0.000005 4C 1f+3 0.000037 -0.000030 0.000119 -0.000009 0.000013 -0.000016 4C 1f-3 -0.000020 -0.000045 0.000104 0.000020 0.000026 -0.000003 5C 1s 0.000033 0.000000 0.000001 0.000001 0.000001 0.000001 5C 2s -0.000190 -0.000003 -0.000004 -0.000004 -0.000004 -0.000004 5C 3s -0.000076 0.000080 -0.000161 -0.000147 0.000130 0.000112 5C 4s 0.003612 -0.000293 0.000855 0.000763 -0.000597 -0.000493 5C 5s 0.000447 -0.000514 0.002122 0.002068 -0.000240 -0.000233 5C 1pz 0.000141 0.000002 -0.000019 -0.000006 0.000003 0.000010 5C 1px -0.000234 -0.000014 0.000023 -0.000041 0.000014 -0.000007 5C 1py -0.000127 0.000000 0.000029 0.000017 -0.000004 -0.000007 5C 2pz 0.003345 0.000003 0.000457 -0.000017 0.000001 -0.000112 5C 2px -0.004405 -0.000127 -0.000563 0.000868 -0.000234 0.000145 5C 2py -0.003705 0.000038 -0.000469 -0.000272 0.000020 0.000075 5C 3pz -0.004507 -0.001595 0.000670 0.000948 -0.000320 -0.000325 5C 3px 0.000555 -0.001554 0.000246 0.000835 -0.000188 -0.000139 5C 3py 0.006265 0.002842 -0.001586 -0.001114 0.000362 0.000342 5C 1dz2 -0.000091 -0.000006 0.000026 -0.000046 0.000001 0.000002 5C 1dxz -0.000242 -0.000015 0.000005 -0.000004 0.000008 0.000004 5C 1dyz -0.000251 -0.000023 -0.000028 0.000021 -0.000003 -0.000002 5C 1dx2y2 0.000062 0.000001 0.000022 0.000002 -0.000013 -0.000012 5C 1dxy 0.000229 0.000012 0.000028 -0.000013 -0.000004 -0.000007 5C 2dz2 0.000078 0.000098 -0.000202 -0.000046 0.000091 0.000020 5C 2dxz -0.002341 0.000124 -0.000350 -0.000018 -0.000020 0.000067 5C 2dyz -0.001017 0.000078 -0.000097 -0.000065 0.000049 0.000090 5C 2dx2y2 0.000477 -0.000164 0.000007 0.000427 -0.000062 0.000021 5C 2dxy 0.002992 -0.000059 0.000227 -0.000120 0.000058 -0.000019 5C 1f0 -0.000196 0.000019 -0.000029 -0.000007 -0.000001 0.000013 5C 1f+1 0.000082 0.000017 0.000007 -0.000053 0.000017 0.000001 5C 1f-1 -0.000100 -0.000001 0.000007 -0.000002 -0.000002 0.000006 5C 1f+2 -0.000046 0.000003 -0.000006 0.000012 0.000005 -0.000004 5C 1f-2 0.000246 -0.000010 0.000054 -0.000007 0.000006 -0.000016 5C 1f+3 0.000023 0.000009 -0.000020 -0.000041 0.000019 -0.000003 5C 1f-3 -0.000033 -0.000024 0.000044 0.000027 -0.000009 -0.000010 6C 1s -0.000001 0.000033 0.000001 0.000001 -0.000001 -0.000001 6C 2s 0.000007 -0.000190 -0.000004 -0.000004 0.000004 0.000003 6C 3s 0.000085 -0.000073 -0.000145 -0.000161 -0.000122 -0.000120 6C 4s -0.000481 0.003595 0.000753 0.000857 0.000539 0.000549 6C 5s -0.000536 0.000436 0.002047 0.002146 0.000260 0.000215 6C 1pz 0.000006 -0.000141 0.000006 0.000020 0.000010 0.000003 6C 1px 0.000002 0.000234 0.000042 -0.000022 -0.000007 0.000014 6C 1py -0.000007 0.000126 -0.000016 -0.000029 -0.000008 -0.000003 6C 2pz 0.000170 -0.003342 0.000023 -0.000455 -0.000119 0.000001 6C 2px -0.000101 0.004400 -0.000876 0.000548 0.000152 -0.000223 6C 2py -0.000229 0.003699 0.000266 0.000470 0.000084 0.000015 6C 3pz 0.001354 0.004586 -0.000938 -0.000681 -0.000344 -0.000298 6C 3px 0.001572 -0.000478 -0.000834 -0.000258 -0.000149 -0.000171 6C 3py -0.002505 -0.006408 0.001094 0.001598 0.000377 0.000323 6C 1dz2 -0.000001 -0.000091 -0.000046 0.000026 -0.000003 -0.000001 6C 1dxz -0.000002 -0.000243 -0.000004 0.000005 -0.000005 -0.000007 6C 1dyz -0.000010 -0.000251 0.000022 -0.000027 0.000003 0.000002 6C 1dx2y2 -0.000002 0.000062 0.000001 0.000022 0.000013 0.000012 6C 1dxy 0.000000 0.000229 -0.000013 0.000027 0.000007 0.000003 6C 2dz2 0.000093 0.000082 -0.000044 -0.000202 -0.000024 -0.000087 6C 2dxz 0.000244 -0.002334 -0.000014 -0.000349 -0.000069 0.000022 6C 2dyz 0.000130 -0.001012 -0.000064 -0.000096 -0.000097 -0.000043 6C 2dx2y2 -0.000188 0.000471 0.000426 0.000013 -0.000020 0.000057 6C 2dxy -0.000212 0.002986 -0.000123 0.000224 0.000021 -0.000054 6C 1f0 -0.000029 0.000195 0.000006 0.000029 0.000014 -0.000002 6C 1f+1 -0.000012 -0.000083 0.000053 -0.000006 0.000001 0.000016 6C 1f-1 -0.000005 0.000100 0.000002 -0.000007 0.000006 -0.000002 6C 1f+2 -0.000005 0.000046 -0.000012 0.000006 -0.000005 0.000004 6C 1f-2 0.000023 -0.000245 0.000008 -0.000053 -0.000017 0.000006 6C 1f+3 -0.000008 -0.000023 0.000041 0.000020 -0.000002 0.000018 6C 1f-3 0.000022 0.000034 -0.000026 -0.000044 -0.000010 -0.000008 7C 1s 0.000001 0.000001 -0.000001 0.000033 -0.000001 -0.000001 7C 2s -0.000004 -0.000004 0.000003 -0.000190 0.000006 0.000005 7C 3s -0.000174 -0.000142 0.000087 -0.000097 -0.000158 -0.000163 7C 4s 0.000935 0.000769 -0.000439 0.003746 0.000682 0.000729 7C 5s 0.002133 0.002273 -0.000614 0.000544 0.000398 0.000356 7C 1pz 0.000011 0.000038 0.000004 -0.000167 0.000015 0.000007 7C 1px 0.000042 -0.000031 0.000001 0.000255 -0.000011 0.000018 7C 1py 0.000017 0.000013 0.000004 -0.000009 0.000002 0.000008 7C 2pz -0.000089 -0.000704 0.000155 -0.004496 -0.000178 -0.000044 7C 2px -0.000900 0.000696 0.000055 0.004923 0.000220 -0.000288 7C 2py -0.000420 -0.000127 0.000111 -0.000855 -0.000001 -0.000114 7C 3pz -0.001544 -0.001234 0.002424 0.006798 -0.000557 -0.000583 7C 3px -0.000778 0.000142 0.001126 -0.001781 -0.000082 -0.000168 7C 3py -0.000881 -0.001071 0.001890 0.003552 -0.000287 -0.000349 7C 1dz2 -0.000050 0.000033 0.000007 0.000074 -0.000009 -0.000008 7C 1dxz 0.000005 -0.000009 -0.000014 -0.000343 -0.000008 -0.000008 7C 1dyz 0.000020 -0.000010 0.000010 0.000114 -0.000009 -0.000009 7C 1dx2y2 -0.000007 0.000034 0.000005 0.000219 0.000015 0.000013 7C 1dxy 0.000013 -0.000015 -0.000002 -0.000021 0.000001 0.000005 7C 2dz2 -0.000061 -0.000111 0.000066 0.000345 0.000063 -0.000049 7C 2dxz 0.000099 -0.000452 0.000226 -0.003489 -0.000114 0.000037 7C 2dyz -0.000068 0.000071 -0.000013 -0.000364 0.000088 0.000086 7C 2dx2y2 0.000361 0.000122 -0.000235 0.001580 0.000038 0.000087 7C 2dxy 0.000311 -0.000034 -0.000053 -0.001183 0.000011 0.000101 7C 1f0 0.000015 0.000024 -0.000014 -0.000008 0.000009 0.000002 7C 1f+1 0.000044 0.000028 -0.000022 0.000123 0.000013 0.000016 7C 1f-1 0.000013 -0.000012 0.000014 -0.000176 -0.000009 0.000004 7C 1f+2 -0.000021 -0.000041 0.000020 -0.000150 -0.000024 0.000003 7C 1f-2 -0.000032 0.000032 0.000004 0.000169 0.000004 -0.000009 7C 1f+3 0.000032 -0.000036 0.000011 -0.000118 -0.000016 0.000014 7C 1f-3 0.000044 0.000023 -0.000019 -0.000104 -0.000003 0.000027 8C 1s 0.000001 0.000012 -0.000001 -0.000001 -0.000000 -0.000000 8C 2s -0.000005 -0.000058 0.000003 0.000004 0.000001 0.000000 8C 3s 0.000052 0.000242 -0.000044 -0.000066 -0.000001 0.000008 8C 4s -0.000282 0.001243 0.000322 0.000391 -0.000029 -0.000061 8C 5s -0.002586 -0.007547 0.000262 0.000233 0.000284 0.000342 8C 1pz -0.000008 -0.000044 0.000007 -0.000006 -0.000001 -0.000002 8C 1px -0.000006 -0.000071 0.000001 -0.000005 0.000000 -0.000002 8C 1py 0.000013 0.000133 0.000000 -0.000007 -0.000000 -0.000001 8C 2pz 0.000140 -0.000817 -0.000177 0.000051 0.000022 0.000035 8C 2px 0.000040 0.000291 -0.000068 0.000031 0.000025 0.000029 8C 2py -0.000184 0.000717 0.000070 0.000161 -0.000053 -0.000042 8C 3pz 0.000408 0.000362 0.000113 -0.000184 0.000019 -0.000019 8C 3px 0.000120 0.001524 0.000058 -0.000095 -0.000048 -0.000003 8C 3py -0.000616 -0.001369 0.000120 -0.000073 0.000076 0.000067 8C 1dz2 0.000001 -0.000046 0.000010 -0.000009 0.000003 0.000001 8C 1dxz -0.000001 -0.000001 0.000009 0.000004 0.000001 0.000001 8C 1dyz 0.000006 -0.000047 -0.000004 -0.000001 -0.000002 -0.000001 8C 1dx2y2 0.000002 0.000020 -0.000002 -0.000006 -0.000000 0.000003 8C 1dxy 0.000001 -0.000058 -0.000005 0.000003 0.000003 -0.000002 8C 2dz2 -0.000013 0.000236 0.000016 -0.000021 -0.000005 -0.000003 8C 2dxz -0.000023 0.000332 0.000009 -0.000006 -0.000014 -0.000007 8C 2dyz 0.000015 -0.000042 -0.000021 0.000005 0.000042 0.000038 8C 2dx2y2 0.000060 -0.000666 -0.000022 -0.000011 0.000002 -0.000002 8C 2dxy 0.000021 -0.000043 -0.000026 0.000005 0.000002 0.000016 8C 1f0 0.000004 -0.000005 0.000002 -0.000003 0.000000 -0.000002 8C 1f+1 0.000004 -0.000035 -0.000008 0.000001 0.000001 0.000002 8C 1f-1 0.000000 -0.000020 0.000011 -0.000014 -0.000005 -0.000002 8C 1f+2 0.000004 -0.000021 0.000001 -0.000001 -0.000001 0.000000 8C 1f-2 -0.000002 0.000061 0.000005 0.000003 0.000001 -0.000002 8C 1f+3 0.000003 -0.000097 0.000002 -0.000009 0.000001 -0.000000 8C 1f-3 -0.000008 0.000044 0.000002 0.000009 0.000001 0.000001 9C 1s -0.000000 -0.000001 0.000001 0.000012 -0.000001 -0.000000 9C 2s 0.000002 0.000005 -0.000006 -0.000057 0.000003 0.000002 9C 3s -0.000031 -0.000095 0.000057 0.000236 -0.000006 0.000004 9C 4s 0.000244 0.000551 -0.000262 0.001289 -0.000028 -0.000046 9C 5s 0.000615 -0.000150 -0.002561 -0.007624 0.000224 0.000439 9C 1pz 0.000007 -0.000001 -0.000015 -0.000120 -0.000001 -0.000001 9C 1px 0.000007 -0.000004 -0.000005 -0.000067 -0.000002 -0.000003 9C 1py -0.000004 0.000008 -0.000011 -0.000079 0.000002 0.000003 9C 2pz -0.000152 -0.000082 0.000182 -0.000899 0.000053 0.000046 9C 2px -0.000101 0.000041 0.000014 0.000614 0.000034 0.000022 9C 2py 0.000027 -0.000211 0.000124 -0.000475 0.000031 0.000005 9C 3pz -0.000026 -0.000089 0.000632 0.001157 -0.000020 -0.000091 9C 3px 0.000155 -0.000118 0.000002 0.001408 -0.000080 0.000037 9C 3py -0.000174 0.000173 0.000388 0.001059 -0.000066 -0.000040 9C 1dz2 0.000008 -0.000003 -0.000003 -0.000001 0.000003 -0.000000 9C 1dxz 0.000005 0.000003 0.000001 0.000026 -0.000002 0.000003 9C 1dyz 0.000000 0.000010 -0.000005 0.000060 -0.000001 0.000001 9C 1dx2y2 0.000001 -0.000008 0.000002 0.000033 -0.000001 0.000003 9C 1dxy 0.000003 -0.000010 0.000001 0.000054 -0.000002 0.000003 9C 2dz2 0.000031 0.000011 -0.000036 0.000420 -0.000032 -0.000014 9C 2dxz -0.000005 0.000012 -0.000019 0.000224 0.000003 -0.000004 9C 2dyz 0.000005 0.000030 -0.000031 0.000092 -0.000024 -0.000028 9C 2dx2y2 0.000011 -0.000017 0.000026 -0.000588 -0.000003 -0.000016 9C 2dxy 0.000015 -0.000009 0.000011 -0.000268 -0.000002 -0.000018 9C 1f0 -0.000014 0.000006 0.000004 -0.000007 0.000003 -0.000000 9C 1f+1 -0.000012 -0.000002 0.000005 -0.000104 -0.000002 0.000001 9C 1f-1 -0.000000 -0.000004 -0.000003 -0.000015 0.000001 0.000002 9C 1f+2 -0.000004 0.000013 -0.000003 0.000035 0.000000 0.000001 9C 1f-2 0.000007 -0.000007 -0.000004 -0.000041 -0.000000 0.000001 9C 1f+3 0.000002 0.000000 0.000000 -0.000024 0.000001 -0.000001 9C 1f-3 -0.000002 -0.000007 0.000005 -0.000053 -0.000001 -0.000002 10H 1s -0.000006 -0.000016 0.000068 0.000004 0.000003 0.000001 10H 2s 0.000031 0.000024 0.000614 -0.000030 -0.000034 -0.000019 10H 3s 0.000078 0.000011 0.000830 0.000081 0.000017 0.000040 10H 1pz 0.000001 -0.000003 0.000059 -0.000008 -0.000004 -0.000002 10H 1px 0.000005 0.000006 -0.000049 0.000003 0.000001 0.000002 10H 1py 0.000001 -0.000004 0.000062 -0.000007 -0.000003 -0.000002 11H 1s -0.000009 0.000005 -0.000035 0.000003 0.000004 0.000007 11H 2s -0.000063 0.000072 -0.000300 -0.000016 0.000012 -0.000011 11H 3s 0.000212 -0.000122 0.000457 0.000139 0.000016 -0.000021 11H 1pz -0.000026 0.000015 -0.000027 -0.000010 0.000001 -0.000002 11H 1px -0.000017 0.000010 -0.000087 -0.000001 0.000003 0.000002 11H 1py 0.000004 -0.000004 -0.000021 -0.000000 -0.000001 -0.000002 12H 1s -0.000014 -0.000007 -0.000004 0.000002 0.000001 0.000007 12H 2s 0.000078 0.000019 -0.000122 -0.000039 -0.000005 -0.000012 12H 3s -0.000032 -0.000005 0.000454 0.000132 0.000048 -0.000040 12H 1pz 0.000001 -0.000004 -0.000011 -0.000006 -0.000001 -0.000006 12H 1px 0.000004 -0.000001 -0.000090 -0.000002 0.000002 0.000003 12H 1py 0.000008 -0.000008 -0.000009 -0.000012 -0.000004 -0.000001 13H 1s 0.000063 0.000004 -0.000007 -0.000016 0.000001 -0.000000 13H 2s 0.000532 -0.000019 0.000008 0.000091 -0.000017 -0.000001 13H 3s 0.000793 0.000120 0.000068 -0.000057 0.000038 0.000026 13H 1pz 0.000086 -0.000008 -0.000006 0.000009 -0.000001 -0.000001 13H 1px -0.000005 0.000000 0.000007 -0.000004 -0.000000 -0.000002 13H 1py -0.000025 0.000006 0.000002 -0.000005 0.000001 -0.000001 14H 1s 0.000008 0.000001 -0.000010 0.000001 0.000000 0.000002 14H 2s -0.000015 -0.000035 -0.000040 0.000065 0.000013 -0.000012 14H 3s 0.000413 0.000146 0.000108 -0.000025 0.000022 0.000024 14H 1pz 0.000050 -0.000008 -0.000017 0.000007 0.000000 -0.000000 14H 1px -0.000059 -0.000008 -0.000019 0.000011 0.000004 0.000000 14H 1py 0.000026 0.000007 0.000006 -0.000004 0.000000 0.000000 15H 1s -0.000042 0.000003 -0.000003 -0.000007 0.000001 0.000004 15H 2s -0.000334 -0.000005 0.000045 -0.000013 0.000020 0.000024 15H 3s 0.000448 0.000158 -0.000089 0.000078 0.000024 -0.000025 15H 1pz 0.000022 -0.000002 -0.000002 0.000002 -0.000004 -0.000007 15H 1px -0.000069 -0.000000 0.000006 -0.000004 0.000002 0.000001 15H 1py 0.000049 0.000008 -0.000007 0.000016 -0.000001 -0.000003 16H 1s 0.000002 -0.000004 0.000000 -0.000001 -0.000002 -0.000001 16H 2s 0.000007 -0.000061 -0.000021 0.000209 0.000020 0.000028 16H 3s 0.000004 0.000006 0.000102 -0.000023 -0.000004 -0.000017 16H 1pz 0.000004 -0.000002 0.000001 0.000047 -0.000009 0.000003 16H 1px 0.000004 0.000000 -0.000006 0.000011 0.000010 0.000003 16H 1py -0.000006 0.000008 -0.000002 0.000013 0.000001 0.000002 17H 1s -0.000005 0.000014 0.000003 -0.000005 0.000002 0.000001 17H 2s 0.000075 -0.000293 -0.000003 0.000124 -0.000008 -0.000009 17H 3s 0.000020 0.000242 0.000019 0.000064 0.000007 0.000013 17H 1pz -0.000007 0.000060 0.000000 -0.000031 -0.000003 0.000001 17H 1px -0.000010 0.000029 0.000002 -0.000047 -0.000014 -0.000003 17H 1py 0.000003 -0.000036 0.000001 0.000025 0.000001 -0.000002 18H 1s 0.000013 -0.000005 -0.000005 0.000003 -0.000001 -0.000002 18H 2s -0.000280 0.000059 0.000134 -0.000000 0.000010 0.000004 18H 3s 0.000239 0.000033 0.000067 0.000021 -0.000014 -0.000007 18H 1pz -0.000058 0.000004 0.000033 0.000000 0.000001 -0.000004 18H 1px -0.000026 0.000008 0.000050 -0.000002 -0.000003 -0.000014 18H 1py 0.000033 -0.000001 -0.000025 -0.000001 -0.000002 0.000001 19H 1s -0.000004 0.000002 -0.000001 0.000000 0.000001 0.000002 19H 2s -0.000047 0.000005 0.000214 -0.000018 -0.000027 -0.000023 19H 3s 0.000010 0.000005 -0.000024 0.000103 0.000016 0.000003 19H 1pz -0.000003 -0.000004 -0.000048 -0.000002 0.000003 -0.000008 19H 1px 0.000001 -0.000004 -0.000011 0.000005 0.000003 0.000010 19H 1py -0.000009 0.000005 -0.000015 0.000002 0.000003 0.000000 20H 1s 0.000005 -0.000041 -0.000007 -0.000003 -0.000004 -0.000001 20H 2s 0.000011 -0.000332 -0.000013 0.000045 -0.000024 -0.000019 20H 3s 0.000134 0.000457 0.000077 -0.000087 0.000026 -0.000025 20H 1pz 0.000003 -0.000022 -0.000002 0.000002 -0.000007 -0.000003 20H 1px -0.000003 0.000070 0.000004 -0.000006 0.000001 0.000002 20H 1py -0.000005 -0.000049 -0.000016 0.000006 -0.000002 -0.000001 21H 1s 0.000001 0.000007 0.000001 -0.000009 -0.000002 -0.000000 21H 2s -0.000034 -0.000025 0.000066 -0.000039 0.000013 -0.000014 21H 3s 0.000123 0.000423 -0.000028 0.000108 -0.000022 -0.000019 21H 1pz 0.000011 -0.000048 -0.000007 0.000017 -0.000001 0.000000 21H 1px 0.000005 0.000061 -0.000011 0.000018 0.000001 0.000004 21H 1py -0.000006 -0.000026 0.000004 -0.000006 0.000001 0.000000 22H 1s 0.000000 0.000063 -0.000016 -0.000008 0.000000 -0.000001 22H 2s -0.000047 0.000537 0.000089 0.000009 0.000002 0.000016 22H 3s 0.000079 0.000801 -0.000056 0.000068 -0.000029 -0.000037 22H 1pz 0.000013 -0.000085 -0.000009 0.000005 -0.000001 -0.000001 22H 1px -0.000001 0.000006 0.000004 -0.000007 -0.000001 0.000000 22H 1py -0.000008 0.000026 0.000005 -0.000002 -0.000001 0.000001 23H 1s -0.000006 -0.000014 0.000002 -0.000006 -0.000007 -0.000001 23H 2s 0.000015 0.000077 -0.000037 -0.000133 0.000011 0.000003 23H 3s -0.000003 -0.000032 0.000127 0.000458 0.000041 -0.000050 23H 1pz 0.000004 -0.000001 0.000006 0.000011 -0.000006 -0.000001 23H 1px 0.000001 -0.000004 0.000001 0.000090 0.000003 0.000002 23H 1py 0.000008 -0.000008 0.000012 0.000012 -0.000001 -0.000003 24H 1s 0.000006 -0.000009 0.000004 -0.000034 -0.000006 -0.000004 24H 2s 0.000076 -0.000058 -0.000014 -0.000295 0.000012 -0.000013 24H 3s -0.000131 0.000202 0.000134 0.000461 0.000018 -0.000019 24H 1pz -0.000016 0.000025 0.000010 0.000025 -0.000003 0.000001 24H 1px -0.000012 0.000016 0.000000 0.000087 0.000002 0.000004 24H 1py 0.000004 -0.000003 -0.000000 0.000022 -0.000002 -0.000001 25H 1s -0.000016 -0.000007 0.000003 0.000068 -0.000001 -0.000003 25H 2s 0.000024 0.000032 -0.000038 0.000620 0.000020 0.000035 25H 3s 0.000006 0.000078 0.000071 0.000835 -0.000039 -0.000019 25H 1pz 0.000003 -0.000001 0.000009 -0.000062 -0.000002 -0.000004 25H 1px -0.000005 -0.000006 -0.000004 0.000050 0.000002 0.000001 25H 1py 0.000003 -0.000001 0.000007 -0.000060 -0.000002 -0.000003 26O 1s 0.000048 0.000249 -0.000136 0.000116 -0.000000 -0.000000 26O 2s 0.000073 0.000379 -0.000231 0.000178 0.000007 0.000001 26O 3s -0.000025 -0.000021 0.000092 -0.000053 -0.000058 -0.000005 26O 4s 0.000158 0.000029 0.000264 0.000209 0.000076 -0.000005 26O 5s -0.000765 -0.002551 0.002544 0.000654 0.000684 0.000158 26O 1pz 0.000005 -0.000009 -0.000017 -0.000002 -0.000011 0.000001 26O 1px -0.000005 -0.000036 -0.000007 -0.000006 0.000008 -0.000000 26O 1py 0.000008 -0.000029 -0.000010 -0.000004 -0.000014 -0.000001 26O 2pz -0.000006 0.000075 0.000163 -0.000003 -0.000026 0.000002 26O 2px 0.000011 0.000370 -0.000562 -0.000038 -0.000136 -0.000000 26O 2py -0.000053 0.000246 -0.000127 -0.000012 -0.000030 0.000011 26O 3pz -0.000135 0.000076 0.001932 -0.000350 0.000231 -0.000004 26O 3px 0.000001 0.001183 -0.000703 -0.000709 -0.000301 -0.000104 26O 3py -0.000076 0.000101 0.000971 -0.000495 -0.000112 -0.000081 26O 1dz2 0.000009 -0.000009 0.000005 0.000006 -0.000012 0.000002 26O 1dxz 0.000003 -0.000012 0.000013 0.000000 0.000001 -0.000002 26O 1dyz -0.000001 -0.000002 0.000045 0.000003 -0.000029 0.000002 26O 1dx2y2 0.000001 0.000002 0.000015 -0.000006 0.000004 -0.000002 26O 1dxy -0.000004 0.000008 0.000036 -0.000004 -0.000009 -0.000001 26O 2dz2 -0.000039 0.000102 -0.000105 -0.000037 0.000019 -0.000007 26O 2dxz -0.000020 0.000038 -0.000137 0.000007 0.000004 -0.000001 26O 2dyz -0.000012 -0.000001 -0.000213 -0.000009 0.000097 -0.000009 26O 2dx2y2 -0.000010 -0.000068 0.000079 0.000039 0.000012 0.000014 26O 2dxy 0.000029 -0.000110 -0.000088 0.000036 0.000059 0.000003 26O 1f0 -0.000002 -0.000001 0.000000 0.000002 -0.000002 -0.000002 26O 1f+1 0.000001 -0.000007 0.000026 -0.000000 0.000007 0.000002 26O 1f-1 -0.000003 -0.000002 0.000018 0.000004 0.000023 -0.000000 26O 1f+2 -0.000001 0.000004 -0.000047 -0.000002 -0.000014 0.000002 26O 1f-2 -0.000003 0.000003 0.000052 -0.000002 0.000007 0.000003 26O 1f+3 -0.000008 -0.000000 -0.000013 -0.000001 0.000004 0.000002 26O 1f-3 0.000006 -0.000016 -0.000025 0.000002 0.000007 0.000000 27O 1s -0.000393 0.000322 0.000049 0.000345 -0.000000 -0.000000 27O 2s -0.000607 0.000479 0.000075 0.000521 0.000006 0.000000 27O 3s 0.000072 -0.000031 -0.000011 -0.000024 -0.000046 -0.000003 27O 4s 0.000273 0.000194 0.000111 0.000055 0.000066 -0.000005 27O 5s 0.002627 0.000596 -0.000919 -0.002331 0.000521 0.000127 27O 1pz -0.000006 -0.000001 0.000002 0.000002 0.000001 0.000002 27O 1px -0.000007 -0.000009 -0.000005 -0.000042 0.000004 0.000000 27O 1py 0.000019 0.000002 -0.000010 0.000024 0.000017 0.000001 27O 2pz 0.000151 0.000008 0.000010 -0.000020 -0.000024 -0.000008 27O 2px -0.000578 -0.000035 0.000030 0.000396 -0.000113 -0.000001 27O 2py -0.000091 0.000008 0.000046 -0.000174 0.000002 -0.000010 27O 3pz 0.001360 -0.000144 -0.000072 0.000057 0.000235 0.000045 27O 3px -0.000403 -0.000727 0.000126 0.000959 -0.000242 -0.000084 27O 3py -0.001723 0.000360 0.000073 0.000175 -0.000008 0.000045 27O 1dz2 -0.000030 0.000003 0.000007 -0.000006 0.000009 -0.000001 27O 1dxz 0.000007 0.000002 0.000005 -0.000014 0.000001 -0.000001 27O 1dyz -0.000039 -0.000004 -0.000006 0.000004 0.000019 -0.000001 27O 1dx2y2 0.000011 -0.000007 0.000000 0.000005 0.000010 -0.000003 27O 1dxy -0.000032 0.000001 0.000001 -0.000000 0.000011 -0.000000 27O 2dz2 0.000050 -0.000024 -0.000012 0.000081 -0.000045 0.000001 27O 2dxz -0.000114 -0.000009 -0.000035 0.000077 -0.000008 0.000002 27O 2dyz 0.000158 0.000019 0.000033 -0.000025 -0.000062 0.000001 27O 2dx2y2 0.000106 0.000049 -0.000003 -0.000098 -0.000004 0.000015 27O 2dxy 0.000176 -0.000011 -0.000008 0.000042 -0.000049 0.000005 27O 1f0 0.000002 -0.000001 0.000001 0.000000 -0.000013 -0.000000 27O 1f+1 -0.000021 -0.000000 -0.000000 -0.000007 0.000001 0.000000 27O 1f-1 0.000013 -0.000002 0.000003 0.000000 0.000002 -0.000000 27O 1f+2 -0.000025 -0.000004 0.000005 -0.000004 -0.000010 0.000002 27O 1f-2 -0.000071 -0.000001 -0.000001 -0.000000 -0.000009 -0.000001 27O 1f+3 0.000017 0.000001 -0.000005 -0.000009 0.000012 0.000002 27O 1f-3 0.000003 -0.000003 -0.000007 0.000011 -0.000009 0.000002 28O 1s -0.000964 -0.000195 0.435635 0.002498 -0.000000 -0.000000 28O 2s -0.001404 -0.000283 0.639992 0.003677 0.000000 0.000008 28O 3s -0.000113 -0.000035 0.032514 0.000134 -0.000006 -0.000058 28O 4s 0.000097 0.000136 -0.025258 -0.000063 0.000002 0.000075 28O 5s -0.002473 -0.000957 0.011740 0.001391 0.000199 0.000663 28O 1pz -0.000038 0.000005 -0.000708 -0.000011 0.000002 -0.000007 28O 1px 0.000023 0.000007 0.001540 -0.000003 0.000001 -0.000007 28O 1py -0.000006 0.000001 0.000162 -0.000008 -0.000000 -0.000017 28O 2pz 0.000341 -0.000018 0.002560 -0.000048 -0.000008 -0.000101 28O 2px -0.000280 -0.000042 -0.003993 0.000095 0.000004 0.000098 28O 2py 0.000048 0.000017 0.000022 0.000010 0.000007 0.000011 28O 3pz 0.000304 -0.000040 0.001809 0.000309 -0.000080 0.000031 28O 3px -0.001000 -0.000170 0.000497 0.000372 0.000118 0.000388 28O 3py 0.000167 -0.000068 0.001331 0.000325 -0.000045 0.000034 28O 1dz2 0.000002 -0.000006 0.000024 -0.000008 -0.000001 -0.000010 28O 1dxz -0.000006 0.000002 -0.000217 -0.000008 0.000003 -0.000003 28O 1dyz -0.000009 0.000006 -0.000000 -0.000016 0.000002 -0.000031 28O 1dx2y2 0.000010 -0.000006 0.000115 0.000005 -0.000002 0.000002 28O 1dxy 0.000009 -0.000000 -0.000051 -0.000006 0.000001 -0.000008 28O 2dz2 -0.000031 0.000022 -0.000119 0.000040 0.000001 0.000036 28O 2dxz 0.000118 -0.000011 0.001229 0.000008 -0.000013 -0.000025 28O 2dyz 0.000033 -0.000039 -0.000027 0.000071 -0.000008 0.000105 28O 2dx2y2 -0.000100 0.000013 -0.000690 -0.000010 0.000012 0.000018 28O 2dxy -0.000027 0.000012 0.000251 0.000018 0.000001 0.000022 28O 1f0 -0.000007 -0.000000 -0.000060 -0.000000 0.000003 0.000003 28O 1f+1 -0.000012 0.000009 -0.000074 0.000001 -0.000002 0.000004 28O 1f-1 0.000003 -0.000003 0.000004 0.000009 0.000001 0.000022 28O 1f+2 0.000010 0.000003 0.000128 -0.000003 -0.000001 -0.000019 28O 1f-2 -0.000000 -0.000004 -0.000018 0.000003 -0.000002 0.000008 28O 1f+3 0.000004 -0.000000 0.000067 0.000003 -0.000002 0.000002 28O 1f-3 -0.000001 -0.000001 -0.000021 0.000000 -0.000001 0.000004 29O 1s 0.000003 0.000002 0.000002 -0.000005 -0.000000 -0.000000 29O 2s 0.000006 0.000000 0.000004 -0.000012 0.000000 0.000000 29O 3s -0.000008 0.000021 -0.000002 0.000076 -0.000003 -0.000001 29O 4s 0.000051 -0.000226 0.000015 -0.000332 0.000012 0.000004 29O 5s -0.000209 0.001019 -0.000054 0.000513 -0.000039 -0.000024 29O 1pz -0.000000 -0.000012 0.000004 -0.000011 0.000005 0.000001 29O 1px -0.000003 0.000005 -0.000004 0.000020 0.000002 0.000001 29O 1py 0.000000 0.000015 0.000001 0.000000 -0.000000 -0.000000 29O 2pz -0.000001 0.000061 -0.000012 0.000023 -0.000030 -0.000001 29O 2px 0.000003 0.000040 0.000019 -0.000084 -0.000012 -0.000004 29O 2py -0.000001 -0.000067 -0.000004 0.000027 0.000003 0.000002 29O 3pz -0.000061 0.000224 -0.000007 0.000342 0.000103 0.000042 29O 3px 0.000007 -0.000275 -0.000036 -0.000224 0.000043 0.000020 29O 3py 0.000088 -0.000300 -0.000003 0.000215 -0.000000 0.000005 29O 1dz2 0.000001 -0.000002 0.000002 0.000000 -0.000000 -0.000000 29O 1dxz -0.000002 0.000010 -0.000003 0.000021 0.000001 0.000001 29O 1dyz -0.000002 0.000006 -0.000002 0.000005 0.000002 0.000001 29O 1dx2y2 -0.000001 -0.000003 -0.000001 -0.000008 0.000000 0.000000 29O 1dxy 0.000004 -0.000013 -0.000003 0.000009 0.000000 0.000000 29O 2dz2 -0.000002 0.000003 -0.000004 -0.000018 0.000004 -0.000001 29O 2dxz 0.000003 -0.000017 0.000011 -0.000086 -0.000008 -0.000001 29O 2dyz 0.000009 -0.000042 0.000005 -0.000014 -0.000001 -0.000004 29O 2dx2y2 0.000001 0.000015 0.000000 0.000035 -0.000002 -0.000000 29O 2dxy -0.000007 0.000024 0.000010 -0.000011 0.000002 -0.000001 29O 1f0 0.000000 -0.000004 0.000001 0.000004 0.000001 0.000001 29O 1f+1 -0.000000 -0.000001 0.000002 -0.000007 -0.000001 -0.000000 29O 1f-1 0.000001 0.000000 0.000001 0.000006 0.000000 0.000001 29O 1f+2 -0.000002 0.000008 -0.000002 0.000002 0.000002 0.000000 29O 1f-2 0.000001 -0.000006 0.000000 0.000002 -0.000001 -0.000001 29O 1f+3 -0.000001 0.000003 0.000000 -0.000004 -0.000001 -0.000000 29O 1f-3 -0.000003 0.000009 0.000001 -0.000002 0.000001 0.000000 30O 1s 0.435497 0.011210 0.000965 0.000137 -0.000000 -0.000000 30O 2s 0.639791 0.016474 0.001431 0.000205 0.000000 0.000005 30O 3s 0.032495 0.000783 0.000026 -0.000010 -0.000004 -0.000039 30O 4s -0.025191 -0.000571 0.000000 0.000120 -0.000003 0.000043 30O 5s 0.011840 0.001770 -0.002274 -0.000871 0.000146 0.000467 30O 1pz -0.000611 -0.000019 -0.000031 0.000005 0.000002 0.000005 30O 1px 0.001500 0.000023 0.000025 0.000009 0.000001 -0.000007 30O 1py 0.000485 0.000020 0.000027 -0.000002 0.000001 0.000015 30O 2pz 0.002039 -0.000004 0.000267 -0.000031 -0.000011 -0.000077 30O 2px -0.003741 0.000032 -0.000251 -0.000036 0.000003 0.000061 30O 2py -0.001940 0.000002 -0.000241 -0.000010 -0.000008 0.000025 30O 3pz 0.001166 0.000140 0.000142 -0.000033 -0.000015 0.000088 30O 3px 0.000881 0.000521 -0.000830 -0.000158 0.000074 0.000277 30O 3py -0.001851 -0.000368 -0.000486 0.000083 0.000091 0.000068 30O 1dz2 -0.000015 0.000004 0.000006 -0.000007 -0.000002 0.000012 30O 1dxz -0.000152 -0.000010 -0.000009 0.000001 0.000001 -0.000004 30O 1dyz -0.000090 0.000010 -0.000002 0.000003 0.000001 0.000017 30O 1dx2y2 0.000040 0.000008 0.000012 -0.000006 -0.000001 0.000009 30O 1dxy 0.000176 0.000016 0.000000 -0.000004 -0.000002 0.000009 30O 2dz2 0.000132 -0.000019 -0.000020 0.000038 0.000005 -0.000042 30O 2dxz 0.000856 0.000029 0.000102 -0.000018 -0.000008 -0.000003 30O 2dyz 0.000520 -0.000058 0.000057 -0.000002 -0.000003 -0.000069 30O 2dx2y2 -0.000260 -0.000034 -0.000079 0.000023 0.000010 -0.000021 30O 2dxy -0.000965 -0.000050 -0.000067 0.000007 0.000007 -0.000009 30O 1f0 -0.000074 -0.000008 -0.000010 0.000003 0.000000 -0.000008 30O 1f+1 -0.000017 -0.000000 -0.000006 0.000009 -0.000000 -0.000004 30O 1f-1 -0.000012 -0.000002 -0.000001 0.000002 -0.000002 0.000002 30O 1f+2 0.000045 -0.000004 0.000003 0.000004 -0.000002 -0.000013 30O 1f-2 0.000118 -0.000002 0.000011 -0.000002 0.000000 -0.000009 30O 1f+3 -0.000022 0.000005 -0.000002 -0.000002 -0.000002 0.000011 30O 1f-3 0.000093 0.000001 0.000005 0.000002 -0.000002 -0.000009 31O 1s -0.011211 0.435497 0.000165 0.000831 0.000000 0.000000 31O 2s -0.016464 0.639792 0.000245 0.001233 -0.000006 -0.000000 31O 3s -0.000890 0.032492 -0.000008 0.000015 0.000042 0.000003 31O 4s 0.000726 -0.025190 0.000119 0.000011 -0.000047 0.000004 31O 5s 0.001157 0.011921 -0.000842 -0.002279 -0.000505 -0.000125 31O 1pz -0.000013 0.000612 -0.000005 0.000031 0.000004 0.000002 31O 1px 0.000054 -0.001499 -0.000008 -0.000025 -0.000008 0.000001 31O 1py 0.000005 -0.000484 0.000002 -0.000027 0.000015 0.000001 31O 2pz 0.000109 -0.002037 0.000034 -0.000266 -0.000079 -0.000010 31O 2px -0.000224 0.003734 0.000033 0.000249 0.000067 0.000001 31O 2py -0.000102 0.001936 0.000007 0.000239 0.000029 -0.000009 31O 3pz -0.000077 -0.001172 0.000035 -0.000141 0.000079 -0.000011 31O 3px -0.000474 -0.000907 0.000147 0.000830 0.000297 0.000062 31O 3py 0.000270 0.001870 -0.000089 0.000483 0.000066 0.000087 31O 1dz2 0.000005 -0.000015 -0.000007 0.000006 -0.000012 0.000002 31O 1dxz -0.000002 -0.000152 0.000001 -0.000009 0.000004 -0.000001 31O 1dyz 0.000015 -0.000089 0.000003 -0.000002 -0.000018 -0.000001 31O 1dx2y2 0.000006 0.000041 -0.000006 0.000012 -0.000009 0.000001 31O 1dxy 0.000007 0.000177 -0.000004 0.000000 -0.000009 0.000002 31O 2dz2 -0.000026 0.000131 0.000038 -0.000020 0.000044 -0.000006 31O 2dxz -0.000016 0.000856 -0.000019 0.000101 0.000003 0.000008 31O 2dyz -0.000084 0.000517 -0.000002 0.000057 0.000075 0.000002 31O 2dx2y2 -0.000021 -0.000261 0.000024 -0.000078 0.000022 -0.000010 31O 2dxy 0.000000 -0.000966 0.000008 -0.000066 0.000010 -0.000007 31O 1f0 0.000004 0.000074 -0.000003 0.000010 -0.000008 0.000001 31O 1f+1 -0.000001 0.000017 -0.000009 0.000006 -0.000004 -0.000000 31O 1f-1 0.000001 0.000012 -0.000002 0.000001 0.000001 -0.000002 31O 1f+2 0.000006 -0.000044 -0.000004 -0.000003 -0.000013 -0.000002 31O 1f-2 0.000008 -0.000118 0.000002 -0.000010 -0.000010 0.000000 31O 1f+3 -0.000006 0.000022 0.000002 0.000002 0.000012 -0.000002 31O 1f-3 0.000004 -0.000093 -0.000002 -0.000005 -0.000009 -0.000001 32O 1s 0.000002 0.000003 -0.000005 0.000002 0.000000 0.000000 32O 2s 0.000001 0.000006 -0.000012 0.000003 -0.000000 -0.000000 32O 3s 0.000023 -0.000007 0.000076 -0.000002 0.000001 0.000003 32O 4s -0.000232 0.000039 -0.000332 0.000011 -0.000004 -0.000013 32O 5s 0.001006 -0.000156 0.000502 -0.000049 0.000023 0.000046 32O 1pz 0.000013 0.000001 0.000011 -0.000004 0.000001 0.000005 32O 1px -0.000005 0.000002 -0.000020 0.000004 0.000001 0.000002 32O 1py -0.000014 -0.000001 -0.000000 -0.000001 -0.000000 -0.000000 32O 2pz -0.000064 -0.000002 -0.000022 0.000011 -0.000002 -0.000030 32O 2px -0.000037 -0.000005 0.000086 -0.000018 -0.000004 -0.000012 32O 2py 0.000060 0.000004 -0.000030 0.000004 0.000002 0.000002 32O 3pz -0.000229 0.000049 -0.000338 0.000004 0.000044 0.000102 32O 3px 0.000276 0.000007 0.000227 0.000040 0.000021 0.000042 32O 3py 0.000295 -0.000072 -0.000220 -0.000001 0.000003 0.000008 32O 1dz2 -0.000002 0.000001 0.000000 0.000002 0.000000 0.000000 32O 1dxz 0.000011 -0.000001 0.000022 -0.000003 -0.000001 -0.000001 32O 1dyz 0.000006 -0.000002 0.000005 -0.000002 -0.000001 -0.000002 32O 1dx2y2 -0.000004 -0.000001 -0.000008 -0.000001 -0.000000 -0.000000 32O 1dxy -0.000014 0.000003 0.000009 -0.000003 -0.000000 -0.000000 32O 2dz2 0.000002 -0.000002 -0.000019 -0.000004 0.000001 -0.000004 32O 2dxz -0.000018 0.000003 -0.000088 0.000010 0.000001 0.000008 32O 2dyz -0.000043 0.000007 -0.000014 0.000005 0.000005 0.000000 32O 2dx2y2 0.000017 0.000001 0.000035 0.000001 0.000000 0.000002 32O 2dxy 0.000027 -0.000006 -0.000010 0.000010 0.000001 -0.000002 32O 1f0 0.000004 -0.000000 -0.000003 -0.000001 0.000001 0.000001 32O 1f+1 0.000000 0.000000 0.000007 -0.000001 -0.000000 -0.000001 32O 1f-1 -0.000001 -0.000001 -0.000007 -0.000001 0.000001 0.000000 32O 1f+2 -0.000007 0.000001 -0.000001 0.000002 0.000000 0.000002 32O 1f-2 0.000006 -0.000000 -0.000002 -0.000000 -0.000001 -0.000000 32O 1f+3 -0.000003 0.000001 0.000004 -0.000000 -0.000000 -0.000001 32O 1f-3 -0.000009 0.000002 0.000002 -0.000001 0.000000 0.000001 33O 1s -0.000111 -0.000836 -0.002500 0.435635 0.000000 0.000000 33O 2s -0.000160 -0.001215 -0.003667 0.639992 -0.000007 -0.000000 33O 3s -0.000027 -0.000105 -0.000239 0.032514 0.000056 0.000005 33O 4s 0.000129 0.000095 0.000227 -0.025260 -0.000072 -0.000000 33O 5s -0.000823 -0.002521 0.001258 0.011760 -0.000641 -0.000194 33O 1pz -0.000007 0.000038 0.000003 0.000707 -0.000006 0.000002 33O 1px -0.000006 -0.000024 0.000021 -0.001540 -0.000007 0.000001 33O 1py -0.000001 0.000006 0.000010 -0.000161 -0.000017 0.000000 33O 2pz 0.000036 -0.000341 0.000078 -0.002556 -0.000099 -0.000006 33O 2px 0.000027 0.000284 -0.000141 0.003995 0.000093 0.000003 33O 2py -0.000014 -0.000049 -0.000009 -0.000027 0.000013 0.000007 33O 3pz 0.000057 -0.000298 -0.000288 -0.001807 0.000035 -0.000086 33O 3px 0.000118 0.001009 -0.000367 -0.000504 0.000379 0.000113 33O 3py 0.000076 -0.000165 -0.000309 -0.001333 0.000023 -0.000045 33O 1dz2 -0.000006 0.000002 -0.000008 0.000024 0.000009 0.000001 33O 1dxz 0.000002 -0.000006 -0.000006 -0.000217 0.000003 -0.000003 33O 1dyz 0.000007 -0.000009 -0.000016 -0.000000 0.000030 -0.000002 33O 1dx2y2 -0.000007 0.000010 0.000004 0.000115 -0.000002 0.000002 33O 1dxy -0.000001 0.000009 -0.000005 -0.000051 0.000008 -0.000001 33O 2dz2 0.000024 -0.000029 0.000041 -0.000116 -0.000034 -0.000000 33O 2dxz -0.000017 0.000118 -0.000006 0.001228 0.000024 0.000014 33O 2dyz -0.000041 0.000031 0.000071 -0.000027 -0.000101 0.000010 33O 2dx2y2 0.000018 -0.000100 -0.000002 -0.000691 -0.000017 -0.000012 33O 2dxy 0.000013 -0.000026 0.000015 0.000253 -0.000020 0.000000 33O 1f0 -0.000000 0.000007 -0.000000 0.000060 0.000002 0.000003 33O 1f+1 -0.000010 0.000011 -0.000002 0.000073 0.000003 -0.000002 33O 1f-1 0.000003 -0.000003 -0.000009 -0.000004 0.000021 0.000001 33O 1f+2 -0.000002 -0.000010 0.000004 -0.000128 -0.000019 -0.000001 33O 1f-2 0.000004 0.000000 -0.000004 0.000018 0.000008 -0.000002 33O 1f+3 0.000000 -0.000004 -0.000002 -0.000067 0.000002 -0.000002 33O 1f-3 0.000001 0.000001 -0.000001 0.000021 0.000004 -0.000001 34O 1s 0.000350 -0.000365 0.000374 0.000050 0.000000 0.000000 34O 2s 0.000521 -0.000566 0.000563 0.000076 -0.000000 -0.000005 34O 3s -0.000033 0.000071 -0.000022 -0.000011 0.000004 0.000043 34O 4s 0.000178 0.000281 0.000053 0.000112 0.000004 -0.000063 34O 5s 0.000458 0.002645 -0.002322 -0.000950 -0.000146 -0.000482 34O 1pz 0.000001 0.000006 -0.000002 -0.000002 0.000002 0.000002 34O 1px 0.000009 0.000007 0.000042 0.000005 0.000000 0.000004 34O 1py -0.000001 -0.000019 -0.000024 0.000010 0.000001 0.000016 34O 2pz 0.000000 -0.000151 0.000020 -0.000010 -0.000008 -0.000026 34O 2px 0.000006 0.000577 -0.000396 -0.000036 -0.000003 -0.000106 34O 2py -0.000012 0.000091 0.000174 -0.000044 -0.000010 -0.000001 34O 3pz 0.000211 -0.001351 -0.000059 0.000073 0.000048 0.000232 34O 3px 0.000702 0.000437 -0.000960 -0.000139 -0.000095 -0.000222 34O 3py -0.000447 0.001706 -0.000174 -0.000075 0.000045 0.000001 34O 1dz2 0.000004 -0.000029 -0.000006 0.000007 0.000000 -0.000009 34O 1dxz 0.000002 0.000007 -0.000015 0.000005 0.000001 -0.000001 34O 1dyz -0.000002 -0.000039 0.000004 -0.000006 0.000000 -0.000017 34O 1dx2y2 -0.000007 0.000011 0.000005 0.000000 0.000003 -0.000010 34O 1dxy 0.000002 -0.000032 -0.000000 0.000001 -0.000000 -0.000010 34O 2dz2 -0.000026 0.000049 0.000081 -0.000011 0.000001 0.000042 34O 2dxz -0.000003 -0.000115 0.000078 -0.000034 -0.000001 0.000009 34O 2dyz 0.000011 0.000159 -0.000025 0.000033 -0.000001 0.000057 34O 2dx2y2 0.000043 0.000108 -0.000098 -0.000005 -0.000015 0.000004 34O 2dxy -0.000020 0.000176 0.000042 -0.000007 -0.000004 0.000047 34O 1f0 0.000001 -0.000002 -0.000000 -0.000001 -0.000001 -0.000012 34O 1f+1 -0.000001 0.000021 0.000007 0.000000 0.000001 0.000001 34O 1f-1 0.000002 -0.000013 -0.000000 -0.000003 -0.000000 0.000003 34O 1f+2 0.000003 0.000025 0.000005 -0.000005 0.000002 -0.000009 34O 1f-2 -0.000002 0.000071 0.000000 0.000001 -0.000001 -0.000008 34O 1f+3 0.000000 -0.000017 0.000009 0.000005 0.000002 0.000011 34O 1f-3 0.000003 -0.000003 -0.000011 0.000007 0.000002 -0.000009 35O 1s 0.000258 0.000063 0.000127 -0.000132 0.000000 0.000000 35O 2s 0.000391 0.000096 0.000194 -0.000224 -0.000001 -0.000008 35O 3s -0.000019 -0.000026 -0.000054 0.000092 0.000006 0.000060 35O 4s 0.000022 0.000161 0.000207 0.000266 0.000003 -0.000080 35O 5s -0.002510 -0.000899 0.000621 0.002546 -0.000165 -0.000707 35O 1pz 0.000010 -0.000004 0.000002 0.000017 0.000001 -0.000012 35O 1px 0.000035 0.000007 0.000006 0.000007 0.000000 0.000008 35O 1py 0.000030 -0.000007 0.000004 0.000010 -0.000001 -0.000014 35O 2pz -0.000075 0.000002 0.000004 -0.000163 0.000001 -0.000026 35O 2px -0.000369 -0.000030 0.000032 0.000562 -0.000003 -0.000141 35O 2py -0.000249 0.000041 0.000011 0.000126 0.000011 -0.000034 35O 3pz -0.000082 0.000131 0.000374 -0.001932 0.000002 0.000234 35O 3px -0.001179 -0.000064 0.000701 0.000710 -0.000104 -0.000316 35O 3py -0.000105 0.000070 0.000507 -0.000969 -0.000083 -0.000106 35O 1dz2 -0.000010 0.000009 0.000006 0.000005 -0.000001 0.000012 35O 1dxz -0.000012 0.000003 0.000000 0.000013 0.000002 -0.000000 35O 1dyz -0.000002 -0.000001 0.000002 0.000045 -0.000002 0.000030 35O 1dx2y2 0.000002 0.000002 -0.000006 0.000015 0.000002 -0.000004 35O 1dxy 0.000008 -0.000003 -0.000005 0.000036 0.000001 0.000009 35O 2dz2 0.000104 -0.000034 -0.000036 -0.000104 0.000006 -0.000021 35O 2dxz 0.000038 -0.000018 0.000008 -0.000137 0.000000 -0.000005 35O 2dyz -0.000001 -0.000013 -0.000007 -0.000214 0.000007 -0.000101 35O 2dx2y2 -0.000068 -0.000014 0.000038 0.000080 -0.000014 -0.000013 35O 2dxy -0.000112 0.000023 0.000037 -0.000088 -0.000004 -0.000061 35O 1f0 0.000001 0.000002 -0.000002 -0.000000 -0.000002 -0.000001 35O 1f+1 0.000008 -0.000001 0.000000 -0.000026 0.000002 0.000007 35O 1f-1 0.000002 0.000003 -0.000004 -0.000018 0.000000 0.000024 35O 1f+2 -0.000004 0.000001 0.000002 0.000048 0.000002 -0.000015 35O 1f-2 -0.000003 0.000003 0.000003 -0.000052 0.000003 0.000007 35O 1f+3 -0.000000 0.000008 0.000000 0.000012 0.000002 0.000004 35O 1f-3 0.000017 -0.000005 -0.000002 0.000025 0.000000 0.000008 24 25 26 27 28 29 -17.65736 -17.65735 -17.65197 -17.65195 -11.34180 -11.34178 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s 0.000007 0.000000 0.000115 -0.000002 -0.000007 0.000000 0Rh 2s -0.000025 0.000000 -0.000451 0.000029 0.000034 0.000004 0Rh 3s 0.000017 0.000000 0.000274 0.000011 -0.000016 0.000003 0Rh 4s 0.000032 -0.000001 0.000607 -0.000080 -0.000070 -0.000017 0Rh 5s 0.000005 0.000002 0.000007 0.000107 0.000043 0.000043 0Rh 6s 0.000002 -0.000002 0.000185 -0.000117 -0.000036 -0.000098 0Rh 7s 0.000001 -0.000033 -0.001119 -0.000637 0.000130 0.000295 0Rh 8s 0.000020 0.000008 0.000666 -0.000026 0.000133 0.000085 0Rh 1pz 0.046270 0.000375 0.133013 -0.003935 -0.000039 -0.000002 0Rh 1px -0.075029 -0.000656 -0.430472 0.012732 0.000022 -0.000001 0Rh 1py 0.450182 0.003881 -0.085416 0.002525 -0.000027 -0.000002 0Rh 2pz -0.107080 -0.000867 -0.307842 0.009106 0.000095 0.000009 0Rh 2px 0.173636 0.001519 0.996277 -0.029464 -0.000059 0.000005 0Rh 2py -1.041831 -0.008982 0.197686 -0.005843 0.000062 0.000009 0Rh 3pz -0.005003 -0.000039 -0.014314 0.000427 0.000049 -0.000032 0Rh 3px 0.008112 0.000067 0.046315 -0.001379 0.000044 -0.000041 0Rh 3py -0.048656 -0.000407 0.009187 -0.000272 0.000048 -0.000039 0Rh 4pz 0.000457 0.000001 0.001292 -0.000034 -0.000105 0.000066 0Rh 4px -0.000743 0.000003 -0.004166 0.000109 -0.000066 0.000115 0Rh 4py 0.004411 0.000001 -0.000819 0.000018 -0.000089 0.000091 0Rh 5pz -0.000239 0.000003 -0.000703 -0.000026 0.000183 -0.000036 0Rh 5px 0.000391 -0.000013 0.002243 0.000083 0.000084 -0.000151 0Rh 5py -0.002259 0.000050 0.000428 0.000019 0.000140 -0.000081 0Rh 6pz 0.000136 -0.000051 0.000597 0.000130 -0.000788 -0.000579 0Rh 6px -0.000242 0.000144 -0.001660 -0.000343 -0.000265 -0.000323 0Rh 6py 0.000828 -0.000454 -0.000131 -0.000035 -0.000317 -0.000554 0Rh 1dz2 -0.000003 -0.000000 0.000088 -0.000004 0.457004 0.012349 0Rh 1dxz 0.000031 0.000000 0.000122 -0.000005 0.460454 0.012574 0Rh 1dyz -0.000061 -0.000001 0.000021 -0.000001 0.074013 0.001966 0Rh 1dx2y2 -0.000057 -0.000001 -0.000183 0.000008 0.291206 0.007849 0Rh 1dxy 0.000186 0.000003 -0.000063 0.000003 0.323452 0.008752 0Rh 2dz2 0.000002 0.000001 0.000089 0.000002 0.167280 0.004527 0Rh 2dxz 0.000014 -0.000000 0.000120 0.000003 0.168198 0.004591 0Rh 2dyz -0.000024 0.000002 0.000021 0.000000 0.027439 0.000731 0Rh 2dx2y2 -0.000022 0.000002 -0.000180 -0.000004 0.106482 0.002880 0Rh 2dxy 0.000072 -0.000007 -0.000064 -0.000001 0.118273 0.003204 0Rh 3dz2 0.000000 -0.000001 -0.000012 -0.000014 0.032627 0.000861 0Rh 3dxz 0.000001 0.000001 -0.000011 -0.000020 0.032791 0.000902 0Rh 3dyz -0.000001 -0.000007 -0.000003 -0.000003 0.005544 0.000142 0Rh 3dx2y2 -0.000000 -0.000007 0.000021 0.000030 0.020693 0.000530 0Rh 3dxy -0.000001 0.000021 0.000009 0.000010 0.023112 0.000615 0Rh 4dz2 -0.000001 0.000004 0.000000 0.000048 -0.003629 -0.000035 0Rh 4dxz -0.000000 -0.000002 -0.000002 0.000066 -0.003559 -0.000123 0Rh 4dyz -0.000000 0.000015 0.000000 0.000011 -0.001161 -0.000008 0Rh 4dx2y2 -0.000002 0.000013 0.000001 -0.000098 -0.002097 0.000001 0Rh 4dxy 0.000010 -0.000043 -0.000001 -0.000033 -0.002657 -0.000060 0Rh 5dz2 -0.000000 -0.000008 0.000038 -0.000124 0.002319 -0.000176 0Rh 5dxz 0.000011 0.000001 0.000054 -0.000170 0.001964 0.000125 0Rh 5dyz -0.000016 -0.000026 0.000009 -0.000028 0.001846 -0.000046 0Rh 5dx2y2 -0.000017 -0.000016 -0.000079 0.000255 0.000925 0.000014 0Rh 5dxy 0.000026 0.000064 -0.000028 0.000087 0.001786 0.000126 0Rh 1f0 -0.000011 -0.000001 -0.000016 -0.000009 0.000014 -0.000010 0Rh 1f+1 -0.000004 -0.000000 0.000017 0.000007 -0.000004 0.000032 0Rh 1f-1 -0.000021 -0.000002 0.000005 0.000002 0.000004 -0.000001 0Rh 1f+2 0.000005 -0.000001 0.000020 0.000011 -0.000006 -0.000003 0Rh 1f-2 -0.000029 -0.000001 0.000010 0.000004 -0.000008 0.000006 0Rh 1f+3 0.000026 0.000001 0.000025 0.000013 -0.000001 -0.000003 0Rh 1f-3 -0.000037 -0.000000 0.000018 0.000008 0.000014 0.000016 1Rh 1s -0.000000 0.000006 0.000005 0.000115 0.000000 -0.000007 1Rh 2s 0.000000 -0.000023 0.000002 -0.000453 0.000002 0.000034 1Rh 3s 0.000000 0.000016 0.000027 0.000273 0.000004 -0.000016 1Rh 4s -0.000001 0.000030 -0.000044 0.000612 -0.000013 -0.000070 1Rh 5s 0.000001 0.000005 0.000108 0.000001 0.000041 0.000045 1Rh 6s -0.000002 0.000001 -0.000106 0.000192 -0.000097 -0.000040 1Rh 7s -0.000035 0.000003 -0.000701 -0.001080 0.000291 0.000143 1Rh 8s 0.000007 0.000018 0.000013 0.000667 0.000075 0.000137 1Rh 1pz 0.000166 -0.023291 -0.003939 -0.133181 0.000000 0.000040 1Rh 1px -0.000716 0.082080 0.012732 0.430449 0.000002 -0.000021 1Rh 1py 0.003884 -0.450727 0.002524 0.085270 0.000001 0.000027 1Rh 2pz -0.000385 0.053901 0.009116 0.308232 -0.000004 -0.000096 1Rh 2px 0.001657 -0.189953 -0.029468 -0.996224 -0.000008 0.000058 1Rh 2py -0.008987 1.043093 -0.005841 -0.197347 -0.000005 -0.000064 1Rh 3pz -0.000020 0.002519 0.000421 0.014332 0.000035 -0.000047 1Rh 3px 0.000081 -0.008874 -0.001360 -0.046313 0.000044 -0.000041 1Rh 3py -0.000432 0.048714 -0.000271 -0.009171 0.000040 -0.000046 1Rh 4pz 0.000007 -0.000232 -0.000042 -0.001294 -0.000071 0.000101 1Rh 4px -0.000016 0.000811 0.000138 0.004167 -0.000120 0.000058 1Rh 4py 0.000075 -0.004417 0.000031 0.000818 -0.000094 0.000085 1Rh 5pz -0.000009 0.000124 0.000068 0.000701 0.000046 -0.000181 1Rh 5px 0.000018 -0.000426 -0.000215 -0.002235 0.000157 -0.000074 1Rh 5py -0.000089 0.002261 -0.000045 -0.000426 0.000087 -0.000138 1Rh 6pz 0.000078 -0.000092 -0.000164 -0.000588 0.000532 0.000817 1Rh 6px -0.000141 0.000248 0.000442 0.001639 0.000313 0.000277 1Rh 6py 0.000466 -0.000822 0.000043 0.000132 0.000528 0.000370 1Rh 1dz2 -0.000000 0.000003 0.000001 0.000089 -0.012372 0.454709 1Rh 1dxz -0.000000 0.000022 0.000002 0.000122 -0.012409 0.460886 1Rh 1dyz 0.000000 -0.000062 0.000000 0.000021 -0.001997 0.072191 1Rh 1dx2y2 0.000000 -0.000060 -0.000003 -0.000184 -0.007923 0.290471 1Rh 1dxy -0.000000 0.000186 -0.000001 -0.000064 -0.008887 0.327128 1Rh 2dz2 0.000001 0.000004 0.000007 0.000089 -0.004522 0.166441 1Rh 2dxz -0.000001 0.000010 0.000010 0.000120 -0.004535 0.168356 1Rh 2dyz 0.000003 -0.000025 0.000002 0.000021 -0.000739 0.026772 1Rh 2dx2y2 0.000002 -0.000023 -0.000015 -0.000180 -0.002887 0.106215 1Rh 2dxy -0.000008 0.000072 -0.000005 -0.000064 -0.003245 0.119616 1Rh 3dz2 -0.000002 0.000000 -0.000015 -0.000011 -0.000904 0.032459 1Rh 3dxz 0.000002 0.000001 -0.000021 -0.000009 -0.000877 0.032820 1Rh 3dyz -0.000007 -0.000001 -0.000003 -0.000002 -0.000155 0.005412 1Rh 3dx2y2 -0.000006 -0.000000 0.000031 0.000018 -0.000591 0.020639 1Rh 3dxy 0.000021 -0.000000 0.000010 0.000008 -0.000646 0.023372 1Rh 4dz2 0.000005 -0.000001 0.000048 -0.000003 0.000162 -0.003606 1Rh 4dxz -0.000004 -0.000001 0.000065 -0.000006 0.000070 -0.003562 1Rh 4dyz 0.000015 -0.000000 0.000011 -0.000000 0.000055 -0.001143 1Rh 4dx2y2 0.000012 -0.000002 -0.000098 0.000007 0.000115 -0.002089 1Rh 4dxy -0.000043 0.000009 -0.000033 0.000001 0.000086 -0.002684 1Rh 5dz2 -0.000010 0.000001 -0.000122 0.000046 -0.000302 0.002292 1Rh 5dxz 0.000004 0.000010 -0.000167 0.000063 0.000017 0.001967 1Rh 5dyz -0.000024 -0.000016 -0.000028 0.000011 -0.000147 0.001825 1Rh 5dx2y2 -0.000015 -0.000018 0.000250 -0.000094 -0.000034 0.000924 1Rh 5dxy 0.000064 0.000028 0.000085 -0.000033 0.000026 0.001804 1Rh 1f0 0.000001 0.000011 0.000010 0.000016 0.000011 -0.000014 1Rh 1f+1 0.000000 0.000002 -0.000008 -0.000017 -0.000032 0.000002 1Rh 1f-1 0.000002 0.000020 -0.000002 -0.000005 0.000001 -0.000004 1Rh 1f+2 0.000001 -0.000003 -0.000012 -0.000020 0.000002 0.000007 1Rh 1f-2 0.000001 0.000030 -0.000005 -0.000010 -0.000007 0.000008 1Rh 1f+3 -0.000000 -0.000027 -0.000015 -0.000026 0.000002 0.000001 1Rh 1f-3 -0.000001 0.000036 -0.000009 -0.000018 -0.000015 -0.000015 2C 1s -0.000000 0.000000 0.000000 0.000000 0.000001 -0.000000 2C 2s 0.000001 -0.000002 -0.000002 -0.000001 -0.000007 0.000002 2C 3s 0.000005 -0.000000 -0.000022 -0.000022 -0.000285 0.000021 2C 4s -0.000042 0.000040 0.000241 0.000237 0.001938 -0.000152 2C 5s 0.000401 -0.000205 -0.000100 -0.000203 -0.000957 0.001491 2C 1pz -0.000002 0.000000 -0.000002 -0.000002 -0.000039 -0.000004 2C 1px 0.000001 0.000000 -0.000002 0.000001 -0.000002 -0.000004 2C 1py 0.000003 -0.000002 -0.000001 -0.000001 0.000001 0.000004 2C 2pz -0.000024 0.000055 0.000194 0.000180 0.001137 -0.000061 2C 2px -0.000012 0.000022 0.000035 0.000040 0.000226 -0.000103 2C 2py -0.000038 0.000035 0.000125 0.000120 0.000558 -0.000098 2C 3pz 0.000079 -0.000056 -0.000064 -0.000073 -0.000267 0.000340 2C 3px -0.000007 -0.000060 -0.000023 -0.000059 0.000061 0.000368 2C 3py 0.000029 0.000007 -0.000030 -0.000048 -0.000035 0.000106 2C 1dz2 -0.000004 0.000001 0.000004 0.000004 0.000014 0.000002 2C 1dxz 0.000001 0.000003 0.000003 0.000003 0.000009 -0.000017 2C 1dyz 0.000002 -0.000000 0.000005 0.000005 0.000034 0.000004 2C 1dx2y2 -0.000000 0.000002 -0.000004 -0.000003 -0.000016 -0.000002 2C 1dxy 0.000002 0.000002 0.000001 0.000000 0.000013 -0.000007 2C 2dz2 0.000003 0.000005 0.000037 0.000044 0.000303 0.000025 2C 2dxz 0.000004 -0.000012 0.000026 -0.000002 0.000100 0.000080 2C 2dyz -0.000035 0.000037 0.000060 0.000065 0.000325 -0.000118 2C 2dx2y2 0.000002 -0.000018 -0.000022 -0.000010 -0.000067 0.000038 2C 2dxy -0.000009 0.000008 0.000019 0.000001 0.000071 -0.000006 2C 1f0 0.000002 -0.000004 -0.000001 0.000005 0.000030 0.000016 2C 1f+1 0.000002 -0.000000 0.000007 0.000002 0.000025 -0.000008 2C 1f-1 -0.000000 0.000003 0.000003 0.000004 0.000061 -0.000001 2C 1f+2 0.000002 -0.000001 -0.000002 -0.000005 -0.000027 0.000018 2C 1f-2 -0.000001 -0.000002 0.000004 -0.000003 0.000019 -0.000003 2C 1f+3 -0.000002 -0.000001 0.000002 -0.000000 -0.000002 0.000004 2C 1f-3 -0.000001 0.000002 0.000002 0.000005 0.000002 -0.000016 3C 1s 0.000000 -0.000001 0.000000 0.000000 -0.000001 -0.000000 3C 2s -0.000002 0.000003 -0.000002 -0.000001 0.000004 0.000002 3C 3s -0.000004 -0.000009 -0.000021 -0.000023 0.000161 0.000145 3C 4s 0.000057 -0.000007 0.000244 0.000238 -0.001025 -0.000930 3C 5s -0.000420 0.000187 -0.000124 -0.000130 -0.000426 -0.000436 3C 1pz 0.000004 -0.000003 -0.000001 -0.000001 -0.000005 0.000003 3C 1px -0.000001 0.000000 -0.000002 0.000001 -0.000007 0.000011 3C 1py 0.000002 -0.000001 0.000002 0.000002 -0.000033 -0.000021 3C 2pz 0.000001 -0.000004 0.000112 0.000102 -0.000190 -0.000267 3C 2px 0.000014 -0.000029 0.000070 0.000075 -0.000132 -0.000194 3C 2py -0.000061 0.000046 -0.000193 -0.000182 0.000647 0.000545 3C 3pz -0.000062 0.000010 -0.000028 -0.000008 -0.000036 -0.000023 3C 3px 0.000026 0.000098 -0.000014 -0.000049 -0.000171 -0.000085 3C 3py 0.000088 -0.000022 0.000079 0.000070 0.000110 0.000171 3C 1dz2 0.000003 -0.000001 -0.000000 -0.000000 -0.000003 0.000002 3C 1dxz 0.000001 -0.000000 0.000004 0.000003 -0.000013 -0.000002 3C 1dyz -0.000001 -0.000001 -0.000004 -0.000004 0.000019 0.000018 3C 1dx2y2 -0.000001 -0.000004 -0.000005 -0.000005 -0.000002 0.000010 3C 1dxy 0.000004 0.000003 -0.000004 -0.000004 0.000012 0.000002 3C 2dz2 -0.000023 0.000015 -0.000016 -0.000007 0.000122 0.000080 3C 2dxz -0.000004 0.000002 0.000031 0.000005 -0.000025 -0.000046 3C 2dyz -0.000027 0.000025 -0.000048 -0.000064 0.000130 0.000107 3C 2dx2y2 -0.000003 0.000020 -0.000034 -0.000039 0.000167 0.000148 3C 2dxy -0.000020 -0.000002 -0.000043 -0.000023 0.000079 0.000129 3C 1f0 -0.000000 0.000002 -0.000001 -0.000001 0.000015 0.000021 3C 1f+1 -0.000002 0.000000 0.000001 0.000003 0.000008 0.000008 3C 1f-1 0.000001 -0.000001 0.000001 -0.000002 -0.000013 -0.000013 3C 1f+2 -0.000002 0.000001 0.000001 -0.000004 0.000028 0.000019 3C 1f-2 -0.000001 -0.000001 -0.000005 -0.000002 0.000011 0.000014 3C 1f+3 0.000001 0.000002 0.000008 0.000002 -0.000022 -0.000017 3C 1f-3 0.000001 0.000001 -0.000000 -0.000008 0.000018 0.000014 4C 1s -0.000001 0.000001 0.000001 0.000001 0.000004 0.000000 4C 2s 0.000004 -0.000004 -0.000003 -0.000003 -0.000022 -0.000002 4C 3s -0.000125 0.000118 -0.000026 -0.000031 0.000487 0.000048 4C 4s 0.000573 -0.000521 0.000466 0.000480 -0.001528 -0.000189 4C 5s 0.000247 -0.000272 0.000073 0.000094 0.000357 -0.000987 4C 1pz -0.000003 0.000008 -0.000003 -0.000006 -0.000043 0.000024 4C 1px -0.000012 -0.000009 -0.000002 0.000002 -0.000009 -0.000020 4C 1py -0.000010 0.000005 -0.000002 -0.000002 -0.000040 -0.000003 4C 2pz 0.000007 -0.000098 0.000230 0.000308 0.000981 -0.000190 4C 2px 0.000215 0.000166 0.000142 -0.000098 0.000326 -0.000136 4C 2py 0.000117 -0.000029 0.000188 0.000144 0.000792 -0.000081 4C 3pz 0.000398 -0.000323 -0.000187 -0.000271 -0.000320 0.001145 4C 3px 0.000088 -0.000022 -0.000063 0.000030 -0.000484 0.000147 4C 3py 0.000379 -0.000329 -0.000140 -0.000162 -0.000222 0.000996 4C 1dz2 -0.000009 0.000008 0.000008 0.000010 0.000004 -0.000024 4C 1dxz -0.000005 0.000008 0.000006 0.000000 0.000027 -0.000015 4C 1dyz -0.000004 0.000006 0.000017 0.000017 0.000074 -0.000001 4C 1dx2y2 0.000009 -0.000007 -0.000003 -0.000001 -0.000021 -0.000012 4C 1dxy 0.000001 -0.000004 0.000005 0.000003 0.000005 0.000020 4C 2dz2 -0.000016 -0.000049 -0.000143 -0.000110 -0.000317 0.000265 4C 2dxz 0.000018 0.000058 -0.000106 -0.000144 -0.000099 0.000050 4C 2dyz 0.000045 -0.000077 -0.000147 -0.000139 -0.000767 0.000089 4C 2dx2y2 0.000058 -0.000053 0.000151 0.000135 0.000159 -0.000062 4C 2dxy 0.000108 0.000020 0.000021 -0.000012 -0.000040 -0.000213 4C 1f0 -0.000001 0.000010 0.000008 -0.000015 0.000007 -0.000019 4C 1f+1 -0.000014 0.000008 -0.000018 0.000003 0.000043 0.000005 4C 1f-1 -0.000004 -0.000007 0.000006 0.000002 0.000038 0.000017 4C 1f+2 -0.000005 -0.000017 -0.000003 0.000017 -0.000052 0.000001 4C 1f-2 0.000006 0.000006 -0.000009 0.000012 0.000062 -0.000007 4C 1f+3 -0.000006 -0.000011 -0.000011 0.000017 0.000020 -0.000022 4C 1f-3 -0.000021 0.000000 -0.000011 -0.000002 0.000068 0.000041 5C 1s 0.000001 -0.000001 0.000001 0.000001 -0.000003 -0.000002 5C 2s -0.000005 0.000005 -0.000003 -0.000003 0.000016 0.000015 5C 3s 0.000160 -0.000160 -0.000036 -0.000022 -0.000389 -0.000371 5C 4s -0.000702 0.000702 0.000522 0.000432 0.001430 0.001396 5C 5s -0.000355 0.000428 0.000055 0.000098 0.000281 0.000398 5C 1pz -0.000000 -0.000010 -0.000001 -0.000002 0.000017 0.000010 5C 1px 0.000016 0.000012 -0.000005 0.000001 -0.000012 0.000024 5C 1py -0.000009 0.000015 0.000004 0.000004 -0.000013 -0.000000 5C 2pz 0.000029 0.000143 0.000120 0.000178 -0.000303 -0.000255 5C 2px -0.000266 -0.000232 0.000236 -0.000019 -0.000098 -0.000180 5C 2py 0.000069 -0.000172 -0.000252 -0.000267 0.000361 0.000311 5C 3pz -0.000285 0.000260 -0.000115 -0.000142 -0.000502 -0.000327 5C 3px -0.000246 0.000124 -0.000152 -0.000040 0.000016 -0.000384 5C 3py 0.000602 -0.000537 0.000211 0.000201 0.000361 0.000408 5C 1dz2 0.000006 -0.000005 -0.000005 -0.000003 -0.000030 -0.000007 5C 1dxz 0.000008 -0.000012 0.000004 0.000002 -0.000007 -0.000026 5C 1dyz -0.000006 0.000005 -0.000015 -0.000015 0.000031 0.000028 5C 1dx2y2 -0.000013 0.000014 -0.000006 -0.000009 0.000002 0.000005 5C 1dxy -0.000009 0.000007 -0.000011 -0.000007 0.000030 0.000001 5C 2dz2 0.000076 -0.000037 -0.000042 -0.000021 0.000045 -0.000083 5C 2dxz 0.000011 -0.000054 -0.000105 -0.000114 -0.000044 0.000101 5C 2dyz 0.000069 -0.000133 0.000115 0.000091 -0.000397 -0.000335 5C 2dx2y2 -0.000085 -0.000006 0.000214 0.000171 -0.000037 -0.000001 5C 2dxy 0.000097 0.000073 0.000094 0.000131 -0.000229 -0.000148 5C 1f0 -0.000004 -0.000022 0.000001 -0.000013 0.000018 -0.000016 5C 1f+1 0.000021 0.000003 -0.000012 -0.000002 -0.000070 -0.000043 5C 1f-1 -0.000005 -0.000003 -0.000003 0.000006 -0.000006 0.000012 5C 1f+2 0.000010 0.000005 -0.000016 0.000012 0.000014 0.000049 5C 1f-2 0.000005 0.000023 0.000006 0.000001 0.000062 0.000033 5C 1f+3 0.000019 0.000002 -0.000020 0.000011 -0.000030 -0.000034 5C 1f-3 -0.000013 0.000014 -0.000004 0.000019 0.000016 0.000030 6C 1s -0.000001 0.000001 0.000001 0.000001 -0.000002 -0.000003 6C 2s 0.000005 -0.000005 -0.000003 -0.000003 0.000014 0.000017 6C 3s -0.000156 0.000164 -0.000025 -0.000034 -0.000356 -0.000411 6C 4s 0.000687 -0.000721 0.000463 0.000495 0.001347 0.001510 6C 5s 0.000422 -0.000359 0.000102 0.000048 0.000381 0.000293 6C 1pz 0.000009 0.000000 0.000002 0.000001 -0.000009 -0.000018 6C 1px -0.000011 -0.000017 -0.000001 0.000005 -0.000025 0.000011 6C 1py -0.000015 0.000009 -0.000004 -0.000004 -0.000000 0.000013 6C 2pz -0.000137 -0.000032 -0.000185 -0.000108 0.000239 0.000319 6C 2px 0.000220 0.000282 0.000006 -0.000237 0.000182 0.000106 6C 2py 0.000170 -0.000068 0.000282 0.000236 -0.000294 -0.000382 6C 3pz -0.000248 0.000298 0.000148 0.000107 0.000286 0.000511 6C 3px -0.000121 0.000253 0.000049 0.000150 0.000384 -0.000002 6C 3py 0.000528 -0.000612 -0.000212 -0.000200 -0.000369 -0.000369 6C 1dz2 -0.000005 0.000006 -0.000003 -0.000005 -0.000005 -0.000030 6C 1dxz -0.000012 0.000008 0.000002 0.000004 -0.000026 -0.000008 6C 1dyz 0.000005 -0.000006 -0.000016 -0.000014 0.000026 0.000033 6C 1dx2y2 0.000013 -0.000014 -0.000009 -0.000005 0.000005 0.000002 6C 1dxy 0.000007 -0.000009 -0.000007 -0.000011 0.000000 0.000030 6C 2dz2 -0.000037 0.000080 -0.000023 -0.000040 -0.000087 0.000040 6C 2dxz -0.000050 0.000009 -0.000120 -0.000098 0.000103 -0.000037 6C 2dyz -0.000129 0.000069 0.000097 0.000110 -0.000319 -0.000416 6C 2dx2y2 -0.000003 -0.000088 0.000183 0.000203 0.000000 -0.000038 6C 2dxy 0.000070 0.000101 0.000137 0.000086 -0.000135 -0.000239 6C 1f0 0.000021 0.000005 0.000013 -0.000001 0.000017 -0.000018 6C 1f+1 -0.000003 -0.000022 0.000002 0.000011 0.000039 0.000073 6C 1f-1 0.000003 0.000005 -0.000006 0.000004 -0.000013 0.000006 6C 1f+2 -0.000004 -0.000010 -0.000011 0.000017 -0.000049 -0.000017 6C 1f-2 -0.000022 -0.000006 -0.000001 -0.000006 -0.000031 -0.000064 6C 1f+3 -0.000002 -0.000020 -0.000010 0.000021 0.000033 0.000032 6C 1f-3 -0.000014 0.000013 -0.000019 0.000005 -0.000030 -0.000018 7C 1s 0.000001 -0.000001 0.000001 0.000001 0.000000 0.000004 7C 2s -0.000004 0.000003 -0.000003 -0.000003 -0.000001 -0.000023 7C 3s 0.000128 -0.000115 -0.000033 -0.000025 0.000025 0.000491 7C 4s -0.000564 0.000525 0.000507 0.000439 -0.000118 -0.001542 7C 5s -0.000298 0.000224 0.000099 0.000068 -0.000988 0.000321 7C 1pz -0.000009 0.000002 0.000006 0.000003 -0.000025 0.000042 7C 1px 0.000009 0.000011 -0.000002 0.000002 0.000020 0.000010 7C 1py -0.000006 0.000010 0.000002 0.000002 0.000001 0.000041 7C 2pz 0.000108 -0.000003 -0.000321 -0.000211 0.000230 -0.000978 7C 2px -0.000174 -0.000204 0.000091 -0.000148 0.000152 -0.000322 7C 2py 0.000031 -0.000111 -0.000156 -0.000181 0.000117 -0.000798 7C 3pz 0.000360 -0.000362 0.000284 0.000171 -0.001147 0.000267 7C 3px 0.000027 -0.000079 -0.000027 0.000064 -0.000172 0.000472 7C 3py 0.000351 -0.000357 0.000172 0.000130 -0.000999 0.000176 7C 1dz2 0.000009 -0.000009 0.000010 0.000008 -0.000024 0.000002 7C 1dxz 0.000009 -0.000005 0.000001 0.000006 -0.000016 0.000026 7C 1dyz 0.000007 -0.000003 0.000018 0.000016 -0.000005 0.000074 7C 1dx2y2 -0.000008 0.000009 -0.000001 -0.000003 -0.000011 -0.000022 7C 1dxy -0.000004 0.000001 0.000003 0.000005 0.000020 0.000006 7C 2dz2 -0.000052 -0.000015 -0.000118 -0.000136 0.000280 -0.000304 7C 2dxz 0.000064 0.000017 -0.000150 -0.000097 0.000052 -0.000098 7C 2dyz -0.000082 0.000040 -0.000147 -0.000139 0.000125 -0.000766 7C 2dx2y2 -0.000056 0.000052 0.000144 0.000144 -0.000070 0.000161 7C 2dxy 0.000018 0.000103 -0.000011 0.000022 -0.000212 -0.000053 7C 1f0 -0.000010 0.000001 0.000014 -0.000009 0.000019 -0.000006 7C 1f+1 -0.000008 0.000013 -0.000002 0.000019 -0.000003 -0.000043 7C 1f-1 0.000007 0.000004 -0.000002 -0.000005 -0.000016 -0.000039 7C 1f+2 0.000018 0.000005 -0.000016 0.000004 -0.000003 0.000053 7C 1f-2 -0.000007 -0.000006 -0.000011 0.000010 0.000010 -0.000061 7C 1f+3 0.000012 0.000006 -0.000016 0.000012 0.000023 -0.000019 7C 1f-3 -0.000001 0.000020 0.000002 0.000011 -0.000038 -0.000070 8C 1s -0.000001 0.000000 0.000000 0.000000 -0.000000 -0.000001 8C 2s 0.000003 -0.000002 -0.000002 -0.000002 0.000002 0.000004 8C 3s -0.000009 -0.000004 -0.000025 -0.000020 0.000139 0.000170 8C 4s -0.000006 0.000060 0.000252 0.000229 -0.000889 -0.001081 8C 5s 0.000179 -0.000439 -0.000137 -0.000117 -0.000380 -0.000424 8C 1pz 0.000003 -0.000004 0.000001 0.000000 -0.000003 0.000005 8C 1px -0.000000 0.000001 -0.000000 0.000002 -0.000012 0.000006 8C 1py 0.000001 -0.000001 -0.000002 -0.000001 0.000020 0.000034 8C 2pz 0.000003 -0.000002 -0.000108 -0.000106 0.000260 0.000204 8C 2px 0.000028 -0.000015 -0.000079 -0.000066 0.000190 0.000144 8C 2py -0.000044 0.000062 0.000193 0.000182 -0.000517 -0.000680 8C 3pz -0.000012 0.000063 0.000010 0.000028 0.000017 0.000038 8C 3px -0.000095 -0.000027 0.000050 0.000012 0.000074 0.000174 8C 3py 0.000019 -0.000092 -0.000074 -0.000075 -0.000160 -0.000112 8C 1dz2 -0.000001 0.000003 -0.000000 -0.000000 0.000002 -0.000003 8C 1dxz -0.000000 0.000001 0.000003 0.000003 -0.000001 -0.000013 8C 1dyz -0.000001 -0.000001 -0.000004 -0.000004 0.000017 0.000020 8C 1dx2y2 -0.000004 -0.000002 -0.000006 -0.000005 0.000010 -0.000001 8C 1dxy 0.000003 0.000004 -0.000004 -0.000004 0.000001 0.000012 8C 2dz2 0.000015 -0.000023 -0.000008 -0.000015 0.000075 0.000126 8C 2dxz 0.000003 -0.000004 0.000007 0.000030 -0.000045 -0.000029 8C 2dyz 0.000023 -0.000029 -0.000067 -0.000044 0.000103 0.000137 8C 2dx2y2 0.000021 -0.000003 -0.000041 -0.000032 0.000141 0.000176 8C 2dxy -0.000002 -0.000021 -0.000025 -0.000042 0.000126 0.000086 8C 1f0 -0.000002 0.000000 0.000001 0.000001 -0.000021 -0.000016 8C 1f+1 -0.000000 0.000002 -0.000003 -0.000000 -0.000008 -0.000008 8C 1f-1 0.000001 -0.000001 0.000002 -0.000001 0.000012 0.000014 8C 1f+2 -0.000001 0.000002 0.000004 -0.000001 -0.000017 -0.000029 8C 1f-2 0.000001 0.000001 0.000003 0.000005 -0.000014 -0.000012 8C 1f+3 -0.000002 -0.000001 -0.000003 -0.000008 0.000016 0.000023 8C 1f-3 -0.000001 -0.000001 0.000008 -0.000000 -0.000013 -0.000019 9C 1s 0.000000 -0.000000 0.000000 0.000000 -0.000000 0.000001 9C 2s -0.000002 0.000001 -0.000002 -0.000001 0.000002 -0.000007 9C 3s 0.000001 0.000005 -0.000023 -0.000021 0.000032 -0.000288 9C 4s 0.000040 -0.000038 0.000251 0.000227 -0.000234 0.001947 9C 5s -0.000219 0.000374 -0.000211 -0.000088 0.001499 -0.000906 9C 1pz -0.000000 0.000002 0.000002 0.000002 0.000002 0.000039 9C 1px -0.000000 -0.000000 -0.000001 0.000002 0.000003 0.000002 9C 1py 0.000001 -0.000003 0.000001 0.000001 -0.000004 -0.000001 9C 2pz -0.000056 0.000019 -0.000190 -0.000183 0.000110 -0.001139 9C 2px -0.000025 0.000010 -0.000041 -0.000032 0.000115 -0.000222 9C 2py -0.000038 0.000037 -0.000128 -0.000118 0.000123 -0.000562 9C 3pz 0.000058 -0.000073 0.000077 0.000059 -0.000343 0.000253 9C 3px 0.000066 0.000007 0.000060 0.000019 -0.000370 -0.000075 9C 3py -0.000003 -0.000027 0.000052 0.000028 -0.000111 0.000030 9C 1dz2 0.000001 -0.000003 0.000005 0.000004 0.000001 0.000014 9C 1dxz 0.000003 0.000001 0.000003 0.000003 -0.000017 0.000008 9C 1dyz -0.000000 0.000002 0.000006 0.000005 0.000002 0.000034 9C 1dx2y2 0.000002 -0.000000 -0.000003 -0.000004 -0.000001 -0.000016 9C 1dxy 0.000002 0.000002 0.000000 0.000001 -0.000008 0.000013 9C 2dz2 0.000006 0.000004 0.000046 0.000034 0.000011 0.000304 9C 2dxz -0.000013 0.000004 -0.000001 0.000026 0.000076 0.000104 9C 2dyz 0.000038 -0.000033 0.000069 0.000056 -0.000131 0.000323 9C 2dx2y2 -0.000018 0.000002 -0.000012 -0.000021 0.000041 -0.000068 9C 2dxy 0.000007 -0.000008 0.000003 0.000019 -0.000008 0.000070 9C 1f0 0.000003 -0.000002 -0.000005 0.000001 -0.000015 -0.000030 9C 1f+1 0.000001 -0.000002 -0.000003 -0.000006 0.000009 -0.000024 9C 1f-1 -0.000003 0.000000 -0.000004 -0.000003 0.000004 -0.000062 9C 1f+2 0.000001 -0.000002 0.000006 0.000002 -0.000019 0.000027 9C 1f-2 0.000002 0.000001 0.000002 -0.000004 0.000004 -0.000018 9C 1f+3 0.000001 0.000002 0.000000 -0.000002 -0.000005 0.000002 9C 1f-3 -0.000002 0.000001 -0.000005 -0.000002 0.000016 -0.000002 10H 1s -0.000001 0.000000 -0.000003 -0.000004 -0.000002 0.000013 10H 2s 0.000020 -0.000005 0.000037 -0.000005 -0.000011 0.000076 10H 3s -0.000034 0.000024 -0.000035 0.000009 -0.000016 -0.000274 10H 1pz 0.000002 0.000000 0.000003 -0.000002 -0.000020 0.000006 10H 1px -0.000000 -0.000000 -0.000004 0.000002 0.000008 -0.000023 10H 1py 0.000001 -0.000001 0.000001 -0.000001 -0.000015 0.000003 11H 1s -0.000001 0.000004 0.000002 0.000001 0.000003 -0.000012 11H 2s -0.000012 0.000019 0.000005 0.000021 0.000032 -0.000052 11H 3s -0.000036 -0.000035 -0.000046 -0.000048 -0.000009 0.000157 11H 1pz 0.000001 0.000000 -0.000003 -0.000002 -0.000012 0.000017 11H 1px -0.000003 0.000005 0.000002 0.000004 -0.000002 -0.000016 11H 1py 0.000001 -0.000005 -0.000005 -0.000006 -0.000008 0.000022 12H 1s -0.000001 0.000002 -0.000000 -0.000001 0.000003 -0.000003 12H 2s -0.000014 -0.000014 0.000000 0.000029 -0.000072 0.000029 12H 3s -0.000022 0.000016 -0.000027 -0.000041 0.000226 -0.000076 12H 1pz 0.000001 -0.000001 -0.000004 -0.000005 -0.000023 -0.000001 12H 1px -0.000003 0.000001 0.000001 0.000003 -0.000014 -0.000007 12H 1py -0.000002 -0.000001 -0.000001 0.000003 -0.000039 0.000005 13H 1s 0.000003 -0.000001 -0.000003 -0.000003 -0.000007 -0.000006 13H 2s -0.000033 0.000019 0.000037 -0.000007 0.000034 -0.000003 13H 3s 0.000007 -0.000038 -0.000043 0.000004 0.000095 0.000041 13H 1pz -0.000004 0.000003 0.000003 -0.000003 0.000015 0.000005 13H 1px -0.000001 -0.000001 -0.000004 0.000001 0.000001 0.000005 13H 1py 0.000004 -0.000001 -0.000002 0.000001 -0.000012 -0.000013 14H 1s 0.000001 -0.000007 -0.000001 -0.000001 -0.000005 -0.000002 14H 2s -0.000012 0.000020 -0.000001 0.000028 0.000099 -0.000027 14H 3s 0.000050 0.000038 -0.000019 -0.000041 -0.000146 0.000018 14H 1pz -0.000005 0.000004 -0.000002 0.000000 0.000021 0.000004 14H 1px -0.000001 -0.000001 -0.000000 0.000005 0.000026 0.000004 14H 1py 0.000000 -0.000005 0.000003 0.000003 -0.000015 -0.000008 15H 1s 0.000005 -0.000007 0.000002 0.000002 -0.000002 -0.000000 15H 2s 0.000010 0.000010 0.000003 0.000016 -0.000028 0.000031 15H 3s 0.000009 0.000021 -0.000048 -0.000056 0.000048 -0.000089 15H 1pz -0.000003 0.000003 -0.000006 -0.000007 -0.000003 -0.000010 15H 1px 0.000001 -0.000001 -0.000001 -0.000000 -0.000000 0.000004 15H 1py -0.000001 -0.000002 0.000003 0.000002 0.000006 -0.000001 16H 1s 0.000002 -0.000002 -0.000016 -0.000008 0.000037 -0.000005 16H 2s -0.000047 0.000031 -0.000055 0.000023 -0.000303 0.000032 16H 3s 0.000002 -0.000009 0.000028 0.000010 -0.000140 -0.000063 16H 1pz -0.000005 0.000006 -0.000006 0.000002 -0.000062 0.000003 16H 1px -0.000009 0.000002 -0.000007 -0.000005 0.000040 0.000011 16H 1py 0.000003 0.000000 0.000001 -0.000002 0.000019 0.000001 17H 1s 0.000002 -0.000002 -0.000016 -0.000008 0.000011 -0.000000 17H 2s -0.000046 0.000036 -0.000061 0.000025 -0.000284 0.000029 17H 3s 0.000004 -0.000012 0.000027 0.000010 0.000032 0.000040 17H 1pz 0.000010 -0.000007 0.000009 0.000001 0.000061 -0.000004 17H 1px -0.000005 -0.000002 0.000001 -0.000006 0.000050 -0.000011 17H 1py 0.000003 0.000002 -0.000001 -0.000001 0.000004 0.000002 18H 1s -0.000002 0.000002 -0.000009 -0.000016 -0.000001 0.000013 18H 2s 0.000035 -0.000045 0.000022 -0.000062 0.000045 -0.000283 18H 3s -0.000011 0.000004 0.000011 0.000027 0.000040 0.000039 18H 1pz 0.000007 -0.000010 -0.000002 -0.000009 0.000008 -0.000061 18H 1px 0.000003 0.000005 0.000006 -0.000001 0.000014 -0.000049 18H 1py -0.000001 -0.000003 0.000001 0.000000 -0.000001 -0.000005 19H 1s -0.000002 0.000002 -0.000009 -0.000016 -0.000007 0.000036 19H 2s 0.000033 -0.000045 0.000020 -0.000057 0.000049 -0.000297 19H 3s -0.000010 0.000002 0.000012 0.000027 -0.000055 -0.000147 19H 1pz -0.000006 0.000005 -0.000002 0.000006 -0.000006 0.000062 19H 1px -0.000003 0.000009 0.000005 0.000006 -0.000009 -0.000041 19H 1py -0.000001 -0.000003 0.000002 -0.000001 -0.000000 -0.000019 20H 1s -0.000007 0.000005 0.000002 0.000002 0.000000 -0.000002 20H 2s 0.000011 0.000011 0.000016 0.000002 0.000031 -0.000028 20H 3s 0.000019 0.000011 -0.000059 -0.000044 -0.000096 0.000045 20H 1pz -0.000002 0.000003 0.000008 0.000005 0.000010 0.000003 20H 1px 0.000001 -0.000001 0.000000 0.000001 -0.000004 -0.000000 20H 1py 0.000002 0.000001 -0.000002 -0.000003 0.000001 -0.000006 21H 1s -0.000007 0.000001 -0.000001 -0.000001 -0.000001 -0.000004 21H 2s 0.000019 -0.000010 0.000028 -0.000003 -0.000034 0.000098 21H 3s 0.000038 0.000052 -0.000042 -0.000017 0.000022 -0.000148 21H 1pz -0.000004 0.000005 -0.000000 0.000002 -0.000003 -0.000022 21H 1px 0.000001 0.000001 -0.000005 0.000000 -0.000002 -0.000027 21H 1py 0.000005 -0.000000 -0.000004 -0.000003 0.000007 0.000016 22H 1s -0.000001 0.000003 -0.000004 -0.000003 -0.000006 -0.000007 22H 2s 0.000019 -0.000034 -0.000005 0.000038 -0.000006 0.000034 22H 3s -0.000036 0.000009 0.000002 -0.000043 0.000034 0.000094 22H 1pz -0.000003 0.000004 0.000002 -0.000003 -0.000004 -0.000016 22H 1px 0.000001 0.000001 -0.000001 0.000004 -0.000006 -0.000001 22H 1py 0.000001 -0.000004 -0.000001 0.000002 0.000012 0.000013 23H 1s 0.000003 -0.000001 -0.000001 0.000000 -0.000004 0.000002 23H 2s -0.000014 -0.000014 0.000029 -0.000001 0.000034 -0.000069 23H 3s 0.000012 -0.000019 -0.000042 -0.000025 -0.000077 0.000226 23H 1pz 0.000001 -0.000001 0.000005 0.000004 -0.000000 0.000023 23H 1px -0.000001 0.000003 -0.000003 -0.000001 0.000007 0.000014 23H 1py 0.000001 0.000003 -0.000003 0.000002 -0.000007 0.000039 24H 1s 0.000005 -0.000001 0.000001 0.000001 -0.000012 0.000002 24H 2s 0.000018 -0.000010 0.000022 0.000004 -0.000051 0.000030 24H 3s -0.000036 -0.000037 -0.000050 -0.000043 0.000164 0.000000 24H 1pz -0.000000 -0.000001 0.000002 0.000003 -0.000018 0.000011 24H 1px -0.000005 0.000002 -0.000004 -0.000002 0.000016 0.000003 24H 1py 0.000005 -0.000001 0.000006 0.000005 -0.000022 0.000008 25H 1s 0.000000 -0.000001 -0.000004 -0.000003 0.000013 -0.000002 25H 2s -0.000007 0.000018 -0.000003 0.000037 0.000079 -0.000007 25H 3s 0.000027 -0.000032 0.000008 -0.000036 -0.000274 -0.000025 25H 1pz 0.000000 -0.000002 0.000002 -0.000003 -0.000007 0.000019 25H 1px 0.000000 0.000000 -0.000002 0.000004 0.000023 -0.000007 25H 1py 0.000002 -0.000001 0.000001 -0.000001 -0.000003 0.000014 26O 1s 0.000000 -0.000000 0.000000 -0.000000 0.000000 -0.000001 26O 2s -0.000006 0.000000 -0.000004 0.000002 -0.000000 0.000009 26O 3s 0.000047 -0.000005 0.000051 -0.000014 0.000052 -0.000113 26O 4s -0.000067 0.000001 -0.000208 0.000022 0.000050 0.000525 26O 5s -0.000537 0.000127 -0.000062 -0.000156 -0.001306 -0.000694 26O 1pz 0.000017 -0.000001 -0.000007 -0.000004 0.000013 0.000015 26O 1px -0.000001 -0.000001 0.000005 0.000001 -0.000017 0.000002 26O 1py -0.000003 0.000002 -0.000002 -0.000002 0.000018 -0.000014 26O 2pz -0.000009 0.000011 0.000034 0.000031 -0.000198 -0.000065 26O 2px 0.000088 0.000003 0.000028 0.000001 -0.000020 -0.000118 26O 2py 0.000073 -0.000008 0.000034 0.000018 -0.000161 0.000028 26O 3pz -0.000055 -0.000038 0.000171 0.000102 -0.000461 -0.000312 26O 3px 0.000332 -0.000110 0.000406 0.000241 0.000206 -0.000037 26O 3py -0.000090 -0.000005 0.000241 0.000154 -0.000761 -0.000263 26O 1dz2 0.000014 0.000003 -0.000006 -0.000000 -0.000038 0.000008 26O 1dxz 0.000004 0.000000 0.000008 -0.000004 -0.000019 -0.000008 26O 1dyz 0.000020 0.000001 -0.000002 0.000001 0.000012 -0.000001 26O 1dx2y2 0.000003 0.000000 0.000000 0.000004 -0.000008 -0.000002 26O 1dxy 0.000004 -0.000002 0.000006 0.000000 -0.000003 -0.000003 26O 2dz2 -0.000026 -0.000012 0.000029 0.000009 0.000071 -0.000045 26O 2dxz -0.000018 -0.000007 -0.000044 0.000009 0.000049 0.000053 26O 2dyz -0.000072 -0.000003 -0.000003 0.000003 -0.000172 0.000008 26O 2dx2y2 -0.000031 0.000003 -0.000006 -0.000017 0.000106 0.000039 26O 2dxy -0.000036 0.000007 -0.000039 -0.000006 0.000008 0.000015 26O 1f0 -0.000008 -0.000002 -0.000003 0.000000 0.000018 -0.000001 26O 1f+1 -0.000008 0.000002 -0.000004 0.000001 0.000014 0.000001 26O 1f-1 -0.000018 -0.000000 0.000002 -0.000002 0.000007 -0.000003 26O 1f+2 0.000007 0.000001 0.000005 -0.000000 0.000019 -0.000003 26O 1f-2 -0.000007 0.000002 0.000001 -0.000000 0.000004 0.000003 26O 1f+3 -0.000006 0.000002 0.000003 -0.000001 -0.000004 0.000011 26O 1f-3 -0.000002 0.000001 -0.000003 0.000001 -0.000007 -0.000004 27O 1s -0.000000 0.000000 0.000000 -0.000000 -0.000000 0.000001 27O 2s 0.000007 -0.000000 -0.000004 0.000001 0.000002 -0.000008 27O 3s -0.000055 0.000004 0.000048 -0.000012 -0.000045 0.000095 27O 4s 0.000070 0.000005 -0.000193 0.000011 -0.000026 -0.000297 27O 5s 0.000667 -0.000150 -0.000206 -0.000178 0.000317 0.000082 27O 1pz -0.000017 0.000000 -0.000005 -0.000002 -0.000020 0.000024 27O 1px 0.000002 0.000001 0.000002 -0.000001 -0.000012 -0.000005 27O 1py 0.000009 0.000002 0.000006 0.000004 0.000001 0.000001 27O 2pz 0.000032 -0.000009 0.000022 0.000017 0.000105 -0.000125 27O 2px -0.000130 -0.000004 0.000061 0.000016 0.000180 0.000113 27O 2py 0.000046 -0.000002 -0.000045 -0.000033 -0.000139 -0.000023 27O 3pz 0.000054 0.000028 0.000004 0.000023 0.000732 0.000181 27O 3px -0.000314 0.000123 0.000440 0.000270 0.000344 0.000054 27O 3py -0.000200 -0.000015 -0.000169 -0.000113 -0.000187 0.000093 27O 1dz2 0.000006 -0.000002 -0.000002 -0.000001 -0.000032 -0.000004 27O 1dxz -0.000007 -0.000001 0.000005 -0.000004 0.000001 -0.000002 27O 1dyz 0.000028 0.000003 0.000005 -0.000003 0.000017 -0.000003 27O 1dx2y2 0.000008 0.000002 0.000006 0.000002 -0.000035 -0.000007 27O 1dxy 0.000010 -0.000001 -0.000008 0.000003 0.000009 0.000003 27O 2dz2 -0.000043 0.000007 0.000023 0.000008 0.000145 0.000032 27O 2dxz 0.000019 0.000010 -0.000022 0.000013 0.000038 0.000036 27O 2dyz -0.000092 -0.000009 -0.000013 0.000001 -0.000139 0.000014 27O 2dx2y2 0.000008 -0.000012 -0.000037 -0.000017 0.000057 -0.000005 27O 2dxy -0.000047 -0.000001 0.000050 -0.000006 -0.000065 -0.000002 27O 1f0 -0.000012 0.000001 -0.000005 0.000002 -0.000002 0.000007 27O 1f+1 0.000005 -0.000000 -0.000003 0.000001 0.000001 -0.000002 27O 1f-1 -0.000008 -0.000002 0.000000 0.000001 -0.000027 -0.000001 27O 1f+2 -0.000015 -0.000003 0.000000 0.000001 0.000006 -0.000008 27O 1f-2 -0.000014 0.000001 0.000004 -0.000001 -0.000012 0.000001 27O 1f+3 0.000016 -0.000003 -0.000002 0.000000 -0.000008 -0.000002 27O 1f-3 -0.000004 -0.000003 0.000006 -0.000000 0.000023 -0.000001 28O 1s 0.000000 -0.000000 -0.000000 0.000000 -0.000001 0.000000 28O 2s -0.000000 0.000005 0.000001 -0.000004 0.000009 -0.000003 28O 3s 0.000003 -0.000040 -0.000007 0.000046 -0.000102 0.000078 28O 4s 0.000001 0.000050 -0.000010 -0.000186 0.000225 -0.000050 28O 5s -0.000149 0.000451 -0.000206 -0.000220 0.000156 -0.000865 28O 1pz 0.000000 -0.000013 -0.000004 -0.000003 0.000002 0.000001 28O 1px 0.000000 -0.000010 -0.000001 -0.000005 -0.000023 -0.000008 28O 1py -0.000002 0.000002 -0.000003 -0.000004 -0.000032 0.000016 28O 2pz -0.000005 -0.000040 0.000042 0.000064 -0.000050 -0.000131 28O 2px -0.000008 0.000086 -0.000007 -0.000035 0.000170 -0.000017 28O 2py 0.000010 -0.000040 0.000023 0.000025 0.000153 -0.000125 28O 3pz 0.000098 -0.000094 0.000235 0.000316 0.000340 -0.000815 28O 3px -0.000060 0.000192 -0.000205 -0.000307 -0.000089 0.000082 28O 3py -0.000022 0.000207 0.000067 0.000094 0.000133 -0.000961 28O 1dz2 -0.000001 -0.000014 -0.000003 0.000005 0.000005 -0.000024 28O 1dxz -0.000003 -0.000003 -0.000001 -0.000009 -0.000011 -0.000031 28O 1dyz 0.000000 -0.000017 0.000000 -0.000000 -0.000004 0.000015 28O 1dx2y2 0.000000 -0.000001 0.000004 -0.000000 0.000004 -0.000015 28O 1dxy -0.000002 -0.000009 0.000003 -0.000007 -0.000013 -0.000002 28O 2dz2 0.000009 0.000047 0.000008 -0.000031 -0.000022 0.000047 28O 2dxz 0.000011 -0.000017 0.000015 0.000054 0.000012 0.000111 28O 2dyz 0.000000 0.000058 0.000002 -0.000009 0.000005 -0.000160 28O 2dx2y2 -0.000006 0.000017 -0.000018 -0.000005 0.000020 0.000096 28O 2dxy 0.000005 0.000029 -0.000005 0.000033 0.000088 -0.000002 28O 1f0 -0.000001 0.000007 0.000001 -0.000002 -0.000001 0.000012 28O 1f+1 0.000002 0.000008 0.000000 -0.000006 -0.000001 0.000029 28O 1f-1 -0.000001 0.000017 -0.000001 0.000001 -0.000001 -0.000004 28O 1f+2 0.000002 -0.000007 -0.000000 0.000002 -0.000007 0.000017 28O 1f-2 0.000002 0.000005 -0.000001 0.000000 -0.000011 0.000028 28O 1f+3 0.000001 -0.000000 -0.000001 -0.000001 -0.000008 0.000010 28O 1f-3 0.000000 -0.000002 0.000001 -0.000006 -0.000011 -0.000004 29O 1s 0.000000 -0.000000 0.000001 0.000000 -0.000000 0.000000 29O 2s -0.000001 0.000000 -0.000012 -0.000003 -0.000000 -0.000001 29O 3s 0.000010 -0.000000 0.000089 0.000019 -0.000010 0.000012 29O 4s -0.000041 0.000008 -0.000340 -0.000047 -0.000090 -0.000030 29O 5s 0.000135 -0.000068 0.000918 0.000096 0.000720 0.000006 29O 1pz 0.000001 -0.000000 0.000005 0.000003 -0.000002 0.000001 29O 1px -0.000002 0.000001 -0.000013 -0.000007 0.000020 -0.000001 29O 1py -0.000004 0.000001 0.000004 0.000000 0.000019 0.000002 29O 2pz -0.000003 0.000003 -0.000013 -0.000007 0.000007 -0.000004 29O 2px 0.000008 -0.000009 0.000031 0.000015 -0.000022 -0.000003 29O 2py 0.000016 -0.000002 -0.000020 -0.000000 -0.000096 -0.000003 29O 3pz -0.000009 -0.000002 0.000114 0.000011 -0.000065 0.000018 29O 3px 0.000001 0.000006 -0.000334 -0.000028 -0.000084 -0.000009 29O 3py -0.000126 0.000058 -0.000085 0.000017 -0.000238 0.000059 29O 1dz2 -0.000000 0.000000 -0.000006 -0.000003 0.000025 -0.000001 29O 1dxz -0.000001 0.000000 -0.000007 -0.000004 -0.000007 -0.000002 29O 1dyz 0.000001 -0.000000 -0.000001 -0.000001 0.000005 -0.000001 29O 1dx2y2 0.000001 -0.000000 0.000008 0.000006 -0.000003 0.000000 29O 1dxy -0.000001 0.000001 0.000006 0.000002 -0.000014 -0.000000 29O 2dz2 -0.000000 -0.000002 0.000014 0.000008 -0.000071 0.000002 29O 2dxz 0.000002 -0.000002 0.000011 0.000013 0.000034 0.000003 29O 2dyz -0.000001 0.000001 0.000003 0.000003 -0.000014 0.000006 29O 2dx2y2 -0.000005 0.000001 -0.000007 -0.000020 0.000016 -0.000002 29O 2dxy 0.000005 0.000000 -0.000017 -0.000008 0.000029 0.000004 29O 1f0 -0.000000 0.000001 0.000001 0.000001 -0.000010 0.000001 29O 1f+1 0.000000 -0.000000 -0.000002 -0.000001 0.000013 -0.000001 29O 1f-1 0.000000 0.000001 -0.000005 -0.000000 -0.000004 0.000001 29O 1f+2 0.000001 -0.000001 -0.000005 -0.000002 -0.000001 -0.000001 29O 1f-2 0.000000 0.000000 -0.000005 -0.000001 -0.000002 -0.000000 29O 1f+3 0.000001 -0.000001 -0.000006 -0.000004 0.000007 -0.000002 29O 1f-3 0.000000 -0.000000 -0.000002 -0.000001 0.000012 0.000001 30O 1s -0.000000 0.000000 -0.000000 0.000000 0.000001 -0.000000 30O 2s 0.000001 -0.000008 0.000001 -0.000004 -0.000008 0.000000 30O 3s -0.000008 0.000061 -0.000009 0.000050 0.000094 -0.000027 30O 4s 0.000005 -0.000081 0.000001 -0.000201 -0.000263 -0.000077 30O 5s 0.000205 -0.000684 -0.000188 -0.000092 0.000003 0.000533 30O 1pz -0.000001 0.000013 -0.000002 -0.000001 0.000018 -0.000014 30O 1px -0.000000 0.000014 -0.000002 -0.000007 0.000021 -0.000000 30O 1py -0.000001 -0.000007 0.000003 0.000003 0.000004 0.000002 30O 2pz 0.000005 0.000044 0.000022 0.000031 -0.000046 0.000136 30O 2px 0.000010 -0.000104 0.000008 -0.000012 -0.000154 -0.000025 30O 2py 0.000006 -0.000086 -0.000034 -0.000043 -0.000052 -0.000154 30O 3pz -0.000104 0.000166 0.000189 0.000286 -0.000120 0.000666 30O 3px 0.000099 -0.000373 -0.000168 -0.000236 -0.000026 0.000166 30O 3py 0.000059 0.000065 -0.000219 -0.000314 -0.000022 -0.000511 30O 1dz2 0.000001 -0.000005 -0.000003 0.000003 -0.000000 -0.000026 30O 1dxz 0.000002 0.000005 -0.000002 -0.000005 0.000014 0.000003 30O 1dyz -0.000001 -0.000028 -0.000001 -0.000002 -0.000006 0.000019 30O 1dx2y2 0.000000 -0.000007 0.000005 -0.000006 0.000007 -0.000024 30O 1dxy -0.000003 -0.000015 -0.000000 0.000009 -0.000001 -0.000008 30O 2dz2 -0.000008 0.000026 0.000007 -0.000011 0.000040 0.000118 30O 2dxz -0.000011 0.000013 0.000014 0.000028 -0.000045 0.000045 30O 2dyz 0.000002 0.000113 0.000004 0.000026 0.000034 -0.000136 30O 2dx2y2 0.000006 0.000014 -0.000015 0.000027 -0.000043 0.000043 30O 2dxy 0.000013 0.000023 -0.000011 -0.000045 -0.000026 -0.000036 30O 1f0 0.000001 0.000011 0.000001 -0.000002 -0.000005 0.000003 30O 1f+1 -0.000001 -0.000004 0.000001 -0.000005 0.000013 0.000001 30O 1f-1 -0.000001 0.000007 -0.000000 -0.000000 0.000011 -0.000028 30O 1f+2 -0.000003 0.000018 0.000001 -0.000003 0.000001 -0.000008 30O 1f-2 0.000001 0.000019 0.000001 0.000001 0.000000 0.000006 30O 1f+3 -0.000002 -0.000011 0.000000 -0.000005 0.000002 -0.000009 30O 1f-3 -0.000003 0.000007 -0.000001 0.000004 0.000005 0.000014 31O 1s 0.000000 -0.000000 0.000000 -0.000000 -0.000000 0.000001 31O 2s -0.000008 0.000001 -0.000004 0.000002 0.000001 -0.000008 31O 3s 0.000059 -0.000007 0.000049 -0.000012 -0.000031 0.000092 31O 4s -0.000079 0.000004 -0.000201 0.000013 -0.000068 -0.000265 31O 5s -0.000662 0.000201 -0.000104 -0.000180 0.000521 0.000029 31O 1pz -0.000013 0.000000 0.000001 0.000002 0.000015 -0.000017 31O 1px -0.000014 -0.000000 0.000007 0.000002 0.000001 -0.000021 31O 1py 0.000007 0.000002 -0.000003 -0.000003 -0.000002 -0.000004 31O 2pz -0.000040 -0.000005 -0.000033 -0.000020 -0.000140 0.000038 31O 2px 0.000101 -0.000008 0.000012 -0.000009 0.000018 0.000155 31O 2py 0.000085 -0.000004 0.000045 0.000032 0.000153 0.000060 31O 3pz -0.000172 0.000102 -0.000298 -0.000171 -0.000680 0.000087 31O 3px 0.000359 -0.000097 0.000246 0.000153 -0.000162 0.000017 31O 3py -0.000067 -0.000066 0.000327 0.000200 0.000517 0.000049 31O 1dz2 -0.000005 0.000001 0.000003 -0.000003 -0.000026 -0.000002 31O 1dxz 0.000005 0.000002 -0.000005 -0.000001 0.000002 0.000014 31O 1dyz -0.000027 -0.000001 -0.000002 -0.000001 0.000019 -0.000005 31O 1dx2y2 -0.000007 0.000000 -0.000005 0.000005 -0.000025 0.000006 31O 1dxy -0.000015 -0.000004 0.000009 -0.000001 -0.000008 -0.000002 31O 2dz2 0.000024 -0.000008 -0.000011 0.000008 0.000116 0.000046 31O 2dxz 0.000013 -0.000011 0.000029 0.000012 0.000050 -0.000043 31O 2dyz 0.000109 0.000004 0.000026 0.000003 -0.000137 0.000026 31O 2dx2y2 0.000013 0.000007 0.000026 -0.000017 0.000045 -0.000041 31O 2dxy 0.000023 0.000014 -0.000046 -0.000008 -0.000036 -0.000028 31O 1f0 -0.000011 -0.000001 0.000002 -0.000002 -0.000003 0.000005 31O 1f+1 0.000004 0.000001 0.000005 -0.000001 -0.000000 -0.000013 31O 1f-1 -0.000007 0.000001 0.000001 0.000000 0.000029 -0.000010 31O 1f+2 -0.000017 0.000003 0.000002 -0.000001 0.000008 -0.000000 31O 1f-2 -0.000018 -0.000001 -0.000001 -0.000001 -0.000006 -0.000000 31O 1f+3 0.000010 0.000002 0.000005 -0.000000 0.000009 -0.000001 31O 1f-3 -0.000007 0.000003 -0.000004 0.000001 -0.000014 -0.000006 32O 1s -0.000000 0.000000 0.000000 0.000001 0.000000 -0.000000 32O 2s 0.000000 -0.000001 -0.000003 -0.000012 -0.000001 -0.000000 32O 3s -0.000001 0.000010 0.000024 0.000088 0.000013 -0.000009 32O 4s 0.000009 -0.000040 -0.000067 -0.000338 -0.000025 -0.000091 32O 5s -0.000071 0.000129 0.000150 0.000911 -0.000033 0.000714 32O 1pz 0.000000 -0.000001 -0.000003 -0.000005 -0.000001 0.000002 32O 1px -0.000001 0.000002 0.000007 0.000013 0.000002 -0.000020 32O 1py -0.000001 0.000004 -0.000001 -0.000004 -0.000001 -0.000019 32O 2pz -0.000003 0.000004 0.000007 0.000013 0.000004 -0.000010 32O 2px 0.000009 -0.000007 -0.000016 -0.000031 0.000002 0.000021 32O 2py 0.000002 -0.000016 0.000001 0.000020 -0.000002 0.000096 32O 3pz -0.000000 0.000004 -0.000018 -0.000113 -0.000020 0.000063 32O 3px -0.000007 -0.000003 0.000048 0.000333 0.000005 0.000082 32O 3py -0.000060 0.000124 -0.000013 0.000086 -0.000070 0.000234 32O 1dz2 0.000000 -0.000000 -0.000003 -0.000006 -0.000002 0.000025 32O 1dxz 0.000000 -0.000001 -0.000005 -0.000007 -0.000001 -0.000007 32O 1dyz -0.000000 0.000001 -0.000001 -0.000001 -0.000001 0.000005 32O 1dx2y2 -0.000000 0.000001 0.000007 0.000007 0.000001 -0.000003 32O 1dxy 0.000001 -0.000001 0.000003 0.000006 0.000000 -0.000014 32O 2dz2 -0.000002 -0.000000 0.000009 0.000013 0.000006 -0.000071 32O 2dxz -0.000002 0.000001 0.000013 0.000010 0.000001 0.000036 32O 2dyz 0.000001 -0.000002 0.000004 0.000003 0.000007 -0.000013 32O 2dx2y2 0.000001 -0.000005 -0.000020 -0.000006 -0.000003 0.000015 32O 2dxy -0.000000 0.000005 -0.000009 -0.000016 0.000003 0.000030 32O 1f0 -0.000001 0.000000 -0.000001 -0.000001 -0.000002 0.000009 32O 1f+1 0.000000 -0.000000 0.000001 0.000002 0.000002 -0.000013 32O 1f-1 -0.000001 -0.000000 0.000000 0.000005 -0.000001 0.000004 32O 1f+2 0.000001 -0.000001 0.000003 0.000005 0.000001 0.000000 32O 1f-2 -0.000000 -0.000000 0.000001 0.000005 0.000000 0.000002 32O 1f+3 0.000001 -0.000001 0.000004 0.000006 0.000002 -0.000006 32O 1f-3 0.000000 -0.000000 0.000001 0.000002 -0.000000 -0.000012 33O 1s -0.000000 0.000000 0.000000 -0.000000 0.000000 -0.000001 33O 2s 0.000006 -0.000000 -0.000003 0.000001 -0.000003 0.000009 33O 3s -0.000043 0.000002 0.000046 -0.000010 0.000084 -0.000097 33O 4s 0.000054 0.000002 -0.000186 0.000001 -0.000063 0.000218 33O 5s 0.000488 -0.000130 -0.000233 -0.000194 -0.000880 0.000113 33O 1pz 0.000013 -0.000000 0.000004 0.000003 -0.000001 -0.000002 33O 1px 0.000011 -0.000000 0.000005 0.000000 0.000006 0.000024 33O 1py -0.000001 0.000002 0.000004 0.000002 -0.000018 0.000032 33O 2pz 0.000045 0.000006 -0.000066 -0.000038 0.000129 0.000056 33O 2px -0.000092 0.000006 0.000035 0.000005 0.000027 -0.000169 33O 2py 0.000040 -0.000009 -0.000026 -0.000022 0.000133 -0.000146 33O 3pz 0.000093 -0.000091 -0.000328 -0.000215 0.000839 -0.000297 33O 3px -0.000212 0.000050 0.000318 0.000187 -0.000083 0.000085 33O 3py -0.000210 0.000021 -0.000098 -0.000062 0.000970 -0.000081 33O 1dz2 -0.000014 -0.000002 0.000005 -0.000003 -0.000025 0.000003 33O 1dxz -0.000004 -0.000003 -0.000009 -0.000000 -0.000031 -0.000013 33O 1dyz -0.000018 -0.000000 -0.000000 0.000000 0.000015 -0.000003 33O 1dx2y2 -0.000001 0.000000 -0.000000 0.000004 -0.000015 0.000003 33O 1dxy -0.000009 -0.000002 -0.000007 0.000004 -0.000001 -0.000013 33O 2dz2 0.000048 0.000010 -0.000031 0.000010 0.000048 -0.000019 33O 2dxz -0.000018 0.000010 0.000055 0.000012 0.000109 0.000018 33O 2dyz 0.000063 0.000001 -0.000009 0.000003 -0.000161 -0.000003 33O 2dx2y2 0.000018 -0.000005 -0.000006 -0.000018 0.000094 0.000025 33O 2dxy 0.000030 0.000005 0.000033 -0.000007 -0.000007 0.000088 33O 1f0 -0.000007 0.000001 0.000002 -0.000001 -0.000012 -0.000000 33O 1f+1 -0.000008 -0.000002 0.000006 -0.000001 -0.000028 -0.000001 33O 1f-1 -0.000018 0.000000 -0.000001 0.000001 0.000004 0.000002 33O 1f+2 0.000009 -0.000002 -0.000002 0.000000 -0.000018 0.000006 33O 1f-2 -0.000005 -0.000002 -0.000000 0.000001 -0.000028 0.000009 33O 1f+3 0.000000 -0.000001 0.000001 0.000001 -0.000011 0.000008 33O 1f-3 0.000001 -0.000000 0.000006 -0.000001 0.000004 0.000011 34O 1s 0.000000 -0.000000 -0.000000 0.000000 0.000001 -0.000000 34O 2s -0.000000 0.000008 0.000001 -0.000004 -0.000008 0.000002 34O 3s 0.000005 -0.000057 -0.000009 0.000048 0.000097 -0.000039 34O 4s 0.000004 0.000073 -0.000001 -0.000194 -0.000294 -0.000045 34O 5s -0.000155 0.000692 -0.000191 -0.000194 0.000054 0.000321 34O 1pz -0.000001 0.000017 0.000002 0.000005 -0.000026 0.000018 34O 1px -0.000001 -0.000002 0.000001 -0.000002 0.000005 0.000013 34O 1py -0.000002 -0.000010 -0.000004 -0.000006 -0.000000 -0.000001 34O 2pz 0.000010 -0.000031 -0.000018 -0.000021 0.000131 -0.000098 34O 2px 0.000001 0.000136 -0.000020 -0.000060 -0.000105 -0.000186 34O 2py 0.000003 -0.000046 0.000035 0.000043 0.000015 0.000141 34O 3pz -0.000029 -0.000067 -0.000023 -0.000003 -0.000136 -0.000741 34O 3px -0.000123 0.000324 -0.000296 -0.000424 -0.000037 -0.000349 34O 3py 0.000009 0.000200 0.000123 0.000163 -0.000106 0.000180 34O 1dz2 -0.000002 0.000006 -0.000002 -0.000002 -0.000002 -0.000032 34O 1dxz -0.000001 -0.000007 -0.000004 0.000005 -0.000002 0.000001 34O 1dyz 0.000002 0.000029 -0.000002 0.000005 -0.000004 0.000016 34O 1dx2y2 0.000002 0.000008 0.000003 0.000006 -0.000005 -0.000036 34O 1dxy -0.000001 0.000011 0.000003 -0.000008 0.000003 0.000009 34O 2dz2 0.000008 -0.000045 0.000009 0.000022 0.000024 0.000147 34O 2dxz 0.000009 0.000018 0.000011 -0.000023 0.000034 0.000040 34O 2dyz -0.000008 -0.000096 0.000000 -0.000013 0.000023 -0.000138 34O 2dx2y2 -0.000011 0.000008 -0.000019 -0.000036 -0.000009 0.000056 34O 2dxy 0.000000 -0.000049 -0.000003 0.000050 0.000001 -0.000065 34O 1f0 -0.000002 0.000012 -0.000002 0.000005 -0.000007 0.000002 34O 1f+1 0.000000 -0.000005 -0.000001 0.000003 0.000002 -0.000001 34O 1f-1 0.000002 0.000008 -0.000001 -0.000000 -0.000000 0.000027 34O 1f+2 0.000002 0.000015 -0.000001 -0.000000 0.000008 -0.000005 34O 1f-2 -0.000001 0.000014 0.000000 -0.000004 -0.000002 0.000012 34O 1f+3 0.000003 -0.000016 -0.000000 0.000002 0.000001 0.000008 34O 1f-3 0.000002 0.000004 0.000000 -0.000006 0.000002 -0.000022 35O 1s -0.000000 0.000000 -0.000000 0.000000 -0.000001 0.000000 35O 2s 0.000001 -0.000006 0.000001 -0.000004 0.000009 0.000000 35O 3s -0.000006 0.000044 -0.000011 0.000051 -0.000116 0.000045 35O 4s 0.000001 -0.000063 0.000011 -0.000209 0.000523 0.000078 35O 5s 0.000144 -0.000500 -0.000158 -0.000055 -0.000620 -0.001346 35O 1pz 0.000001 -0.000016 0.000004 0.000006 -0.000014 -0.000014 35O 1px 0.000001 0.000001 -0.000001 -0.000005 -0.000003 0.000017 35O 1py -0.000002 0.000003 0.000002 0.000002 0.000015 -0.000017 35O 2pz -0.000011 0.000010 -0.000033 -0.000032 0.000054 0.000200 35O 2px -0.000001 -0.000081 -0.000003 -0.000029 0.000118 0.000025 35O 2py 0.000008 -0.000071 -0.000020 -0.000033 -0.000036 0.000158 35O 3pz 0.000037 0.000043 -0.000112 -0.000164 0.000282 0.000472 35O 3px 0.000121 -0.000314 -0.000264 -0.000392 0.000045 -0.000210 35O 3py 0.000007 0.000096 -0.000168 -0.000232 0.000220 0.000766 35O 1dz2 0.000003 0.000013 -0.000001 -0.000006 0.000010 -0.000038 35O 1dxz 0.000000 0.000004 -0.000004 0.000009 -0.000007 -0.000019 35O 1dyz 0.000000 0.000019 0.000001 -0.000002 -0.000002 0.000011 35O 1dx2y2 0.000000 0.000003 0.000004 -0.000000 -0.000002 -0.000009 35O 1dxy -0.000002 0.000004 0.000001 0.000006 -0.000003 -0.000003 35O 2dz2 -0.000012 -0.000026 0.000010 0.000028 -0.000048 0.000068 35O 2dxz -0.000007 -0.000018 0.000006 -0.000044 0.000050 0.000052 35O 2dyz -0.000002 -0.000067 0.000002 -0.000003 0.000018 -0.000170 35O 2dx2y2 0.000004 -0.000031 -0.000017 -0.000006 0.000033 0.000108 35O 2dxy 0.000008 -0.000032 -0.000008 -0.000038 0.000015 0.000008 35O 1f0 0.000002 0.000009 -0.000000 0.000003 0.000002 -0.000018 35O 1f+1 -0.000002 0.000007 -0.000001 0.000004 -0.000000 -0.000014 35O 1f-1 -0.000000 0.000017 0.000002 -0.000002 0.000003 -0.000007 35O 1f+2 -0.000001 -0.000006 0.000000 -0.000005 0.000004 -0.000019 35O 1f-2 -0.000002 0.000006 0.000000 -0.000001 -0.000003 -0.000005 35O 1f+3 -0.000002 0.000005 0.000000 -0.000003 -0.000011 0.000003 35O 1f-3 -0.000001 0.000002 -0.000001 0.000003 0.000004 0.000007 30 31 32 33 34 35 -11.34008 -11.34004 -11.33938 -11.33938 -11.33784 -11.33781 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s 0.000017 -0.000000 -0.000017 0.000001 -0.000019 -0.000001 0Rh 2s -0.000086 -0.000008 0.000093 0.000004 0.000099 -0.000007 0Rh 3s 0.000030 -0.000008 -0.000025 0.000008 -0.000034 -0.000010 0Rh 4s 0.000190 0.000034 -0.000215 -0.000024 -0.000220 0.000037 0Rh 5s -0.000145 -0.000093 0.000182 0.000076 0.000171 -0.000109 0Rh 6s 0.000146 0.000220 -0.000188 -0.000189 -0.000181 0.000264 0Rh 7s -0.000604 -0.000859 0.000884 0.000909 0.000732 -0.001005 0Rh 8s 0.000442 -0.000200 -0.001233 0.000204 -0.000469 -0.000313 0Rh 1pz 0.000048 0.000001 -0.000003 0.000001 -0.000094 0.000002 0Rh 1px -0.000043 0.000002 0.000030 -0.000003 0.000045 0.000004 0Rh 1py -0.000016 -0.000000 0.000097 0.000002 0.000017 0.000001 0Rh 2pz -0.000119 -0.000004 0.000011 -0.000005 0.000226 -0.000012 0Rh 2px 0.000117 -0.000012 -0.000082 0.000013 -0.000125 -0.000020 0Rh 2py 0.000040 0.000001 -0.000230 -0.000016 -0.000043 -0.000003 0Rh 3pz -0.000030 0.000015 -0.000028 0.000034 0.000110 0.000076 0Rh 3px -0.000079 0.000087 0.000063 -0.000080 0.000114 0.000124 0Rh 3py 0.000015 0.000002 -0.000148 0.000119 0.000016 0.000015 0Rh 4pz 0.000071 -0.000016 0.000035 -0.000090 -0.000237 -0.000152 0Rh 4px 0.000098 -0.000250 -0.000071 0.000226 -0.000153 -0.000341 0Rh 4py -0.000042 -0.000013 0.000297 -0.000260 -0.000016 -0.000045 0Rh 5pz -0.000136 -0.000030 -0.000040 0.000113 0.000419 0.000083 0Rh 5px -0.000096 0.000339 0.000050 -0.000310 0.000180 0.000447 0Rh 5py 0.000083 0.000036 -0.000530 0.000210 0.000003 0.000065 0Rh 6pz 0.000621 0.000371 0.000130 0.000377 -0.001908 0.001150 0Rh 6px 0.000068 0.000738 0.000054 -0.000727 -0.000452 0.001041 0Rh 6py -0.000416 -0.000131 0.002489 0.001407 0.000223 0.000076 0Rh 1dz2 0.065232 0.000495 0.268895 -0.005333 -0.427081 -0.003578 0Rh 1dxz -0.396974 -0.003326 0.027562 -0.000635 0.493448 0.004266 0Rh 1dyz 0.592750 0.004572 0.328217 -0.006148 0.388214 0.003187 0Rh 1dx2y2 0.018498 0.000219 0.160988 -0.003292 -0.198725 -0.001495 0Rh 1dxy 0.319324 0.002985 -0.639890 0.012881 -0.008972 -0.000234 0Rh 2dz2 0.024077 0.000190 0.098465 -0.001956 -0.156090 -0.001299 0Rh 2dxz -0.145146 -0.001208 0.010147 -0.000241 0.180405 0.001574 0Rh 2dyz 0.217402 0.001691 0.120158 -0.002250 0.142129 0.001165 0Rh 2dx2y2 0.006975 0.000070 0.058784 -0.001189 -0.072837 -0.000560 0Rh 2dxy 0.117021 0.001092 -0.233726 0.004713 -0.003271 -0.000092 0Rh 3dz2 0.004803 0.000016 0.019207 -0.000371 -0.030268 -0.000277 0Rh 3dxz -0.028346 -0.000260 0.002004 -0.000026 0.035203 0.000259 0Rh 3dyz 0.042696 0.000288 0.023508 -0.000442 0.027755 0.000232 0Rh 3dx2y2 0.001487 0.000051 0.011387 -0.000268 -0.014236 -0.000074 0Rh 3dxy 0.022956 0.000219 -0.045501 0.000889 -0.000639 0.000001 0Rh 4dz2 -0.000847 0.000034 -0.002222 0.000026 0.002972 0.000051 0Rh 4dxz 0.003243 0.000080 -0.000305 -0.000026 -0.004046 0.000088 0Rh 4dyz -0.005472 0.000071 -0.002832 0.000051 -0.003178 -0.000033 0Rh 4dx2y2 -0.000555 -0.000062 -0.001070 0.000079 0.001704 -0.000036 0Rh 4dxy -0.002916 -0.000029 0.004906 0.000002 0.000083 -0.000031 0Rh 5dz2 0.001183 0.000050 0.001557 -0.000084 -0.001071 0.000185 0Rh 5dxz -0.002123 -0.000041 0.000337 -0.000102 0.002648 -0.000232 0Rh 5dyz 0.004929 -0.000259 0.002169 -0.000021 0.002176 0.000020 0Rh 5dx2y2 0.001111 -0.000148 0.000307 0.000140 -0.001297 -0.000246 0Rh 5dxy 0.002546 -0.000062 -0.002596 -0.000340 -0.000053 -0.000046 0Rh 1f0 -0.000007 0.000004 0.000011 -0.000008 0.000018 -0.000008 0Rh 1f+1 -0.000009 -0.000024 -0.000008 0.000011 0.000014 -0.000051 0Rh 1f-1 0.000010 -0.000010 0.000003 0.000004 0.000004 0.000006 0Rh 1f+2 0.000017 -0.000020 0.000002 0.000034 -0.000017 -0.000004 0Rh 1f-2 -0.000014 0.000016 -0.000014 -0.000006 -0.000017 -0.000003 0Rh 1f+3 0.000008 -0.000026 0.000002 0.000039 -0.000012 -0.000041 0Rh 1f-3 0.000018 -0.000018 -0.000026 -0.000040 -0.000001 -0.000023 1Rh 1s -0.000001 0.000017 0.000000 -0.000016 0.000001 0.000019 1Rh 2s -0.000006 -0.000086 0.000008 0.000091 0.000009 -0.000098 1Rh 3s -0.000008 0.000029 0.000007 -0.000025 0.000010 0.000033 1Rh 4s 0.000031 0.000191 -0.000033 -0.000211 -0.000041 0.000218 1Rh 5s -0.000091 -0.000146 0.000085 0.000176 0.000113 -0.000168 1Rh 6s 0.000219 0.000148 -0.000200 -0.000177 -0.000270 0.000174 1Rh 7s -0.000852 -0.000618 0.000958 0.000836 0.001030 -0.000711 1Rh 8s -0.000204 0.000449 0.000158 -0.001235 0.000299 0.000488 1Rh 1pz -0.000000 -0.000048 -0.000001 0.000003 0.000004 -0.000094 1Rh 1px -0.000003 0.000043 0.000002 -0.000030 0.000003 0.000044 1Rh 1py -0.000000 0.000018 -0.000006 -0.000096 0.000000 0.000017 1Rh 2pz 0.000003 0.000119 0.000005 -0.000010 -0.000016 0.000226 1Rh 2px 0.000014 -0.000117 -0.000010 0.000082 -0.000018 -0.000123 1Rh 2py 0.000000 -0.000044 0.000025 0.000228 -0.000002 -0.000043 1Rh 3pz -0.000015 0.000029 -0.000033 0.000030 0.000074 0.000112 1Rh 3px -0.000089 0.000077 0.000079 -0.000066 0.000123 0.000115 1Rh 3py -0.000002 -0.000016 -0.000113 0.000153 0.000016 0.000015 1Rh 4pz 0.000017 -0.000070 0.000089 -0.000039 -0.000146 -0.000241 1Rh 4px 0.000252 -0.000093 -0.000227 0.000079 -0.000341 -0.000158 1Rh 4py 0.000015 0.000044 0.000248 -0.000307 -0.000047 -0.000015 1Rh 5pz 0.000028 0.000136 -0.000112 0.000045 0.000074 0.000423 1Rh 5px -0.000342 0.000090 0.000313 -0.000062 0.000449 0.000187 1Rh 5py -0.000037 -0.000088 -0.000188 0.000537 0.000066 0.000001 1Rh 6pz -0.000363 -0.000624 -0.000378 -0.000114 0.001179 -0.001894 1Rh 6px -0.000737 -0.000085 0.000736 -0.000076 0.001056 -0.000441 1Rh 6py 0.000107 0.000434 -0.001508 -0.002425 0.000087 0.000231 1Rh 1dz2 -0.000556 0.064280 0.005441 0.273275 -0.003606 0.428785 1Rh 1dxz 0.003155 -0.396655 0.000395 0.025062 0.004009 -0.492969 1Rh 1dyz -0.005067 0.590381 0.006979 0.331637 0.003339 -0.389197 1Rh 1dx2y2 -0.000055 0.015139 0.003180 0.164800 -0.001801 0.194108 1Rh 1dxy -0.002287 0.324441 -0.012445 -0.635383 0.000062 0.012062 1Rh 2dz2 -0.000198 0.023729 0.001989 0.100070 -0.001327 0.156715 1Rh 2dxz 0.001161 -0.145030 0.000138 0.009232 0.001451 -0.180230 1Rh 2dyz -0.001844 0.216538 0.002556 0.121416 0.001224 -0.142490 1Rh 2dx2y2 -0.000034 0.005747 0.001174 0.060180 -0.000648 0.071148 1Rh 2dxy -0.000840 0.118890 -0.004537 -0.232076 0.000029 0.004399 1Rh 3dz2 -0.000062 0.004735 0.000399 0.019518 -0.000232 0.030390 1Rh 3dxz 0.000203 -0.028322 0.000050 0.001823 0.000331 -0.035166 1Rh 3dyz -0.000406 0.042523 0.000499 0.023755 0.000235 -0.027823 1Rh 3dx2y2 0.000029 0.001247 0.000190 0.011662 -0.000162 0.013903 1Rh 3dxy -0.000160 0.023318 -0.000912 -0.045176 -0.000013 0.000857 1Rh 4dz2 0.000047 -0.000839 -0.000064 -0.002257 -0.000002 -0.002987 1Rh 4dxz 0.000028 0.003239 -0.000039 -0.000281 -0.000156 0.004037 1Rh 4dyz 0.000160 -0.005449 -0.000064 -0.002867 -0.000021 0.003185 1Rh 4dx2y2 -0.000053 -0.000529 0.000036 -0.001105 0.000065 -0.001665 1Rh 4dxy 0.000020 -0.002954 0.000196 0.004862 0.000033 -0.000105 1Rh 5dz2 0.000031 0.001178 -0.000021 0.001583 -0.000203 0.001080 1Rh 5dxz -0.000006 -0.002118 -0.000088 0.000322 0.000273 -0.002635 1Rh 5dyz -0.000339 0.004909 0.000069 0.002207 0.000016 -0.002179 1Rh 5dx2y2 -0.000166 0.001090 0.000155 0.000326 0.000226 0.001272 1Rh 5dxy -0.000108 0.002563 -0.000441 -0.002548 0.000048 0.000063 1Rh 1f0 -0.000004 0.000007 0.000008 -0.000011 -0.000008 0.000018 1Rh 1f+1 0.000024 0.000009 -0.000011 0.000008 -0.000051 0.000014 1Rh 1f-1 0.000010 -0.000010 -0.000004 -0.000002 0.000006 0.000004 1Rh 1f+2 0.000021 -0.000016 -0.000034 -0.000001 -0.000004 -0.000017 1Rh 1f-2 -0.000016 0.000014 0.000007 0.000013 -0.000003 -0.000017 1Rh 1f+3 0.000026 -0.000008 -0.000040 -0.000001 -0.000041 -0.000012 1Rh 1f-3 0.000019 -0.000018 0.000041 0.000025 -0.000024 -0.000002 2C 1s 0.000000 0.000000 -0.000001 0.000001 0.000001 0.000001 2C 2s -0.000002 0.000000 0.000003 -0.000003 -0.000005 -0.000006 2C 3s -0.000298 -0.000440 0.000169 -0.000266 -0.000264 -0.000200 2C 4s 0.001757 0.002642 -0.001131 0.001768 0.001814 0.001327 2C 5s 0.000647 -0.001294 0.001650 -0.002508 -0.002207 -0.002243 2C 1pz -0.000029 -0.000042 0.000010 -0.000015 -0.000016 -0.000023 2C 1px 0.000009 -0.000015 0.000008 -0.000009 0.000002 -0.000015 2C 1py -0.000032 -0.000034 0.000022 -0.000013 -0.000015 -0.000004 2C 2pz 0.000826 0.001412 -0.000695 0.000910 0.000931 0.000790 2C 2px 0.000132 0.000315 -0.000090 0.000216 0.000181 0.000388 2C 2py 0.000680 0.000966 -0.000534 0.000603 0.000655 0.000490 2C 3pz 0.000305 -0.000100 0.000426 -0.000514 -0.000403 -0.000279 2C 3px 0.000104 0.000149 0.000002 -0.000109 -0.000042 -0.000505 2C 3py 0.000107 -0.000072 0.000159 -0.000170 -0.000370 -0.000470 2C 1dz2 0.000014 0.000032 -0.000031 0.000026 0.000017 -0.000002 2C 1dxz 0.000018 0.000006 -0.000002 0.000008 0.000013 0.000020 2C 1dyz 0.000027 0.000040 -0.000008 0.000022 0.000030 0.000025 2C 1dx2y2 0.000006 -0.000015 0.000012 -0.000005 -0.000012 -0.000011 2C 1dxy 0.000015 0.000004 0.000007 0.000005 0.000002 0.000009 2C 2dz2 0.000180 0.000295 -0.000119 0.000179 0.000224 0.000273 2C 2dxz 0.000074 0.000177 -0.000049 0.000106 0.000050 0.000031 2C 2dyz 0.000292 0.000528 -0.000319 0.000358 0.000342 0.000312 2C 2dx2y2 -0.000140 -0.000131 0.000082 -0.000106 -0.000098 0.000010 2C 2dxy 0.000012 0.000138 -0.000048 0.000076 0.000064 0.000080 2C 1f0 0.000006 0.000007 -0.000009 0.000005 0.000014 0.000022 2C 1f+1 0.000007 0.000026 -0.000007 0.000025 0.000012 0.000031 2C 1f-1 0.000052 0.000080 -0.000036 0.000052 0.000054 0.000036 2C 1f+2 -0.000035 -0.000045 0.000031 -0.000031 -0.000040 -0.000024 2C 1f-2 0.000027 0.000034 -0.000006 0.000026 0.000012 0.000028 2C 1f+3 0.000003 0.000013 -0.000003 0.000007 -0.000000 0.000011 2C 1f-3 0.000006 0.000008 -0.000013 0.000007 0.000016 0.000009 3C 1s -0.000001 0.000000 0.000001 -0.000001 0.000001 0.000000 3C 2s 0.000005 -0.000003 -0.000004 0.000006 -0.000005 -0.000002 3C 3s 0.000369 0.000203 -0.000124 0.000378 -0.000005 -0.000312 3C 4s -0.002367 -0.001193 0.000929 -0.002467 0.000234 0.001939 3C 5s 0.001117 0.000038 -0.002692 0.002738 -0.001500 -0.001542 3C 1pz 0.000033 0.000019 0.000005 0.000009 0.000007 -0.000023 3C 1px 0.000000 0.000012 0.000001 0.000019 0.000004 -0.000013 3C 1py -0.000025 -0.000010 0.000006 -0.000039 -0.000001 0.000028 3C 2pz -0.000765 -0.000434 0.000235 -0.000692 0.000059 0.000626 3C 2px -0.000476 -0.000100 0.000150 -0.000669 0.000051 0.000476 3C 2py 0.001104 0.000517 -0.000536 0.001437 -0.000194 -0.001074 3C 3pz 0.000172 0.000200 -0.000355 0.000299 -0.000141 0.000076 3C 3px 0.000118 -0.000455 -0.000132 0.000525 -0.000073 -0.000106 3C 3py -0.000055 0.000142 0.000577 -0.000408 0.000484 0.000329 3C 1dz2 0.000019 0.000003 0.000009 -0.000002 -0.000006 -0.000015 3C 1dxz -0.000010 -0.000000 0.000009 -0.000020 0.000005 0.000010 3C 1dyz 0.000028 0.000026 -0.000013 0.000034 -0.000004 -0.000017 3C 1dx2y2 0.000014 0.000022 -0.000016 0.000020 -0.000008 -0.000023 3C 1dxy 0.000038 -0.000011 -0.000002 0.000033 0.000002 -0.000022 3C 2dz2 0.000020 0.000023 -0.000079 0.000181 -0.000011 -0.000013 3C 2dxz -0.000128 -0.000107 0.000033 -0.000100 -0.000002 0.000143 3C 2dyz 0.000348 0.000095 -0.000209 0.000487 -0.000065 -0.000420 3C 2dx2y2 0.000293 0.000107 -0.000098 0.000314 -0.000042 -0.000176 3C 2dxy 0.000182 0.000178 -0.000082 0.000267 -0.000046 -0.000225 3C 1f0 0.000038 0.000024 -0.000009 0.000040 -0.000006 -0.000021 3C 1f+1 -0.000010 0.000008 0.000006 -0.000007 -0.000001 0.000012 3C 1f-1 0.000006 0.000009 -0.000008 -0.000006 0.000003 -0.000018 3C 1f+2 0.000056 0.000027 -0.000027 0.000043 -0.000008 -0.000037 3C 1f-2 0.000045 0.000015 -0.000015 0.000057 -0.000002 -0.000047 3C 1f+3 -0.000034 -0.000015 0.000016 -0.000054 0.000005 0.000045 3C 1f-3 0.000022 0.000001 -0.000023 0.000029 -0.000013 -0.000012 4C 1s 0.000004 0.000005 -0.000001 0.000003 0.000003 0.000002 4C 2s -0.000026 -0.000032 0.000008 -0.000017 -0.000017 -0.000013 4C 3s 0.000707 0.000899 -0.000243 0.000354 0.000278 0.000411 4C 4s -0.002831 -0.003566 0.000938 -0.001057 -0.000582 -0.001648 4C 5s -0.001089 -0.000074 -0.000382 0.001308 0.001352 0.000781 4C 1pz -0.000031 -0.000035 0.000023 -0.000055 -0.000056 -0.000036 4C 1px 0.000039 -0.000038 0.000028 0.000006 -0.000041 0.000011 4C 1py -0.000004 -0.000028 0.000027 -0.000038 -0.000036 -0.000018 4C 2pz 0.000591 0.000987 -0.000738 0.001132 0.001093 0.000554 4C 2px -0.000103 0.000463 0.000045 -0.000008 0.000633 0.000423 4C 2py 0.000279 0.000722 -0.000388 0.000684 0.000830 0.000530 4C 3pz 0.000948 -0.000282 0.001253 -0.001061 -0.000888 -0.002138 4C 3px -0.000267 0.000508 0.000537 0.000020 -0.000282 0.000017 4C 3py 0.000357 -0.000020 0.001176 -0.000822 -0.000616 -0.001034 4C 1dz2 0.000038 0.000042 -0.000033 0.000038 0.000027 0.000025 4C 1dxz 0.000011 0.000020 -0.000027 0.000002 0.000029 -0.000005 4C 1dyz 0.000021 0.000055 -0.000023 0.000049 0.000050 0.000043 4C 1dx2y2 -0.000014 -0.000023 0.000015 -0.000009 -0.000009 -0.000048 4C 1dxy 0.000009 -0.000002 -0.000021 -0.000001 0.000034 0.000004 4C 2dz2 -0.000323 -0.000460 0.000302 -0.000305 -0.000478 -0.000460 4C 2dxz 0.000069 -0.000053 0.000358 -0.000269 -0.000143 0.000165 4C 2dyz -0.000484 -0.000861 0.000404 -0.000602 -0.000590 -0.000584 4C 2dx2y2 -0.000111 -0.000039 -0.000211 0.000109 0.000216 0.000283 4C 2dxy -0.000255 -0.000276 0.000331 -0.000116 -0.000036 -0.000045 4C 1f0 0.000025 0.000077 0.000003 0.000047 0.000005 0.000003 4C 1f+1 0.000113 0.000089 -0.000041 0.000010 0.000053 0.000039 4C 1f-1 0.000057 0.000083 -0.000049 0.000041 0.000032 0.000034 4C 1f+2 -0.000065 -0.000124 -0.000006 -0.000053 -0.000026 -0.000061 4C 1f-2 0.000021 0.000004 0.000013 0.000006 0.000031 0.000021 4C 1f+3 0.000007 -0.000018 -0.000000 -0.000005 0.000029 -0.000050 4C 1f-3 0.000054 0.000059 -0.000020 0.000033 0.000006 0.000014 5C 1s -0.000004 -0.000003 0.000001 -0.000004 -0.000000 0.000003 5C 2s 0.000027 0.000015 -0.000006 0.000025 0.000001 -0.000021 5C 3s -0.000624 -0.000410 0.000074 -0.000692 -0.000069 0.000518 5C 4s 0.002080 0.001552 0.000019 0.002573 0.000490 -0.001929 5C 5s -0.000201 0.000461 0.001702 -0.000700 0.000673 0.000624 5C 1pz 0.000036 -0.000003 -0.000008 0.000032 -0.000016 -0.000024 5C 1px 0.000008 0.000038 -0.000049 0.000010 -0.000040 -0.000012 5C 1py -0.000061 -0.000015 0.000038 -0.000059 0.000017 0.000039 5C 2pz -0.000593 -0.000269 0.000368 -0.000674 0.000207 0.000476 5C 2px -0.000674 -0.000035 0.000468 -0.000660 0.000374 0.000505 5C 2py 0.001150 0.000466 -0.000719 0.001204 -0.000341 -0.000951 5C 3pz -0.000090 -0.000494 -0.000884 0.001158 -0.000747 -0.000787 5C 3px 0.000366 -0.000425 -0.000556 -0.000088 -0.000536 0.000024 5C 3py 0.000125 0.000895 0.001585 -0.002004 0.001169 0.000673 5C 1dz2 0.000027 0.000010 -0.000007 -0.000008 -0.000001 -0.000009 5C 1dxz -0.000022 0.000003 0.000019 -0.000036 0.000004 -0.000007 5C 1dyz 0.000046 0.000017 -0.000025 0.000073 -0.000020 -0.000031 5C 1dx2y2 0.000030 0.000009 -0.000007 0.000052 0.000000 -0.000055 5C 1dxy 0.000032 0.000019 -0.000033 0.000020 -0.000021 -0.000027 5C 2dz2 -0.000226 -0.000276 -0.000009 -0.000177 -0.000034 0.000106 5C 2dxz 0.000050 0.000013 -0.000153 0.000287 -0.000097 0.000001 5C 2dyz -0.000745 -0.000197 0.000267 -0.000950 0.000146 0.000609 5C 2dx2y2 -0.000405 0.000167 0.000270 -0.000536 0.000140 0.000548 5C 2dxy -0.000117 -0.000303 0.000304 -0.000293 0.000044 0.000362 5C 1f0 0.000004 0.000009 -0.000028 -0.000022 0.000007 -0.000024 5C 1f+1 -0.000022 -0.000032 0.000011 -0.000015 0.000006 0.000016 5C 1f-1 -0.000008 0.000019 0.000005 0.000019 0.000003 0.000014 5C 1f+2 0.000015 0.000031 0.000010 0.000076 -0.000007 -0.000033 5C 1f-2 0.000091 0.000027 -0.000013 0.000081 0.000003 -0.000072 5C 1f+3 -0.000115 -0.000044 0.000014 -0.000066 0.000008 0.000019 5C 1f-3 0.000050 0.000085 -0.000000 0.000074 0.000026 -0.000075 6C 1s -0.000002 -0.000004 -0.000004 0.000001 -0.000003 0.000000 6C 2s 0.000015 0.000028 0.000025 -0.000007 0.000021 -0.000001 6C 3s -0.000403 -0.000633 -0.000684 0.000095 -0.000519 0.000055 6C 4s 0.001529 0.002110 0.002549 -0.000060 0.001941 -0.000436 6C 5s 0.000452 -0.000204 -0.000652 0.001731 -0.000601 -0.000697 6C 1pz 0.000003 -0.000036 -0.000032 0.000009 -0.000023 -0.000016 6C 1px -0.000038 -0.000009 -0.000008 0.000049 -0.000012 -0.000041 6C 1py 0.000015 0.000062 0.000057 -0.000040 0.000038 0.000018 6C 2pz 0.000265 0.000601 0.000662 -0.000386 0.000465 0.000219 6C 2px 0.000029 0.000680 0.000636 -0.000493 0.000498 0.000386 6C 2py -0.000458 -0.001165 -0.001178 0.000755 -0.000934 -0.000365 6C 3pz 0.000479 0.000092 -0.001123 0.000929 -0.000771 -0.000771 6C 3px 0.000429 -0.000363 0.000104 0.000544 0.000031 -0.000537 6C 3py -0.000872 -0.000130 0.001944 -0.001661 0.000647 0.001194 6C 1dz2 0.000010 0.000027 -0.000008 -0.000007 0.000008 0.000002 6C 1dxz 0.000004 -0.000022 -0.000035 0.000021 0.000007 -0.000004 6C 1dyz 0.000016 0.000047 0.000072 -0.000027 0.000030 0.000021 6C 1dx2y2 0.000009 0.000030 0.000052 -0.000009 0.000055 0.000001 6C 1dxy 0.000018 0.000033 0.000019 -0.000034 0.000027 0.000021 6C 2dz2 -0.000274 -0.000231 -0.000175 -0.000004 -0.000106 0.000030 6C 2dxz 0.000014 0.000053 0.000282 -0.000165 -0.000006 0.000100 6C 2dyz -0.000192 -0.000752 -0.000937 0.000297 -0.000603 -0.000161 6C 2dx2y2 0.000169 -0.000405 -0.000530 0.000289 -0.000541 -0.000152 6C 2dxy -0.000304 -0.000126 -0.000282 0.000313 -0.000358 -0.000055 6C 1f0 -0.000009 -0.000005 0.000022 0.000027 -0.000024 0.000006 6C 1f+1 0.000032 0.000023 0.000014 -0.000011 0.000016 0.000007 6C 1f-1 -0.000019 0.000007 -0.000019 -0.000004 0.000014 0.000003 6C 1f+2 -0.000031 -0.000016 -0.000076 -0.000007 -0.000032 -0.000007 6C 1f-2 -0.000026 -0.000092 -0.000080 0.000015 -0.000072 0.000001 6C 1f+3 0.000043 0.000116 0.000065 -0.000016 0.000018 0.000009 6C 1f-3 -0.000085 -0.000051 -0.000073 0.000003 -0.000075 0.000024 7C 1s 0.000005 0.000004 0.000003 -0.000001 -0.000002 -0.000003 7C 2s -0.000031 -0.000026 -0.000017 0.000008 0.000013 0.000017 7C 3s 0.000892 0.000724 0.000335 -0.000247 -0.000409 -0.000286 7C 4s -0.003535 -0.002894 -0.000983 0.000935 0.001650 0.000613 7C 5s -0.000047 -0.001090 0.001307 -0.000454 -0.000766 -0.001354 7C 1pz 0.000035 0.000031 0.000053 -0.000025 -0.000036 -0.000056 7C 1px 0.000039 -0.000038 -0.000008 -0.000028 0.000012 -0.000040 7C 1py 0.000029 0.000004 0.000037 -0.000028 -0.000018 -0.000036 7C 2pz -0.000981 -0.000610 -0.001091 0.000770 0.000542 0.001097 7C 2px -0.000468 0.000099 0.000014 -0.000040 0.000414 0.000639 7C 2py -0.000725 -0.000293 -0.000662 0.000413 0.000523 0.000841 7C 3pz 0.000308 -0.000942 0.001010 -0.001294 -0.002116 -0.000915 7C 3px -0.000514 0.000267 -0.000039 -0.000526 0.000022 -0.000275 7C 3py 0.000035 -0.000352 0.000780 -0.001208 -0.001024 -0.000628 7C 1dz2 0.000042 0.000039 0.000036 -0.000034 -0.000025 -0.000028 7C 1dxz 0.000020 0.000012 0.000001 -0.000027 0.000005 -0.000029 7C 1dyz 0.000055 0.000022 0.000047 -0.000024 -0.000042 -0.000050 7C 1dx2y2 -0.000023 -0.000014 -0.000008 0.000014 0.000048 0.000010 7C 1dxy -0.000002 0.000009 -0.000002 -0.000021 -0.000003 -0.000034 7C 2dz2 -0.000456 -0.000331 -0.000287 0.000310 0.000453 0.000484 7C 2dxz -0.000053 0.000067 -0.000255 0.000367 -0.000166 0.000140 7C 2dyz -0.000860 -0.000502 -0.000577 0.000420 0.000579 0.000602 7C 2dx2y2 -0.000035 -0.000109 0.000101 -0.000217 -0.000284 -0.000222 7C 2dxy -0.000271 -0.000262 -0.000100 0.000331 0.000044 0.000036 7C 1f0 -0.000076 -0.000026 -0.000047 -0.000002 0.000003 0.000005 7C 1f+1 -0.000087 -0.000115 -0.000008 0.000040 0.000038 0.000053 7C 1f-1 -0.000082 -0.000059 -0.000038 0.000050 0.000034 0.000032 7C 1f+2 0.000124 0.000067 0.000053 0.000004 -0.000061 -0.000027 7C 1f-2 -0.000004 -0.000021 -0.000006 -0.000013 0.000020 0.000031 7C 1f+3 0.000018 -0.000007 0.000005 -0.000000 -0.000051 0.000029 7C 1f-3 -0.000059 -0.000056 -0.000032 0.000020 0.000014 0.000006 8C 1s 0.000000 -0.000001 -0.000001 0.000001 -0.000000 -0.000001 8C 2s -0.000003 0.000005 0.000005 -0.000004 0.000002 0.000005 8C 3s 0.000200 0.000374 0.000372 -0.000135 0.000310 0.000014 8C 4s -0.001172 -0.002399 -0.002425 0.001004 -0.001921 -0.000284 8C 5s 0.000053 0.001128 0.002634 -0.002787 0.001501 0.001552 8C 1pz -0.000018 -0.000033 -0.000009 -0.000004 -0.000023 0.000007 8C 1px -0.000012 -0.000000 -0.000019 0.000000 -0.000013 0.000003 8C 1py 0.000010 0.000025 0.000039 -0.000007 0.000028 -0.000000 8C 2pz 0.000425 0.000775 0.000682 -0.000257 0.000620 0.000075 8C 2px 0.000096 0.000479 0.000665 -0.000173 0.000474 0.000063 8C 2py -0.000511 -0.001120 -0.001413 0.000581 -0.001063 -0.000222 8C 3pz -0.000199 -0.000176 -0.000284 0.000366 0.000082 -0.000141 8C 3px 0.000457 -0.000107 -0.000523 0.000155 -0.000105 -0.000077 8C 3py -0.000134 0.000058 0.000386 -0.000590 0.000319 0.000493 8C 1dz2 0.000003 0.000019 -0.000001 0.000010 0.000015 0.000006 8C 1dxz -0.000000 -0.000010 -0.000020 0.000010 -0.000009 -0.000005 8C 1dyz 0.000026 0.000028 0.000033 -0.000014 0.000016 0.000004 8C 1dx2y2 0.000022 0.000015 0.000019 -0.000016 0.000022 0.000009 8C 1dxy -0.000012 0.000037 0.000033 -0.000003 0.000022 -0.000002 8C 2dz2 0.000024 0.000021 0.000178 -0.000085 0.000012 0.000012 8C 2dxz -0.000106 -0.000130 -0.000098 0.000037 -0.000142 -0.000000 8C 2dyz 0.000093 0.000352 0.000479 -0.000225 0.000417 0.000076 8C 2dx2y2 0.000104 0.000295 0.000310 -0.000108 0.000173 0.000047 8C 2dxy 0.000177 0.000187 0.000262 -0.000091 0.000223 0.000052 8C 1f0 -0.000024 -0.000039 -0.000040 0.000010 -0.000021 -0.000006 8C 1f+1 -0.000008 0.000010 0.000007 -0.000006 0.000012 -0.000001 8C 1f-1 -0.000009 -0.000007 0.000006 0.000008 -0.000018 0.000002 8C 1f+2 -0.000027 -0.000057 -0.000042 0.000028 -0.000036 -0.000009 8C 1f-2 -0.000014 -0.000045 -0.000056 0.000017 -0.000047 -0.000003 8C 1f+3 0.000015 0.000034 0.000053 -0.000018 0.000045 0.000006 8C 1f-3 -0.000001 -0.000022 -0.000028 0.000023 -0.000011 -0.000014 9C 1s 0.000000 0.000001 0.000001 -0.000001 -0.000001 -0.000001 9C 2s 0.000000 -0.000002 -0.000003 0.000003 0.000006 0.000005 9C 3s -0.000437 -0.000306 -0.000255 0.000176 0.000198 0.000266 9C 4s 0.002625 0.001805 0.001696 -0.001176 -0.001312 -0.001832 9C 5s -0.001323 0.000629 -0.002451 0.001752 0.002209 0.002218 9C 1pz 0.000041 0.000030 0.000014 -0.000010 -0.000023 -0.000016 9C 1px 0.000015 -0.000009 0.000009 -0.000008 -0.000015 0.000002 9C 1py 0.000034 0.000033 0.000011 -0.000022 -0.000004 -0.000015 9C 2pz -0.001403 -0.000850 -0.000864 0.000713 0.000779 0.000941 9C 2px -0.000313 -0.000135 -0.000207 0.000093 0.000384 0.000186 9C 2py -0.000965 -0.000699 -0.000574 0.000555 0.000493 0.000667 9C 3pz 0.000111 -0.000298 0.000499 -0.000446 -0.000266 -0.000402 9C 3px -0.000146 -0.000111 0.000111 -0.000005 -0.000500 -0.000048 9C 3py 0.000070 -0.000112 0.000166 -0.000173 -0.000470 -0.000376 9C 1dz2 0.000031 0.000015 0.000024 -0.000032 0.000003 -0.000017 9C 1dxz 0.000005 0.000018 0.000008 -0.000002 -0.000019 -0.000014 9C 1dyz 0.000040 0.000027 0.000022 -0.000009 -0.000024 -0.000031 9C 1dx2y2 -0.000015 0.000006 -0.000005 0.000012 0.000011 0.000012 9C 1dxy 0.000003 0.000015 0.000006 0.000007 -0.000009 -0.000002 9C 2dz2 0.000291 0.000182 0.000168 -0.000121 -0.000271 -0.000227 9C 2dxz 0.000175 0.000076 0.000100 -0.000052 -0.000030 -0.000049 9C 2dyz 0.000528 0.000303 0.000341 -0.000330 -0.000311 -0.000348 9C 2dx2y2 -0.000132 -0.000143 -0.000102 0.000084 -0.000010 0.000099 9C 2dxy 0.000139 0.000014 0.000072 -0.000049 -0.000079 -0.000065 9C 1f0 -0.000007 -0.000006 -0.000004 0.000009 0.000022 0.000014 9C 1f+1 -0.000026 -0.000007 -0.000024 0.000007 0.000031 0.000012 9C 1f-1 -0.000079 -0.000053 -0.000049 0.000037 0.000036 0.000054 9C 1f+2 0.000045 0.000037 0.000030 -0.000032 -0.000024 -0.000041 9C 1f-2 -0.000034 -0.000027 -0.000025 0.000007 0.000028 0.000012 9C 1f+3 -0.000013 -0.000003 -0.000007 0.000003 0.000011 -0.000000 9C 1f-3 -0.000009 -0.000006 -0.000006 0.000013 0.000009 0.000016 10H 1s 0.000011 -0.000004 0.000015 -0.000008 -0.000012 -0.000015 10H 2s -0.000024 0.000019 -0.000041 0.000022 0.000004 -0.000148 10H 3s 0.000012 0.000055 -0.000050 0.000206 0.000146 0.000434 10H 1pz -0.000015 -0.000027 -0.000000 -0.000020 -0.000016 -0.000029 10H 1px 0.000010 -0.000007 0.000001 0.000004 0.000010 0.000034 10H 1py -0.000006 -0.000016 -0.000001 -0.000011 -0.000012 -0.000018 11H 1s -0.000004 -0.000010 -0.000010 0.000001 -0.000001 0.000016 11H 2s -0.000105 0.000100 0.000018 0.000039 0.000044 0.000071 11H 3s 0.000192 0.000316 -0.000067 0.000186 0.000234 0.000012 11H 1pz -0.000033 -0.000006 0.000030 -0.000016 -0.000021 -0.000006 11H 1px -0.000025 -0.000003 -0.000004 -0.000002 -0.000005 0.000018 11H 1py 0.000002 -0.000006 0.000014 -0.000013 -0.000011 -0.000010 12H 1s 0.000000 -0.000006 -0.000002 -0.000008 -0.000005 0.000009 12H 2s -0.000010 0.000078 -0.000045 0.000046 0.000033 0.000051 12H 3s -0.000036 0.000286 -0.000050 0.000317 0.000121 -0.000144 12H 1pz -0.000010 -0.000003 0.000010 -0.000004 -0.000018 -0.000032 12H 1px -0.000012 -0.000001 -0.000010 -0.000002 -0.000003 0.000018 12H 1py -0.000009 -0.000005 0.000004 -0.000011 -0.000015 -0.000011 13H 1s -0.000002 -0.000007 -0.000013 0.000015 -0.000006 -0.000010 13H 2s 0.000008 -0.000138 -0.000016 0.000097 0.000005 -0.000035 13H 3s -0.000150 0.000249 0.000159 -0.000370 0.000027 0.000198 13H 1pz 0.000020 -0.000018 -0.000015 0.000038 -0.000004 -0.000018 13H 1px -0.000010 0.000025 0.000000 -0.000011 -0.000001 0.000006 13H 1py -0.000018 -0.000011 0.000008 -0.000032 0.000006 0.000016 14H 1s 0.000003 0.000008 -0.000006 0.000002 0.000002 -0.000006 14H 2s -0.000046 -0.000041 -0.000002 -0.000086 0.000023 0.000031 14H 3s -0.000032 -0.000291 0.000240 0.000002 0.000106 0.000252 14H 1pz 0.000005 -0.000009 -0.000019 0.000021 -0.000007 -0.000007 14H 1px 0.000013 0.000011 -0.000008 -0.000008 -0.000001 -0.000003 14H 1py -0.000024 0.000009 0.000009 -0.000023 0.000005 -0.000003 15H 1s 0.000011 0.000026 0.000006 -0.000007 0.000005 0.000008 15H 2s 0.000065 -0.000005 0.000097 -0.000138 0.000011 0.000081 15H 3s -0.000328 -0.000397 0.000135 -0.000155 -0.000044 -0.000002 15H 1pz -0.000008 -0.000022 -0.000016 0.000021 -0.000010 -0.000030 15H 1px 0.000015 0.000010 0.000001 -0.000004 0.000001 -0.000006 15H 1py -0.000042 -0.000005 0.000001 -0.000003 0.000006 0.000018 16H 1s 0.000021 0.000002 0.000023 -0.000002 0.000020 0.000008 16H 2s 0.000281 -0.000040 0.000139 -0.000011 -0.000335 -0.000050 16H 3s 0.000135 0.000006 0.000272 0.000024 -0.000271 0.000102 16H 1pz 0.000063 -0.000006 0.000052 0.000000 -0.000047 -0.000000 16H 1px -0.000050 -0.000001 -0.000020 -0.000013 0.000097 -0.000013 16H 1py 0.000002 -0.000001 -0.000016 -0.000003 -0.000005 -0.000003 17H 1s -0.000069 0.000004 0.000001 -0.000001 0.000023 -0.000001 17H 2s 0.000147 -0.000017 0.000125 -0.000001 -0.000116 -0.000015 17H 3s -0.000225 -0.000017 0.000248 0.000045 0.000336 -0.000072 17H 1pz -0.000011 -0.000001 -0.000019 0.000008 0.000033 -0.000003 17H 1px 0.000003 0.000012 -0.000043 -0.000014 -0.000017 0.000023 17H 1py -0.000005 0.000001 -0.000012 -0.000001 0.000004 0.000000 18H 1s 0.000005 -0.000068 -0.000001 0.000001 0.000001 -0.000022 18H 2s -0.000021 0.000146 0.000005 0.000121 0.000016 0.000108 18H 3s -0.000014 -0.000228 0.000052 0.000235 0.000078 -0.000341 18H 1pz 0.000001 0.000010 -0.000007 0.000019 -0.000003 0.000032 18H 1px -0.000012 -0.000003 0.000015 0.000040 0.000024 -0.000019 18H 1py -0.000000 0.000003 0.000001 0.000013 -0.000000 0.000004 19H 1s 0.000002 0.000022 -0.000001 0.000024 -0.000008 -0.000020 19H 2s -0.000046 0.000274 -0.000004 0.000145 0.000048 0.000334 19H 3s 0.000003 0.000132 0.000037 0.000281 -0.000105 0.000265 19H 1pz 0.000008 -0.000061 -0.000003 -0.000053 -0.000001 -0.000046 19H 1px -0.000000 0.000050 0.000014 0.000023 -0.000014 0.000096 19H 1py 0.000002 -0.000004 0.000003 0.000014 -0.000003 -0.000006 20H 1s 0.000026 0.000011 -0.000006 0.000006 -0.000008 -0.000005 20H 2s -0.000009 0.000065 -0.000134 0.000103 -0.000080 -0.000014 20H 3s -0.000393 -0.000332 -0.000146 0.000140 0.000004 0.000042 20H 1pz 0.000021 0.000008 -0.000021 0.000017 -0.000030 -0.000011 20H 1px -0.000010 -0.000015 0.000004 -0.000001 -0.000006 0.000001 20H 1py 0.000004 0.000043 0.000003 -0.000001 0.000017 0.000007 21H 1s 0.000008 0.000003 0.000001 -0.000006 0.000006 -0.000002 21H 2s -0.000041 -0.000045 -0.000087 0.000002 -0.000030 -0.000024 21H 3s -0.000295 -0.000040 0.000013 0.000236 -0.000250 -0.000113 21H 1pz 0.000009 -0.000005 -0.000020 0.000019 -0.000007 -0.000007 21H 1px -0.000011 -0.000014 0.000009 0.000007 -0.000003 -0.000001 21H 1py -0.000009 0.000024 0.000023 -0.000010 -0.000004 0.000005 22H 1s -0.000007 -0.000002 0.000015 -0.000014 0.000010 0.000006 22H 2s -0.000139 0.000007 0.000097 -0.000020 0.000036 -0.000004 22H 3s 0.000249 -0.000144 -0.000367 0.000174 -0.000197 -0.000033 22H 1pz 0.000017 -0.000020 -0.000037 0.000016 -0.000018 -0.000004 22H 1px -0.000026 0.000010 0.000011 -0.000001 0.000006 -0.000001 22H 1py 0.000010 0.000019 0.000031 -0.000009 0.000016 0.000007 23H 1s -0.000006 -0.000000 -0.000008 -0.000002 -0.000010 0.000005 23H 2s 0.000080 -0.000010 0.000044 -0.000051 -0.000053 -0.000033 23H 3s 0.000291 -0.000028 0.000316 -0.000058 0.000147 -0.000116 23H 1pz 0.000002 0.000010 0.000004 -0.000010 -0.000032 -0.000019 23H 1px 0.000001 0.000012 0.000002 0.000010 0.000018 -0.000003 23H 1py 0.000004 0.000010 0.000011 -0.000004 -0.000010 -0.000015 24H 1s -0.000010 -0.000004 0.000000 -0.000010 -0.000016 0.000001 24H 2s 0.000104 -0.000105 0.000040 0.000018 -0.000068 -0.000045 24H 3s 0.000312 0.000194 0.000182 -0.000079 -0.000013 -0.000231 24H 1pz 0.000005 0.000034 0.000015 -0.000031 -0.000006 -0.000022 24H 1px 0.000002 0.000025 0.000002 0.000003 0.000018 -0.000005 24H 1py 0.000006 -0.000001 0.000013 -0.000014 -0.000009 -0.000012 25H 1s -0.000005 0.000011 -0.000007 0.000016 0.000015 0.000012 25H 2s 0.000019 -0.000025 0.000020 -0.000042 0.000147 -0.000000 25H 3s 0.000056 0.000008 0.000205 -0.000056 -0.000433 -0.000151 25H 1pz 0.000027 0.000015 0.000019 -0.000001 -0.000028 -0.000016 25H 1px 0.000007 -0.000010 -0.000004 -0.000001 0.000034 0.000011 25H 1py 0.000016 0.000006 0.000011 0.000001 -0.000017 -0.000012 26O 1s 0.000001 -0.000001 0.000000 -0.000000 0.000000 0.000000 26O 2s -0.000004 0.000014 -0.000003 0.000004 0.000003 -0.000005 26O 3s 0.000070 -0.000160 0.000078 -0.000048 0.000027 0.000073 26O 4s 0.000042 0.000385 -0.000124 0.000050 0.000093 -0.000511 26O 5s -0.000174 0.000382 -0.000900 0.000424 -0.002043 0.001195 26O 1pz 0.000018 -0.000034 -0.000002 -0.000020 0.000022 -0.000014 26O 1px 0.000018 0.000022 0.000002 0.000025 -0.000028 0.000021 26O 1py 0.000007 -0.000002 0.000008 -0.000007 -0.000003 -0.000015 26O 2pz -0.000249 0.000139 -0.000096 0.000088 -0.000167 0.000045 26O 2px -0.000271 -0.000245 0.000063 -0.000159 0.000131 -0.000035 26O 2py -0.000236 -0.000057 -0.000050 0.000020 -0.000042 0.000080 26O 3pz -0.001173 0.000173 -0.000487 0.000396 -0.000531 0.000505 26O 3px -0.000795 -0.000076 -0.000019 0.000265 0.000445 -0.000043 26O 3py -0.000677 0.000223 -0.000758 0.000067 -0.000057 0.000462 26O 1dz2 0.000005 -0.000012 -0.000026 -0.000019 0.000007 -0.000006 26O 1dxz 0.000006 0.000013 0.000008 0.000011 -0.000001 0.000015 26O 1dyz -0.000010 -0.000014 0.000013 0.000003 -0.000012 -0.000014 26O 1dx2y2 0.000023 0.000003 0.000008 0.000001 0.000021 0.000003 26O 1dxy 0.000023 0.000010 -0.000005 0.000003 -0.000009 0.000018 26O 2dz2 -0.000151 0.000014 0.000088 0.000056 -0.000095 0.000029 26O 2dxz -0.000067 -0.000079 -0.000054 -0.000072 -0.000027 -0.000071 26O 2dyz -0.000093 0.000057 -0.000111 -0.000010 -0.000044 0.000055 26O 2dx2y2 0.000011 0.000053 -0.000045 0.000021 -0.000067 0.000020 26O 2dxy -0.000064 0.000008 -0.000022 0.000001 0.000013 -0.000089 26O 1f0 0.000005 -0.000008 0.000030 -0.000003 -0.000016 0.000002 26O 1f+1 0.000002 0.000006 -0.000015 0.000002 -0.000013 -0.000000 26O 1f-1 0.000000 0.000002 0.000013 0.000000 -0.000002 -0.000002 26O 1f+2 -0.000021 0.000010 -0.000006 0.000009 -0.000003 -0.000003 26O 1f-2 -0.000025 0.000003 -0.000014 0.000002 0.000012 -0.000007 26O 1f+3 -0.000007 0.000009 -0.000014 0.000003 0.000010 0.000011 26O 1f-3 0.000025 0.000006 0.000004 0.000004 -0.000003 0.000003 27O 1s -0.000001 0.000001 -0.000000 0.000000 -0.000000 -0.000000 27O 2s 0.000002 -0.000016 0.000004 -0.000005 0.000003 0.000002 27O 3s -0.000116 0.000195 -0.000045 0.000036 -0.000009 -0.000012 27O 4s -0.000046 -0.000765 0.000165 0.000153 0.000042 -0.000170 27O 5s 0.002229 0.000520 -0.000915 -0.000902 -0.000732 0.000553 27O 1pz -0.000016 -0.000001 0.000011 0.000026 0.000012 -0.000007 27O 1px 0.000012 -0.000011 -0.000022 -0.000022 -0.000022 0.000016 27O 1py 0.000034 -0.000011 -0.000006 -0.000025 -0.000005 0.000029 27O 2pz 0.000220 -0.000018 -0.000027 -0.000110 -0.000044 0.000026 27O 2px 0.000099 0.000252 0.000108 0.000124 0.000139 -0.000068 27O 2py -0.000374 0.000031 0.000002 0.000100 0.000015 -0.000124 27O 3pz 0.000758 0.000086 -0.000021 -0.000523 -0.000083 0.000085 27O 3px 0.000476 0.000059 0.000525 -0.000235 0.000261 0.000155 27O 3py -0.001627 -0.000299 -0.000339 0.000478 -0.000044 -0.000485 27O 1dz2 0.000027 0.000000 0.000013 0.000015 0.000015 0.000008 27O 1dxz 0.000009 0.000001 -0.000015 -0.000012 0.000014 0.000002 27O 1dyz -0.000009 -0.000002 0.000003 -0.000022 -0.000005 0.000010 27O 1dx2y2 -0.000012 0.000002 -0.000009 -0.000014 0.000002 0.000020 27O 1dxy -0.000005 -0.000003 0.000005 0.000011 0.000019 -0.000018 27O 2dz2 -0.000123 0.000036 -0.000042 -0.000037 -0.000055 -0.000043 27O 2dxz 0.000040 0.000006 0.000072 0.000091 -0.000058 -0.000007 27O 2dyz -0.000148 0.000014 -0.000008 0.000095 0.000044 -0.000056 27O 2dx2y2 -0.000116 -0.000067 0.000038 0.000025 -0.000027 -0.000044 27O 2dxy -0.000090 0.000018 -0.000023 -0.000056 -0.000068 0.000098 27O 1f0 -0.000003 0.000004 -0.000013 0.000008 -0.000007 0.000003 27O 1f+1 -0.000008 -0.000000 -0.000004 -0.000005 -0.000021 0.000005 27O 1f-1 0.000021 -0.000003 0.000011 0.000004 0.000011 0.000004 27O 1f+2 0.000009 -0.000006 0.000010 -0.000012 0.000002 -0.000003 27O 1f-2 -0.000002 -0.000001 -0.000009 -0.000003 0.000004 0.000009 27O 1f+3 0.000009 -0.000009 0.000001 -0.000003 0.000009 0.000008 27O 1f-3 0.000011 -0.000010 0.000027 0.000001 0.000012 0.000005 28O 1s -0.000001 0.000001 -0.000000 0.000000 -0.000000 -0.000000 28O 2s 0.000015 -0.000003 0.000005 0.000001 0.000004 0.000003 28O 3s -0.000177 0.000051 -0.000073 0.000036 -0.000044 -0.000096 28O 4s 0.000550 0.000128 0.000479 0.000057 0.000041 0.000176 28O 5s -0.000047 -0.000201 -0.000855 -0.001405 0.000238 0.001418 28O 1pz -0.000012 0.000026 0.000012 0.000005 -0.000011 -0.000004 28O 1px -0.000021 -0.000003 0.000019 0.000023 -0.000034 -0.000004 28O 1py -0.000005 0.000010 0.000008 0.000010 -0.000006 0.000009 28O 2pz -0.000046 -0.000418 -0.000097 -0.000114 0.000044 -0.000028 28O 2px 0.000233 0.000178 -0.000005 -0.000097 0.000181 0.000175 28O 2py 0.000014 -0.000180 -0.000036 -0.000108 0.000026 0.000029 28O 3pz -0.000024 -0.001216 -0.000539 -0.000430 0.000247 0.000954 28O 3px 0.000125 0.000092 -0.000148 -0.000444 -0.000229 0.000387 28O 3py -0.000058 -0.000591 -0.000114 -0.000199 0.000288 0.000184 28O 1dz2 -0.000002 0.000007 0.000001 -0.000013 0.000008 -0.000023 28O 1dxz -0.000010 -0.000011 0.000024 0.000006 -0.000011 -0.000001 28O 1dyz -0.000008 -0.000007 0.000003 -0.000001 -0.000002 0.000005 28O 1dx2y2 -0.000006 0.000021 0.000009 0.000015 0.000006 -0.000027 28O 1dxy -0.000004 0.000007 0.000004 -0.000009 -0.000011 0.000016 28O 2dz2 -0.000006 -0.000124 0.000023 0.000007 -0.000054 0.000137 28O 2dxz -0.000015 -0.000097 -0.000108 -0.000059 0.000036 -0.000050 28O 2dyz 0.000046 -0.000103 -0.000025 -0.000095 0.000006 0.000042 28O 2dx2y2 0.000075 0.000029 -0.000039 -0.000018 0.000010 0.000136 28O 2dxy 0.000013 -0.000061 -0.000019 0.000016 0.000059 -0.000059 28O 1f0 0.000010 -0.000008 -0.000003 0.000006 0.000003 0.000035 28O 1f+1 -0.000010 0.000016 0.000001 -0.000011 -0.000005 -0.000010 28O 1f-1 0.000001 -0.000013 0.000006 0.000001 -0.000006 0.000006 28O 1f+2 -0.000005 -0.000016 -0.000000 -0.000002 -0.000003 0.000006 28O 1f-2 0.000000 0.000001 -0.000009 -0.000005 -0.000000 -0.000022 28O 1f+3 -0.000009 -0.000008 0.000004 0.000006 -0.000005 -0.000023 28O 1f-3 -0.000002 0.000012 -0.000003 -0.000005 -0.000004 -0.000004 29O 1s 0.000001 -0.000000 -0.000001 0.000000 -0.000001 -0.000000 29O 2s -0.000007 0.000002 0.000014 -0.000000 0.000009 0.000002 29O 3s 0.000058 -0.000015 -0.000099 0.000003 -0.000066 -0.000023 29O 4s 0.000043 0.000034 0.000167 -0.000002 -0.000078 0.000048 29O 5s -0.000621 -0.000024 -0.000339 0.000023 0.000765 -0.000032 29O 1pz -0.000000 -0.000003 -0.000014 0.000002 -0.000002 -0.000004 29O 1px -0.000046 0.000004 0.000028 -0.000008 0.000058 0.000005 29O 1py -0.000008 0.000002 -0.000030 -0.000006 0.000013 0.000002 29O 2pz 0.000023 0.000010 0.000053 -0.000007 0.000008 0.000016 29O 2px 0.000124 -0.000010 -0.000094 0.000025 -0.000156 -0.000010 29O 2py 0.000052 -0.000012 0.000087 0.000029 -0.000068 -0.000012 29O 3pz 0.000135 -0.000057 0.000124 -0.000018 -0.000230 -0.000068 29O 3px 0.000274 0.000002 -0.000260 -0.000018 -0.000367 -0.000016 29O 3py 0.000139 0.000002 0.000141 -0.000119 -0.000139 -0.000010 29O 1dz2 -0.000014 0.000000 0.000015 -0.000001 0.000028 0.000001 29O 1dxz -0.000005 0.000002 0.000028 -0.000002 -0.000020 0.000002 29O 1dyz 0.000030 -0.000001 -0.000008 -0.000001 -0.000011 0.000002 29O 1dx2y2 0.000033 -0.000002 -0.000039 0.000002 -0.000052 -0.000004 29O 1dxy 0.000016 -0.000001 0.000040 -0.000000 -0.000015 -0.000001 29O 2dz2 0.000034 0.000001 -0.000070 0.000002 -0.000092 -0.000003 29O 2dxz 0.000033 -0.000006 -0.000113 0.000004 0.000051 -0.000006 29O 2dyz -0.000119 0.000003 0.000015 0.000003 0.000056 -0.000008 29O 2dx2y2 -0.000128 0.000008 0.000157 -0.000009 0.000199 0.000014 29O 2dxy -0.000059 0.000002 -0.000112 0.000003 0.000060 -0.000000 29O 1f0 0.000006 -0.000001 -0.000008 -0.000000 -0.000006 -0.000002 29O 1f+1 -0.000007 0.000000 0.000005 -0.000000 0.000018 0.000001 29O 1f-1 0.000002 -0.000001 0.000006 0.000001 -0.000003 -0.000002 29O 1f+2 -0.000017 0.000001 0.000017 0.000001 0.000004 -0.000000 29O 1f-2 0.000010 0.000000 -0.000008 0.000000 -0.000007 0.000002 29O 1f+3 -0.000017 0.000001 0.000020 0.000000 0.000030 0.000003 29O 1f-3 -0.000008 0.000000 -0.000029 -0.000002 0.000012 -0.000001 30O 1s 0.000001 -0.000001 0.000000 0.000000 0.000000 -0.000000 30O 2s -0.000016 0.000004 -0.000004 -0.000003 -0.000003 0.000002 30O 3s 0.000191 -0.000133 0.000054 0.000041 0.000035 -0.000037 30O 4s -0.000604 0.000042 -0.000311 -0.000190 -0.000160 0.000134 30O 5s 0.000063 0.001657 0.000616 -0.000299 0.000429 0.000145 30O 1pz -0.000006 -0.000009 0.000005 -0.000008 -0.000006 -0.000009 30O 1px 0.000035 -0.000012 -0.000024 -0.000012 -0.000013 -0.000002 30O 1py -0.000014 0.000021 0.000008 0.000006 -0.000007 -0.000010 30O 2pz 0.000104 0.000222 0.000001 0.000128 0.000045 -0.000041 30O 2px -0.000304 0.000113 0.000063 -0.000091 0.000047 0.000100 30O 2py -0.000012 -0.000344 -0.000064 -0.000153 0.000028 0.000081 30O 3pz -0.000067 0.000942 0.000420 0.000300 -0.000029 0.000463 30O 3px 0.000104 0.000428 -0.000004 -0.000031 -0.000034 0.000094 30O 3py 0.000175 -0.001797 -0.000218 0.000142 -0.000373 0.000154 30O 1dz2 -0.000006 0.000017 -0.000000 -0.000001 0.000005 -0.000017 30O 1dxz 0.000002 0.000020 -0.000016 -0.000019 0.000004 -0.000028 30O 1dyz 0.000002 -0.000002 -0.000003 0.000001 -0.000008 0.000012 30O 1dx2y2 0.000000 -0.000002 -0.000009 -0.000016 0.000002 -0.000011 30O 1dxy -0.000016 -0.000017 0.000007 -0.000006 0.000009 -0.000013 30O 2dz2 0.000044 -0.000097 -0.000014 0.000011 -0.000023 0.000058 30O 2dxz 0.000042 0.000001 0.000066 0.000146 -0.000007 0.000066 30O 2dyz 0.000021 -0.000155 0.000022 -0.000001 0.000037 -0.000065 30O 2dx2y2 -0.000052 -0.000128 0.000047 0.000006 0.000002 0.000074 30O 2dxy 0.000034 -0.000053 -0.000039 -0.000060 -0.000038 0.000097 30O 1f0 -0.000005 -0.000004 0.000003 -0.000014 0.000002 0.000011 30O 1f+1 0.000003 -0.000007 -0.000004 0.000004 -0.000002 0.000009 30O 1f-1 -0.000002 -0.000000 -0.000001 -0.000002 0.000001 -0.000025 30O 1f+2 0.000011 -0.000017 0.000005 0.000017 0.000001 -0.000001 30O 1f-2 -0.000000 0.000026 -0.000003 -0.000014 0.000000 -0.000003 30O 1f+3 0.000015 -0.000026 -0.000001 0.000011 0.000000 -0.000019 30O 1f-3 0.000005 -0.000021 0.000001 0.000020 0.000001 -0.000010 31O 1s -0.000001 0.000001 0.000000 0.000000 0.000000 -0.000000 31O 2s 0.000004 -0.000016 -0.000003 -0.000004 -0.000002 0.000003 31O 3s -0.000137 0.000188 0.000043 0.000054 0.000038 -0.000035 31O 4s 0.000052 -0.000600 -0.000199 -0.000308 -0.000138 0.000161 31O 5s 0.001657 0.000083 -0.000276 0.000630 -0.000157 -0.000447 31O 1pz 0.000009 0.000006 0.000007 -0.000005 -0.000009 -0.000006 31O 1px 0.000012 -0.000035 0.000012 0.000023 -0.000002 -0.000014 31O 1py -0.000021 0.000014 -0.000007 -0.000008 -0.000010 -0.000007 31O 2pz -0.000221 -0.000108 -0.000124 0.000004 -0.000043 0.000044 31O 2px -0.000118 0.000303 0.000088 -0.000064 0.000102 0.000050 31O 2py 0.000345 0.000017 0.000151 0.000058 0.000081 0.000029 31O 3pz -0.000945 0.000055 -0.000298 -0.000406 0.000464 -0.000020 31O 3px -0.000428 -0.000109 0.000028 0.000000 0.000100 -0.000029 31O 3py 0.001800 -0.000148 -0.000157 0.000221 0.000161 -0.000371 31O 1dz2 0.000017 -0.000006 -0.000000 -0.000000 0.000017 -0.000005 31O 1dxz 0.000020 0.000003 -0.000019 -0.000015 0.000028 -0.000003 31O 1dyz -0.000002 0.000002 0.000001 -0.000003 -0.000012 0.000008 31O 1dx2y2 -0.000002 0.000000 -0.000016 -0.000008 0.000011 -0.000002 31O 1dxy -0.000017 -0.000016 -0.000005 0.000007 0.000013 -0.000009 31O 2dz2 -0.000098 0.000043 0.000010 -0.000014 -0.000058 0.000022 31O 2dxz 0.000001 0.000042 0.000147 0.000060 -0.000066 0.000006 31O 2dyz -0.000155 0.000018 0.000001 0.000022 0.000066 -0.000035 31O 2dx2y2 -0.000127 -0.000055 0.000009 0.000046 -0.000074 -0.000004 31O 2dxy -0.000054 0.000034 -0.000060 -0.000036 -0.000098 0.000037 31O 1f0 0.000004 0.000005 0.000014 -0.000004 0.000011 0.000003 31O 1f+1 0.000007 -0.000003 -0.000004 0.000004 0.000009 -0.000002 31O 1f-1 0.000000 0.000002 0.000002 0.000001 -0.000025 0.000001 31O 1f+2 0.000017 -0.000010 -0.000017 -0.000004 -0.000001 0.000001 31O 1f-2 -0.000026 -0.000000 0.000014 0.000002 -0.000003 0.000000 31O 1f+3 0.000026 -0.000014 -0.000012 0.000002 -0.000019 0.000000 31O 1f-3 0.000021 -0.000004 -0.000020 -0.000001 -0.000010 0.000001 32O 1s -0.000000 0.000001 -0.000000 -0.000001 0.000000 0.000001 32O 2s 0.000002 -0.000007 0.000000 0.000014 -0.000002 -0.000009 32O 3s -0.000017 0.000058 -0.000001 -0.000098 0.000022 0.000067 32O 4s 0.000034 0.000040 0.000003 0.000167 -0.000051 0.000071 32O 5s -0.000011 -0.000612 0.000009 -0.000344 0.000041 -0.000744 32O 1pz 0.000003 0.000000 -0.000001 0.000014 -0.000004 -0.000002 32O 1px -0.000005 0.000046 0.000006 -0.000028 0.000004 0.000057 32O 1py -0.000002 0.000007 0.000008 0.000029 0.000002 0.000013 32O 2pz -0.000010 -0.000021 0.000005 -0.000052 0.000016 0.000007 32O 2px 0.000012 -0.000122 -0.000021 0.000093 -0.000007 -0.000154 32O 2py 0.000013 -0.000051 -0.000033 -0.000086 -0.000012 -0.000066 32O 3pz 0.000058 -0.000129 0.000011 -0.000132 -0.000065 -0.000232 32O 3px 0.000002 -0.000273 0.000028 0.000254 -0.000009 -0.000366 32O 3py 0.000003 -0.000141 0.000113 -0.000146 -0.000010 -0.000141 32O 1dz2 0.000001 -0.000014 -0.000000 0.000014 -0.000000 -0.000029 32O 1dxz 0.000002 -0.000005 -0.000000 0.000028 -0.000002 0.000020 32O 1dyz -0.000001 0.000030 -0.000001 -0.000007 -0.000002 0.000012 32O 1dx2y2 -0.000003 0.000033 0.000001 -0.000038 0.000003 0.000052 32O 1dxy -0.000001 0.000015 0.000001 0.000040 0.000000 0.000015 32O 2dz2 0.000000 0.000037 -0.000001 -0.000070 0.000000 0.000095 32O 2dxz -0.000006 0.000033 -0.000000 -0.000113 0.000006 -0.000051 32O 2dyz 0.000005 -0.000119 0.000003 0.000011 0.000009 -0.000059 32O 2dx2y2 0.000010 -0.000127 -0.000003 0.000155 -0.000011 -0.000196 32O 2dxy 0.000003 -0.000057 -0.000002 -0.000113 0.000002 -0.000060 32O 1f0 0.000001 -0.000006 0.000000 0.000009 -0.000002 -0.000006 32O 1f+1 -0.000000 0.000008 -0.000000 -0.000005 0.000001 0.000018 32O 1f-1 0.000002 -0.000002 -0.000002 -0.000006 -0.000002 -0.000003 32O 1f+2 -0.000001 0.000017 -0.000001 -0.000016 -0.000000 0.000004 32O 1f-2 -0.000000 -0.000010 0.000000 0.000008 0.000002 -0.000007 32O 1f+3 -0.000002 0.000017 -0.000001 -0.000020 0.000003 0.000029 32O 1f-3 -0.000000 0.000008 0.000003 0.000029 -0.000001 0.000011 33O 1s 0.000001 -0.000001 0.000000 -0.000000 0.000000 0.000000 33O 2s -0.000003 0.000015 0.000001 0.000005 -0.000003 -0.000004 33O 3s 0.000054 -0.000175 0.000032 -0.000076 0.000095 0.000046 33O 4s 0.000121 0.000550 0.000077 0.000481 -0.000172 -0.000044 33O 5s -0.000197 -0.000052 -0.001444 -0.000795 -0.001418 -0.000265 33O 1pz -0.000026 0.000012 -0.000006 -0.000011 -0.000004 -0.000011 33O 1px 0.000002 0.000021 -0.000024 -0.000017 -0.000004 -0.000034 33O 1py -0.000010 0.000005 -0.000010 -0.000007 0.000009 -0.000005 33O 2pz 0.000419 0.000052 0.000113 0.000094 -0.000028 0.000043 33O 2px -0.000175 -0.000236 0.000100 -0.000001 0.000172 0.000184 33O 2py 0.000181 -0.000011 0.000107 0.000031 0.000029 0.000026 33O 3pz 0.001216 0.000038 0.000444 0.000518 0.000957 0.000259 33O 3px -0.000090 -0.000125 0.000453 0.000128 0.000388 -0.000221 33O 3py 0.000591 0.000067 0.000198 0.000105 0.000184 0.000291 33O 1dz2 0.000007 -0.000002 -0.000013 0.000001 0.000024 -0.000008 33O 1dxz -0.000011 -0.000010 0.000007 0.000023 0.000001 0.000011 33O 1dyz -0.000007 -0.000008 -0.000001 0.000003 -0.000005 0.000002 33O 1dx2y2 0.000021 -0.000005 0.000016 0.000008 0.000027 -0.000006 33O 1dxy 0.000007 -0.000004 -0.000009 0.000004 -0.000016 0.000011 33O 2dz2 -0.000124 -0.000009 0.000008 0.000023 -0.000138 0.000052 33O 2dxz -0.000098 -0.000015 -0.000063 -0.000105 0.000051 -0.000035 33O 2dyz -0.000104 0.000045 -0.000095 -0.000020 -0.000042 -0.000007 33O 2dx2y2 0.000029 0.000076 -0.000021 -0.000037 -0.000135 -0.000012 33O 2dxy -0.000061 0.000012 0.000016 -0.000019 0.000060 -0.000058 33O 1f0 0.000008 -0.000010 -0.000006 0.000003 0.000035 0.000004 33O 1f+1 -0.000016 0.000010 0.000011 -0.000001 -0.000010 -0.000005 33O 1f-1 0.000013 -0.000001 -0.000002 -0.000006 0.000006 -0.000005 33O 1f+2 0.000016 0.000006 0.000002 0.000000 0.000006 -0.000003 33O 1f-2 -0.000001 -0.000000 0.000005 0.000009 -0.000022 -0.000000 33O 1f+3 0.000008 0.000009 -0.000006 -0.000003 -0.000023 -0.000005 33O 1f-3 -0.000012 0.000002 0.000005 0.000003 -0.000004 -0.000004 34O 1s 0.000001 -0.000001 0.000000 -0.000000 0.000000 0.000000 34O 2s -0.000016 0.000002 -0.000004 0.000005 -0.000002 -0.000003 34O 3s 0.000197 -0.000112 0.000033 -0.000048 0.000012 0.000009 34O 4s -0.000763 -0.000058 0.000167 0.000158 0.000170 -0.000040 34O 5s 0.000477 0.002240 -0.000940 -0.000867 -0.000568 0.000716 34O 1pz 0.000001 0.000016 -0.000026 -0.000010 -0.000007 0.000012 34O 1px 0.000012 -0.000012 0.000023 0.000021 0.000017 -0.000021 34O 1py 0.000012 -0.000034 0.000026 0.000005 0.000029 -0.000004 34O 2pz 0.000022 -0.000219 0.000111 0.000020 0.000026 -0.000043 34O 2px -0.000251 -0.000103 -0.000126 -0.000105 -0.000071 0.000136 34O 2py -0.000037 0.000374 -0.000101 0.000007 -0.000123 0.000013 34O 3pz -0.000069 -0.000756 0.000524 -0.000011 0.000084 -0.000076 34O 3px -0.000048 -0.000468 0.000216 -0.000543 0.000144 0.000270 34O 3py 0.000268 0.001624 -0.000468 0.000371 -0.000482 -0.000059 34O 1dz2 -0.000000 0.000027 0.000016 0.000012 -0.000008 -0.000015 34O 1dxz 0.000001 0.000010 -0.000012 -0.000015 -0.000001 -0.000014 34O 1dyz -0.000002 -0.000009 -0.000022 0.000004 -0.000010 0.000005 34O 1dx2y2 0.000002 -0.000012 -0.000015 -0.000008 -0.000019 -0.000002 34O 1dxy -0.000003 -0.000005 0.000012 0.000004 0.000018 -0.000018 34O 2dz2 0.000037 -0.000122 -0.000039 -0.000040 0.000042 0.000056 34O 2dxz 0.000006 0.000040 0.000094 0.000069 0.000006 0.000058 34O 2dyz 0.000017 -0.000147 0.000095 -0.000014 0.000056 -0.000043 34O 2dx2y2 -0.000065 -0.000117 0.000027 0.000036 0.000043 0.000027 34O 2dxy 0.000019 -0.000089 -0.000057 -0.000022 -0.000098 0.000067 34O 1f0 -0.000004 0.000003 -0.000007 0.000013 0.000003 -0.000007 34O 1f+1 0.000000 0.000008 0.000005 0.000004 0.000006 -0.000021 34O 1f-1 0.000003 -0.000021 -0.000004 -0.000011 0.000003 0.000011 34O 1f+2 0.000006 -0.000009 0.000011 -0.000011 -0.000003 0.000002 34O 1f-2 0.000001 0.000002 0.000004 0.000009 0.000009 0.000004 34O 1f+3 0.000009 -0.000009 0.000003 -0.000001 0.000008 0.000009 34O 1f-3 0.000010 -0.000010 -0.000002 -0.000027 0.000005 0.000012 35O 1s -0.000001 0.000001 -0.000000 0.000000 -0.000000 -0.000000 35O 2s 0.000014 -0.000003 0.000004 -0.000003 0.000005 -0.000003 35O 3s -0.000161 0.000067 -0.000043 0.000080 -0.000073 -0.000027 35O 4s 0.000383 0.000050 0.000043 -0.000125 0.000516 -0.000085 35O 5s 0.000390 -0.000164 0.000382 -0.000901 -0.001231 0.002021 35O 1pz 0.000034 -0.000017 0.000019 0.000001 -0.000015 0.000022 35O 1px -0.000022 -0.000019 -0.000024 -0.000001 0.000022 -0.000027 35O 1py 0.000002 -0.000007 0.000007 -0.000009 -0.000015 -0.000003 35O 2pz -0.000144 0.000246 -0.000082 0.000102 0.000048 -0.000166 35O 2px 0.000241 0.000276 0.000154 -0.000066 -0.000037 0.000130 35O 2py 0.000053 0.000238 -0.000017 0.000054 0.000082 -0.000039 35O 3pz -0.000197 0.001169 -0.000375 0.000511 0.000517 -0.000516 35O 3px 0.000061 0.000798 -0.000263 0.000043 -0.000049 0.000449 35O 3py -0.000235 0.000671 -0.000034 0.000772 0.000463 -0.000049 35O 1dz2 -0.000013 0.000005 -0.000020 -0.000026 0.000007 -0.000007 35O 1dxz 0.000014 0.000006 0.000011 0.000007 -0.000015 0.000000 35O 1dyz -0.000013 -0.000010 0.000004 0.000013 0.000014 0.000012 35O 1dx2y2 0.000002 0.000023 0.000002 0.000008 -0.000003 -0.000021 35O 1dxy 0.000009 0.000024 0.000003 -0.000005 -0.000019 0.000008 35O 2dz2 0.000017 -0.000152 0.000059 0.000085 -0.000031 0.000094 35O 2dxz -0.000079 -0.000068 -0.000074 -0.000051 0.000071 0.000029 35O 2dyz 0.000058 -0.000091 -0.000015 -0.000112 -0.000056 0.000043 35O 2dx2y2 0.000053 0.000012 0.000018 -0.000044 -0.000021 0.000067 35O 2dxy 0.000009 -0.000064 0.000000 -0.000022 0.000089 -0.000011 35O 1f0 0.000008 -0.000005 0.000002 -0.000030 0.000002 -0.000016 35O 1f+1 -0.000006 -0.000002 -0.000001 0.000015 -0.000000 -0.000012 35O 1f-1 -0.000002 -0.000000 -0.000001 -0.000013 -0.000002 -0.000002 35O 1f+2 -0.000010 0.000021 -0.000009 0.000006 -0.000003 -0.000003 35O 1f-2 -0.000003 0.000024 -0.000001 0.000014 -0.000007 0.000012 35O 1f+3 -0.000009 0.000006 -0.000002 0.000014 0.000011 0.000011 35O 1f-3 -0.000006 -0.000025 -0.000004 -0.000004 0.000003 -0.000003 36 37 38 39 40 41 -11.33339 -11.33329 -10.24113 -10.24105 -10.24095 -10.24093 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s 0.000051 0.000003 0.000000 -0.000000 -0.000001 0.000000 0Rh 2s -0.000266 0.000014 0.000005 -0.000003 -0.000006 0.000003 0Rh 3s 0.000087 0.000025 0.000006 -0.000004 -0.000007 0.000003 0Rh 4s 0.000594 -0.000080 -0.000016 0.000009 0.000020 -0.000007 0Rh 5s -0.000455 0.000255 -0.000002 0.000016 -0.000006 -0.000021 0Rh 6s 0.000455 -0.000631 0.000091 -0.000107 -0.000080 0.000121 0Rh 7s -0.001867 0.002444 -0.000312 0.000461 0.000352 -0.000424 0Rh 8s 0.001079 0.000552 -0.000471 0.000388 0.000383 -0.000515 0Rh 1pz 0.000013 0.000004 0.000003 0.000004 -0.000002 -0.000003 0Rh 1px -0.000180 -0.000009 0.000001 0.000000 -0.000002 -0.000001 0Rh 1py -0.000007 -0.000002 0.000003 0.000003 0.000003 0.000004 0Rh 2pz -0.000045 -0.000022 -0.000016 -0.000019 0.000010 0.000012 0Rh 2px 0.000470 0.000037 -0.000006 -0.000002 0.000009 0.000004 0Rh 2py 0.000023 0.000012 -0.000012 -0.000013 -0.000017 -0.000019 0Rh 3pz 0.000124 0.000132 0.000100 0.000119 -0.000061 -0.000077 0Rh 3px -0.000139 -0.000201 0.000038 0.000011 -0.000053 -0.000027 0Rh 3py -0.000069 -0.000073 0.000077 0.000077 0.000103 0.000118 0Rh 4pz -0.000184 -0.000348 -0.000263 -0.000310 0.000158 0.000202 0Rh 4px 0.000112 0.000607 -0.000101 -0.000028 0.000138 0.000070 0Rh 4py 0.000100 0.000191 -0.000202 -0.000200 -0.000269 -0.000308 0Rh 5pz 0.000255 0.000428 0.000347 0.000407 -0.000211 -0.000266 0Rh 5px 0.000025 -0.000901 0.000135 0.000049 -0.000171 -0.000090 0Rh 5py -0.000115 -0.000225 0.000266 0.000265 0.000357 0.000408 0Rh 6pz -0.001169 0.001159 0.000018 0.000077 0.000060 -0.000074 0Rh 6px -0.000967 -0.001291 -0.000221 -0.000198 -0.000132 -0.000226 0Rh 6py -0.000046 -0.000768 0.000083 0.000056 -0.000157 0.000089 0Rh 1dz2 -0.384604 -0.007561 0.000000 -0.000001 0.000002 -0.000001 0Rh 1dxz -0.048271 -0.001095 0.000001 0.000002 -0.000000 -0.000001 0Rh 1dyz -0.012137 -0.000280 0.000003 -0.000003 0.000002 -0.000003 0Rh 1dx2y2 0.681821 0.013480 0.000001 -0.000001 -0.000001 -0.000000 0Rh 1dxy 0.001355 0.000119 0.000002 -0.000000 0.000002 0.000001 0Rh 2dz2 -0.140995 -0.002792 -0.000000 0.000008 -0.000014 0.000007 0Rh 2dxz -0.017900 -0.000429 -0.000004 -0.000014 -0.000000 0.000009 0Rh 2dyz -0.004564 -0.000108 -0.000019 0.000017 -0.000015 0.000021 0Rh 2dx2y2 0.249959 0.004981 -0.000010 0.000009 0.000010 0.000002 0Rh 2dxy 0.000612 0.000061 -0.000015 0.000001 -0.000014 -0.000003 0Rh 3dz2 -0.027505 -0.000485 0.000000 -0.000021 0.000039 -0.000020 0Rh 3dxz -0.003632 -0.000016 0.000009 0.000040 0.000003 -0.000025 0Rh 3dyz -0.000940 -0.000013 0.000052 -0.000045 0.000042 -0.000058 0Rh 3dx2y2 0.048758 0.000855 0.000030 -0.000029 -0.000029 -0.000001 0Rh 3dxy 0.000173 -0.000031 0.000042 -0.000005 0.000037 0.000009 0Rh 4dz2 0.003316 -0.000053 0.000011 0.000017 -0.000074 0.000041 0Rh 4dxz 0.000829 -0.000090 0.000000 -0.000084 -0.000023 0.000058 0Rh 4dyz 0.000239 -0.000001 -0.000081 0.000061 -0.000067 0.000090 0Rh 4dx2y2 -0.005854 0.000104 -0.000072 0.000072 0.000076 -0.000022 0Rh 4dxy -0.000205 0.000064 -0.000073 0.000011 -0.000053 -0.000025 0Rh 5dz2 -0.002544 -0.000086 -0.000119 0.000189 0.000026 -0.000024 0Rh 5dxz -0.001313 -0.000359 -0.000121 0.000114 0.000146 -0.000125 0Rh 5dyz -0.000432 -0.000130 -0.000142 0.000225 -0.000119 0.000170 0Rh 5dx2y2 0.004456 0.000261 0.000153 -0.000173 -0.000209 0.000216 0Rh 5dxy 0.000488 0.000176 -0.000022 0.000016 -0.000121 0.000108 0Rh 1f0 -0.000013 -0.000059 -0.000006 0.000013 0.000008 0.000019 0Rh 1f+1 0.000022 0.000014 0.000018 -0.000005 0.000005 -0.000008 0Rh 1f-1 -0.000004 0.000006 0.000016 0.000036 -0.000007 0.000015 0Rh 1f+2 0.000022 0.000061 -0.000017 -0.000011 0.000007 0.000028 0Rh 1f-2 0.000001 0.000034 0.000031 -0.000013 0.000034 -0.000002 0Rh 1f+3 0.000031 0.000058 0.000005 0.000003 -0.000020 -0.000009 0Rh 1f-3 0.000010 0.000050 -0.000006 0.000014 -0.000008 0.000022 1Rh 1s -0.000001 -0.000051 0.000000 -0.000000 -0.000000 0.000001 1Rh 2s -0.000025 0.000267 0.000003 -0.000005 -0.000003 0.000006 1Rh 3s -0.000021 -0.000088 0.000004 -0.000006 -0.000003 0.000007 1Rh 4s 0.000103 -0.000595 -0.000009 0.000017 0.000008 -0.000020 1Rh 5s -0.000271 0.000447 -0.000015 0.000001 0.000021 0.000008 1Rh 6s 0.000646 -0.000430 0.000108 -0.000089 -0.000124 0.000074 1Rh 7s -0.002505 0.001771 -0.000466 0.000302 0.000437 -0.000330 1Rh 8s -0.000511 -0.001093 -0.000395 0.000464 0.000529 -0.000365 1Rh 1pz 0.000004 0.000014 0.000004 0.000003 -0.000002 -0.000002 1Rh 1px -0.000002 -0.000182 0.000000 0.000001 -0.000001 -0.000002 1Rh 1py -0.000002 -0.000007 0.000003 0.000003 0.000004 0.000003 1Rh 2pz -0.000020 -0.000049 -0.000019 -0.000016 0.000012 0.000010 1Rh 2px 0.000019 0.000474 -0.000002 -0.000006 0.000004 0.000009 1Rh 2py 0.000011 0.000025 -0.000012 -0.000012 -0.000019 -0.000017 1Rh 3pz 0.000128 0.000128 0.000118 0.000102 -0.000074 -0.000065 1Rh 3px -0.000194 -0.000147 0.000010 0.000038 -0.000025 -0.000054 1Rh 3py -0.000070 -0.000072 0.000077 0.000077 0.000115 0.000107 1Rh 4pz -0.000341 -0.000196 -0.000308 -0.000266 0.000193 0.000168 1Rh 4px 0.000598 0.000136 -0.000027 -0.000100 0.000064 0.000141 1Rh 4py 0.000186 0.000106 -0.000199 -0.000203 -0.000300 -0.000278 1Rh 5pz 0.000417 0.000269 0.000404 0.000351 -0.000255 -0.000224 1Rh 5px -0.000896 -0.000011 0.000047 0.000135 -0.000083 -0.000175 1Rh 5py -0.000219 -0.000123 0.000263 0.000267 0.000396 0.000369 1Rh 6pz 0.001209 -0.001116 0.000074 0.000017 -0.000075 0.000062 1Rh 6px -0.001240 -0.001020 -0.000193 -0.000219 -0.000221 -0.000138 1Rh 6py -0.000766 -0.000077 0.000052 0.000078 0.000092 -0.000156 1Rh 1dz2 -0.007602 0.382491 0.000001 -0.000000 0.000001 -0.000002 1Rh 1dxz -0.000903 0.052886 -0.000002 -0.000001 0.000001 0.000000 1Rh 1dyz -0.000222 0.013303 0.000003 -0.000003 0.000003 -0.000002 1Rh 1dx2y2 0.013491 -0.682632 0.000001 -0.000001 0.000000 0.000001 1Rh 1dxy -0.000028 -0.003260 0.000000 -0.000002 -0.000000 -0.000002 1Rh 2dz2 -0.002767 0.140226 -0.000008 0.000000 -0.000007 0.000013 1Rh 2dxz -0.000311 0.019591 0.000014 0.000004 -0.000009 -0.000000 1Rh 2dyz -0.000080 0.004991 -0.000017 0.000019 -0.000022 0.000014 1Rh 2dx2y2 0.004907 -0.250267 -0.000010 0.000010 -0.000001 -0.000010 1Rh 2dxy -0.000023 -0.001311 -0.000002 0.000015 0.000003 0.000014 1Rh 3dz2 -0.000600 0.027351 0.000020 -0.000000 0.000022 -0.000038 1Rh 3dxz -0.000134 0.003956 -0.000040 -0.000009 0.000025 -0.000002 1Rh 3dyz -0.000026 0.001022 0.000045 -0.000052 0.000060 -0.000040 1Rh 3dx2y2 0.001074 -0.048807 0.000029 -0.000030 0.000000 0.000029 1Rh 3dxy 0.000040 -0.000307 0.000005 -0.000042 -0.000008 -0.000038 1Rh 4dz2 0.000184 -0.003296 -0.000016 -0.000011 -0.000044 0.000073 1Rh 4dxz 0.000123 -0.000862 0.000084 0.000001 -0.000059 0.000021 1Rh 4dyz 0.000010 -0.000247 -0.000061 0.000082 -0.000092 0.000063 1Rh 4dx2y2 -0.000335 0.005854 -0.000073 0.000072 0.000025 -0.000075 1Rh 4dxy -0.000072 0.000219 -0.000012 0.000073 0.000024 0.000054 1Rh 5dz2 -0.000016 0.002540 -0.000189 0.000117 0.000025 -0.000025 1Rh 5dxz 0.000306 0.001351 -0.000116 0.000119 0.000130 -0.000141 1Rh 5dyz 0.000114 0.000441 -0.000225 0.000139 -0.000174 0.000113 1Rh 5dx2y2 -0.000082 -0.004473 0.000176 -0.000151 -0.000223 0.000201 1Rh 5dxy -0.000156 -0.000508 -0.000015 0.000022 -0.000111 0.000116 1Rh 1f0 -0.000059 -0.000015 0.000013 -0.000006 0.000018 0.000009 1Rh 1f+1 0.000013 0.000023 -0.000005 0.000018 -0.000009 0.000005 1Rh 1f-1 0.000007 -0.000004 0.000035 0.000016 0.000016 -0.000007 1Rh 1f+2 0.000060 0.000025 -0.000011 -0.000017 0.000028 0.000008 1Rh 1f-2 0.000034 0.000003 -0.000014 0.000031 -0.000003 0.000034 1Rh 1f+3 0.000056 0.000033 0.000003 0.000005 -0.000008 -0.000020 1Rh 1f-3 0.000050 0.000012 0.000014 -0.000006 0.000022 -0.000007 2C 1s 0.000000 -0.000000 0.000337 0.000002 -0.000003 0.000002 2C 2s -0.000001 0.000000 0.000548 0.000000 0.000001 0.000000 2C 3s -0.000182 0.000029 -0.000362 0.000089 -0.000200 0.000151 2C 4s 0.001019 -0.000031 0.005052 -0.000438 0.001092 -0.000883 2C 5s -0.000429 -0.001679 -0.005673 -0.001893 -0.000176 -0.000540 2C 1pz -0.000028 0.000019 0.000010 0.000016 -0.000014 0.000019 2C 1px -0.000016 0.000004 0.000030 0.000003 -0.000001 0.000005 2C 1py -0.000009 0.000010 0.000006 0.000010 -0.000014 0.000006 2C 2pz 0.000695 -0.000120 0.002124 -0.000241 0.000413 -0.000463 2C 2px 0.000113 -0.000142 -0.000008 -0.000036 0.000059 -0.000107 2C 2py 0.000330 -0.000091 0.001422 -0.000162 0.000368 -0.000218 2C 3pz -0.000067 -0.000375 -0.001798 -0.000490 0.000165 0.000029 2C 3px 0.000156 0.000196 -0.000853 -0.000090 0.000068 0.000109 2C 3py 0.000043 -0.000328 -0.001168 -0.000333 -0.000256 -0.000299 2C 1dz2 0.000013 0.000004 -0.000109 -0.000003 -0.000000 -0.000021 2C 1dxz -0.000007 -0.000012 -0.000071 -0.000002 0.000009 -0.000007 2C 1dyz 0.000012 0.000004 -0.000127 -0.000005 0.000022 -0.000008 2C 1dx2y2 -0.000019 -0.000004 0.000084 0.000003 -0.000016 0.000003 2C 1dxy -0.000012 -0.000007 -0.000007 -0.000001 -0.000007 -0.000009 2C 2dz2 0.000167 -0.000019 0.000049 -0.000048 0.000116 -0.000062 2C 2dxz 0.000045 0.000040 0.000416 -0.000031 0.000040 -0.000028 2C 2dyz 0.000247 -0.000090 -0.000301 -0.000066 0.000120 -0.000134 2C 2dx2y2 -0.000027 0.000006 -0.000411 0.000030 -0.000019 0.000050 2C 2dxy 0.000105 -0.000005 -0.000136 -0.000011 0.000032 -0.000015 2C 1f0 0.000011 0.000000 -0.000091 -0.000003 0.000004 -0.000013 2C 1f+1 0.000013 -0.000007 -0.000186 -0.000007 0.000010 -0.000020 2C 1f-1 0.000035 0.000000 -0.000470 -0.000008 0.000021 -0.000017 2C 1f+2 -0.000022 0.000008 0.000246 0.000008 -0.000026 0.000012 2C 1f-2 0.000010 -0.000002 -0.000099 -0.000007 0.000012 -0.000009 2C 1f+3 -0.000005 0.000002 -0.000136 0.000001 0.000001 0.000001 2C 1f-3 0.000006 -0.000006 -0.000115 -0.000003 0.000011 -0.000006 3C 1s 0.000001 0.000000 -0.000001 0.000002 -0.000338 -0.000007 3C 2s -0.000003 -0.000002 -0.000005 0.000010 -0.000550 -0.000008 3C 3s -0.000348 -0.000038 0.000152 -0.000211 0.000359 -0.000077 3C 4s 0.002065 0.000436 -0.000930 0.001186 -0.005028 0.000331 3C 5s -0.001405 -0.001977 -0.000620 -0.000341 0.005713 0.001980 3C 1pz -0.000021 0.000005 0.000005 -0.000013 0.000009 -0.000008 3C 1px -0.000021 0.000002 0.000005 -0.000005 -0.000022 -0.000007 3C 1py 0.000042 -0.000012 -0.000020 0.000014 0.000018 0.000016 3C 2pz 0.000700 0.000120 -0.000206 0.000362 -0.001462 0.000116 3C 2px 0.000384 0.000016 -0.000149 0.000174 -0.000526 0.000080 3C 2py -0.001255 -0.000142 0.000501 -0.000439 0.001996 -0.000192 3C 3pz -0.000070 -0.000294 -0.000317 -0.000270 0.000733 0.000322 3C 3px 0.000098 -0.000055 -0.000062 -0.000072 0.000967 0.000173 3C 3py 0.000255 0.000474 -0.000067 -0.000149 -0.001955 -0.000518 3C 1dz2 0.000001 -0.000002 0.000015 0.000016 -0.000005 -0.000000 3C 1dxz 0.000011 -0.000000 -0.000005 0.000010 0.000071 0.000003 3C 1dyz -0.000024 -0.000009 0.000009 -0.000013 -0.000100 -0.000006 3C 1dx2y2 -0.000036 -0.000010 0.000014 -0.000009 -0.000132 -0.000005 3C 1dxy -0.000002 0.000002 0.000006 -0.000013 -0.000089 -0.000004 3C 2dz2 -0.000095 -0.000000 -0.000001 -0.000054 -0.000169 -0.000011 3C 2dxz 0.000134 0.000038 -0.000052 0.000036 -0.000285 0.000022 3C 2dyz -0.000467 -0.000017 0.000117 -0.000104 -0.000432 -0.000058 3C 2dx2y2 -0.000234 -0.000035 0.000072 -0.000106 0.000317 -0.000047 3C 2dxy -0.000228 -0.000050 0.000070 -0.000069 0.000113 -0.000039 3C 1f0 -0.000028 -0.000006 0.000000 -0.000004 -0.000287 -0.000005 3C 1f+1 0.000011 -0.000002 -0.000003 0.000009 0.000037 0.000004 3C 1f-1 -0.000013 0.000001 -0.000008 -0.000005 -0.000100 0.000000 3C 1f+2 -0.000057 -0.000004 0.000009 -0.000016 -0.000246 -0.000011 3C 1f-2 -0.000042 -0.000007 0.000012 -0.000020 -0.000262 -0.000013 3C 1f+3 0.000035 0.000010 -0.000018 0.000011 0.000314 0.000012 3C 1f-3 -0.000031 -0.000000 0.000015 -0.000006 -0.000213 -0.000008 4C 1s 0.000002 -0.000001 0.467691 0.001901 -0.002552 0.002210 4C 2s -0.000013 0.000006 0.609112 0.002483 -0.003345 0.002899 4C 3s 0.000489 -0.000251 0.030930 0.000004 0.000184 -0.000154 4C 4s -0.002234 0.001342 -0.011647 0.000415 -0.001344 0.001086 4C 5s -0.000378 0.000843 0.011671 -0.000231 0.002026 -0.001708 4C 1pz -0.000002 -0.000036 0.000569 -0.000003 -0.000025 -0.000015 4C 1px 0.000006 0.000014 0.000113 -0.000006 -0.000019 -0.000011 4C 1py 0.000005 -0.000009 0.000401 -0.000006 0.000029 0.000033 4C 2pz 0.000343 0.000475 0.004856 -0.000107 0.000264 -0.000090 4C 2px -0.000452 -0.000486 0.000734 0.000119 0.000199 0.000021 4C 2py 0.000032 0.000093 0.003185 -0.000011 -0.000025 -0.000276 4C 3pz -0.000588 -0.000578 -0.001386 -0.001845 0.001029 -0.001639 4C 3px -0.000529 -0.000174 -0.000310 -0.000292 0.000199 -0.000404 4C 3py -0.000463 -0.000287 -0.000930 -0.001220 0.001222 -0.000662 4C 1dz2 0.000009 -0.000005 -0.000139 -0.000009 0.000027 -0.000004 4C 1dxz 0.000021 -0.000014 -0.000659 -0.000014 0.000038 -0.000023 4C 1dyz 0.000018 0.000015 0.000666 0.000008 -0.000016 -0.000000 4C 1dx2y2 -0.000031 0.000015 0.001125 0.000026 -0.000039 0.000053 4C 1dxy -0.000008 0.000012 0.000691 0.000016 -0.000019 0.000020 4C 2dz2 -0.000027 0.000217 -0.001966 0.000090 -0.000231 0.000181 4C 2dxz -0.000379 -0.000250 -0.002324 0.000140 -0.000155 0.000166 4C 2dyz -0.000461 0.000110 -0.001088 0.000086 -0.000198 0.000210 4C 2dx2y2 0.000011 0.000013 0.003268 -0.000140 0.000198 -0.000251 4C 2dxy -0.000297 -0.000228 0.000943 -0.000005 0.000021 -0.000030 4C 1f0 0.000032 -0.000010 -0.000545 -0.000002 0.000012 -0.000006 4C 1f+1 0.000028 -0.000019 -0.001206 -0.000002 0.000023 -0.000014 4C 1f-1 0.000044 0.000005 -0.000245 -0.000021 0.000031 -0.000028 4C 1f+2 -0.000035 0.000031 0.001016 0.000005 -0.000028 0.000021 4C 1f-2 -0.000005 -0.000038 -0.000075 -0.000004 0.000012 -0.000011 4C 1f+3 0.000027 0.000003 0.000110 -0.000006 0.000004 -0.000001 4C 1f-3 0.000063 0.000002 -0.001024 -0.000004 0.000010 -0.000011 5C 1s 0.000004 -0.000000 -0.002534 0.004747 -0.467596 -0.008649 5C 2s -0.000024 0.000002 -0.003279 0.006161 -0.608989 -0.011271 5C 3s 0.000788 -0.000226 -0.000472 0.000674 -0.030924 -0.000465 5C 4s -0.003413 0.001401 0.001208 -0.001587 0.011649 -0.000181 5C 5s -0.000027 0.001516 -0.001889 0.002124 -0.011644 0.000032 5C 1pz -0.000015 -0.000037 0.000030 0.000036 -0.000355 -0.000000 5C 1px -0.000004 0.000018 0.000003 0.000008 -0.000218 -0.000003 5C 1py 0.000026 0.000049 0.000023 0.000020 0.000563 0.000003 5C 2pz 0.000589 0.000573 -0.000307 -0.000017 -0.002895 -0.000024 5C 2px -0.000347 -0.000295 -0.000081 0.000042 -0.001687 0.000033 5C 2py -0.000832 -0.000763 0.000142 -0.000374 0.004771 0.000014 5C 3pz -0.000697 -0.000409 -0.000603 0.001055 0.000835 0.001078 5C 3px -0.000905 -0.000410 -0.000480 0.000581 0.000636 0.000715 5C 3py 0.001093 0.000677 0.001738 -0.000943 -0.001371 -0.001819 5C 1dz2 -0.000000 -0.000011 -0.000030 0.000002 0.000839 0.000027 5C 1dxz 0.000042 -0.000009 -0.000027 0.000014 0.000637 0.000025 5C 1dyz -0.000021 -0.000032 -0.000001 0.000013 0.000902 0.000027 5C 1dx2y2 -0.000049 -0.000004 0.000025 -0.000037 -0.000845 -0.000033 5C 1dxy -0.000037 -0.000001 0.000011 -0.000012 -0.000050 -0.000006 5C 2dz2 0.000405 0.000007 0.000091 -0.000015 0.001316 -0.000027 5C 2dxz -0.000400 -0.000215 0.000227 -0.000194 0.002279 -0.000065 5C 2dyz 0.000562 -0.000057 -0.000140 0.000136 -0.000244 0.000040 5C 2dx2y2 0.000161 0.000069 -0.000321 0.000316 -0.003487 0.000119 5C 2dxy 0.000738 0.000320 -0.000207 0.000212 -0.001594 0.000054 5C 1f0 -0.000031 -0.000018 0.000016 -0.000021 0.000412 -0.000006 5C 1f+1 0.000061 -0.000003 0.000000 -0.000003 0.000799 0.000009 5C 1f-1 -0.000018 -0.000009 0.000003 -0.000003 -0.000067 -0.000002 5C 1f+2 -0.000029 -0.000008 0.000020 -0.000018 -0.000173 -0.000014 5C 1f-2 -0.000035 0.000038 0.000011 -0.000012 -0.000890 -0.000022 5C 1f+3 0.000115 -0.000027 -0.000010 0.000015 0.000982 0.000023 5C 1f-3 -0.000075 0.000005 0.000003 -0.000008 -0.001138 -0.000018 6C 1s 0.000000 -0.000004 -0.002278 0.004079 -0.008597 0.467604 6C 2s -0.000002 0.000023 -0.002946 0.005290 -0.011189 0.609001 6C 3s 0.000257 -0.000778 -0.000513 0.000572 -0.000675 0.030921 6C 4s -0.001544 0.003354 0.001530 -0.001234 0.000608 -0.011637 6C 5s -0.001537 -0.000026 -0.002067 0.001907 -0.000460 0.011630 6C 1pz -0.000037 -0.000017 0.000034 0.000029 0.000013 -0.000356 6C 1px 0.000018 -0.000003 0.000007 0.000002 0.000005 -0.000218 6C 1py 0.000048 0.000028 0.000023 0.000025 -0.000018 0.000563 6C 2pz 0.000560 0.000608 -0.000031 -0.000318 0.000080 -0.002893 6C 2px -0.000286 -0.000363 0.000033 -0.000087 0.000097 -0.001683 6C 2py -0.000744 -0.000854 -0.000348 0.000157 -0.000161 0.004772 6C 3pz -0.000380 -0.000705 0.001062 -0.000603 0.001040 0.000865 6C 3px -0.000380 -0.000913 0.000588 -0.000478 0.000689 0.000661 6C 3py 0.000629 0.001106 -0.000962 0.001742 -0.001750 -0.001436 6C 1dz2 0.000011 0.000001 -0.000007 0.000027 0.000004 -0.000840 6C 1dxz 0.000011 -0.000041 -0.000018 0.000025 -0.000001 -0.000638 6C 1dyz 0.000032 0.000022 -0.000018 -0.000002 0.000006 -0.000902 6C 1dx2y2 0.000003 0.000049 0.000042 -0.000022 0.000002 0.000846 6C 1dxy -0.000001 0.000036 0.000012 -0.000011 0.000004 0.000049 6C 2dz2 0.000011 -0.000405 0.000009 -0.000095 0.000075 -0.001313 6C 2dxz 0.000203 0.000407 0.000184 -0.000234 0.000148 -0.002279 6C 2dyz 0.000076 -0.000556 -0.000135 0.000140 -0.000049 0.000243 6C 2dx2y2 -0.000069 -0.000161 -0.000299 0.000332 -0.000246 0.003482 6C 2dxy -0.000296 -0.000749 -0.000205 0.000212 -0.000112 0.001592 6C 1f0 -0.000017 -0.000032 -0.000019 0.000017 -0.000021 0.000411 6C 1f+1 -0.000006 0.000061 0.000001 0.000003 -0.000020 0.000799 6C 1f-1 -0.000008 -0.000019 -0.000003 0.000003 0.000000 -0.000067 6C 1f+2 -0.000007 -0.000029 -0.000019 0.000020 -0.000008 -0.000173 6C 1f-2 0.000040 -0.000034 -0.000017 0.000008 0.000011 -0.000890 6C 1f+3 -0.000032 0.000114 0.000020 -0.000007 -0.000014 0.000982 6C 1f-3 0.000008 -0.000074 -0.000014 -0.000001 0.000024 -0.001138 7C 1s 0.000001 -0.000002 0.001857 -0.467661 -0.004827 0.003995 7C 2s -0.000006 0.000013 0.002411 -0.609073 -0.006308 0.005224 7C 3s 0.000267 -0.000484 0.000241 -0.030929 -0.000005 -0.000077 7C 4s -0.001416 0.002207 -0.000497 0.011647 -0.001082 0.001258 7C 5s -0.000857 0.000365 0.000309 -0.011681 0.001734 -0.001902 7C 1pz -0.000036 -0.000003 -0.000007 0.000568 -0.000011 -0.000027 7C 1px 0.000014 0.000007 -0.000007 0.000113 -0.000010 -0.000019 7C 1py -0.000010 0.000005 -0.000009 0.000401 0.000034 0.000029 7C 2pz 0.000468 0.000356 -0.000144 0.004853 -0.000071 0.000244 7C 2px -0.000467 -0.000484 0.000114 0.000724 0.000018 0.000198 7C 2py 0.000097 0.000031 -0.000037 0.003201 -0.000258 -0.000043 7C 3pz -0.000564 -0.000608 -0.001817 -0.001376 -0.001674 0.001001 7C 3px -0.000154 -0.000538 -0.000286 -0.000309 -0.000411 0.000191 7C 3py -0.000278 -0.000475 -0.001204 -0.000936 -0.000706 0.001218 7C 1dz2 0.000005 -0.000009 0.000008 0.000143 0.000005 -0.000027 7C 1dxz 0.000015 -0.000020 0.000008 0.000660 0.000028 -0.000040 7C 1dyz -0.000014 -0.000019 -0.000002 -0.000668 -0.000004 0.000018 7C 1dx2y2 -0.000016 0.000030 -0.000017 -0.001122 -0.000061 0.000041 7C 1dxy -0.000012 0.000008 -0.000010 -0.000690 -0.000025 0.000020 7C 2dz2 -0.000213 0.000014 -0.000103 0.001964 -0.000176 0.000219 7C 2dxz 0.000235 0.000388 -0.000157 0.002324 -0.000157 0.000143 7C 2dyz -0.000124 0.000457 -0.000094 0.001092 -0.000212 0.000189 7C 2dx2y2 -0.000014 -0.000009 0.000165 -0.003275 0.000240 -0.000182 7C 2dxy 0.000218 0.000309 0.000012 -0.000943 0.000025 -0.000018 7C 1f0 -0.000011 0.000031 0.000002 -0.000546 -0.000010 0.000014 7C 1f+1 -0.000020 0.000027 0.000008 -0.001204 -0.000021 0.000026 7C 1f-1 0.000004 0.000044 -0.000019 -0.000245 -0.000031 0.000031 7C 1f+2 0.000032 -0.000034 -0.000003 0.001016 0.000028 -0.000031 7C 1f-2 -0.000038 -0.000006 -0.000003 -0.000078 -0.000012 0.000012 7C 1f+3 0.000002 0.000027 -0.000007 0.000112 -0.000000 0.000003 7C 1f-3 -0.000001 0.000064 0.000005 -0.001027 -0.000018 0.000013 8C 1s -0.000000 -0.000001 -0.000000 0.000002 -0.000005 0.000338 8C 2s 0.000002 0.000003 -0.000007 0.000007 -0.000012 0.000550 8C 3s 0.000026 0.000348 0.000209 -0.000152 0.000090 -0.000357 8C 4s -0.000370 -0.002072 -0.001161 0.000943 -0.000514 0.005017 8C 5s 0.001929 0.001462 0.000297 0.000621 -0.001750 -0.005775 8C 1pz 0.000006 -0.000021 -0.000013 0.000005 -0.000009 0.000009 8C 1px 0.000002 -0.000021 -0.000005 0.000005 -0.000006 -0.000022 8C 1py -0.000014 0.000041 0.000014 -0.000020 0.000015 0.000018 8C 2pz 0.000096 0.000702 0.000355 -0.000210 0.000170 -0.001457 8C 2px 0.000004 0.000383 0.000171 -0.000150 0.000098 -0.000516 8C 2py -0.000101 -0.001253 -0.000431 0.000507 -0.000264 0.001993 8C 3pz -0.000289 -0.000080 -0.000263 -0.000319 0.000290 0.000749 8C 3px -0.000059 0.000095 -0.000067 -0.000061 0.000135 0.000982 8C 3py 0.000466 0.000268 -0.000159 -0.000069 -0.000444 -0.001964 8C 1dz2 0.000002 -0.000001 -0.000016 -0.000015 -0.000000 0.000005 8C 1dxz 0.000000 -0.000011 -0.000011 0.000005 -0.000000 -0.000071 8C 1dyz 0.000008 0.000024 0.000013 -0.000008 0.000002 0.000100 8C 1dx2y2 0.000009 0.000037 0.000009 -0.000014 -0.000000 0.000132 8C 1dxy -0.000002 0.000002 0.000013 -0.000006 0.000001 0.000089 8C 2dz2 -0.000003 0.000094 0.000055 0.000002 0.000005 0.000170 8C 2dxz -0.000033 -0.000134 -0.000035 0.000053 -0.000032 0.000288 8C 2dyz 0.000002 0.000465 0.000107 -0.000115 0.000042 0.000434 8C 2dx2y2 0.000027 0.000235 0.000105 -0.000074 0.000059 -0.000314 8C 2dxy 0.000042 0.000229 0.000069 -0.000071 0.000043 -0.000114 8C 1f0 -0.000005 -0.000028 -0.000005 -0.000001 0.000005 -0.000288 8C 1f+1 -0.000002 0.000011 0.000009 -0.000003 0.000002 0.000039 8C 1f-1 0.000002 -0.000013 -0.000005 -0.000008 0.000004 -0.000100 8C 1f+2 -0.000002 -0.000057 -0.000017 0.000008 -0.000001 -0.000247 8C 1f-2 -0.000006 -0.000042 -0.000022 0.000011 -0.000003 -0.000261 8C 1f+3 0.000009 0.000035 0.000013 -0.000017 0.000000 0.000315 8C 1f-3 0.000001 -0.000031 -0.000007 0.000014 -0.000001 -0.000213 9C 1s 0.000000 -0.000000 0.000000 -0.000337 -0.000004 0.000004 9C 2s -0.000000 0.000001 0.000004 -0.000548 -0.000003 0.000001 9C 3s -0.000034 0.000182 -0.000090 0.000363 -0.000158 0.000192 9C 4s 0.000057 -0.001017 0.000471 -0.005059 0.000900 -0.001038 9C 5s 0.001675 0.000487 0.001842 0.005672 0.000535 0.000118 9C 1pz 0.000020 -0.000027 0.000016 0.000009 0.000019 -0.000014 9C 1px 0.000004 -0.000015 0.000003 0.000030 0.000005 -0.000001 9C 1py 0.000011 -0.000009 0.000010 0.000006 0.000007 -0.000014 9C 2pz -0.000137 0.000686 -0.000254 0.002131 -0.000465 0.000391 9C 2px -0.000144 0.000106 -0.000035 -0.000016 -0.000109 0.000055 9C 2py -0.000101 0.000330 -0.000171 0.001420 -0.000224 0.000357 9C 3pz -0.000375 -0.000077 -0.000473 -0.001788 0.000019 0.000182 9C 3px 0.000191 0.000163 -0.000081 -0.000857 0.000103 0.000074 9C 3py -0.000327 0.000029 -0.000325 -0.001185 -0.000293 -0.000254 9C 1dz2 -0.000003 -0.000013 0.000002 0.000108 0.000021 0.000001 9C 1dxz 0.000012 0.000007 0.000001 0.000071 0.000008 -0.000008 9C 1dyz -0.000004 -0.000012 0.000004 0.000127 0.000009 -0.000023 9C 1dx2y2 0.000004 0.000019 -0.000002 -0.000084 -0.000004 0.000016 9C 1dxy 0.000007 0.000012 0.000001 0.000007 0.000009 0.000007 9C 2dz2 0.000024 -0.000166 0.000048 -0.000045 0.000065 -0.000113 9C 2dxz -0.000039 -0.000046 0.000034 -0.000419 0.000026 -0.000037 9C 2dyz 0.000096 -0.000243 0.000063 0.000298 0.000141 -0.000117 9C 2dx2y2 -0.000005 0.000028 -0.000033 0.000415 -0.000048 0.000018 9C 2dxy 0.000007 -0.000103 0.000010 0.000136 0.000017 -0.000032 9C 1f0 -0.000000 0.000010 -0.000002 -0.000089 -0.000014 0.000003 9C 1f+1 -0.000007 0.000013 -0.000006 -0.000183 -0.000021 0.000010 9C 1f-1 -0.000001 0.000035 -0.000004 -0.000471 -0.000021 0.000022 9C 1f+2 0.000008 -0.000022 0.000007 0.000246 0.000014 -0.000026 9C 1f-2 -0.000002 0.000010 -0.000006 -0.000099 -0.000010 0.000012 9C 1f+3 0.000003 -0.000004 0.000002 -0.000135 0.000001 0.000002 9C 1f-3 -0.000006 0.000005 -0.000002 -0.000120 -0.000007 0.000011 10H 1s -0.000006 0.000000 0.000068 -0.000002 -0.000017 0.000013 10H 2s -0.000025 0.000122 0.000411 0.000006 0.000038 -0.000029 10H 3s 0.000005 -0.000065 0.000217 0.000030 0.000069 -0.000038 10H 1pz -0.000001 0.000004 -0.000083 -0.000003 -0.000002 0.000002 10H 1px 0.000004 -0.000019 -0.000180 -0.000003 0.000007 -0.000007 10H 1py -0.000006 0.000002 -0.000050 -0.000003 -0.000002 -0.000000 11H 1s 0.000013 -0.000020 -0.000111 -0.000002 -0.000005 -0.000000 11H 2s 0.000049 0.000012 -0.000536 0.000038 -0.000021 -0.000032 11H 3s -0.000017 0.000315 -0.000290 0.000068 0.000224 0.000170 11H 1pz -0.000004 0.000004 -0.000112 0.000005 -0.000023 0.000005 11H 1px 0.000013 -0.000013 -0.000087 0.000004 -0.000013 -0.000006 11H 1py -0.000008 0.000011 -0.000093 -0.000001 0.000005 0.000008 12H 1s 0.000004 -0.000011 -0.000049 -0.000002 -0.000008 0.000006 12H 2s -0.000091 0.000030 -0.000360 0.000026 0.000045 0.000004 12H 3s 0.000135 0.000185 -0.000143 0.000056 -0.000045 -0.000072 12H 1pz -0.000010 0.000001 -0.000158 -0.000001 -0.000006 0.000004 12H 1px 0.000002 -0.000008 -0.000106 0.000002 0.000004 0.000004 12H 1py -0.000029 -0.000000 -0.000050 0.000003 -0.000003 0.000018 13H 1s -0.000011 -0.000003 0.000012 -0.000015 -0.000058 0.000001 13H 2s -0.000019 0.000083 -0.000030 0.000051 -0.000323 -0.000017 13H 3s 0.000108 0.000058 -0.000028 0.000054 -0.000198 -0.000025 13H 1pz -0.000013 0.000003 0.000005 -0.000004 -0.000043 -0.000000 13H 1px 0.000004 -0.000006 -0.000005 0.000000 0.000145 0.000006 13H 1py 0.000003 0.000004 -0.000002 0.000001 -0.000133 -0.000005 14H 1s 0.000001 -0.000011 0.000008 -0.000011 0.000026 0.000003 14H 2s -0.000060 0.000037 0.000007 0.000036 0.000248 -0.000013 14H 3s 0.000191 0.000184 -0.000054 -0.000010 0.000062 -0.000059 14H 1pz -0.000031 -0.000002 0.000013 -0.000006 -0.000003 0.000000 14H 1px -0.000013 -0.000006 0.000013 -0.000001 0.000073 -0.000001 14H 1py 0.000014 0.000003 -0.000005 0.000006 -0.000185 -0.000004 15H 1s 0.000019 -0.000010 -0.000001 -0.000007 0.000125 0.000005 15H 2s 0.000035 0.000002 -0.000028 -0.000032 0.000546 -0.000029 15H 3s 0.000053 0.000180 0.000205 0.000252 0.000325 -0.000070 15H 1pz -0.000025 0.000002 0.000013 0.000008 0.000041 0.000003 15H 1px 0.000001 -0.000006 0.000000 -0.000007 0.000086 -0.000000 15H 1py 0.000022 0.000011 -0.000005 0.000027 -0.000122 0.000003 16H 1s -0.000078 -0.000011 0.000008 0.000006 0.000005 0.000001 16H 2s 0.000559 0.000086 -0.000165 -0.000068 0.000004 -0.000025 16H 3s -0.000261 0.000048 0.000213 -0.000061 -0.000144 0.000140 16H 1pz 0.000084 0.000020 -0.000021 -0.000010 -0.000000 -0.000008 16H 1px -0.000032 -0.000016 0.000001 -0.000004 -0.000000 -0.000007 16H 1py -0.000021 -0.000002 -0.000011 -0.000001 0.000014 0.000006 17H 1s -0.000056 -0.000014 0.000001 0.000005 0.000006 0.000009 17H 2s 0.000697 0.000104 -0.000017 0.000013 -0.000074 -0.000197 17H 3s 0.000107 -0.000043 0.000131 -0.000141 -0.000076 0.000213 17H 1pz -0.000019 -0.000011 0.000009 0.000001 0.000010 0.000021 17H 1px -0.000166 -0.000009 -0.000000 -0.000000 0.000005 0.000022 17H 1py 0.000001 0.000002 0.000005 0.000015 -0.000003 -0.000019 18H 1s 0.000012 0.000057 -0.000005 -0.000000 -0.000009 -0.000007 18H 2s -0.000074 -0.000702 -0.000019 0.000010 0.000194 0.000083 18H 3s 0.000048 -0.000102 0.000144 -0.000127 -0.000215 0.000068 18H 1pz -0.000010 -0.000021 0.000000 0.000008 0.000021 0.000011 18H 1px -0.000001 -0.000166 -0.000002 -0.000001 0.000022 0.000006 18H 1py 0.000002 -0.000002 0.000016 0.000006 -0.000018 -0.000004 19H 1s 0.000007 0.000078 -0.000005 -0.000008 -0.000001 -0.000006 19H 2s -0.000062 -0.000570 0.000065 0.000164 0.000031 0.000002 19H 3s -0.000058 0.000250 0.000064 -0.000212 -0.000147 0.000138 19H 1pz 0.000016 0.000087 -0.000009 -0.000020 -0.000009 -0.000002 19H 1px -0.000015 -0.000035 -0.000004 0.000001 -0.000007 -0.000000 19H 1py -0.000001 -0.000020 -0.000001 -0.000011 0.000005 0.000014 20H 1s 0.000010 -0.000019 0.000006 0.000001 0.000000 -0.000125 20H 2s -0.000001 -0.000033 0.000029 0.000025 0.000049 -0.000544 20H 3s -0.000177 -0.000061 -0.000250 -0.000208 0.000079 -0.000319 20H 1pz 0.000003 -0.000025 0.000008 0.000013 0.000002 0.000042 20H 1px -0.000006 0.000001 -0.000006 0.000001 -0.000004 0.000088 20H 1py 0.000010 0.000023 0.000026 -0.000005 0.000007 -0.000122 21H 1s 0.000011 -0.000001 0.000010 -0.000008 -0.000002 -0.000028 21H 2s -0.000040 0.000057 -0.000037 -0.000008 0.000023 -0.000256 21H 3s -0.000178 -0.000194 0.000012 0.000054 0.000061 -0.000066 21H 1pz -0.000000 -0.000030 -0.000006 0.000013 0.000000 -0.000002 21H 1px -0.000006 -0.000012 -0.000001 0.000013 -0.000004 0.000075 21H 1py 0.000002 0.000014 0.000005 -0.000005 0.000002 -0.000185 22H 1s 0.000003 0.000011 0.000015 -0.000011 -0.000003 0.000059 22H 2s -0.000083 0.000016 -0.000050 0.000032 0.000005 0.000330 22H 3s -0.000056 -0.000110 -0.000053 0.000027 0.000016 0.000201 22H 1pz 0.000003 -0.000013 -0.000004 0.000004 0.000001 -0.000042 22H 1px -0.000006 0.000004 0.000001 -0.000004 0.000001 0.000148 22H 1py 0.000004 0.000003 0.000001 -0.000003 0.000000 -0.000131 23H 1s 0.000011 -0.000004 0.000001 0.000052 -0.000006 0.000007 23H 2s -0.000032 0.000089 -0.000030 0.000373 -0.000002 -0.000045 23H 3s -0.000184 -0.000139 -0.000058 0.000150 0.000077 0.000054 23H 1pz 0.000002 -0.000011 0.000000 -0.000156 0.000003 -0.000006 23H 1px -0.000008 0.000002 0.000003 -0.000107 0.000003 0.000004 23H 1py 0.000000 -0.000029 0.000004 -0.000054 0.000018 -0.000002 24H 1s 0.000020 -0.000012 0.000001 0.000109 0.000001 0.000005 24H 2s -0.000012 -0.000046 -0.000041 0.000533 0.000035 0.000019 24H 3s -0.000315 0.000001 -0.000071 0.000287 -0.000156 -0.000221 24H 1pz 0.000005 -0.000004 0.000005 -0.000111 0.000005 -0.000022 24H 1px -0.000013 0.000012 0.000005 -0.000088 -0.000006 -0.000012 24H 1py 0.000011 -0.000007 -0.000001 -0.000097 0.000007 0.000005 25H 1s -0.000001 0.000006 0.000003 -0.000068 -0.000014 0.000017 25H 2s -0.000123 0.000021 -0.000003 -0.000419 0.000028 -0.000035 25H 3s 0.000064 -0.000004 -0.000028 -0.000220 0.000041 -0.000065 25H 1pz 0.000004 -0.000001 -0.000003 -0.000080 0.000002 -0.000001 25H 1px -0.000019 0.000004 -0.000002 -0.000181 -0.000009 0.000008 25H 1py 0.000002 -0.000006 -0.000003 -0.000054 -0.000001 -0.000002 26O 1s -0.000001 -0.000000 -0.000036 0.000000 0.000000 -0.000000 26O 2s 0.000003 0.000004 -0.000166 -0.000003 0.000003 -0.000003 26O 3s -0.000133 -0.000060 0.001947 0.000041 -0.000044 0.000040 26O 4s 0.000249 0.000353 -0.006317 -0.000101 0.000197 -0.000173 26O 5s 0.002270 -0.000380 -0.000770 0.000500 -0.001310 0.001234 26O 1pz -0.000020 0.000004 -0.000048 0.000006 0.000004 -0.000016 26O 1px 0.000027 0.000007 -0.000378 -0.000003 -0.000002 -0.000006 26O 1py 0.000001 0.000007 -0.000173 0.000002 0.000019 0.000004 26O 2pz 0.000200 0.000001 0.000576 -0.000040 0.000000 0.000051 26O 2px -0.000309 -0.000100 0.003997 0.000028 -0.000004 0.000031 26O 2py 0.000003 -0.000053 0.001858 -0.000015 -0.000077 -0.000028 26O 3pz 0.000935 -0.000182 0.000909 0.000021 -0.000069 -0.000017 26O 3px -0.000224 0.000151 -0.000420 -0.000157 0.000180 -0.000186 26O 3py 0.000285 0.000143 0.000369 -0.000051 0.000147 0.000006 26O 1dz2 -0.000002 0.000012 -0.000033 -0.000000 0.000006 0.000003 26O 1dxz 0.000004 -0.000003 0.000043 0.000002 0.000002 -0.000005 26O 1dyz 0.000015 0.000002 -0.000034 0.000003 -0.000003 -0.000004 26O 1dx2y2 -0.000001 0.000001 -0.000011 0.000000 -0.000004 0.000003 26O 1dxy -0.000010 0.000004 0.000011 0.000003 0.000003 0.000005 26O 2dz2 0.000017 -0.000047 0.001061 0.000005 -0.000033 0.000006 26O 2dxz 0.000015 0.000013 -0.000527 -0.000006 -0.000018 0.000030 26O 2dyz 0.000054 -0.000011 -0.000023 -0.000018 0.000002 0.000018 26O 2dx2y2 0.000042 0.000005 -0.001043 -0.000013 0.000039 -0.000032 26O 2dxy 0.000127 -0.000016 -0.001288 -0.000023 -0.000001 -0.000023 26O 1f0 -0.000002 -0.000003 -0.000070 0.000001 -0.000002 0.000003 26O 1f+1 0.000024 -0.000001 -0.000276 -0.000006 0.000007 -0.000009 26O 1f-1 -0.000021 -0.000003 -0.000138 0.000000 -0.000001 -0.000001 26O 1f+2 0.000009 0.000000 0.000105 -0.000000 -0.000001 -0.000002 26O 1f-2 0.000016 0.000001 0.000016 -0.000002 0.000004 -0.000004 26O 1f+3 0.000011 0.000003 -0.000108 -0.000003 0.000008 -0.000003 26O 1f-3 0.000016 -0.000004 -0.000324 -0.000005 0.000005 -0.000005 27O 1s -0.000000 -0.000000 0.000000 -0.000001 0.000037 0.000001 27O 2s 0.000002 0.000001 -0.000001 0.000000 0.000166 0.000006 27O 3s -0.000113 -0.000012 0.000017 -0.000020 -0.001939 -0.000062 27O 4s 0.000231 0.000100 -0.000101 0.000120 0.006322 0.000174 27O 5s 0.002550 -0.000302 0.001226 -0.001130 0.000838 -0.000714 27O 1pz -0.000010 -0.000004 0.000005 0.000018 -0.000014 -0.000003 27O 1px 0.000026 0.000011 0.000002 0.000002 0.000408 0.000006 27O 1py 0.000002 0.000001 0.000018 -0.000002 -0.000094 0.000004 27O 2pz 0.000114 0.000033 -0.000033 -0.000065 0.000118 0.000025 27O 2px -0.000413 -0.000046 -0.000029 -0.000007 -0.004344 -0.000049 27O 2py -0.000042 -0.000025 -0.000051 -0.000009 0.001070 -0.000025 27O 3pz 0.000762 -0.000084 0.000090 0.000060 -0.000583 -0.000059 27O 3px -0.000128 0.000373 -0.000146 0.000129 0.000325 0.000301 27O 3py -0.000718 -0.000086 0.000072 0.000019 0.000797 0.000009 27O 1dz2 -0.000007 -0.000001 -0.000007 -0.000003 -0.000007 0.000001 27O 1dxz -0.000001 -0.000000 -0.000001 0.000006 -0.000022 -0.000003 27O 1dyz -0.000003 -0.000006 -0.000000 0.000004 -0.000051 0.000000 27O 1dx2y2 -0.000010 0.000002 0.000001 -0.000005 -0.000019 0.000000 27O 1dxy 0.000008 -0.000005 0.000007 0.000001 0.000025 0.000004 27O 2dz2 -0.000063 0.000011 0.000021 0.000004 -0.000937 -0.000023 27O 2dxz -0.000001 -0.000007 0.000018 -0.000036 -0.000031 0.000006 27O 2dyz -0.000048 0.000022 -0.000001 -0.000011 0.000238 -0.000007 27O 2dx2y2 0.000128 -0.000012 -0.000017 0.000029 0.001583 0.000023 27O 2dxy -0.000109 0.000036 -0.000042 0.000012 -0.000846 -0.000026 27O 1f0 0.000009 0.000001 -0.000000 -0.000003 -0.000040 -0.000001 27O 1f+1 0.000016 -0.000001 -0.000002 0.000002 0.000254 0.000006 27O 1f-1 0.000007 0.000002 -0.000003 0.000001 -0.000049 0.000001 27O 1f+2 0.000034 0.000003 -0.000003 0.000006 0.000011 0.000004 27O 1f-2 -0.000013 0.000002 0.000001 -0.000003 -0.000085 -0.000003 27O 1f+3 0.000026 -0.000001 -0.000008 0.000003 0.000319 0.000010 27O 1f-3 0.000010 0.000005 -0.000005 0.000003 -0.000218 -0.000002 28O 1s 0.000000 0.000000 -0.000037 -0.000000 0.000000 -0.000000 28O 2s -0.000003 0.000002 -0.000166 -0.000002 0.000003 -0.000002 28O 3s 0.000048 0.000075 0.001955 0.000024 -0.000049 0.000035 28O 4s -0.000407 -0.000025 -0.006426 -0.000056 0.000203 -0.000156 28O 5s 0.001016 -0.002599 -0.001139 0.000825 -0.001074 0.001209 28O 1pz -0.000010 -0.000007 -0.000265 0.000003 0.000007 -0.000018 28O 1px -0.000013 0.000037 0.000330 -0.000000 -0.000004 -0.000006 28O 1py -0.000011 0.000015 -0.000037 0.000002 0.000018 0.000002 28O 2pz 0.000048 0.000027 0.002939 -0.000042 -0.000033 0.000064 28O 2px 0.000014 -0.000329 -0.003455 0.000012 0.000049 0.000014 28O 2py 0.000033 -0.000128 0.000480 -0.000021 -0.000068 -0.000020 28O 3pz 0.000150 -0.000818 0.000819 -0.000175 -0.000021 -0.000163 28O 3px 0.000266 -0.000512 0.000665 0.000304 -0.000083 0.000150 28O 3py 0.000400 -0.000792 0.000713 -0.000002 0.000023 0.000058 28O 1dz2 0.000006 -0.000003 0.000011 0.000002 0.000004 -0.000001 28O 1dxz -0.000008 -0.000003 -0.000034 -0.000001 0.000006 0.000002 28O 1dyz -0.000009 -0.000013 -0.000035 0.000001 -0.000000 -0.000001 28O 1dx2y2 0.000007 -0.000004 -0.000015 -0.000002 -0.000000 0.000009 28O 1dxy -0.000016 0.000008 -0.000044 -0.000002 -0.000006 -0.000001 28O 2dz2 -0.000018 -0.000061 -0.000284 -0.000006 -0.000020 0.000017 28O 2dxz 0.000023 0.000044 0.001795 0.000002 -0.000048 0.000011 28O 2dyz 0.000037 -0.000069 -0.000086 -0.000008 -0.000006 0.000009 28O 2dx2y2 -0.000013 -0.000002 -0.000896 0.000004 0.000032 -0.000050 28O 2dxy 0.000076 -0.000056 0.000448 0.000002 0.000024 -0.000001 28O 1f0 -0.000002 -0.000018 -0.000162 -0.000004 0.000005 -0.000008 28O 1f+1 0.000007 -0.000004 -0.000221 0.000001 0.000003 0.000002 28O 1f-1 -0.000003 0.000013 -0.000038 -0.000000 0.000002 -0.000001 28O 1f+2 -0.000006 0.000015 0.000339 0.000003 -0.000009 0.000007 28O 1f-2 0.000001 0.000014 -0.000064 0.000003 -0.000005 0.000002 28O 1f+3 -0.000001 0.000008 0.000139 0.000004 -0.000007 0.000005 28O 1f-3 -0.000002 -0.000011 -0.000094 -0.000001 -0.000000 -0.000002 29O 1s 0.000001 0.000000 0.000000 -0.000000 -0.000000 0.000000 29O 2s -0.000019 -0.000007 -0.000006 0.000003 0.000003 -0.000005 29O 3s 0.000156 0.000059 0.000043 -0.000015 -0.000022 0.000032 29O 4s 0.000163 -0.000122 -0.000094 -0.000010 0.000007 -0.000065 29O 5s -0.001881 0.000081 0.000147 0.000162 0.000165 0.000152 29O 1pz 0.000051 0.000005 0.000006 -0.000010 -0.000006 0.000011 29O 1px -0.000118 -0.000017 -0.000027 0.000018 0.000022 -0.000025 29O 1py -0.000040 -0.000002 -0.000001 -0.000007 -0.000009 -0.000001 29O 2pz -0.000132 -0.000009 -0.000044 0.000021 0.000031 -0.000028 29O 2px 0.000303 0.000048 0.000108 -0.000065 -0.000069 0.000116 29O 2py 0.000199 0.000015 -0.000010 0.000030 0.000030 -0.000018 29O 3pz -0.000323 -0.000007 -0.000002 -0.000062 -0.000009 0.000135 29O 3px 0.000506 -0.000058 -0.000201 0.000059 0.000098 -0.000138 29O 3py 0.000488 0.000094 -0.000021 -0.000100 -0.000101 -0.000042 29O 1dz2 -0.000014 -0.000004 -0.000003 0.000001 0.000003 -0.000002 29O 1dxz -0.000065 -0.000006 -0.000002 0.000005 0.000003 -0.000004 29O 1dyz -0.000029 -0.000001 -0.000003 -0.000002 0.000003 0.000003 29O 1dx2y2 0.000064 0.000010 0.000004 -0.000005 -0.000005 0.000004 29O 1dxy 0.000030 0.000004 -0.000000 -0.000002 0.000001 0.000003 29O 2dz2 0.000053 0.000009 0.000023 -0.000001 -0.000017 0.000007 29O 2dxz 0.000231 0.000020 0.000006 -0.000022 -0.000006 0.000027 29O 2dyz 0.000115 0.000002 0.000021 0.000014 -0.000012 -0.000018 29O 2dx2y2 -0.000268 -0.000038 -0.000018 0.000015 0.000019 -0.000015 29O 2dxy -0.000088 -0.000011 -0.000003 0.000008 -0.000008 -0.000024 29O 1f0 0.000033 0.000003 -0.000002 -0.000002 -0.000000 0.000000 29O 1f+1 -0.000009 -0.000001 -0.000001 0.000000 0.000001 0.000001 29O 1f-1 0.000020 0.000002 -0.000003 -0.000000 0.000001 -0.000002 29O 1f+2 -0.000039 -0.000005 -0.000001 0.000002 0.000003 -0.000001 29O 1f-2 -0.000007 0.000002 -0.000000 0.000002 -0.000000 -0.000005 29O 1f+3 -0.000047 -0.000006 -0.000001 0.000004 0.000004 -0.000000 29O 1f-3 -0.000021 -0.000002 -0.000001 0.000001 0.000002 0.000001 30O 1s 0.000000 0.000000 0.000000 -0.000001 0.000036 0.000001 30O 2s -0.000002 0.000002 -0.000001 0.000000 0.000166 0.000005 30O 3s 0.000043 0.000071 0.000017 -0.000015 -0.001952 -0.000056 30O 4s -0.000504 -0.000081 -0.000093 0.000092 0.006373 0.000155 30O 5s 0.001475 -0.002559 0.001337 -0.001151 0.001024 -0.000560 30O 1pz -0.000003 -0.000009 0.000006 0.000014 0.000207 0.000002 30O 1px -0.000031 0.000045 -0.000006 0.000010 -0.000300 -0.000008 30O 1py 0.000020 0.000001 0.000015 -0.000000 -0.000215 -0.000001 30O 2pz 0.000016 0.000072 -0.000048 -0.000040 -0.002237 -0.000018 30O 2px 0.000094 -0.000363 0.000035 -0.000047 0.003098 0.000065 30O 2py -0.000083 -0.000015 -0.000035 -0.000028 0.002385 0.000007 30O 3pz 0.000175 0.000022 -0.000077 0.000068 -0.000434 0.000100 30O 3px 0.000436 -0.000796 0.000207 -0.000094 -0.000821 -0.000197 30O 3py -0.000449 0.000360 0.000179 0.000049 0.000894 -0.000077 30O 1dz2 0.000011 0.000001 -0.000004 0.000002 -0.000030 -0.000001 30O 1dxz -0.000010 -0.000002 -0.000007 -0.000003 0.000017 0.000001 30O 1dyz 0.000002 0.000016 0.000001 0.000003 -0.000018 0.000002 30O 1dx2y2 -0.000005 0.000008 0.000001 -0.000006 0.000022 0.000002 30O 1dxy 0.000028 -0.000005 -0.000003 -0.000003 -0.000051 -0.000002 30O 2dz2 -0.000056 0.000026 0.000015 -0.000014 -0.000130 -0.000005 30O 2dxz 0.000016 0.000025 0.000025 0.000005 -0.001220 -0.000024 30O 2dyz -0.000022 0.000059 -0.000014 0.000000 -0.000810 -0.000027 30O 2dx2y2 0.000050 -0.000009 -0.000024 0.000037 0.000237 0.000001 30O 2dxy -0.000106 0.000023 0.000013 0.000011 0.001438 0.000026 30O 1f0 0.000007 -0.000023 -0.000001 0.000003 0.000162 0.000006 30O 1f+1 -0.000000 -0.000011 -0.000001 -0.000002 0.000065 0.000002 30O 1f-1 0.000004 -0.000003 0.000000 -0.000004 0.000007 -0.000001 30O 1f+2 -0.000002 -0.000006 0.000005 -0.000003 -0.000134 -0.000005 30O 1f-2 -0.000009 0.000008 -0.000001 0.000002 -0.000311 -0.000006 30O 1f+3 -0.000003 -0.000006 0.000006 -0.000003 0.000110 -0.000000 30O 1f-3 -0.000002 0.000016 0.000005 -0.000005 -0.000264 -0.000009 31O 1s -0.000000 -0.000000 0.000000 -0.000000 0.000001 -0.000036 31O 2s -0.000002 0.000002 -0.000001 0.000000 0.000001 -0.000166 31O 3s -0.000070 -0.000046 0.000026 -0.000010 -0.000016 0.001953 31O 4s 0.000065 0.000507 -0.000127 0.000072 0.000079 -0.006376 31O 5s 0.002635 -0.001369 0.001155 -0.001339 0.000590 -0.001005 31O 1pz -0.000009 -0.000003 0.000015 0.000007 -0.000006 0.000206 31O 1px 0.000046 -0.000029 0.000008 -0.000007 0.000004 -0.000301 31O 1py 0.000001 0.000020 -0.000001 0.000015 0.000007 -0.000214 31O 2pz 0.000074 0.000019 -0.000051 -0.000056 0.000064 -0.002237 31O 2px -0.000368 0.000079 -0.000031 0.000045 -0.000049 0.003099 31O 2py -0.000015 -0.000084 -0.000015 -0.000026 -0.000081 0.002383 31O 3pz 0.000031 0.000175 0.000065 -0.000081 0.000115 -0.000432 31O 3px -0.000823 0.000404 -0.000099 0.000207 -0.000164 -0.000828 31O 3py 0.000364 -0.000432 0.000053 0.000182 -0.000107 0.000894 31O 1dz2 -0.000001 -0.000011 -0.000002 0.000004 -0.000000 0.000030 31O 1dxz 0.000002 0.000010 0.000003 0.000007 -0.000000 -0.000017 31O 1dyz -0.000015 -0.000002 -0.000003 -0.000001 -0.000003 0.000018 31O 1dx2y2 -0.000008 0.000004 0.000006 -0.000001 -0.000001 -0.000022 31O 1dxy 0.000006 -0.000027 0.000004 0.000004 -0.000000 0.000051 31O 2dz2 -0.000028 0.000055 0.000015 -0.000015 -0.000000 0.000129 31O 2dxz -0.000026 -0.000017 0.000002 -0.000021 -0.000021 0.001221 31O 2dyz -0.000060 0.000020 0.000004 0.000017 -0.000003 0.000811 31O 2dx2y2 0.000012 -0.000049 -0.000038 0.000023 0.000007 -0.000237 31O 2dxy -0.000026 0.000105 -0.000018 -0.000018 0.000027 -0.001438 31O 1f0 -0.000023 0.000006 0.000004 -0.000001 -0.000000 0.000162 31O 1f+1 -0.000011 -0.000001 -0.000002 -0.000001 -0.000001 0.000065 31O 1f-1 -0.000003 0.000004 -0.000003 0.000000 -0.000001 0.000007 31O 1f+2 -0.000006 -0.000003 -0.000004 0.000005 -0.000000 -0.000134 31O 1f-2 0.000009 -0.000008 0.000001 -0.000002 0.000006 -0.000311 31O 1f+3 -0.000006 -0.000004 -0.000002 0.000006 -0.000004 0.000110 31O 1f-3 0.000016 -0.000001 -0.000006 0.000004 0.000000 -0.000264 32O 1s -0.000000 -0.000001 0.000000 -0.000000 -0.000000 0.000000 32O 2s 0.000006 0.000019 -0.000003 0.000006 0.000005 -0.000003 32O 3s -0.000053 -0.000158 0.000016 -0.000042 -0.000033 0.000021 32O 4s 0.000127 -0.000160 0.000008 0.000094 0.000065 -0.000005 32O 5s -0.000157 0.001890 -0.000156 -0.000142 -0.000149 -0.000175 32O 1pz 0.000003 0.000052 -0.000010 0.000006 0.000011 -0.000005 32O 1px -0.000013 -0.000119 0.000019 -0.000027 -0.000026 0.000021 32O 1py 0.000000 -0.000040 -0.000007 -0.000001 -0.000001 -0.000009 32O 2pz -0.000004 -0.000135 0.000020 -0.000043 -0.000029 0.000029 32O 2px 0.000036 0.000306 -0.000068 0.000105 0.000120 -0.000065 32O 2py 0.000007 0.000201 0.000030 -0.000010 -0.000019 0.000029 32O 3pz 0.000004 -0.000324 -0.000062 -0.000005 0.000133 -0.000004 32O 3px -0.000078 0.000504 0.000063 -0.000199 -0.000143 0.000093 32O 3py 0.000074 0.000491 -0.000098 -0.000020 -0.000038 -0.000104 32O 1dz2 0.000003 0.000014 -0.000001 0.000003 0.000002 -0.000003 32O 1dxz 0.000004 0.000064 -0.000005 0.000002 0.000004 -0.000002 32O 1dyz 0.000000 0.000028 0.000002 0.000004 -0.000003 -0.000003 32O 1dx2y2 -0.000008 -0.000065 0.000005 -0.000004 -0.000004 0.000005 32O 1dxy -0.000003 -0.000031 0.000002 0.000000 -0.000003 -0.000001 32O 2dz2 -0.000008 -0.000052 0.000002 -0.000022 -0.000009 0.000015 32O 2dxz -0.000011 -0.000230 0.000023 -0.000004 -0.000027 0.000004 32O 2dyz 0.000002 -0.000111 -0.000014 -0.000022 0.000017 0.000013 32O 2dx2y2 0.000027 0.000273 -0.000015 0.000018 0.000015 -0.000019 32O 2dxy 0.000008 0.000090 -0.000009 0.000002 0.000024 0.000009 32O 1f0 0.000001 0.000032 -0.000002 -0.000001 0.000000 -0.000000 32O 1f+1 -0.000001 -0.000010 0.000000 -0.000001 0.000001 0.000001 32O 1f-1 0.000001 0.000020 -0.000000 -0.000003 -0.000003 0.000000 32O 1f+2 -0.000003 -0.000040 0.000002 -0.000001 -0.000001 0.000003 32O 1f-2 0.000002 -0.000006 0.000002 -0.000000 -0.000004 -0.000001 32O 1f+3 -0.000004 -0.000047 0.000004 -0.000001 -0.000000 0.000004 32O 1f-3 -0.000001 -0.000022 0.000001 -0.000001 0.000001 0.000002 33O 1s -0.000000 -0.000000 -0.000000 0.000037 0.000000 -0.000000 33O 2s -0.000002 0.000003 0.000001 0.000166 0.000003 -0.000003 33O 3s -0.000074 -0.000051 -0.000008 -0.001955 -0.000047 0.000054 33O 4s 0.000011 0.000408 0.000003 0.006427 0.000197 -0.000218 33O 5s 0.002628 -0.000919 -0.000824 0.001152 -0.001233 0.001035 33O 1pz -0.000006 -0.000010 0.000005 -0.000264 -0.000019 0.000007 33O 1px 0.000038 -0.000011 -0.000003 0.000330 -0.000004 -0.000005 33O 1py 0.000015 -0.000011 0.000002 -0.000038 0.000001 0.000018 33O 2pz 0.000024 0.000048 -0.000065 0.002936 0.000082 -0.000040 33O 2px -0.000328 0.000001 0.000040 -0.003459 -0.000007 0.000060 33O 2py -0.000129 0.000028 -0.000025 0.000484 -0.000014 -0.000070 33O 3pz -0.000817 0.000116 -0.000182 0.000822 -0.000157 -0.000028 33O 3px -0.000523 0.000249 0.000298 0.000662 0.000155 -0.000082 33O 3py -0.000806 0.000368 -0.000009 0.000719 0.000059 0.000022 33O 1dz2 0.000003 -0.000006 -0.000002 -0.000011 0.000001 -0.000004 33O 1dxz 0.000002 0.000008 0.000001 0.000034 -0.000002 -0.000006 33O 1dyz 0.000012 0.000010 -0.000001 0.000034 0.000001 0.000000 33O 1dx2y2 0.000005 -0.000007 0.000002 0.000015 -0.000009 -0.000000 33O 1dxy -0.000009 0.000016 0.000001 0.000045 0.000001 0.000006 33O 2dz2 0.000060 0.000020 0.000004 0.000282 -0.000015 0.000018 33O 2dxz -0.000043 -0.000024 0.000013 -0.001795 -0.000023 0.000053 33O 2dyz 0.000070 -0.000035 0.000007 0.000088 -0.000009 0.000005 33O 2dx2y2 0.000001 0.000013 -0.000012 0.000898 0.000056 -0.000033 33O 2dxy 0.000059 -0.000073 0.000001 -0.000452 -0.000000 -0.000022 33O 1f0 -0.000017 -0.000002 -0.000002 -0.000163 -0.000009 0.000005 33O 1f+1 -0.000004 0.000007 0.000003 -0.000220 0.000001 0.000003 33O 1f-1 0.000013 -0.000002 0.000000 -0.000038 -0.000001 0.000002 33O 1f+2 0.000015 -0.000006 0.000001 0.000339 0.000009 -0.000009 33O 1f-2 0.000014 0.000001 0.000004 -0.000064 0.000002 -0.000005 33O 1f+3 0.000008 -0.000000 0.000002 0.000139 0.000006 -0.000007 33O 1f-3 -0.000011 -0.000003 -0.000000 -0.000095 -0.000002 0.000000 34O 1s 0.000000 0.000000 0.000000 -0.000000 0.000001 -0.000037 34O 2s -0.000001 -0.000002 -0.000001 0.000000 0.000001 -0.000166 34O 3s 0.000007 0.000114 0.000031 -0.000011 -0.000010 0.001940 34O 4s -0.000089 -0.000236 -0.000154 0.000080 0.000060 -0.006325 34O 5s 0.000403 -0.002542 0.001133 -0.001228 0.000740 -0.000809 34O 1pz -0.000004 -0.000010 0.000018 0.000005 -0.000003 -0.000014 34O 1px 0.000010 0.000026 0.000005 0.000003 -0.000009 0.000408 34O 1py 0.000001 0.000002 -0.000003 0.000017 0.000007 -0.000094 34O 2pz 0.000029 0.000117 -0.000064 -0.000034 0.000020 0.000120 34O 2px -0.000029 -0.000415 -0.000029 -0.000044 0.000111 -0.004343 34O 2py -0.000025 -0.000044 -0.000002 -0.000047 -0.000065 0.001070 34O 3pz -0.000114 0.000759 0.000057 0.000091 -0.000036 -0.000584 34O 3px 0.000380 -0.000116 0.000130 -0.000145 0.000290 0.000338 34O 3py -0.000059 -0.000722 0.000022 0.000073 -0.000021 0.000793 34O 1dz2 0.000001 0.000007 0.000003 0.000007 -0.000001 0.000007 34O 1dxz -0.000000 0.000001 -0.000006 0.000002 0.000002 0.000022 34O 1dyz 0.000006 0.000004 -0.000004 0.000000 -0.000002 0.000051 34O 1dx2y2 -0.000002 0.000010 0.000006 -0.000001 -0.000001 0.000019 34O 1dxy 0.000005 -0.000007 -0.000001 -0.000007 -0.000003 -0.000025 34O 2dz2 -0.000014 0.000062 0.000001 -0.000018 -0.000012 0.000937 34O 2dxz 0.000007 0.000001 0.000037 -0.000018 -0.000007 0.000032 34O 2dyz -0.000024 0.000047 0.000009 0.000001 0.000016 -0.000238 34O 2dx2y2 0.000017 -0.000127 -0.000038 0.000012 0.000035 -0.001582 34O 2dxy -0.000041 0.000107 -0.000008 0.000045 -0.000005 0.000847 34O 1f0 0.000000 0.000009 -0.000003 -0.000000 0.000000 -0.000041 34O 1f+1 -0.000002 0.000016 0.000003 -0.000001 -0.000003 0.000254 34O 1f-1 0.000002 0.000007 0.000001 -0.000003 0.000003 -0.000049 34O 1f+2 0.000002 0.000034 0.000006 -0.000003 0.000003 0.000011 34O 1f-2 0.000003 -0.000013 -0.000004 0.000000 -0.000000 -0.000085 34O 1f+3 -0.000002 0.000026 0.000005 -0.000007 -0.000002 0.000319 34O 1f-3 0.000004 0.000010 0.000002 -0.000005 0.000006 -0.000218 35O 1s 0.000000 0.000001 -0.000000 0.000036 0.000000 -0.000000 35O 2s -0.000004 -0.000003 0.000002 0.000166 0.000004 -0.000003 35O 3s 0.000055 0.000136 -0.000025 -0.001947 -0.000052 0.000049 35O 4s -0.000341 -0.000266 0.000049 0.006317 0.000214 -0.000211 35O 5s 0.000459 -0.002286 -0.000494 0.000776 -0.001271 0.001272 35O 1pz 0.000004 -0.000020 0.000006 -0.000048 -0.000017 0.000003 35O 1px 0.000006 0.000027 -0.000000 -0.000378 -0.000008 -0.000001 35O 1py 0.000007 0.000001 0.000004 -0.000173 0.000003 0.000020 35O 2pz -0.000006 0.000200 -0.000045 0.000575 0.000055 0.000001 35O 2px -0.000088 -0.000318 -0.000004 0.003996 0.000053 -0.000014 35O 2py -0.000053 -0.000001 -0.000030 0.001861 -0.000015 -0.000083 35O 3pz -0.000217 0.000925 0.000014 0.000903 -0.000011 -0.000073 35O 3px 0.000158 -0.000233 -0.000152 -0.000422 -0.000193 0.000179 35O 3py 0.000135 0.000285 -0.000053 0.000369 0.000004 0.000147 35O 1dz2 -0.000012 0.000002 -0.000000 0.000032 -0.000003 -0.000006 35O 1dxz 0.000003 -0.000004 -0.000002 -0.000043 0.000004 -0.000002 35O 1dyz -0.000002 -0.000015 -0.000003 0.000034 0.000004 0.000003 35O 1dx2y2 -0.000001 0.000001 -0.000000 0.000011 -0.000003 0.000003 35O 1dxy -0.000005 0.000010 -0.000003 -0.000011 -0.000004 -0.000003 35O 2dz2 0.000047 -0.000014 0.000003 -0.001060 -0.000013 0.000036 35O 2dxz -0.000012 -0.000016 0.000002 0.000527 -0.000027 0.000015 35O 2dyz 0.000013 -0.000054 0.000018 0.000022 -0.000018 -0.000003 35O 2dx2y2 -0.000004 -0.000044 0.000005 0.001041 0.000039 -0.000041 35O 2dxy 0.000021 -0.000127 0.000012 0.001290 0.000031 -0.000002 35O 1f0 -0.000003 -0.000002 0.000002 -0.000070 0.000003 -0.000002 35O 1f+1 -0.000002 0.000024 -0.000004 -0.000275 -0.000010 0.000007 35O 1f-1 -0.000002 -0.000021 0.000001 -0.000138 -0.000002 -0.000001 35O 1f+2 -0.000000 0.000009 -0.000001 0.000105 -0.000002 -0.000001 35O 1f-2 0.000000 0.000016 -0.000003 0.000016 -0.000005 0.000004 35O 1f+3 0.000003 0.000011 -0.000002 -0.000107 -0.000004 0.000008 35O 1f-3 -0.000004 0.000016 -0.000002 -0.000325 -0.000007 0.000005 42 43 44 45 46 47 -10.11817 -10.11815 -10.11811 -10.11806 -2.91932 -2.91607 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s -0.000001 -0.000000 -0.000001 0.000000 -0.044079 0.041013 0Rh 2s -0.000005 -0.000000 -0.000007 0.000001 0.166256 -0.154840 0Rh 3s -0.000007 -0.000001 -0.000008 0.000001 -0.145975 0.135735 0Rh 4s 0.000022 0.000001 0.000028 -0.000004 -0.602057 0.560957 0Rh 5s -0.000033 0.000009 -0.000045 0.000019 0.344442 -0.322180 0Rh 6s 0.000008 -0.000056 0.000026 -0.000068 0.643708 -0.596297 0Rh 7s 0.000490 0.000834 0.000406 0.000852 0.042592 -0.062888 0Rh 8s -0.000400 0.000118 -0.000276 0.000060 -0.001054 -0.006916 0Rh 1pz -0.000000 0.000001 -0.000001 0.000002 0.000133 0.000024 0Rh 1px -0.000001 -0.000000 -0.000001 -0.000000 -0.000383 -0.000100 0Rh 1py 0.000001 -0.000002 -0.000001 0.000001 -0.000056 -0.000030 0Rh 2pz 0.000001 -0.000006 0.000005 -0.000012 -0.000434 -0.000069 0Rh 2px 0.000007 0.000001 0.000006 0.000002 0.001241 0.000301 0Rh 2py -0.000007 0.000011 0.000004 -0.000005 0.000181 0.000094 0Rh 3pz -0.000006 0.000036 -0.000032 0.000074 0.000258 0.000012 0Rh 3px -0.000046 -0.000005 -0.000037 -0.000013 -0.000646 -0.000109 0Rh 3py 0.000041 -0.000068 -0.000025 0.000033 -0.000079 -0.000051 0Rh 4pz 0.000016 -0.000097 0.000084 -0.000196 0.000679 -0.000025 0Rh 4px 0.000126 0.000019 0.000103 0.000039 -0.002208 -0.000043 0Rh 4py -0.000109 0.000181 0.000069 -0.000085 -0.000375 -0.000045 0Rh 5pz -0.000021 0.000157 -0.000132 0.000309 -0.000746 0.000348 0Rh 5px -0.000215 -0.000046 -0.000177 -0.000076 0.002607 -0.000957 0Rh 5py 0.000173 -0.000286 -0.000113 0.000129 0.000563 -0.000201 0Rh 6pz 0.000038 0.000001 0.000564 -0.000182 0.000967 -0.008563 0Rh 6px 0.000645 0.000202 0.000516 0.000187 -0.003870 0.026571 0Rh 6py -0.000667 0.000196 0.000375 0.000066 -0.003005 0.005375 0Rh 1dz2 0.000001 0.000000 0.000000 -0.000001 -0.000290 0.000364 0Rh 1dxz -0.000001 0.000001 -0.000001 0.000001 -0.000337 0.000440 0Rh 1dyz 0.000000 0.000001 -0.000001 -0.000000 -0.000072 0.000090 0Rh 1dx2y2 -0.000000 0.000001 -0.000000 -0.000000 0.000530 -0.000684 0Rh 1dxy 0.000002 -0.000001 -0.000002 0.000001 0.000238 -0.000293 0Rh 2dz2 -0.000009 -0.000002 -0.000000 0.000006 -0.000053 0.000069 0Rh 2dxz 0.000005 -0.000006 0.000008 -0.000008 -0.000033 0.000058 0Rh 2dyz -0.000003 -0.000007 0.000007 0.000003 -0.000016 0.000019 0Rh 2dx2y2 0.000003 -0.000005 0.000003 0.000003 0.000071 -0.000108 0Rh 2dxy -0.000011 0.000006 0.000011 -0.000004 0.000044 -0.000053 0Rh 3dz2 0.000026 0.000005 0.000001 -0.000018 0.000560 -0.000689 0Rh 3dxz -0.000015 0.000017 -0.000025 0.000024 0.000571 -0.000760 0Rh 3dyz 0.000009 0.000021 -0.000023 -0.000008 0.000144 -0.000174 0Rh 3dx2y2 -0.000009 0.000014 -0.000008 -0.000008 -0.000955 0.001234 0Rh 3dxy 0.000034 -0.000018 -0.000032 0.000012 -0.000454 0.000542 0Rh 4dz2 -0.000059 -0.000011 0.000001 0.000036 0.000633 -0.000433 0Rh 4dxz 0.000034 -0.000037 0.000053 -0.000052 0.000895 -0.000619 0Rh 4dyz -0.000024 -0.000043 0.000056 0.000013 0.000155 -0.000106 0Rh 4dx2y2 0.000018 -0.000029 0.000019 0.000017 -0.001305 0.000887 0Rh 4dxy -0.000075 0.000039 0.000074 -0.000026 -0.000514 0.000376 0Rh 5dz2 0.000121 -0.000005 -0.000016 0.000017 -0.000925 0.000345 0Rh 5dxz -0.000056 0.000091 -0.000081 0.000093 -0.001372 0.000613 0Rh 5dyz 0.000049 -0.000049 -0.000125 0.000130 -0.000222 0.000058 0Rh 5dx2y2 -0.000036 -0.000004 -0.000052 -0.000047 0.002010 -0.000841 0Rh 5dxy 0.000126 -0.000111 -0.000149 0.000082 0.000674 -0.000236 0Rh 1f0 0.000000 0.000000 -0.000002 -0.000004 -0.000149 0.000011 0Rh 1f+1 -0.000004 -0.000000 0.000006 0.000001 0.000116 -0.000006 0Rh 1f-1 0.000004 0.000001 -0.000001 -0.000002 -0.000008 0.000020 0Rh 1f+2 0.000002 0.000002 -0.000002 -0.000000 0.000214 -0.000044 0Rh 1f-2 -0.000009 -0.000005 0.000009 0.000005 0.000054 0.000005 0Rh 1f+3 0.000004 0.000001 0.000001 0.000001 0.000222 -0.000015 0Rh 1f-3 0.000002 0.000006 -0.000004 -0.000002 0.000112 0.000009 1Rh 1s -0.000000 -0.000001 0.000000 -0.000001 -0.040931 -0.044157 1Rh 2s -0.000001 -0.000005 0.000000 -0.000007 0.154368 0.166694 1Rh 3s -0.000001 -0.000007 0.000000 -0.000008 -0.135558 -0.146149 1Rh 4s 0.000001 0.000022 -0.000003 0.000028 -0.559000 -0.603894 1Rh 5s 0.000009 -0.000033 0.000018 -0.000046 0.319747 0.346774 1Rh 6s -0.000055 0.000009 -0.000066 0.000027 0.597884 0.642169 1Rh 7s 0.000825 0.000493 0.000843 0.000403 0.037856 0.065893 1Rh 8s 0.000116 -0.000406 0.000061 -0.000280 -0.001563 0.006818 1Rh 1pz -0.000001 0.000000 -0.000002 0.000001 -0.000135 0.000013 1Rh 1px 0.000000 0.000001 0.000000 0.000001 0.000392 -0.000069 1Rh 1py 0.000002 -0.000001 -0.000001 0.000001 0.000059 -0.000025 1Rh 2pz 0.000006 -0.000001 0.000012 -0.000005 0.000440 -0.000034 1Rh 2px -0.000001 -0.000007 -0.000002 -0.000006 -0.001269 0.000199 1Rh 2py -0.000011 0.000007 0.000005 -0.000004 -0.000190 0.000078 1Rh 3pz -0.000036 0.000006 -0.000074 0.000031 -0.000260 -0.000008 1Rh 3px 0.000005 0.000046 0.000013 0.000036 0.000662 -0.000054 1Rh 3py 0.000069 -0.000041 -0.000032 0.000026 0.000085 -0.000043 1Rh 4pz 0.000096 -0.000015 0.000196 -0.000083 -0.000677 -0.000081 1Rh 4px -0.000018 -0.000126 -0.000039 -0.000102 0.002208 0.000132 1Rh 4py -0.000182 0.000107 0.000083 -0.000070 0.000378 -0.000014 1Rh 5pz -0.000156 0.000019 -0.000310 0.000129 0.000718 0.000403 1Rh 5px 0.000045 0.000215 0.000074 0.000176 -0.002525 -0.001149 1Rh 5py 0.000286 -0.000170 -0.000126 0.000114 -0.000545 -0.000243 1Rh 6pz -0.000001 -0.000043 0.000197 -0.000565 -0.000344 -0.008597 1Rh 6px -0.000199 -0.000648 -0.000182 -0.000515 0.001900 0.026780 1Rh 6py -0.000209 0.000667 -0.000070 -0.000391 0.002591 0.005584 1Rh 1dz2 0.000000 0.000001 -0.000001 0.000000 -0.000266 -0.000388 1Rh 1dxz 0.000001 -0.000001 0.000001 -0.000001 -0.000308 -0.000468 1Rh 1dyz 0.000001 0.000000 -0.000000 -0.000001 -0.000067 -0.000097 1Rh 1dx2y2 0.000001 -0.000000 -0.000000 -0.000000 0.000484 0.000727 1Rh 1dxy -0.000001 0.000002 0.000001 -0.000002 0.000217 0.000312 1Rh 2dz2 -0.000002 -0.000009 0.000006 -0.000001 -0.000049 -0.000074 1Rh 2dxz -0.000006 0.000005 -0.000008 0.000008 -0.000030 -0.000062 1Rh 2dyz -0.000007 -0.000003 0.000003 0.000007 -0.000014 -0.000021 1Rh 2dx2y2 -0.000005 0.000003 0.000003 0.000003 0.000065 0.000116 1Rh 2dxy 0.000006 -0.000011 -0.000004 0.000011 0.000040 0.000057 1Rh 3dz2 0.000005 0.000026 -0.000018 0.000001 0.000512 0.000734 1Rh 3dxz 0.000017 -0.000015 0.000024 -0.000024 0.000521 0.000809 1Rh 3dyz 0.000021 0.000009 -0.000008 -0.000023 0.000132 0.000187 1Rh 3dx2y2 0.000014 -0.000009 -0.000008 -0.000008 -0.000870 -0.001313 1Rh 3dxy -0.000018 0.000034 0.000012 -0.000032 -0.000414 -0.000576 1Rh 4dz2 -0.000011 -0.000059 0.000038 0.000000 0.000610 0.000488 1Rh 4dxz -0.000037 0.000034 -0.000052 0.000052 0.000861 0.000695 1Rh 4dyz -0.000043 -0.000024 0.000013 0.000057 0.000150 0.000120 1Rh 4dx2y2 -0.000029 0.000018 0.000017 0.000019 -0.001258 -0.000999 1Rh 4dxy 0.000039 -0.000075 -0.000026 0.000074 -0.000494 -0.000418 1Rh 5dz2 -0.000005 0.000122 0.000013 -0.000015 -0.000903 -0.000411 1Rh 5dxz 0.000092 -0.000055 0.000092 -0.000081 -0.001328 -0.000707 1Rh 5dyz -0.000046 0.000051 0.000127 -0.000128 -0.000219 -0.000073 1Rh 5dx2y2 -0.000002 -0.000036 -0.000048 -0.000051 0.001950 0.000981 1Rh 5dxy -0.000111 0.000127 0.000082 -0.000149 0.000662 0.000283 1Rh 1f0 -0.000000 -0.000000 0.000004 0.000002 0.000149 0.000023 1Rh 1f+1 0.000000 0.000004 -0.000001 -0.000006 -0.000115 -0.000015 1Rh 1f-1 -0.000001 -0.000004 0.000002 0.000001 0.000006 0.000021 1Rh 1f+2 -0.000002 -0.000002 0.000000 0.000002 -0.000211 -0.000060 1Rh 1f-2 0.000005 0.000009 -0.000005 -0.000009 -0.000055 0.000000 1Rh 1f+3 -0.000001 -0.000004 -0.000001 -0.000001 -0.000220 -0.000032 1Rh 1f-3 -0.000006 -0.000002 0.000002 0.000004 -0.000113 -0.000000 2C 1s -0.000117 -0.000533 -0.467553 -0.000535 -0.000001 -0.000000 2C 2s -0.000152 -0.000695 -0.609358 -0.000698 -0.000016 0.000009 2C 3s 0.000039 0.000039 -0.030624 -0.000098 -0.001589 -0.000112 2C 4s -0.000318 -0.000461 0.012733 0.000391 0.010437 0.000624 2C 5s -0.000656 -0.000552 -0.023539 -0.000121 -0.024727 -0.003025 2C 1pz 0.000007 0.000008 -0.000393 -0.000007 -0.000079 -0.000012 2C 1px 0.000002 0.000000 -0.000027 -0.000001 -0.000037 0.000010 2C 1py 0.000002 0.000008 -0.000275 -0.000004 -0.000042 -0.000002 2C 2pz -0.000187 -0.000277 -0.000594 0.000179 0.004865 0.000483 2C 2px -0.000018 -0.000061 0.000101 0.000037 0.001318 -0.000217 2C 2py -0.000133 -0.000181 -0.000446 0.000117 0.003158 0.000188 2C 3pz -0.000201 -0.000066 -0.001527 0.000006 -0.004915 -0.000224 2C 3px -0.000052 0.000014 -0.000094 0.000005 -0.000815 -0.000652 2C 3py 0.000021 -0.000174 -0.001146 -0.000016 -0.003332 -0.000400 2C 1dz2 0.000002 -0.000011 -0.000017 0.000002 0.000083 0.000008 2C 1dxz -0.000001 -0.000005 0.000029 0.000003 0.000046 -0.000006 2C 1dyz -0.000009 -0.000004 -0.000064 0.000007 0.000121 0.000008 2C 1dx2y2 0.000007 0.000000 -0.000026 -0.000001 -0.000054 -0.000002 2C 1dxy 0.000002 -0.000004 -0.000023 0.000002 0.000019 -0.000004 2C 2dz2 -0.000063 -0.000037 -0.000014 0.000043 0.001205 0.000240 2C 2dxz -0.000025 -0.000019 -0.000340 0.000021 0.000359 -0.000135 2C 2dyz -0.000039 -0.000102 0.000154 0.000054 0.001972 0.000200 2C 2dx2y2 0.000005 0.000038 0.000288 -0.000021 -0.000308 -0.000060 2C 2dxy -0.000010 -0.000013 0.000041 0.000011 0.000471 -0.000102 2C 1f0 -0.000003 -0.000004 -0.000271 0.000002 0.000061 0.000022 2C 1f+1 -0.000004 -0.000008 -0.000127 0.000003 0.000076 -0.000012 2C 1f-1 -0.000005 -0.000011 -0.000455 0.000011 0.000290 0.000023 2C 1f+2 0.000005 0.000009 0.000706 -0.000005 -0.000163 -0.000009 2C 1f-2 -0.000002 -0.000005 -0.000777 0.000004 0.000116 -0.000039 2C 1f+3 -0.000001 0.000001 0.000613 0.000002 0.000030 0.000008 2C 1f-3 -0.000002 -0.000004 0.000104 0.000001 0.000025 0.000010 3C 1s -0.467550 -0.001704 0.000118 0.000209 -0.000001 -0.000000 3C 2s -0.609355 -0.002221 0.000154 0.000273 -0.000015 0.000005 3C 3s -0.030630 -0.000175 0.000084 0.000057 -0.001583 -0.000053 3C 4s 0.012726 0.000419 -0.000481 -0.000311 0.010420 0.000377 3C 5s -0.023338 -0.000167 -0.000463 -0.000702 -0.024694 -0.002942 3C 1pz -0.000276 -0.000005 0.000007 0.000001 -0.000024 -0.000002 3C 1px -0.000117 -0.000003 0.000002 0.000001 -0.000037 0.000013 3C 1py 0.000373 0.000008 -0.000008 -0.000008 0.000086 0.000003 3C 2pz -0.000537 0.000101 -0.000153 -0.000105 0.002591 0.000228 3C 2px -0.000128 0.000060 -0.000070 -0.000074 0.001978 -0.000224 3C 2py 0.000539 -0.000174 0.000280 0.000176 -0.004977 -0.000321 3C 3pz -0.001154 -0.000025 -0.000170 0.000027 -0.002896 -0.000147 3C 3px -0.000471 0.000004 -0.000081 -0.000056 -0.001968 -0.000701 3C 3py 0.001405 -0.000015 0.000050 0.000195 0.004820 0.000379 3C 1dz2 0.000028 -0.000001 0.000008 -0.000008 -0.000017 0.000002 3C 1dxz 0.000014 0.000002 -0.000002 -0.000006 0.000050 -0.000002 3C 1dyz 0.000078 -0.000005 0.000004 0.000006 -0.000103 -0.000009 3C 1dx2y2 -0.000012 -0.000002 0.000008 0.000001 -0.000089 -0.000007 3C 1dxy 0.000009 -0.000004 0.000003 0.000004 -0.000074 0.000005 3C 2dz2 -0.000102 -0.000015 -0.000005 0.000038 -0.000488 0.000027 3C 2dxz -0.000234 0.000022 -0.000045 -0.000009 0.000421 -0.000057 3C 2dyz -0.000250 -0.000045 0.000085 0.000030 -0.001842 -0.000200 3C 2dx2y2 0.000210 -0.000043 0.000044 0.000041 -0.001056 -0.000199 3C 2dxy 0.000152 -0.000032 0.000045 0.000035 -0.000938 0.000102 3C 1f0 -0.000159 -0.000007 0.000003 0.000002 -0.000159 -0.000012 3C 1f+1 -0.000148 -0.000001 -0.000002 -0.000002 0.000011 -0.000003 3C 1f-1 -0.000384 -0.000002 0.000001 -0.000001 -0.000023 -0.000021 3C 1f+2 0.000996 -0.000005 0.000008 0.000003 -0.000213 -0.000011 3C 1f-2 0.000738 -0.000004 0.000008 0.000006 -0.000171 0.000017 3C 1f+3 -0.000221 0.000006 -0.000010 -0.000005 0.000152 -0.000015 3C 1f-3 -0.000036 -0.000003 0.000006 0.000003 -0.000093 -0.000037 4C 1s 0.000000 0.000001 0.000390 0.000000 -0.000009 -0.000000 4C 2s 0.000003 0.000007 0.000441 -0.000003 -0.000195 -0.000005 4C 3s 0.000002 -0.000113 -0.000035 0.000130 0.004758 0.000128 4C 4s -0.000145 0.000364 -0.001600 -0.000629 -0.017578 -0.000635 4C 5s -0.000622 -0.000371 0.009606 0.000124 0.010726 0.001784 4C 1pz 0.000010 -0.000000 0.000295 -0.000007 -0.000048 -0.000010 4C 1px -0.000001 0.000002 0.000042 -0.000007 -0.000022 0.000010 4C 1py 0.000001 0.000012 0.000195 -0.000007 -0.000023 -0.000007 4C 2pz -0.000268 -0.000143 -0.003037 0.000068 0.003299 0.001002 4C 2px 0.000078 -0.000160 -0.000060 0.000182 0.001160 -0.001973 4C 2py -0.000106 -0.000200 -0.001885 0.000110 0.002326 -0.000123 4C 3pz -0.000710 -0.000766 -0.001540 0.000139 -0.013126 -0.002013 4C 3px -0.000095 -0.000245 0.001005 0.000053 -0.002841 0.003357 4C 3py -0.000791 -0.000274 -0.000665 0.000122 -0.008796 0.000111 4C 1dz2 -0.000011 -0.000005 0.000065 0.000003 0.000219 0.000036 4C 1dxz -0.000007 -0.000012 0.000062 0.000007 0.000150 -0.000046 4C 1dyz -0.000003 -0.000009 0.000119 0.000004 0.000285 0.000009 4C 1dx2y2 0.000005 0.000016 -0.000045 -0.000006 -0.000217 -0.000008 4C 1dxy 0.000003 0.000004 0.000036 0.000001 0.000018 -0.000039 4C 2dz2 0.000089 0.000151 0.001718 -0.000065 -0.001781 0.000572 4C 2dxz 0.000160 0.000056 0.001336 0.000046 0.000132 -0.001212 4C 2dyz 0.000073 0.000154 0.001738 -0.000095 -0.003785 -0.000121 4C 2dx2y2 -0.000135 -0.000125 -0.001759 -0.000008 -0.000364 -0.000026 4C 2dxy 0.000006 -0.000037 -0.000163 -0.000003 -0.001344 -0.000924 4C 1f0 0.000008 -0.000006 -0.000051 0.000008 0.000191 0.000052 4C 1f+1 0.000008 -0.000006 -0.000069 0.000012 0.000384 -0.000044 4C 1f-1 -0.000012 -0.000016 -0.000633 0.000009 0.000170 0.000019 4C 1f+2 -0.000005 0.000012 0.000220 -0.000020 -0.000362 -0.000056 4C 1f-2 0.000000 -0.000009 -0.000206 0.000007 0.000057 -0.000037 4C 1f+3 -0.000010 0.000002 -0.000144 -0.000005 -0.000035 -0.000060 4C 1f-3 0.000006 0.000004 0.000027 0.000004 0.000300 -0.000022 5C 1s 0.000391 0.000001 0.000000 -0.000000 -0.000009 -0.000000 5C 2s 0.000442 -0.000002 0.000006 0.000003 -0.000195 -0.000007 5C 3s -0.000037 0.000135 -0.000097 -0.000018 0.004715 0.000178 5C 4s -0.001573 -0.000665 0.000312 -0.000061 -0.017382 -0.000818 5C 5s 0.009517 0.000140 -0.000452 -0.000562 0.010941 0.001115 5C 1pz 0.000179 -0.000004 0.000011 -0.000003 -0.000016 0.000000 5C 1px 0.000100 -0.000007 -0.000002 0.000007 -0.000014 0.000013 5C 1py -0.000291 0.000007 -0.000002 -0.000008 0.000050 0.000003 5C 2pz -0.001883 0.000030 -0.000206 -0.000041 0.001972 0.000751 5C 2px -0.000774 0.000134 0.000069 -0.000223 0.001283 -0.002041 5C 2py 0.002934 -0.000083 0.000214 0.000174 -0.003487 -0.000545 5C 3pz -0.001101 0.000114 -0.000222 -0.000733 -0.007883 -0.001864 5C 3px 0.000490 0.000069 -0.000234 -0.000283 -0.004195 0.002914 5C 3py 0.001210 -0.000155 0.000816 0.000700 0.013054 0.001985 5C 1dz2 -0.000019 0.000002 -0.000009 0.000002 0.000020 0.000023 5C 1dxz 0.000055 0.000007 -0.000011 -0.000007 0.000188 -0.000024 5C 1dyz -0.000097 -0.000002 0.000005 -0.000000 -0.000228 -0.000034 5C 1dx2y2 -0.000072 -0.000005 0.000014 0.000012 -0.000271 -0.000038 5C 1dxy -0.000086 -0.000006 0.000005 0.000007 -0.000190 0.000045 5C 2dz2 0.000277 0.000030 0.000002 0.000052 0.001511 0.000453 5C 2dxz 0.001364 0.000010 0.000131 0.000060 -0.000375 -0.000617 5C 2dyz -0.001245 0.000100 -0.000077 -0.000067 0.003675 -0.000367 5C 2dx2y2 -0.002346 0.000016 -0.000134 -0.000191 0.000773 -0.000666 5C 2dxy -0.001368 0.000009 -0.000161 -0.000024 0.001648 0.001223 5C 1f0 0.000437 0.000003 0.000015 0.000007 0.000055 0.000038 5C 1f+1 0.000071 0.000005 -0.000003 0.000010 0.000240 -0.000010 5C 1f-1 0.000076 -0.000001 0.000000 0.000003 -0.000021 -0.000017 5C 1f+2 0.000394 -0.000009 0.000008 0.000009 -0.000106 -0.000066 5C 1f-2 0.000274 -0.000017 0.000002 0.000008 -0.000308 -0.000008 5C 1f+3 -0.000291 0.000010 -0.000012 0.000007 0.000363 -0.000056 5C 1f-3 0.000087 -0.000014 0.000004 -0.000004 -0.000350 -0.000063 6C 1s -0.000002 0.000391 -0.000000 0.000000 -0.000009 -0.000000 6C 2s -0.000006 0.000442 0.000003 0.000006 -0.000195 -0.000008 6C 3s 0.000135 -0.000035 -0.000014 -0.000093 0.004722 0.000168 6C 4s -0.000656 -0.001580 -0.000080 0.000293 -0.017426 -0.000445 6C 5s 0.000069 0.009526 -0.000576 -0.000461 0.011020 -0.000331 6C 1pz 0.000005 -0.000179 0.000003 -0.000012 0.000016 0.000001 6C 1px 0.000007 -0.000100 -0.000007 0.000002 0.000014 0.000014 6C 1py -0.000009 0.000291 0.000007 0.000002 -0.000049 -0.000001 6C 2pz -0.000044 0.001884 0.000041 0.000208 -0.002013 0.000605 6C 2px -0.000137 0.000764 0.000220 -0.000073 -0.001139 -0.002123 6C 2py 0.000104 -0.002935 -0.000173 -0.000217 0.003505 -0.000289 6C 3pz -0.000120 0.001108 0.000739 0.000224 0.008004 -0.001310 6C 3px -0.000066 -0.000514 0.000287 0.000240 0.003957 0.003213 6C 3py 0.000160 -0.001220 -0.000708 -0.000823 -0.013169 0.001065 6C 1dz2 0.000002 -0.000019 0.000002 -0.000009 0.000021 -0.000021 6C 1dxz 0.000006 0.000055 -0.000006 -0.000011 0.000186 0.000038 6C 1dyz -0.000001 -0.000097 -0.000000 0.000005 -0.000229 0.000017 6C 1dx2y2 -0.000005 -0.000072 0.000012 0.000014 -0.000273 0.000018 6C 1dxy -0.000005 -0.000086 0.000007 0.000005 -0.000186 -0.000059 6C 2dz2 0.000028 0.000279 0.000053 0.000003 0.001541 -0.000343 6C 2dxz 0.000000 0.001366 0.000060 0.000133 -0.000415 0.000587 6C 2dyz 0.000109 -0.001244 -0.000063 -0.000073 0.003638 0.000635 6C 2dx2y2 0.000032 -0.002346 -0.000190 -0.000134 0.000720 0.000721 6C 2dxy 0.000019 -0.001368 -0.000023 -0.000163 0.001732 -0.001099 6C 1f0 0.000000 -0.000437 -0.000006 -0.000016 -0.000058 0.000033 6C 1f+1 -0.000005 -0.000070 -0.000011 0.000003 -0.000239 -0.000028 6C 1f-1 0.000001 -0.000075 -0.000003 -0.000000 0.000022 -0.000016 6C 1f+2 0.000012 -0.000394 -0.000008 -0.000008 0.000111 -0.000058 6C 1f-2 0.000019 -0.000274 -0.000007 -0.000002 0.000309 0.000015 6C 1f+3 -0.000013 0.000291 -0.000007 0.000012 -0.000358 -0.000082 6C 1f-3 0.000014 -0.000086 0.000004 -0.000003 0.000355 -0.000037 7C 1s 0.000000 0.000000 -0.000001 0.000390 -0.000009 -0.000001 7C 2s 0.000007 0.000003 -0.000004 0.000441 -0.000195 -0.000009 7C 3s -0.000114 0.000001 0.000131 -0.000035 0.004762 0.000223 7C 4s 0.000371 -0.000141 -0.000629 -0.001602 -0.017617 -0.000660 7C 5s -0.000377 -0.000624 0.000100 0.009621 0.010829 -0.001031 7C 1pz 0.000001 -0.000010 0.000008 -0.000295 0.000048 -0.000007 7C 1px -0.000002 0.000001 0.000007 -0.000041 0.000020 0.000012 7C 1py -0.000012 -0.000001 0.000008 -0.000196 0.000023 -0.000005 7C 2pz 0.000139 0.000271 -0.000076 0.003038 -0.003350 0.000766 7C 2px 0.000156 -0.000080 -0.000178 0.000046 -0.001002 -0.002048 7C 2py 0.000198 0.000108 -0.000114 0.001888 -0.002315 -0.000285 7C 3pz 0.000753 0.000718 -0.000145 0.001560 0.013236 -0.001052 7C 3px 0.000243 0.000098 -0.000049 -0.001031 0.002571 0.003570 7C 3py 0.000264 0.000797 -0.000125 0.000664 0.008806 0.000759 7C 1dz2 -0.000005 -0.000011 0.000003 0.000064 0.000221 -0.000020 7C 1dxz -0.000012 -0.000007 0.000007 0.000062 0.000146 0.000057 7C 1dyz -0.000009 -0.000004 0.000004 0.000119 0.000284 0.000012 7C 1dx2y2 0.000017 0.000005 -0.000006 -0.000045 -0.000217 -0.000008 7C 1dxy 0.000004 0.000003 0.000001 0.000036 0.000014 0.000039 7C 2dz2 0.000148 0.000089 -0.000068 0.001711 -0.001720 -0.000696 7C 2dxz 0.000054 0.000162 0.000042 0.001331 0.000049 0.001221 7C 2dyz 0.000153 0.000075 -0.000100 0.001744 -0.003790 -0.000157 7C 2dx2y2 -0.000123 -0.000137 -0.000004 -0.001768 -0.000365 -0.000006 7C 2dxy -0.000035 0.000006 -0.000003 -0.000164 -0.001411 0.000825 7C 1f0 0.000006 -0.000008 -0.000008 0.000047 -0.000194 0.000037 7C 1f+1 0.000007 -0.000008 -0.000013 0.000067 -0.000379 -0.000072 7C 1f-1 0.000016 0.000012 -0.000010 0.000633 -0.000171 0.000007 7C 1f+2 -0.000012 0.000005 0.000021 -0.000222 0.000367 -0.000029 7C 1f-2 0.000009 -0.000000 -0.000007 0.000206 -0.000054 -0.000041 7C 1f+3 -0.000002 0.000010 0.000005 0.000144 0.000040 -0.000057 7C 1f-3 -0.000003 -0.000006 -0.000004 -0.000024 -0.000300 -0.000045 8C 1s 0.001704 -0.467550 0.000533 0.000053 -0.000001 0.000000 8C 2s 0.002221 -0.609354 0.000695 0.000069 -0.000015 -0.000006 8C 3s 0.000049 -0.030631 0.000077 0.000079 -0.001584 -0.000063 8C 4s 0.000326 0.012731 -0.000313 -0.000476 0.010420 0.000385 8C 5s 0.000000 -0.023356 -0.000698 -0.000467 -0.024873 0.001196 8C 1pz 0.000003 0.000276 -0.000002 -0.000007 0.000024 -0.000001 8C 1px 0.000002 0.000116 -0.000001 -0.000002 0.000037 0.000016 8C 1py -0.000005 -0.000374 0.000008 0.000008 -0.000086 -0.000003 8C 2pz -0.000104 0.000534 0.000103 0.000152 -0.002602 0.000040 8C 2px -0.000061 0.000124 0.000073 0.000068 -0.001961 -0.000367 8C 2py 0.000178 -0.000539 -0.000172 -0.000277 0.004981 0.000041 8C 3pz 0.000017 0.001152 -0.000027 0.000171 0.002901 0.000061 8C 3px -0.000008 0.000470 0.000055 0.000080 0.002016 -0.000562 8C 3py 0.000024 -0.001411 -0.000196 -0.000050 -0.004841 0.000036 8C 1dz2 -0.000002 0.000028 -0.000008 0.000008 -0.000017 -0.000003 8C 1dxz 0.000002 0.000014 -0.000006 -0.000002 0.000050 0.000006 8C 1dyz -0.000006 0.000078 0.000006 0.000004 -0.000103 0.000001 8C 1dx2y2 -0.000002 -0.000012 0.000001 0.000008 -0.000089 0.000000 8C 1dxy -0.000004 0.000009 0.000004 0.000003 -0.000074 -0.000010 8C 2dz2 -0.000014 -0.000103 0.000038 -0.000006 -0.000485 -0.000062 8C 2dxz 0.000024 -0.000237 -0.000008 -0.000045 0.000414 0.000087 8C 2dyz -0.000043 -0.000253 0.000029 0.000084 -0.001851 0.000068 8C 2dx2y2 -0.000044 0.000208 0.000040 0.000043 -0.001068 0.000123 8C 2dxy -0.000033 0.000154 0.000034 0.000044 -0.000926 -0.000169 8C 1f0 0.000006 0.000163 -0.000002 -0.000003 0.000159 -0.000000 8C 1f+1 -0.000000 0.000133 0.000002 0.000002 -0.000010 -0.000003 8C 1f-1 -0.000001 0.000381 0.000000 -0.000001 0.000025 -0.000020 8C 1f+2 0.000013 -0.000991 -0.000002 -0.000008 0.000214 0.000005 8C 1f-2 0.000009 -0.000750 -0.000005 -0.000008 0.000169 0.000030 8C 1f+3 -0.000007 0.000215 0.000005 0.000010 -0.000151 -0.000026 8C 1f-3 0.000003 0.000030 -0.000003 -0.000006 0.000096 -0.000030 9C 1s -0.000209 -0.000053 0.000536 -0.467554 -0.000001 0.000000 9C 2s -0.000271 -0.000070 0.000698 -0.609358 -0.000016 -0.000011 9C 3s 0.000060 0.000045 -0.000028 -0.030625 -0.001594 -0.000002 9C 4s -0.000469 -0.000329 0.000363 0.012730 0.010455 0.000132 9C 5s -0.000517 -0.000656 -0.000063 -0.023569 -0.024909 0.001246 9C 1pz -0.000008 -0.000007 0.000006 0.000393 0.000079 -0.000007 9C 1px 0.000000 -0.000002 0.000001 0.000026 0.000036 0.000012 9C 1py -0.000008 -0.000002 0.000004 0.000274 0.000044 0.000001 9C 2pz 0.000276 0.000191 -0.000181 0.000598 -0.004869 0.000133 9C 2px 0.000060 0.000018 -0.000036 -0.000103 -0.001292 -0.000311 9C 2py 0.000180 0.000136 -0.000119 0.000440 -0.003193 -0.000038 9C 3pz 0.000060 0.000203 -0.000009 0.001536 0.004912 0.000135 9C 3px -0.000014 0.000053 -0.000006 0.000093 0.000848 -0.000595 9C 3py 0.000173 -0.000018 0.000012 0.001142 0.003374 -0.000158 9C 1dz2 -0.000011 0.000002 0.000002 -0.000017 0.000083 -0.000002 9C 1dxz -0.000005 -0.000001 0.000002 0.000029 0.000046 0.000009 9C 1dyz -0.000004 -0.000009 0.000007 -0.000064 0.000122 0.000001 9C 1dx2y2 0.000000 0.000007 -0.000001 -0.000026 -0.000054 -0.000002 9C 1dxy -0.000004 0.000002 0.000003 -0.000023 0.000019 0.000006 9C 2dz2 -0.000036 -0.000063 0.000043 -0.000011 0.001210 -0.000154 9C 2dxz -0.000018 -0.000026 0.000022 -0.000344 0.000340 0.000161 9C 2dyz -0.000102 -0.000040 0.000054 0.000154 0.001988 -0.000060 9C 2dx2y2 0.000038 0.000006 -0.000022 0.000290 -0.000318 0.000039 9C 2dxy -0.000013 -0.000010 0.000011 0.000040 0.000461 0.000136 9C 1f0 0.000003 0.000003 -0.000003 0.000268 -0.000060 0.000018 9C 1f+1 0.000008 0.000004 -0.000003 0.000131 -0.000074 -0.000017 9C 1f-1 0.000011 0.000006 -0.000012 0.000447 -0.000290 0.000002 9C 1f+2 -0.000008 -0.000005 0.000007 -0.000730 0.000165 0.000004 9C 1f-2 0.000005 0.000002 -0.000006 0.000766 -0.000112 -0.000048 9C 1f+3 -0.000000 0.000001 -0.000000 -0.000600 -0.000031 0.000006 9C 1f-3 0.000004 0.000002 -0.000001 -0.000131 -0.000026 0.000009 10H 1s 0.000003 0.000003 0.000346 -0.000001 -0.000051 -0.000006 10H 2s -0.000028 -0.000001 0.001041 0.000012 -0.000205 0.000115 10H 3s 0.000049 0.000026 0.003599 0.000011 0.001928 0.000637 10H 1pz -0.000002 0.000003 0.000666 -0.000003 -0.000146 0.000026 10H 1px 0.000001 -0.000003 -0.001125 -0.000001 0.000077 -0.000021 10H 1py -0.000001 0.000001 0.000190 -0.000002 -0.000093 0.000019 11H 1s 0.000001 -0.000001 0.000399 -0.000001 0.000006 -0.000023 11H 2s 0.000014 -0.000008 0.001785 0.000002 0.000422 0.000283 11H 3s -0.000005 0.000072 0.003952 0.000052 0.001985 0.000267 11H 1pz 0.000005 0.000004 0.000858 -0.000002 -0.000106 0.000034 11H 1px 0.000003 -0.000001 0.000960 -0.000002 0.000002 0.000022 11H 1py -0.000001 0.000004 -0.000659 -0.000000 -0.000042 -0.000015 12H 1s -0.000001 0.000001 0.000384 0.000000 -0.000015 -0.000024 12H 2s -0.000009 -0.000003 0.001637 -0.000002 0.000260 0.000299 12H 3s 0.000081 0.000000 0.003828 0.000036 0.001918 0.000188 12H 1pz 0.000004 0.000000 -0.000333 -0.000002 -0.000086 -0.000001 12H 1px -0.000001 0.000002 0.000645 -0.000002 0.000007 0.000021 12H 1py 0.000000 0.000005 0.001225 -0.000003 -0.000111 0.000036 13H 1s 0.000353 0.000000 0.000003 0.000001 -0.000053 -0.000002 13H 2s 0.001086 0.000017 -0.000030 -0.000005 -0.000148 0.000088 13H 3s 0.003587 0.000017 0.000022 0.000069 0.002021 0.000504 13H 1pz 0.000836 0.000001 -0.000002 0.000001 -0.000136 0.000029 13H 1px -0.000939 -0.000004 0.000001 0.000001 0.000029 -0.000010 13H 1py -0.000436 0.000001 0.000001 -0.000000 0.000115 -0.000013 14H 1s 0.000375 0.000001 0.000002 -0.000000 -0.000023 -0.000021 14H 2s 0.001524 -0.000002 0.000019 -0.000003 0.000229 0.000248 14H 3s 0.003767 0.000046 -0.000048 0.000071 0.001884 0.000115 14H 1pz 0.000631 -0.000001 0.000004 0.000002 -0.000109 0.000010 14H 1px 0.001233 -0.000000 0.000007 -0.000001 -0.000045 0.000029 14H 1py 0.000227 0.000003 -0.000000 -0.000003 0.000077 -0.000001 15H 1s 0.000405 -0.000000 -0.000001 -0.000001 0.000010 -0.000017 15H 2s 0.001782 0.000004 -0.000014 0.000009 0.000474 0.000220 15H 3s 0.003965 0.000072 0.000060 0.000011 0.001970 0.000250 15H 1pz -0.000947 -0.000001 0.000006 -0.000000 -0.000055 -0.000015 15H 1px 0.000287 -0.000001 0.000001 0.000001 -0.000012 0.000000 15H 1py -0.001050 -0.000000 -0.000001 -0.000004 0.000091 -0.000032 16H 1s -0.000002 0.000002 -0.000002 -0.000002 0.000023 -0.000050 16H 2s 0.000097 0.000002 -0.000021 0.000029 0.001398 -0.000585 16H 3s 0.000031 -0.000004 -0.000105 -0.000033 -0.000194 -0.000354 16H 1pz 0.000021 -0.000000 0.000000 0.000000 0.000205 -0.000130 16H 1px -0.000002 -0.000004 -0.000003 0.000003 -0.000047 0.000011 16H 1py -0.000001 0.000002 -0.000003 0.000001 -0.000009 -0.000010 17H 1s -0.000005 -0.000003 0.000002 0.000001 0.000023 -0.000050 17H 2s 0.000075 0.000020 0.000017 0.000017 0.001443 -0.000606 17H 3s 0.000002 -0.000093 0.000052 -0.000021 -0.000205 -0.000321 17H 1pz -0.000012 0.000000 0.000005 -0.000004 -0.000133 0.000095 17H 1px 0.000001 -0.000005 -0.000001 -0.000004 -0.000197 0.000113 17H 1py -0.000002 0.000004 0.000001 -0.000001 0.000026 -0.000033 18H 1s -0.000003 -0.000005 0.000001 0.000002 0.000019 0.000052 18H 2s 0.000021 0.000074 0.000016 0.000014 0.001392 0.000707 18H 3s -0.000092 0.000003 -0.000022 0.000052 -0.000229 0.000305 18H 1pz -0.000000 0.000012 0.000004 -0.000005 0.000127 0.000105 18H 1px 0.000006 -0.000001 0.000004 0.000001 0.000187 0.000126 18H 1py -0.000004 0.000002 0.000001 -0.000001 -0.000018 -0.000031 19H 1s 0.000002 -0.000002 -0.000002 -0.000002 0.000019 0.000052 19H 2s 0.000001 0.000096 0.000029 -0.000022 0.001357 0.000689 19H 3s -0.000004 0.000033 -0.000033 -0.000106 -0.000219 0.000338 19H 1pz 0.000000 -0.000020 -0.000000 -0.000000 -0.000195 -0.000145 19H 1px 0.000004 0.000002 -0.000003 0.000003 0.000047 0.000016 19H 1py -0.000002 0.000000 -0.000001 0.000003 0.000005 -0.000013 20H 1s -0.000003 0.000405 -0.000001 -0.000001 0.000008 0.000018 20H 2s -0.000009 0.001783 0.000008 -0.000014 0.000488 -0.000191 20H 3s 0.000043 0.003966 0.000010 0.000061 0.001987 -0.000108 20H 1pz -0.000006 0.000948 -0.000000 -0.000006 0.000056 -0.000012 20H 1px 0.000003 -0.000297 -0.000001 -0.000001 0.000011 0.000002 20H 1py -0.000007 0.001047 0.000004 0.000001 -0.000089 -0.000039 21H 1s -0.000001 0.000376 -0.000001 0.000002 -0.000024 0.000019 21H 2s -0.000013 0.001532 -0.000005 0.000018 0.000254 -0.000235 21H 3s 0.000019 0.003772 0.000071 -0.000047 0.001891 0.000015 21H 1pz 0.000005 -0.000640 -0.000001 -0.000004 0.000107 0.000019 21H 1px 0.000009 -0.001230 0.000002 -0.000007 0.000041 0.000033 21H 1py -0.000002 -0.000231 0.000003 -0.000000 -0.000077 -0.000006 22H 1s -0.000002 0.000352 0.000000 0.000003 -0.000053 -0.000002 22H 2s 0.000009 0.001082 -0.000006 -0.000031 -0.000144 -0.000103 22H 3s -0.000009 0.003588 0.000066 0.000022 0.002054 -0.000363 22H 1pz 0.000005 -0.000829 -0.000001 0.000002 0.000133 0.000039 22H 1px -0.000003 0.000942 -0.000002 -0.000001 -0.000029 -0.000013 22H 1py -0.000005 0.000440 0.000000 -0.000001 -0.000115 -0.000022 23H 1s 0.000001 -0.000001 -0.000001 0.000384 -0.000016 0.000023 23H 2s -0.000002 -0.000009 -0.000005 0.001649 0.000292 -0.000284 23H 3s -0.000007 0.000080 0.000028 0.003838 0.001927 -0.000055 23H 1pz -0.000001 -0.000004 0.000001 0.000338 0.000086 0.000005 23H 1px -0.000001 0.000001 0.000003 -0.000629 -0.000010 0.000020 23H 1py -0.000004 0.000000 0.000005 -0.001234 0.000106 0.000045 24H 1s -0.000001 0.000001 -0.000002 0.000398 0.000004 0.000024 24H 2s -0.000009 0.000014 -0.000002 0.001785 0.000439 -0.000259 24H 3s 0.000068 -0.000007 0.000042 0.003950 0.002007 -0.000123 24H 1pz -0.000004 -0.000005 0.000004 -0.000851 0.000104 0.000043 24H 1px 0.000002 -0.000003 0.000004 -0.000975 -0.000004 0.000023 24H 1py -0.000004 0.000001 -0.000001 0.000645 0.000042 -0.000012 25H 1s 0.000002 0.000003 -0.000001 0.000346 -0.000052 0.000003 25H 2s -0.000002 -0.000029 0.000009 0.001039 -0.000201 -0.000135 25H 3s 0.000023 0.000048 0.000002 0.003602 0.001971 -0.000503 25H 1pz -0.000003 0.000003 0.000004 -0.000672 0.000145 0.000037 25H 1px 0.000002 -0.000001 -0.000002 0.001123 -0.000075 -0.000027 25H 1py -0.000001 0.000001 0.000002 -0.000179 0.000090 0.000026 26O 1s 0.000000 0.000000 -0.000003 -0.000000 -0.000160 0.000147 26O 2s -0.000001 -0.000003 0.000044 0.000004 -0.000253 0.000284 26O 3s 0.000014 0.000028 -0.000521 -0.000035 -0.000957 0.000071 26O 4s -0.000042 -0.000087 0.002145 0.000132 0.004024 -0.001323 26O 5s 0.000510 0.000693 -0.001330 -0.000411 -0.000082 0.006545 26O 1pz 0.000003 0.000001 0.000061 -0.000000 0.000158 -0.000209 26O 1px 0.000003 0.000002 0.000041 -0.000006 0.000087 0.000051 26O 1py -0.000001 0.000007 0.000064 -0.000004 0.000131 -0.000109 26O 2pz -0.000021 -0.000025 -0.000480 0.000006 0.001165 -0.000775 26O 2px -0.000017 -0.000033 -0.000526 0.000023 -0.000915 -0.000950 26O 2py -0.000014 -0.000043 -0.000534 0.000017 0.000379 -0.000844 26O 3pz -0.000097 0.000076 -0.000123 -0.000172 -0.000842 0.003742 26O 3px -0.000285 -0.000232 0.000004 -0.000042 -0.002213 -0.000623 26O 3py -0.000046 -0.000089 0.000128 -0.000137 -0.001137 0.002048 26O 1dz2 0.000002 -0.000002 0.000010 0.000002 -0.000071 0.000047 26O 1dxz 0.000003 -0.000001 -0.000034 -0.000002 -0.000013 0.000018 26O 1dyz 0.000001 0.000002 0.000004 0.000002 -0.000114 0.000084 26O 1dx2y2 0.000001 -0.000002 0.000008 0.000001 0.000036 -0.000025 26O 1dxy 0.000003 -0.000001 -0.000008 0.000000 -0.000010 0.000017 26O 2dz2 -0.000011 0.000005 -0.000032 -0.000009 0.000414 -0.000505 26O 2dxz -0.000004 0.000012 0.000235 0.000003 0.000123 -0.000269 26O 2dyz -0.000004 -0.000004 0.000061 -0.000011 0.000983 -0.000781 26O 2dx2y2 -0.000003 0.000009 -0.000048 0.000001 0.000005 0.000340 26O 2dxy -0.000010 0.000010 0.000101 0.000000 0.000351 -0.000122 26O 1f0 0.000001 0.000004 -0.000001 -0.000001 0.000020 -0.000036 26O 1f+1 -0.000001 -0.000002 -0.000022 0.000001 0.000107 -0.000041 26O 1f-1 -0.000000 -0.000000 0.000012 -0.000001 0.000262 -0.000242 26O 1f+2 -0.000001 -0.000001 -0.000000 0.000000 -0.000135 0.000130 26O 1f-2 -0.000003 -0.000001 -0.000001 0.000000 0.000104 -0.000071 26O 1f+3 -0.000001 -0.000001 0.000002 0.000001 0.000073 -0.000027 26O 1f-3 -0.000001 -0.000001 -0.000019 0.000001 0.000067 -0.000017 27O 1s -0.000003 -0.000000 0.000000 0.000000 -0.000156 0.000143 27O 2s 0.000043 0.000004 -0.000001 -0.000003 -0.000247 0.000277 27O 3s -0.000515 -0.000040 0.000018 0.000022 -0.000934 0.000049 27O 4s 0.002122 0.000147 -0.000062 -0.000060 0.003919 -0.001186 27O 5s -0.001042 -0.000310 0.000363 0.000799 0.000819 0.006746 27O 1pz 0.000044 -0.000001 0.000005 0.000002 0.000096 -0.000135 27O 1px 0.000065 -0.000005 -0.000002 0.000008 0.000130 0.000023 27O 1py -0.000059 0.000001 0.000004 -0.000006 -0.000163 0.000186 27O 2pz -0.000279 0.000007 -0.000025 -0.000021 0.000799 -0.000370 27O 2px -0.000700 0.000006 0.000026 -0.000093 -0.000948 -0.001182 27O 2py 0.000513 -0.000002 -0.000006 0.000051 -0.000919 0.000862 27O 3pz 0.000107 -0.000102 -0.000061 0.000184 0.000331 0.002401 27O 3px 0.000002 -0.000122 -0.000137 -0.000321 -0.001945 -0.000290 27O 3py 0.000290 0.000155 0.000039 -0.000012 0.000543 -0.003406 27O 1dz2 0.000000 -0.000000 -0.000000 -0.000003 0.000014 -0.000016 27O 1dxz -0.000015 -0.000001 0.000002 0.000002 -0.000033 0.000031 27O 1dyz -0.000020 -0.000002 -0.000003 0.000002 0.000105 -0.000077 27O 1dx2y2 -0.000001 -0.000001 0.000002 -0.000002 0.000070 -0.000049 27O 1dxy 0.000031 0.000001 -0.000001 0.000000 0.000055 -0.000048 27O 2dz2 -0.000045 -0.000003 0.000005 -0.000001 -0.000341 0.000067 27O 2dxz 0.000117 -0.000000 -0.000001 -0.000009 0.000162 -0.000340 27O 2dyz 0.000044 0.000009 0.000016 -0.000005 -0.000893 0.000669 27O 2dx2y2 0.000006 0.000013 -0.000019 0.000025 -0.000213 0.000563 27O 2dxy -0.000249 -0.000005 0.000002 -0.000013 -0.000540 0.000459 27O 1f0 -0.000015 -0.000000 0.000001 0.000001 -0.000157 0.000134 27O 1f+1 -0.000013 0.000001 -0.000001 0.000000 0.000048 -0.000003 27O 1f-1 -0.000007 -0.000000 0.000002 -0.000002 -0.000041 0.000045 27O 1f+2 -0.000010 0.000001 -0.000001 -0.000001 -0.000143 0.000173 27O 1f-2 0.000004 -0.000001 0.000001 -0.000000 -0.000163 0.000128 27O 1f+3 -0.000018 0.000001 -0.000005 0.000000 0.000191 -0.000109 27O 1f-3 0.000005 0.000000 -0.000001 -0.000003 -0.000067 0.000060 28O 1s 0.000000 0.000000 -0.000003 -0.000000 -0.000145 -0.000153 28O 2s -0.000003 -0.000002 0.000038 0.000006 -0.000226 -0.000295 28O 3s 0.000017 0.000024 -0.000492 -0.000070 -0.000913 -0.000075 28O 4s -0.000035 -0.000078 0.002015 0.000235 0.003725 0.001284 28O 5s 0.000808 0.000390 0.000569 -0.000186 0.002146 -0.006462 28O 1pz 0.000008 -0.000004 0.000075 -0.000004 0.000184 0.000157 28O 1px -0.000005 -0.000000 -0.000059 0.000001 -0.000051 0.000120 28O 1py 0.000003 0.000004 0.000033 -0.000003 0.000094 0.000140 28O 2pz -0.000086 0.000016 -0.000783 -0.000018 0.000183 0.001291 28O 2px 0.000065 -0.000020 0.000581 0.000040 0.001476 -0.000548 28O 2py -0.000036 -0.000019 -0.000290 0.000008 0.000696 0.000609 28O 3pz -0.000205 -0.000045 -0.001266 -0.000224 -0.001346 -0.002695 28O 3px 0.000305 0.000102 -0.000180 0.000149 0.001770 -0.001832 28O 3py 0.000109 -0.000065 -0.000641 -0.000098 -0.000372 -0.002479 28O 1dz2 0.000002 -0.000002 -0.000030 -0.000003 -0.000068 -0.000058 28O 1dxz 0.000002 -0.000003 0.000024 0.000003 -0.000033 -0.000024 28O 1dyz 0.000001 0.000003 0.000004 -0.000004 -0.000108 -0.000098 28O 1dx2y2 0.000001 -0.000000 0.000020 -0.000001 0.000033 0.000027 28O 1dxy -0.000003 -0.000000 0.000030 0.000000 -0.000024 -0.000019 28O 2dz2 -0.000002 0.000010 0.000241 0.000014 0.000520 0.000564 28O 2dxz -0.000030 0.000018 -0.000214 -0.000034 -0.000102 0.000279 28O 2dyz -0.000001 -0.000014 0.000080 0.000019 0.000920 0.000850 28O 2dx2y2 0.000007 -0.000009 -0.000085 0.000016 0.000039 -0.000342 28O 2dxy 0.000005 -0.000002 -0.000174 -0.000004 0.000218 0.000126 28O 1f0 -0.000001 -0.000002 -0.000019 0.000002 0.000073 0.000024 28O 1f+1 0.000003 0.000002 0.000006 0.000002 0.000065 0.000061 28O 1f-1 -0.000001 -0.000001 -0.000006 0.000002 0.000233 0.000248 28O 1f+2 -0.000001 0.000005 0.000010 -0.000004 -0.000182 -0.000129 28O 1f-2 0.000001 0.000001 0.000014 0.000000 0.000066 0.000097 28O 1f+3 0.000002 0.000002 0.000009 -0.000001 -0.000005 0.000043 28O 1f-3 0.000001 -0.000000 -0.000012 0.000001 0.000028 0.000019 29O 1s -0.000000 -0.000000 0.000000 -0.000000 -0.000042 0.000040 29O 2s 0.000002 0.000000 -0.000000 0.000001 -0.000056 0.000124 29O 3s -0.000020 -0.000004 -0.000000 -0.000013 -0.000264 -0.000605 29O 4s 0.000099 0.000035 0.000026 0.000066 0.002066 0.001417 29O 5s -0.000363 -0.000140 -0.000102 -0.000205 -0.006311 -0.002108 29O 1pz -0.000002 0.000003 -0.000008 0.000001 0.000018 -0.000050 29O 1px -0.000001 0.000002 -0.000002 0.000000 -0.000064 0.000144 29O 1py 0.000002 -0.000004 -0.000003 -0.000002 -0.000052 0.000033 29O 2pz 0.000020 -0.000011 0.000038 -0.000006 0.000157 0.000076 29O 2px -0.000007 -0.000014 0.000006 -0.000007 -0.000418 -0.000192 29O 2py -0.000006 0.000023 0.000010 0.000008 0.000242 -0.000136 29O 3pz -0.000022 -0.000011 -0.000185 -0.000003 -0.000707 -0.000466 29O 3px 0.000067 0.000111 0.000052 0.000093 0.002360 0.001086 29O 3py 0.000150 -0.000043 -0.000023 0.000013 0.001375 -0.000472 29O 1dz2 0.000000 0.000001 -0.000001 -0.000001 0.000019 -0.000023 29O 1dxz -0.000000 -0.000002 -0.000003 -0.000000 0.000008 -0.000024 29O 1dyz 0.000000 0.000001 -0.000003 0.000000 0.000001 -0.000005 29O 1dx2y2 0.000001 0.000002 0.000002 0.000002 0.000010 0.000025 29O 1dxy 0.000002 -0.000001 -0.000001 -0.000000 -0.000016 0.000020 29O 2dz2 -0.000006 -0.000002 0.000003 0.000003 -0.000133 0.000127 29O 2dxz 0.000001 0.000005 0.000010 0.000001 -0.000069 0.000123 29O 2dyz -0.000006 -0.000002 0.000012 0.000000 -0.000007 0.000023 29O 2dx2y2 -0.000003 -0.000008 -0.000007 -0.000007 -0.000056 -0.000094 29O 2dxy -0.000004 0.000003 0.000002 0.000003 0.000136 -0.000127 29O 1f0 0.000001 0.000000 -0.000001 0.000001 0.000006 0.000004 29O 1f+1 0.000000 0.000000 -0.000000 -0.000000 0.000009 -0.000010 29O 1f-1 0.000002 0.000001 0.000000 0.000001 0.000049 -0.000029 29O 1f+2 -0.000002 -0.000000 0.000000 0.000000 0.000020 -0.000024 29O 1f-2 0.000001 0.000001 0.000001 0.000000 0.000041 -0.000028 29O 1f+3 -0.000002 0.000000 0.000001 -0.000001 0.000013 -0.000022 29O 1f-3 -0.000001 0.000000 -0.000000 0.000000 0.000012 -0.000013 30O 1s -0.000003 -0.000000 0.000000 0.000000 -0.000148 -0.000157 30O 2s 0.000038 0.000006 -0.000003 -0.000002 -0.000230 -0.000300 30O 3s -0.000491 -0.000069 0.000025 0.000022 -0.000929 -0.000113 30O 4s 0.002014 0.000235 -0.000071 -0.000073 0.003795 0.001482 30O 5s 0.000280 -0.000262 0.000719 0.000500 0.000843 -0.006574 30O 1pz 0.000064 -0.000004 0.000007 -0.000002 0.000118 0.000092 30O 1px -0.000039 0.000001 -0.000002 -0.000000 -0.000011 0.000158 30O 1py -0.000063 0.000004 -0.000003 -0.000002 -0.000161 -0.000174 30O 2pz -0.000587 -0.000005 -0.000049 0.000001 0.000116 0.000904 30O 2px 0.000416 0.000032 0.000027 -0.000008 0.001466 -0.000314 30O 2py 0.000663 0.000008 0.000052 0.000012 -0.000567 -0.001195 30O 3pz -0.000451 -0.000191 -0.000130 -0.000070 -0.001637 -0.001702 30O 3px -0.000296 0.000081 0.000245 0.000157 0.001356 -0.002328 30O 3py 0.001177 0.000209 0.000008 0.000209 0.001706 0.003014 30O 1dz2 -0.000015 0.000001 0.000002 -0.000002 0.000028 0.000022 30O 1dxz 0.000003 0.000001 0.000002 -0.000002 -0.000041 -0.000032 30O 1dyz 0.000006 0.000004 -0.000001 -0.000003 0.000089 0.000081 30O 1dx2y2 0.000037 0.000002 0.000001 -0.000003 0.000061 0.000052 30O 1dxy -0.000033 -0.000002 0.000001 0.000000 0.000066 0.000052 30O 2dz2 0.000062 -0.000006 -0.000008 0.000009 -0.000303 -0.000113 30O 2dxz -0.000050 -0.000018 -0.000015 0.000008 0.000065 0.000335 30O 2dyz -0.000167 -0.000027 -0.000004 0.000012 -0.000921 -0.000733 30O 2dx2y2 -0.000247 -0.000003 -0.000009 0.000008 -0.000322 -0.000580 30O 2dxy 0.000205 0.000019 0.000006 0.000002 -0.000316 -0.000485 30O 1f0 -0.000006 0.000001 -0.000000 -0.000001 -0.000101 -0.000149 30O 1f+1 -0.000012 0.000001 0.000000 0.000000 0.000008 0.000003 30O 1f-1 0.000001 -0.000001 0.000002 0.000000 -0.000047 -0.000040 30O 1f+2 0.000013 -0.000002 0.000002 0.000003 -0.000197 -0.000167 30O 1f-2 -0.000004 -0.000003 0.000000 -0.000000 -0.000165 -0.000150 30O 1f+3 0.000008 0.000001 0.000004 0.000000 0.000111 0.000142 30O 1f-3 0.000022 -0.000003 0.000001 0.000002 -0.000110 -0.000048 31O 1s -0.000000 -0.000003 0.000000 0.000000 -0.000159 0.000145 31O 2s 0.000006 0.000038 -0.000002 -0.000003 -0.000251 0.000282 31O 3s -0.000066 -0.000492 0.000022 0.000025 -0.000937 0.000044 31O 4s 0.000220 0.002014 -0.000074 -0.000069 0.003902 -0.001191 31O 5s -0.000264 0.000297 0.000512 0.000729 0.000377 0.006575 31O 1pz 0.000004 -0.000064 0.000002 -0.000007 -0.000124 0.000082 31O 1px -0.000001 0.000039 0.000000 0.000002 -0.000000 0.000158 31O 1py -0.000004 0.000063 0.000002 0.000004 0.000173 -0.000161 31O 2pz 0.000001 0.000587 0.000001 0.000051 -0.000181 0.000893 31O 2px -0.000029 -0.000419 0.000007 -0.000029 -0.001443 -0.000420 31O 2py -0.000003 -0.000664 -0.000013 -0.000055 0.000652 -0.001150 31O 3pz 0.000189 0.000463 0.000071 0.000134 0.001772 -0.001577 31O 3px -0.000083 0.000300 -0.000164 -0.000252 -0.001187 -0.002412 31O 3py -0.000201 -0.001188 -0.000211 -0.000009 -0.001935 0.002880 31O 1dz2 0.000001 -0.000015 -0.000002 0.000002 0.000029 -0.000020 31O 1dxz 0.000001 0.000003 -0.000002 0.000002 -0.000043 0.000028 31O 1dyz 0.000004 0.000007 -0.000003 -0.000001 0.000095 -0.000075 31O 1dx2y2 0.000002 0.000037 -0.000003 0.000001 0.000065 -0.000047 31O 1dxy -0.000001 -0.000033 0.000000 0.000001 0.000070 -0.000047 31O 2dz2 -0.000006 0.000063 0.000008 -0.000008 -0.000312 0.000091 31O 2dxz -0.000017 -0.000051 0.000007 -0.000016 0.000087 -0.000329 31O 2dyz -0.000026 -0.000168 0.000011 -0.000005 -0.000975 0.000665 31O 2dx2y2 -0.000002 -0.000247 0.000009 -0.000009 -0.000364 0.000556 31O 2dxy 0.000018 0.000205 0.000002 0.000007 -0.000349 0.000460 31O 1f0 -0.000001 0.000006 0.000001 0.000000 0.000112 -0.000141 31O 1f+1 -0.000001 0.000012 -0.000000 -0.000000 -0.000008 0.000002 31O 1f-1 0.000001 -0.000001 -0.000000 -0.000001 0.000049 -0.000036 31O 1f+2 0.000002 -0.000014 -0.000003 -0.000002 0.000209 -0.000153 31O 1f-2 0.000003 0.000004 0.000000 -0.000000 0.000176 -0.000138 31O 1f+3 -0.000001 -0.000008 -0.000000 -0.000004 -0.000121 0.000134 31O 1f-3 0.000003 -0.000022 -0.000002 -0.000001 0.000113 -0.000039 32O 1s -0.000000 -0.000000 -0.000000 0.000000 -0.000039 -0.000043 32O 2s 0.000000 0.000002 0.000001 -0.000000 -0.000047 -0.000128 32O 3s -0.000004 -0.000020 -0.000013 -0.000000 -0.000309 0.000582 32O 4s 0.000034 0.000100 0.000065 0.000026 0.002172 -0.001255 32O 5s -0.000139 -0.000363 -0.000203 -0.000099 -0.006461 0.001630 32O 1pz -0.000003 0.000002 -0.000001 0.000008 -0.000015 -0.000051 32O 1px -0.000002 0.000001 -0.000000 0.000002 0.000053 0.000148 32O 1py 0.000004 -0.000003 0.000002 0.000003 0.000050 0.000037 32O 2pz 0.000012 -0.000019 0.000007 -0.000039 -0.000157 0.000065 32O 2px 0.000014 0.000007 0.000008 -0.000006 0.000433 -0.000159 32O 2py -0.000023 0.000006 -0.000008 -0.000010 -0.000231 -0.000153 32O 3pz 0.000012 0.000022 0.000001 0.000185 0.000755 -0.000399 32O 3px -0.000111 -0.000066 -0.000095 -0.000053 -0.002434 0.000909 32O 3py 0.000043 -0.000150 -0.000011 0.000027 -0.001340 -0.000573 32O 1dz2 0.000001 0.000000 -0.000001 -0.000001 0.000017 0.000024 32O 1dxz -0.000002 -0.000000 -0.000000 -0.000003 0.000007 0.000025 32O 1dyz 0.000001 0.000000 0.000000 -0.000003 0.000001 0.000005 32O 1dx2y2 0.000002 0.000001 0.000002 0.000002 0.000012 -0.000024 32O 1dxy -0.000001 0.000002 -0.000000 -0.000001 -0.000014 -0.000021 32O 2dz2 -0.000003 -0.000005 0.000004 0.000003 -0.000123 -0.000137 32O 2dxz 0.000005 0.000001 0.000001 0.000010 -0.000061 -0.000129 32O 2dyz -0.000001 -0.000006 0.000000 0.000011 -0.000013 -0.000028 32O 2dx2y2 -0.000008 -0.000003 -0.000007 -0.000008 -0.000065 0.000088 32O 2dxy 0.000003 -0.000004 0.000003 0.000002 0.000123 0.000135 32O 1f0 -0.000000 -0.000001 -0.000001 0.000001 -0.000004 0.000005 32O 1f+1 -0.000000 -0.000000 0.000000 0.000000 -0.000006 -0.000009 32O 1f-1 -0.000001 -0.000002 -0.000001 -0.000000 -0.000048 -0.000034 32O 1f+2 0.000000 0.000002 -0.000000 -0.000000 -0.000016 -0.000024 32O 1f-2 -0.000001 -0.000001 -0.000000 -0.000001 -0.000039 -0.000031 32O 1f+3 -0.000000 0.000001 0.000001 -0.000001 -0.000012 -0.000024 32O 1f-3 -0.000000 0.000001 -0.000000 0.000000 -0.000011 -0.000014 33O 1s 0.000000 0.000000 -0.000000 -0.000003 -0.000155 0.000142 33O 2s -0.000002 -0.000003 0.000006 0.000038 -0.000247 0.000277 33O 3s 0.000024 0.000017 -0.000069 -0.000492 -0.000916 0.000007 33O 4s -0.000079 -0.000036 0.000229 0.002016 0.003807 -0.000999 33O 5s 0.000387 0.000818 -0.000189 0.000590 0.001697 0.006595 33O 1pz 0.000004 -0.000008 0.000004 -0.000076 -0.000195 0.000143 33O 1px 0.000000 0.000005 -0.000001 0.000060 0.000042 0.000124 33O 1py -0.000004 -0.000003 0.000003 -0.000032 -0.000103 0.000132 33O 2pz -0.000016 0.000087 0.000016 0.000784 -0.000276 0.001276 33O 2px 0.000020 -0.000065 -0.000038 -0.000584 -0.001435 -0.000657 33O 2py 0.000019 0.000036 -0.000009 0.000289 -0.000738 0.000558 33O 3pz 0.000042 0.000204 0.000219 0.001274 0.001545 -0.002586 33O 3px -0.000101 -0.000308 -0.000148 0.000176 -0.001638 -0.001957 33O 3py 0.000065 -0.000110 0.000098 0.000663 0.000556 -0.002446 33O 1dz2 -0.000002 0.000002 -0.000003 -0.000030 -0.000073 0.000054 33O 1dxz -0.000003 0.000002 0.000003 0.000024 -0.000034 0.000022 33O 1dyz 0.000003 0.000001 -0.000004 0.000004 -0.000115 0.000090 33O 1dx2y2 -0.000000 0.000001 -0.000001 0.000020 0.000035 -0.000024 33O 1dxy -0.000000 -0.000003 0.000000 0.000031 -0.000025 0.000017 33O 2dz2 0.000010 -0.000002 0.000013 0.000240 0.000560 -0.000525 33O 2dxz 0.000018 -0.000030 -0.000033 -0.000215 -0.000083 -0.000286 33O 2dyz -0.000014 -0.000001 0.000019 0.000082 0.000982 -0.000781 33O 2dx2y2 -0.000009 0.000007 0.000016 -0.000085 0.000014 0.000345 33O 2dxy -0.000002 0.000005 -0.000003 -0.000177 0.000224 -0.000110 33O 1f0 0.000002 0.000001 -0.000002 0.000019 -0.000075 0.000018 33O 1f+1 -0.000002 -0.000003 -0.000002 -0.000006 -0.000069 0.000056 33O 1f-1 0.000001 0.000001 -0.000002 0.000006 -0.000251 0.000230 33O 1f+2 -0.000005 0.000001 0.000004 -0.000010 0.000191 -0.000115 33O 1f-2 -0.000001 -0.000001 -0.000000 -0.000015 -0.000073 0.000092 33O 1f+3 -0.000002 -0.000002 0.000001 -0.000009 0.000002 0.000044 33O 1f-3 0.000000 -0.000001 -0.000001 0.000012 -0.000030 0.000017 34O 1s -0.000000 -0.000003 0.000000 0.000000 -0.000145 -0.000154 34O 2s 0.000003 0.000043 -0.000003 -0.000001 -0.000226 -0.000294 34O 3s -0.000037 -0.000516 0.000022 0.000018 -0.000930 -0.000119 34O 4s 0.000133 0.002127 -0.000060 -0.000062 0.003831 0.001482 34O 5s -0.000299 -0.001063 0.000803 0.000368 0.001293 -0.006693 34O 1pz 0.000001 -0.000044 -0.000002 -0.000005 -0.000085 -0.000142 34O 1px 0.000006 -0.000064 -0.000008 0.000001 -0.000131 0.000013 34O 1py -0.000001 0.000059 0.000006 -0.000004 0.000149 0.000197 34O 2pz -0.000009 0.000279 0.000022 0.000025 -0.000770 -0.000428 34O 2px -0.000011 0.000698 0.000094 -0.000025 0.001032 -0.001109 34O 2py 0.000005 -0.000515 -0.000051 0.000006 0.000852 0.000929 34O 3pz 0.000102 -0.000109 -0.000186 0.000062 -0.000505 0.002380 34O 3px 0.000124 -0.000005 0.000326 0.000141 0.001964 -0.000143 34O 3py -0.000152 -0.000278 0.000009 -0.000041 -0.000287 -0.003454 34O 1dz2 -0.000000 0.000000 -0.000003 -0.000000 0.000013 0.000017 34O 1dxz -0.000001 -0.000015 0.000002 0.000002 -0.000031 -0.000033 34O 1dyz -0.000002 -0.000019 0.000002 -0.000003 0.000098 0.000084 34O 1dx2y2 -0.000001 -0.000001 -0.000002 0.000002 0.000066 0.000054 34O 1dxy 0.000001 0.000030 -0.000000 -0.000001 0.000052 0.000051 34O 2dz2 -0.000003 -0.000045 -0.000001 0.000005 -0.000335 -0.000092 34O 2dxz -0.000001 0.000117 -0.000009 -0.000001 0.000136 0.000351 34O 2dyz 0.000008 0.000043 -0.000005 0.000016 -0.000840 -0.000731 34O 2dx2y2 0.000013 0.000006 0.000025 -0.000019 -0.000171 -0.000576 34O 2dxy -0.000004 -0.000248 -0.000013 0.000002 -0.000504 -0.000497 34O 1f0 0.000000 0.000015 -0.000001 -0.000001 0.000147 0.000145 34O 1f+1 -0.000001 0.000013 -0.000000 0.000001 -0.000047 -0.000007 34O 1f-1 0.000000 0.000007 0.000002 -0.000002 0.000038 0.000048 34O 1f+2 -0.000001 0.000011 0.000001 0.000001 0.000129 0.000183 34O 1f-2 0.000001 -0.000004 0.000000 -0.000001 0.000153 0.000140 34O 1f+3 -0.000002 0.000018 -0.000000 0.000005 -0.000183 -0.000123 34O 1f-3 -0.000000 -0.000005 0.000003 0.000001 0.000063 0.000065 35O 1s 0.000000 0.000000 -0.000000 -0.000003 -0.000149 -0.000159 35O 2s -0.000003 -0.000001 0.000003 0.000044 -0.000232 -0.000303 35O 3s 0.000029 0.000015 -0.000035 -0.000522 -0.000950 -0.000143 35O 4s -0.000088 -0.000043 0.000129 0.002150 0.003922 0.001626 35O 5s 0.000683 0.000516 -0.000404 -0.001351 0.000428 -0.006530 35O 1pz -0.000000 -0.000003 0.000001 -0.000061 -0.000143 -0.000221 35O 1px -0.000002 -0.000003 0.000006 -0.000041 -0.000091 0.000044 35O 1py -0.000007 0.000001 0.000004 -0.000063 -0.000123 -0.000119 35O 2pz 0.000023 0.000022 -0.000007 0.000483 -0.001104 -0.000860 35O 2px 0.000030 0.000017 -0.000023 0.000524 0.000987 -0.000878 35O 2py 0.000042 0.000014 -0.000018 0.000534 -0.000313 -0.000869 35O 3pz -0.000076 0.000096 0.000170 0.000104 0.000558 0.003808 35O 3px 0.000227 0.000286 0.000045 -0.000012 0.002268 -0.000450 35O 3py 0.000088 0.000047 0.000139 -0.000127 0.000986 0.002138 35O 1dz2 -0.000002 0.000002 0.000002 0.000009 -0.000067 -0.000052 35O 1dxz -0.000001 0.000003 -0.000002 -0.000034 -0.000011 -0.000019 35O 1dyz 0.000002 0.000001 0.000002 0.000004 -0.000108 -0.000092 35O 1dx2y2 -0.000002 0.000001 0.000001 0.000009 0.000034 0.000028 35O 1dxy -0.000001 0.000003 -0.000000 -0.000008 -0.000009 -0.000018 35O 2dz2 0.000005 -0.000011 -0.000009 -0.000032 0.000374 0.000532 35O 2dxz 0.000011 -0.000004 0.000003 0.000233 0.000102 0.000277 35O 2dyz -0.000004 -0.000004 -0.000011 0.000061 0.000923 0.000851 35O 2dx2y2 0.000009 -0.000003 0.000001 -0.000049 0.000031 -0.000338 35O 2dxy 0.000009 -0.000010 0.000001 0.000102 0.000343 0.000149 35O 1f0 -0.000004 -0.000001 0.000001 0.000001 -0.000018 -0.000037 35O 1f+1 0.000002 0.000001 -0.000001 0.000022 -0.000104 -0.000048 35O 1f-1 0.000000 0.000000 0.000001 -0.000012 -0.000244 -0.000261 35O 1f+2 0.000001 0.000001 -0.000000 -0.000000 0.000125 0.000140 35O 1f-2 0.000001 0.000003 -0.000000 0.000001 -0.000099 -0.000079 35O 1f+3 0.000001 0.000001 -0.000001 -0.000001 -0.000071 -0.000033 35O 1f-3 0.000001 0.000001 -0.000001 0.000019 -0.000066 -0.000022 48 49 50 51 52 53 -1.87157 -1.87137 -1.86993 -1.86919 -1.86879 -1.84827 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s 0.000001 -0.000001 0.000382 0.000067 -0.000205 -0.000297 0Rh 2s 0.000008 0.000002 -0.001455 -0.000261 0.000783 0.001183 0Rh 3s 0.000009 -0.000005 0.001273 0.000218 -0.000679 -0.000968 0Rh 4s -0.000035 -0.000002 0.005506 0.000989 -0.002965 -0.004779 0Rh 5s 0.000057 -0.000009 -0.003147 -0.000580 0.001686 0.004129 0Rh 6s -0.000016 -0.000036 -0.007521 -0.001328 0.004121 0.003971 0Rh 7s -0.000113 -0.000003 0.000752 0.000329 -0.000582 -0.001807 0Rh 8s -0.000421 0.001652 0.003656 0.000605 -0.002555 0.006251 0Rh 1pz 0.128050 -0.001580 0.068908 -0.101673 0.014245 0.037385 0Rh 1px 0.037487 0.027697 -0.102432 -0.060207 0.047898 -0.120375 0Rh 1py 0.006313 -0.131052 0.027823 0.036064 0.114943 -0.024171 0Rh 2pz -0.420262 0.005184 -0.226151 0.333709 -0.046759 -0.122742 0Rh 2px -0.123032 -0.090898 0.336151 0.197597 -0.157188 0.395203 0Rh 2py -0.020720 0.430116 -0.091321 -0.118369 -0.377256 0.079359 0Rh 3pz 0.298228 -0.003656 0.160545 -0.236782 0.033113 0.087300 0Rh 3px 0.087293 0.064457 -0.238753 -0.140235 0.111708 -0.281055 0Rh 3py 0.014694 -0.305204 0.064706 0.083977 0.267720 -0.056463 0Rh 4pz 0.385760 -0.004818 0.206967 -0.306796 0.043494 0.112634 0Rh 4px 0.112941 0.083526 -0.306168 -0.181102 0.142877 -0.362603 0Rh 4py 0.019045 -0.394837 0.084520 0.108872 0.346398 -0.072749 0Rh 5pz 0.172872 -0.002068 0.094060 -0.136908 0.018523 0.050427 0Rh 5px 0.050642 0.037334 -0.141875 -0.081904 0.066682 -0.162596 0Rh 5py 0.008502 -0.176942 0.036822 0.048519 0.155362 -0.032674 0Rh 6pz 0.010823 -0.000396 0.003600 -0.005017 0.000630 0.002714 0Rh 6px 0.003084 0.003045 -0.006790 -0.003239 0.003145 -0.009117 0Rh 6py 0.000295 -0.010558 -0.000295 0.001519 0.006032 -0.001835 0Rh 1dz2 -0.000134 -0.000014 0.000373 0.000047 -0.000176 -0.000306 0Rh 1dxz 0.000230 -0.000026 0.000513 0.000117 -0.000279 -0.000376 0Rh 1dyz 0.000052 0.000073 0.000098 0.000020 -0.000029 -0.000075 0Rh 1dx2y2 0.000057 0.000099 -0.000757 -0.000105 0.000403 0.000596 0Rh 1dxy 0.000024 -0.000248 -0.000283 -0.000055 0.000111 0.000240 0Rh 2dz2 0.000010 0.000003 -0.000029 -0.000030 0.000024 -0.000038 0Rh 2dxz -0.000001 -0.000001 -0.000014 0.000021 -0.000004 -0.000006 0Rh 2dyz -0.000007 -0.000011 -0.000003 0.000014 0.000018 -0.000007 0Rh 2dx2y2 -0.000018 -0.000012 0.000042 0.000038 -0.000011 0.000045 0Rh 2dxy -0.000004 0.000023 0.000004 -0.000007 -0.000054 0.000022 0Rh 3dz2 0.000244 0.000006 -0.000285 -0.000072 0.000152 0.000447 0Rh 3dxz -0.000459 0.000044 -0.000594 -0.000016 0.000260 0.000418 0Rh 3dyz -0.000061 -0.000134 -0.000079 -0.000010 0.000040 0.000098 0Rh 3dx2y2 -0.000080 -0.000146 0.000718 0.000090 -0.000375 -0.000772 0Rh 3dxy -0.000035 0.000427 0.000212 0.000022 -0.000144 -0.000323 0Rh 4dz2 -0.000015 0.000058 -0.000849 0.000005 0.000319 0.000739 0Rh 4dxz 0.000092 0.000022 -0.000866 -0.000493 0.000607 0.001061 0Rh 4dyz -0.000064 0.000070 -0.000228 -0.000099 -0.000035 0.000206 0Rh 4dx2y2 0.000021 -0.000037 0.001528 0.000138 -0.000829 -0.001534 0Rh 4dxy -0.000007 -0.000001 0.000672 0.000181 -0.000022 -0.000635 0Rh 5dz2 0.000513 -0.000019 -0.001378 0.000087 0.000652 -0.000241 0Rh 5dxz -0.001038 0.000100 -0.001602 -0.000621 0.001063 -0.000281 0Rh 5dyz -0.000214 -0.000395 -0.000411 -0.000102 0.000073 -0.000095 0Rh 5dx2y2 -0.000272 -0.000514 0.002513 0.000249 -0.001471 0.000355 0Rh 5dxy -0.000108 0.001031 0.001200 0.000321 -0.000136 0.000239 0Rh 1f0 0.000473 0.000461 0.000314 -0.000642 -0.000408 0.000949 0Rh 1f+1 0.000443 0.000062 -0.000115 -0.000736 0.000320 -0.000835 0Rh 1f-1 -0.000494 0.000415 -0.000364 0.000241 -0.000346 -0.000194 0Rh 1f+2 0.000203 0.000374 -0.000480 -0.000215 -0.000161 -0.001124 0Rh 1f-2 -0.000145 0.000140 -0.000252 0.000179 0.000090 -0.000511 0Rh 1f+3 -0.000090 0.000159 -0.000578 -0.000212 0.000002 -0.001424 0Rh 1f-3 0.000155 -0.000375 -0.000068 -0.000010 0.000854 -0.000985 1Rh 1s 0.000006 -0.000011 0.000387 0.000067 -0.000208 0.000288 1Rh 2s -0.000032 0.000046 -0.001474 -0.000264 0.000796 -0.001149 1Rh 3s 0.000014 -0.000037 0.001291 0.000220 -0.000690 0.000937 1Rh 4s 0.000126 -0.000179 0.005581 0.001003 -0.003016 0.004650 1Rh 5s -0.000107 0.000113 -0.003207 -0.000592 0.001726 -0.004055 1Rh 6s -0.000112 0.000278 -0.007587 -0.001337 0.004173 -0.003798 1Rh 7s 0.000115 -0.000014 0.000770 0.000339 -0.000594 0.001826 1Rh 8s 0.000440 -0.001732 0.003463 0.000521 -0.002609 -0.006347 1Rh 1pz 0.117572 -0.000537 -0.072935 0.110552 -0.016345 0.038128 1Rh 1px 0.036210 0.022281 0.100455 0.063429 -0.045792 -0.122705 1Rh 1py 0.006234 -0.120720 -0.035769 -0.040408 -0.122289 -0.024625 1Rh 2pz -0.385876 0.001761 0.239369 -0.362849 0.053653 -0.125180 1Rh 2px -0.118841 -0.073124 -0.329664 -0.208175 0.150278 0.402855 1Rh 2py -0.020459 0.396206 0.117402 0.132625 0.401367 0.080847 1Rh 3pz 0.273841 -0.001227 -0.169934 0.257473 -0.038004 0.089042 1Rh 3px 0.084327 0.051844 0.234167 0.147747 -0.106815 -0.286518 1Rh 3py 0.014511 -0.281160 -0.083216 -0.094097 -0.284842 -0.057525 1Rh 4pz 0.354149 -0.001695 -0.219078 0.333515 -0.049825 0.114842 1Rh 4px 0.109037 0.067270 0.300179 0.190796 -0.136506 -0.369533 1Rh 4py 0.018791 -0.363627 -0.108454 -0.121947 -0.368500 -0.074097 1Rh 5pz 0.158742 -0.000631 -0.099497 0.148915 -0.021361 0.051449 1Rh 5px 0.048984 0.029914 0.139190 0.086260 -0.063842 -0.165807 1Rh 5py 0.008409 -0.163049 -0.047561 -0.054392 -0.165298 -0.033298 1Rh 6pz 0.010290 -0.000329 -0.003977 0.005769 -0.000815 0.002756 1Rh 6px 0.003058 0.002712 0.006742 0.003562 -0.002960 -0.009308 1Rh 6py 0.000343 -0.010122 -0.000352 -0.001883 -0.006637 -0.001883 1Rh 1dz2 0.000142 0.000001 0.000374 0.000058 -0.000181 0.000295 1Rh 1dxz -0.000222 0.000008 0.000531 0.000103 -0.000280 0.000361 1Rh 1dyz -0.000050 -0.000077 0.000097 0.000014 -0.000034 0.000072 1Rh 1dx2y2 -0.000072 -0.000074 -0.000772 -0.000115 0.000406 -0.000573 1Rh 1dxy -0.000029 0.000259 -0.000273 -0.000048 0.000130 -0.000232 1Rh 2dz2 -0.000009 -0.000002 -0.000028 -0.000031 0.000023 0.000039 1Rh 2dxz -0.000001 0.000002 -0.000014 0.000022 -0.000004 0.000006 1Rh 2dyz 0.000007 0.000009 -0.000002 0.000015 0.000018 0.000007 1Rh 2dx2y2 0.000017 0.000009 0.000040 0.000040 -0.000009 -0.000045 1Rh 2dxy 0.000004 -0.000019 0.000002 -0.000008 -0.000055 -0.000022 1Rh 3dz2 -0.000247 0.000004 -0.000288 -0.000091 0.000162 -0.000435 1Rh 3dxz 0.000440 -0.000024 -0.000625 0.000013 0.000259 -0.000398 1Rh 3dyz 0.000060 0.000136 -0.000077 -0.000001 0.000049 -0.000094 1Rh 3dx2y2 0.000095 0.000122 0.000744 0.000104 -0.000380 0.000745 1Rh 3dxy 0.000039 -0.000431 0.000196 0.000010 -0.000176 0.000312 1Rh 4dz2 -0.000014 -0.000028 -0.000859 -0.000000 0.000321 -0.000720 1Rh 4dxz -0.000081 0.000011 -0.000877 -0.000502 0.000616 -0.001034 1Rh 4dyz 0.000061 -0.000050 -0.000235 -0.000097 -0.000037 -0.000202 1Rh 4dx2y2 0.000015 -0.000008 0.001549 0.000142 -0.000839 0.001494 1Rh 4dxy 0.000018 -0.000043 0.000678 0.000181 -0.000030 0.000620 1Rh 5dz2 -0.000563 0.000057 -0.001357 0.000048 0.000663 0.000266 1Rh 5dxz 0.001032 -0.000048 -0.001648 -0.000553 0.001046 0.000317 1Rh 5dyz 0.000208 0.000418 -0.000399 -0.000071 0.000098 0.000107 1Rh 5dx2y2 0.000328 0.000445 0.002533 0.000291 -0.001448 -0.000403 1Rh 5dxy 0.000128 -0.001101 0.001134 0.000289 -0.000199 -0.000257 1Rh 1f0 0.000418 0.000430 -0.000318 0.000686 0.000438 0.000991 1Rh 1f+1 0.000378 0.000048 0.000117 0.000760 -0.000323 -0.000870 1Rh 1f-1 -0.000459 0.000387 0.000407 -0.000260 0.000384 -0.000199 1Rh 1f+2 0.000220 0.000331 0.000510 0.000260 0.000168 -0.001177 1Rh 1f-2 -0.000122 0.000145 0.000271 -0.000177 -0.000074 -0.000528 1Rh 1f+3 -0.000088 0.000113 0.000614 0.000209 -0.000009 -0.001491 1Rh 1f-3 0.000143 -0.000313 0.000053 0.000014 -0.000866 -0.001018 2C 1s 0.000006 -0.000004 -0.000001 -0.000000 0.000000 -0.000000 2C 2s 0.000023 -0.000015 -0.000003 0.000001 -0.000000 0.000000 2C 3s -0.000409 0.000287 0.000183 -0.000026 -0.000032 -0.000043 2C 4s 0.002228 -0.001547 -0.001091 0.000120 0.000238 0.000232 2C 5s -0.001748 0.001059 -0.002184 -0.000038 0.001121 -0.000102 2C 1pz -0.000048 0.000033 0.000019 0.000005 -0.000005 0.000003 2C 1px -0.000014 0.000011 0.000009 -0.000005 -0.000001 -0.000009 2C 1py -0.000031 0.000018 0.000012 -0.000007 -0.000003 -0.000005 2C 2pz 0.000838 -0.000554 -0.000456 -0.000043 0.000118 0.000079 2C 2px 0.000230 -0.000190 -0.000138 0.000055 0.000030 -0.000071 2C 2py 0.000563 -0.000346 -0.000291 0.000079 0.000082 0.000049 2C 3pz -0.000156 0.000171 -0.000743 -0.000133 0.000718 -0.000070 2C 3px -0.000099 0.000333 -0.000567 0.000550 -0.000680 0.000363 2C 3py -0.000279 -0.000101 -0.000741 -0.000042 0.000145 0.000070 2C 1dz2 0.000006 -0.000016 -0.000011 0.000012 -0.000016 0.000006 2C 1dxz 0.000007 -0.000006 0.000013 -0.000014 0.000017 -0.000006 2C 1dyz 0.000022 -0.000007 0.000001 0.000000 0.000002 0.000001 2C 1dx2y2 -0.000012 -0.000001 0.000007 -0.000006 0.000011 -0.000001 2C 1dxy -0.000001 -0.000008 0.000010 -0.000015 0.000013 -0.000004 2C 2dz2 0.000188 -0.000095 -0.000055 -0.000073 0.000126 -0.000032 2C 2dxz 0.000008 0.000002 -0.000109 0.000118 -0.000110 0.000125 2C 2dyz 0.000273 -0.000203 -0.000194 -0.000004 0.000059 -0.000022 2C 2dx2y2 -0.000032 0.000027 0.000025 0.000039 -0.000039 -0.000070 2C 2dxy 0.000063 0.000018 -0.000093 0.000064 -0.000082 0.000065 2C 1f0 0.000008 -0.000017 -0.000004 -0.000006 0.000008 -0.000014 2C 1f+1 0.000016 -0.000015 -0.000011 0.000005 0.000002 0.000007 2C 1f-1 0.000032 -0.000022 -0.000017 0.000002 0.000003 0.000006 2C 1f+2 -0.000030 0.000021 0.000019 0.000002 -0.000007 0.000004 2C 1f-2 0.000012 -0.000008 -0.000014 0.000008 -0.000007 0.000019 2C 1f+3 0.000002 0.000003 0.000006 -0.000001 -0.000006 0.000003 2C 1f-3 0.000015 -0.000006 -0.000005 -0.000004 0.000005 -0.000009 3C 1s 0.000004 0.000006 -0.000001 0.000000 0.000001 0.000000 3C 2s 0.000014 0.000023 0.000000 0.000001 0.000002 0.000000 3C 3s -0.000301 -0.000453 0.000160 0.000019 -0.000113 0.000005 3C 4s 0.001626 0.002501 -0.000987 -0.000196 0.000639 -0.000035 3C 5s -0.000754 -0.001489 -0.002312 -0.000921 0.000647 0.000377 3C 1pz -0.000011 -0.000024 0.000008 0.000004 -0.000004 0.000003 3C 1px -0.000016 -0.000023 0.000004 0.000001 -0.000013 -0.000010 3C 1py 0.000037 0.000056 -0.000022 -0.000004 0.000006 -0.000004 3C 2pz 0.000259 0.000525 -0.000228 -0.000114 0.000109 0.000014 3C 2px 0.000267 0.000398 -0.000169 -0.000057 0.000173 -0.000087 3C 2py -0.000632 -0.001015 0.000502 0.000168 -0.000191 0.000042 3C 3pz 0.000276 -0.000181 -0.000628 -0.000401 0.000029 -0.000060 3C 3px -0.000127 -0.000053 -0.000266 0.000765 0.000619 0.000350 3C 3py 0.000187 0.000106 0.000866 0.000414 -0.000369 -0.000072 3C 1dz2 -0.000012 0.000006 0.000003 0.000007 0.000009 0.000002 3C 1dxz 0.000003 0.000012 -0.000003 -0.000002 -0.000004 -0.000002 3C 1dyz -0.000008 -0.000022 0.000001 -0.000005 -0.000006 -0.000001 3C 1dx2y2 -0.000011 -0.000012 -0.000003 -0.000016 -0.000013 -0.000003 3C 1dxy -0.000006 -0.000015 0.000006 0.000028 0.000018 0.000008 3C 2dz2 -0.000011 -0.000109 0.000035 -0.000042 -0.000061 -0.000021 3C 2dxz 0.000023 0.000087 -0.000057 0.000023 0.000039 0.000101 3C 2dyz -0.000180 -0.000285 0.000190 0.000114 -0.000048 0.000096 3C 2dx2y2 -0.000107 -0.000177 0.000117 0.000139 0.000016 0.000033 3C 2dxy -0.000094 -0.000150 0.000072 -0.000112 -0.000157 -0.000056 3C 1f0 -0.000006 -0.000017 0.000004 -0.000002 0.000000 0.000001 3C 1f+1 0.000004 0.000010 -0.000008 -0.000003 0.000001 -0.000008 3C 1f-1 0.000008 -0.000005 -0.000000 0.000006 0.000004 0.000006 3C 1f+2 -0.000026 -0.000029 0.000020 0.000006 -0.000012 0.000006 3C 1f-2 -0.000023 -0.000033 0.000020 -0.000000 -0.000013 -0.000002 3C 1f+3 0.000019 0.000032 -0.000013 -0.000002 0.000013 0.000010 3C 1f-3 -0.000020 -0.000016 0.000009 0.000013 0.000001 0.000019 4C 1s 0.000226 -0.000140 -0.000076 -0.000009 0.000035 -0.000005 4C 2s 0.000415 -0.000256 -0.000149 -0.000021 0.000069 -0.000008 4C 3s -0.000038 0.000041 -0.000234 -0.000068 0.000130 0.000048 4C 4s -0.002040 0.001100 0.002371 0.000651 -0.001263 -0.000227 4C 5s 0.005391 -0.003379 -0.000938 0.000118 0.000870 -0.000268 4C 1pz -0.000409 0.000242 0.000206 -0.000072 0.000042 -0.000043 4C 1px -0.000093 0.000063 -0.000184 0.000264 -0.000319 0.000143 4C 1py -0.000272 0.000193 0.000060 0.000058 -0.000097 0.000027 4C 2pz 0.000715 -0.000234 -0.000187 0.000364 -0.000404 0.000099 4C 2px -0.000171 -0.000219 0.000540 -0.000583 0.000798 -0.000145 4C 2py 0.000151 -0.000499 0.000082 -0.000015 0.000060 0.000007 4C 3pz 0.002080 -0.001300 -0.003159 0.000579 0.000847 0.000448 4C 3px 0.000493 -0.001114 0.000111 -0.001389 0.001969 -0.001297 4C 3py 0.001571 -0.001027 -0.001792 -0.000119 0.001247 -0.000223 4C 1dz2 0.000006 0.000015 -0.000008 -0.000023 0.000043 -0.000013 4C 1dxz -0.000004 0.000001 -0.000080 0.000022 -0.000017 0.000031 4C 1dyz -0.000033 0.000013 0.000004 -0.000003 -0.000005 -0.000001 4C 1dx2y2 -0.000005 0.000009 0.000062 0.000014 -0.000050 -0.000001 4C 1dxy -0.000023 0.000008 0.000009 0.000043 -0.000049 0.000021 4C 2dz2 -0.000307 0.000265 0.000124 0.000005 -0.000101 0.000019 4C 2dxz -0.000274 0.000124 0.000145 -0.000090 0.000086 -0.000086 4C 2dyz -0.000570 0.000372 0.000358 0.000012 -0.000132 -0.000024 4C 2dx2y2 0.000153 -0.000121 0.000034 0.000049 -0.000017 -0.000006 4C 2dxy -0.000210 0.000042 0.000175 0.000045 0.000047 -0.000086 4C 1f0 0.000022 -0.000015 -0.000016 -0.000034 0.000024 0.000041 4C 1f+1 0.000037 -0.000049 -0.000071 0.000009 0.000019 -0.000027 4C 1f-1 -0.000006 0.000011 0.000011 0.000018 -0.000016 0.000016 4C 1f+2 -0.000016 0.000031 0.000018 0.000038 -0.000046 -0.000031 4C 1f-2 0.000004 0.000023 -0.000002 0.000002 -0.000014 -0.000041 4C 1f+3 -0.000021 -0.000022 -0.000023 0.000016 -0.000052 -0.000037 4C 1f-3 0.000077 0.000004 -0.000071 -0.000003 0.000003 -0.000001 5C 1s 0.000140 0.000227 -0.000066 -0.000002 0.000044 0.000003 5C 2s 0.000257 0.000415 -0.000127 -0.000003 0.000086 0.000008 5C 3s -0.000021 0.000012 -0.000367 -0.000017 0.000152 -0.000040 5C 4s -0.001211 -0.002201 0.002961 0.000050 -0.001411 0.000104 5C 5s 0.003305 0.005259 -0.000282 -0.000160 0.001028 -0.000250 5C 1pz -0.000165 -0.000241 0.000047 -0.000113 -0.000132 -0.000048 5C 1px -0.000122 -0.000162 0.000125 0.000372 0.000229 0.000138 5C 1py 0.000244 0.000417 -0.000102 0.000060 0.000130 0.000030 5C 2pz 0.000298 0.000303 0.000158 0.000230 0.000206 0.000016 5C 2px 0.000655 0.000068 -0.000283 -0.001043 -0.000692 -0.000158 5C 2py -0.000213 -0.000772 -0.000161 -0.000015 -0.000118 0.000021 5C 3pz 0.000659 0.001677 -0.001378 0.000132 0.001278 0.000601 5C 3px 0.001031 0.000518 -0.001114 -0.002161 -0.000838 -0.001159 5C 3py -0.001551 -0.002464 0.002446 0.000413 -0.001591 -0.000507 5C 1dz2 0.000021 0.000016 -0.000048 -0.000019 0.000009 -0.000009 5C 1dxz 0.000012 -0.000000 -0.000036 0.000018 0.000052 0.000015 5C 1dyz 0.000015 0.000026 -0.000014 0.000026 0.000030 0.000017 5C 1dx2y2 0.000011 -0.000011 0.000077 0.000045 -0.000016 0.000016 5C 1dxy -0.000005 0.000010 0.000021 -0.000050 -0.000043 -0.000028 5C 2dz2 0.000004 0.000123 -0.000146 0.000079 0.000089 0.000023 5C 2dxz -0.000117 -0.000249 -0.000043 -0.000015 -0.000019 -0.000066 5C 2dyz 0.000400 0.000581 -0.000427 -0.000123 0.000149 -0.000071 5C 2dx2y2 0.000335 0.000372 -0.000110 -0.000215 -0.000010 -0.000043 5C 2dxy 0.000161 0.000390 -0.000075 0.000025 0.000172 0.000071 5C 1f0 0.000016 0.000042 -0.000041 -0.000040 0.000009 0.000018 5C 1f+1 -0.000017 0.000055 -0.000046 0.000030 0.000032 -0.000007 5C 1f-1 -0.000013 0.000009 -0.000007 0.000002 -0.000005 -0.000018 5C 1f+2 0.000022 -0.000024 -0.000005 0.000041 0.000024 -0.000040 5C 1f-2 -0.000034 -0.000023 0.000056 0.000016 -0.000000 0.000020 5C 1f+3 0.000018 0.000035 -0.000034 0.000027 0.000062 -0.000046 5C 1f-3 -0.000055 -0.000048 0.000075 0.000019 -0.000018 -0.000037 6C 1s -0.000142 -0.000225 -0.000073 -0.000020 0.000033 -0.000002 6C 2s -0.000260 -0.000412 -0.000142 -0.000037 0.000065 -0.000005 6C 3s 0.000010 -0.000002 -0.000362 -0.000014 0.000148 0.000051 6C 4s 0.001303 0.002124 0.003000 0.000208 -0.001288 -0.000191 6C 5s -0.003251 -0.005265 -0.000474 -0.000597 0.000757 0.000272 6C 1pz -0.000172 -0.000249 -0.000056 0.000092 0.000121 -0.000046 6C 1px -0.000103 -0.000127 -0.000127 -0.000385 -0.000238 0.000140 6C 1py 0.000249 0.000419 0.000118 -0.000026 -0.000109 0.000026 6C 2pz 0.000303 0.000326 -0.000141 -0.000190 -0.000191 0.000017 6C 2px 0.000602 -0.000021 0.000250 0.001080 0.000687 -0.000166 6C 2py -0.000202 -0.000780 0.000112 -0.000038 0.000074 0.000022 6C 3pz 0.000694 0.001649 0.001472 -0.000010 -0.001197 0.000569 6C 3px 0.000921 0.000317 0.001090 0.002228 0.000860 -0.001186 6C 3py -0.001577 -0.002354 -0.002557 -0.000622 0.001476 -0.000451 6C 1dz2 -0.000021 -0.000013 -0.000048 -0.000021 0.000008 0.000010 6C 1dxz -0.000014 -0.000002 -0.000035 0.000017 0.000052 -0.000014 6C 1dyz -0.000017 -0.000028 -0.000015 0.000024 0.000028 -0.000016 6C 1dx2y2 -0.000011 0.000006 0.000077 0.000044 -0.000015 -0.000018 6C 1dxy 0.000009 -0.000007 0.000020 -0.000050 -0.000044 0.000027 6C 2dz2 -0.000014 -0.000124 -0.000150 0.000074 0.000081 -0.000018 6C 2dxz 0.000114 0.000248 -0.000027 0.000005 -0.000006 0.000067 6C 2dyz -0.000406 -0.000560 -0.000442 -0.000172 0.000119 0.000082 6C 2dx2y2 -0.000323 -0.000353 -0.000124 -0.000254 -0.000026 0.000045 6C 2dxy -0.000160 -0.000392 -0.000097 -0.000004 0.000151 -0.000069 6C 1f0 0.000014 0.000039 0.000042 0.000042 -0.000007 0.000017 6C 1f+1 -0.000014 0.000055 0.000049 -0.000029 -0.000028 -0.000008 6C 1f-1 -0.000013 0.000008 0.000007 -0.000003 0.000006 -0.000018 6C 1f+2 0.000025 -0.000021 0.000003 -0.000040 -0.000026 -0.000040 6C 1f-2 -0.000035 -0.000020 -0.000055 -0.000019 -0.000001 0.000022 6C 1f+3 0.000020 0.000038 0.000034 -0.000025 -0.000059 -0.000047 6C 1f-3 -0.000056 -0.000045 -0.000075 -0.000025 0.000016 -0.000035 7C 1s -0.000227 0.000142 -0.000059 -0.000020 0.000046 0.000006 7C 2s -0.000417 0.000261 -0.000118 -0.000041 0.000090 0.000012 7C 3s 0.000036 -0.000030 -0.000232 -0.000066 0.000126 -0.000043 7C 4s 0.002057 -0.001205 0.002196 0.000747 -0.001350 0.000170 7C 5s -0.005369 0.003376 -0.000544 -0.000149 0.001152 0.000313 7C 1pz -0.000421 0.000252 -0.000177 0.000050 -0.000021 -0.000040 7C 1px -0.000062 0.000043 0.000191 -0.000267 0.000322 0.000144 7C 1py -0.000268 0.000193 -0.000039 -0.000070 0.000112 0.000029 7C 2pz 0.000751 -0.000245 0.000147 -0.000314 0.000372 0.000089 7C 2px -0.000244 -0.000157 -0.000533 0.000563 -0.000806 -0.000153 7C 2py 0.000148 -0.000485 -0.000110 0.000011 -0.000095 -0.000002 7C 3pz 0.002227 -0.001361 0.003012 -0.000462 -0.000959 0.000392 7C 3px 0.000367 -0.001027 -0.000199 0.001370 -0.002027 -0.001321 7C 3py 0.001615 -0.001027 0.001682 0.000198 -0.001334 -0.000266 7C 1dz2 -0.000004 -0.000016 -0.000009 -0.000024 0.000042 0.000013 7C 1dxz -0.000001 0.000004 -0.000080 0.000022 -0.000017 -0.000030 7C 1dyz 0.000033 -0.000013 0.000002 -0.000001 -0.000007 0.000001 7C 1dx2y2 0.000006 -0.000010 0.000061 0.000014 -0.000051 -0.000001 7C 1dxy 0.000020 -0.000007 0.000007 0.000044 -0.000050 -0.000022 7C 2dz2 0.000309 -0.000261 0.000099 0.000020 -0.000122 -0.000026 7C 2dxz 0.000286 -0.000129 0.000126 -0.000075 0.000071 0.000085 7C 2dyz 0.000581 -0.000383 0.000315 0.000041 -0.000164 0.000014 7C 2dx2y2 -0.000158 0.000112 0.000042 0.000039 -0.000005 0.000008 7C 2dxy 0.000213 -0.000059 0.000159 0.000057 0.000041 0.000083 7C 1f0 0.000019 -0.000016 0.000015 0.000035 -0.000026 0.000040 7C 1f+1 0.000039 -0.000052 0.000066 -0.000009 -0.000022 -0.000028 7C 1f-1 -0.000004 0.000012 -0.000010 -0.000018 0.000016 0.000016 7C 1f+2 -0.000014 0.000031 -0.000016 -0.000038 0.000048 -0.000030 7C 1f-2 0.000004 0.000023 0.000003 -0.000001 0.000015 -0.000041 7C 1f+3 -0.000018 -0.000025 0.000022 -0.000019 0.000051 -0.000037 7C 1f-3 0.000079 -0.000000 0.000067 0.000008 -0.000004 -0.000002 8C 1s -0.000004 -0.000006 -0.000001 -0.000000 0.000000 -0.000000 8C 2s -0.000014 -0.000023 -0.000001 -0.000000 0.000000 -0.000000 8C 3s 0.000302 0.000448 0.000175 0.000058 -0.000090 -0.000011 8C 4s -0.001631 -0.002465 -0.001072 -0.000409 0.000510 0.000067 8C 5s 0.000737 0.001648 -0.002281 -0.000815 0.000740 -0.000336 8C 1pz -0.000011 -0.000024 -0.000009 -0.000006 0.000003 0.000003 8C 1px -0.000016 -0.000023 -0.000005 -0.000003 0.000011 -0.000009 8C 1py 0.000038 0.000055 0.000024 0.000009 -0.000004 -0.000005 8C 2pz 0.000257 0.000512 0.000250 0.000155 -0.000082 0.000006 8C 2px 0.000268 0.000397 0.000183 0.000091 -0.000152 -0.000095 8C 2py -0.000634 -0.000985 -0.000538 -0.000253 0.000136 0.000058 8C 3pz 0.000267 -0.000236 0.000610 0.000409 -0.000044 -0.000073 8C 3px -0.000071 -0.000010 0.000271 -0.000769 -0.000623 0.000344 8C 3py 0.000190 0.000155 -0.000872 -0.000397 0.000377 -0.000052 8C 1dz2 0.000012 -0.000007 0.000002 0.000008 0.000008 -0.000002 8C 1dxz -0.000004 -0.000011 -0.000003 -0.000003 -0.000005 0.000002 8C 1dyz 0.000009 0.000022 0.000002 -0.000004 -0.000004 0.000001 8C 1dx2y2 0.000012 0.000013 -0.000003 -0.000014 -0.000012 0.000003 8C 1dxy 0.000005 0.000012 0.000006 0.000029 0.000019 -0.000008 8C 2dz2 0.000015 0.000112 0.000041 -0.000037 -0.000055 0.000019 8C 2dxz -0.000026 -0.000086 -0.000063 0.000017 0.000035 -0.000100 8C 2dyz 0.000178 0.000272 0.000199 0.000138 -0.000032 -0.000103 8C 2dx2y2 0.000101 0.000163 0.000124 0.000154 0.000026 -0.000036 8C 2dxy 0.000102 0.000158 0.000078 -0.000098 -0.000149 0.000053 8C 1f0 -0.000006 -0.000016 -0.000004 0.000001 -0.000001 0.000001 8C 1f+1 0.000004 0.000009 0.000008 0.000004 0.000000 -0.000008 8C 1f-1 0.000008 -0.000004 -0.000000 -0.000006 -0.000004 0.000006 8C 1f+2 -0.000026 -0.000028 -0.000020 -0.000009 0.000011 0.000007 8C 1f-2 -0.000023 -0.000032 -0.000021 -0.000003 0.000012 -0.000002 8C 1f+3 0.000019 0.000032 0.000015 0.000004 -0.000011 0.000009 8C 1f-3 -0.000019 -0.000015 -0.000009 -0.000014 -0.000002 0.000020 9C 1s -0.000006 0.000004 -0.000000 -0.000000 0.000001 0.000000 9C 2s -0.000023 0.000015 -0.000001 0.000000 0.000001 -0.000000 9C 3s 0.000416 -0.000291 0.000150 -0.000007 -0.000055 0.000038 9C 4s -0.002271 0.001574 -0.000916 0.000012 0.000365 -0.000199 9C 5s 0.001649 -0.001055 -0.002317 0.000037 0.001036 0.000137 9C 1pz -0.000048 0.000033 -0.000015 -0.000007 0.000007 0.000003 9C 1px -0.000015 0.000011 -0.000008 0.000004 0.000002 -0.000009 9C 1py -0.000032 0.000019 -0.000009 0.000006 0.000005 -0.000004 9C 2pz 0.000846 -0.000566 0.000390 0.000085 -0.000165 0.000063 9C 2px 0.000237 -0.000193 0.000118 -0.000042 -0.000043 -0.000077 9C 2py 0.000584 -0.000354 0.000251 -0.000048 -0.000116 0.000037 9C 3pz -0.000140 0.000179 0.000758 0.000131 -0.000706 -0.000090 9C 3px -0.000029 0.000283 0.000585 -0.000548 0.000695 0.000365 9C 3py -0.000255 -0.000126 0.000751 0.000019 -0.000146 0.000061 9C 1dz2 -0.000008 0.000017 -0.000010 0.000012 -0.000015 -0.000006 9C 1dxz -0.000005 0.000005 0.000014 -0.000014 0.000018 0.000006 9C 1dyz -0.000022 0.000007 0.000002 -0.000001 0.000002 -0.000000 9C 1dx2y2 0.000013 0.000001 0.000006 -0.000005 0.000010 0.000001 9C 1dxy 0.000002 0.000007 0.000010 -0.000015 0.000014 0.000004 9C 2dz2 -0.000182 0.000090 -0.000041 -0.000083 0.000134 0.000037 9C 2dxz -0.000020 0.000004 -0.000108 0.000115 -0.000108 -0.000126 9C 2dyz -0.000279 0.000211 -0.000171 -0.000017 0.000076 0.000029 9C 2dx2y2 0.000032 -0.000027 0.000024 0.000040 -0.000042 0.000069 9C 2dxy -0.000072 -0.000010 -0.000092 0.000059 -0.000084 -0.000062 9C 1f0 0.000007 -0.000016 0.000002 0.000006 -0.000009 -0.000014 9C 1f+1 0.000017 -0.000015 0.000010 -0.000005 -0.000004 0.000006 9C 1f-1 0.000032 -0.000023 0.000014 -0.000000 -0.000005 0.000005 9C 1f+2 -0.000031 0.000022 -0.000017 -0.000004 0.000008 0.000004 9C 1f-2 0.000013 -0.000008 0.000013 -0.000007 0.000006 0.000019 9C 1f+3 0.000001 0.000003 -0.000005 0.000001 0.000006 0.000003 9C 1f-3 0.000015 -0.000006 0.000003 0.000005 -0.000006 -0.000010 10H 1s -0.000021 0.000014 -0.000012 0.000007 -0.000005 -0.000002 10H 2s -0.000030 0.000091 0.000122 -0.000007 -0.000083 0.000211 10H 3s 0.000447 -0.000416 -0.000090 -0.000159 0.000434 -0.000231 10H 1pz -0.000017 0.000025 0.000013 -0.000007 -0.000001 0.000019 10H 1px 0.000029 -0.000031 -0.000010 -0.000006 0.000021 -0.000022 10H 1py -0.000011 0.000006 0.000006 -0.000003 0.000001 0.000009 11H 1s -0.000013 0.000004 -0.000010 -0.000005 0.000014 0.000001 11H 2s 0.000150 -0.000044 0.000062 -0.000058 -0.000030 -0.000121 11H 3s 0.000305 -0.000029 -0.000205 0.000187 0.000005 0.000186 11H 1pz -0.000011 0.000016 0.000009 -0.000009 0.000001 -0.000015 11H 1px 0.000002 0.000003 0.000005 -0.000008 0.000002 -0.000016 11H 1py -0.000005 0.000008 -0.000005 0.000009 -0.000006 0.000007 12H 1s -0.000014 0.000012 -0.000006 -0.000010 0.000011 0.000003 12H 2s 0.000094 -0.000098 0.000092 0.000052 0.000001 -0.000158 12H 3s 0.000241 -0.000247 -0.000367 -0.000039 -0.000149 0.000216 12H 1pz -0.000010 -0.000004 -0.000009 0.000005 -0.000007 0.000002 12H 1px 0.000002 -0.000001 0.000004 0.000001 0.000004 -0.000014 12H 1py -0.000014 0.000008 0.000018 0.000003 0.000006 -0.000023 13H 1s -0.000014 -0.000021 -0.000007 0.000007 0.000012 -0.000002 13H 2s -0.000081 0.000037 0.000121 0.000027 -0.000115 0.000206 13H 3s 0.000360 0.000364 -0.000202 -0.000303 0.000099 -0.000249 13H 1pz -0.000027 -0.000022 0.000015 0.000005 -0.000014 0.000023 13H 1px 0.000025 0.000014 -0.000013 -0.000013 0.000006 -0.000016 13H 1py 0.000017 0.000007 -0.000005 0.000005 0.000012 -0.000016 14H 1s -0.000008 -0.000014 -0.000015 -0.000008 -0.000001 0.000005 14H 2s 0.000021 0.000027 0.000140 -0.000035 -0.000034 -0.000172 14H 3s 0.000267 0.000332 -0.000226 0.000310 0.000204 0.000168 14H 1pz -0.000016 -0.000020 0.000013 -0.000007 -0.000008 -0.000011 14H 1px -0.000015 -0.000016 0.000015 -0.000011 -0.000008 -0.000023 14H 1py -0.000002 0.000010 -0.000000 -0.000008 -0.000006 0.000001 15H 1s 0.000002 -0.000012 -0.000016 -0.000007 0.000008 0.000001 15H 2s 0.000003 0.000135 0.000049 -0.000001 -0.000077 -0.000096 15H 3s -0.000017 0.000321 -0.000050 0.000104 0.000279 0.000098 15H 1pz -0.000006 -0.000005 0.000002 0.000008 0.000008 0.000010 15H 1px -0.000006 -0.000001 0.000001 0.000004 0.000001 -0.000004 15H 1py 0.000021 0.000011 -0.000006 0.000003 0.000013 0.000011 16H 1s -0.000002 0.000016 -0.000213 -0.000033 0.000098 -0.000175 16H 2s -0.000182 0.000055 0.001068 0.000288 -0.000650 0.000385 16H 3s 0.000997 -0.000460 0.000094 -0.000424 0.000340 -0.000077 16H 1pz -0.000004 -0.000002 0.000141 0.000045 -0.000091 0.000057 16H 1px -0.000105 0.000049 -0.000113 0.000022 0.000021 -0.000034 16H 1py -0.000034 0.000021 -0.000027 0.000011 -0.000016 0.000001 17H 1s -0.000012 0.000017 -0.000206 -0.000042 0.000096 -0.000170 17H 2s 0.000170 0.000103 0.001103 0.000108 -0.000603 0.000381 17H 3s -0.000743 -0.000707 -0.000154 0.000457 0.000213 -0.000084 17H 1pz -0.000049 -0.000046 -0.000060 0.000032 0.000044 -0.000023 17H 1px 0.000071 0.000065 -0.000177 -0.000067 0.000085 -0.000072 17H 1py 0.000028 0.000031 0.000004 -0.000026 -0.000021 0.000011 18H 1s 0.000008 -0.000009 -0.000205 -0.000042 0.000093 0.000174 18H 2s -0.000138 -0.000128 0.001096 0.000096 -0.000603 -0.000400 18H 3s 0.000721 0.000665 -0.000146 0.000542 0.000230 0.000085 18H 1pz -0.000045 -0.000045 0.000060 -0.000037 -0.000046 -0.000025 18H 1px 0.000075 0.000056 0.000176 0.000075 -0.000082 -0.000075 18H 1py 0.000025 0.000027 -0.000001 0.000029 0.000020 0.000010 19H 1s -0.000002 -0.000008 -0.000211 -0.000034 0.000096 0.000179 19H 2s 0.000200 -0.000085 0.001053 0.000302 -0.000655 -0.000406 19H 3s -0.000945 0.000472 0.000165 -0.000461 0.000388 0.000076 19H 1pz -0.000006 0.000000 -0.000141 -0.000046 0.000091 0.000061 19H 1px -0.000098 0.000047 0.000120 -0.000026 -0.000016 -0.000036 19H 1py -0.000033 0.000020 0.000027 -0.000014 0.000020 0.000002 20H 1s -0.000002 0.000013 -0.000015 -0.000007 0.000009 -0.000001 20H 2s -0.000004 -0.000132 0.000043 -0.000005 -0.000087 0.000097 20H 3s 0.000013 -0.000342 -0.000066 0.000094 0.000262 -0.000096 20H 1pz -0.000006 -0.000004 -0.000002 -0.000008 -0.000009 0.000010 20H 1px -0.000006 -0.000001 -0.000001 -0.000004 -0.000001 -0.000005 20H 1py 0.000021 0.000011 0.000007 -0.000001 -0.000013 0.000011 21H 1s 0.000008 0.000015 -0.000015 -0.000007 -0.000001 -0.000005 21H 2s -0.000016 -0.000033 0.000141 -0.000037 -0.000037 0.000169 21H 3s -0.000291 -0.000340 -0.000233 0.000277 0.000187 -0.000161 21H 1pz -0.000016 -0.000020 -0.000014 0.000005 0.000008 -0.000011 21H 1px -0.000016 -0.000015 -0.000015 0.000009 0.000007 -0.000023 21H 1py -0.000003 0.000009 0.000001 0.000008 0.000007 0.000001 22H 1s 0.000014 0.000020 -0.000007 0.000009 0.000013 0.000002 22H 2s 0.000081 -0.000036 0.000114 0.000029 -0.000116 -0.000210 22H 3s -0.000339 -0.000349 -0.000209 -0.000339 0.000079 0.000257 22H 1pz -0.000026 -0.000022 -0.000015 -0.000008 0.000012 0.000024 22H 1px 0.000024 0.000014 0.000013 0.000015 -0.000005 -0.000017 22H 1py 0.000017 0.000008 0.000004 -0.000003 -0.000011 -0.000017 23H 1s 0.000015 -0.000012 -0.000008 -0.000009 0.000010 -0.000003 23H 2s -0.000094 0.000094 0.000103 0.000048 0.000009 0.000156 23H 3s -0.000247 0.000281 -0.000343 -0.000045 -0.000130 -0.000212 23H 1pz -0.000010 -0.000004 0.000010 -0.000006 0.000007 0.000003 23H 1px 0.000002 -0.000001 -0.000004 -0.000000 -0.000004 -0.000014 23H 1py -0.000014 0.000009 -0.000017 -0.000003 -0.000006 -0.000023 24H 1s 0.000014 -0.000004 -0.000011 -0.000004 0.000014 -0.000001 24H 2s -0.000143 0.000049 0.000072 -0.000067 -0.000027 0.000123 24H 3s -0.000324 0.000037 -0.000191 0.000170 0.000012 -0.000184 24H 1pz -0.000012 0.000015 -0.000008 0.000009 0.000000 -0.000015 24H 1px 0.000001 0.000002 -0.000005 0.000009 -0.000002 -0.000017 24H 1py -0.000003 0.000008 0.000006 -0.000009 0.000006 0.000007 25H 1s 0.000020 -0.000014 -0.000014 0.000008 -0.000006 0.000002 25H 2s 0.000035 -0.000092 0.000113 -0.000008 -0.000087 -0.000215 25H 3s -0.000429 0.000402 -0.000050 -0.000179 0.000461 0.000242 25H 1pz -0.000018 0.000025 -0.000011 0.000007 0.000003 0.000020 25H 1px 0.000029 -0.000030 0.000007 0.000007 -0.000023 -0.000022 25H 1py -0.000011 0.000006 -0.000005 0.000003 -0.000001 0.000009 26O 1s 0.001096 -0.000686 0.000452 -0.000676 0.000816 -0.000058 26O 2s 0.002528 -0.001581 0.001042 -0.001559 0.001880 -0.000135 26O 3s -0.002934 0.001817 -0.001150 0.001787 -0.002155 0.000170 26O 4s -0.005549 0.003504 -0.002455 0.003343 -0.003999 -0.000016 26O 5s 0.000387 0.000586 -0.001037 0.000961 -0.001851 0.001767 26O 1pz -0.002348 0.001683 -0.000979 0.001380 -0.001928 0.000175 26O 1px -0.000199 0.000269 -0.000585 0.000111 -0.000161 -0.000296 26O 1py -0.001772 0.000765 -0.000771 0.001214 -0.001034 -0.000009 26O 2pz -0.002190 0.001797 -0.000947 0.001444 -0.002261 0.000474 26O 2px -0.000537 0.000535 -0.000305 -0.000027 -0.000113 -0.000525 26O 2py -0.002045 0.000592 -0.000590 0.001490 -0.001030 0.000097 26O 3pz -0.000207 -0.000505 -0.000225 0.000086 -0.000127 0.000160 26O 3px 0.000693 -0.001255 0.000527 -0.000376 0.000731 -0.000217 26O 3py 0.000773 0.000129 0.000151 -0.000231 0.000083 0.000010 26O 1dz2 -0.000134 0.000128 -0.000051 0.000081 -0.000112 0.000013 26O 1dxz -0.000045 0.000040 -0.000075 0.000034 -0.000038 -0.000013 26O 1dyz -0.000245 0.000131 -0.000103 0.000137 -0.000158 0.000003 26O 1dx2y2 0.000073 -0.000030 0.000044 -0.000046 0.000040 -0.000004 26O 1dxy -0.000037 0.000033 -0.000041 0.000031 -0.000025 -0.000014 26O 2dz2 -0.000202 0.000409 -0.000031 0.000019 -0.000612 0.000247 26O 2dxz -0.000165 0.000290 -0.000292 -0.000035 -0.000113 -0.000309 26O 2dyz -0.000724 0.000305 -0.000264 0.000648 -0.000515 0.000123 26O 2dx2y2 0.000304 0.000107 -0.000094 -0.000306 0.000035 -0.000025 26O 2dxy -0.000201 0.000145 -0.000344 0.000051 -0.000074 -0.000220 26O 1f0 0.000034 0.000072 0.000014 -0.000045 -0.000077 0.000040 26O 1f+1 -0.000044 0.000074 -0.000075 0.000002 -0.000045 -0.000033 26O 1f-1 -0.000135 0.000100 -0.000044 0.000083 -0.000133 0.000045 26O 1f+2 0.000102 0.000001 0.000009 -0.000101 0.000034 -0.000023 26O 1f-2 -0.000061 0.000058 -0.000083 0.000010 -0.000024 -0.000055 26O 1f+3 -0.000028 0.000023 -0.000036 0.000016 -0.000000 -0.000022 26O 1f-3 -0.000039 -0.000012 -0.000006 0.000043 -0.000009 0.000016 27O 1s 0.000671 0.001077 -0.000245 -0.000909 -0.000606 -0.000030 27O 2s 0.001544 0.002484 -0.000568 -0.002095 -0.001395 -0.000072 27O 3s -0.001744 -0.002868 0.000730 0.002372 0.001549 0.000125 27O 4s -0.003566 -0.005481 0.000863 0.004567 0.003184 -0.000216 27O 5s -0.000519 0.000063 0.000662 0.002607 0.001479 0.001603 27O 1pz -0.000703 -0.001677 0.000529 0.001129 0.000965 0.000103 27O 1px -0.000395 -0.000717 -0.000168 0.000645 0.000740 -0.000288 27O 1py 0.001639 0.002260 -0.000468 -0.002102 -0.001214 -0.000081 27O 2pz -0.000411 -0.001724 0.000715 0.001151 0.001203 0.000306 27O 2px -0.000494 -0.001085 -0.000027 0.000420 0.000523 -0.000465 27O 2py 0.001776 0.002116 -0.000543 -0.002364 -0.001145 -0.000307 27O 3pz -0.000653 0.000173 0.000215 0.000377 0.000029 0.000129 27O 3px 0.001061 0.000837 0.000345 -0.001016 -0.000713 -0.000109 27O 3py -0.000717 0.000379 -0.000373 -0.000059 -0.000080 -0.000162 27O 1dz2 0.000041 0.000007 -0.000001 -0.000023 -0.000013 0.000006 27O 1dxz -0.000036 -0.000068 -0.000005 0.000057 0.000064 -0.000005 27O 1dyz 0.000123 0.000227 -0.000055 -0.000166 -0.000111 -0.000007 27O 1dx2y2 0.000112 0.000134 -0.000025 -0.000118 -0.000075 -0.000008 27O 1dxy 0.000065 0.000111 0.000011 -0.000102 -0.000089 0.000014 27O 2dz2 0.000348 0.000022 0.000263 -0.000366 0.000036 0.000094 27O 2dxz -0.000017 -0.000345 0.000044 0.000106 0.000261 -0.000160 27O 2dyz 0.000209 0.000632 -0.000357 -0.000517 -0.000452 -0.000223 27O 2dx2y2 0.000292 0.000202 -0.000235 -0.000440 0.000117 -0.000243 27O 2dxy 0.000339 0.000411 0.000114 -0.000372 -0.000376 0.000277 27O 1f0 0.000064 0.000071 -0.000011 -0.000073 -0.000038 -0.000009 27O 1f+1 0.000014 -0.000042 0.000024 0.000006 0.000038 0.000011 27O 1f-1 -0.000058 0.000068 -0.000070 0.000023 -0.000062 -0.000029 27O 1f+2 0.000056 0.000091 -0.000061 -0.000096 -0.000027 -0.000055 27O 1f-2 0.000034 0.000111 -0.000006 -0.000055 -0.000093 0.000026 27O 1f+3 -0.000075 -0.000087 -0.000028 0.000088 0.000065 -0.000026 27O 1f-3 0.000052 0.000006 -0.000039 -0.000066 0.000026 -0.000059 28O 1s 0.000988 -0.000615 -0.000646 0.000682 -0.000772 0.000023 28O 2s 0.002275 -0.001421 -0.001493 0.001571 -0.001780 0.000056 28O 3s -0.002584 0.001663 0.001787 -0.001762 0.002002 -0.000116 28O 4s -0.005209 0.003098 0.002838 -0.003469 0.003999 0.000301 28O 5s -0.000121 -0.000238 0.001830 -0.001844 0.001658 -0.001730 28O 1pz -0.002002 0.001448 0.001275 -0.001393 0.001895 0.000088 28O 1px -0.000542 0.000457 0.000664 -0.000170 0.000226 -0.000301 28O 1py -0.001660 0.000732 0.000969 -0.001260 0.001028 -0.000061 28O 2pz -0.001988 0.001586 0.001450 -0.001283 0.001886 0.000006 28O 2px -0.000217 0.000336 0.000738 -0.000258 0.000510 -0.000576 28O 2py -0.001762 0.000458 0.001076 -0.001547 0.000931 -0.000236 28O 3pz 0.000426 -0.000374 0.000458 0.000302 -0.000437 -0.000256 28O 3px -0.001205 0.000197 0.000434 -0.000913 0.000790 -0.000173 28O 3py 0.000412 0.000702 0.000342 0.000025 0.000180 -0.000241 28O 1dz2 -0.000113 0.000102 0.000058 -0.000090 0.000128 0.000012 28O 1dxz -0.000065 0.000056 0.000051 -0.000036 0.000036 -0.000014 28O 1dyz -0.000216 0.000122 0.000117 -0.000144 0.000162 0.000005 28O 1dx2y2 0.000076 -0.000018 -0.000024 0.000053 -0.000061 -0.000003 28O 1dxy -0.000060 0.000032 0.000052 -0.000018 0.000020 -0.000010 28O 2dz2 -0.000254 0.000460 0.000253 -0.000036 0.000584 0.000147 28O 2dxz 0.000051 0.000109 0.000394 0.000163 -0.000028 -0.000350 28O 2dyz -0.000681 0.000251 0.000472 -0.000657 0.000456 -0.000084 28O 2dx2y2 0.000209 0.000034 -0.000121 0.000290 0.000093 0.000011 28O 2dxy -0.000027 0.000078 0.000252 -0.000061 0.000014 -0.000283 28O 1f0 -0.000006 0.000083 0.000005 0.000036 0.000097 0.000034 28O 1f+1 -0.000015 0.000051 0.000069 0.000002 0.000041 -0.000044 28O 1f-1 -0.000127 0.000097 0.000077 -0.000083 0.000124 0.000003 28O 1f+2 0.000117 -0.000010 -0.000034 0.000119 -0.000046 0.000000 28O 1f-2 -0.000027 0.000029 0.000086 -0.000003 0.000015 -0.000068 28O 1f+3 -0.000001 -0.000002 0.000031 -0.000001 -0.000017 -0.000030 28O 1f-3 -0.000031 -0.000017 -0.000001 -0.000037 0.000002 0.000007 29O 1s 0.000015 -0.000029 0.000385 0.000065 -0.000190 0.000449 29O 2s 0.000034 -0.000068 0.000874 0.000149 -0.000429 0.001004 29O 3s -0.000033 0.000098 -0.000810 -0.000151 0.000359 -0.000754 29O 4s -0.000076 0.000061 -0.001775 -0.000255 0.000990 -0.003242 29O 5s -0.000002 0.000079 -0.002327 -0.000504 0.001099 0.000760 29O 1pz 0.000086 0.000011 -0.000250 -0.000133 0.000168 -0.000323 29O 1px 0.000056 -0.000012 0.000837 0.000106 -0.000439 0.000972 29O 1py 0.000010 -0.000082 0.000211 0.000056 -0.000024 0.000219 29O 2pz 0.000168 0.000058 -0.000367 -0.000202 0.000236 -0.000513 29O 2px 0.000139 -0.000161 0.001283 0.000161 -0.000604 0.001553 29O 2py 0.000029 -0.000341 0.000610 0.000164 -0.000070 0.000481 29O 3pz -0.000169 -0.000103 -0.000116 -0.000016 0.000084 0.000211 29O 3px -0.000136 0.000338 0.000690 0.000131 -0.000516 -0.000443 29O 3py -0.000010 0.000498 0.000816 0.000104 -0.000638 0.000179 29O 1dz2 -0.000006 -0.000004 0.000012 0.000006 -0.000007 0.000029 29O 1dxz 0.000012 -0.000005 0.000018 -0.000003 -0.000004 0.000045 29O 1dyz 0.000007 0.000003 -0.000000 -0.000006 -0.000000 0.000005 29O 1dx2y2 0.000004 0.000010 -0.000009 -0.000006 -0.000001 -0.000060 29O 1dxy 0.000003 -0.000007 -0.000001 -0.000001 0.000007 -0.000017 29O 2dz2 0.000132 0.000004 0.000180 -0.000077 -0.000045 0.000136 29O 2dxz -0.000185 0.000010 0.000241 0.000198 -0.000213 0.000237 29O 2dyz -0.000062 -0.000072 0.000084 0.000077 -0.000001 0.000064 29O 2dx2y2 -0.000092 -0.000076 -0.000552 -0.000008 0.000348 -0.000421 29O 2dxy -0.000042 0.000198 -0.000233 -0.000065 -0.000069 -0.000152 29O 1f0 -0.000015 0.000001 0.000054 0.000022 -0.000037 0.000053 29O 1f+1 -0.000029 -0.000002 -0.000036 0.000021 0.000010 -0.000028 29O 1f-1 -0.000012 -0.000001 0.000036 0.000016 -0.000026 0.000028 29O 1f+2 0.000017 -0.000013 -0.000055 -0.000025 0.000050 -0.000061 29O 1f-2 0.000020 0.000022 0.000008 -0.000019 -0.000018 0.000003 29O 1f+3 -0.000011 -0.000022 -0.000080 0.000001 0.000060 -0.000074 29O 1f-3 -0.000015 0.000043 -0.000049 -0.000009 -0.000017 -0.000031 30O 1s 0.000629 0.001003 0.000149 0.000985 0.000741 0.000051 30O 2s 0.001448 0.002313 0.000344 0.002270 0.001708 0.000119 30O 3s -0.001666 -0.002678 -0.000337 -0.002571 -0.001975 -0.000164 30O 4s -0.003277 -0.005120 -0.000989 -0.005013 -0.003589 0.000074 30O 5s 0.000648 -0.000225 -0.000921 -0.001592 -0.001466 -0.001749 30O 1pz -0.000581 -0.001435 -0.000498 -0.001208 -0.001104 0.000056 30O 1px -0.000601 -0.001056 0.000189 -0.000782 -0.000878 -0.000339 30O 1py 0.001489 0.002031 0.000374 0.002282 0.001417 0.000002 30O 2pz -0.000461 -0.001685 -0.000419 -0.001069 -0.001363 0.000029 30O 2px -0.000315 -0.000734 -0.000004 -0.000999 -0.001036 -0.000678 30O 2py 0.001734 0.001997 0.000050 0.002454 0.001463 0.000124 30O 3pz -0.000408 0.001081 0.000243 0.000164 0.000347 -0.000090 30O 3px -0.000418 -0.001025 -0.000553 -0.000802 -0.000622 -0.000243 30O 3py -0.000590 -0.000416 -0.000173 -0.000220 -0.000030 0.000212 30O 1dz2 0.000045 0.000020 -0.000022 0.000024 0.000016 0.000007 30O 1dxz -0.000025 -0.000085 -0.000009 -0.000061 -0.000049 -0.000009 30O 1dyz 0.000107 0.000200 0.000051 0.000189 0.000133 -0.000008 30O 1dx2y2 0.000089 0.000109 0.000059 0.000140 0.000073 -0.000009 30O 1dxy 0.000088 0.000128 -0.000002 0.000102 0.000091 0.000017 30O 2dz2 0.000273 -0.000051 -0.000181 0.000345 -0.000085 0.000143 30O 2dxz -0.000038 -0.000159 0.000110 -0.000023 -0.000351 -0.000201 30O 2dyz 0.000235 0.000638 0.000327 0.000567 0.000565 -0.000052 30O 2dx2y2 0.000398 0.000266 -0.000042 0.000513 0.000067 -0.000152 30O 2dxy 0.000153 0.000207 -0.000283 0.000289 0.000361 0.000374 30O 1f0 0.000050 0.000052 -0.000010 0.000065 0.000039 0.000014 30O 1f+1 0.000029 -0.000026 -0.000026 0.000011 -0.000026 0.000009 30O 1f-1 -0.000042 0.000075 0.000078 -0.000020 0.000074 -0.000026 30O 1f+2 0.000072 0.000113 0.000058 0.000119 0.000054 -0.000030 30O 1f-2 0.000019 0.000089 0.000001 0.000059 0.000103 0.000054 30O 1f+3 -0.000056 -0.000050 0.000040 -0.000077 -0.000061 -0.000053 30O 1f-3 0.000060 0.000034 0.000040 0.000079 -0.000015 -0.000045 31O 1s -0.000681 -0.001088 0.000113 0.000898 0.000688 -0.000049 31O 2s -0.001569 -0.002510 0.000260 0.002070 0.001587 -0.000115 31O 3s 0.001804 0.002900 -0.000241 -0.002340 -0.001833 0.000156 31O 4s 0.003535 0.005557 -0.000800 -0.004565 -0.003323 -0.000072 31O 5s -0.000600 0.000386 -0.000825 -0.001596 -0.001454 0.001762 31O 1pz -0.000631 -0.001568 0.000435 0.001107 0.001022 0.000055 31O 1px -0.000649 -0.001122 -0.000234 0.000695 0.000825 -0.000330 31O 1py 0.001613 0.002215 -0.000310 -0.002091 -0.001313 0.000001 31O 2pz -0.000501 -0.001824 0.000338 0.000968 0.001266 0.000032 31O 2px -0.000369 -0.000827 -0.000042 0.000941 0.001000 -0.000672 31O 2py 0.001884 0.002175 0.000002 -0.002248 -0.001367 0.000118 31O 3pz -0.000414 0.001109 -0.000149 -0.000142 -0.000282 -0.000081 31O 3px -0.000436 -0.001104 0.000486 0.000719 0.000569 -0.000257 31O 3py -0.000594 -0.000428 0.000155 0.000150 0.000018 0.000199 31O 1dz2 -0.000047 -0.000021 -0.000022 0.000020 0.000015 -0.000006 31O 1dxz 0.000028 0.000090 -0.000004 -0.000055 -0.000044 0.000009 31O 1dyz -0.000116 -0.000217 0.000044 0.000173 0.000122 0.000008 31O 1dx2y2 -0.000096 -0.000121 0.000056 0.000129 0.000068 0.000009 31O 1dxy -0.000093 -0.000137 -0.000007 0.000091 0.000084 -0.000016 31O 2dz2 -0.000305 0.000053 -0.000169 0.000326 -0.000076 -0.000142 31O 2dxz 0.000040 0.000175 0.000119 -0.000014 -0.000343 0.000195 31O 2dyz -0.000254 -0.000709 0.000297 0.000523 0.000529 0.000049 31O 2dx2y2 -0.000435 -0.000287 -0.000040 0.000474 0.000056 0.000152 31O 2dxy -0.000180 -0.000224 -0.000293 0.000269 0.000353 -0.000366 31O 1f0 0.000054 0.000056 0.000011 -0.000059 -0.000037 0.000013 31O 1f+1 0.000031 -0.000029 0.000023 -0.000010 0.000024 0.000009 31O 1f-1 -0.000048 0.000083 -0.000072 0.000020 -0.000068 -0.000025 31O 1f+2 0.000077 0.000124 -0.000054 -0.000109 -0.000047 -0.000029 31O 1f-2 0.000022 0.000097 0.000004 -0.000054 -0.000098 0.000053 31O 1f+3 -0.000062 -0.000054 -0.000041 0.000070 0.000059 -0.000052 31O 1f-3 0.000065 0.000038 -0.000041 -0.000073 0.000017 -0.000043 32O 1s -0.000008 0.000015 0.000380 0.000064 -0.000185 -0.000458 32O 2s -0.000017 0.000037 0.000862 0.000147 -0.000417 -0.001025 32O 3s 0.000016 -0.000067 -0.000802 -0.000151 0.000347 0.000770 32O 4s 0.000045 -0.000006 -0.001738 -0.000243 0.000966 0.003300 32O 5s -0.000056 -0.000001 -0.002324 -0.000519 0.001093 -0.000742 32O 1pz 0.000083 0.000002 0.000243 0.000138 -0.000167 -0.000331 32O 1px 0.000038 0.000014 -0.000824 -0.000100 0.000430 0.000992 32O 1py 0.000007 -0.000068 -0.000213 -0.000058 0.000018 0.000225 32O 2pz 0.000164 0.000043 0.000362 0.000216 -0.000233 -0.000527 32O 2px 0.000110 -0.000114 -0.001268 -0.000153 0.000581 0.001582 32O 2py 0.000014 -0.000304 -0.000623 -0.000176 0.000047 0.000495 32O 3pz -0.000169 -0.000115 0.000127 -0.000003 -0.000100 0.000209 32O 3px -0.000137 0.000349 -0.000660 -0.000120 0.000532 -0.000443 32O 3py -0.000023 0.000509 -0.000786 -0.000086 0.000667 0.000194 32O 1dz2 0.000006 0.000004 0.000012 0.000007 -0.000006 -0.000029 32O 1dxz -0.000011 0.000004 0.000018 -0.000004 -0.000003 -0.000046 32O 1dyz -0.000007 -0.000003 0.000000 -0.000006 -0.000000 -0.000005 32O 1dx2y2 -0.000004 -0.000009 -0.000009 -0.000007 -0.000002 0.000061 32O 1dxy -0.000003 0.000007 0.000000 -0.000001 0.000007 0.000017 32O 2dz2 -0.000123 -0.000010 0.000181 -0.000088 -0.000041 -0.000138 32O 2dxz 0.000175 -0.000020 0.000228 0.000208 -0.000214 -0.000243 32O 2dyz 0.000060 0.000062 0.000078 0.000083 0.000005 -0.000062 32O 2dx2y2 0.000076 0.000088 -0.000542 0.000002 0.000348 0.000431 32O 2dxy 0.000039 -0.000177 -0.000246 -0.000068 -0.000081 0.000157 32O 1f0 -0.000015 0.000003 -0.000050 -0.000022 0.000036 0.000052 32O 1f+1 -0.000027 -0.000003 0.000039 -0.000023 -0.000011 -0.000030 32O 1f-1 -0.000012 -0.000000 -0.000036 -0.000017 0.000027 0.000030 32O 1f+2 0.000017 -0.000013 0.000054 0.000026 -0.000051 -0.000063 32O 1f-2 0.000019 0.000020 -0.000008 0.000022 0.000019 0.000003 32O 1f+3 -0.000008 -0.000023 0.000077 -0.000003 -0.000061 -0.000075 32O 1f-3 -0.000014 0.000039 0.000051 0.000010 0.000019 -0.000032 33O 1s -0.001067 0.000670 -0.000571 0.000632 -0.000719 -0.000022 33O 2s -0.002458 0.001547 -0.001319 0.001455 -0.001657 -0.000053 33O 3s 0.002793 -0.001810 0.001585 -0.001631 0.001858 0.000110 33O 4s 0.005596 -0.003356 0.002446 -0.003202 0.003731 -0.000298 33O 5s 0.000347 0.000134 0.001852 -0.001804 0.001644 0.001713 33O 1pz -0.002167 0.001574 -0.001108 0.001299 -0.001775 0.000087 33O 1px -0.000580 0.000500 -0.000620 0.000146 -0.000187 -0.000292 33O 1py -0.001793 0.000798 -0.000861 0.001163 -0.000957 -0.000059 33O 2pz -0.002151 0.001730 -0.001276 0.001196 -0.001761 0.000008 33O 2px -0.000270 0.000395 -0.000715 0.000252 -0.000479 -0.000568 33O 2py -0.001919 0.000516 -0.000982 0.001432 -0.000874 -0.000231 33O 3pz 0.000427 -0.000360 -0.000492 -0.000274 0.000405 -0.000242 33O 3px -0.001291 0.000226 -0.000383 0.000823 -0.000753 -0.000178 33O 3py 0.000398 0.000727 -0.000315 0.000031 -0.000143 -0.000234 33O 1dz2 0.000122 -0.000109 0.000047 -0.000085 0.000120 -0.000011 33O 1dxz 0.000070 -0.000059 0.000045 -0.000033 0.000031 0.000013 33O 1dyz 0.000232 -0.000132 0.000101 -0.000133 0.000151 -0.000005 33O 1dx2y2 -0.000081 0.000021 -0.000020 0.000048 -0.000059 0.000003 33O 1dxy 0.000064 -0.000036 0.000048 -0.000014 0.000017 0.000010 33O 2dz2 0.000273 -0.000506 0.000213 -0.000035 0.000552 -0.000145 33O 2dxz -0.000048 -0.000137 0.000394 0.000155 -0.000036 0.000343 33O 2dyz 0.000750 -0.000279 0.000430 -0.000615 0.000431 0.000082 33O 2dx2y2 -0.000232 -0.000043 -0.000115 0.000272 0.000094 -0.000009 33O 2dxy 0.000040 -0.000091 0.000250 -0.000061 0.000006 0.000279 33O 1f0 -0.000004 0.000090 0.000001 -0.000033 -0.000092 0.000033 33O 1f+1 -0.000018 0.000057 -0.000066 -0.000001 -0.000037 -0.000044 33O 1f-1 -0.000137 0.000105 -0.000066 0.000078 -0.000116 0.000002 33O 1f+2 0.000127 -0.000011 0.000029 -0.000111 0.000044 0.000000 33O 1f-2 -0.000030 0.000034 -0.000084 0.000002 -0.000012 -0.000066 33O 1f+3 -0.000002 -0.000001 -0.000032 0.000001 0.000018 -0.000029 33O 1f-3 -0.000034 -0.000018 0.000001 0.000034 -0.000002 0.000007 34O 1s -0.000621 -0.000989 -0.000280 -0.000995 -0.000659 0.000032 34O 2s -0.001430 -0.002280 -0.000649 -0.002292 -0.001517 0.000076 34O 3s 0.001619 0.002635 0.000824 0.002598 0.001692 -0.000131 34O 4s 0.003303 0.005053 0.001046 0.005011 0.003447 0.000217 34O 5s 0.000375 -0.000305 0.000624 0.002626 0.001475 -0.001606 34O 1pz -0.000654 -0.001540 -0.000595 -0.001238 -0.001053 0.000107 34O 1px -0.000352 -0.000656 0.000137 -0.000699 -0.000773 -0.000296 34O 1py 0.001518 0.002074 0.000533 0.002297 0.001322 -0.000084 34O 2pz -0.000370 -0.001562 -0.000791 -0.001239 -0.001298 0.000310 34O 2px -0.000467 -0.001036 -0.000022 -0.000495 -0.000577 -0.000469 34O 2py 0.001638 0.001921 0.000591 0.002561 0.001245 -0.000313 34O 3pz -0.000637 0.000203 -0.000179 -0.000420 -0.000009 0.000131 34O 3px 0.000973 0.000769 -0.000331 0.001111 0.000749 -0.000100 34O 3py -0.000701 0.000344 0.000418 0.000026 0.000112 -0.000163 34O 1dz2 -0.000040 -0.000005 -0.000000 -0.000026 -0.000012 -0.000006 34O 1dxz 0.000032 0.000062 -0.000003 0.000062 0.000067 0.000005 34O 1dyz -0.000114 -0.000210 -0.000063 -0.000182 -0.000122 0.000007 34O 1dx2y2 -0.000106 -0.000123 -0.000029 -0.000131 -0.000082 0.000008 34O 1dxy -0.000058 -0.000103 0.000007 -0.000111 -0.000095 -0.000015 34O 2dz2 -0.000310 -0.000025 0.000272 -0.000390 0.000040 -0.000097 34O 2dxz 0.000014 0.000321 0.000065 0.000120 0.000279 0.000162 34O 2dyz -0.000191 -0.000562 -0.000381 -0.000553 -0.000487 0.000227 34O 2dx2y2 -0.000267 -0.000178 -0.000231 -0.000467 0.000107 0.000249 34O 2dxy -0.000313 -0.000379 0.000099 -0.000410 -0.000392 -0.000282 34O 1f0 0.000059 0.000065 0.000013 0.000080 0.000041 -0.000009 34O 1f+1 0.000013 -0.000038 -0.000026 -0.000007 -0.000041 0.000011 34O 1f-1 -0.000052 0.000061 0.000076 -0.000024 0.000067 -0.000030 34O 1f+2 0.000051 0.000082 0.000063 0.000103 0.000032 -0.000056 34O 1f-2 0.000032 0.000102 0.000012 0.000061 0.000098 0.000027 34O 1f+3 -0.000068 -0.000082 0.000025 -0.000096 -0.000069 -0.000027 34O 1f-3 0.000049 0.000003 0.000037 0.000069 -0.000026 -0.000060 35O 1s -0.001016 0.000634 0.000531 -0.000727 0.000870 0.000060 35O 2s -0.002344 0.001463 0.001226 -0.001677 0.002006 0.000138 35O 3s 0.002725 -0.001685 -0.001365 0.001925 -0.002300 -0.000174 35O 4s 0.005146 -0.003239 -0.002850 0.003602 -0.004276 0.000013 35O 5s -0.000515 -0.000418 -0.001038 0.000915 -0.001877 -0.001790 35O 1pz -0.002178 0.001558 0.001163 -0.001481 0.002056 0.000180 35O 1px -0.000166 0.000228 0.000601 -0.000114 0.000181 -0.000305 35O 1py -0.001638 0.000703 0.000879 -0.001310 0.001104 -0.000009 35O 2pz -0.002012 0.001657 0.001135 -0.001526 0.002390 0.000483 35O 2px -0.000521 0.000510 0.000351 0.000010 0.000154 -0.000533 35O 2py -0.001898 0.000553 0.000702 -0.001609 0.001092 0.000099 35O 3pz -0.000192 -0.000523 0.000204 -0.000124 0.000100 0.000158 35O 3px 0.000629 -0.001176 -0.000612 0.000378 -0.000812 -0.000221 35O 3py 0.000748 0.000137 -0.000168 0.000289 -0.000084 0.000008 35O 1dz2 0.000124 -0.000121 -0.000063 0.000085 -0.000121 -0.000013 35O 1dxz 0.000039 -0.000035 -0.000078 0.000035 -0.000041 0.000014 35O 1dyz 0.000228 -0.000120 -0.000119 0.000150 -0.000169 -0.000003 35O 1dx2y2 -0.000068 0.000027 0.000049 -0.000050 0.000043 0.000004 35O 1dxy 0.000033 -0.000030 -0.000044 0.000032 -0.000028 0.000014 35O 2dz2 0.000190 -0.000371 -0.000066 0.000016 -0.000636 -0.000251 35O 2dxz 0.000154 -0.000264 -0.000308 -0.000034 -0.000134 0.000314 35O 2dyz 0.000658 -0.000282 -0.000308 0.000687 -0.000543 -0.000125 35O 2dx2y2 -0.000284 -0.000090 -0.000086 -0.000331 0.000033 0.000027 35O 2dxy 0.000182 -0.000121 -0.000354 0.000061 -0.000087 0.000224 35O 1f0 0.000031 0.000066 -0.000011 0.000050 0.000080 0.000040 35O 1f+1 -0.000040 0.000067 0.000080 -0.000003 0.000050 -0.000034 35O 1f-1 -0.000125 0.000093 0.000055 -0.000089 0.000140 0.000046 35O 1f+2 0.000094 -0.000001 -0.000013 0.000108 -0.000035 -0.000023 35O 1f-2 -0.000057 0.000052 0.000088 -0.000012 0.000028 -0.000057 35O 1f+3 -0.000026 0.000021 0.000038 -0.000017 0.000002 -0.000023 35O 1f-3 -0.000036 -0.000011 0.000007 -0.000046 0.000009 0.000016 54 55 56 57 58 59 -1.05653 -1.05137 -1.05121 -1.05113 -1.01002 -1.00992 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s -0.001697 -0.000005 -0.000038 0.000011 -0.000660 -0.000067 0Rh 2s 0.006580 0.000022 0.000151 -0.000045 0.002421 0.000367 0Rh 3s -0.005675 -0.000014 -0.000127 0.000032 -0.002295 -0.000156 0Rh 4s -0.026842 -0.000093 -0.000619 0.000186 -0.009819 -0.001567 0Rh 5s 0.020168 0.000097 0.000482 -0.000171 0.006371 0.001987 0Rh 6s 0.034608 0.000031 0.000744 -0.000137 0.016059 -0.000715 0Rh 7s -0.026235 -0.000205 -0.000365 0.000061 -0.023016 0.005407 0Rh 8s -0.004243 0.001087 -0.000270 -0.000368 -0.006887 0.005052 0Rh 1pz 0.000422 -0.006318 -0.001480 -0.003732 -0.001302 -0.000193 0Rh 1px -0.001745 -0.001203 -0.000466 -0.002383 0.003808 0.000492 0Rh 1py -0.000412 -0.004254 -0.000268 0.006430 0.000422 -0.000029 0Rh 2pz -0.001416 0.021068 0.004933 0.012445 0.004334 0.000636 0Rh 2px 0.005847 0.004013 0.001553 0.007944 -0.012680 -0.001613 0Rh 2py 0.001379 0.014186 0.000894 -0.021443 -0.001403 0.000100 0Rh 3pz 0.001200 -0.015627 -0.003631 -0.009233 -0.003072 -0.000318 0Rh 3px -0.004837 -0.002980 -0.001163 -0.005884 0.009025 0.000719 0Rh 3py -0.001128 -0.010534 -0.000663 0.015909 0.000977 -0.000145 0Rh 4pz 0.001128 -0.024864 -0.005910 -0.014680 -0.005590 -0.001239 0Rh 4px -0.005076 -0.004729 -0.001791 -0.009404 0.016231 0.003405 0Rh 4py -0.001253 -0.016701 -0.001053 0.025295 0.001897 0.000091 0Rh 5pz 0.001046 -0.000929 -0.000100 -0.000563 0.000228 0.000359 0Rh 5px -0.003504 -0.000170 -0.000152 -0.000303 -0.000584 -0.001128 0Rh 5py -0.000672 -0.000688 -0.000057 0.000964 -0.000457 -0.000136 0Rh 6pz -0.003896 -0.002680 -0.000953 -0.001191 -0.002140 0.005197 0Rh 6px 0.010206 -0.000362 0.000212 -0.001528 0.009997 -0.015986 0Rh 6py 0.001255 -0.001318 -0.000156 0.002356 0.008079 -0.002002 0Rh 1dz2 0.001444 -0.000137 -0.002780 -0.000196 -0.001109 -0.000342 0Rh 1dxz 0.001855 0.001157 0.000559 0.000578 -0.001733 -0.000487 0Rh 1dyz 0.000497 0.001350 -0.006425 0.001124 -0.000185 -0.000077 0Rh 1dx2y2 -0.002759 0.000298 -0.000964 0.000822 0.002503 0.000719 0Rh 1dxy -0.001008 0.001453 -0.002479 -0.000998 0.000532 0.000216 0Rh 2dz2 -0.000030 -0.000008 0.000033 -0.000004 -0.000056 0.000015 0Rh 2dxz -0.000035 0.000002 0.000002 -0.000001 -0.000080 0.000017 0Rh 2dyz -0.000007 -0.000023 0.000092 -0.000005 -0.000005 0.000005 0Rh 2dx2y2 0.000049 -0.000006 0.000019 0.000004 0.000118 -0.000025 0Rh 2dxy 0.000015 -0.000005 0.000038 -0.000009 0.000022 -0.000018 0Rh 3dz2 -0.001748 0.000207 0.003482 0.000269 0.001680 0.000390 0Rh 3dxz -0.002264 -0.001514 -0.000734 -0.000750 0.002604 0.000575 0Rh 3dyz -0.000615 -0.001663 0.007987 -0.001439 0.000262 0.000080 0Rh 3dx2y2 0.003365 -0.000362 0.001180 -0.001081 -0.003760 -0.000842 0Rh 3dxy 0.001245 -0.001868 0.003074 0.001333 -0.000789 -0.000214 0Rh 4dz2 -0.003014 0.000207 0.005666 0.000353 0.001392 0.000859 0Rh 4dxz -0.003845 -0.002229 -0.001055 -0.001125 0.002246 0.001169 0Rh 4dyz -0.001014 -0.002826 0.013220 -0.002235 0.000270 0.000216 0Rh 4dx2y2 0.005710 -0.000643 0.002021 -0.001575 -0.003228 -0.001745 0Rh 4dxy 0.002039 -0.002877 0.005128 0.001861 -0.000681 -0.000635 0Rh 5dz2 -0.002892 0.000484 0.005025 0.000507 0.004990 -0.000660 0Rh 5dxz -0.003752 -0.002440 -0.001234 -0.001209 0.007577 -0.000735 0Rh 5dyz -0.000952 -0.002141 0.011308 -0.002120 0.000778 -0.000207 0Rh 5dx2y2 0.005631 -0.000433 0.001623 -0.001721 -0.011045 0.001167 0Rh 5dxy 0.002180 -0.002786 0.004285 0.002268 -0.002597 0.000730 0Rh 1f0 -0.000299 0.000146 0.000163 -0.001281 -0.000518 -0.000116 0Rh 1f+1 0.000260 0.000419 -0.000252 -0.000003 0.000363 0.000094 0Rh 1f-1 0.000074 0.001978 0.000710 -0.000431 0.000062 0.000034 0Rh 1f+2 0.000367 -0.001103 -0.000086 -0.001406 0.000743 0.000175 0Rh 1f-2 0.000176 0.000839 -0.000679 -0.001099 0.000178 0.000061 0Rh 1f+3 0.000463 0.000318 0.000239 0.001012 0.000874 0.000201 0Rh 1f-3 0.000266 0.000004 0.000413 -0.000451 0.000290 0.000087 1Rh 1s -0.001697 0.000041 -0.000029 0.000001 0.000160 -0.000644 1Rh 2s 0.006582 -0.000164 0.000115 -0.000001 -0.000472 0.002404 1Rh 3s -0.005677 0.000135 -0.000097 0.000007 0.000628 -0.002215 1Rh 4s -0.026848 0.000673 -0.000471 0.000002 0.001842 -0.009775 1Rh 5s 0.020174 -0.000537 0.000364 0.000026 -0.000282 0.006665 1Rh 6s 0.034613 -0.000766 0.000575 -0.000096 -0.006099 0.014894 1Rh 7s -0.026221 0.000681 -0.000177 0.000072 0.012892 -0.019863 1Rh 8s -0.004254 -0.000849 -0.000622 0.000466 0.007073 -0.004766 1Rh 1pz -0.000520 -0.006274 -0.001690 -0.003714 -0.000255 0.001285 1Rh 1px 0.001721 -0.001234 -0.000432 -0.002392 0.000824 -0.003755 1Rh 1py 0.000379 -0.004248 -0.000345 0.006436 0.000170 -0.000389 1Rh 2pz 0.001741 0.020921 0.005637 0.012384 0.000857 -0.004276 1Rh 2px -0.005765 0.004117 0.001439 0.007976 -0.002768 0.012497 1Rh 2py -0.001269 0.014168 0.001149 -0.021463 -0.000570 0.001294 1Rh 3pz -0.001441 -0.015507 -0.004206 -0.009183 -0.000733 0.002989 1Rh 3px 0.004777 -0.003068 -0.001058 -0.005911 0.002374 -0.008751 1Rh 3py 0.001046 -0.010521 -0.000857 0.015924 0.000467 -0.000875 1Rh 4pz -0.001507 -0.024727 -0.006572 -0.014623 -0.000713 0.005645 1Rh 4px 0.004978 -0.004811 -0.001734 -0.009429 0.002282 -0.016443 1Rh 4py 0.001123 -0.016674 -0.001344 0.025318 0.000559 -0.001823 1Rh 5pz -0.001067 -0.000872 -0.000356 -0.000539 -0.000263 -0.000316 1Rh 5px 0.003500 -0.000251 0.000016 -0.000330 0.000867 0.000920 1Rh 5py 0.000666 -0.000700 -0.000058 0.000965 -0.000028 0.000473 1Rh 6pz 0.003878 -0.002866 -0.000364 -0.001251 -0.005514 0.000069 1Rh 6px -0.010198 -0.000075 -0.000576 -0.001427 0.018438 -0.003994 1Rh 6py -0.001276 -0.001361 0.000039 0.002329 0.004612 -0.006874 1Rh 1dz2 0.001454 0.001170 -0.002445 0.000640 0.000054 -0.001164 1Rh 1dxz 0.001836 -0.001285 -0.000036 -0.000629 0.000126 -0.001787 1Rh 1dyz 0.000497 0.001248 -0.006544 -0.000016 -0.000010 -0.000199 1Rh 1dx2y2 -0.002761 0.000159 -0.001114 -0.000634 -0.000169 0.002600 1Rh 1dxy -0.001014 -0.000409 -0.002645 0.001440 0.000023 0.000576 1Rh 2dz2 -0.000030 -0.000005 0.000034 -0.000001 0.000033 -0.000048 1Rh 2dxz -0.000035 -0.000002 0.000002 0.000000 0.000042 -0.000070 1Rh 2dyz -0.000007 -0.000014 0.000093 -0.000010 0.000007 -0.000003 1Rh 2dx2y2 0.000050 -0.000002 0.000019 -0.000007 -0.000064 0.000103 1Rh 2dxy 0.000015 -0.000010 0.000038 0.000003 -0.000024 0.000015 1Rh 3dz2 -0.001761 -0.001498 0.003044 -0.000824 -0.000203 0.001719 1Rh 3dxz -0.002238 0.001680 0.000042 0.000817 -0.000336 0.002636 1Rh 3dyz -0.000615 -0.001566 0.008135 0.000062 -0.000014 0.000273 1Rh 3dx2y2 0.003366 -0.000200 0.001375 0.000849 0.000479 -0.003827 1Rh 3dxy 0.001253 0.000572 0.003289 -0.001883 0.000066 -0.000818 1Rh 4dz2 -0.003033 -0.002319 0.005019 -0.001258 0.000338 0.001604 1Rh 4dxz -0.003808 0.002470 0.000093 0.001221 0.000340 0.002486 1Rh 4dyz -0.001014 -0.002522 0.013469 -0.000044 0.000112 0.000324 1Rh 4dx2y2 0.005714 -0.000310 0.002317 0.001182 -0.000551 -0.003620 1Rh 4dxy 0.002052 0.000720 0.005457 -0.002775 -0.000366 -0.000856 1Rh 5dz2 -0.002914 -0.002321 0.004303 -0.001302 -0.002315 0.004498 1Rh 5dxz -0.003717 0.002732 0.000020 0.001323 -0.003235 0.006880 1Rh 5dyz -0.000952 -0.002411 0.011454 0.000175 -0.000461 0.000661 1Rh 5dx2y2 0.005639 -0.000359 0.001904 0.001396 0.004829 -0.010030 1Rh 5dxy 0.002195 0.000973 0.004585 -0.003036 0.001562 -0.002212 1Rh 1f0 0.000298 0.000236 -0.000303 -0.001242 -0.000066 0.000526 1Rh 1f+1 -0.000254 0.000293 0.000390 -0.000057 0.000035 -0.000379 1Rh 1f-1 -0.000049 0.002114 0.000043 -0.000374 -0.000011 -0.000071 1Rh 1f+2 -0.000384 -0.001001 -0.000575 -0.001363 0.000086 -0.000756 1Rh 1f-2 -0.000170 0.000553 0.000760 -0.001222 0.000003 -0.000187 1Rh 1f+3 -0.000455 0.000359 0.000072 0.001028 0.000107 -0.000894 1Rh 1f-3 -0.000266 0.000181 -0.000446 -0.000377 0.000017 -0.000305 2C 1s 0.004724 0.007466 -0.003224 0.000175 -0.000121 -0.000095 2C 2s 0.009837 0.015558 -0.006717 0.000364 -0.000255 -0.000207 2C 3s -0.014566 -0.023832 0.010014 -0.000519 0.000549 0.000688 2C 4s -0.011271 -0.011794 0.006913 -0.000524 -0.000359 -0.001485 2C 5s 0.025637 0.011852 0.010396 -0.000370 0.003644 0.004368 2C 1pz -0.007604 -0.011939 0.005117 -0.000281 0.000222 0.000168 2C 1px -0.001510 -0.002332 0.001031 -0.000060 -0.000079 0.000089 2C 1py -0.005114 -0.008035 0.003432 -0.000177 0.000110 0.000124 2C 2pz -0.002233 -0.001571 0.001560 0.000105 0.000180 -0.000433 2C 2px -0.000326 -0.000523 0.000007 0.000163 0.000065 -0.000392 2C 2py -0.001306 -0.000689 0.000960 -0.000514 0.000094 -0.000302 2C 3pz 0.005440 0.001408 0.003037 -0.000658 0.000731 0.000418 2C 3px 0.000004 0.000387 0.001782 -0.000541 -0.000879 0.000544 2C 3py 0.003827 0.000880 0.001915 0.000756 0.000296 0.000570 2C 1dz2 -0.000333 -0.000464 0.000221 0.000007 0.000007 0.000007 2C 1dxz -0.000098 -0.000133 0.000051 -0.000002 0.000001 -0.000009 2C 1dyz -0.000572 -0.000800 0.000396 -0.000034 0.000014 -0.000001 2C 1dx2y2 0.000099 0.000132 -0.000040 0.000015 -0.000004 0.000001 2C 1dxy -0.000130 -0.000181 0.000101 0.000008 0.000001 -0.000004 2C 2dz2 0.000026 0.000504 -0.000107 0.000080 0.000085 -0.000155 2C 2dxz 0.000030 0.000421 0.000184 -0.000013 -0.000038 0.000055 2C 2dyz 0.000010 0.000534 -0.000310 -0.000056 0.000026 -0.000286 2C 2dx2y2 -0.000258 -0.000653 0.000025 0.000061 0.000011 -0.000075 2C 2dxy -0.000280 -0.000363 0.000108 0.000021 -0.000077 -0.000068 2C 1f0 0.000059 0.000122 -0.000048 0.000040 0.000008 -0.000006 2C 1f+1 0.000278 0.000475 -0.000197 0.000035 0.000006 -0.000021 2C 1f-1 -0.000178 -0.000112 0.000079 -0.000005 -0.000021 -0.000038 2C 1f+2 -0.000061 -0.000152 0.000065 0.000027 0.000012 0.000026 2C 1f-2 -0.000111 -0.000135 0.000089 -0.000005 -0.000020 -0.000037 2C 1f+3 0.000058 0.000144 -0.000058 -0.000004 0.000005 -0.000012 2C 1f-3 0.000253 0.000406 -0.000191 -0.000003 0.000007 -0.000003 3C 1s 0.004485 -0.000891 0.005323 0.006290 -0.000058 -0.000131 3C 2s 0.009338 -0.001855 0.011087 0.013106 -0.000129 -0.000280 3C 3s -0.013911 0.002743 -0.016814 -0.020299 0.000551 0.000640 3C 4s -0.010352 0.002098 -0.009738 -0.008712 -0.001561 -0.000632 3C 5s 0.024893 -0.000252 -0.003965 0.015646 0.002913 0.004429 3C 1pz -0.004302 0.000832 -0.005039 -0.006034 0.000093 0.000092 3C 1px -0.002718 0.000531 -0.003190 -0.003768 -0.000024 0.000171 3C 1py 0.007217 -0.001422 0.008472 0.010053 -0.000135 -0.000203 3C 2pz -0.001061 0.000746 -0.000995 0.000045 -0.000296 0.000067 3C 2px -0.000612 0.000179 -0.000448 -0.000328 -0.000129 -0.000096 3C 2py 0.001820 -0.000177 0.001605 0.000700 0.000585 0.000117 3C 3pz 0.003947 -0.000985 -0.000513 0.001180 0.000305 0.000285 3C 3px 0.001343 0.000173 -0.001378 0.001082 -0.000290 0.000913 3C 3py -0.005083 -0.000791 0.002011 -0.002753 -0.000372 -0.000455 3C 1dz2 0.000127 -0.000001 0.000166 0.000150 -0.000004 -0.000003 3C 1dxz -0.000119 0.000026 -0.000116 -0.000144 -0.000002 0.000007 3C 1dyz 0.000507 -0.000107 0.000582 0.000613 0.000002 -0.000006 3C 1dx2y2 0.000267 -0.000046 0.000282 0.000324 0.000012 -0.000008 3C 1dxy 0.000261 -0.000054 0.000289 0.000314 -0.000005 -0.000006 3C 2dz2 0.000248 0.000070 0.000131 0.000249 0.000076 0.000034 3C 2dxz 0.000114 0.000042 0.000118 0.000417 -0.000101 0.000090 3C 2dyz -0.000124 0.000018 -0.000555 -0.000418 0.000254 0.000180 3C 2dx2y2 -0.000217 0.000034 -0.000367 -0.000892 0.000057 0.000061 3C 2dxy -0.000000 -0.000039 -0.000150 -0.000451 0.000095 -0.000058 3C 1f0 0.000154 -0.000029 0.000121 0.000105 0.000017 0.000017 3C 1f+1 0.000163 -0.000017 0.000194 0.000209 -0.000004 -0.000003 3C 1f-1 -0.000027 -0.000032 -0.000058 -0.000043 0.000015 0.000005 3C 1f+2 0.000194 -0.000044 0.000191 0.000189 0.000053 0.000023 3C 1f-2 -0.000054 -0.000006 -0.000100 -0.000137 0.000020 0.000011 3C 1f+3 0.000151 -0.000046 0.000226 0.000293 -0.000010 -0.000002 3C 1f-3 -0.000229 0.000072 -0.000307 -0.000366 0.000017 0.000018 4C 1s 0.031555 0.048867 -0.021107 0.001138 -0.000680 -0.000542 4C 2s 0.066911 0.103648 -0.044785 0.002415 -0.001422 -0.001115 4C 3s -0.108166 -0.167542 0.073488 -0.004054 0.000768 -0.000020 4C 4s -0.076521 -0.117565 0.046636 -0.001983 0.010552 0.011546 4C 5s -0.012566 -0.006078 -0.007005 0.000598 0.002610 -0.000822 4C 1pz -0.028965 -0.044526 0.019336 -0.000877 0.001245 0.000119 4C 1px -0.005978 -0.009258 0.004016 -0.000121 -0.002176 0.000952 4C 1py -0.019865 -0.030548 0.013227 -0.000975 -0.000075 0.000438 4C 2pz -0.009410 -0.009851 0.003643 -0.000073 0.001944 0.001431 4C 2px -0.002187 -0.002249 0.000792 0.000148 0.000392 0.000437 4C 2py -0.006721 -0.007181 0.002627 -0.000323 0.001423 0.000974 4C 3pz 0.013203 0.008868 0.008628 0.000463 0.001820 0.002377 4C 3px 0.002391 0.001254 0.001149 0.000701 0.002936 0.000003 4C 3py 0.008482 0.005806 0.005649 -0.001812 0.002402 0.001151 4C 1dz2 0.001530 0.002408 -0.001011 -0.000019 0.000072 -0.000112 4C 1dxz 0.003460 0.005335 -0.002267 0.000089 -0.000290 0.000026 4C 1dyz -0.001911 -0.002803 0.001228 -0.000026 0.000079 0.000044 4C 1dx2y2 -0.005629 -0.008662 0.003670 -0.000252 0.000153 0.000171 4C 1dxy -0.003031 -0.004617 0.001966 -0.000107 -0.000069 0.000155 4C 2dz2 -0.000627 -0.001503 0.000640 0.000673 -0.000641 0.000105 4C 2dxz 0.000633 0.000909 -0.000104 0.000334 -0.000271 -0.001085 4C 2dyz -0.002600 -0.005292 0.001794 -0.000460 0.000178 0.000512 4C 2dx2y2 -0.001880 -0.002955 0.000955 0.000551 0.001186 0.000897 4C 2dxy -0.001626 -0.002960 0.001022 0.000018 0.001004 0.000323 4C 1f0 0.001316 0.002110 -0.000819 0.000063 -0.000099 -0.000137 4C 1f+1 0.002707 0.004344 -0.001700 0.000072 -0.000249 -0.000199 4C 1f-1 0.001353 0.002193 -0.000850 0.000051 -0.000063 -0.000063 4C 1f+2 -0.002544 -0.004089 0.001591 -0.000040 0.000157 0.000253 4C 1f-2 0.000445 0.000723 -0.000281 0.000055 0.000014 -0.000009 4C 1f+3 -0.000094 -0.000146 0.000047 -0.000041 -0.000020 0.000083 4C 1f-3 0.002242 0.003592 -0.001400 0.000090 -0.000238 -0.000154 5C 1s 0.029943 -0.005823 0.034814 0.041108 -0.000317 -0.000755 5C 2s 0.063484 -0.012353 0.073844 0.087174 -0.000644 -0.001570 5C 3s -0.102316 0.020235 -0.120062 -0.140207 -0.000298 0.000747 5C 4s -0.073862 0.012822 -0.081127 -0.101605 0.008214 0.012114 5C 5s -0.012753 -0.000575 0.003807 -0.008555 -0.001173 0.001104 5C 1pz -0.016700 0.003491 -0.019253 -0.022725 0.000638 -0.000198 5C 1px -0.010688 0.002096 -0.012385 -0.014593 -0.001477 0.001912 5C 1py 0.027383 -0.005116 0.031717 0.037277 -0.000516 -0.000250 5C 2pz -0.005679 0.001137 -0.004259 -0.005550 0.000636 0.001077 5C 2px -0.003271 0.000038 -0.002140 -0.002660 0.000100 0.001127 5C 2py 0.008918 -0.001127 0.006432 0.008276 -0.000833 -0.001939 5C 3pz 0.006969 0.001901 -0.002383 0.006802 0.000371 0.002143 5C 3px 0.004665 0.000106 -0.001306 0.004391 0.001173 -0.000948 5C 3py -0.012291 0.000582 0.004340 -0.011212 -0.000512 -0.003241 5C 1dz2 0.003471 -0.000727 0.003951 0.004718 0.000006 -0.000173 5C 1dxz 0.003220 -0.000653 0.003694 0.004426 -0.000163 -0.000042 5C 1dyz 0.003010 -0.000531 0.003387 0.003988 -0.000131 -0.000035 5C 1dx2y2 -0.004546 0.000812 -0.005223 -0.006249 -0.000014 0.000239 5C 1dxy -0.000906 0.000175 -0.001067 -0.001304 0.000185 -0.000129 5C 2dz2 0.002088 0.000418 0.002425 0.003184 -0.000748 -0.000678 5C 2dxz 0.000724 0.000199 0.000597 0.000912 0.000030 -0.000753 5C 2dyz 0.002785 -0.000941 0.003550 0.005102 -0.000277 -0.000762 5C 2dx2y2 -0.000772 0.000497 -0.000336 -0.000734 0.000771 0.000900 5C 2dxy 0.000758 0.000032 0.001184 0.001519 -0.000534 0.000463 5C 1f0 0.000384 -0.000092 0.000429 0.000537 0.000017 -0.000101 5C 1f+1 0.001579 -0.000300 0.001791 0.002277 -0.000131 -0.000165 5C 1f-1 -0.000242 -0.000013 -0.000284 -0.000344 0.000015 0.000008 5C 1f+2 -0.000948 0.000219 -0.001085 -0.001383 -0.000014 0.000048 5C 1f-2 -0.002222 0.000401 -0.002544 -0.003225 0.000083 0.000208 5C 1f+3 0.002433 -0.000440 0.002768 0.003510 -0.000202 -0.000206 5C 1f-3 -0.002556 0.000451 -0.002901 -0.003669 0.000122 0.000233 6C 1s 0.029786 -0.007022 0.027078 -0.046504 -0.000605 -0.000552 6C 2s 0.063150 -0.014892 0.057439 -0.098619 -0.001263 -0.001133 6C 3s -0.101773 0.024114 -0.093697 0.158831 0.000791 -0.000036 6C 4s -0.073507 0.016910 -0.061868 0.114113 0.008736 0.011831 6C 5s -0.012791 -0.001073 0.005138 0.007840 0.001449 -0.000740 6C 1pz 0.016604 -0.003633 0.015069 -0.025699 0.000399 -0.000533 6C 1px 0.010649 -0.002482 0.009661 -0.016540 -0.002293 0.000745 6C 1py -0.027237 0.006578 -0.024625 0.042188 0.000063 0.000568 6C 2pz 0.005668 -0.000476 0.003390 -0.006230 -0.000820 -0.000964 6C 2px 0.003260 -0.000737 0.001514 -0.002983 -0.000987 -0.000462 6C 2py -0.008890 0.001267 -0.004906 0.009278 0.001567 0.001439 6C 3pz -0.006921 0.000713 0.004046 0.006271 -0.002016 -0.001065 6C 3px -0.004656 -0.000483 0.001959 0.004131 0.001293 -0.000784 6C 3py 0.012275 0.002393 -0.005617 -0.010427 0.003058 0.001551 6C 1dz2 0.003454 -0.000735 0.003089 -0.005332 -0.000165 -0.000052 6C 1dxz 0.003206 -0.000712 0.002878 -0.005003 0.000014 -0.000168 6C 1dyz 0.002992 -0.000717 0.002621 -0.004510 0.000011 -0.000135 6C 1dx2y2 -0.004522 0.001108 -0.004025 0.007056 0.000230 0.000067 6C 1dxy -0.000897 0.000216 -0.000818 0.001462 -0.000181 0.000130 6C 2dz2 0.002068 -0.001236 0.001518 -0.003527 -0.000395 -0.000931 6C 2dxz 0.000719 -0.000392 0.000319 -0.000994 -0.000736 -0.000227 6C 2dyz 0.002779 -0.000363 0.002748 -0.005656 -0.000636 -0.000520 6C 2dx2y2 -0.000785 -0.000345 -0.000381 0.000805 0.000600 0.001026 6C 2dxy 0.000753 -0.000445 0.000813 -0.001697 0.000624 -0.000339 6C 1f0 -0.000381 0.000067 -0.000336 0.000602 0.000102 0.000018 6C 1f+1 -0.001572 0.000356 -0.001367 0.002554 0.000112 0.000178 6C 1f-1 0.000239 -0.000113 0.000196 -0.000386 -0.000002 -0.000016 6C 1f+2 0.000943 -0.000181 0.000842 -0.001550 -0.000050 -0.000003 6C 1f-2 0.002211 -0.000528 0.001934 -0.003617 -0.000171 -0.000148 6C 1f+3 -0.002419 0.000572 -0.002104 0.003934 0.000127 0.000259 6C 1f-3 0.002543 -0.000610 0.002204 -0.004116 -0.000181 -0.000193 7C 1s 0.030988 -0.037351 -0.038219 0.003830 -0.000278 -0.000821 7C 2s 0.065710 -0.079216 -0.081077 0.008123 -0.000564 -0.001711 7C 3s -0.106208 0.127608 0.132067 -0.013161 -0.000278 0.000692 7C 4s -0.075236 0.091554 0.088102 -0.009278 0.007237 0.013929 7C 5s -0.012482 0.008464 -0.004130 0.000354 -0.001744 0.002245 7C 1pz 0.028405 -0.033948 -0.034837 0.003657 0.000303 -0.001208 7C 1px 0.005861 -0.007058 -0.007228 0.000821 -0.001613 0.001727 7C 1py 0.019566 -0.023397 -0.024035 0.002146 -0.000434 -0.000077 7C 2pz 0.009305 -0.007825 -0.007143 0.000830 -0.000654 -0.002314 7C 2px 0.002174 -0.001818 -0.001581 0.000347 -0.000281 -0.000567 7C 2py 0.006661 -0.005714 -0.005234 0.000335 -0.000416 -0.001698 7C 3pz -0.013028 0.011577 -0.004366 0.001583 -0.001604 -0.002585 7C 3px -0.002332 0.001560 -0.000465 0.000841 0.001017 -0.002853 7C 3py -0.008426 0.007663 -0.003221 -0.001050 -0.000240 -0.002734 7C 1dz2 0.001515 -0.001869 -0.001859 0.000260 -0.000130 0.000028 7C 1dxz 0.003399 -0.004095 -0.004134 0.000447 0.000121 -0.000263 7C 1dyz -0.001885 0.002146 0.002210 -0.000262 0.000014 0.000090 7C 1dx2y2 -0.005525 0.006642 0.006713 -0.000617 0.000109 0.000202 7C 1dxy -0.002976 0.003537 0.003583 -0.000357 0.000168 -0.000012 7C 2dz2 -0.000587 0.001142 0.001020 -0.000813 0.000320 -0.000584 7C 2dxz 0.000634 -0.000812 -0.000514 -0.000283 -0.000913 -0.000629 7C 2dyz -0.002552 0.004226 0.003754 -0.000007 0.000427 0.000343 7C 2dx2y2 -0.001850 0.002407 0.001921 -0.000791 0.000425 0.001439 7C 2dxy -0.001603 0.002372 0.002079 -0.000278 -0.000033 0.001067 7C 1f0 -0.001288 0.001642 0.001564 -0.000137 0.000095 0.000140 7C 1f+1 -0.002651 0.003380 0.003225 -0.000340 0.000101 0.000304 7C 1f-1 -0.001328 0.001713 0.001627 -0.000156 0.000039 0.000081 7C 1f+2 0.002502 -0.003200 -0.003035 0.000347 -0.000183 -0.000234 7C 1f-2 -0.000440 0.000567 0.000547 -0.000014 0.000013 -0.000010 7C 1f+3 0.000095 -0.000120 -0.000109 -0.000028 -0.000085 -0.000009 7C 1f-3 -0.002210 0.002813 0.002683 -0.000251 0.000064 0.000280 8C 1s 0.004461 -0.001072 0.004139 -0.007115 -0.000104 -0.000098 8C 2s 0.009288 -0.002232 0.008621 -0.014824 -0.000220 -0.000215 8C 3s -0.013834 0.003435 -0.012981 0.022897 0.000418 0.000735 8C 4s -0.010318 0.001643 -0.008202 0.010275 -0.000072 -0.001690 8C 5s 0.024884 0.001942 -0.006183 -0.014879 0.003398 0.004234 8C 1pz 0.004278 -0.001023 0.003901 -0.006812 -0.000055 -0.000119 8C 1px 0.002705 -0.000645 0.002481 -0.004263 -0.000169 -0.000035 8C 1py -0.007179 0.001702 -0.006584 0.011366 0.000146 0.000195 8C 2pz 0.001065 0.000293 0.001194 -0.000148 -0.000163 0.000260 8C 2px 0.000610 -0.000003 0.000417 -0.000410 0.000050 0.000158 8C 2py -0.001812 0.000452 -0.001413 0.000957 0.000086 -0.000588 8C 3pz -0.003955 -0.001092 0.000305 0.001133 -0.000189 -0.000385 8C 3px -0.001333 -0.000388 0.001519 0.000858 -0.000981 -0.000033 8C 3py 0.005086 0.000067 -0.002595 -0.002372 0.000348 0.000504 8C 1dz2 0.000126 -0.000059 0.000126 -0.000175 -0.000001 -0.000005 8C 1dxz -0.000119 0.000018 -0.000092 0.000161 0.000007 0.000000 8C 1dyz 0.000505 -0.000111 0.000469 -0.000705 -0.000006 -0.000000 8C 1dx2y2 0.000266 -0.000058 0.000220 -0.000368 -0.000012 0.000008 8C 1dxy 0.000259 -0.000054 0.000231 -0.000359 -0.000003 -0.000006 8C 2dz2 0.000244 -0.000110 0.000049 -0.000263 0.000008 0.000082 8C 2dxz 0.000111 -0.000070 0.000020 -0.000429 0.000119 -0.000065 8C 2dyz -0.000122 0.000184 -0.000442 0.000505 0.000088 0.000298 8C 2dx2y2 -0.000217 0.000083 -0.000202 0.000942 0.000038 0.000076 8C 2dxy 0.000003 0.000079 -0.000045 0.000467 -0.000087 0.000071 8C 1f0 -0.000153 0.000018 -0.000102 0.000123 -0.000011 -0.000022 8C 1f+1 -0.000164 0.000055 -0.000151 0.000243 0.000001 0.000004 8C 1f-1 0.000026 -0.000050 0.000033 -0.000051 -0.000000 -0.000015 8C 1f+2 -0.000193 0.000029 -0.000159 0.000220 -0.000004 -0.000057 8C 1f-2 0.000053 -0.000040 0.000065 -0.000150 -0.000004 -0.000023 8C 1f+3 -0.000151 0.000037 -0.000175 0.000330 -0.000001 0.000010 8C 1f-3 0.000226 -0.000042 0.000245 -0.000411 -0.000012 -0.000022 9C 1s 0.004638 -0.005706 -0.005839 0.000585 -0.000048 -0.000145 9C 2s 0.009659 -0.011891 -0.012167 0.001218 -0.000108 -0.000309 9C 3s -0.014295 0.018319 0.018380 -0.001859 0.000465 0.000749 9C 4s -0.011129 0.008358 0.010935 -0.000976 -0.001307 -0.000838 9C 5s 0.025433 -0.015178 0.004967 -0.000952 0.002907 0.004985 9C 1pz 0.007454 -0.009126 -0.009285 0.000925 -0.000082 -0.000264 9C 1px 0.001475 -0.001762 -0.001836 0.000180 -0.000109 0.000045 9C 1py 0.005042 -0.006180 -0.006274 0.000637 -0.000080 -0.000146 9C 2pz 0.002217 -0.000883 -0.002023 0.000410 0.000480 -0.000032 9C 2px 0.000322 -0.000497 -0.000186 0.000179 0.000393 0.000068 9C 2py 0.001304 -0.000286 -0.001228 -0.000327 0.000335 0.000012 9C 3pz -0.005418 0.002517 -0.002309 -0.000199 -0.000143 -0.000856 9C 3px 0.000019 0.001057 -0.001562 -0.000255 -0.000812 0.000670 9C 3py -0.003792 0.001588 -0.001322 0.001033 -0.000454 -0.000480 9C 1dz2 -0.000325 0.000345 0.000376 -0.000057 0.000004 0.000009 9C 1dxz -0.000095 0.000102 0.000096 -0.000010 -0.000009 -0.000002 9C 1dyz -0.000564 0.000594 0.000676 -0.000055 -0.000006 0.000013 9C 1dx2y2 0.000099 -0.000109 -0.000091 -0.000003 0.000002 -0.000004 9C 1dxy -0.000128 0.000130 0.000161 -0.000031 -0.000004 -0.000000 9C 2dz2 0.000023 -0.000415 -0.000303 -0.000048 -0.000179 0.000029 9C 2dxz 0.000023 -0.000452 0.000015 -0.000005 0.000064 -0.000018 9C 2dyz 0.000000 -0.000376 -0.000473 0.000120 -0.000283 -0.000069 9C 2dx2y2 -0.000244 0.000597 0.000259 -0.000083 -0.000073 -0.000017 9C 2dxy -0.000276 0.000294 0.000234 -0.000050 -0.000039 -0.000095 9C 1f0 -0.000058 0.000093 0.000097 0.000028 0.000008 -0.000005 9C 1f+1 -0.000271 0.000363 0.000365 -0.000012 0.000022 0.000001 9C 1f-1 0.000175 -0.000074 -0.000115 0.000012 0.000029 0.000032 9C 1f+2 0.000056 -0.000114 -0.000109 0.000042 -0.000021 -0.000021 9C 1f-2 0.000106 -0.000088 -0.000130 0.000013 0.000028 0.000032 9C 1f+3 -0.000054 0.000108 0.000103 -0.000018 0.000014 -0.000001 9C 1f-3 -0.000252 0.000311 0.000337 -0.000047 0.000005 -0.000006 10H 1s -0.002092 -0.003385 0.001510 -0.000083 0.000018 0.000059 10H 2s -0.002367 -0.002814 0.001548 -0.000127 0.000024 0.000453 10H 3s -0.001208 -0.002011 -0.000835 0.000167 0.000066 -0.001044 10H 1pz -0.000324 -0.000553 0.000266 -0.000021 0.000004 0.000064 10H 1px 0.000330 0.000474 -0.000273 0.000023 -0.000016 -0.000065 10H 1py -0.000142 -0.000248 0.000130 -0.000013 0.000001 0.000034 11H 1s -0.001943 -0.003196 0.001337 -0.000074 0.000069 0.000036 11H 2s -0.002540 -0.003540 0.001182 0.000100 0.000163 -0.000101 11H 3s -0.002849 -0.001380 0.000897 -0.000617 -0.000843 -0.000403 11H 1pz -0.000541 -0.000883 0.000387 0.000030 0.000040 0.000014 11H 1px -0.000236 -0.000448 0.000109 0.000026 0.000027 -0.000008 11H 1py -0.000079 -0.000094 0.000089 -0.000005 -0.000022 -0.000004 12H 1s -0.001970 -0.003224 0.001383 -0.000073 0.000078 0.000040 12H 2s -0.002304 -0.002916 0.001138 -0.000185 0.000284 -0.000076 12H 3s -0.002442 -0.001761 0.000465 0.000256 -0.000705 -0.000212 12H 1pz -0.000182 -0.000298 0.000153 -0.000026 0.000004 0.000007 12H 1px -0.000146 -0.000280 0.000057 -0.000018 0.000022 -0.000014 12H 1py -0.000442 -0.000721 0.000321 -0.000059 0.000065 0.000020 13H 1s -0.001971 0.000405 -0.002433 -0.002821 0.000023 0.000090 13H 2s -0.002322 0.000512 -0.002393 -0.002396 -0.000037 0.000360 13H 3s -0.001217 -0.000175 0.000001 -0.002153 -0.000191 -0.000891 13H 1pz -0.000340 0.000096 -0.000458 -0.000459 0.000013 0.000058 13H 1px 0.000216 -0.000052 0.000262 0.000259 -0.000013 -0.000032 13H 1py 0.000241 -0.000065 0.000327 0.000382 0.000005 -0.000043 14H 1s -0.001884 0.000384 -0.002310 -0.002732 0.000042 0.000042 14H 2s -0.002304 0.000485 -0.002159 -0.002524 0.000244 -0.000043 14H 3s -0.002165 -0.000018 -0.000938 -0.001822 -0.000679 -0.000219 14H 1pz -0.000326 0.000098 -0.000427 -0.000432 0.000047 0.000013 14H 1px -0.000332 0.000091 -0.000389 -0.000504 0.000043 0.000003 14H 1py 0.000157 -0.000048 0.000209 0.000243 -0.000008 0.000001 15H 1s -0.001831 0.000369 -0.002216 -0.002695 0.000026 0.000053 15H 2s -0.002403 0.000189 -0.002253 -0.003151 -0.000014 -0.000096 15H 3s -0.002845 0.000954 -0.001365 -0.001078 -0.000531 -0.000511 15H 1pz -0.000024 0.000025 -0.000057 0.000058 -0.000002 -0.000003 15H 1px -0.000153 0.000009 -0.000177 -0.000256 -0.000000 -0.000002 15H 1py 0.000554 -0.000048 0.000678 0.000829 -0.000023 -0.000001 16H 1s -0.001302 -0.000367 -0.000001 0.000184 -0.088400 -0.015475 16H 2s -0.000671 0.000229 0.000480 -0.000042 -0.062313 -0.010510 16H 3s -0.000038 -0.000603 0.000253 -0.000090 -0.001535 0.000023 16H 1pz -0.000225 0.000019 0.000056 -0.000017 -0.015143 -0.002580 16H 1px 0.000028 0.000075 -0.000066 -0.000007 -0.000017 -0.000061 16H 1py -0.000083 0.000034 0.000008 0.000044 -0.005254 -0.000922 17H 1s -0.001278 -0.000197 -0.000076 0.000308 -0.088380 -0.015471 17H 2s -0.000628 -0.000055 -0.000324 -0.000355 -0.061984 -0.010487 17H 3s 0.000035 0.000100 -0.000189 0.000449 -0.001571 0.000044 17H 1pz 0.000148 -0.000015 -0.000003 0.000046 0.010425 0.001807 17H 1px 0.000146 -0.000015 0.000074 -0.000028 0.009326 0.001541 17H 1py -0.000118 -0.000040 -0.000010 -0.000027 -0.007497 -0.001307 18H 1s -0.001274 0.000232 -0.000038 -0.000292 0.015292 -0.088429 18H 2s -0.000623 0.000168 -0.000196 0.000393 0.011065 -0.061873 18H 3s 0.000035 -0.000015 -0.000279 -0.000406 0.000567 -0.001416 18H 1pz -0.000152 -0.000014 0.000004 0.000045 0.001860 -0.010649 18H 1px -0.000146 0.000015 -0.000075 -0.000016 0.001701 -0.009302 18H 1py 0.000114 -0.000040 -0.000013 -0.000025 -0.001250 0.007203 19H 1s -0.001296 0.000359 0.000115 -0.000192 0.015293 -0.088438 19H 2s -0.000670 -0.000394 0.000367 -0.000027 0.011170 -0.062282 19H 3s -0.000030 0.000457 0.000480 0.000018 0.000542 -0.001453 19H 1pz 0.000222 0.000038 -0.000047 -0.000007 -0.002666 0.015006 19H 1px -0.000029 0.000044 0.000088 -0.000021 0.000073 -0.000088 19H 1py 0.000088 0.000033 0.000011 0.000044 -0.000966 0.005596 20H 1s -0.001822 0.000445 -0.001712 0.003038 0.000042 0.000043 20H 2s -0.002390 0.000618 -0.001601 0.003485 -0.000094 -0.000041 20H 3s -0.002846 -0.000354 -0.001413 0.001332 -0.000313 -0.000681 20H 1pz 0.000022 -0.000001 0.000069 0.000049 0.000002 0.000004 20H 1px 0.000154 -0.000054 0.000122 -0.000286 0.000002 0.000001 20H 1py -0.000549 0.000195 -0.000498 0.000929 -0.000008 0.000023 21H 1s -0.001871 0.000466 -0.001794 0.003088 0.000026 0.000054 21H 2s -0.002297 0.000326 -0.001726 0.002871 -0.000128 0.000210 21H 3s -0.002167 0.000348 -0.000550 0.001939 0.000006 -0.000710 21H 1pz 0.000327 -0.000064 0.000356 -0.000503 0.000004 -0.000049 21H 1px 0.000329 -0.000053 0.000303 -0.000563 0.000012 -0.000040 21H 1py -0.000158 0.000030 -0.000170 0.000277 -0.000004 0.000008 22H 1s -0.001961 0.000493 -0.001901 0.003199 0.000078 0.000052 22H 2s -0.002314 0.000399 -0.001977 0.002778 0.000351 0.000086 22H 3s -0.001206 0.000102 0.000432 0.002129 -0.000785 -0.000478 22H 1pz 0.000336 -0.000076 0.000375 -0.000529 -0.000051 -0.000032 22H 1px -0.000217 0.000048 -0.000218 0.000303 0.000025 0.000023 22H 1py -0.000241 0.000056 -0.000261 0.000435 0.000043 0.000010 23H 1s -0.001931 0.002466 0.002510 -0.000254 0.000012 0.000086 23H 2s -0.002275 0.002294 0.002193 -0.000091 -0.000175 0.000241 23H 3s -0.002440 0.001460 0.001080 -0.000391 0.000043 -0.000744 23H 1pz 0.000181 -0.000218 -0.000261 0.000009 -0.000006 -0.000006 23H 1px 0.000139 -0.000234 -0.000157 -0.000000 0.000021 -0.000015 23H 1py 0.000438 -0.000553 -0.000582 0.000016 0.000005 -0.000068 24H 1s -0.001906 0.002458 0.002462 -0.000245 0.000011 0.000077 24H 2s -0.002503 0.002838 0.002426 -0.000399 -0.000153 0.000128 24H 3s -0.002814 0.000955 0.001435 0.000414 -0.000099 -0.000942 24H 1pz 0.000529 -0.000670 -0.000685 0.000120 -0.000000 -0.000044 24H 1px 0.000234 -0.000379 -0.000271 0.000058 0.000017 -0.000024 24H 1py 0.000078 -0.000057 -0.000117 0.000013 -0.000003 0.000022 25H 1s -0.002055 0.002571 0.002695 -0.000270 0.000049 0.000036 25H 2s -0.002337 0.002031 0.002518 -0.000217 0.000415 0.000181 25H 3s -0.001172 0.002198 -0.000018 -0.000088 -0.001012 -0.000281 25H 1pz 0.000320 -0.000414 -0.000462 0.000041 -0.000059 -0.000026 25H 1px -0.000325 0.000337 0.000436 -0.000037 0.000056 0.000037 25H 1py 0.000135 -0.000177 -0.000210 0.000015 -0.000030 -0.000013 26O 1s 0.031717 0.048463 -0.021080 0.001138 0.000603 -0.000863 26O 2s 0.074965 0.114614 -0.049835 0.002690 0.001394 -0.002047 26O 3s -0.107400 -0.165123 0.071388 -0.003856 -0.001466 0.003042 26O 4s -0.143755 -0.215269 0.096351 -0.005211 -0.004577 0.004075 26O 5s -0.045751 -0.083604 0.029541 -0.001915 -0.006441 -0.003879 26O 1pz -0.002135 -0.001797 0.001139 0.000266 0.000015 -0.000008 26O 1px 0.036042 0.056132 -0.024042 0.001499 -0.000605 -0.001051 26O 1py 0.012181 0.019918 -0.008384 -0.000108 -0.000214 -0.000386 26O 2pz -0.003273 -0.003608 0.001763 0.000196 -0.000370 0.000131 26O 2px 0.028867 0.045262 -0.019885 0.001280 0.000424 -0.000386 26O 2py 0.008696 0.014560 -0.006327 -0.000071 0.000030 -0.000089 26O 3pz -0.000066 -0.005171 -0.002421 0.000394 0.000970 -0.000323 26O 3px 0.004024 0.007159 -0.004205 0.000660 0.002960 0.003840 26O 3py 0.001454 -0.000608 -0.003171 0.000087 0.000884 0.001250 26O 1dz2 0.001025 0.001649 -0.000664 0.000057 -0.000000 -0.000022 26O 1dxz -0.000172 -0.000245 0.000142 -0.000015 -0.000019 -0.000021 26O 1dyz -0.000053 0.000041 0.000074 -0.000023 0.000029 0.000015 26O 1dx2y2 -0.001328 -0.002067 0.000870 -0.000048 0.000003 0.000058 26O 1dxy -0.001288 -0.001954 0.000880 -0.000025 0.000006 0.000039 26O 2dz2 0.002124 0.003168 -0.001620 0.000206 0.000259 0.000050 26O 2dxz -0.000440 -0.000778 0.000229 0.000072 -0.000178 0.000147 26O 2dyz -0.001145 -0.002255 0.000725 -0.000083 -0.000301 -0.000034 26O 2dx2y2 -0.003190 -0.005027 0.002442 -0.000039 -0.000294 -0.000216 26O 2dxy -0.003335 -0.005453 0.002427 -0.000181 -0.000494 -0.000076 26O 1f0 -0.000104 -0.000160 0.000073 0.000002 -0.000013 0.000002 26O 1f+1 -0.000680 -0.001059 0.000472 -0.000024 -0.000020 0.000009 26O 1f-1 -0.000417 -0.000682 0.000329 -0.000023 -0.000020 0.000008 26O 1f+2 0.000090 0.000153 -0.000070 0.000000 0.000028 -0.000009 26O 1f-2 0.000093 0.000126 -0.000057 -0.000001 -0.000001 0.000006 26O 1f+3 -0.000391 -0.000615 0.000285 -0.000002 -0.000003 -0.000005 26O 1f-3 -0.000877 -0.001359 0.000612 -0.000044 -0.000023 0.000001 27O 1s 0.029981 -0.005761 0.034532 0.040537 0.000519 -0.001429 27O 2s 0.070851 -0.013620 0.081639 0.095865 0.001211 -0.003388 27O 3s -0.101450 0.019512 -0.117183 -0.138206 -0.001452 0.005016 27O 4s -0.135943 0.026198 -0.155945 -0.179117 -0.003074 0.006351 27O 5s -0.042430 0.009276 -0.053011 -0.072378 -0.006219 -0.002946 27O 1pz -0.005549 0.001545 -0.005874 -0.006774 0.000028 0.000177 27O 1px 0.035697 -0.006834 0.041695 0.049568 -0.000145 -0.001617 27O 1py -0.002374 0.000947 -0.003442 -0.004686 0.000012 0.000234 27O 2pz -0.005298 0.001397 -0.005630 -0.006495 -0.000207 0.000226 27O 2px 0.028148 -0.005685 0.033743 0.039387 0.000756 -0.000642 27O 2py -0.000436 0.000569 -0.001431 -0.001987 0.000246 -0.000153 27O 3pz -0.000207 0.000282 -0.000184 -0.004343 -0.001301 -0.000856 27O 3px 0.004340 -0.001566 0.006824 0.005617 0.000014 0.003696 27O 3py -0.000778 0.000631 -0.001498 0.004528 0.000739 0.000134 27O 1dz2 0.000929 -0.000153 0.001087 0.001244 0.000002 -0.000054 27O 1dxz 0.000293 -0.000067 0.000324 0.000434 0.000024 -0.000024 27O 1dyz -0.000026 -0.000001 -0.000040 -0.000159 -0.000038 -0.000014 27O 1dx2y2 -0.001623 0.000317 -0.001879 -0.002278 -0.000023 0.000083 27O 1dxy 0.000554 -0.000126 0.000659 0.000692 -0.000028 -0.000022 27O 2dz2 0.002736 -0.000513 0.003436 0.003932 0.000249 0.000075 27O 2dxz 0.000551 -0.000039 0.000750 0.000648 -0.000147 0.000118 27O 2dyz 0.000727 -0.000232 0.000960 0.001448 0.000241 0.000038 27O 2dx2y2 -0.003710 0.000923 -0.004642 -0.005023 -0.000206 -0.000128 27O 2dxy 0.001738 -0.000335 0.002123 0.002676 0.000436 -0.000058 27O 1f0 0.000214 -0.000042 0.000291 0.000310 0.000006 -0.000003 27O 1f+1 -0.000721 0.000152 -0.000854 -0.000982 -0.000018 0.000012 27O 1f-1 0.000155 -0.000034 0.000194 0.000213 0.000004 -0.000002 27O 1f+2 -0.000061 -0.000004 -0.000046 -0.000068 0.000008 -0.000008 27O 1f-2 0.000038 -0.000008 0.000060 0.000071 0.000027 -0.000010 27O 1f+3 -0.000802 0.000173 -0.000976 -0.001111 -0.000029 0.000020 27O 1f-3 0.000434 -0.000080 0.000519 0.000592 0.000018 -0.000009 28O 1s 0.031267 0.047716 -0.020773 0.001123 -0.001646 0.000004 28O 2s 0.073889 0.112830 -0.049099 0.002655 -0.003895 -0.000007 28O 3s -0.105770 -0.162460 0.070243 -0.003806 0.005653 0.000305 28O 4s -0.141706 -0.211725 0.095149 -0.005148 0.007542 -0.000648 28O 5s -0.045365 -0.083285 0.028693 -0.001605 -0.001098 -0.007007 28O 1pz 0.019688 0.031995 -0.013383 0.001045 -0.000949 -0.000381 28O 1px -0.032330 -0.049772 0.021485 -0.000944 0.001340 0.000556 28O 1py -0.000376 0.000459 -0.000011 -0.000553 -0.000077 -0.000029 28O 2pz 0.014353 0.023922 -0.010378 0.000863 -0.000288 0.000203 28O 2px -0.026511 -0.040928 0.018092 -0.000830 0.000885 -0.000477 28O 2py -0.001450 -0.001165 0.000583 -0.000459 0.000257 -0.000203 28O 3pz 0.003334 0.000166 -0.004577 0.000535 0.002171 -0.000606 28O 3px -0.003883 -0.008559 0.002842 -0.000016 -0.003093 -0.001920 28O 3py 0.000592 -0.003156 -0.001828 -0.000143 -0.000140 -0.000299 28O 1dz2 -0.000106 -0.000098 0.000106 -0.000002 -0.000009 0.000037 28O 1dxz 0.001728 0.002693 -0.001154 0.000077 -0.000090 -0.000014 28O 1dyz -0.000101 -0.000034 0.000111 -0.000006 0.000004 0.000041 28O 1dx2y2 -0.001162 -0.001812 0.000761 -0.000020 0.000070 0.000008 28O 1dxy 0.000141 0.000253 -0.000100 -0.000014 0.000004 0.000003 28O 2dz2 -0.000534 -0.001066 0.000295 0.000123 0.000178 -0.000293 28O 2dxz 0.004194 0.006577 -0.003094 0.000223 -0.000018 0.000341 28O 2dyz -0.001317 -0.002505 0.000831 -0.000121 0.000107 -0.000327 28O 2dx2y2 -0.002848 -0.004462 0.002181 -0.000057 -0.000105 -0.000148 28O 2dxy 0.000116 0.000068 -0.000054 0.000049 -0.000090 0.000066 28O 1f0 -0.000443 -0.000690 0.000310 -0.000016 0.000014 -0.000015 28O 1f+1 -0.000488 -0.000749 0.000339 -0.000008 0.000021 -0.000014 28O 1f-1 -0.000033 -0.000092 0.000057 -0.000001 0.000019 -0.000015 28O 1f+2 0.000937 0.001465 -0.000669 0.000037 -0.000029 0.000020 28O 1f-2 -0.000232 -0.000367 0.000176 -0.000020 0.000005 -0.000003 28O 1f+3 0.000489 0.000752 -0.000338 0.000022 -0.000008 0.000002 28O 1f-3 -0.000026 -0.000041 0.000008 -0.000011 0.000010 -0.000014 29O 1s 0.001394 0.000255 0.000041 -0.000213 0.096527 0.016810 29O 2s 0.003303 0.000603 0.000099 -0.000504 0.228757 0.039805 29O 3s -0.004876 -0.000833 -0.000154 0.000727 -0.331796 -0.057333 29O 4s -0.005238 -0.001217 -0.000099 0.000871 -0.447409 -0.079526 29O 5s -0.005617 -0.000801 -0.000433 0.001039 -0.160069 -0.023989 29O 1pz 0.000211 0.000194 -0.000018 0.000057 0.019296 0.003390 29O 1px -0.000282 -0.000033 -0.000018 0.000110 -0.036501 -0.006436 29O 1py 0.000909 0.000239 0.000030 -0.000255 0.063505 0.011062 29O 2pz 0.000080 0.000251 0.000042 0.000061 0.015986 0.002674 29O 2px 0.000081 -0.000067 0.000008 0.000199 -0.029481 -0.004843 29O 2py 0.000823 0.000263 0.000023 -0.000258 0.056254 0.009825 29O 3pz -0.000419 0.000609 0.000621 0.000458 0.001924 0.000979 29O 3px 0.001332 0.000278 0.000252 0.000100 -0.003507 -0.002238 29O 3py 0.000565 0.000526 0.000101 -0.000883 0.006820 0.001357 29O 1dz2 -0.000054 -0.000022 0.000000 -0.000003 -0.002512 -0.000456 29O 1dxz -0.000054 0.000018 0.000005 0.000015 -0.001686 -0.000320 29O 1dyz -0.000016 -0.000002 0.000019 0.000016 -0.000753 -0.000136 29O 1dx2y2 0.000055 0.000005 0.000004 0.000013 0.000550 0.000135 29O 1dxy 0.000050 0.000026 0.000011 -0.000030 0.002882 0.000518 29O 2dz2 0.000055 0.000042 -0.000009 0.000058 -0.004653 -0.000744 29O 2dxz 0.000132 -0.000147 -0.000020 -0.000039 -0.003138 -0.000440 29O 2dyz 0.000015 -0.000063 -0.000077 -0.000114 -0.001506 -0.000241 29O 2dx2y2 -0.000262 -0.000006 -0.000007 -0.000102 0.000641 -0.000065 29O 2dxy -0.000007 -0.000101 -0.000035 0.000100 0.006585 0.001082 29O 1f0 0.000039 0.000010 0.000005 -0.000012 0.002506 0.000449 29O 1f+1 -0.000017 -0.000017 0.000002 -0.000004 -0.000953 -0.000173 29O 1f-1 0.000043 0.000014 0.000008 -0.000011 0.003065 0.000537 29O 1f+2 -0.000026 0.000006 -0.000004 0.000010 -0.001299 -0.000245 29O 1f-2 0.000023 0.000002 -0.000006 -0.000002 0.001851 0.000320 29O 1f+3 -0.000031 -0.000009 0.000002 -0.000002 -0.001309 -0.000254 29O 1f-3 -0.000017 -0.000014 0.000002 0.000019 -0.001007 -0.000183 30O 1s 0.029794 -0.005763 0.034292 0.040257 -0.001030 0.000260 30O 2s 0.070412 -0.013624 0.081077 0.095208 -0.002433 0.000590 30O 3s -0.100833 0.019552 -0.116407 -0.137310 0.003420 -0.000402 30O 4s -0.134974 0.026079 -0.154683 -0.177587 0.005435 -0.002558 30O 5s -0.042395 0.008188 -0.052409 -0.071566 -0.002071 -0.005797 30O 1pz 0.015334 -0.002504 0.018347 0.021917 -0.000407 -0.000410 30O 1px -0.029185 0.005729 -0.033542 -0.039567 0.000677 0.000699 30O 1py -0.014220 0.003237 -0.017150 -0.020937 0.000390 0.000371 30O 2pz 0.011366 -0.001885 0.014142 0.016498 -0.000085 -0.000122 30O 2px -0.024196 0.004788 -0.028150 -0.032702 0.000531 -0.000321 30O 2py -0.009827 0.002373 -0.012553 -0.014949 0.000087 0.000137 30O 3pz 0.001966 -0.000357 0.003231 -0.000412 0.001134 0.002024 30O 3px -0.002952 0.000605 -0.004690 -0.007687 -0.002631 -0.002221 30O 3py -0.002322 0.001028 -0.003504 0.002446 -0.001310 -0.001312 30O 1dz2 0.000300 -0.000057 0.000341 0.000386 -0.000018 -0.000036 30O 1dxz 0.001246 -0.000216 0.001449 0.001732 -0.000043 -0.000003 30O 1dyz 0.000774 -0.000166 0.000904 0.000939 -0.000030 -0.000024 30O 1dx2y2 -0.000543 0.000110 -0.000607 -0.000806 0.000039 0.000006 30O 1dxy -0.001215 0.000255 -0.001419 -0.001730 0.000033 -0.000015 30O 2dz2 0.001193 -0.000112 0.001547 0.001738 0.000056 0.000187 30O 2dxz 0.002727 -0.000552 0.003424 0.003710 0.000024 0.000259 30O 2dyz 0.002719 -0.000605 0.003387 0.004219 -0.000070 0.000426 30O 2dx2y2 -0.001135 0.000342 -0.001471 -0.001361 -0.000214 0.000031 30O 2dxy -0.002560 0.000506 -0.003131 -0.003336 0.000048 -0.000205 30O 1f0 -0.000478 0.000092 -0.000539 -0.000630 -0.000005 0.000004 30O 1f+1 0.000006 0.000010 0.000018 0.000006 0.000007 -0.000010 30O 1f-1 -0.000031 0.000010 -0.000032 -0.000038 -0.000005 -0.000003 30O 1f+2 0.000407 -0.000093 0.000517 0.000577 -0.000010 0.000010 30O 1f-2 0.000802 -0.000166 0.000981 0.001104 -0.000010 0.000021 30O 1f+3 -0.000123 0.000020 -0.000160 -0.000177 0.000018 -0.000018 30O 1f-3 0.000555 -0.000104 0.000663 0.000764 -0.000012 0.000016 31O 1s 0.029633 -0.006901 0.026716 -0.045566 0.000589 -0.000880 31O 2s 0.070032 -0.016316 0.063158 -0.107761 0.001366 -0.002087 31O 3s -0.100286 0.023410 -0.090574 0.155323 -0.001510 0.003079 31O 4s -0.134257 0.031190 -0.121193 0.201593 -0.004244 0.004236 31O 5s -0.042091 0.010763 -0.038924 0.079504 -0.004877 -0.003899 31O 1pz -0.015251 0.004208 -0.014020 0.024748 0.000250 0.000521 31O 1px 0.029025 -0.006659 0.026131 -0.044756 -0.000432 -0.000871 31O 1py 0.014133 -0.003088 0.013358 -0.023577 -0.000219 -0.000491 31O 2pz -0.011303 0.003292 -0.010856 0.018684 0.000083 0.000119 31O 2px 0.024061 -0.005621 0.022005 -0.037060 0.000488 -0.000388 31O 2py 0.009760 -0.002261 0.009836 -0.016878 -0.000095 -0.000126 31O 3pz -0.001963 0.000955 -0.003145 0.000154 -0.001571 -0.001760 31O 3px 0.002906 -0.001028 0.003220 -0.008363 0.001257 0.003226 31O 3py 0.002311 -0.000508 0.003966 0.001821 0.000866 0.001683 31O 1dz2 0.000298 -0.000070 0.000267 -0.000438 -0.000028 -0.000029 31O 1dxz 0.001240 -0.000316 0.001114 -0.001956 0.000011 -0.000041 31O 1dyz 0.000771 -0.000173 0.000730 -0.001081 -0.000013 -0.000036 31O 1dx2y2 -0.000540 0.000112 -0.000461 0.000899 -0.000007 0.000039 31O 1dxy -0.001208 0.000268 -0.001102 0.001949 -0.000024 0.000026 31O 2dz2 0.001183 -0.000449 0.001161 -0.001972 0.000157 0.000115 31O 2dxz 0.002711 -0.000719 0.002710 -0.004245 0.000244 0.000112 31O 2dyz 0.002703 -0.000638 0.002612 -0.004739 0.000430 0.000078 31O 2dx2y2 -0.001131 0.000218 -0.001244 0.001597 0.000098 -0.000193 31O 2dxy -0.002544 0.000658 -0.002486 0.003822 -0.000218 -0.000024 31O 1f0 0.000476 -0.000108 0.000421 -0.000713 -0.000005 0.000003 31O 1f+1 -0.000005 0.000016 -0.000011 0.000008 0.000012 -0.000003 31O 1f-1 0.000031 -0.000002 0.000027 -0.000044 0.000001 0.000006 31O 1f+2 -0.000405 0.000099 -0.000410 0.000658 -0.000013 0.000006 31O 1f-2 -0.000798 0.000197 -0.000772 0.001256 -0.000023 0.000002 31O 1f+3 0.000122 -0.000039 0.000123 -0.000201 0.000023 -0.000011 31O 1f-3 -0.000551 0.000140 -0.000516 0.000866 -0.000019 0.000006 32O 1s 0.001389 -0.000273 -0.000032 0.000207 -0.016779 0.096529 32O 2s 0.003292 -0.000644 -0.000073 0.000490 -0.039795 0.228749 32O 3s -0.004859 0.000900 0.000080 -0.000706 0.058095 -0.331638 32O 4s -0.005215 0.001242 0.000264 -0.000861 0.076258 -0.447986 32O 5s -0.005609 0.001007 -0.000266 -0.000958 0.031465 -0.158686 32O 1pz -0.000187 0.000169 0.000100 0.000050 0.003048 -0.017702 32O 1px 0.000289 -0.000045 0.000019 0.000106 -0.006373 0.037121 32O 1py -0.000907 0.000251 0.000027 -0.000252 0.011064 -0.063666 32O 2pz -0.000058 0.000241 0.000067 0.000063 0.002643 -0.014570 32O 2px -0.000076 -0.000067 -0.000000 0.000200 -0.005483 0.029872 32O 2py -0.000821 0.000274 0.000042 -0.000253 0.009765 -0.056352 32O 3pz 0.000432 0.000780 -0.000254 0.000534 -0.000315 -0.001866 32O 3px -0.001325 0.000362 -0.000098 0.000131 0.000904 0.004184 32O 3py -0.000564 0.000568 -0.000055 -0.000864 0.001033 -0.006920 32O 1dz2 -0.000053 0.000021 0.000009 0.000003 0.000414 -0.002489 32O 1dxz -0.000055 -0.000018 -0.000005 -0.000015 0.000278 -0.001750 32O 1dyz -0.000017 -0.000005 0.000015 -0.000019 0.000143 -0.000851 32O 1dx2y2 0.000055 -0.000006 -0.000001 -0.000014 -0.000056 0.000545 32O 1dxy 0.000049 -0.000029 0.000005 0.000029 -0.000482 0.002867 32O 2dz2 0.000054 -0.000038 -0.000033 -0.000056 0.000869 -0.004617 32O 2dxz 0.000132 0.000140 0.000044 0.000036 0.000658 -0.003177 32O 2dyz 0.000013 0.000086 -0.000027 0.000122 0.000305 -0.001635 32O 2dx2y2 -0.000262 0.000007 0.000016 0.000100 -0.000269 0.000535 32O 2dxy -0.000008 0.000109 -0.000009 -0.000099 -0.001195 0.006501 32O 1f0 -0.000036 0.000011 -0.000003 -0.000010 0.000392 -0.002325 32O 1f+1 0.000018 -0.000016 -0.000008 -0.000002 -0.000179 0.001076 32O 1f-1 -0.000044 0.000018 -0.000003 -0.000010 0.000545 -0.003151 32O 1f+2 0.000028 0.000003 0.000007 0.000009 -0.000237 0.001469 32O 1f-2 -0.000022 0.000000 0.000006 -0.000003 0.000317 -0.001812 32O 1f+3 0.000030 -0.000007 -0.000006 -0.000002 -0.000192 0.001252 32O 1f-3 0.000016 -0.000013 -0.000004 0.000019 -0.000165 0.000998 33O 1s 0.030703 -0.036402 -0.037457 0.003751 0.000552 -0.001545 33O 2s 0.072557 -0.086086 -0.088551 0.008867 0.001291 -0.003662 33O 3s -0.103853 0.124121 0.127088 -0.012712 -0.001595 0.005413 33O 4s -0.139197 0.160410 0.168930 -0.016954 -0.003140 0.006868 33O 5s -0.044338 0.066272 0.058385 -0.005696 -0.006062 -0.003448 33O 1pz -0.019288 0.024566 0.024637 -0.002139 0.000037 0.001018 33O 1px 0.031765 -0.038072 -0.038894 0.004110 -0.000068 -0.001447 33O 1py 0.000345 0.000473 0.000136 -0.000567 0.000001 0.000084 33O 2pz -0.014043 0.018205 0.018762 -0.001580 -0.000274 0.000195 33O 2px 0.026041 -0.031133 -0.032372 0.003396 0.000735 -0.000667 33O 2py 0.001411 -0.000826 -0.001026 -0.000327 0.000280 -0.000175 33O 3pz -0.003342 -0.001566 0.004326 -0.000215 0.001301 -0.001824 33O 3px 0.003769 -0.006841 -0.005879 0.000716 0.000736 0.003575 33O 3py -0.000641 -0.003589 0.000437 -0.000333 0.000198 0.000246 33O 1dz2 -0.000102 0.000048 0.000132 -0.000018 0.000038 0.000004 33O 1dxz 0.001696 -0.002060 -0.002099 0.000195 0.000017 -0.000089 33O 1dyz -0.000102 -0.000008 0.000117 -0.000013 0.000037 0.000018 33O 1dx2y2 -0.001142 0.001395 0.001394 -0.000161 -0.000016 0.000069 33O 1dxy 0.000141 -0.000201 -0.000190 0.000038 0.000001 0.000005 33O 2dz2 -0.000515 0.000872 0.000649 -0.000203 -0.000336 0.000069 33O 2dxz 0.004111 -0.004919 -0.005378 0.000488 0.000321 0.000099 33O 2dyz -0.001293 0.002011 0.001747 -0.000095 -0.000342 -0.000011 33O 2dx2y2 -0.002800 0.003318 0.003718 -0.000438 -0.000101 -0.000149 33O 2dxy 0.000122 -0.000049 -0.000091 -0.000036 0.000094 -0.000063 33O 1f0 0.000436 -0.000524 -0.000552 0.000056 0.000019 -0.000008 33O 1f+1 0.000477 -0.000565 -0.000595 0.000070 0.000020 -0.000015 33O 1f-1 0.000032 -0.000062 -0.000086 0.000011 0.000021 -0.000012 33O 1f+2 -0.000919 0.001105 0.001178 -0.000118 -0.000028 0.000020 33O 1f-2 0.000230 -0.000275 -0.000307 0.000021 0.000004 -0.000004 33O 1f+3 -0.000481 0.000570 0.000601 -0.000057 -0.000004 0.000006 33O 1f-3 0.000028 -0.000036 -0.000027 -0.000008 0.000017 -0.000005 34O 1s 0.029832 -0.006991 0.026898 -0.045905 -0.001519 0.000006 34O 2s 0.070501 -0.016529 0.063586 -0.108555 -0.003594 -0.000004 34O 3s -0.100947 0.023737 -0.091158 0.156412 0.005204 0.000332 34O 4s -0.135286 0.031544 -0.122186 0.203424 0.007017 -0.000777 34O 5s -0.042152 0.009969 -0.039789 0.080464 -0.000752 -0.006763 34O 1pz 0.005539 -0.000680 0.004818 -0.007721 -0.000157 -0.000086 34O 1px -0.035514 0.008527 -0.032329 0.056033 0.001473 0.000678 34O 1py 0.002365 -0.000326 0.002722 -0.005226 -0.000217 -0.000089 34O 2pz 0.005285 -0.000729 0.004583 -0.007396 -0.000285 0.000120 34O 2px -0.027999 0.006775 -0.026342 0.044629 0.000851 -0.000486 34O 2py 0.000434 0.000034 0.001193 -0.002215 0.000233 -0.000185 34O 3pz 0.000188 0.000333 -0.000445 -0.004304 0.000384 0.001512 34O 3px -0.004312 0.001053 -0.005876 0.006727 -0.003473 -0.001286 34O 3py 0.000782 -0.000149 0.002340 0.004205 0.000080 -0.000703 34O 1dz2 0.000924 -0.000247 0.000840 -0.001412 -0.000051 -0.000016 34O 1dxz 0.000293 -0.000052 0.000250 -0.000486 -0.000031 0.000015 34O 1dyz -0.000025 0.000011 -0.000009 0.000163 -0.000001 -0.000041 34O 1dx2y2 -0.001614 0.000374 -0.001452 0.002569 0.000085 0.000006 34O 1dxy 0.000552 -0.000121 0.000533 -0.000797 -0.000012 -0.000033 34O 2dz2 0.002718 -0.000752 0.002668 -0.004462 -0.000012 0.000258 34O 2dxz 0.000549 -0.000239 0.000592 -0.000768 0.000161 -0.000100 34O 2dyz 0.000724 -0.000116 0.000723 -0.001595 -0.000045 0.000240 34O 2dx2y2 -0.003690 0.000813 -0.003742 0.005752 -0.000051 -0.000235 34O 2dxy 0.001730 -0.000441 0.001618 -0.003005 -0.000202 0.000391 34O 1f0 -0.000213 0.000066 -0.000230 0.000356 0.000005 -0.000005 34O 1f+1 0.000717 -0.000164 0.000672 -0.001115 -0.000018 0.000013 34O 1f-1 -0.000155 0.000038 -0.000154 0.000244 0.000004 -0.000003 34O 1f+2 0.000061 -0.000020 0.000030 -0.000075 0.000011 -0.000005 34O 1f-2 -0.000038 0.000014 -0.000046 0.000081 0.000019 -0.000022 34O 1f+3 0.000797 -0.000189 0.000770 -0.001263 -0.000028 0.000021 34O 1f-3 -0.000432 0.000112 -0.000405 0.000673 0.000015 -0.000014 35O 1s 0.031164 -0.037000 -0.038050 0.003813 -0.001006 0.000276 35O 2s 0.073658 -0.087510 -0.089970 0.009015 -0.002374 0.000620 35O 3s -0.105519 0.126227 0.129245 -0.012943 0.003323 -0.000344 35O 4s -0.141301 0.163340 0.171513 -0.017215 0.005339 -0.002954 35O 5s -0.044712 0.066246 0.059334 -0.005534 -0.001446 -0.007501 35O 1pz 0.002130 -0.001273 -0.001705 0.000503 0.000012 -0.000012 35O 1px -0.035393 0.042974 0.043749 -0.004178 0.000776 0.000921 35O 1py -0.011970 0.015342 0.015305 -0.002092 0.000288 0.000330 35O 2pz 0.003247 -0.002718 -0.002982 0.000592 -0.000249 0.000308 35O 2px -0.028330 0.034442 0.035729 -0.003379 0.000500 -0.000283 35O 2py -0.008538 0.011129 0.011364 -0.001555 0.000094 -0.000006 35O 3pz 0.000007 -0.005713 0.000276 0.000163 0.000648 -0.000828 35O 3px -0.003922 0.005002 0.006677 -0.000259 -0.002579 -0.004176 35O 3py -0.001453 -0.001772 0.002662 -0.000403 -0.000853 -0.001315 35O 1dz2 0.001005 -0.001277 -0.001247 0.000103 -0.000020 -0.000008 35O 1dxz -0.000168 0.000172 0.000225 -0.000016 -0.000014 -0.000024 35O 1dyz -0.000054 -0.000067 0.000056 0.000012 0.000004 0.000033 35O 1dx2y2 -0.001303 0.001587 0.001594 -0.000158 0.000053 0.000023 35O 1dxy -0.001268 0.001483 0.001560 -0.000180 0.000034 0.000019 35O 2dz2 0.002086 -0.002321 -0.002728 0.000159 -0.000041 0.000265 35O 2dxz -0.000427 0.000634 0.000492 -0.000132 0.000200 -0.000122 35O 2dyz -0.001121 0.001817 0.001544 -0.000107 0.000070 -0.000297 35O 2dx2y2 -0.003126 0.003734 0.004158 -0.000514 -0.000103 -0.000357 35O 2dxy -0.003275 0.004140 0.004343 -0.000386 0.000097 -0.000498 35O 1f0 0.000102 -0.000121 -0.000128 0.000019 -0.000006 0.000012 35O 1f+1 0.000668 -0.000803 -0.000841 0.000086 -0.000015 0.000016 35O 1f-1 0.000410 -0.000508 -0.000566 0.000052 -0.000014 0.000017 35O 1f+2 -0.000088 0.000115 0.000122 -0.000016 0.000018 -0.000023 35O 1f-2 -0.000091 0.000095 0.000100 -0.000014 -0.000006 -0.000001 35O 1f+3 0.000382 -0.000462 -0.000495 0.000063 0.000003 0.000005 35O 1f-3 0.000862 -0.001029 -0.001088 0.000099 -0.000009 0.000022 60 61 62 63 64 65 -0.97300 -0.96871 -0.96755 -0.96730 -0.72133 -0.71985 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s 0.001779 0.000055 0.000006 -0.000009 0.001399 -0.000025 0Rh 2s -0.006763 -0.000211 -0.000019 0.000042 -0.005336 0.000096 0Rh 3s 0.006039 0.000184 0.000021 -0.000025 0.004759 -0.000084 0Rh 4s 0.027643 0.000863 0.000077 -0.000178 0.022170 -0.000400 0Rh 5s -0.019908 -0.000638 -0.000031 0.000193 -0.016644 0.000307 0Rh 6s -0.039660 -0.001188 -0.000190 0.000033 -0.032166 0.000567 0Rh 7s 0.052655 0.001457 0.000192 0.000393 0.027930 -0.000415 0Rh 8s 0.014642 0.000867 0.000968 0.000620 0.003185 -0.000043 0Rh 1pz -0.000109 -0.000203 -0.006579 0.003940 -0.000210 -0.000070 0Rh 1px 0.000484 -0.000030 -0.001266 0.002456 0.000679 -0.000028 0Rh 1py 0.000158 -0.000105 -0.004429 -0.006543 0.000173 -0.000038 0Rh 2pz 0.000368 0.000678 0.021971 -0.013159 0.000715 0.000234 0Rh 2px -0.001624 0.000102 0.004228 -0.008204 -0.002303 0.000094 0Rh 2py -0.000529 0.000349 0.014794 0.021853 -0.000584 0.000126 0Rh 3pz -0.000343 -0.000534 -0.016334 0.009781 -0.000697 -0.000185 0Rh 3px 0.001382 -0.000077 -0.003126 0.006095 0.002191 -0.000084 0Rh 3py 0.000429 -0.000246 -0.011003 -0.016251 0.000532 -0.000095 0Rh 4pz -0.000161 -0.000725 -0.026728 0.016014 -0.000364 -0.000278 0Rh 4px 0.001222 -0.000123 -0.005195 0.009997 0.001353 -0.000078 0Rh 4py 0.000497 -0.000469 -0.017977 -0.026565 0.000437 -0.000166 0Rh 5pz -0.000754 -0.000154 0.000256 -0.000151 -0.000913 -0.000006 0Rh 5px 0.002060 0.000018 0.000103 -0.000152 0.002624 -0.000045 0Rh 5py 0.000333 0.000082 0.000146 0.000218 0.000459 0.000021 0Rh 6pz 0.010860 0.000389 -0.008052 0.004527 0.002350 0.000903 0Rh 6px -0.030705 -0.000715 -0.001380 0.003602 -0.008824 -0.000046 0Rh 6py -0.004286 -0.000706 -0.005613 -0.007813 -0.001144 0.001110 0Rh 1dz2 -0.002241 0.003377 -0.000324 0.000146 -0.001801 0.003447 0Rh 1dxz -0.002808 -0.000396 0.000479 -0.000201 -0.002481 -0.000267 0Rh 1dyz -0.000788 0.008411 -0.000176 -0.000281 -0.000321 0.008467 0Rh 1dx2y2 0.004226 0.001404 -0.000010 -0.000328 0.003736 0.001180 0Rh 1dxy 0.001539 0.003341 0.000278 0.000406 0.001491 0.003294 0Rh 2dz2 0.000039 -0.000051 -0.000002 0.000003 0.000040 -0.000037 0Rh 2dxz 0.000053 -0.000000 0.000011 -0.000003 0.000051 -0.000002 0Rh 2dyz 0.000012 -0.000133 0.000001 -0.000002 0.000008 -0.000099 0Rh 2dx2y2 -0.000076 -0.000025 -0.000002 -0.000006 -0.000075 -0.000016 0Rh 2dxy -0.000030 -0.000055 0.000007 0.000010 -0.000025 -0.000037 0Rh 3dz2 0.002810 -0.004282 0.000433 -0.000200 0.002378 -0.004717 0Rh 3dxz 0.003512 0.000526 -0.000669 0.000274 0.003298 0.000383 0Rh 3dyz 0.000996 -0.010639 0.000228 0.000374 0.000419 -0.011562 0Rh 3dx2y2 -0.005283 -0.001769 0.000021 0.000451 -0.004964 -0.001608 0Rh 3dxy -0.001923 -0.004220 -0.000388 -0.000569 -0.002005 -0.004507 0Rh 4dz2 0.004629 -0.006895 0.000609 -0.000263 0.003664 -0.006675 0Rh 4dxz 0.005842 0.000751 -0.000830 0.000366 0.005005 0.000469 0Rh 4dyz 0.001613 -0.017227 0.000334 0.000547 0.000665 -0.016462 0Rh 4dx2y2 -0.008786 -0.002893 -0.000006 0.000594 -0.007539 -0.002307 0Rh 4dxy -0.003202 -0.006871 -0.000490 -0.000701 -0.002945 -0.006396 0Rh 5dz2 0.003991 -0.005869 0.000603 -0.000288 0.003155 -0.006314 0Rh 5dxz 0.004814 0.000822 -0.000937 0.000351 0.004422 0.000565 0Rh 5dyz 0.001416 -0.014537 0.000469 0.000299 0.000515 -0.015292 0Rh 5dx2y2 -0.007324 -0.002418 0.000101 0.000532 -0.006673 -0.002097 0Rh 5dxy -0.002575 -0.005701 -0.000434 -0.000834 -0.002794 -0.005964 0Rh 1f0 0.000150 -0.000115 0.000401 0.001461 0.000124 -0.000122 0Rh 1f+1 -0.000145 0.000188 0.000742 -0.000181 -0.000104 0.000162 0Rh 1f-1 -0.000043 -0.000115 0.002652 0.000476 -0.000033 -0.000150 0Rh 1f+2 -0.000188 -0.000173 -0.001599 0.001785 -0.000184 -0.000121 0Rh 1f-2 -0.000103 0.000396 0.000867 0.001654 -0.000069 0.000364 0Rh 1f+3 -0.000236 -0.000035 0.000385 -0.001536 -0.000200 -0.000024 0Rh 1f-3 -0.000148 -0.000223 0.000385 0.000811 -0.000129 -0.000214 1Rh 1s -0.001779 -0.000054 -0.000012 -0.000004 0.001399 -0.000025 1Rh 2s 0.006763 0.000210 0.000049 0.000025 -0.005336 0.000097 1Rh 3s -0.006040 -0.000183 -0.000039 -0.000010 0.004759 -0.000085 1Rh 4s -0.027642 -0.000859 -0.000200 -0.000108 0.022171 -0.000405 1Rh 5s 0.019909 0.000636 0.000168 0.000141 -0.016646 0.000311 1Rh 6s 0.039657 0.001179 0.000213 -0.000066 -0.032166 0.000574 1Rh 7s -0.052638 -0.001439 -0.000347 0.000514 0.027919 -0.000409 1Rh 8s -0.014666 -0.000844 0.000799 0.000698 0.003224 -0.000111 1Rh 1pz -0.000193 0.000085 0.006582 -0.003940 0.000277 -0.000024 1Rh 1px 0.000463 0.000016 0.001271 -0.002457 -0.000660 0.000025 1Rh 1py 0.000123 0.000148 0.004433 0.006541 -0.000159 -0.000111 1Rh 2pz 0.000649 -0.000282 -0.021981 0.013157 -0.000940 0.000081 1Rh 2px -0.001555 -0.000052 -0.004245 0.008206 0.002238 -0.000084 1Rh 2py -0.000414 -0.000495 -0.014804 -0.021845 0.000540 0.000372 1Rh 3pz -0.000552 0.000181 0.016343 -0.009779 0.000870 -0.000058 1Rh 3px 0.001331 0.000038 0.003141 -0.006097 -0.002142 0.000077 1Rh 3py 0.000343 0.000382 0.011011 0.016245 -0.000498 -0.000288 1Rh 4pz -0.000498 0.000443 0.026733 -0.016012 0.000642 -0.000112 1Rh 4px 0.001140 0.000064 0.005208 -0.009998 -0.001270 0.000063 1Rh 4py 0.000358 0.000555 0.017988 0.026554 -0.000381 -0.000452 1Rh 5pz -0.000759 -0.000165 -0.000249 0.000152 0.000912 0.000009 1Rh 5px 0.002056 0.000019 -0.000082 0.000147 -0.002628 0.000049 1Rh 5py 0.000332 0.000074 -0.000142 -0.000217 -0.000461 -0.000014 1Rh 6pz 0.010767 0.000771 0.008146 -0.004542 -0.002397 -0.000851 1Rh 6px -0.030711 -0.000698 0.001093 -0.003531 0.008841 0.000014 1Rh 6py -0.004361 -0.000340 0.005608 0.007798 0.001164 -0.000996 1Rh 1dz2 0.002242 -0.003384 -0.000139 0.000166 -0.001809 0.003458 1Rh 1dxz 0.002798 0.000418 0.000488 -0.000210 -0.002460 -0.000292 1Rh 1dyz 0.000789 -0.008408 0.000239 -0.000226 -0.000321 0.008474 1Rh 1dx2y2 -0.004221 -0.001402 0.000006 -0.000308 0.003735 0.001184 1Rh 1dxy -0.001539 -0.003320 0.000419 0.000433 0.001493 0.003252 1Rh 2dz2 -0.000039 0.000051 -0.000005 0.000003 0.000040 -0.000037 1Rh 2dxz -0.000053 0.000001 0.000010 -0.000003 0.000052 -0.000002 1Rh 2dyz -0.000012 0.000133 -0.000005 -0.000003 0.000008 -0.000099 1Rh 2dx2y2 0.000077 0.000025 -0.000002 -0.000006 -0.000075 -0.000015 1Rh 2dxy 0.000030 0.000056 0.000005 0.000009 -0.000025 -0.000037 1Rh 3dz2 -0.002811 0.004292 0.000198 -0.000226 0.002389 -0.004732 1Rh 3dxz -0.003498 -0.000556 -0.000679 0.000285 0.003269 0.000420 1Rh 3dyz -0.000997 0.010636 -0.000298 0.000305 0.000419 -0.011571 1Rh 3dx2y2 0.005276 0.001768 0.000001 0.000426 -0.004960 -0.001615 1Rh 3dxy 0.001924 0.004190 -0.000566 -0.000602 -0.002007 -0.004444 1Rh 4dz2 -0.004630 0.006908 0.000232 -0.000302 0.003679 -0.006695 1Rh 4dxz -0.005824 -0.000788 -0.000852 0.000384 0.004968 0.000514 1Rh 4dyz -0.001616 0.017220 -0.000514 0.000435 0.000666 -0.016473 1Rh 4dx2y2 0.008775 0.002886 -0.000039 0.000553 -0.007535 -0.002310 1Rh 4dxy 0.003202 0.006833 -0.000778 -0.000756 -0.002948 -0.006323 1Rh 5dz2 -0.003996 0.005880 0.000272 -0.000325 0.003172 -0.006334 1Rh 5dxz -0.004800 -0.000866 -0.000948 0.000367 0.004385 0.000626 1Rh 5dyz -0.001414 0.014542 -0.000260 0.000204 0.000511 -0.015308 1Rh 5dx2y2 0.007324 0.002424 0.000077 0.000492 -0.006677 -0.002119 1Rh 5dxy 0.002580 0.005667 -0.000680 -0.000878 -0.002802 -0.005866 1Rh 1f0 0.000152 -0.000144 -0.000392 -0.001460 -0.000121 0.000143 1Rh 1f+1 -0.000135 0.000153 -0.000752 0.000181 0.000099 -0.000151 1Rh 1f-1 -0.000016 -0.000246 -0.002644 -0.000475 0.000013 0.000211 1Rh 1f+2 -0.000208 -0.000110 0.001605 -0.001783 0.000203 0.000109 1Rh 1f-2 -0.000096 0.000342 -0.000886 -0.001656 0.000067 -0.000330 1Rh 1f+3 -0.000228 -0.000043 -0.000387 0.001536 0.000192 0.000020 1Rh 1f-3 -0.000146 -0.000245 -0.000376 -0.000809 0.000129 0.000223 2C 1s 0.000142 -0.000136 -0.000189 -0.000003 0.042854 -0.045204 2C 2s 0.000284 -0.000281 -0.000398 -0.000007 0.091807 -0.096851 2C 3s -0.000372 0.000473 0.000628 0.000054 -0.139943 0.147357 2C 4s -0.000493 -0.000059 0.000065 -0.000255 -0.163124 0.174598 2C 5s 0.007037 -0.001432 0.001153 0.000289 -0.025556 0.012864 2C 1pz -0.001775 0.001744 0.002425 0.000033 -0.013571 0.013738 2C 1px 0.004778 -0.004760 -0.006602 -0.000085 -0.001562 0.001515 2C 1py 0.000730 -0.000738 -0.001020 -0.000009 -0.009420 0.009569 2C 2pz -0.001208 0.001243 0.001568 -0.000060 -0.010293 0.011459 2C 2px 0.004288 -0.003918 -0.005429 -0.000121 -0.000904 0.001149 2C 2py 0.000874 -0.000749 -0.001096 -0.000103 -0.007029 0.007783 2C 3pz 0.000726 0.000019 0.000608 -0.000139 -0.002358 -0.001227 2C 3px 0.000935 -0.000672 -0.001317 0.000140 -0.001029 0.000236 2C 3py 0.000875 -0.000254 -0.000129 0.000146 -0.002291 -0.000152 2C 1dz2 -0.000478 0.000470 0.000611 0.000010 -0.000761 0.000792 2C 1dxz 0.000738 -0.000725 -0.000952 -0.000018 -0.000331 0.000351 2C 1dyz -0.000011 0.000013 0.000030 -0.000006 -0.001189 0.001236 2C 1dx2y2 0.000131 -0.000129 -0.000151 -0.000008 0.000361 -0.000392 2C 1dxy 0.000566 -0.000555 -0.000725 -0.000002 -0.000263 0.000266 2C 2dz2 -0.000982 0.000876 0.001230 -0.000023 -0.001491 0.001813 2C 2dxz 0.001822 -0.001523 -0.002176 -0.000007 -0.000536 0.000582 2C 2dyz -0.000148 0.000095 -0.000109 -0.000029 -0.002139 0.002640 2C 2dx2y2 -0.000069 0.000001 -0.000152 0.000038 0.000570 -0.000620 2C 2dxy 0.001332 -0.001138 -0.001687 -0.000063 -0.000348 0.000454 2C 1f0 -0.000459 0.000445 0.000589 0.000010 -0.000837 0.000901 2C 1f+1 0.000442 -0.000438 -0.000579 -0.000012 -0.000497 0.000554 2C 1f-1 -0.000219 0.000221 0.000293 -0.000004 -0.001972 0.002138 2C 1f+2 0.000156 -0.000140 -0.000188 0.000002 0.002103 -0.002258 2C 1f-2 0.000667 -0.000658 -0.000841 -0.000010 -0.001962 0.002079 2C 1f+3 0.000257 -0.000254 -0.000355 -0.000001 0.001240 -0.001295 2C 1f-3 -0.000134 0.000124 0.000164 0.000000 0.000112 -0.000096 3C 1s 0.000089 0.000097 -0.000001 0.000131 0.044134 0.043176 3C 2s 0.000177 0.000201 -0.000003 0.000279 0.094577 0.092531 3C 3s -0.000190 -0.000359 0.000027 -0.000445 -0.144842 -0.141477 3C 4s -0.000707 -0.000107 -0.000129 -0.000313 -0.165459 -0.164130 3C 5s 0.004820 0.001650 -0.000585 0.001357 -0.030776 -0.016706 3C 1pz -0.001535 -0.001686 0.000063 -0.002312 -0.009374 -0.008870 3C 1px 0.004449 0.004900 -0.000186 0.006711 -0.004627 -0.004317 3C 1py 0.000973 0.001068 -0.000037 0.001467 0.013482 0.012640 3C 2pz -0.001448 -0.001511 0.000046 -0.001974 -0.007037 -0.007084 3C 2px 0.003796 0.003880 -0.000201 0.005263 -0.002910 -0.003052 3C 2py 0.000921 0.000943 -0.000031 0.001128 0.010035 0.010309 3C 3pz 0.000160 0.000001 -0.000052 -0.000214 -0.001433 0.000746 3C 3px 0.000935 0.000709 0.000011 0.001418 -0.002024 -0.000595 3C 3py -0.000474 -0.000101 0.000272 -0.000024 0.003016 -0.000669 3C 1dz2 -0.000246 -0.000267 0.000005 -0.000347 0.000241 0.000223 3C 1dxz 0.000296 0.000324 -0.000002 0.000434 -0.000403 -0.000399 3C 1dyz 0.000322 0.000353 -0.000012 0.000462 0.001193 0.001149 3C 1dx2y2 0.000457 0.000497 -0.000017 0.000636 0.000772 0.000754 3C 1dxy -0.000719 -0.000783 0.000035 -0.001003 0.000714 0.000692 3C 2dz2 -0.000552 -0.000534 0.000045 -0.000776 0.000289 0.000387 3C 2dxz 0.000908 0.000796 -0.000070 0.000983 -0.000969 -0.000989 3C 2dyz 0.000868 0.000775 -0.000036 0.000942 0.001388 0.001650 3C 2dx2y2 0.000980 0.000966 -0.000039 0.001371 0.001296 0.001410 3C 2dxy -0.001384 -0.001320 0.000041 -0.002009 0.001157 0.001272 3C 1f0 -0.000015 -0.000016 -0.000003 -0.000025 0.000170 0.000191 3C 1f+1 -0.000073 -0.000070 0.000004 -0.000105 -0.000344 -0.000346 3C 1f-1 0.000285 0.000316 -0.000011 0.000398 -0.000699 -0.000677 3C 1f+2 0.000406 0.000442 -0.000015 0.000597 0.002829 0.002793 3C 1f-2 -0.000370 -0.000421 0.000016 -0.000542 0.002162 0.002150 3C 1f+3 0.000405 0.000441 -0.000022 0.000563 -0.001023 -0.001041 3C 1f-3 0.000536 0.000576 -0.000022 0.000734 0.000209 0.000237 4C 1s 0.000313 -0.000282 -0.000388 -0.000007 0.016588 -0.016657 4C 2s 0.000656 -0.000590 -0.000818 -0.000015 0.035828 -0.035979 4C 3s -0.001133 0.000975 0.001369 0.000038 -0.059516 0.059478 4C 4s 0.000094 0.000320 0.000584 -0.000173 -0.058009 0.060061 4C 5s -0.002479 0.000752 -0.000584 -0.000738 -0.005628 0.015619 4C 1pz -0.027171 0.026680 0.037065 0.000508 0.056229 -0.059744 4C 1px 0.084601 -0.083155 -0.115530 -0.001555 0.011081 -0.011797 4C 1py 0.015442 -0.015183 -0.021106 -0.000275 0.037374 -0.039642 4C 2pz -0.010905 0.008677 0.012567 -0.000010 0.037797 -0.037867 4C 2px 0.035865 -0.028615 -0.041752 -0.000627 0.007892 -0.007702 4C 2py 0.006735 -0.005392 -0.007876 -0.000210 0.025229 -0.025144 4C 3pz 0.004016 -0.001134 0.001421 -0.000141 -0.002688 -0.004908 4C 3px -0.004090 0.002830 -0.002369 -0.000360 -0.001037 -0.000025 4C 3py 0.000958 0.000273 -0.000102 -0.000237 -0.001736 -0.002902 4C 1dz2 -0.003789 0.003636 0.005133 0.000083 -0.001692 0.001867 4C 1dxz 0.006483 -0.006212 -0.008752 -0.000142 -0.001119 0.001295 4C 1dyz -0.000232 0.000230 0.000330 -0.000017 -0.002194 0.002360 4C 1dx2y2 0.000431 -0.000432 -0.000611 -0.000033 0.001201 -0.001428 4C 1dxy 0.004909 -0.004712 -0.006641 -0.000047 -0.000265 0.000231 4C 2dz2 -0.002435 0.001152 0.001216 0.000054 -0.003345 0.003064 4C 2dxz 0.003539 -0.001473 -0.001607 0.000038 -0.002015 0.001783 4C 2dyz -0.000416 0.000273 0.000345 0.000066 -0.003556 0.003155 4C 2dx2y2 0.000661 -0.000360 -0.000358 -0.000046 0.002908 -0.002683 4C 2dxy 0.002974 -0.001319 -0.001406 -0.000060 0.000108 -0.000144 4C 1f0 0.000201 -0.000198 -0.000221 0.000016 0.000115 -0.000108 4C 1f+1 -0.000034 0.000063 0.000032 -0.000021 0.000149 -0.000127 4C 1f-1 -0.000441 0.000337 0.000462 -0.000012 0.001089 -0.001077 4C 1f+2 -0.000829 0.000677 0.000896 0.000001 -0.000423 0.000397 4C 1f-2 0.000588 -0.000421 -0.000636 0.000001 0.000429 -0.000424 4C 1f+3 -0.000853 0.000718 0.000932 0.000035 0.000149 -0.000145 4C 1f-3 -0.000930 0.000752 0.001015 0.000024 -0.000115 0.000134 5C 1s 0.000079 0.000080 0.000009 0.000101 0.017032 0.015860 5C 2s 0.000169 0.000171 0.000020 0.000219 0.036781 0.034252 5C 3s -0.000276 -0.000210 0.000031 -0.000217 -0.060488 -0.055976 5C 4s -0.000065 -0.000534 -0.000493 -0.001236 -0.062653 -0.060594 5C 5s -0.002550 -0.000601 -0.000716 -0.001382 -0.003454 -0.013004 5C 1pz -0.025393 -0.027624 0.001070 -0.037834 0.033808 0.033274 5C 1px 0.078877 0.085816 -0.003335 0.117589 0.021774 0.021445 5C 1py 0.014412 0.015676 -0.000606 0.021459 -0.057816 -0.056950 5C 2pz -0.010645 -0.009412 0.000313 -0.013447 0.022932 0.021296 5C 2px 0.033257 0.029318 -0.001231 0.041657 0.014712 0.013622 5C 2py 0.006212 0.005473 -0.000093 0.007880 -0.039443 -0.036635 5C 3pz 0.002338 0.001555 -0.000633 -0.000227 -0.002296 0.001710 5C 3px -0.003704 -0.003073 -0.000278 0.002609 -0.001909 0.000745 5C 3py -0.002140 -0.001241 0.000984 -0.000478 0.004200 -0.002927 5C 1dz2 -0.002162 -0.002288 0.000063 -0.003173 0.000218 0.000139 5C 1dxz 0.003136 0.003325 -0.000085 0.004612 -0.001137 -0.001227 5C 1dyz 0.002782 0.002957 -0.000118 0.004104 0.001866 0.001827 5C 1dx2y2 0.003592 0.003813 -0.000150 0.005300 0.002055 0.002168 5C 1dxy -0.005949 -0.006310 0.000279 -0.008757 0.001552 0.001582 5C 2dz2 -0.001132 -0.000496 0.000106 -0.000396 0.000063 0.000135 5C 2dxz 0.001723 0.000826 -0.000014 0.000870 -0.002223 -0.001808 5C 2dyz 0.001463 0.000649 0.000010 0.000634 0.002873 0.002428 5C 2dx2y2 0.001949 0.000849 -0.000114 0.000643 0.003843 0.003203 5C 2dxy -0.003293 -0.001518 0.000027 -0.001453 0.002896 0.002498 5C 1f0 0.000681 0.000613 -0.000041 0.000795 -0.000757 -0.000706 5C 1f+1 -0.000706 -0.000631 0.000051 -0.000828 -0.000087 -0.000092 5C 1f-1 0.000275 0.000214 0.000004 0.000305 -0.000050 -0.000041 5C 1f+2 -0.000333 -0.000345 0.000027 -0.000411 -0.000761 -0.000698 5C 1f-2 -0.000958 -0.000828 0.000014 -0.001128 -0.000596 -0.000537 5C 1f+3 -0.000594 -0.000573 0.000005 -0.000690 0.000584 0.000530 5C 1f-3 0.000020 -0.000038 -0.000014 -0.000001 -0.000170 -0.000144 6C 1s -0.000084 -0.000085 0.000013 0.000110 0.016897 0.015527 6C 2s -0.000179 -0.000180 0.000027 0.000238 0.036490 0.033531 6C 3s 0.000290 0.000230 0.000022 -0.000247 -0.060021 -0.054799 6C 4s 0.000092 0.000511 -0.000525 -0.001278 -0.062083 -0.059281 6C 5s 0.002611 0.000565 -0.000700 -0.001381 -0.003350 -0.012760 6C 1pz -0.025324 -0.027419 -0.000042 0.038106 -0.033518 -0.032524 6C 1px 0.078590 0.085101 0.000145 -0.118328 -0.021595 -0.020983 6C 1py 0.014347 0.015533 0.000022 -0.021576 0.057306 0.055720 6C 2pz -0.010630 -0.009332 0.000022 0.013543 -0.022745 -0.020811 6C 2px 0.033169 0.029069 0.000187 -0.041923 -0.014603 -0.013334 6C 2py 0.006196 0.005408 -0.000102 -0.007921 0.039110 0.035840 6C 3pz 0.002352 0.001590 0.000603 0.000222 0.002267 -0.001723 6C 3px -0.003706 -0.003086 0.000372 -0.002552 0.001902 -0.000788 6C 3py -0.002152 -0.001288 -0.000969 0.000468 -0.004197 0.003083 6C 1dz2 0.002154 0.002267 -0.000022 -0.003194 0.000217 0.000138 6C 1dxz -0.003123 -0.003293 0.000038 0.004638 -0.001128 -0.001201 6C 1dyz -0.002774 -0.002934 -0.000008 0.004132 0.001850 0.001786 6C 1dx2y2 -0.003578 -0.003778 -0.000009 0.005330 0.002034 0.002119 6C 1dxy 0.005930 0.006260 0.000046 -0.008814 0.001540 0.001549 6C 2dz2 0.001136 0.000503 0.000095 -0.000406 0.000067 0.000113 6C 2dxz -0.001729 -0.000822 0.000011 0.000887 -0.002196 -0.001766 6C 2dyz -0.001464 -0.000645 0.000027 0.000643 0.002848 0.002388 6C 2dx2y2 -0.001948 -0.000854 -0.000094 0.000652 0.003819 0.003121 6C 2dxy 0.003291 0.001500 -0.000016 -0.001464 0.002861 0.002426 6C 1f0 0.000679 0.000608 0.000019 -0.000801 0.000750 0.000690 6C 1f+1 -0.000703 -0.000627 -0.000029 0.000833 0.000087 0.000089 6C 1f-1 0.000275 0.000212 -0.000011 -0.000308 0.000051 0.000039 6C 1f+2 -0.000333 -0.000345 -0.000014 0.000415 0.000754 0.000685 6C 1f-2 -0.000956 -0.000820 0.000016 0.001136 0.000593 0.000527 6C 1f+3 -0.000593 -0.000569 0.000016 0.000696 -0.000579 -0.000520 6C 1f-3 0.000020 -0.000037 0.000016 0.000001 0.000170 0.000143 7C 1s -0.000320 0.000273 -0.000419 -0.000008 0.016287 -0.015909 7C 2s -0.000670 0.000571 -0.000882 -0.000017 0.035179 -0.034364 7C 3s 0.001159 -0.000944 0.001476 0.000043 -0.058437 0.056795 7C 4s -0.000096 -0.000307 0.000625 -0.000181 -0.056932 0.057376 7C 5s 0.002521 -0.000772 -0.000529 -0.000734 -0.005364 0.015061 7C 1pz -0.026731 0.024855 -0.038580 -0.000620 -0.055030 0.056863 7C 1px 0.083283 -0.077521 0.120336 0.001906 -0.010786 0.011163 7C 1py 0.015176 -0.014131 0.021948 0.000339 -0.036810 0.037990 7C 2pz -0.010765 0.008060 -0.013094 -0.000025 -0.037007 0.036025 7C 2px 0.035427 -0.026577 0.043503 0.000739 -0.007694 0.007280 7C 2py 0.006648 -0.005001 0.008196 0.000231 -0.024841 0.024069 7C 3pz 0.004034 -0.001215 -0.001311 0.000141 0.002719 0.004959 7C 3px -0.004133 0.002957 0.002161 0.000362 0.001082 -0.000036 7C 3py 0.000970 0.000267 0.000101 0.000241 0.001752 0.003024 7C 1dz2 0.003721 -0.003377 0.005330 0.000098 -0.001646 0.001766 7C 1dxz -0.006379 0.005780 -0.009105 -0.000168 -0.001088 0.001226 7C 1dyz 0.000235 -0.000220 0.000353 -0.000016 -0.002158 0.002259 7C 1dx2y2 -0.000414 0.000393 -0.000622 -0.000035 0.001185 -0.001370 7C 1dxy -0.004844 0.004398 -0.006930 -0.000067 -0.000261 0.000221 7C 2dz2 0.002426 -0.001090 0.001301 0.000056 -0.003246 0.002891 7C 2dxz -0.003528 0.001391 -0.001723 0.000037 -0.001957 0.001673 7C 2dyz 0.000420 -0.000257 0.000367 0.000065 -0.003500 0.003009 7C 2dx2y2 -0.000658 0.000343 -0.000381 -0.000048 0.002831 -0.002512 7C 2dxy -0.002977 0.001253 -0.001514 -0.000063 0.000084 -0.000111 7C 1f0 0.000202 -0.000190 0.000238 -0.000016 -0.000108 0.000099 7C 1f+1 -0.000037 0.000064 -0.000039 0.000020 -0.000147 0.000127 7C 1f-1 -0.000438 0.000316 -0.000484 0.000011 -0.001070 0.001030 7C 1f+2 -0.000821 0.000635 -0.000940 -0.000004 0.000425 -0.000393 7C 1f-2 0.000583 -0.000391 0.000665 0.000000 -0.000421 0.000403 7C 1f+3 -0.000841 0.000671 -0.000973 -0.000038 -0.000149 0.000141 7C 1f-3 -0.000918 0.000701 -0.001059 -0.000027 0.000106 -0.000118 8C 1s -0.000091 -0.000099 0.000003 0.000137 0.043755 0.042237 8C 2s -0.000182 -0.000206 0.000005 0.000291 0.093764 0.090519 8C 3s 0.000195 0.000367 0.000012 -0.000462 -0.143596 -0.138403 8C 4s 0.000729 0.000102 -0.000128 -0.000327 -0.164028 -0.160543 8C 5s -0.004901 -0.001679 -0.000589 0.001315 -0.030585 -0.016183 8C 1pz -0.001533 -0.001676 0.000000 0.002333 0.009289 0.008676 8C 1px 0.004431 0.004857 0.000004 -0.006751 0.004573 0.004210 8C 1py 0.000973 0.001063 -0.000003 -0.001482 -0.013389 -0.012385 8C 2pz -0.001445 -0.001498 0.000011 0.001988 0.006969 0.006934 8C 2px 0.003781 0.003850 0.000057 -0.005296 0.002888 0.002994 8C 2py 0.000922 0.000935 -0.000005 -0.001137 -0.009973 -0.010101 8C 3pz 0.000160 0.000000 0.000053 0.000228 0.001441 -0.000777 8C 3px 0.000942 0.000704 -0.000025 -0.001433 0.001968 0.000506 8C 3py -0.000481 -0.000112 -0.000280 0.000011 -0.003030 0.000653 8C 1dz2 0.000246 0.000266 -0.000005 -0.000351 0.000239 0.000216 8C 1dxz -0.000295 -0.000321 0.000010 0.000437 -0.000400 -0.000391 8C 1dyz -0.000321 -0.000350 0.000001 0.000465 0.001183 0.001123 8C 1dx2y2 -0.000457 -0.000494 0.000001 0.000642 0.000763 0.000736 8C 1dxy 0.000715 0.000776 0.000005 -0.001008 0.000707 0.000676 8C 2dz2 0.000547 0.000529 0.000026 -0.000782 0.000285 0.000377 8C 2dxz -0.000904 -0.000791 -0.000043 0.000990 -0.000949 -0.000956 8C 2dyz -0.000871 -0.000772 -0.000009 0.000950 0.001390 0.001635 8C 2dx2y2 -0.000974 -0.000955 -0.000004 0.001377 0.001294 0.001387 8C 2dxy 0.001383 0.001310 -0.000006 -0.002024 0.001144 0.001240 8C 1f0 -0.000016 -0.000015 0.000004 0.000026 -0.000161 -0.000180 8C 1f+1 -0.000074 -0.000071 -0.000002 0.000107 0.000308 0.000308 8C 1f-1 0.000284 0.000314 -0.000000 -0.000401 0.000686 0.000654 8C 1f+2 0.000405 0.000439 -0.000002 -0.000601 -0.002795 -0.002724 8C 1f-2 -0.000369 -0.000418 -0.000000 0.000544 -0.002168 -0.002127 8C 1f+3 0.000403 0.000438 0.000005 -0.000567 0.000999 0.001004 8C 1f-3 0.000535 0.000571 0.000000 -0.000739 -0.000222 -0.000246 9C 1s -0.000142 0.000129 -0.000200 -0.000003 0.042031 -0.043123 9C 2s -0.000284 0.000266 -0.000421 -0.000008 0.090044 -0.092391 9C 3s 0.000368 -0.000449 0.000662 0.000055 -0.137255 0.140571 9C 4s 0.000516 0.000054 0.000084 -0.000251 -0.159960 0.166530 9C 5s -0.007154 0.001520 0.000984 0.000280 -0.025302 0.011982 9C 1pz -0.001749 0.001627 -0.002528 -0.000040 0.013317 -0.013115 9C 1px 0.004703 -0.004438 0.006877 0.000106 0.001518 -0.001431 9C 1py 0.000714 -0.000684 0.001057 0.000012 0.009236 -0.009122 9C 2pz -0.001195 0.001173 -0.001646 0.000052 0.010109 -0.010950 9C 2px 0.004229 -0.003651 0.005661 0.000134 0.000896 -0.001120 9C 2py 0.000859 -0.000689 0.001137 0.000106 0.006873 -0.007402 9C 3pz 0.000738 -0.000012 -0.000602 0.000140 0.002378 0.001228 9C 3px 0.000924 -0.000617 0.001371 -0.000131 0.000971 -0.000121 9C 3py 0.000873 -0.000251 0.000149 -0.000148 0.002332 0.000138 9C 1dz2 0.000469 -0.000439 0.000636 0.000012 -0.000739 0.000749 9C 1dxz -0.000725 0.000676 -0.000991 -0.000021 -0.000316 0.000327 9C 1dyz 0.000013 -0.000014 0.000033 -0.000006 -0.001169 0.001181 9C 1dx2y2 -0.000127 0.000119 -0.000156 -0.000009 0.000354 -0.000375 9C 1dxy -0.000562 0.000524 -0.000763 -0.000004 -0.000263 0.000259 9C 2dz2 0.000970 -0.000818 0.001282 -0.000019 -0.001464 0.001735 9C 2dxz -0.001802 0.001418 -0.002265 -0.000011 -0.000539 0.000559 9C 2dyz 0.000152 -0.000105 -0.000098 -0.000028 -0.002103 0.002537 9C 2dx2y2 0.000069 -0.000008 -0.000150 0.000038 0.000578 -0.000608 9C 2dxy -0.001311 0.001055 -0.001762 -0.000067 -0.000324 0.000419 9C 1f0 -0.000449 0.000413 -0.000611 -0.000012 0.000810 -0.000850 9C 1f+1 0.000433 -0.000408 0.000602 0.000014 0.000494 -0.000536 9C 1f-1 -0.000218 0.000209 -0.000308 0.000002 0.001916 -0.002022 9C 1f+2 0.000151 -0.000128 0.000195 -0.000001 -0.002114 0.002207 9C 1f-2 0.000660 -0.000619 0.000882 0.000013 0.001898 -0.001956 9C 1f+3 0.000256 -0.000239 0.000373 0.000002 -0.001189 0.001208 9C 1f-3 -0.000132 0.000117 -0.000170 -0.000001 -0.000165 0.000147 10H 1s 0.001406 -0.001419 -0.001952 -0.000027 -0.033910 0.035870 10H 2s 0.001679 -0.001327 -0.001918 -0.000014 -0.035663 0.037975 10H 3s -0.000892 -0.000330 -0.000060 -0.000203 -0.004735 0.005651 10H 1pz 0.000308 -0.000300 -0.000401 -0.000007 -0.002836 0.002960 10H 1px -0.000104 0.000065 0.000146 -0.000005 0.003983 -0.004203 10H 1py 0.000210 -0.000215 -0.000287 0.000005 -0.000989 0.001016 11H 1s -0.000555 0.000580 0.000829 0.000002 -0.034845 0.036895 11H 2s -0.001121 0.000886 0.000724 0.000002 -0.036932 0.039515 11H 3s -0.000978 0.000400 -0.000120 -0.000184 -0.005566 0.006414 11H 1pz -0.000248 0.000246 0.000256 -0.000002 -0.003405 0.003571 11H 1px 0.000016 -0.000024 -0.000076 0.000003 -0.003281 0.003489 11H 1py 0.000080 -0.000079 -0.000110 0.000004 0.002054 -0.002210 12H 1s -0.000986 0.001018 0.001437 0.000033 -0.034549 0.036567 12H 2s -0.001696 0.001351 0.001349 -0.000003 -0.036565 0.039067 12H 3s -0.000857 0.000512 -0.000159 0.000134 -0.005978 0.006887 12H 1pz -0.000092 0.000097 0.000083 0.000000 0.000813 -0.000902 12H 1px 0.000015 -0.000027 -0.000077 -0.000001 -0.002146 0.002283 12H 1py -0.000345 0.000334 0.000384 0.000005 -0.004556 0.004798 13H 1s 0.001282 0.001432 -0.000064 0.001955 -0.035001 -0.034340 13H 2s 0.001503 0.001287 -0.000027 0.001780 -0.037624 -0.037173 13H 3s -0.000687 0.000383 -0.000152 -0.000092 -0.003842 -0.004346 13H 1pz 0.000253 0.000261 -0.000001 0.000377 -0.003577 -0.003477 13H 1px 0.000009 0.000051 -0.000001 0.000021 0.003412 0.003354 13H 1py -0.000248 -0.000274 0.000013 -0.000342 0.002069 0.001997 14H 1s -0.001008 -0.001149 0.000057 -0.001597 -0.035413 -0.034757 14H 2s -0.001743 -0.001605 0.000037 -0.001683 -0.037417 -0.037047 14H 3s -0.000575 -0.000507 0.000149 -0.000028 -0.005451 -0.005878 14H 1pz -0.000318 -0.000357 0.000010 -0.000438 -0.002754 -0.002670 14H 1px -0.000177 -0.000181 0.000008 -0.000185 -0.004464 -0.004378 14H 1py 0.000102 0.000120 -0.000002 0.000105 -0.000515 -0.000540 15H 1s -0.000362 -0.000416 0.000009 -0.000594 -0.036047 -0.035395 15H 2s -0.000733 -0.000660 0.000041 -0.000488 -0.038256 -0.037938 15H 3s -0.000690 -0.000388 -0.000125 -0.000118 -0.005563 -0.005948 15H 1pz 0.000019 0.000016 -0.000003 0.000014 0.003222 0.003201 15H 1px 0.000113 0.000132 0.000004 0.000192 -0.001058 -0.001034 15H 1py 0.000171 0.000191 -0.000003 0.000180 0.004254 0.004148 16H 1s -0.002246 -0.000124 0.000184 0.000393 -0.000322 -0.000176 16H 2s -0.001904 -0.000534 0.000970 0.000506 -0.000363 -0.000572 16H 3s 0.000048 -0.000554 -0.000780 0.000163 0.000294 -0.000517 16H 1pz -0.000385 -0.000043 0.000169 0.000133 -0.000058 -0.000061 16H 1px -0.000066 0.000113 0.000144 0.000009 -0.000065 0.000079 16H 1py -0.000131 0.000017 0.000100 -0.000011 -0.000033 0.000001 17H 1s -0.002288 0.000078 0.000488 0.000151 -0.000376 0.000188 17H 2s -0.001989 0.000403 0.000492 0.000889 -0.000441 0.000269 17H 3s -0.000021 0.000359 0.000245 -0.000740 0.000307 0.000550 17H 1pz 0.000285 0.000013 -0.000121 -0.000160 0.000071 0.000016 17H 1px 0.000207 -0.000098 -0.000105 0.000027 -0.000013 -0.000068 17H 1py -0.000186 -0.000017 0.000023 0.000099 -0.000048 -0.000007 18H 1s 0.002289 -0.000054 0.000509 0.000154 -0.000372 0.000182 18H 2s 0.001986 -0.000351 0.000531 0.000871 -0.000442 0.000253 18H 3s 0.000019 -0.000342 0.000285 -0.000735 0.000309 0.000544 18H 1pz 0.000290 0.000018 0.000124 0.000158 -0.000073 -0.000014 18H 1px 0.000205 -0.000089 0.000116 -0.000029 0.000013 0.000065 18H 1py -0.000178 -0.000021 -0.000022 -0.000093 0.000047 0.000012 19H 1s 0.002249 0.000132 0.000190 0.000388 -0.000327 -0.000167 19H 2s 0.001904 0.000595 0.000960 0.000491 -0.000372 -0.000567 19H 3s -0.000034 0.000520 -0.000808 0.000136 0.000282 -0.000491 19H 1pz -0.000382 -0.000051 -0.000168 -0.000127 0.000058 0.000059 19H 1px -0.000061 0.000107 -0.000149 -0.000012 0.000064 -0.000078 19H 1py -0.000139 0.000009 -0.000106 0.000009 0.000034 0.000003 20H 1s 0.000372 0.000425 -0.000007 -0.000617 -0.035734 -0.034624 20H 2s 0.000751 0.000675 0.000019 -0.000508 -0.037930 -0.037119 20H 3s 0.000702 0.000387 -0.000138 -0.000113 -0.005515 -0.005830 20H 1pz 0.000021 0.000018 0.000003 -0.000017 -0.003199 -0.003137 20H 1px 0.000111 0.000128 -0.000009 -0.000191 0.001087 0.001049 20H 1py 0.000174 0.000194 -0.000004 -0.000186 -0.004207 -0.004046 21H 1s 0.000997 0.001133 0.000014 -0.001598 -0.035113 -0.034006 21H 2s 0.001732 0.001587 -0.000018 -0.001683 -0.037115 -0.036261 21H 3s 0.000585 0.000512 0.000132 -0.000021 -0.005360 -0.005698 21H 1pz -0.000317 -0.000354 0.000003 0.000440 0.002758 0.002638 21H 1px -0.000173 -0.000177 -0.000002 0.000182 0.004412 0.004271 21H 1py 0.000100 0.000118 -0.000002 -0.000104 0.000522 0.000540 22H 1s -0.001279 -0.001422 -0.000010 0.001969 -0.034694 -0.033586 22H 2s -0.001502 -0.001277 0.000015 0.001801 -0.037281 -0.036345 22H 3s 0.000709 -0.000383 -0.000120 -0.000097 -0.003848 -0.004297 22H 1pz 0.000252 0.000257 -0.000008 -0.000379 0.003521 0.003376 22H 1px 0.000007 0.000050 -0.000001 -0.000019 -0.003393 -0.003289 22H 1py -0.000248 -0.000274 -0.000003 0.000348 -0.002071 -0.001973 23H 1s 0.000955 -0.000934 0.001474 0.000037 -0.033899 0.034898 23H 2s 0.001665 -0.001276 0.001409 0.000001 -0.035868 0.037282 23H 3s 0.000887 -0.000517 -0.000120 0.000139 -0.005864 0.006586 23H 1pz -0.000088 0.000090 -0.000085 -0.000000 -0.000817 0.000883 23H 1px 0.000020 -0.000028 0.000086 0.000001 0.002039 -0.002112 23H 1py -0.000339 0.000314 -0.000398 -0.000007 0.004496 -0.004606 24H 1s 0.000565 -0.000559 0.000892 0.000005 -0.034159 0.035178 24H 2s 0.001148 -0.000878 0.000810 0.000006 -0.036201 0.037689 24H 3s 0.000997 -0.000416 -0.000087 -0.000186 -0.005414 0.006062 24H 1pz -0.000251 0.000240 -0.000278 0.000000 0.003323 -0.003390 24H 1px 0.000009 -0.000015 0.000070 -0.000003 0.003265 -0.003380 24H 1py 0.000079 -0.000073 0.000115 -0.000004 -0.001974 0.002067 25H 1s -0.001386 0.001326 -0.002037 -0.000033 -0.033267 0.034224 25H 2s -0.001653 0.001230 -0.001999 -0.000019 -0.034985 0.036225 25H 3s 0.000914 0.000321 -0.000056 -0.000202 -0.004668 0.005471 25H 1pz 0.000305 -0.000282 0.000422 0.000008 0.002804 -0.002845 25H 1px -0.000102 0.000057 -0.000149 0.000005 -0.003900 0.004001 25H 1py 0.000203 -0.000199 0.000295 -0.000004 0.000932 -0.000930 26O 1s -0.036260 0.035143 0.048559 0.000655 -0.008939 0.009688 26O 2s -0.085974 0.083352 0.115153 0.001553 -0.021343 0.023150 26O 3s 0.124868 -0.121197 -0.167297 -0.002254 0.032142 -0.035078 26O 4s 0.169235 -0.164025 -0.226174 -0.003079 0.043792 -0.046767 26O 5s 0.057600 -0.065408 -0.095046 -0.000784 0.021987 -0.026557 26O 1pz -0.001956 0.002458 0.004402 -0.000296 0.018264 -0.018307 26O 1px -0.028805 0.028313 0.039606 0.000313 0.005833 -0.004878 26O 1py -0.011929 0.012052 0.017447 0.000806 0.013114 -0.012703 26O 2pz 0.000467 0.000599 0.001125 -0.000355 0.016495 -0.016262 26O 2px -0.024212 0.025414 0.035745 0.000248 0.004709 -0.003565 26O 2py -0.008566 0.009715 0.013847 0.000772 0.011804 -0.011138 26O 3pz -0.004263 0.001739 -0.004148 -0.000563 0.004029 -0.003407 26O 3px -0.000929 0.005219 0.003053 -0.000592 0.002198 -0.000214 26O 3py -0.003160 0.003127 -0.001448 0.000634 0.003024 -0.002090 26O 1dz2 -0.000870 0.000849 0.001289 -0.000013 0.000053 -0.000032 26O 1dxz 0.000534 -0.000546 -0.000705 -0.000012 -0.000596 0.000592 26O 1dyz 0.000243 -0.000246 -0.000154 0.000017 -0.000290 0.000271 26O 1dx2y2 0.001023 -0.000991 -0.001430 -0.000029 0.000136 -0.000177 26O 1dxy 0.001333 -0.001315 -0.001783 -0.000040 -0.000357 0.000307 26O 2dz2 -0.001844 0.002051 0.002475 -0.000043 0.000282 -0.000127 26O 2dxz 0.002189 -0.001994 -0.003027 -0.000100 -0.001870 0.002042 26O 2dyz 0.001532 -0.001604 -0.002758 -0.000001 -0.000453 0.000494 26O 2dx2y2 0.001950 -0.002376 -0.002977 -0.000109 0.000543 -0.000823 26O 2dxy 0.003576 -0.003841 -0.005384 -0.000045 -0.000989 0.000882 26O 1f0 0.000386 -0.000392 -0.000538 0.000000 -0.000299 0.000301 26O 1f+1 0.000642 -0.000651 -0.000899 -0.000017 0.000222 -0.000250 26O 1f-1 0.000526 -0.000572 -0.000752 -0.000011 0.000123 -0.000181 26O 1f+2 -0.000503 0.000519 0.000712 0.000011 0.000153 -0.000141 26O 1f-2 -0.000163 0.000158 0.000220 0.000010 0.000438 -0.000457 26O 1f+3 0.000087 -0.000099 -0.000127 -0.000001 0.000300 -0.000329 26O 1f-3 0.000797 -0.000815 -0.001117 -0.000010 -0.000079 0.000054 27O 1s -0.033906 -0.036358 0.001421 -0.049506 -0.009250 -0.009296 27O 2s -0.080373 -0.086215 0.003367 -0.117375 -0.022078 -0.022207 27O 3s 0.116534 0.125188 -0.004875 0.170276 0.033108 0.033546 27O 4s 0.159046 0.170324 -0.006744 0.231598 0.046059 0.045418 27O 5s 0.053229 0.067423 -0.001806 0.096704 0.023261 0.026637 27O 1pz 0.002261 0.002124 0.000496 0.002262 0.010881 0.010185 27O 1px -0.028902 -0.031514 0.001358 -0.043659 0.009204 0.007544 27O 1py 0.005248 0.006241 0.000129 0.009596 -0.018917 -0.017441 27O 2pz 0.003137 0.002942 0.000463 0.003812 0.009936 0.009155 27O 2px -0.024018 -0.028093 0.001165 -0.039141 0.007368 0.005513 27O 2py 0.002511 0.004002 0.000261 0.005905 -0.016873 -0.015245 27O 3pz -0.002813 -0.000790 0.000955 0.002800 0.002096 0.001997 27O 3px -0.002410 -0.006417 0.000019 -0.003762 0.002143 0.000250 27O 3py 0.004427 0.002864 0.000388 -0.002904 -0.004225 -0.003574 27O 1dz2 -0.000864 -0.000939 0.000072 -0.001256 0.000218 0.000164 27O 1dxz -0.000011 0.000005 -0.000002 -0.000054 -0.000398 -0.000377 27O 1dyz -0.000019 -0.000022 -0.000011 0.000140 0.000013 -0.000004 27O 1dx2y2 0.001340 0.001444 -0.000043 0.002083 -0.000019 0.000033 27O 1dxy -0.000859 -0.000953 0.000027 -0.001203 0.000661 0.000592 27O 2dz2 -0.002516 -0.003058 0.000169 -0.004213 0.000223 0.000076 27O 2dxz 0.000723 0.000573 0.000042 0.001041 -0.001211 -0.001284 27O 2dyz -0.000423 -0.000600 -0.000034 -0.001265 -0.000292 -0.000296 27O 2dx2y2 0.002911 0.003681 -0.000059 0.004633 0.000139 0.000398 27O 2dxy -0.003095 -0.003398 0.000156 -0.004996 0.001880 0.001824 27O 1f0 -0.000044 -0.000079 -0.000001 -0.000085 -0.000271 -0.000291 27O 1f+1 0.000639 0.000718 -0.000019 0.000973 -0.000016 0.000005 27O 1f-1 -0.000215 -0.000249 0.000017 -0.000329 0.000115 0.000097 27O 1f+2 -0.000288 -0.000339 0.000009 -0.000442 0.000150 0.000119 27O 1f-2 -0.000246 -0.000286 0.000009 -0.000388 -0.000201 -0.000205 27O 1f+3 0.000644 0.000744 -0.000032 0.001000 0.000376 0.000401 27O 1f-3 -0.000735 -0.000830 0.000031 -0.001127 0.000401 0.000365 28O 1s 0.036576 -0.035401 -0.048916 -0.000661 -0.009236 0.009999 28O 2s 0.086708 -0.083944 -0.115975 -0.001567 -0.022042 0.023882 28O 3s -0.125762 0.121880 0.168273 0.002265 0.033028 -0.036016 28O 4s -0.171110 0.165596 0.228255 0.003125 0.046032 -0.049083 28O 5s -0.058931 0.066125 0.095344 0.001420 0.022294 -0.026852 28O 1pz 0.019543 -0.019652 -0.028317 -0.000033 0.019610 -0.019079 28O 1px -0.025253 0.024581 0.034025 0.000681 0.001728 -0.002623 28O 1py 0.002181 -0.002520 -0.004167 -0.000617 0.012431 -0.012340 28O 2pz 0.014833 -0.016382 -0.023267 0.000015 0.017125 -0.016201 28O 2px -0.022005 0.022678 0.031654 0.000638 0.002268 -0.003256 28O 2py 0.000518 -0.001228 -0.001893 -0.000599 0.011203 -0.010886 28O 3pz 0.005375 -0.005134 0.001301 0.000459 0.005218 -0.004419 28O 3px -0.000436 0.004241 0.004784 0.000632 -0.000076 -0.001085 28O 3py 0.003048 -0.001423 0.002576 -0.000754 0.002968 -0.002925 28O 1dz2 -0.000433 0.000437 0.000496 0.000025 -0.000477 0.000466 28O 1dxz 0.001694 -0.001661 -0.002356 -0.000014 0.000319 -0.000261 28O 1dyz -0.000293 0.000295 0.000227 -0.000004 -0.000326 0.000302 28O 1dx2y2 -0.000868 0.000839 0.001215 0.000041 0.000205 -0.000249 28O 1dxy 0.000313 -0.000318 -0.000481 -0.000019 0.000341 -0.000343 28O 2dz2 -0.001903 0.001814 0.002873 0.000139 -0.001502 0.001643 28O 2dxz 0.004330 -0.004663 -0.006203 -0.000065 0.000882 -0.000725 28O 2dyz -0.001857 0.001921 0.003170 -0.000006 -0.000526 0.000579 28O 2dx2y2 -0.001537 0.001921 0.002372 0.000085 0.000867 -0.001126 28O 2dxy 0.001275 -0.001131 -0.001517 0.000014 0.001152 -0.001244 28O 1f0 -0.000310 0.000317 0.000437 0.000009 0.000294 -0.000318 28O 1f+1 -0.000832 0.000843 0.001155 0.000013 -0.000343 0.000338 28O 1f-1 -0.000186 0.000220 0.000282 0.000002 0.000312 -0.000359 28O 1f+2 0.000853 -0.000886 -0.001202 -0.000022 -0.000210 0.000260 28O 1f-2 -0.000412 0.000430 0.000572 0.000007 -0.000256 0.000239 28O 1f+3 0.000188 -0.000190 -0.000261 0.000007 -0.000230 0.000246 28O 1f-3 -0.000312 0.000307 0.000434 0.000005 -0.000124 0.000132 29O 1s 0.002459 0.000013 -0.000462 -0.000398 0.000314 -0.000013 29O 2s 0.005796 0.000028 -0.001099 -0.000945 0.000756 -0.000033 29O 3s -0.007923 -0.000010 0.001661 0.001382 -0.001183 0.000069 29O 4s -0.014651 -0.000222 0.002077 0.001981 -0.001982 -0.000027 29O 5s 0.004408 0.000381 0.000146 -0.000173 0.001168 0.000373 29O 1pz 0.000611 0.000127 0.000228 -0.000313 0.000297 0.000272 29O 1px -0.001367 0.000027 0.000312 0.000072 -0.000939 0.000114 29O 1py 0.001620 0.000014 -0.000129 0.000011 0.000244 -0.000014 29O 2pz 0.000479 0.000102 0.000266 -0.000226 0.000323 0.000218 29O 2px -0.001101 0.000007 0.000159 -0.000092 -0.001050 0.000143 29O 2py 0.001432 0.000024 -0.000109 -0.000035 0.000156 -0.000013 29O 3pz 0.001260 -0.000563 0.001221 -0.000817 0.000528 -0.000516 29O 3px -0.003622 -0.000279 0.000402 -0.000211 -0.001386 -0.000198 29O 3py -0.000713 0.000012 0.001035 0.001453 -0.000158 -0.000152 29O 1dz2 -0.000052 -0.000007 -0.000001 0.000019 0.000001 -0.000011 29O 1dxz -0.000017 0.000001 0.000032 -0.000004 0.000015 0.000000 29O 1dyz -0.000014 -0.000022 0.000005 -0.000009 -0.000000 -0.000028 29O 1dx2y2 -0.000029 -0.000003 -0.000001 -0.000016 -0.000028 0.000000 29O 1dxy 0.000073 -0.000008 0.000003 0.000010 0.000012 -0.000014 29O 2dz2 -0.000216 0.000007 0.000069 -0.000032 -0.000102 0.000020 29O 2dxz -0.000239 -0.000019 -0.000162 0.000065 -0.000139 0.000008 29O 2dyz -0.000076 0.000026 -0.000085 0.000149 -0.000042 0.000020 29O 2dx2y2 0.000269 -0.000001 0.000009 0.000124 0.000183 -0.000015 29O 2dxy 0.000255 0.000011 -0.000172 -0.000156 0.000132 0.000005 29O 1f0 0.000065 -0.000004 -0.000003 -0.000002 0.000012 -0.000005 29O 1f+1 -0.000025 -0.000007 -0.000014 0.000012 -0.000006 -0.000002 29O 1f-1 0.000075 -0.000005 -0.000001 -0.000009 0.000012 -0.000007 29O 1f+2 -0.000035 0.000006 0.000017 -0.000006 -0.000004 0.000005 29O 1f-2 0.000046 0.000009 -0.000015 -0.000006 0.000008 0.000005 29O 1f+3 -0.000031 -0.000006 -0.000001 0.000010 -0.000001 -0.000003 29O 1f-3 -0.000028 -0.000006 -0.000006 -0.000017 -0.000007 -0.000003 30O 1s 0.034064 0.036521 -0.001402 0.049713 -0.009475 -0.009518 30O 2s 0.080756 0.086602 -0.003325 0.117872 -0.022612 -0.022733 30O 3s -0.117139 -0.125728 0.004825 -0.171050 0.033852 0.034283 30O 4s -0.159342 -0.171004 0.006503 -0.232015 0.047289 0.046623 30O 5s -0.054699 -0.067597 0.003455 -0.097294 0.023234 0.026462 30O 1pz 0.014024 0.015505 -0.001176 0.021935 0.012363 0.011021 30O 1px -0.021540 -0.023118 0.000774 -0.031317 0.005190 0.005589 30O 1py -0.014525 -0.016294 0.000244 -0.023373 -0.019919 -0.018069 30O 2pz 0.010889 0.013121 -0.001098 0.018398 0.010658 0.009155 30O 2px -0.019310 -0.021773 0.000742 -0.030027 0.005414 0.005807 30O 2py -0.010524 -0.013123 0.000126 -0.018563 -0.017351 -0.015310 30O 3pz 0.002423 0.003695 -0.001046 -0.000743 0.003284 0.002312 30O 3px 0.000858 -0.003550 0.000367 -0.005116 0.000713 0.001992 30O 3py -0.004237 -0.004740 -0.000446 0.002279 -0.005210 -0.003849 30O 1dz2 0.000143 0.000148 -0.000020 0.000174 -0.000117 -0.000126 30O 1dxz 0.001108 0.001194 -0.000072 0.001694 0.000052 0.000010 30O 1dyz 0.000940 0.001037 -0.000022 0.001250 0.000464 0.000388 30O 1dx2y2 -0.000119 -0.000106 -0.000013 -0.000256 0.000553 0.000529 30O 1dxy -0.001168 -0.001270 0.000038 -0.001841 -0.000276 -0.000224 30O 2dz2 0.000390 0.000645 -0.000139 0.000894 -0.000759 -0.000818 30O 2dxz 0.002350 0.002915 -0.000132 0.003722 0.000185 -0.000009 30O 2dyz 0.003274 0.003798 -0.000125 0.005637 0.000947 0.000838 30O 2dx2y2 0.000668 0.000385 -0.000078 0.000983 0.001748 0.001878 30O 2dxy -0.002841 -0.003333 0.000138 -0.004201 -0.000918 -0.000749 30O 1f0 -0.000278 -0.000293 0.000005 -0.000408 -0.000059 -0.000064 30O 1f+1 -0.000226 -0.000245 0.000011 -0.000343 -0.000121 -0.000122 30O 1f-1 -0.000041 -0.000046 -0.000000 -0.000064 -0.000210 -0.000204 30O 1f+2 0.000248 0.000304 -0.000006 0.000395 -0.000521 -0.000535 30O 1f-2 0.000869 0.001002 -0.000044 0.001339 0.000119 0.000067 30O 1f+3 -0.000564 -0.000642 0.000019 -0.000865 -0.000311 -0.000278 30O 1f-3 0.000488 0.000552 -0.000025 0.000755 -0.000279 -0.000285 31O 1s -0.033951 -0.036227 -0.000049 0.050041 -0.009395 -0.009317 31O 2s -0.080487 -0.085905 -0.000116 0.118650 -0.022421 -0.022254 31O 3s 0.116747 0.124713 0.000164 -0.172177 0.033562 0.033554 31O 4s 0.158808 0.169635 0.000162 -0.233552 0.046920 0.045692 31O 5s 0.054464 0.067060 0.000901 -0.097888 0.022964 0.025762 31O 1pz 0.013977 0.015412 0.000595 -0.022088 -0.012290 -0.010773 31O 1px -0.021466 -0.022924 0.000083 0.031521 -0.005136 -0.005448 31O 1py -0.014467 -0.016125 0.000366 0.023504 0.019772 0.017741 31O 2pz 0.010852 0.013054 0.000598 -0.018532 -0.010592 -0.008936 31O 2px -0.019239 -0.021590 0.000072 0.030217 -0.005364 -0.005671 31O 2py -0.010474 -0.012985 0.000374 0.018663 0.017223 0.015024 31O 3pz 0.002409 0.003768 0.000903 0.000697 -0.003252 -0.002232 31O 3px 0.000891 -0.003529 -0.000208 0.005132 -0.000672 -0.001899 31O 3py -0.004223 -0.004724 0.000619 -0.002261 0.005159 0.003703 31O 1dz2 -0.000142 -0.000147 -0.000014 0.000174 -0.000116 -0.000124 31O 1dxz -0.001104 -0.001186 -0.000027 0.001706 0.000052 0.000009 31O 1dyz -0.000937 -0.001029 0.000016 0.001259 0.000459 0.000378 31O 1dx2y2 0.000119 0.000104 -0.000016 -0.000257 0.000548 0.000515 31O 1dxy 0.001165 0.001259 -0.000009 -0.001853 -0.000274 -0.000221 31O 2dz2 -0.000385 -0.000644 -0.000113 0.000898 -0.000752 -0.000803 31O 2dxz -0.002339 -0.002895 -0.000021 0.003749 0.000185 -0.000010 31O 2dyz -0.003262 -0.003765 0.000017 0.005671 0.000943 0.000827 31O 2dx2y2 -0.000664 -0.000380 -0.000067 0.000984 0.001734 0.001841 31O 2dxy 0.002830 0.003310 0.000013 -0.004231 -0.000911 -0.000732 31O 1f0 -0.000277 -0.000290 0.000006 0.000410 0.000058 0.000063 31O 1f+1 -0.000226 -0.000243 -0.000002 0.000345 0.000120 0.000119 31O 1f-1 -0.000041 -0.000046 0.000002 0.000065 0.000209 0.000199 31O 1f+2 0.000248 0.000301 -0.000006 -0.000398 0.000517 0.000524 31O 1f-2 0.000866 0.000995 0.000006 -0.001348 -0.000119 -0.000065 31O 1f+3 -0.000561 -0.000636 0.000005 0.000870 0.000309 0.000272 31O 1f-3 0.000486 0.000548 0.000004 -0.000760 0.000276 0.000278 32O 1s -0.002460 -0.000036 -0.000476 -0.000397 0.000313 -0.000010 32O 2s -0.005798 -0.000082 -0.001133 -0.000942 0.000754 -0.000025 32O 3s 0.007925 0.000091 0.001708 0.001376 -0.001180 0.000055 32O 4s 0.014655 0.000332 0.002166 0.001975 -0.001985 -0.000039 32O 5s -0.004402 -0.000420 0.000100 -0.000134 0.001191 0.000363 32O 1pz 0.000572 0.000116 -0.000239 0.000303 -0.000298 -0.000255 32O 1px -0.001381 0.000012 -0.000326 -0.000074 0.000939 -0.000107 32O 1py 0.001627 0.000020 0.000138 -0.000010 -0.000246 0.000022 32O 2pz 0.000446 0.000088 -0.000273 0.000221 -0.000328 -0.000200 32O 2px -0.001115 0.000002 -0.000167 0.000088 0.001048 -0.000138 32O 2py 0.001437 0.000028 0.000110 0.000042 -0.000157 0.000024 32O 3pz 0.001265 -0.000612 -0.001175 0.000824 -0.000525 0.000511 32O 3px -0.003615 -0.000288 -0.000415 0.000212 0.001389 0.000196 32O 3py -0.000706 -0.000081 -0.001048 -0.001438 0.000162 0.000172 32O 1dz2 0.000052 0.000006 -0.000001 0.000019 0.000001 -0.000010 32O 1dxz 0.000018 0.000001 0.000032 -0.000004 0.000014 0.000000 32O 1dyz 0.000017 0.000022 0.000004 -0.000009 -0.000001 -0.000027 32O 1dx2y2 0.000030 0.000002 -0.000001 -0.000016 -0.000029 0.000001 32O 1dxy -0.000072 0.000008 0.000002 0.000011 0.000012 -0.000013 32O 2dz2 0.000215 -0.000002 0.000074 -0.000032 -0.000100 0.000017 32O 2dxz 0.000243 0.000011 -0.000161 0.000066 -0.000141 0.000010 32O 2dyz 0.000078 -0.000029 -0.000083 0.000150 -0.000043 0.000020 32O 2dx2y2 -0.000267 0.000005 0.000008 0.000122 0.000182 -0.000017 32O 2dxy -0.000253 -0.000018 -0.000171 -0.000159 0.000131 0.000008 32O 1f0 0.000061 -0.000005 0.000003 0.000002 -0.000011 0.000005 32O 1f+1 -0.000028 -0.000006 0.000014 -0.000012 0.000007 0.000001 32O 1f-1 0.000077 -0.000006 0.000001 0.000010 -0.000012 0.000007 32O 1f+2 -0.000039 0.000005 -0.000018 0.000005 0.000004 -0.000005 32O 1f-2 0.000045 0.000009 0.000014 0.000006 -0.000008 -0.000005 32O 1f+3 -0.000030 -0.000006 0.000002 -0.000011 0.000001 0.000003 32O 1f-3 -0.000027 -0.000005 0.000007 0.000017 0.000007 0.000002 33O 1s -0.036020 0.033015 -0.050969 -0.000809 -0.009056 0.009545 33O 2s -0.085388 0.078289 -0.120843 -0.001919 -0.021611 0.022797 33O 3s 0.123848 -0.113675 0.175340 0.002775 0.032368 -0.034361 33O 4s 0.168507 -0.154461 0.237853 0.003818 0.045216 -0.046982 33O 5s 0.057815 -0.061482 0.099030 0.001715 0.021686 -0.025308 33O 1pz 0.019200 -0.018256 0.029416 0.000116 -0.019259 0.018236 33O 1px -0.024895 0.022946 -0.035490 -0.000784 -0.001655 0.002448 33O 1py 0.002173 -0.002348 0.004361 0.000627 -0.012253 0.011865 33O 2pz 0.014542 -0.015233 0.024155 0.000057 -0.016809 0.015452 33O 2px -0.021664 0.021156 -0.032981 -0.000736 -0.002198 0.003080 33O 2py 0.000530 -0.001164 0.002005 0.000607 -0.011037 0.010450 33O 3pz 0.005400 -0.005208 -0.000967 -0.000442 -0.005056 0.004059 33O 3px -0.000375 0.004018 -0.004991 -0.000655 0.000117 0.000962 33O 3py 0.003088 -0.001545 -0.002463 0.000754 -0.002875 0.002677 33O 1dz2 0.000424 -0.000410 0.000516 0.000027 -0.000465 0.000439 33O 1dxz -0.001668 0.001546 -0.002452 -0.000021 0.000315 -0.000250 33O 1dyz 0.000291 -0.000285 0.000246 -0.000003 -0.000320 0.000284 33O 1dx2y2 0.000855 -0.000781 0.001265 0.000044 0.000201 -0.000235 33O 1dxy -0.000311 0.000298 -0.000505 -0.000020 0.000337 -0.000330 33O 2dz2 0.001862 -0.001665 0.002964 0.000147 -0.001466 0.001569 33O 2dxz -0.004255 0.004358 -0.006463 -0.000086 0.000867 -0.000690 33O 2dyz 0.001830 -0.001776 0.003291 0.000002 -0.000523 0.000568 33O 2dx2y2 0.001515 -0.001812 0.002487 0.000094 0.000849 -0.001079 33O 2dxy -0.001265 0.001066 -0.001596 0.000009 0.001132 -0.001189 33O 1f0 -0.000307 0.000297 -0.000457 -0.000011 -0.000286 0.000301 33O 1f+1 -0.000817 0.000785 -0.001200 -0.000017 0.000336 -0.000322 33O 1f-1 -0.000182 0.000206 -0.000293 -0.000003 -0.000306 0.000343 33O 1f+2 0.000840 -0.000828 0.001253 0.000026 0.000206 -0.000249 33O 1f-2 -0.000407 0.000403 -0.000599 -0.000009 0.000253 -0.000228 33O 1f+3 0.000185 -0.000178 0.000273 -0.000006 0.000227 -0.000235 33O 1f-3 -0.000309 0.000288 -0.000455 -0.000006 0.000122 -0.000126 34O 1s 0.033782 0.036055 0.000074 -0.049816 -0.009167 -0.009095 34O 2s 0.080080 0.085496 0.000174 -0.118109 -0.021879 -0.021728 34O 3s -0.116112 -0.124147 -0.000237 0.171344 0.032807 0.032819 34O 4s -0.158463 -0.168909 -0.000440 0.233054 0.045667 0.044474 34O 5s -0.052996 -0.066771 0.000777 0.097253 0.022946 0.025888 34O 1pz 0.002267 0.002088 -0.000569 -0.002289 -0.010807 -0.009939 34O 1px -0.028794 -0.031253 -0.000185 0.043928 -0.009149 -0.007401 34O 1py 0.005230 0.006163 -0.000365 -0.009648 0.018767 0.017114 34O 2pz 0.003137 0.002894 -0.000565 -0.003843 -0.009867 -0.008930 34O 2px -0.023918 -0.027854 -0.000105 0.039374 -0.007332 -0.005407 34O 2py 0.002498 0.003942 -0.000420 -0.005932 0.016738 0.014952 34O 3pz -0.002824 -0.000869 -0.000948 -0.002766 -0.002051 -0.001899 34O 3px -0.002402 -0.006392 0.000244 0.003831 -0.002147 -0.000250 34O 3py 0.004435 0.002858 -0.000473 0.002875 0.004171 0.003422 34O 1dz2 0.000860 0.000933 0.000037 -0.001264 0.000217 0.000159 34O 1dxz 0.000012 -0.000004 -0.000002 -0.000055 -0.000395 -0.000367 34O 1dyz 0.000020 0.000023 -0.000012 0.000139 0.000012 -0.000006 34O 1dx2y2 -0.001335 -0.001430 0.000010 0.002094 -0.000019 0.000030 34O 1dxy 0.000857 0.000945 -0.000008 -0.001211 0.000655 0.000578 34O 2dz2 0.002502 0.003032 0.000053 -0.004236 0.000226 0.000077 34O 2dxz -0.000720 -0.000561 0.000061 0.001044 -0.001199 -0.001260 34O 2dyz 0.000422 0.000590 -0.000057 -0.001271 -0.000288 -0.000284 34O 2dx2y2 -0.002899 -0.003647 0.000082 0.004662 0.000134 0.000388 34O 2dxy 0.003084 0.003369 0.000030 -0.005027 0.001865 0.001788 34O 1f0 -0.000044 -0.000079 0.000004 0.000086 0.000268 0.000285 34O 1f+1 0.000636 0.000712 -0.000008 -0.000979 0.000016 -0.000004 34O 1f-1 -0.000214 -0.000247 -0.000008 0.000331 -0.000114 -0.000095 34O 1f+2 -0.000286 -0.000336 0.000003 0.000444 -0.000148 -0.000116 34O 1f-2 -0.000246 -0.000284 0.000002 0.000391 0.000199 0.000201 34O 1f+3 0.000641 0.000738 0.000004 -0.001006 -0.000372 -0.000393 34O 1f-3 -0.000732 -0.000823 -0.000000 0.001134 -0.000397 -0.000357 35O 1s 0.035693 -0.032763 0.050580 0.000803 -0.008762 0.009245 35O 2s 0.084631 -0.077708 0.119946 0.001903 -0.020919 0.022090 35O 3s -0.122919 0.112999 -0.174267 -0.002764 0.031490 -0.033455 35O 4s -0.166591 0.152944 -0.235609 -0.003772 0.043000 -0.044752 35O 5s -0.056454 0.060740 -0.098657 -0.001059 0.021436 -0.025101 35O 1pz -0.001885 0.002228 -0.004507 0.000286 -0.017932 0.017486 35O 1px -0.028334 0.026365 -0.041214 -0.000433 -0.005749 0.004688 35O 1py -0.011748 0.011212 -0.018164 -0.000857 -0.012942 0.012238 35O 2pz 0.000504 0.000528 -0.001116 0.000351 -0.016192 0.015518 35O 2px -0.023777 0.023656 -0.037162 -0.000357 -0.004623 0.003394 35O 2py -0.008417 0.009048 -0.014410 -0.000815 -0.011638 0.010706 35O 3pz -0.004304 0.001935 0.004010 0.000559 -0.003887 0.003051 35O 3px -0.000870 0.005074 -0.003310 0.000566 -0.002176 0.000183 35O 3py -0.003173 0.003191 0.001257 -0.000642 -0.002945 0.001871 35O 1dz2 0.000854 -0.000786 0.001336 -0.000010 0.000055 -0.000034 35O 1dxz -0.000524 0.000510 -0.000734 -0.000014 -0.000583 0.000562 35O 1dyz -0.000242 0.000238 -0.000169 0.000016 -0.000283 0.000252 35O 1dx2y2 -0.001004 0.000919 -0.001484 -0.000033 0.000134 -0.000169 35O 1dxy -0.001315 0.001230 -0.001862 -0.000046 -0.000352 0.000294 35O 2dz2 0.001812 -0.001930 0.002590 -0.000034 0.000279 -0.000116 35O 2dxz -0.002148 0.001840 -0.003133 -0.000108 -0.001830 0.001948 35O 2dyz -0.001503 0.001471 -0.002850 -0.000008 -0.000447 0.000481 35O 2dx2y2 -0.001907 0.002224 -0.003098 -0.000119 0.000536 -0.000794 35O 2dxy -0.003518 0.003584 -0.005609 -0.000062 -0.000976 0.000847 35O 1f0 0.000379 -0.000365 0.000559 0.000001 0.000293 -0.000287 35O 1f+1 0.000631 -0.000607 0.000935 0.000020 -0.000217 0.000237 35O 1f-1 0.000518 -0.000536 0.000786 0.000013 -0.000120 0.000174 35O 1f+2 -0.000494 0.000484 -0.000741 -0.000013 -0.000149 0.000133 35O 1f-2 -0.000159 0.000147 -0.000228 -0.000011 -0.000430 0.000437 35O 1f+3 0.000083 -0.000091 0.000130 0.000001 -0.000296 0.000316 35O 1f-3 0.000785 -0.000761 0.001165 0.000013 0.000078 -0.000051 66 67 68 69 70 71 -0.71892 -0.71886 -0.54786 -0.54219 -0.53512 -0.53243 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s 0.000017 0.000010 -0.003351 -0.000090 -0.000065 -0.000054 0Rh 2s -0.000071 -0.000039 0.012780 0.000351 0.000239 0.000219 0Rh 3s 0.000055 0.000032 -0.011433 -0.000304 -0.000226 -0.000177 0Rh 4s 0.000298 0.000161 -0.053647 -0.001475 -0.001002 -0.000929 0Rh 5s -0.000265 -0.000132 0.040825 0.001160 0.000719 0.000830 0Rh 6s -0.000289 -0.000193 0.081221 0.002115 0.001661 0.000945 0Rh 7s 0.000015 -0.000203 -0.093511 -0.002038 -0.002282 -0.000740 0Rh 8s -0.001194 0.001476 -0.014897 -0.001251 0.005018 0.010223 0Rh 1pz -0.002631 -0.003709 -0.000790 0.000331 -0.009465 -0.000840 0Rh 1px -0.001515 -0.000637 0.001885 0.000139 -0.002974 0.001701 0Rh 1py 0.003662 -0.002921 0.000212 0.000076 0.000217 -0.010618 0Rh 2pz 0.008837 0.012456 0.002652 -0.001120 0.031908 0.002834 0Rh 2px 0.005090 0.002138 -0.006320 -0.000469 0.010027 -0.005739 0Rh 2py -0.012300 0.009809 -0.000704 -0.000256 -0.000732 0.035799 0Rh 3pz -0.006798 -0.009599 -0.001914 0.000922 -0.024904 -0.002224 0Rh 3px -0.003924 -0.001635 0.004366 0.000363 -0.007812 0.004535 0Rh 3py 0.009493 -0.007555 0.000365 0.000217 0.000559 -0.027994 0Rh 4pz -0.010991 -0.015438 -0.003892 0.001286 -0.041544 -0.003669 0Rh 4px -0.006300 -0.002696 0.009944 0.000608 -0.013098 0.007293 0Rh 4py 0.015193 -0.012174 0.001519 0.000279 0.001001 -0.046564 0Rh 5pz 0.000136 0.000110 0.000642 0.000200 0.003364 0.000377 0Rh 5px 0.000041 0.000123 -0.002439 0.000005 0.001149 -0.000386 0Rh 5py -0.000028 0.000127 -0.000916 0.000015 -0.000148 0.004294 0Rh 6pz 0.002584 0.003575 0.000843 -0.002217 0.019461 -0.000884 0Rh 6px 0.001359 -0.000134 -0.005067 -0.001172 0.005048 -0.003051 0Rh 6py -0.004352 0.002535 0.003376 0.001987 -0.000215 0.011138 0Rh 1dz2 -0.000364 -0.000634 0.007935 -0.012677 0.005247 0.000439 0Rh 1dxz 0.000542 0.000937 0.009774 0.001970 -0.007517 -0.000570 0Rh 1dyz 0.000589 -0.000233 0.002652 -0.030791 -0.000569 0.002403 0Rh 1dx2y2 0.000678 0.000032 -0.014935 -0.004854 -0.002855 0.002009 0Rh 1dxy -0.000846 0.000783 -0.005615 -0.012211 0.000191 -0.006691 0Rh 2dz2 -0.000006 -0.000003 -0.000165 0.000220 -0.000111 -0.000015 0Rh 2dxz 0.000009 0.000011 -0.000217 -0.000017 0.000178 0.000017 0Rh 2dyz 0.000004 0.000005 -0.000050 0.000557 0.000044 -0.000064 0Rh 2dx2y2 0.000007 -0.000002 0.000318 0.000100 0.000068 -0.000058 0Rh 2dxy -0.000016 0.000012 0.000118 0.000219 0.000009 0.000192 0Rh 3dz2 0.000538 0.000905 -0.011015 0.017804 -0.007403 -0.000593 0Rh 3dxz -0.000801 -0.001368 -0.013542 -0.002844 0.010576 0.000794 0Rh 3dyz -0.000846 0.000312 -0.003703 0.043151 0.000704 -0.003354 0Rh 3dx2y2 -0.000984 -0.000037 0.020689 0.006762 0.004003 -0.002788 0Rh 3dxy 0.001260 -0.001154 0.007812 0.017126 -0.000314 0.009295 0Rh 4dz2 0.000621 0.001157 -0.015736 0.024804 -0.010132 -0.000916 0Rh 4dxz -0.000916 -0.001631 -0.019491 -0.003641 0.014588 0.001132 0Rh 4dyz -0.001065 0.000476 -0.005213 0.060464 0.001339 -0.004736 0Rh 4dx2y2 -0.001201 -0.000084 0.029756 0.009635 0.005563 -0.004000 0Rh 4dxy 0.001414 -0.001341 0.011095 0.023981 -0.000260 0.013287 0Rh 5dz2 0.000903 0.001258 -0.012625 0.020669 -0.008582 -0.000500 0Rh 5dxz -0.001372 -0.002221 -0.015205 -0.003685 0.012157 0.000795 0Rh 5dyz -0.001188 0.000214 -0.004220 0.049764 0.000578 -0.003592 0Rh 5dx2y2 -0.001467 0.000031 0.023413 0.007610 0.004682 -0.002974 0Rh 5dxy 0.002174 -0.001895 0.008811 0.019615 -0.000500 0.010044 0Rh 1f0 -0.000975 0.000248 0.000344 -0.000262 -0.000786 0.002324 0Rh 1f+1 0.000032 0.000312 -0.000287 0.000487 0.000780 0.000473 0Rh 1f-1 -0.000176 0.001688 0.000029 -0.000562 0.002707 0.003183 0Rh 1f+2 -0.001186 -0.000804 -0.000407 -0.000286 -0.003182 0.000716 0Rh 1f-2 -0.000899 0.000622 -0.000154 0.000917 -0.000384 0.003064 0Rh 1f+3 0.000866 0.000201 -0.000486 -0.000128 0.001620 -0.001778 0Rh 1f-3 -0.000351 0.000139 -0.000284 -0.000545 -0.000158 0.001588 1Rh 1s -0.000008 0.000009 -0.003352 -0.000089 0.000077 0.000058 1Rh 2s 0.000035 -0.000034 0.012781 0.000345 -0.000287 -0.000232 1Rh 3s -0.000023 0.000033 -0.011435 -0.000299 0.000269 0.000189 1Rh 4s -0.000147 0.000140 -0.053652 -0.001450 0.001203 0.000984 1Rh 5s 0.000151 -0.000094 0.040832 0.001142 -0.000870 -0.000869 1Rh 6s 0.000072 -0.000245 0.081221 0.002078 -0.001972 -0.001037 1Rh 7s 0.000175 0.000590 -0.093489 -0.002001 0.002636 0.000864 1Rh 8s 0.001210 -0.001412 -0.014896 -0.001354 -0.004889 -0.010223 1Rh 1pz -0.002629 -0.003707 0.000749 -0.000283 -0.009472 -0.000879 1Rh 1px -0.001519 -0.000646 -0.001899 -0.000126 -0.002964 0.001691 1Rh 1py 0.003659 -0.002923 -0.000223 -0.000047 0.000189 -0.010616 1Rh 2pz 0.008830 0.012452 -0.002516 0.000958 0.031933 0.002963 1Rh 2px 0.005103 0.002170 0.006366 0.000425 0.009992 -0.005703 1Rh 2py -0.012289 0.009818 0.000741 0.000159 -0.000638 0.035794 1Rh 3pz -0.006792 -0.009595 0.001806 -0.000795 -0.024925 -0.002323 1Rh 3px -0.003937 -0.001666 -0.004402 -0.000328 -0.007788 0.004507 1Rh 3py 0.009483 -0.007562 -0.000396 -0.000141 0.000486 -0.027990 1Rh 4pz -0.010987 -0.015436 0.003724 -0.001074 -0.041572 -0.003843 1Rh 4px -0.006308 -0.002715 -0.009999 -0.000555 -0.013044 0.007248 1Rh 4py 0.015183 -0.012180 -0.001560 -0.000153 0.000875 -0.046555 1Rh 5pz 0.000142 0.000116 -0.000643 -0.000221 0.003355 0.000389 1Rh 5px 0.000024 0.000087 0.002432 -0.000001 0.001136 -0.000389 1Rh 5py -0.000031 0.000121 0.000908 -0.000031 -0.000138 0.004289 1Rh 6pz 0.002561 0.003592 -0.000700 0.002217 0.019466 -0.000657 1Rh 6px 0.001418 -0.000013 0.005139 0.001070 0.004997 -0.002952 1Rh 6py -0.004364 0.002592 -0.003334 -0.001937 -0.000219 0.011059 1Rh 1dz2 0.000399 0.000491 0.007903 -0.012632 -0.005330 -0.000528 1Rh 1dxz -0.000562 -0.000957 0.009776 0.001932 0.007501 0.000654 1Rh 1dyz -0.000481 -0.000065 0.002664 -0.030778 0.000361 -0.002440 1Rh 1dx2y2 -0.000635 -0.000024 -0.014888 -0.004845 0.002877 -0.001971 1Rh 1dxy 0.000901 -0.000876 -0.005593 -0.012203 -0.000166 0.006667 1Rh 2dz2 0.000006 0.000004 -0.000164 0.000220 0.000113 0.000016 1Rh 2dxz -0.000008 -0.000010 -0.000217 -0.000016 -0.000177 -0.000017 1Rh 2dyz -0.000005 -0.000001 -0.000050 0.000557 -0.000041 0.000064 1Rh 2dx2y2 -0.000008 0.000002 0.000317 0.000100 -0.000069 0.000058 1Rh 2dxy 0.000015 -0.000011 0.000118 0.000219 -0.000009 -0.000192 1Rh 3dz2 -0.000586 -0.000711 -0.010968 0.017739 0.007518 0.000724 1Rh 3dxz 0.000829 0.001394 -0.013541 -0.002792 -0.010558 -0.000919 1Rh 3dyz 0.000698 0.000095 -0.003720 0.043130 -0.000410 0.003406 1Rh 3dx2y2 0.000926 0.000028 0.020618 0.006751 -0.004032 0.002732 1Rh 3dxy -0.001335 0.001282 0.007781 0.017112 0.000273 -0.009261 1Rh 4dz2 -0.000687 -0.000879 -0.015672 0.024718 0.010296 0.001073 1Rh 4dxz 0.000957 0.001675 -0.019488 -0.003565 -0.014546 -0.001282 1Rh 4dyz 0.000854 0.000103 -0.005236 0.060436 -0.000937 0.004805 1Rh 4dx2y2 0.001114 0.000064 0.029661 0.009613 -0.005608 0.003929 1Rh 4dxy -0.001520 0.001520 0.011053 0.023971 0.000227 -0.013242 1Rh 5dz2 -0.000970 -0.000998 -0.012586 0.020597 0.008720 0.000690 1Rh 5dxz 0.001409 0.002255 -0.015232 -0.003638 -0.012153 -0.000967 1Rh 5dyz 0.000993 0.000328 -0.004240 0.049759 -0.000216 0.003662 1Rh 5dx2y2 0.001392 -0.000043 0.023370 0.007614 -0.004710 0.002900 1Rh 5dxy -0.002273 0.002064 0.008785 0.019595 0.000426 -0.010001 1Rh 1f0 -0.000973 0.000241 -0.000343 0.000259 -0.000785 0.002314 1Rh 1f+1 0.000031 0.000319 0.000293 -0.000493 0.000781 0.000456 1Rh 1f-1 -0.000174 0.001683 -0.000016 0.000538 0.002711 0.003190 1Rh 1f+2 -0.001182 -0.000807 0.000393 0.000298 -0.003180 0.000719 1Rh 1f-2 -0.000903 0.000635 0.000157 -0.000927 -0.000394 0.003065 1Rh 1f+3 0.000868 0.000202 0.000489 0.000124 0.001621 -0.001781 1Rh 1f-3 -0.000347 0.000133 0.000284 0.000540 -0.000165 0.001589 2C 1s -0.003909 -0.060667 0.016441 -0.015086 0.014121 0.011912 2C 2s -0.008374 -0.129985 0.035465 -0.032551 0.030485 0.025705 2C 3s 0.012712 0.197544 -0.051675 0.047393 -0.045425 -0.038025 2C 4s 0.015284 0.236445 -0.094456 0.087053 -0.074606 -0.064666 2C 5s 0.001173 0.027719 0.025288 -0.005697 0.005972 0.005439 2C 1pz 0.001185 0.017911 0.050424 -0.049941 0.052446 0.044789 2C 1px 0.000143 0.001954 0.011652 -0.011637 0.012888 0.010104 2C 1py 0.000755 0.012476 0.033558 -0.033348 0.034234 0.031723 2C 2pz 0.001220 0.015544 0.027944 -0.027433 0.033743 0.027690 2C 2px 0.000219 0.001020 0.006771 -0.006762 0.007878 0.005566 2C 2py 0.000336 0.010732 0.018322 -0.018098 0.021483 0.020531 2C 3pz -0.000580 0.000598 0.018275 -0.012747 0.012199 0.011153 2C 3px -0.000342 0.002527 0.005309 -0.004566 0.007605 0.008194 2C 3py 0.000978 0.001132 0.011726 -0.007989 0.007878 0.005842 2C 1dz2 0.000092 0.001060 0.002115 -0.002104 0.002295 0.001908 2C 1dxz 0.000032 0.000452 0.001060 -0.001062 0.001165 0.000983 2C 1dyz 0.000094 0.001667 0.003164 -0.003152 0.003388 0.002995 2C 1dx2y2 -0.000016 -0.000502 -0.000982 0.000974 -0.001024 -0.000954 2C 1dxy 0.000040 0.000369 0.000622 -0.000623 0.000721 0.000524 2C 2dz2 0.000226 0.002409 -0.000281 0.000434 0.000627 0.000059 2C 2dxz 0.000085 0.001145 0.000145 -0.000092 0.001098 0.000965 2C 2dyz 0.000189 0.003261 -0.000077 0.000316 0.000735 0.000590 2C 2dx2y2 -0.000024 -0.001065 -0.000561 0.000468 -0.001192 -0.001199 2C 2dxy 0.000021 0.000484 0.000170 -0.000129 0.000379 0.000227 2C 1f0 0.000114 0.001214 -0.000495 0.000456 -0.000377 -0.000430 2C 1f+1 0.000067 0.000752 -0.000179 0.000155 0.000005 -0.000087 2C 1f-1 0.000191 0.002891 -0.000694 0.000625 -0.000355 -0.000308 2C 1f+2 -0.000167 -0.003030 0.000973 -0.000903 0.000792 0.000590 2C 1f-2 0.000184 0.002817 -0.000971 0.000905 -0.000752 -0.000662 2C 1f+3 -0.000115 -0.001733 0.000757 -0.000731 0.000769 0.000671 2C 1f-3 -0.000020 -0.000142 0.000096 -0.000099 0.000116 0.000127 3C 1s -0.061301 0.003311 0.015588 0.015894 0.010363 -0.015928 3C 2s -0.131379 0.007093 0.033649 0.034322 0.022384 -0.034407 3C 3s 0.200657 -0.010830 -0.049572 -0.050559 -0.033669 0.051509 3C 4s 0.235064 -0.012677 -0.087378 -0.089342 -0.053549 0.084021 3C 5s 0.035467 -0.001355 0.022302 0.004894 0.003957 -0.005026 3C 1pz 0.012267 -0.000610 0.027328 0.030243 0.023264 -0.034317 3C 1px 0.005951 -0.000313 0.018627 0.020339 0.014796 -0.023359 3C 1py -0.017452 0.000974 -0.048335 -0.053253 -0.037977 0.062195 3C 2pz 0.010675 -0.000195 0.015197 0.016678 0.016094 -0.021821 3C 2px 0.004156 -0.000144 0.010841 0.011690 0.009525 -0.014568 3C 2py -0.014600 0.000975 -0.027403 -0.029895 -0.024357 0.039493 3C 3pz -0.000573 -0.000997 0.009038 0.006434 0.001969 -0.005206 3C 3px 0.002643 -0.000160 0.007785 0.006608 0.005526 -0.008575 3C 3py -0.002164 -0.000535 -0.018191 -0.014954 -0.010967 0.016846 3C 1dz2 -0.000335 0.000052 -0.000555 -0.000609 -0.000365 0.000804 3C 1dxz 0.000549 -0.000021 0.001026 0.001135 0.000875 -0.001343 3C 1dyz -0.001647 0.000081 -0.002522 -0.002795 -0.002117 0.003329 3C 1dx2y2 -0.001050 0.000062 -0.001985 -0.002202 -0.001655 0.002618 3C 1dxy -0.000979 0.000049 -0.001714 -0.001890 -0.001431 0.002247 3C 2dz2 -0.000377 0.000051 -0.000046 -0.000006 0.000084 0.000204 3C 2dxz 0.001539 -0.000045 0.000191 0.000104 0.000640 -0.000645 3C 2dyz -0.001928 0.000082 -0.000470 -0.000267 -0.000852 0.000836 3C 2dx2y2 -0.002227 0.000156 -0.000351 -0.000238 -0.001164 0.001708 3C 2dxy -0.001898 0.000078 -0.000237 -0.000074 -0.000823 0.000963 3C 1f0 -0.000288 0.000017 -0.000167 -0.000198 -0.000261 0.000379 3C 1f+1 0.000482 -0.000013 -0.000167 -0.000167 -0.000091 0.000195 3C 1f-1 0.000977 -0.000087 -0.000449 -0.000473 -0.000410 0.000451 3C 1f+2 -0.003981 0.000211 0.001230 0.001273 0.000736 -0.001185 3C 1f-2 -0.003061 0.000148 0.000909 0.000934 0.000513 -0.000861 3C 1f+3 0.001486 -0.000089 -0.000298 -0.000295 -0.000109 0.000120 3C 1f-3 -0.000334 0.000037 -0.000005 -0.000029 -0.000080 0.000190 4C 1s -0.001399 -0.021567 -0.032631 0.030847 -0.032805 -0.027650 4C 2s -0.003021 -0.046585 -0.071084 0.067250 -0.071526 -0.060279 4C 3s 0.005054 0.077064 0.117951 -0.113384 0.119418 0.100654 4C 4s 0.004832 0.079300 0.162063 -0.141684 0.162851 0.137435 4C 5s 0.000872 0.015741 0.001014 -0.009980 0.017745 0.007727 4C 1pz -0.004814 -0.080513 0.006159 -0.002019 0.003663 -0.002308 4C 1px -0.000825 -0.015941 0.003307 -0.003079 0.006426 0.000881 4C 1py -0.004024 -0.053427 0.004536 -0.002128 0.000603 0.004979 4C 2pz -0.003056 -0.050121 -0.005891 0.011467 -0.000493 -0.005474 4C 2px -0.000336 -0.010615 -0.002414 0.002163 0.000376 -0.001884 4C 2py -0.002649 -0.033390 -0.004982 0.008034 -0.003259 -0.000028 4C 3pz 0.000949 0.004749 0.018951 -0.009120 0.019602 0.012133 4C 3px 0.001156 0.000819 0.001212 0.000607 -0.000540 -0.005268 4C 3py -0.001854 0.003428 0.012462 -0.005629 0.010353 0.010091 4C 1dz2 0.000124 0.002554 -0.000986 0.000847 -0.000332 -0.000371 4C 1dxz 0.000097 0.001797 -0.001895 0.001562 -0.001226 -0.001121 4C 1dyz 0.000229 0.003176 0.000438 -0.000361 0.001044 0.000901 4C 1dx2y2 -0.000158 -0.002015 0.002943 -0.002447 0.002177 0.001736 4C 1dxy 0.000017 0.000267 0.001353 -0.001184 0.001305 0.001054 4C 2dz2 0.000882 0.004277 0.000915 -0.001389 0.001471 0.000335 4C 2dxz 0.000532 0.002568 -0.001954 0.000692 -0.001184 -0.000757 4C 2dyz -0.000093 0.004195 0.004291 -0.004338 0.003231 0.003563 4C 2dx2y2 0.000159 -0.003964 0.002920 -0.001673 0.002301 0.000406 4C 2dxy 0.000010 -0.000398 0.002592 -0.002010 0.001743 0.001382 4C 1f0 0.000022 -0.000059 -0.001103 0.000958 -0.000909 -0.000781 4C 1f+1 -0.000006 0.000011 -0.002345 0.001997 -0.002104 -0.001594 4C 1f-1 -0.000077 -0.001343 -0.001760 0.001699 -0.001460 -0.001322 4C 1f+2 0.000056 0.000363 0.002433 -0.002126 0.002126 0.001589 4C 1f-2 0.000016 -0.000548 -0.000598 0.000563 -0.000443 -0.000599 4C 1f+3 -0.000062 -0.000196 0.000011 0.000048 -0.000111 0.000095 4C 1f-3 0.000057 0.000339 -0.001739 0.001469 -0.001461 -0.001329 5C 1s -0.021768 0.001179 -0.030934 -0.032476 -0.024010 0.037057 5C 2s -0.047009 0.002546 -0.067388 -0.070803 -0.052351 0.080793 5C 3s 0.076814 -0.004168 0.111815 0.119366 0.087586 -0.134813 5C 4s 0.085009 -0.004503 0.153702 0.149402 0.118032 -0.184606 5C 5s 0.012994 -0.000659 0.001031 0.011273 0.011292 -0.015343 5C 1pz -0.047389 0.003154 0.003371 0.001625 0.005461 0.002217 5C 1px -0.030604 0.001751 0.002151 0.000127 0.000337 0.000962 5C 1py 0.081196 -0.003973 -0.006387 -0.003058 -0.000403 0.003314 5C 2pz -0.029898 0.002094 -0.003465 -0.006762 0.002216 0.005025 5C 2px -0.019052 0.001206 -0.001083 -0.004152 0.000508 0.000467 5C 2py 0.051527 -0.002557 0.005055 0.010910 0.002316 -0.003065 5C 3pz 0.004958 0.001924 0.011648 0.007528 0.011028 -0.010795 5C 3px 0.003442 -0.000299 0.004106 0.001191 0.003091 -0.006650 5C 3py -0.007659 0.001392 -0.017407 -0.009963 -0.009720 0.018409 5C 1dz2 -0.000152 -0.000022 -0.001660 -0.001535 -0.001046 0.001747 5C 1dxz 0.001790 -0.000109 -0.001808 -0.001688 -0.000916 0.001453 5C 1dyz -0.002578 0.000159 -0.001062 -0.001005 -0.001177 0.001656 5C 1dx2y2 -0.003166 0.000144 0.002548 0.002358 0.001297 -0.001906 5C 1dxy -0.002282 0.000118 0.000705 0.000709 0.000162 -0.000245 5C 2dz2 -0.000002 0.000556 -0.003068 -0.002548 -0.000968 0.003185 5C 2dxz 0.002881 0.000108 -0.001300 -0.000811 -0.000423 0.000815 5C 2dyz -0.003355 -0.000116 -0.004148 -0.004328 -0.002704 0.003637 5C 2dx2y2 -0.004813 0.000721 0.001805 0.000471 0.001033 -0.000088 5C 2dxy -0.003643 0.000233 -0.001042 -0.001720 -0.000624 0.001890 5C 1f0 0.001021 -0.000070 0.000122 0.000260 0.000001 -0.000238 5C 1f+1 0.000241 -0.000042 -0.001319 -0.001222 -0.000964 0.001226 5C 1f-1 0.000041 -0.000060 0.000258 0.000240 0.000033 -0.000357 5C 1f+2 0.000936 -0.000008 0.001070 0.001131 0.000818 -0.001011 5C 1f-2 0.000606 -0.000055 0.002104 0.002101 0.001352 -0.002156 5C 1f+3 -0.000584 0.000026 -0.002293 -0.002236 -0.001491 0.002315 5C 1f-3 0.000037 -0.000019 0.002147 0.002045 0.001368 -0.002243 6C 1s 0.022091 -0.001502 -0.030873 -0.032480 0.023955 -0.037080 6C 2s 0.047707 -0.003244 -0.067256 -0.070813 0.052232 -0.080843 6C 3s -0.077962 0.005311 0.111594 0.119392 -0.087384 0.134914 6C 4s -0.086195 0.005733 0.153396 0.149374 -0.117783 0.184628 6C 5s -0.013138 0.001045 0.001022 0.011304 -0.011330 0.015369 6C 1pz -0.048047 0.003855 -0.003380 -0.001704 0.005522 0.002125 6C 1px -0.031041 0.002204 -0.002116 -0.000097 0.000210 0.001124 6C 1py 0.082331 -0.005174 0.006395 0.003069 -0.000451 0.003366 6C 2pz -0.030318 0.002528 0.003480 0.006724 0.002242 0.005003 6C 2px -0.019335 0.001489 0.001086 0.004155 0.000493 0.000582 6C 2py 0.052252 -0.003297 -0.005062 -0.010912 0.002272 -0.003077 6C 3pz 0.004980 0.001968 -0.011528 -0.007547 0.010990 -0.010803 6C 3px 0.003465 -0.000271 -0.004053 -0.001163 0.003098 -0.006551 6C 3py -0.007709 0.001275 0.017304 0.009993 -0.009741 0.018476 6C 1dz2 0.000156 0.000020 -0.001655 -0.001532 0.001042 -0.001743 6C 1dxz -0.001816 0.000137 -0.001808 -0.001690 0.000918 -0.001460 6C 1dyz 0.002613 -0.000197 -0.001060 -0.001006 0.001178 -0.001660 6C 1dx2y2 0.003206 -0.000193 0.002545 0.002357 -0.001292 0.001903 6C 1dxy 0.002316 -0.000152 0.000705 0.000711 -0.000166 0.000253 6C 2dz2 0.000002 -0.000555 -0.003074 -0.002548 0.000978 -0.003192 6C 2dxz -0.002909 -0.000077 -0.001294 -0.000800 0.000408 -0.000807 6C 2dyz 0.003405 0.000072 -0.004136 -0.004321 0.002687 -0.003632 6C 2dx2y2 0.004881 -0.000778 0.001800 0.000486 -0.001044 0.000089 6C 2dxy 0.003674 -0.000276 -0.001070 -0.001745 0.000648 -0.001932 6C 1f0 0.001035 -0.000084 -0.000123 -0.000260 0.000001 -0.000239 6C 1f+1 0.000244 -0.000045 0.001316 0.001222 -0.000962 0.001226 6C 1f-1 0.000042 -0.000061 -0.000257 -0.000238 0.000032 -0.000355 6C 1f+2 0.000950 -0.000022 -0.001068 -0.001131 0.000815 -0.001011 6C 1f-2 0.000617 -0.000065 -0.002101 -0.002101 0.001350 -0.002159 6C 1f+3 -0.000595 0.000036 0.002289 0.002236 -0.001488 0.002315 6C 1f-3 0.000039 -0.000022 -0.002145 -0.002045 0.001365 -0.002243 7C 1s 0.001298 0.022334 -0.032460 0.030598 0.033090 0.027727 7C 2s 0.002804 0.048242 -0.070712 0.066707 0.072147 0.060447 7C 3s -0.004698 -0.079799 0.117345 -0.112479 -0.120463 -0.100950 7C 4s -0.004451 -0.082089 0.161153 -0.140447 -0.164210 -0.137724 7C 5s -0.000737 -0.016292 0.000984 -0.010034 -0.018009 -0.007720 7C 1pz -0.004427 -0.083091 -0.006064 0.001946 0.003586 -0.002391 7C 1px -0.000744 -0.016362 -0.003296 0.003070 0.006545 0.001111 7C 1py -0.003787 -0.055502 -0.004572 0.002130 0.000653 0.005022 7C 2pz -0.002813 -0.051721 0.005929 -0.011482 -0.000620 -0.005593 7C 2px -0.000291 -0.010887 0.002433 -0.002147 0.000348 -0.001771 7C 2py -0.002501 -0.034658 0.004977 -0.008039 -0.003319 -0.000069 7C 3pz 0.000984 0.004761 -0.018763 0.008993 0.019675 0.012219 7C 3px 0.001154 0.000929 -0.001091 -0.000721 -0.000687 -0.005315 7C 3py -0.001845 0.003402 -0.012387 0.005512 0.010324 0.010138 7C 1dz2 -0.000111 -0.002622 -0.000991 0.000850 0.000349 0.000384 7C 1dxz -0.000088 -0.001845 -0.001889 0.001553 0.001242 0.001118 7C 1dyz -0.000214 -0.003295 0.000437 -0.000356 -0.001051 -0.000904 7C 1dx2y2 0.000149 0.002095 0.002928 -0.002428 -0.002196 -0.001741 7C 1dxy -0.000016 -0.000277 0.001345 -0.001174 -0.001318 -0.001063 7C 2dz2 -0.000866 -0.004367 0.000894 -0.001372 -0.001469 -0.000328 7C 2dxz -0.000522 -0.002620 -0.001951 0.000687 0.001217 0.000768 7C 2dyz 0.000107 -0.004345 0.004288 -0.004333 -0.003286 -0.003595 7C 2dx2y2 -0.000172 0.004053 0.002885 -0.001642 -0.002307 -0.000389 7C 2dxy -0.000011 0.000377 0.002571 -0.001998 -0.001755 -0.001374 7C 1f0 0.000023 -0.000056 0.001089 -0.000942 -0.000911 -0.000777 7C 1f+1 -0.000005 0.000007 0.002322 -0.001972 -0.002113 -0.001589 7C 1f-1 -0.000070 -0.001393 0.001750 -0.001687 -0.001475 -0.001327 7C 1f+2 0.000055 0.000393 -0.002426 0.002116 0.002151 0.001597 7C 1f-2 0.000018 -0.000566 0.000599 -0.000561 -0.000450 -0.000601 7C 1f+3 -0.000061 -0.000206 -0.000015 -0.000046 -0.000106 0.000097 7C 1f-3 0.000056 0.000339 0.001739 -0.001466 -0.001483 -0.001341 8C 1s 0.062165 -0.004218 0.015562 0.015897 -0.010339 0.015940 8C 2s 0.133228 -0.009037 0.033594 0.034329 -0.022330 0.034435 8C 3s -0.203482 0.013796 -0.049486 -0.050572 0.033592 -0.051549 8C 4s -0.238359 0.016170 -0.087261 -0.089337 0.053394 -0.084092 8C 5s -0.035960 0.001585 0.022138 0.004869 -0.003883 0.004974 8C 1pz 0.012435 -0.000791 -0.027274 -0.030253 0.023212 -0.034347 8C 1px 0.006016 -0.000399 -0.018596 -0.020342 0.014734 -0.023344 8C 1py -0.017729 0.001234 0.048225 0.053223 -0.037866 0.062208 8C 2pz 0.010815 -0.000353 -0.015145 -0.016688 0.016052 -0.021816 8C 2px 0.004214 -0.000214 -0.010807 -0.011685 0.009472 -0.014529 8C 2py -0.014849 0.001208 0.027321 0.029876 -0.024297 0.039497 8C 3pz -0.000566 -0.000949 -0.009042 -0.006442 0.001994 -0.005249 8C 3px 0.002631 -0.000153 -0.007809 -0.006681 0.005589 -0.008709 8C 3py -0.002213 -0.000574 0.018096 0.014911 -0.010889 0.016768 8C 1dz2 0.000340 -0.000056 -0.000554 -0.000608 0.000363 -0.000803 8C 1dxz -0.000557 0.000030 0.001024 0.001136 -0.000872 0.001345 8C 1dyz 0.001669 -0.000105 -0.002516 -0.002795 0.002112 -0.003331 8C 1dx2y2 0.001062 -0.000078 -0.001982 -0.002202 0.001651 -0.002621 8C 1dxy 0.000992 -0.000064 -0.001711 -0.001891 0.001427 -0.002248 8C 2dz2 0.000380 -0.000061 -0.000053 -0.000012 -0.000080 -0.000213 8C 2dxz -0.001546 0.000066 0.000198 0.000115 -0.000644 0.000658 8C 2dyz 0.001981 -0.000124 -0.000454 -0.000257 0.000845 -0.000819 8C 2dx2y2 0.002268 -0.000190 -0.000339 -0.000229 0.001153 -0.001690 8C 2dxy 0.001922 -0.000107 -0.000235 -0.000079 0.000827 -0.000965 8C 1f0 -0.000281 0.000021 0.000170 0.000202 -0.000263 0.000383 8C 1f+1 0.000443 -0.000017 0.000150 0.000149 -0.000078 0.000175 8C 1f-1 0.000981 -0.000101 0.000444 0.000470 -0.000407 0.000447 8C 1f+2 -0.004024 0.000269 -0.001223 -0.001267 0.000730 -0.001180 8C 1f-2 -0.003139 0.000197 -0.000923 -0.000949 0.000522 -0.000879 8C 1f+3 0.001487 -0.000110 0.000290 0.000287 -0.000103 0.000111 8C 1f-3 -0.000360 0.000044 -0.000004 0.000020 -0.000074 0.000180 9C 1s 0.003625 0.062748 0.016361 -0.014973 -0.014258 -0.011945 9C 2s 0.007765 0.134442 0.035292 -0.032307 -0.030778 -0.025775 9C 3s -0.011788 -0.204316 -0.051413 0.047023 0.045847 0.038120 9C 4s -0.014174 -0.244527 -0.094037 0.086473 0.075403 0.064884 9C 5s -0.001120 -0.028608 0.025151 -0.005571 -0.005937 -0.005551 9C 1pz 0.001102 0.018538 -0.050049 0.049441 0.052812 0.044792 9C 1px 0.000133 0.002002 -0.011524 0.011481 0.012949 0.010118 9C 1py 0.000696 0.012895 -0.033587 0.033280 0.034761 0.031973 9C 2pz 0.001149 0.016117 -0.027714 0.027115 0.033960 0.027681 9C 2px 0.000211 0.001075 -0.006703 0.006678 0.007914 0.005568 9C 2py 0.000284 0.011058 -0.018339 0.018043 0.021774 0.020652 9C 3pz -0.000574 0.000596 -0.018096 0.012532 0.012142 0.011076 9C 3px -0.000343 0.002527 -0.005277 0.004543 0.007692 0.008267 9C 3py 0.000989 0.001279 -0.011757 0.008010 0.008136 0.006025 9C 1dz2 -0.000087 -0.001086 0.002088 -0.002072 -0.002299 -0.001897 9C 1dxz -0.000030 -0.000456 0.001049 -0.001047 -0.001169 -0.000981 9C 1dyz -0.000086 -0.001727 0.003158 -0.003137 -0.003429 -0.003014 9C 1dx2y2 0.000014 0.000520 -0.000992 0.000981 0.001050 0.000967 9C 1dxy -0.000039 -0.000389 0.000616 -0.000617 -0.000727 -0.000525 9C 2dz2 -0.000214 -0.002493 -0.000286 0.000444 -0.000607 -0.000037 9C 2dxz -0.000081 -0.001195 0.000128 -0.000073 -0.001080 -0.000949 9C 2dyz -0.000174 -0.003397 -0.000084 0.000329 -0.000742 -0.000584 9C 2dx2y2 0.000022 0.001132 -0.000539 0.000439 0.001193 0.001191 9C 2dxy -0.000017 -0.000483 0.000174 -0.000133 -0.000391 -0.000236 9C 1f0 0.000107 0.001240 0.000488 -0.000449 -0.000381 -0.000431 9C 1f+1 0.000063 0.000787 0.000183 -0.000158 -0.000002 -0.000092 9C 1f-1 0.000176 0.002964 0.000682 -0.000613 -0.000351 -0.000304 9C 1f+2 -0.000157 -0.003213 -0.000998 0.000925 0.000825 0.000615 9C 1f-2 0.000169 0.002874 0.000952 -0.000885 -0.000745 -0.000653 9C 1f+3 -0.000105 -0.001752 -0.000737 0.000710 0.000761 0.000661 9C 1f-3 -0.000024 -0.000228 -0.000128 0.000129 0.000150 0.000155 10H 1s 0.003113 0.048299 -0.026625 0.025318 -0.024881 -0.021636 10H 2s 0.003313 0.051688 -0.032223 0.030347 -0.028797 -0.025036 10H 3s 0.000599 0.005837 -0.012183 0.011452 -0.014339 -0.013510 10H 1pz 0.000254 0.004002 -0.000275 0.000206 -0.000070 -0.000095 10H 1px -0.000364 -0.005735 0.003375 -0.003225 0.003069 0.002612 10H 1py 0.000084 0.001388 0.000471 -0.000486 0.000521 0.000535 11H 1s 0.003171 0.049591 -0.026596 0.025304 -0.025467 -0.020823 11H 2s 0.003481 0.052834 -0.032066 0.030178 -0.030215 -0.025224 11H 3s 0.000245 0.009705 -0.010577 0.009067 -0.007463 -0.004810 11H 1pz 0.000346 0.004776 -0.000500 0.000406 -0.000356 -0.000251 11H 1px 0.000317 0.004587 -0.001974 0.001863 -0.001927 -0.001637 11H 1py -0.000187 -0.002928 0.002873 -0.002794 0.002866 0.002499 12H 1s 0.003183 0.049182 -0.026849 0.025616 -0.025245 -0.022290 12H 2s 0.003415 0.052629 -0.033069 0.031185 -0.030531 -0.026973 12H 3s 0.001001 0.009476 -0.011006 0.009975 -0.008927 -0.008418 12H 1pz -0.000088 -0.001201 0.002651 -0.002589 0.002648 0.002301 12H 1px 0.000186 0.002999 -0.001215 0.001142 -0.001155 -0.001069 12H 1py 0.000397 0.006459 -0.002226 0.002089 -0.002041 -0.001720 13H 1s 0.048905 -0.002646 -0.025470 -0.027040 -0.018972 0.029158 13H 2s 0.053403 -0.002870 -0.031267 -0.032969 -0.022225 0.034781 13H 3s 0.004670 -0.000588 -0.011102 -0.011328 -0.010778 0.015212 13H 1pz 0.005010 -0.000262 -0.001457 -0.001524 -0.000925 0.001522 13H 1px -0.004813 0.000257 0.003028 0.003242 0.002190 -0.003439 13H 1py -0.002837 0.000150 -0.000360 -0.000433 -0.000300 0.000581 14H 1s 0.049459 -0.002682 -0.025369 -0.026805 -0.018843 0.028637 14H 2s 0.052946 -0.002889 -0.030812 -0.032200 -0.022102 0.033695 14H 3s 0.008118 -0.000810 -0.010297 -0.010424 -0.008067 0.011330 14H 1pz 0.003860 -0.000198 -0.000859 -0.000870 -0.000494 0.000784 14H 1px 0.006200 -0.000323 -0.002396 -0.002511 -0.001737 0.002635 14H 1py 0.000773 -0.000049 -0.002220 -0.002414 -0.001675 0.002726 15H 1s 0.050319 -0.002692 -0.025165 -0.026558 -0.017644 0.028990 15H 2s 0.053582 -0.002982 -0.030303 -0.031610 -0.021257 0.034475 15H 3s 0.009594 -0.000131 -0.009365 -0.008679 -0.003875 0.007389 15H 1pz -0.004456 0.000248 0.003329 0.003576 0.002564 -0.004061 15H 1px 0.001421 -0.000090 0.000040 0.000069 0.000051 -0.000065 15H 1py -0.005841 0.000359 0.000900 0.000869 0.000545 -0.000832 16H 1s -0.000218 -0.000286 -0.000045 0.008638 -0.045652 0.001627 16H 2s -0.000119 -0.000438 -0.002234 0.011485 -0.053286 0.001346 16H 3s -0.000048 -0.000722 0.001149 0.003850 -0.015655 -0.001925 16H 1pz 0.000004 -0.000024 0.000036 0.000661 -0.003232 -0.000010 16H 1px 0.000024 0.000060 0.000725 -0.000721 0.002588 0.000101 16H 1py -0.000032 0.000017 0.000113 0.000549 -0.003558 0.000727 17H 1s 0.000276 0.000234 0.003299 -0.008413 0.045643 -0.004743 17H 2s 0.000355 0.000141 0.001570 -0.010981 0.052814 -0.006254 17H 3s 0.000681 0.000104 0.002222 -0.003364 0.014239 -0.004134 17H 1pz 0.000005 0.000018 -0.000437 0.000004 -0.000302 0.000143 17H 1px -0.000051 -0.000018 0.000263 0.000913 -0.003731 0.000686 17H 1py -0.000020 0.000041 0.000409 -0.000589 0.004042 0.000144 18H 1s -0.000271 -0.000251 0.003234 -0.008185 -0.045527 0.002985 18H 2s -0.000345 -0.000162 0.001509 -0.010636 -0.052676 0.004215 18H 3s -0.000661 -0.000130 0.002201 -0.003259 -0.014253 0.003573 18H 1pz 0.000003 0.000017 0.000447 -0.000029 -0.000423 0.000131 18H 1px -0.000049 -0.000021 -0.000265 -0.000890 -0.003757 0.000540 18H 1py -0.000021 0.000042 -0.000395 0.000552 0.003994 0.000309 19H 1s 0.000206 0.000293 0.000033 0.008395 0.045480 0.000134 19H 2s 0.000107 0.000461 -0.002133 0.011271 0.053176 0.000682 19H 3s 0.000034 0.000749 0.001188 0.003784 0.015626 0.002481 19H 1pz 0.000006 -0.000025 -0.000046 -0.000629 -0.003125 -0.000146 19H 1px 0.000023 0.000064 -0.000719 0.000722 0.002634 0.000190 19H 1py -0.000032 0.000015 -0.000122 -0.000554 -0.003611 0.000579 20H 1s -0.051023 0.003437 -0.025117 -0.026549 0.017593 -0.028997 20H 2s -0.054349 0.003786 -0.030241 -0.031597 0.021185 -0.034468 20H 3s -0.009716 0.000267 -0.009365 -0.008688 0.003874 -0.007429 20H 1pz -0.004527 0.000316 -0.003324 -0.003578 0.002558 -0.004063 20H 1px 0.001495 -0.000115 -0.000015 -0.000043 0.000032 -0.000034 20H 1py -0.005909 0.000445 -0.000890 -0.000860 0.000535 -0.000820 21H 1s -0.050162 0.003414 -0.025316 -0.026802 0.018786 -0.028635 21H 2s -0.053712 0.003674 -0.030766 -0.032209 0.022044 -0.033716 21H 3s -0.008190 0.000933 -0.010212 -0.010360 0.007955 -0.011206 21H 1pz 0.003954 -0.000256 0.000877 0.000890 -0.000506 0.000805 21H 1px 0.006267 -0.000414 0.002381 0.002500 -0.001726 0.002626 21H 1py 0.000800 -0.000062 0.002225 0.002424 -0.001680 0.002739 22H 1s -0.049584 0.003368 -0.025426 -0.027047 0.018933 -0.029195 22H 2s -0.054129 0.003654 -0.031208 -0.032971 0.022178 -0.034822 22H 3s -0.004785 0.000681 -0.011091 -0.011366 0.010775 -0.015277 22H 1pz 0.005043 -0.000332 0.001439 0.001507 -0.000913 0.001507 22H 1px -0.004895 0.000328 -0.003029 -0.003248 0.002188 -0.003447 22H 1py -0.002905 0.000194 0.000344 0.000415 -0.000287 0.000562 23H 1s -0.002954 -0.050888 -0.026707 0.025409 0.025467 0.022352 23H 2s -0.003165 -0.054433 -0.032888 0.030924 0.030814 0.027054 23H 3s -0.000965 -0.009857 -0.010928 0.009855 0.008889 0.008358 23H 1pz -0.000084 -0.001271 -0.002651 0.002582 0.002688 0.002321 23H 1px 0.000165 0.003002 0.001157 -0.001082 -0.001116 -0.001028 23H 1py 0.000368 0.006719 0.002226 -0.002083 -0.002074 -0.001739 24H 1s -0.002938 -0.051267 -0.026468 0.025120 0.025719 0.020905 24H 2s -0.003229 -0.054640 -0.031910 0.029956 0.030501 0.025308 24H 3s -0.000199 -0.009946 -0.010564 0.009046 0.007641 0.004905 24H 1pz 0.000322 0.004918 0.000491 -0.000398 -0.000353 -0.000248 24H 1px 0.000299 0.004816 0.002000 -0.001883 -0.001980 -0.001671 24H 1py -0.000169 -0.002971 -0.002835 0.002749 0.002865 0.002484 25H 1s -0.002887 -0.049965 -0.026496 0.025127 0.025119 0.021669 25H 2s -0.003073 -0.053467 -0.032093 0.030146 0.029104 0.025088 25H 3s -0.000553 -0.006100 -0.012130 0.011378 0.014498 0.013588 25H 1pz 0.000237 0.004173 0.000297 -0.000227 -0.000091 -0.000109 25H 1px -0.000337 -0.005920 -0.003352 0.003195 0.003092 0.002610 25H 1py 0.000074 0.001376 -0.000505 0.000517 0.000559 0.000565 26O 1s 0.000821 0.012806 0.014926 -0.014791 0.017151 0.014293 26O 2s 0.001964 0.030613 0.035635 -0.035375 0.041048 0.034213 26O 3s -0.003002 -0.046740 -0.052031 0.052553 -0.061539 -0.051415 26O 4s -0.003752 -0.058922 -0.087180 0.083207 -0.092495 -0.076466 26O 5s -0.002994 -0.044335 -0.060916 0.061351 -0.088884 -0.074398 26O 1pz -0.000860 -0.022918 -0.027555 0.027063 -0.017243 -0.020101 26O 1px 0.000071 -0.004734 -0.085120 0.079539 -0.089251 -0.074986 26O 1py -0.002004 -0.015284 -0.049239 0.046741 -0.049649 -0.032354 26O 2pz -0.000806 -0.020703 -0.024382 0.023615 -0.015684 -0.018041 26O 2px 0.000080 -0.003718 -0.064832 0.060310 -0.067469 -0.056882 26O 2py -0.001776 -0.013813 -0.039527 0.037349 -0.039795 -0.025489 26O 3pz -0.000764 -0.010103 -0.003501 0.004867 -0.008992 -0.012119 26O 3px -0.000032 0.000009 -0.023053 0.026931 -0.027699 -0.024731 26O 3py -0.000085 -0.006044 -0.011759 0.013065 -0.018004 -0.013271 26O 1dz2 0.000040 0.000059 -0.001411 0.001315 -0.001197 -0.001059 26O 1dxz 0.000052 0.000838 0.000364 -0.000375 0.000310 0.000346 26O 1dyz 0.000008 0.000532 0.000008 0.000078 0.000224 0.000299 26O 1dx2y2 -0.000015 -0.000287 0.001530 -0.001353 0.001506 0.001254 26O 1dxy 0.000058 0.000448 0.001558 -0.001383 0.001630 0.001235 26O 2dz2 0.000024 -0.000299 -0.003328 0.003498 -0.003311 -0.003183 26O 2dxz 0.000205 0.002563 -0.000714 0.000174 -0.000931 -0.000716 26O 2dyz 0.000003 0.000301 -0.001948 0.002043 -0.002504 -0.001984 26O 2dx2y2 -0.000016 -0.001066 0.003570 -0.003349 0.003525 0.002842 26O 2dxy 0.000041 0.000984 0.002230 -0.002330 0.001867 0.001410 26O 1f0 0.000031 0.000407 0.000239 -0.000237 0.000232 0.000213 26O 1f+1 -0.000019 -0.000341 0.000272 -0.000267 0.000319 0.000198 26O 1f-1 -0.000013 -0.000202 -0.000008 0.000163 0.000012 -0.000056 26O 1f+2 -0.000011 -0.000200 -0.000032 -0.000004 0.000007 -0.000064 26O 1f-2 -0.000040 -0.000604 -0.000516 0.000554 -0.000529 -0.000457 26O 1f+3 -0.000024 -0.000436 0.000055 -0.000022 0.000033 0.000112 26O 1f-3 -0.000000 0.000063 0.000754 -0.000750 0.000805 0.000629 27O 1s 0.012987 -0.000690 0.014020 0.015322 0.012287 -0.018918 27O 2s 0.031035 -0.001648 0.033452 0.036628 0.029380 -0.045267 27O 3s -0.047187 0.002492 -0.048581 -0.054205 -0.043746 0.067789 27O 4s -0.060717 0.003272 -0.082588 -0.086866 -0.067170 0.101767 27O 5s -0.046934 0.002396 -0.061140 -0.065981 -0.065566 0.105704 27O 1pz -0.013561 0.001737 -0.006831 -0.007977 0.004552 0.005670 27O 1px -0.008550 0.000657 -0.087866 -0.089701 -0.066864 0.104257 27O 1py 0.023013 -0.000549 0.034645 0.036599 0.022929 -0.029416 27O 2pz -0.012382 0.001559 -0.007007 -0.007952 0.002759 0.006610 27O 2px -0.006535 0.000566 -0.066700 -0.067937 -0.050485 0.078604 27O 2py 0.020497 -0.000546 0.029313 0.030630 0.019909 -0.025123 27O 3pz -0.006469 0.000018 -0.000721 -0.000068 -0.000616 0.006631 27O 3px -0.000183 0.000056 -0.021384 -0.027928 -0.018926 0.029906 27O 3py 0.010050 -0.000518 0.005760 0.007912 0.008589 -0.012924 27O 1dz2 -0.000261 0.000056 -0.001264 -0.001225 -0.000897 0.001557 27O 1dxz 0.000587 -0.000047 -0.000201 -0.000164 -0.000210 0.000134 27O 1dyz -0.000153 -0.000005 0.000215 0.000333 -0.000076 0.000072 27O 1dx2y2 -0.000138 0.000023 0.002092 0.002072 0.001460 -0.002226 27O 1dxy -0.000935 0.000036 -0.000803 -0.000799 -0.000665 0.000989 27O 2dz2 0.000057 0.000044 -0.001489 -0.001646 -0.000705 0.001558 27O 2dxz 0.001696 -0.000041 -0.001511 -0.001412 -0.001338 0.001892 27O 2dyz 0.000734 -0.000059 0.001571 0.002046 0.001486 -0.002544 27O 2dx2y2 -0.000509 0.000061 0.004131 0.004664 0.003173 -0.004661 27O 2dxy -0.002278 0.000132 0.000487 0.000066 0.000696 -0.001031 27O 1f0 0.000388 -0.000019 0.000070 0.000187 0.000001 -0.000122 27O 1f+1 -0.000014 0.000004 0.000495 0.000545 0.000405 -0.000579 27O 1f-1 -0.000149 0.000004 -0.000114 -0.000095 -0.000105 0.000119 27O 1f+2 -0.000201 0.000010 0.000146 0.000262 0.000174 -0.000162 27O 1f-2 0.000284 -0.000017 0.000187 0.000254 0.000105 -0.000260 27O 1f+3 -0.000562 0.000029 0.000233 0.000186 0.000147 -0.000288 27O 1f-3 -0.000517 0.000032 -0.000506 -0.000543 -0.000395 0.000579 28O 1s 0.000843 0.013212 0.014665 -0.014445 0.016566 0.013989 28O 2s 0.002015 0.031567 0.035012 -0.034546 0.039639 0.033492 28O 3s -0.003065 -0.047934 -0.051050 0.051300 -0.059316 -0.050419 28O 4s -0.003950 -0.061993 -0.085381 0.080999 -0.089085 -0.073861 28O 5s -0.002400 -0.045554 -0.067403 0.064556 -0.095391 -0.080778 28O 1pz -0.000903 -0.023137 -0.072289 0.067506 -0.061114 -0.057823 28O 1px 0.000108 -0.004507 0.062926 -0.057128 0.068701 0.053817 28O 1py -0.002001 -0.015382 -0.020488 0.019486 -0.016492 -0.006887 28O 2pz -0.000827 -0.020141 -0.057211 0.053298 -0.047685 -0.045808 28O 2px 0.000064 -0.004916 0.045899 -0.041630 0.050289 0.039167 28O 2py -0.001763 -0.013819 -0.017818 0.016790 -0.014764 -0.006397 28O 3pz -0.001039 -0.009873 -0.014004 0.016880 -0.018818 -0.020302 28O 3px -0.000065 -0.004418 0.016386 -0.020213 0.016524 0.013743 28O 3py -0.000307 -0.007492 -0.002070 0.003015 -0.006981 -0.003712 28O 1dz2 0.000063 0.000730 0.000098 -0.000068 0.000171 0.000194 28O 1dxz 0.000005 -0.000313 -0.002226 0.001992 -0.001964 -0.001759 28O 1dyz 0.000036 0.000579 0.000126 -0.000031 0.000404 0.000322 28O 1dx2y2 0.000008 -0.000378 0.001333 -0.001132 0.001307 0.000975 28O 1dxy -0.000050 -0.000421 -0.000431 0.000460 -0.000290 -0.000171 28O 2dz2 0.000190 0.001917 -0.001448 0.001136 -0.001765 -0.001590 28O 2dxz -0.000070 -0.000866 -0.003442 0.003745 -0.002918 -0.002958 28O 2dyz -0.000007 0.000352 -0.001875 0.001932 -0.002492 -0.002028 28O 2dx2y2 -0.000048 -0.001492 0.003019 -0.002886 0.002958 0.002278 28O 2dxy -0.000087 -0.001695 -0.000155 0.000545 -0.000173 -0.000146 28O 1f0 -0.000022 -0.000429 0.000020 -0.000020 0.000075 -0.000042 28O 1f+1 0.000035 0.000452 0.000446 -0.000440 0.000383 0.000418 28O 1f-1 -0.000027 -0.000451 -0.000386 0.000516 -0.000388 -0.000328 28O 1f+2 0.000022 0.000344 -0.000396 0.000325 -0.000390 -0.000344 28O 1f-2 0.000021 0.000338 0.000230 -0.000165 0.000246 0.000144 28O 1f+3 0.000022 0.000338 -0.000194 0.000209 -0.000199 -0.000176 28O 1f-3 0.000007 0.000165 0.000118 -0.000142 0.000119 0.000068 29O 1s 0.000072 -0.000081 -0.000840 0.000028 -0.000138 -0.001034 29O 2s 0.000172 -0.000197 -0.002098 0.000068 -0.000346 -0.002489 29O 3s -0.000263 0.000344 0.004262 -0.000115 0.000674 0.003928 29O 4s -0.000345 0.000187 0.000934 -0.000083 0.000281 0.004972 29O 5s -0.000377 0.000891 0.010587 -0.000336 0.001371 0.006529 29O 1pz 0.000548 0.000613 0.001432 -0.020743 0.115052 -0.006954 29O 1px 0.000190 0.000249 0.008604 -0.007374 0.042825 -0.003929 29O 1py -0.000355 0.000231 -0.001455 0.001615 -0.010128 0.009549 29O 2pz 0.000544 0.000653 0.000561 -0.016970 0.094812 -0.005558 29O 2px 0.000250 0.000224 0.008800 -0.005982 0.035336 -0.003690 29O 2py -0.000397 0.000264 -0.001491 0.001293 -0.008255 0.007956 29O 3pz 0.000082 -0.000150 0.001350 -0.005204 0.039315 -0.002662 29O 3px -0.000302 0.000077 0.000579 -0.001971 0.014775 0.000458 29O 3py 0.000105 -0.000083 -0.001031 0.000424 -0.003866 0.004881 29O 1dz2 -0.000009 -0.000009 -0.000034 0.000300 -0.001500 0.000110 29O 1dxz 0.000009 0.000007 0.000045 -0.000253 0.001339 -0.000128 29O 1dyz -0.000013 -0.000017 -0.000066 0.000559 -0.002738 0.000184 29O 1dx2y2 -0.000001 0.000005 0.000030 -0.000070 0.000382 0.000064 29O 1dxy -0.000009 -0.000003 -0.000145 0.000238 -0.001199 0.000084 29O 2dz2 -0.000001 0.000055 0.000102 0.000643 -0.003217 0.000542 29O 2dxz -0.000047 -0.000056 0.000201 -0.000449 0.002551 -0.000178 29O 2dyz -0.000073 -0.000021 -0.000110 0.001347 -0.006777 0.000485 29O 2dx2y2 -0.000052 0.000006 0.000001 -0.000064 0.000593 0.000414 29O 2dxy 0.000068 -0.000097 -0.000638 0.000562 -0.002880 -0.000231 29O 1f0 0.000001 -0.000002 -0.000074 -0.000088 0.000580 -0.000033 29O 1f+1 -0.000005 -0.000005 0.000070 -0.000097 0.000567 -0.000036 29O 1f-1 0.000003 0.000000 -0.000045 -0.000074 0.000530 -0.000013 29O 1f+2 0.000000 0.000008 0.000058 -0.000002 -0.000006 0.000013 29O 1f-2 0.000001 -0.000007 -0.000066 0.000144 -0.001018 0.000071 29O 1f+3 -0.000007 0.000003 0.000063 -0.000029 0.000259 -0.000023 29O 1f-3 0.000009 -0.000005 0.000080 -0.000060 0.000487 -0.000083 30O 1s 0.013293 -0.000710 0.013963 0.015364 0.012408 -0.018948 30O 2s 0.031759 -0.001696 0.033330 0.036740 0.029699 -0.045363 30O 3s -0.048175 0.002561 -0.048598 -0.054566 -0.044582 0.068307 30O 4s -0.062487 0.003386 -0.081409 -0.086015 -0.066406 0.100206 30O 5s -0.046196 0.002134 -0.060128 -0.067364 -0.067099 0.105112 30O 1pz -0.013901 0.001755 -0.052007 -0.054430 -0.033419 0.061726 30O 1px -0.008496 0.000652 0.051661 0.052836 0.047117 -0.066938 30O 1py 0.023467 -0.000566 0.060133 0.063779 0.045667 -0.061632 30O 2pz -0.011938 0.001513 -0.041143 -0.042719 -0.025490 0.048474 30O 2px -0.008482 0.000635 0.037240 0.038022 0.034456 -0.048359 30O 2py 0.020369 -0.000490 0.048648 0.051338 0.036684 -0.049386 30O 3pz -0.005498 0.000212 -0.010729 -0.015104 -0.011780 0.023485 30O 3px -0.006317 0.000288 0.015485 0.019625 0.012852 -0.017754 30O 3py 0.010094 -0.000844 0.011136 0.015118 0.015865 -0.023475 30O 1dz2 0.000152 0.000004 -0.000403 -0.000346 -0.000388 0.000542 30O 1dxz 0.000036 0.000034 -0.001472 -0.001468 -0.000975 0.001651 30O 1dyz -0.000714 0.000026 -0.000882 -0.000806 -0.000834 0.001281 30O 1dx2y2 -0.000850 0.000067 0.000572 0.000554 0.000442 -0.000532 30O 1dxy 0.000232 0.000012 0.001665 0.001731 0.001197 -0.001668 30O 2dz2 0.001227 -0.000009 -0.000475 -0.000222 -0.000210 0.000464 30O 2dxz 0.000010 0.000015 -0.003067 -0.003503 -0.002166 0.003818 30O 2dyz -0.000750 0.000010 0.000228 0.000223 0.000577 -0.001066 30O 2dx2y2 -0.002414 0.000165 0.002672 0.002492 0.002277 -0.003227 30O 2dxy 0.001129 -0.000081 0.003073 0.003765 0.002399 -0.003768 30O 1f0 0.000067 -0.000002 0.000463 0.000601 0.000414 -0.000559 30O 1f+1 0.000162 -0.000005 0.000043 0.000088 -0.000024 -0.000079 30O 1f-1 0.000281 -0.000020 0.000271 0.000320 0.000154 -0.000379 30O 1f+2 0.000735 -0.000042 0.000261 0.000393 0.000210 -0.000324 30O 1f-2 -0.000110 0.000004 -0.000575 -0.000555 -0.000454 0.000687 30O 1f+3 0.000408 -0.000023 0.000156 0.000127 0.000145 -0.000157 30O 1f-3 0.000414 -0.000020 -0.000199 -0.000217 -0.000177 0.000235 31O 1s -0.013486 0.000914 0.013932 0.015369 -0.012388 0.018970 31O 2s -0.032220 0.002182 0.033255 0.036752 -0.029650 0.045416 31O 3s 0.048867 -0.003298 -0.048486 -0.054586 0.044510 -0.068387 31O 4s 0.063448 -0.004373 -0.081238 -0.086029 0.066272 -0.100302 31O 5s 0.046740 -0.002749 -0.059886 -0.067359 0.066982 -0.105198 31O 1pz -0.014129 0.001973 0.051946 0.054428 -0.033433 0.061854 31O 1px -0.008597 0.000776 -0.051559 -0.052903 0.047136 -0.067115 31O 1py 0.023847 -0.000929 -0.060047 -0.063856 0.045644 -0.061819 31O 2pz -0.012122 0.001690 0.041103 0.042722 -0.025512 0.048581 31O 2px -0.008595 0.000763 -0.037172 -0.038084 0.034485 -0.048509 31O 2py 0.020693 -0.000790 -0.048580 -0.051403 0.036671 -0.049545 31O 3pz -0.005548 0.000248 0.010701 0.015072 -0.011788 0.023500 31O 3px -0.006354 0.000350 -0.015512 -0.019682 0.012883 -0.017849 31O 3py 0.010198 -0.000911 -0.011146 -0.015166 0.015919 -0.023542 31O 1dz2 -0.000154 -0.000001 -0.000402 -0.000346 0.000389 -0.000543 31O 1dxz -0.000035 -0.000034 -0.001471 -0.001468 0.000975 -0.001654 31O 1dyz 0.000722 -0.000033 -0.000881 -0.000807 0.000834 -0.001283 31O 1dx2y2 0.000860 -0.000078 0.000571 0.000556 -0.000442 0.000534 31O 1dxy -0.000237 -0.000008 0.001662 0.001731 -0.001195 0.001670 31O 2dz2 -0.001245 0.000027 -0.000471 -0.000218 0.000209 -0.000456 31O 2dxz -0.000010 -0.000012 -0.003067 -0.003508 0.002168 -0.003829 31O 2dyz 0.000768 -0.000027 0.000226 0.000221 -0.000572 0.001062 31O 2dx2y2 0.002452 -0.000207 0.002671 0.002500 -0.002276 0.003231 31O 2dxy -0.001145 0.000095 0.003068 0.003767 -0.002399 0.003773 31O 1f0 0.000069 -0.000004 -0.000462 -0.000602 0.000414 -0.000561 31O 1f+1 0.000164 -0.000007 -0.000043 -0.000087 -0.000024 -0.000079 31O 1f-1 0.000285 -0.000024 -0.000271 -0.000319 0.000154 -0.000379 31O 1f+2 0.000746 -0.000053 -0.000261 -0.000393 0.000210 -0.000325 31O 1f-2 -0.000112 0.000005 0.000575 0.000556 -0.000455 0.000689 31O 1f+3 0.000414 -0.000029 -0.000156 -0.000128 0.000146 -0.000159 31O 1f-3 0.000420 -0.000026 0.000199 0.000218 -0.000178 0.000236 32O 1s -0.000071 0.000084 -0.000837 0.000025 0.000126 0.001035 32O 2s -0.000170 0.000204 -0.002092 0.000062 0.000317 0.002491 32O 3s 0.000259 -0.000354 0.004255 -0.000110 -0.000648 -0.003930 32O 4s 0.000339 -0.000205 0.000915 -0.000039 -0.000148 -0.004986 32O 5s 0.000381 -0.000885 0.010564 -0.000481 -0.001450 -0.006505 32O 1pz 0.000536 0.000627 -0.001315 0.020206 0.115031 -0.002714 32O 1px 0.000191 0.000264 -0.008552 0.007090 0.042285 -0.002359 32O 1py -0.000349 0.000235 0.001374 -0.001106 -0.007340 0.009067 32O 2pz 0.000532 0.000663 -0.000474 0.016526 0.094794 -0.002076 32O 2px 0.000253 0.000241 -0.008760 0.005752 0.034891 -0.002397 32O 2py -0.000390 0.000269 0.001421 -0.000883 -0.005973 0.007561 32O 3pz 0.000082 -0.000177 -0.001322 0.005009 0.039239 -0.001198 32O 3px -0.000292 0.000087 -0.000554 0.001900 0.014556 0.000994 32O 3py 0.000102 -0.000091 0.000999 -0.000369 -0.002938 0.004723 32O 1dz2 0.000008 0.000009 -0.000029 0.000271 0.001380 -0.000047 32O 1dxz -0.000009 -0.000008 0.000047 -0.000256 -0.001392 0.000077 32O 1dyz 0.000012 0.000018 -0.000062 0.000553 0.002773 -0.000083 32O 1dx2y2 0.000000 -0.000006 0.000032 -0.000081 -0.000450 -0.000077 32O 1dxy 0.000008 0.000004 -0.000141 0.000222 0.001143 -0.000038 32O 2dz2 -0.000001 -0.000058 0.000111 0.000579 0.002914 -0.000405 32O 2dxz 0.000045 0.000053 0.000211 -0.000464 -0.002685 0.000073 32O 2dyz 0.000073 0.000020 -0.000097 0.001326 0.006842 -0.000244 32O 2dx2y2 0.000053 -0.000003 0.000010 -0.000084 -0.000769 -0.000437 32O 2dxy -0.000067 0.000098 -0.000628 0.000534 0.002770 0.000337 32O 1f0 0.000001 -0.000003 0.000071 0.000080 0.000559 -0.000011 32O 1f+1 -0.000005 -0.000005 -0.000072 0.000100 0.000591 -0.000014 32O 1f-1 0.000003 -0.000000 0.000048 0.000075 0.000554 0.000007 32O 1f+2 0.000000 0.000008 -0.000062 0.000002 -0.000006 0.000011 32O 1f-2 0.000001 -0.000007 0.000062 -0.000138 -0.001004 0.000031 32O 1f+3 -0.000007 0.000003 -0.000060 0.000021 0.000218 -0.000011 32O 1f-3 0.000008 -0.000005 -0.000079 0.000056 0.000482 -0.000064 33O 1s -0.000779 -0.013668 0.014576 -0.014316 -0.016688 -0.014008 33O 2s -0.001862 -0.032656 0.034797 -0.034237 -0.039932 -0.033537 33O 3s 0.002832 0.049567 -0.050730 0.050838 0.059742 0.050492 33O 4s 0.003643 0.064278 -0.084886 0.080302 0.089811 0.073950 33O 5s 0.002201 0.046778 -0.066931 0.063842 0.095984 0.080855 33O 1pz -0.000789 -0.023983 0.071862 -0.066916 -0.061580 -0.057761 33O 1px 0.000130 -0.004595 -0.062565 0.056621 0.069149 0.053824 33O 1py -0.001929 -0.016018 0.020464 -0.019451 -0.016730 -0.006962 33O 2pz -0.000732 -0.020843 0.056885 -0.052840 -0.048055 -0.045753 33O 2px 0.000089 -0.005046 -0.045633 0.041257 0.050605 0.039164 33O 2py -0.001703 -0.014372 0.017794 -0.016751 -0.014970 -0.006449 33O 3pz -0.001018 -0.010069 0.013851 -0.016631 -0.018814 -0.020273 33O 3px -0.000049 -0.004476 -0.016287 0.020073 0.016606 0.013762 33O 3py -0.000287 -0.007649 0.002036 -0.002967 -0.006969 -0.003752 33O 1dz2 -0.000060 -0.000749 0.000094 -0.000064 -0.000169 -0.000191 33O 1dxz -0.000006 0.000326 -0.002214 0.001974 0.001980 0.001759 33O 1dyz -0.000034 -0.000596 0.000126 -0.000030 -0.000407 -0.000324 33O 1dx2y2 -0.000010 0.000390 0.001327 -0.001122 -0.001317 -0.000976 33O 1dxy 0.000048 0.000439 -0.000432 0.000460 0.000298 0.000175 33O 2dz2 -0.000179 -0.001980 -0.001440 0.001122 0.001777 0.001596 33O 2dxz 0.000066 0.000897 -0.003422 0.003716 0.002935 0.002958 33O 2dyz 0.000011 -0.000381 -0.001863 0.001912 0.002509 0.002027 33O 2dx2y2 0.000040 0.001545 0.003004 -0.002864 -0.002980 -0.002286 33O 2dxy 0.000080 0.001757 -0.000156 0.000547 0.000177 0.000147 33O 1f0 -0.000019 -0.000441 -0.000021 0.000021 0.000076 -0.000041 33O 1f+1 0.000033 0.000466 -0.000442 0.000435 0.000384 0.000415 33O 1f-1 -0.000024 -0.000467 0.000385 -0.000514 -0.000392 -0.000329 33O 1f+2 0.000020 0.000356 0.000393 -0.000321 -0.000391 -0.000344 33O 1f-2 0.000020 0.000351 -0.000230 0.000165 0.000249 0.000145 33O 1f+3 0.000021 0.000351 0.000193 -0.000207 -0.000201 -0.000177 33O 1f-3 0.000006 0.000171 -0.000119 0.000142 0.000120 0.000068 34O 1s -0.013167 0.000888 0.013988 0.015325 -0.012251 0.018919 34O 2s -0.031465 0.002121 0.033375 0.036633 -0.029294 0.045269 34O 3s 0.047837 -0.003211 -0.048462 -0.054211 0.043613 -0.067796 34O 4s 0.061600 -0.004226 -0.082442 -0.086897 0.067004 -0.101777 34O 5s 0.047419 -0.003010 -0.060931 -0.065948 0.065415 -0.105661 34O 1pz -0.013766 0.001945 0.006807 0.007874 0.004607 0.005627 34O 1px -0.008707 0.000797 0.087667 0.089679 -0.066579 0.104150 34O 1py 0.023374 -0.000903 -0.034583 -0.036624 0.022822 -0.029392 34O 2pz -0.012564 0.001745 0.006993 0.007869 0.002806 0.006579 34O 2px -0.006660 0.000663 0.066545 0.067914 -0.050256 0.078512 34O 2py 0.020813 -0.000851 -0.029260 -0.030646 0.019821 -0.025092 34O 3pz -0.006504 0.000060 0.000672 0.000006 -0.000589 0.006592 34O 3px -0.000199 0.000044 0.021310 0.027900 -0.018766 0.029905 34O 3py 0.010133 -0.000587 -0.005749 -0.007948 0.008550 -0.012986 34O 1dz2 0.000264 -0.000059 -0.001262 -0.001224 0.000894 -0.001556 34O 1dxz -0.000594 0.000054 -0.000202 -0.000167 0.000211 -0.000136 34O 1dyz 0.000153 0.000006 0.000215 0.000334 0.000076 -0.000070 34O 1dx2y2 0.000138 -0.000024 0.002088 0.002072 -0.001455 0.002225 34O 1dxy 0.000947 -0.000048 -0.000802 -0.000798 0.000663 -0.000988 34O 2dz2 -0.000053 -0.000045 -0.001485 -0.001643 0.000697 -0.001557 34O 2dxz -0.001721 0.000070 -0.001508 -0.001412 0.001337 -0.001896 34O 2dyz -0.000741 0.000065 0.001568 0.002044 -0.001479 0.002544 34O 2dx2y2 0.000514 -0.000071 0.004121 0.004664 -0.003158 0.004663 34O 2dxy 0.002312 -0.000170 0.000485 0.000064 -0.000703 0.001032 34O 1f0 0.000393 -0.000025 -0.000070 -0.000185 -0.000000 -0.000121 34O 1f+1 -0.000014 0.000004 -0.000493 -0.000545 0.000402 -0.000578 34O 1f-1 -0.000151 0.000006 0.000113 0.000095 -0.000104 0.000118 34O 1f+2 -0.000204 0.000013 -0.000146 -0.000263 0.000175 -0.000163 34O 1f-2 0.000288 -0.000021 -0.000186 -0.000254 0.000105 -0.000260 34O 1f+3 -0.000570 0.000037 -0.000232 -0.000185 0.000145 -0.000287 34O 1f-3 -0.000524 0.000039 0.000505 0.000544 -0.000392 0.000578 35O 1s -0.000759 -0.013244 0.014838 -0.014663 -0.017291 -0.014341 35O 2s -0.001815 -0.031659 0.035425 -0.035068 -0.041380 -0.034328 35O 3s 0.002774 0.048316 -0.051714 0.052088 0.062026 0.051581 35O 4s 0.003459 0.061082 -0.086719 0.082547 0.093310 0.076749 35O 5s 0.002785 0.045616 -0.060335 0.060565 0.089321 0.074504 35O 1pz -0.000748 -0.023737 0.027470 -0.026921 -0.017549 -0.020223 35O 1px 0.000096 -0.004945 0.084652 -0.078858 -0.090040 -0.075368 35O 1py -0.001931 -0.015949 0.049059 -0.046473 -0.050171 -0.032676 35O 2pz -0.000710 -0.021429 0.024305 -0.023488 -0.015953 -0.018149 35O 2px 0.000096 -0.003844 0.064492 -0.059800 -0.068084 -0.057190 35O 2py -0.001715 -0.014385 0.039394 -0.037140 -0.040226 -0.025760 35O 3pz -0.000745 -0.010255 0.003481 -0.004792 -0.009071 -0.012150 35O 3px -0.000052 0.000019 0.022948 -0.026706 -0.027958 -0.024869 35O 3py -0.000078 -0.006146 0.011704 -0.012958 -0.018136 -0.013365 35O 1dz2 -0.000040 -0.000055 -0.001405 0.001307 0.001211 0.001065 35O 1dxz -0.000048 -0.000864 0.000361 -0.000371 -0.000312 -0.000346 35O 1dyz -0.000007 -0.000544 0.000006 0.000080 -0.000224 -0.000298 35O 1dx2y2 0.000014 0.000298 0.001522 -0.001341 -0.001518 -0.001260 35O 1dxy -0.000057 -0.000465 0.001551 -0.001373 -0.001645 -0.001242 35O 2dz2 -0.000023 0.000307 -0.003312 0.003471 0.003347 0.003197 35O 2dxz -0.000191 -0.002648 -0.000706 0.000164 0.000927 0.000709 35O 2dyz 0.000001 -0.000321 -0.001939 0.002030 0.002529 0.001994 35O 2dx2y2 0.000010 0.001112 0.003554 -0.003322 -0.003556 -0.002851 35O 2dxy -0.000037 -0.001026 0.002225 -0.002322 -0.001898 -0.001426 35O 1f0 0.000030 0.000420 -0.000238 0.000235 0.000235 0.000215 35O 1f+1 -0.000017 -0.000351 -0.000271 0.000265 0.000322 0.000200 35O 1f-1 -0.000012 -0.000209 0.000008 -0.000163 0.000011 -0.000055 35O 1f+2 -0.000010 -0.000204 0.000031 0.000005 0.000007 -0.000064 35O 1f-2 -0.000037 -0.000625 0.000514 -0.000550 -0.000536 -0.000460 35O 1f+3 -0.000022 -0.000454 -0.000053 0.000019 0.000031 0.000109 35O 1f-3 -0.000000 0.000065 -0.000751 0.000744 0.000813 0.000634 72 73 74 75 76 77 -0.52477 -0.52165 -0.49337 -0.48770 -0.46737 -0.46609 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s -0.000031 -0.000027 0.004452 -0.000118 -0.000100 0.000024 0Rh 2s 0.000118 0.000099 -0.016854 0.000450 0.000375 -0.000090 0Rh 3s -0.000103 -0.000096 0.015278 -0.000401 -0.000346 0.000081 0Rh 4s -0.000499 -0.000414 0.070918 -0.001896 -0.001576 0.000383 0Rh 5s 0.000392 0.000275 -0.053341 0.001447 0.001120 -0.000322 0Rh 6s 0.000732 0.000763 -0.111335 0.002917 0.002742 -0.000441 0Rh 7s -0.000557 -0.001216 0.146568 -0.003906 -0.001786 -0.000332 0Rh 8s -0.001125 -0.002179 0.029406 -0.000647 -0.008480 -0.000212 0Rh 1pz 0.002274 0.004056 0.000535 -0.000071 0.003162 0.012721 0Rh 1px 0.000694 0.001421 -0.001762 0.000033 -0.001514 0.004580 0Rh 1py -0.000100 -0.000269 -0.000420 0.000030 0.013520 -0.002496 0Rh 2pz -0.007653 -0.013686 -0.001789 0.000233 -0.010678 -0.042955 0Rh 2px -0.002336 -0.004792 0.005891 -0.000110 0.005119 -0.015467 0Rh 2py 0.000338 0.000907 0.001402 -0.000103 -0.045648 0.008428 0Rh 3pz 0.005766 0.010842 0.001140 -0.000080 0.008442 0.033853 0Rh 3px 0.001768 0.003757 -0.003658 0.000081 -0.004151 0.012205 0Rh 3py -0.000255 -0.000701 -0.000827 0.000113 0.035919 -0.006619 0Rh 4pz 0.010596 0.017546 0.003206 -0.000646 0.013932 0.056455 0Rh 4px 0.003199 0.006278 -0.010948 0.000157 -0.006310 0.020246 0Rh 4py -0.000460 -0.001234 -0.002768 0.000026 0.060124 -0.011164 0Rh 5pz -0.001076 -0.002188 -0.001440 0.000513 -0.001362 -0.006012 0Rh 5px -0.000259 -0.000977 0.005412 -0.000014 0.000062 -0.001964 0Rh 5py -0.000016 0.000308 0.001582 0.000130 -0.006435 0.001341 0Rh 6pz -0.015135 0.011435 0.010045 -0.000618 0.002678 0.005423 0Rh 6px -0.005227 0.005800 -0.028906 0.000067 -0.000583 0.000353 0Rh 6py 0.002245 -0.002617 -0.007119 0.000604 0.002745 -0.001444 0Rh 1dz2 -0.002029 0.002241 -0.010766 -0.018102 -0.001024 -0.003847 0Rh 1dxz 0.005435 -0.002813 -0.013807 0.001934 0.001892 0.006128 0Rh 1dyz 0.003893 0.000710 -0.003830 -0.045448 -0.002727 0.001834 0Rh 1dx2y2 0.002080 -0.000867 0.020423 -0.007339 -0.001539 0.002578 0Rh 1dxy 0.000751 0.000658 0.007742 -0.018088 0.008790 -0.001066 0Rh 2dz2 -0.000007 -0.000010 0.000232 0.000362 0.000031 0.000104 0Rh 2dxz -0.000053 0.000016 0.000299 -0.000024 -0.000049 -0.000168 0Rh 2dyz -0.000093 0.000005 0.000077 0.000925 0.000074 -0.000052 0Rh 2dx2y2 -0.000022 0.000007 -0.000441 0.000158 0.000051 -0.000077 0Rh 2dxy -0.000028 0.000001 -0.000164 0.000362 -0.000243 0.000027 0Rh 3dz2 0.003093 -0.003302 0.015106 0.025579 0.001436 0.005452 0Rh 3dxz -0.007952 0.004150 0.019415 -0.002782 -0.002703 -0.008700 0Rh 3dyz -0.005419 -0.001060 0.005402 0.064175 0.003869 -0.002596 0Rh 3dx2y2 -0.003029 0.001271 -0.028639 0.010348 0.002157 -0.003629 0Rh 3dxy -0.000997 -0.000982 -0.010912 0.025578 -0.012461 0.001520 0Rh 4dz2 0.003280 -0.003988 0.021356 0.035611 0.002032 0.007496 0Rh 4dxz -0.009746 0.004994 0.027318 -0.003678 -0.003631 -0.011871 0Rh 4dyz -0.007788 -0.001190 0.007536 0.089449 0.005313 -0.003531 0Rh 4dx2y2 -0.003770 0.001577 -0.040585 0.014481 0.003049 -0.005058 0Rh 4dxy -0.001648 -0.001123 -0.015243 0.035550 -0.017083 0.002058 0Rh 5dz2 0.004863 -0.004580 0.017259 0.028132 0.001434 0.006329 0Rh 5dxz -0.010935 0.005859 0.022313 -0.003316 -0.003455 -0.010745 0Rh 5dyz -0.006036 -0.001739 0.006118 0.070711 0.004188 -0.003722 0Rh 5dx2y2 -0.004092 0.001579 -0.032627 0.011465 0.002733 -0.004299 0Rh 5dxy -0.000855 -0.001535 -0.012525 0.028316 -0.014899 0.001747 0Rh 1f0 0.000481 0.000160 -0.000425 -0.000333 -0.002869 0.001459 0Rh 1f+1 0.000856 -0.001390 0.000384 0.000428 -0.000849 -0.001793 0Rh 1f-1 -0.000203 -0.001447 0.000102 -0.000532 -0.004721 -0.003368 0Rh 1f+2 -0.000291 0.002427 0.000514 -0.000304 -0.000111 0.005353 0Rh 1f-2 -0.000238 0.000413 0.000256 0.001057 -0.003887 0.001322 0Rh 1f+3 0.000193 -0.001291 0.000650 -0.000169 0.001910 -0.003090 0Rh 1f-3 0.000018 0.000196 0.000390 -0.000571 -0.001908 0.000604 1Rh 1s -0.000033 0.000022 -0.004456 0.000118 -0.000094 0.000033 1Rh 2s 0.000129 -0.000077 0.016868 -0.000452 0.000350 -0.000125 1Rh 3s -0.000112 0.000077 -0.015291 0.000403 -0.000323 0.000113 1Rh 4s -0.000542 0.000322 -0.070978 0.001902 -0.001472 0.000528 1Rh 5s 0.000425 -0.000205 0.053390 -0.001453 0.001045 -0.000430 1Rh 6s 0.000796 -0.000626 0.111414 -0.002923 0.002570 -0.000677 1Rh 7s -0.000669 0.001091 -0.146604 0.003865 -0.001531 -0.000035 1Rh 8s -0.000963 0.002055 -0.029438 0.000736 -0.008358 0.000177 1Rh 1pz -0.002357 0.004006 0.000505 -0.000091 -0.003162 -0.012729 1Rh 1px -0.000758 0.001410 -0.001763 0.000027 0.001519 -0.004572 1Rh 1py 0.000274 -0.000317 -0.000435 0.000000 -0.013527 0.002494 1Rh 2pz 0.007936 -0.013517 -0.001690 0.000301 0.010677 0.042982 1Rh 2px 0.002552 -0.004754 0.005895 -0.000091 -0.005134 0.015437 1Rh 2py -0.000923 0.001068 0.001452 -0.000003 0.045669 -0.008420 1Rh 3pz -0.005991 0.010714 0.001059 -0.000135 -0.008443 -0.033874 1Rh 3px -0.001939 0.003729 -0.003663 0.000065 0.004160 -0.012183 1Rh 3py 0.000720 -0.000819 -0.000868 0.000035 -0.035937 0.006609 1Rh 4pz -0.010952 0.017315 0.003086 -0.000732 -0.013924 -0.056484 1Rh 4px -0.003479 0.006220 -0.010946 0.000137 0.006336 -0.020200 1Rh 4py 0.001204 -0.001464 -0.002827 -0.000105 -0.060142 0.011163 1Rh 5pz 0.001098 -0.002172 -0.001450 0.000520 0.001354 0.006004 1Rh 5px 0.000293 -0.000963 0.005404 -0.000023 -0.000070 0.001951 1Rh 5py -0.000053 0.000347 0.001579 0.000144 0.006419 -0.001350 1Rh 6pz 0.015152 0.011874 0.010148 -0.000709 -0.002799 -0.005452 1Rh 6px 0.005078 0.005945 -0.028901 0.000122 0.000571 -0.000356 1Rh 6py -0.002204 -0.002619 -0.007150 0.000480 -0.002692 0.001392 1Rh 1dz2 -0.001976 -0.002268 0.010716 0.018068 -0.001064 -0.003868 1Rh 1dxz 0.005421 0.002958 0.013767 -0.001935 0.001830 0.006104 1Rh 1dyz 0.003907 -0.000681 0.003814 0.045420 -0.002847 0.001776 1Rh 1dx2y2 0.002071 0.000869 -0.020347 0.007318 -0.001537 0.002614 1Rh 1dxy 0.000815 -0.000516 -0.007710 0.018102 0.008730 -0.001127 1Rh 2dz2 -0.000007 0.000010 -0.000232 -0.000362 0.000032 0.000105 1Rh 2dxz -0.000053 -0.000017 -0.000299 0.000024 -0.000048 -0.000168 1Rh 2dyz -0.000093 -0.000006 -0.000077 -0.000925 0.000077 -0.000051 1Rh 2dx2y2 -0.000022 -0.000007 0.000440 -0.000157 0.000051 -0.000078 1Rh 2dxy -0.000028 -0.000003 0.000163 -0.000363 -0.000242 0.000028 1Rh 3dz2 0.003013 0.003342 -0.015031 -0.025528 0.001493 0.005483 1Rh 3dxz -0.007935 -0.004366 -0.019355 0.002783 -0.002614 -0.008665 1Rh 3dyz -0.005438 0.001023 -0.005379 -0.064131 0.004038 -0.002513 1Rh 3dx2y2 -0.003017 -0.001275 0.028524 -0.010318 0.002155 -0.003680 1Rh 3dxy -0.001093 0.000774 0.010865 -0.025596 -0.012375 0.001608 1Rh 4dz2 0.003190 0.004029 -0.021255 -0.035545 0.002108 0.007538 1Rh 4dxz -0.009716 -0.005245 -0.027236 0.003679 -0.003512 -0.011825 1Rh 4dyz -0.007819 0.001124 -0.007501 -0.089389 0.005550 -0.003419 1Rh 4dx2y2 -0.003750 -0.001575 0.040432 -0.014434 0.003045 -0.005132 1Rh 4dxy -0.001753 0.000866 0.015179 -0.035576 -0.016965 0.002174 1Rh 5dz2 0.004749 0.004639 -0.017196 -0.028078 0.001512 0.006372 1Rh 5dxz -0.010920 -0.006175 -0.022280 0.003319 -0.003345 -0.010700 1Rh 5dyz -0.006050 0.001709 -0.006097 -0.070693 0.004387 -0.003613 1Rh 5dx2y2 -0.004087 -0.001593 0.032546 -0.011450 0.002724 -0.004349 1Rh 5dxy -0.001002 0.001249 0.012488 -0.028346 -0.014802 0.001857 1Rh 1f0 -0.000533 0.000151 -0.000422 -0.000329 0.002869 -0.001459 1Rh 1f+1 -0.000834 -0.001405 0.000391 0.000433 0.000850 0.001794 1Rh 1f-1 0.000175 -0.001439 0.000111 -0.000516 0.004727 0.003368 1Rh 1f+2 0.000231 0.002441 0.000507 -0.000308 0.000105 -0.005353 1Rh 1f-2 0.000161 0.000410 0.000260 0.001065 0.003885 -0.001321 1Rh 1f+3 -0.000126 -0.001289 0.000653 -0.000167 -0.001907 0.003088 1Rh 1f-3 -0.000073 0.000173 0.000390 -0.000570 0.001910 -0.000598 2C 1s 0.001577 -0.007415 0.000533 0.000375 0.000517 0.000338 2C 2s 0.003403 -0.015997 0.001143 0.000808 0.001135 0.000746 2C 3s -0.005087 0.023068 -0.001757 -0.001336 -0.001793 -0.001203 2C 4s -0.008389 0.044098 -0.002952 -0.001713 -0.002854 -0.001830 2C 5s -0.003376 -0.003885 -0.003362 -0.005319 -0.021255 -0.018013 2C 1pz 0.007536 -0.033286 0.016478 0.015513 0.021261 0.019273 2C 1px -0.001785 -0.006335 -0.043101 -0.042650 -0.054275 -0.054844 2C 1py 0.003697 -0.021097 -0.006322 -0.006936 -0.008778 -0.009094 2C 2pz 0.004762 -0.019444 0.011392 0.010807 0.014612 0.013625 2C 2px -0.000906 -0.003337 -0.030725 -0.030560 -0.040347 -0.040934 2C 2py 0.002166 -0.011677 -0.004617 -0.005187 -0.007391 -0.007179 2C 3pz 0.001064 -0.008200 0.003688 0.003437 0.003174 0.001988 2C 3px -0.000817 -0.004017 -0.013839 -0.013552 -0.016926 -0.016160 2C 3py 0.000874 -0.005379 -0.002899 -0.003247 -0.005388 -0.004610 2C 1dz2 0.000366 -0.001431 0.000993 0.000897 0.001042 0.000962 2C 1dxz 0.000031 -0.000619 -0.000695 -0.000616 -0.000460 -0.000465 2C 1dyz 0.000364 -0.002042 -0.000486 -0.000552 -0.000752 -0.000854 2C 1dx2y2 -0.000221 0.000638 -0.001270 -0.001255 -0.001682 -0.001711 2C 1dxy -0.000011 -0.000409 -0.000776 -0.000709 -0.000701 -0.000662 2C 2dz2 0.000109 -0.000037 0.001263 0.001235 0.001218 0.001191 2C 2dxz -0.000177 -0.000480 -0.002304 -0.002205 -0.002555 -0.002384 2C 2dyz 0.000243 0.000490 0.000051 0.000029 0.000141 0.000244 2C 2dx2y2 0.000024 0.000414 -0.000088 0.000084 0.000340 0.000360 2C 2dxy -0.000040 0.000134 -0.001771 -0.001673 -0.001657 -0.001783 2C 1f0 0.000013 0.000137 0.000787 0.000756 0.000807 0.000817 2C 1f+1 -0.000028 0.000056 -0.000804 -0.000746 -0.000812 -0.000843 2C 1f-1 -0.000018 0.000221 0.000431 0.000401 0.000432 0.000415 2C 1f+2 0.000046 -0.000478 -0.000258 -0.000245 -0.000243 -0.000260 2C 1f-2 -0.000157 0.000499 -0.001169 -0.001084 -0.001242 -0.001197 2C 1f+3 0.000041 -0.000395 -0.000501 -0.000482 -0.000533 -0.000494 2C 1f-3 0.000049 -0.000042 0.000219 0.000196 0.000189 0.000186 3C 1s -0.000859 -0.006076 0.000071 -0.000189 -0.000033 0.000125 3C 2s -0.001851 -0.013126 0.000153 -0.000412 -0.000090 0.000292 3C 3s 0.002683 0.019356 -0.000278 0.000738 0.000187 -0.000639 3C 4s 0.004813 0.034108 -0.000455 0.000757 0.000082 0.000316 3C 5s -0.000052 0.003726 -0.000819 0.005866 0.016184 -0.009671 3C 1pz -0.001190 -0.015668 0.013307 -0.014867 -0.016210 0.018214 3C 1px -0.003996 -0.011401 -0.041428 0.045193 0.054626 -0.056367 3C 1py 0.003150 0.026484 -0.007314 0.008889 0.009655 -0.010172 3C 2pz -0.000847 -0.010150 0.009458 -0.010515 -0.011875 0.013606 3C 2px -0.002455 -0.006734 -0.029694 0.032594 0.040910 -0.042109 3C 2py 0.002403 0.015145 -0.005178 0.006159 0.006973 -0.007787 3C 3pz -0.000347 -0.000494 0.003878 -0.003733 -0.002281 0.004013 3C 3px -0.001302 -0.004144 -0.013646 0.014960 0.017124 -0.017507 3C 3py 0.000218 0.007391 -0.002224 0.001787 -0.000368 -0.002177 3C 1dz2 0.000079 0.000293 0.000410 -0.000402 -0.000358 0.000419 3C 1dxz -0.000083 -0.000565 0.000528 -0.000663 -0.001053 0.001064 3C 1dyz 0.000173 0.001438 0.000019 -0.000036 -0.000291 0.000289 3C 1dx2y2 0.000075 0.001076 -0.000953 0.001032 0.001038 -0.001118 3C 1dxy 0.000247 0.001027 0.001416 -0.001456 -0.001580 0.001551 3C 2dz2 0.000081 -0.000296 0.000614 -0.000642 -0.000549 0.000535 3C 2dxz -0.000194 -0.000392 -0.000886 0.001017 0.001251 -0.001017 3C 2dyz 0.000153 0.000046 -0.000842 0.000926 0.000967 -0.001118 3C 2dx2y2 0.000070 0.000242 -0.001361 0.001365 0.001315 -0.001389 3C 2dxy 0.000195 0.000196 0.002240 -0.002302 -0.002185 0.002151 3C 1f0 0.000013 0.000145 0.000033 -0.000032 -0.000024 0.000051 3C 1f+1 0.000017 0.000048 0.000097 -0.000098 -0.000059 0.000044 3C 1f-1 0.000019 0.000260 -0.000505 0.000526 0.000529 -0.000582 3C 1f+2 -0.000105 -0.000502 -0.000801 0.000825 0.000816 -0.000856 3C 1f-2 -0.000016 -0.000295 0.000729 -0.000753 -0.000779 0.000805 3C 1f+3 -0.000047 0.000055 -0.000728 0.000754 0.000807 -0.000784 3C 1f-3 -0.000026 -0.000025 -0.000904 0.000943 0.000970 -0.000986 4C 1s -0.003233 0.017124 -0.000754 -0.000449 -0.000444 -0.000337 4C 2s -0.007036 0.037317 -0.001663 -0.000998 -0.000982 -0.000748 4C 3s 0.010725 -0.061549 0.002530 0.001705 0.001558 0.001470 4C 4s 0.022039 -0.090335 0.006696 0.003346 0.003672 0.000914 4C 5s 0.007501 -0.001298 0.004958 0.005073 0.016364 0.009123 4C 1pz 0.002688 0.003580 0.036481 0.034173 0.035760 0.035851 4C 1px -0.013237 0.004286 -0.115330 -0.105743 -0.113818 -0.111399 4C 1py -0.003454 0.006024 -0.021193 -0.019499 -0.023335 -0.019906 4C 2pz 0.001849 0.008300 0.020483 0.019710 0.022606 0.022729 4C 2px -0.007138 0.001250 -0.063275 -0.060469 -0.073341 -0.072773 4C 2py -0.001703 0.006827 -0.011411 -0.011208 -0.015818 -0.013421 4C 3pz 0.000643 -0.007813 -0.000105 -0.001694 -0.009716 -0.010563 4C 3px -0.001396 -0.001061 -0.007463 -0.004630 0.005824 0.004266 4C 3py -0.000321 -0.004870 -0.003320 -0.002660 -0.004065 -0.005022 4C 1dz2 0.000246 0.000186 0.001262 0.000999 0.000930 0.001143 4C 1dxz -0.000722 0.000757 -0.002155 -0.001688 -0.001632 -0.001924 4C 1dyz 0.000064 -0.000421 0.000128 0.000105 0.000195 -0.000099 4C 1dx2y2 0.000214 -0.001037 -0.000092 -0.000086 0.000172 -0.000347 4C 1dxy -0.000262 -0.000514 -0.001547 -0.001233 -0.001771 -0.000868 4C 2dz2 -0.000687 -0.001680 -0.004820 -0.003990 -0.001457 -0.001225 4C 2dxz 0.000097 -0.001363 0.008249 0.007309 0.004179 0.003643 4C 2dyz 0.000167 -0.002690 -0.000421 -0.000490 0.000342 -0.000309 4C 2dx2y2 0.000931 -0.000361 0.000381 0.000219 -0.000245 -0.001066 4C 2dxy 0.001491 -0.001566 0.006521 0.005606 0.002418 0.002800 4C 1f0 -0.000109 0.000469 -0.001321 -0.001251 -0.001191 -0.001038 4C 1f+1 -0.000334 0.000931 0.001000 0.000960 0.000863 0.000728 4C 1f-1 -0.000150 0.000982 0.000120 0.000171 0.000455 0.000382 4C 1f+2 0.000343 -0.001079 0.001630 0.001570 0.001831 0.001685 4C 1f-2 -0.000132 0.000228 0.000754 0.000697 0.000185 0.000276 4C 1f+3 0.000065 0.000115 0.001867 0.001790 0.001768 0.001999 4C 1f-3 -0.000134 0.000578 0.001035 0.001065 0.001392 0.001414 5C 1s 0.001799 0.014046 0.000261 -0.000037 -0.000100 0.000060 5C 2s 0.003907 0.030614 0.000575 -0.000090 -0.000233 0.000146 5C 3s -0.005503 -0.050911 -0.000494 -0.000272 -0.000349 -0.000002 5C 4s -0.014695 -0.071506 -0.004189 0.002819 0.005647 -0.002050 5C 5s -0.004018 -0.000903 0.002225 -0.004424 -0.002078 0.007038 5C 1pz 0.004028 0.002140 0.035939 -0.036068 -0.036070 0.037506 5C 1px -0.010047 -0.001859 -0.108817 0.111428 0.110864 -0.113322 5C 1py -0.002879 -0.006521 -0.020944 0.021238 0.023833 -0.022603 5C 2pz 0.001771 0.002822 0.019906 -0.020849 -0.022951 0.024743 5C 2px -0.006136 0.003074 -0.060948 0.064986 0.073176 -0.074569 5C 2py -0.000662 -0.007375 -0.011071 0.011607 0.014469 -0.014539 5C 3pz 0.000163 -0.004145 0.001813 0.000019 0.007954 -0.002989 5C 3px -0.001623 0.001070 -0.006062 0.004918 -0.002902 0.006461 5C 3py 0.000140 0.002197 -0.000798 -0.001806 -0.010518 0.002593 5C 1dz2 0.000285 0.000634 0.000799 -0.000687 -0.000441 0.000913 5C 1dxz -0.000157 0.000508 -0.000970 0.000879 0.000476 -0.001249 5C 1dyz -0.000132 0.000493 -0.000936 0.000817 0.000862 -0.000807 5C 1dx2y2 -0.000405 -0.000745 -0.001280 0.001139 0.001153 -0.001140 5C 1dxy 0.000380 -0.000072 0.002023 -0.001793 -0.002113 0.001456 5C 2dz2 0.000476 -0.000340 -0.002629 0.002491 0.000970 -0.000928 5C 2dxz 0.000763 -0.000420 0.004411 -0.004484 -0.003104 0.001953 5C 2dyz 0.000666 0.002648 0.003729 -0.003558 -0.001862 0.001795 5C 2dx2y2 -0.000581 0.001059 0.004048 -0.003855 -0.000662 0.001401 5C 2dxy -0.001199 0.000453 -0.007649 0.007477 0.003233 -0.003632 5C 1f0 -0.000013 -0.000165 -0.001211 0.001302 0.001493 -0.001416 5C 1f+1 0.000160 0.000427 0.000923 -0.001007 -0.001280 0.001098 5C 1f-1 -0.000074 -0.000012 0.000187 -0.000180 -0.000003 -0.000123 5C 1f+2 -0.000079 -0.000580 0.001583 -0.001685 -0.001465 0.001456 5C 1f-2 -0.000081 -0.000790 0.000419 -0.000519 -0.000917 0.001078 5C 1f+3 0.000241 0.000819 0.001906 -0.002021 -0.001835 0.002030 5C 1f-3 -0.000233 -0.000604 0.001092 -0.001147 -0.000785 0.000924 6C 1s 0.002786 -0.014041 -0.000279 0.000052 -0.000094 0.000046 6C 2s 0.006057 -0.030602 -0.000614 0.000121 -0.000220 0.000114 6C 3s -0.009041 0.050888 0.000537 0.000235 -0.000389 0.000070 6C 4s -0.019928 0.071493 0.004376 -0.002932 0.005694 -0.002036 6C 5s -0.004223 0.000877 -0.002112 0.004356 -0.002131 0.007097 6C 1pz -0.004197 0.002118 0.035999 -0.036077 0.036152 -0.037506 6C 1px 0.010043 -0.001946 -0.108756 0.111274 -0.110949 0.113395 6C 1py 0.003098 -0.006541 -0.020948 0.021224 -0.023823 0.022493 6C 2pz -0.001972 0.002789 0.019920 -0.020844 0.022995 -0.024738 6C 2px 0.006018 0.003089 -0.060891 0.064882 -0.073244 0.074692 6C 2py 0.000993 -0.007388 -0.011045 0.011591 -0.014432 0.014448 6C 3pz 0.000250 -0.004271 0.001781 0.000005 -0.008028 0.002965 6C 3px 0.001791 0.001181 -0.006058 0.004967 0.002829 -0.006319 6C 3py -0.000755 0.002416 -0.000751 -0.001781 0.010639 -0.002581 6C 1dz2 0.000328 -0.000631 -0.000801 0.000689 -0.000443 0.000917 6C 1dxz -0.000119 -0.000509 0.000968 -0.000879 0.000477 -0.001251 6C 1dyz -0.000093 -0.000493 0.000936 -0.000816 0.000863 -0.000807 6C 1dx2y2 -0.000457 0.000746 0.001281 -0.001138 0.001154 -0.001142 6C 1dxy 0.000375 0.000070 -0.002021 0.001787 -0.002113 0.001456 6C 2dz2 0.000550 0.000340 0.002618 -0.002482 0.000948 -0.000913 6C 2dxz 0.000780 0.000407 -0.004433 0.004488 -0.003132 0.001962 6C 2dyz 0.000815 -0.002653 -0.003738 0.003568 -0.001864 0.001793 6C 2dx2y2 -0.000561 -0.001058 -0.004025 0.003843 -0.000635 0.001365 6C 2dxy -0.001153 -0.000467 0.007659 -0.007482 0.003256 -0.003627 6C 1f0 0.000024 -0.000165 -0.001212 0.001301 -0.001496 0.001417 6C 1f+1 -0.000192 0.000428 0.000923 -0.001005 0.001281 -0.001100 6C 1f-1 0.000080 -0.000010 0.000187 -0.000180 0.000002 0.000123 6C 1f+2 0.000113 -0.000580 0.001583 -0.001683 0.001469 -0.001459 6C 1f-2 0.000141 -0.000791 0.000414 -0.000515 0.000915 -0.001078 6C 1f+3 -0.000303 0.000819 0.001908 -0.002021 0.001839 -0.002034 6C 1f-3 0.000290 -0.000605 0.001087 -0.001142 0.000781 -0.000919 7C 1s -0.003335 -0.017219 0.000764 0.000457 -0.000437 -0.000335 7C 2s -0.007257 -0.037525 0.001682 0.001016 -0.000968 -0.000744 7C 3s 0.011062 0.061895 -0.002550 -0.001729 0.001537 0.001459 7C 4s 0.022738 0.090802 -0.006822 -0.003417 0.003622 0.000920 7C 5s 0.007500 0.001595 -0.005072 -0.005166 0.016540 0.009311 7C 1pz -0.002548 0.003444 0.036332 0.034002 -0.036022 -0.036033 7C 1px 0.013105 0.004759 -0.114981 -0.105347 0.114186 0.111701 7C 1py 0.003327 0.006167 -0.021084 -0.019403 0.023272 0.019822 7C 2pz -0.001819 0.008267 0.020424 0.019634 -0.022821 -0.022881 7C 2px 0.007195 0.001450 -0.063013 -0.060237 0.073571 0.072925 7C 2py 0.001641 0.006940 -0.011305 -0.011138 0.015753 0.013330 7C 3pz -0.000764 -0.007659 -0.000123 -0.001609 0.009718 0.010560 7C 3px 0.001569 -0.000984 -0.007478 -0.004689 -0.005718 -0.004171 7C 3py 0.000182 -0.004744 -0.003339 -0.002651 0.004141 0.005106 7C 1dz2 0.000242 -0.000181 -0.001255 -0.000992 0.000933 0.001144 7C 1dxz -0.000723 -0.000781 0.002143 0.001678 -0.001632 -0.001924 7C 1dyz 0.000069 0.000424 -0.000132 -0.000107 0.000199 -0.000094 7C 1dx2y2 0.000223 0.001044 0.000088 0.000084 0.000171 -0.000347 7C 1dxy -0.000259 0.000501 0.001547 0.001231 -0.001777 -0.000875 7C 2dz2 -0.000713 0.001653 0.004838 0.003992 -0.001491 -0.001257 7C 2dxz 0.000036 0.001400 -0.008249 -0.007299 0.004222 0.003687 7C 2dyz 0.000203 0.002715 0.000427 0.000492 0.000339 -0.000311 7C 2dx2y2 0.000932 0.000344 -0.000406 -0.000236 -0.000234 -0.001051 7C 2dxy 0.001484 0.001614 -0.006520 -0.005591 0.002427 0.002812 7C 1f0 0.000113 0.000464 -0.001319 -0.001248 0.001198 0.001043 7C 1f+1 0.000341 0.000933 0.000998 0.000958 -0.000866 -0.000730 7C 1f-1 0.000155 0.000985 0.000120 0.000171 -0.000460 -0.000387 7C 1f+2 -0.000351 -0.001091 0.001626 0.001566 -0.001838 -0.001690 7C 1f-2 0.000142 0.000232 0.000753 0.000695 -0.000188 -0.000277 7C 1f+3 -0.000068 0.000114 0.001862 0.001785 -0.001778 -0.002006 7C 1f-3 0.000146 0.000585 0.001025 0.001058 -0.001390 -0.001411 8C 1s -0.001284 0.006074 -0.000068 0.000188 -0.000040 0.000141 8C 2s -0.002768 0.013121 -0.000144 0.000409 -0.000103 0.000326 8C 3s 0.004032 -0.019346 0.000267 -0.000739 0.000213 -0.000697 8C 4s 0.007198 -0.034108 0.000449 -0.000743 0.000112 0.000245 8C 5s -0.000434 -0.003505 0.000725 -0.005744 0.016406 -0.009755 8C 1pz 0.002214 -0.015663 0.013298 -0.014847 0.016264 -0.018307 8C 1px 0.004715 -0.011422 -0.041420 0.045143 -0.054651 0.056331 8C 1py -0.004957 0.026445 -0.007264 0.008848 -0.009690 0.010287 8C 2pz 0.001479 -0.010138 0.009432 -0.010485 0.011891 -0.013651 8C 2px 0.002885 -0.006734 -0.029687 0.032554 -0.040928 0.042085 8C 2py -0.003489 0.015115 -0.005131 0.006127 -0.006975 0.007859 8C 3pz 0.000550 -0.000542 0.003906 -0.003761 0.002308 -0.004052 8C 3px 0.001584 -0.004247 -0.013631 0.014915 -0.017117 0.017437 8C 3py -0.000776 0.007392 -0.002203 0.001769 0.000417 0.002185 8C 1dz2 0.000102 -0.000293 -0.000431 0.000424 -0.000386 0.000448 8C 1dxz -0.000121 0.000564 -0.000521 0.000655 -0.001047 0.001057 8C 1dyz 0.000270 -0.001437 -0.000033 0.000050 -0.000306 0.000300 8C 1dx2y2 0.000148 -0.001074 0.000964 -0.001044 0.001058 -0.001142 8C 1dxy 0.000313 -0.001028 -0.001405 0.001442 -0.001563 0.001530 8C 2dz2 0.000074 0.000294 -0.000621 0.000646 -0.000554 0.000536 8C 2dxz -0.000211 0.000401 0.000893 -0.001021 0.001257 -0.001020 8C 2dyz 0.000153 -0.000031 0.000839 -0.000925 0.000972 -0.001125 8C 2dx2y2 0.000105 -0.000233 0.001351 -0.001354 0.001303 -0.001381 8C 2dxy 0.000214 -0.000201 -0.002246 0.002304 -0.002195 0.002156 8C 1f0 -0.000022 0.000146 0.000035 -0.000034 0.000024 -0.000051 8C 1f+1 -0.000021 0.000040 0.000098 -0.000100 0.000062 -0.000047 8C 1f-1 -0.000032 0.000257 -0.000504 0.000525 -0.000530 0.000582 8C 1f+2 0.000139 -0.000500 -0.000804 0.000827 -0.000818 0.000858 8C 1f-2 0.000041 -0.000300 0.000726 -0.000749 0.000778 -0.000804 8C 1f+3 0.000044 0.000050 -0.000728 0.000753 -0.000808 0.000784 8C 1f-3 0.000024 -0.000031 -0.000904 0.000941 -0.000970 0.000986 9C 1s 0.001620 0.007460 -0.000536 -0.000380 0.000507 0.000330 9C 2s 0.003496 0.016095 -0.001149 -0.000817 0.001114 0.000730 9C 3s -0.005219 -0.023211 0.001764 0.001350 -0.001762 -0.001181 9C 4s -0.008638 -0.044346 0.002957 0.001717 -0.002765 -0.001760 9C 5s -0.003218 0.003467 0.003387 0.005314 -0.021483 -0.018252 9C 1pz -0.007667 -0.033449 0.016422 0.015465 -0.021184 -0.019204 9C 1px 0.001721 -0.006209 -0.042976 -0.042495 0.054519 0.055037 9C 1py -0.003884 -0.021312 -0.006258 -0.006868 0.008851 0.009138 9C 2pz -0.004824 -0.019548 0.011365 0.010780 -0.014571 -0.013588 9C 2px 0.000872 -0.003267 -0.030615 -0.030435 0.040505 0.041054 9C 2py -0.002313 -0.011777 -0.004534 -0.005108 0.007396 0.007164 9C 3pz -0.001157 -0.008096 0.003672 0.003444 -0.003138 -0.001940 9C 3px 0.000745 -0.004009 -0.013837 -0.013519 0.016978 0.016240 9C 3py -0.000882 -0.005464 -0.002915 -0.003227 0.005460 0.004648 9C 1dz2 0.000368 0.001432 -0.000982 -0.000887 0.001029 0.000951 9C 1dxz 0.000038 0.000615 0.000663 0.000584 -0.000422 -0.000427 9C 1dyz 0.000379 0.002058 0.000476 0.000542 -0.000754 -0.000853 9C 1dx2y2 -0.000226 -0.000655 0.001259 0.001243 -0.001678 -0.001704 9C 1dxy -0.000013 0.000405 0.000824 0.000756 -0.000774 -0.000736 9C 2dz2 0.000098 0.000032 -0.001265 -0.001238 0.001235 0.001203 9C 2dxz -0.000177 0.000460 0.002283 0.002186 -0.002557 -0.002377 9C 2dyz 0.000246 -0.000481 -0.000063 -0.000038 0.000151 0.000255 9C 2dx2y2 0.000011 -0.000400 0.000093 -0.000078 0.000333 0.000353 9C 2dxy -0.000030 -0.000127 0.001769 0.001668 -0.001656 -0.001779 9C 1f0 -0.000006 0.000136 0.000779 0.000749 -0.000805 -0.000814 9C 1f+1 0.000028 0.000060 -0.000798 -0.000739 0.000812 0.000842 9C 1f-1 0.000020 0.000216 0.000432 0.000402 -0.000436 -0.000419 9C 1f+2 -0.000050 -0.000494 -0.000255 -0.000242 0.000240 0.000256 9C 1f-2 0.000156 0.000497 -0.001168 -0.001083 0.001249 0.001203 9C 1f+3 -0.000042 -0.000388 -0.000501 -0.000481 0.000537 0.000496 9C 1f-3 -0.000054 -0.000062 0.000216 0.000192 -0.000189 -0.000185 10H 1s -0.004296 0.014880 -0.020757 -0.020301 -0.026875 -0.026522 10H 2s -0.005839 0.017577 -0.028584 -0.028505 -0.038327 -0.037758 10H 3s -0.000384 0.008486 -0.004241 -0.003576 -0.004409 -0.006067 10H 1pz -0.000212 0.000011 -0.002098 -0.002060 -0.002468 -0.002515 10H 1px 0.000572 -0.001840 0.001763 0.001718 0.002229 0.002101 10H 1py -0.000045 -0.000336 -0.001262 -0.001251 -0.001537 -0.001487 11H 1s -0.002436 0.014349 0.006361 0.006578 0.008109 0.008932 11H 2s -0.002665 0.017493 0.008703 0.009223 0.012652 0.013598 11H 3s -0.001420 0.004086 0.000595 0.001144 0.004556 0.003859 11H 1pz 0.000080 0.000015 0.001449 0.001434 0.001924 0.001898 11H 1px -0.000223 0.001147 -0.000641 -0.000612 -0.000766 -0.000682 11H 1py 0.000264 -0.001717 -0.000693 -0.000719 -0.000901 -0.000949 12H 1s -0.002038 0.013961 0.012128 0.012462 0.016258 0.016634 12H 2s -0.002287 0.016988 0.016659 0.017442 0.024094 0.024752 12H 3s -0.000544 0.004737 0.001695 0.002177 0.006004 0.006512 12H 1pz 0.000351 -0.001660 0.000315 0.000264 0.000407 0.000318 12H 1px -0.000136 0.000686 -0.000401 -0.000368 -0.000402 -0.000402 12H 1py -0.000074 0.000992 0.002060 0.002058 0.002671 0.002716 13H 1s 0.000594 0.011629 -0.018231 0.020427 0.024442 -0.025804 13H 2s 0.000172 0.013770 -0.024834 0.028314 0.034407 -0.036305 13H 3s 0.001347 0.006091 -0.003378 0.003232 0.005979 -0.005808 13H 1pz -0.000086 0.000476 -0.002116 0.002342 0.002654 -0.002771 13H 1px -0.000124 -0.001447 0.000739 -0.000877 -0.000942 0.001022 13H 1py 0.000165 0.000343 0.001433 -0.001548 -0.001777 0.001815 14H 1s 0.002407 0.012368 0.013953 -0.015208 -0.019399 0.019501 14H 2s 0.003252 0.014836 0.018886 -0.021087 -0.028333 0.028345 14H 3s 0.000114 0.004380 0.002234 -0.002934 -0.006529 0.006086 14H 1pz 0.000183 0.000292 0.001959 -0.002138 -0.002556 0.002642 14H 1px 0.000238 0.001137 0.000993 -0.001077 -0.001443 0.001383 14H 1py 0.000152 0.001182 -0.000136 0.000186 0.000172 -0.000187 15H 1s 0.001910 0.011524 0.005006 -0.005171 -0.006362 0.006957 15H 2s 0.002234 0.013918 0.006787 -0.007271 -0.009911 0.010714 15H 3s 0.001267 0.000905 0.000952 -0.001438 -0.003215 0.003751 15H 1pz -0.000195 -0.001724 -0.000082 0.000048 0.000148 -0.000129 15H 1px -0.000080 -0.000075 -0.001241 0.001365 0.001596 -0.001683 15H 1py -0.000099 -0.000307 -0.001083 0.001172 0.001431 -0.001568 16H 1s 0.100906 -0.088936 -0.003613 -0.003924 0.003304 -0.012607 16H 2s 0.116923 -0.103372 -0.002891 -0.002938 0.003708 -0.015331 16H 3s 0.027584 -0.022308 -0.001585 0.000096 0.004129 0.000098 16H 1pz 0.007059 -0.006224 -0.000408 -0.000224 0.000434 -0.000910 16H 1px -0.004653 0.003856 -0.000809 -0.000150 -0.000182 -0.000110 16H 1py 0.008260 -0.007379 -0.000343 -0.000517 -0.000988 -0.001140 17H 1s -0.101027 0.089107 -0.001528 0.004249 0.005793 0.011637 17H 2s -0.117509 0.104115 -0.000482 0.003790 0.006842 0.014237 17H 3s -0.027502 0.023011 -0.000941 0.000150 0.003979 -0.000084 17H 1pz 0.001061 -0.001053 0.000688 -0.000157 -0.000482 -0.000331 17H 1px 0.007602 -0.006527 -0.000526 -0.000024 -0.000563 -0.000324 17H 1py -0.009106 0.008087 -0.000224 0.000608 -0.000644 0.001341 18H 1s -0.099425 -0.091036 0.001580 -0.004174 0.006078 0.011508 18H 2s -0.115643 -0.106348 0.000546 -0.003790 0.007207 0.014042 18H 3s -0.027179 -0.023528 0.000954 -0.000169 0.003954 -0.000183 18H 1pz -0.001294 -0.001300 0.000696 -0.000160 0.000486 0.000339 18H 1px -0.007558 -0.006728 -0.000524 -0.000034 0.000564 0.000313 18H 1py 0.008882 0.008201 -0.000215 0.000612 0.000625 -0.001340 19H 1s 0.099261 0.090925 0.003596 0.003877 0.002986 -0.012701 19H 2s 0.115178 0.105840 0.002887 0.002832 0.003332 -0.015484 19H 3s 0.027218 0.022975 0.001598 -0.000104 0.004106 -0.000037 19H 1pz -0.006747 -0.006190 -0.000407 -0.000213 -0.000438 0.000913 19H 1px 0.004686 0.004046 -0.000806 -0.000153 0.000178 0.000096 19H 1py -0.008262 -0.007654 -0.000354 -0.000502 0.001000 0.001143 20H 1s 0.002722 -0.011515 -0.005168 0.005335 -0.006556 0.007129 20H 2s 0.003223 -0.013917 -0.006994 0.007485 -0.010191 0.010962 20H 3s 0.001481 -0.000930 -0.000945 0.001428 -0.003264 0.003799 20H 1pz 0.000312 -0.001724 -0.000101 0.000068 -0.000169 0.000147 20H 1px 0.000080 -0.000063 -0.001227 0.001349 -0.001579 0.001663 20H 1py 0.000121 -0.000303 -0.001103 0.001192 -0.001460 0.001597 21H 1s 0.003218 -0.012369 -0.013858 0.015087 -0.019266 0.019323 21H 2s 0.004217 -0.014858 -0.018741 0.020903 -0.028149 0.028090 21H 3s 0.000449 -0.004348 -0.002219 0.002915 -0.006544 0.006087 21H 1pz -0.000205 0.000303 0.001959 -0.002137 0.002563 -0.002645 21H 1px -0.000309 0.001134 0.000964 -0.001045 0.001407 -0.001342 21H 1py -0.000233 0.001186 -0.000128 0.000178 -0.000166 0.000185 22H 1s 0.001398 -0.011612 0.018246 -0.020434 0.024527 -0.025905 22H 2s 0.001134 -0.013745 0.024884 -0.028351 0.034550 -0.036459 22H 3s 0.001776 -0.006118 0.003392 -0.003247 0.005973 -0.005840 22H 1pz 0.000050 0.000467 -0.002107 0.002331 -0.002647 0.002762 22H 1px 0.000222 -0.001448 0.000754 -0.000893 0.000966 -0.001050 22H 1py -0.000186 0.000337 0.001453 -0.001568 0.001802 -0.001837 23H 1s -0.002159 -0.014004 -0.011867 -0.012194 0.016078 0.016422 23H 2s -0.002451 -0.017029 -0.016308 -0.017072 0.023857 0.024471 23H 3s -0.000617 -0.004641 -0.001602 -0.002113 0.005964 0.006472 23H 1pz -0.000360 -0.001680 0.000305 0.000255 -0.000390 -0.000303 23H 1px 0.000139 0.000663 -0.000448 -0.000416 0.000463 0.000465 23H 1py 0.000086 0.001000 0.002030 0.002027 -0.002658 -0.002701 24H 1s -0.002490 -0.014416 -0.006606 -0.006811 0.008541 0.009348 24H 2s -0.002731 -0.017535 -0.009025 -0.009533 0.013268 0.014187 24H 3s -0.001425 -0.004128 -0.000636 -0.001198 0.004735 0.004010 24H 1pz -0.000080 0.000004 0.001476 0.001460 -0.001971 -0.001943 24H 1px 0.000228 0.001172 -0.000593 -0.000566 0.000704 0.000621 24H 1py -0.000271 -0.001707 -0.000698 -0.000722 0.000919 0.000965 25H 1s -0.004363 -0.015024 0.020742 0.020278 -0.026996 -0.026623 25H 2s -0.005919 -0.017786 0.028551 0.028459 -0.038478 -0.037871 25H 3s -0.000433 -0.008508 0.004223 0.003544 -0.004412 -0.006050 25H 1pz 0.000214 0.000031 -0.002115 -0.002075 0.002506 0.002549 25H 1px -0.000580 -0.001854 0.001759 0.001714 -0.002232 -0.002101 25H 1py 0.000033 -0.000353 -0.001225 -0.001213 0.001502 0.001451 26O 1s 0.000624 -0.008249 -0.008961 -0.009222 -0.011551 -0.011227 26O 2s 0.001501 -0.019768 -0.021323 -0.022007 -0.027564 -0.026794 26O 3s -0.002202 0.030014 0.030517 0.032246 0.040374 0.039254 26O 4s -0.004401 0.042420 0.052556 0.051968 0.064377 0.062454 26O 5s -0.007479 0.053400 0.025042 0.034190 0.065668 0.067266 26O 1pz -0.000074 0.010324 0.060765 0.059492 0.055832 0.048022 26O 1px 0.005505 0.034761 0.090038 0.083027 0.100482 0.091117 26O 1py 0.003289 0.022014 0.071435 0.067320 0.060525 0.073453 26O 2pz 0.000027 0.009736 0.051896 0.049688 0.047667 0.040727 26O 2px 0.005362 0.025556 0.074460 0.067388 0.078776 0.070821 26O 2py 0.003238 0.017338 0.059922 0.055545 0.048833 0.060041 26O 3pz 0.000104 0.008187 0.015239 0.018408 0.034008 0.029022 26O 3px 0.005056 0.007715 0.035159 0.032843 0.043807 0.036284 26O 3py 0.001437 0.011487 0.023356 0.023192 0.030441 0.038422 26O 1dz2 -0.000021 0.000524 0.001486 0.001414 0.001299 0.001132 26O 1dxz 0.000041 -0.000265 -0.001083 -0.001054 -0.001093 -0.001086 26O 1dyz -0.000022 -0.000225 -0.000336 -0.000184 -0.000792 -0.000709 26O 1dx2y2 -0.000068 -0.000570 -0.001373 -0.001207 -0.001347 -0.001268 26O 1dxy -0.000014 -0.000811 -0.002023 -0.001800 -0.001998 -0.002101 26O 2dz2 0.000129 0.001518 0.004181 0.004144 0.004549 0.003709 26O 2dxz -0.000368 0.000048 -0.000792 -0.000949 -0.000520 -0.000792 26O 2dyz -0.000201 0.001550 0.001425 0.001889 0.002154 0.002558 26O 2dx2y2 -0.000059 -0.001494 -0.004064 -0.003522 -0.003432 -0.003470 26O 2dxy -0.000279 -0.000927 -0.003797 -0.003278 -0.002727 -0.002971 26O 1f0 -0.000046 -0.000138 -0.000539 -0.000480 -0.000537 -0.000530 26O 1f+1 -0.000077 -0.000061 -0.000325 -0.000251 -0.000277 -0.000318 26O 1f-1 -0.000073 0.000049 -0.000034 0.000235 0.000048 -0.000014 26O 1f+2 0.000065 0.000004 0.000320 0.000182 0.000356 0.000247 26O 1f-2 0.000017 0.000264 0.000790 0.000839 0.000814 0.000797 26O 1f+3 0.000001 0.000041 0.000152 0.000192 0.000091 0.000245 26O 1f-3 -0.000102 -0.000272 -0.000978 -0.000906 -0.000968 -0.000925 27O 1s -0.001561 -0.007177 -0.008912 0.009938 0.011224 -0.011636 27O 2s -0.003697 -0.017210 -0.021192 0.023699 0.026756 -0.027747 27O 3s 0.005017 0.026385 0.030115 -0.034502 -0.038812 0.040401 27O 4s 0.009976 0.035954 0.052902 -0.056640 -0.063643 0.065730 27O 5s 0.008745 0.039178 0.028665 -0.039397 -0.067835 0.065764 27O 1pz 0.000743 0.001277 0.026874 -0.028828 -0.027077 0.016307 27O 1px 0.015172 0.037941 0.101980 -0.104243 -0.108904 0.109185 27O 1py -0.007630 -0.017455 -0.067466 0.071832 0.059176 -0.068205 27O 2pz 0.000861 0.001912 0.023105 -0.024302 -0.023915 0.014460 27O 2px 0.011918 0.029162 0.083915 -0.084399 -0.085401 0.085590 27O 2py -0.006848 -0.014573 -0.057232 0.059737 0.049423 -0.057427 27O 3pz -0.000085 0.001662 0.005833 -0.007463 -0.018817 0.010910 27O 3px 0.001411 0.015676 0.036033 -0.037999 -0.043140 0.045941 27O 3py 0.000497 -0.012049 -0.018017 0.022198 0.031177 -0.037646 27O 1dz2 0.000188 0.000585 0.001554 -0.001508 -0.001699 0.001605 27O 1dxz 0.000009 0.000025 -0.000258 0.000285 0.000343 -0.000326 27O 1dyz 0.000019 0.000004 -0.000206 0.000372 -0.000168 0.000212 27O 1dx2y2 -0.000312 -0.000797 -0.002212 0.002228 0.001984 -0.002071 27O 1dxy 0.000142 0.000553 0.001607 -0.001602 -0.001776 0.001863 27O 2dz2 0.000105 0.000539 0.002467 -0.002234 -0.002068 0.001525 27O 2dxz -0.000065 0.000552 0.000877 -0.000837 -0.000868 0.000822 27O 2dyz -0.000363 -0.001041 -0.001781 0.002444 0.002878 -0.002601 27O 2dx2y2 -0.000411 -0.002464 -0.005338 0.005514 0.004636 -0.005428 27O 2dxy 0.000100 0.000224 0.001312 -0.001295 -0.000891 0.000978 27O 1f0 -0.000042 -0.000075 -0.000267 0.000432 0.000343 -0.000282 27O 1f+1 -0.000092 -0.000244 -0.000664 0.000687 0.000638 -0.000718 27O 1f-1 0.000033 0.000090 0.000219 -0.000183 -0.000201 0.000259 27O 1f+2 -0.000001 -0.000054 0.000038 0.000150 -0.000059 -0.000008 27O 1f-2 -0.000010 -0.000089 -0.000175 0.000314 0.000226 -0.000160 27O 1f+3 -0.000011 -0.000046 -0.000183 0.000053 0.000164 -0.000087 27O 1f-3 0.000147 0.000296 0.000994 -0.000984 -0.001018 0.001052 28O 1s 0.002393 -0.008698 0.009745 0.009727 0.011727 0.011671 28O 2s 0.005689 -0.020862 0.023207 0.023222 0.027983 0.027853 28O 3s -0.007999 0.031988 -0.033416 -0.034170 -0.041007 -0.040853 28O 4s -0.014357 0.043319 -0.055976 -0.053845 -0.064770 -0.064685 28O 5s -0.012750 0.051834 -0.033181 -0.038929 -0.065620 -0.063971 28O 1pz -0.017576 0.036843 -0.109866 -0.102784 -0.107552 -0.098367 28O 1px 0.014588 -0.032263 0.060368 0.054286 0.064740 0.068359 28O 1py -0.006612 0.012787 -0.044075 -0.042422 -0.033574 -0.042912 28O 2pz -0.014557 0.029352 -0.092231 -0.084970 -0.088341 -0.080279 28O 2px 0.011084 -0.023654 0.048936 0.043372 0.049311 0.052500 28O 2py -0.006046 0.010709 -0.037836 -0.035631 -0.028636 -0.036926 28O 3pz -0.002104 0.016880 -0.032877 -0.033448 -0.050865 -0.045594 28O 3px 0.002600 -0.010467 0.024641 0.022887 0.022611 0.026309 28O 3py 0.000214 0.009887 -0.010031 -0.012097 -0.017196 -0.023901 28O 1dz2 0.000077 -0.000217 0.000705 0.000595 0.000839 0.000871 28O 1dxz -0.000451 0.001139 -0.002802 -0.002533 -0.002630 -0.002523 28O 1dyz 0.000082 -0.000314 0.000509 0.000339 0.000928 0.000885 28O 1dx2y2 0.000279 -0.000572 0.001197 0.001021 0.001039 0.001131 28O 1dxy -0.000076 0.000295 -0.000875 -0.000890 -0.000701 -0.000732 28O 2dz2 0.000011 0.000437 -0.000246 -0.000290 -0.000721 -0.000231 28O 2dxz -0.000758 0.002250 -0.005793 -0.005361 -0.005375 -0.004936 28O 2dyz -0.000389 0.001357 -0.001342 -0.001773 -0.001990 -0.002247 28O 2dx2y2 0.000272 -0.001807 0.003421 0.003042 0.002588 0.003182 28O 2dxy -0.000302 0.000630 -0.001200 -0.001430 -0.001586 -0.001505 28O 1f0 -0.000010 0.000011 -0.000074 -0.000094 -0.000159 -0.000022 28O 1f+1 0.000173 -0.000313 0.000958 0.000854 0.000988 0.000898 28O 1f-1 -0.000098 0.000256 -0.000529 -0.000741 -0.000539 -0.000547 28O 1f+2 -0.000084 0.000165 -0.000504 -0.000342 -0.000470 -0.000433 28O 1f-2 0.000096 -0.000173 0.000494 0.000369 0.000471 0.000519 28O 1f+3 -0.000006 0.000059 -0.000076 -0.000111 -0.000067 -0.000038 28O 1f-3 0.000084 -0.000099 0.000365 0.000338 0.000372 0.000375 29O 1s 0.000023 0.000013 0.000629 0.000029 0.002164 -0.000169 29O 2s 0.000071 0.000020 0.001549 0.000070 0.005208 -0.000408 29O 3s -0.000229 0.000025 -0.002807 -0.000113 -0.008180 0.000640 29O 4s 0.000013 0.000055 -0.003915 -0.000022 -0.011198 0.000854 29O 5s 0.000533 -0.001227 0.002115 -0.000704 -0.010898 0.001237 29O 1pz -0.255605 0.225512 0.007540 0.011337 -0.001067 0.031724 29O 1px -0.094301 0.083165 -0.011356 0.004698 0.007547 0.010345 29O 1py 0.023520 -0.020893 0.002482 -0.001413 -0.022007 -0.000694 29O 2pz -0.209899 0.184955 0.006709 0.009414 -0.001178 0.025750 29O 2px -0.077535 0.068321 -0.010909 0.003935 0.006962 0.008419 29O 2py 0.019281 -0.017160 0.002136 -0.001191 -0.018093 -0.000641 29O 3pz -0.091238 0.080636 0.003962 0.006202 -0.000659 0.011312 29O 3px -0.033398 0.029476 -0.007410 0.002471 0.001514 0.003225 29O 3py 0.008286 -0.007121 0.000305 -0.000511 -0.014285 0.000584 29O 1dz2 0.003413 -0.003034 -0.000051 -0.000124 -0.000063 -0.000471 29O 1dxz -0.003117 0.002782 0.000070 0.000139 0.000095 0.000455 29O 1dyz 0.006008 -0.005297 -0.000112 -0.000178 -0.000008 -0.000723 29O 1dx2y2 -0.000898 0.000804 -0.000062 0.000049 -0.000157 0.000162 29O 1dxy 0.002636 -0.002327 0.000130 -0.000088 -0.000164 -0.000303 29O 2dz2 0.007816 -0.007089 -0.000345 -0.000313 -0.000627 -0.001367 29O 2dxz -0.006483 0.005982 -0.000121 0.000365 0.000258 0.001502 29O 2dyz 0.015165 -0.013377 -0.000429 -0.000484 -0.000036 -0.001807 29O 2dx2y2 -0.001597 0.001503 0.000308 0.000136 -0.001020 0.000578 29O 2dxy 0.006423 -0.005695 0.000761 -0.000239 0.000081 -0.000856 29O 1f0 -0.001347 0.001198 0.000135 0.000085 -0.000038 0.000198 29O 1f+1 -0.001376 0.001250 -0.000054 0.000073 0.000030 0.000256 29O 1f-1 -0.001191 0.001048 0.000074 0.000080 -0.000094 0.000154 29O 1f+2 0.000093 -0.000104 -0.000073 -0.000013 0.000002 -0.000072 29O 1f-2 0.002294 -0.002026 -0.000010 -0.000151 -0.000069 -0.000297 29O 1f+3 -0.000615 0.000554 -0.000051 0.000050 0.000085 0.000102 29O 1f-3 -0.001087 0.000956 -0.000086 0.000082 0.000128 0.000117 30O 1s -0.000122 -0.006733 0.008761 -0.009973 -0.011518 0.011800 30O 2s -0.000299 -0.016135 0.020850 -0.023802 -0.027491 0.028162 30O 3s 0.000416 0.024536 -0.029886 0.034943 0.040388 -0.041326 30O 4s 0.001419 0.034196 -0.051010 0.055650 0.063594 -0.065155 30O 5s 0.004976 0.044459 -0.025483 0.037185 0.060572 -0.067964 30O 1pz -0.002541 0.016727 -0.071726 0.075482 0.079967 -0.068245 30O 1px 0.004998 -0.019302 0.041591 -0.040636 -0.052544 0.054711 30O 1py 0.004782 -0.023297 0.092187 -0.097094 -0.084341 0.096001 30O 2pz -0.002432 0.013178 -0.060085 0.062160 0.065244 -0.054816 30O 2px 0.004597 -0.013192 0.033340 -0.032075 -0.039203 0.040876 30O 2py 0.004591 -0.018581 0.077917 -0.080697 -0.069387 0.079192 30O 3pz -0.002120 0.005667 -0.022750 0.025947 0.039940 -0.030810 30O 3px 0.003593 -0.002533 0.020391 -0.019380 -0.019645 0.018071 30O 3py 0.001634 -0.012436 0.027117 -0.031087 -0.040891 0.047943 30O 1dz2 -0.000031 0.000206 -0.000254 0.000167 0.000378 -0.000367 30O 1dxz -0.000044 0.000493 -0.001626 0.001648 0.001641 -0.001531 30O 1dyz -0.000063 0.000521 -0.001419 0.001316 0.001746 -0.001863 30O 1dx2y2 0.000066 -0.000054 0.000011 0.000024 0.000130 -0.000101 30O 1dxy 0.000033 -0.000619 0.002034 -0.002135 -0.001777 0.001920 30O 2dz2 0.000079 -0.000211 -0.000306 -0.000034 0.000137 0.000400 30O 2dxz -0.000268 0.001030 -0.004148 0.004313 0.004302 -0.003732 30O 2dyz -0.000305 -0.000376 -0.001144 0.000598 -0.000085 -0.000122 30O 2dx2y2 -0.000151 -0.001130 0.001966 -0.001894 -0.001870 0.002264 30O 2dxy 0.000274 -0.001599 0.004703 -0.005135 -0.004621 0.004959 30O 1f0 0.000030 -0.000174 0.000543 -0.000720 -0.000546 0.000615 30O 1f+1 0.000013 -0.000029 0.000230 -0.000265 -0.000288 0.000215 30O 1f-1 0.000003 -0.000092 0.000398 -0.000472 -0.000513 0.000365 30O 1f+2 -0.000010 -0.000172 0.000479 -0.000691 -0.000517 0.000560 30O 1f-2 -0.000106 0.000187 -0.000876 0.000765 0.000881 -0.000869 30O 1f+3 0.000081 -0.000073 0.000524 -0.000419 -0.000488 0.000564 30O 1f-3 -0.000063 0.000014 -0.000238 0.000187 0.000229 -0.000204 31O 1s -0.000610 0.006724 -0.008749 0.009953 -0.011532 0.011804 31O 2s -0.001467 0.016114 -0.020822 0.023755 -0.027525 0.028172 31O 3s 0.002180 -0.024499 0.029851 -0.034878 0.040445 -0.041344 31O 4s 0.003971 -0.034163 0.050913 -0.055513 0.063636 -0.065141 31O 5s 0.008038 -0.044490 0.025353 -0.037081 0.060636 -0.068099 31O 1pz 0.001115 0.016591 -0.071668 0.075334 -0.080011 0.068254 31O 1px -0.003487 -0.019278 0.041585 -0.040581 0.052598 -0.054685 31O 1py -0.003128 -0.023289 0.092119 -0.096981 0.084438 -0.096072 31O 2pz 0.001325 0.013070 -0.060050 0.062050 -0.065290 0.054835 31O 2px -0.003542 -0.013174 0.033350 -0.032044 0.039255 -0.040856 31O 2py -0.003266 -0.018576 0.077871 -0.080615 0.069480 -0.079258 31O 3pz 0.001592 0.005527 -0.022742 0.025843 -0.039943 0.030744 31O 3px -0.003361 -0.002474 0.020450 -0.019380 0.019692 -0.018018 31O 3py -0.000966 -0.012344 0.027138 -0.031039 0.040954 -0.047966 31O 1dz2 -0.000019 -0.000205 0.000253 -0.000165 0.000378 -0.000366 31O 1dxz -0.000005 -0.000492 0.001625 -0.001646 0.001642 -0.001532 31O 1dyz -0.000026 -0.000521 0.001417 -0.001313 0.001746 -0.001865 31O 1dx2y2 0.000058 0.000055 -0.000012 -0.000022 0.000129 -0.000102 31O 1dxy -0.000012 0.000619 -0.002032 0.002132 -0.001779 0.001921 31O 2dz2 0.000080 0.000213 0.000304 0.000040 0.000131 0.000407 31O 2dxz -0.000176 -0.001024 0.004151 -0.004310 0.004308 -0.003733 31O 2dyz -0.000339 0.000380 0.001147 -0.000600 -0.000084 -0.000123 31O 2dx2y2 -0.000223 0.001130 -0.001970 0.001897 -0.001875 0.002260 31O 2dxy 0.000175 0.001587 -0.004702 0.005128 -0.004627 0.004959 31O 1f0 -0.000017 -0.000173 0.000544 -0.000720 0.000548 -0.000616 31O 1f+1 -0.000012 -0.000027 0.000229 -0.000264 0.000288 -0.000215 31O 1f-1 0.000006 -0.000091 0.000398 -0.000470 0.000514 -0.000365 31O 1f+2 0.000021 -0.000172 0.000478 -0.000690 0.000518 -0.000561 31O 1f-2 0.000091 0.000185 -0.000876 0.000764 -0.000881 0.000870 31O 1f+3 -0.000076 -0.000073 0.000524 -0.000418 0.000488 -0.000566 31O 1f-3 0.000060 0.000014 -0.000238 0.000187 -0.000229 0.000204 32O 1s 0.000006 0.000003 -0.000625 -0.000024 0.002156 -0.000218 32O 2s 0.000034 0.000020 -0.001540 -0.000057 0.005188 -0.000526 32O 3s -0.000200 -0.000115 0.002795 0.000092 -0.008142 0.000820 32O 4s 0.000216 -0.000039 0.003892 -0.000018 -0.011180 0.001119 32O 5s 0.000356 0.000946 -0.002158 0.000805 -0.010856 0.001547 32O 1pz 0.252320 0.231269 0.007365 0.011238 -0.000243 -0.031837 32O 1px 0.091804 0.084042 -0.011489 0.004569 -0.007984 -0.009979 32O 1py -0.016908 -0.015354 0.002624 -0.001022 0.021927 -0.000634 32O 2pz 0.207214 0.189697 0.006562 0.009335 0.000096 -0.025853 32O 2px 0.075472 0.069017 -0.011022 0.003822 -0.007315 -0.008106 32O 2py -0.013882 -0.012647 0.002248 -0.000866 0.018027 -0.000428 32O 3pz 0.089903 0.082528 0.003879 0.006157 0.000073 -0.011316 32O 3px 0.032450 0.029794 -0.007459 0.002387 -0.001710 -0.003125 32O 3py -0.005957 -0.005082 0.000358 -0.000226 0.014227 -0.001182 32O 1dz2 0.003107 0.002870 0.000044 0.000111 -0.000072 -0.000439 32O 1dxz -0.003192 -0.002957 -0.000066 -0.000143 0.000109 0.000468 32O 1dyz 0.006008 0.005503 0.000113 0.000179 -0.000033 -0.000736 32O 1dx2y2 -0.001034 -0.000963 0.000062 -0.000054 -0.000151 0.000184 32O 1dxy 0.002474 0.002267 -0.000133 0.000081 -0.000172 -0.000281 32O 2dz2 0.007030 0.006629 0.000324 0.000273 -0.000657 -0.001261 32O 2dxz -0.006697 -0.006408 0.000134 -0.000372 0.000294 0.001548 32O 2dyz 0.015124 0.013859 0.000427 0.000486 -0.000125 -0.001836 32O 2dx2y2 -0.001977 -0.001921 -0.000307 -0.000165 -0.001001 0.000650 32O 2dxy 0.006077 0.005604 -0.000769 0.000219 0.000054 -0.000811 32O 1f0 0.001283 0.001185 0.000130 0.000084 0.000028 -0.000194 32O 1f+1 0.001409 0.001328 -0.000057 0.000073 -0.000040 -0.000262 32O 1f-1 0.001229 0.001124 0.000077 0.000083 0.000091 -0.000162 32O 1f+2 -0.000095 -0.000109 -0.000077 -0.000013 -0.000006 0.000074 32O 1f-2 -0.002234 -0.002049 -0.000011 -0.000147 0.000076 0.000293 32O 1f+3 0.000516 0.000484 -0.000050 0.000044 -0.000084 -0.000088 32O 1f-3 0.001065 0.000972 -0.000085 0.000082 -0.000131 -0.000117 33O 1s 0.002433 0.008775 -0.009716 -0.009689 0.011770 0.011709 33O 2s 0.005784 0.021045 -0.023137 -0.023131 0.028087 0.027944 33O 3s -0.008132 -0.032255 0.033315 0.034037 -0.041156 -0.040984 33O 4s -0.014595 -0.043746 0.055813 0.053636 -0.065032 -0.064907 33O 5s -0.013287 -0.052024 0.033067 0.038777 -0.065815 -0.064109 33O 1pz 0.017696 0.037404 -0.109445 -0.102310 0.107778 0.098532 33O 1px -0.014635 -0.032796 0.060251 0.054129 -0.065157 -0.068697 33O 1py 0.006482 0.013055 -0.044067 -0.042434 0.033833 0.043089 33O 2pz 0.014635 0.029837 -0.091885 -0.084576 0.088533 0.080422 33O 2px -0.011087 -0.024078 0.048850 0.043252 -0.049648 -0.052777 33O 2py 0.005956 0.010942 -0.037836 -0.035643 0.028858 0.037080 33O 3pz 0.002049 0.017021 -0.032627 -0.033144 0.050800 0.045529 33O 3px -0.002426 -0.010673 0.024577 0.022780 -0.022755 -0.026423 33O 3py -0.000341 0.009918 -0.009985 -0.012056 0.017228 0.023900 33O 1dz2 0.000078 0.000216 -0.000697 -0.000587 0.000834 0.000865 33O 1dxz -0.000456 -0.001151 0.002793 0.002524 -0.002639 -0.002530 33O 1dyz 0.000083 0.000318 -0.000509 -0.000339 0.000931 0.000888 33O 1dx2y2 0.000280 0.000581 -0.001195 -0.001019 0.001047 0.001137 33O 1dxy -0.000075 -0.000299 0.000877 0.000892 -0.000707 -0.000738 33O 2dz2 -0.000004 -0.000437 0.000259 0.000299 -0.000741 -0.000249 33O 2dxz -0.000748 -0.002290 0.005771 0.005334 -0.005384 -0.004946 33O 2dyz -0.000398 -0.001362 0.001333 0.001761 -0.001991 -0.002249 33O 2dx2y2 0.000259 0.001824 -0.003418 -0.003035 0.002609 0.003200 33O 2dxy -0.000296 -0.000649 0.001205 0.001435 -0.001594 -0.001512 33O 1f0 0.000011 0.000010 -0.000071 -0.000091 0.000155 0.000020 33O 1f+1 -0.000172 -0.000318 0.000952 0.000848 -0.000987 -0.000897 33O 1f-1 0.000099 0.000259 -0.000529 -0.000740 0.000541 0.000549 33O 1f+2 0.000084 0.000170 -0.000503 -0.000340 0.000473 0.000435 33O 1f-2 -0.000095 -0.000178 0.000496 0.000370 -0.000475 -0.000522 33O 1f+3 0.000006 0.000060 -0.000076 -0.000110 0.000069 0.000039 33O 1f-3 -0.000084 -0.000103 0.000366 0.000339 -0.000375 -0.000377 34O 1s -0.002060 0.007179 0.008915 -0.009932 0.011229 -0.011638 34O 2s -0.004893 0.017214 0.021199 -0.023683 0.026767 -0.027752 34O 3s 0.006822 -0.026399 -0.030121 0.034477 -0.038818 0.040396 34O 4s 0.012598 -0.035934 -0.052935 0.056625 -0.063718 0.065793 34O 5s 0.011681 -0.039220 -0.028733 0.039332 -0.067887 0.065850 34O 1pz -0.000932 0.001266 0.026879 -0.028755 0.027093 -0.016240 34O 1px -0.017826 0.038012 0.101969 -0.104116 0.108975 -0.109261 34O 1py 0.008610 -0.017488 -0.067490 0.071841 -0.059292 0.068224 34O 2pz -0.001056 0.001912 0.023113 -0.024240 0.023929 -0.014411 34O 2px -0.013917 0.029213 0.083894 -0.084291 0.085444 -0.085628 34O 2py 0.007683 -0.014582 -0.057243 0.059738 -0.049510 0.057432 34O 3pz -0.000177 0.001659 0.005825 -0.007399 0.018804 -0.010846 34O 3px -0.002203 0.015780 0.036009 -0.037920 0.043113 -0.045888 34O 3py 0.000027 -0.012195 -0.018052 0.022200 -0.031211 0.037637 34O 1dz2 0.000230 -0.000586 -0.001554 0.001506 -0.001700 0.001606 34O 1dxz 0.000010 -0.000026 0.000257 -0.000284 0.000342 -0.000324 34O 1dyz 0.000021 -0.000004 0.000207 -0.000373 -0.000166 0.000211 34O 1dx2y2 -0.000369 0.000798 0.002212 -0.002226 0.001986 -0.002073 34O 1dxy 0.000175 -0.000554 -0.001608 0.001602 -0.001778 0.001864 34O 2dz2 0.000144 -0.000544 -0.002466 0.002230 -0.002068 0.001520 34O 2dxz -0.000025 -0.000557 -0.000877 0.000835 -0.000868 0.000828 34O 2dyz -0.000439 0.001044 0.001783 -0.002441 0.002881 -0.002600 34O 2dx2y2 -0.000547 0.002469 0.005336 -0.005510 0.004637 -0.005423 34O 2dxy 0.000091 -0.000231 -0.001311 0.001296 -0.000887 0.000967 34O 1f0 0.000046 -0.000075 -0.000266 0.000431 -0.000343 0.000281 34O 1f+1 0.000107 -0.000245 -0.000663 0.000686 -0.000638 0.000718 34O 1f-1 -0.000037 0.000090 0.000219 -0.000183 0.000201 -0.000259 34O 1f+2 0.000005 -0.000054 0.000037 0.000151 0.000058 0.000010 34O 1f-2 0.000017 -0.000089 -0.000175 0.000313 -0.000227 0.000159 34O 1f+3 0.000016 -0.000046 -0.000182 0.000051 -0.000162 0.000086 34O 1f-3 -0.000164 0.000298 0.000994 -0.000984 0.001018 -0.001052 35O 1s 0.000687 0.008258 0.008918 0.009178 -0.011576 -0.011245 35O 2s 0.001651 0.019791 0.021221 0.021902 -0.027623 -0.026836 35O 3s -0.002425 -0.030042 -0.030370 -0.032091 0.040458 0.039315 35O 4s -0.004742 -0.042527 -0.052310 -0.051735 0.064520 0.062555 35O 5s -0.007736 -0.053432 -0.024724 -0.033885 0.065784 0.067279 35O 1pz 0.000282 0.010238 0.060553 0.059242 -0.056144 -0.048227 35O 1px -0.005071 0.034472 0.089643 0.082607 -0.100606 -0.091186 35O 1py -0.003163 0.021961 0.071331 0.067204 -0.060949 -0.073813 35O 2pz 0.000142 0.009668 0.051716 0.049475 -0.047930 -0.040902 35O 2px -0.005026 0.025304 0.074164 0.067060 -0.078888 -0.070895 35O 2py -0.003140 0.017286 0.059856 0.055459 -0.049194 -0.060352 35O 3pz 0.000039 0.008113 0.015144 0.018246 -0.034103 -0.029071 35O 3px -0.004827 0.007541 0.035057 0.032655 -0.043785 -0.036281 35O 3py -0.001386 0.011471 0.023329 0.023118 -0.030606 -0.038564 35O 1dz2 -0.000026 -0.000524 -0.001483 -0.001410 0.001305 0.001137 35O 1dxz 0.000046 0.000265 0.001077 0.001048 -0.001098 -0.001089 35O 1dyz -0.000021 0.000222 0.000334 0.000180 -0.000794 -0.000710 35O 1dx2y2 -0.000060 0.000566 0.001365 0.001200 -0.001346 -0.001266 35O 1dxy -0.000008 0.000811 0.002018 0.001794 -0.002008 -0.002109 35O 2dz2 0.000101 -0.001507 -0.004173 -0.004128 0.004564 0.003722 35O 2dxz -0.000369 -0.000060 0.000785 0.000941 -0.000529 -0.000797 35O 2dyz -0.000202 -0.001555 -0.001424 -0.001888 0.002167 0.002569 35O 2dx2y2 -0.000045 0.001490 0.004048 0.003502 -0.003431 -0.003470 35O 2dxy -0.000278 0.000916 0.003801 0.003275 -0.002749 -0.002993 35O 1f0 0.000045 -0.000135 -0.000536 -0.000477 0.000539 0.000531 35O 1f+1 0.000077 -0.000058 -0.000324 -0.000251 0.000278 0.000319 35O 1f-1 0.000073 0.000050 -0.000035 0.000235 -0.000049 0.000014 35O 1f+2 -0.000064 0.000001 0.000317 0.000178 -0.000355 -0.000246 35O 1f-2 -0.000013 0.000262 0.000787 0.000836 -0.000819 -0.000800 35O 1f+3 -0.000002 0.000043 0.000155 0.000195 -0.000096 -0.000251 35O 1f-3 0.000098 -0.000268 -0.000976 -0.000903 0.000971 0.000928 78 79 80 81 82 83 -0.45876 -0.45445 -0.45364 -0.45216 -0.44437 -0.44234 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s 0.000019 -0.000081 0.000007 0.001227 -0.000000 0.000029 0Rh 2s -0.000077 0.000295 -0.000038 -0.004571 -0.000002 -0.000111 0Rh 3s 0.000062 -0.000283 0.000017 0.004259 -0.000004 0.000100 0Rh 4s 0.000329 -0.001235 0.000166 0.019275 0.000009 0.000470 0Rh 5s -0.000289 0.000811 -0.000204 -0.014184 -0.000032 -0.000351 0Rh 6s -0.000370 0.002427 0.000015 -0.031339 0.000066 -0.000768 0Rh 7s -0.000500 -0.002130 -0.001217 0.013991 0.000013 0.001271 0Rh 8s 0.000727 -0.016926 0.000428 -0.010937 0.000243 0.002792 0Rh 1pz -0.000077 -0.000701 0.003528 -0.002193 0.000110 0.000214 0Rh 1px 0.000095 0.000661 0.001415 0.006273 -0.000007 0.000258 0Rh 1py -0.000166 -0.003651 -0.000391 0.001453 -0.000139 -0.001837 0Rh 2pz 0.000262 0.002362 -0.011891 0.007421 -0.000370 -0.000722 0Rh 2px -0.000322 -0.002227 -0.004774 -0.021228 0.000026 -0.000872 0Rh 2py 0.000559 0.012311 0.001317 -0.004910 0.000470 0.006189 0Rh 3pz -0.000222 -0.001788 0.009011 -0.006124 0.000266 0.000574 0Rh 3px 0.000284 0.001682 0.003678 0.017612 -0.000046 0.000686 0Rh 3py -0.000444 -0.009411 -0.000976 0.003947 -0.000356 -0.004666 0Rh 4pz -0.000268 -0.003263 0.016389 -0.008566 0.000590 0.000934 0Rh 4px 0.000316 0.003105 0.006394 0.024144 0.000063 0.001091 0Rh 4py -0.000726 -0.016703 -0.001876 0.006087 -0.000667 -0.008605 0Rh 5pz -0.000175 0.000103 -0.000395 -0.002161 -0.000281 -0.000076 0Rh 5px 0.000160 -0.000190 0.000116 0.006777 -0.000202 0.000323 0Rh 5py 0.000107 0.000093 0.000067 0.000362 0.000108 -0.000044 0Rh 6pz 0.000778 0.003811 -0.016692 0.020498 0.001817 0.001671 0Rh 6px -0.000797 -0.003044 -0.008835 -0.051275 0.001241 -0.005309 0Rh 6py -0.002033 0.017536 0.003139 -0.001282 0.000779 0.017714 0Rh 1dz2 0.021526 -0.002778 0.013900 0.000640 -0.001832 -0.000447 0Rh 1dxz 0.009946 0.005603 -0.022315 0.001639 0.000382 0.000538 0Rh 1dyz -0.010324 -0.008150 -0.006075 0.000311 -0.005961 0.001154 0Rh 1dx2y2 0.015350 -0.008149 -0.009300 -0.002239 -0.000489 0.000907 0Rh 1dxy 0.001725 0.026747 0.001597 -0.000738 -0.002404 -0.002823 0Rh 2dz2 -0.000422 0.000061 -0.000288 0.000016 0.000034 0.000007 0Rh 2dxz -0.000197 -0.000121 0.000484 -0.000009 -0.000012 -0.000016 0Rh 2dyz 0.000197 0.000168 0.000146 -0.000001 0.000104 -0.000038 0Rh 2dx2y2 -0.000299 0.000175 0.000198 0.000007 0.000008 -0.000035 0Rh 2dxy -0.000033 -0.000590 -0.000030 0.000000 0.000049 0.000104 0Rh 3dz2 -0.031092 0.003993 -0.019996 -0.001019 0.002646 0.000656 0Rh 3dxz -0.014395 -0.008063 0.032103 -0.002445 -0.000538 -0.000758 0Rh 3dyz 0.014948 0.011756 0.008667 -0.000466 0.008650 -0.001619 0Rh 3dx2y2 -0.022174 0.011699 0.013359 0.003348 0.000710 -0.001249 0Rh 3dxy -0.002497 -0.038444 -0.002316 0.001111 0.003465 0.003911 0Rh 4dz2 -0.041099 0.005315 -0.026755 -0.001089 0.003412 0.000846 0Rh 4dxz -0.018896 -0.010822 0.042936 -0.003057 -0.000752 -0.001078 0Rh 4dyz 0.019617 0.015552 0.011888 -0.000575 0.011088 -0.002305 0Rh 4dx2y2 -0.029277 0.015778 0.017927 0.004186 0.000891 -0.001877 0Rh 4dxy -0.003285 -0.051534 -0.003019 0.001395 0.004540 0.005776 0Rh 5dz2 -0.034928 0.004588 -0.021910 0.000131 0.004005 0.000613 0Rh 5dxz -0.016366 -0.008556 0.035089 -0.000866 -0.000724 -0.000733 0Rh 5dyz 0.017030 0.013435 0.009033 -0.000187 0.012274 -0.002142 0Rh 5dx2y2 -0.025055 0.012559 0.014678 0.000918 0.001165 -0.001364 0Rh 5dxy -0.002723 -0.041830 -0.002692 -0.000207 0.004812 0.004417 0Rh 1f0 -0.000490 -0.000122 0.000277 0.001080 0.001096 -0.001826 0Rh 1f+1 0.000564 0.000009 0.000709 -0.000966 -0.001445 -0.000479 0Rh 1f-1 0.000394 -0.000217 0.000139 -0.000220 0.001652 -0.001779 0Rh 1f+2 0.000246 0.000336 -0.000654 -0.001535 0.001042 -0.001378 0Rh 1f-2 -0.000225 -0.000257 -0.000390 -0.000657 -0.003248 -0.000999 0Rh 1f+3 -0.000715 0.000453 0.000314 -0.001678 0.000335 -0.000109 0Rh 1f-3 -0.000217 -0.000627 -0.000009 -0.001094 0.001952 0.001196 1Rh 1s 0.000019 0.000072 0.000046 0.001225 0.000000 -0.000026 1Rh 2s -0.000077 -0.000262 -0.000158 -0.004564 -0.000004 0.000098 1Rh 3s 0.000062 0.000252 0.000166 0.004252 -0.000002 -0.000089 1Rh 4s 0.000326 0.001097 0.000660 0.019244 0.000017 -0.000411 1Rh 5s -0.000286 -0.000713 -0.000403 -0.014163 -0.000036 0.000296 1Rh 6s -0.000367 -0.002192 -0.001359 -0.031282 0.000045 0.000714 1Rh 7s -0.000498 0.001990 0.001809 0.013871 0.000061 -0.001280 1Rh 8s 0.000769 0.017005 -0.000626 -0.010798 0.000458 -0.002814 1Rh 1pz 0.000032 -0.000704 0.003605 0.002049 -0.000124 0.000209 1Rh 1px -0.000108 0.000710 0.001167 -0.006322 0.000006 0.000267 1Rh 1py 0.000160 -0.003631 -0.000454 -0.001465 0.000104 -0.001836 1Rh 2pz -0.000110 0.002371 -0.012152 -0.006933 0.000418 -0.000705 1Rh 2px 0.000367 -0.002394 -0.003933 0.021393 -0.000023 -0.000903 1Rh 2py -0.000539 0.012243 0.001529 0.004951 -0.000351 0.006187 1Rh 3pz 0.000106 -0.001796 0.009228 0.005752 -0.000302 0.000560 1Rh 3px -0.000318 0.001821 0.002978 -0.017740 0.000042 0.000710 1Rh 3py 0.000426 -0.009358 -0.001149 -0.003981 0.000267 -0.004664 1Rh 4pz 0.000065 -0.003274 0.016680 0.007899 -0.000659 0.000915 1Rh 4px -0.000378 0.003296 0.005442 -0.024354 -0.000061 0.001135 1Rh 4py 0.000707 -0.016613 -0.002134 -0.006137 0.000495 -0.008603 1Rh 5pz 0.000175 0.000089 -0.000298 0.002163 0.000282 -0.000077 1Rh 5px -0.000161 -0.000140 -0.000159 -0.006798 0.000191 0.000318 1Rh 5py -0.000115 0.000087 0.000046 -0.000375 -0.000091 -0.000044 1Rh 6pz -0.000541 0.004019 -0.017514 -0.019680 -0.001727 0.001690 1Rh 6px 0.000909 -0.003403 -0.006825 0.051667 -0.001191 -0.005311 1Rh 6py 0.001975 0.017531 0.003128 0.001373 -0.000650 0.017755 1Rh 1dz2 0.021612 0.002754 -0.013719 0.001208 -0.001776 0.000484 1Rh 1dxz 0.009786 -0.005604 0.022439 0.000685 0.000270 -0.000546 1Rh 1dyz -0.010335 0.008174 0.005977 0.000117 -0.005934 -0.001172 1Rh 1dx2y2 0.015284 0.008156 0.009294 -0.002544 -0.000483 -0.000843 1Rh 1dxy 0.001721 -0.026738 -0.001654 -0.000881 -0.002494 0.002851 1Rh 2dz2 -0.000424 -0.000060 0.000286 0.000004 0.000033 -0.000007 1Rh 2dxz -0.000194 0.000121 -0.000486 0.000013 -0.000010 0.000016 1Rh 2dyz 0.000197 -0.000169 -0.000144 0.000004 0.000104 0.000039 1Rh 2dx2y2 -0.000298 -0.000175 -0.000199 0.000014 0.000008 0.000034 1Rh 2dxy -0.000033 0.000590 0.000031 0.000004 0.000050 -0.000105 1Rh 3dz2 -0.031214 -0.003957 0.019731 -0.001835 0.002566 -0.000710 1Rh 3dxz -0.014165 0.008063 -0.032285 -0.001074 -0.000375 0.000768 1Rh 3dyz 0.014962 -0.011791 -0.008526 -0.000190 0.008611 0.001641 1Rh 3dx2y2 -0.022079 -0.011710 -0.013346 0.003784 0.000700 0.001158 1Rh 3dxy -0.002491 0.038432 0.002397 0.001315 0.003597 -0.003952 1Rh 4dz2 -0.041264 -0.005266 0.026415 -0.002182 0.003305 -0.000908 1Rh 4dxz -0.018586 0.010821 -0.043166 -0.001217 -0.000537 0.001097 1Rh 4dyz 0.019638 -0.015597 -0.011702 -0.000192 0.011037 0.002346 1Rh 4dx2y2 -0.029148 -0.015790 -0.017914 0.004772 0.000888 0.001752 1Rh 4dxy -0.003278 0.051510 0.003129 0.001672 0.004707 -0.005829 1Rh 5dz2 -0.035073 -0.004571 0.021665 -0.000759 0.003927 -0.000706 1Rh 5dxz -0.016125 0.008545 -0.035226 0.000615 -0.000541 0.000724 1Rh 5dyz 0.017043 -0.013481 -0.008854 0.000104 0.012242 0.002128 1Rh 5dx2y2 -0.024967 -0.012550 -0.014788 0.001405 0.001130 0.001279 1Rh 5dxy -0.002714 0.041839 0.002717 0.000017 0.004963 -0.004467 1Rh 1f0 0.000500 -0.000111 0.000232 -0.001095 -0.001112 -0.001812 1Rh 1f+1 -0.000560 -0.000010 0.000750 0.000936 0.001442 -0.000494 1Rh 1f-1 -0.000394 -0.000221 0.000146 0.000208 -0.001679 -0.001763 1Rh 1f+2 -0.000237 0.000337 -0.000597 0.001560 -0.001048 -0.001374 1Rh 1f-2 0.000229 -0.000276 -0.000347 0.000667 0.003237 -0.001033 1Rh 1f+3 0.000711 0.000438 0.000382 0.001667 -0.000336 -0.000104 1Rh 1f-3 0.000217 -0.000628 0.000037 0.001089 -0.001943 0.001214 2C 1s -0.000235 0.006599 -0.007168 -0.006751 -0.006026 -0.000740 2C 2s -0.000504 0.014205 -0.015428 -0.014521 -0.012907 -0.001574 2C 3s 0.001060 -0.023349 0.025244 0.024528 0.021411 0.002749 2C 4s 0.000111 -0.026948 0.029588 0.024189 0.023194 0.000499 2C 5s -0.003138 -0.029042 0.034062 0.018339 0.107580 0.006194 2C 1pz 0.034795 0.060893 -0.089230 -0.075734 -0.076902 -0.069739 2C 1px 0.023150 0.011458 -0.026257 -0.019717 -0.018978 -0.037992 2C 1py -0.061289 0.061996 -0.032582 -0.046715 -0.051595 0.085429 2C 2pz 0.027890 0.048569 -0.071676 -0.063353 -0.063242 -0.056709 2C 2px 0.018580 0.010226 -0.021941 -0.017667 -0.017565 -0.030029 2C 2py -0.050377 0.049437 -0.025594 -0.038759 -0.041576 0.066768 2C 3pz 0.008307 0.015966 -0.024092 -0.023923 -0.003530 -0.023285 2C 3px 0.005492 -0.001725 -0.003764 -0.002684 0.003635 -0.013418 2C 3py -0.015404 0.017534 -0.008167 -0.015672 -0.003854 0.027873 2C 1dz2 0.000996 0.002595 -0.003428 -0.003049 -0.003073 -0.001574 2C 1dxz -0.001122 0.001508 -0.000977 -0.001213 -0.001326 0.001794 2C 1dyz -0.000658 0.004514 -0.004705 -0.004646 -0.004705 -0.000267 2C 1dx2y2 0.000367 -0.001217 0.001225 0.001209 0.001309 0.000230 2C 1dxy 0.002266 0.000335 -0.001691 -0.001052 -0.000912 -0.003731 2C 2dz2 0.003376 0.001555 -0.003915 -0.003354 -0.003579 -0.004797 2C 2dxz 0.000682 0.000190 -0.000674 -0.000864 -0.000160 -0.000800 2C 2dyz -0.002498 0.005725 -0.005015 -0.006403 -0.007529 0.001047 2C 2dx2y2 0.002143 -0.001466 0.000521 0.001206 0.000926 -0.001564 2C 2dxy 0.001754 0.000842 -0.002304 -0.002014 -0.002157 -0.003059 2C 1f0 0.000929 -0.000319 -0.000115 0.000072 0.000060 -0.000970 2C 1f+1 0.000648 0.000134 -0.000489 -0.000372 -0.000403 -0.000868 2C 1f-1 0.000068 0.000589 -0.000732 -0.000804 -0.000967 -0.000336 2C 1f+2 0.000923 -0.000250 -0.000221 0.000084 0.000229 -0.000930 2C 1f-2 0.000071 -0.000223 0.000218 0.000130 0.000154 -0.000021 2C 1f+3 -0.000230 0.000674 -0.000631 -0.000667 -0.000701 0.000182 2C 1f-3 -0.000332 0.000313 -0.000185 -0.000254 -0.000334 0.000260 3C 1s 0.000248 -0.007082 -0.006542 -0.006686 0.006091 0.002651 3C 2s 0.000532 -0.015273 -0.014101 -0.014408 0.013072 0.005682 3C 3s -0.000580 0.025850 0.023895 0.025144 -0.022442 -0.010282 3C 4s -0.002657 0.025154 0.023214 0.019997 -0.019801 -0.004793 3C 5s -0.003975 0.033881 0.031296 0.022498 -0.110782 -0.015685 3C 1pz 0.061530 -0.024406 -0.055197 -0.039480 0.043652 0.075958 3C 1px 0.011341 -0.026711 -0.031166 -0.027617 0.031022 0.025018 3C 1py 0.039459 0.089942 0.061019 0.076706 -0.079750 0.001399 3C 2pz 0.049822 -0.019066 -0.043964 -0.032643 0.034369 0.061878 3C 2px 0.009239 -0.022397 -0.026222 -0.024438 0.027144 0.021286 3C 2py 0.033083 0.073482 0.050071 0.065666 -0.067158 -0.001923 3C 3pz 0.014492 -0.008333 -0.018951 -0.015891 0.006718 0.023279 3C 3px 0.001833 -0.006932 -0.006517 -0.006404 -0.000661 0.008797 3C 3py 0.011385 0.024045 0.015126 0.023813 -0.003383 0.001083 3C 1dz2 0.002422 0.001644 0.000305 0.001006 -0.000931 0.001473 3C 1dxz -0.000200 -0.001550 -0.001265 -0.001450 0.001503 0.000302 3C 1dyz 0.000771 0.004447 0.003624 0.004083 -0.004173 -0.000881 3C 1dx2y2 -0.000786 0.002665 0.002878 0.002785 -0.002950 -0.002363 3C 1dxy -0.001016 0.002280 0.002651 0.002445 -0.002599 -0.002194 3C 2dz2 0.004350 0.002947 0.000245 0.001908 -0.002174 0.002085 3C 2dxz 0.000935 -0.001058 -0.001300 -0.001399 0.001223 0.001571 3C 2dyz -0.000954 0.005499 0.005757 0.006862 -0.008128 -0.003854 3C 2dx2y2 0.001553 0.003252 0.002342 0.003502 -0.003261 -0.001494 3C 2dxy -0.000434 0.002672 0.002720 0.003070 -0.003281 -0.002602 3C 1f0 -0.000074 0.000737 0.000718 0.000802 -0.000894 -0.000507 3C 1f+1 0.000409 0.000148 -0.000060 0.000026 0.000012 0.000274 3C 1f-1 -0.001126 0.000106 0.000605 0.000386 -0.000468 -0.000851 3C 1f+2 0.000048 -0.000087 -0.000071 0.000052 -0.000112 -0.000086 3C 1f-2 -0.000433 -0.000026 0.000224 0.000176 -0.000290 -0.000512 3C 1f+3 -0.000486 -0.000710 -0.000417 -0.000626 0.000754 0.000063 3C 1f-3 0.000597 0.000596 0.000285 0.000526 -0.000596 0.000124 4C 1s 0.000028 -0.001571 0.001388 0.000513 -0.000849 0.001403 4C 2s 0.000079 -0.003507 0.003115 0.001254 -0.001886 0.003095 4C 3s -0.000770 0.005972 -0.005308 -0.005790 0.006624 -0.006204 4C 4s 0.002500 0.006240 -0.004099 0.024541 -0.007076 -0.000147 4C 5s -0.000466 0.020340 -0.020521 -0.002543 -0.035257 -0.002805 4C 1pz 0.055764 -0.107463 0.089373 0.100447 0.108804 -0.050737 4C 1px 0.036702 -0.027443 0.011040 0.018736 0.022416 -0.038935 4C 1py -0.093552 -0.039850 0.098030 0.071865 0.071900 0.123772 4C 2pz 0.046049 -0.077962 0.058658 0.071919 0.065813 -0.045259 4C 2px 0.030383 -0.019296 0.006445 0.012125 0.013362 -0.033731 4C 2py -0.078372 -0.022545 0.073971 0.051744 0.043223 0.102602 4C 3pz 0.013952 -0.018580 0.012871 0.010342 0.081409 -0.012983 4C 3px 0.007862 0.000267 0.001489 0.003813 0.015135 -0.006418 4C 3py -0.025120 -0.002871 0.017755 0.009089 0.055207 0.019496 4C 1dz2 0.001398 -0.000986 0.000347 0.000580 0.000460 -0.001354 4C 1dxz 0.000588 -0.000581 0.000390 0.000371 0.000355 -0.000687 4C 1dyz -0.000792 -0.000870 0.001386 0.001189 0.000751 0.000509 4C 1dx2y2 0.001082 0.000235 -0.000786 -0.000300 -0.000263 -0.000418 4C 1dxy 0.000183 -0.000237 0.000185 0.000265 0.000222 -0.000047 4C 2dz2 0.004460 -0.004748 0.001777 0.003815 0.003470 -0.000026 4C 2dxz 0.001837 -0.001922 0.001406 0.000507 0.001468 -0.000284 4C 2dyz -0.002096 -0.002485 0.004550 0.005195 0.004872 0.001834 4C 2dx2y2 0.003286 0.000727 -0.002953 -0.000878 -0.001144 -0.000045 4C 2dxy 0.001028 -0.000327 0.000423 0.001245 0.001228 -0.000637 4C 1f0 0.000943 0.000214 -0.000928 -0.000789 -0.000610 -0.001375 4C 1f+1 -0.000570 0.001269 -0.001206 -0.001622 -0.001391 0.000083 4C 1f-1 0.000272 -0.000978 0.000864 0.000730 0.000896 -0.000219 4C 1f+2 0.001745 -0.001083 0.000111 0.000979 0.000746 -0.001801 4C 1f-2 0.001874 -0.000811 -0.000147 0.000240 0.000380 -0.002080 4C 1f+3 -0.002050 0.000190 0.000903 0.000450 0.000301 0.002396 4C 1f-3 0.001404 0.000718 -0.001669 -0.001502 -0.001276 -0.001942 5C 1s -0.000000 0.001836 0.001105 0.000487 0.000886 -0.002250 5C 2s 0.000002 0.004086 0.002486 0.001193 0.001972 -0.004998 5C 3s 0.000171 -0.007421 -0.004852 -0.006440 -0.006088 0.011299 5C 4s -0.000671 -0.004328 -0.000003 0.029039 0.002662 -0.005615 5C 5s 0.005388 -0.019608 -0.019177 -0.002284 0.034221 0.015213 5C 1pz 0.094859 0.087186 0.032878 0.061955 -0.064632 0.042088 5C 1px 0.017230 0.044988 0.032082 0.042015 -0.042838 -0.002099 5C 1py 0.061349 -0.084880 -0.110302 -0.099146 0.109873 0.084752 5C 2pz 0.078919 0.064932 0.017432 0.043993 -0.038605 0.039842 5C 2px 0.013561 0.033762 0.021219 0.031339 -0.026243 0.000771 5C 2py 0.052392 -0.054095 -0.079311 -0.069715 0.065892 0.064516 5C 3pz 0.021989 0.012437 0.003535 0.007983 -0.049409 0.010417 5C 3px 0.005136 0.012591 0.003493 0.003594 -0.029978 -0.000382 5C 3py 0.018364 -0.008178 -0.017015 -0.011248 0.080730 0.011089 5C 1dz2 0.001527 0.000209 -0.000524 -0.000257 0.000225 0.001143 5C 1dxz 0.000709 0.000672 0.000273 0.000337 -0.000281 0.000837 5C 1dyz -0.000751 -0.001100 -0.000696 -0.000973 0.000619 -0.000187 5C 1dx2y2 0.000862 -0.000535 -0.000933 -0.000526 0.000449 -0.000425 5C 1dxy 0.000057 -0.000723 -0.000674 -0.000713 0.000494 -0.000287 5C 2dz2 0.004963 0.001102 -0.001930 -0.001961 0.001349 0.002376 5C 2dxz 0.001963 0.002737 0.001348 0.001813 -0.001602 -0.000083 5C 2dyz -0.002390 -0.004393 -0.002966 -0.005534 0.005221 0.003648 5C 2dx2y2 0.001964 -0.002562 -0.004337 -0.002602 0.003107 0.000147 5C 2dxy -0.000301 -0.003088 -0.002701 -0.003454 0.003330 0.000826 5C 1f0 -0.000859 -0.001442 -0.000933 -0.001211 0.001244 0.000043 5C 1f+1 -0.001344 -0.001440 -0.000671 -0.001358 0.001166 -0.000211 5C 1f-1 -0.002452 -0.000772 0.000669 -0.000035 0.000019 -0.001728 5C 1f+2 0.001946 -0.000076 -0.001037 -0.000442 0.000604 0.001384 5C 1f-2 -0.000856 0.000168 0.000721 0.000730 -0.000603 -0.001138 5C 1f+3 -0.000201 -0.000766 -0.000579 -0.001132 0.000830 0.000386 5C 1f-3 -0.000848 0.000975 0.001285 0.001504 -0.001311 -0.001347 6C 1s -0.000001 -0.001846 -0.001082 0.000523 0.000899 0.002233 6C 2s 0.000001 -0.004110 -0.002431 0.001275 0.002001 0.004960 6C 3s 0.000139 0.007530 0.004571 -0.006599 -0.006160 -0.011183 6C 4s -0.000523 0.003974 0.001151 0.029041 0.002726 0.005511 6C 5s 0.005241 0.019453 0.019042 -0.002920 0.034096 -0.015354 6C 1pz -0.094677 0.087415 0.029834 -0.062402 0.065611 0.040819 6C 1px -0.017353 0.045123 0.030305 -0.042967 0.043009 -0.002502 6C 1py -0.060606 -0.085168 -0.107112 0.103010 -0.108905 0.085102 6C 2pz -0.078734 0.065150 0.015155 -0.044010 0.039457 0.038919 6C 2px -0.013684 0.033890 0.019881 -0.031967 0.026412 0.000519 6C 2py -0.051769 -0.054409 -0.077128 0.072582 -0.065120 0.064567 6C 3pz -0.021998 0.012403 0.003196 -0.007958 0.049563 0.009861 6C 3px -0.005172 0.012543 0.003392 -0.003651 0.030027 -0.000699 6C 3py -0.018159 -0.008142 -0.017014 0.011919 -0.080612 0.011709 6C 1dz2 0.001519 -0.000209 0.000525 -0.000282 0.000207 -0.001135 6C 1dxz 0.000709 -0.000674 -0.000257 0.000342 -0.000294 -0.000828 6C 1dyz -0.000756 0.001105 0.000652 -0.000990 0.000624 0.000181 6C 1dx2y2 0.000852 0.000534 0.000917 -0.000556 0.000448 0.000422 6C 1dxy 0.000049 0.000730 0.000648 -0.000737 0.000499 0.000283 6C 2dz2 0.004925 -0.001086 0.001892 -0.002047 0.001311 -0.002366 6C 2dxz 0.001937 -0.002721 -0.001273 0.001841 -0.001616 0.000119 6C 2dyz -0.002390 0.004425 0.002750 -0.005622 0.005206 -0.003681 6C 2dx2y2 0.001969 0.002546 0.004248 -0.002750 0.003108 -0.000192 6C 2dxy -0.000313 0.003078 0.002561 -0.003528 0.003324 -0.000858 6C 1f0 0.000860 -0.001449 -0.000882 0.001234 -0.001250 0.000059 6C 1f+1 0.001345 -0.001449 -0.000610 0.001374 -0.001178 -0.000194 6C 1f-1 0.002439 -0.000772 0.000690 -0.000003 -0.000048 -0.001708 6C 1f+2 -0.001935 -0.000076 -0.001035 0.000487 -0.000583 0.001375 6C 1f-2 0.000851 0.000173 0.000702 -0.000760 0.000588 -0.001137 6C 1f+3 0.000208 -0.000771 -0.000531 0.001148 -0.000829 0.000389 6C 1f-3 0.000836 0.000985 0.001236 -0.001550 0.001296 -0.001351 7C 1s 0.000042 0.001561 -0.001364 0.000565 -0.000870 -0.001407 7C 2s 0.000109 0.003485 -0.003056 0.001371 -0.001933 -0.003105 7C 3s -0.000802 -0.005946 0.005066 -0.005992 0.006709 0.006213 7C 4s 0.002379 -0.006182 0.005078 0.024409 -0.007016 0.000204 7C 5s -0.000460 -0.020149 0.020127 -0.003554 -0.035290 0.003516 7C 1pz -0.056165 -0.106037 0.084431 -0.104710 -0.109720 -0.049381 7C 1px -0.036574 -0.027336 0.010075 -0.019385 -0.022802 -0.038453 7C 1py 0.092359 -0.039247 0.095582 -0.076002 -0.071425 0.124259 7C 2pz -0.046328 -0.077048 0.055108 -0.074785 -0.066551 -0.044383 7C 2px -0.030213 -0.019241 0.005783 -0.012534 -0.013676 -0.033358 7C 2py 0.077401 -0.022167 0.072254 -0.054771 -0.042716 0.102807 7C 3pz -0.013953 -0.018366 0.012094 -0.010972 -0.081674 -0.011935 7C 3px -0.007796 0.000341 0.001212 -0.003855 -0.015056 -0.006171 7C 3py 0.025009 -0.002713 0.017347 -0.009720 -0.055214 0.020241 7C 1dz2 0.001398 0.000976 -0.000307 0.000599 0.000473 0.001354 7C 1dxz 0.000589 0.000578 -0.000370 0.000392 0.000365 0.000686 7C 1dyz -0.000773 0.000859 -0.001336 0.001249 0.000755 -0.000511 7C 1dx2y2 0.001062 -0.000234 0.000774 -0.000331 -0.000267 0.000404 7C 1dxy 0.000181 0.000237 -0.000175 0.000277 0.000226 0.000038 7C 2dz2 0.004505 0.004682 -0.001564 0.003894 0.003482 0.000062 7C 2dxz 0.001839 0.001885 -0.001364 0.000577 0.001487 0.000301 7C 2dyz -0.002073 0.002436 -0.004354 0.005407 0.004888 -0.001907 7C 2dx2y2 0.003233 -0.000701 0.002940 -0.001014 -0.001164 0.000003 7C 2dxy 0.001013 0.000325 -0.000365 0.001264 0.001244 0.000610 7C 1f0 -0.000930 0.000212 -0.000904 0.000831 0.000607 -0.001375 7C 1f+1 0.000579 0.001258 -0.001133 0.001679 0.001401 0.000070 7C 1f-1 -0.000293 -0.000970 0.000822 -0.000768 -0.000902 -0.000228 7C 1f+2 -0.001740 -0.001067 0.000051 -0.000990 -0.000761 -0.001790 7C 1f-2 -0.001867 -0.000803 -0.000174 -0.000238 -0.000396 -0.002076 7C 1f+3 0.002033 0.000195 0.000895 -0.000483 -0.000284 0.002391 7C 1f-3 -0.001384 0.000708 -0.001611 0.001570 0.001265 -0.001950 8C 1s 0.000209 0.007112 0.006291 -0.006896 0.006079 -0.002690 8C 2s 0.000447 0.015337 0.013561 -0.014859 0.013046 -0.005765 8C 3s -0.000440 -0.025959 -0.022943 0.025905 -0.022389 0.010425 8C 4s -0.002463 -0.025273 -0.022493 0.020760 -0.019799 0.004884 8C 5s -0.003789 -0.033790 -0.030743 0.023509 -0.110709 0.016681 8C 1pz -0.061041 -0.024536 -0.054249 0.041688 -0.042657 0.075605 8C 1px -0.011175 -0.026868 -0.030341 0.028727 -0.030810 0.025199 8C 1py -0.039611 0.090171 0.057770 -0.078336 0.080104 0.000430 8C 2pz -0.049454 -0.019165 -0.043172 0.034406 -0.033580 0.061607 8C 2px -0.009113 -0.022531 -0.025485 0.025382 -0.026994 0.021449 8C 2py -0.033183 0.073654 0.047298 -0.066991 0.067398 -0.002733 8C 3pz -0.014326 -0.008382 -0.018414 0.016599 -0.006355 0.023094 8C 3px -0.001766 -0.006935 -0.006221 0.006565 0.000843 0.008752 8C 3py -0.011352 0.024188 0.014105 -0.024240 0.003555 0.000961 8C 1dz2 0.002414 -0.001648 -0.000248 0.001000 -0.000960 -0.001443 8C 1dxz -0.000253 0.001569 0.001195 -0.001489 0.001505 -0.000272 8C 1dyz 0.000765 -0.004454 -0.003470 0.004190 -0.004177 0.000943 8C 1dx2y2 -0.000749 -0.002682 -0.002777 0.002886 -0.002930 0.002353 8C 1dxy -0.001021 -0.002283 -0.002577 0.002537 -0.002577 0.002222 8C 2dz2 0.004329 -0.002964 -0.000155 0.001900 -0.002236 -0.002026 8C 2dxz 0.000895 0.001074 0.001246 -0.001446 0.001206 -0.001544 8C 2dyz -0.000943 -0.005497 -0.005506 0.007038 -0.008084 0.003915 8C 2dx2y2 0.001557 -0.003260 -0.002193 0.003570 -0.003265 0.001520 8C 2dxy -0.000443 -0.002672 -0.002614 0.003157 -0.003252 0.002639 8C 1f0 0.000072 0.000742 0.000691 -0.000828 0.000893 -0.000514 8C 1f+1 -0.000411 0.000138 -0.000075 -0.000011 -0.000018 0.000278 8C 1f-1 0.001118 0.000103 0.000597 -0.000407 0.000451 -0.000844 8C 1f+2 -0.000051 -0.000082 -0.000073 -0.000053 0.000115 -0.000085 8C 1f-2 0.000433 -0.000036 0.000213 -0.000175 0.000272 -0.000508 8C 1f+3 0.000487 -0.000719 -0.000396 0.000643 -0.000764 0.000074 8C 1f-3 -0.000591 0.000588 0.000255 -0.000525 0.000594 0.000114 9C 1s -0.000255 -0.006507 0.006872 -0.007073 -0.006054 0.000847 9C 2s -0.000547 -0.014007 0.014789 -0.015212 -0.012965 0.001804 9C 3s 0.001125 0.023005 -0.024158 0.025652 0.021494 -0.003130 9C 4s 0.000189 0.026641 -0.028545 0.025533 0.023352 -0.000994 9C 5s -0.002965 0.028682 -0.032749 0.019770 0.107708 -0.007590 9C 1pz -0.034389 0.059706 -0.085996 0.079342 0.076452 -0.071018 9C 1px -0.022935 0.010978 -0.025355 0.020659 0.018646 -0.038150 9C 1py 0.060908 0.061640 -0.030617 0.048982 0.053002 0.083998 9C 2pz -0.027568 0.047580 -0.068975 0.066234 0.062838 -0.057693 9C 2px -0.018410 0.009838 -0.021161 0.018484 0.017331 -0.030196 9C 2py 0.050095 0.049183 -0.023999 0.040619 0.042791 0.065703 9C 3pz -0.008157 0.015689 -0.023218 0.024970 0.003531 -0.023346 9C 3px -0.005451 -0.001802 -0.003656 0.002757 -0.003772 -0.013340 9C 3py 0.015252 0.017275 -0.007439 0.016134 0.003950 0.027498 9C 1dz2 0.001000 -0.002532 0.003289 -0.003179 -0.003053 0.001650 9C 1dxz -0.001105 -0.001479 0.000912 -0.001254 -0.001338 -0.001745 9C 1dyz -0.000723 -0.004476 0.004497 -0.004876 -0.004744 0.000264 9C 1dx2y2 0.000280 0.001199 -0.001220 0.001289 0.001330 -0.000400 9C 1dxy 0.002239 -0.000319 0.001650 -0.001109 -0.000879 0.003718 9C 2dz2 0.003360 -0.001492 0.003775 -0.003486 -0.003535 0.004835 9C 2dxz 0.000696 -0.000135 0.000610 -0.000849 -0.000108 0.000812 9C 2dyz -0.002520 -0.005661 0.004730 -0.006664 -0.007588 -0.000982 9C 2dx2y2 0.002079 0.001436 -0.000485 0.001252 0.000949 0.001459 9C 2dxy 0.001711 -0.000820 0.002214 -0.002098 -0.002129 0.003041 9C 1f0 -0.000922 -0.000323 -0.000116 -0.000080 -0.000078 -0.000960 9C 1f+1 -0.000636 0.000123 -0.000466 0.000383 0.000388 -0.000860 9C 1f-1 -0.000082 0.000582 -0.000709 0.000844 0.000974 -0.000368 9C 1f+2 -0.000919 -0.000237 -0.000243 -0.000068 -0.000226 -0.000929 9C 1f-2 -0.000082 -0.000220 0.000203 -0.000132 -0.000149 -0.000031 9C 1f+3 0.000236 0.000657 -0.000588 0.000686 0.000696 0.000180 9C 1f-3 0.000341 0.000337 -0.000196 0.000291 0.000367 0.000263 10H 1s 0.006186 -0.022318 0.021417 0.021437 0.021843 -0.004648 10H 2s 0.008933 -0.029653 0.027501 0.028450 0.029271 -0.007453 10H 3s 0.003272 -0.000193 -0.000303 0.000344 -0.005269 -0.002581 10H 1pz 0.001968 0.000342 -0.001613 -0.001019 -0.000925 -0.003140 10H 1px -0.000101 0.003670 -0.003981 -0.003835 -0.004006 -0.000574 10H 1py -0.001951 0.001712 -0.000757 -0.001215 -0.001300 0.002822 11H 1s -0.032199 -0.014509 0.035477 0.025467 0.023704 0.055342 11H 2s -0.042842 -0.017967 0.045889 0.032903 0.029350 0.075581 11H 3s -0.012681 -0.005677 0.011753 0.009660 0.006453 0.017564 11H 1pz -0.002432 0.000968 0.000318 -0.000284 -0.000528 0.003740 11H 1px -0.002742 -0.000806 0.002561 0.001700 0.001350 0.004759 11H 1py -0.000018 0.003006 -0.003393 -0.003226 -0.003159 -0.000733 12H 1s 0.026501 -0.029312 0.016644 0.022665 0.023858 -0.038020 12H 2s 0.035421 -0.038301 0.021409 0.029981 0.030954 -0.052163 12H 3s 0.011298 -0.008043 0.003127 0.005989 0.002482 -0.015717 12H 1pz 0.000611 0.003234 -0.003920 -0.003597 -0.003594 -0.001605 12H 1px 0.002733 -0.001569 0.000122 0.000800 0.000790 -0.004112 12H 1py 0.001953 -0.001906 0.000950 0.001456 0.001504 -0.002936 13H 1s -0.009810 0.020530 0.023687 0.022469 -0.022676 -0.018822 13H 2s -0.013335 0.026600 0.031671 0.030341 -0.030866 -0.025812 13H 3s -0.003950 -0.000114 0.000316 -0.000461 0.005689 -0.005038 13H 1pz 0.001038 0.001249 0.000620 0.001048 -0.001080 0.000561 13H 1px 0.001426 -0.003496 -0.004029 -0.003811 0.004021 0.002994 13H 1py 0.002134 0.002325 0.000974 0.001646 -0.001692 0.001209 14H 1s -0.023465 0.016943 0.028288 0.021721 -0.023396 -0.032591 14H 2s -0.030992 0.021656 0.036834 0.028247 -0.030080 -0.044151 14H 3s -0.010128 0.000978 0.005795 0.003971 -0.000013 -0.009289 14H 1pz 0.000120 0.000327 0.000262 0.000249 -0.000364 -0.000119 14H 1px -0.002948 0.001258 0.002757 0.001915 -0.001987 -0.003757 14H 1py 0.001150 0.003775 0.002885 0.003364 -0.003479 -0.000498 15H 1s 0.033495 0.035146 0.014119 0.024958 -0.024421 0.021166 15H 2s 0.044727 0.045619 0.017725 0.031977 -0.030088 0.029277 15H 3s 0.013347 0.011138 0.005456 0.009070 -0.006782 0.011082 15H 1pz -0.001143 -0.004205 -0.003175 -0.003683 0.003568 0.000586 15H 1px 0.001631 0.000139 -0.000754 -0.000271 0.000479 0.001732 15H 1py -0.003193 -0.000990 0.000757 -0.000069 -0.000179 -0.003020 16H 1s 0.000002 0.004140 0.008170 0.002128 0.001088 -0.002541 16H 2s -0.000396 0.004953 0.010059 -0.001535 -0.000842 -0.004768 16H 3s -0.000099 0.005648 -0.002589 0.003516 -0.001548 -0.000926 16H 1pz 0.000087 0.000528 0.000566 0.000099 0.000058 -0.000601 16H 1px 0.000117 -0.000169 0.000346 0.000774 0.000222 -0.000149 16H 1py -0.000175 -0.000796 0.000891 0.000248 0.000278 0.000260 17H 1s 0.000081 0.004780 -0.007559 0.001532 -0.001657 -0.001175 17H 2s -0.000714 0.005594 -0.010096 -0.002234 -0.000480 -0.003442 17H 3s -0.000295 0.005478 0.002826 0.003262 0.001082 -0.000988 17H 1pz -0.000162 -0.000465 0.000300 -0.000466 0.000172 0.000512 17H 1px 0.000109 -0.000515 0.000105 0.000624 -0.000096 0.000285 17H 1py -0.000114 -0.000663 -0.000957 0.000220 -0.000293 0.000226 18H 1s 0.000080 -0.004984 0.007512 0.001205 -0.001669 0.001261 18H 2s -0.000802 -0.005852 0.009867 -0.002669 -0.000586 0.003516 18H 3s -0.000287 -0.005428 -0.002790 0.003346 0.001019 0.000992 18H 1pz 0.000157 -0.000474 0.000322 0.000452 -0.000170 0.000513 18H 1px -0.000122 -0.000507 0.000073 -0.000632 0.000085 0.000282 18H 1py 0.000116 -0.000656 -0.000965 -0.000180 0.000299 0.000231 19H 1s 0.000002 -0.003963 -0.008182 0.002435 0.001111 0.002478 19H 2s -0.000316 -0.004677 -0.010263 -0.001151 -0.000859 0.004746 19H 3s -0.000112 -0.005746 0.002596 0.003382 -0.001591 0.000950 19H 1pz -0.000095 0.000535 0.000568 -0.000119 -0.000056 -0.000604 19H 1px -0.000110 -0.000163 0.000305 -0.000787 -0.000229 -0.000142 19H 1py 0.000171 -0.000795 0.000880 -0.000295 -0.000273 0.000259 20H 1s 0.033384 -0.035210 -0.012906 0.025145 -0.024852 -0.020562 20H 2s 0.044570 -0.045706 -0.016135 0.032192 -0.030681 -0.028472 20H 3s 0.013354 -0.011138 -0.004973 0.009128 -0.006914 -0.010906 20H 1pz 0.001151 -0.004222 -0.003030 0.003778 -0.003582 0.000630 20H 1px -0.001660 0.000173 -0.000751 0.000284 -0.000434 0.001744 20H 1py 0.003158 -0.000977 0.000791 0.000013 0.000138 -0.002970 21H 1s -0.023437 -0.016982 -0.027766 0.022797 -0.022995 0.032700 21H 2s -0.030959 -0.021728 -0.036177 0.029669 -0.029539 0.044291 21H 3s -0.010169 -0.001031 -0.005815 0.004281 0.000032 0.009250 21H 1pz -0.000084 0.000341 0.000285 -0.000277 0.000384 -0.000169 21H 1px 0.002937 0.001248 0.002702 -0.002009 0.001919 -0.003745 21H 1py -0.001150 0.003787 0.002755 -0.003451 0.003488 -0.000547 22H 1s -0.009408 -0.020667 -0.022827 0.023294 -0.022482 0.018623 22H 2s -0.012776 -0.026793 -0.030499 0.031452 -0.030593 0.025508 22H 3s -0.003816 0.000102 -0.000304 -0.000457 0.005788 0.004846 22H 1pz -0.001076 0.001245 0.000541 -0.001043 0.001073 0.000588 22H 1px -0.001378 -0.003527 -0.003900 0.003961 -0.004004 0.002989 22H 1py -0.002118 0.002311 0.000885 -0.001645 0.001701 0.001168 23H 1s 0.026705 0.029074 -0.015426 0.023608 0.024367 0.037978 23H 2s 0.035672 0.037962 -0.019794 0.031184 0.031595 0.052105 23H 3s 0.011373 0.008087 -0.002945 0.006353 0.002886 0.015810 23H 1pz -0.000569 0.003193 -0.003761 0.003770 0.003596 -0.001627 23H 1px -0.002679 -0.001503 0.000036 -0.000772 -0.000778 -0.004033 23H 1py -0.002016 -0.001903 0.000856 -0.001513 -0.001537 -0.003016 24H 1s -0.031668 0.014186 -0.034439 0.026828 0.023321 -0.055223 24H 2s -0.042182 0.017501 -0.044547 0.034640 0.028804 -0.075407 24H 3s -0.012525 0.005481 -0.011353 0.010052 0.006208 -0.017588 24H 1pz 0.002373 0.000970 0.000316 0.000298 0.000568 0.003644 24H 1px 0.002747 -0.000806 0.002546 -0.001834 -0.001347 0.004823 24H 1py 0.000089 0.002963 -0.003220 0.003364 0.003164 -0.000687 25H 1s 0.005803 0.021975 -0.020619 0.022456 0.021977 0.003552 25H 2s 0.008387 0.029214 -0.026482 0.029805 0.029496 0.005914 25H 3s 0.003045 0.000156 0.000240 0.000319 -0.005308 0.002332 25H 1pz -0.001911 0.000311 -0.001539 0.001051 0.000875 -0.003076 25H 1px 0.000054 0.003600 -0.003830 0.004014 0.004015 -0.000738 25H 1py 0.001963 0.001742 -0.000733 0.001311 0.001385 0.002814 26O 1s 0.000093 -0.006798 0.007879 0.007850 0.008038 -0.000390 26O 2s 0.000211 -0.016311 0.018904 0.018821 0.019327 -0.000945 26O 3s -0.000098 0.024686 -0.028586 -0.028155 -0.029917 0.001722 26O 4s -0.001565 0.038584 -0.044548 -0.045050 -0.041322 0.001115 26O 5s 0.000605 0.032099 -0.042993 -0.047424 -0.062113 0.003470 26O 1pz 0.048498 -0.070879 0.053843 0.063583 0.063524 -0.046194 26O 1px 0.030025 0.065604 -0.091320 -0.082142 -0.087718 -0.041509 26O 1py -0.083757 0.011171 0.030503 0.010262 0.003282 0.089023 26O 2pz 0.040822 -0.059538 0.044491 0.053502 0.053270 -0.038821 26O 2px 0.025596 0.050799 -0.071984 -0.064086 -0.069391 -0.034518 26O 2py -0.070174 0.008546 0.027696 0.010567 0.004338 0.075360 26O 3pz 0.020840 -0.030577 0.027276 0.030416 0.021831 -0.019023 26O 3px 0.013289 0.033952 -0.039760 -0.025839 -0.038766 -0.017345 26O 3py -0.037449 0.003472 0.012321 0.009069 -0.002380 0.044191 26O 1dz2 0.000242 0.000634 -0.000857 -0.000860 -0.000951 -0.000076 26O 1dxz -0.001042 0.001852 -0.001406 -0.001609 -0.001557 0.001101 26O 1dyz -0.000501 0.000723 -0.000517 -0.000597 -0.000610 0.000236 26O 1dx2y2 -0.001281 -0.001192 0.002209 0.001865 0.001873 0.001953 26O 1dxy 0.001693 -0.000529 -0.000378 0.000186 0.000387 -0.001810 26O 2dz2 0.001009 0.000884 -0.001486 -0.001003 -0.002208 -0.000696 26O 2dxz -0.002887 0.006997 -0.006203 -0.006638 -0.006676 0.002817 26O 2dyz -0.001889 0.002162 -0.001407 -0.001973 -0.002206 0.002095 26O 2dx2y2 -0.003531 -0.003440 0.005866 0.004382 0.005568 0.004852 26O 2dxy 0.005012 -0.000325 -0.002671 -0.001581 -0.000174 -0.005865 26O 1f0 -0.000199 0.000576 -0.000595 -0.000622 -0.000635 0.000240 26O 1f+1 0.000154 -0.000672 0.000730 0.000705 0.000890 -0.000097 26O 1f-1 0.000470 -0.000287 0.000106 0.000169 0.000290 -0.000473 26O 1f+2 0.000749 -0.000647 0.000361 0.000517 0.000531 -0.000786 26O 1f-2 0.000349 -0.000669 0.000523 0.000644 0.000674 -0.000282 26O 1f+3 -0.001263 -0.000528 0.001196 0.000876 0.000950 0.001603 26O 1f-3 0.000436 -0.000502 0.000300 0.000350 0.000585 -0.000489 27O 1s -0.000021 0.007497 0.007275 0.008253 -0.008305 -0.000162 27O 2s -0.000035 0.017967 0.017432 0.019765 -0.019949 -0.000340 27O 3s -0.000207 -0.026906 -0.026080 -0.029288 0.030633 -0.000564 27O 4s 0.001446 -0.043024 -0.042053 -0.047834 0.043318 0.005672 27O 5s -0.000226 -0.042359 -0.037997 -0.055923 0.065887 -0.002945 27O 1pz 0.083832 0.071149 0.026463 0.050462 -0.049185 0.038289 27O 1px 0.016828 -0.069609 -0.073419 -0.077607 0.084537 0.032494 27O 1py 0.053085 -0.038365 -0.061379 -0.049065 0.050440 0.047707 27O 2pz 0.070291 0.059015 0.020743 0.041732 -0.040554 0.032275 27O 2px 0.013428 -0.053406 -0.056897 -0.058709 0.065956 0.024783 27O 2py 0.044944 -0.031849 -0.052040 -0.042194 0.042918 0.041184 27O 3pz 0.037918 0.031374 0.014748 0.019545 -0.017448 0.016858 27O 3px 0.007969 -0.029658 -0.033113 -0.022567 0.037426 0.011555 27O 3py 0.022792 -0.022006 -0.026472 -0.023017 0.015935 0.024454 27O 1dz2 0.000632 -0.000374 -0.000665 -0.000668 0.000752 0.000393 27O 1dxz -0.001877 -0.002024 -0.000829 -0.001483 0.001424 -0.000789 27O 1dyz 0.000243 -0.000006 -0.000176 -0.000106 0.000062 0.000214 27O 1dx2y2 -0.000450 0.001498 0.001661 0.001828 -0.001957 -0.001100 27O 1dxy -0.001202 0.000969 0.001579 0.001157 -0.001148 -0.001303 27O 2dz2 0.002184 -0.000008 -0.001240 -0.000315 0.001351 0.001549 27O 2dxz -0.005491 -0.006748 -0.003383 -0.005064 0.005404 -0.002428 27O 2dyz 0.000645 -0.000591 -0.000795 -0.000426 0.000314 0.001512 27O 2dx2y2 -0.000901 0.002866 0.003455 0.002736 -0.004765 -0.001455 27O 2dxy -0.003954 0.004894 0.006581 0.005978 -0.005728 -0.004313 27O 1f0 -0.000825 -0.000835 -0.000421 -0.000625 0.000711 -0.000300 27O 1f+1 -0.000103 0.000360 0.000453 0.000373 -0.000552 -0.000180 27O 1f-1 -0.000476 0.000046 0.000303 0.000197 -0.000191 -0.000329 27O 1f+2 0.000928 0.000856 0.000377 0.000648 -0.000684 0.000497 27O 1f-2 -0.000647 -0.000351 -0.000046 -0.000217 0.000257 -0.000331 27O 1f+3 -0.000625 0.000933 0.001108 0.001009 -0.001298 -0.000811 27O 1f-3 -0.000623 0.000468 0.000722 0.000634 -0.000607 -0.000679 28O 1s -0.000239 -0.006832 0.007908 0.008024 0.007999 -0.000389 28O 2s -0.000587 -0.016368 0.018965 0.019228 0.019231 -0.000947 28O 3s 0.001073 0.024428 -0.028582 -0.028579 -0.029717 0.001864 28O 4s 0.000592 0.039952 -0.045210 -0.046753 -0.041271 0.000119 28O 5s 0.001778 0.036404 -0.040223 -0.051883 -0.063070 0.004858 28O 1pz 0.051134 -0.020742 -0.003744 0.006028 0.004191 -0.052631 28O 1px 0.029703 -0.092172 0.088082 0.093824 0.099124 -0.023164 28O 1py -0.082735 -0.017500 0.063701 0.042425 0.037449 0.093146 28O 2pz 0.042727 -0.019897 -0.000873 0.008991 0.006124 -0.043335 28O 2px 0.024848 -0.073563 0.069531 0.073954 0.079360 -0.020038 28O 2py -0.069210 -0.014132 0.053763 0.036097 0.031603 0.078190 28O 3pz 0.023522 -0.008680 -0.001320 0.006379 -0.004623 -0.022212 28O 3px 0.013367 -0.040722 0.041921 0.032013 0.041809 -0.012347 28O 3py -0.036832 -0.010979 0.026491 0.018532 0.011492 0.045495 28O 1dz2 -0.000992 0.001582 -0.001132 -0.001337 -0.001341 0.001234 28O 1dxz 0.000660 0.000421 -0.000865 -0.000867 -0.000972 -0.000663 28O 1dyz 0.001029 0.000253 -0.000941 -0.000596 -0.000539 -0.001500 28O 1dx2y2 0.000682 -0.001800 0.001631 0.001860 0.001900 -0.000255 28O 1dxy -0.001681 -0.000390 0.001474 0.000935 0.000789 0.002034 28O 2dz2 -0.002620 0.005360 -0.004461 -0.004965 -0.005145 0.003095 28O 2dxz 0.002362 -0.000686 -0.000833 0.000367 -0.001371 -0.002211 28O 2dyz 0.002820 0.001293 -0.003160 -0.002431 -0.002393 -0.003352 28O 2dx2y2 0.002360 -0.005250 0.004707 0.004542 0.005996 -0.002018 28O 2dxy -0.005006 -0.002400 0.005607 0.004108 0.003640 0.006404 28O 1f0 0.000786 -0.000787 0.000533 0.000646 0.000821 -0.000796 28O 1f+1 -0.000823 0.000680 -0.000378 -0.000569 -0.000536 0.000897 28O 1f-1 -0.000143 -0.000287 0.000359 0.000344 0.000383 0.000301 28O 1f+2 0.000319 0.000643 -0.000929 -0.000763 -0.000992 -0.000412 28O 1f-2 0.001043 0.000157 -0.000706 -0.000495 -0.000422 -0.001260 28O 1f+3 -0.000093 0.000755 -0.000732 -0.000738 -0.000874 0.000008 28O 1f-3 0.000776 0.000127 -0.000544 -0.000349 -0.000297 -0.000985 29O 1s -0.000001 0.002001 0.000038 -0.000215 -0.000115 -0.000814 29O 2s -0.000007 0.004821 0.000085 -0.000640 -0.000276 -0.001963 29O 3s 0.000069 -0.007616 -0.000040 0.002660 0.000423 0.003043 29O 4s -0.000357 -0.010169 -0.000709 -0.007137 0.000596 0.003991 29O 5s 0.001540 -0.011347 0.001280 0.024145 0.000907 0.007590 29O 1pz 0.000067 -0.003568 -0.020742 -0.004181 -0.004062 0.003900 29O 1px 0.000259 0.007290 -0.006267 0.008060 -0.002217 -0.003123 29O 1py -0.000434 -0.020657 0.000919 -0.002632 0.001411 0.008298 29O 2pz 0.000102 -0.003187 -0.016949 -0.004063 -0.003296 0.003137 29O 2px 0.000266 0.006886 -0.005018 0.008326 -0.001817 -0.002454 29O 2py -0.000453 -0.016568 0.000757 -0.002791 0.001159 0.006874 29O 3pz 0.000135 -0.001127 -0.007321 0.001051 -0.004203 0.001667 29O 3px 0.000146 0.000922 -0.002552 -0.005606 -0.001620 -0.001017 29O 3py -0.000453 -0.013392 -0.000292 -0.003746 0.000698 0.002261 29O 1dz2 -0.000018 -0.000019 0.000350 0.000050 0.000039 -0.000030 29O 1dxz -0.000011 0.000076 -0.000359 0.000040 -0.000045 0.000001 29O 1dyz 0.000005 0.000037 0.000454 0.000070 0.000060 -0.000064 29O 1dx2y2 -0.000009 -0.000175 -0.000133 -0.000105 -0.000001 0.000085 29O 1dxy 0.000004 -0.000108 0.000194 -0.000128 0.000043 0.000045 29O 2dz2 -0.000156 -0.000513 0.000829 -0.000032 0.000106 0.000194 29O 2dxz -0.000023 0.000008 -0.000848 -0.000340 -0.000166 0.000219 29O 2dyz 0.000059 0.000193 0.001241 0.000145 0.000041 -0.000252 29O 2dx2y2 -0.000159 -0.000806 -0.000250 0.000635 -0.000092 0.000320 29O 2dxy -0.000057 -0.000230 0.000508 -0.000371 0.000045 0.000011 29O 1f0 -0.000032 -0.000056 -0.000131 -0.000115 -0.000042 0.000013 29O 1f+1 0.000029 0.000014 -0.000169 0.000050 -0.000036 0.000019 29O 1f-1 0.000004 -0.000097 -0.000096 -0.000088 -0.000030 0.000017 29O 1f+2 0.000009 0.000022 0.000057 0.000073 0.000007 -0.000006 29O 1f-2 -0.000026 -0.000053 0.000178 -0.000028 0.000067 -0.000018 29O 1f+3 -0.000023 0.000094 -0.000064 0.000089 -0.000029 -0.000012 29O 1f-3 -0.000008 0.000095 -0.000069 0.000073 -0.000040 -0.000012 30O 1s 0.000378 0.007334 0.007124 0.007578 -0.008035 -0.000155 30O 2s 0.000900 0.017584 0.017085 0.018159 -0.019315 -0.000332 30O 3s -0.001319 -0.026408 -0.025734 -0.027024 0.029784 -0.000455 30O 4s -0.001944 -0.042436 -0.040774 -0.044170 0.041779 0.005295 30O 5s -0.002381 -0.033613 -0.037246 -0.045525 0.062629 -0.003733 30O 1pz 0.081694 0.016192 -0.025141 -0.003348 0.011036 0.055686 30O 1px 0.019269 0.103756 0.088833 0.099328 -0.105838 -0.017869 30O 1py 0.056632 -0.008110 -0.033118 -0.021265 0.017614 0.039120 30O 2pz 0.068233 0.016061 -0.019512 -0.000273 0.007043 0.045118 30O 2px 0.015923 0.083162 0.070692 0.079469 -0.085165 -0.013536 30O 2py 0.047405 -0.008458 -0.030013 -0.020605 0.016915 0.034507 30O 3pz 0.036577 0.002811 -0.009412 0.004296 0.008652 0.024149 30O 3px 0.008748 0.049578 0.041298 0.036304 -0.043146 -0.006330 30O 3py 0.025372 -0.003050 -0.012703 -0.013937 0.002115 0.020711 30O 1dz2 -0.001414 -0.001393 -0.000486 -0.001003 0.000962 -0.000819 30O 1dxz 0.001423 -0.000499 -0.001292 -0.001004 0.001181 0.001277 30O 1dyz 0.000116 0.000563 0.000387 0.000422 -0.000315 0.000006 30O 1dx2y2 -0.000123 0.002141 0.002100 0.002196 -0.002225 -0.001054 30O 1dxy 0.001346 0.000688 -0.000039 0.000450 -0.000595 0.000629 30O 2dz2 -0.003746 -0.004128 -0.001804 -0.002870 0.003103 -0.001770 30O 2dxz 0.004540 -0.000497 -0.002832 -0.001180 0.002823 0.003346 30O 2dyz 0.000348 0.002359 0.002053 0.002574 -0.002037 0.000232 30O 2dx2y2 -0.000062 0.007326 0.006861 0.006976 -0.007851 -0.002255 30O 2dxy 0.003794 0.000208 -0.001808 -0.001098 -0.000150 0.003191 30O 1f0 0.000215 0.000351 0.000280 0.000285 -0.000395 0.000115 30O 1f+1 -0.001024 -0.000647 -0.000147 -0.000420 0.000386 -0.000587 30O 1f-1 -0.001128 -0.000503 0.000048 -0.000276 0.000233 -0.000657 30O 1f+2 0.000425 -0.000837 -0.001003 -0.000940 0.001110 0.000660 30O 1f-2 0.000049 -0.000137 -0.000124 -0.000049 0.000262 0.000127 30O 1f+3 0.000482 -0.000662 -0.000775 -0.000759 0.000785 0.000581 30O 1f-3 -0.000326 -0.000869 -0.000630 -0.000757 0.000946 0.000013 31O 1s 0.000422 -0.007361 -0.006845 0.007794 -0.008041 0.000234 31O 2s 0.001005 -0.017647 -0.016417 0.018679 -0.019328 0.000521 31O 3s -0.001480 0.026498 0.024743 -0.027810 0.029812 0.000162 31O 4s -0.002178 0.042607 0.039129 -0.045399 0.041773 -0.005705 31O 5s -0.002743 0.033939 0.035671 -0.046696 0.062656 0.003193 31O 1pz -0.081311 0.016235 -0.025714 0.004577 -0.010104 0.055224 31O 1px -0.019702 0.104073 0.084970 -0.101993 0.105884 -0.018836 31O 1py -0.056274 -0.008159 -0.032697 0.022659 -0.017054 0.038830 31O 2pz -0.067928 0.016121 -0.020088 0.001260 -0.006274 0.044725 31O 2px -0.016251 0.083401 0.067601 -0.081587 0.085212 -0.014326 31O 2py -0.047078 -0.008528 -0.029555 0.021856 -0.016431 0.034266 31O 3pz -0.036408 0.002931 -0.009873 -0.003850 -0.008218 0.023944 31O 3px -0.008947 0.049601 0.039836 -0.037559 0.043203 -0.006734 31O 3py -0.025252 -0.003102 -0.012320 0.014403 -0.001802 0.020542 31O 1dz2 -0.001411 0.001397 0.000436 -0.001008 0.000979 0.000800 31O 1dxz 0.001412 0.000502 0.001267 -0.001053 0.001164 -0.001277 31O 1dyz 0.000116 -0.000564 -0.000368 0.000434 -0.000319 -0.000002 31O 1dx2y2 -0.000112 -0.002149 -0.002018 0.002264 -0.002217 0.001068 31O 1dxy 0.001341 -0.000690 0.000065 0.000439 -0.000606 -0.000614 31O 2dz2 -0.003747 0.004137 0.001665 -0.002902 0.003145 0.001715 31O 2dxz 0.004510 0.000492 0.002831 -0.001300 0.002774 -0.003339 31O 2dyz 0.000355 -0.002374 -0.001954 0.002636 -0.002044 -0.000206 31O 2dx2y2 -0.000021 -0.007342 -0.006597 0.007189 -0.007834 0.002308 31O 2dxy 0.003766 -0.000190 0.001793 -0.001184 -0.000192 -0.003155 31O 1f0 -0.000216 0.000352 0.000268 -0.000293 0.000398 0.000109 31O 1f+1 0.001022 -0.000649 -0.000123 0.000419 -0.000398 -0.000575 31O 1f-1 0.001124 -0.000505 0.000067 0.000269 -0.000245 -0.000647 31O 1f+2 -0.000419 -0.000839 -0.000972 0.000974 -0.001103 0.000666 31O 1f-2 -0.000048 -0.000136 -0.000123 0.000053 -0.000260 0.000128 31O 1f+3 -0.000477 -0.000665 -0.000750 0.000786 -0.000778 0.000583 31O 1f-3 0.000328 -0.000870 -0.000600 0.000774 -0.000948 0.000023 32O 1s -0.000001 -0.001998 -0.000091 -0.000224 -0.000115 0.000821 32O 2s -0.000008 -0.004810 -0.000218 -0.000664 -0.000277 0.001980 32O 3s 0.000071 0.007580 0.000316 0.002704 0.000428 -0.003069 32O 4s -0.000352 0.010228 0.000647 -0.007120 0.000576 -0.004032 32O 5s 0.001551 0.011158 -0.000020 0.024279 0.001045 -0.007627 32O 1pz -0.000100 -0.002623 -0.020708 0.004906 0.004151 0.003498 32O 1px -0.000269 0.007723 -0.006289 -0.007816 0.002193 -0.003283 32O 1py 0.000421 -0.020704 0.000030 0.002537 -0.001278 0.008428 32O 2pz -0.000141 -0.002419 -0.016902 0.004634 0.003371 0.002813 32O 2px -0.000280 0.007250 -0.005091 -0.008133 0.001799 -0.002584 32O 2py 0.000442 -0.016608 0.000075 0.002714 -0.001045 0.006982 32O 3pz -0.000254 -0.000671 -0.007383 -0.000831 0.004225 0.001449 32O 3px -0.000186 0.001047 -0.002232 0.005694 0.001547 -0.001082 32O 3py 0.000456 -0.013421 -0.000634 0.003709 -0.000525 0.002317 32O 1dz2 -0.000017 0.000027 -0.000327 0.000061 0.000038 0.000024 32O 1dxz -0.000012 -0.000086 0.000369 0.000027 -0.000048 0.000003 32O 1dyz 0.000006 -0.000021 -0.000461 0.000088 0.000062 0.000059 32O 1dx2y2 -0.000009 0.000172 0.000144 -0.000110 -0.000003 -0.000085 32O 1dxy 0.000004 0.000116 -0.000183 -0.000121 0.000042 -0.000048 32O 2dz2 -0.000158 0.000541 -0.000761 -0.000006 0.000092 -0.000215 32O 2dxz -0.000018 -0.000031 0.000865 -0.000364 -0.000173 -0.000211 32O 2dyz 0.000045 -0.000127 -0.001258 0.000201 0.000050 0.000223 32O 2dx2y2 -0.000157 0.000792 0.000327 0.000632 -0.000108 -0.000323 32O 2dxy -0.000061 0.000257 -0.000490 -0.000350 0.000034 -0.000027 32O 1f0 0.000031 -0.000048 -0.000124 0.000114 0.000043 0.000011 32O 1f+1 -0.000031 0.000021 -0.000175 -0.000046 0.000036 0.000018 32O 1f-1 -0.000004 -0.000098 -0.000098 0.000094 0.000032 0.000017 32O 1f+2 -0.000008 0.000027 0.000056 -0.000079 -0.000008 -0.000006 32O 1f-2 0.000026 -0.000057 0.000176 0.000019 -0.000066 -0.000015 32O 1f+3 0.000023 0.000093 -0.000059 -0.000085 0.000028 -0.000013 32O 1f-3 0.000008 0.000097 -0.000072 -0.000069 0.000041 -0.000014 33O 1s -0.000188 0.006714 -0.007542 0.008391 0.008062 0.000304 33O 2s -0.000464 0.016086 -0.018088 0.020107 0.019383 0.000745 33O 3s 0.000881 -0.024003 0.027270 -0.029901 -0.029951 -0.001564 33O 4s 0.000341 -0.039299 0.043131 -0.048851 -0.041613 0.000387 33O 5s 0.001424 -0.035750 0.037757 -0.053764 -0.063456 -0.004221 33O 1pz -0.051107 -0.020899 -0.004254 -0.006108 -0.004721 -0.052648 33O 1px -0.030059 -0.090835 0.083670 -0.097967 -0.099881 -0.021889 33O 1py 0.081788 -0.017169 0.062346 -0.044914 -0.036885 0.093213 33O 2pz -0.042706 -0.019982 -0.001480 -0.009156 -0.006564 -0.043290 33O 2px -0.025110 -0.072489 0.066045 -0.077227 -0.079967 -0.019015 33O 2py 0.068421 -0.013861 0.052615 -0.038205 -0.031137 0.078264 33O 3pz -0.023534 -0.008813 -0.001639 -0.006411 0.004334 -0.022344 33O 3px -0.013536 -0.040160 0.040350 -0.033978 -0.042157 -0.011817 33O 3py 0.036351 -0.010874 0.025910 -0.019565 -0.011212 0.045355 33O 1dz2 -0.000996 -0.001566 0.001068 -0.001394 -0.001360 -0.001216 33O 1dxz 0.000659 -0.000402 0.000827 -0.000901 -0.000967 0.000679 33O 1dyz 0.001013 -0.000250 0.000921 -0.000632 -0.000529 0.001498 33O 1dx2y2 0.000687 0.001776 -0.001546 0.001939 0.001915 0.000229 33O 1dxy -0.001664 0.000382 -0.001444 0.000992 0.000777 -0.002039 33O 2dz2 -0.002637 -0.005295 0.004220 -0.005180 -0.005199 -0.003024 33O 2dxz 0.002367 0.000713 0.000852 0.000348 -0.001345 0.002233 33O 2dyz 0.002774 -0.001269 0.003069 -0.002567 -0.002385 0.003360 33O 2dx2y2 0.002367 0.005179 -0.004491 0.004773 0.006049 0.001931 33O 2dxy -0.004942 0.002360 -0.005455 0.004336 0.003608 -0.006431 33O 1f0 -0.000785 -0.000775 0.000497 -0.000671 -0.000829 -0.000784 33O 1f+1 0.000824 0.000676 -0.000349 0.000591 0.000548 0.000890 33O 1f-1 0.000135 -0.000285 0.000344 -0.000360 -0.000383 0.000299 33O 1f+2 -0.000316 0.000631 -0.000897 0.000803 0.000993 -0.000427 33O 1f-2 -0.001030 0.000153 -0.000690 0.000522 0.000414 -0.001259 33O 1f+3 0.000094 0.000747 -0.000701 0.000775 0.000881 -0.000006 33O 1f-3 -0.000770 0.000124 -0.000533 0.000369 0.000290 -0.000988 34O 1s 0.000024 -0.007520 -0.006958 0.008484 -0.008314 0.000230 34O 2s 0.000074 -0.018021 -0.016673 0.020318 -0.019973 0.000504 34O 3s -0.000369 0.026982 0.024954 -0.030111 0.030677 0.000305 34O 4s 0.001185 0.043166 0.040217 -0.049178 0.043331 -0.005998 34O 5s -0.000623 0.042641 0.035917 -0.057145 0.065946 0.002407 34O 1pz -0.083691 0.071409 0.023999 -0.050865 0.050085 0.037259 34O 1px -0.016428 -0.069808 -0.070616 0.080058 -0.084277 0.033031 34O 1py -0.052572 -0.038538 -0.059990 0.051263 -0.049774 0.047754 34O 2pz -0.070169 0.059228 0.018692 -0.042008 0.041308 0.031428 34O 2px -0.013153 -0.053536 -0.054792 0.060614 -0.065757 0.025220 34O 2py -0.044499 -0.032005 -0.050838 0.044068 -0.042349 0.041214 34O 3pz -0.037835 0.031485 0.013781 -0.019891 0.017884 0.016378 34O 3px -0.007790 -0.029591 -0.032278 0.023623 -0.037269 0.011764 34O 3py -0.022605 -0.022096 -0.025791 0.023926 -0.015635 0.024445 34O 1dz2 0.000629 0.000375 0.000644 -0.000692 0.000747 -0.000396 34O 1dxz -0.001873 0.002030 0.000760 -0.001499 0.001446 0.000762 34O 1dyz 0.000241 0.000006 0.000174 -0.000113 0.000058 -0.000212 34O 1dx2y2 -0.000441 -0.001504 -0.001596 0.001886 -0.001948 0.001111 34O 1dxy -0.001190 -0.000973 -0.001545 0.001214 -0.001131 0.001303 34O 2dz2 0.002176 0.000001 0.001244 -0.000366 0.001325 -0.001549 34O 2dxz -0.005492 0.006768 0.003151 -0.005138 0.005466 0.002342 34O 2dyz 0.000637 0.000594 0.000786 -0.000457 0.000298 -0.001504 34O 2dx2y2 -0.000890 -0.002860 -0.003360 0.002852 -0.004749 0.001484 34O 2dxy -0.003902 -0.004920 -0.006390 0.006212 -0.005677 0.004327 34O 1f0 0.000823 -0.000838 -0.000392 0.000635 -0.000720 -0.000287 34O 1f+1 0.000102 0.000359 0.000439 -0.000387 0.000549 -0.000184 34O 1f-1 0.000472 0.000046 0.000299 -0.000210 0.000186 -0.000327 34O 1f+2 -0.000927 0.000859 0.000346 -0.000655 0.000695 0.000484 34O 1f-2 0.000646 -0.000352 -0.000033 0.000215 -0.000264 -0.000324 34O 1f+3 0.000618 0.000935 0.001076 -0.001047 0.001289 -0.000817 34O 1f-3 0.000617 0.000471 0.000703 -0.000660 0.000597 -0.000678 35O 1s 0.000145 0.006732 -0.007549 0.008220 0.008103 0.000290 35O 2s 0.000335 0.016152 -0.018113 0.019709 0.019482 0.000706 35O 3s -0.000300 -0.024442 0.027394 -0.029495 -0.030155 -0.001374 35O 4s -0.001784 -0.038216 0.042691 -0.047144 -0.041683 -0.000496 35O 5s 0.000333 -0.031809 0.040911 -0.049396 -0.062421 -0.002699 35O 1pz -0.048785 -0.069960 0.050580 -0.066233 -0.064287 -0.045553 35O 1px -0.029381 0.064824 -0.088054 0.086252 0.087935 -0.042618 35O 1py 0.083005 0.011268 0.030468 -0.011269 -0.002620 0.088598 35O 2pz -0.041047 -0.058765 0.041741 -0.055693 -0.053902 -0.038270 35O 2px -0.025058 0.050180 -0.069454 0.067321 0.069550 -0.035362 35O 2py 0.069551 0.008635 0.027594 -0.011508 -0.003797 0.075057 35O 3pz -0.021005 -0.030137 0.025734 -0.031677 -0.022132 -0.018858 35O 3px -0.012977 0.033579 -0.038711 0.027675 0.038874 -0.017805 35O 3py 0.037074 0.003513 0.012114 -0.009455 0.002757 0.043875 35O 1dz2 0.000238 -0.000625 0.000823 -0.000898 -0.000954 0.000091 35O 1dxz -0.001048 -0.001829 0.001326 -0.001678 -0.001576 -0.001082 35O 1dyz -0.000505 -0.000714 0.000486 -0.000623 -0.000616 -0.000232 35O 1dx2y2 -0.001262 0.001175 -0.002138 0.001960 0.001869 -0.001972 35O 1dxy 0.001678 0.000529 0.000393 0.000178 0.000403 0.001793 35O 2dz2 0.001000 -0.000867 0.001449 -0.001063 -0.002207 0.000730 35O 2dxz -0.002918 -0.006914 0.005886 -0.006935 -0.006739 -0.002731 35O 2dyz -0.001896 -0.002146 0.001312 -0.002052 -0.002243 -0.002068 35O 2dx2y2 -0.003478 0.003389 -0.005702 0.004640 0.005563 -0.004909 35O 2dxy 0.004961 0.000328 0.002631 -0.001681 -0.000137 0.005844 35O 1f0 0.000202 0.000567 -0.000565 0.000649 0.000640 0.000232 35O 1f+1 -0.000158 -0.000662 0.000697 -0.000737 -0.000894 -0.000086 35O 1f-1 -0.000469 -0.000283 0.000095 -0.000176 -0.000294 -0.000470 35O 1f+2 -0.000747 -0.000639 0.000333 -0.000536 -0.000540 -0.000777 35O 1f-2 -0.000354 -0.000660 0.000490 -0.000670 -0.000680 -0.000277 35O 1f+3 0.001249 -0.000519 0.001166 -0.000926 -0.000943 0.001610 35O 1f-3 -0.000432 -0.000498 0.000285 -0.000367 -0.000593 -0.000476 84 85 86 87 88 89 -0.44221 -0.43462 -0.41026 -0.40674 -0.38758 -0.38692 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s 0.000004 0.000061 -0.002093 -0.001042 0.000906 0.000046 0Rh 2s -0.000015 -0.000248 0.008016 0.003762 -0.003432 -0.000169 0Rh 3s 0.000013 0.000198 -0.007138 -0.003693 0.003112 0.000159 0Rh 4s 0.000064 0.001058 -0.033955 -0.015803 0.014540 0.000712 0Rh 5s -0.000043 -0.000944 0.026111 0.010248 -0.011150 -0.000515 0Rh 6s -0.000136 -0.001154 0.052364 0.031374 -0.022804 -0.001229 0Rh 7s 0.000720 0.000265 -0.057835 -0.045061 0.026734 0.001820 0Rh 8s -0.000400 -0.000588 -0.025190 -0.049645 0.025775 -0.000811 0Rh 1pz -0.001637 0.000054 -0.000980 -0.001984 0.000093 -0.000069 0Rh 1px -0.000495 -0.000120 0.002979 0.006290 -0.001016 -0.000035 0Rh 1py -0.000322 -0.000010 0.000434 0.001814 -0.000060 -0.000168 0Rh 2pz 0.005516 -0.000183 0.003307 0.006712 -0.000301 0.000233 0Rh 2px 0.001666 0.000404 -0.010039 -0.021273 0.003404 0.000117 0Rh 2py 0.001087 0.000034 -0.001438 -0.006104 0.000198 0.000569 0Rh 3pz -0.004148 0.000137 -0.002519 -0.005434 0.000032 -0.000175 0Rh 3px -0.001239 -0.000301 0.007506 0.017112 -0.002136 -0.000069 0Rh 3py -0.000848 -0.000035 0.000653 0.004348 -0.000052 -0.000483 0Rh 4pz -0.007688 0.000264 -0.004720 -0.008430 0.001080 -0.000345 0Rh 4px -0.002369 -0.000595 0.014773 0.027039 -0.006333 -0.000233 0Rh 4py -0.001440 -0.000017 0.003557 0.009668 -0.000621 -0.000629 0Rh 5pz -0.000086 -0.000033 0.000698 0.000064 -0.000824 0.000129 0Rh 5px 0.000062 0.000147 -0.002829 -0.000669 0.002354 0.000061 0Rh 5py 0.000040 -0.000077 -0.002757 -0.002899 0.000562 -0.000187 0Rh 6pz 0.016362 0.000230 0.008483 0.001130 -0.002516 -0.001614 0Rh 6px 0.004390 -0.000843 -0.020723 0.000289 0.002623 0.001878 0Rh 6py -0.000169 0.002349 0.011716 0.006530 -0.001252 -0.000682 0Rh 1dz2 0.001371 -0.000205 -0.013705 -0.007654 -0.002895 -0.005060 0Rh 1dxz -0.002505 -0.000293 -0.017312 -0.009591 -0.004172 0.000751 0Rh 1dyz -0.000090 0.000079 -0.005455 -0.003495 -0.000416 -0.014342 0Rh 1dx2y2 -0.000727 0.000517 0.025314 0.014230 0.005827 -0.001380 0Rh 1dxy -0.001024 0.000210 0.017370 0.010983 0.003940 -0.005412 0Rh 2dz2 -0.000043 0.000006 0.000347 0.000151 0.000053 0.000078 0Rh 2dxz 0.000085 0.000010 0.000424 0.000154 0.000084 -0.000013 0Rh 2dyz 0.000006 -0.000001 0.000141 0.000088 0.000008 0.000274 0Rh 2dx2y2 0.000028 -0.000017 -0.000581 -0.000193 -0.000098 0.000023 0Rh 2dxy 0.000036 -0.000005 -0.000461 -0.000291 -0.000093 0.000106 0Rh 3dz2 -0.001925 0.000287 0.019558 0.011082 0.004209 0.007395 0Rh 3dxz 0.003500 0.000406 0.024799 0.014035 0.006045 -0.001103 0Rh 3dyz 0.000115 -0.000115 0.007812 0.005017 0.000613 0.020816 0Rh 3dx2y2 0.001000 -0.000714 -0.036301 -0.020902 -0.008485 0.002008 0Rh 3dxy 0.001427 -0.000299 -0.024853 -0.015726 -0.005684 0.007844 0Rh 4dz2 -0.002733 0.000420 0.026770 0.014342 0.005484 0.009582 0Rh 4dxz 0.005058 0.000608 0.033624 0.017598 0.007986 -0.001417 0Rh 4dyz 0.000213 -0.000152 0.010610 0.006734 0.000758 0.027572 0Rh 4dx2y2 0.001508 -0.001077 -0.049021 -0.025887 -0.011017 0.002635 0Rh 4dxy 0.002095 -0.000410 -0.033865 -0.021280 -0.007633 0.010456 0Rh 5dz2 -0.002456 0.000163 0.019410 0.015247 0.005613 0.008900 0Rh 5dxz 0.004169 0.000227 0.024565 0.020147 0.007544 -0.001138 0Rh 5dyz 0.000202 -0.000118 0.008035 0.005917 0.000986 0.023491 0Rh 5dx2y2 0.001123 -0.000382 -0.036319 -0.030510 -0.011198 0.002219 0Rh 5dxy 0.001322 -0.000270 -0.025398 -0.018241 -0.006404 0.008542 0Rh 1f0 0.001563 -0.000001 -0.000220 -0.000966 -0.000567 -0.000353 0Rh 1f+1 0.001346 -0.000006 0.000613 0.000957 0.000530 0.000527 0Rh 1f-1 -0.002092 0.000046 0.000738 0.000402 0.000205 -0.000480 0Rh 1f+2 0.001182 0.000028 0.000639 0.001190 0.000691 -0.000309 0Rh 1f-2 -0.000508 -0.000000 0.001233 0.001098 0.000321 0.001164 0Rh 1f+3 -0.000742 0.000027 0.000236 0.001186 0.000887 -0.000103 0Rh 1f-3 0.000612 0.000016 0.001663 0.001871 0.000716 -0.000569 1Rh 1s -0.000007 0.000061 -0.002041 0.001133 -0.000905 -0.000028 1Rh 2s 0.000025 -0.000249 0.007824 -0.004111 0.003428 0.000102 1Rh 3s -0.000023 0.000198 -0.006954 0.004006 -0.003108 -0.000099 1Rh 4s -0.000106 0.001060 -0.033145 0.017280 -0.014520 -0.000429 1Rh 5s 0.000072 -0.000945 0.025564 -0.011375 0.011136 0.000298 1Rh 6s 0.000211 -0.001156 0.050819 -0.033679 0.022769 0.000787 1Rh 7s -0.000840 0.000254 -0.055549 0.047646 -0.026684 -0.001308 1Rh 8s 0.000547 -0.000522 -0.022812 0.050702 -0.025829 0.000721 1Rh 1pz -0.001639 -0.000050 0.000901 -0.002029 0.000006 -0.000143 1Rh 1px -0.000489 0.000119 -0.002674 0.006420 -0.001040 -0.000013 1Rh 1py -0.000325 0.000031 -0.000352 0.001840 -0.000052 -0.000302 1Rh 2pz 0.005523 0.000168 -0.003037 0.006864 -0.000009 0.000482 1Rh 2px 0.001647 -0.000402 0.009009 -0.021711 0.003485 0.000043 1Rh 2py 0.001096 -0.000105 0.001164 -0.006191 0.000169 0.001023 1Rh 3pz -0.004155 -0.000122 0.002288 -0.005540 -0.000203 -0.000376 1Rh 3px -0.001225 0.000300 -0.006683 0.017443 -0.002204 -0.000013 1Rh 3py -0.000857 0.000088 -0.000458 0.004395 -0.000028 -0.000850 1Rh 4pz -0.007693 -0.000251 0.004425 -0.008677 0.000699 -0.000668 1Rh 4px -0.002342 0.000589 -0.013446 0.027673 -0.006428 -0.000119 1Rh 4py -0.001450 0.000118 -0.003121 0.009859 -0.000588 -0.001213 1Rh 5pz -0.000093 0.000036 -0.000759 0.000142 -0.000791 0.000159 1Rh 5px 0.000059 -0.000147 0.002774 -0.000765 0.002347 0.000024 1Rh 5py 0.000035 0.000068 0.002619 -0.003023 0.000566 -0.000145 1Rh 6pz 0.016384 -0.000079 -0.008233 0.001172 -0.002117 -0.001274 1Rh 6px 0.004352 0.000914 0.020933 -0.000854 0.002745 0.001883 1Rh 6py -0.000131 -0.002445 -0.011300 0.007000 -0.001317 -0.000116 1Rh 1dz2 -0.001423 -0.000202 -0.013230 0.008130 0.002773 0.005089 1Rh 1dxz 0.002479 -0.000304 -0.016882 0.010481 0.004454 -0.000318 1Rh 1dyz 0.000185 0.000087 -0.005320 0.003785 0.000461 0.014280 1Rh 1dx2y2 0.000644 0.000504 0.024468 -0.015194 -0.005668 0.001015 1Rh 1dxy 0.001017 0.000203 0.016866 -0.011803 -0.003949 0.005744 1Rh 2dz2 0.000044 0.000006 0.000337 -0.000163 -0.000050 -0.000079 1Rh 2dxz -0.000085 0.000010 0.000418 -0.000176 -0.000092 0.000001 1Rh 2dyz -0.000008 -0.000001 0.000139 -0.000097 -0.000010 -0.000272 1Rh 2dx2y2 -0.000026 -0.000017 -0.000567 0.000215 0.000093 -0.000013 1Rh 2dxy -0.000036 -0.000004 -0.000447 0.000312 0.000093 -0.000117 1Rh 3dz2 0.002003 0.000283 0.018872 -0.011758 -0.004032 -0.007435 1Rh 3dxz -0.003461 0.000420 0.024164 -0.015310 -0.006450 0.000482 1Rh 3dyz -0.000249 -0.000126 0.007614 -0.005430 -0.000675 -0.020724 1Rh 3dx2y2 -0.000879 -0.000695 -0.035065 0.022283 0.008254 -0.001487 1Rh 3dxy -0.001416 -0.000290 -0.024133 0.016906 0.005698 -0.008319 1Rh 4dz2 0.002830 0.000415 0.025857 -0.015271 -0.005244 -0.009640 1Rh 4dxz -0.005008 0.000630 0.032832 -0.019320 -0.008537 0.000570 1Rh 4dyz -0.000402 -0.000166 0.010362 -0.007307 -0.000850 -0.027452 1Rh 4dx2y2 -0.001348 -0.001053 -0.047432 0.027741 0.010705 -0.001917 1Rh 4dxy -0.002086 -0.000395 -0.032870 0.022863 0.007650 -0.011113 1Rh 5dz2 0.002559 0.000157 0.018567 -0.015902 -0.005427 -0.008913 1Rh 5dxz -0.004128 0.000227 0.023666 -0.021442 -0.007974 0.000524 1Rh 5dyz -0.000310 -0.000142 0.007776 -0.006311 -0.001030 -0.023382 1Rh 5dx2y2 -0.000981 -0.000362 -0.034709 0.031910 0.010970 -0.001733 1Rh 5dxy -0.001293 -0.000263 -0.024600 0.019490 0.006426 -0.009036 1Rh 1f0 0.001565 0.000017 0.000180 -0.000981 -0.000575 -0.000339 1Rh 1f+1 0.001345 0.000012 -0.000549 0.000961 0.000535 0.000537 1Rh 1f-1 -0.002082 -0.000049 -0.000715 0.000422 0.000219 -0.000433 1Rh 1f+2 0.001185 -0.000011 -0.000597 0.001248 0.000669 -0.000317 1Rh 1f-2 -0.000514 0.000003 -0.001188 0.001166 0.000319 0.001195 1Rh 1f+3 -0.000746 -0.000030 -0.000167 0.001177 0.000900 -0.000106 1Rh 1f-3 0.000617 -0.000022 -0.001577 0.001951 0.000718 -0.000552 2C 1s -0.002613 0.000400 -0.000043 -0.000117 -0.000421 -0.000458 2C 2s -0.005588 0.000859 -0.000096 -0.000232 -0.000911 -0.000991 2C 3s 0.010193 -0.001627 0.000337 0.000741 0.001287 0.001230 2C 4s 0.004270 -0.001243 -0.000239 -0.002256 0.003583 0.004889 2C 5s 0.010439 -0.000982 -0.003274 0.003598 0.011819 0.012077 2C 1pz -0.002570 -0.049707 -0.006004 -0.001198 -0.049855 -0.053911 2C 1px 0.012465 -0.032274 0.016900 -0.016396 0.136529 0.153614 2C 1py -0.078582 0.092231 0.003739 -0.002642 0.023349 0.024613 2C 2pz -0.005811 -0.038933 -0.005431 -0.003534 -0.037634 -0.040381 2C 2px 0.009024 -0.025012 0.013082 -0.012440 0.107038 0.120909 2C 2py -0.064588 0.072909 0.002368 -0.003316 0.018953 0.020476 2C 3pz -0.000243 -0.018039 -0.000859 0.002321 -0.014678 -0.015398 2C 3px 0.002929 -0.011399 0.002626 -0.008757 0.048842 0.054622 2C 3py -0.025368 0.030510 0.001829 -0.002216 0.010381 0.011137 2C 1dz2 -0.000852 -0.000565 -0.000061 -0.000235 0.000495 0.000591 2C 1dxz -0.001885 0.002203 -0.000315 0.000396 -0.004292 -0.004894 2C 1dyz -0.002489 0.000609 0.000319 -0.000561 0.002828 0.003221 2C 1dx2y2 0.000665 0.000110 0.000592 -0.000349 0.004712 0.005240 2C 1dxy 0.001653 -0.003398 -0.000150 0.000007 -0.002249 -0.002459 2C 2dz2 0.000012 -0.003005 0.000014 -0.000560 0.001829 0.002085 2C 2dxz -0.000697 -0.000226 -0.000442 -0.000404 -0.003980 -0.004445 2C 2dyz -0.005280 0.002462 0.000099 -0.001108 0.002193 0.002775 2C 2dx2y2 0.002314 -0.001667 0.000251 0.000301 0.002203 0.002484 2C 2dxy 0.000683 -0.002296 -0.000372 -0.000398 -0.002566 -0.002768 2C 1f0 0.000530 -0.000763 -0.000026 -0.000033 0.000563 0.000646 2C 1f+1 0.000193 -0.000610 0.000085 -0.000083 -0.000032 -0.000032 2C 1f-1 -0.000456 -0.000058 -0.000101 -0.000131 -0.000141 -0.000127 2C 1f+2 0.000769 -0.000850 -0.000018 0.000051 -0.000413 -0.000487 2C 1f-2 -0.000007 0.000003 0.000044 -0.000054 -0.000392 -0.000451 2C 1f+3 -0.000470 0.000286 0.000010 -0.000047 -0.000034 -0.000040 2C 1f-3 -0.000357 0.000280 0.000037 -0.000031 0.000444 0.000514 3C 1s -0.000700 0.000616 0.000110 0.000269 -0.000341 0.000319 3C 2s -0.001490 0.001320 0.000224 0.000562 -0.000746 0.000692 3C 3s 0.003388 -0.001857 -0.000067 -0.001322 0.001023 -0.000976 3C 4s -0.003333 -0.004626 -0.001231 0.001932 0.002365 -0.001945 3C 5s -0.001024 -0.008119 0.003197 -0.013925 0.011658 -0.008956 3C 1pz 0.086721 0.094573 0.007732 0.009887 -0.051705 0.045943 3C 1px 0.013212 0.020418 -0.021337 -0.010017 0.149815 -0.138245 3C 1py 0.077027 0.054366 -0.006107 -0.007482 0.030048 -0.029557 3C 2pz 0.066725 0.073863 0.005962 0.008941 -0.040474 0.036552 3C 2px 0.009678 0.016255 -0.016763 -0.006006 0.117690 -0.108687 3C 2py 0.064362 0.043811 -0.004628 -0.008522 0.023319 -0.023464 3C 3pz 0.028264 0.030860 0.003578 0.002922 -0.016742 0.014954 3C 3px 0.002436 0.005518 -0.004385 -0.009659 0.055555 -0.051116 3C 3py 0.027945 0.021125 -0.002286 -0.000718 0.008771 -0.009050 3C 1dz2 0.003360 0.002799 -0.000070 -0.000075 0.000935 -0.000918 3C 1dxz -0.000988 -0.000697 0.000868 0.000624 -0.006849 0.006387 3C 1dyz 0.002415 0.001489 0.000351 -0.000012 -0.003791 0.003415 3C 1dx2y2 -0.001082 -0.002040 -0.000170 -0.000300 0.000037 0.000033 3C 1dxy -0.001149 -0.001831 0.000065 -0.000332 0.001146 -0.001066 3C 2dz2 0.005507 0.004117 -0.000132 -0.000431 0.001770 -0.001568 3C 2dxz 0.000212 0.000656 0.000596 0.000406 -0.005810 0.005530 3C 2dyz 0.001104 -0.000820 0.000350 -0.001452 -0.003618 0.003010 3C 2dx2y2 0.002577 0.000960 -0.000081 -0.000931 -0.000646 0.000517 3C 2dxy 0.000209 -0.000910 -0.000369 -0.000599 0.002643 -0.002454 3C 1f0 0.000035 -0.000198 0.000023 -0.000146 0.000136 -0.000134 3C 1f+1 0.000422 0.000358 -0.000063 -0.000012 0.000618 -0.000563 3C 1f-1 -0.001098 -0.000988 -0.000056 -0.000083 -0.000063 0.000029 3C 1f+2 0.000151 0.000067 -0.000059 -0.000056 -0.000131 0.000124 3C 1f-2 -0.000379 -0.000431 0.000136 -0.000059 -0.000152 0.000114 3C 1f+3 -0.000781 -0.000460 -0.000009 0.000120 -0.000527 0.000516 3C 1f-3 0.000839 0.000559 -0.000029 -0.000081 -0.000843 0.000793 4C 1s 0.002175 -0.000107 0.000358 -0.001294 -0.000278 -0.000088 4C 2s 0.004856 -0.000258 0.000793 -0.002802 -0.000605 -0.000196 4C 3s -0.011017 0.000987 -0.003060 0.005062 0.000329 -0.000132 4C 4s 0.005189 -0.001525 0.009441 0.005899 0.005154 0.002335 4C 5s -0.014825 0.005809 0.016626 0.002652 -0.010345 -0.011818 4C 1pz 0.080381 -0.058421 -0.002977 0.008468 0.014789 0.015307 4C 1px 0.032843 -0.035200 0.004404 0.001576 -0.034275 -0.038849 4C 1py -0.037739 0.090632 0.000308 0.007152 -0.004123 -0.005806 4C 2pz 0.059515 -0.048881 -0.000159 0.001742 0.010296 0.009338 4C 2px 0.026454 -0.029678 0.003467 0.003072 -0.015905 -0.014183 4C 2py -0.037294 0.078002 0.001718 0.003844 0.000045 -0.000036 4C 3pz 0.008505 -0.010838 0.002357 0.000679 0.008528 0.008388 4C 3px 0.005052 -0.004440 0.006838 0.013472 -0.005019 -0.003116 4C 3py -0.010458 0.013019 0.003907 0.008733 0.003424 0.003889 4C 1dz2 0.000258 -0.000456 0.000282 -0.000324 0.003364 0.003551 4C 1dxz -0.000275 -0.000053 -0.000690 0.000900 -0.006038 -0.006484 4C 1dyz -0.000399 0.000259 0.000003 -0.000046 0.000232 0.000310 4C 1dx2y2 0.001268 -0.000430 0.000173 0.000052 -0.000084 -0.000080 4C 1dxy 0.000453 -0.000200 -0.000630 0.000539 -0.004420 -0.004840 4C 2dz2 0.002123 0.000444 0.000614 -0.000493 0.003875 0.003052 4C 2dxz 0.000201 0.000674 -0.003182 0.004030 -0.008654 -0.008398 4C 2dyz 0.003277 -0.000512 0.000299 0.001381 0.000412 0.000268 4C 2dx2y2 0.000519 0.000456 0.001342 -0.001278 0.001552 0.001862 4C 2dxy 0.002110 -0.001131 0.000265 0.002282 -0.005549 -0.005424 4C 1f0 0.000300 -0.001075 -0.000035 -0.000116 -0.001115 -0.001285 4C 1f+1 -0.001165 0.000338 -0.000312 -0.000049 0.000888 0.001159 4C 1f-1 0.000422 -0.000293 -0.000171 -0.000090 -0.000366 -0.000441 4C 1f+2 0.001780 -0.001824 0.000150 -0.000051 0.000905 0.000979 4C 1f-2 0.001346 -0.001707 -0.000055 0.000131 0.001192 0.001455 4C 1f+3 -0.001195 0.001860 -0.000010 -0.000050 0.001227 0.001354 4C 1f-3 0.000111 -0.001171 -0.000252 -0.000195 0.000301 0.000279 5C 1s 0.001304 -0.000095 0.000470 0.001634 0.000284 -0.000006 5C 2s 0.002906 -0.000203 0.001037 0.003544 0.000597 0.000001 5C 3s -0.006439 0.000452 -0.004218 -0.005993 -0.000578 -0.000140 5C 4s 0.002740 0.000052 0.013781 -0.010102 -0.003832 0.000347 5C 5s 0.002241 0.008072 0.019590 0.003257 -0.010778 0.008171 5C 1pz 0.123315 0.090561 -0.000080 -0.005952 0.012836 -0.012715 5C 1px 0.029306 0.016702 -0.007423 -0.004542 -0.038262 0.034914 5C 1py 0.056656 0.067944 0.001974 0.012873 -0.007075 0.007895 5C 2pz 0.101814 0.077774 0.002183 -0.003609 0.005566 -0.004610 5C 2px 0.022058 0.013321 -0.004584 0.003578 -0.017095 0.011808 5C 2py 0.052950 0.058063 -0.002143 0.007050 -0.003212 0.003016 5C 3pz 0.016512 0.010649 0.006428 -0.010804 0.004883 -0.003880 5C 3px 0.003609 0.000475 -0.002878 0.011347 -0.005903 0.003711 5C 3py 0.016187 0.015214 -0.009806 0.016263 -0.005452 0.005103 5C 1dz2 0.001030 0.000633 -0.000280 -0.000351 0.002288 -0.002030 5C 1dxz 0.000239 0.000265 0.000303 0.000383 -0.003520 0.003182 5C 1dyz -0.000548 -0.000178 0.000421 0.000404 -0.002991 0.002642 5C 1dx2y2 0.001068 0.000124 0.000621 0.000480 -0.003626 0.003224 5C 1dxy 0.000181 -0.000047 -0.000873 -0.000710 0.006252 -0.005503 5C 2dz2 0.000857 0.000515 -0.002604 -0.001174 0.003489 -0.002379 5C 2dxz 0.000140 -0.000452 0.000015 0.000875 -0.005362 0.004504 5C 2dyz -0.002134 0.000833 0.000073 0.003229 -0.004223 0.003389 5C 2dx2y2 -0.001353 -0.001885 0.003645 0.003852 -0.004123 0.003615 5C 2dxy -0.001716 -0.000969 -0.000691 -0.002188 0.007832 -0.005691 5C 1f0 -0.001234 -0.000708 -0.000183 0.000176 -0.000580 0.000490 5C 1f+1 -0.001808 -0.001063 -0.000117 -0.000037 0.000402 -0.000327 5C 1f-1 -0.002909 -0.002536 0.000042 0.000038 0.000660 -0.000648 5C 1f+2 0.002084 0.001749 0.000179 -0.000023 0.001589 -0.001495 5C 1f-2 -0.000798 -0.000965 0.000305 -0.000392 -0.000479 0.000520 5C 1f+3 -0.000627 -0.000281 -0.000195 0.000076 0.001526 -0.001409 5C 1f-3 -0.000479 -0.000701 0.000387 -0.000069 0.001229 -0.001302 6C 1s -0.001310 -0.000106 0.000430 -0.001657 -0.000288 0.000006 6C 2s -0.002921 -0.000228 0.000950 -0.003596 -0.000606 -0.000001 6C 3s 0.006514 0.000496 -0.004026 0.006284 0.000605 0.000122 6C 4s -0.002907 0.000050 0.013759 0.008910 0.003846 -0.000271 6C 5s -0.002372 0.007988 0.019390 -0.004589 0.010573 -0.007780 6C 1pz 0.123841 -0.090378 -0.000007 -0.005932 0.012478 -0.012243 6C 1px 0.029363 -0.016671 0.007337 -0.004929 -0.037246 0.033569 6C 1py 0.057353 -0.068061 -0.001616 0.012968 -0.006901 0.007686 6C 2pz 0.102340 -0.077673 -0.002129 -0.003350 0.005408 -0.004420 6C 2px 0.022154 -0.013318 0.004547 0.003268 -0.016563 0.011195 6C 2py 0.053398 -0.058071 0.002280 0.006771 -0.003156 0.002984 6C 3pz 0.016634 -0.010701 -0.006591 -0.010165 0.004891 -0.003752 6C 3px 0.003643 -0.000486 0.003306 0.011223 -0.005840 0.003739 6C 3py 0.016279 -0.015090 0.010221 0.015317 -0.005476 0.004869 6C 1dz2 -0.001037 0.000634 -0.000262 0.000379 -0.002220 0.001967 6C 1dxz -0.000239 0.000266 0.000290 -0.000414 0.003432 -0.003089 6C 1dyz 0.000552 -0.000180 0.000406 -0.000434 0.002918 -0.002554 6C 1dx2y2 -0.001075 0.000118 0.000603 -0.000526 0.003537 -0.003107 6C 1dxy -0.000179 -0.000052 -0.000847 0.000775 -0.006114 0.005308 6C 2dz2 -0.000864 0.000527 -0.002549 0.001350 -0.003351 0.002270 6C 2dxz -0.000093 -0.000496 0.000006 -0.000803 0.005238 -0.004379 6C 2dyz 0.002132 0.000855 0.000003 -0.003231 0.004108 -0.003273 6C 2dx2y2 0.001306 -0.001844 0.003509 -0.004141 0.003983 -0.003459 6C 2dxy 0.001703 -0.000947 -0.000640 0.002222 -0.007683 0.005487 6C 1f0 -0.001238 0.000706 0.000182 0.000158 -0.000564 0.000468 6C 1f+1 -0.001818 0.001061 0.000115 -0.000048 0.000393 -0.000312 6C 1f-1 -0.002926 0.002533 -0.000043 0.000038 0.000646 -0.000629 6C 1f+2 0.002100 -0.001750 -0.000174 -0.000014 0.001556 -0.001451 6C 1f-2 -0.000807 0.000969 -0.000310 -0.000366 -0.000475 0.000508 6C 1f+3 -0.000633 0.000281 0.000196 0.000061 0.001493 -0.001374 6C 1f-3 -0.000484 0.000704 -0.000379 -0.000039 0.001207 -0.001270 7C 1s -0.002162 -0.000107 0.000450 0.001264 0.000274 0.000086 7C 2s -0.004826 -0.000257 0.000991 0.002735 0.000595 0.000193 7C 3s 0.010948 0.000983 -0.003386 -0.004953 -0.000337 0.000108 7C 4s -0.005230 -0.001576 0.008851 -0.005745 -0.005045 -0.002235 7C 5s 0.014746 0.005550 0.016477 -0.003079 0.010353 0.011554 7C 1pz 0.080661 0.059026 0.003638 0.008324 0.014332 0.014353 7C 1px 0.032880 0.035476 -0.004249 0.001602 -0.033084 -0.036481 7C 1py -0.037404 -0.091522 0.000174 0.007143 -0.003823 -0.005334 7C 2pz 0.059671 0.049367 0.000327 0.001641 0.009918 0.008608 7C 2px 0.026463 0.029917 -0.003033 0.003025 -0.015323 -0.013018 7C 2py -0.037087 -0.078760 -0.001420 0.003809 0.000144 0.000104 7C 3pz 0.008636 0.010858 -0.001999 0.000249 0.008231 0.008027 7C 3px 0.005118 0.004480 -0.005902 0.013445 -0.005088 -0.003147 7C 3py -0.010416 -0.013263 -0.003299 0.008468 0.003338 0.003732 7C 1dz2 -0.000265 -0.000467 0.000295 0.000321 -0.003238 -0.003339 7C 1dxz 0.000269 -0.000057 -0.000727 -0.000884 0.005850 0.006128 7C 1dyz 0.000395 0.000263 0.000003 0.000047 -0.000236 -0.000299 7C 1dx2y2 -0.001260 -0.000424 0.000174 -0.000060 0.000069 0.000071 7C 1dxy -0.000450 -0.000196 -0.000653 -0.000517 0.004292 0.004569 7C 2dz2 -0.002171 0.000400 0.000629 0.000449 -0.003748 -0.002846 7C 2dxz -0.000224 0.000653 -0.003413 -0.003969 0.008387 0.007898 7C 2dyz -0.003293 -0.000504 0.000202 -0.001377 -0.000426 -0.000264 7C 2dx2y2 -0.000474 0.000507 0.001399 0.001319 -0.001478 -0.001750 7C 2dxy -0.002109 -0.001144 0.000116 -0.002274 0.005356 0.005042 7C 1f0 0.000295 0.001081 0.000028 -0.000113 -0.001085 -0.001225 7C 1f+1 -0.001172 -0.000346 0.000303 -0.000049 0.000873 0.001114 7C 1f-1 0.000435 0.000314 0.000163 -0.000096 -0.000361 -0.000433 7C 1f+2 0.001782 0.001844 -0.000152 -0.000051 0.000878 0.000925 7C 1f-2 0.001347 0.001729 0.000067 0.000129 0.001159 0.001396 7C 1f+3 -0.001194 -0.001878 0.000004 -0.000047 0.001192 0.001288 7C 1f-3 0.000104 0.001178 0.000232 -0.000192 0.000290 0.000256 8C 1s 0.000693 0.000617 0.000103 -0.000276 0.000339 -0.000315 8C 2s 0.001476 0.001323 0.000210 -0.000578 0.000740 -0.000683 8C 3s -0.003357 -0.001879 -0.000039 0.001337 -0.001016 0.000959 8C 4s 0.003281 -0.004492 -0.001265 -0.001915 -0.002395 0.001984 8C 5s 0.001238 -0.008155 0.003508 0.013375 -0.011430 0.008279 8C 1pz 0.087353 -0.094544 -0.007310 0.010509 -0.050492 0.044678 8C 1px 0.013409 -0.020514 0.020910 -0.011669 0.146621 -0.134056 8C 1py 0.077230 -0.054199 0.005971 -0.007875 0.029585 -0.028735 8C 2pz 0.067264 -0.073899 -0.005601 0.009456 -0.039464 0.035503 8C 2px 0.009864 -0.016362 0.016482 -0.007288 0.115184 -0.105403 8C 2py 0.064491 -0.043615 0.004463 -0.008870 0.022902 -0.022789 8C 3pz 0.028433 -0.030843 -0.003470 0.003215 -0.016418 0.014673 8C 3px 0.002398 -0.005508 0.004049 -0.010048 0.054390 -0.049494 8C 3py 0.027971 -0.020990 0.002249 -0.000928 0.008618 -0.008807 8C 1dz2 -0.003374 0.002792 -0.000058 0.000071 -0.000822 0.000802 8C 1dxz 0.001066 -0.000769 0.000843 -0.000688 0.006674 -0.006170 8C 1dyz -0.002382 0.001447 0.000351 -0.000024 0.003758 -0.003362 8C 1dx2y2 0.001065 -0.002012 -0.000169 0.000317 -0.000093 0.000028 8C 1dxy 0.001197 -0.001867 0.000068 0.000336 -0.001176 0.001087 8C 2dz2 -0.005531 0.004105 -0.000113 0.000441 -0.001650 0.001444 8C 2dxz -0.000170 0.000622 0.000586 -0.000463 0.005644 -0.005327 8C 2dyz -0.001050 -0.000865 0.000387 0.001428 0.003577 -0.002950 8C 2dx2y2 -0.002579 0.000945 -0.000055 0.000949 0.000621 -0.000482 8C 2dxy -0.000166 -0.000951 -0.000362 0.000632 -0.002600 0.002399 8C 1f0 0.000031 0.000202 -0.000025 -0.000146 0.000142 -0.000139 8C 1f+1 0.000428 -0.000363 0.000063 -0.000014 0.000601 -0.000542 8C 1f-1 -0.001106 0.000987 0.000052 -0.000086 -0.000066 0.000032 8C 1f+2 0.000157 -0.000071 0.000060 -0.000060 -0.000123 0.000117 8C 1f-2 -0.000387 0.000434 -0.000137 -0.000050 -0.000144 0.000106 8C 1f+3 -0.000785 0.000458 0.000013 0.000121 -0.000503 0.000488 8C 1f-3 0.000833 -0.000551 0.000027 -0.000081 -0.000830 0.000775 9C 1s 0.002607 0.000372 -0.000031 0.000117 0.000414 0.000442 9C 2s 0.005575 0.000799 -0.000071 0.000232 0.000895 0.000954 9C 3s -0.010171 -0.001533 0.000266 -0.000755 -0.001252 -0.001173 9C 4s -0.004191 -0.001024 -0.000083 0.002326 -0.003501 -0.004679 9C 5s -0.010586 -0.000947 -0.003827 -0.002907 -0.011659 -0.011803 9C 1pz -0.002379 0.050743 0.005772 -0.001336 -0.048372 -0.051191 9C 1px 0.012556 0.032696 -0.017437 -0.016031 0.132693 0.146193 9C 1py -0.078560 -0.092702 -0.003974 -0.002556 0.022389 0.023223 9C 2pz -0.005711 0.039689 0.005088 -0.003686 -0.036553 -0.038380 9C 2px 0.009095 0.025360 -0.013480 -0.012151 0.103983 0.115025 9C 2py -0.064646 -0.073364 -0.002628 -0.003280 0.018095 0.019233 9C 3pz -0.000144 0.018322 0.000972 0.002186 -0.014251 -0.014642 9C 3px 0.002916 0.011470 -0.002990 -0.008719 0.047582 0.052106 9C 3py -0.025307 -0.030631 -0.001857 -0.002214 0.009971 0.010585 9C 1dz2 0.000822 -0.000617 -0.000042 0.000239 -0.000495 -0.000580 9C 1dxz 0.001866 0.002196 -0.000338 -0.000399 0.004288 0.004780 9C 1dyz 0.002545 0.000680 0.000348 0.000551 -0.002727 -0.003044 9C 1dx2y2 -0.000592 0.000257 0.000597 0.000327 -0.004557 -0.004960 9C 1dxy -0.001645 -0.003420 -0.000125 0.000015 0.001987 0.002122 9C 2dz2 -0.000028 -0.003044 0.000050 0.000554 -0.001737 -0.001934 9C 2dxz 0.000663 -0.000245 -0.000424 0.000413 0.003962 0.004325 9C 2dyz 0.005337 0.002522 0.000168 0.001102 -0.002094 -0.002601 9C 2dx2y2 -0.002276 -0.001613 0.000231 -0.000316 -0.002157 -0.002378 9C 2dxy -0.000652 -0.002284 -0.000330 0.000408 0.002375 0.002498 9C 1f0 0.000533 0.000767 0.000026 -0.000032 0.000537 0.000603 9C 1f+1 0.000190 0.000609 -0.000092 -0.000082 -0.000014 -0.000011 9C 1f-1 -0.000450 0.000075 0.000090 -0.000133 -0.000132 -0.000115 9C 1f+2 0.000769 0.000861 0.000022 0.000052 -0.000399 -0.000460 9C 1f-2 -0.000002 0.000007 -0.000048 -0.000055 -0.000387 -0.000435 9C 1f+3 -0.000471 -0.000293 -0.000011 -0.000045 -0.000061 -0.000067 9C 1f-3 -0.000377 -0.000294 -0.000040 -0.000032 0.000440 0.000498 10H 1s 0.015320 -0.009246 0.009007 -0.006902 0.076442 0.085611 10H 2s 0.021052 -0.013752 0.012327 -0.011022 0.108837 0.121687 10H 3s 0.004763 -0.003738 0.007482 -0.001026 0.038863 0.044520 10H 1pz 0.001333 -0.002781 0.000584 -0.000782 0.004424 0.004967 10H 1px -0.001745 0.000264 -0.000500 0.000406 -0.004882 -0.005417 10H 1py -0.002344 0.002929 0.000424 -0.000374 0.002828 0.003079 11H 1s -0.019689 0.048303 -0.002883 0.005507 -0.025860 -0.030262 11H 2s -0.027170 0.067407 -0.004236 0.008419 -0.037150 -0.043564 11H 3s -0.009641 0.016380 -0.001251 0.002191 -0.013864 -0.015701 11H 1pz -0.002462 0.003670 -0.000533 0.000589 -0.004184 -0.004734 11H 1px -0.001854 0.004239 0.000291 0.000030 0.002227 0.002379 11H 1py -0.001443 -0.000075 0.000308 -0.000469 0.002630 0.002990 12H 1s 0.034949 -0.041421 -0.006208 0.004836 -0.049219 -0.054351 12H 2s 0.047667 -0.057593 -0.008826 0.007455 -0.070557 -0.077633 12H 3s 0.010598 -0.015693 -0.001784 0.000403 -0.025467 -0.028438 12H 1pz -0.001093 -0.000679 -0.000018 -0.000174 -0.000086 -0.000029 12H 1px 0.002927 -0.004114 0.000160 -0.000187 0.001522 0.001800 12H 1py 0.002539 -0.003134 -0.000753 0.000713 -0.005812 -0.006412 13H 1s -0.010424 -0.015784 -0.011601 -0.008647 0.081554 -0.074997 13H 2s -0.014905 -0.022533 -0.015937 -0.012504 0.114490 -0.105084 13H 3s -0.003548 -0.004874 -0.005528 -0.000564 0.041068 -0.038352 13H 1pz 0.001790 0.001470 -0.000901 -0.000639 0.006086 -0.005600 13H 1px 0.001538 0.002429 0.000419 0.000600 -0.002879 0.002631 13H 1py 0.003566 0.003006 0.000451 0.000286 -0.003136 0.002762 14H 1s -0.033398 -0.038200 0.008269 0.002577 -0.060054 0.056118 14H 2s -0.045638 -0.052975 0.011439 0.004616 -0.085238 0.079673 14H 3s -0.013716 -0.014165 0.005540 -0.000021 -0.031237 0.029077 14H 1pz 0.000088 -0.000014 0.000952 0.000630 -0.006307 0.005805 14H 1px -0.004377 -0.004769 0.000383 0.000129 -0.002615 0.002508 14H 1py 0.002383 0.001381 -0.000074 -0.000241 -0.000373 0.000313 15H 1s 0.057569 0.050263 0.002319 0.001279 -0.021477 0.018445 15H 2s 0.078932 0.070439 0.002857 0.002724 -0.030817 0.026427 15H 3s 0.018342 0.017244 0.000686 0.000154 -0.012081 0.010253 15H 1pz -0.002722 -0.001776 0.000034 0.000124 0.000244 -0.000180 15H 1px 0.002543 0.002554 -0.000700 -0.000303 0.004729 -0.004403 15H 1py -0.005082 -0.004939 -0.000477 -0.000534 0.003638 -0.003236 16H 1s 0.001829 -0.000140 0.060368 0.059097 0.006250 -0.000262 16H 2s 0.000515 -0.000431 0.071956 0.070751 0.008830 0.001398 16H 3s -0.000059 0.000177 0.027615 0.027994 0.001506 0.001770 16H 1pz -0.000092 -0.000080 0.006335 0.006352 0.000698 0.000061 16H 1px 0.000093 -0.000037 0.008553 0.008238 0.000217 -0.000216 16H 1py 0.000133 -0.000007 -0.003885 -0.004099 -0.000977 -0.000190 17H 1s -0.002794 -0.000079 0.059985 0.058842 0.006268 0.000770 17H 2s -0.002336 -0.000144 0.070748 0.069818 0.008682 -0.000010 17H 3s -0.000246 0.000166 0.026063 0.026416 0.001363 -0.001224 17H 1pz 0.000185 0.000020 -0.010689 -0.010533 -0.000812 -0.000104 17H 1px 0.000007 -0.000036 0.002521 0.002238 -0.000330 0.000122 17H 1py -0.000010 0.000008 -0.002462 -0.002663 -0.000865 0.000127 18H 1s 0.002761 -0.000101 0.057254 -0.061541 -0.006235 -0.000986 18H 2s 0.002268 -0.000174 0.067722 -0.073200 -0.008657 -0.000291 18H 3s 0.000208 0.000151 0.024768 -0.027574 -0.001445 0.001117 18H 1pz 0.000178 -0.000022 0.010171 -0.010977 -0.000803 -0.000163 18H 1px 0.000003 0.000036 -0.002451 0.002393 -0.000322 0.000171 18H 1py -0.000018 -0.000012 0.002516 -0.002977 -0.000897 0.000149 19H 1s -0.001903 -0.000160 0.057560 -0.061810 -0.006408 -0.000091 19H 2s -0.000618 -0.000441 0.068651 -0.074071 -0.009036 -0.001858 19H 3s 0.000014 0.000161 0.026350 -0.029241 -0.001449 -0.001787 19H 1pz -0.000087 0.000078 -0.006162 0.006780 0.000736 0.000090 19H 1px 0.000095 0.000038 -0.008156 0.008616 0.000236 -0.000129 19H 1py 0.000125 0.000002 0.003509 -0.004069 -0.000951 -0.000153 20H 1s -0.057725 0.050075 0.002275 -0.001556 0.021515 -0.018458 20H 2s -0.079147 0.070171 0.002760 -0.003099 0.030830 -0.026420 20H 3s -0.018475 0.017265 0.000694 -0.000204 0.012034 -0.010103 20H 1pz -0.002721 0.001762 -0.000026 0.000117 0.000294 -0.000231 20H 1px 0.002625 -0.002612 0.000684 -0.000350 0.004589 -0.004230 20H 1py -0.005075 0.004901 0.000462 -0.000581 0.003611 -0.003196 21H 1s 0.033969 -0.038510 0.008118 -0.003162 0.058399 -0.054014 21H 2s 0.046407 -0.053402 0.011190 -0.005424 0.082893 -0.076682 21H 3s 0.013958 -0.014291 0.005528 -0.000306 0.030359 -0.028004 21H 1pz 0.000032 0.000074 -0.000929 0.000702 -0.006186 0.005645 21H 1px -0.004431 0.004786 -0.000368 0.000148 -0.002479 0.002351 21H 1py 0.002370 -0.001357 0.000068 -0.000240 -0.000370 0.000308 22H 1s 0.010151 -0.015401 -0.011292 0.009552 -0.079947 0.072919 22H 2s 0.014503 -0.021963 -0.015478 0.013736 -0.112309 0.102236 22H 3s 0.003367 -0.004694 -0.005507 0.001022 -0.040197 0.037330 22H 1pz 0.001855 -0.001529 0.000873 -0.000699 0.005928 -0.005403 22H 1px 0.001521 -0.002397 -0.000405 0.000637 -0.002873 0.002608 22H 1py 0.003558 -0.002982 -0.000443 0.000327 -0.003119 0.002731 23H 1s -0.035199 -0.042179 -0.006324 -0.004595 0.046919 0.050761 23H 2s -0.047999 -0.058636 -0.009040 -0.007117 0.067335 0.072591 23H 3s -0.010669 -0.015945 -0.001746 -0.000406 0.024273 0.026512 23H 1pz -0.001116 0.000666 0.000003 -0.000175 -0.000077 -0.000017 23H 1px 0.002868 0.004090 -0.000179 -0.000201 0.001624 0.001865 23H 1py 0.002606 0.003270 0.000777 0.000689 -0.005593 -0.006043 24H 1s 0.019488 0.048549 -0.003219 -0.005543 0.026190 0.029924 24H 2s 0.026952 0.067777 -0.004727 -0.008481 0.037608 0.043063 24H 3s 0.009591 0.016586 -0.001349 -0.002226 0.014016 0.015568 24H 1pz -0.002425 -0.003634 0.000562 0.000586 -0.004151 -0.004593 24H 1px -0.001867 -0.004331 -0.000269 0.000059 0.002018 0.002106 24H 1py -0.001489 -0.000003 -0.000335 -0.000463 0.002589 0.002882 25H 1s -0.014930 -0.008573 0.009185 0.006700 -0.074445 -0.081601 25H 2s -0.020507 -0.012787 0.012639 0.010747 -0.105949 -0.115943 25H 3s -0.004630 -0.003515 0.007479 0.000776 -0.037716 -0.042257 25H 1pz 0.001308 0.002752 -0.000621 -0.000774 0.004361 0.004791 25H 1px -0.001685 -0.000152 0.000505 0.000393 -0.004744 -0.005152 25H 1py -0.002380 -0.002983 -0.000430 -0.000354 0.002637 0.002812 26O 1s 0.000304 -0.000040 0.000409 0.001117 0.000204 -0.000171 26O 2s 0.000687 -0.000084 0.000947 0.002661 0.000568 -0.000345 26O 3s -0.000068 -0.000065 -0.000920 -0.003749 -0.001753 -0.000134 26O 4s -0.006018 0.001185 -0.004045 -0.007240 -0.000392 0.000722 26O 5s 0.003215 -0.001049 -0.007344 -0.011280 0.001686 0.001881 26O 1pz 0.047883 -0.041210 -0.005941 0.012827 -0.002979 -0.000059 26O 1px -0.005826 -0.023664 0.001194 -0.015721 0.048837 0.054983 26O 1py -0.049988 0.067980 -0.004124 0.001239 0.014912 0.017654 26O 2pz 0.040912 -0.034945 -0.005645 0.009771 -0.002216 0.000229 26O 2px -0.002574 -0.020359 0.001072 -0.012459 0.040527 0.045904 26O 2py -0.041016 0.057180 -0.003424 0.001055 0.012754 0.015090 26O 3pz 0.023551 -0.017712 -0.000297 0.008669 -0.007420 -0.006557 26O 3px -0.000071 -0.010238 0.010057 -0.003493 0.020854 0.026771 26O 3py -0.021337 0.032825 -0.000328 0.001420 0.001948 0.004056 26O 1dz2 -0.000412 0.000127 0.000044 -0.000098 0.000691 0.000806 26O 1dxz -0.001369 0.001128 0.000174 -0.000170 -0.000029 -0.000065 26O 1dyz -0.000529 0.000294 0.000184 -0.000027 0.000158 0.000231 26O 1dx2y2 -0.000312 0.001346 -0.000071 0.000270 -0.000786 -0.000870 26O 1dxy 0.001143 -0.001459 0.000078 0.000061 -0.000604 -0.000655 26O 2dz2 0.000423 -0.000158 0.000117 -0.000237 0.001745 0.002434 26O 2dxz -0.004128 0.003166 0.000445 -0.000864 0.000700 0.000672 26O 2dyz -0.001018 0.001316 -0.000135 -0.000385 0.001108 0.001533 26O 2dx2y2 -0.001255 0.003659 -0.000427 0.000764 -0.002051 -0.002608 26O 2dxy 0.003161 -0.004562 -0.000004 -0.000176 -0.001003 -0.001331 26O 1f0 -0.000396 0.000290 0.000039 -0.000048 -0.000078 -0.000074 26O 1f+1 0.000320 -0.000156 0.000037 0.000142 -0.000330 -0.000372 26O 1f-1 0.000472 -0.000441 0.000060 0.000099 -0.000228 -0.000167 26O 1f+2 0.000637 -0.000678 -0.000061 0.000005 0.000152 0.000133 26O 1f-2 0.000469 -0.000314 0.000003 0.000085 0.000012 0.000057 26O 1f+3 -0.000566 0.001175 -0.000077 0.000090 -0.000149 -0.000173 26O 1f-3 0.000404 -0.000425 0.000031 0.000101 -0.000373 -0.000456 27O 1s -0.000160 -0.000196 -0.002077 -0.002142 -0.000395 0.000256 27O 2s -0.000388 -0.000448 -0.005024 -0.005191 -0.000855 0.000547 27O 3s 0.000785 0.000329 0.008302 0.008690 0.000215 -0.000083 27O 4s 0.000448 0.002861 0.010450 0.009694 0.003491 -0.001998 27O 5s 0.002220 0.001039 -0.004630 0.001039 0.009669 -0.003985 27O 1pz 0.093921 0.067280 0.004809 0.000575 -0.010711 0.008286 27O 1px 0.007590 0.016808 0.004437 0.008235 0.058887 -0.051484 27O 1py 0.051851 0.046576 -0.008761 -0.001108 -0.003200 0.007265 27O 2pz 0.079021 0.056642 0.003927 0.000141 -0.008675 0.006643 27O 2px 0.006777 0.013311 0.004517 0.007356 0.048142 -0.042588 27O 2py 0.043813 0.039795 -0.007321 -0.000408 -0.002488 0.005849 27O 3pz 0.045404 0.032132 -0.000896 0.001267 -0.007677 0.007929 27O 3px 0.006307 0.007579 0.008066 0.006257 0.022348 -0.023978 27O 3py 0.022033 0.020998 -0.004602 -0.004786 0.004031 -0.001124 27O 1dz2 0.000237 0.000249 0.000147 0.000141 0.000642 -0.000529 27O 1dxz -0.002474 -0.001770 -0.000052 0.000106 0.000297 -0.000236 27O 1dyz 0.000501 0.000402 -0.000069 -0.000042 -0.000210 0.000268 27O 1dx2y2 -0.000431 -0.000712 -0.000156 -0.000272 -0.001276 0.001094 27O 1dxy -0.001181 -0.001190 0.000149 -0.000078 0.000240 -0.000244 27O 2dz2 0.001939 0.001296 0.000765 0.000916 0.001130 -0.001026 27O 2dxz -0.007108 -0.005215 0.000442 0.000217 0.001373 -0.001202 27O 2dyz 0.000626 0.001092 -0.000185 -0.000302 -0.001126 0.001187 27O 2dx2y2 -0.001068 -0.001530 -0.001715 -0.002015 -0.003015 0.003127 27O 2dxy -0.004040 -0.004057 0.000290 0.000341 -0.000772 0.000565 27O 1f0 -0.001094 -0.000769 -0.000063 0.000011 0.000146 -0.000082 27O 1f+1 -0.000086 -0.000120 -0.000016 -0.000053 -0.000351 0.000346 27O 1f-1 -0.000450 -0.000378 -0.000004 -0.000047 0.000061 -0.000065 27O 1f+2 0.001128 0.000842 -0.000146 -0.000154 -0.000024 0.000066 27O 1f-2 -0.000772 -0.000582 -0.000138 -0.000029 0.000175 -0.000112 27O 1f+3 -0.000594 -0.000666 0.000123 -0.000091 -0.000444 0.000369 27O 1f-3 -0.000669 -0.000664 -0.000002 -0.000086 0.000240 -0.000238 28O 1s 0.000269 -0.000081 -0.001605 0.001748 0.000615 0.000644 28O 2s 0.000601 -0.000184 -0.003896 0.004248 0.001373 0.001445 28O 3s 0.000049 0.000114 0.006604 -0.007252 -0.000721 -0.000926 28O 4s -0.005658 0.001044 0.007323 -0.007328 -0.006711 -0.006659 28O 5s 0.004304 0.000223 -0.001035 -0.001406 -0.011444 -0.007468 28O 1pz 0.031840 -0.040817 0.006280 -0.004405 -0.030826 -0.037467 28O 1px 0.047195 -0.027500 0.001147 0.002504 0.050056 0.051081 28O 1py -0.041092 0.068807 0.005402 -0.001310 0.000310 -0.000703 28O 2pz 0.028332 -0.034363 0.005585 -0.003801 -0.023896 -0.029645 28O 2px 0.038118 -0.022873 0.000384 0.002623 0.040133 0.041235 28O 2py -0.034004 0.057428 0.004265 -0.000649 0.000469 -0.000325 28O 3pz 0.017525 -0.019000 0.003302 -0.003524 -0.010056 -0.015049 28O 3px 0.020653 -0.013037 -0.004657 0.001888 0.020162 0.024766 28O 3py -0.018210 0.033372 0.003785 -0.003382 0.001965 0.002124 28O 1dz2 -0.001382 0.001247 -0.000036 -0.000078 -0.000134 -0.000130 28O 1dxz -0.000008 -0.000383 0.000182 -0.000171 -0.001167 -0.001257 28O 1dyz 0.000498 -0.001111 -0.000022 -0.000062 -0.000098 -0.000165 28O 1dx2y2 0.000992 -0.000434 -0.000010 0.000147 0.000854 0.000841 28O 1dxy -0.000834 0.001534 0.000091 0.000021 -0.000112 -0.000172 28O 2dz2 -0.003301 0.003318 0.000111 0.000133 -0.001217 -0.001410 28O 2dxz 0.001462 -0.001706 0.001078 -0.001479 -0.001821 -0.002458 28O 2dyz 0.001984 -0.002914 0.000138 -0.000241 -0.001282 -0.001552 28O 2dx2y2 0.002942 -0.001776 -0.000982 0.000962 0.002150 0.002487 28O 2dxy -0.001963 0.004546 0.000083 -0.000168 0.000305 0.000117 28O 1f0 0.000740 -0.000720 0.000025 0.000047 0.000190 0.000183 28O 1f+1 -0.000772 0.000811 0.000042 -0.000076 0.000194 0.000242 28O 1f-1 0.000082 0.000169 0.000193 -0.000068 0.000088 -0.000006 28O 1f+2 -0.000103 -0.000223 -0.000104 -0.000013 -0.000441 -0.000470 28O 1f-2 0.000599 -0.000974 -0.000016 -0.000080 0.000054 0.000040 28O 1f+3 -0.000285 0.000083 0.000011 -0.000082 -0.000180 -0.000222 28O 1f-3 0.000411 -0.000744 0.000023 -0.000028 0.000089 0.000101 29O 1s -0.000233 -0.000008 0.020529 0.020604 0.003096 0.000141 29O 2s -0.000565 -0.000020 0.049378 0.049599 0.007496 0.000345 29O 3s 0.000913 0.000030 -0.077174 -0.077942 -0.012278 -0.000624 29O 4s 0.001022 -0.000061 -0.108969 -0.107948 -0.015155 -0.000342 29O 5s 0.002091 0.000597 -0.110443 -0.115786 -0.020071 -0.002202 29O 1pz -0.005432 0.000308 -0.090509 -0.086865 -0.006195 0.001969 29O 1px -0.002985 -0.000483 0.197128 0.187048 0.009701 0.000918 29O 1py 0.002864 0.000209 -0.188214 -0.190873 -0.029065 -0.001468 29O 2pz -0.004439 0.000184 -0.076097 -0.072883 -0.004981 0.001661 29O 2px -0.002406 -0.000413 0.167863 0.158832 0.007750 0.000709 29O 2py 0.002321 0.000182 -0.153762 -0.156320 -0.023601 -0.001205 29O 3pz -0.004527 0.000153 -0.045959 -0.044749 -0.003227 0.002885 29O 3px -0.002252 -0.000432 0.099850 0.096516 0.005444 0.001269 29O 3py 0.001572 -0.000210 -0.104284 -0.104749 -0.017409 -0.000595 29O 1dz2 0.000095 -0.000004 0.000103 0.000077 -0.000022 -0.000007 29O 1dxz -0.000109 0.000002 0.000165 0.000175 0.000049 0.000021 29O 1dyz 0.000085 -0.000006 0.001298 0.001273 0.000130 0.000006 29O 1dx2y2 -0.000022 0.000003 -0.000915 -0.000967 -0.000208 -0.000004 29O 1dxy 0.000064 0.000002 -0.003278 -0.003205 -0.000289 -0.000009 29O 2dz2 0.000455 0.000023 -0.001993 -0.002329 -0.000494 -0.000109 29O 2dxz -0.000344 0.000001 -0.000436 -0.000703 -0.000042 0.000108 29O 2dyz 0.000650 0.000009 0.005522 0.005362 0.000483 -0.000022 29O 2dx2y2 0.000017 -0.000015 -0.006278 -0.006006 -0.001100 0.000030 29O 2dxy 0.000293 0.000046 -0.012445 -0.011907 -0.000913 -0.000050 29O 1f0 -0.000043 0.000003 -0.001240 -0.001198 -0.000054 0.000028 29O 1f+1 -0.000053 -0.000002 0.000494 0.000464 -0.000019 0.000020 29O 1f-1 -0.000037 -0.000002 -0.001243 -0.001234 -0.000160 0.000022 29O 1f+2 0.000015 -0.000001 0.000580 0.000596 0.000030 -0.000008 29O 1f-2 0.000076 0.000003 -0.000454 -0.000451 -0.000080 -0.000049 29O 1f+3 -0.000030 -0.000003 0.001088 0.001150 0.000151 0.000023 29O 1f-3 -0.000040 -0.000004 0.001330 0.001295 0.000078 0.000024 30O 1s -0.000141 -0.000180 0.000483 -0.001520 0.000100 -0.000488 30O 2s -0.000363 -0.000432 0.001123 -0.003611 0.000135 -0.001095 30O 3s 0.001073 0.000617 -0.001120 0.004950 0.001077 0.000798 30O 4s -0.001200 0.001434 -0.004428 0.010310 -0.003228 0.004219 30O 5s 0.003657 0.002006 -0.013052 0.017694 -0.003788 0.003603 30O 1pz 0.087833 0.070783 -0.002892 0.001875 -0.024717 0.023904 30O 1px 0.030861 0.010619 -0.007026 -0.022804 0.047746 -0.042912 30O 1py 0.057248 0.046443 0.006938 0.003779 0.026902 -0.027044 30O 2pz 0.073912 0.058771 -0.002659 0.001558 -0.020219 0.019538 30O 2px 0.025198 0.009077 -0.006493 -0.017498 0.039064 -0.035346 30O 2py 0.047452 0.039316 0.005829 0.003451 0.021425 -0.021809 30O 3pz 0.044080 0.034913 0.006863 -0.004204 -0.008509 0.010494 30O 3px 0.014247 0.005593 -0.012103 -0.006366 0.022790 -0.023030 30O 3py 0.024118 0.020311 -0.001941 0.004562 0.010011 -0.011362 30O 1dz2 -0.002066 -0.001584 0.000049 0.000150 -0.000285 0.000224 30O 1dxz 0.001276 0.001222 -0.000005 0.000237 -0.000845 0.000779 30O 1dyz 0.000467 0.000307 -0.000250 0.000062 -0.000294 0.000230 30O 1dx2y2 -0.000036 -0.000463 -0.000263 -0.000333 0.000521 -0.000477 30O 1dxy 0.001554 0.001143 0.000013 -0.000114 0.000956 -0.000924 30O 2dz2 -0.005169 -0.004048 0.000452 0.000302 -0.000604 0.000584 30O 2dxz 0.005029 0.004043 0.000468 0.000240 -0.002025 0.002233 30O 2dyz 0.000583 0.000629 0.000242 -0.000592 0.000291 -0.000378 30O 2dx2y2 0.000279 -0.001060 -0.000677 -0.001199 0.002228 -0.002186 30O 2dxy 0.003908 0.003376 -0.000009 0.000195 0.001899 -0.002206 30O 1f0 0.000242 0.000180 -0.000028 -0.000036 0.000198 -0.000255 30O 1f+1 -0.001301 -0.001001 0.000030 0.000043 0.000024 -0.000022 30O 1f-1 -0.001306 -0.001013 -0.000019 0.000048 0.000005 -0.000019 30O 1f+2 0.000315 0.000436 0.000045 0.000176 -0.000169 0.000108 30O 1f-2 0.000085 0.000107 -0.000019 0.000069 -0.000424 0.000377 30O 1f+3 0.000511 0.000539 0.000111 0.000050 0.000119 -0.000073 30O 1f-3 -0.000471 -0.000264 0.000008 0.000161 -0.000358 0.000339 31O 1s 0.000157 -0.000177 0.000519 0.001475 -0.000061 0.000444 31O 2s 0.000402 -0.000424 0.001207 0.003506 -0.000044 0.000992 31O 3s -0.001139 0.000602 -0.001242 -0.004830 -0.001188 -0.000673 31O 4s 0.001125 0.001419 -0.004667 -0.009948 0.002970 -0.003943 31O 5s -0.003591 0.001869 -0.013127 -0.016297 0.003523 -0.003245 31O 1pz 0.088414 -0.070779 0.002910 0.001689 -0.024350 0.022934 31O 1px 0.030772 -0.010538 0.006266 -0.023340 0.046327 -0.041208 31O 1py 0.057678 -0.046430 -0.006751 0.004205 0.026152 -0.026373 31O 2pz 0.074405 -0.058767 0.002709 0.001423 -0.019923 0.018725 31O 2px 0.025110 -0.009001 0.005874 -0.018017 0.037914 -0.033965 31O 2py 0.047791 -0.039290 -0.005685 0.003782 0.020819 -0.021264 31O 3pz 0.044384 -0.034908 -0.006961 -0.003770 -0.008402 0.010016 31O 3px 0.014152 -0.005555 0.011663 -0.007351 0.022115 -0.022173 31O 3py 0.024325 -0.020360 0.001956 0.004277 0.009692 -0.011037 31O 1dz2 0.002076 -0.001582 0.000045 -0.000153 0.000275 -0.000211 31O 1dxz -0.001288 0.001222 -0.000009 -0.000235 0.000827 -0.000752 31O 1dyz -0.000467 0.000306 -0.000250 -0.000045 0.000284 -0.000217 31O 1dx2y2 0.000042 -0.000466 -0.000254 0.000348 -0.000507 0.000463 31O 1dxy -0.001562 0.001141 0.000012 0.000110 -0.000932 0.000896 31O 2dz2 0.005194 -0.004045 0.000443 -0.000329 0.000590 -0.000558 31O 2dxz -0.005067 0.004041 0.000446 -0.000284 0.001982 -0.002159 31O 2dyz -0.000582 0.000625 0.000239 0.000553 -0.000283 0.000364 31O 2dx2y2 -0.000261 -0.001060 -0.000635 0.001238 -0.002173 0.002122 31O 2dxy -0.003926 0.003370 -0.000007 -0.000175 -0.001844 0.002135 31O 1f0 0.000244 -0.000180 0.000027 -0.000038 0.000193 -0.000250 31O 1f+1 -0.001308 0.001000 -0.000029 0.000044 0.000025 -0.000020 31O 1f-1 -0.001314 0.001012 0.000021 0.000048 0.000007 -0.000017 31O 1f+2 0.000321 -0.000437 -0.000039 0.000181 -0.000166 0.000102 31O 1f-2 0.000086 -0.000107 0.000024 0.000072 -0.000413 0.000361 31O 1f+3 0.000516 -0.000539 -0.000112 0.000053 0.000114 -0.000067 31O 1f-3 -0.000471 0.000263 -0.000001 0.000165 -0.000349 0.000327 32O 1s 0.000211 -0.000016 0.019568 -0.021535 -0.003119 -0.000213 32O 2s 0.000511 -0.000039 0.047063 -0.051834 -0.007550 -0.000520 32O 3s -0.000828 0.000062 -0.073486 0.081385 0.012358 0.000896 32O 4s -0.000911 -0.000019 -0.104080 0.113029 0.015294 0.000707 32O 5s -0.001952 0.000630 -0.105080 0.120845 0.020202 0.002729 32O 1pz -0.005615 -0.000317 0.081393 -0.085495 -0.005837 0.001188 32O 1px -0.002894 0.000531 -0.189992 0.197707 0.010062 0.002536 32O 1py 0.002500 -0.000294 0.179815 -0.199932 -0.029318 -0.001659 32O 2pz -0.004592 -0.000195 0.068549 -0.071839 -0.004681 0.001020 32O 2px -0.002324 0.000456 -0.161732 0.167831 0.008052 0.002065 32O 2py 0.002015 -0.000254 0.146847 -0.163684 -0.023805 -0.001350 32O 3pz -0.004610 -0.000175 0.041181 -0.043900 -0.003008 0.002429 32O 3px -0.002231 0.000440 -0.096127 0.101909 0.005648 0.002227 32O 3py 0.001373 0.000172 0.099555 -0.109642 -0.017534 -0.000535 32O 1dz2 -0.000091 -0.000004 0.000050 -0.000032 0.000022 0.000001 32O 1dxz 0.000112 0.000001 0.000211 -0.000238 -0.000048 -0.000016 32O 1dyz -0.000090 -0.000006 0.001203 -0.001293 -0.000129 -0.000017 32O 1dx2y2 0.000026 0.000004 -0.000852 0.000989 0.000210 0.000001 32O 1dxy -0.000060 0.000003 -0.003149 0.003376 0.000294 0.000029 32O 2dz2 -0.000423 0.000022 -0.002097 0.002643 0.000502 0.000081 32O 2dxz 0.000363 -0.000002 -0.000199 0.000507 0.000044 -0.000095 32O 2dyz -0.000673 0.000006 0.005025 -0.005337 -0.000459 -0.000019 32O 2dx2y2 0.000010 -0.000013 -0.005922 0.006214 0.001109 -0.000041 32O 2dxy -0.000278 0.000048 -0.011983 0.012574 0.000934 0.000143 32O 1f0 -0.000043 -0.000004 0.001106 -0.001170 -0.000048 0.000019 32O 1f+1 -0.000055 0.000002 -0.000511 0.000527 -0.000016 0.000024 32O 1f-1 -0.000041 0.000001 0.001228 -0.001335 -0.000165 0.000019 32O 1f+2 0.000016 0.000002 -0.000619 0.000695 0.000039 -0.000003 32O 1f-2 0.000075 -0.000003 0.000420 -0.000460 -0.000079 -0.000046 32O 1f+3 -0.000027 0.000004 -0.001007 0.001170 0.000149 0.000024 32O 1f-3 -0.000040 0.000005 -0.001262 0.001349 0.000079 0.000033 33O 1s -0.000290 -0.000072 -0.001713 -0.001691 -0.000573 -0.000549 33O 2s -0.000653 -0.000163 -0.004158 -0.004108 -0.001276 -0.001225 33O 3s 0.000036 0.000091 0.007044 0.007010 0.000611 0.000671 33O 4s 0.005750 0.000946 0.007812 0.007101 0.006405 0.005953 33O 5s -0.004181 0.000199 -0.001078 0.000939 0.010820 0.006474 33O 1pz 0.032079 0.041449 -0.006474 -0.004316 -0.029967 -0.035422 33O 1px 0.047433 0.027668 -0.000701 0.002439 0.048295 0.047824 33O 1py -0.040901 -0.069437 -0.005352 -0.001162 0.000322 -0.000976 33O 2pz 0.028514 0.034860 -0.005757 -0.003754 -0.023251 -0.028060 33O 2px 0.038313 0.023020 0.000034 0.002586 0.038735 0.038650 33O 2py -0.033847 -0.057965 -0.004202 -0.000554 0.000498 -0.000540 33O 3pz 0.017656 0.019386 -0.003527 -0.003473 -0.009731 -0.014188 33O 3px 0.020760 0.013125 0.004906 0.001748 0.019418 0.023370 33O 3py -0.018076 -0.033575 -0.003893 -0.003159 0.001925 0.001898 33O 1dz2 0.001387 0.001261 -0.000027 0.000076 0.000133 0.000127 33O 1dxz 0.000004 -0.000393 0.000191 0.000163 0.001132 0.001185 33O 1dyz -0.000493 -0.001117 -0.000017 0.000062 0.000099 0.000165 33O 1dx2y2 -0.000996 -0.000435 -0.000022 -0.000144 -0.000827 -0.000790 33O 1dxy 0.000832 0.001551 0.000088 -0.000023 0.000111 0.000170 33O 2dz2 0.003311 0.003346 0.000119 -0.000144 0.001179 0.001328 33O 2dxz -0.001472 -0.001738 0.001179 0.001463 0.001771 0.002337 33O 2dyz -0.001971 -0.002935 0.000152 0.000227 0.001237 0.001463 33O 2dx2y2 -0.002953 -0.001783 -0.001059 -0.000930 -0.002084 -0.002359 33O 2dxy 0.001952 0.004596 0.000094 0.000175 -0.000304 -0.000109 33O 1f0 0.000741 0.000726 -0.000020 0.000046 0.000183 0.000175 33O 1f+1 -0.000776 -0.000821 -0.000047 -0.000072 0.000186 0.000225 33O 1f-1 0.000088 -0.000166 -0.000196 -0.000061 0.000085 -0.000009 33O 1f+2 -0.000103 0.000230 0.000099 -0.000018 -0.000427 -0.000443 33O 1f-2 0.000596 0.000982 0.000012 -0.000081 0.000049 0.000036 33O 1f+3 -0.000287 -0.000081 -0.000017 -0.000082 -0.000176 -0.000212 33O 1f-3 0.000411 0.000753 -0.000025 -0.000027 0.000085 0.000096 34O 1s 0.000182 -0.000189 -0.002020 0.002263 0.000364 -0.000208 34O 2s 0.000440 -0.000431 -0.004885 0.005484 0.000786 -0.000435 34O 3s -0.000868 0.000304 0.008062 -0.009167 -0.000141 -0.000050 34O 4s -0.000560 0.002820 0.010223 -0.010354 -0.003261 0.001667 34O 5s -0.002201 0.000951 -0.004669 -0.000360 -0.009280 0.003599 34O 1pz 0.094360 -0.067162 -0.004637 0.000943 -0.010381 0.008154 34O 1px 0.007947 -0.016891 -0.004334 0.008361 0.057345 -0.049414 34O 1py 0.052296 -0.046583 0.008620 -0.001670 -0.003095 0.007291 34O 2pz 0.079403 -0.056552 -0.003787 0.000446 -0.008410 0.006551 34O 2px 0.007094 -0.013392 -0.004423 0.007550 0.046917 -0.040910 34O 2py 0.044176 -0.039791 0.007227 -0.000900 -0.002412 0.005888 34O 3pz 0.045569 -0.032049 0.000958 0.001284 -0.007505 0.007843 34O 3px 0.006501 -0.007565 -0.007981 0.006753 0.021674 -0.023042 34O 3py 0.022271 -0.021071 0.004369 -0.005013 0.004056 -0.001045 34O 1dz2 -0.000244 0.000251 0.000143 -0.000147 -0.000625 0.000506 34O 1dxz 0.002483 -0.001766 -0.000053 -0.000101 -0.000290 0.000229 34O 1dyz -0.000504 0.000402 -0.000067 0.000045 0.000208 -0.000265 34O 1dx2y2 0.000441 -0.000716 -0.000148 0.000278 0.001247 -0.001055 34O 1dxy 0.001191 -0.001191 0.000151 0.000067 -0.000233 0.000235 34O 2dz2 -0.001963 0.001300 0.000744 -0.000970 -0.001106 0.000982 34O 2dxz 0.007138 -0.005209 0.000449 -0.000235 -0.001344 0.001159 34O 2dyz -0.000631 0.001093 -0.000175 0.000309 0.001097 -0.001148 34O 2dx2y2 0.001097 -0.001532 -0.001655 0.002113 0.002947 -0.003026 34O 2dxy 0.004076 -0.004057 0.000279 -0.000372 0.000749 -0.000537 34O 1f0 -0.001097 0.000766 0.000062 0.000007 0.000144 -0.000080 34O 1f+1 -0.000090 0.000122 0.000017 -0.000054 -0.000341 0.000335 34O 1f-1 -0.000453 0.000377 0.000002 -0.000047 0.000059 -0.000063 34O 1f+2 0.001133 -0.000841 0.000141 -0.000161 -0.000023 0.000067 34O 1f-2 -0.000776 0.000582 0.000136 -0.000036 0.000171 -0.000110 34O 1f+3 -0.000603 0.000667 -0.000123 -0.000085 -0.000434 0.000354 34O 1f-3 -0.000674 0.000663 -0.000002 -0.000085 0.000232 -0.000230 35O 1s -0.000336 -0.000025 0.000310 -0.001095 -0.000238 0.000096 35O 2s -0.000765 -0.000051 0.000710 -0.002607 -0.000647 0.000169 35O 3s 0.000199 -0.000104 -0.000584 0.003653 0.001845 0.000352 35O 4s 0.006144 0.001045 -0.003405 0.007175 0.000609 -0.000275 35O 5s -0.003004 -0.001081 -0.006231 0.010795 -0.001499 -0.001257 35O 1pz 0.048175 0.041778 0.006635 0.012697 -0.002847 0.000115 35O 1px -0.006044 0.024108 -0.002187 -0.015549 0.046983 0.051359 35O 1py -0.049894 -0.068516 0.004153 0.001157 0.014465 0.016953 35O 2pz 0.041148 0.035414 0.006176 0.009624 -0.002118 0.000345 35O 2px -0.002763 0.020713 -0.001821 -0.012368 0.039012 0.042951 35O 2py -0.040944 -0.057660 0.003466 0.000968 0.012365 0.014489 35O 3pz 0.023697 0.018021 0.000776 0.008734 -0.007258 -0.006327 35O 3px -0.000145 0.010478 -0.010077 -0.003310 0.019954 0.025042 35O 3py -0.021249 -0.032996 0.000516 0.001288 0.001796 0.003879 35O 1dz2 0.000413 0.000125 0.000053 0.000094 -0.000669 -0.000765 35O 1dxz 0.001374 0.001141 0.000184 0.000167 0.000027 0.000060 35O 1dyz 0.000533 0.000300 0.000186 0.000022 -0.000158 -0.000231 35O 1dx2y2 0.000306 0.001362 -0.000091 -0.000263 0.000756 0.000815 35O 1dxy -0.001141 -0.001468 0.000070 -0.000057 0.000586 0.000617 35O 2dz2 -0.000424 -0.000172 0.000124 0.000234 -0.001678 -0.002307 35O 2dxz 0.004147 0.003196 0.000503 0.000835 -0.000679 -0.000632 35O 2dyz 0.001028 0.001336 -0.000108 0.000379 -0.001072 -0.001461 35O 2dx2y2 0.001239 0.003706 -0.000457 -0.000761 0.001976 0.002473 35O 2dxy -0.003154 -0.004600 0.000014 0.000162 0.000972 0.001275 35O 1f0 -0.000398 -0.000294 -0.000042 -0.000046 -0.000074 -0.000066 35O 1f+1 0.000322 0.000156 -0.000029 0.000145 -0.000318 -0.000350 35O 1f-1 0.000474 0.000447 -0.000056 0.000104 -0.000221 -0.000154 35O 1f+2 0.000637 0.000684 0.000063 0.000002 0.000147 0.000119 35O 1f-2 0.000473 0.000321 0.000003 0.000087 0.000010 0.000053 35O 1f+3 -0.000563 -0.001188 0.000083 0.000087 -0.000144 -0.000160 35O 1f-3 0.000403 0.000425 -0.000026 0.000104 -0.000360 -0.000430 90 91 92 93 94 95 -0.38648 -0.38644 -0.37961 -0.36688 -0.36668 -0.35708 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s -0.000406 -0.000186 0.000008 -0.000000 0.000016 0.000037 0Rh 2s 0.001551 0.000732 -0.000024 0.000003 -0.000060 -0.000148 0Rh 3s -0.001385 -0.000623 0.000032 -0.000000 0.000058 0.000125 0Rh 4s -0.006582 -0.003117 0.000100 -0.000013 0.000254 0.000634 0Rh 5s 0.005078 0.002575 -0.000036 0.000018 -0.000169 -0.000554 0Rh 6s 0.010125 0.004211 -0.000295 -0.000009 -0.000489 -0.000722 0Rh 7s -0.012164 -0.003110 0.001542 0.000327 -0.000430 -0.000310 0Rh 8s 0.003663 -0.001091 -0.001816 0.000759 -0.000201 0.000907 0Rh 1pz -0.001121 0.003209 0.000039 0.003632 0.001684 0.000001 0Rh 1px 0.000737 0.001334 0.000008 0.001514 -0.000309 -0.000098 0Rh 1py -0.003298 -0.000834 -0.000005 -0.001465 0.003787 0.000073 0Rh 2pz 0.003793 -0.010861 -0.000130 -0.012268 -0.005692 -0.000003 0Rh 2px -0.002489 -0.004512 -0.000023 -0.005118 0.001046 0.000331 0Rh 2py 0.011165 0.002827 0.000017 0.004954 -0.012794 -0.000243 0Rh 3pz -0.003052 0.008754 0.000042 0.009484 0.004487 -0.000004 0Rh 3px 0.001951 0.003599 -0.000036 0.003995 -0.000857 -0.000226 0Rh 3py -0.009059 -0.002333 0.000012 -0.003903 0.009889 0.000143 0Rh 4pz -0.004938 0.014066 0.000367 0.016872 0.007522 0.000024 0Rh 4px 0.003420 0.005960 0.000215 0.006914 -0.001264 -0.000574 0Rh 4py -0.014220 -0.003472 -0.000108 -0.006559 0.017605 0.000483 0Rh 5pz 0.000467 -0.001260 -0.000265 -0.000395 0.000318 -0.000056 0Rh 5px -0.000582 -0.000648 -0.000318 -0.000019 -0.000321 0.000245 0Rh 5py 0.000733 0.000012 0.000101 -0.000243 -0.000423 -0.000197 0Rh 6pz 0.004873 -0.009036 0.001026 -0.029505 -0.015071 0.001541 0Rh 6px -0.002107 -0.003040 0.000970 -0.012416 0.006781 -0.000830 0Rh 6py 0.015586 0.003625 0.000349 0.012613 -0.031037 0.000145 0Rh 1dz2 -0.002322 -0.005588 -0.025510 -0.000095 0.002236 -0.000110 0Rh 1dxz -0.007983 0.008827 -0.012510 -0.008911 -0.002458 -0.000379 0Rh 1dyz 0.000092 0.002999 0.014642 -0.000175 0.001795 0.000451 0Rh 1dx2y2 0.009120 0.004263 -0.017787 -0.006031 0.002145 0.000572 0Rh 1dxy -0.008890 -0.001934 -0.001212 0.001565 -0.008316 0.000295 0Rh 2dz2 0.000056 0.000151 0.000615 0.000028 -0.000044 0.000006 0Rh 2dxz 0.000217 -0.000260 0.000315 0.000219 0.000046 0.000013 0Rh 2dyz -0.000006 -0.000094 -0.000355 -0.000009 -0.000041 -0.000012 0Rh 2dx2y2 -0.000242 -0.000120 0.000424 0.000151 -0.000054 -0.000016 0Rh 2dxy 0.000271 0.000061 0.000025 -0.000022 0.000191 -0.000006 0Rh 3dz2 0.003311 0.008052 0.037150 0.000057 -0.003297 0.000147 0Rh 3dxz 0.011471 -0.012661 0.018202 0.012997 0.003641 0.000534 0Rh 3dyz -0.000176 -0.004269 -0.021283 0.000301 -0.002631 -0.000649 0Rh 3dx2y2 -0.013074 -0.006125 0.025919 0.008776 -0.003120 -0.000819 0Rh 3dxy 0.012733 0.002760 0.001806 -0.002341 0.012174 -0.000430 0Rh 4dz2 0.004589 0.010881 0.049207 0.000394 -0.004210 0.000243 0Rh 4dxz 0.015600 -0.017349 0.024142 0.017197 0.004612 0.000781 0Rh 4dyz -0.000047 -0.005972 -0.028343 0.000217 -0.003426 -0.000896 0Rh 4dx2y2 -0.017870 -0.008328 0.034261 0.011704 -0.004191 -0.001137 0Rh 4dxy 0.017572 0.003844 0.002240 -0.002863 0.015937 -0.000578 0Rh 5dz2 0.002682 0.008640 0.039140 -0.000033 -0.003511 0.000032 0Rh 5dxz 0.011367 -0.013078 0.019011 0.012666 0.003799 0.000259 0Rh 5dyz -0.001080 -0.004319 -0.021589 0.000450 -0.002593 -0.000580 0Rh 5dx2y2 -0.012689 -0.006633 0.027492 0.008487 -0.002878 -0.000567 0Rh 5dxy 0.012976 0.002662 0.002278 -0.002612 0.011931 -0.000276 0Rh 1f0 0.000423 0.000328 0.000284 -0.001979 0.001003 0.000120 0Rh 1f+1 0.000219 -0.000312 -0.000466 -0.001224 -0.000196 0.000037 0Rh 1f-1 0.000974 -0.000541 -0.000209 0.001182 0.002263 0.000106 0Rh 1f+2 0.000022 0.001050 -0.000268 -0.001511 0.000742 0.000092 0Rh 1f-2 0.000792 0.000335 0.000213 0.000087 0.001081 0.000061 0Rh 1f+3 -0.000219 -0.000580 0.000519 0.000554 0.000240 0.000010 0Rh 1f-3 0.000399 0.000135 0.000153 0.000026 -0.001266 -0.000080 1Rh 1s -0.000412 -0.000167 0.000007 0.000007 -0.000015 0.000037 1Rh 2s 0.001576 0.000659 -0.000019 -0.000026 0.000055 -0.000147 1Rh 3s -0.001408 -0.000558 0.000027 0.000022 -0.000053 0.000124 1Rh 4s -0.006686 -0.002805 0.000079 0.000110 -0.000231 0.000630 1Rh 5s 0.005153 0.002327 -0.000021 -0.000084 0.000149 -0.000550 1Rh 6s 0.010301 0.003752 -0.000264 -0.000173 0.000464 -0.000718 1Rh 7s -0.012353 -0.002647 0.001511 -0.000009 0.000417 -0.000312 1Rh 8s 0.003477 -0.000440 -0.001868 -0.000843 0.000201 0.000992 1Rh 1pz 0.001112 -0.003196 -0.000033 0.003633 0.001682 0.000000 1Rh 1px -0.000741 -0.001340 -0.000004 0.001510 -0.000306 0.000105 1Rh 1py 0.003277 0.000831 -0.000005 -0.001465 0.003792 -0.000097 1Rh 2pz -0.003764 0.010816 0.000109 -0.012274 -0.005685 -0.000001 1Rh 2px 0.002505 0.004532 0.000009 -0.005103 0.001035 -0.000353 1Rh 2py -0.011095 -0.002816 0.000018 0.004953 -0.012809 0.000326 1Rh 3pz 0.003027 -0.008712 -0.000028 0.009487 0.004482 0.000008 1Rh 3px -0.001960 -0.003630 0.000047 0.003985 -0.000848 0.000244 1Rh 3py 0.009004 0.002322 -0.000040 -0.003902 0.009901 -0.000206 1Rh 4pz 0.004903 -0.014023 -0.000332 0.016883 0.007512 -0.000026 1Rh 4px -0.003453 -0.005934 -0.000199 0.006889 -0.001248 0.000601 1Rh 4py 0.014130 0.003464 0.000065 -0.006558 0.017626 -0.000603 1Rh 5pz -0.000469 0.001272 0.000258 -0.000401 0.000319 0.000072 1Rh 5px 0.000596 0.000591 0.000322 -0.000005 -0.000324 -0.000239 1Rh 5py -0.000732 -0.000018 -0.000106 -0.000243 -0.000423 0.000213 1Rh 6pz -0.004865 0.009210 -0.001210 -0.029406 -0.015123 -0.001579 1Rh 6px 0.002244 0.002946 -0.001013 -0.012486 0.006802 0.000758 1Rh 6py -0.015634 -0.003694 -0.000373 0.012673 -0.031048 0.000002 1Rh 1dz2 -0.002036 -0.005753 -0.025526 0.000190 -0.002258 -0.000007 1Rh 1dxz -0.007938 0.008645 -0.012468 0.008959 0.002435 -0.000365 1Rh 1dyz 0.000714 0.002831 0.014632 0.000139 -0.001764 0.000419 1Rh 1dx2y2 0.009130 0.004479 -0.017804 0.006093 -0.002130 0.000631 1Rh 1dxy -0.008640 -0.001831 -0.001209 -0.001552 0.008316 0.000241 1Rh 2dz2 0.000051 0.000154 0.000617 -0.000030 0.000045 0.000003 1Rh 2dxz 0.000215 -0.000256 0.000313 -0.000220 -0.000045 0.000013 1Rh 2dyz -0.000018 -0.000091 -0.000355 0.000010 0.000041 -0.000011 1Rh 2dx2y2 -0.000242 -0.000124 0.000425 -0.000152 0.000054 -0.000017 1Rh 2dxy 0.000266 0.000058 0.000024 0.000022 -0.000191 -0.000004 1Rh 3dz2 0.002894 0.008291 0.037168 -0.000195 0.003330 -0.000002 1Rh 3dxz 0.011406 -0.012398 0.018143 -0.013067 -0.003608 0.000513 1Rh 3dyz -0.001079 -0.004025 -0.021268 -0.000246 0.002586 -0.000602 1Rh 3dx2y2 -0.013089 -0.006440 0.025942 -0.008867 0.003098 -0.000905 1Rh 3dxy 0.012371 0.002611 0.001804 0.002323 -0.012173 -0.000352 1Rh 4dz2 0.004038 0.011197 0.049243 -0.000578 0.004252 0.000038 1Rh 4dxz 0.015506 -0.017000 0.024052 -0.017288 -0.004567 0.000757 1Rh 4dyz -0.001242 -0.005650 -0.028321 -0.000148 0.003368 -0.000831 1Rh 4dx2y2 -0.017882 -0.008733 0.034292 -0.011820 0.004157 -0.001252 1Rh 4dxy 0.017087 0.003646 0.002231 0.002839 -0.015934 -0.000470 1Rh 5dz2 0.002212 0.008940 0.039151 -0.000099 0.003536 -0.000101 1Rh 5dxz 0.011312 -0.012758 0.018979 -0.012735 -0.003773 0.000229 1Rh 5dyz -0.002100 -0.004036 -0.021588 -0.000366 0.002522 -0.000530 1Rh 5dx2y2 -0.012725 -0.007056 0.027525 -0.008606 0.002873 -0.000655 1Rh 5dxy 0.012585 0.002488 0.002291 0.002594 -0.011939 -0.000211 1Rh 1f0 -0.000440 -0.000304 -0.000291 -0.001983 0.001004 -0.000129 1Rh 1f+1 -0.000193 0.000291 0.000464 -0.001225 -0.000197 -0.000041 1Rh 1f-1 -0.000993 0.000535 0.000212 0.001180 0.002265 -0.000105 1Rh 1f+2 -0.000034 -0.001068 0.000265 -0.001512 0.000743 -0.000098 1Rh 1f-2 -0.000741 -0.000357 -0.000211 0.000089 0.001080 -0.000062 1Rh 1f+3 0.000219 0.000548 -0.000516 0.000559 0.000240 -0.000010 1Rh 1f-3 -0.000421 -0.000155 -0.000149 0.000027 -0.001268 0.000085 2C 1s 0.000390 -0.000350 -0.000219 -0.000551 -0.000307 0.000172 2C 2s 0.000830 -0.000752 -0.000466 -0.001235 -0.000737 0.000367 2C 3s -0.000832 0.000942 0.000644 0.001476 0.000756 -0.000514 2C 4s -0.005095 0.003701 0.002619 0.007418 0.004925 -0.001750 2C 5s -0.006354 0.009481 0.005557 -0.002495 -0.017095 -0.004111 2C 1pz 0.052492 -0.044849 0.066050 0.081938 -0.032591 -0.055809 2C 1px -0.141673 0.124344 0.043131 0.049976 -0.026329 -0.036063 2C 1py -0.022557 0.018984 -0.119517 -0.116915 0.097912 0.098704 2C 2pz 0.039427 -0.033423 0.051942 0.066764 -0.022933 -0.043989 2C 2px -0.111435 0.097658 0.033295 0.039372 -0.019830 -0.028179 2C 2py -0.018817 0.015590 -0.092721 -0.090396 0.078624 0.077945 2C 3pz 0.015080 -0.013454 0.027567 0.028862 -0.016300 -0.020601 2C 3px -0.050382 0.044384 0.016915 0.019300 -0.008467 -0.012847 2C 3py -0.009364 0.009738 -0.043332 -0.039967 0.031079 0.032430 2C 1dz2 -0.000551 0.000487 -0.001684 -0.001878 0.002267 0.002231 2C 1dxz 0.004650 -0.004119 -0.004606 -0.005153 0.003988 0.004517 2C 1dyz -0.002895 0.002552 0.000825 0.001947 0.000025 -0.001258 2C 1dx2y2 -0.004923 0.004249 -0.002135 -0.002964 0.001642 0.002504 2C 1dxy 0.002451 -0.002044 0.005068 0.005699 -0.003732 -0.004543 2C 2dz2 -0.002109 0.001788 -0.002771 -0.003717 0.004422 0.004867 2C 2dxz 0.004478 -0.003977 -0.003439 -0.003981 0.003558 0.004181 2C 2dyz -0.002676 0.002345 0.001187 0.003489 0.000486 -0.002189 2C 2dx2y2 -0.002574 0.002163 -0.002943 -0.004713 0.002216 0.004165 2C 2dxy 0.002797 -0.002417 0.003628 0.003919 -0.002270 -0.003137 2C 1f0 -0.000667 0.000575 -0.000665 -0.000943 0.000761 0.001029 2C 1f+1 0.000065 -0.000066 0.000204 0.000236 0.000112 -0.000021 2C 1f-1 0.000110 -0.000116 0.000008 0.000204 0.000329 0.000035 2C 1f+2 0.000489 -0.000419 -0.000186 -0.000584 0.000103 0.000514 2C 1f-2 0.000472 -0.000429 -0.000328 -0.000359 0.000340 0.000378 2C 1f+3 0.000074 -0.000052 -0.000306 -0.000241 0.000322 0.000263 2C 1f-3 -0.000485 0.000432 0.000256 0.000471 -0.000128 -0.000378 3C 1s -0.000264 -0.000320 0.000292 -0.000253 0.000631 0.000187 3C 2s -0.000570 -0.000689 0.000622 -0.000612 0.001406 0.000404 3C 3s 0.000849 0.000984 -0.000808 0.000439 -0.001767 -0.000711 3C 4s 0.001502 0.001939 -0.002792 0.005692 -0.006955 -0.000497 3C 5s 0.010049 0.009816 -0.012902 -0.022293 -0.006001 -0.016066 3C 1pz -0.041814 -0.049720 0.120238 0.095150 0.119898 0.099719 3C 1px 0.121871 0.144876 0.024881 0.025814 0.021245 0.021810 3C 1py 0.026440 0.031516 0.072432 0.037254 0.090785 0.061473 3C 2pz -0.033122 -0.039351 0.092935 0.076198 0.092658 0.078595 3C 2px 0.095582 0.113832 0.019893 0.022046 0.016587 0.017826 3C 2py 0.020722 0.025070 0.056683 0.026138 0.072789 0.047853 3C 3pz -0.013150 -0.016045 0.044212 0.029195 0.043025 0.032211 3C 3px 0.046397 0.052958 0.007620 0.006881 0.005887 0.006120 3C 3py 0.008250 0.009010 0.031219 0.017254 0.034954 0.024798 3C 1dz2 0.000826 0.001005 0.001579 0.000726 0.001357 0.000703 3C 1dxz -0.005677 -0.006819 -0.002383 -0.001803 -0.003199 -0.002622 3C 1dyz -0.003062 -0.003636 0.004044 0.002563 0.005422 0.004121 3C 1dx2y2 -0.000019 -0.000041 -0.004799 -0.004524 -0.005209 -0.004888 3C 1dxy 0.001084 0.001271 -0.002764 -0.002618 -0.002656 -0.002494 3C 2dz2 0.001510 0.001848 -0.001069 -0.002254 -0.002628 -0.003260 3C 2dxz -0.005129 -0.006207 -0.002489 -0.001689 -0.003805 -0.003241 3C 2dyz -0.002919 -0.003452 0.003388 0.001219 0.005569 0.004098 3C 2dx2y2 -0.000463 -0.000645 -0.004188 -0.005295 -0.004774 -0.005610 3C 2dxy 0.002346 0.002898 -0.001989 -0.002560 -0.001476 -0.001995 3C 1f0 0.000135 0.000171 -0.000546 -0.000618 -0.000522 -0.000580 3C 1f+1 0.000516 0.000609 -0.000217 -0.000184 -0.000397 -0.000366 3C 1f-1 -0.000059 -0.000070 0.000593 0.000588 0.001020 0.001015 3C 1f+2 -0.000118 -0.000159 0.000026 -0.000141 0.000114 -0.000021 3C 1f-2 -0.000083 -0.000091 0.000097 -0.000034 0.000377 0.000269 3C 1f+3 -0.000513 -0.000610 -0.000284 0.000093 -0.000430 -0.000166 3C 1f-3 -0.000748 -0.000906 -0.000020 -0.000324 -0.000019 -0.000245 4C 1s -0.000105 0.000137 0.000144 -0.000762 -0.001215 -0.000048 4C 2s -0.000232 0.000297 0.000319 -0.001722 -0.002740 -0.000108 4C 3s 0.000838 -0.000833 -0.000691 0.004544 0.007513 0.000414 4C 4s -0.001129 0.000497 -0.000389 -0.006747 -0.011989 -0.001300 4C 5s 0.005944 -0.008975 -0.004712 -0.001218 0.013524 0.006410 4C 1pz -0.019401 0.015965 -0.009835 -0.042284 0.007212 0.037669 4C 1px 0.046106 -0.040407 -0.006841 -0.022708 0.011103 0.024359 4C 1py 0.006198 -0.005362 0.021270 0.048059 -0.049989 -0.065226 4C 2pz -0.013440 0.010691 -0.006930 -0.033058 0.008317 0.031376 4C 2px 0.022733 -0.020226 -0.004127 -0.017567 0.008953 0.020363 4C 2py 0.000956 -0.001058 0.014881 0.039633 -0.038971 -0.053336 4C 3pz -0.006837 0.006431 -0.000617 -0.011000 -0.006298 0.006505 4C 3px 0.000016 0.001122 -0.003501 -0.008926 0.000880 0.007411 4C 3py -0.004396 0.003927 0.018774 0.018953 -0.022973 -0.020790 4C 1dz2 -0.003650 0.003324 -0.004225 -0.004416 0.005043 0.004851 4C 1dxz 0.006850 -0.006244 -0.002334 -0.002410 0.003168 0.002720 4C 1dyz -0.000283 0.000056 0.002243 0.003444 -0.001194 -0.002658 4C 1dx2y2 -0.000114 -0.000241 -0.003026 -0.005454 0.001196 0.003678 4C 1dxy 0.005335 -0.004142 0.000219 0.000268 -0.000637 -0.000211 4C 2dz2 -0.003985 0.003663 -0.011163 -0.011056 0.008742 0.009158 4C 2dxz 0.009543 -0.008943 -0.006095 -0.005859 0.006146 0.005433 4C 2dyz -0.000389 0.000037 0.005551 0.004855 -0.005214 -0.004899 4C 2dx2y2 -0.001954 0.001253 -0.007738 -0.010752 0.002805 0.006872 4C 2dxy 0.006766 -0.005262 0.001468 0.001219 -0.002947 -0.001443 4C 1f0 0.001148 -0.000913 0.001091 0.001470 -0.000535 -0.000966 4C 1f+1 -0.000976 0.000772 0.001303 0.002169 -0.000593 -0.001667 4C 1f-1 0.000187 -0.000251 -0.000083 -0.000238 0.000141 0.000206 4C 1f+2 -0.001000 0.000850 0.000350 -0.000312 -0.000497 0.000177 4C 1f-2 -0.001072 0.000980 -0.000912 -0.001556 0.001131 0.001720 4C 1f+3 -0.001262 0.001237 0.000879 0.001686 -0.001211 -0.001760 4C 1f-3 -0.000453 0.000403 -0.001507 -0.001844 0.002146 0.002210 5C 1s 0.000220 0.000187 -0.000224 -0.001204 0.000774 -0.000173 5C 2s 0.000473 0.000399 -0.000494 -0.002716 0.001749 -0.000385 5C 3s -0.000727 -0.000793 0.001477 0.007984 -0.003955 0.001531 5C 4s -0.001761 0.000355 -0.001867 -0.014512 0.003533 -0.003724 5C 5s -0.009470 -0.008353 0.009254 0.015680 0.005285 0.011490 5C 1pz 0.014480 0.017137 -0.022365 -0.048845 -0.050002 -0.066143 5C 1px -0.039584 -0.047415 -0.004297 -0.014308 -0.007498 -0.014526 5C 1py -0.008796 -0.011072 -0.010431 -0.009995 -0.046328 -0.042106 5C 2pz 0.006903 0.008718 -0.016019 -0.038500 -0.040717 -0.054223 5C 2px -0.018394 -0.023422 -0.002414 -0.010301 -0.007040 -0.011792 5C 2py -0.004200 -0.006053 -0.006006 -0.009909 -0.035589 -0.034785 5C 3pz 0.003169 0.003474 -0.019689 -0.021435 -0.021920 -0.023374 5C 3px -0.000415 0.000822 -0.005730 -0.008294 -0.004899 -0.007408 5C 3py -0.005310 -0.005864 -0.000755 0.006073 -0.011326 -0.004191 5C 1dz2 0.001870 0.002571 -0.003934 -0.002757 -0.005656 -0.004598 5C 1dxz -0.002960 -0.004103 -0.001961 -0.001151 -0.003524 -0.002488 5C 1dyz -0.002676 -0.003158 0.002476 0.001795 0.003579 0.002852 5C 1dx2y2 -0.003172 -0.003840 -0.003414 -0.004928 -0.002979 -0.004005 5C 1dxy 0.005900 0.006569 -0.000591 -0.001614 0.000146 -0.000546 5C 2dz2 0.002414 0.003393 -0.009318 -0.004313 -0.011228 -0.007704 5C 2dxz -0.004191 -0.006175 -0.004823 -0.002894 -0.006739 -0.004622 5C 2dyz -0.003637 -0.004755 0.007170 0.007271 0.006630 0.006341 5C 2dx2y2 -0.003652 -0.004711 -0.009578 -0.009333 -0.008492 -0.008296 5C 2dxy 0.007021 0.008169 -0.002597 -0.002569 -0.001840 -0.001691 5C 1f0 -0.000592 -0.000647 0.000566 0.001007 0.000640 0.000899 5C 1f+1 0.000409 0.000428 0.001614 0.002046 0.002151 0.002403 5C 1f-1 0.000506 0.000525 -0.000478 -0.000085 -0.000063 0.000253 5C 1f+2 0.001306 0.001508 -0.001218 -0.001444 -0.002005 -0.002040 5C 1f-2 -0.000254 -0.000178 -0.000380 -0.000538 0.000055 -0.000071 5C 1f+3 0.001117 0.001505 -0.000393 0.000343 -0.000749 -0.000275 5C 1f-3 0.000997 0.001233 0.001396 0.000865 0.002446 0.001975 6C 1s 0.000224 0.000196 -0.000219 0.001196 -0.000779 -0.000167 6C 2s 0.000483 0.000420 -0.000483 0.002700 -0.001759 -0.000374 6C 3s -0.000748 -0.000826 0.001471 -0.007984 0.003952 0.001511 6C 4s -0.001788 0.000235 -0.001954 0.014687 -0.003398 -0.003746 6C 5s -0.009663 -0.008486 0.009134 -0.015588 -0.005138 0.011431 6C 1pz -0.014962 -0.017322 0.022267 -0.049036 -0.049790 0.066059 6C 1px 0.040905 0.048093 0.004200 -0.014306 -0.007444 0.014505 6C 1py 0.009125 0.011203 0.010501 -0.010245 -0.046306 0.042227 6C 2pz -0.007083 -0.008824 0.015910 -0.038622 -0.040526 0.054137 6C 2px 0.018788 0.023753 0.002389 -0.010305 -0.007038 0.011811 6C 2py 0.004356 0.006167 0.006073 -0.010121 -0.035583 0.034890 6C 3pz -0.003262 -0.003515 0.019562 -0.021430 -0.021807 0.023319 6C 3px 0.000551 -0.000659 0.005721 -0.008288 -0.004897 0.007426 6C 3py 0.005412 0.005853 0.000890 0.005847 -0.011353 0.004224 6C 1dz2 0.001940 0.002607 -0.003930 0.002782 0.005640 -0.004606 6C 1dxz -0.003080 -0.004163 -0.001966 0.001174 0.003528 -0.002496 6C 1dyz -0.002776 -0.003212 0.002478 -0.001813 -0.003573 0.002856 6C 1dx2y2 -0.003287 -0.003897 -0.003395 0.004936 0.002958 -0.003989 6C 1dxy 0.006112 0.006679 -0.000599 0.001616 -0.000143 -0.000536 6C 2dz2 0.002461 0.003422 -0.009311 0.004361 0.011193 -0.007711 6C 2dxz -0.004351 -0.006264 -0.004878 0.002975 0.006788 -0.004665 6C 2dyz -0.003760 -0.004822 0.007170 -0.007331 -0.006614 0.006329 6C 2dx2y2 -0.003759 -0.004752 -0.009548 0.009338 0.008447 -0.008276 6C 2dxy 0.007248 0.008338 -0.002595 0.002559 0.001828 -0.001669 6C 1f0 0.000608 0.000654 -0.000563 0.001008 0.000635 -0.000893 6C 1f+1 -0.000421 -0.000435 -0.001616 0.002061 0.002151 -0.002408 6C 1f-1 -0.000529 -0.000535 0.000480 -0.000086 -0.000064 -0.000254 6C 1f+2 -0.001363 -0.001537 0.001218 -0.001453 -0.001999 0.002038 6C 1f-2 0.000274 0.000185 0.000380 -0.000542 0.000055 0.000070 6C 1f+3 -0.001170 -0.001534 0.000395 0.000341 -0.000746 0.000279 6C 1f-3 -0.001049 -0.001254 -0.001392 0.000873 0.002438 -0.001975 7C 1s -0.000101 0.000124 0.000143 0.000755 0.001212 -0.000050 7C 2s -0.000223 0.000269 0.000318 0.001708 0.002734 -0.000112 7C 3s 0.000825 -0.000790 -0.000680 -0.004529 -0.007485 0.000407 7C 4s -0.001166 0.000606 -0.000345 0.006774 0.011943 -0.001246 7C 5s 0.006684 -0.009434 -0.003923 0.000214 -0.012860 0.005604 7C 1pz 0.020105 -0.016475 0.009927 -0.042458 0.007341 -0.038021 7C 1px -0.047940 0.041644 0.006731 -0.022656 0.011053 -0.024442 7C 1py -0.006337 0.005402 -0.021070 0.047868 -0.049797 0.065408 7C 2pz 0.013801 -0.010960 0.007064 -0.033250 0.008458 -0.031700 7C 2px -0.023424 0.020765 0.004043 -0.017510 0.008912 -0.020418 7C 2py -0.000890 0.000989 -0.014708 0.039475 -0.038794 0.053483 7C 3pz 0.007251 -0.006710 0.000990 -0.011842 -0.005818 -0.007088 7C 3px -0.000273 -0.000939 0.003446 -0.008939 0.000885 -0.007439 7C 3py 0.004646 -0.004109 -0.018504 0.018426 -0.022711 0.020576 7C 1dz2 -0.003799 0.003424 -0.004222 0.004428 -0.005040 0.004883 7C 1dxz 0.007154 -0.006449 -0.002301 0.002397 -0.003148 0.002727 7C 1dyz -0.000303 0.000071 0.002201 -0.003401 0.001163 -0.002627 7C 1dx2y2 -0.000117 -0.000237 -0.003035 0.005471 -0.001209 0.003717 7C 1dxy 0.005563 -0.004298 0.000221 -0.000261 0.000634 -0.000213 7C 2dz2 -0.004131 0.003782 -0.011121 0.011051 -0.008733 0.009209 7C 2dxz 0.009941 -0.009213 -0.006015 0.005818 -0.006103 0.005437 7C 2dyz -0.000408 0.000058 0.005468 -0.004772 0.005157 -0.004844 7C 2dx2y2 -0.002015 0.001287 -0.007805 0.010856 -0.002887 0.007008 7C 2dxy 0.006987 -0.005413 0.001478 -0.001213 0.002936 -0.001454 7C 1f0 -0.001207 0.000952 -0.001089 0.001471 -0.000536 0.000974 7C 1f+1 0.001039 -0.000814 -0.001295 0.002168 -0.000593 0.001677 7C 1f-1 -0.000211 0.000266 0.000066 -0.000223 0.000130 -0.000197 7C 1f+2 0.001043 -0.000879 -0.000342 -0.000320 -0.000491 -0.000186 7C 1f-2 0.001138 -0.001022 0.000905 -0.001552 0.001127 -0.001724 7C 1f+3 0.001329 -0.001281 -0.000870 0.001680 -0.001205 0.001767 7C 1f-3 0.000468 -0.000414 0.001507 -0.001848 0.002146 -0.002223 8C 1s -0.000281 -0.000332 0.000285 0.000253 -0.000624 0.000185 8C 2s -0.000606 -0.000714 0.000609 0.000611 -0.001391 0.000401 8C 3s 0.000900 0.001016 -0.000804 -0.000416 0.001762 -0.000719 8C 4s 0.001648 0.002082 -0.002653 -0.005831 0.006790 -0.000407 8C 5s 0.010009 0.009626 -0.012901 0.022271 0.006092 -0.016212 8C 1pz 0.043544 0.050661 -0.120117 0.095678 0.119523 -0.099661 8C 1px -0.127065 -0.147399 -0.024631 0.025888 0.021076 -0.021749 8C 1py -0.027659 -0.032065 -0.072460 0.037760 0.090674 -0.061635 8C 2pz 0.034466 0.040027 -0.092878 0.076660 0.092406 -0.078575 8C 2px -0.099670 -0.115818 -0.019711 0.022125 0.016471 -0.017779 8C 2py -0.021660 -0.025450 -0.056671 0.026476 0.072668 -0.047972 8C 3pz 0.013806 0.016493 -0.044133 0.029378 0.042850 -0.032153 8C 3px -0.048279 -0.053875 -0.007484 0.006932 0.005739 -0.006068 8C 3py -0.008669 -0.009187 -0.031157 0.017381 0.034848 -0.024841 8C 1dz2 0.000779 0.000924 0.001575 -0.000730 -0.001351 0.000701 8C 1dxz -0.005894 -0.006906 -0.002485 0.001903 0.003314 -0.002724 8C 1dyz -0.003237 -0.003758 0.004001 -0.002553 -0.005360 0.004083 8C 1dx2y2 0.000032 0.000021 -0.004744 0.004510 0.005140 -0.004841 8C 1dxy 0.001175 0.001350 -0.002808 0.002666 0.002699 -0.002533 8C 2dz2 0.001496 0.001792 -0.001080 0.002278 0.002626 -0.003265 8C 2dxz -0.005311 -0.006270 -0.002554 0.001753 0.003872 -0.003311 8C 2dyz -0.003071 -0.003566 0.003364 -0.001213 -0.005526 0.004080 8C 2dx2y2 -0.000464 -0.000640 -0.004171 0.005319 0.004747 -0.005594 8C 2dxy 0.002461 0.002967 -0.002025 0.002602 0.001508 -0.002021 8C 1f0 -0.000149 -0.000183 0.000547 -0.000623 -0.000522 0.000580 8C 1f+1 -0.000535 -0.000617 0.000209 -0.000178 -0.000387 0.000357 8C 1f-1 0.000065 0.000077 -0.000597 0.000596 0.001021 -0.001019 8C 1f+2 0.000118 0.000157 -0.000034 -0.000137 0.000122 0.000014 8C 1f-2 0.000083 0.000088 -0.000095 -0.000034 0.000372 -0.000267 8C 1f+3 0.000521 0.000606 0.000286 0.000091 -0.000433 0.000170 8C 1f-3 0.000784 0.000928 0.000028 -0.000331 -0.000030 0.000253 9C 1s 0.000416 -0.000369 -0.000200 0.000533 0.000318 0.000158 9C 2s 0.000886 -0.000791 -0.000424 0.001195 0.000761 0.000337 9C 3s -0.000877 0.000974 0.000577 -0.001422 -0.000792 -0.000465 9C 4s -0.005401 0.003900 0.002446 -0.007228 -0.005030 -0.001657 9C 5s -0.007072 0.009951 0.004979 0.003651 0.016416 -0.003232 9C 1pz -0.054976 0.046531 -0.066500 0.082456 -0.033055 0.056509 9C 1px 0.148909 -0.129114 -0.042683 0.049848 -0.026225 0.036198 9C 1py 0.023504 -0.019628 0.118803 -0.116482 0.097660 -0.098966 9C 2pz -0.041308 0.034713 -0.052209 0.067083 -0.023255 0.044491 9C 2px 0.117075 -0.101376 -0.032964 0.039302 -0.019766 0.028304 9C 2py 0.019533 -0.016043 0.092272 -0.090155 0.078509 -0.078226 9C 3pz -0.015814 0.013967 -0.027551 0.028710 -0.016307 0.020625 9C 3px 0.053149 -0.046155 -0.016635 0.019051 -0.008306 0.012771 9C 3py 0.009842 -0.010058 0.043080 -0.039913 0.031066 -0.032572 9C 1dz2 -0.000600 0.000523 -0.001632 0.001833 -0.002226 0.002205 9C 1dxz 0.005012 -0.004383 -0.004539 0.005107 -0.003946 0.004503 9C 1dyz -0.003024 0.002631 0.000678 -0.001788 -0.000139 -0.001128 9C 1dx2y2 -0.005146 0.004391 -0.002360 0.003216 -0.001811 0.002720 9C 1dxy 0.002350 -0.001937 0.005031 -0.005669 0.003709 -0.004542 9C 2dz2 -0.002171 0.001821 -0.002780 0.003743 -0.004421 0.004905 9C 2dxz 0.004802 -0.004218 -0.003393 0.003963 -0.003518 0.004173 9C 2dyz -0.002781 0.002399 0.001046 -0.003349 -0.000592 -0.002074 9C 2dx2y2 -0.002716 0.002261 -0.003072 0.004855 -0.002313 0.004314 9C 2dxy 0.002788 -0.002388 0.003555 -0.003847 0.002219 -0.003089 9C 1f0 0.000688 -0.000587 0.000675 -0.000959 0.000767 -0.001046 9C 1f+1 -0.000046 0.000051 -0.000193 0.000223 0.000118 0.000012 9C 1f-1 -0.000109 0.000115 -0.000013 0.000207 0.000327 -0.000034 9C 1f+2 -0.000511 0.000432 0.000173 -0.000572 0.000094 -0.000505 9C 1f-2 -0.000502 0.000451 0.000318 -0.000352 0.000335 -0.000375 9C 1f+3 -0.000109 0.000082 0.000318 -0.000255 0.000329 -0.000275 9C 1f-3 0.000520 -0.000458 -0.000236 0.000454 -0.000109 0.000363 10H 1s -0.080019 0.069940 0.012855 0.011936 -0.012152 -0.010907 10H 2s -0.113219 0.099118 0.019365 0.018188 -0.018193 -0.016479 10H 3s -0.043491 0.036790 0.006871 0.006382 -0.007888 -0.007075 10H 1pz -0.004513 0.003989 0.003393 0.003725 -0.002099 -0.002708 10H 1px 0.005004 -0.004408 -0.000292 0.000083 0.000702 0.000193 10H 1py -0.002848 0.002489 -0.003835 -0.003794 0.003071 0.003189 11H 1s 0.027157 -0.024542 -0.069972 -0.078383 0.048829 0.060961 11H 2s 0.038757 -0.034815 -0.101845 -0.115586 0.072571 0.090414 11H 3s 0.012895 -0.013781 -0.034919 -0.044345 0.029766 0.038454 11H 1pz 0.004362 -0.003832 -0.004195 -0.004068 0.003100 0.003125 11H 1px -0.002304 0.002003 -0.005526 -0.005867 0.003870 0.004510 11H 1py -0.002717 0.002367 0.000593 0.001272 0.000081 -0.000692 12H 1s 0.050716 -0.043819 0.058252 0.059523 -0.047239 -0.050250 12H 2s 0.071912 -0.062260 0.083799 0.086665 -0.068444 -0.073169 12H 3s 0.026776 -0.021915 0.031007 0.037471 -0.027188 -0.032755 12H 1pz 0.000120 -0.000054 0.000398 0.000800 0.000522 -0.000116 12H 1px -0.001687 0.001508 0.005286 0.005477 -0.003839 -0.004296 12H 1py 0.005933 -0.005157 0.003568 0.003410 -0.002626 -0.002649 13H 1s 0.066846 0.079566 -0.021150 -0.017877 -0.019902 -0.017476 13H 2s 0.093399 0.111015 -0.031132 -0.026309 -0.029470 -0.025736 13H 3s 0.033729 0.042145 -0.009324 -0.009192 -0.009769 -0.009578 13H 1pz 0.004947 0.005850 0.001989 0.001469 0.002224 0.001793 13H 1px -0.002347 -0.002759 0.003035 0.002683 0.002734 0.002472 13H 1py -0.002424 -0.002902 0.003608 0.002117 0.004019 0.002837 14H 1s -0.049294 -0.058748 -0.052334 -0.042759 -0.054088 -0.045979 14H 2s -0.069563 -0.082651 -0.075253 -0.061782 -0.078840 -0.066955 14H 3s -0.024941 -0.031626 -0.026737 -0.025207 -0.031657 -0.028490 14H 1pz -0.005121 -0.006076 0.000334 0.000276 0.000446 0.000413 14H 1px -0.002118 -0.002489 -0.005879 -0.004378 -0.005986 -0.004764 14H 1py -0.000287 -0.000300 0.001358 0.000263 0.001816 0.000922 15H 1s -0.016716 -0.019773 0.072113 0.050307 0.081138 0.062976 15H 2s -0.023585 -0.028087 0.105393 0.075098 0.120181 0.093874 15H 3s -0.010078 -0.010746 0.036411 0.031909 0.045134 0.040612 15H 1pz 0.000108 0.000153 -0.002856 -0.001542 -0.003714 -0.002548 15H 1px 0.003912 0.004621 0.003080 0.002361 0.003074 0.002490 15H 1py 0.002878 0.003434 -0.005791 -0.004205 -0.005758 -0.004441 16H 1s 0.006801 -0.002612 0.000206 -0.000112 -0.000683 -0.000021 16H 2s 0.007749 -0.003780 0.000915 0.001230 0.001623 -0.000200 16H 3s 0.000331 0.003287 0.000493 -0.000577 -0.000956 0.000035 16H 1pz 0.000445 -0.000281 -0.000011 0.000017 0.000334 0.000016 16H 1px 0.002007 0.000028 -0.000022 0.000042 -0.000079 0.000006 16H 1py 0.000534 -0.000448 0.000178 0.000266 -0.000103 -0.000020 17H 1s 0.005590 0.004815 0.000182 0.000736 -0.000285 -0.000055 17H 2s 0.006018 0.006495 0.001690 -0.001016 0.001313 -0.000247 17H 3s 0.000936 -0.002520 0.000819 0.001161 -0.000608 0.000089 17H 1pz -0.001402 -0.000551 0.000027 0.000001 -0.000204 0.000058 17H 1px 0.001327 0.000219 -0.000126 0.000144 -0.000243 0.000030 17H 1py 0.000556 0.000635 0.000166 -0.000108 -0.000078 -0.000014 18H 1s 0.005494 0.005186 0.000145 -0.000740 0.000275 -0.000061 18H 2s 0.005934 0.006971 0.001720 0.001030 -0.001268 -0.000251 18H 3s 0.001075 -0.002427 0.000872 -0.001198 0.000593 0.000065 18H 1pz 0.001400 0.000628 -0.000026 0.000000 -0.000200 -0.000059 18H 1px -0.001316 -0.000236 0.000143 0.000148 -0.000238 -0.000029 18H 1py -0.000515 -0.000605 -0.000164 -0.000100 -0.000081 0.000016 19H 1s 0.006920 -0.002216 0.000201 0.000090 0.000692 -0.000018 19H 2s 0.007852 -0.003241 0.000804 -0.001176 -0.001645 -0.000201 19H 3s 0.000231 0.003379 0.000415 0.000590 0.000978 0.000027 19H 1pz -0.000456 0.000235 0.000025 0.000009 0.000336 -0.000013 19H 1px -0.002011 -0.000086 0.000014 0.000051 -0.000080 -0.000005 19H 1py -0.000566 0.000476 -0.000179 0.000272 -0.000098 0.000025 20H 1s -0.017901 -0.020760 0.071958 -0.050592 -0.080805 0.062889 20H 2s -0.025226 -0.029448 0.105151 -0.075499 -0.119670 0.093722 20H 3s -0.010652 -0.011155 0.036408 -0.032141 -0.045028 0.040628 20H 1pz -0.000164 -0.000219 0.002850 -0.001555 -0.003702 0.002547 20H 1px -0.004044 -0.004660 -0.003146 0.002427 0.003145 -0.002551 20H 1py -0.003047 -0.003554 0.005747 -0.004199 -0.005696 0.004403 21H 1s -0.051053 -0.059328 -0.052588 0.043290 0.054333 -0.046302 21H 2s -0.072046 -0.083455 -0.075635 0.062571 0.079216 -0.067442 21H 3s -0.025821 -0.031911 -0.026887 0.025487 0.031836 -0.028679 21H 1pz 0.005352 0.006197 -0.000269 0.000224 0.000374 -0.000356 21H 1px 0.002138 0.002443 0.005893 -0.004420 -0.005996 0.004783 21H 1py 0.000304 0.000315 -0.001338 0.000255 0.001791 -0.000906 22H 1s 0.069819 0.081126 -0.020673 0.017567 0.019275 -0.016994 22H 2s 0.097614 0.113272 -0.030409 0.025837 0.028521 -0.025003 22H 3s 0.035283 0.042938 -0.009055 0.009013 0.009351 -0.009252 22H 1pz -0.005131 -0.005921 -0.002049 0.001529 0.002284 -0.001847 22H 1px 0.002495 0.002866 -0.002983 0.002659 0.002670 -0.002426 22H 1py 0.002574 0.003012 -0.003594 0.002128 0.003993 -0.002828 23H 1s 0.052312 -0.044706 0.058808 -0.060254 0.047714 -0.051109 23H 2s 0.074255 -0.063589 0.084609 -0.087768 0.069153 -0.074459 23H 3s 0.027549 -0.022338 0.031340 -0.037961 0.027481 -0.033382 23H 1pz -0.000113 0.000049 -0.000361 0.000759 0.000549 0.000083 23H 1px 0.001928 -0.001695 -0.005188 0.005403 -0.003772 0.004257 23H 1py -0.006175 0.005306 -0.003709 0.003562 -0.002729 0.002780 24H 1s 0.029724 -0.026432 -0.069284 0.077921 -0.048460 0.060911 24H 2s 0.042410 -0.037488 -0.100861 0.114890 -0.072037 0.090344 24H 3s 0.014215 -0.014793 -0.034653 0.044193 -0.029571 0.038453 24H 1pz -0.004675 0.004054 0.004079 -0.003968 0.003026 -0.003066 24H 1px 0.002260 -0.001946 0.005580 -0.005940 0.003913 -0.004590 24H 1py 0.002896 -0.002491 -0.000472 0.001146 0.000165 0.000598 25H 1s -0.084218 0.072748 0.011587 -0.010761 0.011296 -0.010041 25H 2s -0.119124 0.103054 0.017507 -0.016448 0.016945 -0.015207 25H 3s -0.045531 0.038175 0.006284 -0.005824 0.007465 -0.006622 25H 1pz 0.004811 -0.004198 -0.003307 0.003652 -0.002054 0.002671 25H 1px -0.005256 0.004573 0.000139 0.000232 0.000595 -0.000079 25H 1py 0.002872 -0.002482 0.003858 -0.003819 0.003097 -0.003227 26O 1s 0.001522 -0.001435 0.000085 0.001230 0.001549 0.000011 26O 2s 0.003564 -0.003371 0.000195 0.002974 0.003770 0.000030 26O 3s -0.004492 0.004363 -0.000149 -0.005016 -0.006760 -0.000099 26O 4s -0.008881 0.008137 -0.001314 -0.005941 -0.005215 0.000366 26O 5s -0.012584 0.013045 -0.002081 -0.005417 -0.004958 -0.000153 26O 1pz 0.005324 -0.009465 -0.036307 -0.051161 0.048202 0.054875 26O 1px -0.068070 0.056212 -0.023481 -0.032943 0.029894 0.033987 26O 1py -0.014171 0.021374 0.056510 0.099177 -0.054037 -0.088237 26O 2pz 0.003830 -0.007570 -0.029928 -0.043303 0.039694 0.045985 26O 2px -0.055504 0.045654 -0.019089 -0.028281 0.023616 0.028512 26O 2py -0.011816 0.017792 0.047319 0.083250 -0.046696 -0.074607 26O 3pz 0.005372 -0.006938 -0.021225 -0.028717 0.025450 0.030508 26O 3px -0.032347 0.025835 -0.011915 -0.021488 0.007874 0.018156 26O 3py -0.004091 0.009178 0.030149 0.049419 -0.030900 -0.045551 26O 1dz2 -0.000767 0.000662 -0.000416 -0.000025 0.000379 0.000059 26O 1dxz 0.000061 -0.000009 0.000383 0.000975 -0.000666 -0.001053 26O 1dyz 0.000017 0.000039 0.000374 0.000522 -0.000172 -0.000370 26O 1dx2y2 0.000984 -0.000856 0.000476 0.001048 -0.001094 -0.001329 26O 1dxy 0.000772 -0.000743 -0.000794 -0.001610 0.000820 0.001497 26O 2dz2 -0.002313 0.001879 -0.001760 -0.001754 0.001120 0.000955 26O 2dxz -0.000790 0.000722 0.000624 0.001941 -0.001577 -0.002515 26O 2dyz -0.001377 0.001435 0.001485 0.002005 -0.001731 -0.001767 26O 2dx2y2 0.002487 -0.002272 0.000575 0.002243 -0.001779 -0.003064 26O 2dxy 0.001153 -0.001181 -0.002323 -0.004622 0.002812 0.004393 26O 1f0 0.000145 -0.000103 -0.000014 0.000188 -0.000125 -0.000268 26O 1f+1 0.000415 -0.000381 -0.000021 -0.000067 -0.000012 0.000043 26O 1f-1 0.000290 -0.000260 -0.000245 -0.000472 0.000218 0.000433 26O 1f+2 -0.000259 0.000134 -0.000347 -0.000591 0.000409 0.000597 26O 1f-2 -0.000058 0.000060 -0.000252 -0.000406 0.000240 0.000375 26O 1f+3 0.000204 -0.000083 0.000541 0.001061 -0.000778 -0.001158 26O 1f-3 0.000518 -0.000446 -0.000204 -0.000454 0.000290 0.000474 27O 1s -0.001539 -0.001804 0.000088 0.001499 -0.001296 -0.000124 27O 2s -0.003610 -0.004227 0.000224 0.003653 -0.003128 -0.000290 27O 3s 0.004589 0.005275 -0.000553 -0.006640 0.005183 0.000303 27O 4s 0.009573 0.011477 0.000410 -0.004688 0.006276 0.001256 27O 5s 0.012457 0.015955 0.001618 -0.005506 0.008681 0.003883 27O 1pz -0.007433 -0.018230 -0.055654 -0.061726 -0.090107 -0.087248 27O 1px 0.060219 0.069943 -0.009779 -0.004547 -0.019259 -0.013995 27O 1py 0.001253 -0.005205 -0.040721 -0.057263 -0.052802 -0.061891 27O 2pz -0.005734 -0.014695 -0.046396 -0.052436 -0.075773 -0.073624 27O 2px 0.049072 0.056493 -0.008663 -0.005751 -0.016061 -0.012624 27O 2py 0.001229 -0.004288 -0.033496 -0.047048 -0.044650 -0.051767 27O 3pz -0.004853 -0.010888 -0.028961 -0.031489 -0.045678 -0.044816 27O 3px 0.026448 0.031592 -0.005559 -0.010297 -0.006418 -0.008164 27O 3py 0.003329 -0.000852 -0.023589 -0.029559 -0.029604 -0.034078 27O 1dz2 0.000671 0.000751 -0.000527 -0.000189 -0.000514 -0.000319 27O 1dxz 0.000232 0.000316 0.000764 0.001284 0.001572 0.001775 27O 1dyz -0.000067 -0.000066 0.000034 -0.000280 -0.000124 -0.000300 27O 1dx2y2 -0.001147 -0.001341 0.000007 -0.000077 0.000647 0.000478 27O 1dxy 0.000267 0.000381 0.000576 0.000862 0.001087 0.001202 27O 2dz2 0.001204 0.001046 -0.002307 -0.001962 -0.002889 -0.002159 27O 2dxz 0.001270 0.001493 0.001839 0.003005 0.004268 0.004812 27O 2dyz -0.001091 -0.001298 0.000372 0.000191 -0.000272 -0.000645 27O 2dx2y2 -0.002938 -0.003492 -0.000567 0.000031 0.000402 0.000800 27O 2dxy -0.000689 -0.000711 0.001527 0.002575 0.002914 0.003330 27O 1f0 0.000083 0.000158 0.000314 0.000549 0.000621 0.000738 27O 1f+1 -0.000343 -0.000452 0.000090 0.000110 0.000215 0.000195 27O 1f-1 0.000068 0.000116 0.000309 0.000303 0.000360 0.000349 27O 1f+2 0.000035 -0.000016 -0.000463 -0.000596 -0.000828 -0.000899 27O 1f-2 0.000107 0.000204 0.000264 0.000393 0.000445 0.000509 27O 1f+3 -0.000429 -0.000445 0.000250 0.000315 0.000508 0.000547 27O 1f-3 0.000274 0.000374 0.000279 0.000434 0.000607 0.000679 28O 1s -0.001891 0.001459 0.000008 0.001218 0.001562 -0.000112 28O 2s -0.004410 0.003390 0.000022 0.002957 0.003788 -0.000273 28O 3s 0.005103 -0.003777 -0.000091 -0.005181 -0.006605 0.000462 28O 4s 0.014374 -0.011109 0.000199 -0.004758 -0.005902 0.000557 28O 5s 0.017351 -0.015917 -0.001995 -0.006842 -0.006957 0.001695 28O 1pz 0.041886 -0.031721 -0.032435 -0.037816 0.046064 0.049309 28O 1px -0.062508 0.056738 -0.018526 -0.026610 0.020567 0.028585 28O 1py -0.004879 -0.002765 0.049301 0.076535 -0.047647 -0.078099 28O 2pz 0.032915 -0.024602 -0.026978 -0.032862 0.037408 0.041526 28O 2px -0.049658 0.045117 -0.015580 -0.022143 0.018278 0.024356 28O 2py -0.004237 -0.002359 0.041797 0.065008 -0.041392 -0.066493 28O 3pz 0.018174 -0.014701 -0.018598 -0.022466 0.020167 0.025774 28O 3px -0.026799 0.025324 -0.010245 -0.009664 0.016165 0.015252 28O 3py -0.003016 -0.002154 0.024602 0.037183 -0.023806 -0.039660 28O 1dz2 0.000099 -0.000062 0.000112 0.000851 -0.000512 -0.000975 28O 1dxz 0.001399 -0.001179 -0.000403 -0.000244 0.000646 0.000478 28O 1dyz -0.000018 0.000049 -0.000273 -0.000720 0.000686 0.000920 28O 1dx2y2 -0.000990 0.000864 -0.000478 -0.000621 0.000152 0.000467 28O 1dxy 0.000068 -0.000097 0.000670 0.001306 -0.000862 -0.001408 28O 2dz2 0.001594 -0.001193 -0.000423 0.000933 -0.001022 -0.001929 28O 2dxz 0.002510 -0.002007 -0.001708 -0.002084 0.001825 0.002006 28O 2dyz 0.001763 -0.001498 -0.000462 -0.001941 0.000927 0.002284 28O 2dx2y2 -0.002549 0.002308 -0.001925 -0.002407 0.001790 0.002127 28O 2dxy -0.000181 0.000097 0.002072 0.003971 -0.002914 -0.004325 28O 1f0 -0.000148 0.000215 -0.000265 -0.000374 0.000285 0.000473 28O 1f+1 -0.000328 0.000256 0.000293 0.000640 -0.000466 -0.000751 28O 1f-1 -0.000024 0.000044 -0.000020 0.000020 -0.000100 -0.000102 28O 1f+2 0.000515 -0.000461 -0.000167 -0.000133 0.000177 0.000174 28O 1f-2 -0.000076 0.000134 -0.000433 -0.000768 0.000558 0.000881 28O 1f+3 0.000214 -0.000157 0.000098 0.000163 -0.000093 -0.000128 28O 1f-3 -0.000111 0.000135 -0.000331 -0.000659 0.000497 0.000752 29O 1s 0.001506 0.000296 0.000063 0.000082 -0.000072 -0.000007 29O 2s 0.003617 0.000715 0.000158 0.000202 -0.000167 -0.000021 29O 3s -0.005617 -0.001159 -0.000285 -0.000372 0.000239 0.000075 29O 4s -0.007940 -0.001298 0.000037 -0.000251 0.000917 -0.000219 29O 5s -0.008324 -0.002327 -0.002685 -0.000561 -0.003596 0.000838 29O 1pz -0.016051 0.007523 -0.000608 0.000315 0.001826 0.000019 29O 1px 0.037409 0.009695 0.001323 0.002755 -0.003429 -0.000257 29O 1py -0.004452 -0.002119 0.000326 0.000132 -0.000734 0.000099 29O 2pz -0.013262 0.005661 -0.000539 0.000131 0.001598 0.000046 29O 2px 0.031329 0.007896 0.001065 0.002312 -0.003299 -0.000116 29O 2py -0.003443 -0.001660 0.000374 0.000272 -0.000940 0.000059 29O 3pz -0.009478 0.003178 -0.000689 0.003216 0.002089 -0.000021 29O 3px 0.023063 0.005521 0.000219 0.002915 -0.001521 -0.000536 29O 3py -0.001044 -0.000734 0.001141 -0.000926 0.003033 -0.000141 29O 1dz2 0.000075 -0.000176 0.000016 -0.000008 -0.000009 0.000001 29O 1dxz -0.000085 0.000189 0.000009 0.000015 0.000023 -0.000002 29O 1dyz 0.000199 -0.000186 -0.000004 0.000025 -0.000015 0.000001 29O 1dx2y2 0.000099 0.000085 0.000004 0.000023 -0.000025 -0.000003 29O 1dxy -0.000469 -0.000185 -0.000027 -0.000026 0.000041 0.000003 29O 2dz2 0.000371 -0.000514 0.000179 -0.000092 -0.000211 0.000006 29O 2dxz -0.000234 0.000600 0.000006 0.000145 -0.000016 0.000023 29O 2dyz 0.000905 -0.000369 -0.000026 -0.000373 -0.000169 -0.000021 29O 2dx2y2 0.000090 0.000217 0.000225 0.000082 -0.000013 0.000002 29O 2dxy -0.002305 -0.000648 0.000017 -0.000284 0.000192 0.000002 29O 1f0 -0.000220 0.000032 0.000029 0.000006 0.000052 -0.000001 29O 1f+1 0.000122 0.000129 -0.000027 0.000014 -0.000017 -0.000002 29O 1f-1 -0.000072 0.000028 -0.000001 0.000013 0.000042 -0.000000 29O 1f+2 0.000102 -0.000018 -0.000010 0.000007 -0.000021 -0.000002 29O 1f-2 0.000021 -0.000090 0.000035 -0.000025 -0.000003 -0.000004 29O 1f+3 0.000050 0.000056 0.000022 0.000015 -0.000017 -0.000001 29O 1f-3 0.000189 0.000070 0.000012 0.000032 -0.000037 -0.000001 30O 1s 0.001310 0.001721 -0.000139 0.001514 -0.001285 0.000107 30O 2s 0.003043 0.004015 -0.000309 0.003697 -0.003097 0.000278 30O 3s -0.003465 -0.004754 0.000077 -0.006856 0.005039 -0.000747 30O 4s -0.009351 -0.011932 0.002618 -0.003933 0.006782 0.000826 30O 5s -0.010963 -0.016898 0.003955 -0.005818 0.007643 0.000835 30O 1pz -0.029585 -0.026907 -0.049246 -0.041669 -0.085661 -0.079503 30O 1px 0.050919 0.062326 -0.011362 -0.008457 -0.017679 -0.014780 30O 1py 0.022470 0.033504 -0.039029 -0.046476 -0.050745 -0.057455 30O 2pz -0.024209 -0.021366 -0.042278 -0.037017 -0.072790 -0.067948 30O 2px 0.040982 0.050111 -0.008865 -0.006073 -0.014926 -0.012169 30O 2py 0.017878 0.026566 -0.031949 -0.037613 -0.043197 -0.048134 30O 3pz -0.014048 -0.011433 -0.025567 -0.024015 -0.040240 -0.040511 30O 3px 0.024405 0.028158 -0.003898 0.001901 -0.011767 -0.006383 30O 3py 0.011116 0.017104 -0.021463 -0.020488 -0.030056 -0.030783 30O 1dz2 -0.000317 -0.000401 0.000317 0.000827 0.001141 0.001334 30O 1dxz -0.000828 -0.000967 -0.000700 -0.000488 -0.001306 -0.001155 30O 1dyz -0.000417 -0.000521 0.000146 -0.000061 -0.000094 -0.000175 30O 1dx2y2 0.000458 0.000585 -0.000160 -0.000037 0.000262 0.000242 30O 1dxy 0.000830 0.001066 -0.000640 -0.000969 -0.000893 -0.001119 30O 2dz2 -0.000591 -0.000562 0.000238 0.001639 0.002173 0.003080 30O 2dxz -0.002143 -0.002290 -0.002750 -0.002868 -0.004522 -0.004210 30O 2dyz 0.000466 0.000523 0.000399 0.000405 -0.000088 -0.000221 30O 2dx2y2 0.002053 0.002611 -0.001037 -0.000147 -0.000736 0.000003 30O 2dxy 0.001968 0.002357 -0.001646 -0.001992 -0.003041 -0.003125 30O 1f0 0.000192 0.000269 -0.000072 -0.000022 -0.000132 -0.000129 30O 1f+1 0.000070 0.000012 0.000402 0.000591 0.000867 0.000970 30O 1f-1 0.000071 -0.000006 0.000476 0.000467 0.000776 0.000817 30O 1f+2 -0.000146 -0.000149 -0.000251 -0.000232 -0.000460 -0.000437 30O 1f-2 -0.000465 -0.000520 -0.000002 -0.000016 -0.000106 -0.000113 30O 1f+3 0.000145 0.000204 -0.000092 -0.000207 -0.000316 -0.000388 30O 1f-3 -0.000368 -0.000407 0.000181 0.000282 0.000344 0.000376 31O 1s 0.001328 0.001720 -0.000138 -0.001508 0.001279 0.000107 31O 2s 0.003083 0.004012 -0.000306 -0.003683 0.003082 0.000278 31O 3s -0.003493 -0.004724 0.000079 0.006829 -0.005025 -0.000736 31O 4s -0.009511 -0.011992 0.002572 0.003936 -0.006690 0.000767 31O 5s -0.011066 -0.016987 0.003938 0.005770 -0.007668 0.000873 31O 1pz 0.030630 0.027431 0.049120 -0.042032 -0.085406 0.079666 31O 1px -0.052489 -0.063086 0.011389 -0.008574 -0.017664 0.014815 31O 1py -0.023477 -0.033964 0.038884 -0.046631 -0.050446 0.057394 31O 2pz 0.025056 0.021783 0.042164 -0.037327 -0.072575 0.068080 31O 2px -0.042276 -0.050729 0.008896 -0.006174 -0.014923 0.012213 31O 2py -0.018680 -0.026919 0.031841 -0.037749 -0.042959 0.048101 31O 3pz 0.014553 0.011623 0.025516 -0.024184 -0.040102 0.040581 31O 3px -0.025276 -0.028484 0.003951 0.001827 -0.011771 0.006450 31O 3py -0.011595 -0.017316 0.021387 -0.020569 -0.029877 0.030758 31O 1dz2 -0.000323 -0.000404 0.000316 -0.000830 -0.001137 0.001333 31O 1dxz -0.000859 -0.000984 -0.000698 0.000493 0.001303 -0.001157 31O 1dyz -0.000426 -0.000528 0.000147 0.000060 0.000093 -0.000174 31O 1dx2y2 0.000476 0.000593 -0.000160 0.000037 -0.000261 0.000242 31O 1dxy 0.000863 0.001081 -0.000638 0.000973 0.000888 -0.001117 31O 2dz2 -0.000611 -0.000568 0.000234 -0.001649 -0.002166 0.003080 31O 2dxz -0.002232 -0.002323 -0.002742 0.002888 0.004507 -0.004213 31O 2dyz 0.000478 0.000525 0.000403 -0.000409 0.000078 -0.000213 31O 2dx2y2 0.002136 0.002649 -0.001042 0.000151 0.000739 -0.000005 31O 2dxy 0.002047 0.002381 -0.001645 0.002003 0.003031 -0.003128 31O 1f0 -0.000203 -0.000272 0.000071 -0.000022 -0.000130 0.000129 31O 1f+1 -0.000071 -0.000013 -0.000400 0.000594 0.000864 -0.000970 31O 1f-1 -0.000073 0.000005 -0.000475 0.000470 0.000773 -0.000818 31O 1f+2 0.000149 0.000151 0.000250 -0.000234 -0.000458 0.000437 31O 1f-2 0.000479 0.000527 0.000001 -0.000017 -0.000105 0.000113 31O 1f+3 -0.000147 -0.000205 0.000093 -0.000209 -0.000315 0.000389 31O 1f-3 0.000380 0.000413 -0.000180 0.000284 0.000343 -0.000376 32O 1s 0.001511 0.000444 0.000055 -0.000084 0.000073 -0.000007 32O 2s 0.003627 0.001072 0.000138 -0.000206 0.000168 -0.000021 32O 3s -0.005625 -0.001735 -0.000252 0.000376 -0.000240 0.000074 32O 4s -0.007994 -0.002033 0.000069 0.000281 -0.000931 -0.000214 32O 5s -0.008284 -0.003292 -0.002598 0.000481 0.003596 0.000835 32O 1pz 0.016070 -0.007045 0.000647 0.000246 0.001857 -0.000021 32O 1px -0.037319 -0.010931 -0.001217 0.002878 -0.003406 0.000298 32O 1py 0.004654 0.003074 -0.000375 0.000182 -0.000708 -0.000084 32O 2pz 0.013277 -0.005268 0.000583 0.000072 0.001623 -0.000045 32O 2px -0.031262 -0.008921 -0.000974 0.002420 -0.003279 0.000149 32O 2py 0.003604 0.002446 -0.000411 0.000324 -0.000919 -0.000045 32O 3pz 0.009548 -0.002920 0.000857 0.003135 0.002109 0.000021 32O 3px -0.022954 -0.006264 -0.000112 0.002966 -0.001493 0.000552 32O 3py 0.001169 0.001268 -0.001152 -0.000906 0.003050 0.000145 32O 1dz2 0.000070 -0.000166 0.000016 0.000009 0.000008 0.000001 32O 1dxz -0.000081 0.000196 0.000009 -0.000014 -0.000023 -0.000002 32O 1dyz 0.000207 -0.000181 -0.000005 -0.000025 0.000014 0.000001 32O 1dx2y2 0.000099 0.000085 0.000004 -0.000024 0.000025 -0.000004 32O 1dxy -0.000468 -0.000201 -0.000026 0.000027 -0.000041 0.000003 32O 2dz2 0.000345 -0.000506 0.000184 0.000070 0.000206 0.000009 32O 2dxz -0.000211 0.000615 -0.000001 -0.000154 0.000015 0.000022 32O 2dyz 0.000921 -0.000344 -0.000009 0.000368 0.000185 -0.000018 32O 2dx2y2 0.000091 0.000197 0.000222 -0.000093 0.000012 0.000000 32O 2dxy -0.002303 -0.000718 0.000030 0.000282 -0.000188 0.000004 32O 1f0 0.000216 -0.000025 -0.000028 0.000004 0.000049 0.000002 32O 1f+1 -0.000121 -0.000134 0.000030 0.000015 -0.000017 0.000002 32O 1f-1 0.000082 -0.000021 0.000001 0.000014 0.000044 0.000001 32O 1f+2 -0.000110 0.000013 0.000010 0.000008 -0.000023 0.000002 32O 1f-2 -0.000029 0.000090 -0.000036 -0.000024 -0.000005 0.000004 32O 1f+3 -0.000047 -0.000059 -0.000021 0.000014 -0.000016 0.000001 32O 1f-3 -0.000184 -0.000079 -0.000011 0.000032 -0.000036 0.000001 33O 1s -0.001921 0.001490 -0.000003 -0.001202 -0.001566 -0.000104 33O 2s -0.004477 0.003462 -0.000004 -0.002919 -0.003796 -0.000254 33O 3s 0.005141 -0.003843 -0.000062 0.005130 0.006610 0.000440 33O 4s 0.014706 -0.011389 0.000315 0.004627 0.005950 0.000473 33O 5s 0.017583 -0.016209 -0.001861 0.006612 0.007083 0.001588 33O 1pz -0.043654 0.032893 0.032159 -0.037806 0.045906 -0.049512 33O 1px 0.064904 -0.058424 0.018590 -0.026736 0.020565 -0.028738 33O 1py 0.004698 0.002864 -0.048944 0.076318 -0.047372 0.078130 33O 2pz -0.034335 0.025541 0.026794 -0.032901 0.037313 -0.041736 33O 2px 0.051601 -0.046480 0.015610 -0.022226 0.018258 -0.024469 33O 2py 0.004118 0.002415 -0.041488 0.064815 -0.041157 0.066519 33O 3pz -0.018900 0.015136 0.018328 -0.022334 0.019993 -0.025797 33O 3px 0.027957 -0.026048 0.010247 -0.009655 0.016110 -0.015286 33O 3py 0.002990 0.002196 -0.024458 0.037121 -0.023683 0.039662 33O 1dz2 0.000106 -0.000067 0.000110 -0.000851 0.000511 -0.000981 33O 1dxz 0.001457 -0.001219 -0.000398 0.000245 -0.000645 0.000482 33O 1dyz -0.000012 0.000047 -0.000270 0.000716 -0.000681 0.000920 33O 1dx2y2 -0.001031 0.000894 -0.000479 0.000622 -0.000152 0.000468 33O 1dxy 0.000078 -0.000104 0.000665 -0.001303 0.000859 -0.001411 33O 2dz2 0.001659 -0.001233 -0.000418 -0.000936 0.001023 -0.001941 33O 2dxz 0.002632 -0.002088 -0.001708 0.002097 -0.001831 0.002033 33O 2dyz 0.001833 -0.001546 -0.000456 0.001932 -0.000919 0.002289 33O 2dx2y2 -0.002671 0.002392 -0.001926 0.002414 -0.001790 0.002138 33O 2dxy -0.000187 0.000105 0.002051 -0.003957 0.002897 -0.004330 33O 1f0 0.000157 -0.000222 0.000264 -0.000373 0.000283 -0.000474 33O 1f+1 0.000338 -0.000263 -0.000292 0.000642 -0.000466 0.000756 33O 1f-1 0.000023 -0.000045 0.000020 0.000019 -0.000099 0.000100 33O 1f+2 -0.000537 0.000476 0.000166 -0.000134 0.000178 -0.000176 33O 1f-2 0.000079 -0.000136 0.000428 -0.000763 0.000553 -0.000880 33O 1f+3 -0.000226 0.000165 -0.000099 0.000163 -0.000093 0.000129 33O 1f-3 0.000116 -0.000138 0.000329 -0.000658 0.000496 -0.000755 34O 1s -0.001553 -0.001814 0.000087 -0.001499 0.001294 -0.000127 34O 2s -0.003642 -0.004248 0.000223 -0.003652 0.003124 -0.000299 34O 3s 0.004614 0.005292 -0.000542 0.006631 -0.005185 0.000326 34O 4s 0.009655 0.011530 0.000365 0.004727 -0.006218 0.001224 34O 5s 0.012556 0.016177 0.001740 0.005447 -0.008819 0.004035 34O 1pz 0.007765 0.018466 0.055661 -0.062224 -0.089958 0.087226 34O 1px -0.062148 -0.070947 0.009963 -0.004761 -0.019365 0.014110 34O 1py -0.000996 0.005261 0.040655 -0.057492 -0.052638 0.061742 34O 2pz 0.006001 0.014889 0.046382 -0.052844 -0.075634 0.073597 34O 2px -0.050688 -0.057323 0.008817 -0.005929 -0.016155 0.012720 34O 2py -0.001011 0.004340 0.033448 -0.047242 -0.044520 0.051650 34O 3pz 0.005190 0.011057 0.029021 -0.031773 -0.045623 0.044801 34O 3px -0.027353 -0.031862 0.005671 -0.010407 -0.006525 0.008229 34O 3py -0.003408 0.000744 0.023518 -0.029662 -0.029462 0.033958 34O 1dz2 0.000690 0.000762 -0.000528 0.000193 0.000514 -0.000321 34O 1dxz 0.000242 0.000323 0.000762 -0.001292 -0.001568 0.001774 34O 1dyz -0.000078 -0.000070 0.000034 0.000281 0.000124 -0.000300 34O 1dx2y2 -0.001188 -0.001364 0.000011 0.000073 -0.000649 0.000481 34O 1dxy 0.000276 0.000385 0.000576 -0.000867 -0.001085 0.001201 34O 2dz2 0.001245 0.001065 -0.002311 0.001978 0.002886 -0.002159 34O 2dxz 0.001318 0.001520 0.001829 -0.003022 -0.004251 0.004810 34O 2dyz -0.001139 -0.001319 0.000376 -0.000196 0.000269 -0.000643 34O 2dx2y2 -0.003063 -0.003547 -0.000554 -0.000041 -0.000411 0.000809 34O 2dxy -0.000707 -0.000720 0.001526 -0.002591 -0.002909 0.003329 34O 1f0 -0.000086 -0.000162 -0.000313 0.000552 0.000619 -0.000736 34O 1f+1 0.000356 0.000457 -0.000091 0.000112 0.000216 -0.000197 34O 1f-1 -0.000070 -0.000117 -0.000309 0.000305 0.000360 -0.000349 34O 1f+2 -0.000032 0.000017 0.000462 -0.000599 -0.000825 0.000898 34O 1f-2 -0.000111 -0.000208 -0.000265 0.000397 0.000445 -0.000509 34O 1f+3 0.000443 0.000452 -0.000252 0.000319 0.000508 -0.000548 34O 1f-3 -0.000284 -0.000378 -0.000279 0.000436 0.000605 -0.000678 35O 1s 0.001524 -0.001426 0.000074 -0.001216 -0.001552 0.000015 35O 2s 0.003567 -0.003348 0.000169 -0.002942 -0.003777 0.000040 35O 3s -0.004463 0.004297 -0.000117 0.004970 0.006767 -0.000109 35O 4s -0.008882 0.008107 -0.001190 0.005828 0.005266 0.000298 35O 5s -0.012753 0.013087 -0.002167 0.005358 0.004966 -0.000085 35O 1pz -0.005454 0.009559 0.036241 -0.051356 0.048191 -0.055414 35O 1px 0.070472 -0.057762 0.023456 -0.032928 0.029854 -0.034227 35O 1py 0.015201 -0.022047 -0.056301 0.099124 -0.053909 0.088752 35O 2pz -0.003925 0.007641 0.029893 -0.043492 0.039704 -0.046458 35O 2px 0.057511 -0.046948 0.019078 -0.028281 0.023598 -0.028722 35O 2py 0.012675 -0.018353 -0.047119 0.083172 -0.046569 0.075018 35O 3pz -0.005749 0.007197 0.021023 -0.028596 0.025302 -0.030670 35O 3px 0.033439 -0.026473 0.011805 -0.021417 0.007832 -0.018244 35O 3py 0.004384 -0.009309 -0.030153 0.049513 -0.030899 0.045891 35O 1dz2 -0.000805 0.000686 -0.000418 0.000027 -0.000379 0.000061 35O 1dxz 0.000062 -0.000009 0.000383 -0.000980 0.000668 -0.001063 35O 1dyz 0.000005 0.000046 0.000372 -0.000523 0.000172 -0.000374 35O 1dx2y2 0.001020 -0.000879 0.000475 -0.001047 0.001092 -0.001337 35O 1dxy 0.000807 -0.000766 -0.000789 0.001607 -0.000817 0.001502 35O 2dz2 -0.002417 0.001941 -0.001763 0.001763 -0.001126 0.000977 35O 2dxz -0.000824 0.000745 0.000627 -0.001951 0.001579 -0.002539 35O 2dyz -0.001457 0.001481 0.001474 -0.002005 0.001730 -0.001778 35O 2dx2y2 0.002603 -0.002339 0.000568 -0.002234 0.001772 -0.003075 35O 2dxy 0.001217 -0.001222 -0.002310 0.004616 -0.002801 0.004411 35O 1f0 -0.000148 0.000105 0.000014 0.000189 -0.000125 0.000270 35O 1f+1 -0.000431 0.000391 0.000021 -0.000067 -0.000012 -0.000044 35O 1f-1 -0.000299 0.000268 0.000243 -0.000471 0.000217 -0.000435 35O 1f+2 0.000263 -0.000138 0.000348 -0.000594 0.000410 -0.000603 35O 1f-2 0.000060 -0.000060 0.000252 -0.000408 0.000241 -0.000380 35O 1f+3 -0.000208 0.000086 -0.000539 0.001060 -0.000777 0.001164 35O 1f-3 -0.000540 0.000460 0.000202 -0.000452 0.000288 -0.000475 96 97 98 99 100 101 -0.34665 -0.34247 -0.33804 -0.33597 -0.33076 -0.30719 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s 0.000023 0.001541 -0.000031 0.000573 0.005340 -0.000091 0Rh 2s -0.000109 -0.005969 0.000108 -0.002146 -0.020246 0.000342 0Rh 3s 0.000065 0.005219 -0.000110 0.001987 0.018352 -0.000317 0Rh 4s 0.000475 0.025445 -0.000456 0.009097 0.086073 -0.001456 0Rh 5s -0.000513 -0.020124 0.000314 -0.006475 -0.066152 0.001101 0Rh 6s -0.000242 -0.037713 0.000873 -0.016275 -0.137507 0.002400 0Rh 7s -0.001878 0.027721 -0.001563 0.020740 0.162346 -0.003700 0Rh 8s 0.009891 0.011793 0.000823 0.020197 -0.019733 0.000377 0Rh 1pz 0.000436 0.000164 -0.000128 0.002355 -0.000579 -0.000334 0Rh 1px -0.000103 -0.000755 -0.000041 -0.007190 0.001938 -0.000248 0Rh 1py -0.000248 -0.000602 -0.000056 -0.001157 0.000326 0.000380 0Rh 2pz -0.001475 -0.000556 0.000436 -0.007973 0.001977 0.001131 0Rh 2px 0.000344 0.002557 0.000138 0.024340 -0.006613 0.000838 0Rh 2py 0.000841 0.002042 0.000195 0.003904 -0.001113 -0.001287 0Rh 3pz 0.001172 0.000471 -0.000383 0.006413 -0.001878 -0.000862 0Rh 3px -0.000229 -0.002182 -0.000119 -0.019533 0.006329 -0.000636 0Rh 3py -0.000693 -0.001729 -0.000233 -0.002889 0.001082 0.001017 0Rh 4pz 0.001952 0.000731 -0.000497 0.010392 -0.001521 -0.001723 0Rh 4px -0.000616 -0.003176 -0.000157 -0.031859 0.004907 -0.001217 0Rh 4py -0.001006 -0.002609 -0.000027 -0.006004 0.000737 0.001739 0Rh 5pz -0.000017 -0.000399 -0.000001 -0.000328 -0.001840 0.000700 0Rh 5px 0.000352 0.001495 0.000023 0.001625 0.006332 0.000127 0Rh 5py -0.000168 0.001840 -0.000182 0.002734 0.001478 -0.000050 0Rh 6pz -0.004211 -0.001060 0.001866 0.001031 0.007063 -0.003232 0Rh 6px -0.003626 -0.006797 -0.000397 -0.014893 -0.032345 0.002576 0Rh 6py 0.001651 -0.044138 0.002897 -0.032115 -0.015906 -0.001923 0Rh 1dz2 0.057802 0.021921 0.029969 0.008827 -0.012854 0.021351 0Rh 1dxz 0.026343 0.035578 -0.001573 0.020776 -0.015673 -0.001189 0Rh 1dyz -0.029412 -0.000122 0.072403 -0.002112 -0.003455 0.054264 0Rh 1dx2y2 0.038732 -0.053225 0.009661 -0.033646 0.024572 0.008158 0Rh 1dxy 0.005343 -0.004318 0.027744 0.011746 0.014419 0.018507 0Rh 2dz2 -0.001591 -0.000621 -0.000771 -0.000228 0.000387 -0.000649 0Rh 2dxz -0.000756 -0.001008 0.000028 -0.000568 0.000460 0.000035 0Rh 2dyz 0.000799 -0.000003 -0.001881 0.000062 0.000098 -0.001647 0Rh 2dx2y2 -0.001060 0.001483 -0.000258 0.000904 -0.000710 -0.000240 0Rh 2dxy -0.000148 0.000134 -0.000710 -0.000344 -0.000409 -0.000575 0Rh 3dz2 -0.084036 -0.031523 -0.043321 -0.012705 0.018404 -0.030714 0Rh 3dxz -0.038271 -0.051343 0.002307 -0.030070 0.022503 0.001705 0Rh 3dyz 0.042820 0.000251 -0.104593 0.003124 0.004997 -0.078122 0Rh 3dx2y2 -0.056348 0.076691 -0.013954 0.048663 -0.035242 -0.011802 0Rh 3dxy -0.007795 0.006024 -0.040131 -0.017193 -0.020857 -0.026559 0Rh 4dz2 -0.113128 -0.043152 -0.058913 -0.017281 0.025544 -0.042829 0Rh 4dxz -0.051573 -0.069779 0.003009 -0.040630 0.031024 0.002383 0Rh 4dyz 0.057369 0.000161 -0.142459 0.004029 0.006760 -0.108663 0Rh 4dx2y2 -0.075697 0.104609 -0.019042 0.065870 -0.048713 -0.016189 0Rh 4dxy -0.010414 0.008642 -0.054545 -0.022881 -0.028236 -0.037317 0Rh 5dz2 -0.081076 -0.028874 -0.043047 -0.013597 0.019051 -0.027069 0Rh 5dxz -0.036884 -0.047272 0.002477 -0.030373 0.023771 0.001569 0Rh 5dyz 0.041914 0.000394 -0.103503 0.002837 0.005084 -0.069147 0Rh 5dx2y2 -0.054628 0.070568 -0.013829 0.049328 -0.037012 -0.010850 0Rh 5dxy -0.007393 0.005580 -0.039756 -0.015444 -0.021470 -0.022861 0Rh 1f0 0.000194 0.000180 -0.000684 0.001098 0.001302 -0.001269 0Rh 1f+1 -0.000336 0.000624 0.000892 -0.000566 -0.000838 0.001508 0Rh 1f-1 -0.000027 0.001116 -0.000928 0.000233 0.000088 -0.001618 0Rh 1f+2 -0.000275 0.000307 -0.000589 -0.001320 -0.001662 -0.001125 0Rh 1f-2 0.000167 0.001602 0.001964 0.000209 -0.000174 0.003233 0Rh 1f+3 0.000309 -0.000347 -0.000161 -0.001809 -0.002047 -0.000209 0Rh 1f-3 0.000079 0.002096 -0.001166 -0.000010 -0.000633 -0.001932 1Rh 1s -0.000020 0.001527 -0.000031 -0.000605 0.005339 0.000088 1Rh 2s 0.000099 -0.005914 0.000108 0.002269 -0.020243 -0.000329 1Rh 3s -0.000056 0.005171 -0.000110 -0.002096 0.018350 0.000306 1Rh 4s -0.000430 0.025209 -0.000457 -0.009623 0.086059 0.001401 1Rh 5s 0.000476 -0.019940 0.000314 0.006883 -0.066144 -0.001058 1Rh 6s 0.000179 -0.037323 0.000874 0.017070 -0.137475 -0.002319 1Rh 7s 0.001911 0.027011 -0.001585 -0.021229 0.162250 0.003616 1Rh 8s -0.009847 0.011438 0.000875 -0.020674 -0.019436 -0.000240 1Rh 1pz 0.000453 -0.000103 0.000112 0.002374 0.000592 -0.000295 1Rh 1px -0.000098 0.000589 0.000057 -0.007225 -0.001924 -0.000229 1Rh 1py -0.000245 0.000574 0.000038 -0.001173 -0.000306 0.000372 1Rh 2pz -0.001534 0.000349 -0.000383 -0.008037 -0.002022 0.000999 1Rh 2px 0.000329 -0.001998 -0.000192 0.024461 0.006569 0.000774 1Rh 2py 0.000830 -0.001949 -0.000134 0.003958 0.001045 -0.001260 1Rh 3pz 0.001218 -0.000297 0.000339 0.006463 0.001919 -0.000758 1Rh 3px -0.000218 0.001743 0.000162 -0.019640 -0.006295 -0.000586 1Rh 3py -0.000679 0.001655 0.000183 -0.002931 -0.001032 0.000999 1Rh 4pz 0.002033 -0.000495 0.000430 0.010487 0.001562 -0.001543 1Rh 4px -0.000588 0.002419 0.000229 -0.031984 -0.004849 -0.001132 1Rh 4py -0.001012 0.002483 -0.000054 -0.006081 -0.000632 0.001692 1Rh 5pz -0.000018 0.000479 -0.000000 -0.000403 0.001868 0.000690 1Rh 5px 0.000340 -0.001410 -0.000029 0.001592 -0.006323 0.000127 1Rh 5py -0.000139 -0.001812 0.000184 0.002800 -0.001508 -0.000044 1Rh 6pz -0.004379 0.000041 -0.001817 0.002740 -0.007405 -0.003409 1Rh 6px -0.003645 0.005686 0.000449 -0.014170 0.032202 0.002428 1Rh 6py 0.001636 0.043666 -0.002812 -0.033669 0.016082 -0.001756 1Rh 1dz2 -0.057750 0.021934 0.029872 -0.009475 -0.012743 -0.021415 1Rh 1dxz -0.026249 0.034576 -0.001614 -0.021268 -0.015664 0.001298 1Rh 1dyz 0.029238 -0.000194 0.072355 0.002337 -0.003518 -0.054262 1Rh 1dx2y2 -0.038716 -0.052344 0.009494 0.034996 0.024381 -0.008108 1Rh 1dxy -0.005412 -0.004550 0.027672 -0.011562 0.014426 -0.018530 1Rh 2dz2 0.001592 -0.000621 -0.000769 0.000246 0.000384 0.000651 1Rh 2dxz 0.000752 -0.000981 0.000029 0.000583 0.000460 -0.000038 1Rh 2dyz -0.000795 -0.000002 -0.001881 -0.000068 0.000099 0.001648 1Rh 2dx2y2 0.001060 0.001460 -0.000254 -0.000942 -0.000706 0.000240 1Rh 2dxy 0.000150 0.000142 -0.000708 0.000338 -0.000409 0.000575 1Rh 3dz2 0.083952 -0.031542 -0.043177 0.013640 0.018238 0.030808 1Rh 3dxz 0.038138 -0.049881 0.002366 0.030772 0.022486 -0.001866 1Rh 3dyz -0.042566 0.000356 -0.104518 -0.003453 0.005089 0.078111 1Rh 3dx2y2 0.056323 0.075409 -0.013711 -0.050605 -0.034956 0.011724 1Rh 3dxy 0.007894 0.006358 -0.040026 0.016938 -0.020864 0.026596 1Rh 4dz2 0.113032 -0.043155 -0.058719 0.018546 0.025326 0.042948 1Rh 4dxz 0.051371 -0.067815 0.003087 0.041595 0.030997 -0.002592 1Rh 4dyz -0.057030 0.000303 -0.142354 -0.004468 0.006879 0.108657 1Rh 4dx2y2 0.075659 0.102852 -0.018713 -0.068509 -0.048333 0.016102 1Rh 4dxy 0.010550 0.009095 -0.054400 0.022510 -0.028244 0.037347 1Rh 5dz2 0.081008 -0.028914 -0.042936 0.014472 0.018914 0.027194 1Rh 5dxz 0.036811 -0.045856 0.002532 0.031042 0.023800 -0.001730 1Rh 5dyz -0.041664 0.000511 -0.103505 -0.003147 0.005191 0.069178 1Rh 5dx2y2 0.054633 0.069372 -0.013597 -0.051155 -0.036791 0.010751 1Rh 5dxy 0.007494 0.005877 -0.039685 0.015209 -0.021491 0.022953 1Rh 1f0 0.000183 -0.000150 0.000681 0.001096 -0.001297 -0.001294 1Rh 1f+1 -0.000347 -0.000615 -0.000890 -0.000593 0.000844 0.001488 1Rh 1f-1 -0.000031 -0.001103 0.000935 0.000241 -0.000096 -0.001641 1Rh 1f+2 -0.000277 -0.000351 0.000587 -0.001275 0.001664 -0.001130 1Rh 1f-2 0.000167 -0.001598 -0.001957 0.000248 0.000171 0.003230 1Rh 1f+3 0.000309 0.000318 0.000166 -0.001842 0.002046 -0.000213 1Rh 1f-3 0.000077 -0.002089 0.001164 0.000034 0.000634 -0.001924 2C 1s -0.000055 0.000935 0.004977 0.000278 -0.005380 0.000169 2C 2s -0.000123 0.002084 0.011075 0.000643 -0.011974 0.000387 2C 3s 0.000215 -0.004577 -0.020252 -0.000551 0.022153 -0.000464 2C 4s 0.000422 0.000794 -0.015753 -0.003754 0.016690 -0.001372 2C 5s -0.004403 -0.020437 -0.049958 -0.022939 -0.021161 -0.016929 2C 1pz 0.009062 -0.011285 -0.082447 -0.001919 0.084816 0.010627 2C 1px 0.001788 -0.016952 -0.025720 -0.014365 0.022315 -0.031234 2C 1py -0.012901 -0.012851 -0.052892 -0.006369 0.053167 -0.006335 2C 2pz 0.006804 -0.007577 -0.064338 -0.005152 0.063572 0.008648 2C 2px 0.001428 -0.011646 -0.018952 -0.013337 0.016705 -0.026440 2C 2py -0.009619 -0.008487 -0.040969 -0.006782 0.039446 -0.005785 2C 3pz 0.010993 -0.005414 -0.029501 -0.005848 0.015607 0.002491 2C 3px -0.002410 -0.011267 -0.020566 -0.003920 0.015161 -0.012947 2C 3py -0.017012 -0.007124 -0.018457 -0.006701 0.006500 -0.004036 2C 1dz2 -0.000313 -0.000731 -0.002835 -0.000355 0.002722 -0.000355 2C 1dxz -0.000218 0.000398 -0.001295 0.000460 0.001508 0.001291 2C 1dyz 0.000280 -0.001031 -0.004107 -0.000662 0.003943 -0.000794 2C 1dx2y2 -0.000107 -0.000180 0.001425 -0.000364 -0.001601 -0.001161 2C 1dxy 0.000156 0.000283 -0.000719 0.000244 0.000774 0.000743 2C 2dz2 -0.000560 -0.000321 -0.000922 -0.001473 0.000576 -0.000552 2C 2dxz -0.000476 0.000883 -0.001579 0.000274 0.001160 0.000968 2C 2dyz 0.000336 0.000280 -0.000681 -0.001706 0.000402 -0.000136 2C 2dx2y2 -0.000670 0.000134 0.002534 -0.000276 -0.002041 -0.000298 2C 2dxy 0.000532 0.000910 0.000443 0.000068 -0.000216 0.000952 2C 1f0 -0.000339 -0.000159 -0.000086 -0.000185 0.000065 -0.000168 2C 1f+1 0.000180 0.000092 -0.000514 -0.000080 0.000599 0.000147 2C 1f-1 0.000144 -0.000013 -0.000397 -0.000204 0.000420 -0.000137 2C 1f+2 0.000027 0.000035 0.000285 0.000089 -0.000344 0.000002 2C 1f-2 -0.000184 0.000343 0.000066 0.000049 -0.000021 0.000218 2C 1f+3 -0.000241 0.000039 -0.000265 -0.000037 0.000299 -0.000002 2C 1f-3 -0.000014 -0.000134 -0.000393 -0.000096 0.000442 -0.000168 3C 1s -0.000088 0.001083 -0.004818 -0.000285 -0.005521 0.000210 3C 2s -0.000208 0.002414 -0.010697 -0.000642 -0.012264 0.000446 3C 3s 0.000299 -0.005039 0.019227 0.000161 0.022442 -0.000501 3C 4s 0.000608 0.000155 0.016356 0.005970 0.017827 -0.002423 3C 5s -0.001443 -0.016501 0.046671 0.014129 -0.019087 0.012518 3C 1pz 0.008136 -0.013329 0.039012 0.009148 0.041895 -0.011492 3C 1px 0.006269 0.005061 0.033944 -0.010324 0.039000 0.027538 3C 1py 0.003315 0.022945 -0.082964 -0.010612 -0.088010 0.009933 3C 2pz 0.006520 -0.009069 0.031600 0.009941 0.031751 -0.009593 3C 2px 0.004205 0.004366 0.025845 -0.006917 0.029080 0.022936 3C 2py 0.001533 0.015270 -0.064022 -0.012450 -0.065481 0.008660 3C 3pz 0.006496 -0.003683 0.006010 0.005993 -0.002709 -0.003084 3C 3px 0.014720 0.000112 0.019561 -0.003187 0.015482 0.011801 3C 3py 0.008770 0.010785 -0.034169 -0.009255 -0.021411 0.002705 3C 1dz2 -0.000143 0.000338 -0.000656 -0.000180 -0.000579 0.000287 3C 1dxz 0.000212 -0.001140 0.001469 0.000859 0.001381 -0.001659 3C 1dyz 0.000092 0.000318 -0.003396 0.000092 -0.003570 -0.000778 3C 1dx2y2 -0.000326 0.000418 -0.002681 -0.000242 -0.002910 -0.000006 3C 1dxy 0.000030 0.000868 -0.002224 -0.000487 -0.002261 0.000546 3C 2dz2 -0.000299 0.000051 0.001021 -0.000565 0.001058 0.000458 3C 2dxz -0.000255 -0.001182 0.001282 0.001308 0.000628 -0.000775 3C 2dyz -0.000153 -0.001405 -0.000591 -0.001692 -0.000745 0.000089 3C 2dx2y2 -0.000666 -0.000568 -0.002367 -0.000489 -0.002050 -0.000368 3C 2dxy -0.000113 0.000816 -0.001045 -0.001314 -0.000377 0.000873 3C 1f0 -0.000249 0.000005 -0.000231 -0.000090 -0.000239 -0.000070 3C 1f+1 0.000167 0.000058 0.000217 -0.000021 0.000294 0.000109 3C 1f-1 0.000166 -0.000067 -0.000189 -0.000080 -0.000258 -0.000049 3C 1f+2 0.000030 -0.000252 0.000006 -0.000100 -0.000032 -0.000058 3C 1f-2 -0.000143 0.000113 -0.000276 -0.000216 -0.000293 0.000251 3C 1f+3 -0.000219 -0.000255 0.000482 0.000239 0.000507 -0.000114 3C 1f-3 -0.000134 -0.000232 -0.000547 0.000043 -0.000725 -0.000121 4C 1s -0.000139 0.001768 0.010319 -0.001662 -0.008754 0.000011 4C 2s -0.000282 0.003952 0.022880 -0.003582 -0.019339 0.000032 4C 3s 0.000559 -0.007367 -0.040537 0.003361 0.030351 -0.000566 4C 4s -0.000408 -0.003738 -0.052992 0.028181 0.060315 0.001943 4C 5s -0.002290 0.001059 0.004440 0.011044 0.052762 0.007731 4C 1pz -0.003321 0.007544 0.055203 0.011027 -0.059221 0.014231 4C 1px -0.001534 0.013124 0.011324 0.000678 -0.009272 -0.045350 4C 1py 0.004687 0.010452 0.038122 0.006970 -0.039669 -0.006962 4C 2pz -0.002127 0.007355 0.045332 0.007988 -0.043856 0.003622 4C 2px -0.002539 0.017062 0.008832 0.004490 -0.004256 -0.011438 4C 2py 0.003113 0.011856 0.031372 0.006502 -0.029271 -0.000974 4C 3pz -0.007977 -0.011343 -0.010703 -0.008443 -0.029000 -0.015749 4C 3px -0.000530 -0.000334 0.005987 0.002783 -0.012571 0.029849 4C 3py 0.004045 -0.006719 -0.005066 -0.002793 -0.017623 0.002196 4C 1dz2 -0.003135 -0.001310 -0.007142 0.000498 0.007292 0.004182 4C 1dxz 0.003652 -0.000890 -0.005954 -0.001472 0.006124 -0.007370 4C 1dyz 0.003736 -0.001075 -0.006659 -0.000361 0.006600 0.000263 4C 1dx2y2 0.003877 0.001457 0.008710 0.000358 -0.009009 -0.000503 4C 1dxy -0.007238 0.000380 0.001614 -0.000403 -0.001781 -0.005648 4C 2dz2 -0.004697 -0.004666 -0.011757 0.001459 0.012288 0.003781 4C 2dxz 0.005460 0.000858 -0.010648 -0.002834 0.011763 -0.005777 4C 2dyz 0.005883 -0.002683 -0.010820 0.002162 0.012258 0.000348 4C 2dx2y2 0.005637 0.003524 0.014950 -0.001081 -0.015424 -0.000556 4C 2dxy -0.012184 0.002057 0.002640 -0.000620 -0.002324 -0.004530 4C 1f0 -0.001273 0.000493 -0.000173 0.000460 0.000286 0.002417 4C 1f+1 0.001585 -0.000363 -0.000582 -0.001092 0.000446 -0.002529 4C 1f-1 0.000982 0.000367 0.000587 0.000060 -0.000730 0.000928 4C 1f+2 0.000723 -0.000714 0.000117 0.000003 -0.000210 -0.001417 4C 1f-2 -0.001228 -0.000233 0.000121 -0.000865 -0.000304 -0.003129 4C 1f+3 -0.001723 -0.000668 0.000135 -0.000410 -0.000371 -0.002286 4C 1f-3 -0.000582 -0.000413 -0.000467 -0.000408 0.000379 -0.000274 5C 1s 0.000005 0.002310 -0.009984 0.001819 -0.008955 0.000103 5C 2s 0.000012 0.005148 -0.022131 0.003912 -0.019777 0.000247 5C 3s 0.000602 -0.010107 0.039425 -0.003248 0.031008 -0.000895 5C 4s -0.004095 -0.003155 0.049845 -0.033891 0.061623 0.002676 5C 5s -0.003471 0.002235 -0.005996 -0.007142 0.050792 -0.006818 5C 1pz -0.003361 0.011864 -0.031961 -0.007309 -0.035471 -0.012059 5C 1px -0.001921 -0.007358 -0.021318 -0.005985 -0.026241 0.044435 5C 1py 0.001136 -0.015963 0.053038 0.012397 0.058483 0.004755 5C 2pz -0.002357 0.014483 -0.026300 -0.008073 -0.026047 -0.001939 5C 2px -0.001448 -0.011396 -0.017911 0.000237 -0.021083 0.011115 5C 2py 0.000747 -0.018475 0.043086 0.011248 0.041978 -0.000635 5C 3pz -0.004160 -0.005399 0.008821 0.001218 -0.010961 0.011689 5C 3px -0.008894 0.000176 -0.002754 0.007827 -0.014799 -0.027557 5C 3py 0.001620 0.005660 -0.007177 -0.003168 0.028622 -0.010749 5C 1dz2 -0.004507 -0.000512 0.002423 0.000669 0.002716 -0.002633 5C 1dxz 0.007214 -0.001519 0.006240 -0.000331 0.006749 0.003260 5C 1dyz -0.000255 0.000815 -0.004295 -0.000476 -0.004361 0.003345 5C 1dx2y2 -0.000144 0.002135 -0.010126 -0.001422 -0.010963 0.004652 5C 1dxy 0.005598 0.001311 -0.005340 0.000404 -0.005840 -0.006542 5C 2dz2 -0.006610 0.000151 0.004752 0.002725 0.004905 -0.002432 5C 2dxz 0.011452 -0.006011 0.010885 -0.000948 0.011494 0.001748 5C 2dyz 0.000060 0.000466 -0.006880 0.000873 -0.008779 0.002519 5C 2dx2y2 -0.000530 0.003328 -0.017499 -0.000403 -0.019868 0.004258 5C 2dxy 0.009400 0.005916 -0.008840 0.002304 -0.009874 -0.005052 5C 1f0 -0.001417 -0.000746 0.000550 0.000385 0.000607 -0.000837 5C 1f+1 0.001659 0.000258 0.000435 0.000151 0.000553 0.000331 5C 1f-1 0.000893 0.000022 0.000141 -0.000435 0.000202 0.001272 5C 1f+2 0.000614 0.000391 0.000452 -0.000866 0.000746 0.002690 5C 1f-2 -0.001133 0.000110 -0.000092 -0.000010 0.000007 -0.001310 5C 1f+3 -0.001672 0.000909 0.000215 -0.000193 0.000336 0.002572 5C 1f-3 -0.000457 0.000570 -0.000392 -0.001221 -0.000200 0.002747 6C 1s 0.000008 0.002297 -0.009977 -0.001895 -0.008950 -0.000090 6C 2s 0.000018 0.005119 -0.022116 -0.004082 -0.019765 -0.000218 6C 3s -0.000638 -0.010103 0.039395 0.003595 0.030985 0.000850 6C 4s 0.003919 -0.002781 0.049833 0.033965 0.061603 -0.002797 6C 5s 0.003250 0.002209 -0.006157 0.007145 0.051148 0.007042 6C 1pz -0.003312 -0.011882 0.031874 -0.006852 0.035583 -0.012171 6C 1px -0.001866 0.007171 0.021421 -0.006250 0.026403 0.044483 6C 1py 0.001318 0.016037 -0.053040 0.011810 -0.058509 0.004845 6C 2pz -0.002307 -0.014552 0.026258 -0.007550 0.026131 -0.001986 6C 2px -0.001328 0.011344 0.017941 -0.000204 0.021184 0.011066 6C 2py 0.000876 0.018567 -0.043113 0.010624 -0.041992 -0.000582 6C 3pz -0.003989 0.005098 -0.008726 0.001122 0.010820 0.011801 6C 3px -0.008790 -0.000280 0.002939 0.008265 0.014803 -0.027459 6C 3py 0.001348 -0.005189 0.007127 -0.003192 -0.028235 -0.010937 6C 1dz2 0.004505 -0.000525 0.002429 -0.000648 0.002712 0.002638 6C 1dxz -0.007220 -0.001491 0.006219 0.000386 0.006748 -0.003281 6C 1dyz 0.000259 0.000826 -0.004298 0.000440 -0.004363 -0.003344 6C 1dx2y2 0.000145 0.002161 -0.010128 0.001333 -0.010985 -0.004640 6C 1dxy -0.005572 0.001292 -0.005327 -0.000444 -0.005825 0.006568 6C 2dz2 0.006623 0.000056 0.004748 -0.002720 0.004868 0.002420 6C 2dxz -0.011449 -0.006004 0.010873 0.001161 0.011468 -0.001747 6C 2dyz -0.000052 0.000489 -0.006867 -0.000851 -0.008781 -0.002501 6C 2dx2y2 0.000489 0.003374 -0.017506 0.000294 -0.019856 -0.004226 6C 2dxy -0.009348 0.005892 -0.008852 -0.002573 -0.009849 0.005069 6C 1f0 -0.001415 0.000754 -0.000553 0.000353 -0.000608 -0.000838 6C 1f+1 0.001652 -0.000257 -0.000433 0.000161 -0.000558 0.000332 6C 1f-1 0.000890 -0.000034 -0.000137 -0.000432 -0.000200 0.001275 6C 1f+2 0.000615 -0.000408 -0.000449 -0.000843 -0.000741 0.002698 6C 1f-2 -0.001133 -0.000102 0.000090 -0.000002 -0.000008 -0.001311 6C 1f+3 -0.001675 -0.000916 -0.000214 -0.000163 -0.000331 0.002583 6C 1f-3 -0.000455 -0.000593 0.000394 -0.001193 0.000199 0.002753 7C 1s 0.000128 0.001853 0.010312 0.001638 -0.008737 -0.000013 7C 2s 0.000257 0.004136 0.022864 0.003527 -0.019303 -0.000037 7C 3s -0.000539 -0.007569 -0.040521 -0.003306 0.030302 0.000593 7C 4s 0.000613 -0.005001 -0.052927 -0.027831 0.060164 -0.002015 7C 5s 0.002516 0.000680 0.004229 -0.010567 0.052825 -0.008233 7C 1pz -0.003262 -0.006932 -0.055044 0.011242 0.059138 0.014249 7C 1px -0.001592 -0.013121 -0.011357 0.000669 0.009296 -0.045352 7C 1py 0.004799 -0.010096 -0.038113 0.007153 0.039641 -0.006917 7C 2pz -0.002138 -0.007003 -0.045235 0.008101 0.043769 0.003697 7C 2px -0.002611 -0.016753 -0.008836 0.004517 0.004331 -0.011476 7C 2py 0.003162 -0.011535 -0.031330 0.006629 0.029213 -0.000915 7C 3pz -0.008174 0.010737 0.010844 -0.008851 0.028758 -0.015867 7C 3px -0.000924 0.000521 -0.006154 0.002966 0.012722 0.029673 7C 3py 0.003881 0.006477 0.004930 -0.002976 0.017825 0.001983 7C 1dz2 0.003148 -0.001309 -0.007111 -0.000475 0.007266 -0.004183 7C 1dxz -0.003636 -0.000836 -0.005925 0.001484 0.006088 0.007382 7C 1dyz -0.003714 -0.001059 -0.006661 0.000380 0.006596 -0.000228 7C 1dx2y2 -0.003863 0.001442 0.008704 -0.000385 -0.009010 0.000531 7C 1dxy 0.007213 0.000377 0.001628 0.000398 -0.001785 0.005570 7C 2dz2 0.004699 -0.004734 -0.011711 -0.001405 0.012229 -0.003780 7C 2dxz -0.005464 0.000858 -0.010625 0.002833 0.011678 0.005835 7C 2dyz -0.005863 -0.002780 -0.010828 -0.002135 0.012248 -0.000288 7C 2dx2y2 -0.005573 0.003569 0.014938 0.001062 -0.015429 0.000592 7C 2dxy 0.012168 0.002022 0.002642 0.000696 -0.002334 0.004401 7C 1f0 -0.001270 -0.000484 0.000170 0.000457 -0.000289 0.002409 7C 1f+1 0.001594 0.000328 0.000585 -0.001078 -0.000449 -0.002529 7C 1f-1 0.000976 -0.000373 -0.000586 0.000069 0.000727 0.000919 7C 1f+2 0.000717 0.000719 -0.000112 -0.000001 0.000207 -0.001410 7C 1f-2 -0.001217 0.000216 -0.000117 -0.000863 0.000303 -0.003108 7C 1f+3 -0.001716 0.000657 -0.000136 -0.000410 0.000367 -0.002263 7C 1f-3 -0.000586 0.000395 0.000464 -0.000403 -0.000376 -0.000273 8C 1s 0.000095 0.001083 -0.004812 0.000241 -0.005521 -0.000196 8C 2s 0.000223 0.002414 -0.010685 0.000544 -0.012264 -0.000415 8C 3s -0.000320 -0.005029 0.019211 0.000022 0.022440 0.000444 8C 4s -0.000680 0.000089 0.016306 -0.005873 0.017863 0.002394 8C 5s 0.001255 -0.015767 0.046580 -0.013904 -0.018882 -0.013146 8C 1pz 0.008216 0.013498 -0.039036 0.008637 -0.042091 -0.011457 8C 1px 0.006245 -0.005305 -0.034033 -0.010139 -0.039173 0.027664 8C 1py 0.003181 -0.023047 0.082864 -0.009779 0.087950 0.009804 8C 2pz 0.006584 0.009221 -0.031590 0.009579 -0.031905 -0.009563 8C 2px 0.004210 -0.004579 -0.025880 -0.006789 -0.029198 0.023017 8C 2py 0.001415 -0.015344 0.063956 -0.011869 0.065472 0.008552 8C 3pz 0.006745 0.003641 -0.006090 0.005893 0.002526 -0.003008 8C 3px 0.014589 -0.000192 -0.019829 -0.003180 -0.015811 0.011831 8C 3py 0.008754 -0.010681 0.033973 -0.008952 0.021301 0.002564 8C 1dz2 0.000143 0.000331 -0.000655 0.000158 -0.000581 -0.000265 8C 1dxz -0.000211 -0.001153 0.001471 -0.000813 0.001383 0.001654 8C 1dyz -0.000081 0.000305 -0.003396 -0.000107 -0.003570 0.000798 8C 1dx2y2 0.000324 0.000428 -0.002681 0.000231 -0.002918 -0.000003 8C 1dxy -0.000026 0.000880 -0.002222 0.000459 -0.002265 -0.000555 8C 2dz2 0.000301 0.000040 0.001009 0.000549 0.001033 -0.000461 8C 2dxz 0.000251 -0.001205 0.001289 -0.001260 0.000631 0.000777 8C 2dyz 0.000152 -0.001405 -0.000582 0.001729 -0.000740 -0.000084 8C 2dx2y2 0.000664 -0.000580 -0.002347 0.000515 -0.002055 0.000375 8C 2dxy 0.000130 0.000829 -0.001048 0.001268 -0.000383 -0.000889 8C 1f0 -0.000249 -0.000006 0.000231 -0.000089 0.000240 -0.000070 8C 1f+1 0.000168 -0.000058 -0.000222 -0.000019 -0.000299 0.000109 8C 1f-1 0.000166 0.000064 0.000188 -0.000085 0.000254 -0.000049 8C 1f+2 0.000032 0.000249 -0.000005 -0.000109 0.000034 -0.000060 8C 1f-2 -0.000144 -0.000115 0.000271 -0.000207 0.000288 0.000250 8C 1f+3 -0.000217 0.000256 -0.000486 0.000226 -0.000513 -0.000115 8C 1f-3 -0.000134 0.000237 0.000542 0.000034 0.000723 -0.000124 9C 1s 0.000048 0.000923 0.004968 -0.000296 -0.005369 -0.000176 9C 2s 0.000108 0.002056 0.011054 -0.000683 -0.011950 -0.000402 9C 3s -0.000197 -0.004565 -0.020211 0.000627 0.022104 0.000496 9C 4s -0.000325 0.001026 -0.015745 0.003819 0.016708 0.001352 9C 5s 0.004561 -0.019211 -0.049766 0.023189 -0.021199 0.017588 9C 1pz 0.009041 0.010969 0.081956 -0.002209 -0.084373 0.010493 9C 1px 0.002027 0.016561 0.025682 -0.014387 -0.022236 -0.031066 9C 1py -0.013104 0.012691 0.053358 -0.006564 -0.053597 -0.006286 9C 2pz 0.006761 0.007153 0.063985 -0.005359 -0.063270 0.008544 9C 2px 0.001570 0.011279 0.018931 -0.013337 -0.016655 -0.026285 9C 2py -0.009790 0.008197 0.041272 -0.006918 -0.039780 -0.005719 9C 3pz 0.010912 0.004925 0.029002 -0.005944 -0.015228 0.002246 9C 3px -0.001678 0.011102 0.020676 -0.004021 -0.015310 -0.012817 9C 3py -0.017152 0.006939 0.018956 -0.006827 -0.006936 -0.003970 9C 1dz2 0.000317 -0.000714 -0.002813 0.000363 0.002700 0.000356 9C 1dxz 0.000223 0.000405 -0.001277 -0.000465 0.001495 -0.001308 9C 1dyz -0.000262 -0.001007 -0.004114 0.000672 0.003951 0.000790 9C 1dx2y2 0.000127 -0.000172 0.001439 0.000353 -0.001617 0.001154 9C 1dxy -0.000158 0.000263 -0.000715 -0.000219 0.000768 -0.000690 9C 2dz2 0.000571 -0.000267 -0.000902 0.001458 0.000570 0.000533 9C 2dxz 0.000491 0.000899 -0.001549 -0.000276 0.001135 -0.000959 9C 2dyz -0.000319 0.000378 -0.000678 0.001699 0.000410 0.000121 9C 2dx2y2 0.000688 0.000120 0.002514 0.000261 -0.002029 0.000291 9C 2dxy -0.000515 0.000911 0.000446 -0.000047 -0.000220 -0.000935 9C 1f0 -0.000341 0.000155 0.000082 -0.000180 -0.000060 -0.000160 9C 1f+1 0.000176 -0.000095 0.000510 -0.000085 -0.000593 0.000140 9C 1f-1 0.000141 0.000005 0.000400 -0.000205 -0.000424 -0.000138 9C 1f+2 0.000027 -0.000025 -0.000281 0.000088 0.000341 0.000001 9C 1f-2 -0.000183 -0.000345 -0.000062 0.000048 0.000016 0.000217 9C 1f+3 -0.000242 -0.000045 0.000257 -0.000034 -0.000293 0.000003 9C 1f-3 -0.000016 0.000134 0.000407 -0.000099 -0.000457 -0.000164 10H 1s -0.000081 -0.004810 0.012206 -0.006291 -0.014318 -0.017220 10H 2s 0.000436 -0.007835 0.016504 -0.008771 -0.020001 -0.027453 10H 3s 0.004682 0.003535 0.029007 -0.003810 -0.024513 -0.005877 10H 1pz 0.000568 -0.000805 -0.002056 -0.000433 0.001918 -0.000608 10H 1px 0.000187 0.000288 -0.001580 0.000271 0.001910 0.001599 10H 1py -0.000708 -0.000523 -0.001413 -0.000255 0.001333 -0.000236 11H 1s -0.006508 0.005523 0.016950 0.003849 -0.015893 0.005888 11H 2s -0.009183 0.007877 0.024685 0.006177 -0.021923 0.011309 11H 3s 0.005491 0.004475 0.015012 0.006141 -0.010064 0.005128 11H 1pz -0.000005 -0.000019 -0.001436 0.000187 0.001620 0.000894 11H 1px -0.000815 -0.000123 0.000589 -0.000188 -0.000495 -0.000216 11H 1py 0.000055 -0.000810 -0.003006 -0.000475 0.002931 -0.000690 12H 1s 0.006227 0.008015 0.015499 0.005991 -0.013992 0.011703 12H 2s 0.008452 0.011959 0.022604 0.009306 -0.019630 0.020306 12H 3s -0.009062 0.005069 0.018191 0.006463 -0.014015 0.008067 12H 1pz -0.000235 -0.000737 -0.003374 -0.000289 0.003380 -0.000337 12H 1px 0.000551 -0.000107 -0.000105 -0.000135 0.000185 -0.000007 12H 1py 0.000330 0.000505 0.000061 0.000529 0.000105 0.001290 13H 1s -0.000511 0.010552 -0.012337 -0.009034 -0.011652 0.016275 13H 2s -0.001197 0.015397 -0.017239 -0.013623 -0.016329 0.026713 13H 3s -0.008216 0.011454 -0.027247 -0.005084 -0.022763 0.006376 13H 1pz 0.000473 0.000422 0.000429 -0.000501 0.000456 0.001131 13H 1px 0.000240 -0.000712 0.001810 0.000689 0.001973 -0.001329 13H 1py 0.000399 0.000333 -0.002271 -0.000113 -0.002443 -0.000157 14H 1s -0.004282 -0.002615 -0.013819 0.004029 -0.015942 -0.011234 14H 2s -0.005986 -0.003711 -0.019065 0.005597 -0.021497 -0.019543 14H 3s 0.010797 0.000717 -0.019447 0.001307 -0.017576 -0.006497 14H 1pz -0.000063 -0.000614 0.000387 0.000483 0.000278 -0.000942 14H 1px -0.000456 -0.000206 -0.000121 0.000192 -0.000131 -0.000835 14H 1py -0.000298 0.000686 -0.003085 -0.000229 -0.003344 -0.000207 15H 1s 0.003427 0.002445 -0.016975 0.000628 -0.017606 -0.003281 15H 2s 0.005011 0.003824 -0.024927 0.001252 -0.024562 -0.006845 15H 3s -0.004315 0.001898 -0.012316 -0.000583 -0.008748 -0.003132 15H 1pz -0.000241 -0.000749 0.003090 0.000148 0.003179 0.000078 15H 1px 0.000608 0.000224 0.000824 -0.000320 0.001054 0.000669 15H 1py -0.000110 0.000540 -0.001064 -0.000422 -0.001258 0.000747 16H 1s -0.000010 0.015334 0.000530 0.009455 0.001424 -0.000273 16H 2s -0.002476 0.024033 -0.000232 0.013931 0.000633 0.002727 16H 3s -0.001903 0.001832 0.001704 -0.001079 0.002153 0.004974 16H 1pz 0.000002 0.005530 -0.000166 0.004810 0.001133 -0.000206 16H 1px -0.000150 -0.007858 0.000015 -0.009353 -0.002654 -0.000262 16H 1py -0.000605 -0.009596 -0.000211 -0.009578 -0.002531 -0.000265 17H 1s -0.000036 0.015445 0.000246 0.009566 0.001664 0.000473 17H 2s -0.004219 0.023388 0.000755 0.013322 0.000551 -0.001134 17H 3s -0.003182 0.001869 -0.001598 -0.000782 0.002122 -0.004483 17H 1pz 0.000053 -0.000476 -0.000094 0.001009 0.000493 -0.000237 17H 1px 0.000086 -0.009995 -0.000338 -0.010713 -0.002844 0.000216 17H 1py -0.000653 -0.009188 -0.000098 -0.009357 -0.002502 0.000457 18H 1s 0.000021 0.015168 0.000259 -0.009906 0.001696 -0.000477 18H 2s 0.004372 0.023101 0.000770 -0.013977 0.000603 0.001018 18H 3s 0.003457 0.001877 -0.001552 0.000737 0.002144 0.004321 18H 1pz 0.000066 0.000344 0.000089 0.001162 -0.000535 -0.000234 18H 1px 0.000133 0.009690 0.000357 -0.010901 0.002830 0.000202 18H 1py -0.000636 0.009018 0.000126 -0.009601 0.002511 0.000458 19H 1s 0.000061 0.015060 0.000546 -0.009760 0.001450 0.000244 19H 2s 0.002313 0.023535 -0.000210 -0.014273 0.000630 -0.002858 19H 3s 0.001582 0.001708 0.001674 0.001160 0.002124 -0.004968 19H 1pz 0.000030 -0.005568 0.000149 0.005096 -0.001176 -0.000200 19H 1px -0.000170 0.007593 0.000000 -0.009493 0.002637 -0.000266 19H 1py -0.000598 0.009317 0.000236 -0.009786 0.002537 -0.000251 20H 1s -0.003365 0.002339 -0.016961 -0.000756 -0.017553 0.003439 20H 2s -0.004912 0.003646 -0.024884 -0.001458 -0.024472 0.007137 20H 3s 0.004502 0.001753 -0.012393 0.000507 -0.008803 0.003302 20H 1pz -0.000233 0.000743 -0.003088 0.000115 -0.003180 0.000098 20H 1px 0.000607 -0.000233 -0.000812 -0.000308 -0.001047 0.000661 20H 1py -0.000105 -0.000554 0.001071 -0.000408 0.001267 0.000758 21H 1s 0.004286 -0.002672 -0.013820 -0.003900 -0.016010 0.011201 21H 2s 0.005984 -0.003786 -0.019092 -0.005410 -0.021616 0.019520 21H 3s -0.010781 0.000588 -0.019257 -0.001312 -0.017433 0.006588 21H 1pz -0.000060 0.000624 -0.000377 0.000463 -0.000269 -0.000953 21H 1px -0.000455 0.000201 0.000119 0.000179 0.000130 -0.000822 21H 1py -0.000303 -0.000688 0.003090 -0.000206 0.003352 -0.000211 22H 1s 0.000512 0.010751 -0.012334 0.008657 -0.011682 -0.016329 22H 2s 0.001183 0.015690 -0.017237 0.013051 -0.016376 -0.026783 22H 3s 0.008089 0.011530 -0.027327 0.004721 -0.022886 -0.006327 22H 1pz 0.000479 -0.000429 -0.000437 -0.000479 -0.000467 0.001125 22H 1px 0.000240 0.000730 -0.001812 0.000665 -0.001982 -0.001340 22H 1py 0.000394 -0.000324 0.002261 -0.000096 0.002432 -0.000172 23H 1s -0.006344 0.007786 0.015547 -0.005942 -0.014022 -0.011450 23H 2s -0.008652 0.011602 0.022689 -0.009259 -0.019667 -0.019959 23H 3s 0.008861 0.004746 0.017916 -0.006385 -0.013761 -0.008151 23H 1pz -0.000241 0.000725 0.003376 -0.000298 -0.003380 -0.000328 23H 1px 0.000561 0.000119 0.000124 -0.000149 -0.000203 -0.000041 23H 1py 0.000341 -0.000490 -0.000070 0.000527 -0.000105 0.001278 24H 1s 0.006555 0.005481 0.016914 -0.003991 -0.015848 -0.006095 24H 2s 0.009257 0.007765 0.024586 -0.006385 -0.021828 -0.011669 24H 3s -0.005729 0.004363 0.015156 -0.006245 -0.010186 -0.005230 24H 1pz -0.000007 0.000018 0.001433 0.000186 -0.001614 0.000898 24H 1px -0.000817 0.000109 -0.000599 -0.000171 0.000505 -0.000173 24H 1py 0.000049 0.000795 0.002994 -0.000489 -0.002923 -0.000697 25H 1s 0.000079 -0.004728 0.012125 0.006228 -0.014271 0.017148 25H 2s -0.000408 -0.007729 0.016423 0.008683 -0.019976 0.027338 25H 3s -0.004317 0.003579 0.029036 0.003683 -0.024561 0.005806 25H 1pz 0.000565 0.000792 0.002034 -0.000444 -0.001892 -0.000623 25H 1px 0.000193 -0.000291 0.001570 0.000264 -0.001903 0.001592 25H 1py -0.000717 0.000508 0.001440 -0.000254 -0.001366 -0.000207 26O 1s 0.000060 0.000144 -0.007538 0.000846 0.007818 -0.005972 26O 2s 0.000152 0.000313 -0.018344 0.002062 0.019010 -0.014330 26O 3s -0.000381 0.000129 0.031503 -0.003448 -0.032240 0.022133 26O 4s 0.000453 -0.002349 0.033180 -0.001769 -0.036115 0.035851 26O 5s 0.000978 -0.017983 0.035538 -0.024612 -0.042057 0.006568 26O 1pz 0.063865 -0.031265 -0.098323 -0.026402 0.094342 -0.114836 26O 1px 0.038757 -0.005352 0.002426 0.004317 0.003001 0.111591 26O 1py -0.104432 -0.021706 -0.059427 -0.009216 0.058321 -0.027584 26O 2pz 0.053222 -0.025423 -0.082514 -0.021848 0.079672 -0.097911 26O 2px 0.031892 -0.002037 0.003541 0.004806 0.002352 0.093015 26O 2py -0.087494 -0.016859 -0.049669 -0.007645 0.049433 -0.024480 26O 3pz 0.040285 -0.021607 -0.047444 -0.018994 0.048817 -0.065511 26O 3px 0.023000 0.006827 0.012529 0.015251 -0.002058 0.076073 26O 3py -0.067117 -0.007872 -0.023702 -0.000021 0.028711 -0.011163 26O 1dz2 0.000532 -0.000386 -0.000792 -0.000281 0.000750 0.000548 26O 1dxz -0.000434 0.000279 0.000521 0.000231 -0.000581 0.000663 26O 1dyz -0.000456 -0.000050 -0.000590 -0.000036 0.000366 -0.000075 26O 1dx2y2 -0.000477 0.000337 0.000203 0.000284 -0.000244 -0.001305 26O 1dxy 0.000949 0.000432 0.000393 0.000270 -0.000530 -0.000653 26O 2dz2 0.002135 -0.001543 -0.002657 -0.001736 0.002317 -0.000252 26O 2dxz -0.000679 0.000001 0.001257 0.000673 -0.000986 0.002358 26O 2dyz -0.002048 -0.001340 -0.003584 -0.001093 0.001968 -0.002926 26O 2dx2y2 -0.000200 0.000801 0.000298 0.000320 -0.001182 -0.002883 26O 2dxy 0.002887 0.000064 0.000197 0.000260 -0.001315 -0.001757 26O 1f0 0.000182 -0.000027 0.000186 -0.000167 -0.000219 -0.000157 26O 1f+1 0.000470 -0.000178 -0.000236 -0.000091 0.000085 -0.000811 26O 1f-1 0.000447 -0.000297 -0.000760 -0.000245 0.000203 -0.000919 26O 1f+2 0.000799 0.000185 0.000127 0.000157 0.000064 0.000486 26O 1f-2 0.000151 -0.000228 -0.000607 -0.000014 0.000443 -0.000318 26O 1f+3 -0.000816 -0.000089 -0.000362 -0.000008 0.000186 -0.000327 26O 1f-3 -0.000004 -0.000014 0.000146 -0.000074 -0.000267 -0.000640 27O 1s 0.000131 -0.002716 0.007193 -0.001905 0.007332 0.005618 27O 2s 0.000314 -0.006574 0.017508 -0.004596 0.017841 0.013468 27O 3s -0.000544 0.010721 -0.030138 0.007257 -0.030524 -0.020632 27O 4s -0.000838 0.012407 -0.031153 0.008949 -0.033110 -0.033626 27O 5s 0.006173 0.030328 -0.032045 0.022768 -0.030647 -0.010000 27O 1pz 0.107246 -0.009933 0.060868 -0.024370 0.064329 0.077863 27O 1px 0.024363 0.006769 0.015081 0.023136 0.023032 -0.094942 27O 1py 0.072695 0.008200 -0.089742 0.018379 -0.101094 -0.086003 27O 2pz 0.089623 -0.008279 0.051349 -0.020975 0.054430 0.066101 27O 2px 0.019681 0.003242 0.010756 0.016976 0.017834 -0.078365 27O 2py 0.061131 0.007159 -0.074955 0.016099 -0.084800 -0.073666 27O 3pz 0.067690 0.002628 0.030056 -0.007705 0.035240 0.045368 27O 3px 0.012386 0.009605 -0.005151 0.015110 0.006022 -0.065768 27O 3py 0.045470 -0.003678 -0.042262 0.004510 -0.054740 -0.046555 27O 1dz2 0.000758 0.000136 0.000239 0.000193 0.000472 -0.000736 27O 1dxz -0.000878 -0.000137 -0.000182 0.000248 -0.000288 -0.000643 27O 1dyz -0.000099 0.000221 -0.000882 0.000117 -0.000748 -0.000407 27O 1dx2y2 -0.000144 -0.000028 -0.000747 -0.000494 -0.000926 0.001327 27O 1dxy -0.000697 0.000357 0.000335 -0.000036 0.000706 0.000105 27O 2dz2 0.003033 0.000180 -0.000544 0.000111 0.000562 -0.002129 27O 2dxz -0.002156 -0.000364 -0.000298 0.000620 0.000002 -0.001807 27O 2dyz -0.000565 0.000035 -0.003834 0.000130 -0.002757 -0.003168 27O 2dx2y2 0.000728 0.000352 -0.001886 0.000012 -0.002813 0.001778 27O 2dxy -0.002190 0.000268 -0.000069 -0.000703 0.000680 0.000308 27O 1f0 -0.000544 0.000121 -0.000644 0.000153 -0.000317 -0.000501 27O 1f+1 0.000326 -0.000076 -0.000053 -0.000148 -0.000147 0.000572 27O 1f-1 -0.000655 0.000014 -0.000063 0.000003 0.000041 -0.000177 27O 1f+2 0.000580 0.000077 -0.000341 -0.000030 -0.000109 -0.000386 27O 1f-2 -0.000655 0.000204 -0.000466 0.000221 -0.000290 -0.000644 27O 1f+3 -0.000701 -0.000210 0.000530 -0.000225 0.000233 0.000986 27O 1f-3 -0.000220 0.000075 0.000267 0.000068 0.000397 -0.000425 28O 1s 0.000252 -0.002119 -0.007416 0.001756 0.007148 0.005952 28O 2s 0.000608 -0.005128 -0.018059 0.004231 0.017397 0.014274 28O 3s -0.000929 0.008336 0.031265 -0.006607 -0.029878 -0.021908 28O 4s -0.001979 0.009363 0.030571 -0.008619 -0.031298 -0.035483 28O 5s 0.001805 0.029969 0.041875 -0.020359 -0.035005 -0.009773 28O 1pz -0.071313 -0.003089 -0.083333 0.011010 0.091217 0.032322 28O 1px -0.044483 -0.009708 -0.039472 0.034457 0.035353 0.139172 28O 1py 0.120034 -0.003362 -0.065676 0.013041 0.069034 0.074961 28O 2pz -0.059668 -0.004222 -0.068865 0.011278 0.075830 0.028870 28O 2px -0.037397 -0.006246 -0.034451 0.027476 0.030900 0.116092 28O 2py 0.100788 -0.002837 -0.055123 0.011038 0.058415 0.063812 28O 3pz -0.043935 0.008107 -0.035578 -0.001102 0.048724 0.011785 28O 3px -0.026820 -0.003130 -0.029317 0.017726 0.025406 0.090830 28O 3py 0.072630 0.001304 -0.032409 0.004923 0.037017 0.042775 28O 1dz2 0.000306 -0.000269 0.000021 -0.000114 -0.000275 -0.000427 28O 1dxz -0.000541 0.000159 -0.000792 -0.000287 0.001078 -0.000993 28O 1dyz -0.000531 -0.000277 -0.000588 0.000012 0.000282 0.000173 28O 1dx2y2 -0.000730 0.000006 0.000106 0.000445 -0.000181 0.001269 28O 1dxy 0.001142 0.000086 -0.000684 0.000121 0.000755 0.000546 28O 2dz2 -0.000105 -0.000172 -0.000504 -0.000662 0.000071 -0.000237 28O 2dxz -0.002366 -0.000105 -0.001734 0.000325 0.002702 -0.001192 28O 2dyz -0.000805 -0.000175 -0.003142 0.000067 0.001938 0.002406 28O 2dx2y2 -0.003150 0.000602 -0.000240 0.000128 -0.000577 0.002906 28O 2dxy 0.003292 0.000067 -0.002291 0.000592 0.001724 0.002629 28O 1f0 -0.001134 -0.000098 -0.000301 0.000188 0.000201 0.000418 28O 1f+1 0.000535 -0.000047 0.000264 -0.000007 -0.000352 0.000452 28O 1f-1 0.000106 -0.000185 -0.000932 0.000178 0.000507 0.000850 28O 1f+2 -0.000429 0.000181 0.000459 -0.000245 -0.000112 -0.001020 28O 1f-2 -0.000889 -0.000024 -0.000057 0.000056 -0.000136 0.000320 28O 1f+3 -0.000131 0.000016 0.000058 -0.000045 -0.000038 -0.000146 28O 1f-3 -0.000428 -0.000098 0.000167 0.000110 -0.000131 0.000201 29O 1s 0.000070 0.009678 0.000201 0.006799 0.001378 0.000069 29O 2s 0.000149 0.023290 0.000483 0.016297 0.003257 0.000176 29O 3s -0.000067 -0.035752 -0.000742 -0.024022 -0.004132 -0.000390 29O 4s -0.001841 -0.059396 -0.001258 -0.047886 -0.014699 0.000233 29O 5s 0.007594 -0.037581 -0.000366 -0.010359 0.011369 -0.002589 29O 1pz 0.002320 0.039909 0.000062 0.053293 0.016845 0.002453 29O 1px -0.007362 -0.165677 -0.002426 -0.199198 -0.058991 0.002749 29O 1py -0.006666 -0.232013 -0.004162 -0.221277 -0.056913 0.000936 29O 2pz 0.001945 0.034039 -0.000510 0.044902 0.014079 0.001618 29O 2px -0.006063 -0.139613 -0.002198 -0.167090 -0.049578 0.002052 29O 2py -0.005714 -0.192539 -0.003376 -0.184133 -0.048095 0.000792 29O 3pz 0.002143 0.030111 0.000417 0.039989 0.014642 0.005797 29O 3px -0.002941 -0.116643 -0.001510 -0.143196 -0.047764 0.003612 29O 3py -0.007871 -0.148523 -0.003191 -0.147425 -0.038818 0.001005 29O 1dz2 -0.000032 -0.000453 -0.000015 -0.000399 -0.000063 0.000004 29O 1dxz -0.000007 0.000608 -0.000007 0.000760 0.000313 0.000002 29O 1dyz 0.000008 0.000256 -0.000027 0.000128 0.000021 0.000009 29O 1dx2y2 -0.000063 -0.002441 -0.000046 -0.002655 -0.000865 0.000021 29O 1dxy 0.000069 0.000077 -0.000026 0.000436 0.000148 -0.000015 29O 2dz2 -0.000536 -0.004996 0.000010 -0.004613 -0.001287 -0.000011 29O 2dxz 0.000062 0.001065 -0.000073 0.001606 0.000338 0.000087 29O 2dyz 0.000103 0.000333 0.000087 -0.000347 -0.000299 0.000051 29O 2dx2y2 -0.000881 -0.009798 -0.000243 -0.009879 -0.002233 0.000170 29O 2dxy -0.000029 0.003343 0.000039 0.004970 0.001693 -0.000028 29O 1f0 -0.000062 0.000735 -0.000015 0.000915 0.000290 0.000025 29O 1f+1 0.000037 -0.001047 -0.000018 -0.001179 -0.000349 0.000043 29O 1f-1 -0.000048 -0.001306 -0.000062 -0.001304 -0.000366 0.000024 29O 1f+2 0.000024 -0.000137 0.000006 -0.000249 -0.000109 -0.000010 29O 1f-2 -0.000112 -0.001034 0.000033 -0.001102 -0.000336 -0.000018 29O 1f+3 -0.000011 0.001410 0.000015 0.001324 0.000328 0.000012 29O 1f-3 -0.000045 -0.000707 -0.000039 -0.000934 -0.000314 0.000019 30O 1s 0.000008 -0.000034 0.007287 -0.001013 0.007963 -0.005765 30O 2s 0.000038 -0.000130 0.017735 -0.002468 0.019367 -0.013843 30O 3s -0.000314 0.001090 -0.030540 0.004076 -0.032988 0.021531 30O 4s 0.000809 -0.002383 -0.030961 0.002405 -0.035388 0.033816 30O 5s -0.000287 -0.022296 -0.040226 0.031426 -0.049473 0.005555 30O 1pz -0.114518 -0.021069 0.046939 0.014668 0.050741 -0.006866 30O 1px -0.020994 -0.014874 0.055968 0.016971 0.052673 -0.146755 30O 1py -0.081423 0.036687 -0.083456 -0.018417 -0.087149 0.051949 30O 2pz -0.096024 -0.015498 0.038973 0.011037 0.043077 -0.006915 30O 2px -0.017437 -0.014755 0.048067 0.015404 0.044609 -0.123580 30O 2py -0.068012 0.028175 -0.069228 -0.014564 -0.073627 0.044820 30O 3pz -0.071334 -0.009452 0.017738 0.004507 0.023648 0.002664 30O 3px -0.011659 -0.021690 0.036406 0.025288 0.030034 -0.095761 30O 3py -0.049305 0.017530 -0.037389 -0.005473 -0.044428 0.025061 30O 1dz2 0.000537 0.000031 -0.000317 -0.000058 -0.000251 0.000665 30O 1dxz -0.001084 -0.000432 0.000440 0.000381 0.000504 0.000841 30O 1dyz 0.000157 -0.000276 -0.000247 0.000216 -0.000000 0.000412 30O 1dx2y2 -0.000140 0.000020 0.000084 -0.000078 0.000163 -0.001052 30O 1dxy -0.000963 0.000619 -0.000894 -0.000429 -0.000953 -0.000453 30O 2dz2 0.000367 0.000424 -0.001669 -0.000514 -0.000827 0.002604 30O 2dxz -0.003915 -0.001035 0.001225 0.001217 0.001774 0.001152 30O 2dyz 0.000820 0.001288 -0.002421 -0.001023 -0.000619 0.003056 30O 2dx2y2 -0.001144 0.000573 0.000089 0.000083 -0.000194 -0.002297 30O 2dxy -0.002517 0.001221 -0.002995 -0.001411 -0.002959 0.000929 30O 1f0 -0.000368 0.000179 -0.000451 -0.000083 -0.000250 0.000107 30O 1f+1 0.000579 -0.000020 -0.000229 0.000047 -0.000176 0.000009 30O 1f-1 0.001312 0.000143 -0.000306 -0.000051 -0.000254 0.000138 30O 1f+2 -0.000202 0.000374 -0.000866 -0.000104 -0.000494 0.000773 30O 1f-2 0.000005 0.000151 -0.000173 -0.000241 0.000200 0.000808 30O 1f+3 -0.000357 -0.000144 0.000025 0.000214 -0.000164 -0.000475 30O 1f-3 -0.000059 0.000207 -0.000280 -0.000040 -0.000141 0.000700 31O 1s -0.000013 -0.000050 0.007293 0.001011 0.007972 0.005773 31O 2s -0.000049 -0.000168 0.017749 0.002462 0.019390 0.013864 31O 3s 0.000338 0.001165 -0.030562 -0.004082 -0.033023 -0.021568 31O 4s -0.000811 -0.002351 -0.030990 -0.002391 -0.035448 -0.033834 31O 5s 0.000425 -0.022360 -0.040203 -0.030164 -0.049668 -0.005622 31O 1pz -0.114224 0.021334 -0.047042 0.013838 -0.050589 -0.006748 31O 1px -0.021108 0.015563 -0.056198 0.016360 -0.052834 -0.146997 31O 1py -0.081356 -0.036927 0.083315 -0.016997 0.087338 0.051905 31O 2pz -0.095783 0.015709 -0.039047 0.010456 -0.042954 -0.006801 31O 2px -0.017520 0.015323 -0.048261 0.014768 -0.044742 -0.123782 31O 2py -0.067947 -0.028394 0.069115 -0.013511 0.073795 0.044784 31O 3pz -0.071159 0.009481 -0.017841 0.003984 -0.023632 0.002706 31O 3px -0.011794 0.022397 -0.036607 0.024494 -0.030079 -0.095974 31O 3py -0.049281 -0.017347 0.037270 -0.004371 0.044609 0.024981 31O 1dz2 -0.000535 0.000037 -0.000319 0.000058 -0.000249 -0.000666 31O 1dxz 0.001079 -0.000433 0.000439 -0.000366 0.000502 -0.000844 31O 1dyz -0.000158 -0.000276 -0.000248 -0.000204 -0.000002 -0.000413 31O 1dx2y2 0.000142 0.000020 0.000084 0.000082 0.000163 0.001053 31O 1dxy 0.000964 0.000620 -0.000890 0.000405 -0.000955 0.000454 31O 2dz2 -0.000365 0.000430 -0.001682 0.000492 -0.000829 -0.002609 31O 2dxz 0.003899 -0.001063 0.001224 -0.001191 0.001769 -0.001168 31O 2dyz -0.000829 0.001308 -0.002427 0.000976 -0.000617 -0.003048 31O 2dx2y2 0.001159 0.000557 0.000090 -0.000102 -0.000196 0.002298 31O 2dxy 0.002511 0.001238 -0.002992 0.001359 -0.002976 -0.000921 31O 1f0 -0.000368 -0.000181 0.000451 -0.000077 0.000251 0.000106 31O 1f+1 0.000576 0.000022 0.000230 0.000047 0.000175 0.000009 31O 1f-1 0.001310 -0.000145 0.000308 -0.000047 0.000252 0.000137 31O 1f+2 -0.000202 -0.000378 0.000867 -0.000091 0.000495 0.000773 31O 1f-2 0.000006 -0.000158 0.000175 -0.000237 -0.000199 0.000809 31O 1f+3 -0.000356 0.000148 -0.000027 0.000210 0.000164 -0.000476 31O 1f-3 -0.000059 -0.000210 0.000282 -0.000033 0.000142 0.000702 32O 1s -0.000060 0.009491 0.000214 -0.007011 0.001396 -0.000078 32O 2s -0.000125 0.022838 0.000515 -0.016804 0.003299 -0.000197 32O 3s 0.000032 -0.035051 -0.000790 0.024771 -0.004195 0.000427 32O 4s 0.001762 -0.058215 -0.001346 0.049308 -0.014825 -0.000210 32O 5s -0.007551 -0.037128 -0.000386 0.011050 0.011324 0.002817 32O 1pz 0.002552 -0.043101 -0.000263 0.058534 -0.017837 0.002389 32O 1px -0.007108 0.159595 0.002832 -0.201848 0.058597 0.002702 32O 1py -0.006426 0.226852 0.004632 -0.226901 0.057101 0.000950 32O 2pz 0.002147 -0.036688 0.000336 0.049313 -0.014929 0.001569 32O 2px -0.005847 0.134548 0.002531 -0.169353 0.049247 0.002017 32O 2py -0.005513 0.188251 0.003786 -0.188815 0.048253 0.000795 32O 3pz 0.002697 -0.031736 -0.000550 0.043165 -0.015226 0.005770 32O 3px -0.002645 0.112486 0.001816 -0.145276 0.047541 0.003484 32O 3py -0.007684 0.145042 0.003487 -0.150982 0.038936 0.001202 32O 1dz2 0.000032 -0.000438 -0.000016 0.000398 -0.000059 -0.000005 32O 1dxz 0.000009 0.000575 -0.000006 -0.000751 0.000305 -0.000003 32O 1dyz -0.000007 0.000170 -0.000028 -0.000046 -0.000001 -0.000011 32O 1dx2y2 0.000062 -0.002387 -0.000051 0.002725 -0.000869 -0.000019 32O 1dxy -0.000068 0.000034 -0.000026 -0.000404 0.000137 0.000015 32O 2dz2 0.000545 -0.004875 -0.000008 0.004695 -0.001274 0.000002 32O 2dxz -0.000079 0.000936 -0.000074 -0.001502 0.000297 -0.000085 32O 2dyz -0.000048 0.000005 0.000082 0.000664 -0.000375 -0.000050 32O 2dx2y2 0.000861 -0.009614 -0.000270 0.010173 -0.002253 -0.000181 32O 2dxy 0.000047 0.003146 0.000046 -0.004980 0.001672 0.000017 32O 1f0 -0.000056 -0.000768 0.000011 0.000988 -0.000304 0.000026 32O 1f+1 0.000046 0.000984 0.000020 -0.001167 0.000338 0.000040 32O 1f-1 -0.000046 0.001263 0.000065 -0.001318 0.000362 0.000025 32O 1f+2 0.000024 0.000101 -0.000006 -0.000224 0.000101 -0.000011 32O 1f-2 -0.000113 0.001060 -0.000030 -0.001186 0.000353 -0.000016 32O 1f+3 -0.000013 -0.001370 -0.000019 0.001351 -0.000328 0.000012 32O 1f-3 -0.000043 0.000657 0.000041 -0.000919 0.000304 0.000020 33O 1s -0.000238 -0.002208 -0.007420 -0.001749 0.007142 -0.005953 33O 2s -0.000572 -0.005344 -0.018068 -0.004214 0.017383 -0.014276 33O 3s 0.000869 0.008696 0.031279 0.006587 -0.029848 0.021906 33O 4s 0.001908 0.009708 0.030574 0.008563 -0.031290 0.035516 33O 5s -0.001989 0.030799 0.042026 0.020062 -0.035118 0.009903 33O 1pz -0.071574 0.003219 0.082851 0.010582 -0.090838 0.032617 33O 1px -0.044347 0.010925 0.039350 0.034252 -0.035226 0.139099 33O 1py 0.119592 0.003565 0.065883 0.012832 -0.069165 0.073563 33O 2pz -0.059899 0.004390 0.068463 0.010918 -0.075526 0.029125 33O 2px -0.037273 0.007221 0.034346 0.027307 -0.030786 0.116025 33O 2py 0.100418 0.003037 0.055284 0.010886 -0.058508 0.062627 33O 3pz -0.044023 -0.008410 0.035336 -0.001400 -0.048540 0.012077 33O 3px -0.026705 0.003836 0.029207 0.017792 -0.025248 0.090692 33O 3py 0.072324 -0.001499 0.032580 0.004550 -0.037188 0.041936 33O 1dz2 -0.000306 -0.000263 0.000019 0.000116 -0.000270 0.000431 33O 1dxz 0.000546 0.000176 -0.000786 0.000292 0.001075 0.000991 33O 1dyz 0.000528 -0.000280 -0.000587 -0.000011 0.000280 -0.000182 33O 1dx2y2 0.000726 -0.000012 0.000107 -0.000445 -0.000182 -0.001270 33O 1dxy -0.001141 0.000085 -0.000686 -0.000119 0.000757 -0.000531 33O 2dz2 0.000104 -0.000157 -0.000504 0.000661 0.000072 0.000251 33O 2dxz 0.002393 -0.000078 -0.001715 -0.000295 0.002699 0.001173 33O 2dyz 0.000805 -0.000160 -0.003133 -0.000052 0.001931 -0.002409 33O 2dx2y2 0.003138 0.000562 -0.000236 -0.000170 -0.000590 -0.002922 33O 2dxy -0.003280 0.000067 -0.002295 -0.000577 0.001734 -0.002579 33O 1f0 -0.001132 0.000106 0.000296 0.000186 -0.000198 0.000423 33O 1f+1 0.000537 0.000047 -0.000261 -0.000007 0.000349 0.000444 33O 1f-1 0.000100 0.000189 0.000933 0.000173 -0.000507 0.000846 33O 1f+2 -0.000432 -0.000189 -0.000461 -0.000242 0.000112 -0.001016 33O 1f-2 -0.000885 0.000025 0.000055 0.000056 0.000137 0.000329 33O 1f+3 -0.000132 -0.000020 -0.000059 -0.000046 0.000038 -0.000146 33O 1f-3 -0.000429 0.000101 -0.000168 0.000108 0.000132 0.000207 34O 1s -0.000147 -0.002678 0.007171 0.002005 0.007316 -0.005646 34O 2s -0.000354 -0.006484 0.017455 0.004838 0.017803 -0.013535 34O 3s 0.000611 0.010597 -0.030049 -0.007667 -0.030461 0.020746 34O 4s 0.000896 0.012114 -0.031067 -0.009346 -0.033059 0.033736 34O 5s -0.005728 0.030113 -0.031779 -0.024014 -0.030573 0.010193 34O 1pz 0.107365 0.009239 -0.060526 -0.024622 -0.064101 0.078201 34O 1px 0.024288 -0.006292 -0.015263 0.023301 -0.023286 -0.095118 34O 1py 0.072462 -0.007836 0.089653 0.018617 0.101058 -0.086392 34O 2pz 0.089726 0.007676 -0.051056 -0.021189 -0.054236 0.066380 34O 2px 0.019661 -0.002881 -0.010901 0.016998 -0.018040 -0.078522 34O 2py 0.060920 -0.006858 0.074880 0.016344 0.084761 -0.073992 34O 3pz 0.067695 -0.002919 -0.029872 -0.007570 -0.035139 0.045582 34O 3px 0.012397 -0.009337 0.005048 0.015529 -0.006251 -0.065894 34O 3py 0.045373 0.003977 0.042165 0.004040 0.054776 -0.046710 34O 1dz2 -0.000757 0.000135 0.000239 -0.000199 0.000476 0.000737 34O 1dxz 0.000880 -0.000141 -0.000180 -0.000243 -0.000283 0.000646 34O 1dyz 0.000100 0.000216 -0.000880 -0.000124 -0.000749 0.000410 34O 1dx2y2 0.000144 -0.000020 -0.000750 0.000494 -0.000930 -0.001327 34O 1dxy 0.000698 0.000357 0.000336 0.000024 0.000709 -0.000108 34O 2dz2 -0.003032 0.000173 -0.000548 -0.000110 0.000562 0.002137 34O 2dxz 0.002164 -0.000378 -0.000292 -0.000614 0.000014 0.001817 34O 2dyz 0.000575 0.000017 -0.003824 -0.000130 -0.002755 0.003165 34O 2dx2y2 -0.000711 0.000332 -0.001895 -0.000011 -0.002829 -0.001782 34O 2dxy 0.002183 0.000283 -0.000071 0.000690 0.000685 -0.000316 34O 1f0 -0.000545 -0.000115 0.000642 0.000156 0.000315 -0.000502 34O 1f+1 0.000325 0.000072 0.000055 -0.000149 0.000148 0.000573 34O 1f-1 -0.000654 -0.000013 0.000062 0.000004 -0.000041 -0.000177 34O 1f+2 0.000580 -0.000076 0.000341 -0.000028 0.000111 -0.000385 34O 1f-2 -0.000658 -0.000198 0.000463 0.000226 0.000288 -0.000646 34O 1f+3 -0.000700 0.000206 -0.000528 -0.000230 -0.000231 0.000988 34O 1f-3 -0.000219 -0.000071 -0.000267 0.000069 -0.000399 -0.000426 35O 1s -0.000056 0.000094 -0.007529 -0.000829 0.007804 0.005974 35O 2s -0.000140 0.000191 -0.018323 -0.002021 0.018976 0.014336 35O 3s 0.000354 0.000332 0.031463 0.003371 -0.032177 -0.022147 35O 4s -0.000428 -0.002227 0.033158 0.001745 -0.036086 -0.035831 35O 5s -0.001436 -0.016590 0.035453 0.024099 -0.041779 -0.006635 35O 1pz 0.063682 0.030548 0.098108 -0.026607 -0.093899 -0.114973 35O 1px 0.038664 0.005157 -0.002393 0.004341 -0.003003 0.110969 35O 1py -0.103897 0.021618 0.059409 -0.009488 -0.058486 -0.026481 35O 2pz 0.053052 0.024832 0.082340 -0.022033 -0.079301 -0.098029 35O 2px 0.031793 0.001962 -0.003506 0.004786 -0.002342 0.092502 35O 2py -0.087058 0.016817 0.049648 -0.007894 -0.049547 -0.023541 35O 3pz 0.040207 0.021004 0.047232 -0.018997 -0.048497 -0.065481 35O 3px 0.022787 -0.006391 -0.012494 0.015256 0.002107 0.075694 35O 3py -0.066816 0.007882 0.023671 0.000121 -0.028859 -0.010411 35O 1dz2 -0.000532 -0.000371 -0.000793 0.000282 0.000751 -0.000545 35O 1dxz 0.000432 0.000275 0.000520 -0.000231 -0.000577 -0.000666 35O 1dyz 0.000456 -0.000050 -0.000592 0.000041 0.000368 0.000076 35O 1dx2y2 0.000475 0.000321 0.000203 -0.000288 -0.000244 0.001292 35O 1dxy -0.000941 0.000421 0.000393 -0.000271 -0.000534 0.000665 35O 2dz2 -0.002131 -0.001500 -0.002655 0.001767 0.002306 0.000257 35O 2dxz 0.000676 -0.000013 0.001252 -0.000666 -0.000976 -0.002367 35O 2dyz 0.002043 -0.001290 -0.003580 0.001092 0.001972 0.002902 35O 2dx2y2 0.000190 0.000786 0.000304 -0.000342 -0.001181 0.002860 35O 2dxy -0.002875 0.000069 0.000204 -0.000266 -0.001324 0.001793 35O 1f0 0.000182 0.000021 -0.000185 -0.000169 0.000218 -0.000156 35O 1f+1 0.000469 0.000176 0.000235 -0.000093 -0.000082 -0.000811 35O 1f-1 0.000446 0.000288 0.000760 -0.000248 -0.000202 -0.000923 35O 1f+2 0.000796 -0.000181 -0.000129 0.000160 -0.000061 0.000480 35O 1f-2 0.000152 0.000229 0.000605 -0.000016 -0.000441 -0.000319 35O 1f+3 -0.000812 0.000093 0.000362 -0.000008 -0.000187 -0.000318 35O 1f-3 -0.000006 0.000011 -0.000146 -0.000075 0.000267 -0.000642 102 103 104 105 106 107 -0.30261 -0.30239 -0.30115 -0.30101 -0.30045 -0.28698 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s -0.000543 0.000995 -0.000029 0.000125 -0.003035 0.000052 0Rh 2s 0.002032 -0.003740 0.000120 -0.000467 0.011454 -0.000204 0Rh 3s -0.001882 0.003441 -0.000096 0.000436 -0.010470 0.000175 0Rh 4s -0.008639 0.015909 -0.000517 0.001983 -0.048745 0.000871 0Rh 5s 0.006489 -0.012011 0.000471 -0.001440 0.037006 -0.000681 0Rh 6s 0.014433 -0.026422 0.000577 -0.003518 0.080355 -0.001427 0Rh 7s -0.024211 0.045029 -0.000802 0.004616 -0.126280 0.001632 0Rh 8s 0.024378 -0.032011 0.003665 0.003230 0.055095 0.003348 0Rh 1pz 0.013881 0.003189 -0.004395 0.004941 -0.000794 0.007444 0Rh 1px 0.003101 0.004776 -0.002220 0.000675 -0.000926 0.002220 0Rh 1py 0.003533 -0.013014 0.004366 0.004983 -0.006169 0.000187 0Rh 2pz -0.046990 -0.010799 0.014868 -0.016714 0.002711 -0.025227 0Rh 2px -0.010512 -0.016150 0.007513 -0.002276 0.003068 -0.007523 0Rh 2py -0.011964 0.044067 -0.014765 -0.016862 0.020880 -0.000632 0Rh 3pz 0.037067 0.008579 -0.011578 0.012992 -0.002488 0.020199 0Rh 3px 0.008515 0.012480 -0.005895 0.001637 -0.001351 0.006028 0Rh 3py 0.009502 -0.034928 0.011414 0.013164 -0.016393 0.000481 0Rh 4pz 0.064637 0.014735 -0.020701 0.023361 -0.002759 0.034505 0Rh 4px 0.013883 0.022902 -0.010278 0.003653 -0.007287 0.010309 0Rh 4py 0.016278 -0.060149 0.020820 0.023373 -0.028967 0.000979 0Rh 5pz -0.006782 -0.001881 0.000606 -0.000853 0.000247 -0.006145 0Rh 5px -0.001517 -0.002167 -0.000164 -0.000897 0.001635 -0.001913 0Rh 5py -0.001636 0.006031 -0.000793 -0.000575 0.002804 -0.000465 0Rh 6pz -0.050105 -0.002891 0.036047 -0.037679 -0.016188 0.048123 0Rh 6px -0.000833 -0.035280 0.021338 -0.003029 0.054937 0.015362 0Rh 6py -0.010193 0.044960 -0.035945 -0.040256 0.035925 0.004415 0Rh 1dz2 0.041871 0.006001 -0.006494 0.008409 0.007051 0.023684 0Rh 1dxz -0.062213 -0.019345 0.009104 -0.012283 0.020285 -0.039927 0Rh 1dyz -0.006421 -0.024038 0.005697 0.000861 -0.003957 -0.007104 0Rh 1dx2y2 -0.021365 -0.021013 0.005407 0.000912 -0.027051 -0.014333 0Rh 1dxy -0.024276 0.069104 -0.010318 -0.011968 0.012170 -0.004075 0Rh 2dz2 -0.001168 -0.000124 0.000126 -0.000184 -0.000245 -0.000726 0Rh 2dxz 0.001743 0.000584 -0.000181 0.000263 -0.000656 0.001246 0Rh 2dyz 0.000185 0.000693 -0.000120 -0.000004 0.000104 0.000230 0Rh 2dx2y2 0.000629 0.000533 -0.000085 -0.000021 0.000855 0.000449 0Rh 2dxy 0.000707 -0.001987 0.000215 0.000238 -0.000299 0.000146 0Rh 3dz2 -0.061309 -0.008989 0.009732 -0.012526 -0.009977 -0.034573 0Rh 3dxz 0.091396 0.028137 -0.013642 0.018348 -0.029227 0.058353 0Rh 3dyz 0.009383 0.035234 -0.008519 -0.001345 0.005876 0.010332 0Rh 3dx2y2 0.031092 0.031149 -0.008188 -0.001350 0.038905 0.020886 0Rh 3dxy 0.035524 -0.101214 0.015433 0.017958 -0.018171 0.005888 0Rh 4dz2 -0.081640 -0.011216 0.012032 -0.015766 -0.014712 -0.046591 0Rh 4dxz 0.120533 0.038190 -0.016819 0.022897 -0.040970 0.078390 0Rh 4dyz 0.012629 0.046758 -0.010593 -0.001421 0.007468 0.014113 0Rh 4dx2y2 0.042094 0.039962 -0.009762 -0.001778 0.054761 0.028267 0Rh 4dxy 0.047405 -0.134664 0.019138 0.022069 -0.022827 0.008196 0Rh 5dz2 -0.058521 -0.010011 0.011148 -0.013712 -0.007239 -0.031801 0Rh 5dxz 0.089049 0.025562 -0.015619 0.020455 -0.024075 0.054156 0Rh 5dyz 0.008771 0.033430 -0.009470 -0.001949 0.006228 0.009234 0Rh 5dx2y2 0.028708 0.032513 -0.009982 -0.001306 0.032112 0.019034 0Rh 5dxy 0.033574 -0.096731 0.017543 0.020628 -0.019620 0.004848 0Rh 1f0 0.001240 0.004057 0.003633 -0.000454 -0.000721 0.001742 0Rh 1f+1 0.001158 0.000486 0.002779 -0.002306 0.001353 -0.001318 0Rh 1f-1 -0.004742 0.002145 -0.000051 0.002892 0.002220 -0.005919 0Rh 1f+2 0.003240 0.002253 0.001900 0.001292 0.002753 0.006218 0Rh 1f-2 -0.000943 0.002298 -0.000509 0.000991 0.001892 0.000068 0Rh 1f+3 -0.001179 -0.001959 0.000773 0.000887 0.002511 -0.003276 0Rh 1f-3 0.001153 -0.001239 -0.001848 -0.003128 0.001033 0.000553 1Rh 1s 0.000546 -0.000995 0.000116 -0.000041 0.003052 0.000054 1Rh 2s -0.002043 0.003742 -0.000429 0.000159 -0.011516 -0.000211 1Rh 3s 0.001892 -0.003443 0.000406 -0.000137 0.010528 0.000181 1Rh 4s 0.008687 -0.015917 0.001820 -0.000680 0.049007 0.000899 1Rh 5s -0.006525 0.012017 -0.001306 0.000574 -0.037204 -0.000704 1Rh 6s -0.014511 0.026439 -0.003262 0.000899 -0.080796 -0.001471 1Rh 7s 0.024128 -0.045140 0.005036 -0.002349 0.126789 0.001773 1Rh 8s -0.024037 0.032149 0.001598 0.006373 -0.054988 0.002883 1Rh 1pz 0.013912 0.003070 0.004386 -0.004849 -0.001288 -0.007445 1Rh 1px 0.003090 0.004738 0.002254 -0.000638 -0.001118 -0.002240 1Rh 1py 0.003548 -0.012961 -0.004925 -0.004544 -0.006188 -0.000170 1Rh 2pz -0.047095 -0.010396 -0.014838 0.016402 0.004380 0.025233 1Rh 2px -0.010474 -0.016024 -0.007632 0.002155 0.003717 0.007592 1Rh 2py -0.012016 0.043887 0.016658 0.015374 0.020946 0.000575 1Rh 3pz 0.037149 0.008266 0.011536 -0.012726 -0.003784 -0.020204 1Rh 3px 0.008486 0.012380 0.006041 -0.001603 -0.001855 -0.006082 1Rh 3py 0.009544 -0.034789 -0.012907 -0.011993 -0.016451 -0.000436 1Rh 4pz 0.064775 0.014172 0.020712 -0.022989 -0.005092 -0.034510 1Rh 4px 0.013825 0.022735 0.010297 -0.003302 -0.008204 -0.010404 1Rh 4py 0.016343 -0.059889 -0.023423 -0.021316 -0.029031 -0.000901 1Rh 5pz -0.006777 -0.001850 -0.000633 0.000832 0.000331 0.006148 1Rh 5px -0.001510 -0.002177 0.000209 0.000781 0.001696 0.001922 1Rh 5py -0.001633 0.006009 0.001040 0.000379 0.002753 0.000460 1Rh 6pz -0.050394 -0.002194 -0.036612 0.038210 -0.012541 -0.048095 1Rh 6px -0.000775 -0.034958 -0.019033 0.000363 0.056089 -0.015332 1Rh 6py -0.010311 0.044609 0.038707 0.037838 0.036487 -0.004489 1Rh 1dz2 -0.041702 -0.005893 -0.006612 0.008647 -0.006119 0.023608 1Rh 1dxz 0.062355 0.019026 0.008299 -0.011063 -0.021406 -0.039915 1Rh 1dyz 0.006501 0.023847 0.006472 0.000517 0.003642 -0.007230 1Rh 1dx2y2 0.021164 0.020851 0.007321 -0.000686 0.026503 -0.014190 1Rh 1dxy 0.024281 -0.068926 -0.012109 -0.010763 -0.012242 -0.004136 1Rh 2dz2 0.001163 0.000122 0.000132 -0.000194 0.000225 -0.000724 1Rh 2dxz -0.001747 -0.000577 -0.000155 0.000225 0.000679 0.001246 1Rh 2dyz -0.000188 -0.000689 -0.000142 0.000004 -0.000096 0.000235 1Rh 2dx2y2 -0.000623 -0.000529 -0.000143 0.000028 -0.000844 0.000444 1Rh 2dxy -0.000706 0.001983 0.000264 0.000206 0.000299 0.000148 1Rh 3dz2 0.061065 0.008825 0.009888 -0.012855 0.008585 -0.034464 1Rh 3dxz -0.091606 -0.027661 -0.012486 0.016582 0.030903 0.058334 1Rh 3dyz -0.009499 -0.034953 -0.009652 -0.000835 -0.005409 0.010511 1Rh 3dx2y2 -0.030799 -0.030909 -0.010957 0.000954 -0.038085 0.020678 1Rh 3dxy -0.035535 0.100949 0.018077 0.016174 0.018285 0.005977 1Rh 4dz2 0.081298 0.011020 0.012309 -0.016285 0.012962 -0.046438 1Rh 4dxz -0.120797 -0.037591 -0.015184 0.020453 0.043039 0.078367 1Rh 4dyz -0.012788 -0.046392 -0.012101 -0.000775 -0.006869 0.014374 1Rh 4dx2y2 -0.041692 -0.039655 -0.013589 0.001440 -0.053723 0.027979 1Rh 4dxy -0.047406 0.134319 0.022577 0.019765 0.022946 0.008316 1Rh 5dz2 0.058311 0.009807 0.011175 -0.013885 0.005748 -0.031713 1Rh 5dxz -0.089272 -0.025047 -0.014701 0.018928 0.026020 0.054140 1Rh 5dyz -0.008883 -0.033138 -0.010555 -0.001365 -0.005729 0.009344 1Rh 5dx2y2 -0.028457 -0.032247 -0.012385 0.000666 -0.031289 0.018856 1Rh 5dxy -0.033614 0.096462 0.020200 0.018833 0.019770 0.004923 1Rh 1f0 0.001239 0.004120 -0.003586 0.000473 -0.000503 -0.001748 1Rh 1f+1 0.001142 0.000553 -0.002701 0.002220 0.001627 0.001320 1Rh 1f-1 -0.004737 0.002135 0.000211 -0.003038 0.002039 0.005911 1Rh 1f+2 0.003240 0.002272 -0.001708 -0.001453 0.002750 -0.006231 1Rh 1f-2 -0.000948 0.002282 0.000626 -0.001109 0.001790 -0.000068 1Rh 1f+3 -0.001182 -0.001943 -0.000676 -0.001024 0.002493 0.003277 1Rh 1f-3 0.001135 -0.001256 0.001892 0.003078 0.001108 -0.000552 2C 1s -0.008217 0.002418 0.000070 -0.000187 0.002746 -0.000155 2C 2s -0.018326 0.005388 0.000159 -0.000439 0.006128 -0.000329 2C 3s 0.034083 -0.010268 -0.000291 0.001169 -0.011339 -0.000112 2C 4s 0.022035 -0.004878 -0.000013 -0.001457 -0.007412 0.004180 2C 5s 0.065024 -0.015808 -0.000377 0.018898 -0.029520 0.011191 2C 1pz 0.102543 -0.041672 0.005463 -0.004594 -0.023939 -0.013858 2C 1px 0.019132 -0.002442 -0.003944 0.021499 -0.039447 0.043415 2C 1py 0.070827 -0.004409 -0.008759 0.002099 -0.021838 0.006255 2C 2pz 0.080855 -0.033142 0.003451 -0.003154 -0.018050 -0.010799 2C 2px 0.015443 -0.001780 -0.002938 0.016510 -0.033785 0.036540 2C 2py 0.055503 -0.000653 -0.005695 0.002114 -0.016776 0.006909 2C 3pz 0.043590 -0.014074 0.017105 0.004361 -0.011034 -0.001581 2C 3px 0.015698 -0.004075 -0.006782 0.003244 -0.014694 0.022820 2C 3py 0.028007 -0.005528 -0.023094 -0.003470 -0.009748 0.000266 2C 1dz2 0.003297 -0.000150 -0.000282 0.000158 -0.001146 0.000996 2C 1dxz 0.002284 -0.000092 0.000271 -0.000948 0.001171 -0.002856 2C 1dyz 0.004120 -0.001386 0.000126 0.000690 -0.002239 0.001273 2C 1dx2y2 -0.001785 0.001534 0.000104 0.000772 -0.000397 0.001706 2C 1dxy 0.000620 -0.001253 -0.000267 -0.000526 0.000353 -0.001856 2C 2dz2 0.001381 0.001164 -0.000857 0.001519 -0.000674 0.001601 2C 2dxz 0.001601 0.000021 0.000640 -0.002982 0.001628 -0.002976 2C 2dyz 0.001582 -0.000448 0.000455 0.000632 -0.000841 0.001507 2C 2dx2y2 -0.002340 0.001691 0.000147 0.000236 0.000488 0.001526 2C 2dxy 0.000077 -0.001212 -0.000363 -0.002208 0.001136 -0.002835 2C 1f0 0.000147 0.000303 -0.000392 0.000249 -0.000246 0.000689 2C 1f+1 0.000782 -0.000281 0.000278 -0.000230 0.000010 -0.000524 2C 1f-1 0.000482 -0.000062 0.000135 0.000169 -0.000283 0.000396 2C 1f+2 -0.000464 0.000205 0.000130 -0.000090 0.000241 -0.000216 2C 1f-2 0.000066 -0.000048 -0.000133 -0.000561 0.000438 -0.000990 2C 1f+3 0.000277 -0.000045 -0.000282 -0.000137 -0.000002 -0.000305 2C 1f-3 0.000513 -0.000162 -0.000108 0.000228 -0.000418 0.000366 3C 1s -0.003098 -0.008157 -0.000046 0.000056 -0.002300 -0.000141 3C 2s -0.006892 -0.018177 -0.000080 0.000130 -0.005105 -0.000317 3C 3s 0.012810 0.033768 -0.000350 -0.000194 0.009420 0.000652 3C 4s 0.007727 0.021104 0.002615 -0.000258 0.006602 -0.000209 3C 5s 0.023889 0.068327 -0.015042 0.002362 -0.002771 0.000209 3C 1pz 0.008690 0.053147 0.007426 -0.004120 0.028929 -0.007510 3C 1px 0.006806 0.055128 -0.018590 -0.006793 -0.017927 0.030173 3C 1py -0.049389 -0.098404 -0.005192 -0.003734 -0.033410 0.006292 3C 2pz 0.004696 0.040981 0.005542 -0.002719 0.023177 -0.006946 3C 2px 0.004425 0.044661 -0.014054 -0.003759 -0.016224 0.023536 3C 2py -0.039545 -0.076218 -0.003887 -0.001787 -0.025635 0.004914 3C 3pz 0.005193 0.017403 -0.000168 -0.008694 0.004917 -0.001982 3C 3px 0.006698 0.025043 0.000273 -0.022225 -0.004477 0.026386 3C 3py -0.019452 -0.046415 0.001288 -0.014249 -0.011533 0.009644 3C 1dz2 -0.000161 -0.000529 -0.000207 0.000244 -0.000543 0.000398 3C 1dxz 0.001592 0.000783 0.001273 -0.000428 0.002093 -0.001697 3C 1dyz -0.002048 -0.003780 0.000588 -0.000022 0.000312 -0.001253 3C 1dx2y2 -0.000148 -0.003555 0.000087 0.000057 -0.000997 -0.000499 3C 1dxy -0.000662 -0.002467 -0.000284 -0.000244 -0.001467 0.001148 3C 2dz2 0.000716 0.000998 -0.001226 0.000680 -0.000505 0.000277 3C 2dxz 0.001476 0.000325 0.001953 -0.000325 0.001364 -0.001436 3C 2dyz -0.001424 -0.002020 0.001284 0.000381 0.000694 -0.001127 3C 2dx2y2 0.000664 -0.002748 0.001616 0.000431 -0.000027 -0.000671 3C 2dxy -0.000113 -0.000366 -0.002387 -0.001194 -0.001594 0.002076 3C 1f0 0.000055 -0.000227 -0.000005 0.000263 0.000015 -0.000130 3C 1f+1 0.000181 0.000428 -0.000110 -0.000274 -0.000110 0.000297 3C 1f-1 -0.000308 -0.000274 0.000193 -0.000167 0.000141 -0.000202 3C 1f+2 0.000053 -0.000107 0.000206 -0.000053 0.000183 -0.000311 3C 1f-2 -0.000275 -0.000297 -0.000372 0.000155 -0.000389 0.000338 3C 1f+3 0.000336 0.000568 0.000241 0.000349 0.000404 -0.000522 3C 1f-3 -0.000143 -0.000921 0.000416 0.000199 0.000132 -0.000619 4C 1s -0.002145 0.000720 -0.000010 0.000022 0.001142 0.000017 4C 2s -0.004876 0.001617 0.000011 0.000056 0.002554 0.000041 4C 3s 0.007629 -0.002364 0.000090 0.000166 -0.004312 0.000515 4C 4s -0.001089 -0.000960 -0.001825 -0.001719 -0.002972 -0.002801 4C 5s -0.037976 0.015800 -0.002808 -0.011977 0.019269 -0.009727 4C 1pz -0.075778 0.035959 0.001076 -0.007856 0.037914 -0.000634 4C 1px -0.019202 0.023296 -0.003238 0.016944 -0.022040 0.002318 4C 1py -0.067032 -0.006713 0.000904 0.004424 0.003758 -0.000060 4C 2pz -0.063895 0.029838 -0.000187 -0.001208 0.029989 0.005868 4C 2px -0.013735 0.017874 -0.000648 -0.002628 -0.013111 -0.016475 4C 2py -0.054798 -0.002465 0.000189 0.000003 0.005165 -0.003070 4C 3pz -0.026660 0.011639 -0.004651 0.001469 0.002771 0.017556 4C 3px -0.011213 0.005833 0.005236 -0.002383 0.017219 -0.032865 4C 3py -0.019007 0.006812 0.009005 0.004946 0.007190 -0.000578 4C 1dz2 0.010733 -0.002773 -0.004159 -0.003292 0.001213 -0.005442 4C 1dxz 0.007017 0.000429 0.005216 0.005448 -0.008898 0.008866 4C 1dyz 0.008286 -0.003318 0.005481 0.001032 -0.002764 0.001024 4C 1dx2y2 -0.011482 0.004494 0.006710 0.001423 0.003384 0.002148 4C 1dxy -0.003282 0.002393 -0.012056 0.001091 -0.004114 0.003145 4C 2dz2 0.015087 -0.009142 -0.007615 -0.001905 0.000014 -0.005626 4C 2dxz 0.011479 -0.002308 0.010796 0.003060 -0.013861 0.008368 4C 2dyz 0.014235 -0.003394 0.010017 0.001766 -0.003939 0.001438 4C 2dx2y2 -0.019956 0.004893 0.012546 0.001935 0.004970 0.003678 4C 2dxy -0.005111 0.003430 -0.022065 -0.003408 -0.005548 -0.000197 4C 1f0 0.000878 -0.001279 -0.001848 -0.002083 0.002055 -0.003840 4C 1f+1 0.000521 0.000041 0.001923 0.002235 -0.002875 0.003904 4C 1f-1 -0.000291 -0.000169 0.001618 -0.000249 0.001181 -0.000648 4C 1f+2 -0.000970 0.000536 0.000934 0.001380 -0.000993 0.002575 4C 1f-2 -0.000688 0.001545 -0.001999 0.001657 -0.002928 0.003661 4C 1f+3 -0.000858 0.000384 -0.003134 0.001314 -0.001963 0.002899 4C 1f-3 0.001222 0.000242 -0.000792 0.000291 -0.000096 0.000657 5C 1s -0.000743 -0.002165 -0.000001 -0.000014 -0.001175 -0.000086 5C 2s -0.001685 -0.004891 -0.000009 -0.000037 -0.002629 -0.000171 5C 3s 0.002624 0.007638 0.000348 0.000186 0.004278 0.000470 5C 4s -0.001307 -0.001324 -0.002666 -0.001104 0.003569 -0.001102 5C 5s -0.018298 -0.044362 0.003547 -0.005998 -0.001300 -0.005304 5C 1pz 0.008245 -0.061027 0.006112 0.001478 -0.010762 -0.000108 5C 1px -0.012591 -0.019724 -0.018184 -0.001633 -0.040996 0.001365 5C 1py 0.046776 0.078097 -0.001283 -0.000891 0.010626 0.000900 5C 2pz 0.004161 -0.049886 -0.000872 -0.000089 -0.010759 0.003493 5C 2px -0.012518 -0.019599 0.001936 -0.000207 -0.027390 -0.011383 5C 2py 0.037715 0.065199 0.002027 0.000313 0.010548 -0.000755 5C 3pz -0.003696 -0.011606 -0.001794 0.003311 -0.013424 0.005048 5C 3px -0.006747 -0.019059 -0.000691 0.007832 0.004901 -0.028112 5C 3py 0.012574 0.027195 0.006830 0.002182 0.019539 -0.002220 5C 1dz2 0.002973 0.002056 0.000311 0.007137 0.003369 -0.004540 5C 1dxz 0.003164 0.009558 0.000016 -0.011598 -0.001693 0.007174 5C 1dyz -0.003374 -0.003795 -0.002021 0.000265 -0.004410 0.001972 5C 1dx2y2 -0.005039 -0.012404 -0.002539 -0.000633 -0.008343 0.003013 5C 1dxy -0.001376 -0.010311 0.005593 -0.008614 0.004042 -0.001169 5C 2dz2 0.000817 0.005771 -0.001642 0.012759 0.006328 -0.005977 5C 2dxz 0.003440 0.016244 0.004192 -0.021000 -0.000340 0.010329 5C 2dyz -0.003315 -0.007533 -0.000435 0.001153 -0.007129 0.001171 5C 2dx2y2 -0.011894 -0.020388 -0.000641 -0.001255 -0.012659 0.001987 5C 2dxy -0.002510 -0.016228 0.003275 -0.017060 0.004422 0.002305 5C 1f0 0.000193 0.000710 0.000383 0.002354 0.001085 -0.001830 5C 1f+1 -0.000270 0.001144 -0.000080 -0.002292 0.000118 0.001438 5C 1f-1 -0.000170 0.000688 -0.000587 -0.001481 -0.001468 0.001606 5C 1f+2 0.000089 0.001435 -0.001799 -0.001220 -0.002785 0.003065 5C 1f-2 0.000215 -0.001263 0.000352 0.001672 0.001671 -0.001601 5C 1f+3 -0.000109 0.001814 -0.002500 0.002569 -0.002396 0.001714 5C 1f-3 -0.001495 0.000399 -0.002077 0.000427 -0.002871 0.002232 6C 1s 0.000746 0.002171 0.000105 -0.000089 0.001164 -0.000105 6C 2s 0.001692 0.004903 0.000228 -0.000205 0.002605 -0.000211 6C 3s -0.002642 -0.007636 -0.000025 0.000459 -0.004271 0.000526 6C 4s 0.001322 0.001143 -0.002946 -0.000938 -0.003324 -0.000902 6C 5s 0.018063 0.044120 0.004417 -0.006446 0.000650 -0.005329 6C 1pz 0.008313 -0.061004 -0.007696 -0.000477 -0.010394 0.000144 6C 1px -0.012524 -0.020001 0.015406 0.004057 -0.041653 -0.001279 6C 1py 0.046813 0.078095 0.003133 -0.000031 0.010402 -0.000948 6C 2pz 0.004218 -0.049953 -0.000589 0.000994 -0.010714 -0.003442 6C 2px -0.012479 -0.019567 -0.003751 0.001940 -0.027124 0.011344 6C 2py 0.037776 0.065235 -0.000346 -0.001156 0.010498 0.000679 6C 3pz -0.003733 -0.011592 0.001056 -0.002588 -0.013735 -0.004899 6C 3px -0.006746 -0.019271 0.000768 -0.007970 0.004238 0.027954 6C 3py 0.012533 0.027158 -0.005456 -0.003513 0.019798 0.002199 6C 1dz2 -0.002995 -0.002013 0.000068 0.007332 -0.002961 -0.004564 6C 1dxz -0.003130 -0.009627 -0.000018 -0.011626 0.001045 0.007221 6C 1dyz 0.003371 0.003830 -0.001703 -0.000002 0.004511 0.001959 6C 1dx2y2 0.005036 0.012452 -0.001849 -0.001172 0.008390 0.002989 6C 1dxy 0.001401 0.010160 0.005539 -0.008413 -0.004852 -0.001146 6C 2dz2 -0.000848 -0.005636 -0.002103 0.013169 -0.005478 -0.006028 6C 2dxz -0.003384 -0.016435 0.003964 -0.020913 -0.001079 0.010426 6C 2dyz 0.003311 0.007561 0.000095 0.000693 0.007166 0.001152 6C 2dx2y2 0.011901 0.020396 0.000389 -0.002102 0.012547 0.001969 6C 2dxy 0.002566 0.016094 0.003349 -0.016804 -0.005588 0.002304 6C 1f0 0.000201 0.000705 -0.000302 -0.002414 0.000967 0.001833 6C 1f+1 -0.000280 0.001157 0.000097 0.002272 0.000245 -0.001441 6C 1f-1 -0.000175 0.000685 0.000512 0.001557 -0.001413 -0.001609 6C 1f+2 0.000087 0.001411 0.001659 0.001365 -0.002809 -0.003066 6C 1f-2 0.000220 -0.001265 -0.000273 -0.001760 0.001589 0.001604 6C 1f+3 -0.000103 0.001752 0.002392 -0.002442 -0.002678 -0.001701 6C 1f-3 -0.001493 0.000365 0.001919 -0.000265 -0.003001 -0.002230 7C 1s 0.002166 -0.000728 -0.000083 0.000103 -0.001140 0.000022 7C 2s 0.004923 -0.001637 -0.000153 0.000236 -0.002552 0.000053 7C 3s -0.007718 0.002381 0.000372 -0.000128 0.004310 0.000532 7C 4s 0.000987 0.001131 -0.001733 -0.001921 0.003022 -0.003035 7C 5s 0.037768 -0.015560 -0.004291 -0.010886 -0.019804 -0.010051 7C 1pz -0.075758 0.036097 0.001615 0.005231 0.038400 0.000653 7C 1px -0.019105 0.023137 0.002728 -0.015861 -0.023077 -0.002446 7C 1py -0.067222 -0.006607 -0.000768 -0.004797 0.003742 0.000063 7C 2pz -0.063884 0.029812 0.002372 -0.000844 0.030000 -0.005837 7C 2px -0.013747 0.017855 0.000342 0.003159 -0.012860 0.016488 7C 2py -0.054962 -0.002430 0.000068 -0.000454 0.005324 0.003117 7C 3pz -0.026362 0.011684 0.005184 -0.002052 0.002538 -0.017543 7C 3px -0.011444 0.006009 -0.003659 0.001403 0.017535 0.033007 7C 3py -0.019107 0.007092 -0.008426 -0.005703 0.007453 0.000611 7C 1dz2 -0.010715 0.002820 -0.004140 -0.003273 -0.001162 -0.005435 7C 1dxz -0.007017 -0.000483 0.005640 0.004921 0.008905 0.008859 7C 1dyz -0.008308 0.003228 0.005673 0.000829 0.002539 0.000996 7C 1dx2y2 0.011519 -0.004619 0.006405 0.001681 -0.003671 0.002126 7C 1dxy 0.003269 -0.002175 -0.011873 0.000872 0.004791 0.003209 7C 2dz2 -0.015092 0.009234 -0.007415 -0.002034 0.000340 -0.005576 7C 2dxz -0.011470 0.002124 0.011565 0.002250 0.013409 0.008357 7C 2dyz -0.014275 0.003227 0.010268 0.001484 0.003543 0.001391 7C 2dx2y2 0.020006 -0.005110 0.012100 0.002336 -0.005563 0.003593 7C 2dxy 0.005094 -0.003055 -0.021807 -0.003694 0.006464 -0.000112 7C 1f0 0.000869 -0.001293 0.001915 0.001971 0.002061 0.003829 7C 1f+1 0.000528 0.000057 -0.002068 -0.002069 -0.002891 -0.003906 7C 1f-1 -0.000296 -0.000140 -0.001552 0.000183 0.001277 0.000659 7C 1f+2 -0.000958 0.000540 -0.000958 -0.001324 -0.001018 -0.002567 7C 1f-2 -0.000674 0.001494 0.001871 -0.001500 -0.003118 -0.003680 7C 1f+3 -0.000850 0.000319 0.003044 -0.001202 -0.002200 -0.002922 7C 1f-3 0.001224 0.000229 0.000798 -0.000281 -0.000162 -0.000667 8C 1s 0.003094 0.008159 0.000221 -0.000112 0.002277 -0.000157 8C 2s 0.006885 0.018181 0.000515 -0.000244 0.005053 -0.000351 8C 3s -0.012801 -0.033777 -0.001460 0.000501 -0.009297 0.000715 8C 4s -0.007694 -0.021108 0.001934 0.000184 -0.006672 -0.000162 8C 5s -0.023756 -0.068109 -0.016502 0.002628 0.004200 0.000283 8C 1pz 0.008658 0.053390 -0.004935 0.002323 0.029420 0.007370 8C 1px 0.006818 0.054975 0.018443 0.007465 -0.018594 -0.030202 8C 1py -0.049384 -0.098425 0.001645 0.006127 -0.033117 -0.006181 8C 2pz 0.004654 0.041149 -0.003574 0.001248 0.023519 0.006874 8C 2px 0.004435 0.044538 0.013841 0.004439 -0.016796 -0.023566 8C 2py -0.039516 -0.076199 0.001164 0.003616 -0.025454 -0.004832 8C 3pz 0.005207 0.017510 0.000650 0.008785 0.005366 0.001698 8C 3px 0.006687 0.025369 -0.000075 0.021988 -0.003173 -0.026278 8C 3py -0.019417 -0.046209 -0.002833 0.015293 -0.010416 -0.009710 8C 1dz2 0.000156 0.000544 -0.000154 0.000211 0.000542 0.000375 8C 1dxz -0.001608 -0.000807 0.001136 -0.000304 -0.002168 -0.001686 8C 1dyz 0.002038 0.003777 0.000642 -0.000018 -0.000369 -0.001270 8C 1dx2y2 0.000155 0.003549 0.000193 -0.000021 0.000998 -0.000490 8C 1dxy 0.000658 0.002471 -0.000168 -0.000341 0.001478 0.001158 8C 2dz2 -0.000724 -0.000948 -0.001206 0.000665 0.000608 0.000256 8C 2dxz -0.001494 -0.000360 0.001871 -0.000246 -0.001477 -0.001428 8C 2dyz 0.001409 0.001972 0.001276 0.000403 -0.000755 -0.001132 8C 2dx2y2 -0.000667 0.002713 0.001647 0.000410 -0.000033 -0.000660 8C 2dxy 0.000105 0.000394 -0.002291 -0.001272 0.001662 0.002094 8C 1f0 0.000056 -0.000228 0.000006 -0.000262 -0.000003 0.000129 8C 1f+1 0.000180 0.000432 0.000111 0.000277 -0.000100 -0.000299 8C 1f-1 -0.000309 -0.000265 -0.000191 0.000161 0.000164 0.000201 8C 1f+2 0.000051 -0.000104 -0.000197 0.000045 0.000198 0.000310 8C 1f-2 -0.000272 -0.000299 0.000346 -0.000132 -0.000414 -0.000337 8C 1f+3 0.000339 0.000575 -0.000206 -0.000373 0.000395 0.000521 8C 1f-3 -0.000138 -0.000910 -0.000424 -0.000201 0.000148 0.000622 9C 1s 0.008227 -0.002422 -0.000124 0.000010 -0.002768 -0.000156 9C 2s 0.018350 -0.005398 -0.000272 -0.000001 -0.006177 -0.000331 9C 3s -0.034133 0.010283 0.000508 0.000364 0.011454 -0.000122 9C 4s -0.022053 0.004934 0.000504 -0.002026 0.007323 0.004218 9C 5s -0.065170 0.015682 0.001230 0.017546 0.030678 0.011260 9C 1pz 0.102266 -0.041528 -0.007670 0.006502 -0.023390 0.013915 9C 1px 0.019178 -0.002675 0.001740 -0.019163 -0.040738 -0.043518 9C 1py 0.071521 -0.004831 0.007567 -0.000548 -0.022654 -0.006251 9C 2pz 0.080599 -0.033082 -0.005156 0.004613 -0.017680 0.010836 9C 2px 0.015494 -0.001982 0.001146 -0.014508 -0.034745 -0.036570 9C 2py 0.056072 -0.001005 0.004810 -0.000946 -0.017353 -0.006871 9C 3pz 0.043302 -0.013648 -0.017920 -0.003669 -0.010310 0.001656 9C 3px 0.015861 -0.004248 0.004688 -0.002521 -0.015137 -0.023172 9C 3py 0.028467 -0.006003 0.022622 0.004188 -0.010881 -0.000344 9C 1dz2 -0.003280 0.000156 -0.000220 0.000083 0.001171 0.001002 9C 1dxz -0.002272 0.000093 0.000225 -0.000905 -0.001263 -0.002900 9C 1dyz -0.004153 0.001373 0.000263 0.000535 0.002265 0.001267 9C 1dx2y2 0.001789 -0.001569 0.000078 0.000758 0.000413 0.001704 9C 1dxy -0.000608 0.001230 -0.000256 -0.000483 -0.000320 -0.001786 9C 2dz2 -0.001391 -0.001122 -0.000853 0.001474 0.000806 0.001593 9C 2dxz -0.001580 -0.000040 0.000577 -0.002889 -0.001847 -0.003017 9C 2dyz -0.001569 0.000431 0.000504 0.000572 0.000827 0.001500 9C 2dx2y2 0.002306 -0.001718 0.000068 0.000278 -0.000486 0.001528 9C 2dxy -0.000040 0.001178 -0.000393 -0.002137 -0.001232 -0.002767 9C 1f0 0.000149 0.000295 0.000386 -0.000231 -0.000276 -0.000682 9C 1f+1 0.000775 -0.000270 -0.000281 0.000229 0.000034 0.000516 9C 1f-1 0.000486 -0.000063 -0.000149 -0.000152 -0.000289 -0.000401 9C 1f+2 -0.000459 0.000206 -0.000111 0.000070 0.000249 0.000214 9C 1f-2 0.000070 -0.000050 0.000149 0.000539 0.000463 0.000994 9C 1f+3 0.000273 -0.000046 0.000279 0.000145 0.000000 0.000316 9C 1f-3 0.000529 -0.000167 0.000085 -0.000203 -0.000438 -0.000367 10H 1s -0.019620 0.008877 -0.002047 0.011841 -0.012596 0.026427 10H 2s -0.031126 0.013916 -0.002446 0.018156 -0.019441 0.041338 10H 3s -0.034612 0.011738 0.007527 0.006672 0.000719 0.016329 10H 1pz 0.002408 -0.000944 0.000435 0.000611 -0.001344 0.000671 10H 1px 0.002522 -0.001098 0.000386 -0.000883 0.000795 -0.002067 10H 1py 0.001963 -0.000024 -0.000613 0.000063 -0.000543 0.000085 11H 1s -0.012180 0.012234 -0.001543 -0.005537 0.013948 -0.009901 11H 2s -0.017515 0.017850 -0.001586 -0.008770 0.022443 -0.016944 11H 3s -0.021708 0.014859 0.015070 -0.004456 0.015960 -0.001515 11H 1pz 0.002542 -0.000875 0.000356 -0.000450 0.000037 -0.001035 11H 1px 0.000053 0.000635 -0.000705 0.000104 -0.000073 0.000252 11H 1py 0.003103 -0.000991 0.000060 0.000423 -0.001732 0.001117 12H 1s -0.016812 -0.006831 0.004001 -0.006994 0.013708 -0.017027 12H 2s -0.026354 -0.010051 0.005265 -0.011407 0.022867 -0.027264 12H 3s -0.027919 -0.003044 -0.020581 -0.013169 0.014636 -0.016622 12H 1pz 0.004132 -0.000896 -0.000613 0.000019 -0.001551 0.000475 12H 1px 0.000192 -0.000592 0.000358 0.000232 -0.000388 0.000334 12H 1py 0.000545 -0.000615 0.000314 -0.000628 0.000899 -0.001444 13H 1s -0.006464 -0.008756 -0.011145 -0.000735 -0.021915 0.016557 13H 2s -0.010572 -0.014774 -0.017597 -0.000034 -0.035054 0.026121 13H 3s -0.011220 -0.027202 -0.008435 0.011944 -0.018196 0.001770 13H 1pz -0.000278 0.001066 -0.000676 -0.000492 -0.000841 0.001146 13H 1px 0.000793 0.002042 0.000727 -0.000039 0.001985 -0.001151 13H 1py -0.001435 -0.002968 0.000297 -0.000511 -0.000614 0.000095 14H 1s 0.003606 -0.023173 0.008078 0.002672 0.006280 -0.013168 14H 2s 0.005282 -0.036067 0.012921 0.003206 0.011466 -0.021333 14H 3s -0.001427 -0.034216 0.011714 -0.021652 -0.001255 0.003760 14H 1pz 0.000198 0.000324 0.000568 0.000087 0.001126 -0.000895 14H 1px 0.000726 -0.000292 0.000361 0.000423 0.000658 -0.000852 14H 1py -0.001347 -0.004131 -0.000018 0.000538 -0.000664 -0.000758 15H 1s -0.015468 -0.015813 0.002482 -0.001540 0.002337 -0.003988 15H 2s -0.022713 -0.023607 0.004278 -0.002402 0.005306 -0.006425 15H 3s -0.018221 -0.022783 0.003483 0.010383 0.001622 -0.007692 15H 1pz 0.001634 0.003148 -0.000006 0.000416 0.000612 0.000020 15H 1px 0.000123 0.001688 -0.000414 -0.000642 -0.000346 0.000991 15H 1py -0.000709 -0.001963 -0.000360 -0.000103 -0.001316 0.000514 16H 1s 0.004166 -0.002646 0.000123 0.000922 0.000491 0.004768 16H 2s 0.008059 -0.004923 -0.000229 0.004180 0.003226 0.005820 16H 3s -0.006212 0.000434 0.001025 -0.004176 0.001243 -0.008608 16H 1pz 0.000074 -0.000260 0.000254 0.000654 -0.001412 0.000640 16H 1px 0.000868 -0.000379 0.000094 0.000215 0.002709 0.000546 16H 1py 0.000256 0.000635 -0.000596 0.000025 0.002171 0.000376 17H 1s -0.001176 -0.004882 0.000871 -0.000122 0.000878 -0.003573 17H 2s -0.002297 -0.009256 0.004944 -0.000584 0.004208 -0.005523 17H 3s 0.002331 0.004289 -0.003358 0.000060 0.000965 0.006225 17H 1pz 0.000012 0.000784 -0.000449 -0.000366 -0.000483 0.000609 17H 1px -0.000150 -0.000413 -0.000076 -0.000257 0.003020 -0.000383 17H 1py -0.000431 0.000296 0.000400 -0.000554 0.002184 -0.000846 18H 1s 0.001290 0.004838 0.000912 -0.000126 -0.000940 -0.003694 18H 2s 0.002445 0.009085 0.004944 -0.000580 -0.004494 -0.005674 18H 3s -0.002430 -0.004164 -0.003489 0.000149 -0.000632 0.006329 18H 1pz 0.000034 0.000770 0.000441 0.000365 -0.000524 -0.000642 18H 1px -0.000153 -0.000404 0.000238 0.000066 0.002994 0.000359 18H 1py -0.000414 0.000339 -0.000262 0.000419 0.002227 0.000814 19H 1s -0.004096 0.002749 0.000180 0.000914 -0.000417 0.004669 19H 2s -0.007992 0.005103 -0.000045 0.004292 -0.002939 0.005684 19H 3s 0.006222 -0.000636 0.000931 -0.004114 -0.001550 -0.008526 19H 1pz 0.000063 -0.000278 -0.000358 -0.000568 -0.001462 -0.000613 19H 1px 0.000863 -0.000391 0.000046 -0.000368 0.002659 -0.000550 19H 1py 0.000291 0.000619 0.000721 -0.000165 0.002113 -0.000417 20H 1s 0.015441 0.015796 0.002697 -0.001473 -0.002747 -0.004120 20H 2s 0.022670 0.023590 0.004510 -0.002198 -0.005982 -0.006634 20H 3s 0.018184 0.022850 0.003828 0.010668 -0.001391 -0.007971 20H 1pz 0.001632 0.003154 0.000102 -0.000467 0.000562 -0.000034 20H 1px 0.000111 0.001678 0.000415 0.000650 -0.000323 -0.000986 20H 1py -0.000714 -0.001966 0.000259 0.000189 -0.001332 -0.000518 21H 1s -0.003667 0.023054 0.008029 0.002908 -0.006483 -0.013105 21H 2s -0.005368 0.035884 0.012760 0.003668 -0.011871 -0.021232 21H 3s 0.001362 0.033818 0.012402 -0.021857 -0.000700 0.003810 21H 1pz 0.000202 0.000320 -0.000503 -0.000148 0.001154 0.000899 21H 1px 0.000729 -0.000276 -0.000316 -0.000459 0.000636 0.000837 21H 1py -0.001342 -0.004140 -0.000087 -0.000478 -0.000689 0.000762 22H 1s 0.006539 0.008926 -0.009766 -0.002019 0.022427 0.016556 22H 2s 0.010690 0.015059 -0.015359 -0.002115 0.035914 0.026105 22H 3s 0.011238 0.027461 -0.006864 0.010437 0.019221 0.001863 22H 1pz -0.000281 0.001067 0.000637 0.000539 -0.000834 -0.001139 22H 1px 0.000804 0.002057 -0.000587 -0.000081 0.002029 0.001155 22H 1py -0.001431 -0.002950 -0.000386 0.000557 -0.000546 -0.000084 23H 1s 0.016987 0.006705 0.003482 -0.006048 -0.014103 -0.016771 23H 2s 0.026571 0.009897 0.004410 -0.009856 -0.023472 -0.026904 23H 3s 0.027940 0.003370 -0.020973 -0.012279 -0.014183 -0.016301 23H 1pz 0.004142 -0.000906 0.000510 0.000093 -0.001577 -0.000467 23H 1px 0.000212 -0.000577 -0.000396 -0.000226 -0.000416 -0.000377 23H 1py 0.000546 -0.000616 -0.000287 0.000571 0.000936 0.001439 24H 1s 0.012180 -0.012121 -0.002494 -0.004767 -0.014360 -0.010250 24H 2s 0.017531 -0.017696 -0.003074 -0.007556 -0.023159 -0.017509 24H 3s 0.021801 -0.015075 0.014499 -0.003431 -0.017186 -0.001639 24H 1pz 0.002529 -0.000871 -0.000376 0.000466 0.000088 0.001050 24H 1px 0.000051 0.000623 0.000713 -0.000082 -0.000076 -0.000206 24H 1py 0.003121 -0.000983 -0.000176 -0.000312 -0.001760 -0.001135 25H 1s 0.019518 -0.008890 -0.001670 0.011226 0.013304 0.026518 25H 2s 0.031018 -0.013953 -0.001910 0.017206 0.020471 0.041462 25H 3s 0.034642 -0.011990 0.006500 0.006734 -0.000816 0.016157 25H 1pz 0.002385 -0.000926 -0.000517 -0.000528 -0.001360 -0.000688 25H 1px 0.002508 -0.001099 -0.000373 0.000852 0.000859 0.002077 25H 1py 0.002014 -0.000056 0.000590 -0.000009 -0.000570 -0.000048 26O 1s 0.001338 0.000636 -0.000687 0.003349 -0.005148 -0.000237 26O 2s 0.003417 0.001457 -0.001646 0.008098 -0.012410 -0.000620 26O 3s -0.007889 -0.001333 0.002521 -0.013727 0.019776 0.001363 26O 4s -0.005113 -0.005048 0.004175 -0.012800 0.029909 -0.003195 26O 5s 0.039761 -0.021254 0.002228 -0.021060 0.011646 0.050894 26O 1pz 0.101282 0.013900 0.091986 0.091752 -0.139827 0.167171 26O 1px 0.055929 -0.031208 0.075080 -0.049655 0.083958 -0.067049 26O 1py 0.069858 -0.036595 -0.177330 -0.009764 -0.060268 0.016728 26O 2pz 0.085193 0.011526 0.077901 0.076563 -0.119919 0.143054 26O 2px 0.042755 -0.024521 0.063169 -0.042351 0.069156 -0.058802 26O 2py 0.057947 -0.028948 -0.149994 -0.008705 -0.052533 0.015067 26O 3pz 0.070950 0.009443 0.055718 0.055688 -0.082827 0.111323 26O 3px 0.004930 -0.004266 0.046336 -0.040273 0.053295 -0.046255 26O 3py 0.034433 -0.022292 -0.108196 -0.011134 -0.036217 0.013741 26O 1dz2 0.001440 -0.000762 0.000137 -0.000088 0.000012 -0.000289 26O 1dxz -0.001161 -0.000225 -0.001086 -0.000773 0.001017 -0.001842 26O 1dyz 0.000010 -0.000009 -0.000407 -0.000132 0.000129 -0.000756 26O 1dx2y2 -0.001335 0.000201 -0.001576 0.000342 -0.001024 0.000683 26O 1dxy -0.001630 0.000915 0.001707 0.000320 0.000159 -0.000089 26O 2dz2 0.004441 -0.001600 0.002040 -0.000304 -0.002296 0.002304 26O 2dxz -0.002694 -0.001191 -0.001945 -0.002033 0.002744 -0.004137 26O 2dyz 0.004128 -0.000716 -0.002332 -0.000901 -0.002961 0.003180 26O 2dx2y2 -0.002417 -0.000843 -0.002396 0.001292 -0.001487 0.000979 26O 2dxy -0.001790 0.001673 0.004892 0.000969 0.000830 0.000865 26O 1f0 -0.000280 -0.000197 -0.000053 0.000078 -0.000065 -0.000032 26O 1f+1 -0.000337 0.000326 0.000452 0.000527 -0.000537 0.000702 26O 1f-1 0.000402 0.000216 0.000653 0.000295 -0.000559 0.000856 26O 1f+2 0.000206 0.000079 0.001060 0.000041 0.000289 -0.000048 26O 1f-2 0.000336 0.000032 0.000235 0.000122 -0.000390 0.000478 26O 1f+3 -0.000110 -0.000489 -0.001387 -0.000118 -0.000405 -0.000063 26O 1f-3 -0.000531 0.000439 0.000157 0.000371 -0.000186 0.000315 27O 1s -0.000039 0.004038 -0.003318 -0.000547 -0.003379 -0.000021 27O 2s -0.000018 0.009880 -0.008009 -0.001316 -0.008019 -0.000094 27O 3s -0.000968 -0.017687 0.013407 0.002105 0.011210 0.000519 27O 4s 0.001242 -0.020845 0.012777 0.002639 0.022199 -0.003139 27O 5s 0.023323 0.026484 0.025737 0.002865 0.029906 0.036991 27O 1pz 0.034054 0.092812 -0.018405 -0.176105 -0.071947 0.134541 27O 1px 0.040403 0.018259 0.058871 -0.030385 0.091378 -0.025285 27O 1py -0.010675 -0.163115 0.079515 -0.112950 0.046360 -0.036105 27O 2pz 0.027847 0.079453 -0.014905 -0.148652 -0.060964 0.114029 27O 2px 0.031283 0.012406 0.049974 -0.025522 0.072963 -0.022891 27O 2py -0.008813 -0.137382 0.066353 -0.095981 0.041364 -0.031302 27O 3pz 0.028337 0.061109 -0.011964 -0.107353 -0.040442 0.087014 27O 3px 0.009691 -0.016023 0.043776 -0.018447 0.040382 -0.019837 27O 3py -0.005337 -0.103985 0.046182 -0.067968 0.024420 -0.027694 27O 1dz2 0.000436 0.001003 0.000294 -0.000439 0.000836 0.000115 27O 1dxz -0.000499 -0.000512 0.000072 0.001982 0.000843 -0.001540 27O 1dyz -0.000006 -0.000845 0.000309 -0.000240 0.000070 0.000069 27O 1dx2y2 -0.001205 -0.001267 -0.000624 0.000615 -0.001454 0.000150 27O 1dxy 0.000193 0.001718 -0.000588 0.001288 0.000161 0.000461 27O 2dz2 -0.000133 0.000161 0.001059 -0.003356 0.000834 0.000053 27O 2dxz -0.001831 -0.000574 0.000511 0.004647 0.002155 -0.003339 27O 2dyz -0.000897 -0.006660 -0.000113 -0.000318 0.000814 -0.002656 27O 2dx2y2 -0.002414 -0.004181 -0.001625 0.000035 -0.001053 -0.000681 27O 2dxy -0.000823 0.002432 -0.001988 0.003576 -0.000286 -0.000385 27O 1f0 -0.000480 -0.000433 -0.000113 0.000918 0.000315 -0.000736 27O 1f+1 -0.000202 -0.000116 -0.000293 -0.000321 -0.000496 0.000337 27O 1f-1 0.000009 -0.000095 -0.000087 0.000699 0.000105 -0.000309 27O 1f+2 0.000257 -0.000584 0.000188 -0.000951 -0.000026 0.000217 27O 1f-2 -0.000157 -0.000262 0.000078 0.000916 0.000549 -0.000755 27O 1f+3 -0.000431 0.000407 -0.000612 0.000951 -0.000551 0.000065 27O 1f-3 -0.000131 0.000402 0.000090 0.000567 0.000473 -0.000324 28O 1s 0.002997 -0.002027 0.000704 -0.003297 0.003148 0.000308 28O 2s 0.007398 -0.004910 0.001698 -0.007940 0.007451 0.000820 28O 3s -0.014150 0.008176 -0.002778 0.013028 -0.010085 -0.002107 28O 4s -0.013078 0.011121 -0.003600 0.013903 -0.021720 0.004094 28O 5s 0.023973 -0.000530 -0.001359 0.022924 -0.027716 -0.052501 28O 1pz 0.138125 -0.036086 -0.104539 -0.046015 0.003009 -0.102175 28O 1px 0.044901 -0.036452 -0.053839 -0.093555 0.112312 -0.139264 28O 1py 0.087464 -0.070201 0.185423 -0.011386 0.032347 -0.054805 28O 2pz 0.114162 -0.030985 -0.088615 -0.038056 0.006132 -0.086377 28O 2px 0.040723 -0.031283 -0.045999 -0.078538 0.091580 -0.119491 28O 2py 0.074274 -0.058567 0.157085 -0.008885 0.028615 -0.047402 28O 3pz 0.077848 -0.018801 -0.064861 -0.023614 0.007539 -0.070880 28O 3px 0.055924 -0.027097 -0.030144 -0.063722 0.053369 -0.093951 28O 3py 0.057244 -0.048399 0.110241 -0.007355 0.015514 -0.042148 28O 1dz2 -0.000908 -0.000042 0.001104 0.000658 -0.000492 0.001582 28O 1dxz 0.002150 -0.000427 -0.000567 0.000122 -0.001317 -0.000168 28O 1dyz 0.000031 0.000379 -0.001184 -0.000234 0.000136 0.000395 28O 1dx2y2 -0.000487 -0.000197 -0.000533 -0.000733 0.001254 -0.001211 28O 1dxy 0.001041 -0.000855 0.001862 -0.000062 0.000071 -0.000606 28O 2dz2 -0.000792 -0.001266 0.001213 0.001655 -0.001080 0.001383 28O 2dxz 0.005024 -0.001479 -0.003152 0.000112 -0.000746 -0.002076 28O 2dyz 0.004695 -0.000458 -0.002231 0.000253 0.000509 -0.003489 28O 2dx2y2 -0.000312 -0.000232 -0.003129 -0.002254 0.001656 -0.002419 28O 2dxy 0.003822 -0.003237 0.004950 0.000210 0.000433 -0.002699 28O 1f0 0.000174 0.000097 -0.001327 -0.000489 0.000350 -0.000689 28O 1f+1 -0.000528 -0.000350 0.000944 -0.000018 0.000256 0.000145 28O 1f-1 0.000669 -0.000474 0.000205 -0.000127 0.000281 -0.000743 28O 1f+2 -0.000095 0.000166 -0.000506 0.000342 -0.000618 0.000603 28O 1f-2 0.000281 0.000313 -0.001227 -0.000311 0.000243 -0.000474 28O 1f+3 0.000136 0.000064 -0.000192 0.000087 -0.000112 0.000029 28O 1f-3 -0.000158 0.000370 -0.000704 -0.000321 0.000373 -0.000263 29O 1s 0.000772 -0.001833 0.000251 0.000158 0.001218 0.000163 29O 2s 0.001885 -0.004456 0.000604 0.000376 0.003102 0.000385 29O 3s -0.003300 0.007551 -0.000898 -0.000455 -0.007142 -0.000500 29O 4s -0.002848 0.007819 -0.001274 -0.001174 0.003745 -0.001522 29O 5s -0.008761 0.018155 -0.003765 -0.001804 -0.035716 0.001242 29O 1pz -0.008209 0.001771 0.000769 -0.000474 -0.020720 -0.010608 29O 1px 0.004050 -0.008477 0.000514 -0.005238 0.071199 -0.007697 29O 1py -0.002604 0.014560 -0.003714 -0.007344 0.053276 -0.005640 29O 2pz -0.006620 0.001273 0.000933 -0.000336 -0.017125 -0.007378 29O 2px 0.003033 -0.006384 0.000114 -0.004861 0.059058 -0.006039 29O 2py -0.002011 0.012195 -0.003523 -0.006802 0.045797 -0.004737 29O 3pz -0.002278 0.003221 -0.004030 0.003715 -0.018091 -0.009710 29O 3px 0.006193 -0.008097 -0.001084 -0.001894 0.058706 -0.005782 29O 3py -0.000801 0.004932 0.001983 -0.000843 0.036607 -0.004610 29O 1dz2 0.000193 0.000098 -0.000043 0.000015 0.000035 0.000264 29O 1dxz -0.000261 -0.000061 0.000030 -0.000021 -0.000295 -0.000317 29O 1dyz 0.000188 -0.000053 -0.000053 0.000079 -0.000009 0.000219 29O 1dx2y2 -0.000055 -0.000022 -0.000020 -0.000097 0.000873 -0.000188 29O 1dxy -0.000050 0.000335 -0.000052 0.000026 -0.000227 0.000073 29O 2dz2 0.000610 0.000349 -0.000059 -0.000136 0.000838 0.000755 29O 2dxz -0.000799 -0.000221 -0.000048 -0.000055 -0.000700 -0.000876 29O 2dyz 0.000531 -0.000390 0.000390 -0.000167 0.000330 0.000793 29O 2dx2y2 -0.000316 0.000270 -0.000058 -0.000352 0.002529 -0.000594 29O 2dxy -0.000367 0.001397 -0.000045 -0.000139 -0.001799 0.000275 29O 1f0 -0.000081 0.000031 0.000017 0.000039 -0.000324 -0.000080 29O 1f+1 -0.000110 -0.000050 0.000005 -0.000061 0.000402 -0.000179 29O 1f-1 -0.000064 0.000091 -0.000007 -0.000008 0.000414 -0.000106 29O 1f+2 0.000104 -0.000020 -0.000016 0.000002 0.000125 0.000060 29O 1f-2 0.000064 0.000091 0.000011 -0.000038 0.000391 0.000074 29O 1f+3 -0.000017 -0.000156 0.000014 0.000022 -0.000322 -0.000002 29O 1f-3 0.000002 -0.000020 -0.000027 -0.000050 0.000413 -0.000060 30O 1s 0.001594 0.000361 0.003339 0.000569 0.005330 0.000187 30O 2s 0.003897 0.001086 0.008068 0.001358 0.012849 0.000492 30O 3s -0.006935 -0.004561 -0.013617 -0.002093 -0.020501 -0.001182 30O 4s -0.008108 0.002524 -0.012871 -0.002846 -0.029808 0.002248 30O 5s 0.005658 0.038411 -0.020384 -0.001475 -0.017322 -0.031527 30O 1pz 0.053150 0.067608 -0.023154 0.176306 0.032970 -0.091796 30O 1px 0.044896 -0.019311 0.081655 0.040645 0.150473 -0.105523 30O 1py -0.040471 -0.100921 -0.056890 0.119942 -0.088121 0.009636 30O 2pz 0.043890 0.054860 -0.020210 0.149018 0.030065 -0.077424 30O 2px 0.038531 -0.012649 0.068840 0.034249 0.126415 -0.090714 30O 2py -0.034753 -0.081920 -0.047002 0.101857 -0.076304 0.008839 30O 3pz 0.034069 0.028859 -0.019702 0.104646 0.017720 -0.058866 30O 3px 0.036337 0.019410 0.058676 0.026986 0.092448 -0.070186 30O 3py -0.021655 -0.057520 -0.029784 0.074140 -0.054079 0.011736 30O 1dz2 -0.000684 0.000283 -0.000123 -0.001621 -0.000581 0.001067 30O 1dxz 0.000531 0.001619 -0.000527 0.001433 -0.000468 -0.000204 30O 1dyz 0.000494 0.001029 -0.000002 0.000137 0.000046 -0.000621 30O 1dx2y2 0.000117 -0.000160 0.000722 -0.000283 0.001318 -0.000933 30O 1dxy -0.000401 -0.002128 -0.000228 0.001421 -0.000096 -0.000404 30O 2dz2 -0.002993 -0.000962 -0.000475 -0.002304 -0.001961 0.003048 30O 2dxz 0.002202 0.003038 -0.001856 0.005027 0.000634 -0.002246 30O 2dyz -0.000396 -0.001567 0.000436 -0.000148 -0.001936 0.001328 30O 2dx2y2 -0.000347 -0.000407 0.001972 0.000871 0.002288 -0.001425 30O 2dxy -0.001860 -0.005400 -0.000274 0.003984 -0.003163 0.000878 30O 1f0 -0.000073 -0.000503 0.000062 0.000505 -0.000155 -0.000082 30O 1f+1 -0.000605 -0.000191 0.000205 -0.000999 0.000003 0.000524 30O 1f-1 -0.000398 -0.000118 0.000249 -0.001625 -0.000198 0.000796 30O 1f+2 -0.000169 -0.000286 -0.000261 0.000332 -0.000718 0.000335 30O 1f-2 0.000115 0.000358 -0.000290 0.000061 -0.000411 0.000205 30O 1f+3 0.000323 -0.000294 0.000048 0.000607 0.000170 -0.000467 30O 1f-3 -0.000165 0.000469 -0.000363 -0.000110 -0.000503 0.000377 31O 1s -0.001588 -0.000412 0.003013 0.000865 -0.005448 0.000207 31O 2s -0.003884 -0.001211 0.007278 0.002073 -0.013133 0.000541 31O 3s 0.006914 0.004775 -0.012306 -0.003248 0.020988 -0.001262 31O 4s 0.008073 -0.002354 -0.011145 -0.004459 0.030226 0.002133 31O 5s -0.005688 -0.037901 -0.019936 -0.002409 0.017995 -0.031435 31O 1pz 0.053755 0.066189 0.026472 -0.178140 0.021325 0.092274 31O 1px 0.044997 -0.018145 -0.073039 -0.049096 0.152095 0.105376 31O 1py -0.040067 -0.102686 0.050399 -0.114187 -0.097696 -0.008996 31O 2pz 0.044392 0.053645 0.023094 -0.150711 0.020164 0.077827 31O 2px 0.038619 -0.011673 -0.061543 -0.041345 0.127797 0.090576 31O 2py -0.034417 -0.083405 0.041482 -0.096887 -0.084355 -0.008311 31O 3pz 0.034462 0.027979 0.021339 -0.105456 0.010594 0.059202 31O 3px 0.036406 0.020213 -0.052796 -0.032318 0.093811 0.070065 31O 3py -0.021410 -0.058584 0.025863 -0.070721 -0.059817 -0.011338 31O 1dz2 0.000690 -0.000290 -0.000092 -0.001649 0.000491 0.001072 31O 1dxz -0.000536 -0.001602 -0.000528 0.001411 0.000581 -0.000209 31O 1dyz -0.000495 -0.001028 -0.000019 0.000142 -0.000037 -0.000621 31O 1dx2y2 -0.000116 0.000146 0.000648 -0.000207 -0.001370 -0.000929 31O 1dxy 0.000396 0.002141 -0.000192 0.001402 0.000187 -0.000409 31O 2dz2 0.003008 0.000958 -0.000334 -0.002413 0.001852 0.003058 31O 2dxz -0.002220 -0.002981 -0.001947 0.005062 -0.000230 -0.002263 31O 2dyz 0.000395 0.001551 0.000585 -0.000273 0.001899 0.001319 31O 2dx2y2 0.000351 0.000380 0.001836 0.001012 -0.002331 -0.001420 31O 2dxy 0.001847 0.005440 -0.000019 0.003762 0.003400 0.000868 31O 1f0 -0.000071 -0.000506 -0.000078 -0.000492 -0.000180 0.000084 31O 1f+1 -0.000609 -0.000181 -0.000209 0.000996 0.000072 -0.000527 31O 1f-1 -0.000404 -0.000105 -0.000266 0.001633 -0.000090 -0.000801 31O 1f+2 -0.000169 -0.000294 0.000214 -0.000289 -0.000750 -0.000331 31O 1f-2 0.000116 0.000354 0.000270 -0.000040 -0.000431 -0.000204 31O 1f+3 0.000326 -0.000297 -0.000041 -0.000613 0.000137 0.000469 31O 1f-3 -0.000167 0.000464 0.000340 0.000136 -0.000516 -0.000376 32O 1s -0.000733 0.001842 0.000230 0.000206 -0.001208 0.000122 32O 2s -0.001792 0.004479 0.000545 0.000500 -0.003077 0.000288 32O 3s 0.003154 -0.007582 -0.000698 -0.000772 0.007101 -0.000358 32O 4s 0.002610 -0.007904 -0.001635 -0.000893 -0.003800 -0.001242 32O 5s 0.008654 -0.018085 -0.002480 -0.003468 0.035633 0.001333 32O 1pz -0.008161 0.001521 -0.001962 0.001570 -0.021280 0.010601 32O 1px 0.004146 -0.008351 0.003109 0.001081 0.070596 0.007286 32O 1py -0.002184 0.014833 0.006856 0.004064 0.053104 0.005018 32O 2pz -0.006589 0.001065 -0.001925 0.001242 -0.017622 0.007376 32O 2px 0.003114 -0.006278 0.002916 0.001395 0.058550 0.005680 32O 2py -0.001645 0.012429 0.006220 0.003981 0.045668 0.004194 32O 3pz -0.002219 0.002978 0.002947 -0.002781 -0.018855 0.009698 32O 3px 0.006246 -0.008037 0.004035 -0.001491 0.058130 0.005505 32O 3py -0.000483 0.005178 0.000023 -0.001322 0.036444 0.004212 32O 1dz2 -0.000186 -0.000095 -0.000041 0.000014 -0.000026 0.000255 32O 1dxz 0.000264 0.000062 0.000048 -0.000041 0.000278 -0.000325 32O 1dyz -0.000190 0.000054 -0.000052 0.000079 -0.000004 0.000219 32O 1dx2y2 0.000055 0.000020 -0.000066 -0.000046 -0.000875 -0.000185 32O 1dxy 0.000050 -0.000333 -0.000046 0.000015 0.000220 0.000070 32O 2dz2 -0.000591 -0.000349 -0.000132 -0.000075 -0.000810 0.000732 32O 2dxz 0.000809 0.000237 -0.000022 -0.000085 0.000641 -0.000902 32O 2dyz -0.000530 0.000374 0.000365 -0.000173 -0.000421 0.000794 32O 2dx2y2 0.000301 -0.000278 -0.000205 -0.000194 -0.002541 -0.000579 32O 2dxy 0.000360 -0.001399 0.000021 -0.000241 0.001767 0.000265 32O 1f0 -0.000078 0.000026 -0.000036 -0.000019 -0.000338 0.000079 32O 1f+1 -0.000110 -0.000050 0.000016 0.000036 0.000391 0.000177 32O 1f-1 -0.000061 0.000096 0.000031 -0.000018 0.000405 0.000103 32O 1f+2 0.000105 -0.000026 0.000023 -0.000009 0.000115 -0.000062 32O 1f-2 0.000068 0.000093 0.000013 0.000016 0.000408 -0.000075 32O 1f+3 -0.000020 -0.000155 -0.000034 -0.000002 -0.000318 0.000005 32O 1f-3 -0.000000 -0.000020 0.000046 0.000026 0.000401 0.000059 33O 1s -0.003004 0.002005 0.000592 -0.003139 -0.003354 0.000284 33O 2s -0.007416 0.004858 0.001437 -0.007569 -0.007948 0.000761 33O 3s 0.014180 -0.008091 -0.002467 0.012544 0.010899 -0.002020 33O 4s 0.013107 -0.011023 -0.002712 0.012794 0.022624 0.004265 33O 5s -0.023746 0.000492 -0.000047 0.021236 0.028865 -0.052354 33O 1pz 0.137991 -0.037555 0.103786 0.046614 0.000010 0.101946 33O 1px 0.044571 -0.036726 0.058081 0.087407 0.114380 0.139294 33O 1py 0.087563 -0.066859 -0.184813 0.010064 0.042351 0.055753 33O 2pz 0.114055 -0.032244 0.088158 0.038365 0.003500 0.086193 33O 2px 0.040446 -0.031516 0.049398 0.073533 0.093296 0.119512 33O 2py 0.074340 -0.055735 -0.156495 0.007688 0.037039 0.048190 33O 3pz 0.077814 -0.019757 0.064785 0.023617 0.005439 0.070832 33O 3px 0.055657 -0.027154 0.031735 0.060906 0.055187 0.093912 33O 3py 0.057349 -0.046399 -0.110072 0.006855 0.021581 0.042785 33O 1dz2 0.000903 0.000029 0.001126 0.000634 0.000471 0.001577 33O 1dxz -0.002150 0.000436 -0.000497 0.000036 0.001349 -0.000167 33O 1dyz -0.000032 -0.000356 -0.001190 -0.000226 -0.000087 0.000401 33O 1dx2y2 0.000491 0.000201 -0.000587 -0.000661 -0.001265 -0.001212 33O 1dxy -0.001042 0.000821 0.001875 -0.000063 -0.000168 -0.000614 33O 2dz2 0.000789 0.001253 0.001280 0.001591 0.001111 0.001378 33O 2dxz -0.005030 0.001534 -0.003102 0.000032 0.000922 -0.002079 33O 2dyz -0.004696 0.000498 -0.002223 0.000264 -0.000372 -0.003482 33O 2dx2y2 0.000323 0.000270 -0.003183 -0.002161 -0.001625 -0.002419 33O 2dxy -0.003826 0.003148 0.004992 0.000214 -0.000670 -0.002721 33O 1f0 0.000171 0.000078 0.001342 0.000469 0.000308 0.000684 33O 1f+1 -0.000529 -0.000334 -0.000939 0.000000 0.000305 -0.000142 33O 1f-1 0.000672 -0.000469 -0.000196 0.000117 0.000299 0.000749 33O 1f+2 -0.000094 0.000156 0.000486 -0.000306 -0.000663 -0.000606 33O 1f-2 0.000279 0.000292 0.001236 0.000297 0.000198 0.000470 33O 1f+3 0.000136 0.000061 0.000189 -0.000081 -0.000128 -0.000032 33O 1f-3 -0.000159 0.000360 0.000730 0.000298 0.000355 0.000262 34O 1s 0.000034 -0.003994 -0.003177 -0.000714 0.003518 -0.000018 34O 2s 0.000007 -0.009775 -0.007679 -0.001711 0.008355 -0.000085 34O 3s 0.000985 0.017506 0.013002 0.002637 -0.011782 0.000502 34O 4s -0.001208 0.020709 0.011779 0.003744 -0.022696 -0.003148 34O 5s -0.023288 -0.026804 0.023720 0.004889 -0.030967 0.036804 34O 1pz 0.033547 0.093426 0.015407 0.179473 -0.062934 -0.135185 34O 1px 0.040255 0.019408 -0.053259 0.025117 0.095906 0.025025 34O 1py -0.011000 -0.161127 -0.079673 0.110857 0.057391 0.035896 34O 2pz 0.027417 0.079979 0.012394 0.151503 -0.053324 -0.114571 34O 2px 0.031159 0.013390 -0.045498 0.021366 0.076820 0.022650 34O 2py -0.009087 -0.135726 -0.066368 0.094064 0.050664 0.031133 34O 3pz 0.028038 0.061455 0.010317 0.109152 -0.035021 -0.087417 34O 3px 0.009610 -0.015145 -0.041498 0.016219 0.043508 0.019606 34O 3py -0.005524 -0.102696 -0.046560 0.067025 0.031075 0.027544 34O 1dz2 -0.000433 -0.001010 0.000230 -0.000387 -0.000870 0.000118 34O 1dxz 0.000494 0.000520 0.000029 0.002025 -0.000735 -0.001547 34O 1dyz 0.000006 0.000840 0.000319 -0.000240 -0.000102 0.000070 34O 1dx2y2 0.001203 0.001279 -0.000520 0.000527 0.001516 0.000146 34O 1dxy -0.000195 -0.001701 -0.000628 0.001303 -0.000049 0.000459 34O 2dz2 0.000145 -0.000195 0.001008 -0.003301 -0.001080 0.000064 34O 2dxz 0.001820 0.000586 0.000384 0.004767 -0.001915 -0.003357 34O 2dyz 0.000893 0.006658 -0.000057 -0.000300 -0.000838 -0.002659 34O 2dx2y2 0.002415 0.004214 -0.001479 -0.000041 0.001117 -0.000697 34O 2dxy 0.000819 -0.002374 -0.002023 0.003562 0.000610 -0.000393 34O 1f0 -0.000477 -0.000439 0.000126 -0.000932 0.000257 0.000739 34O 1f+1 -0.000203 -0.000119 0.000261 0.000348 -0.000490 -0.000336 34O 1f-1 0.000011 -0.000102 0.000094 -0.000703 0.000060 0.000311 34O 1f+2 0.000255 -0.000577 -0.000200 0.000955 0.000039 -0.000221 34O 1f-2 -0.000155 -0.000266 -0.000048 -0.000947 0.000500 0.000759 34O 1f+3 -0.000428 0.000392 0.000587 -0.000921 -0.000637 -0.000062 34O 1f-3 -0.000130 0.000400 -0.000055 -0.000594 0.000442 0.000323 35O 1s -0.001365 -0.000597 -0.000442 0.003049 0.005365 -0.000220 35O 2s -0.003483 -0.001363 -0.001053 0.007372 0.012935 -0.000580 35O 3s 0.007997 0.001184 0.001558 -0.012557 -0.020658 0.001302 35O 4s 0.005252 0.004836 0.002735 -0.011075 -0.030778 -0.003310 35O 5s -0.039722 0.021047 0.002391 -0.020685 -0.012787 0.051191 35O 1pz 0.101565 0.014880 -0.098483 -0.083499 -0.139804 -0.166991 35O 1px 0.055543 -0.029496 -0.071693 0.045061 0.090363 0.067572 35O 1py 0.070451 -0.039834 0.172801 0.013766 -0.069007 -0.017536 35O 2pz 0.085446 0.012360 -0.083475 -0.069499 -0.119828 -0.142905 35O 2px 0.042429 -0.023092 -0.060346 0.038538 0.074618 0.059277 35O 2py 0.058439 -0.031689 0.146130 0.012154 -0.059872 -0.015730 35O 3pz 0.071002 0.009999 -0.059520 -0.050715 -0.082752 -0.111168 35O 3px 0.004620 -0.003191 -0.043814 0.037073 0.057849 0.046669 35O 3py 0.034747 -0.024273 0.105478 0.013527 -0.041271 -0.014201 35O 1dz2 -0.001440 0.000759 0.000157 -0.000096 -0.000019 -0.000288 35O 1dxz 0.001163 0.000240 -0.001131 -0.000714 -0.001003 -0.001840 35O 1dyz -0.000012 0.000017 -0.000415 -0.000125 -0.000113 -0.000755 35O 1dx2y2 0.001331 -0.000170 -0.001528 0.000287 0.001120 0.000692 35O 1dxy 0.001635 -0.000944 0.001666 0.000341 -0.000232 -0.000095 35O 2dz2 -0.004439 0.001563 0.002201 -0.000446 0.002165 0.002305 35O 2dxz 0.002693 0.001212 -0.002047 -0.001876 -0.002754 -0.004133 35O 2dyz -0.004148 0.000765 -0.002171 -0.001091 0.003029 0.003200 35O 2dx2y2 0.002414 0.000888 -0.002310 0.001200 0.001671 0.000993 35O 2dxy 0.001800 -0.001760 0.004789 0.001033 -0.001032 0.000862 35O 1f0 -0.000280 -0.000198 0.000046 -0.000073 -0.000071 0.000031 35O 1f+1 -0.000335 0.000331 -0.000469 -0.000499 -0.000539 -0.000701 35O 1f-1 0.000404 0.000225 -0.000674 -0.000265 -0.000541 -0.000858 35O 1f+2 0.000201 0.000099 -0.001042 -0.000059 0.000342 0.000055 35O 1f-2 0.000338 0.000036 -0.000257 -0.000101 -0.000383 -0.000479 35O 1f+3 -0.000106 -0.000514 0.001355 0.000146 -0.000469 0.000057 35O 1f-3 -0.000530 0.000439 -0.000151 -0.000364 -0.000200 -0.000317 108 109 110 111 112 113 -0.28621 -0.28160 -0.25106 -0.24918 -0.24116 -0.24034 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s -0.000330 -0.000018 0.000042 -0.000197 -0.005183 -0.000068 0Rh 2s 0.001278 0.000082 -0.000170 0.000753 0.019276 0.000233 0Rh 3s -0.001119 -0.000052 0.000138 -0.000675 -0.018080 -0.000250 0Rh 4s -0.005465 -0.000356 0.000726 -0.003217 -0.082302 -0.000987 0Rh 5s 0.004372 0.000395 -0.000538 0.002432 0.060314 0.000583 0Rh 6s 0.008201 0.000122 -0.001329 0.005463 0.145073 0.002234 0Rh 7s -0.002225 0.001860 0.002816 -0.008538 -0.159892 -0.005802 0Rh 8s -0.014192 -0.007966 -0.006159 -0.002960 -0.032309 0.005515 0Rh 1pz -0.000111 -0.000107 -0.006519 0.000470 0.005591 0.000033 0Rh 1px 0.001107 -0.000050 -0.002173 -0.000395 -0.017428 -0.000178 0Rh 1py -0.007914 0.000225 0.000405 0.006418 -0.002552 0.000012 0Rh 2pz 0.000377 0.000362 0.022187 -0.001602 -0.018944 -0.000115 0Rh 2px -0.003748 0.000172 0.007395 0.001345 0.059050 0.000598 0Rh 2py 0.026821 -0.000758 -0.001379 -0.021847 0.008633 -0.000040 0Rh 3pz -0.000346 -0.000297 -0.018984 0.001393 0.014866 0.000137 0Rh 3px 0.002948 -0.000184 -0.006382 -0.001148 -0.046261 -0.000393 0Rh 3py -0.021439 0.000553 0.001199 0.018786 -0.006506 -0.000010 0Rh 4pz -0.000365 -0.000466 -0.027381 0.001938 0.026536 0.000046 0Rh 4px 0.005402 -0.000075 -0.008835 -0.001746 -0.083147 -0.001089 0Rh 4py -0.036791 0.001235 0.001630 0.026683 -0.012971 0.000238 0Rh 5pz -0.000135 0.000008 0.001783 -0.000072 -0.000940 -0.000036 0Rh 5px -0.001832 -0.000258 -0.000007 0.000161 0.004112 0.000464 0Rh 5py 0.006406 -0.000506 0.000047 -0.001774 0.002044 -0.000348 0Rh 6pz 0.002165 0.000175 -0.007523 -0.001410 -0.035874 0.000875 0Rh 6px 0.014230 0.002925 0.001914 0.005731 0.102357 -0.000837 0Rh 6py -0.044936 0.002286 -0.001383 0.017383 -0.011289 0.000721 0Rh 1dz2 -0.002190 0.000242 0.070886 -0.008342 -0.052206 0.115657 0Rh 1dxz -0.000669 -0.000417 -0.113500 0.019573 -0.066693 0.053119 0Rh 1dyz -0.014269 0.000211 -0.026307 -0.040113 -0.014215 -0.060775 0Rh 1dx2y2 -0.010887 -0.000243 -0.043966 -0.041562 0.098079 0.083567 0Rh 1dxy 0.043814 -0.000950 -0.000523 0.129448 0.046891 0.009556 0Rh 2dz2 0.000073 -0.000009 -0.002136 0.000283 0.001562 -0.003541 0Rh 2dxz 0.000029 0.000010 0.003515 -0.000599 0.002009 -0.001680 0Rh 2dyz 0.000466 -0.000006 0.000835 0.001271 0.000453 0.001867 0Rh 2dx2y2 0.000347 0.000015 0.001363 0.001270 -0.002878 -0.002535 0Rh 2dxy -0.001400 0.000044 0.000027 -0.004066 -0.001514 -0.000291 0Rh 3dz2 0.003173 -0.000346 -0.104612 0.012237 0.076787 -0.171218 0Rh 3dxz 0.000915 0.000624 0.167561 -0.028954 0.098229 -0.078622 0Rh 3dyz 0.020775 -0.000309 0.038699 0.059150 0.020841 0.089931 0Rh 3dx2y2 0.015890 0.000320 0.064728 0.061317 -0.144331 -0.123745 0Rh 3dxy -0.063911 0.001333 0.000741 -0.191008 -0.068792 -0.014203 0Rh 4dz2 0.004291 -0.000512 -0.138224 0.016377 0.101412 -0.226109 0Rh 4dxz 0.001379 0.000774 0.221099 -0.038133 0.129217 -0.103785 0Rh 4dyz 0.028185 -0.000424 0.051605 0.078266 0.027791 0.118874 0Rh 4dx2y2 0.021555 0.000592 0.085962 0.081187 -0.190170 -0.163153 0Rh 4dxy -0.086300 0.002020 0.001102 -0.252484 -0.091718 -0.018531 0Rh 5dz2 0.002806 0.000057 -0.096840 0.010955 0.072028 -0.156809 0Rh 5dxz 0.000591 0.000836 0.155848 -0.026594 0.092607 -0.072064 0Rh 5dyz 0.018607 -0.000081 0.035443 0.054529 0.019038 0.081742 0Rh 5dx2y2 0.014541 -0.000347 0.059526 0.056667 -0.136465 -0.113817 0Rh 5dxy -0.058546 0.000748 0.000426 -0.176707 -0.061999 -0.013332 0Rh 1f0 0.004372 -0.000092 0.000029 -0.002456 0.003629 -0.000061 0Rh 1f+1 0.000710 -0.000010 0.003032 -0.000429 -0.002864 0.000194 0Rh 1f-1 0.005073 -0.000143 0.003171 -0.003511 -0.000471 0.000034 0Rh 1f+2 0.002207 -0.000148 -0.005011 0.000247 -0.005098 0.000022 0Rh 1f-2 0.005000 -0.000154 -0.001284 -0.003825 -0.001606 -0.000139 0Rh 1f+3 -0.002738 0.000016 0.002515 0.003129 -0.005716 -0.000240 0Rh 1f-3 0.001473 -0.000002 -0.000143 -0.003656 -0.002811 -0.000051 1Rh 1s -0.000334 0.000020 -0.000004 0.000201 -0.005163 -0.000068 1Rh 2s 0.001291 -0.000091 0.000026 -0.000767 0.019198 0.000233 1Rh 3s -0.001132 0.000060 -0.000005 0.000688 -0.018014 -0.000249 1Rh 4s -0.005519 0.000396 -0.000109 0.003276 -0.081965 -0.000985 1Rh 5s 0.004408 -0.000429 0.000074 -0.002476 0.060028 0.000581 1Rh 6s 0.008308 -0.000177 0.000287 -0.005566 0.144549 0.002231 1Rh 7s -0.002440 -0.001878 -0.001864 0.008607 -0.158781 -0.005814 1Rh 8s -0.013825 0.008115 0.006639 0.003005 -0.032428 0.005425 1Rh 1pz 0.000105 -0.000080 -0.006475 0.000487 -0.005616 -0.000031 1Rh 1px -0.001105 -0.000031 -0.002275 -0.000410 0.017433 0.000181 1Rh 1py 0.007925 0.000175 0.000374 0.006402 0.002565 -0.000026 1Rh 2pz -0.000358 0.000272 0.022035 -0.001661 0.019028 0.000107 1Rh 2px 0.003743 0.000107 0.007741 0.001395 -0.059068 -0.000610 1Rh 2py -0.026857 -0.000590 -0.001275 -0.021793 -0.008675 0.000085 1Rh 3pz 0.000330 -0.000221 -0.018863 0.001441 -0.014935 -0.000132 1Rh 3px -0.002950 -0.000130 -0.006657 -0.001188 0.046285 0.000403 1Rh 3py 0.021469 0.000416 0.001117 0.018743 0.006543 -0.000029 1Rh 4pz 0.000345 -0.000354 -0.027174 0.002014 -0.026645 -0.000029 1Rh 4px -0.005377 0.000013 -0.009302 -0.001815 0.083107 0.001103 1Rh 4py 0.036838 0.001014 0.001482 0.026606 0.013011 -0.000293 1Rh 5pz 0.000119 -0.000007 0.001781 -0.000068 0.000971 0.000011 1Rh 5px 0.001804 -0.000279 -0.000022 0.000160 -0.003988 -0.000465 1Rh 5py -0.006404 -0.000462 0.000058 -0.001760 -0.002027 0.000345 1Rh 6pz -0.001945 0.000422 -0.007809 -0.001699 0.034944 -0.000517 1Rh 6px -0.014067 0.003160 0.002687 0.005750 -0.102412 0.000854 1Rh 6py 0.044837 0.001564 -0.001218 0.017382 0.011361 -0.000564 1Rh 1dz2 -0.002135 -0.000317 -0.070433 0.008593 -0.052303 0.115418 1Rh 1dxz -0.000600 0.000523 0.113871 -0.019558 -0.065555 0.052928 1Rh 1dyz -0.014139 -0.000036 0.026256 0.040019 -0.013903 -0.060609 1Rh 1dx2y2 -0.010858 0.000380 0.043256 0.041426 0.097727 0.083293 1Rh 1dxy 0.043755 0.000541 0.000391 -0.129321 0.046519 0.009643 1Rh 2dz2 0.000071 0.000011 0.002123 -0.000290 0.001565 -0.003536 1Rh 2dxz 0.000027 -0.000014 -0.003528 0.000599 0.001974 -0.001674 1Rh 2dyz 0.000462 0.000001 -0.000834 -0.001268 0.000443 0.001864 1Rh 2dx2y2 0.000346 -0.000020 -0.001342 -0.001266 -0.002869 -0.002528 1Rh 2dxy -0.001399 -0.000030 -0.000023 0.004063 -0.001503 -0.000295 1Rh 3dz2 0.003093 0.000456 0.103946 -0.012608 0.076921 -0.170854 1Rh 3dxz 0.000813 -0.000779 -0.168105 0.028932 0.096534 -0.078339 1Rh 3dyz 0.020586 0.000055 -0.038623 -0.059009 0.020379 0.089679 1Rh 3dx2y2 0.015848 -0.000519 -0.063686 -0.061114 -0.143791 -0.123334 1Rh 3dxy -0.063821 -0.000738 -0.000548 0.190820 -0.068239 -0.014331 1Rh 4dz2 0.004175 0.000664 0.137332 -0.016866 0.101575 -0.225640 1Rh 4dxz 0.001242 -0.000985 -0.221807 0.038098 0.126966 -0.103398 1Rh 4dyz 0.027926 0.000079 -0.051498 -0.078080 0.027173 0.118549 1Rh 4dx2y2 0.021498 -0.000863 -0.084573 -0.080918 -0.189435 -0.162608 1Rh 4dxy -0.086189 -0.001210 -0.000845 0.252222 -0.090972 -0.018703 1Rh 5dz2 0.002744 0.000036 0.096244 -0.011296 0.072235 -0.156545 1Rh 5dxz 0.000490 -0.000976 -0.156365 0.026590 0.091142 -0.071858 1Rh 5dyz 0.018444 -0.000145 -0.035383 -0.054410 0.018627 0.081532 1Rh 5dx2y2 0.014516 0.000166 -0.058571 -0.056485 -0.136135 -0.113501 1Rh 5dxy -0.058437 -0.000217 -0.000254 0.176541 -0.061545 -0.013452 1Rh 1f0 -0.004368 -0.000027 0.000051 -0.002440 -0.003636 0.000069 1Rh 1f+1 -0.000719 -0.000002 0.003015 -0.000425 0.002897 -0.000194 1Rh 1f-1 -0.005076 -0.000121 0.003161 -0.003510 0.000486 -0.000032 1Rh 1f+2 -0.002205 -0.000089 -0.005035 0.000243 0.005075 -0.000017 1Rh 1f-2 -0.005010 -0.000107 -0.001296 -0.003830 0.001600 0.000146 1Rh 1f+3 0.002732 -0.000022 0.002484 0.003121 0.005747 0.000236 1Rh 1f-3 -0.001473 0.000005 -0.000165 -0.003658 0.002819 0.000055 2C 1s 0.000190 -0.000067 0.004572 -0.003535 0.002254 0.000011 2C 2s 0.000415 -0.000151 0.010085 -0.007810 0.005057 0.000007 2C 3s -0.000174 0.000382 -0.019253 0.014748 -0.010365 0.000044 2C 4s -0.003646 -0.000203 -0.013490 0.011172 -0.001804 -0.000806 2C 5s -0.001845 0.006675 0.072761 -0.056242 0.018280 0.020143 2C 1pz 0.010070 0.004123 -0.034487 0.027179 -0.022503 0.011234 2C 1px -0.027707 0.000564 -0.010788 0.008258 -0.005343 0.007384 2C 1py -0.008448 -0.005053 -0.022447 0.015936 -0.014326 -0.020174 2C 2pz 0.006309 0.002730 -0.022396 0.018380 -0.016099 0.010558 2C 2px -0.023231 0.000565 -0.007134 0.005777 -0.003803 0.006715 2C 2py -0.006866 -0.003570 -0.013950 0.010684 -0.009264 -0.018264 2C 3pz 0.012678 0.013990 0.019151 -0.016630 -0.002236 0.002737 2C 3px -0.018329 -0.004073 -0.011563 0.008775 0.000416 0.000025 2C 3py -0.013168 -0.016305 0.016352 -0.010736 -0.001988 0.004652 2C 1dz2 -0.000772 -0.000152 -0.001042 0.000745 -0.000512 -0.001639 2C 1dxz 0.001836 0.000069 -0.000752 0.000485 -0.000266 -0.001983 2C 1dyz -0.000731 0.000242 -0.001210 0.000936 -0.000717 0.000954 2C 1dx2y2 -0.000910 0.000180 0.000786 -0.000706 0.000359 -0.001501 2C 1dxy 0.000948 -0.000298 -0.000046 0.000167 -0.000103 0.001513 2C 2dz2 -0.001388 -0.000684 0.000824 -0.001055 0.000064 -0.003623 2C 2dxz 0.002136 0.000205 0.000106 0.000096 0.000666 -0.001781 2C 2dyz -0.000780 0.000492 0.002212 -0.000893 0.000208 0.001990 2C 2dx2y2 -0.000434 0.000325 0.000492 -0.000654 0.000203 -0.002619 2C 2dxy 0.000799 -0.000805 0.000708 -0.000683 0.000410 0.000194 2C 1f0 -0.000561 -0.000291 -0.000014 0.000015 -0.000077 -0.000599 2C 1f+1 0.000422 0.000215 -0.000157 0.000152 -0.000225 -0.000127 2C 1f-1 -0.000210 0.000122 0.000099 -0.000042 -0.000107 -0.000037 2C 1f+2 0.000217 0.000092 0.000029 -0.000062 0.000152 -0.000431 2C 1f-2 0.000502 -0.000190 0.000194 -0.000087 0.000108 -0.000153 2C 1f+3 0.000035 -0.000265 -0.000051 0.000058 -0.000038 -0.000068 2C 1f-3 -0.000285 -0.000042 -0.000212 0.000140 -0.000210 0.000179 3C 1s -0.000065 0.000159 0.003625 0.004513 0.002263 0.000046 3C 2s -0.000144 0.000348 0.008001 0.009946 0.005078 0.000127 3C 3s 0.000280 -0.000537 -0.015162 -0.018429 -0.010513 -0.000307 3C 4s -0.000051 -0.000961 -0.010861 -0.016195 -0.000792 0.000926 3C 5s 0.007952 0.000484 0.057836 0.074033 0.012140 -0.024501 3C 1pz -0.015397 -0.003793 -0.012031 -0.016244 -0.012205 0.019932 3C 1px 0.041798 -0.004465 -0.012027 -0.015653 -0.009660 0.004063 3C 1py 0.008372 -0.001281 0.029292 0.034903 0.022374 0.013155 3C 2pz -0.012601 -0.002603 -0.007943 -0.011040 -0.007210 0.018097 3C 2px 0.034961 -0.002731 -0.007881 -0.011013 -0.007461 0.003822 3C 2py 0.008363 -0.000613 0.018799 0.024006 0.014718 0.011554 3C 3pz -0.009284 -0.006321 0.018413 0.024981 -0.002235 -0.005109 3C 3px 0.018512 -0.018714 -0.001373 -0.002104 -0.002400 -0.001811 3C 3py -0.001288 -0.010290 -0.011635 -0.013898 0.003248 0.004151 3C 1dz2 0.000825 0.000204 0.000019 -0.000004 0.000075 -0.000635 3C 1dxz -0.003121 -0.000425 -0.000602 -0.000640 -0.000244 -0.001313 3C 1dyz -0.001889 0.000003 0.000837 0.000928 0.000564 0.001970 3C 1dx2y2 -0.000730 0.000076 0.000869 0.001268 0.000583 -0.002273 3C 1dxy 0.001575 -0.000188 0.000614 0.000832 0.000434 -0.000878 3C 2dz2 0.001490 0.000800 -0.001459 -0.000692 -0.000328 -0.003570 3C 2dxz -0.003520 -0.000632 0.000127 0.000212 -0.000016 -0.001796 3C 2dyz -0.001441 -0.000077 -0.001153 -0.001103 -0.000510 0.001982 3C 2dx2y2 -0.001277 0.000141 -0.000312 0.000020 -0.000604 -0.002833 3C 2dxy 0.002150 -0.000851 -0.000707 -0.000739 -0.000199 -0.000270 3C 1f0 0.000007 0.000222 -0.000058 -0.000038 -0.000024 -0.000219 3C 1f+1 0.000250 -0.000223 -0.000111 -0.000167 -0.000125 -0.000214 3C 1f-1 -0.000405 -0.000176 0.000090 0.000133 0.000064 0.000622 3C 1f+2 -0.000553 -0.000077 -0.000103 -0.000123 -0.000070 0.000026 3C 1f-2 0.000667 0.000150 -0.000002 0.000007 0.000110 0.000271 3C 1f+3 -0.000574 0.000290 -0.000027 -0.000086 -0.000229 0.000024 3C 1f-3 -0.000845 0.000144 0.000197 0.000270 0.000187 -0.000247 4C 1s -0.000011 0.000025 0.008138 -0.006193 -0.003035 0.000016 4C 2s -0.000023 0.000074 0.017992 -0.013696 -0.006944 0.000034 4C 3s -0.000237 -0.000314 -0.030303 0.023664 0.023585 -0.000039 4C 4s 0.001254 0.000408 -0.061704 0.043873 -0.034276 0.000402 4C 5s 0.009474 0.000042 -0.073865 0.050054 -0.009037 -0.013838 4C 1pz 0.001413 -0.001394 0.001238 -0.003587 0.021342 -0.038712 4C 1px -0.002774 -0.000459 -0.000325 -0.002254 0.006916 -0.024279 4C 1py 0.000978 0.000988 0.004404 0.001355 0.014218 0.065410 4C 2pz -0.003914 -0.001317 0.004143 -0.007673 0.004237 -0.036943 4C 2px 0.009836 -0.000409 -0.001724 -0.003211 0.007783 -0.023152 4C 2py 0.001945 0.000058 0.008834 0.002059 0.004510 0.061236 4C 3pz -0.007611 0.000862 0.065017 -0.057029 0.034386 -0.007870 4C 3px 0.025970 0.002859 0.018903 -0.017978 0.003885 -0.008391 4C 3py 0.010380 0.009720 0.044253 -0.036837 0.021536 0.030136 4C 1dz2 0.000959 -0.003665 -0.004832 0.003741 -0.002098 -0.001633 4C 1dxz -0.002595 0.005039 -0.004027 0.002767 -0.001675 -0.000752 4C 1dyz 0.002154 0.004535 -0.004455 0.003509 -0.002039 0.000925 4C 1dx2y2 0.002335 0.005366 0.005696 -0.004583 0.002470 -0.001070 4C 1dxy -0.008162 -0.009330 0.001129 -0.000885 0.000762 -0.000032 4C 2dz2 -0.000255 -0.006427 -0.010516 0.005979 -0.005134 0.001164 4C 2dxz 0.000109 0.009375 -0.008752 0.005821 0.001228 0.000179 4C 2dyz 0.004424 0.008425 -0.008701 0.006663 -0.006347 -0.001341 4C 2dx2y2 0.004373 0.010652 0.010747 -0.010055 0.001045 0.001528 4C 2dxy -0.010648 -0.017222 0.002116 -0.001663 -0.000297 0.000704 4C 1f0 0.001373 -0.001733 0.000346 -0.000435 0.000022 0.000304 4C 1f+1 -0.001460 0.001747 0.000812 -0.000794 0.000124 0.000617 4C 1f-1 0.001113 0.001154 0.000612 -0.000452 -0.000244 -0.000016 4C 1f+2 -0.001026 0.000926 -0.001040 0.000530 -0.000137 -0.000001 4C 1f-2 -0.003134 -0.001246 0.000174 -0.000163 0.000076 -0.000601 4C 1f+3 -0.003218 -0.002204 -0.000012 -0.000066 -0.000144 0.000578 4C 1f-3 -0.000793 -0.000611 0.000917 -0.000490 -0.000078 -0.000806 5C 1s -0.000058 0.000096 0.006430 0.007877 -0.003046 -0.000075 5C 2s -0.000122 0.000214 0.014212 0.017442 -0.006980 -0.000153 5C 3s 0.000288 -0.000232 -0.024241 -0.030877 0.024254 0.000440 5C 4s 0.000008 -0.001329 -0.046994 -0.052050 -0.037358 -0.001382 5C 5s 0.000069 -0.005949 -0.049954 -0.072151 -0.007060 0.009944 5C 1pz -0.000602 0.000943 -0.002092 0.003802 0.014441 -0.065085 5C 1px 0.004141 0.000511 0.000333 0.000877 0.005472 -0.013296 5C 1py 0.000021 -0.000944 -0.004476 -0.001379 -0.021682 -0.043959 5C 2pz 0.004967 0.000691 -0.002604 0.008513 0.006199 -0.061182 5C 2px -0.016450 -0.000609 0.001720 0.002419 -0.003571 -0.012201 5C 2py -0.002533 -0.000759 -0.008470 -0.003153 -0.006869 -0.041727 5C 3pz 0.016878 0.000344 0.028239 0.035151 0.015556 -0.031693 5C 3px -0.029789 0.007548 0.025562 0.032228 0.017745 -0.008956 5C 3py -0.012779 0.005000 -0.059771 -0.068080 -0.028283 -0.005781 5C 1dz2 -0.001140 0.005730 -0.001406 -0.001473 -0.000582 -0.001598 5C 1dxz 0.001246 -0.009589 -0.003429 -0.004383 -0.001946 -0.000644 5C 1dyz 0.003626 0.000408 0.002416 0.002785 0.001031 0.000953 5C 1dx2y2 0.004526 -0.000232 0.005384 0.006779 0.002829 -0.001155 5C 1dxy -0.009558 -0.007280 0.003085 0.003964 0.002152 0.000039 5C 2dz2 0.000479 0.010834 -0.004172 -0.002520 0.002805 0.001990 5C 2dxz -0.001891 -0.017654 -0.007464 -0.008235 -0.003027 0.001264 5C 2dyz 0.002413 0.001257 0.005125 0.004093 0.005565 -0.000540 5C 2dx2y2 0.003267 -0.000952 0.010970 0.014241 0.001510 0.000217 5C 2dxy -0.009961 -0.013648 0.005744 0.007517 0.005573 -0.000044 5C 1f0 -0.001070 0.001819 -0.000002 0.000138 0.000076 0.000278 5C 1f+1 0.000401 -0.001761 0.000296 0.000601 0.000184 0.000906 5C 1f-1 0.001403 -0.001140 0.000031 -0.000343 -0.000132 0.000080 5C 1f+2 0.003928 -0.000842 -0.000418 -0.000552 -0.000006 -0.000648 5C 1f-2 -0.001141 0.001285 -0.000610 -0.000713 0.000221 -0.000062 5C 1f+3 0.004705 0.002223 0.000635 0.000634 0.000032 -0.000164 5C 1f-3 0.004020 0.000423 -0.000867 -0.000840 -0.000297 0.000709 6C 1s -0.000073 -0.000097 -0.006413 -0.007876 -0.003089 -0.000066 6C 2s -0.000155 -0.000216 -0.014174 -0.017440 -0.007075 -0.000133 6C 3s 0.000358 0.000232 0.024100 0.030847 0.024401 0.000393 6C 4s 0.000041 0.001362 0.047259 0.052180 -0.036913 -0.001364 6C 5s -0.000160 0.005967 0.049982 0.072199 -0.006797 0.009640 6C 1pz 0.000621 0.000934 -0.001987 0.003860 -0.014460 0.065069 6C 1px -0.004166 0.000508 0.000483 0.001007 -0.005414 0.013331 6C 1py -0.000052 -0.000937 -0.004598 -0.001345 0.021712 0.043993 6C 2pz -0.004952 0.000725 -0.002584 0.008576 -0.006253 0.061185 6C 2px 0.016458 -0.000822 0.001764 0.002514 0.003710 0.012153 6C 2py 0.002493 -0.000794 -0.008494 -0.003096 0.006890 0.041764 6C 3pz -0.016815 0.000694 0.028544 0.035169 -0.015735 0.031643 6C 3px 0.029924 0.007151 0.025805 0.032281 -0.017539 0.008852 6C 3py 0.012664 0.004872 -0.059968 -0.068073 0.028386 0.005970 6C 1dz2 -0.001195 -0.005710 0.001415 0.001476 -0.000582 -0.001616 6C 1dxz 0.001349 0.009541 0.003434 0.004371 -0.001910 -0.000632 6C 1dyz 0.003617 -0.000446 -0.002430 -0.002792 0.001030 0.000957 6C 1dx2y2 0.004517 0.000189 -0.005418 -0.006798 0.002814 -0.001138 6C 1dxy -0.009491 0.007359 -0.003088 -0.003950 0.002100 0.000065 6C 2dz2 0.000400 -0.010819 0.004163 0.002519 0.002795 0.001930 6C 2dxz -0.001707 0.017612 0.007472 0.008222 -0.002986 0.001283 6C 2dyz 0.002396 -0.001287 -0.005155 -0.004119 0.005552 -0.000525 6C 2dx2y2 0.003222 0.000921 -0.010991 -0.014256 0.001506 0.000270 6C 2dxy -0.009836 0.013712 -0.005760 -0.007503 0.005517 -0.000011 6C 1f0 0.001086 0.001802 -0.000003 0.000136 -0.000068 -0.000274 6C 1f+1 -0.000416 -0.001751 0.000297 0.000601 -0.000184 -0.000912 6C 1f-1 -0.001414 -0.001120 0.000034 -0.000339 0.000125 -0.000084 6C 1f+2 -0.003939 -0.000793 -0.000412 -0.000547 -0.000012 0.000647 6C 1f-2 0.001153 0.001267 -0.000611 -0.000719 -0.000221 0.000067 6C 1f+3 -0.004688 0.002271 0.000637 0.000640 -0.000042 0.000171 6C 1f-3 -0.004011 0.000464 -0.000865 -0.000840 0.000270 -0.000708 7C 1s -0.000013 -0.000025 -0.008126 0.006204 -0.003072 0.000011 7C 2s -0.000027 -0.000074 -0.017964 0.013719 -0.007025 0.000023 7C 3s -0.000234 0.000312 0.030183 -0.023725 0.023739 0.000015 7C 4s 0.001260 -0.000381 0.061978 -0.043811 -0.034072 0.000155 7C 5s 0.009631 -0.000076 0.073788 -0.050340 -0.008814 -0.012980 7C 1pz -0.001485 -0.001438 0.001404 -0.003540 -0.021346 0.038957 7C 1px 0.002898 -0.000502 -0.000309 -0.002166 -0.006789 0.024291 7C 1py -0.000969 0.001036 0.004485 0.001296 -0.014287 -0.065309 7C 2pz 0.003852 -0.001373 0.004206 -0.007706 -0.004204 0.037138 7C 2px -0.009812 -0.000390 -0.001758 -0.003086 -0.007703 0.023215 7C 2py -0.001961 0.000089 0.008820 0.001978 -0.004489 -0.061132 7C 3pz 0.007775 0.000803 0.065089 -0.056929 -0.034619 0.008784 7C 3px -0.025689 0.002416 0.018946 -0.018050 -0.003733 0.008541 7C 3py -0.010246 0.009866 0.044779 -0.037182 -0.021703 -0.029574 7C 1dz2 0.001002 0.003700 0.004843 -0.003732 -0.002091 -0.001638 7C 1dxz -0.002665 -0.005082 0.004027 -0.002764 -0.001621 -0.000734 7C 1dyz 0.002107 -0.004578 0.004478 -0.003512 -0.002024 0.000929 7C 1dx2y2 0.002278 -0.005408 -0.005725 0.004584 0.002452 -0.001076 7C 1dxy -0.008091 0.009436 -0.001141 0.000890 0.000778 -0.000056 7C 2dz2 -0.000198 0.006498 0.010507 -0.005955 -0.005125 0.001196 7C 2dxz 0.000010 -0.009510 0.008743 -0.005859 0.001318 0.000225 7C 2dyz 0.004341 -0.008519 0.008765 -0.006692 -0.006341 -0.001328 7C 2dx2y2 0.004272 -0.010735 -0.010781 0.010102 0.001040 0.001465 7C 2dxy -0.010513 0.017403 -0.002113 0.001656 -0.000243 0.000630 7C 1f0 -0.001392 -0.001743 0.000344 -0.000437 -0.000008 -0.000303 7C 1f+1 0.001481 0.001765 0.000812 -0.000793 -0.000132 -0.000627 7C 1f-1 -0.001104 0.001161 0.000610 -0.000455 0.000251 0.000011 7C 1f+2 0.001039 0.000925 -0.001040 0.000530 0.000125 0.000003 7C 1f-2 0.003129 -0.001257 0.000174 -0.000160 -0.000093 0.000605 7C 1f+3 0.003210 -0.002237 -0.000010 -0.000070 0.000132 -0.000575 7C 1f-3 0.000793 -0.000628 0.000921 -0.000493 0.000082 0.000804 8C 1s -0.000075 -0.000157 -0.003642 -0.004516 0.002239 0.000055 8C 2s -0.000166 -0.000343 -0.008037 -0.009952 0.005026 0.000145 8C 3s 0.000316 0.000526 0.015231 0.018446 -0.010414 -0.000335 8C 4s -0.000014 0.000973 0.010912 0.016188 -0.000735 0.000861 8C 5s 0.007988 -0.000716 -0.058082 -0.074040 0.012505 -0.024091 8C 1pz 0.015393 -0.004055 -0.012173 -0.016335 0.012182 -0.019906 8C 1px -0.041872 -0.003940 -0.012134 -0.015708 0.009460 -0.004043 8C 1py -0.008306 -0.001247 0.029427 0.034887 -0.022234 -0.013249 8C 2pz 0.012594 -0.002804 -0.008049 -0.011106 0.007197 -0.018071 8C 2px -0.034980 -0.002307 -0.007958 -0.011031 0.007302 -0.003800 8C 2py -0.008318 -0.000564 0.018922 0.023987 -0.014605 -0.011618 8C 3pz 0.009369 -0.006783 0.018283 0.024907 0.002282 0.004993 8C 3px -0.018776 -0.018189 -0.001642 -0.002390 0.002266 0.001755 8C 3py 0.001241 -0.010448 -0.011831 -0.014052 -0.003196 -0.004142 8C 1dz2 0.000789 -0.000212 -0.000021 0.000003 0.000080 -0.000636 8C 1dxz -0.003104 0.000456 0.000608 0.000642 -0.000254 -0.001349 8C 1dyz -0.001913 0.000019 -0.000840 -0.000926 0.000552 0.001958 8C 1dx2y2 -0.000710 -0.000068 -0.000876 -0.001270 0.000573 -0.002256 8C 1dxy 0.001595 0.000169 -0.000618 -0.000836 0.000438 -0.000890 8C 2dz2 0.001455 -0.000819 0.001457 0.000677 -0.000314 -0.003580 8C 2dxz -0.003500 0.000667 -0.000130 -0.000212 -0.000035 -0.001796 8C 2dyz -0.001456 0.000102 0.001148 0.001116 -0.000519 0.001981 8C 2dx2y2 -0.001254 -0.000129 0.000312 -0.000022 -0.000619 -0.002834 8C 2dxy 0.002180 0.000817 0.000699 0.000748 -0.000184 -0.000266 8C 1f0 -0.000008 0.000222 -0.000057 -0.000039 0.000023 0.000219 8C 1f+1 -0.000253 -0.000218 -0.000112 -0.000169 0.000125 0.000210 8C 1f-1 0.000404 -0.000182 0.000089 0.000131 -0.000062 -0.000624 8C 1f+2 0.000553 -0.000084 -0.000102 -0.000121 0.000071 -0.000027 8C 1f-2 -0.000664 0.000156 -0.000003 0.000004 -0.000112 -0.000271 8C 1f+3 0.000574 0.000283 -0.000031 -0.000088 0.000233 -0.000023 8C 1f-3 0.000848 0.000134 0.000199 0.000269 -0.000179 0.000248 9C 1s 0.000195 0.000067 -0.004590 0.003535 0.002234 0.000005 9C 2s 0.000427 0.000151 -0.010123 0.007808 0.005014 -0.000005 9C 3s -0.000191 -0.000381 0.019321 -0.014744 -0.010286 0.000056 9C 4s -0.003673 0.000197 0.013554 -0.011180 -0.001742 -0.000672 9C 5s -0.002239 -0.006532 -0.072878 0.056648 0.018742 0.018373 9C 1pz -0.010065 0.004255 -0.034504 0.027034 0.022357 -0.011379 9C 1px 0.027745 0.000635 -0.010781 0.008224 0.005125 -0.007406 9C 1py 0.008460 -0.005198 -0.022833 0.016176 0.014335 0.020108 9C 2pz -0.006304 0.002804 -0.022427 0.018239 0.015980 -0.010685 9C 2px 0.023308 0.000585 -0.007142 0.005761 0.003630 -0.006749 9C 2py 0.006843 -0.003664 -0.014221 0.010842 0.009283 0.018215 9C 3pz -0.012506 0.014177 0.019432 -0.016933 0.002191 -0.002410 9C 3px 0.017776 -0.003204 -0.011759 0.008928 -0.000531 0.000056 9C 3py 0.013191 -0.016696 0.015943 -0.010520 0.001885 -0.004385 9C 1dz2 -0.000776 0.000158 0.001039 -0.000742 -0.000500 -0.001630 9C 1dxz 0.001869 -0.000079 0.000755 -0.000488 -0.000275 -0.001970 9C 1dyz -0.000736 -0.000238 0.001221 -0.000936 -0.000710 0.000905 9C 1dx2y2 -0.000916 -0.000171 -0.000795 0.000712 0.000366 -0.001573 9C 1dxy 0.000911 0.000292 0.000048 -0.000163 -0.000109 0.001501 9C 2dz2 -0.001379 0.000706 -0.000810 0.001053 0.000057 -0.003633 9C 2dxz 0.002183 -0.000229 -0.000108 -0.000092 0.000641 -0.001780 9C 2dyz -0.000784 -0.000487 -0.002226 0.000914 0.000222 0.001970 9C 2dx2y2 -0.000435 -0.000314 -0.000477 0.000618 0.000193 -0.002637 9C 2dxy 0.000777 0.000808 -0.000709 0.000680 0.000397 0.000174 9C 1f0 0.000553 -0.000297 -0.000016 0.000016 0.000073 0.000604 9C 1f+1 -0.000415 0.000218 -0.000159 0.000152 0.000226 0.000127 9C 1f-1 0.000215 0.000121 0.000097 -0.000041 0.000108 0.000039 9C 1f+2 -0.000215 0.000093 0.000025 -0.000057 -0.000147 0.000428 9C 1f-2 -0.000510 -0.000187 0.000190 -0.000086 -0.000100 0.000157 9C 1f+3 -0.000047 -0.000267 -0.000047 0.000056 0.000038 0.000068 9C 1f-3 0.000287 -0.000045 -0.000219 0.000144 0.000211 -0.000175 10H 1s -0.016446 0.000212 0.004359 -0.003368 0.002921 0.003019 10H 2s -0.025745 0.000793 0.005373 -0.004688 0.004442 0.004601 10H 3s -0.003901 0.006337 0.024990 -0.019642 0.004289 0.002683 10H 1pz -0.000214 0.000438 -0.000852 0.000625 -0.000748 0.000359 10H 1px 0.001452 0.000177 -0.000003 0.000050 -0.000548 -0.000044 10H 1py -0.000319 -0.000414 -0.000362 0.000225 -0.000503 -0.000663 11H 1s 0.005310 -0.001903 0.004333 -0.004172 0.003063 -0.016530 11H 2s 0.008813 -0.002084 0.003594 -0.005045 0.003695 -0.029387 11H 3s 0.010585 0.009186 0.002780 -0.005709 0.007670 -0.028610 11H 1pz 0.000697 0.000257 -0.000956 0.000561 -0.000702 -0.000203 11H 1px -0.000556 -0.000471 -0.000339 0.000190 -0.000152 -0.000831 11H 1py -0.000571 0.000149 -0.001042 0.000778 -0.000623 0.000502 12H 1s 0.012007 0.001434 0.004817 -0.002631 0.002714 0.013624 12H 2s 0.019415 0.000842 0.005659 -0.002076 0.003830 0.022305 12H 3s -0.003655 -0.017251 0.010840 -0.006320 0.005407 0.019975 12H 1pz -0.000699 -0.000431 -0.001108 0.000892 -0.000904 -0.000388 12H 1px 0.000039 0.000271 -0.000525 0.000485 -0.000175 0.000714 12H 1py 0.001142 0.000057 -0.000294 0.000330 -0.000238 0.000186 13H 1s 0.025704 0.000218 0.002912 0.003710 0.002587 -0.004731 13H 2s 0.040655 0.001256 0.003774 0.004758 0.004011 -0.007235 13H 3s 0.017736 0.010766 0.018299 0.023340 0.005361 -0.005843 13H 1pz 0.001356 -0.000337 -0.000218 -0.000302 -0.000201 0.000441 13H 1px -0.001700 -0.000068 -0.000066 -0.000045 -0.000557 0.000455 13H 1py -0.000191 -0.000405 0.000737 0.000838 0.000764 0.000350 14H 1s -0.018869 0.001499 0.002939 0.004845 0.003286 -0.012254 14H 2s -0.030451 0.000970 0.002570 0.005336 0.005244 -0.019731 14H 3s -0.016846 -0.017062 0.009729 0.013821 0.005923 -0.017099 14H 1pz -0.001239 -0.000019 -0.000100 -0.000061 -0.000230 0.000319 14H 1px -0.000822 0.000246 -0.000527 -0.000571 -0.000083 -0.000689 14H 1py -0.000610 0.000498 0.000900 0.001050 0.000992 -0.000170 15H 1s -0.006896 -0.000925 0.004802 0.004587 0.002782 0.017145 15H 2s -0.012356 -0.001098 0.006154 0.003866 0.003696 0.031029 15H 3s 0.000186 0.007295 0.003450 0.000700 0.007409 0.029484 15H 1pz 0.000451 0.000247 -0.000795 -0.000883 -0.000565 -0.000918 15H 1px 0.001033 -0.000465 -0.000457 -0.000670 -0.000347 0.000317 15H 1py 0.000899 -0.000081 0.000532 0.000922 0.000658 -0.000512 16H 1s -0.004256 0.000097 0.008063 -0.006767 -0.008143 -0.000282 16H 2s -0.004432 0.000186 0.013526 -0.012554 -0.017952 -0.003507 16H 3s 0.002227 0.000413 0.006166 -0.003428 -0.022347 -0.001394 16H 1pz -0.000782 0.000112 -0.000142 -0.001281 0.000799 -0.000261 16H 1px 0.000226 0.000022 0.001159 -0.000087 -0.005916 0.000146 16H 1py 0.001039 -0.000056 0.000601 0.001930 -0.002721 -0.000264 17H 1s -0.005469 -0.000016 -0.007710 -0.007316 -0.008544 -0.000440 17H 2s -0.005495 -0.000168 -0.012898 -0.013373 -0.018228 -0.005174 17H 3s 0.004494 0.000776 -0.004559 -0.003970 -0.022370 -0.003256 17H 1pz 0.000724 0.000082 0.000387 0.001308 0.002848 0.000092 17H 1px 0.000594 0.000015 -0.001154 0.000770 -0.005218 0.000495 17H 1py 0.000822 -0.000051 -0.000786 0.001767 -0.002950 -0.000302 18H 1s -0.005382 0.000083 0.007932 0.007145 -0.008406 -0.000432 18H 2s -0.005401 0.000229 0.013159 0.013092 -0.018073 -0.005372 18H 3s 0.004268 -0.000837 0.004665 0.003858 -0.022119 -0.003491 18H 1pz -0.000693 0.000091 0.000443 0.001275 -0.002880 -0.000104 18H 1px -0.000600 0.000020 -0.001190 0.000769 0.005173 -0.000536 18H 1py -0.000857 -0.000048 -0.000761 0.001810 0.002912 0.000298 19H 1s -0.004371 -0.000066 -0.007845 0.006984 -0.008150 -0.000295 19H 2s -0.004597 -0.000166 -0.013211 0.012860 -0.018048 -0.003247 19H 3s 0.002410 -0.000422 -0.005981 0.003548 -0.022382 -0.001128 19H 1pz 0.000826 0.000102 -0.000163 -0.001308 -0.000826 0.000223 19H 1px -0.000209 0.000024 0.001104 -0.000139 0.005879 -0.000117 19H 1py -0.001018 -0.000048 0.000637 0.001878 0.002755 0.000263 20H 1s -0.007115 0.001029 -0.004806 -0.004564 0.002741 0.017126 20H 2s -0.012726 0.001268 -0.006142 -0.003824 0.003631 0.030975 20H 3s 0.000058 -0.007469 -0.003574 -0.000752 0.007291 0.029341 20H 1pz -0.000475 0.000256 -0.000796 -0.000882 0.000562 0.000920 20H 1px -0.001024 -0.000451 -0.000460 -0.000673 0.000341 -0.000329 20H 1py -0.000912 -0.000072 0.000538 0.000922 -0.000657 0.000504 21H 1s -0.018740 -0.001302 -0.002959 -0.004852 0.003192 -0.012344 21H 2s -0.030264 -0.000647 -0.002574 -0.005344 0.005096 -0.019921 21H 3s -0.016611 0.017192 -0.009571 -0.013658 0.005737 -0.017179 21H 1pz 0.001251 -0.000038 -0.000105 -0.000063 0.000231 -0.000308 21H 1px 0.000801 0.000240 -0.000529 -0.000571 0.000085 0.000697 21H 1py 0.000613 0.000487 0.000910 0.001054 -0.000984 0.000176 22H 1s 0.025750 -0.000509 -0.002958 -0.003739 0.002665 -0.004592 22H 2s 0.040714 -0.001685 -0.003858 -0.004822 0.004139 -0.007014 22H 3s 0.017536 -0.010685 -0.018456 -0.023492 0.005271 -0.005663 22H 1pz -0.001345 -0.000329 -0.000221 -0.000304 0.000197 -0.000447 22H 1px 0.001718 -0.000090 -0.000073 -0.000050 0.000566 -0.000445 22H 1py 0.000202 -0.000405 0.000737 0.000834 -0.000757 -0.000355 23H 1s 0.011876 -0.001537 -0.004853 0.002662 0.002638 0.013781 23H 2s 0.019278 -0.001019 -0.005696 0.002089 0.003687 0.022645 23H 3s -0.003491 0.017247 -0.010604 0.006079 0.005300 0.020327 23H 1pz 0.000691 -0.000436 -0.001121 0.000897 0.000894 0.000398 23H 1px -0.000010 0.000283 -0.000526 0.000483 0.000176 -0.000707 23H 1py -0.001143 0.000065 -0.000300 0.000338 0.000247 -0.000209 24H 1s 0.005565 0.001933 -0.004340 0.004131 0.003003 -0.016457 24H 2s 0.009206 0.002117 -0.003588 0.004942 0.003596 -0.029183 24H 3s 0.010943 -0.009767 -0.003015 0.005730 0.007499 -0.028293 24H 1pz -0.000704 0.000263 -0.000952 0.000557 0.000699 0.000185 24H 1px 0.000525 -0.000480 -0.000345 0.000197 0.000147 0.000840 24H 1py 0.000581 0.000158 -0.001051 0.000779 0.000622 -0.000483 25H 1s -0.016548 -0.000137 -0.004390 0.003382 0.003009 0.002773 25H 2s -0.025900 -0.000640 -0.005464 0.004739 0.004587 0.004228 25H 3s -0.004297 -0.005883 -0.025176 0.019743 0.004234 0.002457 25H 1pz 0.000232 0.000438 -0.000846 0.000614 0.000738 -0.000361 25H 1px -0.001454 0.000185 -0.000008 0.000049 0.000555 0.000022 25H 1py 0.000296 -0.000427 -0.000376 0.000234 0.000513 0.000662 26O 1s -0.000135 -0.000085 -0.003453 0.002415 0.001199 -0.000044 26O 2s -0.000291 -0.000191 -0.008380 0.005844 0.002888 -0.000107 26O 3s 0.000156 0.000101 0.013223 -0.008923 -0.004728 0.000199 26O 4s 0.004153 0.001539 0.022786 -0.018196 -0.005420 -0.000006 26O 5s -0.034211 -0.003905 -0.005821 0.016332 -0.006543 0.000066 26O 1pz -0.052434 0.087431 -0.089810 0.067072 -0.017108 -0.015412 26O 1px 0.077720 0.051510 0.017533 -0.011158 -0.024832 -0.010537 26O 1py -0.102361 -0.138748 -0.048300 0.036680 -0.017397 0.025625 26O 2pz -0.045769 0.074182 -0.076035 0.055889 -0.014888 -0.014154 26O 2px 0.066582 0.043609 0.013645 -0.009401 -0.020909 -0.009535 26O 2py -0.086404 -0.117140 -0.040654 0.032050 -0.015246 0.023627 26O 3pz -0.037641 0.053052 -0.069863 0.059178 -0.019323 -0.002364 26O 3px 0.052877 0.032752 0.007989 -0.004669 -0.024283 -0.001885 26O 3py -0.065293 -0.086871 -0.044738 0.025639 -0.016218 0.004578 26O 1dz2 0.000116 -0.000023 0.000506 -0.000420 -0.000399 0.000707 26O 1dxz 0.000544 -0.001046 0.000605 -0.000296 0.000621 0.001030 26O 1dyz 0.000351 -0.000268 0.000530 -0.000344 0.000198 -0.000131 26O 1dx2y2 -0.001239 -0.001270 -0.000675 0.000646 0.000274 0.001387 26O 1dxy 0.000849 0.001353 -0.000274 -0.000044 0.000714 -0.000929 26O 2dz2 -0.000951 0.001116 0.000497 -0.000451 -0.001762 0.004073 26O 2dxz 0.001376 -0.002185 -0.000035 0.000880 0.001952 0.003980 26O 2dyz -0.002756 -0.001592 -0.000713 0.001071 0.000800 -0.001307 26O 2dx2y2 -0.002321 -0.002307 -0.000500 0.001341 0.001198 0.005599 26O 2dxy 0.001733 0.003789 -0.002035 0.000515 0.002510 -0.002716 26O 1f0 -0.000077 -0.000072 0.000539 -0.000592 0.000079 0.000962 26O 1f+1 -0.000148 0.000396 -0.000668 0.000679 0.000575 0.000259 26O 1f-1 -0.000130 0.000565 -0.000053 0.000136 0.000427 -0.000147 26O 1f+2 0.000567 0.000830 -0.000206 0.000191 -0.000390 0.000149 26O 1f-2 -0.000175 0.000230 -0.001150 0.000749 0.000193 -0.000014 26O 1f+3 -0.000773 -0.001140 -0.000726 0.000421 0.000202 0.000760 26O 1f-3 -0.000064 0.000202 0.000032 -0.000088 0.000505 -0.000544 27O 1s -0.000068 -0.000118 -0.002713 -0.003286 0.000576 -0.000026 27O 2s -0.000229 -0.000289 -0.006593 -0.007975 0.001380 -0.000066 27O 3s 0.000930 0.000454 0.010534 0.012594 -0.002442 0.000110 27O 4s -0.004337 0.000909 0.017630 0.022198 -0.002149 0.000252 27O 5s 0.048507 -0.000132 -0.010774 -0.013813 0.017074 0.002605 27O 1pz 0.062125 -0.142803 -0.046416 -0.063112 -0.011163 -0.024488 27O 1px -0.072163 -0.029259 0.003376 0.005003 -0.019441 -0.004000 27O 1py -0.155888 -0.094715 0.069729 0.086281 0.025484 -0.016453 27O 2pz 0.054269 -0.120729 -0.040065 -0.052774 -0.010070 -0.022615 27O 2px -0.062840 -0.025012 0.002441 0.003954 -0.020074 -0.003997 27O 2py -0.132902 -0.080167 0.058403 0.073445 0.023228 -0.014911 27O 3pz 0.043602 -0.088726 -0.031254 -0.052988 -0.003072 -0.003635 27O 3px -0.047044 -0.019261 0.000122 -0.003484 -0.023688 -0.001520 27O 3py -0.104456 -0.057951 0.059489 0.067515 0.017886 -0.002765 27O 1dz2 -0.000005 -0.000241 0.000071 0.000219 -0.000358 0.000489 27O 1dxz -0.000765 0.001686 0.000613 0.000504 0.000315 0.001507 27O 1dyz -0.000199 -0.000298 -0.000196 -0.000233 0.000115 -0.000614 27O 1dx2y2 0.000983 0.000622 -0.000642 -0.000874 0.000315 0.000821 27O 1dxy 0.001679 0.001057 -0.000296 -0.000592 -0.000714 0.000841 27O 2dz2 -0.001621 -0.002205 0.000839 0.001511 -0.001756 0.003247 27O 2dxz -0.001007 0.004059 0.000825 -0.000504 0.000387 0.005529 27O 2dyz -0.004802 -0.000302 0.000506 0.000860 0.000055 -0.002812 27O 2dx2y2 -0.000302 0.000797 -0.001013 -0.001712 0.002568 0.003915 27O 2dxy 0.002512 0.003156 0.001428 0.000674 -0.002656 0.002598 27O 1f0 -0.000243 0.000810 0.000268 0.000528 -0.000202 0.000637 27O 1f+1 0.000290 -0.000190 0.000071 -0.000140 0.000380 0.000399 27O 1f-1 0.000037 0.000557 -0.000156 -0.000377 -0.000077 -0.000647 27O 1f+2 -0.000571 -0.000807 -0.000352 -0.000518 -0.000128 -0.000521 27O 1f-2 -0.000390 0.000756 0.000469 0.000704 -0.000428 0.000047 27O 1f+3 0.001067 0.000805 -0.000869 -0.000848 0.000659 0.000213 27O 1f-3 0.000051 0.000483 -0.000665 -0.000776 -0.000386 0.000750 28O 1s -0.000045 0.000038 -0.003364 0.002530 0.000567 0.000002 28O 2s -0.000159 0.000100 -0.008189 0.006146 0.001363 -0.000002 28O 3s 0.000789 -0.000235 0.013311 -0.009814 -0.002456 0.000118 28O 4s -0.003475 -0.000255 0.020312 -0.016203 -0.001748 -0.000576 28O 5s 0.031384 0.000139 -0.002016 0.007323 0.016076 -0.000543 28O 1pz 0.006250 -0.087456 -0.068138 0.056024 -0.026758 -0.017396 28O 1px 0.054553 -0.056367 -0.050389 0.042762 0.008303 -0.010521 28O 1py 0.127649 0.143199 -0.063835 0.046711 -0.015698 0.026014 28O 2pz 0.005631 -0.074171 -0.058807 0.047022 -0.025467 -0.015885 28O 2px 0.047280 -0.047886 -0.042203 0.035628 0.009183 -0.009922 28O 2py 0.108245 0.121325 -0.053801 0.040494 -0.014207 0.023804 28O 3pz 0.008256 -0.052699 -0.054922 0.051833 -0.023285 -0.003734 28O 3px 0.038503 -0.034585 -0.032877 0.031817 0.015551 -0.002167 28O 3py 0.082075 0.087869 -0.052783 0.032757 -0.012449 0.005393 28O 1dz2 -0.000294 0.001105 0.000641 -0.000417 0.000356 0.001443 28O 1dxz -0.000131 -0.000328 0.000447 -0.000473 -0.000656 -0.000023 28O 1dyz -0.000870 -0.001044 0.000437 -0.000437 0.000248 -0.001042 28O 1dx2y2 0.000582 -0.000430 -0.000812 0.000543 0.000006 0.000138 28O 1dxy 0.001223 0.001459 -0.000144 0.000302 -0.000414 0.001069 28O 2dz2 0.000517 0.001918 -0.000104 0.000698 0.001371 0.006117 28O 2dxz -0.000026 -0.002085 0.001527 -0.001718 -0.003296 0.000653 28O 2dyz 0.000824 -0.002015 -0.001237 0.000245 0.001037 -0.004177 28O 2dx2y2 0.000304 -0.002364 -0.001429 0.000794 0.001230 0.001734 28O 2dxy 0.004064 0.004074 0.000573 0.000652 -0.001425 0.003486 28O 1f0 -0.000285 -0.001084 -0.000662 0.000681 0.000334 0.000312 28O 1f+1 0.000493 0.000783 0.000595 -0.000628 0.000370 0.000858 28O 1f-1 0.000619 0.000165 -0.000731 0.000462 0.000400 0.000261 28O 1f+2 -0.000606 -0.000326 0.000498 -0.000502 -0.000666 0.000430 28O 1f-2 -0.000400 -0.001032 0.000772 -0.000526 0.000124 -0.000480 28O 1f+3 -0.000146 -0.000114 0.000634 -0.000281 -0.000165 -0.000042 28O 1f-3 -0.000261 -0.000653 0.000080 -0.000017 0.000293 -0.000759 29O 1s -0.001830 -0.000010 -0.000015 -0.002183 -0.008086 -0.000242 29O 2s -0.004382 -0.000022 -0.000034 -0.005271 -0.019650 -0.000602 29O 3s 0.006498 0.000017 0.000033 0.008402 0.032802 0.001052 29O 4s 0.012683 0.000207 0.000298 0.011890 0.039731 0.000284 29O 5s 0.001929 -0.000607 -0.001370 0.017465 0.062002 0.009227 29O 1pz -0.001805 -0.000070 -0.015100 -0.003115 0.047308 0.000508 29O 1px 0.009538 -0.000619 -0.007746 0.019884 -0.142353 -0.000903 29O 1py 0.037518 -0.000548 -0.000793 0.051253 -0.051861 0.000740 29O 2pz -0.001561 0.000045 -0.013623 -0.002793 0.039739 0.000343 29O 2px 0.008669 -0.000435 -0.006802 0.016707 -0.119930 -0.000511 29O 2py 0.030999 -0.000541 -0.000593 0.043003 -0.044713 0.000208 29O 3pz -0.001839 -0.000084 0.004322 -0.005005 0.034966 0.000727 29O 3px 0.005473 -0.000456 -0.000537 0.020865 -0.108298 0.001088 29O 3py 0.027256 -0.000145 -0.001253 0.025484 -0.046868 -0.002898 29O 1dz2 0.000097 0.000006 0.000520 0.000007 0.000348 -0.000013 29O 1dxz -0.000068 -0.000001 -0.000568 -0.000149 0.001046 -0.000027 29O 1dyz -0.000135 0.000009 0.000480 -0.000222 -0.000158 0.000004 29O 1dx2y2 0.000250 -0.000012 -0.000244 0.000482 -0.001977 0.000010 29O 1dxy 0.000356 -0.000003 0.000228 0.000579 0.000691 0.000058 29O 2dz2 0.000527 -0.000019 0.002466 0.000468 0.000118 -0.000468 29O 2dxz -0.000324 -0.000001 -0.003295 -0.000019 0.002721 -0.000049 29O 2dyz -0.000439 -0.000044 0.000746 -0.001317 -0.001351 0.000217 29O 2dx2y2 0.001322 -0.000004 -0.001361 0.001200 -0.004709 -0.000682 29O 2dxy 0.001269 0.000006 0.000626 0.003284 0.004661 -0.000160 29O 1f0 -0.000030 -0.000005 -0.000163 -0.000059 0.000686 -0.000108 29O 1f+1 0.000092 -0.000007 -0.000402 0.000195 -0.000728 0.000088 29O 1f-1 0.000273 0.000000 -0.000187 0.000433 -0.000579 -0.000004 29O 1f+2 -0.000033 0.000001 0.000245 -0.000075 -0.000359 0.000039 29O 1f-2 0.000209 -0.000008 0.000279 0.000395 -0.000683 -0.000082 29O 1f+3 -0.000311 0.000007 -0.000164 -0.000493 0.000244 -0.000071 29O 1f-3 0.000045 0.000002 -0.000120 0.000319 -0.000943 -0.000018 30O 1s 0.000088 0.000050 -0.002692 -0.003057 0.001203 0.000038 30O 2s 0.000257 0.000094 -0.006538 -0.007434 0.002904 0.000084 30O 3s -0.000780 0.000191 0.010380 0.011937 -0.004851 -0.000071 30O 4s 0.003816 -0.001773 0.017322 0.019632 -0.005298 -0.000478 30O 5s -0.050422 0.005721 -0.004285 -0.008649 -0.003182 0.003461 30O 1pz 0.006174 0.143506 -0.029724 -0.038205 -0.019956 -0.028276 30O 1px -0.139179 0.026117 -0.050489 -0.059518 0.014717 -0.005098 30O 1py 0.119665 0.101752 0.057373 0.069361 0.023657 -0.019789 30O 2pz 0.004638 0.121320 -0.026469 -0.031845 -0.016964 -0.025929 30O 2px -0.120127 0.022176 -0.042311 -0.050081 0.012478 -0.004547 30O 2py 0.101545 0.086326 0.048263 0.059102 0.020459 -0.017763 30O 3pz 0.000545 0.088143 -0.019727 -0.036525 -0.022819 -0.007021 30O 3px -0.096394 0.016745 -0.035615 -0.045867 0.012384 0.000053 30O 3py 0.081887 0.062237 0.050728 0.056536 0.025100 -0.004521 30O 1dz2 0.000257 -0.001446 0.000289 0.000108 0.000067 0.001693 30O 1dxz 0.000719 0.001112 0.000331 0.000631 -0.000482 -0.000516 30O 1dyz -0.000742 0.000196 -0.000223 -0.000290 -0.000588 -0.000543 30O 1dx2y2 -0.001861 -0.000374 -0.000679 -0.000813 -0.000252 0.000684 30O 1dxy 0.000414 0.001165 -0.000466 -0.000349 0.000709 -0.000715 30O 2dz2 0.002163 -0.002534 0.001047 0.000070 0.000029 0.006993 30O 2dxz 0.000464 0.004015 0.000214 0.001640 -0.002230 -0.000915 30O 2dyz 0.002355 0.000082 0.001099 0.001729 -0.002212 -0.002652 30O 2dx2y2 -0.002713 -0.000027 -0.000181 -0.000290 -0.000802 0.003330 30O 2dxy 0.004063 0.003089 -0.001339 -0.000586 0.002459 -0.001976 30O 1f0 0.000298 0.000378 0.000106 -0.000075 0.000059 -0.000025 30O 1f+1 -0.000167 -0.000881 0.000033 0.000191 0.000174 0.001025 30O 1f-1 -0.000173 -0.001316 0.000384 0.000543 -0.000074 -0.000221 30O 1f+2 0.000801 0.000310 0.000784 0.001134 -0.000459 -0.000207 30O 1f-2 0.000434 0.000080 -0.000203 -0.000371 -0.000547 -0.000397 30O 1f+3 -0.000071 0.000522 0.000621 0.000502 0.000318 -0.000549 30O 1f-3 0.000492 -0.000093 0.000719 0.000847 -0.000609 0.000540 31O 1s 0.000090 -0.000056 0.002698 0.003064 0.001236 0.000038 31O 2s 0.000263 -0.000109 0.006551 0.007452 0.002982 0.000086 31O 3s -0.000798 -0.000158 -0.010402 -0.011966 -0.004960 -0.000071 31O 4s 0.003844 0.001716 -0.017350 -0.019667 -0.005577 -0.000489 31O 5s -0.050450 -0.004951 0.004171 0.008485 -0.003359 0.003457 31O 1pz -0.004884 0.143162 -0.029888 -0.038233 0.019961 0.028736 31O 1px 0.139337 0.024621 -0.050691 -0.059837 -0.014481 0.005259 31O 1py -0.118596 0.102778 0.057630 0.069528 -0.023726 0.019880 31O 2pz -0.003558 0.121027 -0.026610 -0.031878 0.016958 0.026327 31O 2px 0.120261 0.020875 -0.042479 -0.050342 -0.012263 0.004685 31O 2py -0.100641 0.087200 0.048497 0.059266 -0.020529 0.017835 31O 3pz 0.000335 0.087847 -0.019930 -0.036590 0.022700 0.007317 31O 3px 0.096478 0.015731 -0.035711 -0.046050 -0.012136 0.000034 31O 3py -0.081306 0.063002 0.050940 0.056635 -0.024839 0.004521 31O 1dz2 0.000269 0.001440 -0.000290 -0.000108 0.000069 0.001698 31O 1dxz 0.000708 -0.001117 -0.000330 -0.000634 -0.000483 -0.000518 31O 1dyz -0.000743 -0.000186 0.000226 0.000289 -0.000593 -0.000546 31O 1dx2y2 -0.001856 0.000394 0.000683 0.000816 -0.000255 0.000683 31O 1dxy 0.000403 -0.001166 0.000463 0.000351 0.000713 -0.000718 31O 2dz2 0.002190 0.002506 -0.001052 -0.000069 0.000031 0.007009 31O 2dxz 0.000430 -0.004003 -0.000207 -0.001642 -0.002225 -0.000920 31O 2dyz 0.002346 -0.000100 -0.001087 -0.001733 -0.002225 -0.002656 31O 2dx2y2 -0.002702 0.000045 0.000191 0.000296 -0.000831 0.003337 31O 2dxy 0.004041 -0.003128 0.001328 0.000581 0.002461 -0.001983 31O 1f0 -0.000295 0.000381 0.000106 -0.000074 -0.000058 0.000026 31O 1f+1 0.000158 -0.000880 0.000034 0.000190 -0.000175 -0.001028 31O 1f-1 0.000160 -0.001315 0.000384 0.000544 0.000075 0.000219 31O 1f+2 -0.000798 0.000318 0.000783 0.001136 0.000464 0.000207 31O 1f-2 -0.000434 0.000085 -0.000206 -0.000371 0.000547 0.000400 31O 1f+3 0.000077 0.000519 0.000624 0.000503 -0.000316 0.000549 31O 1f-3 -0.000492 -0.000089 0.000717 0.000848 0.000613 -0.000543 32O 1s -0.001834 0.000028 0.000116 0.002200 -0.008037 -0.000242 32O 2s -0.004390 0.000068 0.000280 0.005311 -0.019529 -0.000601 32O 3s 0.006504 -0.000083 -0.000437 -0.008463 0.032604 0.001050 32O 4s 0.012723 -0.000341 -0.000834 -0.011993 0.039417 0.000292 32O 5s 0.001974 0.000594 0.000814 -0.017509 0.061831 0.009152 32O 1pz 0.002361 -0.000115 -0.014867 -0.003699 -0.047760 -0.000583 32O 1px -0.009471 -0.000534 -0.008238 0.019357 0.141595 0.000861 32O 1py -0.037693 -0.000157 -0.000371 0.051237 0.051853 -0.000768 32O 2pz 0.002059 0.000009 -0.013429 -0.003265 -0.040176 -0.000445 32O 2px -0.008607 -0.000352 -0.007217 0.016282 0.119277 0.000463 32O 2py -0.031147 -0.000219 -0.000251 0.042986 0.044728 -0.000232 32O 3pz 0.002164 -0.000133 0.004442 -0.005437 -0.035274 -0.001201 32O 3px -0.005461 -0.000425 -0.000918 0.020438 0.107754 -0.001256 32O 3py -0.027328 0.000165 -0.000791 0.025486 0.046854 0.002844 32O 1dz2 0.000094 -0.000007 -0.000500 -0.000002 0.000360 -0.000012 32O 1dxz -0.000066 0.000003 0.000576 0.000140 0.001023 -0.000029 32O 1dyz -0.000128 -0.000008 -0.000484 0.000219 -0.000185 0.000008 32O 1dx2y2 0.000253 0.000010 0.000258 -0.000480 -0.001980 0.000009 32O 1dxy 0.000358 -0.000001 -0.000225 -0.000583 0.000674 0.000059 32O 2dz2 0.000527 0.000008 -0.002410 -0.000452 0.000168 -0.000485 32O 2dxz -0.000323 0.000006 0.003331 -0.000010 0.002611 -0.000028 32O 2dyz -0.000407 0.000046 -0.000750 0.001293 -0.001399 0.000172 32O 2dx2y2 0.001327 -0.000012 0.001373 -0.001201 -0.004722 -0.000669 32O 2dxy 0.001269 -0.000022 -0.000650 -0.003293 0.004632 -0.000174 32O 1f0 0.000042 -0.000007 -0.000152 -0.000074 -0.000705 0.000103 32O 1f+1 -0.000088 -0.000005 -0.000409 0.000187 0.000703 -0.000094 32O 1f-1 -0.000275 0.000002 -0.000180 0.000437 0.000565 0.000004 32O 1f+2 0.000043 0.000001 0.000243 -0.000092 0.000352 -0.000038 32O 1f-2 -0.000214 -0.000006 0.000282 0.000399 0.000712 0.000083 32O 1f+3 0.000307 0.000003 -0.000163 -0.000487 -0.000248 0.000071 32O 1f-3 -0.000042 0.000002 -0.000129 0.000313 0.000924 0.000017 33O 1s -0.000026 -0.000038 0.003361 -0.002530 0.000600 0.000008 33O 2s -0.000114 -0.000100 0.008183 -0.006148 0.001442 0.000011 33O 3s 0.000719 0.000236 -0.013304 0.009823 -0.002570 0.000093 33O 4s -0.003572 0.000243 -0.020290 0.016172 -0.002015 -0.000581 33O 5s 0.031185 -0.000109 0.001971 -0.007422 0.016127 -0.000478 33O 1pz -0.007080 -0.088475 -0.068318 0.055963 0.026823 0.017516 33O 1px -0.055594 -0.056522 -0.050348 0.042693 -0.008130 0.010632 33O 1py -0.126460 0.144831 -0.064179 0.046846 0.015854 -0.026340 33O 2pz -0.006339 -0.075043 -0.058974 0.046954 0.025538 0.016000 33O 2px -0.048154 -0.048009 -0.042167 0.035597 -0.009049 0.010009 33O 2py -0.107243 0.122707 -0.054090 0.040589 0.014362 -0.024077 33O 3pz -0.008796 -0.053236 -0.055048 0.051742 0.023127 0.003884 33O 3px -0.039164 -0.034630 -0.032826 0.031812 -0.015392 0.002137 33O 3py -0.081266 0.088805 -0.053059 0.032927 0.012376 -0.005581 33O 1dz2 -0.000305 -0.001116 -0.000643 0.000418 0.000360 0.001448 33O 1dxz -0.000133 0.000336 -0.000441 0.000471 -0.000659 -0.000025 33O 1dyz -0.000857 0.001053 -0.000441 0.000437 0.000250 -0.001041 33O 1dx2y2 0.000592 0.000430 0.000813 -0.000542 0.000006 0.000137 33O 1dxy 0.001212 -0.001478 0.000150 -0.000303 -0.000418 0.001073 33O 2dz2 0.000490 -0.001933 0.000095 -0.000696 0.001385 0.006138 33O 2dxz -0.000012 0.002119 -0.001504 0.001728 -0.003314 0.000642 33O 2dyz 0.000849 0.002030 0.001229 -0.000249 0.001058 -0.004173 33O 2dx2y2 0.000344 0.002378 0.001430 -0.000795 0.001231 0.001731 33O 2dxy 0.004028 -0.004127 -0.000557 -0.000650 -0.001446 0.003497 33O 1f0 0.000274 -0.001094 -0.000658 0.000679 -0.000337 -0.000311 33O 1f+1 -0.000487 0.000795 0.000597 -0.000628 -0.000369 -0.000863 33O 1f-1 -0.000617 0.000164 -0.000730 0.000464 -0.000404 -0.000261 33O 1f+2 0.000608 -0.000335 0.000494 -0.000503 0.000670 -0.000428 33O 1f-2 0.000387 -0.001040 0.000774 -0.000526 -0.000122 0.000479 33O 1f+3 0.000147 -0.000117 0.000635 -0.000282 0.000169 0.000043 33O 1f-3 0.000255 -0.000662 0.000082 -0.000016 -0.000295 0.000762 34O 1s -0.000051 0.000124 0.002703 0.003277 0.000574 -0.000028 34O 2s -0.000187 0.000305 0.006567 0.007953 0.001374 -0.000071 34O 3s 0.000861 -0.000489 -0.010489 -0.012560 -0.002419 0.000122 34O 4s -0.004432 -0.000853 -0.017591 -0.022146 -0.002203 0.000257 34O 5s 0.048561 -0.000597 0.010814 0.013855 0.017343 0.002415 34O 1pz -0.063657 -0.141640 -0.046279 -0.062850 0.010443 0.024278 34O 1px 0.071928 -0.029937 0.003070 0.004793 0.019670 0.003963 34O 1py 0.155037 -0.096113 0.069825 0.086197 -0.024444 0.016065 34O 2pz -0.055555 -0.119720 -0.039948 -0.052544 0.009442 0.022446 34O 2px 0.062657 -0.025616 0.002171 0.003778 0.020264 0.003944 34O 2py 0.132176 -0.081358 0.058487 0.073371 -0.022350 0.014588 34O 3pz -0.044592 -0.087943 -0.031182 -0.052828 0.002640 0.003487 34O 3px 0.046937 -0.019655 -0.000147 -0.003638 0.023748 0.001434 34O 3py 0.103870 -0.058958 0.059563 0.067454 -0.017044 0.002463 34O 1dz2 -0.000003 0.000241 -0.000066 -0.000216 -0.000357 0.000486 34O 1dxz -0.000783 -0.001671 -0.000613 -0.000500 0.000306 0.001504 34O 1dyz -0.000197 0.000299 0.000195 0.000232 0.000117 -0.000614 34O 1dx2y2 0.000979 -0.000631 0.000636 0.000870 0.000324 0.000819 34O 1dxy 0.001668 -0.001073 0.000302 0.000595 -0.000704 0.000836 34O 2dz2 -0.001609 0.002214 -0.000822 -0.001504 -0.001766 0.003254 34O 2dxz -0.001052 -0.004041 -0.000822 0.000515 0.000365 0.005516 34O 2dyz -0.004798 0.000354 -0.000506 -0.000859 0.000053 -0.002807 34O 2dx2y2 -0.000305 -0.000783 0.000988 0.001699 0.002584 0.003898 34O 2dxy 0.002476 -0.003175 -0.001405 -0.000665 -0.002644 0.002597 34O 1f0 0.000253 0.000803 0.000265 0.000526 0.000204 -0.000635 34O 1f+1 -0.000292 -0.000186 0.000075 -0.000139 -0.000380 -0.000399 34O 1f-1 -0.000031 0.000555 -0.000156 -0.000376 0.000074 0.000647 34O 1f+2 0.000562 -0.000811 -0.000352 -0.000517 0.000124 0.000520 34O 1f-2 0.000398 0.000750 0.000465 0.000702 0.000431 -0.000047 34O 1f+3 -0.001060 0.000814 -0.000864 -0.000847 -0.000666 -0.000210 34O 1f-3 -0.000046 0.000481 -0.000668 -0.000776 0.000379 -0.000747 35O 1s -0.000150 0.000085 0.003462 -0.002430 0.001189 -0.000037 35O 2s -0.000328 0.000189 0.008403 -0.005882 0.002862 -0.000090 35O 3s 0.000216 -0.000103 -0.013256 0.008983 -0.004670 0.000163 35O 4s 0.004227 -0.001500 -0.022872 0.018289 -0.005444 -0.000008 35O 5s -0.034083 0.003756 0.005783 -0.016235 -0.006258 0.000209 35O 1pz 0.053599 0.088157 -0.089798 0.067116 0.016062 0.015218 35O 1px -0.077637 0.052333 0.017410 -0.011261 0.025129 0.010448 35O 1py 0.101095 -0.140071 -0.048496 0.036659 0.016996 -0.025453 35O 2pz 0.046772 0.074789 -0.076038 0.055932 0.013998 0.014010 35O 2px -0.066513 0.044301 0.013523 -0.009472 0.021158 0.009488 35O 2py 0.085335 -0.118250 -0.040816 0.032027 0.014904 -0.023466 35O 3pz 0.038310 0.053440 -0.069807 0.059109 0.018541 0.002182 35O 3px -0.052797 0.033240 0.007844 -0.004757 0.024394 0.002010 35O 3py 0.064507 -0.087726 -0.044955 0.025632 0.015821 -0.004399 35O 1dz2 0.000116 0.000021 -0.000502 0.000421 -0.000402 0.000708 35O 1dxz 0.000555 0.001055 -0.000607 0.000296 0.000612 0.001030 35O 1dyz 0.000353 0.000271 -0.000530 0.000343 0.000190 -0.000128 35O 1dx2y2 -0.001233 0.001285 0.000675 -0.000647 0.000281 0.001384 35O 1dxy 0.000832 -0.001363 0.000270 0.000040 0.000713 -0.000926 35O 2dz2 -0.000961 -0.001136 -0.000480 0.000452 -0.001767 0.004065 35O 2dxz 0.001411 0.002193 0.000027 -0.000880 0.001924 0.003982 35O 2dyz -0.002756 0.001615 0.000710 -0.001075 0.000794 -0.001289 35O 2dx2y2 -0.002301 0.002334 0.000492 -0.001332 0.001204 0.005600 35O 2dxy 0.001690 -0.003822 0.002014 -0.000526 0.002515 -0.002694 35O 1f0 0.000076 -0.000073 0.000539 -0.000592 -0.000074 -0.000962 35O 1f+1 0.000153 0.000399 -0.000663 0.000679 -0.000579 -0.000259 35O 1f-1 0.000139 0.000571 -0.000051 0.000138 -0.000425 0.000143 35O 1f+2 -0.000560 0.000838 -0.000207 0.000189 0.000387 -0.000147 35O 1f-2 0.000178 0.000235 -0.001149 0.000750 -0.000200 0.000015 35O 1f+3 0.000763 -0.001152 -0.000727 0.000422 -0.000206 -0.000759 35O 1f-3 0.000070 0.000200 0.000035 -0.000086 -0.000505 0.000542 114 115 116 117 118 119 -0.20152 -0.20009 -0.19843 -0.08567 -0.07750 -0.06339 1.00000 1.00000 1.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s 0.000004 0.000024 -0.000126 -0.000588 -0.000002 0.000003 0Rh 2s -0.000009 -0.000117 0.000431 0.001966 0.000017 -0.000019 0Rh 3s 0.000019 0.000067 -0.000465 -0.002200 -0.000003 0.000003 0Rh 4s 0.000036 0.000509 -0.001831 -0.008420 -0.000077 0.000083 0Rh 5s 0.000007 -0.000505 0.001098 0.003625 0.000089 -0.000107 0Rh 6s -0.000161 -0.000464 0.004158 0.027142 0.000053 0.000002 0Rh 7s -0.000197 0.000103 -0.005844 -0.039108 -0.000188 -0.001016 0Rh 8s -0.001910 0.000447 -0.005958 0.024484 -0.001936 0.001808 0Rh 1pz -0.000001 -0.005454 -0.000140 -0.001865 -0.000169 0.000112 0Rh 1px -0.000024 -0.001883 -0.000202 0.005786 -0.000005 0.000055 0Rh 1py 0.000004 0.000204 -0.005621 0.001152 -0.000033 0.000034 0Rh 2pz 0.000003 0.018567 0.000483 0.006356 0.000572 -0.000382 0Rh 2px 0.000085 0.006403 0.000671 -0.019725 0.000017 -0.000187 0Rh 2py -0.000016 -0.000697 0.019130 -0.003944 0.000108 -0.000113 0Rh 3pz -0.000026 -0.015699 -0.000502 -0.005494 -0.000403 0.000330 0Rh 3px -0.000119 -0.005366 -0.000290 0.017225 -0.000007 0.000165 0Rh 3py 0.000051 0.000612 -0.016129 0.003735 -0.000007 0.000085 0Rh 4pz 0.000021 -0.023693 -0.000352 -0.007635 -0.000988 0.000420 0Rh 4px 0.000025 -0.008225 -0.001665 0.022875 -0.000057 0.000223 0Rh 4py -0.000118 0.000817 -0.024523 0.003549 -0.000387 0.000131 0Rh 5pz 0.000156 0.000231 -0.000323 -0.000357 0.000486 0.000150 0Rh 5px -0.000146 0.000102 0.001138 0.002861 0.000070 0.000020 0Rh 5py 0.000168 0.000122 0.000662 0.002592 0.000198 0.000242 0Rh 6pz -0.003486 0.086383 0.006003 0.006269 -0.004599 -0.001227 0Rh 6px 0.000606 0.026749 -0.011893 -0.032633 0.000126 0.000330 0Rh 6py 0.000658 -0.004803 0.074772 -0.026646 -0.000187 -0.007128 0Rh 1dz2 -0.113591 0.085567 0.006825 -0.064607 -0.060170 0.056403 0Rh 1dxz -0.053228 -0.138558 -0.024600 -0.087716 0.004372 -0.005607 0Rh 1dyz 0.059800 -0.030753 0.047408 -0.014756 -0.146196 0.140447 0Rh 1dx2y2 -0.081339 -0.051735 0.058758 0.132320 -0.021304 0.020801 0Rh 1dxy -0.006929 -0.003485 -0.154448 0.049450 -0.056671 0.054195 0Rh 2dz2 0.003710 -0.002812 -0.000259 0.002190 0.002076 -0.001939 0Rh 2dxz 0.001793 0.004680 0.000810 0.002996 -0.000122 0.000160 0Rh 2dyz -0.001963 0.001051 -0.001625 0.000505 0.005092 -0.004879 0Rh 2dx2y2 0.002630 0.001729 -0.001935 -0.004421 0.000760 -0.000737 0Rh 2dxy 0.000228 0.000126 0.005267 -0.001726 0.001970 -0.001897 0Rh 3dz2 0.168868 -0.126948 -0.010086 0.097109 0.090370 -0.085042 0Rh 3dxz 0.079101 0.205583 0.036576 0.132056 -0.006655 0.008577 0Rh 3dyz -0.088831 0.045512 -0.070309 0.022181 0.219402 -0.211620 0Rh 3dx2y2 0.120987 0.076636 -0.087149 -0.199068 0.031959 -0.031334 0Rh 3dxy 0.010355 0.005156 0.229129 -0.074327 0.085094 -0.081624 0Rh 4dz2 0.223023 -0.167806 -0.013491 0.125594 0.117700 -0.109820 0Rh 4dxz 0.104461 0.271640 0.048060 0.170199 -0.008301 0.010587 0Rh 4dyz -0.117561 0.060609 -0.092935 0.028674 0.286219 -0.273716 0Rh 4dx2y2 0.159423 0.101570 -0.115214 -0.256949 0.041775 -0.040572 0Rh 4dxy 0.013502 0.006876 0.302979 -0.096115 0.110973 -0.105852 0Rh 5dz2 0.148102 -0.113604 -0.008583 0.092192 0.080461 -0.077103 0Rh 5dxz 0.069440 0.183395 0.033234 0.125279 -0.006468 0.008597 0Rh 5dyz -0.077100 0.039953 -0.063102 0.020952 0.194691 -0.191082 0Rh 5dx2y2 0.107165 0.068761 -0.078680 -0.189383 0.028060 -0.028208 0Rh 5dxy 0.009307 0.004496 0.204210 -0.070039 0.075241 -0.072800 0Rh 1f0 -0.000710 -0.001490 0.000907 -0.001722 -0.000747 0.000286 0Rh 1f+1 0.000532 -0.002442 -0.000271 0.001573 0.001039 -0.000464 0Rh 1f-1 0.000408 0.000560 0.000520 0.000431 -0.001051 0.000353 0Rh 1f+2 0.000303 0.000678 0.000643 0.002073 -0.000726 0.000373 0Rh 1f-2 -0.000445 0.000621 -0.000823 0.001026 0.002265 -0.000921 0Rh 1f+3 -0.000755 -0.000614 0.000664 0.002701 -0.000237 0.000113 0Rh 1f-3 -0.000229 -0.000357 -0.002436 0.001930 -0.001163 0.000368 1Rh 1s -0.000005 0.000021 -0.000126 0.000623 0.000005 0.000004 1Rh 2s 0.000010 -0.000106 0.000430 -0.002091 -0.000026 -0.000026 1Rh 3s -0.000020 0.000057 -0.000463 0.002325 0.000011 0.000009 1Rh 4s -0.000042 0.000461 -0.001823 0.008952 0.000116 0.000115 1Rh 5s -0.000004 -0.000468 0.001091 -0.003961 -0.000120 -0.000133 1Rh 6s 0.000177 -0.000382 0.004141 -0.028263 -0.000118 -0.000051 1Rh 7s 0.000171 -0.000114 -0.005792 0.039972 0.000158 -0.001018 1Rh 8s 0.001897 0.000423 -0.006029 -0.023553 0.002171 0.002231 1Rh 1pz 0.000019 0.005457 0.000139 -0.001827 -0.000170 -0.000126 1Rh 1px -0.000017 0.001875 0.000202 0.005657 -0.000007 -0.000051 1Rh 1py 0.000020 -0.000207 0.005623 0.001122 -0.000042 -0.000037 1Rh 2pz -0.000064 -0.018574 -0.000478 0.006226 0.000575 0.000429 1Rh 2px 0.000061 -0.006377 -0.000670 -0.019286 0.000023 0.000176 1Rh 2py -0.000069 0.000706 -0.019135 -0.003843 0.000138 0.000126 1Rh 3pz 0.000032 0.015705 0.000497 -0.005394 -0.000405 -0.000366 1Rh 3px -0.000100 0.005347 0.000289 0.016869 -0.000012 -0.000156 1Rh 3py 0.000099 -0.000621 0.016135 0.003654 -0.000029 -0.000093 1Rh 4pz 0.000108 0.023701 0.000344 -0.007443 -0.000998 -0.000493 1Rh 4px 0.000060 0.008182 0.001665 0.022287 -0.000062 -0.000208 1Rh 4py -0.000063 -0.000827 0.024522 0.003409 -0.000439 -0.000157 1Rh 5pz 0.000145 -0.000233 0.000335 -0.000387 0.000501 -0.000131 1Rh 5px -0.000154 -0.000078 -0.001136 0.002820 0.000060 -0.000023 1Rh 5py 0.000190 -0.000115 -0.000655 0.002597 0.000228 -0.000221 1Rh 6pz -0.003526 -0.086238 -0.006244 0.006805 -0.004616 0.001259 1Rh 6px 0.000628 -0.027131 0.011846 -0.031226 0.000241 -0.000287 1Rh 6py 0.000399 0.004544 -0.074741 -0.026552 -0.000408 0.007058 1Rh 1dz2 0.114125 0.085400 0.006604 0.064893 0.059400 0.057175 1Rh 1dxz 0.053050 -0.138840 -0.024522 0.088074 -0.004295 -0.005615 1Rh 1dyz -0.059903 -0.030676 0.047611 0.014702 0.144454 0.142368 1Rh 1dx2y2 0.081580 -0.051943 0.058627 -0.132982 0.021011 0.020962 1Rh 1dxy 0.006702 -0.003336 -0.154690 -0.049642 0.055947 0.054887 1Rh 2dz2 -0.003730 -0.002807 -0.000252 -0.002202 -0.002051 -0.001967 1Rh 2dxz -0.001787 0.004691 0.000808 -0.003012 0.000120 0.000160 1Rh 2dyz 0.001968 0.001049 -0.001632 -0.000504 -0.005035 -0.004950 1Rh 2dx2y2 -0.002639 0.001736 -0.001932 0.004448 -0.000750 -0.000742 1Rh 2dxy -0.000220 0.000122 0.005277 0.001734 -0.001947 -0.001923 1Rh 3dz2 -0.169651 -0.126698 -0.009758 -0.097523 -0.089204 -0.086198 1Rh 3dxz -0.078836 0.205999 0.036457 -0.132567 0.006537 0.008590 1Rh 3dyz 0.088978 0.045397 -0.070608 -0.022094 -0.216769 -0.214496 1Rh 3dx2y2 -0.121339 0.076946 -0.086949 0.200025 -0.031520 -0.031576 1Rh 3dxy -0.010020 0.004934 0.229487 0.074604 -0.083998 -0.082656 1Rh 4dz2 -0.224064 -0.167476 -0.013060 -0.126125 -0.116196 -0.111327 1Rh 4dxz -0.104102 0.272179 0.047904 -0.170876 0.008153 0.010600 1Rh 4dyz 0.117758 0.060452 -0.093332 -0.028573 -0.282807 -0.277460 1Rh 4dx2y2 -0.159887 0.101969 -0.114952 0.258188 -0.041193 -0.040877 1Rh 4dxy -0.013049 0.006587 0.303439 0.096475 -0.109563 -0.107210 1Rh 5dz2 -0.148866 -0.113389 -0.008288 -0.092703 -0.079441 -0.078154 1Rh 5dxz -0.069249 0.183796 0.033140 -0.125854 0.006352 0.008610 1Rh 5dyz 0.077264 0.039871 -0.063373 -0.020865 -0.192427 -0.193735 1Rh 5dx2y2 -0.107532 0.069047 -0.078526 0.190513 -0.027703 -0.028456 1Rh 5dxy -0.009031 0.004294 0.204552 0.070349 -0.074284 -0.073713 1Rh 1f0 -0.000703 0.001494 -0.000904 -0.001700 -0.000745 -0.000287 1Rh 1f+1 0.000537 0.002431 0.000277 0.001549 0.001030 0.000481 1Rh 1f-1 0.000401 -0.000559 -0.000519 0.000431 -0.001046 -0.000365 1Rh 1f+2 0.000309 -0.000676 -0.000649 0.002035 -0.000728 -0.000376 1Rh 1f-2 -0.000445 -0.000612 0.000811 0.001008 0.002252 0.000952 1Rh 1f+3 -0.000756 0.000601 -0.000651 0.002665 -0.000236 -0.000116 1Rh 1f-3 -0.000224 0.000364 0.002429 0.001904 -0.001155 -0.000383 2C 1s 0.000001 0.000047 0.000140 0.000137 0.000259 -0.008444 2C 2s 0.000003 0.000138 0.000340 0.000313 0.000586 -0.018880 2C 3s 0.000099 -0.000466 -0.001112 -0.000493 -0.001023 0.037162 2C 4s -0.000580 0.001423 0.002850 -0.000103 -0.000709 0.032329 2C 5s -0.007031 -0.024813 -0.027127 -0.023282 -0.020958 0.072175 2C 1pz 0.001921 0.002254 0.000985 0.001962 0.002915 0.040476 2C 1px -0.000200 -0.006414 -0.004967 -0.006749 -0.010726 0.012406 2C 1py -0.002918 -0.000925 -0.001598 -0.001545 -0.002347 0.025731 2C 2pz -0.001428 0.002702 0.002247 0.001501 0.002341 0.035089 2C 2px 0.000380 -0.007613 -0.005402 -0.006791 -0.008550 0.010330 2C 2py 0.001220 -0.000950 -0.001426 -0.001235 -0.001958 0.021972 2C 3pz 0.016523 -0.000041 -0.001338 -0.004262 -0.002141 0.009668 2C 3px -0.008562 -0.007853 -0.007028 0.000642 0.002821 0.032426 2C 3py -0.025224 -0.002698 -0.004146 -0.003990 -0.000927 0.005610 2C 1dz2 -0.000070 -0.000078 -0.000092 -0.000690 -0.001231 0.000370 2C 1dxz 0.000161 0.000286 0.000227 0.001621 0.002868 0.000509 2C 1dyz 0.000130 -0.000183 -0.000118 -0.000505 -0.000924 0.000191 2C 1dx2y2 0.000259 -0.000239 -0.000148 -0.000596 -0.001064 -0.000681 2C 1dxy -0.000332 0.000181 0.000100 0.001052 0.001864 -0.000070 2C 2dz2 0.000083 0.000972 0.000739 -0.002149 -0.004050 -0.000659 2C 2dxz 0.000537 -0.001436 -0.001043 0.004397 0.008129 0.000776 2C 2dyz 0.000538 0.000579 0.000722 -0.001047 -0.001289 -0.000876 2C 2dx2y2 0.001211 0.000036 -0.000118 -0.001308 -0.001580 -0.002095 2C 2dxy -0.002197 -0.000933 -0.000435 0.002938 0.005868 -0.000895 2C 1f0 0.000024 0.000111 0.000030 -0.000559 -0.000977 -0.000032 2C 1f+1 0.000020 -0.000029 0.000041 0.000368 0.000736 0.000341 2C 1f-1 0.000029 -0.000056 0.000006 -0.000171 -0.000327 0.000099 2C 1f+2 0.000051 -0.000109 -0.000099 0.000205 0.000365 -0.000025 2C 1f-2 -0.000064 -0.000084 -0.000049 0.000658 0.001215 -0.000299 2C 1f+3 -0.000025 -0.000006 -0.000046 0.000211 0.000379 0.000342 2C 1f-3 -0.000044 0.000017 0.000017 -0.000277 -0.000478 0.000352 3C 1s 0.000038 0.000048 0.000028 0.000042 -0.000171 0.008466 3C 2s 0.000078 0.000129 0.000042 0.000099 -0.000402 0.018916 3C 3s 0.000090 -0.000449 -0.000198 -0.000461 0.001183 -0.037089 3C 4s -0.001894 0.001492 0.000311 0.001039 -0.001861 -0.032911 3C 5s -0.005761 -0.014128 0.014565 0.006078 0.013634 -0.072098 3C 1pz 0.001519 0.001349 -0.002340 0.002208 -0.002977 -0.019944 3C 1px 0.002223 -0.005104 0.005989 -0.006902 0.010706 -0.017252 3C 1py 0.001958 -0.000977 0.001894 -0.001406 0.001677 0.041930 3C 2pz -0.001140 0.001645 -0.002128 0.002424 -0.002707 -0.017928 3C 2px -0.001948 -0.006021 0.007126 -0.005895 0.007888 -0.014694 3C 2py -0.000211 -0.001909 0.001588 -0.002062 0.001902 0.035766 3C 3pz 0.008035 0.000307 -0.001874 0.002206 0.002767 0.016022 3C 3px 0.025432 -0.006833 0.007572 0.001553 -0.002498 -0.024017 3C 3py 0.016527 0.000261 -0.000470 -0.003525 -0.000383 0.021638 3C 1dz2 -0.000158 -0.000016 0.000068 -0.000476 0.000810 -0.000203 3C 1dxz 0.000397 0.000250 -0.000393 0.001473 -0.002536 -0.000532 3C 1dyz 0.000036 0.000160 -0.000202 0.001019 -0.001726 -0.000060 3C 1dx2y2 0.000074 0.000036 -0.000067 0.000610 -0.001048 0.000687 3C 1dxy 0.000211 -0.000104 0.000111 -0.001129 0.001930 0.000368 3C 2dz2 -0.001173 0.000231 -0.000403 -0.001357 0.002718 -0.001683 3C 2dxz 0.001876 -0.000606 0.000980 0.003557 -0.005618 -0.000774 3C 2dyz -0.000092 -0.001023 0.000859 0.001888 -0.004008 -0.000902 3C 2dx2y2 0.001013 -0.000568 0.000602 0.001924 -0.003640 0.000787 3C 2dxy 0.000934 0.000859 -0.001251 -0.003573 0.006935 0.000101 3C 1f0 -0.000018 0.000077 -0.000063 0.000028 0.000004 0.000160 3C 1f+1 0.000064 -0.000004 -0.000023 -0.000215 0.000394 -0.000152 3C 1f-1 -0.000006 -0.000055 0.000013 0.000235 -0.000493 0.000262 3C 1f+2 0.000034 -0.000025 -0.000032 0.000342 -0.000667 -0.000346 3C 1f-2 -0.000037 -0.000034 0.000053 -0.000426 0.000726 -0.000008 3C 1f+3 -0.000036 -0.000042 0.000126 0.000488 -0.000841 -0.000294 3C 1f-3 0.000027 -0.000117 0.000139 0.000671 -0.001161 0.000413 4C 1s -0.000025 -0.000001 -0.000210 0.000044 -0.000016 0.004321 4C 2s -0.000032 -0.000006 -0.000483 0.000128 -0.000030 0.009633 4C 3s 0.000102 0.000718 0.001531 -0.002367 -0.000297 -0.014902 4C 4s -0.001240 -0.005149 -0.001270 0.011572 0.000766 -0.049204 4C 5s -0.003434 0.008601 0.017085 0.009780 0.006985 -0.068854 4C 1pz 0.000326 0.009702 0.007854 -0.006999 -0.013721 -0.012112 4C 1px -0.000106 -0.030282 -0.022109 0.020839 0.043258 -0.002481 4C 1py -0.000332 -0.005432 -0.003155 0.003884 0.008135 -0.004608 4C 2pz 0.000221 0.007079 0.006658 -0.003606 -0.019576 -0.016323 4C 2px -0.000428 -0.024652 -0.016401 0.022305 0.062825 -0.003243 4C 2py -0.001171 -0.004877 -0.001783 0.005848 0.012272 -0.006908 4C 3pz -0.013272 -0.019692 -0.015276 -0.019403 -0.024917 -0.072651 4C 3px 0.006085 0.034744 0.025201 0.028228 0.061273 -0.031764 4C 3py 0.003761 0.001436 0.000445 -0.000582 0.008127 -0.051863 4C 1dz2 -0.002095 0.002163 0.001224 0.001801 0.002806 0.005744 4C 1dxz 0.002775 -0.003567 -0.002321 -0.003274 -0.004960 0.004504 4C 1dyz 0.002538 -0.000092 0.000219 0.000050 0.000055 0.005831 4C 1dx2y2 0.003125 -0.000505 0.000139 -0.000050 -0.000311 -0.006441 4C 1dxy -0.005269 -0.002223 -0.002335 -0.002430 -0.003905 -0.000909 4C 2dz2 -0.004088 0.004581 0.002236 0.002480 0.001453 0.011558 4C 2dxz 0.006910 -0.007031 -0.004638 -0.005545 -0.003323 0.012249 4C 2dyz 0.005859 0.000060 -0.000249 0.000573 -0.000075 0.008329 4C 2dx2y2 0.006938 -0.001602 0.000102 0.000442 0.000063 -0.016706 4C 2dxy -0.013009 -0.005492 -0.004179 -0.003449 -0.002659 -0.004080 4C 1f0 -0.000940 0.001094 0.000776 0.000964 0.001766 0.000095 4C 1f+1 0.001013 -0.001060 -0.000765 -0.001191 -0.001762 0.000467 4C 1f-1 0.000643 0.000591 0.000474 0.000298 0.000370 -0.000210 4C 1f+2 0.000511 -0.000398 -0.000298 -0.000520 -0.001455 -0.000154 4C 1f-2 -0.000715 -0.001616 -0.001216 -0.001274 -0.001863 0.000067 4C 1f+3 -0.001238 -0.000677 -0.000609 -0.001016 -0.002084 -0.000082 4C 1f-3 -0.000294 0.000355 0.000165 -0.000381 -0.000787 0.000280 5C 1s 0.000055 -0.000030 -0.000185 -0.000042 0.000056 -0.004323 5C 2s 0.000140 -0.000064 -0.000431 -0.000128 0.000139 -0.009637 5C 3s -0.000257 -0.000525 0.001609 0.002000 -0.000518 0.014492 5C 4s -0.001239 0.003698 -0.001630 -0.010516 0.001451 0.051630 5C 5s -0.003665 0.010698 -0.004378 -0.002568 -0.006385 0.068105 5C 1pz -0.000142 0.007736 -0.009637 -0.006502 0.013471 0.004759 5C 1px 0.000401 -0.022922 0.029590 0.021695 -0.042910 0.003377 5C 1py 0.000140 -0.004178 0.004304 0.004011 -0.008038 -0.011551 5C 2pz -0.000293 0.007149 -0.007415 -0.008345 0.019763 0.007419 5C 2px 0.000816 -0.017944 0.021898 0.021587 -0.062809 0.004676 5C 2py 0.000903 -0.004855 0.003272 0.006021 -0.010945 -0.015706 5C 3pz -0.006607 -0.010015 0.014667 -0.006464 0.017739 0.034899 5C 3px -0.013405 0.026859 -0.031917 0.032358 -0.059910 0.040327 5C 3py 0.002795 0.007991 -0.012626 -0.001144 -0.013018 -0.076737 5C 1dz2 -0.003286 0.001228 -0.001018 0.001286 -0.001834 -0.001588 5C 1dxz 0.005218 -0.001875 0.001361 -0.001635 0.002606 -0.004925 5C 1dyz -0.000178 -0.001170 0.001553 -0.001395 0.002130 0.004135 5C 1dx2y2 0.000354 -0.001486 0.001957 -0.002130 0.002890 0.008071 5C 1dxy 0.004243 0.002153 -0.003492 0.003149 -0.004834 0.004560 5C 2dz2 -0.007224 0.001831 -0.001648 0.002499 -0.001230 -0.006044 5C 2dxz 0.013232 -0.003663 0.002668 -0.002475 0.001871 -0.012284 5C 2dyz -0.000461 -0.002544 0.003345 -0.001693 0.000927 0.003706 5C 2dx2y2 0.000175 -0.002742 0.003962 -0.003100 0.001639 0.019303 5C 2dxy 0.009370 0.005552 -0.006414 0.005110 -0.003305 0.009643 5C 1f0 -0.000961 0.000040 -0.000097 0.000483 -0.001065 -0.000311 5C 1f+1 0.001018 0.000005 -0.000082 -0.000207 0.000732 -0.000290 5C 1f-1 0.000621 -0.000592 0.000707 -0.000562 0.000761 -0.000123 5C 1f+2 0.000487 -0.000881 0.001132 -0.001322 0.002302 -0.000155 5C 1f-2 -0.000762 0.000912 -0.001023 0.000437 -0.000425 0.000238 5C 1f+3 -0.001208 -0.000797 0.001140 -0.001156 0.002279 -0.000268 5C 1f-3 -0.000281 -0.000889 0.001251 -0.001354 0.001907 0.000295 6C 1s -0.000053 -0.000018 -0.000197 0.000071 -0.000005 -0.004326 6C 2s -0.000136 -0.000038 -0.000458 0.000195 -0.000024 -0.009643 6C 3s 0.000248 -0.000580 0.001678 -0.002261 0.000324 0.014512 6C 4s 0.001242 0.003654 -0.001632 0.011033 -0.001982 0.051610 6C 5s 0.003565 0.010721 -0.004531 0.001971 0.005796 0.068853 6C 1pz 0.000093 -0.007753 0.009649 -0.006503 0.013594 -0.004621 6C 1px 0.000418 0.022909 -0.029568 0.021739 -0.042845 -0.003938 6C 1py 0.000277 0.004150 -0.004276 0.003932 -0.008181 0.011436 6C 2pz -0.000081 -0.007186 0.007448 -0.008358 0.019915 -0.007220 6C 2px 0.000866 0.017974 -0.021898 0.021547 -0.062770 -0.005482 6C 2py 0.001048 0.004847 -0.003276 0.005992 -0.011111 0.015597 6C 3pz -0.006664 0.009988 -0.014672 -0.006596 0.018294 -0.034823 6C 3px -0.013282 -0.026832 0.031968 0.032549 -0.059243 -0.041526 6C 3py 0.002895 -0.007946 0.012634 -0.001024 -0.014114 0.076542 6C 1dz2 0.003292 0.001224 -0.001021 -0.001287 0.001857 -0.001559 6C 1dxz -0.005223 -0.001872 0.001377 0.001639 -0.002537 -0.004957 6C 1dyz 0.000179 -0.001169 0.001549 0.001391 -0.002183 0.004110 6C 1dx2y2 -0.000360 -0.001478 0.001949 0.002121 -0.002996 0.008040 6C 1dxy -0.004244 0.002171 -0.003497 -0.003152 0.004773 0.004615 6C 2dz2 0.007252 0.001808 -0.001661 -0.002542 0.001292 -0.006038 6C 2dxz -0.013249 -0.003650 0.002704 0.002481 -0.001700 -0.012354 6C 2dyz 0.000456 -0.002547 0.003362 0.001634 -0.000967 0.003674 6C 2dx2y2 -0.000183 -0.002736 0.003944 0.003109 -0.001866 0.019302 6C 2dxy -0.009369 0.005591 -0.006428 -0.005193 0.003174 0.009710 6C 1f0 -0.000963 -0.000038 0.000098 0.000481 -0.001067 0.000299 6C 1f+1 0.001017 -0.000009 0.000081 -0.000201 0.000729 0.000300 6C 1f-1 0.000621 0.000592 -0.000709 -0.000562 0.000758 0.000131 6C 1f+2 0.000488 0.000883 -0.001134 -0.001322 0.002302 0.000184 6C 1f-2 -0.000764 -0.000910 0.001026 0.000435 -0.000420 -0.000246 6C 1f+3 -0.001210 0.000800 -0.001140 -0.001153 0.002281 0.000296 6C 1f-3 -0.000282 0.000893 -0.001253 -0.001358 0.001908 -0.000272 7C 1s 0.000022 0.000007 -0.000204 -0.000026 -0.000037 0.004319 7C 2s 0.000027 0.000011 -0.000471 -0.000086 -0.000088 0.009627 7C 3s -0.000089 0.000709 0.001541 0.002159 0.000491 -0.014877 7C 4s 0.001242 -0.005372 -0.001526 -0.011055 -0.000198 -0.049251 7C 5s 0.003605 0.008789 0.017219 -0.010227 -0.006585 -0.068659 7C 1pz 0.000418 -0.009661 -0.007821 -0.006945 -0.013858 0.011640 7C 1px 0.000090 0.030327 0.022161 0.020845 0.043231 0.002858 7C 1py -0.000549 0.005432 0.003153 0.003885 0.008008 0.005216 7C 2pz 0.000320 -0.007017 -0.006597 -0.003608 -0.019771 0.015793 7C 2px -0.000265 0.024698 0.016435 0.022258 0.062813 0.003895 7C 2py -0.001385 0.004881 0.001810 0.005809 0.012119 0.007579 7C 3pz -0.013005 0.019808 0.015349 -0.019295 -0.025812 0.071651 7C 3px 0.005463 -0.034757 -0.025212 0.028461 0.060847 0.032848 7C 3py 0.003669 -0.001379 -0.000422 -0.000467 0.007374 0.052906 7C 1dz2 0.002105 0.002159 0.001220 -0.001804 -0.002880 0.005689 7C 1dxz -0.002798 -0.003560 -0.002310 0.003275 0.004901 0.004554 7C 1dyz -0.002538 -0.000082 0.000228 -0.000052 -0.000129 0.005841 7C 1dx2y2 -0.003126 -0.000498 0.000142 0.000052 0.000399 -0.006458 7C 1dxy 0.005266 -0.002244 -0.002352 0.002430 0.003919 -0.000861 7C 2dz2 0.004123 0.004557 0.002226 -0.002458 -0.001604 0.011507 7C 2dxz -0.006975 -0.007011 -0.004608 0.005581 0.003169 0.012287 7C 2dyz -0.005873 0.000081 -0.000240 -0.000514 -0.000038 0.008358 7C 2dx2y2 -0.006934 -0.001587 0.000117 -0.000430 0.000155 -0.016753 7C 2dxy 0.013001 -0.005553 -0.004229 0.003511 0.002696 -0.004033 7C 1f0 -0.000949 -0.001089 -0.000772 0.000963 0.001766 -0.000071 7C 1f+1 0.001023 0.001054 0.000757 -0.001188 -0.001760 -0.000489 7C 1f-1 0.000639 -0.000596 -0.000478 0.000300 0.000366 0.000215 7C 1f+2 0.000512 0.000398 0.000298 -0.000520 -0.001458 0.000137 7C 1f-2 -0.000701 0.001621 0.001218 -0.001277 -0.001862 -0.000094 7C 1f+3 -0.001238 0.000685 0.000614 -0.001016 -0.002087 0.000054 7C 1f-3 -0.000297 -0.000356 -0.000166 -0.000379 -0.000786 -0.000290 8C 1s -0.000038 0.000055 0.000020 -0.000050 0.000064 0.008469 8C 2s -0.000079 0.000145 0.000024 -0.000117 0.000165 0.018925 8C 3s -0.000085 -0.000480 -0.000162 0.000530 -0.000722 -0.037126 8C 4s 0.001870 0.001478 0.000314 -0.001243 0.002309 -0.032790 8C 5s 0.005944 -0.014358 0.014980 -0.005369 -0.013368 -0.072628 8C 1pz 0.001535 -0.001334 0.002327 0.002169 -0.003251 0.019950 8C 1px 0.002182 0.005125 -0.006027 -0.006925 0.010471 0.017453 8C 1py 0.001959 0.000941 -0.001858 -0.001331 0.002227 -0.041871 8C 2pz -0.001220 -0.001621 0.002132 0.002458 -0.002964 0.017910 8C 2px -0.001925 0.006041 -0.007149 -0.005891 0.007680 0.014835 8C 2py -0.000240 0.001890 -0.001548 -0.002086 0.002379 -0.035713 8C 3pz 0.008527 -0.000327 0.001862 0.002043 0.003074 -0.015734 8C 3px 0.025077 0.006770 -0.007644 0.001446 -0.002818 0.024684 8C 3py 0.016735 -0.000288 0.000459 -0.003364 -0.000201 -0.021305 8C 1dz2 0.000152 -0.000013 0.000063 0.000464 -0.000784 -0.000213 8C 1dxz -0.000401 0.000251 -0.000392 -0.001469 0.002534 -0.000502 8C 1dyz -0.000028 0.000164 -0.000207 -0.001027 0.001741 -0.000039 8C 1dx2y2 -0.000081 0.000036 -0.000067 -0.000599 0.001021 0.000700 8C 1dxy -0.000215 -0.000106 0.000113 0.001139 -0.001950 0.000344 8C 2dz2 0.001162 0.000222 -0.000400 0.001336 -0.002666 -0.001704 8C 2dxz -0.001885 -0.000596 0.000977 -0.003556 0.005616 -0.000699 8C 2dyz 0.000108 -0.001030 0.000867 -0.001877 0.004044 -0.000856 8C 2dx2y2 -0.001026 -0.000566 0.000602 -0.001871 0.003596 0.000822 8C 2dxy -0.000947 0.000861 -0.001249 0.003603 -0.006967 0.000015 8C 1f0 -0.000017 -0.000077 0.000064 0.000021 0.000012 -0.000162 8C 1f+1 0.000065 0.000003 0.000024 -0.000217 0.000394 0.000165 8C 1f-1 -0.000009 0.000056 -0.000015 0.000236 -0.000492 -0.000266 8C 1f+2 0.000034 0.000023 0.000034 0.000339 -0.000673 0.000336 8C 1f-2 -0.000037 0.000032 -0.000051 -0.000427 0.000724 0.000024 8C 1f+3 -0.000037 0.000040 -0.000124 0.000486 -0.000841 0.000287 8C 1f-3 0.000028 0.000116 -0.000139 0.000671 -0.001157 -0.000423 9C 1s 0.000000 0.000046 0.000137 -0.000134 -0.000155 -0.008448 9C 2s 0.000000 0.000136 0.000335 -0.000307 -0.000353 -0.018888 9C 3s -0.000108 -0.000469 -0.001111 0.000511 0.000571 0.037172 9C 4s 0.000601 0.001477 0.002903 -0.000112 0.000264 0.032350 9C 5s 0.006823 -0.025224 -0.027376 0.023368 0.020746 0.072368 9C 1pz 0.001910 -0.002285 -0.001020 0.001946 0.003448 -0.040256 9C 1px -0.000085 0.006418 0.004949 -0.006750 -0.010568 -0.012480 9C 1py -0.002893 0.000914 0.001593 -0.001547 -0.001986 -0.026082 9C 2pz -0.001457 -0.002725 -0.002280 0.001591 0.002788 -0.034911 9C 2px 0.000302 0.007613 0.005371 -0.006793 -0.008418 -0.010389 9C 2py 0.001299 0.000900 0.001389 -0.001183 -0.001662 -0.022231 9C 3pz 0.016540 0.000021 0.001283 -0.004363 -0.002119 -0.008939 9C 3px -0.007198 0.007851 0.006979 0.000712 0.003276 -0.032791 9C 3py -0.025401 0.002770 0.004238 -0.004034 -0.000834 -0.006524 9C 1dz2 0.000063 -0.000079 -0.000092 0.000690 0.001227 0.000398 9C 1dxz -0.000170 0.000292 0.000231 -0.001639 -0.002905 0.000482 9C 1dyz -0.000126 -0.000182 -0.000116 0.000501 0.000919 0.000196 9C 1dx2y2 -0.000265 -0.000240 -0.000148 0.000597 0.001072 -0.000664 9C 1dxy 0.000334 0.000170 0.000092 -0.001026 -0.001817 -0.000102 9C 2dz2 -0.000077 0.000975 0.000746 0.002122 0.004049 -0.000555 9C 2dxz -0.000603 -0.001440 -0.001057 -0.004428 -0.008174 0.000700 9C 2dyz -0.000532 0.000598 0.000737 0.001019 0.001317 -0.000906 9C 2dx2y2 -0.001242 0.000046 -0.000117 0.001322 0.001612 -0.002001 9C 2dxy 0.002183 -0.000934 -0.000437 -0.002893 -0.005797 -0.000989 9C 1f0 0.000027 -0.000111 -0.000030 -0.000553 -0.000967 0.000011 9C 1f+1 0.000022 0.000027 -0.000042 0.000360 0.000727 -0.000329 9C 1f-1 0.000029 0.000055 -0.000007 -0.000172 -0.000331 -0.000108 9C 1f+2 0.000055 0.000106 0.000098 0.000201 0.000360 0.000014 9C 1f-2 -0.000062 0.000085 0.000051 0.000664 0.001221 0.000304 9C 1f+3 -0.000023 0.000008 0.000048 0.000220 0.000397 -0.000329 9C 1f-3 -0.000045 -0.000022 -0.000021 -0.000276 -0.000474 -0.000371 10H 1s 0.000141 -0.003155 -0.002221 -0.007950 -0.013705 -0.003685 10H 2s -0.000092 -0.006752 -0.004762 -0.011895 -0.023213 -0.003707 10H 3s 0.011474 0.006588 0.006953 -0.020692 -0.036927 -0.078014 10H 1pz 0.000145 0.000048 0.000023 0.000597 0.000844 0.002050 10H 1px 0.000292 0.000632 0.000504 0.000216 0.000445 -0.001008 10H 1py -0.000172 0.000206 0.000060 0.000426 0.000627 0.000868 11H 1s -0.000275 0.001061 0.000806 0.002867 0.005067 -0.002684 11H 2s -0.002103 0.004005 0.003511 0.005221 0.010108 0.000514 11H 3s 0.019434 0.002802 0.003327 0.012587 0.020184 -0.033397 11H 1pz -0.000045 0.000172 0.000166 -0.000136 -0.000132 0.002141 11H 1px -0.000500 0.000145 0.000093 -0.000126 -0.000075 0.001287 11H 1py 0.000367 -0.000194 -0.000201 -0.000174 -0.000285 0.000895 12H 1s 0.000144 0.001973 0.001608 0.005252 0.009091 -0.002428 12H 2s 0.002602 0.006422 0.004461 0.009459 0.016517 0.000066 12H 3s -0.029083 0.002545 0.002266 0.016688 0.031887 -0.042291 12H 1pz -0.000595 -0.000207 -0.000227 -0.000386 -0.000565 0.001422 12H 1px 0.000402 0.000186 0.000107 -0.000079 -0.000072 0.001271 12H 1py 0.000567 0.000384 0.000160 -0.000138 -0.000259 0.001660 13H 1s -0.000198 -0.002267 0.003021 -0.007949 0.013269 0.003696 13H 2s -0.000076 -0.004988 0.006960 -0.013492 0.023060 0.004114 13H 3s -0.015972 0.004270 -0.004571 -0.020177 0.036880 0.075919 13H 1pz 0.000272 -0.000190 0.000188 0.000219 -0.000323 -0.001397 13H 1px -0.000272 0.000448 -0.000633 0.000421 -0.000626 0.000632 13H 1py 0.000228 -0.000141 0.000140 -0.000578 0.000802 0.001864 14H 1s -0.000083 0.001749 -0.002217 0.006095 -0.010161 0.002688 14H 2s -0.002315 0.004728 -0.006674 0.009861 -0.018709 -0.000169 14H 3s 0.029917 0.000301 -0.000425 0.017873 -0.032673 0.050103 14H 1pz -0.000241 0.000052 -0.000146 -0.000232 0.000314 -0.000919 14H 1px -0.000669 0.000264 -0.000436 -0.000083 0.000047 -0.001970 14H 1py -0.000528 0.000227 -0.000217 0.000436 -0.000667 0.001471 15H 1s 0.000350 0.000499 -0.000543 0.002062 -0.003416 0.002446 15H 2s 0.002434 0.002699 -0.002703 0.003860 -0.006513 -0.001466 15H 3s -0.013529 0.001602 -0.000358 0.006136 -0.015079 0.027166 15H 1pz -0.000477 -0.000147 0.000156 -0.000114 0.000078 -0.000459 15H 1px 0.000256 -0.000071 0.000014 -0.000113 0.000166 -0.001146 15H 1py -0.000186 -0.000212 0.000217 0.000048 -0.000130 0.002332 16H 1s 0.000086 0.008763 0.005885 -0.006810 0.000041 -0.000029 16H 2s 0.001781 0.014341 0.011266 -0.008201 0.007039 -0.003507 16H 3s 0.000210 0.015743 0.006465 -0.044132 0.006908 -0.006614 16H 1pz 0.000170 -0.000182 0.000979 0.002232 0.000431 -0.000181 16H 1px -0.000098 0.001103 0.000067 -0.004050 -0.000713 0.000443 16H 1py 0.000105 0.000459 -0.001586 -0.000658 -0.000095 0.000040 17H 1s 0.000112 -0.008185 0.006792 -0.007124 -0.000131 0.000016 17H 2s 0.002862 -0.013577 0.012636 -0.008526 -0.005254 0.003248 17H 3s 0.001113 -0.013720 0.007636 -0.044530 -0.006886 0.005494 17H 1pz -0.000056 0.000430 -0.001061 0.000835 -0.000055 0.000010 17H 1px -0.000368 -0.001074 -0.000543 -0.004632 0.000611 -0.000418 17H 1py 0.000142 -0.000700 -0.001463 -0.000521 0.000161 -0.000083 18H 1s -0.000109 -0.008370 0.006633 0.007122 0.000122 0.000022 18H 2s -0.003017 -0.013811 0.012398 0.008542 0.004960 0.003166 18H 3s -0.001171 -0.013879 0.007363 0.044648 0.006604 0.005415 18H 1pz -0.000065 -0.000476 0.001038 0.000832 -0.000049 -0.000007 18H 1px -0.000392 0.001077 0.000547 -0.004653 0.000583 0.000408 18H 1py 0.000148 0.000668 0.001504 -0.000543 0.000177 0.000094 19H 1s -0.000061 0.008619 0.006111 0.006841 -0.000054 -0.000035 19H 2s -0.001597 0.014115 0.011637 0.008335 -0.007180 -0.003703 19H 3s -0.000135 0.015588 0.006811 0.044421 -0.006890 -0.006730 19H 1pz 0.000147 0.000216 -0.001014 0.002237 0.000434 0.000194 19H 1px -0.000084 -0.001086 -0.000111 -0.004076 -0.000720 -0.000459 19H 1py 0.000107 -0.000504 0.001543 -0.000651 -0.000073 -0.000034 20H 1s -0.000308 0.000520 -0.000570 -0.002134 0.003493 0.002486 20H 2s -0.002404 0.002781 -0.002792 -0.004000 0.006760 -0.001387 20H 3s 0.013971 0.001624 -0.000459 -0.006486 0.015204 0.027631 20H 1pz -0.000485 0.000153 -0.000162 -0.000120 0.000077 0.000455 20H 1px 0.000260 0.000067 -0.000012 -0.000114 0.000150 0.001161 20H 1py -0.000189 0.000216 -0.000218 0.000055 -0.000103 -0.002331 21H 1s 0.000057 0.001749 -0.002216 -0.006052 0.010042 0.002800 21H 2s 0.002280 0.004732 -0.006694 -0.009825 0.018602 0.000024 21H 3s -0.030004 0.000472 -0.000510 -0.017799 0.031902 0.050090 21H 1pz -0.000245 -0.000055 0.000153 -0.000228 0.000294 0.000934 21H 1px -0.000668 -0.000260 0.000434 -0.000083 0.000021 0.001969 21H 1py -0.000529 -0.000225 0.000217 0.000437 -0.000641 -0.001482 22H 1s 0.000182 -0.002277 0.003036 0.007964 -0.013347 0.003543 22H 2s 0.000072 -0.004995 0.006965 0.013487 -0.023139 0.003894 22H 3s 0.015565 0.004319 -0.004716 0.020185 -0.037853 0.075798 22H 1pz 0.000268 0.000187 -0.000184 0.000221 -0.000345 0.001390 22H 1px -0.000265 -0.000451 0.000638 0.000419 -0.000621 -0.000643 22H 1py 0.000227 0.000140 -0.000140 -0.000576 0.000828 -0.001851 23H 1s -0.000107 0.001940 0.001583 -0.005165 -0.008903 -0.002589 23H 2s -0.002565 0.006404 0.004439 -0.009347 -0.016270 -0.000168 23H 3s 0.028992 0.002570 0.002252 -0.016489 -0.031128 -0.042238 23H 1pz -0.000592 0.000203 0.000224 -0.000380 -0.000531 -0.001434 23H 1px 0.000395 -0.000178 -0.000105 -0.000080 -0.000060 -0.001258 23H 1py 0.000571 -0.000392 -0.000163 -0.000134 -0.000234 -0.001682 24H 1s 0.000232 0.001095 0.000827 -0.002976 -0.005219 -0.002686 24H 2s 0.002099 0.004108 0.003599 -0.005436 -0.010458 0.000480 24H 3s -0.020140 0.002885 0.003401 -0.012880 -0.020451 -0.033793 24H 1pz -0.000049 -0.000172 -0.000168 -0.000142 -0.000116 -0.002119 24H 1px -0.000514 -0.000155 -0.000104 -0.000122 -0.000054 -0.001303 24H 1py 0.000376 0.000195 0.000201 -0.000183 -0.000280 -0.000916 25H 1s -0.000133 -0.003167 -0.002227 0.007970 0.013785 -0.003529 25H 2s 0.000068 -0.006764 -0.004785 0.011913 0.023312 -0.003518 25H 3s -0.010619 0.006677 0.007011 0.020862 0.037869 -0.077922 25H 1pz 0.000146 -0.000047 -0.000021 0.000596 0.000870 -0.002028 25H 1px 0.000272 -0.000634 -0.000508 0.000213 0.000437 0.001014 25H 1py -0.000173 -0.000214 -0.000065 0.000428 0.000645 -0.000863 26O 1s -0.000025 -0.002292 -0.001512 0.005285 0.010147 -0.007438 26O 2s -0.000057 -0.005516 -0.003630 0.012873 0.024728 -0.018093 26O 3s -0.000010 0.008383 0.005399 -0.021571 -0.041448 0.030305 26O 4s 0.000799 0.014565 0.010311 -0.029903 -0.057914 0.042104 26O 5s -0.000159 0.023627 0.009462 -0.063510 -0.129965 0.123321 26O 1pz 0.047194 -0.050049 -0.032410 -0.051453 -0.082158 0.088752 26O 1px 0.028442 0.047998 0.037160 0.009982 0.008587 0.019900 26O 1py -0.076607 -0.005315 -0.013498 -0.028509 -0.048647 0.060123 26O 2pz 0.039398 -0.043961 -0.028501 -0.044463 -0.070508 0.074869 26O 2px 0.023639 0.036651 0.028876 0.010890 0.013973 0.011880 26O 2py -0.064453 -0.007422 -0.012920 -0.024130 -0.039199 0.049322 26O 3pz 0.031944 -0.026322 -0.014837 -0.044757 -0.069721 0.087298 26O 3px 0.017023 0.027822 0.026572 0.011758 0.029065 -0.007725 26O 3py -0.051642 0.003825 -0.008581 -0.021501 -0.033911 0.048000 26O 1dz2 -0.000530 0.000874 0.000546 0.000328 0.000293 -0.000132 26O 1dxz -0.000861 -0.000100 -0.000206 0.000943 0.001543 -0.001438 26O 1dyz 0.000089 0.000126 0.000119 0.000995 0.001778 -0.001514 26O 1dx2y2 -0.001137 -0.000790 -0.000763 -0.000366 -0.000307 0.000231 26O 1dxy 0.000782 -0.000977 -0.000485 0.000624 0.001341 -0.001289 26O 2dz2 -0.003081 0.001867 0.002139 0.001842 0.003179 -0.002287 26O 2dxz -0.002890 -0.001410 -0.001792 0.002773 0.004633 -0.003608 26O 2dyz 0.000934 0.000397 -0.000571 0.002820 0.005834 -0.004817 26O 2dx2y2 -0.003810 -0.001249 -0.001766 -0.002536 -0.003159 0.002280 26O 2dxy 0.002063 -0.003517 -0.001240 0.000578 0.002248 -0.002149 26O 1f0 -0.000713 0.000181 0.000285 0.000304 0.000382 -0.000523 26O 1f+1 -0.000095 -0.000527 -0.000454 0.000053 -0.000035 0.000041 26O 1f-1 0.000168 0.000086 0.000036 0.000443 0.000935 -0.000910 26O 1f+2 -0.000070 -0.000059 -0.000036 -0.000461 -0.000668 0.000784 26O 1f-2 -0.000033 -0.000536 -0.000301 -0.000160 -0.000121 0.000269 26O 1f+3 -0.000566 -0.000333 -0.000168 -0.000146 -0.000143 0.000289 26O 1f-3 0.000377 -0.000179 -0.000088 0.000245 0.000210 -0.000287 27O 1s 0.000087 -0.001772 0.002326 0.005406 -0.010039 0.007432 27O 2s 0.000188 -0.004279 0.005600 0.013151 -0.024455 0.018069 27O 3s 0.000020 0.006755 -0.008615 -0.021901 0.040866 -0.030111 27O 4s -0.002304 0.010643 -0.014821 -0.032577 0.058079 -0.042889 27O 5s 0.009369 0.012239 -0.014944 -0.046510 0.125147 -0.121539 27O 1pz 0.075873 -0.033188 0.030561 -0.034682 0.054089 -0.052595 27O 1px 0.015505 0.032209 -0.044513 0.001154 0.006158 -0.035796 27O 1py 0.053789 0.025972 -0.041121 0.048063 -0.077031 0.087951 27O 2pz 0.063386 -0.028471 0.026714 -0.030791 0.046986 -0.045231 27O 2px 0.012840 0.024316 -0.034274 0.001679 -0.001608 -0.024858 27O 2py 0.045409 0.023889 -0.036571 0.042068 -0.065333 0.073427 27O 3pz 0.051597 -0.021512 0.013582 -0.025071 0.049051 -0.053433 27O 3px 0.009155 0.023210 -0.029967 0.000982 -0.017930 -0.005303 27O 3py 0.035027 0.007684 -0.022331 0.038249 -0.061797 0.083496 27O 1dz2 -0.000365 0.000506 -0.000631 -0.000361 0.000875 -0.000854 27O 1dxz -0.001233 0.000296 -0.000034 0.000739 -0.001090 0.001019 27O 1dyz 0.000457 -0.000211 0.000168 -0.000540 0.001023 -0.000822 27O 1dx2y2 -0.000708 -0.000864 0.001321 -0.000397 0.000157 0.000014 27O 1dxy -0.000700 0.000395 -0.000322 -0.001163 0.002029 -0.001894 27O 2dz2 -0.002289 0.000939 -0.002535 -0.000426 0.001098 -0.000988 27O 2dxz -0.003852 0.000629 0.001192 0.002406 -0.003995 0.003256 27O 2dyz 0.002023 -0.000491 0.000750 -0.001896 0.003948 -0.003311 27O 2dx2y2 -0.002904 -0.002598 0.003511 -0.001891 0.003714 -0.002667 27O 2dxy -0.002168 0.002552 -0.001919 -0.003399 0.005895 -0.004800 27O 1f0 -0.000525 0.000035 -0.000127 -0.000086 0.000346 -0.000219 27O 1f+1 -0.000199 -0.000094 0.000245 0.000177 -0.000033 0.000093 27O 1f-1 0.000446 -0.000043 0.000225 -0.000172 0.000265 -0.000303 27O 1f+2 0.000347 -0.000259 0.000348 -0.000431 0.000806 -0.000924 27O 1f-2 -0.000111 0.000288 -0.000412 -0.000224 0.000342 -0.000344 27O 1f+3 -0.000267 -0.000499 0.000546 0.000204 -0.000171 0.000078 27O 1f-3 -0.000606 -0.000216 0.000250 -0.000524 0.000626 -0.000826 28O 1s 0.000073 0.002388 0.001803 -0.005261 -0.010076 -0.007628 28O 2s 0.000156 0.005755 0.004339 -0.012813 -0.024560 -0.018522 28O 3s 0.000052 -0.008890 -0.006634 0.021574 0.041286 0.030427 28O 4s -0.002217 -0.015203 -0.011796 0.030562 0.057050 0.046801 28O 5s 0.009126 -0.015472 -0.010612 0.045429 0.126395 0.110090 28O 1pz -0.047699 0.014700 0.004370 0.037947 0.065489 0.089812 28O 1px -0.029937 0.062732 0.043092 0.026039 0.035386 0.015547 28O 1py 0.077671 0.025447 0.027305 0.033838 0.055330 0.059385 28O 2pz -0.040320 0.015891 0.006130 0.033549 0.052670 0.072610 28O 2px -0.025186 0.050483 0.035009 0.023292 0.035811 0.017670 28O 2py 0.065317 0.022964 0.023657 0.029706 0.047502 0.050155 28O 3pz -0.031859 0.005118 -0.001019 0.028551 0.041615 0.075010 28O 3px -0.018135 0.041007 0.024897 0.019018 0.050068 0.040381 28O 3py 0.050244 0.009011 0.018819 0.027495 0.045387 0.058648 28O 1dz2 0.001153 -0.000123 0.000156 -0.000966 -0.001660 -0.001493 28O 1dxz 0.000002 -0.001250 -0.001002 0.000229 0.000808 0.000881 28O 1dyz -0.000868 0.000015 -0.000143 -0.001001 -0.001804 -0.001606 28O 1dx2y2 0.000103 0.000768 0.000571 0.000494 0.000407 0.000327 28O 1dxy 0.000902 -0.000322 -0.000060 0.000344 0.000527 0.000572 28O 2dz2 0.004577 0.000863 0.001131 -0.003270 -0.005611 -0.004756 28O 2dxz 0.000333 -0.003568 -0.003599 -0.000037 -0.000355 0.000053 28O 2dyz -0.002933 0.000614 -0.000197 -0.003115 -0.006194 -0.005235 28O 2dx2y2 0.001160 0.002118 0.000615 0.001844 0.003348 0.002780 28O 2dxy 0.002419 -0.002138 -0.000203 0.000831 0.000992 0.001101 28O 1f0 0.000098 0.000400 0.000350 0.000000 0.000140 0.000266 28O 1f+1 0.000702 -0.000138 -0.000165 -0.000493 -0.000559 -0.000794 28O 1f-1 0.000205 0.000246 0.000140 -0.000288 -0.000660 -0.000597 28O 1f+2 0.000319 -0.000328 -0.000356 0.000333 0.000368 0.000311 28O 1f-2 -0.000383 -0.000399 -0.000292 -0.000329 -0.000567 -0.000731 28O 1f+3 -0.000097 -0.000376 -0.000159 -0.000113 -0.000298 -0.000441 28O 1f-3 -0.000576 0.000116 0.000104 -0.000231 -0.000194 -0.000334 29O 1s 0.000071 -0.000005 0.001474 -0.009767 -0.000054 -0.000014 29O 2s 0.000175 -0.000015 0.003590 -0.023904 -0.000128 -0.000037 29O 3s -0.000269 0.000061 -0.006151 0.041550 0.000182 0.000103 29O 4s -0.000049 -0.000140 -0.006127 0.052878 0.000656 -0.000116 29O 5s -0.004350 0.000094 -0.019028 0.083052 -0.001529 0.000797 29O 1pz -0.000073 -0.014338 0.003650 0.028296 0.002828 -0.001583 29O 1px -0.000287 -0.007576 -0.018204 -0.083023 0.000327 -0.000587 29O 1py -0.000379 -0.001130 -0.042248 -0.023957 -0.000169 -0.000076 29O 2pz -0.000030 -0.012894 0.003189 0.023634 0.002823 -0.001333 29O 2px -0.000453 -0.006481 -0.015075 -0.069290 0.000337 -0.000524 29O 2py 0.000030 -0.000868 -0.034674 -0.019210 -0.000151 -0.000169 29O 3pz -0.000249 0.004045 0.005206 0.025735 0.010086 -0.006388 29O 3px -0.000833 -0.001744 -0.020721 -0.077443 0.002983 -0.002370 29O 3py 0.001294 -0.001836 -0.024688 -0.026239 -0.000087 0.000831 29O 1dz2 0.000009 0.000599 0.000045 0.000462 0.000046 -0.000020 29O 1dxz 0.000018 -0.000668 0.000179 0.000899 -0.000013 0.000016 29O 1dyz -0.000005 0.000511 0.000223 -0.000074 0.000090 -0.000048 29O 1dx2y2 -0.000010 -0.000283 -0.000420 -0.001429 -0.000016 -0.000000 29O 1dxy -0.000021 0.000236 -0.000665 0.000288 0.000040 -0.000020 29O 2dz2 0.000419 0.003000 -0.000231 0.001634 -0.000129 0.000032 29O 2dxz 0.000095 -0.003927 0.000107 0.004153 0.000417 -0.000268 29O 2dyz -0.000183 0.000727 0.001462 -0.000527 0.000115 -0.000156 29O 2dx2y2 0.000422 -0.001674 -0.000779 -0.006452 0.000244 -0.000180 29O 2dxy 0.000114 0.000545 -0.003933 0.002069 0.000118 -0.000100 29O 1f0 0.000075 -0.000183 0.000052 0.000553 0.000090 -0.000055 29O 1f+1 -0.000068 -0.000430 -0.000171 -0.000523 0.000041 -0.000029 29O 1f-1 -0.000010 -0.000231 -0.000399 -0.000321 0.000083 -0.000051 29O 1f+2 -0.000030 0.000265 0.000087 -0.000428 -0.000022 0.000007 29O 1f-2 0.000052 0.000318 -0.000403 -0.000498 -0.000133 0.000088 29O 1f+3 0.000050 -0.000173 0.000487 -0.000165 0.000039 -0.000029 29O 1f-3 0.000007 -0.000150 -0.000371 -0.000766 0.000073 -0.000059 30O 1s -0.000100 0.001805 -0.002109 -0.005442 0.010004 0.007643 30O 2s -0.000239 0.004340 -0.005070 -0.013268 0.024379 0.018558 30O 3s 0.000309 -0.006501 0.007646 0.022435 -0.040882 -0.030535 30O 4s 0.001129 -0.011937 0.014037 0.029799 -0.056857 -0.046446 30O 5s 0.001209 -0.018424 0.013912 0.064464 -0.126684 -0.113319 30O 1pz -0.078435 0.006141 0.003180 0.023392 -0.038738 -0.054622 30O 1px -0.014962 0.051698 -0.063218 0.036280 -0.049711 -0.031943 30O 1py -0.053712 -0.010189 0.022420 -0.042294 0.068022 0.089310 30O 2pz -0.066219 0.007314 0.000066 0.019124 -0.030442 -0.044020 30O 2px -0.012432 0.041668 -0.051431 0.033096 -0.048098 -0.031588 30O 2py -0.044792 -0.011391 0.021604 -0.035987 0.055468 0.072581 30O 3pz -0.051983 0.006070 0.007264 0.020252 -0.021526 -0.040183 30O 3px -0.008027 0.030111 -0.039429 0.034263 -0.060410 -0.054665 30O 3py -0.034119 -0.000497 0.012112 -0.034122 0.048217 0.078753 30O 1dz2 0.001367 -0.000300 0.000020 -0.000118 -0.000000 0.000030 30O 1dxz -0.000421 -0.000663 0.000960 -0.000119 -0.000108 -0.000195 30O 1dyz -0.000395 -0.000293 0.000417 0.001209 -0.002152 -0.001975 30O 1dx2y2 0.000559 0.000238 -0.000417 0.001059 -0.001549 -0.001410 30O 1dxy -0.000650 0.000901 -0.000935 0.000003 0.000234 0.000360 30O 2dz2 0.004995 -0.000380 -0.000353 -0.000671 0.000584 0.000560 30O 2dxz -0.000701 -0.000695 0.003129 -0.001347 0.001740 0.001291 30O 2dyz -0.001851 -0.001305 0.001704 0.002697 -0.005931 -0.005145 30O 2dx2y2 0.002624 -0.000015 0.000265 0.004068 -0.006164 -0.005237 30O 2dxy -0.001334 0.003099 -0.002537 0.001179 -0.001777 -0.001227 30O 1f0 -0.000061 0.000067 -0.000195 0.000175 -0.000505 -0.000514 30O 1f+1 0.000765 0.000072 0.000001 -0.000201 0.000167 0.000270 30O 1f-1 -0.000066 -0.000192 0.000202 -0.000076 0.000058 0.000162 30O 1f+2 -0.000089 -0.000293 0.000474 0.000024 -0.000208 -0.000002 30O 1f-2 -0.000309 0.000044 -0.000148 0.000517 -0.000756 -0.000867 30O 1f+3 -0.000448 -0.000275 0.000179 -0.000558 0.000760 0.001009 30O 1f-3 0.000385 -0.000463 0.000569 0.000043 0.000054 0.000128 31O 1s 0.000092 0.001802 -0.002102 0.005444 -0.010097 0.007520 31O 2s 0.000221 0.004332 -0.005055 0.013271 -0.024604 0.018259 31O 3s -0.000280 -0.006488 0.007619 -0.022428 0.041256 -0.030033 31O 4s -0.001079 -0.011907 0.014006 -0.029866 0.057401 -0.045739 31O 5s -0.001204 -0.018549 0.014005 -0.064516 0.128097 -0.111898 31O 1pz -0.078505 -0.005944 -0.003124 0.023339 -0.039418 0.054133 31O 1px -0.015001 -0.051635 0.063194 0.036365 -0.050110 0.031373 31O 1py -0.053711 0.010239 -0.022309 -0.042271 0.069225 -0.088535 31O 2pz -0.066289 -0.007148 -0.000018 0.019087 -0.030983 0.043608 31O 2px -0.012463 -0.041614 0.051402 0.033173 -0.048492 0.031037 31O 2py -0.044782 0.011436 -0.021524 -0.035985 0.056449 -0.071939 31O 3pz -0.052054 -0.005964 -0.007201 0.020088 -0.022059 0.039934 31O 3px -0.008050 -0.029996 0.039379 0.034427 -0.061100 0.054065 31O 3py -0.034110 0.000523 -0.011995 -0.033835 0.049278 -0.078199 31O 1dz2 -0.001363 -0.000297 0.000022 0.000117 0.000001 0.000029 31O 1dxz 0.000420 -0.000663 0.000959 0.000122 0.000111 -0.000193 31O 1dyz 0.000395 -0.000293 0.000416 -0.001206 0.002176 -0.001948 31O 1dx2y2 -0.000556 0.000239 -0.000415 -0.001056 0.001567 -0.001391 31O 1dxy 0.000649 0.000898 -0.000934 -0.000006 -0.000240 0.000357 31O 2dz2 -0.004980 -0.000375 -0.000346 0.000668 -0.000585 0.000553 31O 2dxz 0.000703 -0.000692 0.003120 0.001358 -0.001759 0.001278 31O 2dyz 0.001842 -0.001301 0.001692 -0.002674 0.005997 -0.005060 31O 2dx2y2 -0.002611 -0.000011 0.000269 -0.004058 0.006232 -0.005167 31O 2dxy 0.001326 0.003091 -0.002528 -0.001197 0.001793 -0.001209 31O 1f0 -0.000061 -0.000066 0.000195 0.000175 -0.000511 0.000507 31O 1f+1 0.000762 -0.000073 -0.000001 -0.000199 0.000170 -0.000267 31O 1f-1 -0.000065 0.000191 -0.000200 -0.000078 0.000062 -0.000163 31O 1f+2 -0.000089 0.000290 -0.000472 0.000020 -0.000208 -0.000002 31O 1f-2 -0.000308 -0.000043 0.000148 0.000513 -0.000767 0.000857 31O 1f+3 -0.000446 0.000276 -0.000178 -0.000556 0.000774 -0.001001 31O 1f-3 0.000384 0.000461 -0.000567 0.000039 0.000055 -0.000127 32O 1s -0.000068 -0.000051 0.001493 0.009815 0.000049 -0.000009 32O 2s -0.000168 -0.000128 0.003635 0.024022 0.000115 -0.000026 32O 3s 0.000257 0.000247 -0.006222 -0.041746 -0.000156 0.000088 32O 4s 0.000030 0.000113 -0.006233 -0.053153 -0.000678 -0.000190 32O 5s 0.004338 0.000398 -0.019189 -0.083396 0.001963 0.001055 32O 1pz -0.000093 0.014416 -0.004115 0.028639 0.002801 0.001624 32O 1px -0.000244 0.007258 0.017862 -0.083487 0.000258 0.000495 32O 1py -0.000287 0.000473 0.042364 -0.024208 -0.000111 0.000100 32O 2pz -0.000089 0.012966 -0.003562 0.023921 0.002808 0.001380 32O 2px -0.000435 0.006216 0.014810 -0.069691 0.000267 0.000447 32O 2py 0.000104 0.000351 0.034762 -0.019429 -0.000079 0.000197 32O 3pz -0.000469 -0.003959 -0.005649 0.025999 0.009994 0.006517 32O 3px -0.000863 0.001418 0.020416 -0.077823 0.002759 0.002211 32O 3py 0.001368 0.001096 0.024750 -0.026480 0.000341 -0.000558 32O 1dz2 -0.000007 0.000575 0.000051 -0.000475 -0.000043 -0.000019 32O 1dxz -0.000020 -0.000685 0.000172 -0.000892 0.000013 0.000016 32O 1dyz 0.000009 0.000517 0.000225 0.000082 -0.000091 -0.000050 32O 1dx2y2 0.000008 -0.000288 -0.000420 0.001446 0.000021 0.000004 32O 1dxy 0.000021 0.000230 -0.000668 -0.000283 -0.000038 -0.000019 32O 2dz2 -0.000424 0.002950 -0.000220 -0.001692 0.000097 0.000012 32O 2dxz -0.000087 -0.003982 0.000081 -0.004088 -0.000416 -0.000276 32O 2dyz 0.000163 0.000741 0.001446 0.000560 -0.000102 -0.000154 32O 2dx2y2 -0.000423 -0.001667 -0.000774 0.006514 -0.000268 -0.000195 32O 2dxy -0.000133 0.000539 -0.003942 -0.002066 -0.000142 -0.000120 32O 1f0 0.000073 0.000176 -0.000067 0.000567 0.000091 0.000057 32O 1f+1 -0.000070 0.000434 0.000163 -0.000514 0.000038 0.000028 32O 1f-1 -0.000008 0.000224 0.000403 -0.000318 0.000085 0.000054 32O 1f+2 -0.000031 -0.000266 -0.000102 -0.000428 -0.000023 -0.000008 32O 1f-2 0.000053 -0.000325 0.000407 -0.000516 -0.000129 -0.000088 32O 1f+3 0.000049 0.000172 -0.000484 -0.000162 0.000036 0.000028 32O 1f-3 0.000008 0.000151 0.000367 -0.000764 0.000073 0.000060 33O 1s -0.000066 0.002388 0.001804 0.005273 0.010170 -0.007493 33O 2s -0.000139 0.005755 0.004343 0.012840 0.024790 -0.018191 33O 3s -0.000072 -0.008886 -0.006638 -0.021603 -0.041665 0.029857 33O 4s 0.002118 -0.015234 -0.011830 -0.030695 -0.057613 0.046095 33O 5s -0.008905 -0.015310 -0.010424 -0.045444 -0.127756 0.108057 33O 1pz -0.047946 -0.014636 -0.004264 0.038034 0.066697 -0.088793 33O 1px -0.030126 -0.062682 -0.043033 0.026180 0.035591 -0.014964 33O 1py 0.077564 -0.025674 -0.027506 0.033936 0.056129 -0.059013 33O 2pz -0.040533 -0.015826 -0.006031 0.033638 0.053652 -0.071785 33O 2px -0.025335 -0.050446 -0.034969 0.023417 0.036050 -0.017111 33O 2py 0.065226 -0.023161 -0.023822 0.029808 0.048177 -0.049806 33O 3pz -0.032047 -0.005112 0.001103 0.028440 0.042654 -0.074307 33O 3px -0.018251 -0.041017 -0.024928 0.019248 0.050585 -0.039571 33O 3py 0.050148 -0.009150 -0.018988 0.027399 0.046102 -0.058487 33O 1dz2 -0.001151 -0.000122 0.000159 0.000965 0.001677 -0.001473 33O 1dxz -0.000004 -0.001248 -0.001000 -0.000226 -0.000821 0.000872 33O 1dyz 0.000862 0.000013 -0.000144 0.001001 0.001825 -0.001580 33O 1dx2y2 -0.000100 0.000769 0.000571 -0.000494 -0.000411 0.000321 33O 1dxy -0.000901 -0.000320 -0.000059 -0.000342 -0.000535 0.000563 33O 2dz2 -0.004551 0.000867 0.001137 0.003252 0.005661 -0.004693 33O 2dxz -0.000336 -0.003566 -0.003601 0.000050 0.000344 0.000062 33O 2dyz 0.002917 0.000611 -0.000195 0.003111 0.006259 -0.005139 33O 2dx2y2 -0.001148 0.002124 0.000621 -0.001855 -0.003394 0.002740 33O 2dxy -0.002420 -0.002130 -0.000199 -0.000820 -0.001003 0.001079 33O 1f0 0.000094 -0.000400 -0.000350 0.000003 0.000143 -0.000264 33O 1f+1 0.000701 0.000138 0.000164 -0.000492 -0.000569 0.000788 33O 1f-1 0.000202 -0.000247 -0.000141 -0.000284 -0.000666 0.000588 33O 1f+2 0.000316 0.000327 0.000356 0.000328 0.000372 -0.000306 33O 1f-2 -0.000380 0.000398 0.000292 -0.000329 -0.000575 0.000723 33O 1f+3 -0.000096 0.000376 0.000161 -0.000115 -0.000304 0.000439 33O 1f-3 -0.000576 -0.000115 -0.000103 -0.000229 -0.000198 0.000330 34O 1s -0.000080 -0.001771 0.002322 -0.005410 0.009945 0.007562 34O 2s -0.000172 -0.004276 0.005591 -0.013159 0.024226 0.018388 34O 3s -0.000043 0.006746 -0.008598 0.021913 -0.040482 -0.030659 34O 4s 0.002253 0.010657 -0.014820 0.032609 -0.057546 -0.043549 34O 5s -0.009379 0.012186 -0.014775 0.046120 -0.123720 -0.123704 34O 1pz 0.075994 0.033170 -0.030823 -0.034623 0.053324 0.053225 34O 1px 0.015569 -0.032257 0.044504 0.001017 0.005680 0.035912 34O 1py 0.053835 -0.026252 0.041247 0.048057 -0.075885 -0.088886 34O 2pz 0.063501 0.028451 -0.026940 -0.030743 0.046333 0.045774 34O 2px 0.012903 -0.024357 0.034268 0.001500 -0.001969 0.024857 34O 2py 0.045445 -0.024130 0.036681 0.042091 -0.064369 -0.074224 34O 3pz 0.051633 0.021546 -0.013766 -0.024978 0.048339 0.054083 34O 3px 0.009208 -0.023154 0.029948 0.000777 -0.017982 0.005066 34O 3py 0.034993 -0.007903 0.022446 0.038065 -0.060746 -0.084216 34O 1dz2 0.000365 0.000506 -0.000632 0.000363 -0.000865 -0.000867 34O 1dxz 0.001240 0.000296 -0.000038 -0.000743 0.001077 0.001032 34O 1dyz -0.000460 -0.000212 0.000170 0.000539 -0.001013 -0.000835 34O 1dx2y2 0.000711 -0.000869 0.001323 0.000393 -0.000157 0.000013 34O 1dxy 0.000702 0.000392 -0.000321 0.001169 -0.002006 -0.001921 34O 2dz2 0.002301 0.000935 -0.002547 0.000449 -0.001082 -0.001002 34O 2dxz 0.003875 0.000623 0.001185 -0.002414 0.003953 0.003300 34O 2dyz -0.002026 -0.000489 0.000756 0.001896 -0.003905 -0.003354 34O 2dx2y2 0.002919 -0.002607 0.003508 0.001861 -0.003684 -0.002711 34O 2dxy 0.002178 0.002548 -0.001923 0.003423 -0.005827 -0.004867 34O 1f0 -0.000526 -0.000035 0.000129 -0.000088 0.000344 0.000224 34O 1f+1 -0.000201 0.000094 -0.000245 0.000181 -0.000032 -0.000093 34O 1f-1 0.000448 0.000043 -0.000227 -0.000172 0.000261 0.000305 34O 1f+2 0.000349 0.000260 -0.000350 -0.000432 0.000795 0.000933 34O 1f-2 -0.000112 -0.000289 0.000413 -0.000229 0.000338 0.000349 34O 1f+3 -0.000268 0.000501 -0.000548 0.000211 -0.000170 -0.000080 34O 1f-3 -0.000608 0.000219 -0.000251 -0.000526 0.000614 0.000833 35O 1s 0.000019 -0.002302 -0.001523 -0.005272 -0.010051 -0.007568 35O 2s 0.000042 -0.005541 -0.003655 -0.012840 -0.024495 -0.018409 35O 3s 0.000024 0.008420 0.005440 0.021518 0.041056 0.030843 35O 4s -0.000704 0.014627 0.010358 0.029824 0.057374 0.042797 35O 5s -0.000095 0.023768 0.009680 0.063112 0.128504 0.125308 35O 1pz 0.047590 0.049934 0.032244 -0.051351 -0.081024 -0.089604 35O 1px 0.028391 -0.048174 -0.037293 0.009928 0.008871 -0.019662 35O 1py -0.076613 0.005541 0.013636 -0.028469 -0.047852 -0.061124 35O 2pz 0.039736 0.043876 0.028369 -0.044390 -0.069554 -0.075626 35O 2px 0.023604 -0.036792 -0.028977 0.010794 0.014160 -0.011597 35O 2py -0.064462 0.007620 0.013049 -0.024124 -0.038544 -0.050127 35O 3pz 0.032158 0.026162 0.014654 -0.044547 -0.068660 -0.087888 35O 3px 0.016974 -0.027826 -0.026584 0.011615 0.028967 0.008287 35O 3py -0.051590 -0.003649 0.008629 -0.021352 -0.033250 -0.048863 35O 1dz2 0.000536 0.000874 0.000547 -0.000326 -0.000290 -0.000136 35O 1dxz 0.000867 -0.000100 -0.000209 -0.000945 -0.001524 -0.001461 35O 1dyz -0.000086 0.000126 0.000118 -0.000994 -0.001761 -0.001538 35O 1dx2y2 0.001140 -0.000794 -0.000767 0.000367 0.000307 0.000233 35O 1dxy -0.000786 -0.000978 -0.000487 -0.000626 -0.001326 -0.001304 35O 2dz2 0.003100 0.001861 0.002132 -0.001821 -0.003137 -0.002331 35O 2dxz 0.002897 -0.001415 -0.001801 -0.002779 -0.004577 -0.003668 35O 2dyz -0.000931 0.000400 -0.000569 -0.002829 -0.005777 -0.004891 35O 2dx2y2 0.003830 -0.001251 -0.001766 0.002532 0.003143 0.002310 35O 2dxy -0.002080 -0.003520 -0.001238 -0.000596 -0.002213 -0.002165 35O 1f0 -0.000718 -0.000180 -0.000284 0.000303 0.000373 0.000528 35O 1f+1 -0.000094 0.000527 0.000454 0.000058 -0.000034 -0.000041 35O 1f-1 0.000168 -0.000086 -0.000036 0.000446 0.000923 0.000922 35O 1f+2 -0.000070 0.000058 0.000036 -0.000464 -0.000658 -0.000793 35O 1f-2 -0.000030 0.000537 0.000302 -0.000158 -0.000118 -0.000272 35O 1f+3 -0.000569 0.000335 0.000168 -0.000144 -0.000140 -0.000289 35O 1f-3 0.000378 0.000179 0.000088 0.000249 0.000206 0.000289 120 121 122 123 124 125 -0.01600 -0.01564 -0.00964 -0.00348 0.00814 0.02045 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s 0.000015 -0.000012 0.000035 -0.000136 -0.001871 0.002369 0Rh 2s -0.000037 0.000035 -0.000120 0.000529 0.007459 -0.007083 0Rh 3s 0.000065 -0.000048 0.000128 -0.000460 -0.006235 0.009365 0Rh 4s 0.000149 -0.000146 0.000515 -0.002297 -0.032519 0.029775 0Rh 5s 0.000035 0.000018 -0.000328 0.001902 0.028984 -0.008164 0Rh 6s -0.000792 0.000666 -0.001092 0.003555 0.041160 -0.107305 0Rh 7s 0.004684 0.002766 0.003105 0.026271 0.569128 0.068827 0Rh 8s -0.002716 -0.045216 -0.006343 -0.076922 -1.401295 1.781496 0Rh 1pz -0.004150 0.001833 0.000054 -0.000079 -0.000664 0.001171 0Rh 1px -0.001664 -0.000181 -0.000044 0.000163 0.001771 -0.003733 0Rh 1py 0.001655 0.004331 -0.000024 0.000086 0.000379 -0.000737 0Rh 2pz 0.014167 -0.006257 -0.000177 0.000267 0.002129 -0.003882 0Rh 2px 0.005678 0.000624 0.000143 -0.000538 -0.005550 0.012380 0Rh 2py -0.005650 -0.014785 0.000078 -0.000286 -0.001207 0.002474 0Rh 3pz -0.012245 0.005434 0.000036 -0.000189 0.000714 0.001169 0Rh 3px -0.004835 -0.000635 0.000009 0.000149 -0.004369 -0.003803 0Rh 3py 0.004885 0.012723 -0.000001 0.000111 -0.000565 -0.001324 0Rh 4pz -0.017115 0.007448 0.000649 -0.000461 -0.011774 0.012959 0Rh 4px -0.007153 -0.000422 -0.000625 0.001770 0.039865 -0.041071 0Rh 4py 0.006803 0.018100 -0.000344 0.000830 0.007281 -0.006145 0Rh 5pz -0.006855 0.003273 -0.000768 0.000009 0.014551 -0.015591 0Rh 5px -0.002014 -0.000783 0.000543 -0.001484 -0.053435 0.048795 0Rh 5py 0.002864 0.006585 0.000583 -0.000740 -0.009273 0.005896 0Rh 6pz 0.151725 -0.065766 0.002489 0.002720 -0.068241 0.222369 0Rh 6px 0.049268 0.012157 -0.001216 -0.000143 0.141568 -0.668441 0Rh 6py -0.059016 -0.149576 -0.009290 0.000289 0.009949 -0.099884 0Rh 1dz2 -0.002286 -0.000010 0.035021 0.000386 0.007403 -0.006207 0Rh 1dxz 0.001085 -0.000454 0.015879 0.000584 0.008633 -0.008379 0Rh 1dyz 0.000978 0.000344 -0.017185 -0.000397 0.001880 -0.002055 0Rh 1dx2y2 0.000033 0.000524 0.025167 -0.000044 -0.013390 0.013605 0Rh 1dxy -0.000116 -0.002019 0.003016 -0.000444 -0.006502 0.006224 0Rh 2dz2 0.000137 0.000010 -0.001342 -0.000015 -0.000336 0.000462 0Rh 2dxz -0.000072 0.000021 -0.000621 -0.000022 -0.000424 0.000604 0Rh 2dyz -0.000042 -0.000027 0.000653 0.000013 -0.000093 0.000141 0Rh 2dx2y2 -0.000004 -0.000036 -0.000978 0.000003 0.000632 -0.000944 0Rh 2dxy 0.000001 0.000121 -0.000112 0.000027 0.000312 -0.000433 0Rh 3dz2 0.003280 -0.000022 -0.053539 -0.000588 -0.011059 0.008529 0Rh 3dxz -0.001525 0.000674 -0.024290 -0.000891 -0.012783 0.011626 0Rh 3dyz -0.001473 -0.000472 0.026308 0.000615 -0.002781 0.002885 0Rh 3dx2y2 -0.000028 -0.000733 -0.038406 0.000053 0.019871 -0.018978 0Rh 3dxy 0.000186 0.002894 -0.004636 0.000635 0.009676 -0.008723 0Rh 4dz2 0.005099 0.000114 -0.068750 -0.000767 -0.014923 0.015033 0Rh 4dxz -0.002503 0.000934 -0.031095 -0.001133 -0.017705 0.020011 0Rh 4dyz -0.001971 -0.000818 0.033667 0.000736 -0.003883 0.004818 0Rh 4dx2y2 -0.000131 -0.001220 -0.049577 0.000098 0.027318 -0.032165 0Rh 4dxy 0.000206 0.004514 -0.005851 0.000986 0.013284 -0.014579 0Rh 5dz2 0.000188 -0.000406 -0.041223 -0.000397 -0.010309 -0.004528 0Rh 5dxz 0.000275 0.000367 -0.018964 -0.000968 -0.011174 -0.004636 0Rh 5dyz -0.000930 -0.000269 0.020576 0.000870 -0.001923 -0.001386 0Rh 5dx2y2 0.000463 0.000223 -0.029277 0.000337 0.018181 0.006032 0Rh 5dxy 0.000207 -0.000305 -0.003577 0.000208 0.007795 0.002506 0Rh 1f0 0.004762 0.002478 -0.000633 0.000145 0.000163 -0.000869 0Rh 1f+1 0.002358 -0.000150 0.000508 -0.000013 -0.000119 0.000626 0Rh 1f-1 -0.002748 0.006196 0.000322 0.000083 -0.000077 0.000179 0Rh 1f+2 0.004602 0.001207 0.000136 -0.000026 -0.000163 0.000929 0Rh 1f-2 0.000433 0.003089 -0.000281 0.000044 0.000016 0.000221 0Rh 1f+3 -0.001972 0.000474 -0.000625 -0.000099 -0.000155 0.001051 0Rh 1f-3 0.000174 -0.002328 -0.000260 -0.000130 0.000083 0.000463 1Rh 1s -0.000026 0.000006 0.000034 -0.000137 -0.001857 -0.002380 1Rh 2s 0.000075 -0.000012 -0.000118 0.000534 0.007417 0.007126 1Rh 3s -0.000103 0.000027 0.000125 -0.000464 -0.006177 -0.009401 1Rh 4s -0.000314 0.000046 0.000507 -0.002316 -0.032346 -0.029963 1Rh 5s 0.000078 0.000062 -0.000330 0.001920 0.028957 0.008338 1Rh 6s 0.001133 -0.000495 -0.001050 0.003580 0.040465 0.107517 1Rh 7s -0.005349 -0.002273 0.002995 0.026279 0.570051 -0.064405 1Rh 8s 0.002829 0.043081 -0.006386 -0.077243 -1.391190 -1.792017 1Rh 1pz -0.004148 0.001833 -0.000098 0.000077 0.000658 0.001171 1Rh 1px -0.001672 -0.000188 0.000021 -0.000160 -0.001740 -0.003728 1Rh 1py 0.001651 0.004333 0.000064 -0.000125 -0.000379 -0.000739 1Rh 2pz 0.014161 -0.006259 0.000328 -0.000260 -0.002108 -0.003883 1Rh 2px 0.005703 0.000646 -0.000064 0.000527 0.005447 0.012361 1Rh 2py -0.005636 -0.014788 -0.000216 0.000419 0.001209 0.002479 1Rh 3pz -0.012239 0.005438 -0.000170 0.000182 -0.000720 0.001161 1Rh 3px -0.004856 -0.000649 -0.000078 -0.000138 0.004412 -0.003727 1Rh 3py 0.004876 0.012726 0.000122 -0.000225 0.000554 -0.001316 1Rh 4pz -0.017112 0.007442 -0.000820 0.000451 0.011704 0.012989 1Rh 4px -0.007183 -0.000467 0.000534 -0.001763 -0.039561 -0.041252 1Rh 4py 0.006776 0.018105 0.000504 -0.001000 -0.007248 -0.006195 1Rh 5pz -0.006837 0.003295 0.000670 0.000002 -0.014460 -0.015620 1Rh 5px -0.002042 -0.000770 -0.000587 0.001502 0.053097 0.049134 1Rh 5py 0.002885 0.006586 -0.000512 0.000700 0.009195 0.005973 1Rh 6pz 0.151321 -0.065857 -0.000665 -0.002797 0.066806 0.221469 1Rh 6px 0.049482 0.012306 0.002032 -0.000064 -0.137224 -0.669849 1Rh 6py -0.059432 -0.149448 0.007697 0.000997 -0.008754 -0.100174 1Rh 1dz2 0.001706 -0.000096 0.035105 0.000386 0.007382 0.006246 1Rh 1dxz -0.001309 0.000418 0.015899 0.000552 0.008647 0.008464 1Rh 1dyz -0.000942 -0.000451 -0.017184 -0.000391 0.001854 0.002045 1Rh 1dx2y2 -0.000423 -0.000601 0.025200 -0.000040 -0.013371 -0.013717 1Rh 1dxy -0.000032 0.001966 0.003064 -0.000465 -0.006496 -0.006268 1Rh 2dz2 -0.000115 -0.000005 -0.001346 -0.000015 -0.000335 -0.000465 1Rh 2dxz 0.000080 -0.000020 -0.000625 -0.000020 -0.000423 -0.000607 1Rh 2dyz 0.000041 0.000032 0.000654 0.000013 -0.000092 -0.000140 1Rh 2dx2y2 0.000020 0.000039 -0.000980 0.000003 0.000631 0.000953 1Rh 2dxy 0.000004 -0.000119 -0.000115 0.000029 0.000312 0.000435 1Rh 3dz2 -0.002393 0.000180 -0.053668 -0.000588 -0.011028 -0.008583 1Rh 3dxz 0.001868 -0.000615 -0.024309 -0.000847 -0.012807 -0.011752 1Rh 3dyz 0.001415 0.000631 0.026305 0.000604 -0.002741 -0.002873 1Rh 3dx2y2 0.000619 0.000850 -0.038453 0.000047 0.019844 0.019132 1Rh 3dxy 0.000041 -0.002813 -0.004703 0.000662 0.009667 0.008790 1Rh 4dz2 -0.003968 0.000103 -0.068906 -0.000770 -0.014872 -0.015119 1Rh 4dxz 0.002936 -0.000874 -0.031163 -0.001056 -0.017711 -0.020171 1Rh 4dyz 0.001900 0.001032 0.033668 0.000722 -0.003832 -0.004787 1Rh 4dx2y2 0.000909 0.001371 -0.049645 0.000089 0.027259 0.032417 1Rh 4dxy 0.000083 -0.004410 -0.005959 0.001038 0.013270 0.014667 1Rh 5dz2 0.000525 0.000505 -0.041364 -0.000389 -0.010332 0.004480 1Rh 5dxz -0.000009 -0.000287 -0.018903 -0.000988 -0.011286 0.004476 1Rh 5dyz 0.000907 0.000384 0.020558 0.000856 -0.001869 0.001324 1Rh 5dx2y2 -0.000026 -0.000128 -0.029320 0.000338 0.018280 -0.005962 1Rh 5dxy -0.000022 0.000373 -0.003580 0.000177 0.007807 -0.002460 1Rh 1f0 0.004750 0.002471 0.000703 -0.000178 -0.000166 -0.000868 1Rh 1f+1 0.002373 -0.000148 -0.000482 0.000008 0.000116 0.000631 1Rh 1f-1 -0.002742 0.006201 -0.000355 -0.000093 0.000073 0.000175 1Rh 1f+2 0.004609 0.001208 -0.000061 -0.000003 0.000149 0.000924 1Rh 1f-2 0.000435 0.003090 0.000292 -0.000058 -0.000019 0.000226 1Rh 1f+3 -0.001975 0.000480 0.000596 0.000106 0.000154 0.001053 1Rh 1f-3 0.000169 -0.002328 0.000256 0.000144 -0.000081 0.000462 2C 1s -0.001184 0.001216 0.000018 -0.001037 -0.011955 0.001089 2C 2s -0.002685 0.002850 0.000008 -0.002305 -0.026929 0.002427 2C 3s 0.007154 -0.009899 0.000806 0.005469 0.075970 -0.007389 2C 4s -0.009561 0.026185 -0.005371 -0.001026 -0.079494 0.005720 2C 5s 0.169039 -0.300764 0.042953 0.089829 1.543950 -0.143579 2C 1pz 0.004315 -0.003219 -0.000904 -0.000882 -0.000540 0.004318 2C 1px 0.001417 -0.001819 -0.000106 -0.001790 -0.003107 -0.010729 2C 1py 0.002863 -0.001036 -0.002146 0.005327 0.000660 -0.000333 2C 2pz 0.004638 -0.005474 -0.000255 -0.000180 0.007765 -0.007611 2C 2px 0.001313 -0.000366 0.000144 0.000172 0.000292 0.001473 2C 2py 0.004889 -0.001784 -0.002091 0.005659 0.005497 -0.006565 2C 3pz 0.013106 -0.074059 0.030372 -0.012857 0.105257 -0.017829 2C 3px -0.003072 -0.038096 0.017061 -0.016677 -0.011288 0.048869 2C 3py 0.076198 -0.003992 -0.057538 0.048472 0.085655 0.017216 2C 1dz2 -0.006775 -0.004224 0.005262 -0.005732 0.001176 0.000067 2C 1dxz -0.006459 -0.004191 0.005250 -0.005553 0.000305 0.000393 2C 1dyz 0.003689 0.002795 -0.002952 0.003477 0.000863 -0.000825 2C 1dx2y2 -0.005817 -0.003691 0.004588 -0.004971 0.000389 -0.000633 2C 1dxy 0.004028 0.002736 -0.003478 0.003362 0.000019 -0.000030 2C 2dz2 -0.022139 -0.015079 0.019018 -0.017927 0.002927 -0.006395 2C 2dxz -0.017872 -0.013633 0.014938 -0.016005 0.006352 0.001295 2C 2dyz 0.014037 0.008232 -0.011365 0.011011 0.001667 -0.000186 2C 2dx2y2 -0.018426 -0.010950 0.015053 -0.014594 -0.000699 0.006755 2C 2dxy 0.010103 0.006245 -0.007126 0.010317 0.001040 0.004262 2C 1f0 -0.004032 -0.002377 0.003072 -0.003410 -0.001030 0.000439 2C 1f+1 -0.000665 -0.000202 0.000435 -0.000423 -0.000173 0.000366 2C 1f-1 -0.000273 0.000242 0.000042 -0.000161 -0.001788 -0.000254 2C 1f+2 -0.002259 -0.001958 0.001965 -0.001860 0.003093 -0.000728 2C 1f-2 -0.001169 -0.000492 0.000772 -0.001060 -0.002518 0.000505 2C 1f+3 -0.000757 -0.000723 0.000749 -0.000630 0.002576 -0.000491 2C 1f-3 0.001794 0.001288 -0.001457 0.001598 0.000145 0.000401 3C 1s -0.001097 -0.001367 -0.000071 -0.001239 -0.011977 -0.001246 3C 2s -0.002611 -0.003041 -0.000052 -0.002726 -0.026962 -0.002843 3C 3s 0.009775 0.007169 -0.002195 0.006472 0.076717 0.008423 3C 4s -0.028165 -0.005836 0.013139 -0.001596 -0.082386 -0.011436 3C 5s 0.311143 0.139547 -0.086545 0.066481 1.533066 0.168568 3C 1pz -0.000199 0.002913 0.002306 0.006299 0.002832 0.002398 3C 1px 0.000929 0.002485 0.001502 0.001508 -0.003172 -0.011196 3C 1py -0.002979 -0.005645 -0.001671 0.000180 0.001472 0.000404 3C 2pz 0.002660 0.004358 0.001692 0.004423 0.007309 0.001526 3C 2px 0.001451 0.003366 0.000730 0.002427 0.003360 0.001603 3C 2py -0.004767 -0.004528 -0.000544 0.000895 -0.006188 -0.000041 3C 3pz -0.010625 0.068187 0.054545 0.051545 0.096691 -0.033647 3C 3px 0.016456 0.023663 0.015840 0.004103 0.014040 0.064524 3C 3py -0.085405 -0.011859 0.036713 0.020580 -0.092175 0.019502 3C 1dz2 -0.002452 0.004032 0.002876 0.003630 -0.000551 -0.000031 3C 1dxz -0.003095 0.004680 0.003718 0.004151 -0.000066 0.001025 3C 1dyz 0.004634 -0.006433 -0.005226 -0.005922 -0.000856 0.000311 3C 1dx2y2 -0.005041 0.007880 0.006230 0.006888 -0.000802 -0.000567 3C 1dxy -0.001615 0.002591 0.002178 0.002163 -0.000525 0.000034 3C 2dz2 -0.010290 0.015836 0.013929 0.011747 -0.001257 -0.002984 3C 2dxz -0.008766 0.014204 0.011651 0.011740 -0.000844 -0.002864 3C 2dyz 0.012708 -0.020960 -0.016060 -0.018351 -0.001268 -0.000593 3C 2dx2y2 -0.016651 0.022847 0.018953 0.020866 -0.004413 0.005220 3C 2dxy -0.004996 0.006001 0.004681 0.006501 -0.004323 -0.007916 3C 1f0 -0.001104 0.001650 0.001342 0.001475 -0.000845 -0.000205 3C 1f+1 -0.001272 0.001783 0.001440 0.001585 -0.000606 0.000406 3C 1f-1 0.002622 -0.004151 -0.003124 -0.003691 -0.001102 0.000089 3C 1f+2 0.000437 0.000141 -0.000259 0.000258 0.004269 0.000792 3C 1f-2 0.001179 -0.001132 -0.001107 -0.000893 0.002873 0.000015 3C 1f+3 -0.000439 0.000142 0.000269 0.000241 -0.000771 -0.000101 3C 1f-3 -0.000824 0.001494 0.001131 0.001173 -0.000253 -0.000346 4C 1s 0.000983 -0.001044 -0.000231 0.000417 0.004525 -0.000618 4C 2s 0.002357 -0.002551 -0.000504 0.000979 0.010297 -0.001484 4C 3s -0.008265 0.009675 0.001011 -0.002672 -0.036021 0.007365 4C 4s 0.016673 -0.019513 0.000927 0.005305 0.079330 -0.017313 4C 5s -0.126365 0.215904 -0.017955 -0.029901 -0.214435 0.078897 4C 1pz -0.120327 -0.075520 0.094572 -0.098375 -0.006481 -0.003476 4C 1px -0.074643 -0.047918 0.059228 -0.061119 0.000743 0.027362 4C 1py 0.198096 0.130138 -0.157845 0.162207 -0.024473 0.003243 4C 2pz -0.128142 -0.075964 0.103303 -0.100898 -0.009649 -0.021215 4C 2px -0.076871 -0.049318 0.063952 -0.065997 -0.010357 0.053959 4C 2py 0.207560 0.141721 -0.174179 0.166077 -0.030763 0.005078 4C 3pz -0.072065 -0.152202 0.096878 -0.078760 0.533472 0.043866 4C 3px -0.064225 -0.040000 0.049931 -0.068031 0.063709 -0.158475 4C 3py 0.232154 0.077941 -0.148610 0.198674 0.318870 -0.048541 4C 1dz2 0.005262 0.002489 -0.003902 0.004412 0.000328 -0.000406 4C 1dxz 0.002112 0.001057 -0.001636 0.001592 -0.001832 0.000739 4C 1dyz -0.001853 -0.002654 0.002140 -0.001973 0.003192 -0.000379 4C 1dx2y2 0.003257 0.002450 -0.002753 0.003254 0.002821 -0.000612 4C 1dxy 0.000757 0.000190 -0.000402 0.000738 0.002068 -0.000112 4C 2dz2 0.004417 0.003948 -0.003738 0.006497 0.000945 -0.001354 4C 2dxz 0.003087 0.001941 -0.001849 0.002766 -0.011687 0.011916 4C 2dyz -0.002355 -0.001113 0.001706 -0.001692 0.021973 0.001697 4C 2dx2y2 0.005545 0.002741 -0.003933 0.005148 0.018623 -0.005450 4C 2dxy 0.001011 0.000222 -0.001381 0.000100 0.013972 0.004169 4C 1f0 -0.000560 0.000129 0.000217 -0.000539 -0.001356 0.000042 4C 1f+1 -0.001068 0.000384 0.000533 -0.000884 -0.003165 0.000813 4C 1f-1 0.000176 0.000372 -0.000251 0.000263 -0.001087 -0.000005 4C 1f+2 0.001153 -0.000183 -0.000736 0.000625 0.002719 -0.000525 4C 1f-2 0.001124 0.000739 -0.001127 0.001050 -0.000885 0.000242 4C 1f+3 -0.001526 -0.000991 0.001436 -0.001500 0.000229 0.000052 4C 1f-3 0.000768 0.001473 -0.001167 0.001430 -0.002559 0.000210 5C 1s 0.000985 0.001089 0.000162 0.000575 0.004446 0.000621 5C 2s 0.002405 0.002607 0.000357 0.001343 0.010129 0.001461 5C 3s -0.009619 -0.007334 -0.000029 -0.003028 -0.036186 -0.004684 5C 4s 0.020906 0.007589 -0.003438 0.002349 0.082153 0.009695 5C 5s -0.215085 -0.125761 0.035656 -0.016208 -0.198988 -0.058553 5C 1pz -0.129996 0.197694 0.155149 0.167149 -0.018356 -0.009992 5C 1px -0.026008 0.038955 0.030993 0.032953 -0.006320 0.024195 5C 1py -0.084902 0.134487 0.104029 0.113532 0.008832 0.006603 5C 2pz -0.140259 0.205232 0.171378 0.170753 -0.020271 -0.016514 5C 2px -0.029600 0.042900 0.033622 0.034834 -0.012336 0.052594 5C 2py -0.086956 0.145732 0.114332 0.119934 0.014079 0.011765 5C 3pz -0.074622 0.215136 0.138804 0.191126 0.287516 0.058775 5C 3px 0.003798 0.060050 0.019652 0.051178 0.186725 -0.177636 5C 3py -0.157755 0.101590 0.110925 0.110864 -0.510661 -0.041965 5C 1dz2 0.003075 -0.005185 -0.003970 -0.004873 -0.002723 -0.000432 5C 1dxz 0.001711 -0.001985 -0.001743 -0.002098 -0.001506 -0.000158 5C 1dyz -0.002322 0.001550 0.001877 0.001700 -0.003573 -0.000404 5C 1dx2y2 0.001479 -0.003591 -0.002567 -0.002857 0.001708 0.000719 5C 1dxy -0.000364 -0.000609 -0.000145 -0.000297 -0.000612 -0.000365 5C 2dz2 0.003399 -0.005289 -0.003930 -0.006477 -0.016960 -0.004123 5C 2dxz 0.001749 -0.002099 -0.002745 -0.002322 -0.008399 0.004689 5C 2dyz -0.001078 0.002782 0.000765 0.001459 -0.025245 0.004975 5C 2dx2y2 0.003756 -0.004566 -0.003573 -0.005798 0.013076 0.006207 5C 2dxy 0.001817 -0.002296 -0.000265 -0.002832 -0.003663 -0.006304 5C 1f0 -0.000861 0.000778 0.000757 0.000956 -0.000755 -0.000032 5C 1f+1 -0.001284 0.000945 0.001198 0.001458 -0.002004 -0.000333 5C 1f-1 -0.000371 0.000827 0.000770 0.000566 0.000074 0.000101 5C 1f+2 0.001086 -0.001367 -0.001353 -0.001426 0.001001 0.000156 5C 1f-2 0.000343 0.000576 0.000396 0.000285 0.002596 -0.000124 5C 1f+3 -0.000726 -0.000174 0.000221 -0.000005 -0.002798 -0.000037 5C 1f-3 0.000126 0.001363 0.000853 0.001283 0.002940 0.000434 6C 1s -0.000971 -0.001072 0.000142 0.000580 0.004453 -0.000612 6C 2s -0.002374 -0.002565 0.000309 0.001354 0.010144 -0.001437 6C 3s 0.009576 0.007230 0.000160 -0.003074 -0.036153 0.004454 6C 4s -0.021101 -0.007527 -0.003818 0.002427 0.081677 -0.008450 6C 5s 0.212647 0.124146 0.039268 -0.016573 -0.197563 0.055730 6C 1pz -0.128502 0.197272 -0.156608 -0.167506 0.018316 -0.009865 6C 1px -0.025752 0.038965 -0.031360 -0.033084 0.006143 0.024232 6C 1py -0.083943 0.134154 -0.104979 -0.113776 -0.008938 0.006631 6C 2pz -0.138542 0.204802 -0.172924 -0.171119 0.020459 -0.016504 6C 2px -0.029292 0.042849 -0.033866 -0.034976 0.011822 0.052640 6C 2py -0.085896 0.145439 -0.115276 -0.120302 -0.014342 0.011898 6C 3pz -0.073544 0.214393 -0.139627 -0.191362 -0.287408 0.056377 6C 3px 0.003932 0.059766 -0.019330 -0.051406 -0.185679 -0.180494 6C 3py -0.156691 0.101319 -0.113339 -0.110633 0.510168 -0.037202 6C 1dz2 -0.003038 0.005161 -0.004000 -0.004875 -0.002715 0.000408 6C 1dxz -0.001687 0.001975 -0.001763 -0.002094 -0.001501 0.000147 6C 1dyz 0.002295 -0.001567 0.001916 0.001709 -0.003565 0.000372 6C 1dx2y2 -0.001472 0.003583 -0.002588 -0.002869 0.001716 -0.000709 6C 1dxy 0.000356 0.000594 -0.000131 -0.000294 -0.000621 0.000357 6C 2dz2 -0.003307 0.005265 -0.003914 -0.006463 -0.016992 0.003971 6C 2dxz -0.001685 0.002134 -0.002772 -0.002326 -0.008271 -0.004763 6C 2dyz 0.001137 -0.002786 0.000774 0.001466 -0.025133 -0.005203 6C 2dx2y2 -0.003759 0.004524 -0.003674 -0.005807 0.013038 -0.006037 6C 2dxy -0.001814 0.002285 -0.000278 -0.002867 -0.003851 0.006364 6C 1f0 -0.000855 0.000778 -0.000770 -0.000958 0.000745 -0.000021 6C 1f+1 -0.001274 0.000937 -0.001216 -0.001452 0.002002 -0.000314 6C 1f-1 -0.000361 0.000824 -0.000770 -0.000567 -0.000080 0.000104 6C 1f+2 0.001075 -0.001363 0.001367 0.001426 -0.000997 0.000148 6C 1f-2 0.000347 0.000581 -0.000395 -0.000294 -0.002584 -0.000148 6C 1f+3 -0.000728 -0.000167 -0.000242 0.000006 0.002792 -0.000013 6C 1f-3 0.000136 0.001363 -0.000848 -0.001290 -0.002935 0.000410 7C 1s -0.000957 0.001059 -0.000225 0.000398 0.004517 0.000654 7C 2s -0.002298 0.002584 -0.000489 0.000936 0.010276 0.001568 7C 3s 0.008147 -0.009776 0.000948 -0.002611 -0.035803 -0.007611 7C 4s -0.016644 0.019877 0.001224 0.005444 0.078492 0.017613 7C 5s 0.127853 -0.215653 -0.015712 -0.030761 -0.213215 -0.082642 7C 1pz -0.119081 -0.075261 -0.096830 0.099681 0.006692 -0.003351 7C 1px -0.073554 -0.047552 -0.060356 0.061685 -0.000714 0.027327 7C 1py 0.194828 0.128943 0.160594 -0.163349 0.023975 0.003395 7C 2pz -0.126870 -0.075750 -0.105916 0.102199 0.010029 -0.021121 7C 2px -0.075726 -0.048911 -0.065321 0.066537 0.010466 0.054341 7C 2py 0.203867 0.140363 0.176801 -0.167221 0.030377 0.005323 7C 3pz -0.070390 -0.152801 -0.098601 0.079991 -0.532811 0.040415 7C 3px -0.063270 -0.039564 -0.050973 0.068202 -0.061677 -0.160031 7C 3py 0.229251 0.075800 0.151438 -0.200239 -0.320358 -0.050913 7C 1dz2 -0.005206 -0.002477 -0.003994 0.004454 0.000315 0.000410 7C 1dxz -0.002087 -0.001059 -0.001669 0.001608 -0.001830 -0.000756 7C 1dyz 0.001804 0.002643 0.002169 -0.001990 0.003196 0.000416 7C 1dx2y2 -0.003182 -0.002416 -0.002793 0.003268 0.002799 0.000649 7C 1dxy -0.000748 -0.000185 -0.000412 0.000744 0.002055 0.000126 7C 2dz2 -0.004347 -0.003916 -0.003864 0.006467 0.000921 0.001393 7C 2dxz -0.003125 -0.001963 -0.001954 0.002762 -0.011591 -0.012100 7C 2dyz 0.002335 0.001122 0.001728 -0.001756 0.021999 -0.001566 7C 2dx2y2 -0.005391 -0.002608 -0.003877 0.005206 0.018469 0.005573 7C 2dxy -0.000948 -0.000143 -0.001292 0.000080 0.013925 -0.004148 7C 1f0 -0.000563 0.000134 -0.000229 0.000548 0.001340 0.000062 7C 1f+1 -0.001056 0.000396 -0.000539 0.000891 0.003133 0.000824 7C 1f-1 0.000175 0.000375 0.000257 -0.000271 0.001075 -0.000003 7C 1f+2 0.001143 -0.000186 0.000754 -0.000640 -0.002715 -0.000555 7C 1f-2 0.001104 0.000733 0.001139 -0.001059 0.000886 0.000256 7C 1f+3 -0.001502 -0.000984 -0.001460 0.001513 -0.000225 0.000046 7C 1f-3 0.000742 0.001464 0.001186 -0.001431 0.002544 0.000219 8C 1s 0.001069 0.001331 -0.000047 -0.001240 -0.011958 0.001144 8C 2s 0.002548 0.002961 0.000003 -0.002730 -0.026920 0.002613 8C 3s -0.009589 -0.006999 -0.002368 0.006534 0.076596 -0.007794 8C 4s 0.027913 0.005873 0.013508 -0.001932 -0.082305 0.010917 8C 5s -0.307186 -0.137440 -0.091395 0.068054 1.530037 -0.154530 8C 1pz -0.000204 0.002836 -0.002267 -0.006288 -0.002822 0.002363 8C 1px 0.000950 0.002470 -0.001469 -0.001503 0.003274 -0.011122 8C 1py -0.002958 -0.005562 0.001580 -0.000184 -0.001382 0.000372 8C 2pz 0.002594 0.004305 -0.001654 -0.004406 -0.007193 0.001443 8C 2px 0.001352 0.003305 -0.000690 -0.002450 -0.003293 0.001457 8C 2py -0.004654 -0.004346 0.000362 -0.000988 0.006115 0.000092 8C 3pz -0.010147 0.067749 -0.054205 -0.051619 -0.095946 -0.035155 8C 3px 0.016867 0.023785 -0.015529 -0.004051 -0.014128 0.065420 8C 3py -0.084882 -0.011495 -0.038226 -0.020463 0.092558 0.020768 8C 1dz2 0.002425 -0.004021 0.002905 0.003636 -0.000547 0.000008 8C 1dxz 0.003124 -0.004767 0.003838 0.004242 -0.000065 -0.001028 8C 1dyz -0.004564 0.006375 -0.005248 -0.005896 -0.000850 -0.000330 8C 1dx2y2 0.004953 -0.007821 0.006252 0.006866 -0.000802 0.000574 8C 1dxy 0.001619 -0.002624 0.002228 0.002201 -0.000521 -0.000032 8C 2dz2 0.010154 -0.015833 0.014061 0.011796 -0.001286 0.003079 8C 2dxz 0.008805 -0.014390 0.011885 0.011999 -0.000882 0.002822 8C 2dyz -0.012508 0.020763 -0.016073 -0.018286 -0.001291 0.000572 8C 2dx2y2 0.016390 -0.022724 0.019071 0.020852 -0.004261 -0.005377 8C 2dxy 0.004998 -0.006090 0.004805 0.006629 -0.004355 0.007833 8C 1f0 -0.001087 0.001646 -0.001350 -0.001479 0.000852 -0.000186 8C 1f+1 -0.001238 0.001758 -0.001433 -0.001572 0.000533 0.000415 8C 1f-1 0.002603 -0.004144 0.003157 0.003707 0.001085 0.000098 8C 1f+2 0.000437 0.000120 0.000277 -0.000246 -0.004247 0.000754 8C 1f-2 0.001157 -0.001115 0.001112 0.000874 -0.002907 -0.000000 8C 1f+3 -0.000439 0.000148 -0.000275 -0.000249 0.000742 -0.000082 8C 1f-3 -0.000824 0.001514 -0.001158 -0.001197 0.000227 -0.000339 9C 1s 0.001164 -0.001247 0.000012 -0.001005 -0.011940 -0.001211 9C 2s 0.002645 -0.002918 0.000000 -0.002236 -0.026895 -0.002702 9C 3s -0.007176 0.010034 0.000694 0.005342 0.075807 0.008169 9C 4s 0.010205 -0.026088 -0.004610 -0.001189 -0.079082 -0.006499 9C 5s -0.172001 0.302872 0.039703 0.090507 1.541382 0.158476 9C 1pz 0.004132 -0.003269 0.000785 0.001033 0.000366 0.004383 9C 1px 0.001366 -0.001805 0.000057 0.001835 0.003181 -0.010668 9C 1py 0.002800 -0.001155 0.002150 -0.005211 -0.000492 -0.000330 9C 2pz 0.004440 -0.005594 0.000026 0.000307 -0.007820 -0.007820 9C 2px 0.001285 -0.000435 -0.000199 -0.000127 -0.000273 0.001501 9C 2py 0.004781 -0.001877 0.001998 -0.005669 -0.005354 -0.006600 9C 3pz 0.013179 -0.074028 -0.030900 0.013056 -0.105655 -0.018229 9C 3px -0.003178 -0.037734 -0.017553 0.017142 0.011513 0.049584 9C 3py 0.075732 -0.004980 0.058808 -0.048615 -0.084944 0.016101 9C 1dz2 0.006660 0.004178 0.005349 -0.005767 0.001159 -0.000057 9C 1dxz 0.006327 0.004132 0.005319 -0.005569 0.000282 -0.000411 9C 1dyz -0.003475 -0.002666 -0.002873 0.003372 0.000879 0.000834 9C 1dx2y2 0.005921 0.003786 0.004843 -0.005173 0.000380 0.000626 9C 1dxy -0.003927 -0.002687 -0.003508 0.003358 0.000034 0.000074 9C 2dz2 0.021791 0.014974 0.019396 -0.018051 0.002736 0.006402 9C 2dxz 0.017510 0.013514 0.015189 -0.016053 0.006325 -0.001165 9C 2dyz -0.013368 -0.007858 -0.011185 0.010698 0.001767 0.000355 9C 2dx2y2 0.018620 0.011198 0.015690 -0.015209 -0.000687 -0.006750 9C 2dxy -0.009824 -0.006120 -0.007189 0.010255 0.001063 -0.004464 9C 1f0 -0.004007 -0.002384 -0.003165 0.003466 0.001024 0.000446 9C 1f+1 -0.000675 -0.000211 -0.000460 0.000446 0.000192 0.000391 9C 1f-1 -0.000285 0.000238 -0.000058 0.000167 0.001758 -0.000239 9C 1f+2 -0.002177 -0.001930 -0.001966 0.001839 -0.003160 -0.000770 9C 1f-2 -0.001154 -0.000488 -0.000794 0.001061 0.002453 0.000517 9C 1f+3 -0.000772 -0.000741 -0.000785 0.000666 -0.002527 -0.000532 9C 1f-3 0.001734 0.001247 0.001452 -0.001582 -0.000255 0.000371 10H 1s 0.005911 0.004013 -0.004868 0.004922 -0.002345 -0.004907 10H 2s 0.008156 0.005920 -0.007480 0.008043 0.027998 -0.042401 10H 3s 0.010159 0.079910 -0.039814 0.019366 -0.340155 0.056197 10H 1pz -0.000310 -0.001289 0.000714 -0.000521 0.005108 -0.002292 10H 1px -0.000076 0.001466 -0.000566 0.000043 -0.008880 0.004053 10H 1py -0.000048 -0.000402 0.000046 -0.000020 0.001876 -0.000665 11H 1s -0.035113 -0.022918 0.028329 -0.029227 -0.000475 0.003026 11H 2s -0.052331 -0.029139 0.043384 -0.037098 0.015920 0.011222 11H 3s -0.235909 -0.113084 0.176754 -0.226390 -0.383935 0.034397 11H 1pz 0.004629 0.002308 -0.003274 0.004512 0.004581 -0.000413 11H 1px 0.003320 0.001513 -0.002444 0.003362 0.005659 0.000442 11H 1py 0.000428 0.000343 -0.000489 -0.000085 -0.005673 0.000198 12H 1s 0.029125 0.018635 -0.023519 0.023734 -0.004712 0.003320 12H 2s 0.043033 0.029742 -0.037356 0.034703 0.012187 0.010799 12H 3s 0.161788 0.156533 -0.169320 0.140991 -0.380840 0.048892 12H 1pz -0.001115 -0.000690 0.000673 -0.001256 -0.003024 0.000025 12H 1px -0.001614 -0.001721 0.001789 -0.001678 0.003528 0.000452 12H 1py -0.002778 -0.002965 0.002766 -0.002675 0.008595 -0.000539 13H 1s -0.006592 0.009893 0.007959 0.008331 -0.002645 -0.005606 13H 2s -0.011578 0.014361 0.013507 0.013181 0.021087 -0.030132 13H 3s -0.091576 0.043374 0.068994 0.046931 -0.329605 -0.071015 13H 1pz 0.001304 -0.000426 -0.000687 -0.000447 0.006584 -0.000896 13H 1px -0.001235 0.000327 0.000869 0.000415 -0.006693 0.000881 13H 1py -0.001114 0.000606 0.000782 0.000797 -0.002808 0.000710 14H 1s -0.016802 0.025940 0.020742 0.021936 -0.003786 0.003268 14H 2s -0.026036 0.039751 0.032675 0.034201 0.024032 0.026808 14H 3s -0.155911 0.140535 0.160689 0.128324 -0.383897 -0.057220 14H 1pz 0.001625 -0.001313 -0.001375 -0.001213 0.005522 0.000858 14H 1px 0.003025 -0.002296 -0.002869 -0.002281 0.009138 0.002952 14H 1py -0.000656 0.001078 0.000643 0.001269 0.002559 0.000862 15H 1s 0.023837 -0.036232 -0.028828 -0.031155 -0.001350 0.001288 15H 2s 0.030233 -0.052611 -0.043771 -0.037973 0.017005 0.011710 15H 3s 0.122229 -0.238729 -0.173443 -0.240612 -0.395610 -0.048510 15H 1pz 0.000186 -0.000664 -0.000241 -0.001312 -0.007449 -0.001544 15H 1px -0.001093 0.002211 0.001652 0.002120 0.001119 0.000800 15H 1py 0.002684 -0.005446 -0.003681 -0.005586 -0.006041 -0.000828 16H 1s 0.001255 -0.001292 0.000488 -0.000808 -0.021115 0.029738 16H 2s 0.003074 -0.003529 0.007096 -0.002860 -0.051517 0.068315 16H 3s -0.018406 0.024530 0.006230 -0.003282 -0.188321 0.346746 16H 1pz 0.000918 -0.000928 0.000308 0.000591 0.013604 -0.019624 16H 1px 0.000690 -0.000067 -0.000152 0.000150 0.000873 -0.000717 16H 1py -0.000011 -0.000723 0.000334 0.000047 0.004836 -0.007171 17H 1s -0.001566 -0.000682 0.000978 -0.000725 -0.020834 0.029602 17H 2s -0.002260 -0.000657 0.009748 -0.002327 -0.050423 0.063626 17H 3s 0.031819 0.002474 0.026126 -0.000187 -0.186662 0.356231 17H 1pz 0.001295 -0.000170 0.000142 -0.000224 -0.010150 0.014439 17H 1px 0.000180 0.000206 -0.000328 -0.000215 -0.007897 0.012181 17H 1py -0.000535 -0.000196 0.000142 0.000217 0.007064 -0.010811 18H 1s 0.001516 0.000639 0.001038 -0.000727 -0.020621 -0.029615 18H 2s 0.001590 0.000617 0.010015 -0.002287 -0.050304 -0.064317 18H 3s -0.032922 -0.001519 0.027532 0.000204 -0.183400 -0.354654 18H 1pz 0.001308 -0.000175 -0.000134 0.000228 0.010212 0.014687 18H 1px 0.000146 0.000220 0.000353 0.000216 0.007802 0.012149 18H 1py -0.000506 -0.000163 -0.000137 -0.000191 -0.006674 -0.010338 19H 1s -0.001275 0.001295 0.000420 -0.000810 -0.020930 -0.029814 19H 2s -0.003703 0.003372 0.006569 -0.002734 -0.051302 -0.068813 19H 3s 0.017381 -0.025112 0.004350 -0.003410 -0.186372 -0.347577 19H 1pz 0.000929 -0.000919 -0.000277 -0.000601 -0.013364 -0.019505 19H 1px 0.000651 -0.000081 0.000131 -0.000140 -0.000775 -0.000577 19H 1py 0.000014 -0.000771 -0.000348 -0.000054 -0.005099 -0.007637 20H 1s -0.023524 0.036070 -0.029042 -0.031151 -0.001346 -0.001341 20H 2s -0.029690 0.052512 -0.044147 -0.037930 0.017083 -0.011748 20H 3s -0.121245 0.237008 -0.174192 -0.240855 -0.394365 0.044599 20H 1pz 0.000198 -0.000649 0.000234 0.001323 0.007441 -0.001481 20H 1px -0.001094 0.002231 -0.001682 -0.002160 -0.001186 0.000808 20H 1py 0.002652 -0.005383 0.003673 0.005575 0.006023 -0.000772 21H 1s 0.016722 -0.026089 0.021092 0.022150 -0.003763 -0.003283 21H 2s 0.025990 -0.039964 0.033320 0.034476 0.023985 -0.026364 21H 3s 0.154119 -0.141968 0.163469 0.129350 -0.383311 0.053244 21H 1pz 0.001623 -0.001343 0.001419 0.001240 -0.005564 0.000807 21H 1px 0.002979 -0.002320 0.002912 0.002298 -0.009082 0.002844 21H 1py -0.000660 0.001084 -0.000660 -0.001281 -0.002581 0.000842 22H 1s 0.006335 -0.009599 0.007809 0.008111 -0.002653 0.005602 22H 2s 0.011204 -0.013886 0.013299 0.012811 0.020744 0.030299 22H 3s 0.089159 -0.041761 0.068507 0.045201 -0.328832 0.069291 22H 1pz 0.001263 -0.000405 0.000677 0.000422 -0.006496 -0.000941 22H 1px -0.001210 0.000319 -0.000871 -0.000400 0.006691 0.000926 22H 1py -0.001093 0.000589 -0.000785 -0.000777 0.002836 0.000739 23H 1s -0.029022 -0.018703 -0.024240 0.024223 -0.004642 -0.003291 23H 2s -0.042803 -0.029730 -0.038313 0.035402 0.012295 -0.010186 23H 3s -0.160694 -0.157399 -0.173764 0.144043 -0.380865 -0.052521 23H 1pz -0.001122 -0.000686 -0.000705 0.001285 0.003070 0.000068 23H 1px -0.001580 -0.001698 -0.001808 0.001692 -0.003396 0.000417 23H 1py -0.002785 -0.003010 -0.002875 0.002760 -0.008610 -0.000653 24H 1s 0.034396 0.022607 0.028701 -0.029320 -0.000566 -0.003122 24H 2s 0.051388 0.028771 0.043976 -0.037430 0.015690 -0.011310 24H 3s 0.232264 0.110126 0.180059 -0.226663 -0.383102 -0.039375 24H 1pz 0.004506 0.002241 0.003295 -0.004472 -0.004554 -0.000467 24H 1px 0.003302 0.001492 0.002520 -0.003398 -0.005738 0.000373 24H 1py 0.000452 0.000370 0.000513 0.000033 0.005572 0.000261 25H 1s -0.005331 -0.003662 -0.004548 0.004557 -0.002301 0.004880 25H 2s -0.007203 -0.005357 -0.006863 0.007478 0.027831 0.042710 25H 3s -0.006286 -0.077921 -0.037349 0.017128 -0.338658 -0.059571 25H 1pz -0.000251 -0.001264 -0.000689 0.000484 -0.005145 -0.002371 25H 1px -0.000129 0.001440 0.000528 -0.000010 0.008821 0.004144 25H 1py -0.000025 -0.000378 -0.000027 0.000004 -0.001765 -0.000650 26O 1s -0.001622 0.002508 -0.000034 -0.000604 -0.010446 0.007754 26O 2s -0.004019 0.006234 -0.000118 -0.001503 -0.025792 0.019197 26O 3s 0.008081 -0.012808 0.000657 0.002869 0.048217 -0.036299 26O 4s 0.001611 -0.000370 -0.002154 0.002252 0.048821 -0.029099 26O 5s 0.042240 -0.088250 0.012970 0.012824 0.057607 -0.128197 26O 1pz 0.075418 0.032889 -0.060229 0.061882 0.002090 0.003579 26O 1px 0.042976 0.022726 -0.036181 0.037125 0.003196 -0.028595 26O 1py -0.106124 -0.079424 0.098294 -0.100426 0.013784 -0.004828 26O 2pz 0.063358 0.026698 -0.049038 0.052700 0.010129 0.005031 26O 2px 0.037067 0.018834 -0.030642 0.030574 0.000285 -0.016324 26O 2py -0.089683 -0.068105 0.081337 -0.086289 0.016303 -0.000140 26O 3pz 0.097770 0.032044 -0.079781 0.068321 -0.040922 -0.037964 26O 3px 0.057537 0.031792 -0.049154 0.046083 0.067757 -0.006442 26O 3py -0.116335 -0.094897 0.122462 -0.113600 0.013616 -0.021825 26O 1dz2 0.000687 0.000505 -0.000397 0.000535 0.000149 -0.000243 26O 1dxz 0.001297 0.001069 -0.001042 0.000977 -0.000124 -0.000272 26O 1dyz -0.000116 0.000365 -0.000175 0.000095 0.000184 0.000252 26O 1dx2y2 0.001882 0.001264 -0.001352 0.001337 -0.000105 0.000571 26O 1dxy -0.001655 -0.000775 0.001229 -0.001121 0.000141 0.000397 26O 2dz2 0.005744 0.002100 -0.002809 0.003190 0.002868 -0.001932 26O 2dxz 0.005593 0.004148 -0.003916 0.004483 0.000363 0.002553 26O 2dyz 0.000445 -0.002674 0.000134 -0.000121 0.001859 -0.000635 26O 2dx2y2 0.007895 0.004906 -0.005302 0.005967 -0.003985 0.000297 26O 2dxy -0.004937 -0.003774 0.004176 -0.003922 -0.001519 0.002431 26O 1f0 0.000618 0.000515 -0.000221 0.000523 0.000017 0.000007 26O 1f+1 -0.000035 -0.000011 0.000076 -0.000043 -0.000210 0.000114 26O 1f-1 -0.000094 -0.000365 0.000156 -0.000180 0.000037 0.000024 26O 1f+2 -0.000272 -0.000138 0.000338 -0.000224 0.000054 -0.000037 26O 1f-2 0.000028 -0.000268 0.000159 -0.000100 -0.000099 -0.000003 26O 1f+3 0.001053 0.000532 -0.000670 0.000799 -0.000155 -0.000023 26O 1f-3 -0.000470 -0.000120 0.000208 -0.000252 -0.000086 0.000112 27O 1s -0.002430 -0.001620 0.000178 -0.000591 -0.009763 0.005759 27O 2s -0.006045 -0.004002 0.000426 -0.001429 -0.024096 0.014273 27O 3s 0.012503 0.007778 -0.000690 0.002163 0.045007 -0.026859 27O 4s 0.000243 0.002954 -0.001350 0.005470 0.047429 -0.021906 27O 5s 0.078763 0.046952 0.002729 0.000080 0.025711 -0.106704 27O 1pz 0.077780 -0.104788 -0.096067 -0.101549 0.010807 0.005608 27O 1px 0.020471 -0.019734 -0.020349 -0.021559 0.004417 -0.026929 27O 1py 0.038616 -0.083729 -0.065969 -0.072338 -0.006882 0.003857 27O 2pz 0.066471 -0.088682 -0.079660 -0.086641 0.014742 0.005748 27O 2px 0.017987 -0.017211 -0.018013 -0.019544 0.003494 -0.010483 27O 2py 0.032278 -0.070076 -0.053877 -0.061209 -0.012136 -0.000987 27O 3pz 0.095396 -0.118541 -0.119389 -0.116901 -0.019551 -0.029715 27O 3px 0.024472 -0.016938 -0.020870 -0.017161 0.079923 -0.014831 27O 3py 0.034538 -0.109373 -0.087360 -0.084354 0.013453 0.042666 27O 1dz2 0.000378 -0.000180 -0.000065 -0.000192 -0.000161 -0.000368 27O 1dxz 0.001368 -0.002355 -0.001693 -0.001728 -0.000014 -0.000160 27O 1dyz -0.000299 0.000944 0.000525 0.000580 -0.000239 -0.000353 27O 1dx2y2 0.000593 -0.000936 -0.000612 -0.000665 0.000093 0.000364 27O 1dxy 0.001158 -0.001210 -0.001077 -0.001017 -0.000051 -0.000248 27O 2dz2 0.001450 -0.003740 -0.001504 -0.001958 0.002104 -0.000432 27O 2dxz 0.005485 -0.008596 -0.006056 -0.006564 0.002257 0.001776 27O 2dyz -0.004291 0.001902 0.001857 0.002126 -0.001921 0.001477 27O 2dx2y2 0.002796 -0.005701 -0.003097 -0.004012 -0.004609 0.000672 27O 2dxy 0.002402 -0.004447 -0.003306 -0.003536 0.000799 -0.002434 27O 1f0 0.000198 -0.000757 -0.000357 -0.000498 0.000062 0.000044 27O 1f+1 0.000046 -0.000273 -0.000100 -0.000146 -0.000045 0.000011 27O 1f-1 -0.000147 0.000241 -0.000111 0.000152 -0.000077 -0.000014 27O 1f+2 -0.000570 0.000632 0.000502 0.000567 -0.000194 -0.000007 27O 1f-2 0.000026 -0.000306 -0.000229 -0.000189 0.000163 0.000020 27O 1f+3 0.000350 -0.000300 -0.000242 -0.000319 -0.000166 -0.000041 27O 1f-3 0.000458 -0.000409 -0.000220 -0.000379 0.000024 -0.000043 28O 1s -0.001687 0.002462 -0.000026 -0.000585 -0.009719 -0.005920 28O 2s -0.004171 0.006085 -0.000069 -0.001436 -0.023951 -0.014623 28O 3s 0.008161 -0.011981 0.000214 0.002531 0.044236 0.026581 28O 4s 0.003105 -0.003494 -0.000498 0.004121 0.051838 0.027325 28O 5s 0.046205 -0.068730 0.002626 -0.002672 -0.009231 0.118791 28O 1pz 0.071613 0.029691 -0.056631 0.058737 0.006340 0.012053 28O 1px 0.041769 0.025238 -0.036124 0.037619 0.000103 -0.026572 28O 1py -0.100301 -0.075290 0.093998 -0.095022 0.016140 0.003968 28O 2pz 0.060602 0.025265 -0.046974 0.050370 0.009400 -0.002192 28O 2px 0.035128 0.021813 -0.029844 0.032386 0.000657 -0.012038 28O 2py -0.085253 -0.064330 0.078103 -0.081598 0.017185 0.000158 28O 3pz 0.095240 0.023183 -0.072635 0.072023 0.046795 0.041515 28O 3px 0.052798 0.025573 -0.046276 0.037330 -0.078214 0.009017 28O 3py -0.115924 -0.098633 0.120599 -0.110881 0.009277 0.033366 28O 1dz2 0.001768 0.001437 -0.001349 0.001378 0.000100 -0.000120 28O 1dxz -0.000313 -0.000382 0.000387 -0.000334 -0.000172 0.000396 28O 1dyz -0.001648 -0.000618 0.001041 -0.001019 0.000369 -0.000359 28O 1dx2y2 -0.000160 -0.000079 0.000241 -0.000093 0.000170 -0.000391 28O 1dxy 0.001818 0.001174 -0.001400 0.001343 0.000027 -0.000125 28O 2dz2 0.007746 0.004309 -0.004514 0.005040 -0.000100 -0.001304 28O 2dxz 0.000595 -0.000276 0.000335 0.000153 0.005418 0.001241 28O 2dyz -0.004214 -0.005545 0.003617 -0.003654 0.001676 0.000148 28O 2dx2y2 0.001338 0.000376 0.000148 -0.000033 -0.003487 0.000857 28O 2dxy 0.006508 0.002580 -0.004583 0.004609 0.000470 0.001940 28O 1f0 0.000025 -0.000063 0.000187 -0.000057 -0.000138 0.000053 28O 1f+1 0.000555 0.000559 -0.000311 0.000480 -0.000115 -0.000033 28O 1f-1 0.000455 -0.000127 -0.000136 0.000206 -0.000040 0.000041 28O 1f+2 0.000133 0.000177 0.000078 0.000120 0.000174 -0.000056 28O 1f-2 -0.000632 -0.000413 0.000478 -0.000490 0.000213 0.000016 28O 1f+3 -0.000027 -0.000035 -0.000059 -0.000020 0.000132 -0.000025 28O 1f-3 -0.000681 -0.000322 0.000346 -0.000479 -0.000025 -0.000002 29O 1s 0.000068 -0.000073 0.000540 -0.000760 -0.017088 0.023273 29O 2s 0.000184 -0.000116 0.001383 -0.001900 -0.042771 0.057816 29O 3s -0.000552 -0.000770 -0.003045 0.003849 0.087715 -0.113082 29O 4s 0.000520 0.004489 0.001110 0.002121 0.046860 -0.093554 29O 5s -0.004535 -0.010784 -0.027726 0.015010 0.363783 -0.426375 29O 1pz -0.007366 0.003564 -0.000510 -0.000439 -0.013169 0.021422 29O 1px -0.003056 0.001048 -0.001991 -0.000215 0.023902 -0.043344 29O 1py 0.003840 0.008839 0.001613 -0.001716 -0.045584 0.066854 29O 2pz -0.002883 0.000814 0.000448 -0.000545 -0.012461 0.015968 29O 2px -0.000686 0.001663 -0.001236 0.000731 0.023798 -0.030544 29O 2py 0.002539 0.005871 0.001103 -0.001778 -0.037345 0.049896 29O 3pz -0.019512 0.010062 -0.002949 -0.000175 -0.014783 0.048821 29O 3px -0.011630 -0.001620 -0.010130 -0.003890 0.025050 -0.107420 29O 3py 0.007284 0.014933 0.011292 -0.001319 -0.059476 0.098957 29O 1dz2 0.000207 -0.000077 0.000033 -0.000026 -0.000877 0.001084 29O 1dxz -0.000237 0.000085 0.000074 -0.000014 -0.000712 0.000807 29O 1dyz 0.000015 -0.000116 -0.000015 0.000002 0.000108 -0.000182 29O 1dx2y2 -0.000109 0.000043 -0.000078 -0.000014 0.000267 -0.000083 29O 1dxy 0.000109 0.000269 -0.000077 -0.000005 0.000097 0.000066 29O 2dz2 0.000313 0.000222 0.000199 -0.000099 -0.003814 0.006433 29O 2dxz -0.000409 0.000200 -0.000091 -0.000068 -0.002725 0.004716 29O 2dyz 0.000209 -0.000191 -0.000272 -0.000010 0.000463 -0.000911 29O 2dx2y2 0.000000 0.000213 0.000704 0.000050 -0.000249 0.000260 29O 2dxy 0.000432 0.000496 0.000547 0.000069 0.001022 -0.002299 29O 1f0 -0.000060 -0.000006 0.000099 -0.000013 0.000084 -0.000163 29O 1f+1 -0.000073 0.000067 -0.000076 -0.000012 -0.000060 0.000070 29O 1f-1 0.000031 0.000063 0.000081 -0.000006 -0.000003 -0.000164 29O 1f+2 -0.000003 -0.000001 -0.000048 -0.000003 -0.000023 -0.000024 29O 1f-2 0.000031 0.000022 0.000081 -0.000017 0.000028 -0.000206 29O 1f+3 -0.000051 -0.000100 -0.000003 0.000007 0.000017 -0.000110 29O 1f-3 -0.000007 -0.000035 -0.000018 0.000005 0.000093 -0.000158 30O 1s -0.002582 -0.001601 0.000212 -0.000596 -0.010190 -0.007734 30O 2s -0.006403 -0.003945 0.000545 -0.001473 -0.025130 -0.019076 30O 3s 0.012964 0.007477 -0.001334 0.002631 0.046653 0.034756 30O 4s 0.001759 0.003316 0.000630 0.003337 0.051819 0.036768 30O 5s 0.077089 0.056026 -0.010308 0.013784 0.016502 0.116417 30O 1pz 0.075451 -0.101190 -0.092894 -0.098826 0.011500 0.012158 30O 1px 0.014905 -0.016417 -0.016102 -0.017550 0.001127 -0.024941 30O 1py 0.034991 -0.079908 -0.062932 -0.068576 -0.007212 -0.007621 30O 2pz 0.065140 -0.086771 -0.077134 -0.085922 0.012896 0.003679 30O 2px 0.012448 -0.013987 -0.013923 -0.014218 0.003662 -0.014541 30O 2py 0.028901 -0.066600 -0.051876 -0.057608 -0.010895 0.002513 30O 3pz 0.094293 -0.119027 -0.118391 -0.112685 0.036520 0.026284 30O 3px 0.025522 -0.012057 -0.022362 -0.023243 -0.072555 0.017591 30O 3py 0.032793 -0.102713 -0.083381 -0.081004 -0.024839 -0.043659 30O 1dz2 0.001587 -0.002251 -0.001625 -0.001737 -0.000015 0.000418 30O 1dxz -0.000706 0.001167 0.000939 0.000866 -0.000110 0.000353 30O 1dyz -0.000052 0.000915 0.000415 0.000483 -0.000350 0.000388 30O 1dx2y2 0.000601 -0.000612 -0.000416 -0.000506 -0.000091 -0.000389 30O 1dxy -0.000771 0.001136 0.000939 0.000849 -0.000143 -0.000166 30O 2dz2 0.004948 -0.009876 -0.005866 -0.006636 0.000951 -0.001322 30O 2dxz -0.001187 0.002392 0.002656 0.002504 0.003504 0.001432 30O 2dyz -0.003516 0.001244 0.001372 0.001467 0.000559 0.000828 30O 2dx2y2 0.002344 -0.003588 -0.001941 -0.002408 -0.002259 0.001281 30O 2dxy -0.003590 0.002918 0.002626 0.002847 -0.004547 -0.002738 30O 1f0 -0.000305 0.000052 0.000101 0.000159 -0.000108 -0.000026 30O 1f+1 0.000533 -0.001013 -0.000533 -0.000767 -0.000028 -0.000056 30O 1f-1 -0.000004 -0.000236 -0.000341 -0.000171 0.000040 -0.000026 30O 1f+2 -0.000440 0.000104 0.000243 0.000238 0.000085 0.000002 30O 1f-2 -0.000160 0.000251 0.000050 0.000189 0.000083 0.000048 30O 1f+3 -0.000386 0.000555 0.000298 0.000461 -0.000004 -0.000008 30O 1f-3 0.000187 -0.000362 -0.000128 -0.000229 0.000280 0.000069 31O 1s 0.002553 0.001576 0.000252 -0.000610 -0.010234 0.007677 31O 2s 0.006332 0.003884 0.000644 -0.001509 -0.025238 0.018933 31O 3s -0.012826 -0.007368 -0.001528 0.002711 0.046835 -0.034472 31O 4s -0.001696 -0.003195 0.000587 0.003310 0.052077 -0.036541 31O 5s -0.076143 -0.055363 -0.011639 0.014338 0.017824 -0.116560 31O 1pz 0.074417 -0.100936 0.093725 0.098891 -0.011577 0.012095 31O 1px 0.014751 -0.016481 0.016354 0.017629 -0.000896 -0.025024 31O 1py 0.034517 -0.079555 0.063221 0.068715 0.007298 -0.007570 31O 2pz 0.064299 -0.086535 0.077822 0.086003 -0.012824 0.003524 31O 2px 0.012284 -0.014056 0.014118 0.014282 -0.003538 -0.014611 31O 2py 0.028511 -0.066327 0.052119 0.057745 0.010870 0.002645 31O 3pz 0.093030 -0.118724 0.119588 0.112646 -0.036779 0.026106 31O 3px 0.025171 -0.012171 0.022894 0.023251 0.072073 0.018409 31O 3py 0.031998 -0.102370 0.083618 0.081238 0.025013 -0.043753 31O 1dz2 -0.001572 0.002246 -0.001643 -0.001741 -0.000011 -0.000421 31O 1dxz 0.000698 -0.001164 0.000947 0.000869 -0.000104 -0.000360 31O 1dyz 0.000054 -0.000912 0.000414 0.000487 -0.000346 -0.000393 31O 1dx2y2 -0.000595 0.000611 -0.000422 -0.000506 -0.000096 0.000392 31O 1dxy 0.000760 -0.001136 0.000949 0.000852 -0.000148 0.000165 31O 2dz2 -0.004881 0.009842 -0.005904 -0.006645 0.000924 0.001338 31O 2dxz 0.001153 -0.002389 0.002671 0.002511 0.003505 -0.001411 31O 2dyz 0.003508 -0.001248 0.001429 0.001465 0.000548 -0.000822 31O 2dx2y2 -0.002309 0.003583 -0.001972 -0.002409 -0.002255 -0.001286 31O 2dxy 0.003580 -0.002920 0.002676 0.002858 -0.004532 0.002706 31O 1f0 -0.000306 0.000052 -0.000105 -0.000158 0.000108 -0.000025 31O 1f+1 0.000529 -0.001010 0.000539 0.000770 0.000029 -0.000056 31O 1f-1 -0.000007 -0.000235 0.000340 0.000171 -0.000039 -0.000026 31O 1f+2 -0.000437 0.000103 -0.000249 -0.000236 -0.000084 0.000001 31O 1f-2 -0.000160 0.000249 -0.000052 -0.000189 -0.000081 0.000047 31O 1f+3 -0.000382 0.000554 -0.000302 -0.000462 0.000002 -0.000006 31O 1f-3 0.000187 -0.000362 0.000129 0.000230 -0.000278 0.000066 32O 1s -0.000112 0.000056 0.000532 -0.000760 -0.016931 -0.023325 32O 2s -0.000298 0.000074 0.001363 -0.001900 -0.042381 -0.057947 32O 3s 0.000798 0.000845 -0.003000 0.003844 0.086961 0.113343 32O 4s -0.000596 -0.004404 0.001087 0.002159 0.046142 0.093665 32O 5s 0.006736 0.011019 -0.027282 0.014803 0.361331 0.427797 32O 1pz -0.007391 0.003578 0.000734 0.000421 0.012007 0.019929 32O 1px -0.003080 0.001071 0.002045 0.000239 -0.024005 -0.043891 32O 1py 0.004014 0.008874 -0.001517 0.001652 0.045254 0.067130 32O 2pz -0.002883 0.000800 -0.000319 0.000489 0.011521 0.014852 32O 2px -0.000729 0.001631 0.001264 -0.000730 -0.023966 -0.031079 32O 2py 0.002791 0.005889 -0.001048 0.001723 0.037172 0.050267 32O 3pz -0.019470 0.010345 0.004293 0.000212 0.013145 0.046508 32O 3px -0.011941 -0.001343 0.010463 0.004005 -0.024793 -0.108197 32O 3py 0.007789 0.015007 -0.010948 0.001152 0.058964 0.099271 32O 1dz2 -0.000209 0.000075 0.000027 -0.000025 -0.000885 -0.001108 32O 1dxz 0.000233 -0.000086 0.000082 -0.000013 -0.000700 -0.000801 32O 1dyz -0.000017 0.000113 -0.000022 0.000001 0.000077 0.000140 32O 1dx2y2 0.000110 -0.000044 -0.000073 -0.000015 0.000266 0.000087 32O 1dxy -0.000104 -0.000271 -0.000081 -0.000004 0.000087 -0.000081 32O 2dz2 -0.000278 -0.000216 0.000218 -0.000102 -0.003792 -0.006487 32O 2dxz 0.000444 -0.000200 -0.000106 -0.000068 -0.002682 -0.004688 32O 2dyz -0.000195 0.000197 -0.000227 -0.000023 0.000266 0.000580 32O 2dx2y2 -0.000024 -0.000209 0.000689 0.000056 -0.000253 -0.000288 32O 2dxy -0.000471 -0.000489 0.000553 0.000075 0.000904 0.002118 32O 1f0 -0.000058 -0.000005 -0.000090 0.000013 -0.000077 -0.000144 32O 1f+1 -0.000075 0.000069 0.000084 0.000011 0.000063 0.000081 32O 1f-1 0.000035 0.000064 -0.000081 0.000005 0.000002 -0.000170 32O 1f+2 -0.000008 -0.000004 0.000050 0.000002 0.000018 -0.000021 32O 1f-2 0.000035 0.000025 -0.000079 0.000017 -0.000023 -0.000195 32O 1f+3 -0.000056 -0.000098 0.000002 -0.000004 -0.000019 -0.000118 32O 1f-3 -0.000008 -0.000037 0.000017 -0.000005 -0.000094 -0.000164 33O 1s 0.001684 -0.002469 -0.000008 -0.000578 -0.009735 0.005825 33O 2s 0.004165 -0.006103 -0.000024 -0.001420 -0.023992 0.014388 33O 3s -0.008171 0.012012 0.000128 0.002517 0.044298 -0.026132 33O 4s -0.002974 0.003574 -0.000533 0.003996 0.051984 -0.026934 33O 5s -0.046813 0.068138 0.001730 -0.002511 -0.009009 -0.118044 33O 1pz 0.070866 0.029530 0.057890 -0.059373 -0.006578 0.012071 33O 1px 0.040999 0.024926 0.036646 -0.037804 -0.000103 -0.026513 33O 1py -0.098355 -0.074555 -0.095375 0.095668 -0.015930 0.003867 33O 2pz 0.059988 0.025154 0.048034 -0.050981 -0.009503 -0.002259 33O 2px 0.034524 0.021564 0.030316 -0.032543 -0.000744 -0.011922 33O 2py -0.083616 -0.063701 -0.079283 0.082118 -0.016971 -0.000006 33O 3pz 0.094135 0.022606 0.074016 -0.072470 -0.047166 0.041578 33O 3px 0.051995 0.025566 0.047182 -0.037659 0.078026 0.009431 33O 3py -0.113482 -0.097806 -0.122189 0.111780 -0.009328 0.033544 33O 1dz2 -0.001746 -0.001430 -0.001381 0.001396 0.000101 0.000120 33O 1dxz 0.000310 0.000380 0.000395 -0.000340 -0.000174 -0.000397 33O 1dyz 0.001625 0.000611 0.001062 -0.001024 0.000365 0.000364 33O 1dx2y2 0.000157 0.000080 0.000245 -0.000096 0.000169 0.000390 33O 1dxy -0.001791 -0.001165 -0.001426 0.001354 0.000030 0.000124 33O 2dz2 -0.007664 -0.004284 -0.004638 0.005102 -0.000086 0.001321 33O 2dxz -0.000557 0.000315 0.000356 0.000129 0.005414 -0.001203 33O 2dyz 0.004132 0.005510 0.003669 -0.003679 0.001653 -0.000130 33O 2dx2y2 -0.001346 -0.000386 0.000124 -0.000028 -0.003478 -0.000893 33O 2dxy -0.006404 -0.002534 -0.004661 0.004636 0.000513 -0.001924 33O 1f0 0.000029 -0.000062 -0.000186 0.000056 0.000136 0.000054 33O 1f+1 0.000551 0.000559 0.000324 -0.000489 0.000113 -0.000031 33O 1f-1 0.000451 -0.000129 0.000142 -0.000207 0.000038 0.000042 33O 1f+2 0.000133 0.000176 -0.000076 -0.000121 -0.000172 -0.000058 33O 1f-2 -0.000621 -0.000408 -0.000484 0.000491 -0.000211 0.000015 33O 1f+3 -0.000029 -0.000035 0.000058 0.000020 -0.000132 -0.000025 33O 1f-3 -0.000673 -0.000319 -0.000356 0.000484 0.000027 -0.000001 34O 1s 0.002400 0.001594 0.000218 -0.000604 -0.009721 -0.005815 34O 2s 0.005972 0.003937 0.000526 -0.001463 -0.023994 -0.014411 34O 3s -0.012366 -0.007661 -0.000892 0.002242 0.044833 0.027127 34O 4s -0.000151 -0.002825 -0.001392 0.005423 0.047191 0.022188 34O 5s -0.077934 -0.046406 0.001837 0.000592 0.025062 0.106093 34O 1pz 0.076835 -0.104647 0.097087 0.101750 -0.010873 0.005437 34O 1px 0.020225 -0.019754 0.020635 0.021582 -0.004244 -0.026913 34O 1py 0.038157 -0.083446 0.066367 0.072535 0.006954 0.003877 34O 2pz 0.065672 -0.088559 0.080508 0.086813 -0.014752 0.005551 34O 2px 0.017796 -0.017202 0.018302 0.019562 -0.003375 -0.010484 34O 2py 0.031910 -0.069845 0.054207 0.061385 0.012221 -0.000909 34O 3pz 0.094254 -0.118323 0.120707 0.116990 0.019539 -0.029463 34O 3px 0.024489 -0.017020 0.021397 0.017102 -0.080100 -0.015711 34O 3py 0.033789 -0.108974 0.087538 0.084615 -0.013604 0.042643 34O 1dz2 -0.000374 0.000179 -0.000068 -0.000191 -0.000163 0.000365 34O 1dxz -0.001352 0.002348 -0.001705 -0.001732 -0.000017 0.000158 34O 1dyz 0.000297 -0.000944 0.000527 0.000585 -0.000240 0.000351 34O 1dx2y2 -0.000589 0.000935 -0.000621 -0.000668 0.000098 -0.000358 34O 1dxy -0.001143 0.001208 -0.001088 -0.001016 -0.000051 0.000246 34O 2dz2 -0.001445 0.003735 -0.001528 -0.001965 0.002107 0.000443 34O 2dxz -0.005434 0.008580 -0.006115 -0.006581 0.002258 -0.001773 34O 2dyz 0.004293 -0.001923 0.001934 0.002142 -0.001905 -0.001487 34O 2dx2y2 -0.002760 0.005699 -0.003112 -0.004038 -0.004616 -0.000701 34O 2dxy -0.002361 0.004443 -0.003345 -0.003546 0.000772 0.002454 34O 1f0 0.000195 -0.000757 0.000360 0.000501 -0.000061 0.000043 34O 1f+1 0.000045 -0.000272 0.000099 0.000148 0.000046 0.000011 34O 1f-1 -0.000150 0.000240 0.000110 -0.000152 0.000077 -0.000013 34O 1f+2 -0.000567 0.000630 -0.000508 -0.000566 0.000193 -0.000007 34O 1f-2 0.000022 -0.000307 0.000229 0.000190 -0.000162 0.000017 34O 1f+3 0.000347 -0.000300 0.000247 0.000320 0.000167 -0.000040 34O 1f-3 0.000455 -0.000409 0.000227 0.000379 -0.000024 -0.000044 35O 1s 0.001618 -0.002519 -0.000025 -0.000597 -0.010397 -0.007834 35O 2s 0.004010 -0.006261 -0.000095 -0.001485 -0.025671 -0.019394 35O 3s -0.008079 0.012852 0.000613 0.002849 0.047972 0.036668 35O 4s -0.001503 0.000467 -0.002141 0.002151 0.048704 0.029427 35O 5s -0.042728 0.087889 0.011862 0.012638 0.057270 0.129491 35O 1pz 0.074635 0.032733 0.061571 -0.062569 -0.002274 0.003460 35O 1px 0.042419 0.022583 0.036907 -0.037529 -0.003156 -0.028574 35O 1py -0.104144 -0.078710 -0.099857 0.101178 -0.013465 -0.004802 35O 2pz 0.062778 0.026567 0.050180 -0.053330 -0.010332 0.004881 35O 2px 0.036601 0.018720 0.031209 -0.030953 -0.000190 -0.016201 35O 2py -0.087995 -0.067506 -0.082677 0.086882 -0.016004 -0.000079 35O 3pz 0.096373 0.031861 0.081253 -0.068939 0.041382 -0.038000 35O 3px 0.056390 0.031133 0.049476 -0.046378 -0.067605 -0.006618 35O 3py -0.114125 -0.094149 -0.124366 0.114542 -0.012912 -0.021997 35O 1dz2 -0.000681 -0.000503 -0.000411 0.000542 0.000150 0.000246 35O 1dxz -0.001279 -0.001065 -0.001066 0.000991 -0.000127 0.000273 35O 1dyz 0.000116 -0.000365 -0.000177 0.000099 0.000185 -0.000251 35O 1dx2y2 -0.001854 -0.001252 -0.001376 0.001347 -0.000101 -0.000574 35O 1dxy 0.001630 0.000766 0.001251 -0.001129 0.000137 -0.000396 35O 2dz2 -0.005682 -0.002076 -0.002873 0.003234 0.002834 0.001934 35O 2dxz -0.005552 -0.004137 -0.004031 0.004550 0.000408 -0.002555 35O 2dyz -0.000450 0.002682 0.000126 -0.000124 0.001852 0.000656 35O 2dx2y2 -0.007818 -0.004897 -0.005458 0.006032 -0.003936 -0.000300 35O 2dxy 0.004828 0.003728 0.004204 -0.003945 -0.001491 -0.002397 35O 1f0 0.000615 0.000514 0.000233 -0.000531 -0.000020 0.000006 35O 1f+1 -0.000034 -0.000011 -0.000076 0.000044 0.000206 0.000113 35O 1f-1 -0.000090 -0.000364 -0.000155 0.000180 -0.000037 0.000022 35O 1f+2 -0.000268 -0.000136 -0.000344 0.000228 -0.000053 -0.000037 35O 1f-2 0.000027 -0.000269 -0.000162 0.000104 0.000101 0.000000 35O 1f+3 0.001040 0.000526 0.000686 -0.000804 0.000150 -0.000024 35O 1f-3 -0.000463 -0.000116 -0.000210 0.000252 0.000084 0.000108 126 127 128 129 130 131 0.04712 0.05448 0.05509 0.07265 0.10405 0.10669 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s -0.000827 0.000020 -0.000268 0.000020 0.000488 0.000873 0Rh 2s 0.003142 0.000250 0.000828 -0.000077 -0.001823 -0.003884 0Rh 3s -0.002855 0.000273 -0.001045 0.000066 0.001707 0.002664 0Rh 4s -0.013696 -0.001245 -0.003501 0.000340 0.007955 0.017233 0Rh 5s 0.011283 0.003632 0.001150 -0.000321 -0.006319 -0.018600 0Rh 6s 0.021138 -0.007889 0.012245 -0.000350 -0.013511 -0.011102 0Rh 7s 0.133727 0.012609 0.034900 0.014186 0.011134 0.082991 0Rh 8s -0.343326 0.288871 -0.431538 -0.038403 -0.002650 -0.958886 0Rh 1pz 0.002492 -0.003557 -0.000584 0.000048 -0.000113 -0.000354 0Rh 1px -0.008704 -0.000998 -0.000362 0.000289 0.002188 -0.002426 0Rh 1py -0.001481 -0.000604 0.003742 0.000138 0.000239 -0.000079 0Rh 2pz -0.008477 0.012192 0.002002 -0.000160 0.000469 0.001119 0Rh 2px 0.029737 0.003382 0.001288 -0.000980 -0.007495 0.008381 0Rh 2py 0.005082 0.002079 -0.012813 -0.000489 -0.000836 0.000300 0Rh 3pz 0.006610 -0.011197 -0.001834 0.000062 -0.001956 0.000778 0Rh 3px -0.025569 -0.002393 -0.002033 0.000712 0.006724 -0.008765 0Rh 3py -0.004789 -0.002040 0.011524 0.000717 0.001045 -0.000803 0Rh 4pz 0.013209 -0.012663 -0.002101 0.000450 0.004859 -0.007884 0Rh 4px -0.037606 -0.006110 0.001739 0.001709 0.008565 -0.004940 0Rh 4py -0.004915 -0.001697 0.014258 -0.000517 -0.000077 0.001627 0Rh 5pz -0.001530 -0.011869 -0.002201 -0.000541 -0.006747 0.011118 0Rh 5px -0.008539 0.001427 -0.007068 -0.000356 0.005326 -0.015792 0Rh 5py -0.004483 -0.003122 0.010396 0.001979 0.002067 -0.003476 0Rh 6pz -0.059613 0.236649 0.046693 0.046922 0.087774 -0.126033 0Rh 6px 0.123822 -0.011106 0.110724 -0.005708 -0.044746 0.346772 0Rh 6py 0.085940 0.059509 -0.205855 0.058385 -0.023217 0.039209 0Rh 1dz2 0.002027 0.000604 0.000597 0.005794 0.000130 0.000513 0Rh 1dxz 0.002741 -0.002716 0.000492 -0.000221 -0.002929 -0.000380 0Rh 1dyz 0.000780 -0.001485 0.000379 0.012512 -0.000092 -0.000988 0Rh 1dx2y2 -0.003686 -0.000414 -0.001326 0.002412 0.001945 0.000492 0Rh 1dxy -0.000838 -0.000505 0.003216 0.005319 0.001106 -0.001203 0Rh 2dz2 -0.000063 -0.000318 0.000029 -0.000307 0.000117 -0.000093 0Rh 2dxz -0.000067 0.000485 -0.000063 0.000098 -0.000090 0.000073 0Rh 2dyz -0.000076 0.000065 0.000310 -0.000733 -0.000007 0.000040 0Rh 2dx2y2 0.000123 0.000163 0.000311 -0.000083 -0.000215 0.000092 0Rh 2dxy 0.000154 0.000081 -0.000518 -0.000238 -0.000098 0.000183 0Rh 3dz2 -0.003161 0.000236 -0.001129 -0.008595 -0.000708 -0.000543 0Rh 3dxz -0.004356 0.002699 -0.000577 -0.000024 0.005394 0.000361 0Rh 3dyz -0.001009 0.002261 -0.001887 -0.018249 0.000211 0.001505 0Rh 3dx2y2 0.005709 0.000053 0.001006 -0.003762 -0.002446 -0.001196 0Rh 3dxy 0.000787 0.000539 -0.003428 -0.008063 -0.001492 0.001334 0Rh 4dz2 -0.003684 -0.004783 -0.000375 -0.012513 0.001250 -0.001573 0Rh 4dxz -0.004806 0.009770 -0.001504 0.001483 0.002943 0.001450 0Rh 4dyz -0.002030 0.002834 0.003538 -0.027925 -0.000441 0.002422 0Rh 4dx2y2 0.006808 0.002647 0.005722 -0.004692 -0.005548 0.000274 0Rh 4dxy 0.002991 0.001669 -0.010777 -0.010989 -0.002897 0.004065 0Rh 5dz2 -0.002337 0.017672 -0.007669 0.001080 -0.006561 -0.000924 0Rh 5dxz -0.002668 -0.016389 0.001384 -0.004074 0.017136 -0.001940 0Rh 5dyz 0.001027 0.005708 -0.027136 0.007542 0.007182 -0.005896 0Rh 5dx2y2 0.002849 -0.008995 -0.012259 -0.000710 0.005823 -0.005350 0Rh 5dxy -0.005049 -0.001663 0.013958 -0.000975 0.002636 -0.007513 0Rh 1f0 -0.000391 -0.000301 0.000308 0.000124 -0.000311 -0.000231 0Rh 1f+1 0.000360 -0.001013 -0.000097 -0.000223 0.000057 -0.000277 0Rh 1f-1 0.000106 -0.000560 0.000506 0.000178 -0.000080 0.000111 0Rh 1f+2 0.000589 0.001183 -0.000053 0.000051 -0.000548 0.001244 0Rh 1f-2 0.000046 0.000143 0.000896 -0.000129 0.000261 0.000141 0Rh 1f+3 0.000435 -0.000443 -0.000929 0.000019 -0.000267 -0.000155 0Rh 1f-3 0.000108 -0.000186 0.001004 0.000112 -0.000335 0.000375 1Rh 1s -0.000819 -0.000017 0.000281 0.000018 0.000473 -0.000872 1Rh 2s 0.003126 -0.000258 -0.000882 -0.000073 -0.001760 0.003880 1Rh 3s -0.002820 -0.000262 0.001088 0.000057 0.001655 -0.002663 1Rh 4s -0.013632 0.001282 0.003735 0.000325 0.007678 -0.017217 1Rh 5s 0.011344 -0.003642 -0.001371 -0.000335 -0.006070 0.018581 1Rh 6s 0.020615 0.007755 -0.012503 -0.000220 -0.013145 0.011094 1Rh 7s 0.134179 -0.013811 -0.038261 0.014437 0.009657 -0.083020 1Rh 8s -0.332697 -0.284805 0.439246 -0.044746 0.005922 0.959112 1Rh 1pz -0.002498 -0.003566 -0.000556 -0.000058 0.000113 -0.000329 1Rh 1px 0.008709 -0.000981 -0.000439 -0.000295 -0.002218 -0.002436 1Rh 1py 0.001502 -0.000603 0.003732 -0.000127 -0.000267 -0.000123 1Rh 2pz 0.008498 0.012223 0.001906 0.000194 -0.000472 0.001035 1Rh 2px -0.029751 0.003324 0.001553 0.001000 0.007598 0.008413 1Rh 2py -0.005154 0.002073 -0.012781 0.000448 0.000929 0.000448 1Rh 3pz -0.006646 -0.011225 -0.001747 -0.000106 0.001990 0.000839 1Rh 3px 0.025547 -0.002358 -0.002284 -0.000718 -0.006815 -0.008790 1Rh 3py 0.004846 -0.002030 0.011501 -0.000662 -0.001092 -0.000904 1Rh 4pz -0.013170 -0.012693 -0.001994 -0.000437 -0.004969 -0.007733 1Rh 4px 0.037748 -0.005985 0.001482 -0.001774 -0.008690 -0.004994 1Rh 4py 0.005021 -0.001705 0.014200 0.000499 -0.000165 0.001337 1Rh 5pz 0.001426 -0.011882 -0.002147 0.000393 0.006944 0.011117 1Rh 5px 0.008297 0.001362 -0.007270 0.000430 -0.005365 -0.015748 1Rh 5py 0.004483 -0.003087 0.010404 -0.001837 -0.001891 -0.003362 1Rh 6pz 0.059704 0.235379 0.046023 -0.044441 -0.089944 -0.126658 1Rh 6px -0.119851 -0.011609 0.111828 0.004634 0.046522 0.346977 1Rh 6py -0.086402 0.058542 -0.203667 -0.060054 0.022728 0.037050 1Rh 1dz2 0.002013 -0.000635 -0.000653 0.005787 -0.000052 -0.000604 1Rh 1dxz 0.002734 0.002705 -0.000530 -0.000231 -0.002984 0.000356 1Rh 1dyz 0.000817 0.001466 -0.000414 0.012535 -0.000165 0.001002 1Rh 1dx2y2 -0.003650 0.000417 0.001399 0.002403 0.001861 -0.000502 1Rh 1dxy -0.000855 0.000493 -0.003210 0.005327 0.001051 0.001124 1Rh 2dz2 -0.000062 0.000315 -0.000022 -0.000307 0.000119 0.000090 1Rh 2dxz -0.000067 -0.000484 0.000066 0.000096 -0.000091 -0.000070 1Rh 2dyz -0.000081 -0.000061 -0.000306 -0.000733 -0.000004 -0.000035 1Rh 2dx2y2 0.000117 -0.000165 -0.000313 -0.000084 -0.000217 -0.000093 1Rh 2dxy 0.000158 -0.000077 0.000516 -0.000235 -0.000097 -0.000181 1Rh 3dz2 -0.003141 -0.000174 0.001198 -0.008583 -0.000400 0.000709 1Rh 3dxz -0.004346 -0.002682 0.000633 -0.000002 0.005493 -0.000335 1Rh 3dyz -0.001052 -0.002244 0.001930 -0.018289 0.000327 -0.001550 1Rh 3dx2y2 0.005672 -0.000053 -0.001122 -0.003744 -0.002295 0.001217 1Rh 3dxy 0.000804 -0.000532 0.003425 -0.008091 -0.001399 -0.001207 1Rh 4dz2 -0.003653 0.004807 0.000536 -0.012494 0.001524 0.001685 1Rh 4dxz -0.004781 -0.009745 0.001590 0.001481 0.003008 -0.001365 1Rh 4dyz -0.002152 -0.002763 -0.003436 -0.027953 -0.000327 -0.002359 1Rh 4dx2y2 0.006678 -0.002668 -0.005850 -0.004685 -0.005442 -0.000265 1Rh 4dxy 0.003052 -0.001608 0.010750 -0.010957 -0.002816 -0.003916 1Rh 5dz2 -0.002280 -0.017518 0.007514 0.000997 -0.005924 0.001164 1Rh 5dxz -0.002720 0.016392 -0.001386 -0.003951 0.017352 0.001775 1Rh 5dyz 0.001260 -0.005873 0.026965 0.007271 0.007664 0.005234 1Rh 5dx2y2 0.003039 0.008973 0.012126 -0.000705 0.006116 0.005311 1Rh 5dxy -0.005134 0.001510 -0.013901 -0.001236 0.002878 0.007585 1Rh 1f0 0.000394 -0.000301 0.000302 -0.000137 0.000266 -0.000285 1Rh 1f+1 -0.000367 -0.001010 -0.000091 0.000220 -0.000031 -0.000249 1Rh 1f-1 -0.000103 -0.000561 0.000510 -0.000173 0.000082 0.000112 1Rh 1f+2 -0.000591 0.001184 -0.000046 -0.000052 0.000575 0.001249 1Rh 1f-2 -0.000049 0.000140 0.000896 0.000129 -0.000281 0.000134 1Rh 1f+3 -0.000448 -0.000449 -0.000928 -0.000025 0.000240 -0.000189 1Rh 1f-3 -0.000099 -0.000186 0.001000 -0.000109 0.000322 0.000372 2C 1s -0.014348 -0.027338 0.013265 0.023403 -0.002577 0.004595 2C 2s -0.032082 -0.061714 0.029777 0.052799 -0.005673 0.010349 2C 3s 0.081657 0.166939 -0.074761 -0.139947 0.011612 -0.029066 2C 4s -0.046686 -0.142084 0.035676 0.101957 -0.002573 0.048240 2C 5s 1.834690 3.956078 -1.854866 -3.132388 0.318754 -0.605851 2C 1pz -0.015739 -0.042982 0.009664 0.050249 0.009426 -0.016536 2C 1px -0.019990 -0.024894 0.008979 0.012620 -0.064059 0.086310 2C 1py -0.009880 -0.017376 0.024133 0.031432 0.012044 -0.000235 2C 2pz 0.017537 0.058749 -0.033949 -0.034760 -0.001959 0.018795 2C 2px 0.015063 0.012726 -0.008143 -0.001651 0.000124 0.010003 2C 2py 0.011516 0.041863 -0.024403 -0.029307 -0.005948 0.017005 2C 3pz 0.096124 0.181451 -0.133421 -0.106424 0.183927 -0.239697 2C 3px -0.172861 -0.076145 0.003203 -0.041717 -0.503657 0.502151 2C 3py 0.090667 0.192830 -0.032678 -0.077325 0.138631 -0.138101 2C 1dz2 0.000869 0.001691 -0.000500 -0.000582 -0.001188 0.000791 2C 1dxz -0.000929 -0.000485 0.000618 0.000088 -0.003204 0.006346 2C 1dyz 0.002122 0.002311 -0.001511 -0.000576 0.001069 -0.000818 2C 1dx2y2 0.000947 0.000292 0.000073 0.000312 0.003360 -0.004340 2C 1dxy 0.000668 0.000409 -0.000126 0.000148 0.000374 0.001695 2C 2dz2 0.012810 0.028682 -0.018595 -0.033615 0.002824 -0.000969 2C 2dxz 0.001959 0.015190 -0.022472 -0.023578 -0.035848 0.032587 2C 2dyz 0.022000 0.051868 -0.023388 -0.054711 0.019686 -0.024242 2C 2dx2y2 -0.000004 -0.013460 -0.000221 0.016318 0.021024 -0.031443 2C 2dxy 0.001870 0.020265 0.002260 -0.016259 -0.000079 0.004502 2C 1f0 -0.000729 -0.003121 0.000261 0.002480 0.001345 -0.002482 2C 1f+1 0.000309 0.001139 0.000579 -0.000760 0.001880 -0.001651 2C 1f-1 -0.000978 -0.000740 0.000292 -0.000968 -0.001567 0.002393 2C 1f+2 0.002507 0.006196 -0.002822 -0.005298 -0.002364 0.002038 2C 1f-2 -0.003406 -0.007057 0.001881 0.005528 -0.001988 0.002604 2C 1f+3 0.003758 0.007935 -0.004971 -0.008015 -0.000208 -0.000844 2C 1f-3 0.001245 0.001865 -0.000281 -0.001274 0.003362 -0.003960 3C 1s -0.015286 -0.013001 -0.027737 -0.022547 0.005395 0.004830 3C 2s -0.034289 -0.029164 -0.062597 -0.050829 0.012208 0.010798 3C 3s 0.089588 0.074124 0.169959 0.134844 -0.030535 -0.027247 3C 4s -0.062399 -0.036568 -0.147190 -0.096661 0.020151 0.025815 3C 5s 2.047225 1.810893 3.998523 2.962332 -0.912535 -0.713072 3C 1pz -0.002086 -0.017876 -0.006374 -0.024325 0.006201 -0.013296 3C 1px -0.013705 -0.016657 -0.019824 -0.020762 -0.041398 0.039331 3C 1py 0.024032 0.010773 0.049345 0.049498 -0.031850 -0.003634 3C 2pz 0.008744 0.026982 0.037636 0.028896 -0.003085 0.010557 3C 2px 0.015233 0.012646 0.026097 0.009942 0.003270 0.014404 3C 2py -0.023236 -0.035327 -0.057603 -0.030679 0.004166 -0.008092 3C 3pz 0.167207 0.035593 0.255926 0.050408 -0.056548 -0.221458 3C 3px -0.037708 -0.009587 0.003667 0.055589 -0.439886 0.126435 3C 3py -0.051499 -0.126667 -0.161886 -0.103792 -0.001414 0.126457 3C 1dz2 -0.000838 0.000090 -0.000816 0.000151 0.000314 -0.000470 3C 1dxz -0.000714 0.000079 -0.000250 0.000449 -0.003050 0.003748 3C 1dyz -0.002312 -0.001646 -0.002460 -0.000382 -0.001876 0.000840 3C 1dx2y2 -0.000619 -0.000254 -0.000805 -0.000576 -0.000833 -0.000785 3C 1dxy -0.000253 -0.000349 -0.000692 -0.000197 -0.001534 -0.002483 3C 2dz2 -0.006646 -0.003960 -0.016142 -0.014311 0.011453 0.001647 3C 2dxz 0.006818 -0.000071 0.017914 0.016564 -0.038764 0.013760 3C 2dyz -0.018311 -0.013472 -0.049921 -0.047107 0.004448 0.014430 3C 2dx2y2 -0.012085 -0.027616 -0.025620 -0.032117 0.001817 0.002014 3C 2dxy -0.014072 -0.022217 -0.028531 -0.033802 0.010936 0.002896 3C 1f0 -0.002124 -0.003866 -0.004212 -0.005226 0.000389 0.000453 3C 1f+1 -0.000847 -0.000941 -0.001648 -0.001592 0.002204 -0.001246 3C 1f-1 -0.002365 -0.001233 -0.005184 -0.004274 0.002344 0.000811 3C 1f+2 0.004776 0.004025 0.009510 0.007348 -0.000460 -0.001444 3C 1f-2 0.003123 0.002467 0.005975 0.004426 -0.001758 -0.000200 3C 1f+3 0.000248 -0.000816 0.001352 0.001487 -0.002982 0.000670 3C 1f-3 -0.000785 -0.000687 -0.001863 -0.001787 -0.001803 0.002089 4C 1s -0.003185 0.004007 -0.001628 -0.002809 0.000274 0.000254 4C 2s -0.006641 0.009459 -0.003839 -0.006238 0.000688 0.000489 4C 3s 0.016251 -0.008650 -0.001943 -0.009216 0.008607 -0.005669 4C 4s 0.046894 -0.056284 0.050094 0.138048 -0.036455 -0.003765 4C 5s -0.825120 -1.727048 0.899687 1.170774 -0.231243 0.236819 4C 1pz 0.010009 -0.001833 -0.001493 -0.002435 0.011911 -0.020553 4C 1px 0.005529 -0.001065 -0.004464 0.001758 0.007342 0.007889 4C 1py 0.001929 -0.004981 0.006080 -0.005125 -0.000252 -0.010099 4C 2pz 0.008990 -0.001092 -0.019763 -0.041542 -0.022813 -0.007551 4C 2px -0.013106 -0.009311 -0.005226 0.009756 0.062714 -0.007839 4C 2py -0.005626 0.007867 0.027387 -0.027882 0.005855 -0.010373 4C 3pz 0.325068 0.727736 -0.284360 -0.421284 0.024800 -0.184076 4C 3px 0.117115 0.057841 0.098639 0.043319 0.451145 -0.086708 4C 3py 0.213795 0.358384 -0.303106 -0.234048 0.101569 -0.081884 4C 1dz2 0.000980 0.001270 -0.001615 -0.000408 -0.000381 0.001646 4C 1dxz -0.001024 -0.002560 0.000723 0.002012 0.001860 -0.002820 4C 1dyz 0.003686 0.006461 -0.002936 -0.002552 0.000910 -0.000293 4C 1dx2y2 0.002855 0.004555 -0.002849 -0.002969 0.001104 -0.000965 4C 1dxy 0.002348 0.004184 -0.001676 -0.001852 0.001752 -0.002233 4C 2dz2 0.002169 -0.024374 0.015353 0.019633 -0.010953 -0.005484 4C 2dxz 0.003668 -0.007616 0.003334 0.008840 0.044734 -0.043030 4C 2dyz -0.001127 -0.026323 0.014850 0.030461 0.004765 -0.010138 4C 2dx2y2 -0.007662 0.019141 -0.004397 -0.010438 -0.009918 0.016254 4C 2dxy -0.000600 0.001381 -0.003861 0.003892 0.016746 -0.020339 4C 1f0 0.000029 -0.000059 -0.000264 -0.000549 0.000283 -0.000903 4C 1f+1 -0.000177 -0.000786 0.000796 -0.000648 0.002134 -0.000682 4C 1f-1 0.000489 0.000619 -0.000892 -0.000870 -0.000158 0.000277 4C 1f+2 -0.000065 -0.000326 0.000102 0.000885 -0.002832 0.002079 4C 1f-2 -0.000305 -0.000791 -0.000822 -0.000019 0.000903 0.000000 4C 1f+3 0.000295 0.000392 0.001353 -0.000152 -0.000668 0.001136 4C 1f-3 0.000415 -0.001283 -0.001002 -0.000819 0.000115 -0.001443 5C 1s -0.002947 0.001950 0.003900 0.003082 0.000711 0.001116 5C 2s -0.006109 0.004577 0.009183 0.006796 0.001879 0.002534 5C 3s 0.015923 -0.001754 -0.003382 0.008441 -0.018387 -0.011281 5C 4s 0.040360 -0.044567 -0.084649 -0.143988 0.074082 0.008172 5C 5s -0.913482 -0.863101 -1.771546 -1.049314 0.281245 0.274525 5C 1pz -0.004076 -0.006274 -0.003270 0.003642 -0.005413 -0.002362 5C 1px -0.003050 -0.000675 -0.004579 0.002802 -0.001437 0.012450 5C 1py -0.015345 -0.000572 -0.001172 -0.001539 0.017341 0.028163 5C 2pz -0.005023 -0.017631 0.003592 0.026600 -0.032984 0.003638 5C 2px -0.005939 -0.024367 0.005555 0.006714 0.045192 -0.003790 5C 2py -0.009510 -0.026106 0.007522 -0.037498 0.037283 0.029358 5C 3pz 0.206553 0.313328 0.323321 0.243957 -0.220168 -0.151367 5C 3px 0.076648 0.105860 0.244606 0.090226 0.231740 0.018078 5C 3py -0.395153 -0.232158 -0.700578 -0.364521 0.339073 0.238370 5C 1dz2 -0.003119 -0.003074 -0.004879 -0.002429 -0.000930 0.000645 5C 1dxz -0.001360 -0.001649 -0.002031 -0.001737 -0.000323 -0.000725 5C 1dyz -0.004223 -0.003060 -0.007206 -0.002952 -0.000587 -0.001462 5C 1dx2y2 0.001147 0.000213 0.002101 0.001597 0.002202 -0.000834 5C 1dxy -0.001032 -0.000963 -0.001515 0.000035 -0.001730 0.002062 5C 2dz2 0.004150 0.002173 0.000220 0.003169 -0.019094 -0.004510 5C 2dxz 0.006054 -0.007233 -0.009378 -0.009401 0.020491 -0.016507 5C 2dyz 0.003616 0.009318 0.026044 0.026019 0.005280 0.003023 5C 2dx2y2 -0.001479 0.015484 0.025403 0.021029 0.018223 0.008224 5C 2dxy -0.001351 0.015651 0.009420 0.014729 -0.018871 0.016937 5C 1f0 -0.000224 -0.000366 -0.000487 -0.000196 0.000318 -0.000656 5C 1f+1 -0.000051 0.001255 -0.001047 0.000459 -0.000985 -0.000549 5C 1f-1 -0.000505 0.000326 -0.000736 -0.000214 0.001388 0.000591 5C 1f+2 -0.000316 -0.001300 -0.000225 -0.000438 0.000132 0.000294 5C 1f-2 -0.000185 0.000716 -0.000674 -0.000752 -0.000347 0.000965 5C 1f+3 -0.000366 0.000332 -0.000504 0.000966 -0.002058 -0.000380 5C 1f-3 -0.000541 0.000977 -0.000540 -0.000793 0.001481 0.002013 6C 1s -0.002958 -0.001966 -0.003889 0.003051 0.000734 -0.001116 6C 2s -0.006135 -0.004611 -0.009162 0.006726 0.001930 -0.002536 6C 3s 0.015918 0.001727 0.003399 0.008453 -0.018339 0.011463 6C 4s 0.040397 0.045056 0.083730 -0.142992 0.072935 -0.008650 6C 5s -0.904654 0.860580 1.778552 -1.039902 0.281349 -0.286867 6C 1pz 0.003735 -0.006130 -0.003300 -0.003457 0.005623 -0.002967 6C 1px 0.002970 -0.000628 -0.004584 -0.002733 0.001577 0.012640 6C 1py 0.015099 -0.000427 -0.001191 0.001542 -0.017281 0.028399 6C 2pz 0.004898 -0.017622 0.003774 -0.026289 0.033330 0.002769 6C 2px 0.005811 -0.024486 0.005200 -0.006691 -0.044792 -0.001843 6C 2py 0.009445 -0.025662 0.007188 0.037303 -0.037174 0.029993 6C 3pz -0.205559 0.313018 0.326984 -0.240700 0.218522 -0.160921 6C 3px -0.074010 0.105853 0.245165 -0.086949 -0.226874 0.022132 6C 3py 0.389222 -0.231839 -0.706410 0.360801 -0.341729 0.250343 6C 1dz2 -0.003094 0.003064 0.004898 -0.002407 -0.000926 -0.000658 6C 1dxz -0.001353 0.001652 0.002049 -0.001732 -0.000332 0.000750 6C 1dyz -0.004183 0.003067 0.007258 -0.002939 -0.000608 0.001466 6C 1dx2y2 0.001140 -0.000224 -0.002115 0.001585 0.002207 0.000799 6C 1dxy -0.001025 0.000961 0.001518 0.000045 -0.001715 -0.002063 6C 2dz2 0.004155 -0.002136 -0.000071 0.003138 -0.018636 0.004688 6C 2dxz 0.006182 0.007123 0.009478 -0.009284 0.020252 0.016111 6C 2dyz 0.003597 -0.009340 -0.026046 0.025937 0.005275 -0.003301 6C 2dx2y2 -0.001692 -0.015298 -0.025716 0.020993 0.018126 -0.008936 6C 2dxy -0.001495 -0.015505 -0.009425 0.014464 -0.018769 -0.016395 6C 1f0 0.000209 -0.000358 -0.000500 0.000187 -0.000312 -0.000648 6C 1f+1 0.000034 0.001263 -0.001057 -0.000450 0.000996 -0.000605 6C 1f-1 0.000491 0.000322 -0.000731 0.000214 -0.001387 0.000623 6C 1f+2 0.000327 -0.001292 -0.000232 0.000439 -0.000143 0.000324 6C 1f-2 0.000178 0.000712 -0.000647 0.000758 0.000344 0.000938 6C 1f+3 0.000359 0.000337 -0.000521 -0.000957 0.002010 -0.000399 6C 1f-3 0.000544 0.000967 -0.000523 0.000797 -0.001480 0.002070 7C 1s -0.003166 -0.004013 0.001650 -0.002814 0.000262 -0.000225 7C 2s -0.006596 -0.009471 0.003884 -0.006253 0.000661 -0.000419 7C 3s 0.016222 0.008701 0.001777 -0.009137 0.008895 0.005284 7C 4s 0.046653 0.056270 -0.049827 0.137773 -0.036728 0.004418 7C 5s -0.832017 1.723048 -0.895626 1.171351 -0.242403 -0.227008 7C 1pz -0.009827 -0.002066 -0.001384 0.002337 -0.012504 -0.019893 7C 1px -0.005574 -0.001245 -0.004316 -0.001777 -0.007064 0.008068 7C 1py -0.002045 -0.004694 0.005964 0.005115 -0.000327 -0.010139 7C 2pz -0.008993 -0.001252 -0.019568 0.041325 0.022188 -0.006715 7C 2px 0.012933 -0.009612 -0.005177 -0.009761 -0.062675 -0.007652 7C 2py 0.005513 0.008263 0.027115 0.028149 -0.006496 -0.010554 7C 3pz -0.326012 0.727602 -0.281749 0.423215 -0.031701 -0.172354 7C 3px -0.115891 0.054864 0.100706 -0.047144 -0.456490 -0.083297 7C 3py -0.217390 0.360605 -0.302680 0.233924 -0.109856 -0.077474 7C 1dz2 0.000949 -0.001218 0.001578 -0.000384 -0.000433 -0.001678 7C 1dxz -0.001050 0.002582 -0.000730 0.002037 0.001912 0.002745 7C 1dyz 0.003749 -0.006481 0.002944 -0.002574 0.000928 0.000306 7C 1dx2y2 0.002859 -0.004504 0.002826 -0.002958 0.001093 0.000949 7C 1dxy 0.002375 -0.004162 0.001664 -0.001846 0.001849 0.002279 7C 2dz2 0.001873 0.024317 -0.015372 0.019674 -0.010982 0.005310 7C 2dxz 0.003771 0.007424 -0.003268 0.008581 0.045534 0.042638 7C 2dyz -0.001356 0.026446 -0.014979 0.030623 0.005042 0.010183 7C 2dx2y2 -0.007537 -0.019374 0.004483 -0.010666 -0.010424 -0.016278 7C 2dxy -0.000453 -0.001503 0.004033 0.003755 0.017295 0.020353 7C 1f0 -0.000042 -0.000056 -0.000265 0.000538 -0.000361 -0.000912 7C 1f+1 0.000177 -0.000786 0.000807 0.000639 -0.002149 -0.000655 7C 1f-1 -0.000508 0.000631 -0.000887 0.000873 0.000151 0.000288 7C 1f+2 0.000056 -0.000316 0.000094 -0.000888 0.002895 0.002020 7C 1f-2 0.000297 -0.000785 -0.000821 0.000020 -0.000885 0.000004 7C 1f+3 -0.000279 0.000374 0.001364 0.000146 0.000700 0.001138 7C 1f-3 -0.000409 -0.001282 -0.000992 0.000803 -0.000142 -0.001401 8C 1s -0.015124 0.013031 0.027914 -0.022395 0.005386 -0.004867 8C 2s -0.033929 0.029239 0.062995 -0.050487 0.012192 -0.010899 8C 3s 0.088682 -0.074474 -0.170945 0.133914 -0.030614 0.027807 8C 4s -0.062036 0.037637 0.147502 -0.095775 0.020800 -0.028171 8C 5s 2.024972 -1.814165 -4.021673 2.939235 -0.916274 0.739590 8C 1pz 0.002229 -0.017787 -0.006611 0.024166 -0.005526 -0.013504 8C 1px 0.013809 -0.016748 -0.020218 0.020594 0.040621 0.039019 8C 1py -0.023568 0.010864 0.049404 -0.049259 0.031947 -0.003793 8C 2pz -0.008636 0.026752 0.037739 -0.028527 0.002997 0.010310 8C 2px -0.015119 0.012520 0.026193 -0.009763 -0.002961 0.014252 8C 2py 0.022771 -0.035059 -0.057956 0.030594 -0.004003 -0.008038 8C 3pz -0.163553 0.034497 0.256508 -0.049875 0.063703 -0.226014 8C 3px 0.038966 -0.010493 0.002610 -0.056258 0.430983 0.123706 8C 3py 0.052377 -0.126813 -0.163607 0.100326 0.001317 0.132082 8C 1dz2 -0.000825 -0.000103 0.000834 0.000141 0.000273 0.000459 8C 1dxz -0.000710 -0.000080 0.000256 0.000455 -0.002975 -0.003763 8C 1dyz -0.002302 0.001645 0.002489 -0.000394 -0.001835 -0.000877 8C 1dx2y2 -0.000612 0.000258 0.000820 -0.000585 -0.000848 0.000848 8C 1dxy -0.000236 0.000352 0.000687 -0.000200 -0.001528 0.002577 8C 2dz2 -0.006544 0.004109 0.016168 -0.014270 0.010981 -0.002030 8C 2dxz 0.006732 0.000254 -0.018112 0.016596 -0.038540 -0.013135 8C 2dyz -0.017990 0.013748 0.049992 -0.046734 0.004412 -0.014508 8C 2dx2y2 -0.011938 0.027218 0.025828 -0.031742 0.002003 -0.001823 8C 2dxy -0.014006 0.022188 0.028787 -0.033657 0.010907 -0.002830 8C 1f0 0.002135 -0.003860 -0.004293 0.005225 -0.000429 0.000424 8C 1f+1 0.000748 -0.000820 -0.001475 0.001416 -0.002154 -0.001243 8C 1f-1 0.002311 -0.001229 -0.005156 0.004210 -0.002323 0.000848 8C 1f+2 -0.004691 0.004040 0.009500 -0.007256 0.000458 -0.001438 8C 1f-2 -0.003153 0.002520 0.006150 -0.004514 0.001776 -0.000258 8C 1f+3 -0.000272 -0.000770 0.001437 -0.001564 0.002939 0.000600 8C 1f-3 0.000728 -0.000677 -0.001775 0.001691 0.001820 0.002062 9C 1s -0.014466 0.027242 -0.013223 0.023407 -0.002776 -0.004495 9C 2s -0.032346 0.061498 -0.029691 0.052812 -0.006112 -0.010120 9C 3s 0.082245 -0.166263 0.074774 -0.140013 0.012600 0.028379 9C 4s -0.046510 0.141163 -0.036885 0.102250 -0.002899 -0.047025 9C 5s 1.849200 -3.946123 1.853307 -3.136121 0.344309 0.579564 9C 1pz 0.015424 -0.042434 0.009434 -0.050207 -0.010358 -0.017132 9C 1px 0.020231 -0.024815 0.009004 -0.012634 0.066367 0.085504 9C 1py 0.010668 -0.017883 0.024540 -0.031593 -0.010953 0.000682 9C 2pz -0.017779 0.058920 -0.033708 0.035039 0.002475 0.019068 9C 2px -0.015169 0.012489 -0.008097 0.001363 -0.000396 0.009887 9C 2py -0.012169 0.041929 -0.024281 0.029143 0.005819 0.016726 9C 3pz -0.099767 0.183072 -0.133464 0.104962 -0.199198 -0.238606 9C 3px 0.174264 -0.075100 0.003791 0.044645 0.521843 0.497156 9C 3py -0.085447 0.190535 -0.029538 0.078231 -0.134357 -0.125122 9C 1dz2 0.000894 -0.001689 0.000505 -0.000592 -0.001171 -0.000709 9C 1dxz -0.000941 0.000508 -0.000624 0.000085 -0.003425 -0.006322 9C 1dyz 0.002137 -0.002299 0.001513 -0.000567 0.001058 0.000769 9C 1dx2y2 0.000943 -0.000271 -0.000078 0.000345 0.003518 0.004281 9C 1dxy 0.000673 -0.000416 0.000112 0.000151 0.000375 -0.001613 9C 2dz2 0.012865 -0.028245 0.018241 -0.033120 0.003346 0.001094 9C 2dxz 0.002007 -0.015175 0.022300 -0.023454 -0.036915 -0.032973 9C 2dyz 0.022370 -0.051842 0.023749 -0.054999 0.020181 0.023610 9C 2dx2y2 0.000064 0.013903 0.000659 0.016598 0.021370 0.031204 9C 2dxy 0.001908 -0.020212 -0.002170 -0.016494 0.000267 -0.003639 9C 1f0 0.000715 -0.003133 0.000233 -0.002523 -0.001384 -0.002456 9C 1f+1 -0.000297 0.001059 0.000587 0.000700 -0.001991 -0.001733 9C 1f-1 0.000940 -0.000626 0.000296 0.001050 0.001566 0.002323 9C 1f+2 -0.002650 0.006436 -0.002905 0.005519 0.002326 0.001934 9C 1f-2 0.003359 -0.006859 0.001832 -0.005390 0.002094 0.002603 9C 1f+3 -0.003726 0.007752 -0.004936 0.007883 0.000277 -0.000668 9C 1f-3 -0.001416 0.002167 -0.000483 0.001594 -0.003483 -0.003982 10H 1s -0.001178 -0.005063 0.002222 0.005475 0.008095 -0.014579 10H 2s 0.011231 0.069041 -0.038022 -0.082500 -0.090200 0.093982 10H 3s -0.297525 -0.978037 0.458764 1.003687 0.675054 -0.773526 10H 1pz 0.003162 0.011462 -0.005450 -0.011930 -0.009341 0.011214 10H 1px -0.007401 -0.022663 0.010959 0.023189 0.015705 -0.017731 10H 1py 0.001312 0.003545 -0.002069 -0.003415 -0.002382 0.003141 11H 1s -0.005414 -0.007192 0.004939 0.006622 -0.004851 0.007733 11H 2s 0.034960 0.081694 0.018820 -0.049555 0.069320 -0.057184 11H 3s -0.662690 -1.252412 0.450887 0.952257 -0.529122 0.626231 11H 1pz 0.008290 0.016625 -0.003613 -0.012464 0.010574 -0.012278 11H 1px 0.009476 0.019645 -0.004545 -0.015134 0.008517 -0.008720 11H 1py -0.009385 -0.017982 0.004631 0.013142 -0.007815 0.007881 12H 1s -0.004759 -0.008104 0.002449 0.006066 -0.002881 0.005754 12H 2s 0.040676 0.044239 -0.070337 -0.056930 0.025269 -0.056541 12H 3s -0.587280 -1.091756 0.630876 0.966924 -0.255811 0.514920 12H 1pz -0.005305 -0.008965 0.005859 0.008092 -0.001079 0.002148 12H 1px 0.005049 0.009660 -0.006436 -0.009656 0.000902 -0.003528 12H 1py 0.013486 0.022206 -0.015691 -0.020372 0.007789 -0.014487 13H 1s -0.001680 -0.001953 -0.004416 -0.005764 0.005623 -0.007007 13H 2s 0.033759 0.043237 0.070059 0.067871 -0.073713 0.022085 13H 3s -0.434163 -0.469332 -0.980436 -0.948626 0.673292 -0.239413 13H 1pz 0.008228 0.008825 0.016903 0.015338 -0.012934 0.003534 13H 1px -0.009004 -0.009298 -0.019006 -0.017821 0.011778 -0.004238 13H 1py -0.002724 -0.003361 -0.006627 -0.006277 0.005809 -0.001824 14H 1s -0.005559 -0.002487 -0.008325 -0.005529 -0.005001 0.005595 14H 2s 0.025381 0.075418 0.047482 0.066624 0.061124 -0.024929 14H 3s -0.578819 -0.620453 -1.084605 -0.929470 -0.300322 0.355367 14H 1pz 0.007465 0.009243 0.012747 0.010894 0.005254 -0.006613 14H 1px 0.011564 0.015247 0.021922 0.020754 0.007875 -0.007405 14H 1py 0.004245 0.004803 0.007156 0.006236 0.002158 -0.000748 15H 1s -0.004455 -0.005321 -0.007707 -0.006276 0.000628 0.001834 15H 2s 0.038236 -0.019729 0.087435 0.055435 -0.026778 -0.023389 15H 3s -0.702726 -0.427296 -1.285847 -0.911329 0.278662 0.352510 15H 1pz -0.012600 -0.005569 -0.024166 -0.017336 0.004778 0.004987 15H 1px 0.001546 0.000747 0.004105 0.003679 -0.003158 -0.000063 15H 1py -0.010542 -0.004374 -0.021617 -0.015511 0.004746 0.006609 16H 1s 0.027135 -0.002451 -0.002805 0.004453 0.028305 -0.022715 16H 2s 0.058880 0.007407 -0.007290 0.001116 0.017878 -0.015115 16H 3s 0.477505 -0.224350 -0.002521 0.155871 0.904734 -0.705226 16H 1pz -0.017374 0.006914 0.001081 -0.004327 -0.027025 0.022039 16H 1px 0.000011 0.000231 0.000377 -0.000021 0.003193 -0.002543 16H 1py -0.007039 0.003911 0.000041 -0.002340 -0.014748 0.012543 17H 1s 0.027065 0.002420 -0.002201 -0.005129 -0.029153 0.033074 17H 2s 0.053162 -0.009312 -0.006769 -0.011126 -0.035944 0.040767 17H 3s 0.484757 0.144887 0.083524 -0.154495 -0.889877 1.015361 17H 1pz 0.012226 0.004415 0.000941 -0.002308 -0.015097 0.016184 17H 1px 0.011310 0.003447 0.000641 -0.002337 -0.017572 0.019571 17H 1py -0.010394 -0.003913 -0.001258 0.003183 0.018189 -0.019527 18H 1s 0.027080 -0.002339 0.002048 -0.005138 -0.029700 -0.032466 18H 2s 0.053840 0.009690 0.006201 -0.010775 -0.036228 -0.039601 18H 3s 0.483422 -0.145931 -0.083684 -0.155332 -0.907617 -0.997330 18H 1pz -0.012454 0.004532 0.000955 0.002421 0.015860 0.016388 18H 1px -0.011288 0.003473 0.000654 0.002399 0.018001 0.019311 18H 1py 0.009978 -0.003811 -0.001225 -0.003162 -0.018027 -0.018634 19H 1s 0.027238 0.002552 0.002577 0.004495 0.028744 0.022029 19H 2s 0.059435 -0.007243 0.007167 0.001243 0.018249 0.014343 19H 3s 0.479002 0.225505 -0.005775 0.158135 0.918701 0.685490 19H 1pz 0.017252 0.006882 0.000806 0.004317 0.027076 0.021142 19H 1px -0.000142 0.000175 0.000365 -0.000009 -0.003472 -0.002660 19H 1py 0.007447 0.004082 -0.000055 0.002436 0.015559 0.012668 20H 1s -0.004443 0.005315 0.007763 -0.006241 0.000736 -0.001972 20H 2s 0.037199 0.018712 -0.087367 0.055332 -0.026599 0.023216 20H 3s -0.693373 0.429973 1.291972 -0.906902 0.283658 -0.360601 20H 1pz 0.012421 -0.005670 -0.024276 0.017263 -0.004809 0.005060 20H 1px -0.001620 0.000821 0.004326 -0.003817 0.003159 -0.000138 20H 1py 0.010352 -0.004466 -0.021612 0.015361 -0.004793 0.006743 21H 1s -0.005485 0.002500 0.008400 -0.005503 -0.004944 -0.005511 21H 2s 0.025384 -0.075067 -0.047869 0.065724 0.060480 0.023390 21H 3s -0.574917 0.622293 1.092075 -0.920967 -0.292992 -0.353411 21H 1pz -0.007488 0.009326 0.012990 -0.010925 -0.005175 -0.006613 21H 1px -0.011423 0.015186 0.021968 -0.020467 -0.007723 -0.007201 21H 1py -0.004251 0.004862 0.007272 -0.006245 -0.002132 -0.000735 22H 1s -0.001625 0.001973 0.004421 -0.005745 0.005429 0.007214 22H 2s 0.033383 -0.042556 -0.070586 0.067535 -0.073280 -0.020520 22H 3s -0.428991 0.469365 0.985956 -0.943602 0.662157 0.236517 22H 1pz -0.008056 0.008703 0.016868 -0.015130 0.012718 0.003367 22H 1px 0.008943 -0.009315 -0.019198 0.017791 -0.011677 -0.004150 22H 1py 0.002743 -0.003403 -0.006778 0.006329 -0.005820 -0.001780 23H 1s -0.004842 0.008072 -0.002473 0.006051 -0.003185 -0.005727 23H 2s 0.041779 -0.043802 0.070858 -0.056228 0.026543 0.055865 23H 3s -0.597601 1.088858 -0.634894 0.964866 -0.277475 -0.509683 23H 1pz 0.005448 -0.009031 0.005966 -0.008167 0.001183 0.002177 23H 1px -0.004952 0.009287 -0.006250 0.009336 -0.000928 -0.003322 23H 1py -0.013763 0.022208 -0.015829 0.020387 -0.008313 -0.014347 24H 1s -0.005423 0.007174 -0.004917 0.006592 -0.005016 -0.007628 24H 2s 0.034843 -0.081009 -0.018635 -0.050327 0.070753 0.057017 24H 3s -0.664148 1.246066 -0.450392 0.954013 -0.545267 -0.615105 24H 1pz -0.008258 0.016434 -0.003590 0.012414 -0.010870 -0.012075 24H 1px -0.009648 0.019844 -0.004627 0.015435 -0.008868 -0.008784 24H 1py 0.009286 -0.017604 0.004573 -0.012958 0.007917 0.007648 25H 1s -0.001184 0.004978 -0.002207 0.005497 0.008559 0.014423 25H 2s 0.011116 -0.069136 0.037415 -0.082303 -0.091910 -0.093912 25H 3s -0.299235 0.975509 -0.456993 1.006943 0.698163 0.770276 25H 1pz -0.003230 0.011593 -0.005475 0.012080 0.009674 0.011298 25H 1px 0.007418 -0.022577 0.010861 -0.023181 -0.016117 -0.017654 25H 1py -0.001204 0.003274 -0.001903 0.003149 0.002293 0.002991 26O 1s -0.002364 -0.008385 0.003200 0.003598 0.004431 -0.003244 26O 2s -0.005796 -0.020882 0.007938 0.008929 0.011428 -0.008443 26O 3s 0.009400 0.041277 -0.015215 -0.016765 -0.028332 0.022380 26O 4s 0.017010 0.016333 -0.005478 -0.006549 0.021226 -0.021821 26O 5s 0.095363 0.270527 -0.150387 -0.172867 -0.320604 0.179951 26O 1pz 0.009201 -0.021384 -0.007914 0.025671 0.008764 -0.010266 26O 1px -0.021401 -0.016734 0.002137 0.004332 -0.031134 0.027805 26O 1py -0.000227 0.000268 0.029537 0.017198 -0.003704 0.007895 26O 2pz 0.012957 -0.014043 -0.012328 0.020135 0.005768 -0.009648 26O 2px -0.027019 -0.017473 0.001887 0.008919 -0.020791 0.022285 26O 2py 0.000118 0.002988 0.020223 0.013294 -0.006220 0.008099 26O 3pz -0.032865 -0.056624 0.033602 0.049499 0.000343 0.054081 26O 3px -0.022308 -0.051382 0.042792 0.046754 0.051293 -0.015586 26O 3py -0.032387 -0.030738 0.098549 0.056496 0.046471 0.019755 26O 1dz2 -0.000590 0.000216 0.000092 -0.000109 -0.000620 0.000419 26O 1dxz -0.000199 0.000440 0.000144 -0.000306 -0.000864 0.001412 26O 1dyz -0.000153 0.000014 -0.000221 0.000009 -0.000087 0.000370 26O 1dx2y2 0.000791 -0.000156 0.000468 0.000158 0.000869 -0.000975 26O 1dxy 0.000532 -0.000032 -0.000146 0.000128 0.000581 0.000063 26O 2dz2 -0.003511 -0.000861 0.001833 0.001644 0.002321 0.000446 26O 2dxz 0.000926 -0.000116 0.000175 -0.001874 -0.002552 0.001322 26O 2dyz 0.001746 0.002675 -0.000705 -0.001858 -0.000229 0.001131 26O 2dx2y2 0.004941 0.003241 -0.002705 -0.002222 -0.001976 0.000460 26O 2dxy 0.006526 0.003694 -0.003865 -0.004116 -0.001593 0.000788 26O 1f0 0.000004 -0.000069 -0.000110 -0.000094 0.000063 -0.000001 26O 1f+1 0.000365 0.000138 -0.000183 -0.000183 0.000002 -0.000146 26O 1f-1 0.000149 0.000037 -0.000056 -0.000177 -0.000043 0.000046 26O 1f+2 0.000156 0.000271 -0.000294 -0.000010 0.000029 -0.000079 26O 1f-2 -0.000144 -0.000341 0.000200 0.000239 -0.000120 0.000047 26O 1f+3 0.000235 0.000316 -0.000112 -0.000173 -0.000095 -0.000062 26O 1f-3 0.000633 0.000597 -0.000460 -0.000482 0.000167 -0.000091 27O 1s -0.004120 -0.003865 -0.008988 -0.002856 0.001039 -0.001519 27O 2s -0.010209 -0.009558 -0.022365 -0.007066 0.002606 -0.003989 27O 3s 0.018901 0.017597 0.043787 0.012898 -0.004140 0.011491 27O 4s 0.018557 0.012733 0.021625 0.006626 -0.005667 -0.016779 27O 5s 0.137224 0.130894 0.269087 0.124060 -0.167278 0.085555 27O 1pz 0.010293 -0.024234 0.006300 -0.013896 0.012069 -0.009094 27O 1px -0.010339 -0.014567 -0.009357 -0.011792 -0.017176 0.005562 27O 1py 0.004041 -0.011155 0.023274 0.022722 0.000616 -0.011112 27O 2pz 0.016149 -0.016804 0.010161 -0.010113 0.008576 -0.010596 27O 2px -0.013732 -0.014972 -0.012782 -0.014335 -0.000471 0.005061 27O 2py -0.001997 -0.010445 0.019217 0.020158 0.002303 -0.007747 27O 3pz -0.035699 -0.053886 -0.005186 -0.024406 0.017981 0.039146 27O 3px -0.030657 -0.067082 -0.032712 -0.042858 0.049300 -0.001643 27O 3py 0.061723 0.000159 0.039372 0.026676 -0.065809 -0.063960 27O 1dz2 -0.000372 0.000334 -0.000129 -0.000022 -0.000271 0.000022 27O 1dxz -0.000275 0.000446 0.000127 0.000165 -0.000401 0.000688 27O 1dyz -0.000004 -0.000061 0.000112 0.000131 0.000172 0.000015 27O 1dx2y2 0.000674 -0.000054 -0.000290 -0.000121 0.000295 -0.000381 27O 1dxy -0.000007 0.000100 -0.000407 -0.000243 -0.000471 -0.000907 27O 2dz2 -0.004244 -0.003491 -0.003430 -0.002696 0.005578 -0.000902 27O 2dxz 0.000988 -0.000161 -0.000642 0.000267 0.000611 -0.001115 27O 2dyz -0.001149 -0.001669 -0.002989 -0.001030 -0.002466 -0.000819 27O 2dx2y2 0.005917 0.004211 0.003259 0.002250 -0.006649 -0.000350 27O 2dxy -0.003576 -0.000798 -0.000842 -0.002276 0.002783 -0.000792 27O 1f0 -0.000064 -0.000059 -0.000105 -0.000092 0.000121 0.000018 27O 1f+1 0.000428 0.000367 0.000533 0.000356 -0.000246 -0.000062 27O 1f-1 -0.000062 0.000026 -0.000201 -0.000131 -0.000030 -0.000053 27O 1f+2 0.000164 0.000048 0.000244 0.000002 -0.000153 0.000021 27O 1f-2 0.000217 0.000276 0.000432 0.000145 0.000123 -0.000009 27O 1f+3 0.000452 0.000373 0.000326 0.000273 -0.000292 -0.000142 27O 1f-3 0.000015 -0.000180 -0.000133 -0.000338 0.000011 -0.000202 28O 1s -0.003519 -0.008455 0.004802 0.002733 -0.001256 -0.002618 28O 2s -0.008745 -0.020827 0.011845 0.006621 -0.003322 -0.006337 28O 3s 0.016543 0.037701 -0.021336 -0.009985 0.007375 0.011598 28O 4s 0.017640 0.038664 -0.023785 -0.021877 -0.003084 0.006541 28O 5s 0.102075 0.174607 -0.084377 -0.031989 0.282368 -0.048270 28O 1pz 0.001011 -0.021738 -0.009816 0.022326 -0.004099 -0.011539 28O 1px 0.012329 0.002403 -0.010634 -0.002581 -0.022681 0.009810 28O 1py 0.003544 0.008409 0.025914 0.015535 0.008161 0.008644 28O 2pz 0.000804 -0.022848 -0.002031 0.023033 -0.019479 0.005649 28O 2px 0.014812 0.002448 -0.010735 -0.001013 -0.002076 -0.008487 28O 2py 0.005096 0.004544 0.020394 0.016915 0.004914 0.012373 28O 3pz -0.022855 0.002954 -0.039784 -0.001907 -0.070058 -0.041561 28O 3px -0.007569 0.031380 -0.034812 -0.026607 0.034596 0.033886 28O 3py -0.009966 0.037595 0.028432 -0.008223 -0.015980 -0.021257 28O 1dz2 0.000033 0.000655 0.000225 -0.000375 0.000271 -0.000025 28O 1dxz -0.000685 -0.000123 0.000112 0.000240 0.000835 0.000372 28O 1dyz 0.000215 0.000039 -0.000266 -0.000189 0.000257 -0.000613 28O 1dx2y2 0.000698 -0.000245 0.000211 0.000114 -0.000320 -0.000434 28O 1dxy -0.000027 -0.000234 0.000481 0.000310 0.000316 0.000077 28O 2dz2 0.000663 -0.000421 -0.000263 -0.000176 0.001146 -0.001940 28O 2dxz -0.005011 -0.002472 0.001178 0.001732 -0.007860 0.002446 28O 2dyz 0.002112 0.003849 -0.002306 -0.001229 0.002586 -0.001749 28O 2dx2y2 0.002987 0.004143 -0.002866 -0.002342 0.004495 -0.001376 28O 2dxy -0.000920 0.002217 -0.001519 -0.000915 -0.000072 0.000553 28O 1f0 0.000161 0.000129 -0.000192 -0.000099 0.000165 -0.000020 28O 1f+1 -0.000010 0.000149 -0.000092 -0.000222 -0.000018 -0.000124 28O 1f-1 -0.000107 -0.000225 0.000012 0.000051 -0.000052 -0.000006 28O 1f+2 -0.000343 -0.000533 0.000239 0.000348 -0.000347 0.000066 28O 1f-2 0.000031 0.000258 -0.000217 -0.000153 0.000029 0.000091 28O 1f+3 -0.000313 -0.000351 0.000249 0.000186 -0.000244 0.000015 28O 1f-3 -0.000099 -0.000164 0.000069 0.000063 0.000051 -0.000007 29O 1s 0.018736 0.000085 -0.001865 -0.000450 -0.000855 0.003612 29O 2s 0.047147 0.000081 -0.004413 -0.001100 -0.002088 0.009141 29O 3s -0.101327 0.001817 0.005317 0.001767 0.003203 -0.020383 29O 4s -0.025051 -0.010815 0.022687 0.002728 0.005882 0.000980 29O 5s -0.545047 0.032639 -0.008479 0.011945 0.020957 -0.152235 29O 1pz 0.022265 -0.032644 -0.006120 0.022781 0.144244 -0.134627 29O 1px -0.046637 -0.010025 -0.003743 0.008426 0.050483 -0.056128 29O 1py 0.063834 -0.002428 0.011455 -0.002656 -0.014035 0.030254 29O 2pz 0.015092 -0.008391 -0.003109 0.008343 0.070322 -0.068491 29O 2px -0.031622 -0.004014 0.003761 0.004305 0.027350 -0.028721 29O 2py 0.039584 -0.001200 0.006064 -0.000672 -0.008535 0.017053 29O 3pz 0.045318 -0.090665 -0.016157 0.066926 0.349894 -0.325151 29O 3px -0.077276 -0.021349 -0.031313 0.022434 0.111862 -0.124315 29O 3py 0.140874 -0.012004 0.024832 -0.014775 -0.036226 0.079487 29O 1dz2 0.000946 0.000154 0.000086 0.000128 0.000524 -0.000401 29O 1dxz 0.000547 -0.000251 -0.000076 -0.000170 -0.000540 0.000443 29O 1dyz -0.000164 0.000108 -0.000124 0.000217 0.000595 -0.000685 29O 1dx2y2 0.000374 -0.000145 -0.000037 -0.000017 -0.000247 0.000510 29O 1dxy 0.000054 -0.000075 0.000223 0.000072 0.000352 -0.000208 29O 2dz2 0.006355 -0.001627 -0.000185 0.001570 0.010248 -0.008258 29O 2dxz 0.004485 0.001124 0.000130 -0.001171 -0.009122 0.009706 29O 2dyz -0.001083 -0.002890 -0.000682 0.002295 0.015249 -0.014687 29O 2dx2y2 0.000409 0.000015 0.000647 -0.000408 -0.002691 0.003630 29O 2dxy -0.002061 -0.001483 0.001578 0.001000 0.006477 -0.006941 29O 1f0 -0.000207 -0.000163 -0.000113 0.000098 0.000634 -0.000701 29O 1f+1 0.000103 -0.000216 -0.000006 0.000160 0.000730 -0.000642 29O 1f-1 -0.000178 0.000248 0.000054 -0.000223 -0.001270 0.001086 29O 1f+2 0.000010 -0.000131 -0.000048 0.000111 0.000798 -0.000765 29O 1f-2 -0.000192 -0.000242 -0.000031 0.000128 0.001007 -0.001012 29O 1f+3 -0.000139 0.000149 -0.000125 -0.000007 -0.000308 0.000217 29O 1f-3 -0.000060 0.000147 0.000032 -0.000048 -0.000533 0.000513 30O 1s -0.002390 -0.004635 -0.007285 -0.003400 -0.003505 -0.004514 30O 2s -0.005897 -0.011492 -0.017935 -0.008340 -0.009094 -0.011157 30O 3s 0.010184 0.022264 0.031948 0.014147 0.023026 0.021860 30O 4s 0.017003 0.013443 0.032407 0.019190 -0.020694 0.010859 30O 5s 0.076226 0.096651 0.211821 0.070149 0.310045 0.071192 30O 1pz 0.000906 -0.029665 0.002373 -0.015847 -0.013617 -0.008928 30O 1px 0.023244 -0.005709 0.011962 -0.008583 -0.023478 -0.005112 30O 1py 0.001693 -0.009849 0.022594 0.022516 -0.015361 -0.005732 30O 2pz -0.001585 -0.019561 -0.000797 -0.014477 -0.017178 -0.005090 30O 2px 0.025849 -0.005062 0.011834 -0.007130 -0.014685 -0.015607 30O 2py 0.002380 -0.009377 0.024113 0.024849 -0.008724 -0.010873 30O 3pz 0.000077 -0.053918 -0.013168 -0.016259 -0.027628 -0.007829 30O 3px 0.007409 -0.004166 0.066838 0.017315 0.052772 0.039189 30O 3py 0.015463 -0.021180 0.028735 0.002558 0.014058 0.004221 30O 1dz2 -0.000211 0.000549 0.000010 0.000037 0.000756 0.000459 30O 1dxz -0.000818 -0.000135 0.000086 0.000063 0.000578 0.000618 30O 1dyz -0.000495 -0.000320 0.000013 -0.000143 -0.000077 0.000590 30O 1dx2y2 0.000379 -0.000119 -0.000662 -0.000510 -0.000787 -0.000466 30O 1dxy 0.000566 -0.000083 0.000121 0.000099 -0.000818 -0.000338 30O 2dz2 -0.001132 -0.001392 -0.002882 -0.000631 -0.002414 0.000654 30O 2dxz -0.004761 -0.000770 -0.004716 -0.001916 -0.001358 0.002804 30O 2dyz -0.004341 -0.001458 -0.005950 -0.002478 -0.002280 0.001782 30O 2dx2y2 0.002098 0.000454 0.003258 0.000808 -0.002260 -0.000848 30O 2dxy 0.003608 -0.001188 0.001415 0.000566 0.000311 -0.002750 30O 1f0 0.000387 0.000215 0.000514 0.000199 -0.000012 -0.000189 30O 1f+1 0.000019 -0.000101 -0.000113 -0.000045 -0.000187 -0.000285 30O 1f-1 0.000112 0.000197 0.000098 0.000052 -0.000046 -0.000116 30O 1f+2 -0.000197 -0.000076 -0.000216 -0.000095 0.000027 -0.000086 30O 1f-2 -0.000480 -0.000147 -0.000733 -0.000363 0.000050 0.000235 30O 1f+3 -0.000105 -0.000074 -0.000132 0.000019 0.000108 -0.000107 30O 1f-3 -0.000224 0.000002 -0.000242 -0.000121 0.000040 -0.000021 31O 1s -0.002362 0.004656 0.007348 -0.003367 -0.003518 0.004685 31O 2s -0.005830 0.011541 0.018089 -0.008255 -0.009124 0.011588 31O 3s 0.010068 -0.022322 -0.032245 0.013927 0.023063 -0.022791 31O 4s 0.016861 -0.013736 -0.032765 0.019442 -0.020564 -0.010721 31O 5s 0.076010 -0.096895 -0.211145 0.068053 0.309802 -0.081545 31O 1pz -0.000673 -0.029556 0.002340 0.015616 0.013173 -0.008647 31O 1px -0.023113 -0.005785 0.012094 0.008478 0.023337 -0.005877 31O 1py -0.001323 -0.009772 0.022543 -0.022538 0.014754 -0.005452 31O 2pz 0.001818 -0.019634 -0.000829 0.014370 0.016711 -0.004901 31O 2px -0.025725 -0.005115 0.011901 0.007093 0.014581 -0.016083 31O 2py -0.002118 -0.009204 0.024019 -0.024855 0.008055 -0.010433 31O 3pz 0.000043 -0.053357 -0.012292 0.015632 0.028170 -0.009056 31O 3px -0.007611 -0.004024 0.066419 -0.017773 -0.052974 0.041270 31O 3py -0.014821 -0.021687 0.027981 -0.002625 -0.013623 0.004962 31O 1dz2 -0.000212 -0.000551 -0.000010 0.000040 0.000748 -0.000480 31O 1dxz -0.000816 0.000132 -0.000078 0.000065 0.000591 -0.000646 31O 1dyz -0.000496 0.000323 -0.000002 -0.000142 -0.000079 -0.000602 31O 1dx2y2 0.000380 0.000120 0.000661 -0.000509 -0.000793 0.000492 31O 1dxy 0.000564 0.000084 -0.000130 0.000099 -0.000805 0.000348 31O 2dz2 -0.001144 0.001429 0.002894 -0.000637 -0.002433 -0.000592 31O 2dxz -0.004743 0.000751 0.004694 -0.001904 -0.001328 -0.002763 31O 2dyz -0.004305 0.001456 0.005950 -0.002484 -0.002309 -0.001693 31O 2dx2y2 0.002094 -0.000434 -0.003273 0.000824 -0.002242 0.000876 31O 2dxy 0.003619 0.001170 -0.001395 0.000579 0.000357 0.002653 31O 1f0 -0.000384 0.000214 0.000513 -0.000197 0.000010 -0.000191 31O 1f+1 -0.000017 -0.000104 -0.000114 0.000043 0.000181 -0.000281 31O 1f-1 -0.000110 0.000194 0.000097 -0.000052 0.000042 -0.000116 31O 1f+2 0.000193 -0.000076 -0.000219 0.000097 -0.000026 -0.000094 31O 1f-2 0.000474 -0.000146 -0.000732 0.000362 -0.000048 0.000233 31O 1f+3 0.000102 -0.000072 -0.000134 -0.000020 -0.000104 -0.000112 31O 1f-3 0.000224 -0.000001 -0.000242 0.000121 -0.000041 -0.000021 32O 1s 0.018799 -0.000028 0.001740 -0.000453 -0.000905 -0.003645 32O 2s 0.047301 0.000056 0.004096 -0.001103 -0.002215 -0.009225 32O 3s -0.101581 -0.002026 -0.004606 0.001742 0.003484 0.020577 32O 4s -0.025454 0.010359 -0.022660 0.002965 0.005981 -0.000900 32O 5s -0.546184 -0.033258 0.012673 0.010958 0.022327 0.152759 32O 1pz -0.020856 -0.032812 -0.005520 -0.023121 -0.147173 -0.132355 32O 1px 0.047176 -0.009873 -0.003945 -0.008375 -0.050825 -0.054641 32O 1py -0.064049 -0.003047 0.011786 0.002114 0.010818 0.026719 32O 2pz -0.014213 -0.008476 -0.002956 -0.008456 -0.071847 -0.067382 32O 2px 0.032056 -0.003848 0.003573 -0.004262 -0.027439 -0.027914 32O 2py -0.039834 -0.001287 0.006333 0.000513 0.007073 0.015338 32O 3pz -0.042334 -0.090785 -0.014538 -0.068003 -0.356973 -0.319614 32O 3px 0.078606 -0.021259 -0.031571 -0.022271 -0.112941 -0.120743 32O 3py -0.141454 -0.013945 0.025343 0.012731 0.028104 0.070697 32O 1dz2 0.000966 -0.000148 -0.000092 0.000120 0.000505 0.000358 32O 1dxz 0.000543 0.000255 0.000069 -0.000171 -0.000570 -0.000448 32O 1dyz -0.000117 -0.000108 0.000125 0.000220 0.000614 0.000665 32O 1dx2y2 0.000373 0.000146 0.000031 -0.000021 -0.000275 -0.000526 32O 1dxy 0.000070 0.000076 -0.000223 0.000063 0.000339 0.000173 32O 2dz2 0.006418 0.001514 0.000080 0.001488 0.009704 0.007371 32O 2dxz 0.004451 -0.001202 -0.000114 -0.001246 -0.009650 -0.009856 32O 2dyz -0.000758 0.002984 0.000616 0.002360 0.015807 0.014556 32O 2dx2y2 0.000436 -0.000109 -0.000637 -0.000457 -0.003156 -0.003947 32O 2dxy -0.001894 0.001422 -0.001610 0.000980 0.006268 0.006490 32O 1f0 0.000187 -0.000182 -0.000113 -0.000117 -0.000728 -0.000755 32O 1f+1 -0.000115 -0.000208 0.000002 -0.000156 -0.000712 -0.000595 32O 1f-1 0.000185 0.000233 0.000039 0.000211 0.001210 0.000982 32O 1f+2 -0.000015 -0.000131 -0.000044 -0.000114 -0.000818 -0.000748 32O 1f-2 0.000178 -0.000261 -0.000025 -0.000143 -0.001089 -0.001045 32O 1f+3 0.000148 0.000136 -0.000130 0.000002 0.000269 0.000167 32O 1f-3 0.000068 0.000154 0.000027 0.000053 0.000571 0.000526 33O 1s -0.003603 0.008448 -0.004752 0.002759 -0.001144 0.002553 33O 2s -0.008953 0.020813 -0.011718 0.006683 -0.003048 0.006175 33O 3s 0.016915 -0.037706 0.021046 -0.010058 0.006882 -0.011243 33O 4s 0.018095 -0.038542 0.023857 -0.022291 -0.003539 -0.006649 33O 5s 0.103531 -0.173638 0.082165 -0.030770 0.282748 0.050793 33O 1pz -0.001096 -0.021524 -0.009845 -0.022394 0.003731 -0.011505 33O 1px -0.012202 0.002486 -0.010610 0.002492 0.022602 0.009793 33O 1py -0.003356 0.008319 0.026098 -0.015413 -0.008118 0.008680 33O 2pz -0.000790 -0.022662 -0.001945 -0.023141 0.019388 0.005552 33O 2px -0.014754 0.002547 -0.010642 0.000970 0.001551 -0.008371 33O 2py -0.004876 0.004387 0.020657 -0.016973 -0.004706 0.012530 33O 3pz 0.022316 0.003783 -0.040886 0.002522 0.069057 -0.041837 33O 3px 0.007118 0.031095 -0.034980 0.026503 -0.033311 0.032423 33O 3py 0.009841 0.038100 0.027884 0.009509 0.015773 -0.021816 33O 1dz2 0.000035 -0.000652 -0.000225 -0.000376 0.000268 0.000026 33O 1dxz -0.000685 0.000128 -0.000113 0.000242 0.000821 -0.000376 33O 1dyz 0.000220 -0.000043 0.000269 -0.000190 0.000267 0.000611 33O 1dx2y2 0.000688 0.000250 -0.000219 0.000121 -0.000302 0.000410 33O 1dxy -0.000030 0.000232 -0.000485 0.000313 0.000328 -0.000077 33O 2dz2 0.000667 0.000426 0.000260 -0.000166 0.001130 0.001922 33O 2dxz -0.005010 0.002450 -0.001118 0.001739 -0.007919 -0.002393 33O 2dyz 0.002134 -0.003812 0.002275 -0.001231 0.002651 0.001805 33O 2dx2y2 0.003000 -0.004131 0.002841 -0.002339 0.004551 0.001302 33O 2dxy -0.000873 -0.002266 0.001564 -0.000962 -0.000131 -0.000522 33O 1f0 -0.000163 0.000131 -0.000191 0.000100 -0.000168 -0.000021 33O 1f+1 0.000010 0.000149 -0.000092 0.000220 0.000014 -0.000125 33O 1f-1 0.000106 -0.000223 0.000009 -0.000049 0.000053 -0.000007 33O 1f+2 0.000344 -0.000531 0.000236 -0.000349 0.000349 0.000061 33O 1f-2 -0.000032 0.000255 -0.000217 0.000152 -0.000029 0.000087 33O 1f+3 0.000314 -0.000349 0.000245 -0.000185 0.000245 0.000009 33O 1f-3 0.000101 -0.000167 0.000068 -0.000063 -0.000050 -0.000006 34O 1s -0.004063 0.003874 0.009046 -0.002839 0.000986 0.001451 34O 2s -0.010068 0.009578 0.022511 -0.007025 0.002476 0.003823 34O 3s 0.018646 -0.017596 -0.044074 0.012848 -0.003893 -0.011254 34O 4s 0.018266 -0.012957 -0.021774 0.006420 -0.005538 0.017446 34O 5s 0.136554 -0.131031 -0.270006 0.124115 -0.163754 -0.081450 34O 1pz -0.009916 -0.024161 0.006301 0.013804 -0.012010 -0.008537 34O 1px 0.010337 -0.014566 -0.009498 0.011655 0.016981 0.005175 34O 1py -0.003759 -0.011087 0.023263 -0.022728 -0.000374 -0.011159 34O 2pz -0.015777 -0.016803 0.010254 0.010046 -0.008496 -0.010256 34O 2px 0.013694 -0.015115 -0.012907 0.014168 0.000420 0.005145 34O 2py 0.002258 -0.010336 0.019013 -0.020032 -0.002247 -0.007746 34O 3pz 0.035966 -0.053482 -0.005838 0.024260 -0.018388 0.040753 34O 3px 0.030870 -0.066703 -0.032663 0.042674 -0.048321 -0.000047 34O 3py -0.061656 0.000018 0.040547 -0.027487 0.066632 -0.066353 34O 1dz2 -0.000369 -0.000335 0.000131 -0.000023 -0.000266 -0.000013 34O 1dxz -0.000277 -0.000444 -0.000125 0.000168 -0.000391 -0.000688 34O 1dyz -0.000004 0.000059 -0.000113 0.000128 0.000175 -0.000022 34O 1dx2y2 0.000673 0.000052 0.000281 -0.000119 0.000285 0.000362 34O 1dxy -0.000003 -0.000100 0.000405 -0.000242 -0.000467 0.000927 34O 2dz2 -0.004230 0.003485 0.003453 -0.002668 0.005522 0.000748 34O 2dxz 0.000990 0.000174 0.000639 0.000280 0.000632 0.001083 34O 2dyz -0.001120 0.001678 0.002992 -0.001017 -0.002481 0.000853 34O 2dx2y2 0.005882 -0.004196 -0.003274 0.002217 -0.006629 0.000506 34O 2dxy -0.003609 0.000831 0.000902 -0.002284 0.002790 0.000723 34O 1f0 0.000065 -0.000061 -0.000106 0.000091 -0.000119 0.000026 34O 1f+1 -0.000422 0.000367 0.000536 -0.000354 0.000245 -0.000066 34O 1f-1 0.000060 0.000024 -0.000202 0.000132 0.000030 -0.000055 34O 1f+2 -0.000165 0.000049 0.000246 -0.000001 0.000155 0.000010 34O 1f-2 -0.000213 0.000274 0.000434 -0.000145 -0.000122 -0.000005 34O 1f+3 -0.000448 0.000373 0.000329 -0.000268 0.000291 -0.000149 34O 1f-3 -0.000015 -0.000184 -0.000136 0.000337 -0.000011 -0.000204 35O 1s -0.002378 0.008396 -0.003181 0.003607 0.004506 0.003176 35O 2s -0.005828 0.020910 -0.007888 0.008955 0.011623 0.008266 35O 3s 0.009438 -0.041388 0.015113 -0.016885 -0.028863 -0.021909 35O 4s 0.017145 -0.016026 0.005417 -0.006128 0.021841 0.021298 35O 5s 0.095310 -0.271265 0.149271 -0.174575 -0.325641 -0.175603 35O 1pz -0.009254 -0.021226 -0.007713 -0.025715 -0.008540 -0.010117 35O 1px 0.021636 -0.016514 0.001965 -0.004329 0.031922 0.027647 35O 1py 0.000455 0.000016 0.029661 -0.017202 0.003787 0.007749 35O 2pz -0.013103 -0.013760 -0.012113 -0.020050 -0.005546 -0.009269 35O 2px 0.027126 -0.017259 0.001664 -0.008819 0.021591 0.022156 35O 2py 0.000032 0.002784 0.020325 -0.013331 0.006157 0.007871 35O 3pz 0.033599 -0.057449 0.033478 -0.050418 0.001238 0.051552 35O 3px 0.022668 -0.051126 0.042303 -0.046789 -0.052194 -0.015324 35O 3py 0.033330 -0.031199 0.098462 -0.056225 -0.045162 0.019634 35O 1dz2 -0.000594 -0.000215 -0.000091 -0.000109 -0.000632 -0.000415 35O 1dxz -0.000199 -0.000432 -0.000140 -0.000302 -0.000888 -0.001382 35O 1dyz -0.000148 -0.000014 0.000221 0.000008 -0.000093 -0.000366 35O 1dx2y2 0.000792 0.000161 -0.000469 0.000160 0.000910 0.000971 35O 1dxy 0.000532 0.000036 0.000138 0.000126 0.000572 -0.000077 35O 2dz2 -0.003533 0.000847 -0.001796 0.001640 0.002304 -0.000353 35O 2dxz 0.000944 0.000062 -0.000177 -0.001914 -0.002548 -0.001263 35O 2dyz 0.001758 -0.002684 0.000719 -0.001869 -0.000230 -0.001072 35O 2dx2y2 0.004975 -0.003238 0.002625 -0.002187 -0.001892 -0.000432 35O 2dxy 0.006526 -0.003652 0.003794 -0.004089 -0.001672 -0.000922 35O 1f0 -0.000006 -0.000066 -0.000109 0.000095 -0.000060 -0.000000 35O 1f+1 -0.000367 0.000140 -0.000181 0.000182 -0.000007 -0.000140 35O 1f-1 -0.000147 0.000035 -0.000056 0.000175 0.000045 0.000044 35O 1f+2 -0.000160 0.000271 -0.000294 0.000011 -0.000033 -0.000077 35O 1f-2 0.000148 -0.000344 0.000200 -0.000243 0.000121 0.000048 35O 1f+3 -0.000237 0.000319 -0.000109 0.000172 0.000091 -0.000059 35O 1f-3 -0.000635 0.000592 -0.000453 0.000480 -0.000175 -0.000086 132 133 134 135 136 137 0.11217 0.11364 0.11835 0.11898 0.12164 0.12378 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s -0.000969 -0.004410 -0.001912 0.000751 -0.001413 0.001358 0Rh 2s 0.004649 0.016623 0.006755 -0.002870 0.005204 -0.004558 0Rh 3s -0.002747 -0.015318 -0.006927 0.002583 -0.004983 0.005066 0Rh 4s -0.020784 -0.072494 -0.029282 0.012538 -0.022657 0.019598 0Rh 5s 0.024933 0.057291 0.019697 -0.010156 0.017042 -0.010457 0Rh 6s 0.003682 0.126321 0.064289 -0.021261 0.042774 -0.054343 0Rh 7s -0.221158 0.328492 -0.033317 -0.015296 -0.044158 -0.216098 0Rh 8s 2.254126 -1.027731 -0.211346 0.141462 0.007750 2.094923 0Rh 1pz -0.000837 0.004074 0.004648 0.001067 0.001528 0.000368 0Rh 1px 0.002541 -0.011682 -0.005652 -0.001166 -0.004668 -0.001273 0Rh 1py -0.000248 -0.002008 -0.001447 -0.000892 0.001184 -0.001770 0Rh 2pz 0.002899 -0.013967 -0.015959 -0.003670 -0.005279 -0.001263 0Rh 2px -0.008900 0.040041 0.019440 0.004006 0.015973 0.004206 0Rh 2py 0.000787 0.006915 0.004988 0.003018 -0.004083 0.006042 0Rh 3pz -0.003216 0.012616 0.014809 0.003604 0.005477 0.001201 0Rh 3px 0.011525 -0.036019 -0.018729 -0.003831 -0.013829 -0.000821 0Rh 3py 0.000478 -0.006805 -0.005016 -0.001900 0.004084 -0.004984 0Rh 4pz -0.000874 0.016109 0.017086 0.002862 0.003538 0.000957 0Rh 4px -0.002962 -0.046777 -0.017845 -0.003724 -0.020634 -0.016061 0Rh 4py -0.005329 -0.006010 -0.003913 -0.006814 0.003580 -0.008459 0Rh 5pz -0.008513 0.005220 0.009290 0.005948 0.007500 0.001724 0Rh 5px 0.032648 -0.015744 -0.018987 -0.004539 -0.003029 0.020372 0Rh 5py 0.007913 -0.005395 -0.005518 0.005012 0.000913 -0.001974 0Rh 6pz 0.212704 0.019763 -0.099285 -0.028677 -0.043784 0.131424 0Rh 6px -0.624904 0.122238 0.170253 0.103394 0.067549 -0.257112 0Rh 6py -0.102056 0.047107 0.034734 0.038333 -0.013815 -0.026842 0Rh 1dz2 0.000162 0.013865 0.007371 0.002839 0.004645 0.002419 0Rh 1dxz 0.001931 0.017649 0.002392 0.000796 0.004954 0.005672 0Rh 1dyz 0.003247 0.003473 0.000286 0.009403 0.000426 -0.000661 0Rh 1dx2y2 -0.002321 -0.026986 -0.010310 -0.000625 -0.006955 -0.003427 0Rh 1dxy 0.000043 -0.011039 -0.002943 0.002438 -0.006284 -0.004506 0Rh 2dz2 0.000212 -0.000673 -0.000352 -0.000110 -0.000204 -0.000240 0Rh 2dxz -0.000034 -0.000782 -0.000121 -0.000022 -0.000273 -0.000189 0Rh 2dyz -0.000170 -0.000070 0.000008 -0.000564 -0.000175 0.000102 0Rh 2dx2y2 -0.000145 0.001309 0.000435 0.000006 0.000162 -0.000092 0Rh 2dxy -0.000015 0.000411 0.000155 0.000090 0.000459 0.000291 0Rh 3dz2 -0.001101 -0.021065 -0.011251 -0.004419 -0.007175 -0.003223 0Rh 3dxz -0.003167 -0.027164 -0.003585 -0.001283 -0.007413 -0.009030 0Rh 3dyz -0.004917 -0.005673 -0.000491 -0.013899 -0.000035 0.000724 0Rh 3dx2y2 0.004539 0.040967 0.015930 0.001058 0.011265 0.006245 0Rh 3dxy -0.000022 0.017321 0.004437 -0.004522 0.008983 0.006624 0Rh 4dz2 0.002427 -0.027758 -0.014889 -0.005311 -0.008931 -0.006355 0Rh 4dxz -0.003362 -0.034292 -0.004633 -0.001476 -0.010317 -0.010625 0Rh 4dyz -0.006297 -0.005792 -0.000586 -0.020067 -0.002625 0.002126 0Rh 4dx2y2 0.001923 0.054157 0.019967 0.001077 0.011833 0.003928 0Rh 4dxy -0.000047 0.020462 0.005867 -0.002447 0.014799 0.009953 0Rh 5dz2 -0.013964 -0.017223 -0.009636 -0.004837 -0.007735 0.003478 0Rh 5dxz -0.002859 -0.027303 -0.008587 -0.001218 -0.004374 -0.008038 0Rh 5dyz -0.008957 -0.009111 0.001212 -0.007383 0.006084 -0.003651 0Rh 5dx2y2 0.012531 0.033381 0.020066 -0.000148 0.016959 0.014422 0Rh 5dxy -0.001947 0.020522 0.006959 -0.014139 -0.005115 0.001700 0Rh 1f0 0.000436 -0.000163 -0.000530 0.000289 -0.000511 -0.000658 0Rh 1f+1 -0.000536 0.000030 0.000204 0.001158 0.000939 0.000469 0Rh 1f-1 -0.000778 0.000346 -0.000007 0.001175 -0.000988 -0.000146 0Rh 1f+2 0.000335 0.000294 0.001383 -0.000700 0.000619 -0.000706 0Rh 1f-2 -0.000326 0.000161 0.000512 0.001128 -0.000439 -0.001389 0Rh 1f+3 -0.000542 0.000236 -0.000093 0.000464 -0.000141 0.002143 0Rh 1f-3 -0.000576 0.000266 0.000025 0.000101 -0.000538 -0.001204 1Rh 1s 0.000806 -0.004432 -0.001893 -0.000834 -0.001354 -0.001452 1Rh 2s -0.004034 0.016735 0.006694 0.003165 0.004998 0.004898 1Rh 3s 0.002180 -0.015378 -0.006851 -0.002881 -0.004770 -0.005403 1Rh 4s 0.018103 -0.072997 -0.029024 -0.013820 -0.021768 -0.021078 1Rh 5s -0.022814 0.057941 0.019614 0.011040 0.016481 0.011521 1Rh 6s 0.000986 0.126232 0.063363 0.023990 0.040639 0.057315 1Rh 7s 0.233447 0.320943 -0.037779 0.016315 -0.050790 0.210866 1Rh 8s -2.293055 -0.956971 -0.166095 -0.155052 0.073336 -2.091081 1Rh 1pz -0.000986 -0.004046 -0.004656 0.000868 -0.001507 0.000325 1Rh 1px 0.002988 0.011609 0.005655 -0.000952 0.004747 -0.000969 1Rh 1py -0.000165 0.002031 0.001482 -0.000793 -0.001118 -0.001794 1Rh 2pz 0.003413 0.013872 0.015986 -0.002989 0.005206 -0.001112 1Rh 2px -0.010431 -0.039786 -0.019447 0.003272 -0.016238 0.003165 1Rh 2py 0.000498 -0.006992 -0.005107 0.002675 0.003858 0.006124 1Rh 3pz -0.003705 -0.012536 -0.014829 0.002985 -0.005422 0.001000 1Rh 3px 0.012929 0.035681 0.018686 -0.003147 0.013983 0.000087 1Rh 3py 0.000776 0.006843 0.005068 -0.001566 -0.003894 -0.005069 1Rh 4pz -0.001375 -0.015985 -0.017121 0.002079 -0.003401 0.001022 1Rh 4px -0.001279 0.046885 0.018031 -0.002962 0.021253 -0.014745 1Rh 4py -0.005126 0.006222 0.004271 -0.006495 -0.003280 -0.008531 1Rh 5pz -0.008843 -0.005129 -0.009326 0.005707 -0.007552 0.001146 1Rh 5px 0.033487 0.014759 0.018629 -0.003991 0.002582 0.020680 1Rh 5py 0.008155 0.005209 0.005131 0.005265 -0.000810 -0.001939 1Rh 6pz 0.214323 -0.024647 0.096330 -0.026265 0.039761 0.136028 1Rh 6px -0.630254 -0.103111 -0.163516 0.098392 -0.063215 -0.262701 1Rh 6py -0.105134 -0.045850 -0.034672 0.036517 0.014053 -0.027003 1Rh 1dz2 0.000270 0.013921 0.007447 -0.002533 0.004711 -0.002223 1Rh 1dxz -0.001290 0.017751 0.002470 -0.000671 0.005252 -0.005284 1Rh 1dyz -0.003050 0.003749 0.000547 -0.009398 -0.000083 0.000669 1Rh 1dx2y2 0.001340 -0.027123 -0.010450 0.000097 -0.007022 0.003060 1Rh 1dxy -0.000435 -0.010997 -0.002871 -0.002512 -0.006564 0.004211 1Rh 2dz2 -0.000237 -0.000669 -0.000356 0.000094 -0.000221 0.000230 1Rh 2dxz 0.000006 -0.000784 -0.000126 0.000022 -0.000289 0.000167 1Rh 2dyz 0.000170 -0.000086 -0.000007 0.000564 -0.000141 -0.000111 1Rh 2dx2y2 0.000195 0.001309 0.000433 0.000020 0.000154 0.000100 1Rh 2dxy 0.000026 0.000411 0.000157 -0.000085 0.000476 -0.000271 1Rh 3dz2 0.000461 -0.021176 -0.011364 0.003961 -0.007222 0.002925 1Rh 3dxz 0.002179 -0.027327 -0.003699 0.001072 -0.007867 0.008447 1Rh 3dyz 0.004578 -0.006086 -0.000882 0.013893 0.000705 -0.000703 1Rh 3dx2y2 -0.003059 0.041196 0.016180 -0.000255 0.011407 -0.005649 1Rh 3dxy 0.000651 0.017249 0.004303 0.004630 0.009397 -0.006194 1Rh 4dz2 -0.003335 -0.027771 -0.015036 0.004658 -0.009233 0.005961 1Rh 4dxz 0.002123 -0.034455 -0.004802 0.001307 -0.010934 0.009813 1Rh 4dyz 0.006018 -0.006354 -0.001132 0.020037 -0.001508 -0.002244 1Rh 4dx2y2 0.000083 0.054346 0.020136 -0.000016 0.011828 -0.003302 1Rh 4dxy 0.000724 0.020398 0.005788 0.002595 0.015392 -0.009283 1Rh 5dz2 0.013545 -0.017817 -0.009755 0.004671 -0.006995 -0.003738 1Rh 5dxz 0.001767 -0.027565 -0.008636 0.000525 -0.004533 0.007746 1Rh 5dyz 0.008151 -0.009567 0.001030 0.007602 0.006444 0.004065 1Rh 5dx2y2 -0.011482 0.033870 0.020663 0.000963 0.017568 -0.013573 1Rh 5dxy 0.002951 0.020366 0.006607 0.014417 -0.004860 -0.001776 1Rh 1f0 0.000422 0.000142 0.000490 0.000272 0.000519 -0.000638 1Rh 1f+1 -0.000513 -0.000022 -0.000230 0.001181 -0.000940 0.000407 1Rh 1f-1 -0.000778 -0.000313 -0.000026 0.001171 0.000998 -0.000098 1Rh 1f+2 0.000322 -0.000320 -0.001353 -0.000753 -0.000640 -0.000741 1Rh 1f-2 -0.000348 -0.000169 -0.000563 0.001081 0.000500 -0.001366 1Rh 1f+3 -0.000577 -0.000215 0.000077 0.000453 0.000082 0.002160 1Rh 1f-3 -0.000601 -0.000240 -0.000046 0.000091 0.000553 -0.001173 2C 1s 0.007182 0.010439 -0.005012 -0.007477 0.003023 -0.000003 2C 2s 0.015755 0.024100 -0.011259 -0.017082 0.006672 -0.000241 2C 3s -0.032176 -0.087100 0.027212 0.052363 -0.015575 0.006416 2C 4s -0.021119 0.211685 0.001454 -0.078444 0.012761 -0.028500 2C 5s -0.874125 -2.510688 0.589159 1.145891 -0.499193 0.041661 2C 1pz 0.023654 0.059351 -0.057750 -0.082706 -0.055789 0.042602 2C 1px -0.037443 0.008782 0.082094 0.100418 0.076662 0.031972 2C 1py 0.015547 0.024941 0.009621 0.007939 0.068128 -0.102071 2C 2pz 0.001496 0.006377 -0.011581 -0.021410 -0.010448 0.019123 2C 2px -0.022747 0.002395 0.020601 0.022597 0.021162 0.001115 2C 2py -0.002536 0.004439 0.008024 0.004495 0.017400 -0.025264 2C 3pz -0.182423 -0.207984 -0.203928 -0.256421 -0.537125 0.188789 2C 3px -0.001742 -0.082904 0.683191 0.849354 0.487039 0.477584 2C 3py -0.041617 -0.291240 0.127137 0.265341 0.309941 -0.632936 2C 1dz2 0.002276 0.002187 -0.001808 -0.002425 -0.000257 0.000863 2C 1dxz -0.001924 0.001815 0.006151 0.006352 0.004291 0.006402 2C 1dyz 0.001758 0.003908 -0.004857 -0.007279 -0.001525 -0.001503 2C 1dx2y2 -0.000683 -0.000604 -0.006611 -0.007652 -0.007407 -0.001360 2C 1dxy -0.001081 -0.000024 0.002948 0.003831 0.006519 -0.005278 2C 2dz2 -0.019415 -0.028694 0.008904 0.015167 -0.012785 0.012141 2C 2dxz -0.022264 -0.019808 0.029027 0.041985 0.005663 0.043173 2C 2dyz -0.009462 -0.045734 0.003068 0.011374 -0.028809 0.007293 2C 2dx2y2 0.021209 0.019617 -0.043186 -0.055769 -0.040982 0.014773 2C 2dxy 0.001039 -0.016745 0.025427 0.032343 0.037569 -0.037370 2C 1f0 0.001372 0.002582 -0.004394 -0.005675 -0.005683 0.003951 2C 1f+1 0.000325 -0.001187 0.000775 0.000724 0.000839 -0.002995 2C 1f-1 -0.001754 -0.001047 0.002896 0.003905 0.002224 -0.000493 2C 1f+2 -0.002384 -0.004385 0.002960 0.005154 0.001903 0.001170 2C 1f-2 0.000178 0.005064 -0.000385 -0.001492 0.000470 0.002225 2C 1f+3 -0.002899 -0.006586 0.001374 0.003192 -0.003737 0.005016 2C 1f-3 0.001350 -0.001421 -0.001682 -0.002290 -0.002545 -0.001317 3C 1s 0.003320 0.011456 -0.002229 0.001262 -0.000016 -0.008049 3C 2s 0.007332 0.026273 -0.004938 0.002742 0.000165 -0.018494 3C 3s -0.014651 -0.090315 0.011669 -0.003789 -0.008384 0.061415 3C 4s -0.019933 0.202475 0.017499 -0.024312 0.049537 -0.131365 3C 5s -0.466059 -2.582663 -0.021461 -0.146951 -0.255693 1.248109 3C 1pz 0.053314 0.016238 -0.096421 0.092876 0.008908 -0.000900 3C 1px -0.111981 0.057654 0.071716 -0.034793 -0.121366 0.020427 3C 1py -0.037085 -0.042721 0.003161 0.018150 -0.066416 0.052072 3C 2pz -0.003581 0.001315 -0.013817 0.006990 0.003238 -0.014688 3C 2px -0.032251 0.008811 0.019557 -0.009194 -0.030466 -0.010209 3C 2py 0.006435 -0.006765 -0.001681 0.025898 -0.024584 0.036460 3C 3pz 0.231025 -0.312898 -0.707750 0.605736 0.103658 0.075501 3C 3px -0.572808 0.138151 0.536239 -0.319090 -0.893324 0.613682 3C 3py -0.062330 0.386112 0.018458 0.151654 -0.363629 -0.021234 3C 1dz2 0.001629 -0.001161 0.000470 -0.001438 0.002289 0.000295 3C 1dxz -0.008021 0.004386 0.008113 -0.003451 -0.011712 0.005192 3C 1dyz -0.005344 -0.002122 0.007065 -0.004609 -0.003724 0.006366 3C 1dx2y2 -0.000365 -0.003083 -0.003240 0.003495 -0.001176 0.002878 3C 1dxy 0.002992 -0.002876 -0.004156 0.002600 0.000525 0.003276 3C 2dz2 0.008026 0.007461 0.003999 -0.005374 0.019655 -0.014484 3C 2dxz -0.067933 0.002829 0.037663 -0.016795 -0.069940 0.027601 3C 2dyz -0.017272 0.051893 0.026061 -0.024809 -0.010279 -0.031623 3C 2dx2y2 0.019909 0.031868 -0.034114 0.041340 -0.014623 0.000530 3C 2dxy 0.014032 0.027540 -0.028324 0.030309 0.002927 -0.017247 3C 1f0 0.001828 0.004627 -0.004330 0.005234 -0.001577 -0.001148 3C 1f+1 0.005421 -0.000336 -0.004101 0.003339 0.003970 -0.000396 3C 1f-1 0.001820 0.003571 0.000627 -0.001710 0.003118 -0.003691 3C 1f+2 0.000785 -0.007178 0.000136 0.000426 0.000242 0.003850 3C 1f-2 -0.002785 -0.002956 0.001946 -0.001380 -0.002674 0.001954 3C 1f+3 -0.003813 -0.000555 0.000821 0.000946 -0.005134 0.003438 3C 1f-3 -0.005111 0.003728 0.003491 -0.002437 -0.004730 -0.001061 4C 1s 0.000678 -0.003858 -0.002019 0.000228 -0.002887 0.000627 4C 2s 0.001695 -0.008551 -0.005300 -0.000106 -0.006299 0.001065 4C 3s -0.014582 0.007313 0.025062 0.011919 0.008871 0.001437 4C 4s 0.067312 0.139380 -0.081964 -0.106688 0.039035 -0.051287 4C 5s 0.340872 0.957010 0.308658 0.044425 0.089945 0.270905 4C 1pz -0.013130 -0.025911 0.004140 0.007345 -0.005273 -0.024057 4C 1px -0.019266 -0.004068 0.021313 0.023509 0.017354 -0.000698 4C 1py -0.012367 -0.010129 0.019873 0.022185 -0.014373 0.026028 4C 2pz -0.050908 -0.088379 0.040228 0.071965 -0.022197 0.009860 4C 2px -0.015130 -0.001980 0.018137 -0.001131 -0.002555 0.017758 4C 2py -0.016726 -0.049583 0.046100 0.071781 -0.017928 0.011991 4C 3pz -0.093661 -0.420408 0.205676 0.241090 -0.109046 -0.190958 4C 3px -0.325904 0.041257 -0.062608 -0.178624 -0.082985 -0.307753 4C 3py -0.251723 -0.194848 0.090400 -0.016286 -0.273057 0.177998 4C 1dz2 -0.000866 0.001154 0.002769 0.002179 0.003985 -0.002194 4C 1dxz 0.001509 0.000006 -0.002244 -0.003716 -0.003722 -0.000763 4C 1dyz 0.000987 0.004752 -0.003233 -0.004849 -0.000381 -0.000213 4C 1dx2y2 0.001029 0.000887 -0.004068 -0.003796 -0.000511 -0.002114 4C 1dxy 0.002248 0.002071 -0.005067 -0.005668 -0.001777 -0.003379 4C 2dz2 -0.006198 0.013847 -0.003186 0.003618 0.014506 -0.014589 4C 2dxz 0.011631 0.002827 -0.018215 -0.026564 -0.013997 -0.009510 4C 2dyz 0.003418 0.023486 -0.009912 -0.016310 -0.001478 -0.016156 4C 2dx2y2 0.004274 -0.000137 0.012623 0.007330 -0.000216 0.002682 4C 2dxy 0.012172 0.012117 -0.016443 -0.026179 -0.024484 0.015020 4C 1f0 -0.000543 -0.001122 -0.001735 -0.001747 -0.002631 0.001241 4C 1f+1 -0.000959 -0.002965 0.001423 0.002236 0.000531 -0.000944 4C 1f-1 -0.000555 -0.000863 0.000274 0.000351 -0.000276 -0.000052 4C 1f+2 0.000713 0.002481 0.000925 0.000934 0.000882 0.002434 4C 1f-2 -0.000616 0.000282 0.000886 0.000798 -0.000184 0.002616 4C 1f+3 0.000189 0.000233 0.001314 0.001493 0.001531 -0.000671 4C 1f-3 -0.001188 -0.002509 -0.000397 0.000958 -0.000525 0.000682 5C 1s -0.000067 -0.004614 -0.001856 -0.000469 0.000178 0.001724 5C 2s 0.000115 -0.010231 -0.004846 -0.000723 0.000433 0.003344 5C 3s -0.007110 0.008138 0.018682 -0.007369 0.000200 0.002625 5C 4s 0.064811 0.151474 -0.078256 0.091088 0.020780 -0.080797 5C 5s 0.112533 1.025469 0.529153 -0.061047 -0.078739 0.022536 5C 1pz 0.005335 -0.015664 0.015257 -0.010677 0.015448 0.016832 5C 1px -0.019588 -0.006900 0.023524 -0.002147 -0.018430 0.026671 5C 1py -0.000744 0.027362 0.015921 -0.012492 -0.003347 -0.026189 5C 2pz -0.028344 -0.041042 0.025517 0.002562 -0.021707 0.067986 5C 2px 0.004131 -0.050148 0.031116 0.001090 0.045348 0.047384 5C 2py 0.032002 0.080974 -0.022393 0.033663 0.013971 -0.077573 5C 3pz -0.017176 -0.223474 0.109456 -0.246171 -0.006983 0.140224 5C 3px -0.104777 -0.274597 -0.079056 0.106285 0.360160 -0.237068 5C 3py 0.049952 0.400108 0.194271 -0.165936 0.095998 -0.301842 5C 1dz2 -0.002090 -0.001404 0.005265 -0.003225 -0.001357 0.003186 5C 1dxz 0.000690 -0.000204 0.000479 -0.000480 0.001533 0.000267 5C 1dyz 0.000351 -0.004711 0.001248 -0.000696 -0.000415 0.003716 5C 1dx2y2 0.003274 -0.001043 -0.003359 0.000682 0.003310 -0.002193 5C 1dxy -0.005494 -0.000246 0.004721 -0.001666 -0.006850 0.004029 5C 2dz2 -0.021965 -0.003117 0.002931 -0.004777 -0.018443 0.003158 5C 2dxz 0.034422 -0.008566 -0.014474 0.014164 0.031091 0.000835 5C 2dyz 0.007870 -0.030813 0.003881 -0.009188 0.009887 0.009158 5C 2dx2y2 0.005971 -0.017055 0.012206 -0.015103 0.024361 -0.009984 5C 2dxy -0.044753 0.006959 0.027272 -0.024487 -0.038108 -0.007866 5C 1f0 0.001155 -0.001416 -0.000646 0.000390 0.000928 0.000829 5C 1f+1 0.000407 -0.001783 -0.000366 -0.000787 -0.000656 0.000640 5C 1f-1 0.000149 -0.000086 0.002203 -0.002242 0.001628 -0.000576 5C 1f+2 -0.001068 0.001000 0.000924 0.000833 -0.001826 0.000905 5C 1f-2 -0.000640 0.003057 0.000824 -0.000654 -0.001158 -0.001008 5C 1f+3 -0.001902 -0.002113 0.001066 -0.001238 -0.002792 0.002607 5C 1f-3 -0.000596 0.003139 0.002471 -0.001677 -0.000697 -0.000152 6C 1s -0.000125 -0.004627 -0.001919 0.000344 0.000234 -0.001647 6C 2s -0.000554 -0.010249 -0.004969 0.000422 0.000546 -0.003185 6C 3s 0.007572 0.007916 0.018425 0.007988 0.000235 -0.002582 6C 4s -0.060565 0.154165 -0.073070 -0.091035 0.018693 0.079185 6C 5s -0.071863 1.028470 0.532158 0.095676 -0.080922 -0.032682 6C 1pz 0.005646 0.015636 -0.013932 -0.010108 -0.015211 0.014672 6C 1px -0.019557 0.007721 -0.023064 -0.003319 0.016923 0.027196 6C 1py -0.001828 -0.027308 -0.015256 -0.013117 0.004150 -0.026310 6C 2pz -0.028612 0.042373 -0.024250 0.002301 0.020051 0.066813 6C 2px 0.008179 0.049711 -0.030476 0.000536 -0.045157 0.045424 6C 2py 0.030835 -0.082493 0.019912 0.032786 -0.011786 -0.076803 6C 3pz -0.016195 0.227614 -0.094826 -0.237973 0.001845 0.129303 6C 3px -0.082029 0.274662 0.082935 0.118791 -0.341169 -0.253904 6C 3py 0.041542 -0.402154 -0.187069 -0.174909 -0.083853 -0.303841 6C 1dz2 0.002130 -0.001515 0.005089 0.003362 -0.001267 -0.003141 6C 1dxz -0.000710 -0.000180 0.000432 0.000419 0.001490 -0.000170 6C 1dyz -0.000448 -0.004697 0.001205 0.000681 -0.000402 -0.003717 6C 1dx2y2 -0.003406 -0.000922 -0.003345 -0.000911 0.003114 0.002350 6C 1dxy 0.005594 -0.000492 0.004630 0.001989 -0.006475 -0.004351 6C 2dz2 0.022102 -0.003971 0.002662 0.005107 -0.017624 -0.003858 6C 2dxz -0.035832 -0.007225 -0.013784 -0.015120 0.030061 0.000226 6C 2dyz -0.009207 -0.030496 0.003456 0.008777 0.009572 -0.008632 6C 2dx2y2 -0.006744 -0.016817 0.011407 0.014509 0.022851 0.011443 6C 2dxy 0.046546 0.005246 0.025963 0.025679 -0.037343 0.006685 6C 1f0 0.001262 0.001369 0.000635 0.000434 -0.000951 0.000800 6C 1f+1 0.000446 0.001769 0.000397 -0.000735 0.000612 0.000658 6C 1f-1 0.000178 0.000094 -0.002074 -0.002228 -0.001570 -0.000708 6C 1f+2 -0.001120 -0.000942 -0.000987 0.000683 0.001732 0.001024 6C 1f-2 -0.000832 -0.003014 -0.000787 -0.000684 0.001141 -0.000996 6C 1f+3 -0.001849 0.002201 -0.001021 -0.001305 0.002574 0.002704 6C 1f-3 -0.000732 -0.003095 -0.002437 -0.001820 0.000619 -0.000109 7C 1s -0.000815 -0.003817 -0.001976 -0.000292 -0.002803 -0.000719 7C 2s -0.002015 -0.008456 -0.005228 -0.000064 -0.006120 -0.001273 7C 3s 0.015015 0.006891 0.025480 -0.011144 0.008716 -0.000752 7C 4s -0.063690 0.140315 -0.087103 0.104661 0.036108 0.049394 7C 5s -0.298926 0.966061 0.308993 -0.033577 0.094417 -0.275155 7C 1pz -0.012038 0.026299 -0.004871 0.007709 0.006151 -0.023993 7C 1px -0.018880 0.004367 -0.021973 0.022978 -0.016788 -0.000795 7C 1py -0.012700 0.010574 -0.020292 0.020736 0.013395 0.025763 7C 2pz -0.048345 0.089728 -0.042981 0.069910 0.022391 0.009754 7C 2px -0.014707 0.002407 -0.018320 -0.000931 0.001637 0.018131 7C 2py -0.016288 0.049931 -0.049027 0.070377 0.017284 0.011013 7C 3pz -0.078900 0.421530 -0.216438 0.235262 0.119069 -0.189390 7C 3px -0.325435 -0.029518 0.072865 -0.171837 0.085196 -0.307242 7C 3py -0.249995 0.206283 -0.084682 -0.028176 0.265483 0.184458 7C 1dz2 0.000846 0.001151 0.002822 -0.002135 0.003796 0.002305 7C 1dxz -0.001486 -0.000008 -0.002278 0.003579 -0.003584 0.000699 7C 1dyz -0.000848 0.004765 -0.003443 0.004823 -0.000319 0.000171 7C 1dx2y2 -0.001057 0.000890 -0.004154 0.003598 -0.000515 0.002019 7C 1dxy -0.002239 0.002111 -0.005259 0.005498 -0.001827 0.003346 7C 2dz2 0.006493 0.013610 -0.003178 -0.003775 0.013421 0.014601 7C 2dxz -0.011938 0.002838 -0.018426 0.025027 -0.013602 0.009037 7C 2dyz -0.002799 0.023529 -0.010688 0.016093 -0.002235 0.015614 7C 2dx2y2 -0.004191 -0.000039 0.012683 -0.006970 -0.000106 -0.002499 7C 2dxy -0.011305 0.012016 -0.016866 0.025440 -0.022979 -0.015779 7C 1f0 -0.000540 0.001172 0.001775 -0.001727 0.002482 0.001297 7C 1f+1 -0.000837 0.002957 -0.001489 0.002196 -0.000428 -0.000986 7C 1f-1 -0.000515 0.000874 -0.000248 0.000281 0.000313 -0.000043 7C 1f+2 0.000600 -0.002510 -0.000879 0.000788 -0.000894 0.002426 7C 1f-2 -0.000640 -0.000266 -0.000909 0.000742 0.000113 0.002653 7C 1f+3 0.000170 -0.000266 -0.001402 0.001510 -0.001487 -0.000705 7C 1f-3 -0.001094 0.002543 0.000361 0.000942 0.000536 0.000707 8C 1s -0.002958 0.011661 -0.002036 -0.001198 -0.000234 0.007921 8C 2s -0.006502 0.026733 -0.004508 -0.002601 -0.000351 0.018213 8C 3s 0.011779 -0.091475 0.010742 0.003564 -0.006358 -0.061087 8C 4s 0.026836 0.202799 0.016915 0.024671 0.043818 0.133141 8C 5s 0.387210 -2.609761 -0.046646 0.117692 -0.214156 -1.237810 8C 1pz 0.053657 -0.019021 0.090948 0.093834 -0.008455 0.001383 8C 1px -0.116001 -0.053201 -0.070770 -0.041445 0.115297 0.026447 8C 1py -0.036754 0.044133 -0.004573 0.015561 0.063140 0.056436 8C 2pz -0.003873 -0.001482 0.013486 0.007551 -0.002412 -0.014712 8C 2px -0.032750 -0.007728 -0.018801 -0.010562 0.029583 -0.008458 8C 2py 0.006829 0.006758 0.000533 0.024641 0.022922 0.038405 8C 3pz 0.248153 0.297619 0.675312 0.623423 -0.101827 0.086541 8C 3px -0.596306 -0.111043 -0.531662 -0.363514 0.836007 0.653697 8C 3py -0.080299 -0.385495 -0.037904 0.126748 0.351317 0.012895 8C 1dz2 -0.001567 -0.001091 0.000459 0.001399 0.002052 -0.000174 8C 1dxz 0.008314 0.004023 0.007978 0.004045 -0.011051 -0.005814 8C 1dyz 0.005397 -0.002372 0.006816 0.004860 -0.003455 -0.006414 8C 1dx2y2 0.000183 -0.003077 -0.003119 -0.003525 -0.000929 -0.002943 8C 1dxy -0.003152 -0.002780 -0.004104 -0.002832 0.000659 -0.003244 8C 2dz2 -0.007097 0.008067 0.004080 0.005061 0.017763 0.015658 8C 2dxz 0.069287 0.000077 0.036326 0.019375 -0.066666 -0.031085 8C 2dyz 0.019863 0.051312 0.025202 0.025772 -0.010815 0.031153 8C 2dx2y2 -0.019626 0.032584 -0.031628 -0.040440 -0.013288 -0.002258 8C 2dxy -0.014229 0.028237 -0.027096 -0.030677 0.002803 0.016341 8C 1f0 0.001834 -0.004737 0.004076 0.005183 0.001424 -0.000941 8C 1f+1 0.005515 0.000275 0.003857 0.003445 -0.003822 -0.000471 8C 1f-1 0.001695 -0.003620 -0.000594 -0.001644 -0.002901 -0.003860 8C 1f+2 0.001051 0.007142 -0.000141 0.000447 -0.000344 0.003768 8C 1f-2 -0.002744 0.003204 -0.001851 -0.001438 0.002544 0.002147 8C 1f+3 -0.003779 0.000794 -0.000818 0.000772 0.004776 0.003758 8C 1f-3 -0.005406 -0.003475 -0.003397 -0.002672 0.004630 -0.000782 9C 1s -0.006931 0.010634 -0.005387 0.007374 0.003001 0.000017 9C 2s -0.015167 0.024527 -0.012112 0.016856 0.006622 0.000265 9C 3s 0.029801 -0.087979 0.029757 -0.052108 -0.015510 -0.006419 9C 4s 0.028328 0.211182 -0.002234 0.080314 0.013301 0.028821 9C 5s 0.796433 -2.535302 0.639987 -1.134866 -0.501185 -0.043897 9C 1pz 0.021099 -0.059053 0.061197 -0.082960 0.052734 0.044722 9C 1px -0.038018 -0.008894 -0.083405 0.095670 -0.073823 0.030624 9C 1py 0.016412 -0.026288 -0.010626 0.010527 -0.063527 -0.103675 9C 2pz 0.001485 -0.006249 0.012789 -0.022066 0.009303 0.018926 9C 2px -0.022691 -0.001826 -0.020527 0.021187 -0.020252 0.000586 9C 2py -0.002700 -0.004653 -0.008157 0.004583 -0.016763 -0.026647 9C 3pz -0.182125 0.218473 0.215733 -0.261966 0.517440 0.200923 9C 3px -0.001958 0.071735 -0.705723 0.815865 -0.474050 0.470526 9C 3py -0.018968 0.287079 -0.143825 0.277935 -0.278009 -0.637901 9C 1dz2 -0.002184 0.002212 -0.001909 0.002410 -0.000213 -0.000823 9C 1dxz 0.002075 0.001803 0.006391 -0.006188 0.004457 -0.006346 9C 1dyz -0.001629 0.003918 -0.005084 0.007072 -0.001442 0.001328 9C 1dx2y2 0.000730 -0.000712 -0.006828 0.007484 -0.007259 0.000973 9C 1dxy 0.000946 0.000036 0.002811 -0.003573 0.005919 0.005481 9C 2dz2 0.018519 -0.029018 0.009279 -0.014340 -0.012070 -0.011709 9C 2dxz 0.022482 -0.020151 0.030319 -0.040111 0.006991 -0.042702 9C 2dyz 0.008577 -0.046289 0.004177 -0.011707 -0.028125 -0.008509 9C 2dx2y2 -0.020157 0.019887 -0.045011 0.054944 -0.039850 -0.018106 9C 2dxy -0.002785 -0.016103 0.025759 -0.031647 0.033984 0.038265 9C 1f0 0.001194 -0.002568 0.004572 -0.005659 0.005385 0.004240 9C 1f+1 0.000472 0.001085 -0.000702 0.000631 -0.000584 -0.002960 9C 1f-1 -0.001700 0.001125 -0.003009 0.003812 -0.002115 -0.000667 9C 1f+2 -0.002277 0.004611 -0.003134 0.005105 -0.001802 0.001027 9C 1f-2 -0.000066 -0.004940 0.000412 -0.001473 -0.000597 0.002233 9C 1f+3 -0.002824 0.006583 -0.001555 0.003107 0.003424 0.005137 9C 1f-3 0.001309 0.001684 0.001638 -0.002039 0.002651 -0.001066 10H 1s 0.004481 0.001062 -0.023629 -0.027446 -0.020106 -0.012171 10H 2s -0.083707 -0.083098 0.060447 0.106042 0.042799 -0.018677 10H 3s 0.447618 0.758012 -1.263016 -1.706677 -0.855046 -0.495642 10H 1pz -0.010290 -0.011082 0.014873 0.020928 0.008248 0.005577 10H 1px 0.013247 0.017079 -0.023473 -0.033055 -0.016517 -0.005106 10H 1py -0.003981 -0.004974 0.005676 0.008819 0.006038 -0.003631 11H 1s -0.000537 0.002673 0.005877 0.006057 0.000141 0.014638 11H 2s 0.021446 -0.057805 0.031676 0.033206 0.032836 -0.088557 11H 3s 0.061661 0.785545 0.092414 -0.060662 -0.092996 1.064832 11H 1pz -0.000360 -0.012076 -0.001968 -0.000684 -0.001980 -0.015204 11H 1px 0.000599 -0.012806 0.005335 0.008539 0.006699 -0.015096 11H 1py -0.000197 0.008640 0.001678 0.000739 -0.000336 0.012237 12H 1s -0.000131 -0.000458 0.013209 0.016663 0.017737 -0.004512 12H 2s -0.006938 -0.047771 -0.030649 -0.022965 -0.114703 0.136227 12H 3s 0.191045 0.539789 0.503631 0.550741 1.221554 -0.838826 12H 1pz 0.000988 0.002269 0.001891 0.002418 0.005387 -0.006887 12H 1px -0.001195 -0.005591 -0.000260 0.000366 -0.010773 0.015493 12H 1py -0.003849 -0.013451 -0.012583 -0.012403 -0.028972 0.018974 13H 1s 0.019852 -0.006033 -0.025800 0.012822 0.023960 -0.014326 13H 2s -0.155281 -0.033325 0.083163 -0.087218 -0.079702 -0.014126 13H 3s 1.312236 0.276163 -1.365235 0.946299 1.318353 -0.841645 13H 1pz -0.025385 -0.005937 0.018948 -0.013442 -0.022416 0.010795 13H 1px 0.024245 0.005140 -0.022168 0.017162 0.018758 -0.007908 13H 1py 0.013311 0.004041 -0.011374 0.008798 0.008504 -0.004987 14H 1s -0.010943 0.004992 0.008205 -0.000197 -0.021111 0.013911 14H 2s 0.086852 -0.101686 0.031274 -0.049971 0.103025 0.037199 14H 3s -0.626037 0.988827 0.140312 0.200388 -1.178281 0.212297 14H 1pz 0.011838 -0.015190 -0.006709 0.000551 0.018246 -0.002418 14H 1px 0.014491 -0.022398 0.002783 -0.008447 0.023658 0.002039 14H 1py 0.002710 -0.003202 0.000156 -0.000985 0.004041 -0.002304 15H 1s -0.004974 0.003177 0.011044 -0.009450 0.000105 0.001284 15H 2s 0.020223 -0.062492 -0.059126 0.093931 -0.046672 0.101040 15H 3s -0.203119 0.793766 0.805398 -0.840471 0.224352 -0.515683 15H 1pz -0.002522 0.012586 0.011080 -0.014347 0.006334 -0.011501 15H 1px -0.002548 -0.002309 0.001606 0.001599 -0.007984 0.009081 15H 1py -0.005914 0.016828 0.015409 -0.016534 0.002170 -0.013398 16H 1s -0.027215 0.009480 0.015033 0.007465 -0.001861 -0.013809 16H 2s -0.035737 -0.006049 0.041394 0.016431 -0.002536 -0.002641 16H 3s -0.831686 0.288632 0.389906 0.198241 -0.075455 -0.490304 16H 1pz 0.021225 -0.008470 -0.010095 -0.005960 0.001468 0.012259 16H 1px -0.002416 0.002005 0.000397 0.000235 -0.000490 -0.001633 16H 1py 0.010575 -0.003233 -0.005805 -0.003671 0.001275 0.004848 17H 1s 0.002411 0.008487 -0.010636 -0.008478 0.005820 -0.009801 17H 2s 0.012145 -0.003032 -0.008189 -0.000631 0.019051 0.002526 17H 3s 0.035462 0.260978 -0.346055 -0.305857 0.101201 -0.392358 17H 1pz 0.001410 0.004264 -0.005309 -0.004940 0.001433 -0.006043 17H 1px 0.001629 0.006240 -0.007300 -0.006293 0.001755 -0.006428 17H 1py -0.003305 -0.003697 0.007139 0.006007 -0.001707 0.005479 18H 1s -0.002073 0.008494 -0.011134 0.008015 0.005686 0.010172 18H 2s -0.011753 -0.002341 -0.008189 0.000026 0.019045 -0.000541 18H 3s -0.024484 0.259736 -0.363575 0.292592 0.093809 0.399124 18H 1pz 0.001334 -0.004334 0.005761 -0.004876 -0.001412 -0.006200 18H 1px 0.001441 -0.006222 0.007681 -0.006029 -0.001698 -0.006475 18H 1py -0.003111 0.003595 -0.007245 0.005541 0.001616 0.005375 19H 1s 0.027464 0.008686 0.015049 -0.006812 -0.002381 0.013543 19H 2s 0.035879 -0.006728 0.041578 -0.015074 -0.002597 0.002712 19H 3s 0.839659 0.264429 0.388886 -0.180175 -0.096154 0.482571 19H 1pz 0.021164 0.007751 0.009989 -0.005403 -0.001948 0.011924 19H 1px -0.002641 -0.001986 -0.000483 0.000237 0.000564 -0.001666 19H 1py 0.011090 0.003072 0.006075 -0.003537 -0.001533 0.004975 20H 1s 0.005221 0.002915 0.010612 0.009683 0.000023 -0.001016 20H 2s -0.023412 -0.061991 -0.054160 -0.091843 -0.042584 -0.105459 20H 3s 0.240050 0.784188 0.764049 0.849451 0.197567 0.548135 20H 1pz -0.003141 -0.012520 -0.010378 -0.014275 -0.005723 -0.012172 20H 1px -0.002456 0.002597 -0.001617 0.001391 0.007394 0.009688 20H 1py -0.006728 -0.016561 -0.014643 -0.016683 -0.001642 -0.013743 21H 1s 0.011284 0.004534 0.008296 0.001198 -0.019650 -0.015055 21H 2s -0.091220 -0.098577 0.028569 0.045510 0.099727 -0.029917 21H 3s 0.669869 0.966121 0.163404 -0.142665 -1.114580 -0.290009 21H 1pz 0.012662 0.014842 0.006799 0.001493 -0.017512 -0.003487 21H 1px 0.015343 0.021829 -0.002217 -0.007380 -0.022467 0.000429 21H 1py 0.002902 0.003156 -0.000095 -0.000850 -0.003825 -0.002525 22H 1s -0.020441 -0.005110 -0.025332 -0.014350 0.022600 0.015421 22H 2s 0.157501 -0.039253 0.077339 0.089245 -0.077721 0.012297 22H 3s -1.333992 0.337586 -1.318879 -1.011299 1.245069 0.889580 22H 1pz -0.025557 0.006962 -0.018076 -0.014244 0.021129 0.011610 22H 1px 0.024733 -0.006240 0.021295 0.018094 -0.017990 -0.008536 22H 1py 0.013595 -0.004651 0.010948 0.009286 -0.008194 -0.005196 23H 1s -0.000214 -0.000201 0.013518 -0.016195 0.016799 0.005092 23H 2s 0.007733 -0.048934 -0.031021 0.025067 -0.107771 -0.140148 23H 3s -0.197206 0.560382 0.510782 -0.543886 1.152239 0.875096 23H 1pz 0.001073 -0.002437 -0.001972 0.002463 -0.005088 -0.007208 23H 1px -0.001268 0.005543 -0.000042 0.000355 0.009591 0.015542 23H 1py -0.003926 0.013948 0.012751 -0.012311 0.027587 0.020040 24H 1s 0.000872 0.002665 0.006128 -0.005718 0.000695 -0.014727 24H 2s -0.024793 -0.056814 0.035103 -0.037274 0.029207 0.089677 24H 3s -0.019018 0.786079 0.080720 0.090735 -0.050253 -1.070156 24H 1pz 0.000240 0.012032 0.001808 -0.000181 0.002488 -0.015147 24H 1px 0.001319 0.012865 -0.005811 0.008931 -0.005873 -0.015593 24H 1py -0.000621 -0.008458 -0.001585 0.000365 -0.000111 0.012048 25H 1s -0.004478 0.000896 -0.024407 0.026607 -0.019755 0.011650 25H 2s 0.081263 -0.084553 0.062526 -0.102953 0.040680 0.022271 25H 3s -0.425917 0.755424 -1.314890 1.662051 -0.833541 0.462327 25H 1pz -0.010117 0.011318 -0.015581 0.020492 -0.008169 0.005164 25H 1px 0.012731 -0.017146 0.024363 -0.032145 0.016003 -0.004252 25H 1py -0.003596 0.004794 -0.005636 0.008283 -0.005468 -0.003911 26O 1s -0.002654 -0.008997 0.003085 0.005196 -0.001241 0.003169 26O 2s -0.006326 -0.022247 0.007761 0.012676 -0.003102 0.007948 26O 3s 0.009234 0.042039 -0.016105 -0.021343 0.006457 -0.015353 26O 4s 0.021543 0.043822 -0.003654 -0.035946 0.000421 -0.016568 26O 5s 0.036558 0.117134 -0.129443 -0.014886 0.138215 -0.086505 26O 1pz 0.010303 0.058313 0.019400 0.000239 0.017398 0.018442 26O 1px -0.010527 -0.015337 0.019235 0.030894 0.015205 0.008452 26O 1py 0.008101 0.031098 0.012019 0.002918 0.022338 -0.025938 26O 2pz 0.006662 0.049878 0.019756 0.001696 0.017488 0.011914 26O 2px 0.005030 -0.012731 0.017073 0.022141 0.012643 0.021062 26O 2py 0.008334 0.027621 0.010969 0.000322 0.017972 -0.016493 26O 3pz 0.000589 0.108185 0.017929 -0.008261 0.024658 0.051481 26O 3px -0.061765 0.007764 0.049972 0.025955 -0.059354 -0.017689 26O 3py -0.004522 0.064049 0.035979 0.015512 0.028474 -0.073732 26O 1dz2 0.000445 -0.000572 -0.000468 0.000040 0.000063 -0.000154 26O 1dxz -0.000128 0.000121 0.000277 0.000333 0.000436 0.000663 26O 1dyz -0.000262 -0.000315 -0.000203 0.000122 0.000051 0.000238 26O 1dx2y2 -0.000522 0.000632 0.000245 -0.000094 -0.000674 -0.000190 26O 1dxy -0.000778 0.000325 0.000633 0.000349 0.000461 -0.000630 26O 2dz2 0.001800 -0.001010 -0.002305 -0.002868 -0.000409 -0.001868 26O 2dxz -0.000290 0.000086 0.002401 0.003295 0.002825 0.001167 26O 2dyz 0.000005 0.002801 -0.004230 -0.005661 -0.001013 -0.001701 26O 2dx2y2 -0.002760 0.002471 0.001562 0.001524 0.004120 -0.002133 26O 2dxy -0.002528 0.002179 0.000805 0.000496 0.004793 -0.002494 26O 1f0 -0.000205 -0.000146 0.000040 0.000113 0.000008 0.000345 26O 1f+1 -0.000082 0.000374 0.000055 -0.000217 -0.000073 0.000158 26O 1f-1 0.000050 0.000137 0.000034 -0.000140 0.000114 0.000064 26O 1f+2 0.000099 0.000085 -0.000288 -0.000281 -0.000128 0.000068 26O 1f-2 0.000189 0.000287 0.000134 -0.000123 0.000050 -0.000112 26O 1f+3 0.000061 0.000365 0.000067 -0.000196 -0.000007 0.000077 26O 1f-3 -0.000184 0.000085 -0.000007 -0.000143 0.000186 -0.000332 27O 1s 0.000793 -0.010474 0.001108 0.002099 -0.003294 0.009624 27O 2s 0.002472 -0.026123 0.002729 0.005399 -0.007642 0.024047 27O 3s -0.011353 0.052351 -0.003944 -0.013445 0.007883 -0.048575 27O 4s 0.030312 0.031483 -0.013052 0.012255 0.053801 -0.022705 27O 5s -0.165432 0.300703 -0.031419 -0.124415 -0.233920 -0.242233 27O 1pz 0.012976 0.035164 -0.009185 0.028105 0.013302 -0.005797 27O 1px -0.035704 0.011507 0.022523 -0.013636 -0.028836 0.001725 27O 1py -0.007982 -0.052972 -0.027269 0.019960 -0.008800 -0.002467 27O 2pz 0.005619 0.031754 -0.004388 0.021174 0.009404 -0.010846 27O 2px -0.014797 0.004463 0.025774 -0.013616 -0.008507 0.005081 27O 2py -0.008947 -0.047611 -0.023914 0.018807 -0.009361 -0.001148 27O 3pz -0.017963 0.063538 -0.007107 0.037759 -0.014750 -0.012740 27O 3px -0.039589 -0.017736 0.021013 0.022298 0.039332 0.034751 27O 3py 0.041139 -0.081005 -0.081047 0.036769 -0.023897 0.040639 27O 1dz2 0.000257 0.000028 -0.000020 -0.000438 -0.000044 -0.000440 27O 1dxz -0.000754 0.000227 0.000055 -0.000261 -0.001059 -0.000289 27O 1dyz -0.000066 0.000262 0.000603 -0.000199 0.000350 -0.000179 27O 1dx2y2 0.000362 0.000246 0.000063 0.000510 0.001024 0.000508 27O 1dxy 0.000986 -0.000244 -0.000891 0.000151 0.000398 0.000462 27O 2dz2 0.003234 -0.004727 -0.000130 -0.000157 0.005433 0.002545 27O 2dxz 0.001199 -0.001391 -0.000975 0.001523 0.000467 0.001226 27O 2dyz -0.001218 -0.001330 0.004930 -0.002458 -0.001845 0.007105 27O 2dx2y2 -0.002351 0.004355 0.000600 -0.002028 -0.003356 -0.001941 27O 2dxy 0.003070 -0.004089 -0.001659 0.000855 0.004012 0.001002 27O 1f0 -0.000101 -0.000244 -0.000073 0.000089 -0.000158 0.000158 27O 1f+1 -0.000096 0.000197 -0.000222 0.000208 -0.000200 -0.000237 27O 1f-1 0.000136 -0.000025 0.000022 -0.000067 0.000268 -0.000036 27O 1f+2 0.000119 0.000144 -0.000057 -0.000083 0.000260 -0.000013 27O 1f-2 0.000066 -0.000156 -0.000230 0.000021 0.000016 -0.000143 27O 1f+3 0.000135 0.000496 -0.000051 0.000107 0.000263 -0.000426 27O 1f-3 0.000120 0.000147 -0.000226 0.000206 0.000346 0.000023 28O 1s -0.002548 -0.010462 -0.002732 0.000310 -0.003743 -0.005591 28O 2s -0.006502 -0.025960 -0.006387 0.000936 -0.009331 -0.013991 28O 3s 0.014976 0.050362 0.007008 -0.003743 0.019152 0.028548 28O 4s 0.000482 0.037795 0.040283 0.013125 0.005027 0.014887 28O 5s 0.058386 0.256519 -0.157379 -0.221726 0.094421 0.086133 28O 1pz 0.005158 0.048795 -0.011610 -0.030072 -0.018325 0.029263 28O 1px -0.011015 0.027485 -0.008137 -0.016322 0.004567 -0.006575 28O 1py 0.004742 0.029950 0.007737 -0.012097 0.027428 -0.055959 28O 2pz -0.006516 0.046040 -0.005673 -0.021198 -0.009665 0.017307 28O 2px -0.002561 0.028919 -0.011804 -0.020686 0.000770 -0.001285 28O 2py -0.001338 0.027443 0.007378 -0.012302 0.022021 -0.047379 28O 3pz 0.099236 0.030548 0.016409 0.015683 -0.042721 0.111283 28O 3px -0.008888 0.040238 -0.045493 -0.082900 0.019471 -0.016038 28O 3py 0.070931 0.034562 -0.003008 -0.007239 0.035754 -0.022744 28O 1dz2 0.000897 -0.000348 -0.000437 -0.000576 -0.000364 0.000118 28O 1dxz -0.000504 -0.000377 -0.000476 -0.000422 -0.000190 -0.000066 28O 1dyz 0.000525 -0.000335 -0.001193 -0.000784 -0.000702 -0.000102 28O 1dx2y2 -0.000469 0.000207 0.000379 0.000354 0.000301 -0.000368 28O 1dxy -0.000501 -0.000166 0.000112 0.000201 -0.000125 -0.000432 28O 2dz2 0.001091 0.003452 -0.003680 -0.004732 -0.004171 0.002488 28O 2dxz 0.001079 -0.004351 -0.000307 0.004531 -0.002298 0.001263 28O 2dyz 0.002988 0.002531 -0.004433 -0.004753 0.001426 -0.004140 28O 2dx2y2 -0.000327 0.002428 -0.000712 -0.003693 -0.000973 -0.000136 28O 2dxy 0.000979 -0.000129 -0.001925 -0.001475 -0.001626 0.002989 28O 1f0 -0.000041 0.000345 0.000317 0.000059 0.000166 -0.000064 28O 1f+1 0.000032 -0.000076 -0.000318 -0.000231 -0.000183 0.000147 28O 1f-1 -0.000030 0.000199 0.000355 0.000278 0.000052 0.000284 28O 1f+2 0.000082 -0.000413 -0.000116 0.000275 -0.000215 0.000125 28O 1f-2 0.000065 -0.000148 -0.000375 -0.000184 0.000015 -0.000395 28O 1f+3 0.000091 -0.000296 -0.000150 0.000179 -0.000161 0.000176 28O 1f-3 0.000077 -0.000199 0.000006 0.000028 0.000041 -0.000248 29O 1s -0.006451 0.003899 0.002294 0.001099 0.001735 -0.003043 29O 2s -0.016613 0.010117 0.005674 0.002548 0.004230 -0.008392 29O 3s 0.041855 -0.026913 -0.010346 -0.002036 -0.006991 0.029747 29O 4s -0.022589 0.017106 -0.010229 -0.017101 -0.011725 -0.051771 29O 5s 0.325854 -0.182685 -0.060116 0.006918 -0.034607 0.285983 29O 1pz -0.084784 0.012819 0.063303 0.039410 -0.013876 -0.028985 29O 1px 0.000256 -0.023213 0.025383 0.026963 -0.006333 0.048847 29O 1py -0.034903 0.027097 0.000033 -0.006263 0.004046 -0.043674 29O 2pz -0.046791 0.006756 0.040350 0.024319 -0.007716 -0.015854 29O 2px -0.000824 -0.010522 0.009710 0.013707 -0.007771 0.027805 29O 2py -0.021116 0.014475 0.003271 -0.002355 0.003235 -0.025889 29O 3pz -0.198674 0.023422 0.139767 0.076580 -0.042312 -0.069364 29O 3px -0.022314 -0.055082 0.083098 0.070143 0.000843 0.100591 29O 3py -0.081928 0.052805 0.001322 -0.013005 0.013368 -0.088866 29O 1dz2 -0.000643 0.000231 0.000296 0.000003 -0.000145 -0.000609 29O 1dxz 0.000263 0.000015 -0.000358 -0.000242 0.000140 -0.000377 29O 1dyz -0.000273 -0.000170 0.000384 0.000104 -0.000235 0.000176 29O 1dx2y2 -0.000605 0.000281 0.000252 0.000129 0.000123 -0.000138 29O 1dxy -0.000466 0.000174 0.000237 0.000045 -0.000033 -0.000356 29O 2dz2 -0.008635 0.003447 0.003441 0.001663 -0.000589 -0.006363 29O 2dxz 0.002155 0.001216 -0.003266 -0.002976 0.000874 -0.002480 29O 2dyz -0.006132 0.000285 0.005403 0.004320 -0.001122 0.000067 29O 2dx2y2 -0.000059 0.002038 -0.001020 -0.000577 0.000467 -0.000326 29O 2dxy -0.001445 -0.001163 0.002350 0.002149 -0.000721 0.000357 29O 1f0 -0.000156 -0.000357 0.000466 0.000294 -0.000040 0.000286 29O 1f+1 -0.000462 0.000145 0.000322 0.000233 -0.000092 -0.000058 29O 1f-1 0.000756 -0.000443 -0.000194 -0.000125 0.000139 0.000598 29O 1f+2 -0.000349 0.000158 0.000216 0.000173 -0.000066 -0.000102 29O 1f-2 -0.000266 -0.000235 0.000462 0.000416 0.000015 0.000343 29O 1f+3 0.000320 0.000121 -0.000229 -0.000143 0.000020 0.000105 29O 1f-3 0.000180 0.000067 -0.000142 -0.000090 0.000036 0.000105 30O 1s -0.000719 -0.009367 -0.004095 0.000240 -0.000546 0.000209 30O 2s -0.002082 -0.023188 -0.010068 0.000642 -0.001491 0.000640 30O 3s 0.006799 0.044980 0.018880 -0.002679 0.003813 -0.004162 30O 4s -0.005729 0.035608 0.015631 0.010928 -0.005711 0.027621 30O 5s 0.152119 0.120447 -0.012771 0.040819 0.229336 -0.183270 30O 1pz 0.000010 0.024169 -0.019098 0.035381 -0.004210 0.008328 30O 1px -0.020071 0.044901 -0.011323 0.014777 0.001320 -0.027950 30O 1py -0.024234 -0.039437 -0.005999 0.002755 -0.045016 0.022054 30O 2pz -0.014649 0.024686 -0.010341 0.021787 -0.007326 -0.001293 30O 2px -0.000895 0.035881 -0.015038 0.018721 0.015465 -0.015013 30O 2py -0.003846 -0.042450 -0.008069 0.004388 -0.030384 0.031766 30O 3pz 0.057935 0.049080 -0.022274 0.064129 -0.044995 0.081767 30O 3px 0.005368 0.035804 -0.004309 -0.007174 0.052134 -0.120381 30O 3py -0.088202 -0.056304 -0.035149 0.018507 -0.010391 -0.078889 30O 1dz2 0.000379 0.000043 0.000373 -0.000425 0.000176 -0.000357 30O 1dxz -0.000333 -0.000563 -0.000015 -0.000200 0.000002 -0.000356 30O 1dyz -0.000982 0.000237 0.000887 -0.000140 -0.000326 0.000008 30O 1dx2y2 -0.000780 0.000589 0.000253 0.000339 -0.000417 0.000871 30O 1dxy -0.000128 0.000813 0.000713 -0.000243 -0.000304 0.000572 30O 2dz2 -0.003635 0.000124 0.001124 0.000986 -0.005907 0.003194 30O 2dxz -0.001472 -0.000286 0.000891 -0.001086 -0.005410 0.002460 30O 2dyz -0.004222 -0.003032 0.004478 -0.002092 -0.004098 0.005607 30O 2dx2y2 -0.002059 -0.000636 0.000992 0.000348 -0.000420 0.001477 30O 2dxy 0.001530 0.000688 0.002558 -0.001126 0.006011 -0.001642 30O 1f0 0.000089 0.000095 -0.000172 0.000048 0.000296 -0.000434 30O 1f+1 -0.000058 -0.000146 -0.000225 0.000242 -0.000117 0.000109 30O 1f-1 -0.000151 -0.000134 -0.000223 -0.000027 -0.000126 -0.000064 30O 1f+2 0.000103 -0.000339 -0.000277 -0.000048 -0.000141 -0.000020 30O 1f-2 -0.000026 -0.000040 0.000226 0.000022 -0.000325 0.000522 30O 1f+3 0.000168 -0.000166 -0.000059 -0.000179 0.000065 -0.000066 30O 1f-3 -0.000014 -0.000289 -0.000392 0.000177 -0.000272 0.000032 31O 1s 0.000463 -0.009379 -0.004139 -0.000509 -0.000619 -0.000195 31O 2s 0.001455 -0.023230 -0.010175 -0.001300 -0.001662 -0.000607 31O 3s -0.005597 0.045142 0.019032 0.003853 0.003960 0.004101 31O 4s 0.007021 0.035366 0.016283 -0.009434 -0.004001 -0.027773 31O 5s -0.160448 0.127385 -0.009714 -0.041566 0.218685 0.188803 31O 1pz -0.000488 -0.024272 0.017213 0.034817 0.003798 0.009244 31O 1px -0.021798 -0.044352 0.010816 0.014570 -0.000976 -0.027939 31O 1py -0.023078 0.040543 0.005484 0.001757 0.043064 0.024662 31O 2pz -0.015629 -0.024245 0.009166 0.021284 0.007113 -0.000670 31O 2px -0.001720 -0.036072 0.014225 0.018897 -0.015090 -0.015579 31O 2py -0.002037 0.042900 0.007393 0.003639 0.028422 0.033665 31O 3pz 0.054463 -0.050527 0.018517 0.062127 0.041706 0.084901 31O 3px 0.006910 -0.036460 0.004222 -0.007459 -0.047503 -0.120986 31O 3py -0.084514 0.057891 0.034722 0.019114 0.012873 -0.076184 31O 1dz2 -0.000380 0.000056 0.000369 0.000435 0.000166 0.000350 31O 1dxz 0.000288 -0.000574 -0.000028 0.000193 -0.000009 0.000355 31O 1dyz 0.000994 0.000205 0.000869 0.000186 -0.000316 -0.000016 31O 1dx2y2 0.000817 0.000560 0.000254 -0.000320 -0.000362 -0.000880 31O 1dxy 0.000182 0.000796 0.000705 0.000278 -0.000268 -0.000560 31O 2dz2 0.003741 -0.000022 0.001141 -0.000786 -0.005617 -0.003546 31O 2dxz 0.001649 -0.000397 0.000828 0.001173 -0.005179 -0.002612 31O 2dyz 0.004388 -0.003232 0.004298 0.002218 -0.003902 -0.005625 31O 2dx2y2 0.001978 -0.000707 0.001000 -0.000255 -0.000310 -0.001563 31O 2dxy -0.001678 0.000776 0.002505 0.001102 0.005721 0.001898 31O 1f0 0.000095 -0.000102 0.000168 0.000057 -0.000274 -0.000443 31O 1f+1 -0.000050 0.000146 0.000207 0.000241 0.000112 0.000125 31O 1f-1 -0.000143 0.000140 0.000223 -0.000018 0.000118 -0.000054 31O 1f+2 0.000108 0.000335 0.000284 -0.000029 0.000150 -0.000015 31O 1f-2 -0.000039 0.000045 -0.000221 0.000012 0.000304 0.000530 31O 1f+3 0.000172 0.000160 0.000069 -0.000168 -0.000055 -0.000071 31O 1f-3 -0.000013 0.000288 0.000383 0.000187 0.000274 0.000048 32O 1s 0.006590 0.003715 0.002223 -0.001025 0.001687 0.003133 32O 2s 0.016973 0.009638 0.005478 -0.002361 0.004081 0.008612 32O 3s -0.042791 -0.025646 -0.009679 0.001631 -0.006246 -0.030094 32O 4s 0.023205 0.016233 -0.011288 0.017034 -0.013724 0.051231 32O 5s -0.332875 -0.173021 -0.054043 -0.009494 -0.026060 -0.288671 32O 1pz -0.084025 -0.009787 -0.064351 0.036924 0.015840 -0.026627 32O 1px 0.001753 0.023179 -0.026545 0.025904 0.004996 0.049634 32O 1py -0.037819 -0.025979 -0.000708 -0.005304 -0.002414 -0.044075 32O 2pz -0.046349 -0.005104 -0.040860 0.022744 0.008894 -0.014528 32O 2px -0.000012 0.010544 -0.010230 0.013135 0.007102 0.028631 32O 2py -0.022740 -0.013801 -0.003722 -0.001882 -0.002289 -0.026226 32O 3pz -0.196963 -0.016643 -0.141918 0.071034 0.046522 -0.063342 32O 3px -0.018794 0.055762 -0.085753 0.067446 -0.004416 0.101337 32O 3py -0.088773 -0.050431 -0.002966 -0.010959 -0.009569 -0.090529 32O 1dz2 0.000640 0.000221 0.000270 0.000018 -0.000155 0.000608 32O 1dxz -0.000277 0.000021 -0.000381 0.000232 0.000127 0.000383 32O 1dyz 0.000304 -0.000162 0.000402 -0.000090 -0.000228 -0.000162 32O 1dx2y2 0.000606 0.000266 0.000235 -0.000118 0.000130 0.000145 32O 1dxy 0.000472 0.000162 0.000227 -0.000033 -0.000034 0.000357 32O 2dz2 0.008439 0.003171 0.003177 -0.001310 -0.000775 0.006273 32O 2dxz -0.002263 0.001241 -0.003545 0.002904 0.000887 0.002470 32O 2dyz 0.006429 0.000293 0.005656 -0.004101 -0.001226 0.000111 32O 2dx2y2 -0.000020 0.002041 -0.001204 0.000650 0.000491 0.000332 32O 2dxy 0.001361 -0.001104 0.002328 -0.001938 -0.000752 -0.000273 32O 1f0 -0.000196 0.000330 -0.000493 0.000287 0.000049 0.000247 32O 1f+1 -0.000462 -0.000148 -0.000306 0.000204 0.000099 -0.000069 32O 1f-1 0.000734 0.000430 0.000154 -0.000086 -0.000157 0.000588 32O 1f+2 -0.000365 -0.000167 -0.000214 0.000154 0.000076 -0.000116 32O 1f-2 -0.000299 0.000231 -0.000506 0.000413 -0.000011 0.000323 32O 1f+3 0.000308 -0.000119 0.000214 -0.000121 -0.000025 0.000117 32O 1f-3 0.000194 -0.000069 0.000155 -0.000089 -0.000047 0.000111 33O 1s 0.002211 -0.010565 -0.002724 -0.000427 -0.003972 0.005478 33O 2s 0.005668 -0.026223 -0.006365 -0.001213 -0.009910 0.013706 33O 3s -0.013381 0.050954 0.006908 0.004118 0.020390 -0.027883 33O 4s 0.000903 0.037808 0.040806 -0.011690 0.005192 -0.015315 33O 5s -0.052876 0.258041 -0.163784 0.213399 0.104059 -0.080666 33O 1pz 0.003002 -0.048444 0.012508 -0.030357 0.016205 0.029706 33O 1px -0.012045 -0.026947 0.009178 -0.016768 -0.004289 -0.006633 33O 1py 0.004488 -0.030263 -0.007212 -0.011711 -0.025360 -0.057163 33O 2pz -0.008523 -0.045375 0.006578 -0.021727 0.008225 0.017287 33O 2px -0.003504 -0.028597 0.012578 -0.020631 -0.000909 -0.001305 33O 2py -0.001678 -0.027583 -0.006614 -0.012317 -0.020232 -0.048380 33O 3pz 0.096282 -0.033356 -0.018062 0.013230 0.038960 0.113190 33O 3px -0.009621 -0.039967 0.048955 -0.080845 -0.020524 -0.017093 33O 3py 0.070296 -0.036403 0.001193 -0.004840 -0.035427 -0.024246 33O 1dz2 -0.000912 -0.000321 -0.000446 0.000554 -0.000342 -0.000125 33O 1dxz 0.000479 -0.000392 -0.000490 0.000391 -0.000164 0.000051 33O 1dyz -0.000537 -0.000330 -0.001209 0.000740 -0.000699 0.000069 33O 1dx2y2 0.000474 0.000190 0.000396 -0.000335 0.000279 0.000378 33O 1dxy 0.000491 -0.000179 0.000099 -0.000181 -0.000147 0.000429 33O 2dz2 -0.000894 0.003426 -0.003802 0.004641 -0.003931 -0.002706 33O 2dxz -0.001152 -0.004274 -0.000181 -0.004448 -0.002358 -0.001469 33O 2dyz -0.003034 0.002654 -0.004621 0.004564 0.001230 0.004133 33O 2dx2y2 0.000421 0.002387 -0.000755 0.003587 -0.000855 0.000121 33O 2dxy -0.000951 -0.000135 -0.002021 0.001484 -0.001511 -0.003104 33O 1f0 -0.000052 -0.000347 -0.000311 0.000043 -0.000154 -0.000072 33O 1f+1 0.000034 0.000079 0.000327 -0.000223 0.000175 0.000149 33O 1f-1 -0.000042 -0.000199 -0.000365 0.000266 -0.000060 0.000280 33O 1f+2 0.000093 0.000410 0.000109 0.000271 0.000217 0.000137 33O 1f-2 0.000077 0.000143 0.000381 -0.000166 0.000000 -0.000392 33O 1f+3 0.000098 0.000294 0.000144 0.000182 0.000156 0.000183 33O 1f-3 0.000085 0.000195 -0.000013 0.000037 -0.000032 -0.000247 34O 1s -0.001195 -0.010452 0.001178 -0.002051 -0.002973 -0.009799 34O 2s -0.003487 -0.026047 0.002916 -0.005284 -0.006846 -0.024451 34O 3s 0.013562 0.051921 -0.004490 0.013310 0.006336 0.048945 34O 4s -0.030248 0.032916 -0.012287 -0.012946 0.052629 0.025733 34O 5s 0.184624 0.292825 -0.035168 0.127194 -0.233291 0.230918 34O 1pz 0.012301 -0.035745 0.007404 0.027330 -0.012849 -0.005621 34O 1px -0.037053 -0.010103 -0.021858 -0.015152 0.028000 0.002989 34O 1py -0.006274 0.053054 0.026641 0.021056 0.009912 -0.001584 34O 2pz 0.004884 -0.032057 0.003169 0.020550 -0.008818 -0.010637 34O 2px -0.015456 -0.003903 -0.025243 -0.014831 0.008257 0.005419 34O 2py -0.007211 0.047822 0.023368 0.019712 0.010235 -0.000232 34O 3pz -0.019645 -0.063121 0.004103 0.034785 0.013840 -0.010595 34O 3px -0.036819 0.019200 -0.020527 0.020949 -0.038603 0.033573 34O 3py 0.042103 0.079112 0.078655 0.040244 0.022867 0.041895 34O 1dz2 -0.000243 0.000034 -0.000031 0.000428 -0.000065 0.000444 34O 1dxz 0.000780 0.000201 0.000057 0.000292 -0.001028 0.000224 34O 1dyz 0.000079 0.000258 0.000592 0.000212 0.000332 0.000205 34O 1dx2y2 -0.000386 0.000262 0.000077 -0.000512 0.001013 -0.000467 34O 1dxy -0.000998 -0.000211 -0.000868 -0.000193 0.000411 -0.000445 34O 2dz2 -0.003516 -0.004606 -0.000144 0.000034 0.005279 -0.002262 34O 2dxz -0.001245 -0.001338 -0.000843 -0.001505 0.000444 -0.001262 34O 2dyz 0.001270 -0.001436 0.004778 0.002604 -0.001563 -0.007131 34O 2dx2y2 0.002730 0.004258 0.000579 0.002059 -0.003255 0.001855 34O 2dxy -0.003307 -0.003943 -0.001610 -0.000984 0.003873 -0.000819 34O 1f0 -0.000090 0.000248 0.000067 0.000087 0.000149 0.000174 34O 1f+1 -0.000105 -0.000195 0.000208 0.000208 0.000196 -0.000221 34O 1f-1 0.000137 0.000019 -0.000018 -0.000060 -0.000255 -0.000051 34O 1f+2 0.000112 -0.000148 0.000065 -0.000069 -0.000259 -0.000036 34O 1f-2 0.000078 0.000153 0.000227 0.000031 -0.000010 -0.000137 34O 1f+3 0.000116 -0.000504 0.000043 0.000114 -0.000245 -0.000442 34O 1f-3 0.000122 -0.000154 0.000216 0.000214 -0.000341 0.000011 35O 1s 0.002355 -0.009063 0.003276 -0.005135 -0.001214 -0.003295 35O 2s 0.005588 -0.022403 0.008228 -0.012526 -0.003031 -0.008253 35O 3s -0.007866 0.042269 -0.016907 0.021062 0.006322 0.015859 35O 4s -0.019929 0.044299 -0.005005 0.035749 0.000067 0.017339 35O 5s -0.035150 0.119875 -0.129551 0.013125 0.134003 0.090834 35O 1pz 0.008592 -0.058711 -0.018753 -0.001463 -0.017149 0.017972 35O 1px -0.010041 0.015479 -0.019710 0.029733 -0.014561 0.007860 35O 1py 0.006740 -0.031614 -0.012885 0.003604 -0.021505 -0.026662 35O 2pz 0.005221 -0.050101 -0.019189 0.000113 -0.017111 0.011262 35O 2px 0.005376 0.012499 -0.017491 0.021330 -0.012790 0.020379 35O 2py 0.007016 -0.028140 -0.011671 0.000831 -0.017683 -0.017254 35O 3pz -0.003480 -0.108622 -0.016417 -0.010163 -0.026089 0.051614 35O 3px -0.063209 -0.005256 -0.049907 0.023743 0.060408 -0.014516 35O 3py -0.006195 -0.064014 -0.036710 0.016421 -0.025096 -0.073310 35O 1dz2 -0.000470 -0.000551 -0.000471 -0.000050 0.000042 0.000154 35O 1dxz 0.000149 0.000124 0.000275 -0.000319 0.000461 -0.000646 35O 1dyz 0.000251 -0.000321 -0.000208 -0.000124 0.000056 -0.000252 35O 1dx2y2 0.000564 0.000608 0.000247 0.000107 -0.000667 0.000173 35O 1dxy 0.000768 0.000305 0.000630 -0.000335 0.000422 0.000626 35O 2dz2 -0.001921 -0.000974 -0.002445 0.002757 -0.000455 0.001811 35O 2dxz 0.000295 0.000090 0.002497 -0.003200 0.002741 -0.001038 35O 2dyz 0.000086 0.002766 -0.004444 0.005535 -0.000995 0.001564 35O 2dx2y2 0.002801 0.002437 0.001499 -0.001341 0.003927 0.002381 35O 2dxy 0.002504 0.002135 0.000784 -0.000454 0.004676 0.002661 35O 1f0 -0.000199 0.000152 -0.000039 0.000107 -0.000021 0.000349 35O 1f+1 -0.000100 -0.000369 -0.000046 -0.000227 0.000059 0.000155 35O 1f-1 0.000045 -0.000138 -0.000031 -0.000141 -0.000121 0.000061 35O 1f+2 0.000096 -0.000086 0.000295 -0.000274 0.000117 0.000072 35O 1f-2 0.000178 -0.000292 -0.000133 -0.000126 -0.000049 -0.000121 35O 1f+3 0.000051 -0.000366 -0.000051 -0.000212 0.000005 0.000066 35O 1f-3 -0.000181 -0.000081 0.000010 -0.000139 -0.000175 -0.000339 138 139 140 141 142 143 0.12537 0.13012 0.13454 0.13535 0.14109 0.14825 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s -0.000566 -0.000295 -0.001918 -0.002287 -0.007209 -0.000640 0Rh 2s 0.002005 0.001135 0.006703 0.008325 0.025150 0.002140 0Rh 3s -0.002049 -0.001009 -0.006995 -0.008132 -0.026314 -0.002394 0Rh 4s -0.008694 -0.004969 -0.029026 -0.036191 -0.109001 -0.009215 0Rh 5s 0.005853 0.004119 0.018642 0.025697 0.070746 0.004855 0Rh 6s 0.019138 0.008061 0.067754 0.075788 0.249439 0.025867 0Rh 7s -0.052217 -0.022513 -0.007743 0.174978 -1.075709 0.097551 0Rh 8s 0.065570 0.148368 -0.459467 -1.603611 1.467326 -0.973376 0Rh 1pz 0.001860 -0.001037 0.000580 -0.000363 0.002590 -0.002674 0Rh 1px -0.001622 -0.000057 -0.004047 0.003931 -0.009127 0.000037 0Rh 1py 0.000434 0.001028 0.000346 0.003329 -0.002651 -0.003147 0Rh 2pz -0.006336 0.003547 -0.002010 0.001206 -0.008762 0.009199 0Rh 2px 0.005562 0.000181 0.013921 -0.013406 0.030907 -0.000012 0Rh 2py -0.001504 -0.003568 -0.001220 -0.011375 0.008994 0.010809 0Rh 3pz 0.004948 -0.003030 0.002240 -0.000365 0.005699 -0.008835 0Rh 3px -0.005002 0.000086 -0.013319 0.010730 -0.020612 -0.002148 0Rh 3py 0.001623 0.004088 0.001694 0.009503 -0.006269 -0.009960 0Rh 4pz 0.010207 -0.004718 0.000677 -0.004181 0.018158 -0.008624 0Rh 4px -0.006518 -0.001143 -0.013426 0.020556 -0.062260 0.008449 0Rh 4py 0.000914 0.000652 -0.000703 0.015946 -0.017170 -0.011860 0Rh 5pz -0.002352 -0.001510 0.004754 0.005353 -0.008885 -0.008900 0Rh 5px -0.002327 0.001860 -0.011635 -0.002346 0.029162 -0.019136 0Rh 5py 0.000874 0.009514 0.005854 0.002304 0.006473 -0.009400 0Rh 6pz 0.004131 0.067088 -0.020210 -0.017394 -0.061678 0.016050 0Rh 6px 0.035211 -0.060218 0.108905 0.002361 0.111092 0.288764 0Rh 6py -0.006594 -0.008634 -0.035428 -0.092004 0.016729 0.005122 0Rh 1dz2 0.000844 -0.001929 0.002580 -0.002895 0.012760 -0.001271 0Rh 1dxz -0.000304 0.004053 0.005545 -0.001912 0.018297 -0.002270 0Rh 1dyz -0.001765 -0.007464 0.002262 0.000483 0.003442 0.003677 0Rh 1dx2y2 -0.004294 0.000046 -0.004721 0.008815 -0.027246 0.008118 0Rh 1dxy -0.003653 0.001023 -0.003741 0.001799 -0.007328 -0.007449 0Rh 2dz2 -0.000100 0.000060 -0.000056 0.000122 -0.000548 0.000014 0Rh 2dxz 0.000031 -0.000404 -0.000307 0.000062 -0.000770 0.000022 0Rh 2dyz -0.000236 0.000477 -0.000024 -0.000060 -0.000199 -0.000129 0Rh 2dx2y2 0.000113 -0.000184 0.000235 -0.000521 0.001046 -0.000287 0Rh 2dxy 0.000163 -0.000085 0.000008 -0.000094 0.000380 0.000280 0Rh 3dz2 -0.001040 0.003062 -0.004205 0.004500 -0.019744 0.002133 0Rh 3dxz 0.000430 -0.005405 -0.008339 0.003031 -0.028458 0.003845 0Rh 3dyz 0.003981 0.010956 -0.003811 -0.000586 -0.005114 -0.005886 0Rh 3dx2y2 0.006935 0.000638 0.007153 -0.013126 0.042665 -0.012938 0Rh 3dxy 0.005646 -0.001466 0.006443 -0.002746 0.011065 0.011889 0Rh 4dz2 -0.002481 0.003499 -0.004208 0.005799 -0.025111 0.002091 0Rh 4dxz 0.000816 -0.010699 -0.011549 0.003701 -0.035780 0.003499 0Rh 4dyz -0.000309 0.016280 -0.003480 -0.001375 -0.007413 -0.006608 0Rh 4dx2y2 0.007418 -0.002322 0.009396 -0.019339 0.052375 -0.015057 0Rh 4dxy 0.007285 -0.002601 0.005238 -0.003572 0.015308 0.013911 0Rh 5dz2 0.003169 0.003600 -0.010038 0.002733 -0.010012 0.002276 0Rh 5dxz -0.001429 0.007050 -0.007602 0.000090 -0.014542 0.009953 0Rh 5dyz 0.019495 0.006851 -0.007435 0.001788 -0.000204 -0.012512 0Rh 5dx2y2 0.011479 0.011380 0.011692 0.000832 0.025441 -0.018790 0Rh 5dxy 0.004033 0.002328 0.015746 -0.004827 0.000061 0.015637 0Rh 1f0 -0.000007 0.001472 -0.000249 0.002008 0.000844 -0.001462 0Rh 1f+1 -0.000717 0.000059 0.000233 0.000803 -0.000843 -0.000835 0Rh 1f-1 -0.001101 0.000016 -0.000081 0.002223 -0.000293 -0.004253 0Rh 1f+2 -0.000616 0.001152 -0.000514 -0.001012 -0.001073 0.001298 0Rh 1f-2 0.001239 0.000721 -0.000311 0.001362 -0.000421 -0.002589 0Rh 1f+3 0.001273 -0.001462 0.000205 -0.001471 -0.001207 0.000626 0Rh 1f-3 -0.000426 0.001537 0.000629 0.000412 -0.000896 -0.001881 1Rh 1s -0.000595 0.000211 -0.001121 0.002701 -0.007212 0.000678 1Rh 2s 0.002101 -0.000841 0.003821 -0.009757 0.025161 -0.002276 1Rh 3s -0.002154 0.000705 -0.004149 0.009648 -0.026323 0.002530 1Rh 4s -0.009108 0.003695 -0.016508 0.042387 -0.109050 0.009806 1Rh 5s 0.006084 -0.003278 0.009911 -0.029587 0.070806 -0.005275 1Rh 6s 0.020242 -0.005194 0.040966 -0.090564 0.249432 -0.027084 1Rh 7s -0.049185 0.017588 -0.066133 -0.164613 -1.075812 -0.091114 1Rh 8s 0.032673 -0.148147 0.096294 1.651305 1.473006 0.961583 1Rh 1pz -0.001864 -0.001198 -0.000603 -0.000250 -0.002650 -0.002679 1Rh 1px 0.001602 0.000198 0.005099 0.002612 0.009099 -0.000065 1Rh 1py -0.000531 0.000989 0.000685 0.003288 0.002645 -0.003174 1Rh 2pz 0.006354 0.004099 0.002076 0.000814 0.008969 0.009216 1Rh 2px -0.005493 -0.000692 -0.017499 -0.008874 -0.030810 0.000336 1Rh 2py 0.001837 -0.003436 -0.002302 -0.011249 -0.008971 0.010901 1Rh 3pz -0.004986 -0.003523 -0.002021 0.000100 -0.005877 -0.008855 1Rh 3px 0.004985 0.000879 0.016045 0.006513 0.020520 -0.002427 1Rh 3py -0.001934 0.003935 0.001240 0.009616 0.006251 -0.010066 1Rh 4pz -0.010142 -0.005381 -0.001828 -0.004150 -0.018425 -0.008622 1Rh 4px 0.006266 -0.000152 0.019414 0.015748 0.062167 0.007919 1Rh 4py -0.001245 0.000606 0.005679 0.014988 0.017134 -0.011875 1Rh 5pz 0.002143 -0.001780 -0.002443 0.006426 0.008801 -0.008984 1Rh 5px 0.002635 0.002297 0.010065 -0.005355 -0.029267 -0.019101 1Rh 5py -0.001242 0.009302 -0.005164 0.004052 -0.006456 -0.009667 1Rh 6pz -0.001560 0.070001 0.007305 -0.021998 0.061381 0.015367 1Rh 6px -0.038639 -0.065434 -0.096257 0.031116 -0.109214 0.290482 1Rh 6py 0.006113 -0.007872 0.007599 -0.098765 -0.016104 0.006297 1Rh 1dz2 0.000870 0.002162 0.003369 0.002121 0.012767 0.001350 1Rh 1dxz -0.000272 -0.003919 0.006140 0.000174 0.018354 0.002048 1Rh 1dyz -0.001704 0.007481 0.001830 -0.001165 0.003426 -0.003392 1Rh 1dx2y2 -0.004173 -0.000495 -0.007280 -0.007244 -0.027317 -0.007944 1Rh 1dxy -0.003481 -0.001389 -0.004219 -0.000714 -0.007361 0.007588 1Rh 2dz2 -0.000105 -0.000072 -0.000092 -0.000103 -0.000546 -0.000017 1Rh 2dxz 0.000015 0.000391 -0.000335 0.000026 -0.000776 -0.000017 1Rh 2dyz -0.000239 -0.000489 0.000007 0.000058 -0.000199 0.000103 1Rh 2dx2y2 0.000100 0.000197 0.000374 0.000435 0.001050 0.000281 1Rh 2dxy 0.000152 0.000098 0.000037 0.000088 0.000383 -0.000302 1Rh 3dz2 -0.001066 -0.003415 -0.005422 -0.003249 -0.019759 -0.002262 1Rh 3dxz 0.000441 0.005229 -0.009248 -0.000381 -0.028533 -0.003482 1Rh 3dyz 0.003888 -0.010939 -0.003191 0.001773 -0.005089 0.005497 1Rh 3dx2y2 0.006780 0.000082 0.011011 0.010776 0.042767 0.012658 1Rh 3dxy 0.005394 0.002046 0.007152 0.000888 0.011113 -0.012045 1Rh 4dz2 -0.002573 -0.003969 -0.005827 -0.004484 -0.025090 -0.002198 1Rh 4dxz 0.000576 0.010350 -0.012807 -0.000176 -0.035912 -0.003122 1Rh 4dyz -0.000431 -0.016439 -0.002503 0.002327 -0.007379 0.005975 1Rh 4dx2y2 0.007080 0.003115 0.014876 0.016078 0.052504 0.014746 1Rh 4dxy 0.006904 0.003283 0.006246 0.002025 0.015379 -0.014340 1Rh 5dz2 0.003258 -0.003978 -0.010562 -0.000081 -0.010182 -0.003069 1Rh 5dxz -0.000727 -0.007016 -0.007021 0.002409 -0.014630 -0.009425 1Rh 5dyz 0.019499 -0.006406 -0.007562 0.000747 -0.000232 0.011242 1Rh 5dx2y2 0.011843 -0.010250 0.011775 -0.003652 0.025655 0.018338 1Rh 5dxy 0.003966 -0.001728 0.016853 0.000213 0.000080 -0.015594 1Rh 1f0 -0.000086 0.001516 0.000807 0.001842 -0.000843 -0.001426 1Rh 1f+1 0.000691 0.000047 0.000032 0.000836 0.000812 -0.000883 1Rh 1f-1 0.001054 0.000100 0.000827 0.002089 0.000256 -0.004219 1Rh 1f+2 0.000607 0.001156 0.000088 -0.001080 0.001126 0.001343 1Rh 1f-2 -0.001335 0.000687 0.000714 0.001176 0.000438 -0.002675 1Rh 1f+3 -0.001208 -0.001492 -0.000607 -0.001368 0.001176 0.000641 1Rh 1f-3 0.000350 0.001555 -0.000488 0.000587 0.000896 -0.001837 2C 1s -0.000422 -0.003059 -0.001615 -0.004853 -0.008910 0.003739 2C 2s -0.000696 -0.007048 -0.003671 -0.010697 -0.019880 0.008892 2C 3s -0.005548 0.023215 0.011971 0.024954 0.026601 -0.038945 2C 4s 0.050322 -0.052445 -0.011246 -0.014683 0.075060 0.154380 2C 5s -0.000238 0.200125 -0.014739 0.786269 0.757828 -1.590403 2C 1pz 0.017030 0.014533 0.070529 0.039395 0.047908 0.007354 2C 1px 0.099641 -0.072948 0.005647 0.006934 -0.005339 0.007126 2C 1py -0.088737 0.001476 -0.130378 -0.096199 0.031438 0.018214 2C 2pz 0.028999 -0.018048 0.019398 0.021551 0.079155 -0.002619 2C 2px 0.036281 -0.031658 0.000071 0.002168 0.008015 0.001927 2C 2py -0.018908 0.000687 -0.037468 -0.027210 0.049928 -0.001918 2C 3pz 0.042025 0.237384 0.532615 0.633675 0.715880 -0.586782 2C 3px 0.616988 -0.360935 0.044157 -0.054534 0.092365 -0.284128 2C 3py -0.444068 -0.017923 -0.933661 -0.419880 0.503557 -0.355428 2C 1dz2 0.000971 -0.000873 0.000449 -0.000745 -0.005900 0.005284 2C 1dxz 0.008782 -0.004449 0.004730 -0.000231 -0.004963 0.001248 2C 1dyz -0.002124 -0.000556 0.000347 -0.001984 -0.009565 0.009796 2C 1dx2y2 -0.002934 0.004379 0.004451 0.006352 0.004129 -0.001171 2C 1dxy -0.001589 -0.003455 -0.009667 -0.007954 -0.002766 0.002414 2C 2dz2 0.016261 -0.000310 0.014807 0.022859 0.014522 -0.015942 2C 2dxz 0.067632 -0.030624 0.025999 0.028135 0.003671 -0.007974 2C 2dyz -0.008695 0.026914 0.019397 0.027141 0.029081 -0.042407 2C 2dx2y2 -0.013599 0.019285 0.020337 0.003790 -0.003925 0.009860 2C 2dxy -0.034928 0.000767 -0.054513 -0.038481 0.006113 -0.005101 2C 1f0 0.001824 0.001280 0.005238 0.003141 0.000484 0.000680 2C 1f+1 -0.004084 0.001651 -0.003027 -0.002268 0.001152 -0.001519 2C 1f-1 0.001854 -0.001203 -0.001093 0.000898 0.003640 -0.001228 2C 1f+2 0.002967 -0.001900 -0.000149 0.000860 -0.001518 -0.000182 2C 1f-2 0.004155 -0.002629 0.001123 -0.000019 0.000349 0.002909 2C 1f+3 0.004524 0.000684 0.005669 0.005536 0.001436 -0.004535 2C 1f-3 -0.004520 0.003370 0.000028 -0.000355 0.000799 -0.002657 3C 1s -0.000723 0.005254 -0.001329 -0.000187 -0.009501 -0.006705 3C 2s -0.001774 0.011756 -0.002889 -0.000402 -0.021175 -0.015168 3C 3s 0.007765 -0.031996 0.003937 -0.001704 0.026041 0.036344 3C 4s -0.027278 0.033318 0.027523 0.016578 0.082443 -0.094829 3C 5s -0.063371 -0.836277 -0.155007 -0.290231 1.219478 2.340866 3C 1pz 0.105920 0.113612 -0.083506 0.044518 0.029516 0.071013 3C 1px -0.009976 0.082970 -0.069226 -0.043765 0.022041 0.011005 3C 1py 0.039842 0.057624 -0.059988 -0.010445 -0.043637 0.001201 3C 2pz 0.019958 0.025179 -0.013387 0.022939 0.052535 0.039946 3C 2px -0.006207 0.020826 -0.022647 -0.020613 0.038894 0.017595 3C 2py 0.032984 0.024132 -0.021429 -0.001658 -0.093469 -0.041479 3C 3pz 0.557998 0.581717 -0.689607 0.251550 0.573879 1.243563 3C 3px -0.069150 0.450490 -0.454384 -0.457282 0.397223 0.397436 3C 3py 0.208968 0.724124 -0.455120 -0.057035 -0.921375 -1.119464 3C 1dz2 -0.000802 -0.005019 0.005143 0.000844 0.001923 0.001776 3C 1dxz -0.000497 0.008439 -0.007582 -0.007090 -0.003367 -0.006954 3C 1dyz -0.003195 -0.005667 0.002163 -0.003538 0.010811 0.009570 3C 1dx2y2 0.004371 0.004163 -0.006062 0.000616 0.008345 0.014200 3C 1dxy 0.003408 0.001652 -0.001984 0.002082 0.006741 0.012114 3C 2dz2 -0.015547 -0.023327 0.022653 0.003307 -0.008571 -0.023340 3C 2dxz -0.002640 0.029234 -0.028831 -0.021598 0.013911 0.016947 3C 2dyz -0.038697 0.004944 0.000729 -0.020729 -0.033324 -0.043121 3C 2dx2y2 0.048947 0.061002 -0.034289 0.010937 -0.021325 -0.014987 3C 2dxy 0.033038 0.042895 -0.023443 0.016284 -0.019556 -0.011076 3C 1f0 0.006163 0.008207 -0.004738 0.001682 -0.003322 -0.001635 3C 1f+1 0.003274 0.000244 0.000509 0.001862 -0.000236 -0.000176 3C 1f-1 -0.003547 -0.002110 0.002055 -0.000734 -0.001144 -0.002536 3C 1f+2 0.000878 -0.002793 0.000479 -0.000407 -0.001690 0.000830 3C 1f-2 -0.000970 -0.000244 -0.000688 -0.000949 -0.001888 -0.000056 3C 1f+3 0.002940 0.003858 -0.003568 -0.000574 0.003158 0.004283 3C 1f-3 -0.002543 0.002348 -0.001729 -0.002102 -0.001480 -0.002195 4C 1s -0.002778 0.003603 -0.000646 0.001423 0.012967 -0.005797 4C 2s -0.006143 0.007994 -0.002084 0.002882 0.028732 -0.012299 4C 3s 0.014613 -0.015147 0.013071 0.000369 -0.013933 0.016958 4C 4s -0.024645 -0.034327 -0.062677 -0.062422 -0.281513 0.086163 4C 5s -0.063029 0.045205 0.498563 -0.168250 -1.833594 0.281617 4C 1pz -0.015149 0.007857 -0.023106 0.013804 0.060946 -0.045329 4C 1px 0.011276 -0.014680 -0.029995 -0.029538 0.005446 -0.008686 4C 1py 0.015124 0.016068 0.060598 0.043032 0.034350 -0.043780 4C 2pz 0.025540 0.007873 -0.008765 0.078509 0.120703 -0.133324 4C 2px 0.014120 -0.000425 0.024401 -0.030772 -0.000656 -0.063993 4C 2py 0.002831 0.058423 0.081892 0.081704 0.071009 -0.124203 4C 3pz -0.200256 -0.001563 -0.241090 0.146944 0.123925 -0.648324 4C 3px -0.146098 0.061587 0.072402 0.035428 -0.092256 -0.069347 4C 3py 0.144641 -0.097037 0.276474 0.316737 0.004432 -0.425321 4C 1dz2 -0.000265 -0.002037 -0.004104 -0.004165 0.002559 -0.000275 4C 1dxz -0.002750 0.002417 0.002642 0.003263 0.001100 -0.001940 4C 1dyz 0.000088 -0.000403 -0.000247 -0.001349 0.006120 0.005274 4C 1dx2y2 -0.002061 0.000922 -0.003399 -0.001802 0.000535 0.002405 4C 1dxy -0.004074 0.001787 -0.001923 -0.000724 0.002685 0.003259 4C 2dz2 -0.008192 -0.004904 -0.021355 -0.009816 -0.002117 0.026292 4C 2dxz -0.024014 0.021550 0.008038 -0.013600 0.011481 -0.002849 4C 2dyz -0.014500 0.003635 -0.005890 -0.002350 -0.018888 0.008988 4C 2dx2y2 -0.005957 -0.005240 -0.000680 -0.004975 -0.021187 -0.004950 4C 2dxy -0.011475 0.015424 0.025557 0.000867 -0.018511 -0.013079 4C 1f0 0.000566 0.001401 0.003138 0.003225 0.001548 -0.001115 4C 1f+1 0.000371 0.000195 -0.000192 0.000617 0.002242 -0.002385 4C 1f-1 0.000886 -0.000856 -0.001034 0.000684 0.003102 -0.001032 4C 1f+2 0.002553 -0.001587 0.000831 -0.000047 -0.002877 0.001432 4C 1f-2 0.002513 -0.001301 0.002183 0.000354 0.000442 -0.000847 4C 1f+3 -0.000336 0.000295 -0.000642 0.000142 0.000001 -0.000737 4C 1f-3 0.000889 -0.001180 -0.001322 0.000326 0.001656 0.001024 5C 1s 0.001811 -0.000879 -0.000778 0.003738 0.014817 0.017230 5C 2s 0.003847 -0.001420 -0.002273 0.008507 0.032766 0.038379 5C 3s -0.004904 -0.005439 0.013796 -0.019185 -0.012909 -0.066508 5C 4s 0.006726 0.085446 -0.068841 -0.017152 -0.338210 -0.147092 5C 5s 0.117980 -0.065622 0.455023 -0.055412 -2.197031 -1.763223 5C 1pz -0.008141 -0.057760 0.059550 0.004431 0.034522 0.007690 5C 1px -0.001782 -0.010862 -0.001570 -0.028862 0.028730 0.015383 5C 1py -0.014877 -0.006400 0.029145 0.000653 -0.068513 -0.105608 5C 2pz -0.004030 -0.086585 0.086144 0.011309 0.070112 0.066906 5C 2px 0.024051 -0.047066 -0.019646 -0.009999 0.070876 0.019222 5C 2py 0.023861 0.067511 -0.000706 0.019070 -0.136003 -0.243092 5C 3pz -0.218882 -0.350585 0.195126 -0.208144 0.154781 0.685100 5C 3px 0.061695 -0.198566 -0.094678 0.096115 0.187564 0.412067 5C 3py -0.148393 0.009368 0.196239 0.099521 -0.325007 -1.200392 5C 1dz2 -0.003023 -0.005627 0.003769 -0.003450 -0.001968 -0.002006 5C 1dxz 0.000344 -0.001703 0.002422 0.000590 0.000642 -0.000217 5C 1dyz 0.000114 -0.003954 0.002240 -0.000136 -0.006124 0.000277 5C 1dx2y2 -0.000327 -0.001378 0.001515 0.003188 -0.002394 0.000781 5C 1dxy -0.001224 0.001726 -0.003028 -0.004355 -0.002344 -0.000307 5C 2dz2 -0.013543 0.002599 0.001037 -0.005366 0.019430 -0.008144 5C 2dxz 0.008883 -0.009642 -0.001788 0.003724 0.009358 -0.019278 5C 2dyz 0.001271 -0.011869 0.004219 0.000567 0.038083 0.001148 5C 2dx2y2 -0.006195 -0.029680 0.013730 0.009266 -0.002965 0.010266 5C 2dxy -0.025867 -0.005413 0.014168 -0.011353 -0.000150 0.011559 5C 1f0 0.000502 0.000390 -0.001190 -0.000079 -0.001031 -0.000606 5C 1f+1 -0.001021 -0.000342 -0.000037 -0.001543 0.001122 0.001863 5C 1f-1 -0.002205 -0.003232 0.002049 -0.000548 -0.000194 -0.001521 5C 1f+2 0.001348 0.001844 -0.000781 0.000483 -0.002670 -0.003710 5C 1f-2 -0.001597 0.000119 0.001525 -0.000250 -0.004119 -0.001021 5C 1f+3 -0.000758 0.000967 -0.001372 -0.002051 0.003996 0.000567 5C 1f-3 -0.000436 0.001872 -0.001690 -0.001149 -0.002436 0.000579 6C 1s 0.001784 0.000987 -0.001748 -0.003263 0.014804 -0.016428 6C 2s 0.003818 0.001638 -0.004449 -0.007303 0.032734 -0.036621 6C 3s -0.005342 0.005514 0.018293 0.014391 -0.012976 0.064948 6C 4s 0.010979 -0.087717 -0.059178 0.034263 -0.337775 0.133455 6C 5s 0.116397 0.067668 0.434943 -0.073364 -2.190872 1.649008 6C 1pz 0.010182 -0.059579 -0.053560 0.022108 -0.034968 0.005572 6C 1px 0.002962 -0.010926 -0.007390 -0.028058 -0.028913 0.013827 6C 1py 0.014754 -0.006570 -0.026288 0.010206 0.068676 -0.102105 6C 2pz 0.007509 -0.087989 -0.075496 0.036267 -0.071337 0.061850 6C 2px -0.022134 -0.048369 0.015859 -0.017454 -0.071297 0.016794 6C 2py -0.027720 0.067592 0.006877 0.018721 0.136702 -0.233720 6C 3pz 0.239790 -0.359279 -0.247643 -0.138436 -0.155622 0.622789 6C 3px -0.061171 -0.206581 0.124021 0.053958 -0.186405 0.374913 6C 3py 0.139989 0.011813 -0.147644 0.162934 0.326371 -1.101466 6C 1dz2 -0.003331 0.005658 0.004467 0.002170 -0.001910 0.002046 6C 1dxz 0.000328 0.001767 0.002034 -0.001236 0.000658 0.000240 6C 1dyz -0.000054 0.003942 0.002039 -0.000449 -0.006050 -0.000316 6C 1dx2y2 -0.000251 0.001438 0.000428 -0.003555 -0.002407 -0.000894 6C 1dxy -0.001332 -0.001913 -0.001490 0.005028 -0.002316 0.000298 6C 2dz2 -0.013521 -0.003366 0.002369 0.004248 0.019435 0.008172 6C 2dxz 0.008833 0.010516 -0.002723 -0.002771 0.009438 0.017727 6C 2dyz 0.000911 0.012111 0.003449 -0.001451 0.038112 0.000005 6C 2dx2y2 -0.006795 0.030481 0.009338 -0.012567 -0.002984 -0.007839 6C 2dxy -0.026923 0.004761 0.016347 0.006069 -0.000227 -0.009311 6C 1f0 -0.000526 0.000395 0.001071 -0.000436 0.001035 -0.000387 6C 1f+1 0.001092 -0.000339 -0.000471 -0.001456 -0.001102 0.001818 6C 1f-1 0.002332 -0.003313 -0.002044 0.000127 0.000193 -0.001524 6C 1f+2 -0.001385 0.001878 0.000861 0.000211 0.002634 -0.003478 6C 1f-2 0.001591 0.000148 -0.001501 0.000298 0.004126 -0.000866 6C 1f+3 0.000810 0.001040 0.000631 -0.002338 -0.003998 0.000388 6C 1f-3 0.000433 0.001920 0.001166 -0.001588 0.002447 0.000685 7C 1s -0.002774 -0.003880 -0.000928 -0.001272 0.012951 0.004933 7C 2s -0.006145 -0.008625 -0.002581 -0.002380 0.028690 0.010403 7C 3s 0.014541 0.016388 0.011474 -0.003559 -0.013892 -0.015544 7C 4s -0.024415 0.034661 -0.039117 0.076294 -0.281224 -0.069890 7C 5s -0.049511 -0.019508 0.528182 0.031144 -1.830367 -0.149060 7C 1pz 0.014612 0.009259 0.027443 0.005867 -0.061265 -0.040703 7C 1px -0.011165 -0.015225 0.020223 -0.037536 -0.005333 -0.007615 7C 1py -0.016147 0.014616 -0.045444 0.059972 -0.034696 -0.041559 7C 2pz -0.026794 0.009068 0.035396 0.071343 -0.122088 -0.121654 7C 2px -0.013383 -0.002739 -0.032210 -0.024921 0.000501 -0.064269 7C 2py -0.006034 0.056306 -0.053700 0.102966 -0.071754 -0.119326 7C 3pz 0.198626 0.019569 0.283373 0.078682 -0.126987 -0.544910 7C 3px 0.145385 0.060204 -0.051830 0.048062 0.094161 -0.057431 7C 3py -0.139757 -0.095160 -0.161675 0.388612 -0.009544 -0.361459 7C 1dz2 -0.000299 0.002061 -0.002718 0.005185 0.002522 0.000159 7C 1dxz -0.002722 -0.002559 0.001501 -0.003834 0.001125 0.001901 7C 1dyz -0.000031 0.000342 0.000321 0.001264 0.006067 -0.005360 7C 1dx2y2 -0.002070 -0.001098 -0.002594 0.002643 0.000485 -0.002319 7C 1dxy -0.004198 -0.002098 -0.001549 0.001216 0.002656 -0.003240 7C 2dz2 -0.007334 0.004614 -0.017245 0.014773 -0.002139 -0.024811 7C 2dxz -0.024019 -0.022088 0.012416 0.011140 0.011550 0.005238 7C 2dyz -0.014179 -0.004299 -0.004455 0.003585 -0.018959 -0.006830 7C 2dx2y2 -0.006703 0.005051 0.000345 0.005306 -0.021107 0.003555 7C 2dxy -0.011551 -0.015682 0.024800 -0.008272 -0.018347 0.013924 7C 1f0 -0.000599 0.001418 -0.002067 0.004043 -0.001536 -0.001048 7C 1f+1 -0.000412 0.000168 0.000399 0.000528 -0.002229 -0.002272 7C 1f-1 -0.000840 -0.000798 0.001225 0.000393 -0.003106 -0.000648 7C 1f+2 -0.002499 -0.001690 -0.000836 0.000207 0.002891 0.001290 7C 1f-2 -0.002479 -0.001432 -0.001992 0.000944 -0.000455 -0.000782 7C 1f+3 0.000228 0.000237 0.000621 -0.000002 0.000033 -0.000686 7C 1f-3 -0.000875 -0.001119 0.001404 -0.000045 -0.001689 0.001123 8C 1s -0.000417 -0.005393 -0.001236 0.000479 -0.009569 0.006544 8C 2s -0.001073 -0.012072 -0.002693 0.001026 -0.021332 0.014802 8C 3s 0.005515 0.032650 0.004332 0.001042 0.026705 -0.036115 8C 4s -0.023133 -0.032946 0.020988 -0.024669 0.080645 0.093479 8C 5s -0.122513 0.845847 -0.057361 0.335040 1.229466 -2.169980 8C 1pz -0.111059 0.114558 0.089492 0.015088 -0.029172 0.071523 8C 1px 0.010319 0.086395 0.050149 -0.062034 -0.021971 0.009806 8C 1py -0.040312 0.060141 0.052350 -0.029233 0.043162 0.003012 8C 2pz -0.021192 0.025136 0.019063 0.016865 -0.052165 0.036858 8C 2px 0.006443 0.021832 0.015058 -0.026638 -0.038807 0.014941 8C 2py -0.033074 0.024763 0.019052 -0.009046 0.092745 -0.035488 8C 3pz -0.584810 0.589808 0.708829 0.018794 -0.570957 1.201441 8C 3px 0.082049 0.470151 0.268519 -0.568075 -0.399039 0.365409 8C 3py -0.231881 0.746268 0.402929 -0.190149 0.922945 -1.036160 8C 1dz2 -0.000983 0.005123 0.004476 -0.002236 0.001963 -0.001605 8C 1dxz -0.000438 -0.008934 -0.004909 0.008990 -0.003364 0.006597 8C 1dyz -0.003584 0.005620 0.003039 0.002792 0.010880 -0.008901 8C 1dx2y2 0.004452 -0.004124 -0.005636 0.001284 0.008324 -0.013709 8C 1dxy 0.003540 -0.001662 -0.002407 -0.001354 0.006755 -0.011804 8C 2dz2 -0.016143 0.023623 0.019429 -0.009946 -0.008595 0.023015 8C 2dxz -0.002350 -0.032058 -0.020821 0.029198 0.014077 -0.015909 8C 2dyz -0.038552 -0.006050 0.006508 0.018483 -0.033621 0.041382 8C 2dx2y2 0.050993 -0.061002 -0.033996 0.000207 -0.021354 0.012818 8C 2dxy 0.035703 -0.043526 -0.026577 -0.008239 -0.019675 0.008957 8C 1f0 -0.006525 0.008282 0.004813 0.000139 0.003342 -0.001406 8C 1f+1 -0.003297 -0.000041 -0.000022 0.001857 0.000208 -0.000079 8C 1f-1 0.003603 -0.002222 -0.002142 -0.000005 0.001180 -0.002498 8C 1f+2 -0.000680 -0.002887 -0.000573 -0.000287 0.001641 0.000867 8C 1f-2 0.001003 -0.000161 0.000406 -0.001092 0.001834 0.000086 8C 1f+3 -0.003023 0.003955 0.003092 -0.001661 -0.003191 0.004156 8C 1f-3 0.002509 0.002563 0.001026 -0.002451 0.001485 -0.002102 9C 1s -0.000658 0.003086 0.000054 0.005116 -0.008965 -0.003456 9C 2s -0.001232 0.007109 0.000013 0.011316 -0.020013 -0.008252 9C 3s -0.003726 -0.023265 0.003239 -0.027486 0.027233 0.038194 9C 4s 0.046534 0.053119 -0.006623 0.018506 0.072936 -0.153636 9C 5s 0.020362 -0.219624 -0.280156 -0.758557 0.773533 1.408371 9C 1pz -0.015754 0.015275 -0.058069 0.059822 -0.047681 0.008282 9C 1px -0.100344 -0.078492 -0.002880 0.009131 0.005702 0.008271 9C 1py 0.088088 0.004307 0.096241 -0.130229 -0.031038 0.019893 9C 2pz -0.026567 -0.017631 -0.012090 0.026390 -0.078906 0.003993 9C 2px -0.036427 -0.034012 0.001376 0.002018 -0.007889 0.003275 9C 2py 0.019287 0.001441 0.028165 -0.036957 -0.049775 0.002626 9C 3pz -0.043523 0.247287 -0.324321 0.775707 -0.716823 -0.505337 9C 3px -0.621337 -0.392009 -0.065315 -0.029769 -0.091210 -0.263528 9C 3py 0.441953 0.009975 0.776175 -0.676158 -0.506394 -0.294451 9C 1dz2 0.000832 0.000866 0.000643 0.000642 -0.005865 -0.004736 9C 1dxz 0.008881 0.005122 0.004585 -0.001058 -0.004999 -0.000883 9C 1dyz -0.002116 0.000520 0.001082 0.001694 -0.009636 -0.008999 9C 1dx2y2 -0.002751 -0.004654 0.002620 -0.007725 0.004171 0.000988 9C 1dxy -0.001774 0.003288 -0.006903 0.010352 -0.002754 -0.002371 9C 2dz2 0.015600 0.000363 0.006231 -0.025152 0.014673 0.014028 9C 2dxz 0.067590 0.033490 0.015466 -0.034132 0.003699 0.006175 9C 2dyz -0.006950 -0.027269 0.010668 -0.032425 0.029480 0.039971 9C 2dx2y2 -0.012309 -0.020258 0.020856 -0.011507 -0.004055 -0.008299 9C 2dxy -0.034966 -0.002329 -0.040628 0.052347 0.006182 0.004418 9C 1f0 -0.001857 0.001276 -0.004240 0.004622 -0.000451 0.000650 9C 1f+1 0.004065 0.001851 0.002146 -0.003008 -0.001142 -0.001415 9C 1f-1 -0.001754 -0.001210 0.001450 0.000469 -0.003659 -0.000970 9C 1f+2 -0.002882 -0.001951 0.000527 0.000753 0.001485 -0.000333 9C 1f-2 -0.004054 -0.002769 -0.001090 0.000335 -0.000324 0.002899 9C 1f+3 -0.004758 0.000407 -0.003706 0.006943 -0.001468 -0.004294 9C 1f-3 0.004323 0.003598 -0.000314 -0.000061 -0.000875 -0.002835 10H 1s -0.019396 0.014601 0.003645 0.013816 0.013599 -0.000606 10H 2s 0.071592 -0.048979 0.002905 0.091619 0.038205 -0.004663 10H 3s -0.986895 0.638228 0.072867 0.026135 0.210371 0.294069 10H 1pz 0.014369 -0.007572 0.003522 0.007506 0.004860 -0.007030 10H 1px -0.019427 0.013531 0.002314 -0.003856 0.004848 0.001633 10H 1py 0.001684 -0.003822 -0.008303 -0.002866 0.004176 -0.003426 11H 1s 0.015167 -0.002837 0.014992 0.008884 0.007322 -0.009653 11H 2s -0.143711 0.073331 -0.067517 -0.057378 0.043503 -0.081049 11H 3s 1.164705 -0.374551 1.182030 0.619438 -0.032212 0.111122 11H 1pz -0.021620 0.011246 -0.011495 -0.004416 0.008901 -0.008313 11H 1px -0.019068 0.006626 -0.019088 -0.013618 0.001649 -0.006988 11H 1py 0.015160 -0.006438 0.010271 0.006270 0.004049 -0.000498 12H 1s -0.000241 -0.007995 -0.020340 -0.019070 0.005764 -0.008682 12H 2s 0.089594 0.019513 0.117922 0.070591 0.033275 -0.093050 12H 3s -0.350816 -0.477353 -1.497756 -1.183508 0.018350 0.258852 12H 1pz -0.004140 -0.000107 -0.007634 -0.002760 0.008560 -0.003571 12H 1px 0.009796 0.003241 0.018584 0.011766 0.000568 -0.007403 12H 1py 0.008478 0.010755 0.029257 0.024545 0.005464 -0.011452 13H 1s 0.008895 -0.005414 0.008184 0.021204 0.008409 0.026409 13H 2s -0.086231 -0.043891 0.018302 0.002947 0.033095 0.102652 13H 3s 0.634969 0.102495 0.117810 0.799218 0.038427 0.421780 13H 1pz -0.010046 0.001980 -0.007492 -0.010577 0.004693 0.007226 13H 1px 0.013794 0.006422 -0.003178 0.009170 0.004855 0.008213 13H 1py 0.007975 0.007127 -0.002758 0.005240 -0.008470 -0.007644 14H 1s 0.005239 0.020425 -0.022191 -0.013049 0.012909 0.016189 14H 2s -0.072156 -0.147851 0.070651 -0.038950 0.049472 0.025821 14H 3s 0.489291 1.655545 -1.287318 -0.281190 0.143880 0.327060 14H 1pz -0.004178 -0.017985 0.010743 0.005094 0.004265 0.007507 14H 1px -0.013442 -0.036886 0.025773 0.000661 0.001547 -0.004801 14H 1py -0.002649 -0.004138 0.003167 -0.000745 -0.009405 -0.010917 15H 1s -0.011138 -0.015343 0.011954 -0.005129 0.011488 0.003478 15H 2s 0.146982 0.069529 -0.048817 0.026922 0.053929 0.076869 15H 3s -1.005427 -0.982714 1.019476 -0.269251 0.023472 -0.718464 15H 1pz -0.018800 -0.015837 0.014544 -0.003954 0.004375 -0.003087 15H 1px 0.005647 0.007874 -0.008022 -0.003116 0.003769 0.005241 15H 1py -0.022738 -0.012557 0.012548 -0.007592 -0.009248 -0.022178 16H 1s 0.011118 -0.007723 -0.001574 0.007785 -0.003542 0.012682 16H 2s 0.018923 -0.020573 -0.008233 -0.014923 0.020763 0.030268 16H 3s 0.296602 -0.207978 -0.007075 0.341823 -0.252744 0.243739 16H 1pz -0.008259 0.004717 -0.000089 -0.009784 0.005627 -0.004689 16H 1px 0.001220 -0.000755 -0.000458 0.000384 -0.001397 0.002679 16H 1py -0.004756 0.002898 0.000157 -0.003712 0.002179 -0.001993 17H 1s -0.010492 0.004869 0.005451 0.014609 -0.004526 0.008039 17H 2s -0.016003 0.007867 0.009905 0.007562 0.015449 0.021345 17H 3s -0.318735 0.164099 0.173714 0.474048 -0.264623 0.193285 17H 1pz -0.004715 0.003352 0.002933 0.007772 -0.002690 0.002227 17H 1px -0.006199 0.002941 0.002995 0.009034 -0.004867 0.003168 17H 1py 0.006000 -0.003677 -0.003032 -0.007156 0.002753 -0.002346 18H 1s -0.010355 -0.005293 0.000742 -0.015683 -0.004423 -0.007709 18H 2s -0.016371 -0.008561 0.007840 -0.010676 0.015516 -0.020340 18H 3s -0.312512 -0.177231 0.019794 -0.506438 -0.263349 -0.189468 18H 1pz 0.004735 0.003621 -0.000439 0.008477 0.002721 0.002281 18H 1px 0.006099 0.003210 -0.000061 0.009579 0.004794 0.003062 18H 1py -0.005721 -0.003812 0.000725 -0.007512 -0.002615 -0.002172 19H 1s 0.011294 0.008213 -0.004441 -0.006685 -0.003706 -0.012915 19H 2s 0.018822 0.021513 -0.004337 0.016584 0.020138 -0.032769 19H 3s 0.304108 0.219585 -0.128107 -0.315925 -0.255929 -0.242194 19H 1pz 0.008347 0.005010 -0.003278 -0.009027 -0.005627 -0.004500 19H 1px -0.001291 -0.000846 0.000617 0.000252 0.001472 0.002714 19H 1py 0.005044 0.003228 -0.001557 -0.003575 -0.002315 -0.002053 20H 1s -0.011808 0.015487 0.012455 0.001260 0.011584 -0.002472 20H 2s 0.149030 -0.070102 -0.052611 -0.007334 0.055370 -0.076132 20H 3s -1.039658 0.996431 1.014850 -0.067953 0.022194 0.731133 20H 1pz 0.019323 -0.016064 -0.014532 0.000942 -0.004276 -0.003631 20H 1px -0.005903 0.008244 0.006484 -0.005491 -0.003830 0.005317 20H 1py 0.023119 -0.012483 -0.013632 -0.002979 0.009366 -0.021953 21H 1s 0.005353 -0.021084 -0.016247 0.019108 0.012871 -0.015462 21H 2s -0.077591 0.152012 0.077409 0.015219 0.049640 -0.023027 21H 3s 0.530683 -1.705399 -1.093317 0.655951 0.139153 -0.332645 21H 1pz 0.004621 -0.018855 -0.008474 0.008119 -0.004263 0.007066 21H 1px 0.014523 -0.037783 -0.023401 0.008385 -0.001685 -0.005044 21H 1py 0.002804 -0.004361 -0.003161 0.000302 0.009419 -0.010448 22H 1s 0.009472 0.006130 0.001196 -0.022513 0.008334 -0.025711 22H 2s -0.088796 0.040901 0.013950 -0.009814 0.033123 -0.098345 22H 3s 0.679049 -0.067182 -0.126069 -0.786425 0.031305 -0.425732 22H 1pz 0.010465 0.002757 0.003904 -0.012109 -0.004757 0.006782 22H 1px -0.014561 0.005867 0.005429 0.007605 -0.004750 0.008114 22H 1py -0.008589 0.006968 0.004019 0.004139 0.008524 -0.006954 23H 1s -0.000524 0.008013 -0.013941 0.024250 0.005811 0.007672 23H 2s 0.089671 -0.017861 0.092809 -0.102147 0.034480 0.090942 23H 3s -0.368517 0.465743 -1.090487 1.582684 0.012315 -0.270652 23H 1pz 0.004247 0.000092 0.006652 -0.005036 -0.008521 -0.002867 23H 1px -0.009859 0.002652 -0.014111 0.016309 -0.000633 -0.007397 23H 1py -0.008865 0.010786 -0.021049 0.032429 -0.005677 -0.011370 24H 1s 0.015319 0.003749 0.011868 -0.012869 0.007224 0.008945 24H 2s -0.140602 -0.076409 -0.047181 0.075012 0.043422 0.079839 24H 3s 1.158075 0.432766 0.958617 -0.942693 -0.037371 -0.104813 24H 1pz 0.021223 0.012131 0.009673 -0.007411 -0.008978 -0.007783 24H 1px 0.019149 0.007466 0.014514 -0.018898 -0.001727 -0.006982 24H 1py -0.014685 -0.006872 -0.007814 0.008804 -0.004079 -0.000232 25H 1s -0.019402 -0.016053 -0.000486 -0.014607 0.013677 -0.000264 25H 2s 0.071669 0.051211 -0.029295 -0.087416 0.038442 -0.001169 25H 3s -0.993128 -0.697343 0.088274 -0.061696 0.208024 -0.284765 25H 1pz -0.014624 -0.008450 -0.000666 0.008121 -0.004847 -0.006249 25H 1px 0.019425 0.014555 -0.004186 -0.002575 -0.004773 0.001424 25H 1py -0.001431 -0.003657 0.007282 -0.005286 -0.004254 -0.002836 26O 1s 0.001678 -0.000289 -0.000929 -0.001950 -0.008343 -0.009199 26O 2s 0.003823 -0.000598 -0.001990 -0.004929 -0.019763 -0.023134 26O 3s -0.002090 -0.000383 0.000284 0.009957 0.023161 0.048531 26O 4s -0.037532 0.010882 0.026421 0.010488 0.103158 0.001721 26O 5s 0.107735 -0.069586 -0.222284 -0.015090 0.230249 0.535758 26O 1pz 0.019986 -0.018326 0.010868 -0.020327 0.048769 0.016793 26O 1px 0.022039 -0.016566 0.006216 0.015037 -0.024665 -0.001044 26O 1py -0.015748 0.011598 -0.006323 -0.008633 0.021683 0.000533 26O 2pz 0.021446 -0.023826 0.006271 -0.014816 0.045616 0.011870 26O 2px 0.019484 -0.012756 0.015443 0.002136 -0.029550 -0.010643 26O 2py -0.009728 0.008085 0.000664 -0.006642 0.017114 -0.001315 26O 3pz 0.031288 0.011664 0.067719 -0.033702 -0.005085 0.076698 26O 3px -0.018101 0.035652 0.103419 0.104681 -0.154032 -0.183507 26O 3py -0.057564 0.036719 -0.001567 -0.028098 -0.054111 -0.028205 26O 1dz2 -0.000165 -0.000119 -0.000566 -0.000184 -0.000498 0.000136 26O 1dxz 0.000596 -0.000217 0.000515 -0.000482 -0.001609 0.000733 26O 1dyz 0.000256 -0.000175 -0.000314 -0.000119 -0.001409 0.000045 26O 1dx2y2 -0.000124 0.000728 0.001416 0.001100 0.000603 -0.001409 26O 1dxy -0.000044 -0.000438 -0.000823 -0.000918 -0.000840 -0.000169 26O 2dz2 -0.004331 0.003581 -0.000733 -0.001029 -0.004285 -0.003891 26O 2dxz 0.001978 -0.001365 -0.000369 -0.001538 -0.003726 0.001104 26O 2dyz -0.000670 -0.000882 -0.001642 -0.001838 -0.001198 0.007818 26O 2dx2y2 0.003203 -0.004428 -0.004053 -0.000793 0.006816 0.009510 26O 2dxy 0.002668 -0.004269 -0.007012 -0.003056 0.003671 0.009260 26O 1f0 0.000354 -0.000141 0.000147 0.000094 -0.000562 0.000324 26O 1f+1 0.000133 -0.000084 0.000159 0.000049 0.000683 0.000473 26O 1f-1 0.000065 -0.000050 -0.000087 -0.000119 0.000246 0.000376 26O 1f+2 -0.000020 0.000053 -0.000033 0.000099 0.000547 -0.000189 26O 1f-2 -0.000233 0.000210 0.000186 0.000162 0.000582 -0.000336 26O 1f+3 0.000024 -0.000090 0.000313 0.000043 0.000894 0.000308 26O 1f-3 -0.000041 -0.000294 -0.000667 -0.000447 0.000477 0.000620 27O 1s 0.000350 -0.003347 -0.003860 -0.008587 -0.005406 0.000402 27O 2s 0.001243 -0.008308 -0.009722 -0.021336 -0.012265 0.001152 27O 3s -0.007778 0.015473 0.020690 0.041411 0.005956 -0.005545 27O 4s 0.031029 0.012653 0.001539 0.032015 0.108476 0.025031 27O 5s -0.166699 0.213439 0.129939 0.159475 0.027318 -0.171234 27O 1pz 0.033577 0.029735 -0.010038 0.018765 0.036765 -0.018789 27O 1px -0.009838 0.001208 0.004948 0.000444 -0.023235 -0.016917 27O 1py 0.005664 -0.012656 -0.002811 0.018855 -0.051290 0.009470 27O 2pz 0.023271 0.021724 -0.007090 0.013210 0.034843 -0.006643 27O 2px -0.008594 -0.007046 -0.000961 -0.004922 -0.024169 -0.026221 27O 2py 0.008313 -0.009514 0.001956 0.021955 -0.049455 0.001543 27O 3pz 0.060097 0.097986 -0.027237 0.054688 0.015870 -0.093439 27O 3px 0.070833 -0.061005 -0.000233 0.048333 -0.105755 0.127487 27O 3py -0.008649 0.008234 -0.051085 -0.039025 0.021142 0.093987 27O 1dz2 -0.000457 -0.000176 0.000391 0.000119 0.000169 -0.000279 27O 1dxz -0.000249 0.001270 -0.001119 -0.000429 -0.001202 -0.000435 27O 1dyz 0.000066 -0.000275 0.000844 0.000282 0.000570 -0.000937 27O 1dx2y2 0.000690 -0.000444 -0.000130 -0.000241 0.001051 0.001210 27O 1dxy 0.000394 0.000491 -0.000366 0.000338 0.001880 0.001907 27O 2dz2 0.001255 -0.005899 0.002177 0.002038 -0.002585 0.005879 27O 2dxz 0.000999 0.000284 -0.002209 -0.000524 -0.003490 0.000442 27O 2dyz -0.000982 -0.003593 0.001637 -0.004182 0.000056 -0.000877 27O 2dx2y2 -0.004695 0.002317 0.003599 -0.004239 0.006100 -0.005257 27O 2dxy 0.002649 -0.002388 -0.000440 0.003068 0.002914 0.005620 27O 1f0 0.000009 0.000093 -0.000356 -0.000081 -0.000647 0.000028 27O 1f+1 0.000107 0.000572 -0.000231 -0.000083 0.000474 -0.000192 27O 1f-1 -0.000035 -0.000354 0.000166 0.000052 0.000100 0.000244 27O 1f+2 -0.000040 -0.000158 0.000373 -0.000100 0.000608 0.000288 27O 1f-2 -0.000133 0.000039 -0.000321 -0.000130 -0.000031 0.000076 27O 1f+3 0.000021 0.000133 0.000291 0.000022 0.001039 0.000031 27O 1f-3 0.000320 0.000120 -0.000109 0.000350 0.000562 0.000802 28O 1s -0.002692 0.001489 0.000952 0.010704 -0.005375 -0.004476 28O 2s -0.006821 0.003731 0.002329 0.026635 -0.012237 -0.011385 28O 3s 0.015797 -0.008372 -0.004375 -0.051754 0.006700 0.027149 28O 4s -0.007297 0.004770 -0.005749 -0.035439 0.105649 -0.024301 28O 5s 0.082604 -0.008894 0.028814 -0.340201 0.048647 0.352768 28O 1pz 0.007929 0.006429 0.041188 0.004832 0.032427 0.014549 28O 1px 0.006396 -0.008859 0.008063 0.011541 0.043682 0.026059 28O 1py -0.036081 0.015998 -0.040477 -0.022521 0.043974 0.010542 28O 2pz 0.010731 -0.003697 0.030277 0.013965 0.028127 0.016797 28O 2px -0.002575 -0.001657 0.013075 -0.000224 0.041678 0.012179 28O 2py -0.021561 0.005675 -0.034074 -0.014267 0.041284 0.009966 28O 3pz -0.013938 0.042696 0.056722 -0.015002 -0.037942 -0.038643 28O 3px 0.043435 -0.012020 0.029663 -0.030097 0.108321 0.163564 28O 3py -0.079230 0.058584 -0.047873 -0.069826 0.019440 0.031676 28O 1dz2 -0.000266 0.000529 0.000343 0.000501 -0.001294 0.000177 28O 1dxz -0.000012 0.000064 -0.000300 -0.000507 -0.000068 0.000302 28O 1dyz -0.000540 0.000084 -0.000460 0.000014 -0.001296 0.000135 28O 1dx2y2 -0.000122 0.000093 -0.000266 0.000523 0.001028 -0.000968 28O 1dxy -0.000044 0.000220 0.000149 0.000537 0.000583 -0.000555 28O 2dz2 0.001960 0.000429 0.005807 0.003189 -0.003528 0.003570 28O 2dxz -0.002041 0.000812 -0.002893 0.002426 -0.003869 -0.005022 28O 2dyz -0.004661 -0.001247 -0.006559 -0.006742 -0.001654 0.006533 28O 2dx2y2 0.001037 0.000153 0.004211 -0.001152 0.005529 0.001495 28O 2dxy 0.001088 -0.000081 0.001026 0.000072 0.001828 0.001436 28O 1f0 0.000100 -0.000202 0.000080 -0.000290 0.000597 0.000089 28O 1f+1 0.000053 -0.000134 0.000323 0.000112 -0.000535 0.000455 28O 1f-1 0.000079 -0.000033 0.000283 -0.000167 0.000216 -0.000150 28O 1f+2 -0.000027 0.000154 -0.000215 0.000251 -0.000743 -0.000393 28O 1f-2 -0.000175 -0.000162 -0.000489 -0.000234 -0.000236 0.000375 28O 1f+3 -0.000024 0.000095 -0.000008 0.000154 -0.000702 -0.000013 28O 1f-3 -0.000162 0.000066 -0.000234 -0.000084 -0.000362 -0.000102 29O 1s 0.000607 -0.000926 0.000714 0.001560 -0.002125 0.003898 29O 2s 0.001442 -0.002288 0.001961 0.004632 -0.005019 0.009903 29O 3s -0.001800 0.004219 -0.006697 -0.021505 0.007385 -0.022955 29O 4s -0.007239 0.003324 0.010283 0.051137 0.025196 0.006717 29O 5s -0.000287 0.031419 -0.056148 -0.225812 0.018119 -0.200074 29O 1pz 0.052557 -0.035288 -0.012098 0.016004 -0.005177 0.011289 29O 1px 0.021304 -0.012682 -0.014291 -0.065723 0.009122 -0.031311 29O 1py -0.005288 0.005085 0.015117 0.044511 -0.025902 0.009346 29O 2pz 0.034438 -0.025429 -0.008647 0.009894 0.002655 0.008047 29O 2px 0.012099 -0.008093 -0.010221 -0.042005 -0.011294 -0.029401 29O 2py -0.003161 0.005037 0.011860 0.028699 -0.015343 0.000661 29O 3pz 0.107526 -0.071135 -0.030371 0.020011 -0.028296 0.025510 29O 3px 0.052428 -0.029181 -0.024973 -0.136534 0.090390 -0.021935 29O 3py -0.010824 -0.006100 0.020930 0.077832 -0.036460 0.069414 29O 1dz2 0.000205 -0.000072 0.000002 0.000514 0.000173 0.000531 29O 1dxz -0.000267 0.000051 0.000091 0.000713 0.000304 0.000034 29O 1dyz 0.000205 -0.000197 -0.000231 -0.000523 0.000212 0.000050 29O 1dx2y2 -0.000018 -0.000028 0.000175 -0.000093 -0.000672 -0.000075 29O 1dxy 0.000158 -0.000045 0.000142 0.000441 -0.000312 0.000096 29O 2dz2 0.002773 -0.001618 0.000217 0.004981 -0.003033 0.004047 29O 2dxz -0.003102 0.001606 0.001628 0.005387 -0.001740 0.000419 29O 2dyz 0.004918 -0.002606 -0.001391 -0.001451 -0.000046 0.001404 29O 2dx2y2 -0.001157 0.000076 0.000384 0.000249 -0.001474 -0.000067 29O 2dxy 0.001957 -0.000079 -0.000410 -0.001373 0.001452 -0.003602 29O 1f0 0.000273 -0.000243 -0.000168 -0.000387 0.000247 0.000027 29O 1f+1 0.000284 -0.000171 -0.000049 0.000017 -0.000087 -0.000158 29O 1f-1 -0.000286 0.000142 0.000023 -0.000569 0.000408 -0.000269 29O 1f+2 0.000252 -0.000120 -0.000074 -0.000015 0.000086 0.000031 29O 1f-2 0.000315 -0.000131 -0.000110 -0.000562 0.000274 -0.000146 29O 1f+3 -0.000129 0.000026 -0.000053 0.000016 0.000194 0.000041 29O 1f-3 -0.000140 0.000107 0.000023 -0.000153 -0.000040 -0.000247 30O 1s -0.001008 -0.004022 0.001951 0.003489 -0.007859 0.005911 30O 2s -0.002143 -0.009970 0.005086 0.008636 -0.018429 0.014997 30O 3s -0.001969 0.019085 -0.012261 -0.015894 0.018263 -0.033828 30O 4s 0.038271 0.011547 0.006938 -0.022303 0.114611 0.017200 30O 5s -0.011955 0.160539 -0.192837 0.032157 0.166801 -0.454164 30O 1pz 0.033193 0.036765 -0.021158 0.016683 0.018802 -0.014926 30O 1px 0.007903 0.026409 -0.005999 0.018357 0.045767 0.017307 30O 1py 0.006828 0.030118 -0.040324 -0.000897 -0.028950 0.004635 30O 2pz 0.015921 0.027908 -0.012843 0.013716 0.015063 -0.006721 30O 2px 0.011109 0.021570 -0.013542 0.008603 0.050879 0.014143 30O 2py 0.011531 0.025879 -0.039643 -0.000056 -0.022595 -0.001938 30O 3pz 0.072351 0.035899 -0.004186 0.000230 -0.073389 0.038862 30O 3px 0.024458 0.075044 -0.017504 0.092617 0.108884 -0.182398 30O 3py 0.007850 0.051070 -0.093958 0.019556 0.072621 -0.012857 30O 1dz2 0.000069 0.000565 -0.000294 -0.000072 -0.000339 -0.000281 30O 1dxz -0.000117 -0.000066 0.000053 0.000301 -0.000208 -0.000839 30O 1dyz 0.000026 -0.000108 0.000031 -0.000337 0.001655 -0.000274 30O 1dx2y2 -0.000079 -0.000073 -0.000242 -0.001030 0.001702 0.002150 30O 1dxy -0.000189 -0.000232 0.000869 -0.000214 -0.000092 -0.000628 30O 2dz2 0.002529 0.003709 -0.004077 -0.000563 -0.002740 0.006168 30O 2dxz -0.001225 -0.000984 0.000984 -0.001395 -0.005680 0.008934 30O 2dyz -0.002702 -0.007452 0.005666 -0.001245 -0.000852 0.007210 30O 2dx2y2 0.001748 0.002031 -0.004123 -0.001611 0.007569 0.000415 30O 2dxy -0.001570 -0.003924 0.001801 -0.000492 0.004279 -0.009808 30O 1f0 0.000028 0.000140 -0.000140 0.000189 0.000420 -0.000302 30O 1f+1 0.000138 0.000298 -0.000377 0.000065 -0.000455 -0.000048 30O 1f-1 -0.000139 0.000271 -0.000280 0.000023 -0.000252 0.000067 30O 1f+2 -0.000314 -0.000327 0.000163 0.000094 -0.001165 -0.000132 30O 1f-2 -0.000045 -0.000344 0.000241 -0.000106 -0.000285 0.000756 30O 1f+3 -0.000192 -0.000226 0.000253 -0.000074 -0.000867 -0.000729 30O 1f-3 -0.000087 -0.000024 -0.000122 0.000133 -0.000855 0.000260 31O 1s -0.001126 0.003985 0.000610 -0.003929 -0.007782 -0.005794 31O 2s -0.002441 0.009898 0.001759 -0.009790 -0.018238 -0.014679 31O 3s -0.001330 -0.019256 -0.006056 0.018666 0.017893 0.032737 31O 4s 0.038034 -0.009670 0.014688 0.020493 0.114471 -0.014493 31O 5s -0.000372 -0.163461 -0.188986 0.025002 0.162979 0.426855 31O 1pz -0.035412 0.037590 0.024704 0.008914 -0.019009 -0.013573 31O 1px -0.009368 0.026428 0.010795 0.015763 -0.045387 0.016987 31O 1py -0.007404 0.032151 0.037469 -0.012777 0.028625 0.003912 31O 2pz -0.017752 0.028801 0.016196 0.008971 -0.015197 -0.005873 31O 2px -0.012348 0.021382 0.014729 0.003972 -0.050527 0.013560 31O 2py -0.011945 0.027384 0.036841 -0.011972 0.022260 -0.001765 31O 3pz -0.072505 0.035963 0.002636 -0.002571 0.072316 0.039785 31O 3px -0.030048 0.074922 0.044783 0.083508 -0.107432 -0.169504 31O 3py -0.010976 0.054003 0.095332 -0.009729 -0.071698 -0.017348 31O 1dz2 0.000079 -0.000559 -0.000234 0.000164 -0.000349 0.000234 31O 1dxz -0.000097 0.000058 -0.000059 -0.000311 -0.000211 0.000827 31O 1dyz 0.000018 0.000107 0.000125 0.000321 0.001654 0.000274 31O 1dx2y2 -0.000111 0.000075 0.000111 0.001064 0.001702 -0.002057 31O 1dxy -0.000207 0.000237 0.000875 -0.000063 -0.000081 0.000588 31O 2dz2 0.002588 -0.003926 -0.003628 0.001823 -0.002706 -0.006162 31O 2dxz -0.001369 0.000896 0.001355 0.000922 -0.005638 -0.008746 31O 2dyz -0.003093 0.007523 0.005579 -0.000490 -0.000728 -0.006887 31O 2dx2y2 0.001799 -0.002105 -0.003362 0.002845 0.007536 -0.000437 31O 2dxy -0.001610 0.003997 0.001703 -0.000030 0.004263 0.009535 31O 1f0 -0.000041 0.000135 0.000188 0.000138 -0.000414 -0.000310 31O 1f+1 -0.000152 0.000314 0.000373 -0.000055 0.000453 -0.000031 31O 1f-1 0.000127 0.000288 0.000268 -0.000055 0.000254 0.000073 31O 1f+2 0.000321 -0.000316 -0.000113 0.000152 0.001164 -0.000109 31O 1f-2 0.000063 -0.000346 -0.000259 -0.000028 0.000276 0.000744 31O 1f+3 0.000202 -0.000226 -0.000253 0.000009 0.000867 -0.000700 31O 1f-3 0.000084 -0.000008 0.000161 0.000099 0.000851 0.000274 32O 1s 0.000640 0.000988 0.000109 -0.001680 -0.002143 -0.003900 32O 2s 0.001538 0.002438 0.000202 -0.004944 -0.005064 -0.009906 32O 3s -0.002211 -0.004445 0.000918 0.022267 0.007454 0.022891 32O 4s -0.006360 -0.003898 -0.006622 -0.051392 0.025288 -0.006535 32O 5s -0.004255 -0.031728 0.021930 0.230511 0.019093 0.200274 32O 1pz -0.053272 -0.037618 0.018434 0.009301 0.004907 0.011037 32O 1px -0.020294 -0.013580 -0.006910 -0.067369 -0.009302 -0.031074 32O 1py 0.002975 0.004220 0.000192 0.046361 0.025948 0.009147 32O 2pz -0.034935 -0.027094 0.012813 0.005291 -0.002773 0.008130 32O 2px -0.011515 -0.008522 -0.003251 -0.043365 0.011169 -0.029322 32O 2py 0.001626 0.004353 -0.001982 0.030481 0.015369 0.000539 32O 3pz -0.108940 -0.075201 0.038937 0.006026 0.028311 0.025740 32O 3px -0.050533 -0.031857 -0.018702 -0.138755 -0.090586 -0.020909 32O 3py 0.006862 -0.007555 0.006280 0.079452 0.036753 0.069839 32O 1dz2 0.000204 0.000066 -0.000168 -0.000514 0.000160 -0.000554 32O 1dxz -0.000272 -0.000070 -0.000134 -0.000708 0.000309 -0.000011 32O 1dyz 0.000205 0.000209 -0.000071 0.000540 0.000197 -0.000108 32O 1dx2y2 -0.000022 0.000029 0.000193 0.000037 -0.000671 0.000086 32O 1dxy 0.000163 0.000054 -0.000009 -0.000473 -0.000319 -0.000108 32O 2dz2 0.002635 0.001630 -0.001438 -0.004811 -0.003083 -0.003967 32O 2dxz -0.003130 -0.001773 -0.000095 -0.005644 -0.001689 -0.000349 32O 2dyz 0.004968 0.002862 -0.001012 0.001660 -0.000243 -0.001515 32O 2dx2y2 -0.001285 -0.000185 0.000306 -0.000404 -0.001468 0.000069 32O 2dxy 0.001872 0.000097 0.000046 0.001304 0.001366 0.003545 32O 1f0 -0.000286 -0.000264 0.000060 -0.000387 -0.000218 0.000052 32O 1f+1 -0.000279 -0.000177 0.000067 0.000027 0.000101 -0.000154 32O 1f-1 0.000267 0.000132 -0.000207 -0.000551 -0.000425 -0.000256 32O 1f+2 -0.000252 -0.000130 0.000077 -0.000019 -0.000063 0.000037 32O 1f-2 -0.000327 -0.000157 -0.000068 -0.000568 -0.000258 -0.000143 32O 1f+3 0.000120 0.000026 0.000054 -0.000013 -0.000207 0.000039 32O 1f-3 0.000147 0.000115 -0.000074 -0.000138 0.000033 -0.000246 33O 1s -0.002421 -0.001717 -0.002555 -0.010589 -0.005266 0.004323 33O 2s -0.006139 -0.004308 -0.006394 -0.026345 -0.011964 0.010965 33O 3s 0.014339 0.009674 0.012551 0.051273 0.006140 -0.025689 33O 4s -0.007251 -0.005231 0.006169 0.034877 0.105570 0.020738 33O 5s 0.071223 0.020398 0.138667 0.324711 0.043244 -0.320288 33O 1pz -0.007504 0.006026 -0.038738 0.016886 -0.032610 0.013575 33O 1px -0.006329 -0.008733 -0.004495 0.014432 -0.043608 0.027175 33O 1py 0.035948 0.017294 0.031871 -0.033635 -0.043501 0.010889 33O 2pz -0.010238 -0.003930 -0.024901 0.022491 -0.028292 0.016829 33O 2px 0.002753 -0.001487 -0.013164 0.004428 -0.041635 0.013051 33O 2py 0.021722 0.006623 0.028561 -0.024003 -0.040870 0.010910 33O 3pz 0.012897 0.043210 -0.061507 0.003785 0.036611 -0.041490 33O 3px -0.040625 -0.015103 -0.039065 -0.022169 -0.106569 0.152426 33O 3py 0.078192 0.060625 0.022278 -0.080335 -0.018849 0.025810 33O 1dz2 -0.000265 -0.000536 0.000203 -0.000577 -0.001298 -0.000105 33O 1dxz -0.000026 -0.000067 -0.000127 0.000589 -0.000079 -0.000302 33O 1dyz -0.000551 -0.000142 -0.000444 0.000105 -0.001288 -0.000130 33O 1dx2y2 -0.000081 -0.000101 -0.000424 -0.000444 0.001036 0.000881 33O 1dxy -0.000030 -0.000226 -0.000017 -0.000575 0.000584 0.000491 33O 2dz2 0.002012 -0.000341 0.004764 -0.004864 -0.003571 -0.003298 33O 2dxz -0.001842 -0.001061 -0.003465 -0.001703 -0.003825 0.004657 33O 2dyz -0.004855 0.000949 -0.004124 0.008326 -0.001732 -0.006376 33O 2dx2y2 0.000981 0.000014 0.004466 -0.000097 0.005485 -0.001294 33O 2dxy 0.001039 0.000057 0.001115 -0.000511 0.001807 -0.001473 33O 1f0 -0.000084 -0.000211 -0.000160 -0.000262 -0.000595 0.000111 33O 1f+1 -0.000047 -0.000137 -0.000275 0.000204 0.000538 0.000417 33O 1f-1 -0.000082 -0.000049 -0.000322 -0.000082 -0.000216 -0.000145 33O 1f+2 0.000017 0.000169 0.000286 0.000181 0.000735 -0.000403 33O 1f-2 0.000184 -0.000145 0.000405 -0.000376 0.000239 0.000353 33O 1f+3 0.000015 0.000100 0.000056 0.000146 0.000699 -0.000042 33O 1f-3 0.000156 0.000071 0.000204 -0.000157 0.000360 -0.000118 34O 1s 0.000058 0.003269 -0.001023 0.009372 -0.005320 -0.000277 34O 2s 0.000516 0.008136 -0.002657 0.023341 -0.012051 -0.000815 34O 3s -0.006358 -0.015419 0.006771 -0.046081 0.005555 0.004421 34O 4s 0.031885 -0.010757 -0.007796 -0.029603 0.108158 -0.022460 34O 5s -0.156613 -0.221615 0.075430 -0.202540 0.024258 0.148102 34O 1pz -0.034987 0.029007 0.014485 0.013891 -0.036931 -0.018585 34O 1px 0.010323 0.002000 -0.004009 0.001821 0.022994 -0.016237 34O 1py -0.005897 -0.012195 0.009328 0.016854 0.050988 0.008570 34O 2pz -0.024334 0.021176 0.010292 0.009624 -0.035000 -0.007135 34O 2px 0.009206 -0.006550 0.000002 -0.005234 0.023933 -0.025329 34O 2py -0.008603 -0.009243 0.005573 0.021165 0.049122 0.001444 34O 3pz -0.064583 0.098650 0.040561 0.043149 -0.015564 -0.085735 34O 3px -0.068353 -0.063584 0.015526 0.041157 0.104217 0.120876 34O 3py 0.008537 0.010211 0.036479 -0.051521 -0.021232 0.085614 34O 1dz2 -0.000464 0.000169 0.000323 -0.000248 0.000164 0.000268 34O 1dxz -0.000213 -0.001335 -0.000906 0.000725 -0.001217 0.000373 34O 1dyz 0.000065 0.000301 0.000698 -0.000510 0.000573 0.000896 34O 1dx2y2 0.000677 0.000475 -0.000038 0.000299 0.001056 -0.001206 34O 1dxy 0.000412 -0.000488 -0.000412 -0.000204 0.001880 -0.001848 34O 2dz2 0.001055 0.006133 0.001407 -0.002418 -0.002530 -0.005729 34O 2dxz 0.000980 -0.000290 -0.001867 0.001201 -0.003491 -0.000501 34O 2dyz -0.001264 0.003561 0.002722 0.003551 0.000153 0.000887 34O 2dx2y2 -0.004715 -0.002409 0.004671 0.002798 0.006046 0.005169 34O 2dxy 0.002602 0.002506 -0.001362 -0.002660 0.002943 -0.005470 34O 1f0 -0.000007 0.000105 0.000310 -0.000186 0.000643 0.000047 34O 1f+1 -0.000132 0.000580 0.000183 -0.000144 -0.000467 -0.000199 34O 1f-1 0.000048 -0.000364 -0.000135 0.000097 -0.000101 0.000234 34O 1f+2 0.000046 -0.000176 -0.000382 0.000018 -0.000607 0.000260 34O 1f-2 0.000133 0.000047 0.000264 -0.000213 0.000033 0.000074 34O 1f+3 -0.000031 0.000118 -0.000271 0.000107 -0.001031 0.000006 34O 1f-3 -0.000327 0.000112 0.000202 0.000285 -0.000563 0.000777 35O 1s 0.001793 0.000429 -0.000355 0.002161 -0.008263 0.009179 35O 2s 0.004109 0.000946 -0.000548 0.005350 -0.019563 0.023053 35O 3s -0.002684 -0.000255 -0.002514 -0.009592 0.022774 -0.047802 35O 4s -0.037384 -0.011510 0.022316 -0.018433 0.102933 -0.005025 35O 5s 0.103607 0.063917 -0.204172 0.076192 0.226450 -0.520251 35O 1pz -0.018882 -0.019438 -0.017041 -0.016331 -0.048819 0.016519 35O 1px -0.022191 -0.017696 -0.000474 0.015892 0.024354 -0.001713 35O 1py 0.014285 0.010897 0.003077 -0.009974 -0.021161 0.000176 35O 2pz -0.020219 -0.024884 -0.010490 -0.012460 -0.045666 0.012623 35O 2px -0.019139 -0.014273 -0.013507 0.005924 0.029239 -0.011946 35O 2py 0.008663 0.007136 -0.002852 -0.006225 -0.016643 -0.001339 35O 3pz -0.031305 0.007784 -0.077614 -0.013459 0.005396 0.065631 35O 3px 0.014319 0.034227 -0.065118 0.128915 0.152018 -0.179328 35O 3py 0.055470 0.036150 -0.007319 -0.028997 0.054417 -0.033314 35O 1dz2 -0.000174 0.000091 -0.000479 0.000320 -0.000503 -0.000152 35O 1dxz 0.000596 0.000275 0.000653 0.000304 -0.001620 -0.000631 35O 1dyz 0.000262 0.000179 -0.000254 0.000189 -0.001411 -0.000034 35O 1dx2y2 -0.000076 -0.000708 0.001028 -0.001480 0.000613 0.001374 35O 1dxy -0.000059 0.000442 -0.000537 0.001151 -0.000838 0.000199 35O 2dz2 -0.004359 -0.003760 -0.000262 0.001208 -0.004264 0.003968 35O 2dxz 0.001966 0.001481 0.000107 0.001573 -0.003722 -0.000960 35O 2dyz -0.000782 0.000770 -0.000875 0.002098 -0.001258 -0.007699 35O 2dx2y2 0.003037 0.004415 -0.003723 0.001875 0.006734 -0.009630 35O 2dxy 0.002598 0.004267 -0.005838 0.004920 0.003599 -0.009308 35O 1f0 -0.000352 -0.000156 -0.000117 0.000134 0.000564 0.000293 35O 1f+1 -0.000126 -0.000083 -0.000142 0.000101 -0.000680 0.000502 35O 1f-1 -0.000059 -0.000052 0.000043 -0.000138 -0.000243 0.000379 35O 1f+2 0.000020 0.000062 0.000058 0.000087 -0.000548 -0.000158 35O 1f-2 0.000228 0.000214 -0.000128 0.000206 -0.000585 -0.000309 35O 1f+3 -0.000005 -0.000086 -0.000291 0.000144 -0.000892 0.000345 35O 1f-3 0.000057 -0.000277 0.000508 -0.000619 -0.000470 0.000643 144 145 146 147 148 149 0.14921 0.15002 0.16189 0.16304 0.16417 0.18716 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s -0.000483 0.000615 -0.002427 0.000828 0.001865 -0.003929 0Rh 2s 0.001913 -0.002175 0.008370 -0.003136 -0.006818 0.012662 0Rh 3s -0.001621 0.002225 -0.008924 0.002872 0.006614 -0.014998 0Rh 4s -0.008400 0.009445 -0.036278 0.013723 0.029716 -0.054446 0Rh 5s 0.007343 -0.006381 0.022654 -0.010940 -0.021562 0.025278 0Rh 6s 0.012261 -0.020820 0.087987 -0.024327 -0.060820 0.167051 0Rh 7s 0.016218 0.108730 -0.529975 0.062270 -0.012128 -0.005953 0Rh 8s 0.032991 -0.179062 1.136098 -0.322881 0.456479 -1.286807 0Rh 1pz 0.003317 0.000200 0.005906 -0.007592 -0.004997 0.004479 0Rh 1px 0.002552 0.001980 -0.022331 -0.002093 -0.005072 -0.006396 0Rh 1py -0.000917 0.000553 -0.007502 -0.006422 0.008213 0.005918 0Rh 2pz -0.011374 -0.000693 -0.020287 0.026171 0.017233 -0.015420 0Rh 2px -0.008782 -0.006763 0.076606 0.007258 0.017446 0.021930 0Rh 2py 0.003167 -0.001911 0.025721 0.022153 -0.028334 -0.020365 0Rh 3pz 0.010123 0.000741 0.018762 -0.025908 -0.017220 0.014727 0Rh 3px 0.008459 0.005562 -0.068886 -0.008055 -0.016555 -0.019333 0Rh 3py -0.003297 0.002011 -0.022839 -0.022209 0.028460 0.019317 0Rh 4pz 0.013778 0.000284 0.022335 -0.021766 -0.013679 0.015394 0Rh 4px 0.008173 0.009861 -0.091550 -0.002469 -0.017405 -0.027992 0Rh 4py -0.001969 0.001079 -0.031614 -0.017372 0.021951 0.020218 0Rh 5pz 0.006641 0.002316 0.010869 -0.032115 -0.023524 0.014987 0Rh 5px 0.009816 0.000104 -0.029421 -0.018936 -0.015247 -0.005782 0Rh 5py -0.005308 0.003851 -0.013347 -0.030308 0.039631 0.027868 0Rh 6pz 0.076651 0.002189 -0.113153 0.280743 0.265164 -0.147884 0Rh 6px -0.109872 -0.043647 0.450219 0.300871 0.224504 0.102274 0Rh 6py 0.014288 0.004045 0.225613 0.381544 -0.387931 -0.416926 0Rh 1dz2 -0.006749 0.001319 0.011107 -0.001074 -0.000224 0.010860 0Rh 1dxz 0.007750 -0.003591 0.018856 0.000522 0.002858 0.006737 0Rh 1dyz -0.000938 0.006260 0.002180 0.001786 0.001227 0.003673 0Rh 1dx2y2 0.002233 0.003124 -0.026460 0.002895 -0.000950 -0.010573 0Rh 1dxy 0.000130 0.003442 -0.002045 0.004231 -0.000565 -0.018472 0Rh 2dz2 0.000348 -0.000093 -0.000568 -0.000276 -0.000218 -0.000043 0Rh 2dxz -0.000151 0.000062 -0.000855 0.000132 -0.000069 -0.000833 0Rh 2dyz 0.000058 -0.000587 -0.000364 -0.000241 0.000190 0.000204 0Rh 2dx2y2 -0.000011 -0.000163 0.000902 -0.000084 0.000410 0.000679 0Rh 2dxy -0.000096 -0.000402 0.000709 0.000161 -0.000165 -0.000319 0Rh 3dz2 0.010336 -0.001930 -0.016944 0.002979 0.001272 -0.018806 0Rh 3dxz -0.012914 0.005984 -0.029318 -0.001453 -0.004703 -0.008337 0Rh 3dyz 0.001355 -0.008512 -0.002286 -0.002107 -0.002897 -0.007286 0Rh 3dx2y2 -0.003839 -0.004734 0.042219 -0.004684 -0.000006 0.015597 0Rh 3dxy 0.000143 -0.004348 0.000616 -0.008009 0.001637 0.033703 0Rh 4dz2 0.013905 -0.002385 -0.022286 -0.001903 -0.002521 -0.015248 0Rh 4dxz -0.012702 0.005762 -0.036707 0.000619 -0.005225 -0.019557 0Rh 4dyz 0.002171 -0.014472 -0.007510 -0.005634 0.000409 -0.002148 0Rh 4dx2y2 -0.003435 -0.006222 0.048050 -0.004910 0.006731 0.022794 0Rh 4dxy -0.001362 -0.009233 0.011377 -0.004135 -0.000939 0.021310 0Rh 5dz2 0.009021 -0.010978 -0.019841 0.019582 0.014537 -0.051776 0Rh 5dxz -0.025936 0.010007 -0.034122 -0.002432 -0.002855 0.005420 0Rh 5dyz -0.001250 -0.020008 0.009585 0.008101 -0.010465 -0.032629 0Rh 5dx2y2 -0.007893 -0.006198 0.063741 -0.011658 -0.021120 0.026430 0Rh 5dxy 0.005622 -0.002095 -0.021622 -0.023661 0.006347 0.094329 0Rh 1f0 -0.000937 -0.000564 -0.002349 -0.001315 0.002641 0.001265 0Rh 1f+1 0.001640 0.000990 0.001495 -0.002439 -0.001216 -0.000051 0Rh 1f-1 0.002405 -0.000502 0.000015 -0.005896 0.001637 0.001079 0Rh 1f+2 -0.004715 -0.000914 0.003064 0.004544 0.004508 -0.000440 0Rh 1f-2 -0.001880 0.002085 0.000979 -0.001610 0.005070 0.000218 0Rh 1f+3 0.002331 -0.000353 0.003682 -0.000545 -0.003899 -0.000568 0Rh 1f-3 -0.000314 -0.001126 0.001946 -0.001999 0.003022 -0.000176 1Rh 1s 0.000492 0.000592 -0.002645 -0.000591 -0.001654 -0.004139 1Rh 2s -0.001944 -0.002109 0.009179 0.002313 0.006089 0.013460 1Rh 3s 0.001656 0.002137 -0.009690 -0.002002 -0.005839 -0.015723 1Rh 4s 0.008537 0.009167 -0.039809 -0.010155 -0.026553 -0.057945 1Rh 5s -0.007418 -0.006320 0.025325 0.008674 0.019571 0.028105 1Rh 6s -0.012643 -0.019703 0.094794 0.015818 0.053202 0.173132 1Rh 7s -0.016447 0.112943 -0.530469 -0.010643 0.058892 -0.011811 1Rh 8s -0.035673 -0.230932 1.115354 0.213882 -0.555059 -1.240087 1Rh 1pz 0.003442 0.000146 -0.006834 -0.007019 -0.004468 -0.004164 1Rh 1px 0.002200 -0.001865 0.021595 -0.004034 -0.006831 0.006056 1Rh 1py -0.001038 -0.000459 0.007456 -0.007103 0.007593 -0.006014 1Rh 2pz -0.011802 -0.000497 0.023490 0.024204 0.015419 0.014335 1Rh 2px -0.007573 0.006361 -0.074071 0.013918 0.023478 -0.020757 1Rh 2py 0.003585 0.001591 -0.025564 0.024488 -0.026207 0.020697 1Rh 3pz 0.010540 0.000356 -0.021961 -0.024098 -0.015551 -0.013700 1Rh 3px 0.007296 -0.005071 0.066417 -0.014011 -0.021956 0.018121 1Rh 3py -0.003660 -0.001729 0.022725 -0.024301 0.026581 -0.019649 1Rh 4pz 0.014159 0.001013 -0.024881 -0.019569 -0.011644 -0.014289 1Rh 4px 0.007010 -0.009897 0.089284 -0.010555 -0.024711 0.027185 1Rh 4py -0.002509 -0.000673 0.031315 -0.020172 0.019295 -0.020483 1Rh 5pz 0.007093 -0.001416 -0.015106 -0.031069 -0.022604 -0.013939 1Rh 5px 0.008878 0.001293 0.026431 -0.021232 -0.017349 0.003924 1Rh 5py -0.005472 -0.003652 0.013487 -0.031683 0.038604 -0.028303 1Rh 6pz 0.073621 -0.001880 0.157161 0.267465 0.254027 0.122977 1Rh 6px -0.102441 0.024310 -0.400986 0.338007 0.258304 -0.061239 1Rh 6py 0.018835 -0.002305 -0.216467 0.402640 -0.369575 0.425096 1Rh 1dz2 0.006431 0.001501 0.011341 0.000171 -0.000681 0.010934 1Rh 1dxz -0.007953 -0.004058 0.018291 -0.002142 -0.004305 0.006753 1Rh 1dyz 0.000654 0.006450 0.001941 -0.002018 -0.001337 0.003670 1Rh 1dx2y2 -0.001944 0.003479 -0.026585 -0.000415 0.003174 -0.010593 1Rh 1dxy -0.000231 0.003045 -0.002394 -0.004054 0.000721 -0.018488 1Rh 2dz2 -0.000336 -0.000107 -0.000526 0.000323 0.000265 -0.000038 1Rh 2dxz 0.000164 0.000072 -0.000856 -0.000056 0.000135 -0.000804 1Rh 2dyz -0.000022 -0.000587 -0.000358 0.000273 -0.000166 0.000212 1Rh 2dx2y2 0.000005 -0.000178 0.000874 0.000003 -0.000488 0.000659 1Rh 2dxy 0.000099 -0.000385 0.000701 -0.000229 0.000110 -0.000335 1Rh 3dz2 -0.009835 -0.002189 -0.017519 -0.001609 0.000107 -0.018957 1Rh 3dxz 0.013210 0.006756 -0.028328 0.003963 0.006952 -0.008481 1Rh 3dyz -0.001009 -0.008842 -0.001895 0.002377 0.002989 -0.007311 1Rh 3dx2y2 0.003363 -0.005288 0.042551 0.000710 -0.003539 0.015710 1Rh 3dxy 0.000021 -0.003720 0.001256 0.007983 -0.001678 0.033791 1Rh 4dz2 -0.013344 -0.002815 -0.022085 0.003735 0.004345 -0.015251 1Rh 4dxz 0.013150 0.006539 -0.035851 0.002558 0.008044 -0.019190 1Rh 4dyz -0.001395 -0.014736 -0.007074 0.006360 0.000032 -0.002046 1Rh 4dx2y2 0.002961 -0.006904 0.047805 0.000448 -0.010789 0.022513 1Rh 4dxy 0.001520 -0.008468 0.011759 0.003068 0.000053 0.021129 1Rh 5dz2 -0.007788 -0.011137 -0.023245 -0.018047 -0.012976 -0.052818 1Rh 5dxz 0.026211 0.011628 -0.032942 0.005280 0.005477 0.003478 1Rh 5dyz 0.001662 -0.020949 0.009662 -0.008896 0.009823 -0.032994 1Rh 5dx2y2 0.006791 -0.006880 0.066635 0.005706 0.015993 0.028443 1Rh 5dxy -0.005140 -0.001442 -0.019696 0.025884 -0.004624 0.095370 1Rh 1f0 -0.001019 0.000577 0.002387 -0.001527 0.002455 -0.001317 1Rh 1f+1 0.001730 -0.000848 -0.001767 -0.002306 -0.001095 0.000155 1Rh 1f-1 0.002367 0.000841 -0.000360 -0.005882 0.001663 -0.001041 1Rh 1f+2 -0.004688 0.000597 -0.002377 0.004782 0.004719 0.000403 1Rh 1f-2 -0.001757 -0.002049 -0.000768 -0.001529 0.005114 -0.000237 1Rh 1f+3 0.002381 0.000455 -0.003932 -0.000202 -0.003580 0.000718 1Rh 1f-3 -0.000324 0.001192 -0.001896 -0.001840 0.003183 0.000215 2C 1s -0.006255 0.004391 0.000305 -0.002543 -0.000225 0.000733 2C 2s -0.014459 0.010084 0.000618 -0.005481 -0.000668 0.001180 2C 3s 0.045697 -0.012839 0.004062 -0.014620 0.004962 0.013443 2C 4s -0.154169 0.033463 0.011914 0.081537 -0.050381 -0.088421 2C 5s 2.290782 -3.288182 -0.717088 1.491066 0.608816 -0.885801 2C 1pz -0.010900 -0.030766 -0.032370 0.102304 0.021255 -0.024374 2C 1px -0.032319 -0.022624 -0.045739 0.065341 0.016236 -0.059891 2C 1py 0.058972 -0.017413 -0.019592 0.041866 -0.015600 0.021411 2C 2pz 0.029738 -0.124668 -0.029604 0.132914 0.011641 -0.057914 2C 2px -0.009611 -0.027074 -0.032516 0.052311 0.016924 -0.009077 2C 2py 0.029874 -0.079128 -0.030670 0.079736 0.009845 -0.004870 2C 3pz 0.927780 -1.520785 -0.677224 1.487440 0.488410 -0.316199 2C 3px 0.067116 -0.380589 -0.210944 0.310647 0.219825 0.043405 2C 3py 1.183907 -1.065544 -0.416669 0.841053 0.021903 -0.027877 2C 1dz2 -0.009834 0.009306 0.005947 -0.009504 -0.002783 -0.003311 2C 1dxz -0.009923 0.005317 -0.001102 -0.002141 0.003360 0.002679 2C 1dyz -0.014557 0.014584 0.008681 -0.014169 -0.005841 -0.004377 2C 1dx2y2 0.003865 -0.004858 -0.001360 0.005389 0.001259 -0.004758 2C 1dxy 0.000109 0.002614 -0.000392 -0.002355 -0.002711 0.002678 2C 2dz2 0.029927 -0.032418 0.002116 -0.004633 -0.001306 0.011809 2C 2dxz -0.003440 -0.030892 -0.014650 0.022999 0.008570 -0.039447 2C 2dyz 0.042467 -0.044241 0.006035 -0.008194 0.010075 0.033716 2C 2dx2y2 -0.007875 0.023088 0.004464 -0.006396 -0.001019 0.020914 2C 2dxy 0.026368 -0.009051 -0.001928 -0.002922 -0.003943 0.010634 2C 1f0 -0.000866 0.000201 0.000458 -0.000103 0.000390 0.001685 2C 1f+1 0.003349 -0.001233 0.000443 -0.001662 0.000394 0.004526 2C 1f-1 0.002944 -0.005149 -0.001561 0.003507 0.000369 -0.002213 2C 1f+2 0.000380 0.000496 -0.000494 -0.000953 0.000055 -0.003203 2C 1f-2 -0.003209 -0.001040 -0.002292 0.005409 0.000377 -0.003516 2C 1f+3 0.002823 -0.003114 -0.000456 -0.001159 0.001487 0.001817 2C 1f-3 0.002671 0.000025 0.001768 -0.003580 0.000000 0.006380 3C 1s -0.003642 -0.003196 -0.000259 0.000069 -0.001200 0.000944 3C 2s -0.008515 -0.007352 -0.000683 0.000303 -0.002527 0.001839 3C 3s 0.031768 0.006900 0.009036 -0.001484 -0.020850 0.005961 3C 4s -0.121719 -0.036696 -0.009996 0.031561 0.089120 -0.044953 3C 5s 1.594972 3.272864 -0.413036 -0.564661 1.211335 -0.830636 3C 1pz -0.014262 -0.000310 0.000906 0.015563 0.002332 0.038700 3C 1px 0.000568 0.026238 -0.027031 -0.012554 0.046750 -0.013270 3C 1py 0.001132 -0.031423 0.048645 0.017142 -0.117141 0.042136 3C 2pz 0.013551 0.063011 -0.020851 -0.009976 0.047116 0.022030 3C 2px 0.013817 0.051365 -0.009105 -0.016274 0.053636 -0.016343 3C 2py -0.010491 -0.113765 0.038173 0.019060 -0.137544 0.055875 3C 3pz 0.251329 0.864005 -0.261293 0.037627 0.564844 -0.374526 3C 3px 0.299988 0.645512 -0.205592 -0.195104 0.452631 -0.017462 3C 3py -0.800834 -1.578930 0.592954 0.467152 -1.320798 0.125292 3C 1dz2 0.002896 0.002374 -0.001384 -0.001577 0.001343 0.004214 3C 1dxz -0.003250 -0.004501 0.004560 0.001011 -0.003252 -0.002670 3C 1dyz 0.010091 0.013079 -0.004685 -0.006478 0.012100 0.000754 3C 1dx2y2 0.004817 0.009795 -0.003018 -0.000177 0.006898 -0.002612 3C 1dxy 0.004879 0.007884 -0.004363 -0.000630 0.004138 0.002755 3C 2dz2 0.000916 -0.008872 0.000095 -0.003282 0.004665 -0.003479 3C 2dxz 0.016908 0.027963 -0.006687 -0.005121 0.001748 0.006060 3C 2dyz -0.036813 -0.031268 -0.019934 0.006545 0.024167 -0.045782 3C 2dx2y2 -0.019281 -0.040011 0.003588 0.007606 -0.007561 0.014323 3C 2dxy -0.020927 -0.035160 0.004659 0.007158 -0.011137 0.016215 3C 1f0 -0.002932 -0.004406 0.001431 0.001119 -0.002121 0.002958 3C 1f+1 0.000084 -0.001221 0.002074 0.000495 -0.001697 0.002555 3C 1f-1 -0.003120 -0.000900 -0.001338 0.000024 0.003418 -0.004219 3C 1f+2 0.002344 -0.001307 0.002577 0.000307 -0.005227 0.001238 3C 1f-2 0.000274 -0.001357 -0.000131 0.000119 -0.002481 -0.000018 3C 1f+3 0.002301 0.003355 0.000203 -0.000515 -0.000834 0.003066 3C 1f-3 -0.001847 -0.000664 -0.002158 0.000481 0.003185 -0.004355 4C 1s 0.015153 -0.016541 -0.018633 0.026373 0.005224 -0.000113 4C 2s 0.033397 -0.036290 -0.041533 0.059331 0.011663 -0.002045 4C 3s -0.053215 0.024641 0.072700 -0.084862 -0.016972 0.033562 4C 4s -0.169951 0.329618 0.200833 -0.317598 -0.067961 -0.191506 4C 5s -1.269151 2.460521 0.785804 -3.040819 -0.533514 2.182956 4C 1pz 0.102824 -0.078615 -0.001199 0.033718 -0.003812 0.025550 4C 1px 0.020223 -0.015413 -0.016448 0.019687 0.008439 0.027429 4C 1py 0.009337 -0.045131 -0.012691 0.040613 0.050578 -0.010916 4C 2pz 0.241890 -0.190683 -0.004979 0.029960 -0.013674 -0.001344 4C 2px 0.036544 0.002129 -0.073040 -0.007260 0.043311 0.304369 4C 2py 0.068560 -0.087889 -0.037726 0.026714 0.101340 0.032784 4C 3pz 1.105247 -1.818356 -0.555836 1.016608 0.316125 -0.520489 4C 3px 0.094622 -0.201528 -0.391575 0.287808 0.224429 0.519174 4C 3py 0.640264 -1.194155 -0.470797 0.729625 0.126721 0.030691 4C 1dz2 -0.000284 -0.002233 -0.000258 0.002852 -0.001092 0.002064 4C 1dxz 0.001226 -0.000889 0.004450 -0.005748 -0.002402 0.001973 4C 1dyz -0.002767 -0.001814 -0.001321 0.010468 0.001027 -0.006540 4C 1dx2y2 -0.000594 0.001194 -0.003382 0.007972 -0.001112 -0.007164 4C 1dxy 0.000207 0.000203 -0.000909 0.005249 -0.001680 -0.004970 4C 2dz2 -0.006093 0.028831 0.008100 -0.008796 -0.006405 -0.056390 4C 2dxz -0.006178 0.036522 0.003359 -0.029232 0.013830 0.101300 4C 2dyz -0.010022 0.041034 -0.012812 -0.001852 -0.008534 -0.021181 4C 2dx2y2 0.020005 -0.023214 -0.016922 0.013295 0.000500 0.007015 4C 2dxy 0.000760 0.012805 -0.027856 -0.001559 0.009870 0.080106 4C 1f0 -0.001152 -0.001755 0.000004 0.000573 0.001342 -0.001795 4C 1f+1 -0.000128 -0.002113 -0.000962 -0.001415 0.002055 0.003363 4C 1f-1 0.002689 -0.006827 -0.000750 0.003479 0.000180 -0.004130 4C 1f+2 -0.001914 0.003171 0.000826 0.000752 -0.001426 -0.004508 4C 1f-2 0.001054 -0.001744 -0.002299 0.001206 -0.000184 0.006209 4C 1f+3 -0.001286 -0.000846 0.000023 0.000676 0.001910 -0.003436 4C 1f-3 0.002196 -0.001926 0.000687 -0.001540 -0.002617 -0.003542 5C 1s 0.008060 0.016708 -0.017905 -0.004707 0.023093 -0.002041 5C 2s 0.017408 0.036664 -0.040090 -0.010420 0.052075 -0.006265 5C 3s -0.024925 -0.031969 0.078890 0.010543 -0.073216 0.027337 5C 4s -0.116870 -0.299881 0.151749 0.088649 -0.274010 -0.089650 5C 5s -0.535851 -2.261970 0.674132 0.556990 -2.841108 2.256793 5C 1pz 0.051544 0.037385 -0.005123 -0.040668 0.023139 0.023668 5C 1px 0.022188 0.029733 0.008904 -0.009264 0.029407 -0.015123 5C 1py -0.040566 -0.070404 -0.001874 0.000289 -0.018799 -0.013362 5C 2pz 0.123766 0.089540 -0.052509 -0.065426 0.003829 0.119986 5C 2px 0.081300 0.048215 0.109359 -0.061389 0.017160 -0.112988 5C 2py -0.131156 -0.176614 0.034243 -0.007871 0.013237 -0.082428 5C 3pz 0.405320 1.157322 -0.390956 -0.048739 0.505413 0.126286 5C 3px 0.255429 0.695534 0.119694 -0.140458 0.457940 -0.550708 5C 3py -0.707628 -1.866982 0.564956 0.323830 -0.872483 0.064684 5C 1dz2 0.002165 0.000284 0.003503 -0.001966 -0.006989 0.005253 5C 1dxz 0.000904 0.000557 0.001976 -0.000896 -0.004874 0.006833 5C 1dyz 0.004692 -0.000838 0.002762 0.001071 -0.012833 0.007651 5C 1dx2y2 -0.001584 -0.002234 -0.004247 -0.001231 0.002953 -0.002765 5C 1dxy 0.000733 0.000071 -0.000248 0.000095 -0.000576 -0.000668 5C 2dz2 -0.000535 0.001085 0.001621 0.004792 0.003455 -0.000540 5C 2dxz -0.004545 -0.028695 0.030820 -0.000163 -0.010678 -0.032791 5C 2dyz 0.011907 0.025146 0.047372 -0.018231 -0.007700 -0.008793 5C 2dx2y2 0.027676 0.045948 0.005849 -0.008882 0.020177 -0.013347 5C 2dxy 0.006326 0.038184 -0.041920 0.002563 0.016959 0.048284 5C 1f0 -0.001470 -0.003630 0.002303 0.001401 -0.003109 -0.001679 5C 1f+1 -0.001551 0.000632 -0.001245 0.002356 -0.001639 0.001298 5C 1f-1 0.000526 -0.000271 0.000923 -0.000193 0.000835 -0.001952 5C 1f+2 0.000062 -0.004296 0.000863 -0.001369 -0.001950 0.001224 5C 1f-2 -0.001945 -0.003261 -0.003037 0.001895 0.000561 0.002656 5C 1f+3 0.001435 0.003999 0.000040 -0.000896 0.000240 -0.000603 5C 1f-3 -0.001941 -0.002007 0.001314 0.001415 0.000885 -0.001312 6C 1s -0.008430 0.017270 -0.019323 0.006326 -0.021541 -0.001912 6C 2s -0.018199 0.037938 -0.043300 0.014039 -0.048605 -0.006002 6C 3s 0.024719 -0.034392 0.083608 -0.017619 0.066754 0.027369 6C 4s 0.127413 -0.302547 0.166766 -0.102289 0.258331 -0.094201 6C 5s 0.608380 -2.325075 0.864825 -0.618051 2.784295 2.265950 6C 1pz 0.053334 -0.035089 0.004486 -0.042139 0.022588 -0.024440 6C 1px 0.023569 -0.029331 -0.006475 -0.008741 0.030322 0.017191 6C 1py -0.043221 0.073773 -0.000293 -0.000442 -0.019164 0.013191 6C 2pz 0.126715 -0.086702 0.049126 -0.072644 -0.000293 -0.121118 6C 2px 0.086232 -0.044664 -0.110914 -0.051816 0.025635 0.115142 6C 2py -0.136633 0.182118 -0.035998 -0.006217 0.015219 0.081619 6C 3pz 0.446592 -1.171803 0.432624 -0.087109 0.474073 -0.132198 6C 3px 0.289205 -0.701789 -0.088284 -0.132136 0.468512 0.578933 6C 3py -0.776218 1.893334 -0.616387 0.383476 -0.827757 -0.060917 6C 1dz2 -0.002267 0.000045 0.004138 0.001707 0.006667 0.005190 6C 1dxz -0.000980 0.000499 0.002415 0.000736 0.004712 0.006927 6C 1dyz -0.004728 -0.001083 0.003589 -0.001335 0.012592 0.007705 6C 1dx2y2 0.001722 -0.002116 -0.004280 0.001629 -0.002566 -0.002662 6C 1dxy -0.000716 0.000008 -0.000240 -0.000083 0.000575 -0.000820 6C 2dz2 0.000735 0.000545 0.000778 -0.004908 -0.003580 -0.001113 6C 2dxz 0.005010 -0.029769 0.031533 -0.002887 0.008450 -0.032952 6C 2dyz -0.013889 0.024486 0.048763 0.013842 0.004018 -0.008683 6C 2dx2y2 -0.030029 0.045172 0.004914 0.008666 -0.020081 -0.012309 6C 2dxy -0.006585 0.038585 -0.043489 0.001508 -0.014007 0.048154 6C 1f0 -0.001571 0.003591 -0.002418 0.001657 -0.002932 0.001692 6C 1f+1 -0.001585 -0.000791 0.001313 0.002274 -0.001716 -0.001273 6C 1f-1 0.000545 0.000391 -0.000866 -0.000127 0.000886 0.001919 6C 1f+2 -0.000077 0.004478 -0.001146 -0.001306 -0.001869 -0.001246 6C 1f-2 -0.002169 0.003206 0.003173 0.001612 0.000336 -0.002653 6C 1f+3 0.001570 -0.003940 -0.000051 -0.000859 0.000239 0.000582 6C 1f-3 -0.001999 0.001866 -0.001186 0.001552 0.000992 0.001199 7C 1s -0.013862 -0.017381 -0.021570 -0.024654 -0.003732 0.000084 7C 2s -0.030539 -0.038112 -0.048114 -0.055498 -0.008341 -0.001625 7C 3s 0.050065 0.027574 0.081968 0.078119 0.010992 0.033875 7C 4s 0.149542 0.339156 0.237797 0.298748 0.053041 -0.199962 7C 5s 1.121346 2.519518 1.110753 2.973897 0.473991 2.178520 7C 1pz 0.098431 0.085258 0.005698 0.033499 -0.003728 -0.026518 7C 1px 0.018834 0.016897 0.019322 0.018138 0.007196 -0.025553 7C 1py 0.007109 0.047608 0.020433 0.040239 0.049200 0.011395 7C 2pz 0.232230 0.207791 0.010962 0.029828 -0.014028 0.000377 7C 2px 0.035096 0.002824 0.074979 -0.015867 0.037172 -0.302303 7C 2py 0.063419 0.097206 0.049315 0.025360 0.097742 -0.031232 7C 3pz 1.004198 1.892848 0.686432 0.971732 0.267105 0.510936 7C 3px 0.075758 0.207028 0.429960 0.249848 0.189803 -0.490800 7C 3py 0.579941 1.245750 0.555936 0.691604 0.085498 -0.022447 7C 1dz2 0.000407 -0.002244 -0.000409 -0.002779 0.001094 0.002072 7C 1dxz -0.001299 -0.001021 0.005109 0.005369 0.002034 0.002145 7C 1dyz 0.002927 -0.001389 -0.002270 -0.010374 -0.000904 -0.006598 7C 1dx2y2 0.000650 0.001382 -0.003923 -0.007584 0.001373 -0.007123 7C 1dxy -0.000175 0.000407 -0.001199 -0.005110 0.001761 -0.004838 7C 2dz2 0.004884 0.029951 0.009327 0.007610 0.005422 -0.057390 7C 2dxz 0.004494 0.036363 0.005152 0.029506 -0.014409 0.101564 7C 2dyz 0.008521 0.042107 -0.011392 0.003244 0.009574 -0.021712 7C 2dx2y2 -0.018985 -0.024636 -0.018623 -0.011881 0.001262 0.006741 7C 2dxy -0.001023 0.012141 -0.027994 0.004733 -0.007276 0.080197 7C 1f0 -0.001252 0.001684 0.000126 0.000553 0.001355 0.001794 7C 1f+1 -0.000285 0.002192 0.000976 -0.001490 0.002015 -0.003444 7C 1f-1 0.002343 0.006977 0.001128 0.003454 0.000114 0.004098 7C 1f+2 -0.001712 -0.003361 -0.000941 0.000780 -0.001422 0.004509 7C 1f-2 0.000935 0.001820 0.002369 0.000937 -0.000374 -0.006314 7C 1f+3 -0.001368 0.000806 0.000200 0.000743 0.001923 0.003391 7C 1f-3 0.002105 0.001999 -0.000960 -0.001445 -0.002501 0.003537 8C 1s 0.003795 -0.003363 -0.000182 -0.000017 0.001236 0.000936 8C 2s 0.008867 -0.007721 -0.000517 -0.000185 0.002621 0.001823 8C 3s -0.032384 0.007264 0.010286 0.000709 0.019824 0.005811 8C 4s 0.123659 -0.035499 -0.015449 -0.031709 -0.087247 -0.043453 8C 5s -1.722878 3.310421 -0.493634 0.612296 -1.184196 -0.840634 8C 1pz -0.014270 -0.004707 0.000427 0.016325 0.002684 -0.038563 8C 1px 0.000599 -0.027295 0.029994 -0.014940 0.045523 0.013631 8C 1py 0.000646 0.031184 -0.055916 0.022020 -0.112207 -0.041508 8C 2pz 0.015801 -0.064844 0.023887 -0.011941 0.045285 -0.023080 8C 2px 0.015459 -0.051614 0.012379 -0.017309 0.053415 0.017414 8C 2py -0.014156 0.115305 -0.047447 0.022925 -0.133631 -0.055102 8C 3pz 0.277777 -0.916214 0.313533 0.020952 0.544987 0.384281 8C 3px 0.319630 -0.652462 0.228795 -0.212072 0.435891 -0.007380 8C 3py -0.857714 1.595479 -0.670424 0.529778 -1.269859 -0.132238 8C 1dz2 -0.003016 0.002335 -0.001378 0.001771 -0.001236 0.004240 8C 1dxz 0.003431 -0.004684 0.004747 -0.001550 0.002872 -0.002648 8C 1dyz -0.010547 0.013059 -0.005231 0.006969 -0.011692 0.000713 8C 1dx2y2 -0.005126 0.010290 -0.003667 0.000384 -0.006679 -0.002727 8C 1dxy -0.005082 0.008279 -0.004687 0.000937 -0.003740 0.002927 8C 2dz2 -0.000567 -0.010131 -0.000209 0.003595 -0.004645 -0.003442 8C 2dxz -0.017651 0.028163 -0.006804 0.005738 -0.001457 0.005848 8C 2dyz 0.038685 -0.031602 -0.021793 -0.004880 -0.022541 -0.045765 8C 2dx2y2 0.020654 -0.039390 0.003712 -0.007877 0.006929 0.013727 8C 2dxy 0.022175 -0.034637 0.005585 -0.007780 0.010957 0.016637 8C 1f0 -0.003089 0.004325 -0.001561 0.001253 -0.001965 -0.002927 8C 1f+1 0.000178 0.001192 -0.002187 0.000674 -0.001602 -0.002576 8C 1f-1 -0.003171 0.000879 0.001549 -0.000093 0.003271 0.004191 8C 1f+2 0.002344 0.001386 -0.002882 0.000524 -0.004957 -0.001147 8C 1f-2 0.000277 0.001350 -0.000091 0.000100 -0.002540 -0.000054 8C 1f+3 0.002473 -0.003492 -0.000296 -0.000499 -0.000823 -0.003043 8C 1f-3 -0.001904 0.000641 0.002434 0.000285 0.002994 0.004384 9C 1s 0.005949 0.004827 0.000643 0.002582 0.000205 0.000786 9C 2s 0.013771 0.011117 0.001386 0.005577 0.000634 0.001298 9C 3s -0.044933 -0.017046 0.004079 0.013938 -0.005569 0.013108 9C 4s 0.153063 0.049810 0.011982 -0.082753 0.051008 -0.088745 9C 5s -2.117747 -3.467357 -0.934098 -1.440853 -0.551156 -0.887399 9C 1pz -0.012818 0.028801 0.041929 0.098088 0.018178 0.023172 9C 1px -0.034233 0.020943 0.051591 0.061605 0.012439 0.059560 9C 1py 0.056148 0.019930 0.024260 0.041452 -0.016260 -0.020028 9C 2pz 0.023829 0.125213 0.042235 0.129508 0.008752 0.056196 9C 2px -0.011120 0.026641 0.037390 0.049378 0.014210 0.009374 9C 2py 0.024928 0.080693 0.039639 0.078094 0.007966 0.005112 9C 3pz 0.834567 1.578259 0.858592 1.426893 0.430474 0.324270 9C 3px 0.040038 0.393429 0.256632 0.291252 0.202956 -0.072370 9C 3py 1.117696 1.142447 0.514421 0.808448 -0.006610 0.015588 9C 1dz2 0.009077 0.009907 0.007142 0.008939 0.002326 -0.003191 9C 1dxz 0.009599 0.005760 -0.001051 0.002196 -0.003250 0.002648 9C 1dyz 0.013723 0.015720 0.010616 0.013401 0.005082 -0.004605 9C 1dx2y2 -0.003476 -0.005065 -0.002036 -0.005361 -0.001270 -0.004960 9C 1dxy -0.000211 0.002649 0.000102 0.002394 0.002734 0.002459 9C 2dz2 -0.028655 -0.034063 0.002444 0.004889 0.001224 0.012909 9C 2dxz 0.004815 -0.031139 -0.017107 -0.021967 -0.007138 -0.039928 9C 2dyz -0.040079 -0.048271 0.004842 0.007228 -0.010735 0.033681 9C 2dx2y2 0.007363 0.024337 0.005280 0.006418 0.000521 0.021266 9C 2dxy -0.025482 -0.010723 -0.002152 0.002762 0.003720 0.010483 9C 1f0 -0.000872 -0.000366 -0.000509 -0.000152 0.000394 -0.001794 9C 1f+1 0.003203 0.001418 -0.000471 -0.001602 0.000459 -0.004554 9C 1f-1 0.002732 0.005344 0.001930 0.003350 0.000253 0.002118 9C 1f+2 0.000558 -0.000415 0.000349 -0.001129 0.000041 0.003088 9C 1f-2 -0.003200 0.000785 0.002715 0.005155 0.000154 0.003547 9C 1f+3 0.002599 0.003451 0.000551 -0.001103 0.001441 -0.001681 9C 1f-3 0.002801 0.000338 -0.002018 -0.003525 0.000204 -0.006527 10H 1s 0.019499 -0.016688 0.001769 0.014351 -0.005244 -0.016689 10H 2s 0.066251 -0.096758 -0.039821 0.092949 -0.026005 -0.229929 10H 3s 0.144851 0.119657 0.094197 0.239042 -0.122189 0.198309 10H 1pz 0.006079 -0.013647 -0.009759 0.013482 0.005421 -0.012897 10H 1px 0.002501 0.002077 0.000176 0.004619 0.002160 0.016653 10H 1py 0.010025 -0.009332 -0.006503 0.008596 -0.000122 -0.002967 11H 1s 0.002336 -0.015881 -0.013763 0.023835 0.016781 0.001275 11H 2s 0.098402 -0.017796 0.016097 -0.050553 0.048739 0.169953 11H 3s -0.822652 -0.049223 -0.441070 0.831176 0.425114 -0.422275 11H 1pz 0.020740 -0.007404 0.003019 -0.004609 -0.001112 0.012178 11H 1px 0.014947 0.001307 0.005066 -0.014105 -0.002362 0.020869 11H 1py -0.001311 -0.008167 -0.008157 0.016058 0.003293 -0.004683 12H 1s 0.018390 -0.016162 -0.014774 0.018838 0.002888 0.015813 12H 2s 0.060896 -0.049804 -0.032447 0.008924 0.031422 0.158097 12H 3s 0.359057 -0.050933 -0.298851 0.402871 -0.211962 0.176320 12H 1pz 0.011042 -0.011085 -0.006212 0.013359 0.002360 -0.002177 12H 1px -0.002862 -0.000187 0.000575 -0.003368 0.005751 0.009060 12H 1py 0.004609 -0.006373 0.001812 -0.003098 0.004127 0.005697 13H 1s 0.005386 0.013256 -0.013364 0.002076 0.007631 0.008615 13H 2s 0.047224 0.087820 -0.115165 0.001430 0.043512 -0.019136 13H 3s -0.255540 -0.143664 -0.108896 0.206338 0.206825 0.135468 13H 1pz 0.005862 0.010704 -0.006152 -0.000964 0.003672 -0.008495 13H 1px -0.001949 0.001311 0.000412 0.001117 0.007289 0.000652 13H 1py -0.008957 -0.013124 0.007788 0.005246 -0.011320 0.002970 14H 1s 0.006578 0.017795 -0.001869 -0.001611 0.017921 -0.010421 14H 2s 0.056636 0.052905 0.024665 -0.006508 0.032759 -0.075501 14H 3s -0.231691 0.064284 -0.158343 0.071986 0.312588 0.004446 14H 1pz 0.004861 0.005918 -0.001190 0.000972 0.001038 -0.005863 14H 1px 0.008515 0.002026 0.004754 -0.003132 -0.003095 -0.002606 14H 1py -0.006196 -0.010274 0.006496 0.003891 -0.010155 -0.003106 15H 1s 0.011871 0.017825 -0.009111 -0.014042 0.024061 0.001647 15H 2s 0.080794 0.018295 0.058580 -0.041749 -0.071642 0.188305 15H 3s 0.043704 0.146425 -0.463192 -0.383254 0.948462 -0.206866 15H 1pz 0.000258 0.008915 -0.011598 -0.003603 0.020701 -0.010542 15H 1px 0.003135 0.002201 0.003384 -0.000478 -0.002563 0.004569 15H 1py -0.008833 -0.005167 -0.006469 -0.001311 0.012582 -0.017174 16H 1s -0.015721 0.001840 -0.010979 0.016923 0.001290 -0.009729 16H 2s -0.060825 -0.013453 0.026563 0.063633 0.021277 -0.074863 16H 3s -0.264341 0.120351 -0.427056 0.192080 -0.045897 0.096975 16H 1pz 0.004940 -0.003813 0.014412 -0.001341 0.002377 -0.005627 16H 1px -0.002873 0.000668 -0.001780 0.004216 0.000787 -0.001898 16H 1py 0.002541 -0.001573 0.005301 -0.000468 0.000581 -0.002158 17H 1s 0.017513 -0.000867 -0.010313 -0.007496 -0.021492 0.005509 17H 2s 0.056986 -0.000424 0.025995 -0.027134 -0.062322 0.007464 17H 3s 0.312003 -0.037500 -0.405912 -0.108426 -0.307204 0.275596 17H 1pz 0.002612 -0.000559 -0.008291 -0.000325 -0.000775 0.003399 17H 1px 0.006929 -0.000850 -0.010053 -0.002809 -0.007254 0.003920 17H 1py -0.004063 0.000432 0.006722 0.001152 0.002731 -0.003697 18H 1s -0.017430 -0.001168 -0.008425 0.008755 0.022056 0.005771 18H 2s -0.057531 -0.002187 0.030089 0.025892 0.058759 0.006976 18H 3s -0.304552 -0.038124 -0.375384 0.148613 0.337720 0.280794 18H 1pz 0.002589 0.000535 0.008227 -0.001090 -0.001586 -0.003617 18H 1px 0.006812 0.000913 0.009245 -0.003824 -0.008050 -0.004141 18H 1py -0.003854 -0.000356 -0.006120 0.001733 0.003161 0.003737 19H 1s 0.015589 0.003155 -0.011935 -0.016094 0.000147 -0.009524 19H 2s 0.060546 -0.009304 0.020596 -0.067063 -0.021341 -0.075487 19H 3s 0.263419 0.143031 -0.428245 -0.155394 0.085746 0.101201 19H 1pz 0.004797 0.004159 -0.013898 -0.000016 0.003593 0.005877 19H 1px -0.002865 -0.000985 0.002183 0.004059 0.000487 0.001817 19H 1py 0.002602 0.001874 -0.005451 0.000042 0.001121 0.002381 20H 1s -0.012539 0.017395 -0.009942 0.015190 -0.023265 0.001518 20H 2s -0.083889 0.018918 0.066316 0.037814 0.066086 0.186839 20H 3s -0.044392 0.104788 -0.502374 0.437388 -0.902902 -0.197859 20H 1pz 0.000363 -0.008678 0.012892 -0.004716 0.019633 0.010387 20H 1px 0.003302 -0.002305 -0.003666 -0.000049 -0.002433 -0.004849 20H 1py -0.009221 0.005982 0.007096 -0.001930 0.011849 0.016922 21H 1s -0.007106 0.018340 -0.003415 0.001541 -0.017795 -0.010420 21H 2s -0.058942 0.050081 0.021981 0.003076 -0.032971 -0.072854 21H 3s 0.240450 0.098021 -0.185848 -0.069452 -0.302922 0.013680 21H 1pz 0.005153 -0.005934 0.001334 0.000867 0.000786 0.005877 21H 1px 0.008815 -0.001176 -0.005175 -0.002857 -0.002871 0.002375 21H 1py -0.006467 0.010556 -0.007031 0.004492 -0.009596 0.003263 22H 1s -0.005738 0.014405 -0.014175 -0.000840 -0.006464 0.008781 22H 2s -0.047982 0.091321 -0.119656 0.009197 -0.034985 -0.020033 22H 3s 0.259823 -0.109231 -0.137048 -0.197347 -0.194577 0.121279 22H 1pz 0.006010 -0.010788 0.006472 -0.001425 0.003307 0.008479 22H 1px -0.001850 -0.001788 0.000181 0.001216 0.007235 -0.000640 22H 1py -0.009348 0.013115 -0.008427 0.006071 -0.010730 -0.003180 23H 1s -0.017294 -0.017560 -0.016852 -0.017448 -0.001655 0.015876 23H 2s -0.058959 -0.056453 -0.034296 -0.002959 -0.028033 0.162927 23H 3s -0.344674 -0.060294 -0.324838 -0.376525 0.233609 0.187611 23H 1pz 0.010260 0.011688 0.007756 0.012844 0.001856 0.002054 23H 1px -0.002727 0.000333 -0.000453 -0.003306 0.005686 -0.009339 23H 1py 0.004426 0.006962 -0.001899 -0.003224 0.004295 -0.006077 24H 1s -0.001271 -0.016296 -0.017248 -0.022612 -0.015601 0.001527 24H 2s -0.095739 -0.026382 0.012432 0.047511 -0.051190 0.169560 24H 3s 0.824392 0.001966 -0.527273 -0.785859 -0.380444 -0.406266 24H 1pz 0.020088 0.008818 -0.002885 -0.004072 -0.000674 -0.011726 24H 1px 0.015073 -0.000195 -0.006210 -0.013776 -0.001849 -0.021046 24H 1py -0.001510 0.008055 0.009600 0.015040 0.002507 0.004084 25H 1s -0.018587 -0.017406 0.000531 -0.014506 0.004983 -0.016672 25H 2s -0.061077 -0.099950 -0.047064 -0.090845 0.028851 -0.232551 25H 3s -0.143738 0.133836 0.079559 -0.242469 0.111997 0.178903 25H 1pz 0.005251 0.014299 0.011457 0.012753 0.004587 0.013211 25H 1px 0.002357 -0.002209 0.000444 0.004448 0.002207 -0.016604 25H 1py 0.009456 0.009966 0.007369 0.008081 -0.000595 0.002741 26O 1s 0.003295 0.000376 -0.000791 -0.012727 0.004619 0.008867 26O 2s 0.008425 0.000322 -0.002078 -0.031574 0.011483 0.022686 26O 3s -0.020603 0.010342 0.005764 0.059483 -0.021920 -0.049312 26O 4s 0.019987 -0.063345 -0.011820 0.045852 -0.015302 0.012027 26O 5s -0.293251 0.253920 0.253405 0.462912 -0.209046 -1.030842 26O 1pz -0.011414 0.004286 0.032353 0.024277 -0.025164 0.032580 26O 1px -0.000412 0.012974 0.014415 -0.049082 -0.025426 -0.002988 26O 1py -0.022986 0.009490 0.018746 -0.010866 0.039119 0.038826 26O 2pz -0.006348 -0.012864 0.018752 0.035646 -0.022654 0.009959 26O 2px -0.007557 0.023933 0.009992 -0.056478 -0.017870 0.037602 26O 2py -0.019697 0.003584 0.007633 -0.007725 0.040511 0.041694 26O 3pz -0.104073 0.191213 0.099918 -0.029966 -0.040859 0.186371 26O 3px 0.161325 -0.064584 -0.107433 -0.131954 0.038488 0.399925 26O 3py 0.005357 0.093273 0.016561 -0.076399 0.045721 0.279534 26O 1dz2 -0.000190 -0.000341 -0.001505 0.000541 0.000365 -0.001226 26O 1dxz -0.002279 0.001789 0.000512 -0.000769 0.000711 -0.000050 26O 1dyz -0.000193 0.000191 -0.001083 -0.000016 0.000061 -0.000993 26O 1dx2y2 0.000429 -0.000546 -0.000115 -0.000195 0.001503 0.002392 26O 1dxy 0.000356 0.000674 0.000587 -0.000952 -0.000325 0.001762 26O 2dz2 0.003246 0.001104 -0.008801 0.002282 0.003933 0.012335 26O 2dxz -0.003299 0.002046 0.002920 -0.003405 0.001777 0.000061 26O 2dyz -0.003791 0.001247 -0.005065 0.009407 -0.001640 -0.006726 26O 2dx2y2 -0.007776 -0.002230 0.007122 0.006220 -0.001277 -0.022766 26O 2dxy -0.008273 -0.000578 0.008389 0.005409 -0.004651 -0.022536 26O 1f0 -0.000566 0.000522 -0.000286 -0.000203 0.000070 -0.000324 26O 1f+1 -0.000211 -0.000560 0.000826 0.000552 -0.000216 -0.000697 26O 1f-1 -0.000269 -0.000091 0.000149 0.000347 -0.000270 -0.000355 26O 1f+2 0.000349 -0.000529 0.000074 0.000550 -0.000029 -0.000332 26O 1f-2 0.000462 -0.000491 0.000735 -0.000022 -0.000148 0.000592 26O 1f+3 -0.000064 -0.000760 0.000548 0.000804 0.000311 -0.000561 26O 1f-3 -0.000454 -0.000435 0.000384 0.000808 -0.000323 -0.001400 27O 1s 0.005190 0.002041 0.007788 0.000751 -0.011187 -0.005476 27O 2s 0.013080 0.005611 0.019741 0.001754 -0.027717 -0.013666 27O 3s -0.028054 -0.020373 -0.041729 -0.001965 0.052004 0.026288 27O 4s 0.006394 0.051024 -0.005438 -0.013392 0.039192 0.019663 27O 5s -0.393907 -0.418422 -0.418045 0.084152 0.415409 0.207099 27O 1pz 0.004355 -0.006015 0.023395 -0.043346 0.016695 0.027389 27O 1px 0.006183 -0.015623 0.001778 -0.005741 -0.052433 0.051111 27O 1py 0.021186 0.015421 -0.052541 -0.021000 -0.020742 0.011936 27O 2pz 0.004570 0.006690 0.011036 -0.040272 0.018900 0.028451 27O 2px 0.007807 -0.018822 0.027051 -0.009029 -0.052992 0.013519 27O 2py 0.015574 -0.000999 -0.043748 -0.021803 -0.028125 0.039425 27O 3pz -0.055638 -0.141750 0.059348 -0.034956 0.015524 0.076723 27O 3px 0.173528 0.106008 0.074313 -0.056432 -0.153425 0.155963 27O 3py 0.040719 0.168665 -0.115619 -0.008514 0.022605 -0.162128 27O 1dz2 -0.000616 -0.000175 -0.000870 0.000354 0.000585 -0.000083 27O 1dxz -0.001337 -0.001073 0.000052 0.001282 -0.000272 -0.000994 27O 1dyz -0.000086 -0.000781 0.001085 -0.000449 -0.000166 0.001613 27O 1dx2y2 0.000595 -0.000003 0.002789 0.000387 -0.000886 -0.000423 27O 1dxy 0.000416 0.001291 -0.000526 0.000182 0.000430 0.000217 27O 2dz2 0.006013 0.001785 0.001453 -0.000841 -0.005968 0.004521 27O 2dxz 0.000256 -0.001091 0.003254 0.002740 -0.001941 -0.003537 27O 2dyz 0.005035 0.000308 0.006937 -0.002122 -0.010012 0.004857 27O 2dx2y2 -0.008012 -0.002114 0.001120 0.004898 0.001814 0.004455 27O 2dxy 0.006777 0.002672 0.000297 -0.001382 -0.002715 0.000899 27O 1f0 0.000042 -0.000353 -0.000047 0.000364 -0.000637 -0.000313 27O 1f+1 -0.000482 0.000199 -0.000081 0.000225 0.000765 -0.000284 27O 1f-1 0.000260 0.000152 0.000220 -0.000015 -0.000140 0.000069 27O 1f+2 0.000134 0.000499 0.000202 -0.000341 0.000374 0.000251 27O 1f-2 -0.000116 0.000021 -0.000394 0.000181 0.000373 -0.001023 27O 1f+3 -0.000478 0.000495 0.000335 0.000262 0.000944 0.000621 27O 1f-3 0.000586 0.000481 0.000357 -0.000049 0.000030 0.000414 28O 1s 0.006664 -0.002088 0.006348 -0.015204 -0.004362 -0.008859 28O 2s 0.016900 -0.005941 0.016100 -0.037768 -0.010806 -0.021810 28O 3s -0.038312 0.023640 -0.034276 0.072804 0.019221 0.034962 28O 4s 0.020225 -0.067659 -0.004100 0.045196 0.025879 0.062507 28O 5s -0.492449 0.529075 -0.262984 0.498695 0.152567 0.551435 28O 1pz -0.013988 0.013725 0.039559 -0.009619 -0.027079 0.032218 28O 1px 0.002567 -0.023226 0.010067 0.061016 -0.022294 -0.050761 28O 1py -0.003608 0.000662 0.046699 0.002477 0.026638 -0.009671 28O 2pz -0.011701 -0.000760 0.039609 -0.002788 -0.032641 -0.029450 28O 2px 0.002910 -0.022292 -0.008267 0.061998 -0.007073 0.006280 28O 2py 0.002705 -0.008499 0.042494 0.005091 0.023829 -0.018798 28O 3pz 0.057301 0.056517 0.100224 -0.071037 -0.052066 0.139499 28O 3px -0.188838 0.174620 0.041590 0.078013 -0.029750 0.085568 28O 3py -0.041795 0.103760 0.077743 -0.015685 0.023879 0.075558 28O 1dz2 -0.001390 0.001232 0.000630 -0.001273 0.000489 -0.001293 28O 1dxz -0.000481 -0.000191 -0.002116 0.001295 0.000716 0.000959 28O 1dyz 0.000601 0.000054 -0.000976 -0.000719 -0.001026 -0.000895 28O 1dx2y2 0.001305 -0.001334 0.000964 0.000150 0.000322 -0.001447 28O 1dxy 0.000430 -0.001127 -0.000922 0.000950 0.001065 -0.001330 28O 2dz2 -0.007633 0.003132 -0.000197 0.002768 0.003096 -0.004828 28O 2dxz 0.009812 -0.005315 -0.006674 0.004184 -0.000176 -0.016501 28O 2dyz -0.003323 0.002939 -0.004033 0.008655 -0.003234 -0.001963 28O 2dx2y2 -0.007724 0.001660 0.000287 0.001802 0.003466 0.012995 28O 2dxy 0.000092 -0.001229 -0.003897 0.006500 0.002179 -0.004457 28O 1f0 0.000070 -0.000410 0.000292 0.000418 -0.000139 0.001164 28O 1f+1 -0.000847 0.000582 -0.000242 -0.000238 0.000223 -0.000158 28O 1f-1 -0.000022 -0.000149 0.000152 0.000293 0.000257 0.001094 28O 1f+2 0.000635 0.000361 -0.000271 -0.000889 -0.000230 -0.001015 28O 1f-2 -0.000333 0.000413 -0.000405 0.000169 -0.000442 -0.000484 28O 1f+3 0.000071 0.000588 -0.000170 -0.000673 -0.000106 -0.000695 28O 1f-3 -0.000047 0.000323 0.000162 -0.000557 -0.000322 0.000323 29O 1s -0.000513 -0.000172 0.002445 0.002536 -0.002097 -0.003031 29O 2s -0.001186 -0.000359 0.004990 0.006302 -0.005434 -0.006847 29O 3s 0.000848 -0.000538 0.008049 -0.012227 0.014563 0.003117 29O 4s 0.008018 0.004751 -0.085875 -0.005873 -0.013854 0.051770 29O 5s 0.001989 -0.002678 0.154095 -0.091763 0.132773 -0.010049 29O 1pz -0.043829 0.015887 -0.038523 0.013926 -0.000567 -0.007804 29O 1px -0.025043 0.000411 0.082724 0.004259 0.042430 -0.017604 29O 1py 0.002981 0.004183 -0.046770 -0.017157 0.008029 0.050480 29O 2pz -0.032780 0.010215 -0.028150 0.010634 -0.002883 -0.015832 29O 2px -0.017613 0.002317 0.055048 -0.002078 0.037409 -0.004207 29O 2py 0.000494 0.003193 -0.033445 -0.019068 0.016293 0.050899 29O 3pz -0.137561 0.020200 -0.065838 0.071267 0.047335 -0.028046 29O 3px -0.075042 -0.010844 0.174949 0.052959 0.070211 -0.094169 29O 3py 0.013978 -0.001591 -0.041252 0.010081 -0.046093 0.002062 29O 1dz2 -0.000644 -0.000087 -0.000866 0.000864 0.000415 -0.000304 29O 1dxz 0.000796 0.000064 -0.001066 -0.000948 -0.001170 0.000503 29O 1dyz -0.001045 -0.000256 0.000380 0.001098 0.000755 -0.001035 29O 1dx2y2 0.000061 0.000040 0.000766 -0.000207 -0.000022 0.000400 29O 1dxy -0.000552 -0.000037 -0.000615 -0.000088 0.000831 0.000538 29O 2dz2 -0.003492 0.001411 -0.007337 0.003370 -0.000391 0.000622 29O 2dxz 0.005544 -0.000230 -0.005319 -0.004452 -0.005862 0.002284 29O 2dyz -0.002598 0.001273 0.000620 0.002202 -0.000010 -0.001286 29O 2dx2y2 0.001752 -0.000195 -0.000096 -0.001141 -0.000967 0.002495 29O 2dxy -0.002161 0.000649 0.000751 -0.002259 0.006233 0.003548 29O 1f0 -0.000329 -0.000031 0.000573 0.000198 0.000082 -0.000508 29O 1f+1 -0.000101 0.000084 -0.000110 -0.000134 0.000112 0.000147 29O 1f-1 0.000072 -0.000212 0.001068 -0.000187 0.000348 -0.000244 29O 1f+2 -0.000348 0.000098 -0.000234 0.000220 0.000183 -0.000021 29O 1f-2 -0.000255 0.000008 0.000849 0.000103 0.000489 -0.000053 29O 1f+3 0.000227 -0.000045 -0.000268 0.000050 -0.000390 -0.000280 29O 1f-3 0.000017 -0.000025 0.000230 -0.000054 0.000188 0.000018 30O 1s 0.005821 0.001470 -0.000787 0.000800 -0.018219 0.007194 30O 2s 0.014699 0.004184 -0.001867 0.002013 -0.045328 0.018535 30O 3s -0.032530 -0.017139 0.001174 -0.003636 0.088383 -0.043275 30O 4s 0.010222 0.052854 0.008662 -0.000165 0.047961 0.032793 30O 5s -0.366279 -0.463281 0.306212 -0.102913 0.664239 -0.896177 30O 1pz 0.000983 -0.020188 0.034272 -0.030386 -0.019579 0.018775 30O 1px -0.017111 0.005554 -0.004467 -0.003294 0.052080 0.000338 30O 1py 0.022809 0.019701 -0.029364 -0.033719 -0.000361 -0.043143 30O 2pz -0.002087 -0.011875 0.019227 -0.024623 -0.017912 0.020382 30O 2px -0.012494 0.012456 0.007918 -0.010623 0.059758 -0.019690 30O 2py 0.017250 0.005274 -0.007497 -0.034425 -0.004677 -0.045154 30O 3pz 0.044317 -0.019767 -0.017180 -0.016607 -0.069380 0.210372 30O 3px -0.145278 -0.223114 0.155681 -0.024105 0.098160 -0.219856 30O 3py 0.004467 0.087660 -0.016400 -0.058437 0.063209 -0.289789 30O 1dz2 -0.000992 -0.000842 0.000602 0.001040 -0.000329 0.000516 30O 1dxz -0.000262 -0.000077 -0.000669 -0.000285 0.000666 -0.001117 30O 1dyz 0.000040 0.000113 0.000922 -0.000483 0.001354 -0.000629 30O 1dx2y2 0.000476 0.001585 -0.000422 0.000592 0.000960 0.001403 30O 1dxy 0.000102 -0.000844 0.001360 -0.000353 -0.000850 0.001835 30O 2dz2 0.002247 0.000989 -0.000949 0.004466 -0.007699 0.008206 30O 2dxz 0.002912 0.003435 -0.012532 0.001946 -0.000300 0.008873 30O 2dyz 0.009542 0.005154 -0.005070 -0.000582 -0.009858 0.015146 30O 2dx2y2 -0.000509 0.000763 0.005963 0.000494 0.000951 -0.004646 30O 2dxy -0.002948 -0.004884 0.016706 -0.003002 -0.005050 -0.009866 30O 1f0 -0.000174 0.000156 0.000319 -0.000201 0.000416 -0.000813 30O 1f+1 -0.000058 -0.000301 0.000049 0.000424 -0.000515 0.000119 30O 1f-1 -0.000219 -0.000103 -0.000441 0.000359 -0.000022 -0.000191 30O 1f+2 -0.000071 -0.000539 -0.001089 0.000122 -0.000815 -0.000011 30O 1f-2 0.000586 0.000161 -0.000363 0.000158 -0.000817 0.001261 30O 1f+3 -0.000299 -0.000600 -0.000337 -0.000056 -0.000268 -0.000171 30O 1f-3 0.000162 -0.000297 -0.001196 0.000331 -0.000488 0.000128 31O 1s -0.005851 0.001438 0.000480 -0.000745 0.018200 0.007375 31O 2s -0.014797 0.004113 0.001279 -0.001882 0.045272 0.018991 31O 3s 0.033151 -0.017105 -0.004913 0.003591 -0.088082 -0.044254 31O 4s -0.012692 0.053677 0.004790 -0.000402 -0.048484 0.032720 31O 5s 0.378795 -0.469035 0.266171 0.072344 -0.684261 -0.907335 31O 1pz 0.000873 0.020960 -0.038329 -0.027014 -0.016743 -0.018048 31O 1px -0.017214 -0.007466 0.007807 -0.003725 0.051776 -0.000400 31O 1py 0.023209 -0.018878 0.026457 -0.036129 -0.002739 0.043139 31O 2pz -0.002321 0.012091 -0.022842 -0.022585 -0.016240 -0.019794 31O 2px -0.011923 -0.013797 -0.004413 -0.009861 0.060218 0.019819 31O 2py 0.017635 -0.004388 0.004299 -0.034741 -0.005439 0.045186 31O 3pz 0.043188 0.019319 0.010494 -0.018644 -0.069862 -0.211143 31O 3px -0.151283 0.224477 -0.151771 -0.008676 0.109180 0.218141 31O 3py 0.007481 -0.086009 0.016831 -0.059289 0.061833 0.292295 31O 1dz2 0.001016 -0.000801 0.000552 -0.001108 0.000287 0.000557 31O 1dxz 0.000263 -0.000106 -0.000689 0.000355 -0.000591 -0.001121 31O 1dyz -0.000060 0.000097 0.000841 0.000400 -0.001425 -0.000692 31O 1dx2y2 -0.000519 0.001661 -0.000566 -0.000547 -0.000943 0.001340 31O 1dxy -0.000093 -0.000882 0.001458 0.000246 0.000735 0.001875 31O 2dz2 -0.002210 0.001204 -0.000741 -0.004435 0.007729 0.008215 31O 2dxz -0.002776 0.003798 -0.012640 -0.000789 0.001252 0.008825 31O 2dyz -0.009631 0.005042 -0.004411 0.001088 0.010144 0.015088 31O 2dx2y2 0.000381 0.000817 0.005812 -0.001087 -0.001404 -0.004642 31O 2dxy 0.002765 -0.005313 0.017306 0.001485 0.003764 -0.009782 31O 1f0 -0.000161 -0.000148 -0.000305 -0.000168 0.000438 0.000802 31O 1f+1 -0.000068 0.000300 -0.000059 0.000429 -0.000512 -0.000117 31O 1f-1 -0.000233 0.000088 0.000461 0.000321 -0.000059 0.000186 31O 1f+2 -0.000115 0.000546 0.001027 0.000025 -0.000899 0.000007 31O 1f-2 0.000582 -0.000168 0.000322 0.000126 -0.000839 -0.001254 31O 1f+3 -0.000329 0.000624 0.000304 -0.000085 -0.000295 0.000175 31O 1f-3 0.000123 0.000291 0.001179 0.000227 -0.000581 -0.000122 32O 1s 0.000385 0.000052 0.002349 -0.002710 0.001971 -0.003193 32O 2s 0.000890 0.000204 0.004780 -0.006638 0.005206 -0.007239 32O 3s -0.000572 -0.001775 0.007926 0.011311 -0.015512 0.003663 32O 4s -0.006104 0.004776 -0.083311 0.013254 0.020311 0.053308 32O 5s -0.003199 -0.013166 0.151236 0.077464 -0.146484 -0.007578 32O 1pz -0.043678 -0.017849 0.036774 0.011359 -0.003980 0.007947 32O 1px -0.023559 0.000618 -0.079143 0.011881 0.049062 0.020848 32O 1py 0.001124 -0.005082 0.045566 -0.020703 0.004818 -0.050043 32O 2pz -0.032676 -0.011656 0.026653 0.008960 -0.005655 0.016173 32O 2px -0.016593 -0.001178 -0.052591 0.003061 0.041851 0.006864 32O 2py -0.001003 -0.003587 0.032813 -0.021418 0.014105 -0.050103 32O 3pz -0.138034 -0.027120 0.069522 0.067108 0.041120 0.026745 32O 3px -0.071708 0.009189 -0.165117 0.068824 0.083409 0.099745 32O 3py 0.010234 -0.001957 0.039237 0.008091 -0.047846 -0.000608 32O 1dz2 0.000614 -0.000022 -0.000960 -0.000754 -0.000274 -0.000238 32O 1dxz -0.000803 0.000028 -0.000893 0.001070 0.001246 0.000541 32O 1dyz 0.001069 -0.000202 0.000229 -0.001167 -0.000757 -0.001036 32O 1dx2y2 -0.000111 0.000033 0.000780 0.000167 -0.000023 0.000367 32O 1dxy 0.000536 0.000000 -0.000646 0.000156 -0.000742 0.000571 32O 2dz2 0.003329 0.001700 -0.007428 -0.002602 0.001146 0.000887 32O 2dxz -0.005554 -0.000462 -0.004478 0.004986 0.006312 0.002427 32O 2dyz 0.002522 0.001473 0.000155 -0.002268 0.000112 -0.001158 32O 2dx2y2 -0.001799 -0.000334 0.000037 0.001180 0.001005 0.002303 32O 2dxy 0.002092 0.000503 0.000347 0.002220 -0.006206 0.003509 32O 1f0 -0.000331 0.000006 -0.000484 0.000259 0.000101 0.000501 32O 1f+1 -0.000089 -0.000082 0.000146 -0.000151 0.000081 -0.000154 32O 1f-1 0.000033 0.000225 -0.001059 -0.000063 0.000462 0.000306 32O 1f+2 -0.000341 -0.000120 0.000293 0.000200 0.000140 0.000001 32O 1f-2 -0.000265 -0.000014 -0.000778 0.000183 0.000573 0.000070 32O 1f+3 0.000214 0.000052 0.000223 0.000028 -0.000401 0.000269 32O 1f-3 0.000034 0.000043 -0.000225 -0.000038 0.000195 0.000002 33O 1s -0.006701 -0.002635 0.007920 0.014528 0.003802 -0.008694 33O 2s -0.016958 -0.007326 0.019989 0.036055 0.009386 -0.021394 33O 3s 0.037837 0.026803 -0.041457 -0.069155 -0.016169 0.034062 33O 4s -0.016515 -0.069589 -0.011076 -0.044887 -0.025632 0.062414 33O 5s 0.473309 0.569319 -0.305616 -0.466708 -0.131151 0.544091 33O 1pz -0.012322 -0.015068 -0.042309 -0.006200 -0.023953 -0.031569 33O 1px 0.001474 0.021815 -0.006427 0.061943 -0.021416 0.050935 33O 1py -0.003246 -0.001521 -0.044102 0.006879 0.030536 0.009649 33O 2pz -0.010647 -0.000660 -0.042305 0.000851 -0.029593 0.030423 33O 2px 0.001419 0.021556 0.012939 0.060923 -0.007617 -0.006283 33O 2py 0.002664 0.007966 -0.039894 0.009168 0.027249 0.019090 33O 3pz 0.062315 -0.051264 -0.106508 -0.060958 -0.044488 -0.141989 33O 3px -0.179891 -0.191513 -0.040648 0.079677 -0.025451 -0.087652 33O 3py -0.035718 -0.107106 -0.077194 -0.009535 0.030257 -0.078375 33O 1dz2 0.001309 0.001310 0.000724 0.001213 -0.000539 -0.001218 33O 1dxz 0.000534 -0.000149 -0.002261 -0.001085 -0.000548 0.000921 33O 1dyz -0.000589 0.000031 -0.000828 0.000815 0.001100 -0.000877 33O 1dx2y2 -0.001250 -0.001441 0.000903 -0.000251 -0.000398 -0.001480 33O 1dxy -0.000348 -0.001166 -0.001094 -0.000888 -0.000992 -0.001377 33O 2dz2 0.007454 0.003667 -0.000482 -0.002697 -0.003079 -0.004808 33O 2dxz -0.009372 -0.006004 -0.007284 -0.003732 0.000736 -0.016652 33O 2dyz 0.003350 0.003449 -0.004433 -0.008220 0.003537 -0.001984 33O 2dx2y2 0.007657 0.002115 0.000070 -0.001703 -0.003528 0.013170 33O 2dxy 0.000042 -0.001171 -0.004643 -0.006155 -0.001847 -0.004564 33O 1f0 0.000052 0.000406 -0.000260 0.000441 -0.000115 -0.001167 33O 1f+1 -0.000814 -0.000642 0.000211 -0.000268 0.000202 0.000161 33O 1f-1 -0.000023 0.000159 -0.000102 0.000304 0.000266 -0.001089 33O 1f+2 0.000649 -0.000311 0.000186 -0.000907 -0.000255 0.001028 33O 1f-2 -0.000323 -0.000448 0.000374 0.000130 -0.000472 0.000479 33O 1f+3 0.000100 -0.000580 0.000107 -0.000682 -0.000122 0.000715 33O 1f-3 -0.000030 -0.000318 -0.000236 -0.000543 -0.000307 -0.000327 34O 1s -0.005425 0.001709 0.008359 -0.001471 0.010474 -0.005984 34O 2s -0.013696 0.004785 0.021162 -0.003577 0.025911 -0.014920 34O 3s 0.029726 -0.018849 -0.044443 0.005818 -0.048171 0.028641 34O 4s -0.008539 0.052522 -0.006866 0.013950 -0.038911 0.021579 34O 5s 0.422620 -0.405184 -0.447486 -0.047436 -0.378174 0.222542 34O 1pz 0.004776 0.007154 -0.025864 -0.041334 0.018749 -0.027206 34O 1px 0.005435 0.016834 -0.006186 -0.005641 -0.051871 -0.051046 34O 1py 0.021134 -0.014762 0.049064 -0.025885 -0.024931 -0.010926 34O 2pz 0.005257 -0.006150 -0.013116 -0.039495 0.020058 -0.028144 34O 2px 0.007613 0.020636 -0.031694 -0.006619 -0.050556 -0.013579 34O 2py 0.015013 0.001800 0.039472 -0.025922 -0.031658 -0.038555 34O 3pz -0.060608 0.143423 -0.062253 -0.029023 0.019891 -0.076946 34O 3px 0.180714 -0.103358 -0.088798 -0.050751 -0.146417 -0.154327 34O 3py 0.045133 -0.171409 0.117802 -0.018439 0.013975 0.163276 34O 1dz2 0.000639 -0.000153 -0.000927 -0.000268 -0.000507 -0.000029 34O 1dxz 0.001392 -0.001020 -0.000023 -0.001307 0.000267 -0.001021 34O 1dyz 0.000097 -0.000827 0.001138 0.000356 0.000079 0.001622 34O 1dx2y2 -0.000654 0.000021 0.002796 -0.000638 0.000655 -0.000447 34O 1dxy -0.000452 0.001369 -0.000573 -0.000153 -0.000388 0.000288 34O 2dz2 -0.006209 0.001774 0.001935 0.000764 0.005864 0.004526 34O 2dxz -0.000291 -0.001092 0.003159 -0.003043 0.001703 -0.003578 34O 2dyz -0.005169 -0.000018 0.007752 0.001469 0.009401 0.004774 34O 2dx2y2 0.008189 -0.001960 0.000616 -0.004977 -0.001972 0.004309 34O 2dxy -0.006902 0.002649 0.000521 0.001329 0.002688 0.000980 34O 1f0 0.000028 0.000354 0.000028 0.000362 -0.000640 0.000323 34O 1f+1 -0.000479 -0.000214 0.000151 0.000222 0.000754 0.000289 34O 1f-1 0.000270 -0.000151 -0.000225 0.000005 -0.000120 -0.000067 34O 1f+2 0.000156 -0.000508 -0.000190 -0.000325 0.000395 -0.000238 34O 1f-2 -0.000124 -0.000031 0.000436 0.000148 0.000340 0.001036 34O 1f+3 -0.000455 -0.000524 -0.000245 0.000284 0.000967 -0.000636 34O 1f-3 0.000611 -0.000495 -0.000346 -0.000018 0.000061 -0.000415 35O 1s -0.003286 -0.000321 -0.000100 0.012747 -0.004573 0.008356 35O 2s -0.008368 -0.001431 -0.000371 0.031628 -0.011359 0.021419 35O 3s 0.019869 0.014071 0.002693 -0.059649 0.021580 -0.046938 35O 4s -0.016391 -0.063645 -0.015034 -0.045150 0.016228 0.013791 35O 5s 0.277426 0.296086 0.231645 -0.484809 0.185732 -1.009894 35O 1pz -0.010390 -0.005472 -0.032394 0.026941 -0.022646 -0.033060 35O 1px 0.001034 -0.012548 -0.020639 -0.047568 -0.024238 0.002969 35O 1py -0.022907 -0.010737 -0.016762 -0.008848 0.040755 -0.039252 35O 2pz -0.006264 0.012169 -0.017756 0.037177 -0.021371 -0.010107 35O 2px -0.005473 -0.023299 -0.016621 -0.055797 -0.017278 -0.037403 35O 2py -0.020035 -0.004561 -0.005257 -0.006585 0.041195 -0.041559 35O 3pz -0.093110 -0.199540 -0.106443 -0.022180 -0.032748 -0.187254 35O 3px 0.156764 0.081750 0.100095 -0.141449 0.028461 -0.396465 35O 3py 0.009773 -0.091663 -0.020255 -0.076840 0.046472 -0.281223 35O 1dz2 0.000239 -0.000319 -0.001566 -0.000403 -0.000247 -0.001193 35O 1dxz 0.002177 0.001925 0.000549 0.000724 -0.000745 -0.000111 35O 1dyz 0.000207 0.000196 -0.001086 0.000107 0.000025 -0.001045 35O 1dx2y2 -0.000391 -0.000629 -0.000209 0.000198 -0.001481 0.002370 35O 1dxy -0.000403 0.000636 0.000691 0.000919 0.000279 0.001705 35O 2dz2 -0.003154 0.000778 -0.009202 -0.001348 -0.003170 0.012448 35O 2dxz 0.003069 0.002220 0.003138 0.003159 -0.002017 0.000049 35O 2dyz 0.003880 0.001864 -0.005678 -0.008952 0.002023 -0.006724 35O 2dx2y2 0.007696 -0.001388 0.006716 -0.006954 0.000684 -0.022598 35O 2dxy 0.008143 0.000268 0.008363 -0.006249 0.003912 -0.022539 35O 1f0 -0.000541 -0.000564 0.000259 -0.000232 0.000045 0.000323 35O 1f+1 -0.000223 0.000522 -0.000784 0.000635 -0.000147 0.000692 35O 1f-1 -0.000272 0.000055 -0.000142 0.000363 -0.000257 0.000334 35O 1f+2 0.000320 0.000553 -0.000019 0.000560 -0.000022 0.000348 35O 1f-2 0.000452 0.000525 -0.000736 0.000044 -0.000090 -0.000609 35O 1f+3 -0.000084 0.000738 -0.000448 0.000855 0.000353 0.000546 35O 1f-3 -0.000472 0.000380 -0.000340 0.000846 -0.000285 0.001392 150 151 152 153 154 155 0.19785 0.19897 0.20565 0.21310 0.21944 0.22124 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s -0.000087 0.007764 0.000327 -0.002304 0.001428 0.001361 0Rh 2s 0.000428 -0.029998 -0.000877 0.007430 -0.005568 -0.005380 0Rh 3s -0.000240 0.026552 0.001359 -0.008797 0.004856 0.004581 0Rh 4s -0.001912 0.131841 0.003664 -0.031975 0.024532 0.023735 0Rh 5s 0.002191 -0.110373 0.000214 0.014547 -0.021036 -0.020935 0Rh 6s 0.000999 -0.215445 -0.018875 0.100353 -0.038171 -0.035129 0Rh 7s 0.059043 0.299009 -0.027290 0.287356 0.087722 0.046225 0Rh 8s 0.007918 -2.372688 0.269894 -1.520451 -0.569331 -0.375987 0Rh 1pz 0.000779 0.010721 -0.008306 -0.007539 -0.001993 -0.006544 0Rh 1px 0.006935 -0.013347 -0.007695 0.003597 -0.004557 -0.004996 0Rh 1py -0.003158 -0.004381 0.003449 -0.005037 0.007970 -0.003941 0Rh 2pz -0.002674 -0.036936 0.028624 0.025881 0.006896 0.022464 0Rh 2px -0.023845 0.046194 0.026486 -0.012349 0.015677 0.017238 0Rh 2py 0.010865 0.015078 -0.011882 0.017462 -0.027379 0.013587 0Rh 3pz 0.002347 0.035706 -0.027762 -0.023170 -0.007303 -0.020017 0Rh 3px 0.022180 -0.048780 -0.025084 0.011027 -0.014606 -0.017081 0Rh 3py -0.010219 -0.014299 0.011422 -0.018844 0.024760 -0.013301 0Rh 4pz 0.003449 0.034952 -0.026418 -0.031752 -0.003654 -0.028205 0Rh 4px 0.026209 -0.027721 -0.027373 0.015829 -0.017566 -0.014754 0Rh 4py -0.011317 -0.015434 0.011399 -0.009045 0.033019 -0.012102 0Rh 5pz 0.003235 0.042216 -0.041347 -0.017104 -0.014254 -0.011244 0Rh 5px 0.015970 -0.084636 -0.023498 -0.001438 -0.007598 -0.024670 0Rh 5py -0.013321 -0.014432 0.016573 -0.039313 0.018755 -0.016676 0Rh 6pz 0.022620 -0.960522 0.577446 0.332825 0.098528 0.417633 0Rh 6px -0.281797 1.790716 0.343513 -0.089527 0.258243 0.577888 0Rh 6py 0.139815 0.403446 -0.215188 0.406317 -0.659515 0.253959 0Rh 1dz2 0.007873 -0.004484 -0.003700 -0.005615 -0.000280 0.000299 0Rh 1dxz -0.004515 -0.001507 0.017201 0.011281 -0.000659 -0.004763 0Rh 1dyz -0.006134 -0.001919 0.006402 0.002443 -0.002958 0.003573 0Rh 1dx2y2 0.004401 0.006987 0.008468 -0.001305 -0.003576 0.002530 0Rh 1dxy 0.008756 0.002866 -0.004604 0.006538 0.001742 0.000764 0Rh 2dz2 -0.000090 -0.000224 -0.000629 0.000062 -0.000078 0.000219 0Rh 2dxz 0.000167 -0.000820 0.000293 0.000115 0.000174 0.000533 0Rh 2dyz -0.000355 -0.000189 -0.000163 -0.000567 -0.000435 0.000244 0Rh 2dx2y2 -0.000662 0.000614 0.000374 -0.000463 0.000426 0.000330 0Rh 2dxy -0.000079 0.000484 -0.000193 0.000392 -0.000582 0.000537 0Rh 3dz2 -0.013514 0.008757 0.009101 0.009705 0.000809 -0.001447 0Rh 3dxz 0.007250 0.005901 -0.031550 -0.020422 0.000479 0.006311 0Rh 3dyz 0.012257 0.004102 -0.010561 -0.001958 0.007017 -0.007309 0Rh 3dx2y2 -0.005002 -0.014705 -0.016457 0.004162 0.004646 -0.005753 0Rh 3dxy -0.015100 -0.006968 0.008942 -0.013157 -0.000777 -0.003467 0Rh 4dz2 -0.012041 0.002689 -0.003275 0.008345 -0.000622 0.002528 0Rh 4dxz 0.008186 -0.008827 -0.019841 -0.013257 0.002751 0.012331 0Rh 4dyz 0.003920 0.000431 -0.011563 -0.011085 -0.001795 -0.001682 0Rh 4dx2y2 -0.014729 -0.000547 -0.006983 -0.004603 0.009661 0.000582 0Rh 4dxy -0.012847 0.002410 0.003391 -0.004195 -0.009153 0.005160 0Rh 5dz2 -0.018812 0.042843 0.056628 0.014587 0.001914 -0.015714 0Rh 5dxz 0.009080 0.060867 -0.079030 -0.065175 -0.004709 0.005504 0Rh 5dyz 0.053095 0.017371 -0.003365 0.032926 0.038967 -0.027580 0Rh 5dx2y2 0.025264 -0.085155 -0.052920 0.051173 0.003976 -0.028941 0Rh 5dxy -0.026297 -0.042147 0.033966 -0.037195 0.016257 -0.024536 0Rh 1f0 0.001228 -0.001684 0.000509 0.000797 0.001131 -0.002261 0Rh 1f+1 -0.001201 0.003863 0.000403 -0.000882 -0.000495 -0.003411 0Rh 1f-1 0.000160 0.001995 -0.001605 -0.001551 0.000101 -0.003782 0Rh 1f+2 -0.000826 -0.000132 0.002270 -0.001538 0.002344 0.004736 0Rh 1f-2 -0.001470 -0.000381 0.001520 -0.001028 0.004114 -0.000926 0Rh 1f+3 -0.000183 0.005129 0.000211 -0.002699 -0.003784 -0.000109 0Rh 1f-3 0.000494 0.001520 0.000233 -0.000980 0.003892 -0.001304 1Rh 1s 0.001034 -0.007604 0.000329 -0.002188 -0.001502 -0.001275 1Rh 2s -0.003907 0.029441 -0.000879 0.006979 0.005814 0.005083 1Rh 3s 0.003592 -0.025963 0.001368 -0.008397 -0.005133 -0.004267 1Rh 4s 0.017145 -0.129420 0.003667 -0.029989 -0.025596 -0.022444 1Rh 5s -0.013789 0.108840 0.000254 0.012881 0.021603 0.020126 1Rh 6s -0.030039 0.209592 -0.019025 0.097120 0.041195 0.031952 1Rh 7s 0.101892 -0.281055 -0.027127 0.293833 -0.080258 -0.051198 1Rh 8s -0.342029 2.359679 0.272106 -1.562036 0.528711 0.409426 1Rh 1pz -0.002201 0.010695 0.008300 0.007325 -0.001858 -0.006779 1Rh 1px -0.004864 -0.014422 0.007638 -0.003399 -0.004589 -0.005143 1Rh 1py 0.003930 -0.003626 -0.003314 0.004754 0.008132 -0.003994 1Rh 2pz 0.007572 -0.036846 -0.028605 -0.025147 0.006438 0.023270 1Rh 2px 0.016680 0.049882 -0.026289 0.011666 0.015787 0.017746 1Rh 2py -0.013525 0.012480 0.011417 -0.016487 -0.027940 0.013771 1Rh 3pz -0.007111 0.035636 0.027774 0.022488 -0.006942 -0.020704 1Rh 3px -0.014638 -0.052106 0.024881 -0.010369 -0.014707 -0.017557 1Rh 3py 0.012763 -0.011832 -0.011006 0.017908 0.025333 -0.013493 1Rh 4pz -0.007960 0.034806 0.026278 0.030921 -0.002891 -0.029307 1Rh 4px -0.021828 -0.032178 0.027241 -0.015143 -0.017700 -0.015287 1Rh 4py 0.013960 -0.012828 -0.010817 0.008090 0.033423 -0.012223 1Rh 5pz -0.009146 0.041927 0.041605 0.016607 -0.014369 -0.011732 1Rh 5px -0.002917 -0.086153 0.023031 0.001850 -0.007549 -0.025190 1Rh 5py 0.016012 -0.011089 -0.016375 0.038209 0.019818 -0.016976 1Rh 6pz 0.110485 -0.960901 -0.578999 -0.315041 0.096795 0.430964 1Rh 6px 0.008335 1.815934 -0.333582 0.076294 0.261036 0.584463 1Rh 6py -0.213066 0.359705 0.207317 -0.382184 -0.673340 0.254702 1Rh 1dz2 0.007179 0.005187 -0.003753 -0.005735 0.000066 -0.000120 1Rh 1dxz -0.004742 0.000716 0.017193 0.011408 0.000966 0.004047 1Rh 1dyz -0.006200 0.000908 0.006384 0.002497 0.003121 -0.003773 1Rh 1dx2y2 0.005485 -0.006008 0.008305 -0.001406 0.003307 -0.002403 1Rh 1dxy 0.009035 -0.000924 -0.004706 0.006652 -0.001544 -0.000732 1Rh 2dz2 -0.000121 0.000209 -0.000626 0.000066 0.000090 -0.000221 1Rh 2dxz 0.000049 0.000865 0.000292 0.000104 -0.000184 -0.000508 1Rh 2dyz -0.000391 0.000129 -0.000168 -0.000578 0.000404 -0.000241 1Rh 2dx2y2 -0.000564 -0.000724 0.000374 -0.000442 -0.000430 -0.000339 1Rh 2dxy 0.000002 -0.000478 -0.000187 0.000369 0.000588 -0.000547 1Rh 3dz2 -0.012171 -0.009943 0.009186 0.009901 -0.000474 0.001140 1Rh 3dxz 0.008115 -0.004696 -0.031532 -0.020605 -0.000980 -0.005148 1Rh 3dyz 0.012515 -0.002077 -0.010513 -0.002008 -0.007178 0.007652 1Rh 3dx2y2 -0.007295 0.013440 -0.016168 0.004260 -0.004155 0.005567 1Rh 3dxy -0.015915 0.003526 0.009096 -0.013268 0.000400 0.003452 1Rh 4dz2 -0.011589 -0.003855 -0.003178 0.008548 0.001053 -0.002806 1Rh 4dxz 0.006919 0.010453 -0.019832 -0.013556 -0.003268 -0.011055 1Rh 4dyz 0.003567 0.000192 -0.011578 -0.011307 0.001161 0.001982 1Rh 4dx2y2 -0.014774 -0.002217 -0.006763 -0.004225 -0.009368 -0.000860 1Rh 4dxy -0.012181 -0.004978 0.003602 -0.004613 0.008951 -0.005328 1Rh 5dz2 -0.012394 -0.043503 0.056680 0.014852 -0.001771 0.015519 1Rh 5dxz 0.018167 -0.059783 -0.079181 -0.065302 0.003552 -0.003848 1Rh 5dyz 0.055258 -0.008506 -0.003264 0.033384 -0.037469 0.028722 1Rh 5dx2y2 0.011769 0.087697 -0.052199 0.050903 -0.002080 0.028636 1Rh 5dxy -0.032442 0.034735 0.034208 -0.036724 -0.016979 0.025027 1Rh 1f0 -0.000924 -0.001814 -0.000516 -0.000864 0.001157 -0.002247 1Rh 1f+1 0.000670 0.004012 -0.000398 0.000808 -0.000483 -0.003399 1Rh 1f-1 -0.000360 0.002021 0.001639 0.001438 0.000132 -0.003878 1Rh 1f+2 0.000754 -0.000005 -0.002237 0.001551 0.002382 0.004731 1Rh 1f-2 0.001539 -0.000123 -0.001459 0.000872 0.004142 -0.000847 1Rh 1f+3 -0.000573 0.005097 -0.000276 0.002738 -0.003699 -0.000163 1Rh 1f-3 -0.000635 0.001447 -0.000173 0.000839 0.003915 -0.001363 2C 1s -0.001455 0.000141 -0.000857 0.000742 -0.003380 -0.002908 2C 2s -0.002941 0.000284 -0.001503 0.001855 -0.006711 -0.006093 2C 3s -0.006266 0.003057 -0.009097 -0.008652 -0.011674 0.000877 2C 4s 0.087079 -0.018483 0.085482 0.045206 0.189488 0.116256 2C 5s -0.361404 0.194596 0.379118 -0.772219 -0.233948 -1.263687 2C 1pz 0.027493 0.006719 -0.023954 -0.014763 0.025772 0.005182 2C 1px 0.004386 -0.018042 0.014841 -0.008244 0.023779 -0.041102 2C 1py 0.009184 -0.010835 0.008944 0.021181 -0.013586 0.018261 2C 2pz 0.047253 -0.005652 0.001248 -0.014151 0.038953 -0.024697 2C 2px -0.007438 0.004206 -0.003365 -0.039590 0.004698 -0.036876 2C 2py -0.027797 -0.006605 0.021347 0.017422 -0.019290 0.002019 2C 3pz -0.415898 0.310354 -0.146093 0.043773 -0.324001 -0.213200 2C 3px -0.197377 -0.981684 -0.272548 0.377065 -0.902933 0.432974 2C 3py 0.684991 -0.181438 0.358235 -0.482605 0.741813 -0.440969 2C 1dz2 -0.000172 -0.002353 0.001834 0.002024 -0.000055 0.000453 2C 1dxz -0.006257 0.000126 -0.007588 -0.004018 -0.007130 0.003650 2C 1dyz 0.000471 0.004757 0.004149 0.000802 0.003422 -0.002049 2C 1dx2y2 -0.001750 0.006964 0.001436 0.001641 0.003461 -0.003367 2C 1dxy 0.008220 0.001996 0.003086 -0.009890 0.010691 -0.003964 2C 2dz2 0.010503 -0.005435 0.018694 -0.002424 0.009717 -0.012097 2C 2dxz 0.021413 0.017814 0.028569 -0.027258 0.054882 -0.043604 2C 2dyz -0.026180 -0.010912 -0.015818 0.010174 -0.038071 0.016558 2C 2dx2y2 0.022614 -0.006657 -0.012732 -0.016727 0.002623 0.016577 2C 2dxy -0.018608 0.000678 -0.005626 0.014762 -0.029049 0.010241 2C 1f0 0.002508 -0.001598 0.000612 -0.002071 0.002017 0.000270 2C 1f+1 -0.003309 0.000132 -0.002501 0.001921 -0.005187 0.003511 2C 1f-1 -0.000144 -0.000238 0.001673 0.001936 0.000996 -0.001661 2C 1f+2 0.000367 0.002016 0.001397 -0.001073 0.001694 -0.003571 2C 1f-2 0.003465 0.001630 0.001915 -0.003007 0.005653 -0.001912 2C 1f+3 0.000893 0.000743 0.000306 -0.002880 0.002040 -0.002149 2C 1f-3 -0.002629 -0.001804 -0.002942 0.001541 -0.005441 0.004308 3C 1s 0.002547 -0.000596 0.000710 0.002471 -0.001656 0.002135 3C 2s 0.005135 -0.001221 0.001439 0.005223 -0.003393 0.004273 3C 3s 0.009247 0.000902 -0.000995 0.002873 0.000405 0.007381 3C 4s -0.148571 0.015831 -0.017438 -0.095700 0.067878 -0.113016 3C 5s 0.392919 0.222680 -0.057964 -1.079142 -1.279937 0.078841 3C 1pz -0.015949 -0.000935 -0.009132 0.036423 0.056327 0.025157 3C 1px -0.009512 -0.018560 0.017134 -0.040958 -0.024858 0.018071 3C 1py 0.000260 0.001397 -0.000091 0.007241 0.017718 0.033943 3C 2pz -0.017824 -0.005021 0.022237 -0.009918 0.030353 0.026623 3C 2px 0.021966 0.017472 -0.019710 -0.059549 -0.022370 0.029381 3C 2py 0.025687 0.012167 -0.013287 0.027119 0.052622 0.046935 3C 3pz -0.610465 0.422474 -0.331522 -0.577016 -0.882502 -0.875195 3C 3px -0.048886 -1.056709 -0.137998 0.522778 0.204689 -0.811088 3C 3py -0.484462 -0.170447 -0.275444 0.142547 -0.020563 -0.785008 3C 1dz2 0.003224 -0.002260 0.004421 0.003894 0.004955 0.008252 3C 1dxz 0.002254 -0.004981 -0.009649 0.004556 0.003956 -0.009049 3C 1dyz 0.010238 -0.002618 -0.001335 0.006291 0.006900 0.004582 3C 1dx2y2 -0.004178 0.004496 -0.004928 -0.002180 -0.004947 -0.006031 3C 1dxy -0.006255 -0.005757 0.002409 0.001947 -0.002306 -0.006514 3C 2dz2 0.012309 0.000140 0.005774 -0.001785 -0.001046 -0.002041 3C 2dxz -0.001031 0.014955 0.030472 -0.033266 -0.024159 0.046696 3C 2dyz -0.035380 0.017475 -0.006737 -0.049749 -0.056717 -0.038092 3C 2dx2y2 0.026070 -0.003751 0.005085 0.026864 0.046078 0.044173 3C 2dxy 0.007256 -0.012632 0.002766 0.022483 0.033006 0.015569 3C 1f0 0.002934 -0.000821 0.001083 0.003142 0.006039 0.006394 3C 1f+1 0.002815 -0.001817 -0.002856 0.005190 0.005955 -0.000510 3C 1f-1 -0.002485 0.000841 -0.002724 -0.003055 -0.003594 -0.005688 3C 1f+2 0.003211 0.000833 -0.002232 0.002754 0.001401 0.000705 3C 1f-2 -0.000662 -0.000232 0.002387 -0.001744 -0.002745 0.001811 3C 1f+3 0.001702 0.001069 0.002423 0.000986 0.002034 0.006711 3C 1f-3 -0.002853 0.003043 0.001897 -0.005768 -0.005685 0.000272 4C 1s 0.006831 -0.002603 -0.006905 0.003571 0.000587 0.007043 4C 2s 0.015569 -0.005398 -0.015032 0.006602 0.001459 0.014207 4C 3s -0.029532 -0.011309 -0.002061 0.004341 -0.031508 0.001523 4C 4s -0.086485 0.139610 0.267080 -0.182928 0.178237 -0.235825 4C 5s -0.366477 -0.142883 -0.174565 1.803318 -0.179944 1.432423 4C 1pz 0.024032 -0.022679 0.031570 -0.002959 0.018301 -0.020141 4C 1px 0.015396 0.065120 -0.001672 -0.038964 0.028244 0.004868 4C 1py -0.080777 0.015725 -0.043832 0.011474 -0.049013 -0.002319 4C 2pz 0.052372 0.014887 0.166095 0.100462 0.093321 -0.069213 4C 2px 0.059579 0.005127 -0.142643 -0.298132 0.055772 0.052218 4C 2py -0.196913 0.021401 -0.098313 -0.003923 -0.085232 -0.000521 4C 3pz -0.185237 -0.151193 0.422339 0.351193 0.092089 -0.392761 4C 3px -0.026400 0.698800 -0.424760 -1.135523 0.511026 -0.199084 4C 3py 0.023816 0.168798 0.188389 -0.019184 0.012646 -0.167316 4C 1dz2 0.002482 0.001855 0.001737 -0.004626 0.004877 -0.001585 4C 1dxz 0.000221 -0.003875 0.002870 0.006020 0.001094 -0.001033 4C 1dyz 0.001947 0.000676 -0.002184 -0.003097 0.000149 -0.000261 4C 1dx2y2 0.007507 -0.000205 0.000096 -0.005064 0.006545 -0.000540 4C 1dxy 0.002505 -0.003026 0.003922 0.000635 0.001999 -0.000444 4C 2dz2 0.001251 0.024477 0.032517 0.045334 0.003686 -0.024401 4C 2dxz 0.000498 -0.031081 -0.086785 -0.089041 -0.053947 0.015980 4C 2dyz 0.017957 0.014255 0.003447 0.003691 0.037734 0.006126 4C 2dx2y2 -0.000282 0.001764 0.014544 0.027780 0.017308 0.035712 4C 2dxy 0.012297 -0.023596 -0.030407 -0.063576 0.018196 0.035252 4C 1f0 -0.001681 0.002170 -0.000910 0.001136 -0.000682 -0.001235 4C 1f+1 -0.000746 -0.003195 -0.004585 -0.002553 -0.002862 -0.001882 4C 1f-1 -0.000053 0.000095 0.002496 0.002063 -0.000129 -0.001522 4C 1f+2 0.001594 0.000030 0.004232 0.002563 0.004169 0.000580 4C 1f-2 0.001080 -0.003313 -0.003566 -0.005248 -0.003001 0.001480 4C 1f+3 -0.003608 -0.001320 0.000097 0.003550 -0.000975 0.000132 4C 1f-3 0.001660 0.002006 0.002100 0.003652 -0.002734 -0.004423 5C 1s -0.000299 -0.003335 0.000579 0.006276 0.006736 -0.001156 5C 2s -0.001041 -0.007092 0.001339 0.012348 0.013430 -0.002656 5C 3s 0.007009 -0.004564 0.012307 0.023146 0.011367 0.011732 5C 4s -0.006818 0.134896 -0.111090 -0.388919 -0.275848 -0.034400 5C 5s 0.251499 -0.140230 -0.372212 1.931551 1.563061 0.233513 5C 1pz 0.072313 -0.024523 0.050758 -0.000182 -0.003080 0.052084 5C 1px 0.031941 0.072933 -0.022978 -0.009008 0.001448 0.025818 5C 1py 0.038940 0.010263 0.019166 -0.008532 0.013569 0.036198 5C 2pz 0.098328 -0.018030 0.194730 -0.063587 -0.057863 0.156700 5C 2px 0.278018 0.079519 -0.311420 0.081312 0.111161 -0.090786 5C 2py 0.152114 -0.016347 0.013790 0.020520 0.079930 0.072567 5C 3pz -0.261735 -0.253686 0.117548 0.042770 -0.088509 0.159170 5C 3px 0.714432 0.956970 -1.010213 -0.233745 0.059042 -0.023542 5C 3py -0.093254 0.028572 -0.023675 0.433299 0.574957 0.198829 5C 1dz2 0.006526 0.001048 0.000471 0.006353 0.003025 0.006682 5C 1dxz 0.001289 -0.002520 0.002374 0.000686 0.000800 0.004025 5C 1dyz -0.000233 -0.001405 0.000719 0.005063 0.000296 -0.001426 5C 1dx2y2 -0.000053 -0.003120 0.004397 -0.001964 0.001132 0.003096 5C 1dxy 0.002684 0.003721 -0.005000 -0.000486 0.001325 0.001035 5C 2dz2 -0.022795 0.004295 0.055744 -0.014391 -0.032446 0.024630 5C 2dxz 0.040938 -0.009895 -0.064410 0.031003 0.005869 -0.046294 5C 2dyz 0.045591 -0.017287 -0.032172 0.038835 0.019861 0.004183 5C 2dx2y2 0.042365 -0.008333 -0.071039 0.013378 0.036607 -0.050050 5C 2dxy -0.072641 0.008171 0.095405 -0.057752 -0.038565 0.041092 5C 1f0 0.000549 0.000274 -0.004432 0.003307 -0.000332 -0.003197 5C 1f+1 -0.005288 -0.000219 0.004415 0.000104 -0.003541 0.003914 5C 1f-1 0.002468 -0.000773 -0.003536 0.001554 0.001252 -0.001820 5C 1f+2 0.002355 -0.001066 0.000427 0.000791 0.001401 -0.000278 5C 1f-2 -0.006878 0.000993 0.005962 -0.005579 -0.002696 0.001462 5C 1f+3 -0.000558 -0.003243 0.000885 0.002358 -0.001178 -0.001999 5C 1f-3 0.000539 -0.003413 -0.006170 0.000156 0.003130 -0.002835 6C 1s -0.000897 0.003391 0.000492 0.006480 -0.006625 0.000867 6C 2s -0.002304 0.007196 0.001158 0.012750 -0.013242 0.002052 6C 3s 0.006172 0.004748 0.012358 0.023122 -0.009766 -0.011776 6C 4s 0.017383 -0.134612 -0.108620 -0.395213 0.261528 0.046263 6C 5s 0.222483 0.138956 -0.388531 1.971816 -1.500448 -0.257466 6C 1pz -0.068064 -0.033961 -0.050339 0.001171 -0.001776 0.051799 6C 1px -0.042166 0.067123 0.023075 0.008714 0.001704 0.024625 6C 1py -0.040060 0.004390 -0.019015 0.008438 0.014532 0.036422 6C 2pz -0.096559 -0.028627 -0.193045 0.066940 -0.053257 0.156627 6C 2px -0.282044 0.034606 0.307689 -0.085454 0.109600 -0.092766 6C 2py -0.146857 -0.039846 -0.013691 -0.021249 0.080896 0.073422 6C 3pz 0.291219 -0.210117 -0.115181 -0.034470 -0.091740 0.155722 6C 3px -0.833933 0.832552 1.000192 0.219976 0.067386 -0.047093 6C 3py 0.090162 0.044250 0.026220 -0.438196 0.556614 0.194847 6C 1dz2 0.006602 -0.000183 0.000417 0.006323 -0.002832 -0.006646 6C 1dxz 0.000901 0.002481 0.002338 0.000671 -0.000785 -0.003985 6C 1dyz -0.000460 0.001225 0.000714 0.005110 -0.000108 0.001387 6C 1dx2y2 -0.000513 0.003134 0.004359 -0.002042 -0.001269 -0.003067 6C 1dxy 0.003215 -0.003272 -0.005006 -0.000442 -0.001329 -0.000899 6C 2dz2 -0.021435 -0.007825 0.055677 -0.015378 0.032085 -0.024366 6C 2dxz 0.038474 0.016532 -0.063590 0.030556 -0.004618 0.046158 6C 2dyz 0.041828 0.024135 -0.031867 0.038592 -0.018444 -0.003917 6C 2dx2y2 0.039530 0.015108 -0.070234 0.015380 -0.036383 0.049369 6C 2dxy -0.069740 -0.020412 0.094255 -0.058695 0.037407 -0.040723 6C 1f0 -0.000540 0.000152 0.004344 -0.003296 -0.000477 -0.003111 6C 1f+1 0.005133 0.000584 -0.004376 0.000049 -0.003603 0.003942 6C 1f-1 -0.002310 -0.001187 0.003500 -0.001603 0.001228 -0.001793 6C 1f+2 -0.002169 -0.001357 -0.000421 -0.000832 0.001438 -0.000223 6C 1f-2 0.006569 0.002083 -0.005881 0.005605 -0.002537 0.001424 6C 1f+3 0.001054 -0.003115 -0.000929 -0.002282 -0.001334 -0.001922 6C 1f-3 -0.000013 -0.003510 0.006148 -0.000238 0.003139 -0.002856 7C 1s 0.006565 0.003729 -0.006846 0.003368 -0.000560 -0.006692 7C 2s 0.015016 0.007988 -0.014894 0.006180 -0.001432 -0.013377 7C 3s -0.031132 0.005962 -0.002254 0.003895 0.031653 -0.003270 7C 4s -0.068925 -0.151144 0.266664 -0.174572 -0.181179 0.234207 7C 5s -0.377670 0.049800 -0.188425 1.774166 0.230361 -1.497168 7C 1pz -0.020342 -0.025525 -0.031719 0.002515 0.019034 -0.018914 7C 1px -0.024914 0.063147 0.001951 0.037441 0.029743 0.003857 7C 1py 0.076565 0.026962 0.043255 -0.010056 -0.050143 -0.002419 7C 2pz -0.052671 0.006058 -0.165358 -0.103390 0.091660 -0.063486 7C 2px -0.060417 0.007333 0.143415 0.292812 0.062814 0.046511 7C 2py 0.190461 0.050929 0.097391 0.004939 -0.088033 0.000256 7C 3pz 0.203703 -0.139480 -0.423890 -0.352262 0.078162 -0.370054 7C 3px -0.079514 0.718805 0.420597 1.104914 0.546078 -0.237146 7C 3py -0.054285 0.167559 -0.194048 0.019617 0.018007 -0.177417 7C 1dz2 0.002680 -0.001576 0.001707 -0.004409 -0.005004 0.001593 7C 1dxz -0.000396 0.003887 0.002835 0.006064 -0.000950 0.000719 7C 1dyz 0.002103 -0.000263 -0.002115 -0.003154 -0.000273 0.000607 7C 1dx2y2 0.007315 0.001459 0.000091 -0.004874 -0.006679 0.000854 7C 1dxy 0.002023 0.003485 0.003927 0.000615 -0.002011 0.000554 7C 2dz2 0.004212 -0.022049 0.032891 0.044796 -0.003085 0.024734 7C 2dxz -0.003898 0.027259 -0.086964 -0.089747 0.052638 -0.014319 7C 2dyz 0.019307 -0.010890 0.003105 0.004475 -0.037403 -0.005660 7C 2dx2y2 0.000364 -0.001815 0.014157 0.027197 -0.015908 -0.035795 7C 2dxy 0.008931 0.022209 -0.030495 -0.062575 -0.019302 -0.034535 7C 1f0 0.001359 0.002296 0.000954 -0.001148 -0.000723 -0.001232 7C 1f+1 0.001252 -0.002911 0.004564 0.002512 -0.002784 -0.001870 7C 1f-1 0.000017 -0.000018 -0.002523 -0.002043 -0.000107 -0.001474 7C 1f+2 -0.001590 -0.000304 -0.004263 -0.002591 0.004144 0.000638 7C 1f-2 -0.000627 -0.003249 0.003583 0.005300 -0.002929 0.001463 7C 1f+3 0.003804 -0.000945 -0.000104 -0.003453 -0.001164 0.000182 7C 1f-3 -0.001830 0.001601 -0.002118 -0.003636 -0.002769 -0.004360 8C 1s 0.002431 0.000941 0.000716 0.002392 0.001698 -0.002114 8C 2s 0.004894 0.001926 0.001450 0.005062 0.003488 -0.004221 8C 3s 0.009468 0.000180 -0.001101 0.002805 -0.000567 -0.007311 8C 4s -0.145513 -0.035590 -0.017202 -0.091850 -0.068283 0.111284 8C 5s 0.426153 -0.154856 -0.045407 -1.107632 1.240987 -0.059013 8C 1pz 0.016077 0.001844 0.009831 -0.036933 0.055023 0.025603 8C 1px 0.011948 -0.016731 -0.016834 0.042219 -0.023877 0.016823 8C 1py -0.000577 0.002353 0.000492 -0.006701 0.016835 0.032662 8C 2pz 0.018261 -0.001752 -0.021676 0.009703 0.030821 0.027808 8C 2px -0.024614 0.014125 0.019892 0.060071 -0.020701 0.026966 8C 2py -0.027572 0.009490 0.014301 -0.027156 0.051693 0.045197 8C 3pz 0.542951 0.495085 0.323359 0.574070 -0.871249 -0.872393 8C 3px 0.203907 -1.043928 0.131323 -0.522055 0.190566 -0.780457 8C 3py 0.503019 -0.098725 0.269802 -0.153257 -0.031305 -0.765182 8C 1dz2 0.002897 0.002730 0.004234 0.003926 -0.004958 -0.008060 8C 1dxz 0.001264 0.005281 -0.009601 0.004575 -0.003625 0.009117 8C 1dyz 0.009607 0.004145 -0.001468 0.006339 -0.006793 -0.004363 8C 1dx2y2 -0.003451 -0.005025 -0.004791 -0.002182 0.004944 0.005903 8C 1dxy -0.007102 0.004696 0.002419 0.001867 0.002477 0.006346 8C 2dz2 0.012069 0.001444 0.006249 -0.002175 0.001148 0.001257 8C 2dxz 0.001681 -0.015406 0.030129 -0.033870 0.022605 -0.045942 8C 2dyz -0.032067 -0.021716 -0.006076 -0.050189 0.055256 0.037435 8C 2dx2y2 0.025014 0.007283 0.004232 0.026765 -0.045319 -0.042927 8C 2dxy 0.005486 0.013288 0.002320 0.023268 -0.033138 -0.015964 8C 1f0 -0.002793 -0.001199 -0.000935 -0.003208 0.006035 0.006253 8C 1f+1 -0.002462 -0.002177 0.002882 -0.005283 0.005728 -0.000543 8C 1f-1 0.002346 0.001103 0.002638 0.003066 -0.003573 -0.005610 8C 1f+2 -0.003268 0.000378 0.002278 -0.002748 0.001305 0.000578 8C 1f-2 0.000578 -0.000131 -0.002368 0.001733 -0.002587 0.001856 8C 1f+3 -0.001907 0.000848 -0.002289 -0.001024 0.002086 0.006586 8C 1f-3 0.002308 0.003376 -0.001963 0.005872 -0.005506 0.000307 9C 1s -0.001393 -0.000347 -0.000818 0.000719 0.003377 0.002751 9C 2s -0.002825 -0.000681 -0.001434 0.001826 0.006735 0.005744 9C 3s -0.005517 -0.004428 -0.008720 -0.009161 0.010841 -0.000518 9C 4s 0.081346 0.033170 0.081980 0.048764 -0.184475 -0.112987 9C 5s -0.325239 -0.233372 0.394490 -0.760005 0.206280 1.268447 9C 1pz -0.028608 0.002005 0.023862 0.013776 0.026090 0.004808 9C 1px -0.002472 -0.020211 -0.014863 0.007818 0.024743 -0.042097 9C 1py -0.007556 -0.011858 -0.009296 -0.019154 -0.013888 0.016162 9C 2pz -0.046510 -0.013809 -0.001597 0.011956 0.039793 -0.024433 9C 2px 0.004423 0.004804 0.003918 0.039300 0.006912 -0.037872 9C 2py 0.028989 -0.002928 -0.021578 -0.016170 -0.021160 -0.000279 9C 3pz 0.356009 0.359303 0.138229 -0.032706 -0.324780 -0.234562 9C 3px 0.339914 -0.941558 0.270369 -0.344545 -0.932445 0.459034 9C 3py -0.641427 -0.281228 -0.353667 0.449588 0.754607 -0.425127 9C 1dz2 -0.000520 0.002358 0.001832 0.002006 0.000058 -0.000581 9C 1dxz -0.006027 -0.001028 -0.007575 -0.004301 0.007146 -0.003484 9C 1dyz 0.000901 -0.004568 0.003988 0.001005 -0.003224 0.002076 9C 1dx2y2 -0.001006 -0.006996 0.001246 0.001931 -0.003107 0.003387 9C 1dxy 0.008278 -0.001192 0.003103 -0.009308 -0.011122 0.004099 9C 2dz2 0.009175 0.006657 0.018372 -0.001271 -0.009382 0.010468 9C 2dxz 0.023161 -0.013888 0.028512 -0.024340 -0.056081 0.044198 9C 2dyz -0.026696 0.006241 -0.015432 0.008850 0.037726 -0.017207 9C 2dx2y2 0.021994 0.009453 -0.012627 -0.017180 -0.004046 -0.016428 9C 2dxy -0.017615 -0.003400 -0.005718 0.012607 0.029126 -0.009513 9C 1f0 -0.002255 -0.001884 -0.000624 0.001960 0.002115 0.000393 9C 1f+1 0.003138 0.000668 0.002539 -0.001622 -0.005259 0.003582 9C 1f-1 0.000284 -0.000299 -0.001604 -0.002005 0.000800 -0.001622 9C 1f+2 -0.000507 0.001860 -0.001323 0.000927 0.001574 -0.003552 9C 1f-2 -0.003586 0.001088 -0.001892 0.002746 0.005708 -0.002051 9C 1f+3 -0.001047 0.000696 -0.000400 0.002693 0.002326 -0.002151 9C 1f-3 0.002776 -0.001250 0.002934 -0.001252 -0.005468 0.004391 10H 1s 0.004679 0.008495 0.016387 0.021627 0.010434 -0.010198 10H 2s 0.044186 0.119986 0.172146 0.105334 0.205240 -0.182900 10H 3s 0.141576 0.716916 0.028290 0.013658 0.417827 0.062000 10H 1pz -0.005248 0.004750 0.001270 0.001740 0.001790 -0.008908 10H 1px -0.002021 0.000164 -0.012477 -0.003226 -0.010196 0.013566 10H 1py 0.010241 0.001227 0.007244 -0.008309 0.016135 -0.009145 11H 1s -0.019892 -0.004839 -0.021464 0.003265 -0.028080 0.009004 11H 2s -0.236039 -0.062270 -0.203694 0.148492 -0.401014 0.200101 11H 3s -0.347968 -0.277476 -0.389325 0.244983 -0.423259 0.177928 11H 1pz -0.009528 0.001985 -0.005108 0.010869 -0.017700 0.008384 11H 1px -0.006116 -0.008630 -0.008505 0.002497 -0.019681 0.012409 11H 1py 0.007894 -0.004985 0.003187 -0.001987 0.007574 -0.003008 12H 1s 0.016007 -0.006890 -0.000904 -0.021640 0.010949 -0.004337 12H 2s 0.146540 -0.072734 -0.010028 -0.186741 0.124418 -0.007062 12H 3s 0.590806 -0.562509 0.207526 -0.014913 0.282829 0.041810 12H 1pz -0.000786 -0.004109 -0.000583 0.006105 -0.002394 0.001516 12H 1px -0.006018 -0.007539 -0.010144 -0.001966 -0.012851 0.007840 12H 1py 0.005583 0.004137 -0.000020 -0.012344 0.010743 -0.004308 13H 1s -0.023678 0.004843 0.025211 -0.010299 -0.018260 0.006122 13H 2s -0.198581 0.111316 0.211454 -0.235978 -0.283389 0.070245 13H 3s -0.293524 0.738327 -0.071322 -0.069333 -0.009823 0.138817 13H 1pz -0.013349 0.001981 0.003077 -0.017672 -0.023178 -0.011912 13H 1px 0.003510 0.000440 -0.014081 0.011211 0.011308 -0.010053 13H 1py -0.004607 -0.005240 -0.007686 0.008132 0.006376 -0.012957 14H 1s -0.001059 -0.004356 -0.027413 0.005311 -0.002505 -0.030022 14H 2s -0.021681 -0.065251 -0.250801 0.092530 -0.015575 -0.401241 14H 3s -0.436695 -0.600639 -0.228342 0.234531 0.064444 -0.682018 14H 1pz -0.008034 0.007095 -0.005973 -0.006552 -0.012929 -0.017872 14H 1px 0.009950 -0.002892 -0.011880 0.009506 0.004453 -0.014917 14H 1py -0.002138 0.006569 -0.005424 -0.004452 -0.003449 -0.002020 15H 1s 0.028253 -0.004790 0.007649 0.011396 0.016505 0.027239 15H 2s 0.264099 -0.072926 0.072919 0.251218 0.330367 0.375335 15H 3s 0.532565 -0.253325 0.321012 0.077654 0.211615 0.383866 15H 1pz -0.009171 0.000831 0.001199 -0.009957 -0.014046 -0.012677 15H 1px 0.004729 -0.010152 -0.007811 0.012998 0.011484 -0.005108 15H 1py -0.007797 0.000656 -0.003707 -0.015893 -0.018709 -0.022946 16H 1s -0.005448 -0.013870 0.022244 0.029877 -0.000856 0.013875 16H 2s -0.059813 -0.028778 0.149595 0.093564 -0.006744 0.098505 16H 3s 0.017079 -0.141606 0.119727 0.491241 0.066977 0.019472 16H 1pz -0.003335 0.006165 0.005707 -0.007272 -0.000379 0.004787 16H 1px 0.000262 -0.003480 0.004491 0.006810 0.001035 0.002574 16H 1py -0.000368 0.002107 0.001237 -0.001224 -0.000077 0.001596 17H 1s 0.016887 0.011998 -0.034560 0.001757 -0.012199 -0.009003 17H 2s 0.093719 0.110358 -0.156948 -0.081826 -0.050388 -0.053145 17H 3s 0.166819 0.051260 -0.337078 0.280632 -0.031061 -0.036758 17H 1pz -0.002211 -0.006946 0.003839 0.007985 0.001256 0.002465 17H 1px 0.001821 -0.003622 -0.006907 0.008612 -0.002764 -0.000136 17H 1py 0.000278 0.004111 0.000785 -0.005023 -0.000726 -0.000868 18H 1s 0.018022 -0.009495 -0.034583 0.001171 0.011915 0.009746 18H 2s 0.105407 -0.096202 -0.155322 -0.083283 0.046399 0.059235 18H 3s 0.168152 -0.030242 -0.338788 0.279446 0.037088 0.034626 18H 1pz 0.003119 -0.006664 -0.003665 -0.008101 0.000979 0.002902 18H 1px -0.001297 -0.003821 0.007134 -0.008375 -0.002978 0.000007 18H 1py -0.000808 0.003795 -0.000950 0.004679 -0.000576 -0.000957 19H 1s -0.006436 0.013490 0.021873 0.029662 0.001923 -0.014867 19H 2s -0.059087 0.022096 0.147629 0.093686 0.012502 -0.104741 19H 3s 0.003160 0.146991 0.119606 0.492892 -0.054163 -0.029005 19H 1pz 0.002504 0.006553 -0.005650 0.007112 -0.000456 0.004847 19H 1px 0.000036 -0.003651 -0.004380 -0.006807 0.000823 0.002658 19H 1py 0.000230 0.002244 -0.001399 0.001311 -0.000184 0.001803 20H 1s 0.027172 0.008826 0.007246 0.011312 -0.016542 -0.026744 20H 2s 0.249749 0.107480 0.067339 0.251707 -0.325746 -0.369128 20H 3s 0.487627 0.335569 0.317388 0.075254 -0.219383 -0.379358 20H 1pz 0.008938 0.001867 -0.001369 0.009993 -0.013766 -0.012515 20H 1px -0.003128 -0.010731 0.007824 -0.013248 0.011202 -0.004858 20H 1py 0.007591 0.001434 0.003386 0.015841 -0.018208 -0.022541 21H 1s -0.002030 0.004502 -0.027000 0.005471 0.002947 0.029785 21H 2s -0.033572 0.064613 -0.246070 0.096290 0.020737 0.394397 21H 3s -0.525503 0.530800 -0.227348 0.233680 -0.049982 0.667795 21H 1pz 0.006805 0.008023 0.005784 0.006371 -0.012774 -0.017620 21H 1px -0.009362 -0.004566 0.011619 -0.009863 0.004303 -0.014510 21H 1py 0.001091 0.006725 0.005364 0.004373 -0.003365 -0.002164 22H 1s -0.022409 -0.008430 0.025133 -0.010564 0.017914 -0.006416 22H 2s -0.177293 -0.140031 0.210966 -0.239807 0.275961 -0.069253 22H 3s -0.178775 -0.772381 -0.073121 -0.058511 0.009097 -0.137575 22H 1pz 0.012795 0.003842 -0.003115 0.017836 -0.022641 -0.011939 22H 1px -0.003468 -0.000208 0.014014 -0.011618 0.011010 -0.009766 22H 1py 0.005322 -0.004530 0.007640 -0.008432 0.006102 -0.012609 23H 1s 0.014900 0.008615 -0.000657 -0.020875 -0.011750 0.004397 23H 2s 0.133458 0.087912 -0.009545 -0.177251 -0.130285 0.001225 23H 3s 0.501645 0.634363 0.207968 -0.015560 -0.289421 -0.045456 23H 1pz 0.001310 -0.004032 0.000525 -0.005893 -0.002517 0.001569 23H 1px 0.006904 -0.006457 0.010074 0.002161 -0.013020 0.008226 23H 1py -0.005847 0.003416 0.000222 0.011438 0.010870 -0.003722 24H 1s -0.019812 0.001925 -0.021310 0.001948 0.028303 -0.008702 24H 2s -0.236972 0.024792 -0.202404 0.130201 0.406476 -0.199944 24H 3s -0.374861 0.245878 -0.384519 0.228083 0.441108 -0.173506 24H 1pz 0.008911 0.003612 0.004998 -0.009993 -0.017801 0.008227 24H 1px 0.007219 -0.006994 0.008485 -0.001724 -0.019915 0.012723 24H 1py -0.006939 -0.006370 -0.003103 0.001539 0.007314 -0.002671 25H 1s 0.005548 -0.007004 0.016262 0.021939 -0.009885 0.009861 25H 2s 0.058106 -0.104589 0.171142 0.112432 -0.203867 0.184952 25H 3s 0.240174 -0.694261 0.021866 0.029361 -0.418235 -0.051318 25H 1pz 0.004424 0.005040 -0.001462 -0.001822 0.001865 -0.009409 25H 1px 0.001894 0.000918 0.012535 0.003560 -0.010397 0.013591 25H 1py -0.010133 -0.000243 -0.007078 0.007661 0.016397 -0.009027 26O 1s -0.004562 0.013631 -0.004312 -0.013154 0.002149 -0.005753 26O 2s -0.011452 0.033361 -0.011188 -0.033234 0.005396 -0.014049 26O 3s 0.023938 -0.057658 0.027236 0.068890 -0.010668 0.025912 26O 4s 0.002981 -0.081319 -0.013627 0.012151 0.008026 0.021137 26O 5s 0.210458 -0.300865 0.411578 0.875376 -0.316033 0.020733 26O 1pz 0.022561 -0.028953 -0.020629 -0.030571 -0.016295 0.017411 26O 1px -0.004758 0.003921 0.010377 0.034700 -0.020023 -0.023540 26O 1py -0.045875 -0.033709 0.016115 0.004707 0.002270 0.010060 26O 2pz 0.031702 -0.019744 -0.005491 -0.042363 0.016735 -0.005102 26O 2px 0.005104 -0.003542 -0.012660 -0.028531 0.001869 -0.008918 26O 2py -0.053301 -0.026654 0.014817 -0.011489 0.002867 0.007503 26O 3pz -0.017596 -0.050796 -0.103181 0.067695 -0.171333 0.224865 26O 3px -0.098697 -0.006836 -0.076895 -0.051901 -0.001204 0.065233 26O 3py -0.018810 -0.063981 -0.030406 -0.042140 0.053748 0.155555 26O 1dz2 0.000453 -0.000734 0.001174 0.000476 0.001144 -0.000431 26O 1dxz -0.001292 0.001923 0.000003 -0.000429 -0.000101 0.001200 26O 1dyz 0.000206 0.001817 -0.001030 -0.000672 -0.000103 -0.000385 26O 1dx2y2 -0.002221 -0.000317 0.000216 -0.001345 0.000338 0.000440 26O 1dxy 0.000823 0.002005 0.000194 -0.001901 0.001177 0.000522 26O 2dz2 0.005509 -0.005905 -0.008335 -0.010660 0.004928 0.005134 26O 2dxz -0.002702 0.002456 0.000103 -0.001731 -0.000666 -0.001782 26O 2dyz -0.000204 0.000222 -0.000254 -0.000523 -0.003238 0.004879 26O 2dx2y2 -0.001841 0.003122 0.011056 0.013407 -0.001451 -0.008695 26O 2dxy 0.004088 0.004739 0.005814 0.007564 0.002523 -0.007083 26O 1f0 0.000230 0.000074 -0.000448 0.000100 -0.000363 0.000091 26O 1f+1 -0.000358 0.000100 0.000330 0.000974 -0.000642 0.000147 26O 1f-1 -0.000057 -0.000580 -0.000111 0.000339 -0.000570 0.000555 26O 1f+2 0.000249 0.000363 -0.000028 -0.000467 0.000293 -0.000437 26O 1f-2 -0.000143 -0.000480 0.000296 0.000498 0.000164 0.000220 26O 1f+3 -0.000457 -0.000083 0.000426 0.000631 -0.000411 -0.000041 26O 1f-3 0.000430 0.000332 0.000409 0.000321 0.000240 -0.000089 27O 1s 0.008272 0.015560 -0.012966 -0.001046 -0.004765 -0.001340 27O 2s 0.021291 0.038252 -0.032772 -0.002393 -0.011385 -0.003197 27O 3s -0.048548 -0.067747 0.066702 0.002418 0.017711 0.001618 27O 4s 0.022312 -0.081665 0.003825 0.012622 0.038252 0.029648 27O 5s -0.893284 -0.511879 1.279533 -0.163196 -0.158267 0.223420 27O 1pz 0.024837 0.000859 -0.024953 -0.023738 0.029021 -0.019318 27O 1px 0.003724 -0.006319 0.014664 0.010391 -0.009583 0.016828 27O 1py -0.000734 0.041611 0.026403 -0.026127 -0.015635 0.016482 27O 2pz 0.017950 0.008464 -0.009850 -0.040201 0.010318 0.004184 27O 2px 0.045889 -0.000310 -0.055097 0.008317 0.003590 -0.012302 27O 2py 0.004688 0.029067 0.039299 0.003541 0.018452 0.047068 27O 3pz -0.006970 -0.014646 0.008875 0.034481 0.157514 -0.085852 27O 3px 0.299504 0.055988 -0.366616 0.174194 0.213693 -0.123235 27O 3py -0.120321 0.056849 0.018499 -0.224944 -0.333874 -0.097533 27O 1dz2 -0.000613 -0.001901 0.002582 0.001065 -0.000378 0.001472 27O 1dxz -0.001988 0.000992 0.000441 0.000579 0.000070 0.000287 27O 1dyz 0.000192 -0.000421 0.000560 -0.000245 0.000970 -0.000207 27O 1dx2y2 0.001447 0.001063 -0.001854 0.000873 0.000512 -0.000462 27O 1dxy -0.001516 -0.002802 0.000486 0.000571 -0.001127 -0.001549 27O 2dz2 0.014822 -0.000704 -0.018094 0.007155 0.011332 -0.000221 27O 2dxz 0.002946 0.000983 -0.006798 0.006454 0.003198 -0.006123 27O 2dyz 0.000027 0.001115 -0.002127 0.000583 -0.004479 0.001213 27O 2dx2y2 -0.021053 0.002655 0.029384 -0.013172 -0.013826 0.018528 27O 2dxy 0.004887 -0.002788 -0.008803 0.006560 0.002844 -0.006411 27O 1f0 -0.000024 0.000386 -0.000697 0.000108 -0.000334 -0.000310 27O 1f+1 -0.001214 0.000174 0.001008 -0.000528 -0.000451 -0.000115 27O 1f-1 -0.000033 0.000113 0.000041 0.000314 -0.000039 0.000107 27O 1f+2 -0.000333 0.000489 0.000464 -0.000729 -0.000567 0.000731 27O 1f-2 -0.000069 0.000393 -0.000374 -0.000393 -0.000499 -0.000085 27O 1f+3 -0.000990 -0.000489 0.001864 -0.000116 0.000167 0.000800 27O 1f-3 0.000178 -0.000012 -0.000574 -0.000042 -0.000050 -0.000584 28O 1s -0.003530 -0.004915 0.010751 0.009733 -0.000558 -0.010935 28O 2s -0.009086 -0.012132 0.026720 0.025015 -0.001664 -0.026075 28O 3s 0.021837 0.023421 -0.047955 -0.056426 0.010159 0.033329 28O 4s -0.014358 0.021294 -0.039993 0.030048 -0.042461 0.136341 28O 5s 0.273079 0.038174 -0.843007 -1.314541 0.037615 0.016674 28O 1pz -0.021033 0.034111 0.028096 0.025525 -0.019088 0.005547 28O 1px 0.008837 0.013076 0.035586 0.003247 0.015843 0.001768 28O 1py 0.006800 0.000359 -0.009185 0.020821 0.035072 0.014890 28O 2pz -0.022377 0.052692 0.069408 0.051651 0.021141 -0.012835 28O 2px 0.006816 -0.000112 -0.008359 -0.043218 -0.000208 0.002723 28O 2py 0.016513 0.004777 0.000749 0.017714 0.049865 0.003199 28O 3pz -0.102598 -0.046897 0.077943 0.320801 -0.168178 0.124789 28O 3px 0.088558 -0.078240 -0.210833 -0.297647 -0.071484 0.088204 28O 3py -0.012796 -0.077822 -0.076933 0.065002 -0.013690 0.105285 28O 1dz2 0.000311 -0.002340 -0.001662 0.000852 -0.000735 0.000638 28O 1dxz 0.001545 0.001575 -0.002076 -0.001733 0.000767 0.001052 28O 1dyz 0.000927 -0.000953 0.001948 -0.000115 -0.000051 -0.000551 28O 1dx2y2 0.000130 0.000803 0.001333 0.000897 0.001847 -0.001438 28O 1dxy -0.000933 0.001733 -0.000733 0.000275 0.000069 -0.000272 28O 2dz2 0.000389 -0.001877 -0.002599 -0.003252 0.003669 -0.002548 28O 2dxz -0.002560 0.012428 0.018536 0.027795 0.009868 -0.003057 28O 2dyz 0.003890 -0.001687 -0.002079 -0.005762 0.003667 -0.002067 28O 2dx2y2 -0.000660 -0.005770 -0.010383 -0.020970 -0.003344 0.001777 28O 2dxy 0.002159 0.002791 -0.005015 -0.000000 0.001081 0.000384 28O 1f0 -0.000347 -0.000293 -0.000409 -0.000793 -0.000692 0.000495 28O 1f+1 0.000274 -0.000432 -0.000588 -0.000545 0.000020 -0.000004 28O 1f-1 -0.000490 0.000206 -0.000462 -0.000093 -0.000123 0.000472 28O 1f+2 0.000037 0.000662 0.001429 0.001554 0.000445 -0.000509 28O 1f-2 0.000394 -0.000055 0.000183 -0.000440 0.000468 -0.000125 28O 1f+3 -0.000235 0.000584 0.000255 0.001096 -0.000160 -0.000139 28O 1f-3 0.000148 -0.000054 0.000193 -0.000102 0.000328 -0.000034 29O 1s 0.000558 0.009795 -0.000867 0.002187 -0.001513 0.003095 29O 2s 0.001411 0.023871 -0.002234 0.005756 -0.003666 0.007575 29O 3s -0.003374 -0.037414 0.006154 -0.017163 0.006164 -0.012696 29O 4s 0.002876 -0.075782 -0.003349 0.015290 0.005291 -0.018659 29O 5s -0.045450 -0.214517 0.041315 -0.144338 0.053201 -0.082576 29O 1pz -0.007009 -0.045469 0.024964 0.039658 0.000115 -0.006329 29O 1px -0.033696 0.082932 0.039417 -0.064216 0.023232 0.012551 29O 1py -0.009830 0.008463 0.000792 0.008071 0.029970 -0.009725 29O 2pz -0.013517 -0.041003 0.036904 0.041779 -0.002286 0.001554 29O 2px -0.035286 0.058471 0.043318 -0.059354 0.032520 0.006668 29O 2py -0.015806 0.014495 0.006172 -0.003132 0.036040 -0.012680 29O 3pz -0.068147 -0.144634 0.152842 0.137929 0.029717 0.043228 29O 3px -0.074271 0.189471 0.087653 -0.045787 -0.014134 0.079094 29O 3py 0.041631 0.050146 -0.035606 0.037842 -0.013463 0.017691 29O 1dz2 -0.000575 -0.001766 0.001887 0.001734 0.000180 0.001106 29O 1dxz 0.001153 -0.000193 -0.002417 -0.000717 -0.000677 -0.001596 29O 1dyz -0.001280 -0.001123 0.002679 0.001487 0.000113 0.001529 29O 1dx2y2 -0.000246 0.002282 -0.000441 -0.000635 0.000184 -0.000101 29O 1dxy -0.000828 -0.000968 0.001336 0.000838 0.001146 0.000331 29O 2dz2 0.001500 -0.007260 0.001394 0.007383 -0.000234 0.000455 29O 2dxz 0.002008 -0.004152 -0.007055 0.001346 -0.003395 -0.002267 29O 2dyz 0.002372 0.000809 -0.001913 -0.000570 -0.001489 -0.000824 29O 2dx2y2 0.000603 0.006348 -0.002017 0.000802 0.001271 0.000297 29O 2dxy -0.002662 0.001658 0.004061 -0.009172 0.004075 -0.002014 29O 1f0 -0.000124 0.000258 0.000482 0.000002 -0.000077 0.000271 29O 1f+1 -0.000278 0.000053 0.000156 -0.000062 0.000129 -0.000035 29O 1f-1 -0.000417 0.001111 0.000543 -0.000811 0.000199 0.000252 29O 1f+2 -0.000081 -0.000420 0.000219 0.000210 0.000104 -0.000006 29O 1f-2 0.000112 0.001134 -0.000025 -0.000970 0.000250 -0.000082 29O 1f+3 0.000177 -0.000554 -0.000250 0.000430 -0.000417 0.000009 29O 1f-3 -0.000361 0.000369 0.000320 -0.000052 0.000077 0.000163 30O 1s -0.006410 -0.006615 0.012010 -0.004377 -0.012283 0.000553 30O 2s -0.016014 -0.016363 0.030235 -0.010216 -0.029510 0.001335 30O 3s 0.028550 0.030969 -0.060192 0.007225 0.040277 -0.000166 30O 4s 0.027120 0.023600 -0.026765 0.074940 0.133463 -0.014462 30O 5s 0.606156 0.241745 -0.906828 0.118386 0.253631 -0.157311 30O 1pz 0.002360 0.019505 0.017806 0.038261 0.013563 -0.018672 30O 1px -0.041530 0.003988 0.042703 -0.033706 0.001064 0.003314 30O 1py 0.021702 -0.014663 -0.004168 0.015084 -0.001152 -0.042299 30O 2pz -0.027892 0.021010 0.039511 0.016706 -0.003908 -0.023856 30O 2px -0.001037 0.001172 -0.011465 0.000577 0.010561 -0.019538 30O 2py 0.049447 -0.029503 -0.034002 0.055693 0.027902 -0.038127 30O 3pz -0.061968 -0.019434 0.116020 0.078483 0.018886 0.070194 30O 3px 0.094831 -0.058162 -0.100652 0.070892 0.170650 -0.058186 30O 3py 0.062354 0.118669 -0.086914 -0.151725 -0.099125 -0.226177 30O 1dz2 -0.000531 -0.001258 -0.002009 -0.000066 0.000385 -0.000442 30O 1dxz 0.001898 0.000608 -0.000665 0.000524 0.001059 0.000543 30O 1dyz 0.001066 0.002431 -0.000894 0.001780 0.000990 0.000147 30O 1dx2y2 -0.000687 0.002018 -0.000400 -0.001631 -0.001674 0.000943 30O 1dxy 0.000296 -0.001967 0.001842 0.000076 -0.000238 0.001461 30O 2dz2 -0.006976 -0.001062 0.004720 -0.002720 0.000196 0.003528 30O 2dxz -0.011892 0.002661 0.016529 -0.001511 -0.005443 0.011281 30O 2dyz -0.007915 0.004004 0.009327 -0.004481 -0.004157 0.005021 30O 2dx2y2 0.007278 -0.001753 -0.010500 0.006166 0.009004 -0.002193 30O 2dxy 0.014002 -0.005773 -0.012287 0.009569 0.009030 -0.009747 30O 1f0 0.000006 -0.000400 -0.000487 -0.000222 0.000106 -0.001016 30O 1f+1 -0.000211 -0.000007 -0.000208 -0.000137 -0.000003 -0.000340 30O 1f-1 -0.000338 -0.000252 -0.000058 -0.000650 -0.000248 -0.000099 30O 1f+2 -0.000649 -0.000067 0.000982 -0.000551 -0.000753 0.000362 30O 1f-2 -0.000869 0.000289 0.000555 -0.000277 -0.000574 0.000226 30O 1f+3 0.000167 0.000165 -0.000086 0.000228 -0.000039 -0.000022 30O 1f-3 -0.001074 0.000303 0.000822 -0.000788 -0.000930 -0.000066 31O 1s -0.007119 0.005370 0.012035 -0.004769 0.012139 -0.000532 31O 2s -0.017768 0.013250 0.030288 -0.011158 0.029173 -0.001300 31O 3s 0.032003 -0.025253 -0.060181 0.008551 -0.040041 0.000381 31O 4s 0.029361 -0.019228 -0.027710 0.078802 -0.131152 0.012888 31O 5s 0.620959 -0.130029 -0.897298 0.124973 -0.248741 0.165298 31O 1pz -0.004298 0.019263 -0.017554 -0.039260 0.012326 -0.017644 31O 1px 0.040221 0.010345 -0.042243 0.033253 0.002040 0.003867 31O 1py -0.018326 -0.018861 0.003710 -0.015238 -0.001386 -0.042005 31O 2pz 0.025181 0.025542 -0.039485 -0.017421 -0.004735 -0.022718 31O 2px 0.001152 0.000979 0.011181 -0.001186 0.010530 -0.018714 31O 2py -0.043037 -0.037819 0.033534 -0.055788 0.026075 -0.038210 31O 3pz 0.062557 -0.007371 -0.110830 -0.079352 0.016828 0.071351 31O 3px -0.080813 -0.076520 0.099399 -0.074893 0.167388 -0.056781 31O 3py -0.076380 0.102857 0.081375 0.149661 -0.092689 -0.223954 31O 1dz2 -0.000705 0.001151 -0.002004 -0.000080 -0.000353 0.000447 31O 1dxz 0.001936 -0.000302 -0.000647 0.000542 -0.001058 -0.000552 31O 1dyz 0.001380 -0.002220 -0.000893 0.001837 -0.000936 -0.000171 31O 1dx2y2 -0.000336 -0.002144 -0.000403 -0.001670 0.001635 -0.000892 31O 1dxy 0.000030 0.001942 0.001814 0.000041 0.000228 -0.001446 31O 2dz2 -0.006964 -0.000194 0.004638 -0.002786 -0.000260 -0.003450 31O 2dxz -0.011141 -0.004566 0.016253 -0.001728 0.005410 -0.011318 31O 2dyz -0.007023 -0.005469 0.009131 -0.004535 0.003986 -0.005049 31O 2dx2y2 0.006778 0.002913 -0.010402 0.006371 -0.008789 0.002171 31O 2dxy 0.012677 0.007990 -0.011976 0.009670 -0.008717 0.009566 31O 1f0 0.000068 -0.000410 0.000468 0.000214 0.000109 -0.001000 31O 1f+1 0.000209 0.000025 0.000198 0.000128 -0.000002 -0.000340 31O 1f-1 0.000369 -0.000199 0.000050 0.000658 -0.000232 -0.000109 31O 1f+2 0.000636 0.000029 -0.000980 0.000580 -0.000725 0.000364 31O 1f-2 0.000794 0.000443 -0.000541 0.000292 -0.000564 0.000227 31O 1f+3 -0.000184 0.000132 0.000090 -0.000228 -0.000046 -0.000028 31O 1f-3 0.000998 0.000460 -0.000818 0.000803 -0.000899 -0.000070 32O 1s 0.002106 -0.009494 -0.000975 0.002134 0.001562 -0.003070 32O 2s 0.005189 -0.023138 -0.002501 0.005628 0.003801 -0.007528 32O 3s -0.009411 0.036177 0.006695 -0.016882 -0.006634 0.012834 32O 4s -0.008614 0.074146 -0.003007 0.015219 -0.004398 0.017498 32O 5s -0.079597 0.204131 0.044093 -0.142709 -0.058565 0.085249 32O 1pz 0.012086 -0.044573 -0.025322 -0.038972 -0.001433 -0.005181 32O 1px 0.021043 0.087331 -0.039631 0.062657 0.024365 0.012085 32O 1py 0.009744 0.010399 -0.002152 -0.010162 0.030349 -0.008841 32O 2pz 0.017371 -0.039636 -0.036935 -0.041292 -0.004311 0.003168 32O 2px 0.026324 0.063529 -0.043599 0.057359 0.033459 0.006533 32O 2py 0.015231 0.017331 -0.008089 0.000435 0.036699 -0.011682 32O 3pz 0.086591 -0.135195 -0.152932 -0.138138 0.024128 0.049836 32O 3px 0.042566 0.196965 -0.084984 0.046950 -0.013879 0.079424 32O 3py -0.046395 0.041544 0.032124 -0.040138 -0.014169 0.019780 32O 1dz2 -0.000716 0.001650 0.001743 0.001669 -0.000087 -0.001124 32O 1dxz 0.001097 0.000297 -0.002454 -0.000782 0.000645 0.001702 32O 1dyz -0.001385 0.000971 0.002691 0.001537 -0.000031 -0.001661 32O 1dx2y2 0.000117 -0.002340 -0.000506 -0.000652 -0.000198 0.000164 32O 1dxy -0.000917 0.000799 0.001249 0.000849 -0.001112 -0.000359 32O 2dz2 0.000459 0.007559 0.001393 0.007304 0.000315 -0.000611 32O 2dxz 0.001350 0.004308 -0.007204 0.001271 0.003487 0.002222 32O 2dyz 0.002604 -0.000222 -0.001920 -0.000366 0.001321 0.001036 32O 2dx2y2 0.001384 -0.006229 -0.001950 0.001082 -0.001171 -0.000441 32O 2dxy -0.002534 -0.002168 0.004095 -0.008785 -0.004290 0.002118 32O 1f0 0.000071 0.000198 -0.000458 -0.000054 -0.000102 0.000269 32O 1f+1 0.000268 0.000043 -0.000145 0.000015 0.000123 -0.000030 32O 1f-1 0.000276 0.001175 -0.000587 0.000780 0.000207 0.000270 32O 1f+2 0.000131 -0.000451 -0.000206 -0.000246 0.000096 -0.000005 32O 1f-2 -0.000245 0.001110 -0.000009 0.000946 0.000298 -0.000115 32O 1f+3 -0.000116 -0.000564 0.000264 -0.000378 -0.000427 0.000009 32O 1f-3 0.000290 0.000422 -0.000300 0.000046 0.000059 0.000176 33O 1s -0.004445 0.004637 0.010682 0.009814 0.000819 0.010434 33O 2s -0.011335 0.011399 0.026544 0.025194 0.002333 0.024791 33O 3s 0.025979 -0.021292 -0.047543 -0.056435 -0.011669 -0.030391 33O 4s -0.009509 -0.024332 -0.040202 0.027540 0.043337 -0.137775 33O 5s 0.281710 -0.023573 -0.837552 -1.304983 -0.072875 0.032376 33O 1pz 0.015601 0.037489 -0.028196 -0.025099 -0.019901 0.007434 33O 1px -0.010711 0.010179 -0.035762 -0.003064 0.015948 0.001025 33O 1py -0.006667 -0.000803 0.009414 -0.021115 0.034517 0.014963 33O 2pz 0.015176 0.054268 -0.069308 -0.052601 0.019187 -0.010286 33O 2px -0.006821 -0.000773 0.008213 0.043297 0.000578 0.001341 33O 2py -0.016683 0.002236 -0.000764 -0.018856 0.049627 0.003244 33O 3pz 0.102269 -0.030909 -0.077808 -0.306486 -0.174863 0.135551 33O 3px -0.077880 -0.085318 0.210059 0.298066 -0.062981 0.076244 33O 3py 0.022315 -0.074866 0.077459 -0.060995 -0.016262 0.107820 33O 1dz2 -0.000037 0.002401 -0.001681 0.000793 0.000777 -0.000621 33O 1dxz 0.001766 -0.001362 -0.002091 -0.001667 -0.000821 -0.000954 33O 1dyz 0.000754 0.001098 0.001952 -0.000102 0.000023 0.000558 33O 1dx2y2 0.000210 -0.000731 0.001336 0.000946 -0.001825 0.001400 33O 1dxy -0.000668 -0.001817 -0.000741 0.000285 -0.000053 0.000310 33O 2dz2 0.000080 0.002068 -0.002588 -0.003058 -0.003706 0.002688 33O 2dxz -0.000751 -0.011935 0.018440 0.027755 -0.009203 0.002469 33O 2dyz 0.003589 0.002233 -0.002064 -0.005800 -0.003896 0.002385 33O 2dx2y2 -0.001506 0.005128 -0.010418 -0.020852 0.002972 -0.001462 33O 2dxy 0.002596 -0.002382 -0.004931 0.000054 -0.001148 -0.000221 33O 1f0 0.000365 -0.000200 0.000406 0.000817 -0.000669 0.000490 33O 1f+1 -0.000210 -0.000464 0.000578 0.000534 0.000042 -0.000046 33O 1f-1 0.000432 0.000302 0.000458 0.000108 -0.000117 0.000491 33O 1f+2 -0.000117 0.000613 -0.001425 -0.001565 0.000411 -0.000468 33O 1f-2 -0.000379 -0.000127 -0.000178 0.000432 0.000489 -0.000144 33O 1f+3 0.000149 0.000583 -0.000256 -0.001084 -0.000186 -0.000126 33O 1f-3 -0.000128 -0.000069 -0.000184 0.000091 0.000329 -0.000024 34O 1s 0.010447 -0.014056 -0.012791 -0.001056 0.004790 0.001648 34O 2s 0.026623 -0.034410 -0.032348 -0.002407 0.011457 0.003986 34O 3s -0.057855 0.059349 0.066066 0.002354 -0.017980 -0.003466 34O 4s 0.009854 0.083453 0.002347 0.013229 -0.037831 -0.028577 34O 5s -0.947896 0.368392 1.270374 -0.177238 0.153195 -0.243009 34O 1pz -0.024053 -0.001762 0.025247 0.022667 0.029969 -0.019958 34O 1px -0.002987 -0.005508 -0.014387 -0.009985 -0.009907 0.016403 34O 1py -0.005459 0.041577 -0.025838 0.025842 -0.014449 0.015421 34O 2pz -0.018999 0.006906 0.010352 0.039880 0.011909 0.002996 34O 2px -0.045009 -0.006683 0.054699 -0.008733 0.003578 -0.013133 34O 2py -0.008905 0.028903 -0.038216 -0.004111 0.018922 0.046126 34O 3pz 0.012858 -0.011431 -0.008544 -0.040767 0.156168 -0.083058 34O 3px -0.298737 0.013387 0.363485 -0.182474 0.210198 -0.125726 34O 3py 0.107685 0.070446 -0.020070 0.230689 -0.328422 -0.098940 34O 1dz2 -0.000851 0.001801 0.002569 0.001017 0.000403 -0.001526 34O 1dxz -0.001817 -0.001229 0.000443 0.000601 -0.000032 -0.000313 34O 1dyz 0.000110 0.000392 0.000545 -0.000222 -0.000972 0.000229 34O 1dx2y2 0.001576 -0.000813 -0.001824 0.000878 -0.000490 0.000491 34O 1dxy -0.001892 0.002551 0.000501 0.000534 0.001153 0.001505 34O 2dz2 0.014378 0.002847 -0.017986 0.007421 -0.011256 0.000320 34O 2dxz 0.003032 -0.000366 -0.006713 0.006580 -0.002982 0.005978 34O 2dyz 0.000200 -0.001231 -0.002140 0.000501 0.004528 -0.001233 34O 2dx2y2 -0.020059 -0.005940 0.029062 -0.013727 0.013633 -0.018442 34O 2dxy 0.004255 0.003518 -0.008716 0.006690 -0.002695 0.006281 34O 1f0 -0.000036 0.000374 0.000689 -0.000101 -0.000339 -0.000299 34O 1f+1 0.001164 0.000347 -0.000997 0.000531 -0.000446 -0.000100 34O 1f-1 0.000017 0.000113 -0.000043 -0.000316 -0.000049 0.000113 34O 1f+2 0.000256 0.000547 -0.000461 0.000741 -0.000546 0.000720 34O 1f-2 0.000006 0.000374 0.000366 0.000407 -0.000487 -0.000087 34O 1f+3 0.001035 -0.000317 -0.001842 0.000126 0.000155 0.000818 34O 1f-3 -0.000160 -0.000028 0.000564 0.000032 -0.000049 -0.000585 35O 1s -0.002698 -0.014577 -0.004362 -0.012678 -0.002429 0.005883 35O 2s -0.006885 -0.035752 -0.011308 -0.032073 -0.006124 0.014401 35O 3s 0.015960 0.062732 0.027352 0.067018 0.012508 -0.026979 35O 4s -0.007480 0.081220 -0.012740 0.008897 -0.009488 -0.019321 35O 5s 0.163739 0.366467 0.412149 0.856349 0.337886 -0.037129 35O 1pz -0.018822 -0.030382 0.020481 0.031148 -0.015603 0.017184 35O 1px 0.004100 0.004304 -0.010445 -0.034447 -0.020477 -0.021790 35O 1py 0.050448 -0.025915 -0.015905 -0.004526 0.001347 0.010981 35O 2pz -0.028887 -0.022948 0.005560 0.041617 0.017968 -0.005660 35O 2px -0.004608 -0.002611 0.012875 0.027809 0.002690 -0.008290 35O 2py 0.056844 -0.017621 -0.014482 0.011493 0.001928 0.007491 35O 3pz 0.020665 -0.044344 0.101373 -0.060215 -0.172880 0.225920 35O 3px 0.096672 0.019162 0.076258 0.049726 -0.001829 0.068829 35O 3py 0.026131 -0.053026 0.031354 0.041792 0.055035 0.160218 35O 1dz2 0.000318 0.000826 0.001174 0.000491 -0.001149 0.000433 35O 1dxz -0.000975 -0.002090 0.000007 -0.000424 0.000080 -0.001170 35O 1dyz 0.000463 -0.001748 -0.001024 -0.000653 0.000098 0.000434 35O 1dx2y2 -0.002237 -0.000094 0.000214 -0.001304 -0.000344 -0.000467 35O 1dxy 0.001108 -0.001934 0.000168 -0.001847 -0.001228 -0.000511 35O 2dz2 0.004618 0.006168 -0.008389 -0.010404 -0.005136 -0.004992 35O 2dxz -0.002418 -0.002853 0.000098 -0.001711 0.000679 0.001736 35O 2dyz -0.000149 -0.000013 -0.000261 -0.000672 0.003192 -0.004700 35O 2dx2y2 -0.001341 -0.002621 0.011076 0.013191 0.001612 0.008520 35O 2dxy 0.004628 -0.003405 0.005863 0.007588 -0.002509 0.007105 35O 1f0 -0.000236 0.000031 0.000452 -0.000086 -0.000370 0.000079 35O 1f+1 0.000330 0.000122 -0.000337 -0.000938 -0.000658 0.000166 35O 1f-1 0.000134 -0.000584 0.000105 -0.000309 -0.000570 0.000572 35O 1f+2 -0.000301 0.000321 0.000025 0.000450 0.000312 -0.000461 35O 1f-2 0.000205 -0.000446 -0.000295 -0.000495 0.000156 0.000258 35O 1f+3 0.000452 -0.000035 -0.000428 -0.000597 -0.000423 -0.000034 35O 1f-3 -0.000465 0.000221 -0.000409 -0.000323 0.000240 -0.000091 156 157 158 159 160 161 0.22757 0.23121 0.23634 0.24808 0.25540 0.25607 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s 0.000290 0.001773 0.000274 -0.008010 -0.000260 -0.004761 0Rh 2s -0.001091 -0.006173 -0.001112 0.027657 0.001442 0.018879 0Rh 3s 0.001009 0.006489 0.000906 -0.029459 -0.000619 -0.015999 0Rh 4s 0.004793 0.026881 0.004939 -0.120376 -0.006595 -0.083520 0Rh 5s -0.003810 -0.017190 -0.004782 0.074301 0.009481 0.074554 0Rh 6s -0.008648 -0.064839 -0.005353 0.303159 -0.004787 0.121828 0Rh 7s 0.042542 -0.051855 -0.066038 -1.553874 0.624083 -0.501292 0Rh 8s -0.167538 0.539599 0.166508 1.930772 -1.271209 1.915238 0Rh 1pz 0.000284 0.003151 -0.001919 -0.006412 0.000655 0.003449 0Rh 1px -0.000306 0.000149 0.004782 0.021097 -0.005929 0.012220 0Rh 1py 0.000603 0.000368 -0.004565 0.003571 -0.005190 0.000205 0Rh 2pz -0.000978 -0.010753 0.006586 0.022250 -0.002265 -0.011811 0Rh 2px 0.001027 -0.000518 -0.016461 -0.073096 0.020633 -0.042083 0Rh 2py -0.002012 -0.001241 0.015668 -0.012389 0.017872 -0.000695 0Rh 3pz 0.000966 0.008386 -0.005835 -0.024133 0.002278 0.009747 0Rh 3px -0.000425 0.000630 0.015475 0.077184 -0.023483 0.039619 0Rh 3py 0.000621 0.000650 -0.013911 0.013336 -0.016811 0.000505 0Rh 4pz 0.000794 0.017781 -0.008298 -0.012686 0.002320 0.018104 0Rh 4px -0.003461 -0.000510 0.017976 0.049015 -0.007183 0.045701 0Rh 4py 0.007433 0.003538 -0.018911 0.007562 -0.018792 0.001308 0Rh 5pz 0.000748 -0.000020 -0.003125 -0.032351 -0.001669 0.003898 0Rh 5px 0.005124 0.006659 0.009921 0.096786 -0.041809 0.031361 0Rh 5py -0.007051 -0.003985 -0.020027 0.016220 -0.021924 -0.001513 0Rh 6pz 0.015760 -0.141387 0.139588 0.258824 -0.004174 -0.338868 0Rh 6px -0.002040 -0.079793 -0.154473 -0.853763 0.206392 -0.949149 0Rh 6py -0.145445 0.127530 0.476001 -0.106481 0.355151 -0.021403 0Rh 1dz2 0.000234 0.000606 0.000335 0.006092 -0.005417 0.001510 0Rh 1dxz 0.000368 -0.010751 0.001827 0.005548 0.001719 0.000759 0Rh 1dyz -0.005715 -0.003206 -0.003415 -0.000575 -0.009196 -0.004779 0Rh 1dx2y2 -0.000424 0.001247 0.001748 -0.015004 -0.009395 -0.005819 0Rh 1dxy -0.002413 0.000042 0.015376 -0.003895 0.004504 -0.000499 0Rh 2dz2 -0.000667 -0.000159 0.000121 -0.000376 0.000446 0.000124 0Rh 2dxz -0.000308 0.000476 0.000173 -0.000197 -0.000149 -0.000255 0Rh 2dyz -0.000446 -0.000196 0.000649 0.000080 0.000567 0.000006 0Rh 2dx2y2 -0.000499 -0.000157 -0.000245 0.000870 0.000497 0.000426 0Rh 2dxy -0.000221 0.000050 -0.000360 0.000131 -0.000206 0.000418 0Rh 3dz2 0.002266 -0.000463 -0.001116 -0.009219 0.007809 -0.003100 0Rh 3dxz 0.000576 0.017133 -0.003980 -0.008957 -0.002446 -0.000219 0Rh 3dyz 0.011929 0.006453 0.003463 0.000693 0.013907 0.008451 0Rh 3dx2y2 0.002757 -0.001517 -0.002050 0.022950 0.014666 0.008444 0Rh 3dxy 0.005173 -0.000243 -0.025876 0.006307 -0.007323 -0.000884 0Rh 4dz2 -0.008542 -0.002889 0.001310 -0.012967 0.013677 -0.001329 0Rh 4dxz -0.004012 0.020307 -0.000471 -0.010088 -0.003798 -0.005112 0Rh 4dyz 0.001985 0.001967 0.012735 0.002089 0.021783 0.006805 0Rh 4dx2y2 -0.005476 -0.003386 -0.005662 0.031584 0.019151 0.014843 0Rh 4dxy 0.000221 0.000292 -0.025042 0.007288 -0.007505 0.006320 0Rh 5dz2 0.031559 0.013906 -0.018795 0.004683 -0.015849 0.003464 0Rh 5dxz 0.009519 0.018284 -0.012251 -0.000730 -0.010736 0.021920 0Rh 5dyz 0.044850 0.034343 -0.041523 -0.002519 -0.023613 0.017715 0Rh 5dx2y2 0.026780 -0.001228 0.005768 -0.006766 0.014074 -0.026283 0Rh 5dxy 0.024096 0.003717 -0.049544 -0.001337 -0.015006 -0.023360 0Rh 1f0 -0.000681 -0.000560 -0.001478 0.003061 -0.000059 0.002032 0Rh 1f+1 0.000533 -0.000199 0.000300 -0.002664 0.000869 0.002699 0Rh 1f-1 -0.000666 0.001649 -0.003800 0.000039 0.000377 0.001020 0Rh 1f+2 -0.001286 0.000362 -0.001688 -0.004554 -0.000291 -0.004088 0Rh 1f-2 0.000207 -0.001976 0.001849 -0.002717 -0.004536 -0.002763 0Rh 1f+3 0.000286 0.001571 -0.000245 -0.004606 0.000798 0.001765 0Rh 1f-3 0.000022 0.001641 -0.001802 -0.002597 0.001873 -0.002508 1Rh 1s -0.000337 0.001704 0.000252 -0.007976 0.001337 0.004714 1Rh 2s 0.001253 -0.005903 -0.001028 0.027515 -0.004908 -0.018767 1Rh 3s -0.001184 0.006251 0.000830 -0.029347 0.004738 0.015795 1Rh 4s -0.005498 0.025688 0.004569 -0.119744 0.021502 0.083072 1Rh 5s 0.004236 -0.016175 -0.004481 0.073703 -0.015744 -0.074877 1Rh 6s 0.010445 -0.062930 -0.004708 0.302361 -0.045183 -0.118165 1Rh 7s -0.039143 -0.058462 -0.067237 -1.551030 0.750111 0.273062 1Rh 8s 0.146336 0.569246 0.169538 1.917654 -1.798615 -1.378047 1Rh 1pz 0.000473 -0.003122 0.001875 0.006451 0.000536 0.003398 1Rh 1px -0.000430 -0.000280 -0.004854 -0.021001 0.009681 0.009632 1Rh 1py 0.000758 -0.000228 0.004607 -0.003553 0.005102 -0.001473 1Rh 2pz -0.001622 0.010651 -0.006436 -0.022384 -0.001814 -0.011641 1Rh 2px 0.001453 0.000965 0.016711 0.072765 -0.033545 -0.033101 1Rh 2py -0.002544 0.000764 -0.015812 0.012325 -0.017566 0.005080 1Rh 3pz 0.001460 -0.008258 0.005693 0.024252 0.001082 0.009724 1Rh 3px -0.000783 -0.001005 -0.015697 -0.076889 0.035443 0.029865 1Rh 3py 0.001036 -0.000267 0.014045 -0.013267 0.016489 -0.004924 1Rh 4pz 0.001894 -0.017810 0.008133 0.012852 0.003989 0.017526 1Rh 4px -0.004110 -0.000178 -0.018289 -0.048588 0.021892 0.040846 1Rh 4py 0.008312 -0.002759 0.019060 -0.007528 0.018608 -0.004786 1Rh 5pz 0.000585 0.000278 0.002965 0.032439 0.002540 0.003088 1Rh 5px 0.005391 -0.006435 -0.010056 -0.096642 0.050537 0.015880 1Rh 5py -0.006977 0.004019 0.020122 -0.016080 0.020872 -0.008488 1Rh 6pz 0.009368 0.145166 -0.133320 -0.261811 -0.105588 -0.320474 1Rh 6px -0.002567 0.086692 0.159977 0.845740 -0.518382 -0.825337 1Rh 6py -0.147848 -0.141908 -0.473964 0.102976 -0.357059 0.088589 1Rh 1dz2 -0.000173 0.000586 0.000402 0.006092 -0.005822 0.000117 1Rh 1dxz 0.000175 -0.010775 0.001854 0.005482 0.001354 -0.001622 1Rh 1dyz 0.005644 -0.002728 -0.003632 -0.000495 -0.007005 0.007461 1Rh 1dx2y2 0.000536 0.001296 0.001703 -0.014902 -0.006693 0.008690 1Rh 1dxy 0.002935 0.000192 0.015374 -0.003924 0.004502 -0.000691 1Rh 2dz2 0.000685 -0.000089 0.000090 -0.000376 0.000367 -0.000246 1Rh 2dxz 0.000288 0.000511 0.000157 -0.000189 -0.000059 0.000313 1Rh 2dyz 0.000505 -0.000152 0.000632 0.000083 0.000529 -0.000199 1Rh 2dx2y2 0.000494 -0.000110 -0.000274 0.000867 0.000326 -0.000576 1Rh 2dxy 0.000211 0.000082 -0.000368 0.000129 -0.000337 -0.000334 1Rh 3dz2 -0.002445 -0.000709 -0.001110 -0.009219 0.008822 0.000711 1Rh 3dxz -0.001459 0.017036 -0.003966 -0.008869 -0.002195 0.001523 1Rh 3dyz -0.012039 0.005423 0.003915 0.000540 0.010180 -0.012391 1Rh 3dx2y2 -0.002939 -0.001794 -0.001857 0.022780 0.010613 -0.012935 1Rh 3dxy -0.006062 -0.000641 -0.025839 0.006367 -0.006752 0.002702 1Rh 4dz2 0.008700 -0.001992 0.000842 -0.012949 0.013459 -0.002712 1Rh 4dxz 0.003027 0.020732 -0.000695 -0.009893 -0.001922 0.006812 1Rh 4dyz -0.001131 0.001910 0.012815 0.002012 0.018112 -0.013571 1Rh 4dx2y2 0.005254 -0.002869 -0.005945 0.031382 0.012824 -0.020588 1Rh 4dxy -0.001012 0.000513 -0.025157 0.007290 -0.009345 -0.004023 1Rh 5dz2 -0.033863 0.010501 -0.017469 0.004454 -0.014454 0.002132 1Rh 5dxz -0.010420 0.017214 -0.011659 -0.000975 -0.016618 -0.017071 1Rh 5dyz -0.050056 0.029940 -0.039796 -0.002919 -0.028144 -0.008114 1Rh 5dx2y2 -0.026985 -0.004032 0.007233 -0.006619 0.020548 0.020388 1Rh 5dxy -0.026698 0.001244 -0.048844 -0.001038 -0.006662 0.026405 1Rh 1f0 -0.000635 0.000534 0.001484 -0.003046 0.000800 0.001963 1Rh 1f+1 0.000478 0.000247 -0.000341 0.002695 0.000115 0.002794 1Rh 1f-1 -0.000433 -0.001630 0.003834 -0.000014 0.000026 0.001074 1Rh 1f+2 -0.001193 -0.000446 0.001737 0.004502 -0.001148 -0.003997 1Rh 1f-2 -0.000052 0.002076 -0.001821 0.002698 0.003370 -0.004049 1Rh 1f+3 0.000345 -0.001566 0.000206 0.004624 -0.000239 0.001845 1Rh 1f-3 0.000208 -0.001598 0.001859 0.002584 -0.002553 -0.001782 2C 1s -0.001672 -0.003776 0.004602 -0.008778 -0.000000 -0.002437 2C 2s -0.003412 -0.008075 0.009566 -0.019313 0.000068 -0.005192 2C 3s -0.000211 0.002754 0.009907 0.009993 0.001967 -0.002216 2C 4s 0.067547 0.114795 -0.229237 0.290669 0.002374 0.101184 2C 5s -0.202509 -0.148918 0.490226 -2.160101 -1.181479 0.278198 2C 1pz -0.027213 0.000727 -0.043328 0.008691 0.060056 0.003094 2C 1px 0.018275 0.027952 -0.042782 0.011692 0.006005 0.055492 2C 1py 0.047480 0.060703 -0.020080 0.003810 0.015965 0.006048 2C 2pz -0.047585 -0.025259 -0.044006 0.023894 0.044304 0.013241 2C 2px 0.003526 0.022746 -0.033093 0.017797 -0.027183 0.017454 2C 2py 0.065655 0.082093 -0.044463 0.010376 -0.014044 0.022210 2C 3pz 0.808043 0.952811 -0.109604 -0.959182 -0.298271 0.208555 2C 3px -0.428655 -0.530616 0.968116 -0.581032 0.638282 -0.705231 2C 3py -1.102872 -1.053318 -0.271814 -0.606114 0.370300 -0.007900 2C 1dz2 -0.001770 -0.004091 0.001221 0.004486 0.000413 0.000168 2C 1dxz 0.004474 0.006944 0.003772 0.000765 -0.004822 -0.002928 2C 1dyz 0.004452 0.004059 -0.003415 0.008914 -0.006121 0.004686 2C 1dx2y2 0.008138 0.007166 -0.006741 0.000272 -0.001678 0.006338 2C 1dxy -0.010583 -0.007587 -0.005368 0.002652 -0.001864 0.000664 2C 2dz2 -0.031187 -0.043319 0.017036 -0.002254 -0.008280 -0.010674 2C 2dxz -0.016272 -0.011934 -0.049865 0.010514 -0.025509 0.047726 2C 2dyz -0.011157 -0.026835 0.046513 -0.011994 -0.017211 -0.038777 2C 2dx2y2 -0.045573 -0.027697 0.004657 -0.003424 0.029257 -0.023756 2C 2dxy 0.044752 0.049189 0.004176 -0.001664 -0.021555 0.000731 2C 1f0 -0.007804 -0.007751 0.000689 -0.000032 0.002221 -0.002449 2C 1f+1 0.002704 0.001778 0.003759 -0.000862 -0.002219 -0.002743 2C 1f-1 0.002745 0.002024 -0.001879 0.002052 -0.001145 0.002709 2C 1f+2 0.001511 0.001619 -0.002644 -0.000127 -0.000322 0.004353 2C 1f-2 -0.002246 0.000129 -0.006501 0.001924 -0.000015 0.003953 2C 1f+3 -0.005603 -0.005967 0.000335 -0.000713 -0.000132 -0.000882 2C 1f-3 -0.001183 -0.002725 0.006635 -0.001806 -0.000426 -0.006387 3C 1s 0.003932 0.001458 -0.005875 -0.006986 0.007838 -0.004407 3C 2s 0.008127 0.003329 -0.012618 -0.015481 0.017161 -0.009201 3C 3s 0.005801 -0.003799 0.001741 0.008828 -0.015566 -0.000124 3C 4s -0.191964 -0.046177 0.208932 0.231071 -0.192264 0.146843 3C 5s 0.436155 0.364117 -0.755556 -1.464905 2.176204 -0.012242 3C 1pz 0.005569 0.013973 0.030617 -0.014049 -0.036033 0.005305 3C 1px -0.037197 0.011822 0.054860 0.009905 0.016446 0.066041 3C 1py 0.008894 0.053573 -0.037127 0.019388 0.059140 -0.010829 3C 2pz -0.024709 0.009922 0.045398 -0.006496 -0.013505 0.000528 3C 2px -0.022416 0.033598 0.061905 0.028243 0.026879 0.074667 3C 2py 0.003795 0.070040 -0.009744 -0.010084 0.019662 0.021550 3C 3pz -0.473997 -0.730539 -0.129365 -0.208830 0.895371 -0.172230 3C 3px 0.817347 -0.424430 -1.253785 -0.883469 -1.160050 -0.838823 3C 3py -0.077864 -0.655309 -0.490159 0.900051 -0.715064 -0.614298 3C 1dz2 0.002109 0.006491 0.001718 -0.002540 -0.001068 0.001783 3C 1dxz 0.007544 -0.003510 -0.007747 -0.001154 -0.009605 -0.005116 3C 1dyz 0.006836 0.003735 0.000113 -0.009699 -0.003906 0.002537 3C 1dx2y2 -0.003702 -0.004282 0.001359 -0.002584 0.006135 -0.000382 3C 1dxy 0.000620 -0.005043 -0.007829 -0.005260 -0.002853 -0.006406 3C 2dz2 0.003056 -0.008067 -0.008262 -0.002554 -0.003920 -0.003185 3C 2dxz -0.036701 0.032581 0.037733 0.025066 0.075915 0.037922 3C 2dyz -0.051618 -0.037712 0.041868 0.010094 0.016555 0.033054 3C 2dx2y2 0.014290 0.031261 0.047488 -0.013879 -0.034801 0.041292 3C 2dxy 0.012624 0.007253 0.003264 -0.015256 -0.046705 0.004298 3C 1f0 0.001763 0.004905 0.003191 -0.001271 -0.001463 0.003628 3C 1f+1 0.005385 0.000891 -0.004374 -0.001948 -0.005210 -0.003097 3C 1f-1 -0.002104 -0.004469 0.000127 -0.000097 -0.001912 -0.000647 3C 1f+2 0.003306 0.000435 -0.003414 -0.001754 0.001105 -0.002385 3C 1f-2 -0.001793 -0.000016 0.000731 -0.000064 0.002854 0.000770 3C 1f+3 -0.000846 0.004941 0.003273 0.001990 0.005402 0.003086 3C 1f-3 -0.005801 -0.000454 0.007194 0.001585 0.004508 0.005871 4C 1s -0.000009 0.008073 -0.011238 0.011456 0.015920 0.000326 4C 2s 0.000096 0.019092 -0.025570 0.024433 0.035498 0.001041 4C 3s -0.014570 -0.044432 0.054372 0.021104 -0.033603 -0.027164 4C 4s 0.097976 -0.014809 0.089793 -0.586445 -0.424525 0.162180 4C 5s 0.055274 -1.246224 0.731964 0.950739 0.061210 -0.625482 4C 1pz -0.015051 -0.033321 0.026382 -0.052853 -0.006316 -0.006304 4C 1px -0.006139 0.007905 -0.019050 -0.009340 -0.036906 -0.045725 4C 1py 0.033246 0.023956 0.004859 -0.032704 0.007952 0.022220 4C 2pz 0.001113 -0.108310 0.061936 -0.107159 -0.086948 0.018923 4C 2px -0.102833 0.044310 -0.008632 -0.034450 -0.139821 -0.141566 4C 2py 0.062742 0.007426 -0.001440 -0.065470 -0.033966 0.065333 4C 3pz -0.167188 -0.597000 0.031207 -1.507120 -0.091928 0.263866 4C 3px 0.095361 0.640505 -0.519748 -0.110756 -0.808730 0.242000 4C 3py 0.286212 0.376586 0.191076 -1.050251 -0.659739 -0.047260 4C 1dz2 -0.003970 -0.002872 -0.002716 0.003067 -0.003326 -0.001229 4C 1dxz -0.001797 -0.007153 0.004152 0.002583 -0.000510 0.000434 4C 1dyz 0.002564 0.008008 -0.005172 0.004449 0.002912 0.002947 4C 1dx2y2 -0.002162 0.004965 -0.007180 -0.001918 0.007786 0.001329 4C 1dxy 0.001939 0.004728 -0.006025 0.000693 0.005245 0.003258 4C 2dz2 0.035991 0.023690 -0.006815 0.020638 0.017832 0.018807 4C 2dxz -0.040192 0.017048 0.030952 0.016266 0.000582 -0.030235 4C 2dyz 0.020480 0.021586 -0.029715 -0.007471 0.016934 0.028192 4C 2dx2y2 0.024900 0.013758 -0.015200 -0.043235 -0.018635 0.023577 4C 2dxy -0.047228 -0.017564 -0.010391 -0.030060 -0.005211 -0.003123 4C 1f0 0.001976 0.001710 -0.000405 0.003214 -0.000328 -0.000348 4C 1f+1 -0.004375 -0.003000 0.002237 0.005707 0.002273 -0.003643 4C 1f-1 -0.000210 -0.001543 0.000813 0.000004 -0.001794 0.000013 4C 1f+2 0.000966 -0.001270 -0.001750 -0.004612 0.000430 0.002345 4C 1f-2 -0.003221 -0.000869 0.003373 -0.001543 -0.001498 -0.003152 4C 1f+3 0.003653 0.001909 0.000566 -0.000626 0.000009 0.000960 4C 1f-3 0.000342 -0.000758 0.001156 0.005856 0.000842 0.000855 5C 1s -0.002703 -0.009624 0.016405 0.002706 -0.021552 0.000956 5C 2s -0.005666 -0.021062 0.037260 0.004717 -0.048794 0.003751 5C 3s 0.029081 0.021180 -0.064113 0.042570 0.038894 -0.055240 5C 4s -0.081788 0.252357 -0.218689 -0.388204 0.550493 0.354946 5C 5s -0.184117 -0.120189 -0.872423 1.234649 0.796677 -1.191828 5C 1pz 0.010922 0.020442 -0.002181 -0.033160 0.000431 0.024141 5C 1px 0.003047 0.021092 0.020852 -0.008828 0.022730 -0.013670 5C 1py -0.006505 -0.001593 0.051161 0.034358 -0.054133 -0.003168 5C 2pz -0.047987 0.039057 -0.046464 -0.037511 0.062874 0.016567 5C 2px 0.122862 -0.003535 0.059918 -0.030065 0.079337 0.073232 5C 2py 0.052610 -0.041470 0.152244 0.027368 -0.219746 0.017009 5C 3pz 0.076001 0.417828 -0.382836 -0.726877 0.794481 -0.106910 5C 3px -0.058814 0.108560 0.772369 -0.196664 1.428822 0.831259 5C 3py 0.113125 0.166224 0.539888 1.106493 -1.464680 0.161312 5C 1dz2 0.003664 0.004362 -0.005598 0.002581 0.008746 -0.004154 5C 1dxz 0.000545 0.003042 -0.005309 0.004996 0.005719 -0.001892 5C 1dyz 0.001148 0.000692 -0.011408 0.000971 0.012473 -0.007896 5C 1dx2y2 -0.001295 0.001056 0.007020 -0.006924 -0.008227 0.005694 5C 1dxy 0.001310 0.002283 0.000031 -0.003055 -0.001237 0.000084 5C 2dz2 0.010335 0.006325 -0.009001 0.029912 -0.013313 -0.015039 5C 2dxz 0.062002 -0.021150 -0.016005 0.003900 -0.061846 0.010439 5C 2dyz 0.067851 0.015742 -0.026945 0.016599 -0.011301 -0.021202 5C 2dx2y2 0.000503 -0.022895 -0.013160 -0.033770 0.054360 0.000414 5C 2dxy -0.055981 0.012284 -0.025110 0.012621 0.032357 -0.055828 5C 1f0 0.002575 -0.003185 -0.000519 0.001909 -0.002869 -0.001430 5C 1f+1 -0.000471 0.000854 -0.000205 0.004935 -0.000363 -0.002849 5C 1f-1 0.001705 -0.000735 -0.000368 -0.000910 -0.000098 0.000840 5C 1f+2 0.000019 -0.000499 0.001066 -0.001178 -0.002513 0.001300 5C 1f-2 -0.007144 0.000373 0.000496 -0.002475 0.003416 0.000361 5C 1f+3 0.004765 -0.001362 -0.004668 0.003182 -0.005232 -0.004689 5C 1f-3 -0.000808 -0.000067 -0.001697 -0.006411 0.001036 0.001448 6C 1s 0.003978 -0.009483 0.016220 0.002770 -0.020664 0.006123 6C 2s 0.008544 -0.020759 0.036879 0.004845 -0.047309 0.012410 6C 3s -0.034044 0.018764 -0.063859 0.042745 0.054485 0.038509 6C 4s 0.063211 0.261733 -0.212607 -0.391938 0.405525 -0.506908 6C 5s 0.112256 -0.122579 -0.897129 1.241967 1.138088 0.841015 6C 1pz 0.012302 -0.021087 0.001245 0.033332 0.006471 0.022962 6C 1px 0.003546 -0.021108 -0.020860 0.008829 -0.026230 -0.005974 6C 1py -0.008845 0.000249 -0.050992 -0.034694 0.049298 -0.020683 6C 2pz -0.044289 -0.047222 0.046393 0.037059 -0.058878 0.036752 6C 2px 0.119675 0.013878 -0.063328 0.031461 -0.045118 0.094796 6C 2py 0.043524 0.043850 -0.153618 -0.027578 0.213199 -0.055864 6C 3pz 0.117754 -0.418596 0.374120 0.726539 -0.794205 0.153927 6C 3px -0.084632 -0.123161 -0.767802 0.206624 -1.048713 1.252460 6C 3py 0.121980 -0.158200 -0.534665 -1.109745 1.447147 -0.337360 6C 1dz2 -0.004341 0.004208 -0.005493 0.002583 0.009671 0.000976 6C 1dxz -0.001035 0.003112 -0.005325 0.005007 0.006071 -0.000171 6C 1dyz -0.001751 0.000512 -0.011469 0.000985 0.014332 0.003211 6C 1dx2y2 0.001562 0.001281 0.007035 -0.006917 -0.009572 -0.002462 6C 1dxy -0.001484 0.002179 0.000071 -0.003074 -0.001213 0.000396 6C 2dz2 -0.011367 0.006135 -0.009048 0.029957 -0.007486 0.018643 6C 2dxz -0.060825 -0.027102 -0.013922 0.003686 -0.063099 0.009887 6C 2dyz -0.070603 0.010552 -0.025623 0.016446 -0.004726 0.023655 6C 2dx2y2 0.001119 -0.023867 -0.013280 -0.033766 0.050752 -0.018433 6C 2dxy 0.054521 0.016914 -0.027190 0.013452 0.050475 0.042068 6C 1f0 0.002361 0.003491 0.000451 -0.001911 0.002291 -0.002169 6C 1f+1 -0.000306 -0.000963 0.000264 -0.004957 -0.000610 -0.002775 6C 1f-1 0.001685 0.000886 0.000308 0.000935 0.000458 0.000751 6C 1f+2 -0.000043 0.000449 -0.001109 0.001181 0.002808 0.000441 6C 1f-2 -0.007216 -0.000912 -0.000333 0.002443 -0.003281 0.001409 6C 1f+3 0.004854 0.001833 0.004546 -0.003206 0.003413 -0.006031 6C 1f-3 -0.000787 0.000119 0.001662 0.006424 -0.000488 0.001603 7C 1s -0.001052 0.008233 -0.011131 0.011418 0.015009 -0.005484 7C 2s -0.002547 0.019424 -0.025330 0.024345 0.033333 -0.012482 7C 3s 0.019947 -0.044367 0.053456 0.021277 -0.021944 0.035535 7C 4s -0.090979 -0.021377 0.091301 -0.586006 -0.463935 -0.007075 7C 5s 0.056958 -1.247646 0.732020 0.960353 0.290710 0.522834 7C 1pz -0.019071 0.032833 -0.025499 0.052744 0.004341 -0.007841 7C 1px -0.005954 -0.007487 0.019467 0.008984 0.019408 -0.055061 7C 1py 0.034881 -0.021701 -0.006189 0.033067 0.000210 0.022666 7C 2pz -0.009520 0.109407 -0.061491 0.106805 0.088142 -0.008627 7C 2px -0.100740 -0.051053 0.012342 0.033416 0.087021 -0.180130 7C 2py 0.064374 -0.004112 -0.001783 0.066480 0.054731 0.049518 7C 3pz -0.201430 0.579611 -0.022275 1.507723 0.181983 0.221563 7C 3px 0.144060 -0.622008 0.515267 0.113794 0.851017 -0.050760 7C 3py 0.307242 -0.353444 -0.192284 1.051945 0.620842 -0.269025 7C 1dz2 0.004114 -0.002671 -0.002820 0.003065 -0.002737 0.002234 7C 1dxz 0.002411 -0.007085 0.004080 0.002583 -0.000546 -0.000464 7C 1dyz -0.003352 0.007923 -0.005086 0.004425 0.001680 -0.003612 7C 1dx2y2 0.001611 0.005142 -0.007189 -0.001934 0.006902 -0.003623 7C 1dxy -0.002499 0.004634 -0.005908 0.000665 0.003870 -0.004703 7C 2dz2 -0.037503 0.020567 -0.005501 0.020515 0.010319 -0.023264 7C 2dxz 0.039909 0.020110 0.029751 0.016245 0.009621 0.029246 7C 2dyz -0.023292 0.021275 -0.028593 -0.007699 0.006330 -0.031414 7C 2dx2y2 -0.027104 0.013490 -0.013695 -0.043351 -0.025471 -0.015910 7C 2dxy 0.047217 -0.012655 -0.011999 -0.029763 -0.004408 0.004449 7C 1f0 0.002070 -0.001476 0.000312 -0.003191 0.000100 -0.000422 7C 1f+1 -0.004583 0.002746 -0.002010 -0.005709 -0.003310 -0.002611 7C 1f-1 -0.000409 0.001620 -0.000751 -0.000010 0.001674 -0.000543 7C 1f+2 0.000946 0.001236 0.001743 0.004574 0.000446 0.002349 7C 1f-2 -0.003422 0.000642 -0.003295 0.001506 0.000400 -0.003522 7C 1f+3 0.003776 -0.001634 -0.000726 0.000669 0.000315 0.000787 7C 1f-3 0.000226 0.000878 -0.001174 -0.005841 -0.000567 0.001156 8C 1s -0.004261 0.001206 -0.005779 -0.006996 0.008836 0.001545 8C 2s -0.008849 0.002802 -0.012427 -0.015506 0.019195 0.002985 8C 3s -0.005658 -0.004137 0.002043 0.008779 -0.014700 0.004942 8C 4s 0.203779 -0.033828 0.202746 0.231881 -0.228943 -0.072770 8C 5s -0.458624 0.348725 -0.725362 -1.472119 2.066852 -0.712179 8C 1pz 0.006124 -0.014519 -0.030813 0.013787 0.036044 -0.007098 8C 1px -0.038640 -0.016150 -0.053840 -0.009441 0.006202 0.067376 8C 1py 0.015004 -0.054136 0.037083 -0.019414 -0.059217 0.008936 8C 2pz -0.025657 -0.013957 -0.044480 0.005753 0.012817 -0.003437 8C 2px -0.022106 -0.037280 -0.060551 -0.027590 -0.000231 0.078255 8C 2py 0.010712 -0.071416 0.009662 0.010118 -0.011009 0.025788 8C 3pz -0.535303 0.721205 0.151236 0.212697 -0.893898 0.142972 8C 3px 0.830537 0.516091 1.217529 0.880794 0.817944 -1.162958 8C 3py -0.101194 0.680704 0.497531 -0.902852 0.478679 -0.797552 8C 1dz2 -0.002737 0.006504 0.001676 -0.002599 -0.001664 -0.001070 8C 1dxz -0.007489 -0.004569 -0.007542 -0.001113 -0.007424 0.007935 8C 1dyz -0.007206 0.003246 0.000268 -0.009757 -0.004606 -0.000872 8C 1dx2y2 0.004170 -0.004089 0.001282 -0.002583 0.005861 -0.001827 8C 1dxy -0.000422 -0.005402 -0.007802 -0.005179 -0.000447 0.006871 8C 2dz2 -0.001979 -0.008078 -0.007315 -0.002296 -0.002087 0.003307 8C 2dxz 0.035441 0.038139 0.036717 0.024746 0.059329 -0.060550 8C 2dyz 0.057108 -0.034036 0.040891 0.009967 0.005292 -0.037758 8C 2dx2y2 -0.015306 0.031210 0.048017 -0.014163 -0.046495 -0.026148 8C 2dxy -0.013898 0.006850 0.003788 -0.015333 -0.045935 0.011836 8C 1f0 0.002152 -0.004945 -0.003235 0.001323 0.002653 0.002727 8C 1f+1 0.005677 -0.000324 0.004303 0.001928 0.003849 -0.004733 8C 1f-1 -0.002565 0.004508 -0.000067 0.000073 0.001525 -0.001159 8C 1f+2 0.003495 -0.000091 0.003346 0.001774 -0.001788 -0.001893 8C 1f-2 -0.001727 -0.000253 -0.000625 0.000096 -0.002465 0.001656 8C 1f+3 -0.000420 -0.005251 -0.003138 -0.001933 -0.004065 0.004503 8C 1f-3 -0.006207 -0.000178 -0.007085 -0.001567 -0.002438 0.007093 9C 1s 0.002123 -0.003765 0.004522 -0.008770 0.000807 0.002277 9C 2s 0.004375 -0.008070 0.009415 -0.019296 0.001805 0.004834 9C 3s 0.000311 0.002972 0.009592 0.010060 0.002038 0.001541 9C 4s -0.084712 0.113181 -0.224336 0.290169 -0.027874 -0.096915 9C 5s 0.225265 -0.141216 0.470466 -2.165158 -1.237842 0.142099 9C 1pz -0.025440 -0.003004 0.043829 -0.008614 -0.055318 0.022238 9C 1px 0.020521 -0.025921 0.041420 -0.011100 0.012144 0.054270 9C 1py 0.053071 -0.058131 0.018548 -0.003703 -0.012852 0.010532 9C 2pz -0.046572 0.021074 0.045666 -0.023397 -0.037053 0.028219 9C 2px 0.003420 -0.020242 0.031715 -0.017448 0.030278 0.007510 9C 2py 0.074345 -0.077820 0.040892 -0.010318 0.020117 0.014985 9C 3pz 0.877424 -0.890703 0.083686 0.959538 0.359304 0.080486 9C 3px -0.467807 0.474387 -0.947362 0.571323 -0.816289 -0.464417 9C 3py -1.169130 0.973868 0.306665 0.612543 -0.354798 0.123385 9C 1dz2 0.002085 -0.003966 0.001110 0.004470 0.000352 -0.000388 9C 1dxz -0.004662 0.006514 0.003991 0.000728 -0.003620 0.004627 9C 1dyz -0.005037 0.003867 -0.003122 0.008870 -0.007260 -0.002445 9C 1dx2y2 -0.009140 0.006795 -0.006228 0.000118 -0.003595 -0.005378 9C 1dxy 0.010683 -0.006635 -0.005882 0.002716 -0.002111 -0.000305 9C 2dz2 0.034647 -0.041408 0.016281 -0.002141 -0.003765 0.012458 9C 2dxz 0.015154 -0.010476 -0.050217 0.010097 -0.039196 -0.037998 9C 2dyz 0.015417 -0.027154 0.045148 -0.011471 -0.003350 0.041561 9C 2dx2y2 0.049417 -0.025761 0.002480 -0.003003 0.035769 0.012681 9C 2dxy -0.046371 0.044872 0.005756 -0.001974 -0.019941 0.007403 9C 1f0 -0.008427 0.007259 -0.000380 -0.000026 -0.002899 -0.001485 9C 1f+1 0.002488 -0.001440 -0.003881 0.000874 0.001099 -0.003451 9C 1f-1 0.002990 -0.001813 0.001644 -0.001979 0.001888 0.002137 9C 1f+2 0.001718 -0.001487 0.002333 0.000247 0.001683 0.003855 9C 1f-2 -0.001935 -0.000353 0.006534 -0.001881 0.001307 0.003819 9C 1f+3 -0.005988 0.005532 0.000061 0.000635 -0.000142 -0.000583 9C 1f-3 -0.001830 0.002892 -0.006606 0.001779 -0.001682 -0.006267 10H 1s 0.012029 0.002640 -0.013427 -0.007403 0.013178 0.015846 10H 2s 0.200529 0.145844 -0.257050 0.041491 0.001544 0.311095 10H 3s 0.291134 0.351431 -0.552759 0.050377 -0.079581 0.034282 10H 1pz 0.017850 0.018125 -0.009532 -0.000258 -0.005647 0.016457 10H 1px -0.005882 -0.001494 0.008869 -0.005727 0.004033 -0.017602 10H 1py -0.010365 -0.008224 -0.011095 -0.000186 0.001301 0.007028 11H 1s 0.017791 0.019869 0.012621 -0.018713 0.004103 -0.008240 11H 2s 0.241236 0.202530 0.281398 -0.119924 -0.007538 -0.207250 11H 3s 0.356475 0.488474 -0.021228 -0.201899 0.441654 0.074509 11H 1pz 0.016212 0.012503 0.013313 -0.004043 -0.004590 -0.009442 11H 1px -0.002907 -0.005098 0.022207 -0.005256 -0.000456 -0.020039 11H 1py -0.011352 -0.008884 -0.004400 -0.002974 0.008554 0.000822 12H 1s -0.030698 -0.020295 -0.001773 -0.015921 0.006756 -0.011642 12H 2s -0.445086 -0.405425 0.041652 -0.082806 0.128387 -0.181260 12H 3s -0.509121 -0.433652 -0.084931 -0.161457 0.586237 -0.096236 12H 1pz 0.002304 0.000112 -0.000646 -0.004041 0.008861 0.000545 12H 1px -0.011089 -0.011497 0.015437 -0.004909 0.004695 -0.015046 12H 1py -0.025673 -0.025527 0.000197 -0.001266 0.003219 -0.007158 13H 1s -0.020969 -0.004006 0.005388 -0.004551 0.024137 -0.002958 13H 2s -0.336621 -0.031254 0.205999 0.098549 0.397196 0.122960 13H 3s -0.434702 -0.055495 0.565762 0.072801 0.492691 0.134799 13H 1pz -0.016611 -0.010634 0.002112 0.006097 0.018336 0.002634 13H 1px 0.011225 -0.005327 -0.006489 -0.009214 -0.016512 -0.006715 13H 1py 0.009350 -0.006553 -0.016225 -0.000886 -0.015312 -0.015795 14H 1s 0.010795 -0.016271 -0.014917 -0.018393 -0.007772 -0.012555 14H 2s 0.159150 -0.257532 -0.323716 -0.133451 -0.225542 -0.296212 14H 3s 0.089507 -0.429474 -0.329841 -0.349933 -0.512900 -0.150507 14H 1pz -0.004597 -0.014943 -0.008399 0.001486 0.004924 -0.011350 14H 1px 0.017171 -0.009324 -0.022631 -0.006491 -0.017838 -0.019528 14H 1py -0.003383 0.000586 0.002514 0.007429 0.007331 0.001394 15H 1s 0.015705 0.018140 0.009306 -0.021359 -0.006084 0.014450 15H 2s 0.229818 0.291792 0.028071 -0.122275 -0.098233 0.085951 15H 3s 0.093947 0.210025 0.437700 -0.417949 -0.529900 0.436017 15H 1pz -0.010662 -0.010600 0.003526 -0.001652 0.003022 0.000128 15H 1px 0.014595 -0.000289 -0.014043 -0.007206 -0.015386 -0.009133 15H 1py -0.010374 -0.018213 -0.000169 0.001717 -0.002896 -0.000536 16H 1s 0.000589 -0.012173 0.005187 0.000733 0.004163 -0.019437 16H 2s -0.021232 -0.104714 0.076420 -0.050226 -0.116206 -0.106498 16H 3s 0.070773 -0.100501 -0.076023 0.035214 0.365441 -0.148766 16H 1pz -0.002801 -0.004380 0.006964 -0.007439 -0.016605 -0.001834 16H 1px 0.001770 -0.000553 -0.001646 0.001587 0.009172 -0.004237 16H 1py -0.001570 -0.001342 0.002166 -0.002538 -0.004333 -0.001620 17H 1s -0.002872 0.003547 0.005920 0.002995 0.007989 0.014348 17H 2s -0.004084 0.061451 -0.015908 0.016991 0.125312 0.144966 17H 3s -0.028877 -0.146748 0.136708 -0.039453 -0.021845 -0.106826 17H 1pz -0.000339 -0.004352 0.001179 0.001254 -0.007096 -0.008457 17H 1px -0.001752 -0.005180 0.007267 -0.000332 -0.010171 -0.004986 17H 1py 0.000217 0.002999 -0.000596 -0.001219 0.003814 0.004085 18H 1s 0.002669 0.004059 0.005774 0.002930 0.002353 -0.015917 18H 2s -0.000136 0.062468 -0.014641 0.015121 0.064866 -0.173591 18H 3s 0.039334 -0.142141 0.133024 -0.037875 0.010646 0.102785 18H 1pz -0.000628 0.004503 -0.001268 -0.001382 0.003888 -0.010289 18H 1px -0.002190 0.004876 -0.007040 0.000159 0.007745 -0.007750 18H 1py 0.000247 -0.002730 0.000380 0.001315 -0.001760 0.004563 19H 1s 0.000375 -0.012401 0.005572 0.000889 0.010642 0.016424 19H 2s 0.031455 -0.103983 0.078704 -0.049488 -0.071698 0.135440 19H 3s -0.069142 -0.108538 -0.072413 0.035960 0.387481 0.016051 19H 1pz -0.003293 0.004047 -0.006840 0.007307 0.014592 -0.006969 19H 1px 0.001874 0.000660 0.001608 -0.001699 -0.010222 -0.000763 19H 1py -0.001821 0.001386 -0.002402 0.002726 0.003870 -0.003208 20H 1s -0.016890 0.017781 0.009962 -0.021482 -0.010401 -0.011053 20H 2s -0.256672 0.284090 0.035223 -0.123421 -0.121864 -0.040385 20H 3s -0.093148 0.215185 0.441659 -0.419570 -0.639720 -0.223474 20H 1pz -0.011808 0.010153 -0.003110 0.001663 -0.002805 0.001239 20H 1px 0.015374 0.001637 0.013638 0.007194 0.011689 -0.013743 20H 1py -0.012109 0.017970 0.000428 -0.001754 0.002454 -0.001068 21H 1s -0.009930 -0.018160 -0.014695 -0.018437 -0.003617 0.014129 21H 2s -0.150102 -0.285842 -0.319844 -0.132188 -0.118136 0.348001 21H 3s -0.068194 -0.457240 -0.323653 -0.349223 -0.438081 0.305344 21H 1pz -0.005495 0.015244 0.008745 -0.001542 -0.008297 -0.008828 21H 1px 0.017375 0.011349 0.022113 0.006452 0.010615 -0.024051 21H 1py -0.003369 -0.000804 -0.002291 -0.007364 -0.006274 0.003697 22H 1s 0.021580 -0.002119 0.004608 -0.004464 0.024060 -0.005245 22H 2s 0.348339 0.000440 0.194176 0.098045 0.336871 -0.248335 22H 3s 0.458331 -0.018925 0.545943 0.072979 0.417086 -0.284814 22H 1pz -0.017651 0.009543 -0.001521 -0.006001 -0.016409 0.008784 22H 1px 0.011168 0.006618 0.006104 0.009213 0.013627 -0.011775 22H 1py 0.009578 0.007895 0.015981 0.000815 0.009412 -0.019866 23H 1s 0.032159 -0.018274 -0.002929 -0.015788 0.010195 0.008557 23H 2s 0.474840 -0.374822 0.025219 -0.079873 0.180750 0.124431 23H 3s 0.531163 -0.387163 -0.106805 -0.159792 0.582402 -0.106878 23H 1pz 0.002543 -0.000145 0.000663 0.004013 -0.008062 0.003487 23H 1px -0.012089 0.010472 -0.014933 0.004733 -0.009208 -0.012666 23H 1py -0.027605 0.023956 0.000484 0.001170 -0.005602 -0.005535 24H 1s -0.018681 0.018677 0.013113 -0.018685 0.006109 0.007166 24H 2s -0.244727 0.184939 0.287729 -0.118764 0.057978 0.204765 24H 3s -0.392297 0.463264 -0.001762 -0.202503 0.391979 -0.200850 24H 1pz 0.016606 -0.011309 -0.013593 0.003984 0.001319 -0.010450 24H 1px -0.003809 0.004756 -0.022009 0.005065 -0.005841 -0.019357 24H 1py -0.011788 0.008117 0.004426 0.003029 -0.008010 0.003475 25H 1s -0.012816 0.001744 -0.012848 -0.007580 0.007626 -0.019638 25H 2s -0.219161 0.131169 -0.246825 0.037906 -0.096015 -0.297300 25H 3s -0.328758 0.324777 -0.539171 0.049161 -0.078739 -0.008083 25H 1pz 0.019446 -0.016887 0.008808 0.000446 0.010765 0.013614 25H 1px -0.006165 0.000977 -0.008626 0.005550 -0.009376 -0.015556 25H 1py -0.010627 0.007449 0.011309 0.000307 0.000930 0.007096 26O 1s -0.001583 -0.000315 0.002598 -0.008644 -0.013911 -0.002207 26O 2s -0.003604 -0.000356 0.006441 -0.020742 -0.035263 -0.004545 26O 3s 0.000326 -0.005873 -0.011584 0.026769 0.076506 -0.005838 26O 4s 0.054308 0.041139 -0.021750 0.085087 -0.018410 0.092736 26O 5s -0.049848 -0.132548 0.018055 0.419951 1.143043 -0.228978 26O 1pz -0.030708 -0.016792 0.013327 0.028640 -0.014908 0.000388 26O 1px -0.002265 -0.043101 0.052320 0.003456 -0.034498 -0.009425 26O 1py 0.008382 -0.003647 -0.004219 0.018569 -0.035683 -0.012722 26O 2pz -0.033974 -0.021095 -0.016291 0.022083 -0.021631 0.037192 26O 2px -0.023341 -0.041993 0.038146 -0.014854 -0.056881 0.002085 26O 2py 0.032107 0.034748 -0.014965 0.006542 -0.059398 0.017842 26O 3pz -0.037053 0.019996 0.175251 0.092218 0.073401 -0.257036 26O 3px -0.017556 -0.082813 0.178513 -0.312339 -0.289410 -0.137515 26O 3py -0.131420 -0.174089 0.071850 -0.051504 -0.033469 -0.224756 26O 1dz2 0.000196 0.000001 -0.001451 0.001433 0.000806 0.000520 26O 1dxz 0.000474 0.000878 -0.000844 -0.000769 0.000092 -0.001456 26O 1dyz 0.000668 0.000966 -0.000328 -0.001249 0.000020 -0.000180 26O 1dx2y2 -0.000069 -0.000479 0.000229 -0.002369 -0.001722 -0.000845 26O 1dxy -0.000781 -0.000356 0.000289 -0.002886 -0.001533 -0.002109 26O 2dz2 -0.012725 -0.003865 0.002473 -0.004357 -0.001335 -0.004943 26O 2dxz 0.000276 0.000252 -0.001354 -0.004425 0.001792 -0.002577 26O 2dyz 0.001629 0.006319 -0.000117 -0.002218 0.003711 -0.005799 26O 2dx2y2 0.007189 0.001625 -0.005724 0.008152 0.006702 0.005332 26O 2dxy 0.001042 -0.000632 -0.001816 0.004059 0.011999 -0.000442 26O 1f0 0.000054 0.000313 0.000185 0.000304 0.000326 -0.000059 26O 1f+1 0.000411 -0.000134 0.000161 0.000289 0.000563 -0.000092 26O 1f-1 -0.000371 -0.000503 0.000782 0.000312 0.000424 -0.000365 26O 1f+2 0.000308 0.000371 -0.000311 -0.000189 -0.000344 0.000344 26O 1f-2 -0.000113 -0.000807 0.000639 -0.000338 -0.000229 -0.000365 26O 1f+3 0.000413 0.000374 -0.000145 0.000090 0.000132 0.000377 26O 1f-3 -0.000135 -0.000017 -0.000491 0.000692 0.000947 -0.000043 27O 1s 0.004079 0.005970 -0.003959 -0.003217 0.014719 -0.000044 27O 2s 0.009713 0.015014 -0.009149 -0.007177 0.037326 0.000940 27O 3s -0.011571 -0.031972 0.007035 -0.000066 -0.080990 -0.016201 27O 4s -0.062225 0.000086 0.078937 0.078699 0.028580 0.102091 27O 5s 0.019400 -0.220537 -0.161293 0.031034 -1.485205 -0.623552 27O 1pz 0.002588 0.010723 0.009906 0.017428 -0.018712 0.034590 27O 1px 0.011314 0.018756 -0.053635 0.034725 0.058816 -0.024065 27O 1py -0.021841 0.020407 0.018435 -0.030831 -0.015118 0.002001 27O 2pz -0.016733 0.031995 0.035083 0.021874 0.012830 0.059919 27O 2px 0.007503 0.016952 -0.029170 0.017254 0.087167 0.017572 27O 2py 0.001113 0.033533 0.012815 -0.028723 -0.048055 -0.022528 27O 3pz 0.075030 -0.111491 -0.085602 0.042080 -0.222999 -0.132678 27O 3px 0.145856 0.041983 -0.232623 -0.152982 0.493482 -0.006332 27O 3py -0.154217 -0.015457 0.044678 -0.012490 0.110976 0.166352 27O 1dz2 -0.000712 -0.000756 0.001204 0.001764 -0.001191 -0.000366 27O 1dxz -0.000646 -0.000617 0.000924 -0.000000 -0.000096 -0.001590 27O 1dyz 0.000628 0.000321 -0.000665 0.000866 -0.000067 0.000069 27O 1dx2y2 0.000930 0.000857 -0.001219 -0.001687 0.003813 0.000395 27O 1dxy -0.000206 -0.000791 -0.001027 0.002035 0.000186 0.000823 27O 2dz2 0.006439 0.002314 0.000374 -0.001858 0.010419 0.009183 27O 2dxz 0.004266 -0.003686 -0.000728 -0.006083 0.000195 -0.004385 27O 2dyz -0.002953 -0.000250 -0.004304 0.003645 0.010277 -0.000950 27O 2dx2y2 -0.009144 0.006700 0.001184 0.008345 -0.003516 -0.005184 27O 2dxy 0.001010 -0.005022 -0.000278 0.004135 0.009720 0.005635 27O 1f0 -0.000061 -0.000442 0.000209 -0.000062 0.000236 0.000093 27O 1f+1 -0.000346 -0.000361 0.000264 0.000278 -0.001024 -0.000569 27O 1f-1 -0.000186 -0.000039 -0.000087 -0.000056 0.001061 0.000039 27O 1f+2 -0.000570 0.000365 0.000434 -0.000023 0.000506 0.000264 27O 1f-2 -0.000139 -0.000214 0.000876 -0.000071 -0.000352 0.000900 27O 1f+3 -0.000186 -0.000062 -0.000564 0.000323 -0.000306 -0.001233 27O 1f-3 -0.000045 -0.000244 -0.000457 -0.000166 0.001787 0.000316 28O 1s 0.002393 -0.007640 0.008922 -0.008120 -0.001946 0.006726 28O 2s 0.005630 -0.019910 0.023127 -0.019848 -0.004560 0.015446 28O 3s -0.003131 0.051315 -0.059570 0.031836 0.004072 -0.008418 28O 4s -0.056332 -0.053057 0.057172 0.043352 0.028104 -0.140056 28O 5s -0.110436 0.828633 -0.645131 0.524247 -0.018014 -0.019202 28O 1pz 0.013306 -0.027754 0.008495 0.029778 -0.038693 -0.006904 28O 1px 0.026155 0.033972 -0.044050 0.011654 0.018534 0.018324 28O 1py 0.001698 -0.010060 0.004063 0.029869 0.013296 -0.016303 28O 2pz 0.040310 -0.027795 -0.001550 0.013676 -0.048260 0.014488 28O 2px 0.007437 0.036033 -0.034991 0.020310 0.012256 0.003561 28O 2py -0.006138 -0.017937 0.005802 0.019911 0.008378 -0.014300 28O 3pz 0.068438 -0.184418 0.092454 -0.100203 0.007946 0.025988 28O 3px -0.083588 0.205798 -0.132631 0.283138 0.159239 -0.114819 28O 3py 0.004200 -0.074468 -0.007171 0.068965 0.090557 -0.041540 28O 1dz2 0.000166 0.000733 0.000728 -0.000912 0.001858 -0.000040 28O 1dxz -0.001008 0.001299 -0.001205 0.003376 0.000085 -0.002195 28O 1dyz -0.000975 0.000111 -0.000869 -0.001307 0.000100 0.001441 28O 1dx2y2 0.001177 -0.000652 0.000961 -0.001605 -0.001506 0.000909 28O 1dxy 0.001192 0.001472 -0.000476 0.000615 -0.000895 0.000733 28O 2dz2 -0.000732 0.002964 -0.002138 -0.001470 0.005471 0.007293 28O 2dxz 0.012360 -0.005358 -0.007114 -0.002302 -0.000948 0.009587 28O 2dyz 0.005001 0.006263 -0.004286 -0.000655 0.003536 0.006692 28O 2dx2y2 -0.010800 0.003110 -0.000658 0.004950 -0.002143 -0.005285 28O 2dxy 0.001888 0.001281 0.001265 0.002667 0.001378 0.000757 28O 1f0 -0.000226 -0.000006 0.000094 -0.000058 -0.000306 -0.000412 28O 1f+1 -0.000053 0.000824 -0.000130 0.000662 0.000407 0.000240 28O 1f-1 0.000024 -0.000596 0.000637 -0.000178 -0.000265 -0.000486 28O 1f+2 0.000304 -0.000530 -0.000065 -0.000513 -0.000232 0.000614 28O 1f-2 0.000217 0.000361 -0.000565 0.000543 0.000080 -0.000026 28O 1f+3 0.000796 0.000111 0.000226 -0.000023 -0.000060 0.000503 28O 1f-3 -0.000133 -0.000298 -0.000253 0.000137 -0.000100 -0.000063 29O 1s -0.000432 0.000170 0.001275 -0.011204 0.003641 -0.005984 29O 2s -0.001044 0.000089 0.003104 -0.026195 0.008911 -0.014549 29O 3s 0.001482 0.004596 -0.005222 0.025089 -0.015505 0.023177 29O 4s 0.001529 -0.027614 -0.003435 0.184111 -0.027776 0.064004 29O 5s 0.022160 0.097865 -0.056434 -0.076488 -0.065609 0.029906 29O 1pz 0.011443 -0.007016 -0.006254 0.035141 0.020215 0.004032 29O 1px 0.006531 0.025018 -0.020638 -0.087163 -0.001058 -0.033945 29O 1py 0.005980 -0.007045 -0.029319 -0.021897 -0.005988 -0.036418 29O 2pz 0.011871 -0.015137 0.005804 0.030187 0.000726 -0.010412 29O 2px 0.010656 0.023800 -0.022285 -0.084146 -0.014089 -0.037642 29O 2py 0.005909 -0.001939 -0.042198 -0.029677 -0.014112 -0.044796 29O 3pz -0.008954 -0.087918 0.020327 0.005262 -0.080659 -0.070846 29O 3px -0.018367 0.001989 -0.002000 -0.111728 -0.014139 -0.100753 29O 3py -0.002483 -0.039955 0.041888 -0.001826 0.046976 0.041836 29O 1dz2 -0.000139 -0.001409 0.000640 0.000905 -0.001337 -0.001134 29O 1dxz -0.000020 0.000648 -0.000144 0.002272 0.000571 0.002944 29O 1dyz -0.000361 -0.001419 0.001074 -0.000553 -0.002123 -0.001996 29O 1dx2y2 0.000054 0.000552 -0.000477 -0.002577 0.000795 -0.001158 29O 1dxy 0.000184 -0.000791 -0.000613 -0.000591 -0.001162 -0.001675 29O 2dz2 0.000790 0.000459 -0.002066 0.005792 0.009083 -0.000154 29O 2dxz -0.001267 -0.001985 0.004490 0.003852 -0.009577 0.003028 29O 2dyz 0.001086 0.003324 -0.001801 0.002079 0.010262 0.003682 29O 2dx2y2 0.000059 -0.001792 0.001441 -0.007540 -0.000905 -0.004508 29O 2dxy 0.000471 0.002387 -0.004324 0.000733 -0.000474 0.002334 29O 1f0 -0.000123 -0.000313 0.000312 -0.000391 -0.000375 -0.000038 29O 1f+1 0.000050 -0.000069 -0.000001 -0.000230 -0.000520 -0.000293 29O 1f-1 -0.000151 -0.000260 0.000176 -0.000985 -0.001159 -0.000209 29O 1f+2 0.000120 0.000129 -0.000313 0.000536 0.000483 0.000034 29O 1f-2 0.000080 0.000605 -0.000674 -0.000450 0.001128 0.000345 29O 1f+3 -0.000106 -0.000169 0.000506 0.000721 -0.000494 0.000261 29O 1f-3 -0.000065 -0.000111 0.000213 -0.000590 -0.000524 -0.000613 30O 1s -0.002001 0.003970 -0.013975 -0.003620 0.011585 0.001771 30O 2s -0.004649 0.009824 -0.035731 -0.008623 0.027764 0.003075 30O 3s -0.000640 -0.017090 0.083035 0.010570 -0.034968 0.013788 30O 4s 0.063494 -0.020991 -0.044014 0.031270 -0.127679 -0.120697 30O 5s 0.272926 -0.175221 1.120116 0.192409 -0.582339 0.632923 30O 1pz 0.009680 -0.013037 -0.017844 0.026899 0.033710 -0.034502 30O 1px -0.038075 -0.017129 0.038585 0.002653 -0.042944 -0.004400 30O 1py 0.014435 -0.015539 0.031619 -0.053949 -0.038493 0.047821 30O 2pz -0.013769 -0.012645 -0.033482 0.015258 0.036081 -0.045045 30O 2px -0.002958 -0.028224 0.036249 0.002278 -0.056674 0.003699 30O 2py 0.053742 -0.011304 0.036622 -0.045860 -0.064246 0.038392 30O 3pz -0.093591 0.030355 -0.120319 -0.008977 0.225738 -0.083768 30O 3px 0.114329 -0.087747 0.267166 0.141599 -0.453318 0.004774 30O 3py 0.048474 -0.139184 0.136498 -0.001860 -0.103162 0.168188 30O 1dz2 0.000608 -0.000304 -0.001143 0.000261 -0.001990 -0.001601 30O 1dxz 0.001101 -0.000505 0.002065 0.001305 -0.002585 -0.000381 30O 1dyz 0.000225 -0.000522 0.000878 0.002322 -0.001109 -0.001227 30O 1dx2y2 -0.001174 0.000873 -0.001200 0.000787 0.001812 0.000067 30O 1dxy -0.000432 0.001207 -0.001884 -0.001869 0.001147 0.000294 30O 2dz2 -0.003179 0.003347 -0.005396 -0.000681 0.005235 -0.000697 30O 2dxz -0.014236 0.003055 -0.000975 -0.000481 0.010310 -0.004213 30O 2dyz -0.004261 0.001811 -0.008481 0.004833 0.012149 -0.013709 30O 2dx2y2 0.010493 -0.001096 -0.000943 0.003632 -0.005682 -0.004574 30O 2dxy 0.019586 -0.004913 -0.000611 -0.002278 -0.008279 0.003033 30O 1f0 0.000511 -0.000588 0.000584 -0.000026 -0.000861 0.000253 30O 1f+1 -0.000124 -0.000249 -0.000147 0.000205 0.000305 0.000172 30O 1f-1 -0.000024 -0.000011 0.000164 0.000061 -0.000578 0.000455 30O 1f+2 -0.000462 0.000025 0.000760 -0.000024 -0.000186 0.000642 30O 1f-2 -0.000352 0.000299 -0.001082 -0.000317 0.001250 -0.000661 30O 1f+3 -0.000250 0.000004 0.000509 0.000353 -0.000319 0.000324 30O 1f-3 -0.000874 -0.000045 -0.000008 -0.000043 0.000061 0.000220 31O 1s 0.001189 0.004276 -0.013924 -0.003645 0.010502 -0.005527 31O 2s 0.002585 0.010533 -0.035600 -0.008674 0.025575 -0.012149 31O 3s 0.005237 -0.017274 0.082602 0.010518 -0.038319 -0.001193 31O 4s -0.064661 -0.028971 -0.042768 0.032200 -0.080442 0.155636 31O 5s -0.215809 -0.193937 1.122850 0.186671 -0.782741 -0.402167 31O 1pz 0.009777 0.014361 0.017773 -0.027105 -0.043409 -0.020294 31O 1px -0.041133 0.014352 -0.037550 -0.003000 0.038834 -0.018348 31O 1py 0.011842 0.016902 -0.032423 0.054316 0.052290 0.032094 31O 2pz -0.013683 0.012613 0.033698 -0.015839 -0.049905 -0.029180 31O 2px -0.006540 0.028528 -0.036364 -0.002393 0.055414 -0.014668 31O 2py 0.051630 0.016155 -0.038120 0.046246 0.073912 0.014660 31O 3pz -0.083669 -0.038574 0.124003 0.009222 -0.244346 -0.006015 31O 3px 0.098500 0.098291 -0.267010 -0.141899 0.435570 -0.145710 31O 3py 0.029555 0.143285 -0.139885 0.003403 0.158767 0.127362 31O 1dz2 -0.000624 -0.000399 -0.001149 0.000275 -0.001368 0.002158 31O 1dxz -0.000977 -0.000581 0.002083 0.001316 -0.002318 0.001194 31O 1dyz -0.000188 -0.000548 0.000864 0.002328 -0.000673 0.001497 31O 1dx2y2 0.001077 0.000967 -0.001210 0.000784 0.001709 -0.000668 31O 1dxy 0.000258 0.001272 -0.001878 -0.001869 0.001028 -0.000629 31O 2dz2 0.002711 0.003714 -0.005476 -0.000649 0.005256 -0.001025 31O 2dxz 0.013962 0.004376 -0.001348 -0.000338 0.011703 0.000706 31O 2dyz 0.003807 0.002107 -0.008642 0.004926 0.016300 0.008819 31O 2dx2y2 -0.010493 -0.001986 -0.000662 0.003659 -0.004069 0.006130 31O 2dxy -0.019296 -0.006591 -0.000014 -0.002386 -0.009326 -0.000295 31O 1f0 0.000432 0.000644 -0.000599 0.000029 0.000923 -0.000033 31O 1f+1 -0.000135 0.000242 0.000157 -0.000202 -0.000220 0.000267 31O 1f-1 -0.000042 0.000005 -0.000167 -0.000060 0.000697 0.000230 31O 1f+2 -0.000501 -0.000081 -0.000760 0.000023 0.000364 0.000539 31O 1f-2 -0.000293 -0.000323 0.001082 0.000311 -0.001434 -0.000208 31O 1f+3 -0.000264 -0.000022 -0.000496 -0.000351 0.000412 0.000199 31O 1f-3 -0.000889 -0.000026 0.000028 0.000040 -0.000007 0.000220 32O 1s 0.000492 0.000189 0.001286 -0.011144 0.005520 0.004506 32O 2s 0.001204 0.000139 0.003128 -0.026045 0.013470 0.010914 32O 3s -0.001901 0.004426 -0.005202 0.024779 -0.022649 -0.016571 32O 4s -0.000727 -0.027002 -0.003542 0.183737 -0.048538 -0.053586 32O 5s -0.029460 0.095052 -0.057953 -0.076900 -0.071506 -0.002623 32O 1pz 0.010689 0.008083 0.005026 -0.035063 -0.017192 0.011734 32O 1px 0.007776 -0.023860 0.020474 0.087067 -0.010428 -0.033527 32O 1py 0.006885 0.008321 0.029786 0.021597 -0.006028 -0.036466 32O 2pz 0.009889 0.016444 -0.007350 -0.030499 -0.004109 -0.007575 32O 2px 0.011770 -0.022184 0.022163 0.083959 0.000921 -0.041199 32O 2py 0.007479 0.003833 0.042389 0.029513 -0.000325 -0.047841 32O 3pz -0.014527 0.087044 -0.020549 -0.005486 0.051023 -0.091742 32O 3px -0.018261 -0.004041 0.003096 0.110287 -0.026460 -0.098208 32O 3py -0.007087 0.040659 -0.043769 0.003211 -0.028711 0.052351 32O 1dz2 0.000226 -0.001351 0.000628 0.000952 -0.000815 0.001337 32O 1dxz -0.000029 0.000705 -0.000146 0.002242 -0.000478 -0.003003 32O 1dyz 0.000492 -0.001436 0.001091 -0.000536 -0.001278 0.002574 32O 1dx2y2 -0.000106 0.000577 -0.000508 -0.002553 0.001167 0.000787 32O 1dxy -0.000162 -0.000791 -0.000634 -0.000567 -0.000491 0.001865 32O 2dz2 -0.000808 0.000180 -0.001781 0.005693 0.007945 -0.002503 32O 2dxz 0.001555 -0.001884 0.004550 0.003762 -0.010024 0.000356 32O 2dyz -0.001359 0.003241 -0.001818 0.002112 0.008599 -0.006755 32O 2dx2y2 0.000198 -0.001976 0.001600 -0.007631 0.000225 0.004818 32O 2dxy -0.000620 0.002109 -0.004139 0.000611 -0.001702 -0.001698 32O 1f0 -0.000156 0.000301 -0.000321 0.000346 0.000300 -0.000138 32O 1f+1 0.000048 0.000085 0.000000 0.000191 0.000389 -0.000454 32O 1f-1 -0.000187 0.000262 -0.000175 0.000993 0.001010 -0.000582 32O 1f+2 0.000145 -0.000116 0.000306 -0.000558 -0.000466 0.000189 32O 1f-2 0.000141 -0.000589 0.000681 0.000473 -0.000933 0.000649 32O 1f+3 -0.000128 0.000135 -0.000486 -0.000725 0.000521 0.000130 32O 1f-3 -0.000089 0.000116 -0.000224 0.000581 0.000301 -0.000746 33O 1s -0.001559 -0.007873 0.008998 -0.008171 -0.004087 -0.005766 33O 2s -0.003466 -0.020458 0.023297 -0.019963 -0.009480 -0.013239 33O 3s -0.002354 0.051713 -0.059514 0.031881 0.006806 0.007115 33O 4s 0.061226 -0.047945 0.054529 0.044597 0.072385 0.122113 33O 5s 0.038455 0.830563 -0.645962 0.522039 -0.010913 0.036873 33O 1pz 0.011176 0.029116 -0.008942 -0.029914 0.033522 -0.017669 33O 1px 0.030020 -0.032559 0.042633 -0.011505 -0.011682 0.022823 33O 1py 0.001364 0.010198 -0.003611 -0.030088 -0.017633 -0.010420 33O 2pz 0.039069 0.030553 -0.000296 -0.013573 0.049937 -0.001034 33O 2px 0.011143 -0.035809 0.034086 -0.020110 -0.010385 0.006549 33O 2py -0.006488 0.017006 -0.004728 -0.020301 -0.011658 -0.010016 33O 3pz 0.049356 0.189598 -0.092427 0.098587 -0.004283 0.033897 33O 3px -0.064890 -0.211924 0.134630 -0.283454 -0.188884 -0.058293 33O 3py -0.003330 0.077129 0.006318 -0.068710 -0.103602 -0.006535 33O 1dz2 -0.000201 0.000732 0.000732 -0.000910 0.001766 -0.000532 33O 1dxz 0.000865 0.001356 -0.001229 0.003383 0.000831 0.002035 33O 1dyz 0.000932 0.000199 -0.000891 -0.001316 -0.000381 -0.001387 33O 1dx2y2 -0.001072 -0.000763 0.000992 -0.001613 -0.001753 -0.000355 33O 1dxy -0.001321 0.001400 -0.000433 0.000610 -0.001102 -0.000365 33O 2dz2 0.000513 0.002994 -0.002046 -0.001564 0.002839 -0.008576 33O 2dxz -0.012139 -0.006289 -0.006601 -0.002350 -0.003797 -0.008990 33O 2dyz -0.005460 0.005937 -0.004107 -0.000709 0.001172 -0.007350 33O 2dx2y2 0.010550 0.003844 -0.000940 0.004945 -0.000403 0.005929 33O 2dxy -0.001938 0.001164 0.001261 0.002670 0.000992 -0.001209 33O 1f0 -0.000229 -0.000022 -0.000079 0.000052 0.000154 -0.000482 33O 1f+1 0.000011 -0.000827 0.000128 -0.000658 -0.000301 0.000352 33O 1f-1 -0.000056 0.000609 -0.000633 0.000174 0.000078 -0.000530 33O 1f+2 0.000275 0.000548 0.000060 0.000511 0.000426 0.000513 33O 1f-2 0.000247 -0.000341 0.000556 -0.000542 -0.000092 -0.000005 33O 1f+3 0.000792 -0.000056 -0.000255 0.000027 0.000217 0.000458 33O 1f-3 -0.000151 0.000292 0.000256 -0.000136 0.000063 -0.000085 34O 1s -0.004612 0.005676 -0.003787 -0.003282 0.013875 -0.004736 34O 2s -0.011045 0.014326 -0.008738 -0.007349 0.034837 -0.013005 34O 3s 0.014257 -0.031407 0.006555 0.000361 -0.070921 0.041636 34O 4s 0.063549 0.006225 0.076378 0.078219 -0.007083 -0.105753 34O 5s -0.007014 -0.225405 -0.161045 0.039492 -1.182789 1.075189 34O 1pz 0.002845 -0.010870 -0.009967 -0.017085 0.029987 0.026811 34O 1px 0.015329 -0.018296 0.053501 -0.034653 -0.063130 -0.002496 34O 1py -0.021363 -0.022851 -0.017571 0.030678 0.014398 -0.003965 34O 2pz -0.015736 -0.034848 -0.034735 -0.021422 0.008175 0.060740 34O 2px 0.010059 -0.016783 0.028803 -0.016875 -0.075896 0.045932 34O 2py 0.003745 -0.034533 -0.012104 0.028405 0.038129 -0.038330 34O 3pz 0.070661 0.122181 0.085088 -0.042566 0.170294 -0.196472 34O 3px 0.158752 -0.027313 0.228002 0.155510 -0.458530 0.156157 34O 3py -0.162589 0.001951 -0.043412 0.013386 -0.057350 0.194121 34O 1dz2 0.000778 -0.000673 0.001167 0.001777 -0.000978 0.000711 34O 1dxz 0.000703 -0.000595 0.000867 0.000013 0.000427 0.001547 34O 1dyz -0.000691 0.000267 -0.000652 0.000861 -0.000100 -0.000054 34O 1dx2y2 -0.001046 0.000766 -0.001182 -0.001704 0.003439 -0.001589 34O 1dxy 0.000209 -0.000798 -0.001016 0.002022 -0.000100 -0.000880 34O 2dz2 -0.006678 0.002019 0.000633 -0.001960 0.006541 -0.012067 34O 2dxz -0.004060 -0.004204 -0.000556 -0.006071 0.001524 0.004035 34O 2dyz 0.002795 0.000007 -0.004485 0.003631 0.010063 -0.002621 34O 2dx2y2 0.008690 0.007802 0.000858 0.008459 -0.001120 0.006143 34O 2dxy -0.000704 -0.005163 -0.000293 0.004085 0.007186 -0.008690 34O 1f0 -0.000108 0.000437 -0.000210 0.000061 -0.000189 0.000172 34O 1f+1 -0.000385 0.000345 -0.000248 -0.000285 0.000765 -0.000867 34O 1f-1 -0.000178 0.000018 0.000099 0.000058 -0.000982 0.000385 34O 1f+2 -0.000571 -0.000429 -0.000414 0.000024 -0.000406 0.000413 34O 1f-2 -0.000202 0.000192 -0.000878 0.000075 0.000625 0.000723 34O 1f+3 -0.000156 0.000046 0.000579 -0.000336 -0.000136 -0.001254 34O 1f-3 -0.000049 0.000245 0.000460 0.000173 -0.001561 0.000896 35O 1s 0.001844 -0.000328 0.002476 -0.008649 -0.012501 0.006714 35O 2s 0.004250 -0.000414 0.006149 -0.020759 -0.032033 0.016028 35O 3s -0.001525 -0.005170 -0.011232 0.026919 0.074615 -0.019939 35O 4s -0.055837 0.036745 -0.019737 0.084404 -0.047900 -0.081544 35O 5s 0.047618 -0.126446 0.017908 0.421990 1.163427 -0.161964 35O 1pz -0.031860 0.013625 -0.012267 -0.028808 0.014430 -0.003873 35O 1px -0.007345 0.043697 -0.051820 -0.003614 0.029604 -0.019202 35O 1py 0.008742 0.004735 0.003700 -0.018542 0.029407 -0.023729 35O 2pz -0.034423 0.017208 0.017325 -0.021995 0.033108 0.029250 35O 2px -0.027681 0.040146 -0.037104 0.014644 0.054936 -0.015832 35O 2py 0.035662 -0.032622 0.013082 -0.006189 0.061794 -0.003306 35O 3pz -0.041051 -0.021517 -0.172795 -0.095062 -0.155700 -0.220126 35O 3px -0.029908 0.082126 -0.175901 0.310671 0.233035 -0.224827 35O 3py -0.146743 0.165916 -0.065469 0.049406 -0.039834 -0.221549 35O 1dz2 -0.000270 -0.000012 -0.001456 0.001426 0.000582 -0.000759 35O 1dxz -0.000547 0.000816 -0.000844 -0.000754 0.000593 0.001356 35O 1dyz -0.000750 0.000908 -0.000300 -0.001252 0.000088 0.000199 35O 1dx2y2 0.000102 -0.000464 0.000209 -0.002353 -0.001387 0.001366 35O 1dxy 0.000857 -0.000323 0.000251 -0.002870 -0.000765 0.002505 35O 2dz2 0.012981 -0.002768 0.002070 -0.004273 0.000159 0.005188 35O 2dxz -0.000312 0.000192 -0.001323 -0.004419 0.002506 0.001919 35O 2dyz -0.002030 0.006350 -0.000060 -0.002170 0.005378 0.004475 35O 2dx2y2 -0.007375 0.000813 -0.005442 0.008079 0.004832 -0.007318 35O 2dxy -0.000926 -0.000914 -0.001839 0.004077 0.011667 -0.003588 35O 1f0 0.000073 -0.000314 -0.000193 -0.000305 -0.000322 0.000042 35O 1f+1 0.000399 0.000164 -0.000170 -0.000290 -0.000580 0.000114 35O 1f-1 -0.000439 0.000466 -0.000764 -0.000319 -0.000523 -0.000202 35O 1f+2 0.000341 -0.000343 0.000304 0.000193 0.000435 0.000213 35O 1f-2 -0.000198 0.000807 -0.000630 0.000333 0.000091 -0.000399 35O 1f+3 0.000443 -0.000340 0.000126 -0.000085 -0.000001 0.000394 35O 1f-3 -0.000121 0.000013 0.000497 -0.000691 -0.000931 0.000270 162 163 164 165 166 167 0.26125 0.26308 0.27304 0.27827 0.29046 0.30358 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s 0.000453 0.001716 0.000183 -0.002213 0.000643 0.001276 0Rh 2s -0.002316 -0.006436 -0.000736 0.008332 -0.002619 -0.004370 0Rh 3s 0.001200 0.005994 0.000609 -0.007714 0.002118 0.004721 0Rh 4s 0.010468 0.028369 0.003267 -0.036723 0.011638 0.019092 0Rh 5s -0.013474 -0.023026 -0.003049 0.029317 -0.010944 -0.011568 0Rh 6s -0.000838 -0.049144 -0.004179 0.067217 -0.016101 -0.048492 0Rh 7s -0.310963 -0.649624 0.004482 -0.387170 -0.060066 0.429970 0Rh 8s 2.005533 1.817111 0.011744 1.515548 1.112915 -2.540910 0Rh 1pz -0.001464 -0.007478 -0.000215 -0.002675 0.012902 -0.000863 0Rh 1px -0.004405 0.008070 -0.000221 0.000411 0.000971 0.003815 0Rh 1py -0.004429 0.004143 0.000054 0.003888 0.002352 -0.014411 0Rh 2pz 0.004962 0.025798 0.000779 0.009194 -0.044546 0.002986 0Rh 2px 0.015265 -0.027968 0.000772 -0.001323 -0.003387 -0.013189 0Rh 2py 0.015287 -0.014301 -0.000196 -0.013347 -0.008085 0.049704 0Rh 3pz -0.003062 -0.025164 -0.001501 -0.008184 0.043636 -0.003080 0Rh 3px -0.016411 0.029623 -0.000929 -0.000616 0.003856 0.013277 0Rh 3py -0.014985 0.014058 0.000345 0.011629 0.007194 -0.047419 0Rh 4pz -0.012125 -0.023848 0.002313 -0.012149 0.041861 -0.001946 0Rh 4px -0.006357 0.018225 -0.000001 0.009469 0.001763 0.010189 0Rh 4py -0.014112 0.013182 -0.000431 0.018172 0.010625 -0.052397 0Rh 5pz 0.013384 -0.036631 -0.008655 -0.001683 0.056447 -0.006730 0Rh 5px -0.051031 0.038725 -0.002880 -0.023775 0.003346 0.028477 0Rh 5py -0.023921 0.016515 0.001613 0.003124 0.003100 -0.048402 0Rh 6pz -0.122657 0.670843 0.206722 0.127332 -1.059337 -0.063995 0Rh 6px 0.754240 -0.275344 0.075355 0.178693 -0.120733 -0.289652 0Rh 6py 0.576576 -0.157566 -0.037935 -0.175207 -0.211548 0.970910 0Rh 1dz2 -0.008909 -0.015416 -0.019213 -0.003759 0.007166 0.003846 0Rh 1dxz -0.005493 0.004985 -0.007723 0.010623 -0.008722 0.006295 0Rh 1dyz -0.012379 -0.000093 0.013776 0.013195 0.006646 0.005468 0Rh 1dx2y2 0.005643 0.012484 -0.011888 0.006396 0.000001 -0.003224 0Rh 1dxy 0.011909 0.002157 0.000307 0.012759 0.011789 -0.000819 0Rh 2dz2 0.000110 0.000973 0.001248 -0.000778 -0.000378 -0.000003 0Rh 2dxz 0.000127 -0.000178 0.000973 -0.000412 0.000031 0.000203 0Rh 2dyz 0.000113 0.000051 -0.001282 -0.000879 -0.000531 -0.000469 0Rh 2dx2y2 -0.000200 -0.000800 0.001031 0.000119 -0.000095 -0.000750 0Rh 2dxy 0.000154 -0.000250 -0.000122 -0.000484 -0.000539 -0.000399 0Rh 3dz2 0.015378 0.023504 0.029414 0.010023 -0.011243 -0.006931 0Rh 3dxz 0.009284 -0.008288 0.009928 -0.017323 0.015501 -0.012234 0Rh 3dyz 0.021532 -0.000128 -0.019367 -0.019809 -0.009593 -0.007865 0Rh 3dx2y2 -0.009213 -0.018917 0.017153 -0.011999 0.000424 0.008935 0Rh 3dxy -0.021924 -0.002824 0.000001 -0.020895 -0.018942 0.003243 0Rh 4dz2 0.013416 0.032864 0.040775 -0.005944 -0.015225 -0.004476 0Rh 4dxz 0.008393 -0.008778 0.022142 -0.020517 0.012321 -0.004869 0Rh 4dyz 0.018731 0.001472 -0.035962 -0.031082 -0.017042 -0.013894 0Rh 4dx2y2 -0.009265 -0.026403 0.028394 -0.006036 -0.001170 -0.006887 0Rh 4dxy -0.013839 -0.005768 -0.002512 -0.023146 -0.023032 -0.005689 0Rh 5dz2 0.037293 0.012778 0.016700 0.067552 0.008522 -0.031637 0Rh 5dxz 0.036334 -0.007455 -0.019898 0.004558 0.027095 -0.047851 0Rh 5dyz 0.036702 -0.008028 0.042190 0.015463 0.015863 0.002680 0Rh 5dx2y2 -0.041936 -0.017328 -0.002396 -0.050835 -0.005267 0.078595 0Rh 5dxy -0.059678 0.000081 0.015790 -0.031100 -0.014049 0.056294 0Rh 1f0 -0.001706 0.001263 -0.003261 -0.001656 0.001933 -0.002630 0Rh 1f+1 -0.000496 -0.000541 0.002767 -0.002951 0.008034 -0.001624 0Rh 1f-1 -0.001185 -0.001014 0.001314 0.000071 0.005506 -0.005548 0Rh 1f+2 0.004507 0.002914 0.001924 0.002852 -0.007137 -0.001682 0Rh 1f-2 -0.001155 -0.001421 -0.001183 0.004469 -0.000590 -0.007363 0Rh 1f+3 0.003862 -0.000976 -0.004009 -0.001701 0.004715 0.003643 0Rh 1f-3 -0.003051 0.000544 -0.001286 0.000101 0.001501 -0.009618 1Rh 1s -0.000286 0.001739 0.000164 0.002216 -0.000654 -0.001242 1Rh 2s 0.001686 -0.006580 -0.000650 -0.008345 0.002658 0.004255 1Rh 3s -0.000618 0.006042 0.000550 0.007726 -0.002156 -0.004594 1Rh 4s -0.007691 0.029028 0.002881 0.036782 -0.011810 -0.018587 1Rh 5s 0.011202 -0.024021 -0.002628 -0.029368 0.011079 0.011269 1Rh 6s -0.003913 -0.048701 -0.003871 -0.067307 0.016414 0.047156 1Rh 7s 0.245853 -0.679707 0.010133 0.402682 0.058629 -0.428193 1Rh 8s -1.817541 2.032120 -0.039098 -1.552397 -1.112268 2.550014 1Rh 1pz -0.000683 0.007686 0.000322 -0.002766 0.012787 -0.001026 1Rh 1px -0.005211 -0.007588 0.000107 0.000489 0.000978 0.003761 1Rh 1py -0.004816 -0.003563 0.000011 0.004036 0.002388 -0.014348 1Rh 2pz 0.002271 -0.026503 -0.001150 0.009507 -0.044149 0.003552 1Rh 2px 0.018054 0.026299 -0.000380 -0.001594 -0.003406 -0.012998 1Rh 2py 0.016622 0.012300 -0.000027 -0.013859 -0.008207 0.049484 1Rh 3pz -0.000485 0.025623 0.001899 -0.008468 0.043238 -0.003710 1Rh 3px -0.019322 -0.027873 0.000560 -0.000307 0.003795 0.013042 1Rh 3py -0.016301 -0.012102 -0.000166 0.012173 0.007296 -0.047165 1Rh 4pz -0.009465 0.025453 -0.002111 -0.012512 0.041521 -0.002189 1Rh 4px -0.008356 -0.017341 -0.000378 0.009558 0.002097 0.010183 1Rh 4py -0.015332 -0.011307 0.000798 0.018469 0.010803 -0.052346 1Rh 5pz 0.016925 0.035120 0.009488 -0.001996 0.055815 -0.008014 1Rh 5px -0.054362 -0.033705 0.002123 -0.023185 0.002592 0.027928 1Rh 5py -0.025393 -0.013538 -0.001717 0.004354 0.003129 -0.047698 1Rh 6pz -0.191229 -0.656929 -0.222698 0.132708 -1.043048 -0.025137 1Rh 6px 0.776895 0.204320 -0.063016 0.175342 -0.114378 -0.275032 1Rh 6py 0.585736 0.086677 0.031218 -0.191935 -0.212151 0.958226 1Rh 1dz2 0.007437 -0.016268 -0.019067 0.003905 -0.006918 -0.003577 1Rh 1dxz 0.006151 0.004147 -0.007685 -0.010621 0.008598 -0.007105 1Rh 1dyz 0.011981 -0.001619 0.013807 -0.013408 -0.006755 -0.005608 1Rh 1dx2y2 -0.004257 0.012829 -0.012074 -0.006402 -0.000074 0.002918 1Rh 1dxy -0.011541 0.003337 -0.000044 -0.012751 -0.011765 0.000947 1Rh 2dz2 -0.000017 0.000985 0.001255 0.000773 0.000358 0.000017 1Rh 2dxz -0.000157 -0.000161 0.000987 0.000414 -0.000039 -0.000181 1Rh 2dyz -0.000078 0.000080 -0.001290 0.000901 0.000544 0.000476 1Rh 2dx2y2 0.000112 -0.000814 0.001043 -0.000127 0.000102 0.000761 1Rh 2dxy -0.000179 -0.000228 -0.000108 0.000484 0.000533 0.000397 1Rh 3dz2 -0.013139 0.024964 0.029125 -0.010264 0.010883 0.006388 1Rh 3dxz -0.010347 -0.006859 0.009808 0.017312 -0.015242 0.013604 1Rh 3dyz -0.020980 0.002465 -0.019390 0.020096 0.009734 0.008087 1Rh 3dx2y2 0.007104 -0.019474 0.017437 0.012041 -0.000323 -0.008426 1Rh 3dxy 0.021365 -0.005027 0.000574 0.020877 0.018921 -0.003464 1Rh 4dz2 -0.010244 0.034179 0.040663 0.005726 0.014632 0.004296 1Rh 4dxz -0.009638 -0.007513 0.022258 0.020545 -0.012264 0.006238 1Rh 4dyz -0.017610 0.003982 -0.036092 0.031690 0.017368 0.014213 1Rh 4dx2y2 0.006352 -0.026939 0.028769 0.005933 0.001363 0.007436 1Rh 4dxy 0.013081 -0.007029 -0.001877 0.023166 0.022943 0.005517 1Rh 5dz2 -0.036344 0.016185 0.015673 -0.068625 -0.008358 0.029662 1Rh 5dxz -0.036940 -0.002699 -0.021049 -0.004962 -0.026031 0.049629 1Rh 5dyz -0.038580 -0.004398 0.042451 -0.016745 -0.016360 -0.003207 1Rh 5dx2y2 0.039745 -0.021127 -0.001700 0.051696 0.005077 -0.077974 1Rh 5dxy 0.058818 -0.006377 0.016634 0.030572 0.014017 -0.057060 1Rh 1f0 -0.001867 -0.001092 0.003249 -0.001629 0.001904 -0.002594 1Rh 1f+1 -0.000394 0.000622 -0.002723 -0.002920 0.008069 -0.001799 1Rh 1f-1 -0.001049 0.001183 -0.001246 0.000093 0.005489 -0.005650 1Rh 1f+2 0.004187 -0.003408 -0.001913 0.002903 -0.007060 -0.001482 1Rh 1f-2 -0.000935 0.001597 0.001235 0.004465 -0.000613 -0.007253 1Rh 1f+3 0.003903 0.000544 0.004072 -0.001678 0.004632 0.003551 1Rh 1f-3 -0.003096 -0.000179 0.001328 0.000033 0.001499 -0.009615 2C 1s 0.001745 -0.008778 0.001364 0.001021 -0.004786 -0.002634 2C 2s 0.003922 -0.019149 0.003025 0.002181 -0.009676 -0.006217 2C 3s -0.016881 0.017321 -0.007065 -0.010074 -0.006321 0.019520 2C 4s 0.052101 0.206358 -0.020842 0.031123 0.202293 -0.006510 2C 5s -0.763533 -1.151707 0.982119 0.122712 0.050547 -1.388361 2C 1pz -0.009865 0.046841 0.012702 -0.034606 0.032767 0.012789 2C 1px -0.005312 -0.019629 0.014006 0.024937 0.016004 -0.010375 2C 1py -0.017469 0.022305 -0.047193 0.013834 0.011340 -0.010702 2C 2pz 0.033905 0.004632 0.023535 -0.007871 -0.011975 -0.035353 2C 2px -0.033527 -0.018963 -0.001984 0.041793 0.044256 -0.012846 2C 2py 0.011326 0.001718 -0.012073 0.059358 0.022319 -0.016746 2C 3pz -0.660739 -0.584738 -0.197682 0.456812 0.140976 -0.461957 2C 3px 0.432237 1.370575 -0.379853 -1.381820 0.226967 -1.226247 2C 3py 0.267591 -0.174121 0.819094 -0.390626 0.224080 -0.026240 2C 1dz2 0.005346 0.002744 0.000250 -0.003251 -0.001051 -0.003007 2C 1dxz -0.011204 0.006902 -0.003817 0.000566 0.004283 0.003677 2C 1dyz 0.002299 -0.004844 0.000661 0.006536 -0.002996 0.000771 2C 1dx2y2 -0.000032 -0.011035 -0.000112 0.007524 -0.002181 0.002144 2C 1dxy -0.002686 -0.001045 0.007459 0.002899 0.002363 0.008161 2C 2dz2 0.026814 -0.013724 0.024074 -0.010111 -0.028148 0.003354 2C 2dxz 0.023908 -0.075264 0.048331 0.061232 0.011295 0.032019 2C 2dyz 0.018882 -0.002527 -0.010750 -0.002614 -0.031026 -0.017106 2C 2dx2y2 -0.005684 0.055791 0.006452 -0.037148 0.028017 0.014455 2C 2dxy -0.011703 -0.013596 -0.031580 0.039159 -0.001712 -0.007512 2C 1f0 0.001698 0.004999 0.004140 -0.005836 0.001785 0.002238 2C 1f+1 -0.001173 -0.000357 -0.003778 0.000995 -0.000453 -0.001542 2C 1f-1 0.003040 -0.003948 -0.000266 0.003744 -0.002701 -0.000555 2C 1f+2 0.000684 -0.005429 0.001160 0.003565 -0.000592 0.001753 2C 1f-2 0.002063 -0.001088 0.003682 0.003244 0.003831 0.001430 2C 1f+3 0.002304 -0.003204 0.004528 0.000900 -0.000944 0.003144 2C 1f-3 -0.001736 0.003923 -0.003019 -0.004097 -0.001122 -0.001547 3C 1s -0.004479 -0.002267 -0.000870 0.001621 -0.000548 -0.000483 3C 2s -0.008884 -0.004755 -0.001895 0.003170 -0.000371 -0.001367 3C 3s -0.009812 -0.000994 0.009056 0.000090 -0.015745 0.014915 3C 4s 0.203827 0.064381 -0.009610 -0.046085 0.103882 -0.081099 3C 5s -0.656459 -0.054837 -1.065367 -0.242691 -0.191961 1.642661 3C 1pz -0.009067 -0.007553 0.047944 -0.013109 0.010936 0.004662 3C 1px 0.002248 -0.022000 0.015716 0.003150 -0.004896 -0.015818 3C 1py -0.030654 0.022703 0.014111 0.005208 -0.002517 -0.043868 3C 2pz -0.031929 -0.017570 -0.002355 0.028521 -0.013321 0.020209 3C 2px 0.005156 -0.043179 0.012558 -0.049178 -0.041930 -0.028728 3C 2py 0.008225 0.015243 0.024636 -0.019323 -0.012097 -0.039061 3C 3pz -0.223113 -0.675838 -0.797333 0.003516 -0.746847 0.191914 3C 3px 0.835736 0.710142 -0.337422 0.474439 1.244609 0.710093 3C 3py 0.177057 0.164728 -0.306149 0.423344 -0.182657 -0.246037 3C 1dz2 0.000523 0.002432 0.004578 0.000962 0.005472 -0.001758 3C 1dxz 0.002095 0.003941 -0.001766 -0.005098 -0.001659 0.004817 3C 1dyz 0.001782 0.000566 0.005015 -0.006169 0.001242 0.004592 3C 1dx2y2 -0.003404 -0.006994 -0.003335 -0.002410 -0.007696 -0.001257 3C 1dxy 0.004026 0.000571 -0.003455 0.007508 0.007194 -0.000529 3C 2dz2 0.005418 0.004034 -0.002598 0.005162 0.009799 0.007900 3C 2dxz -0.024058 -0.020915 0.009302 0.006233 -0.016721 -0.046325 3C 2dyz 0.022769 -0.040204 -0.034029 0.000375 -0.032078 0.020594 3C 2dx2y2 0.013297 0.002287 0.050934 -0.032816 0.017729 -0.003878 3C 2dxy 0.003457 0.017956 0.025367 0.000465 0.036937 0.027858 3C 1f0 0.000410 0.002019 0.006089 -0.002919 0.003995 0.000605 3C 1f+1 0.001135 0.002981 0.001885 -0.002612 0.002781 0.001958 3C 1f-1 0.003749 -0.001481 -0.004612 0.000276 -0.002445 0.002578 3C 1f+2 -0.001086 -0.000862 0.000871 -0.001526 -0.001651 0.001109 3C 1f-2 -0.002159 -0.001331 0.000556 0.001983 -0.001092 0.000652 3C 1f+3 -0.001708 -0.000343 0.003928 -0.000144 0.000282 -0.005244 3C 1f-3 0.000572 -0.003480 -0.001285 0.000991 -0.002169 -0.002335 4C 1s 0.004192 0.015377 -0.005629 0.003843 -0.001085 0.010955 4C 2s 0.007862 0.035841 -0.012561 0.007431 -0.000393 0.022896 4C 3s 0.045275 -0.059852 -0.000046 0.025101 -0.063765 0.007566 4C 4s -0.507010 -0.134469 0.210689 -0.385105 0.501364 -0.539734 4C 5s 0.872006 -1.451430 -0.210154 0.295006 -1.371238 1.477047 4C 1pz -0.036878 -0.035856 -0.030441 -0.010067 -0.013503 -0.052796 4C 1px -0.009312 -0.030149 -0.022117 0.028890 0.026381 -0.006523 4C 1py -0.000477 -0.014745 0.067047 -0.038602 0.063419 0.025714 4C 2pz 0.054316 -0.167635 -0.026181 -0.027543 -0.034211 -0.211943 4C 2px -0.368612 -0.030742 -0.019681 0.181521 -0.004698 0.144975 4C 2py -0.055711 -0.073924 0.171839 -0.065653 0.138408 0.133734 4C 3pz 0.375476 -0.927207 0.878906 -0.506715 0.388907 -1.200404 4C 3px -2.207169 -0.537545 0.612904 1.192311 0.275362 1.961678 4C 3py -0.931937 -0.707772 -0.140711 0.458211 -0.074512 -0.721332 4C 1dz2 -0.002036 0.000018 0.003239 0.002086 0.002761 0.001537 4C 1dxz 0.006599 -0.011045 0.002969 0.002012 -0.009418 -0.004592 4C 1dyz -0.003601 0.009803 -0.002614 -0.002188 0.006811 -0.001661 4C 1dx2y2 -0.002299 0.011924 -0.000139 -0.003520 0.005611 0.000495 4C 1dxy 0.001003 0.007987 -0.002226 -0.002468 -0.000150 -0.004268 4C 2dz2 0.036706 0.017229 -0.009055 -0.043217 0.017384 -0.024901 4C 2dxz -0.096651 0.046523 -0.023384 0.033636 0.012617 0.039473 4C 2dyz -0.042947 0.016997 -0.000730 -0.032612 0.039901 0.017423 4C 2dx2y2 0.003565 -0.039744 0.013203 0.024346 -0.007709 -0.017756 4C 2dxy -0.073365 0.018104 0.025718 0.024595 0.027310 0.039030 4C 1f0 0.003025 -0.003404 -0.000961 0.004442 -0.002811 -0.002113 4C 1f+1 0.000850 0.002877 0.001357 0.001132 -0.002217 0.002795 4C 1f-1 0.004178 -0.000584 0.000415 -0.001164 -0.000511 -0.004023 4C 1f+2 -0.001064 0.001241 0.000190 -0.005386 0.002107 -0.002358 4C 1f-2 -0.006352 0.003244 -0.003640 0.000757 -0.000088 0.000499 4C 1f+3 0.000064 0.001825 0.002322 -0.002942 0.001658 -0.000731 4C 1f-3 0.006248 -0.001788 -0.005148 0.000986 -0.003157 0.000724 5C 1s -0.001920 -0.004835 0.006079 0.002786 -0.007195 -0.003040 5C 2s -0.003046 -0.010230 0.013634 0.005224 -0.014658 -0.004904 5C 3s -0.040655 0.019695 -0.005953 0.021661 -0.015307 -0.061603 5C 4s 0.382853 0.093314 -0.188563 -0.292327 0.433341 0.574801 5C 5s -0.406399 -0.675498 0.263601 0.575168 -0.591246 -1.837396 5C 1pz 0.041483 0.004432 -0.066506 0.027822 -0.010522 0.077361 5C 1px 0.039245 -0.027931 -0.015110 -0.041813 -0.012908 0.005849 5C 1py 0.018554 0.008967 -0.035092 0.022748 -0.044765 0.007767 5C 2pz 0.182449 0.002466 -0.172836 0.153076 -0.000704 0.181103 5C 2px -0.127520 -0.068531 -0.025262 -0.355969 -0.176861 0.073998 5C 2py -0.000239 0.010865 -0.021735 -0.020516 -0.143094 0.085150 5C 3pz 0.109595 0.094732 0.125204 0.168689 1.113660 -0.069470 5C 3px -1.425241 -0.770057 0.104926 -1.852204 -2.066944 0.529370 5C 3py -0.325980 0.384385 1.102343 -0.223036 -0.267688 -1.045737 5C 1dz2 -0.001919 0.000382 0.000505 -0.000730 -0.003755 -0.001367 5C 1dxz -0.003553 -0.000405 -0.000225 0.003896 0.002203 -0.002550 5C 1dyz -0.005802 -0.000695 -0.003952 0.005251 -0.000005 -0.007752 5C 1dx2y2 0.004193 0.002961 0.004760 0.001702 0.006211 0.001343 5C 1dxy 0.001499 -0.002492 0.001091 -0.004748 -0.005352 0.000430 5C 2dz2 -0.006220 0.015621 0.012928 0.026029 0.017159 -0.006013 5C 2dxz -0.000935 0.014383 0.003429 -0.056182 -0.021160 0.023232 5C 2dyz -0.050833 0.015591 0.009409 -0.016524 -0.026222 -0.040285 5C 2dx2y2 -0.031083 -0.023112 -0.024675 -0.039603 -0.040884 0.009696 5C 2dxy 0.010898 -0.000956 -0.018028 0.083604 0.031700 -0.009638 5C 1f0 -0.002175 -0.001342 0.001744 -0.001914 -0.002311 -0.002050 5C 1f+1 -0.002531 0.000288 0.004756 0.003376 -0.002498 -0.002760 5C 1f-1 -0.001814 0.000256 0.002512 -0.003493 0.000095 -0.001496 5C 1f+2 0.000261 -0.000828 -0.002594 0.000215 -0.002043 0.003177 5C 1f-2 0.004684 -0.001865 -0.000770 0.005524 0.003285 0.001020 5C 1f+3 -0.002600 0.002696 -0.000617 0.001975 -0.001305 0.000060 5C 1f-3 0.002870 0.000527 0.002055 -0.004299 0.000291 0.005093 6C 1s 0.001156 -0.004872 0.006182 -0.002989 0.007204 0.003288 6C 2s 0.001400 -0.010169 0.013856 -0.005697 0.014687 0.005471 6C 3s 0.041987 0.013981 -0.006311 -0.021148 0.014351 0.059088 6C 4s -0.358671 0.136820 -0.190801 0.296163 -0.426151 -0.566353 6C 5s 0.337771 -0.709134 0.257092 -0.565177 0.584899 1.839212 6C 1pz 0.039768 -0.008644 0.066850 0.027871 -0.011418 0.077518 6C 1px 0.041569 0.023202 0.015565 -0.042682 -0.013482 0.005801 6C 1py 0.017426 -0.010921 0.035129 0.023279 -0.045222 0.007207 6C 2pz 0.177132 -0.021408 0.176459 0.153016 -0.002640 0.180298 6C 2px -0.120209 0.076836 0.019456 -0.358969 -0.177749 0.073711 6C 2py 0.000896 -0.011648 0.020793 -0.018993 -0.143008 0.085741 6C 3pz 0.087675 -0.088189 -0.118282 0.161091 1.112455 -0.096516 6C 3px -1.350905 0.900671 -0.157576 -1.887198 -2.072281 0.574387 6C 3py -0.327332 -0.363696 -1.111403 -0.192160 -0.253955 -1.031899 6C 1dz2 0.002021 0.000066 0.000502 0.000847 0.003729 0.001165 6C 1dxz 0.003568 -0.000892 -0.000240 -0.003887 -0.002207 0.002544 6C 1dyz 0.005833 -0.001462 -0.003999 -0.005121 -0.000084 0.007556 6C 1dx2y2 -0.003983 0.003497 0.004718 -0.001934 -0.006216 -0.001040 6C 1dxy -0.001796 -0.002246 0.001136 0.004834 0.005356 -0.000585 6C 2dz2 0.007174 0.014465 0.012107 -0.026514 -0.018099 0.004377 6C 2dxz 0.001244 0.014442 0.003740 0.055683 0.020993 -0.024359 6C 2dyz 0.051198 0.009319 0.009855 0.016527 0.025655 0.038824 6C 2dx2y2 0.029974 -0.025614 -0.023687 0.040725 0.041266 -0.007209 6C 2dxy -0.010035 -0.001671 -0.019727 -0.083856 -0.031387 0.009540 6C 1f0 -0.001941 0.001548 -0.001786 -0.001897 -0.002288 -0.001999 6C 1f+1 -0.002424 0.000067 -0.004781 0.003393 -0.002412 -0.002519 6C 1f-1 -0.001792 -0.000093 -0.002589 -0.003493 0.000128 -0.001514 6C 1f+2 0.000306 0.000777 0.002546 0.000217 -0.002057 0.003253 6C 1f-2 0.004723 0.001372 0.000874 0.005516 0.003200 0.000888 6C 1f+3 -0.002754 -0.002276 0.000663 0.002015 -0.001243 0.000365 6C 1f-3 0.002742 -0.000951 -0.002117 -0.004289 0.000245 0.004876 7C 1s -0.002249 0.015775 -0.005876 -0.003687 0.001009 -0.011106 7C 2s -0.003378 0.036562 -0.013109 -0.007099 0.000216 -0.023267 7C 3s -0.051143 -0.054386 0.000490 -0.024483 0.064465 -0.004220 7C 4s 0.477123 -0.190907 0.218062 0.373843 -0.503316 0.521534 7C 5s -1.024455 -1.339913 -0.202555 -0.264793 1.372730 -1.467765 7C 1pz -0.033545 0.039056 0.029855 -0.010433 -0.013840 -0.052289 7C 1px -0.006209 0.031336 0.022374 0.028515 0.025924 -0.006616 7C 1py 0.002227 0.015469 -0.066758 -0.037964 0.063586 0.025922 7C 2pz 0.073756 0.159368 0.027125 -0.026907 -0.035385 -0.211573 7C 2px -0.363521 0.072235 0.015341 0.181678 -0.004580 0.146482 7C 2py -0.042832 0.082356 -0.171905 -0.063187 0.138491 0.134326 7C 3pz 0.485877 0.883219 -0.877778 -0.492320 0.398569 -1.192983 7C 3px -2.120561 0.789524 -0.650867 1.199199 0.284769 2.029626 7C 3py -0.843603 0.822260 0.123549 0.470646 -0.078505 -0.687662 7C 1dz2 0.002030 -0.000188 0.003260 -0.002128 -0.002792 -0.001625 7C 1dxz -0.007826 -0.010231 0.002996 -0.001983 0.009450 0.004841 7C 1dyz 0.004662 0.009308 -0.002674 0.002110 -0.006826 0.001439 7C 1dx2y2 0.003590 0.011716 -0.000228 0.003579 -0.005715 -0.000576 7C 1dxy -0.000157 0.008082 -0.002327 0.002423 0.000104 0.004221 7C 2dz2 -0.034222 0.021808 -0.009623 0.043368 -0.017390 0.024868 7C 2dxz 0.102822 0.035699 -0.022514 -0.033327 -0.012506 -0.038245 7C 2dyz 0.044608 0.012428 -0.001274 0.032423 -0.040050 -0.019216 7C 2dx2y2 -0.009203 -0.039793 0.012933 -0.024927 0.007441 0.016730 7C 2dxy 0.074548 0.009324 0.026369 -0.025756 -0.027732 -0.040137 7C 1f0 0.003335 0.003030 0.001024 0.004367 -0.002867 -0.002245 7C 1f+1 0.000386 -0.002939 -0.001373 0.001098 -0.002210 0.002572 7C 1f-1 0.004286 0.000125 -0.000416 -0.001133 -0.000514 -0.004109 7C 1f+2 -0.001113 -0.001130 -0.000209 -0.005321 0.002169 -0.002041 7C 1f-2 -0.006765 -0.002582 0.003564 0.000713 -0.000093 0.000485 7C 1f+3 -0.000104 -0.001901 -0.002274 -0.002976 0.001673 -0.000668 7C 1f-3 0.006241 0.001027 0.005206 0.000887 -0.003245 0.000588 8C 1s 0.004304 -0.002895 -0.000878 -0.001507 0.000472 0.000207 8C 2s 0.008517 -0.006004 -0.001927 -0.002921 0.000200 0.000797 8C 3s 0.009748 -0.002225 0.009411 -0.000268 0.015933 -0.015572 8C 4s -0.199417 0.093077 -0.011355 0.042895 -0.102282 0.095843 8C 5s 0.696708 -0.167162 -1.050780 0.283638 0.205901 -1.668467 8C 1pz -0.007324 0.008372 -0.048609 -0.012756 0.011052 0.003951 8C 1px 0.004750 0.020830 -0.015986 0.003090 -0.004839 -0.015734 8C 1py -0.032876 -0.018654 -0.014298 0.004780 -0.001993 -0.042833 8C 2pz -0.030258 0.021694 0.000817 0.028108 -0.013617 0.019060 8C 2px 0.010034 0.040943 -0.013325 -0.049870 -0.041530 -0.027707 8C 2py 0.007333 -0.016411 -0.025396 -0.019535 -0.011805 -0.037475 8C 3pz -0.167467 0.691570 0.796756 -0.020583 -0.751259 0.213940 8C 3px 0.764336 -0.781178 0.360730 0.489596 1.249061 0.694060 8C 3py 0.164972 -0.187869 0.315773 0.431819 -0.178444 -0.240622 8C 1dz2 -0.000389 0.002508 0.004550 -0.001030 -0.005542 0.001794 8C 1dxz -0.001754 0.004063 -0.001884 0.005014 0.001729 -0.004932 8C 1dyz -0.001851 0.000816 0.004988 0.006125 -0.001265 -0.004661 8C 1dx2y2 0.002748 -0.007263 -0.003182 0.002600 0.007720 0.001076 8C 1dxy -0.003906 0.000829 -0.003704 -0.007608 -0.007155 0.000653 8C 2dz2 -0.004665 0.004112 -0.002557 -0.005494 -0.009646 -0.007375 8C 2dxz 0.022538 -0.023059 0.010257 -0.005135 0.016372 0.046351 8C 2dyz -0.025860 -0.036746 -0.033497 0.000480 0.032753 -0.020223 8C 2dx2y2 -0.014132 0.004270 0.050837 0.032309 -0.017584 0.004344 8C 2dxy -0.002186 0.018402 0.025770 -0.001331 -0.037302 -0.027117 8C 1f0 0.000314 -0.002119 -0.006108 -0.002885 0.004037 0.000520 8C 1f+1 0.000854 -0.003016 -0.001771 -0.002496 0.002729 0.001940 8C 1f-1 0.003839 0.001052 0.004660 0.000273 -0.002532 0.002522 8C 1f+2 -0.000996 0.001021 -0.000802 -0.001569 -0.001665 0.001288 8C 1f-2 -0.002112 0.001556 -0.000668 0.001928 -0.001068 0.000733 8C 1f+3 -0.001659 0.000466 -0.003976 -0.000225 0.000328 -0.005259 8C 1f-3 0.000818 0.003345 0.001175 0.000913 -0.002198 -0.002447 9C 1s -0.002631 -0.008512 0.001489 -0.000899 0.004821 0.002777 9C 2s -0.005877 -0.018541 0.003272 -0.001901 0.009745 0.006560 9C 3s 0.019312 0.015069 -0.006283 0.009739 0.006396 -0.020841 9C 4s -0.035322 0.211283 -0.029928 -0.033389 -0.203882 0.008607 9C 5s 0.625147 -1.249643 1.011757 -0.160349 -0.051493 1.350184 9C 1pz -0.015181 -0.045698 -0.012363 -0.034624 0.033144 0.014242 9C 1px -0.002399 0.019908 -0.014147 0.024637 0.016015 -0.009611 9C 1py -0.020989 -0.020382 0.047829 0.013157 0.011407 -0.010190 9C 2pz 0.033824 -0.007827 -0.023005 -0.006811 -0.011646 -0.034465 9C 2px -0.030709 0.022652 0.000785 0.040318 0.043755 -0.011836 9C 2py 0.010878 -0.002993 0.014344 0.058511 0.021880 -0.017846 9C 3pz -0.583730 0.673392 0.192407 0.464979 0.127674 -0.437873 9C 3px 0.256467 -1.417146 0.400359 -1.378130 0.229379 -1.254848 9C 3py 0.277197 0.122415 -0.821036 -0.395678 0.246537 -0.042321 9C 1dz2 -0.005060 0.003250 0.000222 0.003173 0.001065 0.003072 9C 1dxz 0.011944 0.005666 -0.003707 -0.000484 -0.004281 -0.003917 9C 1dyz -0.002893 -0.004534 0.000502 -0.006596 0.003027 -0.000717 9C 1dx2y2 -0.001217 -0.011013 -0.000352 -0.007492 0.002283 -0.002115 9C 1dxy 0.002505 -0.001557 0.007535 -0.003173 -0.002426 -0.008245 9C 2dz2 -0.028175 -0.010069 0.024098 0.010265 0.027969 -0.001911 9C 2dxz -0.033311 -0.072899 0.047940 -0.062182 -0.011123 -0.031786 9C 2dyz -0.019619 -0.000847 -0.009403 0.002864 0.031160 0.018204 9C 2dx2y2 0.012019 0.055742 0.007570 0.038097 -0.028970 -0.015137 9C 2dxy 0.010175 -0.014634 -0.031198 -0.038393 0.001804 0.006765 9C 1f0 0.001159 -0.005226 -0.004241 -0.005833 0.001906 0.002199 9C 1f+1 -0.001207 0.000332 0.003688 0.000789 -0.000416 -0.001512 9C 1f-1 0.003494 0.003566 0.000433 0.003702 -0.002778 -0.000697 9C 1f+2 0.001215 0.005323 -0.001057 0.003506 -0.000712 0.001769 9C 1f-2 0.002314 0.001010 -0.003535 0.003411 0.003794 0.001375 9C 1f+3 0.002734 0.003036 -0.004689 0.001030 -0.000882 0.003074 9C 1f-3 -0.002178 -0.003636 0.002772 -0.004179 -0.001190 -0.001437 10H 1s 0.029522 -0.034806 0.001260 0.007473 -0.021217 -0.016073 10H 2s 0.189961 -0.475284 0.067286 0.292714 -0.172725 0.002033 10H 3s -0.236107 -0.602746 -0.021243 0.505278 0.054896 0.585697 10H 1pz -0.005609 -0.017493 -0.000821 0.016877 -0.000690 0.003707 10H 1px -0.013712 0.022543 -0.007070 -0.013588 0.010847 0.002614 10H 1py 0.001136 -0.007668 0.012348 0.005437 0.003208 0.008771 11H 1s -0.019464 0.012150 -0.016886 -0.009180 0.010510 -0.008247 11H 2s -0.170898 0.164204 -0.334133 -0.112416 -0.006974 -0.172140 11H 3s -0.068839 0.566311 -0.185468 -0.324607 0.380556 -0.354827 11H 1pz -0.004560 -0.003441 -0.020341 0.003149 -0.010510 -0.009692 11H 1px -0.007839 0.018020 -0.014245 -0.012793 -0.002156 -0.005612 11H 1py 0.006543 0.003568 0.006479 -0.005388 0.002448 -0.003223 12H 1s -0.009526 0.009133 0.013125 -0.004534 0.011952 0.007958 12H 2s 0.038941 0.168223 0.223059 -0.199156 0.112787 0.123996 12H 3s 0.204508 0.427661 -0.067759 -0.410888 0.154621 -0.297851 12H 1pz 0.005949 0.000872 -0.001400 -0.006899 0.000428 -0.005470 12H 1px -0.002294 0.019642 -0.000550 -0.017470 0.004446 -0.002037 12H 1py 0.004832 0.000735 0.019624 -0.008287 0.002096 0.013937 13H 1s -0.006467 -0.012389 -0.005887 0.030432 0.012371 -0.015398 13H 2s -0.128487 -0.214159 -0.080729 0.236594 -0.088373 -0.209683 13H 3s -0.248342 -0.607395 0.133807 -0.373811 -0.524137 -0.295703 13H 1pz -0.004297 -0.010946 -0.014448 0.010570 -0.011981 -0.004195 13H 1px 0.005167 0.001172 0.000875 -0.013337 -0.001777 0.010570 13H 1py 0.005644 0.008084 -0.003965 0.002928 0.010115 0.001860 14H 1s -0.000132 -0.009790 -0.010453 -0.015309 -0.015381 0.008200 14H 2s 0.086346 -0.010214 -0.208014 -0.056932 -0.084431 0.162010 14H 3s 0.356927 0.091637 0.018094 0.214145 0.536767 0.027319 14H 1pz -0.001679 -0.007398 -0.016303 0.003501 -0.011163 0.004259 14H 1px 0.005444 0.007048 -0.009796 -0.004619 -0.001846 0.014338 14H 1py -0.007360 -0.003058 -0.000713 -0.005801 -0.012404 -0.004727 15H 1s 0.005333 0.004018 0.019083 -0.013462 0.011248 0.014257 15H 2s -0.010987 0.128753 0.354667 -0.148771 0.212366 0.011331 15H 3s 0.445552 0.125721 0.156942 -0.054812 0.428691 0.170726 15H 1pz 0.004262 -0.007305 -0.012062 0.006907 -0.001804 -0.002487 15H 1px 0.003021 0.008187 0.005104 -0.004415 0.007451 0.004438 15H 1py 0.009778 -0.005010 -0.024075 0.005371 -0.009745 0.011294 16H 1s 0.010119 0.009530 0.000758 0.017542 -0.033417 0.010606 16H 2s 0.129750 0.052982 0.034621 0.324484 -0.151397 0.022273 16H 3s -0.267902 -0.077350 -0.072165 -0.374030 -0.308084 0.324221 16H 1pz 0.009278 0.002478 0.004909 0.028070 -0.000483 -0.003122 16H 1px 0.000824 0.005365 -0.001891 -0.006540 -0.013398 0.005985 16H 1py 0.003457 0.000927 0.000869 0.008189 -0.002735 0.000052 17H 1s -0.001618 -0.020933 -0.000271 -0.023888 0.028653 0.014208 17H 2s 0.107871 -0.069870 -0.035240 -0.211262 0.233303 -0.049686 17H 3s -0.444154 -0.321825 0.061797 -0.063010 -0.073388 0.467511 17H 1pz -0.006236 0.001951 0.002949 0.010322 -0.012022 0.001205 17H 1px -0.013647 -0.009084 0.005031 0.006687 -0.000892 0.018692 17H 1py 0.004881 -0.000010 -0.002032 -0.005474 0.008037 -0.003550 18H 1s 0.000038 -0.020942 -0.000092 0.024056 -0.028723 -0.012690 18H 2s -0.106172 -0.058072 -0.034521 0.209279 -0.235280 0.060547 18H 3s 0.406149 -0.369335 0.069607 0.069386 0.073017 -0.471134 18H 1pz -0.006124 -0.001196 -0.003129 0.010637 -0.012188 0.002116 18H 1px -0.012132 0.010512 -0.005132 0.006432 -0.000952 0.018789 18H 1py 0.004265 -0.000300 0.001898 -0.004931 0.007982 -0.003553 19H 1s -0.009421 0.010289 0.000822 -0.017426 0.032951 -0.012235 19H 2s -0.128124 0.062512 0.033184 -0.327802 0.145794 -0.037733 19H 3s 0.263903 -0.104052 -0.062972 0.381010 0.308058 -0.321913 19H 1pz 0.009382 -0.003244 -0.004648 0.028132 -0.000161 -0.002212 19H 1px 0.000137 -0.005478 0.001849 -0.007021 -0.013356 0.006216 19H 1py 0.003610 -0.001254 -0.001014 0.009087 -0.002560 0.000488 20H 1s -0.005113 0.004599 0.019078 0.013376 -0.011203 -0.014050 20H 2s 0.018774 0.126954 0.354143 0.145044 -0.214914 -0.009439 20H 3s -0.438453 0.180116 0.153995 0.041788 -0.430465 -0.153115 20H 1pz 0.004895 0.006692 0.012114 0.006853 -0.001797 -0.002554 20H 1px 0.002357 -0.008420 -0.005129 -0.004241 0.007636 0.004506 20H 1py 0.009922 0.003816 0.024072 0.005207 -0.009957 0.011195 21H 1s -0.000998 -0.009681 -0.010391 0.015507 0.015256 -0.008988 21H 2s -0.087258 -0.002163 -0.210970 0.056736 0.084273 -0.168357 21H 3s -0.353335 0.131235 0.007104 -0.218498 -0.538127 -0.017827 21H 1pz -0.001174 0.007543 0.016383 0.003240 -0.011303 0.004607 21H 1px 0.004742 -0.007460 0.009899 -0.004460 -0.001763 0.014636 21H 1py -0.007023 0.003721 0.000463 -0.006001 -0.012339 -0.004342 22H 1s 0.005467 -0.013261 -0.006068 -0.030378 -0.012456 0.015760 22H 2s 0.110961 -0.225838 -0.078863 -0.231995 0.088206 0.210133 22H 3s 0.184399 -0.619409 0.141396 0.385742 0.527009 0.291838 22H 1pz -0.003528 0.011300 0.014356 0.010100 -0.012068 -0.003866 22H 1px 0.005254 -0.001838 -0.000932 -0.013336 -0.001777 0.010687 22H 1py 0.004941 -0.008488 0.004220 0.003085 0.010127 0.001780 23H 1s 0.010575 0.008402 0.013420 0.004884 -0.012301 -0.007628 23H 2s -0.018763 0.175531 0.226222 0.201203 -0.117849 -0.118383 23H 3s -0.140708 0.459372 -0.075840 0.414583 -0.166786 0.308068 23H 1pz 0.005730 -0.001347 0.001554 -0.006766 0.000391 -0.005492 23H 1px -0.004691 -0.019317 0.000575 -0.017459 0.004499 -0.002278 23H 1py 0.004784 -0.001632 -0.019855 -0.008470 0.002349 0.013707 24H 1s 0.021096 0.009505 -0.016721 0.009078 -0.010285 0.007476 24H 2s 0.193062 0.142264 -0.331342 0.115721 0.010183 0.167869 24H 3s 0.125685 0.556826 -0.198451 0.330229 -0.375325 0.361878 24H 1pz -0.004351 0.004128 0.020030 0.002966 -0.010696 -0.009618 24H 1px -0.010319 -0.017006 0.014112 -0.012905 -0.002236 -0.005603 24H 1py 0.006085 -0.004740 -0.006082 -0.005687 0.002523 -0.003742 25H 1s -0.033396 -0.031237 0.000872 -0.007206 0.021389 0.016723 25H 2s -0.245754 -0.451964 0.063222 -0.292047 0.175362 0.000673 25H 3s 0.161545 -0.631126 -0.016027 -0.499405 -0.052173 -0.598550 25H 1pz -0.003321 0.018345 0.000900 0.017063 -0.000989 0.003967 25H 1px -0.016389 -0.020934 0.007000 -0.013736 0.010913 0.002754 25H 1py 0.001796 0.007186 -0.012254 0.005392 0.003479 0.008843 26O 1s -0.011197 -0.010601 0.004363 0.004548 0.008580 0.000542 26O 2s -0.029040 -0.026628 0.010776 0.012054 0.021499 0.002109 26O 3s 0.070113 0.054858 -0.018504 -0.033571 -0.042889 -0.014627 26O 4s -0.081041 0.004926 -0.018304 0.048912 -0.012523 0.063205 26O 5s 1.719103 0.871766 -0.407410 -0.862820 -0.445319 -0.739888 26O 1pz -0.038700 -0.005160 -0.012091 0.023942 -0.000606 0.062537 26O 1px 0.008052 -0.064652 0.001798 -0.006637 -0.017806 -0.004287 26O 1py -0.022696 -0.005256 0.040822 0.034165 -0.009699 0.011645 26O 2pz -0.032571 -0.038297 0.009770 0.028778 0.018649 0.039763 26O 2px -0.043477 -0.063802 0.020773 0.014839 0.006142 0.010101 26O 2py -0.051490 -0.029775 0.036211 0.061546 0.006037 -0.003382 26O 3pz -0.100530 0.170682 -0.114862 0.024004 -0.244142 0.374113 26O 3px -0.596491 -0.300414 0.123456 0.025711 -0.002949 0.173280 26O 3py -0.242627 0.015974 0.111723 -0.016898 -0.154423 0.277550 26O 1dz2 0.001508 0.002104 0.000314 0.000090 -0.000820 -0.000919 26O 1dxz 0.000811 0.000545 0.000464 0.000760 -0.000313 0.000795 26O 1dyz 0.000193 0.000481 -0.000005 -0.000490 0.001868 0.000422 26O 1dx2y2 -0.003027 -0.000479 0.001961 -0.000835 0.001968 -0.001118 26O 1dxy -0.001770 -0.001472 -0.000356 0.000350 0.000785 -0.001166 26O 2dz2 -0.018552 0.007198 0.009660 0.002822 0.002895 0.012362 26O 2dxz 0.004325 0.002036 -0.000396 -0.008132 -0.001041 -0.000702 26O 2dyz -0.002688 0.013582 -0.007756 -0.006173 0.003685 0.001840 26O 2dx2y2 0.029926 0.000041 -0.002892 -0.002629 0.000715 -0.018545 26O 2dxy 0.028460 0.001500 -0.002077 -0.011168 0.002521 -0.012385 26O 1f0 0.000352 0.000830 -0.000541 -0.000404 0.000312 -0.000148 26O 1f+1 0.001905 -0.000427 -0.000740 -0.000199 -0.000799 -0.000137 26O 1f-1 0.000585 0.000649 -0.000629 -0.000810 -0.000874 0.000145 26O 1f+2 -0.000614 -0.000567 -0.000365 0.000672 0.000540 -0.000376 26O 1f-2 0.000041 -0.001518 0.000195 0.000375 -0.001360 0.000191 26O 1f+3 0.001215 -0.000155 0.000323 0.000012 -0.000339 -0.000551 26O 1f-3 0.002099 0.000653 -0.000265 -0.000397 -0.000106 -0.000779 27O 1s -0.001155 -0.003181 -0.003630 -0.011466 -0.004504 0.006577 27O 2s -0.003581 -0.008254 -0.008708 -0.028952 -0.012521 0.016463 27O 3s 0.018100 0.020509 0.011640 0.059070 0.042934 -0.032441 27O 4s -0.068190 -0.024221 0.033779 -0.009786 -0.090750 -0.008323 27O 5s 0.695482 0.560620 0.197084 1.333246 1.129177 -0.460255 27O 1pz -0.008211 -0.025910 -0.031067 -0.018310 -0.024374 -0.034236 27O 1px -0.028159 -0.003283 -0.020768 -0.002238 -0.009501 -0.002461 27O 1py 0.001391 -0.005652 -0.017189 0.032266 0.066074 0.026095 27O 2pz -0.001249 -0.032497 -0.027378 -0.014724 -0.016495 -0.037755 27O 2px -0.031122 -0.016047 -0.028872 -0.048613 -0.029149 0.017038 27O 2py -0.021655 0.009624 0.012203 0.022169 0.054991 0.008986 27O 3pz -0.099569 -0.005258 0.028729 0.040299 -0.100290 -0.118795 27O 3px -0.271354 -0.118089 -0.083059 -0.493818 -0.214449 0.161240 27O 3py 0.240464 -0.046945 -0.208901 0.203123 0.286466 0.139830 27O 1dz2 -0.000418 0.000755 0.000813 0.002219 -0.002147 0.000065 27O 1dxz -0.001364 -0.000122 0.001879 0.000547 -0.000719 -0.001767 27O 1dyz -0.000867 -0.000639 0.000048 0.000640 -0.000206 -0.001194 27O 1dx2y2 0.001567 0.000015 0.000248 -0.003359 0.000477 0.000690 27O 1dxy -0.000275 0.000757 0.000159 0.001521 0.000340 -0.000763 27O 2dz2 -0.013524 -0.005274 0.006267 -0.017950 -0.010574 0.008274 27O 2dxz -0.001287 0.001129 -0.000284 -0.005181 -0.003819 0.005200 27O 2dyz -0.003759 -0.004668 -0.007115 0.007976 -0.000013 -0.004352 27O 2dx2y2 0.012974 0.004089 0.003297 0.025838 0.016858 -0.012307 27O 2dxy -0.008369 -0.001298 -0.003373 -0.006861 -0.008848 0.001575 27O 1f0 0.000122 -0.000127 0.000052 -0.000712 -0.000143 0.000409 27O 1f+1 0.000492 0.000096 -0.000290 0.001355 0.000493 -0.000752 27O 1f-1 -0.000412 -0.000114 0.000394 -0.000256 -0.000007 -0.000287 27O 1f+2 0.000130 -0.000558 -0.000483 0.000392 -0.000005 -0.000245 27O 1f-2 0.000486 0.000243 0.000393 -0.000762 0.000120 0.000719 27O 1f+3 0.000088 0.000262 0.000705 0.001566 0.000242 -0.000938 27O 1f-3 -0.001096 -0.000572 -0.000390 -0.001045 -0.000466 0.000128 28O 1s 0.004684 -0.008436 0.003204 -0.002961 0.000368 -0.011819 28O 2s 0.012647 -0.020120 0.007695 -0.008568 0.000763 -0.030399 28O 3s -0.036555 0.023916 -0.010127 0.032695 0.000293 0.071504 28O 4s 0.059117 0.109789 -0.028717 -0.114358 0.010674 -0.056477 28O 5s -1.209551 0.423101 -0.193907 0.979321 -0.054096 1.458834 28O 1pz 0.050545 -0.069942 -0.020778 -0.012028 -0.065704 -0.007368 28O 1px 0.011901 0.043886 -0.025371 -0.027156 -0.003584 0.029752 28O 1py 0.040974 -0.033583 0.044908 -0.022032 -0.045051 -0.014265 28O 2pz 0.050002 -0.074442 -0.005065 -0.031044 -0.039507 -0.031200 28O 2px -0.034340 0.048976 -0.029654 -0.002278 -0.004012 0.059279 28O 2py 0.023059 -0.020526 0.061512 -0.035844 -0.028418 -0.009137 28O 3pz 0.513742 -0.286620 -0.092602 -0.130109 -0.223448 -0.250307 28O 3px -0.159564 0.349339 -0.156147 0.178379 -0.114528 0.384279 28O 3py 0.268708 -0.111232 -0.057865 0.025308 -0.176537 -0.045616 28O 1dz2 0.000080 0.000363 0.000534 0.000273 -0.000622 -0.001008 28O 1dxz -0.000177 0.000668 -0.000319 0.003531 -0.000753 0.001794 28O 1dyz -0.000430 0.000604 -0.000312 0.000232 0.000296 -0.000422 28O 1dx2y2 -0.001165 -0.002057 0.000973 -0.001664 0.000602 -0.002422 28O 1dxy -0.001014 -0.000560 0.001257 -0.000206 0.001215 0.000820 28O 2dz2 0.000247 0.001138 0.003890 0.005437 -0.001086 0.000382 28O 2dxz 0.033167 -0.014450 0.004162 -0.007786 0.003251 -0.020700 28O 2dyz -0.004168 0.007314 -0.005916 0.004612 -0.003657 0.000724 28O 2dx2y2 -0.018016 0.010324 0.003304 0.003471 -0.001451 0.010315 28O 2dxy 0.002377 0.000336 -0.001509 -0.003790 0.000213 -0.003765 28O 1f0 -0.000676 -0.000128 -0.001046 0.000499 -0.000672 0.000742 28O 1f+1 -0.000578 0.000753 0.000035 0.000732 -0.000096 0.000716 28O 1f-1 0.000516 -0.000840 -0.000063 0.000461 -0.000612 0.000301 28O 1f+2 0.001172 -0.000403 0.000031 -0.001095 0.000776 -0.001635 28O 1f-2 -0.000450 0.000971 -0.000768 0.000232 -0.000151 0.000254 28O 1f+3 0.000634 -0.000352 -0.000217 -0.000366 0.000311 -0.000316 28O 1f-3 -0.000315 -0.000338 -0.000086 0.000665 -0.000509 0.000582 29O 1s 0.008308 -0.002697 0.000346 -0.000821 0.002276 0.001200 29O 2s 0.019779 -0.006859 0.000776 -0.002084 0.005236 0.003410 29O 3s -0.024102 0.015262 -0.000367 0.005736 -0.002975 -0.014628 29O 4s -0.078361 0.006057 -0.008239 0.014089 -0.037077 0.025192 29O 5s -0.206950 0.102454 0.012744 -0.074048 -0.023711 -0.069366 29O 1pz -0.002291 0.005271 -0.011071 -0.011058 -0.022778 0.005331 29O 1px 0.026684 0.009139 -0.003043 0.004633 0.015949 -0.043962 29O 1py -0.066862 -0.025582 0.001626 -0.021466 -0.007997 -0.018772 29O 2pz 0.010686 0.001585 -0.003690 0.023407 -0.035320 0.007451 29O 2px -0.015112 0.012068 -0.000601 0.007148 0.001320 -0.045847 29O 2py -0.079878 -0.030128 0.000565 -0.025428 -0.006990 -0.041426 29O 3pz -0.052216 0.073639 0.011062 0.217094 -0.187387 0.071508 29O 3px 0.244280 0.011208 0.007216 0.130088 0.003658 -0.045900 29O 3py 0.108992 -0.019298 -0.001432 0.026586 0.051640 0.053633 29O 1dz2 0.000179 0.001273 0.000448 0.003316 -0.002807 0.000112 29O 1dxz -0.000440 -0.001168 -0.000523 -0.002071 0.002936 -0.000265 29O 1dyz 0.000630 0.001336 0.000618 0.005058 -0.003299 0.000931 29O 1dx2y2 -0.000091 -0.001262 -0.000122 -0.001349 0.001006 0.000152 29O 1dxy -0.001305 0.000239 0.000367 0.001634 -0.001670 -0.000188 29O 2dz2 -0.001289 0.001806 -0.002283 -0.011011 -0.006527 0.002162 29O 2dxz -0.004061 -0.003770 0.002941 0.008180 0.006578 0.003214 29O 2dyz 0.001571 0.000017 -0.002270 -0.015356 0.004556 0.000597 29O 2dx2y2 -0.007047 -0.006221 0.001033 -0.002285 0.001457 0.010435 29O 2dxy 0.000596 0.003673 -0.001595 -0.000804 0.005703 -0.017770 29O 1f0 0.000993 0.000081 0.000027 0.001169 0.000117 -0.000318 29O 1f+1 -0.000511 -0.000132 0.000182 0.000411 0.000045 0.000080 29O 1f-1 0.000927 -0.000077 0.000242 0.001964 0.000627 -0.001118 29O 1f+2 -0.000161 0.000366 -0.000212 -0.000610 -0.000625 -0.000042 29O 1f-2 0.000959 0.000170 -0.000422 -0.001267 0.000757 -0.001414 29O 1f+3 -0.000310 -0.000069 0.000174 0.000359 -0.000119 0.000941 29O 1f-3 -0.000245 -0.000094 0.000184 0.000691 -0.000257 0.000146 30O 1s 0.001469 0.006448 -0.004543 0.006809 0.009579 0.004790 30O 2s 0.004343 0.016851 -0.011240 0.017115 0.025393 0.012106 30O 3s -0.017340 -0.044912 0.019760 -0.032386 -0.070713 -0.026295 30O 4s 0.081995 0.045446 0.017880 -0.011795 0.115240 0.021997 30O 5s -0.834391 -0.426018 0.405093 -1.016217 -1.474646 -0.336350 30O 1pz -0.008145 0.005818 -0.055855 0.044797 0.039294 -0.030815 30O 1px 0.009622 -0.000990 -0.000504 0.027960 0.014982 -0.004760 30O 1py 0.011593 0.012027 -0.014660 -0.041779 -0.011782 0.034562 30O 2pz 0.010299 0.012922 -0.073477 0.050673 0.053807 -0.001024 30O 2px -0.009238 -0.008309 0.000493 -0.013498 -0.015513 0.000159 30O 2py -0.004787 0.009138 0.000707 -0.043008 -0.022159 0.002218 30O 3pz 0.157208 -0.049771 -0.072365 0.333937 0.210140 -0.229174 30O 3px -0.254867 0.036779 0.166790 -0.129524 -0.229360 -0.181621 30O 3py -0.160513 0.073164 -0.024851 -0.402924 -0.204668 0.358289 30O 1dz2 -0.000727 -0.000521 0.001527 -0.000108 -0.001234 -0.001224 30O 1dxz -0.000335 -0.000181 0.000204 -0.001020 -0.002117 -0.000069 30O 1dyz -0.000365 -0.000205 -0.000027 -0.001217 -0.000549 -0.001846 30O 1dx2y2 0.001630 -0.000872 -0.000394 -0.000349 -0.000040 0.001559 30O 1dxy 0.001211 0.000412 -0.000689 0.001988 0.001539 0.001300 30O 2dz2 0.003828 -0.001626 0.002496 0.002322 0.003317 -0.001563 30O 2dxz 0.014770 0.001886 -0.000451 0.017512 0.013002 -0.002769 30O 2dyz 0.010353 -0.003558 -0.009149 0.010348 0.007940 0.000250 30O 2dx2y2 -0.007788 0.002657 0.004942 -0.012262 -0.001631 0.010451 30O 2dxy -0.011968 0.004395 0.004742 -0.022774 -0.011295 0.005618 30O 1f0 -0.000852 0.000079 -0.000274 -0.000710 -0.000340 0.000518 30O 1f+1 -0.000565 -0.000373 0.000255 -0.000312 -0.000320 -0.000398 30O 1f-1 -0.000093 0.000114 0.001073 -0.000373 0.000393 0.000314 30O 1f+2 0.000803 0.000423 -0.000148 0.000466 0.000740 0.001001 30O 1f-2 0.001191 -0.000290 -0.000608 0.001357 0.001043 0.000377 30O 1f+3 -0.000140 0.000056 0.000014 0.000031 -0.000375 -0.000911 30O 1f-3 0.001111 0.000303 -0.000487 0.000728 0.001325 0.000526 31O 1s -0.000613 0.006402 -0.004654 -0.006838 -0.009629 -0.004877 31O 2s -0.002137 0.016795 -0.011547 -0.017210 -0.025521 -0.012295 31O 3s 0.011983 -0.045535 0.020750 0.032935 0.071069 0.026333 31O 4s -0.078044 0.053482 0.015312 0.009917 -0.115303 -0.019110 31O 5s 0.766298 -0.494032 0.435722 1.021949 1.472567 0.311055 31O 1pz -0.009957 -0.003916 0.057055 0.044210 0.039212 -0.030713 31O 1px 0.009859 -0.000188 0.000811 0.028625 0.014712 -0.005917 31O 1py 0.010537 -0.014091 0.014357 -0.041826 -0.011771 0.034975 31O 2pz 0.006962 -0.012927 0.074988 0.050192 0.053523 -0.001308 31O 2px -0.007713 0.008731 -0.000977 -0.013233 -0.015739 -0.000137 31O 2py -0.004584 -0.009410 -0.000732 -0.042889 -0.021901 0.002624 31O 3pz 0.158034 0.037560 0.080859 0.331398 0.208318 -0.233653 31O 3px -0.247511 -0.012625 -0.171826 -0.124072 -0.225738 -0.179935 31O 3py -0.166037 -0.059921 0.015293 -0.402535 -0.203314 0.369177 31O 1dz2 0.000617 -0.000604 0.001542 0.000074 0.001224 0.001245 31O 1dxz 0.000288 -0.000187 0.000229 0.001001 0.002107 0.000083 31O 1dyz 0.000322 -0.000239 -0.000028 0.001224 0.000540 0.001835 31O 1dx2y2 -0.001680 -0.000687 -0.000399 0.000382 0.000076 -0.001563 31O 1dxy -0.001130 0.000527 -0.000736 -0.001990 -0.001537 -0.001282 31O 2dz2 -0.003896 -0.001189 0.002391 -0.002312 -0.003312 0.001628 31O 2dxz -0.014157 0.003276 -0.000949 -0.017598 -0.012882 0.003263 31O 2dyz -0.010270 -0.002644 -0.009490 -0.010248 -0.007827 -0.000127 31O 2dx2y2 0.007899 0.001812 0.005099 0.012271 0.001576 -0.010557 31O 2dxy 0.012052 0.003256 0.005157 0.022760 0.011119 -0.006230 31O 1f0 -0.000843 0.000008 0.000249 -0.000708 -0.000339 0.000533 31O 1f+1 -0.000523 0.000417 -0.000263 -0.000321 -0.000309 -0.000385 31O 1f-1 -0.000086 -0.000117 -0.001076 -0.000356 0.000403 0.000309 31O 1f+2 0.000747 -0.000511 0.000153 0.000478 0.000734 0.000977 31O 1f-2 0.001179 0.000187 0.000640 0.001345 0.001027 0.000361 31O 1f+3 -0.000135 -0.000045 -0.000017 0.000036 -0.000375 -0.000908 31O 1f-3 0.001055 -0.000420 0.000513 0.000736 0.001321 0.000512 32O 1s -0.008509 -0.001865 0.000217 0.000942 -0.002357 -0.001177 32O 2s -0.020300 -0.004881 0.000470 0.002383 -0.005433 -0.003354 32O 3s 0.025436 0.012870 -0.000011 -0.006366 0.003202 0.014463 32O 4s 0.078540 -0.002086 -0.006742 -0.014876 0.037481 -0.025392 32O 5s 0.213299 0.083762 0.014106 0.073916 0.028781 0.071584 32O 1pz -0.001616 -0.005716 0.011002 -0.010974 -0.022670 0.005093 32O 1px 0.026252 -0.011976 0.003921 0.005413 0.015822 -0.043944 32O 1py -0.063230 0.032109 -0.002229 -0.021051 -0.009757 -0.018580 32O 2pz 0.012727 -0.003176 0.003942 0.023551 -0.035063 0.008954 32O 2px -0.015006 -0.010652 0.000919 0.008153 0.000893 -0.045088 32O 2py -0.075620 0.038065 -0.001591 -0.023426 -0.009507 -0.040840 32O 3pz -0.056529 -0.066865 -0.011858 0.218849 -0.186385 0.081100 32O 3px 0.243532 -0.036018 -0.001382 0.126618 0.004086 -0.045184 32O 3py 0.108413 0.007433 0.001866 0.032176 0.051111 0.055023 32O 1dz2 -0.000079 0.001193 0.000437 -0.003147 0.002599 -0.000278 32O 1dxz 0.000379 -0.001226 -0.000523 0.002151 -0.003014 0.000442 32O 1dyz -0.000591 0.001366 0.000612 -0.005159 0.003316 -0.001179 32O 1dx2y2 -0.000033 -0.001290 -0.000149 0.001499 -0.001072 -0.000065 32O 1dxy 0.001259 0.000050 0.000342 -0.001533 0.001612 0.000105 32O 2dz2 0.001795 0.001631 -0.001989 0.010306 0.006640 -0.002145 32O 2dxz 0.003399 -0.004361 0.002984 -0.008448 -0.006453 -0.003562 32O 2dyz -0.000947 0.000184 -0.002302 0.015998 -0.004338 -0.000319 32O 2dx2y2 0.006384 -0.007114 0.001295 0.001834 -0.001397 -0.010759 32O 2dxy 0.000176 0.003472 -0.001504 0.000192 -0.005764 0.017528 32O 1f0 0.000917 -0.000154 -0.000010 0.001099 0.000122 -0.000213 32O 1f+1 -0.000518 0.000189 -0.000186 0.000409 -0.000012 0.000139 32O 1f-1 0.000996 -0.000021 -0.000210 0.002039 0.000635 -0.001093 32O 1f+2 -0.000255 -0.000354 0.000207 -0.000660 -0.000680 0.000008 32O 1f-2 0.000857 -0.000271 0.000428 -0.001266 0.000750 -0.001459 32O 1f+3 -0.000256 0.000094 -0.000167 0.000310 -0.000081 0.000905 32O 1f-3 -0.000205 0.000136 -0.000191 0.000711 -0.000238 0.000184 33O 1s -0.005703 -0.007882 0.003147 0.002894 -0.000346 0.011969 33O 2s -0.015066 -0.018635 0.007547 0.008409 -0.000717 0.030809 33O 3s 0.039240 0.019782 -0.009762 -0.032508 -0.000269 -0.072913 33O 4s -0.045130 0.115984 -0.029114 0.114946 -0.011587 0.058417 33O 5s 1.257733 0.285457 -0.179198 -0.975315 0.057034 -1.471544 33O 1pz 0.058043 0.063442 0.020651 -0.011932 -0.066355 -0.008681 33O 1px 0.006973 -0.045549 0.025889 -0.027086 -0.003455 0.030524 33O 1py 0.044845 0.029022 -0.044968 -0.021771 -0.045261 -0.015377 33O 2pz 0.058675 0.067947 0.005813 -0.030587 -0.039774 -0.031312 33O 2px -0.040399 -0.045668 0.029819 -0.002443 -0.003951 0.059939 33O 2py 0.025836 0.018599 -0.061701 -0.034518 -0.028458 -0.009337 33O 3pz 0.542525 0.226804 0.092518 -0.130532 -0.227706 -0.256739 33O 3px -0.202339 -0.329824 0.154764 0.175352 -0.114975 0.377630 33O 3py 0.278617 0.078266 0.058864 0.019262 -0.178176 -0.056683 33O 1dz2 -0.000040 0.000359 0.000534 -0.000244 0.000622 0.001045 33O 1dxz 0.000282 0.000617 -0.000361 -0.003504 0.000756 -0.001723 33O 1dyz 0.000481 0.000566 -0.000299 -0.000245 -0.000314 0.000375 33O 1dx2y2 0.000899 -0.002149 0.000996 0.001657 -0.000607 0.002366 33O 1dxy 0.000918 -0.000704 0.001244 0.000163 -0.001202 -0.000867 33O 2dz2 -0.000229 0.001271 0.003911 -0.005304 0.001033 -0.000190 33O 2dxz -0.034925 -0.010623 0.003721 0.007760 -0.003249 0.020616 33O 2dyz 0.005071 0.006836 -0.005856 -0.004609 0.003688 -0.000656 33O 2dx2y2 0.019236 0.008474 0.003570 -0.003438 0.001383 -0.010264 33O 2dxy -0.002442 0.000447 -0.001447 0.003776 -0.000138 0.003885 33O 1f0 -0.000684 0.000207 0.001027 0.000500 -0.000684 0.000742 33O 1f+1 -0.000656 -0.000683 -0.000046 0.000725 -0.000090 0.000705 33O 1f-1 0.000597 0.000779 0.000050 0.000449 -0.000620 0.000276 33O 1f+2 0.001230 0.000271 -0.000006 -0.001078 0.000776 -0.001604 33O 1f-2 -0.000563 -0.000920 0.000768 0.000232 -0.000151 0.000248 33O 1f+3 0.000680 0.000283 0.000229 -0.000369 0.000307 -0.000304 33O 1f-3 -0.000283 0.000367 0.000085 0.000662 -0.000508 0.000581 34O 1s 0.000971 -0.003259 -0.003511 0.011796 0.004581 -0.006757 34O 2s 0.003089 -0.008506 -0.008389 0.029793 0.012714 -0.016944 34O 3s -0.016633 0.022004 0.010716 -0.060965 -0.043338 0.033947 34O 4s 0.065503 -0.029919 0.035579 0.010604 0.091102 0.006583 34O 5s -0.653641 0.614486 0.166980 -1.367353 -1.139936 0.469236 34O 1pz -0.005650 0.026279 0.030559 -0.018628 -0.024661 -0.033179 34O 1px -0.028420 0.007172 0.020790 -0.003175 -0.009257 -0.000007 34O 1py 0.001862 0.006119 0.017853 0.032665 0.065941 0.024799 34O 2pz 0.001561 0.031889 0.026539 -0.015408 -0.016621 -0.037325 34O 2px -0.030761 0.019041 0.027810 -0.050393 -0.029314 0.017925 34O 2py -0.021752 -0.006436 -0.011858 0.023054 0.055534 0.008987 34O 3pz -0.094542 0.016494 -0.027570 0.044079 -0.099523 -0.111693 34O 3px -0.264634 0.142813 0.074534 -0.500903 -0.216745 0.164795 34O 3py 0.239770 0.021744 0.215128 0.200501 0.282184 0.128448 34O 1dz2 0.000473 0.000691 0.000830 -0.002238 0.002112 -0.000108 34O 1dxz 0.001308 -0.000271 0.001895 -0.000543 0.000691 0.001746 34O 1dyz 0.000785 -0.000745 0.000044 -0.000650 0.000206 0.001153 34O 1dx2y2 -0.001520 0.000233 0.000265 0.003395 -0.000479 -0.000656 34O 1dxy 0.000348 0.000716 0.000169 -0.001533 -0.000357 0.000729 34O 2dz2 0.012991 -0.006353 0.006719 0.018100 0.010638 -0.008077 34O 2dxz 0.001408 0.001021 -0.000223 0.005263 0.003796 -0.005296 34O 2dyz 0.003473 -0.005141 -0.007143 -0.007797 0.000106 0.004453 34O 2dx2y2 -0.012652 0.005102 0.002624 -0.026124 -0.016960 0.012317 34O 2dxy 0.008428 -0.002077 -0.003152 0.007049 0.008947 -0.001547 34O 1f0 0.000128 0.000101 -0.000054 -0.000720 -0.000142 0.000384 34O 1f+1 0.000494 -0.000131 0.000318 0.001363 0.000499 -0.000744 34O 1f-1 -0.000406 0.000157 -0.000402 -0.000266 -0.000003 -0.000297 34O 1f+2 0.000176 0.000545 0.000485 0.000384 -0.000019 -0.000249 34O 1f-2 0.000463 -0.000311 -0.000397 -0.000760 0.000118 0.000690 34O 1f+3 0.000079 -0.000236 -0.000676 0.001577 0.000259 -0.000916 34O 1f-3 -0.001058 0.000675 0.000371 -0.001070 -0.000474 0.000127 35O 1s 0.009856 -0.011921 0.004437 -0.004669 -0.008513 -0.000591 35O 2s 0.025668 -0.030042 0.010995 -0.012359 -0.021335 -0.002279 35O 3s -0.063152 0.062921 -0.019443 0.034196 0.042572 0.015634 35O 4s 0.080859 -0.003377 -0.015023 -0.049152 0.012041 -0.068225 35O 5s -1.596908 1.068603 -0.434750 0.876832 0.447547 0.783756 35O 1pz -0.038461 0.009604 0.011173 0.024069 -0.000528 0.063740 35O 1px 0.015006 0.063659 -0.002819 -0.006838 -0.018110 -0.004428 35O 1py -0.021438 0.007407 -0.041064 0.034570 -0.009511 0.011982 35O 2pz -0.028031 0.042262 -0.010282 0.029641 0.018740 0.040860 35O 2px -0.035753 0.069033 -0.022236 0.015545 0.006128 0.010729 35O 2py -0.046766 0.035126 -0.035972 0.062428 0.005506 -0.003042 35O 3pz -0.121869 -0.160248 0.109139 0.018053 -0.242940 0.378380 35O 3px -0.554624 0.366333 -0.135220 0.027704 -0.001558 0.185338 35O 3py -0.243676 0.010768 -0.120611 -0.018492 -0.148552 0.286981 35O 1dz2 -0.001254 0.002259 0.000288 -0.000123 0.000808 0.000926 35O 1dxz -0.000768 0.000601 0.000474 -0.000755 0.000306 -0.000807 35O 1dyz -0.000146 0.000488 -0.000022 0.000486 -0.001856 -0.000405 35O 1dx2y2 0.002891 -0.000837 0.001984 0.000777 -0.001980 0.001070 35O 1dxy 0.001599 -0.001667 -0.000321 -0.000339 -0.000802 0.001156 35O 2dz2 0.019152 0.005087 0.009931 -0.002942 -0.003192 -0.012805 35O 2dxz -0.003970 0.002624 -0.000521 0.008145 0.001085 0.000901 35O 2dyz 0.004294 0.013205 -0.007849 0.006322 -0.003686 -0.001873 35O 2dx2y2 -0.029649 0.003408 -0.003303 0.002706 -0.000590 0.019066 35O 2dxy -0.027995 0.004827 -0.002477 0.011400 -0.002398 0.013208 35O 1f0 0.000245 -0.000871 0.000556 -0.000410 0.000313 -0.000158 35O 1f+1 0.001923 0.000213 0.000758 -0.000213 -0.000811 -0.000163 35O 1f-1 0.000489 -0.000725 0.000625 -0.000827 -0.000876 0.000132 35O 1f+2 -0.000538 0.000641 0.000363 0.000675 0.000532 -0.000358 35O 1f-2 0.000209 0.001502 -0.000215 0.000364 -0.001362 0.000201 35O 1f+3 0.001222 0.000021 -0.000317 0.000020 -0.000335 -0.000568 35O 1f-3 0.001997 -0.000894 0.000298 -0.000413 -0.000115 -0.000821 168 169 170 171 172 173 0.31548 0.31918 0.32180 0.32232 0.35208 0.36490 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s 0.000848 -0.000429 0.000293 -0.000187 -0.000001 0.000980 0Rh 2s -0.003250 0.001583 -0.001086 0.000890 0.000097 -0.002666 0Rh 3s 0.002925 -0.001518 0.001031 -0.000540 0.000057 0.004053 0Rh 4s 0.014404 -0.006978 0.004794 -0.004037 -0.000478 0.011319 0Rh 5s -0.012312 0.005286 -0.003747 0.005044 0.001225 -0.000074 0Rh 6s -0.023037 0.014249 -0.009243 -0.000209 -0.002209 -0.056830 0Rh 7s -0.117801 -0.052281 0.005429 0.327978 0.014645 0.297800 0Rh 8s 0.496595 -0.079613 0.186133 -0.663245 -0.129689 -1.098232 0Rh 1pz 0.009173 -0.007084 0.004867 -0.000463 -0.015398 0.001846 0Rh 1px 0.004296 -0.002577 -0.001046 0.000293 -0.005145 -0.000993 0Rh 1py -0.000063 0.004609 0.010958 -0.011909 0.002854 0.011716 0Rh 2pz -0.031906 0.024612 -0.016849 0.001619 0.052807 -0.006230 0Rh 2px -0.014934 0.009008 0.003602 -0.000948 0.017616 0.003363 0Rh 2py 0.000272 -0.015961 -0.038006 0.041519 -0.009769 -0.039684 0Rh 3pz 0.035503 -0.026860 0.017205 -0.001940 -0.043913 0.003293 0Rh 3px 0.016422 -0.010856 -0.003342 -0.000362 -0.014085 -0.002048 0Rh 3py -0.001309 0.016411 0.040183 -0.047907 0.007821 0.023350 0Rh 4pz 0.013948 -0.012921 0.013402 -0.000608 -0.081456 0.016583 0Rh 4px 0.007515 -0.000522 -0.004231 0.006588 -0.029432 -0.007251 0Rh 4py 0.003698 0.012200 0.024896 -0.011600 0.016204 0.098941 0Rh 5pz 0.075513 -0.048434 0.023647 -0.001437 0.002149 -0.013077 0Rh 5px 0.030700 -0.028625 -0.002028 -0.014519 0.006365 -0.003040 0Rh 5py -0.008817 0.023843 0.066505 -0.115187 -0.003495 -0.084271 0Rh 6pz -1.855628 0.973404 -0.591622 0.180535 0.364645 0.076260 0Rh 6px -0.718246 0.542509 0.017295 -0.119882 0.073175 0.371474 0Rh 6py 0.220671 -0.615606 -1.296668 2.484226 -0.010026 0.577515 0Rh 1dz2 0.014932 0.005199 -0.007750 -0.001061 0.024036 -0.004501 0Rh 1dxz -0.030567 -0.007090 0.010812 0.006696 -0.038062 0.015541 0Rh 1dyz -0.006210 -0.005520 -0.003779 -0.009384 -0.008634 -0.013656 0Rh 1dx2y2 -0.010234 -0.007102 -0.000337 -0.011108 -0.017373 -0.016219 0Rh 1dxy 0.003061 0.010351 0.011411 0.033537 0.006438 0.046594 0Rh 2dz2 0.000021 -0.000521 0.000774 -0.000050 -0.001215 0.000658 0Rh 2dxz 0.000876 0.001123 -0.001034 0.000146 0.001193 0.000031 0Rh 2dyz 0.000252 0.000520 0.000703 -0.000060 0.000415 0.000578 0Rh 2dx2y2 0.000139 0.000967 0.000282 -0.000144 0.000318 -0.000425 0Rh 2dxy 0.000024 -0.000856 -0.001406 -0.000624 -0.000396 -0.001958 0Rh 3dz2 -0.027055 -0.007261 0.010854 0.002148 -0.038855 0.005506 0Rh 3dxz 0.051695 0.008282 -0.015397 -0.012747 0.064663 -0.028672 0Rh 3dyz 0.010160 0.007872 0.003932 0.017331 0.014143 0.022660 0Rh 3dx2y2 0.017950 0.008881 -0.000533 0.020706 0.030373 0.031501 0Rh 3dxy -0.005624 -0.015287 -0.015002 -0.058204 -0.010113 -0.077404 0Rh 4dz2 -0.019492 -0.013755 0.020133 0.000584 -0.046056 0.014802 0Rh 4dxz 0.051705 0.023492 -0.027227 -0.006590 0.063313 -0.018068 0Rh 4dyz 0.012238 0.013962 0.014332 0.010183 0.015431 0.024504 0Rh 4dx2y2 0.015351 0.021859 0.004101 0.012094 0.026129 0.013402 0Rh 4dxy -0.003548 -0.024216 -0.032432 -0.052707 -0.013475 -0.082893 0Rh 5dz2 -0.065260 0.017440 -0.017149 0.010769 -0.039689 -0.020161 0Rh 5dxz 0.071840 -0.039858 0.019334 -0.042655 0.105228 -0.079797 0Rh 5dyz 0.001014 -0.013630 -0.031126 0.067543 0.032725 0.031683 0Rh 5dx2y2 0.036214 -0.035707 -0.015490 0.069130 0.063244 0.109427 0Rh 5dxy -0.016123 0.008636 0.037251 -0.093007 0.000219 -0.115838 0Rh 1f0 -0.000757 0.003410 0.003779 -0.003578 0.004090 0.005038 0Rh 1f+1 0.004975 -0.001703 0.001364 -0.002155 -0.003302 0.000575 0Rh 1f-1 0.005090 -0.002167 0.010081 -0.005614 -0.005496 0.006592 0Rh 1f+2 -0.006758 0.007735 -0.001469 -0.000911 0.010182 -0.000981 0Rh 1f-2 -0.002555 0.003660 0.006935 -0.006488 0.001024 0.004338 0Rh 1f+3 0.004453 -0.004832 -0.002452 0.002776 -0.005869 -0.003667 0Rh 1f-3 -0.000425 0.000883 0.004489 -0.004111 0.002120 0.000584 1Rh 1s 0.000905 0.000442 -0.000287 -0.000191 -0.000000 -0.000646 1Rh 2s -0.003431 -0.001626 0.001064 0.000899 -0.000105 0.001401 1Rh 3s 0.003144 0.001567 -0.001012 -0.000553 -0.000066 -0.002896 1Rh 4s 0.015184 0.007166 -0.004693 -0.004078 0.000520 -0.005715 1Rh 5s -0.012646 -0.005390 0.003650 0.005054 -0.001356 -0.004429 1Rh 6s -0.025588 -0.014791 0.009139 -0.000043 0.002531 0.046081 1Rh 7s -0.099509 0.054323 -0.016218 0.327153 -0.022699 -0.238388 1Rh 8s 0.417009 0.078806 -0.163556 -0.667114 0.142153 1.087867 1Rh 1pz -0.009234 -0.007110 0.004803 0.000401 -0.015252 0.002456 1Rh 1px -0.004441 -0.002470 -0.001019 -0.000417 -0.005110 0.000608 1Rh 1py 0.000569 0.004366 0.010465 0.012436 0.002675 0.011809 1Rh 2pz 0.032117 0.024703 -0.016624 -0.001405 0.052295 -0.008353 1Rh 2px 0.015439 0.008639 0.003511 0.001379 0.017496 -0.002181 1Rh 2py -0.002020 -0.015111 -0.036287 -0.043349 -0.009144 -0.040000 1Rh 3pz -0.035741 -0.026941 0.016941 0.001693 -0.043312 0.005604 1Rh 3px -0.016996 -0.010573 -0.003278 -0.000088 -0.013990 0.003586 1Rh 3py 0.002980 0.015422 0.038220 0.049857 0.007050 0.023569 1Rh 4pz -0.014028 -0.013039 0.013331 0.000542 -0.081353 0.017834 1Rh 4px -0.007670 0.000136 -0.004012 -0.006887 -0.029212 -0.002642 1Rh 4py -0.001855 0.011989 0.024333 0.012731 0.016207 0.099595 1Rh 5pz -0.076008 -0.048445 0.023197 0.000857 0.003714 -0.008826 1Rh 5px -0.032145 -0.028870 -0.002377 0.013768 0.006202 0.005086 1Rh 5py 0.010512 0.021491 0.061918 0.118491 -0.005653 -0.084614 1Rh 6pz 1.869193 0.975006 -0.575130 -0.174106 0.341559 -0.055356 1Rh 6px 0.731724 0.534319 0.012976 0.133874 0.067271 0.270377 1Rh 6py -0.252344 -0.561832 -1.196635 -2.549205 0.026957 0.581319 1Rh 1dz2 0.015203 -0.005179 0.008070 -0.001026 -0.024303 0.003833 1Rh 1dxz -0.030448 0.007007 -0.011126 0.006628 0.038177 -0.013847 1Rh 1dyz -0.006072 0.005802 0.004034 -0.009157 0.008789 0.014234 1Rh 1dx2y2 -0.010170 0.007388 0.000823 -0.010913 0.017434 0.016523 1Rh 1dxy 0.002720 -0.011161 -0.012764 0.032857 -0.006629 -0.046692 1Rh 2dz2 0.000020 0.000518 -0.000790 -0.000046 0.001249 -0.000558 1Rh 2dxz 0.000882 -0.001128 0.001021 0.000153 -0.001208 -0.000148 1Rh 2dyz 0.000245 -0.000531 -0.000690 -0.000103 -0.000403 -0.000552 1Rh 2dx2y2 0.000094 -0.000965 -0.000287 -0.000170 -0.000302 0.000379 1Rh 2dxy 0.000012 0.000866 0.001435 -0.000541 0.000413 0.001986 1Rh 3dz2 -0.027543 0.007236 -0.011369 0.002069 0.039202 -0.004702 1Rh 3dxz 0.051454 -0.008111 0.016022 -0.012655 -0.064812 0.026043 1Rh 3dyz 0.009943 -0.008337 -0.004454 0.017097 -0.014480 -0.023826 1Rh 3dx2y2 0.018020 -0.009408 -0.000328 0.020461 -0.030549 -0.031859 1Rh 3dxy -0.004952 0.016713 0.017333 -0.057309 0.010388 0.077474 1Rh 4dz2 -0.019818 0.013697 -0.020745 0.000588 0.046818 -0.012527 1Rh 4dxz 0.051657 -0.023450 0.027460 -0.006407 -0.063649 0.014576 1Rh 4dyz 0.011941 -0.014461 -0.014437 0.009334 -0.015399 -0.024781 1Rh 4dx2y2 0.014631 -0.022200 -0.004770 0.011491 -0.025984 -0.014550 1Rh 4dxy -0.003317 0.025427 0.034611 -0.050771 0.013963 0.083323 1Rh 5dz2 -0.067097 -0.017393 0.016569 0.010431 0.039130 0.015343 1Rh 5dxz 0.070593 0.040506 -0.017055 -0.042865 -0.104887 0.074876 1Rh 5dyz 0.000807 0.012974 0.028211 0.069134 -0.035321 -0.037137 1Rh 5dx2y2 0.039232 0.034321 0.013041 0.070085 -0.064832 -0.104065 1Rh 5dxy -0.013063 -0.006022 -0.033733 -0.095282 -0.000608 0.116168 1Rh 1f0 0.000862 0.003323 0.003594 0.003828 0.003983 0.004587 1Rh 1f+1 -0.004974 -0.001733 0.001264 0.002132 -0.003326 0.000635 1Rh 1f-1 -0.004945 -0.002307 0.009832 0.005937 -0.005492 0.006575 1Rh 1f+2 0.006911 0.007719 -0.001470 0.001073 0.010053 -0.001141 1Rh 1f-2 0.002813 0.003499 0.006661 0.006829 0.001009 0.004552 1Rh 1f+3 -0.004568 -0.004724 -0.002388 -0.003021 -0.005855 -0.003412 1Rh 1f-3 0.000698 0.000752 0.004309 0.004326 0.002135 0.000532 2C 1s 0.001913 0.009188 -0.017720 0.000471 -0.004195 0.010059 2C 2s 0.004822 0.019924 -0.038642 0.000551 -0.008453 0.019228 2C 3s -0.028243 -0.019799 0.034420 0.016502 0.000780 0.044755 2C 4s 0.084098 -0.261036 0.514668 -0.117196 0.155789 -0.684869 2C 5s -0.976950 2.414546 -4.008887 1.166214 -3.567228 5.460722 2C 1pz -0.026419 -0.035085 0.098087 0.005959 -0.030088 0.012638 2C 1px -0.017976 0.001376 0.005765 0.009925 0.000048 -0.006161 2C 1py -0.018019 -0.052280 0.060521 0.015029 0.007741 0.026508 2C 2pz -0.021309 0.019685 0.042015 -0.004037 -0.180279 0.127451 2C 2px -0.006973 0.004591 -0.043993 -0.008180 0.015227 0.027215 2C 2py -0.000945 -0.015216 0.014208 0.024963 -0.062995 0.119793 2C 3pz -0.506814 0.250522 -1.213092 0.426160 -0.341947 0.973201 2C 3px 0.759488 -0.318204 0.400875 -0.769301 -0.488062 0.191329 2C 3py 0.159280 0.967733 -0.545294 0.072451 -0.851145 -0.076652 2C 1dz2 0.003285 0.001831 0.002491 -0.003684 -0.004899 -0.002201 2C 1dxz -0.005826 -0.001743 -0.000286 0.003828 0.000708 0.003102 2C 1dyz -0.000079 -0.000114 -0.000961 0.000172 -0.000857 0.003321 2C 1dx2y2 -0.002164 0.002227 -0.001618 0.000968 -0.000571 -0.002952 2C 1dxy -0.002571 0.003132 -0.001295 0.005243 0.000969 0.001554 2C 2dz2 0.027810 0.057448 -0.043650 -0.017402 -0.034784 -0.021568 2C 2dxz -0.002187 0.053807 -0.048450 0.015019 -0.011434 -0.004173 2C 2dyz 0.035885 0.021910 -0.072250 -0.021919 -0.005065 0.025885 2C 2dx2y2 0.004174 -0.010545 0.058431 0.002066 -0.004906 -0.015751 2C 2dxy -0.005366 -0.013387 -0.011690 -0.001796 0.002657 0.007671 2C 1f0 0.001409 0.002528 0.001434 -0.000053 0.000811 -0.000758 2C 1f+1 0.000823 -0.000613 -0.002873 -0.001402 0.000859 0.001867 2C 1f-1 0.002440 0.001459 -0.001973 -0.001455 0.000283 -0.003341 2C 1f+2 -0.001760 0.001830 -0.000844 0.001862 -0.000640 0.004153 2C 1f-2 0.002076 0.001096 0.002323 -0.001521 0.000416 -0.004897 2C 1f+3 0.001470 0.004655 -0.004361 0.000107 -0.001487 0.002998 2C 1f-3 0.000554 -0.001209 -0.002427 -0.000916 -0.000082 0.001566 3C 1s -0.005611 0.018329 0.008805 0.005759 -0.004162 -0.009865 3C 2s -0.011547 0.039821 0.019094 0.012951 -0.007272 -0.020533 3C 3s -0.010289 -0.032399 -0.022468 -0.019111 -0.031796 0.013536 3C 4s 0.289028 -0.546850 -0.231055 -0.093130 0.356249 0.333534 3C 5s -0.920044 4.464921 2.116983 -0.477522 -3.843925 -4.986822 3C 1pz 0.011286 -0.057776 -0.051185 -0.001932 -0.035590 0.020963 3C 1px -0.006957 -0.024139 -0.020015 -0.017214 -0.022721 0.009932 3C 1py -0.022258 0.092922 0.045119 0.014042 0.022770 -0.000957 3C 2pz 0.002001 -0.037663 -0.018459 0.005480 -0.099948 -0.100865 3C 2px -0.026700 0.027486 0.008459 0.001651 -0.090634 -0.006427 3C 2py -0.033870 0.014283 0.003366 -0.002124 0.101243 0.178827 3C 3pz -0.507204 0.710909 1.032184 -0.137852 0.241433 -0.845535 3C 3px 0.819315 0.109661 -0.009119 0.846063 -0.070669 -0.677270 3C 3py 0.194453 -1.191890 -0.138632 0.282282 0.875294 0.615304 3C 1dz2 0.002688 0.000813 -0.004042 0.001549 -0.001685 0.002689 3C 1dxz -0.002404 -0.000110 -0.000692 -0.002109 -0.003463 0.002750 3C 1dyz -0.001453 -0.000305 -0.002014 -0.002341 0.000300 0.003736 3C 1dx2y2 -0.005571 0.001760 0.002010 -0.001430 -0.000120 0.004476 3C 1dxy 0.004709 -0.000557 0.000259 0.007260 0.003375 -0.000607 3C 2dz2 0.003179 0.009102 -0.017820 -0.000777 -0.017254 0.028654 3C 2dxz -0.010727 0.051975 0.020199 -0.004547 -0.004072 -0.016185 3C 2dyz -0.005571 -0.063009 -0.002511 -0.021298 0.007489 0.024868 3C 2dx2y2 0.010534 -0.060399 -0.069866 -0.017503 -0.030668 0.060710 3C 2dxy 0.023659 -0.047087 -0.049465 -0.009517 -0.001388 0.026137 3C 1f0 0.002527 -0.001777 -0.005351 -0.002295 -0.001930 0.003248 3C 1f+1 0.001388 0.000768 -0.001930 0.000054 -0.000603 0.001228 3C 1f-1 0.001058 -0.003561 0.001820 -0.000063 0.000256 0.002126 3C 1f+2 -0.001954 0.003410 0.000608 0.001761 -0.004178 -0.000687 3C 1f-2 -0.002346 0.000423 0.000061 -0.000605 -0.002008 -0.000675 3C 1f+3 0.000780 0.003500 0.000516 0.001345 0.000234 -0.001133 3C 1f-3 0.000658 -0.002966 -0.000559 0.000126 0.001109 -0.000791 4C 1s -0.002856 -0.016426 0.038587 0.002337 -0.006895 0.016615 4C 2s -0.007034 -0.037137 0.086763 0.004846 -0.015436 0.035561 4C 3s 0.073871 0.066229 -0.125736 -0.012212 0.004679 0.029434 4C 4s -0.386795 0.232316 -0.778894 -0.029222 0.231294 -0.845338 4C 5s 0.131608 -0.766319 0.924693 -0.039928 2.033173 -1.766014 4C 1pz -0.024444 -0.023751 -0.038945 0.018304 0.029171 -0.033651 4C 1px 0.018965 -0.019701 -0.022061 -0.012266 0.021140 0.006679 4C 1py -0.005040 0.059686 -0.015804 -0.005410 -0.009097 -0.045263 4C 2pz -0.046144 -0.061722 -0.191139 0.009893 0.231746 -0.141428 4C 2px 0.008015 -0.050812 -0.067651 -0.072481 -0.117279 -0.086564 4C 2py -0.020215 0.233859 -0.056796 -0.049059 -0.101304 -0.323695 4C 3pz -0.019052 1.568523 -1.710142 0.164580 -2.184958 1.660184 4C 3px -2.029515 0.611756 -0.801974 2.013456 -0.101075 0.564800 4C 3py -0.873880 -0.025324 -1.605590 0.850428 -0.711366 2.003166 4C 1dz2 -0.003084 -0.000006 -0.003694 0.002971 -0.000724 0.006499 4C 1dxz 0.005008 0.006010 -0.008563 -0.001978 -0.009505 -0.000024 4C 1dyz -0.003081 -0.004889 0.011732 0.000992 -0.003869 0.002282 4C 1dx2y2 -0.000153 -0.009460 0.016380 0.000372 0.004369 -0.008283 4C 1dxy -0.000442 -0.005318 0.012239 -0.006493 -0.004234 -0.006306 4C 2dz2 -0.011728 -0.052836 0.051304 0.033654 0.135046 0.041063 4C 2dxz 0.042398 -0.026426 0.031198 -0.046088 0.009991 -0.015498 4C 2dyz -0.041497 -0.045039 0.086190 0.021042 0.020272 -0.094940 4C 2dx2y2 -0.033475 0.002444 -0.035927 0.010730 -0.008092 0.077327 4C 2dxy -0.011822 -0.004015 0.019678 -0.020352 -0.031524 -0.030645 4C 1f0 0.004059 -0.000443 -0.000231 -0.001633 -0.000532 0.005237 4C 1f+1 0.004602 0.002518 0.002398 -0.000098 -0.003254 0.008318 4C 1f-1 0.001979 0.002496 -0.004839 0.000194 -0.001843 0.004564 4C 1f+2 -0.008388 -0.003673 -0.000463 0.005323 0.009791 -0.002997 4C 1f-2 0.000693 -0.002650 -0.002379 -0.001403 -0.002237 0.001748 4C 1f+3 -0.003799 0.002028 -0.000315 0.004950 0.004220 0.001115 4C 1f-3 0.001577 -0.002530 0.000373 0.004354 0.002313 0.010245 5C 1s 0.005657 -0.039325 -0.016555 -0.001964 -0.013710 -0.007693 5C 2s 0.013102 -0.088070 -0.037844 -0.005104 -0.030440 -0.015673 5C 3s -0.058589 0.118571 0.079620 0.056880 0.023648 -0.076815 5C 4s 0.189939 0.870700 0.147410 -0.365960 0.377396 0.790401 5C 5s 0.174531 -1.244898 -0.447439 0.477985 1.709990 2.304417 5C 1pz -0.009819 0.001263 0.041502 -0.019258 0.039071 0.006227 5C 1px 0.007439 0.010513 0.019926 0.023310 -0.001004 0.027541 5C 1py 0.014398 -0.051662 0.027896 0.003290 -0.003946 -0.061421 5C 2pz 0.005641 0.019842 0.188555 -0.065251 0.179206 0.011235 5C 2px 0.029594 -0.006178 0.065630 0.073195 0.276861 -0.014060 5C 2py -0.006863 -0.231079 0.051387 0.039966 -0.019678 -0.295348 5C 3pz 0.610101 1.555045 -0.199568 0.484560 -1.500394 -1.010996 5C 3px -1.930683 1.043030 0.446468 -2.191926 -0.749814 -0.340486 5C 3py -0.208827 -1.984869 -1.415086 -0.114103 1.284077 2.713600 5C 1dz2 -0.006586 0.011990 0.008085 0.001910 -0.002814 -0.002365 5C 1dxz 0.001234 0.008464 0.004828 0.001551 0.000299 -0.009419 5C 1dyz -0.003246 0.014088 0.008024 0.007118 0.007032 -0.004882 5C 1dx2y2 0.008064 -0.014208 -0.007549 0.000144 0.008689 0.007167 5C 1dxy -0.003245 0.000578 0.000681 -0.004445 -0.002553 0.008200 5C 2dz2 -0.038238 0.007707 0.021832 0.006281 0.048745 -0.078551 5C 2dxz -0.009941 -0.047186 -0.008750 0.036314 0.074054 -0.003870 5C 2dyz -0.017935 0.074378 0.041596 0.063120 -0.032963 -0.060469 5C 2dx2y2 0.059441 0.050532 0.043736 0.017085 0.030671 -0.128600 5C 2dxy -0.019966 0.067545 0.039513 -0.040684 -0.074252 -0.037688 5C 1f0 0.000737 -0.005040 -0.002143 0.005901 0.003906 -0.002118 5C 1f+1 -0.007448 0.000128 -0.001981 -0.001392 -0.006533 -0.003159 5C 1f-1 0.000680 0.000991 -0.003110 0.000766 -0.001643 0.003571 5C 1f+2 -0.002775 -0.004370 0.000687 -0.004235 0.000085 0.004742 5C 1f-2 0.001419 0.000908 -0.002156 -0.007332 -0.001886 0.011674 5C 1f+3 -0.007707 0.000962 0.002025 -0.000991 -0.006795 -0.008065 5C 1f-3 0.004892 0.001976 -0.003595 -0.005166 0.004209 0.010047 6C 1s 0.005518 0.039372 0.016532 -0.000311 0.013737 0.011023 6C 2s 0.012857 0.088173 0.037820 -0.001362 0.030541 0.022911 6C 3s -0.060380 -0.119213 -0.081474 0.050243 -0.026797 0.063896 6C 4s 0.208550 -0.865972 -0.132101 -0.390256 -0.355811 -0.841416 6C 5s 0.107211 1.241665 0.423406 0.529874 -1.706409 -1.992492 6C 1pz 0.007416 0.000984 0.040338 0.021068 0.038308 0.009088 6C 1px -0.007960 0.011039 0.020847 -0.022517 -0.000714 0.033564 6C 1py -0.014714 -0.051466 0.027814 -0.003384 -0.003314 -0.063589 6C 2pz -0.012748 0.018978 0.185111 0.073113 0.176335 0.017959 6C 2px -0.030964 -0.005133 0.068131 -0.068771 0.276973 -0.009000 6C 2py 0.004178 -0.230189 0.053191 -0.042211 -0.016420 -0.296497 6C 3pz -0.606564 1.566536 -0.184934 -0.453465 -1.498866 -0.958452 6C 3px 1.914883 0.982239 0.368258 2.219569 -0.773542 -0.384525 6C 3py 0.246246 -1.984236 -1.408149 0.004091 1.295693 2.619920 6C 1dz2 -0.006588 -0.011995 -0.008162 0.001304 0.002689 0.001445 6C 1dxz 0.001108 -0.008528 -0.004851 0.001069 -0.000356 0.008493 6C 1dyz -0.003535 -0.014231 -0.008226 0.006357 -0.007215 0.004420 6C 1dx2y2 0.008052 0.014144 0.007508 0.000747 -0.008615 -0.005963 6C 1dxy -0.003180 -0.000464 -0.000532 -0.004379 0.002500 -0.008396 6C 2dz2 -0.037802 -0.007978 -0.022201 0.004852 -0.049894 0.066845 6C 2dxz -0.009054 0.046360 0.007189 0.037356 -0.075363 -0.003221 6C 2dyz -0.019246 -0.075315 -0.043657 0.059229 0.030342 0.051441 6C 2dx2y2 0.059882 -0.050235 -0.044032 0.013779 -0.030072 0.139214 6C 2dxy -0.019532 -0.066482 -0.038033 -0.043321 0.074732 0.038724 6C 1f0 -0.000610 -0.004895 -0.001903 -0.006006 0.004071 -0.001796 6C 1f+1 0.007484 0.000080 -0.002004 0.001282 -0.006413 -0.002523 6C 1f-1 -0.000613 0.000990 -0.003073 -0.000876 -0.001644 0.003361 6C 1f+2 0.002664 -0.004453 0.000509 0.004121 -0.000018 0.004282 6C 1f-2 -0.001440 0.000775 -0.002403 0.007185 -0.002141 0.010776 6C 1f+3 0.007662 0.000911 0.001992 0.001095 -0.006629 -0.007105 6C 1f-3 -0.005027 0.001873 -0.003770 0.005033 0.003918 0.008835 7C 1s -0.002399 0.016371 -0.038634 0.001227 0.006871 -0.013342 7C 2s -0.006036 0.037010 -0.086856 0.002362 0.015364 -0.028725 7C 3s 0.072766 -0.065775 0.125954 -0.009457 -0.002503 -0.020760 7C 4s -0.399381 -0.234004 0.779910 -0.000576 -0.243914 0.643952 7C 5s 0.193827 0.770999 -0.919408 -0.074628 -2.032293 2.023884 7C 1pz 0.026142 -0.023698 -0.038332 -0.020507 0.029892 -0.025508 7C 1px -0.018784 -0.019716 -0.022801 0.011257 0.021242 0.016170 7C 1py 0.003866 0.059509 -0.015799 0.005983 -0.008591 -0.034646 7C 2pz 0.052415 -0.062924 -0.190559 -0.017894 0.234128 -0.119061 7C 2px -0.011931 -0.052468 -0.070225 0.066402 -0.115808 -0.076301 7C 2py 0.014540 0.232705 -0.059220 0.051463 -0.100322 -0.299231 7C 3pz 0.075772 1.566184 -1.700907 -0.211671 -2.159241 1.894568 7C 3px 1.976556 0.651962 -0.707676 -2.021670 -0.089133 0.472604 7C 3py 0.916191 -0.005195 -1.579386 -0.921875 -0.694757 2.096874 7C 1dz2 -0.003063 -0.000076 0.003552 0.003025 0.000720 -0.007389 7C 1dxz 0.004754 -0.005892 0.008644 -0.001615 0.009421 0.000098 7C 1dyz -0.003073 0.004814 -0.011758 0.000699 0.003774 -0.003317 7C 1dx2y2 0.000046 0.009430 -0.016398 -0.000067 -0.004470 0.008926 7C 1dxy -0.000434 0.005453 -0.011938 -0.006720 0.004246 0.006962 7C 2dz2 -0.011886 0.051634 -0.052143 0.032229 -0.134775 -0.043082 7C 2dxz 0.043740 0.027166 -0.029176 -0.046160 -0.009266 0.017510 7C 2dyz -0.039614 0.045156 -0.087029 0.019074 -0.022211 0.090566 7C 2dx2y2 -0.034082 -0.002447 0.036146 0.012405 0.006367 -0.076801 7C 2dxy -0.010779 0.004640 -0.018829 -0.020508 0.030549 0.030783 7C 1f0 -0.003934 -0.000521 -0.000252 0.001611 -0.000594 0.004807 7C 1f+1 -0.004557 0.002514 0.002467 0.000267 -0.003465 0.007239 7C 1f-1 -0.001816 0.002507 -0.004818 -0.000303 -0.001895 0.004590 7C 1f+2 0.008399 -0.003566 -0.000228 -0.005383 0.009987 -0.002365 7C 1f-2 -0.000691 -0.002685 -0.002421 0.001261 -0.002271 0.001672 7C 1f+3 0.003820 0.002110 -0.000082 -0.004793 0.004204 0.001175 7C 1f-3 -0.001550 -0.002427 0.000539 -0.004297 0.002118 0.009315 8C 1s -0.005607 -0.018401 -0.008971 0.004892 0.003810 0.008403 8C 2s -0.011538 -0.039981 -0.019467 0.011076 0.006528 0.017376 8C 3s -0.010257 0.032550 0.022897 -0.017651 0.031760 -0.011962 8C 4s 0.288350 0.548654 0.234183 -0.066510 -0.342570 -0.278702 8C 5s -0.866810 -4.452864 -2.085800 -0.682369 3.826109 4.666089 8C 1pz -0.011198 -0.057692 -0.050994 -0.001737 -0.035956 0.015921 8C 1px 0.007322 -0.024321 -0.020488 0.015553 -0.023205 0.007963 8C 1py 0.023669 0.093412 0.045497 -0.009855 0.023557 0.003058 8C 2pz -0.002257 -0.037364 -0.018753 -0.007308 -0.100122 -0.109883 8C 2px 0.026485 0.027913 0.008683 -0.001611 -0.090129 -0.003017 8C 2py 0.035802 0.015451 0.003364 0.002366 0.100924 0.177575 8C 3pz 0.497709 0.701350 1.021560 0.198099 0.240326 -0.790288 8C 3px -0.844322 0.127875 0.013750 -0.830839 -0.071654 -0.640594 8C 3py -0.187378 -1.186199 -0.129150 -0.313264 0.873944 0.540148 8C 1dz2 0.002619 -0.000856 0.003987 0.001703 0.001675 -0.002706 8C 1dxz -0.002259 0.000173 0.000710 -0.002038 0.003484 -0.002666 8C 1dyz -0.001284 0.000389 0.002041 -0.002209 -0.000295 -0.003910 8C 1dx2y2 -0.005616 -0.001694 -0.001923 -0.001539 0.000105 -0.004334 8C 1dxy 0.004645 0.000372 -0.000526 0.007186 -0.003441 0.000687 8C 2dz2 0.003151 -0.009116 0.017765 -0.000367 0.017490 -0.027441 8C 2dxz -0.012233 -0.051832 -0.019684 -0.006486 0.003629 0.013024 8C 2dyz -0.004990 0.063227 0.003448 -0.019534 -0.006499 -0.021414 8C 2dx2y2 0.010265 0.060801 0.069796 -0.012727 0.031188 -0.057247 8C 2dxy 0.024316 0.046970 0.049889 -0.006416 0.002179 -0.022807 8C 1f0 -0.002570 -0.001840 -0.005407 0.001994 -0.002048 0.003014 8C 1f+1 -0.001392 0.000854 -0.001817 -0.000158 -0.000645 0.001162 8C 1f-1 -0.001129 -0.003532 0.001819 0.000021 0.000185 0.001871 8C 1f+2 0.001942 0.003417 0.000716 -0.001607 -0.004027 -0.000384 8C 1f-2 0.002393 0.000494 0.000036 0.000641 -0.001987 -0.000645 8C 1f+3 -0.000614 0.003547 0.000574 -0.001270 0.000266 -0.000918 8C 1f-3 -0.000561 -0.002901 -0.000571 -0.000237 0.001078 -0.000885 9C 1s 0.001661 -0.009195 0.017662 0.000957 0.004324 -0.009492 9C 2s 0.004282 -0.019909 0.038531 0.001596 0.008729 -0.018089 9C 3s -0.027768 0.018868 -0.034942 0.016063 -0.000991 -0.043370 9C 4s 0.091467 0.266624 -0.509182 -0.134245 -0.159943 0.656568 9C 5s -1.077910 -2.442748 3.959584 1.298298 3.546277 -5.669492 9C 1pz 0.025281 -0.034789 0.098496 -0.003320 -0.029338 0.015385 9C 1px 0.018132 0.001889 0.006127 -0.009498 0.000007 -0.002770 9C 1py 0.018090 -0.051929 0.060671 -0.013737 0.008211 0.027343 9C 2pz 0.023098 0.019357 0.042812 0.004534 -0.179626 0.126972 9C 2px 0.007507 0.006159 -0.044528 0.007958 0.013706 0.045639 9C 2py 0.001740 -0.015065 0.014144 -0.023531 -0.062048 0.120178 9C 3pz 0.530660 0.258309 -1.203109 -0.469705 -0.328866 1.042948 9C 3px -0.719902 -0.337815 0.368055 0.773113 -0.486968 0.250601 9C 3py -0.150234 0.962316 -0.530245 -0.076980 -0.855353 0.005768 9C 1dz2 0.003193 -0.001788 -0.002301 -0.003748 0.004896 0.002183 9C 1dxz -0.005688 0.001600 0.000129 0.003787 -0.000683 -0.003475 9C 1dyz -0.000104 0.000177 0.000935 0.000213 0.000858 -0.002993 9C 1dx2y2 -0.002125 -0.002110 0.001614 0.000962 0.000526 0.003235 9C 1dxy -0.002424 -0.003242 0.001037 0.005187 -0.000973 -0.001531 9C 2dz2 0.027349 -0.056722 0.043849 -0.017071 0.035376 0.024047 9C 2dxz -0.001619 -0.053631 0.047549 0.015674 0.011121 0.004062 9C 2dyz 0.034892 -0.022396 0.073086 -0.020000 0.006463 -0.022556 9C 2dx2y2 0.005178 0.009715 -0.059057 -0.000199 0.004940 0.013891 9C 2dxy -0.005238 0.013035 0.011738 -0.001090 -0.002303 -0.006185 9C 1f0 -0.001485 0.002580 0.001483 0.000205 0.000770 -0.000509 9C 1f+1 -0.000785 -0.000611 -0.002898 0.001303 0.000846 0.002043 9C 1f-1 -0.002411 0.001363 -0.002069 0.001427 0.000239 -0.003801 9C 1f+2 0.001767 0.001835 -0.000892 -0.001913 -0.000620 0.003890 9C 1f-2 -0.002144 0.001049 0.002190 0.001634 0.000431 -0.004504 9C 1f+3 -0.001496 0.004691 -0.004245 -0.000164 -0.001551 0.002432 9C 1f-3 -0.000517 -0.001000 -0.002641 0.000788 -0.000212 0.001898 10H 1s 0.014805 0.007481 -0.006975 -0.013980 -0.009970 -0.003955 10H 2s 0.012559 0.093555 -0.080981 -0.006285 -0.049800 -0.067025 10H 3s -0.271676 -0.074996 -0.081716 0.245018 0.638392 -0.657114 10H 1pz -0.012397 0.001386 -0.004832 0.009911 0.000057 0.006127 10H 1px -0.002613 -0.009446 0.008135 0.001472 0.007962 -0.002203 10H 1py -0.003569 0.007256 -0.000622 0.007921 -0.001923 -0.002485 11H 1s -0.009042 0.001658 -0.004346 -0.001113 -0.011014 0.001477 11H 2s -0.031863 -0.149016 -0.030443 -0.066022 0.001276 0.063005 11H 3s 0.115759 -0.461728 0.596102 -0.245445 0.303718 -0.527127 11H 1pz 0.000478 -0.013145 -0.005624 -0.002204 0.008113 0.013661 11H 1px 0.001067 -0.007366 -0.001345 -0.001889 0.000896 0.009205 11H 1py 0.005789 -0.003326 0.004591 -0.001986 0.004710 -0.001633 12H 1s -0.003558 0.000878 -0.011841 0.013741 0.008565 0.018527 12H 2s 0.072051 0.094201 -0.025522 0.034905 0.018413 0.036545 12H 3s 0.316743 -0.159342 0.598390 -0.252946 -0.062021 -1.087094 12H 1pz 0.005546 0.002560 0.008313 -0.009292 -0.009043 -0.013787 12H 1px 0.003966 -0.000500 0.001721 -0.004419 -0.001703 0.005039 12H 1py 0.003093 0.014321 -0.003878 0.001344 -0.007494 0.000799 13H 1s 0.012516 0.008902 0.004073 0.023372 0.006524 -0.014854 13H 2s -0.015496 0.047681 0.091855 0.097667 0.106388 -0.127735 13H 3s -0.264943 -0.124451 0.063121 -0.249947 0.472473 0.716214 13H 1pz -0.007640 0.003166 0.011969 0.000092 0.003337 -0.011819 13H 1px -0.002506 -0.007093 -0.003618 -0.004230 -0.000327 0.010242 13H 1py 0.009605 -0.000500 -0.000492 0.011410 0.003685 0.000618 14H 1s -0.018682 0.012685 0.004870 -0.001306 -0.015999 0.010196 14H 2s -0.090994 0.030586 0.093007 0.087723 -0.031274 0.056992 14H 3s 0.416973 -0.491959 -0.214085 0.359587 0.729904 0.143015 14H 1pz -0.005162 0.000867 0.011978 0.002979 0.006311 -0.008340 14H 1px -0.002550 0.003097 0.005222 0.003894 -0.004069 -0.002109 14H 1py -0.011926 0.007870 0.001691 -0.008461 -0.009357 0.006505 15H 1s 0.002144 0.004960 -0.002164 -0.004341 -0.002539 -0.010516 15H 2s 0.057368 0.064761 -0.171195 0.004301 -0.069206 0.041804 15H 3s 0.346765 -0.570364 -0.507652 0.001791 0.147016 0.617448 15H 1pz 0.001668 -0.004044 0.000120 0.004256 0.001558 0.006537 15H 1px 0.000994 0.001110 -0.006199 0.002715 -0.004758 0.006044 15H 1py -0.000240 -0.008656 0.013302 -0.003478 0.011252 -0.010121 16H 1s -0.040938 0.010435 -0.003870 0.012467 -0.044375 0.005413 16H 2s -0.340072 0.109287 -0.020700 0.070937 -0.581716 -0.030841 16H 3s 0.031108 -0.045175 0.014722 0.061242 0.341853 0.168336 16H 1pz -0.020127 0.009169 -0.002115 0.002755 -0.037618 -0.006388 16H 1px -0.008151 0.001523 0.001520 0.003321 0.005576 0.007790 16H 1py -0.005710 -0.000448 -0.001938 0.003855 -0.010206 -0.001831 17H 1s 0.039375 -0.009055 -0.008870 0.011848 0.040755 0.002081 17H 2s 0.343028 -0.032664 -0.069716 -0.011433 0.489649 -0.029539 17H 3s -0.155534 0.054476 -0.040715 0.155854 -0.268510 0.129745 17H 1pz -0.020713 0.004518 0.000767 -0.000143 -0.021020 0.000398 17H 1px -0.008302 0.001375 0.000456 0.010617 -0.022008 0.006557 17H 1py 0.009836 0.000290 -0.004043 0.000444 0.010856 -0.001709 18H 1s 0.039750 0.008735 0.008510 0.011393 -0.040939 -0.000185 18H 2s 0.337622 0.028384 0.073519 -0.014181 -0.485425 0.061530 18H 3s -0.137166 -0.054396 0.033065 0.156370 0.261271 -0.173830 18H 1pz 0.021039 0.004418 0.000977 -0.000169 -0.021215 0.001594 18H 1px 0.007356 0.001212 0.001118 -0.010503 -0.021313 0.009054 18H 1py -0.009127 0.000616 -0.004001 -0.000489 0.010031 -0.002197 19H 1s -0.040798 -0.010946 0.003415 0.013392 0.044200 -0.007564 19H 2s -0.342212 -0.116830 0.018015 0.078837 0.575567 -0.015900 19H 3s 0.042050 0.046417 -0.015965 0.060215 -0.336828 -0.142037 19H 1pz 0.020076 0.009520 -0.001877 -0.003148 -0.036753 -0.002607 19H 1px 0.007670 0.001394 0.001665 -0.003367 0.005504 0.006291 19H 1py 0.006329 -0.000003 -0.001999 -0.004453 -0.010857 -0.001074 20H 1s 0.002666 -0.004811 0.002170 -0.004413 0.002453 0.008355 20H 2s 0.058569 -0.064237 0.168521 0.009994 0.067031 -0.058338 20H 3s 0.353788 0.568236 0.507202 0.041520 -0.140938 -0.572829 20H 1pz -0.001617 -0.003980 0.000156 -0.004444 0.001514 0.005661 20H 1px -0.001164 0.001202 -0.006107 -0.002957 -0.004754 0.005943 20H 1py -0.000173 -0.008691 0.012985 0.003832 0.010956 -0.010482 21H 1s -0.018246 -0.012491 -0.004724 -0.001584 0.015864 -0.010644 21H 2s -0.084809 -0.031565 -0.095270 0.083043 0.029209 -0.059091 21H 3s 0.417724 0.487896 0.202231 0.374048 -0.721597 -0.108591 21H 1pz 0.005074 0.000951 0.012036 -0.002377 0.006392 -0.008189 21H 1px 0.002011 0.003130 0.005279 -0.003517 -0.003886 -0.001578 21H 1py 0.012028 0.007639 0.001321 0.008548 -0.009461 0.006359 22H 1s 0.011925 -0.009411 -0.004829 0.022801 -0.007042 0.014660 22H 2s -0.023134 -0.049486 -0.094017 0.091775 -0.110125 0.130892 22H 3s -0.273367 0.131482 -0.056917 -0.242211 -0.466680 -0.710654 22H 1pz 0.007833 0.003131 0.011810 0.000596 0.003365 -0.011836 22H 1px 0.002065 -0.007259 -0.003798 0.003846 -0.000576 0.009959 22H 1py -0.009642 -0.000267 -0.000102 -0.011325 0.003769 0.000729 23H 1s -0.003265 -0.001159 0.010949 0.013685 -0.008413 -0.019591 23H 2s 0.075905 -0.095906 0.020748 0.030097 -0.015881 -0.045017 23H 3s 0.310037 0.170042 -0.592983 -0.268355 0.062933 1.064880 23H 1pz -0.005373 0.002414 0.007808 0.009413 -0.009003 -0.013641 23H 1px -0.003825 -0.000533 0.001667 0.004571 -0.001830 0.005560 23H 1py -0.003494 0.014386 -0.003586 -0.001014 -0.007601 0.000613 24H 1s -0.009412 -0.001853 0.004697 -0.000813 0.010963 -0.003756 24H 2s -0.036790 0.147117 0.035857 -0.061377 0.000495 -0.076982 24H 3s 0.117428 0.468501 -0.583053 -0.265235 -0.305211 0.524381 24H 1pz -0.000137 -0.012968 -0.005835 0.001646 0.007926 0.012926 24H 1px -0.000804 -0.007194 -0.001582 0.001735 0.000635 0.009657 24H 1py -0.005895 -0.003567 0.004643 0.002299 0.004684 -0.001533 25H 1s 0.014294 -0.006995 0.007530 -0.013600 0.009989 0.006183 25H 2s 0.012178 -0.089446 0.081055 -0.003041 0.048019 0.102589 25H 3s -0.247350 0.070492 0.074852 0.243067 -0.642196 0.615301 25H 1pz 0.012283 0.001454 -0.004550 -0.010059 0.000209 0.005003 25H 1px 0.002414 -0.009302 0.008159 -0.001089 0.007888 -0.000269 25H 1py 0.003450 0.007155 -0.000083 -0.007822 -0.001686 -0.002749 26O 1s 0.000563 0.004346 -0.009788 0.000504 -0.001471 -0.000068 26O 2s 0.000382 0.010782 -0.024874 0.002504 -0.003137 0.001199 26O 3s 0.013797 -0.019113 0.052596 -0.025463 -0.002371 -0.027353 26O 4s -0.111414 -0.029165 0.006089 0.118870 0.046870 0.094393 26O 5s 0.946707 -0.273173 0.833170 -0.736555 0.268593 -0.174666 26O 1pz -0.035330 -0.005551 -0.054201 0.042755 0.030719 -0.036245 26O 1px -0.007493 0.039522 -0.121419 0.023421 -0.006612 0.001069 26O 1py -0.030449 0.057412 -0.050691 0.021599 0.071162 0.006871 26O 2pz -0.020811 0.015034 -0.062566 0.015675 0.005553 -0.053682 26O 2px -0.010630 0.047263 -0.125771 -0.000031 -0.036720 -0.033461 26O 2py -0.025047 0.047779 -0.063752 0.006661 0.066805 0.007725 26O 3pz -0.250729 -0.100363 -0.078998 0.355084 0.248159 0.010179 26O 3px -0.329587 0.147116 -0.553569 0.205034 -0.074914 -0.205020 26O 3py -0.339498 0.208720 -0.181149 0.148229 0.047907 -0.176636 26O 1dz2 -0.000272 -0.000316 0.003184 -0.000888 -0.000160 0.003421 26O 1dxz -0.000133 0.001257 0.000414 -0.000813 -0.000948 0.000404 26O 1dyz 0.001157 -0.000736 0.001109 -0.000250 -0.001024 0.000543 26O 1dx2y2 -0.000974 0.002312 -0.001780 -0.002492 -0.000020 -0.006058 26O 1dxy 0.000535 -0.000672 -0.002472 -0.000873 0.000535 -0.002270 26O 2dz2 -0.011350 0.000977 -0.000986 0.009089 0.004854 0.008680 26O 2dxz 0.005990 -0.001522 0.004551 -0.007266 0.012861 0.003972 26O 2dyz -0.003464 -0.001267 0.001531 0.000646 -0.005765 -0.004600 26O 2dx2y2 0.012620 0.001853 0.000848 -0.006525 0.011204 0.016401 26O 2dxy 0.020603 -0.002153 0.001441 -0.000387 0.014801 0.013950 26O 1f0 0.000359 -0.000575 0.000910 -0.000137 0.001512 0.001061 26O 1f+1 0.000538 0.000260 -0.000311 0.000302 -0.000015 0.001134 26O 1f-1 0.000090 0.000326 -0.000663 0.000392 0.000314 -0.000005 26O 1f+2 -0.000273 0.000024 -0.000041 -0.000010 -0.000968 -0.000382 26O 1f-2 -0.000660 0.000925 -0.001774 0.000488 -0.000111 0.000175 26O 1f+3 0.000233 0.000399 -0.000825 0.000139 0.000834 0.002164 26O 1f-3 0.001044 -0.000280 0.000917 -0.000172 0.000200 0.001358 27O 1s -0.004370 0.009057 0.004602 0.000983 -0.001306 0.000630 27O 2s -0.012049 0.023076 0.011481 0.001349 -0.004559 0.001582 27O 3s 0.043643 -0.049784 -0.021562 0.014934 0.032649 0.000050 27O 4s -0.083214 -0.003843 -0.026654 -0.119809 -0.096995 0.004769 27O 5s 0.505578 -0.701991 -0.279854 0.714425 0.168665 -0.019915 27O 1pz -0.022680 -0.007946 0.048598 -0.034735 -0.007710 0.048058 27O 1px -0.062885 0.121679 0.069329 -0.011834 -0.006655 0.016985 27O 1py 0.049449 -0.051886 -0.008537 0.035100 -0.053767 -0.017784 27O 2pz -0.014246 0.004318 0.041541 -0.019201 -0.020597 0.062988 27O 2px -0.021168 0.125737 0.065026 0.010477 0.015012 0.032626 27O 2py 0.010506 -0.059361 -0.022099 0.008881 -0.066968 0.000172 27O 3pz -0.140640 -0.106685 0.121788 -0.263412 0.114974 -0.001871 27O 3px -0.149397 0.518134 0.243461 -0.348927 0.332941 0.116460 27O 3py 0.394158 -0.106906 0.023607 0.339224 -0.172935 -0.247341 27O 1dz2 -0.002181 -0.001227 -0.000672 0.000161 -0.001884 -0.001910 27O 1dxz -0.001016 -0.000005 -0.001807 0.001148 -0.002480 -0.000229 27O 1dyz -0.000729 0.001059 0.001322 -0.001070 0.001074 -0.000054 27O 1dx2y2 0.000609 0.003880 0.000120 0.001304 0.005386 0.004291 27O 1dxy -0.001140 0.000223 -0.001020 -0.000529 -0.000862 0.000489 27O 2dz2 0.003534 -0.002336 -0.002915 -0.011112 0.023396 -0.008335 27O 2dxz -0.003416 -0.002306 -0.002611 0.004842 0.007570 0.004817 27O 2dyz 0.004674 0.000581 0.001218 0.008011 -0.004997 0.005934 27O 2dx2y2 0.001024 0.001218 -0.000230 0.012705 -0.010438 -0.020005 27O 2dxy -0.002559 0.004180 -0.000338 -0.003901 0.001452 -0.000657 27O 1f0 0.000612 -0.001121 -0.000512 0.000377 0.000790 -0.000615 27O 1f+1 -0.000092 -0.000546 -0.000050 0.000337 -0.001481 -0.000779 27O 1f-1 0.000071 0.000417 0.000229 -0.000000 -0.000272 0.000296 27O 1f+2 0.000087 0.000106 0.000062 0.000227 -0.001431 -0.000383 27O 1f-2 0.000635 -0.001062 -0.000689 0.000047 -0.000170 -0.000372 27O 1f+3 -0.000822 0.000934 0.000668 0.000190 -0.000465 -0.002108 27O 1f-3 -0.000146 0.001158 0.000592 -0.000440 0.001403 -0.000966 28O 1s -0.000057 0.004853 -0.007685 0.000352 -0.003818 -0.002185 28O 2s 0.001049 0.011986 -0.018990 0.000034 -0.010843 -0.005092 28O 3s -0.022132 -0.020717 0.031122 0.014215 0.044665 0.001263 28O 4s 0.090430 -0.039908 0.061727 -0.072566 -0.088328 0.041569 28O 5s -0.257877 -0.189430 0.381608 0.245839 0.400965 -0.109246 28O 1pz 0.039284 0.019151 -0.098305 -0.049326 0.008691 -0.056175 28O 1px -0.014955 -0.056083 0.070105 0.001086 0.021562 0.005482 28O 1py 0.035387 0.054510 0.000459 -0.017755 0.036024 -0.014204 28O 2pz -0.013630 0.023374 -0.111299 0.008003 0.013641 -0.070284 28O 2px -0.005449 -0.052694 0.070167 -0.005106 0.007367 0.011140 28O 2py 0.004669 0.057786 -0.004997 0.000434 0.029169 -0.011493 28O 3pz 0.340927 0.054029 -0.342234 -0.516415 0.299964 -0.110051 28O 3px 0.173491 -0.207102 0.419048 -0.166567 -0.128450 0.045837 28O 3py 0.379426 0.100449 0.001269 -0.203173 0.165346 -0.135011 28O 1dz2 0.001059 0.001168 0.001625 0.001409 -0.001255 -0.000123 28O 1dxz 0.002007 -0.000916 0.003451 -0.000332 -0.003631 0.003509 28O 1dyz -0.001909 -0.001561 0.000717 0.000464 -0.000226 0.001432 28O 1dx2y2 -0.001459 0.000427 -0.002603 0.002432 0.004252 -0.002634 28O 1dxy -0.000759 0.001282 0.000899 0.001029 -0.001389 -0.001202 28O 2dz2 0.002796 0.001310 0.002008 0.001603 0.013289 0.008512 28O 2dxz -0.001209 -0.001357 -0.004556 -0.006378 0.022475 0.006018 28O 2dyz 0.005881 -0.000479 -0.000430 -0.008450 -0.005993 -0.009273 28O 2dx2y2 -0.001060 0.000443 -0.001298 -0.002698 -0.002286 0.021398 28O 2dxy 0.006806 0.003285 -0.000968 -0.000947 -0.003816 -0.000490 28O 1f0 0.000207 0.000388 -0.000694 -0.000327 -0.001123 0.000379 28O 1f+1 0.000210 -0.000330 0.001074 0.000065 0.000234 0.000870 28O 1f-1 0.000847 0.000758 -0.001941 -0.000655 0.001413 0.000225 28O 1f+2 -0.000810 -0.000375 0.000500 0.000369 0.001471 -0.000601 28O 1f-2 0.000337 -0.000390 0.000797 -0.000365 -0.000814 -0.001391 28O 1f+3 -0.000294 -0.000240 0.000081 -0.000098 0.000588 -0.001422 28O 1f-3 0.000034 -0.000050 0.000127 0.000271 -0.000559 -0.000794 29O 1s 0.000760 0.000322 -0.001084 0.005100 -0.000699 0.004844 29O 2s 0.001661 0.000838 -0.002532 0.012457 -0.001603 0.011995 29O 3s 0.000059 -0.001707 0.001883 -0.022436 0.000048 -0.025214 29O 4s -0.018899 0.007229 0.013509 -0.026127 0.011546 -0.016534 29O 5s 0.024604 -0.076115 0.032839 -0.114086 0.038709 -0.098756 29O 1pz 0.008416 -0.001594 0.004795 -0.002053 -0.051978 0.014587 29O 1px 0.006147 -0.004814 0.009909 -0.027911 -0.023781 -0.046516 29O 1py -0.011556 -0.000541 0.022860 -0.087364 0.001248 -0.060991 29O 2pz -0.029195 0.020529 -0.002747 0.010060 -0.138741 0.029858 29O 2px -0.011714 -0.001587 0.014521 -0.053873 -0.054729 -0.104715 29O 2py -0.012781 -0.009837 0.016436 -0.127809 0.000865 -0.134863 29O 3pz -0.237623 -0.018033 0.065401 0.009920 -0.371196 -0.080866 29O 3px -0.062580 -0.010840 0.025988 0.118213 -0.121288 0.250598 29O 3py 0.030430 0.083621 0.021928 0.081352 0.021979 0.216389 29O 1dz2 -0.004984 0.001512 -0.000480 0.000096 -0.005028 -0.001149 29O 1dxz 0.004972 -0.001211 -0.000131 -0.000732 0.003944 -0.000978 29O 1dyz -0.005926 0.000975 0.000033 0.001633 -0.008308 -0.000096 29O 1dx2y2 0.001593 -0.000827 0.000050 0.000004 0.001148 -0.000011 29O 1dxy -0.002958 0.000782 0.001751 -0.002076 -0.003285 0.000677 29O 2dz2 0.001918 -0.000780 0.000445 0.000482 0.020378 0.004758 29O 2dxz -0.000071 -0.000125 0.000498 0.003310 -0.020457 -0.001048 29O 2dyz 0.010975 -0.001805 -0.002820 0.000946 0.024366 0.002654 29O 2dx2y2 -0.000951 0.000545 -0.000999 0.003378 -0.007712 0.003413 29O 2dxy 0.004647 0.000583 0.002181 -0.015344 0.009166 -0.007586 29O 1f0 -0.000474 0.000347 -0.000170 0.000125 -0.001700 -0.000230 29O 1f+1 -0.000399 0.000049 0.000185 -0.000137 -0.001530 -0.000161 29O 1f-1 -0.000720 0.000523 0.000112 -0.000796 -0.002452 -0.000977 29O 1f+2 0.000107 -0.000299 0.000202 -0.000190 0.001030 0.000089 29O 1f-2 0.001388 -0.000144 -0.000165 -0.000891 0.003047 -0.000450 29O 1f+3 -0.000334 -0.000005 -0.000318 0.001004 -0.001006 0.000286 29O 1f-3 -0.000711 -0.000045 -0.000054 0.000475 -0.001473 0.000203 30O 1s -0.002144 0.009530 0.002611 -0.001816 -0.000241 -0.002165 30O 2s -0.004359 0.023722 0.006324 -0.003326 -0.000549 -0.006551 30O 3s -0.005593 -0.041885 -0.008281 -0.014020 0.000812 0.033739 30O 4s 0.103442 -0.050656 -0.042881 0.097725 -0.005598 -0.055116 30O 5s -0.719049 -0.665537 -0.049405 -0.221410 0.399790 0.184919 30O 1pz 0.004659 0.042309 0.075592 0.055203 0.028724 0.009189 30O 1px 0.024422 -0.076073 -0.022350 -0.011170 0.009461 0.035681 30O 1py -0.025903 -0.087446 -0.014135 -0.045570 -0.067772 0.005883 30O 2pz 0.002245 0.051772 0.074794 0.010138 0.022464 0.024960 30O 2px 0.006629 -0.081915 -0.016984 -0.003433 0.022822 0.018682 30O 2py 0.000714 -0.103905 -0.021082 0.018638 -0.050927 0.001978 30O 3pz 0.180219 0.269961 0.211398 0.371739 -0.000745 0.099995 30O 3px 0.033257 -0.483526 -0.111686 0.304483 0.143662 -0.148502 30O 3py -0.469180 -0.313577 -0.043308 -0.478595 -0.105454 -0.203883 30O 1dz2 0.001818 0.000308 -0.001490 0.000680 -0.000831 -0.000374 30O 1dxz 0.000715 -0.003754 -0.000102 0.001116 0.000685 -0.004817 30O 1dyz 0.000057 -0.000941 0.001074 0.003003 0.000168 -0.001786 30O 1dx2y2 -0.000103 0.002371 0.000004 -0.002409 0.001291 0.003787 30O 1dxy 0.000380 0.002842 0.001559 -0.000247 0.001700 0.002646 30O 2dz2 0.002702 -0.000566 -0.003312 -0.005852 0.010302 -0.006128 30O 2dxz 0.011072 0.002057 0.001475 0.004076 -0.000628 -0.001260 30O 2dyz 0.002599 0.004416 0.001115 -0.007594 -0.016782 0.020611 30O 2dx2y2 -0.002395 0.000588 -0.001146 0.003052 0.005238 -0.016344 30O 2dxy -0.019000 -0.007797 -0.000356 -0.001277 0.014978 -0.010602 30O 1f0 -0.000599 -0.001158 -0.000451 -0.000305 -0.000598 -0.000799 30O 1f+1 -0.000261 -0.000331 -0.000035 0.000062 0.001252 -0.001371 30O 1f-1 0.000115 -0.000970 -0.000592 -0.000459 0.000554 -0.000429 30O 1f+2 0.000158 -0.001712 -0.001171 -0.001329 -0.000031 0.000906 30O 1f-2 0.000277 0.000879 0.000082 -0.000601 -0.001208 0.001946 30O 1f+3 -0.000035 -0.000493 0.000032 0.000367 0.000044 0.001032 30O 1f-3 0.000411 -0.000489 -0.000573 -0.000631 0.000096 0.001215 31O 1s -0.001971 -0.009548 -0.002479 -0.002202 0.000380 0.001723 31O 2s -0.003927 -0.023797 -0.006040 -0.004295 0.000882 0.005398 31O 3s -0.006477 0.042535 0.008494 -0.012133 -0.001150 -0.030497 31O 4s 0.104055 0.048219 0.039057 0.099720 0.004643 0.053317 31O 5s -0.732977 0.676164 0.052714 -0.200232 -0.418304 -0.207389 31O 1pz -0.003260 0.043786 0.077183 -0.050539 0.029578 0.015273 31O 1px -0.023902 -0.076195 -0.022598 0.008466 0.009248 0.026750 31O 1py 0.024537 -0.088691 -0.015684 0.042279 -0.068622 -0.001518 31O 2pz -0.001611 0.052346 0.074580 -0.005326 0.022427 0.029407 31O 2px -0.006026 -0.082101 -0.016960 0.001052 0.023424 0.013080 31O 2py -0.000752 -0.103749 -0.020062 -0.022074 -0.049656 -0.002160 31O 3pz -0.173828 0.278184 0.225460 -0.357759 0.001632 0.101226 31O 3px -0.026731 -0.476964 -0.099033 -0.318074 0.154132 -0.157753 31O 3py 0.455767 -0.324925 -0.061218 0.467910 -0.115642 -0.220278 31O 1dz2 0.001776 -0.000320 0.001465 0.000718 0.000792 0.000412 31O 1dxz 0.000707 0.003723 0.000062 0.001173 -0.000732 0.004800 31O 1dyz -0.000007 0.000878 -0.001188 0.002973 -0.000234 0.001586 31O 1dx2y2 -0.000056 -0.002325 0.000083 -0.002453 -0.001243 -0.004130 31O 1dxy 0.000431 -0.002832 -0.001545 -0.000366 -0.001679 -0.002658 31O 2dz2 0.002664 0.000657 0.003520 -0.005705 -0.010135 0.006525 31O 2dxz 0.011100 -0.002282 -0.001697 0.004065 0.000965 0.002427 31O 2dyz 0.002732 -0.004346 -0.000764 -0.007595 0.017282 -0.019437 31O 2dx2y2 -0.001989 -0.000623 0.000978 0.003002 -0.005348 0.015111 31O 2dxy -0.018850 0.007948 0.000358 -0.001248 -0.015169 0.010019 31O 1f0 0.000586 -0.001170 -0.000466 0.000267 -0.000602 -0.000843 31O 1f+1 0.000272 -0.000331 -0.000030 -0.000065 0.001255 -0.001376 31O 1f-1 -0.000129 -0.000976 -0.000598 0.000418 0.000543 -0.000446 31O 1f+2 -0.000194 -0.001730 -0.001219 0.001234 -0.000077 0.000788 31O 1f-2 -0.000299 0.000872 0.000057 0.000609 -0.001248 0.001904 31O 1f+3 0.000074 -0.000484 0.000047 -0.000378 0.000061 0.000993 31O 1f-3 -0.000436 -0.000491 -0.000598 0.000585 0.000062 0.001156 32O 1s 0.000802 -0.000420 0.000912 0.005146 0.000572 -0.004021 32O 2s 0.001794 -0.001067 0.002110 0.012563 0.001299 -0.009994 32O 3s -0.000713 0.001884 -0.001051 -0.022486 0.000372 0.021984 32O 4s -0.017097 -0.006497 -0.012739 -0.026706 -0.010236 0.006339 32O 5s 0.022634 0.082495 -0.030537 -0.116253 -0.036687 0.108686 32O 1pz -0.008931 -0.001260 0.004443 0.000481 -0.052070 0.020384 32O 1px -0.004663 -0.005029 0.008655 0.027264 -0.024167 -0.046297 32O 1py 0.013852 -0.002249 0.019416 0.088542 -0.001095 -0.060358 32O 2pz 0.028408 0.021339 -0.002495 -0.013347 -0.137979 0.042679 32O 2px 0.013387 -0.002180 0.012442 0.052834 -0.055388 -0.096726 32O 2py 0.017713 -0.011538 0.011248 0.128268 -0.004526 -0.132657 32O 3pz 0.237162 -0.016828 0.067729 -0.011567 -0.367994 -0.046306 32O 3px 0.059914 -0.012344 0.031446 -0.117880 -0.114208 0.230076 32O 3py -0.025484 0.088986 0.024701 -0.080112 0.015058 0.215483 32O 1dz2 -0.004756 -0.001517 0.000494 0.000140 0.004638 0.000746 32O 1dxz 0.005085 0.001211 0.000202 -0.000788 -0.004100 0.001013 32O 1dyz -0.006005 -0.001060 -0.000124 0.001730 0.008363 -0.000493 32O 1dx2y2 0.001761 0.000877 -0.000030 -0.000027 -0.001373 0.000208 32O 1dxy -0.002818 -0.000668 -0.001677 -0.002145 0.003121 -0.000756 32O 2dz2 0.001445 0.000833 -0.000484 0.000433 -0.018708 -0.002641 32O 2dxz -0.000059 0.000135 -0.000753 0.003610 0.020570 -0.001881 32O 2dyz 0.011156 0.001926 0.002882 0.000874 -0.024477 -0.000568 32O 2dx2y2 -0.000920 -0.000684 0.000862 0.003668 0.008165 -0.003992 32O 2dxy 0.003637 -0.000554 -0.001454 -0.015269 -0.008197 0.008155 32O 1f0 0.000458 0.000354 -0.000173 -0.000199 -0.001570 -0.000026 32O 1f+1 0.000423 0.000029 0.000203 0.000114 -0.001564 0.000011 32O 1f-1 0.000789 0.000546 0.000074 0.000781 -0.002463 -0.000753 32O 1f+2 -0.000101 -0.000334 0.000199 0.000153 0.001017 0.000001 32O 1f-2 -0.001317 -0.000150 -0.000206 0.000928 0.002998 -0.000754 32O 1f+3 0.000229 -0.000006 -0.000275 -0.000988 -0.000867 0.000373 32O 1f-3 0.000699 -0.000032 -0.000039 -0.000516 -0.001470 0.000308 33O 1s -0.000459 -0.004792 0.007667 0.000629 0.003797 0.001651 33O 2s 0.000017 -0.011830 0.018986 0.000739 0.010798 0.003746 33O 3s -0.019697 0.020296 -0.031780 0.012686 -0.044739 0.001209 33O 4s 0.088995 0.040073 -0.058198 -0.072709 0.088600 -0.045004 33O 5s -0.213543 0.183793 -0.396367 0.226316 -0.389940 0.221024 33O 1pz -0.038638 0.017692 -0.100531 0.045568 0.008449 -0.053443 33O 1px 0.013172 -0.055992 0.069973 0.000621 0.021392 -0.003049 33O 1py -0.034757 0.054099 -0.000381 0.018652 0.036328 -0.013916 33O 2pz 0.014911 0.022631 -0.111092 -0.011955 0.014700 -0.064438 33O 2px 0.003030 -0.052880 0.069935 0.006909 0.006889 0.001089 33O 2py -0.004043 0.057755 -0.005032 -0.000125 0.029500 -0.010419 33O 3pz -0.333927 0.045323 -0.365574 0.504863 0.296033 -0.075524 33O 3px -0.185988 -0.209878 0.412614 0.177350 -0.135766 -0.026081 33O 3py -0.378002 0.096911 -0.008324 0.208639 0.165336 -0.133355 33O 1dz2 0.001032 -0.001196 -0.001690 0.001315 0.001236 0.000390 33O 1dxz 0.002036 0.000936 -0.003436 -0.000418 0.003631 -0.003155 33O 1dyz -0.001923 0.001553 -0.000734 0.000483 0.000232 -0.001140 33O 1dx2y2 -0.001526 -0.000481 0.002499 0.002494 -0.004316 0.002029 33O 1dxy -0.000715 -0.001302 -0.000942 0.000986 0.001364 0.000923 33O 2dz2 0.002747 -0.001296 -0.002137 0.001466 -0.013317 -0.006972 33O 2dxz -0.001763 0.001491 0.004917 -0.006284 -0.022736 -0.008455 33O 2dyz 0.005897 0.000652 0.000792 -0.008329 0.006139 0.010477 33O 2dx2y2 -0.000802 -0.000346 0.001242 -0.002663 0.002539 -0.020864 33O 2dxy 0.006641 -0.003342 0.001099 -0.000952 0.003642 -0.001155 33O 1f0 -0.000217 0.000382 -0.000709 0.000304 -0.001144 0.000325 33O 1f+1 -0.000225 -0.000327 0.001079 -0.000042 0.000232 0.000657 33O 1f-1 -0.000838 0.000750 -0.001970 0.000608 0.001397 0.000233 33O 1f+2 0.000845 -0.000367 0.000510 -0.000355 0.001491 -0.000395 33O 1f-2 -0.000360 -0.000395 0.000781 0.000382 -0.000833 -0.001519 33O 1f+3 0.000288 -0.000241 0.000073 0.000098 0.000597 -0.001381 33O 1f-3 -0.000054 -0.000048 0.000139 -0.000264 -0.000567 -0.000893 34O 1s -0.004094 -0.009063 -0.004629 0.000628 0.001252 -0.001813 34O 2s -0.011353 -0.023053 -0.011513 0.000471 0.004412 -0.004512 34O 3s 0.042175 0.049166 0.021074 0.016415 -0.032129 0.005518 34O 4s -0.083427 0.007441 0.030501 -0.117065 0.097036 0.003487 34O 5s 0.490929 0.678074 0.254179 0.733531 -0.179717 -0.025388 34O 1pz 0.023563 -0.008895 0.046825 0.035967 -0.007911 0.045684 34O 1px 0.062492 0.121314 0.068623 0.017471 -0.006324 0.030949 34O 1py -0.050682 -0.050892 -0.007507 -0.036791 -0.053279 -0.018877 34O 2pz 0.015011 0.003807 0.040120 0.020334 -0.020624 0.060522 34O 2px 0.020214 0.125797 0.064952 -0.004886 0.015299 0.043509 34O 2py -0.011275 -0.059215 -0.021909 -0.011468 -0.066221 -0.002935 34O 3pz 0.145513 -0.113550 0.112526 0.265899 0.113159 -0.009911 34O 3px 0.147166 0.508678 0.229698 0.371825 0.319046 0.102673 34O 3py -0.400487 -0.096738 0.034548 -0.340523 -0.169092 -0.208941 34O 1dz2 -0.002179 0.001227 0.000651 0.000226 0.001856 0.002024 34O 1dxz -0.001089 -0.000007 0.001745 0.001223 0.002443 0.000407 34O 1dyz -0.000766 -0.001026 -0.001280 -0.001151 -0.001089 0.000024 34O 1dx2y2 0.000601 -0.003908 -0.000171 0.001185 -0.005322 -0.004341 34O 1dxy -0.001181 -0.000222 0.001040 -0.000493 0.000896 -0.000547 34O 2dz2 0.003833 0.002595 0.003290 -0.011023 -0.023049 0.009854 34O 2dxz -0.003242 0.002235 0.002388 0.004966 -0.007650 -0.004036 34O 2dyz 0.004448 -0.000805 -0.001467 0.007977 0.004867 -0.005907 34O 2dx2y2 0.000829 -0.001592 -0.000267 0.012737 0.010017 0.017444 34O 2dxy -0.002604 -0.004054 0.000465 -0.004007 -0.001166 0.002083 34O 1f0 -0.000637 -0.001109 -0.000494 -0.000424 0.000786 -0.000666 34O 1f+1 0.000108 -0.000541 -0.000041 -0.000358 -0.001450 -0.000729 34O 1f-1 -0.000056 0.000415 0.000232 0.000019 -0.000280 0.000290 34O 1f+2 -0.000076 0.000113 0.000065 -0.000227 -0.001431 -0.000341 34O 1f-2 -0.000668 -0.001056 -0.000681 -0.000107 -0.000177 -0.000357 34O 1f+3 0.000843 0.000927 0.000683 -0.000136 -0.000430 -0.002034 34O 1f-3 0.000146 0.001144 0.000573 0.000503 0.001378 -0.000999 35O 1s 0.000521 -0.004331 0.009755 0.000791 0.001398 -0.001368 35O 2s 0.000293 -0.010783 0.024735 0.003221 0.002969 -0.004636 35O 3s 0.013783 0.019754 -0.051397 -0.026788 0.002447 0.031346 35O 4s -0.109772 0.025381 -0.011389 0.118126 -0.046241 -0.078286 35O 5s 0.929679 0.289515 -0.800174 -0.763189 -0.251343 0.209394 35O 1pz 0.033527 -0.004658 -0.052302 -0.044601 0.030979 -0.038353 35O 1px 0.008242 0.040140 -0.120321 -0.027164 -0.006615 0.014448 35O 1py 0.030824 0.057834 -0.049484 -0.021229 0.070228 0.009061 35O 2pz 0.019674 0.015193 -0.061911 -0.018036 0.006498 -0.050917 35O 2px 0.010850 0.047320 -0.125610 -0.004212 -0.035802 -0.016443 35O 2py 0.025830 0.047607 -0.063483 -0.007137 0.066202 0.014739 35O 3pz 0.239226 -0.091877 -0.063059 -0.356269 0.244801 -0.044222 35O 3px 0.325339 0.151298 -0.544765 -0.225775 -0.067449 -0.153909 35O 3py 0.331934 0.212408 -0.172693 -0.150535 0.047778 -0.198291 35O 1dz2 -0.000328 0.000340 -0.003157 -0.001023 0.000220 -0.002997 35O 1dxz -0.000122 -0.001253 -0.000388 -0.000871 0.000995 -0.000153 35O 1dyz 0.001184 0.000742 -0.001092 -0.000280 0.000999 -0.000645 35O 1dx2y2 -0.000998 -0.002262 0.001873 -0.002448 0.000017 0.005463 35O 1dxy 0.000511 0.000682 0.002514 -0.000738 -0.000587 0.001882 35O 2dz2 -0.011010 -0.001196 0.000515 0.009240 -0.005132 -0.008607 35O 2dxz 0.006001 0.001672 -0.004236 -0.007482 -0.012616 -0.003021 35O 2dyz -0.003298 0.001186 -0.001558 0.000524 0.005948 0.004641 35O 2dx2y2 0.011949 -0.001720 -0.000564 -0.006737 -0.010871 -0.016302 35O 2dxy 0.020209 0.002132 -0.001436 -0.000620 -0.014505 -0.013735 35O 1f0 -0.000362 -0.000576 0.000901 0.000170 0.001506 0.000988 35O 1f+1 -0.000523 0.000265 -0.000303 -0.000298 -0.000035 0.000996 35O 1f-1 -0.000090 0.000340 -0.000645 -0.000403 0.000292 -0.000124 35O 1f+2 0.000285 0.000019 -0.000042 0.000004 -0.000949 -0.000244 35O 1f-2 0.000669 0.000930 -0.001751 -0.000544 -0.000108 0.000167 35O 1f+3 -0.000204 0.000407 -0.000820 -0.000160 0.000819 0.002113 35O 1f-3 -0.001015 -0.000285 0.000912 0.000219 0.000172 0.001213 174 175 176 177 178 179 0.36673 0.37424 0.38552 0.38951 0.39060 0.39345 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s 0.003109 -0.000344 -0.001879 -0.003755 -0.000658 -0.000737 0Rh 2s -0.011830 0.001363 0.007578 0.009636 0.002848 0.002942 0Rh 3s 0.010775 -0.001159 -0.006250 -0.015904 -0.002065 -0.002469 0Rh 4s 0.052407 -0.006074 -0.033769 -0.040664 -0.012787 -0.013096 0Rh 5s -0.042348 0.005474 0.030043 -0.005780 0.013117 0.011520 0Rh 6s -0.099539 0.008851 0.056973 0.227854 0.014000 0.022175 0Rh 7s 0.547092 0.003929 -0.066907 -0.925946 0.013242 -0.262190 0Rh 8s -0.050355 -0.047047 -0.503707 -0.658021 -0.169340 0.169994 0Rh 1pz 0.000726 -0.012415 0.001043 -0.004374 -0.005863 -0.005391 0Rh 1px -0.013223 -0.002385 -0.003162 0.000408 -0.002831 0.004698 0Rh 1py -0.001552 -0.001198 -0.004514 -0.002607 0.005127 -0.005904 0Rh 2pz -0.002624 0.043238 -0.003652 0.014851 0.020307 0.018212 0Rh 2px 0.045745 0.008270 0.011264 -0.000786 0.009843 -0.016069 0Rh 2py 0.005296 0.004023 0.015605 0.009056 -0.017286 0.020275 0Rh 3pz 0.004830 -0.048312 0.004285 -0.009278 -0.020378 -0.009505 0Rh 3px -0.045587 -0.008593 -0.016898 -0.010995 -0.010483 0.012688 0Rh 3py -0.003865 -0.001628 -0.015096 -0.009597 0.008325 -0.016882 0Rh 4pz -0.006680 -0.019908 0.002390 -0.035432 -0.018883 -0.050911 0Rh 4px -0.041856 -0.005646 0.007969 0.045391 -0.007804 0.025290 0Rh 4py -0.010239 -0.012995 -0.017314 -0.006521 0.051496 -0.033431 0Rh 5pz 0.023597 -0.097085 -0.005049 0.030657 -0.023059 0.050411 0Rh 5px -0.055553 -0.020621 -0.025729 -0.088218 -0.007035 0.016588 0Rh 5py 0.004501 0.013632 -0.003973 -0.009804 -0.055973 0.018931 0Rh 6pz 0.129081 1.738538 0.114275 -0.174966 0.661038 -0.061829 0Rh 6px 0.560340 0.518522 -0.034730 0.778728 0.225048 -0.413248 0Rh 6py -0.076582 0.092514 0.174619 0.208658 0.014309 0.077349 0Rh 1dz2 -0.000921 -0.008544 0.001130 0.006751 -0.004514 -0.002783 0Rh 1dxz 0.006923 0.014343 -0.001673 0.002513 0.006533 0.008712 0Rh 1dyz 0.003351 0.006060 -0.001932 -0.007857 0.003252 -0.003932 0Rh 1dx2y2 0.000061 0.005842 -0.000794 -0.001644 0.006878 -0.000094 0Rh 1dxy -0.005477 0.004627 0.007718 0.012010 -0.008874 0.010146 0Rh 2dz2 0.000249 0.001368 -0.000515 -0.001177 0.000323 0.000212 0Rh 2dxz -0.000690 -0.001335 -0.000429 -0.001663 -0.001031 -0.002026 0Rh 2dyz -0.000092 0.000633 0.000381 0.000211 -0.000589 -0.000001 0Rh 2dx2y2 -0.000217 -0.000327 0.001085 0.002014 -0.000851 0.000610 0Rh 2dxy 0.000221 0.000059 -0.000566 -0.000119 0.001658 -0.001799 0Rh 3dz2 0.000613 0.010031 0.000078 -0.007501 0.006949 0.004250 0Rh 3dxz -0.009892 -0.020864 0.004890 0.002400 -0.007777 -0.007688 0Rh 3dyz -0.005762 -0.013756 0.001983 0.013631 -0.003573 0.007286 0Rh 3dx2y2 0.000849 -0.009371 -0.003108 -0.005543 -0.009169 -0.002389 0Rh 3dxy 0.009164 -0.008744 -0.011900 -0.021708 0.009509 -0.011290 0Rh 4dz2 0.005496 0.028760 -0.008308 -0.024521 0.010125 0.006032 0Rh 4dxz -0.016534 -0.034800 -0.003797 -0.027217 -0.021704 -0.038080 0Rh 4dyz -0.005159 0.002609 0.007840 0.012098 -0.011619 0.003921 0Rh 4dx2y2 -0.004656 -0.010899 0.016224 0.031605 -0.019422 0.008992 0Rh 4dxy 0.009044 -0.004330 -0.016827 -0.015914 0.032906 -0.036462 0Rh 5dz2 -0.032594 -0.033037 0.023680 0.042757 0.000466 0.007787 0Rh 5dxz -0.019832 0.000026 0.029475 0.114413 0.030668 0.098425 0Rh 5dyz -0.014381 -0.081056 -0.019860 0.023576 0.017159 0.032923 0Rh 5dx2y2 0.054207 -0.020601 -0.064708 -0.145636 0.012805 -0.056366 0Rh 5dxy 0.028415 -0.032154 0.001502 -0.049348 -0.060903 0.063677 0Rh 1f0 0.001239 0.005028 0.000714 -0.002045 -0.002561 -0.002607 0Rh 1f+1 -0.001174 0.001259 -0.000218 0.002054 0.000844 0.000659 0Rh 1f-1 0.001263 -0.001622 -0.001984 -0.001037 -0.005216 0.003457 0Rh 1f+2 -0.001515 0.005180 -0.000993 0.003084 -0.002662 -0.002866 0Rh 1f-2 -0.000276 -0.003434 -0.001698 -0.000540 -0.003702 -0.000049 0Rh 1f+3 -0.001004 -0.001491 -0.001609 0.002225 0.001576 0.002888 0Rh 1f-3 -0.000754 0.002608 -0.001078 0.000132 -0.000796 0.000459 1Rh 1s 0.003208 -0.000204 -0.001707 0.003813 -0.000660 -0.000947 1Rh 2s -0.012094 0.001001 0.007136 -0.009893 0.002938 0.003492 1Rh 3s 0.011185 -0.000570 -0.005521 0.016080 -0.002025 -0.003350 1Rh 4s 0.053526 -0.004547 -0.031905 0.041820 -0.013227 -0.015427 1Rh 5s -0.042319 0.005658 0.030315 0.004567 0.014177 0.011352 1Rh 6s -0.105261 0.000441 0.046490 -0.229115 0.011951 0.034601 1Rh 7s 0.575177 0.039120 -0.025156 0.913765 0.027372 -0.314610 1Rh 8s -0.178846 -0.082148 -0.468299 0.691016 -0.146548 0.142228 1Rh 1pz -0.000922 0.012399 -0.001226 -0.004472 0.006026 0.005899 1Rh 1px 0.013270 0.002430 0.003174 -0.000029 0.002810 -0.004431 1Rh 1py 0.000251 0.000812 0.004411 -0.002634 -0.005106 0.005057 1Rh 2pz 0.003284 -0.043192 0.004277 0.015218 -0.020863 -0.019955 1Rh 2px -0.045898 -0.008398 -0.011275 0.000740 -0.009765 0.015113 1Rh 2py -0.000888 -0.002739 -0.015249 0.009148 0.017209 -0.017343 1Rh 3pz -0.005155 0.048423 -0.004701 -0.010224 0.020801 0.010942 1Rh 3px 0.045599 0.008245 0.016343 -0.012731 0.010270 -0.011136 1Rh 3py 0.001309 0.001381 0.014732 -0.009667 -0.008169 0.014042 1Rh 4pz 0.004829 0.019279 -0.003756 -0.033460 0.019930 0.053799 1Rh 4px 0.042443 0.007531 -0.005823 0.044746 0.008219 -0.026658 1Rh 4py -0.000903 0.007809 0.016999 -0.006687 -0.051722 0.030279 1Rh 5pz -0.022059 0.098143 0.005957 0.024725 0.022550 -0.051748 1Rh 5px 0.055625 0.017626 0.021549 -0.091338 0.006135 -0.011040 1Rh 5py 0.005214 -0.006552 0.003793 -0.009822 0.056651 -0.020847 1Rh 6pz -0.133461 -1.744111 -0.116342 -0.106381 -0.665342 0.068597 1Rh 6px -0.600993 -0.511764 0.070501 0.813372 -0.211575 0.352334 1Rh 6py 0.009869 -0.155159 -0.168286 0.210101 -0.020349 -0.047785 1Rh 1dz2 -0.001409 -0.008746 0.000858 -0.006787 -0.004036 -0.002451 1Rh 1dxz 0.008545 0.014589 -0.001931 -0.002210 0.006619 0.008384 1Rh 1dyz 0.001827 0.005513 -0.001590 0.007678 0.003025 -0.004244 1Rh 1dx2y2 -0.001739 0.004887 -0.000795 0.001634 0.006775 -0.000165 1Rh 1dxy -0.000296 0.006780 0.007163 -0.012153 -0.008815 0.010106 1Rh 2dz2 0.000316 0.001401 -0.000462 0.001181 0.000323 0.000165 1Rh 2dxz -0.000674 -0.001283 -0.000353 0.001641 -0.001036 -0.002101 1Rh 2dyz -0.000030 0.000671 0.000371 -0.000232 -0.000586 -0.000000 1Rh 2dx2y2 -0.000263 -0.000402 0.000989 -0.002020 -0.000839 0.000675 1Rh 2dxy -0.000005 -0.000074 -0.000560 0.000094 0.001658 -0.001706 1Rh 3dz2 0.001228 0.010264 0.000357 0.007549 0.006071 0.003831 1Rh 3dxz -0.012938 -0.021538 0.005043 -0.002865 -0.007914 -0.006764 1Rh 3dyz -0.003221 -0.012902 0.001392 -0.013216 -0.003172 0.007864 1Rh 3dx2y2 0.004338 -0.007301 -0.002698 0.005588 -0.009031 -0.002538 1Rh 3dxy 0.000589 -0.012155 -0.010895 0.022079 0.009402 -0.011608 1Rh 4dz2 0.007048 0.029521 -0.007241 0.024603 0.009512 0.004981 1Rh 4dxz -0.018245 -0.034320 -0.002381 0.026493 -0.021890 -0.038798 1Rh 4dyz -0.002469 0.003762 0.007315 -0.012238 -0.011291 0.004226 1Rh 4dx2y2 -0.003152 -0.010830 0.014828 -0.031684 -0.019107 0.010054 1Rh 4dxy -0.000279 -0.008679 -0.016090 0.015724 0.032830 -0.035106 1Rh 5dz2 -0.034548 -0.034812 0.021511 -0.042585 -0.001232 0.009138 1Rh 5dxz -0.028903 -0.005141 0.025008 -0.112723 0.031348 0.106106 1Rh 5dyz -0.010654 -0.080318 -0.021057 -0.020265 0.017925 0.035273 1Rh 5dx2y2 0.066245 -0.010472 -0.057619 0.145512 0.011490 -0.061053 1Rh 5dxy 0.016049 -0.035473 0.003646 0.051607 -0.061521 0.056971 1Rh 1f0 -0.001773 -0.005268 -0.000798 -0.001661 0.002577 0.002437 1Rh 1f+1 0.001132 -0.001171 0.000272 0.002264 -0.000871 -0.000911 1Rh 1f-1 -0.001956 0.001453 0.001937 -0.001339 0.005220 -0.003549 1Rh 1f+2 0.001595 -0.005098 0.001172 0.003208 0.002631 0.002601 1Rh 1f-2 -0.000211 0.003288 0.001655 -0.000609 0.003681 -0.000047 1Rh 1f+3 0.001412 0.001714 0.001678 0.002009 -0.001534 -0.002957 1Rh 1f-3 0.000699 -0.002613 0.001088 0.000093 0.000798 -0.000502 2C 1s -0.002489 0.017095 -0.007461 -0.001665 -0.009611 -0.007671 2C 2s -0.005957 0.037613 -0.019751 -0.007231 -0.019255 -0.016585 2C 3s 0.019016 -0.044894 0.138914 0.135694 -0.044236 0.006870 2C 4s 0.028507 -0.450034 -0.514739 -0.757474 0.653173 0.280650 2C 5s -2.564329 0.346485 1.506657 2.063017 -1.985928 0.074174 2C 1pz 0.009659 -0.094130 0.124771 0.089063 0.006666 0.043900 2C 1px -0.026974 -0.026680 0.035857 0.007007 0.014298 -0.043741 2C 1py 0.010230 -0.049740 0.083999 0.047598 -0.012762 -0.001322 2C 2pz 0.019340 -0.038629 0.085115 0.058643 -0.011054 0.143333 2C 2px -0.153737 -0.109199 0.067790 -0.045183 0.055203 -0.329058 2C 2py -0.003351 -0.004232 0.058123 -0.022748 -0.065667 -0.059138 2C 3pz -0.853900 0.246788 -0.569761 -0.516409 0.073316 -0.137542 2C 3px -0.264306 -0.347027 -0.111562 -0.063952 -0.342422 0.609542 2C 3py -0.650606 0.032717 -0.439378 -0.471657 0.113900 0.270715 2C 1dz2 0.000376 0.000121 -0.001236 -0.001183 -0.000057 0.003940 2C 1dxz -0.003440 -0.002411 0.000180 -0.000296 0.003173 -0.006671 2C 1dyz 0.002266 0.002017 -0.001965 -0.000686 -0.000535 0.002134 2C 1dx2y2 0.002224 0.002018 -0.000543 0.000308 0.001206 0.003136 2C 1dxy -0.000782 0.000166 -0.000483 -0.001566 0.000254 -0.005307 2C 2dz2 0.000228 0.075528 -0.086308 -0.065935 -0.016282 0.019070 2C 2dxz -0.009942 0.026725 -0.047019 -0.045864 0.021127 -0.024307 2C 2dyz -0.006366 0.088445 -0.119543 -0.095543 -0.019307 -0.047021 2C 2dx2y2 -0.004505 -0.039059 0.039583 0.008368 0.011586 -0.022288 2C 2dxy 0.003352 0.013340 -0.024935 -0.021423 0.021165 -0.028127 2C 1f0 -0.002246 -0.000410 -0.002512 -0.004555 0.000818 -0.003731 2C 1f+1 -0.001284 -0.000844 -0.003086 -0.002467 0.000772 -0.003194 2C 1f-1 0.002273 0.008852 -0.013228 -0.011063 0.001860 0.002533 2C 1f+2 0.002678 0.002004 0.007421 0.009000 -0.005007 0.002753 2C 1f-2 -0.001067 -0.002617 -0.007080 -0.008139 0.005878 0.002185 2C 1f+3 0.001168 0.006661 0.000073 0.001762 -0.005167 -0.004183 2C 1f-3 -0.002100 -0.000944 0.000145 -0.000218 -0.000827 -0.005908 3C 1s -0.005050 -0.017543 -0.013016 0.000005 0.000350 -0.001649 3C 2s -0.011371 -0.037048 -0.032837 0.000527 -0.000703 -0.001304 3C 3s 0.015779 -0.005367 0.188568 -0.014518 0.051147 -0.087102 3C 4s 0.152058 0.745581 -0.593680 0.086252 -0.315104 0.603803 3C 5s -2.305679 -0.525261 1.667325 -0.868834 1.709953 -1.516309 3C 1pz 0.035590 0.020349 0.083126 0.002603 0.031695 -0.015256 3C 1px 0.001309 0.038604 0.077374 -0.006727 -0.044046 -0.026033 3C 1py -0.006794 -0.063671 -0.178299 0.016187 -0.055072 0.066140 3C 2pz 0.103372 -0.024360 -0.030817 0.016661 0.140170 0.064124 3C 2px -0.047562 0.067735 0.110253 -0.015883 -0.369997 -0.040740 3C 2py 0.023329 -0.033278 -0.108512 0.050397 -0.157573 0.071474 3C 3pz -0.481436 0.109777 -0.519575 -0.120448 -0.061294 0.166795 3C 3px -0.370316 0.168878 -0.308077 0.067685 0.556873 0.355062 3C 3py 0.746868 -0.246717 0.834521 -0.032583 0.220132 -0.362817 3C 1dz2 -0.000114 -0.000295 0.000936 0.000301 0.001917 -0.000714 3C 1dxz -0.000756 0.002264 0.000945 0.001137 -0.008293 0.000347 3C 1dyz -0.002947 0.002223 0.004402 0.000378 -0.004375 -0.002017 3C 1dx2y2 0.001312 -0.000801 0.000939 0.000884 -0.003492 -0.000686 3C 1dxy 0.001057 -0.000537 0.000123 0.000735 0.005330 0.000425 3C 2dz2 -0.002080 0.021352 0.040479 0.010491 0.014619 -0.013315 3C 2dxz -0.010378 -0.038665 -0.067676 -0.004007 -0.002196 0.009069 3C 2dyz 0.008102 0.058336 0.148482 -0.017159 0.026596 -0.046468 3C 2dx2y2 0.007346 0.043088 0.130352 -0.006523 -0.028146 -0.065397 3C 2dxy 0.011427 0.037339 0.108964 0.007951 0.069489 -0.027368 3C 1f0 -0.001379 0.007697 0.010804 -0.000810 0.001175 -0.003776 3C 1f+1 -0.001682 0.003384 0.001788 0.000131 -0.006871 0.000094 3C 1f-1 0.000477 0.004420 0.000045 -0.000005 -0.003200 0.003230 3C 1f+2 -0.000386 -0.005173 0.014475 -0.001541 0.001291 -0.009639 3C 1f-2 0.001273 -0.003972 0.010425 -0.000960 0.008558 -0.006508 3C 1f+3 -0.000406 -0.003189 -0.010489 0.000123 -0.000047 0.002520 3C 1f-3 0.000732 0.000358 0.002768 -0.000241 0.005380 -0.001300 4C 1s 0.031867 -0.006475 0.017593 0.012598 -0.005325 -0.004032 4C 2s 0.067926 -0.016481 0.040899 0.028852 -0.011365 -0.007311 4C 3s -0.020704 0.202993 -0.159349 -0.134117 0.016135 -0.090730 4C 4s -1.234797 -1.148615 0.264747 0.289654 0.130927 0.741259 4C 5s 2.850889 -0.843676 0.809216 0.958317 0.195079 -0.374949 4C 1pz -0.057598 -0.047579 0.096396 0.073089 0.004877 0.084203 4C 1px -0.062707 -0.087378 0.021315 -0.017184 0.029437 -0.173928 4C 1py -0.075139 -0.063419 0.061419 0.040180 0.047446 0.012378 4C 2pz -0.128822 -0.128124 0.003452 0.023587 -0.032427 0.092894 4C 2px -0.019789 -0.108949 0.046282 0.096971 0.022470 0.059309 4C 2py -0.126389 -0.114637 -0.012534 -0.004966 0.098779 0.157253 4C 3pz -1.662729 -1.295241 0.105672 -0.123738 -0.045129 0.414450 4C 3px 0.179851 1.037474 -0.009682 0.373478 0.440257 0.842281 4C 3py -0.815391 -0.454772 0.169975 0.238169 -0.178577 0.288198 4C 1dz2 -0.008228 -0.005284 0.005586 0.000167 0.003316 -0.007935 4C 1dxz -0.001167 0.006676 0.001550 0.003933 -0.002679 0.018075 4C 1dyz -0.004147 -0.012438 0.009998 0.003718 0.001720 0.003417 4C 1dx2y2 0.010393 -0.005887 -0.001242 -0.001149 -0.004260 -0.000475 4C 1dxy 0.007840 -0.000299 0.002897 0.004746 -0.001898 0.014886 4C 2dz2 -0.036380 -0.010488 0.061455 0.041056 -0.006689 -0.116046 4C 2dxz -0.001861 0.073391 0.029610 0.079122 -0.001082 0.130928 4C 2dyz 0.016428 -0.118224 0.104363 0.110858 0.020812 0.046682 4C 2dx2y2 0.066704 -0.115583 -0.000898 0.035590 -0.021854 0.068803 4C 2dxy 0.053865 -0.070298 0.031324 0.049616 -0.037996 0.131444 4C 1f0 -0.000020 0.007094 -0.002954 -0.002595 -0.000903 -0.004709 4C 1f+1 -0.000525 0.019177 -0.004782 -0.006142 0.001909 -0.006239 4C 1f-1 -0.003524 0.006094 -0.009887 -0.009356 0.001738 -0.006423 4C 1f+2 0.000227 -0.014744 0.007082 0.006139 -0.000489 0.000368 4C 1f-2 0.000221 0.003025 -0.002554 -0.001519 -0.001912 0.004974 4C 1f+3 -0.001651 0.000871 -0.001868 -0.004932 0.000858 -0.005340 4C 1f-3 -0.001475 0.016125 -0.003514 -0.007657 0.001594 -0.014688 5C 1s 0.032423 -0.006960 0.021193 -0.005003 0.005700 -0.010399 5C 2s 0.069429 -0.013381 0.049471 -0.011231 0.013187 -0.022528 5C 3s -0.040234 -0.132886 -0.222884 0.039670 -0.070415 0.018214 5C 4s -1.102016 1.264514 0.523359 -0.034557 0.172846 0.355873 5C 5s 2.700478 0.022103 1.363145 -0.105106 -0.221460 -0.617582 5C 1pz -0.046011 0.056786 0.069203 0.005360 0.097910 -0.018947 5C 1px -0.062142 0.028291 0.096949 -0.021780 -0.184691 -0.022872 5C 1py 0.056271 -0.085703 -0.137971 -0.009656 -0.047600 0.044582 5C 2pz -0.114945 0.120007 0.009942 -0.055808 0.112448 0.117130 5C 2px -0.061374 0.078676 -0.046318 0.043835 -0.057066 -0.035885 5C 2py 0.114474 -0.176187 -0.046204 -0.004279 -0.007667 -0.072111 5C 3pz -0.680475 0.686770 0.379788 -0.264952 -0.217322 -0.046806 5C 3px -0.005744 0.749207 -0.310299 0.148905 1.089998 -0.229625 5C 3py 1.141813 -1.249037 -0.230991 0.518643 -0.456648 -0.154216 5C 1dz2 -0.006681 -0.001609 -0.001790 -0.001047 -0.006921 -0.000683 5C 1dxz -0.005502 -0.002503 0.000481 -0.000828 0.011372 -0.000452 5C 1dyz 0.000962 -0.009659 -0.014255 0.002285 0.005638 0.001740 5C 1dx2y2 0.010490 -0.003014 -0.007802 0.001584 0.009885 0.001621 5C 1dxy 0.000288 -0.005932 -0.002783 -0.001763 -0.019665 0.000047 5C 2dz2 -0.071107 -0.065583 -0.038114 -0.019501 -0.046315 0.010301 5C 2dxz -0.038030 -0.039146 -0.002985 0.056501 0.024214 -0.033918 5C 2dyz -0.024762 -0.107248 -0.186000 0.033573 0.016601 0.037341 5C 2dx2y2 0.076312 0.055384 -0.103141 -0.006524 0.103182 0.052491 5C 2dxy 0.000750 0.002867 -0.037018 -0.025441 -0.146362 0.062626 5C 1f0 0.000931 -0.006300 0.003853 0.002013 0.004435 -0.004739 5C 1f+1 -0.001260 -0.008915 -0.002058 0.000347 -0.007289 -0.001978 5C 1f-1 0.001124 0.001158 0.000809 0.001944 0.001953 -0.001941 5C 1f+2 0.001740 0.003769 0.009427 -0.001145 0.002184 -0.002492 5C 1f-2 0.001338 0.010551 0.014843 -0.004614 -0.002687 0.000212 5C 1f+3 -0.003101 -0.010590 -0.010328 -0.000886 -0.005922 0.000600 5C 1f-3 0.002788 0.014489 0.008309 -0.001970 0.006142 0.001114 6C 1s 0.031264 -0.007853 0.021269 0.003659 0.005448 -0.008816 6C 2s 0.067018 -0.015254 0.049661 0.008135 0.012646 -0.018927 6C 3s -0.047817 -0.136359 -0.224831 -0.027353 -0.070385 0.003936 6C 4s -1.007045 1.321406 0.533584 0.014289 0.183271 0.373406 6C 5s 2.933536 0.122660 1.374619 -0.005073 -0.201421 -0.436752 6C 1pz 0.044834 -0.057812 -0.068925 0.010691 -0.097391 0.008805 6C 1px 0.059053 -0.030225 -0.098241 -0.014626 0.181989 0.015889 6C 1py -0.049089 0.089486 0.137553 -0.020128 0.047062 -0.029334 6C 2pz 0.112471 -0.125866 -0.015602 -0.059912 -0.116415 -0.118109 6C 2px 0.062633 -0.079262 0.051475 0.049355 0.056371 0.041556 6C 2py -0.080563 0.194749 0.048345 -0.003709 0.011204 0.070022 6C 3pz 0.784028 -0.622178 -0.385565 -0.248427 0.227915 0.077151 6C 3px 0.037354 -0.708830 0.322478 0.155781 -1.063348 0.239528 6C 3py -1.428653 1.096065 0.248696 0.505858 0.443402 0.124149 6C 1dz2 -0.006880 -0.001794 -0.001759 0.001051 -0.006782 -0.000436 6C 1dxz -0.006424 -0.002933 0.000431 0.000781 0.010992 -0.000105 6C 1dyz 0.000481 -0.009906 -0.014471 -0.001476 0.005430 0.001181 6C 1dx2y2 0.011213 -0.002601 -0.007905 -0.000978 0.009661 0.000736 6C 1dxy 0.001109 -0.005538 -0.002580 0.002115 -0.019331 -0.000209 6C 2dz2 -0.079257 -0.067232 -0.036636 0.022344 -0.047097 0.008239 6C 2dxz -0.038508 -0.039992 -0.006503 -0.058382 0.025105 -0.025625 6C 2dyz -0.030800 -0.110114 -0.188249 -0.021866 0.016233 0.018315 6C 2dx2y2 0.062235 0.048506 -0.102976 0.013621 0.103640 0.035768 6C 2dxy -0.003241 0.000626 -0.034776 0.030904 -0.142528 0.052476 6C 1f0 -0.000679 0.006427 -0.003629 0.002414 -0.004199 0.003947 6C 1f+1 0.001605 0.009123 0.002066 0.000255 0.007257 0.001834 6C 1f-1 -0.001509 -0.001248 -0.000661 0.002082 -0.001912 0.001807 6C 1f+2 -0.002211 -0.003952 -0.009504 -0.000539 -0.002216 0.001418 6C 1f-2 -0.002600 -0.011188 -0.015181 -0.003900 0.002600 -0.001184 6C 1f+3 0.003957 0.010947 0.010254 -0.001512 0.005991 0.000153 6C 1f-3 -0.003863 -0.015041 -0.008458 -0.001520 -0.006230 -0.001482 7C 1s 0.033530 -0.005819 0.016966 -0.013253 -0.005355 -0.004178 7C 2s 0.071484 -0.015112 0.039485 -0.030303 -0.011410 -0.007563 7C 3s -0.017727 0.205893 -0.153872 0.134508 0.015530 -0.094920 7C 4s -1.319106 -1.192796 0.257295 -0.263273 0.136127 0.774905 7C 5s 2.635112 -0.917243 0.775307 -0.997385 0.230319 -0.384670 7C 1pz 0.061124 0.049521 -0.094033 0.073606 -0.005837 -0.085889 7C 1px 0.061804 0.085886 -0.022403 -0.012767 -0.031752 0.176409 7C 1py 0.079534 0.065704 -0.060079 0.041095 -0.049167 -0.013418 7C 2pz 0.143597 0.133318 -0.003036 0.019873 0.032961 -0.095184 7C 2px 0.029813 0.118227 -0.044745 0.097750 -0.027956 -0.066936 7C 2py 0.160790 0.132089 0.011992 -0.009891 -0.099327 -0.164744 7C 3pz 1.458771 1.216006 -0.102646 -0.149306 0.058485 -0.410952 7C 3px -0.247250 -1.056472 0.036567 0.366128 -0.423820 -0.865344 7C 3py 0.587608 0.357335 -0.155553 0.232604 0.183928 -0.280672 7C 1dz2 -0.007523 -0.004828 0.005545 -0.000525 0.003455 -0.008202 7C 1dxz -0.001146 0.006567 0.001432 -0.003638 -0.002921 0.018330 7C 1dyz -0.003848 -0.012457 0.009893 -0.003902 0.001834 0.003628 7C 1dx2y2 0.009386 -0.006293 -0.001191 0.001246 -0.004422 -0.000334 7C 1dxy 0.007100 -0.000840 0.002725 -0.004556 -0.002014 0.015339 7C 2dz2 -0.032018 -0.005411 0.059577 -0.044719 -0.006349 -0.117877 7C 2dxz -0.004280 0.070446 0.026475 -0.075873 0.001326 0.133939 7C 2dyz 0.006312 -0.123881 0.100252 -0.110519 0.022556 0.047556 7C 2dx2y2 0.074935 -0.112742 -0.003180 -0.032326 -0.021899 0.071861 7C 2dxy 0.050568 -0.072502 0.029733 -0.047152 -0.039187 0.136714 7C 1f0 -0.000551 -0.007347 0.002783 -0.002441 0.000930 0.004792 7C 1f+1 -0.000343 -0.019549 0.004531 -0.005915 -0.001940 0.006622 7C 1f-1 0.003017 -0.006385 0.009543 -0.009405 -0.001676 0.006724 7C 1f+2 0.000048 0.014809 -0.006845 0.006215 0.000461 -0.000496 7C 1f-2 -0.000393 -0.003062 0.002448 -0.001629 0.001919 -0.005036 7C 1f+3 0.001512 -0.001072 0.001686 -0.004774 -0.000690 0.005528 7C 1f-3 0.000372 -0.016899 0.003278 -0.007278 -0.001520 0.015397 8C 1s -0.006091 -0.018151 -0.013284 0.000984 0.000035 -0.002097 8C 2s -0.013519 -0.038253 -0.033388 0.001906 -0.001288 -0.002914 8C 3s 0.016646 -0.006600 0.187592 0.002091 0.048303 -0.062472 8C 4s 0.190650 0.779227 -0.576917 -0.051687 -0.284064 0.469097 8C 5s -2.839364 -0.853248 1.636799 0.774737 1.587709 -1.215854 8C 1pz -0.037415 -0.020819 -0.082927 0.007818 -0.031244 0.009056 8C 1px -0.001693 -0.038727 -0.077898 -0.001113 0.042480 0.019311 8C 1py 0.006837 0.063105 0.178507 0.003909 0.053685 -0.049480 8C 2pz -0.091956 0.029874 0.031680 0.012864 -0.139264 -0.053384 8C 2px 0.050630 -0.065492 -0.111912 -0.007148 0.360272 0.035222 8C 2py -0.041546 0.023937 0.108727 0.043302 0.153390 -0.066008 8C 3pz 0.569616 -0.071439 0.512870 -0.149880 0.057479 -0.126582 8C 3px 0.441544 -0.141772 0.311962 0.035017 -0.547412 -0.298365 8C 3py -0.805942 0.212124 -0.834830 0.027143 -0.220727 0.235044 8C 1dz2 0.000171 -0.000132 0.000918 -0.000365 0.001766 -0.000662 8C 1dxz -0.000478 0.002306 0.000914 -0.001201 -0.008068 0.000372 8C 1dyz -0.002547 0.002402 0.004408 -0.000687 -0.004353 -0.001511 8C 1dx2y2 0.001777 -0.000601 0.000906 -0.000971 -0.003343 -0.000528 8C 1dxy 0.001013 -0.000539 0.000035 -0.000748 0.005297 0.000492 8C 2dz2 0.001286 0.022259 0.039629 -0.013154 0.014620 -0.009070 8C 2dxz -0.011754 -0.038947 -0.067474 0.008706 -0.002928 0.002587 8C 2dyz 0.010531 0.059410 0.149169 0.006387 0.026833 -0.030644 8C 2dx2y2 0.013564 0.045664 0.130484 -0.003366 -0.028741 -0.052869 8C 2dxy 0.014053 0.038241 0.108571 -0.014616 0.067241 -0.015694 8C 1f0 0.001044 -0.007895 -0.010886 -0.000018 -0.000942 0.002791 8C 1f+1 0.001548 -0.003241 -0.001845 0.000242 0.006682 -0.000064 8C 1f-1 -0.000709 -0.004520 -0.000141 0.000003 0.002928 -0.002865 8C 1f+2 0.000504 0.005357 -0.014276 -0.000572 -0.001033 0.007445 8C 1f-2 -0.001169 0.004239 -0.010327 -0.000290 -0.008240 0.004963 8C 1f+3 0.000506 0.003218 0.010423 -0.000568 0.000170 -0.001340 8C 1f-3 -0.000657 -0.000290 -0.002787 -0.000027 -0.005373 0.001047 9C 1s -0.001324 0.017643 -0.007505 0.001764 -0.009915 -0.007981 9C 2s -0.003724 0.038684 -0.019674 0.007495 -0.019905 -0.017268 9C 3s 0.024244 -0.042906 0.132936 -0.137681 -0.044046 0.007598 9C 4s -0.051444 -0.485718 -0.476317 0.764079 0.664539 0.289870 9C 5s -1.921067 0.611843 1.385320 -2.044724 -2.048651 0.044932 9C 1pz -0.011648 0.094304 -0.120637 0.090470 -0.008057 -0.045494 9C 1px 0.027602 0.026684 -0.035405 0.009281 -0.016277 0.044769 9C 1py -0.012078 0.048916 -0.083246 0.050968 0.012932 0.001275 9C 2pz -0.035700 0.035289 -0.080520 0.056830 0.010734 -0.146755 9C 2px 0.150474 0.106251 -0.069791 -0.033553 -0.064587 0.335859 9C 2py -0.006648 -0.002025 -0.061647 -0.015405 0.070454 0.062688 9C 3pz 0.737747 -0.300440 0.549299 -0.522939 -0.064209 0.148758 9C 3px 0.241417 0.346142 0.103916 -0.083766 0.354551 -0.624811 9C 3py 0.654865 -0.022314 0.426434 -0.498201 -0.104916 -0.282169 9C 1dz2 0.000167 -0.000032 -0.001197 0.001311 -0.000104 0.003975 9C 1dxz -0.003099 -0.002300 0.000165 0.000176 0.003341 -0.006850 9C 1dyz 0.002605 0.002158 -0.001942 0.000769 -0.000574 0.002116 9C 1dx2y2 0.001911 0.001817 -0.000571 -0.000222 0.001239 0.003175 9C 1dxy -0.000572 0.000348 -0.000425 0.001405 0.000220 -0.005256 9C 2dz2 -0.002183 0.073840 -0.083084 0.067354 -0.018439 0.019243 9C 2dxz -0.010133 0.027126 -0.045080 0.046369 0.020538 -0.024654 9C 2dyz -0.003557 0.090620 -0.116295 0.097214 -0.020449 -0.048225 9C 2dx2y2 -0.006447 -0.039961 0.039910 -0.010330 0.011941 -0.021991 9C 2dxy 0.003776 0.013509 -0.024432 0.022231 0.022341 -0.029739 9C 1f0 0.002353 0.000405 0.002183 -0.004313 -0.000739 0.003690 9C 1f+1 0.001179 0.000887 0.002959 -0.002532 -0.000937 0.003416 9C 1f-1 -0.001876 -0.008737 0.012742 -0.011314 -0.001669 -0.002447 9C 1f+2 -0.003194 -0.002310 -0.007165 0.009219 0.005306 -0.002660 9C 1f-2 0.001570 0.002734 0.006668 -0.008231 -0.005816 -0.002346 9C 1f+3 -0.001547 -0.006833 0.000104 0.001787 0.005263 0.004026 9C 1f-3 0.001857 0.000594 -0.000192 0.000059 0.000963 0.006228 10H 1s 0.015395 0.019460 -0.006307 0.002205 -0.014962 0.037521 10H 2s 0.257527 0.267930 -0.072267 0.051805 -0.125751 0.429956 10H 3s -0.276182 -0.279565 -0.534287 -0.899233 0.829743 -1.080901 10H 1pz 0.007186 0.008084 0.005146 0.009543 -0.001784 0.009975 10H 1px -0.012375 -0.015207 -0.000798 -0.010036 0.011194 -0.022245 10H 1py 0.001932 0.002945 0.002349 0.000511 -0.001584 0.001356 11H 1s -0.018205 -0.005865 0.001141 -0.003788 0.009536 -0.014251 11H 2s -0.119416 -0.047479 0.040290 0.017293 0.033110 -0.208618 11H 3s 0.085361 -0.093494 -0.581372 -0.659506 0.313858 0.541344 11H 1pz 0.003248 0.001932 0.009246 0.012709 -0.008217 -0.007516 11H 1px -0.004398 -0.001148 0.007972 0.008092 -0.006237 -0.011504 11H 1py 0.001468 -0.002755 -0.000448 -0.002451 -0.002920 0.003001 12H 1s -0.014277 0.000614 0.001931 -0.007523 -0.007347 -0.036094 12H 2s -0.112233 0.025808 0.019444 -0.094824 -0.096853 -0.385197 12H 3s 0.088715 -0.152896 -0.612895 -0.693131 0.445860 0.954848 12H 1pz 0.001884 -0.003916 0.000999 0.000651 0.003844 0.011051 12H 1px -0.006146 -0.002965 0.005638 0.003738 -0.005158 -0.011013 12H 1py -0.001501 0.005257 0.007372 0.004670 -0.009323 -0.013332 13H 1s 0.007008 -0.019088 -0.016634 0.001922 0.047159 0.004941 13H 2s 0.141211 -0.246176 -0.201257 -0.003544 0.551866 0.028622 13H 3s -0.146753 0.436176 -0.493038 0.031898 -1.588220 0.381258 13H 1pz 0.006340 -0.009930 -0.000457 -0.002110 0.020893 -0.002124 13H 1px -0.003773 0.014751 0.004026 0.002126 -0.026665 0.002871 13H 1py -0.001652 0.002762 -0.005524 0.002863 -0.011113 0.006439 14H 1s -0.004626 -0.000824 0.000444 0.004996 -0.041243 -0.000962 14H 2s -0.005868 -0.035723 0.010823 0.052884 -0.425049 0.020579 14H 3s 0.051512 0.496821 -0.816498 0.178949 0.644985 0.617147 14H 1pz 0.002878 -0.006649 0.003180 -0.001150 -0.000711 -0.001154 14H 1px -0.002064 -0.004656 0.011147 0.001626 -0.015620 -0.005095 14H 1py 0.001449 -0.001275 -0.003995 0.001219 -0.009348 0.000281 15H 1s -0.020165 0.003172 0.005999 -0.004616 -0.006437 -0.006825 15H 2s -0.156247 -0.017562 0.096444 -0.028970 -0.105507 -0.141947 15H 3s 0.148227 0.439592 -0.819589 0.282567 -0.111991 0.697227 15H 1pz 0.005983 0.003993 -0.005530 0.002643 0.000715 0.007206 15H 1px -0.000840 0.001557 0.006313 0.003111 -0.005457 -0.002946 15H 1py 0.000595 0.010161 -0.014101 0.000816 0.001032 0.014794 16H 1s 0.001106 -0.028103 0.019678 0.058755 -0.013558 0.028583 16H 2s -0.050938 -0.620949 0.249228 0.823339 -0.169251 0.469284 16H 3s -0.074346 0.576949 -0.023080 -0.324127 0.183496 -0.198944 16H 1pz -0.006495 -0.048535 0.009704 0.036397 -0.011621 0.023839 16H 1px 0.002153 0.025052 -0.001718 -0.014333 0.001317 -0.009636 16H 1py -0.000759 -0.011835 0.008458 0.024911 0.001154 0.014074 17H 1s 0.003571 0.012787 0.023589 0.062586 0.028574 0.030138 17H 2s 0.025881 0.365905 0.364108 0.869601 0.353196 0.386599 17H 3s -0.163919 -0.423071 -0.128828 -0.285233 -0.227512 -0.060735 17H 1pz 0.001520 -0.015567 -0.010658 -0.017281 -0.010705 -0.008261 17H 1px -0.001836 -0.037493 -0.018303 -0.033850 -0.016293 -0.010005 17H 1py -0.000083 0.006524 0.013562 0.032396 0.009074 0.014186 18H 1s 0.003647 0.011452 0.020657 -0.063312 0.027982 0.033799 18H 2s 0.019236 0.339242 0.321292 -0.885469 0.348209 0.433081 18H 3s -0.146902 -0.409153 -0.113283 0.300037 -0.222941 -0.076547 18H 1pz -0.001775 0.015457 0.010186 -0.018976 0.010918 0.009443 18H 1px 0.000860 0.035894 0.016524 -0.035528 0.016165 0.011650 18H 1py 0.000378 -0.004467 -0.011610 0.032120 -0.008624 -0.015609 19H 1s 0.001848 -0.029640 0.016954 -0.057119 -0.013870 0.030924 19H 2s -0.052521 -0.648463 0.211694 -0.791902 -0.170707 0.504106 19H 3s -0.056886 0.592839 -0.011871 0.301272 0.182533 -0.219328 19H 1pz 0.006998 0.049493 -0.007945 0.033498 0.011566 -0.024847 19H 1px -0.003023 -0.026199 0.001264 -0.013821 -0.001304 0.010925 19H 1py 0.001177 0.013912 -0.007462 0.024904 -0.000880 -0.015694 20H 1s -0.021209 0.002714 0.006159 0.004301 -0.006928 -0.006339 20H 2s -0.150978 -0.015520 0.095941 0.022377 -0.112058 -0.131320 20H 3s 0.218122 0.486271 -0.816329 -0.226060 -0.078512 0.538526 20H 1pz -0.006716 -0.004496 0.005507 0.002326 -0.001111 -0.005996 20H 1px 0.000301 -0.001613 -0.006210 0.003481 0.005443 0.002246 20H 1py 0.000499 -0.009871 0.013766 -0.000165 -0.001629 -0.012637 21H 1s -0.003682 -0.000601 0.000231 -0.005076 -0.040074 -0.001297 21H 2s -0.002080 -0.035202 0.007904 -0.053213 -0.410507 0.019593 21H 3s 0.070563 0.526869 -0.808939 -0.124479 0.647654 0.486849 21H 1pz -0.001913 0.007164 -0.003131 -0.000930 0.000694 0.000305 21H 1px 0.002445 0.005079 -0.010843 0.002317 0.015175 0.003310 21H 1py -0.002130 0.001110 0.003972 0.000998 0.009169 0.000082 22H 1s 0.005567 -0.019595 -0.017067 -0.000543 0.046145 0.003406 22H 2s 0.129189 -0.249428 -0.204469 0.018726 0.540881 0.014097 22H 3s -0.067090 0.485682 -0.474465 -0.007520 -1.543168 0.280442 22H 1pz -0.005048 0.010410 0.000545 -0.002139 -0.020386 0.001311 22H 1px 0.002771 -0.015280 -0.004260 0.002507 0.025926 -0.002514 22H 1py 0.001641 -0.002879 0.005552 0.002468 0.010928 -0.005459 23H 1s -0.012393 0.001883 0.002408 0.006260 -0.007635 -0.036287 23H 2s -0.110015 0.032055 0.025771 0.079666 -0.100913 -0.387913 23H 3s -0.035431 -0.220331 -0.579234 0.727855 0.453242 0.971898 23H 1pz -0.000421 0.004730 -0.000889 0.000290 -0.004057 -0.011297 23H 1px 0.005536 0.002718 -0.005416 0.004154 0.004931 0.010830 23H 1py 0.001434 -0.005485 -0.007281 0.005364 0.009783 0.013590 24H 1s -0.017788 -0.005971 0.001097 0.003660 0.010348 -0.015149 24H 2s -0.111042 -0.047180 0.038004 -0.021491 0.043974 -0.218368 24H 3s 0.022322 -0.118691 -0.544513 0.669885 0.305531 0.571445 24H 1pz -0.004750 -0.002532 -0.008619 0.012964 0.007877 0.007622 24H 1px 0.003385 0.000771 -0.007653 0.008621 0.005950 0.011890 24H 1py -0.001121 0.002806 0.000077 -0.002259 0.003244 -0.003115 25H 1s 0.014949 0.019020 -0.006425 -0.001101 -0.015791 0.038295 25H 2s 0.250321 0.262674 -0.075307 -0.038567 -0.135970 0.437204 25H 3s -0.351274 -0.301032 -0.491826 0.873263 0.856229 -1.102062 25H 1pz -0.008029 -0.008426 -0.004612 0.009330 0.002058 -0.010134 25H 1px 0.012651 0.015218 0.000265 -0.009255 -0.011852 0.022560 25H 1py -0.001538 -0.002747 -0.002323 0.000486 0.001726 -0.001122 26O 1s -0.010731 -0.007324 -0.000229 -0.002416 0.003157 -0.005286 26O 2s -0.026261 -0.017011 -0.001263 -0.006202 0.007656 -0.013217 26O 3s 0.042514 0.008274 0.013893 0.017344 -0.011614 0.031468 26O 4s 0.087303 0.102729 -0.033895 0.032175 -0.038597 0.056470 26O 5s -0.051656 0.761526 -0.146533 -0.600404 0.033182 -1.086153 26O 1pz 0.006462 0.028404 -0.016167 0.017895 0.017964 -0.023133 26O 1px -0.137506 0.001742 -0.002559 -0.012425 0.042179 -0.052628 26O 1py -0.046803 0.045685 -0.014257 -0.020061 0.009449 -0.061874 26O 2pz -0.015812 -0.007974 -0.012974 0.025435 0.031984 0.010324 26O 2px -0.127047 -0.065799 -0.001088 0.020314 0.038957 0.034894 26O 2py -0.057128 -0.002319 -0.011267 -0.027007 -0.016383 -0.030099 26O 3pz 0.281609 0.400029 -0.048668 -0.024741 -0.007524 -0.220658 26O 3px -0.256194 -0.376595 0.225247 0.264086 0.056614 0.422925 26O 3py 0.088064 0.166286 0.062625 0.218530 0.171552 0.136217 26O 1dz2 0.002076 0.002879 -0.000399 -0.001090 -0.001045 -0.001154 26O 1dxz 0.001860 0.000533 -0.002405 -0.002347 -0.000430 -0.004420 26O 1dyz 0.000359 -0.002303 -0.000906 -0.001354 -0.000584 -0.001280 26O 1dx2y2 -0.003577 -0.002904 0.001378 0.001063 0.000793 0.002716 26O 1dxy -0.001479 -0.004261 -0.000063 0.001389 0.000248 -0.000171 26O 2dz2 0.006317 -0.009092 0.002282 0.012743 0.000047 0.017123 26O 2dxz 0.004807 0.006852 -0.005897 -0.009122 -0.000123 -0.019656 26O 2dyz -0.005473 0.010009 -0.007606 -0.013370 0.006460 -0.020759 26O 2dx2y2 -0.012509 0.016547 -0.005150 -0.011333 0.009495 -0.026542 26O 2dxy -0.010679 0.017161 -0.010487 -0.022980 0.003415 -0.045178 26O 1f0 0.000452 0.000402 -0.000754 -0.000348 0.000150 -0.000912 26O 1f+1 0.000292 0.001484 -0.000511 -0.001340 0.000199 -0.001827 26O 1f-1 0.000175 0.001679 -0.000795 -0.000722 0.000048 -0.001549 26O 1f+2 -0.000609 -0.001171 0.000505 0.000301 0.000308 0.000862 26O 1f-2 -0.000146 0.000334 0.000506 0.000742 0.000214 0.000606 26O 1f+3 -0.000410 0.000930 0.000287 0.000423 0.000389 -0.000661 26O 1f-3 0.000318 0.001497 -0.001050 -0.002062 -0.000024 -0.002796 27O 1s -0.010257 0.001666 0.004179 -0.001847 -0.008857 -0.000340 27O 2s -0.025139 0.003611 0.009412 -0.005033 -0.021664 -0.000932 27O 3s 0.041647 0.006012 -0.002731 0.016648 0.037480 0.004223 27O 4s 0.079883 -0.024763 -0.071902 -0.023091 0.106242 -0.015922 27O 5s -0.098342 -0.765243 -0.084295 0.117426 -0.808313 0.103409 27O 1pz 0.026898 -0.020249 -0.033036 0.017753 -0.028336 0.007214 27O 1px -0.130293 0.020110 0.006549 -0.003294 -0.101150 0.011060 27O 1py 0.014535 -0.001295 0.026246 -0.008483 0.029646 0.015374 27O 2pz 0.020570 -0.001968 -0.029932 0.013750 -0.039133 0.018784 27O 2px -0.120126 0.063709 -0.003815 0.000795 -0.055219 0.025087 27O 2py 0.035162 -0.018141 0.024720 0.013409 0.013908 0.017011 27O 3pz 0.154968 -0.227026 -0.113933 0.029489 0.010152 -0.026491 27O 3px -0.165330 0.603266 0.192109 -0.009259 0.260792 -0.028096 27O 3py -0.238101 -0.065942 0.091794 -0.148966 0.002127 0.010393 27O 1dz2 0.001478 -0.001423 -0.000726 -0.000530 0.001265 -0.000433 27O 1dxz 0.002249 -0.002108 -0.001400 -0.000320 -0.001583 -0.000130 27O 1dyz 0.000108 -0.000801 -0.000783 0.000732 -0.000114 0.000213 27O 1dx2y2 -0.003331 0.005741 0.001766 0.000595 0.000503 -0.000763 27O 1dxy -0.001000 0.001099 0.001888 -0.000678 0.004223 -0.001205 27O 2dz2 0.008799 0.012602 0.002938 0.002078 0.027116 0.005517 27O 2dxz 0.006040 0.000189 -0.004268 -0.000408 -0.007299 0.001004 27O 2dyz 0.003179 -0.006768 0.007299 0.002058 0.015271 -0.000608 27O 2dx2y2 -0.012926 -0.015080 0.002738 0.003753 -0.027267 0.003758 27O 2dxy 0.003085 0.019846 0.009006 0.006253 0.030263 0.001863 27O 1f0 0.000269 0.000494 0.000081 0.000117 0.000116 0.000372 27O 1f+1 0.000325 -0.001471 -0.000574 -0.000090 -0.001370 0.000057 27O 1f-1 -0.000238 0.000533 0.000414 -0.000285 0.000701 -0.000432 27O 1f+2 -0.000327 0.000226 0.000906 0.000106 0.000371 -0.000135 27O 1f-2 -0.000384 0.000567 0.000222 0.000323 -0.000278 0.000218 27O 1f+3 0.000070 -0.001219 -0.000483 -0.000176 -0.001179 -0.000365 27O 1f-3 -0.000438 0.001847 0.001145 0.000343 0.001562 -0.000023 28O 1s -0.006938 0.004863 0.001790 0.001899 0.000612 0.009760 28O 2s -0.017422 0.011926 0.003945 0.005145 0.001398 0.023290 28O 3s 0.034504 -0.024830 0.000213 -0.015641 -0.000715 -0.027295 28O 4s -0.001865 -0.081943 -0.027249 0.030737 -0.014367 -0.153124 28O 5s 0.528988 1.162070 -0.206579 -0.143295 0.073402 0.378382 28O 1pz -0.034090 0.047195 -0.029751 -0.009657 -0.029725 0.063818 28O 1px 0.088751 -0.025966 0.000031 -0.015586 -0.023352 -0.093706 28O 1py 0.010889 -0.007031 -0.018379 0.006953 -0.008608 0.018273 28O 2pz -0.052835 0.020082 -0.027784 -0.000919 -0.030548 0.073907 28O 2px 0.090430 0.009276 0.003845 -0.005091 -0.035759 -0.074748 28O 2py 0.004373 -0.012127 -0.018103 0.026491 0.007587 0.028090 28O 3pz -0.046224 -0.486265 0.007272 -0.018792 -0.130786 -0.087918 28O 3px 0.412746 0.549512 -0.145080 -0.135713 0.056974 -0.091873 28O 3py 0.089800 -0.119000 -0.057109 -0.128248 -0.158215 -0.085787 28O 1dz2 0.002460 0.001211 -0.001576 -0.000871 0.000159 0.002341 28O 1dxz 0.002029 0.002143 0.000430 0.000816 -0.000041 -0.002247 28O 1dyz 0.001670 0.001867 -0.000460 -0.000460 -0.001013 0.000833 28O 1dx2y2 -0.003882 -0.003943 0.001150 0.001371 0.000155 0.000055 28O 1dxy -0.001707 -0.001813 0.001099 0.001803 0.001452 0.000118 28O 2dz2 0.009291 0.012373 -0.005853 0.004777 -0.010814 0.005841 28O 2dxz -0.006043 -0.039235 0.008323 0.004334 -0.006576 -0.023042 28O 2dyz 0.008423 0.013073 -0.012250 0.002861 -0.004717 0.013702 28O 2dx2y2 -0.004600 0.015833 0.000513 -0.001480 -0.000557 0.010260 28O 2dxy -0.007787 -0.013650 0.000389 -0.003194 -0.001885 -0.000791 28O 1f0 0.000007 0.000897 0.000126 -0.000090 0.000255 0.000139 28O 1f+1 0.001175 0.001778 -0.000806 -0.000028 -0.000259 0.000087 28O 1f-1 -0.000109 0.000007 -0.000305 0.000494 -0.000589 -0.000834 28O 1f+2 -0.000872 -0.002228 0.000660 0.000092 -0.000160 0.000034 28O 1f-2 0.000840 0.001214 -0.000826 -0.000374 -0.000074 0.000524 28O 1f+3 0.000096 -0.000786 -0.000238 0.000285 -0.000068 -0.000127 28O 1f-3 0.000671 0.000650 -0.000255 0.000066 0.000283 -0.000301 29O 1s 0.008414 -0.002929 0.005447 0.013512 0.001765 0.002801 29O 2s 0.020231 -0.006561 0.011372 0.030069 0.003680 0.005493 29O 3s -0.027691 -0.000994 0.017290 0.011971 0.005493 0.019774 29O 4s -0.122300 0.071837 -0.197186 -0.328848 -0.063376 -0.117602 29O 5s 0.091554 0.024028 0.020178 -0.414922 0.005934 -0.162252 29O 1pz -0.015824 -0.034903 -0.000423 0.007349 -0.037825 -0.003084 29O 1px 0.017844 -0.020451 0.028735 0.006910 -0.015651 0.008854 29O 1py 0.009561 -0.018362 0.046487 0.105637 0.019240 0.065448 29O 2pz -0.013426 -0.124204 -0.011814 0.018644 -0.088698 -0.004899 29O 2px -0.024880 -0.049808 0.062942 0.019594 -0.031485 0.044624 29O 2py 0.009211 -0.034037 0.116988 0.263177 0.047869 0.163001 29O 3pz -0.098643 -0.380147 0.057122 0.138455 -0.117256 0.193467 29O 3px 0.217133 -0.080119 -0.349183 -0.478180 -0.116333 -0.379893 29O 3py -0.023216 0.008052 0.009216 0.145330 0.004856 0.000562 29O 1dz2 -0.001063 -0.004280 0.002607 0.008148 -0.000830 0.004969 29O 1dxz -0.001176 0.001574 0.002590 0.006042 0.002112 0.002977 29O 1dyz -0.000758 -0.007604 -0.000514 0.000509 -0.003705 0.001400 29O 1dx2y2 0.001335 0.000325 -0.000166 -0.000987 0.000278 -0.000664 29O 1dxy 0.000793 -0.002526 -0.003425 -0.006855 -0.002252 -0.003602 29O 2dz2 0.001391 0.031320 -0.000215 -0.005536 0.008798 -0.007042 29O 2dxz -0.006516 -0.033453 -0.006198 -0.002939 -0.010778 0.003624 29O 2dyz 0.002501 0.029060 0.001366 -0.005293 0.009359 -0.006751 29O 2dx2y2 0.003048 -0.014131 0.000425 0.000558 -0.003720 0.001967 29O 2dxy 0.000130 0.008519 0.009653 0.023156 0.007659 0.009138 29O 1f0 -0.000298 -0.002201 0.001560 0.004640 -0.000049 0.002327 29O 1f+1 -0.000091 -0.001931 -0.000803 -0.001820 -0.001035 -0.000611 29O 1f-1 -0.000200 -0.003665 0.001733 0.005383 -0.000295 0.002851 29O 1f+2 0.000186 0.002035 -0.000529 -0.001935 0.000157 -0.001060 29O 1f-2 0.000563 0.003401 0.001847 0.003799 0.001976 0.001307 29O 1f+3 -0.000264 -0.001291 -0.000871 -0.001654 -0.000736 -0.000487 29O 1f-3 0.000152 -0.001655 -0.000815 -0.001721 -0.000787 -0.000761 30O 1s -0.006434 0.006860 0.000776 0.002252 0.009281 -0.001058 30O 2s -0.016145 0.016530 0.001492 0.005646 0.022032 -0.002658 30O 3s 0.032221 -0.018669 0.005931 -0.012872 -0.024606 0.008029 30O 4s 0.006014 -0.042909 0.003881 -0.025891 -0.156908 -0.003871 30O 5s 0.248062 -1.000572 -0.737151 0.419950 0.432746 -0.144132 30O 1pz -0.051717 -0.007845 -0.024680 -0.021235 0.071311 0.022238 30O 1px 0.085964 -0.030600 0.004691 -0.017567 -0.057138 -0.007824 30O 1py 0.038995 0.045690 0.042820 -0.014440 -0.046380 -0.023569 30O 2pz -0.061475 0.026380 -0.005450 -0.047163 0.077889 0.036855 30O 2px 0.077053 -0.065047 -0.010212 -0.000220 -0.035509 -0.022522 30O 2py 0.043565 -0.017840 0.026719 -0.017143 -0.058336 -0.044751 30O 3pz -0.038170 0.099980 0.120379 0.014559 -0.101361 0.086262 30O 3px 0.328113 -0.508066 -0.390501 0.111817 -0.051921 -0.121417 30O 3py 0.034986 0.211434 -0.105171 0.130973 0.168811 -0.089551 30O 1dz2 0.002007 -0.003130 -0.002257 0.000936 -0.001275 0.000386 30O 1dxz 0.001754 -0.003296 -0.001350 -0.000665 0.000042 -0.000321 30O 1dyz -0.000855 -0.001483 0.001404 -0.000344 -0.002102 -0.000670 30O 1dx2y2 -0.004054 0.002205 0.004390 0.000106 -0.002555 0.000443 30O 1dxy -0.001605 0.002531 -0.000075 -0.001105 0.001970 0.001156 30O 2dz2 0.003336 -0.000646 0.002735 -0.001168 -0.001235 -0.002033 30O 2dxz 0.001263 0.015213 0.016024 -0.009732 -0.010510 0.005779 30O 2dyz -0.002113 0.022906 0.028106 -0.015844 -0.026850 0.001624 30O 2dx2y2 -0.010408 0.003356 0.003775 -0.002460 -0.002552 -0.005383 30O 2dxy 0.000762 -0.009034 -0.017143 0.012031 0.012814 -0.009123 30O 1f0 0.000485 0.000004 -0.000640 0.000506 0.000418 -0.000502 30O 1f+1 0.000335 -0.000456 -0.000397 0.000005 0.000092 -0.000143 30O 1f-1 0.000203 -0.000100 -0.000372 -0.000289 0.000262 0.000393 30O 1f+2 0.000317 0.001068 0.000288 -0.000231 0.000105 0.000204 30O 1f-2 -0.000741 0.001984 0.002334 -0.001016 -0.000615 0.000686 30O 1f+3 0.000756 -0.001100 -0.001446 0.000782 -0.000240 -0.000016 30O 1f-3 -0.000243 0.001077 0.000686 -0.000627 0.000072 0.000760 31O 1s -0.006632 0.006878 0.000690 -0.002477 0.009236 -0.000744 31O 2s -0.016760 0.016507 0.001254 -0.006198 0.021890 -0.001873 31O 3s 0.035670 -0.017368 0.006885 0.013789 -0.023825 0.006484 31O 4s 0.000106 -0.046478 0.003391 0.025194 -0.158644 -0.002635 31O 5s 0.266576 -0.998313 -0.760802 -0.380638 0.424184 -0.170862 31O 1pz 0.050077 0.006064 0.023786 -0.023193 -0.069195 -0.020971 31O 1px -0.088985 0.029801 -0.005630 -0.018505 0.056863 0.008798 31O 1py -0.038714 -0.045512 -0.043981 -0.010169 0.045613 0.023850 31O 2pz 0.057812 -0.030106 0.002908 -0.048784 -0.075317 -0.034017 31O 2px -0.078280 0.065581 0.010538 -0.001810 0.036215 0.022435 31O 2py -0.042683 0.017886 -0.027614 -0.013447 0.058132 0.045964 31O 3pz 0.027980 -0.098981 -0.122332 0.012966 0.090773 -0.103218 31O 3px -0.308423 0.517704 0.400571 0.099669 0.053380 0.146282 31O 3py -0.012216 -0.198874 0.114250 0.142440 -0.164759 0.092658 31O 1dz2 0.001959 -0.003179 -0.002322 -0.000759 -0.001227 0.000174 31O 1dxz 0.001216 -0.003534 -0.001367 0.000707 -0.000060 -0.000491 31O 1dyz -0.001051 -0.001606 0.001399 0.000216 -0.002096 -0.000496 31O 1dx2y2 -0.003607 0.002426 0.004422 -0.000285 -0.002492 0.000942 31O 1dxy -0.001297 0.002754 0.000040 0.001179 0.002008 0.001097 31O 2dz2 0.002608 -0.000820 0.002884 0.001043 -0.001220 -0.002019 31O 2dxz 0.001055 0.015291 0.016786 0.009289 -0.009945 0.006355 31O 2dyz 0.000067 0.024139 0.029009 0.014211 -0.026212 0.002362 31O 2dx2y2 -0.012120 0.002803 0.003900 0.001858 -0.002505 -0.005251 31O 2dxy -0.000400 -0.009655 -0.017998 -0.011896 0.012497 -0.009603 31O 1f0 -0.000396 0.000047 0.000680 0.000526 -0.000399 0.000596 31O 1f+1 -0.000181 0.000511 0.000396 -0.000011 -0.000078 0.000161 31O 1f-1 -0.000155 0.000099 0.000357 -0.000325 -0.000241 -0.000327 31O 1f+2 -0.000410 -0.001137 -0.000311 -0.000219 -0.000112 -0.000124 31O 1f-2 0.000524 -0.002098 -0.002407 -0.000933 0.000573 -0.000785 31O 1f+3 -0.000860 0.001083 0.001494 0.000701 0.000238 0.000068 31O 1f-3 0.000111 -0.001175 -0.000737 -0.000633 -0.000094 -0.000726 32O 1s 0.008925 -0.003043 0.004833 -0.013576 0.001589 0.003581 32O 2s 0.021496 -0.006756 0.010009 -0.030202 0.003285 0.007231 32O 3s -0.030398 -0.002615 0.016681 -0.011934 0.005532 0.020226 32O 4s -0.123950 0.079157 -0.182146 0.331372 -0.058564 -0.136632 32O 5s 0.081679 0.034687 0.040178 0.405642 0.001950 -0.178953 32O 1pz 0.013964 0.034344 0.001635 0.004021 0.038167 0.004910 32O 1px -0.012613 0.023125 -0.027942 0.006431 0.015693 -0.007840 32O 1py -0.002872 0.024633 -0.041544 0.104635 -0.016743 -0.071499 32O 2pz 0.009530 0.122951 0.014437 0.008894 0.089262 0.008460 32O 2px 0.036244 0.055309 -0.061018 0.017040 0.031304 -0.042470 32O 2py 0.005942 0.050484 -0.104473 0.260863 -0.042432 -0.176582 32O 3pz 0.104529 0.389553 -0.049100 0.108748 0.118245 -0.191004 32O 3px -0.246085 0.050479 0.325151 -0.484309 0.114849 0.400586 32O 3py 0.000484 -0.003075 -0.000902 0.146357 -0.005249 -0.010213 32O 1dz2 -0.001152 -0.004262 0.002267 -0.007922 -0.000687 0.005282 32O 1dxz -0.001304 0.001502 0.002343 -0.006205 0.002175 0.003326 32O 1dyz -0.000754 -0.007812 -0.000427 -0.000413 -0.003701 0.001527 32O 1dx2y2 0.001340 0.000576 -0.000074 0.000877 0.000349 -0.000685 32O 1dxy 0.000896 -0.002205 -0.003031 0.006828 -0.002159 -0.003832 32O 2dz2 0.001642 0.029912 -0.000177 0.004114 0.008294 -0.006750 32O 2dxz -0.006442 -0.034107 -0.006109 0.004808 -0.011056 0.003499 32O 2dyz 0.002752 0.030136 0.001586 0.003938 0.009542 -0.007130 32O 2dx2y2 0.003404 -0.015016 0.000238 0.000100 -0.003918 0.001855 32O 2dxy -0.000924 0.006143 0.008300 -0.023417 0.007385 0.010686 32O 1f0 0.000315 0.002205 -0.001248 0.004225 0.000054 -0.002358 32O 1f+1 0.000106 0.001902 0.000792 -0.002128 0.001091 0.000817 32O 1f-1 0.000311 0.003925 -0.001547 0.005411 0.000297 -0.003208 32O 1f+2 -0.000200 -0.002169 0.000530 -0.002131 -0.000133 0.001308 32O 1f-2 -0.000488 -0.003273 -0.001630 0.003849 -0.001943 -0.001464 32O 1f+3 0.000217 0.001112 0.000728 -0.001573 0.000645 0.000526 32O 1f-3 -0.000179 0.001665 0.000728 -0.001745 0.000781 0.000816 33O 1s -0.007168 0.004655 0.001745 -0.001779 0.000586 0.009949 33O 2s -0.017958 0.011401 0.003816 -0.004857 0.001330 0.023749 33O 3s 0.034649 -0.023804 0.000698 0.015338 -0.000602 -0.027936 33O 4s 0.002567 -0.081368 -0.028748 -0.032782 -0.013864 -0.155484 33O 5s 0.513206 1.156832 -0.200329 0.151102 0.073737 0.385222 33O 1pz 0.039710 -0.045388 0.029089 -0.012030 0.031316 -0.062933 33O 1px -0.088983 0.024694 -0.000505 -0.013374 0.023799 0.095977 33O 1py -0.009535 0.007651 0.018851 0.004824 0.008471 -0.019692 33O 2pz 0.059636 -0.017511 0.027764 -0.003236 0.034003 -0.073883 33O 2px -0.091216 -0.010402 -0.003918 -0.003493 0.036212 0.076642 33O 2py -0.003592 0.012726 0.019393 0.024145 -0.007985 -0.030029 33O 3pz 0.056801 0.481381 -0.008436 -0.028973 0.121923 0.095561 33O 3px -0.413133 -0.547627 0.138172 -0.126228 -0.060955 0.096086 33O 3py -0.073948 0.122663 0.051652 -0.133067 0.160566 0.088170 33O 1dz2 0.002430 0.001127 -0.001559 0.001001 0.000143 0.002388 33O 1dxz 0.002393 0.002253 0.000405 -0.000921 -0.000046 -0.002248 33O 1dyz 0.001809 0.001940 -0.000445 0.000439 -0.001089 0.000853 33O 1dx2y2 -0.004148 -0.004036 0.001090 -0.001305 0.000154 0.000094 33O 1dxy -0.001811 -0.001909 0.001024 -0.001773 0.001508 0.000148 33O 2dz2 0.010194 0.012697 -0.006053 -0.004505 -0.011044 0.006598 33O 2dxz -0.005259 -0.038416 0.008001 -0.004721 -0.006559 -0.023298 33O 2dyz 0.007403 0.012479 -0.012403 -0.002009 -0.005057 0.013808 33O 2dx2y2 -0.002302 0.016810 0.000743 0.001540 -0.000315 0.010734 33O 2dxy -0.007712 -0.013677 0.000530 0.003447 -0.001976 -0.000978 33O 1f0 -0.000053 -0.000905 -0.000128 -0.000068 -0.000279 -0.000139 33O 1f+1 -0.001260 -0.001799 0.000800 -0.000030 0.000262 -0.000128 33O 1f-1 0.000081 -0.000043 0.000331 0.000482 0.000576 0.000840 33O 1f+2 0.000926 0.002235 -0.000654 0.000082 0.000167 -0.000063 33O 1f-2 -0.000681 -0.001130 0.000811 -0.000404 0.000084 -0.000528 33O 1f+3 0.000057 0.000851 0.000260 0.000249 0.000069 0.000137 33O 1f-3 -0.000577 -0.000604 0.000261 0.000079 -0.000285 0.000320 34O 1s -0.010103 0.001895 0.004280 0.001536 -0.008799 -0.000236 34O 2s -0.024751 0.004175 0.009691 0.004336 -0.021519 -0.000664 34O 3s 0.041207 0.005204 -0.003694 -0.016519 0.037292 0.003479 34O 4s 0.080249 -0.026070 -0.070516 0.029038 0.104999 -0.012558 34O 5s -0.104444 -0.762788 -0.087087 -0.105061 -0.798676 0.092782 34O 1pz -0.031814 0.019661 0.033894 0.015205 0.026668 -0.006783 34O 1px 0.127608 -0.021835 -0.007094 -0.002513 0.098816 -0.013936 34O 1py -0.012666 0.002135 -0.026551 -0.008251 -0.029441 -0.013927 34O 2pz -0.027228 0.000498 0.030618 0.011121 0.036246 -0.016986 34O 2px 0.115610 -0.066660 0.003583 0.000595 0.052111 -0.025285 34O 2py -0.035057 0.018898 -0.023922 0.013477 -0.013437 -0.016299 34O 3pz -0.153425 0.229978 0.114954 0.023162 -0.002070 0.023617 34O 3px 0.150875 -0.605497 -0.189445 0.015493 -0.254843 0.013687 34O 3py 0.263816 0.071175 -0.100507 -0.150862 -0.003855 -0.010768 34O 1dz2 0.001258 -0.001544 -0.000698 0.000564 0.001273 -0.000464 34O 1dxz 0.002210 -0.002123 -0.001386 0.000421 -0.001649 -0.000415 34O 1dyz 0.000112 -0.000828 -0.000818 -0.000687 -0.000120 0.000234 34O 1dx2y2 -0.002827 0.006044 0.001731 -0.000857 0.000492 -0.000644 34O 1dxy -0.000941 0.001124 0.001920 0.000493 0.004144 -0.000853 34O 2dz2 0.007863 0.012252 0.002759 -0.002088 0.026892 0.005584 34O 2dxz 0.006500 0.000461 -0.004291 0.000651 -0.006985 0.000520 34O 2dyz 0.003850 -0.006572 0.007138 -0.002023 0.014973 0.000077 34O 2dx2y2 -0.015043 -0.015989 0.002863 -0.003694 -0.026750 0.004450 34O 2dxy 0.003072 0.019747 0.008592 -0.006895 0.030038 0.002310 34O 1f0 -0.000195 -0.000477 -0.000082 0.000108 -0.000147 -0.000324 34O 1f+1 -0.000238 0.001512 0.000557 -0.000146 0.001361 -0.000002 34O 1f-1 0.000201 -0.000546 -0.000420 -0.000235 -0.000686 0.000409 34O 1f+2 0.000365 -0.000202 -0.000900 0.000149 -0.000360 0.000108 34O 1f-2 0.000428 -0.000557 -0.000219 0.000329 0.000241 -0.000177 34O 1f+3 0.000156 0.001336 0.000471 -0.000186 0.001171 0.000320 34O 1f-3 0.000540 -0.001797 -0.001116 0.000446 -0.001556 -0.000088 35O 1s -0.010657 -0.007273 -0.000099 0.002477 0.003244 -0.005420 35O 2s -0.025930 -0.016804 -0.000949 0.006392 0.007869 -0.013592 35O 3s 0.039201 0.006410 0.013366 -0.018149 -0.011892 0.033145 35O 4s 0.097039 0.107356 -0.036889 -0.028269 -0.039557 0.054447 35O 5s -0.074780 0.766503 -0.117351 0.556633 0.033315 -1.113365 35O 1pz -0.002447 -0.026742 0.017402 0.017515 -0.019254 0.024074 35O 1px 0.136727 -0.002380 0.001882 -0.011812 -0.044074 0.054716 35O 1py 0.045980 -0.047390 0.013266 -0.017232 -0.009187 0.061312 35O 2pz 0.021472 0.010895 0.014737 0.023279 -0.034093 -0.010024 35O 2px 0.129972 0.068373 0.001675 0.017369 -0.041496 -0.036238 35O 2py 0.056044 0.000358 0.009385 -0.024937 0.016852 0.028973 35O 3pz -0.280702 -0.405046 0.046781 -0.008593 0.012763 0.221403 35O 3px 0.276210 0.389077 -0.216313 0.261596 -0.058922 -0.437268 35O 3py -0.067916 -0.150855 -0.051124 0.222219 -0.174009 -0.148669 35O 1dz2 0.002437 0.003041 -0.000391 0.001053 -0.001086 -0.001266 35O 1dxz 0.001899 0.000550 -0.002308 0.002264 -0.000485 -0.004404 35O 1dyz 0.000425 -0.002250 -0.000845 0.001413 -0.000597 -0.001333 35O 1dx2y2 -0.004218 -0.003226 0.001377 -0.001079 0.000821 0.002897 35O 1dxy -0.001736 -0.004443 -0.000104 -0.001319 0.000333 -0.000051 35O 2dz2 0.007283 -0.008866 0.001781 -0.012250 0.000181 0.018390 35O 2dxz 0.005228 0.007409 -0.005550 0.008857 -0.000031 -0.020241 35O 2dyz -0.005994 0.009932 -0.007062 0.012793 0.006573 -0.021505 35O 2dx2y2 -0.010698 0.017686 -0.004697 0.010485 0.009684 -0.026975 35O 2dxy -0.009176 0.018661 -0.009538 0.021929 0.003403 -0.046577 35O 1f0 -0.000565 -0.000463 0.000742 -0.000358 -0.000162 0.000904 35O 1f+1 -0.000418 -0.001579 0.000461 -0.001290 -0.000184 0.001919 35O 1f-1 -0.000174 -0.001709 0.000770 -0.000692 -0.000030 0.001601 35O 1f+2 0.000646 0.001209 -0.000500 0.000284 -0.000314 -0.000912 35O 1f-2 0.000123 -0.000344 -0.000479 0.000757 -0.000217 -0.000633 35O 1f+3 0.000173 -0.001037 -0.000262 0.000465 -0.000414 0.000664 35O 1f-3 -0.000460 -0.001610 0.000971 -0.002006 0.000039 0.002921 180 181 182 183 184 185 0.39483 0.39602 0.39785 0.40000 0.40213 0.40357 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s 0.000567 -0.000273 -0.000977 -0.001128 0.000159 -0.000233 0Rh 2s -0.001347 0.001309 0.002326 0.005855 -0.001548 0.000073 0Rh 3s 0.002471 -0.000777 -0.004253 -0.002941 -0.000033 -0.001311 0Rh 4s 0.005609 -0.005924 -0.009695 -0.026772 0.007285 0.000067 0Rh 5s 0.002335 0.006891 -0.003797 0.036098 -0.013390 -0.007153 0Rh 6s -0.037922 0.003667 0.064138 -0.009917 0.014184 0.028350 0Rh 7s 0.219105 0.043539 -0.197012 0.274443 -0.186019 -0.298692 0Rh 8s 0.010124 -0.070552 -0.752850 0.566539 0.105049 0.286843 0Rh 1pz 0.005338 0.000253 0.008565 -0.007661 -0.000554 -0.005870 0Rh 1px 0.003729 -0.001350 0.002414 -0.000442 0.003199 0.002127 0Rh 1py -0.010552 0.004166 0.006035 0.000755 -0.003421 -0.000040 0Rh 2pz -0.018400 -0.000859 -0.029787 0.026008 0.002082 0.020515 0Rh 2px -0.012961 0.004737 -0.008128 0.001352 -0.010691 -0.007139 0Rh 2py 0.036427 -0.014415 -0.020716 -0.002662 0.011864 0.000109 0Rh 3pz 0.016777 0.000537 0.032159 -0.015875 -0.005383 -0.024178 0Rh 3px 0.013889 -0.005865 0.003858 0.002084 0.003557 0.003011 0Rh 3py -0.034268 0.014201 0.017149 0.003568 -0.012128 0.000442 0Rh 4pz 0.024152 0.002325 0.019650 -0.064902 0.012202 -0.004333 0Rh 4px 0.008581 -0.000310 0.023165 -0.014367 0.035329 0.021415 0Rh 4py -0.043093 0.014789 0.033785 -0.000988 -0.010637 -0.002143 0Rh 5pz -0.000620 -0.004980 0.042614 0.061441 -0.040619 -0.059217 0Rh 5px 0.021284 -0.012120 -0.017462 0.023816 -0.022971 -0.014060 0Rh 5py -0.015106 0.008685 -0.011374 0.009301 -0.005990 0.005152 0Rh 6pz -0.023533 0.077834 -0.529493 -0.200367 0.409575 0.833322 0Rh 6px -0.368076 0.120389 0.032032 -0.403503 -0.182462 -0.003461 0Rh 6py 0.326555 -0.288337 0.035288 -0.127063 0.004179 -0.099462 0Rh 1dz2 -0.001207 0.001174 0.006084 0.007263 0.008170 -0.000633 0Rh 1dxz 0.002492 -0.000893 -0.003019 0.002038 0.002881 0.003802 0Rh 1dyz 0.002438 0.000290 -0.007397 -0.002241 -0.000755 -0.003812 0Rh 1dx2y2 -0.001384 0.004299 -0.004408 -0.004175 -0.006661 0.001630 0Rh 1dxy 0.001580 -0.007805 0.005666 -0.003713 0.003868 0.000019 0Rh 2dz2 -0.000156 0.000121 -0.000990 -0.000107 -0.000982 -0.000260 0Rh 2dxz 0.000210 0.000322 0.000290 -0.000772 -0.000327 -0.000449 0Rh 2dyz 0.000018 -0.000214 0.000452 -0.000132 0.000614 -0.000025 0Rh 2dx2y2 0.000290 -0.000348 0.001014 0.000708 0.001485 0.000065 0Rh 2dxy -0.000719 0.001231 0.000484 0.000576 -0.000395 -0.000145 0Rh 3dz2 0.002879 -0.002602 -0.007085 -0.012909 -0.010997 0.002227 0Rh 3dxz -0.005495 0.000310 0.004398 -0.000446 -0.003943 -0.005168 0Rh 3dyz -0.004613 0.000471 0.011800 0.004676 -0.001094 0.007138 0Rh 3dx2y2 0.001334 -0.006462 0.003853 0.004645 0.006069 -0.003308 0Rh 3dxy 0.000103 0.009362 -0.012529 0.004436 -0.005521 0.000557 0Rh 4dz2 -0.000542 -0.000988 -0.021240 -0.011026 -0.023085 -0.002810 0Rh 4dxz 0.000234 0.005568 0.007399 -0.014295 -0.008019 -0.010681 0Rh 4dyz -0.001616 -0.005567 0.014233 0.000833 0.008818 0.004025 0Rh 4dx2y2 0.005880 -0.010385 0.019589 0.015927 0.028633 -0.000524 0Rh 4dxy -0.011961 0.025082 0.000024 0.012602 -0.009972 -0.002068 0Rh 5dz2 0.015442 0.004416 0.037791 -0.014944 0.027806 0.023758 0Rh 5dxz -0.032412 -0.020430 -0.008047 0.075539 0.012731 0.008216 0Rh 5dyz -0.029450 0.049060 0.012791 0.016669 -0.027676 0.024183 0Rh 5dx2y2 -0.018220 0.010578 -0.045773 -0.059452 -0.076419 -0.020847 0Rh 5dxy 0.046817 -0.024386 -0.065244 -0.033222 0.006927 0.012682 0Rh 1f0 -0.002659 0.002720 -0.000551 -0.001159 -0.001435 0.001500 0Rh 1f+1 -0.000968 -0.002031 -0.000101 0.000817 0.000332 0.002506 0Rh 1f-1 -0.001334 0.003093 0.003013 0.001112 -0.006299 -0.004064 0Rh 1f+2 -0.002882 0.001842 -0.000394 -0.000062 0.003360 0.003126 0Rh 1f-2 -0.000676 -0.005266 0.000436 0.001454 -0.003590 -0.001419 0Rh 1f+3 0.000629 0.000088 0.000849 0.000487 -0.000039 -0.000019 0Rh 1f-3 -0.000777 0.002530 -0.001115 0.000149 0.000843 0.001223 1Rh 1s -0.000496 -0.000376 0.000953 0.001072 0.000359 0.000000 1Rh 2s 0.001060 0.001557 -0.002214 -0.005500 -0.002476 -0.000877 1Rh 3s -0.002232 -0.001222 0.004179 0.002838 0.000555 -0.000541 1Rh 4s -0.004331 -0.006962 0.009190 0.025135 0.011494 0.004327 1Rh 5s -0.003485 0.006542 0.004363 -0.033603 -0.018406 -0.011300 1Rh 6s 0.035887 0.010304 -0.063786 0.008571 0.013125 0.023526 1Rh 7s -0.197002 0.020963 0.198503 -0.245737 -0.212057 -0.305755 1Rh 8s -0.025025 -0.138226 0.747861 -0.590471 0.014997 0.226191 1Rh 1pz 0.005017 -0.000598 0.008373 -0.007762 -0.000174 0.005873 1Rh 1px 0.004135 0.001268 0.002423 -0.000032 -0.003152 -0.001858 1Rh 1py -0.010928 -0.004738 0.005876 0.000552 0.003627 0.000079 1Rh 2pz -0.017337 0.002078 -0.029110 0.026384 0.000398 -0.020527 1Rh 2px -0.014360 -0.004470 -0.008159 -0.000024 0.010518 0.006226 1Rh 2py 0.037711 0.016378 -0.020167 -0.001970 -0.012583 -0.000262 1Rh 3pz 0.016614 -0.002208 0.031225 -0.016740 0.003682 0.024202 1Rh 3px 0.015150 0.005953 0.003872 0.002618 -0.003218 -0.002423 1Rh 3py -0.035186 -0.015818 0.016659 0.003118 0.013007 0.000059 1Rh 4pz 0.019623 -0.001744 0.019984 -0.063205 -0.017634 0.004334 1Rh 4px 0.010222 -0.001231 0.023285 -0.010028 -0.035738 -0.019230 1Rh 4py -0.045804 -0.018006 0.033026 -0.002638 0.010704 0.000926 1Rh 5pz 0.005801 0.000303 0.040069 0.055832 0.044837 0.058920 1Rh 5px 0.023573 0.014001 -0.017845 0.020567 0.023884 0.011799 1Rh 5py -0.012688 -0.007563 -0.011194 0.011551 0.007940 -0.002201 1Rh 6pz -0.059278 -0.032692 -0.501025 -0.146873 -0.415746 -0.810354 1Rh 6px -0.406091 -0.132601 0.038208 -0.414247 0.145258 -0.006010 1Rh 6py 0.327118 0.282231 0.037911 -0.158386 -0.033812 0.073734 1Rh 1dz2 0.001517 0.001918 -0.006034 -0.007967 0.007555 -0.001600 1Rh 1dxz -0.003050 -0.001200 0.002932 -0.002287 0.002091 0.003052 1Rh 1dyz -0.002084 -0.000502 0.007336 0.002291 -0.000698 -0.003291 1Rh 1dx2y2 0.001353 0.003865 0.004558 0.004900 -0.006286 0.001826 1Rh 1dxy -0.002286 -0.007023 -0.006083 0.003310 0.004396 0.000254 1Rh 2dz2 0.000134 0.000043 0.000984 0.000190 -0.000952 -0.000202 1Rh 2dxz -0.000055 0.000323 -0.000268 0.000780 -0.000201 -0.000368 1Rh 2dyz -0.000006 -0.000177 -0.000454 0.000085 0.000637 -0.000022 1Rh 2dx2y2 -0.000329 -0.000261 -0.001015 -0.000850 0.001377 -0.000097 1Rh 2dxy 0.000858 0.001257 -0.000423 -0.000515 -0.000472 -0.000220 1Rh 3dz2 -0.003358 -0.003651 0.007024 0.013865 -0.009994 0.003758 1Rh 3dxz 0.005885 0.000879 -0.004328 0.000870 -0.003017 -0.004132 1Rh 3dyz 0.003908 0.001779 -0.011674 -0.004577 -0.001299 0.006161 1Rh 3dx2y2 -0.001112 -0.006030 -0.004124 -0.005388 0.005845 -0.002977 1Rh 3dxy 0.000627 0.007808 0.013045 -0.003943 -0.006173 0.000443 1Rh 4dz2 -0.000097 -0.002966 0.021020 0.012990 -0.021804 -0.000634 1Rh 4dxz 0.002558 0.005910 -0.006993 0.014711 -0.005184 -0.008524 1Rh 4dyz 0.001452 -0.004152 -0.014353 -0.001528 0.009118 0.003517 1Rh 4dx2y2 -0.006417 -0.008628 -0.019806 -0.018760 0.026491 -0.003164 1Rh 4dxy 0.014672 0.024525 0.001266 -0.011281 -0.011717 -0.003405 1Rh 5dz2 -0.016323 0.005792 -0.036617 0.012574 0.026158 0.020633 1Rh 5dxz 0.023928 -0.018861 0.007121 -0.075192 0.003763 0.003296 1Rh 5dyz 0.025461 0.050506 -0.009836 -0.014187 -0.030372 0.019914 1Rh 5dx2y2 0.022213 0.006782 0.045477 0.066148 -0.065890 -0.006592 1Rh 5dxy -0.051898 -0.030663 0.063919 0.030713 0.011231 0.017496 1Rh 1f0 -0.002870 -0.002728 -0.000568 -0.001119 0.001292 -0.001608 1Rh 1f+1 -0.000990 0.001942 0.000179 0.000970 -0.000328 -0.002503 1Rh 1f-1 -0.000790 -0.003328 0.002670 0.000523 0.006380 0.004249 1Rh 1f+2 -0.003188 -0.001853 -0.000383 0.000502 -0.003107 -0.002743 1Rh 1f-2 -0.000601 0.005174 0.000792 0.001285 0.003687 0.001427 1Rh 1f+3 0.000902 -0.000134 0.000808 0.000426 0.000111 0.000088 1Rh 1f-3 -0.000732 -0.002421 -0.001308 0.000157 -0.000745 -0.001101 2C 1s 0.000142 0.003948 0.005104 -0.023655 0.011181 -0.009484 2C 2s 0.000162 0.002172 0.016983 -0.049581 0.025183 -0.019281 2C 3s 0.009229 0.235535 -0.228788 -0.024308 -0.049141 -0.033496 2C 4s -0.058611 -1.632784 1.218343 1.148143 -0.169588 0.599714 2C 5s 0.031756 4.009886 -2.499663 -4.907169 0.199437 -2.533070 2C 1pz 0.005123 0.120007 -0.145961 0.056717 -0.097629 -0.017219 2C 1px 0.016208 0.041036 -0.077419 0.048799 0.009228 0.015570 2C 1py 0.018669 0.078685 -0.090425 0.031561 -0.042648 0.013489 2C 2pz -0.023225 -0.016867 0.010911 -0.041021 -0.156292 -0.096537 2C 2px 0.089889 0.099582 -0.213598 0.193875 0.159949 0.087026 2C 2py 0.052179 0.002295 0.008972 -0.052604 0.034744 -0.004526 2C 3pz -0.017717 -1.064943 1.321443 -0.415060 0.285778 0.320334 2C 3px -0.093895 -0.356187 0.629013 -0.380940 -0.578520 0.040052 2C 3py -0.214320 -0.691022 0.611277 -0.424039 0.239533 -0.753160 2C 1dz2 -0.000965 -0.002203 0.001749 -0.001619 -0.000362 -0.002997 2C 1dxz 0.001026 0.001160 -0.001837 0.002568 0.004479 0.000157 2C 1dyz -0.000442 -0.002956 0.004419 -0.002333 0.000536 0.000791 2C 1dx2y2 -0.001088 -0.000514 0.000199 -0.000076 -0.000773 -0.002970 2C 1dxy 0.000833 0.000179 -0.000503 0.000096 0.003983 0.000459 2C 2dz2 -0.022327 -0.101308 0.108729 -0.087884 0.051219 -0.071488 2C 2dxz -0.003652 -0.058282 0.064160 -0.003835 0.080794 -0.040187 2C 2dyz -0.003979 -0.149245 0.182506 -0.073717 0.081152 0.024110 2C 2dx2y2 0.004282 0.054962 -0.067914 0.027047 0.006510 -0.026989 2C 2dxy -0.001390 -0.025458 0.042546 0.011359 0.041612 0.017463 2C 1f0 0.000374 -0.005077 0.003195 0.000969 0.003394 0.000813 2C 1f+1 0.000006 -0.004729 0.004643 0.002006 0.002897 0.002475 2C 1f-1 -0.002407 -0.020743 0.021698 -0.002913 0.003590 0.000935 2C 1f+2 -0.000282 0.015383 -0.011706 -0.006802 -0.002666 -0.005958 2C 1f-2 -0.001283 -0.016219 0.014430 0.008332 0.002265 0.003262 2C 1f+3 0.000702 0.006575 -0.002774 -0.009667 0.006358 -0.006195 2C 1f-3 0.001702 0.002007 -0.002881 -0.000339 0.002811 0.001481 3C 1s 0.004435 -0.006939 -0.006952 -0.017180 -0.000099 0.006894 3C 2s 0.016932 -0.009822 -0.013556 -0.035873 0.000725 0.015472 3C 3s -0.283062 -0.187346 -0.046779 -0.030380 -0.034538 -0.032120 3C 4s 1.571020 1.468342 0.571534 0.890068 0.222623 -0.068633 3C 5s -3.356313 -3.438809 -2.472513 -3.481509 -0.967919 0.351412 3C 1pz -0.073128 -0.034713 -0.013501 0.003395 -0.030087 -0.014439 3C 1px -0.080486 -0.035467 -0.009347 0.064494 -0.009845 -0.010223 3C 1py 0.186887 0.072359 0.017515 -0.013059 0.029829 0.050459 3C 2pz 0.110074 0.060723 -0.044486 -0.076048 -0.060745 -0.000069 3C 2px -0.078645 -0.059715 -0.010916 0.279561 0.013931 0.014448 3C 2py 0.061857 -0.039592 0.064344 0.123362 0.033691 0.010602 3C 3pz 0.564302 0.391750 0.131619 0.103662 0.328002 -0.405219 3C 3px 0.608709 0.396247 -0.032512 -0.556811 -0.102217 -0.171340 3C 3py -1.569206 -0.901802 0.047225 0.289832 0.081045 -0.674455 3C 1dz2 -0.000862 -0.000093 -0.001129 -0.002240 -0.001610 0.002263 3C 1dxz 0.000471 -0.001140 0.001638 0.005098 0.000426 0.002187 3C 1dyz -0.004832 -0.002646 0.001611 0.003455 0.001003 -0.002217 3C 1dx2y2 -0.001462 -0.001564 0.000774 0.002782 -0.000546 0.001677 3C 1dxy -0.001597 0.000062 -0.001002 -0.002931 -0.002369 -0.000868 3C 2dz2 -0.051083 -0.016995 -0.012413 -0.012304 -0.026580 0.033951 3C 2dxz 0.076614 0.040331 -0.003892 -0.027434 0.007052 0.046168 3C 2dyz -0.177124 -0.086340 0.000083 0.066524 -0.007022 -0.092958 3C 2dx2y2 -0.133603 -0.073007 -0.006574 0.043071 -0.028996 0.017595 3C 2dxy -0.138606 -0.055381 -0.008847 -0.019239 -0.031342 -0.033619 3C 1f0 -0.010575 -0.002990 0.000217 0.002680 -0.001360 -0.000319 3C 1f+1 -0.000274 0.000615 0.000990 0.004764 0.001250 0.001025 3C 1f-1 0.004292 0.003771 0.002898 0.007537 0.001077 -0.002994 3C 1f+2 -0.025171 -0.019718 -0.006935 -0.005507 -0.002696 -0.001011 3C 1f-2 -0.019182 -0.013855 -0.005042 -0.008468 -0.003505 -0.002006 3C 1f+3 0.013554 0.008211 0.001084 -0.002584 0.001463 0.004789 3C 1f-3 -0.002430 -0.000780 -0.000248 0.000310 -0.001150 -0.002792 4C 1s 0.002007 0.025477 -0.016442 -0.010414 0.002442 -0.005577 4C 2s 0.004392 0.056582 -0.036908 -0.021416 0.004833 -0.011746 4C 3s 0.003174 -0.122419 0.122122 -0.033196 0.004509 0.004989 4C 4s -0.125061 -0.418634 -0.008002 0.628004 -0.104749 0.214065 4C 5s 0.309290 1.450848 -2.213951 1.443615 0.077732 0.488189 4C 1pz 0.010860 0.067968 -0.137001 0.121969 -0.169051 0.068442 4C 1px 0.038116 0.061768 -0.073066 0.082807 0.062239 0.052286 4C 1py 0.002702 0.068353 -0.122711 0.087998 -0.034048 -0.060968 4C 2pz -0.006959 -0.130823 0.002712 0.099406 -0.118774 0.188281 4C 2px 0.059691 -0.076465 0.175182 0.282618 0.139584 0.200504 4C 2py -0.050976 -0.113719 0.005519 0.126276 0.134730 -0.261447 4C 3pz -0.076208 -0.163121 0.142040 -0.932178 0.081159 -1.127564 4C 3px -0.280990 -0.450046 0.605627 -0.445511 0.105657 -0.319145 4C 3py 0.134989 -0.306788 0.582818 -0.514708 -0.514966 0.712752 4C 1dz2 0.003327 0.004525 -0.009247 0.008026 -0.001610 0.003835 4C 1dxz -0.000957 -0.002490 0.000551 -0.000787 -0.013673 -0.000644 4C 1dyz 0.000124 0.001689 -0.005787 0.007995 -0.006552 -0.000145 4C 1dx2y2 -0.001276 -0.003172 0.007865 -0.006051 0.006384 -0.000742 4C 1dxy -0.003022 -0.003338 0.006538 -0.002349 -0.005729 -0.000223 4C 2dz2 0.017360 0.169185 -0.179060 0.016687 -0.055491 0.064798 4C 2dxz -0.009162 0.013859 0.025448 0.101071 -0.071360 0.053315 4C 2dyz 0.002091 0.176637 -0.205416 0.061976 -0.047811 -0.022242 4C 2dx2y2 -0.023749 -0.087584 0.120218 -0.034276 0.042881 0.024925 4C 2dxy -0.011045 -0.013991 0.026213 0.020398 -0.018103 -0.000447 4C 1f0 0.000724 -0.000309 0.003012 0.000074 -0.002225 0.003513 4C 1f+1 0.000716 -0.000193 0.001893 -0.002721 -0.001340 -0.000197 4C 1f-1 -0.000122 -0.011692 0.011656 -0.004533 0.004999 0.000482 4C 1f+2 -0.000528 0.005948 -0.009600 -0.000008 -0.000844 0.003141 4C 1f-2 0.000567 -0.006901 0.008093 0.000797 -0.000516 0.004830 4C 1f+3 -0.000422 -0.000837 -0.003152 -0.005197 0.001332 -0.002903 4C 1f-3 0.002520 0.005643 -0.005177 -0.006236 -0.002011 0.000839 5C 1s -0.020131 -0.020065 -0.008843 -0.005927 -0.000929 -0.001044 5C 2s -0.045511 -0.044090 -0.019250 -0.012239 -0.001722 -0.002197 5C 3s 0.173939 0.082021 0.018333 -0.019109 -0.037714 -0.017709 5C 4s -0.163468 0.422725 0.286835 0.373695 0.294868 0.211344 5C 5s -2.442075 -1.148768 0.075270 1.082351 0.438515 -0.326803 5C 1pz -0.107039 -0.012694 0.014935 0.034456 -0.013777 -0.127009 5C 1px -0.083104 -0.064438 0.011113 0.111397 0.041529 -0.036166 5C 1py 0.171348 0.028111 -0.002432 -0.047187 0.067457 0.012110 5C 2pz -0.010566 0.064434 0.097879 0.123351 0.180875 -0.273203 5C 2px 0.032277 0.091210 0.002721 0.025101 -0.025284 -0.079474 5C 2py -0.010909 -0.120357 -0.045584 -0.070939 -0.017520 -0.244661 5C 3pz 0.264918 0.182692 -0.621707 -0.433905 -0.367140 1.021025 5C 3px 0.424098 0.589960 -0.028325 -0.677191 -0.259092 0.494514 5C 3py -0.386995 -0.330624 0.482349 0.311029 -0.108049 0.623497 5C 1dz2 -0.002403 -0.002823 0.000375 0.005354 0.001077 -0.002494 5C 1dxz -0.005027 0.002447 -0.003312 -0.005838 -0.004821 -0.005557 5C 1dyz 0.004982 0.000345 -0.002539 -0.009238 -0.001886 0.000684 5C 1dx2y2 0.009057 0.002672 0.000473 -0.012271 0.001708 0.003222 5C 1dxy 0.004177 -0.004872 0.003190 0.009015 0.006929 0.002785 5C 2dz2 0.026506 0.003506 0.003923 0.009183 0.038680 -0.057815 5C 2dxz -0.081781 -0.034523 0.014712 0.037954 -0.079798 -0.100341 5C 2dyz 0.222375 0.137650 -0.002373 -0.054201 -0.045833 0.061256 5C 2dx2y2 0.184689 0.146335 -0.015990 -0.051248 0.034947 0.023083 5C 2dxy 0.106488 0.034820 0.020296 0.037484 0.072910 0.046737 5C 1f0 -0.008832 -0.005972 -0.002883 -0.002899 -0.005440 -0.004927 5C 1f+1 -0.000765 -0.004849 -0.000379 0.001499 -0.002552 -0.000871 5C 1f-1 -0.001554 0.000305 -0.000631 -0.001943 -0.004493 0.005361 5C 1f+2 -0.012148 -0.006401 0.001299 0.002983 0.000491 -0.004214 5C 1f-2 -0.011366 -0.006394 0.001077 0.003644 0.007249 0.005321 5C 1f+3 0.009295 0.001796 0.000090 -0.001401 -0.000764 -0.000277 5C 1f-3 -0.005197 0.001338 0.000177 0.001260 0.003315 0.004294 6C 1s 0.021289 -0.020737 0.007339 0.005919 -0.001120 -0.001869 6C 2s 0.048049 -0.045507 0.015937 0.012220 -0.002170 -0.003926 6C 3s -0.178057 0.079736 -0.011880 0.021617 -0.035088 -0.019011 6C 4s 0.137184 0.467110 -0.256555 -0.391496 0.288989 0.250901 6C 5s 2.531683 -1.087551 -0.181185 -1.126069 0.308793 -0.353110 6C 1pz -0.108682 0.008570 0.014292 0.025799 0.014891 0.120651 6C 1px -0.085392 0.061863 0.015227 0.116836 -0.027504 0.044456 6C 1py 0.175268 -0.023514 -0.007016 -0.040132 -0.071178 -0.003205 6C 2pz -0.002997 -0.075256 0.083610 0.121972 -0.179730 0.263849 6C 2px 0.029907 -0.090389 -0.000778 0.019679 0.038154 0.096570 6C 2py -0.016274 0.128903 -0.041859 -0.079359 0.018408 0.259859 6C 3pz 0.266616 -0.115578 -0.615099 -0.429294 0.350169 -1.006608 6C 3px 0.407567 -0.581039 -0.043809 -0.689077 0.178167 -0.558312 6C 3py -0.405979 0.267395 0.534497 0.355496 0.120524 -0.658813 6C 1dz2 0.002412 -0.002793 -0.000522 -0.005453 0.000364 -0.002888 6C 1dxz 0.004999 0.002183 0.003421 0.006644 -0.004190 -0.004471 6C 1dyz -0.005190 -0.000037 0.002539 0.009337 -0.001127 0.000788 6C 1dx2y2 -0.009144 0.002502 -0.000241 0.012108 0.003104 0.003539 6C 1dxy -0.004188 -0.004694 -0.003377 -0.010179 0.005855 0.001577 6C 2dz2 -0.027342 0.002099 -0.001966 -0.011665 0.039544 -0.053885 6C 2dxz 0.082775 -0.031434 -0.016427 -0.027272 -0.085121 -0.104327 6C 2dyz -0.227734 0.132897 0.010955 0.057258 -0.040336 0.060480 6C 2dx2y2 -0.188626 0.141641 0.026654 0.051912 0.040862 0.021555 6C 2dxy -0.111528 0.034646 -0.015800 -0.047196 0.071972 0.041701 6C 1f0 -0.009177 0.006125 -0.002393 -0.003530 0.005515 0.004896 6C 1f+1 -0.000821 0.004913 -0.000073 0.001510 0.002686 0.000926 6C 1f-1 -0.001660 -0.000296 -0.000465 -0.002133 0.004424 -0.005362 6C 1f+2 -0.012450 0.006051 0.001701 0.002886 -0.000241 0.004144 6C 1f-2 -0.011575 0.005982 0.001546 0.004552 -0.007127 -0.005754 6C 1f+3 0.009452 -0.001496 -0.000077 -0.001269 0.000507 0.000129 6C 1f-3 -0.005266 -0.001600 0.000156 0.001517 -0.003362 -0.004529 7C 1s -0.001872 0.024148 0.018357 0.010663 0.003239 -0.004837 7C 2s -0.004254 0.053650 0.041176 0.022044 0.006513 -0.010090 7C 3s 0.007086 -0.115797 -0.132758 0.029443 0.005049 -0.000286 7C 4s 0.055974 -0.399151 -0.014443 -0.619013 -0.141110 0.210366 7C 5s -0.278744 1.325114 2.309884 -1.417236 -0.051288 0.493423 7C 1pz 0.021650 -0.061071 -0.141341 0.105278 0.173666 -0.075575 7C 1px 0.022599 -0.056693 -0.075179 0.089230 -0.051272 -0.047241 7C 1py 0.005078 -0.061243 -0.130004 0.078712 0.041231 0.060373 7C 2pz 0.002388 0.126603 0.015731 0.098084 0.124482 -0.191489 7C 2px 0.060403 0.058959 0.185946 0.302091 -0.119638 -0.193635 7C 2py -0.040175 0.110994 0.005797 0.124197 -0.122746 0.265987 7C 3pz -0.034932 0.170530 0.131405 -0.956963 -0.146748 1.134067 7C 3px -0.225607 0.402117 0.626975 -0.458481 -0.160165 0.316420 7C 3py 0.164791 0.266097 0.628350 -0.516008 0.449501 -0.723006 7C 1dz2 -0.002674 0.003905 0.009431 -0.007808 -0.002600 0.003480 7C 1dxz -0.000783 -0.002319 -0.000625 0.002156 -0.012720 0.000589 7C 1dyz -0.000558 0.001501 0.005994 -0.007121 -0.007045 -0.000113 7C 1dx2y2 0.001374 -0.002742 -0.008090 0.005284 0.006853 -0.000666 7C 1dxy 0.001679 -0.002728 -0.006710 0.002826 -0.004878 0.000409 7C 2dz2 -0.010279 0.155865 0.188492 -0.012069 -0.056430 0.072401 7C 2dxz -0.003275 0.017226 -0.025097 -0.094774 -0.075980 0.052135 7C 2dyz -0.009660 0.163905 0.221014 -0.051615 -0.051457 -0.016955 7C 2dx2y2 0.019196 -0.077962 -0.127141 0.027170 0.046237 0.021718 7C 2dxy -0.000764 -0.011756 -0.027483 -0.018916 -0.017712 0.003225 7C 1f0 0.000321 0.000079 0.003124 0.000138 0.002283 -0.003497 7C 1f+1 0.000095 0.000179 0.001917 -0.002838 0.001255 0.000425 7C 1f-1 -0.000941 0.010969 0.012617 -0.003776 -0.005054 0.000110 7C 1f+2 -0.000351 -0.005465 -0.010136 -0.000061 0.000815 -0.003417 7C 1f-2 0.000899 0.006298 0.008731 0.001115 0.000496 -0.004794 7C 1f+3 -0.000915 0.001180 -0.003097 -0.005130 -0.001575 0.002719 7C 1f-3 0.001258 -0.004986 -0.005390 -0.006374 0.001719 -0.000920 8C 1s -0.004482 -0.007978 0.006588 0.016662 0.000800 0.006077 8C 2s -0.017228 -0.012039 0.013128 0.034691 0.002723 0.013774 8C 3s 0.290884 -0.187252 0.033410 0.033158 -0.037457 -0.033370 8C 4s -1.616895 1.510096 -0.472548 -0.885985 0.204479 -0.025472 8C 5s 3.452127 -3.669656 2.257571 3.531358 -0.844630 0.217108 8C 1pz -0.075038 0.033830 -0.010351 -0.000216 0.030809 0.012825 8C 1px -0.083242 0.034850 -0.006501 0.064181 0.018708 0.015892 8C 1py 0.193072 -0.070864 0.011661 -0.007640 -0.032087 -0.045381 8C 2pz 0.114740 -0.057278 -0.048632 -0.085148 0.051223 -0.004414 8C 2px -0.082829 0.060320 -0.007304 0.287060 0.025196 0.022120 8C 2py 0.067004 0.031989 0.065936 0.131357 -0.021863 0.004351 8C 3pz 0.584385 -0.386883 0.085924 0.111052 -0.322232 0.425353 8C 3px 0.645614 -0.381872 -0.073101 -0.596453 0.024343 0.128506 8C 3py -1.609277 0.869429 0.106391 0.274955 -0.040191 0.666976 8C 1dz2 0.000925 -0.000177 0.001014 0.002256 -0.001381 0.002472 8C 1dxz -0.000515 -0.000983 -0.001709 -0.005350 -0.000185 0.001526 8C 1dyz 0.005017 -0.002453 -0.001777 -0.003588 0.000617 -0.002371 8C 1dx2y2 0.001519 -0.001405 -0.000923 -0.002857 -0.000894 0.001397 8C 1dxy 0.001548 0.000034 0.000995 0.003293 -0.002047 -0.000601 8C 2dz2 0.052193 -0.016909 0.009862 0.013596 -0.025888 0.036183 8C 2dxz -0.077942 0.038387 0.006160 0.024849 0.009859 0.047678 8C 2dyz 0.181876 -0.082312 -0.005992 -0.062118 -0.014688 -0.092007 8C 2dx2y2 0.139272 -0.070818 -0.000888 -0.043169 -0.034954 0.017822 8C 2dxy 0.141765 -0.053774 0.004700 0.023737 -0.028707 -0.027277 8C 1f0 -0.010928 0.002751 0.000608 0.002700 0.001561 -0.000083 8C 1f+1 -0.000468 -0.000475 0.000860 0.004854 -0.000740 -0.000646 8C 1f-1 0.004501 -0.004060 0.002561 0.007385 -0.000534 0.003217 8C 1f+2 -0.025906 0.020024 -0.005515 -0.005454 0.003096 0.001720 8C 1f-2 -0.019919 0.014250 -0.004119 -0.008917 0.003161 0.001778 8C 1f+3 0.013731 -0.007940 0.000529 -0.002337 -0.001879 -0.005011 8C 1f-3 -0.002603 0.000737 -0.000199 -0.000124 0.001091 0.002313 9C 1s 0.000483 0.003755 -0.004658 0.022399 0.013097 -0.009079 9C 2s 0.001310 0.002203 -0.016538 0.046662 0.029121 -0.018689 9C 3s -0.014445 0.218934 0.247802 0.033278 -0.044028 -0.023079 9C 4s 0.064350 -1.520317 -1.354802 -1.150943 -0.280609 0.518104 9C 5s -0.127893 3.735699 2.852042 4.942739 0.652715 -2.285046 9C 1pz 0.011735 -0.111000 -0.155197 0.043093 0.098209 0.012541 9C 1px 0.012470 -0.035295 -0.079659 0.048479 -0.002965 -0.012110 9C 1py 0.020637 -0.073535 -0.097445 0.026898 0.044596 -0.018707 9C 2pz -0.009477 0.015388 0.011576 -0.059843 0.143540 0.092683 9C 2px 0.059129 -0.083314 -0.217198 0.208265 -0.129322 -0.064489 9C 2py 0.047854 -0.002084 0.006375 -0.046160 -0.035548 -0.004400 9C 3pz -0.045408 0.974517 1.406347 -0.346452 -0.306966 -0.278974 9C 3px -0.029528 0.309234 0.654168 -0.411968 0.513523 -0.093182 9C 3py -0.202214 0.664408 0.658478 -0.425427 -0.265672 0.778221 9C 1dz2 0.000641 -0.002103 -0.001824 0.001758 -0.000158 -0.002957 9C 1dxz -0.000382 0.001046 0.001924 -0.002922 0.003975 -0.000394 9C 1dyz 0.000318 -0.002639 -0.004650 0.002136 0.000724 0.000759 9C 1dx2y2 0.000815 -0.000477 -0.000132 0.000271 -0.000705 -0.003011 9C 1dxy -0.000282 0.000079 0.000449 -0.000472 0.003625 0.000273 9C 2dz2 0.022295 -0.094066 -0.113331 0.082574 0.057483 -0.071544 9C 2dxz 0.007866 -0.054288 -0.067578 -0.002783 0.076950 -0.045669 9C 2dyz 0.011398 -0.138629 -0.195798 0.060994 0.085531 0.017679 9C 2dx2y2 -0.003067 0.050578 0.073415 -0.024614 0.003211 -0.026995 9C 2dxy 0.005160 -0.022662 -0.045077 -0.016633 0.039338 0.011465 9C 1f0 -0.000067 0.004706 0.003452 0.001344 -0.003058 -0.000677 9C 1f+1 -0.000355 0.004356 0.004978 0.002586 -0.002609 -0.001944 9C 1f-1 -0.002558 0.019095 0.023203 -0.002232 -0.003771 -0.000341 9C 1f+2 0.000332 -0.014849 -0.013434 -0.007578 0.001739 0.005088 9C 1f-2 -0.001428 0.014910 0.015652 0.008525 -0.001225 -0.002220 9C 1f+3 0.000367 -0.005890 -0.003131 -0.009085 -0.006945 0.005818 9C 1f-3 0.001211 -0.002067 -0.003207 -0.000414 -0.002957 -0.001047 10H 1s -0.008687 -0.013240 0.023401 -0.025719 -0.022835 -0.012163 10H 2s -0.102663 -0.116720 0.250693 -0.292160 -0.186909 -0.194069 10H 3s 0.173335 -1.211143 0.683627 1.367464 0.745748 0.708612 10H 1pz -0.002405 0.010784 -0.006311 -0.009804 -0.004324 -0.008639 10H 1px 0.005156 -0.008936 -0.000333 0.023173 0.007064 0.014645 10H 1py -0.000475 0.005141 -0.005762 -0.005001 0.002808 -0.007911 11H 1s 0.001197 0.000878 -0.006189 0.004680 0.008740 -0.016250 11H 2s 0.047156 0.075445 -0.103780 0.082275 0.022784 0.030786 11H 3s -0.112463 -1.650750 1.655985 0.633936 -0.323656 0.760621 11H 1pz 0.003734 0.019303 -0.013850 -0.001670 -0.006877 0.013075 11H 1px 0.003305 0.017561 -0.016433 -0.003926 -0.000095 0.002873 11H 1py 0.001496 -0.007251 0.006729 0.004798 -0.006727 0.010959 12H 1s 0.009610 0.003528 -0.000517 -0.002371 0.016012 0.015416 12H 2s 0.109341 0.092081 -0.090023 -0.071431 0.251354 -0.003405 12H 3s -0.289226 -1.702095 1.383993 0.694683 -0.518403 0.102556 12H 1pz -0.002704 -0.000500 -0.002605 0.003959 -0.004602 -0.011615 12H 1px 0.003437 0.013157 -0.012659 -0.004111 0.004796 -0.002110 12H 1py 0.003824 0.023681 -0.021672 -0.015295 0.014235 -0.017114 13H 1s 0.014483 0.011948 -0.011225 -0.040393 -0.011550 0.005685 13H 2s 0.143492 0.094347 -0.110451 -0.431988 -0.079948 0.013349 13H 3s 1.244494 1.035235 0.681163 1.481913 0.547114 0.030404 13H 1pz -0.009762 -0.009886 -0.006030 -0.012657 -0.001814 -0.006719 13H 1px 0.005711 0.006285 0.009962 0.026035 0.004550 -0.002669 13H 1py 0.010041 0.007183 0.002991 0.006565 -0.000165 0.002289 14H 1s 0.006164 -0.004340 0.002244 0.019144 -0.003066 0.017729 14H 2s -0.002745 -0.099303 0.008008 0.224131 0.013976 0.022787 14H 3s 1.516865 1.490197 0.508764 0.083812 0.126788 -0.256523 14H 1pz -0.011771 -0.011926 -0.003422 -0.000096 0.001939 -0.010390 14H 1px -0.021850 -0.021709 -0.004554 0.004089 -0.000837 -0.004768 14H 1py 0.005395 -0.000095 0.000275 0.003042 -0.001656 0.014175 15H 1s -0.003496 0.000470 0.000128 -0.001483 0.007796 -0.012682 15H 2s -0.116127 -0.047666 -0.041656 -0.095107 0.014952 0.076535 15H 3s 1.862184 1.433799 0.497279 0.475045 -0.024692 0.268227 15H 1pz 0.013224 0.011090 0.002629 0.006654 -0.003327 0.004483 15H 1px -0.009238 -0.006015 -0.001235 -0.000478 -0.004235 0.006122 15H 1py 0.025850 0.019027 0.010255 0.015540 0.008456 -0.018764 16H 1s 0.002998 -0.002650 0.028879 0.012536 0.052031 -0.007655 16H 2s -0.001743 -0.053346 0.433625 0.274092 0.636058 -0.067752 16H 3s 0.029768 0.047318 -0.163164 -0.247130 -0.203712 0.189421 16H 1pz 0.000451 -0.004499 0.022226 0.025352 0.023554 -0.008402 16H 1px 0.003850 0.001369 -0.009763 -0.007730 -0.003756 0.000886 16H 1py -0.000919 -0.000836 0.011162 0.004075 0.019256 0.005132 17H 1s -0.014543 0.002137 0.022086 -0.022105 0.046154 0.045401 17H 2s -0.180398 0.060004 0.221957 -0.268745 0.677090 0.605739 17H 3s 0.100293 -0.054232 0.061618 0.276143 -0.251044 -0.377489 17H 1pz 0.003450 -0.002095 -0.002903 0.010487 -0.012927 -0.017161 17H 1px 0.006329 -0.005745 0.000176 0.016261 -0.027302 -0.026419 17H 1py -0.005448 0.002261 0.010611 -0.004203 0.026127 0.016522 18H 1s 0.013006 0.003813 -0.022521 0.017345 0.047285 0.043080 18H 2s 0.165112 0.078348 -0.228788 0.193804 0.685538 0.569113 18H 3s -0.104020 -0.043922 -0.057183 -0.245899 -0.260607 -0.356604 18H 1pz 0.003328 0.002323 -0.003392 0.009179 0.014237 0.016504 18H 1px 0.006472 0.005697 -0.000252 0.012910 0.027883 0.024653 18H 1py -0.004808 -0.003271 0.010829 -0.000974 -0.025559 -0.014716 19H 1s -0.005072 0.000534 -0.028124 -0.017754 0.050772 -0.007758 19H 2s -0.034117 -0.006925 -0.423959 -0.338562 0.609361 -0.076278 19H 3s -0.009501 0.025231 0.156180 0.267149 -0.187426 0.183230 19H 1pz 0.002525 0.002059 0.021338 0.027391 -0.020915 0.008851 19H 1px 0.002952 -0.000396 -0.009781 -0.008308 0.003483 -0.001062 19H 1py 0.000137 -0.000117 0.011419 0.006693 -0.019081 -0.004262 20H 1s 0.003979 -0.000041 0.000218 0.000992 0.007747 -0.012626 20H 2s 0.126983 -0.056881 0.035789 0.084645 0.017782 0.078917 20H 3s -1.919701 1.470321 -0.403418 -0.457510 -0.002375 0.313712 20H 1pz 0.013806 -0.011495 0.002061 0.006274 0.003474 -0.004749 20H 1px -0.009669 0.006204 -0.000736 -0.000509 0.004542 -0.005571 20H 1py 0.026943 -0.019793 0.008333 0.015011 -0.008016 0.018799 21H 1s -0.006272 -0.004160 -0.002636 -0.020209 -0.006005 0.014156 21H 2s 0.000332 -0.098202 -0.011536 -0.232372 -0.021467 -0.023850 21H 3s -1.567818 1.519654 -0.403923 -0.052538 0.202327 -0.147927 21H 1pz -0.012024 0.012200 -0.002934 -0.000208 -0.001325 0.011515 21H 1px -0.022222 0.021839 -0.003338 0.004213 0.002477 0.007374 21H 1py 0.005441 0.000127 0.000484 0.003645 0.002189 -0.013528 22H 1s -0.015057 0.010704 0.011872 0.042054 -0.007033 0.008717 22H 2s -0.146738 0.082297 0.115548 0.448082 -0.031943 0.050458 22H 3s -1.273808 1.083713 -0.608386 -1.545248 0.434512 -0.018917 22H 1pz -0.009877 0.010199 -0.005460 -0.013189 0.000886 0.006178 22H 1px 0.005902 -0.007219 0.009449 0.026637 -0.002254 0.004108 22H 1py 0.010633 -0.007385 0.002501 0.006809 0.000621 -0.001465 23H 1s -0.006338 0.003076 0.000166 -0.000031 0.014754 0.015082 23H 2s -0.074564 0.079142 0.094723 0.046269 0.241368 -0.002280 23H 3s 0.226804 -1.581943 -1.509919 -0.655313 -0.551056 0.053070 23H 1pz -0.001728 0.000691 -0.002845 0.002887 0.004495 0.011641 23H 1px 0.002603 -0.011777 -0.013390 -0.003638 -0.004717 0.001713 23H 1py 0.002945 -0.021776 -0.024011 -0.014756 -0.015103 0.015891 24H 1s 0.000074 0.000370 0.006632 -0.004760 0.008360 -0.018094 24H 2s -0.030034 0.068535 0.108113 -0.085523 0.019148 0.012981 24H 3s 0.088797 -1.513873 -1.794483 -0.642532 -0.378549 0.725598 24H 1pz 0.003450 -0.018226 -0.014791 -0.001747 0.006113 -0.013598 24H 1px 0.002644 -0.016488 -0.017871 -0.003894 -0.000482 -0.003115 24H 1py 0.001778 0.006409 0.007297 0.004658 0.007051 -0.011477 25H 1s 0.005107 -0.011708 -0.023898 0.027558 -0.018726 -0.010013 25H 2s 0.062771 -0.100324 -0.252755 0.309660 -0.143767 -0.169447 25H 3s -0.041376 -1.146236 -0.797101 -1.453267 0.570056 0.567378 25H 1pz -0.001290 -0.010262 -0.007311 -0.010701 0.003191 0.007770 25H 1px 0.002866 0.008663 0.000787 0.024084 -0.004135 -0.012666 25H 1py -0.000280 -0.004459 -0.006293 -0.004857 -0.002993 0.007228 26O 1s 0.001375 0.002739 -0.001896 0.006021 -0.001491 0.000144 26O 2s 0.003218 0.006966 -0.005314 0.014202 -0.003522 0.000313 26O 3s -0.003575 -0.019216 0.021966 -0.010348 0.004988 0.001858 26O 4s -0.025738 0.020793 -0.054773 -0.095384 0.024564 -0.016808 26O 5s 0.143263 0.201638 -0.252435 -0.194699 -0.075697 0.096287 26O 1pz 0.009213 -0.005080 0.005362 -0.000005 0.071192 0.000770 26O 1px 0.027448 0.009053 -0.050600 0.084518 0.002959 0.031945 26O 1py -0.005273 -0.009173 -0.020678 0.022272 0.035101 0.018524 26O 2pz 0.001763 -0.009202 0.008976 0.018872 0.092285 -0.014894 26O 2px 0.014189 -0.029095 -0.007081 0.127760 0.012826 0.028873 26O 2py 0.000125 -0.042561 0.002110 0.047199 0.024060 0.037231 26O 3pz 0.029437 -0.088829 0.075187 -0.174766 0.033332 0.136747 26O 3px 0.023129 -0.143672 0.062768 0.229711 0.126342 0.158334 26O 3py -0.070217 -0.032777 0.055359 -0.008798 0.229240 0.017679 26O 1dz2 -0.000056 0.001777 -0.000793 -0.003442 0.000448 -0.000796 26O 1dxz -0.000172 -0.001409 0.003124 -0.002284 0.002977 -0.001598 26O 1dyz 0.000181 0.000187 0.001084 -0.000982 0.001456 -0.001186 26O 1dx2y2 -0.000300 -0.000615 -0.001793 0.004133 -0.000305 0.000111 26O 1dxy -0.000010 -0.001480 0.002542 0.003010 0.001402 0.002295 26O 2dz2 -0.008141 -0.007076 0.017630 0.004766 0.006074 0.009958 26O 2dxz -0.000034 0.005468 -0.003592 -0.009654 0.009061 -0.001541 26O 2dyz 0.004326 -0.002825 0.000654 -0.003479 0.018568 0.001159 26O 2dx2y2 -0.001788 0.006768 -0.013423 0.004148 -0.016069 0.006372 26O 2dxy 0.004942 0.007587 -0.014298 -0.006430 -0.001155 0.003310 26O 1f0 -0.000521 0.000071 0.000712 -0.000556 0.000470 0.000121 26O 1f+1 0.000194 0.000301 -0.001121 -0.000913 -0.000899 -0.000653 26O 1f-1 0.000039 0.000467 -0.000795 -0.001182 0.000378 -0.000316 26O 1f+2 -0.000091 -0.000239 0.000005 0.001262 -0.000630 -0.000254 26O 1f-2 -0.000042 0.000181 -0.000825 0.000452 -0.000489 0.000038 26O 1f+3 -0.000083 0.000182 -0.000320 0.000291 -0.000789 0.000704 26O 1f-3 0.000278 0.000163 -0.000583 -0.001141 -0.000750 -0.000443 27O 1s -0.001096 -0.002751 0.001768 0.004088 0.001695 -0.003924 27O 2s -0.002845 -0.007154 0.004082 0.010276 0.003972 -0.009374 27O 3s 0.007786 0.021708 -0.002841 -0.019879 -0.003513 0.012931 27O 4s -0.038312 -0.029643 -0.031249 -0.024696 -0.027146 0.053909 27O 5s 0.117958 -0.177471 0.080601 0.165574 0.049253 -0.143287 27O 1pz 0.008430 0.007592 0.028189 0.018259 -0.006124 0.005401 27O 1px -0.029382 0.003035 0.025449 0.093971 0.007720 -0.014362 27O 1py 0.004490 0.009624 0.004340 -0.020726 -0.024361 -0.028812 27O 2pz 0.015190 0.016722 0.019271 0.030118 -0.019247 0.026790 27O 2px -0.005323 0.043771 0.023545 0.100737 -0.001561 -0.007679 27O 2py -0.001136 0.002892 0.010439 -0.036552 -0.032865 -0.007000 27O 3pz 0.012094 -0.023500 0.053231 -0.116573 0.094591 -0.058923 27O 3px -0.185260 0.166772 -0.014547 -0.101830 0.082006 0.145464 27O 3py -0.009260 -0.105278 -0.023253 0.186477 -0.018939 -0.262212 27O 1dz2 0.000408 -0.000340 -0.000632 -0.000518 -0.000058 -0.000082 27O 1dxz 0.003371 -0.000358 -0.000828 -0.002289 0.001203 0.003710 27O 1dyz -0.000095 0.001111 0.000325 -0.000016 -0.000752 -0.000594 27O 1dx2y2 -0.001786 0.002093 0.000226 0.000330 -0.000170 0.000960 27O 1dxy -0.003895 -0.000828 -0.000998 -0.000105 -0.001970 0.000517 27O 2dz2 -0.001864 0.003509 -0.005436 -0.005076 0.002737 -0.004286 27O 2dxz 0.003249 -0.003379 -0.001736 0.000205 0.001863 0.003269 27O 2dyz -0.008212 -0.002428 0.002327 -0.006484 -0.002431 -0.001310 27O 2dx2y2 -0.002521 -0.008592 0.002071 0.021557 0.001742 -0.014189 27O 2dxy -0.004626 0.008347 -0.000935 -0.006025 -0.003402 0.003665 27O 1f0 0.000560 0.000158 0.000139 0.000503 0.000334 -0.000415 27O 1f+1 0.000811 -0.000183 0.000034 0.000343 -0.000118 -0.000158 27O 1f-1 -0.000370 0.000363 0.000185 -0.000396 -0.000100 -0.000178 27O 1f+2 -0.000087 0.000412 0.000016 0.000441 -0.000315 -0.000263 27O 1f-2 0.000772 0.000262 0.000545 0.000858 0.000337 -0.000257 27O 1f+3 -0.000436 -0.000269 -0.000238 0.000368 -0.000436 -0.000995 27O 1f-3 -0.001261 0.000507 -0.000211 0.000193 -0.000239 -0.000161 28O 1s -0.001155 -0.000046 -0.001959 0.003382 -0.007681 0.002572 28O 2s -0.002498 0.000485 -0.004852 0.008084 -0.018369 0.006380 28O 3s -0.001554 -0.011820 0.007766 -0.011317 0.022290 -0.012475 28O 4s 0.037836 0.083838 -0.025321 -0.033845 0.120990 -0.010138 28O 5s -0.093185 -0.446024 0.673010 0.121197 -0.208339 0.024060 28O 1pz 0.003040 -0.018433 -0.001336 -0.028589 -0.049278 -0.008088 28O 1px 0.014245 0.042653 -0.014452 -0.068238 0.079974 -0.015236 28O 1py -0.027944 -0.015359 0.007690 -0.022951 0.005153 -0.039850 28O 2pz -0.005639 -0.023087 -0.008675 -0.068137 -0.047517 -0.020921 28O 2px 0.014382 0.052647 -0.010779 -0.066706 0.075152 -0.021989 28O 2py -0.028111 -0.022672 0.020369 -0.028647 -0.005729 -0.041030 28O 3pz 0.024372 0.003388 -0.226460 0.082933 -0.001234 -0.041336 28O 3px 0.059179 -0.110349 0.359124 0.116151 0.065466 0.109344 28O 3py -0.006141 0.003249 -0.103299 -0.028340 0.072911 -0.124284 28O 1dz2 -0.001207 -0.002698 0.003665 -0.002220 0.001142 -0.001917 28O 1dxz 0.000776 0.002522 0.000597 -0.000686 0.002013 0.000653 28O 1dyz -0.000260 -0.000521 0.002170 -0.002457 0.000751 0.001577 28O 1dx2y2 -0.000144 0.001246 -0.004017 0.001581 -0.002505 0.000386 28O 1dxy -0.000302 0.001783 -0.002218 0.001139 0.000566 -0.001985 28O 2dz2 -0.008067 -0.007018 0.013149 -0.008770 -0.003092 0.002004 28O 2dxz -0.001037 0.015192 -0.021753 -0.008009 0.016114 0.001486 28O 2dyz -0.001141 -0.006342 0.010897 -0.012047 -0.011493 -0.009245 28O 2dx2y2 -0.001897 -0.009628 0.011962 0.015924 -0.015344 0.013991 28O 2dxy 0.000760 0.002282 -0.008675 0.000451 -0.002824 -0.005660 28O 1f0 0.000010 -0.000208 -0.000167 0.000775 -0.000276 -0.000304 28O 1f+1 -0.000268 -0.000685 0.002005 -0.000274 0.000466 0.000355 28O 1f-1 0.000067 0.000523 -0.001022 0.000034 -0.000038 -0.000268 28O 1f+2 -0.000536 0.000504 -0.000939 -0.000349 0.000748 -0.000030 28O 1f-2 -0.000120 -0.000482 0.001122 -0.000475 0.000642 -0.000293 28O 1f+3 -0.000027 0.000443 -0.000318 -0.000646 0.000835 -0.000352 28O 1f-3 0.000240 0.000041 0.000272 0.000028 0.000516 -0.000110 29O 1s -0.002712 0.001134 0.005488 -0.004200 0.008909 0.002083 29O 2s -0.006196 0.002425 0.012140 -0.009750 0.019548 0.004160 29O 3s 0.002021 0.001293 0.005875 0.008068 0.014787 0.012555 29O 4s 0.054927 -0.036129 -0.145219 0.091854 -0.247134 -0.084448 29O 5s 0.046403 0.034209 -0.118074 -0.117658 -0.212085 -0.081982 29O 1pz 0.013422 0.000733 0.016364 0.001002 0.012006 -0.040184 29O 1px 0.008898 -0.003005 0.002687 0.001218 0.011071 -0.011116 29O 1py -0.016685 0.001238 0.049525 -0.014760 0.097159 0.043963 29O 2pz 0.024154 -0.005237 0.036787 0.034919 0.019861 -0.101362 29O 2px 0.023588 -0.010430 0.017160 0.029345 0.032873 -0.013428 29O 2py -0.026639 -0.004117 0.108191 -0.026831 0.238022 0.110382 29O 3pz 0.058084 -0.055072 0.162645 0.229997 0.115892 -0.106873 29O 3px 0.007858 0.001194 -0.187866 -0.002931 -0.482951 -0.316366 29O 3py -0.053457 0.036420 0.049073 0.032180 0.035233 0.021709 29O 1dz2 -0.000025 -0.000601 0.003816 0.002766 0.006626 0.000353 29O 1dxz -0.001090 0.000339 0.002006 -0.001593 0.004506 0.004107 29O 1dyz 0.001341 -0.001015 0.001836 0.004606 0.000246 -0.004636 29O 1dx2y2 -0.000153 0.000048 -0.000445 -0.001461 -0.000589 0.000101 29O 1dxy 0.000624 0.000083 -0.001690 0.001398 -0.005380 -0.004450 29O 2dz2 -0.002176 0.003484 -0.008790 -0.011653 -0.001288 0.011047 29O 2dxz 0.001580 -0.003262 0.008951 0.011662 -0.007191 -0.013824 29O 2dyz -0.000677 0.002120 -0.007758 -0.013303 -0.001278 0.010766 29O 2dx2y2 0.002457 -0.001308 0.006373 0.004067 0.002293 -0.005371 29O 2dxy -0.006975 0.003047 0.005542 -0.001823 0.016922 0.013581 29O 1f0 -0.000338 -0.000021 0.002120 0.000667 0.003249 0.000674 29O 1f+1 0.000427 -0.000263 -0.000055 0.000738 -0.001432 -0.001547 29O 1f-1 -0.000510 -0.000114 0.002612 0.001295 0.003653 0.000528 29O 1f+2 0.000239 0.000078 -0.001230 -0.000564 -0.001119 -0.000021 29O 1f-2 -0.000957 0.000564 0.000393 -0.001531 0.002994 0.002886 29O 1f+3 0.000508 -0.000295 -0.000191 0.000833 -0.001130 -0.001073 29O 1f-3 0.000319 -0.000233 -0.000161 0.000738 -0.001378 -0.001391 30O 1s -0.002445 0.001571 0.000737 0.001307 -0.004038 -0.002955 30O 2s -0.006530 0.003202 0.001532 0.002380 -0.009959 -0.007231 30O 3s 0.018689 0.006394 0.002927 0.009788 0.020682 0.014347 30O 4s -0.058277 -0.095434 -0.032648 -0.058335 0.046274 0.026623 30O 5s 0.532978 0.352692 0.129182 -0.242258 -0.524623 -0.225661 30O 1pz 0.003208 0.028443 0.003488 -0.045292 0.014508 -0.006385 30O 1px 0.002069 -0.043991 -0.002767 -0.019465 0.039031 0.022147 30O 1py 0.014743 -0.005949 0.016272 0.037311 0.028289 0.014077 30O 2pz 0.012024 0.045239 -0.002109 -0.065108 0.057426 0.022804 30O 2px -0.005074 -0.049222 -0.010355 -0.039600 0.011228 0.001105 30O 2py 0.023037 -0.006398 -0.003553 0.037838 0.010285 0.008122 30O 3pz -0.169487 -0.098355 0.077816 0.294934 0.052647 -0.046020 30O 3px 0.279784 0.054273 -0.013209 -0.081929 -0.223675 -0.080943 30O 3py 0.074157 0.018430 0.083221 -0.141340 -0.143245 -0.110956 30O 1dz2 0.002166 0.000833 -0.000601 -0.000590 -0.002471 0.001021 30O 1dxz 0.001356 -0.000599 -0.001826 -0.002849 0.000507 -0.001581 30O 1dyz -0.002237 -0.001415 -0.000647 0.001346 -0.000128 -0.001150 30O 1dx2y2 -0.005457 -0.001876 0.001011 0.003173 0.000187 -0.001394 30O 1dxy 0.000949 0.002307 0.001533 0.001700 0.001537 -0.000428 30O 2dz2 -0.000420 -0.001276 -0.004853 0.003241 0.008555 -0.002852 30O 2dxz -0.008235 -0.010110 -0.000202 0.015002 0.022678 0.003271 30O 2dyz -0.013166 -0.011000 0.001252 0.017103 0.015856 0.014683 30O 2dx2y2 -0.002629 0.004599 -0.002631 0.009346 -0.004414 -0.016151 30O 2dxy 0.008138 0.010555 -0.000950 -0.009065 -0.018352 -0.013832 30O 1f0 0.001090 0.000884 -0.000058 -0.000728 -0.001123 -0.000251 30O 1f+1 0.000262 0.000102 -0.000274 -0.000094 0.000298 -0.000362 30O 1f-1 0.000615 0.000152 0.000199 -0.000761 0.000260 -0.000412 30O 1f+2 0.000862 0.000036 0.000125 -0.000264 0.000743 0.000641 30O 1f-2 -0.001321 -0.000613 0.000304 0.001112 0.001392 0.000653 30O 1f+3 0.000751 -0.000248 0.000347 -0.000523 -0.000417 0.000542 30O 1f-3 0.000138 -0.000240 0.000125 0.000127 0.001266 0.000849 31O 1s 0.002536 0.001745 -0.000702 -0.000704 -0.004018 -0.002486 31O 2s 0.006753 0.003587 -0.001493 -0.000930 -0.009896 -0.006145 31O 3s -0.019235 0.006561 -0.002142 -0.012057 0.020536 0.013939 31O 4s 0.058694 -0.099717 0.026805 0.048840 0.044472 0.015674 31O 5s -0.535170 0.354689 -0.110049 0.301922 -0.492475 -0.203894 31O 1pz 0.004445 -0.028152 0.001555 -0.046122 -0.020372 -0.001023 31O 1px 0.000655 0.045225 -0.000802 -0.013633 -0.039113 -0.015668 31O 1py 0.011432 0.005363 0.017763 0.041244 -0.023438 -0.009675 31O 2pz 0.013218 -0.044309 -0.004718 -0.061232 -0.066823 -0.034743 31O 2px -0.007098 0.051504 -0.008117 -0.037198 -0.011927 0.006433 31O 2py 0.018265 0.008328 -0.001389 0.040472 -0.003143 -0.001307 31O 3pz -0.160690 0.084601 0.074915 0.292097 -0.024553 0.069844 31O 3px 0.274082 -0.044361 -0.012117 -0.099584 0.226331 0.099254 31O 3py 0.067682 -0.024756 0.086450 -0.155679 0.126261 0.100973 31O 1dz2 -0.002271 0.000749 0.000631 0.000715 -0.002467 0.000830 31O 1dxz -0.001310 -0.000873 0.001777 0.002829 0.000624 -0.001664 31O 1dyz 0.002296 -0.001457 0.000546 -0.001308 -0.000382 -0.001303 31O 1dx2y2 0.005408 -0.001638 -0.001092 -0.003161 -0.000066 -0.001312 31O 1dxy -0.001015 0.002461 -0.001326 -0.001725 0.001587 -0.000151 31O 2dz2 0.000750 -0.001622 0.004907 -0.004021 0.008319 -0.002876 31O 2dxz 0.008212 -0.009836 -0.000026 -0.017162 0.021548 0.002550 31O 2dyz 0.013450 -0.010572 -0.002255 -0.019535 0.013967 0.013764 31O 2dx2y2 0.003023 0.004465 0.003020 -0.008318 -0.005141 -0.015594 31O 2dxy -0.007774 0.010274 0.001439 0.011328 -0.017681 -0.013499 31O 1f0 0.001060 -0.000848 -0.000089 -0.000840 0.001060 0.000229 31O 1f+1 0.000243 -0.000065 -0.000284 -0.000070 -0.000294 0.000362 31O 1f-1 0.000640 -0.000139 0.000177 -0.000746 -0.000347 0.000361 31O 1f+2 0.000857 -0.000042 0.000126 -0.000172 -0.000817 -0.000687 31O 1f-2 -0.001297 0.000540 0.000331 0.001249 -0.001337 -0.000711 31O 1f+3 0.000764 0.000243 0.000369 -0.000520 0.000411 -0.000400 31O 1f-3 0.000172 0.000209 0.000130 0.000267 -0.001316 -0.000914 32O 1s 0.002591 0.001686 -0.005385 0.003281 0.009298 0.002148 32O 2s 0.005988 0.003656 -0.011919 0.007728 0.020459 0.004346 32O 3s -0.003471 0.001687 -0.005730 -0.009543 0.013739 0.011430 32O 4s -0.047889 -0.049623 0.141659 -0.067021 -0.255649 -0.084907 32O 5s -0.038243 0.019705 0.121675 0.142652 -0.192472 -0.059672 32O 1pz 0.013607 -0.002950 0.014323 0.002492 -0.010588 0.039497 32O 1px 0.009416 0.002597 0.002070 0.002214 -0.010696 0.010593 32O 1py -0.011791 -0.005239 0.048950 -0.004807 -0.098168 -0.041949 32O 2pz 0.025181 -0.000352 0.032188 0.037271 -0.014438 0.098614 32O 2px 0.027097 0.008553 0.015638 0.031770 -0.029023 0.013897 32O 2py -0.015020 -0.004718 0.107805 -0.001919 -0.238920 -0.103561 32O 3pz 0.078700 0.041963 0.153959 0.236952 -0.089877 0.111225 32O 3px -0.014307 0.015524 -0.191207 -0.054299 0.476448 0.293162 32O 3py -0.054804 -0.043181 0.052089 0.045425 -0.027615 -0.007647 32O 1dz2 -0.000271 -0.000166 -0.003689 -0.003241 0.006356 0.000414 32O 1dxz 0.000980 0.000514 -0.002037 0.001184 0.004595 0.003925 32O 1dyz -0.001559 -0.000791 -0.001862 -0.004665 0.000147 -0.004466 32O 1dx2y2 0.000244 0.000008 0.000464 0.001638 -0.000365 0.000352 32O 1dxy -0.000427 -0.000052 0.001731 -0.000759 -0.005283 -0.004012 32O 2dz2 0.002878 0.002450 0.008008 0.010896 -0.000624 0.010139 32O 2dxz -0.002573 -0.002504 -0.008627 -0.010879 -0.008230 -0.013807 32O 2dyz 0.001608 0.001365 0.007412 0.013621 -0.000093 0.010802 32O 2dx2y2 -0.002759 -0.000797 -0.006426 -0.004539 0.002031 -0.005497 32O 2dxy 0.006608 0.003502 -0.005907 -0.000717 0.016392 0.011987 32O 1f0 -0.000163 -0.000182 0.001957 0.000933 -0.002944 -0.000528 32O 1f+1 0.000461 0.000289 -0.000148 0.000578 0.001623 0.001558 32O 1f-1 -0.000310 -0.000163 0.002634 0.001698 -0.003649 -0.000460 32O 1f+2 0.000185 0.000063 -0.001313 -0.000712 0.001272 0.000082 32O 1f-2 -0.000933 -0.000589 0.000394 -0.001201 -0.002978 -0.002677 32O 1f+3 0.000471 0.000290 -0.000180 0.000649 0.001070 0.000933 32O 1f-3 0.000290 0.000245 -0.000148 0.000611 0.001383 0.001310 33O 1s 0.000204 -0.000114 0.002014 -0.002565 -0.007812 0.002781 33O 2s 0.000221 0.000317 0.005023 -0.006134 -0.018652 0.006947 33O 3s 0.004351 -0.011525 -0.008658 0.008984 0.022324 -0.014091 33O 4s -0.024198 0.081423 0.030029 0.021396 0.123174 -0.008234 33O 5s 0.067790 -0.398587 -0.705641 -0.106776 -0.205327 0.008888 33O 1pz 0.009432 0.019018 0.000119 -0.031667 0.043246 0.001421 33O 1px 0.005458 -0.039641 -0.016838 -0.059879 -0.082733 0.015200 33O 1py -0.025773 0.014163 0.006890 -0.023699 -0.007907 0.039253 33O 2pz 0.001549 0.024263 -0.007069 -0.071206 0.037764 0.010211 33O 2px 0.007434 -0.049406 -0.013872 -0.058905 -0.077821 0.021518 33O 2py -0.024908 0.019760 0.019728 -0.030644 0.001338 0.039647 33O 3pz 0.022944 0.011928 -0.230440 0.086784 0.017486 0.063391 33O 3px 0.044024 0.085270 0.372699 0.127152 -0.058910 -0.098241 33O 3py -0.012521 0.010286 -0.105730 -0.022194 -0.065314 0.132074 33O 1dz2 0.001044 -0.002460 -0.003769 0.002169 0.001321 -0.002076 33O 1dxz -0.000548 0.002524 -0.000476 0.000487 0.002060 0.000731 33O 1dyz 0.000219 -0.000406 -0.002268 0.002261 0.001000 0.001714 33O 1dx2y2 0.000052 0.000989 0.004123 -0.001322 -0.002644 0.000462 33O 1dxy 0.000261 0.001681 0.002446 -0.001014 0.000485 -0.002007 33O 2dz2 0.007473 -0.006062 -0.013696 0.008522 -0.002203 0.002508 33O 2dxz 0.002834 0.013612 0.022823 0.006274 0.015585 0.001159 33O 2dyz -0.000259 -0.005725 -0.011083 0.013070 -0.010070 -0.008819 33O 2dx2y2 0.000964 -0.008321 -0.012972 -0.015104 -0.015806 0.014522 33O 2dxy -0.000894 0.001671 0.009119 0.000127 -0.002997 -0.005590 33O 1f0 0.000014 0.000213 -0.000150 0.000719 0.000335 0.000343 33O 1f+1 -0.000285 0.000541 0.002068 -0.000195 -0.000499 -0.000339 33O 1f-1 0.000015 -0.000442 -0.001065 0.000039 0.000086 0.000305 33O 1f+2 -0.000523 -0.000450 -0.000991 -0.000286 -0.000753 0.000003 33O 1f-2 -0.000093 0.000420 0.001154 -0.000411 -0.000686 0.000300 33O 1f+3 -0.000036 -0.000402 -0.000360 -0.000576 -0.000851 0.000385 33O 1f-3 0.000200 -0.000047 0.000275 0.000067 -0.000488 0.000162 34O 1s 0.001102 -0.002526 -0.001924 -0.004200 0.001383 -0.003705 34O 2s 0.002856 -0.006620 -0.004481 -0.010563 0.003169 -0.008845 34O 3s -0.007782 0.021166 0.003975 0.020576 -0.001730 0.012134 34O 4s 0.038891 -0.032156 0.029682 0.024764 -0.026760 0.051888 34O 5s -0.128345 -0.177862 -0.085277 -0.181561 0.038090 -0.161172 34O 1pz 0.009722 -0.009842 0.027451 0.018660 0.009226 0.001586 34O 1px -0.027864 -0.006178 0.025178 0.095675 0.001995 0.017088 34O 1py 0.005754 -0.009847 0.003277 -0.025120 0.020583 0.025250 34O 2pz 0.017575 -0.018387 0.018438 0.029843 0.024096 -0.017673 34O 2px -0.002627 -0.047081 0.020610 0.099694 0.012475 0.011228 34O 2py 0.000133 -0.003435 0.010606 -0.039891 0.027135 0.002966 34O 3pz 0.009151 0.021372 0.053570 -0.105034 -0.109935 0.044330 34O 3px -0.191677 -0.170528 -0.015360 -0.092602 -0.086832 -0.147305 34O 3py -0.005319 0.106533 -0.026527 0.169029 0.038305 0.262985 34O 1dz2 -0.000351 -0.000428 0.000614 0.000543 0.000014 -0.000075 34O 1dxz -0.003328 -0.000523 0.000756 0.001987 0.001402 0.003743 34O 1dyz 0.000053 0.001148 -0.000255 0.000097 -0.000714 -0.000517 34O 1dx2y2 0.001874 0.002201 -0.000184 -0.000314 -0.000209 0.001083 34O 1dxy 0.004000 -0.000830 0.000861 0.000309 -0.001932 0.000832 34O 2dz2 0.001617 0.003211 0.005806 0.005733 0.003263 -0.003651 34O 2dxz -0.003295 -0.003599 0.001631 -0.000565 0.001557 0.002199 34O 2dyz 0.008281 -0.002208 -0.002359 0.007121 -0.001730 -0.000796 34O 2dx2y2 0.002091 -0.008313 -0.002178 -0.021540 0.000086 -0.014200 34O 2dxy 0.004656 0.008540 0.001217 0.006972 -0.002730 0.004683 34O 1f0 0.000583 -0.000168 0.000103 0.000493 -0.000302 0.000459 34O 1f+1 0.000830 0.000204 0.000026 0.000352 0.000130 0.000156 34O 1f-1 -0.000413 -0.000372 0.000170 -0.000430 0.000068 0.000141 34O 1f+2 -0.000090 -0.000421 -0.000005 0.000379 0.000346 0.000203 34O 1f-2 0.000785 -0.000303 0.000509 0.000859 -0.000268 0.000316 34O 1f+3 -0.000447 0.000296 -0.000240 0.000321 0.000460 0.000985 34O 1f-3 -0.001276 -0.000525 -0.000220 0.000121 0.000279 0.000134 35O 1s -0.001001 0.002650 0.002059 -0.005805 -0.001954 0.000158 35O 2s -0.002280 0.006681 0.005735 -0.013693 -0.004669 0.000283 35O 3s 0.001261 -0.017357 -0.023255 0.009629 0.006766 0.002749 35O 4s 0.020846 0.015241 0.057527 0.092758 0.028256 -0.020670 35O 5s -0.049634 0.170364 0.256834 0.196584 -0.070337 0.104700 35O 1pz 0.005740 0.005504 0.006030 0.006404 -0.068126 0.004840 35O 1px 0.022631 -0.006263 -0.050811 0.084171 0.005981 -0.027718 35O 1py -0.011464 0.010496 -0.018858 0.026662 -0.030546 -0.017501 35O 2pz 0.000786 0.009464 0.009449 0.025941 -0.085865 0.023978 35O 2px 0.016618 0.027532 -0.005374 0.128119 -0.000456 -0.021847 35O 2py -0.003005 0.041723 0.006755 0.052481 -0.017919 -0.037311 35O 3pz 0.005938 0.082441 0.086081 -0.164267 -0.059707 -0.157722 35O 3px 0.055838 0.130271 0.074063 0.241431 -0.122491 -0.168204 35O 3py -0.066594 0.024912 0.057210 0.006121 -0.235568 -0.010423 35O 1dz2 0.000148 0.001620 0.000908 0.003361 0.000613 -0.000832 35O 1dxz 0.000615 -0.001235 -0.003233 0.001960 0.003078 -0.001701 35O 1dyz -0.000081 0.000229 -0.001032 0.000862 0.001466 -0.001235 35O 1dx2y2 0.000067 -0.000667 0.001746 -0.004044 -0.000564 0.000187 35O 1dxy 0.000050 -0.001229 -0.002690 -0.003238 0.001206 0.002113 35O 2dz2 0.006842 -0.005363 -0.018328 -0.005868 0.006262 0.010384 35O 2dxz 0.001804 0.004879 0.003830 0.008521 0.009355 -0.001663 35O 2dyz -0.002034 -0.003169 -0.001107 0.001766 0.018137 0.000309 35O 2dx2y2 0.003894 0.005777 0.013573 -0.002739 -0.016895 0.005817 35O 2dxy -0.001051 0.006051 0.014444 0.006343 -0.001625 0.002923 35O 1f0 -0.000604 -0.000120 0.000716 -0.000486 -0.000480 -0.000078 35O 1f+1 0.000045 -0.000183 -0.001135 -0.001017 0.000843 0.000620 35O 1f-1 -0.000102 -0.000378 -0.000824 -0.001155 -0.000462 0.000263 35O 1f+2 -0.000004 0.000216 0.000007 0.001163 0.000727 0.000273 35O 1f-2 0.000016 -0.000150 -0.000846 0.000382 0.000471 -0.000115 35O 1f+3 -0.000139 -0.000182 -0.000314 0.000244 0.000810 -0.000671 35O 1f-3 0.000044 -0.000068 -0.000578 -0.001205 0.000720 0.000477 186 187 188 189 190 191 0.40488 0.40659 0.41097 0.41291 0.41363 0.42049 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s 0.001513 0.000361 -0.001824 -0.001770 -0.000027 -0.000475 0Rh 2s -0.006614 -0.001273 0.006932 0.005902 0.000112 0.002041 0Rh 3s 0.004716 0.001315 -0.006332 -0.006656 -0.000086 -0.001501 0Rh 4s 0.029828 0.005629 -0.030846 -0.025888 -0.000368 -0.009201 0Rh 5s -0.032588 -0.004081 0.025868 0.014679 -0.001693 0.009856 0Rh 6s -0.019634 -0.011820 0.051972 0.072024 0.013515 0.006691 0Rh 7s -0.091551 0.227839 -0.030752 -0.193800 0.248399 -0.001755 0Rh 8s -0.636320 -0.373491 0.635679 -0.198121 -0.678379 0.422462 0Rh 1pz -0.001799 -0.005370 0.001892 0.003242 0.004178 0.004829 0Rh 1px -0.002411 -0.005978 0.000333 0.002909 -0.004759 0.002092 0Rh 1py 0.001458 -0.003419 0.006190 -0.003034 -0.002729 -0.000868 0Rh 2pz 0.005901 0.019011 -0.006429 -0.011243 -0.014347 -0.016827 0Rh 2px 0.008192 0.020672 -0.001110 -0.009803 0.016427 -0.007325 0Rh 2py -0.004912 0.011685 -0.021351 0.010406 0.009478 0.003004 0Rh 3pz 0.000532 -0.026964 0.003999 0.011575 0.011998 0.018686 0Rh 3px -0.004991 -0.020229 0.000273 0.004582 -0.015380 0.008738 0Rh 3py 0.002223 -0.008654 0.019403 -0.008284 -0.010013 -0.002970 0Rh 4pz -0.031220 0.013367 0.015907 0.008906 0.022344 0.008754 0Rh 4px -0.021527 -0.020197 0.004305 0.030006 -0.019395 0.001955 0Rh 4py 0.015369 -0.023087 0.029258 -0.018896 -0.006606 -0.002957 0Rh 5pz 0.049297 -0.089763 -0.015716 0.018702 0.002761 0.036450 0Rh 5px 0.029186 -0.028185 -0.006146 -0.036818 -0.010897 0.015629 0Rh 5py -0.018740 0.014327 0.000379 0.006152 -0.017483 -0.001831 0Rh 6pz -0.399039 1.091481 0.171808 -0.270381 -0.265800 -0.669618 0Rh 6px -0.086484 0.485689 -0.155984 0.264125 0.070807 -0.250220 0Rh 6py 0.195931 0.049247 -0.362696 0.350916 0.246684 -0.069809 0Rh 1dz2 -0.007492 -0.003999 -0.004234 -0.007170 0.001838 -0.007074 0Rh 1dxz -0.009232 0.004874 0.003452 0.000148 -0.002792 -0.014756 0Rh 1dyz 0.006107 -0.008186 0.013679 0.007737 0.000744 -0.003451 0Rh 1dx2y2 -0.001514 -0.001579 0.000848 -0.012261 0.001042 -0.010624 0Rh 1dxy 0.001784 0.001067 -0.011688 0.012678 0.001912 -0.012310 0Rh 2dz2 0.000100 -0.000153 -0.000656 -0.000876 0.000162 -0.000250 0Rh 2dxz 0.000567 -0.000195 -0.001108 -0.000678 0.000468 0.000671 0Rh 2dyz -0.000185 0.000116 -0.001179 -0.000355 0.000135 0.001117 0Rh 2dx2y2 -0.000886 0.000126 0.000606 0.000869 0.000022 0.000431 0Rh 2dxy -0.000400 -0.000904 0.000987 -0.000874 -0.000090 0.001120 0Rh 3dz2 0.013307 0.007974 0.010620 0.016929 -0.004088 0.014107 0Rh 3dxz 0.014672 -0.008229 -0.001727 0.002603 0.003224 0.024688 0Rh 3dyz -0.010544 0.014576 -0.020414 -0.012799 -0.001917 0.001735 0Rh 3dx2y2 0.006612 0.002398 -0.004240 0.018950 -0.001932 0.017856 0Rh 3dxy -0.001611 0.001722 0.017520 -0.019946 -0.003138 0.018203 0Rh 4dz2 0.012373 0.003235 -0.004016 -0.002526 0.000612 0.005630 0Rh 4dxz 0.019517 -0.007744 -0.019961 -0.010001 0.010118 0.025576 0Rh 4dyz -0.009015 0.011986 -0.031464 -0.013808 0.000774 0.017856 0Rh 4dx2y2 -0.011577 0.003171 0.009456 0.028153 -0.002906 0.019048 0Rh 4dxy -0.007627 -0.013225 0.027964 -0.025391 -0.004108 0.029291 0Rh 5dz2 -0.006771 0.021640 0.072511 0.087991 -0.040355 0.039539 0Rh 5dxz -0.013054 -0.030473 0.070681 0.055187 -0.035521 0.048344 0Rh 5dyz -0.031929 0.019219 0.005776 -0.012895 -0.012427 -0.046861 0Rh 5dx2y2 0.102193 0.009843 -0.079416 -0.024277 0.042614 0.012465 0Rh 5dxy 0.023209 0.049840 -0.014580 -0.028098 0.011776 -0.013608 0Rh 1f0 0.000550 0.005522 -0.003320 0.000593 -0.000671 0.000264 0Rh 1f+1 0.000823 0.002730 0.000237 0.001186 -0.001491 -0.001686 0Rh 1f-1 -0.000135 -0.004775 -0.002990 0.001974 -0.001870 0.000068 0Rh 1f+2 -0.004822 0.003613 0.000969 -0.000627 -0.000023 -0.000064 0Rh 1f-2 0.000958 -0.000056 0.000447 0.005081 -0.000396 -0.001430 0Rh 1f+3 0.000497 -0.003291 0.003331 0.000889 -0.001817 0.001194 0Rh 1f-3 -0.001642 0.001330 -0.001148 -0.000173 -0.000092 0.003179 1Rh 1s -0.001514 0.000309 0.001824 0.001742 -0.000251 0.000491 1Rh 2s 0.006496 -0.000999 -0.006896 -0.005762 0.000925 -0.002119 1Rh 3s -0.004794 0.001179 0.006354 0.006580 -0.000889 0.001550 1Rh 4s -0.029246 0.004377 0.030676 0.025264 -0.003971 0.009556 1Rh 5s 0.031070 -0.002386 -0.025543 -0.014086 0.001013 -0.010259 1Rh 6s 0.022696 -0.012307 -0.052118 -0.070704 0.020835 -0.006932 1Rh 7s 0.055435 0.238903 0.055373 0.220871 0.237234 -0.005219 1Rh 8s 0.661847 -0.340845 -0.681124 0.133130 -0.670151 -0.412180 1Rh 1pz -0.001278 0.005255 0.001954 0.002741 -0.004466 0.005065 1Rh 1px -0.002715 0.005872 0.000823 0.003313 0.004445 0.002021 1Rh 1py 0.001840 0.003250 0.006341 -0.002710 0.002724 -0.000520 1Rh 2pz 0.004079 -0.018621 -0.006661 -0.009506 0.015339 -0.017646 1Rh 2px 0.009220 -0.020303 -0.002799 -0.011194 -0.015364 -0.007069 1Rh 2py -0.006236 -0.011113 -0.021868 0.009287 -0.009452 0.001795 1Rh 3pz 0.002698 0.026725 0.004523 0.009816 -0.012910 0.019592 1Rh 3px -0.005586 0.019835 0.001848 0.005807 0.014803 0.008302 1Rh 3py 0.003580 0.008328 0.019807 -0.007211 0.009841 -0.001707 1Rh 4pz -0.030957 -0.014332 0.015022 0.007402 -0.023573 0.009174 1Rh 4px -0.023976 0.019899 0.006257 0.031908 0.016479 0.002422 1Rh 4py 0.016504 0.021564 0.030178 -0.017675 0.007179 -0.002011 1Rh 5pz 0.055122 0.090729 -0.013569 0.015815 -0.003289 0.038244 1Rh 5px 0.029727 0.027973 -0.004499 -0.036194 0.013991 0.013812 1Rh 5py -0.017419 -0.012740 0.000197 0.007291 0.016369 -0.000218 1Rh 6pz -0.479051 -1.105401 0.152698 -0.215161 0.271713 -0.693555 1Rh 6px -0.069690 -0.474477 -0.181823 0.261180 -0.078528 -0.238629 1Rh 6py 0.173108 -0.055630 -0.369356 0.323790 -0.254972 -0.100050 1Rh 1dz2 0.007790 -0.003958 0.004005 0.007132 0.000778 0.006965 1Rh 1dxz 0.009681 0.005295 -0.003338 -0.000412 -0.002407 0.014904 1Rh 1dyz -0.006343 -0.008020 -0.013791 -0.007624 0.002386 0.003346 1Rh 1dx2y2 0.001481 -0.001669 -0.000715 0.012402 -0.000128 0.010598 1Rh 1dxy -0.001338 0.000863 0.011788 -0.012387 0.002619 0.012629 1Rh 2dz2 -0.000149 -0.000190 0.000691 0.000896 0.000062 0.000255 1Rh 2dxz -0.000647 -0.000233 0.001094 0.000701 0.000339 -0.000716 1Rh 2dyz 0.000224 0.000106 0.001168 0.000360 0.000022 -0.001091 1Rh 2dx2y2 0.000930 0.000137 -0.000633 -0.000883 0.000132 -0.000422 1Rh 2dxy 0.000334 -0.000875 -0.001015 0.000836 -0.000143 -0.001182 1Rh 3dz2 -0.013656 0.008052 -0.010344 -0.016945 -0.001708 -0.013928 1Rh 3dxz -0.015173 -0.008850 0.001572 -0.002212 0.003052 -0.024776 1Rh 3dyz 0.010822 0.014312 0.020666 0.012573 -0.004486 -0.001648 1Rh 3dx2y2 -0.006741 0.002512 0.004111 -0.019146 -0.000242 -0.017848 1Rh 3dxy 0.001059 0.001975 -0.017594 0.019565 -0.004241 -0.018541 1Rh 4dz2 -0.013389 0.002684 0.004814 0.002927 0.000584 -0.005422 1Rh 4dxz -0.021098 -0.008782 0.019693 0.010679 0.007826 -0.026341 1Rh 4dyz 0.009745 0.011636 0.031483 0.013736 -0.002621 -0.017387 1Rh 4dx2y2 0.012281 0.003527 -0.010080 -0.028662 0.000250 -0.018850 1Rh 4dxy 0.006193 -0.012549 -0.028462 0.024502 -0.005477 -0.030474 1Rh 5dz2 0.008840 0.024385 -0.074864 -0.091422 -0.028359 -0.039215 1Rh 5dxz 0.015207 -0.029246 -0.071969 -0.057055 -0.027182 -0.046477 1Rh 5dyz 0.032131 0.019516 -0.005297 0.011676 -0.013328 0.045810 1Rh 5dx2y2 -0.105657 0.007374 0.082938 0.028692 0.036732 -0.013696 1Rh 5dxy -0.020815 0.048074 0.016389 0.030007 0.009288 0.015351 1Rh 1f0 0.000510 -0.005422 -0.003526 0.000700 0.000758 0.000310 1Rh 1f+1 0.000657 -0.002694 0.000171 0.001400 0.001385 -0.001748 1Rh 1f-1 0.000423 0.004779 -0.002835 0.001946 0.001810 0.000319 1Rh 1f+2 -0.005101 -0.003651 0.000853 -0.000528 0.000051 -0.000035 1Rh 1f-2 0.001291 0.000054 0.000372 0.004952 -0.000156 -0.001372 1Rh 1f+3 0.000498 0.003213 0.003530 0.001051 0.001591 0.001189 1Rh 1f-3 -0.001912 -0.001337 -0.001155 -0.000164 0.000200 0.003013 2C 1s -0.005568 -0.022632 0.018076 -0.010472 -0.026697 0.015607 2C 2s -0.012543 -0.048138 0.038636 -0.021050 -0.053736 0.031387 2C 3s 0.030814 0.001367 0.013013 -0.063075 -0.141991 0.097093 2C 4s 0.075295 0.926435 -0.853345 0.843773 2.032584 -1.249095 2C 5s -0.604754 -4.526659 1.775190 -1.657197 -6.595518 2.670668 2C 1pz 0.042882 0.062231 -0.081801 -0.041233 -0.016278 0.002270 2C 1px -0.024455 0.037229 0.047619 0.028743 -0.008491 -0.038933 2C 1py 0.054194 0.049008 -0.023389 0.057472 0.011484 0.049106 2C 2pz 0.032169 -0.059188 -0.195300 -0.177124 -0.033567 -0.055543 2C 2px -0.154476 0.072543 0.319631 0.192152 -0.012957 -0.202941 2C 2py 0.104697 0.008579 0.041483 0.266833 0.074230 0.148414 2C 3pz -0.228950 -0.848603 0.040531 0.577712 0.004603 -0.270554 2C 3px 0.522969 -0.474796 -0.490212 -0.028005 -0.128624 0.348913 2C 3py -0.258020 -0.244083 0.000348 -0.017926 -0.146944 -0.410462 2C 1dz2 -0.000373 -0.000131 -0.000714 -0.003336 -0.000200 -0.001327 2C 1dxz -0.004945 0.000812 0.005055 0.001683 0.000064 -0.006692 2C 1dyz -0.000995 -0.002875 -0.001734 -0.000518 0.001933 -0.001105 2C 1dx2y2 -0.001036 0.000789 -0.002307 -0.005176 -0.000447 -0.000735 2C 1dxy -0.001111 0.000606 0.003995 0.006451 0.002515 -0.000502 2C 2dz2 -0.011789 -0.036470 0.024872 0.003823 -0.006491 -0.008699 2C 2dxz -0.046806 -0.018529 0.033139 0.023608 0.026520 -0.000610 2C 2dyz -0.042067 -0.116252 0.072127 0.013378 0.005428 -0.011155 2C 2dx2y2 0.005366 0.058941 0.018235 0.029733 0.003793 0.014052 2C 2dxy -0.048854 -0.026320 0.025760 -0.012748 0.010921 -0.017647 2C 1f0 0.001761 0.004077 0.001435 0.010729 0.006715 -0.003399 2C 1f+1 -0.003726 -0.003249 0.002943 0.000607 0.001865 -0.004197 2C 1f-1 -0.002100 -0.003935 -0.003132 0.000800 0.009380 -0.005303 2C 1f+2 0.002317 -0.004134 0.000796 -0.008187 -0.014457 0.013796 2C 1f-2 -0.002185 0.005500 -0.005948 0.009533 0.017562 -0.008585 2C 1f+3 -0.001385 -0.007234 0.009522 -0.002128 -0.012042 0.010874 2C 1f-3 -0.002175 -0.002139 0.006769 0.000603 -0.003048 -0.002933 3C 1s -0.017866 0.008423 -0.017351 0.018070 -0.036638 0.004017 3C 2s -0.037653 0.018884 -0.036348 0.036856 -0.074948 0.009092 3C 3s -0.018456 -0.046318 -0.039116 0.074440 -0.134792 -0.009681 3C 4s 0.869158 -0.061081 0.968497 -1.250352 2.399949 -0.116282 3C 5s -3.003045 0.956310 -1.946760 3.237700 -9.034579 -0.637760 3C 1pz 0.023094 -0.036303 0.008211 -0.021830 0.020681 -0.086259 3C 1px -0.043889 0.002299 0.022076 -0.036573 0.004829 0.031292 3C 1py -0.074196 0.062907 -0.055298 0.010984 -0.025128 0.009468 3C 2pz 0.021629 0.003552 -0.031729 -0.068432 0.008865 -0.346288 3C 2px -0.342209 0.150185 0.033668 -0.149343 -0.018446 0.211731 3C 2py -0.130588 0.025482 -0.112156 0.000363 0.028894 -0.000156 3C 3pz -0.140022 0.639638 0.124014 0.063231 -0.301996 0.503229 3C 3px 0.260796 -0.181906 -0.139674 -0.234604 -0.282781 -0.462869 3C 3py 0.268442 -0.195950 -0.060216 0.094673 0.540584 0.202555 3C 1dz2 0.001678 -0.003191 -0.000164 0.000974 -0.000766 -0.002210 3C 1dxz -0.006040 0.002961 -0.001537 -0.002221 0.000297 0.002038 3C 1dyz -0.000200 -0.000051 0.000115 0.001178 -0.000659 0.006457 3C 1dx2y2 -0.002013 0.000227 -0.001199 0.000102 0.001098 -0.001529 3C 1dxy 0.001911 -0.003392 -0.000995 -0.001351 -0.000684 -0.005816 3C 2dz2 0.013205 -0.044935 0.008040 -0.025485 0.001722 -0.025239 3C 2dxz 0.003126 0.007112 0.006503 0.032948 -0.010534 0.012746 3C 2dyz 0.049898 -0.038082 0.046341 -0.000685 0.049346 -0.023702 3C 2dx2y2 0.026696 -0.064743 0.044825 0.013440 0.042986 0.018991 3C 2dxy 0.066927 -0.083140 0.004248 -0.028571 0.011947 -0.024833 3C 1f0 0.006309 -0.006336 0.005879 -0.002830 0.006252 0.002698 3C 1f+1 -0.002747 0.001345 0.001641 -0.004385 0.003197 0.006319 3C 1f-1 0.001037 0.000927 0.003754 -0.005334 0.010121 -0.003592 3C 1f+2 -0.010169 -0.000641 -0.007791 0.012303 -0.023072 0.002784 3C 1f-2 -0.001248 -0.003812 -0.006884 0.008901 -0.016253 -0.003737 3C 1f+3 0.001251 0.001943 0.001919 0.001860 0.002414 0.001710 3C 1f-3 0.006106 -0.004001 0.003885 0.002855 0.003769 -0.004218 4C 1s -0.006176 0.002118 0.010319 -0.007301 0.005504 -0.001862 4C 2s -0.012433 0.004992 0.021825 -0.015349 0.011852 -0.003723 4C 3s -0.036914 0.010256 0.002759 0.011130 -0.007322 -0.033964 4C 4s 0.444695 -0.228643 -0.431648 0.277715 -0.133170 0.205513 4C 5s -0.098889 2.044839 0.230148 -0.530886 2.331789 -0.761473 4C 1pz 0.110163 0.101212 -0.149158 -0.005202 -0.003511 0.040468 4C 1px -0.019488 0.003179 0.088583 0.090711 0.034247 -0.061380 4C 1py 0.024670 0.119802 -0.075675 0.034108 -0.002187 -0.017039 4C 2pz 0.105355 -0.090508 -0.148098 0.002616 0.058886 0.038220 4C 2px 0.109271 -0.057775 0.099141 0.130990 0.092961 0.060222 4C 2py 0.026670 0.152693 -0.043109 0.042678 0.054393 0.000256 4C 3pz -0.401454 -0.910124 -0.031969 0.666139 -0.269753 -0.837786 4C 3px -0.087743 0.399336 -0.803310 -0.437305 0.038432 0.110290 4C 3py 0.044985 -1.159631 -0.415644 0.166428 -0.150868 -0.366522 4C 1dz2 -0.000353 0.005425 -0.001784 0.009772 0.004331 -0.006115 4C 1dxz 0.012713 0.003969 -0.017202 -0.003446 -0.000626 0.005172 4C 1dyz 0.004385 0.004501 -0.008090 0.005279 0.004851 -0.003074 4C 1dx2y2 -0.000572 -0.007725 0.011293 -0.000926 0.000934 0.008544 4C 1dxy 0.006074 -0.000903 -0.007753 -0.008608 -0.001226 0.005205 4C 2dz2 0.042210 0.049813 -0.002114 0.044523 -0.062692 0.041719 4C 2dxz 0.020105 0.031511 -0.077982 -0.060526 -0.062012 0.089385 4C 2dyz 0.004281 0.081488 -0.009162 -0.092792 -0.061946 0.020549 4C 2dx2y2 -0.028051 -0.114315 -0.028640 -0.000451 0.090531 -0.039464 4C 2dxy 0.055529 0.000187 0.004264 0.037079 0.024268 0.115552 4C 1f0 0.000355 -0.000999 0.001066 0.001492 -0.001087 0.001451 4C 1f+1 -0.003673 0.005348 -0.000019 -0.002115 -0.004434 -0.004775 4C 1f-1 -0.005426 -0.004443 0.001612 0.001559 0.003642 -0.008451 4C 1f+2 0.001086 -0.003205 -0.001191 -0.002260 0.001600 -0.000697 4C 1f-2 0.002207 -0.002921 0.000463 0.002555 0.001237 0.002073 4C 1f+3 -0.000396 0.001611 0.002339 0.002579 0.000924 -0.002291 4C 1f-3 -0.003414 0.004613 0.000713 0.000344 -0.004442 -0.003785 5C 1s -0.012929 0.008816 -0.004039 0.005838 0.004451 -0.000596 5C 2s -0.027147 0.018172 -0.008496 0.012258 0.009794 -0.001307 5C 3s -0.020722 0.004536 0.024503 -0.011086 0.012976 0.010544 5C 4s 0.646566 -0.315963 0.002115 -0.198674 -0.298960 -0.025390 5C 5s 0.112879 0.115472 0.307401 -0.559690 3.292097 0.150948 5C 1pz 0.108302 -0.051533 0.044355 -0.003793 0.027562 -0.060513 5C 1px -0.049824 0.040023 0.029977 -0.042731 0.051999 0.105077 5C 1py -0.130719 0.149880 -0.095798 0.074099 -0.069128 0.063035 5C 2pz 0.174589 0.125671 -0.043084 0.011959 0.019782 0.021221 5C 2px -0.139079 0.044093 0.129248 -0.098749 0.080598 -0.024147 5C 2py -0.184756 0.121217 -0.004668 0.081146 -0.051284 0.045868 5C 3pz -0.526496 -0.219741 0.360648 -0.473302 -0.658115 -0.202447 5C 3px 0.607197 0.120312 0.359976 0.456883 -0.421956 -0.945751 5C 3py 0.538569 -0.879177 -0.431950 0.363584 1.095233 0.357859 5C 1dz2 -0.002465 0.001957 0.003432 -0.000767 0.000505 0.003990 5C 1dxz 0.011578 -0.010719 0.009595 -0.004280 0.003207 -0.008412 5C 1dyz -0.002756 -0.001632 -0.003758 0.002502 -0.004854 -0.005617 5C 1dx2y2 -0.001742 0.003012 -0.012807 0.010108 -0.008171 0.000485 5C 1dxy -0.011466 0.008816 -0.006525 0.008474 -0.002509 0.016731 5C 2dz2 0.047656 0.022802 0.025572 0.005042 0.004480 0.121165 5C 2dxz -0.021555 -0.086111 0.020806 -0.028000 -0.014115 -0.050566 5C 2dyz -0.027421 0.005647 0.040221 -0.011618 0.008016 -0.062596 5C 2dx2y2 -0.036424 0.095368 0.029851 -0.027828 0.025766 -0.056804 5C 2dxy -0.071325 0.123777 -0.078680 -0.091592 0.009005 0.055357 5C 1f0 0.000625 -0.007090 0.004238 0.003524 -0.000411 -0.001936 5C 1f+1 -0.001276 -0.000988 -0.001884 -0.000488 -0.000923 0.002129 5C 1f-1 -0.001178 -0.004691 0.000432 -0.001439 -0.000580 -0.003124 5C 1f+2 0.002057 -0.000952 -0.002731 0.000529 -0.001080 0.000411 5C 1f-2 0.005686 0.002428 -0.005359 0.002961 -0.000643 0.004969 5C 1f+3 0.000712 0.001551 0.001385 0.000680 0.000261 0.006553 5C 1f-3 0.002862 0.001424 -0.003942 -0.000022 -0.001139 -0.001256 6C 1s 0.012433 0.008641 0.004640 -0.005498 0.004727 0.000563 6C 2s 0.026101 0.017793 0.009779 -0.011520 0.010352 0.001242 6C 3s 0.018647 0.005483 -0.024082 0.013606 0.013999 -0.011688 6C 4s -0.605365 -0.314432 -0.029481 0.166221 -0.319229 0.035488 6C 5s -0.103066 0.140956 -0.141590 0.857037 3.227394 -0.165397 6C 1pz 0.118797 0.051639 0.043817 -0.007257 -0.029603 -0.059217 6C 1px -0.049436 -0.043700 0.026588 -0.048776 -0.047366 0.103757 6C 1py -0.130801 -0.149101 -0.095099 0.080605 0.065723 0.062844 6C 2pz 0.192004 -0.124223 -0.044577 0.008886 -0.017414 0.021289 6C 2px -0.130787 -0.050775 0.121211 -0.107010 -0.079261 -0.020423 6C 2py -0.159100 -0.121420 -0.007184 0.082266 0.042782 0.049653 6C 3pz -0.600924 0.215983 0.394636 -0.405042 0.675756 -0.214266 6C 3px 0.596273 -0.105688 0.362640 0.499149 0.338116 -0.929346 6C 3py 0.462687 0.873646 -0.457171 0.274436 -1.093701 0.356972 6C 1dz2 0.002297 0.002171 -0.003356 0.000875 0.000597 -0.003923 6C 1dxz -0.012128 -0.010783 -0.009682 0.004594 0.003433 0.008142 6C 1dyz 0.002596 -0.001837 0.003496 -0.002989 -0.004691 0.005566 6C 1dx2y2 0.001903 0.002630 0.012443 -0.011036 -0.007695 -0.000512 6C 1dxy 0.011821 0.009052 0.006535 -0.008616 -0.002151 -0.016629 6C 2dz2 -0.050745 0.023148 -0.025714 -0.004379 0.005913 -0.121969 6C 2dxz 0.010312 -0.085203 -0.022210 0.028220 -0.016115 0.048668 6C 2dyz 0.030936 0.006676 -0.039958 0.012130 0.011068 0.061057 6C 2dx2y2 0.037152 0.094910 -0.026436 0.028837 0.026636 0.054850 6C 2dxy 0.077235 0.123104 0.079839 0.091905 -0.005347 -0.052966 6C 1f0 0.001208 0.007052 0.004314 0.003499 -0.000185 -0.001838 6C 1f+1 -0.001142 0.001021 -0.001788 -0.000497 0.001129 0.002077 6C 1f-1 -0.001510 0.004695 0.000533 -0.001321 0.000662 -0.003112 6C 1f+2 0.002432 0.001043 -0.002702 0.000629 0.001293 0.000404 6C 1f-2 0.004970 -0.002287 -0.005297 0.003132 0.000766 0.004711 6C 1f+3 0.000727 -0.001583 0.001375 0.000609 -0.000402 0.006576 6C 1f-3 0.002422 -0.001302 -0.003927 0.000219 0.001361 -0.001344 7C 1s 0.006321 0.002342 -0.010186 0.007649 0.005270 0.001737 7C 2s 0.012762 0.005435 -0.021529 0.016116 0.011359 0.003447 7C 3s 0.035334 0.012541 -0.001801 -0.012740 -0.005579 0.034198 7C 4s -0.439038 -0.249979 0.418707 -0.279145 -0.129552 -0.199850 7C 5s 0.143762 2.015970 -0.077721 0.731564 2.310544 0.758046 7C 1pz 0.110856 -0.094646 -0.153835 -0.008014 0.010647 0.039987 7C 1px -0.023352 -0.006470 0.088730 0.089990 -0.048842 -0.059636 7C 1py 0.033370 -0.117142 -0.079906 0.032166 0.001255 -0.016357 7C 2pz 0.094286 0.097932 -0.149451 -0.004440 -0.051440 0.037644 7C 2px 0.085211 0.056642 0.096211 0.125103 -0.110551 0.055488 7C 2py 0.047265 -0.148100 -0.050228 0.033065 -0.056687 0.000115 7C 3pz -0.311675 0.876847 0.005043 0.665468 0.211049 -0.817083 7C 3px -0.072702 -0.383636 -0.817157 -0.437133 0.043019 0.104078 7C 3py -0.014260 1.151586 -0.380947 0.181952 0.160165 -0.368760 7C 1dz2 0.000322 0.005541 0.002116 -0.009333 0.005282 0.005921 7C 1dxz -0.013010 0.003249 0.017540 0.003783 -0.001885 -0.005069 7C 1dyz -0.004697 0.004234 0.008554 -0.004613 0.005031 0.003048 7C 1dx2y2 0.000912 -0.007502 -0.011620 0.000834 0.001212 -0.008531 7C 1dxy -0.006056 -0.001334 0.007775 0.008599 -0.002607 -0.005074 7C 2dz2 -0.040183 0.048470 -0.000006 -0.052315 -0.056952 -0.043250 7C 2dxz -0.016508 0.028733 0.077367 0.055150 -0.071725 -0.086250 7C 2dyz -0.007447 0.078645 0.007414 0.087446 -0.070560 -0.020151 7C 2dx2y2 0.033915 -0.114213 0.028633 0.008507 0.087369 0.040172 7C 2dxy -0.054455 -0.001247 -0.000923 -0.032495 0.027127 -0.114951 7C 1f0 0.000201 0.000878 0.001080 0.001660 0.000890 0.001526 7C 1f+1 -0.003538 -0.005522 -0.000030 -0.001646 0.004574 -0.004834 7C 1f-1 -0.005499 0.004202 0.001615 0.001374 -0.003900 -0.008389 7C 1f+2 0.000800 0.003309 -0.001062 -0.002403 -0.001270 -0.000616 7C 1f-2 0.001694 0.002891 0.000350 0.002395 -0.001462 0.001877 7C 1f+3 -0.000084 -0.001656 0.002288 0.002505 -0.001335 -0.002196 7C 1f-3 -0.003245 -0.004804 0.000816 0.000966 0.004205 -0.003665 8C 1s 0.017812 0.008051 0.015785 -0.021690 -0.035525 -0.003769 8C 2s 0.037684 0.018137 0.033149 -0.044279 -0.072681 -0.008602 8C 3s 0.012768 -0.048094 0.032932 -0.087277 -0.130294 0.011247 8C 4s -0.829666 -0.034589 -0.863752 1.483237 2.322394 0.095832 8C 5s 2.851745 0.865727 1.574793 -4.094043 -8.773367 0.701313 8C 1pz 0.024522 0.037160 0.007136 -0.024684 -0.017999 -0.086963 8C 1px -0.042733 -0.003969 0.021383 -0.037174 -0.001159 0.030960 8C 1py -0.078645 -0.062698 -0.054763 0.012934 0.026674 0.008894 8C 2pz 0.023868 0.001682 -0.034014 -0.072305 0.000590 -0.348503 8C 2px -0.342715 -0.158864 0.030553 -0.148175 0.035586 0.209917 8C 2py -0.133872 -0.026246 -0.114383 -0.006012 -0.019423 -0.002211 8C 3pz -0.104371 -0.645151 0.126234 0.087908 0.282639 0.511167 8C 3px 0.276313 0.202376 -0.116037 -0.205271 0.304926 -0.462170 8C 3py 0.320032 0.196750 -0.083490 0.047515 -0.536864 0.205668 8C 1dz2 -0.001452 -0.003197 0.000068 -0.001058 -0.000651 0.002180 8C 1dxz 0.006267 0.003079 0.001643 0.002298 -0.000096 -0.001887 8C 1dyz 0.000112 0.000057 -0.000131 -0.001222 -0.000599 -0.006452 8C 1dx2y2 0.002115 0.000250 0.001269 0.000025 0.000962 0.001604 8C 1dxy -0.002054 -0.003524 0.000901 0.001261 -0.000846 0.005847 8C 2dz2 -0.010822 -0.045438 -0.008934 0.024786 -0.000282 0.026118 8C 2dxz 0.000535 0.007122 -0.007266 -0.034149 -0.005930 -0.013193 8C 2dyz -0.057591 -0.037342 -0.043612 0.006852 0.050625 0.023348 8C 2dx2y2 -0.024764 -0.062731 -0.043332 -0.009199 0.045900 -0.019227 8C 2dxy -0.069400 -0.084737 -0.005740 0.029167 0.008843 0.024363 8C 1f0 0.006142 0.006174 0.005740 -0.003485 -0.006350 0.002887 8C 1f+1 -0.003144 -0.001579 0.001300 -0.004418 -0.002387 0.006283 8C 1f-1 0.001075 -0.001089 0.003185 -0.006390 -0.009614 -0.003627 8C 1f+2 -0.009599 0.000768 -0.006788 0.014477 0.022177 0.002510 8C 1f-2 -0.000836 0.004114 -0.006225 0.010678 0.016003 -0.003800 8C 1f+3 0.000621 -0.002076 0.001755 0.001734 -0.002662 0.001913 8C 1f-3 0.006351 0.004032 0.003704 0.002541 -0.004124 -0.004117 9C 1s 0.005666 -0.021938 -0.020181 0.007640 -0.027027 -0.015514 9C 2s 0.012785 -0.046621 -0.042939 0.015306 -0.054320 -0.031196 9C 3s -0.032210 0.000142 -0.020737 0.049793 -0.147330 -0.096796 9C 4s -0.071025 0.904533 0.990911 -0.638886 2.078955 1.243074 9C 5s 0.533404 -4.434831 -2.249070 1.027425 -6.694315 -2.668813 9C 1pz 0.046482 -0.058291 -0.083435 -0.042018 0.023491 0.002271 9C 1px -0.025907 -0.038813 0.047078 0.029446 0.002705 -0.040249 9C 1py 0.055385 -0.048402 -0.025829 0.055643 -0.015203 0.050071 9C 2pz 0.040157 0.065914 -0.195116 -0.179481 0.060072 -0.056355 9C 2px -0.165534 -0.084933 0.319785 0.194864 -0.023471 -0.208322 9C 2py 0.106747 -0.012793 0.037162 0.259213 -0.097947 0.151905 9C 3pz -0.256009 0.820848 0.064814 0.584573 -0.055742 -0.265957 9C 3px 0.530844 0.494411 -0.484219 -0.037364 0.168225 0.348782 9C 3py -0.200140 0.240185 0.008809 -0.013110 0.147381 -0.409939 9C 1dz2 0.000162 -0.000184 0.000732 0.003388 -0.000554 0.001355 9C 1dxz 0.005020 0.001054 -0.005166 -0.001816 0.000579 0.006727 9C 1dyz 0.001156 -0.002878 0.001735 0.000728 0.001737 0.001135 9C 1dx2y2 0.000823 0.000689 0.002320 0.005265 -0.001090 0.000802 9C 1dxy 0.001164 0.000776 -0.003804 -0.006176 0.003324 0.000387 9C 2dz2 0.007792 -0.034975 -0.025943 -0.003737 -0.006052 0.008966 9C 2dxz 0.044397 -0.016032 -0.032675 -0.022248 0.030531 -0.000896 9C 2dyz 0.047414 -0.112454 -0.075584 -0.015041 0.009396 0.011905 9C 2dx2y2 -0.008973 0.059947 -0.016281 -0.029453 0.007964 -0.014747 9C 2dxy 0.051766 -0.023869 -0.027490 0.011490 0.011707 0.017437 9C 1f0 0.001857 -0.004226 0.000931 0.010089 -0.007753 -0.003235 9C 1f+1 -0.004025 0.002917 0.003102 0.000791 -0.002259 -0.004386 9C 1f-1 -0.002228 0.004029 -0.003404 -0.000127 -0.009079 -0.005260 9C 1f+2 0.002590 0.004427 0.001985 -0.007017 0.015830 0.014102 9C 1f-2 -0.002097 -0.005314 -0.006986 0.007641 -0.017966 -0.008216 9C 1f+3 -0.001186 0.006805 0.010061 -0.000853 0.011639 0.010885 9C 1f-3 -0.002463 0.002179 0.007462 0.000919 0.003184 -0.002596 10H 1s 0.018296 -0.019810 -0.028704 -0.026852 -0.013807 0.029322 10H 2s 0.149338 -0.203235 -0.327704 -0.394200 -0.150683 0.383496 10H 3s -0.508438 0.883021 0.358031 1.272836 1.719795 -1.595008 10H 1pz -0.002025 -0.005882 -0.006444 -0.020627 -0.015207 0.013004 10H 1px -0.006129 0.016003 0.010321 0.024268 0.020772 -0.025064 10H 1py 0.000552 0.003186 0.002380 0.001894 -0.002431 0.009532 11H 1s -0.016548 -0.001407 0.014866 -0.014275 -0.018919 -0.019672 11H 2s -0.151376 -0.106640 0.204213 -0.231922 -0.252402 -0.191822 11H 3s 0.478438 0.493894 -0.979312 0.908662 1.629194 -0.253126 11H 1pz 0.001019 -0.015207 0.005800 -0.015290 -0.019308 0.007378 11H 1px -0.001874 -0.007736 0.014937 -0.007532 -0.020799 0.002757 11H 1py 0.011213 0.003605 -0.007832 0.014728 0.013554 0.005232 12H 1s 0.002665 -0.010735 0.027437 0.039977 -0.002329 0.014854 12H 2s 0.052436 -0.003884 0.401832 0.447913 -0.065676 0.207629 12H 3s 0.219876 0.655875 -1.110777 -0.135064 1.349315 -0.854076 12H 1pz 0.001267 0.009465 -0.007370 -0.009879 0.001144 -0.004954 12H 1px 0.000433 -0.001486 0.014965 0.006343 -0.012645 0.005715 12H 1py 0.002812 -0.000747 0.023319 0.009002 -0.020191 0.020470 13H 1s 0.021208 -0.017277 -0.006519 0.008653 -0.015978 -0.037423 13H 2s 0.274006 -0.139518 -0.086159 0.224290 -0.170319 -0.431250 13H 3s -0.033205 0.512500 0.723034 -0.978562 1.962955 1.177742 13H 1pz 0.001621 0.001158 -0.008884 0.014369 -0.018802 -0.015872 13H 1px -0.007651 0.006977 0.006809 -0.016799 0.021076 0.014887 13H 1py -0.006436 0.001147 0.001458 -0.015352 0.010435 0.001519 14H 1s -0.037199 0.013225 -0.012097 -0.006680 -0.013069 0.004106 14H 2s -0.488432 0.225740 -0.202991 -0.122595 -0.188082 0.062704 14H 3s 1.359169 -0.389892 0.696797 -0.816883 1.785488 -0.270113 14H 1pz -0.012586 0.009488 -0.009553 0.003051 -0.014102 -0.002928 14H 1px -0.030002 0.011377 -0.017015 0.002697 -0.028691 0.005552 14H 1py -0.008368 0.002710 -0.003063 0.001660 -0.003841 -0.002851 15H 1s -0.000178 0.007673 0.003708 0.010906 -0.019022 0.035605 15H 2s -0.032838 -0.024207 0.015186 0.125341 -0.225806 0.425855 15H 3s 0.722136 -0.323531 0.431834 -0.949663 1.840564 -0.799593 15H 1pz 0.006056 -0.005418 0.005365 -0.013225 0.021642 -0.018969 15H 1px -0.008001 -0.003153 -0.004356 -0.002633 -0.007382 0.001434 15H 1py 0.007091 0.011061 0.005922 -0.013342 0.023657 -0.009331 16H 1s 0.023067 -0.049604 0.007947 0.031263 0.011159 0.007960 16H 2s 0.230186 -0.658867 0.065587 0.371285 0.116357 0.127926 16H 3s -0.254122 0.537567 -0.025767 -0.206714 -0.109303 -0.275877 16H 1pz 0.015151 -0.037542 0.000860 0.017270 0.008841 0.010054 16H 1px -0.002938 0.011155 0.001343 -0.004193 -0.000504 -0.009557 16H 1py -0.000750 -0.009437 0.001179 0.007976 -0.000771 -0.002401 17H 1s -0.023159 0.029852 0.000631 0.014603 -0.019302 -0.007648 17H 2s -0.394779 0.357305 0.050152 0.128968 -0.287147 -0.231179 17H 3s 0.329964 -0.363877 -0.101659 -0.011074 0.277472 0.147571 17H 1pz 0.016264 -0.015422 0.001067 0.001322 0.009429 0.009064 17H 1px 0.025027 -0.018474 -0.006780 0.000736 0.017043 0.019384 17H 1py -0.010771 0.003247 -0.000624 0.004330 -0.005525 -0.006467 18H 1s 0.027173 0.029764 -0.001848 -0.018219 -0.018191 0.007562 18H 2s 0.452956 0.361184 -0.063322 -0.177081 -0.274097 0.232344 18H 3s -0.358698 -0.369615 0.108330 0.051371 0.271699 -0.151668 18H 1pz 0.018110 0.015840 0.000776 -0.000263 -0.009775 0.009599 18H 1px 0.027706 0.018980 -0.007020 -0.001594 -0.016634 0.019853 18H 1py -0.012130 -0.002763 -0.000240 0.005289 0.004923 -0.006011 19H 1s -0.020925 -0.050126 -0.009197 -0.029625 0.014184 -0.008378 19H 2s -0.208949 -0.662520 -0.086436 -0.356302 0.149238 -0.139159 19H 3s 0.254901 0.543320 0.039478 0.187097 -0.122666 0.284074 19H 1pz 0.015058 0.037352 0.001955 0.016062 -0.010177 0.010915 19H 1px -0.003173 -0.011491 0.000726 -0.004301 0.000599 -0.010071 19H 1py -0.001341 0.010163 0.001735 0.008634 -0.000225 -0.001861 20H 1s -0.000638 0.008123 -0.004563 -0.012922 -0.017420 -0.036061 20H 2s 0.040831 -0.019001 -0.028251 -0.152882 -0.208552 -0.429811 20H 3s -0.670657 -0.318072 -0.358888 1.132153 1.763295 0.795132 20H 1pz 0.005439 0.005394 0.004406 -0.015516 -0.020493 -0.019083 20H 1px -0.008500 0.003165 -0.003992 -0.001633 0.008165 0.001450 20H 1py 0.008226 -0.011103 0.004578 -0.015951 -0.022434 -0.009079 21H 1s 0.038386 0.013528 0.011897 0.005639 -0.014812 -0.003258 21H 2s 0.486333 0.228254 0.200361 0.106558 -0.216673 -0.052930 21H 3s -1.342223 -0.383802 -0.633454 0.980967 1.750059 0.235012 21H 1pz -0.011522 -0.009351 -0.009300 0.004313 0.014613 -0.003134 21H 1px -0.028904 -0.011206 -0.015981 0.005392 0.029467 0.005013 21H 1py -0.009533 -0.002739 -0.003036 0.001998 0.003985 -0.003124 22H 1s -0.021321 -0.018341 0.005282 -0.010423 -0.014939 0.037220 22H 2s -0.280081 -0.152370 0.075019 -0.242039 -0.146622 0.429003 22H 3s 0.087111 0.562357 -0.626523 1.172764 1.890988 -1.187708 22H 1pz 0.002735 -0.000569 -0.008117 0.015939 0.017635 -0.015923 22H 1px -0.007969 -0.007637 0.005720 -0.018924 -0.019513 0.015013 22H 1py -0.006924 -0.001418 0.001059 -0.016449 -0.008985 0.001615 23H 1s -0.001525 -0.009424 -0.027658 -0.040637 0.002557 -0.015457 23H 2s -0.051428 0.011782 -0.402913 -0.456640 -0.006915 -0.213654 23H 3s -0.243063 0.615958 1.205107 0.284783 1.285562 0.866949 23H 1pz 0.002259 -0.009131 -0.007854 -0.010391 -0.000025 -0.005178 23H 1px 0.000291 0.000933 0.015241 0.007314 0.011161 0.005287 23H 1py 0.003651 0.000080 0.024569 0.010998 0.018541 0.020777 24H 1s 0.015793 -0.000781 -0.016347 0.012228 -0.019126 0.020282 24H 2s 0.161613 -0.099655 -0.224895 0.202234 -0.260582 0.201800 24H 3s -0.465777 0.467894 1.098284 -0.732519 1.655001 0.239571 24H 1pz -0.000468 0.015091 0.007239 -0.013045 0.020367 0.007033 24H 1px -0.002803 0.007509 0.016557 -0.005587 0.021087 0.002238 24H 1py 0.010821 -0.003221 -0.008615 0.013181 -0.014138 0.005516 25H 1s -0.019319 -0.020793 0.027898 0.026254 -0.018406 -0.029311 25H 2s -0.163930 -0.215942 0.318161 0.385918 -0.210993 -0.386085 25H 3s 0.539251 0.907741 -0.256534 -1.133553 1.879818 1.585842 25H 1pz -0.001477 0.006362 -0.005570 -0.019301 0.017704 0.013207 25H 1px -0.006929 -0.016458 0.008863 0.022342 -0.023821 -0.025245 25H 1py 0.001105 -0.003385 0.002428 0.002293 0.001918 0.009474 26O 1s 0.002878 0.001801 -0.002539 0.002901 0.000905 -0.000236 26O 2s 0.005796 0.004053 -0.006095 0.006467 0.001481 -0.000798 26O 3s 0.011713 -0.002246 0.006510 0.001158 0.012132 0.006624 26O 4s -0.117877 -0.061931 0.043290 -0.091914 -0.091065 -0.007859 26O 5s 0.021642 0.408546 0.323006 0.258872 -0.219256 -0.165265 26O 1pz -0.072395 -0.030153 0.056924 -0.033876 -0.016173 -0.013500 26O 1px 0.004213 0.035213 -0.031678 0.063035 -0.003384 -0.061722 26O 1py 0.007504 0.022051 0.048470 0.070366 -0.012415 0.018222 26O 2pz -0.110114 -0.042896 0.059535 -0.052877 -0.016034 -0.019294 26O 2px 0.006981 0.010511 -0.051862 0.068734 0.023051 -0.050941 26O 2py 0.036666 -0.005675 0.054663 0.100883 0.001380 0.062592 26O 3pz 0.210048 0.120563 -0.004309 0.038811 0.100328 0.055633 26O 3px 0.253452 -0.058406 -0.045730 0.056261 0.106234 0.127025 26O 3py -0.075002 0.140974 -0.115959 -0.192188 0.078691 -0.170879 26O 1dz2 -0.002549 -0.000238 0.001750 -0.001153 -0.001394 -0.001134 26O 1dxz -0.000643 -0.000950 0.003411 0.002108 0.001032 -0.000587 26O 1dyz -0.000541 -0.001970 0.003015 0.001068 -0.000669 0.000196 26O 1dx2y2 0.002895 0.002807 -0.000525 0.001437 -0.000176 0.002332 26O 1dxy 0.000290 -0.002424 0.000016 0.000468 0.000865 -0.000124 26O 2dz2 0.008478 -0.013425 -0.003198 -0.003280 0.002849 0.014060 26O 2dxz -0.009062 -0.008587 0.017319 -0.005809 -0.007334 -0.003414 26O 2dyz -0.012318 0.006111 0.011776 -0.001304 -0.000729 -0.001208 26O 2dx2y2 -0.004247 0.016339 -0.010029 0.006987 -0.005855 -0.016414 26O 2dxy -0.007723 0.008332 0.011439 0.012606 -0.004969 -0.009511 26O 1f0 -0.000849 -0.000745 0.000593 -0.000576 -0.000432 -0.000287 26O 1f+1 -0.000326 0.000929 -0.000296 -0.000034 0.000037 -0.000992 26O 1f-1 -0.000408 0.000221 0.000506 -0.000798 -0.000654 0.000264 26O 1f+2 0.000724 0.000447 -0.000298 0.000784 0.000495 0.000058 26O 1f-2 0.000798 0.000483 -0.001138 -0.000337 0.000195 -0.000074 26O 1f+3 -0.000332 0.000472 -0.001807 0.000101 -0.000132 -0.000958 26O 1f-3 -0.001041 0.000612 0.000386 0.000152 0.000088 -0.001165 27O 1s 0.004354 -0.003430 0.001970 -0.001361 0.004474 0.002691 27O 2s 0.010613 -0.008421 0.004933 -0.002456 0.009991 0.006856 27O 3s -0.016638 0.014024 -0.007810 -0.010963 0.000145 -0.018427 27O 4s -0.034233 0.021346 -0.020808 0.094179 -0.146986 0.006980 27O 5s -0.248675 0.013758 -0.286484 -0.238750 0.110729 0.528153 27O 1pz -0.073482 0.023178 -0.031398 0.004058 -0.024435 -0.027498 27O 1px 0.009531 -0.020996 0.055139 -0.062064 0.021983 0.040525 27O 1py 0.030338 -0.056932 0.005996 -0.061055 0.042243 -0.064747 27O 2pz -0.106317 0.017121 -0.032929 -0.019867 -0.033453 -0.065275 27O 2px 0.005576 -0.039799 0.081450 -0.076246 0.035415 -0.003173 27O 2py 0.025366 -0.068165 -0.008834 -0.089745 0.049549 -0.079424 27O 3pz 0.177470 0.116277 -0.055454 0.188536 0.066343 0.192073 27O 3px 0.054739 0.128799 0.091534 -0.065515 -0.071770 -0.202842 27O 3py 0.074679 -0.138299 0.125313 0.148978 -0.061370 0.205226 27O 1dz2 -0.000448 0.000865 0.000008 0.000026 0.000327 -0.001137 27O 1dxz -0.000698 0.001820 -0.000916 0.002282 0.000057 0.002044 27O 1dyz 0.001058 -0.000136 0.000834 -0.001028 0.001439 -0.001341 27O 1dx2y2 0.002109 -0.000811 0.001754 -0.001355 0.000895 -0.001301 27O 1dxy 0.003783 -0.002827 0.002131 0.001025 0.000136 -0.001893 27O 2dz2 0.005704 0.004385 -0.001777 0.002122 -0.001721 -0.005902 27O 2dxz -0.015447 0.012770 -0.013838 0.002351 -0.007124 0.003808 27O 2dyz 0.004351 -0.011909 -0.001976 -0.000584 0.001684 -0.003172 27O 2dx2y2 0.005783 -0.003395 0.007692 -0.013399 0.009753 0.021469 27O 2dxy 0.012342 -0.010430 0.012462 -0.008437 0.005895 -0.023757 27O 1f0 -0.000533 0.000347 -0.000374 -0.000667 0.000249 0.000727 27O 1f+1 -0.000034 0.000170 0.000062 0.000015 0.000456 0.000880 27O 1f-1 0.000410 -0.000238 0.000638 -0.000279 0.000352 -0.000328 27O 1f+2 0.001070 -0.001035 0.001305 -0.000425 0.001091 -0.000353 27O 1f-2 -0.000287 0.000047 0.000313 -0.000279 0.000211 0.000671 27O 1f+3 0.000062 0.000414 0.000501 -0.001071 0.000482 0.000251 27O 1f-3 0.000667 -0.000396 0.001301 -0.001245 0.000418 -0.001291 28O 1s 0.003661 0.007889 -0.005300 0.000154 -0.003876 0.004753 28O 2s 0.009488 0.018612 -0.012267 0.000552 -0.010360 0.011209 28O 3s -0.021835 -0.021251 0.006047 -0.003728 0.032789 -0.013117 28O 4s -0.004287 -0.132114 0.130548 0.012804 -0.057966 -0.069386 28O 5s -0.000768 0.321734 -0.399361 -0.315721 -0.009695 0.476721 28O 1pz 0.055448 -0.023463 -0.059041 -0.033074 -0.046187 0.054933 28O 1px -0.049708 -0.046409 0.127505 0.000045 0.002184 0.001791 28O 1py -0.017385 -0.044850 -0.017626 -0.066360 -0.017494 -0.026252 28O 2pz 0.082728 -0.031513 -0.072745 -0.025342 -0.039814 0.058818 28O 2px -0.053477 -0.040325 0.146119 0.000211 -0.017261 0.029921 28O 2py -0.015612 -0.059000 -0.043275 -0.097392 -0.025892 -0.056030 28O 3pz -0.243800 -0.278916 0.131334 -0.038760 0.071580 -0.222194 28O 3px 0.008360 0.153649 0.038837 -0.096272 0.019741 0.061990 28O 3py -0.072890 -0.057896 0.244056 0.209612 0.103984 0.134893 28O 1dz2 -0.002036 -0.001430 0.000383 -0.002858 -0.000061 -0.000474 28O 1dxz -0.000154 -0.000248 0.002285 0.001210 0.000265 0.000160 28O 1dyz 0.001016 -0.000543 0.000751 0.000195 -0.001178 0.003251 28O 1dx2y2 0.001059 -0.000049 -0.001537 0.000883 -0.000461 0.000606 28O 1dxy -0.000941 0.000875 -0.000834 -0.002257 -0.001007 -0.002029 28O 2dz2 0.001158 -0.010387 0.002659 -0.005017 -0.006070 0.011906 28O 2dxz -0.011435 -0.020072 0.021629 0.009083 0.005637 -0.015988 28O 2dyz -0.000988 -0.006959 -0.000101 -0.009817 -0.010577 0.003662 28O 2dx2y2 0.016470 0.009599 -0.024333 0.005842 0.000461 0.004122 28O 2dxy 0.001768 -0.001726 0.000379 0.008346 0.001725 -0.008402 28O 1f0 -0.000110 0.001029 -0.000489 -0.000472 0.000040 -0.000791 28O 1f+1 -0.000020 -0.000170 0.000637 0.000154 -0.000255 0.000908 28O 1f-1 -0.000631 -0.000686 0.000993 0.000411 -0.000441 -0.000313 28O 1f+2 0.000016 -0.000566 0.000210 -0.000241 0.000102 0.000027 28O 1f-2 -0.000258 -0.000320 0.001078 -0.001247 -0.000629 0.000158 28O 1f+3 -0.000902 -0.000933 0.001106 -0.000765 -0.000370 -0.000091 28O 1f-3 -0.000630 0.000175 0.000996 -0.000507 0.000028 -0.000000 29O 1s 0.001810 -0.001815 -0.002629 0.005802 -0.000017 -0.000285 29O 2s 0.004133 -0.003656 -0.006432 0.013100 0.000334 -0.000828 29O 3s -0.003504 -0.008166 0.012455 -0.001551 -0.007681 0.002337 29O 4s -0.058827 0.066767 0.020031 -0.124821 0.022826 -0.015031 29O 5s 0.197014 0.030021 -0.016232 -0.110696 0.022921 0.108844 29O 1pz 0.029061 -0.065938 0.000682 0.020665 0.015240 0.018555 29O 1px 0.012187 -0.017383 0.012036 -0.013110 0.013263 0.000378 29O 1py 0.016809 -0.005203 0.050161 0.010000 0.000844 0.018202 29O 2pz 0.091570 -0.156428 -0.011007 0.051116 0.050065 0.051507 29O 2px 0.031168 -0.052296 0.045460 -0.018999 0.027260 0.010639 29O 2py 0.018035 -0.015155 0.099505 0.036820 -0.004815 0.029141 29O 3pz 0.132363 -0.326720 0.068553 0.093783 0.085423 0.087365 29O 3px 0.114367 -0.016416 -0.163624 -0.017936 0.094534 0.095885 29O 3py -0.129935 -0.029038 -0.130535 0.079148 -0.070858 -0.119306 29O 1dz2 0.001715 -0.005322 0.001655 0.003454 0.000651 0.001022 29O 1dxz -0.003099 0.002057 0.000715 0.000884 -0.002453 -0.001031 29O 1dyz 0.004234 -0.007684 0.000149 0.001942 0.002894 0.002338 29O 1dx2y2 0.000433 0.001145 -0.000313 -0.000554 0.000410 0.000206 29O 1dxy 0.003020 -0.002218 -0.000499 -0.001201 0.002059 0.001918 29O 2dz2 -0.010912 0.019851 0.000591 -0.006803 -0.006688 -0.011535 29O 2dxz 0.012936 -0.023230 -0.000503 0.007007 0.007872 0.015921 29O 2dyz -0.010360 0.021039 -0.001568 -0.004991 -0.005652 -0.006133 29O 2dx2y2 0.004904 -0.004782 -0.006816 -0.000459 0.006494 0.000943 29O 2dxy -0.011887 0.004355 0.006563 -0.001515 -0.008795 -0.006330 29O 1f0 -0.000002 -0.001928 0.000055 0.001317 0.000015 -0.000100 29O 1f+1 0.001247 -0.001251 -0.000013 0.000054 0.000760 0.001189 29O 1f-1 0.000420 -0.002631 0.000482 0.001651 0.000041 0.000528 29O 1f+2 -0.000477 0.001182 0.000219 -0.000661 -0.000366 -0.000430 29O 1f-2 -0.002365 0.002071 0.000478 -0.000134 -0.001492 -0.001683 29O 1f+3 0.000626 -0.000677 -0.000363 0.000027 0.000530 0.000654 29O 1f-3 0.001090 -0.000908 -0.000187 -0.000110 0.000719 0.000667 30O 1s 0.006363 -0.006733 0.003803 0.000065 -0.001609 -0.002323 30O 2s 0.014622 -0.016391 0.009007 -0.000474 -0.004906 -0.005529 30O 3s -0.004873 0.025727 -0.011851 0.008655 0.024563 0.005912 30O 4s -0.148021 0.087693 -0.075303 -0.035954 -0.100112 0.061370 30O 5s 0.281588 -0.553223 0.319816 0.401728 0.338182 -0.474525 30O 1pz 0.081773 -0.023889 0.028956 0.019830 -0.009982 -0.019232 30O 1px -0.093226 0.094337 -0.088093 0.054370 -0.040225 0.068938 30O 1py -0.025786 0.054454 0.030452 0.029093 0.041024 0.068591 30O 2pz 0.125849 -0.011623 0.024138 0.027701 -0.011994 -0.000524 30O 2px -0.109348 0.076575 -0.078000 0.076615 -0.053317 0.061802 30O 2py -0.047951 0.030026 0.072252 0.051570 0.059670 0.089132 30O 3pz -0.199009 0.089117 -0.154512 -0.118591 0.001915 0.004650 30O 3px -0.204709 -0.050972 0.107902 -0.015533 0.163214 -0.072617 30O 3py 0.099707 0.072626 -0.050745 -0.093127 -0.108110 -0.255786 30O 1dz2 -0.003015 -0.001497 -0.000553 -0.001827 0.000616 -0.002703 30O 1dxz -0.001882 0.001628 0.001723 0.001142 0.000459 0.000930 30O 1dyz -0.001086 0.000298 0.002161 -0.001718 0.002284 0.001001 30O 1dx2y2 0.002149 -0.002335 0.000541 -0.001285 0.000872 0.000294 30O 1dxy 0.004017 -0.000123 0.000187 0.000842 0.000631 0.001872 30O 2dz2 -0.000550 0.009012 -0.005348 0.004323 -0.001940 0.008857 30O 2dxz -0.006687 0.022331 -0.017671 0.000755 -0.007628 0.025757 30O 2dyz -0.006431 0.019338 -0.002636 -0.004455 0.003922 0.014531 30O 2dx2y2 0.011225 -0.009735 0.014958 -0.018338 0.014392 -0.001613 30O 2dxy 0.004478 -0.010133 0.013894 -0.001179 0.005241 -0.020754 30O 1f0 0.000151 -0.000384 0.000869 -0.000755 0.000729 -0.001564 30O 1f+1 -0.000029 0.000200 0.000459 0.000250 0.000217 0.000787 30O 1f-1 0.000322 0.000048 0.000109 0.000253 0.000005 0.000718 30O 1f+2 0.000304 0.000702 -0.001113 0.000730 -0.000409 0.000285 30O 1f-2 0.000861 0.000524 -0.000573 -0.000202 0.000090 0.000366 30O 1f+3 -0.001786 0.000294 -0.001020 0.001011 -0.000831 -0.000218 30O 1f-3 0.000496 0.000335 -0.001460 0.000150 -0.000557 0.000614 31O 1s -0.006707 -0.006724 -0.003966 -0.000250 -0.001443 0.002252 31O 2s -0.015479 -0.016368 -0.009447 -0.000067 -0.004568 0.005355 31O 3s 0.006837 0.025589 0.013175 -0.006297 0.024756 -0.005541 31O 4s 0.150331 0.088136 0.072539 0.026879 -0.106646 -0.060226 31O 5s -0.313894 -0.554204 -0.312049 -0.361487 0.401593 0.458383 31O 1pz 0.080850 0.024459 0.030342 0.021403 0.005797 -0.019582 31O 1px -0.095062 -0.093357 -0.088167 0.058429 0.039878 0.067469 31O 1py -0.027982 -0.056589 0.026560 0.025385 -0.044460 0.068312 31O 2pz 0.120945 0.012916 0.025878 0.030486 0.007178 -0.001605 31O 2px -0.108377 -0.075653 -0.077559 0.081444 0.049909 0.060791 31O 2py -0.049720 -0.034002 0.067630 0.045973 -0.067750 0.089520 31O 3pz -0.199646 -0.089254 -0.153199 -0.121039 0.022127 -0.002470 31O 3px -0.188298 0.046516 0.097750 -0.032646 -0.170040 -0.063433 31O 3py 0.121471 -0.065586 -0.052319 -0.084545 0.117941 -0.250136 31O 1dz2 0.002989 -0.001477 0.000561 0.001910 0.000415 0.002649 31O 1dxz 0.001709 0.001665 -0.001636 -0.001098 0.000692 -0.000992 31O 1dyz 0.001015 0.000362 -0.002041 0.001961 0.002213 -0.000996 31O 1dx2y2 -0.002176 -0.002294 -0.000572 0.001418 0.000713 -0.000240 31O 1dxy -0.003938 -0.000127 -0.000189 -0.000800 0.000719 -0.001862 31O 2dz2 0.000275 0.008801 0.005357 -0.004603 -0.001795 -0.009122 31O 2dxz 0.007446 0.022156 0.017488 -0.001740 -0.008825 -0.025280 31O 2dyz 0.008157 0.019828 0.003261 0.004645 0.003029 -0.014011 31O 2dx2y2 -0.012419 -0.009517 -0.014462 0.019891 0.013378 0.001157 31O 2dxy -0.006316 -0.010043 -0.013533 0.001880 0.006176 0.020087 31O 1f0 0.000202 0.000376 0.000822 -0.000827 -0.000716 -0.001534 31O 1f+1 0.000007 -0.000198 0.000441 0.000228 -0.000264 0.000816 31O 1f-1 0.000355 -0.000044 0.000107 0.000253 -0.000035 0.000737 31O 1f+2 0.000238 -0.000678 -0.001103 0.000782 0.000394 0.000271 31O 1f-2 0.000748 -0.000525 -0.000566 -0.000193 -0.000015 0.000321 31O 1f+3 -0.001795 -0.000297 -0.000996 0.001083 0.000775 -0.000221 31O 1f-3 0.000387 -0.000300 -0.001416 0.000221 0.000631 0.000584 32O 1s -0.001426 -0.002019 0.002454 -0.005923 0.000272 0.000062 32O 2s -0.003330 -0.004125 0.006082 -0.013334 0.000957 0.000315 32O 3s 0.005029 -0.007810 -0.013390 0.000683 -0.007072 -0.002015 32O 4s 0.045109 0.071417 -0.012743 0.130122 0.014643 0.018910 32O 5s -0.206548 0.023358 0.017964 0.115572 0.012680 -0.105878 32O 1pz 0.029683 0.066619 0.000470 0.016398 -0.016702 0.018530 32O 1px 0.011342 0.017347 0.011496 -0.015142 -0.012405 -0.000354 32O 1py 0.010527 0.006866 0.052477 0.011516 -0.004127 0.017516 32O 2pz 0.095012 0.158476 -0.011591 0.040258 -0.053099 0.052815 32O 2px 0.027980 0.051829 0.045254 -0.023370 -0.027463 0.008739 32O 2py 0.002896 0.019273 0.105089 0.041397 -0.003668 0.027750 32O 3pz 0.139733 0.324916 0.079199 0.081536 -0.099817 0.094471 32O 3px 0.156997 0.017048 -0.173809 -0.036192 -0.083663 0.102028 32O 3py -0.122083 0.034290 -0.128956 0.088530 0.066781 -0.107248 32O 1dz2 -0.001205 -0.004998 -0.001843 -0.003335 0.000889 -0.000969 32O 1dxz 0.003614 0.002252 -0.000855 -0.001230 -0.002422 0.001117 32O 1dyz -0.004527 -0.007896 -0.000296 -0.001628 0.003099 -0.002475 32O 1dx2y2 -0.000301 0.001311 0.000355 0.000609 0.000245 -0.000107 32O 1dxy -0.003403 -0.002143 0.000594 0.001525 0.001863 -0.001923 32O 2dz2 0.011103 0.018836 -0.000129 0.005649 -0.006778 0.011463 32O 2dxz -0.014652 -0.023960 0.000163 -0.005890 0.008520 -0.016797 32O 2dyz 0.011423 0.021576 0.002140 0.004380 -0.006193 0.007005 32O 2dx2y2 -0.005707 -0.005431 0.006962 0.000971 0.006334 -0.001485 32O 2dxy 0.012732 0.004111 -0.006816 0.000200 -0.008333 0.005910 32O 1f0 -0.000143 0.001801 0.000114 0.001243 -0.000117 -0.000060 32O 1f+1 0.001479 0.001295 -0.000033 -0.000102 -0.000802 0.001255 32O 1f-1 0.000248 0.002679 0.000637 0.001714 -0.000169 0.000578 32O 1f+2 -0.000405 -0.001245 0.000141 -0.000700 0.000369 -0.000465 32O 1f-2 -0.002628 -0.002127 0.000513 0.000070 0.001471 -0.001707 32O 1f+3 0.000630 0.000610 -0.000357 -0.000046 -0.000456 0.000608 32O 1f-3 0.001241 0.000956 -0.000219 -0.000199 -0.000709 0.000706 33O 1s -0.003692 0.007641 0.005511 -0.000295 -0.004152 -0.004534 33O 2s -0.009523 0.018009 0.012705 -0.001000 -0.010974 -0.010664 33O 3s 0.021118 -0.020440 -0.005491 0.006369 0.032666 0.012032 33O 4s 0.009148 -0.128907 -0.140823 -0.023054 -0.049009 0.068261 33O 5s -0.007542 0.314946 0.421508 0.318715 -0.062203 -0.472467 33O 1pz 0.057219 0.026448 -0.057375 -0.029752 0.052102 0.054963 33O 1px -0.052092 0.042569 0.130409 0.002508 -0.008366 0.002390 33O 1py -0.015194 0.045764 -0.014587 -0.065046 0.025579 -0.026133 33O 2pz 0.085290 0.036115 -0.070966 -0.023079 0.045740 0.059326 33O 2px -0.055672 0.036022 0.149355 0.004412 0.010046 0.030004 33O 2py -0.012920 0.060935 -0.039357 -0.095528 0.038728 -0.055593 33O 3pz -0.236580 0.268454 0.139763 -0.046840 -0.073310 -0.216675 33O 3px -0.004612 -0.156637 0.029932 -0.094123 -0.012066 0.056801 33O 3py -0.064698 0.049370 0.240320 0.197814 -0.137730 0.137560 33O 1dz2 0.001998 -0.001383 -0.000438 0.002859 -0.000357 0.000559 33O 1dxz 0.000321 -0.000174 -0.002289 -0.001262 0.000505 -0.000170 33O 1dyz -0.000809 -0.000533 -0.000814 -0.000350 -0.001163 -0.003215 33O 1dx2y2 -0.001171 -0.000135 0.001525 -0.000881 -0.000416 -0.000645 33O 1dxy 0.000784 0.000827 0.000748 0.002162 -0.001254 0.002032 33O 2dz2 -0.000785 -0.010420 -0.003160 0.004364 -0.006562 -0.011712 33O 2dxz 0.012049 -0.019364 -0.022606 -0.009013 0.007658 0.015490 33O 2dyz -0.000051 -0.007110 -0.000383 0.009113 -0.011699 -0.003752 33O 2dx2y2 -0.016001 0.009041 0.025068 -0.005538 -0.000141 -0.003888 33O 2dxy -0.002435 -0.001822 -0.000342 -0.007893 0.002771 0.008207 33O 1f0 -0.000067 -0.001026 -0.000534 -0.000490 0.000016 -0.000804 33O 1f+1 -0.000090 0.000151 0.000642 0.000198 0.000217 0.000882 33O 1f-1 -0.000607 0.000648 0.001039 0.000448 0.000341 -0.000305 33O 1f+2 -0.000001 0.000575 0.000251 -0.000245 -0.000086 0.000047 33O 1f-2 -0.000269 0.000302 0.001126 -0.001169 0.000706 0.000142 33O 1f+3 -0.000908 0.000910 0.001177 -0.000712 0.000391 -0.000082 33O 1f-3 -0.000637 -0.000209 0.001003 -0.000486 -0.000023 0.000001 34O 1s -0.004414 -0.003299 -0.001863 0.001898 0.004389 -0.002612 34O 2s -0.010762 -0.008080 -0.004710 0.003700 0.009880 -0.006661 34O 3s 0.017000 0.013225 0.008150 0.010137 -0.001200 0.018039 34O 4s 0.034577 0.021399 0.015312 -0.107603 -0.137781 -0.007198 34O 5s 0.247421 0.010423 0.281913 0.248306 0.060709 -0.521954 34O 1pz -0.072299 -0.023599 -0.031186 0.006088 0.025916 -0.026814 34O 1px 0.009231 0.017997 0.054845 -0.065026 -0.017685 0.040173 34O 1py 0.032174 0.057648 0.005635 -0.065253 -0.036463 -0.064227 34O 2pz -0.106775 -0.018212 -0.032496 -0.016997 0.037109 -0.064789 34O 2px 0.004990 0.035904 0.080638 -0.080496 -0.031634 -0.003048 34O 2py 0.024945 0.069347 -0.009090 -0.094138 -0.039877 -0.079108 34O 3pz 0.182179 -0.109674 -0.059614 0.182680 -0.081107 0.194641 34O 3px 0.044615 -0.128017 0.086946 -0.052478 0.067808 -0.199486 34O 3py 0.095925 0.133736 0.131611 0.146928 0.041166 0.203979 34O 1dz2 0.000410 0.000844 0.000023 -0.000009 0.000335 0.001134 34O 1dxz 0.001065 0.001798 0.000927 -0.002318 0.000244 -0.001970 34O 1dyz -0.001134 -0.000148 -0.000761 0.001176 0.001381 0.001285 34O 1dx2y2 -0.001963 -0.000754 -0.001698 0.001400 0.000862 0.001300 34O 1dxy -0.003787 -0.002851 -0.002145 -0.001016 0.000365 0.001874 34O 2dz2 -0.006257 0.003949 0.001961 -0.002369 -0.001375 0.005819 34O 2dxz 0.015630 0.012688 0.013891 -0.002996 -0.007660 -0.003480 34O 2dyz -0.004392 -0.012035 0.001619 0.000665 0.001506 0.003133 34O 2dx2y2 -0.006359 -0.003218 -0.007532 0.014671 0.008302 -0.021032 34O 2dxy -0.012100 -0.010433 -0.012349 0.008742 0.005878 0.023636 34O 1f0 -0.000511 -0.000345 -0.000390 -0.000693 -0.000152 0.000721 34O 1f+1 -0.000040 -0.000175 0.000047 -0.000048 -0.000445 0.000867 34O 1f-1 0.000426 0.000228 0.000625 -0.000303 -0.000360 -0.000316 34O 1f+2 0.001072 0.001009 0.001284 -0.000535 -0.001122 -0.000343 34O 1f-2 -0.000281 -0.000070 0.000309 -0.000302 -0.000185 0.000664 34O 1f+3 0.000150 -0.000409 0.000471 -0.001136 -0.000388 0.000249 34O 1f-3 0.000691 0.000391 0.001272 -0.001270 -0.000366 -0.001280 35O 1s -0.003174 0.001712 0.002599 -0.002812 0.001195 0.000017 35O 2s -0.006526 0.003869 0.006185 -0.006342 0.002153 0.000266 35O 3s -0.010211 -0.002570 -0.005612 0.000470 0.011671 -0.005729 35O 4s 0.119843 -0.058738 -0.050573 0.081123 -0.097439 0.010095 35O 5s -0.029992 0.419290 -0.318806 -0.282824 -0.178006 0.162325 35O 1pz -0.075772 0.027599 0.059650 -0.030381 0.016425 -0.014653 35O 1px 0.004029 -0.035329 -0.032508 0.063003 -0.002662 -0.061307 35O 1py 0.006388 -0.023395 0.048574 0.072437 0.002816 0.018629 35O 2pz -0.112881 0.039616 0.062497 -0.049775 0.018127 -0.020484 35O 2px 0.006278 -0.009914 -0.053870 0.064704 -0.028009 -0.050897 35O 2py 0.034180 0.004888 0.054377 0.100868 -0.013969 0.062511 35O 3pz 0.193409 -0.116833 -0.010887 0.035960 -0.102712 0.051033 35O 3px 0.227029 0.065619 -0.047266 0.048118 -0.108988 0.116325 35O 3py -0.088037 -0.137548 -0.119329 -0.192642 -0.053529 -0.175990 35O 1dz2 0.002498 -0.000149 -0.001822 0.001000 -0.001392 0.001093 35O 1dxz 0.000545 -0.000825 -0.003412 -0.002059 0.001387 0.000497 35O 1dyz 0.000492 -0.001863 -0.003138 -0.001137 -0.000424 -0.000229 35O 1dx2y2 -0.002948 0.002694 0.000652 -0.001406 -0.000044 -0.002289 35O 1dxy -0.000049 -0.002422 -0.000101 -0.000457 0.000892 0.000156 35O 2dz2 -0.006866 -0.013586 0.002931 0.003339 0.002176 -0.013642 35O 2dxz 0.009246 -0.007950 -0.018122 0.004713 -0.006957 0.003336 35O 2dyz 0.012786 0.006656 -0.011854 0.000714 -0.000220 0.001433 35O 2dx2y2 0.003479 0.016453 0.010402 -0.007553 -0.005352 0.016192 35O 2dxy 0.007240 0.009075 -0.011475 -0.013384 -0.002964 0.009136 35O 1f0 -0.000873 0.000708 0.000644 -0.000503 0.000461 -0.000286 35O 1f+1 -0.000212 -0.000943 -0.000335 -0.000038 -0.000042 -0.000968 35O 1f-1 -0.000399 -0.000239 0.000547 -0.000707 0.000705 0.000256 35O 1f+2 0.000775 -0.000432 -0.000354 0.000698 -0.000560 0.000063 35O 1f-2 0.000796 -0.000438 -0.001165 -0.000365 -0.000105 -0.000085 35O 1f+3 -0.000341 -0.000451 -0.001822 0.000124 0.000202 -0.000955 35O 1f-3 -0.000929 -0.000662 0.000360 0.000151 -0.000134 -0.001124 192 193 194 195 196 197 0.43704 0.44060 0.44431 0.44639 0.44770 0.45602 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s -0.000465 0.000865 -0.001144 -0.000883 -0.000394 -0.000538 0Rh 2s 0.001558 -0.002157 0.004920 0.003736 0.001295 0.001381 0Rh 3s -0.001742 0.003707 -0.003618 -0.002831 -0.001496 -0.002281 0Rh 4s -0.006850 0.009099 -0.022193 -0.016820 -0.005684 -0.005854 0Rh 5s 0.003943 0.002083 0.023368 0.017105 0.003079 -0.000853 0Rh 6s 0.018999 -0.054902 0.020468 0.018335 0.016200 0.033511 0Rh 7s -0.014160 0.277788 -0.004540 -0.059944 -0.041227 -0.190129 0Rh 8s -0.039345 0.391548 0.131474 0.183603 0.117578 -0.198889 0Rh 1pz -0.005404 0.005201 -0.000092 0.000485 0.001408 0.002227 0Rh 1px -0.000664 0.002210 -0.000324 0.000516 0.000095 0.001014 0Rh 1py -0.005615 -0.005599 0.010467 0.008151 0.002124 0.001610 0Rh 2pz 0.019075 -0.018229 0.000185 -0.001861 -0.004526 -0.007676 0Rh 2px 0.002462 -0.007955 0.001746 -0.001317 -0.000260 -0.003324 0Rh 2py 0.019423 0.019335 -0.036395 -0.028384 -0.007399 -0.005539 0Rh 3pz -0.025735 0.022197 0.002419 0.005260 -0.002126 0.006940 0Rh 3px -0.005429 0.013671 -0.013559 -0.007683 -0.001068 -0.000334 0Rh 3py -0.018956 -0.018190 0.038705 0.030997 0.008153 0.004814 0Rh 4pz 0.007407 0.002118 -0.010609 -0.010705 0.029834 0.009826 0Rh 4px 0.008524 -0.014830 0.043527 0.035944 0.005497 0.018001 0Rh 4py -0.019689 -0.022525 0.026608 0.017405 0.004093 0.007696 0Rh 5pz -0.078407 0.049954 0.024058 0.021345 -0.055989 0.000663 0Rh 5px -0.023731 0.058139 -0.090555 -0.068888 -0.014236 -0.035123 0Rh 5py -0.016093 -0.009328 0.047910 0.045133 0.010533 0.003531 0Rh 6pz 1.161278 -0.537254 -0.161867 -0.062003 0.777166 0.130652 0Rh 6px 0.234331 -0.792948 0.503107 0.376816 0.230351 0.584954 0Rh 6py 0.129461 0.185087 -0.719454 -0.569697 0.049117 -0.199396 0Rh 1dz2 -0.025740 0.018850 0.002352 0.001811 -0.009035 -0.004289 0Rh 1dxz 0.016040 -0.017169 0.001103 -0.000986 0.010488 0.005176 0Rh 1dyz 0.001212 -0.004911 -0.001859 0.002816 0.003805 -0.000228 0Rh 1dx2y2 -0.001692 -0.003099 0.001627 0.001918 0.004754 -0.002294 0Rh 1dxy -0.000836 -0.001567 -0.005018 -0.002145 -0.005761 0.006070 0Rh 2dz2 0.001149 -0.001073 0.000206 -0.000688 0.000095 0.000104 0Rh 2dxz -0.001705 0.001619 -0.000058 0.000493 -0.000552 -0.000378 0Rh 2dyz 0.000758 0.000361 -0.000371 -0.000017 -0.000213 0.000224 0Rh 2dx2y2 0.000229 0.000530 -0.000528 -0.000555 -0.000100 0.000060 0Rh 2dxy -0.000082 -0.000356 0.001603 0.001024 0.000554 -0.000542 0Rh 3dz2 0.043163 -0.030683 -0.005269 -0.000507 0.016497 0.007586 0Rh 3dxz -0.022859 0.025335 -0.001781 -0.000214 -0.017321 -0.008118 0Rh 3dyz -0.005393 0.007641 0.004841 -0.004993 -0.006182 -0.000493 0Rh 3dx2y2 0.002150 0.003613 -0.000886 -0.001298 -0.008489 0.004001 0Rh 3dxy 0.001853 0.004393 0.002656 -0.000191 0.008472 -0.009117 0Rh 4dz2 0.045088 -0.036234 0.000823 -0.011819 0.010986 0.006531 0Rh 4dxz -0.040709 0.041216 -0.002438 0.008092 -0.018967 -0.010943 0Rh 4dyz 0.007425 0.011222 0.000105 -0.006851 -0.008189 0.003273 0Rh 4dx2y2 0.006076 0.010139 -0.008784 -0.009613 -0.006198 0.003940 0Rh 4dxy -0.000076 -0.002702 0.028322 0.015205 0.014002 -0.014522 0Rh 5dz2 0.069282 -0.035439 -0.041320 0.047052 0.062654 0.015207 0Rh 5dxz 0.008076 -0.006077 0.005766 -0.030009 -0.036126 -0.003492 0Rh 5dyz -0.035488 -0.015470 -0.024075 0.044700 0.017331 -0.016002 0Rh 5dx2y2 -0.020198 -0.012540 0.015794 0.024943 -0.028797 -0.003276 0Rh 5dxy 0.013082 0.026197 -0.093268 -0.032819 -0.002566 0.009628 0Rh 1f0 -0.000315 -0.002448 0.005085 0.004973 0.001452 0.000740 0Rh 1f+1 -0.001955 0.002123 0.002969 -0.000278 0.001548 -0.000063 0Rh 1f-1 -0.000207 -0.002228 0.004112 0.005515 0.003526 0.003583 0Rh 1f+2 -0.000513 -0.002108 0.003130 0.003153 -0.002146 -0.000936 0Rh 1f-2 -0.006961 -0.001380 0.004144 0.001465 -0.001655 0.001197 0Rh 1f+3 0.004393 0.001786 -0.000822 0.000387 0.001486 0.000828 0Rh 1f-3 0.000877 -0.002346 -0.006725 -0.003159 0.002984 -0.001416 1Rh 1s 0.000376 -0.000820 -0.001107 -0.000848 0.000618 0.000467 1Rh 2s -0.001193 0.001959 0.004777 0.003609 -0.002249 -0.001241 1Rh 3s 0.001454 -0.003567 -0.003491 -0.002705 0.002210 0.001952 1Rh 4s 0.005210 -0.008206 -0.021556 -0.016259 0.009983 0.005295 1Rh 5s -0.002343 -0.003031 0.022813 0.016692 -0.007525 0.000139 1Rh 6s -0.016944 0.054057 0.019492 0.017158 -0.020541 -0.027679 1Rh 7s 0.012344 -0.283670 -0.002779 -0.056877 0.052992 0.171643 1Rh 8s 0.049011 -0.383557 0.104303 0.166340 -0.157650 0.195998 1Rh 1pz -0.005267 0.005314 0.000750 0.000045 0.001331 0.002176 1Rh 1px -0.000571 0.002121 0.000477 -0.000391 0.000176 0.001231 1Rh 1py -0.006640 -0.005040 -0.009947 -0.007756 0.003982 0.000966 1Rh 2pz 0.018619 -0.018630 -0.002441 0.000033 -0.004291 -0.007484 1Rh 2px 0.002089 -0.007620 -0.002269 0.000884 -0.000417 -0.004105 1Rh 2py 0.022991 0.017384 0.034585 0.027009 -0.013859 -0.003303 1Rh 3pz -0.025601 0.022821 -0.000588 -0.003575 -0.001731 0.006464 1Rh 3px -0.004071 0.012798 0.013942 0.008042 -0.003228 0.000964 1Rh 3py -0.022874 -0.015996 -0.036772 -0.029528 0.015051 0.002544 1Rh 4pz 0.009085 0.001656 0.014352 0.012985 0.027208 0.010714 1Rh 4px 0.005074 -0.013077 -0.042475 -0.035232 0.014513 0.016721 1Rh 4py -0.021752 -0.021592 -0.025374 -0.016452 0.008742 0.005661 1Rh 5pz -0.080530 0.052028 -0.025751 -0.021066 -0.051545 -0.001558 1Rh 5px -0.015513 0.053556 0.089577 0.068443 -0.031444 -0.029849 1Rh 5py -0.022406 -0.005549 -0.045446 -0.043364 0.018909 0.001223 1Rh 6pz 1.170207 -0.555275 0.186643 0.060068 0.756158 0.140681 1Rh 6px 0.182948 -0.766208 -0.493022 -0.374433 0.320037 0.551528 1Rh 6py 0.223582 0.134096 0.707700 0.567083 -0.067161 -0.159004 1Rh 1dz2 0.025758 -0.019062 0.002103 0.001071 0.008374 0.004382 1Rh 1dxz -0.015941 0.017075 0.000407 -0.000991 -0.010510 -0.004797 1Rh 1dyz -0.001114 0.004851 -0.002094 0.002745 -0.003668 0.000345 1Rh 1dx2y2 0.001937 0.002950 0.000731 0.001410 -0.005206 0.002276 1Rh 1dxy 0.000418 0.001772 -0.004051 -0.001604 0.006326 -0.006340 1Rh 2dz2 -0.001116 0.001092 0.000272 -0.000606 -0.000023 -0.000107 1Rh 2dxz 0.001706 -0.001638 -0.000082 0.000440 0.000530 0.000380 1Rh 2dyz -0.000791 -0.000330 -0.000335 0.000013 0.000234 -0.000220 1Rh 2dx2y2 -0.000299 -0.000499 -0.000503 -0.000558 0.000235 -0.000116 1Rh 2dxy 0.000199 0.000293 0.001483 0.000969 -0.000823 0.000626 1Rh 3dz2 -0.043333 0.031001 -0.005080 0.000531 -0.015554 -0.007752 1Rh 3dxz 0.022670 -0.025080 -0.000382 0.000016 0.017450 0.007399 1Rh 3dyz 0.005343 -0.007659 0.005127 -0.004988 0.005841 0.000255 1Rh 3dx2y2 -0.002318 -0.003465 0.000682 -0.000337 0.008784 -0.003736 1Rh 3dxy -0.001564 -0.004517 0.001344 -0.000973 -0.008408 0.009273 1Rh 4dz2 -0.044655 0.036749 0.002064 -0.009799 -0.009343 -0.006569 1Rh 4dxz 0.040611 -0.041371 -0.001964 0.007392 0.018705 0.010593 1Rh 4dyz -0.007930 -0.010680 0.000907 -0.006342 0.008270 -0.003297 1Rh 4dx2y2 -0.007305 -0.009524 -0.007442 -0.009081 0.008472 -0.004713 1Rh 4dxy 0.002129 0.001664 0.025614 0.013840 -0.018326 0.015952 1Rh 5dz2 -0.071738 0.034960 -0.046246 0.044051 -0.062529 -0.018045 1Rh 5dxz -0.008781 0.007925 0.011895 -0.026161 0.036960 -0.000563 1Rh 5dyz 0.035948 0.012612 -0.026757 0.042001 -0.017779 0.013418 1Rh 5dx2y2 0.023332 0.010833 0.019628 0.028138 0.024089 0.009074 1Rh 5dxy -0.017801 -0.024409 -0.090794 -0.032169 0.017537 -0.012789 1Rh 1f0 -0.000929 -0.002153 -0.004891 -0.004851 0.002489 0.000486 1Rh 1f+1 -0.002140 0.002108 -0.002624 0.000571 0.001862 -0.000036 1Rh 1f-1 -0.000703 -0.001821 -0.003445 -0.005133 0.004336 0.003250 1Rh 1f+2 -0.000956 -0.001884 -0.003545 -0.003379 -0.001467 -0.001064 1Rh 1f-2 -0.007319 -0.001208 -0.004152 -0.001441 -0.001064 0.000905 1Rh 1f+3 0.004475 0.001741 0.000926 -0.000330 0.001455 0.000905 1Rh 1f-3 0.001405 -0.002653 0.007005 0.003276 0.001907 -0.000920 2C 1s -0.021562 0.006489 0.013403 -0.005387 0.028248 -0.001357 2C 2s -0.045174 0.013671 0.028266 -0.011415 0.059648 -0.002887 2C 3s -0.078925 0.033067 0.020205 -0.015866 0.041471 -0.008490 2C 4s 1.363695 -0.436879 -0.610794 0.292350 -1.376405 0.119995 2C 5s -2.085017 -0.754490 3.758552 0.575737 7.741631 -0.329741 2C 1pz -0.017620 -0.013608 -0.022962 -0.015243 0.059144 0.072701 2C 1px -0.014361 -0.000617 -0.053818 0.007341 0.015188 0.048766 2C 1py 0.021908 0.017376 0.144009 -0.030010 0.020538 -0.126861 2C 2pz -0.029490 -0.076281 -0.048941 -0.052638 0.331860 0.281741 2C 2px -0.100617 0.020386 -0.207224 0.019754 0.078463 0.201438 2C 2py 0.122448 0.018835 0.599553 -0.083593 0.155142 -0.513843 2C 3pz 0.273746 -0.123835 1.070626 0.253165 1.238549 -0.290743 2C 3px 0.102792 0.096457 0.629578 0.172190 0.129150 -0.350611 2C 3py 0.024148 -0.861546 -0.281224 0.474224 0.961202 0.809406 2C 1dz2 0.002595 -0.003147 -0.004269 0.001302 -0.000601 0.002881 2C 1dxz -0.002226 -0.002527 -0.005425 0.002320 0.001247 0.005359 2C 1dyz 0.004149 -0.000335 0.000218 0.000813 -0.002569 -0.001875 2C 1dx2y2 -0.000823 -0.001548 -0.002756 -0.000299 0.000945 0.002843 2C 1dxy 0.002757 -0.000542 0.004314 0.000654 -0.000366 -0.003416 2C 2dz2 -0.006293 -0.059208 0.038161 0.032676 0.024250 -0.049166 2C 2dxz 0.000990 -0.035112 0.043293 -0.022599 0.033693 -0.043054 2C 2dyz -0.011960 0.038014 0.008284 -0.013508 0.059255 0.029244 2C 2dx2y2 -0.018484 -0.030872 0.009833 0.001502 -0.009915 -0.036618 2C 2dxy -0.028858 0.008034 -0.015972 -0.005969 0.032592 0.019363 2C 1f0 0.004417 -0.001753 0.006151 0.001641 -0.006414 -0.008903 2C 1f+1 -0.000592 0.000968 -0.006372 -0.000376 0.000832 0.007423 2C 1f-1 0.005790 -0.002689 -0.001510 0.000625 -0.002062 0.001869 2C 1f+2 -0.010400 0.003711 0.008926 -0.004833 0.009242 -0.004606 2C 1f-2 0.012396 -0.005537 0.000457 0.001967 -0.010151 -0.004803 2C 1f+3 -0.010368 0.003625 0.012766 -0.004224 0.011092 -0.009852 2C 1f-3 -0.003077 0.001962 -0.004730 0.000920 0.002434 0.005228 3C 1s 0.007084 0.030287 -0.004879 0.008137 0.000919 0.017041 3C 2s 0.014770 0.063396 -0.010312 0.016969 0.001752 0.036424 3C 3s 0.007297 0.089965 -0.002436 0.027012 -0.007527 0.020581 3C 4s -0.289322 -1.766846 0.165663 -0.443884 -0.005614 -0.807415 3C 5s 3.070564 5.791689 0.325538 1.915322 2.193336 3.956780 3C 1pz 0.046414 0.078507 -0.009183 0.165760 0.045165 -0.102664 3C 1px 0.032486 0.028299 -0.008620 0.064202 0.020900 -0.019823 3C 1py -0.020515 -0.012015 0.015732 0.049794 0.015721 -0.082640 3C 2pz 0.158990 0.321338 -0.018849 0.643040 0.221143 -0.377703 3C 2px 0.164722 0.122502 -0.045439 0.247823 0.105566 -0.050097 3C 2py -0.114095 -0.043692 0.091605 0.215683 0.026764 -0.393419 3C 3pz -0.116243 -0.061061 0.130989 -0.797651 0.284979 1.258140 3C 3px 0.000143 0.248226 -0.000175 -0.239719 0.213986 0.352742 3C 3py -1.048820 -0.616689 -0.029007 -0.786050 -0.519498 -0.194032 3C 1dz2 0.002210 0.000720 -0.000524 0.000756 -0.000176 -0.000093 3C 1dxz 0.002026 0.000161 -0.001062 0.003453 0.001026 -0.002813 3C 1dyz -0.001111 0.002633 -0.001990 -0.003613 -0.001881 0.005201 3C 1dx2y2 0.003614 0.003373 -0.001589 0.007520 0.000916 -0.004307 3C 1dxy -0.000233 0.004011 0.000253 0.004280 -0.000078 -0.002412 3C 2dz2 0.026835 -0.028966 -0.026649 -0.011139 -0.044917 -0.015050 3C 2dxz 0.032119 -0.015453 -0.004953 -0.027376 -0.026041 0.027488 3C 2dyz -0.032291 -0.017214 0.041690 0.040806 0.032331 -0.047202 3C 2dx2y2 0.028034 -0.022743 0.014663 -0.038196 -0.065054 -0.007745 3C 2dxy -0.020494 -0.029642 -0.014320 -0.030679 -0.012178 -0.015978 3C 1f0 -0.002022 -0.010753 0.001160 -0.013674 -0.005998 0.004526 3C 1f+1 0.000070 -0.005059 -0.001186 -0.005213 -0.001599 0.001291 3C 1f-1 0.000638 -0.005571 0.002149 0.008405 0.005492 -0.010240 3C 1f+2 0.004196 0.019333 -0.001232 0.006950 -0.000823 0.008186 3C 1f-2 0.001080 0.014081 -0.001095 0.005618 -0.000304 0.004361 3C 1f+3 -0.000186 -0.005179 -0.000626 -0.009457 -0.004000 0.006608 3C 1f-3 -0.001403 -0.000278 0.003781 0.000613 -0.000351 -0.002596 4C 1s 0.012005 -0.001344 -0.014899 0.003188 -0.021120 -0.000644 4C 2s 0.025283 -0.002710 -0.031990 0.007033 -0.045272 -0.001167 4C 3s 0.020137 -0.046263 0.038656 -0.016631 0.075208 0.017556 4C 4s -0.573405 0.360201 0.298439 0.026913 0.392113 -0.090239 4C 5s 1.587753 0.822548 -3.339787 -0.462913 -5.474309 -0.217144 4C 1pz 0.042610 0.011907 0.046190 -0.051428 0.031653 0.011262 4C 1px -0.052718 0.044946 0.026288 -0.001865 0.008439 0.011173 4C 1py -0.045716 -0.052855 0.014748 0.001295 0.005368 -0.021562 4C 2pz 0.052440 0.136227 0.028784 -0.047189 -0.016843 0.028984 4C 2px -0.212298 0.287783 -0.075795 -0.177804 -0.186065 -0.063775 4C 2py -0.146061 -0.097323 -0.007163 -0.009813 -0.094369 -0.157367 4C 3pz 1.092650 -1.457701 1.148499 1.201252 2.080543 -0.173844 4C 3px 0.551173 -0.684101 -0.007777 -0.146395 0.430044 -0.050487 4C 3py 1.034906 -0.049998 0.555358 0.395293 1.411070 0.326672 4C 1dz2 0.007589 -0.003894 0.010408 0.000359 0.009999 -0.001841 4C 1dxz 0.010861 -0.003342 0.005367 -0.003927 0.000467 -0.004360 4C 1dyz 0.000496 -0.003367 0.003982 -0.001652 0.008586 0.003169 4C 1dx2y2 -0.007769 0.009436 -0.002333 0.001266 -0.007166 -0.005758 4C 1dxy -0.004491 0.004575 -0.002304 0.000098 -0.003640 0.000195 4C 2dz2 -0.040285 0.047861 0.040489 0.022976 -0.062473 -0.012699 4C 2dxz -0.079717 0.061238 -0.043614 -0.094425 -0.037154 -0.002818 4C 2dyz -0.055257 0.019798 -0.121420 0.030385 -0.108581 -0.002690 4C 2dx2y2 0.021266 0.074568 -0.015704 -0.020331 -0.039070 -0.020378 4C 2dxy 0.056838 0.017067 0.009081 -0.023068 -0.072150 -0.067670 4C 1f0 0.003486 -0.000207 0.000928 -0.001053 0.002363 0.004363 4C 1f+1 0.001396 -0.005534 -0.000646 -0.001550 0.005967 0.003272 4C 1f-1 0.004557 -0.003624 -0.000508 0.002036 0.002815 0.002097 4C 1f+2 -0.001680 0.006473 -0.001757 0.002073 -0.002025 0.001928 4C 1f-2 0.001389 0.002816 -0.001296 -0.003119 -0.001427 0.001290 4C 1f+3 0.005474 -0.005091 0.002192 0.004038 0.002576 -0.000162 4C 1f-3 0.003951 -0.007576 0.004208 0.000905 0.007878 0.004631 5C 1s -0.008487 -0.022213 0.009429 -0.009309 -0.002498 -0.010952 5C 2s -0.018214 -0.047273 0.020758 -0.019788 -0.005727 -0.023299 5C 3s 0.057092 0.023402 -0.021427 0.023064 0.045306 0.016453 5C 4s -0.036647 0.673957 -0.338022 0.068530 -0.188594 0.437455 5C 5s -2.402265 -4.386675 0.258816 -1.920680 -1.474982 -2.595011 5C 1pz -0.022058 0.008771 0.007737 0.014394 0.065673 0.019024 5C 1px 0.077263 0.010258 -0.027361 0.018467 0.043359 -0.003780 5C 1py -0.038584 -0.053178 0.036355 -0.071207 0.035790 0.039954 5C 2pz -0.274229 0.062639 -0.077152 -0.014116 0.101376 0.036609 5C 2px 0.269249 -0.060602 0.231851 0.132189 0.177222 -0.070351 5C 2py 0.059494 -0.056568 0.187705 0.009347 0.214290 0.059772 5C 3pz 1.344588 0.036446 0.009593 -0.048064 0.168777 0.532995 5C 3px 0.347787 -0.234063 0.665779 0.200955 0.161385 0.497910 5C 3py -1.036093 -0.139071 -0.599756 -0.173291 -1.627026 -1.131083 5C 1dz2 0.001099 -0.004027 -0.001350 -0.001844 0.002942 0.002718 5C 1dxz 0.006603 -0.004688 0.002207 0.001399 0.005404 0.002676 5C 1dyz -0.002886 -0.004217 0.005652 0.000756 0.000022 -0.007342 5C 1dx2y2 -0.011730 -0.001965 0.003765 -0.011291 -0.007314 0.004006 5C 1dxy -0.004950 -0.000627 -0.001619 -0.006231 -0.005664 0.001876 5C 2dz2 -0.024717 0.040989 -0.027346 -0.062811 0.004771 0.064863 5C 2dxz -0.056343 0.069062 0.090111 0.055841 0.011537 -0.027321 5C 2dyz 0.134629 0.026824 -0.004216 0.086370 0.048452 0.034511 5C 2dx2y2 -0.015243 -0.037449 0.049130 -0.004308 0.023820 0.023980 5C 2dxy -0.030567 0.034494 -0.116059 0.009415 0.010910 0.013128 5C 1f0 0.006998 0.000912 0.004159 0.003391 0.003096 -0.000566 5C 1f+1 -0.000450 0.003390 -0.003763 0.001297 0.000458 0.000352 5C 1f-1 0.003279 -0.000635 0.000620 -0.000168 -0.004574 -0.000023 5C 1f+2 -0.005753 0.004170 0.000626 0.001895 -0.001342 -0.000833 5C 1f-2 -0.006804 0.001105 -0.007518 -0.004782 -0.007831 0.001158 5C 1f+3 0.003900 -0.001092 -0.002865 -0.002108 0.002116 0.001587 5C 1f-3 -0.004485 -0.000629 -0.000515 -0.000200 -0.003575 -0.000243 6C 1s 0.008719 0.022287 0.010142 -0.008596 0.002081 0.012100 6C 2s 0.018755 0.047423 0.022325 -0.018225 0.004737 0.025844 6C 3s -0.057473 -0.024437 -0.027236 0.018966 -0.043301 -0.017872 6C 4s 0.018773 -0.663726 -0.327371 0.070980 0.218617 -0.484826 6C 5s 2.370087 4.425647 0.481222 -1.721740 1.583600 2.769990 6C 1pz -0.021841 0.009078 0.002973 -0.005774 0.065832 0.020436 6C 1px 0.077233 0.011063 0.031208 -0.016195 0.041018 -0.001025 6C 1py -0.037170 -0.054794 -0.031604 0.073021 0.032030 0.038351 6C 2pz -0.265701 0.060300 0.100553 0.035620 0.084949 0.045014 6C 2px 0.251406 -0.053832 -0.213250 -0.121215 0.216965 -0.076111 6C 2py 0.050365 -0.051964 -0.158159 0.009295 0.232222 0.051355 6C 3pz 1.346251 0.033018 -0.045528 0.007632 0.177887 0.562918 6C 3px 0.297624 -0.210186 -0.664125 -0.205451 0.255605 0.500447 6C 3py -1.018017 -0.153029 0.416424 0.053026 -1.683642 -1.187386 6C 1dz2 -0.001212 0.004031 -0.001786 -0.002013 -0.002476 -0.002644 6C 1dxz -0.006455 0.004565 0.001630 0.001064 -0.005640 -0.002575 6C 1dyz 0.003122 0.004192 0.005732 0.000748 -0.000872 0.007436 6C 1dx2y2 0.011485 0.002318 0.004299 -0.010803 0.007883 -0.003692 6C 1dxy 0.004742 0.000737 -0.000981 -0.005711 0.006480 -0.001936 6C 2dz2 0.021267 -0.039902 -0.031647 -0.065621 0.008118 -0.065741 6C 2dxz 0.062462 -0.072553 0.081808 0.049054 -0.026783 0.031500 6C 2dyz -0.131661 -0.029792 -0.007613 0.084881 -0.056269 -0.031083 6C 2dx2y2 0.016992 0.036465 0.046077 -0.006407 -0.028287 -0.020947 6C 2dxy 0.025593 -0.034150 -0.117045 0.007773 0.003516 -0.014798 6C 1f0 0.006668 0.001038 -0.003842 -0.003174 0.003913 -0.000695 6C 1f+1 -0.000323 0.003438 0.003938 -0.001138 0.000018 0.000401 6C 1f-1 0.003167 -0.000625 -0.001276 -0.000409 -0.004389 -0.000286 6C 1f+2 -0.005865 0.004268 -0.000562 -0.001682 -0.001133 -0.000786 6C 1f-2 -0.006300 0.000839 0.006447 0.004099 -0.009051 0.001626 6C 1f+3 0.004048 -0.001106 0.002998 0.002112 0.001430 0.001602 6C 1f-3 -0.004493 -0.000726 0.000018 -0.000075 -0.003544 -0.000210 7C 1s -0.012524 0.001175 -0.011203 0.006042 0.022549 0.000229 7C 2s -0.026398 0.002324 -0.024081 0.013142 0.048335 0.000265 7C 3s -0.018125 0.046938 0.028929 -0.023064 -0.077919 -0.013635 7C 4s 0.580514 -0.356212 0.214998 -0.046277 -0.431904 0.087516 7C 5s -1.728058 -0.810798 -2.483373 0.147015 5.900046 0.113133 7C 1pz 0.042266 0.010734 -0.038995 0.054416 0.032599 0.014851 7C 1px -0.052149 0.044736 -0.022021 0.005743 0.012432 0.012585 7C 1py -0.046681 -0.052521 -0.012326 0.000061 0.006399 -0.022207 7C 2pz 0.053228 0.136164 -0.025512 0.050474 -0.016160 0.032698 7C 2px -0.201407 0.277886 0.059602 0.170646 -0.207844 -0.049301 7C 2py -0.144284 -0.097654 -0.004115 0.002543 -0.097534 -0.152744 7C 3pz 1.000604 -1.407013 -0.938491 -1.083226 2.324042 -0.230286 7C 3px 0.562811 -0.695455 0.031956 0.154637 0.409561 -0.054794 7C 3py 1.002286 -0.044170 -0.400698 -0.296160 1.527892 0.302067 7C 1dz2 -0.007207 0.003735 0.009024 -0.000391 -0.011376 0.001764 7C 1dxz -0.010746 0.003420 0.005500 -0.003494 -0.000864 0.003924 7C 1dyz -0.000386 0.003398 0.002861 -0.002384 -0.008851 -0.002685 7C 1dx2y2 0.007522 -0.009476 -0.001621 0.001449 0.007190 0.005347 7C 1dxy 0.004551 -0.004560 -0.002035 0.000223 0.004007 0.000008 7C 2dz2 0.040790 -0.049760 0.044613 0.024612 0.053344 0.006805 7C 2dxz 0.075465 -0.056828 -0.043040 -0.095259 0.051614 -0.002676 7C 2dyz 0.050700 -0.019574 -0.108407 0.038935 0.120984 -0.002972 7C 2dx2y2 -0.023314 -0.073849 -0.010407 -0.016672 0.041809 0.017860 7C 2dxy -0.057060 -0.016832 0.022627 -0.013647 0.071562 0.060650 7C 1f0 0.003353 -0.000193 -0.000705 0.001182 0.002336 0.004139 7C 1f+1 0.001365 -0.005634 0.001413 0.001989 0.005669 0.002999 7C 1f-1 0.004512 -0.003531 0.000616 -0.001979 0.002934 0.001750 7C 1f+2 -0.001617 0.006533 0.001709 -0.002007 -0.002028 0.001936 7C 1f-2 0.001443 0.002699 0.001019 0.002939 -0.001839 0.001324 7C 1f+3 0.005234 -0.004865 -0.002120 -0.004053 0.003231 -0.000329 7C 1f-3 0.003783 -0.007479 -0.003208 -0.000354 0.008407 0.004257 8C 1s -0.007177 -0.030550 -0.005307 0.007494 -0.000787 -0.017971 8C 2s -0.014970 -0.063956 -0.011197 0.015638 -0.001437 -0.038306 8C 3s -0.006671 -0.090629 -0.002641 0.025333 0.005369 -0.024444 8C 4s 0.289859 1.779887 0.187045 -0.405626 0.014066 0.873509 8C 5s -3.032439 -5.851963 0.046334 1.656016 -2.343095 -4.264870 8C 1pz 0.042283 0.081792 0.011456 -0.159909 0.062241 -0.097795 8C 1px 0.029699 0.030003 0.010493 -0.061811 0.025480 -0.021872 8C 1py -0.022365 -0.011767 -0.015361 -0.048274 0.024010 -0.082293 8C 2pz 0.143321 0.334036 0.034173 -0.614962 0.287359 -0.357090 8C 2px 0.154619 0.129118 0.055557 -0.237056 0.120731 -0.058324 8C 2py -0.124654 -0.041501 -0.092230 -0.210200 0.066155 -0.391543 8C 3pz -0.101771 -0.064391 -0.057010 0.824158 0.186892 1.240368 8C 3px 0.024085 0.236125 0.038519 0.267200 0.189599 0.381655 8C 3py -1.024636 -0.630315 -0.001239 0.757472 -0.604916 -0.237786 8C 1dz2 -0.002234 -0.000703 -0.000397 0.000848 0.000083 0.000010 8C 1dxz -0.001929 -0.000258 -0.001040 0.003513 -0.001325 0.002894 8C 1dyz 0.000941 -0.002593 -0.001994 -0.003518 0.002599 -0.005148 8C 1dx2y2 -0.003394 -0.003529 -0.001471 0.007394 -0.001555 0.004104 8C 1dxy 0.000334 -0.004119 0.000212 0.004175 -0.000447 0.002387 8C 2dz2 -0.027716 0.029947 -0.018807 -0.004650 0.047845 0.017288 8C 2dxz -0.033069 0.015895 0.000333 -0.022961 0.029085 -0.028522 8C 2dyz 0.035472 0.015533 0.036603 0.035746 -0.040996 0.046744 8C 2dx2y2 -0.027507 0.022788 0.023967 -0.029513 0.064986 0.008290 8C 2dxy 0.018850 0.031394 -0.012629 -0.029826 0.016826 0.017395 8C 1f0 -0.001735 -0.011107 -0.001805 0.012803 -0.007160 0.003997 8C 1f+1 0.000254 -0.004758 0.001025 0.004602 -0.002189 0.000950 8C 1f-1 0.000281 -0.005309 -0.001704 -0.008067 0.006772 -0.010313 8C 1f+2 0.004024 0.019544 0.001320 -0.006701 -0.000379 0.008531 8C 1f-2 0.001058 0.014435 0.001270 -0.005204 -0.000060 0.005076 8C 1f+3 0.000197 -0.005247 0.000233 0.008840 -0.005033 0.006575 8C 1f-3 -0.001507 -0.000148 -0.003786 -0.000467 0.000153 -0.002172 9C 1s 0.021737 -0.006055 0.008759 -0.009189 -0.029130 0.002043 9C 2s 0.045569 -0.012778 0.018519 -0.019447 -0.061490 0.004432 9C 3s 0.077854 -0.031306 0.010171 -0.023424 -0.042170 0.006090 9C 4s -1.361121 0.407934 -0.365177 0.490029 1.412459 -0.126852 9C 5s 2.201332 0.783890 2.616030 -0.246253 -8.221091 0.405410 9C 1pz -0.018024 -0.015037 0.031901 0.020843 0.052493 0.066184 9C 1px -0.013315 -0.001720 0.055069 -0.006446 0.008393 0.044568 9C 1py 0.020122 0.018318 -0.137600 0.032973 0.038135 -0.115407 9C 2pz -0.033516 -0.081426 0.092849 0.082642 0.310667 0.248096 9C 2px -0.096999 0.015789 0.215434 -0.012700 0.051218 0.183262 9C 2py 0.111972 0.024302 -0.568323 0.100440 0.232162 -0.474495 9C 3pz 0.234627 -0.104486 -0.899240 -0.131934 1.399982 -0.285546 9C 3px 0.067244 0.116692 -0.591727 -0.152654 0.227899 -0.320804 9C 3py -0.002330 -0.854896 0.366535 -0.415766 0.950134 0.696785 9C 1dz2 -0.002610 0.003131 -0.003873 0.001586 0.001068 -0.002561 9C 1dxz 0.002156 0.002539 -0.005469 0.002220 -0.000711 -0.004883 9C 1dyz -0.004109 0.000305 0.000586 0.001239 0.002395 0.001613 9C 1dx2y2 0.000844 0.001625 -0.003009 -0.000352 -0.000454 -0.002674 9C 1dxy -0.002696 0.000441 0.004374 0.000756 -0.000358 0.003038 9C 2dz2 0.008823 0.057830 0.036136 0.031908 -0.031597 0.050785 9C 2dxz -0.001571 0.035335 0.040125 -0.025077 -0.036675 0.041469 9C 2dyz 0.012312 -0.036428 0.001346 -0.020661 -0.058983 -0.023989 9C 2dx2y2 0.017837 0.031011 0.011978 0.002580 0.008781 0.034169 9C 2dxy 0.028225 -0.006901 -0.020995 -0.010787 -0.029720 -0.016822 9C 1f0 0.004296 -0.001532 -0.007275 -0.002425 -0.005254 -0.008330 9C 1f+1 -0.000391 0.000805 0.006221 0.000314 -0.000231 0.006673 9C 1f-1 0.005536 -0.002516 0.001033 -0.001034 -0.002081 0.001706 9C 1f+2 -0.010831 0.003708 -0.006971 0.006450 0.010150 -0.004134 9C 1f-2 0.012158 -0.005173 -0.002322 -0.003385 -0.009493 -0.004151 9C 1f+3 -0.010183 0.003366 -0.010843 0.005840 0.012115 -0.009585 9C 1f-3 -0.003448 0.002002 0.004591 -0.000395 0.002347 0.004287 10H 1s -0.008510 0.007982 0.032839 -0.013152 0.032621 -0.008590 10H 2s -0.115470 0.074754 0.379001 -0.203101 0.340107 -0.156698 10H 3s 0.552257 -0.205301 -0.833643 0.243806 -0.932075 0.508365 10H 1pz -0.008898 0.001170 0.003276 -0.006447 0.012286 -0.000245 10H 1px 0.007960 -0.003458 -0.017541 0.007146 -0.014510 0.010984 10H 1py 0.002507 -0.004851 0.012188 -0.001154 0.004368 -0.012576 11H 1s -0.034956 -0.012503 -0.024724 0.000861 0.044952 0.044823 11H 2s -0.431125 0.082035 -0.466719 -0.034281 0.405974 0.691143 11H 3s 1.033541 0.179320 0.897025 0.032387 -1.217159 -1.262054 11H 1pz -0.018088 0.021604 -0.011931 -0.009033 0.008720 0.021503 11H 1px -0.017506 0.008338 -0.013506 -0.001066 0.012314 0.018902 11H 1py 0.014213 0.006318 0.015646 -0.002868 -0.013093 -0.016723 12H 1s -0.008760 0.018273 0.058094 -0.010176 0.034789 -0.031551 12H 2s -0.150562 0.139248 0.687717 -0.101843 0.275783 -0.559057 12H 3s 0.762241 -0.590823 -1.380108 0.287384 -0.896002 1.200672 12H 1pz -0.003834 -0.008118 -0.011878 0.003609 -0.006139 0.004616 12H 1px -0.010250 0.003305 0.006353 -0.000330 0.005619 -0.006262 12H 1py -0.014330 0.000636 0.029263 -0.002674 0.011306 -0.031353 13H 1s 0.015220 0.036833 -0.007200 0.026068 0.003699 0.006128 13H 2s 0.069048 0.430522 -0.035401 0.315181 0.027761 0.036018 13H 3s -0.096540 -1.443544 -0.119272 -0.683189 -0.155096 -0.095876 13H 1pz -0.004454 0.023455 0.004059 0.019872 0.006150 -0.005080 13H 1px -0.004708 -0.013956 -0.000473 -0.005331 -0.000528 -0.004994 13H 1py 0.004152 -0.008375 -0.001330 0.001767 0.003042 -0.007359 14H 1s 0.034623 0.046542 -0.015216 0.057820 0.009463 -0.011426 14H 2s 0.259388 0.573548 -0.136063 0.776463 0.224948 -0.231879 14H 3s -0.868639 -1.474094 0.132980 -1.548192 -0.447650 0.354974 14H 1pz -0.000542 0.020207 0.002701 0.024180 0.012779 -0.009249 14H 1px 0.005490 0.029307 -0.003724 0.028070 0.011375 -0.005200 14H 1py 0.007159 0.004630 -0.002944 0.010984 -0.003333 -0.005247 15H 1s -0.001055 0.015683 -0.010021 -0.038982 -0.003901 0.066268 15H 2s 0.044282 0.072703 -0.158325 -0.614869 -0.266653 0.795605 15H 3s 0.215508 -0.613942 0.073260 1.189658 0.251137 -1.816419 15H 1pz 0.005559 -0.006200 0.001694 0.024600 0.004796 -0.029929 15H 1px 0.003151 0.004099 -0.004611 0.000051 -0.005074 0.002708 15H 1py -0.012619 -0.007144 0.009300 0.017823 0.020489 -0.022423 16H 1s -0.019693 -0.000983 0.028793 -0.000320 -0.008071 0.007285 16H 2s -0.358065 0.088838 0.377214 0.103081 -0.301637 0.069387 16H 3s 0.491071 -0.227622 -0.315406 0.005459 0.284730 0.003556 16H 1pz -0.028071 0.013587 0.015137 0.004247 -0.028481 -0.000668 16H 1px 0.017194 -0.007852 -0.006860 -0.008092 0.015187 0.001021 16H 1py -0.002752 -0.003564 0.008134 0.006864 -0.002671 0.003259 17H 1s 0.025196 -0.029475 0.013804 0.032675 0.016285 0.013311 17H 2s 0.401911 -0.336328 0.291909 0.389329 0.255350 0.193885 17H 3s -0.432065 0.433337 -0.114818 -0.348619 -0.358011 -0.181731 17H 1pz -0.015077 0.005110 -0.001905 -0.007011 -0.007381 -0.002407 17H 1px -0.029478 0.018214 -0.015879 -0.013176 -0.023142 -0.010116 17H 1py 0.003891 -0.003654 0.013667 0.010335 0.002509 0.004864 18H 1s -0.023811 0.028354 0.013185 0.032361 -0.021178 -0.011577 18H 2s -0.372558 0.317887 0.276250 0.380538 -0.328392 -0.167785 18H 3s 0.415587 -0.423745 -0.090616 -0.338990 0.403846 0.163275 18H 1pz -0.014954 0.004974 0.001892 0.006979 -0.008646 -0.002212 18H 1px -0.027721 0.017429 0.013980 0.012106 -0.026240 -0.008936 18H 1py 0.001999 -0.002664 -0.013207 -0.009919 0.004758 0.003817 19H 1s 0.021511 -0.000152 0.028251 -0.001135 0.004769 -0.005707 19H 2s 0.382823 -0.107317 0.393764 0.107953 0.245937 -0.048265 19H 3s -0.508190 0.235734 -0.321940 0.009445 -0.245503 -0.013882 19H 1pz -0.028636 0.014357 -0.017246 -0.005245 -0.025893 -0.001313 19H 1px 0.017810 -0.008291 0.008213 0.008760 0.013618 0.001367 19H 1py -0.003855 -0.002640 -0.008472 -0.006981 -0.001666 0.002452 20H 1s -0.000633 -0.015179 -0.011430 -0.038958 0.010453 -0.065657 20H 2s -0.067603 -0.063063 -0.142236 -0.585633 0.358605 -0.779029 20H 3s -0.175752 0.604212 0.097029 1.180628 -0.418221 1.814227 20H 1pz 0.004667 -0.005755 -0.002063 -0.024390 0.008104 -0.029799 20H 1px 0.003270 0.004164 0.003970 -0.000386 -0.005655 0.002617 20H 1py -0.013358 -0.006772 -0.006627 -0.015283 0.023199 -0.021985 21H 1s -0.033236 -0.048028 -0.015299 0.056859 -0.013595 0.010483 21H 2s -0.239028 -0.592623 -0.156393 0.746283 -0.285119 0.225521 21H 3s 0.826448 1.510293 0.155135 -1.498575 0.587062 -0.293396 21H 1pz -0.001316 0.021041 -0.000941 -0.022336 0.015322 -0.008618 21H 1px 0.004711 0.029811 0.005249 -0.026053 0.013402 -0.004726 21H 1py 0.006915 0.004945 0.002038 -0.011608 -0.002291 -0.005064 22H 1s -0.015032 -0.037248 -0.007436 0.024817 -0.005491 -0.008089 22H 2s -0.066362 -0.436569 -0.038173 0.297631 -0.054020 -0.064153 22H 3s 0.090086 1.449312 -0.096270 -0.618849 0.239100 0.197141 22H 1pz -0.004977 0.023840 -0.003043 -0.018215 0.008422 -0.003727 22H 1px -0.004723 -0.014092 0.000568 0.005070 -0.001174 -0.006139 22H 1py 0.003974 -0.008493 0.001459 -0.001809 0.003251 -0.007986 23H 1s 0.009620 -0.018534 0.052112 -0.014935 -0.041793 0.029735 23H 2s 0.159570 -0.142321 0.637978 -0.143692 -0.361685 0.529609 23H 3s -0.757337 0.582650 -1.205162 0.431862 1.060638 -1.107858 23H 1pz -0.003696 -0.008293 0.010979 -0.004478 -0.007620 0.003946 23H 1px -0.010171 0.003102 -0.004894 0.001204 0.006233 -0.005727 23H 1py -0.014769 0.000702 -0.027053 0.004522 0.015146 -0.029667 24H 1s 0.034998 0.013283 -0.030543 -0.004131 -0.040451 -0.039086 24H 2s 0.426191 -0.068303 -0.520477 -0.085487 -0.326950 -0.616532 24H 3s -1.010654 -0.216251 1.050303 0.165056 1.065625 1.128273 24H 1pz -0.017493 0.020736 0.013788 0.010859 0.005919 0.019952 24H 1px -0.017565 0.007848 0.015730 0.002902 0.010309 0.017402 24H 1py 0.013706 0.006753 -0.017082 0.001468 -0.010697 -0.014502 25H 1s 0.009501 -0.007470 0.026901 -0.017112 -0.035114 0.008643 25H 2s 0.122809 -0.070028 0.314189 -0.247696 -0.363726 0.150978 25H 3s -0.569745 0.186467 -0.645002 0.365490 1.008016 -0.454732 25H 1pz -0.008729 0.001025 -0.001080 0.008259 0.011855 -0.000254 25H 1px 0.008065 -0.003175 0.014777 -0.009105 -0.015918 0.010365 25H 1py 0.002454 -0.004662 -0.011356 0.001451 0.005748 -0.011497 26O 1s -0.006094 0.000350 0.003478 -0.000408 0.001002 0.000493 26O 2s -0.013569 0.000329 0.007958 -0.000216 0.002198 0.001346 26O 3s -0.000298 0.010544 -0.003296 -0.014138 0.000128 -0.006170 26O 4s 0.148838 -0.024298 -0.114203 0.085676 -0.084154 -0.000360 26O 5s -0.439773 -0.185964 0.508960 -0.100024 0.802930 0.239142 26O 1pz -0.033299 0.027451 -0.064895 -0.017552 -0.033435 -0.006469 26O 1px -0.025777 -0.021610 0.055116 -0.012996 0.089055 0.025541 26O 1py 0.020307 -0.019760 0.047298 0.006717 0.016068 -0.017849 26O 2pz -0.038270 0.021865 -0.076301 -0.009239 -0.054022 -0.038707 26O 2px -0.045747 0.000250 0.061956 -0.020888 0.072218 0.002767 26O 2py 0.048822 0.006634 0.050145 -0.005122 0.000300 -0.029025 26O 3pz 0.045265 0.080120 -0.035389 -0.169052 0.018850 0.134251 26O 3px 0.001003 0.293554 -0.298435 -0.179131 -0.301930 -0.171721 26O 3py -0.171969 0.064045 -0.169868 -0.139680 -0.109146 -0.031451 26O 1dz2 0.002555 -0.002444 0.000259 0.001596 0.001409 0.000882 26O 1dxz -0.000773 -0.000673 0.002216 0.001572 0.001393 0.000599 26O 1dyz -0.002059 0.000767 -0.000141 0.001195 0.000016 -0.000176 26O 1dx2y2 -0.001723 0.000829 0.000161 -0.000387 -0.001619 -0.001635 26O 1dxy -0.005699 0.005172 -0.000814 -0.001579 -0.001214 -0.000124 26O 2dz2 -0.009862 0.015838 -0.010905 -0.004203 -0.021194 -0.002434 26O 2dxz -0.013612 0.003642 -0.005576 0.006265 -0.004678 0.002969 26O 2dyz -0.002913 -0.002832 -0.004282 -0.006399 0.008675 -0.002006 26O 2dx2y2 0.004031 -0.015790 0.013944 0.004683 0.029438 0.013891 26O 2dxy 0.001918 -0.006796 0.017815 0.003081 0.022958 0.001287 26O 1f0 -0.001279 0.000286 -0.000597 0.000610 -0.000852 0.000294 26O 1f+1 0.001491 -0.001724 0.000786 0.000397 0.001423 0.000641 26O 1f-1 0.000893 -0.000566 -0.000249 -0.000009 -0.000222 -0.000086 26O 1f+2 0.000182 -0.000576 0.000843 -0.000351 0.001146 -0.000088 26O 1f-2 0.000646 -0.000034 0.000160 -0.000666 -0.000153 -0.000305 26O 1f+3 -0.000126 -0.000189 0.000524 -0.000401 0.000923 0.000628 26O 1f-3 0.001365 -0.001390 0.001022 0.000672 0.001841 0.000577 27O 1s 0.003644 0.004629 -0.002854 -0.000756 0.001093 -0.001105 27O 2s 0.007737 0.010370 -0.006544 -0.002548 0.002056 -0.002671 27O 3s 0.007966 -0.001206 0.005005 0.019467 0.007011 0.003741 27O 4s -0.153575 -0.149047 0.083765 -0.104331 -0.076716 0.008535 27O 5s 0.293756 0.851970 -0.655098 0.454880 0.134736 0.164720 27O 1pz -0.060381 -0.001570 0.049439 0.024770 -0.009376 -0.017077 27O 1px 0.072132 0.057354 -0.031192 0.073911 0.038954 0.016446 27O 1py 0.000041 0.031474 -0.019761 0.031222 0.012883 -0.008259 27O 2pz -0.079301 0.001921 0.067457 0.033323 -0.027485 -0.023562 27O 2px 0.090087 0.055405 -0.000233 0.108514 0.043426 0.006785 27O 2py 0.010713 0.047522 -0.054606 0.030503 -0.001479 0.006252 27O 3pz 0.047307 -0.062770 -0.142520 0.004899 0.044431 0.049736 27O 3px 0.129898 -0.288319 0.283832 -0.076824 0.053823 0.002955 27O 3py -0.038547 0.052195 0.108378 -0.073620 0.071544 -0.073326 27O 1dz2 -0.001145 -0.001198 -0.000010 -0.000006 0.000631 -0.000238 27O 1dxz 0.003623 -0.001110 -0.002996 -0.001529 -0.000556 0.000541 27O 1dyz -0.000464 -0.000395 0.000301 0.001690 0.000413 0.000284 27O 1dx2y2 0.003080 -0.000071 0.000704 0.000987 0.000587 0.000265 27O 1dxy -0.000031 -0.001946 0.001090 0.000175 -0.000441 -0.001370 27O 2dz2 -0.014510 -0.008024 0.010775 -0.007556 -0.005776 -0.006976 27O 2dxz -0.006189 0.001188 0.001534 -0.000065 -0.003857 -0.008463 27O 2dyz 0.001406 -0.008624 -0.004152 -0.009631 -0.002102 0.000302 27O 2dx2y2 0.007771 0.023160 -0.025274 0.008754 0.005525 0.000595 27O 2dxy 0.006794 -0.008498 0.006651 0.007310 0.001934 -0.004553 27O 1f0 -0.000832 0.000844 0.000209 -0.000183 -0.000524 -0.000412 27O 1f+1 0.000319 0.000403 -0.001287 -0.000102 -0.000016 0.000063 27O 1f-1 0.000547 -0.000313 0.000161 0.000228 0.000580 0.000280 27O 1f+2 0.002123 0.000096 -0.000767 0.000242 0.000836 0.000763 27O 1f-2 -0.000152 0.001301 -0.000016 0.000334 -0.000158 0.000043 27O 1f+3 -0.000533 0.000596 -0.001272 0.000416 0.000450 0.000058 27O 1f-3 0.000866 0.000394 0.000587 0.001202 0.000339 -0.000647 28O 1s -0.000435 -0.001753 -0.001588 -0.001616 0.002102 0.000505 28O 2s -0.001337 -0.003853 -0.004242 -0.003241 0.003618 0.000995 28O 3s 0.007984 -0.000308 0.015770 -0.004847 0.019737 0.001673 28O 4s -0.035452 0.062452 -0.053513 0.095898 -0.177552 -0.022965 28O 5s -0.240002 -0.057430 0.296695 -0.713367 0.587519 0.079217 28O 1pz 0.040077 -0.009646 0.037556 0.010819 -0.000489 -0.000069 28O 1px -0.013130 0.034121 -0.051656 0.044792 -0.081897 -0.005935 28O 1py -0.041150 0.017566 -0.035706 0.004416 -0.035362 -0.032068 28O 2pz 0.075612 -0.029657 0.062078 0.050068 -0.013573 -0.010108 28O 2px -0.007479 0.021109 -0.071454 0.038744 -0.103649 -0.007045 28O 2py -0.067286 0.044257 -0.045324 0.016617 -0.059459 -0.055066 28O 3pz 0.007121 0.120337 -0.091612 0.008290 0.112318 0.088889 28O 3px -0.280518 0.173553 0.015720 -0.309690 0.029351 0.002633 28O 3py 0.197422 -0.142396 0.148447 -0.083585 0.121159 0.042025 28O 1dz2 -0.001332 -0.000238 -0.002591 -0.001502 0.001762 0.000954 28O 1dxz 0.000765 -0.000135 -0.000457 -0.000753 -0.002075 -0.000205 28O 1dyz -0.000082 0.001140 0.000496 -0.000153 -0.000230 -0.000190 28O 1dx2y2 0.000701 -0.000238 0.001249 0.001169 0.000504 0.000103 28O 1dxy -0.002206 -0.000800 -0.003022 0.000679 -0.001031 0.000189 28O 2dz2 -0.006191 0.006403 -0.005076 -0.004979 -0.008766 -0.006140 28O 2dxz 0.000631 0.008845 -0.006349 0.015686 -0.011647 0.001520 28O 2dyz -0.000402 -0.003603 0.003036 0.004073 0.004160 0.000833 28O 2dx2y2 -0.003798 0.004519 0.010840 -0.016366 0.012228 -0.001091 28O 2dxy 0.001821 -0.008637 0.007192 0.003926 0.008336 0.001003 28O 1f0 0.000260 -0.000998 -0.000088 -0.000546 0.001011 0.000422 28O 1f+1 -0.001067 0.000517 -0.000792 -0.000495 -0.001254 -0.000403 28O 1f-1 0.000362 -0.000039 0.000022 0.000026 -0.000481 -0.000219 28O 1f+2 -0.000409 0.000105 -0.000469 0.001028 -0.000482 0.000161 28O 1f-2 -0.000712 0.000421 -0.000817 0.000235 -0.000779 -0.000068 28O 1f+3 -0.000549 0.000445 -0.000801 0.000762 -0.000980 -0.000108 28O 1f-3 0.000439 0.000056 -0.000444 0.000084 -0.000202 0.000086 29O 1s -0.001276 -0.006375 0.011135 0.008300 0.000521 0.005176 29O 2s -0.002979 -0.014466 0.024919 0.018508 0.000992 0.011923 29O 3s 0.003157 0.005117 -0.001836 -0.000488 0.002712 -0.007050 29O 4s 0.023796 0.148273 -0.256949 -0.196529 -0.039380 -0.096919 29O 5s -0.034580 -0.047898 -0.053392 -0.021129 0.116003 -0.055679 29O 1pz -0.050267 0.043623 0.032879 -0.029634 -0.007689 -0.004890 29O 1px -0.009706 0.041080 -0.019079 -0.034703 -0.010090 -0.021418 29O 1py 0.013930 -0.014946 -0.025041 -0.011476 0.026573 -0.014873 29O 2pz -0.140011 0.103772 0.077310 -0.063575 -0.047440 -0.011472 29O 2px -0.019495 0.096783 -0.057753 -0.085979 -0.023966 -0.058337 29O 2py 0.039815 -0.029105 -0.057225 -0.028456 0.055828 -0.031340 29O 3pz -0.119340 0.003369 -0.082150 0.031610 -0.218484 -0.037839 29O 3px -0.165351 -0.108533 0.045343 0.066276 -0.058412 0.088075 29O 3py -0.032168 -0.056676 0.390962 0.273384 -0.115266 0.172574 29O 1dz2 -0.001789 0.000084 0.002219 0.000449 -0.001981 0.000516 29O 1dxz 0.002378 -0.001336 0.001375 0.002211 0.001592 0.000705 29O 1dyz -0.005023 0.002346 0.000200 -0.001518 -0.004458 -0.000813 29O 1dx2y2 0.000444 -0.000304 -0.000788 -0.000147 0.000690 -0.000258 29O 1dxy -0.002810 0.001035 -0.001129 -0.001510 -0.001539 -0.000846 29O 2dz2 0.018553 -0.013675 0.000857 0.003588 0.018694 0.004241 29O 2dxz -0.026180 0.013832 0.002327 0.000427 -0.019216 -0.003340 29O 2dyz 0.015460 -0.004724 -0.003623 -0.000741 0.013349 0.002582 29O 2dx2y2 -0.011763 0.008844 -0.002884 -0.003863 -0.010076 -0.002188 29O 2dxy 0.004506 -0.003013 0.013642 0.010892 0.004821 0.004367 29O 1f0 -0.001108 0.000185 0.001911 0.001053 -0.000970 0.000467 29O 1f+1 -0.001558 0.001245 -0.000651 -0.000805 -0.001130 -0.000518 29O 1f-1 -0.001652 0.000495 0.002140 0.001284 -0.001569 0.000357 29O 1f+2 0.001286 -0.000509 -0.000780 -0.000574 0.001158 -0.000059 29O 1f-2 0.002476 -0.001797 0.001262 0.001407 0.001797 0.000778 29O 1f+3 -0.001166 0.000955 -0.000783 -0.000707 -0.000820 -0.000394 29O 1f-3 -0.001363 0.000864 -0.000543 -0.000670 -0.000750 -0.000420 30O 1s -0.001550 0.005047 0.001998 0.003672 -0.000126 -0.000974 30O 2s -0.003102 0.010912 0.005670 0.008289 0.000105 -0.002600 30O 3s -0.007970 0.006518 -0.026028 -0.002166 -0.008122 0.008012 30O 4s 0.030839 -0.178499 0.058409 -0.128512 0.006375 -0.003980 30O 5s 0.384039 0.597195 0.147479 0.604041 0.188725 0.096775 30O 1pz 0.017525 -0.002988 -0.014375 0.000408 0.026325 0.009436 30O 1px -0.061550 -0.057870 -0.005918 -0.080212 -0.026804 -0.013191 30O 1py 0.045416 -0.016802 0.006188 0.003033 0.013445 0.007562 30O 2pz 0.032653 -0.024052 -0.034162 -0.006749 0.022923 0.013093 30O 2px -0.050211 -0.086503 0.021379 -0.094237 -0.008201 -0.019860 30O 2py 0.108577 -0.019987 0.019024 0.013322 0.021305 0.020810 30O 3pz -0.386376 0.100721 -0.306364 -0.099401 -0.105794 -0.000701 30O 3px 0.311608 0.183575 0.246966 0.364128 0.106621 -0.093326 30O 3py -0.047539 0.081477 0.390061 0.254727 0.142140 -0.168184 30O 1dz2 0.002154 0.000264 0.001172 0.003064 0.000485 -0.001383 30O 1dxz 0.003228 -0.002864 0.003316 -0.000439 0.003010 0.000226 30O 1dyz 0.002291 -0.002204 0.000252 0.000313 0.002037 -0.001174 30O 1dx2y2 -0.000991 -0.000386 -0.002356 -0.000962 0.000097 -0.000631 30O 1dxy -0.002513 0.001593 -0.003000 -0.001978 -0.001791 0.002286 30O 2dz2 -0.016642 -0.002749 0.007351 -0.006021 -0.010409 -0.002082 30O 2dxz -0.031800 -0.002190 -0.009843 -0.017156 -0.011991 0.000278 30O 2dyz -0.003423 -0.007276 -0.002925 -0.001909 -0.007896 -0.003256 30O 2dx2y2 0.013518 0.008600 0.002129 0.012469 0.007234 0.002218 30O 2dxy 0.010382 0.005605 0.019722 0.016677 0.011421 -0.000614 30O 1f0 0.001679 0.000282 0.000924 0.001199 0.001012 0.000006 30O 1f+1 -0.000492 -0.000000 0.000922 -0.000171 -0.000667 -0.000330 30O 1f-1 -0.000575 0.000164 0.000523 -0.000595 -0.000088 0.000340 30O 1f+2 -0.001089 0.000219 0.000525 -0.000590 -0.000663 0.000081 30O 1f-2 -0.001449 0.000355 -0.001316 -0.000488 -0.000688 0.000302 30O 1f+3 -0.000298 -0.001014 0.000838 -0.000606 0.000066 -0.000166 30O 1f-3 -0.001758 0.000594 -0.000474 -0.000597 -0.001433 -0.000410 31O 1s 0.001857 -0.005164 0.001768 0.003380 -0.000367 0.001109 31O 2s 0.003862 -0.011187 0.005085 0.007595 -0.001348 0.002922 31O 3s 0.006350 -0.006158 -0.024517 -0.001297 0.011170 -0.008641 31O 4s -0.033484 0.181293 0.061270 -0.121656 -0.002860 0.002215 31O 5s -0.356336 -0.617443 0.112861 0.570048 -0.260969 -0.083832 31O 1pz 0.019357 -0.004019 0.016427 0.001516 0.025355 0.012507 31O 1px -0.058494 -0.060555 0.001363 0.076492 -0.034646 -0.013489 31O 1py 0.043786 -0.016010 -0.006678 -0.003861 0.014826 0.007062 31O 2pz 0.035613 -0.025702 0.032595 0.006659 0.019652 0.018497 31O 2px -0.047761 -0.089512 -0.024402 0.091261 -0.014089 -0.020917 31O 2py 0.105543 -0.018154 -0.020032 -0.015655 0.025766 0.017407 31O 3pz -0.361535 0.091203 0.307991 0.100983 -0.151266 0.004284 31O 3px 0.283082 0.201197 -0.227911 -0.351013 0.169170 -0.117385 31O 3py -0.078732 0.093157 -0.360097 -0.227524 0.207599 -0.171006 31O 1dz2 -0.001941 -0.000410 0.001170 0.003075 -0.000931 0.001571 31O 1dxz -0.003068 0.002810 0.003041 -0.000574 -0.003309 -0.000099 31O 1dyz -0.002276 0.002199 0.000082 0.000228 -0.002095 0.001216 31O 1dx2y2 0.000820 0.000466 -0.002338 -0.000970 0.000272 0.000409 31O 1dxy 0.002280 -0.001497 -0.002843 -0.001894 0.002359 -0.002408 31O 2dz2 0.016834 0.002750 0.008248 -0.005559 0.010283 0.002437 31O 2dxz 0.030651 0.002820 -0.009004 -0.016600 0.014918 -0.000421 31O 2dyz 0.003574 0.007212 -0.001573 -0.000722 0.008172 0.003584 31O 2dx2y2 -0.012895 -0.009160 0.001048 0.011562 -0.008292 -0.001958 31O 2dxy -0.008736 -0.006459 0.017799 0.015160 -0.015113 0.001371 31O 1f0 0.001578 0.000336 -0.000812 -0.001118 0.001227 -0.000036 31O 1f+1 -0.000539 0.000024 -0.000985 0.000128 -0.000579 -0.000364 31O 1f-1 -0.000591 0.000158 -0.000488 0.000621 -0.000111 0.000327 31O 1f+2 -0.001097 0.000193 -0.000585 0.000557 -0.000642 0.000077 31O 1f-2 -0.001361 0.000316 0.001246 0.000452 -0.000884 0.000355 31O 1f+3 -0.000316 -0.001028 -0.000835 0.000584 0.000128 -0.000206 31O 1f-3 -0.001706 0.000555 0.000321 0.000509 -0.001519 -0.000375 32O 1s 0.002200 0.005765 0.010922 0.008096 -0.002604 -0.004360 32O 2s 0.005053 0.013090 0.024471 0.018070 -0.005637 -0.010080 32O 3s -0.003486 -0.004815 -0.002264 -0.000746 -0.002641 0.006672 32O 4s -0.044061 -0.135224 -0.247766 -0.189095 0.088395 0.078375 32O 5s 0.028099 0.053437 -0.070841 -0.031972 -0.106638 0.054594 32O 1pz -0.052329 0.044249 -0.030582 0.032670 -0.007115 -0.004781 32O 1px -0.007404 0.039613 0.018538 0.034513 -0.015520 -0.019457 32O 1py 0.015597 -0.015471 0.027471 0.014198 0.022297 -0.014145 32O 2pz -0.144489 0.105331 -0.075187 0.068414 -0.045245 -0.011435 32O 2px -0.012607 0.092426 0.056122 0.085284 -0.038315 -0.052480 32O 2py 0.042997 -0.029937 0.061635 0.033976 0.045440 -0.029682 32O 3pz -0.112070 0.006294 0.064851 -0.044804 -0.225115 -0.041348 32O 3px -0.170591 -0.104701 -0.044903 -0.066736 -0.048453 0.082599 32O 3py -0.072239 -0.034359 -0.400855 -0.280325 -0.048254 0.148876 32O 1dz2 0.001691 -0.000081 0.002351 0.000588 0.001463 -0.000427 32O 1dxz -0.002353 0.001293 0.001266 0.002174 -0.002072 -0.000606 32O 1dyz 0.005034 -0.002367 0.000617 -0.001302 0.004626 0.000784 32O 1dx2y2 -0.000649 0.000410 -0.000851 -0.000137 -0.000706 0.000217 32O 1dxy 0.002625 -0.000918 -0.001039 -0.001396 0.001765 0.000720 32O 2dz2 -0.017195 0.013191 -0.000668 0.002803 -0.018179 -0.003777 32O 2dxz 0.026475 -0.014123 0.003372 0.000780 0.019233 0.003337 32O 2dyz -0.015807 0.005242 -0.004760 -0.001380 -0.013243 -0.002819 32O 2dx2y2 0.011865 -0.009057 -0.002203 -0.003509 0.011252 0.002152 32O 2dxy -0.002423 0.001920 0.012992 0.010396 -0.006797 -0.003309 32O 1f0 -0.001181 0.000277 -0.001825 -0.000985 -0.000592 0.000331 32O 1f+1 -0.001516 0.001244 0.000648 0.000843 -0.001322 -0.000480 32O 1f-1 -0.001803 0.000593 -0.002306 -0.001360 -0.001159 0.000256 32O 1f+2 0.001352 -0.000542 0.000975 0.000691 0.001001 -0.000037 32O 1f-2 0.002346 -0.001712 -0.001083 -0.001300 0.002080 0.000655 32O 1f+3 -0.000995 0.000854 0.000681 0.000619 -0.000904 -0.000301 32O 1f-3 -0.001350 0.000852 0.000473 0.000632 -0.000922 -0.000377 33O 1s 0.000297 0.001894 -0.002064 -0.001880 -0.001765 -0.000829 33O 2s 0.001016 0.004191 -0.005186 -0.003741 -0.002839 -0.001777 33O 3s -0.007553 -0.000274 0.013592 -0.006490 -0.020770 -0.000474 33O 4s 0.036707 -0.064262 -0.026122 0.112964 0.172823 0.026212 33O 5s 0.232619 0.077376 0.195763 -0.784716 -0.543722 -0.080951 33O 1pz 0.036737 -0.008030 -0.038665 -0.012229 0.004916 -0.001419 33O 1px -0.012088 0.035787 0.038984 -0.052487 -0.083282 -0.006137 33O 1py -0.038698 0.016764 0.032199 -0.006064 -0.039304 -0.030174 33O 2pz 0.070145 -0.025831 -0.065530 -0.054011 -0.000674 -0.011117 33O 2px -0.005789 0.022712 0.054594 -0.049560 -0.107913 -0.006128 33O 2py -0.064085 0.043224 0.040577 -0.018512 -0.063488 -0.051609 33O 3pz 0.006245 0.121570 0.100091 0.003276 0.094755 0.071062 33O 3px -0.273195 0.159386 0.004543 0.326711 -0.000109 0.002750 33O 3py 0.190495 -0.138313 -0.147667 0.080997 0.131300 0.033623 33O 1dz2 0.001154 0.000370 -0.002819 -0.001679 -0.001241 -0.000871 33O 1dxz -0.000850 0.000165 -0.000100 -0.000466 0.002144 0.000029 33O 1dyz 0.000096 -0.001143 0.000495 -0.000175 0.000144 0.000092 33O 1dx2y2 -0.000637 0.000168 0.001151 0.001099 -0.000776 -0.000104 33O 1dxy 0.002060 0.000844 -0.002932 0.000728 0.001366 -0.000241 33O 2dz2 0.005545 -0.006160 -0.003968 -0.004548 0.009708 0.005191 33O 2dxz -0.000699 -0.009505 -0.004548 0.016590 0.010749 -0.001540 33O 2dyz 0.001023 0.003322 0.002447 0.003617 -0.004589 -0.000255 33O 2dx2y2 0.003814 -0.004029 0.008503 -0.017922 -0.011967 0.000687 33O 2dxy -0.001465 0.008377 0.006292 0.003367 -0.009565 -0.000519 33O 1f0 0.000264 -0.001028 0.000198 0.000598 0.000932 0.000369 33O 1f+1 -0.001014 0.000484 0.000626 0.000407 -0.001387 -0.000365 33O 1f-1 0.000349 -0.000036 -0.000131 -0.000095 -0.000472 -0.000230 33O 1f+2 -0.000403 0.000145 0.000418 -0.001049 -0.000441 0.000170 33O 1f-2 -0.000695 0.000412 0.000728 -0.000282 -0.000858 -0.000059 33O 1f+3 -0.000532 0.000469 0.000673 -0.000829 -0.001010 -0.000097 33O 1f-3 0.000449 0.000053 0.000390 -0.000121 -0.000249 0.000090 34O 1s -0.003944 -0.004535 -0.003038 -0.000891 -0.000709 0.000606 34O 2s -0.008466 -0.010136 -0.006926 -0.002813 -0.001110 0.001466 34O 3s -0.006576 0.000645 0.004538 0.018787 -0.009225 -0.001961 34O 4s 0.155323 0.150061 0.092829 -0.095479 0.075607 -0.003034 34O 5s -0.306386 -0.857573 -0.683670 0.421449 -0.086278 -0.173463 34O 1pz -0.063918 0.000716 -0.048403 -0.023342 -0.000885 -0.019347 34O 1px 0.070232 0.059837 0.036179 -0.069857 0.041005 0.018801 34O 1py 0.000437 0.032208 0.022579 -0.028572 0.013633 -0.009361 34O 2pz -0.083876 0.004807 -0.068067 -0.032729 -0.015303 -0.026980 34O 2px 0.085758 0.058655 0.005411 -0.103830 0.053335 0.008176 34O 2py 0.012277 0.048414 0.055842 -0.029239 -0.005006 0.003478 34O 3pz 0.049641 -0.062761 0.144816 -0.004362 0.022417 0.050557 34O 3px 0.113749 -0.285499 -0.286460 0.066969 0.082244 0.001475 34O 3py -0.033197 0.046010 -0.096437 0.084070 0.078496 -0.056052 34O 1dz2 0.001130 0.001186 -0.000070 -0.000057 -0.000612 0.000322 34O 1dxz -0.003819 0.001229 -0.002691 -0.001264 0.001005 -0.000639 34O 1dyz 0.000577 0.000294 0.000215 0.001611 -0.000577 -0.000159 34O 1dx2y2 -0.002991 0.000057 0.000710 0.001016 -0.000806 -0.000351 34O 1dxy 0.000100 0.001953 0.001226 0.000275 0.000252 0.001355 34O 2dz2 0.014627 0.008332 0.011147 -0.007252 0.005115 0.007561 34O 2dxz 0.006211 -0.001075 0.002123 0.000289 0.003444 0.008477 34O 2dyz -0.002194 0.009088 -0.003587 -0.009100 0.003343 -0.000209 34O 2dx2y2 -0.008763 -0.023105 -0.026080 0.007737 -0.002907 -0.001656 34O 2dxy -0.006324 0.008393 0.006787 0.007487 -0.003791 0.005231 34O 1f0 -0.000825 0.000830 -0.000224 0.000183 -0.000513 -0.000433 34O 1f+1 0.000387 0.000391 0.001261 0.000089 -0.000186 0.000102 34O 1f-1 0.000535 -0.000303 -0.000095 -0.000193 0.000611 0.000263 34O 1f+2 0.002161 0.000093 0.000822 -0.000220 0.000757 0.000795 34O 1f-2 -0.000152 0.001300 0.000044 -0.000298 -0.000130 0.000056 34O 1f+3 -0.000489 0.000617 0.001358 -0.000334 0.000294 0.000086 34O 1f-3 0.000789 0.000436 -0.000560 -0.001166 0.000532 -0.000646 35O 1s 0.006182 -0.000433 0.002928 -0.000857 -0.001325 -0.000539 35O 2s 0.013800 -0.000539 0.006725 -0.001228 -0.002998 -0.001438 35O 3s -0.000356 -0.009990 -0.003091 -0.013902 0.001390 0.005864 35O 4s -0.149555 0.024193 -0.092527 0.101340 0.088952 0.001188 35O 5s 0.455023 0.182903 0.368308 -0.197692 -0.850287 -0.214774 35O 1pz -0.028891 0.025475 0.060617 0.015851 -0.042515 -0.004689 35O 1px -0.027061 -0.022138 -0.039833 0.023281 0.094445 0.024056 35O 1py 0.018062 -0.019131 -0.046591 -0.006043 0.023001 -0.016198 35O 2pz -0.033438 0.020123 0.069371 0.005545 -0.063271 -0.034543 35O 2px -0.047295 -0.000497 -0.047497 0.030645 0.077882 0.003065 35O 2py 0.046575 0.006871 -0.052785 0.003439 0.006643 -0.024469 35O 3pz 0.055158 0.069966 0.032243 0.168795 0.000337 0.123037 35O 3px 0.024804 0.277459 0.245721 0.147813 -0.347735 -0.148971 35O 3py -0.157368 0.054816 0.157656 0.133276 -0.141947 -0.032259 35O 1dz2 -0.002455 0.002337 0.000184 0.001599 -0.001535 -0.000823 35O 1dxz 0.000937 0.000587 0.002060 0.001437 -0.001772 -0.000356 35O 1dyz 0.002058 -0.000804 -0.000203 0.001106 -0.000112 0.000163 35O 1dx2y2 0.001729 -0.000778 0.000380 -0.000279 0.001621 0.001516 35O 1dxy 0.005560 -0.005069 -0.000947 -0.001782 0.001438 0.000044 35O 2dz2 0.009411 -0.015418 -0.008197 -0.002694 0.022734 0.002016 35O 2dxz 0.013727 -0.003830 -0.005322 0.006134 0.004880 -0.002501 35O 2dyz 0.002277 0.003307 -0.005332 -0.007222 -0.007634 0.001564 35O 2dx2y2 -0.003026 0.015542 0.009624 0.002033 -0.031182 -0.012554 35O 2dxy -0.001283 0.006577 0.014287 0.000653 -0.025511 -0.001051 35O 1f0 -0.001285 0.000307 0.000513 -0.000635 -0.000874 0.000248 35O 1f+1 0.001432 -0.001693 -0.000665 -0.000348 0.001543 0.000528 35O 1f-1 0.000911 -0.000587 0.000170 -0.000067 -0.000237 -0.000073 35O 1f+2 0.000166 -0.000582 -0.000684 0.000445 0.001217 -0.000086 35O 1f-2 0.000671 -0.000069 -0.000203 0.000614 -0.000182 -0.000282 35O 1f+3 -0.000154 -0.000198 -0.000359 0.000506 0.000925 0.000555 35O 1f-3 0.001293 -0.001344 -0.000805 -0.000550 0.002016 0.000486 198 199 200 201 202 203 0.45795 0.46237 0.46607 0.48088 0.49563 0.50023 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s -0.001027 0.000768 -0.000530 -0.000926 0.002680 -0.000589 0Rh 2s 0.003017 -0.002475 0.001357 0.003136 -0.006963 0.002994 0Rh 3s -0.004115 0.002940 -0.002248 -0.003455 0.011313 -0.001577 0Rh 4s -0.013030 0.010831 -0.005758 -0.013837 0.029682 -0.013761 0Rh 5s 0.002888 -0.005016 -0.000841 0.008212 0.003046 0.018376 0Rh 6s 0.056237 -0.036150 0.032994 0.038568 -0.166583 -0.003377 0Rh 7s -0.168325 0.079040 -0.175493 -0.148679 1.182327 0.043603 0Rh 8s 0.087328 -0.043399 -0.057131 0.110433 0.028174 0.063116 0Rh 1pz -0.000469 -0.000687 -0.000842 0.001735 -0.001320 -0.005357 0Rh 1px -0.002382 0.002008 -0.000556 0.000605 -0.000042 -0.002326 0Rh 1py 0.009931 -0.008278 0.001639 0.000462 -0.007305 0.001235 0Rh 2pz 0.001462 0.002479 0.002628 -0.006114 0.004778 0.018895 0Rh 2px 0.008698 -0.007324 0.001936 -0.001828 -0.000553 0.008297 0Rh 2py -0.034403 0.028839 -0.005633 -0.001542 0.025610 -0.004350 0Rh 3pz 0.001629 -0.004426 0.002820 0.007934 -0.008711 -0.024739 0Rh 3px -0.017192 0.014301 -0.002153 -0.003303 0.014207 -0.012681 0Rh 3py 0.034060 -0.031612 0.004734 0.000385 -0.030849 0.005660 0Rh 4pz -0.013028 0.005798 -0.023308 -0.000901 0.011569 0.002003 0Rh 4px 0.024726 -0.020088 -0.000681 0.021443 -0.055631 0.008650 0Rh 4py 0.034792 -0.017134 0.008925 0.005929 -0.004874 -0.000821 0Rh 5pz 0.020127 -0.024871 0.045971 0.019693 -0.049450 -0.034438 0Rh 5px -0.079356 0.064439 -0.004694 -0.037138 0.149630 -0.037791 0Rh 5py 0.027720 -0.048556 -0.004473 -0.006797 -0.075969 0.013197 0Rh 6pz -0.038621 0.268300 -0.555386 -0.141343 0.874654 -0.271653 0Rh 6px 0.496254 -0.383943 0.085031 0.190339 -2.525541 0.280016 0Rh 6py -0.519262 0.600450 0.175452 0.058871 1.265670 -0.099149 0Rh 1dz2 0.001393 -0.009911 -0.006262 -0.016127 -0.002235 -0.005837 0Rh 1dxz 0.002830 -0.003741 -0.022494 -0.003594 0.002774 -0.016821 0Rh 1dyz 0.001756 0.000611 0.003399 -0.003809 -0.005725 0.009036 0Rh 1dx2y2 0.000477 -0.004192 -0.017473 -0.012764 -0.013345 -0.014598 0Rh 1dxy -0.004809 0.002575 0.001686 -0.003116 0.023763 -0.002494 0Rh 2dz2 -0.000112 0.000759 -0.000240 0.001565 0.000130 0.001144 0Rh 2dxz 0.000056 -0.000027 0.001389 -0.000083 -0.000654 0.000679 0Rh 2dyz -0.000217 0.000731 0.000106 0.000692 0.000425 -0.001157 0Rh 2dx2y2 -0.000832 0.000808 0.001020 0.000926 0.001620 0.001355 0Rh 2dxy 0.001370 -0.000699 -0.000225 0.000559 -0.002105 0.000226 0Rh 3dz2 -0.002193 0.015342 0.012718 0.023728 0.003704 0.006358 0Rh 3dxz -0.005530 0.007100 0.036477 0.007144 -0.002549 0.029098 0Rh 3dyz -0.002436 -0.004364 -0.006804 0.003868 0.009088 -0.012154 0Rh 3dx2y2 0.002502 0.004477 0.028486 0.020069 0.018494 0.021992 0Rh 3dxy 0.003290 -0.001992 -0.002240 0.003403 -0.036205 0.003832 0Rh 4dz2 -0.001783 0.022772 0.004920 0.042081 0.003833 0.021358 0Rh 4dxz -0.001903 0.004016 0.044163 0.003062 -0.011776 0.026477 0Rh 4dyz -0.003742 0.012534 -0.002843 0.021078 0.011367 -0.027958 0Rh 4dx2y2 -0.011792 0.017032 0.034194 0.028200 0.036313 0.033756 0Rh 4dxy 0.024144 -0.010711 -0.004823 0.013387 -0.053739 0.004872 0Rh 5dz2 -0.027921 -0.017690 0.032381 -0.071687 0.002061 -0.027823 0Rh 5dxz -0.035734 0.024420 0.032151 0.020840 0.017785 0.080456 0Rh 5dyz -0.022098 -0.120336 -0.023318 -0.173721 0.016244 0.067740 0Rh 5dx2y2 0.063808 -0.059558 0.022150 -0.011900 -0.008067 -0.005334 0Rh 5dxy -0.059981 -0.007181 0.003285 -0.068528 -0.012957 0.010837 0Rh 1f0 0.004888 -0.006645 0.002957 0.000889 -0.000456 0.010631 0Rh 1f+1 0.000811 0.000418 -0.000351 -0.002031 0.000608 0.007829 0Rh 1f-1 0.003338 -0.007611 -0.002464 0.000998 -0.001345 -0.008728 0Rh 1f+2 0.002905 -0.003681 0.002899 0.000185 -0.000613 0.006876 0Rh 1f-2 0.003800 -0.000362 0.002191 -0.000762 0.001173 0.000023 0Rh 1f+3 -0.001321 0.000766 -0.000420 -0.000323 -0.000724 -0.005014 0Rh 1f-3 -0.006266 0.002534 -0.000445 -0.002094 0.001505 0.001669 1Rh 1s -0.001092 0.000765 0.000431 -0.000949 -0.002742 -0.000231 1Rh 2s 0.003205 -0.002456 -0.001025 0.003223 0.007265 0.002177 1Rh 3s -0.004378 0.002939 0.001878 -0.003533 -0.011483 -0.000001 1Rh 4s -0.013843 0.010742 0.004298 -0.014225 -0.031066 -0.010349 1Rh 5s 0.003064 -0.004849 0.001667 0.008546 -0.001258 0.020224 1Rh 6s 0.059680 -0.036371 -0.028742 0.039204 0.166471 -0.028671 1Rh 7s -0.186235 0.082980 0.160831 -0.143256 -1.173778 0.229946 1Rh 8s 0.073819 -0.039752 0.069829 0.110443 -0.023782 0.038619 1Rh 1pz 0.000547 0.000474 -0.000728 -0.001707 0.000020 0.005459 1Rh 1px 0.002363 -0.002090 -0.000409 -0.000584 0.000500 0.002365 1Rh 1py -0.009994 0.008455 0.000908 -0.000326 -0.007443 -0.000320 1Rh 2pz -0.001746 -0.001728 0.002244 0.006009 0.000100 -0.019277 1Rh 2px -0.008650 0.007615 0.001388 0.001758 -0.002449 -0.008337 1Rh 2py 0.034614 -0.029454 -0.003093 0.001064 0.026096 0.001136 1Rh 3pz -0.001101 0.003419 0.003021 -0.007698 -0.003479 0.025711 1Rh 3px 0.017493 -0.014740 -0.000853 0.003290 0.016427 0.010853 1Rh 3py -0.034131 0.032286 0.002119 0.000184 -0.031507 -0.001655 1Rh 4pz 0.012370 -0.005518 -0.022211 0.000480 0.014387 -0.004103 1Rh 4px -0.026181 0.020409 -0.003034 -0.021000 -0.054938 -0.000929 1Rh 4py -0.035503 0.017483 0.006703 -0.005822 -0.004722 0.000932 1Rh 5pz -0.017588 0.021881 0.044685 -0.018333 -0.045540 0.041561 1Rh 5px 0.082918 -0.066232 0.001541 0.035940 0.152674 0.017431 1Rh 5py -0.027055 0.049669 -0.006831 0.008259 -0.077086 -0.003117 1Rh 6pz -0.010136 -0.227000 -0.550179 0.127042 0.911530 0.166191 1Rh 6px -0.556035 0.411655 0.049987 -0.163811 -2.533667 0.073898 1Rh 6py 0.522244 -0.613139 0.204751 -0.084971 1.261977 -0.037474 1Rh 1dz2 0.000140 -0.009262 0.006596 -0.016309 0.000593 -0.006238 1Rh 1dxz 0.002916 -0.004181 0.022762 -0.003460 -0.004788 -0.016301 1Rh 1dyz 0.001960 0.000411 -0.003357 -0.003747 0.007038 0.008118 1Rh 1dx2y2 -0.000362 -0.004213 0.017493 -0.012857 0.010899 -0.016463 1Rh 1dxy -0.004196 0.002708 -0.001886 -0.002625 -0.023809 0.000604 1Rh 2dz2 -0.000077 0.000714 0.000228 0.001555 0.000183 0.001154 1Rh 2dxz 0.000031 0.000010 -0.001428 -0.000096 0.000630 0.000583 1Rh 2dyz -0.000190 0.000734 -0.000117 0.000684 -0.000589 -0.001077 1Rh 2dx2y2 -0.000787 0.000833 -0.001075 0.000981 -0.001433 0.001558 1Rh 2dxy 0.001311 -0.000711 0.000326 0.000507 0.002126 -0.000034 1Rh 3dz2 0.000007 0.014311 -0.013292 0.024116 -0.001901 0.007075 1Rh 3dxz -0.005590 0.007775 -0.036816 0.006945 0.006471 0.028512 1Rh 3dyz -0.002929 -0.004003 0.006775 0.003790 -0.010876 -0.010750 1Rh 3dx2y2 0.003882 0.004416 -0.028301 0.020014 -0.014647 0.024666 1Rh 3dxy 0.002386 -0.002189 0.002193 0.002693 0.036210 -0.000955 1Rh 4dz2 0.000157 0.021427 -0.005427 0.042114 0.002229 0.021889 1Rh 4dxz -0.002289 0.004960 -0.044969 0.002707 0.013471 0.024585 1Rh 4dyz -0.003643 0.012813 0.002620 0.020837 -0.015220 -0.025870 1Rh 4dx2y2 -0.010133 0.017365 -0.034970 0.029038 -0.031189 0.038638 1Rh 4dxy 0.022640 -0.011005 0.006416 0.012170 0.054012 -0.001918 1Rh 5dz2 -0.023396 -0.018604 -0.034372 -0.069606 -0.013532 -0.026117 1Rh 5dxz -0.035453 0.025371 -0.031800 0.021119 -0.000798 0.083505 1Rh 5dyz -0.024558 -0.119646 0.023549 -0.172555 -0.010785 0.068109 1Rh 5dx2y2 0.063580 -0.060489 -0.017928 -0.014292 0.010535 -0.007747 1Rh 5dxy -0.059176 -0.007535 -0.008586 -0.068259 0.011882 0.007739 1Rh 1f0 -0.005076 0.006825 0.002427 -0.000791 -0.002019 -0.010496 1Rh 1f+1 -0.000808 -0.000394 -0.000498 0.001994 -0.000689 -0.007793 1Rh 1f-1 -0.003499 0.007632 -0.002739 -0.000931 -0.000039 0.008872 1Rh 1f+2 -0.002883 0.003768 0.002637 -0.000180 -0.001585 -0.006966 1Rh 1f-2 -0.003825 0.000358 0.001929 0.000612 0.001097 0.000142 1Rh 1f+3 0.001194 -0.000788 -0.000316 0.000316 -0.000035 0.004959 1Rh 1f-3 0.006252 -0.002516 0.000012 0.002075 0.001395 -0.002056 2C 1s 0.012271 0.016996 0.001721 -0.012931 0.004520 0.004313 2C 2s 0.026645 0.035732 0.003798 -0.026441 0.010410 0.008941 2C 3s -0.008195 0.047245 0.012814 -0.031310 -0.019658 0.017540 2C 4s -0.392045 -0.958572 -0.153119 0.875872 -0.012232 -0.355333 2C 5s 2.707577 1.919403 -0.539462 -9.876248 1.600458 3.697972 2C 1pz 0.094611 0.037183 0.049023 0.021684 0.050333 0.043871 2C 1px 0.037429 0.024555 0.034981 0.005842 0.013491 -0.072082 2C 1py -0.114534 0.008312 -0.118617 -0.016452 -0.029066 -0.038933 2C 2pz 0.454813 0.132136 0.165057 -0.030701 0.277968 0.183256 2C 2px 0.163780 0.110814 0.140902 0.016401 0.086098 -0.229479 2C 2py -0.384311 0.024615 -0.471873 -0.170613 -0.054937 -0.127926 2C 3pz 0.130103 -0.069665 -0.761821 -1.925332 0.046604 0.206429 2C 3px -0.169056 -0.351721 -0.237816 -0.971612 -0.075969 0.853057 2C 3py 1.334306 0.016499 0.830053 -1.071065 0.513209 0.677543 2C 1dz2 0.002824 -0.002184 0.003169 -0.002132 0.001181 0.002408 2C 1dxz 0.005069 0.000569 0.002618 -0.001782 -0.002559 -0.001356 2C 1dyz -0.001958 -0.003205 -0.002233 -0.002264 0.002397 0.000901 2C 1dx2y2 0.003767 0.000557 0.001777 0.002817 0.000868 0.000301 2C 1dxy -0.003802 -0.000714 -0.003225 0.000088 -0.001797 -0.000735 2C 2dz2 0.010235 0.002058 0.000783 -0.060812 -0.006560 -0.063199 2C 2dxz -0.006122 0.014746 -0.012933 0.008933 0.034478 0.077780 2C 2dyz 0.048177 0.027304 0.005844 -0.058223 0.041833 0.041314 2C 2dx2y2 -0.034835 0.002832 0.006975 -0.005624 -0.019912 0.034374 2C 2dxy 0.033165 0.025454 -0.018594 -0.020478 0.006512 0.029988 2C 1f0 -0.010569 -0.003733 -0.005944 -0.000319 -0.003144 -0.007599 2C 1f+1 0.006275 0.001239 0.005304 0.000751 0.004340 0.003059 2C 1f-1 0.002745 -0.002846 -0.000267 0.000283 0.001161 0.000792 2C 1f+2 0.000037 0.006698 -0.000049 -0.001722 0.001567 0.007203 2C 1f-2 -0.008516 -0.008674 -0.006283 0.002640 -0.001678 0.001565 2C 1f+3 -0.002540 0.008305 -0.004853 -0.006069 0.000758 0.001055 2C 1f-3 0.005094 0.002768 0.003492 -0.001427 0.000897 -0.004439 3C 1s -0.012778 -0.020140 -0.002090 0.012486 0.000399 0.000110 3C 2s -0.026403 -0.043425 -0.004572 0.025667 0.001468 0.000735 3C 3s -0.036746 -0.022954 0.003830 0.012686 0.017191 -0.013876 3C 4s 0.776368 0.891912 0.052884 -0.712735 -0.129030 0.083546 3C 5s -3.320070 -2.358720 -0.670287 10.880631 -3.417560 -0.978678 3C 1pz -0.048987 0.094610 0.102586 0.014411 -0.028352 0.042122 3C 1px 0.030645 -0.001189 0.022446 -0.023031 -0.023933 -0.078482 3C 1py 0.009256 0.108945 0.078495 0.008403 -0.004544 -0.009761 3C 2pz -0.219656 0.356563 0.402272 0.187725 -0.182762 0.176941 3C 2px 0.116882 -0.035712 0.065291 -0.022875 -0.099330 -0.280661 3C 2py 0.052827 0.469299 0.314901 -0.119419 0.052334 -0.028072 3C 3pz 0.077835 -1.111539 -0.986989 0.897606 -0.593997 -0.353870 3C 3px -0.367673 0.054071 -0.389373 1.372136 -0.180055 0.201294 3C 3py 0.394929 -0.360549 -0.416019 -2.475412 1.040020 0.160703 3C 1dz2 -0.000928 0.000168 0.000654 -0.000478 0.002405 0.000625 3C 1dxz 0.000452 0.003654 0.001751 0.001840 -0.002125 -0.003457 3C 1dyz -0.000317 -0.005701 -0.002514 -0.002382 0.001121 -0.000576 3C 1dx2y2 -0.001757 0.003041 0.004295 -0.004028 -0.000183 0.000786 3C 1dxy -0.000645 0.000489 0.000070 -0.002702 0.002293 -0.000881 3C 2dz2 0.030987 0.016635 -0.015099 -0.038228 0.011946 -0.063161 3C 2dxz -0.014171 -0.031762 0.009619 0.017700 -0.008186 0.044500 3C 2dyz 0.007833 0.042101 0.026983 -0.066017 0.009561 0.046794 3C 2dx2y2 0.013544 -0.015433 -0.007451 -0.038172 0.054678 0.069661 3C 2dxy 0.019989 0.045211 0.002712 -0.040054 -0.008331 -0.084365 3C 1f0 0.005649 -0.003329 -0.007934 -0.004139 0.001919 -0.002515 3C 1f+1 0.004283 -0.000681 -0.002120 -0.001603 -0.001405 -0.005772 3C 1f-1 0.002297 0.012208 0.006161 -0.001889 -0.001700 0.000310 3C 1f+2 -0.005707 -0.012303 -0.000284 0.001308 0.004488 0.000380 3C 1f-2 -0.005967 -0.005720 0.000101 0.000703 0.003260 -0.000183 3C 1f+3 0.000243 -0.007456 -0.006348 0.001506 0.000900 0.004218 3C 1f-3 -0.002151 0.001951 0.002134 0.000395 0.001002 0.010778 4C 1s -0.009459 -0.015098 -0.000349 0.013491 0.005378 -0.001645 4C 2s -0.020515 -0.033235 -0.000534 0.029868 0.011760 -0.003533 4C 3s 0.054167 0.043421 -0.047882 0.008541 0.016147 -0.030546 4C 4s 0.069227 0.368427 0.403143 -1.082941 -0.391609 0.371883 4C 5s -2.497520 -1.239148 0.645882 5.168601 0.085602 -1.627888 4C 1pz -0.026704 0.032597 -0.036425 0.058233 -0.043143 -0.027887 4C 1px 0.007657 0.032378 -0.033117 0.028685 0.002710 0.072971 4C 1py 0.021904 0.029081 0.018142 0.015658 0.029252 -0.019111 4C 2pz -0.033651 0.038166 0.004391 -0.035476 -0.229509 -0.101245 4C 2px -0.135937 0.095064 0.068483 0.016158 0.421892 0.444743 4C 2py -0.051486 0.064025 0.103757 -0.033496 0.058965 0.071999 4C 3pz 1.015078 -0.726389 -0.358401 -4.645141 1.302441 1.541002 4C 3px 0.069415 0.027906 -0.010545 -0.620845 0.257763 0.137201 4C 3py 0.570507 -0.361639 -0.394261 -2.797599 0.777372 1.271044 4C 1dz2 0.001449 0.002468 -0.011338 -0.000473 0.000092 -0.003520 4C 1dxz -0.004564 -0.000396 -0.004556 0.001787 0.009145 -0.000825 4C 1dyz 0.006110 0.002955 0.001105 -0.004519 0.002274 0.002081 4C 1dx2y2 -0.007110 -0.002192 0.003756 -0.007404 -0.008981 0.001995 4C 1dxy 0.001723 -0.002080 0.004595 -0.005023 0.001025 0.001423 4C 2dz2 -0.054254 -0.020661 -0.008027 0.019460 -0.088682 -0.041945 4C 2dxz -0.062291 0.032482 0.001502 0.050614 0.095584 0.083098 4C 2dyz -0.065365 -0.015830 0.036617 -0.037252 -0.098864 0.016514 4C 2dx2y2 -0.033918 -0.010111 -0.012824 -0.068055 0.085670 0.035956 4C 2dxy -0.092155 -0.037921 0.074392 -0.052096 0.074917 0.145993 4C 1f0 0.003327 -0.000541 0.000027 0.003349 0.003202 0.004022 4C 1f+1 0.003107 0.002739 -0.007785 0.005534 0.001980 -0.006495 4C 1f-1 0.003545 -0.001361 -0.004027 -0.005119 -0.000618 -0.003616 4C 1f+2 -0.000129 -0.000113 0.001891 -0.001927 -0.008938 -0.003557 4C 1f-2 -0.001098 -0.000332 0.002944 -0.002400 0.007071 0.004392 4C 1f+3 0.002110 -0.001043 0.000720 -0.000787 -0.006489 -0.002473 4C 1f-3 0.005502 -0.000166 -0.006262 0.005115 -0.005462 -0.009210 5C 1s 0.014663 0.011207 -0.000153 -0.012960 -0.001778 -0.001474 5C 2s 0.032412 0.024412 -0.000651 -0.028279 -0.004387 -0.003537 5C 3s -0.025315 -0.074281 -0.031759 -0.006462 0.005255 0.054723 5C 4s -0.559885 0.066577 0.245295 1.017577 -0.002119 -0.419881 5C 5s 2.002704 1.917198 0.480282 -6.501005 1.808664 -0.126658 5C 1pz -0.020746 -0.019077 -0.023363 -0.023933 0.021120 -0.006410 5C 1px -0.031805 -0.017368 0.000864 -0.011073 0.025328 0.117617 5C 1py 0.015183 0.002511 -0.016343 0.082692 -0.004654 0.012503 5C 2pz -0.141054 0.072578 0.078972 -0.018159 -0.088846 -0.131445 5C 2px 0.128943 -0.149994 -0.092865 0.014388 0.394199 0.351537 5C 2py 0.111748 -0.115045 -0.135682 0.023876 -0.009010 0.115403 5C 3pz -0.225659 0.199029 -0.147084 3.141201 -1.225533 -0.570536 5C 3px 0.064560 -0.261016 -0.075309 1.723993 -0.935269 -0.179748 5C 3py 0.540480 -0.182236 0.443815 -5.397869 2.409338 0.562345 5C 1dz2 0.000731 -0.003210 -0.005469 -0.006191 -0.001955 0.001513 5C 1dxz 0.001313 -0.006419 -0.005943 -0.001975 -0.002675 0.002601 5C 1dyz 0.002735 0.005262 0.001867 -0.008019 0.003813 0.001567 5C 1dx2y2 0.003840 0.000803 -0.001074 0.001588 0.012795 -0.006314 5C 1dxy -0.000762 0.000613 0.004611 -0.001953 0.002421 0.003580 5C 2dz2 -0.029750 -0.079729 -0.005604 -0.034085 -0.049173 0.067414 5C 2dxz 0.057938 -0.058557 -0.073364 -0.050728 0.060169 0.006617 5C 2dyz 0.029346 -0.111317 -0.059836 -0.021066 -0.004816 0.049099 5C 2dx2y2 0.031744 -0.040392 -0.014952 0.083349 -0.065270 -0.003889 5C 2dxy -0.055218 0.038808 -0.000471 0.041275 -0.162208 -0.126937 5C 1f0 0.002887 -0.004430 -0.001577 -0.005832 0.006963 0.008834 5C 1f+1 -0.001672 -0.001231 -0.003401 -0.002793 -0.004116 0.000271 5C 1f-1 0.003858 -0.002603 -0.003640 -0.000754 0.003547 -0.002412 5C 1f+2 -0.000312 0.000472 0.002069 -0.004388 -0.001573 -0.004064 5C 1f-2 -0.006442 0.007356 0.008305 0.000685 -0.004545 -0.004768 5C 1f+3 -0.001225 -0.002863 -0.000108 -0.001130 -0.004208 0.004180 5C 1f-3 0.000543 0.005492 0.005242 0.004204 0.002229 -0.005808 6C 1s 0.013631 0.010939 0.000654 -0.013068 0.001412 -0.001537 6C 2s 0.030198 0.023838 0.001783 -0.028538 0.003537 -0.003752 6C 3s -0.024229 -0.073691 0.032347 -0.005050 0.004745 0.054593 6C 4s -0.514441 0.071402 -0.281398 1.013781 -0.059797 -0.428154 6C 5s 1.754349 1.924453 -0.452425 -6.514630 -1.902133 0.188164 6C 1pz 0.020029 0.019182 -0.023373 0.022908 0.019987 0.004792 6C 1px 0.030482 0.017798 0.001954 0.012236 0.013356 -0.125487 6C 1py -0.018055 -0.001156 -0.017094 -0.082713 -0.007105 -0.011735 6C 2pz 0.139812 -0.072645 0.088846 0.018134 -0.065355 0.147641 6C 2px -0.127112 0.150142 -0.109925 -0.014253 0.329279 -0.428960 6C 2py -0.114057 0.116477 -0.146447 -0.025960 -0.032798 -0.114827 6C 3pz 0.154052 -0.155612 -0.130437 -3.125624 -1.163193 0.742075 6C 3px -0.119403 0.291831 -0.096608 -1.717986 -0.931164 0.317532 6C 3py -0.418753 0.108184 0.424954 5.378913 2.381392 -0.886050 6C 1dz2 0.000734 -0.003262 0.005548 -0.006219 0.001947 0.001290 6C 1dxz 0.001500 -0.006620 0.006241 -0.002014 0.003156 0.002357 6C 1dyz 0.002145 0.005235 -0.001707 -0.007938 -0.003418 0.002160 6C 1dx2y2 0.003847 0.001129 0.001164 0.001777 -0.013418 -0.004882 6C 1dxy -0.000605 0.000688 -0.004756 -0.001938 -0.002391 0.003813 6C 2dz2 -0.026429 -0.077882 0.005312 -0.034016 0.056965 0.057507 6C 2dxz 0.050271 -0.053919 0.079089 -0.049182 -0.051965 0.015287 6C 2dyz 0.033715 -0.112367 0.065222 -0.021227 0.015944 0.051793 6C 2dx2y2 0.034135 -0.042785 0.018360 0.080482 0.068603 -0.004606 6C 2dxy -0.055087 0.037525 -0.007375 0.039220 0.135442 -0.152184 6C 1f0 -0.002922 0.004351 -0.001980 0.005724 0.005267 -0.009967 6C 1f+1 0.001838 0.001133 -0.003285 0.002708 -0.003879 0.000768 6C 1f-1 -0.003783 0.002524 -0.003863 0.000747 0.003740 0.001853 6C 1f+2 0.000474 -0.000567 0.002143 0.004366 -0.000800 0.004501 6C 1f-2 0.006175 -0.007312 0.009027 -0.000594 -0.002951 0.005680 6C 1f+3 0.001084 0.002908 -0.000077 0.001038 -0.004798 -0.003208 6C 1f-3 -0.000680 -0.005416 0.005439 -0.004116 0.003126 0.005396 7C 1s -0.009388 -0.015050 0.000059 0.013410 -0.005178 -0.001255 7C 2s -0.020341 -0.033135 -0.000075 0.029680 -0.011295 -0.002695 7C 3s 0.054401 0.042563 0.048912 0.010297 -0.022496 -0.026586 7C 4s 0.067532 0.369604 -0.394290 -1.091300 0.434555 0.321373 7C 5s -2.550568 -1.181639 -0.797757 5.121336 -0.157287 -1.713773 7C 1pz 0.025802 -0.033475 -0.034410 -0.057169 -0.040500 0.034154 7C 1px -0.007360 -0.033776 -0.032310 -0.030064 -0.001097 -0.074768 7C 1py -0.020241 -0.029018 0.018933 -0.016625 0.033437 0.013709 7C 2pz 0.030515 -0.041582 0.007191 0.041491 -0.212911 0.129358 7C 2px 0.143994 -0.103230 0.075346 -0.028121 0.351334 -0.488355 7C 2py 0.064600 -0.063649 0.107413 0.033283 0.045305 -0.079956 7C 3pz -1.074280 0.793262 -0.453614 4.600114 1.174673 -1.717910 7C 3px -0.079241 -0.009984 -0.019640 0.610825 0.233353 -0.178046 7C 3py -0.647715 0.389040 -0.451762 2.776850 0.658933 -1.367902 7C 1dz2 0.001305 0.002497 0.011427 -0.000365 -0.000877 -0.003283 7C 1dxz -0.004808 -0.000411 0.004520 0.002008 -0.008886 -0.000134 7C 1dyz 0.006562 0.002755 -0.000808 -0.004455 -0.001981 0.002300 7C 1dx2y2 -0.007898 -0.001892 -0.003793 -0.007610 0.009376 0.000864 7C 1dxy 0.001669 -0.002042 -0.004481 -0.005056 -0.000588 0.001195 7C 2dz2 -0.057780 -0.016995 0.007081 0.017663 0.076422 -0.048790 7C 2dxz -0.065827 0.035943 -0.005847 0.053734 -0.078676 0.093797 7C 2dyz -0.067284 -0.014973 -0.041840 -0.039738 0.096663 0.007121 7C 2dx2y2 -0.033372 -0.008437 0.011463 -0.067308 -0.078571 0.042005 7C 2dxy -0.094846 -0.036968 -0.074273 -0.050227 -0.047372 0.153079 7C 1f0 -0.003719 0.000539 -0.000092 -0.003510 0.002712 -0.004485 7C 1f+1 -0.003130 -0.002670 -0.007717 -0.005664 0.002939 0.006127 7C 1f-1 -0.003693 0.001489 -0.004130 0.005129 0.000250 0.003554 7C 1f+2 -0.000094 0.000019 0.001930 0.002221 -0.008260 0.004649 7C 1f-2 0.000907 0.000296 0.002889 0.002196 0.005973 -0.004951 7C 1f+3 -0.002271 0.001203 0.000537 0.001019 -0.005953 0.003033 7C 1f-3 -0.005779 0.000322 -0.006440 -0.005062 -0.003509 0.009422 8C 1s -0.011350 -0.019879 0.001934 0.012639 -0.000263 0.000148 8C 2s -0.023359 -0.042872 0.004301 0.025996 -0.001095 0.000949 8C 3s -0.035095 -0.021554 -0.005271 0.013375 -0.019395 -0.012835 8C 4s 0.710258 0.873196 -0.035664 -0.724495 0.135217 0.078152 8C 5s -2.939659 -2.419345 0.591137 10.886505 3.376262 -1.495698 8C 1pz 0.052036 -0.092900 0.105281 -0.014018 -0.033524 -0.041193 8C 1px -0.030154 0.001459 0.021724 0.023265 -0.016888 0.084084 8C 1py -0.005055 -0.107620 0.079772 -0.008293 -0.004749 0.010874 8C 2pz 0.228878 -0.347797 0.412275 -0.184827 -0.206546 -0.164775 8C 2px -0.117332 0.037591 0.061572 0.024668 -0.076568 0.299586 8C 2py -0.029234 -0.467401 0.320403 0.119127 0.051654 0.025538 8C 3pz -0.144852 1.108554 -1.006054 -0.895998 -0.557390 0.457062 8C 3px 0.350513 -0.054375 -0.372332 -1.383311 -0.199120 -0.188924 8C 3py -0.334560 0.324849 -0.435045 2.463120 1.048491 -0.316199 8C 1dz2 -0.000841 0.000167 -0.000691 -0.000431 -0.002281 0.000894 8C 1dxz 0.000293 0.003675 -0.001914 0.001854 0.001695 -0.003842 8C 1dyz -0.000099 -0.005491 0.002474 -0.002355 -0.001255 -0.000557 8C 1dx2y2 -0.001847 0.002965 -0.004391 -0.004012 0.000155 0.000858 8C 1dxy -0.000845 0.000591 -0.000084 -0.002678 -0.002324 -0.000512 8C 2dz2 0.029345 0.016608 0.015018 -0.038185 -0.021442 -0.063131 8C 2dxz -0.010596 -0.032813 -0.009182 0.017727 0.013255 0.044948 8C 2dyz 0.004146 0.041575 -0.025923 -0.066046 -0.004236 0.049117 8C 2dx2y2 0.012885 -0.014330 0.008790 -0.037849 -0.046935 0.077770 8C 2dxy 0.017758 0.045504 -0.004447 -0.039643 -0.002385 -0.088418 8C 1f0 -0.005703 0.003173 -0.008113 0.004176 0.002384 0.002561 8C 1f+1 -0.004089 0.000735 -0.002029 0.001542 -0.000749 0.006145 8C 1f-1 -0.001702 -0.011957 0.006242 0.001930 -0.001786 -0.000225 8C 1f+2 0.005006 0.011897 -0.000229 -0.001429 0.004304 -0.001095 8C 1f-2 0.005642 0.005825 0.000094 -0.000858 0.003496 -0.000193 8C 1f+3 -0.000607 0.007546 -0.006568 -0.001478 0.000502 -0.004386 8C 1f-3 0.002308 -0.001713 0.001934 -0.000408 -0.000285 -0.011266 9C 1s 0.012033 0.016731 -0.001033 -0.012891 -0.003938 0.004858 9C 2s 0.026112 0.035159 -0.002313 -0.026348 -0.009163 0.010186 9C 3s -0.009181 0.047608 -0.012844 -0.032014 0.021336 0.015225 9C 4s -0.375645 -0.949917 0.127190 0.879079 -0.024716 -0.363599 9C 5s 2.781135 1.803930 0.757511 -9.817066 -1.293770 3.978616 9C 1pz -0.103123 -0.034886 0.047589 -0.021822 0.045751 -0.050551 9C 1px -0.042842 -0.022798 0.035504 -0.005937 0.016511 0.074347 9C 1py 0.126911 -0.011517 -0.117157 0.016144 -0.023987 0.043829 9C 2pz -0.488903 -0.120395 0.154159 0.027527 0.257543 -0.218845 9C 2px -0.185468 -0.104137 0.141863 -0.017920 0.090626 0.234515 9C 2py 0.432273 -0.035119 -0.470366 0.167590 -0.037557 0.138867 9C 3pz -0.109918 0.071690 -0.799738 1.892304 0.049691 -0.212915 9C 3px 0.200125 0.340876 -0.260194 0.967542 -0.124429 -0.865687 9C 3py -1.442319 0.040812 0.779972 1.081616 0.437093 -0.767271 9C 1dz2 0.003190 -0.002348 -0.003058 -0.002082 -0.000847 0.002522 9C 1dxz 0.005568 0.000410 -0.002563 -0.001817 0.002280 -0.001591 9C 1dyz -0.001969 -0.003152 0.002126 -0.002203 -0.002364 0.001235 9C 1dx2y2 0.004244 0.000458 -0.001905 0.002853 -0.000927 0.000425 9C 1dxy -0.004057 -0.000634 0.003178 0.000088 0.001660 -0.000846 9C 2dz2 0.006102 -0.000186 0.001299 -0.060795 -0.000152 -0.065987 9C 2dxz -0.009371 0.014187 0.013294 0.009972 -0.025266 0.085319 9C 2dyz 0.050276 0.026745 -0.003142 -0.057302 -0.035611 0.045499 9C 2dx2y2 -0.039086 0.002257 -0.007909 -0.005121 0.023324 0.034025 9C 2dxy 0.033447 0.025824 0.018760 -0.020046 -0.005756 0.035522 9C 1f0 0.011660 0.003574 -0.005911 0.000346 -0.002475 0.008241 9C 1f+1 -0.006815 -0.001018 0.005135 -0.000804 0.003622 -0.003214 9C 1f-1 -0.003154 0.002766 -0.000210 -0.000331 0.001297 -0.001096 9C 1f+2 0.000117 -0.007078 0.000026 0.001823 0.000939 -0.007646 9C 1f-2 0.008775 0.008339 -0.005921 -0.002706 -0.001609 -0.001800 9C 1f+3 0.003838 -0.008198 -0.005157 0.005968 0.000525 -0.001275 9C 1f-3 -0.005417 -0.002953 0.003216 0.001722 0.001143 0.004701 10H 1s 0.013078 0.015055 -0.007462 -0.002080 0.018127 0.016197 10H 2s 0.121306 0.183366 -0.095167 0.083506 0.190398 0.285041 10H 3s 0.004663 -0.301723 0.053923 1.382885 -0.202026 -1.359187 10H 1pz 0.006361 0.006961 0.001170 -0.001906 0.000580 0.010518 10H 1px -0.001115 -0.007219 0.004743 0.005498 -0.007654 -0.014349 10H 1py -0.008321 0.001240 -0.005959 -0.003337 -0.004785 0.001157 11H 1s 0.065628 0.027060 0.037850 -0.003730 0.015086 0.001420 11H 2s 0.811580 0.332466 0.537543 0.089905 0.263016 0.002751 11H 3s -1.614207 -0.901307 -1.306730 0.360138 -0.612904 -0.435530 11H 1pz 0.017052 0.012546 0.011868 0.008524 0.011721 0.006266 11H 1px 0.018251 0.011846 0.016321 -0.005121 0.002769 -0.000773 11H 1py -0.023508 -0.007573 -0.013653 0.009251 -0.003357 -0.001393 12H 1s -0.019089 0.021264 -0.035768 -0.012412 -0.005513 -0.017681 12H 2s -0.369167 0.222439 -0.414242 -0.112054 -0.087756 -0.315958 12H 3s 0.890547 -0.659055 1.166606 1.064602 0.258457 0.479284 12H 1pz 0.008136 -0.001944 0.008389 0.005847 0.003095 -0.002245 12H 1px -0.004197 0.005125 -0.000294 -0.010362 -0.002445 -0.006523 12H 1py -0.019058 0.010917 -0.012716 -0.011006 -0.003779 -0.006688 13H 1s -0.023850 -0.015042 0.002696 0.007944 0.000286 0.021535 13H 2s -0.341241 -0.161556 0.110925 0.020607 0.055727 0.434874 13H 3s 1.014327 -0.043742 -0.219267 -1.414574 -0.119088 -0.513205 13H 1pz -0.015394 0.001946 0.011061 0.006634 -0.001586 0.013229 13H 1px 0.013037 0.006521 -0.002641 -0.007338 -0.003236 -0.015241 13H 1py 0.007683 0.007997 -0.001885 -0.001706 -0.003815 -0.008984 14H 1s -0.013602 0.000802 0.023235 0.007423 -0.015264 -0.011894 14H 2s -0.098932 0.089370 0.343000 -0.026861 -0.122528 -0.224676 14H 3s 0.624278 -0.293709 -1.045075 -0.781512 0.357622 0.281727 14H 1pz -0.007011 0.004832 0.011823 0.000090 -0.002007 0.002023 14H 1px -0.004241 0.002442 0.009459 0.006302 -0.001124 -0.016135 14H 1py -0.001764 0.005617 0.006028 0.004136 -0.006354 -0.005232 15H 1s -0.002126 -0.070599 -0.041445 0.011033 0.001274 -0.006556 15H 2s 0.075845 -0.918211 -0.579790 -0.056187 0.173286 -0.145190 15H 3s 0.150858 2.009786 1.349037 -0.306812 -0.045434 0.490526 15H 1pz 0.001213 0.028827 0.018238 -0.011888 -0.001670 0.004436 15H 1px 0.003473 -0.003751 -0.004541 -0.003975 0.001712 -0.015273 15H 1py -0.001852 0.029878 0.017287 0.010394 -0.015997 0.005407 16H 1s 0.019051 -0.001232 0.012733 0.053200 -0.025064 -0.006637 16H 2s 0.254852 -0.176349 0.209843 0.391774 -0.307689 0.012473 16H 3s -0.165460 0.113148 -0.326871 -0.446511 0.592448 -0.331155 16H 1pz 0.007731 -0.012854 0.015299 0.005954 -0.006667 0.009778 16H 1px -0.005340 0.012614 -0.013393 0.009610 0.021487 -0.017700 16H 1py 0.008965 -0.006886 -0.001322 0.001865 -0.008969 -0.008639 17H 1s 0.021227 -0.019436 0.003789 -0.024119 -0.017906 0.004330 17H 2s 0.331106 -0.236151 -0.109427 -0.110139 -0.308813 -0.080594 17H 3s -0.259205 0.159108 0.160472 0.151365 0.606717 0.162520 17H 1pz -0.002668 0.001714 0.006494 0.008410 -0.011474 0.004047 17H 1px -0.016716 0.004668 0.020206 -0.011394 0.028828 0.018632 17H 1py 0.011715 -0.009398 -0.001558 0.000936 -0.010154 0.001891 18H 1s 0.023191 -0.020079 -0.002253 -0.022482 0.017514 -0.000256 18H 2s 0.353946 -0.248245 0.133570 -0.107584 0.282496 -0.125763 18H 3s -0.284139 0.172626 -0.174238 0.140686 -0.556794 0.267831 18H 1pz 0.003332 -0.002103 0.006934 -0.007962 -0.012011 -0.002492 18H 1px 0.017834 -0.005690 0.021350 0.010362 0.024987 -0.021254 18H 1py -0.011847 0.009706 -0.002331 -0.000242 -0.010338 -0.001116 19H 1s 0.019182 -0.000740 -0.010923 0.051986 0.024959 -0.009548 19H 2s 0.250287 -0.168017 -0.188402 0.380583 0.321952 -0.019029 19H 3s -0.158670 0.102006 0.304551 -0.428367 -0.648982 -0.246088 19H 1pz -0.006776 0.011885 0.014695 -0.006002 -0.008760 -0.009506 19H 1px 0.005089 -0.012424 -0.012908 -0.009704 0.024253 0.014518 19H 1py -0.008963 0.007069 -0.001402 -0.001700 -0.007525 0.009100 20H 1s 0.001480 -0.069645 0.042087 0.011120 -0.002026 -0.007085 20H 2s 0.117069 -0.903008 0.591566 -0.053239 -0.193073 -0.131702 20H 3s 0.063013 1.978206 -1.365450 -0.314122 0.114399 0.512441 20H 1pz 0.000312 -0.028363 0.018418 0.012010 -0.002049 -0.004619 20H 1px -0.003452 0.003760 -0.004635 0.003765 0.003707 0.015467 20H 1py 0.003158 -0.029181 0.017572 -0.010146 -0.017043 -0.003410 21H 1s -0.013027 0.000896 -0.024135 0.007549 0.014167 -0.013937 21H 2s -0.101689 0.091427 -0.352305 -0.025336 0.105537 -0.238412 21H 3s 0.600089 -0.285040 1.079595 -0.779826 -0.347871 0.334972 21H 1pz 0.007345 -0.004796 0.012067 -0.000043 -0.002527 -0.002064 21H 1px 0.004332 -0.002627 0.009793 -0.006435 0.000248 0.016341 21H 1py 0.001791 -0.005516 0.006256 -0.004208 -0.005424 0.006415 22H 1s -0.022500 -0.015278 -0.002759 0.007837 0.002157 0.022738 22H 2s -0.327107 -0.164899 -0.110449 0.020184 -0.009520 0.461758 22H 3s 0.989781 -0.037121 0.238686 -1.429081 0.059448 -0.553875 22H 1pz 0.015241 -0.001901 0.011183 -0.006669 -0.003191 -0.013488 22H 1px -0.012281 -0.006691 -0.002693 0.007338 -0.001584 0.016228 22H 1py -0.007139 -0.007957 -0.001859 0.001892 -0.002999 0.009606 23H 1s -0.022984 0.022062 0.036505 -0.012589 0.004074 -0.018811 23H 2s -0.433887 0.231077 0.420153 -0.114122 0.064798 -0.338166 23H 3s 1.031719 -0.686548 -1.172953 1.056480 -0.199447 0.521134 23H 1pz -0.008795 0.002298 0.008530 -0.006088 0.003498 0.002004 23H 1px 0.004702 -0.004989 -0.000358 0.010309 -0.002167 0.007372 23H 1py 0.022333 -0.011237 -0.012858 0.011117 -0.003385 0.007510 24H 1s 0.070014 0.025155 -0.036168 -0.003566 -0.014073 0.002580 24H 2s 0.874347 0.313164 -0.520021 0.089909 -0.244662 0.017703 24H 3s -1.747877 -0.842988 1.266110 0.369691 0.524446 -0.499075 24H 1pz -0.018647 -0.012430 0.011615 -0.008470 0.010389 -0.007063 24H 1px -0.020271 -0.011554 0.016020 0.005402 0.002272 0.001074 24H 1py 0.024865 0.006711 -0.012954 -0.009065 -0.003307 0.001880 25H 1s 0.012780 0.015048 0.007911 -0.001578 -0.016809 0.018403 25H 2s 0.112367 0.185406 0.098250 0.087570 -0.170817 0.319601 25H 3s 0.023956 -0.303329 -0.068195 1.381938 0.099713 -1.427280 25H 1pz -0.006467 -0.006956 0.001095 0.001981 0.000049 -0.011528 25H 1px 0.000251 0.007317 0.004921 -0.005319 -0.006597 0.015866 25H 1py 0.009395 -0.001238 -0.005894 0.003430 -0.004820 -0.000917 26O 1s 0.001509 -0.000460 -0.000851 -0.000252 -0.001204 0.004215 26O 2s 0.003641 -0.001267 -0.002124 -0.001547 -0.003363 0.010506 26O 3s -0.006577 0.007149 0.005563 0.018550 0.015570 -0.016481 26O 4s -0.040661 -0.042952 0.037394 -0.150041 -0.025476 0.012563 26O 5s 0.447703 0.440569 -0.427445 1.082607 -0.559678 -1.041869 26O 1pz -0.025527 0.009943 -0.004781 -0.044592 -0.012215 0.012456 26O 1px 0.041941 0.063502 -0.060963 0.029365 0.002209 -0.047747 26O 1py -0.001322 0.015680 0.032899 0.034380 -0.005301 0.091006 26O 2pz -0.048854 -0.007884 -0.025579 -0.132250 -0.006393 0.033713 26O 2px 0.022765 0.068424 -0.062518 0.008299 0.033741 -0.028523 26O 2py -0.025054 0.014448 0.092551 0.036646 0.034256 0.224654 26O 3pz 0.076087 0.235370 0.155255 0.750059 0.011806 -0.209385 26O 3px -0.301863 0.069068 0.362294 -0.503113 0.611049 0.770157 26O 3py -0.063348 0.144116 -0.165676 -0.002467 0.108409 -0.371768 26O 1dz2 0.000562 -0.001846 -0.001908 0.000313 -0.001484 -0.002916 26O 1dxz 0.002740 -0.000139 0.001376 0.002749 -0.001086 0.000129 26O 1dyz -0.000044 -0.000590 0.001010 -0.002142 0.000221 0.001105 26O 1dx2y2 -0.001051 0.000912 0.003731 -0.003339 0.000414 0.006546 26O 1dxy -0.000732 0.001987 0.000038 -0.002831 0.000967 0.001881 26O 2dz2 -0.005284 -0.001762 0.019944 -0.002427 0.020552 0.028191 26O 2dxz 0.007459 -0.001254 0.004880 -0.001791 -0.005450 -0.000268 26O 2dyz -0.003880 0.013391 -0.005229 -0.003346 -0.005492 0.005356 26O 2dx2y2 0.023411 0.008268 -0.011163 0.011450 -0.005793 -0.012798 26O 2dxy 0.008616 0.010259 -0.017884 0.004940 -0.011146 -0.012303 26O 1f0 0.000472 -0.000582 0.000557 -0.000260 -0.000319 -0.000203 26O 1f+1 0.001341 -0.000000 -0.000728 0.000525 -0.000674 -0.001508 26O 1f-1 -0.000200 0.000399 -0.000121 0.000770 -0.001192 -0.000401 26O 1f+2 0.000198 0.000130 -0.000183 -0.000395 0.000270 0.000722 26O 1f-2 -0.000246 0.000586 -0.000313 0.000842 0.001009 0.000048 26O 1f+3 0.001167 0.000690 -0.000493 0.000594 0.001142 -0.000768 26O 1f-3 0.001101 -0.000006 -0.001700 0.000192 -0.001767 -0.001985 27O 1s -0.006549 0.002278 -0.000562 0.001479 0.005142 0.004485 27O 2s -0.015580 0.005610 -0.000945 0.004532 0.012131 0.011063 27O 3s 0.019977 -0.011883 -0.004757 -0.022996 -0.012115 -0.017428 27O 4s 0.096657 0.022347 0.048034 0.130754 -0.041258 -0.062676 27O 5s -0.276162 -0.409344 -0.144348 -1.116032 -0.305087 0.110576 27O 1pz 0.030309 -0.012100 -0.016779 -0.011406 0.004688 -0.054654 27O 1px -0.030074 -0.051688 -0.016032 -0.027832 -0.038666 0.046321 27O 1py 0.000753 -0.000079 -0.045191 -0.031216 -0.023863 -0.093828 27O 2pz 0.048274 -0.018651 -0.046843 -0.009194 0.025872 -0.110592 27O 2px -0.006598 -0.058632 -0.016912 -0.013514 -0.018173 0.052979 27O 2py 0.004547 -0.028342 -0.095739 -0.115081 -0.036784 -0.168273 27O 3pz -0.057107 -0.069809 0.169978 -0.336353 -0.196858 0.340488 27O 3px 0.089844 0.018466 -0.010023 0.421454 0.335333 0.096348 27O 3py -0.126236 0.270920 0.267036 0.694023 0.066626 0.311664 27O 1dz2 0.000787 0.000469 -0.000705 -0.002442 -0.002366 -0.001813 27O 1dxz -0.001371 0.001304 0.001642 -0.001005 -0.000198 0.002573 27O 1dyz 0.001179 -0.002511 -0.000513 -0.002823 -0.002497 0.000328 27O 1dx2y2 -0.000236 -0.001238 0.000637 0.002047 0.004618 0.003202 27O 1dxy 0.000592 0.001359 0.001602 0.000236 -0.000229 0.001390 27O 2dz2 0.007673 0.010813 0.004129 0.006505 0.004173 -0.000797 27O 2dxz 0.000774 0.010873 0.006869 0.004597 0.008058 -0.003117 27O 2dyz -0.000140 0.008765 -0.002509 0.001656 0.000058 -0.018361 27O 2dx2y2 -0.018439 -0.000119 0.005177 -0.006345 -0.025474 0.008496 27O 2dxy 0.008356 0.005047 -0.003214 -0.000998 -0.002691 -0.012613 27O 1f0 0.000197 0.000757 0.000163 0.000920 -0.000336 -0.000761 27O 1f+1 -0.000804 0.000032 0.000346 -0.000219 -0.001171 -0.000134 27O 1f-1 0.000180 -0.000272 -0.000337 0.000005 0.000103 -0.000230 27O 1f+2 -0.000609 -0.000574 -0.000702 0.000772 -0.000049 0.000173 27O 1f-2 -0.000202 0.000180 0.000078 0.000929 0.000009 -0.000049 27O 1f+3 -0.000718 -0.000746 -0.000314 -0.000996 -0.002322 0.000021 27O 1f-3 0.000124 -0.000175 -0.000013 -0.000189 -0.000183 0.000300 28O 1s -0.003580 0.001799 -0.000265 -0.004485 -0.005407 -0.000871 28O 2s -0.008677 0.003851 -0.000001 -0.011950 -0.012429 -0.001953 28O 3s 0.014494 0.002685 -0.010564 0.036356 0.005005 -0.003720 28O 4s 0.023413 -0.079770 0.083875 -0.117224 0.077604 0.048513 28O 5s 0.061130 0.490954 -0.272422 1.356987 0.400577 -0.008616 28O 1pz 0.021639 -0.026339 0.033226 -0.015977 0.012631 -0.019739 28O 1px -0.010745 -0.051737 0.045332 -0.049221 -0.031023 0.018781 28O 1py -0.030693 0.016874 -0.025719 0.005303 -0.018379 -0.034581 28O 2pz 0.033587 -0.059875 0.058159 -0.084939 -0.032207 -0.033443 28O 2px -0.026958 -0.068093 0.064770 -0.078391 -0.016907 0.055825 28O 2py -0.044940 0.017402 -0.048693 -0.008802 -0.040294 -0.048351 28O 3pz 0.058564 0.111460 -0.057591 0.247062 -0.095928 -0.328941 28O 3px 0.035611 0.225747 -0.155896 0.817090 0.565898 0.072994 28O 3py 0.028667 -0.003084 0.090682 0.265438 0.107656 -0.058283 28O 1dz2 0.000196 0.001784 -0.000424 0.000793 -0.000644 -0.000697 28O 1dxz -0.001482 -0.001182 -0.001038 0.001886 0.004697 0.004396 28O 1dyz -0.001172 -0.000668 0.001453 -0.002708 -0.001048 0.001221 28O 1dx2y2 0.000161 -0.000185 0.000524 -0.003802 -0.005186 -0.001405 28O 1dxy -0.000371 0.000697 -0.000370 -0.001722 -0.001673 0.000276 28O 2dz2 -0.013393 0.002814 0.005503 -0.002148 -0.001194 0.002956 28O 2dxz -0.003729 -0.007467 0.002922 -0.007053 -0.020510 -0.010097 28O 2dyz 0.006581 -0.002793 0.001113 -0.004077 -0.006645 -0.013130 28O 2dx2y2 -0.001904 0.014819 -0.007578 0.015986 0.025973 0.001530 28O 2dxy 0.005319 0.001591 -0.001894 0.002565 -0.004578 -0.008822 28O 1f0 0.000627 0.000711 -0.000443 0.000440 0.000841 -0.000401 28O 1f+1 -0.000612 -0.000099 0.001083 -0.000198 0.001615 0.001031 28O 1f-1 -0.000101 0.000207 0.000347 0.001351 0.000528 -0.001031 28O 1f+2 -0.000192 -0.000649 0.000755 -0.000798 -0.002151 -0.000596 28O 1f-2 -0.000192 -0.000242 0.000126 0.000075 -0.000579 -0.000081 28O 1f+3 -0.000336 -0.000649 0.000314 -0.000326 -0.001501 -0.000440 28O 1f-3 -0.000097 -0.000298 -0.000353 0.000092 -0.000105 0.000870 29O 1s 0.010796 -0.007062 0.003657 0.006390 -0.021927 0.001366 29O 2s 0.024269 -0.016000 0.008310 0.014258 -0.049949 0.003142 29O 3s -0.003653 0.004343 -0.003840 -0.001002 0.021998 -0.002736 29O 4s -0.252104 0.149031 -0.086936 -0.166265 0.496919 -0.033522 29O 5s 0.009522 0.063040 0.069025 0.094033 -0.190604 0.065428 29O 1pz 0.004179 0.017388 0.019497 0.077689 -0.025674 0.015285 29O 1px -0.026678 0.022981 -0.003641 0.012550 0.072374 -0.006402 29O 1py -0.016909 0.020984 -0.000126 -0.010665 0.065334 -0.001268 29O 2pz 0.012988 0.021434 0.062857 0.155940 -0.075798 0.063549 29O 2px -0.078745 0.065749 -0.003188 0.017998 0.234524 -0.014500 29O 2py -0.040871 0.053095 -0.005058 -0.018911 0.168530 -0.012346 29O 3pz -0.030925 -0.044407 0.034038 -0.076982 0.234770 -0.171168 29O 3px 0.089266 -0.098396 0.085194 0.028589 -0.749090 0.116718 29O 3py 0.318702 -0.293864 0.012781 0.100382 -0.597128 -0.002640 29O 1dz2 0.001448 -0.000825 0.001394 0.003055 -0.000678 -0.000346 29O 1dxz 0.001446 -0.001137 -0.000402 -0.001291 -0.000623 -0.000127 29O 1dyz -0.000491 -0.000028 0.002091 0.002830 0.000462 -0.000133 29O 1dx2y2 -0.000260 0.000355 0.000194 -0.000421 0.000336 0.000314 29O 1dxy -0.001263 0.000667 0.000688 0.000570 -0.000870 0.000762 29O 2dz2 0.004209 0.003094 -0.013554 0.001558 -0.003849 -0.013043 29O 2dxz -0.001534 -0.006253 0.017748 -0.002217 -0.004273 0.014361 29O 2dyz -0.002213 0.006881 -0.006191 0.000272 0.008009 -0.001822 29O 2dx2y2 -0.003652 -0.001679 0.001944 -0.007902 0.011261 0.002472 29O 2dxy 0.013200 -0.010836 -0.005756 0.001118 -0.028193 -0.000918 29O 1f0 0.001444 -0.001253 0.000292 0.000574 -0.001597 -0.000099 29O 1f+1 -0.000854 0.000336 0.001115 0.000025 0.000719 0.001065 29O 1f-1 0.001539 -0.001671 0.000912 0.000354 -0.002119 0.000658 29O 1f+2 -0.000553 0.000937 -0.000848 0.000319 0.000714 -0.000784 29O 1f-2 0.001462 -0.000712 -0.001476 0.000272 -0.001773 -0.001127 29O 1f+3 -0.000881 0.000352 0.000547 -0.000541 0.001367 0.000497 29O 1f-3 -0.000532 0.000186 0.000574 -0.000221 0.000273 0.000556 30O 1s 0.002797 -0.000398 0.000525 0.001223 0.002370 -0.003061 30O 2s 0.006953 -0.000664 0.000995 0.004118 0.006322 -0.008234 30O 3s -0.017129 -0.001167 0.005771 -0.025413 -0.022468 0.021088 30O 4s -0.007519 0.055670 -0.016309 0.145808 0.028482 -0.062791 30O 5s 0.105753 -0.860614 -0.352648 -1.263969 0.462322 1.043113 30O 1pz -0.037175 0.008015 0.041778 -0.042423 -0.000792 0.000718 30O 1px 0.005395 0.064127 0.045192 0.030795 0.028172 -0.025321 30O 1py 0.008254 -0.011929 0.033506 -0.024617 -0.005086 0.053062 30O 2pz -0.065808 0.040180 0.108938 -0.039558 -0.008971 -0.029907 30O 2px 0.021422 0.069656 0.044867 0.049178 0.055286 -0.007042 30O 2py 0.040931 -0.074004 0.018662 -0.111098 0.035647 0.104408 30O 3pz -0.124833 0.199173 -0.120295 0.043120 -0.386740 -0.341045 30O 3px 0.305334 -0.538087 -0.300944 -0.726423 0.494680 0.536418 30O 3py 0.141714 0.045499 -0.105740 0.500048 0.146724 0.133744 30O 1dz2 0.002207 -0.001092 -0.002254 -0.001429 0.001110 -0.000257 30O 1dxz 0.001923 -0.002022 -0.001310 -0.001958 0.001177 0.005590 30O 1dyz 0.000636 -0.000305 -0.000747 -0.002030 -0.000258 0.003330 30O 1dx2y2 -0.002832 0.003233 0.001209 0.002444 -0.000592 -0.001628 30O 1dxy -0.002264 -0.000587 0.002331 -0.000809 -0.000255 -0.002669 30O 2dz2 0.005647 -0.000053 0.006508 0.008508 -0.000642 0.006624 30O 2dxz -0.003778 0.018337 0.013003 0.011249 -0.018165 -0.018839 30O 2dyz 0.004037 0.009219 0.006646 0.003856 -0.002142 -0.001015 30O 2dx2y2 0.002993 -0.016047 -0.007677 -0.002423 -0.003946 0.011152 30O 2dxy 0.012087 -0.020828 -0.013049 -0.004706 0.014891 0.018476 30O 1f0 0.000611 -0.001141 -0.001189 0.000911 0.000746 0.000871 30O 1f+1 0.000527 -0.000399 0.000659 0.000118 -0.000181 0.000727 30O 1f-1 0.000151 -0.000219 -0.000023 0.000574 0.000290 0.000786 30O 1f+2 0.000136 0.000990 0.000496 0.001586 0.000429 -0.000189 30O 1f-2 -0.000896 0.001333 0.000563 0.000445 -0.001729 -0.001077 30O 1f+3 0.000649 0.000284 -0.000555 -0.000280 0.001706 -0.000083 30O 1f-3 -0.000438 0.001632 0.001237 0.000500 -0.000429 -0.001423 31O 1s 0.002606 -0.000226 -0.000372 0.001395 -0.002469 -0.003018 31O 2s 0.006464 -0.000259 -0.000630 0.004549 -0.006631 -0.008056 31O 3s -0.015889 -0.001656 -0.006554 -0.026358 0.023092 0.019040 31O 4s -0.007845 0.053366 0.013334 0.145135 -0.037022 -0.057142 31O 5s 0.111340 -0.843682 0.400216 -1.254856 -0.288177 1.117325 31O 1pz 0.034436 -0.006956 0.043031 0.042179 -0.001332 -0.000313 31O 1px -0.004667 -0.063555 0.047599 -0.031068 0.033618 0.022569 31O 1py -0.010931 0.012660 0.032553 0.024676 -0.011083 -0.053799 31O 2pz 0.060175 -0.037356 0.113059 0.039144 -0.001508 0.032834 31O 2px -0.020321 -0.068814 0.045880 -0.050425 0.055443 0.000816 31O 2py -0.045181 0.074006 0.014310 0.110844 0.020158 -0.112479 31O 3pz 0.135638 -0.202652 -0.102086 -0.035549 -0.333010 0.392821 31O 3px -0.292374 0.527275 -0.338062 0.723016 0.400990 -0.625028 31O 3py -0.121253 -0.048648 -0.121039 -0.506152 0.115582 -0.153108 31O 1dz2 0.002079 -0.001102 0.002387 -0.001433 -0.001057 -0.000047 31O 1dxz 0.001983 -0.002096 0.001557 -0.001977 -0.000277 0.005921 31O 1dyz 0.000574 -0.000372 0.000828 -0.002072 0.000673 0.003498 31O 1dx2y2 -0.002856 0.003199 -0.001479 0.002455 0.000228 -0.001831 31O 1dxy -0.002055 -0.000562 -0.002514 -0.000789 -0.000220 -0.002857 31O 2dz2 0.005329 0.000079 -0.006169 0.008492 0.001169 0.006701 31O 2dxz -0.004085 0.018408 -0.014224 0.010887 0.013937 -0.021690 31O 2dyz 0.003957 0.009065 -0.006871 0.003628 0.000918 -0.001438 31O 2dx2y2 0.003094 -0.016026 0.008336 -0.002576 0.005599 0.011313 31O 2dxy 0.011726 -0.020494 0.014800 -0.004398 -0.010511 0.021066 31O 1f0 -0.000607 0.001134 -0.001281 -0.000939 0.000531 -0.000986 31O 1f+1 -0.000506 0.000384 0.000608 -0.000121 -0.000292 -0.000716 31O 1f-1 -0.000159 0.000196 -0.000042 -0.000580 0.000136 -0.000810 31O 1f+2 -0.000135 -0.001014 0.000503 -0.001604 0.000467 0.000184 31O 1f-2 0.000876 -0.001321 0.000670 -0.000408 -0.001452 0.001354 31O 1f+3 -0.000615 -0.000292 -0.000589 0.000239 0.001664 -0.000126 31O 1f-3 0.000468 -0.001646 0.001313 -0.000486 -0.000133 0.001524 32O 1s 0.011243 -0.007141 -0.002816 0.006229 0.021867 -0.001873 32O 2s 0.025291 -0.016188 -0.006429 0.013874 0.049831 -0.004227 32O 3s -0.004194 0.004594 0.003730 -0.000566 -0.022360 0.000387 32O 4s -0.261501 0.149678 0.066209 -0.164982 -0.494455 0.043754 32O 5s 0.010543 0.065929 -0.065478 0.102034 0.192587 0.013924 32O 1pz -0.003616 -0.017852 0.017895 -0.074105 -0.029856 -0.013863 32O 1px 0.028787 -0.023439 -0.002125 -0.011555 0.071434 -0.005374 32O 1py 0.017290 -0.022304 0.001048 0.005780 0.065132 -0.003710 32O 2pz -0.011241 -0.023078 0.059478 -0.148561 -0.090088 -0.057261 32O 2px 0.083990 -0.067469 0.001330 -0.017887 0.230992 -0.020916 32O 2py 0.041816 -0.055684 -0.001447 0.008678 0.169167 -0.003675 32O 3pz 0.048537 0.031858 0.041984 0.066406 0.257688 0.136942 32O 3px -0.093066 0.097188 0.081338 -0.022655 -0.752597 -0.004290 32O 3py -0.327203 0.301301 -0.008615 -0.081179 -0.593149 0.063296 32O 1dz2 0.001469 -0.000782 -0.001182 0.002902 0.000773 -0.000367 32O 1dxz 0.001582 -0.001214 0.000571 -0.001329 0.000496 -0.000206 32O 1dyz -0.000642 0.000086 -0.002178 0.002877 -0.000252 0.000015 32O 1dx2y2 -0.000217 0.000337 -0.000153 -0.000446 -0.000326 0.000250 32O 1dxy -0.001337 0.000709 -0.000765 0.000506 0.001037 0.000600 32O 2dz2 0.004796 0.002225 0.013382 0.001074 0.001619 -0.013442 32O 2dxz -0.002448 -0.005404 -0.017994 -0.002054 0.006438 0.013262 32O 2dyz -0.001549 0.006599 0.006563 0.000233 -0.008496 -0.001380 32O 2dx2y2 -0.004354 -0.001412 -0.002559 -0.008164 -0.010811 0.004322 32O 2dxy 0.013259 -0.011381 0.006342 0.000002 0.027443 -0.003587 32O 1f0 -0.001336 0.001148 0.000163 -0.000488 -0.001456 0.000253 32O 1f+1 0.000987 -0.000448 0.001203 -0.000050 0.000609 -0.001160 32O 1f-1 -0.001576 0.001668 0.000767 -0.000366 -0.002279 -0.000366 32O 1f+2 0.000616 -0.000983 -0.000806 -0.000300 0.000950 0.000677 32O 1f-2 -0.001509 0.000754 -0.001582 -0.000219 -0.001500 0.001289 32O 1f+3 0.000874 -0.000361 0.000553 0.000517 0.001212 -0.000604 32O 1f-3 0.000572 -0.000186 0.000650 0.000239 0.000154 -0.000610 33O 1s -0.003584 0.001825 0.000044 -0.004597 0.005465 -0.001372 33O 2s -0.008717 0.003922 -0.000503 -0.012209 0.012583 -0.003143 33O 3s 0.015108 0.002431 0.010919 0.036410 -0.006094 -0.002636 33O 4s 0.020526 -0.079360 -0.079042 -0.116017 -0.074893 0.050759 33O 5s 0.054826 0.496368 0.257697 1.374795 -0.371381 0.057926 33O 1pz -0.023242 0.027022 0.030861 0.015660 0.014566 0.018909 33O 1px 0.010825 0.051175 0.044548 0.050416 -0.031815 -0.016192 33O 1py 0.035413 -0.017381 -0.023159 -0.004146 -0.013390 0.037344 33O 2pz -0.036745 0.061051 0.053958 0.085784 -0.024061 0.036464 33O 2px 0.026775 0.067526 0.064286 0.078621 -0.023161 -0.055892 33O 2py 0.052956 -0.018659 -0.044908 0.010788 -0.031858 0.053565 33O 3pz -0.064792 -0.108566 -0.053335 -0.240441 -0.069402 0.353255 33O 3px -0.021651 -0.233942 -0.148711 -0.831468 0.533217 -0.137365 33O 3py -0.040900 0.007626 0.083637 -0.267867 0.094021 0.049413 33O 1dz2 0.000231 0.001714 0.000359 0.000749 0.000726 -0.000881 33O 1dxz -0.001499 -0.001160 0.000998 0.002047 -0.004110 0.004920 33O 1dyz -0.001175 -0.000626 -0.001420 -0.002740 0.001269 0.001009 33O 1dx2y2 0.000194 -0.000187 -0.000478 -0.003932 0.004844 -0.001904 33O 1dxy -0.000411 0.000670 0.000236 -0.001745 0.001480 0.000133 33O 2dz2 -0.014082 0.003153 -0.006037 -0.001947 0.001683 0.002830 33O 2dxz -0.003521 -0.007281 -0.002918 -0.007691 0.018055 -0.012388 33O 2dyz 0.006639 -0.002931 -0.000876 -0.004009 0.004870 -0.013777 33O 2dx2y2 -0.002171 0.015129 0.007193 0.016684 -0.025279 0.004377 33O 2dxy 0.005542 0.001252 0.002279 0.002523 0.003361 -0.009310 33O 1f0 -0.000672 -0.000671 -0.000435 -0.000467 0.000889 0.000316 33O 1f+1 0.000666 0.000071 0.001101 0.000161 0.001433 -0.001244 33O 1f-1 0.000094 -0.000210 0.000354 -0.001366 0.000603 0.000973 33O 1f+2 0.000163 0.000656 0.000758 0.000867 -0.001977 0.000819 33O 1f-2 0.000226 0.000235 0.000146 -0.000064 -0.000560 0.000148 33O 1f+3 0.000364 0.000644 0.000323 0.000364 -0.001409 0.000600 33O 1f-3 0.000104 0.000295 -0.000353 -0.000092 -0.000233 -0.000872 34O 1s -0.006612 0.002365 0.000303 0.001464 -0.004680 0.005362 34O 2s -0.015748 0.005816 0.000314 0.004502 -0.010998 0.013105 34O 3s 0.020554 -0.012183 0.005875 -0.023198 0.010545 -0.018627 34O 4s 0.095395 0.021514 -0.046011 0.132651 0.035224 -0.075446 34O 5s -0.268357 -0.393677 0.130211 -1.113970 0.289288 0.046209 34O 1pz -0.026829 0.011440 -0.019005 0.011194 0.012688 0.053887 34O 1px 0.028265 0.051745 -0.015575 0.028387 -0.041854 -0.041841 34O 1py 0.001779 -0.000622 -0.044342 0.031581 -0.010082 0.098073 34O 2pz -0.042695 0.017867 -0.050842 0.008779 0.041508 0.107440 34O 2px 0.004830 0.059101 -0.018808 0.014755 -0.024151 -0.055327 34O 2py -0.001062 0.026289 -0.094130 0.115293 -0.009894 0.177204 34O 3pz 0.045293 0.070957 0.176942 0.339061 -0.233574 -0.315323 34O 3px -0.097984 -0.010076 -0.017067 -0.417981 0.303790 -0.166567 34O 3py 0.123345 -0.266946 0.269012 -0.696758 0.004248 -0.324715 34O 1dz2 0.000731 0.000415 0.000732 -0.002424 0.002033 -0.002288 34O 1dxz -0.001156 0.001230 -0.001769 -0.001011 0.000405 0.002523 34O 1dyz 0.001167 -0.002519 0.000609 -0.002855 0.002504 0.000007 34O 1dx2y2 -0.000090 -0.001241 -0.000582 0.002056 -0.004041 0.003992 34O 1dxy 0.000562 0.001277 -0.001530 0.000262 0.000539 0.001269 34O 2dz2 0.006922 0.011004 -0.003845 0.006358 -0.002938 0.000424 34O 2dxz 0.000191 0.010998 -0.007072 0.004702 -0.008147 -0.001930 34O 2dyz -0.000125 0.008656 0.002208 0.001685 -0.002931 -0.018570 34O 2dx2y2 -0.018309 0.000128 -0.006375 -0.006425 0.025870 0.004338 34O 2dxy 0.008145 0.004899 0.003660 -0.001115 0.001567 -0.012485 34O 1f0 -0.000140 -0.000793 0.000171 -0.000904 -0.000269 0.000783 34O 1f+1 0.000784 -0.000030 0.000408 0.000210 -0.001111 0.000349 34O 1f-1 -0.000210 0.000282 -0.000353 -0.000003 0.000141 0.000191 34O 1f+2 0.000515 0.000602 -0.000692 -0.000767 -0.000077 -0.000180 34O 1f-2 0.000209 -0.000215 0.000079 -0.000929 -0.000013 0.000027 34O 1f+3 0.000749 0.000741 -0.000258 0.001006 -0.002252 0.000346 34O 1f-3 -0.000090 0.000183 -0.000045 0.000210 -0.000274 -0.000373 35O 1s 0.001364 -0.000345 0.000871 -0.000200 0.001207 0.004243 35O 2s 0.003303 -0.001004 0.002175 -0.001445 0.003385 0.010566 35O 3s -0.006346 0.007070 -0.005764 0.018863 -0.015016 -0.016146 35O 4s -0.039249 -0.044985 -0.037271 -0.153161 0.031223 0.010705 35O 5s 0.455898 0.436917 0.430712 1.079635 0.391016 -1.093284 35O 1pz 0.027190 -0.011028 -0.002608 0.044330 -0.012049 -0.012661 35O 1px -0.043122 -0.063323 -0.060661 -0.030293 0.012854 0.045027 35O 1py 0.000842 -0.015179 0.031604 -0.034387 -0.018337 -0.092466 35O 2pz 0.053367 0.006200 -0.022368 0.131380 -0.007578 -0.036527 35O 2px -0.022102 -0.069088 -0.061284 -0.010115 0.039182 0.023454 35O 2py 0.022419 -0.013909 0.091495 -0.037369 0.000390 -0.230834 35O 3pz -0.089627 -0.232248 0.153351 -0.746263 0.020838 0.224581 35O 3px 0.305285 -0.071756 0.368661 0.493393 0.485495 -0.830131 35O 3py 0.076332 -0.146852 -0.156603 0.001510 0.154891 0.370823 35O 1dz2 0.000651 -0.001914 0.001941 0.000267 0.000979 -0.002976 35O 1dxz 0.002818 -0.000216 -0.001210 0.002721 0.001103 -0.000084 35O 1dyz -0.000081 -0.000577 -0.000983 -0.002150 -0.000154 0.001162 35O 1dx2y2 -0.001131 0.000901 -0.003718 -0.003301 0.000584 0.006542 35O 1dxy -0.000879 0.002134 -0.000147 -0.002779 -0.000795 0.001867 35O 2dz2 -0.005244 -0.001400 -0.019953 -0.002191 -0.015048 0.030252 35O 2dxz 0.007606 -0.001181 -0.004817 -0.001877 0.004711 -0.000292 35O 2dyz -0.004086 0.013221 0.004726 -0.003421 0.005467 0.005760 35O 2dx2y2 0.024793 0.007788 0.011535 0.011608 0.002699 -0.012914 35O 2dxy 0.008496 0.010274 0.018055 0.004977 0.007943 -0.012304 35O 1f0 -0.000465 0.000573 0.000539 0.000274 -0.000272 0.000223 35O 1f+1 -0.001414 0.000058 -0.000783 -0.000520 -0.000410 0.001572 35O 1f-1 0.000194 -0.000376 -0.000107 -0.000733 -0.001119 0.000515 35O 1f+2 -0.000211 -0.000113 -0.000210 0.000382 0.000155 -0.000748 35O 1f-2 0.000255 -0.000582 -0.000303 -0.000848 0.000948 -0.000141 35O 1f+3 -0.001221 -0.000693 -0.000492 -0.000616 0.001287 0.000599 35O 1f-3 -0.001131 0.000034 -0.001736 -0.000172 -0.001378 0.002153 204 205 206 207 208 209 0.50533 0.50541 0.50825 0.51135 0.51173 0.51807 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s -0.002852 0.000682 0.000185 -0.004511 -0.004108 -0.002854 0Rh 2s 0.011233 -0.002029 -0.001398 0.013837 0.016504 0.009469 0Rh 3s -0.009672 0.002718 0.000214 -0.017727 -0.013731 -0.010774 0Rh 4s -0.050497 0.008821 0.006597 -0.060436 -0.074363 -0.041812 0Rh 5s 0.046336 -0.002450 -0.011894 0.021798 0.070910 0.023462 0Rh 6s 0.073973 -0.036037 0.014598 0.226820 0.099053 0.122277 0Rh 7s 0.032612 0.107810 -0.085076 -0.985453 0.001117 -0.453050 0Rh 8s -0.769018 0.238781 -0.115283 0.539492 -1.034856 0.282290 0Rh 1pz 0.001218 0.002819 -0.005248 -0.005121 0.000558 0.012744 0Rh 1px -0.002385 0.001359 -0.000818 -0.003963 -0.004755 0.002502 0Rh 1py -0.000156 0.000613 -0.004014 -0.004198 0.000758 -0.005293 0Rh 2pz -0.004084 -0.009542 0.018186 0.017589 -0.001870 -0.044098 0Rh 2px 0.008400 -0.004616 0.002821 0.014194 0.016729 -0.008192 0Rh 2py 0.000864 -0.002004 0.013530 0.014781 -0.002801 0.018250 0Rh 3pz 0.001278 0.004865 -0.017702 -0.014074 0.000549 0.041597 0Rh 3px -0.010778 0.002574 -0.002481 -0.022847 -0.021088 -0.001373 0Rh 3py -0.007059 -0.000284 -0.005893 -0.018860 0.006096 -0.015927 0Rh 4pz 0.015884 0.028652 -0.021082 -0.032953 0.007180 0.056615 0Rh 4px 0.000716 0.013616 -0.004527 0.020151 -0.000368 0.046994 0Rh 4py 0.022836 0.010191 -0.043873 0.000138 -0.010166 -0.028480 0Rh 5pz -0.023220 -0.038750 0.001219 0.036462 -0.006335 -0.014919 0Rh 5px -0.025955 -0.022639 0.006465 -0.089508 -0.046174 -0.088695 0Rh 5py -0.042380 -0.005990 0.053750 -0.029946 0.028651 0.014096 0Rh 6pz 0.059807 0.502256 -0.181923 -0.763534 -0.341684 0.503240 0Rh 6px 0.268811 0.260016 -0.163262 0.636385 0.530265 0.857403 0Rh 6py 0.051172 -0.241085 -0.426562 -0.133443 -0.236994 -0.208736 0Rh 1dz2 0.003649 0.029617 0.016403 0.003276 -0.004148 0.000865 0Rh 1dxz 0.002991 0.006625 0.010824 0.008607 -0.002691 0.004434 0Rh 1dyz -0.014648 -0.010805 -0.014282 0.006955 0.007123 0.001390 0Rh 1dx2y2 0.004250 0.018324 0.006401 -0.009830 0.010834 -0.011935 0Rh 1dxy 0.007133 -0.005608 0.009733 -0.010673 -0.001572 -0.000286 0Rh 2dz2 -0.000479 -0.003204 -0.000570 0.000208 -0.000292 -0.001664 0Rh 2dxz -0.001220 0.000092 -0.002013 -0.001894 0.000276 0.001351 0Rh 2dyz 0.001060 0.000795 0.001812 -0.001003 -0.000642 0.000789 0Rh 2dx2y2 0.000103 -0.001849 -0.000464 0.001068 0.000037 0.002307 0Rh 2dxy -0.000233 0.000289 -0.001298 0.000446 0.000633 -0.000641 0Rh 3dz2 -0.004913 -0.042797 -0.028793 -0.007008 0.009127 0.005411 0Rh 3dxz -0.000566 -0.013025 -0.012132 -0.008305 0.004061 -0.014050 0Rh 3dyz 0.023179 0.017117 0.019420 -0.008969 -0.010742 -0.005878 0Rh 3dx2y2 -0.008626 -0.027018 -0.010215 0.014057 -0.020738 0.012885 0Rh 3dxy -0.012606 0.009424 -0.013078 0.018414 0.000335 0.003219 0Rh 4dz2 -0.011042 -0.075345 -0.024277 0.000051 -0.000654 -0.024490 0Rh 4dxz -0.020584 -0.005029 -0.039633 -0.035286 0.004422 0.015241 0Rh 4dyz 0.032251 0.023809 0.042039 -0.021406 -0.017634 0.008662 0Rh 4dx2y2 -0.000637 -0.045016 -0.013594 0.023864 -0.009201 0.044727 0Rh 4dxy -0.010274 0.009983 -0.028030 0.016062 0.011109 -0.009437 0Rh 5dz2 0.025768 0.038272 -0.087756 -0.048853 0.070038 0.121519 0Rh 5dxz 0.078434 -0.055037 0.080061 0.074688 0.042180 -0.143550 0Rh 5dyz -0.008875 -0.000969 -0.086876 0.032492 0.017437 -0.048362 0Rh 5dx2y2 -0.079051 0.009057 -0.003410 0.016809 -0.116514 -0.087871 0Rh 5dxy -0.040550 0.020091 0.018809 0.065738 -0.048516 0.060851 0Rh 1f0 0.000586 -0.000364 0.003823 -0.000292 -0.004419 -0.002145 0Rh 1f+1 -0.000565 -0.000226 0.005725 -0.000404 0.006595 -0.009009 0Rh 1f-1 0.001539 -0.004555 0.001442 -0.008357 -0.002375 0.005036 0Rh 1f+2 0.007376 0.000711 0.003340 -0.005116 0.006212 -0.005341 0Rh 1f-2 -0.009965 -0.003034 0.004009 -0.004223 0.009333 0.002454 0Rh 1f+3 0.004149 -0.002805 -0.001658 -0.004610 0.005468 -0.003147 0Rh 1f-3 0.009305 0.000951 -0.003006 0.001827 -0.000608 -0.001890 1Rh 1s 0.002895 -0.000877 -0.000158 -0.003518 0.004859 -0.002981 1Rh 2s -0.011070 0.003877 0.000013 0.010049 -0.018778 0.009814 1Rh 3s 0.010023 -0.002713 -0.000916 -0.014286 0.016704 -0.011302 1Rh 4s 0.049611 -0.017623 0.000230 -0.043458 0.084274 -0.043297 1Rh 5s -0.042680 0.019827 -0.005575 0.007278 -0.074137 0.023510 1Rh 6s -0.084278 0.010821 0.022029 0.197384 -0.137647 0.129851 1Rh 7s 0.032427 0.061242 -0.068120 -0.934993 0.171014 -0.501652 1Rh 8s 0.763976 -0.142605 -0.210517 0.735446 0.911438 0.287646 1Rh 1pz 0.000369 -0.003141 0.005256 0.005204 -0.000184 -0.012802 1Rh 1px -0.002526 -0.000078 0.001191 0.002921 -0.005394 -0.002448 1Rh 1py -0.000262 -0.000611 0.004064 0.004343 0.000056 0.005134 1Rh 2pz -0.001285 0.010631 -0.018216 -0.017858 0.000671 0.044299 1Rh 2px 0.008833 0.000101 -0.004124 -0.010511 0.019019 0.007983 1Rh 2py 0.001163 0.001866 -0.013710 -0.015315 -0.000300 -0.017697 1Rh 3pz 0.001264 -0.005387 0.017835 0.013967 -0.001282 -0.041802 1Rh 3px -0.010088 0.003287 0.003941 0.017876 -0.024845 0.002010 1Rh 3py -0.006061 0.002973 0.006209 0.019993 0.002350 0.015383 1Rh 4pz 0.001865 -0.032280 0.020645 0.034654 0.001600 -0.056751 1Rh 4px -0.004588 -0.014235 0.005297 -0.018869 0.003253 -0.048535 1Rh 4py 0.017924 -0.019892 0.043549 -0.001977 -0.007998 0.027900 1Rh 5pz -0.000459 0.043651 0.000063 -0.037795 0.000892 0.014070 1Rh 5px -0.012577 0.037158 -0.004766 0.075813 -0.062166 0.093420 1Rh 5py -0.038574 0.024188 -0.052753 0.035430 0.019723 -0.014670 1Rh 6pz -0.167111 -0.470635 0.179975 0.669721 -0.469930 -0.474584 1Rh 6px 0.110896 -0.441984 0.157043 -0.473919 0.648620 -0.937493 1Rh 6py 0.199625 0.194544 0.423695 0.082872 -0.250403 0.220674 1Rh 1dz2 0.011768 0.027557 0.015751 0.004244 0.003625 0.000987 1Rh 1dxz 0.000479 0.007076 0.010582 0.008693 0.001216 0.004424 1Rh 1dyz 0.007264 -0.016061 -0.014483 0.005423 -0.008820 0.001677 1Rh 1dx2y2 0.005355 0.018595 0.006341 -0.012245 -0.008932 -0.011375 1Rh 1dxy -0.008553 -0.002526 0.010099 -0.009777 0.004101 -0.000423 1Rh 2dz2 -0.001100 -0.003023 -0.000545 0.000250 0.000290 -0.001687 1Rh 2dxz 0.001021 -0.000476 -0.002075 -0.001888 0.000024 0.001362 1Rh 2dyz -0.000509 0.001160 0.001814 -0.000852 0.000898 0.000764 1Rh 2dx2y2 -0.001036 -0.001617 -0.000389 0.001085 -0.000193 0.002263 1Rh 2dxy 0.000296 0.000224 -0.001294 0.000272 -0.000771 -0.000626 1Rh 3dz2 -0.017738 -0.039642 -0.027658 -0.009026 -0.008142 0.005272 1Rh 3dxz -0.005217 -0.011495 -0.011409 -0.008515 -0.002535 -0.014075 1Rh 3dyz -0.011526 0.025484 0.019790 -0.006711 0.012880 -0.006317 1Rh 3dx2y2 -0.005699 -0.028566 -0.010426 0.018576 0.017808 0.012004 1Rh 3dxy 0.015032 0.003825 -0.013794 0.017441 -0.004567 0.003415 1Rh 4dz2 -0.026992 -0.070984 -0.023334 -0.000215 0.001072 -0.024889 1Rh 4dxz 0.014379 -0.013649 -0.040338 -0.034833 0.001202 0.015382 1Rh 4dyz -0.015918 0.035264 0.042283 -0.017444 0.023089 0.008025 1Rh 4dx2y2 -0.022193 -0.040937 -0.012245 0.026318 0.005271 0.043504 1Rh 4dxy 0.012663 0.006088 -0.028293 0.012597 -0.015367 -0.009083 1Rh 5dz2 -0.011012 0.046386 -0.083147 -0.062401 -0.064827 0.121783 1Rh 5dxz -0.086843 -0.012817 0.088081 0.064882 -0.051823 -0.143959 1Rh 5dyz 0.006469 -0.004766 -0.085518 0.027691 -0.028458 -0.048964 1Rh 5dx2y2 0.075822 -0.029630 -0.013151 0.039404 0.109713 -0.088253 1Rh 5dxy 0.046788 -0.001412 0.014870 0.074251 0.034933 0.060657 1Rh 1f0 0.000110 0.000062 -0.003685 -0.000517 -0.004712 0.002192 1Rh 1f+1 -0.001153 0.000586 -0.005964 0.001709 0.006078 0.008893 1Rh 1f-1 0.003820 0.003144 -0.001516 0.007777 -0.004084 -0.004954 1Rh 1f+2 0.005602 -0.004016 -0.003991 0.006361 0.004849 0.005339 1Rh 1f-2 -0.007608 0.007575 -0.003845 0.005812 0.008103 -0.002683 1Rh 1f+3 0.005098 0.000441 0.001110 0.005696 0.004624 0.003130 1Rh 1f-3 0.007790 -0.005293 0.002456 -0.001784 -0.000066 0.001973 2C 1s -0.004902 -0.003404 0.005572 0.016308 0.001341 0.008581 2C 2s -0.011715 -0.006937 0.013073 0.037610 0.003186 0.019009 2C 3s 0.009474 -0.021375 -0.010970 -0.052582 0.002345 -0.022387 2C 4s 0.017269 0.280705 -0.063667 -0.229723 -0.100564 -0.208575 2C 5s 1.853551 -1.328528 -2.277029 3.143209 -0.358228 3.901408 2C 1pz 0.012718 0.041431 -0.016784 0.019332 0.039884 0.018779 2C 1px -0.084634 -0.109347 0.145856 0.006630 -0.113374 -0.035693 2C 1py -0.041662 -0.030096 0.000618 0.040044 -0.015787 0.015171 2C 2pz 0.002976 0.132355 -0.063525 0.290918 0.124228 0.193262 2C 2px -0.337225 -0.416470 0.546437 0.109189 -0.360441 -0.132665 2C 2py -0.163342 -0.068837 0.056060 0.300884 -0.053946 0.119102 2C 3pz 0.411619 -0.421444 -0.501423 0.719418 -0.568987 0.946854 2C 3px 0.427219 0.642151 -1.225370 0.352655 0.814728 0.629944 2C 3py 0.546072 0.134317 -0.093016 0.160841 -0.125962 0.386073 2C 1dz2 -0.000044 -0.000188 0.001082 0.001557 -0.000422 0.000186 2C 1dxz 0.003819 -0.000111 -0.001265 -0.001767 -0.001245 0.002596 2C 1dyz 0.000450 0.001335 -0.002504 0.002841 0.000488 0.001987 2C 1dx2y2 0.000186 0.003298 -0.000991 -0.000444 0.002351 0.000090 2C 1dxy 0.000398 -0.001070 -0.001276 -0.000669 -0.000305 0.000602 2C 2dz2 -0.057168 -0.034134 0.073982 0.038451 -0.066269 0.039125 2C 2dxz 0.079615 0.051059 -0.050918 0.064690 0.075167 0.002215 2C 2dyz -0.035141 -0.030462 0.011401 0.102872 0.005378 0.041301 2C 2dx2y2 0.035593 0.023704 -0.015581 -0.014745 0.028524 -0.023646 2C 2dxy 0.084873 0.090578 -0.036506 0.053663 0.059984 0.018675 2C 1f0 -0.006295 -0.009192 0.003265 -0.003136 -0.009420 0.000191 2C 1f+1 -0.002006 -0.002070 0.002870 0.003646 0.001458 -0.001556 2C 1f-1 0.003344 0.004267 -0.003788 0.002433 0.000923 0.004140 2C 1f+2 0.001307 0.001713 -0.004646 0.005155 0.007554 0.001550 2C 1f-2 0.007304 0.006045 -0.006619 -0.001162 0.005239 -0.001742 2C 1f+3 -0.004762 -0.001799 0.003805 0.011609 0.002803 0.002922 2C 1f-3 -0.006790 -0.006106 0.008811 0.000970 -0.006268 -0.000688 3C 1s 0.002333 0.005266 0.003457 0.014038 -0.002253 0.001140 3C 2s 0.006154 0.010775 0.008266 0.032129 -0.005933 0.002834 3C 3s -0.013055 0.025930 -0.014702 -0.052824 0.014091 -0.036390 3C 4s 0.056692 -0.396166 -0.062568 -0.131882 -0.105587 0.206065 3C 5s -1.664472 2.635421 1.131455 2.874411 2.503501 2.014716 3C 1pz 0.036932 0.028948 0.054873 0.013012 0.030224 0.035547 3C 1px -0.078421 0.017907 -0.094900 0.078287 -0.103500 -0.149493 3C 1py -0.028680 0.007799 -0.012841 -0.005902 -0.006317 -0.043346 3C 2pz 0.138552 0.055173 0.205982 0.176812 0.094089 0.217349 3C 2px -0.223641 0.030360 -0.311719 0.354582 -0.373501 -0.516778 3C 2py -0.132726 -0.010561 -0.121894 -0.236370 0.003956 -0.254533 3C 3pz -0.452660 -0.194472 -0.446536 0.297776 0.063851 0.163614 3C 3px 0.381423 -0.063555 0.721455 -0.230800 0.698871 1.425133 3C 3py 0.685553 -0.631439 -0.160730 -0.992735 -0.554546 -0.428291 3C 1dz2 0.000314 0.000277 -0.000024 -0.000075 -0.000914 -0.001948 3C 1dxz -0.003205 0.001889 -0.001506 0.001251 0.000477 0.000579 3C 1dyz -0.001050 0.000111 -0.002050 -0.001793 0.000146 -0.001259 3C 1dx2y2 0.001258 0.001523 0.000071 -0.000988 -0.000070 0.000412 3C 1dxy 0.000666 -0.000749 0.000307 -0.001350 -0.002121 -0.003714 3C 2dz2 -0.025108 0.050020 -0.006805 -0.019749 -0.028918 -0.014837 3C 2dxz 0.017797 0.013946 0.018947 0.041415 0.035449 0.013262 3C 2dyz 0.024838 -0.023896 0.009344 -0.090431 0.047773 -0.004426 3C 2dx2y2 0.025717 -0.012212 0.034403 -0.085275 0.085761 0.010452 3C 2dxy -0.080330 0.003025 -0.101782 -0.006050 -0.102719 -0.078857 3C 1f0 -0.002359 -0.001236 -0.003186 -0.007909 0.000863 -0.001171 3C 1f+1 -0.005145 -0.000803 -0.006885 0.001860 -0.006026 -0.006413 3C 1f-1 0.000391 0.000849 0.001057 -0.003227 0.001955 -0.001626 3C 1f+2 0.005551 0.002618 0.001515 0.003548 -0.002595 -0.006976 3C 1f-2 0.001225 0.004564 0.003051 0.000021 -0.000084 0.001411 3C 1f+3 0.005978 -0.001730 0.004912 0.000285 0.005195 0.006061 3C 1f-3 0.007242 -0.004436 0.006330 -0.006690 0.010604 0.005914 4C 1s -0.003737 -0.001493 0.001304 0.004110 -0.000786 0.000040 4C 2s -0.007771 -0.003792 0.002873 0.009453 -0.002627 0.000078 4C 3s -0.006481 0.061447 -0.011588 0.047716 0.050219 0.054675 4C 4s 0.217048 -0.472716 0.030714 -0.498574 -0.364273 -0.281095 4C 5s -1.956097 -0.093420 1.800200 -2.543543 0.263364 -3.158547 4C 1pz -0.019511 -0.042661 0.005724 -0.077916 -0.017590 -0.048963 4C 1px 0.004352 0.129072 -0.147588 -0.007730 0.161611 0.014645 4C 1py 0.036841 0.085303 0.003244 -0.059756 0.027195 -0.040486 4C 2pz 0.031877 -0.139644 0.008584 -0.247483 -0.198793 -0.009763 4C 2px -0.261116 0.251214 0.067007 0.353090 0.649330 -0.424067 4C 2py -0.022978 0.033820 0.069441 -0.021889 0.084870 -0.171866 4C 3pz 0.676816 -0.270138 -0.952636 1.651783 -0.583398 1.836800 4C 3px 0.723894 -0.138486 0.037375 0.101392 -0.323238 0.163032 4C 3py 0.359910 -0.744444 -1.125836 1.174142 -0.279729 1.402538 4C 1dz2 0.005987 0.005947 -0.005416 0.001659 0.000279 0.005997 4C 1dxz -0.010002 -0.000187 0.006365 0.002981 0.000012 -0.004911 4C 1dyz 0.000718 -0.002506 -0.000634 0.004160 -0.002301 0.003092 4C 1dx2y2 -0.001263 -0.005815 0.003596 0.000107 -0.002946 -0.002609 4C 1dxy -0.005730 -0.002998 0.005902 0.003343 -0.002438 -0.001796 4C 2dz2 0.053598 -0.002610 -0.115669 -0.175956 -0.064512 0.052676 4C 2dxz -0.030468 0.006134 0.091775 0.163391 0.176622 -0.139146 4C 2dyz 0.057580 0.009801 -0.054215 -0.132549 0.023251 -0.042308 4C 2dx2y2 -0.034788 -0.059258 -0.000027 0.036422 -0.025639 -0.016786 4C 2dxy -0.064052 -0.068305 0.148599 0.075175 0.095694 -0.195311 4C 1f0 -0.000751 0.002759 -0.001532 0.003323 0.004901 0.000526 4C 1f+1 -0.000167 0.004723 -0.001724 0.007996 0.002484 0.008288 4C 1f-1 0.002790 0.002023 -0.005895 0.000811 -0.004032 0.009273 4C 1f+2 0.005233 -0.005561 -0.005234 -0.014289 -0.011562 0.002623 4C 1f-2 -0.007308 -0.003502 0.009892 0.007949 0.004445 -0.008006 4C 1f+3 0.005044 -0.003698 -0.003972 -0.008396 -0.009134 0.004801 4C 1f-3 0.007918 0.007420 -0.009380 -0.004522 -0.004900 0.014586 5C 1s 0.002085 -0.000731 0.001143 0.002441 -0.002924 0.002850 5C 2s 0.004453 -0.001654 0.002628 0.005484 -0.006322 0.006510 5C 3s -0.025868 -0.030738 0.003552 0.074946 0.004621 0.013672 5C 4s -0.005560 0.351371 -0.092763 -0.546142 0.133962 -0.204513 5C 5s 1.704803 -0.907361 -0.415619 -2.875189 -1.864829 -2.234570 5C 1pz -0.041622 -0.058871 -0.070439 -0.019983 -0.025924 -0.057001 5C 1px 0.156373 -0.038320 0.076224 -0.103040 0.043333 0.128282 5C 1py 0.022066 -0.021960 0.006192 0.060322 -0.003578 0.069462 5C 2pz -0.165614 0.036669 -0.094147 -0.034140 -0.039341 0.066660 5C 2px 0.826390 -0.266511 0.263829 -0.240294 -0.036492 -0.383050 5C 2py 0.066132 -0.093652 0.033011 0.129301 0.010709 0.005584 5C 3pz -0.376041 1.093804 0.703978 0.928768 0.516205 0.833397 5C 3px -0.455419 0.647006 0.295533 0.680893 0.808002 0.211619 5C 3py 0.602361 -0.631100 -0.397886 -1.483313 -0.879984 -1.486139 5C 1dz2 -0.000699 -0.000043 0.000751 -0.002846 0.002877 0.003974 5C 1dxz 0.001327 -0.002649 0.000253 0.002990 -0.002561 -0.004223 5C 1dyz 0.001831 -0.003355 -0.001014 -0.004336 -0.004196 -0.008742 5C 1dx2y2 0.001719 0.002487 -0.000516 -0.003568 -0.006098 -0.009559 5C 1dxy -0.000970 0.002614 0.001957 -0.003694 0.007292 0.008031 5C 2dz2 -0.078832 -0.021055 -0.006854 0.074780 0.007862 0.096647 5C 2dxz 0.032266 -0.117412 -0.022879 -0.035432 0.003435 -0.137602 5C 2dyz 0.070488 -0.055626 0.014700 0.150828 -0.015705 -0.044001 5C 2dx2y2 0.159021 -0.055129 0.019444 0.049822 -0.026360 -0.111467 5C 2dxy -0.159244 0.088916 -0.038963 0.047273 -0.050174 0.299736 5C 1f0 0.007621 -0.006229 0.000156 0.002335 -0.001011 -0.012416 5C 1f+1 -0.013608 -0.000004 -0.001796 0.003700 0.003218 0.015500 5C 1f-1 0.003379 -0.000589 -0.000606 -0.001625 -0.000844 -0.005428 5C 1f+2 -0.005470 0.002788 -0.003134 -0.003185 0.000167 0.001981 5C 1f-2 -0.009408 0.010638 -0.001582 -0.007421 0.003245 0.014018 5C 1f+3 -0.011851 0.001233 -0.000542 0.012114 0.000816 0.007074 5C 1f-3 0.004123 0.003274 -0.003346 -0.006706 -0.003269 -0.007916 6C 1s -0.002072 0.000396 0.001115 0.002970 0.002405 0.002734 6C 2s -0.004489 0.000809 0.002556 0.006608 0.005183 0.006269 6C 3s 0.011173 -0.041022 0.002998 0.072866 -0.019030 0.013550 6C 4s 0.140357 0.321403 -0.092682 -0.564661 -0.026429 -0.195478 6C 5s -1.865362 -0.084324 -0.386939 -2.388201 2.320845 -2.322306 6C 1pz -0.005136 0.071819 0.073702 0.014483 -0.025490 0.055815 6C 1px 0.147717 -0.036671 -0.088713 0.110800 0.016084 -0.123953 6C 1py 0.031251 0.008358 -0.007745 -0.059072 0.006307 -0.069013 6C 2pz -0.150430 0.045513 0.109381 0.024491 -0.038621 -0.073133 6C 2px 0.821707 -0.140819 -0.319248 0.231215 -0.101789 0.402966 6C 2py 0.095888 0.052055 -0.038291 -0.121380 0.031818 -0.004417 6C 3pz -0.833588 -0.843030 -0.695521 -0.791341 0.641377 -0.856452 6C 3px -0.706973 -0.383283 -0.293638 -0.496506 0.911910 -0.243249 6C 3py 0.766988 0.363776 0.387147 1.237674 -1.099994 1.546104 6C 1dz2 0.000752 -0.000454 0.000859 -0.003348 -0.002291 0.003965 6C 1dxz -0.002160 -0.001655 0.000301 0.003381 0.001884 -0.004229 6C 1dyz -0.003021 -0.002179 -0.001080 -0.003443 0.004837 -0.008846 6C 1dx2y2 -0.000545 0.002873 -0.000690 -0.002253 0.006545 -0.009695 6C 1dxy 0.002241 0.001561 0.002213 -0.004932 -0.006279 0.007900 6C 2dz2 0.060788 -0.056460 -0.011051 0.071851 -0.021467 0.097592 6C 2dxz -0.083921 -0.089038 -0.020506 -0.036817 0.003112 -0.136942 6C 2dyz -0.085218 -0.015611 0.019795 0.151912 -0.012724 -0.045198 6C 2dx2y2 -0.166616 0.027580 0.028484 0.054730 0.018515 -0.111795 6C 2dxy 0.172063 0.007607 -0.053155 0.055825 0.037012 0.303961 6C 1f0 0.009157 0.002069 -0.000756 -0.002455 -0.000588 0.012625 6C 1f+1 -0.011846 0.006362 0.002521 -0.002970 0.003973 -0.015686 6C 1f-1 0.003286 -0.001152 0.000387 0.001420 -0.001086 0.005523 6C 1f+2 -0.005822 0.000075 0.003571 0.003185 -0.000226 -0.002156 6C 1f-2 -0.012899 -0.005026 0.002136 0.007837 0.001914 -0.014177 6C 1f+3 -0.011164 0.004490 0.001176 -0.011715 0.003225 -0.007196 6C 1f-3 0.002546 -0.004924 0.003254 0.005897 -0.004319 0.007950 7C 1s 0.002618 -0.002822 0.001427 0.004320 0.000114 -0.000159 7C 2s 0.005120 -0.006422 0.003143 0.010069 0.001065 -0.000354 7C 3s 0.030576 0.048344 -0.011821 0.037517 -0.059680 0.054734 7C 4s -0.383271 -0.310749 0.022518 -0.430856 0.457208 -0.268930 7C 5s 1.806641 -0.940881 1.780000 -2.465533 0.311833 -3.227538 7C 1pz 0.002895 0.044890 -0.003710 0.073515 -0.032876 0.048532 7C 1px -0.051449 -0.116439 0.141113 0.039035 0.164145 -0.017167 7C 1py -0.008319 -0.091208 -0.005526 0.063149 0.016158 0.040981 7C 2pz 0.092175 0.095970 -0.002446 0.206354 -0.242855 0.009038 7C 2px -0.370104 -0.075951 -0.082774 -0.230725 0.703286 0.425588 7C 2py -0.046519 -0.016065 -0.073032 0.034809 0.077331 0.174718 7C 3pz 0.742243 -0.047449 0.944550 -1.707806 -0.200179 -1.839961 7C 3px 0.696688 -0.221855 -0.072081 -0.150088 -0.302446 -0.147552 7C 3py 0.709151 0.493021 1.114254 -1.180159 -0.004677 -1.413782 7C 1dz2 -0.002959 0.008329 -0.005032 0.001488 -0.000879 0.005948 7C 1dxz 0.008926 -0.005084 0.005770 0.003092 -0.000293 -0.005039 7C 1dyz -0.001888 -0.001850 -0.000662 0.004515 0.001515 0.003135 7C 1dx2y2 -0.001221 -0.005677 0.003288 0.000558 0.003013 -0.002453 7C 1dxy 0.004083 -0.005643 0.005467 0.003799 0.002032 -0.001774 7C 2dz2 -0.057587 0.025784 -0.118508 -0.162117 0.092138 0.055722 7C 2dxz 0.037287 -0.019661 0.097722 0.128369 -0.200012 -0.139677 7C 2dyz -0.045543 0.035687 -0.052242 -0.137797 -0.000654 -0.040057 7C 2dx2y2 0.005712 -0.067598 0.000857 0.042677 0.019467 -0.018662 7C 2dxy 0.040486 -0.094474 0.151216 0.058175 -0.102564 -0.197478 7C 1f0 -0.001885 -0.001832 0.001348 -0.002358 0.005482 -0.000459 7C 1f+1 -0.001641 -0.003895 0.001846 -0.007300 0.004059 -0.008361 7C 1f-1 0.002082 -0.003316 0.005954 -0.001506 -0.003496 -0.009246 7C 1f+2 0.007444 0.001754 0.005411 0.012031 -0.013908 -0.002739 7C 1f-2 -0.005541 0.006964 -0.009782 -0.007171 0.005459 0.008108 7C 1f+3 0.006466 0.000482 0.004035 0.006606 -0.010460 -0.004819 7C 1f-3 0.004654 -0.010535 0.009405 0.003688 -0.005232 -0.014728 8C 1s 0.000168 0.005565 0.003445 0.014336 -0.000325 0.001117 8C 2s -0.000870 0.011962 0.008278 0.032989 0.000033 0.002735 8C 3s 0.022707 0.016812 -0.015449 -0.055177 -0.004524 -0.035962 8C 4s -0.220997 -0.317050 -0.057136 -0.106521 0.126196 0.202316 8C 5s 2.595578 1.672156 1.100219 2.238358 -2.910900 2.133662 8C 1pz 0.014974 -0.041599 -0.057255 -0.006987 0.028972 -0.034910 8C 1px -0.069625 0.017953 0.104877 -0.097143 -0.080085 0.146416 8C 1py -0.028637 0.005772 0.015649 0.005009 -0.006570 0.042565 8C 2pz 0.084341 -0.110180 -0.214892 -0.155101 0.112873 -0.216212 8C 2px -0.182867 0.067007 0.343603 -0.421799 -0.277966 0.506957 8C 2py -0.110407 0.069293 0.132954 0.235375 -0.035293 0.251775 8C 3pz -0.261451 0.353838 0.466212 -0.265943 0.139454 -0.192567 8C 3px 0.334087 -0.126936 -0.778207 0.373384 0.588221 -1.417586 8C 3py 0.882132 0.280903 0.133070 0.842872 -0.716276 0.461160 8C 1dz2 -0.000068 0.000333 -0.000056 0.000152 0.000901 -0.002028 8C 1dxz 0.003497 0.000309 -0.001738 0.001085 -0.000817 0.000703 8C 1dyz 0.000877 -0.000443 -0.002112 -0.001771 0.000078 -0.001257 8C 1dx2y2 -0.000348 0.001881 0.000123 -0.000955 0.000222 0.000406 8C 1dxy -0.000935 -0.000382 0.000249 -0.000854 0.002322 -0.003738 8C 2dz2 0.045099 0.034313 -0.010143 -0.012993 0.030191 -0.015089 8C 2dxz -0.007007 0.019266 0.022089 0.034477 -0.041868 0.012497 8C 2dyz -0.029475 -0.011866 0.012477 -0.097974 -0.028948 -0.004887 8C 2dx2y2 -0.022884 -0.000681 0.041027 -0.099900 -0.065152 0.008519 8C 2dxy 0.064706 -0.031731 -0.111403 0.012748 0.095395 -0.076658 8C 1f0 -0.001501 0.002134 0.003385 0.007892 -0.000604 0.001322 8C 1f+1 -0.003597 0.002760 0.007406 -0.003162 -0.005206 0.006317 8C 1f-1 -0.000234 -0.001007 -0.001177 0.003600 0.001308 0.001539 8C 1f+2 0.003767 -0.004673 -0.001698 -0.004080 -0.001925 0.007106 8C 1f-2 -0.001098 -0.004423 -0.003059 -0.000197 -0.000210 -0.001274 8C 1f+3 0.005632 -0.001155 -0.005482 0.000514 0.004689 -0.005740 8C 1f-3 0.007787 0.000742 -0.007382 0.008644 0.008652 -0.005804 9C 1s 0.003078 -0.005703 0.005490 0.015927 -0.004265 0.008395 9C 2s 0.007870 -0.012497 0.012872 0.036750 -0.009934 0.018546 9C 3s -0.017509 -0.014626 -0.010571 -0.053128 0.007609 -0.021277 9C 4s 0.098530 0.274893 -0.067356 -0.202194 0.141512 -0.211793 9C 5s -2.304420 -0.391510 -2.216294 3.066951 -0.364402 3.946434 9C 1pz -0.008900 -0.041329 0.013117 -0.012282 0.043622 -0.017849 9C 1px -0.028981 0.137403 -0.137440 -0.029026 -0.116668 0.037169 9C 1py -0.020904 0.043859 0.002081 -0.042134 -0.007839 -0.015188 9C 2pz -0.059113 -0.113724 0.051888 -0.267226 0.181201 -0.186687 9C 2px -0.124047 0.531909 -0.517117 -0.180060 -0.358094 0.138484 9C 2py -0.108289 0.131239 -0.046735 -0.307442 0.003671 -0.116911 9C 3pz 0.599151 0.180123 0.516114 -0.782240 -0.400174 -0.958017 9C 3px 0.123222 -0.764294 1.191644 -0.179422 0.927260 -0.657833 9C 3py 0.411451 -0.346169 0.082217 -0.184162 -0.085993 -0.399524 9C 1dz2 0.000119 -0.000314 0.001068 0.001619 0.000157 0.000155 9C 1dxz -0.003539 0.001737 -0.001106 -0.001594 0.001521 0.002668 9C 1dyz 0.000035 0.001403 -0.002429 0.002686 -0.001128 0.001967 9C 1dx2y2 0.001380 0.003003 -0.000802 -0.000863 -0.002290 0.000049 9C 1dxy -0.000960 -0.000506 -0.001327 -0.000664 0.000318 0.000650 9C 2dz2 0.035663 -0.056220 0.067452 0.050612 0.059940 0.038181 9C 2dxz -0.046371 0.081626 -0.040834 0.049041 -0.087292 0.000178 9C 2dyz 0.017537 -0.045909 0.010422 0.101154 -0.023990 0.040890 9C 2dx2y2 -0.019286 0.035293 -0.013562 -0.020983 -0.025697 -0.023037 9C 2dxy -0.032572 0.120413 -0.029830 0.041324 -0.073487 0.017840 9C 1f0 -0.001001 0.010747 -0.002338 0.001370 -0.009978 -0.000246 9C 1f+1 -0.001129 0.003233 -0.003165 -0.003354 0.001687 0.001733 9C 1f-1 0.001188 -0.005214 0.003493 -0.002289 0.001483 -0.004136 9C 1f+2 0.000204 -0.001748 0.003901 -0.003865 0.008610 -0.001494 9C 1f-2 0.003917 -0.009006 0.006145 0.002169 0.005386 0.001593 9C 1f+3 -0.003440 0.003543 -0.003412 -0.010831 0.005114 -0.002799 9C 1f-3 -0.003675 0.008953 -0.008444 -0.002650 -0.006292 0.000642 10H 1s -0.009953 0.023143 -0.011625 0.030375 0.025022 0.014671 10H 2s 0.084422 0.437142 -0.303605 0.380845 0.450619 0.211038 10H 3s -0.533058 -0.646110 1.228529 -0.577408 -1.169753 -0.639901 10H 1pz 0.014926 0.007799 -0.013878 0.005627 0.009304 0.007340 10H 1px -0.005403 -0.017243 0.014773 -0.010561 -0.018015 -0.006179 10H 1py 0.006642 0.003300 0.001612 0.001562 0.001302 -0.000321 11H 1s -0.004756 -0.009301 0.023887 0.021990 -0.010870 0.013656 11H 2s -0.267938 -0.187331 0.422072 0.311563 -0.131303 0.081392 11H 3s 0.143789 0.572596 -0.720532 -0.007361 0.255001 0.069931 11H 1pz -0.015084 -0.006379 0.003705 0.005795 0.005978 -0.003729 11H 1px -0.012835 -0.017764 0.014871 0.004135 -0.008326 -0.000279 11H 1py -0.007535 -0.005168 -0.003829 -0.004823 0.001948 -0.005244 12H 1s -0.019329 -0.021121 0.020742 0.029674 -0.017477 0.011883 12H 2s -0.457066 -0.347251 0.445711 0.423979 -0.259435 0.070222 12H 3s 0.440774 0.776076 -0.302977 -0.531379 0.503782 -0.312541 12H 1pz -0.002247 0.012777 0.003031 -0.002383 0.006106 -0.004006 12H 1px -0.012556 -0.014474 0.016277 0.005466 -0.009015 -0.001670 12H 1py -0.017669 -0.009830 0.015667 0.011410 -0.003567 -0.001532 13H 1s 0.029648 -0.000915 0.024372 0.013727 0.001496 0.024971 13H 2s 0.479699 -0.006283 0.462428 0.105090 0.206640 0.482383 13H 3s -0.673370 -0.326087 -1.145532 0.213318 -0.900564 -1.094254 13H 1pz 0.009787 -0.002192 0.011126 0.000148 0.010725 0.010674 13H 1px -0.015962 -0.003856 -0.015671 0.000352 -0.007828 -0.012826 13H 1py -0.001849 -0.004877 -0.009931 0.000303 -0.012801 -0.008811 14H 1s -0.013434 0.014942 -0.010354 0.039249 -0.014096 -0.012807 14H 2s -0.112942 0.118897 -0.195260 0.537149 -0.426355 -0.377991 14H 3s 0.530364 -0.720732 0.364607 -0.879700 0.341548 1.038948 14H 1pz 0.006433 -0.002210 0.000190 0.004260 -0.008797 -0.005691 14H 1px -0.005686 0.003599 -0.010339 0.014567 -0.018716 -0.020384 14H 1py -0.009315 0.009649 0.001783 0.003376 0.007855 0.004620 15H 1s -0.001492 0.000636 -0.005148 0.026385 -0.009951 0.003333 15H 2s 0.021014 0.024637 -0.076324 0.323793 -0.239649 -0.061183 15H 3s 0.131224 -0.103558 0.282235 -0.022730 0.147622 0.210784 15H 1pz 0.005121 0.001213 0.005828 -0.008430 0.001954 0.002371 15H 1px -0.007215 0.006916 -0.004780 0.003136 -0.008858 -0.010175 15H 1py -0.006006 -0.010112 -0.003395 -0.000406 0.006978 0.008512 16H 1s 0.044270 -0.000878 -0.002914 -0.019991 -0.045450 -0.020029 16H 2s 0.209558 -0.006188 0.115715 -0.002111 -0.277025 -0.238891 16H 3s -0.349279 -0.052516 -0.041434 -0.107437 0.437733 0.393584 16H 1pz -0.004149 -0.000418 0.013423 0.013534 0.002211 -0.014319 16H 1px 0.018815 0.001401 -0.004791 -0.017961 -0.015296 0.009248 16H 1py -0.004347 0.003904 -0.001441 -0.002131 -0.000351 0.003138 17H 1s -0.060325 -0.015697 -0.024419 -0.015752 0.023673 0.015517 17H 2s -0.284657 0.023533 -0.097352 -0.100320 0.091644 0.225138 17H 3s 0.615854 0.029693 0.466758 0.040038 -0.265056 -0.578161 17H 1pz 0.005228 0.001044 -0.002902 0.002149 -0.003177 -0.004015 17H 1px -0.023770 -0.016720 0.001811 -0.002691 0.006241 -0.023861 17H 1py 0.002466 0.005599 0.007273 -0.002063 -0.005482 -0.006363 18H 1s 0.043186 -0.042289 -0.027432 -0.020182 -0.020471 0.016794 18H 2s 0.248750 -0.108751 -0.113325 -0.120579 -0.073499 0.232310 18H 3s -0.479599 0.297861 0.504052 0.106423 0.266341 -0.604844 18H 1pz 0.003892 -0.003389 0.003161 -0.002521 -0.002384 0.003519 18H 1px -0.013496 0.027466 -0.000631 0.003003 0.005199 0.023851 18H 1py -0.001583 -0.005748 -0.007091 0.001025 -0.005708 0.006613 19H 1s -0.040258 0.022760 -0.002202 -0.010910 0.049011 -0.020044 19H 2s -0.181384 0.101579 0.111811 0.053077 0.278683 -0.235323 19H 3s 0.267871 -0.246272 -0.037141 -0.188061 -0.416795 0.376633 19H 1pz -0.004402 0.003311 -0.012739 -0.013087 0.004257 0.013971 19H 1px 0.017148 -0.010560 0.003894 0.014694 -0.018504 -0.008284 19H 1py -0.005493 -0.000993 0.001764 0.001760 -0.000285 -0.002891 20H 1s 0.000630 -0.000307 -0.005562 0.028247 0.004342 0.003240 20H 2s -0.020070 0.028362 -0.083581 0.373639 0.167579 -0.068254 20H 3s -0.125072 -0.032151 0.298329 -0.055030 -0.122875 0.208320 20H 1pz 0.003185 -0.003373 -0.006196 0.008655 0.000081 -0.002260 20H 1px -0.008916 -0.003052 0.005751 -0.004940 -0.007624 0.010115 20H 1py -0.000465 0.011438 0.003540 0.002147 0.006761 -0.009070 21H 1s 0.017297 0.007391 -0.012038 0.041509 0.005394 -0.012080 21H 2s 0.128104 0.057527 -0.223866 0.613402 0.298689 -0.368522 21H 3s -0.756070 -0.402627 0.423226 -0.922617 -0.137539 1.011744 21H 1pz 0.006907 -0.000922 -0.000096 -0.005916 -0.007903 0.005741 21H 1px -0.005197 -0.000803 0.011735 -0.017833 -0.014813 0.019960 21H 1py -0.012709 -0.004457 -0.001470 -0.001859 0.008365 -0.004870 22H 1s -0.025075 0.012354 0.026345 0.013437 -0.002527 0.024212 22H 2s -0.393750 0.199801 0.502241 0.068192 -0.195121 0.468719 22H 3s 0.385641 -0.578147 -1.220103 0.392345 0.769994 -1.078129 22H 1pz 0.008909 -0.001971 -0.012046 0.001918 0.009811 -0.010529 22H 1px -0.011126 0.010310 0.017091 -0.001844 -0.006687 0.012361 22H 1py 0.001318 0.004622 0.010697 -0.002604 -0.012065 0.008674 23H 1s 0.007300 -0.027033 0.018829 0.032686 0.012142 0.011686 23H 2s 0.249434 -0.512090 0.407247 0.471996 0.187146 0.065842 23H 3s -0.024249 0.868885 -0.252593 -0.605037 -0.393170 -0.309216 23H 1pz -0.008163 -0.010178 -0.003157 0.003421 0.005539 0.004151 23H 1px -0.004813 0.018475 -0.014948 -0.006959 -0.008499 0.001604 23H 1py -0.011675 0.017001 -0.014615 -0.012138 -0.001769 0.001713 24H 1s 0.001014 -0.011678 0.023911 0.024222 0.007811 0.013036 24H 2s 0.172092 -0.312365 0.415653 0.342917 0.092742 0.070640 24H 3s 0.079971 0.619937 -0.733094 -0.071084 -0.294638 0.087062 24H 1pz -0.010822 0.013141 -0.003582 -0.004928 0.006678 0.003969 24H 1px -0.003877 0.022237 -0.014103 -0.006005 -0.008087 0.000268 24H 1py -0.003956 0.007901 0.004042 0.005015 0.001050 0.005153 25H 1s 0.019313 0.015226 -0.010779 0.025527 -0.031025 0.014294 25H 2s 0.122228 0.423407 -0.273417 0.293994 -0.531582 0.203221 25H 3s 0.191379 -0.805297 1.158037 -0.334051 1.321796 -0.654881 25H 1pz 0.009807 -0.013987 0.012514 -0.003783 0.011053 -0.007126 25H 1px 0.003010 0.017641 -0.013424 0.007003 -0.020455 0.005874 25H 1py 0.004155 -0.006157 -0.002054 -0.001158 0.001447 0.000449 26O 1s -0.000242 0.008947 -0.008200 -0.001907 0.006023 0.002226 26O 2s 0.000579 0.021241 -0.020471 -0.005044 0.014526 0.005415 26O 3s -0.022008 -0.023966 0.043545 0.016842 -0.015600 -0.015540 26O 4s 0.097945 -0.177133 0.042059 -0.027025 -0.080257 -0.041746 26O 5s 0.072802 0.567792 -0.324163 -0.361176 -0.347631 0.887317 26O 1pz 0.057021 0.049447 -0.003261 0.034090 0.060696 -0.008863 26O 1px 0.056976 0.097844 -0.067198 -0.045173 0.021861 0.028093 26O 1py 0.024880 -0.035657 -0.049814 -0.009285 0.057887 -0.022347 26O 2pz 0.090353 0.097842 0.022155 0.099014 0.100985 -0.027015 26O 2px 0.041778 0.117360 -0.011102 -0.008849 0.069487 -0.055196 26O 2py -0.004677 -0.126209 -0.063702 0.035514 0.124524 -0.073694 26O 3pz -0.233354 -0.156582 -0.031178 -0.449900 -0.198698 -0.066291 26O 3px -0.294393 -0.260403 0.162510 0.145579 0.400547 -0.617469 26O 3py -0.021043 0.430060 0.239839 -0.172029 -0.068481 -0.123101 26O 1dz2 0.002416 -0.000391 -0.000814 -0.001654 -0.003560 0.003957 26O 1dxz -0.001593 0.000992 -0.000953 -0.001111 0.000233 0.001302 26O 1dyz -0.000281 -0.000161 -0.001917 -0.001777 0.000761 -0.000376 26O 1dx2y2 -0.002422 -0.000709 0.002296 0.001070 0.005042 -0.005104 26O 1dxy -0.002231 0.003345 -0.000902 0.000765 0.004655 -0.002045 26O 2dz2 -0.005146 -0.015964 0.011955 0.008693 0.005571 -0.035923 26O 2dxz 0.007238 0.004509 -0.013584 -0.005878 0.002683 0.010560 26O 2dyz 0.018407 0.015692 -0.006300 -0.003241 0.007571 -0.000995 26O 2dx2y2 0.013899 0.012368 -0.026876 -0.011870 -0.000011 0.022448 26O 2dxy 0.019081 0.014901 -0.027207 -0.015128 -0.000206 0.021433 26O 1f0 0.000219 -0.000025 -0.000165 0.000134 -0.000341 0.000228 26O 1f+1 0.000134 0.000529 -0.000690 -0.000696 -0.000821 0.001780 26O 1f-1 0.000652 0.000258 -0.000438 -0.001454 -0.000261 -0.000246 26O 1f+2 0.000201 -0.000061 0.000083 0.000546 0.000658 -0.000896 26O 1f-2 -0.000238 0.000005 0.000181 -0.000775 0.000006 -0.001000 26O 1f+3 0.001143 0.000922 -0.000742 -0.000536 -0.000165 0.000664 26O 1f-3 0.000548 0.000456 -0.001402 -0.000210 -0.001039 0.003139 27O 1s 0.006121 -0.001909 0.006099 -0.005207 -0.001070 0.007750 27O 2s 0.013611 -0.004114 0.014407 -0.013126 -0.001173 0.018591 27O 3s 0.009378 -0.003946 -0.014279 0.023847 -0.021308 -0.030375 27O 4s -0.181381 0.077171 -0.097324 -0.005079 0.134956 -0.139298 27O 5s -0.705103 -0.067909 -0.230844 0.484201 -0.301725 1.077451 27O 1pz 0.033977 0.036430 0.056172 -0.040595 0.033063 0.004042 27O 1px 0.007528 -0.000655 0.023658 -0.042836 0.055238 0.081694 27O 1py -0.043841 0.038627 -0.000513 0.004519 -0.063929 0.014230 27O 2pz 0.054735 0.091061 0.135422 -0.067506 0.059609 0.009250 27O 2px 0.114623 -0.016546 0.045119 -0.084220 0.065867 -0.015305 27O 2py -0.093921 0.095743 0.015309 -0.006801 -0.093432 0.073009 27O 3pz -0.137067 -0.218700 -0.340764 0.177219 -0.132113 0.105198 27O 3px 0.816128 -0.080974 0.247939 -0.433380 -0.063170 -0.588256 27O 3py -0.057438 -0.260488 -0.071397 0.249943 0.243109 -0.213898 27O 1dz2 -0.005464 0.001336 -0.001812 0.002325 0.000329 0.002805 27O 1dxz -0.000878 0.000816 -0.001026 0.001894 -0.000165 0.003453 27O 1dyz -0.000096 -0.000553 -0.000320 0.001880 -0.000629 0.000296 27O 1dx2y2 0.008520 -0.001414 0.001563 -0.004185 -0.000564 -0.004969 27O 1dxy -0.003571 -0.000174 -0.001409 0.002293 0.001518 -0.003368 27O 2dz2 0.014919 -0.013120 0.000300 0.008140 -0.011330 -0.033454 27O 2dxz 0.002299 -0.000876 -0.000100 -0.002455 -0.001811 -0.001907 27O 2dyz 0.000240 0.007571 -0.007485 0.009896 -0.014188 0.011067 27O 2dx2y2 -0.028306 -0.003280 -0.004716 0.019714 0.006960 0.040187 27O 2dxy 0.009983 -0.004550 -0.006645 0.002346 -0.011906 -0.021579 27O 1f0 0.000285 -0.000086 0.000036 0.000931 -0.000745 0.000063 27O 1f+1 -0.002132 0.000573 -0.000183 0.001792 0.000202 0.002005 27O 1f-1 0.000576 -0.000025 -0.000313 -0.000361 -0.000275 0.000121 27O 1f+2 0.000233 -0.000256 0.000011 0.001082 0.000036 0.000901 27O 1f-2 0.000380 -0.000443 0.000249 0.000181 0.000592 0.000090 27O 1f+3 -0.002481 0.000262 -0.000697 0.000708 0.000390 0.002318 27O 1f-3 0.001863 -0.000520 0.000509 -0.000780 0.000220 -0.002121 28O 1s 0.005088 -0.006665 0.003904 0.000306 -0.003087 -0.002993 28O 2s 0.010416 -0.016109 0.009530 -0.000130 -0.007073 -0.006954 28O 3s 0.017937 0.020651 -0.017103 0.006468 -0.003425 0.007471 28O 4s -0.236216 0.061840 -0.042497 -0.083246 0.058765 0.068579 28O 5s 0.378804 0.462329 0.399177 0.839371 0.747787 -0.597255 28O 1pz -0.036993 -0.002815 0.072320 -0.044508 -0.052158 -0.028376 28O 1px 0.012759 0.006999 -0.016257 -0.023513 -0.013868 0.025016 28O 1py -0.033123 -0.055739 -0.052394 -0.001755 -0.035722 0.047509 28O 2pz -0.002471 0.016839 0.047505 -0.142258 -0.124574 0.020164 28O 2px 0.019104 0.026356 0.025329 0.022046 0.037008 -0.006981 28O 2py -0.042191 -0.108377 -0.149013 -0.007136 -0.057548 0.117574 28O 3pz -0.050549 -0.520550 0.191007 -0.141148 -0.383925 -0.081035 28O 3px -0.288185 0.363938 0.114087 0.638867 0.680923 -0.236151 28O 3py -0.027333 0.089120 0.658115 -0.016329 -0.015966 -0.531046 28O 1dz2 -0.001276 -0.002375 0.002039 0.002552 -0.001273 -0.001603 28O 1dxz -0.002495 0.005286 -0.001215 0.004921 0.007961 -0.002628 28O 1dyz -0.000559 -0.001209 0.002597 -0.000828 -0.001531 -0.001717 28O 1dx2y2 0.003164 -0.002654 -0.001302 -0.006056 -0.004968 0.000788 28O 1dxy 0.001202 0.000861 -0.004630 -0.000942 0.001225 0.002163 28O 2dz2 -0.003165 -0.017020 0.001195 -0.004579 0.002941 0.000659 28O 2dxz 0.014979 -0.013793 -0.025682 -0.032657 -0.024721 0.023854 28O 2dyz 0.000320 -0.002762 0.008834 -0.015019 0.000837 -0.005730 28O 2dx2y2 -0.013661 0.003344 0.005210 0.016778 0.013660 -0.000357 28O 2dxy 0.000043 -0.003498 -0.001358 -0.015226 -0.004561 -0.000120 28O 1f0 -0.000476 0.000979 0.000697 0.000998 0.001044 0.000256 28O 1f+1 -0.000173 0.000331 0.000861 0.001801 0.001447 -0.000446 28O 1f-1 -0.000286 -0.000742 0.000994 -0.001375 0.000211 -0.000834 28O 1f+2 0.001471 -0.000558 -0.001251 -0.001852 -0.002166 0.001562 28O 1f-2 -0.000483 0.000030 -0.000023 0.000156 0.000701 0.000144 28O 1f+3 0.000835 -0.000444 -0.000311 -0.001187 -0.000744 0.000288 28O 1f-3 0.000472 -0.000135 -0.000215 0.001057 0.000825 -0.000141 29O 1s -0.001697 -0.000978 -0.006897 -0.004866 0.000328 0.000191 29O 2s -0.004147 -0.002078 -0.015139 -0.010415 0.000262 0.000846 29O 3s 0.005868 -0.000788 -0.001938 -0.006756 0.006324 -0.007371 29O 4s 0.031560 0.046396 0.237342 0.198468 -0.042818 0.035437 29O 5s -0.080140 -0.125645 -0.440274 -0.388678 0.076351 -0.121019 29O 1pz 0.109950 0.021981 0.014100 -0.016945 -0.077196 -0.045947 29O 1px 0.050455 0.010822 0.042464 0.017602 -0.030029 -0.014570 29O 1py -0.042695 -0.023217 -0.029065 -0.020860 -0.024093 0.007526 29O 2pz 0.210078 0.051294 0.037234 -0.018250 -0.154214 -0.114883 29O 2px 0.109250 0.003631 0.099321 0.022893 -0.056413 -0.049274 29O 2py -0.082702 -0.044578 -0.053688 -0.035170 -0.064396 0.020089 29O 3pz -0.287909 -0.183417 0.022148 0.054322 0.187373 0.017495 29O 3px -0.192458 0.003524 -0.265377 0.119315 0.133835 0.138690 29O 3py 0.150695 0.120964 0.180470 0.059381 0.109871 -0.020991 29O 1dz2 0.001496 -0.000508 0.000703 -0.000236 -0.002439 -0.001498 29O 1dxz -0.001717 -0.000295 -0.000251 -0.000549 0.001123 0.000739 29O 1dyz 0.002303 -0.000796 0.001444 0.001013 -0.001698 -0.002870 29O 1dx2y2 -0.001328 -0.000489 -0.001114 0.000297 -0.000277 0.000704 29O 1dxy 0.000538 -0.000420 -0.000493 0.000436 0.000000 -0.000788 29O 2dz2 0.008739 0.005476 -0.003754 -0.010479 -0.003224 0.010105 29O 2dxz -0.013588 -0.007517 0.003344 0.008511 0.006659 -0.011868 29O 2dyz 0.005312 0.000084 -0.001181 -0.006068 -0.005164 0.004744 29O 2dx2y2 -0.007501 0.002477 0.007263 -0.008855 -0.000869 -0.012903 29O 2dxy 0.004935 0.012913 0.004722 0.007903 0.001685 0.003588 29O 1f0 0.000188 0.000743 0.000834 0.000514 -0.000191 -0.000304 29O 1f+1 -0.000336 -0.000580 0.000051 0.000244 0.000034 -0.000848 29O 1f-1 -0.000817 0.000333 0.000753 0.001259 0.000453 -0.000225 29O 1f+2 0.000847 -0.000026 -0.000428 -0.000632 -0.000476 0.000622 29O 1f-2 0.001174 0.001048 0.000029 0.000045 -0.000596 0.001034 29O 1f+3 -0.000680 -0.000232 0.000308 -0.000414 0.000027 -0.000873 29O 1f-3 -0.000533 0.000008 -0.000172 0.000144 0.000268 -0.000570 30O 1s -0.006664 0.000674 -0.003354 0.001212 0.003243 -0.008188 30O 2s -0.015501 0.001955 -0.008372 0.002577 0.006428 -0.020418 30O 3s 0.007628 -0.004631 0.013569 0.000086 0.013226 0.044384 30O 4s 0.121273 0.045645 0.027326 -0.063475 -0.169828 0.050203 30O 5s 0.373959 -0.843530 0.113399 0.321774 0.465798 -0.794732 30O 1pz -0.016216 0.057917 0.010662 0.036488 -0.041150 -0.077651 30O 1px -0.006850 0.061007 0.018425 -0.000638 -0.015415 0.057766 30O 1py 0.057594 0.044652 0.057697 0.018748 0.047110 0.011018 30O 2pz -0.045703 0.184728 0.044781 0.056182 -0.064057 -0.051115 30O 2px 0.014066 0.061568 0.040445 0.023096 -0.003810 0.013016 30O 2py 0.120184 0.039229 0.084351 0.047931 0.044953 -0.107789 30O 3pz -0.279484 -0.313611 -0.456433 -0.258613 0.034607 0.131102 30O 3px 0.620854 -0.585749 0.031903 0.102100 -0.081546 -0.425523 30O 3py 0.098832 -0.181714 0.109810 -0.064594 0.090762 0.452751 30O 1dz2 0.001327 -0.002964 -0.000430 0.001086 -0.001160 -0.000677 30O 1dxz 0.006328 -0.002181 0.003990 0.001375 -0.000297 -0.002707 30O 1dyz 0.004682 -0.001753 0.001503 0.000137 0.000839 0.002904 30O 1dx2y2 -0.003096 0.001788 0.000293 -0.001974 0.001502 0.003866 30O 1dxy -0.005003 0.003650 -0.002223 0.002255 -0.000271 -0.000327 30O 2dz2 0.001642 -0.005294 -0.003069 -0.003003 0.004258 0.011872 30O 2dxz -0.014082 0.009954 -0.012794 -0.015371 0.004146 0.034420 30O 2dyz -0.003397 0.015908 0.014588 -0.000525 0.003954 0.029639 30O 2dx2y2 0.007474 -0.011266 -0.003196 0.003616 -0.002455 0.004986 30O 2dxy 0.014579 -0.019286 0.005785 0.008719 -0.004585 -0.029775 30O 1f0 0.000753 -0.000523 0.001019 0.001022 -0.000203 -0.000318 30O 1f+1 0.000382 0.000210 0.000708 0.000150 0.001074 -0.000297 30O 1f-1 0.000098 -0.000266 0.000797 0.000776 0.000024 -0.000543 30O 1f+2 -0.000860 0.000513 0.000533 0.000029 0.000401 0.001488 30O 1f-2 -0.001700 0.000934 -0.000272 -0.000720 0.000301 0.002381 30O 1f+3 0.000507 -0.000266 -0.000011 0.000028 0.000257 -0.001068 30O 1f-3 -0.001164 0.001331 -0.000050 -0.001103 0.000119 0.001834 31O 1s 0.005937 -0.002533 -0.003648 0.000548 -0.003646 -0.007966 31O 2s 0.013938 -0.005526 -0.009112 0.001238 -0.007392 -0.019904 31O 3s -0.007866 -0.000863 0.014762 -0.002184 -0.011831 0.044174 31O 4s -0.086108 0.099855 0.026389 -0.029844 0.179534 0.045597 31O 5s -0.665592 -0.597215 0.172841 0.223706 -0.506740 -0.804652 31O 1pz -0.043303 -0.042788 -0.007702 -0.044292 -0.032018 0.077426 31O 1px -0.034159 -0.049522 -0.016927 -0.002767 -0.015786 -0.056601 31O 1py 0.024051 -0.064390 -0.063235 -0.009389 0.046969 -0.009731 31O 2pz -0.129886 -0.140226 -0.038444 -0.068750 -0.050048 0.050873 31O 2px -0.018584 -0.059318 -0.041056 -0.022944 -0.000801 -0.011337 31O 2py 0.076315 -0.087216 -0.094613 -0.039346 0.049592 0.111053 31O 3pz -0.055456 0.390828 0.476867 0.261225 0.000683 -0.145545 31O 3px 0.793171 0.243408 -0.077532 -0.120145 -0.066822 0.446071 31O 3py 0.168435 0.115738 -0.119204 0.091660 0.065176 -0.451825 31O 1dz2 -0.002587 -0.001959 -0.000359 0.001296 0.000924 -0.000710 31O 1dxz -0.006132 0.000951 0.004427 0.001371 0.000284 -0.002856 31O 1dyz -0.004745 0.000615 0.001873 -0.000095 -0.000716 0.002792 31O 1dx2y2 0.003495 0.000148 0.000142 -0.002260 -0.001084 0.003924 31O 1dxy 0.005891 0.000832 -0.002566 0.002380 -0.000370 -0.000264 31O 2dz2 -0.004251 -0.004020 -0.002801 -0.003613 -0.003399 0.011773 31O 2dxz 0.015063 0.002814 -0.013839 -0.016088 -0.001547 0.035005 31O 2dyz 0.010828 0.012187 0.014384 -0.000761 -0.002961 0.029499 31O 2dx2y2 -0.011809 -0.006634 -0.002688 0.004101 0.001766 0.004659 31O 2dxy -0.020729 -0.010804 0.006783 0.009638 0.003220 -0.030062 31O 1f0 0.000818 0.000139 -0.001068 -0.001041 -0.000057 0.000336 31O 1f+1 0.000170 -0.000347 -0.000773 0.000051 0.001036 0.000302 31O 1f-1 0.000146 0.000221 -0.000804 -0.000757 0.000124 0.000547 31O 1f+2 -0.000977 -0.000044 -0.000496 0.000050 0.000359 -0.001503 31O 1f-2 -0.001833 -0.000076 0.000389 0.000765 0.000159 -0.002443 31O 1f+3 0.000559 0.000028 -0.000034 0.000028 0.000269 0.001090 31O 1f-3 -0.001564 -0.000656 0.000146 0.001104 -0.000094 -0.001860 32O 1s 0.000487 -0.000780 -0.007296 -0.005130 0.000539 0.000887 32O 2s 0.001480 -0.001804 -0.016087 -0.010934 0.001579 0.002426 32O 3s -0.005860 0.001568 -0.001024 -0.007587 -0.004902 -0.007990 32O 4s 0.013332 0.031675 0.244766 0.210182 0.006403 0.017861 32O 5s -0.022247 -0.120943 -0.445728 -0.401207 -0.005887 -0.105331 32O 1pz 0.084555 -0.076936 -0.018896 0.000881 -0.079229 0.047097 32O 1px 0.035838 -0.031432 -0.045432 -0.024374 -0.026623 0.017069 32O 1py -0.020384 0.038114 0.031106 0.014816 -0.030000 -0.005511 32O 2pz 0.154932 -0.155252 -0.045130 -0.013571 -0.155228 0.116149 32O 2px 0.087484 -0.048279 -0.107081 -0.037297 -0.053138 0.056535 32O 2py -0.039185 0.074720 0.057736 0.019392 -0.074519 -0.014166 32O 3pz -0.157405 0.326501 -0.006682 -0.019186 0.191950 -0.015816 32O 3px -0.157245 0.063774 0.284819 -0.077374 0.162360 -0.166096 32O 3py 0.050411 -0.173396 -0.185863 -0.032481 0.123514 0.009929 32O 1dz2 -0.001483 0.000260 0.000619 0.000206 0.002436 -0.001410 32O 1dxz 0.001388 -0.001104 -0.000289 -0.000773 -0.001034 0.000792 32O 1dyz -0.002346 0.000289 0.001489 0.001361 0.001612 -0.002931 32O 1dx2y2 0.000889 -0.001010 -0.001217 0.000305 0.000171 0.000797 32O 1dxy -0.000615 -0.000079 -0.000513 0.000384 -0.000108 -0.000693 32O 2dz2 -0.005100 0.009182 -0.003221 -0.009699 0.004456 0.009843 32O 2dxz 0.009091 -0.013972 0.002326 0.007219 -0.007957 -0.011426 32O 2dyz -0.004933 0.003431 -0.000719 -0.005346 0.006649 0.004417 32O 2dx2y2 0.009164 -0.002879 0.006581 -0.008042 0.002209 -0.013355 32O 2dxy 0.002986 0.013719 0.004940 0.007133 -0.003697 0.003568 32O 1f0 -0.000225 -0.000709 -0.000760 -0.000477 -0.000106 0.000283 32O 1f+1 -0.000031 0.000737 -0.000013 -0.000237 0.000056 0.000873 32O 1f-1 -0.000928 0.000069 -0.000685 -0.001159 0.000645 0.000146 32O 1f+2 0.000838 -0.000401 0.000397 0.000578 -0.000589 -0.000577 32O 1f-2 0.000581 -0.001552 -0.000067 -0.000113 -0.000553 -0.001033 32O 1f+3 -0.000525 0.000565 -0.000267 0.000374 -0.000070 0.000843 32O 1f-3 -0.000538 0.000306 0.000189 -0.000113 0.000326 0.000597 33O 1s -0.007375 -0.003461 0.003972 0.000711 0.003103 -0.002925 33O 2s -0.016173 -0.009297 0.009589 0.000814 0.007298 -0.006782 33O 3s -0.007038 0.027805 -0.015619 0.007153 0.001412 0.007112 33O 4s 0.235368 -0.061202 -0.053742 -0.089032 -0.042694 0.068787 33O 5s -0.105954 0.554905 0.449679 0.683610 -0.876639 -0.603200 33O 1pz -0.034838 0.021864 -0.067232 0.032515 -0.062729 0.029263 33O 1px 0.007282 -0.013069 0.015976 0.020624 -0.017054 -0.025445 33O 1py 0.002382 0.062924 0.055901 -0.004265 -0.033222 -0.047632 33O 2pz -0.012489 -0.014388 -0.040482 0.114894 -0.151124 -0.019588 33O 2px 0.000088 -0.029661 -0.027507 -0.014496 0.040233 0.006246 33O 2py 0.026768 0.110121 0.154648 -0.001157 -0.051500 -0.118810 33O 3pz 0.192110 0.466007 -0.183927 0.065712 -0.414943 0.084883 33O 3px -0.423519 -0.158913 -0.130499 -0.509233 0.784874 0.244877 33O 3py -0.110284 -0.054047 -0.663915 0.000052 -0.050001 0.539662 33O 1dz2 0.000111 -0.002683 0.001964 0.002769 0.000866 -0.001634 33O 1dxz 0.004719 0.003278 -0.001035 0.003370 -0.008828 -0.002610 33O 1dyz 0.000165 -0.001351 0.002489 -0.000519 0.001777 -0.001703 33O 1dx2y2 -0.004114 -0.000672 -0.001402 -0.005091 0.005993 0.000848 33O 1dxy -0.000902 0.001378 -0.004571 -0.001252 -0.001264 0.002238 33O 2dz2 -0.005141 -0.016755 0.000863 -0.005252 -0.001860 0.000951 33O 2dxz -0.021148 -0.003310 -0.025710 -0.027885 0.029556 0.024308 33O 2dyz -0.001449 -0.002617 0.008476 -0.015183 0.002370 -0.005394 33O 2dx2y2 0.013463 -0.004552 0.005164 0.014368 -0.016345 -0.000700 33O 2dxy -0.002066 -0.002532 -0.001646 -0.014219 0.007427 0.000063 33O 1f0 -0.000903 -0.000604 -0.000717 -0.000801 0.001205 -0.000244 33O 1f+1 -0.000353 -0.000102 -0.000897 -0.001509 0.001727 0.000464 33O 1f-1 0.000061 0.000789 -0.001017 0.001370 -0.000114 0.000850 33O 1f+2 0.001619 -0.000327 0.001271 0.001449 -0.002416 -0.001588 33O 1f-2 -0.000436 0.000230 0.000023 -0.000017 0.000723 -0.000153 33O 1f+3 0.000950 -0.000057 0.000310 0.001054 -0.000941 -0.000312 33O 1f-3 0.000454 -0.000079 0.000134 -0.000875 0.001019 0.000148 34O 1s -0.005868 0.000941 0.006508 -0.004931 0.002439 0.007444 34O 2s -0.012918 0.002152 0.015369 -0.012716 0.004611 0.017875 34O 3s -0.011220 0.001903 -0.014608 0.027496 0.015097 -0.029816 34O 4s 0.189255 -0.015096 -0.104996 -0.030028 -0.135886 -0.134299 34O 5s 0.579804 -0.386966 -0.286410 0.530360 0.183967 1.089776 34O 1pz 0.011268 -0.047502 -0.057942 0.046350 0.022455 -0.004245 34O 1px 0.003884 -0.002201 -0.026471 0.053517 0.044088 -0.081576 34O 1py -0.053801 -0.014802 0.007511 -0.017211 -0.060222 -0.015158 34O 2pz 0.001098 -0.104734 -0.138394 0.077375 0.040215 -0.009028 34O 2px 0.103948 -0.038161 -0.055073 0.096265 0.045009 0.016603 34O 2py -0.124458 -0.042038 -0.002506 -0.012388 -0.090305 -0.074288 34O 3pz -0.014865 0.256176 0.350450 -0.198470 -0.079171 -0.108237 34O 3px 0.734067 -0.306416 -0.300089 0.412888 -0.162048 0.606984 34O 3py 0.076374 0.258458 0.057381 -0.195549 0.280255 0.211911 34O 1dz2 0.005253 -0.001315 -0.002150 0.002237 -0.000906 0.002916 34O 1dxz 0.001194 0.000308 -0.001039 0.001937 -0.000239 0.003402 34O 1dyz -0.000167 -0.000483 -0.000374 0.001940 0.000223 0.000370 34O 1dx2y2 -0.007927 0.002702 0.002122 -0.004020 0.001529 -0.005139 34O 1dxy 0.003068 -0.001800 -0.001522 0.001956 -0.002019 -0.003300 34O 2dz2 -0.019354 -0.004475 0.000800 0.010272 0.009642 -0.033614 34O 2dxz -0.002680 0.000153 -0.000005 -0.002085 0.002246 -0.002051 34O 2dyz 0.002128 0.007161 -0.008151 0.012501 0.011392 0.011011 34O 2dx2y2 0.023183 -0.016022 -0.006206 0.017825 -0.010800 0.040857 34O 2dxy -0.011747 0.001246 -0.006618 0.004607 0.010821 -0.021419 34O 1f0 0.000356 -0.000080 -0.000014 -0.001055 -0.000561 -0.000068 34O 1f+1 -0.002117 0.000489 0.000313 -0.001726 0.000565 -0.002045 34O 1f-1 0.000548 -0.000253 0.000284 0.000303 -0.000324 -0.000109 34O 1f+2 0.000327 0.000120 -0.000047 -0.001068 0.000244 -0.000890 34O 1f-2 0.000566 0.000218 -0.000299 -0.000064 0.000580 -0.000095 34O 1f+3 -0.002275 0.000905 0.000852 -0.000614 0.000563 -0.002382 34O 1f-3 0.001821 -0.000415 -0.000635 0.000816 0.000045 0.002133 35O 1s 0.004107 0.007666 -0.008118 -0.003021 -0.005982 0.002339 35O 2s 0.008703 0.018761 -0.020197 -0.007749 -0.014372 0.005679 35O 3s 0.009986 -0.031585 0.042123 0.020070 0.014243 -0.015880 35O 4s -0.165486 -0.107837 0.047153 -0.013721 0.086846 -0.043313 35O 5s 0.124910 0.551688 -0.360923 -0.295329 0.394814 0.904830 35O 1pz 0.025518 -0.070039 -0.001821 -0.021349 0.067441 0.008175 35O 1px 0.010250 -0.114309 0.064706 0.049092 0.016611 -0.028855 35O 1py 0.038693 0.019268 0.044720 0.020957 0.055788 0.022012 35O 2pz 0.028800 -0.126767 -0.029968 -0.077490 0.120231 0.026683 35O 2px -0.017753 -0.123369 0.006818 0.021524 0.068740 0.055130 35O 2py 0.051397 0.114841 0.054666 -0.010295 0.128452 0.074404 35O 3pz -0.119768 0.233699 0.046847 0.401124 -0.290950 0.066095 35O 3px -0.184724 0.393160 -0.176617 -0.076209 0.409858 0.626509 35O 3py -0.230218 -0.368517 -0.231782 0.148407 -0.104222 0.124748 35O 1dz2 -0.002521 0.000916 -0.000825 -0.000965 0.003767 0.003917 35O 1dxz 0.001805 0.000247 -0.001008 -0.001118 -0.000033 0.001328 35O 1dyz 0.000119 -0.000288 -0.001895 -0.001899 -0.000501 -0.000365 35O 1dx2y2 0.002256 -0.001952 0.002371 0.000113 -0.005057 -0.005063 35O 1dxy 0.003641 0.001755 -0.000859 -0.000095 -0.004792 -0.001975 35O 2dz2 -0.000934 -0.017647 0.012504 0.007896 -0.006223 -0.036401 35O 2dxz -0.005096 0.007271 -0.013123 -0.006407 -0.002124 0.010755 35O 2dyz -0.008777 0.022217 -0.005452 -0.004859 -0.007392 -0.000903 35O 2dx2y2 -0.008792 0.017939 -0.026214 -0.012029 0.001221 0.022771 35O 2dxy -0.012305 0.022851 -0.026825 -0.015300 0.001777 0.021832 35O 1f0 0.000228 -0.000049 0.000182 -0.000192 -0.000302 -0.000238 35O 1f+1 -0.000011 -0.000575 0.000737 0.000539 -0.000909 -0.001792 35O 1f-1 0.000483 -0.000582 0.000443 0.001407 -0.000516 0.000224 35O 1f+2 0.000168 -0.000051 -0.000135 -0.000415 0.000748 0.000895 35O 1f-2 -0.000234 0.000099 -0.000180 0.000747 -0.000160 0.001016 35O 1f+3 0.000658 -0.001332 0.000676 0.000490 -0.000243 -0.000640 35O 1f-3 0.000462 -0.000742 0.001458 0.000048 -0.000985 -0.003175 210 211 212 213 214 215 0.52140 0.53153 0.53951 0.54530 0.55520 0.56250 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s -0.000306 0.000771 -0.003118 0.000698 -0.009224 0.003608 0Rh 2s 0.001028 -0.003749 0.010278 -0.001041 0.031018 -0.014019 0Rh 3s -0.001145 0.002172 -0.011820 0.003427 -0.034587 0.012364 0Rh 4s -0.004547 0.017180 -0.045380 0.003923 -0.137416 0.063207 0Rh 5s 0.002646 -0.021643 0.024158 0.011010 0.079259 -0.057323 0Rh 6s 0.013103 -0.001665 0.141225 -0.065859 0.406389 -0.096462 0Rh 7s -0.055526 -0.172636 -0.602778 0.232089 -1.448669 -0.127282 0Rh 8s -0.089322 0.580806 -0.499380 0.491817 -3.096567 0.681828 0Rh 1pz 0.001464 0.003119 0.001553 -0.002916 0.005708 -0.002013 0Rh 1px 0.000058 0.000952 -0.001903 0.000971 -0.012301 0.007272 0Rh 1py 0.000545 -0.000678 -0.003816 -0.005664 -0.004041 0.002965 0Rh 2pz -0.005158 -0.009805 -0.005579 0.009891 -0.019911 0.007221 0Rh 2px -0.000121 -0.003189 0.006852 -0.003020 0.043093 -0.025332 0Rh 2py -0.002190 0.002197 0.012458 0.019694 0.014423 -0.010256 0Rh 3pz 0.006666 -0.009686 0.009276 -0.005285 0.021623 -0.011857 0Rh 3px -0.001426 0.000878 -0.011567 -0.003813 -0.050265 0.027141 0Rh 3py 0.007992 0.000861 0.002617 -0.019993 -0.021907 0.009583 0Rh 4pz -0.000994 0.084672 -0.009251 -0.029643 0.014605 0.011909 0Rh 4px 0.006095 0.012642 0.011123 0.031077 -0.018234 0.017686 0Rh 4py -0.020308 -0.014447 -0.070522 -0.022663 0.014006 0.012794 0Rh 5pz 0.021247 -0.125542 0.035202 0.046855 0.025256 -0.053931 0Rh 5px -0.010939 -0.013454 -0.044057 -0.069116 -0.085945 0.053550 0Rh 5py 0.042144 0.023690 0.090474 0.031322 -0.073613 0.009882 0Rh 6pz -0.354298 0.168578 -0.011870 -0.512933 -0.644886 0.446573 0Rh 6px 0.032057 -0.203918 0.817238 0.617416 2.000146 -1.056025 0Rh 6py 0.039697 0.006868 0.132191 -1.444981 1.099172 -0.425812 0Rh 1dz2 -0.001867 -0.015723 0.002983 0.003632 -0.015729 -0.008865 0Rh 1dxz 0.001706 0.029269 -0.012857 -0.003339 -0.015745 -0.005040 0Rh 1dyz -0.013868 0.005446 0.009606 -0.000944 -0.005888 -0.002873 0Rh 1dx2y2 0.004790 0.012936 0.015351 0.010592 0.026282 0.012169 0Rh 1dxy -0.012863 -0.000106 -0.024442 -0.004879 0.016947 0.005360 0Rh 2dz2 0.000183 0.001848 -0.000417 -0.000461 0.001188 0.000363 0Rh 2dxz -0.000054 -0.002924 0.000788 0.000278 0.000979 0.000939 0Rh 2dyz 0.001226 -0.000426 -0.001720 0.000602 0.000526 0.000399 0Rh 2dx2y2 -0.000255 -0.001671 -0.001494 -0.001648 -0.001113 -0.001687 0Rh 2dxy 0.001203 -0.000192 0.002594 -0.001661 -0.001229 -0.000571 0Rh 3dz2 0.002743 0.022137 -0.003892 -0.005113 0.025035 0.015284 0Rh 3dxz -0.002995 -0.043559 0.021194 0.005230 0.025999 0.005625 0Rh 3dyz 0.021156 -0.008586 -0.011079 -0.000721 0.009025 0.003759 0Rh 3dx2y2 -0.008016 -0.017580 -0.022985 -0.013356 -0.045395 -0.016058 0Rh 3dxy 0.019386 0.000978 0.035822 0.016386 -0.027302 -0.007834 0Rh 4dz2 0.003870 0.043407 -0.009938 -0.009138 0.033685 0.015927 0Rh 4dxz -0.003001 -0.072029 0.025516 0.006555 0.030266 0.018449 0Rh 4dyz 0.030102 -0.011657 -0.034986 0.009500 0.014076 0.009557 0Rh 4dx2y2 -0.009285 -0.037887 -0.037438 -0.032889 -0.044914 -0.036598 0Rh 4dxy 0.030062 -0.002172 0.062427 -0.019749 -0.034736 -0.013595 0Rh 5dz2 0.013009 -0.047248 0.033390 -0.009181 -0.006156 -0.007952 0Rh 5dxz 0.002678 0.019127 0.003998 0.015655 0.016506 -0.043651 0Rh 5dyz 0.037128 -0.008341 0.095238 -0.044777 -0.018101 -0.036621 0Rh 5dx2y2 -0.002021 0.056837 0.020909 0.032036 -0.044552 0.063850 0Rh 5dxy 0.008048 0.011924 -0.025742 0.184386 -0.022973 0.014698 0Rh 1f0 0.002923 0.005526 0.003392 -0.004162 -0.009514 -0.007381 0Rh 1f+1 -0.002488 0.005628 0.004075 0.002207 0.003469 0.002979 0Rh 1f-1 0.005583 -0.003477 0.005815 -0.006965 0.000732 -0.004065 0Rh 1f+2 0.003807 0.001016 0.003930 -0.004501 0.006442 0.009241 0Rh 1f-2 -0.004275 -0.001685 -0.002131 0.003627 0.004995 0.008609 0Rh 1f+3 0.001093 -0.001780 0.006375 -0.000747 0.009011 0.007253 0Rh 1f-3 0.001153 0.003090 -0.000357 0.002189 0.008945 -0.001124 1Rh 1s 0.000361 -0.000752 0.003161 0.000902 0.009184 0.003539 1Rh 2s -0.001207 0.003718 -0.010480 -0.001746 -0.030895 -0.013785 1Rh 3s 0.001360 -0.002085 0.011945 0.004179 0.034436 0.012110 1Rh 4s 0.005332 -0.017060 0.046303 0.007056 0.136873 0.062172 1Rh 5s -0.003016 0.021896 -0.025292 0.008994 -0.079021 -0.056710 1Rh 6s -0.015686 -0.000038 -0.141395 -0.074183 -0.404491 -0.093424 1Rh 7s 0.063965 0.181971 0.594464 0.260274 1.447397 -0.139973 1Rh 8s 0.087841 -0.582221 0.502204 0.548106 3.074879 0.661777 1Rh 1pz 0.001511 0.003024 0.001453 0.003137 0.005447 0.002049 1Rh 1px 0.000006 0.000907 -0.002032 -0.001137 -0.012293 -0.007206 1Rh 1py 0.000477 -0.000630 -0.003962 0.005538 -0.004050 -0.002987 1Rh 2pz -0.005317 -0.009482 -0.005240 -0.010683 -0.019011 -0.007348 1Rh 2px 0.000064 -0.003037 0.007310 0.003607 0.043068 0.025097 1Rh 2py -0.001953 0.002028 0.012968 -0.019263 0.014451 0.010345 1Rh 3pz 0.006801 -0.009921 0.009161 0.006552 0.020863 0.012015 1Rh 3px -0.001732 0.000817 -0.012186 0.003039 -0.050312 -0.026784 1Rh 3py 0.007704 0.001032 0.002038 0.019687 -0.021882 -0.009876 1Rh 4pz -0.000724 0.083965 -0.010551 0.028603 0.013019 -0.011889 1Rh 4px 0.006412 0.012109 0.011292 -0.031002 -0.017929 -0.017923 1Rh 4py -0.020379 -0.014251 -0.070795 0.021749 0.013693 -0.012063 1Rh 5pz 0.021074 -0.124720 0.037735 -0.042344 0.027197 0.054391 1Rh 5px -0.012423 -0.012580 -0.045896 0.067398 -0.086307 -0.052172 1Rh 5py 0.041900 0.023479 0.089933 -0.031205 -0.072284 -0.011834 1Rh 6pz -0.352879 0.157954 -0.049017 0.458801 -0.693040 -0.472210 1Rh 6px 0.047951 -0.214249 0.834152 -0.583850 1.990113 1.024136 1Rh 6py 0.031670 0.014631 0.126257 1.474538 1.069130 0.449765 1Rh 1dz2 0.001927 0.015443 -0.001968 0.003447 0.015507 -0.008634 1Rh 1dxz -0.001729 -0.029379 0.013283 -0.002290 0.015888 -0.005331 1Rh 1dyz 0.013791 -0.005414 -0.010218 -0.000927 0.005843 -0.002884 1Rh 1dx2y2 -0.004471 -0.012953 -0.014501 0.010095 -0.026694 0.012269 1Rh 1dxy 0.012928 0.000081 0.024591 -0.004561 -0.016883 0.005220 1Rh 2dz2 -0.000185 -0.001821 0.000255 -0.000416 -0.001165 0.000350 1Rh 2dxz 0.000047 0.002972 -0.000831 0.000185 -0.000950 0.000968 1Rh 2dyz -0.001230 0.000442 0.001795 0.000612 -0.000515 0.000381 1Rh 2dx2y2 0.000213 0.001693 0.001374 -0.001645 0.001200 -0.001708 1Rh 2dxy -0.001208 0.000180 -0.002574 -0.001707 0.001267 -0.000558 1Rh 3dz2 -0.002849 -0.021715 0.002625 -0.004952 -0.024700 0.014896 1Rh 3dxz 0.003065 0.043571 -0.021835 0.003613 -0.026394 0.006056 1Rh 3dyz -0.020991 0.008458 0.011937 -0.000799 -0.008990 0.003854 1Rh 3dx2y2 0.007590 0.017522 0.021862 -0.012424 0.045813 -0.016159 1Rh 3dxy -0.019490 -0.000880 -0.036194 0.015970 0.027016 -0.007621 1Rh 4dz2 -0.003963 -0.042751 0.006690 -0.008299 -0.033160 0.015466 1Rh 4dxz 0.002926 0.072773 -0.026482 0.004155 -0.029962 0.019190 1Rh 4dyz -0.030083 0.011860 0.036661 0.009661 -0.013775 0.009308 1Rh 4dx2y2 0.008360 0.038222 0.034913 -0.032276 0.046535 -0.036994 1Rh 4dxy -0.030156 0.002037 -0.062266 -0.020736 0.035262 -0.013269 1Rh 5dz2 -0.013138 0.047150 -0.029235 -0.011356 0.006324 -0.007477 1Rh 5dxz -0.001933 -0.021238 -0.004959 0.015503 -0.020140 -0.044665 1Rh 5dyz -0.036011 0.006306 -0.096741 -0.046659 0.015294 -0.034635 1Rh 5dx2y2 0.003030 -0.058686 -0.018141 0.033979 0.040684 0.064613 1Rh 5dxy -0.008665 -0.011225 0.022928 0.185737 0.018229 0.015217 1Rh 1f0 0.002958 0.005639 0.003391 0.003955 -0.009352 0.007276 1Rh 1f+1 -0.002523 0.005683 0.004060 -0.002285 0.003549 -0.003185 1Rh 1f-1 0.005448 -0.003433 0.005765 0.007191 0.000591 0.004026 1Rh 1f+2 0.003768 0.001025 0.003764 0.004645 0.006563 -0.009278 1Rh 1f-2 -0.004230 -0.001811 -0.002229 -0.003518 0.005005 -0.008552 1Rh 1f+3 0.001002 -0.001708 0.006162 0.000968 0.008998 -0.007393 1Rh 1f-3 0.001077 0.003117 -0.000339 -0.002116 0.009146 0.001059 2C 1s 0.004991 -0.007372 0.000655 -0.000044 -0.002347 0.010562 2C 2s 0.012139 -0.020137 0.003938 0.000184 -0.006533 0.026649 2C 3s -0.011805 0.088441 -0.068647 0.022739 0.029557 -0.031420 2C 4s -0.048660 -0.568967 0.722682 -0.129870 -0.174131 0.117082 2C 5s -2.154201 7.038320 -6.464608 -1.467958 2.186594-10.193154 2C 1pz -0.035204 -0.037767 0.048782 -0.017922 -0.030183 0.053471 2C 1px 0.140482 -0.000434 -0.019849 0.048650 0.074735 -0.046052 2C 1py 0.029391 -0.030967 0.010631 0.020215 0.001754 0.024705 2C 2pz -0.103033 -0.280913 0.312213 -0.141670 -0.156077 0.209303 2C 2px 0.516682 -0.028057 -0.068928 0.180697 0.252414 -0.155088 2C 2py 0.109317 -0.250183 0.121807 0.015384 -0.042995 0.098728 2C 3pz -0.259844 1.686181 -1.368079 -0.313758 0.787643 -2.792138 2C 3px -1.153365 0.770074 -0.712044 -0.475707 -0.594097 -0.701168 2C 3py -0.618682 0.887349 -0.880762 -0.649489 0.288578 -1.735962 2C 1dz2 0.000734 0.001676 -0.002000 -0.000173 0.000248 -0.005196 2C 1dxz -0.002376 0.002868 -0.001651 -0.002181 0.000688 -0.004232 2C 1dyz -0.001521 0.000579 0.000020 -0.001230 -0.000033 -0.004134 2C 1dx2y2 -0.001386 -0.002824 0.003036 0.001333 -0.002370 0.005228 2C 1dxy -0.001921 -0.000096 0.002822 -0.003304 -0.000184 -0.000307 2C 2dz2 0.048179 -0.070285 -0.044727 -0.018465 0.033064 -0.003491 2C 2dxz -0.060898 -0.102657 0.091552 -0.016436 -0.086438 0.085734 2C 2dyz 0.011437 0.013697 0.020458 -0.039312 -0.022035 -0.004680 2C 2dx2y2 -0.039281 0.012269 -0.080449 -0.004692 -0.030792 -0.042457 2C 2dxy -0.052152 -0.031667 0.009750 0.035938 -0.056111 0.033512 2C 1f0 0.005634 0.002911 -0.003929 -0.002344 0.004905 -0.007645 2C 1f+1 0.002144 -0.002079 0.003917 0.000942 0.000167 0.001734 2C 1f-1 -0.004626 -0.002528 0.003985 -0.006539 -0.002744 -0.001765 2C 1f+2 -0.002512 -0.004040 0.001889 0.002011 -0.004370 0.009888 2C 1f-2 -0.006621 0.000430 0.001316 -0.000396 -0.002185 -0.005523 2C 1f+3 0.004343 -0.009537 0.002211 0.002705 -0.002680 0.010292 2C 1f-3 0.007503 -0.000259 -0.000220 0.001376 0.003647 0.000089 3C 1s -0.002744 -0.006781 -0.007492 -0.010740 0.003956 0.003946 3C 2s -0.007170 -0.018633 -0.020267 -0.026519 0.010138 0.009140 3C 3s 0.021061 0.084487 0.091289 0.047449 -0.019239 0.006585 3C 4s -0.152099 -0.590025 -0.527257 -0.013194 0.014026 -0.064273 3C 5s 2.319349 6.916150 5.776803 2.817377 -2.358459 -3.837140 3C 1pz 0.040612 -0.028533 -0.044268 -0.007458 -0.016521 0.002494 3C 1px -0.146692 0.002350 0.032728 -0.025127 0.062059 -0.002223 3C 1py -0.010196 0.050669 0.034682 0.011059 0.013746 -0.029676 3C 2pz 0.114995 -0.204792 -0.305362 -0.107213 -0.046036 0.009068 3C 2px -0.537807 -0.051361 0.053000 -0.199992 0.237216 -0.013337 3C 2py 0.008666 0.349506 0.281204 0.133527 0.028901 -0.078566 3C 3pz -0.192263 0.790826 0.639043 0.405121 -0.169043 -0.257256 3C 3px 1.265906 0.869468 0.384600 0.126575 -0.781836 -0.500371 3C 3py -0.383559 -1.719245 -1.489222 -0.910601 0.475259 1.284155 3C 1dz2 -0.000925 0.001390 0.000450 -0.000082 0.000563 -0.000018 3C 1dxz -0.000127 0.001735 0.001861 0.000292 0.001200 -0.001139 3C 1dyz 0.000727 0.000940 0.000233 0.000666 0.001311 0.001507 3C 1dx2y2 0.000508 -0.004213 -0.002811 0.000335 0.000030 0.003200 3C 1dxy -0.003305 -0.001754 -0.000437 -0.004353 0.001196 0.001990 3C 2dz2 -0.023951 -0.042122 0.082116 0.021983 -0.005782 0.008932 3C 2dxz -0.000306 -0.077340 -0.040319 0.020104 -0.010235 0.010895 3C 2dyz 0.035423 0.005670 -0.044423 0.044589 -0.012768 0.017385 3C 2dx2y2 0.069874 0.017809 0.044473 0.039674 -0.058806 -0.013495 3C 2dxy -0.068187 0.084251 0.105601 0.078341 0.056413 -0.026393 3C 1f0 0.000934 0.004275 0.008061 0.005677 -0.002298 -0.000752 3C 1f+1 -0.006582 0.001888 0.004667 0.000402 0.002382 -0.000531 3C 1f-1 0.001153 0.003396 0.002368 0.003226 -0.001146 -0.002643 3C 1f+2 -0.004328 -0.006009 -0.003735 -0.009745 0.004200 0.005076 3C 1f-2 0.001891 -0.001774 -0.002182 -0.001338 0.000971 0.002685 3C 1f+3 0.003435 -0.006638 -0.004514 -0.003055 -0.002627 0.001327 3C 1f-3 0.009605 0.000615 -0.003142 0.001268 -0.004433 -0.000467 4C 1s 0.001970 -0.003370 0.009419 0.000686 -0.000513 -0.003712 4C 2s 0.004146 -0.005600 0.019859 0.001701 -0.000739 -0.008723 4C 3s 0.011870 -0.054689 -0.031895 -0.027638 -0.000832 -0.060363 4C 4s -0.201799 0.684682 -0.351840 0.001444 0.108258 0.217169 4C 5s 1.780209 -5.185089 5.436949 1.338260 -1.473863 7.676839 4C 1pz 0.056278 0.004146 0.031607 0.031280 0.013929 0.015086 4C 1px -0.172168 0.010864 0.042764 -0.025223 -0.088164 0.094487 4C 1py -0.046092 -0.056519 -0.026838 0.007818 0.000160 0.038777 4C 2pz 0.046099 -0.061776 0.258629 -0.108113 -0.178111 0.325413 4C 2px -0.077631 -0.049911 -0.090532 0.395506 0.261346 0.003378 4C 2py -0.027374 -0.227240 0.047433 0.071254 -0.007471 0.238412 4C 3pz -1.262155 2.288515 -2.169613 -0.981222 0.489912 -4.890770 4C 3px 0.177567 0.089653 -0.090784 -0.315462 1.533046 -1.159512 4C 3py -0.462148 2.054903 -0.912633 -0.593575 0.723419 -3.358832 4C 1dz2 -0.007170 -0.001947 0.006595 -0.005251 -0.006878 0.000543 4C 1dxz 0.007696 -0.001658 -0.002104 0.002521 0.012854 -0.009167 4C 1dyz -0.002378 0.002829 -0.000932 -0.005640 0.001022 -0.007623 4C 1dx2y2 0.001932 0.003740 -0.004628 0.001607 0.000859 0.002923 4C 1dxy 0.006145 0.003716 -0.006478 0.006345 0.009740 -0.004806 4C 2dz2 -0.074710 0.161270 -0.135240 -0.103691 -0.037985 -0.067272 4C 2dxz 0.127271 0.029285 -0.149401 0.222545 0.181018 -0.139128 4C 2dyz -0.024101 0.112383 -0.113327 0.066115 -0.017628 0.024473 4C 2dx2y2 0.001327 -0.060266 0.167085 0.011647 -0.009446 0.132717 4C 2dxy 0.083137 -0.056406 -0.003390 0.139885 0.112187 0.028865 4C 1f0 0.000304 0.001482 -0.001967 -0.002994 -0.000483 -0.008748 4C 1f+1 0.002344 0.002276 -0.007280 -0.001817 0.004714 -0.017099 4C 1f-1 -0.002377 -0.001644 0.003897 -0.007710 -0.005658 -0.001141 4C 1f+2 -0.006402 0.005071 0.008940 -0.004450 -0.005977 0.015984 4C 1f-2 0.006113 -0.001192 -0.001634 0.005314 0.008853 -0.003850 4C 1f+3 -0.005757 0.000664 0.004483 -0.011945 -0.005303 0.003819 4C 1f-3 -0.006236 0.004645 -0.004233 -0.014542 -0.005008 -0.012589 5C 1s -0.003122 -0.009148 -0.001825 -0.004079 -0.001658 -0.009347 5C 2s -0.006690 -0.018833 -0.001912 -0.009714 -0.004200 -0.021803 5C 3s 0.004261 -0.011263 -0.088760 0.070405 0.036938 0.022440 5C 4s 0.137075 0.659234 0.822517 -0.249300 -0.216093 0.161528 5C 5s -2.051277 -5.823810 -4.069698 -2.817271 1.203834 2.909053 5C 1pz -0.062153 0.046881 -0.039832 0.020560 0.038904 0.030282 5C 1px 0.170880 -0.001958 -0.031009 0.037603 -0.075862 0.043042 5C 1py 0.021016 0.040410 -0.009839 -0.049880 -0.008573 -0.044803 5C 2pz -0.065289 -0.059943 -0.253683 -0.033076 -0.029714 0.095626 5C 2px 0.058179 0.009383 0.189563 -0.373136 0.257137 0.072398 5C 2py 0.033406 0.205837 0.076714 0.091270 0.055458 -0.124501 5C 3pz 0.660315 1.054138 1.453451 0.476799 -1.112519 -1.436985 5C 3px -0.138549 0.529952 1.013510 0.752322 0.699133 -0.738961 5C 3py -0.663661 -2.494409 -1.694202 -0.755350 1.431514 2.058351 5C 1dz2 0.003109 -0.003383 -0.005956 0.003487 -0.003301 0.002542 5C 1dxz -0.003974 -0.000872 0.001210 0.006671 0.003149 0.000984 5C 1dyz -0.004948 -0.002470 -0.000523 -0.003000 0.006856 0.001499 5C 1dx2y2 -0.004350 0.007046 0.010292 -0.008066 0.009098 -0.004466 5C 1dxy 0.009222 -0.003232 -0.008241 0.002764 -0.008381 0.000496 5C 2dz2 0.056431 0.004485 -0.078978 0.101292 -0.036712 -0.034987 5C 2dxz -0.035726 0.110238 0.072360 -0.082979 0.134838 -0.037402 5C 2dyz -0.092697 -0.090732 -0.040118 -0.050053 0.070049 -0.022331 5C 2dx2y2 -0.123392 -0.183688 -0.074424 -0.219649 0.067204 0.064957 5C 2dxy 0.067185 -0.080242 -0.132895 0.099018 -0.153781 0.034169 5C 1f0 -0.003910 0.004986 0.005712 0.000470 0.005552 -0.004078 5C 1f+1 0.007032 0.003523 -0.004380 0.011020 -0.004176 -0.003476 5C 1f-1 -0.002877 -0.000406 0.006834 -0.004341 0.002993 0.000387 5C 1f+2 0.002574 0.002872 0.001155 0.002163 -0.000195 0.000777 5C 1f-2 0.007327 -0.002667 -0.002264 0.008071 -0.013170 0.003810 5C 1f+3 0.003349 0.000971 -0.004798 0.013591 -0.000397 -0.005273 5C 1f-3 -0.003522 -0.002256 0.004382 -0.008673 0.001715 0.005433 6C 1s 0.003082 0.008963 0.001710 -0.003987 0.001646 -0.009311 6C 2s 0.006605 0.018418 0.001651 -0.009490 0.004184 -0.021676 6C 3s -0.005579 0.011926 0.087742 0.068181 -0.037326 0.018005 6C 4s -0.127094 -0.653280 -0.809236 -0.237074 0.223387 0.195350 6C 5s 2.113070 5.742740 4.126887 -2.830139 -1.260440 2.847182 6C 1pz -0.062868 0.046904 -0.038742 -0.021485 0.039241 -0.030096 6C 1px 0.172201 -0.004518 -0.030692 -0.040055 -0.074117 -0.043692 6C 1py 0.021938 0.040940 -0.009109 0.048023 -0.009718 0.044160 6C 2pz -0.066648 -0.059004 -0.254209 0.027269 -0.030820 -0.093869 6C 2px 0.055389 0.015035 0.183410 0.379825 0.258019 -0.075831 6C 2py 0.035497 0.205276 0.080736 -0.089825 0.054963 0.126031 6C 3pz 0.680765 1.030043 1.460616 -0.503649 -1.152530 1.398190 6C 3px -0.126735 0.517811 1.018812 -0.744430 0.680244 0.699360 6C 3py -0.702805 -2.457496 -1.728989 0.821068 1.496358 -1.982707 6C 1dz2 -0.003161 0.003515 0.006034 0.003580 0.003252 0.002418 6C 1dxz 0.003940 0.000858 -0.001282 0.006636 -0.003298 0.001016 6C 1dyz 0.005054 0.002360 0.000471 -0.003259 -0.006809 0.001331 6C 1dx2y2 0.004543 -0.007218 -0.010143 -0.008409 -0.008973 -0.004415 6C 1dxy -0.009221 0.003354 0.008158 0.002946 0.008152 0.000328 6C 2dz2 -0.057953 -0.003112 0.073925 0.101389 0.036684 -0.038700 6C 2dxz 0.036873 -0.110748 -0.073137 -0.088811 -0.131914 -0.040346 6C 2dyz 0.092028 0.088030 0.041539 -0.051068 -0.072318 -0.022801 6C 2dx2y2 0.124895 0.179172 0.076704 -0.218419 -0.066209 0.067646 6C 2dxy -0.070475 0.082352 0.132486 0.105479 0.155547 0.035404 6C 1f0 -0.003957 0.005053 0.005829 -0.000182 0.005702 0.004179 6C 1f+1 0.007261 0.003255 -0.004120 -0.011056 -0.004268 0.003711 6C 1f-1 -0.002937 -0.000353 0.006671 0.004492 0.002980 -0.000515 6C 1f+2 0.002542 0.002812 0.001146 -0.002232 -0.000225 -0.000881 6C 1f-2 0.007342 -0.002847 -0.002259 -0.008552 -0.013001 -0.004123 6C 1f+3 0.003584 0.000844 -0.004496 -0.013524 -0.000299 0.005609 6C 1f-3 -0.003726 -0.002107 0.004200 0.008524 0.001758 -0.005855 7C 1s -0.002008 0.003474 -0.009430 0.000584 0.000645 -0.003593 7C 2s -0.004232 0.005825 -0.019891 0.001555 0.001029 -0.008449 7C 3s -0.012064 0.053470 0.031271 -0.030545 0.000500 -0.062773 7C 4s 0.202503 -0.682692 0.352949 0.030169 -0.111384 0.227894 7C 5s -1.745233 5.228209 -5.327441 1.166191 1.483749 7.717678 7C 1pz 0.054847 0.003967 0.032924 -0.030183 0.014866 -0.015332 7C 1px -0.170824 0.009442 0.040806 0.024665 -0.089636 -0.095347 7C 1py -0.046989 -0.056915 -0.028571 -0.006770 0.000288 -0.038208 7C 2pz 0.044655 -0.063384 0.252140 0.111539 -0.183397 -0.329403 7C 2px -0.077394 -0.048941 -0.083274 -0.395668 0.275374 -0.003676 7C 2py -0.029056 -0.225581 0.043647 -0.068722 -0.005050 -0.239985 7C 3pz -1.235603 2.310896 -2.104577 0.870091 0.498765 4.886806 7C 3px 0.177512 0.089690 -0.080255 0.319006 1.520212 1.143995 7C 3py -0.443104 2.069811 -0.854005 0.528637 0.729435 3.360355 7C 1dz2 0.007077 0.001878 -0.006348 -0.005261 0.007002 0.000589 7C 1dxz -0.007521 0.001471 0.001941 0.002444 -0.013016 -0.009223 7C 1dyz 0.002338 -0.002906 0.000742 -0.005494 -0.000908 -0.007483 7C 1dx2y2 -0.001916 -0.003798 0.004724 0.001726 -0.000909 0.002858 7C 1dxy -0.006202 -0.003780 0.006401 0.006490 -0.009927 -0.004879 7C 2dz2 0.075515 -0.158225 0.133609 -0.100721 0.042301 -0.070757 7C 2dxz -0.127327 -0.029323 0.140512 0.220694 -0.189455 -0.142258 7C 2dyz 0.024854 -0.111787 0.114730 0.069773 0.014791 0.022834 7C 2dx2y2 -0.002634 0.062030 -0.168004 0.009148 0.011040 0.136463 7C 2dxy -0.081203 0.055650 -0.000035 0.138933 -0.118380 0.030587 7C 1f0 0.000343 0.001577 -0.001829 0.003014 -0.000406 0.008902 7C 1f+1 0.002364 0.002389 -0.007031 0.001927 0.004688 0.017314 7C 1f-1 -0.002326 -0.001595 0.003750 0.007805 -0.005904 0.001179 7C 1f+2 -0.006399 0.004839 0.008598 0.004331 -0.006390 -0.016227 7C 1f-2 0.006091 -0.001072 -0.001390 -0.005239 0.009186 0.003918 7C 1f+3 -0.005735 0.000704 0.004214 0.011888 -0.005592 -0.003876 7C 1f-3 -0.006182 0.004655 -0.004367 0.014563 -0.005419 0.012876 8C 1s 0.002827 0.006488 0.007705 -0.010839 -0.003836 0.003744 8C 2s 0.007346 0.017921 0.020749 -0.026761 -0.009858 0.008597 8C 3s -0.020106 -0.083453 -0.091154 0.047235 0.018732 0.008428 8C 4s 0.142556 0.590358 0.521323 -0.006632 -0.018413 -0.070081 8C 5s -2.365026 -6.825540 -5.826272 2.878102 2.468664 -3.691122 8C 1pz 0.040924 -0.028324 -0.044727 0.006980 -0.016303 -0.001790 8C 1px -0.148208 0.004118 0.032408 0.026673 0.061291 0.001791 8C 1py -0.010535 0.050205 0.035300 -0.010116 0.013376 0.029881 8C 2pz 0.118129 -0.202475 -0.305023 0.104194 -0.047441 -0.005237 8C 2px -0.542722 -0.043358 0.051074 0.205417 0.232901 0.013466 8C 2py 0.005145 0.344887 0.285484 -0.129019 0.028503 0.076686 8C 3pz -0.184123 0.781977 0.650716 -0.417958 -0.178980 0.228164 8C 3px 1.289147 0.855488 0.395539 -0.149040 -0.801915 0.498546 8C 3py -0.400608 -1.689555 -1.506974 0.923737 0.498593 -1.246569 8C 1dz2 0.000986 -0.001435 -0.000437 -0.000081 -0.000635 -0.000039 8C 1dxz 0.000095 -0.001715 -0.001858 0.000277 -0.001090 -0.001100 8C 1dyz -0.000666 -0.000918 -0.000263 0.000617 -0.001328 0.001483 8C 1dx2y2 -0.000526 0.004160 0.002886 0.000356 -0.000115 0.003180 8C 1dxy 0.003375 0.001682 0.000560 -0.004432 -0.001164 0.001955 8C 2dz2 0.024437 0.042262 -0.079823 0.021169 0.004994 0.010699 8C 2dxz -0.000021 0.076704 0.040700 0.019982 0.007730 0.010700 8C 2dyz -0.034754 -0.004329 0.043804 0.045517 0.010754 0.017472 8C 2dx2y2 -0.069965 -0.015808 -0.044858 0.039427 0.057240 -0.013276 8C 2dxy 0.068437 -0.083998 -0.107907 0.076692 -0.055462 -0.025059 8C 1f0 0.000770 0.004195 0.008246 -0.005716 -0.002182 0.000612 8C 1f+1 -0.006712 0.001797 0.004572 -0.000162 0.002400 0.000380 8C 1f-1 0.001208 0.003252 0.002255 -0.003215 -0.001096 0.002541 8C 1f+2 -0.004520 -0.005702 -0.003925 0.009872 0.004213 -0.004905 8C 1f-2 0.001751 -0.001790 -0.002354 0.001536 0.001043 -0.002661 8C 1f+3 0.003315 -0.006651 -0.004586 0.003076 -0.002430 -0.001326 8C 1f-3 0.009690 0.000350 -0.003102 -0.001293 -0.004313 0.000466 9C 1s -0.005188 0.007211 -0.000450 -0.000136 0.002240 0.010521 9C 2s -0.012579 0.019759 -0.003430 -0.000131 0.006288 0.026545 9C 3s 0.012109 -0.087626 0.067684 0.025505 -0.030323 -0.031472 9C 4s 0.053369 0.569373 -0.720122 -0.152134 0.185509 0.122710 9C 5s 2.103383 -7.077957 6.317353 -1.204720 -2.227271-10.215571 9C 1pz -0.034426 -0.037433 0.046914 0.018984 -0.030451 -0.053804 9C 1px 0.139261 0.000371 -0.017471 -0.047595 0.076408 0.046277 9C 1py 0.029459 -0.030878 0.011214 -0.020621 0.002197 -0.025236 9C 2pz -0.098249 -0.277629 0.305642 0.149068 -0.159759 -0.211956 9C 2px 0.513135 -0.024018 -0.059911 -0.177435 0.259924 0.156625 9C 2py 0.110834 -0.246631 0.120530 -0.013638 -0.041464 -0.101301 9C 3pz -0.247054 1.685021 -1.308365 0.253887 0.785886 2.777306 9C 3px -1.138710 0.772746 -0.714124 0.433100 -0.598660 0.709345 9C 3py -0.617640 0.915688 -0.883431 0.622408 0.286918 1.765323 9C 1dz2 -0.000761 -0.001683 0.001884 -0.000081 -0.000302 -0.005106 9C 1dxz 0.002310 -0.002838 0.001658 -0.002091 -0.000647 -0.004195 9C 1dyz 0.001482 -0.000613 -0.000044 -0.001203 0.000068 -0.004191 9C 1dx2y2 0.001339 0.002907 -0.002908 0.001301 0.002386 0.005334 9C 1dxy 0.002019 0.000059 -0.002818 -0.003346 0.000331 -0.000261 9C 2dz2 -0.047520 0.068288 0.047294 -0.017303 -0.032895 -0.003185 9C 2dxz 0.059331 0.102571 -0.091176 -0.018828 0.085660 0.087275 9C 2dyz -0.012915 -0.014507 -0.021049 -0.039704 0.022071 -0.005477 9C 2dx2y2 0.039079 -0.012972 0.079955 -0.002981 0.029122 -0.043395 9C 2dxy 0.052075 0.032569 -0.007601 0.036189 0.056790 0.034772 9C 1f0 0.005434 0.002926 -0.003706 0.002214 0.004747 0.007609 9C 1f+1 0.002410 -0.001990 0.003857 -0.000857 0.000393 -0.001578 9C 1f-1 -0.004437 -0.002470 0.003895 0.006607 -0.002911 0.001678 9C 1f+2 -0.002172 -0.004183 0.001868 -0.002046 -0.004265 -0.010159 9C 1f-2 -0.006705 0.000224 0.001596 0.000431 -0.002352 0.005171 9C 1f+3 0.004086 -0.009391 0.002132 -0.002500 -0.002685 -0.010263 9C 1f-3 0.007735 -0.000523 -0.000225 -0.001443 0.003691 -0.000421 10H 1s -0.012895 -0.030035 0.023984 -0.001910 -0.021115 0.047952 10H 2s -0.298687 -0.615783 0.547508 -0.069711 -0.465424 0.910437 10H 3s 1.126307 -0.649427 0.732335 0.311953 0.560319 0.253752 10H 1pz -0.007634 -0.010408 0.012145 -0.000808 -0.012401 0.016854 10H 1px 0.014195 0.013153 -0.012381 -0.000521 0.013747 -0.023771 10H 1py -0.001465 -0.011042 0.004406 -0.001999 -0.005814 0.007050 11H 1s 0.015841 -0.023217 0.008775 -0.000965 -0.001901 0.018426 11H 2s 0.366526 -0.327303 0.220710 0.076499 0.004484 0.394694 11H 3s -0.398624 -0.221597 0.188795 -0.009230 -0.330262 0.214379 11H 1pz 0.009260 0.001243 0.010191 0.007692 -0.001142 0.017619 11H 1px 0.016195 0.007866 -0.008036 0.002514 0.011021 -0.004224 11H 1py 0.002277 -0.001027 0.010085 -0.002154 -0.000814 0.005366 12H 1s 0.023276 -0.021732 0.018814 -0.001175 0.001972 0.021765 12H 2s 0.484666 -0.483654 0.184318 0.093428 0.034672 0.423417 12H 3s -0.676445 -0.354934 0.524288 -0.503208 -0.496925 0.378990 12H 1pz -0.002156 -0.012211 -0.001940 0.008736 -0.003324 0.011557 12H 1px 0.014590 0.002317 -0.013304 0.003305 0.010077 -0.006953 12H 1py 0.013436 -0.015474 -0.005262 0.005367 0.000809 0.012211 13H 1s 0.009958 -0.033050 -0.030248 -0.021027 -0.007326 0.016549 13H 2s 0.276594 -0.643297 -0.711024 -0.325334 -0.106206 0.282237 13H 3s -1.313427 -0.541204 -0.158992 0.090768 0.584486 0.238187 13H 1pz 0.007617 -0.013288 -0.023285 -0.010422 -0.002114 0.007359 13H 1px -0.012718 0.009324 0.008781 -0.001674 0.008595 -0.005099 13H 1py -0.007774 0.009320 0.015387 0.001145 0.000472 -0.001368 14H 1s -0.027403 -0.028767 -0.019099 -0.022120 0.014930 0.011338 14H 2s -0.539741 -0.403279 -0.343089 -0.492500 0.363302 0.175328 14H 3s 0.646495 -0.408809 -0.483415 -0.146552 -0.299417 0.208542 14H 1pz -0.005018 -0.006395 -0.012710 -0.010833 0.005623 0.006018 14H 1px -0.019130 0.003643 0.002190 -0.018206 0.015704 0.001834 14H 1py 0.001293 -0.002867 0.005270 0.002947 -0.003000 -0.000514 15H 1s -0.012089 -0.013614 -0.019435 -0.014751 0.010550 0.008981 15H 2s -0.278245 -0.386497 -0.230214 -0.310584 0.199625 0.179357 15H 3s 0.231339 -0.123194 -0.347718 0.008091 -0.015184 -0.308926 15H 1pz 0.003352 -0.012987 -0.005730 0.000930 -0.003984 0.003833 15H 1px -0.009964 -0.001958 0.009740 -0.004796 0.009904 0.000943 15H 1py 0.005826 0.016282 -0.007073 0.005215 -0.001182 -0.007991 16H 1s -0.005783 -0.005298 0.018916 0.000312 -0.024449 -0.018164 16H 2s 0.044779 -0.044211 -0.088204 0.212568 -0.396491 0.091429 16H 3s 0.075109 0.125474 -0.447197 -0.396057 0.184298 0.536483 16H 1pz 0.007785 0.000306 -0.016353 0.013950 -0.010217 0.015916 16H 1px -0.007473 0.006710 0.006950 -0.033290 -0.000380 -0.003480 16H 1py 0.002347 -0.002325 -0.012881 0.010263 -0.017763 0.010789 17H 1s 0.005615 -0.010285 -0.021837 0.023562 -0.020042 0.010298 17H 2s -0.017515 -0.055118 -0.189604 0.237051 -0.441014 0.162753 17H 3s -0.099911 -0.042279 0.203702 -0.561809 -0.007634 -0.092921 17H 1pz 0.003185 0.001320 0.005015 0.011151 0.007618 -0.001357 17H 1px 0.006921 -0.004043 -0.006320 -0.012080 0.012035 -0.000982 17H 1py -0.000567 -0.001658 -0.005290 0.008161 -0.023153 0.005098 18H 1s -0.005494 0.011374 0.020684 0.023318 0.019769 0.009580 18H 2s 0.016628 0.060994 0.185760 0.242649 0.441757 0.162502 18H 3s 0.102649 0.023589 -0.190026 -0.545926 0.013049 -0.080395 18H 1pz 0.003233 0.001106 0.005188 -0.010749 0.008462 0.001421 18H 1px 0.006672 -0.004137 -0.005863 0.012184 0.012482 0.001524 18H 1py -0.000356 -0.001657 -0.005340 -0.008904 -0.022750 -0.005299 19H 1s 0.006255 0.005351 -0.019103 0.000678 0.024221 -0.017950 19H 2s -0.041903 0.043684 0.082501 0.223785 0.389484 0.089321 19H 3s -0.079249 -0.120883 0.459081 -0.400380 -0.167225 0.523274 19H 1pz 0.007664 0.000603 -0.015523 -0.014087 -0.009415 -0.015348 19H 1px -0.007625 0.006719 0.006309 0.033659 -0.001210 0.003660 19H 1py 0.002491 -0.002465 -0.013343 -0.010992 -0.017829 -0.010831 20H 1s 0.012338 0.013188 0.019777 -0.014660 -0.010520 0.008691 20H 2s 0.284379 0.375923 0.236826 -0.314566 -0.201340 0.172699 20H 3s -0.248102 0.128271 0.342360 0.008111 0.014614 -0.321852 20H 1pz 0.003451 -0.012953 -0.005870 -0.000888 -0.003789 -0.003824 20H 1px -0.010145 -0.001655 0.009562 0.005256 0.009677 -0.000893 20H 1py 0.006133 0.015918 -0.006481 -0.005605 -0.001551 0.007877 21H 1s 0.027391 0.027893 0.019606 -0.022446 -0.014655 0.010980 21H 2s 0.541805 0.386887 0.351335 -0.499673 -0.355743 0.166101 21H 3s -0.656056 0.412467 0.479399 -0.134001 0.292914 0.199492 21H 1pz -0.005176 -0.006163 -0.012750 0.011032 0.005496 -0.005805 21H 1px -0.019293 0.004253 0.002006 0.018494 0.015114 -0.001619 21H 1py 0.001373 -0.002865 0.005187 -0.002881 -0.003049 0.000402 22H 1s -0.010141 0.032563 0.030799 -0.020729 0.007037 0.016225 22H 2s -0.279735 0.636779 0.718218 -0.320180 0.100294 0.272406 22H 3s 1.324222 0.533677 0.156411 0.081297 -0.599175 0.242511 22H 1pz 0.007626 -0.013046 -0.023155 0.010252 -0.002100 -0.006994 22H 1px -0.012780 0.009412 0.009063 0.001769 0.008190 0.005166 22H 1py -0.007811 0.009407 0.015483 -0.001147 0.000368 0.001034 23H 1s -0.023099 0.021042 -0.018443 -0.001789 -0.001885 0.021671 23H 2s -0.479098 0.474466 -0.178984 0.083456 -0.036774 0.422494 23H 3s 0.665941 0.348705 -0.498293 -0.520083 0.505992 0.365113 23H 1pz -0.002241 -0.012547 -0.002102 -0.008624 -0.003237 -0.011845 23H 1px 0.014270 0.002607 -0.013148 -0.003472 0.010395 0.007277 23H 1py 0.013323 -0.015108 -0.005746 -0.005443 0.001194 -0.012115 24H 1s -0.016502 0.023044 -0.008657 -0.001396 0.001659 0.018717 24H 2s -0.376378 0.324871 -0.216291 0.066872 -0.011344 0.393906 24H 3s 0.409559 0.230289 -0.189659 -0.011652 0.350562 0.224489 24H 1pz 0.009363 0.000968 0.010256 -0.007358 -0.000975 -0.017401 24H 1px 0.016378 0.008010 -0.008013 -0.002900 0.011298 0.004428 24H 1py 0.002209 -0.000830 0.009947 0.002383 -0.000862 -0.005191 25H 1s 0.012368 0.030015 -0.023051 -0.002485 0.021312 0.048231 25H 2s 0.290884 0.615312 -0.529793 -0.083606 0.470192 0.916120 25H 3s -1.112033 0.653057 -0.744915 0.275442 -0.555490 0.265645 25H 1pz -0.007420 -0.010523 0.012042 0.001049 -0.012557 -0.017147 25H 1px 0.013980 0.013290 -0.011949 0.000217 0.013856 0.024037 25H 1py -0.001499 -0.010599 0.003912 0.002261 -0.005615 -0.006743 26O 1s -0.007440 0.001167 -0.004874 -0.001115 -0.007407 0.001840 26O 2s -0.018082 0.003374 -0.011194 -0.002438 -0.018291 0.003727 26O 3s 0.028050 -0.017482 0.010322 0.004904 0.032818 0.015800 26O 4s 0.090951 0.063201 0.090439 0.054880 0.109774 -0.157056 26O 5s -0.326656 0.186371 -0.551178 -0.879358 -0.734608 0.216771 26O 1pz -0.025415 -0.010118 -0.002630 0.047397 0.033578 -0.002097 26O 1px -0.085054 0.013079 -0.003189 -0.038322 -0.053016 0.026528 26O 1py -0.048611 0.001269 0.033114 -0.040836 -0.024105 0.020074 26O 2pz -0.027618 -0.024747 -0.054895 0.121636 0.027542 -0.025009 26O 2px -0.070960 -0.032242 0.027217 0.060155 -0.022341 0.090384 26O 2py -0.031816 0.009684 0.082871 -0.024305 -0.043025 0.039688 26O 3pz 0.029077 -0.163363 0.510948 -0.470723 0.141777 0.604695 26O 3px 0.044232 0.045065 0.009072 0.220600 0.469451 0.058875 26O 3py -0.051576 -0.218816 0.006875 0.162320 0.378610 0.334127 26O 1dz2 -0.000425 0.000550 -0.000088 -0.002274 -0.003553 -0.002126 26O 1dxz -0.001482 -0.003215 0.004220 -0.001930 -0.002129 0.003671 26O 1dyz -0.001256 0.000593 0.000368 -0.001485 -0.002732 0.000343 26O 1dx2y2 -0.000153 -0.000157 -0.002693 0.003906 0.003248 0.001133 26O 1dxy -0.001567 -0.000247 -0.000356 0.003601 0.002193 0.002534 26O 2dz2 0.014767 0.009469 -0.013252 0.017588 0.012593 0.003564 26O 2dxz -0.014213 0.007241 -0.007802 -0.008307 -0.012418 0.001052 26O 2dyz -0.009485 0.013191 -0.019241 0.004477 -0.010843 0.008267 26O 2dx2y2 -0.016347 0.006721 0.004089 -0.020739 -0.011183 -0.003608 26O 2dxy -0.024982 0.008847 -0.005973 -0.030688 -0.019085 -0.000007 26O 1f0 0.000008 0.000292 -0.001181 -0.000377 -0.000584 0.000184 26O 1f+1 -0.000488 -0.000489 0.000359 -0.001857 -0.000973 -0.000400 26O 1f-1 -0.000130 0.000672 -0.000316 -0.000294 0.000144 0.000826 26O 1f+2 0.000013 -0.000778 0.000981 -0.000064 0.000159 -0.000299 26O 1f-2 0.000030 -0.000283 0.000652 0.000102 0.000929 0.000275 26O 1f+3 -0.000449 -0.000266 0.000382 -0.000651 0.000335 -0.000308 26O 1f-3 -0.000568 -0.000331 0.000308 -0.001898 -0.001565 -0.000348 27O 1s 0.008677 0.003576 -0.000623 -0.000265 -0.004839 -0.001380 27O 2s 0.021312 0.008444 -0.001955 0.000421 -0.012183 -0.003032 27O 3s -0.038396 -0.011549 0.010909 -0.023677 0.025824 0.004937 27O 4s -0.073690 -0.042898 0.014540 0.075269 0.060519 0.003336 27O 5s 0.403871 0.440788 -0.385134 0.850045 -0.592835 -0.040183 27O 1pz 0.027953 -0.030844 0.004658 -0.067707 0.042664 -0.010562 27O 1px 0.092511 0.004394 -0.033769 0.083000 -0.064331 0.055466 27O 1py -0.033698 -0.011685 0.003964 -0.001374 -0.021584 0.020504 27O 2pz 0.053312 -0.069071 0.019034 -0.142243 0.051768 -0.026149 27O 2px 0.063239 -0.041494 -0.017509 -0.000009 -0.035080 0.106431 27O 2py -0.015709 -0.051529 0.013113 0.046115 -0.019893 0.053987 27O 3pz -0.117938 0.037297 -0.190624 0.577928 -0.085164 0.211263 27O 3px -0.154948 0.050679 0.479877 -0.585437 0.317801 0.095653 27O 3py 0.039409 0.425753 -0.035420 -0.052591 -0.186061 -0.424992 27O 1dz2 -0.000936 -0.001493 -0.002120 0.000742 -0.000993 -0.001036 27O 1dxz 0.000239 -0.002098 -0.001611 0.003685 -0.002975 -0.000088 27O 1dyz -0.001237 -0.001476 -0.000488 0.000423 0.001665 0.000491 27O 1dx2y2 0.000085 0.001253 0.005328 -0.004932 0.004569 0.000829 27O 1dxy -0.001630 0.002853 0.001513 0.001179 0.000248 -0.002105 27O 2dz2 -0.022551 -0.007605 0.004212 -0.025059 0.016061 -0.002527 27O 2dxz 0.000572 0.005515 -0.001738 -0.012489 0.001251 -0.001952 27O 2dyz -0.002914 -0.013265 -0.007228 0.002122 0.007304 -0.012639 27O 2dx2y2 0.022612 -0.006420 -0.030333 0.038628 -0.014299 0.004600 27O 2dxy -0.027514 -0.012360 0.008861 -0.022032 0.016390 0.002237 27O 1f0 -0.000103 -0.000037 -0.000250 -0.001344 -0.000150 -0.001014 27O 1f+1 0.000547 -0.000350 -0.001781 0.002135 -0.000824 -0.000098 27O 1f-1 -0.000388 -0.000168 -0.000250 -0.000859 0.000285 -0.000044 27O 1f+2 0.000033 -0.000444 -0.001142 0.000818 -0.000275 -0.000227 27O 1f-2 0.000166 -0.000132 -0.000321 -0.001126 0.000266 0.000051 27O 1f+3 0.000653 -0.000816 -0.001719 0.002482 -0.000778 0.000605 27O 1f-3 -0.000909 -0.000773 0.000835 -0.000804 0.000801 0.000632 28O 1s 0.006225 0.004244 -0.005211 0.001082 0.006556 -0.008773 28O 2s 0.015635 0.010497 -0.013431 0.002753 0.016553 -0.022423 28O 3s -0.035060 -0.019835 0.038524 -0.009597 -0.038030 0.060893 28O 4s -0.003491 -0.014348 -0.019997 -0.014303 -0.060380 -0.009064 28O 5s 0.179229 -0.148814 -0.467799 0.774544 0.900257 -0.274916 28O 1pz 0.045965 0.013311 -0.064652 0.000691 0.018282 -0.047771 28O 1px -0.053404 0.014153 0.002127 -0.050039 -0.071589 0.001506 28O 1py 0.035538 0.021176 -0.012865 0.020496 -0.030060 -0.005588 28O 2pz -0.016471 0.019539 -0.063212 -0.098961 -0.015355 -0.037338 28O 2px -0.052303 0.043353 -0.088075 -0.038322 -0.021909 -0.129132 28O 2py 0.040972 0.065974 0.000521 0.014133 -0.042618 -0.012034 28O 3pz 0.225701 -0.170086 0.628197 0.258779 -0.418107 0.830992 28O 3px 0.237906 -0.354020 0.036686 0.656769 0.321203 0.181346 28O 3py 0.010995 -0.411976 0.131839 0.051073 -0.063688 0.366098 28O 1dz2 0.003298 -0.002740 0.002690 0.001454 0.001086 0.002043 28O 1dxz -0.002042 0.000144 -0.003060 0.001642 0.004261 -0.003477 28O 1dyz 0.002244 0.000244 -0.000115 0.000702 0.003312 -0.000320 28O 1dx2y2 -0.001471 0.002586 -0.001761 -0.004819 -0.003339 -0.000405 28O 1dxy -0.001215 0.002430 -0.002066 -0.000123 -0.000281 -0.001134 28O 2dz2 0.009298 0.016047 -0.018281 0.007095 0.015937 -0.018818 28O 2dxz -0.029439 0.016910 0.023554 -0.027112 -0.025008 0.025769 28O 2dyz -0.002011 0.016922 -0.020987 0.004746 0.013533 -0.005592 28O 2dx2y2 0.012721 -0.001075 -0.005574 0.014137 0.013709 -0.014678 28O 2dxy -0.010962 0.008578 0.001698 -0.013694 -0.005453 0.006241 28O 1f0 0.000536 -0.001060 0.000088 0.001338 0.000464 -0.000625 28O 1f+1 0.001018 -0.000339 -0.002033 0.001198 0.002039 -0.002381 28O 1f-1 -0.000002 -0.000438 0.000851 0.000601 -0.000680 0.001623 28O 1f+2 -0.001172 0.000864 0.000683 -0.001109 -0.001504 0.001998 28O 1f-2 0.000311 0.000490 -0.000644 0.000571 -0.000037 -0.000115 28O 1f+3 -0.000345 0.000871 0.000169 -0.000134 -0.000747 0.001121 28O 1f-3 0.000226 -0.000076 0.000202 0.000529 0.000405 -0.000694 29O 1s 0.000929 -0.003981 0.003196 0.015975 0.003826 -0.005410 29O 2s 0.002154 -0.008734 0.006965 0.035300 0.008470 -0.012654 29O 3s -0.001526 -0.001638 0.000506 0.003930 -0.003801 0.011201 29O 4s -0.017581 0.124882 -0.133264 -0.473685 -0.170474 0.154642 29O 5s -0.008592 -0.133640 0.354006 0.488926 0.548184 -0.347184 29O 1pz -0.032222 -0.027793 0.087140 -0.017272 -0.026728 -0.080936 29O 1px -0.011732 0.010657 0.009346 -0.062718 -0.005284 0.009078 29O 1py -0.003106 0.015764 0.021271 -0.058100 0.006774 -0.024924 29O 2pz -0.063610 -0.058373 0.172991 -0.007754 -0.051356 -0.172685 29O 2px -0.026966 0.021302 0.010472 -0.186514 -0.025746 0.051866 29O 2py -0.010543 0.036263 0.026365 -0.151357 0.002176 -0.044275 29O 3pz 0.219666 0.135778 -0.496370 0.018149 0.003353 0.531020 29O 3px 0.101024 -0.031263 0.126856 0.522623 0.459905 -0.354178 29O 3py 0.025090 -0.106216 -0.173269 0.497451 -0.354694 0.233092 29O 1dz2 0.000528 0.000406 -0.001725 0.000550 -0.004040 0.002014 29O 1dxz -0.000339 -0.001055 -0.001220 0.000864 -0.004199 0.000741 29O 1dyz 0.001473 0.000703 -0.001510 0.000160 0.000223 0.001593 29O 1dx2y2 -0.000136 0.000133 0.000870 -0.000652 0.001728 -0.001004 29O 1dxy 0.000452 0.000446 0.002168 0.000416 0.004365 -0.002018 29O 2dz2 -0.005429 0.000653 0.007459 -0.008623 -0.000926 -0.002844 29O 2dxz 0.008546 -0.006445 -0.002137 0.010153 0.004254 0.006093 29O 2dyz -0.006889 0.000043 0.007702 -0.013825 0.006528 -0.008312 29O 2dx2y2 0.002447 -0.002910 -0.009144 0.002989 -0.006670 -0.002259 29O 2dxy 0.000616 0.001242 -0.003612 0.029320 -0.021696 0.007166 29O 1f0 0.000199 -0.000215 -0.000671 0.001160 -0.001169 0.000654 29O 1f+1 0.000222 -0.000271 0.000247 0.000012 0.000495 -0.000358 29O 1f-1 0.000509 -0.000181 -0.001202 0.002135 -0.001663 0.001150 29O 1f+2 -0.000482 0.000245 0.000498 -0.000964 -0.000341 -0.000502 29O 1f-2 -0.000305 0.000364 0.000056 0.000551 -0.001407 -0.000032 29O 1f+3 0.000196 -0.000263 -0.000561 -0.000396 -0.000679 0.000065 29O 1f-3 0.000227 -0.000079 -0.000161 0.000261 0.000438 -0.000168 30O 1s -0.004159 0.005756 0.003952 0.000398 0.008020 -0.002757 30O 2s -0.010428 0.014070 0.010555 0.002153 0.019885 -0.006467 30O 3s 0.022066 -0.025864 -0.033923 -0.020340 -0.040183 0.010519 30O 4s 0.010309 -0.048276 0.046159 0.083742 -0.084596 0.030321 30O 5s -0.085342 0.326766 0.145171 -0.305347 0.877565 -0.128727 30O 1pz -0.046270 -0.007112 0.005919 0.038596 0.010490 -0.010168 30O 1px 0.040418 -0.003831 -0.020922 0.000929 -0.064029 -0.050681 30O 1py 0.046228 -0.053004 -0.019626 0.017122 0.003316 0.006243 30O 2pz -0.028301 -0.064220 -0.003614 0.114169 -0.006268 -0.013352 30O 2px 0.050136 0.049489 0.022486 -0.003083 -0.023234 -0.123631 30O 2py 0.005920 -0.089070 -0.004106 -0.005072 0.037303 0.003386 30O 3pz -0.139498 0.046128 -0.215632 -0.485731 -0.362769 0.246251 30O 3px -0.196122 -0.203494 -0.131424 -0.259080 0.421357 0.229797 30O 3py 0.273342 0.557554 0.284398 0.230479 0.315389 -0.259301 30O 1dz2 -0.001306 -0.001062 0.000290 -0.001287 0.000871 0.000271 30O 1dxz 0.000747 -0.001133 0.001424 -0.000353 0.003060 -0.001035 30O 1dyz 0.003033 0.000724 -0.000708 0.000108 -0.001558 -0.001121 30O 1dx2y2 0.003624 0.003522 0.000801 0.003674 -0.003598 -0.001080 30O 1dxy -0.001487 -0.002947 -0.004384 0.001521 -0.002918 0.000654 30O 2dz2 -0.001110 -0.008351 -0.015062 -0.011164 -0.000430 -0.004275 30O 2dxz 0.017734 0.001003 -0.004825 -0.004193 -0.016106 0.000398 30O 2dyz 0.007114 -0.025775 -0.016865 -0.003192 -0.021275 -0.002437 30O 2dx2y2 -0.002193 -0.011301 -0.015076 -0.001719 -0.004113 0.009873 30O 2dxy -0.024355 -0.002819 -0.003521 -0.018486 0.023301 -0.005211 30O 1f0 -0.000608 0.000378 0.000244 -0.000180 0.001441 -0.000525 30O 1f+1 0.000088 -0.000723 -0.000076 -0.000674 0.000554 -0.000621 30O 1f-1 0.000203 0.000156 0.000010 0.000339 0.000509 -0.000362 30O 1f+2 0.000476 0.000957 0.000893 -0.000592 0.000248 -0.001157 30O 1f-2 0.000696 -0.000341 -0.000338 -0.000042 -0.001899 -0.000043 30O 1f+3 -0.000182 0.000977 0.000301 -0.000683 0.001381 -0.000602 30O 1f-3 0.000938 0.000236 0.000561 -0.000225 -0.001238 0.000220 31O 1s 0.004167 -0.005781 -0.004026 0.000148 -0.007921 -0.002862 31O 2s 0.010462 -0.014115 -0.010730 0.001508 -0.019620 -0.006718 31O 3s -0.022320 0.025746 0.034130 -0.018520 0.039366 0.011039 31O 4s -0.008860 0.050288 -0.044388 0.083438 0.086274 0.031360 31O 5s 0.085468 -0.339677 -0.152062 -0.334662 -0.895645 -0.143064 31O 1pz -0.046891 -0.006098 0.005250 -0.037762 0.011669 0.011356 31O 1px 0.040869 -0.003899 -0.020748 -0.002355 -0.064525 0.050937 31O 1py 0.046614 -0.052417 -0.020617 -0.017102 0.005412 -0.006048 31O 2pz -0.028713 -0.062973 -0.005511 -0.113556 -0.003991 0.014987 31O 2px 0.050899 0.049866 0.023345 0.003588 -0.024580 0.125002 31O 2py 0.005234 -0.086572 -0.006222 0.006909 0.042028 -0.001639 31O 3pz -0.143864 0.045238 -0.217606 0.467421 -0.370406 -0.258877 31O 3px -0.198793 -0.194787 -0.133605 0.273958 0.433660 -0.219243 31O 3py 0.284511 0.545621 0.291799 -0.217742 0.297165 0.261520 31O 1dz2 0.001295 0.001042 -0.000308 -0.001291 -0.000902 0.000314 31O 1dxz -0.000755 0.001090 -0.001477 -0.000463 -0.003126 -0.001084 31O 1dyz -0.003095 -0.000719 0.000680 0.000148 0.001560 -0.001162 31O 1dx2y2 -0.003664 -0.003413 -0.000880 0.003752 0.003637 -0.001072 31O 1dxy 0.001528 0.002903 0.004385 0.001630 0.002842 0.000608 31O 2dz2 0.001101 0.008144 0.014697 -0.010917 0.000527 -0.004523 31O 2dxz -0.017820 -0.000708 0.004686 -0.003385 0.016637 0.000826 31O 2dyz -0.007376 0.025937 0.017213 -0.002293 0.021043 -0.002037 31O 2dx2y2 0.002113 0.011238 0.015027 -0.001545 0.004000 0.009587 31O 2dxy 0.024422 0.002443 0.003647 -0.019544 -0.023016 -0.005928 31O 1f0 -0.000581 0.000393 0.000233 0.000220 0.001414 0.000544 31O 1f+1 0.000079 -0.000706 -0.000066 0.000717 0.000543 0.000644 31O 1f-1 0.000209 0.000164 0.000056 -0.000309 0.000511 0.000385 31O 1f+2 0.000500 0.000947 0.000903 0.000598 0.000202 0.001140 31O 1f-2 0.000706 -0.000368 -0.000327 -0.000054 -0.001904 -0.000021 31O 1f+3 -0.000193 0.001000 0.000289 0.000722 0.001375 0.000626 31O 1f-3 0.000934 0.000215 0.000541 0.000190 -0.001265 -0.000250 32O 1s -0.000843 0.004283 -0.003673 0.015689 -0.004133 -0.005416 32O 2s -0.001975 0.009411 -0.008033 0.034678 -0.009134 -0.012672 32O 3s 0.001724 0.001511 -0.000357 0.003795 0.003497 0.011236 32O 4s 0.013792 -0.133679 0.146770 -0.462289 0.181134 0.154632 32O 5s 0.015921 0.146012 -0.369130 0.463717 -0.563664 -0.346907 32O 1pz -0.032771 -0.026277 0.086489 0.015660 -0.026578 0.077434 32O 1px -0.011359 0.012490 0.007060 0.060947 -0.006536 -0.010153 32O 1py -0.004273 0.015367 0.022594 0.060028 0.005535 0.026904 32O 2pz -0.064734 -0.055435 0.172653 0.003219 -0.050121 0.165199 32O 2px -0.026561 0.025491 0.004693 0.181956 -0.029035 -0.053790 32O 2py -0.012679 0.035755 0.028396 0.154454 -0.001267 0.048834 32O 3pz 0.219604 0.131762 -0.490036 -0.009431 0.014713 -0.502730 32O 3px 0.101377 -0.040717 0.146191 -0.501489 0.474144 0.360249 32O 3py 0.031685 -0.105304 -0.176961 -0.513163 -0.344689 -0.245928 32O 1dz2 -0.000451 -0.000367 0.001653 0.000668 0.004057 0.001900 32O 1dxz 0.000361 0.001069 0.001203 0.000890 0.004263 0.000764 32O 1dyz -0.001468 -0.000721 0.001534 0.000202 -0.000147 0.001544 32O 1dx2y2 0.000164 -0.000117 -0.000897 -0.000728 -0.001670 -0.001014 32O 1dxy -0.000424 -0.000417 -0.002189 0.000310 -0.004346 -0.002012 32O 2dz2 0.005085 -0.000270 -0.006247 -0.008002 0.001482 -0.002124 32O 2dxz -0.008556 0.006584 0.001778 0.009804 -0.005328 0.005792 32O 2dyz 0.006933 -0.000046 -0.007454 -0.013996 -0.005859 -0.008180 32O 2dx2y2 -0.002469 0.002994 0.009368 0.003354 0.006348 -0.002223 32O 2dxy -0.001042 -0.001164 0.003869 0.030183 0.021207 0.007695 32O 1f0 0.000179 -0.000203 -0.000611 -0.001094 -0.001047 -0.000594 32O 1f+1 0.000215 -0.000268 0.000311 0.000059 0.000592 0.000388 32O 1f-1 0.000512 -0.000166 -0.001172 -0.002206 -0.001696 -0.001155 32O 1f+2 -0.000492 0.000244 0.000506 0.001055 -0.000279 0.000540 32O 1f-2 -0.000302 0.000375 0.000062 -0.000543 -0.001374 0.000039 32O 1f+3 0.000173 -0.000264 -0.000566 0.000352 -0.000722 -0.000051 32O 1f-3 0.000242 -0.000091 -0.000178 -0.000293 0.000434 0.000162 33O 1s -0.006135 -0.004357 0.005058 0.001046 -0.006690 -0.008928 33O 2s -0.015408 -0.010760 0.013039 0.002670 -0.016875 -0.022806 33O 3s 0.034592 0.020086 -0.037407 -0.009551 0.038708 0.061707 33O 4s 0.002909 0.017080 0.019883 -0.012668 0.061839 -0.007757 33O 5s -0.176298 0.139228 0.449048 0.760542 -0.927946 -0.288886 33O 1pz 0.044674 0.013926 -0.064239 -0.001553 0.019174 0.048804 33O 1px -0.052764 0.013677 0.000401 0.048905 -0.073351 -0.001450 33O 1py 0.035784 0.020719 -0.011874 -0.021700 -0.030553 0.006096 33O 2pz -0.018004 0.019889 -0.065950 0.096958 -0.017920 0.037995 33O 2px -0.051763 0.043997 -0.088105 0.036063 -0.021580 0.131094 33O 2py 0.041339 0.065059 0.002156 -0.016027 -0.044856 0.012741 33O 3pz 0.227694 -0.174366 0.624565 -0.253947 -0.413111 -0.840587 33O 3px 0.239128 -0.353174 0.047308 -0.639464 0.336983 -0.177056 33O 3py 0.007414 -0.410482 0.128461 -0.044625 -0.056060 -0.373479 33O 1dz2 -0.003296 0.002712 -0.002730 0.001368 -0.001154 0.002102 33O 1dxz 0.002049 -0.000174 0.002962 0.001644 -0.004357 -0.003523 33O 1dyz -0.002222 -0.000233 0.000082 0.000630 -0.003342 -0.000298 33O 1dx2y2 0.001511 -0.002572 0.001821 -0.004707 0.003467 -0.000422 33O 1dxy 0.001195 -0.002434 0.002091 -0.000023 0.000265 -0.001188 33O 2dz2 -0.009093 -0.015780 0.017141 0.007086 -0.015881 -0.018919 33O 2dxz 0.029158 -0.016261 -0.022784 -0.026730 0.026493 0.026305 33O 2dyz 0.002257 -0.017202 0.021264 0.005216 -0.013936 -0.006090 33O 2dx2y2 -0.012746 0.001132 0.004499 0.013807 -0.014111 -0.014769 33O 2dxy 0.011208 -0.008485 -0.001501 -0.013373 0.005913 0.006653 33O 1f0 0.000541 -0.001046 0.000083 -0.001319 0.000505 0.000635 33O 1f+1 0.001003 -0.000322 -0.001970 -0.001170 0.002079 0.002427 33O 1f-1 -0.000016 -0.000472 0.000855 -0.000586 -0.000683 -0.001648 33O 1f+2 -0.001163 0.000840 0.000613 0.001069 -0.001574 -0.002022 33O 1f-2 0.000320 0.000502 -0.000663 -0.000594 -0.000003 0.000142 33O 1f+3 -0.000343 0.000846 0.000132 0.000106 -0.000773 -0.001141 33O 1f-3 0.000250 -0.000062 0.000215 -0.000525 0.000444 0.000710 34O 1s -0.008728 -0.003428 0.000630 -0.000245 0.004919 -0.001458 34O 2s -0.021436 -0.008063 0.001950 0.000481 0.012349 -0.003237 34O 3s 0.038646 0.010525 -0.010325 -0.023853 -0.025717 0.005657 34O 4s 0.074871 0.042830 -0.017207 0.074486 -0.062327 0.003398 34O 5s -0.418593 -0.426251 0.373786 0.857537 0.586784 -0.063540 34O 1pz 0.027104 -0.030198 0.001952 0.069392 0.041126 0.010755 34O 1px 0.093671 0.002121 -0.033495 -0.084727 -0.063040 -0.055071 34O 1py -0.033959 -0.011228 0.002145 0.001122 -0.022770 -0.020519 34O 2pz 0.051719 -0.067962 0.013153 0.145248 0.048125 0.027093 34O 2px 0.063140 -0.042241 -0.019157 -0.001442 -0.033160 -0.107196 34O 2py -0.015967 -0.051270 0.009523 -0.045712 -0.021665 -0.053941 34O 3pz -0.113418 0.035919 -0.176498 -0.586570 -0.064827 -0.215312 34O 3px -0.163570 0.059225 0.465315 0.585515 0.312933 -0.119938 34O 3py 0.042167 0.422362 -0.018623 0.050782 -0.185515 0.433280 34O 1dz2 0.000901 0.001513 0.002082 0.000769 0.001068 -0.001104 34O 1dxz -0.000296 0.002139 0.001533 0.003792 0.002869 -0.000067 34O 1dyz 0.001232 0.001429 0.000499 0.000398 -0.001733 0.000518 34O 1dx2y2 -0.000011 -0.001285 -0.005233 -0.005048 -0.004559 0.000970 34O 1dxy 0.001637 -0.002851 -0.001569 0.001163 -0.000285 -0.002122 34O 2dz2 0.022912 0.006895 -0.004390 -0.025345 -0.015916 -0.002271 34O 2dxz -0.000529 -0.005618 0.001825 -0.012512 -0.000935 -0.002057 34O 2dyz 0.002795 0.013209 0.007220 0.002137 -0.007076 -0.012516 34O 2dx2y2 -0.023335 0.007051 0.029367 0.039040 0.014206 0.003772 34O 2dxy 0.027779 0.011796 -0.008468 -0.022227 -0.016062 0.002707 34O 1f0 -0.000099 -0.000029 -0.000244 0.001359 -0.000202 0.001030 34O 1f+1 0.000580 -0.000377 -0.001753 -0.002147 -0.000800 0.000154 34O 1f-1 -0.000389 -0.000160 -0.000260 0.000848 0.000256 0.000040 34O 1f+2 0.000056 -0.000459 -0.001137 -0.000857 -0.000262 0.000223 34O 1f-2 0.000170 -0.000135 -0.000323 0.001146 0.000227 -0.000029 34O 1f+3 0.000682 -0.000862 -0.001678 -0.002488 -0.000767 -0.000563 34O 1f-3 -0.000927 -0.000739 0.000810 0.000819 0.000806 -0.000674 35O 1s 0.007406 -0.001105 0.004932 -0.001001 0.007417 0.001778 35O 2s 0.017991 -0.003205 0.011313 -0.002167 0.018288 0.003579 35O 3s -0.027781 0.016987 -0.010144 0.004569 -0.032486 0.016160 35O 4s -0.090956 -0.062819 -0.094200 0.053494 -0.113773 -0.156565 35O 5s 0.325970 -0.187625 0.575904 -0.872725 0.773987 0.197994 35O 1pz -0.024931 -0.010963 -0.002956 -0.046496 0.034436 0.001597 35O 1px -0.085170 0.012454 -0.005324 0.037417 -0.054870 -0.026495 35O 1py -0.048444 0.001824 0.034190 0.041082 -0.024095 -0.019865 35O 2pz -0.027030 -0.026040 -0.054658 -0.121392 0.030736 0.024279 35O 2px -0.071719 -0.033134 0.025059 -0.060427 -0.021643 -0.091935 35O 2py -0.031168 0.011349 0.087412 0.024880 -0.040353 -0.039472 35O 3pz 0.026638 -0.163050 0.494610 0.480719 0.120529 -0.607329 35O 3px 0.043818 0.047898 0.017520 -0.226350 0.483403 -0.065423 35O 3py -0.052690 -0.227227 -0.010656 -0.162098 0.367970 -0.343939 35O 1dz2 0.000425 -0.000539 0.000098 -0.002222 0.003651 -0.002139 35O 1dxz 0.001468 0.003211 -0.004096 -0.001986 0.002237 0.003743 35O 1dyz 0.001275 -0.000616 -0.000322 -0.001462 0.002722 0.000335 35O 1dx2y2 0.000171 0.000118 0.002617 0.003960 -0.003424 0.001142 35O 1dxy 0.001527 0.000327 0.000353 0.003582 -0.002243 0.002576 35O 2dz2 -0.014788 -0.009141 0.012360 0.018013 -0.013343 0.003612 35O 2dxz 0.013923 -0.006916 0.007844 -0.008109 0.012737 0.000846 35O 2dyz 0.009456 -0.013191 0.019564 0.005147 0.010692 0.008017 35O 2dx2y2 0.016058 -0.006458 -0.003974 -0.020999 0.011787 -0.003698 35O 2dxy 0.025035 -0.008870 0.006455 -0.030817 0.019986 -0.000519 35O 1f0 0.000021 0.000287 -0.001182 0.000368 -0.000579 -0.000147 35O 1f+1 -0.000480 -0.000487 0.000332 0.001880 -0.001023 0.000417 35O 1f-1 -0.000142 0.000661 -0.000351 0.000286 0.000134 -0.000813 35O 1f+2 -0.000002 -0.000746 0.000978 0.000080 0.000188 0.000271 35O 1f-2 0.000014 -0.000286 0.000640 -0.000099 0.000914 -0.000292 35O 1f+3 -0.000437 -0.000287 0.000393 0.000691 0.000307 0.000326 35O 1f-3 -0.000553 -0.000324 0.000277 0.001935 -0.001625 0.000370 216 217 218 219 220 221 0.57599 0.58202 0.58629 0.59162 0.61005 0.61137 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s 0.001771 -0.000424 0.004569 -0.002276 0.000470 -0.000861 0Rh 2s -0.006555 0.002113 -0.010843 0.006215 -0.000151 0.001218 0Rh 3s 0.006274 -0.001166 0.019937 -0.009430 0.002647 -0.004268 0Rh 4s 0.029430 -0.009745 0.045723 -0.026818 -0.000053 -0.004602 0Rh 5s -0.023875 0.012900 0.020466 0.000277 0.014388 -0.013795 0Rh 6s -0.056905 -0.001654 -0.331620 0.144217 -0.058219 0.080800 0Rh 7s -0.115889 0.384482 2.051596 -0.406870 0.158939 0.036020 0Rh 8s 0.786109 -0.922010 -0.592185 -2.321581 0.652639 -1.547147 0Rh 1pz -0.000104 0.004136 -0.005973 -0.001538 -0.013163 -0.004373 0Rh 1px 0.004828 -0.001978 -0.003849 -0.001818 -0.006131 -0.006527 0Rh 1py -0.001200 -0.000124 -0.001586 -0.009306 0.010515 0.003582 0Rh 2pz 0.000306 -0.014421 0.020705 0.005271 0.045575 0.015053 0Rh 2px -0.016613 0.006826 0.013578 0.006484 0.021056 0.022593 0Rh 2py 0.003934 0.000455 0.005299 0.032263 -0.036137 -0.012475 0Rh 3pz 0.000721 0.015572 -0.020306 -0.003816 -0.042522 -0.012502 0Rh 3px 0.013662 -0.005967 -0.017104 -0.009636 -0.016369 -0.020762 0Rh 3py 0.000853 -0.000929 -0.001294 -0.031286 0.028623 0.013281 0Rh 4pz -0.003864 0.009854 -0.020422 -0.012010 -0.059726 -0.024316 0Rh 4px 0.028911 -0.011013 -0.004413 0.004727 -0.040148 -0.032544 0Rh 4py -0.025228 0.001274 -0.021023 -0.036642 0.066647 0.007859 0Rh 5pz -0.000231 0.027667 -0.027567 0.012232 -0.010584 -0.011238 0Rh 5px -0.012103 0.006253 -0.000047 -0.027062 0.019324 0.010074 0Rh 5py 0.062104 -0.000841 0.027858 -0.013398 -0.028754 0.042704 0Rh 6pz 0.368785 -0.485593 -0.061937 0.401646 1.010293 1.097863 0Rh 6px -0.117836 -0.023920 -1.101779 0.807780 0.194105 0.314291 0Rh 6py -0.834126 -0.158648 -0.448702 -0.378799 -0.327660 -1.248605 0Rh 1dz2 -0.020721 -0.009992 -0.010421 0.002383 0.003436 0.000294 0Rh 1dxz -0.011317 -0.000195 0.011613 -0.008189 -0.010024 -0.006066 0Rh 1dyz 0.012621 0.000274 0.004821 -0.005754 -0.006319 0.003698 0Rh 1dx2y2 -0.001459 -0.011856 0.011104 -0.005234 -0.002548 -0.011534 0Rh 1dxy -0.004042 -0.004110 -0.001885 0.017641 0.008250 0.006304 0Rh 2dz2 0.004714 0.004147 0.000361 -0.000739 0.000310 -0.001320 0Rh 2dxz 0.002161 0.001536 -0.002496 0.000525 0.001769 0.000201 0Rh 2dyz -0.001398 -0.000563 -0.001178 0.000580 0.001097 -0.000526 0Rh 2dx2y2 0.001408 0.004005 -0.000444 0.000937 0.000534 0.001561 0Rh 2dxy 0.000112 0.001386 0.000926 -0.001802 -0.001457 -0.000951 0Rh 3dz2 0.020331 0.002138 0.018499 -0.001482 -0.007985 0.005017 0Rh 3dxz 0.012709 -0.005878 -0.011979 0.013618 0.012015 0.010963 0Rh 3dyz -0.018445 0.001546 -0.004350 0.008705 0.007586 -0.004824 0Rh 3dx2y2 -0.002849 0.006147 -0.019476 0.006112 0.002826 0.015680 0Rh 3dxy 0.007465 0.002088 -0.000174 -0.026455 -0.009957 -0.008200 0Rh 4dz2 0.083224 0.064472 0.015264 -0.012794 0.001039 -0.018988 0Rh 4dxz 0.041795 0.019444 -0.047972 0.015883 0.034662 0.008843 0Rh 4dyz -0.032540 -0.004073 -0.021869 0.013527 0.022703 -0.012939 0Rh 4dx2y2 0.019268 0.066163 -0.015625 0.018955 0.008695 0.034885 0Rh 4dxy 0.003738 0.023649 0.014862 -0.044448 -0.027452 -0.020615 0Rh 5dz2 -0.148243 -0.190170 0.071148 0.040559 -0.043090 0.106867 0Rh 5dxz -0.096711 -0.063461 0.147487 -0.003482 -0.074560 0.012294 0Rh 5dyz 0.027070 -0.057371 0.085402 0.004203 -0.078239 0.050130 0Rh 5dx2y2 -0.054973 -0.201060 -0.097925 -0.033533 -0.017089 -0.061835 0Rh 5dxy 0.058916 -0.089677 -0.054423 0.044563 0.031976 0.064444 0Rh 1f0 -0.001968 -0.009834 0.005713 -0.003418 0.000014 0.007311 0Rh 1f+1 -0.001138 0.004463 -0.009487 0.008445 0.003432 -0.001369 0Rh 1f-1 0.009749 0.000392 -0.001026 -0.005328 -0.004715 0.001216 0Rh 1f+2 0.005927 -0.001772 0.004261 0.001231 0.001676 0.001532 0Rh 1f-2 -0.011089 0.003757 -0.005856 -0.003137 0.007561 -0.006006 0Rh 1f+3 0.001131 -0.007322 -0.005976 0.007867 -0.005864 0.000898 0Rh 1f-3 0.011454 -0.010932 -0.007266 -0.004830 0.006421 -0.002173 1Rh 1s 0.001758 -0.000745 -0.004623 0.002276 0.000038 -0.000637 1Rh 2s -0.006549 0.003001 0.010992 -0.006129 -0.000404 0.000284 1Rh 3s 0.006199 -0.002487 -0.020157 0.009483 -0.000030 -0.003543 1Rh 4s 0.029428 -0.013585 -0.046372 0.026390 0.001962 -0.000361 1Rh 5s -0.024282 0.013127 -0.020365 0.000829 -0.004232 -0.018037 1Rh 6s -0.055224 0.018140 0.334603 -0.146438 0.006873 0.074926 1Rh 7s -0.133934 0.302049 -2.055177 0.428439 -0.216576 0.073230 1Rh 8s 0.825820 -1.082159 0.561327 2.298037 0.450508 -1.615351 1Rh 1pz 0.000267 -0.004050 -0.005874 -0.001645 -0.012900 -0.005121 1Rh 1px -0.004884 0.002237 -0.003674 -0.001808 -0.008951 0.001457 1Rh 1py 0.001130 0.000578 -0.001616 -0.009295 0.010713 0.002998 1Rh 2pz -0.000874 0.014104 0.020361 0.005653 0.044625 0.017770 1Rh 2px 0.016811 -0.007733 0.012972 0.006447 0.030851 -0.005161 1Rh 2py -0.003708 -0.002053 0.005406 0.032224 -0.036926 -0.010162 1Rh 3pz -0.000125 -0.014933 -0.019988 -0.004363 -0.040967 -0.017261 1Rh 3px -0.013948 0.007009 -0.016580 -0.009546 -0.025961 0.006839 1Rh 3py -0.000744 0.002940 -0.001410 -0.031219 0.031417 0.005121 1Rh 4pz 0.004394 -0.010687 -0.019944 -0.011651 -0.060233 -0.021829 1Rh 4px -0.028830 0.011410 -0.003441 0.004639 -0.052314 0.000665 1Rh 4py 0.023684 -0.001265 -0.021144 -0.036673 0.058522 0.031722 1Rh 5pz 0.000706 -0.025197 -0.027709 0.009047 -0.016806 0.006805 1Rh 5px 0.011867 -0.003894 -0.000449 -0.027483 0.021908 0.003115 1Rh 5py -0.059666 0.004826 0.028389 -0.013692 0.002876 -0.052109 1Rh 6pz -0.394555 0.429947 -0.061326 0.477860 1.454061 -0.270675 1Rh 6px 0.102323 -0.073104 -1.103571 0.827047 0.319249 -0.043463 1Rh 6py 0.827917 0.188634 -0.472681 -0.359723 -1.005981 0.825455 1Rh 1dz2 -0.020576 -0.009964 0.010946 -0.003029 -0.002807 -0.002570 1Rh 1dxz -0.011210 -0.000348 -0.011521 0.008169 0.011276 0.002101 1Rh 1dyz 0.012330 -0.000511 -0.004788 0.005671 0.002733 0.006916 1Rh 1dx2y2 -0.001889 -0.012103 -0.011114 0.004837 0.008915 -0.006801 1Rh 1dxy -0.003551 -0.001862 0.001910 -0.017789 -0.010220 -0.000180 1Rh 2dz2 0.004718 0.004154 -0.000574 0.001053 0.000601 -0.001135 1Rh 2dxz 0.002157 0.001504 0.002403 -0.000416 -0.001415 -0.001125 1Rh 2dyz -0.001324 -0.000448 0.001189 -0.000624 -0.000583 -0.001118 1Rh 2dx2y2 0.001447 0.004028 0.000339 -0.000690 -0.001298 0.000869 1Rh 2dxy 0.000024 0.001119 -0.000930 0.001859 0.001689 0.000187 1Rh 3dz2 0.020036 0.002055 -0.018624 0.001431 0.002918 0.009798 1Rh 3dxz 0.012521 -0.005455 0.012187 -0.014022 -0.015945 0.000670 1Rh 3dyz -0.018198 0.002576 0.004254 -0.008378 -0.002891 -0.008574 1Rh 3dx2y2 -0.002190 0.006523 0.019922 -0.006368 -0.011849 0.009358 1Rh 3dxy 0.006883 -0.001127 0.000142 0.026504 0.012768 -0.000360 1Rh 4dz2 0.083135 0.064548 -0.018626 0.017576 0.011167 -0.013678 1Rh 4dxz 0.041644 0.019283 0.046642 -0.014549 -0.030997 -0.017805 1Rh 4dyz -0.031161 -0.001660 0.021796 -0.013802 -0.010505 -0.024624 1Rh 4dx2y2 0.020266 0.066716 0.014292 -0.015291 -0.027054 0.021140 1Rh 4dxy 0.002072 0.017554 -0.014953 0.045376 0.033477 0.001349 1Rh 5dz2 -0.150031 -0.191439 -0.060996 -0.056039 -0.034064 0.110591 1Rh 5dxz -0.097705 -0.063861 -0.142245 0.000124 0.045245 0.066784 1Rh 5dyz 0.021683 -0.061681 -0.082337 -0.006498 0.033186 0.087618 1Rh 5dx2y2 -0.055220 -0.199719 0.104037 0.020276 0.049579 -0.045513 1Rh 5dxy 0.060649 -0.083092 0.055053 -0.048477 -0.061031 0.027075 1Rh 1f0 0.002005 0.010129 0.005241 -0.002617 0.004861 -0.006561 1Rh 1f+1 0.000893 -0.005538 -0.009288 0.008116 0.001914 0.002814 1Rh 1f-1 -0.009540 0.000215 -0.000913 -0.005240 -0.002985 -0.004009 1Rh 1f+2 -0.005704 0.001763 0.004362 0.001178 0.002128 0.000207 1Rh 1f-2 0.010972 -0.003722 -0.005788 -0.003543 0.002301 0.009625 1Rh 1f+3 -0.001051 0.006616 -0.006107 0.008414 -0.004118 -0.003879 1Rh 1f-3 -0.011572 0.010883 -0.007378 -0.004102 0.003913 0.005812 2C 1s -0.003798 -0.003395 0.011119 0.006410 0.001437 -0.003780 2C 2s -0.011268 -0.008014 0.028724 0.014010 0.002292 -0.009781 2C 3s 0.049600 -0.002669 -0.065942 0.022564 0.031970 0.020707 2C 4s -0.270732 0.202250 0.000495 -0.385193 -0.198211 -0.083973 2C 5s 3.528247 -1.107342 -1.348964 3.220856 2.354237 4.079574 2C 1pz -0.004732 0.023109 0.001576 0.014607 -0.004044 -0.028412 2C 1px 0.042395 -0.019359 -0.008726 0.025524 0.008025 -0.002870 2C 1py -0.006722 -0.035308 0.008588 0.021233 0.061158 0.015442 2C 2pz -0.048518 0.103493 0.106024 0.045188 -0.007906 -0.097932 2C 2px 0.127053 -0.045457 0.071097 0.109600 0.008567 -0.027427 2C 2py -0.140585 -0.183971 0.128249 0.090864 0.215618 0.025369 2C 3pz 0.931321 -0.363317 -0.480178 0.634754 0.613275 1.281481 2C 3px -0.310864 0.039278 0.463357 0.078156 -0.002951 0.246451 2C 3py 0.449609 0.313676 -0.441784 0.302772 -0.017109 0.408768 2C 1dz2 -0.000550 -0.003003 0.002893 0.000815 0.001755 0.002091 2C 1dxz -0.000075 -0.002848 -0.002231 0.000611 0.000071 0.002600 2C 1dyz 0.001765 0.001712 -0.001627 -0.000498 -0.000678 0.001869 2C 1dx2y2 -0.001290 -0.001567 -0.002746 -0.000953 0.001046 0.001259 2C 1dxy -0.000255 0.002711 -0.001946 -0.000188 -0.000505 -0.000819 2C 2dz2 -0.057997 -0.124730 -0.038908 0.061373 0.134515 0.086747 2C 2dxz -0.035162 0.010381 0.107631 -0.021307 0.044149 -0.036814 2C 2dyz 0.003526 0.057342 0.100619 0.045226 -0.033032 -0.057325 2C 2dx2y2 -0.048233 -0.056175 0.036672 -0.026256 0.046777 0.021321 2C 2dxy -0.040398 -0.102599 0.092150 -0.015186 0.025408 0.025182 2C 1f0 0.004492 0.003686 -0.005939 -0.000449 0.004530 0.003206 2C 1f+1 0.001866 0.004692 0.002135 0.000613 -0.000681 -0.000627 2C 1f-1 -0.000208 0.001812 0.000339 -0.001278 -0.000709 -0.000425 2C 1f+2 -0.001640 0.001402 0.007771 0.001537 0.003438 -0.002190 2C 1f-2 0.000771 0.002161 -0.001456 -0.004619 -0.000182 0.002979 2C 1f+3 -0.005189 -0.004664 0.009744 0.005485 0.005298 -0.002097 2C 1f-3 -0.000002 -0.002278 -0.001353 0.003094 -0.000369 -0.000132 3C 1s 0.009331 -0.001578 0.004683 -0.011399 0.007936 -0.004409 3C 2s 0.024756 -0.003199 0.010945 -0.029249 0.017864 -0.011646 3C 3s -0.048771 -0.012158 0.007700 0.054832 0.005712 0.014274 3C 4s 0.271644 -0.043768 -0.330468 0.130529 -0.228607 0.139076 3C 5s -9.973760 3.517792 2.004317 0.907910 5.902373 1.476207 3C 1pz 0.041237 0.007908 -0.016581 -0.034010 0.019750 -0.015996 3C 1px -0.017585 0.010600 0.045147 0.002769 0.008041 -0.005972 3C 1py -0.025874 0.046676 0.010053 -0.021576 -0.064245 -0.010664 3C 2pz 0.242715 0.099970 -0.076447 -0.126320 0.114776 -0.032527 3C 2px -0.072060 0.027409 0.212034 -0.077781 0.078037 -0.063969 3C 2py -0.117661 0.173259 0.051896 0.020775 -0.309591 -0.045829 3C 3pz -1.417166 0.040354 0.076706 1.077505 0.512509 0.770694 3C 3px -1.149301 0.262460 -0.073396 -0.492395 0.859549 0.011161 3C 3py 2.547004 -1.225354 -0.391448 -0.093454 -1.243588 -0.477915 3C 1dz2 -0.000119 -0.001379 0.001421 -0.000590 0.000576 0.000102 3C 1dxz -0.003980 -0.000764 -0.000285 0.000375 0.001585 0.001298 3C 1dyz 0.004600 0.002046 -0.000629 -0.000777 -0.001476 -0.002340 3C 1dx2y2 0.004594 -0.005939 -0.004331 0.002298 -0.001630 0.000751 3C 1dxy 0.001751 -0.003406 0.004424 -0.001630 -0.001436 -0.000263 3C 2dz2 -0.088680 -0.170977 -0.017232 0.066183 0.012088 0.064469 3C 2dxz 0.058749 -0.028264 -0.001392 0.049140 0.041388 0.042836 3C 2dyz 0.032576 0.003525 -0.029217 0.089945 -0.118449 0.015637 3C 2dx2y2 -0.032206 -0.014170 0.030778 0.001782 -0.029761 -0.000061 3C 2dxy -0.014414 0.068940 -0.060013 0.055559 -0.084399 -0.003403 3C 1f0 -0.004663 -0.000854 -0.001210 0.007405 -0.004324 0.002509 3C 1f+1 -0.001844 0.002159 0.000230 0.002484 -0.000661 0.000426 3C 1f-1 -0.008958 -0.003053 -0.001199 0.002056 -0.004472 0.000573 3C 1f+2 0.009888 -0.003585 0.006649 -0.009647 0.006222 -0.007001 3C 1f-2 0.007110 -0.002152 -0.000110 -0.005030 0.001038 -0.002771 3C 1f+3 -0.000357 -0.004802 0.000179 0.000086 0.005283 0.001953 3C 1f-3 0.002302 0.003222 0.001304 0.000411 -0.002581 -0.001685 4C 1s -0.008594 0.006776 -0.004583 -0.002583 -0.001940 0.006244 4C 2s -0.020389 0.015324 -0.011076 -0.004636 -0.003704 0.015804 4C 3s 0.093822 -0.072394 0.103230 -0.074220 -0.083170 -0.120889 4C 4s -0.110032 0.288766 -0.531242 0.821235 0.832645 0.560133 4C 5s -2.776101 1.407733 0.409586 -1.472540 -0.690766 -1.501214 4C 1pz 0.065639 -0.024742 0.015466 -0.034609 0.015217 -0.028585 4C 1px -0.025248 0.032677 -0.125780 -0.029873 0.001543 0.033792 4C 1py 0.011438 -0.002186 -0.072127 -0.041034 -0.056892 -0.035720 4C 2pz -0.119781 0.170651 0.061346 -0.015268 0.070403 -0.046506 4C 2px 0.028757 -0.096614 -0.231025 0.281459 0.139580 0.177137 4C 2py -0.128301 -0.065334 -0.073968 0.117626 0.127042 0.077860 4C 3pz 0.885827 0.145628 -0.242595 1.459494 1.193715 2.233279 4C 3px 0.525277 -0.178275 -0.638941 0.755536 0.418751 0.486262 4C 3py 0.796439 -0.453500 -0.041429 1.289237 1.048462 1.878652 4C 1dz2 0.002641 -0.001423 -0.001098 -0.003752 -0.007710 -0.003529 4C 1dxz 0.007308 -0.006639 -0.006739 0.003378 -0.000780 -0.000674 4C 1dyz 0.004917 0.002984 -0.005577 0.002368 0.008526 0.004483 4C 1dx2y2 -0.011496 0.002074 0.001887 0.007826 -0.001282 -0.002132 4C 1dxy 0.002244 -0.001752 -0.005748 0.008794 0.003981 0.005887 4C 2dz2 0.081638 0.164049 0.003691 -0.085145 -0.126635 -0.075223 4C 2dxz 0.114169 -0.001773 0.177137 0.057396 -0.074747 -0.060383 4C 2dyz -0.057003 -0.121573 0.065229 0.043175 0.031676 0.023602 4C 2dx2y2 0.050472 0.224884 -0.114741 0.031309 0.055082 0.004337 4C 2dxy -0.034893 -0.052472 0.040628 0.113365 0.095703 0.074745 4C 1f0 0.004428 0.001444 0.007621 -0.002511 -0.009206 -0.005274 4C 1f+1 0.009353 -0.007036 0.005285 -0.004987 -0.013981 -0.005823 4C 1f-1 0.001642 0.000864 0.004182 -0.005283 -0.003901 -0.002479 4C 1f+2 -0.003539 0.013810 -0.012507 -0.000094 0.004882 0.001215 4C 1f-2 0.001444 0.000486 0.001562 0.003791 0.002962 0.001051 4C 1f+3 -0.004734 0.000526 -0.004511 -0.002193 -0.002961 -0.001474 4C 1f-3 0.004273 0.000260 0.003282 -0.014318 -0.007351 -0.005732 5C 1s -0.000041 -0.000005 -0.001300 0.007304 -0.007478 0.006321 5C 2s 0.000054 0.000424 -0.001903 0.017164 -0.016777 0.015500 5C 3s -0.071066 0.034443 -0.013369 -0.127784 -0.083051 -0.157468 5C 4s 0.085996 -0.282781 0.124370 0.575242 1.523104 1.002278 5C 5s 7.042018 -2.509933 -1.246607 0.422548 -2.322391 0.265168 5C 1pz 0.012227 0.000282 0.016391 0.071127 -0.018010 0.010135 5C 1px 0.025386 -0.038043 -0.138198 -0.003996 -0.011177 -0.037710 5C 1py -0.006808 0.006408 0.000033 -0.015977 0.092823 0.038801 5C 2pz 0.320708 0.049182 -0.070061 0.066530 0.123287 0.067223 5C 2px -0.173958 -0.164252 0.158919 -0.036620 0.015353 0.079638 5C 2py -0.295627 0.128253 0.056503 -0.072506 -0.220228 -0.180811 5C 3pz -2.756195 1.454765 0.572026 -0.580109 2.564634 0.219269 5C 3px -1.431772 0.817243 0.335220 1.118433 1.007111 1.259892 5C 3py 4.585505 -1.558391 -0.559311 -0.437698 -4.280606 -1.462573 5C 1dz2 -0.002733 -0.001154 -0.003587 -0.004010 -0.007981 -0.007780 5C 1dxz -0.007999 0.001851 -0.000848 0.003154 -0.006200 -0.001290 5C 1dyz 0.005805 0.002848 0.003460 -0.003740 -0.009835 -0.004820 5C 1dx2y2 0.003374 -0.002105 0.005087 -0.005967 0.001814 0.003758 5C 1dxy 0.012239 0.000435 -0.004088 -0.005749 0.001403 -0.004010 5C 2dz2 0.094294 0.206785 -0.045420 -0.085116 -0.123688 -0.099426 5C 2dxz -0.078431 0.165443 0.158893 -0.156202 -0.128052 -0.152222 5C 2dyz -0.158885 -0.150546 0.032910 0.061129 -0.033831 0.047859 5C 2dx2y2 0.113151 0.004480 0.066985 0.151838 0.099317 0.096308 5C 2dxy 0.147926 0.020871 -0.238309 0.126197 0.024991 0.092544 5C 1f0 -0.010496 -0.000097 0.007764 -0.004418 -0.006872 -0.004268 5C 1f+1 -0.005535 0.006424 -0.009506 -0.006315 -0.010332 -0.007343 5C 1f-1 -0.006561 -0.008608 0.002791 0.001009 0.002638 0.002680 5C 1f+2 0.005563 0.001917 -0.004358 0.005779 0.000272 0.001514 5C 1f-2 0.018863 -0.006200 -0.012265 0.012357 0.010450 0.012100 5C 1f+3 -0.007628 0.008084 -0.007629 -0.007157 -0.009428 -0.010475 5C 1f-3 0.014499 -0.008912 -0.003423 0.009239 0.012754 0.011096 6C 1s -0.000006 0.000564 0.001530 -0.007478 0.001975 0.009778 6C 2s 0.000114 0.001755 0.002432 -0.017541 0.003604 0.023076 6C 3s -0.072370 0.022624 0.011532 0.131609 0.162135 -0.077386 6C 4s 0.098754 -0.217266 -0.115121 -0.602088 -1.814327 -0.139949 6C 5s 7.072803 -2.447147 1.212124 -0.557285 1.676025 1.697219 6C 1pz -0.012404 -0.005370 0.016490 0.070614 -0.008641 -0.018869 6C 1px -0.028173 0.036264 -0.138048 -0.003240 -0.034200 0.030646 6C 1py 0.005371 -0.007177 -0.000597 -0.015619 0.097791 0.025456 6C 2pz -0.326654 -0.059428 -0.063062 0.061025 0.134200 0.020446 6C 2px 0.185213 0.167356 0.151253 -0.024613 0.065988 -0.059623 6C 2py 0.301929 -0.119654 0.056357 -0.081435 -0.283546 0.008661 6C 3pz 2.748434 -1.423498 0.571327 -0.654233 2.183451 1.382141 6C 3px 1.445144 -0.904929 0.328614 1.099269 1.539863 -0.362560 6C 3py -4.563156 1.633346 -0.525667 -0.383958 -4.311468 -1.463301 6C 1dz2 -0.002594 -0.001401 0.003587 0.004034 0.010905 -0.000822 6C 1dxz -0.008140 0.002069 0.000901 -0.002947 0.005769 0.002818 6C 1dyz 0.005429 0.002284 -0.003664 0.003931 0.010742 0.002116 6C 1dx2y2 0.003074 -0.002457 -0.005026 0.005648 -0.003988 0.002144 6C 1dxy 0.012592 0.000070 0.003890 0.005992 0.001244 -0.003948 6C 2dz2 0.092772 0.198240 0.037757 0.100722 0.163593 -0.005423 6C 2dxz -0.085464 0.149659 -0.162740 0.169050 0.191660 -0.034614 6C 2dyz -0.158164 -0.146727 -0.024735 -0.072242 -0.005131 0.059403 6C 2dx2y2 0.114240 0.017859 -0.067940 -0.150432 -0.136883 0.025913 6C 2dxy 0.155401 0.036177 0.234990 -0.124870 -0.067224 0.047507 6C 1f0 0.010806 0.000680 0.007552 -0.004431 -0.007721 -0.001200 6C 1f+1 0.005414 -0.006007 -0.009381 -0.006706 -0.012786 -0.000183 6C 1f-1 0.006643 0.008576 0.002427 0.001711 0.003936 -0.000448 6C 1f+2 -0.005611 -0.002404 -0.004234 0.005611 0.000801 -0.000448 6C 1f-2 -0.019438 0.004916 -0.012196 0.012770 0.015271 -0.002699 6C 1f+3 0.007640 -0.007422 -0.007475 -0.007748 -0.014055 0.003334 6C 1f-3 -0.014685 0.007725 -0.003471 0.009848 0.016885 -0.001313 7C 1s -0.008466 0.006712 0.004687 0.002804 -0.002420 0.006561 7C 2s -0.020051 0.015330 0.011343 0.005136 -0.007024 0.015814 7C 3s 0.090452 -0.078716 -0.104334 0.069697 0.137202 -0.045338 7C 4s -0.093879 0.338207 0.534814 -0.796450 -0.975418 -0.114456 7C 5s -2.800960 1.211455 -0.486656 1.609144 1.469397 -0.666728 7C 1pz -0.064584 0.027103 0.016522 -0.033136 -0.003815 0.026378 7C 1px 0.023725 -0.033203 -0.125845 -0.032952 0.018610 -0.019664 7C 1py -0.011285 0.004504 -0.070880 -0.041631 -0.068021 -0.005683 7C 2pz 0.120538 -0.160324 0.067394 -0.028673 0.021635 0.086269 7C 2px -0.035218 0.064641 -0.237071 0.281807 0.212594 -0.048514 7C 2py 0.125219 0.056529 -0.077157 0.119141 0.145866 0.020815 7C 3pz -0.929101 -0.267587 -0.302996 1.473464 2.296223 -0.889518 7C 3px -0.532360 0.091891 -0.647946 0.789018 0.609977 -0.093206 7C 3py -0.833593 0.338873 -0.117765 1.356101 1.990941 -0.749528 7C 1dz2 0.002565 -0.001908 0.001036 0.003627 0.008254 0.002074 7C 1dxz 0.007496 -0.005935 0.006870 -0.003857 0.000975 0.000099 7C 1dyz 0.005063 0.003235 0.005574 -0.002269 -0.009339 -0.001969 7C 1dx2y2 -0.011563 0.002374 -0.001752 -0.007588 0.002357 -0.001154 7C 1dxy 0.002419 -0.000921 0.005840 -0.009012 -0.006569 0.001845 7C 2dz2 0.079771 0.157962 -0.010226 0.096205 0.150594 0.013420 7C 2dxz 0.110659 0.002579 -0.178829 -0.053729 0.093897 0.006484 7C 2dyz -0.056408 -0.115948 -0.059969 -0.050331 -0.041604 -0.000120 7C 2dx2y2 0.053000 0.224820 0.108121 -0.014259 -0.039664 -0.032957 7C 2dxy -0.034514 -0.045048 -0.038953 -0.113646 -0.121805 0.003740 7C 1f0 -0.004213 -0.001109 0.007664 -0.002562 -0.010337 -0.001823 7C 1f+1 -0.009095 0.007178 0.005224 -0.004386 -0.014324 -0.004047 7C 1f-1 -0.001600 -0.000460 0.004270 -0.005278 -0.004607 -0.000253 7C 1f+2 0.003361 -0.013691 -0.012106 -0.001067 0.004049 0.002557 7C 1f-2 -0.001519 -0.000858 0.001570 0.003586 0.002890 0.001050 7C 1f+3 0.004714 -0.000362 -0.004597 -0.002088 -0.003252 -0.000364 7C 1f-3 -0.004073 0.000701 0.003393 -0.014066 -0.009164 0.000155 8C 1s 0.009320 -0.002447 -0.004918 0.011388 -0.003659 -0.007997 8C 2s 0.024712 -0.005412 -0.011559 0.029263 -0.007251 -0.019244 8C 3s -0.049229 -0.008461 -0.006903 -0.055551 -0.012568 0.006494 8C 4s 0.281725 -0.024176 0.333850 -0.135756 0.095226 0.250218 8C 5s -9.996568 3.573757 -1.952674 -0.747466 -5.579558 -2.506045 8C 1pz -0.041912 -0.006399 -0.015252 -0.035071 0.005540 0.023250 8C 1px 0.019499 -0.010506 0.045358 0.002780 0.002979 0.008109 8C 1py 0.027585 -0.044292 0.010508 -0.024022 -0.057103 -0.031516 8C 2pz -0.246177 -0.094685 -0.068126 -0.135031 0.067852 0.087141 8C 2px 0.078840 -0.020711 0.212801 -0.077594 0.026983 0.087714 8C 2py 0.126023 -0.169978 0.053194 0.010687 -0.273437 -0.152169 8C 3pz 1.415419 -0.124643 0.050426 1.086382 0.870383 -0.270057 8C 3px 1.144484 -0.240902 -0.079354 -0.511288 0.704083 0.533071 8C 3py -2.549363 1.232664 -0.375836 -0.042139 -1.276588 -0.392879 8C 1dz2 -0.000142 -0.001419 -0.001385 0.000505 -0.000583 -0.000251 8C 1dxz -0.004028 -0.000714 0.000374 -0.000539 -0.002073 -0.000048 8C 1dyz 0.004559 0.001968 0.000460 0.000977 0.002657 -0.000954 8C 1dx2y2 0.004696 -0.005661 0.004412 -0.002666 0.000914 0.001332 8C 1dxy 0.001678 -0.003649 -0.004340 0.001388 0.001157 0.000973 8C 2dz2 -0.088380 -0.167204 0.023442 -0.080998 -0.048845 0.034620 8C 2dxz 0.062117 -0.023784 0.001796 -0.049426 -0.057863 0.007957 8C 2dyz 0.034179 0.010709 0.029393 -0.088672 0.085234 0.087901 8C 2dx2y2 -0.032055 -0.017463 -0.028618 -0.002591 0.021481 0.016440 8C 2dxy -0.017033 0.073876 0.058257 -0.050920 0.073067 0.039739 8C 1f0 0.004777 0.000363 -0.001381 0.007544 -0.001974 -0.004253 8C 1f+1 0.001729 -0.002324 0.000330 0.002177 -0.000326 -0.000326 8C 1f-1 0.008862 0.002837 -0.001458 0.002263 -0.003022 -0.003322 8C 1f+2 -0.009731 0.004316 0.006867 -0.009539 0.000889 0.008717 8C 1f-2 -0.007181 0.002576 0.000145 -0.005068 -0.000796 0.002801 8C 1f+3 0.000091 0.004801 0.000057 0.000283 0.005529 0.001674 8C 1f-3 -0.002523 -0.003052 0.001382 0.000001 -0.002918 -0.000428 9C 1s -0.003858 -0.003159 -0.011173 -0.006405 0.001282 -0.004178 9C 2s -0.011437 -0.007586 -0.028842 -0.013984 0.004399 -0.009845 9C 3s 0.050168 0.000340 0.065938 -0.022835 -0.037509 -0.002500 9C 4s -0.272380 0.165137 -0.002485 0.392161 0.204665 0.058051 9C 5s 3.608788 -0.749931 1.478199 -3.348360 -4.349853 1.591983 9C 1pz 0.005376 -0.022546 0.003117 0.012311 -0.022337 0.022036 9C 1px -0.043145 0.016486 -0.008154 0.026427 0.004610 0.006177 9C 1py 0.005404 0.033855 0.007292 0.023154 0.058126 0.026161 9C 2pz 0.050099 -0.099563 0.111918 0.035454 -0.073941 0.085676 9C 2px -0.129137 0.037013 0.072124 0.109554 -0.008369 0.021934 9C 2py 0.136094 0.179560 0.121510 0.101532 0.188537 0.116460 9C 3pz -0.956484 0.283002 -0.528199 0.683883 1.273656 -0.587764 9C 3px 0.310145 -0.029994 0.440537 0.077501 0.156184 -0.163473 9C 3py -0.454215 -0.345830 -0.435954 0.301931 0.235642 -0.312932 9C 1dz2 -0.000557 -0.002899 -0.002721 -0.001062 -0.002790 0.000664 9C 1dxz -0.000038 -0.002698 0.002324 -0.000893 -0.001622 0.001707 9C 1dyz 0.001805 0.001657 0.001609 0.000543 -0.000581 0.001772 9C 1dx2y2 -0.001301 -0.001647 0.002750 0.000847 -0.001548 0.000310 9C 1dxy -0.000247 0.002705 0.001991 0.000395 0.000945 -0.000376 9C 2dz2 -0.055184 -0.117895 0.043649 -0.070461 -0.160067 -0.020963 9C 2dxz -0.037056 0.004421 -0.108034 0.022395 -0.014324 -0.050713 9C 2dyz 0.003117 0.058016 -0.101850 -0.039767 0.061589 -0.028090 9C 2dx2y2 -0.046444 -0.054438 -0.032577 0.022434 -0.052840 -0.008420 9C 2dxy -0.042698 -0.105595 -0.091524 0.008945 -0.037598 0.004504 9C 1f0 -0.004672 -0.003852 -0.005915 -0.000611 0.005597 0.000306 9C 1f+1 -0.001849 -0.004525 0.002179 0.000225 -0.000942 0.000084 9C 1f-1 0.000184 -0.001727 0.000443 -0.001232 -0.000905 0.000220 9C 1f+2 0.001807 -0.001273 0.008136 0.001423 0.001173 0.003913 9C 1f-2 -0.000666 -0.001833 -0.001309 -0.004612 0.001827 -0.002692 9C 1f+3 0.005212 0.004425 0.009622 0.005422 0.002900 0.005023 9C 1f-3 0.000122 0.002236 -0.001110 0.003471 -0.000226 0.000257 10H 1s -0.012825 0.006390 0.003383 0.003418 0.005447 -0.009523 10H 2s -0.332387 0.034581 0.310762 0.005862 0.075524 -0.224000 10H 3s 0.202398 0.062139 -0.478773 -0.279024 -0.175658 -0.093754 10H 1pz -0.006029 -0.003021 0.021287 -0.001544 0.000598 -0.006225 10H 1px 0.004455 0.001125 -0.000200 -0.001045 -0.007773 0.000865 10H 1py -0.012463 -0.007567 0.014971 0.000180 0.005070 -0.005208 11H 1s -0.004437 -0.010521 0.019138 0.013513 0.005604 -0.008928 11H 2s -0.070276 -0.019758 0.374838 0.192124 -0.078069 -0.242990 11H 3s -0.492389 -0.034220 0.269511 -0.354370 -0.039718 0.099718 11H 1pz 0.009389 0.017984 0.004456 0.000568 -0.011215 -0.011040 11H 1px 0.002353 -0.004103 0.008752 0.011505 -0.000970 -0.001167 11H 1py 0.000278 0.011276 -0.003325 -0.004000 -0.003466 -0.005340 12H 1s -0.006592 -0.001669 0.025070 0.013754 0.007071 -0.019675 12H 2s -0.253828 -0.203565 0.409390 0.241198 0.223528 -0.204428 12H 3s -0.461201 0.606222 0.034197 -0.473300 -0.586566 -0.341303 12H 1pz -0.008536 -0.013556 -0.007109 -0.002915 0.001679 0.007076 12H 1px -0.001121 -0.001068 0.007952 0.009329 0.001860 -0.002801 12H 1py -0.015432 -0.019917 0.006647 0.010671 0.015750 0.001515 13H 1s 0.034192 -0.021835 -0.009553 -0.015651 0.019142 -0.003829 13H 2s 0.799506 -0.240812 -0.135259 -0.286173 0.260131 -0.083171 13H 3s 0.425534 -0.208465 -0.155833 0.843359 -0.803969 0.336677 13H 1pz 0.025218 0.004124 0.002484 -0.005479 0.004014 -0.002757 13H 1px -0.010965 0.007778 0.005249 -0.002144 -0.005784 -0.002332 13H 1py -0.016953 -0.004978 -0.003393 0.009082 -0.004000 0.004033 14H 1s 0.025778 -0.016285 0.005347 -0.011447 0.020923 0.000727 14H 2s 0.500696 -0.095051 0.159526 -0.406849 0.236931 -0.191920 14H 3s 0.298437 -0.440201 -0.459402 0.091045 -0.341937 0.213773 14H 1pz 0.019826 0.010485 -0.000341 -0.008207 -0.004195 -0.009395 14H 1px 0.001746 0.000904 0.011925 -0.017927 0.008548 -0.011345 14H 1py -0.011127 -0.010150 0.001219 0.005972 0.006573 0.009055 15H 1s 0.020127 -0.002135 0.006081 -0.013298 0.026126 -0.007875 15H 2s 0.377860 -0.204822 0.129241 -0.321669 0.377581 -0.149515 15H 3s 0.424233 0.317489 -0.245543 -0.650265 -0.314367 -0.127140 15H 1pz 0.002264 -0.014079 -0.007475 0.009999 -0.014985 0.005267 15H 1px -0.003288 -0.003982 0.004369 -0.004869 -0.000692 -0.001475 15H 1py -0.002908 0.024979 -0.004369 0.008508 -0.003902 0.004305 16H 1s 0.023883 -0.030979 0.009941 -0.026635 0.003692 -0.016750 16H 2s 0.104840 0.030874 0.227387 0.063202 -0.128188 0.127495 16H 3s -0.349567 0.662687 0.419037 0.314444 -0.521162 0.455594 16H 1pz -0.012121 0.016093 0.015978 0.017294 -0.001738 0.014855 16H 1px 0.004428 -0.010427 0.007500 -0.019033 -0.003262 -0.008730 16H 1py 0.003802 0.012377 0.010764 0.007593 -0.019524 0.009544 17H 1s -0.012153 0.006603 -0.009183 -0.015413 0.009774 -0.032166 17H 2s 0.145623 0.137548 0.004696 0.214354 -0.163342 0.229996 17H 3s -0.017411 -0.005121 0.079345 0.836815 -0.040846 1.113027 17H 1pz 0.002308 -0.006699 0.003390 -0.013559 0.003656 -0.009499 17H 1px -0.032929 -0.002674 -0.006929 -0.015052 0.033805 -0.027169 17H 1py 0.007109 0.008803 0.005571 0.021778 -0.005019 0.023734 18H 1s -0.010896 0.005439 0.008301 0.017231 0.012392 -0.030946 18H 2s 0.149689 0.151779 -0.008523 -0.206593 -0.006370 0.288424 18H 3s -0.023654 0.055608 -0.053455 -0.863027 -0.654503 0.914130 18H 1pz -0.001739 0.008305 0.003249 -0.013990 -0.003249 0.010738 18H 1px 0.032174 0.003982 -0.007116 -0.016046 0.010262 0.042689 18H 1py -0.006668 -0.010015 0.005300 0.021022 0.010514 -0.021474 19H 1s 0.023755 -0.032993 -0.009974 0.024514 0.007564 -0.014595 19H 2s 0.101210 0.017071 -0.227460 -0.059812 0.027960 0.180240 19H 3s -0.366795 0.670268 -0.419199 -0.279375 0.128850 0.680515 19H 1pz 0.012320 -0.015258 0.015745 0.015474 0.007444 -0.011603 19H 1px -0.003986 0.011183 0.007316 -0.017869 -0.007430 0.004296 19H 1py -0.003096 -0.012481 0.011133 0.007469 -0.009533 -0.020005 20H 1s 0.020574 -0.002745 -0.006647 0.013475 -0.015933 -0.021252 20H 2s 0.380261 -0.225683 -0.134742 0.311454 -0.213183 -0.340835 20H 3s 0.428391 0.275676 0.240676 0.666778 0.319689 0.101898 20H 1pz -0.002350 0.013377 -0.007883 0.010926 -0.008757 -0.013111 20H 1px 0.003713 0.004283 0.004498 -0.004649 -0.001424 0.001205 20H 1py 0.002811 -0.025888 -0.003851 0.006824 -0.000880 -0.006205 21H 1s 0.025952 -0.016746 -0.005488 0.010397 -0.017145 -0.011581 21H 2s 0.495904 -0.118749 -0.170974 0.403137 -0.074379 -0.276051 21H 3s 0.310536 -0.421214 0.469479 -0.116440 0.133623 0.365546 21H 1pz -0.019620 -0.009945 0.000626 -0.009314 -0.009363 0.004252 21H 1px -0.001068 0.000284 0.012316 -0.017879 0.000211 0.013364 21H 1py 0.011169 0.009747 0.000811 0.006754 0.010836 -0.002833 22H 1s 0.034963 -0.022540 0.009414 0.014605 -0.012673 -0.014462 22H 2s 0.812960 -0.256950 0.125891 0.278394 -0.155246 -0.208549 22H 3s 0.425906 -0.143999 0.165729 -0.861703 0.441795 0.755330 22H 1pz -0.025276 -0.003663 0.003079 -0.005983 0.001633 0.003262 22H 1px 0.011473 -0.007609 0.005201 -0.002440 -0.005784 -0.001637 22H 1py 0.017167 0.004125 -0.003907 0.009622 -0.000929 -0.004965 23H 1s -0.006748 -0.001798 -0.025433 -0.013362 0.006482 -0.020283 23H 2s -0.252894 -0.198588 -0.408005 -0.244864 -0.054571 -0.304425 23H 3s -0.474791 0.551784 -0.053605 0.502780 0.674567 0.099130 23H 1pz 0.008454 0.013479 -0.007541 -0.002176 0.005597 -0.004287 23H 1px 0.000936 0.000428 0.007569 0.009037 -0.000214 0.003447 23H 1py 0.015157 0.019085 0.006096 0.011760 0.013692 0.008495 24H 1s -0.004564 -0.010342 -0.019366 -0.013924 0.001263 -0.011568 24H 2s -0.074557 -0.020785 -0.382252 -0.186024 0.216077 -0.159455 24H 3s -0.492857 -0.068671 -0.248346 0.349277 -0.037815 0.097034 24H 1pz -0.009078 -0.017714 0.005184 -0.001092 -0.016158 0.001841 24H 1px -0.002343 0.003531 0.008716 0.011746 -0.001393 0.000734 24H 1py -0.000220 -0.010796 -0.002877 -0.004560 -0.005920 0.001420 25H 1s -0.012870 0.005932 -0.003859 -0.002485 0.002226 -0.012014 25H 2s -0.337417 0.019820 -0.318561 0.004857 0.088652 -0.235763 25H 3s 0.203478 0.046465 0.464430 0.274268 0.189347 0.063655 25H 1pz 0.006332 0.003528 0.021528 -0.001467 -0.003422 0.005128 25H 1px -0.004622 -0.001184 -0.000498 -0.000925 -0.005106 -0.005773 25H 1py 0.012524 0.007705 0.014747 0.000504 0.000959 0.006721 26O 1s -0.003112 -0.000581 0.000246 -0.001639 -0.003116 -0.000523 26O 2s -0.006090 -0.000961 0.000689 -0.004675 -0.007508 -0.000928 26O 3s -0.015940 -0.006032 -0.006864 0.021296 0.014563 -0.001836 26O 4s 0.169253 0.057335 -0.002091 0.017195 0.072508 0.080902 26O 5s -0.265170 -0.227269 0.384215 -0.962890 -0.944167 -0.933383 26O 1pz -0.036727 0.005741 0.026928 0.016479 0.016983 -0.006375 26O 1px 0.050922 -0.020422 -0.059362 -0.069338 -0.030093 -0.011099 26O 1py -0.012802 -0.007385 0.030447 0.009938 -0.015581 0.002380 26O 2pz -0.069889 0.005769 0.118777 0.044797 0.041183 0.009968 26O 2px 0.070952 -0.027969 -0.130549 -0.048542 0.012404 0.025881 26O 2py -0.037612 -0.009786 0.115469 0.065589 0.017782 0.022696 26O 3pz -0.044482 -0.064025 -0.835446 -0.160224 0.001909 -0.131478 26O 3px -0.263502 -0.025709 -0.136978 0.867184 0.656031 0.570322 26O 3py 0.164168 0.310568 -0.839879 0.106552 0.143136 0.057106 26O 1dz2 0.002395 0.001130 0.003450 -0.003053 -0.003431 -0.000601 26O 1dxz -0.000821 0.000001 -0.005820 -0.000701 0.000632 0.001405 26O 1dyz -0.001415 -0.001559 -0.000072 -0.000897 -0.000167 0.001402 26O 1dx2y2 -0.001192 -0.002503 -0.000778 0.006510 0.004092 0.003971 26O 1dxy 0.001615 0.004899 -0.006253 0.002014 0.000655 -0.000073 26O 2dz2 0.001684 0.006722 0.010344 0.014506 0.008171 0.011045 26O 2dxz -0.006182 0.005367 0.007054 -0.012885 -0.008381 -0.003734 26O 2dyz -0.000024 -0.011315 0.026766 -0.004558 0.005669 -0.007211 26O 2dx2y2 0.023037 0.001733 -0.006459 -0.032697 -0.016361 -0.007821 26O 2dxy 0.005278 0.002679 0.005112 -0.028355 -0.027537 -0.026201 26O 1f0 -0.000830 0.000666 0.000880 -0.000414 -0.000030 -0.000140 26O 1f+1 0.000008 -0.000102 0.000052 -0.002001 -0.000317 -0.001150 26O 1f-1 0.000551 -0.000408 -0.000471 -0.000886 0.000563 -0.000937 26O 1f+2 -0.000192 -0.001813 0.000327 -0.000166 0.001400 0.000751 26O 1f-2 0.000607 0.000073 -0.001575 0.000142 0.000902 0.000151 26O 1f+3 0.002517 0.002021 -0.000809 -0.001750 -0.001559 -0.001710 26O 1f-3 0.000793 -0.000217 0.000862 -0.002098 -0.002224 -0.001888 27O 1s 0.000122 0.002718 -0.001255 -0.007650 -0.003058 -0.008236 27O 2s -0.001047 0.006790 -0.003573 -0.018239 -0.006498 -0.020052 27O 3s 0.027900 -0.020128 0.015586 0.025991 -0.003887 0.035156 27O 4s -0.170470 0.019708 -0.015633 0.135464 0.197028 0.134174 27O 5s 0.624858 0.182031 -0.447982 -0.816461 -1.471311 -0.938691 27O 1pz -0.014781 0.002328 0.031225 -0.046705 0.032792 -0.012086 27O 1px 0.003533 0.011284 -0.075114 -0.001297 -0.052162 -0.032000 27O 1py -0.019836 -0.000416 0.009892 0.021371 -0.050360 -0.013255 27O 2pz -0.063756 0.014255 0.107878 -0.154779 0.087717 -0.059371 27O 2px 0.008589 -0.042041 -0.037206 0.045926 -0.033020 -0.005301 27O 2py -0.002188 -0.008376 -0.047454 0.070763 -0.170204 -0.022802 27O 3pz 0.457529 -0.440169 -0.561778 0.708163 -0.487728 0.402141 27O 3px -0.075272 -0.356068 0.329875 0.441434 0.893051 0.926736 27O 3py -0.619774 0.276816 0.454295 -0.600423 0.673931 -0.336405 27O 1dz2 0.001787 0.004134 -0.000395 -0.001518 -0.003110 -0.002132 27O 1dxz 0.000968 -0.004248 -0.004573 0.004780 -0.001453 0.002420 27O 1dyz 0.001365 -0.002007 -0.000861 0.001358 -0.000479 0.001298 27O 1dx2y2 -0.001098 -0.004048 0.000497 -0.000277 0.006098 0.002850 27O 1dxy -0.003092 -0.000382 0.003204 -0.003437 0.002438 -0.000216 27O 2dz2 0.009867 0.000022 0.020726 0.005813 0.015458 0.018570 27O 2dxz 0.008324 -0.002949 0.006944 -0.011061 0.008033 0.002675 27O 2dyz -0.002068 -0.002455 -0.031232 0.012126 0.008350 0.007119 27O 2dx2y2 0.008142 0.017871 -0.033501 -0.005170 -0.032196 -0.031806 27O 2dxy -0.009707 -0.010387 0.012478 0.026025 0.012706 0.019318 27O 1f0 0.000624 0.001870 0.000485 -0.001461 0.000537 -0.000410 27O 1f+1 -0.000509 0.000317 -0.001357 -0.001009 -0.000591 -0.002410 27O 1f-1 0.000276 0.000390 -0.000145 0.000241 -0.000365 0.000507 27O 1f+2 -0.001275 -0.000685 -0.000804 0.001175 0.000063 0.000308 27O 1f-2 -0.000104 0.001663 0.000584 -0.000759 -0.000406 -0.001267 27O 1f+3 0.000340 0.001036 -0.002169 -0.000473 -0.002156 -0.002282 27O 1f-3 0.000072 0.000038 0.001556 0.002985 -0.000641 0.002357 28O 1s 0.000352 -0.004223 0.009338 -0.002134 -0.002730 -0.002302 28O 2s 0.002215 -0.010910 0.021937 -0.003903 -0.006443 -0.005057 28O 3s -0.025413 0.031044 -0.026092 -0.016790 0.009347 -0.000428 28O 4s 0.069132 -0.000508 -0.148780 0.170043 0.062110 0.092016 28O 5s 0.352170 -0.469943 0.281502 -0.356201 -0.457572 -0.507318 28O 1pz 0.006980 -0.008746 0.040110 0.012436 0.010021 -0.013625 28O 1px -0.090887 0.058351 -0.000906 0.001685 0.009857 0.001898 28O 1py 0.015624 -0.020439 0.024771 0.015726 0.004633 0.023412 28O 2pz -0.041400 0.042796 0.007891 0.026912 0.033806 -0.023383 28O 2px -0.106003 0.052778 0.059248 0.026737 -0.007233 -0.010344 28O 2py 0.038244 -0.067603 0.028581 0.050625 0.027118 0.083640 28O 3pz -0.027250 0.255447 0.028777 -0.240280 0.137253 0.098710 28O 3px 0.331911 -0.505209 0.059730 -0.138615 -0.249823 -0.219855 28O 3py -0.132063 0.502714 -0.040886 -0.226030 -0.055491 -0.439842 28O 1dz2 0.000398 -0.000901 -0.001948 0.000878 0.000616 -0.001345 28O 1dxz 0.000999 -0.000998 -0.002797 0.001097 -0.002045 0.001304 28O 1dyz 0.000190 0.000113 -0.002442 -0.000597 -0.000546 0.000735 28O 1dx2y2 -0.000434 0.003821 0.002395 0.000293 0.000047 -0.002160 28O 1dxy -0.000033 -0.003752 0.000396 0.001278 0.000808 0.002069 28O 2dz2 0.011974 0.013603 0.012701 -0.002184 -0.005056 -0.005034 28O 2dxz -0.012353 0.043034 -0.025360 -0.005145 0.001884 0.011477 28O 2dyz 0.012737 -0.012642 -0.011183 0.011059 -0.005619 0.001905 28O 2dx2y2 0.032118 -0.000086 0.002974 -0.005627 -0.015876 -0.012385 28O 2dxy -0.000893 -0.004897 -0.021102 -0.001526 0.012875 0.008915 28O 1f0 0.000720 -0.001998 0.000407 -0.000566 0.001296 0.000283 28O 1f+1 0.000793 -0.000704 0.002640 0.000475 -0.000291 -0.000767 28O 1f-1 0.000456 0.001339 0.000431 -0.000032 0.000067 -0.000936 28O 1f+2 -0.002389 0.001243 -0.001269 -0.000230 0.001332 0.002194 28O 1f-2 -0.000016 -0.001934 0.001583 0.001101 0.000529 -0.000295 28O 1f+3 -0.001693 0.000374 0.000573 0.000309 0.000719 0.000944 28O 1f-3 -0.000534 -0.000505 0.001918 0.000799 -0.000272 -0.000526 29O 1s 0.005029 -0.004741 0.002925 -0.006931 0.002136 -0.009154 29O 2s 0.010665 -0.010128 0.006281 -0.015059 0.004541 -0.020115 29O 3s 0.009213 -0.005491 0.005584 -0.005326 0.002740 -0.004234 29O 4s -0.180174 0.217434 -0.093037 0.323082 -0.139532 0.406939 29O 5s 0.208053 -0.610058 -0.039707 -0.967684 0.574726 -1.198130 29O 1pz 0.055851 -0.075932 -0.070584 0.019526 0.035203 0.007071 29O 1px 0.006208 0.018248 0.032858 0.074740 -0.036000 0.131442 29O 1py -0.021369 -0.040527 -0.040451 -0.108420 0.062958 -0.103646 29O 2pz 0.099109 -0.165600 -0.149665 0.051732 0.109727 0.019159 29O 2px -0.001671 0.036559 0.073986 0.169172 -0.071847 0.310336 29O 2py -0.059615 -0.074080 -0.084380 -0.201722 0.111361 -0.214675 29O 3pz -0.304129 0.490050 0.628946 -0.227686 -0.408815 -0.117385 29O 3px -0.079023 -0.177705 -0.300074 -0.647055 0.275955 -1.139874 29O 3py 0.245722 0.306486 0.311558 0.717080 -0.406709 0.860232 29O 1dz2 0.000357 0.000605 0.003224 -0.000179 -0.001732 0.001502 29O 1dxz 0.000926 0.001214 -0.000131 0.002589 -0.001380 0.002730 29O 1dyz -0.001264 0.001335 0.004402 -0.001927 -0.001302 -0.001020 29O 1dx2y2 -0.000270 -0.001108 -0.002159 -0.001536 0.001148 -0.002203 29O 1dxy -0.000893 -0.001945 -0.000938 -0.004437 0.002923 -0.005778 29O 2dz2 0.012554 -0.007962 -0.002648 -0.006560 -0.004461 0.002005 29O 2dxz -0.014229 0.004620 -0.011922 0.001268 0.007805 -0.006808 29O 2dyz 0.001597 -0.008950 -0.012213 0.000640 0.004120 -0.003439 29O 2dx2y2 -0.013278 0.010273 0.007384 0.006671 0.008152 -0.007054 29O 2dxy 0.022797 0.011574 0.009060 0.016331 -0.018493 0.032355 29O 1f0 0.000124 0.001216 0.000107 0.002082 -0.000933 0.001574 29O 1f+1 -0.000729 -0.000362 -0.000437 -0.000250 0.001111 -0.000404 29O 1f-1 -0.000114 0.001727 0.000712 0.002070 -0.001000 0.002028 29O 1f+2 0.000765 -0.000706 0.000443 -0.001154 -0.000494 -0.000391 29O 1f-2 0.001865 0.000398 0.001076 0.000711 -0.001730 0.001755 29O 1f+3 -0.001197 0.000038 0.000132 -0.000265 0.000868 -0.000630 29O 1f-3 -0.000735 0.000037 -0.000220 -0.000598 0.000598 -0.000842 30O 1s -0.003455 0.006108 0.004447 -0.003968 -0.002588 -0.003501 30O 2s -0.009640 0.014565 0.010973 -0.009610 -0.006171 -0.007855 30O 3s 0.044310 -0.020003 -0.024100 0.022016 0.009185 0.006456 30O 4s -0.072331 -0.089524 -0.028050 0.014503 0.133626 0.117021 30O 5s -0.456338 0.122834 0.570565 -0.242239 -1.683904 -0.878653 30O 1pz -0.008353 0.035320 0.047951 -0.021993 -0.016571 -0.040379 30O 1px 0.047009 0.002292 -0.036744 -0.033923 0.077582 0.030970 30O 1py 0.024020 -0.017469 -0.047039 0.029395 -0.014002 -0.013073 30O 2pz 0.079448 0.087972 0.013887 -0.028274 0.007725 -0.038837 30O 2px -0.044216 0.060829 0.003341 -0.128067 0.109060 0.009823 30O 2py -0.024803 -0.015151 0.013620 0.007662 -0.096743 -0.102799 30O 3pz 0.063096 -0.580882 -0.125651 0.463810 0.440953 0.403757 30O 3px -0.102246 -0.386173 0.324199 0.036514 -1.137393 -0.518791 30O 3py -0.512028 0.196487 -0.019504 -0.309580 -0.126544 0.128712 30O 1dz2 -0.000986 -0.002062 -0.000385 0.001698 -0.001340 0.000665 30O 1dxz -0.001466 0.003707 0.001150 -0.002385 -0.005667 -0.004448 30O 1dyz -0.002587 -0.000376 0.001115 -0.003735 -0.000469 -0.001777 30O 1dx2y2 0.000713 0.003209 -0.000671 -0.003785 0.004619 0.000843 30O 1dxy 0.006362 -0.000036 -0.000157 0.001632 0.003555 0.001520 30O 2dz2 0.024111 0.011703 0.006682 -0.003522 0.011702 0.006962 30O 2dxz 0.034123 0.014618 -0.023888 0.004650 0.022025 0.014370 30O 2dyz 0.014804 -0.018381 -0.014691 0.017434 0.032350 0.023873 30O 2dx2y2 0.009097 0.006962 -0.003113 0.009181 -0.012036 -0.008182 30O 2dxy -0.021556 0.008547 0.030604 -0.018829 -0.027676 -0.021389 30O 1f0 -0.002639 0.000144 0.000692 -0.000348 -0.001093 -0.000447 30O 1f+1 0.000351 0.001223 0.001252 -0.001134 -0.000044 0.000191 30O 1f-1 0.001077 0.002046 0.000037 -0.001489 -0.000849 -0.000707 30O 1f+2 0.000471 0.001281 -0.000038 -0.000415 0.001274 0.000979 30O 1f-2 0.002036 -0.000135 -0.002097 0.001831 0.001732 0.001513 30O 1f+3 -0.000592 -0.000784 0.001646 -0.001595 0.000742 0.000367 30O 1f-3 0.001826 0.000083 -0.000633 0.000433 0.001388 0.000927 31O 1s -0.003704 0.005699 -0.004581 0.004322 0.004046 -0.001038 31O 2s -0.010267 0.013560 -0.011289 0.010430 0.009368 -0.002106 31O 3s 0.045819 -0.017546 0.024389 -0.022755 -0.010947 -0.000618 31O 4s -0.069920 -0.087557 0.029837 -0.022132 -0.174392 0.006711 31O 5s -0.498187 0.070114 -0.557350 0.260655 1.857408 0.344890 31O 1pz 0.010575 -0.031369 0.049604 -0.025665 -0.038462 0.021481 31O 1px -0.048462 -0.001461 -0.035914 -0.033213 0.080185 0.025063 31O 1py -0.025338 0.014689 -0.046883 0.029187 -0.020589 0.004399 31O 2pz -0.077875 -0.084467 0.019355 -0.036891 -0.021942 0.037962 31O 2px 0.045342 -0.052495 0.004443 -0.130372 0.093487 0.061938 31O 2py 0.025351 0.016148 0.013150 0.004970 -0.139158 0.022393 31O 3pz -0.083837 0.533240 -0.148099 0.510672 0.607704 -0.057488 31O 3px 0.119323 0.404700 0.310505 0.053336 -1.205612 -0.308599 31O 3py 0.527448 -0.169509 -0.019762 -0.305265 -0.023743 -0.161836 31O 1dz2 -0.000938 -0.001900 0.000484 -0.001811 0.000582 0.001452 31O 1dxz -0.001655 0.003425 -0.001254 0.002722 0.007213 0.000033 31O 1dyz -0.002665 -0.000697 -0.001070 0.003703 0.001397 -0.001038 31O 1dx2y2 0.000763 0.002992 0.000540 0.003996 -0.004144 -0.002158 31O 1dxy 0.006511 0.000137 0.000060 -0.001589 -0.003675 -0.000884 31O 2dz2 0.024208 0.011673 -0.007168 0.004285 -0.013402 -0.001542 31O 2dxz 0.035036 0.016091 0.023028 -0.003826 -0.025423 -0.002596 31O 2dyz 0.016222 -0.016408 0.015151 -0.018725 -0.040170 -0.000849 31O 2dx2y2 0.009236 0.007750 0.002667 -0.008369 0.014903 0.000979 31O 2dxy -0.022707 0.006207 -0.030578 0.019364 0.034065 0.001710 31O 1f0 0.002700 -0.000082 0.000658 -0.000323 -0.001137 -0.000247 31O 1f+1 -0.000302 -0.001092 0.001278 -0.001195 0.000082 -0.000192 31O 1f-1 -0.001035 -0.001934 0.000115 -0.001637 -0.001112 -0.000033 31O 1f+2 -0.000472 -0.001272 -0.000012 -0.000474 0.001606 -0.000006 31O 1f-2 -0.002133 -0.000083 -0.002093 0.001835 0.002257 -0.000089 31O 1f+3 0.000615 0.000902 0.001609 -0.001524 0.000883 0.000049 31O 1f-3 -0.001857 -0.000135 -0.000608 0.000445 0.001630 0.000186 32O 1s 0.005154 -0.005316 -0.003177 0.006984 0.004167 -0.008139 32O 2s 0.010946 -0.011379 -0.006823 0.015170 0.009266 -0.017805 32O 3s 0.009116 -0.006038 -0.005912 0.005533 0.000716 -0.004582 32O 4s -0.184331 0.241293 0.102965 -0.324038 -0.146866 0.391540 32O 5s 0.218703 -0.665617 0.021019 0.958567 0.284271 -1.274211 32O 1pz -0.057896 0.070170 -0.070995 0.028400 0.033510 0.011959 32O 1px -0.004856 -0.023781 0.031112 0.076980 0.052010 -0.129635 32O 1py 0.018843 0.047755 -0.040375 -0.106238 -0.011545 0.119950 32O 2pz -0.104456 0.153398 -0.150716 0.070036 0.101187 0.044955 32O 2px 0.004114 -0.048915 0.069730 0.173818 0.132092 -0.297611 32O 2py 0.055011 0.087512 -0.084977 -0.196852 -0.038269 0.238640 32O 3pz 0.326770 -0.430824 0.628947 -0.288770 -0.402858 -0.130829 32O 3px 0.073054 0.222986 -0.289976 -0.658838 -0.474212 1.104929 32O 3py -0.231369 -0.348327 0.318529 0.696001 0.185712 -0.932935 32O 1dz2 0.000361 0.000345 -0.003057 0.000114 0.000411 0.002283 32O 1dxz 0.001001 0.001428 0.000184 -0.002638 -0.000637 0.003212 32O 1dyz -0.001392 0.000938 -0.004481 0.002112 0.001699 -0.000032 32O 1dx2y2 -0.000179 -0.001121 0.002221 0.001406 0.000390 -0.002421 32O 1dxy -0.000876 -0.002208 0.000947 0.004354 0.001147 -0.006452 32O 2dz2 0.011971 -0.006724 0.002481 0.005425 0.002679 0.004887 32O 2dxz -0.014378 0.003907 0.012059 0.000416 -0.001189 -0.011716 32O 2dyz 0.002141 -0.007871 0.012304 -0.001537 -0.001188 -0.005287 32O 2dx2y2 -0.013789 0.010489 -0.007237 -0.005834 -0.003008 -0.010808 32O 2dxy 0.021798 0.012256 -0.009207 -0.015925 -0.004949 0.037063 32O 1f0 -0.000094 -0.001219 0.000045 0.001919 0.000196 -0.001632 32O 1f+1 0.000743 0.000469 -0.000473 -0.000347 0.000621 0.001131 32O 1f-1 0.000075 -0.001788 0.000744 0.001981 0.000378 -0.002282 32O 1f+2 -0.000720 0.000802 0.000411 -0.001172 -0.000634 0.000053 32O 1f-2 -0.001817 -0.000411 0.001062 0.000728 -0.000294 -0.002462 32O 1f+3 0.001109 -0.000025 0.000137 -0.000251 0.000298 0.000917 32O 1f-3 0.000761 0.000003 -0.000224 -0.000599 0.000009 0.001050 33O 1s 0.000167 -0.004416 -0.009170 0.001852 0.003255 0.000234 33O 2s 0.001778 -0.011298 -0.021523 0.003148 0.007456 0.000778 33O 3s -0.024862 0.030187 0.025213 0.019283 -0.006272 -0.005686 33O 4s 0.072068 0.008232 0.148177 -0.172009 -0.099085 0.017510 33O 5s 0.339239 -0.453612 -0.283440 0.333960 0.650472 -0.042703 33O 1pz -0.007047 0.007468 0.040225 0.012582 -0.000370 0.016206 33O 1px 0.090880 -0.056309 -0.001363 -0.001798 0.007865 0.009581 33O 1py -0.015984 0.019378 0.024128 0.018013 0.018492 -0.014868 33O 2pz 0.040424 -0.044689 0.008966 0.024440 0.009007 0.045066 33O 2px 0.106872 -0.052629 0.057224 0.023481 -0.012176 0.011179 33O 2py -0.039478 0.063439 0.026010 0.057775 0.072713 -0.043740 33O 3pz 0.026358 -0.217860 0.038106 -0.262418 0.177901 -0.021761 33O 3px -0.325874 0.498064 0.060458 -0.108719 -0.318979 -0.032881 33O 3py 0.138039 -0.477717 -0.017444 -0.275309 -0.313327 0.281837 33O 1dz2 0.000414 -0.000827 0.001947 -0.000904 0.000268 -0.001261 33O 1dxz 0.001092 -0.000589 0.002855 -0.001102 0.000868 0.002286 33O 1dyz 0.000180 0.000085 0.002416 0.000610 0.000032 0.000900 33O 1dx2y2 -0.000495 0.003650 -0.002499 -0.000035 0.001345 -0.001953 33O 1dxy 0.000040 -0.003528 -0.000207 -0.001574 -0.001967 0.001043 33O 2dz2 0.011627 0.013809 -0.013050 0.003100 0.006980 -0.000554 33O 2dxz -0.011991 0.042112 0.024606 0.007711 -0.007216 0.006100 33O 2dyz 0.013163 -0.010645 0.011310 -0.011821 0.003509 0.004314 33O 2dx2y2 0.031805 -0.000097 -0.003666 0.005701 0.020057 0.001480 33O 2dxy -0.000530 -0.004238 0.021320 0.001168 -0.015427 -0.001485 33O 1f0 -0.000719 0.002015 0.000372 -0.000416 0.001256 0.000516 33O 1f+1 -0.000736 0.000695 0.002629 0.000525 -0.000665 0.000420 33O 1f-1 -0.000433 -0.001280 0.000509 -0.000147 -0.000515 0.000754 33O 1f+2 0.002334 -0.001233 -0.001296 -0.000302 0.002344 -0.000855 33O 1f-2 0.000025 0.001859 0.001535 0.001236 0.000287 0.000525 33O 1f+3 0.001692 -0.000371 0.000560 0.000289 0.001132 -0.000261 33O 1f-3 0.000557 0.000487 0.001887 0.000833 -0.000489 0.000201 34O 1s 0.000038 0.002008 0.001105 0.007837 0.007318 -0.004812 34O 2s -0.001210 0.005100 0.003226 0.018727 0.017090 -0.012310 34O 3s 0.027484 -0.017765 -0.015204 -0.027657 -0.018377 0.031375 34O 4s -0.166431 0.032960 0.019012 -0.133934 -0.234101 -0.014802 34O 5s 0.624614 0.106014 0.426281 0.841678 1.744224 0.128139 34O 1pz 0.015901 0.001248 0.031715 -0.046498 0.019302 0.028870 34O 1px -0.005057 -0.011321 -0.073854 -0.003759 -0.063776 -0.003036 34O 1py 0.020861 -0.000104 0.010392 0.021900 -0.049363 -0.019823 34O 2pz 0.066232 -0.001969 0.108859 -0.154872 0.036560 0.095609 34O 2px -0.009815 0.038356 -0.037370 0.046292 -0.031713 -0.016912 34O 2py 0.003803 0.004347 -0.045906 0.072366 -0.154519 -0.079989 34O 3pz -0.466953 0.383065 -0.572459 0.734920 -0.159297 -0.580495 34O 3px 0.083376 0.310157 0.313251 0.479557 1.281346 -0.198205 34O 3py 0.617183 -0.224973 0.447937 -0.622710 0.363403 0.646229 34O 1dz2 0.001805 0.003998 0.000235 0.001792 0.003822 0.000348 34O 1dxz 0.001143 -0.003862 0.004713 -0.005109 -0.000266 0.002583 34O 1dyz 0.001350 -0.001876 0.000908 -0.001461 -0.000336 0.001223 34O 1dx2y2 -0.001170 -0.003973 -0.000372 -0.000043 -0.006623 -0.001587 34O 1dxy -0.003145 -0.000704 -0.003110 0.003372 -0.001983 -0.001509 34O 2dz2 0.009332 0.000663 -0.020555 -0.006032 -0.023927 0.006739 34O 2dxz 0.008128 -0.003691 -0.006966 0.010593 -0.008154 -0.003022 34O 2dyz -0.001388 -0.000769 0.031336 -0.012592 -0.010242 -0.001633 34O 2dx2y2 0.008769 0.017522 0.032588 0.006777 0.045969 -0.007414 34O 2dxy -0.009811 -0.008268 -0.011879 -0.027127 -0.021873 0.007945 34O 1f0 -0.000616 -0.001753 0.000540 -0.001577 0.000186 0.000628 34O 1f+1 0.000462 -0.000232 -0.001331 -0.001073 -0.001968 0.001711 34O 1f-1 -0.000267 -0.000423 -0.000135 0.000237 0.000025 -0.000693 34O 1f+2 0.001216 0.000577 -0.000851 0.001234 0.000249 -0.000177 34O 1f-2 0.000107 -0.001591 0.000636 -0.000883 -0.001070 0.000650 34O 1f+3 -0.000362 -0.000997 -0.002100 -0.000580 -0.003176 0.000602 34O 1f-3 -0.000034 -0.000231 0.001531 0.002992 0.000909 -0.002334 35O 1s -0.003141 -0.000645 -0.000187 0.001659 0.002801 0.001302 35O 2s -0.006182 -0.001204 -0.000558 0.004769 0.006538 0.003399 35O 3s -0.015325 -0.003931 0.006831 -0.022080 -0.010188 -0.009542 35O 4s 0.168075 0.053575 0.001786 -0.012516 -0.106889 0.017972 35O 5s -0.280570 -0.285271 -0.398321 0.931444 1.301269 -0.126502 35O 1pz 0.037371 -0.006558 0.027491 0.014970 0.008143 0.019679 35O 1px -0.051246 0.023225 -0.058148 -0.067882 -0.032148 -0.008974 35O 1py 0.013191 0.007428 0.028689 0.010283 -0.009919 -0.012471 35O 2pz 0.071558 -0.006512 0.119577 0.041216 0.036512 0.024467 35O 2px -0.072621 0.027797 -0.128566 -0.048487 0.022014 -0.013732 35O 2py 0.037886 0.008215 0.110654 0.064745 0.031143 -0.011760 35O 3pz 0.033927 0.057577 -0.835735 -0.140854 -0.078635 0.095064 35O 3px 0.250002 -0.036008 -0.156672 0.866470 0.862412 -0.022134 35O 3py -0.173775 -0.336405 -0.816578 0.090208 0.121413 0.067250 35O 1dz2 0.002310 0.000847 -0.003555 0.003070 0.003030 0.001904 35O 1dxz -0.000760 -0.000039 0.005834 0.000629 -0.001344 0.000755 35O 1dyz -0.001436 -0.001687 0.000204 0.000783 -0.000807 0.001317 35O 1dx2y2 -0.001126 -0.001996 0.000915 -0.006600 -0.005612 0.000386 35O 1dxy 0.001666 0.005061 0.006092 -0.001601 -0.000230 -0.000768 35O 2dz2 0.001727 0.007522 -0.010466 -0.013736 -0.013119 0.004239 35O 2dxz -0.006578 0.004324 -0.007255 0.013061 0.009058 0.001231 35O 2dyz 0.000001 -0.011277 -0.026690 0.003919 -0.000987 -0.007235 35O 2dx2y2 0.022712 -0.000216 0.005860 0.032463 0.017683 0.004243 35O 2dxy 0.004760 0.000734 -0.005634 0.028568 0.037508 -0.003776 35O 1f0 0.000836 -0.000622 0.000882 -0.000476 -0.000124 0.000169 35O 1f+1 0.000015 0.000252 0.000061 -0.001972 -0.000927 0.000767 35O 1f-1 -0.000563 0.000431 -0.000448 -0.000864 -0.000094 0.001068 35O 1f+2 0.000191 0.001814 0.000263 -0.000042 0.001619 0.000146 35O 1f-2 -0.000638 -0.000131 -0.001558 0.000162 0.000811 0.000397 35O 1f+3 -0.002498 -0.001886 -0.000703 -0.001876 -0.002297 0.000375 35O 1f-3 -0.000729 0.000405 0.000901 -0.002081 -0.002899 0.000183 222 223 224 225 226 227 0.61610 0.62736 0.63844 0.64968 0.65229 0.65484 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s 0.002329 -0.006080 -0.000705 -0.000018 -0.001428 0.000396 0Rh 2s -0.005492 0.013310 0.002865 0.000962 0.002434 0.001221 0Rh 3s 0.010185 -0.027229 -0.002342 0.000489 -0.006823 0.003065 0Rh 4s 0.023178 -0.055440 -0.013003 -0.004731 -0.009624 -0.006684 0Rh 5s 0.011053 -0.042696 0.012573 0.011796 -0.018932 0.029372 0Rh 6s -0.172217 0.480008 0.018203 -0.022992 0.131132 -0.084470 0Rh 7s 1.272431 -2.358349 0.104811 0.131569 -0.524729 0.693824 0Rh 8s -1.169769 -2.116196 -0.525458 0.056016 -1.245772 -0.695700 0Rh 1pz 0.012693 -0.000730 -0.005831 -0.007937 -0.003526 0.002721 0Rh 1px -0.000319 0.001088 -0.003737 0.001565 -0.000923 0.004025 0Rh 1py 0.013018 0.003478 0.004008 -0.016275 -0.002612 -0.007467 0Rh 2pz -0.043624 0.002355 0.019839 0.027436 0.012131 -0.009325 0Rh 2px 0.001285 -0.003730 0.012918 -0.005347 0.003307 -0.013805 0Rh 2py -0.044925 -0.012084 -0.014020 0.056023 0.008446 0.025925 0Rh 3pz 0.034494 0.001206 -0.011429 -0.024530 -0.009791 0.006674 0Rh 3px -0.004278 0.002253 -0.011424 0.003498 -0.005278 0.010397 0Rh 3py 0.039135 0.011827 0.015902 -0.045295 0.003560 -0.025280 0Rh 4pz 0.080832 -0.016877 -0.054970 -0.039073 -0.020993 0.020114 0Rh 4px 0.006934 0.013484 -0.020623 0.012936 0.004791 0.025940 0Rh 4py 0.068621 0.015602 0.005999 -0.100551 -0.053433 -0.029535 0Rh 5pz -0.033098 0.032154 0.063330 -0.017918 -0.007869 -0.001244 0Rh 5px 0.005823 -0.040353 0.012181 -0.009278 -0.023164 0.008967 0Rh 5py 0.003375 -0.009676 0.038642 0.017356 0.057122 -0.021444 0Rh 6pz -0.385867 -0.778562 -0.473585 0.834558 0.835861 -1.086597 0Rh 6px -0.720165 1.307463 -0.067126 -0.044503 0.451109 -0.606436 0Rh 6py -1.295254 -0.256620 -0.245220 1.563112 0.826803 0.254370 0Rh 1dz2 -0.007964 0.002419 -0.001904 -0.003592 0.007743 0.002112 0Rh 1dxz 0.010744 0.007622 0.002759 -0.003721 -0.013727 0.005568 0Rh 1dyz -0.002640 -0.003658 0.000349 -0.003408 0.009462 0.008887 0Rh 1dx2y2 0.001287 -0.007379 -0.000324 -0.002420 0.010641 0.003615 0Rh 1dxy 0.016085 0.011130 -0.003738 -0.002173 -0.039750 0.009625 0Rh 2dz2 0.000626 -0.000795 0.000440 0.000761 -0.001631 -0.000604 0Rh 2dxz -0.002927 -0.000838 -0.001334 0.000318 0.001903 -0.001400 0Rh 2dyz 0.000372 0.000193 0.000695 0.001365 -0.001047 -0.002019 0Rh 2dx2y2 0.000674 0.000695 -0.000039 0.000687 -0.001184 -0.000035 0Rh 2dxy -0.001859 -0.001347 0.001024 -0.000016 0.007389 -0.001889 0Rh 3dz2 0.012846 -0.001344 0.001754 0.003733 -0.008325 -0.001487 0Rh 3dxz -0.008681 -0.011223 0.000324 0.006025 0.018956 -0.005029 0Rh 3dyz 0.003588 0.006357 -0.003672 0.000784 -0.014191 -0.008662 0Rh 3dx2y2 -0.005359 0.011291 0.000744 0.001822 -0.015927 -0.006920 0Rh 3dxy -0.023460 -0.016048 0.002893 0.004402 0.046803 -0.010740 0Rh 4dz2 0.015580 -0.012114 0.010131 0.015433 -0.029448 -0.012087 0Rh 4dxz -0.051457 -0.018473 -0.023061 0.006716 0.039449 -0.025664 0Rh 4dyz 0.007340 0.005970 0.010973 0.024142 -0.022167 -0.039779 0Rh 4dx2y2 0.010309 0.015342 0.000320 0.012539 -0.026043 -0.003426 0Rh 4dxy -0.041518 -0.030969 0.019774 0.000583 0.142070 -0.038099 0Rh 5dz2 0.022086 -0.000878 -0.061924 -0.057180 0.033428 0.076151 0Rh 5dxz 0.158645 -0.030805 0.114316 0.024518 -0.056487 0.094163 0Rh 5dyz -0.009058 0.024606 -0.094691 -0.125660 -0.051190 0.176847 0Rh 5dx2y2 -0.105426 0.076977 -0.007622 -0.049269 0.011887 -0.041568 0Rh 5dxy 0.035555 0.081901 -0.085844 0.017078 -0.282437 0.119863 0Rh 1f0 0.008298 -0.006706 0.002980 -0.006137 0.001318 0.003217 0Rh 1f+1 0.010179 -0.003230 -0.009826 0.007625 -0.002485 -0.019711 0Rh 1f-1 0.001995 0.006568 0.002863 -0.016360 0.007183 0.013713 0Rh 1f+2 -0.006595 0.012933 0.004504 -0.006050 0.010874 0.009538 0Rh 1f-2 0.000377 0.000904 -0.000499 0.008723 0.000824 -0.031746 0Rh 1f+3 -0.001619 0.009849 -0.004314 -0.001854 0.008218 0.004079 0Rh 1f-3 -0.000955 -0.000020 0.001838 -0.003935 -0.017230 0.017955 1Rh 1s -0.002362 0.006123 -0.000727 -0.000130 0.001422 0.000207 1Rh 2s 0.005527 -0.013236 0.002905 0.001154 -0.002038 0.001517 1Rh 3s -0.010356 0.027526 -0.002447 -0.000044 0.007033 0.002144 1Rh 4s -0.023292 0.055004 -0.013166 -0.005487 0.007680 -0.007830 1Rh 5s -0.011735 0.045119 0.012317 0.010315 0.023809 0.026525 1Rh 6s 0.175595 -0.487556 0.020162 -0.012693 -0.140657 -0.066409 1Rh 7s -1.265589 2.410227 0.081917 0.096214 0.614363 0.606077 1Rh 8s 1.088046 2.091708 -0.457792 -0.079625 1.134381 -0.765575 1Rh 1pz 0.012624 -0.000616 0.005723 0.008113 -0.002846 -0.002485 1Rh 1px -0.000118 0.001114 0.003547 -0.001452 -0.001453 -0.004150 1Rh 1py 0.013116 0.003193 -0.003234 0.016273 -0.000189 0.008250 1Rh 2pz -0.043386 0.001963 -0.019479 -0.028040 0.009771 0.008490 1Rh 2px 0.000587 -0.003821 -0.012250 0.004939 0.005118 0.014227 1Rh 2py -0.045260 -0.011100 0.011346 -0.055959 0.000083 -0.028571 1Rh 3pz 0.034258 0.001549 0.011336 0.025026 -0.007487 -0.005568 1Rh 3px -0.003580 0.002338 0.010626 -0.002811 -0.006538 -0.010572 1Rh 3py 0.039311 0.010974 -0.013522 0.044177 0.010779 0.026527 1Rh 4pz 0.080517 -0.016266 0.053642 0.040073 -0.018412 -0.020288 1Rh 4px 0.007782 0.013598 0.020450 -0.013623 0.001041 -0.027399 1Rh 4py 0.069669 0.014040 -0.002237 0.104412 -0.040248 0.037311 1Rh 5pz -0.032751 0.031906 -0.062783 0.018649 -0.005820 0.004534 1Rh 5px 0.005423 -0.040389 -0.014267 0.012036 -0.024169 -0.007251 1Rh 5py 0.001125 -0.009109 -0.036492 -0.023293 0.057819 0.018375 1Rh 6pz -0.396844 -0.762034 0.510131 -0.900291 0.884347 1.024755 1Rh 6px -0.721433 1.311603 0.099655 0.008308 0.531185 0.579412 1Rh 6py -1.235558 -0.272109 0.181699 -1.639756 0.653972 -0.381412 1Rh 1dz2 0.007819 -0.002578 -0.002388 -0.002887 -0.007960 0.002319 1Rh 1dxz -0.010861 -0.007449 0.003409 -0.004627 0.013959 0.005505 1Rh 1dyz 0.002982 0.003615 0.000486 -0.002462 -0.008419 0.009982 1Rh 1dx2y2 -0.001841 0.007377 -0.000140 -0.001007 -0.010464 0.005067 1Rh 1dxy -0.015893 -0.011278 -0.003607 -0.006386 0.040489 0.005666 1Rh 2dz2 -0.000648 0.000811 0.000586 0.000610 0.001636 -0.000632 1Rh 2dxz 0.002919 0.000809 -0.001399 0.000431 -0.002061 -0.001412 1Rh 2dyz -0.000456 -0.000186 0.000657 0.001277 0.000864 -0.002160 1Rh 2dx2y2 -0.000563 -0.000701 -0.000076 0.000485 0.001274 -0.000225 1Rh 2dxy 0.001823 0.001392 0.001033 0.000755 -0.007571 -0.001130 1Rh 3dz2 -0.012468 0.001582 0.002091 0.002979 0.008734 -0.001773 1Rh 3dxz 0.008943 0.011008 -0.000667 0.007330 -0.018732 -0.004847 1Rh 3dyz -0.003892 -0.006306 -0.003784 -0.000704 0.012941 -0.010224 1Rh 3dx2y2 0.005964 -0.011259 0.000546 -0.000102 0.015196 -0.008972 1Rh 3dxy 0.023241 0.016144 0.002602 0.009407 -0.047460 -0.006175 1Rh 4dz2 -0.015808 0.012524 0.012621 0.012790 0.029644 -0.012601 1Rh 4dxz 0.051431 0.017870 -0.024637 0.009144 -0.042172 -0.025799 1Rh 4dyz -0.008963 -0.005811 0.010393 0.022204 0.018343 -0.042591 1Rh 4dx2y2 -0.008149 -0.015429 -0.000475 0.008442 0.027276 -0.007477 1Rh 4dxy 0.040711 0.031823 0.019737 0.015509 -0.145715 -0.023611 1Rh 5dz2 -0.017969 0.000863 -0.069540 -0.055402 -0.028943 0.072836 1Rh 5dxz -0.156883 0.033401 0.114908 0.021486 0.073197 0.093427 1Rh 5dyz 0.015307 -0.025399 -0.094741 -0.133683 0.064983 0.171913 1Rh 5dx2y2 0.100127 -0.078121 -0.004101 -0.045195 -0.023514 -0.035662 1Rh 5dxy -0.031320 -0.086532 -0.087455 -0.013044 0.296725 0.089774 1Rh 1f0 0.008127 -0.006555 -0.003351 0.005875 0.001224 -0.003983 1Rh 1f+1 0.010163 -0.003416 0.009483 -0.007745 -0.000705 0.019147 1Rh 1f-1 0.002003 0.006663 -0.002668 0.015719 0.007035 -0.014148 1Rh 1f+2 -0.006575 0.012839 -0.004689 0.005110 0.010052 -0.010829 1Rh 1f-2 0.000689 0.000313 0.000818 -0.008984 0.004036 0.031939 1Rh 1f+3 -0.001663 0.009933 0.003798 0.001151 0.007899 -0.005469 1Rh 1f-3 -0.000532 0.000064 -0.001127 0.005548 -0.018661 -0.015236 2C 1s -0.005047 0.003599 -0.004472 -0.002450 -0.005941 0.004443 2C 2s -0.011197 0.010716 -0.012757 -0.007052 -0.016553 0.013583 2C 3s 0.005878 -0.063157 0.037157 0.039665 0.020812 -0.041907 2C 4s 0.042299 0.274583 -0.250501 -0.216344 -0.046181 0.147727 2C 5s -5.168936 -3.585283 3.582688 0.482182 5.862010 0.824895 2C 1pz -0.058767 -0.017239 -0.024019 -0.003272 0.014790 0.003797 2C 1px 0.012955 -0.044593 0.003781 -0.001600 -0.001648 0.009258 2C 1py -0.011433 0.012169 0.003120 -0.002992 0.000092 -0.008800 2C 2pz -0.318161 0.035500 -0.106160 -0.097928 0.029633 -0.034280 2C 2px 0.049147 -0.146603 0.006158 0.043231 -0.023514 0.140420 2C 2py -0.086981 0.038223 -0.071131 0.023929 0.097690 0.081750 2C 3pz -1.117472 -0.537029 1.069108 -0.137809 1.141508 -0.053902 2C 3px -0.768528 0.165399 -0.007217 -0.088063 0.060778 0.889503 2C 3py -0.882777 -0.892487 0.260077 0.240308 1.309701 0.540655 2C 1dz2 0.000739 -0.002787 0.000183 -0.000661 0.001571 0.002375 2C 1dxz -0.003153 0.005063 0.002077 -0.000969 0.000420 -0.000322 2C 1dyz -0.003003 -0.000419 0.002767 -0.000672 0.001735 -0.000008 2C 1dx2y2 0.001188 0.001860 0.002385 0.000393 -0.002415 -0.003208 2C 1dxy -0.001773 0.001657 -0.001460 0.001439 0.005180 0.001894 2C 2dz2 -0.040692 0.096263 0.047146 0.039189 -0.007808 -0.017417 2C 2dxz 0.031979 -0.090632 -0.101173 -0.015312 -0.011625 0.043824 2C 2dyz -0.114323 -0.050955 -0.069157 0.001683 0.017003 0.111310 2C 2dx2y2 0.060432 -0.036031 -0.025795 0.040582 0.013447 0.121094 2C 2dxy 0.014368 0.003054 0.039188 -0.099910 -0.194284 -0.061361 2C 1f0 -0.000174 0.001981 -0.000696 0.002565 0.009053 0.000344 2C 1f+1 -0.002615 -0.003654 0.001310 0.001063 -0.002377 0.000472 2C 1f-1 -0.005180 0.002727 -0.000038 -0.002284 0.004204 -0.007300 2C 1f+2 0.000181 0.000858 -0.005085 -0.000867 -0.008325 0.005077 2C 1f-2 0.004332 -0.003866 0.004058 0.002234 0.003998 -0.001300 2C 1f+3 -0.002958 -0.000102 -0.004762 0.003194 -0.004224 0.007238 2C 1f-3 -0.002631 0.000345 0.000895 0.000958 0.000794 0.000466 3C 1s -0.001158 0.001505 0.002364 0.003432 0.003164 -0.003097 3C 2s -0.003525 0.002127 0.007600 0.010079 0.008790 -0.007672 3C 3s 0.020254 0.036375 -0.024476 -0.039002 0.004028 0.013001 3C 4s -0.055851 -0.292260 0.115003 0.185191 -0.096640 0.036107 3C 5s 2.209238 2.823276 -0.721706 -0.788793 -1.255994 -3.054258 3C 1pz 0.038549 0.034169 -0.001823 -0.009501 -0.009302 -0.000240 3C 1px 0.021135 0.019030 -0.010197 -0.002899 -0.015220 -0.012664 3C 1py 0.010423 -0.002535 -0.005299 -0.011059 -0.007985 0.015060 3C 2pz 0.163546 0.094500 -0.036959 0.052677 -0.032082 0.004152 3C 2px 0.078556 -0.034611 0.041818 0.130293 0.038466 -0.051115 3C 2py 0.028427 -0.014927 -0.056264 0.012009 0.043040 0.068815 3C 3pz 0.214553 0.025027 -0.391048 0.009423 -0.182128 -0.336248 3C 3px -0.113139 -0.293635 0.273442 0.835293 0.358849 -0.258914 3C 3py -0.592917 -0.868423 0.111814 0.451744 0.527202 0.855736 3C 1dz2 -0.000867 -0.001431 0.000822 -0.001979 -0.001539 0.000588 3C 1dxz -0.000835 -0.000951 -0.000942 0.005700 0.003585 0.000270 3C 1dyz -0.000096 0.002578 0.000103 -0.000017 0.001424 0.001740 3C 1dx2y2 -0.002662 0.000903 -0.000216 -0.001082 0.000996 0.001572 3C 1dxy 0.001105 -0.005360 -0.000359 0.003677 0.002075 0.002384 3C 2dz2 -0.151468 -0.038533 0.011247 0.070265 0.100502 0.009620 3C 2dxz 0.007678 0.046686 0.006296 -0.192690 -0.075153 -0.029464 3C 2dyz 0.089550 -0.051908 -0.059677 -0.009822 -0.051591 0.034840 3C 2dx2y2 -0.054862 -0.114972 0.017881 -0.019374 -0.005445 0.003218 3C 2dxy -0.072362 0.181254 0.001230 -0.149733 -0.077327 -0.004473 3C 1f0 -0.004223 -0.001010 -0.000057 -0.003875 -0.000999 -0.000215 3C 1f+1 -0.003503 0.001869 -0.000444 0.000999 0.001416 0.000064 3C 1f-1 0.005843 -0.003680 0.000111 0.001984 -0.002841 0.000677 3C 1f+2 0.000978 -0.000781 0.007883 0.002523 0.006964 -0.003158 3C 1f-2 0.000346 0.003584 0.000683 0.002552 0.003952 0.000014 3C 1f+3 0.000415 -0.002512 0.002496 -0.006767 -0.003815 -0.001125 3C 1f-3 0.002178 -0.004684 0.001184 -0.004633 -0.001565 -0.001234 4C 1s 0.006886 -0.001469 0.001855 -0.004402 -0.003372 0.007626 4C 2s 0.016152 -0.004912 0.004532 -0.009972 -0.010039 0.018554 4C 3s 0.061140 0.144213 -0.007523 -0.021378 0.054466 -0.000227 4C 4s -1.418734 -1.060590 0.027249 0.580887 0.405367 -0.821780 4C 5s 2.027786 1.164256 -2.573827 -0.194025 -3.056069 -0.262703 4C 1pz 0.095148 -0.001362 -0.012036 -0.010551 0.044663 -0.067940 4C 1px -0.046819 0.080032 0.089219 0.116404 0.027929 0.000412 4C 1py 0.005705 -0.004903 0.024470 0.040016 0.015432 -0.035074 4C 2pz -0.273434 -0.093398 -0.198637 -0.168086 -0.028869 -0.268675 4C 2px 0.111642 -0.132170 0.410802 0.921818 0.129196 -0.016210 4C 2py -0.079818 -0.093260 0.025885 0.278826 0.077549 -0.162196 4C 3pz -4.066836 -1.997778 0.736045 -0.577752 2.359699 2.457544 4C 3px -0.502643 0.091499 0.146809 0.404592 1.324945 -0.924439 4C 3py -2.426414 -0.689050 0.695475 -0.366585 1.822993 0.979788 4C 1dz2 -0.003617 -0.004127 0.001724 -0.005619 0.005680 0.001262 4C 1dxz 0.006010 -0.000993 0.003704 0.005823 0.011481 0.003127 4C 1dyz -0.007753 -0.005501 0.004346 0.003172 0.008655 -0.004504 4C 1dx2y2 -0.007994 -0.006096 -0.005090 0.007443 0.003331 -0.004068 4C 1dxy -0.004423 -0.001744 0.005169 0.005437 0.002399 -0.011929 4C 2dz2 -0.073547 0.109857 -0.085594 -0.158090 -0.115012 0.051982 4C 2dxz 0.196019 -0.076284 0.081694 0.179186 -0.101348 0.178569 4C 2dyz 0.032819 0.021292 -0.049100 0.001549 -0.116314 0.124570 4C 2dx2y2 -0.175100 -0.184945 -0.035187 0.051666 0.060347 -0.089291 4C 2dxy 0.052001 -0.164634 0.048989 0.165577 -0.049390 0.016420 4C 1f0 0.006393 -0.000135 -0.000700 -0.001933 0.001595 0.005144 4C 1f+1 0.010740 0.014944 0.005922 -0.004171 0.001790 0.009388 4C 1f-1 -0.003146 0.007879 -0.003666 -0.011179 -0.002129 0.000857 4C 1f+2 -0.018285 -0.004433 -0.006935 -0.009087 -0.000515 -0.012744 4C 1f-2 0.001823 -0.000774 0.003533 0.012156 -0.000234 0.007009 4C 1f+3 -0.006853 0.005529 -0.006448 -0.009888 0.006923 -0.001577 4C 1f-3 0.003883 0.019021 -0.003156 -0.020185 -0.000694 0.004325 5C 1s 0.002202 -0.003390 0.002817 0.003196 0.005145 -0.008119 5C 2s 0.005808 -0.007242 0.007389 0.007608 0.014261 -0.018426 5C 3s -0.091827 -0.072265 -0.054929 0.020844 -0.110699 -0.050040 5C 4s 0.573742 0.929684 0.190043 -0.535585 0.152506 1.073334 5C 5s -0.434278 -1.118193 1.157108 0.325885 1.253389 2.307649 5C 1pz -0.007556 -0.070569 -0.050689 0.019217 -0.027747 0.043038 5C 1px -0.091171 0.070140 0.073591 -0.111276 -0.043347 -0.020997 5C 1py -0.022773 0.004975 0.046838 0.015071 0.039153 -0.056765 5C 2pz 0.089757 0.030243 -0.138717 0.129508 0.072584 0.345277 5C 2px 0.007521 0.253877 0.447474 -0.640661 -0.053782 -0.247836 5C 2py -0.091690 -0.071572 0.015760 0.032418 0.019788 -0.411094 5C 3pz 0.704142 0.891295 0.592311 0.379545 0.256223 -1.255265 5C 3px 0.704463 1.700777 -0.374215 -0.697733 -0.230594 -0.986476 5C 3py -1.345518 -0.801233 -0.612855 -0.766918 0.304237 1.999483 5C 1dz2 0.006865 -0.006817 -0.001434 0.007797 -0.002798 -0.005042 5C 1dxz 0.003882 0.003531 -0.002419 -0.008482 -0.009572 -0.009502 5C 1dyz -0.008590 -0.002914 0.002305 0.003637 0.006294 -0.003929 5C 1dx2y2 0.003557 0.009668 0.007077 -0.006377 -0.000749 0.009440 5C 1dxy -0.001023 -0.006181 0.004009 -0.000130 0.001304 0.005753 5C 2dz2 -0.045129 0.029584 -0.112620 0.099433 0.017452 -0.021737 5C 2dxz -0.001192 -0.021300 0.073132 -0.065572 0.035082 -0.092101 5C 2dyz -0.004197 -0.125715 0.010122 -0.079471 -0.124390 -0.072379 5C 2dx2y2 0.198652 0.084364 0.030629 -0.149003 -0.013918 0.028279 5C 2dxy -0.014104 0.125655 -0.160989 0.029536 -0.055576 0.139238 5C 1f0 0.002113 -0.004943 0.004966 -0.007230 -0.006072 -0.010984 5C 1f+1 -0.003048 -0.005191 -0.009542 0.012570 -0.006845 -0.001793 5C 1f-1 -0.002376 -0.001643 0.006020 -0.002758 0.000780 -0.002380 5C 1f+2 -0.004952 0.007228 -0.003273 0.001571 0.004959 0.004379 5C 1f-2 0.002972 0.008038 -0.008098 0.003037 0.001427 0.017400 5C 1f+3 -0.012630 -0.001599 -0.005538 0.006440 -0.006846 -0.008230 5C 1f-3 0.012111 0.012136 0.006446 -0.007872 0.001317 0.010358 6C 1s -0.001776 0.003275 0.002991 0.003753 -0.005583 -0.007154 6C 2s -0.004804 0.006970 0.007903 0.009132 -0.015138 -0.015807 6C 3s 0.087412 0.075730 -0.061338 0.012058 0.101173 -0.073034 6C 4s -0.566240 -0.951932 0.205599 -0.547673 -0.053427 1.121595 6C 5s 0.464058 1.106874 1.274125 0.471812 -0.915877 2.616269 6C 1pz -0.008947 -0.069468 0.050460 -0.016358 -0.034112 -0.038886 6C 1px -0.087931 0.068294 -0.075529 0.115655 -0.031037 0.023202 6C 1py -0.022302 0.004337 -0.047078 -0.019976 0.043486 0.050600 6C 2pz 0.085936 0.037053 0.134875 -0.132697 0.020416 -0.358863 6C 2px 0.014855 0.245022 -0.449827 0.645135 0.023215 0.249791 6C 2py -0.087836 -0.077181 -0.014287 -0.038327 0.067215 0.411185 6C 3pz 0.735100 0.849482 -0.503185 -0.379177 0.379807 1.291438 6C 3px 0.658512 1.717834 0.445428 0.738111 -0.044634 1.053879 6C 3py -1.350962 -0.769320 0.475966 0.713850 0.132936 -2.120340 6C 1dz2 -0.006991 0.006958 -0.001566 0.007656 0.002841 -0.005265 6C 1dxz -0.003723 -0.003526 -0.002730 -0.009261 0.007457 -0.010874 6C 1dyz 0.008509 0.003130 0.002431 0.004375 -0.006407 -0.003183 6C 1dx2y2 -0.003637 -0.009678 0.007248 -0.006463 0.001407 0.009500 6C 1dxy 0.000830 0.006395 0.004166 0.000195 -0.000773 0.005952 6C 2dz2 0.046456 -0.029920 -0.112746 0.099904 -0.013734 -0.021666 6C 2dxz -0.003628 0.028426 0.070896 -0.057520 -0.051875 -0.092876 6C 2dyz 0.006276 0.123994 0.004754 -0.089958 0.108795 -0.094062 6C 2dx2y2 -0.196051 -0.087263 0.032040 -0.153269 0.006732 0.033533 6C 2dxy 0.020618 -0.133618 -0.161055 0.020241 0.072720 0.136846 6C 1f0 0.002271 -0.005201 -0.004816 0.007574 -0.004079 0.012020 6C 1f+1 -0.003140 -0.005194 0.009800 -0.011993 -0.007476 0.002867 6C 1f-1 -0.002282 -0.001748 -0.006031 0.002685 0.001148 0.002314 6C 1f+2 -0.005048 0.007419 0.002919 -0.001805 0.004227 -0.005330 6C 1f-2 0.002525 0.008698 0.007754 -0.002851 -0.000900 -0.018179 6C 1f+3 -0.012499 -0.001836 0.005920 -0.005956 -0.005969 0.009754 6C 1f-3 0.012028 0.012432 -0.006831 0.007972 0.000467 -0.011381 7C 1s -0.006582 0.001331 0.001590 -0.004708 0.003906 0.007128 7C 2s -0.015384 0.004593 0.003948 -0.010855 0.011438 0.017225 7C 3s -0.066552 -0.144088 -0.005706 -0.019333 -0.057762 0.007906 7C 4s 1.438221 1.066168 0.031402 0.637847 -0.439938 -0.800314 7C 5s -2.042913 -1.052617 -2.673198 -0.455135 2.930580 -0.652602 7C 1pz 0.096742 -0.002373 0.013383 0.005956 0.054546 0.063421 7C 1px -0.048212 0.081303 -0.091529 -0.117906 0.015848 -0.004264 7C 1py 0.006414 -0.004381 -0.022968 -0.041630 0.016067 0.035219 7C 2pz -0.273724 -0.102597 0.203882 0.167737 0.021210 0.279485 7C 2px 0.106373 -0.123243 -0.413881 -0.931568 0.036141 0.006158 7C 2py -0.083461 -0.094745 -0.027925 -0.287189 0.068633 0.151105 7C 3pz -4.147055 -1.942115 -0.759060 0.393710 2.039523 -2.677601 7C 3px -0.491048 0.108010 -0.122250 -0.552248 1.404708 0.808912 7C 3py -2.480793 -0.674661 -0.770919 0.209505 1.701587 -1.186407 7C 1dz2 0.003443 0.003948 0.001786 -0.005091 -0.006062 0.001989 7C 1dxz -0.006194 0.000657 0.003812 0.006871 -0.010570 0.004655 7C 1dyz 0.007835 0.005225 0.004153 0.003933 -0.008869 -0.003924 7C 1dx2y2 0.008038 0.006274 -0.004715 0.007880 -0.003082 -0.003223 7C 1dxy 0.004506 0.001761 0.005286 0.005900 -0.003283 -0.011822 7C 2dz2 0.073303 -0.106085 -0.083731 -0.169082 0.105747 0.039715 7C 2dxz -0.195408 0.075006 0.080590 0.168391 0.141699 0.167686 7C 2dyz -0.031353 -0.017163 -0.042169 -0.008397 0.131950 0.121246 7C 2dx2y2 0.178002 0.184480 -0.044210 0.060436 -0.067549 -0.096341 7C 2dxy -0.049094 0.164402 0.046270 0.160492 0.070576 0.007810 7C 1f0 0.006533 -0.000081 0.000601 0.001853 0.001197 -0.005480 7C 1f+1 0.010968 0.015090 -0.006361 0.004309 0.000962 -0.010008 7C 1f-1 -0.003072 0.007691 0.003653 0.011468 -0.001067 -0.000661 7C 1f+2 -0.018354 -0.004698 0.007071 0.008773 0.002059 0.013270 7C 1f-2 0.001747 -0.000643 -0.003440 -0.011951 -0.002465 -0.006776 7C 1f+3 -0.006841 0.005418 0.006084 0.009173 0.008079 0.000299 7C 1f-3 0.004229 0.019029 0.003162 0.020436 0.000894 -0.004366 8C 1s 0.000805 -0.001372 0.002395 0.003877 -0.003278 -0.002667 8C 2s 0.002642 -0.001704 0.007619 0.011328 -0.008935 -0.006567 8C 3s -0.019966 -0.037762 -0.021516 -0.040166 -0.005122 0.016439 8C 4s 0.068021 0.293830 0.099881 0.181771 0.114871 0.015056 8C 5s -2.228520 -2.809306 -0.923400 -0.996151 0.805978 -3.384631 8C 1pz 0.039433 0.034501 0.002673 0.010761 -0.008176 0.001083 8C 1px 0.021692 0.019200 0.009953 0.004169 -0.012886 0.014510 8C 1py 0.009701 -0.002791 0.005756 0.011494 -0.008794 -0.012928 8C 2pz 0.164269 0.095387 0.041864 -0.050828 -0.035410 -0.003239 8C 2px 0.083505 -0.036579 -0.041399 -0.132530 0.031251 0.048189 8C 2py 0.025119 -0.014331 0.048639 -0.015341 0.030823 -0.080215 8C 3pz 0.183742 0.043483 0.401639 0.011035 -0.144944 0.358897 8C 3px -0.098268 -0.306613 -0.262270 -0.851661 0.300617 0.233165 8C 3py -0.587600 -0.861031 -0.185700 -0.519778 0.373540 -0.984593 8C 1dz2 0.000809 0.001468 0.000770 -0.002017 0.001363 0.000289 8C 1dxz 0.000870 0.000945 -0.000982 0.005954 -0.002953 0.000648 8C 1dyz 0.000021 -0.002521 0.000219 0.000128 -0.001231 0.002006 8C 1dx2y2 0.002670 -0.001010 0.000008 -0.001034 -0.000855 0.001938 8C 1dxy -0.001090 0.005303 -0.000210 0.003843 -0.001378 0.002752 8C 2dz2 0.152272 0.034500 0.013168 0.075345 -0.089386 0.022489 8C 2dxz -0.006613 -0.046770 0.002081 -0.195994 0.051029 -0.043819 8C 2dyz -0.085819 0.048307 -0.058064 -0.014525 0.055057 0.033339 8C 2dx2y2 0.055208 0.118196 0.016916 -0.017950 0.002801 -0.003042 8C 2dxy 0.072960 -0.181631 0.001351 -0.157972 0.061885 -0.014507 8C 1f0 -0.004403 -0.000970 -0.000009 0.004005 -0.000643 0.000409 8C 1f+1 -0.003431 0.001986 0.000276 -0.001030 0.001343 -0.000261 8C 1f-1 0.005798 -0.003595 -0.000049 -0.001749 -0.003140 -0.000465 8C 1f+2 0.001563 -0.001152 -0.008137 -0.003389 0.007013 0.002048 8C 1f-2 0.000458 0.003527 -0.000924 -0.003015 0.003811 -0.000668 8C 1f+3 0.000404 -0.002551 -0.002302 0.006889 -0.002892 0.001904 8C 1f-3 0.002136 -0.004849 -0.001163 0.004555 -0.000876 0.001527 9C 1s 0.004918 -0.003512 -0.004295 -0.003020 0.006170 0.003961 9C 2s 0.010907 -0.010395 -0.012329 -0.008681 0.017336 0.012239 9C 3s -0.005922 0.061848 0.037648 0.043132 -0.021565 -0.040101 9C 4s -0.041580 -0.266150 -0.266150 -0.228780 0.037921 0.131012 9C 5s 5.276223 3.436418 3.700043 1.007654 -5.575499 1.468672 9C 1pz -0.058258 -0.016844 0.024193 0.001523 0.015368 -0.004058 9C 1px 0.013445 -0.044510 -0.003401 0.001175 -0.002526 -0.009518 9C 1py -0.010654 0.011634 -0.003134 0.003327 0.001172 0.009116 9C 2pz -0.315924 0.033163 0.107877 0.096256 0.044906 0.039912 9C 2px 0.049522 -0.145230 -0.009242 -0.038077 -0.049672 -0.137310 9C 2py -0.084504 0.038200 0.072834 -0.029120 0.085053 -0.096555 9C 3pz -1.131541 -0.508943 -1.097091 0.032764 1.130729 -0.047584 9C 3px -0.788386 0.172796 -0.038422 0.116054 -0.076094 -0.903859 9C 3py -0.921412 -0.849913 -0.258006 -0.354411 1.205417 -0.707561 9C 1dz2 -0.000709 0.002698 0.000210 -0.000542 -0.001321 0.002589 9C 1dxz 0.003168 -0.005038 0.002161 -0.001015 -0.000455 -0.000286 9C 1dyz 0.003048 0.000358 0.002751 -0.000540 -0.001752 0.000065 9C 1dx2y2 -0.001233 -0.001873 0.002340 0.000210 0.002046 -0.003635 9C 1dxy 0.001822 -0.001755 -0.001398 0.001909 -0.004812 0.002535 9C 2dz2 0.040005 -0.097572 0.048118 0.036544 0.011822 -0.018288 9C 2dxz -0.032775 0.089663 -0.108050 -0.015079 0.011932 0.041726 9C 2dyz 0.114345 0.051707 -0.064324 0.002122 -0.002860 0.118624 9C 2dx2y2 -0.058927 0.034930 -0.026195 0.040043 0.004909 0.129136 9C 2dxy -0.015910 0.002489 0.036761 -0.117201 0.178336 -0.086404 9C 1f0 -0.000159 0.002185 0.000729 -0.003307 0.008639 -0.001537 9C 1f+1 -0.002603 -0.003639 -0.001256 -0.000924 -0.002481 0.000009 9C 1f-1 -0.005175 0.002773 0.000145 0.001915 0.005302 0.006949 9C 1f+2 0.000094 0.000615 0.005288 0.001575 -0.008999 -0.004389 9C 1f-2 0.004120 -0.003687 -0.003532 -0.002512 0.003814 0.001011 9C 1f+3 -0.002796 -0.000237 0.004691 -0.002714 -0.005323 -0.006988 9C 1f-3 -0.002731 0.000420 -0.001030 -0.001080 0.000352 -0.000895 10H 1s -0.019440 0.005058 -0.004603 0.001409 -0.011136 -0.003278 10H 2s -0.238008 0.184618 -0.303260 -0.159965 -0.368746 -0.010525 10H 3s 0.750500 0.071944 -0.049123 -0.163866 -0.301840 -0.381437 10H 1pz -0.001943 0.003278 -0.015072 -0.018221 -0.019616 -0.001867 10H 1px 0.003859 0.003261 0.000208 0.001043 0.009016 0.011180 10H 1py 0.004212 -0.003876 -0.014576 -0.003134 -0.002010 0.012874 11H 1s -0.018610 0.007631 -0.017662 -0.013606 -0.019638 0.008032 11H 2s -0.266666 0.140342 -0.266061 -0.206980 -0.491757 0.235243 11H 3s 0.081210 0.718603 -0.076088 -0.283554 -0.666413 0.132077 11H 1pz -0.000420 -0.000613 0.000945 0.000444 -0.017377 -0.000902 11H 1px -0.006199 0.006426 -0.000910 0.001879 -0.005382 0.006570 11H 1py 0.010106 -0.001782 -0.007747 0.011039 0.019468 0.004585 12H 1s -0.015779 0.004737 -0.026152 -0.010509 -0.005370 0.012972 12H 2s -0.112610 0.129588 -0.408722 0.015428 -0.134905 0.457683 12H 3s 0.073522 0.064629 -0.511502 0.081826 -0.037773 0.517295 12H 1pz 0.008500 0.010125 0.013510 0.001436 -0.019818 -0.011397 12H 1px -0.004088 -0.000644 -0.005765 0.008290 0.001243 0.018034 12H 1py 0.005098 0.001083 -0.008793 0.019231 0.007002 0.022414 13H 1s -0.007139 0.004085 0.009230 -0.007770 -0.003802 -0.004554 13H 2s 0.045029 0.022624 0.118071 -0.058597 0.029603 -0.031233 13H 3s -0.003032 -0.092806 -0.229228 -0.265301 -0.183083 0.148980 13H 1pz 0.015533 -0.005736 -0.003520 0.007322 0.002998 0.003754 13H 1px -0.002621 -0.011270 -0.001429 0.027273 0.010988 0.004681 13H 1py -0.005537 0.004212 0.002158 -0.004759 -0.003708 -0.004031 14H 1s 0.002665 -0.001658 -0.002795 0.022850 0.012515 -0.002444 14H 2s 0.064698 0.006009 0.100890 0.508914 0.321983 -0.052185 14H 3s -0.451587 -0.739794 0.169758 0.670963 0.403382 0.208385 14H 1pz 0.007100 0.007879 0.000180 0.006067 0.007966 0.001002 14H 1px 0.001675 -0.001160 0.008495 0.030722 0.022087 0.000211 14H 1py 0.001068 -0.008922 -0.010284 0.022409 0.012019 0.001800 15H 1s 0.002633 0.005611 0.005853 0.009024 0.003769 -0.008377 15H 2s -0.196094 0.016637 0.254954 0.098110 0.153236 -0.162658 15H 3s -0.050105 -0.046616 0.284532 -0.013728 -0.107934 0.078339 15H 1pz -0.000808 -0.010463 -0.005854 0.008076 0.004347 0.007437 15H 1px -0.007781 0.005248 0.001418 0.011367 0.015922 0.001597 15H 1py 0.017744 0.001214 -0.013662 0.012407 -0.005595 0.002376 16H 1s -0.004082 -0.005701 -0.007013 0.002087 -0.008889 0.015323 16H 2s -0.041858 0.170292 0.209657 -0.073828 0.014776 0.213146 16H 3s 0.267542 0.759792 0.701801 -0.223688 0.352439 0.301845 16H 1pz -0.012361 0.015717 0.030198 -0.006506 0.003307 0.011299 16H 1px 0.010369 0.009054 -0.005734 -0.008039 -0.004806 0.004563 16H 1py 0.006222 0.006197 -0.000322 0.000106 0.006751 0.007036 17H 1s 0.002546 -0.015410 -0.005432 0.011032 -0.009044 -0.003102 17H 2s 0.207653 -0.023768 -0.211578 0.044539 0.105881 -0.118800 17H 3s 0.573212 0.273969 -0.399759 -0.039166 0.461993 -0.222494 17H 1pz -0.016952 0.001418 0.018899 0.000398 0.001923 0.010907 17H 1px -0.008123 -0.000703 0.014290 0.001854 -0.011061 0.000714 17H 1py 0.009971 0.002354 -0.002703 0.003766 0.013273 -0.002078 18H 1s -0.004157 0.015974 -0.004090 0.009618 0.009544 -0.002478 18H 2s -0.195876 0.020320 -0.222710 0.055479 -0.116981 -0.110007 18H 3s -0.511960 -0.279742 -0.423457 0.014425 -0.478276 -0.184257 18H 1pz -0.016499 0.001374 -0.018821 -0.000641 0.000479 -0.010049 18H 1px -0.006823 -0.001677 -0.016358 -0.000435 -0.011560 -0.001255 18H 1py 0.008775 0.002572 0.003389 -0.005330 0.013028 0.001356 19H 1s 0.003099 0.005909 -0.006627 0.001102 0.011144 0.015218 19H 2s 0.051195 -0.169349 0.205301 -0.069358 0.004949 0.207504 19H 3s -0.242308 -0.768877 0.689584 -0.190234 -0.332238 0.315401 19H 1pz -0.013236 0.015698 -0.030184 0.006281 0.002346 -0.010979 19H 1px 0.011204 0.009209 0.005371 0.008990 -0.004731 -0.005013 19H 1py 0.004960 0.006130 0.000817 -0.001442 0.005995 -0.006690 20H 1s -0.003417 -0.005360 0.005713 0.009707 -0.004251 -0.007763 20H 2s 0.179198 -0.006267 0.255118 0.119081 -0.167168 -0.148988 20H 3s 0.049977 0.061186 0.266274 -0.016746 0.111397 0.046272 20H 1pz -0.001334 -0.009960 0.005365 -0.008627 0.002561 -0.008899 20H 1px -0.007627 0.005339 -0.001855 -0.012289 0.014394 -0.003527 20H 1py 0.017085 0.001619 0.013972 -0.011764 -0.006956 -0.002230 21H 1s -0.002958 0.001510 -0.002601 0.024188 -0.010756 -0.000562 21H 2s -0.079389 -0.002259 0.109231 0.540907 -0.278101 0.000552 21H 3s 0.467663 0.737426 0.190413 0.708996 -0.303743 0.278151 21H 1pz 0.007427 0.007652 -0.000845 -0.007080 0.007327 -0.003118 21H 1px 0.002504 -0.001460 -0.009076 -0.032245 0.018454 -0.003607 21H 1py 0.000588 -0.008466 0.010035 -0.023242 0.009625 -0.003413 22H 1s 0.006476 -0.004166 0.009525 -0.007844 0.002387 -0.004104 22H 2s -0.051688 -0.019542 0.118819 -0.043640 -0.044305 -0.016481 22H 3s 0.032284 0.077448 -0.220427 -0.268481 0.171717 0.139153 22H 1pz 0.015399 -0.005967 0.003315 -0.008269 0.002015 -0.004794 22H 1px -0.002699 -0.011286 0.001229 -0.027655 0.007455 -0.005874 22H 1py -0.005620 0.004495 -0.002306 0.005320 -0.003124 0.004042 23H 1s 0.015159 -0.004378 -0.026244 -0.011040 0.005569 0.012484 23H 2s 0.105165 -0.125321 -0.404152 -0.003946 0.191061 0.460212 23H 3s -0.059347 -0.068441 -0.520135 0.067780 0.101619 0.530936 23H 1pz 0.008694 0.009867 -0.013307 0.000505 -0.018591 0.014620 23H 1px -0.004250 -0.000368 0.005135 -0.007704 -0.002312 -0.017859 23H 1py 0.005227 0.001218 0.008339 -0.019557 0.002112 -0.025072 24H 1s 0.018055 -0.007367 -0.017584 -0.015597 0.019060 0.005392 24H 2s 0.259048 -0.129371 -0.255483 -0.254118 0.498803 0.175061 24H 3s -0.083731 -0.695883 -0.065809 -0.357299 0.658390 0.044378 24H 1pz -0.000407 -0.001075 -0.001322 0.000810 -0.017227 0.003148 24H 1px -0.006271 0.006176 -0.000594 -0.000966 -0.007376 -0.006287 24H 1py 0.009930 -0.001524 0.007807 -0.013016 0.017933 -0.008066 25H 1s 0.018961 -0.005083 -0.004673 0.000518 0.010269 -0.004888 25H 2s 0.229994 -0.173248 -0.311904 -0.189554 0.337931 -0.056229 25H 3s -0.764694 -0.066518 -0.085160 -0.175341 0.217755 -0.430586 25H 1pz -0.001785 0.002238 0.015208 0.019838 -0.017460 0.004050 25H 1px 0.003568 0.003602 -0.001174 -0.001171 0.006761 -0.012302 25H 1py 0.004149 -0.003968 0.015135 0.003504 -0.003051 -0.013062 26O 1s 0.001711 0.006648 -0.000634 -0.002835 -0.003265 0.008271 26O 2s 0.003548 0.014742 -0.000924 -0.007843 -0.007716 0.019808 26O 3s 0.005494 -0.006505 -0.006271 0.039596 0.007307 -0.027430 26O 4s -0.146899 -0.224288 0.078515 -0.049718 0.101205 -0.152614 26O 5s 0.985154 1.347849 -0.433561 -0.764732 -0.631737 0.284314 26O 1pz -0.064098 0.016046 0.009452 0.027507 -0.059365 -0.008635 26O 1px 0.013855 0.056557 0.047737 -0.008194 -0.028972 -0.001251 26O 1py 0.002181 0.010551 -0.025624 0.044440 0.076544 0.037170 26O 2pz -0.138540 -0.045906 0.036149 0.023603 -0.168686 0.054077 26O 2px 0.038721 -0.035727 0.116782 0.084059 -0.070430 -0.064334 26O 2py 0.012145 -0.074117 -0.068507 0.139041 0.155498 0.143142 26O 3pz 0.380632 0.470368 -0.082973 0.415596 0.736006 -0.955164 26O 3px -0.657501 -0.634734 0.115918 1.193608 0.641677 -0.076929 26O 3py -0.295471 -0.023950 0.248700 0.440859 -0.007449 -0.949406 26O 1dz2 0.003463 0.000281 -0.003228 -0.007745 -0.003459 0.003780 26O 1dxz 0.001711 0.000715 0.000775 0.000728 0.004441 -0.006212 26O 1dyz 0.002144 -0.000284 0.000863 -0.000622 0.000275 0.000419 26O 1dx2y2 -0.002876 -0.002052 0.002273 0.009889 0.003571 -0.001261 26O 1dxy -0.004725 -0.003080 0.003570 0.008204 0.002363 -0.004821 26O 2dz2 -0.002539 -0.032446 0.019775 0.010131 -0.027197 -0.010115 26O 2dxz -0.011697 0.024994 -0.002815 -0.008430 -0.002809 -0.013680 26O 2dyz 0.023937 -0.019320 -0.016577 0.007208 -0.015666 0.023034 26O 2dx2y2 0.015319 0.021672 0.007447 -0.041412 -0.011526 -0.015263 26O 2dxy 0.009353 0.027964 -0.005829 -0.033369 -0.012688 -0.006064 26O 1f0 -0.000959 0.001448 0.000150 -0.000882 -0.001479 0.001340 26O 1f+1 -0.000225 0.002653 -0.000153 -0.001378 0.001729 -0.000779 26O 1f-1 0.000518 0.000557 0.000141 -0.000396 0.000046 -0.000919 26O 1f+2 0.001792 -0.000863 0.000249 -0.000272 0.000445 -0.000345 26O 1f-2 0.000316 -0.000737 0.000361 0.000752 0.001527 -0.003062 26O 1f+3 0.000105 -0.000040 -0.000026 -0.001195 0.000213 -0.001288 26O 1f-3 -0.000212 0.003202 -0.000220 -0.002669 0.000661 0.000596 27O 1s -0.005969 0.003486 0.006046 0.002304 0.000808 -0.001304 27O 2s -0.014264 0.007275 0.013807 0.005683 0.001103 -0.003377 27O 3s 0.021863 0.009530 -0.001209 -0.018364 0.014239 0.006445 27O 4s 0.106663 -0.082184 -0.143018 -0.030220 -0.090708 0.044410 27O 5s -0.860978 -0.767922 -0.525313 0.830878 0.099526 -0.001854 27O 1pz -0.018297 0.008391 0.029387 0.042588 0.103777 0.040680 27O 1px -0.037196 -0.013535 -0.034850 -0.001193 0.007954 -0.047453 27O 1py -0.017224 -0.008793 -0.049407 0.054921 0.059027 -0.007541 27O 2pz -0.022503 -0.020412 0.071749 0.170512 0.253840 0.063953 27O 2px 0.021609 -0.019878 0.006472 -0.067103 0.048888 -0.069311 27O 2py -0.078322 0.044591 -0.149664 0.129751 0.141970 0.012145 27O 3pz -0.118271 0.075567 -0.356555 -0.578862 -0.811986 0.021963 27O 3px 0.437445 0.806178 0.675779 -0.951840 -0.110981 0.160180 27O 3py 0.226627 -0.687668 0.534809 0.233612 -0.331982 -0.232695 27O 1dz2 0.000803 -0.002773 -0.004401 0.005294 0.002401 -0.002145 27O 1dxz -0.001241 -0.003115 -0.003127 0.001115 -0.004108 -0.000502 27O 1dyz -0.000512 0.002441 -0.000851 -0.001608 -0.000646 0.000463 27O 1dx2y2 -0.000537 0.006598 0.005385 -0.008974 -0.002973 0.001368 27O 1dxy -0.000030 -0.004795 0.001336 0.004074 0.000658 -0.002936 27O 2dz2 0.022756 0.012663 0.017914 0.022964 0.023786 0.004120 27O 2dxz -0.010853 -0.000278 0.007613 0.008644 0.007304 0.006695 27O 2dyz -0.014409 0.030079 0.004135 -0.025017 -0.016286 0.000480 27O 2dx2y2 -0.024317 -0.006585 -0.030056 0.044983 -0.005110 0.009239 27O 2dxy 0.010140 0.012868 0.003160 -0.011976 0.004018 -0.015111 27O 1f0 0.000069 0.001202 0.001655 0.000197 0.001126 -0.000343 27O 1f+1 -0.002580 -0.000733 -0.000688 0.000835 -0.001154 0.000124 27O 1f-1 0.001582 0.000563 -0.000387 -0.001064 -0.000184 0.000139 27O 1f+2 0.000052 -0.001618 -0.000427 0.000456 -0.001495 -0.000272 27O 1f-2 0.001226 -0.000479 0.000184 0.000665 0.000663 -0.001087 27O 1f+3 -0.000799 -0.000242 -0.002628 0.000813 -0.002165 0.001244 27O 1f-3 0.001978 0.000674 -0.000881 -0.001530 0.000660 0.000447 28O 1s 0.004274 0.001033 -0.005198 -0.001487 -0.002682 0.005451 28O 2s 0.010046 0.003095 -0.012437 -0.002715 -0.006065 0.013729 28O 3s -0.013542 -0.016029 0.012561 -0.019512 0.002079 -0.037559 28O 4s -0.164394 0.002344 0.043593 0.122359 0.060467 0.042921 28O 5s 1.905570 0.455943 0.833089 0.532033 0.009230 -0.525723 28O 1pz 0.009930 -0.032375 -0.018556 -0.024105 0.003599 0.022731 28O 1px -0.110860 0.011117 -0.043208 0.023459 0.015777 -0.024236 28O 1py -0.020887 0.021158 0.012313 -0.025254 -0.006436 -0.046355 28O 2pz -0.128504 -0.015223 -0.117212 -0.083797 0.048353 0.024603 28O 2px -0.139622 0.025234 -0.036540 0.100765 0.065994 0.042583 28O 2py -0.087139 0.127784 0.033901 -0.087021 -0.021185 -0.125759 28O 3pz -0.070681 -0.553997 0.075015 -0.479264 -0.139924 -0.562709 28O 3px 1.498274 0.229968 0.556147 0.542461 -0.346329 -0.002788 28O 3py 0.349874 -0.675603 -0.057207 0.139996 -0.063228 0.102214 28O 1dz2 0.003795 -0.000893 0.000733 0.001151 0.000563 -0.000529 28O 1dxz 0.004967 0.002739 0.005245 0.005542 -0.002482 0.007413 28O 1dyz 0.000326 -0.001066 -0.001568 0.000281 0.000960 0.000145 28O 1dx2y2 -0.007072 -0.000773 -0.004021 -0.004921 0.000322 -0.003427 28O 1dxy -0.000278 0.003659 0.000625 0.000055 -0.000040 0.001872 28O 2dz2 0.005180 -0.001967 -0.008682 0.019703 0.020471 0.009041 28O 2dxz -0.058876 -0.010694 -0.022046 -0.028035 0.013667 0.005418 28O 2dyz 0.010060 0.026489 0.020151 0.001648 -0.016791 -0.012451 28O 2dx2y2 0.031155 -0.011237 -0.004341 0.029859 0.017719 0.023688 28O 2dxy -0.002504 0.011349 0.011660 -0.004858 -0.006391 0.002095 28O 1f0 0.001853 0.000965 0.000998 0.001363 0.001138 -0.001080 28O 1f+1 0.000830 0.000559 -0.000967 0.000569 -0.000734 0.000246 28O 1f-1 0.000261 -0.000473 0.000142 0.000663 -0.001221 -0.000163 28O 1f+2 -0.002474 -0.000715 -0.000928 -0.002057 -0.001480 0.000956 28O 1f-2 0.001268 0.001070 -0.000478 0.000299 -0.000636 0.001088 28O 1f+3 -0.001363 -0.000393 -0.000510 -0.001663 -0.002143 0.000222 28O 1f-3 0.000298 -0.000202 -0.000512 0.000105 0.000828 -0.000253 29O 1s -0.001691 -0.010789 -0.000670 0.003239 -0.004321 0.002874 29O 2s -0.003720 -0.023418 -0.001663 0.006889 -0.009424 0.005818 29O 3s -0.001021 -0.012382 0.002926 0.005362 -0.004245 0.010351 29O 4s 0.084315 0.467307 0.018581 -0.142055 0.203674 -0.136082 29O 5s -0.326180 -1.106073 -0.108084 0.318695 -0.595941 0.184724 29O 1pz 0.034065 -0.060933 -0.139735 0.011814 -0.012393 -0.047966 29O 1px 0.069562 0.003339 -0.025892 -0.015592 0.047881 -0.027151 29O 1py -0.030503 -0.035541 -0.000250 -0.029714 -0.041867 -0.026856 29O 2pz 0.042205 -0.148105 -0.293489 0.043127 -0.025658 -0.123400 29O 2px 0.169722 0.048317 -0.046046 -0.030674 0.126215 -0.050722 29O 2py -0.079978 -0.055504 -0.010845 -0.031383 -0.079371 -0.043653 29O 3pz -0.180459 0.616927 1.164198 -0.268470 -0.004979 0.675160 29O 3px -0.703664 -0.161913 0.231360 0.058651 -0.473250 0.171013 29O 3py 0.393078 0.301275 0.032569 -0.062134 0.281393 0.084208 29O 1dz2 -0.001110 0.002532 0.004420 -0.000660 0.000733 0.002955 29O 1dxz 0.003230 -0.001086 -0.003431 0.000226 0.000787 -0.001296 29O 1dyz -0.002957 0.003680 0.007433 -0.001411 -0.000394 0.005324 29O 1dx2y2 -0.001003 -0.000676 -0.001467 0.000095 -0.000574 -0.001207 29O 1dxy -0.003455 0.000160 0.002750 -0.001877 -0.002857 0.001042 29O 2dz2 0.011443 0.005816 -0.018552 0.004685 0.008310 -0.008047 29O 2dxz -0.007476 0.011441 0.018758 -0.003860 0.002695 0.007802 29O 2dyz 0.003366 -0.002600 -0.012265 0.010307 -0.000536 -0.011574 29O 2dx2y2 0.005161 -0.011531 0.002976 0.002034 -0.008842 0.004525 29O 2dxy 0.007051 -0.014136 0.003061 -0.004748 0.014569 -0.007242 29O 1f0 0.000221 0.000982 -0.000064 -0.000304 0.000643 -0.000253 29O 1f+1 -0.000449 -0.000761 0.000407 0.000072 -0.000356 0.000018 29O 1f-1 -0.000090 0.000465 0.001027 -0.000744 0.000722 -0.000138 29O 1f+2 0.000802 -0.000739 -0.000905 0.000116 -0.000417 0.000004 29O 1f-2 0.000421 -0.000034 -0.000271 -0.000346 0.000787 0.000165 29O 1f+3 0.000128 -0.000595 0.000126 0.000579 -0.000324 0.000257 29O 1f-3 -0.000497 -0.001253 0.000224 0.000416 0.000099 -0.000276 30O 1s 0.000024 -0.006232 0.000929 0.004909 0.002187 -0.003543 30O 2s -0.000061 -0.013429 0.002385 0.011519 0.005220 -0.010054 30O 3s 0.005374 -0.004923 -0.013042 -0.008355 -0.005240 0.047562 30O 4s -0.008137 0.241024 0.066050 -0.078453 -0.023720 -0.074019 30O 5s -0.385127 -0.679564 -0.263409 -0.606442 -0.387997 -0.311850 30O 1pz -0.006407 0.038795 -0.020284 -0.033857 0.013496 -0.001720 30O 1px -0.012807 0.050466 0.039666 -0.020025 0.014532 0.062755 30O 1py -0.021346 0.045638 0.017187 -0.064834 0.010011 -0.044711 30O 2pz -0.011285 0.202407 -0.049558 -0.118374 0.031342 0.021257 30O 2px -0.044918 0.089679 0.085077 -0.051956 0.016650 0.026201 30O 2py -0.029570 0.008715 0.058087 -0.188101 -0.010830 -0.112534 30O 3pz 0.304928 -0.707179 -0.122469 0.567427 -0.158204 0.702138 30O 3px -0.103101 -0.691679 0.022615 -0.344322 -0.248781 -0.609761 30O 3py -0.292517 0.245198 0.128128 0.303029 -0.104126 -0.683145 30O 1dz2 0.000568 -0.003158 0.001810 -0.001778 -0.000639 -0.000799 30O 1dxz -0.001321 0.002450 0.003309 -0.002371 0.001985 -0.007722 30O 1dyz -0.001154 -0.001076 0.001243 -0.000672 0.001300 -0.004307 30O 1dx2y2 0.000241 0.000983 -0.000936 0.002342 0.002840 0.004322 30O 1dxy 0.003469 -0.000029 -0.004383 0.001728 0.000433 0.007343 30O 2dz2 0.000658 0.004791 0.002660 -0.021483 -0.020378 0.007404 30O 2dxz 0.011352 0.033577 -0.011250 -0.011251 -0.006804 0.016685 30O 2dyz 0.009129 -0.017809 0.003461 0.033289 0.005437 0.012526 30O 2dx2y2 0.006133 0.006409 -0.001944 -0.024131 -0.020243 -0.025925 30O 2dxy 0.010629 -0.025679 0.006467 -0.015200 -0.024788 -0.020400 30O 1f0 -0.001310 -0.000563 -0.000198 0.000037 -0.001604 -0.001521 30O 1f+1 -0.000229 -0.000366 -0.000423 0.000333 0.000400 0.000102 30O 1f-1 0.001168 0.001094 0.000121 0.000618 0.000059 -0.000733 30O 1f+2 0.000126 0.000617 0.000544 0.000726 -0.000005 -0.000117 30O 1f-2 0.000682 0.000998 0.000572 0.000793 0.000299 0.002107 30O 1f+3 0.000300 -0.001337 0.000493 0.001068 0.001148 0.000049 30O 1f-3 -0.000887 0.001142 0.000193 0.001668 0.002202 0.000388 31O 1s -0.000124 0.006523 0.000851 0.005178 -0.002209 -0.003536 31O 2s -0.000167 0.014113 0.002213 0.012164 -0.005475 -0.009986 31O 3s -0.004969 0.003773 -0.012928 -0.009270 0.010207 0.047067 31O 4s 0.008754 -0.244004 0.069358 -0.081335 0.009303 -0.067041 31O 5s 0.379909 0.691510 -0.281409 -0.626171 0.288996 -0.416225 31O 1pz -0.005506 0.038672 0.022526 0.031845 0.018566 0.004970 31O 1px -0.011967 0.050146 -0.038953 0.019584 0.009032 -0.063839 31O 1py -0.020714 0.045601 -0.018214 0.063685 0.021701 0.042659 31O 2pz -0.010840 0.203597 0.052429 0.115148 0.044363 -0.019383 31O 2px -0.041991 0.085579 -0.079611 0.051003 0.019071 -0.020835 31O 2py -0.025733 0.005995 -0.058647 0.186978 0.021596 0.116318 31O 3pz 0.297197 -0.691966 0.115397 -0.545441 -0.305920 -0.702489 31O 3px -0.096945 -0.694378 -0.038985 0.348995 -0.147673 0.633328 31O 3py -0.295424 0.233104 -0.123073 -0.300268 -0.053984 0.696664 31O 1dz2 -0.000514 0.003141 0.001794 -0.001780 0.000481 -0.000812 31O 1dxz 0.001220 -0.002282 0.003335 -0.002109 -0.003085 -0.007480 31O 1dyz 0.001058 0.001165 0.001139 -0.000452 -0.001863 -0.004299 31O 1dx2y2 -0.000224 -0.000992 -0.001126 0.002576 -0.002106 0.004482 31O 1dxy -0.003380 -0.000171 -0.004366 0.001631 0.000527 0.007402 31O 2dz2 -0.000589 -0.004673 0.002255 -0.023132 0.018515 0.004560 31O 2dxz -0.011043 -0.034116 -0.011023 -0.012008 0.007309 0.016772 31O 2dyz -0.008616 0.016908 0.003401 0.033146 -0.000416 0.013841 31O 2dx2y2 -0.006272 -0.006066 -0.001346 -0.025665 0.014346 -0.027560 31O 2dxy -0.011267 0.026546 0.005468 -0.016814 0.020355 -0.024985 31O 1f0 -0.001297 -0.000583 0.000277 0.000127 -0.001388 0.001830 31O 1f+1 -0.000247 -0.000376 0.000433 -0.000355 0.000379 -0.000095 31O 1f-1 0.001167 0.001077 -0.000118 -0.000625 0.000100 0.000727 31O 1f+2 0.000103 0.000620 -0.000530 -0.000737 -0.000061 0.000103 31O 1f-2 0.000645 0.001061 -0.000634 -0.000781 -0.000058 -0.002270 31O 1f+3 0.000304 -0.001359 -0.000448 -0.001220 0.001017 -0.000126 31O 1f-3 -0.000893 0.001167 -0.000338 -0.001850 0.001974 -0.000809 32O 1s 0.001199 0.010843 -0.000536 0.002704 0.005034 0.002609 32O 2s 0.002642 0.023528 -0.001363 0.005723 0.010892 0.005253 32O 3s 0.000702 0.012612 0.002813 0.004889 0.006331 0.009764 32O 4s -0.061543 -0.471258 0.011349 -0.117459 -0.236738 -0.123054 32O 5s 0.257523 1.119227 -0.076038 0.249386 0.650121 0.151437 32O 1pz 0.034561 -0.060931 0.140360 -0.011312 -0.006118 0.047042 32O 1px 0.062271 0.006707 0.027909 0.010533 0.051554 0.023606 32O 1py -0.023318 -0.038112 0.000444 0.033929 -0.034735 0.029623 32O 2pz 0.043432 -0.149093 0.294543 -0.042322 -0.011191 0.121547 32O 2px 0.152610 0.055620 0.049669 0.018234 0.131374 0.039264 32O 2py -0.065447 -0.060750 0.010012 0.039639 -0.068677 0.047630 32O 3pz -0.188797 0.613043 -1.172822 0.270684 -0.074807 -0.657734 32O 3px -0.643289 -0.185769 -0.248520 -0.012712 -0.485420 -0.126800 32O 3py 0.334617 0.322214 -0.027899 0.033946 0.267360 -0.101466 32O 1dz2 0.001066 -0.002390 0.004053 -0.000491 -0.000459 0.002722 32O 1dxz -0.003160 0.001110 -0.003678 0.000344 -0.000985 -0.001311 32O 1dyz 0.002963 -0.003760 0.007607 -0.001484 0.000929 0.005248 32O 1dx2y2 0.000784 0.000740 -0.001566 0.000067 0.000357 -0.001289 32O 1dxy 0.003054 -0.000012 0.002767 -0.002144 0.002735 0.000728 32O 2dz2 -0.011346 -0.006000 -0.018794 0.005459 -0.008658 -0.006897 32O 2dxz 0.007614 -0.011342 0.019728 -0.003684 -0.001600 0.008329 32O 2dyz -0.004094 0.002525 -0.012141 0.010188 0.000141 -0.010497 32O 2dx2y2 -0.005425 0.012484 0.003152 0.001592 0.009266 0.003314 32O 2dxy -0.005090 0.013715 0.000956 -0.002435 -0.015892 -0.008312 32O 1f0 0.000149 0.000926 0.000218 0.000154 0.000667 0.000282 32O 1f+1 -0.000451 -0.000788 -0.000483 -0.000027 -0.000411 -0.000026 32O 1f-1 -0.000181 0.000493 -0.000892 0.000659 0.000838 0.000178 32O 1f+2 0.000815 -0.000751 0.000911 -0.000085 -0.000479 -0.000008 32O 1f-2 0.000351 -0.000018 0.000443 0.000236 0.000776 -0.000123 32O 1f+3 0.000180 -0.000612 -0.000153 -0.000538 -0.000387 -0.000259 32O 1f-3 -0.000482 -0.001282 -0.000276 -0.000451 0.000115 0.000287 33O 1s -0.004284 -0.000794 -0.005067 -0.001830 0.003277 0.005327 33O 2s -0.010077 -0.002571 -0.012132 -0.003499 0.007657 0.013434 33O 3s 0.013668 0.016157 0.012209 -0.018904 -0.008994 -0.037261 33O 4s 0.165761 -0.008514 0.040911 0.129134 -0.042519 0.041790 33O 5s -1.931577 -0.466058 0.842997 0.531989 -0.030613 -0.482033 33O 1pz 0.010127 -0.032465 0.019962 0.024445 0.003281 -0.023626 33O 1px -0.111800 0.009175 0.043020 -0.024283 0.016478 0.023432 33O 1py -0.020753 0.018825 -0.017120 0.025155 0.001348 0.043678 33O 2pz -0.128265 -0.016134 0.121359 0.079474 0.054695 -0.029012 33O 2px -0.140646 0.022952 0.035231 -0.103786 0.049880 -0.049882 33O 2py -0.087127 0.121706 -0.046865 0.087519 0.001733 0.119544 33O 3pz -0.076381 -0.560709 -0.077068 0.481877 -0.022849 0.582889 33O 3px 1.513071 0.249324 -0.557629 -0.512450 -0.392694 0.024157 33O 3py 0.353855 -0.661205 0.114981 -0.130572 -0.083594 -0.053521 33O 1dz2 -0.003862 0.000884 0.000619 0.001311 -0.000537 -0.000600 33O 1dxz -0.004883 -0.002889 0.005251 0.005208 0.004002 0.007221 33O 1dyz -0.000249 0.001053 -0.001712 0.000389 -0.000867 0.000082 33O 1dx2y2 0.007028 0.000957 -0.004064 -0.004868 -0.001248 -0.003509 33O 1dxy 0.000297 -0.003590 0.000980 0.000067 0.000288 0.002231 33O 2dz2 -0.004835 0.001727 -0.008695 0.021307 -0.017436 0.012438 33O 2dxz 0.059775 0.010734 -0.021748 -0.026380 -0.015789 0.007061 33O 2dyz -0.010410 -0.026146 0.021086 0.000199 0.015139 -0.013085 33O 2dx2y2 -0.031204 0.010113 -0.004638 0.031275 -0.011920 0.026235 33O 2dxy 0.002544 -0.011384 0.011395 -0.005450 0.006305 0.001166 33O 1f0 0.001893 0.000997 -0.000960 -0.001447 0.001150 0.001001 33O 1f+1 0.000856 0.000539 0.000958 -0.000466 -0.000805 -0.000147 33O 1f-1 0.000293 -0.000478 -0.000087 -0.000535 -0.001239 0.000326 33O 1f+2 -0.002580 -0.000736 0.000908 0.002154 -0.001404 -0.000791 33O 1f-2 0.001312 0.001051 0.000422 -0.000253 -0.000778 -0.001113 33O 1f+3 -0.001402 -0.000431 0.000514 0.001845 -0.002021 0.000010 33O 1f-3 0.000321 -0.000227 0.000469 -0.000196 0.000860 0.000090 34O 1s 0.005559 -0.003165 0.005997 0.002536 -0.000901 -0.001347 34O 2s 0.013275 -0.006510 0.013735 0.006134 -0.001346 -0.003508 34O 3s -0.020452 -0.010511 -0.001701 -0.017002 -0.014325 0.007615 34O 4s -0.101077 0.076896 -0.138075 -0.045356 0.095330 0.042941 34O 5s 0.854914 0.772797 -0.534480 0.864387 -0.048366 -0.040852 34O 1pz -0.016676 0.007376 -0.030056 -0.050990 0.093329 -0.053038 34O 1px -0.037527 -0.013715 0.033783 0.000707 0.013672 0.045190 34O 1py -0.018051 -0.006474 0.046388 -0.058500 0.054168 -0.002562 34O 2pz -0.017588 -0.024116 -0.072586 -0.191081 0.226710 -0.094397 34O 2px 0.021349 -0.019591 -0.011646 0.064124 0.059807 0.056039 34O 2py -0.081767 0.051360 0.142412 -0.137062 0.126936 -0.036592 34O 3pz -0.146532 0.100901 0.354588 0.648947 -0.752526 0.071501 34O 3px 0.429182 0.807886 -0.659814 0.969227 -0.060367 -0.146185 34O 3py 0.253761 -0.724185 -0.512850 -0.228446 -0.314568 0.302455 34O 1dz2 -0.000728 0.002751 -0.004428 0.005553 -0.002247 -0.001922 34O 1dxz 0.001392 0.002938 -0.003059 0.000709 0.004095 -0.000933 34O 1dyz 0.000589 -0.002532 -0.000894 -0.001692 0.000570 0.000400 34O 1dx2y2 0.000382 -0.006539 0.005328 -0.009319 0.002405 0.000964 34O 1dxy -0.000010 0.004951 0.001101 0.004317 -0.000679 -0.003178 34O 2dz2 -0.022349 -0.012932 0.018304 0.024327 -0.019714 0.008626 34O 2dxz 0.010492 0.000591 0.007557 0.009205 -0.005561 0.007459 34O 2dyz 0.014383 -0.030445 0.003349 -0.026656 0.013539 -0.002294 34O 2dx2y2 0.024185 0.006251 -0.029577 0.043993 0.009581 0.009166 34O 2dxy -0.009810 -0.013373 0.003568 -0.011841 -0.006350 -0.013736 34O 1f0 0.000111 0.001155 -0.001627 -0.000318 0.001136 0.000240 34O 1f+1 -0.002499 -0.000776 0.000748 -0.000744 -0.001149 0.000124 34O 1f-1 0.001551 0.000586 0.000411 0.001089 -0.000105 -0.000111 34O 1f+2 0.000032 -0.001595 0.000475 -0.000315 -0.001470 0.000520 34O 1f-2 0.001267 -0.000517 -0.000208 -0.000751 0.000729 0.000983 34O 1f+3 -0.000787 -0.000220 0.002709 -0.000581 -0.002296 -0.000896 34O 1f-3 0.001850 0.000748 0.000856 0.001502 0.000689 -0.000572 35O 1s -0.001639 -0.006483 -0.000509 -0.003209 0.004036 0.008153 35O 2s -0.003363 -0.014381 -0.000617 -0.008717 0.009459 0.019479 35O 3s -0.005851 0.006464 -0.006954 0.040293 -0.006867 -0.026496 35O 4s 0.148452 0.219922 0.078417 -0.036910 -0.124801 -0.151780 35O 5s -1.016737 -1.340029 -0.419407 -0.845566 0.584333 0.274269 35O 1pz -0.064123 0.014145 -0.008523 -0.021077 -0.061538 0.018119 35O 1px 0.015024 0.058172 -0.047343 0.011638 -0.027801 0.005619 35O 1py 0.001247 0.010518 0.021712 -0.050940 0.066830 -0.052074 35O 2pz -0.140154 -0.049815 -0.031827 -0.005698 -0.179828 -0.026046 35O 2px 0.038663 -0.031915 -0.111687 -0.077881 -0.070939 0.080129 35O 2py 0.008694 -0.074055 0.058327 -0.151795 0.122601 -0.175362 35O 3pz 0.399266 0.481747 0.068610 -0.494393 0.825938 0.846027 35O 3px -0.676766 -0.636921 -0.131567 -1.256486 0.522766 0.004029 35O 3py -0.289953 -0.016052 -0.205569 -0.453126 0.072739 1.012282 35O 1dz2 -0.003417 -0.000282 -0.003307 -0.008124 0.003148 0.003425 35O 1dxz -0.001725 -0.000826 0.000749 0.001180 -0.005189 -0.005742 35O 1dyz -0.002084 0.000306 0.000881 -0.000582 -0.000249 0.000460 35O 1dx2y2 0.003011 0.002036 0.002509 0.010162 -0.002647 -0.000671 35O 1dxy 0.004772 0.003027 0.003377 0.008521 -0.002174 -0.005006 35O 2dz2 0.003027 0.032972 0.019002 0.008289 0.027700 -0.014840 35O 2dxz 0.011681 -0.024336 -0.002609 -0.008818 0.000546 -0.014022 35O 2dyz -0.024080 0.019215 -0.015943 0.005476 0.018833 0.022943 35O 2dx2y2 -0.015724 -0.021619 0.006829 -0.042255 0.005533 -0.017198 35O 2dxy -0.010241 -0.027443 -0.005264 -0.034807 0.008466 -0.006790 35O 1f0 -0.000968 0.001400 -0.000156 0.001024 -0.001573 -0.001166 35O 1f+1 -0.000160 0.002642 0.000170 0.001250 0.001977 0.000594 35O 1f-1 0.000598 0.000553 -0.000184 0.000379 0.000236 0.000868 35O 1f+2 0.001789 -0.000843 -0.000197 0.000233 0.000505 0.000302 35O 1f-2 0.000351 -0.000726 -0.000360 -0.000922 0.001856 0.002908 35O 1f+3 0.000156 -0.000048 0.000131 0.001136 0.000533 0.001409 35O 1f-3 -0.000146 0.003190 0.000137 0.002665 0.000859 -0.000750 228 229 230 231 232 233 0.65964 0.66005 0.66732 0.66836 0.68405 0.69837 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s -0.000348 -0.001150 -0.001245 -0.000803 -0.003161 -0.000398 0Rh 2s -0.002124 -0.000563 0.003098 0.000039 0.006666 0.000921 0Rh 3s -0.003345 -0.007056 -0.005347 -0.004664 -0.014322 -0.001756 0Rh 4s 0.011043 0.004669 -0.013221 0.001114 -0.027631 -0.003894 0Rh 5s -0.038917 -0.047060 -0.004204 -0.027248 -0.026479 -0.002282 0Rh 6s 0.098656 0.168052 0.092001 0.105753 0.263877 0.031931 0Rh 7s -0.797408 -1.488610 -0.669887 -0.929094 -1.209755 -0.295284 0Rh 8s 0.512519 1.990590 0.547197 1.216841 -1.553109 0.442686 0Rh 1pz 0.002553 0.006109 0.004894 -0.014342 0.000165 -0.015423 0Rh 1px -0.003224 0.001422 0.002128 -0.006622 0.001915 -0.004735 0Rh 1py 0.005160 -0.012978 -0.001966 -0.000172 0.011744 -0.001271 0Rh 2pz -0.009398 -0.021013 -0.016805 0.049399 -0.000427 0.053516 0Rh 2px 0.010942 -0.005063 -0.007548 0.022665 -0.006230 0.016355 0Rh 2py -0.017774 0.044806 0.007145 0.000785 -0.040551 0.004412 0Rh 3pz 0.019444 0.017064 0.012871 -0.040267 -0.002111 -0.051057 0Rh 3px -0.006022 0.007240 0.010328 -0.015899 -0.002433 -0.014196 0Rh 3py 0.014734 -0.039012 -0.013175 -0.004508 0.035085 -0.004225 0Rh 4pz -0.028991 0.034058 0.031804 -0.087905 0.007860 -0.064167 0Rh 4px -0.028845 -0.002304 -0.002310 -0.048320 0.043068 -0.024663 0Rh 4py 0.028936 -0.067056 0.016502 0.014664 0.062202 -0.005509 0Rh 5pz 0.081054 0.027112 0.004555 0.012484 0.006179 -0.075046 0Rh 5px 0.004277 0.013956 0.027063 0.004636 -0.086230 -0.015914 0Rh 5py 0.014630 -0.034816 -0.057876 -0.037684 0.027480 -0.003183 0Rh 6pz 0.091670 -0.905126 -1.067465 1.464032 -0.713870 1.499528 0Rh 6px 0.549932 -0.319910 -0.096063 0.806665 1.011171 0.536164 0Rh 6py -0.865913 1.704525 -0.277447 -0.001958 -0.605535 0.029225 0Rh 1dz2 0.020253 -0.001212 -0.005631 -0.003161 -0.001324 0.001760 0Rh 1dxz -0.028345 0.018231 0.012942 -0.004317 0.034577 0.012796 0Rh 1dyz -0.011251 0.002877 -0.007446 0.005916 0.002442 -0.001653 0Rh 1dx2y2 -0.011722 0.014308 -0.007433 -0.006979 0.011836 0.005473 0Rh 1dxy 0.009104 -0.009004 0.030278 0.005770 -0.006470 0.009720 0Rh 2dz2 -0.003817 0.000906 0.001329 0.002355 -0.000143 -0.000355 0Rh 2dxz 0.004695 -0.002534 -0.001673 0.001146 -0.006041 -0.001769 0Rh 2dyz 0.001819 -0.000065 0.000939 -0.001799 -0.000119 0.000277 0Rh 2dx2y2 0.002231 -0.003541 0.000366 0.001057 -0.002272 -0.001557 0Rh 2dxy -0.001968 0.001265 -0.005802 -0.001116 0.000856 -0.001857 0Rh 3dz2 -0.023590 -0.001493 0.005472 -0.003541 0.003144 -0.001987 0Rh 3dxz 0.035857 -0.025173 -0.018440 0.003804 -0.042703 -0.017910 0Rh 3dyz 0.014431 -0.005413 0.010716 -0.003927 -0.004263 0.002232 0Rh 3dx2y2 0.013492 -0.013169 0.013096 0.009410 -0.013898 -0.004238 0Rh 3dxy -0.009593 0.012395 -0.035082 -0.006585 0.009109 -0.011342 0Rh 4dz2 -0.073512 0.015205 0.024338 0.034293 0.001001 -0.007241 0Rh 4dxz 0.093396 -0.051473 -0.034688 0.018833 -0.117143 -0.035484 0Rh 4dyz 0.035967 -0.002469 0.019428 -0.032623 -0.004114 0.003349 0Rh 4dx2y2 0.043581 -0.064415 0.010335 0.018377 -0.043596 -0.027671 0Rh 4dxy -0.036663 0.025460 -0.111153 -0.022335 0.017264 -0.036543 0Rh 5dz2 0.139819 -0.104379 -0.062328 -0.122025 -0.021359 0.036974 0Rh 5dxz -0.172534 0.013827 0.016320 -0.056232 0.185800 0.007370 0Rh 5dyz -0.041947 -0.046833 0.019659 0.130570 -0.012002 0.044434 0Rh 5dx2y2 -0.073767 0.216989 0.068677 0.042940 0.114530 0.089293 0Rh 5dxy 0.111212 -0.018720 0.250298 0.074896 0.006637 0.098985 0Rh 1f0 -0.012505 0.007537 -0.001878 0.006740 0.002214 -0.005685 0Rh 1f+1 -0.018254 0.005098 0.002848 -0.001185 0.014277 -0.003377 0Rh 1f-1 0.005088 -0.002317 -0.003354 0.000625 -0.002586 -0.003458 0Rh 1f+2 -0.007257 -0.005297 -0.001936 0.005148 -0.001663 0.003567 0Rh 1f-2 0.003586 -0.007401 -0.003278 -0.014639 0.001747 0.006357 0Rh 1f+3 -0.008101 0.002225 0.002423 -0.005196 -0.001065 -0.003192 0Rh 1f-3 0.010853 -0.004370 0.007837 0.008273 0.013630 -0.001696 1Rh 1s -0.000781 -0.000667 0.001330 -0.000625 0.003174 0.000388 1Rh 2s -0.000051 -0.002338 -0.003046 -0.000338 -0.006710 -0.000927 1Rh 3s -0.004588 -0.005341 0.005875 -0.003859 0.014370 0.001691 1Rh 4s 0.001544 0.012620 0.012829 0.002680 0.027828 0.003940 1Rh 5s -0.027836 -0.052666 0.007792 -0.025813 0.026356 0.001844 1Rh 6s 0.106471 0.146534 -0.104567 0.091001 -0.264445 -0.030378 1Rh 7s -1.019200 -1.272611 0.786333 -0.821287 1.211650 0.277833 1Rh 8s 1.702642 1.335652 -0.709133 1.115684 1.551296 -0.416816 1Rh 1pz -0.005104 -0.004541 0.001919 0.015147 0.000587 -0.015200 1Rh 1px -0.002691 0.002493 0.000892 0.006963 0.001994 -0.004707 1Rh 1py 0.013773 0.000783 -0.001569 0.000145 0.011764 -0.001129 1Rh 2pz 0.017302 0.016192 -0.006539 -0.052192 -0.001888 0.052749 1Rh 2px 0.009362 -0.008359 -0.003306 -0.023881 -0.006499 0.016261 1Rh 2py -0.047548 -0.002757 0.005803 -0.000627 -0.040626 0.003918 1Rh 3pz -0.009135 -0.024123 0.004096 0.042937 -0.000783 -0.050438 1Rh 3px -0.009480 0.002625 0.007101 0.017690 -0.002214 -0.014199 1Rh 3py 0.041377 0.003387 -0.012549 0.003097 0.035240 -0.003706 1Rh 4pz -0.046757 0.015010 0.015253 0.091178 0.009902 -0.062746 1Rh 4px -0.009476 0.029284 -0.010398 0.047499 0.043534 -0.024206 1Rh 4py 0.070932 0.000896 0.020836 -0.009913 0.061943 -0.005022 1Rh 5pz 0.009434 -0.086874 0.002750 -0.008386 0.007099 -0.075388 1Rh 5px -0.011818 -0.013494 0.026271 0.000061 -0.086174 -0.016212 1Rh 5py 0.040234 0.002368 -0.062792 0.028074 0.028216 -0.003514 1Rh 6pz 0.906274 0.273660 -0.739113 -1.619269 -0.754741 1.480823 1Rh 6px 0.547075 -0.331979 0.061701 -0.804518 0.999058 0.520126 1Rh 6py -1.903108 0.124106 -0.315590 -0.108920 -0.595788 0.086055 1Rh 1dz2 -0.009279 0.017701 0.006586 -0.002572 0.001317 -0.001458 1Rh 1dxz 0.027874 -0.019023 -0.011958 -0.004790 -0.034932 -0.012708 1Rh 1dyz 0.006423 -0.009043 0.006714 0.007514 -0.002641 0.001386 1Rh 1dx2y2 0.017580 -0.005596 0.008758 -0.004348 -0.012102 -0.005401 1Rh 1dxy -0.011414 0.006134 -0.030684 -0.000070 0.006582 -0.009280 1Rh 2dz2 0.002332 -0.003006 -0.001773 0.002190 0.000151 0.000380 1Rh 2dxz -0.004127 0.003334 0.001435 0.001157 0.006112 0.001785 1Rh 2dyz -0.000674 0.001601 -0.000664 -0.001967 0.000123 -0.000242 1Rh 2dx2y2 -0.004158 0.000772 -0.000578 0.000694 0.002325 0.001597 1Rh 2dxy 0.001847 -0.001543 0.005884 -0.000021 -0.000885 0.001773 1Rh 3dz2 0.008299 -0.022019 -0.005497 -0.004013 -0.003163 0.001291 1Rh 3dxz -0.037390 0.023276 0.017484 0.004689 0.043108 0.017670 1Rh 3dyz -0.009821 0.011004 -0.010447 -0.006369 0.004639 -0.001853 1Rh 3dx2y2 -0.016942 0.007633 -0.014829 0.005765 0.014205 0.003933 1Rh 3dxy 0.014670 -0.005531 0.035531 0.000288 -0.009206 0.010826 1Rh 4dz2 0.043114 -0.059262 -0.031221 0.031475 -0.000905 0.007208 1Rh 4dxz -0.083220 0.065834 0.030669 0.019338 0.118404 0.035579 1Rh 4dyz -0.014287 0.031219 -0.014643 -0.036337 0.004303 -0.002584 1Rh 4dx2y2 -0.076526 0.016720 -0.014061 0.011058 0.044538 0.028078 1Rh 4dxy 0.036200 -0.028216 0.112805 -0.001263 -0.017816 0.034917 1Rh 5dz2 -0.150294 0.082792 0.083512 -0.115333 0.021496 -0.039473 1Rh 5dxz 0.076150 -0.150823 -0.006001 -0.052101 -0.187649 -0.008724 1Rh 5dyz -0.031350 -0.052851 -0.039366 0.124557 0.014345 -0.045775 1Rh 5dx2y2 0.230533 0.011913 -0.072932 0.044046 -0.115794 -0.091215 1Rh 5dxy -0.058997 0.103238 -0.256956 0.028215 -0.004439 -0.094906 1Rh 1f0 -0.011425 0.008084 -0.000963 -0.007336 0.002228 -0.005793 1Rh 1f+1 -0.012900 0.015337 0.004101 0.000910 0.013526 -0.003428 1Rh 1f-1 0.004991 -0.003848 -0.004273 -0.000929 -0.002056 -0.003478 1Rh 1f+2 0.002750 0.008785 -0.001271 -0.005601 -0.001581 0.003427 1Rh 1f-2 0.006578 0.000827 -0.003802 0.013982 0.001242 0.006674 1Rh 1f+3 -0.005233 0.006822 0.001510 0.005329 -0.001084 -0.003259 1Rh 1f-3 0.008965 -0.008837 0.008005 -0.006614 0.014009 -0.001564 2C 1s -0.003046 -0.000448 0.004303 0.001734 0.003819 0.000121 2C 2s -0.009974 -0.003729 0.012156 0.003877 0.008893 0.003260 2C 3s 0.014150 0.038257 -0.015558 0.002817 0.038791 -0.075094 2C 4s -0.020795 -0.356286 -0.056937 -0.038426 -0.172594 0.446268 2C 5s 1.152631 3.652032 -3.962247 1.738301 -3.706036 1.099789 2C 1pz 0.013491 0.008511 -0.017839 0.018408 0.029618 -0.012932 2C 1px -0.004268 0.015556 -0.005262 0.008292 -0.002533 0.009509 2C 1py 0.004012 0.005338 -0.012636 0.010595 -0.008433 -0.009678 2C 2pz -0.023565 -0.062867 -0.209648 0.140276 -0.067943 0.082080 2C 2px -0.058895 0.019271 0.034971 0.051796 -0.053843 0.153104 2C 2py 0.121417 0.079244 0.075669 -0.059611 -0.075909 0.095704 2C 3pz -0.090402 0.520353 -1.276486 0.521908 -1.164598 0.379333 2C 3px -0.412937 -0.190273 0.360448 -0.096218 -0.480509 0.613360 2C 3py 0.731326 0.829248 -0.185735 0.121728 -0.070179 0.429214 2C 1dz2 0.000167 0.000640 0.000229 -0.001897 -0.004852 0.002700 2C 1dxz -0.001999 -0.001290 -0.000429 -0.000095 -0.002175 0.000969 2C 1dyz 0.000165 0.000752 -0.004526 0.003351 -0.002240 0.002653 2C 1dx2y2 -0.000601 -0.000637 -0.001846 0.000386 0.000257 -0.003387 2C 1dxy 0.003643 0.003405 0.003325 -0.000339 0.003510 -0.000264 2C 2dz2 0.040631 0.018466 0.064257 -0.021718 -0.034202 0.036805 2C 2dxz 0.120809 -0.005601 0.016227 -0.028025 0.024021 -0.053943 2C 2dyz -0.081149 0.037207 0.052354 0.029564 0.008242 0.093427 2C 2dx2y2 0.082582 0.021210 0.189489 -0.115532 -0.077590 0.069620 2C 2dxy -0.114163 -0.181975 -0.161531 0.024682 -0.161107 -0.023592 2C 1f0 0.008888 0.005918 0.007213 -0.002007 0.000858 0.003225 2C 1f+1 -0.001213 -0.003375 -0.005871 0.005108 -0.001504 0.002185 2C 1f-1 0.004418 0.001023 -0.006026 0.000691 -0.005116 0.000215 2C 1f+2 -0.004006 -0.005656 0.003186 0.003510 0.005698 -0.001435 2C 1f-2 0.008222 0.000496 -0.004485 -0.000111 -0.005584 0.000804 2C 1f+3 -0.001683 0.000215 0.007420 0.000571 0.003345 0.002416 2C 1f-3 -0.004297 0.002371 0.001462 -0.000746 -0.000576 0.000706 3C 1s -0.006013 0.002596 -0.001452 -0.003166 0.004464 -0.000838 3C 2s -0.017011 0.004327 -0.004805 -0.010773 0.014309 -0.000800 3C 3s -0.000949 0.038768 0.020531 0.046783 -0.090742 -0.042091 3C 4s 0.034596 -0.307228 0.011183 -0.356176 0.517163 0.164629 3C 5s 7.508194 -1.742138 0.251410 2.229696 -3.076037 2.288651 3C 1pz 0.015396 0.004962 0.012848 0.004133 -0.001290 0.011332 3C 1px 0.002092 0.004204 0.004889 0.004890 -0.018287 -0.008528 3C 1py -0.012536 -0.012714 -0.015379 0.004841 0.005253 0.018979 3C 2pz 0.113716 -0.036610 0.133855 0.090596 0.049806 0.111296 3C 2px 0.025746 -0.103136 0.078745 0.137687 -0.008151 -0.014408 3C 2py -0.148197 0.019503 0.044542 0.164124 -0.100540 -0.066232 3C 3pz 1.235757 -0.044923 0.392490 0.624468 -0.574398 -0.141051 3C 3px 0.521155 -0.606240 0.332799 0.297852 0.016483 0.218503 3C 3py -1.629725 0.644146 0.327511 0.039143 0.276592 -0.847924 3C 1dz2 -0.000814 0.001148 -0.003209 -0.003092 -0.000123 -0.001496 3C 1dxz 0.002072 -0.003055 0.002584 0.001495 0.001808 0.000907 3C 1dyz -0.004764 0.000540 -0.000241 0.000197 0.001007 0.000951 3C 1dx2y2 -0.001658 0.003451 0.002473 0.000942 -0.001174 -0.003403 3C 1dxy -0.001976 0.000054 0.001338 0.001062 -0.002862 -0.003780 3C 2dz2 0.078704 0.003134 0.063335 0.030993 -0.086074 -0.093107 3C 2dxz -0.000073 0.063009 -0.195882 -0.221139 0.008982 -0.026819 3C 2dyz 0.008476 0.048381 0.038700 0.041280 -0.040706 -0.045777 3C 2dx2y2 -0.044277 -0.039607 -0.157349 -0.143997 -0.045429 -0.028778 3C 2dxy 0.003206 0.034507 0.017945 0.040082 0.068898 0.035669 3C 1f0 -0.001654 0.000003 -0.004227 -0.004514 -0.001576 -0.002177 3C 1f+1 0.000927 -0.001587 0.002838 0.004719 -0.002275 0.001846 3C 1f-1 0.005092 0.000112 0.004965 0.004107 -0.000696 -0.002605 3C 1f+2 -0.014408 0.000079 -0.003194 -0.004883 0.001026 -0.005098 3C 1f-2 -0.008005 0.003219 -0.000577 -0.006857 0.003332 0.000025 3C 1f+3 0.002353 -0.000137 -0.007232 -0.006240 0.000318 -0.001890 3C 1f-3 -0.003554 -0.000385 -0.008098 -0.004366 -0.001336 -0.001507 4C 1s -0.002098 0.002557 -0.000822 0.004945 0.005121 0.006092 4C 2s -0.007130 0.005891 -0.000313 0.010783 0.014614 0.014215 4C 3s 0.093650 0.014608 0.017889 0.037170 -0.191859 0.069933 4C 4s -0.293779 -0.286753 -0.557647 -0.585968 0.706662 -0.930251 4C 5s -1.525667 -2.990368 1.210174 -1.329604 2.961482 -1.149238 4C 1pz 0.043304 -0.021466 -0.027396 -0.054245 -0.061994 -0.049676 4C 1px -0.024939 0.028598 0.021563 0.064221 0.014995 0.016386 4C 1py 0.051180 0.007956 -0.006265 -0.009366 -0.013948 -0.022725 4C 2pz -0.004143 -0.238299 -0.112568 -0.362520 0.101810 -0.188301 4C 2px -0.037619 0.160657 -0.072283 0.554758 -0.081309 0.149138 4C 2py -0.075133 0.011535 -0.014090 -0.048843 0.003455 -0.133051 4C 3pz -0.120137 0.485050 -1.986003 1.061263 -1.173501 2.066135 4C 3px 0.554960 0.578261 -1.008050 0.797268 0.283345 -0.130425 4C 3py -1.222092 0.519528 -1.535907 0.680360 -1.456788 0.767396 4C 1dz2 0.000351 0.006348 -0.006825 0.000119 -0.002682 -0.000685 4C 1dxz 0.004008 0.013821 0.000148 0.005479 -0.001704 0.005128 4C 1dyz 0.011000 0.004245 -0.004830 0.000558 -0.005142 0.000246 4C 1dx2y2 -0.006006 0.001936 0.005163 -0.008878 0.010233 -0.005930 4C 1dxy -0.005435 -0.001048 -0.008466 0.004211 0.000335 -0.002395 4C 2dz2 -0.045162 -0.103622 0.078798 0.034586 0.122638 0.056259 4C 2dxz -0.017650 -0.009985 0.031964 0.205192 -0.032592 0.198975 4C 2dyz -0.192714 -0.033631 0.164485 -0.098960 0.100451 -0.058253 4C 2dx2y2 0.084989 -0.042337 -0.196106 0.049224 0.158915 -0.087528 4C 2dxy -0.038513 -0.061320 -0.051892 0.103671 -0.031961 -0.043945 4C 1f0 0.002790 0.001673 0.000728 0.004146 -0.005885 0.005760 4C 1f+1 -0.001741 0.005414 0.003211 0.008569 -0.012789 0.012197 4C 1f-1 -0.001739 -0.003580 -0.001304 -0.003226 -0.004549 0.004472 4C 1f+2 -0.004798 -0.005440 -0.006578 -0.010367 0.017721 -0.012977 4C 1f-2 0.003286 -0.001127 0.003161 0.009913 -0.001609 0.008340 4C 1f+3 -0.003077 0.004498 0.006361 -0.011618 0.004446 -0.004695 4C 1f-3 0.011377 -0.000518 0.007396 -0.003654 -0.008280 0.007270 5C 1s -0.003124 0.002835 -0.001227 -0.005515 0.005218 0.000973 5C 2s -0.010782 0.007537 -0.003743 -0.013741 0.012435 0.001593 5C 3s 0.141991 -0.039089 -0.028547 0.059404 0.050387 0.079637 5C 4s -0.124335 -0.212178 0.534098 0.128357 -0.942027 -0.584726 5C 5s -4.624639 0.224449 0.557715 -2.313990 1.254587 -1.716915 5C 1pz 0.021087 0.006948 -0.007079 0.011743 -0.025284 -0.003010 5C 1px -0.012582 -0.000134 0.055105 0.117776 0.004184 0.000916 5C 1py -0.049873 0.017571 -0.011151 -0.025629 0.065155 -0.001980 5C 2pz 0.003382 0.075535 0.072755 -0.164774 -0.126112 0.060873 5C 2px -0.112444 -0.312794 0.088251 0.746850 -0.193523 -0.138652 5C 2py 0.021365 0.022619 -0.090866 0.114304 0.091391 0.077292 5C 3pz 1.559173 -1.385771 -0.302274 -0.874985 -0.317864 1.345591 5C 3px 1.537933 -0.741804 0.186168 0.155076 0.029135 0.925979 5C 3py -3.207903 1.856277 -0.380203 0.789693 -0.038010 -0.709076 5C 1dz2 -0.001451 0.002072 0.001804 -0.001881 0.008969 0.003011 5C 1dxz 0.006619 0.002370 -0.002722 -0.002547 0.004353 0.004067 5C 1dyz -0.008374 -0.001883 -0.003018 -0.001904 0.003617 -0.000629 5C 1dx2y2 -0.010731 -0.000477 0.002915 0.000549 0.002243 -0.004152 5C 1dxy -0.010358 0.003922 -0.008013 -0.015143 0.001334 -0.001952 5C 2dz2 0.036258 -0.004934 -0.004085 0.072756 -0.003247 0.178662 5C 2dxz -0.106320 -0.076442 -0.106120 0.067937 0.094310 0.078140 5C 2dyz 0.201680 -0.021381 -0.024932 0.115380 0.011805 -0.046415 5C 2dx2y2 0.061278 -0.081140 0.096500 0.196280 -0.218777 -0.023287 5C 2dxy 0.144191 0.104047 0.140558 -0.085587 0.049515 0.138183 5C 1f0 -0.000441 -0.002153 -0.006906 0.007809 -0.000819 -0.004489 5C 1f+1 0.006231 0.005004 0.003977 -0.005101 0.013836 0.008325 5C 1f-1 -0.001541 -0.003290 0.000749 0.002481 0.001218 -0.006081 5C 1f+2 -0.000678 0.002730 0.005731 0.002949 -0.005299 0.001752 5C 1f-2 -0.001529 0.011911 0.004641 -0.017284 -0.005200 -0.003469 5C 1f+3 0.007749 0.002791 -0.004631 -0.007211 0.010564 0.010676 5C 1f-3 -0.009247 0.001740 0.010013 0.002681 -0.004782 -0.008093 6C 1s 0.004056 -0.002038 0.001633 -0.005143 -0.005054 -0.001203 6C 2s 0.011583 -0.007605 0.004812 -0.012586 -0.012062 -0.002131 6C 3s -0.087589 0.113426 0.018963 0.060321 -0.050794 -0.078577 6C 4s -0.189335 -0.155602 -0.508046 0.025460 0.930044 0.590480 6C 5s 1.950272 -4.106166 -0.131272 -2.254600 -1.279302 1.672200 6C 1pz 0.001374 -0.024099 -0.006951 -0.012252 -0.025271 -0.003428 6C 1px -0.001552 0.009364 0.073234 -0.106804 0.004745 -0.000484 6C 1py -0.036174 0.041007 -0.011676 0.020345 0.064655 -0.000938 6C 2pz -0.063681 -0.039310 0.029479 0.172799 -0.120281 0.062588 6C 2px 0.264079 0.211501 0.222066 -0.711235 -0.202801 -0.152386 6C 2py -0.021920 -0.017365 -0.051705 -0.129248 0.083559 0.077149 6C 3pz 1.834197 -0.820573 -0.386084 0.875376 -0.322699 1.366674 6C 3px 1.280470 -1.064656 0.268100 -0.081526 -0.003000 0.879059 6C 3py -2.866145 2.146285 -0.348353 -0.958593 -0.028652 -0.758152 6C 1dz2 0.002889 -0.000637 -0.001719 -0.002045 -0.008930 -0.003016 6C 1dxz -0.000067 0.006447 0.002871 -0.002267 -0.004330 -0.003891 6C 1dyz 0.001448 -0.008615 0.002961 -0.001079 -0.003471 0.000627 6C 1dx2y2 0.003020 -0.009755 -0.002540 0.000367 -0.002473 0.004431 6C 1dxy 0.007725 -0.008180 0.010721 -0.013144 -0.001768 0.001623 6C 2dz2 -0.019306 0.031204 -0.009433 0.072221 0.006890 -0.176116 6C 2dxz -0.032724 -0.132194 0.088219 0.089189 -0.093496 -0.075569 6C 2dyz -0.095346 0.178598 0.005616 0.109800 -0.010922 0.044936 6C 2dx2y2 -0.102015 0.031657 -0.126744 0.167352 0.222370 0.026326 6C 2dxy 0.039494 0.173304 -0.115993 -0.107894 -0.052545 -0.136842 6C 1f0 0.001711 0.001355 -0.005118 -0.008667 -0.000984 -0.004564 6C 1f+1 -0.002646 -0.007468 0.003093 0.005446 0.013912 0.008368 6C 1f-1 0.002439 0.002595 0.001257 -0.002271 0.001212 -0.005979 6C 1f+2 -0.002593 -0.000606 0.005952 -0.002028 -0.005333 0.001711 6C 1f-2 -0.011442 -0.003319 0.000930 0.017532 -0.004861 -0.003328 6C 1f+3 -0.000039 -0.007558 -0.005635 0.006228 0.010686 0.010823 6C 1f-3 -0.004658 0.007343 0.009953 -0.001064 -0.004646 -0.008157 7C 1s 0.002554 -0.000605 0.000627 0.005216 -0.005418 -0.005996 7C 2s 0.006777 -0.003416 -0.000031 0.011240 -0.015303 -0.014019 7C 3s -0.021681 0.090308 -0.022375 0.030175 0.192418 -0.069865 7C 4s -0.123482 -0.407234 0.587872 -0.478743 -0.685420 0.926238 7C 5s -1.973323 -2.691042 -1.153351 -1.570931 -2.899574 1.166371 7C 1pz 0.032337 -0.027663 -0.032988 0.051728 -0.062797 -0.048409 7C 1px -0.029925 0.008064 0.030243 -0.062070 0.014999 0.015569 7C 1py 0.012209 -0.049229 -0.006992 0.009642 -0.013654 -0.021903 7C 2pz 0.194067 0.118444 -0.147717 0.346618 0.098677 -0.186527 7C 2px -0.128083 -0.057130 0.014798 -0.575805 -0.092887 0.148358 7C 2py -0.044425 0.064905 -0.010645 0.043147 -0.002034 -0.129580 7C 3pz -0.299583 -0.160523 -1.922074 -1.453661 -1.140310 2.043182 7C 3px -0.250681 -0.734485 -0.869665 -0.960799 0.298090 -0.120058 7C 3py -0.834532 0.857693 -1.485971 -0.998750 -1.445921 0.761147 7C 1dz2 0.005514 0.002659 0.006989 0.001247 0.002542 0.000886 7C 1dxz 0.010511 0.009465 -0.000188 0.005849 0.001491 -0.005232 7C 1dyz -0.000566 0.011797 0.005016 0.001271 0.004954 -0.000238 7C 1dx2y2 0.004716 -0.004950 -0.004181 -0.009385 -0.009972 0.005799 7C 1dxy 0.001011 -0.005582 0.007114 0.005768 -0.000089 0.002319 7C 2dz2 -0.077397 -0.083000 -0.085001 0.020294 -0.121435 -0.054718 7C 2dxz -0.011566 -0.007248 -0.061618 0.201845 0.036048 -0.197414 7C 2dyz 0.049517 -0.186437 -0.148058 -0.119968 -0.100377 0.055015 7C 2dx2y2 -0.075414 0.055777 0.182978 0.081865 -0.158155 0.089741 7C 2dxy -0.045108 -0.051667 0.029425 0.110163 0.038180 0.046772 7C 1f0 -0.000310 -0.003507 0.001108 -0.003906 -0.005943 0.005628 7C 1f+1 -0.005003 -0.000794 0.003885 -0.008053 -0.012625 0.012102 7C 1f-1 0.002473 0.003296 -0.001770 0.003095 -0.004385 0.004506 7C 1f+2 0.002566 0.007425 -0.007482 0.009175 0.017743 -0.013097 7C 1f-2 0.002917 -0.003091 0.004455 -0.009523 -0.001854 0.008247 7C 1f+3 -0.005845 0.001490 0.004342 0.012406 0.004678 -0.004588 7C 1f-3 0.004712 -0.010047 0.006177 0.005308 -0.007846 0.007343 8C 1s 0.004796 -0.004671 0.001807 -0.002561 -0.004470 0.000814 8C 2s 0.010746 -0.014403 0.006090 -0.008959 -0.014349 0.000690 8C 3s 0.035631 0.015765 -0.027058 0.042338 0.090932 0.043307 8C 4s -0.291951 -0.092052 0.042500 -0.357565 -0.517294 -0.176080 8C 5s -4.434623 6.133989 -0.686626 1.905523 3.103022 -2.252489 8C 1pz 0.001415 -0.015465 0.012910 -0.001258 -0.001158 0.011073 8C 1px -0.003914 -0.003204 0.006163 -0.003221 -0.018631 -0.008784 8C 1py 0.007828 0.016891 -0.014946 -0.007320 0.005266 0.018409 8C 2pz 0.078879 -0.092110 0.149530 -0.063837 0.046765 0.108576 8C 2px 0.102899 0.011899 0.101841 -0.115804 -0.010882 -0.013104 8C 2py -0.070830 0.122981 0.071335 -0.157423 -0.104387 -0.069493 8C 3pz 0.508816 -1.127800 0.512456 -0.513836 -0.587797 -0.140122 8C 3px 0.749109 -0.257342 0.385390 -0.208377 0.015111 0.239793 8C 3py -1.200459 1.194041 0.302091 -0.036020 0.284486 -0.837781 8C 1dz2 0.001364 -0.000400 0.003773 -0.002464 0.000021 0.001437 8C 1dxz -0.003583 0.000833 -0.002903 0.000998 -0.001691 -0.000954 8C 1dyz 0.002208 -0.004138 0.000267 0.000394 -0.001030 -0.000862 8C 1dx2y2 0.003793 -0.000078 -0.002502 0.000615 0.001140 0.003345 8C 1dxy 0.000848 -0.001540 -0.001463 0.000832 0.002909 0.003764 8C 2dz2 -0.026803 0.077675 -0.066536 0.016892 0.086932 0.089263 8C 2dxz 0.059327 0.011314 0.230778 -0.183086 -0.014547 0.024559 8C 2dyz 0.041852 0.029144 -0.044873 0.033461 0.041604 0.046351 8C 2dx2y2 -0.016150 -0.059362 0.178847 -0.114866 0.044150 0.024651 8C 2dxy 0.024653 0.012111 -0.020595 0.037052 -0.070345 -0.031737 8C 1f0 -0.000651 0.001660 -0.004876 0.003658 -0.001517 -0.002065 8C 1f+1 0.001818 -0.000273 0.003545 -0.004043 -0.002337 0.001825 8C 1f-1 0.001765 -0.004958 0.005575 -0.002980 -0.000745 -0.002538 8C 1f+2 -0.005650 0.013272 -0.003575 0.003785 0.001073 -0.004999 8C 1f-2 -0.006101 0.006434 -0.001653 0.006287 0.003425 -0.000054 8C 1f+3 0.000916 -0.001742 -0.008170 0.004972 0.000551 -0.001750 8C 1f-3 -0.001122 0.003763 -0.008669 0.002994 -0.001258 -0.001422 9C 1s 0.000852 -0.002908 -0.004500 0.001042 -0.003808 -0.000057 9C 2s 0.000701 -0.010449 -0.012612 0.001936 -0.008838 -0.003110 9C 3s 0.028882 0.029167 0.015118 0.005976 -0.038529 0.074679 9C 4s -0.311541 -0.174753 0.055620 -0.036607 0.174541 -0.440565 9C 5s 2.562989 2.655958 3.879468 2.505653 3.622171 -1.118101 9C 1pz -0.002106 -0.015119 -0.015238 -0.020936 0.029395 -0.014089 9C 1px -0.015385 -0.003216 -0.004280 -0.010014 -0.002555 0.009730 9C 1py -0.003223 -0.005421 -0.011011 -0.012698 -0.008259 -0.009670 9C 2pz 0.052787 0.052449 -0.181627 -0.172036 -0.069539 0.075500 9C 2px -0.035626 0.044419 0.035791 -0.054934 -0.058895 0.152154 9C 2py -0.028368 -0.142715 0.058997 0.070518 -0.072563 0.100003 9C 3pz -0.429570 -0.157815 -1.218052 -0.749274 -1.144371 0.369351 9C 3px 0.031711 0.456814 0.303311 0.125000 -0.494606 0.609519 9C 3py -0.426032 -1.015630 -0.222761 -0.177214 -0.058235 0.447760 9C 1dz2 0.000574 0.000545 0.000193 -0.001875 0.004770 -0.002729 9C 1dxz -0.000565 -0.002454 0.000439 -0.000033 0.002167 -0.000975 9C 1dyz 0.000309 0.000504 0.004036 0.004076 0.002220 -0.002596 9C 1dx2y2 -0.000395 -0.000853 0.001670 0.000549 -0.000257 0.003404 9C 1dxy 0.001620 0.004681 -0.002945 -0.000792 -0.003561 0.000272 9C 2dz2 -0.000867 0.045772 -0.057251 -0.032231 0.032003 -0.040411 9C 2dxz -0.045879 0.111015 -0.013318 -0.036996 -0.028009 0.054483 9C 2dyz 0.064792 -0.055528 -0.053826 0.027287 -0.006375 -0.092205 9C 2dx2y2 -0.005855 0.090362 -0.164568 -0.144180 0.072822 -0.074209 9C 2dxy -0.119604 -0.177580 0.141373 0.042156 0.166040 0.025337 9C 1f0 -0.001885 -0.010527 0.006374 0.003031 0.001096 0.003415 9C 1f+1 0.002771 0.002253 -0.004668 -0.005897 -0.001698 0.002065 9C 1f-1 0.000732 -0.004065 -0.005637 -0.001558 -0.005041 0.000192 9C 1f+2 0.003453 0.005918 0.004135 -0.002849 0.005773 -0.001455 9C 1f-2 0.002815 -0.007653 -0.004398 -0.000343 -0.005350 0.000689 9C 1f+3 -0.000882 0.000966 0.007260 0.000554 0.003332 0.002425 9C 1f-3 -0.003826 0.003137 0.001455 0.000679 -0.000585 0.000825 10H 1s -0.000211 0.001900 -0.000688 0.011088 0.014348 -0.003953 10H 2s -0.117614 -0.217666 -0.037515 0.125443 0.298156 -0.142060 10H 3s 0.067760 -0.231541 -0.132552 -0.056097 0.326159 -0.163752 10H 1pz -0.016438 -0.019069 -0.007882 -0.001180 -0.001790 -0.009859 10H 1px -0.001311 0.002389 0.015243 -0.008848 -0.009290 0.014754 10H 1py 0.011554 -0.003381 0.016236 -0.015615 0.004848 0.001928 11H 1s -0.010222 -0.012632 0.003346 0.006511 0.007382 -0.000616 11H 2s -0.475876 -0.330505 0.041458 0.211474 0.138003 0.155404 11H 3s -0.566370 -0.760744 0.118450 -0.050273 -0.197196 0.369197 11H 1pz -0.022927 -0.010571 -0.010558 0.016878 0.007690 0.000278 11H 1px -0.025394 -0.004006 0.005360 0.004412 -0.002797 0.006527 11H 1py 0.012527 0.017728 0.017765 -0.008648 0.014633 -0.005283 12H 1s 0.003756 -0.002242 0.009197 0.001549 0.023369 0.001252 12H 2s -0.024600 0.050199 0.548287 -0.074816 0.318731 0.190174 12H 3s 0.084439 -0.174681 0.734079 -0.297854 0.420685 0.308761 12H 1pz -0.009716 -0.014174 -0.010873 0.005379 -0.009659 -0.002851 12H 1px 0.001586 0.001658 0.018679 -0.000478 0.006972 0.016375 12H 1py 0.006289 0.017560 0.041499 -0.014127 0.007885 0.005256 13H 1s -0.009095 0.014512 0.007104 -0.002804 0.005582 -0.012197 13H 2s -0.318882 0.206577 -0.100020 -0.402497 0.235963 -0.107785 13H 3s -0.393636 0.221987 -0.164205 -0.367750 0.193054 -0.281424 13H 1pz -0.011462 0.003259 0.000254 -0.007175 0.000781 -0.004037 13H 1px 0.000576 -0.014889 0.014454 0.016989 0.004727 0.003716 13H 1py 0.012090 -0.000863 0.016900 0.029332 -0.003144 -0.007528 14H 1s -0.010334 0.000999 0.006477 -0.010554 0.012979 -0.013556 14H 2s -0.336112 -0.060585 0.289956 0.081153 0.230040 -0.087073 14H 3s -0.451827 -0.210421 0.365744 0.023144 0.349731 -0.184673 14H 1pz -0.009841 0.000339 0.016681 0.021686 -0.004584 0.007232 14H 1px -0.009106 -0.011030 0.026046 0.028583 0.004766 -0.001201 14H 1py 0.013077 -0.002847 0.011605 0.005744 -0.010706 -0.001269 15H 1s -0.015826 0.006295 -0.004359 -0.019641 0.017792 0.000453 15H 2s -0.466085 0.021725 -0.256925 -0.536765 0.376805 -0.052355 15H 3s -0.576899 -0.338457 -0.325095 -0.699347 0.751171 0.195834 15H 1pz 0.008557 0.004645 0.016737 0.017145 -0.013452 -0.009759 15H 1px -0.002694 -0.007050 0.008774 0.009893 -0.001590 0.005073 15H 1py 0.015670 -0.004691 0.020447 0.023109 0.003530 0.009477 16H 1s -0.012049 -0.003099 0.007277 0.010975 -0.013651 0.014663 16H 2s 0.054609 -0.101837 0.018743 -0.120870 0.106029 -0.248187 16H 3s 0.355149 -0.230724 -0.072138 -0.490017 0.218040 -0.732432 16H 1pz 0.013606 -0.001147 0.003304 -0.007205 0.005810 -0.035363 16H 1px -0.003922 0.001616 0.012388 0.012371 -0.024722 0.019165 16H 1py 0.001129 -0.012632 -0.011521 -0.015266 0.014369 0.004072 17H 1s -0.012865 0.009415 0.009409 -0.012053 -0.019325 -0.008176 17H 2s -0.097129 -0.184425 -0.128997 -0.093966 0.152081 0.207449 17H 3s -0.180506 -0.464793 -0.357138 -0.018397 0.441856 0.438411 17H 1pz 0.011600 -0.001325 -0.001433 0.000554 0.006768 -0.017274 17H 1px -0.004690 0.019585 0.020274 0.001116 -0.030060 -0.029492 17H 1py -0.005233 -0.013113 -0.011600 -0.006080 0.018262 -0.004852 18H 1s 0.014704 -0.007397 -0.007388 -0.013673 0.019389 0.008694 18H 2s -0.122922 -0.176685 0.124696 -0.067681 -0.143487 -0.208822 18H 3s -0.353739 -0.377863 0.316103 0.052970 -0.417685 -0.440421 18H 1pz 0.006680 -0.010860 -0.002389 -0.000583 0.006674 -0.016718 18H 1px -0.020256 -0.005243 0.019204 0.002668 -0.029986 -0.030163 18H 1py 0.009981 0.010767 -0.011841 0.003829 0.017798 -0.004729 19H 1s 0.001815 -0.011263 -0.008938 0.009413 0.013924 -0.014486 19H 2s -0.125190 0.010162 0.014593 -0.130535 -0.114089 0.243955 19H 3s -0.391208 0.220537 0.187908 -0.491290 -0.245365 0.720131 19H 1pz 0.007006 -0.012576 0.000915 0.008247 0.006288 -0.035402 19H 1px -0.003270 0.002291 0.014302 -0.010131 -0.024891 0.018842 19H 1py 0.012161 0.005203 -0.014081 0.013197 0.014592 0.004412 20H 1s 0.012421 -0.012751 0.007165 -0.017893 -0.017952 -0.000634 20H 2s 0.207566 -0.437214 0.334627 -0.466499 -0.384337 0.044957 20H 3s -0.088383 -0.686406 0.432510 -0.618796 -0.755488 -0.203548 20H 1pz -0.000758 -0.010749 0.019500 -0.013920 -0.013880 -0.009646 20H 1px 0.005832 0.004992 0.010011 -0.008142 -0.001894 0.004958 20H 1py 0.010447 -0.013315 0.024210 -0.018705 0.002735 0.009114 21H 1s 0.005519 -0.009245 -0.005200 -0.011129 -0.012753 0.013009 21H 2s 0.076838 -0.323475 -0.310770 0.040041 -0.222408 0.083313 21H 3s -0.021552 -0.465821 -0.372064 -0.027080 -0.343518 0.168961 21H 1pz -0.003597 0.008148 0.020480 -0.018995 -0.005140 0.006635 21H 1px 0.006995 0.011235 0.030606 -0.023714 0.004314 -0.001371 21H 1py 0.007326 -0.011501 0.012667 -0.003302 -0.011221 -0.000965 22H 1s 0.017034 -0.002623 -0.006636 -0.003349 -0.005648 0.012027 22H 2s 0.316687 -0.224206 0.158437 -0.361285 -0.240331 0.104808 22H 3s 0.358268 -0.285174 0.215399 -0.319302 -0.190257 0.277916 22H 1pz -0.007453 0.009179 -0.000344 0.006529 0.000784 -0.004155 22H 1px 0.013979 0.004146 0.016827 -0.013772 0.004354 0.003886 22H 1py 0.005825 -0.011630 0.021672 -0.025639 -0.003428 -0.007590 23H 1s -0.002827 0.001712 -0.009273 -0.000026 -0.022939 -0.000934 23H 2s 0.066895 -0.000678 -0.517174 -0.154414 -0.316392 -0.194656 23H 3s -0.169556 -0.001282 -0.669632 -0.412670 -0.415394 -0.314397 23H 1pz 0.009491 0.014206 -0.009112 -0.006478 -0.009710 -0.003261 23H 1px -0.000305 -0.002202 0.016889 0.002472 0.006603 0.016397 23H 1py -0.014175 -0.013843 0.037652 0.020135 0.008295 0.006366 24H 1s -0.007109 -0.014858 -0.004720 0.005570 -0.007092 0.001205 24H 2s -0.116560 -0.570167 -0.084124 0.208366 -0.123052 -0.143954 24H 3s -0.463044 -0.832884 -0.130207 -0.075596 0.209691 -0.357063 24H 1pz 0.001473 0.024777 -0.007004 -0.018967 0.007014 -0.000084 24H 1px -0.005699 0.025547 0.005587 -0.004850 -0.003929 0.006625 24H 1py -0.011840 -0.018295 0.015649 0.011210 0.014893 -0.004617 25H 1s 0.001933 0.000683 -0.001282 0.010854 -0.014332 0.004522 25H 2s -0.140775 -0.196323 -0.001308 0.116080 -0.299152 0.151612 25H 3s -0.221932 -0.041094 0.111519 -0.055753 -0.327753 0.166839 25H 1pz 0.010172 0.023159 -0.006736 0.000369 -0.001937 -0.010085 25H 1px -0.002580 0.001034 0.012345 0.010103 -0.009859 0.014925 25H 1py 0.006682 -0.009282 0.013446 0.018489 0.005070 0.002511 26O 1s -0.007088 -0.003813 0.004701 -0.000480 0.003046 0.006762 26O 2s -0.015634 -0.008461 0.010507 -0.001194 0.006290 0.013980 26O 3s -0.002214 0.001403 -0.002960 0.008341 0.011209 0.018165 26O 4s 0.212726 0.100854 -0.174595 -0.031886 -0.109377 -0.368356 26O 5s -0.014586 -0.072847 1.180098 -0.398170 -0.343079 1.143331 26O 1pz -0.021565 -0.082429 -0.034910 0.017988 -0.027351 0.050772 26O 1px 0.045096 0.018998 0.003360 0.035389 -0.024282 -0.009783 26O 1py -0.046987 0.052741 0.078140 -0.023021 0.004057 0.001576 26O 2pz -0.056919 -0.223790 -0.122550 0.059512 -0.069005 0.144807 26O 2px 0.109276 0.021510 -0.080348 0.112875 0.005275 -0.082831 26O 2py -0.121265 0.130807 0.190086 -0.064685 -0.025234 -0.036255 26O 3pz 0.209433 0.855690 0.278562 -0.153929 0.217959 -0.671010 26O 3px -0.669399 -0.030527 -0.337733 0.189346 0.076384 0.024684 26O 3py 0.526389 -0.333627 -0.831828 0.554084 0.485581 0.100377 26O 1dz2 0.001382 -0.002618 0.002258 -0.001472 -0.000335 0.001002 26O 1dxz 0.003876 0.002843 -0.000570 -0.001650 -0.000478 -0.006894 26O 1dyz -0.000024 0.000087 0.000333 -0.002291 -0.000387 -0.003992 26O 1dx2y2 -0.004373 -0.000429 0.001269 0.001469 -0.001983 -0.000507 26O 1dxy 0.004049 -0.001091 -0.005391 0.003251 0.003597 -0.001905 26O 2dz2 -0.037571 -0.024397 -0.047054 0.035128 0.006331 -0.001060 26O 2dxz -0.010940 -0.018329 -0.005112 0.000948 -0.009021 0.011569 26O 2dyz -0.000241 0.002276 0.039345 -0.023539 -0.012231 -0.002254 26O 2dx2y2 0.007536 -0.005541 -0.015382 0.002457 -0.006763 -0.000055 26O 2dxy -0.000197 -0.002310 0.007275 -0.009781 -0.018793 0.002316 26O 1f0 -0.000917 -0.001135 0.000869 0.000710 0.001205 0.001286 26O 1f+1 0.002008 0.000127 0.000138 -0.001319 -0.001961 0.001070 26O 1f-1 0.000021 0.000823 0.000718 -0.000876 -0.000170 -0.000842 26O 1f+2 0.001158 0.000261 -0.000438 -0.000224 -0.000923 -0.000752 26O 1f-2 0.000328 0.000605 -0.001522 0.000004 -0.000881 -0.000880 26O 1f+3 0.002332 -0.000180 -0.001647 0.000382 -0.000560 0.000038 26O 1f-3 0.000215 -0.000113 0.000695 -0.000787 -0.002422 0.000533 27O 1s -0.003707 -0.001226 -0.000989 -0.005605 0.007986 -0.000774 27O 2s -0.008137 -0.001405 -0.001378 -0.013757 0.016319 -0.002261 27O 3s -0.005771 -0.025356 -0.014910 0.031527 0.021276 0.004940 27O 4s 0.133335 0.141570 0.155354 0.040670 -0.416370 -0.038981 27O 5s -0.183091 0.195358 -0.863601 -0.203195 1.389758 0.639544 27O 1pz 0.003753 -0.067945 0.028899 0.034614 -0.032168 0.024477 27O 1px 0.000961 0.016906 -0.000103 0.045247 -0.000401 0.045286 27O 1py 0.031545 0.033056 0.044924 0.029056 -0.064759 0.000337 27O 2pz -0.009640 -0.169445 0.064386 0.066613 -0.096361 0.100852 27O 2px -0.040204 0.022820 0.031678 0.156568 -0.133592 -0.004520 27O 2py 0.070626 0.082803 0.134548 0.125575 -0.113319 0.082868 27O 3pz 0.197833 0.573726 0.033078 0.009001 0.422581 -0.456012 27O 3px 0.027343 -0.839707 0.308456 0.486291 -0.216099 -0.445563 27O 3py -0.199615 -0.113722 -0.567351 -1.027786 0.391641 -0.484990 27O 1dz2 -0.000443 0.001777 -0.003461 -0.004076 0.001399 0.004417 27O 1dxz 0.002401 0.004586 0.000075 -0.000982 -0.001081 -0.004213 27O 1dyz 0.001942 0.000384 0.001803 0.001854 0.001953 0.001795 27O 1dx2y2 0.000540 -0.005015 0.002449 0.009098 -0.004099 -0.003622 27O 1dxy -0.001684 -0.001362 -0.005540 -0.006282 0.006453 -0.000485 27O 2dz2 -0.008884 -0.027356 0.041015 0.046488 -0.005780 0.003792 27O 2dxz -0.009432 -0.014416 0.004202 0.008805 0.002216 0.010782 27O 2dyz 0.029302 0.004991 0.001815 -0.007801 0.015237 -0.002947 27O 2dx2y2 0.018322 0.020833 0.029062 0.014408 0.012708 0.026358 27O 2dxy 0.000175 0.001627 0.002936 0.006304 -0.011488 -0.014844 27O 1f0 -0.000569 -0.001292 -0.000264 0.000268 0.000961 0.000407 27O 1f+1 0.001828 0.000490 -0.000432 -0.001390 0.000849 0.001502 27O 1f-1 0.000505 -0.000423 0.000089 -0.000032 -0.000220 -0.000166 27O 1f+2 0.002138 0.000086 -0.000476 0.000066 -0.000081 -0.000465 27O 1f-2 -0.000941 0.000032 -0.000580 -0.000322 -0.000282 -0.000415 27O 1f+3 0.003417 0.000182 0.001315 0.001014 0.000305 0.002150 27O 1f-3 0.000579 -0.000512 -0.000062 0.001280 -0.002289 -0.000019 28O 1s -0.002876 -0.005194 0.003043 0.002137 -0.005616 0.000986 28O 2s -0.006542 -0.012112 0.006868 0.006484 -0.011673 0.001234 28O 3s 0.004114 0.012521 -0.003113 -0.039563 -0.009519 0.010624 28O 4s 0.026174 0.020185 -0.103320 0.082439 0.285744 -0.135308 28O 5s 0.449913 0.842211 0.529359 0.403364 -1.234181 0.822254 28O 1pz 0.056601 -0.005576 0.048293 -0.058126 -0.024756 0.057823 28O 1px 0.008084 -0.048833 0.017303 -0.022566 0.018784 0.001860 28O 1py -0.137651 -0.011749 -0.056083 -0.016559 -0.044421 -0.012889 28O 2pz 0.136564 -0.017417 0.098520 -0.152485 0.108637 0.059029 28O 2px 0.048801 -0.061001 0.061246 0.010742 -0.038138 0.124869 28O 2py -0.369918 -0.043278 -0.128418 -0.000053 -0.115849 -0.077885 28O 3pz -0.392455 -0.175587 -0.517589 -0.669381 -0.272045 -0.615146 28O 3px 0.042518 0.582513 0.185344 0.762587 -0.378645 0.062327 28O 3py 1.360792 0.030096 0.126916 -0.217125 0.332257 0.264979 28O 1dz2 0.000649 0.000257 -0.002881 0.000108 0.001367 -0.003793 28O 1dxz -0.001155 0.003330 0.003286 0.009183 0.000545 0.008576 28O 1dyz 0.001983 -0.002300 -0.000430 0.000734 0.002046 -0.003129 28O 1dx2y2 0.001016 -0.004191 -0.001743 -0.005320 0.001694 -0.001277 28O 1dxy -0.006960 0.001502 0.002245 -0.001578 -0.001145 0.000447 28O 2dz2 0.016336 0.017023 0.024769 -0.012520 0.016581 0.022203 28O 2dxz -0.008936 0.003206 0.007378 -0.033840 0.051479 -0.008057 28O 2dyz -0.018388 0.002527 0.013239 0.002795 0.001105 -0.002182 28O 2dx2y2 0.026872 0.025441 0.021048 0.018906 0.006932 0.009680 28O 2dxy -0.000665 0.003541 0.003102 -0.001100 0.015132 -0.008741 28O 1f0 0.001724 0.000200 -0.000917 0.000140 -0.002598 0.000583 28O 1f+1 0.000706 -0.000853 0.000129 0.001624 -0.001729 0.000988 28O 1f-1 0.000425 -0.000468 0.000260 -0.000419 0.000987 0.000069 28O 1f+2 -0.002021 -0.000624 0.000760 -0.002498 0.002912 -0.000992 28O 1f-2 -0.001363 0.000212 0.001144 -0.000026 0.000836 -0.000008 28O 1f+3 -0.001562 -0.001335 0.000449 -0.001033 0.001878 -0.000352 28O 1f-3 -0.000665 0.000358 -0.000213 -0.000519 -0.000879 0.000438 29O 1s -0.001394 0.001252 0.000384 0.000260 -0.006194 0.000404 29O 2s -0.002328 0.003624 0.000981 0.001136 -0.014133 0.000842 29O 3s -0.014176 -0.015282 -0.002871 -0.009899 0.005782 0.001108 29O 4s 0.128382 -0.011933 -0.027916 0.005141 0.251796 -0.032118 29O 5s -0.348850 0.262646 0.232389 0.172257 -0.805348 0.155011 29O 1pz -0.055984 -0.015015 -0.007433 0.023488 0.001012 0.108334 29O 1px 0.036253 -0.009906 -0.045629 -0.003304 0.017817 0.015625 29O 1py 0.001441 0.044048 0.030504 0.039912 -0.049883 0.001825 29O 2pz -0.121247 -0.031896 -0.024899 0.082249 -0.002582 0.252733 29O 2px 0.061055 -0.046306 -0.100162 -0.017910 0.046245 0.036150 29O 2py -0.009961 0.122233 0.075351 0.085178 -0.118873 0.009850 29O 3pz 0.450612 0.118794 0.214224 -0.454395 -0.002287 -1.208981 29O 3px -0.026474 0.392333 0.392694 0.150359 -0.221210 -0.247097 29O 3py 0.069910 -0.560828 -0.267911 -0.312950 0.519945 -0.027212 29O 1dz2 0.001287 -0.001343 -0.000250 -0.000968 0.001263 -0.004065 29O 1dxz -0.001582 -0.002021 -0.001426 -0.002159 0.001681 0.002499 29O 1dyz 0.002699 0.001095 0.001576 -0.001521 -0.000091 -0.007273 29O 1dx2y2 -0.000000 0.002278 0.000680 0.000862 -0.000842 0.000995 29O 1dxy 0.000735 0.001834 0.002825 0.001698 -0.002399 -0.002274 29O 2dz2 -0.011484 -0.010628 -0.006398 0.008916 0.008014 0.042820 29O 2dxz 0.014588 0.012407 0.007204 -0.017003 0.003243 -0.055355 29O 2dyz -0.008953 0.005508 0.005304 0.012111 -0.013658 0.010466 29O 2dx2y2 -0.007637 -0.003187 0.006861 -0.008401 -0.014825 -0.016648 29O 2dxy 0.012199 -0.029021 -0.033679 -0.011399 0.046614 -0.000960 29O 1f0 0.000270 -0.000744 -0.000682 -0.000742 0.001628 -0.000303 29O 1f+1 0.000471 0.000478 0.000165 -0.000088 -0.001063 -0.001656 29O 1f-1 0.001196 -0.000850 -0.000867 -0.001124 0.001762 -0.001811 29O 1f+2 -0.000575 -0.000025 0.000004 0.000378 -0.000727 0.001880 29O 1f-2 0.000003 -0.001212 -0.001527 0.000262 0.002015 0.001451 29O 1f+3 -0.000121 0.000523 0.000515 -0.000217 -0.001559 -0.000891 29O 1f-3 0.000103 0.000463 -0.000419 -0.000375 -0.000182 -0.000722 30O 1s -0.004104 -0.006131 -0.004596 -0.005231 0.000534 0.004380 30O 2s -0.010173 -0.014717 -0.010173 -0.011877 0.001440 0.009021 30O 3s 0.021319 0.028384 0.002312 -0.000069 -0.006293 0.014240 30O 4s -0.030760 0.018230 0.165076 0.084850 -0.020299 -0.258414 30O 5s 0.441491 0.220270 -0.792919 1.215804 0.278048 0.725272 30O 1pz 0.027920 0.015733 -0.097956 -0.058436 -0.047917 0.032921 30O 1px -0.006327 -0.030814 0.006479 -0.034783 -0.000010 0.033664 30O 1py -0.009888 0.027293 -0.040324 -0.015489 -0.054851 -0.005304 30O 2pz 0.013086 0.076033 -0.176565 -0.218827 -0.112096 0.137645 30O 2px 0.020706 -0.133825 -0.043756 -0.040998 0.040830 0.118935 30O 2py -0.013336 0.041174 -0.172331 -0.015137 -0.161518 0.018442 30O 3pz 0.235297 0.045608 0.584357 0.097461 0.186847 -0.706893 30O 3px -0.137175 0.389537 -0.220953 1.014488 -0.010712 -0.462723 30O 3py -0.194334 -0.396048 0.420665 0.449660 0.921140 -0.047972 30O 1dz2 0.000685 0.000696 0.001434 0.002672 0.002630 -0.001658 30O 1dxz -0.002536 -0.000880 -0.002173 0.004779 0.000071 0.003352 30O 1dyz 0.000366 0.000176 -0.003170 0.001945 0.004119 0.001694 30O 1dx2y2 0.001172 -0.000809 -0.000947 -0.004118 0.003218 0.003973 30O 1dxy 0.002982 0.001469 0.000055 -0.002292 -0.006965 0.000614 30O 2dz2 -0.006112 -0.000410 -0.015824 -0.035881 -0.003180 0.015913 30O 2dxz -0.012645 0.013783 0.000327 -0.039109 0.004960 0.009017 30O 2dyz 0.017184 -0.005054 0.022979 -0.013305 -0.013588 -0.014150 30O 2dx2y2 -0.014670 0.008814 -0.008872 -0.009973 -0.010601 0.010715 30O 2dxy 0.009632 -0.018621 -0.018625 0.024808 -0.003984 0.002527 30O 1f0 0.002443 -0.001391 0.000282 0.001780 -0.000379 0.001103 30O 1f+1 0.000593 -0.001092 -0.000710 -0.000239 -0.001723 0.000456 30O 1f-1 -0.000592 -0.000393 -0.000074 0.000369 0.000134 0.000285 30O 1f+2 -0.001178 0.000404 0.000145 -0.002412 0.001168 0.000400 30O 1f-2 -0.000640 0.001537 0.001451 -0.001464 -0.000082 0.000158 30O 1f+3 -0.001188 -0.000344 -0.001291 -0.001094 0.001663 -0.000638 30O 1f-3 -0.002753 0.001290 0.000627 -0.002324 -0.000676 -0.000586 31O 1s -0.003781 -0.006307 0.005007 -0.004252 -0.000436 -0.004450 31O 2s -0.008923 -0.015464 0.010989 -0.009720 -0.001190 -0.009173 31O 3s 0.016432 0.031744 0.000713 -0.000068 0.005647 -0.014270 31O 4s 0.027776 -0.020817 -0.178704 0.050089 0.018447 0.258640 31O 5s 0.003892 0.490502 0.586622 1.341993 -0.256260 -0.691917 31O 1pz -0.002257 -0.027163 -0.107872 0.041668 -0.047072 0.032065 31O 1px 0.028991 0.016653 -0.002226 0.034695 0.002033 0.033933 31O 1py -0.029554 0.001626 -0.040986 0.008542 -0.054804 -0.004951 31O 2pz -0.061940 -0.029242 -0.215206 0.184625 -0.108420 0.135972 31O 2px 0.135992 0.034897 -0.050307 0.033040 0.042301 0.118404 31O 2py -0.044559 0.003124 -0.170577 -0.013326 -0.160976 0.019911 31O 3pz 0.042619 -0.279501 0.567141 0.011409 0.193947 -0.684361 31O 3px -0.418297 -0.035481 -0.035305 -1.035290 -0.025888 -0.471563 31O 3py 0.285310 0.335771 0.535288 -0.379746 0.904848 -0.065586 31O 1dz2 0.000377 0.000975 -0.001863 0.002402 -0.002648 0.001658 31O 1dxz 0.000121 -0.002850 0.001007 0.005105 0.000114 -0.003228 31O 1dyz 0.000000 0.000264 0.002643 0.002492 -0.004043 -0.001685 31O 1dx2y2 -0.001337 0.000704 0.001761 -0.003758 -0.003299 -0.003940 31O 1dxy 0.000154 0.003479 0.000691 -0.002382 0.006884 -0.000659 31O 2dz2 0.002111 -0.006616 0.022174 -0.032360 0.002424 -0.016566 31O 2dxz 0.017434 -0.007430 0.006840 -0.037916 -0.005733 -0.009364 31O 2dyz -0.010594 0.015082 -0.020416 -0.017678 0.013597 0.013567 31O 2dx2y2 0.014970 -0.011030 0.009589 -0.008044 0.010460 -0.010965 31O 2dxy -0.020701 0.001714 0.013851 0.026658 0.004076 -0.002164 31O 1f0 0.002203 -0.001724 0.000618 -0.001628 -0.000423 0.001051 31O 1f+1 0.001226 -0.000137 -0.000733 0.000169 -0.001749 0.000475 31O 1f-1 0.000154 0.000718 0.000044 -0.000378 0.000099 0.000241 31O 1f+2 -0.000829 0.000968 -0.000229 0.002308 0.001192 0.000381 31O 1f-2 -0.001606 -0.000073 0.001077 0.001629 -0.000028 0.000191 31O 1f+3 -0.000133 0.001260 -0.001405 0.000788 0.001652 -0.000630 31O 1f-3 -0.002275 0.002029 0.000254 0.002293 -0.000670 -0.000530 32O 1s 0.001740 -0.000318 -0.000333 0.000046 0.006199 -0.000332 32O 2s 0.004354 0.000314 -0.000935 0.000630 0.014144 -0.000678 32O 3s -0.008626 -0.018760 0.004017 -0.009282 -0.005803 -0.001214 32O 4s -0.063651 0.092634 0.025624 0.013977 -0.252105 0.028924 32O 5s 0.393158 -0.162076 -0.256465 0.130767 0.807911 -0.142684 32O 1pz -0.013105 0.059422 0.002578 -0.026709 -0.002087 0.107447 32O 1px 0.024252 -0.027465 -0.044838 -0.003702 0.017269 0.015592 32O 1py -0.042361 -0.019604 0.035968 -0.035598 -0.049259 0.003397 32O 2pz -0.028715 0.128100 0.002663 -0.090784 -0.009993 0.250193 32O 2px 0.070380 -0.033816 -0.099754 0.003296 0.044672 0.035253 32O 2py -0.122005 -0.040796 0.086265 -0.074916 -0.117558 0.013421 32O 3pz 0.105474 -0.483054 0.072114 0.508954 0.031797 -1.197903 32O 3px -0.381552 -0.150227 0.391451 -0.089690 -0.210875 -0.243235 32O 3py 0.559021 0.168341 -0.300937 0.280383 0.514249 -0.048170 32O 1dz2 -0.001973 0.000542 0.000695 -0.000976 -0.001419 0.003694 32O 1dxz -0.001081 -0.002471 0.001574 -0.001817 -0.001587 -0.002643 32O 1dyz -0.000434 0.003124 -0.000798 -0.001999 -0.000221 0.007319 32O 1dx2y2 0.002197 0.000821 -0.000780 0.000834 0.000840 -0.001151 32O 1dxy 0.001362 0.001521 -0.002854 0.001174 0.002273 0.002219 32O 2dz2 -0.005228 -0.015305 0.003576 0.009908 -0.007391 -0.042241 32O 2dxz 0.005503 0.018946 -0.002896 -0.019291 -0.003364 0.055685 32O 2dyz 0.008840 -0.006243 -0.007979 0.011344 0.013955 -0.010659 32O 2dx2y2 0.001094 -0.007898 -0.005428 -0.009400 0.015037 0.016378 32O 2dxy -0.031869 -0.001851 0.034154 -0.005974 -0.046551 0.001021 32O 1f0 0.000693 0.000222 -0.000719 0.000562 0.001523 -0.000162 32O 1f+1 -0.000303 -0.000710 0.000172 0.000169 -0.001150 -0.001720 32O 1f-1 0.001290 -0.000658 -0.001123 0.001021 0.001871 -0.001713 32O 1f+2 -0.000281 0.000522 0.000170 -0.000409 -0.000850 0.001894 32O 1f-2 0.001133 0.000595 -0.001396 -0.000563 0.001994 0.001551 32O 1f+3 -0.000507 -0.000138 0.000387 0.000310 -0.001505 -0.000837 32O 1f-3 -0.000409 -0.000299 -0.000492 0.000298 -0.000172 -0.000763 33O 1s -0.003547 -0.004572 -0.003489 0.001456 0.005835 -0.000964 33O 2s -0.008438 -0.010494 -0.008114 0.004918 0.012210 -0.001179 33O 3s 0.012003 0.007694 0.008964 -0.038335 0.008401 -0.010805 33O 4s -0.002743 0.031298 0.091384 0.101245 -0.285480 0.135878 33O 5s 0.595596 0.783433 -0.568444 0.315254 1.225131 -0.834158 33O 1pz 0.024557 -0.050701 0.036615 0.065279 -0.023480 0.059227 33O 1px 0.045673 0.013586 0.016570 0.026340 0.017405 0.001576 33O 1py -0.044446 0.133047 -0.053684 0.005205 -0.045840 -0.011521 33O 2pz 0.063771 -0.115379 0.069419 0.166968 0.112718 0.062363 33O 2px 0.075628 -0.022650 0.062960 -0.000309 -0.040897 0.125007 33O 2py -0.106185 0.361434 -0.115715 -0.024995 -0.119263 -0.075761 33O 3pz -0.038814 0.462619 -0.581972 0.586328 -0.277332 -0.624413 33O 3px -0.492740 -0.304418 0.285242 -0.730234 -0.375604 0.061442 33O 3py 0.492398 -1.258382 0.068983 0.261072 0.342047 0.254885 33O 1dz2 -0.000024 0.000568 0.002776 0.000568 -0.001358 0.003723 33O 1dxz 0.002816 0.000808 -0.004276 0.008812 -0.000581 -0.008544 33O 1dyz -0.002906 0.000893 0.000195 0.000659 -0.001984 0.003197 33O 1dx2y2 -0.003898 -0.001086 0.002298 -0.005136 -0.001640 0.001244 33O 1dxy 0.004106 -0.005716 -0.001925 -0.001690 0.001122 -0.000594 33O 2dz2 0.009460 0.022084 -0.021421 -0.015598 -0.017093 -0.022723 33O 2dxz 0.006977 -0.007837 -0.001208 -0.033813 -0.052601 0.008267 33O 2dyz 0.009172 -0.015433 -0.013892 0.000874 -0.000967 0.001984 33O 2dx2y2 0.011778 0.036179 -0.021927 0.015793 -0.007164 -0.009580 33O 2dxy 0.002777 0.000856 -0.002219 -0.001521 -0.015772 0.008515 33O 1f0 0.000493 -0.001640 -0.000886 -0.000245 -0.002608 0.000601 33O 1f+1 0.001050 -0.000363 0.000419 -0.001517 -0.001783 0.000978 33O 1f-1 0.000563 -0.000190 0.000211 0.000498 0.000975 0.000034 33O 1f+2 -0.000279 0.002112 0.000347 0.002545 0.002964 -0.000987 33O 1f-2 -0.000728 0.001139 0.001108 0.000161 0.000823 0.000016 33O 1f+3 0.000556 0.001978 0.000347 0.001099 0.001889 -0.000358 33O 1f-3 -0.000644 0.000494 -0.000256 0.000443 -0.000910 0.000460 34O 1s 0.000194 -0.004204 0.001881 -0.005257 -0.008174 0.000674 34O 2s 0.001700 -0.008726 0.003597 -0.013075 -0.016762 0.002000 34O 3s -0.022990 -0.015184 0.009177 0.032972 -0.020680 -0.004170 34O 4s 0.088811 0.190714 -0.156608 0.013029 0.419383 0.039637 34O 5s 0.248431 -0.127504 0.894798 -0.029364 -1.403643 -0.648015 34O 1pz 0.066569 0.020217 0.033846 -0.028571 -0.032988 0.024293 34O 1px -0.016776 -0.007217 0.009691 -0.045673 -0.002121 0.044002 34O 1py -0.019546 -0.043623 0.049414 -0.020059 -0.066745 -0.000735 34O 2pz 0.155886 0.068444 0.076127 -0.053845 -0.099432 0.101684 34O 2px -0.037421 0.023360 0.060701 -0.148844 -0.138178 -0.007374 34O 2py -0.048787 -0.101963 0.152873 -0.100546 -0.118645 0.078153 34O 3pz -0.456167 -0.398386 0.019257 -0.002572 0.430280 -0.463216 34O 3px 0.822316 0.288665 0.389754 -0.399243 -0.215959 -0.457330 34O 3py -0.005621 0.250190 -0.720364 0.912402 0.414251 -0.448062 34O 1dz2 0.001996 0.000049 0.003957 -0.003335 -0.001366 -0.004492 34O 1dxz 0.003481 0.004058 0.000168 -0.001072 0.001064 0.004144 34O 1dyz -0.000464 0.001924 -0.002062 0.001519 -0.001907 -0.001733 34O 1dx2y2 -0.005190 -0.001228 -0.003842 0.008329 0.004086 0.003727 34O 1dxy -0.000411 -0.002385 0.006290 -0.005129 -0.006516 0.000257 34O 2dz2 -0.022909 -0.016478 -0.049321 0.038482 0.007572 -0.003085 34O 2dxz -0.010195 -0.013742 -0.005773 0.008387 -0.002054 -0.011013 34O 2dyz -0.007425 0.027937 0.000529 -0.008753 -0.016030 0.003003 34O 2dx2y2 0.012568 0.025912 -0.030208 0.009701 -0.012404 -0.026176 34O 2dxy 0.001530 0.000652 -0.004805 0.005163 0.012033 0.014898 34O 1f0 0.001046 0.001055 -0.000200 -0.000311 0.000973 0.000409 34O 1f+1 0.000193 -0.001795 -0.000718 0.001288 0.000908 0.001550 34O 1f-1 0.000593 -0.000294 0.000068 0.000091 -0.000216 -0.000179 34O 1f+2 0.000699 -0.002017 -0.000494 -0.000056 -0.000062 -0.000453 34O 1f-2 -0.000440 0.000880 -0.000568 0.000211 -0.000301 -0.000410 34O 1f+3 0.001126 -0.003227 0.001360 -0.000714 0.000327 0.002138 34O 1f-3 0.000746 -0.000370 0.000160 -0.001205 -0.002358 -0.000084 35O 1s -0.000841 -0.007868 -0.004487 -0.001086 -0.003132 -0.006773 35O 2s -0.001940 -0.017286 -0.009924 -0.002562 -0.006520 -0.013982 35O 3s 0.002634 -0.002840 -0.000131 0.009081 -0.010320 -0.018471 35O 4s 0.008334 0.238319 0.182344 -0.008249 0.108887 0.369445 35O 5s -0.006370 -0.077352 -1.104509 -0.604544 0.331008 -1.152245 35O 1pz 0.067312 0.053030 -0.026594 -0.022206 -0.029223 0.049688 35O 1px 0.003463 -0.049922 0.006213 -0.032518 -0.022451 -0.010267 35O 1py -0.068242 0.020280 0.072459 0.032633 0.003179 0.002486 35O 2pz 0.185652 0.139803 -0.101738 -0.076023 -0.072764 0.141458 35O 2px 0.030585 -0.111452 -0.062947 -0.121519 0.005978 -0.084388 35O 2py -0.171438 0.050771 0.172358 0.087490 -0.027560 -0.035176 35O 3pz -0.723767 -0.503084 0.246198 0.190637 0.221467 -0.654455 35O 3px -0.214292 0.607333 -0.277239 -0.279332 0.049510 0.028389 35O 3py 0.538974 -0.318586 -0.696356 -0.673386 0.479196 0.095513 35O 1dz2 -0.002870 0.000267 -0.001855 -0.002022 0.000233 -0.000944 35O 1dxz 0.001195 0.004544 0.000856 -0.001698 0.000454 0.006845 35O 1dyz 0.000115 0.000022 0.000105 -0.002366 0.000367 0.003912 35O 1dx2y2 0.001260 -0.003932 -0.001752 0.001390 0.002239 0.000510 35O 1dxy -0.002840 0.003211 0.004654 0.004123 -0.003500 0.001913 35O 2dz2 -0.009213 -0.044029 0.038643 0.043075 -0.005339 0.001267 35O 2dxz -0.011913 -0.018451 0.003120 0.001516 0.009422 -0.011552 35O 2dyz 0.004063 0.001966 -0.034468 -0.029584 0.012114 0.001992 35O 2dx2y2 -0.007894 0.003541 0.014521 0.004267 0.006146 0.000026 35O 2dxy -0.000666 -0.002079 -0.006040 -0.011561 0.018656 -0.002368 35O 1f0 0.000715 0.001270 0.000976 -0.000593 0.001202 0.001283 35O 1f+1 0.000589 -0.001778 -0.000093 0.001383 -0.001915 0.001095 35O 1f-1 -0.000811 -0.000332 0.000551 0.000983 -0.000142 -0.000834 35O 1f+2 0.000193 -0.001176 -0.000484 0.000196 -0.000920 -0.000736 35O 1f-2 -0.000471 -0.000476 -0.001423 -0.000244 -0.000909 -0.000874 35O 1f+3 0.001060 -0.001977 -0.001573 -0.000600 -0.000524 0.000044 35O 1f-3 0.000145 -0.000097 0.000527 0.000978 -0.002393 0.000497 234 235 236 237 238 239 0.71679 0.72926 0.74374 0.75152 0.75234 0.76773 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s 0.002256 0.000674 -0.000886 0.000776 0.004458 -0.003425 0Rh 2s -0.004453 -0.002880 0.002262 -0.002734 -0.010765 0.013092 0Rh 3s 0.010414 0.002157 -0.003775 0.002844 0.019374 -0.011907 0Rh 4s 0.018303 0.013190 -0.009757 0.012332 0.046343 -0.059503 0Rh 5s 0.022367 -0.013810 -0.002132 -0.008540 0.014703 0.050264 0Rh 6s -0.194272 -0.015155 0.066530 -0.032224 -0.312098 0.122823 0Rh 7s 0.953180 0.035890 -0.236845 0.157852 1.899751 -0.634968 0Rh 8s 0.579644 0.239567 -1.419657 0.144454 -0.785109 -1.340876 0Rh 1pz 0.000392 0.003787 -0.001958 -0.000247 -0.002596 -0.005063 0Rh 1px -0.001523 -0.000518 0.014634 0.002470 0.007766 0.011182 0Rh 1py -0.001210 0.001648 -0.000551 -0.009408 0.005841 0.000050 0Rh 2pz -0.001423 -0.013111 0.005991 0.000617 0.008953 0.017602 0Rh 2px 0.005034 0.001859 -0.050218 -0.008471 -0.026789 -0.038547 0Rh 2py 0.004159 -0.006281 0.002070 0.032457 -0.020302 -0.000122 0Rh 3pz 0.002502 0.011824 0.010166 0.004237 -0.007373 -0.017436 0Rh 3px 0.000315 -0.003317 0.036153 0.005749 0.022240 0.032016 0Rh 3py -0.003231 0.016989 -0.004991 -0.026458 0.019605 -0.000719 0Rh 4pz -0.002040 0.018909 -0.069978 -0.020443 -0.014734 -0.017163 0Rh 4px -0.028392 0.006501 0.109698 0.021841 0.044045 0.059275 0Rh 4py -0.007764 -0.035294 0.008660 -0.060441 0.024779 0.001765 0Rh 5pz 0.002481 0.003517 0.095567 0.037107 -0.014861 -0.044350 0Rh 5px 0.056319 -0.038385 -0.054435 -0.032900 0.033829 0.082563 0Rh 5py 0.001069 0.072791 -0.013541 0.030861 0.020292 0.014824 0Rh 6pz 0.626049 0.292241 2.038852 0.515060 0.993629 0.215556 0Rh 6px -0.607842 0.161794 0.369568 0.402701 -2.139115 -1.509512 0Rh 6py -0.346870 1.504938 -0.552363 -0.573222 -0.462285 -0.375852 0Rh 1dz2 0.054854 0.016279 0.005644 0.000425 0.005870 -0.017248 0Rh 1dxz 0.008578 0.000487 -0.011077 0.001669 0.007679 -0.015081 0Rh 1dyz -0.027933 -0.001072 -0.005971 -0.001683 0.005476 0.002118 0Rh 1dx2y2 0.032104 0.003606 0.003406 -0.009506 -0.020083 0.023554 0Rh 1dxy 0.003963 -0.006792 0.007661 0.007105 -0.014292 0.001476 0Rh 2dz2 -0.010205 -0.002315 -0.001272 0.000278 0.000910 0.001899 0Rh 2dxz -0.001123 0.000682 0.001918 0.000134 0.001402 0.000469 0Rh 2dyz 0.005327 0.003251 0.001471 0.000214 -0.000098 -0.000663 0Rh 2dx2y2 -0.006706 -0.001265 -0.000557 0.000976 -0.000795 -0.000425 0Rh 2dxy -0.001273 0.001841 -0.001400 -0.002471 0.001221 0.001089 0Rh 3dz2 -0.066032 -0.022698 -0.005892 -0.002010 -0.015637 0.026713 0Rh 3dxz -0.012479 -0.003931 0.013864 -0.003986 -0.021341 0.028477 0Rh 3dyz 0.033060 -0.011463 0.005705 0.002457 -0.010590 -0.001398 0Rh 3dx2y2 -0.035451 -0.001792 -0.004418 0.014906 0.043502 -0.045551 0Rh 3dxy -0.002526 0.005699 -0.009347 -0.003734 0.023450 -0.007627 0Rh 4dz2 -0.193845 -0.045879 -0.023790 0.003630 0.009724 0.038213 0Rh 4dxz -0.023126 0.010631 0.039265 0.002191 0.014861 0.015211 0Rh 4dyz 0.099965 0.046212 0.026420 0.004500 -0.004980 -0.013027 0Rh 4dx2y2 -0.123660 -0.022715 -0.010313 0.021257 0.005284 -0.021456 0Rh 4dxy -0.021036 0.033556 -0.027145 -0.042291 0.029589 0.016355 0Rh 5dz2 0.368062 0.001425 0.057299 -0.015525 -0.144896 0.028735 0Rh 5dxz 0.022250 -0.072991 -0.121825 -0.050256 -0.179903 0.124809 0Rh 5dyz -0.169947 -0.289652 -0.084573 0.007391 -0.073253 0.061082 0Rh 5dx2y2 0.235820 0.080252 0.020629 0.008389 0.211969 -0.188001 0Rh 5dxy 0.056272 -0.148649 0.063003 0.151343 0.008210 -0.105879 0Rh 1f0 -0.005043 0.007671 -0.007628 -0.003310 -0.002530 0.006368 0Rh 1f+1 -0.001956 -0.001811 0.009624 0.003051 -0.000460 -0.004148 0Rh 1f-1 0.003173 0.008751 0.003687 0.001502 0.003642 -0.003765 0Rh 1f+2 -0.000443 0.006346 0.010003 0.005165 0.006243 -0.010814 0Rh 1f-2 -0.002542 -0.013472 0.001836 0.001549 0.001594 -0.004231 0Rh 1f+3 -0.003585 0.006191 0.017656 0.007158 0.005744 -0.012365 0Rh 1f-3 -0.003920 0.013256 0.006659 -0.002653 -0.003257 0.002947 1Rh 1s -0.002269 0.000723 -0.000633 0.000493 -0.004479 -0.003417 1Rh 2s 0.004511 -0.002965 0.001696 -0.002025 0.010704 0.013369 1Rh 3s -0.010456 0.002387 -0.002648 0.001626 -0.019534 -0.011689 1Rh 4s -0.018565 0.013535 -0.007346 0.009258 -0.046003 -0.060935 1Rh 5s -0.022079 -0.013253 -0.000769 -0.009110 -0.016272 0.054699 1Rh 6s 0.194493 -0.019191 0.047982 -0.013248 0.317072 0.111561 1Rh 7s -0.951630 0.052004 -0.127541 0.036671 -1.918580 -0.637534 1Rh 8s -0.583533 0.249685 -1.455266 0.208152 0.680752 -1.156003 1Rh 1pz 0.000508 -0.003933 0.002150 0.000127 -0.002331 0.005435 1Rh 1px -0.001413 0.000396 -0.015093 -0.001830 0.006880 -0.009606 1Rh 1py -0.001300 -0.001432 0.000322 0.009857 0.004937 0.002538 1Rh 2pz -0.001838 0.013611 -0.006657 -0.000207 0.008080 -0.018787 1Rh 2px 0.004653 -0.001432 0.051802 0.006268 -0.023771 0.033198 1Rh 2py 0.004459 0.005540 -0.001271 -0.034014 -0.017171 -0.008702 1Rh 3pz 0.003134 -0.012142 -0.009561 -0.004528 -0.007545 0.016433 1Rh 3px 0.000666 0.002848 -0.037463 -0.004019 0.020511 -0.029357 1Rh 3py -0.003246 -0.016434 0.004160 0.027937 0.016851 0.005732 1Rh 4pz -0.002481 -0.020179 0.070873 0.019596 -0.009575 0.027217 1Rh 4px -0.027800 -0.006759 -0.112308 -0.017761 0.035548 -0.042674 1Rh 4py -0.009228 0.036844 -0.009374 0.062425 0.019740 0.023214 1Rh 5pz 0.004730 -0.002549 -0.094269 -0.037058 -0.022104 0.028389 1Rh 5px 0.055921 0.036896 0.052527 0.034193 0.041360 -0.099961 1Rh 5py 0.002916 -0.073192 0.012148 -0.028994 0.021866 -0.025415 1Rh 6pz 0.639244 -0.278036 -2.098885 -0.512769 0.936716 -0.405613 1Rh 6px -0.602712 -0.116203 -0.245708 -0.555744 -2.137786 1.578039 1Rh 6py -0.326654 -1.550026 0.564201 0.499624 -0.531034 -0.796422 1Rh 1dz2 -0.055631 0.015372 0.005097 -0.000251 -0.005364 -0.008701 1Rh 1dxz -0.008829 0.000488 -0.010549 0.000683 -0.008017 -0.020947 1Rh 1dyz 0.028284 -0.000579 -0.005148 -0.002005 -0.005721 -0.003257 1Rh 1dx2y2 -0.032512 0.002968 0.001779 -0.008184 0.020445 0.030425 1Rh 1dxy -0.004039 -0.006836 0.006719 0.008123 0.013928 -0.001193 1Rh 2dz2 0.010346 -0.002095 -0.001029 0.000259 -0.000991 0.000272 1Rh 2dxz 0.001163 0.000732 0.002021 0.000146 -0.001294 0.001592 1Rh 2dyz -0.005426 0.003149 0.001362 0.000225 0.000179 0.000854 1Rh 2dx2y2 0.006808 -0.001259 -0.000569 0.001051 0.000626 -0.001510 1Rh 2dxy 0.001295 0.001840 -0.001327 -0.002529 -0.001129 0.002678 1Rh 3dz2 0.066981 -0.021821 -0.005827 -0.000578 0.014962 0.016369 1Rh 3dxz 0.012814 -0.004147 0.012374 -0.002059 0.021548 0.035488 1Rh 3dyz -0.033341 -0.012014 0.004520 0.003051 0.010740 0.002849 1Rh 3dx2y2 0.035828 -0.000543 -0.001118 0.011954 -0.043500 -0.054769 1Rh 3dxy 0.002583 0.005797 -0.007771 -0.005525 -0.023110 -0.008953 1Rh 4dz2 0.196509 -0.041897 -0.019708 0.003875 -0.011259 0.008434 1Rh 4dxz 0.023830 0.011401 0.040367 0.003077 -0.012846 0.036093 1Rh 4dyz -0.101650 0.044339 0.024197 0.004943 0.006303 0.016098 1Rh 4dx2y2 0.125470 -0.022130 -0.009174 0.021229 -0.008123 -0.041965 1Rh 4dxy 0.021399 0.033496 -0.025338 -0.043992 -0.027956 0.041403 1Rh 5dz2 -0.372232 -0.008906 0.041256 -0.007684 0.145189 0.059647 1Rh 5dxz -0.021850 -0.077263 -0.134375 -0.042469 0.169991 0.086599 1Rh 5dyz 0.174908 -0.285484 -0.084091 0.008826 0.068812 -0.097832 1Rh 5dx2y2 -0.240386 0.085787 0.034697 -0.007915 -0.198564 -0.179141 1Rh 5dxy -0.056588 -0.147476 0.064685 0.147476 -0.012341 -0.239930 1Rh 1f0 -0.005032 -0.007802 0.007608 0.003142 -0.001732 -0.007075 1Rh 1f+1 -0.001969 0.001795 -0.009639 -0.003067 -0.001380 0.004380 1Rh 1f-1 0.003304 -0.008800 -0.003881 -0.001350 0.003410 0.001334 1Rh 1f+2 -0.000335 -0.006477 -0.010342 -0.004677 0.005081 0.011111 1Rh 1f-2 -0.002560 0.013464 -0.001905 -0.001566 0.001088 0.001672 1Rh 1f+3 -0.003307 -0.006323 -0.018042 -0.006828 0.004232 0.014014 1Rh 1f-3 -0.003794 -0.013372 -0.006551 0.002515 -0.004119 -0.001469 2C 1s -0.001933 -0.001334 -0.001171 0.000417 -0.000924 0.000656 2C 2s -0.005159 -0.004698 -0.004749 0.001469 -0.002804 -0.000792 2C 3s 0.002884 0.005662 0.079436 -0.014702 0.014868 0.131193 2C 4s 0.004546 0.207477 -0.260131 0.069702 -0.139341 -0.666177 2C 5s 1.917927 3.200420 0.381339 -1.137711 1.656959 -0.029520 2C 1pz -0.008261 0.043033 0.026230 -0.018191 0.001450 0.016728 2C 1px 0.012711 0.001787 0.006384 -0.012245 0.013014 -0.002074 2C 1py 0.018633 0.029359 0.008652 0.018103 0.004820 0.010812 2C 2pz -0.095966 0.221689 -0.069198 -0.080133 -0.001257 -0.195676 2C 2px 0.089942 -0.137007 -0.108929 -0.021162 0.071980 -0.138948 2C 2py 0.242375 0.118425 -0.065061 0.143324 0.011576 -0.133774 2C 3pz -0.002719 1.220196 0.346274 0.050864 0.419147 -0.004771 2C 3px 0.224928 -0.642460 -0.750853 0.176883 -0.263224 -0.261576 2C 3py 0.792438 0.342834 0.275883 -0.727251 0.077386 0.116061 2C 1dz2 0.001190 0.001735 -0.002456 0.004494 0.001557 -0.001199 2C 1dxz -0.002578 0.001814 0.000178 0.004112 -0.002250 -0.001213 2C 1dyz 0.000374 0.004081 0.000755 -0.003882 0.000590 -0.001978 2C 1dx2y2 -0.002321 0.004296 0.000947 0.004245 0.001276 0.000928 2C 1dxy 0.001797 0.001286 0.003141 0.000229 -0.001701 -0.000355 2C 2dz2 -0.032040 0.167257 0.062307 0.243637 0.097176 -0.013016 2C 2dxz 0.129676 -0.062787 -0.135542 -0.028339 -0.093578 0.138131 2C 2dyz 0.097222 -0.085410 -0.039377 -0.125979 -0.032114 -0.032591 2C 2dx2y2 0.176924 -0.205646 -0.170899 0.140532 -0.057981 -0.076834 2C 2dxy -0.219327 -0.043062 -0.216291 0.067715 -0.037007 0.024102 2C 1f0 0.011234 0.000131 0.001986 0.004659 0.000127 -0.005446 2C 1f+1 -0.003362 -0.001180 -0.003428 -0.001349 0.002592 0.000078 2C 1f-1 -0.002139 0.006836 -0.001922 -0.000326 -0.000436 -0.006032 2C 1f+2 -0.003275 -0.004508 -0.000327 0.000670 -0.001353 0.010514 2C 1f-2 0.005807 -0.000649 -0.006792 0.001512 0.000217 -0.004061 2C 1f+3 0.007007 -0.003203 -0.000430 0.002630 0.000562 0.005606 2C 1f-3 0.000158 0.001429 0.003448 -0.000583 0.001161 -0.002578 3C 1s -0.002168 0.001336 -0.000843 0.000210 -0.000197 -0.000113 3C 2s -0.006543 0.004935 -0.003654 0.000543 -0.000577 -0.002534 3C 3s 0.028060 -0.041384 0.073873 -0.015618 0.016963 0.132414 3C 4s -0.039661 -0.010929 -0.280377 0.172966 -0.242313 -0.665204 3C 5s 2.015081 -3.447605 -0.296719 -0.747399 1.915347 1.061920 3C 1pz 0.010202 -0.023292 -0.003439 0.027245 -0.010377 0.020646 3C 1px -0.006476 -0.012460 0.007494 0.008653 0.018539 0.004600 3C 1py -0.025377 0.043466 -0.020065 0.009280 0.009515 -0.017195 3C 2pz -0.019792 -0.164577 -0.107120 0.191586 -0.078691 -0.046377 3C 2px -0.199195 0.024527 -0.166538 -0.012895 0.152523 -0.091199 3C 2py -0.176517 0.085054 0.058420 0.017722 0.065291 0.224543 3C 3pz 0.256642 -1.078024 0.453110 -0.455106 0.226722 0.389142 3C 3px -0.573085 0.208739 -0.784182 -0.591981 0.123955 0.051402 3C 3py -0.673994 0.832303 -0.126544 -0.312776 -0.326879 -0.143157 3C 1dz2 0.001121 0.003176 0.001302 -0.004855 0.001222 -0.000135 3C 1dxz -0.004374 -0.000104 -0.000955 -0.003803 -0.001582 -0.000737 3C 1dyz -0.002006 0.003637 -0.000225 0.003073 -0.001841 0.001537 3C 1dx2y2 -0.000152 -0.002256 0.003131 -0.004297 -0.001929 0.001482 3C 1dxy -0.000513 0.002810 -0.002143 -0.001204 0.002756 0.001046 3C 2dz2 -0.057990 -0.159605 0.136550 -0.215038 0.023433 0.060755 3C 2dxz 0.304141 -0.048134 0.083528 -0.030550 -0.052220 0.034740 3C 2dyz 0.013915 0.022263 -0.041004 0.051653 -0.052862 0.047377 3C 2dx2y2 0.044749 0.231362 -0.093312 -0.170471 -0.039205 -0.076767 3C 2dxy 0.094581 -0.141095 0.261231 0.175980 0.038520 -0.032325 3C 1f0 0.005953 0.001764 0.004228 -0.003103 -0.000520 -0.000713 3C 1f+1 -0.004140 -0.002417 0.002659 -0.000103 0.001159 -0.002199 3C 1f-1 -0.004995 0.002086 -0.005375 0.001170 0.001099 -0.000486 3C 1f+2 -0.002488 0.002064 0.000302 -0.004364 0.005706 0.010832 3C 1f-2 0.000122 -0.000376 0.005683 0.001487 -0.002658 0.007494 3C 1f+3 0.011344 0.002210 -0.002975 -0.003271 -0.000084 -0.003099 3C 1f-3 0.006788 0.004225 -0.004335 -0.002861 -0.000186 0.001191 4C 1s -0.000983 0.013570 0.000217 -0.005608 -0.001132 0.001192 4C 2s -0.003279 0.029227 0.001783 -0.014469 -0.003154 0.008532 4C 3s 0.029137 -0.021757 -0.184801 0.100390 0.007195 -0.414138 4C 4s 0.069104 -0.278879 1.648831 -0.338093 0.226524 2.551824 4C 5s -0.843326 -0.351042 1.369321 0.226242 -0.632127 2.079390 4C 1pz 0.026149 -0.068635 -0.070132 0.028935 -0.010275 -0.057366 4C 1px -0.009098 0.043673 0.083097 0.066254 0.091582 -0.031691 4C 1py 0.004375 -0.035339 -0.005957 -0.007089 0.019263 -0.059452 4C 2pz -0.034412 -0.232652 -0.013279 -0.057173 -0.120380 0.389610 4C 2px 0.172881 0.221256 0.434014 0.232970 0.550026 -0.012275 4C 2py 0.099396 -0.077933 0.200376 -0.024317 0.111342 0.216823 4C 3pz 1.128344 2.207310 0.334976 -1.070298 0.339671 0.544454 4C 3px -0.164587 2.373574 2.189541 -0.156388 0.494999 0.079572 4C 3py 0.173624 2.446103 0.973884 0.054969 0.414801 0.083580 4C 1dz2 0.002351 0.003760 -0.002109 -0.013381 -0.005093 -0.004305 4C 1dxz 0.005702 0.014119 0.005615 -0.004456 0.006090 -0.010527 4C 1dyz 0.004117 0.006835 -0.000182 0.005337 0.002086 0.002418 4C 1dx2y2 0.003344 -0.009897 0.014208 -0.009601 0.000345 0.012130 4C 1dxy -0.004584 0.005628 0.011409 -0.001292 0.007595 0.004249 4C 2dz2 -0.202793 -0.130335 -0.004779 -0.066495 -0.066399 0.032211 4C 2dxz 0.144362 -0.188376 -0.132185 -0.041835 0.054878 -0.078962 4C 2dyz 0.059451 -0.127031 0.070274 0.020607 -0.056006 0.220001 4C 2dx2y2 0.157552 0.034790 0.077958 -0.145170 0.006200 0.207445 4C 2dxy -0.165043 -0.005879 0.084444 0.110430 0.128151 0.157185 4C 1f0 -0.002305 -0.001113 -0.007022 -0.003186 -0.000870 -0.014236 4C 1f+1 0.001774 -0.000221 -0.013961 -0.000177 -0.000104 -0.035054 4C 1f-1 -0.001000 0.001690 -0.010196 -0.001241 -0.003728 -0.012974 4C 1f+2 -0.005835 0.000605 0.015790 -0.008067 -0.004075 0.029433 4C 1f-2 0.002001 -0.001453 -0.001426 0.008835 0.006798 -0.005521 4C 1f+3 -0.005179 0.001079 0.005566 -0.003449 -0.003359 -0.001167 4C 1f-3 -0.005149 0.001822 -0.016947 0.007989 -0.006314 -0.026614 5C 1s 0.002504 -0.015965 -0.002536 -0.000724 -0.000268 0.003794 5C 2s 0.005400 -0.037602 -0.004448 -0.003252 -0.000052 0.015884 5C 3s -0.063674 0.185361 -0.166838 0.053578 -0.003646 -0.474046 5C 4s 0.558100 -0.545439 1.632170 -0.234691 -0.007454 2.818139 5C 5s -0.029079 -0.076594 1.417315 0.540826 -1.117227 1.389312 5C 1pz -0.009992 0.077267 -0.034537 -0.037390 -0.020076 -0.064076 5C 1px 0.024670 -0.075477 0.063422 0.015618 0.075689 -0.019766 5C 1py 0.008307 -0.104576 0.039399 -0.021963 0.012737 0.069457 5C 2pz 0.009031 0.148025 -0.008204 -0.098876 -0.168421 0.271090 5C 2px 0.144812 -0.437400 0.449877 0.062781 0.541872 0.050788 5C 2py -0.078994 -0.134264 -0.064260 0.010636 0.113539 -0.397424 5C 3pz 0.752394 -1.192171 -0.565000 0.067005 0.440774 0.515595 5C 3px 0.950060 -2.780503 2.378249 1.280443 -0.177661 0.081641 5C 3py -1.076684 2.955292 0.059196 0.588477 -0.519319 -1.144369 5C 1dz2 -0.005863 0.007077 -0.014491 0.009746 -0.001951 -0.008898 5C 1dxz 0.005817 -0.004901 -0.002209 0.010555 0.001242 -0.011562 5C 1dyz -0.003516 -0.000260 0.002625 -0.003546 0.002663 -0.006954 5C 1dx2y2 -0.000210 0.006032 0.013273 0.008908 0.002593 0.014045 5C 1dxy 0.001979 0.013785 -0.006928 -0.006423 -0.006216 0.004033 5C 2dz2 -0.199130 0.044726 -0.093426 0.072682 -0.045928 -0.121916 5C 2dxz 0.141656 0.035240 -0.052884 0.083650 0.102339 -0.136795 5C 2dyz 0.038788 -0.002141 -0.122107 -0.065060 0.058247 -0.256734 5C 2dx2y2 0.145711 -0.190547 0.020035 0.082059 0.063750 0.086480 5C 2dxy 0.194026 -0.136403 0.053978 0.163051 -0.182452 -0.036446 5C 1f0 -0.003111 0.004840 -0.003328 0.000152 0.006559 -0.007305 5C 1f+1 -0.005438 0.008102 -0.012782 0.010296 -0.008010 -0.019497 5C 1f-1 0.002210 -0.002640 0.002763 -0.003468 0.003594 0.001922 5C 1f+2 0.001327 -0.006450 0.008514 -0.003410 -0.001567 0.011023 5C 1f-2 0.005495 -0.003799 0.014431 0.000355 -0.012527 0.031320 5C 1f+3 -0.008386 0.008785 -0.012091 0.000507 -0.003792 -0.028468 5C 1f-3 0.003750 -0.010858 0.013979 0.004048 0.001165 0.034577 6C 1s -0.002305 -0.016468 -0.002583 -0.000700 0.000072 -0.004813 6C 2s -0.004920 -0.038792 -0.004503 -0.003241 -0.000358 -0.005314 6C 3s 0.061731 0.190852 -0.166803 0.053345 -0.005510 -0.365075 6C 4s -0.557443 -0.566401 1.624421 -0.230164 0.112928 2.387757 6C 5s 0.030805 -0.061836 1.381529 0.623843 1.132207 2.036468 6C 1pz -0.009739 -0.078157 0.036222 0.034662 -0.023190 0.019378 6C 1px 0.023860 0.073109 -0.068693 -0.010022 0.074872 0.029943 6C 1py 0.007028 0.106792 -0.040440 0.022597 0.009692 -0.031375 6C 2pz 0.009682 -0.143391 0.020409 0.085682 -0.177847 -0.263142 6C 2px 0.140309 0.424728 -0.481796 -0.027490 0.535921 -0.037693 6C 2py -0.080394 0.129753 0.055035 -0.001505 0.118008 0.425898 6C 3pz 0.750954 1.260353 0.553533 -0.067864 0.469589 -0.078353 6C 3px 0.940688 2.836146 -2.347474 -1.280523 -0.167669 1.143237 6C 3py -1.039385 -3.076791 -0.074274 -0.631494 -0.435336 -0.693230 6C 1dz2 0.005736 0.007254 -0.014412 0.010179 0.000567 -0.000317 6C 1dxz -0.005964 -0.004970 -0.002170 0.010506 -0.002125 -0.009181 6C 1dyz 0.003614 0.000051 0.002838 -0.003941 -0.002589 -0.006911 6C 1dx2y2 -0.000039 0.006298 0.013614 0.008821 -0.002804 0.016078 6C 1dxy -0.002115 0.013615 -0.007354 -0.005937 0.006536 0.008781 6C 2dz2 0.200827 0.047473 -0.091169 0.078229 0.031280 -0.155148 6C 2dxz -0.141220 0.037873 -0.049014 0.079021 -0.115958 -0.027798 6C 2dyz -0.038687 -0.005369 -0.120854 -0.070167 -0.054326 -0.297320 6C 2dx2y2 -0.142364 -0.193089 0.022001 0.083777 -0.066116 0.103539 6C 2dxy -0.194207 -0.144574 0.038951 0.175104 0.174257 -0.080912 6C 1f0 -0.003040 -0.005053 0.002852 0.000238 0.006660 0.004279 6C 1f+1 -0.005374 -0.008202 0.013143 -0.010805 -0.006669 0.017143 6C 1f-1 0.002226 0.002601 -0.002915 0.003899 0.003281 -0.000849 6C 1f+2 0.001260 0.006429 -0.008455 0.003361 -0.002164 -0.005965 6C 1f-2 0.005621 0.004352 -0.013631 -0.001054 -0.013419 -0.023404 6C 1f+3 -0.008241 -0.009017 0.012160 -0.000549 -0.003072 0.029060 6C 1f-3 0.003671 0.010885 -0.014161 -0.004159 0.000772 -0.032112 7C 1s 0.000925 0.013688 0.000360 -0.004976 0.001231 0.010259 7C 2s 0.003184 0.029537 0.002133 -0.012909 0.003396 0.029827 7C 3s -0.029511 -0.023863 -0.187515 0.093035 -0.016738 -0.500455 7C 4s -0.069771 -0.274219 1.665515 -0.319415 -0.121913 2.890814 7C 5s 0.826516 -0.322972 1.370858 0.192015 0.711209 1.717734 7C 1pz 0.024795 0.070359 0.072296 -0.026806 -0.003586 0.102001 7C 1px -0.006157 -0.045275 -0.089007 -0.059807 0.087344 0.024232 7C 1py 0.004348 0.035285 0.005566 0.009956 0.016552 0.067343 7C 2pz -0.038000 0.236135 0.020466 0.050260 -0.114377 -0.429592 7C 2px 0.179865 -0.228275 -0.462140 -0.198557 0.528553 0.018517 7C 2py 0.100201 0.078621 -0.204701 0.031115 0.098924 -0.246542 7C 3pz 1.123373 -2.180715 -0.357073 0.947573 0.263082 -2.099990 7C 3px -0.099421 -2.363599 -2.203732 0.124286 0.305932 -1.143939 7C 3py 0.205414 -2.477941 -1.009697 -0.133298 0.382615 -1.853738 7C 1dz2 -0.002419 0.003384 -0.002410 -0.012933 0.005742 -0.006628 7C 1dxz -0.006035 0.013985 0.005818 -0.004790 -0.005239 -0.009237 7C 1dyz -0.004110 0.006935 -0.000070 0.005475 -0.002469 0.010908 7C 1dx2y2 -0.003423 -0.010064 0.014182 -0.009502 0.001129 0.009091 7C 1dxy 0.004412 0.005761 0.011909 -0.001541 -0.006675 0.006251 7C 2dz2 0.205884 -0.129538 -0.007545 -0.064664 0.074766 -0.086423 7C 2dxz -0.138800 -0.190001 -0.129848 -0.050595 -0.057738 -0.238412 7C 2dyz -0.059437 -0.127375 0.067332 0.018021 0.054174 0.129411 7C 2dx2y2 -0.154521 0.031094 0.077596 -0.144996 0.008667 0.219609 7C 2dxy 0.164898 -0.001947 0.092047 0.103010 -0.130981 0.114655 7C 1f0 -0.002332 0.001240 0.007065 0.003270 -0.000726 0.020307 7C 1f+1 0.001713 0.000368 0.014053 0.000488 0.000224 0.040491 7C 1f-1 -0.000993 -0.001528 0.010426 0.001207 -0.003241 0.013480 7C 1f+2 -0.005795 -0.000611 -0.015756 0.007454 -0.005285 -0.033906 7C 1f-2 0.001901 0.001315 0.001117 -0.008263 0.007329 0.007548 7C 1f+3 -0.004965 -0.001115 -0.005456 0.003091 -0.003857 -0.002961 7C 1f-3 -0.005050 -0.001809 0.017406 -0.008267 -0.005162 0.023732 8C 1s 0.002159 0.001443 -0.000780 0.000185 0.000025 0.001478 8C 2s 0.006523 0.005207 -0.003487 0.000484 -0.000011 0.002129 8C 3s -0.028222 -0.041199 0.074531 -0.016661 -0.011249 0.110578 8C 4s 0.042234 -0.024335 -0.293700 0.190409 0.215094 -0.669401 8C 5s -1.987618 -3.567465 -0.268883 -0.869179 -1.815444 -1.225698 8C 1pz 0.009958 0.024390 0.004138 -0.028430 -0.008720 -0.000096 8C 1px -0.006445 0.011339 -0.009164 -0.007585 0.019365 -0.000690 8C 1py -0.025272 -0.045429 0.018874 -0.009123 0.011897 -0.009694 8C 2pz -0.027736 0.169150 0.112028 -0.201462 -0.059630 0.101434 8C 2px -0.200337 -0.034102 0.153388 0.020306 0.163311 0.061497 8C 2py -0.179312 -0.097681 -0.067050 -0.015671 0.065535 -0.292213 8C 3pz 0.230097 1.099356 -0.446509 0.487674 0.150202 0.402626 8C 3px -0.579370 -0.213335 0.777419 0.596320 0.111588 -0.000298 8C 3py -0.680556 -0.874603 0.131788 0.300712 -0.334930 -0.264070 8C 1dz2 -0.001170 0.003199 0.001300 -0.005039 -0.000687 -0.001052 8C 1dxz 0.004445 -0.000119 -0.001049 -0.003794 0.001799 -0.002147 8C 1dyz 0.001965 0.003770 -0.000265 0.003275 0.001484 0.004348 8C 1dx2y2 0.000174 -0.002269 0.002992 -0.004290 0.002407 -0.000950 8C 1dxy 0.000527 0.002898 -0.001953 -0.001396 -0.002753 0.001941 8C 2dz2 0.059460 -0.160996 0.138160 -0.224570 -0.001542 -0.142085 8C 2dxz -0.306901 -0.059229 0.073445 -0.029198 0.063105 -0.016674 8C 2dyz -0.012867 0.019954 -0.042934 0.059712 0.053320 0.065327 8C 2dx2y2 -0.046978 0.230475 -0.098436 -0.171566 0.049538 -0.012246 8C 2dxy -0.097057 -0.137974 0.263449 0.171559 -0.043379 -0.057554 8C 1f0 0.006044 -0.001655 -0.004162 0.003202 -0.000904 -0.000055 8C 1f+1 -0.004199 0.002203 -0.002848 0.000125 0.001318 0.002431 8C 1f-1 -0.005089 -0.002197 0.005255 -0.001199 0.001198 0.000155 8C 1f+2 -0.002553 -0.002264 -0.000687 0.004682 0.005590 -0.013554 8C 1f-2 0.000192 0.000356 -0.005573 -0.001526 -0.002586 -0.007350 8C 1f+3 0.011376 -0.001719 0.003191 0.003377 -0.000371 0.002389 8C 1f-3 0.006826 -0.003918 0.004436 0.002833 -0.000501 -0.003038 9C 1s 0.001930 -0.001314 -0.001189 0.000319 0.000788 -0.001868 9C 2s 0.005164 -0.004642 -0.004800 0.001189 0.002313 -0.007625 9C 3s -0.002825 0.006195 0.080017 -0.013705 -0.009738 0.131973 9C 4s -0.008049 0.207582 -0.262671 0.077230 0.126752 -0.426193 9C 5s -1.920089 3.158509 0.428257 -1.017225 -1.598264 2.153869 9C 1pz -0.007569 -0.043224 -0.026787 0.016362 -0.001895 -0.042697 9C 1px 0.012001 -0.001777 -0.006824 0.012787 0.011978 0.016317 9C 1py 0.018804 -0.029585 -0.008827 -0.019102 0.005353 -0.041016 9C 2pz -0.094056 -0.222539 0.065917 0.074552 -0.005372 0.074745 9C 2px 0.077448 0.136219 0.106833 0.028928 0.078678 0.267733 9C 2py 0.245702 -0.114982 0.068310 -0.146291 0.026748 -0.065433 9C 3pz 0.007938 -1.230383 -0.370839 -0.086749 0.405847 -0.811947 9C 3px 0.182772 0.638644 0.768890 -0.190424 -0.182335 0.375765 9C 3py 0.793190 -0.312944 -0.263535 0.692195 0.010335 -0.270712 9C 1dz2 -0.001216 0.001827 -0.002329 0.004454 -0.002163 0.001029 9C 1dxz 0.002544 0.001843 0.000011 0.004263 0.002010 0.000964 9C 1dyz -0.000395 0.004039 0.000778 -0.003745 -0.000197 -0.001104 9C 1dx2y2 0.002216 0.004407 0.001024 0.004203 -0.001510 0.003129 9C 1dxy -0.001836 0.001282 0.003068 0.000413 0.001839 0.000766 9C 2dz2 0.028785 0.172403 0.066238 0.241379 -0.106695 0.173671 9C 2dxz -0.127432 -0.063953 -0.138350 -0.020347 0.081182 0.198354 9C 2dyz -0.095638 -0.088712 -0.042243 -0.124554 0.034701 -0.134490 9C 2dx2y2 -0.174349 -0.206293 -0.175190 0.137593 0.034178 -0.090366 9C 2dxy 0.218193 -0.043261 -0.219368 0.069437 0.015444 -0.012979 9C 1f0 0.011182 0.000079 -0.001687 -0.004767 0.000116 0.000987 9C 1f+1 -0.003343 0.001175 0.003133 0.001430 0.002738 0.003476 9C 1f-1 -0.002022 -0.006728 0.001938 0.000141 -0.000471 0.001200 9C 1f+2 -0.003396 0.004581 0.000200 -0.000603 -0.001150 -0.008537 9C 1f-2 0.005700 0.000813 0.006770 -0.001488 0.000608 0.000480 9C 1f+3 0.007015 0.003251 0.000580 -0.002564 0.000831 -0.006619 9C 1f-3 0.000319 -0.001431 -0.003495 0.000522 0.001049 0.003900 10H 1s -0.005155 0.023532 0.017616 0.001164 0.004270 0.001329 10H 2s -0.259716 0.307078 0.158646 -0.019380 -0.078737 0.315134 10H 3s -0.259193 0.239976 0.345865 -0.046001 -0.015090 0.141431 10H 1pz -0.013165 -0.010405 -0.013253 -0.007193 -0.015735 0.013500 10H 1px 0.011179 -0.022077 -0.011389 0.004910 -0.006601 -0.027320 10H 1py 0.012421 -0.013566 -0.013453 0.007867 -0.008815 0.007278 11H 1s -0.012620 0.006393 -0.001825 0.008494 -0.008406 0.001741 11H 2s -0.415050 -0.032748 -0.041493 -0.008078 -0.044529 -0.030202 11H 3s -0.351875 -0.172159 -0.163209 0.407647 -0.229943 -0.172124 11H 1pz -0.013867 -0.011826 -0.002713 -0.018959 0.006917 0.003514 11H 1px -0.012475 -0.005082 0.006804 0.000704 0.003161 -0.005960 11H 1py 0.025910 -0.001451 0.013982 -0.009792 0.000187 -0.000188 12H 1s 0.002672 0.002240 0.003687 -0.006605 -0.011398 0.004374 12H 2s 0.384843 -0.117787 0.061886 0.102173 -0.110029 0.026544 12H 3s 0.152630 -0.326625 0.081045 -0.162670 -0.312710 -0.051293 12H 1pz -0.026252 0.005101 -0.005750 0.017738 0.014119 -0.003026 12H 1px 0.013093 -0.014455 -0.000093 0.006001 0.004129 -0.002791 12H 1py 0.032499 -0.009526 0.006919 0.018101 0.004146 0.001440 13H 1s 0.012809 -0.022528 0.015850 0.009394 -0.003378 0.001125 13H 2s 0.324822 -0.226525 0.135446 0.137340 -0.209106 0.200473 13H 3s 0.121218 -0.140042 0.426747 0.134213 -0.131620 0.033091 13H 1pz 0.003816 0.002484 -0.011453 0.004094 -0.005081 0.014493 13H 1px -0.035576 0.018686 -0.017487 -0.002619 0.000425 -0.015485 13H 1py -0.003758 -0.021826 0.008617 0.004958 0.015905 0.001899 14H 1s -0.011116 -0.004235 -0.001556 -0.004136 -0.013941 0.002335 14H 2s -0.553831 -0.115161 -0.088117 0.048220 0.011743 0.114625 14H 3s -0.466557 0.090454 -0.012903 -0.242904 -0.233281 -0.065072 14H 1pz -0.013670 -0.011442 0.000668 0.013034 0.005968 0.006824 14H 1px -0.041241 -0.005212 -0.008411 -0.000743 0.015277 0.009254 14H 1py -0.019007 -0.006425 -0.001123 -0.014693 -0.011326 0.005313 15H 1s -0.000044 0.001919 -0.000528 0.011056 -0.010556 -0.001060 15H 2s 0.079087 0.134486 0.087550 -0.024694 -0.056258 -0.086904 15H 3s -0.134800 0.387553 -0.096207 0.383959 -0.253815 -0.235016 15H 1pz -0.010336 -0.011948 -0.001780 -0.009302 0.000835 0.005957 15H 1px -0.013629 -0.007928 0.014497 -0.001905 0.001929 -0.000026 15H 1py -0.012735 -0.011979 -0.008000 0.023593 -0.010326 -0.003130 16H 1s 0.002913 -0.011788 -0.001428 0.010244 0.027954 -0.020504 16H 2s 0.061701 0.026875 -0.019473 0.123942 0.429637 -0.600131 16H 3s -0.018765 -0.066598 0.090431 -0.038367 0.098396 0.043600 16H 1pz 0.008108 0.002266 0.001035 -0.001020 -0.002755 -0.010078 16H 1px 0.002678 -0.011626 0.000802 0.010202 -0.000151 -0.010755 16H 1py -0.001139 0.010082 -0.001365 0.005712 0.039849 -0.045111 17H 1s 0.009198 0.014782 0.001235 0.004947 0.028696 -0.014263 17H 2s -0.032139 0.167099 0.098373 0.142212 0.434542 -0.553952 17H 3s -0.239775 0.038243 0.090601 -0.062531 0.035777 0.185232 17H 1pz 0.003072 -0.007949 0.008188 0.001005 0.007111 -0.003877 17H 1px 0.016438 0.012196 -0.011505 -0.002790 0.003811 0.001701 17H 1py 0.003206 0.014400 0.006004 0.006195 0.040033 -0.047361 18H 1s -0.009331 0.014877 0.002694 0.002893 -0.028574 -0.015585 18H 2s 0.030583 0.169690 0.125115 0.113382 -0.418386 -0.592379 18H 3s 0.245455 0.028048 0.089136 -0.063724 -0.020203 0.118688 18H 1pz 0.003092 0.007837 -0.008083 -0.000546 0.005817 0.001431 18H 1px 0.016318 -0.011787 0.011961 0.003227 0.003919 -0.001519 18H 1py 0.003505 -0.014722 -0.008322 -0.003677 0.038386 0.045131 19H 1s -0.003006 -0.010991 0.000306 0.008247 -0.028154 -0.026726 19H 2s -0.061782 0.033373 0.006859 0.091603 -0.417147 -0.627158 19H 3s 0.017635 -0.070095 0.088035 -0.050567 -0.094156 0.059633 19H 1pz 0.007902 -0.001506 -0.000546 0.000785 -0.004424 0.005510 19H 1px 0.003054 0.011230 -0.000433 -0.010153 0.000337 0.017288 19H 1py -0.001050 -0.011418 -0.001349 -0.002799 0.038744 0.044458 20H 1s -0.000256 0.001629 -0.000936 0.011972 0.009814 0.002954 20H 2s -0.090555 0.131157 0.086493 -0.025146 0.052060 0.031106 20H 3s 0.123845 0.386288 -0.100963 0.406715 0.212465 0.033453 20H 1pz -0.011399 0.011806 0.001711 0.009463 -0.000103 0.005429 20H 1px -0.013522 0.007122 -0.014727 0.002341 0.002085 0.005143 20H 1py -0.013385 0.011890 0.008344 -0.025018 -0.008710 0.002269 21H 1s 0.011365 -0.004589 -0.002183 -0.003544 0.014274 -0.004676 21H 2s 0.562641 -0.098770 -0.076447 0.050527 -0.031300 0.076732 21H 3s 0.474789 0.096804 -0.019381 -0.232457 0.249966 -0.038720 21H 1pz -0.014503 0.010509 -0.001154 -0.013110 0.007693 -0.011201 21H 1px -0.041669 0.003497 0.006806 0.001366 0.016438 -0.010021 21H 1py -0.019565 0.006443 0.001755 0.014310 -0.012329 0.007581 22H 1s -0.012700 -0.022928 0.015742 0.009485 0.003469 -0.007002 22H 2s -0.321494 -0.246353 0.119294 0.148992 0.210772 0.103336 22H 3s -0.119735 -0.143854 0.421572 0.140640 0.145363 0.007163 22H 1pz 0.003123 -0.002075 0.011918 -0.004793 -0.004642 -0.019531 22H 1px -0.035504 -0.020063 0.016800 0.002390 0.001535 0.005116 22H 1py -0.004317 0.021364 -0.009769 -0.003949 0.015805 0.006942 23H 1s -0.002690 0.001979 0.003257 -0.005816 0.012082 0.004826 23H 2s -0.381322 -0.122508 0.050031 0.106084 0.104786 0.056376 23H 3s -0.148808 -0.331134 0.066030 -0.157487 0.333247 -0.219800 23H 1pz -0.026131 -0.006167 0.004578 -0.016526 0.015197 0.002134 23H 1px 0.011804 0.014108 0.000032 -0.005511 0.004402 0.008489 23H 1py 0.032705 0.010051 -0.006235 -0.017705 0.005401 -0.009033 24H 1s 0.012798 0.006958 -0.002013 0.009023 0.008079 0.009096 24H 2s 0.422107 -0.019844 -0.035362 -0.010302 0.041421 -0.227009 24H 3s 0.357083 -0.157752 -0.166350 0.407397 0.194614 -0.119751 24H 1pz -0.014188 0.011597 0.001937 0.019751 0.006025 0.022313 24H 1px -0.013382 0.004757 -0.006578 -0.000333 0.003119 0.016233 24H 1py 0.026327 0.002459 -0.013507 0.009832 -0.001290 -0.002018 25H 1s 0.004349 0.023938 0.018207 0.001383 -0.002641 0.010393 25H 2s 0.243361 0.311042 0.165107 -0.011188 0.094004 0.506200 25H 3s 0.244890 0.244839 0.352009 -0.045311 0.050424 0.134082 25H 1pz -0.013450 0.010500 0.013881 0.006720 -0.014695 -0.009268 25H 1px 0.009741 0.022072 0.012240 -0.004654 -0.005443 0.039020 25H 1py 0.012287 0.014028 0.014171 -0.008053 -0.007072 -0.008444 26O 1s -0.003178 0.000958 0.000247 0.001656 0.009523 -0.010006 26O 2s -0.006796 0.003713 0.000953 0.003771 0.021864 -0.022523 26O 3s -0.003372 -0.030520 -0.005364 -0.001188 -0.009904 0.015155 26O 4s 0.135228 0.180536 0.179957 -0.049874 -0.210378 0.376382 26O 5s -0.496971 -1.899776 -2.233015 0.133747 -0.614545 -2.077636 26O 1pz -0.013774 -0.055347 -0.044000 0.040738 -0.005858 0.018162 26O 1px -0.018560 0.003039 -0.043085 0.034762 -0.032728 0.001257 26O 1py 0.014878 -0.068389 0.023229 -0.026152 -0.019572 -0.015439 26O 2pz -0.018600 -0.131403 -0.145744 0.052395 0.026050 0.077813 26O 2px -0.010664 0.028347 -0.022124 0.047402 -0.053750 0.149698 26O 2py 0.106942 -0.146586 0.053177 -0.045799 -0.032605 0.041708 26O 3pz -0.176394 0.736524 0.888414 0.068365 0.018035 -0.325166 26O 3px 0.299038 0.480178 1.473133 0.016155 1.073970 0.971049 26O 3py -0.035886 0.609794 0.728077 0.009408 0.444588 0.409057 26O 1dz2 -0.004034 -0.003086 -0.004820 -0.000226 -0.004646 -0.001147 26O 1dxz -0.003059 0.005057 0.005432 0.002180 0.000958 -0.002535 26O 1dyz 0.001369 -0.000255 0.000878 0.000653 0.000180 0.000295 26O 1dx2y2 -0.002907 -0.001042 0.008293 0.004450 0.007151 0.003336 26O 1dxy 0.004668 0.000945 0.006401 -0.000719 0.005027 0.003008 26O 2dz2 -0.025664 -0.002844 -0.010079 -0.028851 0.025075 0.046805 26O 2dxz -0.016329 -0.016209 -0.012928 0.007125 -0.006978 -0.030320 26O 2dyz 0.026995 -0.035017 -0.026036 0.010942 -0.002262 0.004511 26O 2dx2y2 -0.027777 -0.003481 -0.037549 0.000797 -0.009795 -0.036987 26O 2dxy -0.015838 -0.019060 -0.048210 -0.006382 -0.020057 -0.052837 26O 1f0 0.000528 -0.001031 -0.000538 0.000057 0.000237 -0.000109 26O 1f+1 0.000729 0.000284 -0.002498 0.001835 0.000378 -0.005793 26O 1f-1 -0.000464 0.002266 0.000817 0.000557 0.000915 -0.001234 26O 1f+2 0.000492 -0.000116 -0.001141 0.000703 -0.000558 0.000444 26O 1f-2 -0.000137 0.001657 0.001080 -0.000539 0.000152 -0.000594 26O 1f+3 0.001485 0.000198 -0.002273 -0.001096 -0.000538 -0.003217 26O 1f-3 -0.001487 -0.000736 -0.002025 0.000964 0.000267 -0.006426 27O 1s -0.001834 0.000691 0.000967 0.004568 0.008416 -0.003454 27O 2s -0.002684 0.000028 0.002343 0.010682 0.018845 -0.008564 27O 3s -0.023105 0.024804 -0.002813 -0.011647 0.002298 0.024581 27O 4s 0.226536 -0.268076 0.142466 -0.075360 -0.266738 0.129743 27O 5s -1.404382 2.677138 -1.987165 -0.286966 -0.042393 -1.663301 27O 1pz -0.017318 0.008380 0.002528 -0.074135 0.026213 -0.001536 27O 1px -0.021531 0.000521 -0.030373 -0.022504 -0.023348 -0.020089 27O 1py 0.001405 -0.071977 0.028315 -0.007239 0.003360 -0.009063 27O 2pz -0.065450 0.025200 -0.045437 -0.151465 0.086746 0.008130 27O 2px 0.015918 -0.069446 -0.010790 -0.063288 -0.027852 0.080938 27O 2py -0.063271 -0.146160 0.110593 0.029634 -0.045270 -0.061688 27O 3pz -0.079574 -0.034256 0.276528 0.358982 -0.447148 -0.200547 27O 3px 0.558404 -1.124862 1.496504 0.223069 0.898385 1.260608 27O 3py -0.014128 0.751545 -1.066006 -0.546055 0.168122 0.122118 27O 1dz2 -0.003862 0.002556 -0.005542 -0.000119 -0.003365 -0.002941 27O 1dxz -0.004556 0.001280 0.000274 -0.000736 -0.003564 -0.001334 27O 1dyz 0.002475 -0.002303 0.000806 0.001838 -0.000912 -0.001968 27O 1dx2y2 0.000041 -0.003204 0.008691 0.000124 0.006765 0.004978 27O 1dxy -0.005146 0.004973 -0.006582 -0.004752 0.000550 0.001105 27O 2dz2 -0.027603 -0.051653 0.019686 0.012659 0.009900 0.054083 27O 2dxz -0.009981 0.007479 0.006854 -0.005081 -0.003460 0.000103 27O 2dyz 0.020306 -0.017288 0.032461 0.006730 -0.020394 -0.009716 27O 2dx2y2 -0.038574 0.015682 -0.030241 0.018250 -0.027697 -0.062178 27O 2dxy 0.016164 -0.041437 0.032732 -0.003400 0.011895 0.041257 27O 1f0 0.000522 0.000117 -0.000310 -0.000199 0.000465 0.001702 27O 1f+1 0.000487 0.002161 -0.001882 -0.000684 -0.000294 -0.005062 27O 1f-1 -0.000242 0.000107 -0.000082 0.000445 -0.000058 -0.000023 27O 1f+2 -0.001439 0.002792 -0.002185 -0.000874 -0.000545 -0.002651 27O 1f-2 -0.000185 0.000822 -0.001286 -0.000023 0.000118 0.000843 27O 1f+3 0.000053 0.001648 -0.002367 0.002562 -0.000817 -0.006836 27O 1f-3 0.002577 -0.001860 0.001409 0.000313 -0.000619 0.001534 28O 1s 0.001361 -0.002913 -0.002518 0.002066 -0.009281 -0.005802 28O 2s 0.003052 -0.005971 -0.006277 0.004625 -0.021288 -0.012885 28O 3s -0.002591 -0.006099 0.017214 -0.002930 0.008370 0.009000 28O 4s -0.034862 0.058542 0.000076 -0.096610 0.234994 0.295609 28O 5s 0.042284 -0.282822 -0.201535 0.720184 0.319197 -2.248835 28O 1pz 0.016209 -0.051365 -0.040562 0.033516 0.011828 -0.008126 28O 1px 0.000741 0.022935 0.076058 0.033177 -0.010726 0.000484 28O 1py -0.011012 -0.014444 0.021136 -0.067711 -0.009312 -0.018468 28O 2pz 0.003476 -0.016077 0.026983 0.044652 -0.006908 0.091399 28O 2px 0.037067 0.043895 0.120735 0.090681 -0.028522 -0.107418 28O 2py -0.080412 0.040667 0.093900 -0.131896 -0.044901 -0.026044 28O 3pz 0.134726 -0.394018 -0.124611 -0.379825 -0.394301 0.652167 28O 3px 0.111168 -0.175910 -0.753291 0.226034 0.640103 -1.082477 28O 3py 0.160871 -0.377036 -0.508861 0.232540 0.169292 0.195881 28O 1dz2 0.006420 -0.002437 -0.003831 -0.002314 0.000258 -0.000306 28O 1dxz -0.000410 0.003597 -0.000848 0.001445 0.004532 -0.004735 28O 1dyz -0.004299 -0.002601 -0.000301 0.001554 0.001401 0.001122 28O 1dx2y2 -0.000375 -0.001614 0.001957 -0.002375 -0.004089 0.005065 28O 1dxy 0.003045 0.000908 0.001652 -0.001318 -0.001653 0.000679 28O 2dz2 0.016141 -0.017479 0.002705 0.014108 0.003932 -0.015678 28O 2dxz -0.003971 0.008954 0.048972 -0.019347 -0.021716 0.076817 28O 2dyz -0.023790 0.005825 0.009282 0.006398 -0.008538 -0.005808 28O 2dx2y2 0.026108 -0.019643 -0.015501 0.010940 0.007518 -0.034080 28O 2dxy -0.013336 0.017090 0.003502 0.003107 -0.010679 0.022630 28O 1f0 0.000414 0.000886 -0.001682 0.002952 0.000955 -0.003724 28O 1f+1 -0.001766 0.000152 -0.000386 0.001153 -0.000228 -0.001904 28O 1f-1 -0.000376 -0.000286 -0.000653 -0.000186 -0.000836 0.001014 28O 1f+2 -0.001656 -0.000635 0.001697 -0.000763 -0.000203 0.006206 28O 1f-2 0.001107 0.000423 0.000412 -0.000210 -0.000949 0.000907 28O 1f+3 -0.001352 -0.000260 0.000816 -0.000142 -0.000735 0.004568 28O 1f-3 0.002360 -0.000323 -0.000244 -0.001393 -0.000681 -0.000580 29O 1s 0.001223 -0.005565 -0.003292 -0.003790 -0.008082 0.017242 29O 2s 0.002809 -0.011300 -0.009436 -0.007726 -0.019843 0.033169 29O 3s 0.000029 -0.018733 0.036386 -0.013069 0.033793 0.091909 29O 4s -0.061664 0.303845 -0.055325 0.218390 0.174091 -1.180728 29O 5s 0.249184 -0.616292 0.236745 -0.462615 -0.259326 2.765498 29O 1pz -0.012578 0.015809 0.020027 0.009936 0.031740 -0.006893 29O 1px -0.023977 -0.011898 -0.054670 -0.029109 -0.113482 0.047644 29O 1py 0.018652 -0.000126 -0.021704 -0.003247 -0.033203 0.004891 29O 2pz -0.015545 0.056052 0.036629 0.026093 0.059247 -0.061067 29O 2px -0.064204 -0.052442 -0.073706 -0.073675 -0.218233 0.227105 29O 2py 0.037405 0.021669 -0.043643 0.003353 -0.067414 -0.042748 29O 3pz 0.129263 -0.252565 -0.208822 -0.089935 0.049213 0.097509 29O 3px 0.166801 0.124756 -0.040208 0.149367 0.051255 -0.671440 29O 3py -0.111538 -0.029800 0.172358 0.126464 0.482453 -0.381896 29O 1dz2 0.000543 -0.000105 0.000532 0.001273 0.004836 -0.005835 29O 1dxz -0.000955 0.001345 -0.000120 0.000223 0.003578 -0.001868 29O 1dyz 0.001092 -0.001505 -0.001540 -0.000368 0.000356 -0.000929 29O 1dx2y2 -0.000390 0.001136 -0.001248 -0.000169 -0.001933 -0.001646 29O 1dxy 0.001359 -0.002106 0.000311 0.000142 -0.002491 0.003196 29O 2dz2 -0.005731 -0.007185 0.010933 0.007174 0.015481 -0.003767 29O 2dxz 0.007418 0.005438 0.002775 -0.007463 -0.004526 0.016353 29O 2dyz -0.002115 0.001339 0.001848 0.002207 -0.011647 0.006103 29O 2dx2y2 0.025935 0.018855 -0.001935 0.009570 0.045424 -0.051997 29O 2dxy -0.008240 0.000603 -0.001749 -0.010417 0.018656 -0.007395 29O 1f0 0.000272 0.001091 0.000757 0.000340 0.001211 -0.002583 29O 1f+1 0.000321 0.000004 -0.000320 -0.000367 -0.000837 0.001553 29O 1f-1 -0.000078 0.000624 -0.000140 -0.000258 -0.000250 -0.001498 29O 1f+2 -0.000564 -0.001162 -0.000815 0.000138 -0.000615 0.001011 29O 1f-2 -0.000646 -0.000291 -0.000517 -0.000089 0.000373 -0.001591 29O 1f+3 0.001188 0.000414 -0.000713 0.000095 0.000289 -0.000239 29O 1f-3 0.000439 0.000879 -0.000521 -0.000708 0.000141 -0.000003 30O 1s -0.003366 0.006070 -0.002504 -0.002280 -0.010920 -0.011124 30O 2s -0.008557 0.013330 -0.006422 -0.005420 -0.024736 -0.025887 30O 3s 0.020133 -0.000775 0.020623 0.009303 0.002871 0.030207 30O 4s 0.037296 -0.165932 -0.022573 -0.022269 0.315735 0.383126 30O 5s -0.358589 0.792281 0.106521 0.367712 0.255757 -2.284202 30O 1pz 0.017145 0.047493 0.024855 -0.046738 0.036211 -0.002906 30O 1px 0.017636 -0.018522 0.083122 0.002732 -0.039691 0.011657 30O 1py 0.043857 -0.044842 0.027319 -0.054260 -0.014006 0.004953 30O 2pz 0.087314 0.029673 0.125433 -0.056061 0.011479 0.068881 30O 2px 0.005696 -0.030816 0.165648 0.014701 -0.087584 -0.102216 30O 2py 0.112281 0.030203 -0.029187 -0.138066 0.041722 -0.094893 30O 3pz 0.096096 0.114005 -0.264350 -0.084678 -0.375613 0.634170 30O 3px -0.153007 0.412495 -0.878572 -0.016284 0.972231 -1.109954 30O 3py -0.399813 -0.457657 0.325753 0.579653 0.153561 -0.549972 30O 1dz2 0.006347 -0.002891 -0.003417 0.001413 0.001953 -0.003226 30O 1dxz -0.002473 -0.003271 -0.001779 0.000556 0.005460 -0.003474 30O 1dyz -0.003521 -0.003729 0.001198 0.001029 0.003169 -0.003576 30O 1dx2y2 0.001474 -0.001812 0.003583 0.002366 -0.003600 0.002627 30O 1dxy -0.000481 0.004051 -0.000152 -0.001741 -0.004163 0.003464 30O 2dz2 0.029263 0.007501 0.011307 0.000305 -0.008044 0.001229 30O 2dxz 0.025909 -0.019618 0.038448 0.013493 -0.025912 0.056160 30O 2dyz 0.010560 -0.015929 -0.001336 -0.009727 -0.005944 0.050579 30O 2dx2y2 0.023046 0.000843 -0.007722 0.000533 -0.005854 -0.007513 30O 2dxy 0.000972 0.045863 -0.029205 0.006389 0.027158 -0.068195 30O 1f0 -0.000260 0.001303 0.000325 0.000323 0.000245 -0.004802 30O 1f+1 -0.001802 0.001098 0.000303 -0.000873 -0.000425 -0.000394 30O 1f-1 -0.000359 0.000074 0.000353 0.001814 -0.000339 0.000577 30O 1f+2 0.001267 -0.000614 0.001636 0.001035 -0.000645 0.003980 30O 1f-2 0.001551 -0.001302 0.000823 -0.000263 0.000224 0.006172 30O 1f+3 0.000282 0.000472 0.000217 -0.000425 -0.000526 -0.000244 30O 1f-3 -0.001083 -0.001685 0.001985 -0.001915 -0.000328 0.006505 31O 1s 0.003334 0.006025 -0.003196 -0.001441 0.011096 -0.008894 31O 2s 0.008497 0.013263 -0.007983 -0.003530 0.025093 -0.019986 31O 3s -0.020366 -0.001474 0.020716 0.009225 -0.002146 0.011992 31O 4s -0.034976 -0.163385 -0.002476 -0.047040 -0.320421 0.384282 31O 5s 0.347018 0.834112 0.128375 0.345866 -0.291201 -2.119173 31O 1pz 0.019112 -0.047796 -0.026444 0.049977 0.033099 0.001924 31O 1px 0.018090 0.020700 -0.080147 -0.005212 -0.043256 0.021774 31O 1py 0.044140 0.046912 -0.025738 0.053582 -0.021075 0.032136 31O 2pz 0.091891 -0.027721 -0.124957 0.058358 0.005866 -0.048411 31O 2px 0.006931 0.034059 -0.159237 -0.020131 -0.092478 0.157300 31O 2py 0.114256 -0.028035 0.028343 0.139842 0.028359 0.113494 31O 3pz 0.087279 -0.095817 0.295484 0.058346 -0.408002 -0.589921 31O 3px -0.155475 -0.452158 0.813183 0.081802 1.009426 0.661708 31O 3py -0.408254 0.436402 -0.340847 -0.551967 0.217159 0.579201 31O 1dz2 -0.006267 -0.002939 -0.003418 0.001281 -0.002148 -0.001300 31O 1dxz 0.002535 -0.003070 -0.001327 0.000224 -0.005847 -0.003318 31O 1dyz 0.003533 -0.003693 0.001439 0.000795 -0.003339 -0.004315 31O 1dx2y2 -0.001475 -0.001968 0.003293 0.002605 0.003512 0.002549 31O 1dxy 0.000430 0.003912 -0.000419 -0.001351 0.004501 0.003297 31O 2dz2 -0.029531 0.006359 0.010484 0.000752 0.008912 -0.005350 31O 2dxz -0.026222 -0.021109 0.036804 0.015256 0.026899 0.040242 31O 2dyz -0.010202 -0.017382 -0.001891 -0.009013 0.007767 0.028435 31O 2dx2y2 -0.023195 0.000548 -0.008215 0.001042 0.005263 -0.005687 31O 2dxy -0.001427 0.046831 -0.027595 0.004827 -0.028611 -0.050080 31O 1f0 -0.000236 -0.001358 -0.000331 -0.000285 0.000244 0.004705 31O 1f+1 -0.001805 -0.001100 -0.000297 0.000868 -0.000496 0.001397 31O 1f-1 -0.000353 -0.000093 -0.000355 -0.001855 -0.000194 -0.000703 31O 1f+2 0.001274 0.000655 -0.001597 -0.001072 -0.000596 -0.003255 31O 1f-2 0.001542 0.001366 -0.000842 0.000274 0.000196 -0.004827 31O 1f+3 0.000290 -0.000431 -0.000159 0.000378 -0.000576 -0.000533 31O 1f-3 -0.001107 0.001706 -0.002000 0.001932 -0.000494 -0.004697 32O 1s -0.001090 -0.005648 -0.003832 -0.003191 0.007324 0.018314 32O 2s -0.002528 -0.011498 -0.010754 -0.006258 0.018054 0.035772 32O 3s 0.000252 -0.018451 0.038540 -0.015490 -0.032007 0.089136 32O 4s 0.055841 0.305357 -0.043511 0.205005 -0.152798 -1.209217 32O 5s -0.241415 -0.613044 0.220560 -0.440054 0.220640 2.819401 32O 1pz -0.013054 -0.016219 -0.022735 -0.007648 0.029359 0.017107 32O 1px -0.025165 0.014470 0.062390 0.021018 -0.108297 -0.059023 32O 1py 0.018404 0.000216 0.023582 0.001137 -0.031339 0.001171 32O 2pz -0.016795 -0.056147 -0.042263 -0.022564 0.053948 0.075223 32O 2px -0.067338 0.059045 0.089769 0.058761 -0.208132 -0.236115 32O 2py 0.037534 -0.022881 0.046856 -0.008223 -0.065211 0.037991 32O 3pz 0.131728 0.249274 0.215570 0.104028 0.053981 -0.141651 32O 3px 0.175189 -0.139808 0.027701 -0.144517 0.038275 0.630819 32O 3py -0.109947 0.036626 -0.196382 -0.089474 0.467677 0.486461 32O 1dz2 -0.000506 0.000049 0.000893 0.000952 -0.004733 -0.005902 32O 1dxz 0.001003 0.001380 0.000101 -0.000042 -0.003479 -0.002342 32O 1dyz -0.001107 -0.001445 -0.001547 -0.000394 -0.000550 -0.000674 32O 1dx2y2 0.000420 0.001182 -0.001333 -0.000017 0.001919 -0.001231 32O 1dxy -0.001347 -0.002045 0.000201 0.000283 0.002312 0.002405 32O 2dz2 0.005585 -0.006566 0.011614 0.005774 -0.015356 -0.012384 32O 2dxz -0.007498 0.005086 0.001593 -0.007670 0.005118 0.020064 32O 2dyz 0.001727 0.001463 0.001645 0.003452 0.009557 0.005431 32O 2dx2y2 -0.026403 0.020081 0.000969 0.006584 -0.044522 -0.049004 32O 2dxy 0.008197 0.000928 -0.000427 -0.011687 -0.018393 -0.003824 32O 1f0 0.000274 -0.001085 -0.000854 -0.000258 0.001082 0.002252 32O 1f+1 0.000325 0.000060 0.000375 0.000307 -0.000780 -0.001800 32O 1f-1 -0.000135 -0.000613 0.000175 0.000234 -0.000286 0.001270 32O 1f+2 -0.000551 0.001160 0.000839 -0.000170 -0.000453 -0.000645 32O 1f-2 -0.000670 0.000298 0.000457 0.000109 0.000311 0.001270 32O 1f+3 0.001156 -0.000394 0.000731 -0.000084 0.000385 0.000166 32O 1f-3 0.000474 -0.000922 0.000520 0.000699 0.000152 -0.000582 33O 1s -0.001252 -0.002987 -0.003152 0.002765 0.008943 -0.005739 33O 2s -0.002779 -0.006171 -0.007749 0.006152 0.020475 -0.013811 33O 3s 0.001928 -0.005442 0.018178 -0.002159 -0.006961 0.030191 33O 4s 0.036770 0.057334 0.015322 -0.120568 -0.231315 0.203390 33O 5s -0.061086 -0.273041 -0.198211 0.694850 -0.332295 -2.462503 33O 1pz 0.015715 0.051391 0.040608 -0.030771 0.017349 0.029029 33O 1px 0.002180 -0.023684 -0.075508 -0.036164 -0.015359 -0.051398 33O 1py -0.011369 0.015400 -0.020622 0.067266 -0.015284 0.038030 33O 2pz 0.004918 0.017134 -0.025439 -0.042718 -0.003722 -0.105463 33O 2px 0.039580 -0.044262 -0.117424 -0.097114 -0.035689 0.026671 33O 2py -0.079653 -0.040213 -0.092127 0.128192 -0.059387 0.031550 33O 3pz 0.121666 0.393817 0.138790 0.339552 -0.394047 -0.755664 33O 3px 0.106509 0.167647 0.716576 -0.149286 0.695969 1.654672 33O 3py 0.151061 0.382554 0.501567 -0.218647 0.206832 -0.005134 33O 1dz2 -0.006326 -0.002537 -0.003856 -0.002428 -0.000403 -0.000553 33O 1dxz 0.000373 0.003673 -0.000562 0.001086 -0.004579 -0.006440 33O 1dyz 0.004326 -0.002560 -0.000216 0.001454 -0.001537 0.000913 33O 1dx2y2 0.000400 -0.001725 0.001677 -0.002043 0.004406 0.005431 33O 1dxy -0.003107 0.000894 0.001547 -0.001245 0.001732 0.001187 33O 2dz2 -0.015996 -0.017949 0.002382 0.012988 -0.003932 -0.025358 33O 2dxz 0.003573 0.008850 0.048171 -0.016443 0.024659 0.104371 33O 2dyz 0.023012 0.005756 0.008671 0.005937 0.008969 -0.027450 33O 2dx2y2 -0.025562 -0.020011 -0.015749 0.009406 -0.008955 -0.046300 33O 2dxy 0.013003 0.017152 0.003014 0.003755 0.010449 0.027134 33O 1f0 0.000432 -0.000889 0.001659 -0.002857 0.001200 0.003586 33O 1f+1 -0.001779 -0.000188 0.000409 -0.001164 -0.000195 0.002205 33O 1f-1 -0.000411 0.000287 0.000687 0.000153 -0.000793 -0.000072 33O 1f+2 -0.001641 0.000581 -0.001755 0.000677 -0.000206 -0.007835 33O 1f-2 0.001120 -0.000388 -0.000345 0.000183 -0.000942 0.000096 33O 1f+3 -0.001356 0.000232 -0.000819 0.000053 -0.000705 -0.005109 33O 1f-3 0.002366 0.000382 0.000305 0.001337 -0.000746 0.000907 34O 1s 0.001774 0.000855 0.001606 0.003850 -0.008679 -0.005059 34O 2s 0.002551 0.000426 0.003763 0.009080 -0.019459 -0.011786 34O 3s 0.023180 0.024278 -0.002541 -0.011785 -0.001486 0.020226 34O 4s -0.224374 -0.271828 0.120698 -0.052581 0.275403 0.164731 34O 5s 1.386432 2.704774 -1.967544 -0.293577 -0.018812 -1.145309 34O 1pz -0.018052 -0.008639 -0.003634 0.075965 0.021702 0.007945 34O 1px -0.022075 -0.001605 0.031802 0.020940 -0.021428 -0.004700 34O 1py 0.000948 0.071668 -0.028278 0.007705 0.002268 0.035705 34O 2pz -0.067225 -0.026496 0.040260 0.155768 0.080620 -0.010555 34O 2px 0.014049 0.067516 0.013451 0.059367 -0.028293 -0.144138 34O 2py -0.063931 0.144028 -0.108694 -0.031841 -0.044408 0.128611 34O 3pz -0.074630 0.034966 -0.251968 -0.371273 -0.448418 0.412788 34O 3px 0.551743 1.133593 -1.545205 -0.159447 0.839510 -0.729331 34O 3py -0.012883 -0.743394 1.059753 0.559322 0.164098 -0.387887 34O 1dz2 0.003876 0.002511 -0.005692 0.000179 0.003084 -0.002447 34O 1dxz 0.004533 0.001270 0.000114 -0.000573 0.003771 -0.003114 34O 1dyz -0.002482 -0.002370 0.000724 0.001868 0.000856 -0.003215 34O 1dx2y2 -0.000015 -0.003039 0.009162 -0.000333 -0.006255 0.002918 34O 1dxy 0.005146 0.004960 -0.006480 -0.004868 -0.000450 0.000550 34O 2dz2 0.028772 -0.051484 0.020824 0.012521 -0.011131 0.035510 34O 2dxz 0.010091 0.007723 0.006912 -0.004820 0.004204 -0.003642 34O 2dyz -0.020625 -0.018761 0.030816 0.007672 0.022091 -0.026765 34O 2dx2y2 0.038759 0.016704 -0.031234 0.020013 0.024337 -0.058276 34O 2dxy -0.015938 -0.042360 0.033130 -0.004267 -0.010037 0.025932 34O 1f0 0.000500 -0.000087 0.000299 0.000229 0.000531 -0.001842 34O 1f+1 0.000523 -0.002171 0.001917 0.000706 -0.000311 0.004678 34O 1f-1 -0.000240 -0.000093 0.000086 -0.000479 -0.000011 -0.000206 34O 1f+2 -0.001417 -0.002779 0.002219 0.000812 -0.000595 0.001666 34O 1f-2 -0.000193 -0.000828 0.001285 -0.000001 0.000187 -0.001869 34O 1f+3 0.000071 -0.001697 0.002404 -0.002614 -0.000587 0.006274 34O 1f-3 0.002558 0.001940 -0.001294 -0.000359 -0.000633 -0.001421 35O 1s 0.003072 0.001130 0.000953 0.000896 -0.009224 -0.011941 35O 2s 0.006502 0.004102 0.002540 0.002026 -0.021135 -0.026532 35O 3s 0.004554 -0.030636 -0.005531 -0.000450 0.008626 0.007792 35O 4s -0.140135 0.176229 0.160395 -0.029264 0.217548 0.521471 35O 5s 0.541564 -1.903848 -2.254777 0.119520 0.470031 -3.119022 35O 1pz -0.014793 0.055215 0.043760 -0.040046 -0.000801 -0.008214 35O 1px -0.018133 -0.002767 0.045509 -0.035052 -0.026895 0.011447 35O 1py 0.014541 0.068964 -0.021803 0.025872 -0.021589 0.036548 35O 2pz -0.022724 0.131162 0.142225 -0.048571 0.038306 -0.037842 35O 2px -0.010608 -0.027173 0.027016 -0.048642 -0.046030 -0.134224 35O 2py 0.105770 0.146704 -0.050345 0.045526 -0.032859 -0.019273 35O 3pz -0.151901 -0.744099 -0.881919 -0.079093 -0.043258 -0.023045 35O 3px 0.313051 -0.497808 -1.538423 0.021635 0.977080 -1.362877 35O 3py -0.027967 -0.604644 -0.754516 0.003699 0.376025 -0.525330 35O 1dz2 0.004137 -0.003121 -0.005056 0.000018 0.004162 -0.003074 35O 1dxz 0.002892 0.005121 0.005435 0.002225 -0.000722 0.000302 35O 1dyz -0.001405 -0.000256 0.000840 0.000589 -0.000158 -0.000025 35O 1dx2y2 0.002834 -0.000861 0.008726 0.004074 -0.006918 0.003429 35O 1dxy -0.004690 0.000886 0.006650 -0.001037 -0.004348 0.002368 35O 2dz2 0.026990 -0.002243 -0.007837 -0.030213 -0.023659 0.030308 35O 2dxz 0.016660 -0.016051 -0.013097 0.007452 0.006787 -0.032654 35O 2dyz -0.026400 -0.035231 -0.026728 0.009851 -0.001976 -0.013041 35O 2dx2y2 0.028164 -0.003651 -0.037866 0.000530 0.008381 -0.049976 35O 2dxy 0.016184 -0.019529 -0.049582 -0.006322 0.018813 -0.072076 35O 1f0 0.000499 0.001019 0.000515 -0.000009 0.000211 0.000118 35O 1f+1 0.000749 -0.000271 0.002497 -0.001768 0.000503 0.005375 35O 1f-1 -0.000400 -0.002285 -0.000855 -0.000511 0.000842 0.000523 35O 1f+2 0.000484 0.000141 0.001196 -0.000725 -0.000373 -0.000343 35O 1f-2 -0.000103 -0.001649 -0.001072 0.000493 0.000051 -0.000307 35O 1f+3 0.001450 -0.000159 0.002325 0.001113 -0.000581 0.003345 35O 1f-3 -0.001467 0.000737 0.002006 -0.000881 0.000332 0.007596 240 241 242 243 244 245 0.76814 0.77497 0.78240 0.78366 0.79561 0.81137 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s 0.000827 -0.000583 0.000049 0.003615 -0.000075 -0.003631 0Rh 2s -0.004109 0.000032 -0.000221 -0.007454 0.001133 0.006292 0Rh 3s 0.002290 -0.003385 0.000147 0.016501 0.000260 -0.017311 0Rh 4s 0.019148 0.000821 0.001029 0.031007 -0.005523 -0.025213 0Rh 5s -0.025449 -0.020684 -0.001287 0.032729 0.012286 -0.048986 0Rh 6s 0.000293 0.085750 -0.000935 -0.310419 -0.021019 0.343254 0Rh 7s 0.092072 -0.439062 -0.026727 1.432693 0.112377 -1.388902 0Rh 8s 0.130710 -0.992783 0.305632 0.335051 0.077029 0.367785 0Rh 1pz 0.002005 -0.004069 0.009557 0.002761 0.007891 -0.006407 0Rh 1px -0.001165 0.010558 0.001222 -0.008691 -0.001783 0.017661 0Rh 1py 0.004085 0.008127 -0.002639 0.000981 0.007188 -0.001006 0Rh 2pz -0.006797 0.013960 -0.032806 -0.009509 -0.027219 0.021451 0Rh 2px 0.004178 -0.035741 -0.004300 0.029239 0.005910 -0.059786 0Rh 2py -0.013927 -0.028054 0.009087 -0.003315 -0.025239 0.003639 0Rh 3pz 0.003308 -0.009778 0.023097 0.007268 0.021660 -0.004163 0Rh 3px -0.006915 0.015388 0.005051 -0.008583 0.000118 0.024724 0Rh 3py 0.007864 0.023009 -0.007006 0.001369 0.028927 -0.006307 0Rh 4pz 0.020298 -0.032434 0.076421 0.021189 0.054498 -0.093207 0Rh 4px 0.009473 0.120815 0.002767 -0.117551 -0.031042 0.211978 0Rh 4py 0.040270 0.052136 -0.018554 0.010751 0.015306 0.007392 0Rh 5pz -0.007429 0.026829 -0.058421 -0.043522 -0.047560 0.114898 0Rh 5px -0.061306 -0.123749 -0.000257 0.164104 0.046816 -0.282984 0Rh 5py -0.024135 -0.026701 0.008026 0.000355 0.018982 -0.035790 0Rh 6pz -0.606427 -0.654783 0.179388 2.112990 1.165573 0.305042 0Rh 6px 0.669663 -0.372231 0.171127 -0.734127 -0.210359 1.993411 0Rh 6py -1.776826 0.545761 -0.001297 -0.838072 2.297524 0.010434 0Rh 1dz2 -0.008923 -0.016070 -0.055858 -0.014063 -0.003442 0.023773 0Rh 1dxz 0.015627 -0.001698 -0.030951 -0.026500 0.000254 -0.010323 0Rh 1dyz 0.008604 0.008082 0.030127 -0.000244 -0.001923 -0.002192 0Rh 1dx2y2 -0.017680 -0.004599 -0.046175 -0.011794 0.009789 -0.034676 0Rh 1dxy 0.003293 -0.001783 -0.002175 0.017543 -0.013572 -0.010671 0Rh 2dz2 0.002113 0.003294 0.011924 0.002726 -0.000001 -0.005590 0Rh 2dxz -0.002331 0.000999 0.007041 0.006741 -0.000432 0.001450 0Rh 2dyz -0.002427 -0.002430 -0.006156 0.000364 -0.002456 0.000618 0Rh 2dx2y2 0.001781 0.000190 0.010127 0.001595 -0.001606 0.009110 0Rh 2dxy -0.002796 0.000078 0.000576 -0.004283 0.002106 0.003237 0Rh 3dz2 0.009046 0.018325 0.062244 0.016697 0.007089 -0.024177 0Rh 3dxz -0.021558 -0.000850 0.032734 0.024845 0.001230 0.015060 0Rh 3dyz -0.006804 -0.005984 -0.034756 -0.001067 0.014317 0.001760 0Rh 3dx2y2 0.028010 0.008630 0.050206 0.017245 -0.012939 0.031120 0Rh 3dxy 0.005174 0.003285 0.001947 -0.017150 0.018418 0.007754 0Rh 4dz2 0.037660 0.061751 0.216874 0.051449 -0.000535 -0.101492 0Rh 4dxz -0.044928 0.016574 0.125898 0.117979 -0.005160 0.028726 0Rh 4dyz -0.046393 -0.041770 -0.111812 0.005132 -0.036176 0.012795 0Rh 4dx2y2 0.037502 0.004088 0.183294 0.032794 -0.031195 0.162111 0Rh 4dxy -0.043594 0.002138 0.010668 -0.076321 0.042636 0.056506 0Rh 5dz2 -0.059321 -0.144695 -0.459614 -0.083745 0.124631 0.247231 0Rh 5dxz 0.039359 -0.089730 -0.279731 -0.297005 0.003341 -0.051346 0Rh 5dyz 0.256780 0.148041 0.198461 -0.024014 0.337839 -0.103683 0Rh 5dx2y2 0.051264 0.091748 -0.401783 -0.063330 0.057083 -0.450669 0Rh 5dxy 0.249295 0.032770 -0.042041 0.196032 -0.053298 -0.190773 0Rh 1f0 -0.003230 -0.013593 -0.000955 -0.002425 -0.001338 -0.004029 0Rh 1f+1 0.002300 0.008885 0.004938 -0.005376 -0.003294 -0.007145 0Rh 1f-1 -0.002996 0.001712 0.001417 0.002341 -0.002783 0.000263 0Rh 1f+2 0.004363 0.016558 0.000956 -0.003214 -0.006614 -0.001621 0Rh 1f-2 -0.002900 0.007059 -0.005815 -0.000362 0.007408 0.003391 0Rh 1f+3 0.006847 0.015185 -0.008718 0.000331 -0.010274 -0.001995 0Rh 1f-3 0.001320 0.007847 -0.003526 -0.000154 -0.003583 -0.001182 1Rh 1s 0.001410 -0.000421 0.000267 -0.003459 -0.000146 0.003724 1Rh 2s -0.004600 -0.000404 -0.000635 0.006880 0.001198 -0.006509 1Rh 3s 0.005389 -0.002708 0.001165 -0.015943 -0.000113 0.017722 1Rh 4s 0.020514 0.002728 0.002720 -0.028408 -0.005726 0.026140 1Rh 5s -0.009627 -0.020695 0.001169 -0.034713 0.010544 0.049477 1Rh 6s -0.075314 0.075239 -0.020594 0.304055 -0.012730 -0.350757 1Rh 7s 0.314953 -0.368738 0.056224 -1.395669 0.090554 1.441197 1Rh 8s 0.676003 -1.025827 0.330569 -0.272620 0.065670 -0.359375 1Rh 1pz -0.001062 0.004057 -0.009830 0.001881 -0.007689 -0.008008 1Rh 1px 0.005621 -0.010880 -0.000531 -0.008409 0.001069 0.017550 1Rh 1py 0.003134 -0.008417 0.002556 0.001480 -0.007250 -0.001061 1Rh 2pz 0.003831 -0.013928 0.033734 -0.006473 0.026541 0.026938 1Rh 2px -0.019256 0.036847 0.001972 0.028275 -0.003487 -0.059394 1Rh 2py -0.010665 0.029055 -0.008810 -0.005048 0.025460 0.003827 1Rh 3pz -0.006587 0.009973 -0.023603 0.004857 -0.021485 -0.007804 1Rh 3px 0.013368 -0.016219 -0.004246 -0.007948 -0.001218 0.024212 1Rh 3py 0.005723 -0.023844 0.006928 0.002952 -0.029221 -0.006404 1Rh 4pz 0.007633 0.031427 -0.079194 0.015325 -0.051646 -0.107182 1Rh 4px 0.041805 -0.122999 0.006089 -0.115546 0.022993 0.211871 1Rh 4py 0.031038 -0.053893 0.017504 0.013304 -0.015342 0.006793 1Rh 5pz -0.032059 -0.024358 0.062395 -0.041409 0.043334 0.129737 1Rh 5px 0.000383 0.123228 -0.011759 0.166644 -0.037762 -0.282628 1Rh 5py -0.008210 0.026435 -0.007746 0.000159 -0.018232 -0.035111 1Rh 6pz -0.333882 0.626907 -0.280442 2.093193 -1.173670 0.137585 1Rh 6px -0.335422 0.449554 -0.117240 -0.814797 0.188644 1.940605 1Rh 6py -1.594960 -0.492876 0.060949 -0.766805 -2.367426 0.022894 1Rh 1dz2 0.015974 -0.015778 -0.056830 0.011602 -0.003145 -0.022392 1Rh 1dxz -0.003870 -0.001249 -0.032098 0.025505 0.000160 0.010929 1Rh 1dyz -0.007576 0.008126 0.029968 0.001676 -0.001168 0.001404 1Rh 1dx2y2 -0.000929 -0.005274 -0.046209 0.007932 0.008704 0.035563 1Rh 1dxy -0.003194 -0.002147 -0.000831 -0.017085 -0.015091 0.010697 1Rh 2dz2 -0.002488 0.003307 0.012118 -0.002147 -0.000101 0.005230 1Rh 2dxz 0.001683 0.000957 0.007362 -0.006413 -0.000432 -0.001558 1Rh 2dyz 0.002243 -0.002400 -0.006112 -0.000623 -0.002672 -0.000520 1Rh 2dx2y2 -0.000984 0.000210 0.010083 -0.000934 -0.001356 -0.009267 1Rh 2dxy 0.001536 0.000093 0.000243 0.004113 0.002440 -0.003251 1Rh 3dz2 -0.021669 0.017685 0.063369 -0.014179 0.006926 0.022907 1Rh 3dxz 0.000583 -0.001576 0.033678 -0.024222 0.001431 -0.015847 1Rh 3dyz 0.005524 -0.006204 -0.034620 -0.000728 0.013715 -0.000578 1Rh 3dx2y2 0.006032 0.009894 0.050481 -0.012264 -0.011823 -0.032255 1Rh 3dxy -0.000014 0.003949 0.000655 0.016953 0.020074 -0.007746 1Rh 4dz2 -0.046860 0.061700 0.220505 -0.041004 -0.002351 0.095025 1Rh 4dxz 0.028500 0.015623 0.131402 -0.112297 -0.005148 -0.030651 1Rh 4dyz 0.043140 -0.041303 -0.111106 -0.009961 -0.040085 -0.010823 1Rh 4dx2y2 -0.013671 0.004999 0.182611 -0.020254 -0.026621 -0.164996 1Rh 4dxy 0.024087 0.002733 0.004736 0.073410 0.048652 -0.056759 1Rh 5dz2 0.014986 -0.148884 -0.465776 0.058453 0.133062 -0.225849 1Rh 5dxz -0.109429 -0.090268 -0.294159 0.278604 0.003933 0.053487 1Rh 5dyz -0.242034 0.142886 0.197923 0.030757 0.354535 0.106296 1Rh 5dx2y2 0.065190 0.094412 -0.399043 0.043927 0.046991 0.452449 1Rh 5dxy -0.134417 0.033237 -0.025990 -0.185968 -0.065859 0.192414 1Rh 1f0 0.001623 0.013690 0.001026 -0.002272 0.001074 -0.004460 1Rh 1f+1 -0.000583 -0.008751 -0.004811 -0.005747 0.003340 -0.006737 1Rh 1f-1 -0.004694 -0.001748 -0.001504 0.002113 0.002537 0.000764 1Rh 1f+2 -0.003206 -0.016724 -0.000739 -0.003699 0.006559 -0.001490 1Rh 1f-2 -0.004853 -0.007032 0.005865 -0.000041 -0.007279 0.003460 1Rh 1f+3 -0.001969 -0.015240 0.008639 0.000240 0.010081 -0.001511 1Rh 1f-3 0.002788 -0.007663 0.003476 0.000391 0.003906 -0.000996 2C 1s 0.004137 -0.000618 0.000343 -0.003665 0.004466 -0.002653 2C 2s 0.012045 -0.002900 0.001257 -0.010273 0.013844 -0.005447 2C 3s -0.045460 0.050182 -0.018008 0.038727 -0.058195 -0.080810 2C 4s -0.188424 -0.233470 0.157435 0.032060 0.216625 0.505323 2C 5s -3.747940 -0.348443 -1.165320 2.990270 -5.565309 4.348150 2C 1pz -0.051120 0.004753 -0.000582 0.041267 -0.044012 0.015636 2C 1px 0.024136 -0.004132 -0.009084 0.002261 0.035338 -0.011930 2C 1py -0.054893 0.009363 -0.001336 0.015127 -0.023664 0.010374 2C 2pz -0.145062 -0.111899 0.039166 0.190557 -0.166346 0.293213 2C 2px 0.261444 -0.052018 -0.032558 -0.041743 0.181085 0.059068 2C 2py -0.291575 -0.073383 -0.009002 -0.065255 -0.123181 0.185601 2C 3pz -1.385485 -0.200716 0.037977 0.685180 -0.973237 0.755596 2C 3px 0.315465 -0.166090 0.014122 -0.463386 -0.417832 0.710685 2C 3py -0.340210 0.295362 -0.565236 0.864448 -1.001510 0.963785 2C 1dz2 -0.003275 -0.004711 -0.002321 -0.002357 -0.001668 0.001002 2C 1dxz -0.003070 -0.001728 -0.001082 -0.004086 0.002062 0.001568 2C 1dyz -0.000938 0.001498 0.001332 0.004467 -0.002673 0.003538 2C 1dx2y2 -0.003998 -0.002374 -0.001216 -0.002120 0.000405 -0.003273 2C 1dxy -0.001793 -0.001052 -0.001303 0.000490 -0.000780 0.001271 2C 2dz2 -0.303912 0.050060 0.286814 -0.161404 0.087109 -0.119558 2C 2dxz -0.131776 0.119436 0.046009 -0.024198 -0.448218 0.071700 2C 2dyz 0.182102 -0.102458 -0.200913 0.068738 0.017496 0.133253 2C 2dx2y2 0.064737 0.067537 0.133881 -0.254131 0.061178 -0.021949 2C 2dxy 0.056839 -0.083959 0.093221 -0.076520 -0.202909 -0.002100 2C 1f0 -0.005302 0.009243 0.010768 -0.004472 0.008729 -0.000465 2C 1f+1 0.005633 0.000051 0.000871 0.003317 -0.004356 0.001872 2C 1f-1 -0.006348 -0.002084 0.000985 0.003732 -0.008923 0.008759 2C 1f+2 0.000033 0.006765 0.006610 -0.001149 -0.004440 -0.005592 2C 1f-2 -0.004103 0.003373 0.002500 -0.000004 -0.013458 0.007350 2C 1f+3 -0.002911 0.003003 0.000283 -0.004053 -0.003960 -0.001841 2C 1f-3 0.003249 -0.007290 -0.006177 -0.000066 0.009651 -0.001346 3C 1s -0.002147 -0.002758 0.000799 -0.006403 -0.003282 -0.003572 3C 2s -0.005758 -0.009497 0.002443 -0.016548 -0.009954 -0.009412 3C 3s -0.006508 0.072908 -0.018485 -0.003029 0.044309 -0.007437 3C 4s 0.198279 -0.221268 -0.061093 0.460352 -0.167977 0.152332 3C 5s 3.063279 2.041841 0.936648 4.925985 4.695367 3.997839 3C 1pz 0.023599 0.030136 -0.017369 0.054501 0.045600 0.047231 3C 1px 0.003511 -0.006412 0.016375 0.028965 -0.012382 -0.016698 3C 1py -0.038345 -0.029703 0.003342 -0.024400 -0.021930 -0.019751 3C 2pz 0.079788 0.093779 -0.055291 0.408048 0.230212 0.295082 3C 2px -0.037380 -0.087495 0.063738 0.164242 -0.033927 0.068982 3C 2py -0.175562 0.041646 -0.025173 -0.182430 -0.084134 -0.139351 3C 3pz 1.163498 0.867684 0.328331 0.615464 0.543491 0.247729 3C 3px 0.040710 0.364617 0.126331 0.130468 0.502420 0.821435 3C 3py -0.518756 -0.153439 0.064972 -1.480917 -0.947711 -0.750199 3C 1dz2 0.001822 0.001902 -0.002977 -0.003268 -0.002552 -0.001126 3C 1dxz 0.002854 0.000956 -0.000894 -0.002187 -0.002092 -0.000366 3C 1dyz -0.005008 -0.002606 0.000869 -0.002219 -0.002038 -0.000202 3C 1dx2y2 0.004030 0.002060 -0.002270 -0.004591 -0.001626 -0.001630 3C 1dxy -0.001874 0.000652 0.000760 -0.001482 -0.000356 -0.000474 3C 2dz2 0.335038 0.051657 0.320890 -0.113957 -0.092308 -0.145709 3C 2dxz 0.082744 0.083279 0.059057 -0.080092 0.180944 0.037612 3C 2dyz -0.051388 0.194383 -0.214683 0.073440 0.096196 0.146090 3C 2dx2y2 -0.065276 -0.051605 0.194092 -0.246543 -0.054403 -0.108659 3C 2dxy 0.054258 -0.198966 -0.019661 -0.011506 -0.204028 -0.229199 3C 1f0 -0.000470 -0.005207 0.006296 -0.010088 -0.004904 -0.009884 3C 1f+1 0.001426 -0.007886 0.009214 0.000845 -0.005196 -0.006849 3C 1f-1 -0.000930 0.007700 -0.015640 0.005645 -0.000976 0.006555 3C 1f+2 -0.007850 -0.000646 -0.001048 -0.007803 -0.000617 -0.003668 3C 1f-2 -0.001437 -0.001160 -0.004565 -0.007012 -0.003799 -0.005493 3C 1f+3 -0.000172 0.003083 0.000507 -0.002020 0.008411 0.005057 3C 1f-3 -0.003411 0.005716 0.000396 -0.002688 0.008872 0.006930 4C 1s -0.016245 -0.005213 0.002573 0.010826 -0.009561 0.010045 4C 2s -0.040097 -0.011816 0.006057 0.026211 -0.021224 0.022748 4C 3s 0.287836 -0.079842 0.005928 -0.118344 0.112102 0.057490 4C 4s -1.425709 1.117640 -0.323967 0.501192 -0.606140 -0.704285 4C 5s -0.077114 0.850907 0.359105 -0.929631 1.275754 -3.271675 4C 1pz 0.095598 -0.022642 -0.016396 -0.035675 0.007065 0.020092 4C 1px -0.006615 -0.023105 -0.017468 0.025584 0.112079 -0.039378 4C 1py 0.035552 0.041762 0.022766 -0.044395 0.021940 -0.023351 4C 2pz -0.180337 0.157717 -0.032749 -0.171642 -0.271551 0.190298 4C 2px -0.025204 -0.124108 -0.144970 0.411016 0.428877 -0.713766 4C 2py -0.123513 0.032412 -0.051998 0.081820 -0.004092 -0.136432 4C 3pz -2.869787 0.459042 -0.558299 2.150160 -3.480088 2.920982 4C 3px -1.951214 -0.022071 0.004915 1.509032 1.594742 -0.891756 4C 3py -3.029614 -1.053454 -0.080791 1.091264 -1.196533 1.122027 4C 1dz2 0.004871 -0.009196 -0.016188 0.009414 -0.014211 0.014268 4C 1dxz 0.000558 -0.009526 -0.005849 0.005791 0.008876 0.001460 4C 1dyz -0.014857 0.005056 0.008324 0.000645 -0.011586 0.005918 4C 1dx2y2 0.000689 0.002943 -0.014163 0.007286 0.005396 -0.002955 4C 1dxy -0.005586 0.000931 -0.000659 0.007772 0.006025 -0.004625 4C 2dz2 0.190119 0.220910 0.218487 -0.049470 0.178917 -0.043296 4C 2dxz 0.293734 0.044132 -0.022359 0.075936 0.122744 -0.143719 4C 2dyz 0.088129 -0.036358 -0.154221 -0.160445 0.175685 -0.227923 4C 2dx2y2 -0.087760 0.244332 0.033811 0.064195 -0.214426 -0.018764 4C 2dxy 0.011096 0.005608 0.042018 0.081810 -0.127258 -0.278642 4C 1f0 0.014652 -0.009246 -0.001951 0.003792 0.001124 0.010000 4C 1f+1 0.020779 -0.014953 -0.003331 0.000868 0.017109 0.010288 4C 1f-1 0.005481 -0.004696 0.001793 -0.006458 0.001166 0.012500 4C 1f+2 -0.017262 0.012378 -0.001145 0.002838 -0.004945 -0.003812 4C 1f-2 0.004814 -0.000332 0.000142 0.001978 0.005561 -0.010478 4C 1f+3 -0.006332 -0.003489 0.000287 -0.002436 0.001560 0.004459 4C 1f-3 0.004468 -0.000241 0.009936 -0.011653 0.009195 0.016404 5C 1s 0.012084 0.001231 -0.001978 0.016013 0.012087 0.005544 5C 2s 0.027788 0.002431 -0.005055 0.037128 0.028397 0.011982 5C 3s -0.020059 -0.125925 0.070758 -0.095954 -0.132191 -0.023425 5C 4s -0.219203 1.305526 -0.336817 0.229026 0.363220 0.218292 5C 5s -1.409714 0.514405 -0.939436 -1.711006 -1.061279 -1.370377 5C 1pz -0.051153 0.030865 -0.016486 -0.024376 -0.024683 0.046702 5C 1px 0.020142 -0.036266 -0.028229 0.019612 -0.052160 -0.046577 5C 1py 0.039004 0.042711 -0.040196 0.050322 0.026534 0.003251 5C 2pz -0.071073 0.144990 -0.010655 -0.120594 0.200529 0.348762 5C 2px -0.022902 -0.196475 -0.044605 0.517312 -0.369111 -0.721594 5C 2py 0.178774 -0.188777 0.004381 0.031534 -0.172359 -0.295972 5C 3pz 0.352866 0.204970 0.026388 2.226538 2.205049 2.031744 5C 3px 1.937427 -0.633509 0.208079 2.350421 -0.772458 -1.449556 5C 3py -2.444785 -2.208594 0.075653 -3.253587 -2.555675 -2.429352 5C 1dz2 -0.012053 -0.002238 -0.017816 0.001861 0.002283 0.005995 5C 1dxz -0.000826 -0.005003 -0.007124 0.006732 -0.000659 -0.001563 5C 1dyz 0.003275 -0.009760 0.012482 -0.011236 -0.011853 -0.013020 5C 1dx2y2 -0.007972 -0.001407 -0.012159 -0.000617 -0.011963 -0.007473 5C 1dxy -0.008554 0.004668 -0.003548 -0.012320 0.002722 0.005098 5C 2dz2 0.088563 -0.190557 0.274283 0.122132 0.071935 0.084187 5C 2dxz -0.133915 -0.189490 0.037955 -0.040344 -0.101974 -0.212955 5C 2dyz 0.136909 0.051582 -0.097688 0.228491 0.009347 0.067762 5C 2dx2y2 -0.085199 0.085979 0.060189 0.328540 0.256735 0.121771 5C 2dxy 0.084213 0.023714 -0.039310 0.034170 0.113598 0.210511 5C 1f0 -0.003014 -0.000627 -0.001927 0.005749 -0.007017 -0.004683 5C 1f+1 0.002711 -0.004107 -0.003647 -0.003026 -0.004586 0.005228 5C 1f-1 0.001429 -0.000769 0.000964 -0.002287 -0.004423 -0.010770 5C 1f+2 0.005128 0.000467 0.001255 -0.000630 0.001273 -0.005610 5C 1f-2 0.003499 0.014253 -0.002399 -0.008365 0.009965 0.011140 5C 1f+3 0.010877 -0.014674 0.008046 -0.003652 -0.006398 -0.004615 5C 1f-3 -0.007911 0.015866 -0.013074 0.007319 0.005939 -0.002011 6C 1s -0.011730 0.001371 -0.000966 -0.016041 0.011533 -0.005134 6C 2s -0.031197 0.002796 -0.002675 -0.037437 0.027108 -0.011021 6C 3s 0.294845 -0.127867 0.063079 0.115971 -0.132796 0.024496 6C 4s -1.479215 1.311853 -0.316712 -0.360960 0.386336 -0.259057 6C 5s 0.252391 0.435170 -1.011250 1.645949 -0.959789 1.452368 6C 1pz -0.079064 -0.029576 0.018675 -0.024403 0.022893 0.045645 6C 1px 0.002923 0.034023 0.026856 0.018366 0.051172 -0.048275 6C 1py 0.071276 -0.043056 0.036503 0.054143 -0.026280 0.000775 6C 2pz 0.106523 -0.140964 0.019848 -0.102674 -0.208177 0.356916 6C 2px -0.001557 0.178687 0.010491 0.509302 0.383538 -0.722919 6C 2py -0.094590 0.186469 -0.009788 0.009849 0.181617 -0.307379 6C 3pz 0.564301 -0.237703 -0.131317 2.289737 -2.166063 2.079511 6C 3px 1.585574 0.624182 -0.365378 2.252222 0.811352 -1.499898 6C 3py -2.563137 2.276896 0.109210 -3.322315 2.450348 -2.438790 6C 1dz2 0.014375 -0.002543 -0.017921 -0.002628 0.002667 -0.005346 6C 1dxz 0.007282 -0.005073 -0.006771 -0.006435 -0.000722 0.001933 6C 1dyz 0.001605 -0.009697 0.011977 0.012476 -0.011767 0.013113 6C 1dx2y2 -0.002238 -0.001513 -0.012198 -0.000237 -0.011525 0.007709 6C 1dxy 0.004365 0.004476 -0.004315 0.011562 0.002979 -0.005684 6C 2dz2 0.000221 -0.194391 0.280744 -0.102614 0.068244 -0.082926 6C 2dxz 0.191014 -0.188005 0.034310 0.048092 -0.105059 0.201662 6C 2dyz 0.046628 0.056087 -0.084746 -0.222633 -0.003588 -0.060276 6C 2dx2y2 0.022026 0.088247 0.077317 -0.333153 0.252958 -0.132425 6C 2dxy -0.047894 0.017792 -0.038547 -0.031377 0.116114 -0.211091 6C 1f0 -0.006837 0.000451 0.001599 0.005586 0.007379 -0.004738 6C 1f+1 -0.009026 0.004578 0.003919 -0.003728 0.004463 0.004582 6C 1f-1 0.002113 0.000562 -0.000938 -0.002342 0.004663 -0.010586 6C 1f+2 0.010514 -0.000375 -0.001408 -0.000341 -0.001279 -0.005472 6C 1f-2 0.021639 -0.014003 0.002774 -0.007048 -0.010687 0.011412 6C 1f+3 -0.007977 0.014905 -0.007856 -0.005354 0.006772 -0.005155 6C 1f-3 0.014170 -0.015806 0.012553 0.009287 -0.006389 -0.002068 7C 1s 0.012615 -0.005679 0.002903 -0.010841 -0.009089 -0.010279 7C 2s 0.027809 -0.012963 0.006909 -0.026473 -0.020149 -0.023272 7C 3s 0.009760 -0.074936 -0.000761 0.137029 0.108971 -0.049826 7C 4s -0.338475 1.112318 -0.284768 -0.628353 -0.586332 0.641359 7C 5s -1.212771 0.835283 0.313019 0.836701 1.179088 3.317647 7C 1pz 0.043784 0.020405 0.018052 -0.037808 -0.006614 0.018608 7C 1px -0.021200 0.020404 0.016402 0.025754 -0.109928 -0.040814 7C 1py -0.007088 -0.043223 -0.020367 -0.048091 -0.021785 -0.024926 7C 2pz 0.081874 -0.154519 0.043141 -0.153888 0.257268 0.200871 7C 2px -0.012944 0.104588 0.114795 0.420007 -0.408667 -0.709081 7C 2py 0.030076 -0.036320 0.044850 0.094751 0.002762 -0.126191 7C 3pz -2.087332 -0.402737 0.484080 2.191458 3.296017 3.026754 7C 3px -1.464862 0.009327 -0.082591 1.541673 -1.525345 -0.933774 7C 3py -2.388913 1.087609 0.055348 1.121183 1.106471 1.202656 7C 1dz2 -0.001059 -0.009455 -0.015827 -0.010066 -0.013860 -0.014420 7C 1dxz 0.005380 -0.009295 -0.005539 -0.005816 0.008449 -0.000869 7C 1dyz 0.010721 0.004883 0.008064 -0.000424 -0.010964 -0.006740 7C 1dx2y2 -0.007665 0.002967 -0.013492 -0.008646 0.005086 0.003022 7C 1dxy 0.001760 0.001077 -0.000235 -0.008086 0.005888 0.004826 7C 2dz2 -0.167096 0.221393 0.218064 0.061660 0.165952 0.057633 7C 2dxz -0.183992 0.048104 -0.013466 -0.073529 0.112920 0.143784 7C 2dyz -0.209203 -0.033782 -0.156536 0.141804 0.167351 0.230156 7C 2dx2y2 -0.040811 0.245307 0.037780 -0.075288 -0.213466 0.006563 7C 2dxy -0.102984 0.009782 0.048116 -0.079563 -0.126541 0.270466 7C 1f0 0.003321 0.009120 0.001815 0.003244 -0.001077 0.009558 7C 1f+1 -0.003775 0.014756 0.003268 -0.000406 -0.016472 0.009248 7C 1f-1 -0.003177 0.004678 -0.001290 -0.007080 -0.001221 0.012004 7C 1f+2 0.003269 -0.012146 0.000940 0.004339 0.005235 -0.003542 7C 1f-2 0.000799 0.000103 -0.000354 0.001626 -0.005259 -0.010536 7C 1f+3 -0.005702 0.003674 -0.000072 -0.002429 -0.001478 0.004141 7C 1f-3 -0.011970 0.000440 -0.008999 -0.013349 -0.009218 0.015443 8C 1s 0.001665 -0.002846 0.000453 0.006495 -0.003086 0.003604 8C 2s 0.005785 -0.009729 0.001536 0.016945 -0.009490 0.009577 8C 3s -0.072260 0.074333 -0.018324 -0.004973 0.045696 0.004032 8C 4s 0.231886 -0.234262 -0.033058 -0.421735 -0.188517 -0.119116 8C 5s -2.956056 2.208068 1.176215 -5.008356 4.564211 -4.164176 8C 1pz 0.031208 -0.029860 0.014151 0.056505 -0.045032 0.047178 8C 1px 0.005148 0.006424 -0.018164 0.027283 0.013802 -0.019404 8C 1py -0.040289 0.030167 -0.001753 -0.025774 0.021520 -0.021427 8C 2pz 0.036802 -0.088705 0.033055 0.409641 -0.225649 0.290001 8C 2px -0.088274 0.086378 -0.071026 0.155403 0.040837 0.057123 8C 2py -0.006584 -0.038171 0.034344 -0.171627 0.074768 -0.140815 8C 3pz 1.127090 -0.897246 -0.372090 0.613113 -0.506673 0.261729 8C 3px 0.044665 -0.367365 -0.127020 0.152960 -0.477587 0.836510 8C 3py -0.485635 0.183038 0.009338 -1.499766 0.919676 -0.774285 8C 1dz2 -0.001354 0.002036 -0.003103 0.003143 -0.002620 0.001311 8C 1dxz -0.001826 0.000938 -0.000950 0.002192 -0.002191 0.000460 8C 1dyz 0.002982 -0.002770 0.000692 0.002184 -0.001819 0.000021 8C 1dx2y2 -0.004064 0.002059 -0.002440 0.004439 -0.001593 0.001719 8C 1dxy 0.000883 0.000765 0.000665 0.001429 -0.000314 0.000469 8C 2dz2 -0.296108 0.058174 0.318435 0.133879 -0.099842 0.143340 8C 2dxz -0.083584 0.085636 0.054106 0.078376 0.180901 -0.054586 8C 2dyz 0.010988 0.189603 -0.211128 -0.089532 0.100456 -0.142087 8C 2dx2y2 0.098914 -0.049774 0.181117 0.255280 -0.058047 0.096851 8C 2dxy -0.024117 -0.200425 -0.018325 0.023579 -0.200684 0.235516 8C 1f0 -0.000849 0.005224 -0.005849 -0.010527 0.005003 -0.009747 8C 1f+1 -0.000269 0.007911 -0.009230 0.000143 0.005251 -0.006881 8C 1f-1 -0.000920 -0.007658 0.015375 0.006460 0.000922 0.005944 8C 1f+2 0.000117 0.000356 0.001617 -0.007040 0.000359 -0.003401 8C 1f-2 0.003493 0.001324 0.004812 -0.006717 0.003530 -0.005600 8C 1f+3 -0.001998 -0.003224 -0.000386 -0.001847 -0.008208 0.005603 8C 1f-3 -0.002039 -0.005801 -0.000258 -0.002389 -0.009029 0.007532 9C 1s -0.003831 -0.000575 0.000231 0.003693 0.004224 0.002858 9C 2s -0.009564 -0.002789 0.000896 0.010471 0.013194 0.006137 9C 3s -0.039678 0.050061 -0.014671 -0.045149 -0.057815 0.075932 9C 4s 0.540553 -0.247391 0.142201 -0.002659 0.224688 -0.483334 9C 5s 3.158925 -0.336855 -1.024285 -3.024574 -5.293271 -4.589129 9C 1pz -0.032616 -0.003463 -0.000813 0.042571 0.042588 0.017610 9C 1px 0.019023 0.003910 0.007663 0.002405 -0.033880 -0.014199 9C 1py -0.037546 -0.008391 0.000999 0.015861 0.020913 0.013085 9C 2pz -0.236406 0.115278 -0.042344 0.184095 0.159389 0.295379 9C 2px 0.130632 0.048942 0.029816 -0.046254 -0.177607 0.045253 9C 2py -0.308802 0.079057 0.017451 -0.070441 0.102312 0.195278 9C 3pz -1.128725 0.204915 -0.062552 0.681127 0.919462 0.805604 9C 3px 0.090711 0.179260 0.010431 -0.484325 0.381236 0.716426 9C 3py -0.250879 -0.283880 0.517789 0.893991 0.959330 0.996940 9C 1dz2 0.003150 -0.004719 -0.002513 0.002317 -0.001388 -0.000955 9C 1dxz 0.002919 -0.001820 -0.001358 0.004059 0.002068 -0.001666 9C 1dyz 0.002167 0.001462 0.001536 -0.004289 -0.002665 -0.003571 9C 1dx2y2 0.002471 -0.002353 -0.001313 0.002064 0.000470 0.003220 9C 1dxy 0.001675 -0.001127 -0.001305 -0.000567 -0.000728 -0.001369 9C 2dz2 0.243609 0.049785 0.276232 0.178371 0.095188 0.115386 9C 2dxz 0.037626 0.114084 0.043365 0.022646 -0.431645 -0.091762 9C 2dyz -0.125368 -0.099772 -0.192980 -0.078207 0.013137 -0.128798 9C 2dx2y2 -0.008400 0.070337 0.120975 0.263928 0.064073 0.022959 9C 2dxy -0.060681 -0.083993 0.086662 0.086948 -0.199406 -0.006288 9C 1f0 -0.007400 -0.009343 -0.010695 -0.005318 -0.008560 -0.000840 9C 1f+1 0.004273 -0.000212 -0.001104 0.003081 0.003965 0.001887 9C 1f-1 -0.008623 0.002182 -0.000987 0.003526 0.008415 0.009131 9C 1f+2 0.006307 -0.006569 -0.006361 -0.001150 0.004173 -0.005412 9C 1f-2 -0.006036 -0.003214 -0.002263 -0.000336 0.012881 0.007962 9C 1f+3 0.000840 -0.003134 -0.000239 -0.003906 0.003976 -0.001292 9C 1f-3 0.001508 0.007100 0.005953 0.000068 -0.009307 -0.001917 10H 1s -0.016739 0.001643 0.003887 0.015620 0.011348 -0.016350 10H 2s -0.430983 0.078236 0.106970 0.184742 -0.333406 -0.151428 10H 3s -0.038954 0.139591 0.082608 0.042526 0.435302 -0.408249 10H 1pz 0.003806 -0.001237 0.000680 -0.004158 -0.018822 0.001206 10H 1px 0.028968 -0.007927 -0.002860 -0.016662 0.041704 0.005401 10H 1py -0.003906 0.002885 0.003788 -0.018445 -0.013469 0.000599 11H 1s -0.012143 0.006178 0.009596 -0.009314 0.008062 -0.004484 11H 2s 0.337840 -0.181474 0.033897 -0.038435 0.507087 -0.165491 11H 3s -0.012607 -0.067977 0.343339 -0.349771 0.562386 -0.171995 11H 1pz 0.041258 -0.009627 -0.017437 0.015906 0.010620 -0.001342 11H 1px 0.018207 -0.019747 -0.006638 0.000358 0.036764 -0.007333 11H 1py -0.004604 -0.000787 -0.009401 0.005392 0.001380 0.001764 12H 1s -0.002647 0.000546 -0.001793 0.004279 0.001996 0.002458 12H 2s -0.051613 0.055772 -0.016286 -0.220610 0.381046 -0.102884 12H 3s 0.292717 0.089529 -0.082525 -0.017282 0.393118 -0.031039 12H 1pz 0.000308 0.001393 0.016850 -0.011037 0.004470 -0.014126 12H 1px 0.010906 0.009905 0.001076 -0.008508 0.018645 -0.001515 12H 1py -0.012413 0.001147 0.005490 -0.024266 0.015677 -0.013282 13H 1s 0.012937 0.002298 -0.004748 0.010985 -0.007470 -0.015337 13H 2s 0.099226 0.267959 -0.227721 0.044789 0.259782 0.134822 13H 3s 0.057337 0.031461 -0.062999 -0.169217 -0.332218 -0.465501 13H 1pz -0.014067 0.020066 -0.013880 0.004650 0.027719 0.026002 13H 1px -0.012233 -0.018667 0.005878 -0.004661 -0.024936 -0.008846 13H 1py 0.012484 0.001957 0.000061 0.014379 0.001294 -0.001621 14H 1s 0.011939 0.008172 -0.000474 -0.007104 -0.002234 -0.000107 14H 2s 0.021769 -0.045425 -0.014563 0.147118 -0.222407 -0.060137 14H 3s 0.010456 0.061985 -0.021307 -0.337958 -0.431469 -0.284825 14H 1pz -0.010839 -0.008052 -0.006790 0.018966 0.001627 0.002550 14H 1px -0.005367 -0.003873 -0.005034 0.010773 -0.014397 0.002171 14H 1py 0.020241 0.009091 0.013693 0.005728 0.003759 -0.000095 15H 1s -0.006045 0.002828 -0.011793 0.002420 -0.010927 0.002509 15H 2s -0.136830 -0.366304 0.104002 -0.396556 -0.385512 -0.424119 15H 3s -0.368322 -0.374781 -0.348288 0.026864 -0.415419 -0.212466 15H 1pz 0.016615 0.019438 0.000176 0.007017 0.013301 0.013448 15H 1px 0.009568 -0.022103 0.013906 -0.004101 -0.018804 -0.022029 15H 1py -0.002613 0.018795 -0.027451 0.037649 0.005183 0.023545 16H 1s 0.015794 0.004115 -0.003829 0.008865 0.015985 -0.015933 16H 2s 0.230772 0.192588 -0.006276 0.136417 -0.076281 -0.234503 16H 3s -0.055397 0.119863 0.031313 0.079139 0.032817 -0.097911 16H 1pz -0.003139 0.002271 0.008749 0.008326 -0.006850 0.017969 16H 1px 0.013317 -0.008206 0.004322 0.013254 0.038010 -0.010429 16H 1py 0.013584 0.019327 -0.008134 0.001401 -0.000716 -0.036625 17H 1s 0.005661 -0.001592 0.006874 0.011760 -0.020102 -0.003069 17H 2s 0.230944 0.109754 -0.021655 0.097018 -0.127087 -0.250966 17H 3s 0.064256 0.077513 -0.154020 -0.078113 -0.032043 -0.273518 17H 1pz -0.002503 -0.000783 -0.000772 0.010349 0.004112 0.001851 17H 1px 0.000429 -0.005726 0.008755 0.019042 -0.023023 -0.003556 17H 1py 0.010715 0.011189 -0.004186 0.014765 -0.010758 -0.030412 18H 1s 0.004166 -0.000303 0.007750 -0.010279 -0.020162 0.002431 18H 2s 0.146615 0.124352 -0.014990 -0.073467 -0.132328 0.256243 18H 3s -0.161785 0.079054 -0.161753 0.063811 -0.036997 0.267239 18H 1pz -0.003954 0.001058 0.000360 0.009886 -0.004143 0.001395 18H 1px 0.001275 0.005648 -0.010163 0.018017 0.023600 -0.000765 18H 1py -0.019515 -0.012270 0.003374 0.013202 0.012250 -0.030305 19H 1s -0.000003 0.005315 -0.003644 -0.007890 0.015686 0.016699 19H 2s 0.178493 0.203870 0.000644 -0.112190 -0.076051 0.230838 19H 3s 0.020227 0.131737 0.036126 -0.076669 0.037104 0.109989 19H 1pz -0.008076 -0.001044 -0.009477 0.007618 0.005550 0.019232 19H 1px 0.004524 0.007696 -0.004962 0.012123 -0.037399 -0.013073 19H 1py -0.016656 -0.020824 0.007848 0.000541 0.001086 -0.036725 20H 1s 0.004944 0.002048 -0.011626 -0.002675 -0.010537 -0.001953 20H 2s 0.154322 -0.369190 0.082629 0.411772 -0.382768 0.423476 20H 3s 0.415146 -0.396171 -0.344597 -0.021092 -0.412102 0.243847 20H 1pz 0.016447 -0.019433 -0.000806 0.007465 -0.013042 0.013076 20H 1px 0.007258 0.022281 -0.013970 -0.005646 0.018777 -0.022017 20H 1py -0.003701 -0.017551 0.025262 0.038670 -0.005459 0.022131 21H 1s -0.011154 0.007511 -0.000498 0.007149 -0.002393 0.000822 21H 2s -0.085985 -0.056121 -0.003720 -0.143438 -0.224739 0.092615 21H 3s 0.030103 0.045409 -0.031115 0.347313 -0.439334 0.298709 21H 1pz -0.004622 0.008320 0.005865 0.019519 -0.002160 0.002019 21H 1px 0.000777 0.003823 0.004680 0.011041 0.014432 0.000689 21H 1py 0.019040 -0.008667 -0.014448 0.005226 -0.002805 -0.000215 22H 1s -0.011045 0.002043 -0.003719 -0.010659 -0.007702 0.016186 22H 2s -0.205608 0.263860 -0.221244 -0.066270 0.266778 -0.142818 22H 3s -0.070445 0.022655 -0.066141 0.180608 -0.329559 0.490333 22H 1pz -0.002350 -0.019858 0.013772 0.006827 -0.028107 0.026586 22H 1px -0.018965 0.019402 -0.005579 -0.005960 0.025269 -0.010075 22H 1py 0.010560 -0.002304 -0.000934 0.014164 -0.000785 -0.002415 23H 1s -0.000338 -0.000291 -0.001865 -0.004834 0.002096 -0.002481 23H 2s 0.014686 0.047095 -0.023415 0.217959 0.379923 0.113130 23H 3s -0.203845 0.075097 -0.085461 0.008962 0.378301 0.059659 23H 1pz -0.001261 -0.002013 -0.016075 -0.012295 -0.004123 -0.014569 23H 1px 0.007227 -0.010256 -0.001057 -0.008551 -0.018574 -0.002604 23H 1py -0.007976 -0.001390 -0.004667 -0.024928 -0.016107 -0.013342 24H 1s 0.008438 0.005325 0.008768 0.009570 0.007904 0.004750 24H 2s -0.264207 -0.182800 0.035442 0.039475 0.481889 0.196571 24H 3s 0.091259 -0.078862 0.314040 0.370659 0.545841 0.189710 24H 1pz 0.034703 0.008558 0.015877 0.016918 -0.009491 -0.002497 24H 1px 0.012542 0.019446 0.006231 0.000604 -0.035174 -0.008686 24H 1py -0.003696 0.001097 0.009184 0.005897 -0.001969 0.002115 25H 1s 0.012612 0.001273 0.004669 -0.015667 0.010828 0.016777 25H 2s 0.165745 0.066212 0.105257 -0.195611 -0.325279 0.130262 25H 3s -0.057768 0.135061 0.086091 -0.045932 0.410698 0.429247 25H 1pz 0.010953 0.001642 -0.000153 -0.003426 0.019177 0.002198 25H 1px 0.008034 0.007709 0.003180 -0.017368 -0.040367 0.003279 25H 1py 0.001283 -0.002609 -0.002606 -0.018575 0.012009 0.001281 26O 1s 0.006339 0.002469 0.004034 -0.004062 0.008539 0.009885 26O 2s 0.013676 0.005072 0.008955 -0.007713 0.019532 0.018874 26O 3s 0.007573 0.009784 -0.000966 -0.023183 -0.016885 0.050075 26O 4s -0.367468 -0.106449 -0.159731 0.331429 -0.150028 -0.695060 26O 5s 2.523094 -0.015623 0.562402 -1.840274 0.545168 2.735632 26O 1pz 0.013677 0.033360 -0.016860 -0.043601 0.005139 0.015405 26O 1px 0.022143 -0.019061 -0.004917 -0.039143 0.031476 -0.042037 26O 1py 0.043221 -0.055656 -0.005413 -0.004332 0.016069 0.006733 26O 2pz 0.046482 0.108114 -0.034630 -0.030432 -0.089404 0.007627 26O 2px -0.024275 0.001262 -0.041080 0.008024 -0.038161 -0.238667 26O 2py 0.030919 -0.160608 -0.029218 0.019505 -0.042851 -0.054823 26O 3pz -0.507658 -0.367258 0.133366 -0.011817 0.700620 -0.254742 26O 3px -1.038621 0.192365 -0.263920 0.806388 0.080078 -0.674834 26O 3py -0.393554 0.864059 0.024767 0.452380 0.317831 -0.327985 26O 1dz2 0.003712 -0.001983 0.005171 -0.000967 -0.001526 0.003683 26O 1dxz -0.004214 -0.003029 0.003064 0.001971 0.000622 0.000048 26O 1dyz 0.000495 -0.000692 -0.002372 -0.001026 0.002230 -0.002187 26O 1dx2y2 -0.001578 -0.002048 0.000965 0.003348 0.000970 -0.006465 26O 1dxy -0.000212 0.007135 -0.001772 0.003717 0.003255 -0.004401 26O 2dz2 0.011015 0.046780 0.016243 0.026606 -0.029168 -0.043063 26O 2dxz 0.014556 0.014024 0.014606 -0.001564 0.013999 -0.010202 26O 2dyz 0.028776 -0.032880 -0.009508 -0.015200 -0.003088 -0.023920 26O 2dx2y2 0.035973 0.007436 0.027729 -0.026031 0.007937 0.022894 26O 2dxy 0.051657 0.001746 0.004683 -0.025372 0.028119 0.013307 26O 1f0 0.000178 0.002139 0.000748 -0.001380 0.001428 -0.000810 26O 1f+1 0.001332 0.000278 0.000022 -0.002034 0.001365 0.002509 26O 1f-1 -0.000866 -0.000726 0.000197 0.000401 0.001239 -0.001431 26O 1f+2 0.000059 -0.000803 -0.000564 -0.000637 -0.002211 0.000537 26O 1f-2 -0.001427 -0.001036 0.000602 0.001559 -0.000216 -0.000321 26O 1f+3 0.001445 0.002214 0.001546 -0.001134 -0.000655 0.000907 26O 1f-3 0.004114 -0.001690 0.000371 -0.001154 0.001149 0.003428 27O 1s 0.003399 -0.003745 0.000997 -0.004450 -0.001126 0.009784 27O 2s 0.007264 -0.008640 0.002512 -0.008571 -0.002520 0.018530 27O 3s -0.001091 0.010657 -0.009184 -0.022942 0.004483 0.058800 27O 4s -0.087411 0.084735 0.006723 0.343812 -0.029233 -0.708862 27O 5s -0.259005 -0.721157 0.272475 -2.247726 -0.134100 2.268526 27O 1pz 0.012710 -0.034916 0.000549 -0.027758 -0.011609 0.003327 27O 1px -0.029629 -0.059325 -0.004408 -0.051764 -0.025362 -0.062012 27O 1py 0.047227 -0.030852 0.021246 0.015986 0.014467 -0.011375 27O 2pz -0.009170 -0.102681 0.014221 -0.016311 0.023151 0.032491 27O 2px -0.127594 -0.052247 -0.037894 0.013893 -0.009381 -0.202681 27O 2py 0.136901 -0.149773 0.071685 -0.018957 -0.046502 -0.033186 27O 3pz 0.457658 0.414803 -0.132191 -0.231136 -0.483470 -0.146455 27O 3px 0.388160 0.705860 -0.207023 1.056902 -0.083226 -0.241381 27O 3py -0.485838 0.568143 -0.225277 -0.188316 0.365411 0.394553 27O 1dz2 0.000149 -0.001083 0.004380 -0.000239 0.004900 0.003083 27O 1dxz 0.003465 0.003906 0.001532 0.000695 -0.000959 0.002780 27O 1dyz 0.002717 -0.000437 -0.002170 0.001249 -0.000265 -0.000860 27O 1dx2y2 0.001393 0.004860 0.001623 0.005468 -0.001566 -0.003345 27O 1dxy 0.000761 0.003298 -0.000592 -0.003601 0.002348 0.000518 27O 2dz2 0.010891 -0.007340 0.016801 0.042064 -0.004712 -0.003095 27O 2dxz 0.006928 -0.001257 0.017644 0.004849 -0.005543 -0.019981 27O 2dyz 0.031287 0.016721 -0.022664 0.014701 -0.008808 0.020232 27O 2dx2y2 0.015530 -0.040702 0.029871 -0.022656 -0.021723 0.018699 27O 2dxy 0.010383 0.019808 -0.001025 0.019801 0.022480 0.021552 27O 1f0 -0.000790 -0.001026 0.000752 -0.000688 -0.000090 0.000757 27O 1f+1 0.001177 -0.001514 0.000631 -0.002806 -0.000968 0.001099 27O 1f-1 -0.000494 0.000118 -0.000640 0.001318 0.000649 0.000639 27O 1f+2 -0.000857 0.001302 -0.000891 0.000048 -0.000116 0.003628 27O 1f-2 -0.001992 -0.000006 0.000342 -0.000850 0.001085 0.001021 27O 1f+3 0.001271 -0.001256 0.001735 -0.000079 -0.000198 0.000747 27O 1f-3 -0.000340 -0.000541 0.000800 0.001291 0.000782 -0.000694 28O 1s 0.001738 -0.002256 -0.002538 0.005289 -0.002667 -0.006491 28O 2s 0.005787 -0.005617 -0.006033 0.009075 -0.006456 -0.011889 28O 3s -0.041031 0.014419 0.008470 0.046579 0.006483 -0.047558 28O 4s 0.077042 0.061522 0.031617 -0.430370 -0.045230 0.503049 28O 5s 1.002514 -0.719903 0.008747 1.132778 2.094840 -1.932272 28O 1pz 0.040204 0.014496 0.012540 -0.064829 0.081985 -0.001866 28O 1px -0.087723 0.041973 -0.009146 0.035180 0.018738 -0.005014 28O 1py 0.037821 -0.033547 0.009051 0.024263 0.066977 0.013311 28O 2pz -0.048748 0.077953 0.047218 -0.179905 0.169965 0.080067 28O 2px -0.106873 0.044230 -0.027115 0.108212 0.108908 -0.057711 28O 2py 0.016077 -0.119396 0.006899 0.032081 0.186047 0.066741 28O 3pz -0.360939 0.265763 -0.287612 0.248686 -1.877946 0.103728 28O 3px 1.307894 -0.762734 0.005578 -0.120304 0.589113 -0.476443 28O 3py 0.252864 0.780694 0.162579 0.122807 -1.068625 -0.242646 28O 1dz2 0.000682 -0.000484 -0.000003 -0.000919 -0.002018 0.001090 28O 1dxz 0.004033 -0.004157 0.002608 0.001744 0.009657 -0.003247 28O 1dyz -0.000030 0.002227 -0.000022 -0.000496 -0.002039 -0.001628 28O 1dx2y2 -0.002109 0.005673 0.002438 -0.000662 -0.001676 0.001407 28O 1dxy -0.000992 -0.004474 -0.002278 -0.002061 0.006408 0.000015 28O 2dz2 0.023768 0.021454 0.032117 -0.032720 0.019171 -0.000872 28O 2dxz -0.070252 0.035885 0.015815 -0.000327 -0.032577 0.004950 28O 2dyz 0.038185 -0.025879 -0.020568 -0.026075 0.040128 0.003665 28O 2dx2y2 0.032478 0.002866 0.019150 -0.011453 0.002515 -0.023748 28O 2dxy -0.013955 -0.002188 0.004065 -0.010965 0.002729 -0.010738 28O 1f0 0.000993 -0.001367 0.000036 -0.000955 0.000289 0.000194 28O 1f+1 0.001170 0.000786 0.002183 0.000084 0.000566 -0.002088 28O 1f-1 0.001377 0.000338 0.000361 -0.001109 -0.002913 0.001472 28O 1f+2 -0.004771 0.001184 0.001263 -0.000080 -0.000566 -0.000557 28O 1f-2 0.001381 -0.001627 -0.001735 -0.000265 0.000943 -0.000453 28O 1f+3 -0.002376 0.000962 -0.000261 -0.000400 -0.001476 -0.000399 28O 1f-3 0.000670 -0.001414 -0.002025 0.001434 0.000660 0.000937 29O 1s -0.007406 -0.007629 0.001380 0.001983 0.002716 -0.001568 29O 2s -0.015101 -0.018209 0.003426 0.005582 0.006026 -0.005897 29O 3s -0.026262 0.020427 -0.005504 -0.018811 0.002173 0.039642 29O 4s 0.437047 0.210014 -0.029383 0.008045 -0.134045 -0.144582 29O 5s -1.009600 -0.392173 0.050321 0.070099 0.334359 0.302276 29O 1pz 0.021459 0.014260 -0.012707 -0.024292 -0.009170 0.005108 29O 1px -0.030827 -0.056712 -0.000701 -0.000050 0.017271 -0.037699 29O 1py 0.009137 -0.018822 0.011213 -0.000996 0.007156 0.025392 29O 2pz 0.049324 0.019114 -0.018114 -0.013976 -0.027556 -0.003309 29O 2px -0.081704 -0.103804 -0.004195 -0.029557 0.027595 0.005855 29O 2py 0.008365 -0.022278 0.021551 -0.009308 0.029894 0.052892 29O 3pz -0.099489 0.112037 0.064408 0.064125 0.019680 -0.088025 29O 3px 0.161713 0.156257 0.058758 -0.076624 -0.046755 0.235133 29O 3py 0.280857 0.159074 -0.074117 0.114356 -0.283156 -0.320030 29O 1dz2 0.001775 0.001668 0.000323 0.002165 0.000801 -0.001547 29O 1dxz 0.001383 0.000861 -0.000662 -0.001064 -0.002621 -0.001372 29O 1dyz -0.000601 0.000996 0.000087 0.000655 0.001312 -0.000311 29O 1dx2y2 -0.000044 0.000349 -0.000010 -0.000532 -0.000093 -0.000900 29O 1dxy 0.000203 -0.000434 0.000341 -0.000253 -0.000975 0.002626 29O 2dz2 0.015421 0.006557 -0.019017 -0.010575 0.004713 -0.013123 29O 2dxz -0.010524 0.006141 0.004668 -0.007455 -0.032676 0.037106 29O 2dyz -0.003416 -0.004922 0.006410 0.002206 0.001350 0.009949 29O 2dx2y2 0.010410 -0.001464 -0.000538 0.036851 -0.012224 -0.054670 29O 2dxy -0.004323 0.002501 -0.006950 -0.005282 -0.002136 -0.018036 29O 1f0 0.000516 0.001383 -0.000422 -0.000408 -0.000613 -0.000023 29O 1f+1 -0.000788 -0.000793 0.000874 0.000835 -0.000720 0.001071 29O 1f-1 -0.000002 0.000157 0.000726 -0.000102 -0.001391 0.000986 29O 1f+2 0.000373 -0.001059 -0.000146 -0.000212 0.000798 -0.001042 29O 1f-2 0.000163 0.000589 -0.000984 -0.000985 0.001611 -0.001596 29O 1f+3 -0.000165 -0.001357 0.000033 0.001364 -0.000766 -0.000527 29O 1f-3 -0.001058 -0.000538 0.000123 0.000483 0.000685 -0.000511 30O 1s 0.000424 0.000022 -0.001442 0.004080 -0.005686 -0.009523 30O 2s -0.000106 0.000057 -0.002858 0.006499 -0.012530 -0.018282 30O 3s 0.018035 0.003446 -0.008162 0.044053 0.000847 -0.050913 30O 4s -0.131560 0.079514 0.078211 -0.385968 0.281345 0.692078 30O 5s 0.502035 -1.635097 0.164416 0.829312 -2.259548 -3.377123 30O 1pz 0.001468 -0.088543 0.040061 -0.044505 -0.014480 -0.034262 30O 1px 0.052539 0.008538 -0.006200 0.046393 -0.034594 -0.022586 30O 1py 0.059540 0.024951 -0.021932 0.020615 0.072763 0.021572 30O 2pz 0.017007 -0.191599 0.090296 -0.113878 0.013693 0.013503 30O 2px 0.128382 -0.068664 0.018480 0.131006 -0.168212 -0.160994 30O 2py 0.057191 0.004182 -0.008851 0.069765 0.143561 -0.041287 30O 3pz -0.142155 1.451526 -0.620921 -0.022521 0.697132 0.729738 30O 3px -0.403414 -0.479377 -0.041622 -0.188452 -0.195236 -0.577720 30O 3py 0.269965 -0.815966 0.044412 -0.161885 -1.297681 -0.890623 30O 1dz2 -0.002202 0.003373 -0.001424 0.000293 -0.002357 -0.000824 30O 1dxz 0.000570 -0.008001 0.004257 0.003680 -0.002509 -0.004971 30O 1dyz 0.002196 -0.004920 -0.000335 0.002613 -0.001271 -0.003339 30O 1dx2y2 -0.000381 0.000879 0.002162 -0.002378 -0.003626 -0.000264 30O 1dxy -0.001011 0.005068 0.001421 0.001157 0.007121 0.008175 30O 2dz2 0.010206 0.001662 0.036629 0.004226 0.018519 0.006251 30O 2dxz 0.007594 0.009446 0.008775 -0.000432 0.052104 0.021902 30O 2dyz 0.017488 0.051389 -0.030672 0.049594 0.025911 0.019935 30O 2dx2y2 -0.000561 -0.011543 0.026783 0.010104 0.028886 -0.024734 30O 2dxy -0.009356 -0.022692 0.012262 0.018064 -0.010502 -0.013182 30O 1f0 0.001455 -0.002260 0.000662 0.000995 -0.003236 -0.003010 30O 1f+1 0.001813 -0.001037 0.003346 0.000499 0.000493 -0.000369 30O 1f-1 -0.000434 -0.001092 0.000367 0.000777 -0.000515 -0.001028 30O 1f+2 -0.000046 0.000433 -0.000667 0.000648 -0.000937 -0.002031 30O 1f-2 0.000080 0.000945 -0.001768 0.000964 0.001923 0.001269 30O 1f+3 -0.001085 0.000764 -0.001695 -0.001144 -0.001415 0.000066 30O 1f-3 0.000986 0.000359 0.000786 -0.001458 0.002432 -0.000012 31O 1s 0.006293 -0.000386 -0.001108 -0.003766 -0.006220 0.009258 31O 2s 0.015495 -0.000889 -0.002300 -0.005793 -0.013618 0.017704 31O 3s -0.032132 0.003982 -0.004919 -0.044556 -0.000700 0.050660 31O 4s -0.124241 0.089694 0.048790 0.367794 0.309794 -0.683914 31O 5s 0.961832 -1.631156 0.234022 -0.675896 -2.341065 3.376034 31O 1pz 0.000066 0.086591 -0.037693 -0.047124 0.014986 -0.034452 31O 1px 0.048381 -0.007506 0.002754 0.045336 0.036297 -0.023088 31O 1py 0.049319 -0.025744 0.020095 0.023822 -0.071172 0.024575 31O 2pz 0.057462 0.189861 -0.083959 -0.117846 -0.016064 0.012469 31O 2px 0.040389 0.071539 -0.028219 0.120188 0.176223 -0.162477 31O 2py -0.014011 -0.008411 0.004055 0.073080 -0.135563 -0.031658 31O 3pz 0.258325 -1.444335 0.625141 0.059681 -0.703878 0.751059 31O 3px -0.985292 0.449528 0.057290 -0.220976 0.203318 -0.586871 31O 3py -0.098890 0.823396 -0.041691 -0.238163 1.291784 -0.962195 31O 1dz2 0.003871 0.003455 -0.001447 -0.000223 -0.002428 0.000597 31O 1dxz 0.001675 -0.007877 0.004489 -0.003207 -0.002655 0.005045 31O 1dyz 0.000328 -0.004799 -0.000164 -0.002339 -0.001444 0.003698 31O 1dx2y2 -0.001247 0.000785 0.002009 0.002496 -0.003523 0.000073 31O 1dxy -0.001257 0.004974 0.001438 -0.001504 0.007165 -0.008453 31O 2dz2 -0.008638 0.001619 0.037016 -0.002382 0.017336 -0.007309 31O 2dxz -0.040172 0.008809 0.008956 -0.001197 0.052416 -0.021532 31O 2dyz -0.043352 0.051459 -0.027663 -0.053410 0.025302 -0.019997 31O 2dx2y2 0.004653 -0.011901 0.027766 -0.008765 0.027536 0.024486 31O 2dxy 0.047828 -0.022064 0.013031 -0.015138 -0.011861 0.014203 31O 1f0 -0.001682 0.002258 -0.000737 0.000709 0.003316 -0.003073 31O 1f+1 0.001213 0.001028 -0.003399 0.000313 -0.000399 -0.000335 31O 1f-1 0.000020 0.001124 -0.000421 0.000758 0.000503 -0.000941 31O 1f+2 0.002344 -0.000401 0.000604 0.000758 0.000894 -0.002021 31O 1f-2 0.003732 -0.000962 0.001695 0.001272 -0.002000 0.001279 31O 1f+3 -0.001007 -0.000753 0.001770 -0.001049 0.001394 0.000096 31O 1f-3 0.004670 -0.000370 -0.000750 -0.001251 -0.002483 -0.000040 32O 1s -0.004394 -0.007791 0.001531 -0.002475 0.002643 0.001749 32O 2s -0.007826 -0.018639 0.003856 -0.006449 0.005739 0.006349 32O 3s -0.033081 0.021616 -0.007024 0.014753 0.004332 -0.040393 32O 4s 0.352595 0.211427 -0.028514 0.033897 -0.140781 0.141904 32O 5s -0.835094 -0.393564 0.055344 -0.173637 0.342911 -0.305004 32O 1pz 0.013201 -0.014860 0.014705 -0.023748 0.009587 0.006234 32O 1px 0.005227 0.059778 0.000534 0.001861 -0.015660 -0.039401 32O 1py 0.010934 0.019858 -0.011004 -0.001534 -0.007039 0.025051 32O 2pz 0.004216 -0.018800 0.019625 -0.014789 0.029187 -0.001303 32O 2px 0.072270 0.108214 0.006560 -0.021598 -0.027627 0.003240 32O 2py -0.016757 0.025306 -0.020905 -0.011281 -0.029754 0.052508 32O 3pz -0.028820 -0.115806 -0.070613 0.062197 -0.031034 -0.073817 32O 3px -0.271207 -0.145711 -0.056976 -0.099414 0.043696 0.248497 32O 3py -0.013639 -0.179877 0.065620 0.096926 0.286691 -0.320441 32O 1dz2 0.002084 0.001798 0.000388 -0.001877 0.000835 0.001684 32O 1dxz 0.000030 0.000967 -0.000720 0.001119 -0.002677 0.001239 32O 1dyz 0.001153 0.001062 0.000112 -0.000681 0.001347 0.000336 32O 1dx2y2 0.000982 0.000256 -0.000030 0.000566 -0.000170 0.000843 32O 1dxy -0.002018 -0.000506 0.000327 0.000182 -0.001054 -0.002660 32O 2dz2 -0.009775 0.007874 -0.019823 0.010452 0.002857 0.014315 32O 2dxz -0.001206 0.006114 0.004129 0.007343 -0.031371 -0.039416 32O 2dyz -0.000599 -0.004525 0.006025 -0.002315 0.001278 -0.008495 32O 2dx2y2 0.022704 -0.000694 0.002210 -0.034773 -0.014518 0.054230 32O 2dxy 0.008176 0.002888 -0.007277 0.004283 -0.002650 0.018895 32O 1f0 -0.001045 -0.001380 0.000467 -0.000447 0.000561 -0.000057 32O 1f+1 0.000342 0.000864 -0.000943 0.000862 0.000681 0.001159 32O 1f-1 -0.000916 -0.000149 -0.000696 -0.000230 0.001298 0.000959 32O 1f+2 0.000924 0.001048 0.000158 -0.000166 -0.000789 -0.001143 32O 1f-2 -0.000752 -0.000578 0.001049 -0.000968 -0.001597 -0.001657 32O 1f+3 -0.000267 0.001305 -0.000089 0.001263 0.000799 -0.000555 32O 1f-3 -0.000852 0.000560 -0.000164 0.000549 -0.000662 -0.000529 33O 1s 0.002044 -0.002469 -0.002160 -0.005186 -0.003107 0.005937 33O 2s 0.002964 -0.006083 -0.005342 -0.008841 -0.007339 0.010676 33O 3s 0.028097 0.014147 0.011025 -0.047048 0.004648 0.046975 33O 4s -0.235674 0.067427 0.005093 0.423184 -0.016112 -0.482693 33O 5s 0.477860 -0.683028 0.090444 -1.048944 1.952313 1.947919 33O 1pz 0.030293 -0.016134 -0.009257 -0.066432 -0.080613 -0.008770 33O 1px -0.070007 -0.040661 0.008248 0.036554 -0.018989 -0.003849 33O 1py 0.019790 0.033524 -0.011048 0.023763 -0.065100 0.010854 33O 2pz 0.021548 -0.079243 -0.036173 -0.178527 -0.169150 0.064752 33O 2px -0.146892 -0.042344 0.022120 0.106297 -0.104291 -0.056857 33O 2py 0.001118 0.120771 -0.009246 0.033550 -0.182518 0.061720 33O 3pz 0.042627 -0.242281 0.275903 0.290025 1.824744 0.205543 33O 3px 0.426385 0.729673 -0.009900 -0.170000 -0.566209 -0.507844 33O 3py 0.281960 -0.789402 -0.166809 0.105742 1.053377 -0.199862 33O 1dz2 -0.000170 -0.000458 -0.000020 0.000795 -0.001972 -0.001467 33O 1dxz -0.000661 -0.003988 0.002743 -0.001407 0.009261 0.003567 33O 1dyz -0.000625 0.002300 -0.000043 0.000585 -0.002078 0.001817 33O 1dx2y2 -0.001148 0.005580 0.002400 0.000549 -0.001678 -0.001604 33O 1dxy 0.000169 -0.004510 -0.002325 0.001765 0.006274 0.000085 33O 2dz2 -0.009899 0.022345 0.030630 0.035491 0.018690 0.001963 33O 2dxz 0.012009 0.034155 0.015553 -0.002222 -0.032023 -0.005499 33O 2dyz -0.029141 -0.025240 -0.021600 0.025417 0.038972 -0.002805 33O 2dx2y2 -0.005786 0.003799 0.018903 0.014553 0.001161 0.025530 33O 2dxy -0.002748 -0.002485 0.003656 0.010050 0.002097 0.009264 33O 1f0 -0.001319 0.001313 0.000046 -0.001146 -0.000359 0.000150 33O 1f+1 -0.000169 -0.000804 -0.002207 -0.000156 -0.000510 -0.002142 33O 1f-1 0.001614 -0.000292 -0.000289 -0.001144 0.002758 0.001607 33O 1f+2 -0.000178 -0.001099 -0.001246 0.000130 0.000546 -0.000547 33O 1f-2 0.001707 0.001632 0.001701 -0.000120 -0.000904 -0.000441 33O 1f+3 0.000794 -0.000893 0.000280 -0.000222 0.001403 -0.000348 33O 1f-3 0.000188 0.001422 0.001937 0.001574 -0.000631 0.000987 34O 1s -0.000735 -0.003432 0.000613 0.004887 -0.000918 -0.009254 34O 2s -0.000877 -0.007953 0.001767 0.009595 -0.002086 -0.017352 34O 3s -0.013561 0.011008 -0.011101 0.021295 0.005090 -0.058971 34O 4s -0.003881 0.073529 0.035040 -0.352900 -0.039266 0.690854 34O 5s 1.164824 -0.724725 0.111290 2.303237 -0.109178 -2.236310 34O 1pz 0.007756 0.033317 0.000844 -0.026307 0.012183 0.005678 34O 1px -0.034739 0.060390 0.006891 -0.051580 0.024086 -0.060384 34O 1py 0.031907 0.030142 -0.022852 0.013672 -0.013776 -0.012736 34O 2pz -0.005905 0.098474 -0.012773 -0.011755 -0.021419 0.039712 34O 2px -0.054524 0.053458 0.035183 0.021795 0.008501 -0.194355 34O 2py 0.073189 0.151040 -0.071870 -0.029363 0.045389 -0.036362 34O 3pz 0.259657 -0.397450 0.137398 -0.259624 0.478295 -0.186740 34O 3px 1.030797 -0.743641 0.141851 1.092479 0.096867 -0.259392 34O 3py -0.317383 -0.577746 0.240986 -0.140823 -0.353850 0.413953 34O 1dz2 0.001550 -0.001213 0.004322 0.000505 0.004936 -0.002940 34O 1dxz -0.002042 0.003821 0.001609 -0.000453 -0.000938 -0.002377 34O 1dyz -0.001024 -0.000486 -0.002068 -0.001225 -0.000322 0.000812 34O 1dx2y2 -0.003876 0.005068 0.001954 -0.005507 -0.001583 0.003435 34O 1dxy -0.001325 0.003338 -0.000791 0.003382 0.002314 -0.000368 34O 2dz2 -0.039496 -0.007121 0.019366 -0.042901 -0.005206 -0.000259 34O 2dxz -0.005418 -0.001549 0.018178 -0.003831 -0.006157 0.020052 34O 2dyz -0.019156 0.016171 -0.021533 -0.014511 -0.009283 -0.019058 34O 2dx2y2 0.024050 -0.042029 0.028270 0.026799 -0.021168 -0.019473 34O 2dxy -0.032191 0.020688 0.000103 -0.021136 0.022578 -0.021113 34O 1f0 0.000336 0.000995 -0.000691 -0.000636 0.000118 0.000931 34O 1f+1 -0.002061 0.001519 -0.000450 -0.002998 0.000983 0.001169 34O 1f-1 -0.000386 -0.000118 0.000571 0.001348 -0.000646 0.000537 34O 1f+2 -0.002252 -0.001294 0.000930 0.000059 0.000115 0.003593 34O 1f-2 -0.001091 -0.000002 -0.000265 -0.000769 -0.001113 0.001138 34O 1f+3 -0.002992 0.001317 -0.001699 -0.000437 0.000214 0.000689 34O 1f-3 0.000602 0.000519 -0.000885 0.001299 -0.000708 -0.000499 35O 1s 0.000789 0.002699 0.003573 0.004650 0.008873 -0.009009 35O 2s 0.002237 0.005629 0.008033 0.009036 0.020152 -0.016910 35O 3s -0.014650 0.009074 -0.002769 0.022426 -0.014590 -0.050783 35O 4s 0.069873 -0.109752 -0.129661 -0.354802 -0.174239 0.665764 35O 5s -0.783106 -0.026542 0.437824 1.970194 0.601830 -2.616381 35O 1pz 0.021794 -0.033363 0.019688 -0.042599 -0.005919 0.016232 35O 1px 0.020871 0.018290 0.006514 -0.039201 -0.027984 -0.042249 35O 1py 0.025095 0.056095 0.005272 -0.004925 -0.014738 0.008013 35O 2pz 0.079050 -0.108666 0.037283 -0.028062 0.085223 0.011393 35O 2px 0.072467 -0.003112 0.037576 0.015929 0.046523 -0.229652 35O 2py 0.048027 0.162094 0.026720 0.022435 0.044137 -0.047238 35O 3pz -0.564357 0.365199 -0.133345 -0.014990 -0.676580 -0.273171 35O 3px -0.259904 -0.208757 0.217721 0.866448 -0.101779 -0.651767 35O 3py -0.074059 -0.882782 -0.051266 0.478024 -0.299963 -0.349031 35O 1dz2 -0.002208 -0.002090 0.005073 0.001419 -0.001505 -0.003494 35O 1dxz 0.004718 -0.003024 0.003100 -0.001714 0.000716 -0.000061 35O 1dyz -0.000711 -0.000657 -0.002379 0.000882 0.002311 0.002203 35O 1dx2y2 -0.000794 -0.001888 0.001211 -0.003298 0.000992 0.006295 35O 1dxy -0.001542 0.007351 -0.001466 -0.004064 0.003111 0.004367 35O 2dz2 -0.034386 0.047825 0.018331 -0.027631 -0.029282 0.041379 35O 2dxz 0.006549 0.013917 0.014504 0.003596 0.013096 0.010865 35O 2dyz -0.026349 -0.031928 -0.009463 0.015368 -0.004401 0.025941 35O 2dx2y2 -0.006865 0.007609 0.025953 0.029248 0.008390 -0.021562 35O 2dxy -0.010279 0.001999 0.003434 0.027796 0.026726 -0.011346 35O 1f0 0.000045 -0.002138 -0.000685 -0.001394 -0.001389 -0.000790 35O 1f+1 -0.002331 -0.000301 0.000146 -0.002264 -0.001421 0.002386 35O 1f-1 -0.001373 0.000679 -0.000228 0.000338 -0.001110 -0.001552 35O 1f+2 0.000329 0.000809 0.000611 -0.000601 0.002102 0.000704 35O 1f-2 -0.001494 0.001033 -0.000664 0.001517 0.000251 -0.000323 35O 1f+3 -0.000834 -0.002230 -0.001466 -0.001306 0.000686 0.000875 35O 1f-3 -0.000502 0.001652 -0.000269 -0.001489 -0.001178 0.003256 246 247 248 249 250 251 0.81363 0.81919 0.82270 0.83113 0.84150 0.84819 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s -0.001670 0.000525 -0.000682 0.000868 -0.000726 -0.000144 0Rh 2s 0.002974 -0.001399 0.001438 -0.001949 0.002197 -0.000120 0Rh 3s -0.007914 0.002200 -0.003093 0.003867 -0.002885 -0.000916 0Rh 4s -0.012054 0.006104 -0.006050 0.008301 -0.009711 0.000844 0Rh 5s -0.021135 0.000618 -0.005563 0.005455 0.001531 -0.006812 0Rh 6s 0.161469 -0.038583 0.059828 -0.071784 0.057127 0.023036 0Rh 7s -1.017910 0.304656 -0.281888 0.487132 -0.602168 -0.110350 0Rh 8s -0.353564 -0.149123 -0.647337 0.083791 -0.811458 0.300244 0Rh 1pz -0.018200 0.001090 0.008065 -0.017504 0.003262 -0.001501 0Rh 1px 0.003900 0.001830 0.005095 -0.012083 -0.006766 0.002740 0Rh 1py -0.000270 0.000250 0.020607 0.011808 0.002108 -0.003400 0Rh 2pz 0.062457 -0.003801 -0.027749 0.059705 -0.011434 0.004963 0Rh 2px -0.012847 -0.006188 -0.017295 0.041148 0.022794 -0.009436 0Rh 2py 0.000768 -0.001085 -0.070312 -0.040457 -0.007375 0.011989 0Rh 3pz -0.042847 0.003829 0.020329 -0.033072 0.012277 0.000190 0Rh 3px -0.001802 0.002513 0.008247 -0.021646 -0.007316 0.006948 0Rh 3py 0.002724 0.005090 0.039782 0.026114 0.007711 -0.014185 0Rh 4pz -0.153046 0.004534 0.063140 -0.179182 0.012038 -0.025266 0Rh 4px 0.072435 0.021123 0.054806 -0.126738 -0.087089 0.022054 0Rh 4py -0.015160 -0.012774 0.206651 0.106410 0.007981 -0.008068 0Rh 5pz 0.151798 -0.002707 -0.050514 0.197126 0.006644 0.037432 0Rh 5px -0.094653 -0.019312 -0.045618 0.134419 0.104692 -0.020315 0Rh 5py 0.025274 0.010481 -0.221680 -0.106106 0.002324 -0.001925 0Rh 6pz -2.057077 0.486670 0.474271 0.085476 -1.102724 -0.785429 0Rh 6px -0.552773 -0.101143 0.011622 -0.135113 -0.338209 -0.250558 0Rh 6py 0.556143 0.717358 0.147026 0.865634 0.272495 0.299944 0Rh 1dz2 -0.011155 -0.004461 0.008839 -0.013541 0.017496 0.016007 0Rh 1dxz 0.005530 -0.017171 -0.010334 -0.008935 -0.036864 -0.017830 0Rh 1dyz 0.006808 0.023034 -0.000098 0.012101 -0.003023 -0.014183 0Rh 1dx2y2 -0.006602 0.001194 0.000228 -0.007694 -0.002151 -0.021287 0Rh 1dxy 0.000601 -0.039866 -0.004682 -0.012661 -0.010061 0.028345 0Rh 2dz2 0.003137 -0.000257 -0.002090 0.003468 -0.003292 -0.003512 0Rh 2dxz -0.000809 0.003532 0.002811 0.000613 0.008929 0.003647 0Rh 2dyz -0.001492 -0.007101 -0.000294 -0.001927 0.000477 0.002621 0Rh 2dx2y2 0.000295 -0.000506 -0.000686 0.001253 -0.001309 0.004734 0Rh 2dxy -0.000887 0.007549 0.002329 0.003597 0.001175 -0.006080 0Rh 3dz2 0.009241 0.010331 -0.009142 0.012828 -0.021699 -0.017595 0Rh 3dxz -0.007718 0.019937 0.009089 0.015589 0.037037 0.020876 0Rh 3dyz -0.007476 -0.016295 0.001432 -0.016517 0.004135 0.017823 0Rh 3dx2y2 0.012246 -0.000208 0.002483 0.010289 0.010111 0.023188 0Rh 3dxy 0.002532 0.048990 -0.000298 0.010526 0.015588 -0.032022 0Rh 4dz2 0.056195 -0.003626 -0.036013 0.061385 -0.061579 -0.066006 0Rh 4dxz -0.016307 0.064777 0.048388 0.017040 0.163715 0.068684 0Rh 4dyz -0.026844 -0.129699 -0.003516 -0.035861 0.008992 0.049449 0Rh 4dx2y2 0.007006 -0.009263 -0.010652 0.026064 -0.019956 0.087367 0Rh 4dxy -0.013250 0.140813 0.035768 0.062058 0.024328 -0.112552 0Rh 5dz2 -0.202688 0.172654 0.059869 -0.163548 0.114416 0.187442 0Rh 5dxz 0.003827 -0.145113 -0.134873 0.014013 -0.488877 -0.173977 0Rh 5dyz 0.062841 0.642810 0.005026 -0.001778 0.005484 -0.077839 0Rh 5dx2y2 0.114079 0.065092 0.072676 -0.089035 0.175888 -0.220632 0Rh 5dxy 0.076010 -0.228687 -0.106472 -0.196351 0.006245 0.293723 0Rh 1f0 -0.010819 0.004395 -0.009145 -0.007880 -0.005919 0.000253 0Rh 1f+1 0.005067 -0.002792 0.006394 -0.004191 -0.002592 -0.006175 0Rh 1f-1 0.007594 0.001419 -0.009558 0.004407 -0.001641 0.004437 0Rh 1f+2 0.011720 0.003890 0.001344 -0.015091 0.013006 0.002438 0Rh 1f-2 0.005841 -0.005608 -0.004973 -0.001688 0.001360 0.006037 0Rh 1f+3 0.013858 0.004201 0.008364 -0.003676 0.006000 -0.006365 0Rh 1f-3 0.004138 -0.007412 0.011318 0.000239 -0.001201 0.005797 1Rh 1s -0.001462 -0.000563 -0.000665 0.000984 0.000702 0.000097 1Rh 2s 0.002528 0.001514 0.001391 -0.002204 -0.002103 0.000219 1Rh 3s -0.006975 -0.002352 -0.003025 0.004385 0.002802 0.000699 1Rh 4s -0.010182 -0.006615 -0.005843 0.009379 0.009279 -0.001254 1Rh 5s -0.019473 -0.000472 -0.005530 0.006362 -0.001134 0.006364 1Rh 6s 0.143966 0.040939 0.058130 -0.082188 -0.056344 -0.018660 1Rh 7s -0.925655 -0.317125 -0.261104 0.558800 0.590829 0.083390 1Rh 8s -0.388156 0.130238 -0.607466 0.107483 0.824239 -0.306294 1Rh 1pz 0.017936 0.001701 -0.008109 0.017332 0.002385 -0.001853 1Rh 1px -0.003437 0.002049 -0.005401 0.011942 -0.007248 0.002469 1Rh 1py 0.000148 -0.000658 -0.020511 -0.011712 0.003458 -0.003466 1Rh 2pz -0.061585 -0.005891 0.027903 -0.059144 -0.008441 0.006148 1Rh 2px 0.011285 -0.006938 0.018327 -0.040679 0.024449 -0.008527 1Rh 2py -0.000340 0.002039 0.069984 0.040133 -0.011993 0.012206 1Rh 3pz 0.042869 0.005111 -0.020460 0.033315 0.010601 -0.000134 1Rh 3px 0.002306 0.002995 -0.008583 0.021630 -0.008400 0.006744 1Rh 3py -0.003166 0.002792 -0.039538 -0.025971 0.010558 -0.014158 1Rh 4pz 0.148480 0.010232 -0.063405 0.175453 0.003117 -0.030256 1Rh 4px -0.066184 0.023164 -0.058757 0.124553 -0.091396 0.018109 1Rh 4py 0.014797 -0.019863 -0.205934 -0.105380 0.020698 -0.009320 1Rh 5pz -0.145603 -0.007893 0.050484 -0.191754 0.016167 0.044988 1Rh 5px 0.084439 -0.022043 0.050696 -0.132417 0.108877 -0.014659 1Rh 5py -0.026534 0.017318 0.221320 0.105686 -0.010842 -0.000015 1Rh 6pz 2.059815 0.478605 -0.479340 -0.161344 -1.088064 -0.750695 1Rh 6px 0.676092 -0.074164 -0.028648 0.147415 -0.347590 -0.253199 1Rh 6py -0.569617 0.608920 -0.142575 -0.860274 0.341017 0.317385 1Rh 1dz2 -0.012247 0.003811 0.008938 -0.015207 -0.016804 -0.016340 1Rh 1dxz 0.006510 0.017279 -0.009900 -0.006413 0.037068 0.019105 1Rh 1dyz 0.007441 -0.022953 0.000037 0.013128 0.002124 0.014352 1Rh 1dx2y2 -0.005280 -0.001075 0.000489 -0.006192 0.002611 0.021689 1Rh 1dxy 0.000556 0.039523 -0.005283 -0.013468 0.010865 -0.028288 1Rh 2dz2 0.003354 0.000381 -0.002133 0.003754 0.003102 0.003572 1Rh 2dxz -0.001000 -0.003602 0.002660 0.000012 -0.008932 -0.003860 1Rh 2dyz -0.001733 0.007019 -0.000341 -0.002223 -0.000301 -0.002644 1Rh 2dx2y2 -0.000065 0.000450 -0.000645 0.001012 0.001269 -0.004854 1Rh 2dxy -0.000959 -0.007460 0.002491 0.003773 -0.001416 0.006074 1Rh 3dz2 0.010531 -0.009541 -0.009157 0.015002 0.021097 0.018018 1Rh 3dxz -0.008902 -0.019864 0.008855 0.013016 -0.037436 -0.022578 1Rh 3dyz -0.007721 0.016480 0.001360 -0.017334 -0.003044 -0.018071 1Rh 3dx2y2 0.011108 0.000204 0.001769 0.008262 -0.010875 -0.023495 1Rh 3dxy 0.002937 -0.048676 0.000230 0.011424 -0.016207 0.031932 1Rh 4dz2 0.060090 0.005909 -0.036812 0.066779 0.058203 0.067167 1Rh 4dxz -0.019889 -0.065793 0.045722 0.006015 -0.163999 -0.072730 1Rh 4dyz -0.031281 0.128358 -0.004320 -0.041339 -0.005855 -0.049926 1Rh 4dx2y2 0.000660 0.008364 -0.010145 0.021421 0.018973 -0.089460 1Rh 4dxy -0.014380 -0.139186 0.038686 0.065279 -0.028401 0.112345 1Rh 5dz2 -0.205786 -0.175590 0.064394 -0.168382 -0.104064 -0.190587 1Rh 5dxz 0.012242 0.147747 -0.123981 0.046508 0.488948 0.179332 1Rh 5dyz 0.091701 -0.633512 0.008085 0.024685 -0.008881 0.078095 1Rh 5dx2y2 0.133373 -0.060839 0.064973 -0.083480 -0.175391 0.228241 1Rh 5dxy 0.086512 0.224148 -0.116135 -0.202767 0.005772 -0.292060 1Rh 1f0 0.010373 0.004965 0.008931 0.007284 -0.006920 0.000492 1Rh 1f+1 -0.005325 -0.002687 -0.006233 0.003951 -0.002728 -0.005928 1Rh 1f-1 -0.007688 0.001484 0.009621 -0.004472 -0.001570 0.004818 1Rh 1f+2 -0.011757 0.004147 -0.001050 0.015629 0.012384 0.001761 1Rh 1f-2 -0.005459 -0.005718 0.005076 0.002358 0.001161 0.005969 1Rh 1f+3 -0.013854 0.004077 -0.008059 0.003758 0.006286 -0.006391 1Rh 1f-3 -0.004193 -0.007391 -0.011213 -0.000001 -0.000899 0.005490 2C 1s -0.002284 -0.005991 -0.000715 0.000081 -0.001680 0.000407 2C 2s -0.007801 -0.014438 -0.002935 0.001040 -0.001620 0.001747 2C 3s 0.063891 -0.032562 0.041069 -0.040052 -0.153513 -0.033806 2C 4s -0.415598 0.393808 -0.240185 0.405222 1.055608 0.098946 2C 5s 3.074017 5.162974 1.027488 -1.753533 0.044271 0.274691 2C 1pz 0.012785 0.026094 -0.034317 -0.046723 -0.053875 0.015966 2C 1px -0.017378 0.002136 0.028076 0.021198 0.059680 -0.001187 2C 1py 0.017974 0.004348 0.055548 0.054146 0.001769 -0.056284 2C 2pz -0.028527 0.365906 -0.210748 -0.186710 0.197605 0.212444 2C 2px -0.080580 0.136381 0.015286 0.055636 0.348305 0.058091 2C 2py 0.026412 0.193022 0.212200 0.388222 0.269161 -0.218403 2C 3pz 0.669883 1.041798 0.171087 -0.321588 0.038565 0.082163 2C 3px 0.274020 0.977211 0.168707 -0.098080 0.782754 0.213463 2C 3py 0.217141 0.646387 0.130541 -0.045373 0.018064 -0.240985 2C 1dz2 0.001857 0.004322 0.005450 -0.001332 0.003240 0.002287 2C 1dxz 0.002310 -0.001565 -0.001954 0.001800 0.003019 -0.000585 2C 1dyz -0.001055 0.001765 -0.002202 0.001232 0.002644 -0.000693 2C 1dx2y2 0.002152 -0.001654 0.001387 -0.000357 -0.001642 0.000349 2C 1dxy 0.001100 -0.001778 -0.001522 0.001418 0.000015 0.001470 2C 2dz2 -0.021994 -0.008589 -0.048614 0.149951 -0.108468 -0.101711 2C 2dxz 0.125001 0.210544 0.128222 0.109886 -0.176243 -0.189061 2C 2dyz -0.010160 0.080408 0.074232 -0.017855 0.158414 0.047295 2C 2dx2y2 -0.017093 0.096706 0.210767 0.334826 0.381960 -0.164204 2C 2dxy 0.134537 0.296528 -0.108017 -0.382778 -0.022816 0.313619 2C 1f0 -0.008014 -0.005439 0.007180 0.022231 0.013417 -0.015340 2C 1f+1 0.001899 0.009307 -0.005896 -0.009168 0.000353 0.008994 2C 1f-1 0.002887 0.008189 -0.002927 -0.005430 0.000877 0.004092 2C 1f+2 0.000735 -0.001648 -0.003369 -0.002928 -0.017176 -0.002910 2C 1f-2 0.003859 0.010835 -0.000950 0.005849 0.002558 -0.004812 2C 1f+3 0.002125 0.002336 0.005070 0.008674 -0.006913 -0.009624 2C 1f-3 -0.000059 -0.003595 0.002882 -0.000956 0.008725 0.005567 3C 1s -0.003611 0.004033 -0.001185 0.001621 0.001799 -0.002043 3C 2s -0.011673 0.008623 -0.003901 0.005912 0.006262 -0.001877 3C 3s 0.081632 0.076410 0.036776 -0.052313 -0.102463 -0.188444 3C 4s -0.517520 -0.520147 -0.126526 0.249766 0.615030 1.240370 3C 5s 5.044370 -4.066336 0.569526 -2.150293 -2.101600 0.938069 3C 1pz 0.034748 0.005743 0.032018 -0.024072 -0.033886 -0.072004 3C 1px -0.041394 -0.037299 0.069824 -0.055361 0.053774 -0.029915 3C 1py -0.037131 -0.006606 0.032020 0.002747 0.041993 -0.008368 3C 2pz 0.118331 -0.077424 0.187471 -0.155629 -0.013243 -0.126743 3C 2px -0.188402 -0.321445 0.294621 -0.144274 0.290112 0.078846 3C 2py -0.065693 0.304290 0.247996 -0.102822 -0.003781 -0.568356 3C 3pz 0.488596 -0.345292 0.083699 -0.308184 -0.347128 -0.329165 3C 3px 0.444130 -1.307169 0.204094 -0.305841 0.092809 0.306028 3C 3py -0.983484 0.674909 -0.119231 0.360455 0.300830 -0.690582 3C 1dz2 -0.004714 -0.001681 -0.004010 -0.001573 0.001784 0.000600 3C 1dxz -0.001968 -0.001680 -0.000378 0.001176 0.001800 0.003927 3C 1dyz 0.001040 0.004182 0.002221 0.002290 -0.000792 -0.003423 3C 1dx2y2 -0.002995 0.002901 -0.000924 0.002134 -0.000808 -0.003449 3C 1dxy 0.000828 -0.000704 -0.001947 -0.003945 -0.003169 -0.002822 3C 2dz2 -0.067504 -0.044885 0.087916 0.060504 0.019558 -0.174554 3C 2dxz 0.348207 0.089899 -0.406251 0.198715 -0.409453 0.057973 3C 2dyz 0.050450 0.136285 0.006006 -0.080329 -0.053109 -0.187923 3C 2dx2y2 0.093119 -0.233981 -0.133316 0.111217 -0.011334 0.282111 3C 2dxy -0.175922 0.333928 -0.125855 0.213494 0.047541 0.251414 3C 1f0 -0.000809 0.001567 -0.009418 0.009215 -0.001848 0.013339 3C 1f+1 -0.005362 -0.002906 0.008416 -0.000291 0.007646 0.004236 3C 1f-1 -0.009126 -0.000661 0.005368 -0.004509 0.009119 -0.001891 3C 1f+2 -0.000589 0.003087 0.002830 0.001114 -0.005551 -0.015357 3C 1f-2 -0.002489 0.012686 -0.003533 0.001515 -0.004460 -0.009618 3C 1f+3 0.013994 -0.007380 -0.013556 0.006319 -0.012060 0.011335 3C 1f-3 0.013611 0.000889 -0.009255 0.006209 -0.013361 -0.002251 4C 1s -0.002018 0.008085 -0.001606 0.004809 0.003911 -0.004542 4C 2s -0.005124 0.017450 -0.003472 0.011319 0.006628 -0.012164 4C 3s -0.064005 0.041857 -0.078861 0.011037 0.208649 0.092687 4C 4s 0.886765 -0.365995 0.747458 -0.443211 -1.508076 -0.282130 4C 5s -1.051880 -2.653618 0.305041 0.691737 -2.137565 -0.076396 4C 1pz 0.015826 0.027814 0.047030 -0.034306 0.063259 0.052231 4C 1px 0.002822 -0.076419 -0.079649 0.036654 -0.015028 0.006988 4C 1py -0.027913 0.022276 -0.053121 0.020726 0.023064 -0.015033 4C 2pz 0.156002 0.139536 0.159468 -0.285847 -0.270518 0.094719 4C 2px -0.002283 -0.001570 -0.147160 0.476882 0.269989 -0.079699 4C 2py 0.119742 0.071312 0.053273 0.018652 -0.060362 0.026798 4C 3pz 0.718539 3.262916 0.214912 -0.419729 0.186132 -0.138190 4C 3px -1.009331 -1.651378 -0.036449 1.318499 0.257565 -0.671119 4C 3py 0.891990 1.570916 0.502346 -0.001251 0.568173 0.364653 4C 1dz2 0.003626 0.008812 -0.004127 -0.008321 0.002684 0.005217 4C 1dxz -0.008754 -0.004939 0.003420 0.008424 0.013267 -0.001332 4C 1dyz 0.006062 0.011502 0.004147 0.005201 0.005316 -0.003932 4C 1dx2y2 0.004098 -0.009661 0.006002 -0.002484 -0.008657 -0.004352 4C 1dxy -0.001223 -0.002584 0.001844 -0.005114 -0.001064 0.001232 4C 2dz2 -0.234252 -0.201139 -0.219895 -0.180003 -0.275760 0.005697 4C 2dxz -0.058112 0.017598 -0.099143 0.251839 0.139993 -0.140575 4C 2dyz 0.062760 -0.358688 0.186843 0.060635 -0.233813 -0.081998 4C 2dx2y2 0.048667 0.071590 0.083150 0.121115 -0.000937 -0.121309 4C 2dxy 0.074928 0.183683 -0.150772 -0.226639 -0.219578 0.178012 4C 1f0 -0.003257 0.008821 -0.005007 -0.007096 0.006494 0.012443 4C 1f+1 -0.008267 -0.002009 -0.011830 0.005667 0.028029 0.004163 4C 1f-1 -0.006317 0.000468 -0.002024 -0.002246 0.006604 0.004599 4C 1f+2 0.005636 -0.018770 0.006986 -0.011407 -0.021841 -0.002365 4C 1f-2 -0.002040 0.003307 -0.007392 0.007856 0.009329 0.000851 4C 1f+3 0.000170 -0.011261 -0.001818 -0.007165 -0.004606 0.003514 4C 1f-3 -0.012850 -0.004904 -0.006754 0.000376 0.012109 -0.001335 5C 1s -0.000358 -0.005077 -0.002110 -0.001938 0.000759 0.008995 5C 2s -0.001834 -0.009741 -0.005143 -0.004229 0.000981 0.019274 5C 3s -0.055108 -0.135564 -0.039911 0.068759 0.117581 0.212945 5C 4s 0.911917 0.876304 0.620387 -0.629125 -1.004082 -1.860895 5C 5s -1.639991 2.923793 0.397491 0.236132 -0.638342 -3.653638 5C 1pz -0.021671 -0.019039 -0.042893 -0.036668 0.026853 0.030458 5C 1px -0.064446 0.069528 0.027845 0.095060 0.027175 0.027448 5C 1py -0.030167 0.060247 -0.007895 -0.016664 0.004834 -0.034459 5C 2pz 0.252821 -0.023685 -0.111023 -0.154559 -0.197165 -0.167723 5C 2px -0.282526 -0.012943 0.570722 0.183952 0.153906 -0.145626 5C 2py -0.265138 0.017268 0.019833 0.143736 0.205125 0.245396 5C 3pz 2.046503 -1.750749 0.193113 -0.629902 -0.906920 0.738643 5C 3px -0.872052 1.361610 1.062075 -0.176130 0.479845 0.263416 5C 3py -1.510061 2.502131 -0.117917 0.888235 0.683689 -0.647369 5C 1dz2 -0.007676 0.000949 0.000992 -0.000403 0.005972 0.002556 5C 1dxz -0.003743 -0.000025 -0.005179 0.000054 0.004339 0.012754 5C 1dyz -0.009895 0.004868 -0.002035 0.005674 0.003775 -0.003785 5C 1dx2y2 -0.007120 0.016788 0.004558 -0.004055 -0.000086 -0.011554 5C 1dxy 0.008393 0.001366 -0.007413 0.007583 -0.009950 -0.003770 5C 2dz2 0.042624 -0.110466 0.211246 -0.061791 0.088351 -0.012183 5C 2dxz 0.110570 0.062900 -0.163398 0.217201 -0.140002 0.165644 5C 2dyz -0.088077 -0.319834 -0.043623 0.026747 0.186846 0.464329 5C 2dx2y2 0.316196 -0.185514 0.228895 -0.081730 -0.142794 -0.086265 5C 2dxy 0.160409 0.096107 -0.309543 -0.024873 -0.126610 0.315535 5C 1f0 -0.005457 -0.009398 0.008318 0.001132 0.005500 0.001657 5C 1f+1 -0.009007 0.005050 -0.011578 0.002919 0.010616 0.019261 5C 1f-1 -0.001228 -0.002720 0.000928 0.006288 -0.001155 0.003624 5C 1f+2 0.003662 0.011290 0.002045 -0.000202 -0.000388 -0.005324 5C 1f-2 0.010451 0.019971 -0.006462 -0.010528 -0.013667 -0.021254 5C 1f+3 -0.012319 -0.006419 -0.005935 0.009066 0.020150 0.024854 5C 1f-3 0.000310 0.018139 0.012801 -0.005570 -0.003487 -0.030988 6C 1s -0.000725 0.005229 -0.002220 -0.002473 -0.000625 -0.008845 6C 2s -0.002598 0.010115 -0.005356 -0.005314 -0.000633 -0.018914 6C 3s -0.054417 0.129792 -0.043680 0.052364 -0.121500 -0.214251 6C 4s 0.897367 -0.840220 0.650837 -0.494013 1.020092 1.868930 6C 5s -1.535890 -2.957648 0.451941 0.483637 0.633004 3.593000 6C 1pz 0.024752 -0.015668 0.043287 0.039914 0.022727 0.031472 6C 1px 0.059705 0.069745 -0.028232 -0.095569 0.032536 0.027549 6C 1py 0.029448 0.061327 0.007338 0.014535 0.002846 -0.034063 6C 2pz -0.231526 -0.029736 0.104325 0.146341 -0.204254 -0.175046 6C 2px 0.247880 -0.018745 -0.553220 -0.190943 0.170542 -0.129091 6C 2py 0.245069 0.027129 -0.015166 -0.133618 0.210673 0.250738 6C 3pz -1.890566 -1.834534 -0.178531 0.693095 -0.909614 0.698704 6C 3px 0.753869 1.381630 -1.027176 0.129310 0.486333 0.296886 6C 3py 1.307320 2.555184 0.094274 -0.979941 0.698605 -0.621658 6C 1dz2 -0.008088 -0.001083 0.000879 -0.000975 -0.005947 -0.002482 6C 1dxz -0.003547 -0.000134 -0.005317 -0.000497 -0.004221 -0.013062 6C 1dyz -0.008961 -0.005320 -0.002104 0.006009 -0.003905 0.003566 6C 1dx2y2 -0.006448 -0.017092 0.004637 -0.003134 0.000391 0.011429 6C 1dxy 0.008094 -0.001057 -0.006841 0.008128 0.009595 0.003772 6C 2dz2 0.034387 0.112843 0.204165 -0.072753 -0.093721 0.022527 6C 2dxz 0.125824 -0.057239 -0.154903 0.224019 0.127363 -0.171337 6C 2dyz -0.095941 0.315044 -0.051548 -0.005213 -0.185157 -0.466098 6C 2dx2y2 0.300385 0.204763 0.226991 -0.079115 0.136179 0.088410 6C 2dxy 0.155828 -0.095087 -0.300290 -0.026199 0.129907 -0.312540 6C 1f0 0.005502 -0.009234 -0.007999 -0.000541 0.005592 0.001941 6C 1f+1 0.008962 0.005680 0.011498 -0.001825 0.010625 0.019041 6C 1f-1 0.000576 -0.002837 -0.000812 -0.006403 -0.000897 0.003841 6C 1f+2 -0.004169 0.011164 -0.002090 -0.000521 -0.000328 -0.005495 6C 1f-2 -0.010264 0.019790 0.005773 0.008707 -0.014347 -0.021609 6C 1f+3 0.011894 -0.005725 0.006599 -0.007227 0.020442 0.024746 6C 1f-3 -0.000297 0.017692 -0.012882 0.003949 -0.003590 -0.030975 7C 1s -0.002704 -0.008267 -0.001628 0.004562 -0.004034 0.004645 7C 2s -0.006723 -0.017849 -0.003523 0.010888 -0.006920 0.012398 7C 3s -0.066887 -0.042187 -0.078918 -0.001349 -0.207501 -0.094090 7C 4s 0.935902 0.378497 0.748643 -0.351855 1.511410 0.296851 7C 5s -0.888833 2.704404 0.300704 0.795994 2.087714 -0.023930 7C 1pz -0.016136 0.027937 -0.046824 0.037789 0.063438 0.050412 7C 1px -0.002604 -0.080713 0.080756 -0.035867 -0.014347 0.008759 7C 1py 0.026022 0.023481 0.052663 -0.021134 0.022613 -0.013331 7C 2pz -0.157523 0.143345 -0.165227 0.269538 -0.281664 0.073515 7C 2px -0.028975 -0.012327 0.162808 -0.465569 0.289581 -0.038143 7C 2py -0.130537 0.069125 -0.050404 -0.024228 -0.058593 0.029414 7C 3pz -0.619635 3.328601 -0.229483 0.403815 0.152855 -0.232806 7C 3px 1.068618 -1.687330 0.072901 -1.259232 0.301678 -0.553910 7C 3py -0.843615 1.560870 -0.499968 0.044074 0.556026 0.332531 7C 1dz2 0.003041 -0.009234 -0.003976 -0.008523 -0.002156 -0.004750 7C 1dxz -0.009319 0.005124 0.003024 0.007340 -0.013725 0.000892 7C 1dyz 0.005831 -0.011457 0.004137 0.005031 -0.005686 0.004059 7C 1dx2y2 0.004082 0.009958 0.005888 -0.002083 0.008558 0.004443 7C 1dxy -0.001200 0.002504 0.001732 -0.005240 0.001397 -0.001447 7C 2dz2 -0.233203 0.187857 -0.213512 -0.168965 0.296277 -0.009509 7C 2dxz -0.050753 -0.016427 -0.104604 0.249742 -0.149918 0.126093 7C 2dyz 0.071335 0.373985 0.181540 0.072330 0.222954 0.083422 7C 2dx2y2 0.052704 -0.075371 0.079333 0.124670 -0.006465 0.119297 7C 2dxy 0.101303 -0.196864 -0.142880 -0.208394 0.237487 -0.184275 7C 1f0 0.003434 0.009204 0.004686 0.007572 0.005756 0.012424 7C 1f+1 0.009410 -0.002209 0.012184 -0.003584 0.027886 0.004394 7C 1f-1 0.007017 0.000615 0.002001 0.002860 0.006386 0.004183 7C 1f+2 -0.005602 -0.018851 -0.006991 0.010676 -0.022359 -0.002960 7C 1f-2 0.001527 0.003305 0.007659 -0.007375 0.009624 0.001534 7C 1f+3 0.000496 -0.011431 0.001758 0.007381 -0.004986 0.003000 7C 1f-3 0.014294 -0.004840 0.006636 0.000596 0.012049 -0.001653 8C 1s -0.003302 -0.004188 -0.001149 0.001772 -0.001788 0.001953 8C 2s -0.010867 -0.009092 -0.003870 0.006059 -0.006285 0.001627 8C 3s 0.081702 -0.072854 0.039628 -0.039774 0.103481 0.189296 8C 4s -0.528715 0.499662 -0.145495 0.168570 -0.621444 -1.246256 8C 5s 4.727556 4.246052 0.533399 -2.252395 2.135088 -0.838325 8C 1pz -0.030509 0.003473 -0.033673 0.021974 -0.032008 -0.074539 8C 1px 0.042050 -0.035650 -0.065828 0.057369 0.051381 -0.029211 8C 1py 0.036723 -0.006230 -0.030966 -0.000738 0.043091 -0.009135 8C 2pz -0.091853 -0.085565 -0.190334 0.163740 -0.006600 -0.137938 8C 2px 0.202020 -0.315068 -0.274288 0.170017 0.284862 0.080261 8C 2py 0.058875 0.304923 -0.252260 0.076508 -0.002580 -0.570995 8C 3pz -0.462576 -0.357756 -0.090899 0.292632 -0.346894 -0.339393 8C 3px -0.362151 -1.320424 -0.176200 0.368293 0.084971 0.306296 8C 3py 0.933229 0.713114 0.108294 -0.400912 0.307238 -0.666408 8C 1dz2 -0.004640 0.001364 -0.004019 -0.001674 -0.001457 -0.000706 8C 1dxz -0.001916 0.001595 -0.000425 0.000970 -0.001822 -0.003931 8C 1dyz 0.001113 -0.004061 0.002254 0.002489 0.000582 0.003435 8C 1dx2y2 -0.002856 -0.002986 -0.000843 0.002444 0.000762 0.003387 8C 1dxy 0.000811 0.000607 -0.001821 -0.003680 0.003444 0.002840 8C 2dz2 -0.057498 0.037546 0.083244 0.069575 -0.023111 0.177485 8C 2dxz 0.353339 -0.075829 -0.387897 0.218498 0.400329 -0.061227 8C 2dyz 0.041974 -0.137420 0.013365 -0.070325 0.054475 0.191262 8C 2dx2y2 0.098425 0.237760 -0.133830 0.100782 0.010458 -0.286601 8C 2dxy -0.150510 -0.338052 -0.121832 0.219378 -0.054568 -0.258009 8C 1f0 0.000066 0.001593 0.009193 -0.009340 -0.001584 0.013757 8C 1f+1 0.004972 -0.002675 -0.007982 0.000752 0.007520 0.004030 8C 1f-1 0.009634 -0.000217 -0.005302 0.005087 0.008884 -0.002114 8C 1f+2 0.000562 0.002892 -0.003052 -0.001784 -0.005394 -0.015380 8C 1f-2 0.001879 0.012682 0.003250 -0.002447 -0.004556 -0.009622 8C 1f+3 -0.013659 -0.007999 0.013000 -0.006240 -0.011745 0.011337 8C 1f-3 -0.013421 0.000303 0.008606 -0.006863 -0.013062 -0.002473 9C 1s -0.002217 0.006051 -0.000689 0.000103 0.001662 -0.000537 9C 2s -0.007713 0.014602 -0.002877 0.000945 0.001553 -0.002106 9C 3s 0.069653 0.032495 0.041200 -0.030478 0.155239 0.035659 9C 4s -0.453929 -0.390490 -0.243900 0.340646 -1.071966 -0.119564 9C 5s 2.942090 -5.271701 1.045338 -1.711405 0.051793 -0.043848 9C 1pz -0.013250 0.028346 0.032700 0.044025 -0.059077 0.014711 9C 1px 0.017654 0.002082 -0.025405 -0.014837 0.060539 0.003671 9C 1py -0.016359 0.001626 -0.054266 -0.054881 0.007869 -0.056456 9C 2pz 0.038106 0.379222 0.205775 0.199937 0.171655 0.208699 9C 2px 0.081682 0.138180 -0.004533 -0.023137 0.348264 0.072693 9C 2py -0.011882 0.180170 -0.205347 -0.379661 0.309017 -0.220994 9C 3pz -0.645817 1.048792 -0.179404 0.319178 0.004707 0.042721 9C 3px -0.262253 0.986729 -0.164847 0.144592 0.787322 0.202931 9C 3py -0.166595 0.678138 -0.125522 0.039477 0.034203 -0.270096 9C 1dz2 0.001898 -0.004131 0.005465 -0.001466 -0.003358 -0.002111 9C 1dxz 0.002078 0.001731 -0.001994 0.001505 -0.003110 0.000562 9C 1dyz -0.001292 -0.001967 -0.002216 0.001072 -0.002638 0.000664 9C 1dx2y2 0.002328 0.001787 0.001364 -0.000237 0.001550 -0.000222 9C 1dxy 0.000935 0.001882 -0.001573 0.001311 -0.000032 -0.001473 9C 2dz2 -0.017063 0.015515 -0.048140 0.158134 0.100526 0.099277 9C 2dxz 0.129050 -0.210286 0.130191 0.134818 0.167444 0.201303 9C 2dyz -0.016431 -0.081745 0.070196 -0.028071 -0.157692 -0.043464 9C 2dx2y2 -0.021089 -0.084727 0.204330 0.321536 -0.411083 0.158979 9C 2dxy 0.149414 -0.314246 -0.092604 -0.374287 0.044144 -0.306981 9C 1f0 0.008641 -0.005916 -0.006700 -0.021515 0.014968 -0.014854 9C 1f+1 -0.002065 0.009591 0.005585 0.008839 -0.000141 0.008772 9C 1f-1 -0.002490 0.008447 0.002755 0.005586 0.000366 0.003853 9C 1f+2 -0.001321 -0.001573 0.003037 0.001754 -0.017590 -0.002987 9C 1f-2 -0.003811 0.010888 0.000813 -0.006020 0.002722 -0.004992 9C 1f+3 -0.002409 0.002194 -0.004924 -0.009553 -0.006279 -0.010052 9C 1f-3 0.000138 -0.003736 -0.002784 0.001676 0.008507 0.005580 10H 1s -0.010199 -0.016107 -0.002422 0.010766 -0.001446 -0.005572 10H 2s 0.028835 -0.123709 -0.223962 -0.222677 -0.813061 -0.031085 10H 3s -0.300528 -0.573432 -0.050286 0.216143 -0.071165 -0.149143 10H 1pz 0.006122 0.009864 -0.000538 -0.015647 -0.012578 0.006733 10H 1px -0.014824 -0.006876 0.005044 0.024566 0.062675 0.001495 10H 1py 0.003904 0.009921 0.008579 0.009964 0.000247 -0.003858 11H 1s -0.010349 -0.005451 -0.007290 0.007123 0.001178 -0.011994 11H 2s -0.246489 -0.068465 -0.342214 -0.427905 0.151709 0.461380 11H 3s -0.270986 -0.174815 -0.007484 0.434727 0.469651 -0.100555 11H 1pz 0.001113 -0.000600 -0.010120 -0.037156 -0.008585 0.028776 11H 1px -0.003053 -0.008701 -0.009353 -0.017349 0.013111 0.026335 11H 1py 0.001458 -0.021007 0.012130 0.025602 -0.007632 -0.015658 12H 1s -0.005956 -0.011852 -0.002616 0.006965 0.000357 0.000550 12H 2s -0.240944 -0.321521 0.401417 0.881203 0.341772 -0.567087 12H 3s -0.399072 -0.254019 -0.258116 0.153290 0.246406 0.041842 12H 1pz -0.003216 0.008153 -0.019232 -0.026540 -0.019469 0.014008 12H 1px -0.013733 -0.003380 0.000004 0.020678 0.006226 -0.018022 12H 1py -0.003796 -0.008505 0.025341 0.049254 0.009090 -0.032165 13H 1s -0.015683 0.015141 0.003087 -0.000753 0.004256 -0.004159 13H 2s 0.299803 0.479394 -0.407727 0.139168 -0.567344 -0.416411 13H 3s -0.505423 0.480744 -0.034997 0.131011 0.260010 -0.033117 13H 1pz 0.029191 0.006408 -0.009280 -0.008450 -0.030092 -0.031156 13H 1px -0.031412 -0.019888 0.027847 -0.001303 0.041208 0.025738 13H 1py -0.006318 0.003721 0.008197 -0.002780 0.003374 0.000864 14H 1s -0.007581 0.005027 -0.001209 0.001732 0.000370 -0.000611 14H 2s -0.600858 -0.028002 0.748641 -0.361295 0.520746 -0.624882 14H 3s -0.432605 0.019319 -0.102536 0.283369 0.227438 0.290160 14H 1pz -0.007551 0.010366 0.029854 -0.019014 0.008047 -0.030264 14H 1px -0.030847 -0.003832 0.043238 -0.017775 0.027400 -0.033577 14H 1py 0.002106 -0.015409 0.029792 -0.017260 0.006541 -0.019102 15H 1s -0.014507 0.013406 -0.003492 0.004132 0.012660 0.002716 15H 2s -0.289151 0.054877 -0.375966 0.361488 0.099751 0.573682 15H 3s -0.614907 0.153503 0.093059 0.222800 0.480016 0.418095 15H 1pz 0.005699 0.001991 0.015991 -0.016224 -0.005970 -0.041031 15H 1px -0.010649 0.011093 0.012402 0.007270 0.002206 0.001617 15H 1py -0.008996 0.015446 0.021808 -0.019628 0.019557 -0.009288 16H 1s 0.002491 -0.007742 -0.009543 0.000406 -0.007718 -0.002468 16H 2s 0.155158 0.055550 0.092739 -0.040935 0.265477 -0.004941 16H 3s -0.047980 0.094608 0.221948 -0.136740 0.255458 -0.007706 16H 1pz 0.003456 0.016520 0.012958 -0.013115 0.009844 0.006767 16H 1px -0.017517 -0.009614 -0.016636 -0.011578 -0.016629 -0.004163 16H 1py 0.003707 0.004938 0.008529 0.013953 0.032143 -0.010596 17H 1s 0.000446 -0.003976 -0.003543 0.003408 0.010858 0.009203 17H 2s 0.018588 -0.024963 0.027339 0.048934 0.137977 -0.104909 17H 3s 0.045449 0.043137 0.040941 0.197212 0.069551 -0.146161 17H 1pz -0.009541 0.008233 0.011116 -0.007349 0.002327 -0.002667 17H 1px 0.012568 -0.001487 -0.002338 0.002996 0.020274 0.015631 17H 1py 0.004691 0.004364 0.019186 0.004012 0.024286 -0.014586 18H 1s 0.000782 0.003140 -0.003902 0.002528 -0.011236 -0.009441 18H 2s 0.030067 0.023399 0.017774 0.042708 -0.145548 0.108683 18H 3s 0.064940 -0.028829 0.029198 0.200461 -0.079055 0.142823 18H 1pz 0.009899 0.008536 -0.010583 0.006549 0.001471 -0.003064 18H 1px -0.012702 -0.000914 0.003140 -0.001846 0.020092 0.016998 18H 1py -0.005665 0.004275 -0.017998 -0.003482 0.025341 -0.014728 19H 1s 0.003639 0.008490 -0.009758 0.001231 0.007341 0.002235 19H 2s 0.165398 -0.059084 0.083245 -0.050581 -0.268021 0.005161 19H 3s -0.039074 -0.100576 0.219690 -0.138632 -0.255854 0.012855 19H 1pz -0.002216 0.017289 -0.012744 0.014462 0.008297 0.007268 19H 1px 0.016700 -0.010728 0.016455 0.010145 -0.016909 -0.004198 19H 1py -0.005355 0.004770 -0.007402 -0.013187 0.033582 -0.011280 20H 1s -0.014304 -0.014266 -0.003505 0.003757 -0.012617 -0.003066 20H 2s -0.251910 -0.067647 -0.382581 0.352950 -0.096312 -0.596534 20H 3s -0.598130 -0.168168 0.085423 0.189735 -0.487154 -0.420758 20H 1pz -0.004241 0.002023 -0.016691 0.015059 -0.005747 -0.042065 20H 1px 0.008740 0.010992 -0.011758 -0.008101 0.002537 0.002171 20H 1py 0.010459 0.015957 -0.021750 0.020379 0.019133 -0.009613 21H 1s -0.007528 -0.005391 -0.001004 0.002105 -0.000487 0.000423 21H 2s -0.612662 0.007921 0.722921 -0.371092 -0.513056 0.626587 21H 3s -0.415891 -0.039363 -0.104694 0.272819 -0.234286 -0.310302 21H 1pz 0.008146 0.010134 -0.029509 0.018732 0.007726 -0.030940 21H 1px 0.031963 -0.002735 -0.041517 0.018522 0.027100 -0.033648 21H 1py -0.001255 -0.015618 -0.028927 0.017228 0.006449 -0.019023 22H 1s -0.014647 -0.015901 0.003258 0.000042 -0.004007 0.003662 22H 2s 0.299230 -0.465907 -0.370909 0.183974 0.554942 0.422790 22H 3s -0.463932 -0.502007 -0.031144 0.141223 -0.259479 0.028484 22H 1pz -0.027004 0.004996 0.007576 0.006822 -0.029561 -0.031711 22H 1px 0.031548 -0.018706 -0.025689 0.004111 0.041062 0.026691 22H 1py 0.006509 0.004177 -0.008339 0.002889 0.003727 0.000635 23H 1s -0.006480 0.012336 -0.002614 0.006482 -0.000629 -0.001321 23H 2s -0.255393 0.353644 0.378478 0.858763 -0.415635 0.542118 23H 3s -0.413949 0.253099 -0.261170 0.131825 -0.253104 -0.066588 23H 1pz 0.001362 0.008878 0.018260 0.025055 -0.022135 0.013379 23H 1px 0.014087 -0.004033 0.000885 -0.019916 0.007460 -0.017183 23H 1py 0.003797 -0.010073 -0.024201 -0.049302 0.013430 -0.032042 24H 1s -0.010292 0.005633 -0.007113 0.006964 -0.001271 0.011047 24H 2s -0.233546 0.054415 -0.339050 -0.458075 -0.102416 -0.486813 24H 3s -0.270907 0.196724 -0.009606 0.404155 -0.495356 0.073297 24H 1pz -0.001735 0.000272 0.010167 0.036922 -0.011337 0.027762 24H 1px 0.002566 -0.008070 0.009889 0.020200 0.011147 0.027744 24H 1py -0.000651 -0.022112 -0.011571 -0.025944 -0.004970 -0.015926 25H 1s -0.009979 0.016453 -0.002490 0.010606 0.000961 0.004288 25H 2s 0.043885 0.119834 -0.203658 -0.160536 0.834125 0.049998 25H 3s -0.295309 0.587055 -0.053856 0.214050 0.063709 0.125560 25H 1pz -0.006958 0.010955 0.000075 0.014839 -0.014275 0.006507 25H 1px 0.016170 -0.007382 -0.003571 -0.019188 0.064183 0.004007 25H 1py -0.003869 0.009301 -0.008715 -0.010927 0.002200 -0.004174 26O 1s -0.006590 0.000441 0.002293 -0.005954 0.000441 -0.001651 26O 2s -0.015340 -0.000260 0.004880 -0.013351 0.001685 -0.003222 26O 3s 0.017698 0.026507 0.007319 0.000659 -0.016868 -0.009953 26O 4s 0.153625 -0.197852 -0.117277 0.259828 0.012303 0.098313 26O 5s -0.601392 0.698388 -0.040860 -1.223053 0.345646 0.027183 26O 1pz 0.008104 0.017133 -0.046636 -0.001273 0.006635 -0.000328 26O 1px -0.011138 -0.061465 -0.055272 0.019715 -0.010540 0.004514 26O 1py 0.035501 -0.009188 -0.049181 0.009916 0.008129 0.050073 26O 2pz 0.012151 0.141359 -0.093235 -0.029274 0.003367 -0.009356 26O 2px 0.041044 -0.076499 -0.070458 0.094673 -0.034516 -0.019506 26O 2py 0.133672 0.053941 -0.061883 -0.008923 0.007534 0.130890 26O 3pz -0.006512 -0.873212 0.441219 0.138280 -0.014602 0.067012 26O 3px 0.384882 0.335615 0.447937 0.071054 -0.367005 0.000397 26O 3py -0.488637 -0.562651 0.387217 0.555701 -0.144140 -0.846361 26O 1dz2 -0.002748 0.002082 -0.003518 -0.003840 -0.001798 0.002165 26O 1dxz 0.000711 0.001708 0.001161 -0.002395 0.000666 0.003563 26O 1dyz 0.001028 0.001612 0.000858 -0.000160 -0.000833 0.001270 26O 1dx2y2 0.003903 0.001536 -0.001300 -0.003977 -0.004482 0.004009 26O 1dxy -0.000453 -0.001647 0.002103 0.006060 0.001202 -0.004589 26O 2dz2 0.000445 0.031526 0.004587 -0.001509 -0.019226 -0.018012 26O 2dxz -0.005912 -0.008481 -0.018297 0.001715 0.021284 0.000469 26O 2dyz -0.013086 -0.005256 0.029948 -0.022525 -0.000098 0.016296 26O 2dx2y2 -0.022048 0.011382 -0.027001 -0.008267 0.002415 0.009753 26O 2dxy -0.023325 -0.015319 -0.015219 -0.003946 0.027655 -0.001705 26O 1f0 -0.000294 -0.001750 -0.000095 0.002611 -0.000283 -0.001764 26O 1f+1 -0.000920 0.000217 -0.000172 0.001113 0.003461 -0.000105 26O 1f-1 -0.001693 -0.003878 0.000625 -0.000185 -0.000375 -0.000288 26O 1f+2 0.001868 0.002921 0.001634 0.000410 0.000399 0.000789 26O 1f-2 -0.000498 0.000367 0.000471 -0.000239 0.001170 0.000856 26O 1f+3 -0.001487 0.000573 -0.000434 0.001772 0.002679 -0.001193 26O 1f-3 -0.000417 0.000111 -0.002387 -0.003190 0.001080 0.002504 27O 1s -0.005063 0.000920 -0.009626 -0.004408 0.001273 0.008813 27O 2s -0.011555 0.003259 -0.021498 -0.009728 0.003703 0.020291 27O 3s 0.010053 -0.022165 0.004599 -0.004709 -0.019174 -0.019096 27O 4s 0.096241 0.150658 0.407854 0.201748 0.018029 -0.326470 27O 5s -0.187610 -1.125451 -1.988915 -0.190688 0.238660 1.780369 27O 1pz 0.040858 -0.037460 0.007251 0.016157 -0.019445 0.034968 27O 1px -0.023878 0.039899 0.008973 0.086517 0.010725 0.004640 27O 1py 0.010048 0.010286 0.002971 -0.077258 -0.030290 -0.015120 27O 2pz 0.145183 -0.110619 -0.014748 0.034027 -0.079602 0.096954 27O 2px 0.026451 0.067075 0.129002 0.140345 -0.017590 -0.108985 27O 2py -0.005778 0.100636 0.033804 -0.126137 -0.042197 -0.021033 27O 3pz -0.823067 0.451512 0.146844 -0.325796 0.645080 -0.345671 27O 3px -0.041881 0.151483 0.847280 -0.643512 -0.264608 -1.096618 27O 3py 0.066651 -0.925208 -0.366929 0.503279 0.248637 0.287972 27O 1dz2 -0.000387 0.000035 -0.002532 0.000341 0.000845 0.002857 27O 1dxz -0.007756 -0.001515 0.002870 -0.002535 0.005486 -0.000657 27O 1dyz 0.002545 0.001540 -0.001687 -0.001809 0.000604 0.003984 27O 1dx2y2 -0.002030 0.001469 0.009261 -0.002251 0.001506 -0.008398 27O 1dxy -0.003303 -0.002100 -0.001289 0.000585 0.004519 -0.002108 27O 2dz2 0.049963 0.002990 0.046789 -0.001290 -0.029479 -0.040367 27O 2dxz -0.006083 0.000319 0.010617 0.003190 0.014004 -0.007511 27O 2dyz -0.014399 0.009202 0.009572 0.021157 0.020005 0.021699 27O 2dx2y2 0.005311 -0.000865 -0.008664 0.028061 0.014100 0.040575 27O 2dxy -0.001194 -0.004607 0.016987 -0.006843 -0.015594 -0.033159 27O 1f0 0.002211 -0.001516 0.000532 0.002170 -0.001644 -0.000408 27O 1f+1 0.001317 -0.001399 -0.003261 0.001763 0.000049 0.004510 27O 1f-1 -0.000755 -0.000721 0.001506 -0.001160 0.000210 0.000083 27O 1f+2 -0.000714 -0.003875 0.000395 -0.000163 0.001221 0.001449 27O 1f-2 0.001734 -0.001169 0.001203 0.000455 -0.001635 -0.001694 27O 1f+3 0.000247 -0.000619 -0.001437 0.000474 0.001630 0.004536 27O 1f-3 0.003392 -0.001527 -0.000762 -0.000225 -0.002479 0.000691 28O 1s 0.004746 0.003077 -0.004345 0.009437 0.010150 -0.003286 28O 2s 0.010478 0.008255 -0.009681 0.021179 0.024189 -0.006195 28O 3s 0.004518 -0.030330 0.004481 -0.004589 -0.034361 -0.022647 28O 4s -0.156122 0.059977 0.183424 -0.401674 -0.293108 0.245428 28O 5s -0.282273 -1.038753 -1.060618 1.701269 1.573424 -0.733334 28O 1pz -0.081156 -0.004574 0.059343 0.001630 0.040323 0.009005 28O 1px 0.003730 -0.015159 -0.021631 0.040489 -0.005018 -0.023325 28O 1py -0.000950 -0.022455 0.017608 -0.026499 0.039931 0.033913 28O 2pz -0.199938 -0.093239 0.114572 0.007031 0.029823 0.004315 28O 2px -0.034383 -0.029776 -0.091340 0.176482 0.111562 -0.062162 28O 2py 0.008381 -0.086200 0.047106 -0.024259 0.114608 0.068846 28O 3pz 1.389205 0.715167 0.301740 -0.707813 -0.973297 0.047748 28O 3px -0.196661 0.166152 -0.222930 0.281569 0.825391 0.080973 28O 3py 0.236378 0.688004 -0.362110 -0.340377 -0.809370 -0.118901 28O 1dz2 0.006408 -0.001098 0.004644 0.004615 0.004582 -0.002165 28O 1dxz -0.006204 -0.002476 -0.004315 0.006853 0.005352 -0.000851 28O 1dyz -0.002497 -0.000376 -0.002645 -0.005905 -0.002519 0.001903 28O 1dx2y2 0.001799 -0.002551 0.001948 -0.003075 -0.007772 0.000502 28O 1dxy 0.000329 -0.007201 0.005240 0.005519 0.001802 -0.002472 28O 2dz2 -0.026084 0.000137 -0.022519 0.025132 0.009372 -0.014298 28O 2dxz -0.005861 -0.027906 -0.006230 -0.018983 -0.065547 -0.018009 28O 2dyz -0.002566 -0.028800 -0.025712 0.006343 0.002480 0.015508 28O 2dx2y2 -0.037693 0.007448 -0.029834 0.016448 0.027957 -0.003069 28O 2dxy 0.015505 -0.029018 0.001860 0.014538 -0.006181 -0.010784 28O 1f0 -0.000174 0.001810 -0.000422 0.000028 0.003324 0.000882 28O 1f+1 -0.001814 0.001528 -0.001971 -0.000694 -0.000086 0.000662 28O 1f-1 0.000736 0.003504 -0.001947 0.000631 -0.000049 0.000454 28O 1f+2 0.000282 -0.002850 0.001017 -0.002628 -0.004427 -0.000829 28O 1f-2 0.000821 -0.001548 0.001633 0.001009 -0.000070 -0.000525 28O 1f+3 0.000125 -0.000520 0.000784 -0.001301 -0.003563 -0.000454 28O 1f-3 0.001126 -0.000406 0.002092 0.001547 0.001127 -0.000445 29O 1s -0.006603 -0.000783 -0.004017 0.001330 -0.004705 0.001160 29O 2s -0.015617 -0.002242 -0.010096 0.003554 -0.009560 0.002421 29O 3s 0.013441 0.010315 0.020279 -0.010084 -0.016469 0.001699 29O 4s 0.197811 -0.008970 0.075494 0.001403 0.295088 -0.064800 29O 5s -0.322172 -0.046318 -0.183403 -0.063359 -0.702626 0.193483 29O 1pz 0.021067 -0.009221 -0.009641 0.018428 0.007387 0.009047 29O 1px -0.046992 0.005728 -0.015419 0.027304 -0.001253 -0.004944 29O 1py -0.007246 0.007988 -0.014225 -0.002893 -0.016398 -0.007256 29O 2pz 0.025499 -0.002227 -0.021988 0.038249 0.021612 0.004945 29O 2px -0.084489 0.015131 -0.027584 0.044855 -0.044835 0.004746 29O 2py -0.001252 0.011659 -0.017165 -0.010346 -0.024904 -0.006769 29O 3pz 0.147236 0.072996 0.150899 -0.206525 0.205787 0.115942 29O 3px 0.235826 -0.051482 -0.003235 -0.139915 0.072707 0.085513 29O 3py 0.041928 -0.030652 0.096067 -0.007675 0.231454 -0.074329 29O 1dz2 -0.000106 0.001168 0.001739 -0.000896 0.001297 -0.000925 29O 1dxz 0.001549 -0.000311 -0.000493 0.001823 0.001799 0.000278 29O 1dyz 0.001422 0.000656 0.000938 -0.000867 0.001214 0.001025 29O 1dx2y2 0.001113 -0.000179 -0.000083 0.000934 0.001247 0.000157 29O 1dxy 0.000581 -0.000122 -0.000790 -0.002204 -0.000942 0.000180 29O 2dz2 0.002105 -0.014299 -0.008676 0.005778 -0.017891 -0.018022 29O 2dxz 0.015522 0.009326 0.026380 -0.010482 0.027588 0.025363 29O 2dyz 0.001383 -0.011430 -0.002016 -0.008884 -0.014053 0.003921 29O 2dx2y2 -0.002779 -0.005073 0.003123 -0.002593 0.043717 0.001356 29O 2dxy -0.011665 0.020743 0.022409 0.016186 0.009750 -0.024441 29O 1f0 0.000434 0.000766 0.001449 -0.000184 0.001729 -0.000552 29O 1f+1 -0.000643 0.000408 0.000132 0.000002 0.000465 0.001000 29O 1f-1 -0.000153 0.001800 0.001389 -0.000285 0.001578 -0.000046 29O 1f+2 -0.000891 -0.001029 -0.001787 0.000516 -0.001818 -0.000320 29O 1f-2 -0.000016 0.000259 0.000281 0.000767 -0.000743 -0.001930 29O 1f+3 -0.000910 -0.000529 -0.000607 -0.000102 0.000425 0.001033 29O 1f-3 -0.000850 0.001071 0.000634 0.000875 0.000855 -0.000033 30O 1s -0.000076 -0.004516 0.008786 0.007321 0.002423 0.006400 30O 2s -0.000066 -0.011981 0.019858 0.016261 0.005528 0.015104 30O 3s 0.000648 0.042596 -0.004221 -0.002927 -0.006081 -0.021334 30O 4s 0.088356 -0.047577 -0.334648 -0.303473 -0.124304 -0.227702 30O 5s -1.480740 0.533430 1.023939 1.501936 1.315168 1.458916 30O 1pz -0.011954 -0.035778 -0.039060 -0.035390 0.017273 0.020565 30O 1px -0.005739 0.021514 0.029832 0.016988 -0.001806 0.025604 30O 1py 0.078705 0.002894 0.005309 0.036421 -0.057929 -0.020023 30O 2pz 0.002494 -0.017050 -0.061730 -0.089375 0.003176 0.007122 30O 2px -0.085099 -0.001096 0.127119 0.093820 0.082711 0.134619 30O 2py 0.204386 -0.095455 0.019729 0.078948 -0.123200 -0.024998 30O 3pz 0.700470 0.101638 -0.354215 -0.013513 -0.747533 -0.422166 30O 3px -0.405964 -0.441047 -0.196106 0.331417 0.389720 0.480461 30O 3py -1.775645 0.476317 -0.094600 0.281393 1.203833 0.997035 30O 1dz2 0.001522 -0.000792 -0.007510 0.004679 -0.001101 0.007646 30O 1dxz -0.004109 -0.002224 0.005675 0.001592 0.005529 0.000514 30O 1dyz -0.006155 -0.002733 0.003817 0.000396 0.002884 0.002353 30O 1dx2y2 0.001192 0.004384 -0.002850 0.000114 -0.003819 -0.002958 30O 1dxy 0.009383 -0.003476 0.003038 -0.004351 -0.004521 -0.005994 30O 2dz2 0.033457 -0.023275 -0.001060 -0.006838 -0.032880 0.001575 30O 2dxz 0.022200 0.020584 0.013581 -0.010915 -0.027317 -0.043476 30O 2dyz 0.024961 0.009151 -0.020078 -0.046192 -0.012562 -0.021865 30O 2dx2y2 0.015913 -0.014820 0.008575 0.000695 -0.003892 -0.006939 30O 2dxy -0.008912 -0.052383 0.011254 -0.014219 0.016246 0.031085 30O 1f0 -0.001989 -0.000326 -0.000019 -0.000180 0.002356 0.003029 30O 1f+1 0.000904 -0.002236 0.003162 -0.000852 -0.000065 -0.001526 30O 1f-1 0.001051 0.001142 0.000398 0.000283 -0.000139 -0.001518 30O 1f+2 -0.000448 0.004620 -0.001953 -0.001103 -0.000698 -0.002056 30O 1f-2 0.000670 0.003076 -0.001636 -0.000951 -0.000572 -0.001113 30O 1f+3 -0.000203 0.000062 -0.001482 0.000234 -0.001238 -0.000382 30O 1f-3 0.000182 0.002309 0.001117 -0.001613 -0.000918 -0.004717 31O 1s 0.000204 0.004803 0.008598 0.007060 -0.003029 -0.006782 31O 2s 0.000379 0.012617 0.019409 0.015569 -0.006898 -0.015973 31O 3s 0.003916 -0.042385 -0.003492 -0.000280 0.006622 0.021718 31O 4s 0.054933 0.038045 -0.329157 -0.302335 0.146363 0.241813 31O 5s -1.272196 -0.555944 0.981310 1.459850 -1.395602 -1.517770 31O 1pz 0.009735 -0.033876 0.041023 0.036494 0.013306 0.021167 31O 1px 0.003832 0.022074 -0.029596 -0.017826 0.000082 0.025630 31O 1py -0.077405 -0.002024 -0.006940 -0.040033 -0.054288 -0.020766 31O 2pz -0.004343 -0.014834 0.064688 0.087791 -0.004824 0.006594 31O 2px 0.075520 0.001462 -0.122362 -0.089433 0.090171 0.138802 31O 2py -0.203156 -0.106736 -0.022204 -0.083375 -0.115089 -0.026525 31O 3pz -0.650078 0.072627 0.308992 -0.021047 -0.739916 -0.429657 31O 3px 0.378635 -0.434317 0.205079 -0.287896 0.395958 0.485184 31O 3py 1.698235 0.546836 0.127236 -0.225254 1.193071 1.028259 31O 1dz2 0.001617 0.000732 -0.007334 0.004528 0.001014 -0.007824 31O 1dxz -0.003902 0.002190 0.005337 0.001294 -0.005658 -0.000590 31O 1dyz -0.006008 0.002636 0.003650 0.000102 -0.002922 -0.002391 31O 1dx2y2 0.001324 -0.004517 -0.002637 0.000502 0.003867 0.002870 31O 1dxy 0.008730 0.003770 0.003112 -0.004192 0.004540 0.006295 31O 2dz2 0.032836 0.024403 -0.000271 -0.005746 0.032510 -0.001106 31O 2dxz 0.021115 -0.018089 0.014571 -0.007956 0.026707 0.044895 31O 2dyz 0.023326 -0.009822 -0.019500 -0.044907 0.015643 0.022820 31O 2dx2y2 0.016586 0.016381 0.008027 0.001070 0.003030 0.007051 31O 2dxy -0.009192 0.051844 0.009886 -0.017384 -0.015925 -0.030822 31O 1f0 0.001784 -0.000176 0.000118 0.000327 0.002308 0.003063 31O 1f+1 -0.000853 -0.002300 -0.003098 0.000870 -0.000011 -0.001587 31O 1f-1 -0.001108 0.001094 -0.000396 -0.000365 -0.000099 -0.001512 31O 1f+2 0.000245 0.004675 0.001874 0.000850 -0.000823 -0.002055 31O 1f-2 -0.000667 0.003048 0.001584 0.000807 -0.000698 -0.001157 31O 1f+3 0.000203 0.000123 0.001409 -0.000298 -0.001279 -0.000291 31O 1f-3 -0.000201 0.002243 -0.001140 0.001365 -0.000999 -0.004802 32O 1s -0.006503 0.000728 -0.003834 0.001584 0.004814 -0.001377 32O 2s -0.015349 0.002085 -0.009718 0.004112 0.009795 -0.002939 32O 3s 0.012752 -0.009717 0.020818 -0.009931 0.016611 -0.001162 32O 4s 0.197895 0.007651 0.064645 -0.010654 -0.301145 0.071218 32O 5s -0.322773 0.053212 -0.159230 -0.035241 0.719565 -0.206243 32O 1pz -0.020963 -0.010533 0.010365 -0.016819 0.008504 0.009410 32O 1px 0.045630 0.005379 0.014927 -0.028494 -0.001079 -0.003869 32O 1py 0.008839 0.008251 0.013250 0.001437 -0.017379 -0.007325 32O 2pz -0.024932 -0.003820 0.024284 -0.035345 0.023164 0.005126 32O 2px 0.082988 0.014123 0.025366 -0.048653 -0.044571 0.006830 32O 2py 0.004861 0.011369 0.015765 0.008627 -0.025894 -0.006759 32O 3pz -0.152813 0.081307 -0.152136 0.209064 0.193966 0.117566 32O 3px -0.211944 -0.045497 0.001838 0.151159 0.063771 0.080564 32O 3py -0.060889 -0.020330 -0.086759 0.021835 0.238633 -0.074933 32O 1dz2 -0.000057 -0.001167 0.001652 -0.000813 -0.001279 0.000986 32O 1dxz 0.001607 0.000331 -0.000599 0.001713 -0.001888 -0.000233 32O 1dyz 0.001499 -0.000681 0.000976 -0.000901 -0.001295 -0.001039 32O 1dx2y2 0.001072 0.000251 -0.000134 0.000897 -0.001300 -0.000125 32O 1dxy 0.000407 0.000034 -0.000714 -0.002126 0.001095 -0.000142 32O 2dz2 0.003423 0.015027 -0.008778 0.008016 0.016085 0.018883 32O 2dxz 0.014229 -0.010780 0.026160 -0.012515 -0.027463 -0.026695 32O 2dyz 0.000920 0.011838 -0.001300 -0.008478 0.013660 -0.003968 32O 2dx2y2 -0.001329 0.004328 0.001204 -0.004009 -0.043343 -0.001979 32O 2dxy -0.010540 -0.021190 0.022786 0.016517 -0.011474 0.024663 32O 1f0 -0.000422 0.000681 -0.001323 0.000247 0.001673 -0.000564 32O 1f+1 0.000693 0.000457 -0.000112 0.000077 0.000408 0.001145 32O 1f-1 0.000225 0.001899 -0.001390 0.000363 0.001583 -0.000110 32O 1f+2 0.000817 -0.001108 0.001793 -0.000643 -0.001834 -0.000298 32O 1f-2 -0.000062 0.000139 -0.000254 -0.000865 -0.000730 -0.001956 32O 1f+3 0.000879 -0.000488 0.000632 0.000103 0.000358 0.001032 32O 1f-3 0.000810 0.001088 -0.000661 -0.000862 0.000943 -0.000010 33O 1s 0.004737 -0.003179 -0.004397 0.009049 -0.010545 0.002470 33O 2s 0.010414 -0.008483 -0.009781 0.020206 -0.025074 0.004395 33O 3s 0.005299 0.030388 0.004258 -0.002333 0.034364 0.022352 33O 4s -0.158801 -0.058088 0.187919 -0.393124 0.310641 -0.207573 33O 5s -0.280912 1.058711 -1.096001 1.615121 -1.634668 0.568095 33O 1pz 0.080744 -0.004891 -0.058873 0.001221 0.042090 0.010392 33O 1px -0.001941 -0.016696 0.021334 -0.040386 -0.003469 -0.021309 33O 1py 0.003044 -0.023535 -0.016629 0.030560 0.038642 0.034781 33O 2pz 0.205497 -0.094982 -0.114010 -0.000238 0.033115 0.006386 33O 2px 0.038815 -0.031958 0.092856 -0.168939 0.117409 -0.049349 33O 2py 0.000668 -0.091650 -0.043696 0.037079 0.113483 0.072366 33O 3pz -1.424262 0.731052 -0.320445 0.617300 -0.993947 -0.025258 33O 3px 0.165170 0.157322 0.241126 -0.250426 0.843244 0.095863 33O 3py -0.290209 0.731596 0.332096 0.261043 -0.834525 -0.140082 33O 1dz2 0.006264 0.001469 0.004447 0.004404 -0.005105 0.002355 33O 1dxz -0.006239 0.002538 -0.004453 0.006418 -0.005518 0.000222 33O 1dyz -0.002366 0.000030 -0.002511 -0.005802 0.002960 -0.001845 33O 1dx2y2 0.001782 0.002534 0.002118 -0.002692 0.007930 -0.000353 33O 1dxy 0.000053 0.007660 0.005005 0.005284 -0.002292 0.002396 33O 2dz2 -0.025631 -0.000742 -0.022316 0.025190 -0.009736 0.013061 33O 2dxz -0.006536 0.026748 -0.005465 -0.015766 0.067089 0.019442 33O 2dyz -0.003088 0.029643 -0.025897 0.005434 -0.002153 -0.016581 33O 2dx2y2 -0.036382 -0.009529 -0.029837 0.015463 -0.027499 0.001622 33O 2dxy 0.015084 0.030390 0.001245 0.014545 0.005283 0.010582 33O 1f0 0.000163 0.001821 0.000444 0.000129 0.003338 0.000910 33O 1f+1 0.001650 0.001689 0.001901 0.000628 -0.000257 0.000788 33O 1f-1 -0.000839 0.003576 0.001894 -0.000730 -0.000081 0.000490 33O 1f+2 -0.000270 -0.002842 -0.001044 0.002442 -0.004529 -0.000973 33O 1f-2 -0.000822 -0.001662 -0.001561 -0.001019 0.000052 -0.000533 33O 1f+3 -0.000189 -0.000509 -0.000837 0.001079 -0.003622 -0.000503 33O 1f-3 -0.001031 -0.000523 -0.002038 -0.001483 0.001282 -0.000441 34O 1s -0.005267 -0.001488 -0.009466 -0.004870 -0.000771 -0.008400 34O 2s -0.011849 -0.004538 -0.021152 -0.010720 -0.002572 -0.019397 34O 3s 0.007000 0.022790 0.004833 -0.005034 0.019112 0.019600 34O 4s 0.123118 -0.132597 0.400888 0.228395 -0.038378 0.306432 34O 5s -0.289818 1.054524 -1.963364 -0.339402 -0.186240 -1.708986 34O 1pz -0.040806 -0.038416 -0.007630 -0.015318 -0.018043 0.033876 34O 1px 0.019318 0.038109 -0.009259 -0.087545 0.015372 0.005955 34O 1py -0.011408 0.011701 -0.003213 0.073862 -0.034769 -0.015572 34O 2pz -0.142541 -0.114882 0.013053 -0.031575 -0.076651 0.092980 34O 2px -0.035774 0.057207 -0.128237 -0.149281 -0.008240 -0.103204 34O 2py -0.000926 0.104230 -0.033427 0.117766 -0.048873 -0.021763 34O 3pz 0.806427 0.493174 -0.130555 0.330096 0.617159 -0.335380 34O 3px 0.037159 0.151201 -0.834609 0.586047 -0.282331 -1.091381 34O 3py -0.014892 -0.932412 0.367199 -0.439442 0.266696 0.285610 34O 1dz2 -0.000519 0.000017 -0.002518 0.000125 -0.000877 -0.002720 34O 1dxz -0.007962 0.001205 0.002648 -0.002868 -0.005251 0.000637 34O 1dyz 0.002697 -0.001555 -0.001692 -0.001848 -0.000497 -0.003989 34O 1dx2y2 -0.001942 -0.001414 0.009041 -0.001994 -0.001548 0.008344 34O 1dxy -0.003397 0.001970 -0.001445 0.000276 -0.004458 0.002178 34O 2dz2 0.049644 -0.000888 0.046576 0.001124 0.027921 0.040845 34O 2dxz -0.005259 -0.000254 0.009878 0.002951 -0.014312 0.007820 34O 2dyz -0.015063 -0.009441 0.009282 0.019686 -0.021590 -0.021971 34O 2dx2y2 0.004922 0.000429 -0.008577 0.025798 -0.016109 -0.039548 34O 2dxy -0.002534 0.005767 0.017002 -0.005734 0.015640 0.033157 34O 1f0 -0.002129 -0.001651 -0.000574 -0.002186 -0.001467 -0.000420 34O 1f+1 -0.001310 -0.001350 0.003210 -0.001591 0.000106 0.004468 34O 1f-1 0.000820 -0.000735 -0.001481 0.001202 0.000189 0.000045 34O 1f+2 0.001008 -0.003833 -0.000327 0.000463 0.001194 0.001462 34O 1f-2 -0.001628 -0.001311 -0.001246 -0.000507 -0.001552 -0.001694 34O 1f+3 -0.000242 -0.000540 0.001439 -0.000246 0.001696 0.004458 34O 1f-3 -0.003393 -0.001682 0.000715 0.000137 -0.002479 0.000748 35O 1s -0.006965 -0.000254 0.002363 -0.005988 -0.000341 0.002260 35O 2s -0.016086 0.000678 0.005019 -0.013447 -0.001420 0.004553 35O 3s 0.016780 -0.026564 0.007615 0.001565 0.015929 0.010495 35O 4s 0.175199 0.193856 -0.122841 0.258538 -0.012619 -0.128714 35O 5s -0.699454 -0.703742 -0.006284 -1.236106 -0.315917 0.098301 35O 1pz -0.008316 0.017097 0.046045 0.000763 0.005814 -0.000526 35O 1px 0.010543 -0.061437 0.054923 -0.019819 -0.010662 0.006589 35O 1py -0.035280 -0.010578 0.048993 -0.008763 0.007248 0.049858 35O 2pz -0.017702 0.143942 0.091186 0.023031 0.000076 -0.012869 35O 2px -0.051584 -0.074568 0.071502 -0.098545 -0.031858 -0.009624 35O 2py -0.139975 0.051864 0.060683 0.007729 0.004687 0.129486 35O 3pz 0.030003 -0.896599 -0.429214 -0.103277 0.005539 0.091309 35O 3px -0.436696 0.310520 -0.432407 -0.098305 -0.353510 0.014546 35O 3py 0.497220 -0.567976 -0.363194 -0.555030 -0.102781 -0.809847 35O 1dz2 -0.002817 -0.002341 -0.003325 -0.003718 0.002105 -0.001973 35O 1dxz 0.000684 -0.001786 0.001266 -0.002521 -0.000550 -0.003650 35O 1dyz 0.001269 -0.001508 0.000880 -0.000008 0.000796 -0.001316 35O 1dx2y2 0.004390 -0.001541 -0.001271 -0.003733 0.004731 -0.004090 35O 1dxy -0.000281 0.001747 0.001876 0.006026 -0.001559 0.004226 35O 2dz2 0.004059 -0.032963 0.004384 0.001352 0.019869 0.016745 35O 2dxz -0.006488 0.008433 -0.018513 0.000406 -0.020835 -0.000949 35O 2dyz -0.011265 0.004899 0.030429 -0.021740 0.000130 -0.014595 35O 2dx2y2 -0.022848 -0.012141 -0.026305 -0.008441 -0.000876 -0.009264 35O 2dxy -0.024850 0.015294 -0.015173 -0.005679 -0.027025 0.001715 35O 1f0 0.000293 -0.001855 0.000147 -0.002615 -0.000132 -0.001708 35O 1f+1 0.001105 0.000125 0.000206 -0.000903 0.003554 -0.000186 35O 1f-1 0.001776 -0.003922 -0.000610 0.000249 -0.000374 -0.000325 35O 1f+2 -0.001950 0.002926 -0.001663 -0.000454 0.000493 0.000777 35O 1f-2 0.000523 0.000390 -0.000482 0.000328 0.001147 0.000877 35O 1f+3 0.001558 0.000632 0.000466 -0.001667 0.002724 -0.001163 35O 1f-3 0.000597 0.000158 0.002322 0.003322 0.000872 0.002373 252 253 254 255 256 257 0.85016 0.86311 0.86430 0.89359 0.89689 0.90679 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s -0.000738 0.000198 -0.000071 -0.000038 0.000730 0.001899 0Rh 2s 0.001320 -0.001350 0.001122 0.000415 -0.002623 -0.006131 0Rh 3s -0.003497 0.000326 0.000278 0.000032 0.002650 0.007313 0Rh 4s -0.005339 0.006429 -0.005583 -0.002046 0.011982 0.027541 0Rh 5s -0.009609 -0.010770 0.013641 0.004619 -0.009055 -0.011659 0Rh 6s 0.070671 0.008887 -0.027838 -0.009379 -0.032263 -0.114441 0Rh 7s -0.287670 0.027125 0.097312 0.092650 0.199867 0.960936 0Rh 8s 0.022476 -0.239894 -0.036688 0.206071 0.410564 -0.123313 0Rh 1pz -0.000290 0.001498 -0.006185 -0.009481 -0.010782 -0.015093 0Rh 1px 0.004188 0.006791 -0.004423 -0.004669 0.002770 0.002587 0Rh 1py 0.000043 -0.008902 0.000368 0.006362 0.000224 -0.005450 0Rh 2pz 0.001097 -0.005337 0.020974 0.032420 0.036596 0.051419 0Rh 2px -0.014196 -0.022819 0.014745 0.015959 -0.009250 -0.009059 0Rh 2py 0.000045 0.030331 -0.001354 -0.021608 -0.000694 0.018445 0Rh 3pz -0.002621 0.007532 -0.008645 -0.018805 -0.015820 -0.025948 0Rh 3px 0.006054 0.005623 -0.001102 -0.009186 0.001313 0.010150 0Rh 3py -0.003611 -0.015579 0.002626 0.009694 -0.001036 -0.006697 0Rh 4pz 0.003718 -0.003198 -0.078248 -0.096106 -0.130098 -0.167144 0Rh 4px 0.049480 0.095152 -0.073223 -0.047386 0.040040 0.001983 0Rh 4py 0.012581 -0.099617 -0.001683 0.074924 0.007750 -0.071444 0Rh 5pz -0.006499 0.039155 0.136604 0.116290 0.184263 0.212695 0Rh 5px -0.057697 -0.116608 0.120957 0.055922 -0.024958 0.067856 0Rh 5py -0.029591 0.158054 -0.021911 -0.105220 -0.016415 0.110473 0Rh 6pz 0.631727 -0.036960 -0.809587 -0.704246 -1.888211 -1.876849 0Rh 6px 0.151694 0.161897 -0.529625 -0.452188 -0.735348 -2.008934 0Rh 6py 1.408556 -0.993633 0.829256 1.404949 0.117677 -1.554024 0Rh 1dz2 0.001261 0.017443 0.013233 -0.036626 0.011003 -0.009523 0Rh 1dxz 0.009311 -0.020268 -0.024302 -0.003971 -0.013495 0.002231 0Rh 1dyz -0.001129 0.008504 -0.010561 0.014895 0.000855 0.009105 0Rh 1dx2y2 -0.010337 -0.002358 -0.010228 -0.018741 0.001486 -0.007217 0Rh 1dxy 0.021362 -0.031121 0.029084 0.007470 0.001085 -0.004131 0Rh 2dz2 -0.000870 -0.003502 -0.003002 0.006783 -0.003133 0.001174 0Rh 2dxz -0.002097 0.004794 0.004484 0.001089 0.002312 -0.000368 0Rh 2dyz -0.001630 -0.001346 0.001215 -0.003565 -0.001043 -0.002083 0Rh 2dx2y2 0.002000 0.000364 0.002730 0.004397 0.001097 0.002534 0Rh 2dxy -0.004961 0.006109 -0.006615 -0.001851 0.000144 0.001576 0Rh 3dz2 0.001290 -0.020926 -0.014299 0.046590 -0.009420 0.014821 0Rh 3dxz -0.010075 0.021259 0.030890 0.003683 0.018026 -0.002926 0Rh 3dyz 0.009515 -0.011786 0.016605 -0.015611 0.002718 -0.009894 0Rh 3dx2y2 0.012539 0.003295 0.009399 0.019931 -0.007540 0.003963 0Rh 3dxy -0.022361 0.037990 -0.031676 -0.007430 -0.002757 0.001739 0Rh 4dz2 -0.016357 -0.062223 -0.055000 0.128283 -0.052880 0.022051 0Rh 4dxz -0.038067 0.084187 0.081261 0.017508 0.043891 -0.008793 0Rh 4dyz -0.028689 -0.024411 0.024005 -0.062552 -0.016073 -0.038291 0Rh 4dx2y2 0.036890 0.006092 0.047712 0.079391 0.011538 0.045782 0Rh 4dxy -0.094208 0.110723 -0.115381 -0.034429 -0.000031 0.028396 0Rh 5dz2 0.156696 0.094536 0.152277 -0.285949 0.139803 0.019156 0Rh 5dxz 0.079495 -0.189439 -0.104097 -0.026712 -0.054436 0.025916 0Rh 5dyz 0.372143 0.011212 0.048576 0.078829 0.092174 0.139198 0Rh 5dx2y2 -0.036920 0.009298 -0.128813 -0.226329 -0.050151 -0.163158 0Rh 5dxy 0.353963 -0.184020 0.229411 0.080782 0.000402 -0.103735 0Rh 1f0 0.003340 0.002564 0.007612 -0.006951 0.003126 0.007017 0Rh 1f+1 -0.002880 0.013382 0.004847 0.005458 0.007298 0.000444 0Rh 1f-1 0.007450 0.006397 0.006686 -0.004410 0.001759 0.022613 0Rh 1f+2 0.000322 0.001988 -0.008713 -0.019985 -0.007508 -0.021379 0Rh 1f-2 -0.002923 0.009511 -0.010065 0.002361 -0.004310 -0.000078 0Rh 1f+3 -0.001131 0.001744 0.007321 0.007288 0.003869 -0.000743 0Rh 1f-3 0.007799 0.016892 -0.012623 -0.005698 0.004762 0.001518 1Rh 1s 0.000732 0.000139 -0.000045 -0.000026 0.000867 -0.001841 1Rh 2s -0.001310 -0.001178 0.001071 -0.000194 -0.003082 0.006007 1Rh 3s 0.003464 0.000088 0.000394 -0.000270 0.003167 -0.007050 1Rh 4s 0.005304 0.005666 -0.005368 0.001042 0.014051 -0.027016 1Rh 5s 0.009475 -0.010648 0.013875 -0.003961 -0.010144 0.012134 1Rh 6s -0.069861 0.012883 -0.029930 0.012519 -0.039775 0.109209 1Rh 7s 0.283496 0.000463 0.109053 -0.112946 0.263048 -0.935849 1Rh 8s -0.024013 -0.243068 -0.076140 -0.232097 0.381180 0.151235 1Rh 1pz -0.000332 -0.001654 0.006274 -0.010580 0.010736 -0.014633 1Rh 1px 0.004025 -0.006719 0.004797 -0.004643 -0.003355 0.002821 1Rh 1py 0.000469 0.008848 -0.000555 0.006189 0.000632 -0.005947 1Rh 2pz 0.001242 0.005860 -0.021281 0.036152 -0.036435 0.049851 1Rh 2px -0.013645 0.022568 -0.016006 0.015877 0.011269 -0.009842 1Rh 2py -0.001392 -0.030145 0.002018 -0.021014 -0.002211 0.020131 1Rh 3pz -0.002767 -0.007681 0.008923 -0.020431 0.015625 -0.025187 1Rh 3px 0.005888 -0.005376 0.001547 -0.009231 -0.002894 0.010244 1Rh 3py -0.003093 0.015394 -0.003490 0.009292 0.002261 -0.007422 1Rh 4pz 0.003525 0.001126 0.078766 -0.109339 0.129895 -0.161817 1Rh 4px 0.047262 -0.094865 0.078075 -0.047008 -0.044027 0.005768 1Rh 4py 0.018126 0.099408 0.001581 0.073401 0.002740 -0.077552 1Rh 5pz -0.006050 -0.036625 -0.136853 0.135017 -0.183577 0.204704 1Rh 5px -0.054574 0.117148 -0.127902 0.057657 0.024807 0.061619 1Rh 5py -0.037868 -0.157893 0.020404 -0.103686 0.000718 0.119951 1Rh 6pz 0.591731 0.000681 0.812565 -0.884855 1.895354 -1.780242 1Rh 6px 0.141863 -0.191360 0.569100 -0.520802 0.832653 -1.956303 1Rh 6py 1.390115 0.962225 -0.784651 1.380050 0.091351 -1.663575 1Rh 1dz2 -0.001429 0.017792 0.012535 0.035676 0.012978 0.010118 1Rh 1dxz -0.009516 -0.019217 -0.024094 0.005019 -0.013246 -0.003331 1Rh 1dyz 0.001575 0.008086 -0.010075 -0.015019 0.000172 -0.008738 1Rh 1dx2y2 0.010582 -0.001600 -0.009295 0.018540 0.002150 0.007816 1Rh 1dxy -0.022848 -0.030352 0.027834 -0.007114 0.000425 0.004937 1Rh 2dz2 0.000906 -0.003554 -0.002824 -0.006539 -0.003508 -0.001341 1Rh 2dxz 0.002137 0.004596 0.004466 -0.001258 0.002244 0.000544 1Rh 2dyz 0.001567 -0.001295 0.001173 0.003634 -0.000848 0.001987 1Rh 2dx2y2 -0.002057 0.000184 0.002532 -0.004440 0.000998 -0.002560 1Rh 2dxy 0.005245 0.005942 -0.006335 0.001725 0.000359 -0.001688 1Rh 3dz2 -0.001100 -0.021423 -0.013633 -0.045665 -0.011887 -0.015341 1Rh 3dxz 0.010319 0.019947 0.030540 -0.005127 0.017803 0.004451 1Rh 3dyz -0.010162 -0.011145 0.015785 0.015570 0.003303 0.009548 1Rh 3dx2y2 -0.012800 0.002514 0.008344 -0.019342 -0.008499 -0.005080 1Rh 3dxy 0.024196 0.037133 -0.030308 0.007225 -0.002320 -0.002926 1Rh 4dz2 0.017050 -0.063203 -0.051748 -0.124070 -0.060080 -0.024910 1Rh 4dxz 0.038855 0.080463 0.080800 -0.020754 0.042649 0.012124 1Rh 4dyz 0.027475 -0.023358 0.023098 0.063629 -0.012740 0.036676 1Rh 4dx2y2 -0.037880 0.002738 0.043977 -0.079701 0.009735 -0.046649 1Rh 4dxy 0.099454 0.107518 -0.110180 0.032401 0.003901 -0.030582 1Rh 5dz2 -0.158403 0.096010 0.140640 0.275678 0.157779 -0.011433 1Rh 5dxz -0.082066 -0.181943 -0.104043 0.029784 -0.051673 -0.028539 1Rh 5dyz -0.370940 0.012871 0.043904 -0.083766 0.087611 -0.136052 1Rh 5dx2y2 0.039356 0.019784 -0.118623 0.229163 -0.047031 0.160201 1Rh 5dxy -0.363420 -0.173657 0.214248 -0.075230 -0.012790 0.103915 1Rh 1f0 0.003294 -0.002602 -0.007627 -0.006792 -0.004296 0.006710 1Rh 1f+1 -0.002964 -0.013459 -0.005285 0.005988 -0.006900 0.000289 1Rh 1f-1 0.007132 -0.006490 -0.006563 -0.004127 -0.003097 0.022722 1Rh 1f+2 0.000261 -0.002128 0.008818 -0.020947 0.006875 -0.020530 1Rh 1f-2 -0.003522 -0.009329 0.010210 0.002147 0.004230 0.000589 1Rh 1f+3 -0.000847 -0.001765 -0.007735 0.007399 -0.003001 -0.000747 1Rh 1f-3 0.007321 -0.017177 0.013070 -0.005127 -0.005085 0.001747 2C 1s -0.003309 0.001261 0.002382 0.000766 0.001531 0.003102 2C 2s -0.010689 0.003081 0.005570 0.000737 0.005361 0.009750 2C 3s 0.153749 -0.034857 0.030784 0.066273 -0.067633 -0.119421 2C 4s -0.913349 0.318410 -0.233928 -0.385029 0.439530 0.520740 2C 5s 3.877594 -2.670547 -1.969094 -0.457268 -2.385865 -0.706501 2C 1pz 0.031906 -0.030468 0.003508 -0.029193 -0.046196 -0.068696 2C 1px -0.046331 0.066545 0.043783 0.028365 -0.101131 -0.089499 2C 1py 0.070859 -0.032631 -0.023980 0.075424 -0.033484 -0.003494 2C 2pz -0.147371 -0.019722 -0.032461 -0.222223 -0.051478 -0.060543 2C 2px -0.198872 0.094541 0.106574 -0.106283 -0.361303 -0.217792 2C 2py 0.204235 -0.170531 -0.323305 0.134519 -0.113131 0.200020 2C 3pz 0.481754 -0.534621 -0.275095 -0.273226 -0.464224 -0.151868 2C 3px 0.105567 0.102102 -0.093007 -0.120142 -0.460667 -0.465155 2C 3py 0.683538 -0.383124 -0.500029 0.228349 -0.381541 0.065012 2C 1dz2 0.000224 0.001799 -0.003021 0.003986 0.001628 0.002032 2C 1dxz -0.002414 -0.001935 -0.000539 -0.001116 0.002304 0.002985 2C 1dyz -0.002675 0.001302 -0.001072 -0.002277 -0.000328 0.002863 2C 1dx2y2 0.003343 -0.001319 -0.001385 0.003076 -0.000711 -0.001666 2C 1dxy -0.001111 -0.001794 0.000998 -0.001583 0.002559 -0.000227 2C 2dz2 0.043483 -0.253386 -0.031458 -0.167904 -0.205529 -0.009766 2C 2dxz 0.459332 -0.087162 -0.244660 0.222251 0.082228 0.147246 2C 2dyz 0.084738 -0.023113 0.046099 0.163677 -0.454320 -0.297556 2C 2dx2y2 -0.126749 0.257067 0.013665 0.064631 -0.339713 -0.242278 2C 2dxy -0.060288 0.188935 0.210279 -0.163366 -0.067628 -0.394897 2C 1f0 -0.008152 0.003507 -0.006122 0.002996 -0.013612 0.000481 2C 1f+1 -0.001761 0.001760 0.007055 -0.006114 -0.008652 -0.010203 2C 1f-1 0.001233 -0.005075 -0.003440 -0.002530 -0.005496 -0.000465 2C 1f+2 0.011453 -0.006219 0.000029 0.001253 0.009315 0.005303 2C 1f-2 0.004664 -0.001868 -0.010607 -0.002544 0.010874 0.016687 2C 1f+3 0.018967 -0.010887 -0.006522 0.008699 -0.014259 0.000837 2C 1f-3 -0.006129 0.004304 0.006908 0.001672 -0.015735 -0.014859 3C 1s 0.001479 -0.000547 -0.000705 0.001524 -0.000665 0.002376 3C 2s 0.005357 -0.001535 -0.003076 0.005464 -0.000374 0.005721 3C 3s -0.102174 0.005884 0.035726 -0.084982 -0.081780 -0.009861 3C 4s 0.580679 -0.062897 -0.060176 0.330579 0.636067 -0.032121 3C 5s -1.662538 0.834007 0.500317 0.181052 -0.364094 -1.172344 3C 1pz -0.044256 0.001924 -0.017258 -0.003264 0.064748 -0.031866 3C 1px 0.048089 -0.003529 0.040265 -0.095149 -0.041841 0.003282 3C 1py 0.034943 -0.007465 -0.041513 0.014176 0.072016 -0.017740 3C 2pz -0.057618 0.045044 -0.031385 0.056500 0.443709 -0.057339 3C 2px 0.220444 0.120623 -0.082393 -0.098303 -0.065518 -0.014217 3C 2py -0.078114 0.039990 -0.113192 -0.133878 0.163473 0.061327 3C 3pz -0.553009 0.180295 0.072282 -0.104130 0.230313 -0.114424 3C 3px -0.066393 0.243478 0.072001 -0.238220 -0.060811 -0.469826 3C 3py 0.153616 -0.020203 -0.199712 -0.175644 0.181250 0.206343 3C 1dz2 -0.001772 0.000961 0.002117 -0.002703 -0.001652 0.006094 3C 1dxz 0.000093 -0.001290 -0.000445 0.001418 -0.000332 0.000993 3C 1dyz 0.000515 -0.000430 -0.001073 0.000340 -0.000094 -0.003109 3C 1dx2y2 -0.001611 -0.000581 -0.001032 -0.000770 -0.003079 0.003280 3C 1dxy -0.002800 0.000234 0.002257 -0.003447 -0.003103 0.001210 3C 2dz2 -0.012756 0.040521 -0.162487 0.033413 0.273759 -0.156737 3C 2dxz -0.328676 -0.128527 0.063834 0.268523 -0.008795 -0.092578 3C 2dyz -0.170627 -0.016208 -0.020561 0.033289 0.529576 0.112906 3C 2dx2y2 0.133484 -0.098617 0.140912 -0.101998 -0.187486 -0.151647 3C 2dxy 0.123610 -0.018908 -0.214632 0.248838 -0.068322 0.079407 3C 1f0 0.005908 -0.004978 -0.001292 0.002116 -0.007471 -0.002814 3C 1f+1 0.013726 0.001834 -0.000712 -0.005054 -0.008450 -0.002385 3C 1f-1 -0.001490 0.002714 -0.002544 -0.001338 0.017791 0.008200 3C 1f+2 -0.007452 0.000500 -0.001235 -0.003703 -0.009589 0.000632 3C 1f-2 -0.004960 -0.002092 -0.000017 -0.000831 -0.000848 0.000178 3C 1f+3 -0.007487 -0.004755 0.005887 0.007774 -0.014196 -0.002019 3C 1f-3 -0.013547 -0.004785 -0.002102 0.009609 0.016038 -0.001893 4C 1s -0.000873 -0.002402 -0.007459 -0.001542 0.008842 0.006009 4C 2s -0.001135 -0.005642 -0.017064 -0.003018 0.025095 0.016858 4C 3s -0.165393 -0.029230 -0.026869 -0.081845 -0.166646 0.008736 4C 4s 1.400382 0.248427 0.370869 0.580847 0.185887 -0.606885 4C 5s 0.672380 1.376973 1.333224 1.263605 -0.237588 -2.942760 4C 1pz -0.008260 0.034648 -0.014983 0.002493 0.029917 -0.015675 4C 1px -0.036413 -0.075444 0.016052 -0.025151 -0.003378 0.052088 4C 1py -0.032161 -0.004684 0.007071 -0.063389 -0.022183 0.016218 4C 2pz 0.449130 -0.320856 -0.048721 0.023406 -0.296266 -0.244619 4C 2px -0.248917 0.620009 0.333918 0.311497 -0.211007 0.128176 4C 2py 0.206377 0.041039 0.086435 0.119199 -0.255358 -0.093103 4C 3pz 2.045672 -1.340823 -1.149636 -0.371485 -0.763118 -0.602515 4C 3px -1.767309 1.485747 0.701594 0.973684 -0.237121 -0.053996 4C 3py 0.618441 -0.229651 -0.398120 -0.018147 -0.655823 -0.733561 4C 1dz2 0.003689 -0.004673 -0.004780 -0.002401 -0.000451 0.001422 4C 1dxz -0.010798 0.004953 -0.001525 0.002366 -0.000698 0.004922 4C 1dyz 0.003377 -0.001936 -0.002911 -0.001363 -0.009607 -0.006314 4C 1dx2y2 0.009043 -0.000134 0.004069 0.005734 0.000028 -0.001940 4C 1dxy -0.005024 0.008311 0.003007 0.002956 -0.003584 -0.005331 4C 2dz2 -0.204395 -0.098299 0.161976 -0.191611 -0.016531 -0.044565 4C 2dxz -0.073674 0.192854 0.064216 0.033271 -0.002379 0.168344 4C 2dyz 0.269285 -0.082172 0.084633 0.254704 -0.065577 -0.106940 4C 2dx2y2 0.174092 0.071003 0.015529 -0.051964 -0.220521 -0.278130 4C 2dxy 0.007583 0.234265 0.261370 0.066099 -0.028209 -0.206538 4C 1f0 -0.008630 0.005070 0.001524 -0.004903 0.005291 0.007196 4C 1f+1 -0.025430 -0.004833 -0.006618 -0.010609 -0.003992 0.015178 4C 1f-1 -0.004341 -0.009771 -0.009081 -0.006908 0.000607 0.009157 4C 1f+2 0.012218 -0.009568 0.002876 0.002121 -0.000595 -0.020961 4C 1f-2 -0.008189 0.004375 0.005825 0.001146 -0.004544 0.001172 4C 1f+3 -0.004622 -0.017002 -0.000976 -0.007459 0.000230 -0.004261 4C 1f-3 -0.020928 -0.017313 -0.009385 -0.011979 0.002317 0.013038 5C 1s -0.003501 -0.003518 -0.001213 0.000624 0.012771 -0.003694 5C 2s -0.010206 -0.009571 -0.003860 0.001726 0.032921 -0.009176 5C 3s 0.150536 0.061622 0.005992 0.075124 -0.088104 0.001357 5C 4s -0.783400 0.007242 0.244365 -0.608849 -0.176437 0.238665 5C 5s 0.016503 -0.018192 0.581600 -1.729345 -1.377976 1.247713 5C 1pz 0.015229 0.018559 0.032391 -0.016297 0.002395 0.046360 5C 1px 0.020798 0.013155 -0.094593 0.044108 -0.014025 0.054598 5C 1py -0.044143 -0.007794 0.017181 -0.018630 -0.010088 0.049089 5C 2pz -0.105208 0.097545 -0.105421 0.135803 -0.180660 -0.101202 5C 2px 0.083307 -0.224307 0.528576 -0.426675 -0.150533 0.439890 5C 2py 0.126971 -0.077517 -0.006486 -0.090902 0.308971 0.067891 5C 3pz -0.298425 0.300137 0.019586 0.443865 0.049338 -0.702969 5C 3px 1.216977 -0.453546 1.504351 -1.171592 -0.010440 0.804020 5C 3py 1.061128 -0.494625 -0.483606 0.196744 -0.396485 0.444961 5C 1dz2 0.003265 0.000220 -0.003387 0.004822 0.004094 0.001704 5C 1dxz 0.005258 0.000084 0.006480 -0.000154 0.001259 -0.000245 5C 1dyz 0.004798 -0.000459 -0.002270 0.001483 0.004777 0.002164 5C 1dx2y2 -0.000958 -0.001269 0.002788 -0.006928 -0.005681 0.002874 5C 1dxy -0.009245 0.000311 -0.004717 0.004518 -0.000351 -0.001447 5C 2dz2 0.191671 0.064756 -0.207191 0.182868 0.331138 -0.261378 5C 2dxz -0.132264 -0.149129 0.098603 0.007128 0.025506 -0.080800 5C 2dyz 0.054032 -0.041304 0.101202 0.040534 0.207797 0.098040 5C 2dx2y2 0.007029 -0.039208 0.139732 -0.138908 0.013173 -0.082655 5C 2dxy 0.001236 0.042830 -0.158070 0.145934 -0.025831 -0.154672 5C 1f0 -0.000933 -0.002716 0.013399 -0.008997 0.005577 0.003969 5C 1f+1 0.007135 0.002921 -0.012582 0.011859 0.004394 -0.007660 5C 1f-1 0.000062 -0.003965 0.002978 -0.002404 -0.006948 0.000425 5C 1f+2 0.000593 0.000905 -0.008400 -0.002804 -0.004989 -0.001658 5C 1f-2 -0.006380 0.004884 -0.008530 -0.001328 -0.005820 -0.005273 5C 1f+3 0.018791 0.007780 -0.015975 0.017372 0.005737 -0.006355 5C 1f-3 -0.007807 0.000581 -0.001717 -0.014581 -0.007613 0.003479 6C 1s 0.003450 -0.003763 -0.001469 -0.001442 0.012678 0.004355 6C 2s 0.010069 -0.010201 -0.004371 -0.003840 0.032689 0.010848 6C 3s -0.149716 0.063650 -0.003131 -0.069756 -0.095105 -0.003087 6C 4s 0.784404 0.007096 0.309750 0.624270 -0.122372 -0.262272 6C 5s -0.057489 0.032677 0.731697 1.806379 -1.220944 -1.367733 6C 1pz 0.015614 -0.018223 -0.031309 -0.016394 -0.005062 0.046326 6C 1px 0.020388 -0.012551 0.096035 0.044308 0.014169 0.055612 6C 1py -0.043223 0.010051 -0.019756 -0.019098 0.005869 0.048834 6C 2pz -0.119258 -0.098529 0.104652 0.122538 0.198761 -0.095484 6C 2px 0.112211 0.221073 -0.547507 -0.429462 0.091541 0.448100 6C 2py 0.139242 0.079737 0.012718 -0.070064 -0.320913 0.056508 6C 3pz -0.348823 -0.300537 0.021030 0.440049 0.005410 -0.728004 6C 3px 1.286865 0.443710 -1.503999 -1.166663 -0.118516 0.798361 6C 3py 1.096777 0.477100 0.458036 0.177490 0.399994 0.512728 6C 1dz2 -0.003328 0.000296 -0.003513 -0.005118 0.003781 -0.001454 6C 1dxz -0.005357 0.000017 0.006113 0.000060 0.001243 0.000309 6C 1dyz -0.004929 -0.000298 -0.002115 -0.001833 0.004599 -0.001916 6C 1dx2y2 0.000721 -0.001264 0.003272 0.007280 -0.004968 -0.003369 6C 1dxy 0.009594 0.000096 -0.004616 -0.004538 -0.000769 0.001502 6C 2dz2 -0.191565 0.073275 -0.214252 -0.204234 0.303345 0.278751 6C 2dxz 0.130099 -0.157491 0.096838 -0.007679 0.022273 0.087554 6C 2dyz -0.060166 -0.046301 0.086804 -0.053924 0.210670 -0.088267 6C 2dx2y2 -0.009946 -0.032468 0.141174 0.138827 0.019357 0.080106 6C 2dxy 0.010432 0.036262 -0.172435 -0.139565 -0.045705 0.152119 6C 1f0 -0.000271 0.002792 -0.013568 -0.008527 -0.006629 0.003638 6C 1f+1 0.006873 -0.002713 0.013482 0.012007 -0.002977 -0.008077 6C 1f-1 0.000173 0.003971 -0.003055 -0.002823 0.006615 0.000833 6C 1f+2 0.000455 -0.000961 0.008255 -0.003155 0.004926 -0.001319 6C 1f-2 -0.007071 -0.004937 0.008039 -0.001840 0.005984 -0.004801 6C 1f+3 0.018430 -0.008015 0.017155 0.017867 -0.003883 -0.006652 6C 1f-3 -0.007693 -0.000887 0.000507 -0.014990 0.006452 0.004179 7C 1s 0.000945 -0.002457 -0.007292 0.000908 0.009107 -0.005467 7C 2s 0.001316 -0.005698 -0.016646 0.001229 0.025748 -0.015301 7C 3s 0.165022 -0.038323 -0.025741 0.093476 -0.158104 -0.021299 7C 4s -1.401991 0.314284 0.351366 -0.591147 0.112044 0.627120 7C 5s -0.645540 1.477310 1.306184 -1.259848 -0.441814 2.943761 7C 1pz -0.007817 -0.032909 0.017280 0.004094 -0.028110 -0.015576 7C 1px -0.037181 0.076769 -0.018471 -0.024907 -0.002865 0.052370 7C 1py -0.032326 0.005938 -0.008755 -0.064553 0.016080 0.018020 7C 2pz 0.466596 0.310037 0.065044 0.002394 0.312639 -0.232386 7C 2px -0.278410 -0.612378 -0.351242 0.294353 0.215979 0.135965 7C 2py 0.206913 -0.044899 -0.082976 0.100573 0.266869 -0.083978 7C 3pz 2.098103 1.318257 1.187452 -0.433491 0.786199 -0.555668 7C 3px -1.848872 -1.469174 -0.773836 0.955207 0.282698 -0.055817 7C 3py 0.618668 0.244510 0.423351 -0.068529 0.675607 -0.695463 7C 1dz2 -0.003870 -0.004785 -0.005022 0.002362 -0.000466 -0.001473 7C 1dxz 0.011098 0.004714 -0.001153 -0.002254 -0.000601 -0.004939 7C 1dyz -0.003452 -0.001875 -0.002875 0.001952 -0.009661 0.005813 7C 1dx2y2 -0.009101 0.000447 0.004027 -0.005758 -0.000585 0.002147 7C 1dxy 0.005379 0.008174 0.003076 -0.002557 -0.004024 0.005238 7C 2dz2 0.198739 -0.102135 0.163115 0.195233 0.000139 0.046967 7C 2dxz 0.080215 0.190286 0.072164 -0.034532 0.007771 -0.170867 7C 2dyz -0.271056 -0.066156 0.082066 -0.249379 -0.090384 0.107666 7C 2dx2y2 -0.177417 0.079044 0.013459 0.065627 -0.224597 0.266706 7C 2dxy -0.003665 0.229892 0.255614 -0.060860 -0.042452 0.209690 7C 1f0 -0.008619 -0.004338 -0.001178 -0.004502 -0.005954 0.007029 7C 1f+1 -0.025649 0.005866 0.005964 -0.010861 0.002289 0.015628 7C 1f-1 -0.003974 0.010190 0.009204 -0.006853 -0.001503 0.009350 7C 1f+2 0.012713 0.008655 -0.002516 0.002076 0.001673 -0.021232 7C 1f-2 -0.008537 -0.004091 -0.006207 0.000760 0.004423 0.001343 7C 1f+3 -0.004242 0.016919 0.000886 -0.007410 -0.000503 -0.004486 7C 1f-3 -0.020595 0.017982 0.008860 -0.011787 -0.003777 0.013186 8C 1s -0.001551 -0.000511 -0.000610 -0.001474 -0.000727 -0.002442 8C 2s -0.005545 -0.001418 -0.002957 -0.005436 -0.000667 -0.005827 8C 3s 0.103966 0.005018 0.043082 0.090043 -0.074728 0.006778 8C 4s -0.598171 -0.060724 -0.105242 -0.370360 0.604872 0.059037 8C 5s 1.786656 0.804627 0.428751 -0.141999 -0.395599 1.229473 8C 1pz -0.044106 -0.001590 0.015605 0.000536 -0.063102 -0.037844 8C 1px 0.051107 -0.000096 -0.041434 -0.097261 0.036390 0.007307 8C 1py 0.036647 0.005370 0.041897 0.018712 -0.068529 -0.019406 8C 2pz -0.053217 -0.047235 0.031007 0.083459 -0.432100 -0.088518 8C 2px 0.227067 -0.132726 0.087203 -0.100056 0.065607 -0.002638 8C 2py -0.070453 -0.045907 0.094219 -0.122681 -0.170874 0.056499 8C 3pz -0.562324 -0.170097 -0.080959 -0.091420 -0.237123 -0.147247 8C 3px -0.070777 -0.254743 -0.057603 -0.238722 0.072119 -0.462607 8C 3py 0.175742 0.006937 0.171963 -0.159608 -0.187985 0.215443 8C 1dz2 0.001739 0.000849 0.002178 0.002779 -0.001152 -0.006165 8C 1dxz -0.000161 -0.001387 -0.000543 -0.001364 -0.000403 -0.000887 8C 1dyz -0.000497 -0.000369 -0.000980 -0.000350 -0.000264 0.003277 8C 1dx2y2 0.001620 -0.000616 -0.000910 0.000918 -0.002894 -0.003399 8C 1dxy 0.002839 0.000199 0.002353 0.003680 -0.002761 -0.001427 8C 2dz2 0.015212 0.043339 -0.160361 -0.055722 0.261509 0.172722 8C 2dxz 0.340986 -0.146027 0.065855 -0.263696 -0.030925 0.106350 8C 2dyz 0.166498 -0.022496 -0.014320 -0.067748 0.527911 -0.082568 8C 2dx2y2 -0.135273 -0.093937 0.132387 0.118244 -0.183373 0.131577 8C 2dxy -0.123819 -0.025630 -0.222303 -0.241411 -0.082637 -0.086043 8C 1f0 0.006040 0.004974 0.001777 0.001490 0.007576 -0.001938 8C 1f+1 0.013789 -0.002420 0.000974 -0.005577 0.008362 -0.001439 8C 1f-1 -0.001144 -0.002700 0.002466 -0.000150 -0.018084 0.007333 8C 1f+2 -0.007631 -0.000635 0.000617 -0.004233 0.008935 0.001209 8C 1f-2 -0.005112 0.002249 -0.000475 -0.000957 0.001091 -0.000024 8C 1f+3 -0.007870 0.005142 -0.005588 0.006612 0.014752 -0.001615 8C 1f-3 -0.013902 0.005362 0.001945 0.010571 -0.015216 -0.003257 9C 1s 0.003351 0.001220 0.002431 -0.000934 0.001659 -0.002997 9C 2s 0.010798 0.002853 0.005703 -0.001274 0.005842 -0.009443 9C 3s -0.155574 -0.028224 0.028610 -0.059846 -0.078084 0.118382 9C 4s 0.930971 0.283452 -0.215654 0.346073 0.490989 -0.513063 9C 5s -3.981721 -2.660704 -2.056975 0.657925 -2.406366 0.585764 9C 1pz 0.033407 0.030157 -0.001396 -0.032184 0.045803 -0.066372 9C 1px -0.049664 -0.066167 -0.045102 0.018999 0.105599 -0.086686 9C 1py 0.070756 0.028791 0.022303 0.072768 0.041427 -0.003394 9C 2pz -0.140906 0.036643 0.040587 -0.224445 0.035254 -0.053272 9C 2px -0.208789 -0.087144 -0.115762 -0.138221 0.355540 -0.206599 9C 2py 0.199025 0.160441 0.313401 0.125366 0.123575 0.204008 9C 3pz 0.503801 0.544348 0.288461 -0.306078 0.445594 -0.128748 9C 3px 0.102509 -0.092096 0.098253 -0.166338 0.474119 -0.443132 9C 3py 0.686193 0.365994 0.502705 0.190928 0.414030 0.082991 9C 1dz2 -0.000144 0.001680 -0.003115 -0.004041 0.001380 -0.001976 9C 1dxz 0.002464 -0.001914 -0.000455 0.000839 0.002485 -0.002981 9C 1dyz 0.002710 0.001201 -0.000972 0.002263 0.000024 -0.002967 9C 1dx2y2 -0.003335 -0.001165 -0.001472 -0.003013 -0.001039 0.001592 9C 1dxy 0.001117 -0.001857 0.000988 0.001332 0.002674 0.000309 9C 2dz2 -0.042953 -0.248487 -0.024173 0.182155 -0.187076 0.002777 9C 2dxz -0.469074 -0.075838 -0.251769 -0.226581 0.069662 -0.150411 9C 2dyz -0.090300 -0.025885 0.039258 -0.129518 -0.479768 0.276358 9C 2dx2y2 0.135022 0.256051 0.019664 -0.042614 -0.347630 0.218564 9C 2dxy 0.057744 0.183287 0.193686 0.165473 -0.081100 0.398152 9C 1f0 -0.008486 -0.003750 0.005217 0.002018 0.013501 0.001148 9C 1f+1 -0.001924 -0.001486 -0.006713 -0.006704 0.008641 -0.009817 9C 1f-1 0.001449 0.005251 0.003539 -0.002836 0.005621 -0.000346 9C 1f+2 0.012036 0.005912 0.000011 0.001982 -0.008754 0.004306 9C 1f-2 0.005042 0.001965 0.010480 -0.001482 -0.011676 0.016417 9C 1f+3 0.019434 0.010262 0.006767 0.007614 0.014456 0.001858 9C 1f-3 -0.005830 -0.003754 -0.006810 0.000670 0.016973 -0.014383 10H 1s -0.013413 0.017877 0.007967 0.008389 -0.008853 -0.016270 10H 2s 0.488630 -0.358341 -0.152297 0.075169 0.587903 0.358977 10H 3s -0.421284 0.138679 0.149652 -0.045709 0.238622 0.160860 10H 1pz 0.014165 0.011320 0.004493 0.015763 0.016993 0.001469 10H 1px -0.057070 0.037847 0.018203 -0.006130 -0.026924 -0.020645 10H 1py 0.013845 0.001275 -0.006430 0.003268 0.004171 -0.000083 11H 1s -0.013243 0.006079 -0.000251 0.001605 0.010587 0.011556 11H 2s -0.653762 0.361451 0.625924 -0.278700 -0.394049 -0.723533 11H 3s -0.609073 0.329643 0.135099 -0.035174 0.381885 0.251445 11H 1pz 0.006964 -0.009190 0.017003 -0.003505 -0.013537 -0.020818 11H 1px -0.027667 0.011178 0.030059 -0.009643 -0.018109 -0.031018 11H 1py 0.022152 -0.017689 -0.027135 0.014382 0.020219 0.037674 12H 1s -0.009384 0.002371 0.007831 -0.006698 0.014865 -0.004301 12H 2s 0.121284 -0.023055 -0.145734 0.490484 -0.490422 0.011381 12H 3s -0.599426 0.485099 0.081609 0.018925 0.304267 0.095409 12H 1pz -0.005920 -0.015646 0.007299 -0.029100 0.013946 0.012700 12H 1px 0.000180 -0.012652 -0.004081 -0.002189 -0.014003 0.008991 12H 1py 0.026817 -0.018698 -0.021361 0.016763 -0.040177 0.003311 13H 1s 0.006509 -0.001476 0.012288 -0.019493 -0.003055 0.011104 13H 2s -0.634537 -0.127964 0.073437 0.276707 0.413723 0.047297 13H 3s 0.138420 -0.081415 -0.116235 0.036339 0.062422 0.155041 13H 1pz -0.035687 -0.002572 0.005346 0.010973 0.017223 0.000402 13H 1px 0.042455 0.006352 -0.000925 -0.012511 -0.013861 0.001054 13H 1py -0.001450 0.012548 -0.023762 0.010072 -0.003382 0.003491 14H 1s 0.000342 -0.005806 0.002189 0.002049 0.000983 0.001670 14H 2s 0.281027 0.183252 -0.052144 -0.460734 0.195644 0.089156 14H 3s 0.123127 -0.015300 0.126806 -0.093080 0.140840 -0.053343 14H 1pz 0.008463 0.011463 -0.005409 -0.010036 0.004953 0.008859 14H 1px 0.005456 0.021563 -0.018736 -0.012166 0.007049 0.008022 14H 1py 0.012590 0.000557 0.020954 -0.029548 0.009377 -0.010097 15H 1s 0.001837 -0.000592 0.005982 -0.002961 0.017749 0.004092 15H 2s 0.277469 -0.137986 0.238202 -0.051353 -0.968727 0.006770 15H 3s 0.377010 -0.188254 -0.059472 0.089430 0.382504 0.037541 15H 1pz -0.015606 0.010849 -0.016089 0.006468 0.054280 0.002877 15H 1px 0.017822 -0.001729 -0.001035 0.001078 -0.010721 -0.003012 15H 1py 0.000531 0.003640 0.007332 -0.008056 0.052040 0.023396 16H 1s 0.005238 -0.003743 -0.000752 -0.007380 -0.004125 0.005013 16H 2s -0.010140 0.160978 0.049462 -0.062044 0.034058 -0.043625 16H 3s -0.017098 0.157095 0.066933 -0.126374 -0.023761 0.012394 16H 1pz 0.004669 0.003111 0.022217 -0.000382 0.016486 0.001176 16H 1px 0.009760 -0.049794 -0.000353 -0.021288 -0.036164 -0.038881 16H 1py -0.003227 0.006102 -0.033006 -0.009612 -0.026680 -0.023134 17H 1s -0.003421 0.005209 0.002457 0.010701 0.005341 0.003150 17H 2s -0.102624 0.025204 -0.246857 -0.029559 -0.210858 -0.256861 17H 3s -0.059870 -0.038416 -0.085111 0.082434 -0.121612 0.115138 17H 1pz 0.004147 0.039208 -0.029886 -0.026576 -0.011782 -0.003084 17H 1px -0.002315 0.001128 0.052963 0.032324 0.034195 0.021314 17H 1py -0.012316 0.022214 -0.003531 0.001429 -0.004851 -0.014705 18H 1s 0.003375 0.005220 0.002898 -0.011402 0.005518 -0.003406 18H 2s 0.103924 0.023809 -0.239565 0.047565 -0.221431 0.242003 18H 3s 0.058820 -0.040290 -0.066348 -0.075554 -0.116258 -0.125866 18H 1pz 0.002820 -0.038490 0.030122 -0.026403 0.010205 -0.001325 18H 1px -0.001479 -0.001710 -0.053782 0.035658 -0.034155 0.020058 18H 1py -0.012978 -0.023421 0.003510 0.001297 0.006053 -0.013646 19H 1s -0.005310 -0.003693 0.000053 0.007605 -0.002906 -0.005644 19H 2s 0.008915 0.165105 0.049744 0.060118 0.032815 0.041971 19H 3s 0.017673 0.157073 0.071963 0.124857 -0.011745 -0.015815 19H 1pz 0.005189 -0.003516 -0.021674 0.000119 -0.016873 0.000595 19H 1px 0.010400 0.049709 -0.001019 -0.024370 0.035271 -0.037569 19H 1py -0.003251 -0.005153 0.031906 -0.010339 0.027987 -0.022864 20H 1s -0.002437 -0.000865 0.006115 0.001827 0.017953 -0.002594 20H 2s -0.274285 -0.140097 0.226967 0.113385 -0.954663 -0.065516 20H 3s -0.400510 -0.185181 -0.069022 -0.113757 0.373436 -0.023908 20H 1pz -0.015312 -0.011115 0.015177 0.010047 -0.053261 -0.000233 20H 1px 0.018058 0.001355 0.001418 0.000663 0.011368 -0.002654 20H 1py 0.002140 -0.003346 -0.007817 -0.004826 -0.052898 0.019983 21H 1s -0.000841 -0.006039 0.002327 -0.001953 0.000932 -0.001302 21H 2s -0.306215 0.209462 -0.032665 0.440743 0.218742 -0.085364 21H 3s -0.138634 -0.017809 0.122095 0.080300 0.143880 0.054153 21H 1pz 0.008748 -0.012538 0.004718 -0.009490 -0.005626 0.009043 21H 1px 0.006014 -0.022495 0.017599 -0.011253 -0.007652 0.007994 21H 1py 0.013759 -0.001743 -0.021183 -0.028643 -0.010584 -0.010598 22H 1s -0.007374 -0.001345 0.012491 0.019548 -0.001254 -0.011898 22H 2s 0.645197 -0.153000 0.092753 -0.299222 0.400297 0.002784 22H 3s -0.150189 -0.081673 -0.110160 -0.040060 0.067382 -0.158072 22H 1pz -0.036106 0.003304 -0.006676 0.011661 -0.016500 -0.001629 22H 1px 0.043970 -0.007709 0.001932 -0.013289 0.013409 0.003164 22H 1py -0.001359 -0.012420 0.023884 0.009637 0.003766 0.004260 23H 1s 0.009770 0.002468 0.008047 0.005225 0.015329 0.004855 23H 2s -0.104177 0.001985 -0.116802 -0.451405 -0.526352 -0.026971 23H 3s 0.624612 0.473555 0.091704 -0.039058 0.307880 -0.089048 23H 1pz -0.004878 0.016239 -0.006800 -0.027836 -0.017088 0.011799 23H 1px -0.000782 0.011679 0.002440 -0.003369 0.012984 0.009230 23H 1py 0.026615 0.017230 0.020151 0.013278 0.041418 0.004743 24H 1s 0.013424 0.006249 0.000376 -0.002654 0.010843 -0.010990 24H 2s 0.661899 0.334723 0.618828 0.310172 -0.391244 0.712929 24H 3s 0.619907 0.320060 0.154365 0.001512 0.394465 -0.232459 24H 1pz 0.007535 0.009938 -0.015575 -0.005058 0.014033 -0.020117 24H 1px -0.027918 -0.009435 -0.029939 -0.011624 0.018351 -0.030846 24H 1py 0.022114 0.016862 0.026561 0.015657 -0.020130 0.036843 25H 1s 0.014295 0.018027 0.008638 -0.007741 -0.009719 0.016077 25H 2s -0.510758 -0.343858 -0.170007 -0.125617 0.587660 -0.335191 25H 3s 0.430965 0.139867 0.163799 0.022581 0.253455 -0.146956 25H 1pz 0.015571 -0.010882 -0.003125 0.016841 -0.015460 0.000952 25H 1px -0.059115 -0.036393 -0.020056 -0.008259 0.026434 -0.019397 25H 1py 0.012791 -0.002579 0.006304 0.003774 -0.003345 -0.000494 26O 1s 0.000321 -0.017231 -0.008084 -0.012945 -0.003273 -0.005817 26O 2s -0.001134 -0.038252 -0.017141 -0.029300 -0.008630 -0.012794 26O 3s 0.042126 0.000469 -0.014509 0.007174 0.020266 -0.016617 26O 4s -0.200821 0.700422 0.445872 0.535886 0.033090 0.360722 26O 5s 0.195585 -2.681687 -1.679936 -2.064817 0.393440 -0.009442 26O 1pz -0.003244 -0.022444 0.003120 -0.024643 0.044015 0.066213 26O 1px -0.046556 0.002932 0.048813 0.006635 0.012704 0.047043 26O 1py -0.016723 -0.014984 0.007853 -0.023944 0.017717 0.053819 26O 2pz 0.057205 -0.086321 -0.026430 -0.075807 0.109650 0.199871 26O 2px -0.037014 0.198018 0.177555 0.113451 0.022951 0.021843 26O 2py 0.033779 0.014958 0.033919 -0.059753 0.063972 0.101427 26O 3pz -0.450082 0.506456 0.182492 0.385289 -0.479565 -1.252150 26O 3px 0.831036 0.246519 0.166544 0.534770 -0.788189 -0.847042 26O 3py 0.006546 0.484486 -0.050985 0.470727 -0.815339 -0.933128 26O 1dz2 -0.001529 -0.002150 -0.002768 -0.003739 0.002309 0.003152 26O 1dxz -0.003712 0.006342 0.000792 -0.000282 0.001904 -0.001619 26O 1dyz 0.002835 -0.000213 0.003298 0.001253 0.001889 0.001658 26O 1dx2y2 0.001955 0.003358 0.002653 0.003583 -0.004492 -0.003788 26O 1dxy 0.002266 0.006098 0.001851 0.002690 -0.005043 -0.002544 26O 2dz2 0.012852 0.021493 0.044197 0.022554 -0.018776 -0.023038 26O 2dxz -0.041060 0.010207 -0.002677 -0.011768 0.000941 -0.010529 26O 2dyz 0.006641 0.005061 -0.023656 0.002166 -0.021284 -0.021671 26O 2dx2y2 -0.026606 -0.028530 -0.009173 -0.018983 -0.003478 0.015900 26O 2dxy -0.041341 -0.033309 0.012074 -0.024905 0.004119 0.008120 26O 1f0 0.000148 -0.002674 0.000754 0.000135 -0.000944 0.000564 26O 1f+1 -0.001857 -0.003203 -0.002845 -0.001347 0.000109 0.001644 26O 1f-1 -0.002783 -0.002183 -0.001590 -0.000860 0.000606 0.000258 26O 1f+2 0.001917 0.002118 0.000793 0.001912 0.001092 -0.000270 26O 1f-2 -0.002040 0.000855 -0.000119 -0.001185 0.000956 -0.000094 26O 1f+3 -0.001424 -0.000043 -0.001162 -0.002307 -0.000643 0.000285 26O 1f-3 -0.002459 -0.003207 -0.001547 -0.003827 -0.000176 0.000538 27O 1s 0.000110 0.009739 -0.022050 0.002356 -0.004282 -0.004649 27O 2s 0.001164 0.021721 -0.047513 0.005671 -0.010480 -0.009370 27O 3s -0.021856 -0.000774 -0.028405 -0.015696 0.010601 -0.017519 27O 4s 0.098398 -0.384100 1.025717 -0.050014 0.102736 0.346171 27O 5s -0.377832 1.158638 -3.542173 1.404936 0.236832 -1.795776 27O 1pz 0.005406 0.006531 -0.021316 0.039296 0.008757 0.001235 27O 1px 0.026907 -0.026292 -0.009618 0.055914 -0.015897 0.028384 27O 1py 0.009031 0.015796 0.022409 -0.074421 -0.028641 0.009851 27O 2pz -0.024916 0.019791 -0.080301 0.160167 0.033075 -0.013083 27O 2px 0.010866 -0.132519 0.195075 -0.003920 -0.044708 0.114109 27O 2py 0.105915 0.025464 0.015228 -0.157537 -0.096108 0.001778 27O 3pz 0.302751 0.173709 0.109545 -0.725179 0.010321 0.265323 27O 3px -0.293477 0.235544 0.411439 -1.293283 -0.594432 0.559944 27O 3py -0.626983 0.000165 -0.118762 1.006511 0.674698 0.085063 27O 1dz2 0.001746 -0.001739 -0.004076 0.005075 0.002100 -0.005667 27O 1dxz 0.003848 0.001147 -0.000033 -0.000117 0.002241 0.001872 27O 1dyz 0.001990 0.000084 0.002617 -0.001723 0.001571 -0.000138 27O 1dx2y2 0.001191 -0.000783 0.004363 -0.006040 -0.004477 0.002452 27O 1dxy -0.000961 0.001894 -0.003474 0.003082 0.001261 -0.000384 27O 2dz2 -0.011717 0.009270 0.008426 0.007264 0.030106 -0.004636 27O 2dxz 0.012343 -0.013414 -0.002473 -0.000695 -0.001151 -0.002133 27O 2dyz 0.006825 -0.013498 -0.004539 0.005594 0.016784 -0.000946 27O 2dx2y2 0.032679 0.017978 -0.047933 0.061761 0.031462 -0.025287 27O 2dxy -0.020418 -0.020397 0.007192 -0.006914 -0.008892 0.015935 27O 1f0 -0.001854 -0.000507 -0.000844 0.000146 -0.000880 -0.001084 27O 1f+1 0.000545 0.000972 -0.002671 0.002805 -0.000047 0.000387 27O 1f-1 0.000225 -0.001051 0.000349 -0.001064 -0.000479 -0.000096 27O 1f+2 0.000359 0.000269 0.000810 0.000065 -0.000054 -0.000046 27O 1f-2 -0.001640 -0.001180 0.001158 -0.000862 -0.001082 -0.000963 27O 1f+3 0.002762 0.001974 -0.003210 0.002658 0.002463 -0.002916 27O 1f-3 -0.001380 -0.001719 0.003867 -0.001107 0.000165 0.000124 28O 1s -0.009653 0.022926 0.006714 0.004399 0.005805 -0.014898 28O 2s -0.021200 0.050427 0.015063 0.009735 0.010589 -0.034320 28O 3s -0.003349 0.015577 0.001292 0.004345 0.042393 0.002962 28O 4s 0.500931 -1.008578 -0.283596 -0.187762 -0.432638 0.544913 28O 5s -3.009150 3.170757 1.081053 0.572304 1.441553 0.157493 28O 1pz -0.058343 0.033094 0.006673 0.038558 -0.020021 0.049852 28O 1px -0.030277 0.009570 -0.004790 0.004164 0.025001 0.014830 28O 1py -0.037843 0.035082 0.016800 -0.013891 -0.011664 0.021002 28O 2pz -0.114568 -0.021693 0.017715 0.060648 -0.068448 0.041323 28O 2px -0.199338 0.181170 0.037467 0.030377 0.095724 0.056904 28O 2py -0.109796 0.080631 0.042542 0.023111 -0.028353 0.029173 28O 3pz 1.957706 -0.405446 -0.447956 -0.123215 0.188516 -1.135390 28O 3px -0.442497 0.188623 -0.081338 -0.013996 -0.128512 0.765679 28O 3py 0.538088 -0.230049 0.058825 -0.416535 0.297466 -0.450752 28O 1dz2 0.003699 -0.003462 -0.001456 -0.002820 0.000110 -0.001567 28O 1dxz -0.010568 0.005819 0.004861 -0.000398 0.001464 0.004145 28O 1dyz -0.003149 0.001375 0.001732 -0.000136 0.000379 -0.002158 28O 1dx2y2 0.003654 -0.003602 0.002500 -0.002414 -0.000231 -0.003014 28O 1dxy 0.001675 0.000613 -0.001317 0.004027 -0.000621 0.002164 28O 2dz2 -0.015184 0.005145 0.000959 -0.036051 -0.015546 -0.004540 28O 2dxz 0.030286 -0.027776 -0.010835 -0.007897 -0.003974 -0.048480 28O 2dyz -0.015940 -0.004795 0.025557 -0.003748 0.008400 -0.017554 28O 2dx2y2 -0.037679 0.028153 -0.012200 -0.025404 -0.021563 0.008470 28O 2dxy 0.008777 -0.025197 0.027784 0.004329 0.009928 -0.018372 28O 1f0 -0.001460 0.001491 -0.001125 -0.000083 0.000217 0.000899 28O 1f+1 -0.001914 0.003688 0.000691 -0.000180 0.000834 0.000678 28O 1f-1 0.002450 0.000487 -0.000418 -0.000637 0.000679 -0.000902 28O 1f+2 0.002151 -0.002248 0.000158 0.000207 -0.000808 -0.001837 28O 1f-2 0.002019 0.000103 -0.000532 0.001887 0.000959 0.000241 28O 1f+3 0.002646 -0.000861 0.001050 0.002095 0.001304 -0.000692 28O 1f-3 0.000851 0.001323 -0.000647 0.000814 0.001383 0.001166 29O 1s -0.000474 -0.001821 0.002049 0.000746 0.003677 0.008066 29O 2s -0.001675 -0.004384 0.004959 0.001879 0.007800 0.016455 29O 3s 0.009996 0.002603 -0.005782 -0.004225 0.006757 0.029091 29O 4s -0.037426 0.083806 -0.081284 -0.017013 -0.182611 -0.500807 29O 5s 0.135799 -0.249786 0.272805 0.070009 0.374405 1.158808 29O 1pz -0.006025 -0.007294 -0.004731 0.011137 -0.000830 0.009803 29O 1px -0.015473 -0.009507 0.006471 0.010532 0.007971 0.018681 29O 1py -0.017833 0.001866 -0.000727 -0.009569 0.012053 0.007594 29O 2pz -0.004568 -0.032073 -0.036696 0.019188 -0.033266 -0.033925 29O 2px -0.009627 -0.005986 0.000295 0.019341 0.038980 0.100906 29O 2py -0.006009 -0.050648 0.032307 0.003520 0.014876 -0.034925 29O 3pz 0.031896 0.237450 0.372814 -0.070503 0.356800 0.387688 29O 3px 0.077002 0.035710 0.122370 -0.014633 0.073865 -0.323957 29O 3py -0.124767 0.262708 -0.238399 -0.127328 -0.145664 0.006293 29O 1dz2 0.000777 0.002458 -0.000674 -0.001720 -0.001196 -0.001352 29O 1dxz -0.001565 0.000422 -0.001460 0.001248 -0.000183 0.001515 29O 1dyz 0.001317 0.001048 0.003213 -0.000140 0.002495 0.001933 29O 1dx2y2 -0.000393 -0.000202 0.000001 0.001291 0.001021 -0.000954 29O 1dxy -0.000751 0.000873 0.001476 -0.001548 0.001595 0.002204 29O 2dz2 -0.002766 -0.004764 -0.051955 -0.019661 -0.037253 -0.020836 29O 2dxz -0.003620 0.067122 0.037099 0.010772 0.062142 0.053306 29O 2dyz 0.001342 -0.015137 0.037674 0.021865 0.016345 -0.002094 29O 2dx2y2 -0.011234 -0.003785 0.034471 0.005542 -0.005447 -0.025435 29O 2dxy -0.023509 0.060264 -0.055242 -0.020854 -0.005735 0.016676 29O 1f0 -0.000339 0.000213 -0.000296 -0.000359 -0.000470 -0.001824 29O 1f+1 0.000062 0.001480 0.001770 0.000691 0.001656 0.001860 29O 1f-1 -0.000858 0.001515 -0.000516 -0.000322 0.000605 -0.000011 29O 1f+2 -0.000020 -0.001436 -0.001268 -0.000268 -0.001183 0.000530 29O 1f-2 -0.000464 -0.000621 -0.001631 -0.000854 -0.001008 -0.000689 29O 1f+3 0.000204 -0.000115 0.001814 0.000532 0.000645 0.000709 29O 1f-3 0.000015 0.000686 -0.000340 0.000384 0.000008 -0.000540 30O 1s 0.003617 -0.009629 0.017467 -0.017239 0.004002 -0.000008 30O 2s 0.009531 -0.020967 0.039363 -0.038590 0.007110 -0.000611 30O 3s -0.026403 -0.010450 -0.006902 -0.007715 0.028758 0.009153 30O 4s -0.067954 0.452071 -0.656796 0.754337 -0.319917 -0.078406 30O 5s 0.963074 -1.550432 1.905440 -1.838102 1.308404 0.779093 30O 1pz 0.045121 0.001770 0.015505 0.029954 -0.022320 0.018720 30O 1px 0.023363 -0.008751 0.009862 -0.005951 0.035198 0.021017 30O 1py -0.039219 -0.021851 -0.002872 -0.004702 0.009808 0.000950 30O 2pz 0.134129 0.026789 -0.029748 0.044928 -0.076571 -0.004436 30O 2px 0.125566 -0.083046 0.160424 -0.078733 0.138990 0.059357 30O 2py -0.124295 -0.056152 0.041725 -0.010883 0.046916 0.007185 30O 3pz -1.197965 -0.047793 0.019224 -0.168137 -0.163035 0.059882 30O 3px -0.194820 -0.111289 -0.247375 0.043768 -0.054754 0.231048 30O 3py 0.881487 -0.082223 0.039096 0.109225 -0.193173 0.403875 30O 1dz2 -0.003502 -0.000301 0.001290 -0.002656 -0.000052 -0.002084 30O 1dxz 0.005693 -0.000058 0.001425 -0.001850 0.004880 -0.001701 30O 1dyz 0.000548 -0.002558 0.002018 -0.000130 0.002588 0.003136 30O 1dx2y2 -0.002287 0.000746 0.003210 -0.000521 -0.000081 -0.001742 30O 1dxy -0.001666 0.003472 -0.004210 0.001938 0.001342 -0.003272 30O 2dz2 -0.011653 0.000728 -0.003194 -0.006995 0.000639 -0.019859 30O 2dxz -0.008238 -0.023780 -0.030019 -0.001298 -0.015625 -0.023877 30O 2dyz -0.032123 0.022565 -0.004871 0.006593 0.009453 0.013235 30O 2dx2y2 0.004410 -0.014024 0.007620 -0.004183 -0.001293 -0.017319 30O 2dxy 0.017788 -0.009380 0.014803 0.002788 0.014774 0.011150 30O 1f0 0.002797 0.000890 0.000274 0.000785 -0.000844 0.002055 30O 1f+1 0.000691 -0.000415 0.000578 0.000197 0.001423 -0.000589 30O 1f-1 0.000442 0.000411 -0.000075 0.000491 0.000599 -0.001119 30O 1f+2 -0.001128 -0.000296 -0.000276 0.000372 -0.002092 -0.000755 30O 1f-2 -0.000450 0.001038 -0.002598 0.001298 -0.002022 0.000092 30O 1f+3 -0.002090 -0.000737 0.003797 -0.001228 0.001433 0.001275 30O 1f-3 -0.001348 0.000494 -0.002545 0.000131 -0.002033 0.000249 31O 1s -0.004445 -0.009534 0.017324 0.016880 0.005399 0.000268 31O 2s -0.011363 -0.020708 0.039000 0.037917 0.010191 0.001107 31O 3s 0.026153 -0.011205 -0.005923 0.005708 0.030137 -0.008010 31O 4s 0.104468 0.452431 -0.654002 -0.728231 -0.387971 0.060972 31O 5s -1.102278 -1.559142 1.880954 1.728851 1.510894 -0.694534 31O 1pz 0.044612 -0.002776 -0.014617 0.028433 0.024310 0.020888 31O 1px 0.024847 0.009420 -0.008924 -0.003313 -0.036771 0.018975 31O 1py -0.040187 0.023350 0.002859 -0.003715 -0.011192 -0.000946 31O 2pz 0.130392 -0.031157 0.032172 0.039786 0.082429 0.002501 31O 2px 0.135983 0.083131 -0.156573 -0.067897 -0.147178 0.049309 31O 2py -0.125437 0.059462 -0.042232 -0.006951 -0.051447 0.002019 31O 3pz -1.217495 0.077946 -0.039796 -0.188485 0.141412 0.049658 31O 3px -0.189934 0.120973 0.248813 0.041120 0.031764 0.245851 31O 3py 0.913037 0.082049 -0.021129 0.095724 0.191754 0.421278 31O 1dz2 0.003546 -0.000513 0.001120 0.002646 0.000064 0.002016 31O 1dxz -0.005933 0.000174 0.001378 0.001434 0.004925 0.001846 31O 1dyz -0.000802 -0.002606 0.002045 -0.000066 0.002855 -0.002909 31O 1dx2y2 0.002300 0.000653 0.003310 0.000503 -0.000137 0.001882 31O 1dxy 0.001923 0.003584 -0.004162 -0.002007 0.001037 0.003325 31O 2dz2 0.012371 0.000938 -0.003541 0.007386 0.000243 0.019497 31O 2dxz 0.009028 -0.022737 -0.029424 0.002856 -0.016851 0.023556 31O 2dyz 0.033098 0.021498 -0.003842 -0.006898 0.009434 -0.013963 31O 2dx2y2 -0.004241 -0.013285 0.008077 0.004499 -0.002140 0.017564 31O 2dxy -0.018853 -0.009171 0.013989 -0.003356 0.015331 -0.010856 31O 1f0 0.002826 -0.000899 -0.000177 0.000724 0.000811 0.002139 31O 1f+1 0.000743 0.000337 -0.000600 0.000280 -0.001387 -0.000692 31O 1f-1 0.000429 -0.000439 0.000028 0.000551 -0.000510 -0.001126 31O 1f+2 -0.001165 0.000347 0.000188 0.000203 0.002156 -0.000621 31O 1f-2 -0.000577 -0.001038 0.002588 0.001165 0.002130 0.000287 31O 1f+3 -0.002017 0.000837 -0.003867 -0.001128 -0.001600 0.001104 31O 1f-3 -0.001448 -0.000535 0.002382 -0.000008 0.002024 0.000396 32O 1s 0.000453 -0.001940 0.002087 -0.001040 0.004180 -0.007788 32O 2s 0.001625 -0.004627 0.005080 -0.002524 0.008818 -0.015818 32O 3s -0.009973 0.002172 -0.006534 0.004154 0.008646 -0.029179 32O 4s 0.038036 0.090756 -0.079288 0.029912 -0.214163 0.488883 32O 5s -0.135578 -0.263338 0.269937 -0.098639 0.448210 -1.132139 32O 1pz -0.005991 0.007786 0.004494 0.010953 0.001275 0.010320 32O 1px -0.015287 0.010086 -0.007441 0.011449 -0.008156 0.017376 32O 1py -0.018210 -0.000931 0.001122 -0.008313 -0.012810 0.007160 32O 2pz -0.004813 0.031126 0.037134 0.016221 0.036509 -0.031127 32O 2px -0.009644 0.007458 -0.002666 0.023191 -0.045100 0.100035 32O 2py -0.004955 0.051065 -0.029846 0.004128 -0.011269 -0.037536 32O 3pz 0.038470 -0.234879 -0.373839 -0.037265 -0.382685 0.369938 32O 3px 0.077556 -0.040939 -0.103088 -0.010237 -0.043716 -0.335226 32O 3py -0.124983 -0.266784 0.220135 -0.138544 0.127531 0.030252 32O 1dz2 -0.000700 0.002454 -0.000823 0.001799 -0.001287 0.001336 32O 1dxz 0.001604 0.000314 -0.001463 -0.001288 -0.000246 -0.001533 32O 1dyz -0.001324 0.001227 0.003112 -0.000008 0.002564 -0.001778 32O 1dx2y2 0.000416 -0.000230 -0.000059 -0.001378 0.000785 0.001057 32O 1dxy 0.000785 0.000875 0.001364 0.001368 0.001759 -0.002140 32O 2dz2 0.003747 -0.004500 -0.051492 0.021448 -0.036617 0.017636 32O 2dxz 0.003641 0.066093 0.037273 -0.016902 0.064329 -0.051619 32O 2dyz -0.002085 -0.014129 0.036617 -0.021754 0.014051 0.004176 32O 2dx2y2 0.010659 -0.003743 0.034438 -0.005867 -0.008182 0.027278 32O 2dxy 0.025553 0.060240 -0.054576 0.020158 -0.003813 -0.018151 32O 1f0 -0.000293 -0.000160 0.000304 -0.000360 0.000613 -0.001809 32O 1f+1 0.000094 -0.001491 -0.001801 0.000831 -0.001770 0.001858 32O 1f-1 -0.000887 -0.001447 0.000686 -0.000324 -0.000497 -0.000115 32O 1f+2 0.000020 0.001510 0.001174 -0.000319 0.001112 0.000590 32O 1f-2 -0.000475 0.000644 0.001629 -0.000946 0.001048 -0.000626 32O 1f+3 0.000215 0.000125 -0.001775 0.000607 -0.000657 0.000660 32O 1f-3 -0.000034 -0.000718 0.000284 0.000430 0.000014 -0.000590 33O 1s 0.010287 0.022784 0.006821 -0.004970 0.004705 0.014996 33O 2s 0.022603 0.050094 0.015252 -0.010831 0.008092 0.034444 33O 3s 0.003498 0.016179 0.001952 -0.007626 0.042105 -0.001197 33O 4s -0.529625 -1.002115 -0.293817 0.226729 -0.391078 -0.556487 33O 5s 3.129576 3.097470 1.167885 -0.697536 1.422900 -0.118692 33O 1pz -0.058825 -0.030675 -0.007579 0.035767 0.020446 0.050249 33O 1px -0.031646 -0.009402 0.003201 0.006655 -0.025661 0.014274 33O 1py -0.039488 -0.033465 -0.016766 -0.015354 0.008982 0.021706 33O 2pz -0.114215 0.023390 -0.019485 0.052707 0.071190 0.040756 33O 2px -0.208297 -0.176853 -0.045106 0.039417 -0.097217 0.055566 33O 2py -0.114604 -0.076528 -0.043073 0.019540 0.026918 0.030633 33O 3pz 1.996215 0.350501 0.505128 -0.088499 -0.130242 -1.116139 33O 3px -0.460840 -0.160594 0.063423 -0.030763 0.082824 0.770620 33O 3py 0.568062 0.217359 -0.041993 -0.387691 -0.296269 -0.468712 33O 1dz2 -0.003810 -0.003230 -0.001453 0.002764 0.000255 0.001579 33O 1dxz 0.010891 0.005496 0.005155 0.000355 0.001782 -0.003954 33O 1dyz 0.003049 0.001254 0.001748 0.000185 0.000277 0.002215 33O 1dx2y2 -0.003902 -0.003432 0.002305 0.002389 -0.000199 0.003063 33O 1dxy -0.001536 0.000799 -0.001247 -0.004022 -0.000790 -0.002239 33O 2dz2 0.015592 0.005196 0.001803 0.036463 -0.012475 0.003395 33O 2dxz -0.031347 -0.025508 -0.011144 0.007683 -0.005668 0.048554 33O 2dyz 0.016384 -0.005530 0.025099 0.002717 0.007641 0.017843 33O 2dx2y2 0.038608 0.027305 -0.010884 0.026648 -0.018710 -0.010069 33O 2dxy -0.009595 -0.024128 0.028056 -0.005547 0.008686 0.019541 33O 1f0 -0.001551 -0.001402 0.001091 -0.000068 -0.000248 0.000976 33O 1f+1 -0.001997 -0.003584 -0.000702 -0.000127 -0.000882 0.000695 33O 1f-1 0.002427 -0.000505 0.000503 -0.000572 -0.000651 -0.000911 33O 1f+2 0.002230 0.002099 -0.000129 0.000142 0.000901 -0.001883 33O 1f-2 0.001984 -0.000203 0.000560 0.001948 -0.000799 0.000203 33O 1f+3 0.002714 0.000754 -0.000984 0.002179 -0.001056 -0.000811 33O 1f-3 0.000820 -0.001355 0.000674 0.000942 -0.001367 0.001147 34O 1s 0.000593 0.009611 -0.022550 -0.001983 -0.004449 0.003983 34O 2s 0.000384 0.021439 -0.048657 -0.004792 -0.010830 0.007895 34O 3s 0.022187 -0.000777 -0.027522 0.015287 0.011055 0.016718 34O 4s -0.129118 -0.379682 1.044701 0.037063 0.113439 -0.315954 34O 5s 0.488059 1.135170 -3.638928 -1.396583 0.063469 1.755312 34O 1pz 0.004532 -0.006624 0.022658 0.039436 -0.005571 0.000196 34O 1px 0.027725 0.026121 0.009221 0.055449 0.018751 0.027607 34O 1py 0.008852 -0.016191 -0.022745 -0.076423 0.022399 0.012602 34O 2pz -0.029323 -0.017930 0.084234 0.161007 -0.020987 -0.017212 34O 2px 0.018718 0.130952 -0.202362 -0.005132 0.038812 0.111753 34O 2py 0.106229 -0.027709 -0.014588 -0.164014 0.084998 0.011285 34O 3pz 0.323466 -0.187212 -0.120933 -0.715759 -0.072421 0.290065 34O 3px -0.278974 -0.246855 -0.462220 -1.327306 0.463935 0.622222 34O 3py -0.637195 0.017359 0.121984 1.057876 -0.607156 0.015067 34O 1dz2 -0.001640 -0.001734 -0.004262 -0.005090 0.001451 0.005888 34O 1dxz -0.003990 0.001258 -0.000088 -0.000049 0.002357 -0.001834 34O 1dyz -0.002025 0.000082 0.002467 0.001648 0.001650 0.000173 34O 1dx2y2 -0.001431 -0.000595 0.004673 0.006322 -0.003915 -0.002740 34O 1dxy 0.001078 0.001939 -0.003377 -0.003198 0.001013 0.000546 34O 2dz2 0.011196 0.009203 0.010164 -0.009739 0.029601 0.005730 34O 2dxz -0.012974 -0.012870 -0.002186 0.000958 -0.001199 0.002142 34O 2dyz -0.007778 -0.013796 -0.005308 -0.006662 0.015576 0.002470 34O 2dx2y2 -0.031549 0.018204 -0.050745 -0.063945 0.024838 0.027327 34O 2dxy 0.019915 -0.020673 0.008826 0.007497 -0.007245 -0.016135 34O 1f0 -0.001881 0.000532 0.000789 0.000105 0.000928 -0.001027 34O 1f+1 0.000419 -0.000910 0.002874 0.002808 0.000272 0.000383 34O 1f-1 0.000282 0.001027 -0.000352 -0.001124 0.000397 -0.000080 34O 1f+2 0.000392 -0.000295 -0.000751 0.000069 0.000049 -0.000027 34O 1f-2 -0.001619 0.001178 -0.001237 -0.000932 0.001048 -0.000913 34O 1f+3 0.002654 -0.002010 0.003488 0.002789 -0.002071 -0.003060 34O 1f-3 -0.001332 0.001769 -0.003910 -0.001117 -0.000295 0.000120 35O 1s -0.000754 -0.017245 -0.008052 0.013282 -0.002584 0.005727 35O 2s 0.000158 -0.038350 -0.017011 0.030126 -0.006994 0.012528 35O 3s -0.041892 0.001994 -0.015729 -0.008234 0.017898 0.017745 35O 4s 0.218397 0.694895 0.452021 -0.544187 0.017015 -0.361976 35O 5s -0.269685 -2.692789 -1.708016 2.055677 0.504874 0.026571 35O 1pz -0.002250 0.023218 -0.003355 -0.020755 -0.048216 0.065503 35O 1px -0.046754 -0.002162 -0.049608 0.008665 -0.014992 0.046734 35O 1py -0.017019 0.016990 -0.007153 -0.021122 -0.022589 0.053802 35O 2pz 0.062075 0.088166 0.026646 -0.066393 -0.122678 0.197755 35O 2px -0.041185 -0.198867 -0.179419 0.118382 -0.017292 0.020563 35O 2py 0.033579 -0.011865 -0.030304 -0.051303 -0.074150 0.099498 35O 3pz -0.484064 -0.514259 -0.186522 0.338537 0.558235 -1.247095 35O 3px 0.810782 -0.271020 -0.160074 0.459963 0.854049 -0.824056 35O 3py -0.017219 -0.517711 0.024074 0.397689 0.882444 -0.898713 35O 1dz2 0.001437 -0.002306 -0.002874 0.003548 0.002720 -0.003147 35O 1dxz 0.003942 0.006152 0.000728 0.000165 0.001857 0.001687 35O 1dyz -0.002873 -0.000172 0.003214 -0.001393 0.001827 -0.001511 35O 1dx2y2 -0.001751 0.003311 0.002549 -0.003126 -0.004863 0.003599 35O 1dxy -0.002070 0.006306 0.001991 -0.002324 -0.005216 0.002280 35O 2dz2 -0.013438 0.021548 0.044274 -0.020364 -0.020763 0.023354 35O 2dxz 0.041716 0.009136 -0.001522 0.011473 0.001617 0.009911 35O 2dyz -0.006795 0.005140 -0.024862 -0.000055 -0.022898 0.021078 35O 2dx2y2 0.025764 -0.030475 -0.008877 0.019453 -0.001022 -0.016359 35O 2dxy 0.039877 -0.034718 0.012978 0.024579 0.006514 -0.007794 35O 1f0 0.000221 0.002623 -0.000846 0.000063 0.000876 0.000574 35O 1f+1 -0.001803 0.003288 0.002772 -0.001341 -0.000270 0.001723 35O 1f-1 -0.002765 0.002216 0.001494 -0.000839 -0.000702 0.000214 35O 1f+2 0.001928 -0.002117 -0.000692 0.001996 -0.000885 -0.000322 35O 1f-2 -0.002061 -0.000773 0.000109 -0.001113 -0.001054 -0.000133 35O 1f+3 -0.001381 0.000089 0.001106 -0.002314 0.000430 0.000375 35O 1f-3 -0.002403 0.003359 0.001567 -0.003875 -0.000125 0.000619 258 259 260 261 262 263 0.91526 0.91636 0.93548 0.94260 0.94386 0.95231 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s -0.000581 0.000076 -0.001286 -0.001653 -0.001478 -0.000399 0Rh 2s 0.000961 -0.001211 0.005009 0.004374 0.005701 0.001156 0Rh 3s -0.002801 -0.000303 -0.004425 -0.006962 -0.005117 -0.001617 0Rh 4s -0.003827 0.005993 -0.022965 -0.019323 -0.026149 -0.005125 0Rh 5s -0.008743 -0.014162 0.019074 -0.000459 0.021666 0.000570 0Rh 6s 0.059929 0.027732 0.057519 0.111451 0.064462 0.028260 0Rh 7s -0.272925 -0.131964 -0.861574 -0.508702 -1.096512 -0.136078 0Rh 8s -0.050673 -0.395656 0.379401 -0.115921 0.707910 -0.021041 0Rh 1pz -0.004977 -0.001003 0.002045 0.004397 -0.008746 -0.002813 0Rh 1px 0.009565 0.005410 -0.011389 0.024185 -0.009447 0.003115 0Rh 1py -0.014700 -0.013262 0.008950 0.008545 0.001695 -0.010362 0Rh 2pz 0.016810 0.003684 -0.006981 -0.014931 0.029559 0.009427 0Rh 2px -0.032016 -0.018522 0.039068 -0.081472 0.032697 -0.010384 0Rh 2py 0.049949 0.045112 -0.030467 -0.028887 -0.005663 0.034935 0Rh 3pz -0.005471 -0.007259 0.004080 0.005686 -0.009093 -0.001397 0Rh 3px 0.004976 0.011243 -0.025531 0.022583 -0.027260 0.000573 0Rh 3py -0.022079 -0.020942 0.014202 0.009673 0.000382 -0.009382 0Rh 4pz -0.066414 0.010220 0.017547 0.061854 -0.124690 -0.043997 0Rh 4px 0.144651 0.051577 -0.097763 0.330700 -0.057416 0.051569 0Rh 4py -0.177162 -0.156762 0.106852 0.114371 0.029523 -0.149410 0Rh 5pz 0.086847 -0.042763 0.011328 -0.134446 0.208654 0.051576 0Rh 5px -0.174665 -0.044257 0.034898 -0.364513 -0.031710 -0.070378 0Rh 5py 0.243846 0.225434 -0.151600 -0.164994 -0.051232 0.220099 0Rh 6pz -0.154153 1.260836 -0.713461 2.033619 -1.770600 0.382318 0Rh 6px 0.253620 0.156472 1.880452 -0.375638 2.314569 0.335785 0Rh 6py -2.301165 -2.127705 0.727814 1.422876 0.220386 -1.392230 0Rh 1dz2 -0.014125 -0.019442 -0.033231 -0.009527 0.018947 0.013785 0Rh 1dxz 0.006749 -0.003157 -0.015378 -0.003728 0.018650 0.007956 0Rh 1dyz -0.022913 0.006935 0.013795 0.002113 -0.009093 0.050215 0Rh 1dx2y2 -0.008705 -0.023498 -0.016099 0.004010 0.020520 0.007895 0Rh 1dxy -0.016589 0.010322 -0.005267 0.012888 0.011603 0.015349 0Rh 2dz2 0.002463 0.003940 0.008476 0.001749 -0.004944 -0.002660 0Rh 2dxz -0.002080 0.000713 0.003610 -0.000564 -0.002334 -0.001830 0Rh 2dyz 0.002735 -0.002330 -0.000176 0.000775 0.000108 -0.010609 0Rh 2dx2y2 0.001223 0.004023 0.002504 0.001604 -0.005273 -0.001705 0Rh 2dxy 0.002511 -0.001888 0.000953 -0.001141 -0.003817 -0.003678 0Rh 3dz2 0.018732 0.023523 0.032794 0.012249 -0.018477 -0.017216 0Rh 3dxz -0.005193 0.003624 0.016453 0.010027 -0.028957 -0.008863 0Rh 3dyz 0.035764 -0.004375 -0.028163 -0.007854 0.018754 -0.059107 0Rh 3dx2y2 0.012833 0.031438 0.022977 -0.014936 -0.019987 -0.009167 0Rh 3dxy 0.023710 -0.013324 0.006762 -0.021957 -0.007845 -0.016252 0Rh 4dz2 0.045254 0.072669 0.152899 0.035402 -0.086169 -0.048753 0Rh 4dxz -0.033055 0.011850 0.067525 -0.003586 -0.047775 -0.031474 0Rh 4dyz 0.051956 -0.040888 -0.008152 0.013544 0.003359 -0.190499 0Rh 4dx2y2 0.022205 0.077063 0.046764 0.017058 -0.097113 -0.030847 0Rh 4dxy 0.046566 -0.035854 0.020526 -0.026134 -0.066164 -0.062970 0Rh 5dz2 -0.031366 -0.187422 -0.446904 -0.128237 0.270470 0.057342 0Rh 5dxz 0.058359 -0.038379 -0.184966 0.017570 0.066659 0.057825 0Rh 5dyz 0.125154 0.118157 -0.162656 -0.170898 0.161840 0.313802 0Rh 5dx2y2 0.028380 -0.114306 -0.084471 -0.080698 0.274977 0.063471 0Rh 5dxy 0.021751 0.079931 -0.084409 -0.027677 0.228240 0.106646 0Rh 1f0 -0.007033 0.010881 -0.012352 -0.009187 -0.014795 -0.000196 0Rh 1f+1 -0.000219 0.003845 -0.003913 0.000341 0.018365 -0.003072 0Rh 1f-1 0.011973 0.009692 -0.000561 -0.011194 0.015807 0.010585 0Rh 1f+2 0.004691 0.007290 0.005836 0.019382 -0.002700 0.002684 0Rh 1f-2 0.011038 0.023333 -0.013272 0.002453 0.006374 0.006260 0Rh 1f+3 0.002679 -0.009349 0.021841 0.010430 0.024667 -0.002856 0Rh 1f-3 0.010523 0.007797 0.000966 0.001134 0.002132 0.006122 1Rh 1s -0.000598 -0.000102 0.001402 -0.001988 0.000878 -0.000391 1Rh 2s 0.001019 0.001231 -0.005299 0.005706 -0.004016 0.001170 1Rh 3s -0.002866 0.000162 0.004925 -0.008097 0.002654 -0.001564 1Rh 4s -0.004091 -0.006047 0.024230 -0.025444 0.018648 -0.005211 1Rh 5s -0.008622 0.013443 -0.018734 0.004872 -0.020572 0.001072 1Rh 6s 0.061066 -0.024335 -0.066280 0.125748 -0.026236 0.026475 1Rh 7s -0.281144 0.113806 0.907468 -0.802274 0.883368 -0.118059 1Rh 8s -0.066328 0.400653 -0.375526 0.095186 -0.710266 -0.002510 1Rh 1pz 0.004358 -0.000989 0.002084 -0.000785 -0.009837 0.002388 1Rh 1px -0.009583 0.004955 -0.010028 -0.020564 -0.016815 -0.003314 1Rh 1py 0.014323 -0.013300 0.009288 -0.007867 -0.001153 0.010731 1Rh 2pz -0.014702 0.003638 -0.007118 0.002711 0.033271 -0.007980 1Rh 2px 0.032075 -0.016993 0.034495 0.069035 0.057479 0.011054 1Rh 2py -0.048662 0.045242 -0.031610 0.026556 0.003956 -0.036193 1Rh 3pz 0.004500 -0.007299 0.004206 -0.001594 -0.010619 0.000741 1Rh 3px -0.004995 0.010861 -0.024486 -0.014169 -0.033321 -0.000766 1Rh 3py 0.021441 -0.021017 0.014617 -0.008075 -0.002633 0.009976 1Rh 4pz 0.059103 0.010570 0.018093 -0.011880 -0.139807 0.038833 1Rh 4px -0.144939 0.045254 -0.078333 -0.300771 -0.161426 -0.054298 1Rh 4py 0.172880 -0.157097 0.111191 -0.108567 -0.009419 0.153743 1Rh 5pz -0.076745 -0.043098 0.007515 0.053300 0.243510 -0.044273 1Rh 5px 0.175641 -0.037406 0.012554 0.357669 0.087687 0.073827 1Rh 5py -0.238435 0.225592 -0.157353 0.159849 0.005482 -0.225597 1Rh 6pz 0.070931 1.265180 -0.611452 -1.381171 -2.359150 -0.413168 1Rh 6px -0.281567 0.171614 1.879344 -0.287185 2.320067 -0.337227 1Rh 6py 2.274957 -2.132921 0.769770 -1.349765 -0.266378 1.415146 1Rh 1dz2 -0.014535 0.019417 0.032870 -0.001242 -0.020853 0.014227 1Rh 1dxz 0.006114 0.003197 0.015085 0.003209 -0.018962 0.007979 1Rh 1dyz -0.022648 -0.007494 -0.015312 -0.001651 0.009182 0.049830 1Rh 1dx2y2 -0.009058 0.023066 0.015731 0.010738 -0.018082 0.008549 1Rh 1dxy -0.016833 -0.010099 0.004062 0.015981 -0.006583 0.015489 1Rh 2dz2 0.002576 -0.003938 -0.008399 -0.000393 0.005199 -0.002782 1Rh 2dxz -0.001955 -0.000734 -0.003506 -0.001453 0.002054 -0.001864 1Rh 2dyz 0.002692 0.002439 0.000395 0.000746 0.000216 -0.010598 1Rh 2dx2y2 0.001269 -0.003899 -0.002553 -0.000222 0.005513 -0.001849 1Rh 2dxy 0.002523 0.001825 -0.000775 -0.002302 0.003206 -0.003693 1Rh 3dz2 0.019099 -0.023480 -0.032366 0.004120 0.021310 -0.017619 1Rh 3dxz -0.004411 -0.003619 -0.016280 -0.000629 0.030758 -0.008773 1Rh 3dyz 0.035399 0.005067 0.030386 0.000221 -0.020353 -0.058348 1Rh 3dx2y2 0.013371 -0.031066 -0.022023 -0.021105 0.013975 -0.009915 1Rh 3dxy 0.024160 0.013131 -0.005018 -0.023424 -0.000001 -0.016476 1Rh 4dz2 0.047277 -0.072591 -0.151717 -0.002410 0.092230 -0.050916 1Rh 4dxz -0.030695 -0.012122 -0.065924 -0.021988 0.044443 -0.031943 1Rh 4dyz 0.051111 0.042883 0.012156 0.013759 0.002298 -0.190114 1Rh 4dx2y2 0.023043 -0.075087 -0.046932 -0.015809 0.097550 -0.033425 1Rh 4dxy 0.046964 0.034741 -0.017079 -0.046175 0.053475 -0.063430 1Rh 5dz2 -0.038039 0.186703 0.449614 -0.009659 -0.296029 0.064489 1Rh 5dxz 0.052677 0.038244 0.182803 0.046382 -0.057581 0.060264 1Rh 5dyz 0.126468 -0.121327 0.167321 -0.098180 -0.214575 0.316633 1Rh 5dx2y2 0.028881 0.111447 0.086122 0.013282 -0.288359 0.068824 1Rh 5dxy 0.022154 -0.076057 0.082358 0.050018 -0.224778 0.108402 1Rh 1f0 0.007062 0.010887 -0.012925 0.012913 -0.011280 -0.000252 1Rh 1f+1 0.000511 0.003555 -0.003595 -0.006637 0.017112 0.003238 1Rh 1f-1 -0.010959 0.009664 -0.000857 0.004991 0.018631 -0.010069 1Rh 1f+2 -0.005633 0.006813 0.006989 -0.016514 -0.008829 -0.002978 1Rh 1f-2 -0.010784 0.023192 -0.012979 -0.005635 0.004999 -0.006642 1Rh 1f+3 -0.002626 -0.009750 0.022657 -0.016603 0.020225 0.003860 1Rh 1f-3 -0.010283 0.007910 0.001239 -0.001913 0.001993 -0.006283 2C 1s -0.000848 0.001999 0.000200 0.001361 0.001536 0.004323 2C 2s -0.001117 0.004332 0.000839 0.001645 0.003708 0.009819 2C 3s -0.059517 0.019032 -0.033815 -0.005243 -0.006007 0.118990 2C 4s 0.409960 -0.171632 0.213992 0.094965 -0.027980 -0.941345 2C 5s 1.114701 -0.948911 -0.928481 0.137372 -0.302075 -6.423963 2C 1pz -0.013093 -0.008929 -0.038236 -0.075743 0.007850 -0.043482 2C 1px -0.056727 0.067756 -0.007004 0.064096 -0.032719 0.009334 2C 1py 0.030144 0.023429 0.029821 -0.052476 -0.042694 -0.013781 2C 2pz 0.013635 -0.140089 -0.073557 -0.321125 0.146667 -0.536899 2C 2px -0.162675 0.042116 0.078930 0.200207 -0.398643 0.143619 2C 2py 0.281407 0.080165 0.129365 -0.262687 -0.207121 -0.235778 2C 3pz 0.270053 -0.357934 -0.648648 -0.217312 -0.179229 -1.611672 2C 3px -0.104817 0.018190 0.230405 0.418542 0.034024 -0.539896 2C 3py 0.285958 -0.047548 0.326913 -0.229617 -0.007935 -0.969157 2C 1dz2 -0.000651 -0.004340 -0.003966 0.003323 0.000791 -0.005990 2C 1dxz 0.005641 -0.004453 0.003648 -0.003653 -0.003303 0.000173 2C 1dyz 0.000432 0.002739 0.000659 0.004795 0.001463 -0.001615 2C 1dx2y2 -0.000323 -0.001294 0.000579 0.000609 -0.004204 0.005913 2C 1dxy -0.000160 -0.002484 0.001621 -0.000234 -0.000969 0.001367 2C 2dz2 0.065097 0.090068 -0.137204 -0.352337 -0.200003 0.062836 2C 2dxz 0.204721 0.190729 -0.027815 -0.366746 0.359511 -0.224413 2C 2dyz -0.155380 0.063969 0.127878 -0.304722 -0.252746 0.131616 2C 2dx2y2 -0.083105 0.312811 0.131494 0.457548 -0.310083 0.177044 2C 2dxy -0.296789 -0.071665 -0.271497 0.041819 0.314330 -0.174003 2C 1f0 0.005310 0.013719 0.011445 0.007046 -0.015877 0.005664 2C 1f+1 -0.009028 -0.001048 -0.006144 0.000451 -0.001711 -0.001352 2C 1f-1 0.003104 -0.002285 -0.002683 -0.020247 0.007390 -0.019484 2C 1f+2 0.002611 -0.000439 -0.007014 -0.012561 0.012458 0.004351 2C 1f-2 0.013830 -0.000080 0.000652 -0.000130 0.004505 -0.015390 2C 1f+3 0.004722 0.008905 0.000050 -0.022149 -0.006020 0.007101 2C 1f-3 -0.010517 0.001007 0.002782 0.006317 -0.015197 0.010879 3C 1s 0.002149 -0.004079 -0.000373 0.002841 -0.000407 -0.003657 3C 2s 0.004270 -0.011196 -0.001240 0.006415 -0.001616 -0.008268 3C 3s 0.011295 0.088348 0.024983 -0.021785 0.023171 -0.131372 3C 4s -0.128747 -0.332841 -0.147090 0.127261 -0.133636 0.987095 3C 5s -2.202339 1.166209 0.319885 -0.888136 0.890328 5.911497 3C 1pz -0.096382 -0.054443 -0.037943 -0.073997 0.008550 0.020184 3C 1px 0.078878 0.032711 -0.000847 -0.053794 0.035011 0.046503 3C 1py 0.045414 -0.093384 -0.069444 0.053606 -0.020489 -0.005549 3C 2pz -0.424421 -0.345388 -0.062949 -0.321638 0.080844 0.302896 3C 2px 0.128806 0.171889 -0.255937 -0.323989 0.095414 0.159861 3C 2py 0.144419 -0.280233 -0.300161 0.216126 0.015431 -0.385011 3C 3pz -0.615516 -0.399765 -0.232241 -0.473136 -0.095193 0.674947 3C 3px 0.222166 0.133881 0.114678 -0.265959 0.572579 0.895719 3C 3py 0.663085 -0.548375 -0.192421 0.220752 -0.195607 -1.431347 3C 1dz2 0.000278 -0.001854 0.001079 -0.001149 0.000463 0.000881 3C 1dxz -0.004154 -0.001296 0.000246 0.003030 0.000619 -0.000112 3C 1dyz -0.005738 0.001426 -0.002734 -0.003740 -0.000316 -0.002930 3C 1dx2y2 -0.000909 0.003749 0.001558 -0.001104 0.003415 -0.007426 3C 1dxy 0.003831 0.001608 0.005470 0.001972 -0.002510 -0.000891 3C 2dz2 -0.101165 -0.400605 -0.351416 -0.077611 -0.117558 0.043063 3C 2dxz -0.375902 -0.058871 0.398083 0.096564 -0.204784 -0.057097 3C 2dyz -0.132482 -0.559796 -0.108734 0.408869 -0.048864 0.075531 3C 2dx2y2 0.542438 0.187103 0.149165 0.474317 -0.134198 0.089286 3C 2dxy 0.016116 0.115746 -0.219778 0.347662 -0.185847 -0.133809 3C 1f0 0.020515 0.010077 0.000825 0.028649 -0.008909 -0.005363 3C 1f+1 0.016164 0.012288 -0.007459 -0.002265 0.002630 0.000444 3C 1f-1 -0.002655 -0.017322 -0.010783 0.005726 0.001056 0.006231 3C 1f+2 0.003622 0.008331 0.000607 -0.004735 -0.000154 -0.018483 3C 1f-2 -0.004695 -0.001726 0.004021 0.003299 0.000633 -0.014318 3C 1f+3 -0.006511 0.013966 0.019469 -0.002354 -0.003756 0.002828 3C 1f-3 -0.013386 -0.017760 0.000555 0.016098 -0.011412 -0.000621 4C 1s -0.003555 -0.004579 -0.006419 0.002008 0.002351 -0.008300 4C 2s -0.010120 -0.011578 -0.017244 0.008739 0.007786 -0.017418 4C 3s 0.143219 -0.015275 0.105651 -0.260109 -0.106739 -0.160982 4C 4s -0.384766 0.406110 -0.143137 1.702227 0.515969 0.802927 4C 5s -1.604061 2.039338 0.925381 0.166048 -0.582024 5.518139 4C 1pz 0.022875 -0.038961 0.046896 -0.001467 0.008008 -0.034852 4C 1px 0.028747 -0.027454 -0.033407 0.006827 -0.103663 0.048949 4C 1py 0.043591 0.039040 0.022501 0.008081 -0.019586 -0.006245 4C 2pz -0.070423 0.014677 0.174257 -0.439260 0.130083 0.079513 4C 2px -0.036284 0.442631 -0.654241 0.003771 -0.302032 0.030701 4C 2py -0.064172 0.207516 -0.131107 -0.267131 -0.018100 0.068778 4C 3pz 0.990846 -0.272641 0.420884 0.300268 -0.224858 -3.837499 4C 3px -0.003585 0.965827 -1.015663 0.095844 -0.293359 -0.623376 4C 3py 0.499208 -0.168229 -0.809652 0.446317 -0.460021 -2.635422 4C 1dz2 0.002055 -0.003698 0.006005 -0.005519 0.000368 -0.007541 4C 1dxz 0.002305 0.003495 0.001866 -0.001827 -0.001831 -0.011797 4C 1dyz -0.001640 -0.000798 -0.004739 -0.000383 -0.004272 -0.006619 4C 1dx2y2 -0.004592 0.002553 -0.000001 0.005649 0.001008 0.012713 4C 1dxy -0.006869 0.001355 -0.002502 0.004021 0.003181 -0.001574 4C 2dz2 -0.099280 0.059608 0.055504 -0.037985 0.128027 0.124916 4C 2dxz 0.114292 0.179737 -0.286846 -0.045917 -0.006349 -0.034304 4C 2dyz -0.043527 0.042532 0.017660 -0.092617 -0.106811 0.546604 4C 2dx2y2 -0.068978 0.216669 -0.004348 0.089814 -0.074174 0.245817 4C 2dxy -0.217154 0.126211 -0.104781 0.004607 0.063637 0.142260 4C 1f0 0.000057 -0.004943 -0.007033 -0.006614 0.005707 -0.017415 4C 1f+1 0.012286 -0.006575 0.004277 -0.009173 -0.009598 -0.015962 4C 1f-1 0.006140 -0.005096 0.008378 -0.014556 0.001345 -0.007624 4C 1f+2 -0.010410 -0.002526 0.010224 0.015611 -0.001969 0.023615 4C 1f-2 -0.000303 0.003909 -0.003480 -0.003561 -0.006297 0.002392 4C 1f+3 -0.001770 -0.005585 0.015255 0.001341 -0.003185 0.003665 4C 1f-3 0.010317 -0.014050 0.015544 -0.009242 -0.001412 -0.016663 5C 1s 0.001195 -0.005920 -0.001334 -0.001820 0.002935 0.005203 5C 2s 0.005301 -0.017497 -0.004333 0.000021 0.007506 0.009497 5C 3s -0.211445 0.069278 0.023282 -0.252066 -0.063874 0.176429 5C 4s 1.047746 0.075989 -0.004458 1.684322 0.202752 -0.695202 5C 5s 2.075494 2.346834 1.119398 0.171293 -0.056198 -5.054901 5C 1pz -0.017027 -0.006271 0.014954 0.021069 0.021204 0.016773 5C 1px -0.024184 0.012525 -0.077377 -0.012142 -0.066280 -0.004978 5C 1py -0.002228 -0.019954 0.004741 -0.023816 0.034381 -0.032338 5C 2pz -0.166927 0.110655 0.241078 -0.272756 0.353370 -0.098951 5C 2px 0.270564 0.162070 0.022838 -0.041875 -0.585633 0.044073 5C 2py 0.185034 -0.228540 -0.342850 0.426702 -0.325048 0.109528 5C 3pz -0.875177 1.173467 0.253981 0.175518 0.649557 2.129595 5C 3px 0.108475 0.172235 0.279579 0.191412 -0.818153 1.441242 5C 3py 1.407124 -0.595937 -0.083109 0.109288 -0.538354 -3.582305 5C 1dz2 -0.006840 0.002031 -0.000504 -0.000751 0.000166 0.000610 5C 1dxz -0.000801 0.001841 0.004699 -0.001847 -0.001854 0.010630 5C 1dyz -0.000908 -0.009558 -0.003414 0.005105 -0.004895 -0.002739 5C 1dx2y2 0.008924 0.003343 0.001998 0.009177 0.001621 -0.012758 5C 1dxy -0.000358 -0.001505 0.001901 0.004290 0.000886 -0.009751 5C 2dz2 -0.199836 -0.234113 -0.247893 -0.150866 -0.007466 0.253474 5C 2dxz -0.022834 -0.191970 0.053453 0.100440 -0.137680 0.101249 5C 2dyz -0.030168 -0.102704 0.038777 0.032714 -0.057647 0.482677 5C 2dx2y2 0.197193 0.165091 0.022467 0.011638 -0.149202 0.061002 5C 2dxy -0.010465 0.019588 0.042524 0.037654 0.176610 0.201495 5C 1f0 0.002865 -0.003938 -0.002033 0.003220 -0.012979 0.006348 5C 1f+1 -0.016521 -0.010091 -0.003585 -0.007983 0.007839 0.010667 5C 1f-1 0.006590 0.007601 0.001707 0.003969 -0.004373 -0.002140 5C 1f+2 0.004807 0.004448 -0.006826 0.005546 0.008952 -0.005814 5C 1f-2 0.008071 0.008342 -0.000596 0.010182 0.015402 -0.016616 5C 1f+3 -0.015468 -0.006636 -0.008192 -0.021929 0.007443 0.016022 5C 1f-3 0.015926 0.011265 -0.001647 0.007203 0.005707 -0.021296 6C 1s 0.001266 0.006011 0.001391 -0.000836 -0.003541 0.005086 6C 2s 0.005478 0.017821 0.004369 0.002244 -0.007532 0.009238 6C 3s -0.213564 -0.076012 -0.018437 -0.255442 -0.019614 0.176056 6C 4s 1.053993 -0.044272 -0.049127 1.650414 0.350128 -0.680510 6C 5s 2.078326 -2.313525 -1.020408 0.107250 0.121881 -5.057185 6C 1pz 0.019119 -0.007298 0.016819 -0.026211 0.014062 -0.017575 6C 1px 0.025070 0.013787 -0.078424 0.029946 -0.059608 0.003676 6C 1py 0.002555 -0.019544 0.001881 0.012638 0.040994 0.033980 6C 2pz 0.165566 0.114476 0.231360 0.153153 0.419566 0.105395 6C 2px -0.272696 0.169465 0.014377 0.227140 -0.536636 -0.026101 6C 2py -0.181018 -0.236351 -0.325721 -0.309243 -0.442296 -0.124009 6C 3pz 0.868322 1.186948 0.310495 -0.395665 0.555680 -2.125805 6C 3px -0.115886 0.184879 0.302583 0.109991 -0.824741 -1.399329 6C 3py -1.387842 -0.628289 -0.155445 0.081301 -0.543761 3.605088 6C 1dz2 -0.007058 -0.002021 0.000423 -0.000446 -0.000428 0.000548 6C 1dxz -0.000843 -0.001884 -0.004812 -0.002493 0.001088 0.010447 6C 1dyz -0.001017 0.009640 0.003148 0.003245 0.006391 -0.002458 6C 1dx2y2 0.008960 -0.003137 -0.002028 0.009080 0.001460 -0.012966 6C 1dxy -0.000382 0.001549 -0.001881 0.004150 0.000619 -0.009656 6C 2dz2 -0.197023 0.231577 0.245900 -0.130938 -0.041207 0.260519 6C 2dxz -0.019982 0.190107 -0.057969 0.043702 0.162312 0.098831 6C 2dyz -0.035321 0.104085 -0.050697 0.010436 0.058304 0.478692 6C 2dx2y2 0.202310 -0.164162 -0.022658 -0.034367 0.142101 0.061982 6C 2dxy -0.010441 -0.017057 -0.050714 0.091226 -0.154819 0.206490 6C 1f0 -0.002872 -0.003894 -0.001952 0.001017 -0.013141 -0.006226 6C 1f+1 0.016593 -0.009897 -0.003530 0.004901 0.009937 -0.010912 6C 1f-1 -0.006705 0.007626 0.001774 -0.002303 -0.005493 0.002250 6C 1f+2 -0.004941 0.004447 -0.006738 -0.008296 0.006596 0.005533 6C 1f-2 -0.008261 0.007927 -0.000473 -0.014505 0.011077 0.016308 6C 1f+3 0.015660 -0.006194 -0.008578 0.017842 0.014044 -0.016221 6C 1f-3 -0.016268 0.011137 -0.001909 -0.008558 0.003035 0.021261 7C 1s -0.003788 0.004645 0.006340 0.003061 -0.001467 -0.008107 7C 2s -0.010772 0.011759 0.016723 0.011751 -0.004299 -0.016848 7C 3s 0.145204 0.014905 -0.082857 -0.282254 0.017270 -0.166345 7C 4s -0.379762 -0.400066 0.014622 1.760056 0.058412 0.815140 7C 5s -1.522296 -2.071750 -1.053846 -0.076882 0.575318 5.465365 7C 1pz -0.023567 -0.039722 0.046158 0.002583 0.009377 0.035791 7C 1px -0.028342 -0.027466 -0.033565 0.025037 -0.099931 -0.050145 7C 1py -0.044928 0.038277 0.022349 0.000254 -0.020772 0.006733 7C 2pz 0.072577 0.022605 0.151073 0.364466 0.266983 -0.067407 7C 2px 0.036678 0.444317 -0.660010 0.046092 -0.300760 -0.030456 7C 2py 0.065214 0.213572 -0.146924 0.237290 0.066273 -0.060415 7C 3pz -0.998558 -0.276189 0.345030 -0.211225 -0.330166 3.842541 7C 3px 0.003448 0.972687 -1.036138 -0.078190 -0.336016 0.606669 7C 3py -0.510973 -0.172945 -0.860685 -0.326258 -0.596980 2.631805 7C 1dz2 0.001931 0.003712 -0.005609 -0.005168 -0.002062 -0.007575 7C 1dxz 0.002254 -0.003491 -0.001432 -0.002282 0.001169 -0.011917 7C 1dyz -0.001441 0.000711 0.004869 -0.001338 0.004080 -0.006667 7C 1dx2y2 -0.004620 -0.002710 -0.000665 0.005734 0.000843 0.012757 7C 1dxy -0.006789 -0.001312 0.002263 0.005000 -0.001479 -0.001576 7C 2dz2 -0.095505 -0.058019 -0.053113 -0.002943 -0.137328 0.121713 7C 2dxz 0.112836 -0.179801 0.294694 -0.026558 -0.006512 -0.034576 7C 2dyz -0.044000 -0.052038 -0.021532 -0.121944 0.068208 0.549318 7C 2dx2y2 -0.057363 -0.219883 -0.006034 0.063137 0.095153 0.238206 7C 2dxy -0.212768 -0.125607 0.100465 0.031213 -0.051370 0.143567 7C 1f0 0.000196 -0.005093 -0.007862 0.003947 0.007400 0.017326 7C 1f+1 -0.012016 -0.006739 0.003070 0.011831 -0.006081 0.016013 7C 1f-1 -0.005852 -0.005142 0.007383 0.013556 0.006266 0.007941 7C 1f+2 0.010004 -0.002441 0.011727 -0.013351 -0.006482 -0.023704 7C 1f-2 0.000276 0.003901 -0.003804 0.004967 -0.004953 -0.002191 7C 1f+3 0.001763 -0.005579 0.015395 0.000676 -0.003233 -0.003699 7C 1f-3 -0.010137 -0.014189 0.014518 0.010182 0.001777 0.016893 8C 1s 0.002076 0.004159 0.000342 0.002482 0.001306 -0.003598 8C 2s 0.004059 0.011395 0.001146 0.005359 0.003622 -0.008108 8C 3s 0.013866 -0.089770 -0.020489 -0.013654 -0.027597 -0.133281 8C 4s -0.140386 0.339599 0.115169 0.084238 0.158242 0.996157 8C 5s -2.162615 -1.233849 -0.396794 -0.531311 -1.132569 5.897134 8C 1pz 0.095383 -0.052651 -0.040385 0.065069 0.031961 -0.021071 8C 1px -0.080277 0.035058 -0.002513 0.039317 0.051385 -0.044762 8C 1py -0.044988 -0.094701 -0.067110 -0.046292 -0.035855 0.002759 8C 2pz 0.426076 -0.338591 -0.067264 0.272796 0.185524 -0.300713 8C 2px -0.132894 0.182808 -0.265564 0.258479 0.193736 -0.161833 8C 2py -0.144612 -0.282600 -0.300978 -0.218776 -0.055158 0.375762 8C 3pz 0.603406 -0.385364 -0.240005 0.473951 0.062207 -0.686644 8C 3px -0.231025 0.146053 0.122467 0.062941 0.634141 -0.900265 8C 3py -0.657502 -0.564981 -0.210887 -0.143041 -0.255912 1.408906 8C 1dz2 0.000127 0.001866 -0.001025 -0.001135 -0.000861 0.000863 8C 1dxz -0.004193 0.001295 -0.000428 0.003012 0.000447 -0.000069 8C 1dyz -0.005659 -0.001559 0.002890 -0.003412 -0.000795 -0.002866 8C 1dx2y2 -0.000973 -0.003747 -0.001356 -0.000042 -0.003532 -0.007418 8C 1dxy 0.003874 -0.001595 -0.005473 0.000742 0.002990 -0.001079 8C 2dz2 -0.102415 0.400336 0.349952 -0.098712 0.091464 0.056635 8C 2dxz -0.369697 0.054363 -0.406746 0.007501 0.228613 -0.065103 8C 2dyz -0.144062 0.568138 0.085276 0.372329 0.173671 0.082065 8C 2dx2y2 0.548937 -0.175037 -0.165203 0.393990 0.275091 0.095468 8C 2dxy 0.019059 -0.113497 0.207023 0.278493 0.294001 -0.123326 8C 1f0 -0.020768 0.009483 0.001578 -0.024034 -0.017730 0.004891 8C 1f+1 -0.016131 0.012359 -0.007641 0.001241 0.003457 -0.000460 8C 1f-1 0.003164 -0.017491 -0.010315 -0.006004 -0.000521 -0.006492 8C 1f+2 -0.003774 0.008260 -0.000197 0.004555 0.001181 0.018581 8C 1f-2 0.004565 -0.001408 0.004101 -0.002826 -0.000529 0.014658 8C 1f+3 0.006221 0.014250 0.019324 0.004366 -0.002729 -0.002193 8C 1f-3 0.013660 -0.017968 0.001577 -0.011272 -0.016012 0.000437 9C 1s -0.000926 -0.001952 -0.000421 0.001685 -0.001059 0.004389 9C 2s -0.001339 -0.004204 -0.001272 0.002499 -0.003136 0.009981 9C 3s -0.057886 -0.021641 0.033115 -0.003776 0.005343 0.118588 9C 4s 0.405794 0.185196 -0.204909 0.063279 0.051570 -0.942133 9C 5s 1.102382 0.951766 1.080541 0.141033 0.392167 -6.416484 9C 1pz 0.011870 -0.008747 -0.045016 0.065339 0.032359 0.044727 9C 1px 0.054937 0.067190 -0.005484 -0.053328 -0.053313 -0.007428 9C 1py -0.029205 0.025380 0.026293 0.061911 -0.026200 0.013705 9C 2pz -0.014080 -0.142608 -0.106135 0.243375 0.247276 0.545815 9C 2px 0.156239 0.040650 0.085680 -0.063994 -0.441788 -0.135577 9C 2py -0.273812 0.085427 0.111294 0.310580 -0.122107 0.235292 9C 3pz -0.265579 -0.355770 -0.706444 0.218296 -0.106891 1.596024 9C 3px 0.094940 0.012427 0.236295 -0.400640 -0.111647 0.550705 9C 3py -0.280637 -0.044932 0.293859 0.213271 0.045184 0.985107 9C 1dz2 -0.000827 0.004406 0.003838 0.003552 0.000484 -0.005729 9C 1dxz 0.005544 0.004446 -0.003447 -0.004840 0.001756 0.000257 9C 1dyz 0.000455 -0.002655 -0.000948 0.004967 0.000181 -0.001714 9C 1dx2y2 -0.000332 0.001193 -0.000748 -0.000755 0.004206 0.005922 9C 1dxy -0.000126 0.002508 -0.001708 -0.000717 0.000796 0.001375 9C 2dz2 0.064815 -0.095226 0.161408 -0.380149 0.076177 0.062093 9C 2dxz 0.199650 -0.190863 0.050889 -0.224912 -0.456252 -0.224023 9C 2dyz -0.146813 -0.074678 -0.109115 -0.360332 0.146388 0.118923 9C 2dx2y2 -0.063410 -0.315931 -0.165865 0.322337 0.451321 0.176156 9C 2dxy -0.292716 0.067599 0.269515 0.160704 -0.276085 -0.174848 9C 1f0 -0.005666 0.013913 0.011986 -0.001122 -0.017621 -0.005677 9C 1f+1 0.008724 -0.000854 -0.006010 -0.000660 -0.002404 0.001390 9C 1f-1 -0.002697 -0.002238 -0.004338 0.016186 0.013376 0.019584 9C 1f+2 -0.001955 -0.000278 -0.007695 0.007750 0.015799 -0.005005 9C 1f-2 -0.013463 -0.000382 0.000372 -0.000744 0.004625 0.015059 9C 1f+3 -0.004916 0.009394 -0.001198 0.022041 0.001574 -0.006547 9C 1f-3 0.010153 0.001521 0.003084 -0.000599 -0.016571 -0.010833 10H 1s -0.010341 0.015361 0.000576 0.027161 -0.014279 0.011601 10H 2s 0.266659 -0.139560 -0.264225 -0.858794 0.738777 -0.265418 10H 3s -0.030958 -0.027380 0.035088 -0.013564 -0.258238 0.527959 10H 1pz 0.002929 0.006849 -0.007877 -0.030429 0.050896 -0.012894 10H 1px -0.011420 0.009114 0.023082 0.048688 -0.046919 0.021219 10H 1py 0.003643 0.007784 -0.007350 -0.008838 0.020893 -0.004536 11H 1s 0.017888 0.000706 0.013941 -0.008626 0.000633 -0.005634 11H 2s -0.611649 -0.090919 -0.187022 0.127037 -0.137971 0.283315 11H 3s 0.148273 0.021063 -0.045683 0.095567 0.012458 0.038417 11H 1pz -0.031590 -0.018959 0.001661 0.003560 -0.009238 0.030831 11H 1px -0.026533 -0.017287 -0.014305 -0.001436 -0.017449 0.016089 11H 1py 0.025531 0.000537 0.010083 -0.009550 0.000040 0.005739 12H 1s 0.000730 -0.005333 -0.000651 0.001646 0.007465 -0.006574 12H 2s 0.188034 0.516254 0.389819 -0.141138 -0.685348 0.520766 12H 3s -0.055472 -0.016105 0.205600 0.064044 0.269274 0.097973 12H 1pz -0.005884 -0.012125 -0.012142 0.003777 0.006147 0.004656 12H 1px 0.009903 0.005779 0.012183 -0.015759 -0.025359 0.017165 12H 1py 0.009815 0.029482 0.013902 -0.010029 -0.045871 0.041333 13H 1s 0.029027 0.010393 -0.000771 0.005215 0.000115 0.002851 13H 2s -0.871478 -0.499853 0.404977 -0.048009 -0.136209 -0.235511 13H 3s 0.053153 -0.067703 -0.321172 0.042820 -0.226496 -0.449720 13H 1pz -0.036976 -0.020214 0.034519 0.000629 0.001539 -0.012960 13H 1px 0.039783 0.020918 -0.017722 0.008132 0.009431 0.004464 13H 1py 0.000635 0.016958 -0.032492 -0.004551 -0.003972 0.001110 14H 1s -0.010868 0.005452 0.005712 0.018956 -0.002947 -0.008888 14H 2s 0.023786 -0.193285 -0.539669 -0.748251 0.351216 -0.087117 14H 3s 0.276763 -0.246306 0.097686 0.185656 -0.071738 -0.109982 14H 1pz 0.004910 0.002037 -0.014364 -0.026576 0.017912 -0.011159 14H 1px -0.013303 -0.005298 -0.039819 -0.050727 0.017195 -0.015989 14H 1py 0.008924 -0.006331 0.003388 -0.013640 0.011760 0.013492 15H 1s -0.017445 -0.023711 -0.016056 -0.000466 -0.004429 0.010317 15H 2s 0.494273 0.979804 0.468553 0.070789 -0.085016 -0.291022 15H 3s 0.028942 -0.253543 -0.118353 0.210922 0.026231 0.004764 15H 1pz -0.024421 -0.058334 -0.024865 -0.003082 0.001817 0.001158 15H 1px -0.002084 0.011806 -0.002308 -0.000973 -0.010810 -0.015404 15H 1py -0.028955 -0.050720 -0.014950 0.006019 0.010650 0.029161 16H 1s 0.017063 0.000452 0.006745 -0.016504 -0.006234 -0.009401 16H 2s -0.010814 -0.089875 0.316285 -0.345763 0.303199 -0.099965 16H 3s -0.033873 0.033465 -0.102737 -0.036589 -0.295309 -0.044553 16H 1pz -0.016294 -0.012282 0.006182 0.019626 0.011925 -0.005442 16H 1px -0.000131 -0.011753 0.027663 0.032252 -0.028688 -0.017190 16H 1py -0.008444 -0.002937 0.028112 -0.046179 0.016185 0.002119 17H 1s -0.021255 0.005261 -0.002982 -0.013440 0.003646 0.004442 17H 2s -0.016754 0.055385 0.246905 -0.186510 0.217580 0.054298 17H 3s 0.016943 0.033721 -0.146290 -0.026818 -0.187697 0.023128 17H 1pz 0.023962 0.024222 -0.010204 -0.024835 -0.011207 0.009847 17H 1px -0.048930 -0.018691 0.007123 -0.036179 0.033610 -0.014278 17H 1py -0.008675 -0.000776 0.023850 -0.061495 0.039138 -0.008202 18H 1s -0.020733 -0.005290 0.002918 -0.011999 -0.007608 0.003971 18H 2s -0.009199 -0.057187 -0.241993 -0.123101 -0.266641 0.051608 18H 3s 0.017139 -0.036431 0.149855 -0.076803 0.167553 0.020701 18H 1pz -0.023678 0.024902 -0.011834 0.024710 -0.003506 -0.011350 18H 1px 0.048592 -0.018228 0.005152 0.024871 0.043386 0.015604 18H 1py 0.008146 0.001254 0.019759 0.047869 0.057690 0.007463 19H 1s 0.016804 0.000106 -0.005355 -0.018189 -0.000249 -0.009911 19H 2s -0.007652 0.087586 -0.296723 -0.251563 -0.400763 -0.106636 19H 3s -0.027154 -0.032496 0.103278 -0.127936 0.267819 -0.047346 19H 1pz 0.015283 -0.012344 0.006841 -0.022246 0.003607 0.005767 19H 1px -0.000872 -0.013401 0.028482 -0.018485 -0.036753 0.018189 19H 1py 0.009482 -0.002364 0.025977 0.038556 0.029648 -0.002003 20H 1s -0.017696 0.023563 0.015707 -0.001322 0.003865 0.010977 20H 2s 0.504437 -0.979983 -0.459060 0.019985 0.112273 -0.304518 20H 3s 0.021425 0.258954 0.105137 0.212539 0.037961 0.000910 20H 1pz 0.025119 -0.058465 -0.024694 0.001459 0.003059 -0.002077 20H 1px 0.001622 0.012548 -0.002677 0.004406 -0.010372 0.015578 20H 1py 0.029956 -0.050584 -0.013568 -0.009579 0.008927 -0.029250 21H 1s -0.011091 -0.005042 -0.006434 0.016755 0.009185 -0.008618 21H 2s 0.024899 0.175243 0.571941 -0.566262 -0.575133 -0.084998 21H 3s 0.274805 0.255395 -0.101498 0.140427 0.125028 -0.103749 21H 1pz -0.004735 0.002669 -0.015802 0.018532 0.025849 0.011685 21H 1px 0.013248 -0.004024 -0.041984 0.040145 0.032154 0.015550 21H 1py -0.009276 -0.006003 0.002732 0.009474 0.015926 -0.013282 22H 1s 0.028999 -0.010285 0.000839 0.004938 0.001238 0.002766 22H 2s -0.876403 0.500319 -0.404597 -0.111078 0.114727 -0.245818 22H 3s 0.051638 0.071298 0.327793 -0.022480 0.231587 -0.443703 22H 1pz 0.036955 -0.020189 0.034514 0.000462 0.001343 0.013915 22H 1px -0.040025 0.020797 -0.017644 -0.011656 0.006379 -0.005171 22H 1py -0.000961 0.017222 -0.032962 0.003657 -0.002600 -0.002076 23H 1s 0.001091 0.005626 0.000844 0.003169 -0.007154 -0.006773 23H 2s 0.191289 -0.529783 -0.387494 -0.355983 0.617128 0.515645 23H 3s -0.053122 0.022985 -0.216499 0.129936 -0.235083 0.092220 23H 1pz 0.006203 -0.012315 -0.011967 -0.005579 0.005676 -0.004845 23H 1px -0.009824 0.006229 0.011150 0.023065 -0.018504 -0.016748 23H 1py -0.009910 0.030649 0.013965 0.023973 -0.041054 -0.041174 24H 1s 0.017633 -0.000533 -0.013518 -0.009137 -0.003413 -0.004921 24H 2s -0.593948 0.091770 0.187796 0.091697 0.166541 0.268437 24H 3s 0.144929 -0.021550 0.036144 0.087395 0.013271 0.047721 24H 1pz 0.031099 -0.018507 0.002139 -0.000828 -0.009692 -0.029718 24H 1px 0.026128 -0.017442 -0.014704 0.005931 -0.015794 -0.015706 24H 1py -0.024334 0.000110 0.009992 0.010030 0.002792 -0.006398 25H 1s -0.009806 -0.015190 -0.002025 0.021180 0.022857 0.011414 25H 2s 0.248242 0.137046 0.312973 -0.560906 -0.983856 -0.257241 25H 3s -0.030602 0.025785 -0.044486 -0.105413 0.231851 0.532717 25H 1pz -0.002355 0.006609 -0.009654 0.011650 0.058386 0.013110 25H 1px 0.010113 0.008736 0.026129 -0.029349 -0.060206 -0.020740 25H 1py -0.003349 0.008191 -0.007425 0.000797 0.022042 0.004376 26O 1s -0.005710 -0.012226 0.009408 0.008485 -0.016859 0.006222 26O 2s -0.012639 -0.027050 0.020984 0.017882 -0.038822 0.012868 26O 3s -0.010800 -0.004681 0.000664 0.028464 0.010290 0.029035 26O 4s 0.286969 0.590414 -0.478726 -0.483229 0.644773 -0.313149 26O 5s -0.229962 -2.508857 2.023746 0.791089 -0.761202 -0.219440 26O 1pz 0.060458 -0.028985 0.014403 -0.008876 0.020240 -0.019608 26O 1px 0.029482 0.006693 -0.018461 -0.050616 -0.025115 0.047153 26O 1py 0.040998 0.012491 0.008484 -0.020678 -0.014540 -0.001422 26O 2pz 0.149187 -0.072211 0.033523 -0.042746 0.031555 -0.129589 26O 2px 0.004916 0.125038 -0.094262 -0.109519 -0.039534 0.203768 26O 2py 0.069233 -0.001731 -0.058156 -0.057577 0.005713 -0.026129 26O 3pz -0.922112 0.110661 0.096963 0.732166 -0.315470 0.498048 26O 3px -0.534917 0.625915 -0.682779 1.026687 -0.269238 -0.199006 26O 3py -0.361926 0.803383 -0.041705 0.785732 -0.474383 0.582553 26O 1dz2 0.002162 -0.000298 0.001870 -0.002857 0.000037 0.002606 26O 1dxz -0.002518 0.000037 0.000254 0.003066 -0.000407 0.000970 26O 1dyz -0.001037 -0.001202 -0.002405 -0.001254 0.002230 0.004997 26O 1dx2y2 -0.001590 0.005111 -0.002649 0.001211 0.000056 -0.000385 26O 1dxy 0.000001 0.007134 -0.004464 0.002765 -0.000919 0.004975 26O 2dz2 -0.049015 0.040744 -0.014066 0.026100 -0.006861 -0.004810 26O 2dxz 0.012343 -0.003108 0.036982 0.003401 -0.003247 -0.021282 26O 2dyz -0.023086 -0.020161 -0.012543 0.003907 -0.007002 -0.006092 26O 2dx2y2 0.002583 -0.007349 0.024225 -0.013834 0.006732 -0.008337 26O 2dxy 0.006552 -0.017366 0.038126 -0.004354 0.000093 -0.020121 26O 1f0 0.000197 0.000899 0.000708 0.000363 -0.001455 0.000672 26O 1f+1 0.003217 -0.003106 0.003857 -0.000777 -0.001178 -0.004915 26O 1f-1 0.000397 -0.002575 0.003356 0.000879 -0.003320 -0.002811 26O 1f+2 -0.001542 0.000361 -0.000707 -0.001440 0.002079 0.001350 26O 1f-2 0.000038 -0.000183 0.000793 0.000890 -0.000368 -0.003868 26O 1f+3 0.001749 -0.000106 0.001446 -0.000757 0.000178 -0.002305 26O 1f-3 0.002553 -0.001992 0.002696 -0.001234 -0.000212 -0.003032 27O 1s 0.004396 0.013625 -0.019268 -0.004293 -0.003383 -0.002382 27O 2s 0.008835 0.030980 -0.042727 -0.010298 -0.008103 -0.004934 27O 3s 0.029562 0.005007 -0.012872 0.015721 0.006148 -0.014932 27O 4s -0.302404 -0.591825 0.857760 0.146336 0.045186 0.097268 27O 5s -0.205189 0.355197 -2.096661 -0.734869 0.751096 0.509730 27O 1pz -0.041729 -0.020166 -0.011900 0.026663 0.030730 0.004955 27O 1px -0.053604 -0.021223 -0.008729 -0.003553 -0.003267 -0.032696 27O 1py 0.055004 0.044025 -0.000019 -0.019574 0.015731 -0.023391 27O 2pz -0.136509 -0.024483 -0.013649 0.083637 0.013090 0.053108 27O 2px -0.027150 0.004092 0.060000 0.054431 -0.043430 -0.193857 27O 2py 0.154181 0.125659 0.040059 -0.052216 0.047004 -0.085834 27O 3pz 0.727800 0.215750 -0.243353 -0.544391 0.155406 -0.169218 27O 3px 1.277602 1.001760 0.068872 0.263806 -0.648353 0.382701 27O 3py -1.216975 -0.953921 -0.093360 -0.120342 0.044753 0.247777 27O 1dz2 -0.005305 -0.002207 -0.001391 0.000732 0.000432 0.001551 27O 1dxz 0.000377 0.000208 -0.002186 0.000395 -0.001417 -0.002988 27O 1dyz 0.001763 0.001237 -0.001425 -0.000914 0.003205 0.005002 27O 1dx2y2 0.003913 0.003836 0.002644 0.001623 -0.003652 0.001508 27O 1dxy -0.005891 -0.001195 -0.001308 -0.004721 0.003520 0.002586 27O 2dz2 0.015710 0.020018 -0.000995 -0.001566 -0.021542 -0.010361 27O 2dxz -0.002426 0.009496 -0.007301 0.006492 -0.001712 0.010334 27O 2dyz -0.030560 -0.024159 0.001129 0.004007 0.046053 0.005819 27O 2dx2y2 -0.047486 -0.027813 -0.000793 -0.031132 0.002880 0.004434 27O 2dxy 0.005354 -0.000712 0.001598 0.009648 -0.007968 -0.019522 27O 1f0 0.001373 -0.000492 0.001763 0.000183 -0.000413 -0.000727 27O 1f+1 -0.001928 -0.000019 0.000195 -0.001172 0.000504 0.002946 27O 1f-1 -0.000047 -0.000323 0.000410 0.000941 0.000604 0.000016 27O 1f+2 -0.000318 -0.000251 0.002620 -0.000213 -0.000495 -0.000156 27O 1f-2 0.001721 -0.000320 0.002141 0.000005 -0.000066 -0.003935 27O 1f+3 -0.003736 -0.001305 -0.002795 -0.001663 -0.000969 0.006102 27O 1f-3 0.002534 0.000779 0.002267 0.001635 -0.000996 -0.000759 28O 1s 0.000010 -0.000360 -0.003802 -0.004675 0.001299 0.003697 28O 2s -0.000303 -0.000563 -0.007391 -0.010377 0.002013 0.007737 28O 3s -0.000077 -0.004962 -0.018544 0.002337 0.016440 0.019550 28O 4s -0.026146 0.038003 0.321212 0.214118 -0.054171 -0.204218 28O 5s 0.651424 0.096598 -1.898670 -1.076267 -0.518335 -0.053265 28O 1pz -0.009380 0.042086 0.014131 0.035377 0.042164 -0.059577 28O 1px 0.027516 -0.013328 -0.004891 0.006317 -0.035398 0.001192 28O 1py 0.007885 0.019115 -0.024793 0.030376 0.035904 -0.035854 28O 2pz -0.047434 0.078344 0.071085 0.106233 0.098921 -0.086922 28O 2px 0.134513 0.003535 -0.063589 -0.062325 -0.065259 -0.108884 28O 2py 0.026001 0.051037 -0.006633 0.060352 0.045608 -0.084678 28O 3pz 0.200435 -0.542952 0.395393 -0.268137 -0.218924 0.964644 28O 3px -0.134244 0.035623 -0.715029 0.099308 -0.252256 0.022299 28O 3py -0.293090 -0.058559 0.054854 -0.171899 -0.009212 0.291361 28O 1dz2 -0.000547 0.000752 -0.000065 0.003701 -0.002544 0.003966 28O 1dxz -0.001769 0.003665 -0.006655 -0.000323 -0.000158 -0.004554 28O 1dyz -0.002913 -0.000341 0.005305 0.001289 0.000817 0.003997 28O 1dx2y2 -0.000571 0.001037 0.001110 -0.002787 0.001607 0.000188 28O 1dxy 0.002637 0.000573 -0.001339 -0.002995 -0.002389 0.001616 28O 2dz2 0.026519 -0.003255 -0.024092 -0.002310 -0.011734 0.002336 28O 2dxz -0.006809 -0.004317 0.011827 -0.003315 0.036195 0.038805 28O 2dyz 0.004739 -0.015103 0.036735 -0.034682 -0.045116 0.042240 28O 2dx2y2 0.013879 0.007274 -0.011468 -0.024362 0.007163 0.013559 28O 2dxy -0.002406 -0.001718 0.018657 -0.022324 -0.017415 0.044325 28O 1f0 0.002592 -0.002133 0.000012 -0.000823 -0.000817 -0.002748 28O 1f+1 0.001824 0.000420 -0.001348 -0.002328 0.002725 -0.002878 28O 1f-1 0.001795 0.000590 -0.001223 -0.000245 0.001987 -0.003192 28O 1f+2 -0.003192 -0.000010 -0.000320 0.002257 0.001347 0.005411 28O 1f-2 0.000588 -0.000005 -0.001153 -0.001224 0.001024 0.000792 28O 1f+3 -0.001427 -0.000908 -0.000141 0.000485 0.002589 0.000910 28O 1f-3 0.001492 0.000424 -0.000627 -0.000732 0.000001 -0.002865 29O 1s 0.000626 0.001947 -0.010342 0.004896 -0.012071 0.000714 29O 2s 0.000144 0.003422 -0.020506 0.007593 -0.024400 0.001179 29O 3s 0.019964 0.015827 -0.048984 0.060682 -0.050665 0.006935 29O 4s -0.111251 -0.168337 0.718604 -0.518178 0.802777 -0.064721 29O 5s 0.212149 0.426464 -1.730513 1.249085 -1.901136 0.141666 29O 1pz 0.008019 -0.003215 0.007051 -0.005522 0.019881 0.004035 29O 1px -0.008720 -0.012828 -0.022656 -0.010565 -0.031321 -0.000803 29O 1py 0.009685 -0.002107 0.006544 0.003431 0.010809 0.011163 29O 2pz -0.034298 -0.010452 0.046569 -0.014148 0.073461 0.014770 29O 2px 0.015543 0.015847 -0.145039 0.082216 -0.162412 0.019928 29O 2py -0.020208 -0.045845 0.049583 0.038576 0.050991 -0.010695 29O 3pz 0.058702 -0.105263 -0.105977 -0.193810 -0.185159 -0.178978 29O 3px -0.057174 -0.196464 0.584648 -0.268920 0.785460 -0.090598 29O 3py 0.171438 0.210394 0.091084 -0.373576 0.090630 0.092752 29O 1dz2 0.000664 0.000409 0.002431 -0.004021 0.001008 -0.001228 29O 1dxz -0.000550 0.000659 0.000009 -0.004232 0.001278 0.001010 29O 1dyz 0.000149 -0.001813 0.000601 -0.001871 0.000567 -0.002464 29O 1dx2y2 -0.000511 -0.001476 0.001971 0.000604 0.002530 -0.000247 29O 1dxy 0.002846 0.001136 -0.000928 0.000517 0.000364 0.000720 29O 2dz2 0.030662 0.021627 -0.007264 0.000133 -0.009644 0.023026 29O 2dxz 0.000081 0.001369 -0.032737 -0.024273 0.019327 -0.003442 29O 2dyz -0.014463 -0.010555 0.000276 0.022032 0.007402 -0.009275 29O 2dx2y2 -0.053787 -0.021944 0.045063 -0.096573 0.063151 -0.021117 29O 2dxy 0.031011 0.029183 -0.019897 -0.054966 -0.007359 0.027444 29O 1f0 -0.000934 -0.000914 0.001483 0.000452 0.002255 0.000274 29O 1f+1 -0.000551 0.000319 -0.001083 -0.000681 -0.000714 -0.000293 29O 1f-1 -0.000688 -0.000024 0.000440 0.000090 0.001145 0.000912 29O 1f+2 0.001213 0.001040 -0.000938 -0.000295 -0.002254 0.000789 29O 1f-2 0.001932 -0.000733 0.001183 -0.000624 0.000233 -0.000970 29O 1f+3 -0.001759 -0.000198 -0.000977 -0.002095 0.000016 -0.000425 29O 1f-3 -0.002286 -0.000701 -0.000216 -0.000777 -0.000155 0.000020 30O 1s 0.006509 0.005048 0.003449 0.002450 -0.009305 -0.005575 30O 2s 0.013909 0.012459 0.007962 0.004229 -0.020837 -0.011536 30O 3s 0.020625 -0.012067 -0.002968 0.026322 0.000921 -0.025924 30O 4s -0.347541 -0.162259 -0.069846 -0.199089 0.499635 0.301359 30O 5s 0.307599 -0.481711 -0.516743 0.341317 -2.446449 -0.202463 30O 1pz 0.038919 -0.008498 0.052849 0.027808 0.019213 0.054589 30O 1px -0.007280 -0.008525 -0.029702 0.017625 -0.034392 0.017537 30O 1py -0.027278 0.055657 -0.019431 -0.029954 -0.019448 -0.059721 30O 2pz 0.102768 -0.013445 0.072086 0.035337 0.090774 0.095526 30O 2px -0.076773 -0.065744 -0.055130 0.022107 -0.111571 0.130917 30O 2py -0.043976 0.097702 -0.055260 -0.058643 -0.079126 -0.117621 30O 3pz -0.375698 0.575276 0.182345 0.262927 0.306375 -0.796143 30O 3px 0.443200 -0.155062 -0.220169 -0.034297 -0.817558 -0.022582 30O 3py 0.119896 -0.994384 0.063489 0.133638 -0.089464 0.998488 30O 1dz2 0.004378 -0.001921 0.001757 0.001532 -0.002698 0.003171 30O 1dxz 0.002743 -0.003212 -0.003082 -0.002325 -0.004487 0.002450 30O 1dyz -0.002528 -0.001160 -0.000098 -0.000617 -0.004821 0.005319 30O 1dx2y2 -0.004387 -0.001796 0.001306 -0.002746 0.000890 0.000853 30O 1dxy -0.001976 0.002893 -0.001538 -0.001378 0.002066 -0.001417 30O 2dz2 0.024353 -0.024434 -0.010162 0.014886 -0.000508 0.034983 30O 2dxz -0.005593 0.003216 -0.014320 0.008797 0.041329 -0.012110 30O 2dyz 0.030596 -0.017446 0.051054 0.020507 0.035202 0.020644 30O 2dx2y2 0.005691 -0.016435 -0.007778 -0.010789 0.019042 -0.009841 30O 2dxy 0.008651 -0.022169 -0.021725 0.013503 -0.043673 0.057584 30O 1f0 -0.000693 0.000286 -0.001725 -0.001069 0.000044 0.000577 30O 1f+1 -0.001279 -0.000908 -0.001297 0.000183 -0.000207 0.001340 30O 1f-1 0.000280 0.000178 0.000556 -0.000852 -0.000736 -0.001285 30O 1f+2 0.001355 -0.000762 0.001094 0.000704 0.003148 -0.003680 30O 1f-2 0.003176 0.001340 0.000611 0.000368 0.004214 -0.002500 30O 1f+3 -0.002039 -0.001187 0.002796 0.001385 -0.000715 0.000840 30O 1f-3 0.002289 0.000432 0.000212 -0.000054 0.004109 -0.005250 31O 1s 0.006562 -0.004889 -0.003272 -0.000969 0.009314 -0.005516 31O 2s 0.014026 -0.012165 -0.007526 -0.003307 0.020472 -0.011376 31O 3s 0.020790 0.013342 0.002403 0.024047 0.007180 -0.026301 31O 4s -0.350369 0.150842 0.064011 -0.012418 -0.522790 0.300740 31O 5s 0.306323 0.493569 0.532264 -0.480243 2.388559 -0.219068 31O 1pz -0.038413 -0.008931 0.055136 -0.029460 0.009837 -0.052459 31O 1px 0.008028 -0.008485 -0.028463 -0.007304 -0.037810 -0.018252 31O 1py 0.027039 0.055869 -0.022438 0.033022 -0.008817 0.058643 31O 2pz -0.101777 -0.013927 0.075522 -0.057966 0.074983 -0.092479 31O 2px 0.078576 -0.064410 -0.050885 0.012208 -0.110932 -0.130651 31O 2py 0.044027 0.096938 -0.061579 0.077014 -0.055438 0.115925 31O 3pz 0.374321 0.565899 0.182912 -0.345797 0.199395 0.776861 31O 3px -0.441673 -0.155505 -0.234317 0.292438 -0.756256 0.028165 31O 3py -0.111116 -0.979191 0.090083 -0.079717 -0.128238 -0.974936 31O 1dz2 0.004435 0.001954 -0.001806 0.000376 0.002949 0.003208 31O 1dxz 0.002811 0.003182 0.003200 -0.003552 0.003424 0.002436 31O 1dyz -0.002582 0.001070 0.000060 -0.002149 0.004302 0.005197 31O 1dx2y2 -0.004326 0.001720 -0.001222 -0.002400 -0.001671 0.000807 31O 1dxy -0.001944 -0.002874 0.001569 -0.000435 -0.002373 -0.001263 31O 2dz2 0.024489 0.024869 0.008822 0.013967 0.005416 0.035694 31O 2dxz -0.005135 -0.002972 0.013933 0.021893 -0.035672 -0.011618 31O 2dyz 0.030686 0.018505 -0.052553 0.027662 -0.027716 0.018779 31O 2dx2y2 0.005788 0.016269 0.008186 -0.003577 -0.021196 -0.009928 31O 2dxy 0.007904 0.022149 0.019819 0.000875 0.045190 0.057767 31O 1f0 0.000769 0.000283 -0.001720 0.000868 0.000357 -0.000589 31O 1f+1 0.001291 -0.000911 -0.001229 -0.000198 -0.000286 -0.001372 31O 1f-1 -0.000339 0.000193 0.000493 0.001057 -0.000437 0.001310 31O 1f+2 -0.001422 -0.000821 0.001042 -0.001567 0.002721 0.003736 31O 1f-2 -0.003215 0.001297 0.000540 -0.001611 0.003868 0.002551 31O 1f+3 0.002085 -0.001199 0.002876 -0.000933 -0.001083 -0.000771 31O 1f-3 -0.002304 0.000398 0.000076 -0.001210 0.003871 0.005305 32O 1s 0.000488 -0.001872 0.010170 0.001331 0.013098 0.000877 32O 2s -0.000155 -0.003306 0.020314 0.000443 0.025732 0.001540 32O 3s 0.019736 -0.014991 0.045654 0.044693 0.068070 0.007163 32O 4s -0.103583 0.161235 -0.694788 -0.277063 -0.933610 -0.073019 32O 5s 0.193349 -0.410142 1.673566 0.679381 2.215929 0.159847 32O 1pz -0.007341 -0.003182 0.006462 -0.000990 0.020630 -0.003499 32O 1px 0.009277 -0.011959 -0.023988 0.018992 -0.026615 -0.000282 32O 1py -0.009591 -0.002259 0.006903 -0.006549 0.009550 -0.011531 32O 2pz 0.033323 -0.008184 0.044785 -0.006743 0.071851 -0.014717 32O 2px -0.014472 0.015125 -0.141292 -0.033455 -0.181448 -0.021627 32O 2py 0.020635 -0.046280 0.051040 -0.050208 0.036195 0.010101 32O 3pz -0.051508 -0.112110 -0.121041 0.233846 -0.110448 0.185110 32O 3px 0.059621 -0.192461 0.569794 0.030420 0.832037 0.092606 32O 3py -0.176121 0.210836 0.078595 0.334018 0.209941 -0.085214 32O 1dz2 0.000715 -0.000511 -0.002153 -0.003572 -0.002229 -0.001185 32O 1dxz -0.000589 -0.000764 0.000156 -0.003551 -0.002562 0.001026 32O 1dyz 0.000153 0.001818 -0.000526 -0.001816 -0.001361 -0.002529 32O 1dx2y2 -0.000512 0.001457 -0.002015 0.001268 -0.002208 -0.000226 32O 1dxy 0.002747 -0.001150 0.000892 0.000681 -0.000275 0.000803 32O 2dz2 0.029773 -0.021825 0.007073 -0.002526 0.008154 0.024620 32O 2dxz -0.002055 -0.000488 0.032756 -0.013834 -0.026219 -0.004251 32O 2dyz -0.014137 0.011039 -0.001867 0.020433 -0.001918 -0.010156 32O 2dx2y2 -0.054198 0.019789 -0.039356 -0.073825 -0.090455 -0.020792 32O 2dxy 0.029461 -0.030834 0.022460 -0.052598 -0.012017 0.029112 32O 1f0 0.000908 -0.000859 0.001455 -0.001060 0.001881 -0.000269 32O 1f+1 0.000573 0.000352 -0.001173 0.000828 -0.000541 0.000315 32O 1f-1 0.000658 -0.000003 0.000540 -0.000465 0.001007 -0.000970 32O 1f+2 -0.001149 0.001012 -0.000966 0.000963 -0.002054 -0.000772 32O 1f-2 -0.001948 -0.000683 0.001023 0.000513 0.000384 0.000911 32O 1f+3 0.001695 -0.000168 -0.001071 0.001950 0.000682 0.000429 32O 1f-3 0.002319 -0.000669 -0.000226 0.000827 0.000160 -0.000021 33O 1s 0.000551 0.000361 0.003837 -0.003977 -0.002693 0.004023 33O 2s 0.000944 0.000518 0.007508 -0.009158 -0.005132 0.008423 33O 3s -0.000301 0.005772 0.017175 0.008145 -0.015273 0.020590 33O 4s -0.047881 -0.042524 -0.319500 0.177253 0.119828 -0.224499 33O 5s 0.676528 -0.077119 1.957659 -1.097630 0.159519 0.010871 33O 1pz 0.010958 0.041683 0.014714 -0.047526 0.027504 0.061159 33O 1px -0.027625 -0.013772 -0.004781 0.005834 -0.035161 -0.001940 33O 1py -0.006869 0.018219 -0.023803 -0.041718 0.023519 0.035700 33O 2pz 0.049967 0.078789 0.074603 -0.130563 0.058342 0.089693 33O 2px -0.133998 0.001739 -0.071264 0.076656 -0.042090 0.107344 33O 2py -0.024535 0.049429 -0.005537 -0.072761 0.022864 0.084854 33O 3pz -0.230489 -0.539676 0.415489 0.362683 -0.097884 -0.966384 33O 3px 0.142521 0.034270 -0.712197 -0.051811 -0.285371 -0.029284 33O 3py 0.274768 -0.062272 0.062477 0.177996 0.047806 -0.297709 33O 1dz2 -0.000483 -0.000804 -0.000224 0.002665 0.003525 0.003975 33O 1dxz -0.001837 -0.003615 0.006840 0.000066 0.000202 -0.004446 33O 1dyz -0.002856 0.000356 -0.005492 0.001161 -0.000373 0.003905 33O 1dx2y2 -0.000558 -0.001059 -0.000950 -0.002154 -0.002504 0.000157 33O 1dxy 0.002519 -0.000710 0.001561 -0.003429 0.001252 0.001614 33O 2dz2 0.027429 0.002881 0.024753 -0.005689 0.009839 0.002612 33O 2dxz -0.006212 0.003678 -0.013147 0.007919 -0.036251 0.038857 33O 2dyz 0.005985 0.014492 -0.035088 -0.049960 0.030765 0.042232 33O 2dx2y2 0.014014 -0.007698 0.013022 -0.020554 -0.014706 0.012784 33O 2dxy -0.002094 0.000936 -0.018181 -0.027590 0.008328 0.044410 33O 1f0 -0.002579 -0.002167 -0.000126 0.001074 -0.000508 0.002767 33O 1f+1 -0.001806 0.000383 -0.001549 0.001284 0.003314 0.002890 33O 1f-1 -0.001840 0.000544 -0.001323 -0.000439 0.001933 0.003159 33O 1f+2 0.003213 0.000046 -0.000031 -0.002624 0.000542 -0.005426 33O 1f-2 -0.000551 0.000029 -0.001222 0.000765 0.001389 -0.000807 33O 1f+3 0.001479 -0.000894 -0.000058 -0.001307 0.002273 -0.000945 33O 1f-3 -0.001464 0.000421 -0.000741 0.000655 0.000261 0.002852 34O 1s 0.004451 -0.013574 0.019526 -0.003999 0.002055 -0.001701 34O 2s 0.008942 -0.030900 0.043375 -0.009813 0.004898 -0.003416 34O 3s 0.030012 -0.004220 0.011782 0.017929 -0.001057 -0.014631 34O 4s -0.307144 0.585905 -0.862755 0.099956 -0.002956 0.065746 34O 5s -0.204107 -0.345139 2.091352 -0.331340 -0.929834 0.605380 34O 1pz 0.042958 -0.020474 -0.009588 -0.035664 0.020083 -0.005434 34O 1px 0.054163 -0.020517 -0.009377 0.004598 -0.002830 0.033502 34O 1py -0.055177 0.043954 -0.001945 0.012944 0.021468 0.024158 34O 2pz 0.138574 -0.024820 -0.006661 -0.084155 -0.016030 -0.054744 34O 2px 0.027172 0.004204 0.056885 -0.032903 -0.059704 0.198450 34O 2py -0.155770 0.125825 0.035103 0.034825 0.062373 0.088927 34O 3pz -0.725811 0.212502 -0.275868 0.450341 0.331390 0.164418 34O 3px -1.289598 1.002790 0.076441 -0.048898 -0.686954 -0.372089 34O 3py 1.234576 -0.948373 -0.087585 0.101438 0.073124 -0.254608 34O 1dz2 -0.005190 0.002214 0.001266 0.000851 -0.000136 0.001675 34O 1dxz 0.000319 -0.000101 0.002223 0.000046 0.001456 -0.002898 34O 1dyz 0.001735 -0.001216 0.001363 0.000263 -0.003379 0.005034 34O 1dx2y2 0.004053 -0.003901 -0.002695 0.000239 0.003923 0.001347 34O 1dxy -0.005900 0.001083 0.001412 -0.003289 -0.004838 0.002589 34O 2dz2 0.016802 -0.020098 0.001301 -0.007488 0.019916 -0.010702 34O 2dxz -0.002089 -0.009559 0.006681 0.005907 0.003749 0.010810 34O 2dyz -0.030978 0.024283 -0.002223 0.018602 -0.042516 0.005118 34O 2dx2y2 -0.047798 0.027206 0.001310 -0.028536 -0.012518 0.005556 34O 2dxy 0.005503 0.000845 -0.001584 0.006809 0.010780 -0.020390 34O 1f0 -0.001428 -0.000469 0.001744 0.000053 -0.000440 0.000812 34O 1f+1 0.002012 0.000024 0.000253 0.000937 0.000853 -0.002980 34O 1f-1 0.000060 -0.000352 0.000455 -0.001054 0.000276 0.000009 34O 1f+2 0.000348 -0.000283 0.002608 0.000479 -0.000347 0.000220 34O 1f-2 -0.001768 -0.000341 0.002036 0.000126 -0.000053 0.004033 34O 1f+3 0.003758 -0.001261 -0.002669 0.001730 -0.000410 -0.006301 34O 1f-3 -0.002550 0.000707 0.002289 -0.001129 -0.001444 0.000809 35O 1s -0.005195 0.012256 -0.010036 0.001599 0.018534 0.006300 35O 2s -0.011464 0.027090 -0.022260 0.002196 0.042185 0.013037 35O 3s -0.010753 0.005042 -0.003844 0.029836 -0.001066 0.029276 35O 4s 0.264229 -0.593870 0.518642 -0.200122 -0.756840 -0.317796 35O 5s -0.199999 2.531019 -2.080164 0.316485 0.938259 -0.203432 35O 1pz -0.058516 -0.029684 0.013728 0.003365 0.023121 0.019448 35O 1px -0.028093 0.007459 -0.020538 0.054390 -0.006774 -0.047415 35O 1py -0.040023 0.012713 0.006765 0.024512 -0.005771 0.001332 35O 2pz -0.144925 -0.073907 0.028876 0.034755 0.046161 0.128445 35O 2px -0.003498 0.128321 -0.095331 0.108173 -0.002100 -0.203916 35O 2py -0.066518 -0.000920 -0.062599 0.049871 0.026724 0.025108 35O 3pz 0.891486 0.109783 0.151173 -0.584333 -0.548434 -0.494192 35O 3px 0.513926 0.622499 -0.638200 -0.932770 -0.612561 0.205669 35O 3py 0.330087 0.806893 0.012295 -0.603510 -0.718489 -0.573378 35O 1dz2 0.002140 0.000307 -0.001810 -0.002880 -0.001059 0.002673 35O 1dxz -0.002449 0.000038 -0.000547 0.002672 0.001438 0.001026 35O 1dyz -0.001114 0.001172 0.002324 -0.000354 -0.002554 0.005020 35O 1dx2y2 -0.001550 -0.005082 0.002641 0.001436 0.000547 -0.000378 35O 1dxy 0.000127 -0.007199 0.004262 0.002694 0.001790 0.004867 35O 2dz2 -0.047238 -0.040546 0.012774 0.022791 0.015699 -0.005303 35O 2dxz 0.013150 0.003591 -0.036673 -0.000712 0.004061 -0.021470 35O 2dyz -0.022568 0.019260 0.012546 0.001402 0.008668 -0.004911 35O 2dx2y2 0.002793 0.007785 -0.022996 -0.012621 -0.010813 -0.008384 35O 2dxy 0.007184 0.017818 -0.036923 -0.006804 -0.002102 -0.020669 35O 1f0 -0.000218 0.000899 0.000691 0.000146 -0.001480 -0.000626 35O 1f+1 -0.003224 -0.003160 0.003667 0.001382 -0.000808 0.004944 35O 1f-1 -0.000426 -0.002599 0.003286 0.000517 -0.003404 0.002789 35O 1f+2 0.001551 0.000391 -0.000685 0.000627 0.002417 -0.001333 35O 1f-2 -0.000080 -0.000227 0.000771 -0.000602 -0.000630 0.003854 35O 1f+3 -0.001808 -0.000124 0.001325 0.000768 0.000462 0.002357 35O 1f-3 -0.002563 -0.002070 0.002515 0.001410 0.000220 0.003030 264 265 266 267 268 269 0.96275 0.96683 0.96997 0.97403 0.98185 1.00035 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s 0.001027 -0.000525 0.000975 -0.001135 -0.001093 -0.000701 0Rh 2s -0.002828 0.003743 -0.002863 0.004975 0.007310 0.001993 0Rh 3s 0.004256 -0.000763 0.003929 -0.003571 -0.001882 -0.002870 0Rh 4s 0.012510 -0.017993 0.012750 -0.023212 -0.035016 -0.008826 0Rh 5s -0.000224 0.031752 -0.002180 0.026020 0.058941 0.000210 0Rh 6s -0.073211 -0.031971 -0.067008 0.022693 -0.046610 0.053091 0Rh 7s 0.340808 0.046298 0.304438 0.418511 -0.032977 -0.247098 0Rh 8s 0.223792 0.966612 0.101246 0.352010 1.297965 -0.078132 0Rh 1pz 0.012668 0.018472 0.013440 0.001362 0.004808 -0.008626 0Rh 1px 0.001363 -0.004071 0.000693 -0.008084 -0.017254 -0.000178 0Rh 1py -0.011614 0.000550 0.004763 0.010025 -0.011759 -0.005236 0Rh 2pz -0.042553 -0.062699 -0.045104 -0.004727 -0.016651 0.028823 0Rh 2px -0.004716 0.014297 -0.002500 0.027372 0.059218 0.000636 0Rh 2py 0.039086 -0.001783 -0.016091 -0.033868 0.040042 0.017516 0Rh 3pz 0.008202 0.025231 0.007699 0.003857 0.013708 -0.001823 0Rh 3px 0.003254 -0.016017 0.003623 -0.009080 -0.037840 -0.000652 0Rh 3py -0.008837 -0.001046 0.004876 0.010208 -0.018432 -0.001474 0Rh 4pz 0.193464 0.234007 0.208992 0.010894 0.031315 -0.147720 0Rh 4px 0.015780 -0.007854 0.001685 -0.113986 -0.157275 -0.002868 0Rh 4py -0.173669 0.014145 0.066330 0.140857 -0.141263 -0.089029 0Rh 5pz -0.279139 -0.311862 -0.290465 -0.018214 0.004546 0.221510 0Rh 5px -0.047438 -0.062266 -0.015017 0.190946 0.093830 0.017774 0Rh 5py 0.249231 -0.028031 -0.091283 -0.203280 0.188695 0.139145 0Rh 6pz 1.790888 0.974319 1.265445 0.335374 -0.885216 -0.868494 0Rh 6px 0.976474 1.489334 0.400843 -1.563480 1.812017 -0.310455 0Rh 6py -1.234951 0.064233 0.858461 0.988747 -0.676159 -0.753057 0Rh 1dz2 -0.000773 -0.017966 -0.007283 0.008137 -0.015882 -0.013337 0Rh 1dxz -0.001528 -0.002849 -0.013219 -0.029045 -0.025874 0.020875 0Rh 1dyz 0.001703 -0.001926 -0.022540 -0.015375 -0.000138 -0.032351 0Rh 1dx2y2 0.000363 0.007118 -0.002197 0.018580 0.021251 -0.006677 0Rh 1dxy 0.023295 0.016665 -0.005897 0.021445 0.003773 -0.002364 0Rh 2dz2 0.000721 0.003781 0.000320 -0.001958 0.004120 0.004237 0Rh 2dxz 0.000120 -0.000269 0.002975 0.005530 0.005782 -0.005041 0Rh 2dyz 0.002181 -0.001611 0.002831 0.002875 0.001509 0.008102 0Rh 2dx2y2 0.000870 -0.002513 0.000768 -0.002950 -0.005293 0.001348 0Rh 2dxy -0.005164 -0.004524 0.000489 -0.005208 -0.000946 0.000180 0Rh 3dz2 -0.001504 0.021473 0.013809 -0.008862 0.015340 0.009874 0Rh 3dxz 0.002696 0.006733 0.015046 0.036869 0.029166 -0.022462 0Rh 3dyz -0.012887 0.011108 0.035030 0.019932 -0.006363 0.032985 0Rh 3dx2y2 -0.004452 -0.003848 0.001362 -0.025740 -0.021336 0.008166 0Rh 3dxy -0.026839 -0.015392 0.010228 -0.022623 -0.003825 0.003898 0Rh 4dz2 0.012365 0.066913 0.009759 -0.033421 0.077272 0.071999 0Rh 4dxz 0.001607 0.003141 0.051327 0.107786 0.109777 -0.087647 0Rh 4dyz 0.032480 -0.027503 0.055529 0.053285 0.025901 0.147463 0Rh 4dx2y2 0.013027 -0.045428 0.012834 -0.064188 -0.099772 0.025123 0Rh 4dxy -0.088782 -0.081926 0.010973 -0.093634 -0.015680 0.007768 0Rh 5dz2 -0.067076 -0.095739 0.044397 0.088319 -0.241524 -0.243563 0Rh 5dxz 0.022249 0.014549 -0.096546 -0.290685 -0.282860 0.204462 0Rh 5dyz -0.230698 0.253858 -0.001865 -0.091565 -0.188259 -0.484980 0Rh 5dx2y2 -0.096862 0.136154 -0.052969 0.181773 0.246437 -0.050882 0Rh 5dxy 0.150831 0.271627 0.006200 0.277180 -0.017712 -0.048322 0Rh 1f0 0.012024 0.004267 0.004474 -0.001572 0.012424 -0.004458 0Rh 1f+1 -0.004951 -0.007142 0.000730 -0.014391 -0.001819 -0.000671 0Rh 1f-1 0.003110 -0.021672 -0.009188 -0.011497 0.020596 0.009525 0Rh 1f+2 0.012346 0.018740 0.007212 -0.019674 0.005922 -0.006377 0Rh 1f-2 0.007724 0.005879 -0.001159 -0.018429 0.011985 0.014783 0Rh 1f+3 -0.007970 -0.013714 -0.004123 -0.010102 -0.004036 0.003021 0Rh 1f-3 -0.011313 -0.003257 -0.006488 -0.017162 -0.003184 -0.010053 1Rh 1s 0.000994 0.000519 0.000880 0.001257 0.001154 -0.000781 1Rh 2s -0.002609 -0.003761 -0.002341 -0.005302 -0.007459 0.002398 1Rh 3s 0.004201 0.000717 0.003697 0.004079 0.002147 -0.003085 1Rh 4s 0.011464 0.018095 0.010278 0.024653 0.035655 -0.010731 1Rh 5s 0.001578 -0.032265 0.001445 -0.025860 -0.058597 0.002722 1Rh 6s -0.074965 0.033704 -0.068233 -0.032099 0.041174 0.053737 1Rh 7s 0.357253 -0.052029 0.327373 -0.373281 0.059159 -0.245975 1Rh 8s 0.265770 -0.977427 0.180799 -0.335995 -1.289164 -0.054335 1Rh 1pz -0.012188 0.018621 -0.013747 0.000126 0.004392 0.008143 1Rh 1px -0.000763 -0.003804 0.000379 -0.008191 -0.017313 0.000930 1Rh 1py 0.011683 0.000406 -0.005234 0.010089 -0.011532 0.005555 1Rh 2pz 0.040934 -0.063199 0.046159 -0.000584 -0.015254 -0.027173 1Rh 2px 0.002663 0.013398 -0.001168 0.027743 0.059422 -0.003211 1Rh 2py -0.039326 -0.001288 0.017669 -0.034084 0.039278 -0.018574 1Rh 3pz -0.007748 0.025289 -0.008371 0.003272 0.013499 0.000985 1Rh 3px -0.002082 -0.015834 -0.001585 -0.009325 -0.038020 0.002110 1Rh 3py 0.009097 -0.001348 -0.005084 0.010242 -0.018263 0.001324 1Rh 4pz -0.186556 0.236474 -0.211870 -0.008797 0.024744 0.142233 1Rh 4px -0.009554 -0.003825 0.009654 -0.115309 -0.157790 0.010682 1Rh 4py 0.173874 0.012765 -0.073985 0.141845 -0.137817 0.095359 1Rh 5pz 0.268695 -0.315959 0.292909 0.009471 0.013633 -0.214674 1Rh 5px 0.040740 -0.067743 0.002761 0.194907 0.095423 -0.025527 1Rh 5py -0.248642 -0.027447 0.103164 -0.204412 0.183579 -0.149811 1Rh 6pz -1.744110 1.003020 -1.259198 0.210031 -0.929645 0.855214 1Rh 6px -0.978367 1.506133 -0.399375 -1.628704 1.779456 0.283655 1Rh 6py 1.218627 0.080802 -0.925184 0.967521 -0.654470 0.861233 1Rh 1dz2 -0.000193 0.018121 -0.008233 -0.008979 0.015453 -0.013227 1Rh 1dxz -0.002539 0.002922 -0.015340 0.027796 0.025341 0.019308 1Rh 1dyz 0.001349 0.002087 -0.023168 0.013623 -0.000794 -0.032449 1Rh 1dx2y2 0.001652 -0.007558 -0.000937 -0.018232 -0.020877 -0.004444 1Rh 1dxy 0.023352 -0.017250 -0.004041 -0.021448 -0.003106 -0.003625 1Rh 2dz2 0.000571 -0.003829 0.000517 0.002043 -0.004028 0.004241 1Rh 2dxz 0.000338 0.000285 0.003385 -0.005276 -0.005706 -0.004723 1Rh 2dyz 0.002265 0.001464 0.002943 -0.002592 -0.001248 0.008121 1Rh 2dx2y2 0.000629 0.002551 0.000529 0.002935 0.005285 0.000803 1Rh 2dxy -0.005183 0.004588 0.000021 0.005165 0.000804 0.000439 1Rh 3dz2 -0.002090 -0.021586 0.014935 0.010253 -0.014836 0.009608 1Rh 3dxz 0.003868 -0.006951 0.017701 -0.035334 -0.028371 -0.020554 1Rh 3dyz -0.012504 -0.010811 0.035867 -0.017474 0.007191 0.033106 1Rh 3dx2y2 -0.006094 0.004601 -0.000199 0.025083 0.020584 0.005834 1Rh 3dxy -0.026872 0.016341 0.008343 0.022808 0.003022 0.005462 1Rh 4dz2 0.009846 -0.067801 0.013513 0.035299 -0.075557 0.072166 1Rh 4dxz 0.005665 -0.002939 0.059378 -0.103295 -0.108322 -0.081340 1Rh 4dyz 0.033990 0.025125 0.057569 -0.048058 -0.021240 0.147824 1Rh 4dx2y2 0.008330 0.046298 0.007814 0.063673 0.099423 0.015012 1Rh 4dxy -0.089116 0.083243 0.002665 0.093029 0.013278 0.012365 1Rh 5dz2 -0.059501 0.098918 0.036422 -0.086828 0.236690 -0.246434 1Rh 5dxz 0.012486 -0.016777 -0.116733 0.283658 0.282565 0.185461 1Rh 5dyz -0.234099 -0.242439 -0.004372 0.087926 0.170669 -0.486269 1Rh 5dx2y2 -0.087442 -0.135227 -0.040348 -0.184735 -0.251015 -0.020527 1Rh 5dxy 0.151223 -0.271150 0.029054 -0.274484 0.019796 -0.059057 1Rh 1f0 -0.011929 0.004296 -0.004562 -0.002036 0.012120 0.004155 1Rh 1f+1 0.005165 -0.007226 0.000047 -0.014148 -0.001861 0.001222 1Rh 1f-1 -0.003859 -0.021760 0.009668 -0.011002 0.020639 -0.009648 1Rh 1f+2 -0.011089 0.019041 -0.006218 -0.020475 0.005574 0.006175 1Rh 1f-2 -0.007366 0.006030 0.001956 -0.018523 0.011469 -0.015187 1Rh 1f+3 0.007953 -0.013638 0.004539 -0.009609 -0.003857 -0.002147 1Rh 1f-3 0.011693 -0.003318 0.007732 -0.016764 -0.002511 0.010241 2C 1s 0.000871 0.004587 -0.005450 -0.002105 -0.002932 -0.007178 2C 2s 0.001636 0.010761 -0.011506 -0.004020 -0.005091 -0.017193 2C 3s -0.025371 -0.018499 0.033380 -0.029424 -0.062374 -0.071310 2C 4s 0.137416 -0.056041 0.031102 0.201000 0.395941 0.757710 2C 5s 1.449062 -1.177740 -0.102115 0.648731 -0.081268 2.375920 2C 1pz -0.071073 -0.099463 0.078793 0.044161 0.072703 0.084944 2C 1px 0.005189 -0.094015 0.027617 0.002614 -0.016188 0.086152 2C 1py 0.069481 -0.042241 0.110876 -0.017564 0.004368 0.017898 2C 2pz -0.223915 -0.556221 0.529772 0.274142 0.462259 0.656613 2C 2px -0.085028 -0.364578 -0.234831 0.268248 0.161162 0.697508 2C 2py 0.183492 -0.199891 0.453024 0.018150 0.354589 0.285069 2C 3pz 0.004010 -0.533258 0.113946 0.198447 0.358422 0.740157 2C 3px 0.133561 -0.436791 -0.189210 -0.009924 0.215572 0.620024 2C 3py 0.639892 -0.313409 0.352532 0.101338 -0.276922 0.408935 2C 1dz2 0.005193 0.003398 0.001216 -0.005422 -0.005436 -0.005231 2C 1dxz 0.002615 0.002645 -0.006846 -0.001301 0.002114 -0.000238 2C 1dyz 0.001866 0.000709 -0.005971 0.000626 -0.001173 0.002147 2C 1dx2y2 0.001733 -0.002376 0.001171 -0.000910 0.001823 0.004416 2C 1dxy -0.004374 -0.001559 -0.007560 0.001305 0.002917 0.005510 2C 2dz2 -0.304033 -0.332599 0.278295 0.151316 0.583149 0.273050 2C 2dxz 0.165878 0.090279 0.682020 -0.262250 0.055399 -0.536634 2C 2dyz -0.076849 -0.803398 0.533645 0.257807 0.358380 0.764878 2C 2dx2y2 0.152250 -0.008486 -0.326213 -0.062171 -0.022746 0.223309 2C 2dxy -0.344705 -0.302237 0.114691 0.083082 0.060088 0.204264 2C 1f0 0.010310 -0.002442 -0.004707 -0.001763 0.008732 0.009893 2C 1f+1 -0.012017 -0.018703 -0.000256 0.009762 0.008110 0.025427 2C 1f-1 -0.006973 -0.021272 0.024374 0.004995 0.019386 0.017523 2C 1f+2 -0.004361 0.009094 0.011536 -0.005730 -0.002058 -0.027783 2C 1f-2 0.010831 0.017996 -0.003931 -0.005849 -0.006065 -0.011059 2C 1f+3 0.000791 -0.018073 0.030187 0.001075 0.014920 0.003949 2C 1f-3 -0.005485 -0.022295 -0.004636 0.009830 0.006941 0.031436 3C 1s -0.002132 -0.000198 0.004402 -0.005506 0.001793 0.008551 3C 2s -0.003511 -0.000462 0.009695 -0.011249 0.003764 0.019930 3C 3s 0.028778 -0.013968 -0.023461 -0.032963 0.010896 0.068042 3C 4s -0.096954 0.087067 -0.017907 0.295515 -0.167488 -0.796043 3C 5s -0.756453 0.150551 0.916953 1.518700 1.003945 -3.609573 3C 1pz 0.090550 -0.027001 -0.024655 0.034282 0.003049 0.030964 3C 1px 0.039858 -0.038867 -0.057632 0.045758 -0.088882 -0.013795 3C 1py -0.019114 -0.017324 0.075622 -0.116823 0.019850 0.155685 3C 2pz 0.462203 -0.244065 -0.192357 0.230789 -0.044539 -0.092112 3C 2px -0.188088 0.024462 -0.324672 0.492719 -0.225909 -0.254509 3C 2py -0.181279 -0.088993 0.402104 -0.733866 0.293683 0.986840 3C 3pz 0.439069 0.033420 0.101517 0.271438 -0.093508 -0.081942 3C 3px -0.022794 0.136346 0.034702 0.233776 -0.195823 -0.366133 3C 3py 0.304196 0.096055 -0.013628 -0.772990 -0.336769 1.401898 3C 1dz2 0.002328 0.003024 -0.001772 0.000667 0.000508 0.000623 3C 1dxz -0.003323 0.003744 0.003284 -0.001304 0.003565 -0.002846 3C 1dyz 0.003179 -0.000861 -0.002294 0.001875 0.000390 0.002689 3C 1dx2y2 -0.004738 0.006581 -0.005905 0.004814 -0.000959 -0.006093 3C 1dxy 0.009605 -0.003641 -0.000851 -0.000237 -0.002534 -0.004088 3C 2dz2 0.126061 0.018629 0.164535 -0.170291 -0.068749 0.463114 3C 2dxz 0.448838 -0.040842 0.057023 0.016861 0.048044 -0.269378 3C 2dyz 0.035412 -0.163699 0.557254 -0.894656 0.469827 0.727879 3C 2dx2y2 -0.303938 0.153744 0.394614 -0.493613 -0.050582 0.019300 3C 2dxy -0.576157 0.239769 0.272880 -0.224829 0.260300 0.039710 3C 1f0 -0.023675 0.011528 0.021061 -0.025738 0.007104 0.003118 3C 1f+1 -0.017015 0.006308 -0.004511 0.007054 -0.010408 -0.005297 3C 1f-1 -0.006104 -0.003507 0.010375 -0.017234 0.011897 0.020988 3C 1f+2 0.004908 -0.003371 -0.008736 0.007472 -0.003910 0.007706 3C 1f-2 0.009074 -0.000722 0.002197 -0.006700 0.006888 0.011070 3C 1f+3 0.004736 0.000816 -0.010564 0.020775 -0.007818 -0.034873 3C 1f-3 0.008763 -0.005130 0.019994 -0.027558 0.014308 0.018699 4C 1s 0.008081 -0.003910 0.000801 -0.001395 -0.001743 0.002357 4C 2s 0.021477 -0.005418 -0.002705 -0.005882 -0.008614 -0.000466 4C 3s -0.112814 -0.192106 0.299201 0.157079 0.280424 0.327245 4C 4s 0.239919 1.459969 -1.774602 -0.825489 -1.551397 -1.560894 4C 5s -2.008376 0.169136 0.878871 0.078471 0.131516 -1.043940 4C 1pz -0.018702 0.022422 0.033474 0.009140 0.032602 0.024235 4C 1px 0.007549 0.010838 -0.035177 0.047822 -0.010170 0.078738 4C 1py -0.033233 0.025665 0.010247 0.045163 0.022766 0.005223 4C 2pz -0.350836 -0.649309 0.599498 0.170217 0.792333 0.477354 4C 2px 0.081684 -0.498091 0.322034 -0.033763 -0.611181 0.187606 4C 2py -0.193979 -0.579307 0.466700 0.116982 0.259063 0.378990 4C 3pz 0.883913 -0.104412 -0.400383 0.482077 -0.227778 1.308144 4C 3px 0.504002 -0.496150 1.163407 -0.402621 -1.296212 -0.286723 4C 3py 0.192242 -0.322293 -0.062363 0.056781 -0.034895 0.696378 4C 1dz2 0.003331 -0.004363 0.002233 0.005983 0.000551 0.014469 4C 1dxz 0.003575 -0.004677 0.009728 0.001088 0.000339 0.000346 4C 1dyz -0.000643 -0.010147 0.000620 0.001589 0.008963 0.013687 4C 1dx2y2 0.001118 0.002627 -0.007116 -0.002317 -0.008837 -0.007202 4C 1dxy 0.001354 -0.006202 0.003098 -0.003006 -0.007078 -0.003448 4C 2dz2 -0.166485 0.066312 -0.080357 -0.005438 0.105765 -0.264058 4C 2dxz -0.001033 -0.037025 0.014492 -0.049693 -0.159091 -0.006198 4C 2dyz -0.038608 0.144029 -0.088160 -0.095983 -0.147941 -0.430295 4C 2dx2y2 -0.212688 -0.034092 -0.131331 0.107005 0.196578 0.080174 4C 2dxy -0.017938 -0.052331 0.075913 -0.065989 -0.355340 -0.130034 4C 1f0 -0.001469 -0.004707 0.010675 -0.000674 -0.002852 0.003642 4C 1f+1 0.003682 -0.009993 0.005786 0.009482 0.017383 0.026650 4C 1f-1 -0.005631 -0.009941 0.016698 0.008091 0.026398 0.013235 4C 1f+2 -0.002739 0.012979 -0.022611 -0.002475 0.001250 -0.012357 4C 1f-2 -0.001856 -0.010897 0.003191 0.005459 0.003203 0.015990 4C 1f+3 -0.003833 0.002372 -0.006635 0.005551 0.017355 0.006150 4C 1f-3 0.001584 -0.001883 0.005195 0.006790 0.023806 0.011178 5C 1s 0.000225 -0.002645 0.006886 0.005013 0.004712 -0.007879 5C 2s -0.001473 -0.007201 0.022123 0.006882 0.014726 -0.013803 5C 3s 0.158580 0.041030 -0.318093 0.308413 -0.196936 -0.297910 5C 4s -1.122790 -0.064287 1.380867 -2.314374 0.775722 1.722519 5C 5s 0.601586 0.435304 -2.088506 -1.221145 -1.523307 2.117863 5C 1pz 0.013147 0.043953 -0.025308 -0.020282 -0.000709 -0.002252 5C 1px -0.062271 -0.009298 -0.054883 0.061701 -0.018971 -0.004633 5C 1py -0.035294 -0.013855 0.019941 0.011134 0.020428 0.036260 5C 2pz 0.184414 0.135232 -0.361396 0.522620 -0.019331 -0.373047 5C 2px 0.204757 -0.612819 -0.310477 0.253276 -0.805461 -0.193852 5C 2py -0.347464 0.040456 0.630640 -0.851731 0.295256 0.555416 5C 3pz -0.944249 0.316421 0.315700 0.219322 0.805915 -1.451990 5C 3px 0.636115 -1.043488 0.075762 -0.221208 -0.881917 -0.592062 5C 3py 0.377996 -0.645007 -0.692161 -0.098471 -0.432923 1.585988 5C 1dz2 -0.003865 -0.001242 -0.004738 0.002494 0.006194 -0.001900 5C 1dxz 0.007686 -0.002231 -0.001108 0.003709 -0.005192 -0.007797 5C 1dyz 0.008422 0.001275 0.004369 -0.010971 -0.002345 0.011620 5C 1dx2y2 -0.001281 -0.004722 0.005218 -0.010288 0.003789 0.011588 5C 1dxy -0.004758 0.001578 0.002294 -0.005970 0.003757 0.007758 5C 2dz2 0.028016 -0.019709 0.044014 0.076799 0.060628 -0.105167 5C 2dxz 0.296420 -0.214521 0.159491 -0.138731 -0.219461 0.177512 5C 2dyz -0.090593 -0.068851 -0.047861 0.202946 -0.054104 -0.562206 5C 2dx2y2 0.031673 -0.129301 -0.054254 0.003001 -0.259756 -0.051374 5C 2dxy 0.085849 0.202685 0.045802 0.105848 0.035401 -0.179259 5C 1f0 -0.001661 -0.009780 0.006380 -0.011125 -0.003493 0.004187 5C 1f+1 0.003304 0.010401 -0.002510 0.012678 0.006333 -0.009754 5C 1f-1 -0.004080 -0.003280 0.000924 -0.000714 -0.004433 -0.001882 5C 1f+2 -0.015385 0.008605 0.008417 -0.008734 0.012611 0.011453 5C 1f-2 -0.008849 0.012630 0.012497 -0.016918 0.020380 0.018999 5C 1f+3 -0.002763 0.010515 -0.015740 0.029605 -0.000176 -0.022021 5C 1f-3 -0.012967 0.003340 0.001334 -0.008584 0.007409 0.020842 6C 1s 0.000324 0.002837 0.007409 -0.004460 -0.004665 -0.008541 6C 2s -0.001298 0.007709 0.023167 -0.005236 -0.014384 -0.015345 6C 3s 0.162236 -0.045109 -0.305363 -0.324950 0.184622 -0.304404 6C 4s -1.147389 0.087988 1.260006 2.368139 -0.720096 1.824335 6C 5s 0.575565 -0.546347 -2.205463 1.124675 1.497217 2.314789 6C 1pz -0.011838 0.045225 0.025445 -0.019067 0.000333 0.002588 6C 1px 0.060699 -0.009733 0.052940 0.067289 -0.017076 0.004822 6C 1py 0.034709 -0.014310 -0.021668 0.010154 0.020291 -0.034331 6C 2pz -0.199849 0.144942 0.321016 0.538505 -0.006426 0.381019 6C 2px -0.193735 -0.603786 0.330435 0.264001 -0.796398 0.220799 6C 2py 0.368490 0.022997 -0.579115 -0.878528 0.276151 -0.575805 6C 3pz 0.914579 0.272790 -0.376163 0.231854 0.832441 1.426823 6C 3px -0.624123 -1.047763 -0.007820 -0.243405 -0.904499 0.633886 6C 3py -0.381008 -0.577099 0.721489 -0.080305 -0.410640 -1.531538 6C 1dz2 -0.003523 0.001195 -0.004344 -0.002912 -0.006495 -0.002001 6C 1dxz 0.007564 0.002182 -0.001068 -0.003597 0.005124 -0.008110 6C 1dyz 0.008016 -0.001469 0.003492 0.011419 0.002951 0.011892 6C 1dx2y2 -0.001316 0.004524 0.004712 0.010691 -0.003494 0.011873 6C 1dxy -0.004794 -0.001690 0.002076 0.005992 -0.003615 0.008105 6C 2dz2 0.034624 0.025959 0.048868 -0.075459 -0.055892 -0.113563 6C 2dxz 0.285130 0.208770 0.137614 0.156576 0.235087 0.172941 6C 2dyz -0.088543 0.077063 -0.035639 -0.208543 0.038755 -0.578672 6C 2dx2y2 0.027620 0.130394 -0.066538 -0.007143 0.258963 -0.049560 6C 2dxy 0.087368 -0.201735 0.056908 -0.102049 -0.035700 -0.173242 6C 1f0 0.002097 -0.009999 -0.005352 -0.011573 -0.003694 -0.003857 6C 1f+1 -0.003655 0.010340 0.001402 0.012767 0.006487 0.009884 6C 1f-1 0.004193 -0.003343 -0.000684 -0.000680 -0.004332 0.001770 6C 1f+2 0.015393 0.008314 -0.008218 -0.008775 0.012354 -0.012406 6C 1f-2 0.008729 0.012505 -0.012354 -0.017497 0.019761 -0.020150 6C 1f+3 0.001996 0.010249 0.013794 0.030785 0.000701 0.022388 6C 1f-3 0.013088 0.003394 -0.001002 -0.008306 0.007143 -0.021871 7C 1s 0.008118 0.003497 0.000398 0.001758 0.002066 0.002665 7C 2s 0.021308 0.004218 -0.003792 0.006553 0.009280 -0.000071 7C 3s -0.098485 0.205064 0.307027 -0.143038 -0.273326 0.350303 7C 4s 0.149200 -1.523882 -1.787382 0.728355 1.503366 -1.736181 7C 5s -2.006627 0.006473 0.959277 -0.146780 -0.166991 -1.170486 7C 1pz 0.018147 0.022122 -0.035065 0.006863 0.032167 -0.026043 7C 1px -0.008409 0.009543 0.032287 0.050882 -0.011401 -0.081530 7C 1py 0.033087 0.024153 -0.013672 0.045274 0.024195 -0.006825 7C 2pz 0.303582 -0.674986 -0.608741 0.144211 0.778465 -0.518433 7C 2px -0.070201 -0.506311 -0.289893 -0.052753 -0.621185 -0.180790 7C 2py 0.170656 -0.600199 -0.465459 0.096309 0.250353 -0.400543 7C 3pz -0.918550 0.005205 0.388239 0.425825 -0.268891 -1.309672 7C 3px -0.462122 -0.503670 -1.108522 -0.497459 -1.330810 0.293680 7C 3py -0.195421 -0.242696 0.069103 0.013574 -0.044986 -0.637627 7C 1dz2 0.003880 0.004449 0.002332 -0.005834 -0.000104 0.015563 7C 1dxz 0.003635 0.004679 0.009601 -0.000252 -0.000091 0.000866 7C 1dyz -0.000186 0.010056 0.000611 -0.001585 -0.008770 0.013848 7C 1dx2y2 0.000934 -0.002672 -0.007177 0.001896 0.008706 -0.007813 7C 1dxy 0.001218 0.006050 0.002524 0.003168 0.007215 -0.003480 7C 2dz2 -0.168233 -0.066439 -0.074881 -0.004626 -0.116733 -0.273587 7C 2dxz -0.008944 0.036423 0.008549 0.052809 0.156222 -0.020686 7C 2dyz -0.045475 -0.133353 -0.088198 0.086861 0.139358 -0.448132 7C 2dx2y2 -0.206150 0.036463 -0.115687 -0.121694 -0.207593 0.067045 7C 2dxy -0.027784 0.057034 0.059536 0.064199 0.355752 -0.130177 7C 1f0 0.001256 -0.004555 -0.010198 -0.001487 -0.003265 -0.003824 7C 1f+1 -0.004337 -0.010098 -0.006191 0.009029 0.016789 -0.028156 7C 1f-1 0.004444 -0.010510 -0.017362 0.007199 0.026056 -0.014783 7C 1f+2 0.002978 0.013478 0.022122 -0.000984 0.001753 0.013481 7C 1f-2 0.001548 -0.011279 -0.003155 0.005541 0.002968 -0.016716 7C 1f+3 0.003401 0.002197 0.005867 0.006218 0.017461 -0.007115 7C 1f-3 -0.002254 -0.001923 -0.005932 0.006376 0.023468 -0.012615 8C 1s -0.002225 0.000267 0.004074 0.005671 -0.001584 0.008680 8C 2s -0.003726 0.000592 0.009012 0.011614 -0.003265 0.020105 8C 3s 0.029049 0.010605 -0.024861 0.034271 -0.009606 0.071110 8C 4s -0.097500 -0.069885 -0.005763 -0.308415 0.155330 -0.812335 8C 5s -0.706607 -0.039612 1.063887 -1.490996 -1.034144 -3.655922 8C 1pz -0.091555 -0.025038 0.023872 0.033475 -0.000395 -0.028493 8C 1px -0.038458 -0.038025 0.058953 0.048413 -0.088468 0.015460 8C 1py 0.021791 -0.018845 -0.066870 -0.119539 0.014723 -0.158900 8C 2pz -0.467837 -0.234313 0.184759 0.230711 -0.050969 0.115641 8C 2px 0.182886 0.020982 0.304183 0.523121 -0.210943 0.258603 8C 2py 0.193317 -0.090171 -0.356777 -0.751469 0.265507 -1.009996 8C 3pz -0.435480 0.025158 -0.108746 0.255850 -0.117463 0.096717 8C 3px 0.036053 0.122846 -0.046212 0.234913 -0.191541 0.366290 8C 3py -0.275384 0.120435 0.081121 -0.779752 -0.364943 -1.438761 8C 1dz2 0.002223 -0.003061 -0.001645 -0.000660 -0.000550 0.000471 8C 1dxz -0.003417 -0.003659 0.003414 0.001394 -0.003626 -0.002943 8C 1dyz 0.003249 0.000694 -0.002206 -0.001927 -0.000257 0.002499 8C 1dx2y2 -0.004680 -0.006678 -0.005440 -0.005276 0.000525 -0.005829 8C 1dxy 0.009516 0.003349 -0.000990 0.000513 0.002616 -0.004291 8C 2dz2 0.120831 -0.015344 0.145688 0.182237 0.088536 0.469554 8C 2dxz 0.446240 0.028337 0.065499 0.001860 -0.042793 -0.294707 8C 2dyz 0.023189 0.166159 0.511222 0.930031 -0.441037 0.734106 8C 2dx2y2 -0.318945 -0.137719 0.362707 0.508323 0.055413 0.047565 8C 2dxy -0.578109 -0.226696 0.269307 0.220178 -0.261345 0.055905 8C 1f0 0.024507 0.010875 -0.019856 -0.026253 0.006978 -0.004612 8C 1f+1 0.016581 0.005704 0.004822 0.008470 -0.010010 0.004666 8C 1f-1 0.006210 -0.003820 -0.009309 -0.017510 0.011262 -0.021283 8C 1f+2 -0.005055 -0.002944 0.008319 0.007560 -0.003823 -0.007914 8C 1f-2 -0.009152 -0.000231 -0.001779 -0.006779 0.006259 -0.010516 8C 1f+3 -0.005137 0.000984 0.009357 0.021562 -0.007014 0.035735 8C 1f-3 -0.008547 -0.005065 -0.018544 -0.028900 0.013091 -0.018280 9C 1s 0.000645 -0.004664 -0.005454 0.001766 0.002686 -0.007370 9C 2s 0.001188 -0.010887 -0.011455 0.003304 0.004496 -0.017412 9C 3s -0.026788 0.021004 0.030951 0.029875 0.063127 -0.079810 9C 4s 0.146548 0.042201 0.042333 -0.187124 -0.387451 0.804576 9C 5s 1.528702 0.991653 -0.132303 -0.533506 0.156335 2.401815 9C 1pz 0.065028 -0.100982 -0.080145 0.040181 0.071141 -0.086758 9C 1px -0.003856 -0.094276 -0.024844 0.002304 -0.017808 -0.085830 9C 1py -0.069999 -0.046627 -0.107674 -0.025576 -0.000418 -0.026569 9C 2pz 0.188108 -0.559713 -0.537948 0.241545 0.445874 -0.686836 9C 2px 0.073798 -0.366012 0.226568 0.293563 0.158052 -0.710156 9C 2py -0.192765 -0.220619 -0.446026 -0.010166 0.340069 -0.337447 9C 3pz -0.033107 -0.493883 -0.111237 0.166891 0.347072 -0.743001 9C 3px -0.129791 -0.410639 0.206876 -0.001785 0.216414 -0.617009 9C 3py -0.657208 -0.307401 -0.329412 0.055883 -0.311321 -0.475489 9C 1dz2 0.004873 -0.003578 0.000814 0.005663 0.005514 -0.005234 9C 1dxz 0.002564 -0.002691 -0.006815 0.000997 -0.002184 -0.000007 9C 1dyz 0.001854 -0.001027 -0.005869 -0.000914 0.001143 0.001770 9C 1dx2y2 0.001837 0.002528 0.001179 0.000945 -0.001629 0.004479 9C 1dxy -0.004195 0.001457 -0.007495 -0.001944 -0.003140 0.005407 9C 2dz2 -0.283339 0.350071 0.281700 -0.144893 -0.582123 0.294399 9C 2dxz 0.157690 -0.083820 0.662962 0.314407 -0.045019 -0.530824 9C 2dyz -0.037581 0.826388 0.537695 -0.232425 -0.337799 0.808290 9C 2dx2y2 0.144235 -0.007441 -0.328362 0.044131 0.021421 0.201808 9C 2dxy -0.326214 0.300427 0.114030 -0.081088 -0.063720 0.193117 9C 1f0 -0.009987 -0.002307 0.004845 -0.001583 0.008459 -0.010202 9C 1f+1 0.010759 -0.018571 0.000339 0.010212 0.007970 -0.025635 9C 1f-1 0.005852 -0.022184 -0.024454 0.003702 0.018934 -0.019309 9C 1f+2 0.004903 0.007980 -0.011652 -0.006214 -0.001612 0.027623 9C 1f-2 -0.009881 0.018186 0.003610 -0.006135 -0.005876 0.011150 9C 1f+3 -0.001878 -0.018670 -0.029811 -0.000955 0.013855 -0.004807 9C 1f-3 0.004688 -0.023393 0.003272 0.010681 0.007305 -0.032120 10H 1s 0.008398 -0.003671 -0.008391 -0.001556 -0.015696 0.023492 10H 2s -0.158171 0.269530 0.943674 -0.235556 0.092272 -1.006807 10H 3s -0.141245 0.133155 -0.228852 0.071144 0.007433 -0.015412 10H 1pz 0.000278 0.000768 0.059095 -0.021850 -0.005144 -0.053406 10H 1px 0.008507 -0.010204 -0.068786 0.011981 -0.004398 0.059919 10H 1py -0.012042 0.004299 0.014798 -0.009748 0.007988 -0.019152 11H 1s 0.020961 0.027286 -0.002260 -0.013496 -0.014621 -0.032577 11H 2s -0.624077 -0.853493 -0.142890 0.445545 0.188147 0.967805 11H 3s 0.014179 0.198562 -0.062374 -0.219157 0.145818 -0.214493 11H 1pz -0.021160 -0.038712 0.001711 0.029353 0.007866 0.045769 11H 1px -0.033244 -0.040222 -0.008619 0.025067 0.010203 0.046242 11H 1py 0.014942 0.034829 0.002077 -0.010177 -0.007464 -0.040325 12H 1s -0.018765 0.013540 -0.022869 0.001284 0.000077 -0.004590 12H 2s 0.365820 -0.286483 0.369686 -0.078231 0.251594 0.218489 12H 3s 0.070302 0.067804 0.029000 -0.078171 -0.278565 -0.133071 12H 1pz -0.017807 0.011137 -0.014811 0.008851 0.010098 -0.009838 12H 1px 0.004198 -0.000690 0.001508 0.007136 0.013184 0.003668 12H 1py 0.005718 -0.024294 0.021044 0.005593 0.035340 0.020156 13H 1s -0.013392 -0.000194 -0.003252 -0.011197 -0.015854 -0.000558 13H 2s 0.991484 -0.286655 0.028978 -0.178871 0.268121 0.190274 13H 3s -0.183778 0.099382 -0.056327 -0.012397 -0.016790 0.235065 13H 1pz 0.053381 -0.023517 -0.003105 -0.007824 0.014588 -0.001800 13H 1px -0.059725 0.015394 0.002646 0.001725 -0.005780 -0.009123 13H 1py -0.044420 0.018498 0.000784 0.013800 0.009528 -0.015218 14H 1s -0.016934 0.013412 0.013228 -0.019407 0.016544 -0.015076 14H 2s 0.214601 -0.238146 -0.556194 0.460600 -0.348626 0.475899 14H 3s 0.178822 0.068399 0.164177 -0.268076 -0.208956 0.213485 14H 1pz 0.001906 -0.010781 -0.030576 0.026585 -0.013699 0.005499 14H 1px 0.002329 -0.006059 -0.037916 0.044424 -0.006996 0.021785 14H 1py 0.011269 -0.009410 -0.002303 -0.005247 -0.016863 -0.000703 15H 1s 0.008807 -0.002541 0.015909 -0.026225 0.009061 0.043318 15H 2s -0.346573 0.350766 -0.367988 0.632800 -0.438237 -0.929016 15H 3s -0.053338 -0.184471 0.065181 -0.187637 0.168730 0.146410 15H 1pz 0.020203 -0.012936 0.016621 -0.036157 0.015112 0.054973 15H 1px -0.005176 0.002220 -0.006418 0.010768 -0.009080 -0.013150 15H 1py 0.005086 -0.021791 0.025986 -0.043226 0.032108 0.039910 16H 1s -0.001203 0.003122 0.012200 -0.007223 0.002463 0.001754 16H 2s -0.033517 0.041620 0.003267 -0.057698 0.325163 -0.045811 16H 3s -0.071492 -0.200990 0.025779 0.114665 -0.197083 -0.041589 16H 1pz 0.000303 -0.008447 -0.008580 0.017052 -0.008820 -0.003998 16H 1px 0.035191 0.058512 0.041136 0.022983 0.003916 -0.007997 16H 1py 0.006259 0.028619 -0.000653 -0.020239 0.047131 -0.012109 17H 1s 0.003993 -0.006020 -0.007356 0.003072 0.004348 -0.000626 17H 2s 0.117604 0.265718 0.066410 -0.141774 0.311423 -0.051816 17H 3s -0.066090 -0.163106 -0.085808 0.031631 -0.241347 0.064203 17H 1pz 0.008407 -0.001515 0.000415 -0.038606 0.014827 -0.010728 17H 1px -0.016709 -0.037689 -0.013128 0.033120 0.010456 -0.002023 17H 1py -0.009951 -0.002798 0.007930 -0.016074 0.041763 -0.016597 18H 1s 0.003441 0.006814 -0.007280 -0.003923 -0.004539 -0.000366 18H 2s 0.113523 -0.265247 0.071046 0.150231 -0.306743 -0.038877 18H 3s -0.070391 0.168460 -0.095197 -0.041740 0.237933 0.066952 18H 1pz -0.008476 -0.001128 0.002475 -0.038654 0.014329 0.007624 18H 1px 0.015958 -0.039729 0.011692 0.034804 0.010924 0.002289 18H 1py 0.009091 -0.003783 -0.006992 -0.018080 0.042628 0.013794 19H 1s -0.001958 -0.002325 0.011923 0.007516 -0.002421 0.002129 19H 2s -0.029527 -0.038641 0.009975 0.061872 -0.325852 -0.037812 19H 3s -0.078042 0.206556 0.019333 -0.115236 0.193109 -0.040054 19H 1pz -0.000978 -0.008228 0.007563 0.017258 -0.009294 0.005762 19H 1px -0.032965 0.058130 -0.043767 0.020602 0.001968 0.007918 19H 1py -0.006617 0.029414 0.000299 -0.019473 0.045924 0.008704 20H 1s 0.008082 0.002603 0.013922 0.027172 -0.007146 0.043491 20H 2s -0.341850 -0.348294 -0.328257 -0.662943 0.398836 -0.921529 20H 3s -0.052611 0.181946 0.054389 0.189648 -0.163653 0.137277 20H 1pz -0.019681 -0.012591 -0.014255 -0.037583 0.013069 -0.055103 20H 1px 0.005216 0.002630 0.006089 0.011783 -0.008546 0.014129 20H 1py -0.004659 -0.021954 -0.023496 -0.044842 0.030151 -0.038830 21H 1s -0.016962 -0.013075 0.013003 0.019732 -0.016866 -0.014112 21H 2s 0.219187 0.226183 -0.552998 -0.492546 0.353443 0.469694 21H 3s 0.159339 -0.071163 0.139601 0.283361 0.222147 0.216780 21H 1pz -0.002661 -0.010046 0.029723 0.028632 -0.012823 -0.005171 21H 1px -0.003257 -0.005318 0.035835 0.046626 -0.006651 -0.021195 21H 1py -0.010643 -0.009329 0.003565 -0.005235 -0.017226 0.001037 22H 1s -0.013871 0.000508 -0.004701 0.010543 0.015494 0.000910 22H 2s 0.996004 0.256708 0.028796 0.217021 -0.242370 0.157104 22H 3s -0.184388 -0.097642 -0.061210 0.000574 0.016771 0.239986 22H 1pz -0.053526 -0.021695 0.002745 -0.009794 0.013657 0.003693 22H 1px 0.060012 0.013940 -0.002482 0.003689 -0.004637 0.007179 22H 1py 0.044159 0.017353 -0.001996 0.015353 0.010548 0.013672 23H 1s -0.018961 -0.014351 -0.022032 -0.002795 -0.001166 -0.006805 23H 2s 0.360412 0.320689 0.355760 0.096262 -0.233899 0.265518 23H 3s 0.059104 -0.064274 0.017677 0.078237 0.280045 -0.123036 23H 1pz 0.017421 0.011611 0.013452 0.009845 0.010845 0.010963 23H 1px -0.004614 -0.001717 -0.001786 0.006993 0.012389 -0.005692 23H 1py -0.006202 -0.026625 -0.020976 0.005318 0.034925 -0.022554 24H 1s 0.019436 -0.027111 -0.002855 0.014127 0.014561 -0.031548 24H 2s -0.587484 0.855965 -0.125670 -0.476938 -0.191765 0.958668 24H 3s -0.005160 -0.197925 -0.067663 0.217429 -0.155081 -0.223383 24H 1pz 0.018363 -0.039161 -0.002945 0.030339 0.007284 -0.045923 24H 1px 0.031391 -0.040861 0.007821 0.027281 0.010863 -0.046606 24H 1py -0.013387 0.033911 -0.001785 -0.010151 -0.006874 0.039517 25H 1s 0.007293 0.003511 -0.008540 0.000779 0.016017 0.022238 25H 2s -0.151607 -0.248495 0.935922 0.302710 -0.086227 -1.001155 25H 3s -0.144737 -0.118634 -0.216633 -0.094354 -0.016226 -0.011490 25H 1pz 0.000025 0.000093 -0.057873 -0.025976 -0.005790 0.053542 25H 1px -0.007943 -0.008964 0.068034 0.016817 -0.003711 -0.059705 25H 1py 0.011800 0.003815 -0.013953 -0.010670 0.008059 0.019327 26O 1s 0.002207 0.006416 -0.012806 0.007121 -0.000389 0.000912 26O 2s 0.004780 0.014263 -0.027023 0.015995 -0.000890 0.002509 26O 3s 0.003311 0.004943 -0.040450 0.001095 -0.009636 -0.010596 26O 4s -0.123678 -0.329033 0.701395 -0.349677 -0.035095 -0.034709 26O 5s 0.483879 1.434637 -1.373490 1.007290 1.374278 -0.020615 26O 1pz -0.000215 0.022625 -0.039261 0.022417 0.030090 0.028073 26O 1px -0.020333 -0.046700 -0.021548 0.023948 0.020452 0.046300 26O 1py -0.053289 0.006479 -0.055389 0.023263 0.059288 0.035675 26O 2pz 0.026095 0.112717 -0.043384 0.033232 0.041931 -0.003026 26O 2px -0.050739 -0.116209 -0.076381 -0.022826 -0.070131 0.036332 26O 2py -0.136241 0.018850 -0.116935 0.050183 0.060413 0.026358 26O 3pz -0.025416 -0.283747 0.274030 0.000634 -0.319307 0.027226 26O 3px 0.122889 -0.194200 0.591795 -0.051330 -1.161476 -0.198892 26O 3py 0.532715 -0.098328 0.472566 -0.164233 -0.536078 -0.043729 26O 1dz2 0.000525 0.003263 -0.003590 -0.000884 0.002946 -0.001483 26O 1dxz 0.001370 0.001371 -0.000826 -0.002159 -0.004222 -0.001717 26O 1dyz -0.001682 0.000869 -0.002674 -0.000663 -0.003362 -0.003134 26O 1dx2y2 0.001771 -0.002381 0.006321 -0.002440 -0.005467 -0.000588 26O 1dxy -0.001739 -0.001104 0.000496 -0.000897 -0.002548 -0.000851 26O 2dz2 -0.004169 -0.006056 0.027384 -0.008611 -0.022674 -0.043250 26O 2dxz -0.001787 0.012330 -0.012894 -0.008169 0.024322 0.021602 26O 2dyz 0.012420 0.035422 0.055124 0.014828 -0.027742 -0.050156 26O 2dx2y2 -0.005210 0.028568 0.019447 -0.000591 0.036237 -0.016254 26O 2dxy -0.003744 0.037805 0.019296 0.023777 0.047829 -0.001202 26O 1f0 -0.000722 -0.000065 -0.000181 0.000583 0.001246 0.000276 26O 1f+1 0.000585 0.002558 0.001654 0.001793 0.003043 0.002849 26O 1f-1 0.001135 0.002748 0.001980 0.001470 0.001638 0.000587 26O 1f+2 -0.000223 -0.001057 0.000343 -0.001834 -0.001372 -0.001607 26O 1f-2 0.000286 0.001635 0.000457 0.000751 0.000873 0.000274 26O 1f+3 -0.001488 0.001562 0.001113 0.001723 0.003497 0.000049 26O 1f-3 0.000192 0.002224 0.002163 0.001269 0.003040 0.002646 27O 1s -0.007129 0.012614 0.003981 -0.001116 0.005279 0.003675 27O 2s -0.015481 0.028122 0.008438 -0.002396 0.011398 0.006961 27O 3s -0.015149 0.005588 0.012996 -0.008302 0.009062 0.029625 27O 4s 0.336419 -0.644059 -0.231157 0.046508 -0.350249 -0.217672 27O 5s -0.294619 2.299871 0.760699 0.279943 2.147106 0.055862 27O 1pz -0.047943 0.013680 0.003521 0.013195 0.035147 -0.032835 27O 1px -0.056926 -0.000838 -0.043640 0.075538 -0.016758 -0.002033 27O 1py 0.033172 -0.012650 0.007039 -0.025880 -0.013759 -0.005458 27O 2pz -0.077028 0.051166 0.031484 0.015375 0.113843 -0.108031 27O 2px -0.144717 -0.075579 -0.050842 0.058680 -0.088934 0.067137 27O 2py 0.028509 -0.000802 -0.026885 -0.014084 -0.064862 -0.034355 27O 3pz 0.063554 0.111765 -0.274185 -0.086868 -0.087149 0.272423 27O 3px 0.532717 -0.653770 -0.177504 -0.636736 -0.865934 0.060787 27O 3py -0.374983 -0.095215 0.045213 0.330225 0.533499 0.118813 27O 1dz2 -0.000162 0.005192 0.002766 0.001915 0.003454 -0.002101 27O 1dxz -0.005880 0.003265 0.000291 -0.000433 0.003390 -0.001192 27O 1dyz 0.002112 0.000845 0.000435 0.000410 -0.000774 -0.004178 27O 1dx2y2 0.002726 -0.003468 -0.002950 0.000184 -0.004937 -0.002516 27O 1dxy -0.001446 0.003317 -0.002326 0.005257 0.005132 -0.004072 27O 2dz2 -0.021402 -0.022419 0.008051 -0.013087 -0.034478 -0.000632 27O 2dxz -0.012909 0.023963 -0.002908 -0.006362 0.005914 -0.011631 27O 2dyz -0.071849 -0.000564 -0.009731 0.021239 -0.004501 -0.012219 27O 2dx2y2 -0.011766 0.022020 -0.013088 0.014389 0.016089 -0.019191 27O 2dxy -0.012540 -0.021768 -0.006924 0.016638 -0.020247 0.017927 27O 1f0 -0.000705 -0.002811 0.000177 0.000109 -0.001852 0.001631 27O 1f+1 0.000663 0.000907 -0.002038 0.000568 0.000669 -0.001966 27O 1f-1 0.000275 -0.000458 0.000657 0.000089 -0.000145 0.000095 27O 1f+2 -0.001193 -0.000550 -0.000998 0.000603 -0.000120 -0.000610 27O 1f-2 0.000730 -0.002738 0.000325 -0.000172 -0.002245 0.002780 27O 1f+3 0.002771 0.002745 -0.000644 0.000514 0.001086 -0.003660 27O 1f-3 0.000887 -0.001410 0.002246 -0.002142 -0.000870 0.000483 28O 1s 0.002700 0.013317 -0.002411 -0.000836 -0.008806 -0.003747 28O 2s 0.006059 0.028444 -0.005922 -0.000450 -0.019180 -0.006937 28O 3s 0.000231 0.036526 0.000984 -0.027121 -0.014298 -0.031646 28O 4s -0.138366 -0.716535 0.089669 0.149827 0.513927 0.202546 28O 5s 0.639317 1.074178 0.241132 -0.480361 -2.222883 0.052133 28O 1pz 0.001948 -0.046007 0.056171 -0.047958 -0.010329 -0.024471 28O 1px 0.013226 0.031854 -0.031408 0.009828 -0.021696 0.035835 28O 1py 0.009420 -0.017107 0.027265 -0.019292 -0.016631 -0.009382 28O 2pz 0.012348 -0.070305 0.083701 -0.083253 0.004655 -0.100437 28O 2px 0.029716 0.021438 -0.021635 -0.011703 -0.097863 0.155630 28O 2py 0.046285 -0.042361 0.057459 -0.039169 -0.027328 -0.013076 28O 3pz -0.470562 0.896125 -1.061019 0.378932 0.482892 0.650752 28O 3px 0.425976 -0.293956 0.405683 0.091668 -0.545901 -0.250142 28O 3py -0.356315 0.479893 -0.413308 0.114630 -0.124962 0.269807 28O 1dz2 -0.001797 0.002728 -0.004150 0.001281 0.004737 -0.001739 28O 1dxz 0.002394 -0.001784 0.004796 -0.001998 -0.005977 -0.003057 28O 1dyz -0.000477 -0.001297 -0.000100 0.000678 0.000645 -0.005968 28O 1dx2y2 -0.005518 -0.000723 -0.000049 -0.000665 0.004361 0.000795 28O 1dxy -0.000395 -0.001567 0.002141 -0.001366 0.001368 -0.002595 28O 2dz2 -0.016101 0.018029 -0.034117 0.012566 0.002352 0.013054 28O 2dxz -0.024416 0.012780 -0.036052 -0.008113 0.031715 -0.019314 28O 2dyz -0.007612 0.010641 -0.042649 0.016524 -0.021293 0.042178 28O 2dx2y2 -0.019647 -0.027007 0.003875 0.012770 0.015674 0.002808 28O 2dxy -0.012222 0.001117 -0.018448 -0.007862 0.031116 0.004306 28O 1f0 0.000878 -0.000401 0.001002 0.001230 -0.000348 0.003285 28O 1f+1 -0.001065 -0.000040 0.002700 -0.000267 -0.001121 -0.001955 28O 1f-1 0.001139 0.003395 0.000684 -0.000779 -0.003508 0.001868 28O 1f+2 -0.000430 -0.001116 -0.002648 -0.000790 0.001614 -0.003726 28O 1f-2 0.000159 0.000996 0.000878 -0.001078 -0.000775 -0.001021 28O 1f+3 0.001117 0.000720 0.000161 -0.002095 -0.002441 -0.002867 28O 1f-3 -0.000080 0.000929 0.000868 -0.001406 -0.000621 -0.000102 29O 1s 0.000523 -0.002213 -0.000486 0.009665 -0.004031 0.000975 29O 2s 0.002334 -0.002533 -0.000154 0.022410 -0.004051 0.001568 29O 3s -0.019418 -0.042374 -0.015925 -0.009131 -0.091044 0.010229 29O 4s 0.070402 0.337936 0.095551 -0.372219 0.684457 -0.100382 29O 5s -0.167333 -0.894604 -0.200354 0.812460 -1.762896 0.253361 29O 1pz -0.010904 -0.010133 -0.008634 -0.013516 -0.005621 0.008748 29O 1px -0.000693 0.008053 -0.001254 0.058603 0.029177 -0.002874 29O 1py 0.004342 0.006963 -0.000065 -0.011438 0.026395 0.000220 29O 2pz 0.023804 0.033094 -0.021491 -0.029136 0.040623 -0.003484 29O 2px -0.019730 -0.063147 -0.035848 0.104017 -0.094995 0.022022 29O 2py 0.003956 0.042190 0.014893 0.010510 0.036156 -0.010660 29O 3pz -0.272518 -0.382623 -0.058828 0.200416 -0.151544 0.040193 29O 3px 0.008464 0.253331 0.074903 -0.355606 0.542072 -0.070931 29O 3py 0.091930 0.032134 -0.054527 -0.179128 0.198079 0.029868 29O 1dz2 0.000416 0.000512 0.001287 -0.002629 0.001933 -0.001167 29O 1dxz -0.000848 -0.001223 -0.001528 -0.002261 0.000253 0.000706 29O 1dyz -0.002263 -0.002196 0.000049 0.001173 -0.000507 0.000155 29O 1dx2y2 -0.001303 0.001236 -0.000360 0.001220 0.003371 -0.000236 29O 1dxy 0.000167 -0.001250 -0.000837 -0.000719 0.000029 0.000925 29O 2dz2 0.014646 0.027691 0.004640 -0.047465 0.002368 0.002616 29O 2dxz -0.050856 -0.094793 -0.034688 -0.001706 -0.026641 0.001891 29O 2dyz -0.008577 -0.014653 0.015133 0.026751 -0.022885 -0.005109 29O 2dx2y2 0.015571 0.019492 0.018215 0.029805 0.090313 -0.025385 29O 2dxy -0.012960 -0.015816 -0.011219 -0.052862 0.030960 -0.011579 29O 1f0 0.000154 0.001084 -0.000104 -0.000015 0.001240 -0.000872 29O 1f+1 -0.000390 -0.002154 -0.000392 0.000991 -0.000483 -0.000075 29O 1f-1 0.000177 0.000088 -0.001226 -0.000163 0.001078 -0.000716 29O 1f+2 0.001000 0.001149 0.000262 -0.000468 -0.000513 0.000781 29O 1f-2 -0.000867 0.001297 0.001112 -0.000953 0.000844 0.000203 29O 1f+3 0.000624 -0.000930 -0.000059 0.001559 -0.000104 -0.000092 29O 1f-3 -0.000218 -0.000032 0.000122 0.000659 0.000697 -0.001291 30O 1s -0.002505 -0.001014 0.005247 -0.011381 0.006375 0.004066 30O 2s -0.006127 -0.000991 0.011121 -0.024266 0.013569 0.007828 30O 3s 0.002599 -0.018117 0.016091 -0.032313 0.024029 0.030245 30O 4s 0.123979 0.169488 -0.269343 0.625496 -0.335343 -0.246893 30O 5s -0.097149 -1.398951 0.496915 -1.217517 -0.236254 0.243104 30O 1pz 0.041818 -0.019452 -0.006540 -0.019126 -0.032439 0.002406 30O 1px -0.036896 -0.003780 0.004646 -0.023823 -0.008296 -0.008446 30O 1py -0.063545 0.034773 -0.006328 0.013149 0.061092 0.006235 30O 2pz 0.076484 0.001542 -0.006298 -0.017597 -0.039462 0.046311 30O 2px -0.059196 -0.064076 -0.011489 -0.058940 -0.093875 -0.076583 30O 2py -0.123441 0.030009 -0.027245 0.034990 0.073660 -0.014459 30O 3pz -0.539673 0.517753 0.103429 -0.365446 0.584645 -0.120566 30O 3px 0.357690 -0.554079 0.117040 0.184219 -0.315501 0.055796 30O 3py 1.275241 -0.705592 0.261919 0.308667 -0.877462 0.056048 30O 1dz2 0.001060 0.000394 0.001602 -0.000667 -0.002764 0.000064 30O 1dxz 0.001440 -0.003522 0.000918 0.000094 -0.001976 0.001789 30O 1dyz 0.000095 -0.004944 -0.000234 -0.001179 -0.000375 -0.005637 30O 1dx2y2 0.002554 0.000274 -0.002135 0.000520 -0.002164 -0.000925 30O 1dxy -0.006782 0.003687 -0.001997 0.000209 0.004446 -0.002555 30O 2dz2 0.042910 -0.014738 0.027926 -0.006357 -0.030339 -0.001071 30O 2dxz -0.004924 -0.001424 0.008103 -0.003587 0.028623 0.026864 30O 2dyz 0.027626 -0.016581 0.012533 0.012507 0.037661 -0.005293 30O 2dx2y2 0.039824 -0.009685 -0.000623 0.015573 -0.036270 0.018171 30O 2dxy 0.037973 -0.034359 0.002888 0.000011 -0.035386 -0.015073 30O 1f0 0.000158 0.001111 -0.001522 0.003405 -0.001600 -0.001055 30O 1f+1 0.000860 -0.001190 0.001055 -0.001245 0.000170 -0.000857 30O 1f-1 0.000131 0.000118 -0.000457 0.000723 0.000728 0.000615 30O 1f+2 0.001482 0.000648 0.001184 0.001799 0.000780 0.003843 30O 1f-2 -0.002541 0.001402 0.000756 0.001961 0.002197 0.001550 30O 1f+3 0.001612 -0.001027 0.000523 -0.003755 0.000838 -0.000507 30O 1f-3 -0.001071 -0.000237 0.001410 0.000696 0.002838 0.003080 31O 1s -0.002911 0.001131 0.004485 0.011683 -0.006417 0.004046 31O 2s -0.007044 0.001293 0.009480 0.024896 -0.013707 0.007867 31O 3s 0.002543 0.017537 0.014571 0.033282 -0.023196 0.029089 31O 4s 0.143622 -0.173046 -0.227295 -0.639858 0.336446 -0.234873 31O 5s -0.166369 1.405112 0.355298 1.246972 0.227098 0.124636 31O 1pz -0.040645 -0.018694 0.008102 -0.019488 -0.033177 -0.000872 31O 1px 0.037388 -0.004573 -0.002516 -0.023338 -0.007456 0.008369 31O 1py 0.062461 0.033778 0.003309 0.014912 0.063326 -0.007790 31O 2pz -0.075424 0.002731 0.007212 -0.018902 -0.042554 -0.045053 31O 2px 0.062748 -0.066340 0.020521 -0.055953 -0.091175 0.080897 31O 2py 0.121345 0.028197 0.022467 0.039393 0.080558 0.013146 31O 3pz 0.535796 0.518400 -0.107188 -0.356669 0.601675 0.061618 31O 3px -0.341479 -0.550457 -0.103326 0.163088 -0.317395 -0.016971 31O 3py -1.256892 -0.689052 -0.237576 0.256897 -0.927617 -0.000976 31O 1dz2 0.000826 -0.000360 0.001400 0.000816 0.002797 0.000157 31O 1dxz 0.001365 0.003601 0.000730 -0.000003 0.002096 0.001514 31O 1dyz 0.000034 0.004995 -0.000373 0.001178 0.000271 -0.006044 31O 1dx2y2 0.002546 -0.000361 -0.002135 -0.000597 0.002191 -0.000997 31O 1dxy -0.006571 -0.003556 -0.001745 -0.000528 -0.004678 -0.002299 31O 2dz2 0.042402 0.014825 0.026034 0.009247 0.032327 -0.001171 31O 2dxz -0.003505 0.001753 0.008619 0.003327 -0.027383 0.027749 31O 2dyz 0.029311 0.016058 0.015078 -0.010545 -0.036935 -0.005930 31O 2dx2y2 0.039845 0.008819 -0.001133 -0.014514 0.037370 0.017705 31O 2dxy 0.037717 0.034332 0.001072 0.001400 0.035463 -0.016444 31O 1f0 -0.000221 0.001109 0.001342 0.003520 -0.001493 0.001090 31O 1f+1 -0.000895 -0.001225 -0.000953 -0.001314 0.000111 0.000860 31O 1f-1 -0.000166 0.000123 0.000370 0.000745 0.000723 -0.000603 31O 1f+2 -0.001566 0.000717 -0.001363 0.001676 0.000649 -0.003885 31O 1f-2 0.002430 0.001374 -0.001015 0.001973 0.002179 -0.001583 31O 1f+3 -0.001507 -0.000962 -0.000344 -0.003864 0.000813 0.000588 31O 1f-3 0.000942 -0.000216 -0.001563 0.000607 0.002753 -0.003141 32O 1s 0.000685 0.002164 -0.000152 -0.009741 0.004055 0.001048 32O 2s 0.002787 0.002444 0.000818 -0.022473 0.004177 0.001912 32O 3s -0.020880 0.041799 -0.019727 0.007400 0.089851 0.006927 32O 4s 0.071709 -0.333533 0.102149 0.384616 -0.679544 -0.085242 32O 5s -0.176677 0.887903 -0.225500 -0.844024 1.750887 0.212709 32O 1pz 0.011031 -0.010848 0.009677 -0.012088 -0.005624 -0.008299 32O 1px -0.001914 0.008196 -0.002606 0.058380 0.028711 0.000044 32O 1py -0.005086 0.007200 -0.000039 -0.011834 0.026264 -0.001836 32O 2pz -0.023872 0.032443 0.021718 -0.028205 0.038887 0.002729 32O 2px 0.018720 -0.064156 0.034572 0.108265 -0.093990 -0.022490 32O 2py -0.005981 0.043943 -0.017166 0.008604 0.035478 0.011052 32O 3pz 0.268622 -0.388780 0.058305 0.210394 -0.143601 -0.033793 32O 3px -0.017578 0.260288 -0.080236 -0.368030 0.536829 0.072758 32O 3py -0.082991 0.021836 0.060561 -0.177187 0.198250 -0.042802 32O 1dz2 0.000432 -0.000581 0.001202 0.002817 -0.001927 -0.001073 32O 1dxz -0.000829 0.001226 -0.001671 0.002142 -0.000329 0.000738 32O 1dyz -0.002213 0.002232 0.000075 -0.001076 0.000256 0.000053 32O 1dx2y2 -0.001172 -0.001296 -0.000160 -0.001237 -0.003401 -0.000092 32O 1dxy 0.000230 0.001198 -0.000924 0.000739 -0.000096 0.000947 32O 2dz2 0.012754 -0.027569 0.000601 0.047725 -0.002430 0.005488 32O 2dxz -0.049558 0.096199 -0.037598 -0.002853 0.024254 0.000993 32O 2dyz -0.008639 0.014708 0.016889 -0.024836 0.020926 -0.008756 32O 2dx2y2 0.018602 -0.020007 0.021963 -0.027451 -0.089052 -0.021547 32O 2dxy -0.012180 0.016503 -0.015277 0.052931 -0.032504 -0.007234 32O 1f0 -0.000189 0.001119 0.000014 -0.000047 0.001134 0.000818 32O 1f+1 0.000340 -0.002269 0.000406 0.001059 -0.000508 0.000090 32O 1f-1 -0.000288 0.000281 0.001198 -0.000191 0.001145 0.000704 32O 1f+2 -0.000930 0.001117 -0.000283 -0.000419 -0.000570 -0.000798 32O 1f-2 0.000833 0.001331 -0.001092 -0.001075 0.000781 -0.000286 32O 1f+3 -0.000626 -0.000947 -0.000021 0.001537 -0.000108 0.000087 32O 1f-3 0.000198 -0.000084 -0.000143 0.000676 0.000742 0.001226 33O 1s 0.002146 -0.013268 -0.002464 0.000684 0.008673 -0.003697 33O 2s 0.004872 -0.028381 -0.005986 0.000103 0.018899 -0.006799 33O 3s -0.001033 -0.035784 0.000133 0.026631 0.013726 -0.032367 33O 4s -0.107702 0.710073 0.098807 -0.141236 -0.507612 0.200760 33O 5s 0.530580 -1.042271 0.157598 0.494313 2.229453 0.083236 33O 1pz -0.001155 -0.045473 -0.052727 -0.052199 -0.010683 0.026122 33O 1px -0.011768 0.032029 0.030335 0.011729 -0.022138 -0.035172 33O 1py -0.008339 -0.016162 -0.025207 -0.021704 -0.016680 0.010494 33O 2pz -0.010573 -0.067671 -0.078397 -0.090989 0.004542 0.101396 33O 2px -0.023799 0.020518 0.024913 -0.011065 -0.100027 -0.156649 33O 2py -0.042486 -0.039696 -0.053627 -0.045277 -0.028229 0.016133 33O 3pz 0.444735 0.883525 0.990930 0.468696 0.501822 -0.609028 33O 3px -0.414506 -0.291574 -0.378118 0.057282 -0.556618 0.235526 33O 3py 0.351466 0.470174 0.404661 0.163339 -0.117206 -0.287171 33O 1dz2 -0.001752 -0.002764 -0.003865 -0.001566 -0.004930 -0.001795 33O 1dxz 0.002135 0.001762 0.004367 0.002362 0.006063 -0.002917 33O 1dyz -0.000520 0.001320 -0.000089 -0.000751 -0.000769 -0.005841 33O 1dx2y2 -0.005336 0.000838 0.000030 0.000520 -0.004479 0.000721 33O 1dxy -0.000349 0.001725 0.002141 0.001548 -0.001393 -0.002740 33O 2dz2 -0.016706 -0.018543 -0.032894 -0.014491 -0.003820 0.011615 33O 2dxz -0.023475 -0.012833 -0.034827 0.005400 -0.033442 -0.019828 33O 2dyz -0.008257 -0.009749 -0.042292 -0.020128 0.021113 0.043152 33O 2dx2y2 -0.019347 0.028135 0.004107 -0.013163 -0.016525 0.003396 33O 2dxy -0.011929 0.000069 -0.017843 0.006123 -0.031889 0.004964 33O 1f0 -0.000892 -0.000407 -0.001017 0.001131 -0.000424 -0.003384 33O 1f+1 0.001123 -0.000064 -0.002615 -0.000452 -0.001098 0.002060 33O 1f-1 -0.000947 0.003468 -0.000612 -0.000896 -0.003592 -0.001714 33O 1f+2 0.000333 -0.001072 0.002635 -0.000594 0.001716 0.003847 33O 1f-2 -0.000117 0.000957 -0.000840 -0.001151 -0.000794 0.001079 33O 1f+3 -0.001062 0.000760 -0.000035 -0.002149 -0.002479 0.002994 33O 1f-3 0.000123 0.000957 -0.000827 -0.001515 -0.000644 0.000185 34O 1s -0.007327 -0.012234 0.004094 0.001045 -0.005397 0.004032 34O 2s -0.015908 -0.027311 0.008677 0.002246 -0.011648 0.007736 34O 3s -0.015801 -0.004676 0.012827 0.008200 -0.009326 0.030422 34O 4s 0.347076 0.622673 -0.241023 -0.043872 0.358138 -0.237108 34O 5s -0.292731 -2.246599 0.865464 -0.259015 -2.159545 0.082410 34O 1pz 0.046124 0.012755 -0.005818 0.014560 0.036656 0.031829 34O 1px 0.054546 -0.000765 0.039437 0.080546 -0.015079 0.002549 34O 1py -0.032200 -0.011723 -0.004794 -0.028168 -0.013514 0.007458 34O 2pz 0.073519 0.049774 -0.038104 0.015862 0.115951 0.108210 34O 2px 0.143521 -0.073793 0.050305 0.066408 -0.087213 -0.065079 34O 2py -0.026613 0.000589 0.029431 -0.014780 -0.060727 0.037746 34O 3pz -0.057955 0.106224 0.288466 -0.072418 -0.079562 -0.285888 34O 3px -0.501623 -0.648811 0.261316 -0.647008 -0.869638 -0.097892 34O 3py 0.350830 -0.103127 -0.087388 0.343012 0.520536 -0.104993 34O 1dz2 -0.000135 -0.005121 0.003082 -0.001787 -0.003408 -0.002145 34O 1dxz -0.005803 -0.003123 0.000470 0.000287 -0.003571 -0.001267 34O 1dyz 0.002093 -0.000804 0.000415 -0.000312 0.000752 -0.004120 34O 1dx2y2 0.002653 0.003378 -0.003150 -0.000251 0.004880 -0.002500 34O 1dxy -0.001250 -0.003243 -0.001754 -0.005433 -0.005286 -0.004095 34O 2dz2 -0.022241 0.023124 0.006262 0.012868 0.034772 -0.001487 34O 2dxz -0.013269 -0.023460 -0.002657 0.005624 -0.006276 -0.011437 34O 2dyz -0.070843 0.002079 -0.008237 -0.024495 0.002348 -0.012062 34O 2dx2y2 -0.010684 -0.021516 -0.011243 -0.015678 -0.016694 -0.019703 34O 2dxy -0.012380 0.021794 -0.006186 -0.017498 0.019817 0.016441 34O 1f0 0.000722 -0.002832 -0.000083 0.000132 -0.001883 -0.001623 34O 1f+1 -0.000693 0.000913 0.001974 0.000695 0.000762 0.001992 34O 1f-1 -0.000269 -0.000454 -0.000651 0.000043 -0.000151 -0.000101 34O 1f+2 0.001180 -0.000582 0.000927 0.000705 -0.000006 0.000756 34O 1f-2 -0.000702 -0.002681 -0.000221 -0.000229 -0.002287 -0.002688 34O 1f+3 -0.002800 0.002710 0.000625 0.000516 0.001066 0.003532 34O 1f-3 -0.000799 -0.001427 -0.002083 -0.002305 -0.000941 -0.000475 35O 1s 0.002068 -0.006624 -0.012443 -0.008075 0.000116 0.001171 35O 2s 0.004489 -0.014696 -0.026184 -0.018016 0.000352 0.003090 35O 3s 0.002610 -0.005689 -0.041030 -0.004001 0.007998 -0.010921 35O 4s -0.116876 0.342394 0.685260 0.401264 0.053088 -0.051899 35O 5s 0.498517 -1.480838 -1.297117 -1.094750 -1.406660 0.089616 35O 1pz -0.001695 0.023418 0.036687 0.024180 0.030171 -0.030004 35O 1px 0.017405 -0.048711 0.020477 0.026002 0.021112 -0.048837 35O 1py 0.051301 0.006416 0.051678 0.027516 0.061583 -0.035628 35O 2pz -0.028883 0.115746 0.038242 0.031888 0.041013 -0.001695 35O 2px 0.049326 -0.121447 0.080294 -0.015564 -0.067315 -0.036051 35O 2py 0.132853 0.019981 0.110759 0.058516 0.066220 -0.021738 35O 3pz 0.048104 -0.291627 -0.259685 0.005209 -0.320465 -0.010928 35O 3px -0.087967 -0.184310 -0.562528 -0.087078 -1.176167 0.268028 35O 3py -0.504404 -0.105652 -0.453067 -0.195263 -0.557356 0.061451 35O 1dz2 0.000539 -0.003279 -0.003550 0.000666 -0.003062 -0.001297 35O 1dxz 0.001157 -0.001425 -0.001046 0.002085 0.004233 -0.001737 35O 1dyz -0.001697 -0.000781 -0.002708 0.000410 0.003205 -0.003323 35O 1dx2y2 0.001584 0.002481 0.005931 0.002805 0.005672 -0.000550 35O 1dxy -0.001827 0.001188 0.000508 0.000890 0.002473 -0.001344 35O 2dz2 -0.005630 0.005672 0.026415 0.010236 0.021933 -0.045916 35O 2dxz -0.002746 -0.012621 -0.012466 0.007301 -0.024381 0.022793 35O 2dyz 0.012139 -0.035087 0.055618 -0.010604 0.028804 -0.049548 35O 2dx2y2 -0.005093 -0.027917 0.020664 0.001269 -0.035944 -0.014189 35O 2dxy -0.003030 -0.037627 0.022908 -0.022406 -0.047319 -0.000035 35O 1f0 0.000740 -0.000109 0.000098 0.000636 0.001266 -0.000203 35O 1f+1 -0.000631 0.002548 -0.001875 0.001641 0.002942 -0.003094 35O 1f-1 -0.001092 0.002753 -0.002146 0.001302 0.001514 -0.000760 35O 1f+2 0.000221 -0.001099 -0.000188 -0.001826 -0.001343 0.001628 35O 1f-2 -0.000258 0.001730 -0.000529 0.000664 0.000844 -0.000332 35O 1f+3 0.001425 0.001555 -0.001333 0.001649 0.003526 -0.000047 35O 1f-3 -0.000229 0.002166 -0.002296 0.001157 0.002958 -0.002946 270 271 272 273 274 275 1.00582 1.01322 1.02396 1.02832 1.03499 1.03997 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s -0.000862 0.001070 -0.001822 0.001300 0.003493 0.001123 0Rh 2s 0.003870 -0.003807 0.005590 -0.005870 -0.008286 -0.004078 0Rh 3s -0.002653 0.003907 -0.007201 0.003980 0.015298 0.004055 0Rh 4s -0.018056 0.017415 -0.025077 0.027424 0.035414 0.018672 0Rh 5s 0.020025 -0.011576 0.006550 -0.030608 0.027274 -0.012558 0Rh 6s 0.023137 -0.054832 0.125251 -0.034542 -0.349620 -0.061022 0Rh 7s 0.029508 -0.030928 -0.639564 0.109491 1.759109 0.227588 0Rh 8s -0.019163 -0.097607 -0.030992 -0.696723 0.002753 -0.316318 0Rh 1pz 0.006151 0.006618 -0.008449 0.001706 -0.002927 -0.003318 0Rh 1px -0.006509 0.005343 -0.002943 0.008857 -0.001730 0.001631 0Rh 1py 0.002503 -0.002201 0.008249 0.012701 0.003996 0.007431 0Rh 2pz -0.020978 -0.023010 0.028100 -0.005759 0.009742 0.011346 0Rh 2px 0.022222 -0.018253 0.009887 -0.030255 0.005749 -0.005400 0Rh 2py -0.008996 0.007462 -0.027820 -0.043103 -0.013140 -0.025473 0Rh 3pz 0.010166 0.020155 0.000989 0.001560 0.000831 -0.005990 0Rh 3px -0.011281 0.008944 -0.001286 0.015482 -0.000533 -0.000957 0Rh 3py 0.013776 -0.002636 0.007215 0.016070 -0.003892 0.014517 0Rh 4pz 0.072343 0.042255 -0.154002 0.024559 -0.060210 -0.037294 0Rh 4px -0.074300 0.066056 -0.050819 0.100687 -0.021146 0.034967 0Rh 4py -0.007102 -0.029592 0.118177 0.169132 0.087530 0.080716 0Rh 5pz -0.094446 -0.015914 0.224012 -0.032652 0.127031 0.049262 0Rh 5px 0.095127 -0.115125 0.094269 -0.122018 -0.028923 -0.073122 0Rh 5py 0.041919 0.038406 -0.138701 -0.239457 -0.144410 -0.107593 0Rh 6pz 0.153688 -1.295867 -0.875248 -0.015367 -1.145613 -0.136769 0Rh 6px -0.232072 0.814512 -0.783494 0.168156 1.081718 0.826438 0Rh 6py -1.232314 -0.015642 0.259502 1.100230 0.656894 -0.032627 0Rh 1dz2 -0.000737 0.009256 0.003967 -0.000581 -0.029627 0.014931 0Rh 1dxz -0.025281 -0.029111 0.006366 0.007904 -0.010157 0.006280 0Rh 1dyz 0.001857 0.002736 -0.004074 -0.006129 0.002976 0.011793 0Rh 1dx2y2 0.021109 -0.039937 -0.021018 -0.024294 0.053878 0.000409 0Rh 1dxy -0.028350 0.001056 0.021404 -0.019936 0.013773 -0.017874 0Rh 2dz2 -0.000200 -0.002238 -0.000760 -0.000660 0.005406 -0.003367 0Rh 2dxz 0.004963 0.006213 -0.000946 -0.003141 -0.000393 -0.000785 0Rh 2dyz -0.002243 -0.000872 0.000689 -0.001546 -0.001467 -0.001091 0Rh 2dx2y2 -0.005345 0.008408 0.004028 0.005705 -0.009346 0.000969 0Rh 2dxy 0.004996 -0.000103 -0.006204 0.001903 -0.001842 0.004325 0Rh 3dz2 0.002379 -0.009682 -0.005040 0.004689 0.039526 -0.017291 0Rh 3dxz 0.031711 0.035169 -0.009407 -0.003144 0.022984 -0.009593 0Rh 3dyz 0.005877 -0.001992 0.005781 0.020168 -0.000024 -0.020511 0Rh 3dx2y2 -0.021222 0.047886 0.027138 0.026561 -0.073859 -0.005328 0Rh 3dxy 0.038620 -0.001856 -0.018854 0.033829 -0.021164 0.019199 0Rh 4dz2 -0.003494 -0.042663 -0.014388 -0.020704 0.098060 -0.058908 0Rh 4dxz 0.097605 0.109578 -0.017108 -0.053266 -0.000191 -0.022634 0Rh 4dyz -0.040262 -0.015936 0.011954 -0.032715 -0.024539 -0.019324 0Rh 4dx2y2 -0.099574 0.159142 0.073491 0.106805 -0.171588 0.018917 0Rh 4dxy 0.091200 -0.001280 -0.106402 0.044536 -0.036682 0.081691 0Rh 5dz2 0.056465 0.161207 0.021850 0.243471 -0.108384 0.122986 0Rh 5dxz -0.293397 -0.232827 -0.008279 0.193078 0.193602 0.117514 0Rh 5dyz 0.284401 0.077149 0.003911 0.457494 0.120666 -0.123632 0Rh 5dx2y2 0.341507 -0.466684 -0.112433 -0.312293 0.163241 -0.168126 0Rh 5dxy -0.138224 -0.010773 0.329298 0.004682 0.003719 -0.312627 0Rh 1f0 -0.002461 0.000393 0.010198 -0.015124 -0.017106 -0.009436 0Rh 1f+1 -0.009971 0.003113 0.005504 -0.005024 -0.005304 0.008850 0Rh 1f-1 -0.006872 -0.005773 0.006587 -0.005861 0.009390 -0.013372 0Rh 1f+2 -0.001170 0.021941 -0.001154 0.011802 0.007711 0.002211 0Rh 1f-2 -0.001441 0.006929 -0.011443 -0.009746 0.003839 -0.007635 0Rh 1f+3 -0.007470 0.003092 0.008707 0.019958 0.015063 0.012049 0Rh 1f-3 -0.006554 0.013290 -0.018671 -0.012334 0.001367 0.001362 1Rh 1s 0.000846 -0.001069 -0.001733 -0.001296 0.003573 -0.000898 1Rh 2s -0.003811 0.003831 0.005202 0.005950 -0.008595 0.003467 1Rh 3s 0.002598 -0.003886 -0.006921 -0.003909 0.015578 -0.003115 1Rh 4s 0.017787 -0.017538 -0.023268 -0.027849 0.036837 -0.015995 1Rh 5s -0.019812 0.011968 0.004651 0.032103 0.026117 0.013131 1Rh 6s -0.022442 0.053795 0.122416 0.030117 -0.353331 0.041522 1Rh 7s -0.032006 0.037608 -0.639290 -0.089832 1.770383 -0.129666 1Rh 8s 0.016465 0.093580 -0.051164 0.696434 -0.029663 0.316159 1Rh 1pz 0.006387 0.006839 0.008618 0.002182 0.002820 -0.003482 1Rh 1px -0.006576 0.005295 0.002449 0.009020 0.001498 0.001504 1Rh 1py 0.003104 -0.002024 -0.008617 0.011643 -0.004646 0.008030 1Rh 2pz -0.021763 -0.023754 -0.028682 -0.007348 -0.009380 0.011883 1Rh 2px 0.022445 -0.018091 -0.008200 -0.030797 -0.004961 -0.004978 1Rh 2py -0.011008 0.006860 0.029052 -0.039553 0.015353 -0.027498 1Rh 3pz 0.010104 0.020291 -0.000644 0.001598 -0.000978 -0.005786 1Rh 3px -0.011259 0.008937 0.000507 0.015486 0.000278 -0.000872 1Rh 3py 0.013981 -0.002389 -0.007355 0.015547 0.002925 0.015100 1Rh 4pz 0.076873 0.045696 0.155839 0.033010 0.058896 -0.040906 1Rh 4px -0.075506 0.065230 0.044732 0.103476 0.017778 0.031897 1Rh 4py 0.002895 -0.027408 -0.124284 0.152194 -0.095690 0.089177 1Rh 5pz -0.101690 -0.020845 -0.226804 -0.045775 -0.125835 0.054365 1Rh 5px 0.096539 -0.114113 -0.085275 -0.125311 0.034787 -0.064907 1Rh 5py 0.027072 0.036307 0.148287 -0.216076 0.155866 -0.117916 1Rh 6pz 0.170465 -1.264840 0.882996 0.058506 1.167327 -0.143214 1Rh 6px -0.240105 0.819918 0.735038 0.175809 -1.129017 0.737027 1Rh 6py -1.151980 -0.023130 -0.350360 1.015614 -0.693494 -0.011440 1Rh 1dz2 0.000117 -0.009105 0.003012 -0.000384 -0.029199 -0.015527 1Rh 1dxz 0.026802 0.028797 0.007712 -0.008285 -0.009899 -0.008016 1Rh 1dyz -0.002916 -0.002631 -0.004796 0.005846 0.003239 -0.012028 1Rh 1dx2y2 -0.020656 0.040421 -0.023323 0.024810 0.052983 0.001961 1Rh 1dxy 0.028470 -0.001332 0.021298 0.021868 0.012490 0.017270 1Rh 2dz2 0.000461 0.002181 -0.000659 0.000788 0.005321 0.003416 1Rh 2dxz -0.005357 -0.006154 -0.001280 0.003169 -0.000520 0.001100 1Rh 2dyz 0.002614 0.000823 0.000567 0.001475 -0.001548 0.001139 1Rh 2dx2y2 0.005265 -0.008503 0.004544 -0.005757 -0.009127 -0.001354 1Rh 2dxy -0.004991 0.000188 -0.006357 -0.002386 -0.001636 -0.004101 1Rh 3dz2 -0.002194 0.009605 -0.003405 -0.003188 0.039005 0.018335 1Rh 3dxz -0.033238 -0.034759 -0.010807 0.003828 0.022987 0.011922 1Rh 3dyz -0.005259 0.001977 0.007885 -0.019246 -0.000227 0.020799 1Rh 3dx2y2 0.020603 -0.048496 0.029775 -0.027418 -0.072921 0.001968 1Rh 3dxy -0.038913 0.002075 -0.017986 -0.035847 -0.019343 -0.018869 1Rh 4dz2 0.007814 0.041719 -0.013045 0.023063 0.096104 0.060015 1Rh 4dxz -0.104395 -0.108500 -0.023231 0.053890 -0.002365 0.028329 1Rh 4dyz 0.046944 0.015153 0.009331 0.031529 -0.026132 0.020169 1Rh 4dx2y2 0.098121 -0.160850 0.083036 -0.107853 -0.167281 -0.026101 1Rh 4dxy -0.090936 0.002733 -0.108637 -0.053143 -0.032406 -0.077886 1Rh 5dz2 -0.073771 -0.157804 0.035854 -0.241198 -0.098713 -0.119238 1Rh 5dxz 0.311024 0.231194 0.011243 -0.190447 0.203506 -0.123308 1Rh 5dyz -0.316043 -0.074070 0.046186 -0.441164 0.129411 0.122594 1Rh 5dx2y2 -0.339903 0.469770 -0.138529 0.310152 0.146328 0.172754 1Rh 5dxy 0.131859 0.006193 0.346563 0.020449 -0.007540 0.296992 1Rh 1f0 -0.001861 0.000471 -0.009797 -0.015116 0.018220 -0.009070 1Rh 1f+1 -0.009570 0.002899 -0.005961 -0.005054 0.005524 0.008401 1Rh 1f-1 -0.007427 -0.005799 -0.006993 -0.006272 -0.009027 -0.013438 1Rh 1f+2 -0.000861 0.022146 0.000380 0.011349 -0.008292 0.001588 1Rh 1f-2 -0.002775 0.006895 0.011351 -0.008523 -0.003285 -0.008331 1Rh 1f+3 -0.007318 0.003144 -0.010152 0.018699 -0.016219 0.011909 1Rh 1f-3 -0.006118 0.012853 0.019204 -0.011184 -0.001027 0.000125 2C 1s -0.003888 -0.002064 0.003221 -0.002929 -0.001028 0.000704 2C 2s -0.004855 -0.001929 0.007292 -0.004541 -0.005026 0.001778 2C 3s -0.143246 -0.074797 0.007995 -0.080658 0.108810 -0.002631 2C 4s 0.810084 0.382134 -0.198052 0.567639 -0.419657 -0.028172 2C 5s 0.783375 0.961865 -1.713352 -1.360133 3.821165 1.064919 2C 1pz 0.063659 0.052826 -0.102665 0.055333 0.010638 0.056503 2C 1px -0.007892 -0.057119 -0.005399 0.007321 0.002220 -0.023067 2C 1py 0.101018 0.052995 0.078734 -0.022024 -0.000748 -0.056565 2C 2pz 0.710297 0.352413 -0.453179 0.520048 -0.314182 0.199375 2C 2px 0.220643 -0.256980 0.085085 0.214916 -0.079187 -0.170037 2C 2py 0.612968 0.518518 0.144759 0.179347 -0.333827 -0.374498 2C 3pz 0.356173 0.757174 -1.026724 0.170429 0.696309 0.470278 2C 3px -0.301662 -0.150768 -0.063096 -0.721818 0.373458 -0.088565 2C 3py 0.908348 0.175368 0.501652 -0.494493 0.505113 0.063715 2C 1dz2 -0.000249 -0.000872 0.003234 -0.001223 0.001257 -0.003033 2C 1dxz 0.001718 0.004401 0.006633 -0.008569 0.000277 -0.000065 2C 1dyz -0.004969 -0.003972 0.000547 -0.002435 -0.000886 -0.000270 2C 1dx2y2 0.000229 -0.005158 0.006725 -0.001602 -0.001431 -0.008381 2C 1dxy -0.004579 -0.004538 -0.002402 -0.002652 0.001651 0.003868 2C 2dz2 0.300355 0.514001 -0.302534 0.360366 -0.302493 -0.126179 2C 2dxz 0.133570 0.632051 -0.017010 -0.123992 -0.170867 -0.117447 2C 2dyz 0.799459 0.060923 0.147434 0.268277 -0.300338 -0.161118 2C 2dx2y2 -0.345466 -0.208563 0.247024 -0.225271 0.019355 -0.404943 2C 2dxy -0.170975 -0.168466 -0.573206 0.182557 0.038594 0.436086 2C 1f0 0.001346 0.004872 0.018545 -0.008692 -0.006663 -0.024202 2C 1f+1 0.004546 -0.010702 -0.013448 0.014416 -0.002157 0.006235 2C 1f-1 0.024094 0.018425 -0.016351 0.013587 -0.012410 0.008689 2C 1f+2 -0.005832 0.016840 -0.008305 -0.000880 0.002474 0.006519 2C 1f-2 0.000046 0.010154 0.005606 -0.000780 -0.000702 -0.006726 2C 1f+3 0.026136 0.023585 0.009504 0.004870 -0.012531 -0.018213 2C 1f-3 0.006037 -0.017327 0.003814 0.004599 -0.002566 -0.005761 3C 1s 0.002032 -0.002415 0.000464 0.000548 -0.003078 0.001161 3C 2s 0.002491 -0.002659 0.000055 -0.000105 -0.009568 -0.000421 3C 3s 0.054288 -0.104661 0.000272 0.052626 0.067127 0.104703 3C 4s -0.264915 0.591842 -0.022846 -0.252219 -0.097468 -0.564291 3C 5s -1.193824 0.739349 -0.543454 -0.184989 4.288521 0.410987 3C 1pz -0.054531 0.068174 -0.019398 -0.036753 0.043643 -0.081331 3C 1px 0.025348 0.014934 -0.002434 -0.029188 0.071541 -0.045380 3C 1py 0.050738 -0.057821 0.016875 -0.015450 0.001627 -0.016313 3C 2pz -0.415781 0.274905 -0.339003 -0.017648 -0.172623 -0.748137 3C 2px 0.032153 0.048806 0.227337 -0.363341 0.361375 -0.202837 3C 2py 0.332557 -0.591480 -0.023796 0.097410 0.244541 0.130393 3C 3pz -0.314452 0.848289 -0.003543 -0.377840 0.513441 -0.195935 3C 3px 0.364912 0.165707 0.100819 0.070912 1.013336 -0.563772 3C 3py 0.781153 -0.254304 0.320349 -0.116281 -0.736370 -0.068930 3C 1dz2 -0.002768 0.002049 -0.003744 0.003308 -0.002182 -0.006060 3C 1dxz -0.001696 0.001590 -0.000716 0.006765 -0.005200 0.000572 3C 1dyz -0.003285 0.005133 -0.001277 -0.002276 0.002419 -0.007013 3C 1dx2y2 0.004743 -0.002674 0.003670 0.003585 0.000899 0.002725 3C 1dxy -0.003298 0.001936 -0.005031 -0.001705 -0.005920 0.005193 3C 2dz2 0.120196 0.194250 0.141300 -0.280480 0.281081 -0.066413 3C 2dxz -0.363595 0.455970 -0.189010 0.200289 -0.600193 0.226909 3C 2dyz -0.000205 -0.459541 -0.397245 0.388914 -0.156622 -0.282980 3C 2dx2y2 0.483180 -0.123474 0.311107 0.015666 0.159189 0.759269 3C 2dxy 0.200319 -0.258802 0.269076 -0.079080 0.097129 0.645050 3C 1f0 0.021447 -0.013353 0.015312 0.000362 0.002671 0.045926 3C 1f+1 0.015889 -0.005211 0.016949 -0.013994 0.020068 0.012866 3C 1f-1 0.001075 -0.015463 -0.009375 0.005559 0.006038 -0.023517 3C 1f+2 -0.000229 -0.004625 0.000374 -0.004359 0.003917 0.003371 3C 1f-2 -0.004736 -0.003082 -0.008638 0.012683 -0.011140 -0.002666 3C 1f+3 -0.010702 0.015643 0.003894 0.002039 -0.016725 0.019614 3C 1f-3 -0.009486 0.000978 -0.011644 0.008128 -0.014936 0.002395 4C 1s 0.006613 0.011915 -0.006769 -0.008000 0.002338 0.006065 4C 2s 0.010177 0.027692 -0.016419 -0.025197 0.010760 0.015717 4C 3s 0.392950 0.107368 -0.025724 0.402125 -0.267015 -0.105333 4C 4s -3.087979 -1.868704 0.457122 -1.779089 1.652100 0.018534 4C 5s -2.514991 -3.711464 1.299470 1.568235 -2.056337 -1.541161 4C 1pz 0.031466 -0.011077 -0.010467 0.049748 -0.027307 0.009346 4C 1px 0.084020 -0.043164 0.026928 0.131384 0.014086 -0.072300 4C 1py 0.028918 0.031985 0.001061 0.084009 -0.031641 -0.050981 4C 2pz 0.578295 0.262926 -0.145064 0.221776 -0.331914 -0.108704 4C 2px 0.177310 -0.008490 0.070953 0.326221 0.024720 -0.083867 4C 2py 0.370429 0.176266 -0.135927 0.273455 -0.184164 -0.059815 4C 3pz -0.054385 -0.764355 -0.411081 -1.064754 2.898644 0.601556 4C 3px 0.549818 0.018135 -0.206741 1.187068 0.445496 0.298173 4C 3py -0.780367 0.093604 -1.253182 0.023838 1.813095 0.178411 4C 1dz2 0.019161 -0.000364 0.005878 0.004365 -0.005331 0.001279 4C 1dxz 0.009890 0.005844 -0.004970 0.003372 -0.007598 0.007019 4C 1dyz 0.002800 0.008283 -0.006006 0.002365 -0.005643 -0.000145 4C 1dx2y2 -0.009683 -0.009628 0.001418 -0.009524 0.009532 0.003744 4C 1dxy -0.001170 -0.003207 0.002466 -0.010008 0.004518 0.001539 4C 2dz2 -0.260346 0.031646 -0.060189 -0.205412 0.107791 0.045641 4C 2dxz -0.125916 0.102503 -0.273476 0.172255 0.086818 0.098816 4C 2dyz -0.315926 -0.236283 0.143692 -0.139330 0.158911 0.077145 4C 2dx2y2 -0.215240 -0.026635 -0.293037 0.271787 -0.177069 0.099403 4C 2dxy 0.029330 -0.199960 0.427789 -0.055550 0.045134 -0.248592 4C 1f0 0.010419 0.006342 -0.006058 0.008792 -0.002474 0.003465 4C 1f+1 0.026433 0.006444 -0.004739 0.014444 -0.006820 -0.005507 4C 1f-1 0.023385 0.012193 -0.008394 0.018092 -0.022147 -0.003967 4C 1f+2 -0.024796 -0.018158 0.005321 -0.024741 0.011448 0.004243 4C 1f-2 0.012630 -0.000660 0.005387 0.010858 -0.006466 -0.009289 4C 1f+3 0.005680 -0.005135 0.005086 -0.007622 -0.003153 -0.005267 4C 1f-3 0.016412 0.010133 -0.004434 0.004149 -0.004435 -0.003119 5C 1s -0.011735 0.007200 -0.004778 0.002730 0.003532 -0.004278 5C 2s -0.027889 0.013509 -0.012909 0.008865 0.011662 -0.007489 5C 3s -0.073465 0.246550 0.048304 -0.136190 -0.153903 -0.200003 5C 4s 1.540338 -2.278433 0.128028 0.601877 1.016429 1.781308 5C 5s 3.362197 -2.490754 0.807537 -0.542225 -2.366530 1.607563 5C 1pz -0.004584 -0.006912 -0.032570 0.031628 -0.029052 -0.078910 5C 1px -0.027774 -0.009865 -0.017877 -0.134442 0.034154 0.026529 5C 1py -0.028227 -0.040188 -0.028302 0.025318 0.022625 0.016017 5C 2pz -0.111488 0.177131 0.019067 -0.021538 -0.116681 -0.155749 5C 2px -0.228938 0.073940 -0.199406 0.047264 0.015333 -0.089189 5C 2py 0.234159 -0.354011 0.025921 0.138652 0.110511 0.219999 5C 3pz 0.101572 -0.895298 -0.294991 0.103734 1.831636 0.200815 5C 3px -0.690985 0.194310 -1.077776 -0.066129 0.434789 0.654553 5C 3py -0.686130 -0.301743 0.042713 0.379821 -3.256184 -0.597651 5C 1dz2 -0.005309 -0.007193 -0.003168 0.000314 -0.005121 -0.005137 5C 1dxz -0.003127 0.005514 -0.003247 0.001680 -0.005964 -0.013048 5C 1dyz 0.005337 0.001714 -0.002545 0.000874 -0.002825 -0.001160 5C 1dx2y2 0.004989 -0.017099 -0.003318 0.009375 0.003650 0.007928 5C 1dxy 0.004964 -0.005567 0.000227 -0.004991 0.009058 0.005005 5C 2dz2 -0.162695 0.200674 0.092644 -0.141878 0.059038 0.176557 5C 2dxz 0.029301 0.151565 -0.060574 -0.136920 0.316493 -0.160105 5C 2dyz -0.265659 0.137953 -0.096382 0.074995 -0.037770 -0.226962 5C 2dx2y2 0.050724 0.129605 0.126916 -0.273300 -0.002100 0.010395 5C 2dxy 0.104629 0.157287 0.008152 -0.096874 0.065576 -0.311951 5C 1f0 -0.004876 -0.002728 -0.001238 0.008380 0.007950 0.006877 5C 1f+1 -0.001903 0.007587 -0.000173 -0.000222 0.001973 -0.012205 5C 1f-1 0.002925 -0.000606 0.003730 -0.005194 0.005756 0.007499 5C 1f+2 0.013925 -0.010364 0.004786 -0.004467 0.017844 0.009585 5C 1f-2 0.013901 -0.014704 0.003216 0.005578 0.001572 0.014897 5C 1f+3 -0.004835 0.014673 0.005646 -0.013716 -0.000369 -0.011505 5C 1f-3 0.015220 -0.020438 0.002033 0.000335 0.007656 0.005839 6C 1s 0.011301 -0.007170 -0.004110 -0.002742 0.003407 0.004547 6C 2s 0.027092 -0.013422 -0.011084 -0.008877 0.011440 0.008339 6C 3s 0.059222 -0.247618 0.035376 0.134994 -0.158871 0.191708 6C 4s -1.458926 2.287902 0.141969 -0.568934 1.059136 -1.739880 6C 5s -3.250288 2.483236 0.637603 0.479319 -2.328433 -1.707669 6C 1pz -0.005226 -0.006087 0.028239 0.035294 0.028802 -0.078364 6C 1px -0.028598 -0.009801 0.030986 -0.132964 -0.031584 0.026632 6C 1py -0.029888 -0.039814 0.025228 0.026516 -0.023651 0.015334 6C 2pz -0.093591 0.178211 -0.018895 -0.020476 0.115240 -0.152187 6C 2px -0.226784 0.072614 0.207421 0.059597 -0.012956 -0.091238 6C 2py 0.210130 -0.356406 -0.034651 0.134900 -0.115363 0.216062 6C 3pz 0.163573 -0.916002 0.259595 0.060979 -1.825514 0.138241 6C 3px -0.703801 0.186486 1.104878 0.001187 -0.449412 0.576001 6C 3py -0.749308 -0.272787 -0.065165 0.488995 3.241721 -0.484554 6C 1dz2 0.005316 0.007206 -0.003004 -0.000844 -0.005081 0.004923 6C 1dxz 0.002884 -0.005643 -0.002778 -0.001999 -0.006199 0.012845 6C 1dyz -0.004581 -0.001778 -0.002557 -0.001301 -0.002821 0.001316 6C 1dx2y2 -0.004317 0.017090 -0.002685 -0.009499 0.004026 -0.007434 6C 1dxy -0.004604 0.005556 -0.000268 0.005300 0.008968 -0.004890 6C 2dz2 0.153179 -0.198478 0.086612 0.151854 0.053478 -0.172242 6C 2dxz -0.015452 -0.156209 -0.065017 0.145240 0.302706 0.168202 6C 2dyz 0.237821 -0.135891 -0.090862 -0.077603 -0.036405 0.225068 6C 2dx2y2 -0.055483 -0.129990 0.104285 0.282181 -0.012963 -0.017889 6C 2dxy -0.112859 -0.161574 0.011286 0.102210 0.055506 0.311297 6C 1f0 -0.005024 -0.002856 0.000801 0.008108 -0.008264 0.006452 6C 1f+1 -0.001370 0.007683 -0.000056 -0.000428 -0.001896 -0.012241 6C 1f-1 0.003072 -0.000708 -0.003161 -0.005686 -0.005526 0.007496 6C 1f+2 0.013516 -0.010418 -0.004522 -0.005362 -0.017689 0.009332 6C 1f-2 0.013021 -0.014744 -0.003811 0.005478 -0.001921 0.014618 6C 1f+3 -0.003583 0.014673 -0.004682 -0.014142 0.000902 -0.011023 6C 1f-3 0.014193 -0.020420 -0.001975 0.000233 -0.007774 0.006058 7C 1s -0.006326 -0.011909 -0.007615 0.007593 0.002158 -0.005671 7C 2s -0.009748 -0.027601 -0.018569 0.024470 0.010007 -0.014615 7C 3s -0.378709 -0.111639 -0.018062 -0.418531 -0.244843 0.098744 7C 4s 3.017439 1.886751 0.494759 1.896586 1.523779 0.012054 7C 5s 2.426622 3.705045 1.521487 -1.549838 -2.031427 1.374306 7C 1pz 0.031949 -0.010467 0.011469 0.050809 0.022538 0.009417 7C 1px 0.079721 -0.042545 -0.035890 0.130400 -0.016158 -0.070054 7C 1py 0.028688 0.030952 -0.006358 0.085282 0.029046 -0.051101 7C 2pz 0.560049 0.261531 0.152052 0.246792 0.308342 -0.113004 7C 2px 0.166609 -0.003637 -0.080937 0.322117 -0.031819 -0.076823 7C 2py 0.355324 0.178885 0.133447 0.295142 0.168792 -0.061463 7C 3pz -0.114725 -0.770278 0.475266 -1.162922 -2.840908 0.427823 7C 3px 0.579421 0.039305 0.129316 1.154700 -0.476743 0.280642 7C 3py -0.829219 0.098621 1.217836 0.030005 -1.794223 0.055216 7C 1dz2 -0.018496 0.000361 0.005411 -0.004351 -0.004908 -0.001610 7C 1dxz -0.009928 -0.005932 -0.005571 -0.003783 -0.006983 -0.006971 7C 1dyz -0.001919 -0.008357 -0.005871 -0.003230 -0.005543 0.000234 7C 1dx2y2 0.009461 0.009739 0.001327 0.010076 0.009062 -0.003401 7C 1dxy 0.000826 0.003177 0.001811 0.010418 0.004131 -0.001424 7C 2dz2 0.247659 -0.030838 -0.059705 0.204187 0.094875 -0.044275 7C 2dxz 0.135031 -0.104590 -0.258451 -0.191065 0.089956 -0.092535 7C 2dyz 0.294642 0.238819 0.145554 0.161228 0.151530 -0.083036 7C 2dx2y2 0.228097 0.027525 -0.270272 -0.301206 -0.163480 -0.099117 7C 2dxy -0.045457 0.199962 0.430254 0.085842 0.029081 0.234782 7C 1f0 0.010255 0.006567 0.006159 0.009054 0.001656 0.003435 7C 1f+1 0.024708 0.006736 0.005074 0.015538 0.005824 -0.005439 7C 1f-1 0.022917 0.012283 0.008357 0.019511 0.020705 -0.003664 7C 1f+2 -0.024405 -0.018491 -0.004742 -0.025763 -0.010367 0.004236 7C 1f-2 0.011781 -0.000655 -0.005598 0.011131 0.006090 -0.008801 7C 1f+3 0.005467 -0.005316 -0.004488 -0.007625 0.003398 -0.005061 7C 1f-3 0.015838 0.010274 0.004777 0.004943 0.004032 -0.003429 8C 1s -0.001610 0.002389 0.000513 -0.000704 -0.003028 -0.001308 8C 2s -0.001461 0.002575 0.000145 -0.000439 -0.009532 0.000008 8C 3s -0.050991 0.104906 0.001915 -0.050090 0.069762 -0.100702 8C 4s 0.227417 -0.590583 -0.033610 0.248433 -0.111685 0.554399 8C 5s 1.021908 -0.703133 -0.498426 0.328884 4.264632 -0.245500 8C 1pz -0.056488 0.068986 0.017953 -0.036767 -0.041329 -0.083728 8C 1px 0.024828 0.014856 0.004617 -0.030973 -0.068677 -0.044693 8C 1py 0.043354 -0.057160 -0.017013 -0.015175 -0.000769 -0.014686 8C 2pz -0.419059 0.279782 0.316759 0.012198 0.180207 -0.751188 8C 2px 0.050459 0.049731 -0.201501 -0.389150 -0.346168 -0.187064 8C 2py 0.284530 -0.589725 0.010730 0.098148 -0.249938 0.125466 8C 3pz -0.309249 0.850625 0.018900 -0.398883 -0.500812 -0.220165 8C 3px 0.380836 0.163046 -0.125381 0.025611 -0.993352 -0.568526 8C 3py 0.716967 -0.242662 -0.294150 -0.103348 0.734905 -0.028374 8C 1dz2 0.002964 -0.002096 -0.003556 -0.003755 -0.002096 0.006080 8C 1dxz 0.001450 -0.001547 -0.000165 -0.006862 -0.004911 -0.000644 8C 1dyz 0.003452 -0.005206 -0.001069 0.002225 0.002104 0.007082 8C 1dx2y2 -0.005169 0.002734 0.003625 -0.003183 0.001168 -0.002831 8C 1dxy 0.003252 -0.001884 -0.005370 0.001231 -0.005777 -0.004988 8C 2dz2 -0.095238 -0.199737 0.123055 0.291801 0.261335 0.066523 8C 2dxz 0.350391 -0.453880 -0.173455 -0.225770 -0.588903 -0.225134 8C 2dyz 0.045571 0.456005 -0.352568 -0.428778 -0.147902 0.292169 8C 2dx2y2 -0.490282 0.131391 0.291035 0.017402 0.167364 -0.751677 8C 2dxy -0.212123 0.264121 0.251597 0.102703 0.108459 -0.651216 8C 1f0 0.021919 -0.013889 -0.014358 -0.001146 -0.003528 0.045909 8C 1f+1 0.016167 -0.005191 -0.015176 -0.015787 -0.019481 0.012780 8C 1f-1 -0.000303 -0.015271 0.008443 0.006407 -0.005994 -0.023731 8C 1f+2 -0.000717 -0.004673 0.000258 -0.004370 -0.003860 0.003044 8C 1f-2 -0.005511 -0.002846 0.007355 0.013563 0.010765 -0.002739 8C 1f+3 -0.008711 0.015432 -0.003448 0.001611 0.016012 0.019703 8C 1f-3 -0.010736 0.001248 0.010694 0.009532 0.014796 0.002057 9C 1s 0.003512 0.002099 0.003194 0.003178 -0.001187 -0.000940 9C 2s 0.003899 0.002017 0.007158 0.005031 -0.005207 -0.002393 9C 3s 0.140285 0.075444 0.010745 0.085836 0.102019 0.004116 9C 4s -0.774177 -0.387985 -0.208680 -0.601803 -0.377258 0.036035 9C 5s -0.635323 -0.959527 -1.808368 1.392880 3.746738 -0.796621 9C 1pz 0.058168 0.054247 0.103413 0.062840 -0.015769 0.053176 9C 1px -0.014912 -0.056308 0.007156 0.010718 -0.001343 -0.021681 9C 1py 0.102278 0.052219 -0.075220 -0.027324 0.003180 -0.057654 9C 2pz 0.676690 0.360662 0.463803 0.564962 0.268716 0.194710 9C 2px 0.175452 -0.260093 -0.084211 0.230903 0.070810 -0.164097 9C 2py 0.606741 0.512937 -0.142866 0.187088 0.330009 -0.376240 9C 3pz 0.302180 0.760976 1.029370 0.217929 -0.705216 0.399015 9C 3px -0.353180 -0.150471 0.132412 -0.706877 -0.341793 -0.101762 9C 3py 0.901659 0.174106 -0.436390 -0.553779 -0.493555 0.034425 9C 1dz2 -0.000142 0.000846 0.003266 0.001679 0.001047 0.002947 9C 1dxz -0.001839 -0.004302 0.005867 0.008953 0.000019 0.000011 9C 1dyz 0.005201 0.003935 0.000792 0.002377 -0.001115 0.000228 9C 1dx2y2 -0.000134 0.005102 0.006822 0.001930 -0.001722 0.008359 9C 1dxy 0.004909 0.004621 -0.002484 0.002467 0.001722 -0.003771 9C 2dz2 -0.277792 -0.506591 -0.285017 -0.399140 -0.283619 0.127490 9C 2dxz -0.168513 -0.633916 -0.023311 0.129312 -0.178481 0.115233 9C 2dyz -0.767985 -0.073607 0.130813 -0.281242 -0.283779 0.159774 9C 2dx2y2 0.362587 0.203657 0.267258 0.235582 -0.013172 0.412966 9C 2dxy 0.190852 0.164102 -0.568415 -0.215931 0.061691 -0.421774 9C 1f0 0.000490 0.004719 -0.018918 -0.009351 0.007978 -0.024259 9C 1f+1 0.002820 -0.010696 0.012496 0.015628 0.001238 0.005651 9C 1f-1 0.023368 0.018525 0.016908 0.015378 0.011024 0.008490 9C 1f+2 -0.003940 0.016351 0.008041 -0.000732 -0.002442 0.006413 9C 1f-2 0.000891 0.010341 -0.005777 -0.001239 0.001202 -0.006659 9C 1f+3 0.026075 0.023771 -0.009576 0.004494 0.012626 -0.017919 9C 1f-3 0.005050 -0.016405 -0.003791 0.005419 0.002823 -0.006155 10H 1s -0.023088 -0.044362 0.015627 0.000327 0.004852 -0.023226 10H 2s 0.174088 0.800346 -0.436748 0.112468 -0.133568 0.398913 10H 3s 0.136533 -0.035000 0.110856 0.388734 -0.374007 -0.010986 10H 1pz 0.006148 0.038704 -0.012376 -0.000644 -0.006214 0.010097 10H 1px -0.008686 -0.047059 0.034218 -0.006280 0.009294 -0.022279 10H 1py -0.010385 0.012652 -0.025941 0.008090 0.000227 0.013879 11H 1s 0.004891 0.013917 0.035772 -0.020188 0.004309 -0.012848 11H 2s 0.091665 -0.708982 -0.457196 0.475053 0.052929 0.448914 11H 3s -0.240326 0.303593 -0.163274 -0.024914 -0.134368 -0.075083 11H 1pz 0.015216 -0.048911 0.000163 0.016686 -0.005044 0.006255 11H 1px 0.012110 -0.020189 -0.028535 0.035726 0.005749 0.026167 11H 1py -0.004026 0.019690 0.015223 -0.003409 -0.008640 -0.013941 12H 1s -0.029969 -0.012271 -0.035030 0.007313 0.011748 0.038103 12H 2s 0.467272 0.320605 0.807549 -0.110750 -0.322600 -0.915050 12H 3s 0.137628 -0.177982 0.318313 -0.166099 -0.052022 0.084392 12H 1pz -0.012867 -0.005645 -0.016040 0.009008 -0.006480 0.003473 12H 1px 0.034141 0.022300 0.026658 0.006565 -0.008784 -0.022372 12H 1py 0.020404 0.028389 0.033698 0.000295 -0.027230 -0.066903 13H 1s 0.033351 -0.024265 0.012235 -0.014090 0.027042 0.022323 13H 2s -0.694323 0.381299 -0.722820 0.474838 -0.951638 -0.482302 13H 3s 0.007061 0.081443 0.244374 -0.199725 -0.294503 0.186577 13H 1pz -0.038799 0.007810 -0.042857 0.033593 -0.062608 -0.014050 13H 1px 0.034185 -0.020706 0.035912 -0.020325 0.041553 0.031590 13H 1py 0.019417 -0.015154 0.032273 -0.028531 0.030729 0.037780 14H 1s 0.008698 -0.009513 0.007979 0.021716 -0.022065 0.042696 14H 2s 0.042463 -0.127801 -0.041205 -0.368152 0.601636 -1.011854 14H 3s 0.216787 0.280150 0.025033 0.039141 -0.108775 -0.149709 14H 1pz 0.001836 -0.029967 -0.008828 -0.004271 0.015721 -0.037127 14H 1px -0.010000 -0.006608 -0.003111 -0.025418 0.031382 -0.067053 14H 1py 0.001752 0.009229 -0.001482 -0.000770 0.015760 -0.003991 15H 1s 0.000568 0.006642 -0.009077 -0.001079 0.013292 -0.039564 15H 2s 0.297917 0.262511 0.561061 -0.158582 0.008340 1.099456 15H 3s -0.160565 -0.209206 -0.257235 0.253050 -0.173816 -0.359030 15H 1pz -0.003600 -0.018290 -0.022548 0.003100 -0.010605 -0.044041 15H 1px -0.010726 0.006987 0.004184 -0.004713 -0.012263 0.028539 15H 1py -0.023396 -0.015888 -0.048803 0.031176 -0.005104 -0.076160 16H 1s 0.006669 -0.005495 -0.002899 0.014071 -0.002018 -0.012526 16H 2s 0.027958 0.110466 -0.031773 -0.122321 0.253277 0.021508 16H 3s 0.106058 0.032079 0.036298 0.036805 -0.212283 0.004609 16H 1pz -0.025326 0.008498 0.023491 -0.001614 -0.013711 0.017442 16H 1px 0.007871 -0.023269 -0.006228 0.065660 0.003901 -0.032668 16H 1py 0.034427 0.001628 -0.050588 -0.036156 0.060387 -0.009602 17H 1s -0.002140 0.009610 0.006853 -0.018325 -0.006515 0.006388 17H 2s 0.086181 0.002248 -0.157824 -0.040629 0.270323 -0.033911 17H 3s 0.083376 -0.174332 -0.010143 0.071266 -0.081479 0.008998 17H 1pz 0.027232 0.004322 -0.042622 -0.044503 -0.000243 0.000835 17H 1px -0.014527 0.009282 0.040017 -0.032939 0.010368 0.024887 17H 1py 0.022664 0.004382 -0.026663 -0.046823 0.046880 0.010131 18H 1s 0.001786 -0.010190 0.005670 0.017820 -0.006911 -0.006583 18H 2s -0.083950 -0.005546 -0.154942 0.038337 0.271137 0.050151 18H 3s -0.075731 0.174547 -0.008609 -0.075977 -0.080072 -0.016068 18H 1pz 0.026527 0.003605 0.045848 -0.039509 0.001753 -0.001875 18H 1px -0.012969 0.009797 -0.038766 -0.035874 -0.008554 0.025747 18H 1py 0.024623 0.004142 0.030473 -0.048137 -0.045647 0.006757 19H 1s -0.006511 0.005103 -0.001195 -0.014395 -0.001562 0.012390 19H 2s -0.032710 -0.109587 -0.037101 0.129902 0.251264 -0.006924 19H 3s -0.113857 -0.031336 0.026837 -0.042982 -0.209492 -0.010422 19H 1pz -0.024787 0.008535 -0.024398 -0.002559 0.015507 0.018732 19H 1px 0.007362 -0.021875 0.000508 0.065585 -0.005878 -0.031668 19H 1py 0.032358 0.000780 0.052774 -0.033145 -0.060142 -0.013998 20H 1s 0.001814 -0.007053 -0.007514 0.000266 0.012638 0.039913 20H 2s -0.355676 -0.251401 0.506551 0.208900 0.015604 -1.109832 20H 3s 0.174294 0.208980 -0.226607 -0.283276 -0.170674 0.359056 20H 1pz -0.006942 -0.017687 0.020820 0.005650 0.011026 -0.043976 20H 1px -0.009792 0.006891 -0.003449 -0.005059 0.011733 0.028852 20H 1py -0.026431 -0.015320 0.043844 0.035410 0.004706 -0.076861 21H 1s -0.009787 0.009832 0.008430 -0.021456 -0.020474 -0.042435 21H 2s -0.011058 0.118620 -0.047773 0.369563 0.573413 1.000316 21H 3s -0.203350 -0.284440 0.027370 -0.039274 -0.112358 0.143529 21H 1pz 0.001155 -0.029816 0.008593 -0.003751 -0.015076 -0.036843 21H 1px -0.011234 -0.005760 0.003617 -0.025271 -0.029708 -0.066151 21H 1py 0.001495 0.009313 0.001226 -0.001484 -0.015503 -0.004443 22H 1s -0.033350 0.024586 0.009837 0.015679 0.026715 -0.022741 22H 2s 0.720117 -0.388425 -0.665709 -0.555169 -0.936734 0.500600 22H 3s -0.002950 -0.081210 0.219333 0.201789 -0.294680 -0.201969 22H 1pz -0.039410 0.008115 0.039450 0.038141 0.060926 -0.014710 22H 1px 0.035683 -0.020992 -0.033312 -0.024265 -0.041581 0.032401 22H 1py 0.021468 -0.015660 -0.029419 -0.031915 -0.030408 0.038412 23H 1s 0.029954 0.011687 -0.034626 -0.009148 0.013326 -0.037651 23H 2s -0.461278 -0.311588 0.808785 0.140251 -0.355519 0.902312 23H 3s -0.155065 0.173542 0.286602 0.186833 -0.046919 -0.103281 23H 1pz -0.013009 -0.006118 0.015106 0.010129 0.006008 0.003830 23H 1px 0.034068 0.021257 -0.026647 0.005251 0.008800 -0.021387 23H 1py 0.019433 0.027729 -0.035233 0.000218 0.029421 -0.066426 24H 1s -0.007087 -0.013270 0.034988 0.023649 0.002740 0.013030 24H 2s -0.028809 0.696194 -0.464627 -0.524870 0.095278 -0.451421 24H 3s 0.235304 -0.300964 -0.161058 0.009419 -0.138361 0.071230 24H 1pz 0.012999 -0.048314 0.000413 0.017557 0.003338 0.007112 24H 1px 0.009504 -0.019985 0.028424 0.038420 -0.008524 0.026101 24H 1py -0.001040 0.019188 -0.015885 -0.004470 0.009151 -0.013153 25H 1s 0.024954 0.043953 0.016734 -0.000023 0.003557 0.022607 25H 2s -0.243453 -0.800302 -0.434840 -0.114676 -0.110136 -0.397395 25H 3s -0.137204 0.035104 0.134476 -0.397683 -0.355694 -0.003802 25H 1pz 0.010042 0.038756 0.012796 -0.001176 0.005637 0.010219 25H 1px -0.012462 -0.046933 -0.034139 -0.007062 -0.007980 -0.022231 25H 1py -0.009330 0.012184 0.024683 0.008990 -0.001287 0.013594 26O 1s 0.002315 0.002092 0.003540 -0.003600 -0.010791 0.004173 26O 2s 0.006211 0.004990 0.007098 -0.004585 -0.020997 0.009529 26O 3s -0.023779 -0.008187 0.020348 -0.071017 -0.066116 0.000940 26O 4s -0.077650 -0.113757 -0.222437 0.517226 0.894603 -0.195490 26O 5s 0.996594 1.313028 0.083353 -1.591529 -2.420256 0.581121 26O 1pz 0.020019 -0.041617 0.027687 -0.010083 0.013080 -0.035099 26O 1px 0.044433 -0.020686 0.050942 0.020897 0.001627 -0.029016 26O 1py -0.004126 0.004574 -0.031556 0.025625 0.004747 -0.013475 26O 2pz 0.082413 -0.015609 0.044268 0.022187 0.106799 -0.052593 26O 2px 0.017047 -0.063107 0.144010 0.004657 0.053625 -0.030041 26O 2py -0.053110 0.034410 -0.112962 0.083160 0.091163 0.014597 26O 3pz -0.363412 -0.269734 0.110069 -0.122448 -0.916974 -0.060131 26O 3px -0.862540 -0.967024 -0.089329 0.210279 0.302574 -0.355402 26O 3py -0.288954 -0.672273 0.069612 -0.009844 -0.588522 0.010017 26O 1dz2 0.002193 0.004221 0.001614 -0.001954 -0.000972 -0.000272 26O 1dxz 0.000466 -0.000002 0.004162 0.000584 -0.001408 -0.002615 26O 1dyz -0.000941 -0.000700 0.003518 0.003990 0.001016 -0.000277 26O 1dx2y2 0.000886 -0.004427 0.005812 -0.002009 0.002910 -0.007139 26O 1dxy -0.005323 -0.002459 -0.005276 0.007289 0.000452 0.001309 26O 2dz2 -0.032168 0.021613 0.004153 -0.004471 -0.000937 0.007585 26O 2dxz 0.003280 -0.001196 0.009042 -0.012967 0.006328 -0.013224 26O 2dyz 0.026117 -0.006349 -0.016098 0.033443 0.034060 0.000968 26O 2dx2y2 0.032450 0.021249 0.004811 0.039787 -0.010318 -0.033853 26O 2dxy 0.020627 0.017799 -0.030198 0.065412 -0.010631 -0.000368 26O 1f0 -0.001383 0.000574 0.001020 0.000659 0.000397 -0.001957 26O 1f+1 0.004400 0.000356 0.000102 0.004949 -0.001186 -0.001880 26O 1f-1 0.001746 -0.001050 -0.000108 0.000823 0.001036 -0.000998 26O 1f+2 0.000694 0.001447 0.002022 0.000082 -0.001945 0.000424 26O 1f-2 0.000426 0.000896 -0.001158 -0.000795 0.000256 0.000437 26O 1f+3 0.000271 0.003278 -0.003706 0.004847 -0.002602 0.000518 26O 1f-3 0.004688 0.000539 -0.000078 0.005552 -0.002620 -0.002950 27O 1s 0.004103 0.003341 0.006606 -0.000742 -0.006312 -0.009851 27O 2s 0.008318 0.009134 0.013013 -0.003131 -0.011373 -0.020025 27O 3s 0.021240 -0.032503 0.039007 0.027413 -0.055300 -0.042780 27O 4s -0.262258 -0.066240 -0.497998 -0.062981 0.613614 0.748104 27O 5s 0.011810 0.933568 1.064174 0.020163 -1.733809 -2.413540 27O 1pz -0.004108 -0.048621 0.010093 -0.002268 -0.008825 0.025452 27O 1px -0.008332 -0.015791 0.017498 -0.041499 0.029291 0.029611 27O 1py -0.028444 0.009130 -0.047215 0.043068 -0.041818 -0.008443 27O 2pz -0.061964 -0.075855 -0.037542 -0.001607 -0.016540 0.055177 27O 2px -0.012049 -0.056911 0.050365 -0.016820 0.123639 0.081821 27O 2py -0.013353 -0.019450 -0.039588 0.117169 -0.160156 -0.026891 27O 3pz 0.301341 0.244241 0.283854 0.033721 -0.536891 -0.141736 27O 3px 0.755937 -0.825068 -0.405864 0.001134 -0.288121 0.533013 27O 3py -0.427633 0.319640 0.151655 -0.240138 0.965592 0.330451 27O 1dz2 -0.000763 0.003389 0.001704 0.001345 0.000029 -0.002446 27O 1dxz -0.002573 -0.000285 0.001916 0.004573 -0.005682 0.004400 27O 1dyz 0.001752 0.000742 0.000086 -0.000658 0.000638 -0.004545 27O 1dx2y2 0.001777 -0.003590 -0.001725 0.000504 -0.001310 0.005554 27O 1dxy -0.001046 -0.000040 -0.000210 0.001754 -0.000762 -0.000590 27O 2dz2 0.005855 0.011956 0.025010 -0.003497 0.007651 0.028462 27O 2dxz 0.003556 0.004884 0.018203 0.007986 0.004405 0.019756 27O 2dyz 0.017753 -0.028805 0.046145 0.040555 0.023805 -0.025905 27O 2dx2y2 -0.014767 0.039029 0.026478 -0.040075 -0.011261 0.010896 27O 2dxy -0.015994 -0.024280 0.008714 0.030460 -0.021493 0.015189 27O 1f0 0.000694 0.000583 0.001147 -0.000898 0.001727 0.002184 27O 1f+1 -0.001156 0.001761 -0.000798 -0.003007 -0.002137 -0.001750 27O 1f-1 -0.000150 -0.001103 -0.000085 0.001222 0.000408 -0.001723 27O 1f+2 -0.002910 0.000717 0.000326 0.001488 -0.004295 0.000240 27O 1f-2 -0.000815 0.000955 0.000713 0.000627 -0.001655 0.001202 27O 1f+3 0.000759 0.004142 0.000232 -0.005329 -0.000535 -0.002544 27O 1f-3 0.000188 0.001577 0.001205 0.002128 -0.001108 -0.000213 28O 1s 0.007161 0.007624 0.000765 0.012352 -0.008584 0.001880 28O 2s 0.016135 0.015833 0.001190 0.025950 -0.016515 0.004581 28O 3s -0.003582 0.026027 0.012103 0.033080 -0.054801 -0.001446 28O 4s -0.408448 -0.555120 -0.095697 -0.820113 0.707679 -0.105065 28O 5s 1.982860 2.182962 0.218268 2.669401 -1.828314 0.347796 28O 1pz -0.033418 -0.006884 -0.001367 -0.012992 0.011154 0.028382 28O 1px 0.004226 -0.008110 0.009022 0.035389 0.017452 -0.010544 28O 1py -0.024672 -0.004144 -0.001966 -0.015622 0.006416 -0.012757 28O 2pz -0.071975 -0.043320 -0.018508 -0.118940 0.135190 0.089569 28O 2px 0.058880 0.008550 0.015770 0.098852 0.000700 -0.001979 28O 2py -0.058000 0.033311 0.004474 -0.062464 0.057432 -0.027942 28O 3pz -0.670657 -0.396203 0.050182 0.437850 -0.802986 -0.285662 28O 3px 0.685197 0.711657 -0.229853 0.562200 -0.381859 0.005111 28O 3py 0.312534 -0.320901 0.507362 0.252416 -0.448759 -0.129268 28O 1dz2 -0.003224 -0.002405 -0.003855 -0.000027 -0.001024 0.000526 28O 1dxz 0.004839 0.004575 -0.000889 0.002998 -0.000244 0.000553 28O 1dyz -0.000625 -0.004507 0.004874 -0.005421 -0.000187 -0.003488 28O 1dx2y2 -0.003852 -0.001432 -0.000022 -0.003156 0.000693 0.000941 28O 1dxy -0.002551 0.001630 -0.004186 0.000904 -0.000082 0.003300 28O 2dz2 -0.018641 0.004416 -0.045447 0.028357 0.014554 0.012905 28O 2dxz -0.030221 -0.003923 -0.014148 -0.041055 -0.000573 0.018163 28O 2dyz 0.025352 -0.006260 0.043658 0.002079 0.028118 0.002236 28O 2dx2y2 -0.000309 0.006677 -0.023690 0.008785 -0.010147 0.000003 28O 2dxy -0.004453 0.004784 0.008370 -0.015167 -0.015191 0.012134 28O 1f0 0.002185 -0.000924 -0.000945 0.003304 -0.001148 0.001105 28O 1f+1 -0.001274 0.002315 -0.001513 0.000007 -0.000696 0.000646 28O 1f-1 -0.000523 0.001795 -0.001647 0.003487 0.003016 0.000112 28O 1f+2 -0.003807 -0.001830 -0.001408 -0.004337 0.001909 0.000831 28O 1f-2 -0.000567 -0.000157 -0.001561 -0.000150 0.000582 0.002281 28O 1f+3 -0.001737 -0.001196 0.001245 -0.002592 0.002793 0.000867 28O 1f-3 -0.000793 0.000483 -0.001631 0.000200 0.000891 0.001987 29O 1s 0.002398 -0.005273 0.002228 -0.002814 -0.004517 -0.003800 29O 2s 0.006611 -0.011875 0.003936 -0.008118 -0.006064 -0.008963 29O 3s -0.022092 -0.001406 0.018934 0.032137 -0.072923 0.006442 29O 4s 0.016113 0.244626 -0.210344 -0.054882 0.606719 0.136579 29O 5s -0.079601 -0.590282 0.549489 0.152108 -1.521763 -0.345044 29O 1pz -0.002596 0.022206 0.007954 0.021830 -0.002114 0.002658 29O 1px 0.035328 -0.025060 -0.009535 -0.031882 0.018078 -0.015918 29O 1py 0.019870 -0.000948 -0.009381 0.000730 -0.000216 0.011847 29O 2pz -0.016251 0.025310 -0.010090 -0.021334 0.050356 0.025766 29O 2px 0.031079 -0.057156 0.033450 -0.016613 -0.116211 -0.017459 29O 2py -0.007292 0.002656 -0.004019 0.023494 0.030602 0.012397 29O 3pz 0.014619 0.055842 0.202682 -0.030664 -0.203993 -0.044698 29O 3px -0.164336 0.323872 -0.107115 -0.024099 0.567519 0.145701 29O 3py 0.111250 0.045899 -0.081210 -0.130436 0.112534 -0.024537 29O 1dz2 0.000744 0.001152 -0.002146 -0.001078 0.001170 0.000151 29O 1dxz 0.000085 0.001353 -0.000410 -0.000906 0.000901 0.000770 29O 1dyz -0.000671 0.000364 0.001633 0.000388 -0.000273 0.000092 29O 1dx2y2 0.001300 -0.000332 -0.000536 -0.001664 0.003216 -0.000293 29O 1dxy 0.000477 0.000120 0.000531 -0.000353 -0.000591 0.000330 29O 2dz2 0.027920 -0.029567 -0.049546 0.000390 0.017992 -0.013397 29O 2dxz -0.007172 0.059665 0.038047 -0.042901 -0.061132 0.045395 29O 2dyz -0.032600 0.010296 0.042739 0.030340 -0.022793 0.004611 29O 2dx2y2 0.022975 0.007209 -0.015847 -0.075383 0.103173 -0.002836 29O 2dxy 0.054532 0.000937 -0.062145 -0.065791 0.006746 0.010140 29O 1f0 -0.000038 0.000559 -0.000858 -0.000385 0.002128 0.000790 29O 1f+1 -0.000214 0.001241 0.001172 -0.001109 -0.002105 0.000629 29O 1f-1 -0.000007 0.001428 -0.000520 -0.001797 0.000313 0.001422 29O 1f+2 0.000421 -0.001215 -0.000334 0.001090 -0.000881 -0.001471 29O 1f-2 0.000978 -0.001536 -0.001668 0.001706 0.002089 -0.000905 29O 1f+3 -0.000576 0.000356 0.001229 -0.001393 -0.001235 0.000128 29O 1f-3 0.000846 0.000007 -0.000841 -0.001626 0.000497 0.000662 30O 1s -0.007565 0.008511 -0.000469 -0.007952 -0.013035 -0.002734 30O 2s -0.015117 0.018753 0.000644 -0.017523 -0.025343 -0.007097 30O 3s -0.034805 0.008357 -0.030557 -0.010205 -0.080703 0.018411 30O 4s 0.599190 -0.508967 0.166946 0.412225 0.996974 0.092518 30O 5s -2.540665 1.973399 -0.642394 -0.715341 -2.286875 -0.801732 30O 1pz 0.005554 0.003629 -0.036612 0.048531 -0.008420 -0.031905 30O 1px -0.002110 -0.015464 -0.019686 -0.012434 0.030944 -0.003130 30O 1py -0.009932 -0.004961 0.022448 -0.055051 0.010064 -0.025140 30O 2pz 0.027046 -0.051835 -0.093645 0.098349 0.058700 -0.103441 30O 2px -0.040422 0.018272 -0.006033 0.020552 0.096866 -0.069978 30O 2py -0.057601 -0.030443 0.074958 -0.108438 -0.064851 -0.006584 30O 3pz 0.632069 -0.053024 0.687303 -0.497184 -0.112551 0.425878 30O 3px -0.653210 0.563527 -0.252606 -0.221960 -0.665658 -0.333208 30O 3py -0.251937 0.667216 -0.913861 0.504464 0.511802 -0.604521 30O 1dz2 0.001885 0.002010 -0.001047 -0.001779 0.003563 -0.005925 30O 1dxz -0.004589 0.002059 -0.001603 -0.001054 -0.002951 0.000689 30O 1dyz -0.008209 0.004166 -0.002152 -0.000232 -0.000230 0.001303 30O 1dx2y2 -0.000377 0.001079 0.000950 0.002622 0.003037 0.000513 30O 1dxy 0.001845 -0.003347 0.004062 -0.000937 0.001621 0.005471 30O 2dz2 -0.001589 0.006241 0.000252 -0.038646 0.014236 0.029651 30O 2dxz -0.000766 -0.002381 0.031504 -0.034392 0.012834 0.049407 30O 2dyz -0.013643 -0.020128 -0.053579 0.025069 -0.070265 0.017656 30O 2dx2y2 0.006921 0.009700 0.016593 -0.013019 -0.006050 -0.001515 30O 2dxy -0.015519 -0.004170 -0.020640 -0.002617 -0.011814 0.005867 30O 1f0 0.000418 -0.000375 0.000454 0.001012 -0.003321 -0.003104 30O 1f+1 -0.000263 0.001115 0.001173 0.000114 -0.000255 0.003022 30O 1f-1 0.000192 0.000596 0.001144 0.001071 -0.002255 0.002322 30O 1f+2 0.001439 -0.001287 0.000416 0.001090 -0.001199 0.001964 30O 1f-2 0.000573 -0.002167 -0.001145 -0.000673 0.000503 0.002866 30O 1f+3 -0.001774 -0.000871 -0.002063 0.003720 -0.000147 -0.001358 30O 1f-3 0.000225 -0.002366 -0.000158 -0.000527 -0.000141 0.003282 31O 1s 0.007638 -0.008528 -0.000919 0.007550 -0.013281 0.002356 31O 2s 0.015181 -0.018781 -0.000332 0.016902 -0.025955 0.006317 31O 3s 0.036902 -0.008542 -0.031238 0.004757 -0.079644 -0.019998 31O 4s -0.608095 0.510680 0.189993 -0.368524 1.003832 -0.064739 31O 5s 2.545559 -1.978891 -0.676791 0.609629 -2.312046 0.732579 31O 1pz 0.003354 0.003685 0.032346 0.052086 0.007138 -0.033244 31O 1px -0.001538 -0.015754 0.020814 -0.012333 -0.030211 -0.004189 31O 1py -0.008575 -0.004548 -0.019605 -0.057220 -0.007691 -0.023609 31O 2pz 0.019358 -0.050964 0.083176 0.105437 -0.059940 -0.108503 31O 2px -0.035962 0.017636 0.004494 0.016507 -0.094898 -0.069515 31O 2py -0.052017 -0.029801 -0.066802 -0.112439 0.067781 0.000516 31O 3pz 0.666344 -0.052600 -0.638446 -0.553995 0.115591 0.462036 31O 3px -0.659939 0.568098 0.269793 -0.186496 0.676274 -0.321055 31O 3py -0.295433 0.671819 0.865046 0.554962 -0.507257 -0.664894 31O 1dz2 -0.001828 -0.002078 -0.001170 0.001880 0.003380 0.005936 31O 1dxz 0.004715 -0.002029 -0.001683 0.000803 -0.002991 -0.000653 31O 1dyz 0.007951 -0.004118 -0.002134 0.000152 -0.000181 -0.001265 31O 1dx2y2 0.000346 -0.001104 0.001157 -0.002442 0.003126 -0.000461 31O 1dxy -0.002152 0.003422 0.003907 0.001300 0.001718 -0.005549 31O 2dz2 0.001935 -0.006678 -0.003043 0.039274 0.012781 -0.028831 31O 2dxz 0.002110 0.002063 0.029048 0.036368 0.012330 -0.050528 31O 2dyz 0.014844 0.020369 -0.051976 -0.031679 -0.067885 -0.016369 31O 2dx2y2 -0.006231 -0.010263 0.016169 0.013923 -0.007440 0.000141 31O 2dxy 0.015195 0.004328 -0.021550 0.000862 -0.012023 -0.004822 31O 1f0 0.000495 -0.000349 -0.000561 0.001118 0.003339 -0.002970 31O 1f+1 -0.000198 0.001089 -0.001133 0.000025 0.000217 0.002991 31O 1f-1 0.000207 0.000561 -0.001179 0.001066 0.002171 0.002350 31O 1f+2 0.001239 -0.001247 -0.000519 0.001134 0.001141 0.001952 31O 1f-2 0.000470 -0.002195 0.001201 -0.000558 -0.000563 0.002787 31O 1f+3 -0.001794 -0.000874 0.001728 0.003834 0.000025 -0.001478 31O 1f-3 0.000082 -0.002365 0.000195 -0.000487 0.000090 0.003239 32O 1s -0.002358 0.005250 0.001913 0.002778 -0.004806 0.003523 32O 2s -0.006527 0.011811 0.003157 0.008099 -0.006752 0.008543 32O 3s 0.022183 0.001673 0.020157 -0.033138 -0.072360 -0.010083 32O 4s -0.018482 -0.244702 -0.203381 0.061966 0.616384 -0.103343 32O 5s 0.084892 0.589077 0.535016 -0.169653 -1.545107 0.259499 32O 1pz -0.002907 0.022035 -0.009676 0.021313 0.001237 0.003108 32O 1px 0.035124 -0.025763 0.012779 -0.031944 -0.016551 -0.016894 32O 1py 0.019637 -0.001507 0.009882 0.001606 -0.000496 0.011071 32O 2pz -0.016739 0.025080 0.010573 -0.022487 -0.049069 0.023275 32O 2px 0.030247 -0.057466 -0.029417 -0.013896 0.118584 -0.011540 32O 2py -0.006987 0.001925 0.002154 0.020571 -0.031924 0.011769 32O 3pz 0.021742 0.052718 -0.194464 -0.036426 0.207871 -0.031588 32O 3px -0.160319 0.319434 0.097592 -0.039290 -0.575247 0.117080 32O 3py 0.105979 0.052432 0.085557 -0.124494 -0.108319 -0.034957 32O 1dz2 -0.000826 -0.001117 -0.002266 0.000938 0.001200 0.000067 32O 1dxz -0.000062 -0.001338 -0.000484 0.000834 0.000913 -0.000709 32O 1dyz 0.000495 -0.000398 0.001567 -0.000125 -0.000163 -0.000157 32O 1dx2y2 -0.001339 0.000372 -0.000669 0.001728 0.003182 0.000449 32O 1dxy -0.000463 -0.000084 0.000433 0.000422 -0.000549 -0.000345 32O 2dz2 -0.025969 0.029069 -0.050455 -0.002718 0.019549 0.015240 32O 2dxz 0.005362 -0.058905 0.034729 0.042288 -0.061799 -0.046914 32O 2dyz 0.028976 -0.010650 0.043453 -0.024787 -0.020168 -0.006787 32O 2dx2y2 -0.024376 -0.006434 -0.020722 0.078031 0.101141 0.008298 32O 2dxy -0.054191 -0.000020 -0.068542 0.062898 0.005742 -0.006688 32O 1f0 -0.000023 0.000453 0.000858 -0.000364 -0.002091 0.000603 32O 1f+1 -0.000156 0.001269 -0.001127 -0.001127 0.002266 0.000698 32O 1f-1 0.000050 0.001370 0.000776 -0.001738 -0.000361 0.001299 32O 1f+2 0.000330 -0.001192 0.000207 0.001209 0.000867 -0.001425 32O 1f-2 0.000923 -0.001595 0.001516 0.001717 -0.002088 -0.001026 32O 1f+3 -0.000528 0.000360 -0.001127 -0.001333 0.001259 0.000165 32O 1f-3 0.000898 0.000012 0.000995 -0.001643 -0.000498 0.000645 33O 1s -0.007276 -0.007739 0.001423 -0.012641 -0.008159 -0.002376 33O 2s -0.016299 -0.016079 0.002465 -0.026583 -0.015617 -0.005483 33O 3s 0.001616 -0.026151 0.015998 -0.033289 -0.053706 -0.002811 33O 4s 0.416738 0.561245 -0.144970 0.838105 0.676971 0.150654 33O 5s -1.970612 -2.207491 0.323743 -2.738854 -1.721789 -0.470097 33O 1pz -0.031146 -0.005980 0.002981 -0.015288 -0.012140 0.028200 33O 1px 0.001548 -0.007926 -0.011422 0.035157 -0.018189 -0.009698 33O 1py -0.024001 -0.003690 0.002223 -0.016043 -0.005045 -0.012838 33O 2pz -0.064764 -0.043517 0.029359 -0.127576 -0.134334 0.084352 33O 2px 0.049754 0.009505 -0.017752 0.101971 -0.004323 -0.000322 33O 2py -0.056969 0.033620 -0.000913 -0.064929 -0.053469 -0.031131 33O 3pz -0.715736 -0.405772 -0.133486 0.489319 0.796229 -0.261291 33O 3px 0.688729 0.722374 0.225616 0.588392 0.357713 0.021592 33O 3py 0.306222 -0.326593 -0.530282 0.241704 0.442977 -0.091153 33O 1dz2 0.003287 0.002409 -0.003883 -0.000269 -0.000942 -0.000525 33O 1dxz -0.005013 -0.004640 -0.000917 -0.002984 -0.000153 -0.000619 33O 1dyz 0.000212 0.004536 0.004527 0.005799 -0.000519 0.003358 33O 1dx2y2 0.003820 0.001494 -0.000067 0.003170 0.000618 -0.000885 33O 1dxy 0.002452 -0.001645 -0.004196 -0.001120 0.000088 -0.003177 33O 2dz2 0.020817 -0.004042 -0.042992 -0.031652 0.015350 -0.010733 33O 2dxz 0.029312 0.004711 -0.013782 0.040385 -0.002924 -0.017629 33O 2dyz -0.023609 0.006989 0.041079 0.000071 0.028935 -0.001544 33O 2dx2y2 0.001417 -0.006594 -0.024138 -0.011720 -0.009524 -0.000261 33O 2dxy 0.004571 -0.004103 0.006884 0.014585 -0.014964 -0.012211 33O 1f0 0.002015 -0.000890 0.000965 0.003445 0.000910 0.001123 33O 1f+1 -0.001143 0.002301 0.001493 0.000091 0.000660 0.000557 33O 1f-1 -0.000669 0.001780 0.001379 0.003519 -0.003103 -0.000031 33O 1f+2 -0.003678 -0.001875 0.001409 -0.004364 -0.001658 0.000769 33O 1f-2 -0.000518 -0.000143 0.001618 -0.000089 -0.000662 0.002240 33O 1f+3 -0.001539 -0.001211 -0.001227 -0.002873 -0.002641 0.000793 33O 1f-3 -0.000759 0.000515 0.001639 0.000237 -0.000964 0.001891 34O 1s -0.004248 -0.003444 0.006961 0.000939 -0.006699 0.009288 34O 2s -0.008654 -0.009314 0.013639 0.003535 -0.012215 0.018996 34O 3s -0.020938 0.031535 0.042441 -0.026480 -0.056065 0.037950 34O 4s 0.272177 0.076009 -0.531612 0.049462 0.637708 -0.696668 34O 5s -0.059720 -0.964987 1.175763 0.005994 -1.802097 2.299004 34O 1pz -0.001920 -0.048962 -0.009156 -0.002915 0.007862 0.026218 34O 1px -0.008298 -0.016029 -0.012854 -0.042938 -0.029022 0.030923 34O 1py -0.028879 0.008993 0.043138 0.047523 0.040833 -0.009547 34O 2pz -0.056319 -0.077196 0.038049 0.001028 0.013767 0.052714 34O 2px -0.014273 -0.058102 -0.046020 -0.023010 -0.125082 0.083460 34O 2py -0.011129 -0.019348 0.030300 0.123671 0.157755 -0.023454 34O 3pz 0.293881 0.246788 -0.284359 0.035947 0.540204 -0.115423 34O 3px 0.730514 -0.828477 0.446090 0.043982 0.282630 0.515374 34O 3py -0.431645 0.311176 -0.132122 -0.274848 -0.972790 0.303691 34O 1dz2 0.000557 -0.003419 0.001974 -0.001147 -0.000009 0.002372 34O 1dxz 0.002354 0.000359 0.002113 -0.004633 -0.005335 -0.004541 34O 1dyz -0.001954 -0.000760 0.000193 0.000759 0.000446 0.004567 34O 1dx2y2 -0.001791 0.003644 -0.002023 -0.000666 -0.001168 -0.005444 34O 1dxy 0.000828 0.000096 -0.000030 -0.001786 -0.000696 0.000578 34O 2dz2 -0.007316 -0.011563 0.025532 0.005951 0.006554 -0.028853 34O 2dxz -0.004704 -0.004406 0.018567 -0.006588 0.004948 -0.019848 34O 2dyz -0.019706 0.028388 0.049159 -0.036045 0.024759 0.022254 34O 2dx2y2 0.012552 -0.039011 0.023128 0.042015 -0.011696 -0.011427 34O 2dxy 0.016764 0.024315 0.010499 -0.031002 -0.020265 -0.017100 34O 1f0 0.000622 0.000573 -0.001009 -0.001026 -0.001706 0.002191 34O 1f+1 -0.001103 0.001769 0.001033 -0.002859 0.002193 -0.001688 34O 1f-1 -0.000181 -0.001076 -0.000027 0.001214 -0.000423 -0.001694 34O 1f+2 -0.002855 0.000728 -0.000400 0.001606 0.004174 0.000384 34O 1f-2 -0.000934 0.000971 -0.000711 0.000630 0.001610 0.001286 34O 1f+3 0.000910 0.004163 0.000169 -0.005323 0.000722 -0.002572 34O 1f-3 0.000215 0.001573 -0.001430 0.002045 0.001082 -0.000203 35O 1s -0.002084 -0.002034 0.002687 0.003208 -0.010688 -0.004664 35O 2s -0.005663 -0.004915 0.005441 0.003792 -0.020658 -0.010512 35O 3s 0.023201 0.009365 0.015013 0.069430 -0.068395 -0.003581 35O 4s 0.067760 0.105674 -0.152064 -0.485872 0.898958 0.231261 35O 5s -0.975434 -1.295232 -0.142389 1.476862 -2.415646 -0.653729 35O 1pz 0.019731 -0.042532 -0.027948 -0.012593 -0.012023 -0.036359 35O 1px 0.043318 -0.020792 -0.051665 0.018012 -0.001772 -0.027367 35O 1py -0.006426 0.003532 0.028301 0.028626 -0.005717 -0.014804 35O 2pz 0.086388 -0.017496 -0.047393 0.012011 -0.106513 -0.058839 35O 2px 0.017942 -0.065080 -0.145228 -0.005653 -0.051553 -0.028109 35O 2py -0.055955 0.031075 0.103718 0.087901 -0.094632 0.008186 35O 3pz -0.370991 -0.259549 -0.091862 -0.086285 0.921131 -0.007904 35O 3px -0.854976 -0.954683 0.032601 0.189985 -0.276105 -0.353053 35O 3py -0.297228 -0.656421 -0.069821 0.003099 0.594716 0.038667 35O 1dz2 -0.002280 -0.004190 0.001464 0.001980 -0.001003 0.000214 35O 1dxz -0.000693 -0.000012 0.004245 -0.000324 -0.001464 0.002514 35O 1dyz 0.000703 0.000736 0.003941 -0.003662 0.001135 0.000147 35O 1dx2y2 -0.001095 0.004344 0.005900 0.002567 0.002495 0.007040 35O 1dxy 0.005446 0.002418 -0.004528 -0.007584 0.000688 -0.001206 35O 2dz2 0.029360 -0.022101 0.005544 0.005860 -0.001992 -0.008159 35O 2dxz -0.002505 0.001093 0.008320 0.012833 0.005626 0.014061 35O 2dyz -0.028846 0.005426 -0.015503 -0.031293 0.035484 -0.000173 35O 2dx2y2 -0.033826 -0.021551 0.008361 -0.039857 -0.009633 0.033126 35O 2dxy -0.020136 -0.018172 -0.026329 -0.067641 -0.007273 0.001291 35O 1f0 -0.001425 0.000576 -0.001193 0.000602 -0.000317 -0.001895 35O 1f+1 0.004307 0.000403 -0.000275 0.004981 0.000964 -0.001864 35O 1f-1 0.001747 -0.001032 0.000180 0.000774 -0.001089 -0.001053 35O 1f+2 0.000863 0.001470 -0.002036 -0.000023 0.001926 0.000538 35O 1f-2 0.000453 0.000883 0.001256 -0.000759 -0.000274 0.000308 35O 1f+3 0.000200 0.003269 0.003440 0.005170 0.002316 0.000472 35O 1f-3 0.004567 0.000596 -0.000167 0.005700 0.002415 -0.002825 276 277 278 279 280 281 1.04065 1.04442 1.06378 1.06893 1.07749 1.08331 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s 0.001027 -0.002586 -0.000408 0.000770 0.000071 -0.000519 0Rh 2s -0.003417 0.006634 0.002369 -0.003106 -0.000065 0.001670 0Rh 3s 0.003901 -0.011023 -0.000929 0.002585 0.000376 -0.002006 0Rh 4s 0.015540 -0.028830 -0.011269 0.014353 0.000204 -0.007500 0Rh 5s -0.007744 -0.012326 0.016682 -0.012668 0.001956 0.001997 0Rh 6s -0.061247 0.238779 -0.003174 -0.034424 -0.010360 0.039496 0Rh 7s 0.051262 -1.193755 -0.086884 0.158521 0.042414 -0.149137 0Rh 8s -0.211204 -0.031716 0.504820 0.312828 0.093406 -0.181239 0Rh 1pz 0.010476 0.008136 -0.004676 -0.001746 -0.004876 0.008890 0Rh 1px 0.006350 0.000253 -0.005895 0.001365 -0.001548 0.004065 0Rh 1py -0.009491 0.014008 -0.011438 0.009876 -0.003772 -0.010048 0Rh 2pz -0.035591 -0.027350 0.015904 0.005657 0.016514 -0.030572 0Rh 2px -0.021490 -0.000956 0.020164 -0.004633 0.005302 -0.014077 0Rh 2py 0.032335 -0.046969 0.038987 -0.033541 0.012869 0.034405 0Rh 3pz 0.014178 0.004796 -0.006277 0.003595 -0.005162 0.019313 0Rh 3px 0.006286 0.003088 -0.010756 0.001615 -0.002948 0.010972 0Rh 3py -0.014635 0.005651 -0.017577 0.012838 -0.005983 -0.018678 0Rh 4pz 0.134219 0.127819 -0.062496 -0.046525 -0.069475 0.085185 0Rh 4px 0.094471 -0.013350 -0.064604 0.019500 -0.016617 0.029912 0Rh 4py -0.115854 0.230519 -0.141082 0.126862 -0.045925 -0.108229 0Rh 5pz -0.169966 -0.171131 0.099347 0.094601 0.104544 -0.033410 0Rh 5px -0.165789 0.074647 0.066082 -0.037748 0.017534 0.013217 0Rh 5py 0.150978 -0.326265 0.186306 -0.115042 0.057594 0.062056 0Rh 6pz 0.072152 0.506062 -0.523549 -0.799917 -0.444011 -1.786164 0Rh 6px 1.306045 -1.085132 0.202929 0.260238 0.010597 -1.178741 0Rh 6py -0.276577 1.028530 -0.292912 -1.227306 0.126091 2.014471 0Rh 1dz2 0.024903 0.002299 -0.030076 -0.014769 0.022023 -0.031023 0Rh 1dxz 0.008102 0.040373 -0.012861 0.007150 0.008207 0.048320 0Rh 1dyz -0.009097 0.015085 0.002595 -0.011976 -0.029051 0.029108 0Rh 1dx2y2 -0.003565 -0.016141 -0.010066 0.002717 0.012816 0.034402 0Rh 1dxy -0.001081 -0.000216 -0.001745 0.042883 0.000561 -0.048757 0Rh 2dz2 -0.003760 0.001233 0.005016 0.003074 -0.005598 0.007995 0Rh 2dxz -0.003660 -0.008624 0.004063 -0.002859 -0.000606 -0.012109 0Rh 2dyz 0.002097 -0.003228 -0.002775 0.002836 0.004963 -0.007049 0Rh 2dx2y2 -0.000419 0.001585 0.000646 0.000810 -0.002665 -0.009116 0Rh 2dxy 0.002215 -0.000412 0.001196 -0.010489 -0.000153 0.012578 0Rh 3dz2 -0.036427 -0.009966 0.042560 0.018270 -0.023104 0.032042 0Rh 3dxz -0.001690 -0.048843 0.010067 -0.003178 -0.014819 -0.051616 0Rh 3dyz 0.010080 -0.018116 0.006629 0.013410 0.041084 -0.032240 0Rh 3dx2y2 0.008680 0.027281 0.018880 -0.009067 -0.015918 -0.034573 0Rh 3dxy -0.007077 0.002253 -0.000829 -0.046679 -0.000378 0.050553 0Rh 4dz2 -0.078660 0.016516 0.095781 0.056092 -0.100572 0.141002 0Rh 4dxz -0.057438 -0.153542 0.068985 -0.045690 -0.017697 -0.211937 0Rh 4dyz 0.042782 -0.057659 -0.051474 0.050369 0.086313 -0.121918 0Rh 4dx2y2 0.006627 0.032731 0.014504 0.008510 -0.050431 -0.158202 0Rh 4dxy 0.031683 -0.008596 0.008296 -0.184538 -0.007164 0.219723 0Rh 5dz2 0.185995 -0.143365 -0.137557 -0.135501 0.361684 -0.426599 0Rh 5dxz 0.210182 0.297230 -0.222209 0.153360 0.031143 0.587304 0Rh 5dyz -0.201236 0.114773 0.424461 -0.135286 0.001697 0.298874 0Rh 5dx2y2 -0.101071 0.089375 0.046698 -0.065820 0.153457 0.466467 0Rh 5dxy -0.162635 0.088658 0.092735 0.505982 0.100994 -0.638583 0Rh 1f0 -0.016423 -0.011573 0.004786 -0.002756 0.009547 -0.017969 0Rh 1f+1 -0.011014 -0.025135 0.006052 -0.000713 0.005783 -0.025881 0Rh 1f-1 0.000062 -0.006291 0.012247 0.006580 0.007156 0.000256 0Rh 1f+2 0.017043 -0.003721 -0.014406 0.011581 -0.004502 -0.001378 0Rh 1f-2 0.020315 -0.007967 0.001302 -0.002946 -0.007649 0.018070 0Rh 1f+3 -0.006437 -0.002805 -0.005743 0.016000 0.002669 -0.019767 0Rh 1f-3 0.020366 -0.016590 0.023163 -0.019787 0.010734 0.016564 1Rh 1s -0.001017 -0.002613 0.000270 0.000785 -0.000138 -0.000511 1Rh 2s 0.003403 0.006748 -0.001919 -0.003197 0.000307 0.001629 1Rh 3s -0.003847 -0.011110 0.000400 0.002620 -0.000616 -0.001983 1Rh 4s -0.015490 -0.029358 0.009236 0.014784 -0.001308 -0.007307 1Rh 5s 0.008014 -0.011807 -0.015919 -0.013312 -0.001251 0.001762 1Rh 6s 0.059657 0.239822 0.012634 -0.034276 0.014184 0.039299 1Rh 7s -0.043716 -1.197318 0.036183 0.162392 -0.063445 -0.145171 1Rh 8s 0.207751 -0.025464 -0.514154 0.291709 -0.085868 -0.198093 1Rh 1pz 0.010179 -0.008195 -0.004947 0.001630 -0.004863 -0.008893 1Rh 1px 0.006315 -0.000205 -0.005774 -0.001554 -0.001474 -0.004085 1Rh 1py -0.009669 -0.013519 -0.011573 -0.010351 -0.003756 0.009923 1Rh 2pz -0.034597 0.027550 0.016787 -0.005273 0.016482 0.030580 1Rh 2px -0.021370 0.000795 0.019754 0.005279 0.005054 0.014147 1Rh 2py 0.032940 0.045299 0.039415 0.035155 0.012828 -0.033981 1Rh 3pz 0.014080 -0.004840 -0.005823 -0.003559 -0.005377 -0.019273 1Rh 3px 0.006248 -0.003092 -0.010687 -0.001942 -0.002901 -0.011056 1Rh 3py -0.014813 -0.004850 -0.017148 -0.013490 -0.006252 0.018522 1Rh 4pz 0.129281 -0.128673 -0.069237 0.044204 -0.068457 -0.085374 1Rh 4px 0.093926 0.014305 -0.062463 -0.021647 -0.015400 -0.029965 1Rh 4py -0.118418 -0.224662 -0.145252 -0.133002 -0.044540 0.106523 1Rh 5pz -0.162845 0.172079 0.111939 -0.090169 0.102663 0.033637 1Rh 5px -0.164641 -0.076725 0.061392 0.040027 0.015413 -0.013294 1Rh 5py 0.154443 0.318425 0.195165 0.123230 0.054184 -0.059561 1Rh 6pz 0.039519 -0.510038 -0.613351 0.763311 -0.436278 1.788121 1Rh 6px 1.289756 1.107517 0.238641 -0.257245 0.022495 1.181447 1Rh 6py -0.282475 -1.010680 -0.389546 1.218723 0.153794 -2.022138 1Rh 1dz2 -0.025212 0.001023 0.031466 -0.013349 -0.021823 -0.030774 1Rh 1dxz -0.007700 0.040243 0.012395 0.007683 -0.007832 0.048360 1Rh 1dyz 0.009530 0.014734 -0.001751 -0.012168 0.028686 0.029296 1Rh 1dx2y2 0.004111 -0.016287 0.008903 0.003203 -0.013372 0.034287 1Rh 1dxy 0.001330 -0.000027 0.000153 0.042940 0.000510 -0.048661 1Rh 2dz2 0.003876 0.001493 -0.005295 0.002815 0.005569 0.007938 1Rh 2dxz 0.003549 -0.008637 -0.003868 -0.003004 0.000535 -0.012121 1Rh 2dyz -0.002115 -0.003215 0.002627 0.002957 -0.004875 -0.007068 1Rh 2dx2y2 0.000328 0.001543 -0.000504 0.000767 0.002770 -0.009069 1Rh 2dxy -0.002218 -0.000423 -0.000798 -0.010531 -0.000132 0.012553 1Rh 3dz2 0.036585 -0.008370 -0.044317 0.016350 0.022804 0.031752 1Rh 3dxz 0.001308 -0.048523 -0.009895 -0.003693 0.014322 -0.051645 1Rh 3dyz -0.010924 -0.017419 -0.007788 0.013292 -0.040678 -0.032556 1Rh 3dx2y2 -0.009447 0.027770 -0.017024 -0.009923 0.016650 -0.034529 1Rh 3dxy 0.006562 0.001917 0.002527 -0.046641 -0.000697 0.050450 1Rh 4dz2 0.080574 0.021224 -0.100857 0.051273 0.099989 0.139987 1Rh 4dxz 0.055478 -0.153363 -0.065805 -0.048266 0.016394 -0.212202 1Rh 4dyz -0.043219 -0.057479 0.048645 0.052617 -0.084745 -0.122289 1Rh 4dx2y2 -0.008302 0.032175 -0.011561 0.007584 0.052372 -0.157373 1Rh 4dxy -0.031880 -0.009261 -0.001432 -0.184797 0.002280 0.219373 1Rh 5dz2 -0.192909 -0.153404 0.147477 -0.127229 -0.361194 -0.424309 1Rh 5dxz -0.203678 0.295081 0.209099 0.161599 -0.028993 0.588714 1Rh 5dyz 0.195464 0.122223 -0.419466 -0.152329 -0.006397 0.297544 1Rh 5dx2y2 0.102331 0.095068 -0.047618 -0.066613 -0.156524 0.462770 1Rh 5dxy 0.159748 0.094272 -0.110408 0.502122 -0.087125 -0.638822 1Rh 1f0 -0.015979 0.011598 0.004467 0.002815 0.009002 0.018042 1Rh 1f+1 -0.010565 0.025386 0.006155 0.000798 0.005815 0.025733 1Rh 1f-1 0.000370 0.005644 0.013072 -0.005938 0.007015 -0.000158 1Rh 1f+2 0.016879 0.004256 -0.013577 -0.012199 -0.004380 0.001254 1Rh 1f-2 0.020091 0.007484 0.001760 0.002910 -0.007531 -0.017989 1Rh 1f+3 -0.006420 0.003318 -0.004990 -0.016162 0.002853 0.019559 1Rh 1f-3 0.020561 0.016070 0.022942 0.020739 0.011350 -0.016357 2C 1s -0.001747 0.003595 0.002499 -0.001651 0.001819 -0.000124 2C 2s -0.002642 0.008948 0.002819 -0.002988 0.002608 -0.000001 2C 3s -0.056841 0.007505 0.117863 -0.030618 0.060599 -0.010103 2C 4s 0.405496 -0.286383 -0.796471 0.240829 -0.446675 0.051650 2C 5s -0.930605 -3.293356 2.312137 0.736984 1.681036 -0.660234 2C 1pz 0.006649 -0.012803 -0.004407 0.011611 -0.045018 -0.021528 2C 1px -0.009261 -0.013084 -0.004045 0.010268 0.013902 0.010367 2C 1py 0.040138 -0.066041 -0.067381 0.028912 0.025954 0.026458 2C 2pz 0.383313 0.040112 -0.396046 -0.052784 -0.581664 -0.072670 2C 2px 0.025345 -0.323202 0.184938 0.025207 0.226514 0.024995 2C 2py 0.086439 -0.318268 -0.673624 0.505941 0.088314 0.233402 2C 3pz -0.213411 -0.635191 0.486649 0.321027 0.064715 -0.252867 2C 3px -0.133141 -0.652475 0.010980 0.268733 0.138687 0.057720 2C 3py 0.146289 -0.677496 -0.110165 -0.030598 0.405217 0.143986 2C 1dz2 0.008039 0.004067 0.005249 -0.004564 0.002065 0.001658 2C 1dxz 0.002654 -0.005687 -0.003503 0.002046 0.000753 0.001092 2C 1dyz -0.007604 -0.000141 0.002706 0.001967 0.004673 -0.000705 2C 1dx2y2 0.005967 -0.005420 0.000785 0.002048 0.004476 0.001111 2C 1dxy 0.001174 0.000621 0.005836 -0.005184 -0.004731 -0.000013 2C 2dz2 -0.201447 -0.127399 -0.363678 0.463822 -0.006696 0.076282 2C 2dxz -0.133201 0.101628 -0.760023 0.416268 -0.124555 0.163114 2C 2dyz 0.389295 -0.225580 -0.239271 -0.013729 -0.063490 0.099123 2C 2dx2y2 -0.396206 -0.374762 -0.058428 0.441661 0.528107 0.185881 2C 2dxy 0.214557 0.352516 0.301947 -0.435487 -0.566702 -0.261771 2C 1f0 -0.020280 -0.022050 -0.023671 0.031309 0.030413 0.015868 2C 1f+1 0.004983 0.002272 0.016253 -0.010918 -0.008532 -0.006756 2C 1f-1 0.012051 0.004221 -0.016452 -0.002428 -0.023019 -0.003558 2C 1f+2 -0.009029 0.010799 -0.008570 0.003517 -0.006774 -0.000514 2C 1f-2 -0.007804 -0.003765 -0.014995 0.012866 0.008569 0.006014 2C 1f+3 -0.003405 -0.010608 -0.028581 0.023675 0.012197 0.013529 2C 1f-3 0.008444 -0.009372 0.014364 -0.004881 0.005564 -0.000565 3C 1s -0.004758 0.000488 -0.001808 -0.001532 0.000274 0.000843 3C 2s -0.006761 0.002840 -0.002452 -0.002568 0.001116 0.001915 3C 3s -0.157220 -0.085650 -0.077915 -0.032810 -0.018791 0.024361 3C 4s 1.071019 0.384352 0.519746 0.243218 0.075430 -0.176580 3C 5s -2.634447 -2.111911 -1.506282 0.835982 0.371343 -0.388194 3C 1pz 0.034842 0.024951 0.048180 0.007566 0.000034 -0.010953 3C 1px -0.041328 0.066228 0.017564 0.023517 -0.044515 -0.024691 3C 1py -0.063276 0.038749 0.002810 -0.011173 -0.034396 0.001987 3C 2pz 0.580586 0.242485 0.283731 0.384183 -0.083979 -0.032554 3C 2px 0.182922 0.491563 -0.011287 0.237264 -0.441496 -0.072791 3C 2py -0.833173 -0.093192 -0.376458 0.007915 -0.254508 0.115264 3C 3pz -0.099315 0.044651 -0.022988 -0.241814 -0.062533 -0.132758 3C 3px -0.728976 0.332484 0.294318 0.273493 -0.226630 -0.196137 3C 3py 0.173162 0.700918 0.414665 -0.405879 -0.345223 0.039678 3C 1dz2 0.004920 0.000009 -0.007268 0.005635 -0.006216 0.001082 3C 1dxz 0.001959 -0.005870 -0.002566 -0.002221 0.006471 0.000056 3C 1dyz 0.004167 0.001320 0.007585 0.001094 0.003645 -0.001534 3C 1dx2y2 0.004144 0.000363 -0.001906 0.001429 -0.000307 0.001698 3C 1dxy 0.004759 -0.005524 -0.001341 -0.003260 0.001183 -0.001386 3C 2dz2 -0.208605 0.202192 0.100476 -0.175111 -0.144876 -0.056774 3C 2dxz 0.392599 -0.513665 0.285383 -0.378665 0.719116 -0.007374 3C 2dyz -0.312621 -0.287653 -0.243224 0.256920 -0.047687 0.127503 3C 2dx2y2 -0.635729 -0.295075 0.025701 -0.546264 0.325365 -0.044470 3C 2dxy -0.272637 -0.262872 -0.283265 -0.276466 0.107968 0.044029 3C 1f0 -0.026640 -0.020970 -0.007666 -0.025839 0.019318 0.001699 3C 1f+1 -0.014627 0.014346 0.000129 -0.004176 -0.011728 -0.002373 3C 1f-1 -0.005015 0.009018 -0.013534 0.019753 -0.023375 0.004120 3C 1f+2 -0.006116 0.002953 -0.007189 0.001015 -0.009718 0.004877 3C 1f-2 0.000668 -0.012403 -0.002019 0.001627 0.008971 0.001561 3C 1f+3 0.018923 -0.013475 0.006818 -0.014179 0.025206 -0.001506 3C 1f-3 -0.000835 -0.019995 -0.000945 -0.006154 0.016592 0.003583 4C 1s -0.002557 -0.003883 0.005963 0.004402 0.003809 0.001311 4C 2s -0.009203 -0.010389 0.020669 0.010464 0.012531 0.003155 4C 3s 0.212099 0.047994 -0.425497 0.032386 -0.256962 -0.000979 4C 4s -1.104716 -0.210494 2.221115 -0.477613 1.288964 -0.132833 4C 5s 0.644897 1.994982 -1.049518 -1.064987 -0.765878 0.187136 4C 1pz 0.069975 -0.000404 -0.091872 -0.027825 -0.094902 -0.018774 4C 1px -0.001265 0.023232 0.049390 0.028890 0.060106 0.019410 4C 1py -0.006817 -0.022554 -0.083032 0.058003 -0.006711 0.014318 4C 2pz 0.319681 -0.228081 -0.251855 0.022185 -0.202993 0.023940 4C 2px -0.015747 0.106590 -0.191593 0.201291 -0.040303 0.158448 4C 2py 0.038028 -0.077060 -0.269020 0.169620 -0.120446 0.068534 4C 3pz -0.333371 -2.527926 1.173652 -0.062344 0.952846 -0.512187 4C 3px 0.161782 0.645345 -0.248581 -0.165854 -0.138492 -0.096768 4C 3py -0.417476 -1.365987 0.722658 0.744293 0.524780 -0.358675 4C 1dz2 0.006732 0.000804 -0.004917 0.000665 0.000706 0.004361 4C 1dxz 0.004491 0.002901 -0.011978 -0.003846 -0.011712 -0.004505 4C 1dyz -0.001777 -0.002422 0.001837 0.002110 -0.000386 0.000002 4C 1dx2y2 -0.004311 -0.002118 0.015659 -0.005125 0.004460 -0.003162 4C 1dxy 0.000378 -0.000841 0.000493 -0.005874 0.002434 0.002349 4C 2dz2 -0.404330 0.033197 -0.050754 0.167715 0.201871 0.074992 4C 2dxz -0.242878 0.039712 0.140344 0.114186 -0.065125 -0.142794 4C 2dyz 0.072118 0.162969 0.415503 -0.311498 -0.022581 -0.192111 4C 2dx2y2 -0.220340 0.069907 -0.041956 0.072135 -0.187379 -0.172066 4C 2dxy -0.018641 -0.009623 -0.262348 0.061420 0.352583 0.367347 4C 1f0 0.013632 0.005887 -0.006820 -0.005575 -0.011188 0.001467 4C 1f+1 0.012748 -0.002829 -0.008466 0.004515 -0.010233 -0.004146 4C 1f-1 0.013692 0.002942 -0.021778 0.001744 -0.018696 -0.003357 4C 1f+2 -0.005096 -0.002456 0.027203 -0.009938 0.011863 -0.005162 4C 1f-2 0.001744 -0.001345 -0.007505 0.007576 0.002183 0.008417 4C 1f+3 0.003636 -0.003364 -0.000462 -0.000486 0.003835 0.005432 4C 1f-3 0.002331 -0.003647 -0.014051 0.000565 -0.006103 -0.001598 5C 1s -0.009662 -0.001320 -0.004494 0.004380 0.004112 -0.000074 5C 2s -0.032377 -0.006718 -0.014580 0.010597 0.010457 0.000435 5C 3s 0.644581 0.163240 0.275397 0.018452 -0.040508 -0.040517 5C 4s -3.205291 -1.007294 -1.287860 -0.446729 -0.105214 0.202480 5C 5s 1.651105 1.162974 0.821788 -1.136621 -0.800861 0.613969 5C 1pz 0.099571 0.013643 0.052699 0.050656 -0.002164 -0.023390 5C 1px 0.056386 0.057688 -0.059317 -0.013345 -0.099843 0.068875 5C 1py -0.131224 0.000067 -0.079113 0.006101 -0.021399 0.021208 5C 2pz 0.358571 0.093053 0.132975 0.179304 -0.007660 -0.180941 5C 2px 0.192867 0.200201 -0.071640 -0.068718 -0.090437 0.431622 5C 2py -0.548693 -0.248877 -0.362561 -0.114591 -0.061794 0.197005 5C 3pz -0.923157 -1.020344 -0.482622 0.900109 0.121284 -0.015094 5C 3px 0.041219 -0.921907 -0.657369 -0.145957 0.189597 0.270842 5C 3py 1.510734 1.286419 0.635627 0.019949 -0.071620 0.208093 5C 1dz2 0.013070 0.001069 -0.000387 0.005289 0.000631 0.005157 5C 1dxz 0.009172 0.005813 0.008186 0.003399 -0.000346 -0.006582 5C 1dyz 0.003655 -0.004595 0.002616 0.000695 0.001635 -0.003346 5C 1dx2y2 -0.017442 -0.010610 -0.004448 0.000303 0.003426 -0.005167 5C 1dxy -0.008654 0.003239 -0.003421 -0.003722 -0.008496 0.009491 5C 2dz2 0.027090 -0.143054 0.213534 -0.168587 0.388506 -0.082272 5C 2dxz -0.385201 0.235672 0.134734 -0.118420 -0.279341 -0.022182 5C 2dyz 0.348850 0.088811 -0.041046 0.268030 -0.059054 0.012768 5C 2dx2y2 0.140609 0.239084 0.237356 -0.133847 -0.008966 -0.035039 5C 2dxy 0.081780 0.247220 0.268675 0.055885 -0.170962 -0.179250 5C 1f0 -0.009006 -0.009732 -0.011748 -0.003316 0.001465 0.009101 5C 1f+1 0.012259 0.002017 0.007669 0.003421 -0.003354 -0.010492 5C 1f-1 -0.007979 0.001078 0.001119 -0.006858 0.000464 0.004688 5C 1f+2 -0.030573 -0.003133 -0.008198 -0.003464 -0.004253 -0.000166 5C 1f-2 -0.032266 -0.014168 -0.007831 -0.001820 0.009396 -0.011933 5C 1f+3 0.029976 0.010477 0.017402 0.005502 -0.000290 -0.005215 5C 1f-3 -0.025633 0.004998 -0.015754 0.000369 -0.009086 0.007186 6C 1s 0.009644 -0.001638 0.004247 0.004530 -0.004253 0.000023 6C 2s 0.032377 -0.007742 0.013912 0.011120 -0.010797 0.000723 6C 3s -0.647916 0.181817 -0.274096 0.005331 0.038976 -0.044405 6C 4s 3.220135 -1.092173 1.292006 -0.379858 0.122569 0.218480 6C 5s -1.656871 1.209991 -0.758126 -1.144786 0.824994 0.597966 6C 1pz 0.098658 -0.018573 0.053971 -0.048692 -0.002491 0.024318 6C 1px 0.055234 -0.055752 -0.060211 0.011366 -0.097888 -0.069822 6C 1py -0.131741 0.003500 -0.078518 -0.009949 -0.021867 -0.022546 6C 2pz 0.357099 -0.100555 0.134293 -0.171706 -0.003340 0.183742 6C 2px 0.189663 -0.208126 -0.073344 0.067042 -0.079767 -0.432433 6C 2py -0.543084 0.263039 -0.357737 0.098773 -0.070325 -0.200764 6C 3pz -0.927999 1.044158 -0.423843 -0.930130 0.131359 0.010005 6C 3px 0.033343 0.948737 -0.625431 0.120749 0.190900 -0.280263 6C 3py 1.539455 -1.332303 0.610416 0.019419 -0.084168 -0.197364 6C 1dz2 -0.013131 0.001323 0.000032 0.005296 -0.000632 0.005112 6C 1dxz -0.009161 0.006339 -0.008106 0.003015 0.000329 -0.006682 6C 1dyz -0.003576 -0.004409 -0.002758 0.000521 -0.001534 -0.003398 6C 1dx2y2 0.017516 -0.010936 0.004218 0.000593 -0.003327 -0.005102 6C 1dxy 0.008774 0.002935 0.003630 -0.003578 0.008285 0.009563 6C 2dz2 -0.030388 -0.146704 -0.212923 -0.176715 -0.386028 -0.083619 6C 2dxz 0.392416 0.238206 -0.123084 -0.121839 0.274543 -0.019175 6C 2dyz -0.352244 0.096215 0.031922 0.265053 0.052139 0.012055 6C 2dx2y2 -0.137715 0.244515 -0.223992 -0.141285 0.007094 -0.036600 6C 2dxy -0.077268 0.260313 -0.260413 0.046276 0.167298 -0.181494 6C 1f0 -0.008828 0.010032 -0.011393 0.002814 0.001386 -0.009229 6C 1f+1 0.012308 -0.002547 0.007753 -0.003033 -0.003312 0.010541 6C 1f-1 -0.007915 -0.000772 0.000821 0.006861 0.000606 -0.004758 6C 1f+2 -0.030630 0.003937 -0.008276 0.003003 -0.004259 -0.000057 6C 1f-2 -0.032407 0.015202 -0.007828 0.001345 0.008969 0.011835 6C 1f+3 0.030268 -0.011194 0.017538 -0.004625 -0.000047 0.005360 6C 1f-3 -0.026074 -0.004246 -0.015993 -0.001179 -0.009030 -0.007389 7C 1s 0.002663 -0.004017 -0.006404 0.004118 -0.004009 0.001293 7C 2s 0.009493 -0.010658 -0.021728 0.009552 -0.013020 0.003093 7C 3s -0.212758 0.046215 0.423995 0.046818 0.255897 0.000271 7C 4s 1.116076 -0.180028 -2.182268 -0.543594 -1.278002 -0.138536 7C 5s -0.671944 2.042196 1.194022 -1.007374 0.812245 0.189424 7C 1pz 0.070473 0.001454 -0.092048 0.025250 -0.093774 0.018496 7C 1px -0.001898 -0.028108 0.050752 -0.026714 0.059190 -0.018129 7C 1py -0.004797 0.023295 -0.079120 -0.061296 -0.006721 -0.014933 7C 2pz 0.327630 0.228253 -0.234268 -0.026450 -0.191454 -0.023057 7C 2px -0.015905 -0.108433 -0.174240 -0.207229 -0.045339 -0.158783 7C 2py 0.042793 0.081196 -0.249709 -0.176881 -0.117390 -0.069437 7C 3pz -0.349813 2.534174 1.256034 0.086134 1.001730 0.517680 7C 3px 0.146326 -0.650338 -0.290310 0.144192 -0.120754 0.081119 7C 3py -0.436211 1.372679 0.806155 -0.720513 0.557283 0.358786 7C 1dz2 -0.006779 0.000868 0.004722 0.000853 -0.000624 0.004329 7C 1dxz -0.004493 0.002503 0.012216 -0.003453 0.011520 -0.004430 7C 1dyz 0.001869 -0.002534 -0.002073 0.002009 0.000346 -0.000016 7C 1dx2y2 0.004548 -0.001938 -0.015384 -0.005565 -0.004570 -0.003192 7C 1dxy -0.000358 -0.000877 -0.000080 -0.005763 -0.002562 0.002409 7C 2dz2 0.403762 0.022438 0.051210 0.174593 -0.197630 0.079181 7C 2dxz 0.249583 0.040616 -0.149336 0.106396 0.068054 -0.144753 7C 2dyz -0.067024 0.172122 -0.389777 -0.325843 0.026972 -0.194922 7C 2dx2y2 0.221958 0.062364 0.033550 0.070175 0.188716 -0.171972 7C 2dxy 0.009835 -0.008348 0.263138 0.079175 -0.343170 0.368671 7C 1f0 0.013308 -0.005872 -0.007143 0.005426 -0.010816 -0.001487 7C 1f+1 0.012354 0.002432 -0.008011 -0.004617 -0.010136 0.004289 7C 1f-1 0.013915 -0.002845 -0.021485 -0.002191 -0.018344 0.003323 7C 1f+2 -0.005128 0.002045 0.026726 0.010930 0.011760 0.005387 7C 1f-2 0.001940 0.001133 -0.006663 -0.007732 0.001944 -0.008304 7C 1f+3 0.003838 0.003121 -0.000382 0.000465 0.003863 -0.005353 7C 1f-3 0.002175 0.003821 -0.014264 -0.001193 -0.005820 0.001473 8C 1s 0.004791 0.000341 0.001927 -0.001429 -0.000162 0.000869 8C 2s 0.006885 0.002589 0.002758 -0.002418 -0.000883 0.001952 8C 3s 0.156364 -0.089388 0.075870 -0.029193 0.019687 0.025386 8C 4s -1.067094 0.413249 -0.516372 0.218168 -0.086503 -0.183793 8C 5s 2.646630 -2.199442 1.427448 0.904412 -0.391076 -0.364839 8C 1pz 0.032398 -0.028998 0.048455 -0.006270 -0.000310 0.011263 8C 1px -0.042672 -0.066335 0.017118 -0.022889 -0.042723 0.023967 8C 1py -0.064991 -0.039472 0.001042 0.010565 -0.035910 -0.002101 8C 2pz 0.569842 -0.276818 0.295369 -0.371560 -0.084598 0.037654 8C 2px 0.178826 -0.495006 -0.014110 -0.238035 -0.429049 0.069766 8C 2py -0.840117 0.105352 -0.371754 -0.028548 -0.264461 -0.120969 8C 3pz -0.113839 -0.047684 -0.032802 0.238321 -0.066620 0.130895 8C 3px -0.741113 -0.335049 0.290293 -0.264940 -0.208481 0.193834 8C 3py 0.166305 -0.723116 0.379915 0.419577 -0.356284 -0.035298 8C 1dz2 -0.004927 0.000017 0.007019 0.005806 0.006109 0.001101 8C 1dxz -0.002044 -0.005943 0.002594 -0.002249 -0.006428 -0.000002 8C 1dyz -0.004019 0.001616 -0.007636 0.000801 -0.003682 -0.001615 8C 1dx2y2 -0.004269 0.000403 0.001880 0.001485 0.000225 0.001677 8C 1dxy -0.004806 -0.005652 0.001369 -0.003289 -0.001201 -0.001368 8C 2dz2 0.214164 0.197666 -0.089250 -0.178020 0.140759 -0.054429 8C 2dxz -0.399247 -0.515093 -0.281702 -0.400086 -0.714675 -0.015156 8C 2dyz 0.318095 -0.283614 0.223805 0.264114 0.056133 0.126835 8C 2dx2y2 0.627509 -0.318035 -0.006773 -0.541464 -0.316966 -0.042630 8C 2dxy 0.267092 -0.287996 0.289653 -0.266029 -0.104937 0.046633 8C 1f0 -0.026227 0.022446 -0.008465 0.025397 0.018811 -0.001818 8C 1f+1 -0.014200 -0.013983 -0.000422 0.003618 -0.011590 0.002117 8C 1f-1 -0.005411 -0.009586 -0.012848 -0.020459 -0.023479 -0.004229 8C 1f+2 -0.006249 -0.002789 -0.007237 -0.001524 -0.009773 -0.005030 8C 1f-2 0.000800 0.012304 -0.001550 -0.001437 0.008832 -0.001450 8C 1f+3 0.019534 0.013547 0.006510 0.014638 0.024969 0.001692 8C 1f-3 -0.000712 0.020221 -0.000550 0.006449 0.016399 -0.003407 9C 1s 0.001727 0.003621 -0.002263 -0.001732 -0.001688 -0.000128 9C 2s 0.002538 0.008961 -0.002367 -0.003111 -0.002327 -0.000002 9C 3s 0.058172 0.009436 -0.113326 -0.034129 -0.059289 -0.010404 9C 4s -0.414041 -0.298268 0.758455 0.267472 0.433343 0.053607 9C 5s 0.991723 -3.308096 -2.462397 0.657111 -1.762242 -0.665761 9C 1pz 0.005142 0.014003 -0.002041 -0.010838 -0.043270 0.021451 9C 1px -0.010502 0.009768 -0.001514 -0.009902 0.012476 -0.008801 9C 1py 0.042006 0.066395 -0.064923 -0.033309 0.026743 -0.027085 9C 2pz 0.379987 -0.036624 -0.383068 0.049050 -0.569144 0.074260 9C 2px 0.026858 0.307553 0.206430 -0.011375 0.218364 -0.017294 9C 2py 0.102124 0.331450 -0.637203 -0.533726 0.092263 -0.238526 9C 3pz -0.231150 0.640868 0.530232 -0.295758 0.088951 0.252246 9C 3px -0.135545 0.646260 0.065936 -0.260726 0.124310 -0.042190 9C 3py 0.148514 0.693558 -0.088714 0.010614 0.421801 -0.144980 9C 1dz2 -0.008021 0.004363 -0.004769 -0.004782 -0.002088 0.001593 9C 1dxz -0.002924 -0.005804 0.003313 0.002199 -0.000623 0.001117 9C 1dyz 0.007635 -0.000166 -0.002741 0.001931 -0.004571 -0.000678 9C 1dx2y2 -0.006072 -0.005164 -0.000805 0.002193 -0.004476 0.001135 9C 1dxy -0.001093 0.000545 -0.005749 -0.005462 0.004582 -0.000028 9C 2dz2 0.195708 -0.139541 0.327528 0.471464 0.004689 0.078502 9C 2dxz 0.123455 0.082975 0.747113 0.447763 0.124354 0.170822 9C 2dyz -0.389440 -0.220634 0.235405 0.003328 0.057583 0.099769 9C 2dx2y2 0.396965 -0.378779 0.041988 0.464488 -0.526741 0.192532 9C 2dxy -0.193093 0.348954 -0.280859 -0.450226 0.548789 -0.263253 9C 1f0 -0.019853 0.022589 -0.022116 -0.033087 0.030181 -0.016295 9C 1f+1 0.004177 -0.002306 0.016125 0.011422 -0.007636 0.006807 9C 1f-1 0.011971 -0.003796 -0.016105 0.002241 -0.022527 0.003537 9C 1f+2 -0.008579 -0.010193 -0.008382 -0.003418 -0.006767 0.000378 9C 1f-2 -0.007362 0.003972 -0.014611 -0.013640 0.008182 -0.006181 9C 1f+3 -0.002905 0.010866 -0.027739 -0.025106 0.012003 -0.013843 9C 1f-3 0.008143 0.008870 0.013866 0.004707 0.005750 0.000485 10H 1s -0.006684 -0.007066 0.014974 0.005048 0.025827 0.004907 10H 2s 0.162831 0.667567 -0.587050 -0.071433 -0.753763 -0.097009 10H 3s 0.094324 0.183119 -0.033051 -0.137451 -0.046450 0.012671 10H 1pz 0.007448 0.027464 -0.052777 0.004746 -0.034719 0.001542 10H 1px -0.007009 -0.044881 0.026159 0.006760 0.043883 0.006406 10H 1py 0.004445 0.018605 0.002348 -0.011865 -0.030643 -0.011433 11H 1s -0.000444 -0.015014 -0.036503 0.014156 0.019475 0.012158 11H 2s 0.442926 0.174935 0.777626 -0.769853 -0.453540 -0.336416 11H 3s -0.131762 0.021273 -0.342251 0.324204 -0.175419 0.045820 11H 1pz 0.039857 0.009380 0.057877 -0.053126 -0.018581 -0.019424 11H 1px 0.029543 0.011899 0.045925 -0.039181 -0.031895 -0.020919 11H 1py -0.007695 0.007686 -0.017760 0.016003 0.007178 0.007853 12H 1s 0.000385 0.020410 0.028994 -0.032595 -0.040026 -0.023456 12H 2s -0.283959 -0.706331 -0.794321 0.930918 0.822480 0.503140 12H 3s 0.271676 0.202871 -0.271330 -0.272901 -0.200601 0.108391 12H 1pz -0.010878 0.012652 0.007118 -0.000306 -0.000724 -0.001898 12H 1px -0.011833 -0.023236 -0.027660 0.026435 0.029587 0.018521 12H 1py -0.038117 -0.044189 -0.050346 0.082620 0.064859 0.039769 13H 1s -0.028977 0.018371 -0.008897 -0.004966 -0.030408 0.005972 13H 2s 0.714615 -0.534195 0.304613 0.030965 0.608193 0.112951 13H 3s 0.347490 0.171642 -0.071401 -0.184045 -0.043352 -0.019129 13H 1pz 0.039755 -0.039933 0.010884 0.005402 0.042217 -0.000313 13H 1px -0.026724 0.019370 -0.012291 -0.005024 -0.018723 -0.005486 13H 1py -0.022513 0.007960 -0.017860 -0.017442 -0.011553 0.003802 14H 1s 0.006683 -0.041299 -0.006253 -0.021627 0.044551 -0.001865 14H 2s 0.102915 0.990103 -0.054948 0.741433 -1.053253 -0.014506 14H 3s -0.031426 0.213071 0.379764 -0.285488 0.057431 -0.027151 14H 1pz 0.003917 0.038018 -0.009838 0.043235 -0.051482 0.010865 14H 1px 0.023461 0.058967 -0.015190 0.051050 -0.076928 0.005266 14H 1py -0.014435 0.007915 0.011773 -0.002847 0.007440 -0.006999 15H 1s -0.003724 0.012892 0.008990 0.010365 -0.015941 -0.004908 15H 2s 0.019163 -0.218640 0.104234 -0.695846 0.459323 -0.077517 15H 3s 0.229048 -0.016103 0.036049 0.348935 0.018859 0.091388 15H 1pz 0.000043 0.016813 -0.001798 0.024147 -0.023078 0.002910 15H 1px 0.015095 -0.014774 0.001587 -0.019263 0.022616 0.005064 15H 1py 0.005076 0.003310 -0.018910 0.055856 -0.027302 0.005414 16H 1s 0.000086 0.009840 0.015275 0.000964 0.013923 0.005530 16H 2s -0.049645 -0.230800 0.103015 0.039371 0.029893 -0.015690 16H 3s -0.051249 -0.004375 -0.084957 -0.125085 -0.001838 -0.061223 16H 1pz -0.037168 -0.005884 -0.027629 0.007972 -0.009086 -0.009981 16H 1px 0.003715 0.041309 -0.052407 -0.001354 -0.025058 -0.027136 16H 1py 0.068899 -0.031078 0.030035 -0.026051 -0.012916 0.003557 17H 1s -0.001154 -0.001589 -0.005556 -0.000917 -0.011275 -0.005195 17H 2s 0.088543 -0.120578 0.050951 0.025873 -0.042273 -0.030187 17H 3s -0.067042 0.199777 -0.100633 -0.080925 -0.033478 0.255071 17H 1pz 0.060958 -0.037002 0.050669 -0.017546 0.010338 -0.034703 17H 1px -0.078216 -0.015732 -0.005135 0.006586 0.007869 0.037014 17H 1py -0.010483 -0.058117 0.059477 -0.014806 0.033148 0.020514 18H 1s 0.001320 -0.002355 0.005070 -0.000775 0.011057 -0.004718 18H 2s -0.082894 -0.118998 -0.056881 0.024650 0.036894 -0.031751 18H 3s 0.070004 0.202171 0.106492 -0.073111 0.027780 0.256446 18H 1pz 0.061487 0.033182 0.048578 0.019608 0.008902 0.035166 18H 1px -0.077371 0.018496 -0.003017 -0.007532 0.008316 -0.037749 18H 1py -0.008026 0.058518 0.062044 0.017364 0.033205 -0.019800 19H 1s -0.000219 0.010793 -0.015270 0.000316 -0.014397 0.005362 19H 2s 0.046546 -0.234774 -0.114744 0.035694 -0.035285 -0.016773 19H 3s 0.049269 -0.006400 0.089138 -0.124766 0.003572 -0.053843 19H 1pz -0.037956 0.007905 -0.027731 -0.009966 -0.008970 0.010160 19H 1px 0.000498 -0.041795 -0.055088 -0.000414 -0.023775 0.025998 19H 1py 0.066681 0.027473 0.027473 0.027533 -0.013140 -0.003415 20H 1s 0.004901 0.014424 -0.009252 0.010340 0.016533 -0.004990 20H 2s -0.041338 -0.254590 -0.075884 -0.700917 -0.467880 -0.075874 20H 3s -0.226200 -0.003487 -0.054264 0.343932 -0.023232 0.089378 20H 1pz -0.000786 -0.018346 -0.001027 -0.024340 -0.023548 -0.002842 20H 1px 0.015638 0.015614 0.001136 0.019553 0.022718 -0.004934 20H 1py 0.003734 -0.005304 -0.016343 -0.056352 -0.027571 -0.005271 21H 1s -0.007777 -0.042305 0.006252 -0.021599 -0.043940 -0.002099 21H 2s -0.080334 1.018508 0.044099 0.750149 1.039806 -0.008313 21H 3s 0.035368 0.220490 -0.359673 -0.302489 -0.060408 -0.030730 21H 1pz 0.003554 -0.039429 -0.008879 -0.044245 -0.051141 -0.011079 21H 1px 0.022087 -0.060664 -0.014310 -0.051653 -0.075812 -0.005543 21H 1py -0.014526 -0.007991 0.011458 0.003128 0.007453 0.006901 22H 1s 0.028815 0.017401 0.009431 -0.004397 0.029787 0.006389 22H 2s -0.711106 -0.503474 -0.323695 0.009068 -0.594304 0.100919 22H 3s -0.351570 0.170085 0.081745 -0.178914 0.047704 -0.018294 22H 1pz 0.039658 0.038594 0.012269 -0.003986 0.041454 0.001033 22H 1px -0.026633 -0.017970 -0.013235 0.004168 -0.018259 0.005033 22H 1py -0.022066 -0.006490 -0.018813 0.016261 -0.011319 -0.004266 23H 1s 0.000521 0.020253 -0.027172 -0.034156 0.039596 -0.023601 23H 2s 0.255096 -0.711888 0.740724 0.978198 -0.806116 0.510219 23H 3s -0.277441 0.199989 0.283850 -0.262372 0.203781 0.104621 23H 1pz -0.010967 -0.012993 0.006873 0.001241 -0.001100 0.001992 23H 1px -0.010178 0.023379 -0.025850 -0.027078 0.028461 -0.018513 23H 1py -0.036658 0.045081 -0.045907 -0.085529 0.064088 -0.040533 24H 1s -0.000812 -0.016178 0.036420 0.016664 -0.019306 0.012814 24H 2s -0.421381 0.203165 -0.755286 -0.813593 0.451419 -0.351544 24H 3s 0.124052 0.014274 0.323051 0.332503 0.183370 0.046306 24H 1pz 0.038536 -0.011812 0.055441 0.055931 -0.018322 0.020317 24H 1px 0.028664 -0.012965 0.045430 0.042258 -0.031555 0.021942 24H 1py -0.006701 -0.006977 -0.017155 -0.016441 0.006895 -0.007893 25H 1s 0.006989 -0.005569 -0.015355 0.004840 -0.024876 0.004480 25H 2s -0.167725 0.641271 0.611205 -0.056958 0.739953 -0.087649 25H 3s -0.097778 0.185029 0.052287 -0.130898 0.045366 0.017708 25H 1pz 0.008300 -0.026299 -0.053151 -0.006202 -0.034399 -0.002017 25H 1px -0.006947 0.043838 0.027608 -0.006644 0.043050 -0.006109 25H 1py 0.004430 -0.017989 0.001627 0.012746 -0.029999 0.011473 26O 1s 0.000900 0.003100 -0.009110 -0.003169 -0.004279 0.001669 26O 2s 0.003149 0.007478 -0.019957 -0.005737 -0.009029 0.003720 26O 3s -0.024101 -0.008669 -0.011489 -0.028031 -0.008706 0.003721 26O 4s 0.041087 -0.103478 0.545135 0.291440 0.279451 -0.093339 26O 5s 0.142943 0.298455 -1.335044 -0.761502 -0.900840 0.018045 26O 1pz 0.005940 -0.058672 0.016635 -0.029155 0.047045 0.010466 26O 1px -0.002697 -0.013147 0.018023 0.018287 0.048973 0.025662 26O 1py -0.037947 -0.029541 0.064946 0.032250 -0.010040 -0.038616 26O 2pz 0.012999 -0.137713 0.066924 -0.000033 0.109379 -0.008272 26O 2px -0.015527 -0.106828 0.047308 0.031872 0.111510 0.044789 26O 2py -0.081499 -0.074577 0.126332 0.067596 0.029459 -0.026882 26O 3pz 0.083476 0.872846 -0.796865 -0.160351 -0.410272 0.389590 26O 3px -0.261477 0.549390 0.079667 -0.094286 0.120107 0.207158 26O 3py 0.083490 0.628490 -0.294222 -0.395593 -0.469449 -0.333262 26O 1dz2 0.000588 -0.001411 -0.000857 0.002841 0.000866 0.000538 26O 1dxz 0.003074 -0.000764 -0.004316 0.000441 0.001984 0.003327 26O 1dyz 0.000481 0.001632 0.001588 -0.000707 0.001447 0.001172 26O 1dx2y2 0.001062 -0.000314 -0.000661 0.001618 0.005913 0.005039 26O 1dxy -0.002979 0.002770 0.003792 -0.000464 -0.002691 -0.005008 26O 2dz2 -0.086143 0.011247 0.011354 0.061871 0.000596 -0.027106 26O 2dxz -0.001561 -0.036062 -0.030062 0.013587 -0.007259 0.001465 26O 2dyz 0.058765 0.056352 -0.005436 -0.021133 0.009524 0.033070 26O 2dx2y2 -0.009760 0.007490 -0.034901 0.025397 -0.009527 0.000531 26O 2dxy 0.001820 0.005312 -0.026003 0.001883 -0.050097 -0.052197 26O 1f0 -0.003521 -0.000285 0.000558 0.003570 0.001201 -0.001131 26O 1f+1 0.002500 0.000271 -0.003245 -0.000755 -0.002238 -0.000074 26O 1f-1 0.001791 -0.000154 -0.002860 0.000266 -0.000732 0.000605 26O 1f+2 0.000521 0.000950 -0.000946 -0.000847 -0.000676 0.000503 26O 1f-2 -0.000331 -0.002164 -0.002471 0.000896 -0.000902 -0.000887 26O 1f+3 -0.000202 0.000659 -0.003138 0.000894 -0.003475 -0.002931 26O 1f-3 0.003058 0.002158 -0.004302 0.001004 -0.001116 0.000657 27O 1s 0.003564 0.005732 0.004698 0.001505 0.001538 -0.005825 27O 2s 0.009598 0.010431 0.009675 0.000822 0.003175 -0.009226 27O 3s -0.037967 0.050007 0.014075 0.048153 0.004639 -0.072742 27O 4s -0.049585 -0.527052 -0.353845 -0.347320 -0.094902 0.703173 27O 5s 0.692344 0.993580 1.308237 1.178955 0.382324 -2.510740 27O 1pz 0.024496 -0.023450 -0.036393 0.054663 0.027644 -0.024613 27O 1px 0.001983 0.041523 -0.035880 -0.011721 -0.030574 0.065913 27O 1py 0.017800 -0.027439 -0.008321 0.004129 0.051157 0.051578 27O 2pz 0.076648 -0.121726 -0.090477 0.064471 0.021414 0.003685 27O 2px -0.075217 0.048821 -0.106750 -0.014980 -0.054881 0.146598 27O 2py 0.010413 0.000610 0.037931 0.019493 0.096566 0.004792 27O 3pz 0.217505 0.238969 0.382093 -0.081425 0.294843 -0.227592 27O 3px -0.457066 -0.199737 -0.212772 -0.328398 -0.097705 0.099054 27O 3py -0.006973 -0.428804 -0.435927 -0.006498 -0.018844 0.324335 27O 1dz2 0.000227 0.000462 0.001985 -0.000550 0.001874 -0.002032 27O 1dxz 0.007207 -0.005087 -0.003447 0.000693 0.005278 0.000296 27O 1dyz -0.001904 0.000978 0.003610 0.002883 -0.000503 -0.004390 27O 1dx2y2 -0.001573 -0.002954 -0.002954 -0.002218 0.000115 0.000215 27O 1dxy -0.000405 -0.003103 -0.001257 0.001728 0.003706 0.000677 27O 2dz2 -0.088061 0.002656 0.047563 -0.052585 0.000563 -0.014516 27O 2dxz 0.005908 -0.022025 0.006467 -0.009537 0.025028 -0.002923 27O 2dyz -0.021998 0.060718 -0.009380 0.071582 0.006996 -0.066241 27O 2dx2y2 0.052223 -0.013073 0.061394 -0.011513 0.001891 -0.064195 27O 2dxy -0.030982 0.016416 -0.048651 0.009054 0.012551 0.025665 27O 1f0 -0.004899 0.001482 -0.000487 -0.002360 -0.000647 0.000823 27O 1f+1 0.005962 0.001110 0.001663 0.001079 -0.002376 0.000585 27O 1f-1 0.000284 0.001834 -0.001462 0.002390 -0.000114 -0.000586 27O 1f+2 0.004466 0.000436 -0.000259 0.000704 0.001673 -0.001345 27O 1f-2 -0.001407 0.002048 -0.000711 -0.001648 -0.000086 0.000998 27O 1f+3 0.008732 0.000766 0.004589 -0.000887 -0.001555 -0.003028 27O 1f-3 -0.002087 -0.001277 0.001452 -0.000047 0.002095 -0.002870 28O 1s 0.002423 0.010831 -0.004672 0.000224 -0.001746 0.002204 28O 2s 0.005050 0.019928 -0.011007 -0.001355 -0.004420 0.003754 28O 3s 0.006303 0.087497 0.012485 0.032903 0.011397 0.023658 28O 4s -0.164105 -0.927093 0.246989 -0.228442 0.075422 -0.248858 28O 5s 0.449134 2.359009 -1.454199 1.131797 -0.664488 0.872573 28O 1pz 0.025893 0.027560 -0.004956 -0.029032 -0.065312 -0.033339 28O 1px -0.005920 0.017473 0.014279 0.024953 -0.005601 0.008741 28O 1py 0.004107 0.002034 -0.062450 0.053870 0.028044 0.052738 28O 2pz 0.050877 -0.016124 -0.005967 -0.110521 -0.117941 -0.058382 28O 2px 0.033060 -0.011630 -0.072161 0.040703 -0.067863 0.033424 28O 2py -0.036316 -0.085926 -0.150589 0.129843 0.026659 0.037222 28O 3pz -0.120181 -0.127354 0.540966 0.192355 0.336274 -0.093505 28O 3px -0.058415 0.564808 -0.308601 0.285862 -0.182102 -0.054964 28O 3py 0.177723 0.347018 0.090329 -0.313032 0.206070 0.506383 28O 1dz2 0.002200 0.002422 0.003908 -0.002083 -0.004708 -0.004088 28O 1dxz -0.000113 0.003315 -0.003199 0.001408 0.000388 0.001930 28O 1dyz -0.002023 -0.000114 -0.004422 -0.001561 0.002987 0.002539 28O 1dx2y2 0.000237 -0.002286 0.001142 -0.000555 0.000542 0.000676 28O 1dxy 0.002164 0.000895 0.004457 -0.003302 -0.004359 -0.005968 28O 2dz2 -0.038183 -0.025907 -0.043755 0.019083 0.012314 0.021054 28O 2dxz -0.036495 -0.008129 0.020226 -0.015893 0.054669 0.026731 28O 2dyz 0.028342 -0.068942 -0.024709 -0.031001 -0.027824 -0.012821 28O 2dx2y2 -0.027898 0.009374 -0.088147 0.023394 0.011534 0.056164 28O 2dxy 0.017491 -0.030811 0.015093 -0.018568 -0.033845 -0.040894 28O 1f0 0.002729 0.000410 -0.003081 -0.001697 -0.003639 -0.000980 28O 1f+1 -0.000987 -0.000727 -0.004845 -0.000013 -0.001342 0.001288 28O 1f-1 -0.000304 -0.002069 -0.002674 0.002369 -0.000627 0.001199 28O 1f+2 -0.002925 0.001061 0.007865 -0.001583 0.005346 0.000313 28O 1f-2 0.001355 0.000507 0.001253 -0.002469 -0.003258 -0.002713 28O 1f+3 0.000035 -0.000703 0.004725 -0.002048 0.002067 -0.001622 28O 1f-3 0.001254 0.000016 0.001352 -0.000868 -0.002345 -0.002464 29O 1s -0.004509 0.002974 -0.000599 0.001363 -0.000551 -0.000754 29O 2s -0.010109 0.004100 -0.000106 0.004116 -0.001015 -0.002320 29O 3s -0.002742 0.046152 -0.023922 -0.019923 -0.005279 0.011395 29O 4s 0.218004 -0.394117 0.160100 0.048174 0.051333 -0.025427 29O 5s -0.516537 1.015846 -0.370855 -0.139529 -0.101070 0.062450 29O 1pz 0.009202 0.007120 -0.001705 0.001036 0.005466 0.000710 29O 1px -0.014643 -0.013061 0.011051 0.002359 0.004669 0.004204 29O 1py -0.005273 -0.013732 0.000079 -0.004635 -0.005685 0.011399 29O 2pz 0.026236 -0.023468 -0.019306 0.001127 -0.030347 -0.010183 29O 2px -0.040546 0.073884 -0.035604 -0.007808 -0.014730 0.013750 29O 2py -0.017124 -0.013003 -0.014945 -0.004475 -0.003641 0.017509 29O 3pz -0.253481 -0.009724 0.059868 0.001195 0.114758 0.100380 29O 3px 0.228207 -0.431280 0.214611 0.118596 0.107001 -0.087556 29O 3py 0.084145 -0.147189 0.072271 0.109701 -0.011154 -0.164947 29O 1dz2 0.002011 -0.002428 0.003042 -0.001338 0.000938 -0.000989 29O 1dxz 0.001330 -0.000677 0.001339 -0.000336 0.000057 0.001542 29O 1dyz -0.002539 -0.000390 0.000932 0.000251 0.001611 0.001393 29O 1dx2y2 -0.000778 -0.001577 0.001430 0.000457 0.000207 0.001542 29O 1dxy -0.000401 -0.001376 0.000610 0.000940 0.000832 -0.000846 29O 2dz2 0.075663 0.015747 0.016662 -0.014825 -0.002371 0.013151 29O 2dxz -0.031614 -0.043950 0.033436 -0.010096 0.040208 -0.008540 29O 2dyz -0.071919 0.013483 -0.014211 0.016863 0.022922 -0.001437 29O 2dx2y2 -0.027215 -0.089746 0.043617 0.002546 0.026753 -0.011560 29O 2dxy 0.053052 -0.056698 0.084166 -0.032788 0.018371 0.012011 29O 1f0 0.000614 -0.001646 -0.000823 -0.000552 -0.000471 -0.000465 29O 1f+1 -0.001466 -0.000552 0.000552 -0.000161 0.000338 -0.001309 29O 1f-1 0.000284 -0.002380 -0.000446 -0.000378 -0.001348 -0.001416 29O 1f+2 0.001439 0.002308 -0.000113 0.000543 -0.000535 0.000161 29O 1f-2 0.000285 0.000066 0.001638 -0.000485 0.001542 0.002980 29O 1f+3 -0.001064 0.000022 -0.000500 0.000332 0.000402 -0.001434 29O 1f-3 0.000357 -0.000439 -0.000113 -0.001628 -0.000724 0.000765 30O 1s 0.010928 0.004222 -0.001455 -0.004100 -0.001553 0.005380 30O 2s 0.023859 0.007947 -0.002165 -0.007555 -0.002733 0.007906 30O 3s 0.011417 0.031638 -0.025351 -0.033572 -0.013088 0.079110 30O 4s -0.677178 -0.424291 0.188436 0.346647 0.130104 -0.692538 30O 5s 2.203060 1.389202 -0.379769 -0.791289 -0.242673 2.336235 30O 1pz -0.024125 -0.006781 0.030283 0.033315 -0.027858 -0.007930 30O 1px 0.008052 0.012169 -0.009736 -0.013526 -0.028715 0.080489 30O 1py -0.009188 0.027053 -0.020730 0.035184 -0.066812 -0.012014 30O 2pz -0.081733 -0.030974 0.016685 0.129698 -0.036140 -0.056679 30O 2px 0.070265 0.069196 0.033286 0.034361 -0.033901 0.108037 30O 2py 0.053494 0.113590 -0.084628 0.043606 -0.153334 0.081274 30O 3pz 0.059749 0.590221 0.084086 -0.559654 -0.333345 0.054541 30O 3px 0.432042 0.276139 -0.127706 -0.162442 -0.115524 0.188201 30O 3py -0.431986 -0.505948 0.390076 -0.106113 0.370276 -0.409346 30O 1dz2 -0.000568 0.006050 -0.000967 0.000328 -0.007549 0.000767 30O 1dxz 0.001855 -0.002499 -0.001236 -0.000690 0.002996 0.000531 30O 1dyz 0.003846 -0.000194 -0.003155 -0.000016 0.001679 0.003266 30O 1dx2y2 -0.001008 0.000765 -0.001537 -0.000232 -0.000937 -0.000848 30O 1dxy 0.001480 -0.001423 0.000448 -0.000810 0.003784 0.001473 30O 2dz2 -0.030483 0.014924 -0.009280 -0.036548 0.013523 0.019308 30O 2dxz -0.047159 0.008357 -0.009424 0.004079 0.063416 -0.026410 30O 2dyz -0.048138 -0.028467 -0.040017 -0.010337 -0.024791 0.032845 30O 2dx2y2 0.001329 0.027145 0.030391 -0.014294 0.033556 0.009563 30O 2dxy 0.048916 -0.016925 0.004799 -0.017020 0.015689 0.071356 30O 1f0 0.003590 0.001430 0.002284 0.000977 -0.000382 -0.000241 30O 1f+1 0.000165 -0.001916 0.000320 -0.000878 0.003561 -0.000146 30O 1f-1 -0.000472 -0.002691 0.000643 -0.001774 0.002097 -0.000847 30O 1f+2 -0.006831 -0.000606 -0.001240 -0.001181 0.000291 -0.002249 30O 1f-2 -0.007130 -0.001018 -0.003927 -0.001000 -0.001965 0.001158 30O 1f+3 0.000930 -0.002742 -0.000709 0.001998 0.000034 -0.001927 30O 1f-3 -0.006699 -0.001303 -0.003508 0.000322 0.000430 -0.000839 31O 1s -0.011127 0.004286 0.001683 -0.004065 0.001640 0.005357 31O 2s -0.024320 0.008166 0.002585 -0.007503 0.002925 0.007844 31O 3s -0.011140 0.029953 0.027359 -0.032827 0.013331 0.079288 31O 4s 0.685480 -0.421298 -0.209601 0.342156 -0.134247 -0.691910 31O 5s -2.232896 1.402830 0.421828 -0.796296 0.236669 2.336185 31O 1pz -0.024717 0.005163 0.031134 -0.032083 -0.028064 0.007907 31O 1px 0.008139 -0.012718 -0.009258 0.013282 -0.027320 -0.080536 31O 1py -0.008381 -0.027342 -0.019758 -0.036061 -0.066210 0.011530 31O 2pz -0.084973 0.028798 0.021390 -0.129385 -0.036209 0.056650 31O 2px 0.071183 -0.073547 0.035345 -0.032119 -0.030687 -0.107751 31O 2py 0.057424 -0.113948 -0.083851 -0.047468 -0.152938 -0.082557 31O 3pz 0.062969 -0.585165 0.035851 0.557819 -0.333469 -0.052456 31O 3px 0.436212 -0.281276 -0.138513 0.163061 -0.115700 -0.190197 31O 3py -0.456694 0.495252 0.397574 0.129622 0.380334 0.409560 31O 1dz2 0.000666 0.006181 0.001121 0.000371 0.007417 0.000800 31O 1dxz -0.001924 -0.002575 0.001127 -0.000665 -0.002941 0.000548 31O 1dyz -0.003896 -0.000285 0.003082 0.000073 -0.001699 0.003282 31O 1dx2y2 0.001051 0.000730 0.001575 -0.000141 0.000935 -0.000832 31O 1dxy -0.001560 -0.001498 -0.000473 -0.000797 -0.003758 0.001444 31O 2dz2 0.031055 0.013093 0.011168 -0.035802 -0.013858 0.019590 31O 2dxz 0.047939 0.005044 0.009835 0.005037 -0.062202 -0.026112 31O 2dyz 0.048104 -0.030263 0.039837 -0.008988 0.025394 0.033315 31O 2dx2y2 -0.001353 0.027491 -0.029566 -0.015246 -0.033457 0.009400 31O 2dxy -0.049638 -0.015442 -0.006369 -0.017228 -0.015795 0.071061 31O 1f0 0.003634 -0.001633 0.002287 -0.000877 -0.000375 0.000276 31O 1f+1 0.000209 0.001990 0.000344 0.000898 0.003517 0.000160 31O 1f-1 -0.000391 0.002750 0.000643 0.001826 0.002050 0.000866 31O 1f+2 -0.006871 0.000777 -0.001311 0.001085 0.000221 0.002200 31O 1f-2 -0.007174 0.001323 -0.003978 0.000822 -0.001951 -0.001232 31O 1f+3 0.000938 0.002645 -0.000585 -0.002012 0.000007 0.001940 31O 1f-3 -0.006717 0.001572 -0.003492 -0.000489 0.000390 0.000782 32O 1s 0.004452 0.003100 0.000671 0.001380 0.000661 -0.000791 32O 2s 0.010000 0.004404 0.000137 0.004102 0.001230 -0.002411 32O 3s 0.002345 0.045785 0.026482 -0.018913 0.006031 0.011465 32O 4s -0.213561 -0.398106 -0.177874 0.041946 -0.060979 -0.024524 32O 5s 0.507214 1.027487 0.417064 -0.125701 0.125700 0.061477 32O 1pz 0.009417 -0.007078 -0.002057 -0.001270 0.006005 -0.000503 32O 1px -0.014529 0.012067 0.011345 -0.002011 0.004649 -0.003998 32O 1py -0.005256 0.013874 0.000449 0.004577 -0.005371 -0.011765 32O 2pz 0.025179 0.024414 -0.018870 -0.002318 -0.029244 0.010327 32O 2px -0.040152 -0.074717 -0.037744 0.006300 -0.015213 -0.014415 32O 2py -0.017294 0.014161 -0.016036 0.003757 -0.004435 -0.017653 32O 3pz -0.242117 0.011311 0.064964 0.004497 0.111321 -0.103241 32O 3px 0.230985 0.434216 0.231306 -0.108250 0.107234 0.090580 32O 3py 0.080761 0.149510 0.088344 -0.107664 -0.004348 0.167974 32O 1dz2 -0.002152 -0.002311 -0.003027 -0.001496 -0.000926 -0.001038 32O 1dxz -0.001361 -0.000648 -0.001371 -0.000375 -0.000019 0.001511 32O 1dyz 0.002350 -0.000605 -0.001172 0.000189 -0.001660 0.001379 32O 1dx2y2 0.000734 -0.001536 -0.001518 0.000391 -0.000230 0.001517 32O 1dxy 0.000308 -0.001409 -0.000730 0.000900 -0.000767 -0.000831 32O 2dz2 -0.076511 0.018955 -0.015220 -0.016246 0.003606 0.013090 32O 2dxz 0.028747 -0.045646 -0.033632 -0.010880 -0.038833 -0.007691 32O 2dyz 0.068522 0.009149 0.010346 0.016437 -0.023916 -0.000910 32O 2dx2y2 0.025687 -0.089081 -0.044541 0.001014 -0.025103 -0.011723 32O 2dxy -0.054143 -0.055478 -0.085566 -0.036346 -0.018506 0.010879 32O 1f0 0.000556 0.001541 -0.000838 0.000502 -0.000423 0.000380 32O 1f+1 -0.001407 0.000571 0.000542 0.000158 0.000318 0.001363 32O 1f-1 0.000403 0.002465 -0.000466 0.000377 -0.001409 0.001411 32O 1f+2 0.001377 -0.002482 -0.000159 -0.000525 -0.000538 -0.000155 32O 1f-2 0.000306 -0.000241 0.001625 0.000519 0.001545 -0.002927 32O 1f+3 -0.001023 0.000007 -0.000446 -0.000362 0.000418 0.001352 32O 1f-3 0.000270 0.000529 -0.000175 0.001625 -0.000665 -0.000811 33O 1s -0.002420 0.010680 0.004956 0.000406 0.001816 0.002234 33O 2s -0.005031 0.019550 0.011627 -0.000900 0.004535 0.003828 33O 3s -0.006619 0.087965 -0.011878 0.031979 -0.010556 0.023566 33O 4s 0.165971 -0.919831 -0.258565 -0.235173 -0.083770 -0.250654 33O 5s -0.450296 2.336800 1.445029 1.175280 0.697459 0.883770 33O 1pz 0.025231 -0.027323 -0.006527 0.028920 -0.064731 0.033238 33O 1px -0.006690 -0.018572 0.015963 -0.023881 -0.006145 -0.008459 33O 1py 0.004663 -0.001034 -0.060076 -0.057027 0.027302 -0.053264 33O 2pz 0.050703 0.017618 -0.008496 0.110792 -0.115464 0.058544 33O 2px 0.032406 0.010381 -0.066280 -0.042431 -0.069503 -0.033195 33O 2py -0.033740 0.088753 -0.142118 -0.136722 0.024686 -0.038646 33O 3pz -0.115698 0.118980 0.547894 -0.171848 0.325190 0.096842 33O 3px -0.066605 -0.560531 -0.310515 -0.291744 -0.186525 0.053572 33O 3py 0.181876 -0.350922 0.067385 0.312993 0.203688 -0.503702 33O 1dz2 -0.002071 0.002573 -0.003841 -0.002334 0.004669 -0.004187 33O 1dxz 0.000130 0.003271 0.003222 0.001525 -0.000384 0.001945 33O 1dyz 0.001894 -0.000094 0.004581 -0.001317 -0.002917 0.002534 33O 1dx2y2 -0.000300 -0.002339 -0.001163 -0.000576 -0.000550 0.000693 33O 1dxy -0.002075 0.000960 -0.004281 -0.003551 0.004289 -0.006013 33O 2dz2 0.038516 -0.028322 0.041531 0.021316 -0.012992 0.021634 33O 2dxz 0.035627 -0.009187 -0.019679 -0.015657 -0.055299 0.026960 33O 2dyz -0.029382 -0.068836 0.023893 -0.029735 0.028314 -0.012679 33O 2dx2y2 0.027830 0.006724 0.086404 0.026987 -0.011271 0.056798 33O 2dxy -0.018369 -0.030419 -0.014994 -0.019341 0.034392 -0.040990 33O 1f0 0.002697 -0.000383 -0.003081 0.001642 -0.003627 0.000992 33O 1f+1 -0.000951 0.000928 -0.004839 -0.000196 -0.001274 -0.001370 33O 1f-1 -0.000294 0.002132 -0.002418 -0.002455 -0.000631 -0.001215 33O 1f+2 -0.002988 -0.001149 0.007739 0.001855 0.005389 -0.000257 33O 1f-2 0.001300 -0.000505 0.001103 0.002555 -0.003239 0.002712 33O 1f+3 0.000026 0.000629 0.004567 0.002198 0.002096 0.001638 33O 1f-3 0.001213 -0.000017 0.001283 0.000938 -0.002297 0.002460 34O 1s -0.003700 0.006032 -0.004569 0.001353 -0.001503 -0.005896 34O 2s -0.009915 0.011038 -0.009406 0.000523 -0.003127 -0.009360 34O 3s 0.038167 0.051086 -0.013452 0.047597 -0.004010 -0.073167 34O 4s 0.055803 -0.548396 0.345174 -0.334416 0.089620 0.709399 34O 5s -0.716382 1.059064 -1.305329 1.120531 -0.364287 -2.531601 34O 1pz 0.025033 0.024442 -0.033918 -0.055856 0.026943 0.024756 34O 1px 0.001200 -0.039944 -0.037079 0.010132 -0.029769 -0.066334 34O 1py 0.018686 0.027461 -0.006358 -0.004248 0.050918 -0.051310 34O 2pz 0.077530 0.123864 -0.085728 -0.067049 0.020947 -0.003472 34O 2px -0.077684 -0.043743 -0.109007 0.009907 -0.052635 -0.148015 34O 2py 0.013902 -0.002397 0.039394 -0.017487 0.095525 -0.003874 34O 3pz 0.227965 -0.249585 0.379318 0.096128 0.286498 0.232152 34O 3px -0.461034 0.203828 -0.215463 0.314320 -0.101034 -0.100732 34O 3py -0.015868 0.450816 -0.422239 -0.008301 -0.014766 -0.330603 34O 1dz2 -0.000237 0.000491 -0.001925 -0.000639 -0.001857 -0.002057 34O 1dxz -0.007383 -0.005182 0.003253 0.000774 -0.005188 0.000256 34O 1dyz 0.001872 0.001112 -0.003661 0.002753 0.000511 -0.004406 34O 1dx2y2 0.001573 -0.003113 0.002950 -0.002101 -0.000097 0.000238 34O 1dxy 0.000342 -0.003194 0.001071 0.001739 -0.003677 0.000672 34O 2dz2 0.088054 0.002125 -0.044074 -0.053921 -0.001250 -0.014412 34O 2dxz -0.006352 -0.022354 -0.006756 -0.009774 -0.024709 -0.003053 34O 2dyz 0.021953 0.061054 0.008389 0.071796 -0.006982 -0.066096 34O 2dx2y2 -0.053208 -0.011967 -0.060652 -0.014494 -0.001704 -0.064623 34O 2dxy 0.031360 0.015008 0.048545 0.011091 -0.012200 0.025891 34O 1f0 -0.004925 -0.001367 -0.000640 0.002320 -0.000596 -0.000861 34O 1f+1 0.005989 -0.001242 0.001703 -0.000958 -0.002369 -0.000561 34O 1f-1 0.000241 -0.001869 -0.001415 -0.002463 -0.000124 0.000577 34O 1f+2 0.004506 -0.000482 -0.000263 -0.000701 0.001616 0.001371 34O 1f-2 -0.001413 -0.001994 -0.000843 0.001601 -0.000098 -0.001014 34O 1f+3 0.008752 -0.000980 0.004532 0.001107 -0.001539 0.003077 34O 1f-3 -0.002066 0.001241 0.001406 0.000087 0.002049 0.002886 35O 1s -0.000876 0.002758 0.009317 -0.002859 0.004415 0.001685 35O 2s -0.002993 0.006734 0.020415 -0.005026 0.009282 0.003770 35O 3s 0.022072 -0.009372 0.011601 -0.028252 0.010002 0.003452 35O 4s -0.032316 -0.083471 -0.555823 0.276340 -0.291652 -0.092422 35O 5s -0.152968 0.243446 1.380847 -0.731762 0.912898 0.014424 35O 1pz 0.007496 0.057578 0.016620 0.029382 0.047543 -0.010214 35O 1px -0.000977 0.012123 0.020077 -0.017951 0.047561 -0.025365 35O 1py -0.037164 0.028120 0.067929 -0.028988 -0.010125 0.038967 35O 2pz 0.016253 0.136026 0.070002 0.002086 0.111132 0.008754 35O 2px -0.009889 0.105530 0.055056 -0.030845 0.106722 -0.044066 35O 2py -0.079708 0.074123 0.135413 -0.060605 0.029664 0.027527 35O 3pz 0.075530 -0.864748 -0.835641 0.129135 -0.419685 -0.394971 35O 3px -0.281525 -0.566330 0.053068 0.088799 0.126247 -0.208414 35O 3py 0.064033 -0.633511 -0.339667 0.379131 -0.471718 0.332754 35O 1dz2 -0.000688 -0.001495 0.000693 0.002882 -0.000798 0.000564 35O 1dxz -0.003193 -0.000797 0.004381 0.000665 -0.001981 0.003390 35O 1dyz -0.000549 0.001630 -0.001516 -0.000752 -0.001413 0.001209 35O 1dx2y2 -0.001128 -0.000085 0.000691 0.001778 -0.005857 0.005036 35O 1dxy 0.003133 0.002809 -0.003761 -0.000652 0.002634 -0.005018 35O 2dz2 0.085993 0.009359 -0.013482 0.061822 0.000408 -0.026678 35O 2dxz 0.001017 -0.036252 0.028913 0.015139 0.007107 0.001844 35O 2dyz -0.056863 0.056886 0.008611 -0.020410 -0.010506 0.032938 35O 2dx2y2 0.009751 0.007791 0.035333 0.026952 0.009403 0.000777 35O 2dxy -0.000573 0.005128 0.027098 0.002723 0.049401 -0.051941 35O 1f0 -0.003521 0.000249 0.000706 -0.003561 0.001137 0.001137 35O 1f+1 0.002493 -0.000339 -0.003307 0.000654 -0.002174 0.000076 35O 1f-1 0.001751 0.000113 -0.002900 -0.000372 -0.000701 -0.000592 35O 1f+2 0.000577 -0.000880 -0.001052 0.000780 -0.000676 -0.000534 35O 1f-2 -0.000285 0.002274 -0.002390 -0.000994 -0.000859 0.000851 35O 1f+3 -0.000218 -0.000560 -0.003114 -0.000964 -0.003422 0.002902 35O 1f-3 0.003028 -0.002243 -0.004339 -0.001150 -0.001117 -0.000638 282 283 284 285 286 287 1.08663 1.09609 1.10177 1.14413 1.14731 1.14991 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s 0.000798 -0.001900 0.000343 -0.000109 -0.000315 0.001788 0Rh 2s -0.002489 0.010347 -0.003516 0.000228 0.001278 -0.007871 0Rh 3s 0.003131 -0.004736 -0.000160 -0.000498 -0.001055 0.005610 0Rh 4s 0.011195 -0.049042 0.017206 -0.000921 -0.005921 0.036755 0Rh 5s -0.002819 0.068464 -0.035506 -0.001913 0.004955 -0.036648 0Rh 6s -0.058687 0.005376 0.049636 0.015340 0.016518 -0.079743 0Rh 7s 0.205169 -0.136898 -0.180671 -0.054956 -0.054606 0.050575 0Rh 8s 0.324609 -0.058647 0.010640 0.094837 0.049753 -1.343982 0Rh 1pz 0.012326 0.005470 -0.006025 -0.027960 -0.006567 -0.002547 0Rh 1px 0.002078 -0.017495 0.008715 -0.010902 0.003083 -0.001414 0Rh 1py 0.003981 -0.002012 0.001595 0.005270 -0.029134 -0.000311 0Rh 2pz -0.042040 -0.018330 0.020304 0.092963 0.021786 0.008919 0Rh 2px -0.006972 0.058921 -0.029417 0.036223 -0.010239 0.005358 0Rh 2py -0.014102 0.006799 -0.005268 -0.017504 0.096862 0.001046 0Rh 3pz 0.019406 0.001706 -0.004217 0.009830 0.003387 -0.008041 0Rh 3px 0.000665 -0.011880 0.007413 0.004271 -0.001289 -0.015274 0Rh 3py 0.017372 -0.001835 -0.001207 -0.002227 0.010466 -0.000442 0Rh 4pz 0.146635 0.092204 -0.092585 -0.553860 -0.134363 -0.021318 0Rh 4px 0.036117 -0.269307 0.127467 -0.216771 0.061676 0.047582 0Rh 4py 0.003470 -0.029349 0.034113 0.105973 -0.578287 -0.001299 0Rh 5pz -0.114902 -0.133129 0.116851 0.836561 0.205893 0.064034 0Rh 5px -0.053803 0.357227 -0.157392 0.322873 -0.092767 -0.235435 0Rh 5py 0.084068 0.042823 -0.065017 -0.161168 0.874639 -0.023509 0Rh 6pz -1.909174 0.284233 0.216338 -0.047278 -0.047049 -1.044049 0Rh 6px 0.057764 -0.216350 -0.081400 -0.021665 -0.076640 4.487849 0Rh 6py -2.187738 -0.250258 0.604457 0.009349 -0.182485 0.760398 0Rh 1dz2 -0.024973 0.031370 0.045531 -0.016005 -0.007186 0.021353 0Rh 1dxz 0.052958 0.019483 0.008195 0.018150 0.006655 0.016831 0Rh 1dyz -0.007269 -0.008321 -0.015878 0.006505 -0.014486 0.002566 0Rh 1dx2y2 0.005679 -0.002459 0.037898 0.009587 -0.002569 -0.037198 0Rh 1dxy 0.051519 -0.001481 0.000192 -0.002099 0.020537 -0.010461 0Rh 2dz2 0.006805 -0.004675 -0.008403 0.004283 0.001552 -0.005642 0Rh 2dxz -0.013356 -0.002022 -0.001509 -0.005633 -0.001817 -0.003741 0Rh 2dyz 0.001993 0.001774 0.002425 -0.001855 0.002585 -0.000779 0Rh 2dx2y2 -0.000830 -0.001218 -0.005679 -0.002862 0.000989 0.009471 0Rh 2dxy -0.013226 -0.000683 0.001090 0.000629 -0.006677 0.002917 0Rh 3dz2 0.024266 -0.046924 -0.061720 0.016315 0.009029 -0.021447 0Rh 3dxz -0.056281 -0.032779 -0.011264 -0.015285 -0.006692 -0.019525 0Rh 3dyz 0.006971 0.010238 0.023426 -0.006126 0.020573 -0.002031 0Rh 3dx2y2 -0.008574 0.010011 -0.056636 -0.008522 0.001441 0.038676 0Rh 3dxy -0.053881 0.005874 -0.004997 0.001878 -0.015924 0.009748 0Rh 4dz2 0.118028 -0.096232 -0.158067 0.072528 0.024714 -0.107158 0Rh 4dxz -0.234934 -0.049492 -0.027326 -0.091847 -0.029895 -0.081296 0Rh 4dyz 0.036420 0.033521 0.054126 -0.031440 0.041100 -0.016248 0Rh 4dx2y2 -0.015963 -0.010986 -0.117794 -0.047164 0.013488 0.184473 0Rh 4dxy -0.228623 -0.005879 0.014919 0.010007 -0.111188 0.056854 0Rh 5dz2 -0.346990 0.232394 0.368368 -0.193244 -0.018991 0.465857 0Rh 5dxz 0.691100 0.122613 0.045062 0.240444 0.063339 0.425433 0Rh 5dyz -0.139032 -0.108400 -0.205832 0.084347 0.024337 0.097888 0Rh 5dx2y2 0.005417 0.028847 0.315637 0.129130 0.000415 -0.827201 0Rh 5dxy 0.626892 0.014140 -0.069660 -0.021781 0.354893 -0.277060 0Rh 1f0 -0.008816 0.017029 -0.011527 -0.020717 0.024870 -0.025530 0Rh 1f+1 -0.020745 -0.012226 0.011779 -0.008829 -0.001484 0.022785 0Rh 1f-1 0.003164 -0.004055 -0.000147 0.024913 0.039265 0.005044 0Rh 1f+2 0.021352 -0.021390 0.003374 -0.032720 0.010903 0.038417 0Rh 1f-2 0.006224 -0.008422 0.005247 -0.002312 0.014820 0.012976 0Rh 1f+3 0.002376 -0.027550 0.011156 0.013333 -0.005398 0.042686 0Rh 1f-3 -0.022411 -0.017195 0.007129 -0.005385 -0.002581 0.022585 1Rh 1s 0.000780 -0.001884 0.000343 -0.000169 -0.000243 -0.001841 1Rh 2s -0.002428 0.010295 -0.003519 0.000481 0.000949 0.008070 1Rh 3s 0.003061 -0.004677 -0.000158 -0.000689 -0.000834 -0.005800 1Rh 4s 0.010920 -0.048809 0.017221 -0.002099 -0.004382 -0.037672 1Rh 5s -0.002708 0.068377 -0.035532 -0.000798 0.003338 0.037261 1Rh 6s -0.057405 0.004256 0.049674 0.018130 0.013525 0.082922 1Rh 7s 0.204895 -0.133377 -0.181889 -0.058947 -0.054804 -0.067242 1Rh 8s 0.316104 -0.058346 0.007884 0.129602 -0.009177 1.349852 1Rh 1pz -0.012443 -0.005436 0.006043 0.027871 0.006721 -0.003029 1Rh 1px -0.002105 0.017504 -0.008664 0.010840 -0.003048 -0.001731 1Rh 1py -0.004030 0.002076 -0.001676 -0.005282 0.029108 0.001081 1Rh 2pz 0.042439 0.018210 -0.020366 -0.092651 -0.022317 0.010517 1Rh 2px 0.007070 -0.058960 0.029246 -0.035995 0.010097 0.006414 1Rh 2py 0.014269 -0.007018 0.005539 0.017544 -0.096776 -0.003586 1Rh 3pz -0.019585 -0.001567 0.004271 -0.010137 -0.003029 -0.007830 1Rh 3px -0.000862 0.012026 -0.007363 -0.004783 0.001890 -0.015190 1Rh 3py -0.017466 0.001944 0.001152 0.002236 -0.010415 -0.000882 1Rh 4pz -0.148153 -0.092085 0.092718 0.553242 0.136058 -0.031019 1Rh 4px -0.035771 0.268845 -0.126748 0.218033 -0.063963 0.041329 1Rh 4py -0.003997 0.030096 -0.035371 -0.106155 0.577464 0.026149 1Rh 5pz 0.117569 0.132752 -0.117153 -0.834909 -0.209921 0.078900 1Rh 5px 0.052069 -0.355606 0.156505 -0.329707 0.103062 -0.225634 1Rh 5py -0.083525 -0.043742 0.066694 0.160874 -0.872070 -0.065063 1Rh 6pz 1.890881 -0.270482 -0.208320 0.022838 0.095664 -1.052425 1Rh 6px -0.025477 0.195220 0.079937 0.154425 -0.116844 4.489048 1Rh 6py 2.190935 0.251132 -0.597757 0.004858 0.145881 0.771893 1Rh 1dz2 -0.024758 0.031652 0.045658 -0.016640 -0.006276 -0.021273 1Rh 1dxz 0.052936 0.019384 0.007983 0.017735 0.007447 -0.017276 1Rh 1dyz -0.007557 -0.008429 -0.015708 0.006333 -0.014280 -0.003793 1Rh 1dx2y2 0.006100 -0.002511 0.037839 0.010695 -0.004173 0.037137 1Rh 1dxy 0.051566 -0.001675 0.000015 -0.001809 0.020065 0.011335 1Rh 2dz2 0.006769 -0.004760 -0.008432 0.004454 0.001311 0.005579 1Rh 2dxz -0.013369 -0.001980 -0.001457 -0.005545 -0.001999 0.003889 1Rh 2dyz 0.002048 0.001774 0.002401 -0.001817 0.002545 0.000993 1Rh 2dx2y2 -0.000924 -0.001204 -0.005661 -0.003139 0.001407 -0.009417 1Rh 2dxy -0.013252 -0.000637 0.001127 0.000549 -0.006542 -0.003218 1Rh 3dz2 0.023959 -0.047161 -0.061869 0.016938 0.008116 0.021549 1Rh 3dxz -0.056189 -0.032742 -0.011028 -0.014792 -0.007586 0.019855 1Rh 3dyz 0.007351 0.010472 0.023168 -0.005918 0.020307 0.003795 1Rh 3dx2y2 -0.009064 0.010055 -0.056585 -0.009694 0.003068 -0.038766 1Rh 3dxy -0.053870 0.006096 -0.004781 0.001605 -0.015503 -0.010352 1Rh 4dz2 0.117363 -0.097719 -0.158545 0.075723 0.020166 0.105963 1Rh 4dxz -0.234963 -0.048879 -0.026446 -0.089834 -0.033746 0.083705 1Rh 4dyz 0.037446 0.033493 0.053687 -0.030693 0.040270 0.019686 1Rh 4dx2y2 -0.017784 -0.010696 -0.117467 -0.052562 0.021597 -0.183809 1Rh 4dxy -0.229039 -0.005125 0.015666 0.008423 -0.108556 -0.061901 1Rh 5dz2 -0.346330 0.238571 0.368875 -0.206717 0.000297 -0.458328 1Rh 5dxz 0.689887 0.121380 0.042811 0.229135 0.082743 -0.433330 1Rh 5dyz -0.141462 -0.104798 -0.206764 0.081161 0.027267 -0.095814 1Rh 5dx2y2 0.012483 0.027102 0.314285 0.153255 -0.036244 0.828033 1Rh 5dxy 0.629049 0.012948 -0.072750 -0.013726 0.341921 0.295246 1Rh 1f0 0.008686 -0.016976 0.011561 0.020017 -0.023666 -0.027583 1Rh 1f+1 0.021032 0.012175 -0.011903 0.009534 0.000491 0.022757 1Rh 1f-1 -0.002955 0.003990 0.000194 -0.024764 -0.039456 0.003882 1Rh 1f+2 -0.021450 0.021304 -0.003410 0.033899 -0.012334 0.037054 1Rh 1f-2 -0.006121 0.008491 -0.005338 0.002815 -0.015339 0.012641 1Rh 1f+3 -0.002067 0.027405 -0.011299 -0.012213 0.003418 0.043457 1Rh 1f-3 0.022648 0.016833 -0.006935 0.006093 0.001717 0.022522 2C 1s -0.000091 0.008284 -0.002400 0.001234 0.001002 -0.000009 2C 2s -0.000092 0.015029 -0.001308 0.003321 0.000541 -0.002921 2C 3s -0.009965 0.195041 -0.165365 -0.028358 0.076321 0.084414 2C 4s 0.039266 -1.464810 0.895058 0.102984 -0.356917 -0.345827 2C 5s 0.431199 -1.187337 -0.072309 -0.726046 -0.440419 0.296633 2C 1pz 0.027893 -0.093305 0.071408 0.002580 -0.039400 -0.010061 2C 1px -0.017839 -0.039408 0.037587 0.047713 0.054723 -0.069293 2C 1py -0.016994 -0.086055 -0.012471 -0.009004 0.011671 -0.014425 2C 2pz 0.121495 -1.099956 0.581213 0.094516 -0.158120 -0.396919 2C 2px 0.006436 -0.396063 0.107694 -0.301364 -0.366659 0.387130 2C 2py -0.132033 -0.552195 0.564281 -0.045369 -0.266681 -0.065569 2C 3pz 0.204307 -0.632069 0.376314 -0.315192 -0.304567 -0.050184 2C 3px -0.097217 -0.295334 0.207925 0.502564 0.532218 -0.516256 2C 3py -0.057186 -0.665172 -0.034231 0.046317 -0.168998 0.028336 2C 1dz2 -0.001271 0.000110 -0.011473 -0.001505 -0.003822 -0.002484 2C 1dxz -0.000313 0.003396 -0.004413 0.006236 0.006315 -0.001174 2C 1dyz 0.000158 0.008744 0.001490 -0.002058 0.001798 0.006276 2C 1dx2y2 -0.001099 -0.007032 -0.004716 -0.001279 -0.000969 0.001909 2C 1dxy 0.001849 -0.000950 -0.003279 0.005891 0.005265 -0.000701 2C 2dz2 -0.040318 -0.205300 0.594427 -0.204621 -0.251181 0.087149 2C 2dxz -0.141040 0.163392 0.403900 0.387122 0.371877 -0.549226 2C 2dyz -0.014063 -0.936566 0.284893 -0.090263 -0.308002 0.020756 2C 2dx2y2 -0.168559 0.303062 0.156095 -0.158179 -0.049444 0.317999 2C 2dxy 0.186898 -0.307933 -0.045682 0.302551 0.262168 -0.458480 2C 1f0 -0.011962 0.007963 0.018636 -0.012356 -0.015281 0.021761 2C 1f+1 0.008005 -0.021980 -0.001553 -0.001694 -0.003012 -0.003224 2C 1f-1 0.003180 -0.026916 0.016009 0.008800 0.000129 -0.013769 2C 1f+2 -0.001380 0.018311 0.002747 0.008964 0.013114 -0.013782 2C 1f-2 -0.001328 0.010370 0.007409 0.007084 0.005102 -0.006097 2C 1f+3 -0.007036 -0.007856 0.022129 -0.002416 -0.006787 -0.001766 2C 1f-3 0.001184 -0.019894 -0.001141 -0.010536 -0.011397 0.013045 3C 1s -0.000253 0.007049 -0.005028 0.001160 -0.000467 0.000123 3C 2s -0.000999 0.010656 -0.010593 0.003290 0.000312 -0.001356 3C 3s 0.011002 0.239487 -0.072045 -0.029039 -0.058099 0.047292 3C 4s -0.020817 -1.559863 0.710778 0.095961 0.239294 -0.197381 3C 5s 0.595438 -1.374502 0.164132 -0.574521 -0.020471 0.265619 3C 1pz -0.001584 -0.019870 0.060197 -0.012334 0.033189 0.034361 3C 1px -0.029405 -0.041734 0.043285 0.061664 -0.026478 -0.051972 3C 1py -0.024260 0.126173 -0.028434 0.011352 -0.001174 0.023675 3C 2pz -0.203055 -0.582370 0.063819 0.080995 0.038451 -0.155866 3C 2px -0.225869 -0.519221 0.209693 -0.359285 0.347840 0.446660 3C 2py -0.129752 1.141039 -0.582802 -0.096090 -0.152896 0.285069 3C 3pz 0.066224 -0.239453 0.354046 -0.262506 0.254659 0.084347 3C 3px -0.326346 -0.347579 0.300463 0.379190 -0.536672 -0.354405 3C 3py -0.226505 0.917417 -0.117582 0.123875 -0.192895 -0.042483 3C 1dz2 -0.001252 -0.006169 -0.010437 -0.000928 0.003475 -0.005324 3C 1dxz -0.000137 0.001731 -0.005517 0.005541 -0.005452 -0.007745 3C 1dyz -0.000381 -0.002268 0.005659 0.003205 -0.001737 0.000243 3C 1dx2y2 -0.000104 -0.008829 -0.000706 0.004117 -0.004023 -0.004157 3C 1dxy 0.003028 -0.004566 0.002849 -0.006069 0.004512 -0.002892 3C 2dz2 -0.043800 0.273861 0.153433 -0.160747 0.104074 0.229659 3C 2dxz 0.412684 -0.088634 0.259713 0.403333 -0.284128 -0.658036 3C 2dyz -0.118781 0.704037 -0.710930 0.242403 -0.321763 -0.223058 3C 2dx2y2 0.309761 0.520125 0.246557 0.165729 -0.277882 -0.170729 3C 2dxy 0.214529 0.377010 -0.052683 -0.279746 0.196334 0.345196 3C 1f0 0.019881 0.026107 0.009250 0.001329 -0.005112 -0.001308 3C 1f+1 -0.003238 -0.002925 0.011141 -0.012623 0.008305 0.019143 3C 1f-1 -0.016421 0.007713 -0.023310 -0.002965 -0.000469 0.006652 3C 1f+2 -0.004614 0.004141 -0.001662 -0.005640 0.001833 0.002647 3C 1f-2 0.002216 0.010922 -0.011470 0.006478 -0.007108 -0.006695 3C 1f+3 0.017350 -0.019491 0.020830 0.013946 -0.005558 -0.021399 3C 1f-3 0.007938 0.020168 -0.011064 0.018297 -0.015403 -0.021984 4C 1s 0.000654 -0.012823 0.008685 0.000829 -0.003921 -0.008785 4C 2s 0.001576 -0.027857 0.020107 0.001498 -0.010061 -0.022872 4C 3s 0.021918 -0.275930 0.115365 0.009150 -0.018696 0.013234 4C 4s -0.112281 2.345523 -1.413236 -0.185378 0.413731 0.641578 4C 5s -0.855513 1.825690 -1.421743 0.145690 1.308607 1.497842 4C 1pz -0.019322 -0.114809 0.002364 0.005299 -0.015339 -0.000276 4C 1px 0.061723 -0.056006 -0.023791 -0.015508 -0.019899 -0.056162 4C 1py 0.009776 -0.012462 0.109439 -0.018529 -0.007826 -0.010961 4C 2pz -0.144949 -0.892303 0.550237 -0.106299 -0.360879 -0.057128 4C 2px 0.422390 -0.216878 0.036076 0.281358 0.246975 -0.408325 4C 2py 0.057111 -0.523959 0.455821 0.038455 -0.107505 -0.154271 4C 3pz -0.022037 -0.784095 -0.838221 -0.188343 0.464250 0.721937 4C 3px 0.251777 -0.252943 -0.214493 -0.405462 -0.372878 0.472511 4C 3py 0.005518 -0.117040 -0.164947 -0.326263 0.304746 0.327359 4C 1dz2 0.004880 -0.006088 0.006509 0.002251 -0.002467 0.003340 4C 1dxz -0.007363 -0.003418 0.006330 0.001337 0.003133 -0.001712 4C 1dyz 0.001636 -0.002849 0.000732 -0.001484 -0.001216 0.000201 4C 1dx2y2 0.001570 0.009345 -0.002288 -0.005092 -0.000295 0.005440 4C 1dxy -0.008947 0.002226 -0.000283 0.002497 -0.004167 0.001929 4C 2dz2 -0.108999 0.591286 0.108476 -0.168748 -0.030298 0.251828 4C 2dxz 0.177332 0.143367 0.036791 0.241080 0.366914 -0.308036 4C 2dyz 0.032893 0.555842 -0.648333 0.002381 0.209011 0.164007 4C 2dx2y2 0.031840 0.157432 0.258542 -0.005193 0.065903 0.067509 4C 2dxy -0.117819 0.230422 -0.024100 0.204373 0.182744 -0.005419 4C 1f0 0.000394 -0.014344 -0.005788 0.005840 0.000405 -0.007956 4C 1f+1 0.007321 -0.023243 -0.000610 -0.002789 -0.005203 -0.002020 4C 1f-1 -0.005217 -0.031009 0.020510 -0.001681 -0.009354 -0.009790 4C 1f+2 -0.009868 0.018596 -0.016583 -0.005995 -0.001321 0.011813 4C 1f-2 0.009004 -0.014131 0.007671 0.000492 -0.003281 -0.003043 4C 1f+3 -0.009487 -0.005510 0.003340 -0.005588 -0.008375 0.006830 4C 1f-3 -0.007275 -0.007450 0.009915 -0.005860 -0.006480 0.002942 5C 1s -0.000252 -0.014402 0.005187 0.001342 0.004112 -0.004024 5C 2s -0.000586 -0.032435 0.010045 0.002982 0.010314 -0.010281 5C 3s 0.003978 -0.239202 0.176550 -0.005223 0.020178 -0.021084 5C 4s 0.074199 2.369506 -1.219344 -0.147158 -0.510459 0.394857 5C 5s -0.170077 2.427001 -0.087372 -0.006838 -1.175762 0.941317 5C 1pz -0.023011 -0.078884 -0.061000 0.008326 -0.003340 0.008484 5C 1px -0.016874 -0.057530 0.012466 -0.019976 0.025828 -0.049103 5C 1py -0.023596 0.067728 -0.103922 0.006278 -0.002693 0.007077 5C 2pz -0.035999 -0.594459 0.116380 -0.099742 0.174081 0.036137 5C 2px -0.122084 -0.391183 0.149572 0.282917 -0.199171 -0.422609 5C 2py 0.031888 0.941559 -0.415295 0.064262 -0.208321 -0.019573 5C 3pz 0.083891 -0.301765 -0.116878 -0.046591 -0.553984 0.423137 5C 3px 0.545139 -0.166050 0.011844 -0.439818 0.171896 0.464048 5C 3py -0.544829 0.304998 -0.697888 0.251841 0.811885 -0.324384 5C 1dz2 0.001841 -0.001953 0.004474 0.002488 0.001999 0.003230 5C 1dxz -0.003460 -0.003434 0.005349 -0.000478 -0.003545 0.001621 5C 1dyz 0.002915 0.001160 -0.002237 0.001501 -0.003447 -0.006068 5C 1dx2y2 0.002899 0.011729 -0.004188 -0.001903 -0.001612 0.004365 5C 1dxy -0.005221 0.003389 0.000875 -0.004026 -0.003073 0.002145 5C 2dz2 0.346936 -0.086277 0.462395 -0.047726 0.149537 0.000886 5C 2dxz -0.300194 0.199223 0.176861 0.025384 -0.154135 -0.021268 5C 2dyz -0.070808 -0.781513 0.116809 0.139898 0.038061 -0.293460 5C 2dx2y2 -0.040453 -0.193759 0.352917 0.129721 -0.086667 -0.049216 5C 2dxy -0.238036 -0.339063 0.138555 -0.332343 0.309023 0.288636 5C 1f0 0.005550 0.015334 -0.008322 0.004814 -0.006910 -0.003143 5C 1f+1 -0.003034 -0.007503 -0.001470 -0.004903 0.003882 0.003820 5C 1f-1 -0.001473 0.006079 0.010163 -0.000772 -0.001669 0.002627 5C 1f+2 -0.002977 0.023116 -0.007455 -0.005964 0.000063 0.011143 5C 1f-2 0.008145 0.025674 -0.011657 -0.003136 -0.000215 0.009475 5C 1f+3 0.005971 -0.024528 0.016905 -0.005847 0.012072 0.001940 5C 1f-3 -0.006068 0.009521 -0.016836 -0.001312 0.000170 0.008541 6C 1s -0.000188 -0.014490 0.005236 0.001545 0.003991 0.004346 6C 2s -0.000414 -0.032688 0.010217 0.003494 0.010018 0.011119 6C 3s 0.002989 -0.237372 0.172571 -0.004442 0.018748 0.021244 6C 4s 0.072748 2.365932 -1.198661 -0.166003 -0.490089 -0.427038 6C 5s -0.186250 2.427428 -0.092378 -0.045854 -1.141210 -1.015849 6C 1pz 0.023242 0.078486 0.061902 -0.007987 0.003177 0.009671 6C 1px 0.016858 0.058457 -0.012577 0.018650 -0.023899 -0.050499 6C 1py 0.023652 -0.067056 0.102991 -0.006052 0.002315 0.006505 6C 2pz 0.036080 0.593763 -0.114048 0.099121 -0.175809 0.027946 6C 2px 0.117682 0.395976 -0.149389 -0.296760 0.216210 -0.404672 6C 2py -0.033761 -0.938777 0.412875 -0.062661 0.208594 -0.011133 6C 3pz -0.083979 0.297532 0.114243 0.065111 0.529155 0.483697 6C 3px -0.546515 0.163022 -0.011610 0.456264 -0.194940 0.470557 6C 3py 0.540974 -0.297692 0.707762 -0.271643 -0.789222 -0.412940 6C 1dz2 0.001866 -0.001927 0.004421 0.002418 0.002112 -0.003196 6C 1dxz -0.003472 -0.003364 0.005304 -0.000515 -0.003516 -0.001660 6C 1dyz 0.002962 0.001178 -0.002302 0.001699 -0.003700 0.005797 6C 1dx2y2 0.002874 0.011728 -0.004105 -0.002082 -0.001374 -0.004475 6C 1dxy -0.005305 0.003334 0.000973 -0.004111 -0.002931 -0.002152 6C 2dz2 0.345755 -0.082576 0.463018 -0.047728 0.150096 0.008193 6C 2dxz -0.304599 0.197735 0.178122 0.026611 -0.154634 0.019206 6C 2dyz -0.067362 -0.784066 0.113966 0.151222 0.027517 0.292199 6C 2dx2y2 -0.042465 -0.191165 0.353461 0.130044 -0.090140 0.040590 6C 2dxy -0.242645 -0.337531 0.136872 -0.339277 0.320326 -0.265019 6C 1f0 -0.005593 -0.015241 0.008257 -0.004889 0.006987 -0.002665 6C 1f+1 0.003116 0.007441 0.001619 0.004978 -0.004069 0.003484 6C 1f-1 0.001493 -0.006078 -0.010232 0.000865 0.001565 0.002607 6C 1f+2 0.003029 -0.023072 0.007232 0.006343 -0.000522 0.010958 6C 1f-2 -0.008132 -0.025824 0.011507 0.003513 -0.000100 0.009515 6C 1f+3 -0.005911 0.024438 -0.016697 0.005804 -0.012157 0.001168 6C 1f-3 0.006008 -0.009385 0.016596 0.001599 -0.000470 0.008580 7C 1s 0.000654 -0.012750 0.008696 0.001080 -0.004297 0.008598 7C 2s 0.001518 -0.027650 0.020080 0.002135 -0.011063 0.022453 7C 3s 0.025995 -0.278722 0.118759 0.009712 -0.017186 -0.019197 7C 4s -0.140053 2.357135 -1.432733 -0.210049 0.434983 -0.589224 7C 5s -0.852879 1.805449 -1.440420 0.103705 1.372130 -1.407810 7C 1pz 0.018721 0.115728 -0.002421 -0.005275 0.015221 0.002284 7C 1px -0.062852 0.056046 0.024150 0.013367 0.022560 -0.055643 7C 1py -0.010838 0.012863 -0.109629 0.017829 0.008315 -0.010486 7C 2pz 0.142302 0.891781 -0.549306 0.103015 0.361358 -0.028160 7C 2px -0.429177 0.217504 -0.034153 -0.293646 -0.231075 -0.407050 7C 2py -0.060496 0.527829 -0.457703 -0.043462 0.113186 -0.138320 7C 3pz 0.038145 0.759011 0.838631 0.216520 -0.491213 0.675501 7C 3px -0.251401 0.253807 0.205189 0.415809 0.355239 0.481052 7C 3py 0.002470 0.105151 0.162749 0.338578 -0.313438 0.294466 7C 1dz2 0.004963 -0.005996 0.006504 0.002168 -0.002234 -0.003533 7C 1dxz -0.007311 -0.003485 0.006416 0.001396 0.003122 0.001769 7C 1dyz 0.001611 -0.002833 0.000839 -0.001487 -0.001221 -0.000388 7C 1dx2y2 0.001295 0.009522 -0.002344 -0.005342 -0.000121 -0.005397 7C 1dxy -0.008915 0.002313 -0.000295 0.002408 -0.004084 -0.002211 7C 2dz2 -0.111261 0.593662 0.112863 -0.175738 -0.019643 -0.237687 7C 2dxz 0.176936 0.139885 0.038634 0.247155 0.351670 0.318369 7C 2dyz 0.027273 0.558114 -0.649060 -0.005001 0.213243 -0.149977 7C 2dx2y2 0.030329 0.153124 0.258102 -0.009379 0.067059 -0.071391 7C 2dxy -0.111544 0.233192 -0.024581 0.208278 0.187182 0.015975 7C 1f0 -0.000457 0.014231 0.005841 -0.006023 -0.000106 -0.007510 7C 1f+1 -0.007459 0.023210 0.000464 0.002700 0.005254 -0.001633 7C 1f-1 0.004977 0.031297 -0.020513 0.001305 0.009749 -0.008959 7C 1f+2 0.010145 -0.018898 0.016884 0.006332 0.000844 0.011421 7C 1f-2 -0.009302 0.014157 -0.007563 -0.000633 0.003356 -0.002841 7C 1f+3 0.009422 0.005561 -0.003321 0.005741 0.008109 0.006970 7C 1f-3 0.007217 0.007572 -0.010267 0.005893 0.006357 0.003100 8C 1s -0.000247 0.007082 -0.004996 0.001147 -0.000493 -0.000114 8C 2s -0.000968 0.010758 -0.010541 0.003318 0.000169 0.001448 8C 3s 0.010855 0.238160 -0.070982 -0.031101 -0.055514 -0.049582 8C 4s -0.021069 -1.555094 0.702508 0.106200 0.229053 0.200914 8C 5s 0.600012 -1.367502 0.184191 -0.594204 0.010359 -0.302038 8C 1pz 0.003008 0.019518 -0.060294 0.012917 -0.034978 0.032961 8C 1px 0.029092 0.042195 -0.043647 -0.063354 0.028790 -0.049762 8C 1py 0.024956 -0.126173 0.027887 -0.010419 0.000188 0.023531 8C 2pz 0.206087 0.582337 -0.059415 -0.085394 -0.030108 -0.153986 8C 2px 0.227908 0.522949 -0.211610 0.369334 -0.367887 0.419576 8C 2py 0.133188 -1.137626 0.577369 0.107386 0.141055 0.287980 8C 3pz -0.059068 0.238762 -0.357311 0.267974 -0.258038 0.071622 8C 3px 0.322533 0.351193 -0.303754 -0.392068 0.551010 -0.322322 8C 3py 0.231742 -0.914467 0.117076 -0.124820 0.199804 -0.043897 8C 1dz2 -0.001093 -0.006278 -0.010517 -0.000677 0.003248 0.005555 8C 1dxz 0.000023 0.001744 -0.005518 0.005732 -0.005775 0.007301 8C 1dyz -0.000427 -0.002185 0.005627 0.003186 -0.001788 -0.000393 8C 1dx2y2 -0.000058 -0.008902 -0.000759 0.004260 -0.004118 0.003750 8C 1dxy 0.003075 -0.004590 0.002873 -0.005991 0.004434 0.003198 8C 2dz2 -0.045618 0.276298 0.154555 -0.164562 0.109972 -0.213864 8C 2dxz 0.420724 -0.083519 0.260552 0.419802 -0.313071 0.631657 8C 2dyz -0.115150 0.702905 -0.710317 0.248191 -0.334077 0.203376 8C 2dx2y2 0.307885 0.523148 0.248727 0.166723 -0.282648 0.150821 8C 2dxy 0.215364 0.377144 -0.046664 -0.292521 0.213232 -0.333149 8C 1f0 -0.019903 -0.026252 -0.009454 -0.001009 0.004839 -0.000569 8C 1f+1 0.003644 0.003347 -0.011092 0.013188 -0.009336 0.018363 8C 1f-1 0.016601 -0.007423 0.023426 0.003072 0.000317 0.006492 8C 1f+2 0.004770 -0.004033 0.001771 0.005777 -0.002028 0.002389 8C 1f-2 -0.002466 -0.010684 0.011220 -0.006508 0.007317 -0.006198 8C 1f+3 -0.017479 0.019516 -0.020934 -0.014229 0.006105 -0.020333 8C 1f-3 -0.008287 -0.020210 0.010894 -0.018937 0.016531 -0.020946 9C 1s -0.000115 0.008268 -0.002460 0.001250 0.001016 0.000083 9C 2s -0.000094 0.014963 -0.001465 0.003464 0.000467 0.002921 9C 3s -0.011641 0.195788 -0.165579 -0.031772 0.078721 -0.076044 9C 4s 0.049115 -1.467082 0.901399 0.117368 -0.365365 0.303400 9C 5s 0.406161 -1.154629 -0.076874 -0.747286 -0.441165 -0.291792 9C 1pz -0.027494 0.092215 -0.071998 -0.002846 0.039673 -0.006739 9C 1px 0.016761 0.039953 -0.037165 -0.050744 -0.051493 -0.071350 9C 1py 0.015966 0.086914 0.011434 0.008278 -0.011557 -0.015434 9C 2pz -0.126482 1.102537 -0.581897 -0.106497 0.173402 -0.366617 9C 2px -0.009702 0.390837 -0.103069 0.312438 0.347735 0.393076 9C 2py 0.123139 0.557857 -0.569181 0.040229 0.267744 -0.050300 9C 3pz -0.197693 0.618854 -0.381799 0.315785 0.310844 -0.033580 9C 3px 0.088311 0.295638 -0.206587 -0.515308 -0.517128 -0.533830 9C 3py 0.053945 0.665317 0.029875 -0.045733 0.164443 0.035330 9C 1dz2 -0.001228 -0.000051 -0.011486 -0.001383 -0.003977 0.002431 9C 1dxz -0.000289 0.003404 -0.004357 0.006326 0.006297 0.001362 9C 1dyz 0.000084 0.008878 0.001387 -0.002264 0.002083 -0.005977 9C 1dx2y2 -0.001088 -0.007012 -0.004704 -0.001279 -0.000895 -0.001765 9C 1dxy 0.001751 -0.001015 -0.003349 0.005807 0.005158 0.000552 9C 2dz2 -0.036078 -0.201873 0.594334 -0.206058 -0.246165 -0.097860 9C 2dxz -0.133901 0.161057 0.406852 0.407129 0.353714 0.556657 9C 2dyz -0.011007 -0.931824 0.291964 -0.089334 -0.304804 -0.037791 9C 2dx2y2 -0.170871 0.317901 0.158827 -0.166970 -0.032907 -0.304577 9C 2dxy 0.179557 -0.314414 -0.043809 0.306943 0.235920 0.440420 9C 1f0 0.011825 -0.008766 -0.018870 0.012619 0.013837 0.021276 9C 1f+1 -0.007735 0.021772 0.001606 0.002186 0.003634 -0.002091 9C 1f-1 -0.003305 0.027475 -0.016143 -0.009035 0.000603 -0.012597 9C 1f+2 0.001280 -0.017512 -0.002656 -0.009048 -0.012128 -0.013929 9C 1f-2 0.001156 -0.010280 -0.007638 -0.007644 -0.005177 -0.006619 9C 1f+3 0.006718 0.007232 -0.022238 0.001679 0.006237 -0.002181 9C 1f-3 -0.000995 0.020042 0.000445 0.011246 0.011242 0.013222 10H 1s 0.001061 0.000886 -0.015076 -0.011153 -0.001306 0.016586 10H 2s 0.068989 0.174680 0.118418 0.526660 0.517580 -0.851240 10H 3s -0.044109 -0.052876 0.004627 -0.348879 -0.389498 0.453233 10H 1pz -0.012620 0.015234 0.023898 0.045648 0.053057 -0.054173 10H 1px -0.002023 -0.006075 -0.007947 -0.022688 -0.027534 0.059901 10H 1py -0.000602 -0.001606 0.001095 0.030595 0.020425 -0.030127 11H 1s -0.012005 0.034593 -0.009224 0.006410 0.009613 0.012888 11H 2s 0.281110 -0.750768 -0.250151 -0.108928 -0.168619 0.131466 11H 3s -0.047931 0.043474 0.244540 0.164102 0.263221 -0.313716 11H 1pz 0.014288 -0.054686 -0.041155 -0.027662 -0.023271 0.011500 11H 1px 0.021038 -0.036751 -0.021248 -0.011414 -0.012782 0.009659 11H 1py -0.006652 0.025001 -0.000738 0.006069 -0.005672 -0.003449 12H 1s 0.010312 0.013625 -0.023870 0.015459 0.020176 0.000447 12H 2s -0.380923 0.024136 0.444227 -0.354236 -0.323025 0.553003 12H 3s -0.015184 -0.246275 -0.064470 0.397713 0.177668 -0.337852 12H 1pz 0.004939 0.017049 0.009959 -0.022245 -0.008045 0.002775 12H 1px -0.007957 0.007040 0.018141 -0.019125 -0.027464 0.029892 12H 1py -0.021361 0.013061 0.057198 -0.038376 -0.044283 0.043980 13H 1s -0.004471 0.011782 0.009790 -0.014169 0.003020 0.014876 13H 2s 0.188660 0.049684 -0.223922 0.567988 -0.440125 -0.874364 13H 3s 0.051261 -0.011215 0.115089 -0.283146 0.435402 0.408213 13H 1pz 0.015615 -0.002495 -0.012313 0.040606 -0.038616 -0.064251 13H 1px -0.003294 0.001658 0.012620 -0.023921 0.004862 0.043232 13H 1py 0.007653 0.003380 0.023957 -0.046933 0.038140 0.041026 14H 1s 0.029501 0.024468 0.002376 0.017873 -0.022045 -0.015365 14H 2s -0.712387 -0.273706 -0.189814 -0.450002 0.384178 0.762874 14H 3s -0.070486 0.013583 0.287133 0.260756 -0.335489 -0.402826 14H 1pz -0.036149 -0.025020 -0.023727 -0.031580 0.023217 0.033129 14H 1px -0.053074 -0.027072 -0.030333 -0.053205 0.034319 0.057579 14H 1py 0.002103 0.003020 0.021231 0.014988 -0.025972 -0.005024 15H 1s -0.014096 0.031217 -0.021230 0.003558 -0.006025 0.016036 15H 2s 0.485693 -0.310937 0.718795 -0.074816 0.050324 0.007145 15H 3s -0.118719 -0.145818 -0.120871 0.199810 -0.077394 -0.129418 15H 1pz -0.020029 0.020835 -0.026598 -0.001496 -0.004661 -0.003365 15H 1px 0.015242 0.001669 0.012716 -0.005232 -0.002830 0.002248 15H 1py -0.036395 0.004444 -0.070989 0.017577 -0.020993 -0.009868 16H 1s 0.009257 0.009188 -0.009605 -0.005466 -0.008241 -0.012941 16H 2s 0.012328 0.001068 -0.039534 0.015926 0.045854 0.066413 16H 3s -0.244578 0.021354 0.058212 -0.007326 -0.029831 -0.077466 16H 1pz -0.012472 -0.016732 0.017488 0.011027 0.019330 0.020378 16H 1px -0.041717 0.014007 0.000500 -0.004505 0.001189 -0.030401 16H 1py -0.012795 0.033557 -0.020044 0.007656 -0.008129 -0.024137 17H 1s -0.003764 0.009304 -0.005239 0.002994 -0.008933 -0.010657 17H 2s 0.015957 -0.001366 -0.069971 -0.007586 0.060263 0.061127 17H 3s -0.013189 -0.014601 -0.008218 0.000674 0.021665 -0.069894 17H 1pz -0.003830 0.018756 -0.009811 0.009291 -0.023743 0.000815 17H 1px 0.000234 0.018864 -0.010699 0.008295 -0.012825 -0.020773 17H 1py 0.000150 0.031384 -0.022795 -0.000503 -0.007726 -0.007420 18H 1s -0.003762 0.009022 -0.005110 0.002862 -0.009404 0.010470 18H 2s 0.015325 -0.001205 -0.070421 -0.009157 0.060819 -0.059055 18H 3s -0.005284 -0.016525 -0.007894 0.002844 0.018387 0.070776 18H 1pz 0.004408 -0.018726 0.009414 -0.008852 0.023449 0.002333 18H 1px -0.001304 -0.018103 0.010335 -0.008109 0.013528 -0.020801 18H 1py -0.000640 -0.032676 0.023388 0.000437 0.009065 -0.008196 19H 1s 0.009480 0.009328 -0.009534 -0.005347 -0.008757 0.012669 19H 2s 0.011168 0.002827 -0.038274 0.014357 0.047645 -0.065573 19H 3s -0.242326 0.020376 0.058816 -0.004880 -0.032655 0.075434 19H 1pz 0.012502 0.017815 -0.018004 -0.010612 -0.020035 0.021110 19H 1px 0.041313 -0.012889 -0.000942 0.003771 0.000092 -0.029868 19H 1py 0.013720 -0.033507 0.019809 -0.008374 0.007889 -0.024815 20H 1s -0.014606 0.031274 -0.021301 0.003043 -0.005695 -0.016564 20H 2s 0.490143 -0.307995 0.719942 -0.076597 0.055750 -0.006947 20H 3s -0.116176 -0.146779 -0.124992 0.210055 -0.086250 0.124098 20H 1pz 0.020228 -0.020671 0.026742 0.001520 0.005154 -0.003612 20H 1px -0.015629 -0.001687 -0.012865 0.005625 0.002315 0.002579 20H 1py 0.036387 -0.004253 0.071201 -0.018192 0.022094 -0.008495 21H 1s 0.029866 0.024743 0.002216 0.018176 -0.022593 0.013496 21H 2s -0.720830 -0.282584 -0.190490 -0.465679 0.413842 -0.725887 21H 3s -0.068948 0.013340 0.286272 0.271560 -0.353834 0.383281 21H 1pz 0.036704 0.025819 0.024085 0.032586 -0.024720 0.031061 21H 1px 0.053452 0.027658 0.030380 0.054332 -0.036481 0.053965 21H 1py -0.002043 -0.003040 -0.021209 -0.014861 0.026033 -0.003392 22H 1s -0.004625 0.011452 0.010021 -0.014430 0.003759 -0.014247 22H 2s 0.193435 0.054186 -0.229125 0.591284 -0.481441 0.836804 22H 3s 0.046949 -0.011419 0.112452 -0.295402 0.451792 -0.381068 22H 1pz -0.016278 0.002105 0.012174 -0.042057 0.041495 -0.061030 22H 1px 0.003597 -0.001610 -0.012855 0.025048 -0.006962 0.042597 22H 1py -0.007293 -0.003206 -0.024204 0.048233 -0.040148 0.038264 23H 1s 0.009667 0.013586 -0.023799 0.014979 0.019774 -0.000696 23H 2s -0.368728 0.032495 0.448363 -0.359273 -0.288500 -0.531714 23H 3s -0.009236 -0.252271 -0.062755 0.404355 0.164371 0.327816 23H 1pz -0.004747 -0.017058 -0.009607 0.021872 0.007631 0.002201 23H 1px 0.007313 -0.007405 -0.017715 0.019307 0.025054 0.029563 23H 1py 0.020857 -0.014088 -0.057642 0.039060 0.042033 0.043183 24H 1s -0.011918 0.034714 -0.008763 0.006417 0.010660 -0.012087 24H 2s 0.275630 -0.749477 -0.254236 -0.121423 -0.170675 -0.151529 24H 3s -0.042895 0.041558 0.249873 0.178275 0.257311 0.324265 24H 1pz -0.014119 0.054712 0.041659 0.028682 0.023704 0.012509 24H 1px -0.020813 0.037242 0.021531 0.013030 0.013127 0.011496 24H 1py 0.006360 -0.024409 0.001007 -0.005943 0.006296 -0.003087 25H 1s 0.001168 0.001073 -0.015244 -0.011446 -0.000406 -0.015136 25H 2s 0.069902 0.160879 0.121488 0.551017 0.479463 0.846090 25H 3s -0.046948 -0.047386 0.008703 -0.359600 -0.372372 -0.465058 25H 1pz 0.012216 -0.014054 -0.023710 -0.047264 -0.050846 -0.055037 25H 1px 0.002139 0.004958 0.007652 0.024701 0.024425 0.059894 25H 1py 0.000682 0.002427 -0.000617 -0.031265 -0.018872 -0.028948 26O 1s -0.005269 0.001639 0.003423 0.002871 0.000131 -0.002567 26O 2s -0.007800 0.003716 0.005532 0.001570 -0.003917 -0.002871 26O 3s -0.078166 0.005604 0.042586 0.098413 0.083022 -0.062505 26O 4s 0.684269 -0.034454 -0.445168 -0.605896 -0.352748 0.521801 26O 5s -2.077294 -0.402217 1.527320 0.654612 -0.333473 -1.302095 26O 1pz -0.045499 -0.023083 0.013752 -0.010853 -0.012325 0.025121 26O 1px 0.057225 -0.004346 -0.019322 -0.003272 0.006614 0.007077 26O 1py -0.002094 0.002500 -0.005452 -0.002104 0.009708 0.007007 26O 2pz 0.006946 -0.053529 -0.044884 -0.156861 -0.143667 0.093039 26O 2px 0.098040 0.037586 -0.068810 0.093602 0.121650 0.030092 26O 2py 0.056463 0.058272 0.036026 -0.037458 -0.026091 0.037816 26O 3pz -0.519721 0.110017 0.456597 0.420691 0.138072 -0.471491 26O 3px -0.109486 0.330072 -0.166048 0.102626 0.258432 -0.531409 26O 3py -0.115844 -0.020279 -0.136218 0.189793 0.250020 -0.427146 26O 1dz2 0.000488 0.001680 0.000016 -0.000131 -0.001654 0.004977 26O 1dxz -0.002972 -0.002300 0.001092 -0.002313 -0.004915 0.004543 26O 1dyz 0.002465 0.001907 -0.002708 -0.001540 -0.000403 0.007211 26O 1dx2y2 -0.001491 0.000929 -0.002995 0.002039 0.001442 -0.002879 26O 1dxy 0.002822 0.002377 0.000514 -0.001106 0.000864 0.001105 26O 2dz2 0.042635 0.031478 -0.041216 -0.081809 -0.020289 0.003751 26O 2dxz -0.034760 -0.027956 -0.006622 0.010873 -0.008584 0.022920 26O 2dyz 0.055860 0.015628 -0.022276 -0.095738 -0.143042 0.012345 26O 2dx2y2 -0.028998 -0.005577 -0.019432 -0.005826 -0.017793 0.007100 26O 2dxy 0.000411 -0.003823 0.015906 -0.070037 -0.012602 0.025346 26O 1f0 0.001231 0.000906 -0.000690 -0.000126 0.000326 -0.000939 26O 1f+1 -0.000856 -0.004259 -0.000306 -0.001081 -0.002653 -0.000248 26O 1f-1 0.000009 -0.001979 -0.001076 -0.004468 -0.004916 -0.000835 26O 1f+2 -0.001794 -0.000235 -0.000875 0.002107 -0.000119 0.002042 26O 1f-2 -0.002412 -0.000651 0.001407 -0.001770 -0.001894 0.001231 26O 1f+3 -0.000592 0.000005 0.003264 -0.002417 -0.001649 0.000551 26O 1f-3 0.000340 -0.002060 0.001670 -0.001521 -0.001186 -0.000686 27O 1s -0.002738 0.000451 -0.002560 0.003852 0.001187 -0.001991 27O 2s -0.004892 0.001335 -0.005549 0.003708 0.006415 -0.001688 27O 3s -0.028413 -0.002779 -0.009580 0.100332 -0.072043 -0.058592 27O 4s 0.268179 0.074027 0.144650 -0.657881 0.222132 0.443824 27O 5s -0.384994 -0.674166 -0.208559 0.738829 0.665598 -0.887000 27O 1pz 0.030217 -0.003522 -0.007603 0.003317 0.000040 -0.006858 27O 1px -0.003754 0.000912 0.012227 -0.000462 -0.005747 -0.001746 27O 1py 0.024851 0.017882 -0.021044 0.013814 -0.006800 -0.031911 27O 2pz 0.027026 -0.051686 -0.079380 -0.097730 0.066056 0.010412 27O 2px -0.058256 0.029910 -0.043022 0.088171 -0.109798 0.024728 27O 2py -0.003906 0.020664 -0.052543 0.138899 -0.119395 -0.109300 27O 3pz 0.427835 0.004429 0.161568 0.313992 0.095433 -0.219134 27O 3px 0.209314 0.411357 -0.078943 0.135262 -0.350365 -0.759719 27O 3py 0.390096 -0.062027 0.182696 -0.330865 0.175993 0.465442 27O 1dz2 -0.000488 -0.001521 0.001937 0.000862 0.001922 0.000268 27O 1dxz 0.006056 -0.003367 -0.002922 0.000276 0.002569 0.001022 27O 1dyz -0.001303 -0.002866 0.001672 -0.000600 0.001052 -0.004030 27O 1dx2y2 0.002933 0.000739 -0.000280 0.002404 -0.001959 -0.007057 27O 1dxy 0.003707 -0.000430 -0.002060 0.003798 -0.001873 -0.006376 27O 2dz2 -0.051491 -0.007409 0.003299 0.012682 -0.078887 -0.013119 27O 2dxz 0.028805 -0.026703 -0.018367 0.021709 0.022920 -0.003864 27O 2dyz -0.015171 -0.016953 0.027301 0.133011 -0.099541 -0.007050 27O 2dx2y2 -0.006471 -0.027524 0.003126 0.015091 -0.036102 0.006776 27O 2dxy 0.010629 0.001164 -0.021084 0.071418 -0.020005 -0.038482 27O 1f0 -0.001950 0.001590 0.001857 0.002837 -0.003972 -0.000403 27O 1f+1 -0.000171 -0.002298 -0.000588 -0.000672 0.001557 -0.001183 27O 1f-1 0.000222 0.000360 0.000422 0.000103 -0.000950 0.001016 27O 1f+2 0.001134 -0.001354 -0.000991 0.002803 -0.001844 0.000863 27O 1f-2 -0.001169 0.002112 0.001272 0.001045 -0.001889 0.000960 27O 1f+3 0.000228 -0.002506 0.004377 -0.004886 0.003700 0.000718 27O 1f-3 -0.001023 0.000186 -0.000437 0.000976 -0.000189 0.001771 28O 1s 0.005405 0.002223 0.002024 -0.001560 -0.006254 0.000316 28O 2s 0.008738 0.005071 0.003787 0.000350 -0.009583 -0.000540 28O 3s 0.062758 0.005808 0.016109 -0.076267 -0.092868 0.033064 28O 4s -0.625822 -0.055874 -0.233791 0.398876 0.749072 -0.193394 28O 5s 2.427457 -0.526027 0.895637 -0.001867 -1.097116 -0.742551 28O 1pz 0.014142 -0.014549 -0.007204 0.010929 0.013337 -0.004496 28O 1px 0.081125 -0.027384 0.002444 0.009054 0.001170 -0.040118 28O 1py 0.006587 0.004444 0.008238 -0.001473 0.004567 0.002725 28O 2pz -0.071108 -0.022536 -0.046678 0.086603 0.074896 -0.027669 28O 2px 0.137384 -0.131163 -0.009117 0.162167 0.145485 -0.117049 28O 2py -0.040506 0.046828 0.094150 0.066518 0.117507 -0.022662 28O 3pz 0.221004 0.338755 0.004768 -0.511302 -0.406314 1.026765 28O 3px 0.288289 -0.070728 0.330540 0.059329 -0.114414 -0.805555 28O 3py 0.127165 -0.164026 -0.057126 -0.105515 -0.475568 0.353578 28O 1dz2 0.000781 -0.000950 -0.001900 0.000816 0.003009 -0.005781 28O 1dxz -0.000264 0.000234 0.002189 0.000924 0.000773 -0.005839 28O 1dyz -0.004837 0.003560 0.001469 0.000595 0.000152 -0.003657 28O 1dx2y2 -0.001908 0.002604 -0.000852 -0.002924 -0.000512 0.006905 28O 1dxy -0.000012 0.000680 -0.005156 -0.000967 0.000711 -0.001005 28O 2dz2 -0.012642 -0.000853 -0.023544 0.043527 0.035403 -0.011378 28O 2dxz -0.068744 0.028355 0.004531 0.031673 -0.012216 0.037705 28O 2dyz -0.046631 0.011090 0.011101 0.112326 0.115033 -0.000884 28O 2dx2y2 -0.007038 0.002028 0.002961 0.047434 -0.004142 -0.007588 28O 2dxy -0.035567 0.010470 -0.023518 0.024608 0.087227 0.007640 28O 1f0 0.002305 -0.004683 -0.002709 0.001182 0.002105 -0.001720 28O 1f+1 -0.002024 0.001131 0.000909 0.000355 0.001132 0.001639 28O 1f-1 0.001315 -0.000788 0.000976 0.004734 0.004768 -0.000801 28O 1f+2 -0.001210 0.002769 -0.002032 -0.004359 -0.003569 0.000878 28O 1f-2 -0.001065 -0.000414 -0.002529 0.002118 0.002896 0.000185 28O 1f+3 -0.001039 0.000935 -0.002439 -0.000858 -0.000416 0.001107 28O 1f-3 0.000169 -0.000521 -0.000971 -0.000683 -0.000673 0.000977 29O 1s 0.000802 -0.001003 0.001321 0.000169 0.000137 -0.013300 29O 2s 0.002738 -0.002033 0.002328 0.000468 -0.000164 -0.030396 29O 3s -0.017735 -0.001449 0.011413 -0.000973 0.012175 0.001414 29O 4s 0.047187 0.011947 -0.102974 -0.001122 -0.042981 0.652869 29O 5s -0.082060 0.114165 0.182287 -0.012090 -0.017977 -1.844321 29O 1pz -0.000819 -0.001750 -0.004176 -0.022857 -0.002042 0.022545 29O 1px -0.004597 -0.012262 0.006568 -0.002794 0.005009 -0.044225 29O 1py -0.008677 -0.008204 0.003922 0.003163 -0.019521 0.001907 29O 2pz -0.006860 0.009695 -0.009534 0.011128 0.006304 0.044350 29O 2px -0.022038 -0.038465 0.036909 0.004824 -0.007529 -0.102070 29O 2py -0.023894 -0.017453 0.015991 0.001536 0.008175 0.025878 29O 3pz 0.020016 0.013384 0.041120 0.023802 -0.007725 -0.296264 29O 3px 0.165496 -0.017470 -0.054153 0.004925 -0.030920 0.754845 29O 3py 0.176599 0.007820 -0.092609 -0.009830 0.077494 0.072177 29O 1dz2 -0.000526 0.002159 -0.001809 0.000156 -0.000459 0.001237 29O 1dxz 0.001853 0.002007 -0.002012 0.000313 0.000124 0.001719 29O 1dyz 0.000381 0.000116 0.000160 0.000714 0.000223 -0.000082 29O 1dx2y2 -0.000423 -0.002647 0.000878 0.000259 -0.000456 -0.001443 29O 1dxy 0.001409 -0.000696 0.000377 0.000154 -0.000172 0.000211 29O 2dz2 0.017772 0.019857 -0.004594 0.013496 -0.022882 -0.009275 29O 2dxz -0.016905 -0.019727 0.020986 -0.028799 -0.029889 0.045087 29O 2dyz -0.001868 -0.015979 0.007223 -0.028260 0.010598 0.018141 29O 2dx2y2 0.002256 0.079987 -0.039077 -0.006057 0.002199 -0.059871 29O 2dxy 0.006541 0.015943 -0.016359 0.003105 -0.030853 -0.014234 29O 1f0 -0.001533 -0.000559 0.001073 -0.000242 0.001036 0.001582 29O 1f+1 -0.000718 0.000018 -0.000344 -0.000927 -0.000715 -0.000298 29O 1f-1 -0.001409 -0.001040 0.000628 0.000427 0.001081 0.001838 29O 1f+2 0.002086 0.000833 -0.001035 0.000328 -0.000007 -0.001453 29O 1f-2 0.000856 -0.000223 -0.000093 0.000013 0.000707 0.000135 29O 1f+3 0.000388 0.002054 -0.000447 -0.000282 0.000227 -0.001098 29O 1f-3 -0.002761 0.001095 0.000118 0.000401 -0.001568 -0.001158 30O 1s -0.002029 0.000303 -0.001415 -0.002386 0.005879 0.000587 30O 2s -0.004111 0.001853 -0.002757 -0.001545 0.008377 -0.000422 30O 3s -0.010367 -0.018438 -0.013590 -0.076093 0.099500 0.043145 30O 4s 0.175617 0.167179 0.098260 0.434599 -0.783199 -0.268592 30O 5s -0.629046 -1.015555 0.135940 -0.034991 1.436733 -0.409279 30O 1pz -0.041235 0.007452 -0.006798 -0.007541 -0.000363 0.015056 30O 1px -0.029846 -0.027655 0.009499 0.004727 0.005762 -0.028775 30O 1py -0.048557 0.007607 -0.011227 -0.013719 0.017315 0.012191 30O 2pz -0.041787 -0.004151 -0.128368 0.018506 -0.019069 0.030493 30O 2px -0.069311 -0.091913 0.057666 0.172954 -0.145449 -0.106813 30O 2py -0.079192 -0.026043 -0.037360 -0.087799 0.128885 0.048287 30O 3pz -0.508840 0.163163 0.340668 -0.356606 0.137787 0.647553 30O 3px -0.065475 -0.222040 0.042179 0.005342 0.345324 -0.576653 30O 3py 0.112120 -0.039408 0.176011 0.346577 -0.555612 -0.880730 30O 1dz2 -0.006455 -0.003769 -0.001133 -0.000841 -0.000733 0.000183 30O 1dxz 0.004995 0.000411 0.001801 0.001509 -0.000262 -0.005033 30O 1dyz 0.000694 -0.002624 0.001804 0.000913 0.002226 0.002368 30O 1dx2y2 -0.000764 0.001784 -0.000500 -0.003614 0.001318 0.007584 30O 1dxy 0.003460 -0.000576 0.002616 0.000226 0.000208 0.004381 30O 2dz2 0.022009 -0.032805 -0.017081 -0.050353 0.046579 0.000747 30O 2dxz 0.061271 0.012732 -0.001112 0.051743 0.022324 0.022318 30O 2dyz -0.006479 -0.002547 -0.001076 -0.121883 0.102557 0.023746 30O 2dx2y2 0.021780 -0.010254 -0.006807 0.006646 0.021671 0.007225 30O 2dxy 0.039058 -0.024957 0.017815 -0.033895 0.085879 -0.028439 30O 1f0 -0.001549 -0.001683 -0.001217 -0.002073 0.001654 -0.000435 30O 1f+1 0.003757 0.000596 0.001279 -0.000928 0.000493 0.000165 30O 1f-1 0.002406 0.002136 0.003036 0.000552 0.001108 -0.000676 30O 1f+2 0.000991 0.002780 -0.001489 -0.004571 0.003848 0.002764 30O 1f-2 -0.000773 0.000750 -0.001529 -0.003760 0.003915 0.000538 30O 1f+3 -0.001628 0.000754 -0.001767 0.001109 -0.002411 0.001055 30O 1f-3 0.000662 0.002488 -0.003031 -0.002130 0.001388 0.001117 31O 1s -0.002012 0.000285 -0.001430 -0.002417 0.005849 -0.000126 31O 2s -0.004069 0.001811 -0.002804 -0.001577 0.008254 0.001104 31O 3s -0.010484 -0.018377 -0.013260 -0.077143 0.100879 -0.035847 31O 4s 0.175115 0.167826 0.097878 0.441689 -0.789418 0.209336 31O 5s -0.618609 -1.025435 0.130713 -0.015774 1.409497 0.529012 31O 1pz 0.041640 -0.007525 0.007232 0.007770 -0.000190 0.014892 31O 1px 0.029799 0.028130 -0.009668 -0.005750 -0.004581 -0.029344 31O 1py 0.048776 -0.006793 0.010868 0.013941 -0.017974 0.010308 31O 2pz 0.041805 0.003850 0.129474 -0.017920 0.018326 0.033282 31O 2px 0.068653 0.092761 -0.057047 -0.176558 0.149485 -0.096698 31O 2py 0.079935 0.028185 0.036916 0.088762 -0.131720 0.037868 31O 3pz 0.519013 -0.165293 -0.347265 0.379078 -0.165912 0.627921 31O 3px 0.060186 0.227239 -0.040436 -0.024164 -0.318646 -0.607612 31O 3py -0.118488 0.037229 -0.171777 -0.375226 0.594548 -0.841336 31O 1dz2 -0.006487 -0.003823 -0.001145 -0.000822 -0.000731 -0.000123 31O 1dxz 0.005057 0.000394 0.001801 0.001656 -0.000487 0.005010 31O 1dyz 0.000706 -0.002646 0.001815 0.000864 0.002340 -0.002206 31O 1dx2y2 -0.000819 0.001790 -0.000487 -0.003824 0.001645 -0.007417 31O 1dxy 0.003439 -0.000526 0.002633 0.000077 0.000402 -0.004428 31O 2dz2 0.021970 -0.032541 -0.017035 -0.050365 0.046724 0.002624 31O 2dxz 0.061330 0.013611 -0.000884 0.050861 0.023303 -0.023230 31O 2dyz -0.006722 -0.002901 -0.000609 -0.122148 0.103418 -0.015552 31O 2dx2y2 0.021926 -0.009849 -0.006693 0.006587 0.021822 -0.006223 31O 2dxy 0.039160 -0.025056 0.017808 -0.032882 0.084942 0.033113 31O 1f0 0.001545 0.001681 0.001256 0.002049 -0.001632 -0.000551 31O 1f+1 -0.003757 -0.000627 -0.001283 0.000937 -0.000508 0.000152 31O 1f-1 -0.002417 -0.002148 -0.003058 -0.000570 -0.001080 -0.000705 31O 1f+2 -0.000959 -0.002790 0.001453 0.004655 -0.003972 0.002481 31O 1f-2 0.000783 -0.000727 0.001484 0.003779 -0.003942 0.000277 31O 1f+3 0.001631 -0.000745 0.001790 -0.001083 0.002356 0.001208 31O 1f-3 -0.000666 -0.002468 0.002986 0.002163 -0.001438 0.000979 32O 1s 0.000877 -0.001081 0.001314 0.000563 -0.000427 0.013338 32O 2s 0.002896 -0.002201 0.002318 0.001347 -0.001453 0.030474 32O 3s -0.017541 -0.001629 0.011263 -0.000538 0.012188 -0.001121 32O 4s 0.042479 0.016720 -0.101948 -0.022428 -0.015398 -0.655268 32O 5s -0.068924 0.101695 0.179991 0.043985 -0.094770 1.846522 32O 1pz 0.000798 0.001414 0.004113 0.023547 0.001129 0.021666 32O 1px 0.004038 0.012189 -0.006470 0.001285 -0.003104 -0.044924 32O 1py 0.008554 0.008190 -0.004035 -0.002988 0.019346 0.002798 32O 2pz 0.007026 -0.009628 0.009543 -0.009709 -0.007699 0.043142 32O 2px 0.020422 0.039399 -0.036931 -0.007579 0.011796 -0.102119 32O 2py 0.024289 0.017425 -0.015943 -0.001919 -0.009348 0.025632 32O 3pz -0.020983 -0.013953 -0.043421 -0.033427 0.019913 -0.292285 32O 3px -0.154661 0.010747 0.053881 0.017057 -0.001946 0.757754 32O 3py -0.175557 -0.008681 0.090839 0.013158 -0.078023 0.070835 32O 1dz2 -0.000578 0.002216 -0.001824 0.000093 -0.000404 -0.001258 32O 1dxz 0.001835 0.002020 -0.002025 0.000246 0.000189 -0.001695 32O 1dyz 0.000415 0.000182 0.000108 0.000732 0.000186 0.000023 32O 1dx2y2 -0.000421 -0.002640 0.000864 0.000270 -0.000515 0.001456 32O 1dxy 0.001423 -0.000670 0.000355 0.000145 -0.000156 -0.000217 32O 2dz2 0.018195 0.020310 -0.005032 0.013858 -0.023013 0.008614 32O 2dxz -0.017645 -0.018915 0.021631 -0.030531 -0.027777 -0.044958 32O 2dyz -0.001578 -0.013786 0.006018 -0.028669 0.009810 -0.016021 32O 2dx2y2 0.002309 0.080433 -0.039136 -0.004224 -0.000218 0.062345 32O 2dxy 0.006074 0.018108 -0.016917 0.003778 -0.032126 0.013218 32O 1f0 0.001484 0.000502 -0.001016 0.000287 -0.001011 0.001393 32O 1f+1 0.000737 -0.000055 0.000340 0.000930 0.000803 -0.000355 32O 1f-1 0.001475 0.001051 -0.000638 -0.000397 -0.001200 0.001851 32O 1f+2 -0.002067 -0.000873 0.001063 -0.000343 0.000145 -0.001515 32O 1f-2 -0.000922 0.000212 0.000123 -0.000048 -0.000692 0.000090 32O 1f+3 -0.000468 -0.002008 0.000444 0.000306 -0.000229 -0.001104 32O 1f-3 0.002768 -0.001109 -0.000128 -0.000442 0.001611 -0.001082 33O 1s 0.005494 0.002189 0.002032 -0.001558 -0.006234 -0.000745 33O 2s 0.008946 0.005010 0.003825 0.000380 -0.009594 -0.000348 33O 3s 0.062580 0.005554 0.015617 -0.076976 -0.091422 -0.034894 33O 4s -0.630265 -0.052813 -0.232241 0.402185 0.740064 0.225174 33O 5s 2.454445 -0.542933 0.904005 0.027299 -1.124886 0.662889 33O 1pz -0.013581 0.015192 0.006779 -0.010487 -0.013117 -0.004200 33O 1px -0.081352 0.027782 -0.002160 -0.010246 0.000675 -0.039162 33O 1py -0.007044 -0.004594 -0.008517 0.001006 -0.005441 0.001651 33O 2pz 0.071755 0.024336 0.046317 -0.086766 -0.073554 -0.026537 33O 2px -0.139031 0.132914 0.008576 -0.165345 -0.140604 -0.118003 33O 2py 0.039346 -0.046879 -0.095109 -0.068577 -0.118235 -0.027943 33O 3pz -0.210910 -0.345152 0.006849 0.541118 0.364910 1.026596 33O 3px -0.298914 0.075737 -0.334442 -0.084526 0.147885 -0.792271 33O 3py -0.128258 0.160279 0.064013 0.118373 0.462716 0.376497 33O 1dz2 0.000771 -0.001072 -0.001938 0.000926 0.002701 0.005727 33O 1dxz -0.000172 0.000219 0.002223 0.001107 0.000531 0.005869 33O 1dyz -0.004761 0.003554 0.001461 0.000736 0.000058 0.003707 33O 1dx2y2 -0.001987 0.002661 -0.000855 -0.003147 -0.000236 -0.006804 33O 1dxy -0.000079 0.000620 -0.005140 -0.000977 0.000618 0.001032 33O 2dz2 -0.012331 -0.000916 -0.023036 0.043664 0.034624 0.011044 33O 2dxz -0.069099 0.028817 0.004827 0.030559 -0.010462 -0.038283 33O 2dyz -0.046275 0.011384 0.011226 0.112464 0.115050 0.002953 33O 2dx2y2 -0.006109 0.001704 0.003311 0.047754 -0.004028 0.006443 33O 2dxy -0.035916 0.010036 -0.023287 0.024230 0.087157 -0.004503 33O 1f0 -0.002344 0.004743 0.002706 -0.001209 -0.002009 -0.001660 33O 1f+1 0.002025 -0.001146 -0.000948 -0.000297 -0.001198 0.001600 33O 1f-1 -0.001352 0.000820 -0.000970 -0.004763 -0.004741 -0.000895 33O 1f+2 0.001281 -0.002816 0.002067 0.004415 0.003575 0.000904 33O 1f-2 0.001090 0.000446 0.002525 -0.002086 -0.002883 0.000139 33O 1f+3 0.001096 -0.000970 0.002461 0.000893 0.000381 0.001056 33O 1f-3 -0.000128 0.000525 0.000965 0.000727 0.000640 0.001010 34O 1s -0.002663 0.000464 -0.002593 0.003896 0.001036 0.002125 34O 2s -0.004756 0.001382 -0.005629 0.003718 0.006198 0.002223 34O 3s -0.027677 -0.003142 -0.009383 0.102158 -0.074736 0.054094 34O 4s 0.260808 0.074806 0.145826 -0.670813 0.245930 -0.434136 34O 5s -0.371989 -0.673206 -0.217277 0.769869 0.615409 0.963341 34O 1pz -0.030752 0.003548 0.007645 -0.003404 0.000112 -0.006465 34O 1px 0.003869 -0.000461 -0.012359 0.000592 0.005606 -0.000646 34O 1py -0.025584 -0.017973 0.021249 -0.014671 0.008273 -0.031313 34O 2pz -0.027971 0.051924 0.079505 0.098392 -0.066780 0.006746 34O 2px 0.058031 -0.029092 0.041874 -0.086830 0.108772 0.034502 34O 2py 0.002228 -0.020325 0.053252 -0.141968 0.123815 -0.102188 34O 3pz -0.430169 -0.007168 -0.160733 -0.321097 -0.083636 -0.225540 34O 3px -0.216150 -0.407595 0.075529 -0.154241 0.381493 -0.732637 34O 3py -0.384601 0.059998 -0.185926 0.343165 -0.198413 0.463887 34O 1dz2 -0.000484 -0.001498 0.001932 0.000863 0.001921 -0.000145 34O 1dxz 0.006131 -0.003357 -0.002935 0.000245 0.002627 -0.000989 34O 1dyz -0.001302 -0.002860 0.001652 -0.000477 0.000863 0.004178 34O 1dx2y2 0.003004 0.000705 -0.000256 0.002586 -0.002241 0.006836 34O 1dxy 0.003802 -0.000445 -0.002066 0.003979 -0.002149 0.006214 34O 2dz2 -0.052068 -0.007456 0.003772 0.012801 -0.079562 0.009462 34O 2dxz 0.028982 -0.026667 -0.018564 0.021837 0.022766 0.003679 34O 2dyz -0.014903 -0.017028 0.027461 0.133504 -0.099517 -0.000535 34O 2dx2y2 -0.007077 -0.026911 0.002618 0.014861 -0.035879 -0.008406 34O 2dxy 0.011269 0.000709 -0.020856 0.072733 -0.021441 0.035551 34O 1f0 0.001967 -0.001578 -0.001889 -0.002852 0.003970 -0.000145 34O 1f+1 0.000183 0.002293 0.000625 0.000636 -0.001504 -0.001264 34O 1f-1 -0.000232 -0.000352 -0.000408 -0.000087 0.000904 0.001053 34O 1f+2 -0.001138 0.001339 0.001012 -0.002772 0.001802 0.001039 34O 1f-2 0.001189 -0.002110 -0.001286 -0.001022 0.001847 0.001037 34O 1f+3 -0.000195 0.002455 -0.004327 0.004905 -0.003702 0.000411 34O 1f-3 0.001034 -0.000202 0.000434 -0.000927 0.000116 0.001801 35O 1s -0.005151 0.001560 0.003409 0.002959 0.000047 0.002395 35O 2s -0.007559 0.003571 0.005530 0.001676 -0.003997 0.002420 35O 3s -0.077600 0.004922 0.041900 0.100365 0.080723 0.063654 35O 4s 0.674705 -0.026425 -0.441481 -0.622529 -0.334067 -0.515945 35O 5s -2.057347 -0.419538 1.528033 0.695764 -0.381811 1.255891 35O 1pz 0.045387 0.022323 -0.013460 0.011125 0.011116 0.024633 35O 1px -0.057527 0.003530 0.019357 0.003124 -0.006964 0.006022 35O 1py 0.002699 -0.002551 0.005614 0.002772 -0.009389 0.007051 35O 2pz -0.006716 0.051095 0.045739 0.158654 0.139589 0.094013 35O 2px -0.098578 -0.039130 0.070063 -0.093223 -0.123731 0.026607 35O 2py -0.055422 -0.059088 -0.034837 0.039539 0.025514 0.039715 35O 3pz 0.510396 -0.095967 -0.456468 -0.435516 -0.121133 -0.461397 35O 3px 0.105387 -0.324040 0.172175 -0.116515 -0.234333 -0.543010 35O 3py 0.112603 0.031676 0.137848 -0.201711 -0.232453 -0.431663 35O 1dz2 0.000471 0.001736 0.000034 -0.000259 -0.001422 -0.004984 35O 1dxz -0.002944 -0.002267 0.001070 -0.002394 -0.004677 -0.004690 35O 1dyz 0.002412 0.001958 -0.002730 -0.001752 -0.000115 -0.007216 35O 1dx2y2 -0.001402 0.000972 -0.003002 0.002176 0.001361 0.003028 35O 1dxy 0.002742 0.002349 0.000486 -0.001194 0.000854 -0.001140 35O 2dz2 0.042336 0.031732 -0.041165 -0.082050 -0.020252 -0.001854 35O 2dxz -0.034570 -0.028230 -0.006159 0.010386 -0.007398 -0.023676 35O 2dyz 0.056104 0.016309 -0.022363 -0.096180 -0.142614 -0.016043 35O 2dx2y2 -0.028638 -0.006053 -0.019020 -0.005737 -0.017247 -0.007310 35O 2dxy 0.000128 -0.004446 0.016529 -0.070927 -0.011817 -0.024975 35O 1f0 -0.001239 -0.000903 0.000674 0.000080 -0.000294 -0.001013 35O 1f+1 0.000808 0.004296 0.000272 0.001038 0.002654 -0.000133 35O 1f-1 -0.000056 0.002008 0.001077 0.004418 0.004953 -0.000790 35O 1f+2 0.001813 0.000212 0.000859 -0.002058 0.000003 0.002108 35O 1f-2 0.002401 0.000649 -0.001410 0.001799 0.001836 0.001261 35O 1f+3 0.000579 0.000037 -0.003285 0.002437 0.001641 0.000629 35O 1f-3 -0.000405 0.002107 -0.001705 0.001486 0.001214 -0.000646 288 289 290 291 292 293 1.16085 1.18029 1.21627 1.22281 1.24359 1.25311 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s -0.000495 0.006940 -0.000040 -0.000030 0.000042 0.000030 0Rh 2s 0.001401 -0.021409 0.000017 -0.000439 -0.000205 0.000115 0Rh 3s -0.002031 0.027422 -0.000222 -0.000447 0.000121 0.000248 0Rh 4s -0.006270 0.096918 -0.000025 0.002254 0.000963 -0.000605 0Rh 5s -0.000028 -0.022525 -0.001195 -0.006800 -0.001093 0.002308 0Rh 6s 0.039885 -0.522151 0.005055 0.013937 -0.001631 -0.004807 0Rh 7s -0.184004 2.299228 0.039822 -0.125214 -0.030297 0.046471 0Rh 8s 0.058175 -0.568325 -0.244795 -0.391639 0.011583 0.305802 0Rh 1pz 0.001891 0.001116 -0.007137 0.011834 0.008685 0.017848 0Rh 1px 0.001210 -0.008565 0.003632 0.004048 -0.004154 0.011153 0Rh 1py 0.005393 -0.001441 -0.010013 -0.008841 0.014740 -0.005138 0Rh 2pz -0.006283 -0.004006 0.024130 -0.040812 -0.029586 -0.058833 0Rh 2px -0.004128 0.029339 -0.012460 -0.013899 0.013764 -0.037191 0Rh 2py -0.017906 0.004914 0.034898 0.029773 -0.048886 0.017083 0Rh 3pz -0.000895 0.005936 -0.005631 0.026230 0.010943 -0.019921 0Rh 3px 0.001914 -0.015166 0.006884 0.007094 0.002509 -0.002602 0Rh 3py -0.002585 -0.002117 -0.029951 -0.004246 -0.009728 0.002690 0Rh 4pz 0.039030 -0.001483 -0.109221 0.116959 0.120544 0.412555 0Rh 4px 0.014527 -0.103001 0.039294 0.051215 -0.084029 0.215021 0Rh 4py 0.110150 -0.018610 -0.069879 -0.146816 0.312431 -0.107325 0Rh 5pz -0.062422 0.002360 0.128969 -0.087868 -0.153576 -0.641623 0Rh 5px -0.015960 0.158999 -0.035404 -0.079702 0.107893 -0.290584 0Rh 5py -0.170234 0.027902 0.019638 0.185766 -0.454916 0.159991 0Rh 6pz 0.112334 -0.051692 0.625803 -1.459840 -0.138748 0.584961 0Rh 6px -0.014549 0.182596 -0.188570 0.376621 0.267293 -0.476132 0Rh 6py -0.076728 -0.002627 1.454594 0.626783 -0.237929 0.007334 0Rh 1dz2 -0.013627 0.034613 0.014082 -0.026153 0.012813 0.009532 0Rh 1dxz 0.008542 0.049659 -0.014237 0.041221 0.016627 -0.004018 0Rh 1dyz -0.036136 0.007187 0.036102 0.000996 0.059570 0.031896 0Rh 1dx2y2 0.007465 -0.066579 0.015429 0.008205 0.011839 0.011086 0Rh 1dxy -0.014693 -0.031487 -0.034148 -0.016977 0.027185 0.010876 0Rh 2dz2 0.001882 -0.005966 -0.002960 0.005277 -0.002278 -0.002673 0Rh 2dxz -0.001516 -0.009138 0.002703 -0.009174 -0.003347 0.002747 0Rh 2dyz 0.004523 -0.001511 -0.007649 -0.000254 -0.012184 -0.005228 0Rh 2dx2y2 -0.001730 0.012141 -0.003379 -0.001290 -0.002851 -0.001562 0Rh 2dxy 0.002633 0.006067 0.007427 0.003191 -0.003583 -0.002670 0Rh 3dz2 0.021820 -0.049339 -0.018124 0.034888 -0.018201 -0.009473 0Rh 3dxz -0.012065 -0.068592 0.019736 -0.051170 -0.022396 -0.003171 0Rh 3dyz 0.059871 -0.009068 -0.046143 -0.001245 -0.078468 -0.047774 0Rh 3dx2y2 -0.008542 0.092127 -0.019353 -0.012825 -0.013783 -0.017612 0Rh 3dxy 0.021010 0.042416 0.043362 0.023538 -0.044493 -0.012360 0Rh 4dz2 0.027893 -0.119078 -0.053561 0.093728 -0.044517 -0.046137 0Rh 4dxz -0.028152 -0.176575 0.048323 -0.164039 -0.059911 0.046017 0Rh 4dyz 0.069151 -0.029253 -0.139595 -0.003055 -0.223911 -0.100077 0Rh 4dx2y2 -0.035988 0.236139 -0.059581 -0.019507 -0.050798 -0.032752 0Rh 4dxy 0.038387 0.114601 0.129917 0.059640 -0.071774 -0.048486 0Rh 5dz2 0.106441 0.423471 0.149821 -0.231416 0.133151 0.161341 0Rh 5dxz 0.051896 0.605418 -0.110389 0.487759 0.160967 -0.240197 0Rh 5dyz 0.282563 0.118160 0.416555 -0.012732 0.657686 0.239903 0Rh 5dx2y2 0.183656 -0.828000 0.165909 -0.024190 0.164326 0.086218 0Rh 5dxy 0.085175 -0.381639 -0.341713 -0.165955 0.119273 0.172778 0Rh 1f0 0.005622 -0.005710 -0.011880 -0.016120 0.002092 0.001284 0Rh 1f+1 -0.017591 0.000720 -0.007724 0.020137 0.015540 -0.001501 0Rh 1f-1 0.006622 0.003108 -0.036306 0.012399 0.006767 -0.004221 0Rh 1f+2 0.009590 0.004477 0.001466 -0.024441 0.002308 -0.021669 0Rh 1f-2 -0.033994 0.001555 -0.020616 -0.011803 0.026941 -0.000477 0Rh 1f+3 0.002790 0.007202 0.003725 0.032337 0.001050 -0.006904 0Rh 1f-3 0.020769 0.005210 -0.019493 0.001319 0.002517 -0.015391 1Rh 1s -0.000481 0.006933 0.000007 0.000031 -0.000084 0.000049 1Rh 2s 0.001319 -0.021369 0.000091 0.000422 0.000318 -0.000395 1Rh 3s -0.002001 0.027406 0.000099 0.000444 -0.000298 0.000043 1Rh 4s -0.005883 0.096725 -0.000469 -0.002164 -0.001474 0.001910 1Rh 5s -0.000566 -0.022261 0.001442 0.006560 0.001045 -0.003255 1Rh 6s 0.039637 -0.521986 -0.003045 -0.013351 0.005107 0.001006 1Rh 7s -0.184517 2.300941 -0.044553 0.118264 0.018807 -0.040437 1Rh 8s 0.045407 -0.555261 0.243573 0.400820 -0.009059 -0.298404 1Rh 1pz -0.001768 -0.001085 -0.007085 0.011829 0.008715 0.017639 1Rh 1px -0.001400 0.008459 0.003515 0.004169 -0.004244 0.011696 1Rh 1py -0.005352 0.001431 -0.010005 -0.008795 0.014808 -0.005002 1Rh 2pz 0.005861 0.003899 0.023957 -0.040793 -0.029684 -0.058141 1Rh 2px 0.004770 -0.028980 -0.012071 -0.014297 0.014070 -0.038998 1Rh 2py 0.017754 -0.004875 0.034869 0.029620 -0.049113 0.016626 1Rh 3pz 0.001124 -0.005818 -0.005621 0.026227 0.010944 -0.019769 1Rh 3px -0.002025 0.015014 0.006923 0.006952 0.002418 -0.002810 1Rh 3py 0.002898 0.001990 -0.029908 -0.004270 -0.009702 0.002676 1Rh 4pz -0.037605 0.001538 -0.108301 0.116863 0.121103 0.408060 1Rh 4px -0.017664 0.101778 0.036956 0.053959 -0.085468 0.225859 1Rh 4py -0.110683 0.018938 -0.069875 -0.145869 0.313648 -0.104683 1Rh 5pz 0.060324 -0.001666 0.127627 -0.087660 -0.154572 -0.634407 1Rh 5px 0.021155 -0.158671 -0.031468 -0.083889 0.110889 -0.307068 1Rh 5py 0.172814 -0.028788 0.019567 0.184436 -0.457258 0.155483 1Rh 6pz -0.104316 0.036937 0.622698 -1.465556 -0.141381 0.572013 1Rh 6px -0.021427 -0.148479 -0.200221 0.383486 0.251645 -0.454170 1Rh 6py 0.028238 0.010191 1.464675 0.624631 -0.211192 0.036810 1Rh 1dz2 -0.013411 0.034344 -0.014500 0.025963 -0.013026 -0.009181 1Rh 1dxz 0.008709 0.049469 0.014146 -0.041144 -0.017195 0.004415 1Rh 1dyz -0.035999 0.006729 -0.036708 -0.001227 -0.059150 -0.031990 1Rh 1dx2y2 0.007048 -0.066433 -0.014871 -0.008194 -0.010891 -0.011489 1Rh 1dxy -0.015036 -0.031538 0.034032 0.016790 -0.026989 -0.011555 1Rh 2dz2 0.001815 -0.005899 0.003039 -0.005230 0.002293 0.002636 1Rh 2dxz -0.001554 -0.009101 -0.002698 0.009166 0.003456 -0.002770 1Rh 2dyz 0.004492 -0.001393 0.007774 0.000308 0.012071 0.005255 1Rh 2dx2y2 -0.001609 0.012106 0.003287 0.001281 0.002687 0.001612 1Rh 2dxy 0.002711 0.006069 -0.007400 -0.003147 0.003522 0.002778 1Rh 3dz2 0.021645 -0.049046 0.018698 -0.034674 0.018600 0.008864 1Rh 3dxz -0.012252 -0.068339 -0.019561 0.051039 0.023177 0.002402 1Rh 3dyz 0.059707 -0.008583 0.046938 0.001524 0.078033 0.047864 1Rh 3dx2y2 -0.008169 0.091963 0.018532 0.012839 0.012412 0.018276 1Rh 3dxy 0.021416 0.042515 -0.043223 -0.023319 0.044325 0.013393 1Rh 4dz2 0.026624 -0.117761 0.055009 -0.092907 0.044893 0.045225 1Rh 4dxz -0.029016 -0.175751 -0.048132 0.163829 0.061966 -0.046793 1Rh 4dyz 0.068521 -0.027096 0.141748 0.003991 0.221796 0.100547 1Rh 4dx2y2 -0.033663 0.235331 0.057720 0.019358 0.047559 0.033906 1Rh 4dxy 0.039802 0.114642 -0.129484 -0.058849 0.070684 0.050636 1Rh 5dz2 0.112750 0.417520 -0.153690 0.228696 -0.133008 -0.158602 1Rh 5dxz 0.056598 0.601547 0.109443 -0.487407 -0.167670 0.242759 1Rh 5dyz 0.286015 0.109617 -0.421560 0.009523 -0.647748 -0.242086 1Rh 5dx2y2 0.172757 -0.823436 -0.160159 0.025070 -0.153735 -0.090295 1Rh 5dxy 0.080980 -0.381288 0.341152 0.163526 -0.113828 -0.178932 1Rh 1f0 -0.005022 0.005508 -0.011919 -0.016267 0.001915 0.000761 1Rh 1f+1 0.017562 -0.000465 -0.007649 0.020228 0.015453 -0.001360 1Rh 1f-1 -0.006225 -0.002954 -0.036476 0.012377 0.006498 -0.004254 1Rh 1f+2 -0.009489 -0.004117 0.001258 -0.024332 0.001972 -0.021361 1Rh 1f-2 0.034479 -0.001524 -0.020532 -0.011666 0.026702 -0.000413 1Rh 1f+3 -0.003362 -0.006690 0.003630 0.032527 0.001108 -0.006374 1Rh 1f-3 -0.020789 -0.004959 -0.019733 0.001382 0.002354 -0.015262 2C 1s -0.001110 -0.003559 0.004677 -0.003822 -0.004210 -0.002702 2C 2s -0.010497 -0.008066 0.006482 -0.005453 -0.007255 -0.007619 2C 3s 0.330384 -0.023938 0.186106 -0.120691 -0.130452 0.022880 2C 4s -1.396071 0.461411 -1.142617 0.729732 1.028138 0.276322 2C 5s 2.266302 3.042886 -0.895047 0.070755 1.761915 2.352447 2C 1pz -0.027442 0.036612 -0.084410 0.089474 0.061921 0.058950 2C 1px 0.025862 -0.022276 -0.085364 0.085090 -0.068479 -0.041798 2C 1py -0.048837 0.033375 -0.063855 -0.012914 0.083950 -0.038327 2C 2pz -0.964617 0.228939 -0.716102 0.392410 0.467710 0.060590 2C 2px -0.008795 -0.018134 -0.189800 0.183963 0.303874 -0.008682 2C 2py -0.576349 0.172084 -0.313994 0.443519 0.332068 0.135851 2C 3pz -0.010236 0.733424 -0.326474 0.407269 0.758720 0.404018 2C 3px 0.225354 0.196781 -0.536997 0.448041 0.031507 -0.144044 2C 3py -0.120509 0.479249 -0.581846 -0.085244 0.222898 0.442958 2C 1dz2 0.000498 -0.003362 0.014591 -0.008608 0.006923 -0.017980 2C 1dxz -0.006151 0.002114 0.009807 -0.008287 0.002234 -0.003667 2C 1dyz 0.008704 -0.006562 0.006345 -0.004974 -0.017647 0.005312 2C 1dx2y2 0.003838 -0.002075 -0.000104 0.004375 0.014533 -0.013031 2C 1dxy 0.002697 -0.002007 0.002820 -0.002985 0.000474 -0.004145 2C 2dz2 -0.321195 0.063502 -0.113319 0.393416 0.173698 0.132197 2C 2dxz -0.369423 0.134175 -0.014260 0.091529 -0.296862 0.155546 2C 2dyz -0.519705 -0.016497 -0.522543 0.347177 0.385302 -0.172979 2C 2dx2y2 0.427903 -0.078109 0.086621 0.229230 -0.056240 0.036616 2C 2dxy -0.167132 -0.040520 -0.246763 0.017810 -0.055541 -0.189363 2C 1f0 0.007864 -0.000445 0.002611 0.014997 0.008788 0.006817 2C 1f+1 -0.001650 -0.003319 -0.015698 0.007702 0.004684 -0.012279 2C 1f-1 -0.034541 0.009285 -0.012214 0.002523 0.007178 0.003980 2C 1f+2 -0.002133 0.001715 0.012406 -0.005488 -0.015155 0.004238 2C 1f-2 -0.005274 0.006475 0.001946 -0.001143 -0.007183 0.009165 2C 1f+3 -0.014440 0.002885 -0.002135 0.011009 -0.004076 0.003372 2C 1f-3 0.007178 -0.006247 -0.011868 0.012070 0.010337 -0.010951 3C 1s 0.001133 -0.003166 -0.003929 -0.005507 0.001772 -0.002953 3C 2s 0.010906 -0.005368 -0.004953 -0.008340 0.005939 -0.006086 3C 3s -0.345318 -0.095665 -0.142016 -0.196650 -0.030901 -0.074590 3C 4s 1.466396 0.788322 0.819742 1.278669 -0.161423 0.797629 3C 5s -2.726688 2.921404 0.167078 1.336385 -2.335763 3.036161 3C 1pz 0.051209 0.069917 -0.054177 0.045023 -0.027170 0.115534 3C 1px 0.007721 0.001154 0.076038 0.034730 0.082539 0.030829 3C 1py -0.022478 -0.024131 -0.102381 -0.124100 0.028384 0.022352 3C 2pz 0.633760 0.276488 0.394086 0.211383 -0.061355 0.190138 3C 2px 0.211559 0.106395 0.235171 0.460730 -0.152482 -0.016456 3C 2py -0.977489 -0.401513 -0.530363 -0.737071 -0.046341 -0.379313 3C 3pz 0.256131 0.484950 -0.360897 0.375230 -0.391795 0.231994 3C 3px -0.098993 0.312402 0.376344 0.381809 0.123363 0.375643 3C 3py 0.183346 -0.800072 -0.575304 -0.628391 0.448932 -0.787953 3C 1dz2 0.001684 0.002491 0.002404 0.008741 -0.008770 -0.013525 3C 1dxz 0.002799 0.000638 -0.005200 -0.004869 -0.003707 -0.005204 3C 1dyz 0.009853 0.009627 0.004165 0.004977 0.000305 0.017233 3C 1dx2y2 -0.003370 0.000289 0.007959 0.015676 -0.002696 -0.008560 3C 1dxy 0.001251 0.001512 0.007999 0.008731 0.002220 0.002524 3C 2dz2 -0.039762 0.031507 -0.314779 -0.043676 -0.084188 0.028524 3C 2dxz 0.476716 0.128301 0.001242 -0.102069 0.239603 0.311400 3C 2dyz -0.450799 -0.026327 -0.278061 -0.691904 -0.154142 0.059867 3C 2dx2y2 -0.399523 -0.190548 -0.250280 -0.143693 0.248295 0.050189 3C 2dxy -0.456477 -0.131565 -0.308913 -0.064169 -0.132229 -0.138145 3C 1f0 -0.028115 -0.012514 -0.009242 0.000137 0.011371 -0.004015 3C 1f+1 -0.012630 -0.006869 0.004091 0.016345 0.001838 -0.010586 3C 1f-1 -0.008943 0.001420 0.000032 -0.009658 -0.010206 0.000203 3C 1f+2 -0.011058 -0.008101 0.005197 -0.003962 0.008937 -0.009363 3C 1f-2 -0.004246 -0.002537 -0.004576 -0.015044 -0.000068 -0.002991 3C 1f+3 0.019671 0.004678 0.011475 0.010298 0.014266 0.009920 3C 1f-3 0.001854 0.004250 -0.009718 -0.023373 0.002905 0.016602 4C 1s -0.011034 -0.006554 -0.013711 0.016596 0.000023 -0.016054 4C 2s -0.028089 -0.014389 -0.036535 0.045193 -0.000222 -0.043979 4C 3s -0.072763 -0.066102 -0.024030 -0.110232 0.076910 0.224155 4C 4s 1.812080 1.284944 0.624697 -0.297961 -0.088330 0.110940 4C 5s 3.702130 -0.736002 3.207740 -2.333133 -0.933496 0.673546 4C 1pz -0.051505 0.049235 -0.070279 0.051534 0.127995 0.108304 4C 1px 0.006423 0.003674 -0.060800 0.039408 -0.065948 0.000754 4C 1py -0.022665 0.037662 -0.062396 0.003704 0.064068 0.016789 4C 2pz -0.919089 0.491374 -0.622927 0.486126 0.586257 -0.107396 4C 2px -0.189237 0.077977 -0.005480 -0.026575 0.119542 -0.046610 4C 2py -0.574366 0.338167 -0.421164 0.402204 0.179487 0.196384 4C 3pz 3.421194 2.806584 -0.230288 -0.965060 1.453713 2.906423 4C 3px 0.503916 0.497105 0.285450 -0.355325 0.573691 0.885695 4C 3py 2.398467 1.916253 0.575026 -0.206753 1.551263 1.478201 4C 1dz2 -0.002655 -0.006886 -0.001632 -0.004462 -0.021288 0.017406 4C 1dxz -0.002696 -0.005556 0.001466 -0.004098 -0.009295 0.011157 4C 1dyz -0.010450 -0.003447 0.017165 -0.010585 -0.000524 -0.012903 4C 1dx2y2 0.000259 0.012532 -0.007361 0.003883 -0.007491 0.013253 4C 1dxy -0.004494 0.005393 0.003152 -0.003143 -0.000873 0.000179 4C 2dz2 0.461200 -0.089681 0.283481 -0.012505 -0.317894 0.221563 4C 2dxz 0.172448 -0.137235 -0.171322 0.187419 -0.467122 -0.160923 4C 2dyz 0.525253 -0.078257 0.648386 -0.623268 -0.256704 -0.115319 4C 2dx2y2 -0.150929 0.204684 0.217036 -0.099745 -0.056874 0.451331 4C 2dxy 0.119758 0.052887 0.248995 -0.208062 -0.273425 0.086853 4C 1f0 -0.006493 -0.001500 -0.004342 -0.003982 0.005598 -0.004570 4C 1f+1 -0.003503 -0.006672 -0.017232 0.005322 0.003885 -0.007168 4C 1f-1 -0.028926 -0.002133 -0.022714 0.018075 0.009308 -0.008140 4C 1f+2 0.011458 0.003800 0.012425 -0.007983 0.001218 -0.006063 4C 1f-2 -0.006818 -0.002842 -0.007586 0.009066 0.007280 -0.007546 4C 1f+3 -0.002521 -0.000285 -0.009686 0.006536 0.000010 -0.003054 4C 1f-3 0.000330 -0.002956 -0.009961 0.007529 -0.003202 -0.000268 5C 1s 0.012140 -0.004010 0.018185 0.012564 0.015211 -0.013971 5C 2s 0.030416 -0.007583 0.049311 0.033588 0.042007 -0.038534 5C 3s 0.092065 -0.092855 -0.113853 0.041026 -0.203804 0.212658 5C 4s -2.069883 1.124868 -0.395493 -0.556405 -0.152722 0.093362 5C 5s -3.615543 -1.273922 -2.814646 -2.971391 -0.268951 -0.027389 5C 1pz 0.021018 0.043176 -0.014481 0.069102 -0.032322 0.097767 5C 1px 0.022335 0.024663 0.069017 0.010270 0.062636 0.104743 5C 1py -0.049199 -0.058341 -0.050552 -0.110627 0.076530 -0.066029 5C 2pz 0.481427 0.395136 0.390061 0.418400 -0.070816 -0.045744 5C 2px 0.424579 0.281130 0.252671 0.260292 -0.074941 0.121829 5C 2py -0.928087 -0.688715 -0.532519 -0.636977 -0.098360 -0.362056 5C 3pz -2.559952 1.555129 -0.042597 -0.090984 -1.226704 2.505696 5C 3px -1.254470 1.006034 -0.417322 0.169262 -1.334063 1.052246 5C 3py 3.713983 -2.597306 1.190926 -0.617074 2.440999 -3.083577 5C 1dz2 -0.003732 -0.005889 0.004084 -0.004584 0.008470 0.016855 5C 1dxz 0.003966 -0.007609 -0.003566 -0.007148 0.003083 0.006913 5C 1dyz -0.009214 -0.000642 0.007308 0.016356 -0.006721 -0.003945 5C 1dx2y2 -0.004274 0.012627 0.006075 0.003182 0.006303 0.012795 5C 1dxy -0.005342 0.003318 0.007706 0.008275 0.002795 0.001827 5C 2dz2 0.176302 -0.064812 0.121932 0.347135 0.260234 0.024782 5C 2dxz -0.136291 -0.191314 0.083870 0.015850 0.301599 -0.090808 5C 2dyz 0.518566 0.097925 0.750715 0.666551 0.135994 -0.005242 5C 2dx2y2 0.480667 0.308843 -0.028344 -0.000776 0.046786 0.604192 5C 2dxy 0.293057 0.162935 0.047994 0.349573 -0.269388 0.008289 5C 1f0 -0.017338 -0.004707 -0.011692 -0.010372 -0.010756 0.002293 5C 1f+1 -0.003753 -0.005380 0.003814 0.003219 -0.001184 -0.002925 5C 1f-1 -0.001596 -0.000597 -0.003869 -0.000704 0.004285 0.004973 5C 1f+2 -0.022712 -0.003374 -0.014870 -0.011303 -0.003543 -0.003541 5C 1f-2 -0.015133 0.003786 -0.012862 -0.019513 0.000774 0.005966 5C 1f+3 0.011976 -0.006022 0.012725 0.019452 0.009979 -0.004932 5C 1f-3 -0.008429 0.005807 -0.002320 -0.011640 -0.000341 -0.001937 6C 1s 0.012264 -0.004158 -0.018015 -0.012326 -0.015496 0.014493 6C 2s 0.030709 -0.007984 -0.048849 -0.032933 -0.042880 0.040022 6C 3s 0.093710 -0.091003 0.111496 -0.045148 0.214885 -0.223402 6C 4s -2.080215 1.124308 0.381719 0.559306 0.115947 -0.056329 6C 5s -3.658915 -1.265386 2.769402 2.947443 0.282784 0.027806 6C 1pz -0.021236 -0.043343 -0.015073 0.069474 -0.031046 0.099230 6C 1px -0.022081 -0.024405 0.068739 0.010604 0.063167 0.104862 6C 1py 0.049655 0.058754 -0.049265 -0.110098 0.075554 -0.068357 6C 2pz -0.485212 -0.392456 0.382438 0.414994 -0.058864 -0.039887 6C 2px -0.425349 -0.287589 0.246454 0.256554 -0.069855 0.119324 6C 2py 0.934101 0.685222 -0.518311 -0.632071 -0.119347 -0.369573 6C 3pz 2.543353 -1.558480 -0.032273 -0.090102 -1.187963 2.504664 6C 3px 1.240370 -1.006273 -0.422765 0.167884 -1.319207 1.051137 6C 3py -3.709646 2.605176 1.180941 -0.622019 2.378859 -3.088136 6C 1dz2 -0.003573 -0.005918 -0.004147 0.004590 -0.008371 -0.016822 6C 1dxz 0.004033 -0.007598 0.003628 0.007142 -0.002968 -0.007081 6C 1dyz -0.009198 -0.000604 -0.007328 -0.016316 0.006687 0.003991 6C 1dx2y2 -0.004179 0.012602 -0.006081 -0.003153 -0.006500 -0.012601 6C 1dxy -0.005296 0.003219 -0.007802 -0.008277 -0.002978 -0.001594 6C 2dz2 0.179421 -0.067349 -0.121251 -0.346709 -0.257117 -0.019274 6C 2dxz -0.135149 -0.192683 -0.089853 -0.016317 -0.295816 0.100879 6C 2dyz 0.525011 0.096527 -0.745791 -0.662412 -0.139814 0.008434 6C 2dx2y2 0.478611 0.309131 0.037769 0.001852 -0.058139 -0.614787 6C 2dxy 0.297520 0.162219 -0.042373 -0.347178 0.261771 -0.016929 6C 1f0 0.017326 0.004487 -0.011294 -0.010189 -0.011370 0.002078 6C 1f+1 0.003568 0.005518 0.004127 0.003364 -0.001661 -0.002879 6C 1f-1 0.001610 0.000596 -0.003836 -0.000710 0.004277 0.004848 6C 1f+2 0.022877 0.003518 -0.014518 -0.011098 -0.003674 -0.003725 6C 1f-2 0.015369 -0.003628 -0.012921 -0.019496 0.001121 0.006052 6C 1f+3 -0.012247 0.006237 0.012849 0.019524 0.009631 -0.004839 6C 1f-3 0.008682 -0.005727 -0.002447 -0.011740 0.000354 -0.001994 7C 1s -0.011255 -0.006544 0.013449 -0.016671 0.000199 0.016328 7C 2s -0.028659 -0.014377 0.035781 -0.045410 0.000807 0.044793 7C 3s -0.073418 -0.065237 0.029133 0.112166 -0.080578 -0.230893 7C 4s 1.830138 1.277792 -0.633025 0.298946 0.079632 -0.071476 7C 5s 3.748556 -0.735529 -3.159092 2.355370 0.925815 -0.678079 7C 1pz 0.052193 -0.048659 -0.069236 0.052587 0.126287 0.112332 7C 1px -0.005861 -0.005220 -0.060699 0.039641 -0.065836 0.001255 7C 1py 0.022582 -0.037927 -0.062708 0.005493 0.062909 0.019658 7C 2pz 0.923180 -0.489631 -0.610363 0.500367 0.568907 -0.081990 7C 2px 0.191206 -0.075491 -0.003580 -0.024628 0.116422 -0.040542 7C 2py 0.580067 -0.338258 -0.414707 0.412510 0.170823 0.213418 7C 3pz -3.440709 -2.794087 -0.233861 -0.940292 1.415902 2.936296 7C 3px -0.506378 -0.491198 0.288266 -0.348266 0.565102 0.903798 7C 3py -2.416039 -1.913379 0.574851 -0.192591 1.529336 1.505581 7C 1dz2 -0.002462 -0.006780 0.001714 0.004489 0.021331 -0.017584 7C 1dxz -0.002679 -0.005472 -0.001387 0.004155 0.009433 -0.011325 7C 1dyz -0.010421 -0.003481 -0.017081 0.010479 0.000642 0.012687 7C 1dx2y2 0.000431 0.012515 0.007181 -0.004004 0.007502 -0.013128 7C 1dxy -0.004517 0.005365 -0.003299 0.003133 0.000820 -0.000445 7C 2dz2 0.463886 -0.090772 -0.278221 0.016841 0.309835 -0.207493 7C 2dxz 0.168239 -0.132671 0.174294 -0.181632 0.458578 0.178575 7C 2dyz 0.532439 -0.077938 -0.642788 0.629681 0.250224 0.125095 7C 2dx2y2 -0.145894 0.204875 -0.216662 0.091536 0.065131 -0.470887 7C 2dxy 0.121673 0.054356 -0.246592 0.207008 0.274487 -0.093271 7C 1f0 0.006524 0.001392 -0.004214 -0.004237 0.005711 -0.004485 7C 1f+1 0.003739 0.006605 -0.017317 0.005039 0.004268 -0.007550 7C 1f-1 0.029247 0.002017 -0.022456 0.018323 0.008760 -0.007378 7C 1f+2 -0.011799 -0.003799 0.012573 -0.007942 0.001011 -0.006100 7C 1f-2 0.006837 0.003050 -0.007558 0.009180 0.007103 -0.007412 7C 1f+3 0.002623 0.000242 -0.009649 0.006648 -0.000104 -0.002972 7C 1f-3 -0.000140 0.002875 -0.010175 0.007342 -0.002793 -0.000650 8C 1s 0.001080 -0.003150 0.003993 0.005558 -0.001787 0.002824 8C 2s 0.010806 -0.005336 0.005266 0.008547 -0.006118 0.005652 8C 3s -0.346815 -0.095428 0.135842 0.193442 0.036088 0.080541 8C 4s 1.476763 0.786799 -0.793596 -1.266879 0.133441 -0.819991 8C 5s -2.692794 2.924888 -0.169208 -1.336408 2.284673 -3.033659 8C 1pz -0.051079 -0.069496 -0.054618 0.045359 -0.025432 0.116091 8C 1px -0.007318 0.000316 0.077107 0.035250 0.083332 0.028178 8C 1py 0.024001 0.024390 -0.101762 -0.123026 0.028466 0.022629 8C 2pz -0.635640 -0.276093 0.385623 0.209832 -0.054773 0.198346 8C 2px -0.217977 -0.104664 0.234206 0.460726 -0.145923 -0.013784 8C 2py 0.983930 0.400881 -0.515340 -0.731259 -0.058438 -0.388762 8C 3pz -0.253531 -0.485273 -0.367699 0.377842 -0.381418 0.241003 8C 3px 0.101805 -0.311189 0.382638 0.386204 0.134059 0.369512 8C 3py -0.166075 0.799242 -0.565643 -0.620739 0.433150 -0.788863 8C 1dz2 0.001669 0.002548 -0.002360 -0.008677 0.008743 0.013462 8C 1dxz 0.002694 0.000717 0.005296 0.004879 0.003794 0.005037 8C 1dyz 0.009902 0.009599 -0.004009 -0.004908 -0.000537 -0.017348 8C 1dx2y2 -0.003331 0.000330 -0.007960 -0.015586 0.002620 0.008698 8C 1dxy 0.001265 0.001443 -0.007991 -0.008732 -0.002316 -0.002357 8C 2dz2 -0.039752 0.032046 0.315005 0.044992 0.082301 -0.032685 8C 2dxz 0.471535 0.128855 0.007881 0.101985 -0.241340 -0.316535 8C 2dyz -0.456300 -0.023676 0.273613 0.689864 0.157476 -0.062188 8C 2dx2y2 -0.404100 -0.190673 0.245159 0.142354 -0.241460 -0.041094 8C 2dxy -0.456678 -0.131579 0.304420 0.060862 0.135266 0.141775 8C 1f0 0.028410 0.012576 -0.009065 0.000249 0.011099 -0.004706 8C 1f+1 0.012160 0.006938 0.004608 0.016310 0.001818 -0.011120 8C 1f-1 0.008882 -0.001479 0.000273 -0.009704 -0.010109 0.000285 8C 1f+2 0.011165 0.008075 0.005321 -0.003950 0.008759 -0.009713 8C 1f-2 0.004301 0.002532 -0.004519 -0.014833 -0.000009 -0.003004 8C 1f+3 -0.019740 -0.004648 0.011254 0.010430 0.014150 0.009737 8C 1f-3 -0.001701 -0.004426 -0.009894 -0.023342 0.002994 0.016961 9C 1s -0.001091 -0.003527 -0.004692 0.003783 0.004310 0.002548 9C 2s -0.010520 -0.007971 -0.006616 0.005236 0.007695 0.006961 9C 3s 0.332779 -0.024731 -0.182017 0.126674 0.121945 -0.009497 9C 4s -1.407365 0.463117 1.124308 -0.758770 -0.989890 -0.337501 9C 5s 2.278586 3.025507 0.883963 -0.090240 -1.747009 -2.352942 9C 1pz 0.028537 -0.037223 -0.081925 0.089279 0.061084 0.060639 9C 1px -0.025128 0.020832 -0.085152 0.084507 -0.067780 -0.044199 9C 1py 0.049045 -0.032177 -0.064942 -0.009710 0.083389 -0.039246 9C 2pz 0.973084 -0.231329 -0.704546 0.400583 0.451126 0.088399 9C 2px 0.004022 0.026131 -0.188850 0.185516 0.300598 -0.007599 9C 2py 0.579873 -0.169527 -0.314797 0.456302 0.323789 0.153302 9C 3pz 0.015710 -0.726899 -0.309034 0.415522 0.742266 0.417252 9C 3px -0.216603 -0.200282 -0.537404 0.447717 0.029951 -0.156352 9C 3py 0.114162 -0.482179 -0.587093 -0.066797 0.221360 0.455178 9C 1dz2 0.000425 -0.003388 -0.014349 0.008501 -0.007171 0.018186 9C 1dxz -0.006220 0.002115 -0.009734 0.008204 -0.002202 0.003524 9C 1dyz 0.008885 -0.006561 -0.006342 0.005260 0.017503 -0.005055 9C 1dx2y2 0.003778 -0.002190 0.000268 -0.004518 -0.014464 0.013094 9C 1dxy 0.002714 -0.002017 -0.002826 0.003069 -0.000611 0.004175 9C 2dz2 -0.316683 0.058941 0.109422 -0.397485 -0.167359 -0.139224 9C 2dxz -0.375802 0.141589 0.011813 -0.091481 0.303385 -0.164003 9C 2dyz -0.525612 -0.017943 0.517069 -0.356548 -0.376614 0.159506 9C 2dx2y2 0.435617 -0.082190 -0.087077 -0.228932 0.056519 -0.029052 9C 2dxy -0.170142 -0.034020 0.242713 -0.018353 0.052755 0.187367 9C 1f0 -0.008475 0.000911 0.002575 0.015349 0.008414 0.006717 9C 1f+1 0.001332 0.003377 -0.015451 0.007761 0.004953 -0.012327 9C 1f-1 0.034861 -0.009403 -0.012044 0.002866 0.007051 0.004698 9C 1f+2 0.002081 -0.001713 0.012086 -0.005480 -0.014864 0.003910 9C 1f-2 0.005480 -0.006681 0.001922 -0.000833 -0.007550 0.009505 9C 1f+3 0.014519 -0.002935 -0.002057 0.010907 -0.004472 0.003760 9C 1f-3 -0.006823 0.006491 -0.011941 0.012475 0.010376 -0.011301 10H 1s 0.057440 -0.017452 -0.013370 0.015805 0.000449 -0.011189 10H 2s -0.503921 0.164136 0.150720 -0.279460 -0.356665 0.161447 10H 3s -0.291488 -0.219150 0.159246 -0.017798 0.133432 -0.103647 10H 1pz -0.036437 0.018083 0.005811 -0.005204 -0.040467 0.022199 10H 1px 0.017707 0.003451 0.000755 0.002835 0.033250 0.011878 10H 1py -0.010080 0.005154 -0.007102 -0.003125 -0.011328 -0.007514 11H 1s 0.001820 0.018839 0.035035 -0.034589 0.007637 0.021775 11H 2s 0.105426 -0.174113 -0.360069 0.044709 0.294122 -0.314014 11H 3s -0.222405 0.000959 -0.069437 0.315907 0.037263 -0.109701 11H 1pz 0.008979 -0.026964 -0.021541 -0.008510 0.026359 -0.061906 11H 1px -0.010738 0.007848 0.003387 -0.016052 0.029347 -0.004279 11H 1py -0.001182 -0.005001 0.013815 -0.002976 -0.012125 -0.007210 12H 1s 0.017943 0.006368 0.009744 -0.021245 -0.006823 0.020797 12H 2s 0.151483 -0.009426 0.087869 0.388574 0.138679 0.146425 12H 3s -0.325767 -0.085407 -0.312860 -0.060626 -0.097221 -0.132859 12H 1pz 0.003079 -0.007778 0.010412 0.003797 -0.012842 0.005606 12H 1px -0.014267 0.015323 0.018843 -0.011679 0.003625 0.038844 12H 1py 0.024812 -0.009841 0.010630 0.052116 -0.003142 0.021203 13H 1s -0.053538 -0.024006 0.008991 0.017796 0.008084 -0.020197 13H 2s 0.468940 0.193368 -0.043338 -0.536807 0.088481 0.341044 13H 3s 0.315743 -0.150776 -0.159705 0.104212 0.011264 -0.303317 13H 1pz 0.020033 0.000498 0.020967 -0.029053 0.032554 0.009924 13H 1px -0.016569 0.000070 -0.007643 0.022790 -0.012217 0.003238 13H 1py -0.030186 -0.020672 -0.006794 0.035686 0.008617 -0.026886 14H 1s -0.025287 -0.003026 -0.018583 -0.007211 -0.008060 0.002622 14H 2s -0.112578 0.007508 0.146943 0.179139 -0.310123 -0.282084 14H 3s 0.429759 -0.051224 0.005657 0.066785 0.300706 -0.017568 14H 1pz -0.024800 -0.021296 0.038130 0.020226 -0.008097 -0.055782 14H 1px 0.002298 0.007112 -0.000492 0.003687 -0.047757 -0.024720 14H 1py -0.000427 -0.000726 0.004843 0.009904 0.018840 0.007885 15H 1s -0.002472 0.022329 -0.042513 -0.035315 -0.031007 0.042886 15H 2s -0.063135 -0.175873 0.077800 0.473583 0.297020 -0.094431 15H 3s 0.180069 0.043799 0.378896 0.020121 0.084306 0.054000 15H 1pz -0.003194 -0.016852 0.004920 -0.013361 0.016526 -0.029887 15H 1px 0.010416 0.006004 -0.008713 -0.003053 -0.002988 0.011477 15H 1py 0.004844 0.021806 0.006542 -0.026718 -0.049174 0.005397 16H 1s -0.001358 0.011521 -0.016992 0.014209 -0.003640 -0.002686 16H 2s -0.081501 -0.000338 -0.096958 -0.092472 0.079655 -0.048707 16H 3s -0.135866 -0.006127 0.071026 -0.058818 -0.050430 -0.067884 16H 1pz -0.013278 0.029336 -0.001774 -0.030986 0.023675 -0.018787 16H 1px -0.026066 0.007323 -0.055596 0.000680 0.012854 0.013487 16H 1py 0.001552 -0.078729 0.028653 0.030175 -0.049988 0.035538 17H 1s 0.002033 0.010748 0.000783 -0.021628 0.003872 0.002895 17H 2s -0.009213 0.009332 -0.100955 -0.007050 0.164254 -0.040938 17H 3s 0.125816 0.010904 0.042021 0.090948 0.004381 0.039421 17H 1pz -0.003018 -0.035888 0.035386 0.020913 -0.053613 0.009455 17H 1px 0.014794 -0.024240 0.010806 -0.048408 0.026694 -0.018559 17H 1py 0.013133 -0.074965 0.038815 0.004407 -0.032248 -0.004761 18H 1s 0.001309 0.010928 -0.001048 0.021814 -0.003267 -0.002001 18H 2s -0.014508 0.007742 0.102718 0.007706 -0.158385 0.047245 18H 3s 0.122754 0.011529 -0.039085 -0.090955 -0.005053 -0.038509 18H 1pz 0.002469 0.034265 0.033992 0.021332 -0.052083 0.011651 18H 1px -0.013689 0.023401 0.010563 -0.048813 0.025051 -0.020658 18H 1py -0.013746 0.076133 0.038988 0.005308 -0.033899 -0.003833 19H 1s -0.001925 0.011421 0.017286 -0.013899 0.003485 0.003515 19H 2s -0.086090 -0.000327 0.096268 0.093750 -0.075305 0.055241 19H 3s -0.137327 -0.006786 -0.073200 0.056421 0.051696 0.068488 19H 1pz 0.013338 -0.031243 -0.001889 -0.031617 0.024566 -0.020153 19H 1px 0.026837 -0.008065 -0.055610 -0.000651 0.013273 0.011198 19H 1py -0.001458 0.077568 0.027553 0.029546 -0.048667 0.037101 20H 1s -0.002916 0.022288 0.042331 0.034933 0.030684 -0.043486 20H 2s -0.059921 -0.177068 -0.077399 -0.471873 -0.293618 0.104501 20H 3s 0.182897 0.042790 -0.376277 -0.016332 -0.088235 -0.053444 20H 1pz 0.003271 0.016678 0.005064 -0.013467 0.016008 -0.029767 20H 1px -0.010598 -0.006324 -0.009172 -0.003078 -0.003344 0.012137 20H 1py -0.004812 -0.022070 0.006387 -0.026957 -0.048644 0.006699 21H 1s -0.025214 -0.002593 0.018697 0.007433 0.008752 -0.002633 21H 2s -0.108321 0.004085 -0.155672 -0.181780 0.304042 0.283430 21H 3s 0.422369 -0.050220 -0.001316 -0.069340 -0.301320 0.016785 21H 1pz 0.024266 0.021489 0.039079 0.020163 -0.008392 -0.056862 21H 1px -0.002768 -0.007422 -0.000454 0.003744 -0.047481 -0.023718 21H 1py 0.000258 0.000660 0.004683 0.009871 0.018354 0.007798 22H 1s -0.053474 -0.024316 -0.010202 -0.017941 -0.007974 0.021668 22H 2s 0.461363 0.197466 0.054203 0.537704 -0.088280 -0.351233 22H 3s 0.315955 -0.152716 0.163793 -0.101720 -0.010678 0.298402 22H 1pz -0.019680 -0.000753 0.020034 -0.028936 0.032217 0.010415 22H 1px 0.016014 -0.000181 -0.007700 0.022740 -0.012370 0.003604 22H 1py 0.029849 0.020751 -0.006359 0.035633 0.008002 -0.028136 23H 1s 0.017403 0.007112 -0.010333 0.022121 0.006612 -0.021428 23H 2s 0.161141 -0.021828 -0.078499 -0.398155 -0.134157 -0.139113 23H 3s -0.330718 -0.076411 0.313659 0.057760 0.096964 0.122295 23H 1pz -0.003615 0.008457 0.010019 0.004064 -0.013216 0.004618 23H 1px 0.013956 -0.014978 0.018446 -0.011686 0.003468 0.039538 23H 1py -0.025684 0.010805 0.010063 0.052149 -0.003593 0.020721 24H 1s 0.002565 0.018458 -0.034485 0.033586 -0.007481 -0.021985 24H 2s 0.102782 -0.173976 0.352629 -0.038155 -0.299045 0.316051 24H 3s -0.231090 0.002523 0.067745 -0.316929 -0.027064 0.107801 24H 1pz -0.008886 0.027543 -0.021724 -0.009119 0.027272 -0.062779 24H 1px 0.010929 -0.007604 0.003707 -0.016346 0.029809 -0.003915 24H 1py 0.001500 0.004450 0.013872 -0.003542 -0.011580 -0.006643 25H 1s 0.057720 -0.017690 0.013769 -0.015424 -0.001121 0.013303 25H 2s -0.515179 0.177130 -0.152722 0.283095 0.358890 -0.173605 25H 3s -0.285525 -0.224499 -0.164658 0.010884 -0.128945 0.093126 25H 1pz 0.036879 -0.018920 0.005482 -0.005334 -0.040717 0.022607 25H 1px -0.018269 -0.002723 0.000854 0.003548 0.032598 0.012680 25H 1py 0.010994 -0.006093 -0.006763 -0.004213 -0.010560 -0.006656 26O 1s -0.014732 -0.002210 0.006444 -0.003269 -0.003106 -0.002126 26O 2s -0.029924 -0.000735 0.014983 -0.008168 -0.004100 -0.001941 26O 3s -0.077592 -0.085523 0.003216 0.007905 -0.068738 -0.058946 26O 4s 1.229683 0.709006 -0.272629 0.097177 0.629028 0.470958 26O 5s -3.837612 -3.010013 -0.437765 0.678560 -1.764475 -2.145588 26O 1pz 0.009158 -0.023043 -0.023573 0.017035 0.007399 -0.006722 26O 1px 0.046736 -0.002691 0.015722 -0.025147 -0.018657 0.011249 26O 1py 0.020130 -0.015913 -0.019741 -0.003854 -0.024248 0.012852 26O 2pz 0.048942 0.097077 -0.049461 -0.019166 0.109682 0.101780 26O 2px -0.002250 0.097522 0.099434 -0.101261 -0.054483 0.032329 26O 2py 0.048068 0.104117 0.012681 -0.010875 -0.013935 0.119902 26O 3pz -0.754715 -1.001213 0.391159 0.060225 -0.499883 -0.492681 26O 3px 0.828656 0.626789 0.198746 -0.129092 0.228135 0.476985 26O 3py -0.235294 -0.407605 0.146586 -0.266854 -0.116456 -0.146807 26O 1dz2 -0.000431 0.000967 0.002205 -0.000095 0.003046 0.002177 26O 1dxz -0.003914 0.002480 0.000594 0.000267 0.007196 0.002817 26O 1dyz 0.000978 0.006684 0.004622 -0.002777 0.008978 0.003580 26O 1dx2y2 0.004933 0.001962 -0.000232 -0.001306 -0.002445 -0.000877 26O 1dxy 0.001982 0.005436 0.000809 -0.000650 0.001716 0.006007 26O 2dz2 0.020171 0.013642 0.034243 -0.038175 0.028278 0.013105 26O 2dxz -0.026650 0.019589 -0.037624 0.020048 0.059197 -0.013255 26O 2dyz 0.051683 0.035770 0.032642 -0.031086 0.053914 0.075552 26O 2dx2y2 -0.002250 -0.015541 0.004510 -0.015834 0.012547 -0.011354 26O 2dxy -0.015155 0.008645 -0.026711 0.007653 0.012509 0.052411 26O 1f0 0.002422 0.000003 -0.002332 -0.000265 -0.000488 -0.002995 26O 1f+1 -0.000453 0.001241 -0.003058 0.000411 0.002569 0.001545 26O 1f-1 0.002688 -0.003121 -0.002624 0.001098 -0.000575 0.001300 26O 1f+2 -0.003599 -0.000815 0.003557 -0.002768 0.001278 -0.001023 26O 1f-2 -0.000640 0.000918 -0.001240 -0.000243 0.002321 0.003137 26O 1f+3 -0.002088 -0.001217 0.000488 -0.001200 0.001311 0.000740 26O 1f-3 0.000068 -0.000375 -0.003341 0.000919 -0.002532 0.003035 27O 1s 0.015508 -0.000917 -0.002902 -0.007410 0.002610 -0.005753 27O 2s 0.031244 0.001754 -0.008146 -0.015853 0.002564 -0.011780 27O 3s 0.087437 -0.073572 0.027625 -0.034074 0.073162 -0.019195 27O 4s -1.335098 0.570307 -0.057393 0.579314 -0.641718 0.333638 27O 5s 4.104867 -2.761059 0.926389 -0.562543 2.485120 -2.115216 27O 1pz -0.003160 -0.011815 0.005541 0.017339 0.008242 0.013254 27O 1px -0.039823 -0.000859 -0.014092 -0.017666 -0.004232 0.056205 27O 1py 0.014121 0.025507 -0.012988 -0.019754 -0.006058 -0.039621 27O 2pz -0.055508 0.053600 0.033938 0.047222 -0.075488 0.094824 27O 2px -0.015901 0.162687 -0.057280 -0.110951 -0.040691 0.210706 27O 2py 0.062265 -0.124115 0.032181 -0.065590 0.089816 -0.221630 27O 3pz 0.741225 -0.680521 -0.185184 -0.194265 0.456839 -0.569088 27O 3px -0.607736 0.413556 -0.111291 -0.184771 -0.186916 0.424407 27O 3py -0.823915 0.865056 -0.138472 0.545457 -0.512575 0.613967 27O 1dz2 0.002887 -0.003844 0.000915 -0.000304 0.003903 -0.000562 27O 1dxz 0.002525 0.001941 -0.000423 0.002657 -0.004953 -0.002076 27O 1dyz 0.003565 -0.005678 0.005005 -0.000180 0.006848 0.002533 27O 1dx2y2 -0.003111 0.000900 0.002324 -0.002311 0.003686 0.006710 27O 1dxy -0.001858 -0.006058 0.002542 -0.003728 0.007140 -0.002057 27O 2dz2 0.012407 -0.007212 0.030339 -0.003939 0.018819 -0.026830 27O 2dxz 0.000228 0.016397 0.014709 0.032184 -0.019205 -0.012212 27O 2dyz 0.039964 -0.024521 0.037445 0.012878 0.065908 -0.036873 27O 2dx2y2 0.020345 -0.035968 0.021926 0.007722 0.005209 -0.026005 27O 2dxy -0.003877 -0.023502 0.009942 -0.035962 0.026152 -0.035313 27O 1f0 -0.000324 0.002823 0.000559 0.000180 -0.000475 -0.002685 27O 1f+1 0.000106 -0.000637 0.000854 0.000688 -0.000467 0.000899 27O 1f-1 0.001063 0.001339 -0.002173 0.001248 -0.000015 0.000473 27O 1f+2 0.003548 0.001916 -0.002443 -0.001438 -0.001747 0.000052 27O 1f-2 0.002083 -0.001261 -0.002117 -0.002633 0.000647 -0.004602 27O 1f+3 0.000711 -0.001013 0.000484 0.001894 -0.001183 0.005680 27O 1f-3 0.002636 0.000555 -0.002247 -0.000359 -0.004114 -0.003904 28O 1s -0.015598 -0.002670 0.006684 -0.003541 -0.006370 -0.004762 28O 2s -0.033617 -0.001410 0.014797 -0.008984 -0.014585 -0.009575 28O 3s -0.045927 -0.090807 0.022820 0.010865 0.007602 -0.021244 28O 4s 1.132294 0.740811 -0.503952 0.136465 0.172900 0.305387 28O 5s -3.884868 -3.124576 0.392362 0.427635 -0.942548 -1.732549 28O 1pz 0.020580 -0.016631 0.012467 -0.019696 0.063297 0.048589 28O 1px -0.029937 -0.015145 -0.028732 0.025789 -0.012425 -0.022933 28O 1py 0.009006 -0.011845 -0.009838 0.000554 0.018472 0.036473 28O 2pz -0.007301 0.171797 0.038834 -0.103825 0.213974 0.201768 28O 2px -0.019368 -0.075389 -0.149562 0.086902 -0.034901 -0.081245 28O 2py 0.013437 0.088185 -0.010329 0.031962 0.061129 0.156332 28O 3pz -0.059141 -0.555604 0.441661 0.148933 -0.204075 -0.343044 28O 3px -0.908705 -0.875040 0.167612 -0.001662 -0.515220 -0.462899 28O 3py -0.427767 -0.713528 0.117612 -0.192625 -0.223714 -0.420814 28O 1dz2 -0.002888 0.004161 -0.003616 0.000046 -0.003348 -0.001372 28O 1dxz -0.002044 -0.003516 -0.000241 0.000488 -0.006721 -0.002037 28O 1dyz 0.001397 0.006824 -0.002445 0.000045 -0.007528 0.000077 28O 1dx2y2 0.004995 0.001435 0.002413 -0.000872 0.002720 0.003920 28O 1dxy 0.002276 0.000595 0.002099 -0.002625 -0.000475 -0.002979 28O 2dz2 -0.014823 0.038476 -0.001707 -0.025011 0.039732 0.017086 28O 2dxz 0.013045 0.018187 0.007369 0.003850 -0.001400 -0.011952 28O 2dyz -0.013075 0.050522 -0.000849 -0.012045 -0.006978 0.064801 28O 2dx2y2 0.012812 -0.018491 0.001880 -0.016420 -0.008496 -0.003936 28O 2dxy -0.012637 -0.003081 0.020831 -0.015480 0.009279 -0.031276 28O 1f0 -0.001888 0.000017 -0.001170 -0.002223 0.003696 0.000807 28O 1f+1 0.001752 0.000984 0.000565 -0.001366 0.004545 0.000769 28O 1f-1 0.000452 -0.000619 -0.001329 0.000364 0.004431 0.003664 28O 1f+2 0.000911 0.000926 -0.000799 -0.000065 -0.004112 -0.006228 28O 1f-2 0.000642 -0.001770 0.000239 -0.000349 0.001174 0.000601 28O 1f+3 0.001561 0.000410 0.000618 0.001449 0.001244 -0.002007 28O 1f-3 0.001462 0.002463 -0.000952 0.000930 0.001959 0.004199 29O 1s 0.000955 -0.007091 0.000317 -0.002525 -0.001001 0.002033 29O 2s 0.002324 -0.018404 0.000153 -0.006184 -0.001955 0.004696 29O 3s -0.003995 0.043004 0.011899 0.007805 -0.006446 -0.000605 29O 4s -0.033020 0.075995 -0.085138 0.083029 0.093682 -0.104144 29O 5s 0.124932 -0.117788 0.229313 -0.234469 -0.298996 0.311764 29O 1pz 0.012031 0.023153 -0.007307 -0.006601 0.000446 0.011530 29O 1px 0.009674 -0.070208 0.013884 -0.004697 -0.014272 0.013731 29O 1py 0.003683 0.009402 0.016421 -0.002324 0.012076 -0.001394 29O 2pz 0.015943 0.017356 0.013886 -0.032354 0.014600 0.001108 29O 2px 0.021136 -0.053087 0.025649 -0.022224 -0.016513 0.017692 29O 2py -0.003922 -0.008168 0.014311 0.008186 -0.002634 0.001859 29O 3pz -0.166661 -0.031392 -0.061715 0.005741 -0.064404 -0.050565 29O 3px -0.071085 0.094557 -0.034361 0.159359 -0.012839 -0.097057 29O 3py -0.035122 0.091434 -0.226935 -0.075794 0.163797 -0.073714 29O 1dz2 -0.000807 0.000947 0.000474 0.001115 -0.001874 -0.000214 29O 1dxz 0.000753 0.002875 0.000867 0.000447 0.000321 -0.000375 29O 1dyz 0.000004 0.001009 -0.000648 -0.000589 -0.000028 -0.001290 29O 1dx2y2 0.001033 -0.006284 0.001188 -0.000248 -0.000574 0.000543 29O 1dxy 0.000573 -0.002057 0.000906 0.000384 -0.001618 0.000052 29O 2dz2 0.008871 -0.041513 0.018962 0.076279 -0.040754 0.023296 29O 2dxz 0.011220 0.012703 0.054410 -0.051152 -0.033467 -0.015872 29O 2dyz -0.018128 0.027503 -0.023603 -0.022289 0.040021 -0.027982 29O 2dx2y2 0.004621 -0.141747 0.021568 -0.038498 -0.036433 0.018786 29O 2dxy 0.007424 -0.030416 0.074205 0.027227 -0.017818 0.003620 29O 1f0 -0.000342 -0.002214 0.001274 -0.000387 -0.000114 0.000779 29O 1f+1 0.000111 0.001280 0.000074 -0.001798 -0.000099 0.000170 29O 1f-1 -0.000487 0.000124 0.001886 -0.001634 0.000394 0.000203 29O 1f+2 -0.000367 0.002223 -0.001718 0.001344 0.000846 -0.000093 29O 1f-2 0.000198 -0.000119 -0.000430 0.003146 -0.000259 -0.000836 29O 1f+3 -0.000008 0.001347 -0.001173 -0.001674 0.000077 0.000030 29O 1f-3 -0.000067 -0.000199 0.001728 -0.001573 0.000927 0.000470 30O 1s 0.015823 -0.000804 -0.003522 -0.007763 0.006137 -0.003935 30O 2s 0.033181 0.002328 -0.008604 -0.017320 0.013368 -0.005408 30O 3s 0.063893 -0.079193 -0.000170 -0.016679 0.005714 -0.073268 30O 4s -1.260221 0.581438 0.219492 0.434110 -0.243683 0.647631 30O 5s 4.419229 -2.736918 0.533022 -0.301307 1.507103 -2.651650 30O 1pz -0.025611 -0.007409 -0.020586 0.013297 -0.055423 0.002148 30O 1px 0.035944 -0.009588 0.041240 0.024810 0.021734 0.002849 30O 1py 0.007055 0.018596 0.021683 -0.005194 0.057748 -0.024915 30O 2pz -0.048105 0.131498 -0.047907 -0.022551 -0.199038 0.088942 30O 2px 0.019110 -0.048975 0.144204 0.123361 0.057705 0.034028 30O 2py -0.008383 -0.172099 0.106152 -0.002098 0.196286 -0.198548 30O 3pz 0.022404 -0.306262 -0.324012 0.016464 0.285839 -0.266784 30O 3px 1.237667 -0.948315 0.038045 -0.340600 0.499753 -0.698594 30O 3py -0.111309 0.675785 0.009583 0.304912 -0.441635 0.498549 30O 1dz2 0.003790 -0.001511 0.001906 0.001801 -0.000920 -0.001185 30O 1dxz 0.003794 -0.001413 0.001470 -0.002541 0.005792 0.002385 30O 1dyz 0.002542 -0.008471 -0.001321 0.002675 -0.002910 -0.007825 30O 1dx2y2 -0.005587 -0.003253 -0.004281 0.001002 -0.005655 -0.005333 30O 1dxy -0.000190 0.000621 -0.001921 0.002872 -0.003155 0.001268 30O 2dz2 0.003578 -0.003643 0.031194 0.022276 -0.015498 -0.038228 30O 2dxz -0.011418 0.022666 0.002555 -0.024727 0.019842 0.014930 30O 2dyz -0.003420 -0.036006 0.013044 -0.008296 0.023558 -0.077844 30O 2dx2y2 -0.014023 -0.045904 0.000293 -0.010046 0.021631 -0.060198 30O 2dxy 0.014404 -0.020333 0.017022 0.024705 -0.006849 0.008282 30O 1f0 0.000701 0.000762 -0.000857 -0.000023 -0.000934 -0.000287 30O 1f+1 -0.001458 0.001559 0.000453 0.001976 -0.003465 -0.001527 30O 1f-1 0.000235 -0.000706 -0.001590 -0.000058 0.002730 -0.000822 30O 1f+2 -0.001899 0.001211 0.000431 -0.002493 0.003358 -0.002734 30O 1f-2 0.000103 0.002570 0.001510 -0.002377 0.005141 0.000475 30O 1f+3 -0.003658 0.000214 -0.001210 0.003424 -0.003138 0.000204 30O 1f-3 -0.001121 -0.001258 0.000946 -0.002869 0.003709 -0.005714 31O 1s 0.015676 -0.000807 0.003644 0.007805 -0.006174 0.003786 31O 2s 0.032846 0.002343 0.008827 0.017397 -0.013457 0.005138 31O 3s 0.063735 -0.079641 0.001486 0.017075 -0.005934 0.071577 31O 4s -1.252607 0.582736 -0.233741 -0.438223 0.243582 -0.628492 31O 5s 4.408408 -2.737113 -0.504569 0.312051 -1.456125 2.628626 31O 1pz 0.025154 0.007225 -0.020718 0.013301 -0.055544 0.003225 31O 1px -0.036115 0.009426 0.041045 0.024752 0.021343 0.002116 31O 1py -0.006962 -0.018454 0.022387 -0.005391 0.058400 -0.026379 31O 2pz 0.047514 -0.131912 -0.049497 -0.022871 -0.195658 0.092684 31O 2px -0.020518 0.048835 0.146251 0.123670 0.054607 0.030451 31O 2py 0.007488 0.172249 0.109201 -0.002287 0.192444 -0.202495 31O 3pz -0.014737 0.309364 -0.319720 0.017602 0.292189 -0.265160 31O 3px -1.229735 0.944039 0.027277 -0.342702 0.478383 -0.687432 31O 3py 0.109511 -0.678398 0.002882 0.304091 -0.441599 0.494508 31O 1dz2 0.003800 -0.001502 -0.001880 -0.001777 0.000914 0.001152 31O 1dxz 0.003763 -0.001409 -0.001430 0.002546 -0.005740 -0.002337 31O 1dyz 0.002579 -0.008435 0.001307 -0.002671 0.003082 0.007864 31O 1dx2y2 -0.005504 -0.003238 0.004192 -0.001019 0.005727 0.005381 31O 1dxy -0.000165 0.000604 0.001924 -0.002890 0.003139 -0.001332 31O 2dz2 0.004054 -0.003577 -0.030885 -0.022076 0.015787 0.037965 31O 2dxz -0.011498 0.021926 -0.002161 0.025033 -0.021207 -0.015387 31O 2dyz -0.003014 -0.036577 -0.012544 0.008566 -0.023874 0.077903 31O 2dx2y2 -0.014025 -0.046128 -0.000603 0.009923 -0.020979 0.060045 31O 2dxy 0.015014 -0.019373 -0.017132 -0.024952 0.008959 -0.008397 31O 1f0 -0.000724 -0.000795 -0.000852 -0.000009 -0.000989 -0.000235 31O 1f+1 0.001436 -0.001574 0.000470 0.001976 -0.003473 -0.001525 31O 1f-1 -0.000214 0.000710 -0.001608 -0.000056 0.002703 -0.000821 31O 1f+2 0.001878 -0.001176 0.000429 -0.002504 0.003423 -0.002775 31O 1f-2 -0.000088 -0.002500 0.001454 -0.002409 0.005289 0.000399 31O 1f+3 0.003627 -0.000237 -0.001143 0.003439 -0.003173 0.000178 31O 1f-3 0.001160 0.001312 0.000932 -0.002891 0.003779 -0.005768 32O 1s 0.000879 -0.006980 -0.000287 0.002549 0.001036 -0.002114 32O 2s 0.002115 -0.018151 -0.000053 0.006252 0.002095 -0.004890 32O 3s -0.003192 0.043055 -0.012561 -0.008040 0.005160 0.000753 32O 4s -0.033755 0.070143 0.087491 -0.083314 -0.087715 0.106604 32O 5s 0.124501 -0.101669 -0.235379 0.236547 0.282218 -0.315130 32O 1pz -0.012184 -0.022575 -0.007216 -0.006607 0.000583 0.010858 32O 1px -0.009338 0.070030 0.013296 -0.004387 -0.014788 0.015083 32O 1py -0.004187 -0.009345 0.016270 -0.002090 0.012015 -0.001453 32O 2pz -0.016059 -0.017646 0.014196 -0.032750 0.014002 0.000568 32O 2px -0.020532 0.052170 0.025260 -0.021952 -0.016796 0.018964 32O 2py 0.002172 0.008249 0.014945 0.007711 -0.001682 0.003146 32O 3pz 0.168580 0.031661 -0.056073 0.007017 -0.066074 -0.051426 32O 3px 0.060931 -0.088149 -0.033351 0.161544 -0.012547 -0.089187 32O 3py 0.048937 -0.090145 -0.228883 -0.077678 0.154468 -0.084920 32O 1dz2 -0.000768 0.000921 -0.000498 -0.001151 0.001854 0.000200 32O 1dxz 0.000758 0.002862 -0.000856 -0.000442 -0.000370 0.000438 32O 1dyz -0.000014 0.000919 0.000581 0.000559 0.000118 0.001347 32O 1dx2y2 0.001029 -0.006274 -0.001107 0.000211 0.000653 -0.000685 32O 1dxy 0.000653 -0.002106 -0.000928 -0.000413 0.001596 -0.000178 32O 2dz2 0.009525 -0.042634 -0.018835 -0.076880 0.040696 -0.027358 32O 2dxz 0.011670 0.012590 -0.054124 0.050792 0.033247 0.014941 32O 2dyz -0.017552 0.021987 0.020942 0.020448 -0.036000 0.027964 32O 2dx2y2 0.004084 -0.141314 -0.020872 0.038476 0.037636 -0.019581 32O 2dxy 0.008319 -0.032528 -0.075058 -0.027448 0.018662 -0.005032 32O 1f0 0.000234 0.002198 0.001198 -0.000300 -0.000083 0.000880 32O 1f+1 -0.000077 -0.001330 0.000078 -0.001887 -0.000123 0.000111 32O 1f-1 0.000440 -0.000106 0.001929 -0.001536 0.000400 0.000299 32O 1f+2 0.000412 -0.002195 -0.001754 0.001292 0.000862 -0.000147 32O 1f-2 -0.000251 0.000086 -0.000495 0.003186 -0.000176 -0.000812 32O 1f+3 0.000053 -0.001375 -0.001176 -0.001589 0.000065 -0.000076 32O 1f-3 0.000082 0.000220 0.001781 -0.001622 0.000889 0.000395 33O 1s -0.015528 -0.002654 -0.006782 0.003468 0.006403 0.004654 33O 2s -0.033470 -0.001371 -0.015017 0.008834 0.014623 0.009374 33O 3s -0.045454 -0.090955 -0.022965 -0.011378 -0.006556 0.019906 33O 4s 1.126192 0.741843 0.508583 -0.130429 -0.180668 -0.290348 33O 5s -3.895525 -3.118886 -0.399404 -0.419923 0.932041 1.739189 33O 1pz -0.020438 0.016485 0.012206 -0.019523 0.062622 0.050641 33O 1px 0.030232 0.014843 -0.028750 0.025749 -0.012107 -0.023523 33O 1py -0.008786 0.011672 -0.010029 0.000821 0.018191 0.037725 33O 2pz 0.007902 -0.172290 0.039609 -0.101073 0.210171 0.210153 33O 2px 0.021767 0.074799 -0.150732 0.084524 -0.031699 -0.086564 33O 2py -0.013196 -0.088935 -0.010468 0.033022 0.059424 0.159370 33O 3pz 0.036647 0.566420 0.437969 0.149046 -0.205224 -0.355075 33O 3px 0.917588 0.868076 0.166287 -0.004310 -0.514535 -0.457294 33O 3py 0.423077 0.717550 0.118298 -0.195708 -0.219365 -0.419358 33O 1dz2 -0.002962 0.004254 0.003565 -0.000112 0.003384 0.001262 33O 1dxz -0.002105 -0.003437 0.000231 -0.000441 0.006687 0.002103 33O 1dyz 0.001348 0.006935 0.002385 -0.000094 0.007557 -0.000190 33O 1dx2y2 0.005078 0.001368 -0.002394 0.000897 -0.002771 -0.003862 33O 1dxy 0.002275 0.000601 -0.002077 0.002648 0.000453 0.003115 33O 2dz2 -0.015155 0.038382 0.001678 0.024492 -0.040258 -0.017495 33O 2dxz 0.013141 0.018446 -0.007932 -0.004510 0.002515 0.011436 33O 2dyz -0.012833 0.050930 0.000563 0.012498 0.007167 -0.064918 33O 2dx2y2 0.012472 -0.019078 -0.001058 0.016722 0.007810 0.004398 33O 2dxy -0.012893 -0.002942 -0.020845 0.015315 -0.008929 0.031666 33O 1f0 0.001935 -0.000021 -0.001165 -0.002247 0.003744 0.000875 33O 1f+1 -0.001761 -0.000921 0.000526 -0.001410 0.004601 0.000700 33O 1f-1 -0.000446 0.000626 -0.001374 0.000330 0.004431 0.003605 33O 1f+2 -0.000908 -0.000967 -0.000715 -0.000018 -0.004156 -0.006263 33O 1f-2 -0.000615 0.001786 0.000228 -0.000422 0.001227 0.000559 33O 1f+3 -0.001568 -0.000402 0.000646 0.001446 0.001241 -0.002078 33O 1f-3 -0.001464 -0.002447 -0.000934 0.000902 0.002004 0.004165 34O 1s 0.015353 -0.000901 0.003032 0.007432 -0.002529 0.005762 34O 2s 0.030926 0.001783 0.008388 0.015887 -0.002385 0.011843 34O 3s 0.086480 -0.073347 -0.026320 0.034480 -0.073238 0.018321 34O 4s -1.321751 0.569325 0.043138 -0.582262 0.634745 -0.327308 34O 5s 4.081827 -2.769703 -0.899879 0.567248 -2.421008 2.106042 34O 1pz 0.003197 0.011862 0.005357 0.017690 0.008122 0.013844 34O 1px 0.039784 0.000374 -0.014055 -0.017499 -0.003957 0.056942 34O 1py -0.013762 -0.025501 -0.012952 -0.019845 -0.006204 -0.041132 34O 2pz 0.054599 -0.053988 0.033818 0.047587 -0.074475 0.096355 34O 2px 0.016581 -0.163872 -0.059543 -0.111459 -0.034499 0.213241 34O 2py -0.061390 0.124807 0.033233 -0.065465 0.086428 -0.225107 34O 3pz -0.730958 0.683048 -0.190891 -0.194147 0.441296 -0.567956 34O 3px 0.621404 -0.419655 -0.107876 -0.184474 -0.182309 0.408249 34O 3py 0.813976 -0.866185 -0.133134 0.546247 -0.494429 0.616789 34O 1dz2 0.002895 -0.003887 -0.000900 0.000316 -0.003852 0.000564 34O 1dxz 0.002557 0.001963 0.000485 -0.002652 0.004901 0.001998 34O 1dyz 0.003542 -0.005722 -0.004993 0.000177 -0.006731 -0.002533 34O 1dx2y2 -0.003176 0.000923 -0.002356 0.002278 -0.003646 -0.006674 34O 1dxy -0.001938 -0.006108 -0.002607 0.003709 -0.006980 0.002180 34O 2dz2 0.012646 -0.006989 -0.030170 0.004553 -0.019663 0.027570 34O 2dxz 0.000340 0.016306 -0.014786 -0.032066 0.019029 0.011958 34O 2dyz 0.040581 -0.025240 -0.037383 -0.013091 -0.065833 0.036263 34O 2dx2y2 0.020917 -0.036686 -0.022478 -0.008260 -0.003703 0.024563 34O 2dxy -0.004099 -0.022836 -0.009506 0.036409 -0.026485 0.035425 34O 1f0 0.000313 -0.002830 0.000569 0.000163 -0.000422 -0.002736 34O 1f+1 -0.000107 0.000650 0.000891 0.000732 -0.000553 0.000994 34O 1f-1 -0.001062 -0.001350 -0.002195 0.001232 0.000027 0.000478 34O 1f+2 -0.003570 -0.001934 -0.002491 -0.001438 -0.001701 0.000161 34O 1f-2 -0.002073 0.001248 -0.002147 -0.002650 0.000662 -0.004572 34O 1f+3 -0.000722 0.001034 0.000508 0.001939 -0.001310 0.005800 34O 1f-3 -0.002635 -0.000593 -0.002331 -0.000409 -0.004027 -0.003864 35O 1s -0.014700 -0.002160 -0.006523 0.003265 0.003061 0.002026 35O 2s -0.029822 -0.000634 -0.015170 0.008162 0.003944 0.001767 35O 3s -0.078048 -0.085184 -0.003114 -0.008106 0.069949 0.057553 35O 4s 1.231684 0.702759 0.275041 -0.096215 -0.633048 -0.457333 35O 5s -3.858494 -2.990312 0.432735 -0.661980 1.746154 2.158966 35O 1pz -0.009189 0.023481 -0.023980 0.017266 0.006605 -0.005809 35O 1px -0.046973 0.002779 0.015204 -0.024723 -0.019023 0.012398 35O 1py -0.020730 0.015996 -0.020178 -0.003295 -0.024606 0.013842 35O 2pz -0.049482 -0.095408 -0.049441 -0.017280 0.107234 0.105086 35O 2px 0.000829 -0.096593 0.099498 -0.098239 -0.058320 0.038516 35O 2py -0.050559 -0.103402 0.012872 -0.008541 -0.015795 0.124305 35O 3pz 0.754958 0.993083 0.389607 0.055379 -0.492368 -0.487080 35O 3px -0.832332 -0.630883 0.199952 -0.129389 0.231973 0.475643 35O 3py 0.240952 0.401578 0.145138 -0.270915 -0.117044 -0.148287 35O 1dz2 -0.000401 0.000890 -0.002215 0.000077 -0.003013 -0.002155 35O 1dxz -0.003871 0.002387 -0.000653 -0.000355 -0.007109 -0.003027 35O 1dyz 0.001095 0.006544 -0.004683 0.002711 -0.008956 -0.003689 35O 1dx2y2 0.004878 0.001996 0.000265 0.001317 0.002418 0.000904 35O 1dxy 0.002061 0.005410 -0.000834 0.000598 -0.001675 -0.006093 35O 2dz2 0.020373 0.012971 -0.034478 0.037381 -0.027745 -0.012836 35O 2dxz -0.027486 0.019218 0.037474 -0.020312 -0.059277 0.013363 35O 2dyz 0.052396 0.035483 -0.032905 0.030828 -0.054445 -0.075428 35O 2dx2y2 -0.002810 -0.015016 -0.003856 0.016279 -0.012963 0.011603 35O 2dxy -0.015060 0.009142 0.026828 -0.007509 -0.013249 -0.052033 35O 1f0 -0.002390 -0.000032 -0.002353 -0.000288 -0.000431 -0.003076 35O 1f+1 0.000505 -0.001275 -0.003085 0.000394 0.002592 0.001570 35O 1f-1 -0.002661 0.003075 -0.002687 0.001047 -0.000528 0.001226 35O 1f+2 0.003587 0.000849 0.003589 -0.002741 0.001182 -0.000907 35O 1f-2 0.000648 -0.000898 -0.001225 -0.000221 0.002290 0.003185 35O 1f+3 0.002059 0.001208 0.000472 -0.001180 0.001309 0.000837 35O 1f-3 -0.000034 0.000291 -0.003392 0.000880 -0.002455 0.003055 294 295 296 297 298 299 1.25391 1.26080 1.29165 1.29937 1.31638 1.32754 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s 0.000020 0.003229 0.000181 -0.000565 0.000173 -0.000137 0Rh 2s 0.000155 -0.011628 -0.000852 0.001098 0.001146 0.000415 0Rh 3s 0.000215 0.011757 0.000537 -0.002635 0.001721 -0.000549 0Rh 4s -0.000821 0.054282 0.004063 -0.004766 -0.005903 -0.001904 0Rh 5s 0.002872 -0.041742 -0.005137 -0.005407 0.020653 0.000615 0Rh 6s -0.006907 -0.148978 -0.002292 0.051226 -0.051681 0.009104 0Rh 7s 0.061926 0.114753 -0.021899 -0.346588 -0.125956 -0.072949 0Rh 8s 0.123578 0.497942 0.027281 -0.009317 0.279059 -0.029420 0Rh 1pz 0.007522 0.006548 -0.003466 -0.005745 0.000109 0.010002 0Rh 1px -0.000893 -0.019202 -0.002219 0.017241 0.002287 0.007552 0Rh 1py 0.007552 -0.003992 0.000851 0.021483 0.007175 0.001938 0Rh 2pz -0.024757 -0.021691 0.011643 0.019479 -0.000333 -0.033688 0Rh 2px 0.003036 0.063682 0.007377 -0.058263 -0.007679 -0.025485 0Rh 2py -0.024349 0.013341 -0.002862 -0.071918 -0.024024 -0.006607 0Rh 3pz -0.009006 -0.004796 -0.000281 -0.005230 -0.000915 0.001337 0Rh 3px -0.000973 0.012325 0.001379 0.012220 0.001298 0.003253 0Rh 3py -0.019889 0.000567 0.000087 -0.002429 -0.001030 0.002346 0Rh 4pz 0.174617 0.141210 -0.068153 -0.086808 0.007488 0.199420 0Rh 4px -0.013278 -0.405315 -0.048397 0.269209 0.029390 0.133913 0Rh 4py 0.217083 -0.078103 0.016796 0.423582 0.144517 0.028102 0Rh 5pz -0.258631 -0.233297 0.140483 0.116129 -0.029879 -0.381796 0Rh 5px 0.024647 0.647945 0.088440 -0.342567 0.031468 -0.216329 0Rh 5py -0.341852 0.134910 -0.030957 -0.693079 -0.269411 -0.039489 0Rh 6pz -0.140298 0.555297 -1.639521 -0.163434 0.151786 2.445546 0Rh 6px -0.330518 -1.224933 -0.604643 0.125566 -1.155547 0.864003 0Rh 6py 0.098983 -0.697341 0.146152 2.269033 2.484198 -0.041221 0Rh 1dz2 -0.024040 0.015560 -0.009731 -0.003722 0.015987 -0.022428 0Rh 1dxz -0.005012 0.020796 -0.012479 0.001643 0.022745 0.021386 0Rh 1dyz -0.058999 0.003176 -0.049517 -0.008501 0.002055 -0.020071 0Rh 1dx2y2 -0.001287 -0.029454 -0.012090 -0.011487 -0.042893 0.004818 0Rh 1dxy -0.038191 -0.017353 -0.017464 0.021953 0.020968 -0.004917 0Rh 2dz2 0.004106 -0.002278 0.003923 0.000214 -0.003252 0.003731 0Rh 2dxz 0.002200 -0.002432 0.000730 -0.000326 -0.004272 -0.003495 0Rh 2dyz 0.010561 -0.000366 0.011915 0.001593 -0.001237 0.003175 0Rh 2dx2y2 -0.000243 0.004269 0.001982 0.001858 0.006541 -0.000892 0Rh 2dxy 0.009047 0.002286 0.004466 -0.004261 -0.002216 0.000317 0Rh 3dz2 0.035183 -0.024301 0.004480 0.007383 -0.021504 0.034009 0Rh 3dxz 0.001527 -0.035193 0.024550 -0.002192 -0.032272 -0.032843 0Rh 3dyz 0.084323 -0.005362 0.057902 0.012168 0.000891 0.031033 0Rh 3dx2y2 0.004008 0.046209 0.018137 0.017400 0.067090 -0.006928 0Rh 3dxy 0.045352 0.028350 0.019283 -0.030802 -0.037266 0.009530 0Rh 4dz2 0.079452 -0.048710 0.069809 0.005335 -0.060559 0.072420 0Rh 4dxz 0.037398 -0.055697 0.021572 -0.007661 -0.080291 -0.068510 0Rh 4dyz 0.201447 -0.009363 0.228510 0.028148 -0.021178 0.062157 0Rh 4dx2y2 -0.004711 0.090293 0.042202 0.039854 0.132805 -0.016968 0Rh 4dxy 0.160253 0.049020 0.084776 -0.075873 -0.050996 0.009078 0Rh 5dz2 -0.215667 0.159790 -0.385719 0.013851 0.199119 -0.213006 0Rh 5dxz -0.171022 0.167228 -0.020964 0.047208 0.241805 0.221396 0Rh 5dyz -0.568523 0.044023 -1.075356 -0.066447 0.121696 -0.157507 0Rh 5dx2y2 0.052633 -0.279088 -0.178241 -0.165956 -0.386419 0.055575 0Rh 5dxy -0.515082 -0.134465 -0.407434 0.194608 0.130203 -0.008753 0Rh 1f0 0.006922 0.019155 -0.009649 -0.019386 -0.014665 0.031089 0Rh 1f+1 -0.001211 -0.007924 0.003723 -0.015857 -0.009834 -0.010549 0Rh 1f-1 0.017376 0.002417 0.011646 -0.036483 -0.026145 -0.061995 0Rh 1f+2 -0.002948 -0.012866 -0.023130 -0.046297 -0.029314 0.063812 0Rh 1f-2 -0.009827 -0.003752 0.000421 -0.038465 -0.023773 -0.012054 0Rh 1f+3 0.004660 -0.022009 0.008907 -0.007210 -0.003176 -0.038099 0Rh 1f-3 0.003512 -0.009113 -0.004097 -0.009734 -0.005065 0.010557 1Rh 1s -0.000178 0.003217 0.000215 0.000534 0.000194 0.000126 1Rh 2s 0.000413 -0.011607 -0.000899 -0.000982 0.001086 -0.000503 1Rh 3s -0.000788 0.011697 0.000706 0.002521 0.001806 0.000427 1Rh 4s -0.001830 0.054193 0.004254 0.004220 -0.005628 0.002356 1Rh 5s -0.000808 -0.041907 -0.004581 0.005862 0.020603 -0.002140 1Rh 6s 0.013984 -0.147745 -0.005717 -0.049873 -0.053136 -0.005410 1Rh 7s -0.066968 0.107081 0.003549 0.354835 -0.111552 0.078879 1Rh 8s -0.148167 0.491030 0.021711 -0.001280 0.278289 0.009676 1Rh 1pz 0.007897 -0.006613 0.002948 -0.006096 0.000613 0.009957 1Rh 1px -0.001947 0.018845 0.003299 0.017040 -0.001112 0.007590 1Rh 1py 0.007213 0.004540 0.001070 0.021590 -0.006245 0.002623 1Rh 2pz -0.025998 0.021913 -0.009894 0.020657 -0.002087 -0.033538 1Rh 2px 0.006533 -0.062489 -0.011030 -0.057607 0.003719 -0.025605 1Rh 2py -0.023215 -0.015110 -0.003572 -0.072276 0.020894 -0.008905 1Rh 3pz -0.009293 0.004704 -0.000025 -0.005246 0.000699 0.001321 1Rh 3px -0.000359 -0.012267 -0.000458 0.012587 -0.000781 0.003142 1Rh 3py -0.019867 -0.001941 -0.000187 -0.002457 0.001296 0.002272 1Rh 4pz 0.182752 -0.142128 0.059568 -0.093817 0.008279 0.198573 1Rh 4px -0.035131 0.398373 0.064521 0.263643 -0.009240 0.134385 1Rh 4py 0.210534 0.093588 0.020534 0.425821 -0.127523 0.041885 1Rh 5pz -0.272213 0.234944 -0.127799 0.130977 -0.001416 -0.380214 1Rh 5px 0.058432 -0.637219 -0.108065 -0.329862 -0.060885 -0.211836 1Rh 5py -0.330621 -0.159071 -0.029513 -0.697740 0.241763 -0.065359 1Rh 6pz -0.098830 -0.573921 1.601005 -0.360806 0.053173 2.404114 1Rh 6px -0.377894 1.194511 0.603587 0.014247 1.226553 0.764403 1Rh 6py 0.035205 0.701495 0.042844 2.331755 -2.392039 0.185329 1Rh 1dz2 0.023535 0.016855 -0.009957 0.003209 0.017360 0.020431 1Rh 1dxz 0.004100 0.021426 -0.012474 -0.000503 0.020818 -0.022499 1Rh 1dyz 0.058670 0.007026 -0.049147 0.011554 0.002341 0.018851 1Rh 1dx2y2 0.002400 -0.029234 -0.010980 0.013863 -0.043160 -0.002004 1Rh 1dxy 0.039179 -0.014849 -0.019778 -0.021332 0.019754 0.002488 1Rh 2dz2 -0.004040 -0.002527 0.003968 -0.000282 -0.003506 -0.003376 1Rh 2dxz -0.002115 -0.002577 0.000738 0.000316 -0.003928 0.003718 1Rh 2dyz -0.010541 -0.001029 0.011857 -0.002270 -0.001291 -0.002793 1Rh 2dx2y2 0.000093 0.004294 0.001789 -0.002216 0.006614 0.000520 1Rh 2dxy -0.009166 0.001700 0.004876 0.004060 -0.001967 -0.000055 1Rh 3dz2 -0.034367 -0.026075 0.004779 -0.005944 -0.023473 -0.031100 1Rh 3dxz 0.000104 -0.035961 0.024499 -0.000298 -0.029443 0.034364 1Rh 3dyz -0.083685 -0.010992 0.057320 -0.016001 0.000489 -0.029984 1Rh 3dx2y2 -0.005797 0.045602 0.016509 -0.021117 0.067369 0.002265 1Rh 3dxy -0.047012 0.025338 0.022686 0.030307 -0.035617 -0.005238 1Rh 4dz2 -0.077962 -0.053415 0.070734 -0.006114 -0.065307 -0.065347 1Rh 4dxz -0.035217 -0.058306 0.021813 0.006421 -0.073714 0.072602 1Rh 4dyz -0.200841 -0.022067 0.227393 -0.041331 -0.022167 -0.055180 1Rh 4dx2y2 0.001396 0.090617 0.038292 -0.047333 0.133973 0.009153 1Rh 4dxy -0.162915 0.038609 0.092258 0.072114 -0.046536 -0.002911 1Rh 5dz2 0.210933 0.173877 -0.389739 -0.000796 0.213151 0.187032 1Rh 5dxz 0.164625 0.175856 -0.023839 -0.047529 0.220115 -0.233520 1Rh 5dyz 0.567607 0.078005 -1.071805 0.126927 0.123873 0.123011 1Rh 5dx2y2 -0.041716 -0.283891 -0.163336 0.190552 -0.388934 -0.035418 1Rh 5dxy 0.522319 -0.100991 -0.425328 -0.174035 0.116937 -0.011099 1Rh 1f0 0.008164 -0.018493 0.007858 -0.020607 0.016199 0.029028 1Rh 1f+1 -0.001524 0.007598 -0.004728 -0.015795 0.008832 -0.011298 1Rh 1f-1 0.017511 -0.001450 -0.014199 -0.034982 0.019085 -0.063651 1Rh 1f+2 -0.003244 0.013212 0.019346 -0.049559 0.032290 0.060613 1Rh 1f-2 -0.009718 0.003156 -0.003084 -0.038914 0.021671 -0.014153 1Rh 1f+3 0.003325 0.021967 -0.008936 -0.006258 -0.000058 -0.037442 1Rh 1f-3 0.003001 0.009580 0.003182 -0.010322 0.005077 0.010189 2C 1s -0.000696 -0.004679 -0.004830 -0.002847 0.001037 0.000768 2C 2s -0.002460 -0.016662 -0.022552 -0.005489 0.005341 0.007153 2C 3s -0.009567 0.268068 0.416652 -0.005873 -0.083595 -0.156430 2C 4s 0.321872 -1.133112 -1.939572 0.275830 0.363427 0.795234 2C 5s 2.807471 -0.216150 -3.206159 1.355882 -0.263343 -0.177878 2C 1pz -0.029336 0.013260 -0.057704 0.032768 0.011601 0.034617 2C 1px -0.015663 0.091342 -0.006034 -0.013558 0.067366 -0.016363 2C 1py 0.057829 -0.005239 -0.062361 0.006853 0.012641 0.041771 2C 2pz 0.147114 -0.523966 -0.681817 0.150892 0.094902 0.303305 2C 2px -0.211707 0.011609 -0.081237 0.066193 -0.055260 0.096178 2C 2py -0.002167 -0.376257 -0.390437 0.187662 0.118985 0.150477 2C 3pz 0.528840 -0.297257 -1.218815 0.496387 -0.041600 0.152025 2C 3px 0.302496 0.468147 -0.219106 0.102551 0.154620 -0.087136 2C 3py 0.312918 -0.298983 -0.730442 0.013242 0.114885 0.327639 2C 1dz2 0.009081 -0.002226 0.008446 -0.002954 -0.000694 -0.010916 2C 1dxz 0.008782 -0.008616 0.005468 -0.000481 -0.007770 -0.003954 2C 1dyz -0.009321 0.001937 0.014082 -0.007264 -0.007446 -0.010069 2C 1dx2y2 -0.000412 0.006047 -0.003241 0.004448 0.001666 0.005786 2C 1dxy 0.000326 -0.000051 0.004610 -0.001473 -0.003525 0.000935 2C 2dz2 -0.180292 -0.174623 -0.173691 0.138008 -0.005626 0.069211 2C 2dxz 0.334882 -0.260224 -0.173535 0.077163 0.155832 0.035398 2C 2dyz -0.247345 -0.088509 -0.221794 0.042579 0.072911 0.200041 2C 2dx2y2 -0.241573 0.311004 0.194031 0.040940 -0.004280 -0.099389 2C 2dxy 0.132842 0.078363 -0.085207 -0.026307 0.046002 0.050892 2C 1f0 -0.016029 0.003125 0.005926 -0.004188 0.000541 -0.002078 2C 1f+1 -0.006085 0.011898 -0.000117 -0.005838 -0.000324 0.000189 2C 1f-1 0.012101 -0.023402 -0.005681 -0.005567 -0.007331 -0.009357 2C 1f+2 0.011638 -0.007454 0.000065 0.005029 0.002813 0.005420 2C 1f-2 0.016278 -0.011921 -0.010984 0.000971 0.007838 -0.002599 2C 1f+3 -0.002345 -0.008855 0.006915 0.004091 0.003369 -0.003902 2C 1f-3 -0.020613 0.017945 0.007931 0.003171 -0.002589 -0.005965 3C 1s -0.000572 -0.004760 0.003139 0.001848 -0.000217 -0.000125 3C 2s 0.000441 -0.017247 0.016521 0.000539 -0.000077 0.002959 3C 3s -0.055682 0.288884 -0.333285 0.115865 0.005809 -0.044123 3C 4s 0.216455 -1.273837 1.598065 -0.821688 -0.034415 0.234523 3C 5s -1.182756 -0.747356 3.385346 -0.790916 -0.307768 1.131442 3C 1pz 0.048486 -0.072007 0.062753 -0.036302 -0.001978 -0.019247 3C 1px -0.015007 0.057406 -0.004800 -0.028123 -0.038836 -0.016407 3C 1py -0.007074 -0.044856 -0.060813 0.040105 -0.011971 -0.010284 3C 2pz -0.017643 -0.412340 0.257552 -0.206684 0.008880 0.225301 3C 2px 0.202147 -0.148755 0.228692 -0.057572 0.113598 0.090827 3C 2py -0.146334 0.548546 -0.533498 0.364172 0.006961 -0.158635 3C 3pz -0.233479 -0.632422 0.541745 -0.365605 -0.098530 0.027209 3C 3px -0.233826 0.142497 0.425535 -0.187443 0.055476 -0.035969 3C 3py -0.074681 0.273766 -1.203650 0.311553 0.117698 -0.413411 3C 1dz2 -0.017374 -0.000042 0.001542 -0.004625 -0.001274 0.002935 3C 1dxz -0.011099 -0.004234 -0.005076 0.002526 -0.000947 -0.003288 3C 1dyz 0.008078 -0.006080 0.011430 -0.008431 0.002623 0.003532 3C 1dx2y2 -0.005889 0.006396 0.010793 -0.009738 0.006341 0.003899 3C 1dxy 0.002632 0.004913 0.005129 -0.007566 -0.001761 0.004028 3C 2dz2 0.040655 -0.119953 -0.024810 0.029374 0.024233 -0.079471 3C 2dxz -0.111199 -0.240866 0.056550 -0.137888 -0.168263 -0.031576 3C 2dyz -0.443233 0.002707 -0.218870 0.095144 -0.116282 0.044919 3C 2dx2y2 0.015459 0.342529 -0.176261 0.114989 -0.071856 -0.222438 3C 2dxy 0.135687 0.169461 -0.067545 0.141166 0.060993 -0.099278 3C 1f0 0.008909 0.025379 0.006229 -0.002973 0.002755 -0.004145 3C 1f+1 0.012995 0.017028 0.001732 0.006491 0.008113 0.001763 3C 1f-1 -0.009023 -0.004076 0.001664 -0.001109 -0.000964 -0.003208 3C 1f+2 0.002502 0.015632 -0.008203 0.001289 0.002748 0.008863 3C 1f-2 -0.003919 -0.000648 -0.003613 -0.005518 0.001100 0.010738 3C 1f+3 0.000874 -0.000276 0.000080 0.003869 -0.010639 -0.011796 3C 1f-3 -0.019852 -0.012634 0.000016 -0.004551 -0.011019 0.007999 4C 1s -0.017472 0.018308 -0.018358 0.000784 0.009119 0.009697 4C 2s -0.048320 0.052448 -0.055781 0.004185 0.028268 0.031362 4C 3s 0.218195 -0.369405 0.642155 -0.108582 -0.324306 -0.483473 4C 4s 0.151883 1.428170 -1.782966 0.549276 1.116175 1.619123 4C 5s 0.232559 -0.048030 0.346836 0.432464 0.056640 1.727103 4C 1pz 0.024547 -0.096726 -0.081476 -0.006429 0.014025 0.162114 4C 1px 0.089158 0.005012 -0.047272 -0.027209 0.077638 0.041400 4C 1py 0.068781 -0.061285 -0.079677 0.173805 0.013203 -0.034980 4C 2pz 0.090468 -0.399072 -0.937072 0.214245 0.263978 0.394445 4C 2px -0.081397 -0.091341 -0.347511 0.231712 0.184439 0.385315 4C 2py -0.094406 -0.267620 -0.673387 0.051985 0.251411 0.517753 4C 3pz 3.042793 -0.591887 -4.294585 1.203563 0.197634 1.475719 4C 3px 0.023733 -0.492565 -1.275663 0.232494 0.272965 0.446796 4C 3py 2.189931 -0.371517 -3.064168 1.604737 0.138854 0.473106 4C 1dz2 -0.008491 -0.006838 0.011301 -0.006837 -0.001125 -0.009311 4C 1dxz 0.000320 -0.008236 0.002008 -0.004467 -0.011538 -0.007682 4C 1dyz 0.005180 -0.006399 0.008461 -0.004498 -0.010924 -0.003945 4C 1dx2y2 -0.008213 0.004944 -0.013928 0.004312 0.001031 0.015119 4C 1dxy 0.000057 -0.004467 0.001868 -0.001223 0.009014 0.005429 4C 2dz2 -0.309276 0.277750 0.510143 -0.130275 -0.149759 -0.349769 4C 2dxz -0.045186 0.499970 0.271975 -0.075872 0.055119 -0.224799 4C 2dyz 0.155396 0.121798 0.340945 -0.125798 -0.182602 -0.137811 4C 2dx2y2 0.299348 -0.570918 -0.617422 0.213078 -0.007359 0.421765 4C 2dxy 0.297784 -0.201286 -0.091828 0.052774 0.313840 0.178548 4C 1f0 0.000894 -0.001929 0.014338 -0.002563 -0.001714 -0.013071 4C 1f+1 -0.004342 0.007413 0.038227 -0.020094 -0.018641 -0.038304 4C 1f-1 -0.006937 -0.011662 -0.021952 0.000182 0.002225 0.002429 4C 1f+2 0.011314 0.002532 -0.017845 0.001156 0.005783 0.023624 4C 1f-2 -0.008732 -0.000775 -0.007116 -0.000249 0.003553 0.004310 4C 1f+3 0.000095 -0.001066 -0.002663 -0.009642 0.001269 0.000682 4C 1f-3 0.003694 0.005053 0.039031 -0.013371 -0.016337 -0.045164 5C 1s 0.011834 0.018274 0.020215 -0.003551 0.005346 0.005225 5C 2s 0.032556 0.052121 0.060796 -0.013007 0.016622 0.018088 5C 3s -0.127138 -0.329036 -0.645863 0.251064 -0.207295 -0.346722 5C 4s -0.154880 1.232241 1.838572 -0.976751 0.818020 1.277902 5C 5s -0.650975 -0.188135 -0.474636 -1.332819 0.018340 0.836728 5C 1pz 0.028978 -0.088094 0.063504 -0.005269 0.033313 0.184676 5C 1px -0.073804 -0.031607 0.017533 -0.033216 -0.036630 0.054528 5C 1py -0.004024 0.083898 -0.064597 0.160539 0.005305 0.053057 5C 2pz -0.073628 -0.284498 0.530633 -0.392737 0.223400 0.164849 5C 2px 0.115345 -0.062794 0.130167 -0.027757 -0.352190 -0.058517 5C 2py -0.279614 0.521117 -0.869990 0.426884 -0.250858 -0.470005 5C 3pz -0.498901 -0.594842 2.681097 -0.903924 0.014523 1.267445 5C 3px -0.022141 -0.555583 1.394100 -0.586953 -0.731117 0.794665 5C 3py 1.610549 1.323259 -4.250383 2.186912 0.287980 -0.943873 5C 1dz2 0.017683 0.002162 0.000833 0.005317 -0.004622 -0.007414 5C 1dxz 0.006501 -0.004325 -0.013865 0.008651 0.000863 -0.009380 5C 1dyz -0.008945 0.004286 0.008917 -0.006992 0.001256 0.000967 5C 1dx2y2 0.016227 0.008184 0.012251 -0.009374 0.004747 0.006396 5C 1dxy 0.004123 0.008440 0.003741 -0.003543 0.007217 0.005576 5C 2dz2 0.453365 0.268150 -0.013641 0.137274 0.024171 -0.221190 5C 2dxz 0.102806 0.497700 -0.453349 0.304812 -0.042659 -0.308883 5C 2dyz 0.003646 0.096248 0.187064 -0.104031 -0.074385 -0.000604 5C 2dx2y2 -0.035031 -0.671556 0.433009 -0.410117 -0.118824 0.239703 5C 2dxy 0.238700 -0.367867 0.311831 -0.195828 0.341245 0.215520 5C 1f0 -0.003268 0.013245 -0.031449 0.023436 -0.014210 -0.015686 5C 1f+1 -0.005443 0.005699 -0.022856 0.016198 0.002931 -0.013554 5C 1f-1 0.009548 0.003934 -0.002883 0.000020 -0.000817 -0.004565 5C 1f+2 -0.008324 0.008439 -0.011235 -0.004930 0.007855 -0.004412 5C 1f-2 -0.006440 -0.004822 0.018062 -0.019385 0.012824 0.019809 5C 1f+3 0.005682 0.002345 -0.012565 0.009281 0.000837 -0.021774 5C 1f-3 -0.002800 -0.005569 0.030756 -0.029137 0.012128 0.030939 6C 1s -0.012773 0.017130 0.020279 0.002249 0.004868 -0.005217 6C 2s -0.035233 0.048953 0.061197 0.009069 0.015047 -0.018052 6C 3s 0.145339 -0.314547 -0.660581 -0.210952 -0.181388 0.348986 6C 4s 0.084858 1.243963 1.910050 0.854736 0.737407 -1.295035 6C 5s 0.644597 -0.140434 -0.366445 1.354536 -0.002897 -0.854477 6C 1pz 0.024348 0.085857 -0.065964 -0.000988 -0.017003 0.185450 6C 1px -0.075006 0.025972 -0.020806 -0.032549 0.040892 0.049341 6C 1py 0.000706 -0.082114 0.078814 0.156936 0.004112 0.054723 6C 2pz -0.090237 0.281286 -0.564810 -0.353535 -0.219794 0.176918 6C 2px 0.116762 0.062411 -0.135395 -0.050191 0.362211 -0.103792 6C 2py -0.251208 -0.524063 0.910180 0.373385 0.217265 -0.475346 6C 3pz -0.516920 0.489551 -2.771663 -0.749371 0.068751 1.205737 6C 3px -0.034494 0.519040 -1.460104 -0.546771 0.763492 0.690442 6C 3py 1.654051 -1.123787 4.452030 1.958446 -0.295745 -0.822691 6C 1dz2 -0.017761 0.001550 0.000383 -0.005570 -0.004105 0.007633 6C 1dxz -0.006277 -0.004518 -0.014550 -0.007327 0.001315 0.009095 6C 1dyz 0.008746 0.004679 0.009586 0.006317 0.001279 -0.000657 6C 1dx2y2 -0.016613 0.007584 0.013013 0.008570 0.004511 -0.006344 6C 1dxy -0.004570 0.008259 0.004073 0.003339 0.007032 -0.005854 6C 2dz2 -0.464606 0.243040 -0.026352 -0.145215 0.043573 0.213458 6C 2dxz -0.127559 0.487084 -0.481670 -0.271912 -0.025053 0.311691 6C 2dyz -0.008189 0.094103 0.198801 0.095421 -0.076419 0.016807 6C 2dx2y2 0.066940 -0.649827 0.470391 0.398564 -0.134544 -0.216171 6C 2dxy -0.216781 -0.375820 0.333175 0.172436 0.331978 -0.244165 6C 1f0 -0.002490 -0.013540 0.033296 0.021186 0.013434 -0.016450 6C 1f+1 -0.005315 -0.005852 0.024138 0.015469 -0.003974 -0.012655 6C 1f-1 0.009765 -0.003605 0.002926 -0.000348 0.000456 -0.004606 6C 1f+2 -0.007915 -0.008922 0.010998 -0.005151 -0.008728 -0.003288 6C 1f-2 -0.006710 0.004399 -0.019558 -0.017795 -0.011953 0.020922 6C 1f+3 0.005612 -0.001849 0.013398 0.009309 -0.002664 -0.021153 6C 1f-3 -0.002905 0.005340 -0.033007 -0.027260 -0.010127 0.031441 7C 1s 0.016585 0.018861 -0.018292 0.000039 0.008139 -0.010700 7C 2s 0.045781 0.053976 -0.055701 -0.001638 0.025077 -0.034469 7C 3s -0.201734 -0.374504 0.644487 0.078874 -0.277132 0.516746 7C 4s -0.218161 1.417883 -1.808241 -0.474073 0.960318 -1.729265 7C 5s -0.215893 -0.054132 0.321487 -0.452833 -0.113596 -1.709809 7C 1pz 0.019197 0.094474 0.081221 -0.010600 0.000019 0.162996 7C 1px 0.088362 -0.000870 0.044698 -0.028549 -0.073930 0.049104 7C 1py 0.063867 0.063936 0.092983 0.169161 -0.009938 -0.032661 7C 2pz 0.057226 0.396135 0.951611 0.180969 -0.212841 0.418165 7C 2px -0.088041 0.090387 0.358376 0.197919 -0.161297 0.388963 7C 2py -0.114845 0.253404 0.676657 0.021486 -0.205831 0.536945 7C 3pz 2.983558 0.678235 4.369032 0.968976 -0.039115 1.583211 7C 3px -0.010472 0.471189 1.282827 0.142710 -0.222828 0.474005 7C 3py 2.156503 0.467952 3.194859 1.429667 -0.045978 0.548145 7C 1dz2 0.008892 -0.005690 0.012053 0.006027 -0.000246 0.009435 7C 1dxz -0.000058 -0.007918 0.002458 0.004885 -0.010616 0.008865 7C 1dyz -0.004859 -0.007192 0.008683 0.004341 -0.010302 0.005301 7C 1dx2y2 0.007924 0.005967 -0.013927 -0.003283 -0.000445 -0.015160 7C 1dxy 0.000224 -0.004593 0.001951 0.000579 0.008727 -0.006349 7C 2dz2 0.288924 0.295291 0.518579 0.101496 -0.117280 0.361135 7C 2dxz 0.016733 0.496080 0.279906 0.072610 0.081399 0.221113 7C 2dyz -0.166241 0.104500 0.351481 0.116981 -0.163565 0.155529 7C 2dx2y2 -0.263477 -0.573255 -0.628860 -0.175765 -0.051976 -0.419115 7C 2dxy -0.283103 -0.215581 -0.092850 -0.053897 0.300730 -0.207123 7C 1f0 0.000991 0.002157 -0.014492 -0.001946 0.000409 -0.013294 7C 1f+1 -0.003595 -0.007531 -0.039321 -0.018325 0.014545 -0.039924 7C 1f-1 -0.007733 0.011252 0.021998 -0.000834 -0.001676 0.002831 7C 1f+2 0.011336 -0.001863 0.017688 0.000767 -0.003340 0.024128 7C 1f-2 -0.008919 0.000362 0.006980 -0.000642 -0.003255 0.004471 7C 1f+3 -0.000127 0.000909 0.002120 -0.009168 -0.001194 0.001220 7C 1f-3 0.004157 -0.004906 -0.039669 -0.011155 0.012318 -0.046390 8C 1s 0.000787 -0.004826 0.002903 -0.001962 -0.000387 0.000201 8C 2s 0.000369 -0.017490 0.016276 -0.001295 -0.000789 -0.002587 8C 3s 0.041133 0.289435 -0.343539 -0.099025 0.011045 0.036650 8C 4s -0.151669 -1.258324 1.677048 0.739438 -0.045422 -0.199890 8C 5s 1.202292 -0.578848 3.479069 0.613213 -0.363940 -1.014375 8C 1pz 0.044983 0.069916 -0.065792 -0.032652 -0.001030 -0.019925 8C 1px -0.011041 -0.059438 0.003151 -0.028677 0.036168 -0.021813 8C 1py -0.008933 0.043205 0.065339 0.036248 0.012694 -0.010069 8C 2pz -0.039619 0.405652 -0.279668 -0.195770 0.007993 0.218956 8C 2px 0.194143 0.152920 -0.238180 -0.044613 -0.104816 0.096926 8C 2py -0.116827 -0.545922 0.569214 0.336031 -0.016110 -0.147334 8C 3pz -0.263114 0.603214 -0.574474 -0.342291 0.086536 0.007990 8C 3px -0.223321 -0.172487 -0.444021 -0.163558 -0.059930 -0.047479 8C 3py -0.062838 -0.258301 1.236785 0.247083 -0.142839 -0.376953 8C 1dz2 0.017409 0.000511 0.001963 0.004482 -0.001475 -0.002697 8C 1dxz 0.011289 -0.003852 -0.005302 -0.002158 -0.000823 0.003209 8C 1dyz -0.007715 -0.006035 0.012203 0.007754 0.002489 -0.003486 8C 1dx2y2 0.005601 0.006466 0.011636 0.008846 0.006198 -0.004255 8C 1dxy -0.002980 0.004817 0.005809 0.007283 -0.001738 -0.003471 8C 2dz2 -0.032198 -0.118881 -0.028000 -0.025902 0.030075 0.075017 8C 2dxz 0.120946 -0.232028 0.066692 0.138687 -0.163568 0.049241 8C 2dyz 0.441463 0.024638 -0.228590 -0.079037 -0.123217 -0.035701 8C 2dx2y2 -0.034242 0.340296 -0.189572 -0.105076 -0.052281 0.224771 8C 2dxy -0.146547 0.161982 -0.080046 -0.142445 0.070181 0.089432 8C 1f0 0.010383 -0.024657 -0.006276 -0.002125 -0.003428 -0.003976 8C 1f+1 0.013794 -0.016143 -0.001085 0.006878 -0.007884 0.002704 8C 1f-1 -0.009240 0.003481 -0.001737 -0.001262 0.000753 -0.003285 8C 1f+2 0.003221 -0.015058 0.008415 0.000814 -0.001872 0.008951 8C 1f-2 -0.003813 0.000597 0.003389 -0.005566 -0.000390 0.010955 8C 1f+3 0.001100 0.000244 0.000268 0.003807 0.009733 -0.012683 8C 1f-3 -0.020392 0.011450 -0.000316 -0.004922 0.011829 0.006828 9C 1s 0.000918 -0.004758 -0.004558 0.003139 0.001102 -0.000849 9C 2s 0.003334 -0.016806 -0.021960 0.006771 0.004970 -0.007651 9C 3s -0.006914 0.267349 0.416242 -0.014137 -0.069603 0.164165 9C 4s -0.245407 -1.130356 -1.960137 -0.189759 0.281067 -0.828431 9C 5s -2.787426 -0.308446 -3.304931 -1.154425 -0.278048 0.094428 9C 1pz -0.026988 -0.014978 0.060656 0.031176 -0.007124 0.036203 9C 1px -0.011787 -0.092179 0.004472 -0.013320 -0.068411 -0.009871 9C 1py 0.054499 0.006208 0.062794 0.003683 -0.009657 0.042599 9C 2pz 0.111046 0.523180 0.693436 0.117520 -0.059478 0.310968 9C 2px -0.210718 -0.026500 0.087208 0.063072 0.066536 0.090255 9C 2py -0.029010 0.365247 0.405539 0.174084 -0.096952 0.161816 9C 3pz 0.509380 0.323071 1.252149 0.424437 0.072403 0.170562 9C 3px 0.323034 -0.453938 0.228898 0.096095 -0.155216 -0.064793 9C 3py 0.293448 0.286820 0.734964 -0.019918 -0.092028 0.351047 9C 1dz2 -0.008869 -0.003173 0.008475 0.002500 0.000389 0.010887 9C 1dxz -0.008440 -0.009313 0.005408 0.000257 -0.007135 0.004757 9C 1dyz 0.008964 0.002491 0.014729 0.006709 -0.006315 0.010880 9C 1dx2y2 0.000254 0.005835 -0.003708 -0.004428 0.001106 -0.005946 9C 1dxy -0.000329 -0.000267 0.004684 0.001159 -0.003479 -0.000627 9C 2dz2 0.192055 -0.157466 -0.181800 -0.129798 -0.019740 -0.065395 9C 2dxz -0.319459 -0.274074 -0.174860 -0.066843 0.149919 -0.047796 9C 2dyz 0.255665 -0.075060 -0.227959 -0.038028 0.052353 -0.205022 9C 2dx2y2 0.224138 0.324802 0.192621 -0.054206 0.003145 0.101313 9C 2dxy -0.131646 0.067677 -0.082597 0.032332 0.041398 -0.055585 9C 1f0 -0.015888 -0.004652 -0.006216 -0.003209 -0.000988 -0.001997 9C 1f+1 -0.005842 -0.012144 -0.000281 -0.005888 0.000133 0.000182 9C 1f-1 0.010611 0.023734 0.005252 -0.005903 0.006361 -0.010139 9C 1f+2 0.010802 0.007719 -0.000190 0.004707 -0.002093 0.005747 9C 1f-2 0.015615 0.012565 0.010939 0.000780 -0.008208 -0.002062 9C 1f+3 -0.002403 0.008712 -0.006454 0.004335 -0.003784 -0.003442 9C 1f-3 -0.019988 -0.018732 -0.007883 0.003873 0.002364 -0.006417 10H 1s -0.029172 0.063865 0.020507 -0.004464 0.012832 -0.000345 10H 2s 0.560949 -0.422266 -0.170844 0.036838 0.100156 0.069456 10H 3s -0.400642 -0.285617 -0.072111 -0.027345 -0.061072 0.266126 10H 1pz 0.055042 -0.040789 -0.014425 0.010167 0.012470 -0.017795 10H 1px -0.007404 -0.009058 -0.010773 -0.000908 -0.012433 -0.003127 10H 1py 0.027140 -0.006045 -0.002818 -0.013733 0.004020 -0.000053 11H 1s 0.044093 -0.030152 -0.003053 0.003564 -0.001790 -0.008343 11H 2s -0.305631 0.341417 0.038844 -0.059236 -0.062757 0.107579 11H 3s 0.022187 0.016156 -0.242986 0.060624 0.102181 0.089545 11H 1pz -0.040288 0.043374 0.040843 -0.010332 -0.014549 0.002995 11H 1px 0.012536 -0.011745 -0.003022 0.023192 -0.014885 -0.008578 11H 1py -0.010620 -0.003996 0.010423 0.011260 0.007440 -0.015296 12H 1s 0.017190 0.002537 0.002099 -0.009317 -0.008997 0.003259 12H 2s -0.370793 0.094454 0.103100 0.157358 0.057623 0.006411 12H 3s -0.030864 -0.084910 -0.160142 -0.135802 0.204607 0.232661 12H 1pz -0.013533 -0.004458 0.008168 -0.009548 -0.004896 -0.000676 12H 1px 0.016332 -0.040795 0.000138 -0.009224 -0.006585 0.014087 12H 1py -0.065022 0.020992 0.038257 0.025371 -0.002280 -0.018061 13H 1s 0.010277 0.061433 -0.012213 0.003888 0.004702 -0.014886 13H 2s -0.399586 -0.379072 -0.056803 -0.198446 -0.198254 0.152781 13H 3s 0.255961 -0.263120 0.063280 -0.104141 0.020177 -0.020578 13H 1pz -0.026523 0.002381 -0.012395 -0.012266 -0.004608 0.003965 13H 1px 0.014489 -0.003208 0.021909 0.002800 0.016498 -0.018274 13H 1py 0.048955 0.046911 0.002686 0.006646 0.012225 -0.027113 14H 1s -0.014546 0.014750 -0.000998 -0.007438 -0.001956 -0.019006 14H 2s 0.115368 0.017234 0.005101 0.016729 0.200358 0.198506 14H 3s -0.018898 -0.088477 0.022564 -0.168838 -0.034189 -0.145472 14H 1pz 0.020734 0.042411 -0.018557 0.027149 0.015758 0.034469 14H 1px -0.009622 -0.024124 -0.006885 -0.000741 0.022414 0.016643 14H 1py 0.009710 0.021671 0.005610 -0.002967 0.002050 0.005962 15H 1s -0.016931 -0.041810 -0.001118 -0.000247 -0.005214 -0.004609 15H 2s 0.378234 0.389300 0.039190 -0.006354 0.050211 -0.175654 15H 3s 0.119386 0.039281 0.193852 -0.083099 -0.036844 0.026903 15H 1pz -0.001616 0.014792 -0.017817 0.011540 0.006758 0.004451 15H 1px 0.011040 -0.006310 -0.004936 0.012183 -0.007447 0.025999 15H 1py -0.056000 -0.043374 0.023711 -0.015268 -0.013936 0.010375 16H 1s 0.007748 0.025358 0.035995 -0.015479 0.007115 -0.016362 16H 2s 0.160504 0.014326 0.027181 -0.486013 -0.736193 -0.149042 16H 3s -0.010923 -0.012367 0.089948 -0.119277 -0.094080 -0.023289 16H 1pz 0.006450 0.001634 -0.047404 -0.071072 -0.095901 0.049285 16H 1px 0.057514 0.032149 0.124113 -0.099967 -0.138950 -0.199797 16H 1py -0.022824 -0.041634 0.058913 0.163846 0.160693 -0.118205 17H 1s -0.007386 0.033899 -0.024641 -0.016756 0.002814 0.002674 17H 2s 0.089079 0.007674 -0.052540 -0.525164 -0.765024 0.071091 17H 3s 0.021778 -0.015708 -0.084065 -0.108318 -0.077094 -0.018457 17H 1pz -0.028607 -0.041345 0.047202 0.151663 0.194719 -0.036735 17H 1px -0.009594 0.059359 -0.110322 -0.067785 -0.094345 0.160448 17H 1py -0.034369 -0.018714 -0.042434 0.100098 0.083349 0.148184 18H 1s 0.005126 0.034267 -0.021988 0.018499 0.003550 -0.001681 18H 2s -0.095072 0.000249 -0.020314 0.551488 -0.753020 -0.025035 18H 3s -0.021208 -0.015299 -0.071731 0.113954 -0.071441 0.022537 18H 1pz -0.030655 0.038816 -0.039846 0.158201 -0.188596 -0.027484 18H 1px -0.004698 -0.059127 0.102806 -0.082694 0.102477 0.148182 18H 1py -0.035706 0.017780 0.046157 0.099412 -0.073494 0.149658 19H 1s -0.009025 0.024776 0.037920 0.011590 0.009220 0.016972 19H 2s -0.167854 0.003994 0.054822 0.508039 -0.711916 0.188264 19H 3s 0.010406 -0.014871 0.100024 0.114723 -0.086473 0.033588 19H 1pz 0.007761 -0.001624 0.044844 -0.084249 0.102202 0.044953 19H 1px 0.059858 -0.029880 -0.127965 -0.092030 0.123689 -0.205754 19H 1py -0.024683 0.038426 -0.048548 0.173003 -0.159916 -0.105456 20H 1s 0.018914 -0.038994 -0.000874 0.000839 -0.004659 0.004767 20H 2s -0.398572 0.363723 0.038180 -0.001533 0.068085 0.168642 20H 3s -0.119155 0.029624 0.199830 0.072290 -0.041287 -0.020365 20H 1pz -0.001111 -0.013696 0.018762 0.010581 -0.005692 0.005293 20H 1px 0.010604 0.007178 0.005307 0.011361 0.009728 0.025716 20H 1py -0.058154 0.040042 -0.025400 -0.014927 0.014497 0.008833 21H 1s 0.014105 0.014799 -0.000371 0.007170 -0.000011 0.018755 21H 2s -0.114922 0.015569 0.007021 -0.018856 0.182076 -0.215466 21H 3s 0.023025 -0.088911 0.035142 0.172258 -0.020095 0.150737 21H 1pz 0.022563 -0.040220 0.020541 0.026285 -0.012362 0.036215 21H 1px -0.011363 0.023705 0.006406 -0.001297 -0.020528 0.018503 21H 1py 0.010518 -0.020550 -0.006263 -0.002629 -0.002021 0.006198 22H 1s -0.013726 0.060735 -0.012602 -0.003660 0.006421 0.014466 22H 2s 0.419129 -0.359529 -0.041885 0.208238 -0.209532 -0.133174 22H 3s -0.241439 -0.283038 0.069717 0.098672 0.025396 0.011616 22H 1pz -0.026207 -0.002689 0.011499 -0.012787 0.004983 0.002899 22H 1px 0.014067 0.004002 -0.021919 0.004514 -0.017732 -0.016690 22H 1py 0.051319 -0.043798 -0.001895 0.007439 -0.014667 -0.025894 23H 1s -0.018330 0.000523 0.002338 0.009204 -0.008910 -0.002134 23H 2s 0.369182 0.129998 0.093885 -0.169154 0.051052 -0.007532 23H 3s 0.038810 -0.081206 -0.152895 0.135507 0.187752 -0.246116 23H 1pz -0.014553 0.002377 -0.009900 -0.009905 0.004168 -0.001301 23H 1px 0.014617 0.040429 -0.000501 -0.009509 0.006963 0.014096 23H 1py -0.063359 -0.025321 -0.036841 0.027246 0.001797 -0.018280 24H 1s -0.041694 -0.031155 -0.003004 -0.003959 -0.000762 0.008714 24H 2s 0.285937 0.344808 0.037407 0.056980 -0.074285 -0.102520 24H 3s -0.020954 0.010820 -0.246069 -0.049162 0.088316 -0.094964 24H 1pz -0.038327 -0.043608 -0.040892 -0.009128 0.014235 0.001971 24H 1px 0.012250 0.013202 0.005031 0.022327 0.015893 -0.010038 24H 1py -0.009687 0.004807 -0.009026 0.012302 -0.008009 -0.015045 25H 1s 0.025888 0.065607 0.020712 0.002634 0.012801 -0.000568 25H 2s -0.536257 -0.453437 -0.170031 -0.021862 0.092853 -0.078056 25H 3s 0.415324 -0.267254 -0.067953 0.027500 -0.082998 -0.251794 25H 1pz 0.052399 0.042475 0.014682 0.009138 -0.013157 -0.016503 25H 1px -0.007679 0.008338 0.011078 -0.000475 0.012237 -0.004636 25H 1py 0.027375 0.009035 0.002590 -0.014008 -0.004149 0.001196 26O 1s -0.006118 -0.002705 0.000058 -0.000072 0.005317 0.002368 26O 2s -0.013460 -0.004325 0.000708 0.000324 0.012371 0.003724 26O 3s -0.001218 -0.045991 -0.026639 0.000163 0.006136 0.061020 26O 4s 0.204773 0.456748 -0.041841 0.004921 -0.257291 -0.453889 26O 5s -1.607152 -0.171171 3.326560 -0.899418 -0.397911 -0.841102 26O 1pz 0.046821 -0.040648 0.024007 -0.012623 -0.031466 0.012848 26O 1px 0.054747 -0.031140 -0.025575 0.003973 0.024079 0.013716 26O 1py 0.046387 -0.036757 -0.003131 0.021692 -0.035711 -0.009597 26O 2pz 0.195395 -0.112406 -0.105673 0.043792 -0.026957 0.133707 26O 2px 0.188794 -0.155994 -0.318867 0.073604 0.135494 0.271303 26O 2py 0.185453 -0.129867 -0.181376 0.137898 0.031210 0.116772 26O 3pz -0.723805 -0.202028 0.716530 0.169689 0.244873 0.160568 26O 3px 0.304414 0.313863 -0.926014 0.592799 0.638897 0.822584 26O 3py -0.362020 0.089995 -0.145208 -0.151449 -0.009226 0.815801 26O 1dz2 -0.006438 0.000296 -0.000494 -0.002205 -0.000959 -0.004995 26O 1dxz -0.002690 -0.005799 -0.004293 0.003278 0.002117 0.003397 26O 1dyz -0.005236 -0.002286 -0.007050 -0.000052 0.001497 -0.002250 26O 1dx2y2 0.005293 0.001145 0.000732 0.000007 0.004287 0.002525 26O 1dxy 0.000589 -0.002201 -0.008148 0.003253 -0.001028 0.003933 26O 2dz2 0.001724 0.021996 -0.101726 0.015672 0.019707 0.162955 26O 2dxz 0.014960 -0.004397 0.031835 -0.056135 -0.034600 0.000409 26O 2dyz 0.016151 0.002329 -0.035732 0.085318 0.049990 0.055862 26O 2dx2y2 0.027065 -0.009990 0.055690 -0.042530 -0.031486 -0.048511 26O 2dxy 0.019610 -0.008157 0.048570 -0.013224 -0.057971 -0.060468 26O 1f0 0.001247 0.002582 0.001809 0.001772 0.001641 -0.001366 26O 1f+1 0.006186 -0.001797 0.004513 -0.001577 -0.002739 -0.003602 26O 1f-1 0.003660 0.000595 0.004317 0.001544 -0.000932 0.003462 26O 1f+2 -0.003701 -0.003266 -0.001697 -0.002238 -0.002002 0.000199 26O 1f-2 0.001870 -0.001333 -0.001344 0.000878 -0.000357 0.003213 26O 1f+3 0.002628 -0.003635 0.003021 0.003098 -0.002265 -0.004209 26O 1f-3 0.003692 -0.002170 0.007539 -0.002847 -0.001755 -0.005918 27O 1s 0.002735 -0.000271 -0.007480 -0.002533 -0.006425 0.004926 27O 2s 0.006925 0.001080 -0.016870 -0.006373 -0.014399 0.012567 27O 3s -0.021311 -0.043201 -0.000732 -0.002430 -0.015002 -0.010865 27O 4s 0.077002 0.314948 0.582242 0.165754 0.477193 -0.176876 27O 5s 0.362787 0.426512 -3.772179 0.783925 -0.749062 -0.692297 27O 1pz -0.030187 -0.031141 0.009294 -0.002779 0.009462 0.008560 27O 1px -0.049390 -0.050978 0.009867 0.020575 -0.020394 -0.021275 27O 1py 0.022762 0.055917 -0.004127 0.006398 -0.025951 0.044267 27O 2pz -0.087449 -0.071697 0.052884 -0.023072 0.037476 0.081455 27O 2px -0.157483 -0.225796 0.239911 -0.122978 -0.075932 0.107447 27O 2py 0.073048 0.171108 -0.146522 0.123999 -0.019573 0.006501 27O 3pz 0.242599 -0.004774 -0.592536 -0.121225 -0.431635 -0.309193 27O 3px -0.050664 0.403285 0.347531 -0.852271 -0.335634 0.623961 27O 3py -0.190723 -0.135604 1.115096 -0.025216 0.299211 -0.559038 27O 1dz2 0.001582 0.001014 -0.003265 0.001038 0.000685 -0.002015 27O 1dxz 0.001495 -0.003850 0.006272 -0.000743 -0.000118 0.002518 27O 1dyz -0.004659 0.000486 -0.007121 -0.001247 -0.001957 -0.000353 27O 1dx2y2 -0.005769 0.000474 -0.002443 -0.002281 -0.004070 0.000369 27O 1dxy -0.005838 0.005754 -0.006228 0.000468 -0.003570 -0.003025 27O 2dz2 0.000669 0.014425 0.009282 0.042752 0.022702 0.061335 27O 2dxz -0.023896 -0.002394 0.011154 -0.031140 0.013438 0.045447 27O 2dyz 0.010212 -0.013260 -0.017968 0.034876 0.014764 -0.116568 27O 2dx2y2 -0.034351 -0.025222 -0.058246 0.064310 0.033581 0.006006 27O 2dxy -0.021180 0.003355 0.015807 0.058927 -0.014073 -0.000570 27O 1f0 0.000654 0.001989 0.002740 0.000314 0.000537 -0.003490 27O 1f+1 -0.004471 -0.002059 -0.005467 0.000716 0.000284 -0.001634 27O 1f-1 0.001888 -0.000350 0.001885 -0.000290 0.000754 -0.000765 27O 1f+2 0.001992 -0.004407 0.001974 0.003291 0.002273 0.001295 27O 1f-2 0.002968 -0.001183 0.001863 0.003480 0.001234 -0.001924 27O 1f+3 -0.003376 -0.003342 -0.006044 -0.003423 -0.001924 -0.004000 27O 1f-3 0.001557 -0.002505 0.005428 -0.001523 0.000935 -0.000092 28O 1s -0.002219 -0.004288 0.007000 0.000437 -0.004239 0.007943 28O 2s -0.001462 -0.007700 0.016223 0.001841 -0.009680 0.019863 28O 3s -0.073747 -0.054236 -0.013167 -0.012682 -0.003514 -0.012780 28O 4s 0.625356 0.614872 -0.471420 0.040647 0.346477 -0.346613 28O 5s -2.865964 -0.495252 3.906665 -0.610240 -1.153370 -0.394956 28O 1pz 0.011048 -0.070611 -0.029040 -0.014334 -0.017765 -0.030852 28O 1px -0.011391 0.023633 0.000362 0.015935 0.023197 0.025806 28O 1py -0.009734 -0.041251 -0.006369 0.021901 0.016961 -0.034040 28O 2pz 0.181336 -0.230384 -0.309167 0.028726 0.039118 0.131340 28O 2px -0.028884 0.154752 0.191564 -0.019729 0.030979 -0.054385 28O 2py 0.072927 -0.079343 -0.114880 0.102432 0.020375 -0.009416 28O 3pz -0.510374 0.270342 0.718803 0.404358 -0.419904 0.616402 28O 3px -0.436356 -0.414104 0.746080 -0.320191 -0.403258 -0.667955 28O 3py -0.502477 -0.111011 0.912040 -0.435734 0.064767 0.487682 28O 1dz2 0.008727 -0.002329 -0.009259 0.000143 0.001814 0.002421 28O 1dxz -0.001174 0.002044 0.001778 -0.000479 0.001225 -0.002685 28O 1dyz 0.010158 -0.001670 -0.008913 0.000038 0.006840 0.000718 28O 1dx2y2 -0.003783 0.001196 0.003399 0.000288 -0.001371 -0.000700 28O 1dxy 0.001105 0.003192 -0.000691 0.000302 -0.003460 -0.001438 28O 2dz2 0.064848 -0.014924 -0.003249 -0.007344 0.035376 0.089990 28O 2dxz 0.011208 0.010381 -0.056634 -0.042043 0.048957 0.058609 28O 2dyz 0.069018 0.013510 -0.018881 0.071798 -0.006350 0.070752 28O 2dx2y2 -0.012421 -0.010606 0.054931 -0.054442 0.010989 0.006549 28O 2dxy 0.031766 0.018037 -0.019023 -0.025650 -0.016862 0.040385 28O 1f0 0.002262 -0.002182 0.002906 -0.000488 -0.000140 0.000847 28O 1f+1 -0.002153 0.000350 0.005905 0.002981 -0.003585 -0.003074 28O 1f-1 0.000263 0.001082 0.002660 0.003760 -0.001946 0.002989 28O 1f+2 0.000361 0.003380 -0.008262 -0.001857 0.003824 0.001521 28O 1f-2 -0.002912 0.000581 0.003986 -0.003332 -0.000832 0.002324 28O 1f+3 -0.000679 0.003024 -0.001662 -0.000437 0.001659 0.001705 28O 1f-3 -0.001155 0.001056 0.001909 -0.000459 -0.000546 0.000882 29O 1s 0.000123 -0.001394 0.000057 0.003199 0.003089 0.000336 29O 2s 0.000676 -0.004275 0.000352 0.006605 0.004846 0.000500 29O 3s -0.007889 0.020796 -0.005307 0.016848 0.043853 0.006936 29O 4s 0.048049 -0.111774 0.017204 -0.300741 -0.523637 -0.051571 29O 5s -0.171545 0.537950 0.003369 0.963484 1.869371 0.115975 29O 1pz 0.007498 0.023482 -0.008787 -0.012056 -0.002159 -0.005225 29O 1px -0.000618 -0.052867 -0.004869 0.027412 0.002634 0.004342 29O 1py 0.020323 0.005732 -0.000547 -0.026882 -0.012224 -0.005115 29O 2pz -0.009306 0.013935 -0.086783 -0.015214 -0.032380 0.048455 29O 2px -0.011476 -0.018588 -0.029741 0.039662 0.065256 0.016821 29O 2py 0.000455 -0.039175 0.000038 0.044728 0.029490 0.008753 29O 3pz 0.108135 0.061516 0.380042 -0.117682 -0.076801 -0.433423 29O 3px -0.042357 -0.257958 0.131985 0.299351 0.158038 -0.107069 29O 3py 0.106558 0.093671 -0.039612 -0.770670 -1.018520 -0.043863 29O 1dz2 0.000113 0.001133 0.003278 0.002959 0.004746 -0.003222 29O 1dxz -0.001694 0.003210 -0.003777 0.000602 0.003230 0.005937 29O 1dyz 0.001325 0.001427 -0.000457 -0.003450 -0.004039 0.002695 29O 1dx2y2 -0.000213 -0.005170 -0.001459 0.002776 -0.000908 0.002910 29O 1dxy -0.000801 -0.002811 0.000208 0.006103 0.006913 0.001401 29O 2dz2 -0.046227 -0.051323 0.079992 0.197735 0.252031 -0.085885 29O 2dxz -0.033907 0.002795 -0.100247 0.066535 0.124785 0.169348 29O 2dyz -0.012914 0.026593 -0.044826 -0.099512 -0.121055 0.122726 29O 2dx2y2 -0.032897 0.006918 -0.035812 0.126304 0.064281 0.096683 29O 2dxy -0.009295 -0.025894 -0.004953 0.084801 0.134895 0.048700 29O 1f0 -0.000709 -0.003694 -0.001322 0.003115 -0.000292 0.000185 29O 1f+1 0.000620 0.002220 -0.000740 -0.002028 -0.000326 -0.000007 29O 1f-1 -0.000421 -0.002331 -0.003311 0.000674 -0.001129 0.000898 29O 1f+2 -0.000136 0.002837 0.001779 -0.002838 -0.000073 -0.002130 29O 1f-2 0.001833 -0.001619 0.003433 -0.000386 -0.001864 0.000502 29O 1f+3 -0.000588 0.003957 -0.001115 -0.002968 -0.000876 -0.000178 29O 1f-3 0.000319 0.001924 -0.001740 -0.001849 -0.001779 -0.000600 30O 1s -0.001670 -0.004927 -0.001385 -0.002489 0.007375 0.001181 30O 2s -0.006076 -0.009035 -0.003321 -0.006325 0.016510 0.001027 30O 3s 0.048785 -0.060123 0.015896 -0.005887 0.020739 0.052308 30O 4s -0.288441 0.653752 0.165903 0.154409 -0.472151 -0.339870 30O 5s 1.391570 -0.039178 -3.279883 1.106359 0.228620 -0.686944 30O 1pz 0.003843 -0.047143 -0.007522 0.012378 -0.003685 0.033782 30O 1px 0.007532 0.019618 -0.024347 0.012451 -0.041099 0.005561 30O 1py -0.031259 0.061574 0.008011 0.005119 0.047784 0.004988 30O 2pz -0.049893 -0.194040 0.180657 -0.107001 0.044225 0.220091 30O 2px -0.012909 0.161463 -0.183800 0.075808 -0.137059 -0.107310 30O 2py -0.005769 0.230838 -0.198781 0.198345 -0.001003 -0.119556 30O 3pz 0.098686 0.051039 -0.080294 -0.584602 0.711455 -0.045214 30O 3px 0.236796 -0.257001 -1.185285 0.558031 -0.284002 -0.550527 30O 3py -0.095279 -0.016837 0.050878 0.323420 -0.696528 -0.658908 30O 1dz2 -0.000090 -0.001441 -0.002439 -0.001078 0.000987 0.000828 30O 1dxz -0.000069 0.001245 -0.000054 0.002439 -0.004206 -0.003978 30O 1dyz 0.008163 0.003636 -0.008463 0.003045 -0.000101 -0.000339 30O 1dx2y2 0.006287 0.003676 -0.004261 0.003957 0.002666 0.000621 30O 1dxy 0.004999 -0.002920 0.002206 -0.004709 0.001563 0.003772 30O 2dz2 -0.016215 -0.003129 0.000721 0.062567 -0.008291 0.080936 30O 2dxz 0.004424 -0.010733 0.083618 -0.055851 0.052588 0.087161 30O 2dyz 0.055240 -0.004945 -0.001524 0.058964 0.015439 -0.040145 30O 2dx2y2 0.008533 0.013758 -0.021399 0.031428 -0.004027 0.014552 30O 2dxy 0.037468 0.000815 -0.094965 0.116423 -0.096121 -0.079864 30O 1f0 -0.001530 -0.002026 -0.003054 0.005140 -0.003500 -0.003011 30O 1f+1 -0.000447 0.001274 -0.000786 -0.000632 0.000936 -0.003184 30O 1f-1 0.001763 0.000772 -0.001290 0.000347 -0.000342 -0.004508 30O 1f+2 0.001078 0.001731 0.003616 0.002640 0.002575 0.000300 30O 1f-2 -0.002127 0.000580 0.008474 -0.000277 0.001453 0.003468 30O 1f+3 0.002815 0.002297 -0.001097 -0.000015 0.002331 0.002544 30O 1f-3 -0.001657 0.001678 0.004971 -0.002341 0.002345 0.001796 31O 1s 0.002041 -0.004952 -0.001245 0.002287 0.007267 -0.002057 31O 2s 0.006802 -0.008863 -0.002952 0.005901 0.016372 -0.002974 31O 3s -0.045457 -0.064840 0.016423 0.003954 0.017563 -0.054859 31O 4s 0.246767 0.686950 0.155115 -0.145124 -0.450302 0.403566 31O 5s -1.361744 -0.201686 -3.380291 -0.937370 0.255542 0.568690 31O 1pz 0.001329 0.046956 0.007514 0.010890 0.006413 0.033471 31O 1px 0.008790 -0.018972 0.024959 0.009095 0.042091 0.001448 31O 1py -0.028695 -0.062580 -0.006918 0.007419 -0.045742 0.008866 31O 2pz -0.059511 0.187999 -0.191623 -0.096281 -0.029369 0.221757 31O 2px -0.004294 -0.162452 0.189000 0.060700 0.131117 -0.119527 31O 2py 0.005035 -0.225010 0.216947 0.188933 -0.000883 -0.117273 31O 3pz 0.095230 -0.043408 0.034734 -0.567856 -0.737157 0.021326 31O 3px 0.220859 0.295423 1.238593 0.474739 0.258858 -0.546348 31O 3py -0.087032 0.002520 -0.026841 0.278391 0.647448 -0.736972 31O 1dz2 0.000170 -0.001452 -0.002319 0.001344 0.000940 -0.000901 31O 1dxz -0.000019 0.001259 -0.000335 -0.002372 -0.004070 0.004380 31O 1dyz -0.008314 0.003000 -0.008698 -0.002603 -0.000062 0.000055 31O 1dx2y2 -0.006453 0.003250 -0.004548 -0.003790 0.002664 -0.001072 31O 1dxy -0.004823 -0.003099 0.002648 0.004385 0.001546 -0.004032 31O 2dz2 0.016033 -0.003144 -0.003733 -0.062783 -0.016857 -0.079907 31O 2dxz -0.003501 -0.011343 0.087795 0.046946 0.047544 -0.091845 31O 2dyz -0.055208 -0.009990 -0.006587 -0.058274 0.018737 0.038023 31O 2dx2y2 -0.009497 0.011852 -0.024813 -0.030880 -0.006655 -0.014239 31O 2dxy -0.038116 -0.000649 -0.104018 -0.107655 -0.093687 0.087698 31O 1f0 -0.001618 0.001916 0.003450 0.004818 0.003472 -0.003318 31O 1f+1 -0.000399 -0.001260 0.000718 -0.000645 -0.001268 -0.003089 31O 1f-1 0.001806 -0.000640 0.001372 0.000221 -0.000035 -0.004527 31O 1f+2 0.001160 -0.001584 -0.003324 0.002920 -0.002442 0.000408 31O 1f-2 -0.002067 -0.000661 -0.008424 0.000274 -0.001129 0.003419 31O 1f+3 0.002887 -0.002182 0.001034 0.000081 -0.002178 0.002823 31O 1f-3 -0.001566 -0.001573 -0.005052 -0.001945 -0.002250 0.001917 32O 1s -0.000011 -0.001394 -0.000146 -0.003330 0.002960 -0.000453 32O 2s -0.000394 -0.004300 -0.000010 -0.006877 0.004609 -0.000556 32O 3s 0.007414 0.021314 -0.007775 -0.017115 0.042288 -0.011335 32O 4s -0.048272 -0.115257 0.042168 0.314168 -0.507853 0.087175 32O 5s 0.161367 0.549614 -0.062328 -1.021252 1.827408 -0.229630 32O 1pz 0.008442 -0.022927 0.008070 -0.012010 0.000587 -0.005074 32O 1px -0.003486 0.052823 0.006318 0.027347 -0.001552 0.004768 32O 1py 0.020636 -0.004389 -0.001032 -0.027383 0.010923 -0.005278 32O 2pz -0.007710 -0.015481 0.085348 -0.025622 0.035815 0.046542 32O 2px -0.012974 0.017610 0.030421 0.039377 -0.063386 0.019108 32O 2py -0.002387 0.038776 0.006953 0.044211 -0.026049 0.013841 32O 3pz 0.107381 -0.051002 -0.382322 -0.066205 0.022094 -0.429828 32O 3px -0.057883 0.255016 -0.106635 0.317781 -0.160935 -0.089099 32O 3py 0.121447 -0.084608 -0.020162 -0.800679 0.987925 -0.119867 32O 1dz2 -0.000135 0.001105 0.003123 -0.003511 0.004986 0.002875 32O 1dxz 0.001496 0.003307 -0.003731 -0.000176 0.002666 -0.006035 32O 1dyz -0.001386 0.001254 -0.000185 0.003480 -0.003882 -0.002356 32O 1dx2y2 0.000442 -0.005150 -0.001510 -0.002569 -0.001189 -0.002660 32O 1dxy 0.001040 -0.002759 -0.000268 -0.006338 0.006665 -0.001983 32O 2dz2 0.051047 -0.048275 0.069572 -0.218933 0.256765 0.073579 32O 2dxz 0.033261 0.004212 -0.101136 -0.056652 0.109504 -0.170538 32O 2dyz 0.013795 0.024094 -0.037813 0.095039 -0.112009 -0.112839 32O 2dx2y2 0.031411 0.008516 -0.041288 -0.124223 0.054089 -0.093305 32O 2dxy 0.012630 -0.026218 -0.011677 -0.091117 0.131923 -0.063747 32O 1f0 -0.000884 0.003449 0.001535 0.002899 0.000397 0.000264 32O 1f+1 0.000756 -0.002309 0.000555 -0.002132 0.000156 -0.000116 32O 1f-1 -0.000539 0.002402 0.003450 0.000332 0.001325 0.000914 32O 1f+2 0.000021 -0.002971 -0.002059 -0.002634 -0.000231 -0.002247 32O 1f-2 0.001728 0.001708 -0.003378 -0.000208 0.001861 0.000402 32O 1f+3 -0.000357 -0.003912 0.000780 -0.003023 0.000742 -0.000314 32O 1f-3 0.000423 -0.001891 0.001657 -0.002023 0.001700 -0.000640 33O 1s 0.002405 -0.004303 0.007010 -0.001029 -0.004798 -0.007466 33O 2s 0.001774 -0.007929 0.016191 -0.003186 -0.011006 -0.018775 33O 3s 0.076681 -0.050149 -0.012322 0.012561 -0.004738 0.013201 33O 4s -0.654234 0.586731 -0.474756 -0.001628 0.382741 0.306470 33O 5s 2.860769 -0.386447 3.946464 0.400891 -1.099201 0.554428 33O 1pz 0.007151 0.069794 0.028372 -0.017315 0.016412 -0.032963 33O 1px -0.010305 -0.023794 0.000459 0.015347 -0.020616 0.027562 33O 1py -0.011877 0.039770 0.008740 0.021546 -0.018238 -0.032677 33O 2pz 0.166412 0.233981 0.311180 0.013664 -0.021939 0.135901 33O 2px -0.020152 -0.154584 -0.192943 -0.012453 -0.039394 -0.053588 33O 2py 0.068148 0.079178 0.123540 0.095501 -0.016202 -0.007227 33O 3pz -0.492923 -0.293612 -0.686872 0.459449 0.489264 0.574843 33O 3px -0.447511 0.407428 -0.769325 -0.304560 0.328490 -0.719819 33O 3py -0.508272 0.091390 -0.947861 -0.358664 -0.035756 0.490210 33O 1dz2 -0.008508 -0.002767 -0.009198 0.000450 0.001646 -0.002614 33O 1dxz 0.001048 0.002000 0.001892 0.000477 0.001572 0.002580 33O 1dyz -0.009970 -0.002183 -0.008844 0.000292 0.006874 -0.001485 33O 1dx2y2 0.003704 0.001492 0.003357 -0.000572 -0.001405 0.000814 33O 1dxy -0.001312 0.003015 -0.000711 -0.000036 -0.003283 0.001778 33O 2dz2 -0.063622 -0.018205 -0.002773 0.006710 0.029096 -0.093346 33O 2dxz -0.010462 0.010042 -0.053668 0.040115 0.042565 -0.064169 33O 2dyz -0.069944 0.010771 -0.023813 -0.070523 -0.014362 -0.071078 33O 2dx2y2 0.012909 -0.010169 0.058755 0.051773 0.013697 -0.007760 33O 2dxy -0.032315 0.015583 -0.017172 0.026418 -0.019640 -0.038558 33O 1f0 0.002143 0.002309 -0.002902 -0.000337 0.000158 0.000767 33O 1f+1 -0.002061 -0.000442 -0.005574 0.003197 0.003342 -0.003463 33O 1f-1 0.000336 -0.001164 -0.002332 0.003906 0.002395 0.002812 33O 1f+2 0.000468 -0.003203 0.008086 -0.002162 -0.003663 0.001985 33O 1f-2 -0.002829 -0.000732 -0.004235 -0.003098 0.000913 0.002219 33O 1f+3 -0.000539 -0.003013 0.001629 -0.000380 -0.001456 0.001925 33O 1f-3 -0.001070 -0.001216 -0.001969 -0.000330 0.000608 0.000820 34O 1s -0.002735 -0.000609 -0.007212 0.003297 -0.006575 -0.004282 34O 2s -0.007005 0.000308 -0.016167 0.008028 -0.014683 -0.011089 34O 3s 0.023197 -0.042549 -0.001394 0.004787 -0.017330 0.011952 34O 4s -0.090601 0.322712 0.570475 -0.230099 0.496160 0.136686 34O 5s -0.371781 0.328141 -3.849601 -0.544382 -0.711955 0.681082 34O 1pz -0.031980 0.028944 -0.009313 -0.001025 -0.007601 0.010374 34O 1px -0.051578 0.046596 -0.008069 0.019876 0.021161 -0.022805 34O 1py 0.025919 -0.053035 0.004493 0.005498 0.028161 0.040786 34O 2pz -0.090957 0.063899 -0.055983 -0.018295 -0.029465 0.084081 34O 2px -0.166671 0.209916 -0.249646 -0.117817 0.089267 0.093289 34O 2py 0.081769 -0.159586 0.157345 0.115809 0.020310 0.006589 34O 3pz 0.243554 0.035681 0.586782 -0.160974 0.393590 -0.327250 34O 3px -0.019078 -0.418358 -0.425633 -0.854647 0.357606 0.567246 34O 3py -0.202431 0.104894 -1.112331 0.070788 -0.341807 -0.541528 34O 1dz2 -0.001612 0.000889 -0.003406 -0.000889 0.000830 0.001829 34O 1dxz -0.001299 -0.003941 0.006381 0.000219 -0.000260 -0.002469 34O 1dyz 0.004619 0.000738 -0.007022 0.001773 -0.002011 0.000420 34O 1dx2y2 0.005672 0.000925 -0.002260 0.002570 -0.004162 0.000036 34O 1dxy 0.005514 0.005900 -0.006389 -0.000182 -0.003384 0.003125 34O 2dz2 -0.001790 0.014109 0.006560 -0.040252 0.014470 -0.061646 34O 2dxz 0.023880 -0.000986 0.013894 0.029592 0.010676 -0.045855 34O 2dyz -0.008803 -0.014745 -0.022142 -0.035399 0.023013 0.112768 34O 2dx2y2 0.036584 -0.024591 -0.062753 -0.063991 0.032750 -0.010991 34O 2dxy 0.020674 0.003468 0.010468 -0.058422 -0.018056 0.002277 34O 1f0 0.000748 -0.001883 -0.002673 0.000509 -0.000836 -0.003495 34O 1f+1 -0.004606 0.001823 0.005486 0.000515 -0.000477 -0.001510 34O 1f-1 0.001848 0.000412 -0.001891 -0.000186 -0.000798 -0.000702 34O 1f+2 0.001729 0.004489 -0.001710 0.003473 -0.002069 0.001523 34O 1f-2 0.002878 0.001469 -0.001534 0.003638 -0.001317 -0.001769 34O 1f+3 -0.003585 0.003039 0.005702 -0.003657 0.001390 -0.003977 34O 1f-3 0.001432 0.002638 -0.005544 -0.001270 -0.000923 -0.000049 35O 1s 0.006274 -0.002402 0.000046 0.000175 0.004970 -0.002681 35O 2s 0.013722 -0.003595 0.000591 -0.000152 0.011609 -0.004521 35O 3s 0.003704 -0.047224 -0.025335 0.002137 0.002973 -0.060017 35O 4s -0.229146 0.454341 -0.048571 -0.014176 -0.222103 0.458047 35O 5s 1.587100 -0.129108 3.388206 0.743035 -0.304259 0.931415 35O 1pz 0.044845 0.043069 -0.025168 -0.010478 0.030977 0.010336 35O 1px 0.052498 0.034076 0.025330 0.002698 -0.023693 0.015493 35O 1py 0.044261 0.038870 0.004294 0.021165 0.034046 -0.013027 35O 2pz 0.189071 0.120202 0.107815 0.038777 0.037694 0.131821 35O 2px 0.177274 0.165333 0.320356 0.055182 -0.113652 0.281902 35O 2py 0.176453 0.137109 0.190292 0.128197 -0.019408 0.120585 35O 3pz -0.733388 0.172624 -0.701964 0.203794 -0.221019 0.158328 35O 3px 0.311961 -0.307676 0.967252 0.542789 -0.552891 0.877631 35O 3py -0.352845 -0.109037 0.125283 -0.186536 0.074098 0.791908 35O 1dz2 0.006383 0.000697 -0.000372 0.002152 -0.000597 0.004987 35O 1dxz 0.003029 -0.005550 -0.004575 -0.003202 0.001704 -0.003617 35O 1dyz 0.005401 -0.001920 -0.007125 0.000305 0.001586 0.001993 35O 1dx2y2 -0.005318 0.000815 0.000757 -0.000155 0.004212 -0.002910 35O 1dxy -0.000456 -0.002070 -0.008325 -0.002630 -0.001419 -0.003815 35O 2dz2 -0.002815 0.021393 -0.101202 -0.007345 0.006887 -0.161618 35O 2dxz -0.014826 -0.005023 0.035017 0.053740 -0.032876 0.002415 35O 2dyz -0.016086 0.002643 -0.042367 -0.083307 0.041081 -0.061917 35O 2dx2y2 -0.027248 -0.011912 0.058157 0.039303 -0.027001 0.050589 35O 2dxy -0.019769 -0.007264 0.048933 0.011530 -0.055047 0.064890 35O 1f0 0.001378 -0.002427 -0.001628 0.001890 -0.001704 -0.001239 35O 1f+1 0.006115 0.002073 -0.004545 -0.001352 0.002418 -0.003823 35O 1f-1 0.003728 -0.000449 -0.004209 0.001676 0.001282 0.003330 35O 1f+2 -0.003833 0.003117 0.001533 -0.002329 0.001954 0.000004 35O 1f-2 0.001808 0.001362 0.001404 0.000785 0.000634 0.003158 35O 1f+3 0.002417 0.003766 -0.002711 0.003311 0.002037 -0.004355 35O 1f-3 0.003598 0.002235 -0.007698 -0.002376 0.001254 -0.006043 300 301 302 303 304 305 1.35103 1.38685 1.38905 1.41042 1.42429 1.42934 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s -0.000257 0.000252 -0.000350 -0.000630 0.000899 -0.000090 0Rh 2s 0.001519 -0.000673 0.001071 0.001194 -0.005071 0.000214 0Rh 3s -0.000571 0.001060 -0.001393 -0.002957 0.002154 -0.000395 0Rh 4s -0.007313 0.003065 -0.004943 -0.005256 0.024410 -0.000968 0Rh 5s 0.011060 0.000107 0.001575 -0.006021 -0.034928 -0.000334 0Rh 6s -0.002423 -0.020324 0.024815 0.060058 -0.005187 0.007646 0Rh 7s -0.003145 0.179240 -0.058832 -0.670289 0.265475 -0.016404 0Rh 8s 0.007636 0.104980 0.044896 -0.916253 -0.112445 0.007096 0Rh 1pz 0.005792 -0.013104 0.028003 -0.010313 -0.007814 0.004262 0Rh 1px 0.003279 -0.015223 0.000566 0.030680 -0.007818 0.000445 0Rh 1py 0.001070 0.025175 0.015533 0.011173 0.013723 0.002424 0Rh 2pz -0.019641 0.043767 -0.093730 0.034618 0.025734 -0.014641 0Rh 2px -0.010993 0.051076 -0.001778 -0.103621 0.026000 -0.001584 0Rh 2py -0.003567 -0.084241 -0.051940 -0.037622 -0.045674 -0.008125 0Rh 3pz 0.003512 0.005056 -0.006299 0.000000 0.010311 0.007530 0Rh 3px -0.000274 0.000366 -0.003071 0.014330 0.004909 0.002136 0Rh 3py -0.000506 -0.006437 -0.004721 0.003944 -0.008476 -0.000691 0Rh 4pz 0.105330 -0.273223 0.566028 -0.198144 -0.186649 0.050023 0Rh 4px 0.064936 -0.293842 0.025227 0.530287 -0.165530 -0.001321 0Rh 4py 0.022934 0.513642 0.319395 0.189073 0.294620 0.051295 0Rh 5pz -0.218350 0.423967 -0.873949 0.303304 0.286281 -0.060905 0Rh 5px -0.111083 0.446359 -0.048989 -0.775376 0.234368 0.010155 0Rh 5py -0.041122 -0.799625 -0.496273 -0.237561 -0.444553 -0.081126 0Rh 6pz 2.283801 0.144944 0.022924 -0.801402 0.540912 0.019789 0Rh 6px 0.673944 -0.337508 -0.222802 1.846519 0.420351 -0.098097 0Rh 6py 0.279213 -0.060770 -0.064160 -0.667917 -0.909429 -0.080618 0Rh 1dz2 -0.025625 -0.008568 0.020944 -0.005144 -0.004044 -0.032486 0Rh 1dxz 0.022719 0.013263 -0.027656 0.001849 0.004035 0.018561 0Rh 1dyz -0.036131 0.013097 0.006125 0.000630 0.016537 -0.045259 0Rh 1dx2y2 -0.003648 0.015987 -0.002861 0.005569 0.015859 -0.000633 0Rh 1dxy -0.012403 -0.028118 -0.018578 0.003269 -0.000353 -0.021830 0Rh 2dz2 0.003156 0.001420 -0.003386 0.001179 0.000693 0.005245 0Rh 2dxz -0.001320 -0.002380 0.004318 0.000353 -0.001606 -0.001788 0Rh 2dyz 0.007575 -0.002093 -0.000827 -0.000123 -0.005668 0.008978 0Rh 2dx2y2 0.001625 -0.002298 0.000721 -0.002488 -0.003721 0.000587 0Rh 2dxy 0.002919 0.004707 0.003248 -0.000295 0.001458 0.003929 0Rh 3dz2 0.043532 0.013247 -0.032811 0.006578 0.006234 0.051186 0Rh 3dxz -0.045158 -0.019801 0.044107 -0.005765 -0.002260 -0.034651 0Rh 3dyz 0.047818 -0.020675 -0.010293 -0.000863 -0.013117 0.063903 0Rh 3dx2y2 0.001144 -0.026259 0.003375 -0.001910 -0.019946 -0.001130 0Rh 3dxy 0.015028 0.043475 0.028164 -0.006210 -0.005382 0.032700 0Rh 4dz2 0.073590 0.026816 -0.063694 0.020162 0.012891 0.102745 0Rh 4dxz -0.041221 -0.043497 0.081821 0.002948 -0.027063 -0.039340 0Rh 4dyz 0.150302 -0.038949 -0.016426 -0.003560 -0.094937 0.169561 0Rh 4dx2y2 0.027012 -0.044910 0.011629 -0.038190 -0.066916 0.009635 0Rh 4dxy 0.056323 0.086984 0.059322 -0.004312 0.020136 0.074036 0Rh 5dz2 -0.299550 -0.078760 0.171261 -0.033634 -0.027637 -0.348207 0Rh 5dxz 0.104944 0.119650 -0.226875 0.018867 0.102882 0.087996 0Rh 5dyz -0.692160 0.100044 0.049429 0.041779 0.365593 -0.642031 0Rh 5dx2y2 -0.125400 0.124748 -0.019226 0.083819 0.234675 -0.051858 0Rh 5dxy -0.267758 -0.229905 -0.156756 -0.045655 -0.054546 -0.252556 0Rh 1f0 0.017294 -0.022110 -0.010835 0.064450 0.013784 -0.020643 0Rh 1f+1 0.001999 0.008987 -0.015061 -0.012122 0.000437 -0.005602 0Rh 1f-1 -0.041454 -0.014490 -0.034349 0.053081 -0.012510 0.008808 0Rh 1f+2 0.034293 -0.017867 0.035831 -0.012394 0.031258 -0.021885 0Rh 1f-2 -0.005148 -0.030823 -0.010322 0.023738 0.037175 0.009204 0Rh 1f+3 -0.019947 0.033713 0.000619 -0.048987 -0.029159 0.010255 0Rh 1f-3 0.006557 -0.014013 -0.006218 -0.029496 0.015681 -0.011412 1Rh 1s -0.000261 -0.000250 0.000335 0.000641 0.000937 0.000122 1Rh 2s 0.001526 0.000666 -0.000998 -0.001261 -0.005215 -0.000344 1Rh 3s -0.000588 -0.001057 0.001350 0.002980 0.002285 0.000503 1Rh 4s -0.007341 -0.003033 0.004597 0.005578 0.025090 0.001584 1Rh 5s 0.011026 -0.000141 -0.001144 0.005512 -0.035478 -0.000247 1Rh 6s -0.002111 0.020250 -0.024480 -0.059868 -0.007268 -0.009113 1Rh 7s -0.008970 -0.181724 0.058338 0.670453 0.262619 0.031364 1Rh 8s 0.010797 -0.103024 -0.046135 0.913867 -0.142774 -0.010409 1Rh 1pz -0.006091 -0.013155 0.027941 -0.009827 0.007790 0.004986 1Rh 1px -0.003555 -0.015251 0.000511 0.030914 0.006851 0.000720 1Rh 1py -0.001786 0.025245 0.015450 0.010932 -0.014156 0.002224 1Rh 2pz 0.020647 0.043939 -0.093516 0.032989 -0.025645 -0.017034 1Rh 2px 0.011920 0.051175 -0.001596 -0.104398 -0.022747 -0.002514 1Rh 2py 0.005975 -0.084476 -0.051667 -0.036817 0.047131 -0.007446 1Rh 3pz -0.003501 0.005003 -0.006414 -0.000097 -0.010522 0.006750 1Rh 3px 0.000209 0.000234 -0.003052 0.014153 -0.005041 0.002277 1Rh 3py 0.000473 -0.006441 -0.004607 0.004036 0.008388 -0.000801 1Rh 4pz -0.111465 -0.274050 0.565183 -0.188352 0.187195 0.066682 1Rh 4px -0.069807 -0.293876 0.024080 0.535425 0.147457 0.003426 1Rh 4py -0.037063 0.515009 0.317378 0.184161 -0.302544 0.047730 1Rh 5pz 0.229656 0.425566 -0.872370 0.287982 -0.288643 -0.085865 1Rh 5px 0.117753 0.446134 -0.046942 -0.783527 -0.205970 0.003511 1Rh 5py 0.065682 -0.801871 -0.492913 -0.230594 0.456503 -0.075445 1Rh 6pz -2.336125 0.134450 0.006523 -0.800172 -0.487672 -0.037546 1Rh 6px -0.680880 -0.336946 -0.231550 1.849830 -0.521719 -0.121051 1Rh 6py -0.376860 -0.056278 -0.073259 -0.645169 0.893079 -0.083572 1Rh 1dz2 -0.025881 0.008443 -0.021188 0.005547 -0.004967 0.032116 1Rh 1dxz 0.023058 -0.013057 0.027771 -0.001989 0.004472 -0.017863 1Rh 1dyz -0.036705 -0.013277 -0.006249 0.000186 0.015294 0.045445 1Rh 1dx2y2 -0.003629 -0.016012 0.002943 -0.005491 0.015870 0.000642 1Rh 1dxy -0.011964 0.027898 0.018534 -0.003142 -0.000537 0.022232 1Rh 2dz2 0.003222 -0.001418 0.003420 -0.001207 0.000850 -0.005167 1Rh 2dxz -0.001337 0.002359 -0.004312 -0.000423 -0.001633 0.001594 1Rh 2dyz 0.007656 0.002117 0.000820 -0.000056 -0.005394 -0.009088 1Rh 2dx2y2 0.001610 0.002317 -0.000730 0.002426 -0.003725 -0.000655 1Rh 2dxy 0.002827 -0.004697 -0.003228 0.000281 0.001537 -0.003992 1Rh 3dz2 0.043824 -0.012978 0.033215 -0.007368 0.007655 -0.050685 1Rh 3dxz -0.045845 0.019425 -0.044394 0.006383 -0.003139 0.033899 1Rh 3dyz 0.048755 0.020975 0.010595 -0.000204 -0.011481 -0.063847 1Rh 3dx2y2 0.001170 0.026230 -0.003519 0.001999 -0.019961 0.001399 1Rh 3dxy 0.014435 -0.043027 -0.028153 0.005985 -0.005313 -0.033342 1Rh 4dz2 0.074715 -0.026627 0.064427 -0.020987 0.015826 -0.101258 1Rh 4dxz -0.041793 0.042991 -0.081846 -0.003763 -0.027895 0.035961 1Rh 4dyz 0.151984 0.039514 0.016568 0.000162 -0.089936 -0.171264 1Rh 4dx2y2 0.026710 0.045220 -0.011862 0.037250 -0.066757 -0.010546 1Rh 4dxy 0.054581 -0.086587 -0.058963 0.003963 0.021541 -0.075309 1Rh 5dz2 -0.303036 0.077821 -0.174037 0.037173 -0.035077 0.343127 1Rh 5dxz 0.106756 -0.117767 0.226795 -0.015811 0.107608 -0.076350 1Rh 5dyz -0.697404 -0.102975 -0.051388 -0.027706 0.347616 0.648682 1Rh 5dx2y2 -0.123929 -0.126287 0.020207 -0.080110 0.228963 0.055114 1Rh 5dxy -0.260823 0.228134 0.154919 0.047772 -0.062619 0.257438 1Rh 1f0 -0.016002 -0.022434 -0.011025 0.064480 -0.013985 -0.020290 1Rh 1f+1 -0.001094 0.008872 -0.015206 -0.011652 0.000237 -0.004862 1Rh 1f-1 0.045709 -0.014205 -0.033782 0.052485 0.010919 0.011163 1Rh 1f+2 -0.034289 -0.018143 0.035417 -0.012493 -0.029758 -0.023639 1Rh 1f-2 0.007815 -0.030929 -0.010532 0.022908 -0.037536 0.008935 1Rh 1f+3 0.020021 0.033953 0.000778 -0.048522 0.029446 0.011351 1Rh 1f-3 -0.006174 -0.013894 -0.006215 -0.029559 -0.014575 -0.011864 2C 1s 0.002534 0.000781 -0.024972 -0.013022 -0.007798 -0.014145 2C 2s 0.005106 0.002687 -0.083848 -0.043568 -0.024890 -0.046050 2C 3s 0.023295 0.000861 1.134608 0.403277 0.287702 0.422914 2C 4s -0.333147 -0.106954 -3.934614 -1.014138 -0.951443 -1.012840 2C 5s -2.542430 0.161221 2.786304 0.285544 0.100747 0.673931 2C 1pz -0.077447 0.024553 0.002007 0.021935 -0.018573 0.107130 2C 1px 0.038859 0.028748 0.070378 -0.011485 0.026294 -0.084671 2C 1py -0.004560 -0.062512 0.002454 0.012138 0.009731 -0.076281 2C 2pz 0.012293 -0.119840 -1.279948 -0.176278 -0.145197 -0.300799 2C 2px -0.128998 -0.083642 -0.228192 0.102715 -0.024135 0.126099 2C 2py -0.115376 0.125061 -0.902242 -0.126242 -0.207498 0.154562 2C 3pz -0.619611 0.069710 -0.144311 -0.271545 -0.151189 -0.024533 2C 3px -0.289933 0.096363 0.583184 -0.094688 0.173737 -0.050418 2C 3py -0.410607 -0.092403 -0.159142 -0.044211 -0.129259 -0.252008 2C 1dz2 0.008087 -0.003426 0.004170 0.005060 -0.000071 -0.007432 2C 1dxz -0.000598 -0.000460 -0.000868 0.002479 0.000562 0.019269 2C 1dyz 0.006964 0.002014 0.004729 0.007104 0.003211 0.005322 2C 1dx2y2 -0.005735 -0.002290 -0.005156 -0.004277 -0.004080 0.000959 2C 1dxy -0.003722 -0.002606 -0.002246 0.000530 0.001191 0.010269 2C 2dz2 -0.077666 0.065598 -0.425996 -0.099293 -0.070865 0.100659 2C 2dxz 0.172588 0.120957 -0.299953 -0.201916 -0.071595 -0.225533 2C 2dyz -0.076864 -0.068535 -0.527411 -0.002255 -0.046970 -0.005275 2C 2dx2y2 -0.126927 0.077420 0.362185 0.071914 0.047580 0.216044 2C 2dxy 0.135683 -0.064719 -0.031826 -0.030439 0.070234 -0.243176 2C 1f0 -0.014612 0.000170 -0.006219 0.007673 -0.007664 0.018277 2C 1f+1 0.003842 -0.007962 0.002404 0.016750 0.008434 -0.000666 2C 1f-1 0.005992 -0.004851 -0.049491 0.011863 -0.005856 0.007719 2C 1f+2 0.009612 0.002396 0.018091 -0.005569 0.003211 -0.010404 2C 1f-2 0.004654 0.000477 -0.033226 0.000250 -0.010475 -0.008442 2C 1f+3 0.003943 0.005331 0.001084 0.007992 0.003164 0.010797 2C 1f-3 -0.006720 0.000322 0.015901 0.004425 0.009319 0.016879 3C 1s 0.002098 0.024427 -0.000253 0.016283 -0.002782 -0.018687 3C 2s 0.010023 0.081978 -0.000855 0.053492 -0.010465 -0.059139 3C 3s -0.187122 -1.113788 0.035300 -0.560911 0.046653 0.557383 3C 4s 0.845654 3.873867 -0.196100 1.609101 0.163554 -1.295764 3C 5s 1.935624 -2.617591 0.309317 -2.078523 -0.074511 1.473705 3C 1pz 0.017417 0.032168 -0.056740 0.028605 0.063527 -0.092644 3C 1px 0.038342 -0.031311 -0.030838 -0.043859 -0.263066 0.112020 3C 1py -0.063069 0.028408 -0.037370 -0.043178 -0.099375 0.050072 3C 2pz 0.135687 0.835929 0.103794 0.070698 0.005667 0.240715 3C 2px 0.079903 0.441890 0.039217 0.201450 0.503754 -0.162724 3C 2py -0.108025 -1.276352 0.162962 -0.093872 0.141020 -0.191609 3C 3pz 0.313857 0.483950 -0.105442 0.355589 0.148448 -0.072882 3C 3px 0.425934 -0.279817 -0.017948 -0.177959 -0.423307 0.135456 3C 3py -0.621671 0.029687 -0.098473 0.043523 -0.060546 0.208354 3C 1dz2 0.000445 -0.003082 0.004253 0.002975 -0.011667 0.008549 3C 1dxz -0.003344 -0.002685 0.001815 -0.005031 0.008184 0.000767 3C 1dyz 0.007877 0.004684 -0.000591 0.003941 0.007859 -0.011442 3C 1dx2y2 0.004740 0.003291 0.001736 0.012913 0.016641 -0.013512 3C 1dxy 0.009112 0.000855 -0.003299 0.006042 -0.032685 0.010132 3C 2dz2 -0.005610 -0.006882 -0.020575 0.055172 0.168248 -0.064946 3C 2dxz 0.014468 0.340422 -0.114636 -0.040160 -0.454705 0.229775 3C 2dyz 0.000046 -0.389006 0.099436 -0.157055 -0.212821 0.122163 3C 2dx2y2 -0.022077 -0.520956 -0.102935 -0.123187 -0.204738 0.032024 3C 2dxy -0.114613 -0.384467 -0.002066 -0.036947 0.271433 -0.192178 3C 1f0 -0.000153 -0.032861 -0.004743 0.011480 -0.013246 -0.019028 3C 1f+1 0.002338 -0.012467 0.003006 0.000623 0.021350 -0.018283 3C 1f-1 0.010107 0.008395 -0.000685 0.017907 0.005139 -0.006409 3C 1f+2 -0.003587 -0.045924 0.002771 -0.008400 -0.019560 0.017608 3C 1f-2 -0.006792 -0.025107 0.002589 -0.003939 -0.003387 0.007894 3C 1f+3 -0.003944 0.016243 -0.008316 -0.008893 -0.015337 0.015097 3C 1f-3 0.004966 0.006246 0.000097 0.004443 -0.028728 0.004303 4C 1s -0.007461 0.002900 0.000670 -0.021381 -0.001904 -0.021504 4C 2s -0.023010 0.009226 0.001096 -0.068072 -0.006622 -0.067712 4C 3s 0.165120 -0.114992 0.074502 0.922068 0.216176 0.840151 4C 4s -0.588693 0.354703 0.234452 -2.780677 -0.791349 -2.303130 4C 5s 0.101164 -0.193526 -1.101429 -1.164829 -1.044011 -0.641211 4C 1pz -0.050964 -0.029837 -0.059336 0.082884 -0.035048 0.073001 4C 1px 0.027026 -0.008783 0.001069 0.069631 -0.044937 -0.170673 4C 1py -0.017364 0.031796 -0.046426 -0.170600 0.022882 -0.022019 4C 2pz -0.217881 0.025572 -1.679906 -0.825258 -0.478644 -0.751718 4C 2px 0.512432 -0.031679 -0.391195 -0.094933 0.301792 0.415015 4C 2py 0.056318 -0.007160 -1.119442 -0.247384 -0.241817 -0.294350 4C 3pz -2.823125 -0.056410 0.629680 -1.016825 -0.885609 -0.806813 4C 3px 0.066716 -0.167498 -0.262433 0.206888 -0.216808 0.195845 4C 3py -1.716722 0.146259 0.426459 -1.064311 -0.554887 -0.244399 4C 1dz2 0.004815 0.011760 -0.002965 0.002349 -0.001065 0.003396 4C 1dxz 0.009350 0.004522 -0.001569 0.008484 0.002386 0.014657 4C 1dyz 0.015001 -0.007148 -0.009917 -0.001028 -0.004571 -0.008187 4C 1dx2y2 -0.001395 0.010927 -0.007142 -0.019639 -0.002344 -0.008701 4C 1dxy -0.004808 0.001032 -0.007035 -0.008275 -0.005077 -0.000357 4C 2dz2 -0.179828 0.112833 0.862169 0.172549 0.143004 0.411576 4C 2dxz 0.371759 0.057845 0.871378 0.314438 0.457511 -0.057472 4C 2dyz 0.141725 -0.029991 0.669112 0.044018 0.078830 -0.015267 4C 2dx2y2 0.096519 0.054871 -1.173152 -0.555587 -0.389726 -0.422012 4C 2dxy 0.197110 0.029809 -0.248399 -0.211964 -0.123920 -0.409648 4C 1f0 0.002789 -0.007729 0.004137 0.034010 0.006741 0.014880 4C 1f+1 -0.002182 -0.006691 0.023107 0.047555 0.018621 0.041936 4C 1f-1 -0.008450 -0.001164 -0.055173 -0.011254 -0.007869 -0.017155 4C 1f+2 -0.009057 0.002423 0.003618 -0.043761 -0.019926 -0.030892 4C 1f-2 0.000339 0.000126 -0.016798 -0.011704 0.002958 0.005276 4C 1f+3 -0.017133 0.004028 -0.009868 -0.018094 -0.010722 -0.008708 4C 1f-3 -0.013228 -0.001994 0.027008 0.036319 0.010909 0.032263 5C 1s 0.009539 -0.001187 0.000696 0.023406 -0.011277 -0.023973 5C 2s 0.029936 -0.002777 0.002314 0.073365 -0.036218 -0.074173 5C 3s -0.293301 -0.054472 -0.025698 -0.956337 0.372278 0.875525 5C 4s 0.918892 -0.302442 0.103803 2.819852 -1.041557 -2.549345 5C 5s 0.038442 0.968686 -0.234553 1.717431 1.258655 -0.558835 5C 1pz 0.024463 0.062710 0.029906 -0.167544 0.061284 -0.165911 5C 1px 0.030364 0.020007 -0.026436 -0.032820 -0.363828 0.133805 5C 1py -0.058979 -0.037160 0.018955 -0.148250 -0.113695 -0.084207 5C 2pz 0.044222 0.942334 -0.053071 0.677433 -0.395469 0.094677 5C 2px 0.438517 0.630117 0.025535 0.503061 1.243292 -0.584358 5C 2py -0.185057 -1.701581 0.079183 -0.598847 0.392879 0.473888 5C 3pz 1.547727 -0.530576 0.171286 -0.411262 -0.145816 -0.350224 5C 3px 1.145781 -0.042219 0.065280 0.621419 1.434051 -0.595631 5C 3py -2.657795 0.530402 0.055767 -0.633954 -0.344226 0.220070 5C 1dz2 -0.007916 -0.008793 -0.012505 -0.013417 -0.004609 0.009458 5C 1dxz 0.005952 -0.003133 -0.005229 -0.011793 0.009682 0.003951 5C 1dyz 0.009596 -0.008764 0.008103 -0.005793 -0.001495 0.003544 5C 1dx2y2 0.011672 -0.000840 -0.007696 0.016817 -0.004931 -0.018362 5C 1dxy 0.014392 -0.006850 -0.001727 0.004739 -0.010531 0.002217 5C 2dz2 -0.184333 -0.365608 -0.064247 -0.239290 0.115629 0.040679 5C 2dxz 0.138940 -0.857928 -0.022615 -0.346186 -0.294824 0.271840 5C 2dyz 0.175540 0.347525 0.005451 -0.071983 -0.265753 0.221052 5C 2dx2y2 0.317125 1.361440 -0.161906 0.566549 -0.196333 -0.019075 5C 2dxy 0.048756 0.710478 0.019775 0.231420 0.583932 -0.324105 5C 1f0 -0.007601 -0.048031 0.000264 -0.029314 0.024709 0.018325 5C 1f+1 -0.010883 -0.022723 0.001938 -0.047882 -0.005647 0.029053 5C 1f-1 0.003176 -0.006482 -0.003797 0.000418 0.012990 -0.004037 5C 1f+2 -0.009038 -0.035685 0.003638 -0.016258 0.000500 0.002487 5C 1f-2 -0.007307 -0.007663 -0.001415 0.027787 -0.032469 -0.015995 5C 1f+3 -0.013961 0.005655 -0.000619 -0.047560 -0.006854 0.026967 5C 1f-3 0.005330 0.016749 0.003981 0.037002 -0.006916 -0.039823 6C 1s 0.009219 0.001213 -0.000712 -0.023493 -0.011414 0.023761 6C 2s 0.028932 0.002867 -0.002343 -0.073669 -0.036666 0.073455 6C 3s -0.280154 0.052892 0.024488 0.958437 0.377628 -0.866771 6C 4s 0.876321 0.311349 -0.098930 -2.825244 -1.057336 2.524693 6C 5s -0.016995 -0.963953 0.249866 -1.687941 1.262986 0.596154 6C 1pz -0.031130 0.062522 0.030280 -0.171704 -0.049590 -0.169674 6C 1px -0.030917 0.018793 -0.025164 -0.023953 0.358420 0.144015 6C 1py 0.051851 -0.037035 0.020782 -0.147989 0.118644 -0.082520 6C 2pz -0.036050 0.942509 -0.053790 0.684425 0.377660 0.107423 6C 2px -0.432522 0.624577 0.015198 0.481498 -1.230291 -0.606330 6C 2py 0.186217 -1.698996 0.080200 -0.599340 -0.400214 0.461801 6C 3pz -1.558276 -0.547874 0.146481 -0.387062 0.173265 -0.343186 6C 3px -1.143508 -0.046133 0.045987 0.606098 -1.414130 -0.636761 6C 3py 2.613485 0.561825 0.092746 -0.660466 0.337199 0.226413 6C 1dz2 -0.007993 0.008779 0.012451 0.013356 -0.004639 -0.009798 6C 1dxz 0.006138 0.003096 0.005381 0.011796 0.009555 -0.003600 6C 1dyz 0.009658 0.008813 -0.008124 0.005682 -0.001481 -0.003437 6C 1dx2y2 0.011135 0.000885 0.007778 -0.016922 -0.005216 0.018197 6C 1dxy 0.014239 0.006983 0.001775 -0.005173 -0.010389 -0.002334 6C 2dz2 -0.184523 0.362360 0.060323 0.244778 0.110462 -0.034333 6C 2dxz 0.138311 0.860032 0.019993 0.334029 -0.283916 -0.278389 6C 2dyz 0.177357 -0.344162 -0.005836 0.062491 -0.256025 -0.232491 6C 2dx2y2 0.308718 -1.353574 0.169061 -0.575349 -0.185143 0.004005 6C 2dxy 0.051279 -0.714080 -0.016981 -0.212077 0.563906 0.348083 6C 1f0 0.007163 -0.048051 0.000307 -0.029564 -0.024861 0.017753 6C 1f+1 0.010042 -0.022583 0.002197 -0.047581 0.005617 0.028805 6C 1f-1 -0.002905 -0.006522 -0.003914 0.000282 -0.012794 -0.004334 6C 1f+2 0.009341 -0.035660 0.003774 -0.016280 -0.000245 0.002253 6C 1f-2 0.007901 -0.007548 -0.001299 0.028181 0.032272 -0.015217 6C 1f+3 0.013376 0.005839 -0.000385 -0.047453 0.007054 0.026991 6C 1f-3 -0.004685 0.016703 0.003892 0.036674 0.007699 -0.039688 7C 1s -0.007087 -0.002910 -0.000656 0.021419 -0.003196 0.021520 7C 2s -0.021746 -0.009241 -0.001042 0.068161 -0.010705 0.067711 7C 3s 0.143671 0.114019 -0.075010 -0.918306 0.268505 -0.837101 7C 4s -0.505280 -0.349677 -0.238323 2.769068 -0.938087 2.289809 7C 5s 0.167393 0.183001 1.091788 1.157161 -1.106374 0.632754 7C 1pz 0.049902 -0.029068 -0.057740 0.078823 0.035678 0.066212 7C 1px -0.025523 -0.007876 0.001281 0.072565 0.046576 -0.160212 7C 1py 0.010855 0.031900 -0.048363 -0.165842 -0.024321 -0.013467 7C 2pz 0.213312 0.024066 -1.676239 -0.811039 0.520528 -0.715566 7C 2px -0.523954 -0.037596 -0.393965 -0.094303 -0.301054 0.358868 7C 2py -0.058945 -0.009881 -1.123792 -0.250431 0.273553 -0.309415 7C 3pz 2.750409 -0.032707 0.674866 -1.020389 0.928979 -0.755747 7C 3px -0.078762 -0.166053 -0.263587 0.199493 0.225609 0.155690 7C 3py 1.649794 0.160248 0.440609 -1.069006 0.580822 -0.224129 7C 1dz2 0.004539 -0.011828 0.002927 -0.002342 -0.000957 -0.003266 7C 1dxz 0.009010 -0.004459 0.001588 -0.008440 0.002943 -0.014256 7C 1dyz 0.014585 0.007172 0.010037 0.000653 -0.004887 0.007959 7C 1dx2y2 -0.000613 -0.010851 0.007094 0.019692 -0.003301 0.008715 7C 1dxy -0.004560 -0.001112 0.007123 0.008367 -0.005466 0.000489 7C 2dz2 -0.179856 -0.113398 -0.859217 -0.161142 0.156556 -0.398694 7C 2dxz 0.368919 -0.055910 -0.863887 -0.320271 0.479171 0.056865 7C 2dyz 0.140458 0.030101 -0.670146 -0.044550 0.081188 0.017857 7C 2dx2y2 0.107515 -0.053556 1.175966 0.545353 -0.421663 0.409851 7C 2dxy 0.205767 -0.030518 0.249971 0.199529 -0.134344 0.400271 7C 1f0 -0.002057 -0.007636 0.004552 0.033928 -0.008180 0.014689 7C 1f+1 0.004055 -0.006595 0.023377 0.046963 -0.021071 0.041622 7C 1f-1 0.008950 -0.001209 -0.055234 -0.011101 0.008849 -0.016373 7C 1f+2 0.008078 0.002427 0.004054 -0.043294 0.021861 -0.029585 7C 1f-2 -0.000404 0.000077 -0.016686 -0.011719 -0.002581 0.004556 7C 1f+3 0.017233 0.004172 -0.009760 -0.018330 0.011542 -0.007856 7C 1f-3 0.014644 -0.001765 0.027023 0.035870 -0.013252 0.033075 8C 1s 0.002110 -0.024398 0.000335 -0.016182 -0.002809 0.018644 8C 2s 0.010003 -0.081865 0.001136 -0.053223 -0.010580 0.058932 8C 3s -0.185945 1.111450 -0.039061 0.558019 0.046699 -0.556481 8C 4s 0.836777 -3.862832 0.210783 -1.600294 0.167141 1.298782 8C 5s 1.961019 2.638476 -0.283733 2.033750 -0.105389 -1.486771 8C 1pz -0.014644 0.031748 -0.057016 0.025853 -0.060425 -0.093888 8C 1px -0.036645 -0.033702 -0.029831 -0.037564 0.258124 0.119859 8C 1py 0.062855 0.028427 -0.036622 -0.042510 0.100396 0.054742 8C 2pz -0.144015 0.832916 0.100601 0.075540 -0.011066 0.241482 8C 2px -0.082596 0.441581 0.035817 0.191061 -0.499067 -0.176040 8C 2py 0.106352 -1.275665 0.164537 -0.094557 -0.143593 -0.203554 8C 3pz -0.303636 0.477896 -0.109168 0.353587 -0.149485 -0.075102 8C 3px -0.421094 -0.295179 -0.019030 -0.166603 0.422593 0.147035 8C 3py 0.626615 0.029933 -0.089325 0.034819 0.052234 0.209280 8C 1dz2 0.000433 0.003029 -0.004381 -0.003221 -0.011251 -0.008914 8C 1dxz -0.003245 0.002561 -0.001799 0.005234 0.008010 -0.000492 8C 1dyz 0.007722 -0.004606 0.000742 -0.003786 0.007366 0.011671 8C 1dx2y2 0.004452 -0.003376 -0.001719 -0.012415 0.016345 0.014117 8C 1dxy 0.008824 -0.000650 0.003260 -0.006931 -0.031850 -0.011049 8C 2dz2 -0.007546 0.006079 0.021273 -0.049978 0.162598 0.068981 8C 2dxz 0.009688 -0.338692 0.115242 0.028738 -0.447426 -0.245740 8C 2dyz 0.004841 0.390082 -0.098037 0.148861 -0.209794 -0.129581 8C 2dx2y2 -0.028775 0.521535 0.099641 0.117875 -0.198955 -0.035751 8C 2dxy -0.115396 0.382737 0.001879 0.045941 0.266116 0.204495 8C 1f0 0.000855 -0.032727 -0.004549 0.011628 0.012887 -0.019118 8C 1f+1 -0.002366 -0.012595 0.003187 -0.000449 -0.020661 -0.018636 8C 1f-1 -0.009946 0.008133 -0.000819 0.017894 -0.005572 -0.006508 8C 1f+2 0.003593 -0.045670 0.002974 -0.007797 0.019545 0.018276 8C 1f-2 0.007002 -0.025237 0.002611 -0.004166 0.003901 0.008487 8C 1f+3 0.004061 0.016062 -0.008180 -0.008605 0.014516 0.015862 8C 1f-3 -0.004944 0.006041 -0.000006 0.005046 0.028457 0.005566 9C 1s 0.002400 -0.000705 0.025058 0.012926 -0.008825 0.014129 9C 2s 0.004837 -0.002457 0.084111 0.043270 -0.028240 0.045950 9C 3s 0.026635 -0.002247 -1.136120 -0.401820 0.320438 -0.420716 9C 4s -0.339868 0.106063 3.933239 1.014068 -1.036528 1.001631 9C 5s -2.494488 -0.174057 -2.823415 -0.290068 0.165035 -0.723713 9C 1pz 0.074867 0.025857 0.001980 0.016682 0.017669 0.100644 9C 1px -0.038975 0.029276 0.070121 -0.009827 -0.025731 -0.079161 9C 1py 0.005428 -0.062838 0.004198 0.015360 -0.010442 -0.069596 9C 2pz -0.008018 -0.122483 -1.279684 -0.163616 0.158523 -0.279111 9C 2px 0.128539 -0.084712 -0.224278 0.100832 0.016988 0.117378 9C 2py 0.113117 0.127082 -0.901351 -0.131401 0.213252 0.144786 9C 3pz 0.597900 0.074024 -0.148744 -0.278204 0.161501 -0.022413 9C 3px 0.280878 0.098754 0.590289 -0.095509 -0.181116 -0.042166 9C 3py 0.416437 -0.089240 -0.136868 -0.039437 0.134554 -0.236695 9C 1dz2 0.007573 0.003439 -0.004229 -0.005506 0.000320 0.006715 9C 1dxz -0.000689 0.000502 0.000810 -0.002158 0.000792 -0.018286 9C 1dyz 0.006662 -0.001950 -0.004614 -0.007144 0.003473 -0.005058 9C 1dx2y2 -0.005573 0.002151 0.004961 0.004396 -0.004195 -0.000904 9C 1dxy -0.003864 0.002643 0.002241 -0.000322 0.001194 -0.009844 9C 2dz2 -0.073280 -0.064842 0.423389 0.100957 -0.073434 -0.096089 9C 2dxz 0.179334 -0.121020 0.301683 0.195467 -0.080615 0.217472 9C 2dyz -0.079381 0.065970 0.527920 0.004508 -0.050501 0.004522 9C 2dx2y2 -0.121955 -0.081614 -0.365427 -0.063978 0.054930 -0.208012 9C 2dxy 0.129975 0.065397 0.033543 0.021244 0.067165 0.225482 9C 1f0 0.014815 0.000524 -0.005302 0.006666 0.007457 0.016988 9C 1f+1 -0.002966 -0.008001 0.002472 0.016876 -0.008890 -0.000131 9C 1f-1 -0.004966 -0.005054 -0.049264 0.012123 0.005458 0.008048 9C 1f+2 -0.010084 0.002322 0.018871 -0.004972 -0.003402 -0.009935 9C 1f-2 -0.004572 0.000630 -0.032912 0.000228 0.010689 -0.008390 9C 1f+3 -0.004170 0.005349 0.000731 0.008116 -0.003653 0.010320 9C 1f-3 0.006573 0.000517 0.016208 0.004304 -0.010296 0.016668 10H 1s -0.008536 -0.003611 0.061574 0.021642 0.010037 0.008423 10H 2s 0.308975 0.072114 -0.095062 -0.227038 0.003350 -0.300853 10H 3s 0.067684 -0.076966 -0.893702 -0.164525 -0.248782 -0.179252 10H 1pz 0.028367 0.014965 -0.022207 -0.018282 -0.004700 -0.041138 10H 1px -0.028476 -0.006584 -0.055057 0.001308 -0.022177 0.018589 10H 1py -0.000417 -0.002952 -0.007177 -0.000456 -0.003417 -0.042935 11H 1s -0.001284 -0.002142 -0.007338 0.006728 -0.015196 0.016302 11H 2s -0.036036 -0.210368 0.391050 0.219858 0.216833 0.003105 11H 3s 0.029904 0.096170 -0.317644 -0.275075 -0.060471 -0.139543 11H 1pz 0.005788 -0.027839 0.052020 0.019551 0.031805 -0.001006 11H 1px 0.005629 -0.007562 0.027326 0.008198 0.017099 0.027354 11H 1py 0.006763 0.014514 -0.035344 -0.020909 -0.006351 0.017776 12H 1s -0.003047 -0.007928 0.017852 0.018658 0.003520 0.014523 12H 2s -0.199201 0.156384 0.218230 0.079982 -0.013265 0.447761 12H 3s 0.085562 -0.086362 -0.462573 -0.228096 -0.069900 -0.429733 12H 1pz 0.019943 0.002307 -0.032041 -0.005177 -0.000846 -0.019067 12H 1px -0.009323 -0.003771 -0.013358 0.014547 -0.015496 -0.007139 12H 1py -0.018928 0.034248 0.047441 0.013152 0.014427 0.096286 13H 1s 0.008247 -0.059595 -0.003001 0.001657 -0.000917 0.004633 13H 2s -0.019990 0.128841 0.009266 -0.235205 -0.589136 0.527308 13H 3s -0.084691 0.790292 -0.075455 0.710972 0.322484 -0.585100 13H 1pz -0.011278 -0.018651 -0.003970 -0.047945 -0.152582 0.106173 13H 1px 0.006458 0.035783 -0.006119 0.030764 0.030052 -0.047210 13H 1py 0.003406 -0.039377 -0.007170 0.016896 0.026389 -0.046738 14H 1s -0.003999 -0.028335 -0.004670 0.001728 0.020499 -0.002586 14H 2s 0.019217 -0.190717 0.189112 0.072212 0.560181 -0.025297 14H 3s 0.173029 0.524902 -0.137188 0.415970 -0.219717 -0.317557 14H 1pz -0.006670 -0.043117 0.034955 -0.013764 0.112929 -0.016909 14H 1px -0.007929 -0.017272 0.020045 -0.014960 0.047007 0.033660 14H 1py 0.014785 -0.046106 -0.000156 0.005549 0.030582 -0.018952 15H 1s 0.006145 0.013784 -0.000924 -0.011247 0.023427 -0.002505 15H 2s -0.101799 -0.446652 -0.182625 -0.093541 -0.022756 0.037645 15H 3s 0.127103 0.267242 0.062381 0.329520 -0.016092 -0.365899 15H 1pz 0.002728 0.035619 0.009624 0.015272 -0.017204 -0.006359 15H 1px 0.001145 -0.007874 0.006917 0.001844 0.090951 -0.031699 15H 1py 0.037219 0.061815 0.025478 0.053780 0.046755 -0.034939 16H 1s -0.007339 0.012488 0.017724 -0.031903 0.029251 -0.054477 16H 2s -0.195755 0.002964 -0.039165 -0.039842 -0.039182 0.256149 16H 3s 0.077834 0.023274 0.055145 -0.006129 0.072794 -0.110680 16H 1pz 0.034882 0.002177 -0.027646 0.008455 0.005327 0.035215 16H 1px -0.199418 0.003648 0.037970 0.037880 -0.001234 -0.091285 16H 1py -0.112664 -0.031219 -0.007771 0.055113 -0.087752 0.029538 17H 1s 0.002645 0.010444 0.006395 -0.039021 -0.022531 0.059672 17H 2s 0.001850 0.023654 -0.004155 0.002785 0.268336 -0.233288 17H 3s -0.104539 0.018889 0.006461 -0.008232 0.054435 0.123346 17H 1pz -0.017341 0.000903 -0.000859 -0.029642 -0.000571 -0.043197 17H 1px 0.140980 0.027128 -0.005140 0.047484 0.014308 0.095863 17H 1py 0.152528 -0.009289 -0.013708 0.085680 0.018891 -0.042078 18H 1s 0.002131 -0.010236 -0.007255 0.038470 -0.022572 -0.060056 18H 2s 0.002212 -0.024475 0.008971 -0.001343 0.265284 0.232742 18H 3s -0.107249 -0.020175 -0.008247 0.010104 0.054508 -0.121613 18H 1pz 0.019356 0.001870 0.000549 -0.030670 0.001388 -0.044656 18H 1px -0.141053 0.025171 -0.005777 0.046960 -0.014519 0.096541 18H 1py -0.157000 -0.010220 -0.014764 0.086441 -0.018995 -0.044311 19H 1s -0.008355 -0.011865 -0.017753 0.033239 0.024819 0.055398 19H 2s -0.198871 -0.007275 0.038878 0.035444 -0.020775 -0.267305 19H 3s 0.074307 -0.022112 -0.054133 0.007376 0.065794 0.109855 19H 1pz -0.036908 0.003279 -0.027735 0.008492 -0.010185 0.034089 19H 1px 0.206003 0.004489 0.040292 0.035992 0.003415 -0.086651 19H 1py 0.112884 -0.030649 -0.006788 0.055141 0.085133 0.032022 20H 1s 0.006449 -0.013245 0.001182 0.011515 0.023429 0.003496 20H 2s -0.113388 0.442133 0.177974 0.096860 -0.024097 -0.037106 20H 3s 0.125387 -0.267791 -0.060231 -0.330140 -0.014628 0.366225 20H 1pz -0.003620 0.035711 0.009733 0.015816 0.016099 -0.006740 20H 1px -0.002052 -0.007649 0.006753 -0.000730 -0.087673 -0.033468 20H 1py -0.037824 0.060849 0.024670 0.053316 -0.047244 -0.036411 21H 1s -0.004765 0.027726 0.004650 -0.001377 0.020746 0.003077 21H 2s 0.027038 0.192614 -0.187922 -0.060472 0.552436 0.041761 21H 3s 0.160382 -0.518302 0.136795 -0.416687 -0.215347 0.313702 21H 1pz 0.004631 -0.043148 0.035193 -0.016822 -0.109168 -0.019745 21H 1px 0.006999 -0.016758 0.019566 -0.015238 -0.046233 0.032579 21H 1py -0.014690 -0.045738 -0.000150 0.005180 -0.030393 -0.020204 22H 1s 0.007428 0.060029 0.002778 -0.001818 -0.000137 -0.004214 22H 2s -0.018510 -0.129488 -0.008553 0.217212 -0.582082 -0.549907 22H 3s -0.092513 -0.794969 0.075665 -0.698100 0.325292 0.596194 22H 1pz 0.011190 -0.018198 -0.003826 -0.043372 0.148602 0.110098 22H 1px -0.006099 0.036408 -0.006388 0.030342 -0.031503 -0.048976 22H 1py -0.002121 -0.038962 -0.007039 0.016434 -0.027316 -0.049072 23H 1s -0.003115 0.007888 -0.016910 -0.017896 0.003713 -0.013783 23H 2s -0.187343 -0.161035 -0.228773 -0.067676 0.001546 -0.424281 23H 3s 0.079018 0.086825 0.458032 0.222280 -0.090321 0.422493 23H 1pz -0.019299 0.001794 -0.031401 -0.004029 0.001479 -0.017787 23H 1px 0.009056 -0.004289 -0.013006 0.015693 0.015259 -0.005858 23H 1py 0.017429 0.034867 0.048193 0.010897 -0.016649 0.090242 24H 1s -0.001697 0.001814 0.006306 -0.006505 -0.014493 -0.016469 24H 2s -0.041455 0.211749 -0.386169 -0.223026 0.226959 -0.010082 24H 3s 0.038578 -0.097643 0.324053 0.284582 -0.078771 0.153151 24H 1pz -0.004960 -0.028568 0.051041 0.021534 -0.033237 0.002117 24H 1px -0.005901 -0.007884 0.026920 0.008002 -0.018530 0.025038 24H 1py -0.007228 0.014742 -0.035990 -0.022283 0.007116 0.014948 25H 1s -0.008320 0.003314 -0.062140 -0.020944 0.011486 -0.008202 25H 2s 0.313282 -0.069317 0.101770 0.213615 -0.007548 0.283848 25H 3s 0.066006 0.075523 0.898588 0.169832 -0.270499 0.186306 25H 1pz -0.028338 0.014730 -0.021866 -0.016855 0.004961 -0.039579 25H 1px 0.028903 -0.006135 -0.054653 -0.000342 0.022662 0.016264 25H 1py 0.001029 -0.003402 -0.008779 0.001127 0.004202 -0.038811 26O 1s 0.010223 0.000289 -0.005707 -0.002128 0.000541 -0.009472 26O 2s 0.021283 0.000687 -0.007144 -0.003213 0.001767 -0.023233 26O 3s 0.063364 0.001714 -0.141206 -0.059523 -0.017255 0.003912 26O 4s -1.019028 -0.025022 1.052872 0.385944 0.068299 0.475046 26O 5s 2.381776 0.046872 0.387306 1.254994 0.832515 0.848886 26O 1pz -0.034714 -0.020761 -0.056841 0.007661 -0.026945 0.060368 26O 1px 0.027803 -0.016432 -0.021578 0.038403 -0.019114 -0.019890 26O 1py 0.006067 0.018619 -0.045596 -0.001909 -0.000223 0.032637 26O 2pz -0.053194 -0.018561 -0.076559 -0.025942 -0.068421 0.013231 26O 2px 0.150590 0.000384 -0.336334 -0.254139 -0.090362 -0.329350 26O 2py 0.023078 0.034397 -0.169234 -0.175651 -0.057885 -0.110510 26O 3pz 0.867963 0.035230 -0.685831 -0.121555 -0.103794 0.307043 26O 3px -0.032542 0.106350 -0.328539 -0.927510 -0.265000 -0.088865 26O 3py 0.756377 -0.126013 -0.571790 -0.198867 -0.101840 0.147402 26O 1dz2 -0.005725 0.000800 0.001581 -0.000401 -0.000503 0.000501 26O 1dxz -0.004261 -0.001551 -0.011926 0.001344 -0.003585 0.001988 26O 1dyz -0.007754 -0.001231 -0.005105 0.000992 -0.000295 -0.002769 26O 1dx2y2 0.002141 0.000023 0.002714 -0.001353 -0.001032 -0.000372 26O 1dxy 0.000975 0.000638 -0.007740 -0.002343 -0.000733 0.000169 26O 2dz2 0.090154 -0.010747 0.053533 0.014976 0.023889 -0.081384 26O 2dxz -0.033839 0.004800 0.017387 0.011834 0.027529 0.050713 26O 2dyz -0.033563 0.026877 0.170189 -0.077142 -0.023327 -0.023326 26O 2dx2y2 -0.044805 -0.004140 0.032748 0.125935 0.006879 -0.023253 26O 2dxy -0.040729 -0.015673 0.085327 0.043630 0.017738 -0.020758 26O 1f0 0.000749 0.000690 0.004245 0.002024 0.002823 -0.000626 26O 1f+1 -0.000475 -0.000192 0.005293 0.006118 0.001438 0.004146 26O 1f-1 0.002879 0.000137 0.009241 0.005648 0.000943 0.004238 26O 1f+2 -0.001772 0.000217 -0.009340 0.001136 -0.000981 -0.001983 26O 1f-2 0.000258 0.000670 0.002638 -0.000991 0.000282 0.002215 26O 1f+3 -0.001055 -0.000902 -0.000494 0.000088 -0.000523 0.001770 26O 1f-3 -0.000713 -0.000387 0.003513 0.008495 -0.000183 0.003595 27O 1s 0.002837 0.006811 -0.001285 0.000922 -0.005469 0.012139 27O 2s 0.007469 0.009831 -0.003287 0.000619 -0.013974 0.032260 27O 3s -0.010650 0.136808 0.005263 0.064669 0.027832 -0.105227 27O 4s 0.015691 -1.087100 0.049026 -0.353111 0.277517 -0.151766 27O 5s -1.885450 -0.239656 0.038522 -1.688589 -1.403320 1.702010 27O 1pz -0.043488 0.035159 0.029876 -0.033400 -0.000742 -0.036735 27O 1px -0.007586 0.026837 -0.006917 -0.002274 -0.064184 0.025799 27O 1py 0.022026 -0.054459 0.013525 0.001200 -0.025051 0.040248 27O 2pz -0.005939 -0.000210 0.032057 -0.040230 -0.005201 -0.057014 27O 2px 0.184214 0.352124 -0.021571 0.369333 -0.097917 -0.206193 27O 2py -0.039778 -0.100079 0.020497 -0.148256 -0.008307 0.115136 27O 3pz -0.557979 0.397151 -0.119525 0.347956 0.479475 -0.045862 27O 3px 0.624879 0.477753 0.030652 0.829116 1.107146 -0.820101 27O 3py 0.058786 -0.677676 -0.086478 -0.356548 -0.927948 0.297801 27O 1dz2 -0.002512 -0.003303 -0.000723 -0.001485 -0.002340 0.001443 27O 1dxz -0.002192 0.007645 0.000609 0.001536 0.004047 -0.001230 27O 1dyz -0.002037 -0.001067 0.000088 0.002207 -0.001767 -0.003327 27O 1dx2y2 0.000104 0.000122 -0.000505 0.003717 -0.003081 -0.002579 27O 1dxy -0.006845 -0.011918 0.001547 -0.007042 -0.009546 0.000115 27O 2dz2 0.081349 0.083269 0.015319 -0.015399 0.120161 -0.080778 27O 2dxz -0.000753 0.003955 -0.007644 -0.058574 0.035706 0.000796 27O 2dyz -0.072399 0.174712 -0.003388 -0.099944 0.052890 0.085348 27O 2dx2y2 -0.030322 0.023179 -0.002364 -0.173897 -0.074013 0.124067 27O 2dxy -0.026818 0.079000 -0.017416 0.084577 -0.007201 -0.036028 27O 1f0 0.000842 0.003179 0.000121 0.001362 0.000548 0.001191 27O 1f+1 -0.002624 -0.001723 -0.000480 -0.009280 -0.007131 0.011024 27O 1f-1 0.000289 0.001629 0.001241 0.002514 0.002631 -0.000926 27O 1f+2 -0.001032 0.008467 -0.000835 -0.005073 0.000834 0.000440 27O 1f-2 -0.001121 0.007740 -0.000251 0.006280 0.003100 0.000127 27O 1f+3 -0.004144 -0.006152 0.000101 -0.009450 -0.005945 0.011805 27O 1f-3 0.001101 0.006781 0.000558 0.008769 0.009423 -0.008269 28O 1s -0.005165 -0.000460 -0.009452 -0.000328 -0.002685 0.010745 28O 2s -0.013674 -0.001188 -0.016540 0.000429 -0.005244 0.029866 28O 3s 0.027080 0.005717 -0.126931 -0.056674 -0.039590 -0.124826 28O 4s 0.048104 -0.001496 1.195890 0.284067 0.354313 0.031947 28O 5s 1.575839 -0.091759 -0.103710 1.735096 1.203272 1.660108 28O 1pz 0.057678 -0.024899 -0.058800 0.014786 -0.001009 -0.033431 28O 1px 0.032094 -0.012096 -0.006391 0.015900 0.027978 -0.060529 28O 1py 0.028472 0.025813 -0.035812 -0.005775 -0.008417 -0.027113 28O 2pz -0.065872 -0.003443 -0.237601 -0.257391 -0.212129 -0.236947 28O 2px 0.139082 -0.033235 0.279357 0.279416 0.221342 0.133075 28O 2py 0.010667 0.043357 -0.035114 -0.113599 -0.044700 -0.069349 28O 3pz -0.326672 0.113589 -0.813705 -0.647394 -0.379586 -0.798673 28O 3px 0.859457 0.043939 0.046466 0.459627 0.365599 0.624497 28O 3py -0.077563 -0.120255 -0.502071 0.001976 -0.172278 -0.302110 28O 1dz2 0.000505 -0.000524 -0.009104 -0.002800 -0.000450 -0.001400 28O 1dxz 0.003688 0.000498 0.005790 0.004370 0.004179 0.003902 28O 1dyz -0.003132 0.000411 -0.006265 -0.000899 -0.001240 0.001269 28O 1dx2y2 -0.002877 0.000934 0.003849 -0.001616 0.000145 0.001580 28O 1dxy 0.001953 -0.001664 0.005764 0.004719 0.002134 0.002100 28O 2dz2 -0.042469 -0.002494 0.064747 0.095935 -0.038970 -0.009755 28O 2dxz -0.079845 0.014756 -0.021193 -0.125617 -0.113250 -0.155730 28O 2dyz -0.056493 0.015706 0.167121 -0.128647 0.028635 -0.017663 28O 2dx2y2 -0.003473 -0.007822 0.036738 0.054364 0.025703 0.043271 28O 2dxy -0.005664 0.027751 0.060526 -0.124862 -0.006565 -0.052540 28O 1f0 0.001461 -0.000868 0.002185 0.008975 0.000670 0.004547 28O 1f+1 -0.000367 -0.000743 0.005572 0.005615 0.003528 0.009766 28O 1f-1 -0.002059 0.000755 0.010549 -0.000413 -0.000115 -0.000991 28O 1f+2 -0.002434 0.001649 -0.006436 -0.009321 -0.006158 -0.013831 28O 1f-2 -0.000865 0.000535 0.003856 0.002206 -0.000305 0.003201 28O 1f+3 -0.003453 0.000454 0.002322 -0.005053 -0.002151 -0.005332 28O 1f-3 -0.001860 -0.000395 0.004088 0.006107 0.001260 0.005225 29O 1s 0.000158 0.000214 0.000313 -0.000697 -0.000406 0.000287 29O 2s -0.000091 0.001045 0.001237 -0.002077 0.000082 0.000810 29O 3s 0.009553 -0.013644 -0.013491 0.013464 -0.022846 -0.003648 29O 4s -0.069591 0.035702 0.027173 0.033212 0.145214 0.001429 29O 5s 0.223147 0.027463 0.058346 -0.427417 -0.382931 0.014422 29O 1pz 0.003127 -0.010925 0.019013 -0.000398 -0.012831 0.005834 29O 1px 0.005480 -0.009202 0.000656 0.006819 0.013082 0.000207 29O 1py -0.001675 0.022608 0.014945 -0.002338 0.030361 -0.001152 29O 2pz 0.027791 0.001160 -0.030879 0.001173 -0.040310 0.139544 29O 2px 0.016220 0.008368 0.003446 -0.007289 -0.015409 0.055109 29O 2py 0.009523 -0.019056 -0.018861 0.039692 -0.013968 -0.019249 29O 3pz -0.365478 0.028729 0.028536 -0.091561 -0.097238 -0.038794 29O 3px -0.074099 -0.064603 -0.067045 0.178374 -0.083907 -0.043910 29O 3py -0.128818 0.021064 0.002207 -0.063419 0.176768 0.036425 29O 1dz2 -0.002534 -0.000220 0.000232 -0.002508 -0.000971 -0.001876 29O 1dxz 0.006325 0.000489 -0.000963 -0.002503 0.000706 0.002437 29O 1dyz 0.002676 0.001214 -0.000568 -0.000757 0.001285 0.001256 29O 1dx2y2 0.002665 -0.000110 -0.000465 0.005227 0.000215 0.000975 29O 1dxy 0.001915 -0.000872 -0.000889 0.003362 -0.000666 -0.000248 29O 2dz2 -0.081314 -0.000301 -0.006679 0.059188 0.001428 -0.098795 29O 2dxz 0.212009 -0.010020 0.032355 -0.027752 -0.043984 0.094197 29O 2dyz 0.124925 -0.009121 0.016282 0.018104 0.054080 -0.105843 29O 2dx2y2 0.097913 -0.047523 -0.015611 0.152150 -0.069497 0.021056 29O 2dxy 0.065126 0.033135 0.017324 -0.080707 0.086232 -0.054632 29O 1f0 -0.000516 -0.002341 -0.001521 0.006656 -0.002244 0.000105 29O 1f+1 0.000232 0.000520 0.001616 -0.004139 0.000095 0.001000 29O 1f-1 0.000074 -0.001409 -0.001832 0.002360 -0.002559 0.004336 29O 1f+2 -0.001524 0.001283 0.000739 -0.005365 0.002295 -0.001750 29O 1f-2 0.000745 -0.000036 -0.000361 0.002506 0.002830 -0.006557 29O 1f+3 -0.000422 0.000187 0.000572 -0.005111 -0.000916 0.002171 29O 1f-3 -0.000870 0.001604 0.001158 -0.001955 -0.000416 0.003147 30O 1s -0.006110 0.007814 0.000384 0.003920 0.006505 -0.007913 30O 2s -0.012344 0.012406 0.001437 0.007307 0.018143 -0.020467 30O 3s -0.041710 0.134432 -0.010502 0.062207 -0.066251 0.023263 30O 4s 0.676287 -1.150821 0.027892 -0.504665 -0.221642 0.272488 30O 5s -2.435186 0.013861 0.014860 -0.883723 0.963284 0.828531 30O 1pz 0.015803 0.041050 0.023623 -0.026477 0.059892 0.021833 30O 1px 0.020557 0.011645 -0.006756 0.024537 -0.085215 0.042226 30O 1py 0.010337 -0.062363 0.029487 0.000911 -0.046208 -0.053074 30O 2pz 0.017311 0.193260 0.035740 0.118499 0.053172 -0.129577 30O 2px 0.042727 -0.253022 0.000442 -0.212764 -0.038186 0.226727 30O 2py -0.055348 -0.207812 0.025527 -0.195452 -0.057160 0.084051 30O 3pz -0.023753 0.504067 -0.201213 0.635421 -0.847989 0.103944 30O 3px -0.536959 0.163791 -0.010002 -0.605003 0.438593 0.319437 30O 3py 0.810119 -0.753755 0.019155 -0.403794 1.112835 -0.207593 30O 1dz2 0.002875 0.003247 0.000608 -0.000761 0.000221 0.001230 30O 1dxz 0.000046 -0.001756 -0.001498 0.000010 -0.001576 0.001338 30O 1dyz -0.007430 -0.008661 0.000625 -0.001164 0.007971 0.000790 30O 1dx2y2 -0.004805 -0.010175 0.000641 0.001678 0.008888 -0.002306 30O 1dxy -0.005192 0.005120 -0.001154 0.001957 0.000860 0.002710 30O 2dz2 -0.043501 0.059396 -0.017078 -0.029412 -0.043561 0.023168 30O 2dxz -0.082609 0.015548 0.011199 0.021657 -0.133194 -0.044944 30O 2dyz -0.016661 0.174183 -0.019825 0.038362 -0.053991 0.067663 30O 2dx2y2 -0.042327 0.038271 0.012109 -0.111174 0.031681 -0.025586 30O 2dxy -0.013598 0.043276 -0.001708 -0.083799 0.064182 0.075938 30O 1f0 0.000471 0.004893 -0.000051 -0.004390 0.006179 0.001074 30O 1f+1 0.000226 -0.003415 0.000380 0.002406 0.003918 0.001257 30O 1f-1 0.001005 0.001216 0.000749 0.002480 0.000134 0.001770 30O 1f+2 0.001366 0.006022 -0.000557 0.002249 -0.006399 -0.005794 30O 1f-2 0.001972 0.006923 -0.000948 0.008693 -0.015198 -0.004222 30O 1f+3 -0.002415 -0.008814 0.000968 -0.003336 0.006012 -0.000185 30O 1f-3 0.000546 0.005422 0.000256 0.005968 -0.010383 -0.004829 31O 1s -0.006216 -0.007935 -0.000406 -0.003658 0.006176 0.008203 31O 2s -0.012651 -0.012674 -0.001477 -0.006663 0.017305 0.021258 31O 3s -0.040846 -0.134810 0.010273 -0.062662 -0.065048 -0.025581 31O 4s 0.677072 1.161022 -0.025374 0.486648 -0.208429 -0.282132 31O 5s -2.419900 -0.044592 -0.037737 0.920253 0.962450 -0.805826 31O 1pz -0.017684 0.040943 0.023218 -0.027200 -0.059674 0.019777 31O 1px -0.020708 0.011118 -0.006623 0.027242 0.082434 0.045419 31O 1py -0.010046 -0.062338 0.029930 0.001821 0.047478 -0.053013 31O 2pz -0.019792 0.193659 0.034751 0.115133 -0.047992 -0.132654 31O 2px -0.043743 -0.254970 0.000669 -0.207800 0.030874 0.230901 31O 2py 0.051192 -0.207446 0.027155 -0.192936 0.055201 0.086196 31O 3pz 0.054199 0.503223 -0.200280 0.650333 0.825634 0.126010 31O 3px 0.529793 0.170361 -0.005486 -0.615575 -0.429715 0.308161 31O 3py -0.812240 -0.756819 0.012833 -0.417710 -1.090090 -0.244008 31O 1dz2 0.002873 -0.003223 -0.000587 0.000729 0.000208 -0.001159 31O 1dxz 0.000024 0.001790 0.001490 -0.000091 -0.001457 -0.001430 31O 1dyz -0.007409 0.008563 -0.000673 0.001439 0.007927 -0.000565 31O 1dx2y2 -0.004781 0.010076 -0.000669 -0.001380 0.008800 0.002662 31O 1dxy -0.005283 -0.005152 0.001143 -0.001856 0.000911 -0.002719 31O 2dz2 -0.037788 -0.059885 0.016365 0.029783 -0.043935 -0.025014 31O 2dxz -0.082422 -0.016592 -0.012371 -0.021492 -0.133625 0.040424 31O 2dyz -0.016026 -0.174205 0.019439 -0.039614 -0.051389 -0.068211 31O 2dx2y2 -0.038790 -0.038668 -0.012236 0.113392 0.028194 0.025084 31O 2dxy -0.010417 -0.042937 0.001720 0.084506 0.064308 -0.076227 31O 1f0 -0.000672 0.004880 -0.000083 -0.004472 -0.006125 0.000984 31O 1f+1 -0.000130 -0.003391 0.000360 0.002355 -0.004021 0.001168 31O 1f-1 -0.000860 0.001209 0.000735 0.002494 -0.000293 0.001714 31O 1f+2 -0.001457 0.006025 -0.000527 0.002333 0.006488 -0.005647 31O 1f-2 -0.001965 0.006890 -0.000900 0.008975 0.015049 -0.003848 31O 1f+3 0.002376 -0.008772 0.000992 -0.003526 -0.005866 -0.000428 31O 1f-3 -0.000456 0.005430 0.000281 0.006147 0.010363 -0.004552 32O 1s 0.000134 -0.000175 -0.000340 0.000744 -0.000668 -0.000305 32O 2s -0.000202 -0.000937 -0.001318 0.002217 -0.000607 -0.000847 32O 3s 0.010803 0.013201 0.013914 -0.014171 -0.020904 0.003415 32O 4s -0.073553 -0.036335 -0.027156 -0.033025 0.154311 -0.000331 32O 5s 0.228323 -0.021432 -0.062576 0.430964 -0.431705 -0.010452 32O 1pz -0.003102 -0.011284 0.018790 0.000270 0.013120 0.006850 32O 1px -0.006306 -0.008931 0.000284 0.007092 -0.013718 -0.000357 32O 1py 0.002395 0.022736 0.014792 -0.002715 -0.030764 -0.001476 32O 2pz -0.029256 0.002077 -0.030074 0.002051 0.034094 0.140459 32O 2px -0.015641 0.008063 0.004383 -0.007758 0.016071 0.054132 32O 2py -0.011904 -0.018255 -0.020331 0.040424 0.012090 -0.015824 32O 3pz 0.374256 0.028736 0.030944 -0.091949 0.106337 -0.028728 32O 3px 0.067749 -0.062904 -0.067688 0.182095 0.064712 -0.046583 32O 3py 0.145454 0.021348 0.003050 -0.065307 -0.174023 0.041551 32O 1dz2 -0.002532 0.000221 -0.000285 0.002508 -0.001046 0.001950 32O 1dxz 0.006498 -0.000462 0.000998 0.002445 0.000746 -0.002298 32O 1dyz 0.002694 -0.001178 0.000610 0.000715 0.001263 -0.001211 32O 1dx2y2 0.002652 0.000150 0.000464 -0.005221 0.000322 -0.000925 32O 1dxy 0.002164 0.000882 0.000912 -0.003408 -0.000552 0.000311 32O 2dz2 -0.086330 0.001046 0.005716 -0.055492 -0.005531 0.097042 32O 2dxz 0.214136 0.011576 -0.031241 0.023234 -0.044394 -0.096472 32O 2dyz 0.127033 0.012198 -0.014031 -0.021284 0.046173 0.109214 32O 2dx2y2 0.096119 0.048948 0.016338 -0.154562 -0.068060 -0.025473 32O 2dxy 0.075398 -0.033634 -0.014945 0.079122 0.083789 0.055950 32O 1f0 0.000453 -0.002199 -0.001413 0.006523 0.001795 -0.000018 32O 1f+1 -0.000192 0.000585 0.001706 -0.004362 0.000060 0.001195 32O 1f-1 -0.000091 -0.001405 -0.001881 0.002640 0.002165 0.004355 32O 1f+2 0.001678 0.001323 0.000856 -0.005553 -0.002001 -0.001802 32O 1f-2 -0.000746 -0.000005 -0.000425 0.002313 -0.002781 -0.006657 32O 1f+3 0.000506 0.000121 0.000616 -0.005045 0.000991 0.001942 32O 1f-3 0.000855 0.001603 0.001156 -0.001866 0.000428 0.003281 33O 1s -0.004941 0.000441 0.009423 0.000519 -0.002563 -0.010683 33O 2s -0.013054 0.001118 0.016444 0.000108 -0.004787 -0.029628 33O 3s 0.025737 -0.005248 0.127434 0.054626 -0.044982 0.122132 33O 4s 0.043732 -0.000399 -1.197620 -0.284828 0.376505 -0.026536 33O 5s 1.544643 0.107142 0.131708 -1.720244 1.284700 -1.584208 33O 1pz -0.055003 -0.025192 -0.059153 0.015670 0.001986 -0.035025 33O 1px -0.032410 -0.012187 -0.006861 0.016954 -0.027643 -0.058940 33O 1py -0.028826 0.025816 -0.036479 -0.005038 0.008996 -0.027686 33O 2pz 0.063291 -0.003114 -0.235629 -0.255465 0.229746 -0.231854 33O 2px -0.136372 -0.033648 0.278404 0.279645 -0.238198 0.127397 33O 2py -0.014992 0.043341 -0.035886 -0.113003 0.049113 -0.068918 33O 3pz 0.292992 0.114008 -0.809570 -0.634768 0.399649 -0.740140 33O 3px -0.833013 0.039388 0.036122 0.460493 -0.384813 0.593417 33O 3py 0.084482 -0.118672 -0.501523 0.009206 0.180519 -0.277311 33O 1dz2 0.000478 0.000525 0.009090 0.002691 -0.000505 0.001111 33O 1dxz 0.003614 -0.000488 -0.005715 -0.004362 0.004410 -0.003694 33O 1dyz -0.003119 -0.000454 0.006273 0.000827 -0.001151 -0.001494 33O 1dx2y2 -0.002806 -0.000925 -0.003854 0.001713 0.000121 -0.001485 33O 1dxy 0.001878 0.001694 -0.005783 -0.004684 0.002300 -0.001943 33O 2dz2 -0.041783 0.001758 -0.066013 -0.096016 -0.038092 0.008689 33O 2dxz -0.078463 -0.015605 0.020116 0.124640 -0.120598 0.149647 33O 2dyz -0.049767 -0.015889 -0.167047 0.130720 0.025851 0.019614 33O 2dx2y2 -0.005453 0.007238 -0.037415 -0.053195 0.026834 -0.038043 33O 2dxy -0.004611 -0.027160 -0.060410 0.124746 -0.011554 0.052212 33O 1f0 -0.001348 -0.000877 0.002181 0.008962 -0.000982 0.004375 33O 1f+1 0.000311 -0.000759 0.005547 0.005457 -0.003985 0.009418 33O 1f-1 0.001794 0.000763 0.010596 -0.000453 0.000104 -0.001004 33O 1f+2 0.002446 0.001648 -0.006464 -0.009103 0.006805 -0.013241 33O 1f-2 0.000897 0.000532 0.003892 0.002102 0.000251 0.003041 33O 1f+3 0.003361 0.000466 0.002352 -0.005045 0.002422 -0.005125 33O 1f-3 0.001875 -0.000395 0.004142 0.005969 -0.001498 0.005023 34O 1s 0.002754 -0.006711 0.001294 -0.001157 -0.005130 -0.012397 34O 2s 0.007273 -0.009579 0.003306 -0.001242 -0.013122 -0.032875 34O 3s -0.011057 -0.136965 -0.004961 -0.063089 0.026543 0.105185 34O 4s 0.022473 1.082630 -0.050138 0.360605 0.263972 0.171199 34O 5s -1.868971 0.222430 -0.072348 1.673954 -1.381733 -1.739972 34O 1pz 0.041960 0.035718 0.030370 -0.034370 0.002566 -0.036294 34O 1px 0.007043 0.026520 -0.006921 -0.000399 0.061934 0.028600 34O 1py -0.022517 -0.054905 0.013567 0.002446 0.023571 0.041643 34O 2pz 0.002817 -0.000051 0.031858 -0.040652 0.008356 -0.057222 34O 2px -0.179912 0.348025 -0.025546 0.374095 0.091846 -0.197114 34O 2py 0.035852 -0.099380 0.022043 -0.148388 0.008054 0.113534 34O 3pz 0.577052 0.400638 -0.115012 0.329884 -0.477189 -0.055610 34O 3px -0.599446 0.470413 0.021632 0.804122 -1.071060 -0.849077 34O 3py -0.052461 -0.680111 -0.084450 -0.333598 0.909080 0.325838 34O 1dz2 -0.002519 0.003275 0.000692 0.001451 -0.002286 -0.001531 34O 1dxz -0.002122 -0.007663 -0.000610 -0.001350 0.003941 0.001327 34O 1dyz -0.002101 0.001071 -0.000105 -0.002268 -0.001772 0.003243 34O 1dx2y2 -0.000016 -0.000066 0.000503 -0.003801 -0.003031 0.002370 34O 1dxy -0.006858 0.011893 -0.001666 0.006880 -0.009538 -0.000416 34O 2dz2 0.084395 -0.082471 -0.013976 0.016219 0.116501 0.086642 34O 2dxz 0.000177 -0.003918 0.007734 0.059845 0.034232 0.000977 34O 2dyz -0.072076 -0.175353 0.002984 0.101578 0.054156 -0.085525 34O 2dx2y2 -0.024997 -0.023873 0.001616 0.171516 -0.073513 -0.122714 34O 2dxy -0.025590 -0.079224 0.017324 -0.082983 -0.006175 0.034732 34O 1f0 -0.000749 0.003169 0.000117 0.001373 -0.000641 0.001181 34O 1f+1 0.002515 -0.001706 -0.000424 -0.009074 0.006984 0.011160 34O 1f-1 -0.000249 0.001641 0.001230 0.002453 -0.002666 -0.000913 34O 1f+2 0.000794 0.008507 -0.000826 -0.005169 -0.000674 0.000352 34O 1f-2 0.001114 0.007769 -0.000266 0.006191 -0.003212 0.000056 34O 1f+3 0.004206 -0.006124 0.000161 -0.009229 0.005765 0.011974 34O 1f-3 -0.000991 0.006802 0.000484 0.008511 -0.009324 -0.008523 35O 1s 0.010357 -0.000264 0.005804 0.001925 0.000312 0.009385 35O 2s 0.021628 -0.000658 0.007342 0.002767 0.001280 0.022965 35O 3s 0.063667 -0.000984 0.141875 0.058405 -0.019468 -0.002349 35O 4s -1.027609 0.019624 -1.062999 -0.365074 0.088349 -0.472879 35O 5s 2.340401 -0.035562 -0.358589 -1.271755 0.911650 -0.866937 35O 1pz 0.035812 -0.020370 -0.056135 0.006786 0.025954 0.060786 35O 1px -0.027278 -0.016210 -0.021596 0.040011 0.017797 -0.017517 35O 1py -0.005419 0.018327 -0.046061 -0.000949 -0.000845 0.034812 35O 2pz 0.050719 -0.018305 -0.075259 -0.025118 0.069914 0.015157 35O 2px -0.157178 -0.000821 -0.337295 -0.246192 0.105086 -0.328713 35O 2py -0.029611 0.033701 -0.170541 -0.171502 0.064338 -0.107938 35O 3pz -0.881477 0.031014 -0.694869 -0.117360 0.108437 0.280515 35O 3px -0.011893 0.105322 -0.325618 -0.929240 0.310740 -0.116014 35O 3py -0.768367 -0.130181 -0.574420 -0.199051 0.123465 0.116737 35O 1dz2 -0.005855 -0.000833 -0.001634 0.000545 -0.000530 -0.000434 35O 1dxz -0.004186 0.001518 0.011855 -0.001228 -0.003648 -0.001804 35O 1dyz -0.007899 0.001202 0.005017 -0.000803 -0.000467 0.002933 35O 1dx2y2 0.002286 -0.000037 -0.002720 0.001270 -0.001061 0.000377 35O 1dxy 0.001119 -0.000600 0.007769 0.002306 -0.000855 -0.000112 35O 2dz2 0.092951 0.012172 -0.052431 -0.017168 0.020241 0.082679 35O 2dxz -0.036004 -0.005080 -0.017705 -0.010343 0.028687 -0.050045 35O 2dyz -0.026546 -0.027703 -0.170244 0.077225 -0.025027 0.023461 35O 2dx2y2 -0.049025 0.003611 -0.033038 -0.125484 0.009664 0.018350 35O 2dxy -0.042493 0.015513 -0.085571 -0.043490 0.019986 0.015405 35O 1f0 -0.000781 0.000697 0.004185 0.002026 -0.002944 -0.000551 35O 1f+1 0.000644 -0.000140 0.005287 0.006099 -0.001817 0.004448 35O 1f-1 -0.003039 0.000157 0.009240 0.005689 -0.001302 0.004350 35O 1f+2 0.001949 0.000228 -0.009328 0.001000 0.001215 -0.002213 35O 1f-2 -0.000367 0.000668 0.002634 -0.001013 -0.000294 0.002118 35O 1f+3 0.001049 -0.000884 -0.000540 0.000169 0.000320 0.002064 35O 1f-3 0.000961 -0.000335 0.003553 0.008511 -0.000245 0.004029 306 307 308 309 310 311 1.43452 1.44135 1.44294 1.44685 1.45379 1.45976 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s -0.001097 -0.001800 -0.002162 0.001544 -0.001687 -0.000129 0Rh 2s 0.005950 0.009908 0.011846 -0.004710 0.005419 0.000676 0Rh 3s -0.002772 -0.004461 -0.005394 0.006155 -0.006558 -0.000340 0Rh 4s -0.028601 -0.047613 -0.056952 0.021880 -0.025282 -0.003247 0Rh 5s 0.039269 0.065621 0.078680 -0.007524 0.011703 0.004231 0Rh 6s 0.014169 0.023801 0.026496 -0.113020 0.117172 0.002955 0Rh 7s -0.165328 -0.405581 -0.481734 0.667507 -0.722587 0.009111 0Rh 8s -0.144688 -0.031351 -0.039277 0.349893 -0.295852 -0.058055 0Rh 1pz 0.013459 -0.007090 -0.002481 -0.000660 -0.003959 -0.001984 0Rh 1px 0.003093 -0.002101 0.000508 -0.010568 0.007694 -0.002293 0Rh 1py 0.008128 -0.002082 -0.000608 0.000839 0.002161 0.009428 0Rh 2pz -0.044729 0.023490 0.008005 0.002316 0.013744 0.007046 0Rh 2px -0.010017 0.007511 -0.001311 0.035954 -0.026185 0.007826 0Rh 2py -0.026653 0.007090 0.002362 -0.002946 -0.007293 -0.031256 0Rh 3pz -0.009585 0.006495 0.006869 -0.001850 -0.010241 -0.007517 0Rh 3px -0.007743 -0.009251 -0.007905 -0.010722 0.007957 -0.002504 0Rh 3py -0.013011 -0.001776 -0.006348 0.002849 0.000380 -0.008681 0Rh 4pz 0.292092 -0.158172 -0.073062 -0.007803 -0.032198 -0.013357 0Rh 4px 0.088073 -0.008151 0.035959 -0.155615 0.112539 -0.035224 0Rh 4py 0.200777 -0.035577 0.009546 0.004691 0.042012 0.213097 0Rh 5pz -0.432744 0.225715 0.119999 0.033159 0.016720 0.017424 0Rh 5px -0.143031 0.011323 -0.042268 0.164970 -0.105088 0.045942 0Rh 5py -0.296499 0.062815 -0.013273 -0.014907 -0.057019 -0.323487 0Rh 6pz -1.075690 0.870653 -0.081667 -0.470292 0.127722 0.198705 0Rh 6px 0.006252 0.135738 -0.165852 1.036319 -1.131135 0.244810 0Rh 6py -0.943243 -0.177837 -0.070462 0.326242 -0.303581 -0.487616 0Rh 1dz2 0.011006 0.005570 -0.002833 -0.002119 -0.001033 -0.013344 0Rh 1dxz -0.014726 0.005846 0.004396 -0.008985 -0.019368 -0.003020 0Rh 1dyz 0.012954 0.008206 -0.002160 -0.035359 -0.022885 -0.044673 0Rh 1dx2y2 0.006141 0.000246 -0.005009 -0.023312 -0.001683 -0.002038 0Rh 1dxy -0.009724 0.001499 -0.008649 0.000057 -0.014957 -0.024408 0Rh 2dz2 -0.003371 -0.000660 0.002723 0.000078 0.002086 0.003501 0Rh 2dxz 0.004450 -0.001021 0.000014 -0.001150 0.003566 0.000468 0Rh 2dyz -0.003864 -0.001684 0.001128 0.005949 0.004571 0.011005 0Rh 2dx2y2 -0.001645 -0.002374 -0.000359 0.005841 -0.002000 0.000395 0Rh 2dxy 0.001710 -0.001694 0.000944 0.001889 0.001526 0.006767 0Rh 3dz2 -0.010526 -0.009914 -0.005191 0.004616 -0.006994 0.015255 0Rh 3dxz 0.014365 -0.009019 -0.010065 0.025875 0.028807 0.004889 0Rh 3dyz -0.012798 -0.011336 -0.000011 0.054953 0.032363 0.054420 0Rh 3dx2y2 -0.006858 0.009608 0.013043 0.027559 0.012883 0.002909 0Rh 3dxy 0.014837 0.003896 0.015651 -0.008660 0.027834 0.026589 0Rh 4dz2 -0.057477 -0.013103 0.039627 0.000755 0.036603 0.062359 0Rh 4dxz 0.076126 -0.018307 -0.004023 -0.015055 0.069191 0.009903 0Rh 4dyz -0.066127 -0.032366 0.018444 0.115336 0.087622 0.196888 0Rh 4dx2y2 -0.028737 -0.033000 -0.002177 0.110406 -0.034171 0.008095 0Rh 4dxy 0.033248 -0.025324 0.021245 0.032577 0.030498 0.117649 0Rh 5dz2 0.213082 0.040296 -0.150309 0.019231 -0.238320 -0.254012 0Rh 5dxz -0.264992 0.040458 0.008722 0.167938 -0.269307 -0.044334 0Rh 5dyz 0.258999 0.136158 -0.086974 -0.421619 -0.371052 -0.782302 0Rh 5dx2y2 0.101327 0.133519 0.031560 -0.494374 0.238682 -0.048191 0Rh 5dxy -0.104313 0.107133 -0.076976 -0.216461 -0.051368 -0.450149 0Rh 1f0 0.010620 -0.003843 0.002214 -0.010230 0.012395 0.012183 0Rh 1f+1 0.032447 0.001440 0.001123 0.020387 -0.006830 -0.023898 0Rh 1f-1 0.054918 -0.011421 0.012915 -0.006598 -0.027021 0.055822 0Rh 1f+2 -0.022344 0.034945 0.021327 0.028992 -0.013854 0.009506 0Rh 1f-2 0.042587 0.013714 0.007260 0.031298 -0.000854 -0.011265 0Rh 1f+3 0.010393 0.002310 0.009943 0.018525 -0.026969 -0.000521 0Rh 1f-3 0.007715 0.002427 0.008478 0.014929 -0.026598 0.031707 1Rh 1s -0.001151 -0.001743 -0.002092 -0.001625 0.001693 -0.000174 1Rh 2s 0.006136 0.009710 0.011627 0.005132 -0.005459 0.000823 1Rh 3s -0.002977 -0.004245 -0.005114 -0.006370 0.006568 -0.000513 1Rh 4s -0.029470 -0.046684 -0.055936 -0.023902 0.025474 -0.003935 1Rh 5s 0.039770 0.065065 0.078306 0.010160 -0.012004 0.004584 1Rh 6s 0.017736 0.020048 0.021373 0.114699 -0.117116 0.005999 1Rh 7s -0.179836 -0.392932 -0.451870 -0.687886 0.722352 -0.006450 1Rh 8s -0.138844 -0.041551 -0.025439 -0.354413 0.296833 -0.064903 1Rh 1pz -0.013360 0.007138 0.002388 -0.000387 -0.004490 0.002047 1Rh 1px -0.002888 0.001755 -0.000079 -0.010468 0.007496 0.002223 1Rh 1py -0.007949 0.001858 0.000545 0.001033 0.002463 -0.009168 1Rh 2pz 0.044376 -0.023640 -0.007693 0.001424 0.015512 -0.007239 1Rh 2px 0.009330 -0.006348 -0.000148 0.035608 -0.025516 -0.007577 1Rh 2py 0.026045 -0.006336 -0.002148 -0.003594 -0.008300 0.030382 1Rh 3pz 0.010057 -0.006809 -0.006835 -0.002375 -0.009951 0.007097 1Rh 3px 0.007695 0.009304 0.008314 -0.010485 0.007833 0.002200 1Rh 3py 0.013115 0.001679 0.006359 0.002754 0.000215 0.008670 1Rh 4pz -0.292144 0.160463 0.071091 -0.000688 -0.043465 0.016351 1Rh 4px -0.083793 0.001089 -0.029602 -0.154495 0.109141 0.035254 1Rh 4py -0.197674 0.031663 -0.010798 0.008815 0.048401 -0.207693 1Rh 5pz 0.434141 -0.230394 -0.117447 0.022164 0.033408 -0.022258 1Rh 5px 0.134565 0.001666 0.035793 0.163104 -0.100045 -0.048055 1Rh 5py 0.291469 -0.056680 0.015631 -0.021363 -0.066256 0.313875 1Rh 6pz 1.056043 -0.846652 0.095724 -0.487642 0.174258 -0.216546 1Rh 6px 0.063909 -0.225678 0.120139 1.037879 -1.115115 -0.201449 1Rh 6py 0.956876 0.160711 0.058992 0.324094 -0.329815 0.505592 1Rh 1dz2 0.012042 0.004832 -0.002710 0.002215 0.001600 -0.013314 1Rh 1dxz -0.015723 0.006496 0.004089 0.009246 0.018803 -0.002294 1Rh 1dyz 0.014237 0.007483 -0.003355 0.036519 0.024215 -0.042906 1Rh 1dx2y2 0.006236 0.000021 -0.005753 0.023557 0.001786 -0.001340 1Rh 1dxy -0.009636 0.001639 -0.008822 0.000370 0.015622 -0.023601 1Rh 2dz2 -0.003491 -0.000575 0.002676 -0.000030 -0.002268 0.003503 1Rh 2dxz 0.004587 -0.001128 -0.000042 0.001117 -0.003417 0.000441 1Rh 2dyz -0.004069 -0.001561 0.001328 -0.006229 -0.004942 0.010681 1Rh 2dx2y2 -0.001715 -0.002282 -0.000143 -0.005950 0.002025 0.000204 1Rh 2dxy 0.001658 -0.001670 0.001047 -0.002047 -0.001709 0.006611 1Rh 3dz2 -0.012370 -0.008588 -0.005263 -0.005033 0.006489 0.015181 1Rh 3dxz 0.016046 -0.010035 -0.009107 -0.026329 -0.028157 0.003323 1Rh 3dyz -0.014828 -0.010218 0.001850 -0.056387 -0.033794 0.051783 1Rh 3dx2y2 -0.006759 0.009706 0.013786 -0.027644 -0.013224 0.002153 1Rh 3dxy 0.014870 0.003461 0.015591 0.008367 -0.028562 0.025422 1Rh 4dz2 -0.059921 -0.011440 0.038760 -0.000261 -0.039727 0.062321 1Rh 4dxz 0.079000 -0.020510 -0.004832 0.014316 -0.066623 0.009247 1Rh 4dyz -0.070163 -0.030004 0.022308 -0.120352 -0.094053 0.190649 1Rh 4dx2y2 -0.030062 -0.031186 0.001841 -0.112201 0.034396 0.004488 1Rh 4dxy 0.032328 -0.024941 0.023053 -0.035194 -0.033664 0.114675 1Rh 5dz2 0.218037 0.038201 -0.146154 -0.020029 0.250837 -0.253265 1Rh 5dxz -0.276139 0.050619 0.016536 -0.165369 0.261064 -0.047436 1Rh 5dyz 0.272759 0.128396 -0.100563 0.441215 0.396618 -0.757589 1Rh 5dx2y2 0.110880 0.121321 0.012924 0.501773 -0.239259 -0.030658 1Rh 5dxy -0.098888 0.102676 -0.086884 0.226758 0.063259 -0.438194 1Rh 1f0 -0.011055 0.003694 -0.001898 -0.009716 0.013018 -0.013045 1Rh 1f+1 -0.032385 -0.001544 -0.001830 0.019984 -0.008205 0.024551 1Rh 1f-1 -0.054252 0.010772 -0.012379 -0.005177 -0.026524 -0.057676 1Rh 1f+2 0.022075 -0.034828 -0.023168 0.027600 -0.011798 -0.008789 1Rh 1f-2 -0.042091 -0.014343 -0.008269 0.030471 -0.001355 0.011604 1Rh 1f+3 -0.009874 -0.002593 -0.010462 0.018198 -0.027663 0.000904 1Rh 1f-3 -0.008025 -0.002251 -0.009129 0.015170 -0.025356 -0.032107 2C 1s 0.003806 0.019876 0.023436 0.000334 0.032525 0.014383 2C 2s 0.014102 0.063030 0.074084 0.000987 0.101736 0.044944 2C 3s -0.054229 -0.591630 -0.733538 0.029686 -0.991411 -0.537750 2C 4s -0.256115 1.373314 1.890561 -0.177115 2.359690 1.860428 2C 5s 0.112651 -2.714738 -2.004874 -0.513775 -3.022110 0.852553 2C 1pz -0.138463 0.142888 -0.061560 0.004114 0.191714 0.020753 2C 1px 0.220182 -0.015672 -0.077565 0.017764 -0.114176 -0.034517 2C 1py 0.025258 -0.149175 0.177721 -0.088988 -0.031206 -0.021497 2C 2pz 0.166625 -0.426495 0.292332 -0.118541 -0.600841 0.342960 2C 2px -0.398001 -0.092104 0.127192 -0.016503 0.063420 0.033532 2C 2py -0.137234 0.379976 -0.458919 0.176915 -0.052119 0.381993 2C 3pz -0.097198 0.049461 0.063513 -0.179661 0.250531 0.525654 2C 3px 0.417932 -0.157045 -0.254260 -0.018098 -0.189258 -0.338258 2C 3py 0.072777 -0.180812 0.207862 -0.082201 0.049920 0.311130 2C 1dz2 0.016699 -0.016062 -0.004980 -0.003570 -0.023166 0.005045 2C 1dxz -0.024736 0.008710 -0.001678 -0.004782 0.014832 -0.006112 2C 1dyz -0.004592 -0.002354 -0.008746 0.004500 -0.005270 0.000004 2C 1dx2y2 -0.008625 0.005137 0.008085 -0.001653 0.006508 0.002289 2C 1dxy -0.021263 0.002304 0.008762 -0.002801 0.012276 -0.002754 2C 2dz2 -0.124928 0.189290 -0.048139 0.026855 0.070293 0.103804 2C 2dxz 0.397391 0.022455 -0.215390 0.084408 -0.304815 0.210287 2C 2dyz -0.094681 -0.010133 0.076688 0.002235 -0.065365 0.005519 2C 2dx2y2 -0.182248 0.177583 -0.171971 0.041785 0.210248 -0.142430 2C 2dxy 0.293975 -0.315617 0.147721 -0.052175 -0.322731 -0.051388 2C 1f0 -0.028623 0.027400 -0.012323 0.006756 0.034420 0.003868 2C 1f+1 0.005075 -0.013151 -0.003300 -0.002431 -0.012142 -0.012200 2C 1f-1 -0.014699 -0.013517 -0.001830 -0.009691 -0.006065 0.023577 2C 1f+2 0.024168 -0.003801 -0.016598 0.009013 -0.030035 -0.004636 2C 1f-2 -0.001995 0.012787 0.008414 -0.002755 0.024148 0.022616 2C 1f+3 0.006390 -0.015452 -0.034433 0.003385 -0.041661 -0.007189 2C 1f-3 -0.017800 -0.005207 -0.002426 -0.001474 0.001183 -0.024199 3C 1s 0.009612 0.023080 0.022796 0.019175 0.002561 -0.016911 3C 2s 0.030314 0.072585 0.072808 0.061200 0.008434 -0.052462 3C 3s -0.337684 -0.704655 -0.684908 -0.526271 -0.060528 0.637615 3C 4s 1.097599 1.735952 1.584534 1.065214 0.146111 -2.164782 3C 5s -0.184970 -2.303434 -2.836731 -1.221287 -0.514693 -0.480195 3C 1pz 0.098716 0.157980 -0.121730 0.030400 -0.104098 -0.021543 3C 1px 0.012343 0.013580 -0.033382 0.191653 -0.036441 -0.032039 3C 1py 0.056104 0.054687 -0.108925 0.136825 -0.034763 0.015435 3C 2pz -0.094976 -0.395567 0.369643 -0.233442 0.334068 -0.298585 3C 2px -0.016433 -0.105332 0.062451 -0.358184 0.042649 -0.115980 3C 2py -0.333702 -0.180237 0.350296 -0.180080 0.107008 0.296606 3C 3pz 0.318160 0.238896 -0.073710 0.021541 -0.122373 -0.487096 3C 3px -0.107827 -0.112607 -0.080030 0.295993 -0.093071 -0.049558 3C 3py -0.129955 0.086479 -0.006255 0.032750 -0.005681 0.337296 3C 1dz2 -0.006032 -0.009228 0.005441 0.002332 0.001650 0.001912 3C 1dxz -0.001919 -0.002721 -0.002524 -0.011723 0.001289 0.007083 3C 1dyz 0.001825 0.005302 0.008105 -0.006366 0.002402 0.003058 3C 1dx2y2 0.002453 0.010991 0.007222 -0.009659 0.001929 0.007008 3C 1dxy 0.001747 0.000539 -0.002202 0.027684 -0.004609 -0.011998 3C 2dz2 -0.005226 0.034395 0.025645 -0.122690 0.010984 -0.011394 3C 2dxz 0.166573 0.073349 -0.112535 0.378167 -0.072791 -0.211421 3C 2dyz -0.057838 -0.187584 0.145068 0.123768 0.081341 -0.151376 3C 2dx2y2 0.006260 0.131900 -0.242727 0.218141 -0.188385 0.097920 3C 2dxy -0.009064 0.128839 -0.105627 -0.187387 -0.064343 0.209137 3C 1f0 0.005607 0.025023 0.006522 0.026849 -0.004651 0.015366 3C 1f+1 -0.005482 0.011139 -0.000824 -0.010870 -0.002809 0.018168 3C 1f-1 -0.001056 0.000715 0.028604 -0.000212 0.007906 -0.019147 3C 1f+2 -0.014470 -0.021211 -0.010880 0.004711 0.004521 0.037045 3C 1f-2 -0.004021 -0.012065 -0.000436 -0.004311 0.006369 0.021897 3C 1f+3 0.006517 -0.003208 -0.018088 0.005443 -0.010854 -0.004216 3C 1f-3 0.013178 0.008921 0.009085 0.030374 0.003773 -0.019476 4C 1s 0.015214 0.025922 0.024492 0.005250 0.030608 -0.004313 4C 2s 0.048458 0.080694 0.076766 0.016604 0.094449 -0.013194 4C 3s -0.494907 -0.933003 -0.988078 -0.161068 -1.099538 -0.147026 4C 4s 1.211252 2.560359 2.892523 0.304392 3.268679 0.718421 4C 5s -1.486306 0.508471 1.449968 0.604930 0.624650 2.536410 4C 1pz -0.123001 0.216274 -0.187079 0.104116 0.111721 0.048408 4C 1px 0.341879 -0.012800 -0.160601 0.045816 -0.118903 0.152666 4C 1py 0.034394 -0.341368 0.313873 -0.177629 -0.203730 -0.065952 4C 2pz 0.609416 0.073235 0.960290 -0.140402 0.199792 0.793691 4C 2px -1.428361 0.286299 0.320293 -0.176717 0.354255 -0.732359 4C 2py -0.143690 0.840444 -0.013425 0.273834 0.603188 0.411761 4C 3pz -0.274836 -0.565714 0.350116 0.024732 0.191710 2.739441 4C 3px -1.514766 0.607947 0.282361 -0.215893 1.016246 0.409395 4C 3py -0.685692 -0.456419 0.591088 -0.430396 0.203881 1.685865 4C 1dz2 -0.004008 0.000650 -0.009776 0.003439 -0.003514 0.008779 4C 1dxz -0.010062 -0.001587 -0.009863 0.002937 -0.004755 0.005404 4C 1dyz -0.002608 -0.001122 0.011563 -0.000291 0.000514 0.017287 4C 1dx2y2 0.005690 0.016966 0.010606 0.001084 0.019147 0.001094 4C 1dxy -0.005312 0.005727 0.006724 0.002701 0.012583 0.006729 4C 2dz2 -0.189855 0.078990 -0.197458 -0.038585 0.306825 -0.410571 4C 2dxz 0.470824 -0.406100 -0.494663 0.093776 -0.718129 -0.718404 4C 2dyz 0.028432 0.021357 0.007022 0.046668 0.089154 -0.091867 4C 2dx2y2 -0.029560 0.231990 0.548389 0.015967 0.157992 0.933498 4C 2dxy 0.243268 -0.089484 0.085845 0.096993 -0.306318 0.259002 4C 1f0 -0.010277 -0.012763 -0.028519 -0.003691 -0.018084 -0.009265 4C 1f+1 -0.017197 -0.035378 -0.047059 -0.002842 -0.041307 -0.029740 4C 1f-1 0.024981 0.009661 0.014445 0.007174 0.003807 0.013080 4C 1f+2 0.034023 0.025091 0.032364 0.008584 0.029429 0.032781 4C 1f-2 -0.018145 0.011767 0.004656 0.002565 0.008984 -0.011830 4C 1f+3 0.023616 0.007311 0.005365 0.009369 0.008271 0.018416 4C 1f-3 0.007101 -0.045587 -0.039803 -0.001128 -0.043882 -0.011464 5C 1s 0.004702 0.023894 0.028161 0.028848 0.005719 0.006459 5C 2s 0.015442 0.074319 0.088183 0.090233 0.018263 0.020198 5C 3s -0.330955 -0.920765 -1.042596 -1.060099 -0.218222 0.061825 5C 4s 1.053219 2.631160 2.870314 2.907543 0.504097 -0.549763 5C 5s 1.595500 1.376121 0.246278 0.786379 0.576876 -2.503453 5C 1pz 0.104257 0.323071 -0.286898 0.102869 -0.106008 0.103122 5C 1px 0.010756 -0.013574 -0.120532 0.210108 -0.013383 -0.110772 5C 1py 0.049543 0.208582 -0.207874 0.197251 -0.077888 0.058707 5C 2pz 0.041096 -0.198967 0.644910 0.169469 0.181944 -0.541926 5C 2px 0.368633 0.420827 0.754862 -0.263772 0.198000 0.049730 5C 2py -0.498090 -0.822236 -0.200515 -0.778018 -0.002879 0.567412 5C 3pz 0.731381 0.084358 -0.655974 0.737772 -0.084113 -1.574857 5C 3px 0.689934 0.507851 -0.038389 -0.613842 0.378253 -0.531808 5C 3py -1.149130 0.038947 0.476300 -0.503228 -0.036289 2.693055 5C 1dz2 0.001124 -0.004196 -0.011978 -0.002259 -0.006129 0.005454 5C 1dxz -0.005266 -0.003951 -0.011520 -0.008867 -0.004254 -0.003802 5C 1dyz -0.011917 -0.012076 -0.001228 -0.013394 0.000173 0.014428 5C 1dx2y2 0.005060 0.013875 0.008288 0.009505 -0.005579 0.007471 5C 1dxy -0.007609 -0.000248 0.000956 0.006205 0.000216 0.007982 5C 2dz2 -0.235046 -0.184347 -0.205791 -0.409718 -0.071270 0.533599 5C 2dxz -0.391383 -0.318294 -0.173886 0.107217 -0.142493 0.428989 5C 2dyz -0.060996 -0.162215 -0.052182 0.130405 -0.079962 -0.023368 5C 2dx2y2 0.584944 0.383229 0.325221 0.638889 0.021231 -1.094315 5C 2dxy 0.041056 0.245513 0.050306 -0.561644 0.155748 -0.076466 5C 1f0 -0.007896 -0.022721 -0.030501 -0.033740 -0.006328 0.021914 5C 1f+1 -0.023603 -0.033465 -0.046547 -0.029981 -0.013292 0.014423 5C 1f-1 -0.000194 -0.001762 0.007089 -0.005988 0.002978 0.001352 5C 1f+2 -0.007327 -0.010776 -0.012529 -0.010953 -0.008241 0.002064 5C 1f-2 0.011305 0.016179 0.016445 0.030982 -0.001430 -0.020411 5C 1f+3 -0.017769 -0.028604 -0.032027 -0.025620 -0.012105 0.020505 5C 1f-3 0.022127 0.045443 0.039571 0.039633 0.007217 -0.013210 6C 1s 0.005139 0.023873 0.029246 -0.027905 -0.006320 0.006048 6C 2s 0.016790 0.074274 0.091560 -0.087308 -0.020094 0.018844 6C 3s -0.346172 -0.921608 -1.082260 1.017840 0.227428 0.080859 6C 4s 1.097132 2.632468 2.982992 -2.782617 -0.516377 -0.603340 6C 5s 1.609612 1.387810 0.263748 -0.682831 -0.499917 -2.517575 6C 1pz -0.112951 -0.319212 0.283971 0.112955 -0.100206 -0.116727 6C 1px -0.004748 0.007855 0.113169 0.214167 -0.022552 0.116722 6C 1py -0.052575 -0.208227 0.201181 0.204945 -0.075696 -0.063892 6C 2pz -0.025308 0.187136 -0.654001 0.136022 0.156241 0.573160 6C 2px -0.393707 -0.406596 -0.745750 -0.297195 0.220555 -0.056435 6C 2py 0.505197 0.827676 0.230180 -0.752688 0.019132 -0.577018 6C 3pz -0.737450 -0.084384 0.626827 0.731507 -0.166007 1.603653 6C 3px -0.718929 -0.490523 0.058623 -0.640103 0.370069 0.516783 6C 3py 1.138766 -0.032019 -0.457185 -0.460273 0.087629 -2.732506 6C 1dz2 0.001054 -0.004177 -0.012235 0.001567 0.006239 0.006042 6C 1dxz -0.005227 -0.004059 -0.011918 0.008629 0.004340 -0.003529 6C 1dyz -0.011977 -0.012207 -0.001611 0.012769 -0.000734 0.014461 6C 1dx2y2 0.005507 0.013759 0.008737 -0.009390 0.005289 0.007773 6C 1dxy -0.007787 -0.000181 0.001281 -0.006379 -0.000571 0.007886 6C 2dz2 -0.230489 -0.192466 -0.221160 0.389481 0.050885 0.553645 6C 2dxz -0.401330 -0.313316 -0.170075 -0.128668 0.126744 0.426612 6C 2dyz -0.070348 -0.154886 -0.045299 -0.136073 0.084795 -0.032014 6C 2dx2y2 0.575371 0.399087 0.348633 -0.600582 0.023808 -1.121737 6C 2dxy 0.057327 0.229518 0.029795 0.574448 -0.160007 -0.056851 6C 1f0 0.007967 0.022938 0.031755 -0.032097 -0.005616 -0.023024 6C 1f+1 0.024242 0.033523 0.047565 -0.027793 -0.013225 -0.015111 6C 1f-1 -0.000046 0.002028 -0.006873 -0.006282 0.003205 -0.001439 6C 1f+2 0.007415 0.011067 0.012871 -0.010451 -0.008271 -0.002689 6C 1f-2 -0.011202 -0.016639 -0.017685 0.029989 -0.002482 0.021187 6C 1f+3 0.018165 0.028719 0.033013 -0.023772 -0.011903 -0.021376 6C 1f-3 -0.022989 -0.045299 -0.041088 0.037587 0.007216 0.013647 7C 1s 0.016418 0.024901 0.024777 -0.003970 -0.030494 -0.005735 7C 2s 0.052234 0.077508 0.077644 -0.012621 -0.094062 -0.017584 7C 3s -0.540675 -0.893683 -0.998242 0.120208 1.105200 -0.094518 7C 4s 1.337055 2.450905 2.918734 -0.196819 -3.296211 0.549126 7C 5s -1.461951 0.500537 1.466823 -0.613287 -0.755202 2.515348 7C 1pz 0.124467 -0.219606 0.186465 0.108407 0.121033 -0.044443 7C 1px -0.342427 0.010517 0.159304 0.057339 -0.119990 -0.154118 7C 1py -0.033173 0.343568 -0.310609 -0.184611 -0.214151 0.056608 7C 2pz -0.637089 -0.043001 -0.960051 -0.149142 0.203157 -0.785135 7C 2px 1.432746 -0.281692 -0.315726 -0.217814 0.367574 0.739761 7C 2py 0.127462 -0.829088 0.005540 0.272273 0.634515 -0.388674 7C 3pz 0.235737 0.593246 -0.358575 0.090185 0.269091 -2.681056 7C 3px 1.502174 -0.595432 -0.271472 -0.231664 1.070871 -0.391821 7C 3py 0.661577 0.482070 -0.588700 -0.402643 0.258772 -1.672087 7C 1dz2 -0.004182 0.000834 -0.009912 -0.003899 0.003034 0.008808 7C 1dxz -0.010462 -0.001330 -0.009823 -0.003275 0.004417 0.005535 7C 1dyz -0.002256 -0.001359 0.011630 0.000194 -0.001125 0.017529 7C 1dx2y2 0.006244 0.016483 0.010554 -0.000521 -0.019387 -0.000094 7C 1dxy -0.005144 0.005547 0.006755 -0.002532 -0.012810 0.006214 7C 2dz2 -0.192263 0.079808 -0.202663 0.045187 -0.297121 -0.413464 7C 2dxz 0.451507 -0.385095 -0.486585 -0.099001 0.748868 -0.709530 7C 2dyz 0.031641 0.020449 0.010119 -0.043928 -0.088173 -0.096290 7C 2dx2y2 -0.013944 0.216326 0.551493 -0.017856 -0.190561 0.926137 7C 2dxy 0.247333 -0.089578 0.092276 -0.104468 0.305258 0.255056 7C 1f0 0.011332 0.011920 0.029066 -0.002932 -0.018458 0.008425 7C 1f+1 0.019133 0.033623 0.047438 -0.001575 -0.042193 0.027681 7C 1f-1 -0.025604 -0.009070 -0.014735 0.006958 0.003612 -0.013032 7C 1f+2 -0.035569 -0.023570 -0.032804 0.008242 0.029855 -0.031019 7C 1f-2 0.018085 -0.011425 -0.004513 0.001791 0.009072 0.011929 7C 1f+3 -0.024083 -0.007033 -0.005688 0.009667 0.008350 -0.017683 7C 1f-3 -0.005334 0.043974 0.040176 0.000553 -0.045010 0.009567 8C 1s 0.009946 0.023083 0.023629 -0.017815 -0.002344 -0.017418 8C 2s 0.031363 0.072610 0.075471 -0.056930 -0.007745 -0.054103 8C 3s -0.347311 -0.705204 -0.709412 0.481884 0.048682 0.652727 8C 4s 1.119394 1.739299 1.637895 -0.941646 -0.091487 -2.200678 8C 5s -0.225450 -2.306028 -2.883476 1.096463 0.601610 -0.482037 8C 1pz -0.102335 -0.157768 0.120984 0.032945 -0.104968 0.010335 8C 1px -0.006816 -0.018009 0.026487 0.193201 -0.040450 0.033819 8C 1py -0.054711 -0.057340 0.106189 0.141539 -0.037225 -0.018319 8C 2pz 0.104954 0.396242 -0.362929 -0.252412 0.321094 0.329758 8C 2px 0.011294 0.110172 -0.050480 -0.364398 0.042254 0.117948 8C 2py 0.329718 0.189062 -0.347735 -0.185446 0.129572 -0.288363 8C 3pz -0.314007 -0.241818 0.072651 0.010088 -0.142614 0.478546 8C 3px 0.118956 0.111255 0.070012 0.302716 -0.100339 0.047484 8C 3py 0.136928 -0.090251 0.011247 0.037102 0.011264 -0.351570 8C 1dz2 -0.006486 -0.008928 0.005605 -0.002396 -0.001661 0.001200 8C 1dxz -0.001715 -0.002846 -0.003083 0.011484 -0.001528 0.007439 8C 1dyz 0.002304 0.004933 0.007873 0.006581 -0.002610 0.003273 8C 1dx2y2 0.002958 0.010613 0.006948 0.010016 -0.002595 0.007676 8C 1dxy 0.001052 0.001306 -0.001163 -0.027714 0.005446 -0.012842 8C 2dz2 -0.002380 0.031524 0.020747 0.122768 -0.013263 -0.009733 8C 2dxz 0.159293 0.087099 -0.104371 -0.381646 0.090915 -0.216590 8C 2dyz -0.063255 -0.183892 0.149497 -0.120736 -0.072833 -0.169126 8C 2dx2y2 0.004121 0.134145 -0.234212 -0.227386 0.184061 0.108335 8C 2dxy 0.000774 0.123751 -0.114406 0.182549 0.053369 0.227393 8C 1f0 -0.006227 -0.025212 -0.007585 0.026636 -0.003838 -0.016074 8C 1f+1 0.005080 -0.009927 0.001443 -0.011019 -0.001425 -0.019551 8C 1f-1 0.001296 -0.000531 -0.028735 -0.001837 0.007688 0.020032 8C 1f+2 0.014915 0.020975 0.010848 0.006368 0.005446 -0.036681 8C 1f-2 0.004250 0.012388 0.001338 -0.003594 0.006739 -0.022242 8C 1f+3 -0.005941 0.002889 0.018136 0.005825 -0.011505 0.003603 8C 1f-3 -0.012767 -0.009481 -0.009847 0.029872 0.002637 0.020462 9C 1s 0.004602 0.019017 0.023642 0.000452 -0.033028 0.012531 9C 2s 0.016665 0.060262 0.074733 0.001508 -0.103239 0.039169 9C 3s -0.076520 -0.565621 -0.738736 -0.051946 1.010501 -0.480327 9C 4s -0.208010 1.311076 1.899911 0.221082 -2.431293 1.723365 9C 5s 0.086321 -2.671900 -2.031466 0.376926 3.046441 0.984275 9C 1pz 0.140208 -0.143787 0.063600 0.003325 0.198115 -0.012627 9C 1px -0.218274 0.012103 0.077745 0.021917 -0.117770 0.034495 9C 1py -0.025406 0.150322 -0.178673 -0.092794 -0.035208 0.025912 9C 2pz -0.169470 0.431451 -0.294598 -0.110329 -0.603803 -0.377612 9C 2px 0.397860 0.095838 -0.130173 -0.023789 0.066583 -0.034912 9C 2py 0.139200 -0.382478 0.466675 0.195089 -0.031897 -0.396285 9C 3pz 0.090400 -0.039980 -0.061869 -0.171417 0.265673 -0.515037 9C 3px -0.417070 0.154260 0.255127 -0.012792 -0.209427 0.343824 9C 3py -0.081268 0.189680 -0.205761 -0.079525 0.053539 -0.287666 9C 1dz2 0.016522 -0.015826 -0.004913 0.002933 0.023586 0.005646 9C 1dxz -0.024561 0.008475 -0.001993 0.005126 -0.015104 -0.006063 9C 1dyz -0.004789 -0.002091 -0.008780 -0.004750 0.005164 0.000503 9C 1dx2y2 -0.008398 0.005197 0.007781 0.001868 -0.006886 0.002145 9C 1dxy -0.021505 0.002225 0.008681 0.003311 -0.012770 -0.002742 9C 2dz2 -0.125217 0.186823 -0.049768 -0.026960 -0.079270 0.107012 9C 2dxz 0.402614 0.021960 -0.214079 -0.098966 0.306992 0.217632 9C 2dyz -0.093749 -0.005999 0.070337 -0.001681 0.063903 0.018220 9C 2dx2y2 -0.185742 0.188864 -0.182160 -0.042169 -0.217119 -0.150354 9C 2dxy 0.286706 -0.311644 0.150468 0.050902 0.329834 -0.042642 9C 1f0 0.028264 -0.027681 0.012804 0.006849 0.035562 -0.002385 9C 1f+1 -0.003889 0.012111 0.003119 -0.002317 -0.011786 0.011865 9C 1f-1 0.015283 0.013467 0.002239 -0.008873 -0.005705 -0.023397 9C 1f+2 -0.024776 0.004428 0.016967 0.009766 -0.032042 0.003411 9C 1f-2 0.001411 -0.012221 -0.008066 -0.002612 0.024263 -0.020269 9C 1f+3 -0.006248 0.014319 0.034629 0.004711 -0.041819 0.004271 9C 1f-3 0.017725 0.005603 0.003950 -0.001787 -0.001083 0.023946 10H 1s -0.012874 -0.005674 -0.011955 0.005534 0.002177 -0.025259 10H 2s 0.602327 -0.270089 -0.242730 0.060405 -0.768291 0.103403 10H 3s -0.312084 0.615377 0.710797 0.015178 0.949897 0.436190 10H 1pz 0.070734 -0.047694 -0.039725 0.011331 -0.106604 0.020638 10H 1px -0.095324 0.047731 0.048940 -0.007411 0.123458 0.035860 10H 1py 0.099709 -0.044598 -0.034197 0.019022 -0.099074 0.040599 11H 1s -0.032480 -0.005447 0.005041 -0.012143 0.009753 0.021324 11H 2s -0.105328 -0.561517 0.258012 -0.096870 -0.424286 -0.448919 11H 3s 0.072372 0.752837 0.131798 0.074375 0.828688 0.066013 11H 1pz 0.043065 -0.090828 0.011002 -0.007213 -0.117942 -0.065711 11H 1px -0.065266 -0.046241 0.005535 -0.018467 -0.025658 -0.036601 11H 1py -0.019378 0.059017 -0.012167 0.018051 0.051722 -0.001013 12H 1s -0.028731 0.002446 0.003206 -0.001472 0.018955 0.007228 12H 2s -0.364687 0.397513 -0.626487 0.211832 0.025210 -0.144387 12H 3s 0.138069 0.239504 0.699015 -0.060657 0.609829 0.009130 12H 1pz 0.026745 -0.011689 0.017581 -0.005527 -0.020551 0.000921 12H 1px 0.024300 -0.027218 -0.043650 0.011289 -0.063733 0.052713 12H 1py -0.078790 0.048598 -0.115665 0.033485 -0.008182 -0.056521 13H 1s -0.014930 -0.005666 -0.008944 0.002544 -0.008294 0.007518 13H 2s 0.023966 -0.342081 -0.033141 0.261485 0.153370 -0.106980 13H 3s 0.345861 0.689362 0.534802 0.193792 0.022144 -0.368576 13H 1pz -0.027198 -0.081514 -0.038754 0.083192 -0.002551 -0.024054 13H 1px 0.010371 0.023630 0.007582 0.015686 -0.020950 -0.053029 13H 1py -0.008650 0.035296 0.014742 -0.003524 -0.009331 0.012435 14H 1s 0.006847 -0.001577 -0.007580 -0.021556 -0.003839 0.000769 14H 2s -0.309870 -0.475158 0.209991 -0.625072 0.280664 0.284342 14H 3s 0.241997 0.679214 0.387646 0.591715 -0.050031 -0.241703 14H 1pz -0.047449 -0.034382 0.028001 -0.134656 0.049412 0.113605 14H 1px -0.040985 -0.093355 -0.013718 -0.071478 0.020003 -0.000008 14H 1py -0.016149 -0.003364 0.005137 -0.032595 0.001114 0.026378 15H 1s 0.009941 0.004560 -0.008044 -0.017358 -0.001122 -0.034940 15H 2s 0.049285 0.203547 -0.642977 0.067040 -0.286815 0.535646 15H 3s -0.017390 0.150835 0.798211 0.203431 0.255215 -0.119580 15H 1pz -0.022620 0.000882 0.066408 0.007861 0.029325 -0.013712 15H 1px 0.004703 0.012160 -0.005981 -0.080504 0.015004 0.057644 15H 1py 0.005474 -0.001548 0.104571 -0.028662 0.037598 -0.083542 16H 1s 0.009354 0.010401 -0.002450 -0.004472 -0.006288 -0.063531 16H 2s 0.119742 -0.052674 0.026580 -0.053334 0.144157 0.360763 16H 3s 0.099029 -0.038425 -0.102124 -0.161018 0.011807 -0.139411 16H 1pz -0.023547 0.010499 0.000754 0.001355 0.008331 0.045130 16H 1px 0.080081 -0.006706 0.027297 0.009522 0.114674 -0.004558 16H 1py 0.005712 -0.032680 0.024633 0.034805 0.040995 0.045559 17H 1s 0.009690 -0.012751 0.000065 0.016737 -0.011573 0.061556 17H 2s 0.043668 0.121750 -0.009962 -0.257574 0.056563 -0.269432 17H 3s -0.038021 -0.053723 -0.012993 -0.044402 0.132461 0.175564 17H 1pz -0.025330 -0.013495 -0.009810 0.090207 -0.000284 -0.003008 17H 1px 0.013576 0.024223 0.009775 -0.075594 -0.027296 0.054333 17H 1py -0.027359 0.037343 0.002395 -0.047085 -0.027411 -0.075217 18H 1s 0.010337 -0.013089 0.000540 -0.017471 0.011431 0.059756 18H 2s 0.040136 0.120176 -0.018220 0.265873 -0.052802 -0.254845 18H 3s -0.035734 -0.055939 -0.016676 0.042460 -0.137215 0.172837 18H 1pz 0.020711 0.015529 0.006963 0.091869 -0.000227 0.004211 18H 1px -0.011379 -0.024808 -0.006699 -0.076113 -0.026638 -0.055652 18H 1py 0.027120 -0.037465 -0.000305 -0.046864 -0.028851 0.072611 19H 1s 0.011625 0.008458 -0.003066 0.006396 0.007752 -0.064592 19H 2s 0.111926 -0.046884 0.025861 0.050200 -0.147197 0.365792 19H 3s 0.104922 -0.045900 -0.107216 0.161425 -0.004968 -0.131336 19H 1pz 0.024867 -0.012050 -0.000550 0.001885 0.009313 -0.045950 19H 1px -0.087623 0.011025 -0.027090 0.007022 0.111812 0.007634 19H 1py -0.005904 0.030981 -0.025917 0.034798 0.042346 -0.042676 20H 1s 0.009935 0.004312 -0.008612 0.018276 0.002217 -0.034771 20H 2s 0.054683 0.205904 -0.646071 -0.098459 0.271091 0.571949 20H 3s -0.007957 0.147881 0.810603 -0.172051 -0.261457 -0.142183 20H 1pz 0.022855 -0.000518 -0.067402 0.004676 0.030303 0.017203 20H 1px -0.006621 -0.009933 0.009683 -0.078540 0.017741 -0.059530 20H 1py -0.005445 0.002135 -0.104311 -0.034230 0.036020 0.087223 21H 1s 0.007366 -0.001899 -0.008308 0.021479 0.003832 0.001466 21H 2s -0.309299 -0.487944 0.189317 0.626046 -0.297220 0.276972 21H 3s 0.246526 0.683223 0.407794 -0.566110 0.051068 -0.233609 21H 1pz 0.046260 0.038471 -0.022875 -0.133010 0.055506 -0.115029 21H 1px 0.041678 0.093809 0.016368 -0.069911 0.019340 0.002663 21H 1py 0.015475 0.004579 -0.004344 -0.032367 0.003065 -0.025971 22H 1s -0.015195 -0.005444 -0.008783 -0.003039 0.007590 0.008187 22H 2s 0.009348 -0.328546 -0.030308 -0.269125 -0.133160 -0.130202 22H 3s 0.359690 0.687512 0.547053 -0.155171 -0.023656 -0.368006 22H 1pz 0.030751 0.077885 0.036244 0.085340 -0.006486 0.029502 22H 1px -0.011557 -0.023782 -0.009125 0.012876 -0.021921 0.053437 22H 1py 0.006638 -0.034261 -0.015330 -0.005580 -0.007180 -0.014284 23H 1s -0.029183 0.002700 0.003474 0.001646 -0.019844 0.006973 23H 2s -0.365400 0.409084 -0.639993 -0.222024 -0.034968 -0.133261 23H 3s 0.150323 0.218103 0.707159 0.088917 -0.610105 -0.035716 23H 1pz -0.027240 0.011795 -0.018444 -0.005289 -0.020902 -0.000403 23H 1px -0.021461 0.025670 0.041904 0.013226 -0.060303 -0.053457 23H 1py 0.076635 -0.049498 0.118933 0.035636 -0.009943 0.050259 24H 1s -0.033072 -0.005029 0.004478 0.011628 -0.011240 0.019803 24H 2s -0.116269 -0.555190 0.262223 0.107887 0.442032 -0.414818 24H 3s 0.085938 0.737193 0.137446 -0.057675 -0.840506 0.023428 24H 1pz -0.039374 0.088052 -0.011380 -0.007669 -0.120024 0.059177 24H 1px 0.062035 0.048837 -0.004949 -0.018909 -0.030472 0.030985 24H 1py 0.017305 -0.057208 0.013073 0.017274 0.050705 0.000785 25H 1s -0.013757 -0.004696 -0.011718 -0.005316 -0.001995 -0.026420 25H 2s 0.603121 -0.271755 -0.235816 -0.079540 0.781178 0.139437 25H 3s -0.300490 0.601065 0.713297 0.011094 -0.978298 0.393609 25H 1pz -0.074053 0.048811 0.039497 0.014861 -0.110931 -0.025837 25H 1px 0.094030 -0.046078 -0.048540 -0.009744 0.126586 -0.030175 25H 1py -0.094569 0.041983 0.032281 0.021115 -0.096489 -0.043500 26O 1s 0.003494 -0.001797 -0.000797 -0.003258 -0.012073 -0.000378 26O 2s 0.008517 -0.006683 -0.003770 -0.009672 -0.030069 -0.001940 26O 3s -0.010893 0.068636 0.063156 0.046436 0.060757 0.035563 26O 4s -0.271267 -0.151736 -0.227530 -0.101223 0.449415 -0.254673 26O 5s 1.719044 -0.947651 -1.710515 0.022982 -2.128266 -1.559720 26O 1pz -0.007608 0.013666 -0.005345 0.031435 0.038199 0.050830 26O 1px 0.038398 -0.050892 -0.027617 -0.006835 -0.058391 0.062706 26O 1py 0.031396 -0.038965 0.025619 0.000805 -0.023096 0.042472 26O 2pz -0.000815 0.032052 0.031674 0.021968 0.096995 0.151044 26O 2px 0.057042 0.154519 0.251363 0.093829 0.048518 0.204496 26O 2py 0.029812 0.009350 0.175845 0.018449 0.041575 0.151758 26O 3pz -0.854577 0.405755 0.299247 -0.121879 0.415242 0.006911 26O 3px -1.051016 0.717724 0.751074 -0.236126 1.132731 0.306104 26O 3py -0.932883 0.678616 0.403216 -0.157250 0.748915 0.193076 26O 1dz2 -0.000909 0.001882 -0.001399 -0.000956 -0.000588 -0.003403 26O 1dxz -0.008575 0.004633 0.000995 -0.001424 0.004473 0.003083 26O 1dyz -0.005483 0.003716 0.001780 -0.002326 0.000953 -0.002298 26O 1dx2y2 0.001163 0.000443 -0.003162 0.000999 0.001110 0.001177 26O 1dxy -0.005058 0.000149 0.004701 -0.003928 0.001055 0.001445 26O 2dz2 -0.004049 0.102697 0.108033 -0.016965 0.131599 -0.013889 26O 2dxz -0.043727 -0.028508 -0.051761 0.027413 -0.084727 -0.045720 26O 2dyz 0.018777 0.014009 -0.000606 -0.030189 0.112570 -0.007105 26O 2dx2y2 0.137249 -0.050477 -0.050550 -0.004445 -0.047755 0.038647 26O 2dxy 0.102372 -0.074949 -0.043785 0.019704 -0.084091 -0.025313 26O 1f0 0.002986 -0.004765 -0.000556 -0.000253 -0.004021 -0.002404 26O 1f+1 0.005771 -0.010158 -0.009759 0.000381 -0.011741 0.001962 26O 1f-1 0.003160 -0.003717 -0.006807 0.001157 -0.003540 0.001848 26O 1f+2 -0.003558 0.008411 0.002288 0.001585 0.006568 0.003854 26O 1f-2 -0.001817 0.001916 -0.001258 0.002637 0.001916 0.001429 26O 1f+3 0.001468 -0.009796 0.003377 -0.002654 -0.006823 0.000941 26O 1f-3 0.008430 -0.009886 -0.012921 -0.000573 -0.013276 0.002777 27O 1s 0.002460 0.000135 0.001686 0.007256 0.001113 -0.003247 27O 2s 0.004899 -0.001870 0.001243 0.016053 0.003451 -0.006713 27O 3s 0.038547 0.070528 0.082834 0.043952 -0.012544 -0.043212 27O 4s -0.345064 -0.331868 -0.467137 -0.629529 0.050895 0.535900 27O 5s -1.488299 -1.307162 -0.916764 -0.946399 -0.642366 1.773933 27O 1pz 0.021636 0.014813 -0.022568 -0.025880 -0.012034 0.022311 27O 1px 0.025277 -0.023747 -0.036145 0.028579 -0.007798 -0.092938 27O 1py 0.017740 0.010286 0.005629 0.056196 0.014324 0.037343 27O 2pz 0.022397 0.020685 -0.064169 -0.037220 -0.009573 -0.037197 27O 2px 0.319242 0.287308 0.340112 0.521158 0.002524 -0.454588 27O 2py -0.093999 -0.042445 -0.097506 -0.033567 -0.009295 0.203779 27O 3pz 0.132311 0.170748 0.151094 -0.430125 0.106089 0.098642 27O 3px 0.611080 0.957603 0.681171 -0.288008 0.503466 -0.250271 27O 3py -0.207871 -0.612643 -0.248040 0.613197 -0.208715 -0.105160 27O 1dz2 -0.000383 -0.001334 -0.001239 0.000186 -0.002826 0.001605 27O 1dxz 0.003687 0.003712 -0.001517 -0.001991 0.000762 0.001834 27O 1dyz 0.000032 -0.000246 -0.000009 -0.001456 -0.000932 -0.005625 27O 1dx2y2 0.004443 0.002160 -0.000257 0.002478 -0.001515 -0.005015 27O 1dxy -0.001503 -0.001367 -0.003526 0.006289 -0.003021 0.001178 27O 2dz2 -0.042599 0.058967 0.041256 -0.008809 0.037229 -0.101832 27O 2dxz -0.001097 0.018726 -0.005920 0.002343 -0.051182 0.025927 27O 2dyz 0.019570 -0.059918 -0.044200 -0.063369 -0.079003 0.024384 27O 2dx2y2 -0.124516 -0.115138 -0.151625 -0.051243 -0.026558 0.006327 27O 2dxy 0.048597 0.065952 0.071094 0.036210 0.023241 -0.025657 27O 1f0 -0.001525 -0.002878 0.005007 0.001288 0.001920 0.000742 27O 1f+1 -0.005376 -0.009989 -0.008953 -0.004928 -0.000678 -0.000617 27O 1f-1 0.002435 0.000030 0.002502 -0.000347 -0.000416 0.001236 27O 1f+2 0.000518 0.003948 -0.005181 0.002183 -0.001507 0.001706 27O 1f-2 0.001587 0.001033 0.005695 -0.000575 0.003812 0.000045 27O 1f+3 -0.004959 -0.014180 -0.010139 -0.009496 -0.001746 -0.002756 27O 1f-3 0.002855 0.005205 0.011358 0.000779 0.003499 -0.002444 28O 1s -0.004297 0.004336 0.003629 0.002586 0.005462 0.001316 28O 2s -0.013386 0.009248 0.006771 0.007645 0.012170 0.000829 28O 3s 0.082383 0.038069 0.064501 -0.032080 0.039360 0.082817 28O 4s -0.013992 -0.468166 -0.541343 0.074855 -0.512413 -0.539708 28O 5s -0.778844 -0.102919 -1.190471 -0.322371 -0.902160 -2.728927 28O 1pz -0.073516 0.004141 0.002468 -0.023648 -0.013769 0.037571 28O 1px 0.092255 -0.009096 -0.004966 0.001918 -0.045273 -0.033584 28O 1py -0.021946 -0.018675 -0.004265 -0.029861 -0.025875 0.003375 28O 2pz -0.013469 0.199865 0.256035 -0.040904 0.290322 0.400950 28O 2px -0.030777 -0.233646 -0.317806 0.033344 -0.403319 -0.368761 28O 2py -0.031795 0.005478 0.063362 -0.035846 0.012634 0.092660 28O 3pz 1.384487 -0.165493 0.518030 0.383635 -0.706681 0.995667 28O 3px -0.617420 -0.088937 -0.504266 -0.232464 -0.169992 -0.663120 28O 3py 0.578372 -0.200871 0.165940 0.127248 -0.479139 0.292648 28O 1dz2 0.007279 -0.001185 -0.000828 0.002055 -0.004741 0.004034 28O 1dxz -0.001135 -0.000316 -0.002292 -0.001141 0.000159 -0.007204 28O 1dyz 0.005764 -0.003522 -0.000038 0.002166 -0.002869 -0.000853 28O 1dx2y2 -0.003034 0.001517 0.002070 -0.001674 0.003863 0.000346 28O 1dxy -0.000949 0.003078 -0.002542 0.001619 0.003887 -0.003518 28O 2dz2 -0.009075 -0.028971 -0.039282 -0.026419 0.017881 -0.002291 28O 2dxz 0.134468 0.063659 0.097207 0.052626 0.091865 0.170987 28O 2dyz -0.012822 0.046957 0.042014 0.050965 0.070105 -0.036861 28O 2dx2y2 -0.127447 0.002096 -0.070591 0.050228 0.000230 -0.107651 28O 2dxy 0.032229 0.065208 0.079511 0.041348 0.045171 -0.010926 28O 1f0 -0.007330 -0.002804 -0.006361 -0.000306 -0.003674 -0.004833 28O 1f+1 -0.011525 -0.006948 -0.002362 -0.002443 -0.004573 -0.008671 28O 1f-1 -0.002211 -0.001628 -0.000294 -0.002249 -0.001386 0.000140 28O 1f+2 0.017063 0.005095 0.009917 0.002371 0.008813 0.007977 28O 1f-2 -0.003517 0.003781 -0.005483 0.003011 0.000511 -0.000838 28O 1f+3 0.006532 0.002454 0.004801 -0.000545 0.004462 0.003482 28O 1f-3 -0.004503 0.002349 -0.007011 -0.000336 0.002442 -0.002044 29O 1s -0.002481 -0.003395 -0.003286 -0.003080 0.003593 -0.000822 29O 2s -0.005955 -0.009979 -0.009822 -0.007317 0.008557 -0.001922 29O 3s -0.002154 0.039603 0.041433 0.001987 -0.001630 -0.001555 29O 4s 0.155559 -0.003013 -0.022855 0.129226 -0.174719 0.057536 29O 5s -0.353094 0.021538 0.087784 -0.241290 0.395381 -0.158191 29O 1pz 0.022611 0.011201 0.012851 -0.011853 -0.012922 -0.010589 29O 1px -0.016378 -0.039542 -0.045877 -0.007763 -0.003102 -0.006359 29O 1py 0.024399 -0.005502 0.000275 0.026134 -0.022972 0.018482 29O 2pz -0.022413 -0.007998 0.010772 0.030822 -0.013316 0.146216 29O 2px -0.010362 -0.022291 -0.012625 -0.005439 0.013552 0.053194 29O 2py -0.027294 0.003574 0.001841 0.007869 -0.003610 -0.021814 29O 3pz 0.150222 -0.136540 -0.005318 -0.030847 0.224715 0.045952 29O 3px 0.040077 0.015374 0.067907 0.364241 -0.262060 0.002170 29O 3py 0.148884 0.042749 -0.015655 -0.225342 0.130465 0.060128 29O 1dz2 -0.000562 -0.000840 0.000126 0.003574 0.000816 -0.000181 29O 1dxz -0.002294 0.000677 -0.000932 -0.001209 -0.005110 -0.001327 29O 1dyz -0.000247 0.000621 -0.000253 -0.001733 -0.000538 0.000684 29O 1dx2y2 0.000818 0.000697 0.000635 -0.003056 -0.000098 -0.000128 29O 1dxy -0.000869 0.000109 0.000295 0.002199 -0.001523 -0.000079 29O 2dz2 -0.024379 0.017443 0.030312 0.069832 0.001961 -0.080651 29O 2dxz 0.028413 -0.009788 -0.028696 0.011064 -0.120868 0.043814 29O 2dyz 0.011315 0.049589 -0.019636 -0.092971 -0.032759 -0.174282 29O 2dx2y2 0.001227 0.009125 0.008271 -0.053761 0.010825 -0.012995 29O 2dxy -0.017872 -0.010514 -0.034391 0.012008 -0.044662 -0.055752 29O 1f0 -0.000820 0.000572 0.001006 -0.000914 0.001886 0.000577 29O 1f+1 0.000757 -0.001022 -0.000616 0.001587 0.000117 0.001706 29O 1f-1 -0.001494 -0.001350 -0.000116 0.001289 0.000875 0.005624 29O 1f+2 -0.000006 -0.000246 -0.001310 -0.000252 -0.001838 -0.003169 29O 1f-2 -0.001019 0.001304 -0.000165 -0.003367 0.000768 -0.007805 29O 1f+3 -0.000229 -0.001055 -0.001089 0.001567 -0.000147 0.002489 29O 1f-3 0.001275 -0.000764 -0.000171 -0.000127 0.000765 0.004150 30O 1s -0.000403 0.002052 0.001320 -0.011996 -0.001429 0.002145 30O 2s -0.001915 0.003536 0.001129 -0.030611 -0.005275 0.006966 30O 3s 0.032949 0.048401 0.056693 0.077353 0.046958 -0.061200 30O 4s -0.158315 -0.377963 -0.355078 0.339999 -0.206480 0.192018 30O 5s -1.191475 -0.886618 -0.056154 -2.052145 -0.058937 2.373244 30O 1pz 0.001625 0.013768 -0.018536 -0.015445 0.021006 -0.038906 30O 1px 0.000155 -0.003529 0.021195 0.080662 0.020525 -0.009492 30O 1py -0.044121 -0.003618 -0.005887 -0.001025 -0.011133 0.037546 30O 2pz 0.119083 0.180953 0.076036 0.075680 0.083099 -0.155531 30O 2px -0.105017 -0.213621 -0.136299 0.008234 -0.095943 0.116991 30O 2py -0.143375 -0.154089 -0.120127 -0.095538 -0.089639 0.212843 30O 3pz 0.125292 0.221640 0.123925 0.891254 -0.190152 -0.753476 30O 3px -0.253887 -0.240376 -0.186140 -0.677615 0.075086 0.504759 30O 3py -0.287823 -0.139398 -0.147395 -1.074223 0.266998 0.968983 30O 1dz2 -0.001152 0.002222 -0.002134 0.002238 -0.000780 -0.002627 30O 1dxz -0.000778 -0.002355 0.002001 -0.001921 -0.000616 0.001387 30O 1dyz -0.000832 0.000385 0.000381 -0.001674 0.003678 0.004894 30O 1dx2y2 -0.002726 0.002006 -0.000311 -0.003211 0.000834 0.004999 30O 1dxy 0.002397 -0.000021 0.000527 0.002044 -0.000663 -0.005462 30O 2dz2 0.025176 -0.022411 -0.046274 -0.063055 0.007832 0.020961 30O 2dxz 0.066366 0.054004 0.041386 0.112097 0.008370 -0.009951 30O 2dyz -0.010798 0.009539 -0.013838 -0.018482 0.009839 -0.116159 30O 2dx2y2 0.037691 0.023656 0.035128 0.028515 -0.007065 0.077662 30O 2dxy -0.003655 -0.078745 -0.076283 -0.166127 0.037622 0.086153 30O 1f0 -0.000037 -0.002690 -0.003045 -0.007206 -0.001632 0.002034 30O 1f+1 -0.003196 -0.007044 0.002856 -0.007678 0.002536 0.001984 30O 1f-1 -0.002971 -0.001564 0.002939 -0.001503 -0.000658 -0.000538 30O 1f+2 0.001758 0.005247 0.001634 0.005488 -0.001698 -0.000252 30O 1f-2 0.003012 0.007623 0.005556 0.013688 0.001073 -0.005932 30O 1f+3 -0.002417 -0.000443 -0.005761 -0.005239 -0.001699 0.005160 30O 1f-3 0.002507 0.004073 0.008381 0.010530 0.001517 -0.004931 31O 1s -0.000083 0.001835 0.000928 0.012096 0.001280 0.002647 31O 2s -0.001086 0.002978 0.000141 0.030745 0.004836 0.008274 31O 3s 0.031572 0.049509 0.059154 -0.073955 -0.044389 -0.064525 31O 4s -0.170251 -0.369870 -0.343288 -0.364821 0.203495 0.179441 31O 5s -1.184411 -0.906064 -0.127657 1.993968 -0.045044 2.440036 31O 1pz -0.001549 -0.013369 0.019023 -0.016267 0.020677 0.039846 31O 1px 0.001932 0.001352 -0.024048 0.080267 0.019471 0.013366 31O 1py 0.042928 0.004204 0.005602 0.000420 -0.009662 -0.038270 31O 2pz -0.122959 -0.178707 -0.079113 0.066724 0.078568 0.157284 31O 2px 0.111998 0.208958 0.135733 0.019140 -0.093193 -0.114077 31O 2py 0.145375 0.153456 0.123131 -0.083724 -0.082207 -0.216118 31O 3pz -0.105018 -0.246268 -0.157141 0.870746 -0.226910 0.780416 31O 3px 0.247385 0.254257 0.213131 -0.661129 0.098258 -0.527484 31O 3py 0.260351 0.170302 0.191362 -1.052353 0.318283 -1.006426 31O 1dz2 -0.001182 0.002241 -0.002045 -0.002218 0.000816 -0.002630 31O 1dxz -0.000834 -0.002318 0.001904 0.001897 0.000586 0.001442 31O 1dyz -0.000730 0.000269 0.000300 0.001657 -0.003967 0.004950 31O 1dx2y2 -0.002589 0.001878 -0.000432 0.003197 -0.001205 0.005228 31O 1dxy 0.002280 0.000057 0.000625 -0.001869 0.000916 -0.005561 31O 2dz2 0.024217 -0.022390 -0.048058 0.060669 -0.006834 0.021428 31O 2dxz 0.066830 0.054837 0.045892 -0.110571 -0.005700 -0.012902 31O 2dyz -0.013546 0.010985 -0.014883 0.020943 -0.005732 -0.116744 31O 2dx2y2 0.039408 0.022304 0.036150 -0.029029 0.004019 0.077631 31O 2dxy -0.003280 -0.080121 -0.083255 0.161071 -0.039328 0.088973 31O 1f0 0.000004 0.002738 0.003324 -0.007031 -0.001538 -0.002193 31O 1f+1 0.003223 0.007114 -0.002606 -0.007709 0.002615 -0.001913 31O 1f-1 0.003050 0.001496 -0.002863 -0.001627 -0.000629 0.000577 31O 1f+2 -0.001845 -0.005258 -0.001855 0.005443 -0.001714 0.000249 31O 1f-2 -0.002929 -0.007807 -0.006064 0.013363 0.000788 0.006240 31O 1f+3 0.002308 0.000555 0.005946 -0.004928 -0.001450 -0.005479 31O 1f-3 -0.002483 -0.004144 -0.008819 0.010148 0.001294 0.005318 32O 1s -0.002275 -0.003608 -0.003434 0.002942 -0.003560 -0.000778 32O 2s -0.005415 -0.010524 -0.010186 0.006935 -0.008434 -0.001877 32O 3s -0.003612 0.040771 0.041861 -0.000960 0.000613 -0.000026 32O 4s 0.149128 0.005076 -0.017808 -0.126241 0.178001 0.049217 32O 5s -0.319909 -0.013480 0.075470 0.236512 -0.401250 -0.149719 32O 1pz -0.021521 -0.011668 -0.011992 -0.012766 -0.012904 0.010521 32O 1px 0.017105 0.039249 0.046326 -0.005932 -0.003254 0.005726 32O 1py -0.023728 0.004961 -0.001515 0.026407 -0.022599 -0.017993 32O 2pz 0.025752 0.004967 -0.011891 0.033263 -0.010270 -0.145966 32O 2px 0.009034 0.023453 0.013362 -0.004017 0.014381 -0.051525 32O 2py 0.029858 -0.005127 -0.002782 0.009214 -0.002967 0.016511 32O 3pz -0.157919 0.146292 0.005441 -0.024334 0.215764 -0.044388 32O 3px -0.025915 -0.033245 -0.083133 0.365154 -0.263868 0.010907 32O 3py -0.151859 -0.037165 0.023970 -0.227938 0.130939 -0.068725 32O 1dz2 -0.000449 -0.000881 0.000249 -0.003588 -0.000763 -0.000390 32O 1dxz -0.002451 0.000789 -0.000969 0.001240 0.005073 -0.001177 32O 1dyz -0.000299 0.000597 -0.000304 0.001657 0.000550 0.000763 32O 1dx2y2 0.000808 0.000742 0.000505 0.003105 0.000088 -0.000114 32O 1dxy -0.000945 0.000226 0.000355 -0.002174 0.001574 -0.000162 32O 2dz2 -0.019808 0.013779 0.032565 -0.070644 -0.001925 -0.080142 32O 2dxz 0.025860 -0.007758 -0.027481 -0.013762 0.120274 0.047788 32O 2dyz 0.009941 0.048558 -0.021889 0.094740 0.036882 -0.174107 32O 2dx2y2 0.000605 0.010038 0.006887 0.051641 -0.011122 -0.008610 32O 2dxy -0.020264 -0.010060 -0.033545 -0.013363 0.046484 -0.050532 32O 1f0 0.000855 -0.000789 -0.001009 -0.000946 0.001913 -0.000407 32O 1f+1 -0.000901 0.001138 0.000573 0.001724 0.000050 -0.001803 32O 1f-1 0.001755 0.001151 0.000027 0.001441 0.001058 -0.005655 32O 1f+2 -0.000218 0.000372 0.001317 -0.000321 -0.001933 0.003140 32O 1f-2 0.001031 -0.001292 0.000266 -0.003496 0.000699 0.007688 32O 1f+3 0.000189 0.001108 0.001054 0.001525 -0.000155 -0.002067 32O 1f-3 -0.001290 0.000809 0.000157 -0.000049 0.000802 -0.004166 33O 1s -0.004551 0.004448 0.003684 -0.002424 -0.005685 0.001245 33O 2s -0.014171 0.009653 0.006968 -0.007264 -0.012707 0.000587 33O 3s 0.087741 0.033849 0.063283 0.032290 -0.039952 0.083196 33O 4s -0.027980 -0.451566 -0.536273 -0.086106 0.532690 -0.540731 33O 5s -0.853722 -0.046711 -1.207730 0.360760 0.959346 -2.651575 33O 1pz 0.072355 -0.003315 -0.001441 -0.023240 -0.010848 -0.039712 33O 1px -0.092475 0.008738 0.004447 0.001690 -0.047755 0.032999 33O 1py 0.021712 0.018651 0.005400 -0.029673 -0.025704 -0.004597 33O 2pz -0.001359 -0.185494 -0.254872 -0.041884 0.303109 -0.393006 33O 2px 0.045949 0.219226 0.315928 0.037338 -0.414779 0.360390 33O 2py 0.028227 -0.002512 -0.062891 -0.035891 0.015771 -0.092095 33O 3pz -1.383157 0.154812 -0.535202 0.402149 -0.703705 -0.985011 33O 3px 0.632841 0.081481 0.517946 -0.236187 -0.176259 0.628635 33O 3py -0.574705 0.193650 -0.172793 0.136980 -0.486184 -0.304092 33O 1dz2 0.007168 -0.001101 -0.000755 -0.002243 0.004693 0.004069 33O 1dxz -0.001247 -0.000251 -0.002323 0.001284 0.000012 -0.007137 33O 1dyz 0.005662 -0.003428 0.000030 -0.002254 0.003100 -0.000844 33O 1dx2y2 -0.002988 0.001452 0.002014 0.001770 -0.003959 0.000228 33O 1dxy -0.000979 0.003119 -0.002496 -0.001551 -0.003896 -0.003659 33O 2dz2 -0.009415 -0.028090 -0.039458 0.024748 -0.016479 -0.003384 33O 2dxz 0.139962 0.059240 0.099667 -0.053455 -0.093524 0.164222 33O 2dyz -0.011109 0.044802 0.044564 -0.047439 -0.070163 -0.043470 33O 2dx2y2 -0.129279 0.003876 -0.069540 -0.048434 0.001235 -0.108639 33O 2dxy 0.034885 0.062474 0.082895 -0.038040 -0.046109 -0.016262 33O 1f0 0.007624 0.002580 0.006363 -0.000195 -0.003681 0.004607 33O 1f+1 0.011834 0.006715 0.002384 -0.002559 -0.004727 0.008357 33O 1f-1 0.002172 0.001660 0.000330 -0.002223 -0.001371 -0.000218 33O 1f+2 -0.017592 -0.004680 -0.010059 0.002278 0.008734 -0.007525 33O 1f-2 0.003674 -0.003868 0.005405 0.003096 0.000612 0.000949 33O 1f+3 -0.006806 -0.002244 -0.004824 -0.000601 0.004446 -0.003273 33O 1f-3 0.004678 -0.002492 0.007127 -0.000204 0.002518 0.002107 34O 1s 0.002030 0.000448 0.001953 -0.007181 -0.000920 -0.003654 34O 2s 0.003794 -0.001112 0.001833 -0.016025 -0.002979 -0.007665 34O 3s 0.040962 0.070158 0.084488 -0.039246 0.012722 -0.043807 34O 4s -0.331218 -0.349341 -0.490553 0.600936 -0.069489 0.561842 34O 5s -1.536229 -1.293569 -0.950865 0.855883 0.589829 1.799797 34O 1pz -0.023242 -0.013611 0.023461 -0.024815 -0.012018 -0.024101 34O 1px -0.023911 0.022188 0.035180 0.028200 -0.012888 0.094702 34O 1py -0.016354 -0.011543 -0.007931 0.057407 0.015300 -0.035730 34O 2pz -0.024729 -0.019220 0.065607 -0.035959 -0.011979 0.034670 34O 2px -0.317894 -0.295868 -0.359567 0.498503 -0.013737 0.472188 34O 2py 0.095730 0.042759 0.098872 -0.025504 -0.001208 -0.206889 34O 3pz -0.137859 -0.163307 -0.134370 -0.440165 0.119347 -0.116837 34O 3px -0.650851 -0.927947 -0.670741 -0.334892 0.517989 0.229164 34O 3py 0.227061 0.597464 0.226538 0.635667 -0.232280 0.135817 34O 1dz2 -0.000473 -0.001269 -0.001256 -0.000293 0.002833 0.001727 34O 1dxz 0.003800 0.003655 -0.001610 0.001938 -0.000824 0.002019 34O 1dyz 0.000060 -0.000253 -0.000032 0.001587 0.001126 -0.005611 34O 1dx2y2 0.004472 0.002215 -0.000165 -0.002394 0.001758 -0.004971 34O 1dxy -0.001568 -0.001311 -0.003300 -0.006519 0.003073 0.001137 34O 2dz2 -0.039909 0.056812 0.041803 0.013848 -0.038179 -0.105060 34O 2dxz -0.001027 0.019049 -0.005701 -0.002751 0.049502 0.028496 34O 2dyz 0.017592 -0.059158 -0.046312 0.061054 0.079731 0.026718 34O 2dx2y2 -0.128447 -0.113720 -0.153446 0.044988 0.027661 0.004436 34O 2dxy 0.049506 0.066798 0.071440 -0.032763 -0.022834 -0.025728 34O 1f0 0.001578 0.002867 -0.005084 0.001156 0.001983 -0.000503 34O 1f+1 0.005660 0.009890 0.009139 -0.004522 -0.000906 0.000659 34O 1f-1 -0.002437 -0.000019 -0.002508 -0.000408 -0.000372 -0.001215 34O 1f+2 -0.000575 -0.003917 0.005139 0.002338 -0.001449 -0.001816 34O 1f-2 -0.001575 -0.001039 -0.005673 -0.000813 0.003866 0.000088 34O 1f+3 0.005275 0.014111 0.010472 -0.009060 -0.002119 0.002781 34O 1f-3 -0.003085 -0.005110 -0.011385 0.000215 0.003607 0.002579 35O 1s 0.003563 -0.001802 -0.000869 0.003182 0.012167 0.000078 35O 2s 0.008705 -0.006683 -0.004017 0.009404 0.030344 -0.000732 35O 3s -0.010479 0.067547 0.065151 -0.043847 -0.062707 0.031330 35O 4s -0.274124 -0.148698 -0.235681 0.097921 -0.446044 -0.259554 35O 5s 1.652690 -0.891731 -1.714890 -0.055474 2.234839 -1.471843 35O 1pz 0.008511 -0.014174 0.005143 0.032432 0.039304 -0.049307 35O 1px -0.037016 0.049335 0.027736 -0.003135 -0.057655 -0.064061 35O 1py -0.029467 0.037966 -0.026053 0.001925 -0.022555 -0.043044 35O 2pz -0.000560 -0.030377 -0.032547 0.024316 0.101669 -0.145753 35O 2px -0.065188 -0.148498 -0.257909 0.089024 0.057132 -0.191618 35O 2py -0.032647 -0.005808 -0.179380 0.016552 0.046135 -0.145200 35O 3pz 0.853268 -0.401268 -0.288877 -0.140771 0.436912 -0.015974 35O 3px 1.018582 -0.682955 -0.741690 -0.266968 1.171743 -0.278833 35O 3py 0.918768 -0.663594 -0.391539 -0.181738 0.785050 -0.188693 35O 1dz2 -0.000843 0.001850 -0.001489 0.001027 0.000668 -0.003296 35O 1dxz -0.008534 0.004613 0.000848 0.001460 -0.004776 0.003108 35O 1dyz -0.005359 0.003621 0.001668 0.002501 -0.001057 -0.002167 35O 1dx2y2 0.001179 0.000468 -0.003149 -0.001163 -0.001106 0.001025 35O 1dxy -0.005057 0.000083 0.004580 0.004073 -0.001225 0.001515 35O 2dz2 0.000378 0.098579 0.109230 0.021506 -0.133242 -0.018610 35O 2dxz -0.047174 -0.025209 -0.050960 -0.028465 0.084520 -0.043624 35O 2dyz 0.022055 0.011616 -0.001401 0.030881 -0.111791 -0.011710 35O 2dx2y2 0.137303 -0.048917 -0.050932 0.000563 0.050666 0.041777 35O 2dxy 0.101409 -0.074066 -0.043000 -0.022225 0.088108 -0.022838 35O 1f0 -0.002912 0.004669 0.000524 -0.000211 -0.004194 0.002239 35O 1f+1 -0.005439 0.009827 0.009759 0.000922 -0.011935 -0.002410 35O 1f-1 -0.002919 0.003468 0.006775 0.001495 -0.003557 -0.001907 35O 1f+2 0.003332 -0.008284 -0.002254 0.001443 0.006884 -0.003763 35O 1f-2 0.001851 -0.001942 0.001178 0.002672 0.002029 -0.001231 35O 1f+3 -0.001307 0.009722 -0.003363 -0.002584 -0.007013 -0.001312 35O 1f-3 -0.008066 0.009550 0.013000 0.000117 -0.013518 -0.003316 312 313 314 315 316 317 1.46660 1.47266 1.47297 1.47948 1.48928 1.49608 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s 0.000709 -0.002173 0.000379 -0.000901 0.000428 0.000603 0Rh 2s -0.002578 0.007273 -0.001321 0.003669 -0.000521 -0.000047 0Rh 3s 0.002572 -0.008271 0.001410 -0.003031 0.002190 0.003504 0Rh 4s 0.012125 -0.034052 0.006176 -0.017366 0.002122 -0.000477 0Rh 5s -0.008507 0.018527 -0.003582 0.015301 0.008134 0.020649 0Rh 6s -0.043290 0.146389 -0.026635 0.049871 -0.049782 -0.088217 0Rh 7s 0.149555 -0.718547 0.166120 0.212839 0.393727 0.715702 0Rh 8s -0.097531 -0.429247 -0.000752 0.825020 0.008351 -0.045323 0Rh 1pz 0.002262 -0.002848 0.005238 0.009824 0.000740 0.003648 0Rh 1px 0.005666 0.001471 -0.002256 -0.024996 -0.004561 -0.005656 0Rh 1py -0.002094 -0.001698 0.003702 -0.001936 0.000985 0.003532 0Rh 2pz -0.007546 0.009576 -0.017437 -0.033041 -0.002699 -0.012782 0Rh 2px -0.018924 -0.005352 0.007808 0.084277 0.016512 0.021060 0Rh 2py 0.006908 0.005448 -0.012927 0.006139 -0.003737 -0.012320 0Rh 3pz -0.001969 0.000168 -0.003349 -0.000021 0.004689 0.010992 0Rh 3px -0.002997 0.009597 -0.004898 -0.005383 -0.024818 -0.043172 0Rh 3py 0.003227 0.006352 0.009601 0.007799 0.008187 0.008264 0Rh 4pz 0.056273 -0.057129 0.112485 0.195083 -0.004876 0.028901 0Rh 4px 0.125243 -0.015397 -0.023373 -0.469280 0.004575 0.052805 0Rh 4py -0.055768 -0.063195 0.039424 -0.067431 -0.006587 0.044553 0Rh 5pz -0.101443 0.080724 -0.160790 -0.333001 0.026435 -0.015174 0Rh 5px -0.223983 0.105000 0.004471 0.773166 -0.063011 -0.178424 0Rh 5py 0.098711 0.138972 -0.046187 0.108405 0.010509 -0.072156 0Rh 6pz 0.048737 0.244300 -0.422300 1.423759 -0.177259 -0.397177 0Rh 6px 1.005875 -1.885680 0.549863 -3.473408 0.672346 1.230913 0Rh 6py -0.107639 -0.883947 -0.666210 -0.142658 -0.175647 -0.435201 0Rh 1dz2 -0.004495 -0.006482 -0.000416 -0.001446 -0.017070 0.000100 0Rh 1dxz 0.003734 -0.005861 -0.006115 0.008981 -0.007731 -0.011057 0Rh 1dyz -0.017439 -0.009318 -0.000928 -0.008242 -0.030523 0.011317 0Rh 1dx2y2 0.002208 0.003723 0.002397 -0.009103 0.001108 0.015320 0Rh 1dxy -0.009758 -0.006141 0.010393 0.025627 0.003960 0.028613 0Rh 2dz2 0.000477 0.002642 -0.000290 0.000013 0.002283 0.001339 0Rh 2dxz -0.000649 0.002072 0.001611 -0.000517 0.002150 0.003294 0Rh 2dyz 0.003462 0.002002 0.000082 0.000975 0.002354 -0.000070 0Rh 2dx2y2 0.000328 -0.003013 -0.000098 0.000916 -0.001492 -0.003682 0Rh 2dxy 0.001190 -0.000238 -0.001298 -0.003131 -0.001208 -0.002729 0Rh 3dz2 0.008160 0.003207 0.002245 0.003178 0.029237 -0.005947 0Rh 3dxz -0.005605 0.004182 0.007170 -0.018571 0.008522 0.011221 0Rh 3dyz 0.024908 0.012596 0.001776 0.014766 0.059616 -0.025562 0Rh 3dx2y2 -0.006562 0.004956 -0.005147 0.017196 0.003890 -0.019264 0Rh 3dxy 0.017121 0.015197 -0.018207 -0.045506 -0.003943 -0.053896 0Rh 4dz2 0.011225 0.047559 -0.004887 0.004152 0.048955 0.016849 0Rh 4dxz -0.015910 0.040796 0.026016 -0.010749 0.036478 0.055546 0Rh 4dyz 0.064843 0.038131 0.002306 0.020744 0.066107 -0.013114 0Rh 4dx2y2 0.004584 -0.055044 -0.000876 0.013895 -0.020304 -0.064841 0Rh 4dxy 0.027141 0.000454 -0.028536 -0.065697 -0.020868 -0.068157 0Rh 5dz2 -0.036610 -0.259398 0.041843 -0.083063 -0.183451 -0.041944 0Rh 5dxz 0.106649 -0.243144 -0.057811 -0.084077 -0.124298 -0.193312 0Rh 5dyz -0.250761 -0.172722 -0.007497 -0.075757 -0.278721 0.059229 0Rh 5dx2y2 -0.071613 0.355391 -0.049573 0.124026 0.053018 0.216573 0Rh 5dxy -0.117436 0.044295 0.111846 0.243408 0.087526 0.286138 0Rh 1f0 -0.002274 0.015294 -0.020149 -0.018173 -0.055567 -0.058106 0Rh 1f+1 -0.000196 -0.001578 0.005520 0.009780 0.014349 0.010573 0Rh 1f-1 -0.010913 0.008679 -0.003345 -0.011781 -0.030767 -0.018144 0Rh 1f+2 0.015620 -0.026315 -0.016251 0.007939 -0.003438 0.019126 0Rh 1f-2 0.014946 0.011620 -0.009706 0.006938 0.008115 -0.031847 0Rh 1f+3 -0.013526 -0.021720 0.014678 0.005806 0.033793 0.059769 0Rh 1f-3 -0.009022 -0.008308 0.009397 0.033518 0.005843 0.046181 1Rh 1s -0.000716 0.002169 -0.000347 0.000902 0.000407 0.000599 1Rh 2s 0.002626 -0.007219 0.001111 -0.003696 -0.000452 -0.000044 1Rh 3s -0.002584 0.008282 -0.001352 0.003017 0.002106 0.003483 1Rh 4s -0.012356 0.033776 -0.005210 0.017503 0.001803 -0.000490 1Rh 5s 0.008887 -0.017846 0.002603 -0.015638 0.008273 0.020549 1Rh 6s 0.043117 -0.147908 0.022425 -0.049307 -0.048270 -0.087679 1Rh 7s -0.149096 0.741094 -0.068988 -0.215907 0.381120 0.710250 1Rh 8s 0.098348 0.406868 -0.124744 -0.826068 -0.004041 -0.054625 1Rh 1pz 0.002366 -0.004762 -0.004202 0.009568 -0.000637 -0.003654 1Rh 1px 0.005749 0.002191 0.002052 -0.025044 0.004309 0.005485 1Rh 1py -0.002197 -0.003131 -0.002775 -0.001966 -0.000998 -0.003425 1Rh 2pz -0.007886 0.015938 0.013967 -0.032182 0.002343 0.012784 1Rh 2px -0.019215 -0.007856 -0.006978 0.084455 -0.015659 -0.020490 1Rh 2py 0.007267 0.010427 0.009880 0.006246 0.003780 0.011962 1Rh 3pz -0.002185 0.001560 0.003056 0.000017 -0.004480 -0.010667 1Rh 3px -0.002696 0.011344 0.001567 -0.005734 0.024713 0.043286 1Rh 3py 0.002946 0.003104 -0.011414 0.007722 -0.008139 -0.008331 1Rh 4pz 0.059065 -0.098674 -0.091063 0.189877 0.006208 -0.030116 1Rh 4px 0.125694 -0.008205 0.034542 -0.468913 -0.009024 -0.056539 1Rh 4py -0.056753 -0.079599 -0.012191 -0.067760 0.006135 -0.042184 1Rh 5pz -0.105791 0.140325 0.131293 -0.325060 -0.028927 0.016983 1Rh 5px -0.223924 0.101098 -0.049976 0.772085 0.069435 0.184218 1Rh 5py 0.099449 0.157032 -0.009173 0.108845 -0.009896 0.068359 1Rh 6pz 0.042397 0.397714 0.294796 1.442084 0.198960 0.408953 1Rh 6px 0.991438 -1.969291 0.133599 -3.462903 -0.684190 -1.243127 1Rh 6py -0.077765 -0.599913 0.923256 -0.138956 0.179232 0.433717 1Rh 1dz2 0.004458 0.005477 -0.002627 0.001440 -0.016983 0.000273 1Rh 1dxz -0.003835 0.003071 -0.007224 -0.008840 -0.008201 -0.011475 1Rh 1dyz 0.017906 0.006862 -0.004216 0.008374 -0.030805 0.011468 1Rh 1dx2y2 -0.002160 -0.002791 0.003250 0.009337 0.001054 0.015216 1Rh 1dxy 0.010177 0.008673 0.008241 -0.025649 0.003466 0.028607 1Rh 2dz2 -0.000457 -0.002503 0.000595 -0.000006 0.002312 0.001344 1Rh 2dxz 0.000667 -0.001298 0.002107 0.000505 0.002207 0.003353 1Rh 2dyz -0.003595 -0.001508 0.000780 -0.000920 0.002433 -0.000073 1Rh 2dx2y2 -0.000354 0.002829 -0.001018 -0.000921 -0.001509 -0.003688 1Rh 2dxy -0.001285 -0.000015 -0.001363 0.003164 -0.001144 -0.002737 1Rh 3dz2 -0.008160 -0.001511 0.003412 -0.003194 0.028907 -0.006371 1Rh 3dxz 0.005760 -0.001105 0.007461 0.018301 0.009359 0.011926 1Rh 3dyz -0.025402 -0.009112 0.006259 -0.015301 0.059919 -0.025896 1Rh 3dx2y2 0.006563 -0.006292 -0.002967 -0.017709 0.004093 -0.018990 1Rh 3dxy -0.017671 -0.019899 -0.012971 0.045415 -0.003081 -0.053854 1Rh 4dz2 -0.010944 -0.044774 0.011130 -0.004054 0.049346 0.016804 1Rh 4dxz 0.016236 -0.027761 0.036183 0.010390 0.037683 0.056737 1Rh 4dyz -0.067081 -0.028678 0.015573 -0.020174 0.067526 -0.013278 1Rh 4dx2y2 -0.004975 0.051976 -0.017789 -0.014178 -0.020523 -0.064856 1Rh 4dxy -0.028874 -0.006685 -0.027899 0.066166 -0.019565 -0.068201 1Rh 5dz2 0.036088 0.251205 -0.046740 0.082491 -0.186017 -0.042464 1Rh 5dxz -0.107678 0.202638 -0.128548 0.086341 -0.127988 -0.197065 1Rh 5dyz 0.258480 0.134315 -0.067189 0.073930 -0.285523 0.059133 1Rh 5dx2y2 0.072716 -0.353296 0.066721 -0.123351 0.053703 0.216646 1Rh 5dxy 0.124399 -0.017108 0.122747 -0.245198 0.083087 0.285429 1Rh 1f0 -0.001544 0.021387 0.014638 -0.019103 0.055876 0.059104 1Rh 1f+1 -0.000444 -0.003538 -0.004966 0.009445 -0.014188 -0.009596 1Rh 1f-1 -0.009940 0.006850 0.000435 -0.011813 0.030364 0.017331 1Rh 1f+2 0.015314 -0.018995 0.023673 0.008247 0.004509 -0.017823 1Rh 1f-2 0.014313 0.014313 0.004277 0.007797 -0.008288 0.031651 1Rh 1f+3 -0.013627 -0.026370 -0.006665 0.006038 -0.033862 -0.059839 1Rh 1f-3 -0.009149 -0.012385 -0.006621 0.033121 -0.005035 -0.046312 2C 1s 0.009532 -0.019638 0.014793 -0.012183 0.038488 -0.027799 2C 2s 0.029382 -0.061967 0.046518 -0.037470 0.119320 -0.087818 2C 3s -0.297692 0.678389 -0.492721 0.298244 -1.102760 0.938451 2C 4s 0.677447 -1.735443 1.241041 -0.503545 2.242714 -2.333237 2C 5s -1.015914 -0.109774 -0.622495 2.200978 -5.663540 4.641072 2C 1pz -0.110356 -0.108455 0.195808 0.059345 0.010200 -0.069234 2C 1px -0.093411 -0.120065 0.148807 -0.023338 0.042856 -0.070855 2C 1py 0.325718 -0.075829 -0.227956 0.005789 0.015721 -0.019565 2C 2pz 0.230415 0.330075 -0.555404 0.131963 -0.447833 0.127057 2C 2px 0.269966 0.156576 -0.313737 -0.048773 -0.173364 0.239657 2C 2py -1.010038 0.146736 0.675819 0.106695 -0.306734 0.092102 2C 3pz -0.080456 -0.495634 0.199521 0.274341 -0.456644 0.462032 2C 3px -0.075360 -0.274794 0.144946 0.025076 0.033218 -0.009689 2C 3py 0.237532 -0.349634 0.056508 0.227254 -0.390135 0.224767 2C 1dz2 0.003935 -0.005350 -0.011333 -0.010460 0.004523 0.014690 2C 1dxz -0.003131 0.014959 -0.008139 0.012687 -0.000002 0.000776 2C 1dyz -0.007171 0.008806 0.005031 0.000819 -0.000951 0.000892 2C 1dx2y2 0.006737 0.004613 -0.012500 -0.006193 0.003345 -0.000180 2C 1dxy 0.009838 0.016405 -0.017161 0.006252 0.005053 -0.000039 2C 2dz2 -0.219337 0.167421 0.021172 0.057112 -0.135893 -0.056565 2C 2dxz -0.434469 -0.186090 0.415163 -0.011842 -0.053376 0.067323 2C 2dyz 0.023510 0.233553 -0.175767 -0.003112 -0.114382 0.024686 2C 2dx2y2 -0.125027 -0.020330 0.126386 -0.024939 0.018334 -0.054581 2C 2dxy 0.298193 -0.054547 -0.231671 -0.059973 0.029294 0.074189 2C 1f0 -0.022454 -0.002655 0.023516 0.003661 0.009055 -0.016898 2C 1f+1 0.013807 -0.001749 -0.012581 -0.005731 0.001911 -0.003874 2C 1f-1 0.002435 -0.016206 0.008505 0.017794 -0.006666 -0.012478 2C 1f+2 -0.027339 0.019849 -0.002645 0.000439 -0.023975 0.033405 2C 1f-2 -0.002470 -0.040468 0.039877 -0.006379 0.030449 -0.029393 2C 1f+3 -0.032940 0.021295 0.003174 0.012172 -0.037686 0.035794 2C 1f-3 0.013141 0.018703 -0.021824 0.004109 -0.003938 0.000704 3C 1s 0.023505 0.007708 0.010548 0.025875 -0.035075 0.022089 3C 2s 0.073831 0.024373 0.032840 0.080977 -0.110230 0.067845 3C 3s -0.816916 -0.252941 -0.353799 -0.767900 1.106818 -0.545002 3C 4s 2.144684 0.624124 0.944683 1.746621 -2.550941 0.805196 3C 5s -0.197576 -0.720998 -0.467232 -1.925761 5.667604 -3.108932 3C 1pz 0.023988 0.219589 -0.255867 -0.128241 0.062006 0.002609 3C 1px 0.078722 0.029346 -0.078219 -0.040795 -0.078475 -0.060834 3C 1py -0.187181 0.061982 -0.218585 -0.134477 0.074291 0.030838 3C 2pz -0.042532 -0.613602 0.767581 0.334061 -0.051072 -0.236943 3C 2px -0.094510 -0.253024 0.218916 -0.108186 0.219919 -0.043935 3C 2py 0.467989 -0.215719 0.556254 0.506881 -0.325608 0.339230 3C 3pz 0.305883 0.235255 0.025206 -0.083715 0.407386 -0.231874 3C 3px 0.262927 0.018711 -0.102020 0.078030 0.017259 -0.229774 3C 3py -0.608631 0.003035 -0.168713 -0.179569 -0.508690 0.228730 3C 1dz2 0.011057 -0.010579 0.023691 0.004988 -0.004799 -0.008572 3C 1dxz -0.003568 0.004676 0.004281 0.007313 0.000202 -0.001227 3C 1dyz 0.005749 0.006615 -0.004061 0.007356 -0.000908 -0.004174 3C 1dx2y2 -0.003888 0.012854 0.001530 0.010585 -0.007443 -0.004872 3C 1dxy 0.012933 -0.006940 0.000189 -0.012110 0.000089 -0.000971 3C 2dz2 0.018710 0.021461 0.086102 0.062483 0.021255 0.048672 3C 2dxz -0.030161 0.026956 -0.207430 -0.140510 -0.025279 -0.111951 3C 2dyz 0.298340 -0.235748 0.310245 0.246372 -0.113706 -0.024121 3C 2dx2y2 0.076914 0.225745 -0.343665 -0.159438 -0.032520 0.064882 3C 2dxy -0.007858 0.265219 -0.136682 0.019157 0.049279 0.145589 3C 1f0 0.001647 0.024696 -0.023952 0.005467 -0.018621 0.022754 3C 1f+1 -0.004344 0.013690 -0.010498 0.003695 -0.010978 0.006935 3C 1f-1 0.026606 -0.015416 0.030775 0.028635 -0.026698 0.004615 3C 1f+2 -0.049396 -0.014821 -0.023815 -0.030567 0.037361 -0.007936 3C 1f-2 -0.034681 -0.009413 -0.006831 -0.007468 0.030425 -0.001845 3C 1f+3 0.005543 0.006190 -0.017478 -0.018245 -0.006765 -0.014479 3C 1f-3 0.014485 -0.002576 0.002057 0.004462 -0.011543 -0.005676 4C 1s 0.007790 -0.002982 0.001635 -0.020074 0.026278 -0.004661 4C 2s 0.023678 -0.009689 0.005467 -0.061564 0.080093 -0.013950 4C 3s -0.253869 0.205531 -0.090326 0.619018 -0.811787 0.069687 4C 4s 0.895582 -1.184129 0.369846 -1.423347 1.855819 -0.403035 4C 5s 0.260766 0.780745 -0.234152 -0.967473 0.576395 -0.622933 4C 1pz -0.287229 -0.016641 0.203367 0.072615 -0.132356 -0.102798 4C 1px -0.229630 -0.141368 0.205396 -0.046988 -0.099525 -0.030729 4C 1py 0.474835 0.056226 -0.368138 -0.018914 0.079203 0.118991 4C 2pz 0.407859 -0.116115 -0.312543 -0.260334 0.195382 -0.219093 4C 2px 0.429280 0.299909 -0.109653 0.057727 0.634833 0.470768 4C 2py -0.700164 -0.135883 0.700520 0.002780 0.041070 -0.271327 4C 3pz -0.258124 -1.480504 0.844550 0.664921 -2.397427 1.820538 4C 3px -0.013405 0.556126 -0.202854 0.216476 -0.366039 0.156690 4C 3py 0.372973 -0.670729 -0.389326 0.362232 -1.360401 1.462056 4C 1dz2 -0.016093 0.004928 0.020565 0.002800 0.002768 0.000014 4C 1dxz -0.005785 0.003777 0.008496 0.003771 -0.004358 -0.001549 4C 1dyz 0.006415 0.005104 -0.012646 -0.008388 0.011459 0.004661 4C 1dx2y2 0.000432 -0.010942 0.016059 0.005184 -0.004455 -0.008925 4C 1dxy 0.000616 -0.001984 0.004641 -0.003872 0.008271 0.005388 4C 2dz2 0.014668 0.293062 -0.189021 0.154456 -0.020260 -0.197674 4C 2dxz 0.040953 -0.400788 0.304377 -0.280938 0.187684 0.271356 4C 2dyz 0.056736 0.048837 -0.059915 -0.101582 0.169264 0.125879 4C 2dx2y2 -0.060317 -0.116801 0.152513 -0.037910 -0.046767 0.089287 4C 2dxy -0.054870 -0.384618 0.343139 -0.259709 0.157001 0.318490 4C 1f0 -0.012252 -0.000199 0.004877 -0.003206 -0.005245 0.009941 4C 1f+1 -0.005602 0.015362 -0.014470 0.024320 -0.033361 -0.009413 4C 1f-1 0.000069 0.000289 0.002404 -0.018603 0.017029 -0.032758 4C 1f+2 0.003961 -0.013461 -0.005861 -0.005876 0.005047 -0.006928 4C 1f-2 -0.003212 0.012472 0.000730 0.004869 0.018115 -0.000910 4C 1f+3 -0.004847 -0.005166 0.005256 0.001235 0.006385 -0.011619 4C 1f-3 -0.005300 0.006472 -0.006652 0.022413 -0.037389 -0.004752 5C 1s 0.003346 0.007550 -0.001696 0.019129 -0.013040 0.025073 5C 2s 0.010564 0.023472 -0.005038 0.059281 -0.039833 0.076779 5C 3s -0.232818 -0.272696 0.026716 -0.672420 0.360582 -0.804357 5C 4s 1.302110 0.968379 -0.058035 1.893865 -0.984032 1.726884 5C 5s -0.928640 0.131290 0.069670 0.370456 -0.637506 0.139884 5C 1pz -0.157800 0.350295 -0.466061 -0.239461 0.032811 0.068603 5C 1px 0.056298 0.021712 -0.036806 -0.133568 0.072516 0.031213 5C 1py -0.074942 0.215757 -0.288925 -0.163648 0.044620 0.181510 5C 2pz 0.337504 -0.446562 0.970788 0.491598 0.050041 0.177786 5C 2px -0.057362 -0.048150 -0.456693 0.378660 -1.039844 -0.880700 5C 2py -0.041238 -0.420437 0.293269 0.091739 0.032011 -0.472088 5C 3pz 0.777241 0.057613 -0.380481 0.018002 1.591204 -0.698454 5C 3px 0.128206 0.634947 -0.076451 0.228141 0.798605 -0.506050 5C 3py -1.400017 0.087440 -0.733894 -0.541480 -2.301751 1.591329 5C 1dz2 -0.010127 0.001958 -0.023365 -0.011342 0.002984 -0.002983 5C 1dxz -0.007929 -0.006358 -0.005943 -0.005142 0.006943 0.010776 5C 1dyz 0.004744 -0.003051 0.011816 -0.003364 0.000440 -0.015450 5C 1dx2y2 0.007925 0.010010 -0.016273 -0.003012 0.001501 0.001050 5C 1dxy 0.005473 0.002443 -0.003179 -0.001264 0.001462 -0.001607 5C 2dz2 -0.158721 0.174730 -0.077238 -0.034514 0.087918 0.107125 5C 2dxz 0.029564 -0.246016 -0.187313 -0.232261 -0.187755 -0.128777 5C 2dyz 0.132240 -0.186749 -0.067040 -0.241688 -0.194517 -0.379937 5C 2dx2y2 0.255436 -0.244855 -0.008979 -0.051855 -0.141636 -0.315571 5C 2dxy -0.209532 0.399159 0.203283 0.300224 0.316815 0.259438 5C 1f0 -0.003932 0.000781 -0.021036 -0.027263 0.010605 -0.043944 5C 1f+1 -0.011239 -0.007564 0.010882 -0.018007 0.031237 -0.003688 5C 1f-1 -0.003093 -0.003693 -0.006051 0.006808 -0.002026 -0.003070 5C 1f+2 0.003478 0.001751 0.003857 -0.001211 0.026529 0.002878 5C 1f-2 0.017232 0.003164 0.011073 0.004262 0.022039 0.033320 5C 1f+3 -0.017113 -0.003451 0.002997 -0.004484 0.007530 -0.007730 5C 1f-3 0.004051 0.015736 -0.002036 0.032056 -0.011725 0.025636 6C 1s -0.003241 -0.007481 0.001299 -0.019023 -0.013200 0.025063 6C 2s -0.010239 -0.023156 0.004246 -0.058950 -0.040329 0.076690 6C 3s 0.224554 0.265991 -0.081650 0.670488 0.366607 -0.801621 6C 4s -1.274048 -0.945938 0.324906 -1.889551 -1.005332 1.717572 6C 5s 0.972903 -0.190266 0.105312 -0.394506 -0.657842 0.119183 6C 1pz -0.146008 0.481293 0.334899 -0.230619 -0.037571 -0.069059 6C 1px 0.059146 0.031838 0.028742 -0.132351 -0.075283 -0.030528 6C 1py -0.066362 0.294504 0.207657 -0.158425 -0.049053 -0.182391 6C 2pz 0.309107 -0.729828 -0.788092 0.480823 -0.040309 -0.168310 6C 2px -0.052784 0.125845 0.437035 0.363851 1.045884 0.877362 6C 2py -0.041478 -0.505028 -0.141344 0.081560 -0.027548 0.463562 6C 3pz 0.772274 0.201970 0.326638 0.056472 -1.589061 0.709869 6C 3px 0.102419 0.650653 -0.134792 0.254098 -0.794521 0.510804 6C 3py -1.354973 0.266603 0.707509 -0.575730 2.291611 -1.605993 6C 1dz2 0.009558 -0.009329 -0.021832 0.010932 0.003329 -0.002566 6C 1dxz 0.007790 0.003911 -0.007923 0.004955 0.006994 0.010899 6C 1dyz -0.004749 0.007092 0.010125 0.003688 0.000359 -0.015521 6C 1dx2y2 -0.008268 -0.014546 -0.012036 0.002670 0.001466 0.000884 6C 1dxy -0.005627 -0.003078 -0.002157 0.001300 0.001366 -0.001830 6C 2dz2 0.153002 -0.175954 -0.022077 0.032770 0.089849 0.111472 6C 2dxz -0.044368 0.183676 -0.257595 0.238999 -0.185142 -0.123062 6C 2dyz -0.139994 0.152949 -0.123735 0.247778 -0.192458 -0.380208 6C 2dx2y2 -0.247153 0.197535 -0.079328 0.051905 -0.142964 -0.323128 6C 2dxy 0.225018 -0.316222 0.319334 -0.311252 0.313295 0.255226 6C 1f0 -0.003083 0.007219 0.020213 -0.027034 -0.011115 0.043531 6C 1f+1 -0.010878 -0.011514 -0.007152 -0.017714 -0.031223 0.003866 6C 1f-1 -0.003079 -0.001461 0.006785 0.006840 0.002163 0.003079 6C 1f+2 0.003294 -0.000028 -0.004287 -0.000908 -0.026604 -0.002969 6C 1f-2 0.016708 -0.000667 -0.011865 0.004738 -0.021962 -0.033125 6C 1f+3 -0.016760 -0.004829 -0.001115 -0.004210 -0.007598 0.007413 6C 1f-3 0.003596 0.015877 -0.003835 0.032174 0.012122 -0.025394 7C 1s -0.007512 0.003440 0.000265 0.019606 0.026624 -0.004625 7C 2s -0.022807 0.011238 0.001044 0.060132 0.081137 -0.013852 7C 3s 0.247903 -0.235111 -0.004270 -0.605900 -0.821835 0.070074 7C 4s -0.884650 1.273985 -0.076543 1.396968 1.872311 -0.413557 7C 5s -0.287048 -0.763324 -0.000711 0.987032 0.586684 -0.631478 7C 1pz -0.287566 -0.078633 -0.183251 0.065921 0.134272 0.108176 7C 1px -0.227532 -0.208220 -0.141383 -0.052571 0.101882 0.031925 7C 1py 0.474606 0.169532 0.319282 -0.009220 -0.079740 -0.125386 7C 2pz 0.421722 -0.040963 0.335666 -0.247728 -0.199443 0.209057 7C 2px 0.417350 0.352587 -0.002310 0.055258 -0.632311 -0.458436 7C 2py -0.696833 -0.360545 -0.597869 -0.015789 -0.038632 0.285100 7C 3pz -0.220746 -1.759296 -0.291679 0.595853 2.421405 -1.804004 7C 3px -0.009018 0.613311 0.009879 0.209900 0.355298 -0.152468 7C 3py 0.403022 -0.560511 0.588310 0.342277 1.369600 -1.472796 7C 1dz2 0.016296 0.002308 0.020774 -0.002474 0.002885 0.000158 7C 1dxz 0.005629 -0.000699 0.009129 -0.003462 -0.004331 -0.001451 7C 1dyz -0.006590 -0.008358 -0.010321 0.008183 0.011684 0.004800 7C 1dx2y2 -0.000171 0.015554 0.011519 -0.004815 -0.004691 -0.009255 7C 1dxy -0.000512 0.003797 0.003600 0.003624 0.008180 0.005363 7C 2dz2 -0.007932 -0.355486 -0.074783 -0.165052 -0.013593 -0.193570 7C 2dxz -0.030077 0.466572 0.154899 0.287268 0.179059 0.265941 7C 2dyz -0.053938 -0.068165 -0.043174 0.097504 0.172696 0.127107 7C 2dx2y2 0.048378 0.186173 0.093330 0.047184 -0.049007 0.087459 7C 2dxy 0.052876 0.493679 0.187383 0.271939 0.150735 0.314364 7C 1f0 -0.012362 -0.001428 -0.004451 -0.003214 0.005755 -0.010088 7C 1f+1 -0.005560 0.020635 0.007802 0.023976 0.033686 0.009349 7C 1f-1 0.000565 -0.001174 -0.001874 -0.018456 -0.017285 0.032359 7C 1f+2 0.004384 -0.012145 0.010322 -0.005306 -0.005210 0.006738 7C 1f-2 -0.003536 0.012078 -0.004949 0.005135 -0.018188 0.000914 7C 1f+3 -0.004736 -0.007228 -0.003222 0.001544 -0.006502 0.011555 7C 1f-3 -0.005353 0.008366 0.003171 0.022343 0.037438 0.004302 8C 1s -0.022882 -0.004679 0.013349 -0.025419 -0.035645 0.022136 8C 2s -0.071903 -0.014919 0.041697 -0.079537 -0.112012 0.067928 8C 3s 0.796104 0.154316 -0.444742 0.753845 1.125556 -0.545198 8C 4s -2.084879 -0.378414 1.165614 -1.717631 -2.598670 0.801849 8C 5s 0.162932 0.584851 -0.711809 1.855855 5.719553 -3.123344 8C 1pz 0.027234 0.293635 0.172869 -0.122679 -0.064927 -0.004794 8C 1px 0.082119 0.053124 0.062189 -0.041019 0.077915 0.056464 8C 1py -0.181330 0.127822 0.191817 -0.130426 -0.079284 -0.032683 8C 2pz -0.057699 -0.825966 -0.532185 0.322257 0.060572 0.247293 8C 2px -0.102537 -0.304502 -0.118169 -0.109170 -0.219206 0.058664 8C 2py 0.455359 -0.391527 -0.471917 0.492730 0.340628 -0.339447 8C 3pz 0.297489 0.228193 -0.105574 -0.076714 -0.409879 0.231569 8C 3px 0.269199 0.048703 0.081265 0.077079 -0.017069 0.223323 8C 3py -0.600551 0.054918 0.171719 -0.185584 0.504748 -0.234611 8C 1dz2 -0.010776 0.017813 0.019290 -0.004421 -0.004990 -0.008716 8C 1dxz 0.003605 -0.003042 0.005448 -0.007052 0.000235 -0.001038 8C 1dyz -0.005710 -0.007684 -0.001583 -0.007450 -0.001101 -0.004126 8C 1dx2y2 0.004057 -0.011663 0.005780 -0.010562 -0.007592 -0.004942 8C 1dxy -0.013056 0.006469 -0.002020 0.012241 0.000197 -0.001091 8C 2dz2 -0.015372 0.005942 0.089044 -0.062321 0.018845 0.048077 8C 2dxz 0.024639 -0.101877 -0.192775 0.142844 -0.018686 -0.107946 8C 2dyz -0.291563 0.319890 0.224743 -0.238022 -0.120507 -0.023832 8C 2dx2y2 -0.086712 -0.320022 -0.249042 0.155184 -0.028037 0.071726 8C 2dxy 0.007769 -0.295657 -0.046468 -0.021961 0.050624 0.150812 8C 1f0 0.002201 0.030995 0.014350 0.005845 0.018734 -0.023272 8C 1f+1 -0.004927 0.015671 0.005716 0.003443 0.010329 -0.006536 8C 1f-1 0.025439 -0.023929 -0.025157 0.027883 0.027440 -0.004486 8C 1f+2 -0.047831 -0.008248 0.028346 -0.029904 -0.038229 0.008052 8C 1f-2 -0.034861 -0.007712 0.010833 -0.007686 -0.031624 0.002316 8C 1f+3 0.005759 0.011736 0.014873 -0.018472 0.005967 0.014088 8C 1f-3 0.014132 -0.002511 -0.001134 0.003887 0.011309 0.005726 9C 1s -0.009828 0.023708 0.006866 0.012219 0.038497 -0.027778 9C 2s -0.030334 0.074778 0.021556 0.037582 0.119312 -0.087770 9C 3s 0.309922 -0.812773 -0.223299 -0.302474 -1.100252 0.939197 9C 4s -0.719436 2.079241 0.555873 0.525786 2.231356 -2.338457 9C 5s 1.012017 -0.037201 -0.571755 -2.149818 -5.695073 4.641647 9C 1pz -0.113021 -0.164316 -0.147850 0.057064 -0.007647 0.068243 9C 1px -0.096293 -0.163169 -0.100671 -0.027011 -0.043021 0.069678 9C 1py 0.330283 0.004355 0.236536 0.006571 -0.015361 0.024667 9C 2pz 0.246483 0.480505 0.408243 0.130301 0.445782 -0.122928 9C 2px 0.278643 0.252298 0.245190 -0.042472 0.176967 -0.234174 9C 2py -1.015053 -0.094274 -0.675961 0.098930 0.310368 -0.103829 9C 3pz -0.074686 -0.549999 -0.025657 0.265736 0.463094 -0.466670 9C 3px -0.080271 -0.303493 -0.049797 0.022726 -0.034289 0.009803 9C 3py 0.247170 -0.359822 0.061016 0.214796 0.398032 -0.212562 9C 1dz2 -0.004349 0.001865 -0.012642 0.010225 0.004649 0.014874 9C 1dxz 0.003174 -0.017296 -0.002557 -0.012924 0.000266 0.000902 9C 1dyz 0.007465 -0.006624 0.007658 -0.000703 -0.000883 0.001009 9C 1dx2y2 -0.006517 -0.008221 -0.009913 0.005928 0.003480 -0.000303 9C 1dxy -0.009869 -0.021601 -0.010543 -0.006596 0.005253 -0.000089 9C 2dz2 0.215533 -0.150616 0.072684 -0.057118 -0.132690 -0.054085 9C 2dxz 0.433926 0.326280 0.322575 0.021245 -0.055552 0.068995 9C 2dyz -0.014907 -0.274547 -0.078153 -0.001397 -0.115208 0.022896 9C 2dx2y2 0.142654 0.059822 0.121747 0.022843 0.018058 -0.055713 9C 2dxy -0.299502 -0.022800 -0.231702 0.059623 0.026345 0.071341 9C 1f0 -0.023103 -0.009989 -0.021335 0.003422 -0.009127 0.016965 9C 1f+1 0.013782 0.002839 0.011959 -0.005750 -0.002072 0.004419 9C 1f-1 0.003107 -0.017835 -0.002307 0.017148 0.007543 0.012103 9C 1f+2 -0.027727 0.020441 -0.003418 0.000701 0.024853 -0.034788 9C 1f-2 -0.002425 -0.051195 -0.023307 -0.007177 -0.029614 0.028765 9C 1f+3 -0.033512 0.017658 -0.010858 0.011695 0.037073 -0.035353 9C 1f-3 0.011429 0.026500 0.013425 0.005328 0.005396 -0.002187 10H 1s 0.016347 -0.011177 0.000885 -0.019489 0.006560 -0.016896 10H 2s -0.422778 0.187537 0.044265 0.126626 -0.371206 0.368278 10H 3s 0.366347 -0.281023 0.169786 -0.356197 0.810354 -0.624528 10H 1pz -0.054631 0.032569 -0.010522 0.013608 -0.083445 0.054331 10H 1px 0.043129 -0.032073 0.008210 -0.006857 0.049196 -0.035209 10H 1py -0.042605 -0.029486 0.037870 -0.036145 -0.024750 0.054793 11H 1s 0.000990 -0.018683 0.014975 0.011310 -0.006911 0.001528 11H 2s 0.746075 0.590707 -1.062016 -0.048023 -0.333828 0.410491 11H 3s -0.243056 -0.449457 0.647880 -0.273269 0.925946 -0.765247 11H 1pz 0.071329 0.085200 -0.139424 -0.015271 -0.044884 0.044890 11H 1px 0.037525 0.088207 -0.112984 0.033875 -0.070099 0.082656 11H 1py -0.073849 0.006027 0.078701 -0.011858 0.074116 -0.040543 12H 1s 0.010829 -0.006637 -0.001430 0.008857 -0.007246 -0.019279 12H 2s -0.853774 0.457938 0.305658 0.028144 -0.462904 0.322171 12H 3s 0.636775 -0.359581 0.003752 -0.255895 0.939663 -0.733530 12H 1pz 0.028933 0.010457 -0.030596 0.006447 0.002700 -0.035971 12H 1px -0.047071 -0.013327 0.029589 0.005217 -0.083093 0.081041 12H 1py -0.152401 0.122603 0.039362 0.044132 -0.075195 0.059543 13H 1s 0.008618 -0.002900 -0.005447 -0.010891 -0.015597 -0.009126 13H 2s -0.342391 -0.354531 0.052830 -0.066940 0.251706 -0.331202 13H 3s 0.439367 0.314952 0.172600 0.343608 -0.677573 0.566230 13H 1pz -0.030808 -0.092506 0.030003 -0.067146 0.073383 -0.000196 13H 1px 0.063935 -0.002147 0.027114 0.002746 -0.000998 0.067579 13H 1py 0.042388 0.036553 -0.003715 0.026859 -0.051774 0.044290 14H 1s 0.010998 0.017191 0.002763 0.006999 -0.004307 -0.014466 14H 2s -0.398885 -0.532559 0.494422 0.010287 0.408436 -0.094758 14H 3s 0.410244 0.478292 -0.182044 0.423623 -0.922000 0.381218 14H 1pz -0.103086 -0.015581 0.028018 0.046820 -0.017267 -0.033671 14H 1px -0.053514 -0.093847 0.073423 -0.033840 0.122749 -0.020251 14H 1py 0.020352 -0.008883 0.022994 0.011092 0.002043 0.025447 15H 1s 0.028694 -0.001659 0.014302 0.005432 0.006832 -0.016160 15H 2s -0.720132 0.505377 -1.016494 -0.758566 0.519358 -0.035115 15H 3s 0.577724 -0.130221 0.560766 0.831357 -0.981808 0.427045 15H 1pz 0.036544 -0.048933 0.097438 0.078730 -0.104690 0.047256 15H 1px -0.051248 0.022610 -0.024756 0.009463 0.006726 -0.011046 15H 1py 0.133179 -0.040488 0.152106 0.123527 -0.082487 0.000198 16H 1s -0.011909 -0.013109 -0.000315 0.061281 -0.022778 0.001976 16H 2s 0.081837 0.129899 0.186406 -0.454853 0.406498 0.414129 16H 3s -0.110536 0.165737 -0.021863 0.127673 -0.108093 -0.068510 16H 1pz 0.015648 0.009490 0.002775 -0.053145 0.033011 0.017019 16H 1px -0.007739 0.045314 0.014283 -0.088379 -0.051242 -0.069195 16H 1py -0.003650 0.015579 -0.021178 -0.044309 -0.035401 -0.101212 17H 1s -0.011530 0.010853 0.003267 0.054180 0.020674 0.000295 17H 2s 0.106121 -0.022670 0.157183 -0.406169 0.163728 0.434365 17H 3s 0.017674 0.201635 -0.055872 0.129176 -0.040987 -0.126924 17H 1pz -0.021248 -0.015426 -0.012355 0.080783 0.010654 0.013993 17H 1px 0.010641 0.016748 -0.008643 -0.027099 -0.036078 -0.076060 17H 1py 0.006508 -0.025986 -0.029347 -0.039948 -0.085539 -0.087553 18H 1s 0.011920 -0.006848 0.007398 -0.054916 0.019895 0.000594 18H 2s -0.102238 0.066751 0.132929 0.407624 0.167682 0.434225 18H 3s -0.019589 -0.204090 0.015266 -0.128674 -0.039497 -0.126090 18H 1pz -0.021110 -0.010612 0.014413 0.079743 -0.011116 -0.015608 18H 1px 0.009647 0.018043 0.002697 -0.025085 0.035935 0.074984 18H 1py 0.005628 -0.010836 0.036527 -0.038515 0.086287 0.087963 19H 1s 0.013385 0.010751 -0.003202 -0.060132 -0.023347 0.001929 19H 2s -0.085478 -0.045687 0.207800 0.450050 0.412929 0.418178 19H 3s 0.110701 -0.169246 0.032850 -0.126581 -0.108774 -0.067820 19H 1pz 0.016701 0.006735 -0.005127 -0.051983 -0.033951 -0.019050 19H 1px -0.007562 0.037730 -0.027074 -0.091849 0.048691 0.067250 19H 1py -0.002201 0.021114 0.015045 -0.046088 0.033561 0.100729 20H 1s -0.027754 0.004822 0.013460 -0.005644 0.006072 -0.015866 20H 2s 0.692119 -0.790637 -0.821235 0.738453 0.543347 -0.028221 20H 3s -0.558379 0.292047 0.511099 -0.813136 -1.003890 0.424678 20H 1pz 0.034912 -0.077274 -0.078735 0.076381 0.107338 -0.046457 20H 1px -0.050995 0.028046 0.018609 0.009570 -0.007566 0.013053 20H 1py 0.128026 -0.084326 -0.134480 0.120303 0.085902 0.000724 21H 1s -0.010995 -0.015473 0.008616 -0.007009 -0.004375 -0.013959 21H 2s 0.407879 0.677918 0.286467 -0.009998 0.403403 -0.109897 21H 3s -0.405872 -0.532059 -0.000552 -0.415396 -0.928645 0.391512 21H 1pz -0.103151 -0.028238 -0.020076 0.046301 0.017480 0.034712 21H 1px -0.053858 -0.113974 -0.037553 -0.034269 -0.123335 0.022779 21H 1py 0.020130 -0.017113 -0.019312 0.010924 -0.001667 -0.024038 22H 1s -0.008632 0.000674 -0.006032 0.011021 -0.015899 -0.008871 22H 2s 0.336738 0.355658 -0.073799 0.070265 0.258217 -0.330864 22H 3s -0.422246 -0.261918 0.280314 -0.340035 -0.688957 0.564062 22H 1pz -0.028992 -0.098190 0.002735 -0.068012 -0.075104 0.000275 22H 1px 0.062439 -0.008742 -0.026395 0.002915 0.001810 -0.065885 22H 1py 0.042363 0.036687 -0.010538 0.026575 0.052820 -0.045372 23H 1s -0.010941 0.005663 -0.003479 -0.008477 -0.007746 -0.019280 23H 2s 0.872718 -0.333686 0.441505 -0.030687 -0.457273 0.327223 23H 3s -0.649626 0.333344 -0.123839 0.253968 0.940613 -0.741481 23H 1pz 0.031204 0.020557 0.025846 0.004627 -0.004230 0.038877 23H 1px -0.043379 -0.022513 -0.020965 0.003526 0.082993 -0.077709 23H 1py -0.157645 0.101609 -0.079824 0.044699 0.075370 -0.062352 24H 1s -0.001485 0.022049 0.007549 -0.010561 -0.006802 0.001517 24H 2s -0.745092 -0.918868 -0.787387 0.030992 -0.331361 0.405190 24H 3s 0.241972 0.633081 0.446774 0.272859 0.929863 -0.760699 24H 1pz 0.071235 0.128205 0.100720 -0.012795 0.043848 -0.043665 24H 1px 0.037559 0.119657 0.076166 0.036201 0.071721 -0.084852 24H 1py -0.076227 -0.021144 -0.074924 -0.010360 -0.072769 0.035810 25H 1s -0.016050 0.009552 -0.002895 0.019672 0.006553 -0.017377 25H 2s 0.415712 -0.152342 0.098052 -0.119804 -0.368495 0.373432 25H 3s -0.369588 0.325886 0.057595 0.352481 0.810462 -0.626114 25H 1pz -0.054033 0.030689 -0.000463 0.012466 0.083336 -0.055544 25H 1px 0.043326 -0.032939 0.003180 -0.005739 -0.048151 0.036075 25H 1py -0.041020 -0.040865 -0.024111 -0.035956 0.025082 -0.054654 26O 1s -0.004214 -0.005038 0.003283 0.000930 -0.002454 0.005092 26O 2s -0.010892 -0.011484 0.007284 0.003388 -0.009476 0.013446 26O 3s 0.027247 -0.013809 0.018309 -0.040429 0.100538 -0.019834 26O 4s 0.101212 0.376490 -0.323698 0.185434 -0.428792 -0.193261 26O 5s -0.471846 0.004348 -0.158216 0.523928 0.298802 -0.933418 26O 1pz -0.003215 0.019324 0.003426 0.026518 0.008567 -0.025437 26O 1px -0.017345 -0.037059 0.040116 -0.019602 -0.014985 0.043910 26O 1py 0.027799 0.001548 -0.029147 -0.002509 -0.023770 -0.028743 26O 2pz -0.016110 -0.042154 0.068136 0.002054 -0.025377 0.026999 26O 2px 0.028232 -0.251812 0.237895 -0.255487 0.232765 0.226601 26O 2py 0.082190 -0.115073 0.065891 -0.089960 0.086478 0.117754 26O 3pz 0.058000 0.661342 -0.486691 0.220282 0.299442 -0.343363 26O 3px 0.153155 0.319534 -0.258537 0.496559 0.080465 -0.145222 26O 3py 0.047732 0.583860 -0.186678 0.266184 0.279749 -0.197970 26O 1dz2 -0.003273 0.001499 0.000161 0.000739 -0.001746 -0.000744 26O 1dxz -0.003395 0.002473 0.000374 0.001913 -0.004525 -0.001018 26O 1dyz -0.001738 0.001686 -0.002831 0.002886 -0.005179 -0.001212 26O 1dx2y2 -0.003260 -0.003384 0.005618 -0.000639 0.002755 0.001915 26O 1dxy 0.003578 0.000600 -0.001896 0.001073 -0.001953 0.000661 26O 2dz2 0.091463 -0.006167 -0.105233 -0.091756 -0.008642 -0.100627 26O 2dxz -0.012855 0.006778 -0.037395 0.065208 -0.082713 0.029460 26O 2dyz -0.018778 -0.036249 0.090363 -0.027579 0.084542 0.086555 26O 2dx2y2 -0.028264 0.004060 -0.051566 -0.081543 -0.074300 -0.086921 26O 2dxy 0.037398 0.003673 -0.081094 0.044029 -0.155897 -0.096170 26O 1f0 0.002097 -0.000203 -0.003110 0.000713 -0.001451 -0.000427 26O 1f+1 -0.003671 -0.000902 0.000181 0.005508 -0.008098 -0.000614 26O 1f-1 -0.002690 -0.001356 0.003408 0.000645 -0.003969 0.001470 26O 1f+2 -0.005075 0.002663 0.002391 -0.002059 0.001861 -0.001619 26O 1f-2 -0.001119 -0.001720 0.002413 0.000912 -0.000687 0.000299 26O 1f+3 0.007630 0.003178 -0.008938 0.000854 -0.001692 0.001774 26O 1f-3 -0.007353 -0.000469 0.002358 0.005929 -0.011328 -0.003882 27O 1s 0.003896 -0.003017 -0.001218 -0.004013 -0.000341 -0.006923 27O 2s 0.009653 -0.005859 -0.003530 -0.010561 0.002046 -0.019083 27O 3s -0.002034 -0.025643 0.006334 0.033522 -0.079641 0.059517 27O 4s -0.205956 0.378212 0.003479 0.126547 0.460077 0.032179 27O 5s -0.363606 -0.572555 0.540824 -1.124962 -0.110539 1.233792 27O 1pz -0.007969 0.024751 -0.006477 -0.001682 0.004303 0.019716 27O 1px 0.027335 -0.030930 -0.004204 -0.055690 0.007647 -0.039610 27O 1py 0.029680 0.008102 -0.043290 -0.019878 -0.021043 -0.049457 27O 2pz 0.004936 0.052636 -0.023615 -0.011028 0.040352 -0.005055 27O 2px 0.200888 -0.181625 -0.096796 0.013748 -0.249230 -0.118728 27O 2py -0.075142 0.047329 -0.043190 -0.036752 0.024895 0.057795 27O 3pz -0.314257 0.197941 0.115184 -0.080206 -0.149272 0.255552 27O 3px -0.076257 0.909531 -0.249278 0.981453 -0.451691 -0.375819 27O 3py 0.420625 -0.477685 0.209025 -0.214495 0.331667 -0.170786 27O 1dz2 -0.001852 -0.000985 -0.000199 -0.000095 0.000948 0.003657 27O 1dxz -0.002072 0.005602 -0.003371 -0.003101 0.001710 -0.002560 27O 1dyz 0.000415 -0.002802 0.001450 -0.001586 -0.002555 0.000723 27O 1dx2y2 0.002140 0.001418 -0.003480 -0.001744 -0.004739 -0.003578 27O 1dxy -0.000114 -0.001230 -0.001167 -0.001249 -0.001344 0.007097 27O 2dz2 -0.004278 -0.052827 0.053544 0.075500 -0.030220 0.032729 27O 2dxz -0.030391 0.004628 -0.041990 0.023124 -0.008318 -0.082350 27O 2dyz -0.054664 -0.068774 -0.034122 -0.084081 0.034204 -0.050250 27O 2dx2y2 -0.048265 -0.057984 0.128125 -0.037990 0.153416 0.101398 27O 2dxy -0.006483 0.045624 -0.034868 0.020722 -0.100327 0.006987 27O 1f0 0.002368 -0.003005 0.004767 0.004775 -0.002742 -0.001660 27O 1f+1 -0.000694 -0.002438 0.004537 -0.003783 0.005407 -0.003345 27O 1f-1 0.000481 -0.001231 0.001489 0.002751 -0.001203 0.000736 27O 1f+2 -0.003690 0.004536 -0.004940 -0.001567 0.003397 0.004799 27O 1f-2 -0.000703 -0.000103 0.003845 0.003226 -0.001185 0.002477 27O 1f+3 -0.000179 -0.006137 0.008622 -0.004308 0.008008 -0.003515 27O 1f-3 0.000855 -0.001463 0.004229 0.007067 -0.003446 0.002995 28O 1s 0.001921 0.007213 -0.003762 0.004208 -0.003768 -0.001744 28O 2s 0.005891 0.016815 -0.009360 0.010821 -0.011319 -0.002840 28O 3s -0.027513 -0.004420 0.010236 -0.024185 0.062317 -0.034690 28O 4s 0.064829 -0.441856 0.180416 -0.184602 -0.193104 0.311123 28O 5s -0.120812 1.176147 -0.115067 0.693799 1.283089 -0.375988 28O 1pz -0.016955 0.012312 -0.011739 0.024853 -0.005722 -0.004107 28O 1px -0.003038 -0.036600 0.034220 -0.052794 0.031336 0.005259 28O 1py -0.021148 -0.025155 0.032187 -0.008022 0.038824 0.035440 28O 2pz -0.050836 0.031003 -0.054849 0.053669 -0.028271 -0.060090 28O 2px -0.000988 -0.136255 0.119270 -0.043602 -0.015954 0.098722 28O 2py -0.000190 -0.035086 -0.005489 0.025388 -0.012967 0.016330 28O 3pz 0.098022 -0.935070 0.467249 -0.600559 0.095370 -0.165583 28O 3px -0.252294 0.763308 -0.179002 0.594983 0.333173 0.255252 28O 3py 0.064161 -0.221315 0.141761 -0.202463 0.126738 -0.145140 28O 1dz2 -0.003003 -0.003547 0.002942 0.000547 -0.007322 0.000123 28O 1dxz 0.000565 0.003059 0.000006 -0.002647 0.003966 0.003321 28O 1dyz 0.002188 -0.001401 0.001100 -0.001131 -0.003774 0.004104 28O 1dx2y2 0.001498 -0.000021 -0.002013 -0.000212 0.000364 -0.003969 28O 1dxy -0.001233 0.001551 0.000378 -0.001806 0.001481 -0.000364 28O 2dz2 0.009956 -0.040630 0.005122 -0.031755 0.007478 0.086692 28O 2dxz 0.009327 -0.074508 0.018989 -0.053676 0.098094 0.000214 28O 2dyz 0.039637 -0.057075 0.033064 0.007182 0.007911 -0.026158 28O 2dx2y2 -0.005737 0.033536 0.040926 0.001741 0.154228 0.126808 28O 2dxy 0.045437 -0.050430 -0.032376 -0.041863 0.014324 -0.118330 28O 1f0 -0.002158 0.002062 0.000263 0.002002 -0.003195 0.000421 28O 1f+1 0.006546 0.003295 -0.006760 0.004242 -0.002388 0.000848 28O 1f-1 0.000104 0.000140 -0.002260 0.002879 -0.001422 0.001251 28O 1f+2 0.001566 -0.003993 0.001086 -0.005909 0.005507 -0.001930 28O 1f-2 -0.005943 -0.000721 0.004402 0.002569 -0.003037 -0.002649 28O 1f+3 0.001922 -0.001810 -0.001666 -0.001801 0.000582 -0.002407 28O 1f-3 -0.005370 -0.000053 0.003749 0.001561 -0.004443 -0.003309 29O 1s -0.002521 0.004576 -0.002065 0.008289 -0.004948 -0.008707 29O 2s -0.006391 0.010921 -0.004442 0.021372 -0.011826 -0.020928 29O 3s 0.012157 -0.005153 -0.008487 -0.050042 0.002563 0.004777 29O 4s 0.114571 -0.239779 0.185694 -0.381545 0.322308 0.558015 29O 5s -0.483017 0.689172 -0.564728 1.886370 -0.948745 -1.598160 29O 1pz 0.006361 -0.013539 0.005915 -0.002009 -0.001173 0.006432 29O 1px -0.002201 0.009631 -0.004115 0.016200 -0.005720 -0.003501 29O 1py 0.001348 -0.013030 0.000731 0.021024 0.014852 0.029100 29O 2pz 0.021931 0.007616 0.005427 -0.042908 0.069058 0.019032 29O 2px -0.021008 0.045277 -0.026909 0.086539 -0.032816 -0.080377 29O 2py 0.012196 -0.021092 -0.011202 -0.054354 -0.006622 -0.007728 29O 3pz -0.133934 0.257871 0.012164 0.096201 -0.033582 -0.132838 29O 3px 0.123151 -0.448794 0.111065 -0.480261 0.296971 0.477067 29O 3py 0.079843 0.139958 0.228902 -0.347516 0.280679 0.441879 29O 1dz2 -0.000667 -0.000563 0.000119 0.001395 0.000536 0.000133 29O 1dxz 0.000092 -0.002085 -0.000185 0.003846 0.000188 0.000893 29O 1dyz 0.000108 0.000388 0.000358 -0.000685 0.000423 0.000801 29O 1dx2y2 0.000665 -0.000095 -0.000653 -0.004540 -0.001307 -0.001173 29O 1dxy -0.000430 -0.001048 -0.001500 0.002304 -0.001280 -0.001372 29O 2dz2 -0.010716 -0.038929 -0.062397 0.074711 -0.114308 -0.133062 29O 2dxz -0.027521 -0.030265 -0.013465 0.109228 0.013272 0.017092 29O 2dyz -0.002113 -0.038050 0.006624 -0.027304 -0.057829 -0.001753 29O 2dx2y2 0.004355 -0.004323 -0.017750 -0.095638 -0.102716 -0.174129 29O 2dxy -0.009936 -0.007058 0.011188 0.094514 0.063503 0.130589 29O 1f0 0.001798 -0.000129 -0.000796 -0.009206 -0.001154 -0.002947 29O 1f+1 -0.000706 0.000610 0.000668 0.004475 0.001583 0.001576 29O 1f-1 0.001241 0.001132 -0.000054 -0.006118 0.002238 -0.000640 29O 1f+2 -0.001315 -0.000131 0.000660 0.006941 0.000147 0.001945 29O 1f-2 0.000846 -0.001229 -0.000488 -0.004416 -0.003765 -0.001387 29O 1f+3 -0.000902 0.001081 0.000665 0.005708 0.001068 0.000076 29O 1f-3 -0.000321 0.001158 0.000245 0.000023 0.000669 -0.001323 30O 1s -0.006226 0.001452 0.001333 -0.000671 0.004940 0.000862 30O 2s -0.015492 0.002118 0.002778 -0.002674 0.013629 -0.000414 30O 3s 0.027528 0.037016 0.020253 0.041933 -0.033826 0.084104 30O 4s 0.228576 -0.309550 -0.180986 -0.213206 -0.051606 -0.533817 30O 5s -0.897314 -0.137133 -0.765366 -0.797428 -1.641935 -0.265515 30O 1pz 0.001088 -0.002705 -0.002887 -0.002762 -0.001544 -0.005289 30O 1px 0.031739 -0.024440 -0.013032 -0.029658 -0.049742 -0.007914 30O 1py -0.017453 -0.012804 0.015872 -0.007455 0.033754 0.039201 30O 2pz 0.024422 0.139995 0.080447 0.155532 0.130831 0.193261 30O 2px 0.048348 -0.196176 -0.131034 -0.220816 -0.164931 -0.320945 30O 2py -0.060770 -0.114559 -0.122391 -0.185336 -0.129830 -0.169499 30O 3pz 0.310560 -0.286011 0.063483 -0.427720 -0.084921 0.075185 30O 3px -0.507203 0.069473 -0.205011 0.067018 -0.277292 -0.003599 30O 3py -0.378666 0.529085 -0.132051 0.487172 0.080732 -0.213165 30O 1dz2 -0.000539 0.001682 -0.002340 -0.001435 0.000832 0.000491 30O 1dxz -0.001019 -0.002579 -0.000303 0.000323 -0.001625 -0.002567 30O 1dyz -0.000985 0.002595 -0.000579 0.002315 -0.003916 0.004760 30O 1dx2y2 -0.000939 0.004498 -0.000808 0.002195 -0.000871 0.007882 30O 1dxy 0.002811 0.000057 0.002857 0.002293 0.001680 0.000627 30O 2dz2 0.011341 0.035361 0.056079 -0.033898 0.046739 -0.022339 30O 2dxz 0.058759 0.021987 0.034370 0.021269 0.013894 0.036823 30O 2dyz -0.028454 -0.001162 0.024269 -0.054039 0.048010 0.085548 30O 2dx2y2 -0.047692 -0.022691 -0.024595 0.085906 -0.127886 -0.057618 30O 2dxy -0.054645 0.002956 -0.067655 -0.118012 -0.037909 -0.203921 30O 1f0 -0.003078 -0.002539 -0.002749 -0.003629 -0.003831 -0.007637 30O 1f+1 0.003208 -0.003764 0.007430 0.001526 -0.000809 -0.004211 30O 1f-1 0.000091 -0.003647 0.002628 0.001870 -0.001563 -0.001898 30O 1f+2 0.000015 0.002529 -0.001951 -0.000054 -0.000584 0.005028 30O 1f-2 0.003267 0.003062 0.001311 0.003602 0.001578 0.011193 30O 1f+3 -0.001327 0.003883 -0.004089 -0.003276 0.002283 -0.000952 30O 1f-3 0.003764 -0.001102 0.007095 0.007179 0.001086 0.009475 31O 1s 0.006319 -0.000941 0.001524 0.000550 0.004835 0.000805 31O 2s 0.015680 -0.001078 0.002788 0.002357 0.013341 -0.000553 31O 3s -0.026135 -0.029251 0.032447 -0.041516 -0.033186 0.083903 31O 4s -0.242256 0.240007 -0.266888 0.217795 -0.049023 -0.530049 31O 5s 0.849517 -0.082239 -0.803554 0.833679 -1.632832 -0.240860 31O 1pz 0.000385 0.000197 0.003307 -0.002622 0.001641 0.005661 31O 1px 0.033066 -0.018698 0.019835 -0.031240 0.049364 0.008271 31O 1py -0.017038 -0.018919 -0.010353 -0.007623 -0.033297 -0.039016 31O 2pz 0.017547 0.108742 -0.123719 0.159989 -0.129551 -0.190364 31O 2px 0.057252 -0.143605 0.188859 -0.225808 0.163447 0.318501 31O 2py -0.051768 -0.073163 0.156573 -0.188607 0.128632 0.166920 31O 3pz 0.311804 -0.276338 0.027324 -0.427857 0.082189 -0.071210 31O 3px -0.498115 0.123581 0.180208 0.061193 0.272172 -0.003460 31O 3py -0.381068 0.530954 -0.041461 0.489181 -0.082388 0.203956 31O 1dz2 0.000492 -0.002426 -0.001662 0.001385 0.000863 0.000465 31O 1dxz 0.000992 0.002365 -0.001133 -0.000246 -0.001609 -0.002492 31O 1dyz 0.000988 -0.002584 0.000324 -0.002281 -0.003882 0.004854 31O 1dx2y2 0.000975 -0.004432 0.000716 -0.002228 -0.000882 0.007952 31O 1dxy -0.002669 0.000760 0.002828 -0.002329 0.001627 0.000547 31O 2dz2 -0.011315 -0.012613 0.062366 0.033159 0.046486 -0.024824 31O 2dxz -0.057575 -0.008737 0.040219 -0.023796 0.014205 0.037323 31O 2dyz 0.030555 0.006334 0.021541 0.053910 0.049431 0.085603 31O 2dx2y2 0.046487 0.014301 -0.030957 -0.085570 -0.129260 -0.057765 31O 2dxy 0.051534 -0.024593 -0.066812 0.118208 -0.035171 -0.202108 31O 1f0 -0.002944 -0.001444 0.003555 -0.003704 0.003837 0.007613 31O 1f+1 0.003036 -0.005998 -0.005863 0.001377 0.000870 0.004217 31O 1f-1 0.000014 -0.004192 -0.001358 0.001788 0.001587 0.001856 31O 1f+2 0.000075 0.002963 0.001033 0.000012 0.000582 -0.004994 31O 1f-2 0.003182 0.002450 -0.002373 0.003660 -0.001596 -0.011138 31O 1f+3 -0.001198 0.004902 0.002692 -0.003184 -0.002322 0.000928 31O 1f-3 0.003533 -0.003393 -0.006554 0.007150 -0.000984 -0.009354 32O 1s 0.002508 -0.005108 -0.000331 -0.008220 -0.004963 -0.008716 32O 2s 0.006402 -0.012009 -0.000300 -0.021176 -0.011872 -0.020934 32O 3s -0.013197 0.001540 -0.010584 0.049353 0.002964 0.004406 32O 4s -0.108822 0.296756 0.091538 0.380353 0.322779 0.561133 32O 5s 0.474889 -0.858313 -0.279014 -1.880674 -0.959534 -1.608019 32O 1pz 0.005974 -0.014583 -0.001239 -0.002339 0.001463 -0.005733 32O 1px -0.001712 0.010816 0.000655 0.015937 0.005843 0.003767 32O 1py 0.001488 -0.013726 0.003389 0.021339 -0.014194 -0.028812 32O 2pz 0.022728 0.001366 -0.006942 -0.038806 -0.068902 -0.019119 32O 2px -0.020936 0.050548 0.009311 0.087428 0.033736 0.080346 32O 2py 0.013778 -0.014339 0.018187 -0.054392 0.004793 0.008344 32O 3pz -0.131274 0.233897 -0.090091 0.098008 0.034057 0.137446 32O 3px 0.121400 -0.467404 0.048787 -0.475988 -0.295370 -0.475923 32O 3py 0.073288 0.051616 -0.255894 -0.348860 -0.287508 -0.446305 32O 1dz2 0.000658 0.000609 -0.000065 -0.001397 0.000504 0.000126 32O 1dxz -0.000075 0.001830 -0.000752 -0.003880 0.000077 0.000866 32O 1dyz -0.000096 -0.000207 0.000420 0.000665 0.000400 0.000794 32O 1dx2y2 -0.000617 -0.000150 -0.000695 0.004519 -0.001277 -0.001117 32O 1dxy 0.000404 0.000504 -0.001738 -0.002331 -0.001358 -0.001403 32O 2dz2 0.012079 0.011646 -0.068274 -0.074188 -0.112260 -0.133278 32O 2dxz 0.027350 0.025802 -0.021244 -0.108919 0.010249 0.014327 32O 2dyz 0.004986 0.033265 -0.009924 0.026214 -0.064268 -0.010467 32O 2dx2y2 -0.005312 -0.004807 -0.019406 0.097251 -0.101635 -0.175702 32O 2dxy 0.010063 0.009774 0.007827 -0.096045 0.060913 0.126611 32O 1f0 0.001816 0.000163 0.000940 -0.008768 0.001153 0.002903 32O 1f+1 -0.000808 0.000273 -0.000933 0.004819 -0.001669 -0.001674 32O 1f-1 0.001461 0.000945 -0.000161 -0.006278 -0.002245 0.000715 32O 1f+2 -0.001466 -0.000277 -0.000724 0.007144 -0.000045 -0.001920 32O 1f-2 0.000833 -0.000705 0.000892 -0.004334 0.003669 0.001315 32O 1f+3 -0.000887 0.000649 -0.001039 0.005612 -0.000917 -0.000085 32O 1f-3 -0.000280 0.000893 -0.000572 -0.000044 -0.000662 0.001375 33O 1s -0.001952 -0.008188 -0.001088 -0.004278 -0.003712 -0.001815 33O 2s -0.005947 -0.019409 -0.003038 -0.010956 -0.011226 -0.003098 33O 3s 0.026759 0.011338 0.006636 0.023199 0.063325 -0.032776 33O 4s -0.058765 0.465718 0.027736 0.195204 -0.201355 0.305265 33O 5s 0.159213 -1.244463 0.308681 -0.719030 1.282356 -0.379058 33O 1pz -0.016118 0.015457 0.007019 0.024232 0.005728 0.003325 33O 1px -0.003337 -0.046154 -0.019061 -0.053722 -0.030846 -0.005137 33O 1py -0.021952 -0.034791 -0.021843 -0.008018 -0.038354 -0.035247 33O 2pz -0.045087 0.037865 0.045338 0.055987 0.025689 0.058264 33O 2px -0.004832 -0.158117 -0.069955 -0.049318 0.021031 -0.095180 33O 2py 0.000706 -0.033894 0.016917 0.025719 0.012980 -0.017053 33O 3pz 0.102905 -1.089526 -0.120425 -0.609954 -0.083393 0.168995 33O 3px -0.263019 0.806120 -0.092703 0.603852 -0.334602 -0.255587 33O 3py 0.068231 -0.278514 -0.056838 -0.208106 -0.118249 0.147826 33O 1dz2 0.002893 0.004437 0.001534 -0.000322 -0.007403 0.000054 33O 1dxz -0.000470 -0.003089 0.000988 0.002594 0.004043 0.003354 33O 1dyz -0.002185 0.001796 0.000616 0.001209 -0.003818 0.004121 33O 1dx2y2 -0.001497 -0.000706 -0.001882 0.000126 0.000415 -0.003949 33O 1dxy 0.001272 -0.001542 0.000808 0.001796 0.001570 -0.000376 33O 2dz2 -0.010279 0.039899 -0.009881 0.031807 0.005129 0.082339 33O 2dxz -0.010196 0.083490 -0.008083 0.049758 0.098184 0.000155 33O 2dyz -0.038302 0.063786 0.013003 -0.007859 0.008332 -0.024889 33O 2dx2y2 0.008851 -0.022149 0.050585 -0.003127 0.152872 0.123523 33O 2dxy -0.046666 0.034951 -0.047670 0.042014 0.016004 -0.119190 33O 1f0 -0.002118 0.002129 -0.000933 0.001867 0.003234 -0.000315 33O 1f+1 0.006532 0.005646 0.005035 0.004317 0.002418 -0.000838 33O 1f-1 0.000107 0.000915 0.002041 0.002957 0.001452 -0.001236 33O 1f+2 0.001617 -0.004613 0.000446 -0.005774 -0.005595 0.001884 33O 1f-2 -0.005888 -0.001955 -0.003819 0.002427 0.003119 0.002788 33O 1f+3 0.001954 -0.001353 0.002192 -0.001686 -0.000639 0.002364 33O 1f-3 -0.005404 -0.001048 -0.003475 0.001446 0.004498 0.003374 34O 1s -0.003975 0.002383 -0.002077 0.004047 -0.000304 -0.007040 34O 2s -0.009879 0.004282 -0.005140 0.010581 0.002151 -0.019393 34O 3s 0.003065 0.024141 -0.001345 -0.032091 -0.080186 0.060120 34O 4s 0.205050 -0.338932 0.119109 -0.137128 0.460650 0.035643 34O 5s 0.337328 0.780871 0.294824 1.149972 -0.096012 1.246213 34O 1pz -0.007543 0.025046 -0.001119 -0.001100 -0.004691 -0.020489 34O 1px 0.027630 -0.025993 0.013901 -0.055972 -0.008726 0.038814 34O 1py 0.031263 0.020983 0.038225 -0.019974 0.020377 0.049488 34O 2pz 0.005291 0.058392 0.006187 -0.009709 -0.040650 0.004930 34O 2px 0.200230 -0.126377 0.143190 0.009807 0.250625 0.120303 34O 2py -0.072481 0.053192 0.028298 -0.035990 -0.026175 -0.058284 34O 3pz -0.322268 0.150664 -0.166518 -0.082182 0.148270 -0.255025 34O 3px -0.092771 0.966070 -0.076875 0.987429 0.461480 0.383617 34O 3py 0.429716 -0.531904 -0.048693 -0.220773 -0.335239 0.167926 34O 1dz2 0.001816 0.000969 -0.000548 0.000071 0.000948 0.003699 34O 1dxz 0.002030 -0.006389 -0.001507 0.002979 0.001793 -0.002556 34O 1dyz -0.000373 0.002964 0.000465 0.001652 -0.002598 0.000699 34O 1dx2y2 -0.002217 -0.002627 -0.002783 0.001773 -0.004723 -0.003563 34O 1dxy -0.000036 0.000946 -0.001520 0.001315 -0.001295 0.007168 34O 2dz2 0.006409 0.063485 0.035132 -0.071944 -0.033302 0.029565 34O 2dxz 0.029577 -0.017967 -0.038518 -0.024333 -0.009322 -0.083247 34O 2dyz 0.053518 0.054033 -0.057148 0.082389 0.035541 -0.049428 34O 2dx2y2 0.049488 0.099104 0.099382 0.037985 0.152385 0.098171 34O 2dxy 0.006194 -0.056361 -0.017518 -0.020362 -0.099419 0.008638 34O 1f0 0.002233 -0.004403 -0.003684 0.004635 0.002796 0.001682 34O 1f+1 -0.000710 -0.003857 -0.003383 -0.003755 -0.005452 0.003361 34O 1f-1 0.000463 -0.001710 -0.001084 0.002714 0.001238 -0.000729 34O 1f+2 -0.003573 0.005831 0.003325 -0.001385 -0.003481 -0.004776 34O 1f-2 -0.000865 -0.001352 -0.003643 0.003178 0.001211 -0.002434 34O 1f+3 -0.000258 -0.008695 -0.006059 -0.004331 -0.008004 0.003532 34O 1f-3 0.000595 -0.002581 -0.003675 0.006969 0.003540 -0.003002 35O 1s 0.004206 0.005913 0.001338 -0.000805 -0.002662 0.005066 35O 2s 0.010893 0.013380 0.002873 -0.003060 -0.009987 0.013416 35O 3s -0.027643 0.020315 0.011808 0.039923 0.101099 -0.020701 35O 4s -0.097404 -0.478129 -0.169989 -0.191207 -0.419880 -0.188295 35O 5s 0.480586 -0.077992 -0.125772 -0.558183 0.288368 -0.916368 35O 1pz -0.002955 0.015274 -0.010569 0.027190 -0.008883 0.025234 35O 1px -0.016726 -0.051293 -0.024811 -0.021390 0.015787 -0.044027 35O 1py 0.029164 0.009760 0.027183 -0.002960 0.023483 0.028761 35O 2pz -0.014191 -0.066785 -0.048568 -0.000773 0.025645 -0.026042 35O 2px 0.028689 -0.325669 -0.132940 -0.262759 -0.230496 -0.222274 35O 2py 0.084291 -0.137025 -0.020951 -0.093261 -0.086112 -0.116878 35O 3pz 0.058658 0.797577 0.236608 0.232818 -0.306593 0.343365 35O 3px 0.156333 0.394430 0.136780 0.496676 -0.078589 0.157562 35O 3py 0.041638 0.624734 -0.020209 0.274476 -0.281844 0.203397 35O 1dz2 0.003337 -0.001493 0.000671 -0.000789 -0.001673 -0.000660 35O 1dxz 0.003354 -0.002272 0.001148 -0.001835 -0.004523 -0.001075 35O 1dyz 0.001729 -0.002747 -0.002073 -0.002904 -0.005192 -0.001225 35O 1dx2y2 0.003294 0.005165 0.004084 0.000745 0.002680 0.001810 35O 1dxy -0.003593 -0.001228 -0.001557 -0.001048 -0.002002 0.000636 35O 2dz2 -0.093537 -0.031262 -0.103685 0.092386 -0.008089 -0.103301 35O 2dxz 0.013764 -0.022157 -0.030596 -0.064823 -0.083821 0.027179 35O 2dyz 0.020925 0.064664 0.071805 0.027221 0.085005 0.087407 35O 2dx2y2 0.026374 -0.019193 -0.049332 0.080844 -0.073874 -0.086633 35O 2dxy -0.039366 -0.030945 -0.073285 -0.043677 -0.155760 -0.094476 35O 1f0 0.002077 0.000834 0.002913 0.000778 0.001466 0.000407 35O 1f+1 -0.003599 -0.001043 0.000009 0.005453 0.008193 0.000571 35O 1f-1 -0.002656 -0.002469 -0.002733 0.000492 0.004010 -0.001437 35O 1f+2 -0.005126 0.001715 -0.002989 -0.002051 -0.001906 0.001652 35O 1f-2 -0.001134 -0.002439 -0.001704 0.000843 0.000716 -0.000238 35O 1f+3 0.007757 0.005762 0.007225 0.001030 0.001622 -0.001967 35O 1f-3 -0.007192 -0.001308 -0.002081 0.005774 0.011449 0.003817 318 319 320 321 322 323 1.51251 1.52290 1.52345 1.52930 1.53286 1.53645 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s 0.000717 0.000631 -0.000229 -0.000400 -0.000666 -0.000725 0Rh 2s -0.007771 -0.002509 0.004205 0.001819 0.002128 0.002689 0Rh 3s -0.000568 0.002157 0.001238 -0.001226 -0.002597 -0.002603 0Rh 4s 0.038415 0.011907 -0.021006 -0.008689 -0.009979 -0.012704 0Rh 5s -0.078294 -0.010489 0.048432 0.009344 0.004674 0.009317 0Rh 6s 0.093473 -0.032396 -0.076930 0.017856 0.045697 0.044293 0Rh 7s -0.480421 0.008784 0.429336 -0.115429 -0.465900 -0.110177 0Rh 8s -0.069312 -0.210604 0.012982 0.081357 0.134030 0.039224 0Rh 1pz 0.008368 -0.002059 0.006505 -0.003874 0.004953 0.000441 0Rh 1px -0.002834 0.006602 0.005017 -0.001444 0.002567 -0.003261 0Rh 1py 0.003747 -0.002302 -0.002304 0.000688 0.002348 0.000424 0Rh 2pz -0.028135 0.007026 -0.023465 0.013047 -0.016327 -0.001413 0Rh 2px 0.007594 -0.022185 -0.015790 0.004769 -0.009357 0.010802 0Rh 2py -0.013398 0.007642 0.008352 -0.002412 -0.008405 -0.001400 0Rh 3pz -0.000814 -0.002041 0.032270 -0.000119 -0.007041 -0.001281 0Rh 3px 0.040735 -0.000553 -0.023476 0.002029 0.015354 0.003845 0Rh 3py 0.016107 0.002602 -0.012272 0.002073 0.010431 -0.000811 0Rh 4pz 0.169306 -0.033034 0.012317 -0.076765 0.122474 0.012032 0Rh 4px -0.206297 0.132577 0.188578 -0.036881 -0.008451 -0.080682 0Rh 4py 0.016704 -0.057577 -0.001635 0.005506 0.007991 0.013021 0Rh 5pz -0.250013 0.047849 0.040341 0.132076 -0.188223 -0.014026 0Rh 5px 0.377955 -0.221986 -0.330754 0.068697 0.048905 0.151116 0Rh 5py -0.003274 0.109752 -0.014456 -0.003510 0.013097 -0.031388 0Rh 6pz -0.883536 -0.008504 -2.056298 -0.261370 -0.446337 0.002748 0Rh 6px -1.096850 0.931142 0.249617 -0.237287 -0.489586 -0.892728 0Rh 6py -0.844615 -0.256499 0.559051 -0.131330 -0.826967 0.158509 0Rh 1dz2 -0.001574 -0.003757 -0.003278 0.004949 0.003820 -0.003159 0Rh 1dxz 0.003630 -0.004502 0.009389 0.002604 0.000553 -0.000632 0Rh 1dyz 0.000630 0.000186 0.003264 -0.009415 0.003815 -0.004919 0Rh 1dx2y2 0.006772 0.001588 0.009923 0.004978 -0.005122 -0.003630 0Rh 1dxy 0.005501 0.000275 -0.000343 -0.000556 0.000673 -0.005177 0Rh 2dz2 0.000437 0.000644 0.001392 -0.000560 -0.001141 0.000240 0Rh 2dxz -0.001047 0.001111 -0.001361 -0.000881 0.000307 -0.000131 0Rh 2dyz 0.001256 -0.000374 0.000770 0.001986 0.000124 0.000009 0Rh 2dx2y2 -0.000284 -0.000513 -0.002351 -0.000936 0.001724 0.000550 0Rh 2dxy -0.000033 -0.000324 0.000414 0.000119 -0.000470 0.000493 0Rh 3dz2 0.001737 0.005905 0.001446 -0.009177 -0.003954 0.006268 0Rh 3dxz -0.003730 0.005587 -0.015844 -0.002260 -0.002529 0.002049 0Rh 3dyz -0.006769 0.001148 -0.010779 0.013181 -0.009319 0.011336 0Rh 3dx2y2 -0.014478 -0.001395 -0.012687 -0.007444 0.004438 0.006056 0Rh 3dxy -0.012542 0.000793 -0.000948 0.000783 0.000493 0.009883 0Rh 4dz2 0.007866 0.012153 0.024825 -0.010509 -0.018451 0.006750 0Rh 4dxz -0.021401 0.019924 -0.029551 -0.014270 0.002606 -0.000931 0Rh 4dyz 0.015355 -0.005198 0.006011 0.037384 -0.002199 0.004653 0Rh 4dx2y2 -0.008788 -0.008860 -0.043739 -0.018684 0.028268 0.010123 0Rh 4dxy -0.006438 -0.004933 0.005876 0.001741 -0.008032 0.011255 0Rh 5dz2 -0.044924 -0.028021 -0.127014 0.015076 0.056600 -0.042662 0Rh 5dxz 0.128560 -0.060661 0.154788 0.042941 0.008351 -0.016155 0Rh 5dyz -0.051165 0.025916 -0.008762 -0.164780 0.007694 -0.024499 0Rh 5dx2y2 0.017471 0.012436 0.177320 0.078576 -0.104321 -0.005785 0Rh 5dxy 0.042745 0.010389 -0.033300 -0.003579 0.047648 -0.030659 0Rh 1f0 0.027420 -0.004614 0.025326 0.014852 0.007571 -0.008275 0Rh 1f+1 -0.003580 -0.020108 0.038539 0.045237 0.002735 0.016796 0Rh 1f-1 -0.025415 0.000462 -0.013514 -0.007023 0.009649 -0.008874 0Rh 1f+2 -0.031254 -0.012899 0.056860 -0.013711 -0.039766 -0.015704 0Rh 1f-2 -0.038953 0.013375 -0.006404 -0.006194 -0.013716 0.014529 0Rh 1f+3 -0.034351 -0.019911 0.021133 -0.006215 -0.008621 0.012157 0Rh 1f-3 0.008659 0.009652 0.023441 -0.005023 0.000095 -0.015134 1Rh 1s 0.000719 -0.000601 -0.000355 0.000366 -0.000655 0.000921 1Rh 2s -0.007776 0.001964 0.004685 -0.001667 0.002095 -0.003578 1Rh 3s -0.000562 -0.002317 0.000795 0.001123 -0.002555 0.003206 1Rh 4s 0.038437 -0.009185 -0.023276 0.007958 -0.009826 0.016968 1Rh 5s -0.078313 0.004228 0.050211 -0.008516 0.004612 -0.014201 1Rh 6s 0.093380 0.042292 -0.069714 -0.016646 0.044954 -0.050971 1Rh 7s -0.466731 -0.068382 0.430240 0.097777 -0.466449 0.206267 1Rh 8s -0.053554 0.206872 0.063660 -0.075057 0.130365 -0.083608 1Rh 1pz -0.008537 -0.000977 -0.006806 -0.004179 -0.004710 0.000501 1Rh 1px 0.003390 0.007173 -0.003358 -0.001591 -0.002732 -0.002572 1Rh 1py -0.003723 -0.002677 0.002098 0.000685 -0.002338 0.000488 1Rh 2pz 0.028701 0.003150 0.024469 0.014074 0.015521 -0.001562 1Rh 2px -0.009471 -0.023965 0.010223 0.005286 0.009914 0.008414 1Rh 2py 0.013311 0.008980 -0.007671 -0.002405 0.008371 -0.001782 1Rh 3pz 0.000861 0.002772 -0.032131 -0.000131 0.006846 -0.002363 1Rh 3px -0.040602 -0.003633 0.023160 0.001528 -0.015442 0.005406 1Rh 3py -0.016027 0.001038 0.012571 0.002151 -0.010457 0.002576 1Rh 4pz -0.172784 -0.028981 -0.018684 -0.082726 -0.116993 0.017162 1Rh 4px 0.216692 0.155641 -0.154634 -0.037884 0.005396 -0.073472 1Rh 4py -0.016533 -0.059310 -0.003938 0.005276 -0.007346 0.002207 1Rh 5pz 0.255816 0.050713 -0.030126 0.140605 0.179082 -0.023844 1Rh 5px -0.394374 -0.262508 0.274382 0.069100 -0.043052 0.145515 1Rh 5py 0.003178 0.109793 0.025784 -0.003747 -0.016146 -0.008675 1Rh 6pz 0.858084 -0.330507 2.008851 -0.216575 0.464275 0.016649 1Rh 6px 1.151880 0.935999 -0.037339 -0.214593 0.445194 -0.931912 1Rh 6py 0.853822 -0.178317 -0.575230 -0.117045 0.867151 -0.022728 1Rh 1dz2 -0.001413 0.004231 -0.002526 -0.004989 0.004145 0.001521 1Rh 1dxz 0.003752 0.003083 0.010081 -0.002645 0.000817 -0.000363 1Rh 1dyz 0.001116 -0.000677 0.003393 0.009487 0.003412 0.004542 1Rh 1dx2y2 0.006603 -0.003143 0.009380 -0.005056 -0.004549 0.005047 1Rh 1dxy 0.005657 -0.000317 -0.000551 0.000239 0.000314 0.004268 1Rh 2dz2 0.000379 -0.000871 0.001208 0.000546 -0.001196 0.000079 1Rh 2dxz -0.001084 -0.000869 -0.001584 0.000904 0.000230 0.000266 1Rh 2dyz 0.001181 0.000242 0.000766 -0.001985 0.000230 -0.000012 1Rh 2dx2y2 -0.000222 0.000860 -0.002169 0.000977 0.001652 -0.000971 1Rh 2dxy -0.000039 0.000274 0.000460 -0.000077 -0.000421 -0.000032 1Rh 3dz2 0.001619 -0.006003 0.000502 0.009329 -0.004475 -0.003849 1Rh 3dxz -0.003852 -0.003352 -0.016476 0.002258 -0.002809 -0.000319 1Rh 3dyz -0.007561 0.000542 -0.011055 -0.013355 -0.008847 -0.010457 1Rh 3dx2y2 -0.014363 0.003476 -0.012235 0.007450 0.003417 -0.007530 1Rh 3dxy -0.012877 -0.000490 -0.000669 -0.000227 0.001118 -0.009759 1Rh 4dz2 0.006873 -0.016095 0.021591 0.010412 -0.019476 -0.000873 1Rh 4dxz -0.022019 -0.014919 -0.033303 0.014534 0.001259 0.003646 1Rh 4dyz 0.013803 0.004096 0.005798 -0.037434 -0.000292 -0.004372 1Rh 4dx2y2 -0.007703 0.015376 -0.040585 0.019274 0.026843 -0.017112 1Rh 4dxy -0.006629 0.004305 0.006720 -0.000885 -0.007025 -0.003890 1Rh 5dz2 -0.041367 0.048142 -0.117880 -0.015674 0.060319 0.021355 1Rh 5dxz 0.129622 0.035046 0.164696 -0.042360 0.014269 0.006662 1Rh 5dyz -0.044825 -0.024028 -0.008885 0.164781 -0.000757 0.023931 1Rh 5dx2y2 0.014365 -0.039102 0.169829 -0.080400 -0.101497 0.031252 1Rh 5dxy 0.043529 -0.006508 -0.034428 0.000437 0.043110 -0.000766 1Rh 1f0 -0.027177 -0.000933 -0.025582 0.013622 -0.009542 -0.010684 1Rh 1f+1 0.003692 -0.014030 -0.042342 0.044231 -0.005189 0.015818 1Rh 1f-1 0.024756 -0.002154 0.013332 -0.007950 -0.010049 -0.012268 1Rh 1f+2 0.030487 -0.004886 -0.058006 -0.013057 0.039053 -0.022329 1Rh 1f-2 0.039095 0.011495 0.007991 -0.006429 0.012948 0.010839 1Rh 1f+3 0.033678 -0.016495 -0.024158 -0.006021 0.010414 0.011796 1Rh 1f-3 -0.009715 0.013153 -0.023272 -0.004826 -0.000783 -0.016491 2C 1s 0.034584 -0.007361 -0.002274 -0.032339 0.003410 0.001359 2C 2s 0.107210 -0.022428 -0.007805 -0.098405 0.011819 0.003838 2C 3s -1.304410 0.247670 0.125154 1.069047 -0.158432 -0.041029 2C 4s 3.750172 -0.623927 -0.367779 -2.653913 0.491613 0.105986 2C 5s -3.714513 0.628200 1.096534 4.275882 0.004021 -0.301458 2C 1pz 0.150527 0.083781 -0.054680 -0.263682 0.061807 0.012405 2C 1px 0.102827 -0.049595 0.023434 -0.172496 0.035981 -0.027807 2C 1py 0.250782 -0.232541 0.032612 0.092472 -0.069071 0.014968 2C 2pz -0.253253 -0.255384 0.053872 1.001483 -0.091912 -0.043290 2C 2px -0.125197 0.192542 -0.014529 0.490531 -0.009525 0.025644 2C 2py -0.540019 0.761713 -0.147569 -0.148703 0.317594 -0.063673 2C 3pz -0.042344 0.199503 0.034663 0.071967 0.168343 0.015527 2C 3px 0.228247 -0.110023 0.039196 -0.235258 0.152985 -0.052536 2C 3py 0.098205 -0.377050 0.306908 0.491931 -0.176883 -0.060071 2C 1dz2 0.002282 0.008034 -0.004503 -0.003727 0.002482 -0.001586 2C 1dxz -0.006472 -0.002166 -0.004133 -0.003474 -0.004298 0.004596 2C 1dyz -0.013750 -0.000329 0.006608 0.003294 -0.004895 -0.000200 2C 1dx2y2 0.006259 0.005107 -0.003583 -0.000508 0.002713 0.001888 2C 1dxy -0.001051 -0.004330 -0.002494 0.008270 -0.006127 0.003725 2C 2dz2 -0.260997 0.095493 -0.039167 0.152433 0.012099 0.039077 2C 2dxz -0.000612 0.112854 0.131013 -0.123177 0.165497 -0.077120 2C 2dyz -0.249971 0.134276 -0.085629 0.379104 -0.005445 -0.013253 2C 2dx2y2 -0.013490 0.113748 -0.033801 -0.182740 0.024008 0.048342 2C 2dxy 0.156321 -0.177931 0.060063 0.206722 -0.006430 -0.056095 2C 1f0 0.013648 0.016800 -0.015271 -0.032189 -0.000761 0.005627 2C 1f+1 0.022040 -0.010393 -0.003135 -0.001935 -0.011813 0.008865 2C 1f-1 0.053525 -0.013166 -0.008499 -0.033165 0.007939 -0.004187 2C 1f+2 -0.068793 0.015426 0.011361 0.048177 0.006031 -0.022767 2C 1f-2 0.078433 -0.009028 0.001703 -0.069967 0.019972 -0.012186 2C 1f+3 -0.055412 0.022573 0.007424 0.040367 -0.001845 0.002733 2C 1f-3 -0.018393 0.002808 -0.005299 0.018551 0.016462 -0.023720 3C 1s 0.021565 0.026678 -0.028858 -0.025155 -0.002661 -0.003233 3C 2s 0.067349 0.080992 -0.089374 -0.075982 -0.006600 -0.009796 3C 3s -0.789401 -0.890821 1.077071 0.828849 0.070470 0.107196 3C 4s 2.087335 2.233439 -3.077884 -2.040921 -0.151137 -0.252627 3C 5s -3.606715 -3.415728 3.471172 3.853895 0.703328 0.422581 3C 1pz 0.077451 0.025462 -0.164149 -0.196138 -0.082718 0.018104 3C 1px 0.029799 0.042084 -0.155061 -0.280560 -0.079091 0.037879 3C 1py -0.107258 -0.202210 0.128178 -0.007213 -0.012254 0.055208 3C 2pz -0.214128 -0.171422 0.336914 0.722787 0.333478 -0.013089 3C 2px -0.039906 -0.146456 0.548164 0.949888 0.284541 -0.132444 3C 2py 0.244962 0.769636 -0.171619 -0.146526 -0.088141 -0.215982 3C 3pz -0.319805 -0.284429 -0.011507 0.074971 -0.152191 0.078156 3C 3px -0.129802 -0.075596 -0.077253 -0.265694 -0.138156 0.102655 3C 3py 0.153138 -0.001811 -0.098792 -0.457440 -0.217103 0.050287 3C 1dz2 -0.008167 -0.004387 0.006342 0.006200 0.000471 -0.000895 3C 1dxz -0.001483 -0.001039 -0.000274 -0.006131 -0.002611 0.004482 3C 1dyz 0.007189 0.005112 -0.010701 -0.003108 0.001422 0.000945 3C 1dx2y2 -0.000659 -0.003141 -0.010326 -0.006705 -0.002653 0.002229 3C 1dxy 0.005765 0.003524 0.000227 0.001093 0.004198 -0.001807 3C 2dz2 0.007038 0.077463 -0.032712 0.026859 -0.025702 -0.011758 3C 2dxz -0.038855 -0.156771 0.048097 -0.154888 -0.013191 0.097906 3C 2dyz -0.016646 0.248517 -0.078634 -0.141653 -0.037950 -0.051948 3C 2dx2y2 0.166136 0.184995 -0.125936 -0.368871 -0.148010 0.010096 3C 2dxy 0.097974 0.143128 -0.266164 -0.268373 -0.111641 -0.015710 3C 1f0 0.013773 0.007686 -0.015326 -0.027778 -0.009716 -0.001363 3C 1f+1 0.009651 0.012282 -0.009770 -0.015157 0.013328 -0.000330 3C 1f-1 0.015790 0.031444 -0.019163 -0.012975 -0.005320 -0.005245 3C 1f+2 -0.053791 -0.069439 0.089088 0.065795 0.009832 0.008544 3C 1f-2 -0.041589 -0.048689 0.056503 0.043556 0.019717 0.008793 3C 1f+3 0.017925 0.008030 -0.020756 -0.033469 -0.003709 0.003334 3C 1f-3 -0.008739 0.000443 0.000719 -0.012803 0.006739 0.004380 4C 1s -0.017816 0.002304 0.004224 0.010750 -0.003254 0.000392 4C 2s -0.057232 0.007602 0.013910 0.035874 -0.009373 0.000949 4C 3s 0.765143 -0.107882 -0.227191 -0.550640 0.107938 0.006643 4C 4s -1.759764 0.260497 0.517177 1.559200 -0.154246 -0.065272 4C 5s 1.847948 0.043216 0.529510 -1.379877 0.028601 0.042217 4C 1pz 0.039698 -0.058444 0.085067 -0.011960 -0.080643 0.004793 4C 1px -0.033525 -0.027941 0.031555 0.000722 -0.026534 -0.045901 4C 1py 0.060701 0.090554 -0.152464 -0.020369 0.178837 -0.009846 4C 2pz -0.516291 0.234032 -0.404264 0.630096 0.128404 -0.036389 4C 2px 0.967017 0.100206 0.648289 -0.166251 0.255982 0.012114 4C 2py -0.089276 -0.055919 0.378645 0.348227 -0.127475 -0.021071 4C 3pz 0.442642 -0.129082 1.260950 0.658555 0.191533 -0.238135 4C 3px -0.354647 0.012780 0.057319 0.256562 -0.532437 0.222490 4C 3py 0.337113 0.079187 0.500881 0.364309 0.306300 0.090521 4C 1dz2 -0.012362 0.001164 0.010626 -0.005563 0.001453 0.001403 4C 1dxz -0.003264 -0.002056 0.002921 -0.004647 0.003608 -0.003825 4C 1dyz 0.000219 -0.002700 0.001739 0.000041 -0.008050 0.000162 4C 1dx2y2 -0.008520 -0.003701 0.007377 0.015885 0.008468 -0.003501 4C 1dxy -0.004538 0.010408 -0.000486 -0.004951 0.000562 0.000474 4C 2dz2 -0.411169 -0.123358 -0.216600 -0.049361 -0.217351 0.134916 4C 2dxz 0.578484 0.015038 0.304767 -0.374426 0.224977 -0.127578 4C 2dyz -0.152715 -0.017640 0.059693 -0.118318 -0.090242 0.004986 4C 2dx2y2 -0.015715 0.036396 0.210418 0.256347 0.075296 -0.021389 4C 2dxy 0.360686 0.123699 0.478674 -0.020674 0.198159 -0.131191 4C 1f0 0.026918 0.015778 -0.009756 -0.018587 0.002981 -0.000258 4C 1f+1 0.038430 -0.025607 -0.005781 -0.028889 -0.006634 0.005446 4C 1f-1 0.008484 -0.006966 -0.008143 -0.015452 0.005209 -0.005339 4C 1f+2 -0.048969 -0.004781 -0.002354 0.031385 -0.009957 -0.002614 4C 1f-2 0.007599 0.008061 -0.000630 -0.004396 0.005718 0.001959 4C 1f+3 -0.016200 0.013247 -0.024231 0.003903 -0.008590 0.011480 4C 1f-3 0.008022 0.001001 -0.025673 -0.020755 0.011007 -0.002658 5C 1s -0.005911 -0.007604 0.014351 0.007119 0.002223 0.001487 5C 2s -0.020081 -0.025694 0.046081 0.024650 0.007979 0.004980 5C 3s 0.383680 0.405198 -0.628746 -0.411866 -0.127455 -0.084015 5C 4s -0.941051 -1.050417 1.438670 1.140174 0.468301 0.246269 5C 5s 0.121390 1.049691 -1.903312 -1.106819 -0.434633 -0.422212 5C 1pz 0.153669 0.094440 -0.008442 -0.035012 0.148256 -0.016856 5C 1px 0.023849 0.022128 -0.034823 0.037788 0.080296 0.014848 5C 1py 0.089527 0.049950 0.048509 0.001958 0.103124 0.007137 5C 2pz -0.349639 -0.426089 -0.144695 0.356087 0.039951 0.086034 5C 2px -0.011168 -0.225038 1.002843 0.064387 -0.202663 0.020489 5C 2py -0.075073 0.348010 -0.071462 -0.462885 -0.427858 -0.122136 5C 3pz -0.686604 -0.102083 -0.082635 0.533031 0.330705 -0.097131 5C 3px -0.520372 -0.147954 -0.353192 0.250939 -0.041318 -0.011782 5C 3py 1.641011 0.509762 0.097224 -0.939679 0.106615 0.030956 5C 1dz2 0.011628 0.004276 -0.008009 -0.016102 -0.008909 0.000592 5C 1dxz 0.008069 0.008727 -0.002345 0.002127 -0.005072 -0.004439 5C 1dyz -0.000074 0.000336 -0.003430 0.001683 0.006985 -0.000097 5C 1dx2y2 0.008729 -0.002070 -0.006638 0.003178 0.001125 -0.001489 5C 1dxy 0.003549 -0.002458 0.000013 0.008735 -0.002575 0.001215 5C 2dz2 0.243800 0.096195 -0.265057 -0.157175 -0.013008 0.002589 5C 2dxz 0.135622 0.236720 0.246325 -0.178983 -0.141804 -0.059995 5C 2dyz 0.174997 -0.018189 0.160445 0.042900 0.059166 -0.017724 5C 2dx2y2 -0.184642 -0.235405 0.373159 0.366273 0.123806 0.021201 5C 2dxy -0.095364 -0.105934 -0.643812 0.061791 0.074816 0.099787 5C 1f0 -0.008986 -0.006399 0.005395 -0.010641 -0.009728 -0.000226 5C 1f+1 0.016190 0.024461 -0.023436 -0.004189 0.009436 -0.003248 5C 1f-1 0.003811 0.002616 0.011339 0.006228 -0.003118 0.001904 5C 1f+2 -0.005733 -0.000284 -0.003255 0.002490 -0.009169 0.001446 5C 1f-2 -0.024797 -0.022939 -0.000083 0.012922 0.007755 0.001596 5C 1f+3 0.012672 0.006493 -0.056033 -0.039785 -0.007517 -0.005438 5C 1f-3 -0.028673 -0.032178 0.028100 0.019165 0.010540 0.006787 6C 1s -0.005786 0.005483 0.015286 -0.007048 0.002259 -0.002391 6C 2s -0.019684 0.018886 0.049294 -0.024347 0.008202 -0.008119 6C 3s 0.379047 -0.311727 -0.682900 0.403756 -0.135346 0.137967 6C 4s -0.931487 0.835468 1.583205 -1.114571 0.498143 -0.422218 6C 5s 0.135250 -0.747255 -2.042928 1.057503 -0.441521 0.516322 6C 1pz -0.152304 0.094686 0.023806 -0.036692 -0.151986 -0.001768 6C 1px -0.020716 0.016832 0.038091 0.036268 -0.083644 0.035512 6C 1py -0.087019 0.058466 -0.038722 0.001038 -0.104909 0.019534 6C 2pz 0.346813 -0.448939 0.074137 0.350315 -0.040620 0.140923 6C 2px -0.001422 -0.069707 -1.022105 0.045112 0.201664 -0.084861 6C 2py 0.074673 0.330678 0.124341 -0.452814 0.441063 -0.227761 6C 3pz 0.689365 -0.116974 0.061740 0.514378 -0.368075 0.009539 6C 3px 0.515739 -0.207601 0.324844 0.249392 0.029045 0.001262 6C 3py -1.638257 0.537247 -0.008670 -0.916714 -0.052566 -0.074218 6C 1dz2 0.011784 -0.003279 -0.008615 0.015155 -0.009768 0.000769 6C 1dxz 0.007945 -0.008374 -0.003769 -0.002744 -0.004777 0.004945 6C 1dyz -0.000235 0.000245 -0.003471 -0.001075 0.007116 -0.000806 6C 1dx2y2 0.008725 0.002965 -0.006448 -0.003692 0.001573 0.000112 6C 1dxy 0.003402 0.002432 0.000446 -0.008862 -0.001990 -0.000358 6C 2dz2 0.244230 -0.058266 -0.276035 0.147606 -0.020221 0.003432 6C 2dxz 0.131005 -0.272749 0.202745 0.176290 -0.143538 0.107855 6C 2dyz 0.172604 -0.008583 0.157961 -0.033860 0.063533 0.025681 6C 2dx2y2 -0.183117 0.177393 0.403748 -0.350238 0.140611 -0.058076 6C 2dxy -0.090504 0.203026 -0.612700 -0.071858 0.066963 -0.149210 6C 1f0 0.009101 -0.005524 -0.006066 -0.010860 0.009913 -0.003363 6C 1f+1 -0.015796 0.020853 0.026861 -0.004222 -0.009615 -0.001337 6C 1f-1 -0.003879 0.004398 -0.010924 0.006351 0.002872 0.001441 6C 1f+2 0.005763 -0.000766 0.003007 0.003076 0.009240 0.000470 6C 1f-2 0.024728 -0.022873 -0.003365 0.012866 -0.008066 0.006512 6C 1f+3 -0.013216 -0.001861 0.056141 -0.038607 0.009222 -0.007525 6C 1f-3 0.027986 -0.027790 -0.033084 0.018218 -0.010812 0.009851 7C 1s -0.018202 -0.002795 0.004084 -0.010594 -0.002720 -0.000928 7C 2s -0.058441 -0.009206 0.013506 -0.035334 -0.007608 -0.002837 7C 3s 0.779750 0.133345 -0.222740 0.543536 0.082337 0.020292 7C 4s -1.798481 -0.317486 0.506566 -1.536792 -0.086714 -0.027970 7C 5s 1.845830 -0.158145 0.456922 1.375131 -0.035804 0.030646 7C 1pz -0.041619 -0.046977 -0.093207 -0.009187 0.082909 -0.000883 7C 1px 0.031187 -0.024777 -0.036731 0.000921 0.025975 -0.054531 7C 1py -0.057512 0.070378 0.165608 -0.024545 -0.178769 0.007147 7C 2pz 0.527339 0.168648 0.416789 0.620161 -0.161400 -0.010588 7C 2px -0.964032 0.206601 -0.620986 -0.176162 -0.246733 0.069494 7C 2py 0.088419 -0.005477 -0.395698 0.342864 0.114726 -0.013516 7C 3pz -0.456764 0.057058 -1.303898 0.640937 -0.217984 -0.294074 7C 3px 0.363508 0.014958 -0.057619 0.281408 0.525618 0.190591 7C 3py -0.334224 0.158237 -0.505426 0.362493 -0.301760 0.098839 7C 1dz2 -0.012120 -0.002590 0.010354 0.006251 0.001007 -0.001452 7C 1dxz -0.002982 0.001905 0.003084 0.004976 0.003528 0.004281 7C 1dyz 0.000028 0.002331 0.002031 -0.000579 -0.007936 0.000966 7C 1dx2y2 -0.008591 0.002689 0.008231 -0.015040 0.009227 0.002083 7C 1dxy -0.004540 -0.009996 -0.001788 0.005033 0.000218 -0.000196 7C 2dz2 -0.410054 0.156834 -0.200544 0.040808 -0.224016 -0.113646 7C 2dxz 0.582517 -0.064091 0.291661 0.380507 0.210980 0.106374 7C 2dyz -0.153704 0.010073 0.056976 0.113569 -0.094541 0.006192 7C 2dx2y2 -0.016557 -0.065051 0.212789 -0.249908 0.083089 0.006486 7C 2dxy 0.362298 -0.195532 0.458382 0.032420 0.200472 0.114327 7C 1f0 -0.026958 0.014317 0.012410 -0.017865 -0.002080 -0.000070 7C 1f+1 -0.038963 -0.025531 0.002740 -0.027950 0.008057 0.003147 7C 1f-1 -0.008855 -0.007949 0.007615 -0.015845 -0.004660 -0.006359 7C 1f+2 0.049353 -0.005620 0.000778 0.031254 0.008106 -0.003580 7C 1f-2 -0.007700 0.008056 0.001977 -0.004890 -0.005518 0.002812 7C 1f+3 0.016469 0.009509 0.025972 0.004616 0.009147 0.012119 7C 1f-3 -0.008850 -0.002769 0.025960 -0.021271 -0.010478 -0.004348 8C 1s 0.021492 -0.022090 -0.032651 0.024361 -0.003520 0.005224 8C 2s 0.067145 -0.066801 -0.100864 0.073601 -0.009180 0.015626 8C 3s -0.786676 0.721781 1.202326 -0.802803 0.097474 -0.171435 8C 4s 2.080473 -1.755447 -3.386661 1.975888 -0.216082 0.406578 8C 5s -3.605035 2.876087 3.966874 -3.724664 0.843592 -0.814452 8C 1pz -0.076591 0.000853 0.173046 -0.192106 0.093432 0.002046 8C 1px -0.033234 0.021165 0.160333 -0.274848 0.092642 0.012818 8C 1py 0.104062 -0.180423 -0.154306 -0.009912 0.018975 0.059553 8C 2pz 0.209790 -0.117831 -0.381531 0.707448 -0.369117 0.059365 8C 2px 0.051884 -0.069521 -0.563223 0.926198 -0.332769 -0.050042 8C 2py -0.234726 0.733362 0.278836 -0.131556 0.073123 -0.258116 8C 3pz 0.320080 -0.287863 -0.023707 0.070126 0.156335 0.084388 8C 3px 0.122258 -0.082379 0.063268 -0.261822 0.154063 0.072804 8C 3py -0.158512 -0.014354 0.104257 -0.447332 0.245123 -0.004118 8C 1dz2 -0.008303 0.003612 0.006988 -0.005582 0.000782 0.000837 8C 1dxz -0.001289 0.001079 -0.000059 0.006248 -0.003259 -0.003610 8C 1dyz 0.007258 -0.003583 -0.011220 0.002871 0.001314 -0.001049 8C 1dx2y2 -0.000511 0.004759 -0.009716 0.006532 -0.003110 -0.001524 8C 1dxy 0.005513 -0.003501 -0.000621 -0.000886 0.004518 0.000778 8C 2dz2 0.005989 -0.071057 -0.043331 -0.026987 -0.023658 0.011827 8C 2dxz -0.033043 0.146326 0.069205 0.158610 -0.026760 -0.096594 8C 2dyz -0.017942 -0.232870 -0.111435 0.141151 -0.038922 0.073220 8C 2dx2y2 0.163716 -0.166176 -0.158736 0.356176 -0.161552 0.025558 8C 2dxy 0.098810 -0.101901 -0.288655 0.258845 -0.123678 0.041879 8C 1f0 -0.014064 0.005615 0.017165 -0.027113 0.010858 -0.004445 8C 1f+1 -0.008649 0.009649 0.010291 -0.014103 -0.013452 0.003477 8C 1f-1 -0.015429 0.028119 0.023043 -0.011864 0.004993 -0.006250 8C 1f+2 0.053172 -0.055252 -0.098454 0.063789 -0.011510 0.013172 8C 1f-2 0.041650 -0.040769 -0.064548 0.042638 -0.021056 0.017043 8C 1f+3 -0.017717 0.004744 0.021569 -0.032368 0.005109 0.001769 8C 1f-3 0.008898 0.000078 -0.001162 -0.013155 -0.006348 0.005596 9C 1s 0.035132 0.007008 -0.002502 0.032364 0.001647 -0.000097 9C 2s 0.108897 0.021453 -0.008482 0.098550 0.006419 -0.000094 9C 3s -1.323449 -0.241669 0.130925 -1.070252 -0.100161 0.000758 9C 4s 3.800016 0.611931 -0.379872 2.656717 0.346982 -0.005783 9C 5s -3.746686 -0.709978 1.183495 -4.251578 0.210116 0.197907 9C 1pz -0.152208 0.076672 0.071254 -0.263283 -0.047250 0.012762 9C 1px -0.104573 -0.038031 -0.018136 -0.180345 -0.028370 -0.031625 9C 1py -0.253379 -0.221388 -0.062212 0.096272 0.063174 0.000201 9C 2pz 0.257391 -0.249274 -0.115411 0.996998 0.039666 -0.036580 9C 2px 0.130300 0.165931 0.005162 0.509885 -0.013777 0.045834 9C 2py 0.547161 0.721455 0.241855 -0.162659 -0.305587 -0.007168 9C 3pz 0.043097 0.200712 -0.018377 0.069665 -0.162931 0.028318 9C 3px -0.230815 -0.088806 -0.035837 -0.251640 -0.140578 -0.046990 9C 3py -0.105428 -0.329432 -0.369075 0.491280 0.148351 -0.095425 9C 1dz2 0.002221 -0.007300 -0.005792 0.003370 0.002410 0.001515 9C 1dxz -0.006429 0.002763 -0.004032 0.003334 -0.004708 -0.004406 9C 1dyz -0.013774 -0.000474 0.006881 -0.003095 -0.004697 0.000592 9C 1dx2y2 0.005919 -0.004860 -0.004361 0.000606 0.002772 -0.002737 9C 1dxy -0.001237 0.004436 -0.001936 -0.008605 -0.005744 -0.003223 9C 2dz2 -0.262336 -0.082661 -0.043699 -0.149332 0.014111 -0.055246 9C 2dxz 0.004571 -0.130256 0.113522 0.138759 0.156497 0.060352 9C 2dyz -0.259779 -0.117762 -0.089370 -0.375814 0.017905 -0.003380 9C 2dx2y2 -0.016679 -0.109760 -0.050930 0.189533 0.012241 -0.056822 9C 2dxy 0.153369 0.160057 0.085894 -0.206880 0.008727 0.060375 9C 1f0 -0.013425 0.014668 0.018157 -0.031767 0.002414 0.005263 9C 1f+1 -0.022262 -0.010052 0.002121 -0.001350 0.012579 0.009273 9C 1f-1 -0.053816 -0.013552 0.007692 -0.032365 -0.006421 -0.006963 9C 1f+2 0.071789 0.016142 -0.010936 0.049153 -0.009553 -0.022167 9C 1f-2 -0.078366 -0.007219 -0.000225 -0.069903 -0.017872 -0.016294 9C 1f+3 0.054643 0.022358 -0.005983 0.038704 0.001161 0.007152 9C 1f-3 0.021540 0.002245 0.004705 0.019313 -0.019342 -0.025045 10H 1s 0.057394 -0.000404 -0.002000 -0.038318 0.003234 0.003790 10H 2s -0.614965 -0.025224 0.212763 0.454154 0.013546 -0.118782 10H 3s 0.757636 -0.013495 -0.140955 -0.642225 0.007138 0.077713 10H 1pz -0.144661 0.003396 0.038365 0.144629 0.112225 -0.196521 10H 1px 0.076120 0.012577 -0.016471 -0.034314 0.036810 -0.035110 10H 1py -0.011824 0.071203 -0.019413 -0.017150 -0.160504 0.288946 11H 1s 0.050921 0.005060 -0.008817 -0.062596 0.011123 0.006774 11H 2s -0.603462 -0.199441 0.030318 1.209987 -0.297537 0.000521 11H 3s 0.848455 0.068800 -0.185728 -1.273139 0.218258 0.054583 11H 1pz -0.067224 -0.023255 -0.004698 0.106405 -0.127670 0.163187 11H 1px -0.146044 0.026843 -0.006366 0.159289 0.155334 -0.267150 11H 1py -0.011055 0.110359 -0.069882 -0.152903 0.151647 -0.162136 12H 1s 0.052699 -0.035163 0.001036 -0.027552 -0.010995 -0.000526 12H 2s -1.079710 0.740590 -0.048982 0.254715 0.095183 0.023009 12H 3s 1.088844 -0.608758 0.034021 -0.566250 -0.112588 0.025113 12H 1pz 0.028772 -0.105992 0.051949 0.083847 -0.042693 0.019641 12H 1px -0.032646 0.026185 0.032819 0.072929 -0.207396 0.320064 12H 1py -0.226221 0.129222 -0.024630 0.070161 0.113613 -0.150019 13H 1s 0.028031 0.038422 -0.032086 -0.031385 -0.017630 -0.014385 13H 2s -0.552100 -0.605108 0.555936 0.287357 0.113719 0.175364 13H 3s 0.601507 0.679180 -0.693721 -0.437740 -0.077878 -0.158387 13H 1pz -0.036248 -0.080112 0.120393 0.174940 -0.082037 -0.032607 13H 1px 0.078679 0.057487 -0.010773 0.089960 -0.055019 -0.049903 13H 1py 0.098758 0.096980 -0.072517 -0.026075 -0.112840 -0.044655 14H 1s 0.026634 0.031811 -0.064541 -0.067379 -0.019516 0.002077 14H 2s -0.486741 -0.422713 0.879714 1.239091 0.305887 -0.107793 14H 3s 0.549430 0.565394 -0.950188 -1.168448 -0.346497 0.053600 14H 1pz -0.053604 -0.025136 0.068885 0.007408 0.177090 0.043455 14H 1px -0.078980 -0.101083 0.183130 0.273240 -0.036252 -0.029670 14H 1py 0.040660 0.062079 0.026835 0.067888 0.074198 -0.025421 15H 1s 0.019159 0.047142 -0.040065 -0.019088 -0.006509 -0.007181 15H 2s -0.241609 -0.670574 0.443514 0.057708 -0.080324 0.159360 15H 3s 0.638143 0.855332 -0.681841 -0.466243 0.014806 -0.155973 15H 1pz 0.077438 0.100946 -0.036546 0.013984 0.011562 -0.034542 15H 1px -0.007625 0.003352 0.061120 0.018186 0.203544 0.036584 15H 1py 0.037492 0.119971 -0.081027 -0.057030 0.046769 -0.001664 16H 1s 0.041678 -0.041530 0.050609 0.025317 0.012951 0.009557 16H 2s -0.122180 0.369898 -0.105176 -0.122082 -0.085403 -0.141832 16H 3s 0.083078 -0.052398 -0.095795 0.036232 0.029153 0.035732 16H 1pz -0.044612 0.033594 -0.042702 -0.006536 -0.022659 -0.013583 16H 1px 0.091340 -0.008313 0.023471 0.065425 0.082978 0.017863 16H 1py 0.009882 0.004932 -0.017249 -0.015343 0.035590 0.024669 17H 1s -0.024423 -0.002529 -0.058428 -0.026731 -0.000016 0.018658 17H 2s 0.122732 0.187584 0.302608 0.123426 -0.064548 -0.224886 17H 3s 0.121148 -0.016962 -0.075909 -0.025669 -0.007101 0.078603 17H 1pz -0.021817 -0.041290 0.007450 0.029081 -0.022725 0.021160 17H 1px -0.006025 0.025846 -0.107436 -0.045196 0.029358 -0.000825 17H 1py 0.002163 -0.011126 -0.030256 0.011053 0.022529 -0.009674 18H 1s -0.022995 0.011767 -0.055513 0.026094 -0.001991 -0.019103 18H 2s 0.108269 -0.233039 0.253669 -0.120612 -0.049441 0.242736 18H 3s 0.123926 0.026587 -0.068701 0.025416 -0.009687 -0.066474 18H 1pz 0.019852 -0.038817 -0.016174 0.029952 0.022956 0.015773 18H 1px 0.005756 0.008871 0.108498 -0.045862 -0.028574 0.008178 18H 1py -0.001574 -0.016311 0.027668 0.010904 -0.024091 -0.000488 19H 1s 0.043863 0.031813 0.059626 -0.024073 0.014701 -0.011624 19H 2s -0.138633 -0.343370 -0.186033 0.118324 -0.089797 0.171238 19H 3s 0.086247 0.063491 -0.080200 -0.035826 0.029851 -0.036112 19H 1pz 0.046393 0.025508 0.049420 -0.004281 0.023523 -0.016624 19H 1px -0.091049 -0.002157 -0.026615 0.060762 -0.087877 0.028971 19H 1py -0.008922 0.002766 0.019835 -0.016780 -0.034141 0.030035 20H 1s 0.018613 -0.040868 -0.046329 0.018116 -0.006529 0.009947 20H 2s -0.237446 0.596912 0.524699 -0.053299 -0.093244 -0.175196 20H 3s 0.636140 -0.746487 -0.794702 0.447324 0.008532 0.208555 20H 1pz -0.077030 0.095319 0.048620 0.016237 -0.016845 -0.038181 20H 1px 0.009189 0.008996 -0.061473 0.012702 -0.207481 0.103053 20H 1py -0.036323 0.105623 0.096688 -0.057522 -0.047604 0.011677 21H 1s 0.026566 -0.021890 -0.068972 0.065494 -0.022452 0.003391 21H 2s -0.491651 0.292151 0.944623 -1.210625 0.364519 0.011653 21H 3s 0.555859 -0.421189 -1.032412 1.136089 -0.400075 0.058834 21H 1pz 0.052641 -0.016563 -0.075845 0.003688 -0.179189 0.099895 21H 1px 0.080380 -0.072689 -0.196783 0.269132 0.027024 -0.042386 21H 1py -0.038545 0.064400 -0.018980 0.068318 -0.081303 -0.003754 22H 1s 0.027646 -0.033312 -0.038184 0.030055 -0.017723 0.019303 22H 2s -0.539480 0.514585 0.652205 -0.268633 0.112985 -0.214836 22H 3s 0.592251 -0.566613 -0.797661 0.416453 -0.084952 0.197162 22H 1pz 0.035653 -0.059042 -0.131756 0.175193 0.076466 -0.063971 22H 1px -0.075487 0.055608 0.021219 0.091031 0.048995 -0.070370 22H 1py -0.098346 0.087095 0.086676 -0.020022 0.112860 -0.085791 23H 1s 0.053798 0.033953 0.004618 0.026729 -0.011701 0.005419 23H 2s -1.094176 -0.702864 -0.125442 -0.243507 0.102427 -0.087321 23H 3s 1.101534 0.574478 0.081169 0.559296 -0.138594 0.032968 23H 1pz -0.029954 -0.096143 -0.065539 0.083418 0.038974 0.015512 23H 1px 0.030414 0.028426 -0.034664 0.087949 0.233350 0.360234 23H 1py 0.228982 0.119934 0.037378 0.061763 -0.126339 -0.150688 24H 1s 0.051470 -0.004507 -0.011802 0.062365 0.007402 -0.006788 24H 2s -0.622797 0.203156 0.094628 -1.227946 -0.226592 -0.004495 24H 3s 0.861216 -0.058186 -0.239053 1.279016 0.146305 -0.045837 24H 1pz 0.068418 -0.023284 -0.001801 0.113691 0.137467 0.185605 24H 1px 0.148595 0.018797 0.001253 0.151917 -0.183733 -0.288995 24H 1py 0.012466 0.098380 0.087970 -0.160169 -0.159505 -0.178611 25H 1s 0.057344 -0.000216 -0.003295 0.037720 0.001813 -0.003891 25H 2s -0.615973 -0.002425 0.223143 -0.440033 0.036579 0.102572 25H 3s 0.762721 0.025754 -0.157300 0.631909 -0.025248 -0.051344 25H 1pz 0.145700 0.005087 -0.042838 0.135154 -0.135467 -0.213639 25H 1px -0.075922 0.008147 0.015942 -0.033320 -0.042402 -0.047398 25H 1py 0.011689 0.068851 0.027775 -0.004102 0.185717 0.325034 26O 1s 0.004042 0.000147 0.002927 -0.003276 0.002689 -0.004075 26O 2s 0.011437 -0.000492 0.007368 -0.009001 0.006744 -0.010252 26O 3s -0.035068 0.021693 0.012901 0.039655 -0.006014 0.011633 26O 4s -0.096612 -0.124774 -0.236619 0.008096 -0.140090 0.190026 26O 5s -1.049159 -0.174319 -1.717117 -0.746301 -0.271589 -0.190793 26O 1pz -0.036276 0.035288 -0.053905 0.023591 0.006094 0.008817 26O 1px 0.043769 0.031093 0.025757 -0.009887 0.032800 -0.020574 26O 1py 0.002882 -0.065730 0.011460 -0.010554 -0.018882 0.003610 26O 2pz 0.040588 0.015200 0.055718 0.038787 0.019529 -0.008765 26O 2px 0.189762 0.090532 0.381534 0.083325 0.120727 -0.084765 26O 2py 0.104617 0.019420 0.173994 0.063756 0.082579 -0.030329 26O 3pz -0.357088 -0.115003 -0.214147 0.103561 -0.341393 0.149958 26O 3px 0.120380 -0.104010 0.103637 0.320979 -0.087266 0.186331 26O 3py -0.243629 0.182304 -0.373755 0.105930 -0.172952 0.065344 26O 1dz2 -0.004511 -0.000835 -0.002062 -0.000784 -0.001438 0.000946 26O 1dxz 0.000714 0.000922 -0.000096 0.002041 -0.000803 0.000482 26O 1dyz -0.001655 -0.000899 -0.000069 0.001311 -0.000880 0.001010 26O 1dx2y2 0.003151 0.001527 0.002436 -0.001384 0.000142 -0.001023 26O 1dxy 0.002865 -0.000267 -0.000006 0.000587 0.002522 -0.000783 26O 2dz2 0.051256 -0.251032 0.177524 0.012929 -0.099690 -0.055973 26O 2dxz 0.056296 -0.043128 0.003281 -0.002667 -0.081049 0.063806 26O 2dyz -0.025173 0.157716 -0.078404 -0.014755 0.049581 0.010614 26O 2dx2y2 -0.024817 -0.063676 -0.080375 -0.048417 -0.091047 -0.009221 26O 2dxy -0.027404 -0.154932 0.028383 0.019583 -0.001320 -0.022643 26O 1f0 0.001820 -0.000806 -0.001500 -0.001976 0.000774 -0.000261 26O 1f+1 0.002058 0.000661 -0.007058 -0.004477 0.000725 0.000353 26O 1f-1 0.003557 0.000191 0.000066 -0.003284 0.000033 -0.000788 26O 1f+2 -0.004665 0.001813 -0.000007 0.001199 -0.002314 0.000700 26O 1f-2 0.000180 -0.001261 0.001967 0.000098 -0.000719 -0.000128 26O 1f+3 0.000491 -0.000972 -0.003351 -0.002757 0.001783 -0.000639 26O 1f-3 0.001824 -0.003262 -0.004953 -0.004414 -0.000626 -0.000031 27O 1s -0.001134 0.000737 0.003243 0.000937 0.000938 0.000541 27O 2s -0.002733 0.003151 0.005842 0.000951 0.001488 0.001509 27O 3s -0.009495 -0.040681 0.072560 0.038869 0.013579 -0.004308 27O 4s 0.090797 0.131040 -0.600473 -0.243057 -0.126876 0.017479 27O 5s 0.971218 0.730150 -0.770743 -0.613113 0.274387 -0.133722 27O 1pz -0.009135 -0.056617 -0.064756 -0.034841 -0.009036 -0.008707 27O 1px -0.009969 -0.006771 0.019231 0.004854 0.001959 0.000447 27O 1py -0.018994 -0.033372 0.031208 -0.012513 -0.027295 -0.005502 27O 2pz 0.001594 -0.007805 -0.043071 -0.009489 0.025728 -0.000381 27O 2px -0.170477 -0.150164 0.548295 0.188271 0.008259 -0.009856 27O 2py 0.059157 0.042285 -0.107808 -0.072389 -0.001983 0.002801 27O 3pz 0.206881 0.122680 0.016674 0.055019 0.076670 0.011158 27O 3px -0.034292 -0.283908 -0.173396 0.239417 0.137149 0.127539 27O 3py 0.061049 0.077046 0.437797 0.166111 0.036044 -0.028055 27O 1dz2 -0.000579 0.001208 -0.001047 -0.001896 -0.000704 -0.000281 27O 1dxz 0.000361 -0.001744 -0.002772 -0.000344 0.002550 0.000651 27O 1dyz 0.000974 0.000618 0.002009 0.000559 -0.000294 -0.001036 27O 1dx2y2 0.001138 0.000545 0.002164 -0.000306 0.001860 -0.000370 27O 1dxy 0.001891 0.001339 0.004339 -0.001818 0.000771 -0.001156 27O 2dz2 0.105403 0.153477 0.270651 0.206475 0.096698 0.029157 27O 2dxz -0.081845 -0.042039 0.015798 -0.046925 0.014096 -0.003427 27O 2dyz -0.020152 -0.104954 -0.075511 -0.067892 -0.085969 -0.018568 27O 2dx2y2 0.074944 0.134882 -0.073129 0.067635 0.093833 0.001146 27O 2dxy -0.071508 -0.052745 -0.010062 -0.050599 0.046808 0.022959 27O 1f0 -0.000195 -0.001531 0.002000 0.002343 -0.000727 0.001411 27O 1f+1 0.000938 0.002177 -0.011050 -0.004267 -0.000427 -0.000035 27O 1f-1 -0.000059 -0.001919 0.001911 0.001723 0.000071 -0.000297 27O 1f+2 0.001717 -0.000507 -0.004162 0.000274 0.002190 0.000454 27O 1f-2 -0.000971 -0.000595 0.000738 0.002304 -0.000381 0.001193 27O 1f+3 0.003737 0.006091 -0.008985 -0.002395 0.000234 -0.001163 27O 1f-3 -0.004535 -0.003244 0.005833 0.002262 -0.001489 0.000482 28O 1s -0.002887 -0.000115 -0.001812 0.000861 -0.001624 0.003119 28O 2s -0.004147 -0.000341 -0.004234 -0.000310 -0.003637 0.008086 28O 3s -0.088461 0.002102 -0.010010 0.065030 -0.011693 -0.013648 28O 4s 0.628079 0.022815 0.184898 -0.330962 0.189377 -0.132739 28O 5s 0.770532 -0.199130 0.042458 -0.984953 -0.019481 0.226977 28O 1pz 0.026506 -0.042626 0.035540 -0.009806 -0.008248 -0.009030 28O 1px 0.043227 -0.015631 0.048566 -0.016977 0.023382 -0.026615 28O 1py 0.034644 0.067269 -0.018336 0.011195 0.002058 0.015512 28O 2pz -0.362941 -0.016460 -0.093509 0.222831 -0.126334 0.041341 28O 2px 0.462659 0.006365 0.140369 -0.242142 0.129488 -0.067983 28O 2py -0.054153 0.015894 -0.022350 0.042969 0.011414 0.009348 28O 3pz 0.341979 0.219774 0.085601 0.080890 0.509233 -0.241876 28O 3px -0.020192 -0.120911 -0.036910 -0.287310 -0.155034 0.218085 28O 3py 0.205115 -0.023873 0.341273 -0.072328 0.141370 -0.204861 28O 1dz2 0.003118 -0.000341 0.003143 0.001806 0.001273 -0.001492 28O 1dxz 0.000204 0.000766 0.003192 -0.002391 -0.000619 -0.000171 28O 1dyz 0.002078 0.002640 0.001243 0.001276 0.003691 -0.001095 28O 1dx2y2 -0.003099 0.000062 -0.001311 0.000415 -0.001938 0.000917 28O 1dxy -0.001234 -0.001960 0.000485 -0.001141 -0.002632 0.000176 28O 2dz2 0.071423 0.078947 -0.097353 0.070749 -0.055667 -0.002515 28O 2dxz -0.164010 0.135284 -0.171729 0.111160 -0.043647 0.038303 28O 2dyz -0.029942 -0.014424 0.035081 -0.065517 0.066091 0.003537 28O 2dx2y2 0.141582 0.145485 -0.073779 0.003041 -0.014342 0.061903 28O 2dxy -0.013199 -0.120156 0.083647 0.021580 -0.068242 0.026837 28O 1f0 0.006663 -0.003909 0.003151 -0.002463 -0.001044 -0.000794 28O 1f+1 0.007771 0.001303 -0.003915 -0.003385 0.003745 -0.000334 28O 1f-1 -0.002852 -0.000164 -0.002625 0.000718 -0.001176 0.000885 28O 1f+2 -0.012566 0.000354 -0.002019 0.009857 -0.002230 -0.000396 28O 1f-2 0.001183 -0.002862 0.002668 -0.002409 -0.001819 0.000391 28O 1f+3 -0.007765 -0.000767 -0.002254 0.003984 -0.001021 -0.000183 28O 1f-3 0.000972 -0.001048 0.000704 -0.001791 -0.001702 0.000257 29O 1s 0.005979 -0.003331 -0.005769 0.000716 0.003102 0.003284 29O 2s 0.016335 -0.008745 -0.014874 0.001823 0.007916 0.008508 29O 3s -0.044978 0.022481 0.023456 -0.002872 -0.012506 -0.018347 29O 4s -0.155976 0.148678 0.257041 -0.027068 -0.142078 -0.144505 29O 5s 0.494149 -0.745170 -0.741900 0.072002 0.442314 0.612447 29O 1pz -0.000686 -0.000236 0.015482 -0.013158 0.007216 -0.006057 29O 1px 0.020140 -0.002777 -0.008571 -0.001491 -0.012924 0.002102 29O 1py -0.022904 -0.008772 0.021006 -0.002214 -0.021206 -0.001851 29O 2pz -0.090286 0.058732 -0.107492 -0.058979 -0.035637 -0.006377 29O 2px 0.005125 -0.024370 -0.079713 -0.016213 0.018810 0.036638 29O 2py -0.022017 0.012839 0.018127 0.004165 -0.016240 -0.014551 29O 3pz 0.220229 -0.017678 0.002131 0.051748 0.141088 0.100373 29O 3px -0.372758 0.096572 0.401586 -0.036709 -0.193381 -0.133664 29O 3py 0.118617 0.252483 0.037433 0.011719 0.022393 -0.151276 29O 1dz2 0.000754 -0.000771 0.000937 0.001081 0.000052 0.000677 29O 1dxz -0.001502 -0.000020 -0.002444 -0.002419 -0.001826 -0.000899 29O 1dyz -0.000032 0.001063 -0.001484 -0.000492 -0.000126 -0.000706 29O 1dx2y2 -0.001859 0.001110 -0.000171 -0.000872 0.000459 -0.000618 29O 1dxy -0.002325 -0.001886 0.000523 -0.000227 -0.001048 0.000758 29O 2dz2 0.031238 -0.114287 0.105269 0.059745 0.026141 0.052607 29O 2dxz -0.129797 -0.017271 -0.106737 -0.078773 -0.032258 0.017342 29O 2dyz 0.041503 -0.026346 0.057318 0.040560 0.030677 -0.020978 29O 2dx2y2 0.023361 0.015146 -0.119700 -0.019277 0.081777 0.000189 29O 2dxy 0.005661 0.004482 0.062651 0.015229 -0.082977 -0.037423 29O 1f0 -0.002040 0.002671 -0.000597 -0.000103 0.000206 -0.001307 29O 1f+1 0.000762 -0.000799 -0.000662 -0.000024 -0.000143 0.000889 29O 1f-1 -0.003941 0.003926 -0.005098 -0.002070 -0.001397 -0.000978 29O 1f+2 0.002848 -0.002107 0.001109 0.000560 -0.000012 0.000480 29O 1f-2 0.004516 -0.000539 0.006486 0.003008 0.001140 -0.001552 29O 1f+3 0.001436 -0.000966 -0.003027 -0.000222 0.000565 0.001382 29O 1f-3 -0.000515 0.000916 -0.004367 -0.001248 0.000565 0.000706 30O 1s -0.000690 0.000164 -0.004216 -0.001590 -0.001590 -0.001663 30O 2s -0.001008 0.002048 -0.012279 -0.005612 -0.004784 -0.005436 30O 3s -0.023373 -0.045566 0.039617 0.050703 0.029453 0.034528 30O 4s 0.119491 0.202532 0.086147 -0.132866 -0.042744 -0.084258 30O 5s 1.163272 0.555781 1.156632 -0.909930 -0.603016 -0.128595 30O 1pz 0.031172 0.057624 0.037077 0.032303 -0.007803 0.008626 30O 1px 0.020913 0.008272 0.070852 0.029761 -0.001122 0.009302 30O 1py 0.020000 0.045670 0.000810 0.008124 0.005882 -0.009779 30O 2pz -0.108653 -0.093669 -0.098549 0.119399 0.077632 0.044664 30O 2px 0.143952 0.124089 0.163952 -0.101740 -0.052162 -0.056975 30O 2py 0.134848 0.131918 0.118366 -0.127140 -0.041636 -0.054788 30O 3pz -0.168325 -0.078709 -0.058590 0.110646 0.034777 -0.093157 30O 3px 0.084462 0.053732 0.229807 -0.256062 -0.220498 0.055301 30O 3py -0.158956 -0.040900 -0.360776 -0.192496 -0.266844 0.184040 30O 1dz2 0.001320 0.000772 0.000676 0.001401 0.001795 0.000226 30O 1dxz 0.000242 -0.000587 0.003896 -0.001251 -0.000907 -0.000436 30O 1dyz 0.001064 0.001073 -0.000694 -0.002373 -0.002201 0.000505 30O 1dx2y2 0.002077 0.001644 -0.001900 -0.003047 -0.001282 -0.000091 30O 1dxy 0.000571 -0.002590 -0.004454 0.000263 0.000497 0.000213 30O 2dz2 -0.091200 -0.089796 -0.054247 0.066312 0.129568 -0.003956 30O 2dxz -0.180629 -0.162492 -0.150866 -0.050973 0.005045 -0.019588 30O 2dyz 0.055013 0.042523 0.023649 0.033488 -0.016602 0.047913 30O 2dx2y2 -0.099913 -0.124427 0.007667 -0.035103 0.000681 -0.030924 30O 2dxy -0.043174 -0.040515 -0.062054 -0.091466 -0.059556 0.020935 30O 1f0 0.004064 0.003883 0.001957 -0.002700 -0.000703 -0.001123 30O 1f+1 -0.001835 -0.001316 -0.002952 0.000291 -0.002310 -0.000486 30O 1f-1 -0.002210 -0.001945 -0.001476 -0.003113 -0.003375 -0.000117 30O 1f+2 -0.000034 -0.001396 0.000045 0.001145 0.003189 -0.000030 30O 1f-2 -0.003255 -0.004243 0.003114 0.005016 0.002677 0.002423 30O 1f+3 0.004488 0.003933 -0.002422 -0.001409 0.001514 -0.000579 30O 1f-3 -0.004500 -0.004055 0.000898 0.005793 0.002239 0.000889 31O 1s -0.000549 0.000431 -0.004107 0.001482 -0.001594 0.001941 31O 2s -0.000646 -0.000305 -0.012263 0.005296 -0.004770 0.006357 31O 3s -0.023889 0.039831 0.046526 -0.049550 0.029173 -0.043761 31O 4s 0.113135 -0.213924 0.046773 0.135102 -0.039510 0.109155 31O 5s 1.169410 -0.740861 1.054308 0.906343 -0.632291 0.428573 31O 1pz -0.029767 0.062549 -0.027990 0.032712 0.007156 0.008047 31O 1px -0.019659 0.019130 -0.067929 0.028519 -0.000444 0.005810 31O 1py -0.019551 0.045744 0.006201 0.009067 -0.006671 -0.005102 31O 2pz 0.108140 -0.109156 0.080466 0.119299 -0.078998 0.075538 31O 2px -0.141957 0.149505 -0.139858 -0.104937 0.050450 -0.090278 31O 2py -0.133401 0.150233 -0.093844 -0.128258 0.042646 -0.083245 31O 3pz 0.171046 -0.087276 0.049748 0.109032 -0.053433 -0.058618 31O 3px -0.090950 0.088774 -0.223780 -0.250990 0.236843 -0.019846 31O 3py 0.153493 -0.099625 0.343478 -0.178730 0.291326 0.121854 31O 1dz2 0.001287 -0.000888 0.000556 -0.001346 0.001895 -0.000567 31O 1dxz 0.000269 -0.000009 0.003881 0.001291 -0.001001 0.000690 31O 1dyz 0.001078 -0.000973 -0.000859 0.002230 -0.002337 0.000130 31O 1dx2y2 0.002084 -0.001376 -0.002138 0.002861 -0.001406 0.000488 31O 1dxy 0.000644 0.003202 -0.003942 -0.000307 0.000512 -0.000524 31O 2dz2 -0.092269 0.097938 -0.039137 -0.058634 0.134033 -0.014727 31O 2dxz -0.177978 0.185295 -0.122631 0.050339 0.001962 0.010410 31O 2dyz 0.053123 -0.046298 0.016608 -0.036209 -0.018545 -0.053841 31O 2dx2y2 -0.095593 0.122997 0.028825 0.038915 -0.001157 0.047016 31O 2dxy -0.042750 0.049573 -0.055961 0.090357 -0.064367 -0.005566 31O 1f0 -0.004055 0.004193 -0.001276 -0.002770 0.000748 -0.001884 31O 1f+1 0.001852 -0.001789 0.002715 0.000314 0.002292 -0.000987 31O 1f-1 0.002107 -0.002168 0.001187 -0.002989 0.003572 -0.000474 31O 1f+2 0.000032 -0.001371 -0.000211 0.001116 -0.003194 0.000842 31O 1f-2 0.003305 -0.003777 -0.003706 0.004979 -0.002674 0.003591 31O 1f+3 -0.004426 0.003583 0.003029 -0.001361 -0.001566 -0.000298 31O 1f-3 0.004487 -0.003958 -0.001588 0.005722 -0.002371 0.001871 32O 1s 0.006157 0.004054 -0.004939 -0.000671 0.003013 -0.003825 32O 2s 0.016823 0.010578 -0.012666 -0.001710 0.007710 -0.009817 32O 3s -0.046699 -0.024619 0.017136 0.002680 -0.012602 0.018995 32O 4s -0.162295 -0.183998 0.223945 0.025047 -0.134868 0.177150 32O 5s 0.535999 0.838108 -0.566845 -0.065206 0.416955 -0.712394 32O 1pz -0.000058 0.002222 -0.014836 -0.013761 -0.007401 -0.003990 32O 1px -0.020337 -0.003792 0.008431 -0.000680 0.013378 -0.002487 32O 1py 0.021854 -0.005899 -0.022721 -0.001838 0.021393 -0.008151 32O 2pz 0.091550 0.038626 0.119009 -0.056332 0.038938 -0.010698 32O 2px -0.007894 -0.036384 0.071350 -0.015721 -0.017176 0.041259 32O 2py 0.025841 0.015258 -0.009789 0.003549 0.017323 -0.016606 32O 3pz -0.218430 -0.018119 -0.007269 0.044941 -0.138325 0.110830 32O 3px 0.381672 0.148363 -0.369259 -0.031845 0.191564 -0.164325 32O 3py -0.107487 0.257360 0.013011 0.009424 -0.033163 -0.150617 32O 1dz2 0.000783 0.000623 0.001098 -0.001064 0.000047 -0.000550 32O 1dxz -0.001411 0.000407 -0.002423 0.002295 -0.001940 0.001084 32O 1dyz -0.000078 -0.000798 -0.001623 0.000457 -0.000120 0.000681 32O 1dx2y2 -0.001888 -0.001044 -0.000336 0.000882 0.000526 0.000369 32O 1dxy -0.002309 0.001819 0.000788 0.000203 -0.001157 -0.000636 32O 2dz2 0.032851 0.094520 0.125084 -0.055125 0.027684 -0.061026 32O 2dxz -0.127291 0.035014 -0.102862 0.076656 -0.036399 -0.016196 32O 2dyz 0.042168 0.019405 0.064588 -0.039536 0.036851 0.007638 32O 2dx2y2 0.021061 0.003267 -0.123408 0.021975 0.081825 -0.022304 32O 2dxy 0.002656 -0.012549 0.053309 -0.015964 -0.083666 0.061029 32O 1f0 0.002032 0.002287 0.000978 -0.000002 -0.000310 -0.001033 32O 1f+1 -0.000781 -0.000945 0.000584 -0.000110 0.000218 0.000779 32O 1f-1 0.004142 0.003029 0.005943 -0.001913 0.001550 -0.001276 32O 1f+2 -0.003069 -0.001927 -0.001629 0.000534 -0.000065 0.000493 32O 1f-2 -0.004497 0.000490 -0.006551 0.002924 -0.001358 -0.001393 32O 1f+3 -0.001702 -0.001368 0.002387 -0.000102 -0.000525 0.001402 32O 1f-3 0.000525 0.000243 0.004464 -0.001259 -0.000517 0.000768 33O 1s -0.003010 0.000384 -0.001866 -0.000955 -0.001678 -0.003140 33O 2s -0.004439 0.000939 -0.004430 0.000057 -0.003878 -0.008050 33O 3s -0.088573 0.000384 -0.008027 -0.064369 -0.008623 0.012825 33O 4s 0.633565 -0.054925 0.173894 0.334261 0.180271 0.131866 33O 5s 0.778994 0.180093 0.038232 0.975236 -0.074553 -0.275202 33O 1pz -0.027835 -0.036947 -0.042478 -0.009512 0.008036 -0.011499 33O 1px -0.043612 -0.007630 -0.050050 -0.018491 -0.023601 -0.026104 33O 1py -0.034065 0.064084 0.027988 0.012549 -0.000815 0.021268 33O 2pz 0.363841 -0.034133 0.082444 0.226087 0.117429 0.031895 33O 2px -0.466054 0.031386 -0.131401 -0.244904 -0.120617 -0.059411 33O 2py 0.054791 0.011721 0.022226 0.042616 -0.011826 0.012347 33O 3pz -0.336541 0.234857 -0.052005 0.053936 -0.513192 -0.188419 33O 3px 0.010843 -0.126764 0.018069 -0.275611 0.177019 0.214423 33O 3py -0.207838 0.030913 -0.341779 -0.087180 -0.152681 -0.222007 33O 1dz2 0.003148 -0.000091 0.003264 -0.001755 0.001376 0.001421 33O 1dxz 0.000187 -0.001211 0.002969 0.002398 -0.000701 0.000320 33O 1dyz 0.002020 -0.002787 0.000884 -0.001170 0.003781 0.000606 33O 1dx2y2 -0.003135 0.000139 -0.001357 -0.000447 -0.001940 -0.000643 33O 1dxy -0.001252 0.001902 0.000666 0.001016 -0.002684 0.000021 33O 2dz2 0.068929 -0.064198 -0.109649 -0.078953 -0.050842 0.004280 33O 2dxz -0.167409 -0.106536 -0.188221 -0.115877 -0.039079 -0.043949 33O 2dyz -0.028351 0.009569 0.037523 0.070623 0.061187 -0.008760 33O 2dx2y2 0.139364 -0.135671 -0.096691 -0.008957 -0.015214 -0.073408 33O 2dxy -0.013312 0.105658 0.101004 -0.023160 -0.067529 -0.021221 33O 1f0 -0.006776 -0.003319 -0.003566 -0.002406 0.001073 -0.001066 33O 1f+1 -0.007736 0.000811 0.004271 -0.003371 -0.003639 -0.000056 33O 1f-1 0.002864 -0.000584 0.002511 0.000832 0.001202 0.000834 33O 1f+2 0.012684 -0.000076 0.001784 0.009826 0.001713 -0.000479 33O 1f-2 -0.001339 -0.002465 -0.003080 -0.002362 0.001955 0.000110 33O 1f+3 0.007824 -0.001181 0.001963 0.003961 0.000805 -0.000327 33O 1f-3 -0.001030 -0.000962 -0.000806 -0.001747 0.001836 0.000105 34O 1s -0.001215 -0.001179 0.003091 -0.000798 0.001134 -0.000867 34O 2s -0.002980 -0.003875 0.005292 -0.000668 0.001952 -0.002152 34O 3s -0.008240 0.028798 0.077739 -0.037332 0.014045 0.002473 34O 4s 0.090253 -0.038733 -0.611805 0.226429 -0.141491 0.010083 34O 5s 0.953969 -0.617207 -0.871116 0.592187 0.258416 0.064373 34O 1pz 0.007691 -0.065654 0.055479 -0.033253 0.011213 -0.009479 34O 1px 0.010901 -0.003490 -0.019502 0.003945 -0.002475 0.001095 34O 1py 0.019157 -0.028853 -0.035100 -0.012748 0.026953 -0.013571 34O 2pz -0.001741 -0.014010 0.041653 -0.010333 -0.025158 0.003729 34O 2px 0.169971 -0.066945 -0.561118 0.175957 -0.017450 -0.014588 34O 2py -0.058911 0.025915 0.112862 -0.069253 0.005070 0.000370 34O 3pz -0.206637 0.125624 -0.000760 0.056319 -0.082723 0.030537 34O 3px 0.016299 -0.308793 0.115822 0.234146 -0.145333 0.160762 34O 3py -0.052057 0.144500 -0.418637 0.156037 -0.046409 -0.028667 34O 1dz2 -0.000571 -0.001032 -0.001239 0.001821 -0.000824 0.000450 34O 1dxz 0.000394 0.002117 -0.002473 0.000432 0.002531 -0.000985 34O 1dyz 0.000940 -0.000916 0.001855 -0.000541 -0.000215 0.001049 34O 1dx2y2 0.001128 -0.000869 0.001994 0.000440 0.001946 0.000247 34O 1dxy 0.001852 -0.002004 0.004059 0.001860 0.000750 0.001266 34O 2dz2 0.102240 -0.194076 0.246362 -0.198422 0.105337 -0.038976 34O 2dxz -0.079438 0.039658 0.023433 0.050564 0.011827 0.009189 34O 2dyz -0.017035 0.114675 -0.058895 0.063524 -0.090018 0.034846 34O 2dx2y2 0.071774 -0.122889 -0.091765 -0.065379 0.096592 -0.020230 34O 2dxy -0.070599 0.054119 -0.002774 0.052857 0.042439 -0.033665 34O 1f0 0.000175 -0.001232 -0.002294 0.002303 0.000744 0.001237 34O 1f+1 -0.000894 0.000475 0.011174 -0.004132 0.000605 0.000036 34O 1f-1 0.000022 -0.001619 -0.002179 0.001708 -0.000138 -0.000265 34O 1f+2 -0.001728 -0.001097 0.004028 0.000358 -0.002177 0.001015 34O 1f-2 0.000994 -0.000518 -0.000836 0.002323 0.000383 0.001231 34O 1f+3 -0.003646 0.004697 0.009728 -0.002291 -0.000227 -0.000920 34O 1f-3 0.004451 -0.002372 -0.006264 0.002188 0.001553 0.000333 35O 1s 0.004222 -0.000547 0.002889 0.003348 0.002583 0.003896 35O 2s 0.011905 -0.000560 0.007355 0.009150 0.006445 0.009857 35O 3s -0.036374 -0.022783 0.010678 -0.038862 -0.004393 -0.013566 35O 4s -0.100148 0.153872 -0.221359 -0.016810 -0.141562 -0.172731 35O 5s -1.025687 0.447762 -1.687367 0.725039 -0.301483 0.268895 35O 1pz 0.036961 0.026660 0.058508 0.022934 -0.007536 0.007796 35O 1px -0.043558 0.034947 -0.020379 -0.010951 -0.033072 -0.018680 35O 1py -0.003678 -0.063195 -0.021018 -0.010169 0.020000 -0.002177 35O 2pz -0.040184 0.023210 -0.053313 0.037131 -0.021321 -0.007698 35O 2px -0.187503 0.146864 -0.367363 0.074797 -0.126762 -0.064204 35O 2py -0.103498 0.045912 -0.171090 0.058833 -0.085474 -0.020425 35O 3pz 0.363664 -0.147828 0.197452 0.117260 0.345964 0.129985 35O 3px -0.117508 -0.084872 -0.131224 0.322121 0.088271 0.204157 35O 3py 0.250232 0.121878 0.393849 0.116100 0.168321 0.084846 35O 1dz2 -0.004439 0.001154 -0.001863 0.000728 -0.001484 -0.000984 35O 1dxz 0.000671 -0.000898 -0.000218 -0.002074 -0.000746 -0.000595 35O 1dyz -0.001626 0.000897 0.000110 -0.001347 -0.000861 -0.001044 35O 1dx2y2 0.003166 -0.001860 0.002171 0.001403 0.000060 0.001058 35O 1dxy 0.002860 0.000235 0.000044 -0.000497 0.002549 0.000404 35O 2dz2 0.052598 0.221927 0.212385 -0.014515 -0.094848 0.075626 35O 2dxz 0.056616 0.040617 0.011175 -0.002998 -0.081469 -0.059890 35O 2dyz -0.027328 -0.144078 -0.102559 0.015109 0.044836 -0.024936 35O 2dx2y2 -0.023006 0.076073 -0.070269 0.042927 -0.091505 0.027073 35O 2dxy -0.025484 0.148950 0.051614 -0.017372 0.002346 0.034240 35O 1f0 -0.001851 -0.000981 0.001405 -0.001991 -0.000719 -0.000388 35O 1f+1 -0.002208 -0.000394 0.007130 -0.004384 -0.000502 -0.000011 35O 1f-1 -0.003579 0.000213 0.000172 -0.003244 0.000121 -0.000980 35O 1f+2 0.004693 0.001698 0.000215 0.001256 0.002277 0.000616 35O 1f-2 -0.000214 -0.000996 -0.002166 0.000084 0.000716 -0.000308 35O 1f+3 -0.000524 -0.001426 0.003229 -0.002780 -0.001726 -0.001030 35O 1f-3 -0.002034 -0.003970 0.004503 -0.004295 0.000863 -0.000540 324 325 326 327 328 329 1.53780 1.54032 1.54246 1.55021 1.55474 1.55690 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s -0.000934 0.001495 -0.000739 -0.001579 -0.000047 -0.000249 0Rh 2s 0.004435 -0.005585 0.002734 0.006051 0.000178 0.001005 0Rh 3s -0.002756 0.005338 -0.002653 -0.005548 -0.000166 -0.000843 0Rh 4s -0.021317 0.026420 -0.012940 -0.028748 -0.000849 -0.004800 0Rh 5s 0.025775 -0.020007 0.009757 0.024273 0.000770 0.004670 0Rh 6s 0.027542 -0.089259 0.044176 0.084570 0.002095 0.011041 0Rh 7s -0.388575 0.285540 -0.317162 -0.914458 -0.009046 -0.146335 0Rh 8s 0.199464 -0.020824 -0.217142 0.234618 0.000388 0.059920 0Rh 1pz -0.002442 -0.003650 -0.002398 -0.003126 0.000614 0.000663 0Rh 1px 0.002538 0.004269 0.004983 0.002056 0.000619 0.001515 0Rh 1py -0.001025 -0.000795 -0.003215 0.007964 -0.001377 -0.001691 0Rh 2pz 0.008333 0.012215 0.008181 0.010746 -0.002139 -0.002716 0Rh 2px -0.008755 -0.013946 -0.017035 -0.008256 -0.002225 -0.005388 0Rh 2py 0.002721 0.002677 0.010781 -0.027262 0.004681 0.005336 0Rh 3pz -0.002498 0.001800 -0.002673 -0.005014 0.002188 0.010079 0Rh 3px 0.004833 -0.009111 0.005689 0.028470 0.003190 0.006181 0Rh 3py 0.014845 0.000064 0.000568 0.009828 -0.001145 0.007157 0Rh 4pz -0.037986 -0.081164 -0.034765 -0.040697 -0.000933 -0.024302 0Rh 4px 0.029405 0.121034 0.076487 -0.067611 -0.001363 0.005973 0Rh 4py -0.072466 -0.016449 -0.063687 0.117627 -0.021490 -0.057457 0Rh 5pz 0.044920 0.151989 0.040167 0.038858 0.023858 0.068883 0Rh 5px -0.021194 -0.234595 -0.110403 0.163972 0.013382 0.010308 0Rh 5py 0.132208 0.031256 0.099079 -0.130674 0.029794 0.092060 0Rh 6pz 0.340334 -0.699663 0.159914 0.469465 -0.359688 -1.070904 0Rh 6px -0.198103 1.581677 0.147433 -0.495924 -0.213909 -0.398566 0Rh 6py -0.555293 0.052709 0.077488 -1.654612 0.034356 -0.229680 0Rh 1dz2 0.006586 -0.004626 -0.001951 0.001627 0.011617 -0.009751 0Rh 1dxz 0.006276 -0.003336 -0.001995 0.009944 0.003387 0.009753 0Rh 1dyz 0.001018 -0.008049 0.003258 0.003007 -0.004747 -0.025891 0Rh 1dx2y2 -0.007727 0.000837 -0.001239 -0.009938 0.005740 -0.002119 0Rh 1dxy 0.004060 0.002399 -0.000104 -0.007696 -0.002231 -0.007907 0Rh 2dz2 -0.001022 0.000486 0.000378 -0.000190 -0.001968 0.000831 0Rh 2dxz -0.001379 0.000517 0.000483 -0.002511 -0.000610 -0.001700 0Rh 2dyz -0.000163 0.000151 -0.000850 -0.000506 0.001926 0.002799 0Rh 2dx2y2 0.001874 -0.000381 -0.000042 0.001859 -0.000489 0.000150 0Rh 2dxy -0.002413 -0.000567 -0.000620 0.000978 0.000613 -0.000214 0Rh 3dz2 -0.010837 0.008633 0.002875 -0.002930 -0.018555 0.018918 0Rh 3dxz -0.008662 0.005574 0.002512 -0.012352 -0.005325 -0.015350 0Rh 3dyz -0.001630 0.017984 -0.003915 -0.004858 0.002696 0.047970 0Rh 3dx2y2 0.009844 -0.000329 0.003134 0.014998 -0.011361 0.004283 0Rh 3dxy 0.000945 -0.003106 0.003040 0.013787 0.002545 0.019199 0Rh 4dz2 -0.020314 0.010192 0.007863 -0.003927 -0.038728 0.022618 0Rh 4dxz -0.023737 0.008516 0.009330 -0.042490 -0.010305 -0.033404 0Rh 4dyz -0.003037 0.009565 -0.014069 -0.008762 0.031127 0.063320 0Rh 4dx2y2 0.032270 -0.004121 -0.000621 0.035145 -0.010507 0.003373 0Rh 4dxy -0.037429 -0.010304 -0.010591 0.018098 0.010198 0.004990 0Rh 5dz2 0.075646 -0.005990 -0.038275 0.011411 0.158835 -0.104991 0Rh 5dxz 0.071855 0.015886 -0.043383 0.143440 0.023810 0.145097 0Rh 5dyz 0.009755 -0.033731 0.042071 0.013800 -0.099836 -0.230317 0Rh 5dx2y2 -0.110670 -0.054231 0.014317 -0.136652 0.028708 -0.002634 0Rh 5dxy 0.153141 0.021054 0.057950 -0.029012 -0.030084 -0.016748 0Rh 1f0 -0.015777 -0.003283 0.001926 0.034482 -0.025753 -0.015370 0Rh 1f+1 -0.007759 0.020130 -0.007451 -0.017425 0.006875 0.004760 0Rh 1f-1 -0.029766 -0.013084 -0.023395 0.005343 0.015392 -0.035598 0Rh 1f+2 -0.018607 -0.020185 -0.006144 -0.006175 -0.015636 -0.006593 0Rh 1f-2 -0.015321 0.023602 -0.010807 0.016126 -0.005616 0.003101 0Rh 1f+3 -0.001029 -0.003490 -0.010391 -0.055313 -0.005782 -0.007180 0Rh 1f-3 -0.011550 -0.005601 0.012270 0.009008 0.000658 -0.016649 1Rh 1s -0.000711 -0.001513 0.000790 -0.001544 -0.000023 -0.000243 1Rh 2s 0.003580 0.005684 -0.002885 0.005894 0.000096 0.000990 1Rh 3s -0.001974 -0.005385 0.002861 -0.005435 -0.000074 -0.000818 1Rh 4s -0.017264 -0.026903 0.013639 -0.028003 -0.000459 -0.004733 1Rh 5s 0.022503 0.020703 -0.009904 0.023520 0.000436 0.004693 1Rh 6s 0.014745 0.089321 -0.048282 0.082890 0.001232 0.010370 1Rh 7s -0.342922 -0.291301 0.356174 -0.913462 -0.027037 -0.131279 1Rh 8s 0.188506 0.025745 0.209521 0.221827 0.007105 0.079937 1Rh 1pz 0.002519 -0.003710 -0.002433 0.003157 0.000893 -0.000794 1Rh 1px -0.003220 0.004205 0.005087 -0.002328 0.000399 -0.001145 1Rh 1py 0.001131 -0.000782 -0.003022 -0.008105 -0.001477 0.001874 1Rh 2pz -0.008561 0.012435 0.008330 -0.010831 -0.003090 0.003163 1Rh 2px 0.010997 -0.013726 -0.017441 0.009169 -0.001421 0.004148 1Rh 2py -0.003090 0.002643 0.010102 0.027738 0.005036 -0.005961 1Rh 3pz 0.001858 0.001399 -0.003325 0.004570 0.002501 -0.010162 1Rh 3px -0.003636 -0.009224 0.006899 -0.028376 0.001864 -0.006247 1Rh 3py -0.014580 -0.000098 0.001235 -0.009872 -0.001573 -0.006910 1Rh 4pz 0.041703 -0.080907 -0.033035 0.043097 0.003332 0.022127 1Rh 4px -0.047880 0.120177 0.073864 0.061938 -0.000630 0.001513 1Rh 4py 0.073874 -0.015598 -0.062354 -0.120276 -0.021863 0.060129 1Rh 5pz -0.050840 0.150923 0.036177 -0.043885 0.018394 -0.066103 1Rh 5px 0.057126 -0.233428 -0.103500 -0.154847 0.009148 -0.021864 1Rh 5py -0.135559 0.029420 0.098736 0.135074 0.029128 -0.095961 1Rh 6pz -0.316632 -0.675485 0.184670 -0.434875 -0.381486 1.074166 1Rh 6px -0.029296 1.584675 0.118807 0.463490 -0.186552 0.432346 1Rh 6py 0.555123 0.067072 0.021244 1.641635 0.074727 0.226873 1Rh 1dz2 0.006973 0.004525 0.001937 0.001669 -0.011446 -0.009553 1Rh 1dxz 0.006343 0.003626 0.001869 0.010138 -0.002890 0.009992 1Rh 1dyz 0.002044 0.007932 -0.003191 0.002467 0.004921 -0.026038 1Rh 1dx2y2 -0.006819 -0.000786 0.001831 -0.009497 -0.006499 -0.002335 1Rh 1dxy 0.005156 -0.002392 0.000361 -0.007534 0.001743 -0.008309 1Rh 2dz2 -0.001028 -0.000492 -0.000350 -0.000178 0.001954 0.000727 1Rh 2dxz -0.001337 -0.000540 -0.000451 -0.002486 0.000466 -0.001790 1Rh 2dyz -0.000166 -0.000127 0.000843 -0.000399 -0.001946 0.002766 1Rh 2dx2y2 0.001733 0.000392 -0.000094 0.001734 0.000638 0.000261 1Rh 2dxy -0.002464 0.000534 0.000624 0.000974 -0.000604 -0.000163 1Rh 3dz2 -0.011696 -0.008376 -0.002961 -0.003085 0.018218 0.018912 1Rh 3dxz -0.009000 -0.006145 -0.002355 -0.012918 0.004788 -0.015509 1Rh 3dyz -0.003990 -0.017814 0.003790 -0.004068 -0.003016 0.048454 1Rh 3dx2y2 0.008337 0.000170 -0.003916 0.014518 0.012482 0.004288 1Rh 3dxy -0.001377 0.003227 -0.003653 0.013428 -0.001447 0.019917 1Rh 4dz2 -0.020960 -0.010122 -0.007486 -0.003777 0.038377 0.020886 1Rh 4dxz -0.023319 -0.009153 -0.008796 -0.042204 0.007968 -0.034965 1Rh 4dyz -0.004003 -0.009137 0.013880 -0.006755 -0.031531 0.062972 1Rh 4dx2y2 0.029806 0.004173 -0.001810 0.032919 0.013216 0.005358 1Rh 4dxy -0.039016 0.009856 0.010447 0.017891 -0.009676 0.006062 1Rh 5dz2 0.083195 0.005298 0.037258 0.011279 -0.157277 -0.097698 1Rh 5dxz 0.075508 -0.012616 0.041939 0.141914 -0.016296 0.151304 1Rh 5dyz 0.014433 0.032243 -0.040496 0.006277 0.101175 -0.229247 1Rh 5dx2y2 -0.110877 0.054089 -0.005550 -0.128777 -0.038450 -0.012063 1Rh 5dxy 0.155233 -0.019325 -0.058499 -0.028553 0.029018 -0.020828 1Rh 1f0 0.013655 -0.003657 0.002421 -0.034596 -0.026777 0.015577 1Rh 1f+1 0.011067 0.019758 -0.008025 0.016228 0.008362 -0.006516 1Rh 1f-1 0.027519 -0.012242 -0.023261 -0.004708 0.015689 0.035392 1Rh 1f+2 0.014579 -0.020760 -0.008063 0.006657 -0.014731 0.006221 1Rh 1f-2 0.018791 0.023794 -0.010882 -0.016052 -0.005572 -0.003874 1Rh 1f+3 0.002952 -0.003200 -0.011777 0.055676 -0.003491 0.006194 1Rh 1f-3 0.007967 -0.005563 0.011985 -0.007519 0.001258 0.016858 2C 1s -0.007065 -0.022993 -0.024636 -0.009608 0.009965 -0.020356 2C 2s -0.021569 -0.069595 -0.074352 -0.027868 0.030484 -0.060890 2C 3s 0.241452 0.769187 0.825418 0.279734 -0.330882 0.742069 2C 4s -0.626701 -1.942888 -2.081702 -0.582300 0.858385 -2.010963 2C 5s 0.323067 3.367078 3.883336 1.326798 -1.690849 3.104434 2C 1pz -0.004639 -0.080030 -0.018501 0.049482 -0.086015 -0.322329 2C 1px -0.046942 -0.141310 -0.142156 -0.092230 0.194364 -0.070308 2C 1py -0.055096 -0.130696 -0.228572 -0.186660 0.114536 0.015008 2C 2pz 0.021909 0.365156 0.212642 0.037796 0.241805 1.059449 2C 2px 0.140039 0.532011 0.441692 0.359971 -0.616195 0.232383 2C 2py 0.183295 0.506976 0.791503 0.730135 -0.402885 0.018210 2C 3pz 0.005339 0.276477 0.470696 0.331614 -0.422373 -0.019892 2C 3px -0.064497 -0.245496 -0.234559 -0.117128 0.243577 -0.065012 2C 3py -0.158511 0.134964 0.077595 -0.300477 0.146947 0.426095 2C 1dz2 -0.001950 0.001233 -0.002540 0.002245 -0.009754 0.000129 2C 1dxz 0.001655 -0.009839 -0.001417 -0.004350 0.003707 -0.001294 2C 1dyz -0.000102 0.005324 0.005814 -0.003681 0.004544 0.006094 2C 1dx2y2 0.005239 0.002802 0.004539 0.010621 -0.009325 -0.002422 2C 1dxy 0.000282 -0.009212 -0.008166 -0.006070 0.001071 0.007286 2C 2dz2 0.087861 0.193021 0.263342 0.182199 -0.040536 0.167540 2C 2dxz -0.008234 0.069292 0.103349 0.131321 0.105077 0.068130 2C 2dyz 0.092547 0.296205 0.281887 0.203156 -0.156618 0.346722 2C 2dx2y2 0.059527 0.020705 0.087412 0.090406 -0.145905 -0.226165 2C 2dxy -0.054434 -0.015679 -0.153714 -0.096435 0.092945 0.237676 2C 1f0 0.002200 -0.010692 -0.002297 0.003861 -0.012509 -0.037412 2C 1f+1 0.005096 -0.008647 -0.012677 -0.005885 0.001938 -0.001822 2C 1f-1 -0.019136 -0.030535 -0.035998 -0.017567 0.011950 -0.043616 2C 1f+2 -0.006237 0.041115 0.040847 0.015727 -0.011295 0.057344 2C 1f-2 -0.024886 -0.047061 -0.052704 -0.021990 0.024261 -0.059208 2C 1f+3 0.016660 0.039924 0.048231 0.021315 -0.011935 0.037737 2C 1f-3 -0.016408 0.014297 0.001953 0.002526 -0.012335 0.010798 3C 1s -0.011192 0.005211 0.022906 -0.010580 0.024201 0.016559 3C 2s -0.033445 0.016041 0.069212 -0.030976 0.073235 0.049544 3C 3s 0.367071 -0.174566 -0.766381 0.322666 -0.811279 -0.622652 3C 4s -0.884476 0.431326 1.952423 -0.715120 2.047827 1.741582 3C 5s 1.984128 -0.401145 -3.368121 1.064141 -4.155656 -2.645768 3C 1pz -0.050546 -0.111390 -0.088359 -0.075276 -0.083508 0.009431 3C 1px -0.081053 0.004800 0.137709 -0.175647 -0.171224 -0.063169 3C 1py 0.049032 -0.079830 -0.188144 -0.014515 -0.283113 -0.311094 3C 2pz 0.259363 0.290208 0.191017 0.381837 0.169498 -0.068161 3C 2px 0.267736 0.064369 -0.512217 0.537253 0.500939 0.232049 3C 2py -0.268778 0.276972 0.681425 -0.142553 1.028231 0.992743 3C 3pz 0.107940 -0.134069 -0.403740 -0.088949 -0.677573 -0.344926 3C 3px -0.056625 0.068272 0.093074 -0.359489 -0.494214 -0.238271 3C 3py -0.181783 -0.035388 0.139907 -0.208075 0.013886 -0.086217 3C 1dz2 -0.000155 0.008626 0.004834 -0.001625 -0.008501 0.001694 3C 1dxz -0.002795 -0.003376 0.002384 -0.008768 -0.012481 -0.010096 3C 1dyz 0.000159 -0.002526 0.006300 0.004884 0.005142 0.007767 3C 1dx2y2 -0.001913 -0.007727 -0.000622 0.002700 -0.011412 -0.002793 3C 1dxy 0.003446 0.004296 -0.010053 -0.003348 0.000998 0.003797 3C 2dz2 -0.003874 0.011807 0.053341 0.010788 0.109267 0.103315 3C 2dxz 0.028612 0.012529 -0.102902 -0.190267 -0.352227 -0.276282 3C 2dyz -0.113322 0.177314 0.363886 -0.178936 0.206938 0.279326 3C 2dx2y2 -0.130332 -0.032760 -0.007214 -0.277435 0.007533 0.121239 3C 2dxy -0.106531 -0.113407 0.103627 -0.069691 0.076371 0.110323 3C 1f0 -0.012367 -0.015008 0.002698 -0.002421 0.001186 -0.005086 3C 1f+1 0.011064 0.016873 -0.013559 -0.015025 0.013602 0.011389 3C 1f-1 -0.006654 0.017875 0.027194 -0.012431 0.037229 0.033619 3C 1f+2 0.026406 -0.015030 -0.059090 0.032238 -0.063861 -0.070200 3C 1f-2 0.036585 0.005980 -0.053741 0.009579 -0.043557 -0.049873 3C 1f+3 -0.006988 0.008184 0.003547 -0.028311 -0.001152 0.004600 3C 1f-3 0.003461 0.016322 0.005449 -0.018981 -0.016457 -0.009113 4C 1s 0.004129 0.010640 0.012116 0.004500 -0.004652 0.022993 4C 2s 0.013661 0.035265 0.040251 0.015893 -0.015251 0.073222 4C 3s -0.179551 -0.539825 -0.605890 -0.261736 0.245776 -0.991797 4C 4s 0.557244 1.624765 1.792728 0.978845 -0.873538 2.716153 4C 5s -0.294461 -1.151937 -0.996221 -0.238987 0.781205 -1.444331 4C 1pz 0.002544 0.003434 0.025736 -0.040288 0.131601 0.030334 4C 1px -0.061395 0.010487 0.055548 -0.045183 0.047039 0.000427 4C 1py 0.030916 -0.046762 -0.075329 0.136635 -0.182980 -0.103109 4C 2pz 0.066270 0.501897 0.512559 0.425613 -0.406640 0.596453 4C 2px 0.269035 0.030113 -0.188074 0.306303 0.072582 0.531837 4C 2py 0.074776 0.419770 0.426944 0.117234 0.243399 0.741249 4C 3pz -0.476635 0.629339 1.025742 0.139118 -0.251194 0.284742 4C 3px 0.180218 -0.020284 0.409253 -0.125604 0.121010 0.074240 4C 3py -0.056168 0.263226 0.627801 0.398197 -0.383116 0.043922 4C 1dz2 0.000521 -0.002754 0.000734 -0.005811 0.010384 0.002088 4C 1dxz -0.005753 -0.001308 -0.008219 -0.005820 0.011846 -0.005304 4C 1dyz -0.003574 -0.004478 -0.004029 -0.005138 0.003281 0.011106 4C 1dx2y2 0.003811 0.011445 0.012215 0.007994 0.006471 0.007045 4C 1dxy -0.002234 0.007820 0.009573 0.002444 -0.016750 -0.003591 4C 2dz2 -0.002845 -0.256173 -0.110170 -0.292395 0.085646 -0.316042 4C 2dxz -0.006685 0.006287 -0.279112 0.028968 0.037402 -0.105449 4C 2dyz -0.026871 -0.099478 -0.070397 -0.121153 -0.017369 -0.118147 4C 2dx2y2 0.035847 0.286292 0.317269 0.281796 -0.042362 0.401592 4C 2dxy -0.017690 0.214718 0.035165 0.109620 0.045904 0.276001 4C 1f0 -0.000456 -0.014686 -0.014669 0.000870 -0.007549 -0.023899 4C 1f+1 -0.008554 -0.031043 -0.031968 -0.022947 0.022464 -0.045231 4C 1f-1 -0.008746 -0.005476 -0.008620 -0.001192 0.014416 -0.001478 4C 1f+2 -0.002830 0.027355 0.027798 0.002842 -0.010601 0.031245 4C 1f-2 0.005544 -0.009376 -0.008549 0.004693 0.005565 0.010073 4C 1f+3 0.006343 -0.005572 -0.004011 -0.000002 -0.008600 -0.006937 4C 1f-3 -0.013631 -0.021566 -0.025216 -0.011496 0.003241 -0.054756 5C 1s 0.004358 -0.003430 -0.012433 0.005174 -0.011690 -0.019880 5C 2s 0.014960 -0.010949 -0.040682 0.017956 -0.038845 -0.062850 5C 3s -0.264427 0.174004 0.574010 -0.273808 0.614068 0.840198 5C 4s 0.854345 -0.640923 -1.678893 0.978462 -1.915629 -2.213578 5C 5s -0.433605 0.172624 1.081530 -0.332235 1.409840 1.265854 5C 1pz 0.019333 -0.073765 -0.062345 0.111387 0.210173 0.105731 5C 1px 0.077737 0.051625 -0.032370 0.003170 0.050961 0.033816 5C 1py 0.023337 -0.025564 -0.075195 0.017730 0.120963 0.018124 5C 2pz 0.296063 0.030739 -0.176385 0.150714 -0.623532 -0.600829 5C 2px -0.435257 -0.094995 -0.135236 -0.063927 -0.302517 -0.142197 5C 2py -0.422010 0.166784 0.586148 -0.443165 0.247162 0.606850 5C 3pz 0.422112 0.090231 -0.408813 -0.023246 -0.343201 0.070349 5C 3px 0.084643 -0.494782 -0.003001 0.774102 -0.412684 -0.188161 5C 3py -0.584375 -0.222890 0.645661 0.268458 1.312528 0.187690 5C 1dz2 -0.003577 -0.003024 0.004942 -0.004006 0.007673 0.004159 5C 1dxz -0.002435 0.001607 0.000872 -0.006250 0.029350 0.005492 5C 1dyz 0.002267 0.003496 0.001370 0.002531 -0.002858 0.009903 5C 1dx2y2 0.006334 -0.004950 -0.015210 0.006572 -0.000187 0.005092 5C 1dxy -0.003032 -0.008207 -0.002786 0.008641 0.003595 0.002144 5C 2dz2 -0.038524 -0.071403 0.112928 0.038994 0.195971 0.130460 5C 2dxz -0.204831 0.160051 0.087090 -0.299680 0.186627 0.256602 5C 2dyz -0.055530 0.096331 -0.077580 -0.035315 -0.012084 0.056134 5C 2dx2y2 0.165893 0.117107 -0.350873 0.051218 -0.260291 -0.247131 5C 2dxy 0.248507 -0.262362 0.028264 0.380501 -0.178443 -0.261515 5C 1f0 -0.012698 0.008103 0.011528 -0.012024 -0.003562 0.016852 5C 1f+1 0.004438 0.005369 0.006779 -0.004903 0.023833 0.032073 5C 1f-1 -0.000813 -0.005834 -0.005495 0.003063 -0.000102 -0.000243 5C 1f+2 -0.000645 -0.015833 -0.004448 0.001990 -0.010832 0.001757 5C 1f-2 0.022908 0.001100 -0.022237 0.001711 -0.025045 -0.030160 5C 1f+3 -0.009963 0.008813 0.034034 -0.013468 0.021273 0.018264 5C 1f-3 0.014672 -0.012470 -0.023236 0.015151 -0.041329 -0.049856 6C 1s 0.003575 0.003478 0.012478 0.005154 0.011729 -0.020515 6C 2s 0.012360 0.011147 0.040793 0.017888 0.039032 -0.064879 6C 3s -0.223001 -0.178112 -0.575007 -0.270485 -0.617690 0.865135 6C 4s 0.729980 0.652336 1.670222 0.964228 1.937796 -2.281819 6C 5s -0.310224 -0.194056 -1.096670 -0.321322 -1.403209 1.277017 6C 1pz -0.024189 -0.077412 -0.061365 -0.119800 0.205880 -0.108468 6C 1px -0.072333 0.049783 -0.030897 -0.006469 0.048993 -0.034759 6C 1py -0.022786 -0.027943 -0.076611 -0.024872 0.120724 -0.019593 6C 2pz -0.258424 0.032796 -0.168728 -0.135531 -0.626867 0.616630 6C 2px 0.426384 -0.097120 -0.149270 0.066119 -0.295622 0.142280 6C 2py 0.374943 0.173677 0.577167 0.450956 0.259700 -0.618739 6C 3pz -0.421631 0.073991 -0.412158 0.018721 -0.347923 -0.063381 6C 3px -0.068398 -0.496206 0.005898 -0.763203 -0.432099 0.210647 6C 3py 0.552688 -0.210939 0.656668 -0.294232 1.303814 -0.212268 6C 1dz2 -0.003349 0.002541 -0.005142 -0.004213 -0.007781 0.004506 6C 1dxz -0.001313 -0.001779 -0.000830 -0.005652 -0.029567 0.005711 6C 1dyz 0.002325 -0.003206 -0.001522 0.002652 0.003157 0.010030 6C 1dx2y2 0.006403 0.004831 0.014627 0.006909 0.000646 0.005073 6C 1dxy -0.003360 0.008098 0.002691 0.008803 -0.003450 0.002273 6C 2dz2 -0.037070 0.067909 -0.117397 0.039455 -0.195498 0.134376 6C 2dxz -0.177410 -0.161933 -0.079165 -0.295306 -0.193262 0.264952 6C 2dyz -0.046946 -0.094649 0.077501 -0.031611 0.013563 0.057821 6C 2dx2y2 0.154834 -0.111357 0.352681 0.053363 0.263242 -0.251931 6C 2dxy 0.210546 0.260011 -0.041509 0.371117 0.188458 -0.270464 6C 1f0 0.011759 0.008208 0.011093 0.011987 -0.003311 -0.017306 6C 1f+1 -0.005421 0.005201 0.007058 0.004505 0.023853 -0.032851 6C 1f-1 0.001310 -0.005737 -0.005509 -0.002979 0.000001 0.000064 6C 1f+2 0.001187 -0.015707 -0.004372 -0.001708 -0.010553 -0.001909 6C 1f-2 -0.021524 0.001057 -0.022009 -0.001504 -0.025102 0.030826 6C 1f+3 0.007679 0.009415 0.034258 0.013936 0.021566 -0.018953 6C 1f-3 -0.012108 -0.012734 -0.023455 -0.014457 -0.041253 0.050668 7C 1s 0.003679 -0.010470 -0.012300 0.003938 0.004810 0.023028 7C 2s 0.012266 -0.034683 -0.040862 0.014061 0.015832 0.073352 7C 3s -0.165017 0.529566 0.613596 -0.237381 -0.257317 -0.992869 7C 4s 0.525322 -1.593909 -1.822582 0.912400 0.918851 2.715763 7C 5s -0.270560 1.127797 0.994535 -0.178456 -0.814768 -1.443058 7C 1pz -0.003764 0.003789 0.023203 0.036597 0.133877 -0.032212 7C 1px 0.048613 0.011185 0.053625 0.046104 0.051051 -0.001125 7C 1py -0.028954 -0.047193 -0.068573 -0.132755 -0.191214 0.106024 7C 2pz -0.060240 0.495936 0.530689 -0.399777 -0.430562 -0.595212 7C 2px -0.257960 0.013362 -0.180936 -0.310894 0.066557 -0.531800 7C 2py -0.076860 0.410181 0.426636 -0.113101 0.243318 -0.747475 7C 3pz 0.430388 0.613270 1.008207 -0.093035 -0.254149 -0.294323 7C 3px -0.119556 -0.019827 0.394261 0.127631 0.118895 -0.069152 7C 3py 0.087844 0.253299 0.629040 -0.369795 -0.408160 -0.047173 7C 1dz2 0.000155 0.003103 -0.000158 -0.005874 -0.010590 0.001819 7C 1dxz -0.004701 0.001413 0.008547 -0.005611 -0.012394 -0.005220 7C 1dyz -0.003539 0.004300 0.003979 -0.005062 -0.003490 0.011347 7C 1dx2y2 0.004269 -0.011045 -0.012276 0.007876 -0.006168 0.007007 7C 1dxy -0.002245 -0.007753 -0.009552 0.001782 0.016369 -0.003680 7C 2dz2 -0.029995 0.249237 0.120484 -0.283247 -0.091227 -0.319740 7C 2dxz 0.027407 -0.004325 0.277569 0.034258 -0.050141 -0.102376 7C 2dyz -0.025968 0.097432 0.075365 -0.118846 0.011802 -0.119024 7C 2dx2y2 0.035984 -0.278095 -0.322998 0.270758 0.053383 0.404038 7C 2dxy 0.011586 -0.206486 -0.036867 0.106171 -0.050559 0.281324 7C 1f0 0.000083 -0.014254 -0.014385 -0.000902 -0.006979 0.023909 7C 1f+1 0.008727 -0.030082 -0.032349 0.021275 0.022978 0.044976 7C 1f-1 0.007227 -0.005351 -0.008522 0.001037 0.014357 0.001322 7C 1f+2 0.002667 0.027221 0.027931 -0.002107 -0.011369 -0.031230 7C 1f-2 -0.004587 -0.009698 -0.008488 -0.004688 0.005055 -0.009801 7C 1f+3 -0.003968 -0.004992 -0.003634 -0.000047 -0.008990 0.006639 7C 1f-3 0.012611 -0.021108 -0.025652 0.011071 0.003847 0.054997 8C 1s -0.009652 -0.005510 -0.022840 -0.010374 -0.024309 0.016985 8C 2s -0.028801 -0.016935 -0.069052 -0.030343 -0.073497 0.050818 8C 3s 0.315539 0.184647 0.766854 0.315604 0.812983 -0.638422 8C 4s -0.758892 -0.457142 -1.961511 -0.697302 -2.046818 1.784259 8C 5s 1.759711 0.456905 3.383672 1.021513 4.159511 -2.719515 8C 1pz 0.051077 -0.106476 -0.084819 0.078485 -0.086142 -0.005786 8C 1px 0.082466 0.008560 0.136646 0.182178 -0.158101 0.054968 8C 1py -0.033783 -0.078254 -0.187343 0.020578 -0.280414 0.316400 8C 2pz -0.246699 0.273648 0.185925 -0.390907 0.172838 0.056745 8C 2px -0.276697 0.051462 -0.508277 -0.560197 0.458680 -0.207874 8C 2py 0.206498 0.274247 0.671260 0.122939 1.027006 -1.010510 8C 3pz -0.082576 -0.129341 -0.401740 0.104823 -0.678641 0.361577 8C 3px 0.074893 0.072279 0.088043 0.373711 -0.469166 0.227047 8C 3py 0.179869 -0.024649 0.143120 0.215106 0.022211 0.081935 8C 1dz2 0.000042 -0.008483 -0.004647 -0.001879 0.008580 0.001533 8C 1dxz -0.003778 0.003433 -0.002093 -0.009255 0.011784 -0.009978 8C 1dyz -0.000059 0.002565 -0.006502 0.004889 -0.005036 0.008148 8C 1dx2y2 -0.002429 0.007534 0.000358 0.002435 0.011449 -0.003065 8C 1dxy 0.003935 -0.004209 0.009972 -0.003048 -0.000844 0.003843 8C 2dz2 -0.001538 -0.012052 -0.053165 0.009850 -0.105860 0.102815 8C 2dxz 0.009044 -0.011479 0.107511 -0.199566 0.340815 -0.272788 8C 2dyz -0.094711 -0.175131 -0.357301 -0.178994 -0.213858 0.289969 8C 2dx2y2 -0.121611 0.025952 0.008246 -0.277372 -0.016540 0.126203 8C 2dxy -0.097844 0.109239 -0.102984 -0.071869 -0.076586 0.109726 8C 1f0 0.011488 -0.013998 0.002961 0.002936 0.001526 0.005067 8C 1f+1 -0.011922 0.016687 -0.014263 0.014004 0.012495 -0.010394 8C 1f-1 0.004497 0.018232 0.026640 0.012053 0.037309 -0.034375 8C 1f+2 -0.021875 -0.015979 -0.058589 -0.031976 -0.063864 0.071572 8C 1f-2 -0.032925 0.004683 -0.054505 -0.009801 -0.044268 0.051680 8C 1f+3 0.006619 0.008311 0.003123 0.028002 -0.000329 -0.005082 8C 1f-3 -0.003075 0.016080 0.004472 0.019357 -0.015987 0.009083 9C 1s -0.006758 0.022697 0.024864 -0.008946 -0.010483 -0.020349 9C 2s -0.020583 0.068717 0.074990 -0.025906 -0.031997 -0.060856 9C 3s 0.229774 -0.758709 -0.831078 0.256858 0.346451 0.741714 9C 4s -0.596276 1.915684 2.091496 -0.521735 -0.891893 -2.009448 9C 5s 0.305768 -3.307090 -3.891918 1.178526 1.765570 3.113158 9C 1pz 0.003734 -0.077272 -0.015447 -0.048911 -0.084105 0.323416 9C 1px 0.035235 -0.139541 -0.141783 0.078365 0.182113 0.076765 9C 1py 0.057103 -0.129358 -0.236487 0.177571 0.122278 -0.015827 9C 2pz -0.017650 0.354654 0.210116 -0.035236 0.225915 -1.063744 9C 2px -0.117577 0.524888 0.442826 -0.315508 -0.576857 -0.253061 9C 2py -0.191810 0.500148 0.820683 -0.698173 -0.433673 -0.015978 9C 3pz 0.003757 0.272383 0.478004 -0.306487 -0.434841 0.018832 9C 3px 0.044865 -0.245534 -0.233325 0.096111 0.220221 0.077941 9C 3py 0.148415 0.129454 0.060229 0.303343 0.158188 -0.427638 9C 1dz2 -0.001510 -0.001296 0.002387 0.001977 0.009800 0.000318 9C 1dxz 0.000666 0.009900 0.001583 -0.004069 -0.003145 -0.001602 9C 1dyz -0.000134 -0.005192 -0.005609 -0.003813 -0.005000 0.006042 9C 1dx2y2 0.004704 -0.002862 -0.005170 0.010490 0.009426 -0.002594 9C 1dxy -0.000611 0.008958 0.008146 -0.005570 -0.000766 0.007201 9C 2dz2 0.075009 -0.188011 -0.265679 0.173078 0.049302 0.165648 9C 2dxz 0.011207 -0.062002 -0.105676 0.129334 -0.093846 0.063798 9C 2dyz 0.087166 -0.293769 -0.292832 0.192851 0.159308 0.348033 9C 2dx2y2 0.050256 -0.021194 -0.092848 0.087003 0.139382 -0.233234 9C 2dxy -0.041475 0.011416 0.149806 -0.086661 -0.089026 0.238627 9C 1f0 -0.001410 -0.010141 -0.001690 -0.003725 -0.011815 0.037247 9C 1f+1 -0.003745 -0.008288 -0.012617 0.004935 0.002020 0.002339 9C 1f-1 0.017082 -0.029477 -0.035881 0.016206 0.012265 0.042916 9C 1f+2 0.001679 0.041797 0.043144 -0.014856 -0.013511 -0.059324 9C 1f-2 0.021161 -0.045835 -0.052604 0.020012 0.024680 0.058481 9C 1f+3 -0.015735 0.038023 0.047976 -0.019625 -0.012371 -0.036501 9C 1f-3 0.011296 0.015818 0.004572 -0.002533 -0.012256 -0.012857 10H 1s 0.005092 -0.018292 -0.026827 0.001197 -0.008133 -0.054879 10H 2s -0.000903 0.189282 0.226170 0.003933 0.359431 0.688588 10H 3s -0.083792 -0.329074 -0.377721 -0.046263 -0.129235 -0.613585 10H 1pz -0.155052 0.115863 0.039110 -0.009877 -0.003621 0.140664 10H 1px -0.044337 0.008270 -0.015279 0.012283 -0.084439 -0.073300 10H 1py 0.278455 0.040873 0.147386 0.126884 -0.067306 -0.020169 11H 1s -0.002959 -0.040365 -0.031494 -0.008571 0.009731 -0.075318 11H 2s 0.122880 0.496398 0.279478 -0.014992 -0.211690 0.950938 11H 3s -0.086497 -0.737574 -0.603268 -0.070763 0.264931 -0.938081 11H 1pz 0.163433 0.038488 0.079059 0.041449 0.007047 0.098938 11H 1px -0.213571 0.122027 0.028410 0.010150 -0.120553 0.111706 11H 1py -0.133637 -0.016961 -0.028005 0.052849 -0.089198 -0.115632 12H 1s -0.021429 -0.049507 -0.059851 -0.040065 0.030943 -0.037483 12H 2s 0.338153 0.767619 1.059092 0.709643 -0.587772 0.200974 12H 3s -0.256518 -0.839480 -1.022198 -0.687438 0.660011 -0.316558 12H 1pz -0.001098 -0.039186 -0.073831 -0.095024 0.158135 0.102910 12H 1px 0.303594 0.068529 0.180538 0.094513 -0.027157 0.043630 12H 1py -0.078681 0.119277 0.116470 0.081682 -0.091220 0.061796 13H 1s -0.022093 0.001510 0.020582 -0.004037 0.050919 0.062401 13H 2s 0.235885 0.068798 -0.155949 -0.016822 -0.805909 -0.735679 13H 3s -0.248512 0.021718 0.315447 -0.060853 0.832257 0.632279 13H 1pz -0.113594 -0.187646 0.100232 0.218544 -0.015049 -0.052257 13H 1px -0.096698 -0.117430 0.055131 0.139234 0.159866 0.110472 13H 1py -0.166998 -0.158459 0.198441 0.126122 0.117239 0.100969 14H 1s -0.022180 -0.003764 0.030016 -0.040594 0.003276 0.022175 14H 2s 0.363319 0.080983 -0.365059 0.744835 0.231686 -0.047137 14H 3s -0.448776 -0.024841 0.602145 -0.592615 0.088404 0.160332 14H 1pz 0.215751 0.243664 -0.178394 -0.151793 0.002025 -0.023231 14H 1px -0.041856 -0.146216 -0.007643 0.235613 -0.004865 -0.027762 14H 1py 0.066836 0.100436 -0.048682 -0.004266 0.200546 0.127344 15H 1s -0.014319 0.015632 0.056810 -0.006590 0.059250 0.069546 15H 2s 0.170351 -0.426653 -0.915008 0.062232 -0.869069 -0.796119 15H 3s -0.346869 0.284676 0.955470 -0.111321 1.093038 0.810806 15H 1pz -0.035804 0.034765 0.136926 0.039207 0.200578 0.122261 15H 1px 0.244042 0.272559 -0.263674 -0.181035 0.084579 0.030340 15H 1py 0.035110 0.136006 0.038136 -0.112840 0.090502 0.116147 16H 1s 0.011951 -0.033153 -0.000977 0.010468 -0.061724 -0.092351 16H 2s -0.199187 0.395944 0.009797 -0.202233 0.368739 0.544885 16H 3s -0.000771 -0.134439 0.046729 0.016275 -0.088905 -0.225596 16H 1pz -0.008214 0.037610 0.004679 -0.008491 0.027788 0.054660 16H 1px 0.031405 0.011699 0.025156 0.101513 0.004120 0.008154 16H 1py 0.019502 -0.012217 0.002009 0.037221 0.073868 0.118850 17H 1s 0.001490 -0.026413 -0.026172 0.001565 0.070606 0.080517 17H 2s -0.106104 0.340064 0.169613 -0.094190 -0.435894 -0.534520 17H 3s -0.051983 -0.114218 -0.012183 0.025106 0.099974 0.191442 17H 1pz -0.017257 -0.000312 -0.024836 -0.059968 -0.009896 0.002084 17H 1px 0.041014 -0.044306 0.009804 0.124336 0.041839 0.032628 17H 1py 0.049040 -0.024916 0.035256 0.085841 -0.067237 -0.114529 18H 1s -0.003968 0.027017 0.026060 0.000234 -0.070448 0.080092 18H 2s -0.046777 -0.342715 -0.163430 -0.083710 0.425607 -0.542735 18H 3s -0.071130 0.114883 0.011357 0.024752 -0.098083 0.189943 18H 1pz 0.023140 0.001066 -0.027854 0.061062 -0.005455 -0.004098 18H 1px -0.038498 -0.045104 0.013519 -0.119819 0.037451 -0.033085 18H 1py -0.049586 -0.024649 0.037258 -0.082559 -0.070747 0.113725 19H 1s 0.010251 0.032421 0.000190 0.007256 0.060310 -0.090739 19H 2s -0.164212 -0.389588 0.001255 -0.175536 -0.373114 0.527665 19H 3s -0.011497 0.131041 -0.049986 0.010102 0.088475 -0.224209 19H 1pz 0.005922 0.037905 0.003527 0.006599 0.025426 -0.050847 19H 1px -0.025325 0.010911 0.029372 -0.100914 0.000619 -0.008237 19H 1py -0.013950 -0.012873 0.005212 -0.038787 0.070918 -0.120205 20H 1s -0.011536 -0.015422 -0.056602 -0.005752 -0.059305 0.071554 20H 2s 0.123433 0.420193 0.907792 0.051058 0.871742 -0.821301 20H 3s -0.292374 -0.285640 -0.952986 -0.097219 -1.092989 0.833860 20H 1pz 0.025330 0.035877 0.134714 -0.041346 0.201179 -0.126723 20H 1px -0.233645 0.266444 -0.264946 0.174454 0.084801 -0.031086 20H 1py -0.038592 0.135266 0.035414 0.111649 0.092205 -0.119317 21H 1s -0.021008 0.002647 -0.030316 -0.041415 -0.004799 0.023349 21H 2s 0.355751 -0.064351 0.361803 0.761792 -0.201062 -0.066632 21H 3s -0.430149 0.006596 -0.600770 -0.605562 -0.110355 0.177196 21H 1pz -0.203560 0.237593 -0.179668 0.147375 0.006553 0.020474 21H 1px 0.042501 -0.148742 -0.005495 -0.237198 -0.013349 0.033562 21H 1py -0.070636 0.096831 -0.048312 -0.003384 0.198115 -0.128570 22H 1s -0.017501 -0.002326 -0.021033 -0.003213 -0.049833 0.062534 22H 2s 0.183543 -0.058634 0.163899 -0.034196 0.783358 -0.729556 22H 3s -0.197413 -0.031175 -0.322451 -0.045102 -0.815658 0.629374 22H 1pz 0.109877 -0.187752 0.100873 -0.218493 -0.017306 0.053593 22H 1px 0.084316 -0.113875 0.055351 -0.140886 0.151830 -0.107316 22H 1py 0.154991 -0.155374 0.199372 -0.125979 0.115440 -0.102299 23H 1s -0.020348 0.048223 0.061080 -0.037294 -0.031776 -0.037418 23H 2s 0.317644 -0.752276 -1.076781 0.664778 0.596259 0.196559 23H 3s -0.243780 0.826631 1.040304 -0.644092 -0.673836 -0.318013 23H 1pz 0.006104 -0.040031 -0.079225 0.089185 0.158539 -0.102896 23H 1px -0.236010 0.065512 0.175559 -0.091529 -0.025227 -0.041842 23H 1py 0.047700 0.117502 0.123160 -0.074639 -0.093313 -0.062688 24H 1s -0.002978 0.040007 0.031639 -0.007114 -0.009449 -0.075846 24H 2s 0.101210 -0.495845 -0.280232 -0.027045 0.200831 0.963135 24H 3s -0.077054 0.729551 0.601191 -0.047350 -0.259146 -0.946253 24H 1pz -0.129007 0.037454 0.078721 -0.043088 0.003621 -0.096524 24H 1px 0.159536 0.121384 0.033172 -0.000572 -0.114656 -0.118692 24H 1py 0.100638 -0.014804 -0.021642 -0.048934 -0.093085 0.114484 25H 1s 0.004704 0.017563 0.026600 0.002026 0.005992 -0.054597 25H 2s 0.021831 -0.180172 -0.225808 0.011350 -0.319739 0.683291 25H 3s -0.091490 0.319390 0.377570 -0.045647 0.096848 -0.607624 25H 1pz 0.116169 0.113485 0.040021 0.014961 -0.002308 -0.144310 25H 1px 0.040785 0.009086 -0.016270 -0.006058 -0.075218 0.069335 25H 1py -0.216942 0.040874 0.147139 -0.125604 -0.072237 0.023441 26O 1s -0.001134 -0.001364 -0.000540 0.001244 -0.000960 -0.002330 26O 2s -0.003072 -0.005917 -0.002029 0.002268 -0.002243 -0.008958 26O 3s 0.014837 0.072836 0.030242 0.025017 -0.004123 0.107866 26O 4s 0.019185 -0.291896 -0.097476 -0.185852 0.076913 -0.421981 26O 5s -0.449847 -0.741423 -0.832887 -0.835272 -0.137690 -1.391167 26O 1pz -0.009963 -0.006120 -0.020368 -0.008756 -0.000536 -0.004448 26O 1px -0.008022 -0.003792 -0.012308 0.013188 -0.002557 0.001978 26O 1py -0.030299 0.022190 0.012358 -0.015156 0.018842 0.000957 26O 2pz -0.007335 0.053455 0.048216 0.031938 -0.004151 0.069309 26O 2px 0.043381 0.269491 0.129758 0.175728 -0.026435 0.388416 26O 2py 0.011377 0.129826 0.061444 0.092366 -0.019259 0.190627 26O 3pz 0.101053 -0.190995 0.069601 -0.132067 0.052651 0.082317 26O 3px 0.224567 0.013716 0.400459 0.294333 -0.046418 0.574831 26O 3py 0.249889 -0.128475 0.228276 0.255577 -0.136002 0.153485 26O 1dz2 0.001017 -0.000988 0.000636 -0.001373 0.001495 -0.001877 26O 1dxz 0.001333 0.000927 0.002604 0.001162 0.001194 0.000707 26O 1dyz 0.000955 -0.001508 0.000228 0.000396 0.000434 -0.001271 26O 1dx2y2 -0.000676 0.001117 0.000898 -0.001170 0.000227 0.001817 26O 1dxy 0.001139 0.001071 0.001729 0.003821 -0.000507 0.000597 26O 2dz2 -0.071468 0.061795 0.083391 -0.039085 0.035616 0.133490 26O 2dxz 0.031259 0.020925 -0.001971 -0.006887 -0.014939 -0.047774 26O 2dyz 0.059282 -0.065245 0.005109 0.036244 -0.060264 -0.012693 26O 2dx2y2 -0.072507 -0.023050 0.019097 -0.049012 -0.050409 -0.109522 26O 2dxy -0.059221 0.002468 -0.003598 -0.065807 0.077199 -0.090620 26O 1f0 -0.000627 -0.000988 -0.000599 0.001602 -0.003066 -0.002987 26O 1f+1 -0.002498 -0.005261 -0.004573 -0.001531 -0.001274 -0.010477 26O 1f-1 -0.001347 -0.002529 -0.002708 -0.001599 0.001201 -0.005269 26O 1f+2 0.000453 0.000968 0.002130 0.001185 -0.000450 0.001759 26O 1f-2 -0.000969 0.002176 0.000516 -0.000679 0.001047 0.001125 26O 1f+3 -0.002873 -0.002054 -0.002471 -0.001607 -0.002356 -0.005950 26O 1f-3 -0.002879 -0.006822 -0.004408 -0.004998 0.005004 -0.011390 27O 1s 0.001301 0.005191 -0.001592 -0.000873 0.002030 0.003955 27O 2s 0.002545 0.013277 -0.002390 -0.002771 0.006719 0.012940 27O 3s 0.008115 -0.022842 -0.042324 0.015812 -0.058710 -0.097031 27O 4s -0.105914 -0.239765 0.285781 0.019939 0.160898 0.294114 27O 5s 0.186782 0.624276 0.611145 -0.189993 0.949467 0.286583 27O 1pz -0.003843 0.002413 0.029683 -0.018375 -0.007795 -0.034177 27O 1px 0.003839 0.030733 0.009098 -0.037966 0.000096 0.006587 27O 1py -0.033676 0.015939 0.014622 -0.003337 0.005268 0.008841 27O 2pz 0.012391 -0.016385 0.006584 0.004586 -0.015102 -0.011138 27O 2px -0.016970 0.091548 -0.235766 -0.100939 -0.217084 -0.190838 27O 2py -0.014876 -0.021033 0.052161 0.025249 0.087716 0.056500 27O 3pz 0.063701 -0.058742 0.034018 0.339006 0.148110 0.054200 27O 3px 0.173601 -0.607802 -0.282854 0.849949 -0.450378 -0.389883 27O 3py -0.038313 0.342764 -0.110869 -0.559955 0.140748 0.397648 27O 1dz2 -0.000815 -0.000413 -0.000084 -0.001469 0.001024 -0.001389 27O 1dxz 0.000897 -0.001603 -0.000064 0.003806 -0.000183 0.000616 27O 1dyz -0.000059 0.001607 -0.000139 -0.000982 -0.000335 -0.000971 27O 1dx2y2 -0.000086 0.000666 -0.002323 -0.000410 -0.000398 -0.000255 27O 1dxy -0.001292 0.002303 0.000350 -0.004277 0.002810 -0.000630 27O 2dz2 0.029731 -0.082091 -0.094128 0.076298 -0.011378 0.041642 27O 2dxz -0.027623 -0.027627 0.027128 0.025806 -0.095231 -0.023994 27O 2dyz -0.059980 -0.027580 0.027557 -0.051487 0.061354 0.011812 27O 2dx2y2 0.061338 0.006405 0.008234 0.028684 0.071207 0.108688 27O 2dxy 0.044121 0.075238 0.004643 -0.039160 -0.047782 -0.091122 27O 1f0 -0.000215 -0.001516 -0.001022 0.001408 -0.004265 -0.001774 27O 1f+1 0.000427 0.002123 0.006742 -0.001055 0.003045 0.005244 27O 1f-1 -0.000160 -0.000451 -0.001988 0.000256 0.000762 -0.001256 27O 1f+2 0.001916 -0.000851 -0.001052 0.000907 0.004900 0.000280 27O 1f-2 0.000407 -0.000915 -0.000425 0.001897 -0.000410 -0.000829 27O 1f+3 0.000611 0.002034 0.005229 -0.002022 0.006452 0.008524 27O 1f-3 0.000089 -0.000223 -0.002132 -0.000757 -0.007274 -0.006235 28O 1s 0.001775 -0.001054 -0.000147 0.000245 0.001817 -0.002803 28O 2s 0.003935 -0.003747 -0.002614 -0.000352 0.005529 -0.011296 28O 3s 0.001873 0.035930 0.065074 0.019219 -0.033635 0.113356 28O 4s -0.095294 -0.041378 -0.289583 -0.065985 0.044215 -0.430523 28O 5s 0.375483 -0.915138 -1.026379 -0.246685 0.441172 0.140421 28O 1pz -0.005022 0.003493 0.009284 -0.000746 0.004045 0.033144 28O 1px -0.010437 0.015649 0.014527 0.011504 0.006989 0.033558 28O 1py 0.033225 -0.012917 -0.011570 0.022273 -0.014231 0.011594 28O 2pz 0.002902 0.072282 0.214699 -0.000359 -0.064546 0.147950 28O 2px -0.010983 -0.058728 -0.209656 0.007897 0.071493 -0.119113 28O 2py 0.014482 0.020547 0.048102 0.033647 -0.027346 0.024814 28O 3pz -0.020697 0.547353 0.212829 0.631937 -0.271372 0.450820 28O 3px 0.077004 -0.521319 -0.425858 -0.283839 0.182921 -0.288837 28O 3py -0.200165 0.171301 0.010522 -0.020271 0.003017 0.284116 28O 1dz2 -0.000580 0.003416 0.001880 0.003111 0.001080 0.000287 28O 1dxz -0.000686 -0.001803 -0.002096 -0.002642 0.001589 -0.000275 28O 1dyz 0.001058 0.002842 0.000405 0.002856 -0.001851 -0.001590 28O 1dx2y2 -0.000300 -0.000605 0.000659 -0.001274 0.000502 -0.000082 28O 1dxy -0.000076 -0.000734 -0.000673 -0.001974 0.001804 0.000408 28O 2dz2 -0.004110 -0.081582 -0.084831 -0.063810 -0.059209 -0.035143 28O 2dxz 0.050837 0.029745 0.012426 0.037318 -0.149637 0.078242 28O 2dyz 0.008533 0.039155 0.054464 0.063294 -0.040876 -0.018218 28O 2dx2y2 0.085491 -0.098564 -0.150481 0.003348 -0.062463 0.027957 28O 2dxy 0.008355 0.059876 0.034883 -0.028038 0.109493 0.114106 28O 1f0 -0.000884 -0.002748 -0.003584 -0.004045 0.004679 -0.001472 28O 1f+1 0.000438 -0.003773 -0.006648 0.001273 -0.000394 -0.006866 28O 1f-1 0.000478 -0.002738 0.000304 -0.000718 -0.001638 -0.000565 28O 1f+2 -0.000279 0.006364 0.007185 0.000248 -0.003426 0.008548 28O 1f-2 -0.000894 -0.000355 -0.000329 -0.002638 0.002841 -0.002464 28O 1f+3 -0.000608 0.003194 0.004985 0.000664 -0.003029 0.002475 28O 1f-3 -0.000180 -0.000164 0.001098 -0.001397 0.001266 -0.001530 29O 1s 0.002628 -0.006789 0.000251 0.004830 0.000763 0.000417 29O 2s 0.006241 -0.017579 0.000137 0.011655 0.002029 0.000747 29O 3s -0.001029 0.037788 0.012065 -0.004989 -0.005067 0.006454 29O 4s -0.172765 0.299067 -0.043673 -0.299675 -0.026173 -0.055018 29O 5s 0.548202 -1.265108 -0.071786 0.872162 0.103566 0.098255 29O 1pz 0.006788 -0.006754 -0.000821 0.008150 -0.010975 -0.033169 29O 1px -0.020464 -0.006556 0.000069 -0.036532 -0.011031 -0.018060 29O 1py -0.029187 0.002789 -0.031191 -0.035167 -0.006804 -0.007568 29O 2pz -0.021083 0.035091 -0.022353 -0.021216 0.122364 0.180976 29O 2px 0.023597 -0.068824 -0.013483 0.052163 0.054325 0.067991 29O 2py -0.005544 0.031436 0.014612 -0.026661 -0.018982 -0.012653 29O 3pz -0.013657 -0.049187 -0.010029 0.057689 0.238243 0.367216 29O 3px -0.137757 0.356218 -0.089417 -0.437497 0.039644 0.089132 29O 3py -0.057461 0.267610 0.106890 0.028082 -0.014030 -0.002429 29O 1dz2 -0.000741 0.000956 -0.000630 -0.001863 0.000405 0.001513 29O 1dxz -0.000133 -0.001269 -0.000598 -0.001049 -0.001494 -0.003306 29O 1dyz 0.000074 0.000329 0.000523 0.001274 0.000232 -0.000573 29O 1dx2y2 0.001244 -0.000338 0.001342 0.002762 -0.000261 -0.001407 29O 1dxy 0.000125 -0.001625 -0.001382 -0.001684 -0.000541 -0.000217 29O 2dz2 0.055757 -0.093219 -0.010514 0.058465 -0.083860 -0.071428 29O 2dxz -0.003295 -0.072014 -0.049265 -0.057632 0.089962 0.015779 29O 2dyz 0.053787 -0.021663 0.055211 0.055487 -0.150857 -0.239817 29O 2dx2y2 0.090648 -0.030340 0.029940 0.153569 0.042363 0.024472 29O 2dxy -0.112056 0.059696 -0.027541 -0.157781 -0.113476 -0.129382 29O 1f0 0.000854 0.002854 0.001950 0.001437 0.000582 0.001926 29O 1f+1 -0.001048 -0.000798 -0.001239 -0.001436 0.000732 0.001131 29O 1f-1 -0.001309 0.003649 0.000193 -0.001221 0.005035 0.008406 29O 1f+2 -0.000195 -0.002118 -0.000687 -0.000704 -0.002945 -0.004571 29O 1f-2 0.000755 0.001116 0.003003 0.001790 -0.007613 -0.010007 29O 1f+3 0.000181 -0.001702 -0.001245 0.000017 0.002943 0.003846 29O 1f-3 -0.000082 -0.000622 -0.000513 0.001833 0.004227 0.004720 30O 1s -0.000821 -0.004743 0.003676 0.002511 -0.000399 0.002055 30O 2s -0.003126 -0.011505 0.010481 0.005048 0.000754 0.008842 30O 3s 0.041503 0.000899 -0.050962 0.026820 -0.050097 -0.107334 30O 4s -0.136284 0.282993 -0.000293 -0.271980 0.245867 0.444542 30O 5s -1.339954 -0.182914 0.984312 -0.550004 0.718610 0.585348 30O 1pz 0.002031 -0.028226 -0.012363 0.036732 0.010124 0.028723 30O 1px -0.015823 0.023290 -0.014326 -0.014068 -0.004018 0.000423 30O 1py 0.022784 -0.012171 -0.011048 -0.002978 -0.009685 0.035100 30O 2pz 0.138424 -0.093691 -0.076471 0.164440 -0.110539 -0.160231 30O 2px -0.161323 0.124658 0.068315 -0.160237 0.139718 0.219846 30O 2py -0.140942 0.084629 0.087577 -0.149757 0.151249 0.203176 30O 3pz 0.169704 0.330660 -0.277950 -0.306036 -0.225601 -0.328466 30O 3px -0.313414 -0.094441 0.291118 -0.265941 0.331012 0.218394 30O 3py -0.216937 -0.251977 0.371736 0.193582 0.127790 0.043330 30O 1dz2 0.001280 -0.000595 -0.001848 0.001131 0.002141 0.001477 30O 1dxz -0.001028 0.001842 0.000715 -0.001646 0.000818 0.001549 30O 1dyz -0.002598 -0.000678 0.002899 -0.002155 0.000522 -0.002274 30O 1dx2y2 -0.001674 -0.002476 0.002215 -0.000138 0.001735 -0.001713 30O 1dxy 0.001494 -0.001554 -0.000762 0.001453 -0.002107 -0.001795 30O 2dz2 0.041022 0.101012 0.065732 0.037719 0.062926 -0.007166 30O 2dxz 0.042513 0.072440 0.093861 0.012620 -0.103991 -0.139739 30O 2dyz 0.046946 -0.057312 -0.071363 0.020557 -0.004043 -0.034104 30O 2dx2y2 -0.087018 0.016749 0.120642 0.037587 -0.007130 -0.093315 30O 2dxy -0.056203 0.106948 0.126612 -0.086560 -0.010448 0.070765 30O 1f0 -0.003905 0.001661 0.002547 -0.002226 0.004090 0.005626 30O 1f+1 -0.001808 0.001479 0.003153 -0.001112 -0.001344 -0.000359 30O 1f-1 -0.000409 0.000901 0.000907 -0.002842 -0.002575 -0.000582 30O 1f+2 0.003343 0.000102 -0.003905 0.001709 -0.001017 -0.002613 30O 1f-2 0.005569 -0.001627 -0.006980 0.002974 -0.007074 -0.009576 30O 1f+3 0.000766 -0.001603 -0.000674 0.001018 0.002360 0.004698 30O 1f-3 0.004357 -0.001199 -0.004698 0.002236 -0.004361 -0.006407 31O 1s -0.000479 0.004638 -0.003730 0.002315 0.000442 0.001995 31O 2s -0.001888 0.011207 -0.010628 0.004578 -0.000656 0.008784 31O 3s 0.030934 0.000178 0.051051 0.026828 0.050315 -0.109472 31O 4s -0.102023 -0.281594 0.002519 -0.260045 -0.248276 0.457350 31O 5s -1.258940 0.169941 -0.950098 -0.558022 -0.746022 0.609973 31O 1pz 0.000834 -0.029087 -0.012194 -0.037147 0.009153 -0.028529 31O 1px 0.017473 0.023039 -0.015375 0.012791 -0.003803 0.000025 31O 1py -0.023820 -0.012491 -0.010356 0.002800 -0.009578 -0.034816 31O 2pz -0.119970 -0.095104 -0.072971 -0.162713 -0.114817 0.164726 31O 2px 0.138454 0.124491 0.064063 0.156514 0.142919 -0.226154 31O 2py 0.119796 0.084899 0.083997 0.146195 0.154500 -0.207647 31O 3pz -0.188546 0.334498 -0.280339 0.306834 -0.220811 0.335175 31O 3px 0.309331 -0.092026 0.279645 0.267469 0.342518 -0.234057 31O 3py 0.250766 -0.247089 0.371238 -0.187664 0.127408 -0.050879 31O 1dz2 0.001206 0.000674 0.001838 0.001238 -0.002063 0.001506 31O 1dxz -0.000861 -0.001823 -0.000677 -0.001605 -0.000856 0.001560 31O 1dyz -0.002637 0.000597 -0.002821 -0.002210 -0.000683 -0.002232 31O 1dx2y2 -0.001612 0.002407 -0.002163 -0.000167 -0.001813 -0.001696 31O 1dxy 0.001364 0.001501 0.000668 0.001340 0.002150 -0.001804 31O 2dz2 0.041289 -0.097817 -0.066303 0.042981 -0.060714 -0.006433 31O 2dxz 0.045647 -0.074121 -0.094705 0.008621 0.105844 -0.143175 31O 2dyz 0.034374 0.056988 0.070451 0.020237 0.003437 -0.033750 31O 2dx2y2 -0.076189 -0.017714 -0.117696 0.035468 0.007708 -0.094355 31O 2dxy -0.056092 -0.107841 -0.125600 -0.086256 0.008516 0.073354 31O 1f0 0.003411 0.001648 0.002487 0.002125 0.004153 -0.005769 31O 1f+1 0.001677 0.001543 0.003165 0.001177 -0.001317 0.000387 31O 1f-1 0.000310 0.000967 0.000863 0.002983 -0.002504 0.000588 31O 1f+2 -0.003259 0.000066 -0.003824 -0.001805 -0.001115 0.002695 31O 1f-2 -0.004722 -0.001680 -0.006948 -0.002958 -0.007115 0.009826 31O 1f+3 -0.000889 -0.001633 -0.000585 -0.001088 0.002266 -0.004761 31O 1f-3 -0.003888 -0.001241 -0.004627 -0.002199 -0.004422 0.006577 32O 1s 0.001719 0.006765 -0.000514 0.004572 -0.000541 0.000539 32O 2s 0.003897 0.017508 -0.000789 0.010938 -0.001541 0.001051 32O 3s 0.003771 -0.037458 -0.011421 -0.002338 0.006036 0.006139 32O 4s -0.132232 -0.298888 0.058013 -0.293563 0.006964 -0.063621 32O 5s 0.382289 1.262500 0.028310 0.830090 -0.057295 0.132001 32O 1pz -0.009069 -0.006880 0.000070 -0.008361 -0.010993 0.032552 32O 1px 0.020206 -0.005931 -0.000747 0.035932 -0.009725 0.018203 32O 1py 0.027883 0.002966 -0.032883 0.034569 -0.005445 0.008516 32O 2pz 0.020404 0.032804 -0.024303 0.017634 0.121811 -0.178715 32O 2px -0.013207 -0.069478 -0.011179 -0.049548 0.051237 -0.067874 32O 2py 0.001651 0.031912 0.012929 0.023993 -0.016144 0.008161 32O 3pz 0.038257 -0.057604 -0.007842 -0.062117 0.233977 -0.369027 32O 3px 0.096148 0.353564 -0.109170 0.424846 0.057143 -0.083342 32O 3py 0.024037 0.266358 0.104684 -0.034339 -0.003722 0.005380 32O 1dz2 -0.000855 -0.000924 0.000679 -0.001846 -0.000445 0.001462 32O 1dxz 0.000120 0.001210 0.000634 -0.001072 0.001478 -0.003337 32O 1dyz 0.000199 -0.000339 -0.000508 0.001224 -0.000195 -0.000585 32O 1dx2y2 0.001337 0.000337 -0.001420 0.002676 0.000372 -0.001461 32O 1dxy -0.000010 0.001631 0.001434 -0.001673 0.000555 -0.000312 32O 2dz2 0.041441 0.092072 0.009999 0.049593 0.078517 -0.056954 32O 2dxz -0.006898 0.071859 0.050700 -0.057321 -0.095853 0.021994 32O 2dyz 0.061744 0.024377 -0.058387 0.053933 0.152877 -0.239087 32O 2dx2y2 0.087689 0.031431 -0.035826 0.153059 -0.038463 0.032088 32O 2dxy -0.098094 -0.060024 0.034623 -0.151136 0.103283 -0.130681 32O 1f0 -0.001190 0.002600 0.001968 -0.001700 0.000117 -0.001462 32O 1f+1 0.001294 -0.000914 -0.001400 0.001555 0.001065 -0.001355 32O 1f-1 0.001067 0.003680 0.000212 0.000837 0.004751 -0.008134 32O 1f+2 0.000254 -0.002228 -0.000748 0.000811 -0.002766 0.004534 32O 1f-2 -0.001180 0.001138 0.003043 -0.001745 -0.007789 0.010060 32O 1f+3 0.000169 -0.001683 -0.001127 0.000092 0.002659 -0.003499 32O 1f-3 0.000314 -0.000636 -0.000449 -0.001826 0.004233 -0.004866 33O 1s 0.001028 0.000980 0.000167 0.000438 -0.001655 -0.002834 33O 2s 0.002065 0.003505 0.002698 0.000234 -0.005201 -0.011347 33O 3s 0.003631 -0.034517 -0.065820 0.015811 0.035000 0.112930 33O 4s -0.056951 0.038657 0.290518 -0.060026 -0.059674 -0.426671 33O 5s 0.325972 0.920122 1.034065 -0.208341 -0.448046 0.131993 33O 1pz 0.003289 0.002600 0.008401 0.001643 0.004216 -0.033387 33O 1px 0.004536 0.015015 0.014502 -0.010537 0.007568 -0.033414 33O 1py -0.029288 -0.013363 -0.010443 -0.021628 -0.014487 -0.011913 33O 2pz 0.009805 0.072080 0.213369 0.007487 -0.069427 -0.147998 33O 2px -0.008200 -0.059126 -0.208849 -0.014232 0.076410 0.118042 33O 2py -0.011186 0.019614 0.048952 -0.031151 -0.029443 -0.025120 33O 3pz -0.033734 0.540675 0.240289 -0.619814 -0.283285 -0.454756 33O 3px -0.031219 -0.520407 -0.437181 0.272448 0.196811 0.287457 33O 3py 0.152602 0.170451 0.013556 0.022878 0.007708 -0.287994 33O 1dz2 -0.000215 -0.003381 -0.001949 0.003076 -0.001043 0.000361 33O 1dxz -0.000616 0.001841 0.002219 -0.002602 -0.001772 -0.000313 33O 1dyz 0.001249 -0.002796 -0.000499 0.002797 0.001907 -0.001585 33O 1dx2y2 -0.000504 0.000568 -0.000608 -0.001244 -0.000467 -0.000108 33O 1dxy -0.000058 0.000706 0.000756 -0.001867 -0.001891 0.000401 33O 2dz2 -0.002891 0.077110 0.082725 -0.061832 0.056001 -0.032816 33O 2dxz 0.038694 -0.032085 -0.015882 0.033099 0.152506 0.079496 33O 2dyz 0.006623 -0.036745 -0.053808 0.059614 0.042651 -0.019053 33O 2dx2y2 0.068831 0.096145 0.147901 0.004404 0.063036 0.030395 33O 2dxy 0.002805 -0.059568 -0.033649 -0.025924 -0.107833 0.118179 33O 1f0 0.000614 -0.002721 -0.003709 0.003768 0.004779 0.001483 33O 1f+1 -0.000514 -0.003701 -0.006517 -0.001481 -0.000485 0.006887 33O 1f-1 -0.000212 -0.002695 0.000294 0.000784 -0.001656 0.000575 33O 1f+2 0.000339 0.006347 0.007243 0.000046 -0.003468 -0.008587 33O 1f-2 0.000857 -0.000321 -0.000469 0.002536 0.003000 0.002389 33O 1f+3 0.000633 0.003191 0.005022 -0.000468 -0.003070 -0.002481 33O 1f-3 0.000138 -0.000144 0.001004 0.001309 0.001359 0.001595 34O 1s 0.001192 -0.005052 0.001564 -0.000719 -0.001975 0.004090 34O 2s 0.002268 -0.012923 0.002321 -0.002357 -0.006576 0.013316 34O 3s 0.008224 0.022492 0.042932 0.014728 0.058236 -0.098760 34O 4s -0.107216 0.233321 -0.289341 0.015828 -0.159655 0.294958 34O 5s 0.226148 -0.627127 -0.627441 -0.181040 -0.954276 0.315366 34O 1pz 0.001723 0.003137 0.029798 0.018905 -0.006637 0.034692 34O 1px -0.004218 0.030810 0.008379 0.037520 0.001032 -0.007447 34O 1py 0.031289 0.016042 0.013686 0.002694 0.005450 -0.008963 34O 2pz -0.011860 -0.016944 0.006796 -0.004470 -0.015186 0.011320 34O 2px 0.014269 0.087656 -0.243960 0.098187 -0.212637 0.194018 34O 2py 0.014075 -0.020042 0.053973 -0.025901 0.086486 -0.057790 34O 3pz -0.055305 -0.059104 0.042579 -0.339501 0.141322 -0.052888 34O 3px -0.119901 -0.609645 -0.262204 -0.835964 -0.476080 0.408219 34O 3py 0.022252 0.337554 -0.125497 0.552357 0.154977 -0.410058 34O 1dz2 -0.000703 0.000360 0.000133 -0.001472 -0.001106 -0.001375 34O 1dxz 0.000716 0.001645 -0.000034 0.003822 0.000291 0.000613 34O 1dyz 0.000175 -0.001608 0.000173 -0.000953 0.000318 -0.001016 34O 1dx2y2 0.000004 -0.000617 0.002325 -0.000321 0.000436 -0.000260 34O 1dxy -0.000932 -0.002286 -0.000187 -0.004193 -0.002972 -0.000572 34O 2dz2 0.019947 0.088225 0.095928 0.079149 0.011669 0.043490 34O 2dxz -0.024028 0.028220 -0.025071 0.023000 0.096133 -0.023305 34O 2dyz -0.051290 0.023600 -0.026796 -0.052919 -0.063091 0.013606 34O 2dx2y2 0.059784 -0.003056 -0.009463 0.031484 -0.069391 0.109829 34O 2dxy 0.038450 -0.074659 -0.004780 -0.039066 0.048215 -0.093201 34O 1f0 0.000576 -0.001506 -0.001004 -0.001276 -0.004309 0.001803 34O 1f+1 -0.000508 0.002171 0.006845 0.001158 0.002958 -0.005360 34O 1f-1 0.000131 -0.000428 -0.001984 -0.000290 0.000787 0.001283 34O 1f+2 -0.001798 -0.000861 -0.000998 -0.001031 0.004844 -0.000318 34O 1f-2 -0.000052 -0.000911 -0.000396 -0.001898 -0.000449 0.000929 34O 1f+3 -0.000893 0.002044 0.005339 0.002058 0.006439 -0.008727 34O 1f-3 0.000098 -0.000232 -0.002216 0.000893 -0.007201 0.006446 35O 1s -0.000127 0.001439 0.000507 0.001159 0.000916 -0.002332 35O 2s -0.000511 0.006076 0.001975 0.002117 0.002115 -0.009003 35O 3s 0.010906 -0.071896 -0.030998 0.023599 0.004898 0.108722 35O 4s -0.023085 0.283182 0.103460 -0.174097 -0.076384 -0.425991 35O 5s -0.379766 0.709402 0.842818 -0.825257 0.108588 -1.399454 35O 1pz 0.012545 -0.005575 -0.019924 0.008782 -0.000938 0.004200 35O 1px 0.003628 -0.004219 -0.011932 -0.012962 -0.002022 -0.001579 35O 1py 0.029012 0.022693 0.011799 0.014010 0.018604 -0.001121 35O 2pz 0.006015 0.051721 0.048460 -0.030926 -0.005242 -0.068985 35O 2px -0.059445 0.261025 0.133574 -0.169834 -0.027751 -0.391067 35O 2py -0.016531 0.125538 0.063199 -0.089892 -0.021497 -0.191786 35O 3pz -0.066649 -0.187001 0.066673 0.125119 0.051019 -0.074854 35O 3px -0.167932 0.005526 0.408585 -0.283849 -0.062783 -0.575749 35O 3py -0.220872 -0.128203 0.240569 -0.247046 -0.147235 -0.146715 35O 1dz2 0.000801 0.000938 -0.000593 -0.001397 -0.001451 -0.001848 35O 1dxz 0.001195 -0.000902 -0.002624 0.001187 -0.001060 0.000682 35O 1dyz 0.000686 0.001508 -0.000203 0.000387 -0.000295 -0.001258 35O 1dx2y2 -0.000397 -0.001079 -0.000870 -0.001172 -0.000409 0.001826 35O 1dxy 0.001244 -0.000992 -0.001839 0.003786 0.000689 0.000555 35O 2dz2 -0.056803 -0.061225 -0.081522 -0.037431 -0.037375 0.133713 35O 2dxz 0.018307 -0.023133 0.002429 -0.004502 0.015440 -0.044450 35O 2dyz 0.054076 0.065479 -0.006805 0.033492 0.062247 -0.015807 35O 2dx2y2 -0.066382 0.018693 -0.018874 -0.049788 0.046654 -0.108556 35O 2dxy -0.053333 -0.003169 0.006583 -0.063455 -0.078713 -0.090169 35O 1f0 0.000558 -0.000960 -0.000538 -0.001584 -0.003159 0.003048 35O 1f+1 0.002455 -0.005104 -0.004586 0.001484 -0.001191 0.010459 35O 1f-1 0.001053 -0.002468 -0.002771 0.001403 0.001280 0.005356 35O 1f+2 -0.000278 0.000961 0.002147 -0.001081 -0.000429 -0.001772 35O 1f-2 0.000893 0.002156 0.000469 0.000667 0.001150 -0.001176 35O 1f+3 0.002676 -0.001979 -0.002488 0.001600 -0.002338 0.005982 35O 1f-3 0.002680 -0.006651 -0.004565 0.004775 0.005166 0.011378 330 331 332 333 334 335 1.56257 1.56926 1.57283 1.58008 1.58377 1.59635 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s -0.001238 -0.000668 0.000165 -0.000332 -0.000197 0.000917 0Rh 2s 0.005187 0.002237 -0.000747 0.001067 0.001520 -0.003774 0Rh 3s -0.004075 -0.002546 0.000508 -0.001291 -0.000222 0.003065 0Rh 4s -0.024742 -0.010551 0.003595 -0.005086 -0.007373 0.018007 0Rh 5s 0.024080 0.006291 -0.004138 0.003446 0.011880 -0.016915 0Rh 6s 0.060954 0.038501 -0.005447 0.016439 -0.003240 -0.044177 0Rh 7s -0.714049 0.093808 0.103034 -0.202672 0.368671 -0.110003 0Rh 8s 0.224655 0.342830 -0.077528 0.055299 0.642639 -0.357054 0Rh 1pz -0.000803 0.002154 -0.003179 -0.004378 0.006601 0.002068 0Rh 1px 0.001086 -0.006665 -0.000062 -0.001036 -0.009850 0.010334 0Rh 1py 0.005795 -0.003685 -0.003183 0.003581 -0.001255 0.001292 0Rh 2pz 0.003016 -0.007196 0.011530 0.014855 -0.022543 -0.007539 0Rh 2px -0.004236 0.022137 0.000475 0.003215 0.032927 -0.034722 0Rh 2py -0.020296 0.012636 0.010946 -0.012612 0.004209 -0.004463 0Rh 3pz -0.006651 -0.001030 -0.016309 -0.002502 0.006768 0.012305 0Rh 3px 0.012612 0.006103 -0.005268 0.005898 0.004926 -0.001508 0Rh 3py 0.015904 -0.005187 -0.004669 0.010958 0.000726 0.001962 0Rh 4pz 0.009316 0.045552 -0.008416 -0.076087 0.104262 -0.007281 0Rh 4px -0.028509 -0.153146 0.016434 -0.042710 -0.213082 0.208914 0Rh 4py 0.058331 -0.050723 -0.046122 0.034109 -0.030106 0.021060 0Rh 5pz -0.031430 -0.068880 -0.002790 0.106783 -0.148987 0.044785 0Rh 5px 0.080460 0.243488 -0.029501 0.072094 0.347777 -0.325647 0Rh 5py -0.056694 0.061513 0.061667 -0.042721 0.061105 -0.042665 0Rh 6pz 0.315183 0.135861 1.146208 0.213524 -0.138979 -1.139839 0Rh 6px -0.282637 -0.767732 0.299704 0.167226 -1.433620 0.742523 0Rh 6py -1.425329 0.189681 0.369079 -0.753636 -0.527919 0.403068 0Rh 1dz2 0.005361 0.006411 0.011452 0.004086 0.003545 -0.003162 0Rh 1dxz 0.002761 0.005707 -0.002747 0.000974 0.001423 -0.009351 0Rh 1dyz 0.005730 0.002413 0.009484 0.002877 -0.001292 -0.009090 0Rh 1dx2y2 -0.005809 -0.009582 0.003363 -0.000203 -0.006245 0.005334 0Rh 1dxy 0.001508 -0.012083 0.001026 0.002639 -0.013923 0.012422 0Rh 2dz2 -0.000731 -0.002413 -0.001770 -0.000007 -0.001971 0.001758 0Rh 2dxz -0.000683 -0.002508 0.000347 -0.000798 -0.002641 0.002381 0Rh 2dyz -0.000184 -0.001029 -0.000798 -0.000279 -0.000752 0.000414 0Rh 2dx2y2 0.001328 0.003742 -0.000359 -0.000384 0.003628 -0.003668 0Rh 2dxy -0.000412 0.001067 -0.000422 -0.000060 0.001593 -0.001990 0Rh 3dz2 -0.009314 -0.004335 -0.019037 -0.009510 0.000420 -0.000346 0Rh 3dxz -0.003511 -0.002246 0.004815 0.001089 0.008329 0.011391 0Rh 3dyz -0.012528 -0.001145 -0.018579 -0.005530 0.006297 0.019495 0Rh 3dx2y2 0.007770 0.005733 -0.006335 0.002103 -0.001504 0.003740 0Rh 3dxy -0.001623 0.023577 -0.000575 -0.005840 0.025606 -0.020460 0Rh 4dz2 -0.014832 -0.042465 -0.035889 -0.004004 -0.033579 0.029642 0Rh 4dxz -0.011199 -0.043614 0.009664 -0.010906 -0.041339 0.045776 0Rh 4dyz -0.007429 -0.016750 -0.020371 -0.005943 -0.009126 0.015473 0Rh 4dx2y2 0.023867 0.067998 -0.007543 -0.004538 0.062911 -0.061150 0Rh 4dxy -0.009761 0.026041 -0.006200 -0.004699 0.036983 -0.040292 0Rh 5dz2 0.050300 0.183258 0.152017 0.025869 0.132150 -0.130957 0Rh 5dxz 0.029195 0.185204 -0.075575 0.040578 0.162075 -0.197862 0Rh 5dyz 0.017034 0.055663 0.083874 0.020477 0.004141 -0.099297 0Rh 5dx2y2 -0.089288 -0.314830 0.023613 -0.004159 -0.274618 0.248100 0Rh 5dxy 0.082395 -0.099126 0.015783 0.039509 -0.166545 0.157977 0Rh 1f0 -0.008156 -0.004566 -0.022392 -0.017292 0.015578 0.020332 0Rh 1f+1 -0.011007 0.033682 -0.022082 -0.025725 0.063366 0.034161 0Rh 1f-1 -0.008132 -0.004668 0.047069 -0.026862 -0.005921 -0.033663 0Rh 1f+2 -0.024536 0.013273 -0.023762 -0.007569 -0.000530 -0.043772 0Rh 1f-2 -0.015428 0.007979 -0.001146 -0.012697 0.027801 -0.028660 0Rh 1f+3 -0.015516 0.026450 0.017309 -0.021905 0.010685 -0.001754 0Rh 1f-3 0.020120 0.004228 -0.017776 0.012077 0.027863 -0.029323 1Rh 1s -0.001234 0.000671 0.000142 -0.000345 0.000172 -0.001059 1Rh 2s 0.005173 -0.002242 -0.000702 0.001170 -0.001433 0.004240 1Rh 3s -0.004064 0.002561 0.000402 -0.001305 0.000127 -0.003609 1Rh 4s -0.024678 0.010571 0.003388 -0.005586 0.006957 -0.020222 1Rh 5s 0.024019 -0.006218 -0.004279 0.004258 -0.011557 0.018375 1Rh 6s 0.060890 -0.039039 -0.003695 0.016129 0.004450 0.052053 1Rh 7s -0.722936 -0.088862 0.096534 -0.172249 -0.384922 0.031544 1Rh 8s 0.211942 -0.344767 -0.077021 0.113096 -0.633806 0.382668 1Rh 1pz 0.000861 0.002247 0.003198 0.003842 0.006296 0.003032 1Rh 1px -0.001333 -0.006754 -0.000027 0.001861 -0.009967 0.010204 1Rh 1py -0.005903 -0.003374 0.003352 -0.003329 -0.001306 0.001361 1Rh 2pz -0.003210 -0.007565 -0.011590 -0.013023 -0.021505 -0.010806 1Rh 2px 0.005064 0.022420 -0.000159 -0.005972 0.033352 -0.034113 1Rh 2py 0.020664 0.011597 -0.011528 0.011750 0.004424 -0.004670 1Rh 3pz 0.006626 0.000046 0.016231 0.001865 0.006534 0.012759 1Rh 3px -0.012558 0.006431 0.004929 -0.006313 0.004288 -0.005125 1Rh 3py -0.016017 -0.005372 0.005015 -0.010637 -0.000163 0.001376 1Rh 4pz -0.008188 0.043866 0.009242 0.068058 0.098961 0.009919 1Rh 4px 0.023472 -0.155929 -0.016951 0.060649 -0.213013 0.219783 1Rh 4py -0.059999 -0.044115 0.047821 -0.030519 -0.028058 0.024681 1Rh 5pz 0.030248 -0.066611 0.000440 -0.095891 -0.141953 0.020344 1Rh 5px -0.072597 0.247435 0.030311 -0.101711 0.346309 -0.347437 1Rh 5py 0.059173 0.052274 -0.062337 0.038401 0.057434 -0.049974 1Rh 6pz -0.318980 0.124861 -1.123670 -0.196612 -0.057750 -1.189436 1Rh 6px 0.259828 -0.770176 -0.306030 -0.041280 -1.403517 0.785013 1Rh 6py 1.420471 0.171644 -0.409245 0.744409 -0.498580 0.435545 1Rh 1dz2 0.005109 -0.005168 0.011901 0.004515 -0.003387 0.003402 1Rh 1dxz 0.002787 -0.005935 -0.002534 0.001218 -0.001367 0.010560 1Rh 1dyz 0.005547 -0.001782 0.009707 0.002740 0.000855 0.010029 1Rh 1dx2y2 -0.005562 0.009774 0.003017 -0.000766 0.005996 -0.006337 1Rh 1dxy 0.001827 0.012258 0.000906 0.001819 0.014094 -0.012432 1Rh 2dz2 -0.000678 0.002246 -0.001889 -0.000211 0.001962 -0.001658 1Rh 2dxz -0.000622 0.002492 0.000290 -0.001016 0.002601 -0.002631 1Rh 2dyz -0.000167 0.001004 -0.000874 -0.000368 0.000789 -0.000331 1Rh 2dx2y2 0.001223 -0.003770 -0.000257 -0.000092 -0.003610 0.003869 1Rh 2dxy -0.000453 -0.001134 -0.000444 0.000007 -0.001608 0.002066 1Rh 3dz2 -0.008961 0.002154 -0.019563 -0.009615 -0.000755 -0.000648 1Rh 3dxz -0.003849 0.002844 0.004569 0.001477 -0.008285 -0.013164 1Rh 3dyz -0.012175 -0.000211 -0.018769 -0.004819 -0.005437 -0.022062 1Rh 3dx2y2 0.007658 -0.006065 -0.005984 0.002118 0.002009 -0.002247 1Rh 3dxy -0.002186 -0.023693 -0.000197 -0.004213 -0.025940 0.020156 1Rh 4dz2 -0.013787 0.039026 -0.038094 -0.007484 0.033402 -0.028443 1Rh 4dxz -0.010210 0.043681 0.008599 -0.014391 0.040617 -0.049993 1Rh 4dyz -0.006999 0.015751 -0.021642 -0.007038 0.010062 -0.015020 1Rh 4dx2y2 0.021989 -0.068513 -0.005521 0.000636 -0.062452 0.064598 1Rh 4dxy -0.010625 -0.027114 -0.006459 -0.002957 -0.037392 0.041243 1Rh 5dz2 0.045638 -0.169781 0.162280 0.039647 -0.132727 0.128199 1Rh 5dxz 0.024177 -0.186341 -0.070557 0.053762 -0.156727 0.211760 1Rh 5dyz 0.014762 -0.050174 0.088534 0.021527 -0.007778 0.098678 1Rh 5dx2y2 -0.080751 0.316293 0.012390 -0.027425 0.272620 -0.260794 1Rh 5dxy 0.085426 0.103168 0.017270 0.032105 0.168606 -0.159673 1Rh 1f0 0.007724 -0.001305 0.022528 0.016608 0.016505 0.016073 1Rh 1f+1 0.011531 0.035086 0.020814 0.020135 0.062438 0.040976 1Rh 1f-1 0.008667 -0.007144 -0.046707 0.028091 -0.003641 -0.031353 1Rh 1f+2 0.024541 0.016973 0.023685 0.007700 0.002184 -0.046290 1Rh 1f-2 0.015510 0.009391 0.002857 0.012366 0.029277 -0.024678 1Rh 1f+3 0.016205 0.024463 -0.018997 0.019447 0.010846 0.004555 1Rh 1f-3 -0.019241 0.005716 0.018131 -0.012708 0.027872 -0.027824 2C 1s -0.009662 -0.007274 0.007503 -0.003113 0.011746 0.007323 2C 2s -0.029436 -0.021691 0.021992 -0.008795 0.034822 0.020181 2C 3s 0.292497 0.241388 -0.271691 0.081691 -0.409615 -0.260663 2C 4s -0.640142 -0.615533 0.733447 -0.136685 1.020121 0.677372 2C 5s 0.944602 1.546677 -1.731807 0.856501 -2.571185 -2.763840 2C 1pz -0.136739 -0.221228 -0.050819 -0.230528 0.238249 0.080918 2C 1px -0.072556 0.004421 0.122581 0.265576 -0.214435 -0.114638 2C 1py 0.164210 0.224188 0.253395 0.236768 -0.055186 0.231353 2C 2pz 0.521831 0.745855 0.143079 0.847451 -0.869581 -0.344805 2C 2px 0.293950 -0.007849 -0.513782 -0.855791 0.696795 0.352249 2C 2py -0.437367 -0.677929 -0.872676 -0.715096 0.113149 -0.828197 2C 3pz -0.216696 -0.160687 -0.375101 -0.219788 -0.124367 -0.563264 2C 3px -0.159407 0.005565 0.164404 0.455892 -0.340003 -0.266489 2C 3py 0.392444 0.611975 0.183597 0.491095 -0.495300 -0.033141 2C 1dz2 -0.002094 -0.004962 -0.008797 -0.014535 0.007368 -0.008840 2C 1dxz -0.013265 -0.008539 0.006985 0.003080 -0.006437 -0.008953 2C 1dyz -0.002610 0.000728 -0.004212 -0.003137 0.001270 0.002659 2C 1dx2y2 -0.000494 -0.011424 -0.010603 -0.023235 0.015116 0.001677 2C 1dxy 0.008034 0.009669 0.014433 0.014409 -0.007754 0.007793 2C 2dz2 -0.093488 -0.067700 -0.133419 -0.047716 -0.083415 -0.168006 2C 2dxz -0.123340 -0.085008 -0.178866 0.131275 -0.212837 -0.343218 2C 2dyz 0.161285 0.075650 -0.203757 -0.121350 -0.036749 -0.115828 2C 2dx2y2 -0.178020 -0.252713 -0.142152 -0.368644 0.303478 0.108876 2C 2dxy 0.275946 0.312692 0.137029 0.320652 -0.185989 0.058902 2C 1f0 -0.013366 -0.030914 -0.012887 -0.053743 0.045662 0.011897 2C 1f+1 0.013661 0.004321 0.007698 -0.002157 0.008848 0.017558 2C 1f-1 -0.004669 -0.002603 0.024858 0.008467 0.020449 0.025184 2C 1f+2 0.020476 0.017568 -0.024032 0.012351 -0.044529 -0.047211 2C 1f-2 -0.018310 -0.020284 0.017976 0.002930 0.019982 0.018179 2C 1f+3 -0.003720 -0.000321 -0.030761 -0.003529 -0.021364 -0.031757 2C 1f-3 0.009861 0.007047 -0.003897 -0.010246 0.014125 0.012359 3C 1s -0.015082 0.009700 -0.001930 -0.003403 -0.000489 0.010594 3C 2s -0.045801 0.029261 -0.005419 -0.009279 -0.001606 0.031230 3C 3s 0.511453 -0.357985 0.088528 0.109912 -0.001151 -0.354640 3C 4s -1.287547 0.996522 -0.276701 -0.241294 0.007821 0.874794 3C 5s 1.282284 -1.750679 0.713084 1.077658 0.099630 -2.457028 3C 1pz 0.116595 -0.013491 -0.123713 -0.075324 -0.022833 0.107125 3C 1px -0.084708 0.382357 -0.449982 0.248602 -0.146772 0.063823 3C 1py 0.194046 0.017607 -0.164506 0.122469 -0.136625 -0.024134 3C 2pz -0.284606 0.042862 0.396331 0.335491 0.059283 -0.437373 3C 2px 0.201661 -1.210083 1.443180 -0.883756 0.543911 -0.200354 3C 2py -0.706966 -0.056950 0.515108 -0.521721 0.416139 0.157388 3C 3pz 0.424548 -0.222725 -0.081815 0.055214 -0.136913 -0.174694 3C 3px -0.158594 0.549412 -0.679784 0.452918 -0.261009 -0.057668 3C 3py 0.278582 0.321874 -0.415545 -0.015767 -0.184306 0.426134 3C 1dz2 -0.005178 -0.001710 0.004709 0.003291 0.005481 0.004239 3C 1dxz 0.001034 0.017966 -0.025503 0.021428 -0.011876 0.005103 3C 1dyz -0.005232 0.007010 -0.004493 0.006219 -0.000864 -0.008248 3C 1dx2y2 0.010638 0.002026 -0.011502 0.011143 -0.005781 0.006779 3C 1dxy 0.002366 0.000582 -0.001473 -0.010164 0.005473 0.000936 3C 2dz2 -0.018443 -0.049399 0.110200 -0.059146 0.029084 -0.018128 3C 2dxz 0.083539 0.399220 -0.537343 0.304843 -0.194571 -0.022166 3C 2dyz -0.414298 0.278454 -0.115549 0.046825 0.071112 0.055546 3C 2dx2y2 0.010751 0.158057 -0.292838 -0.114466 -0.033418 0.160152 3C 2dxy 0.027532 0.013387 -0.079582 -0.031186 -0.039342 0.112639 3C 1f0 0.012476 0.001058 -0.016381 -0.001735 -0.010566 0.007084 3C 1f+1 -0.002154 -0.009873 0.012106 -0.016945 0.011733 0.012319 3C 1f-1 -0.018655 0.008411 0.011912 -0.019277 0.004444 -0.004429 3C 1f+2 0.042082 -0.037744 0.018067 0.013335 -0.007497 -0.035708 3C 1f-2 0.036499 -0.019648 0.007820 0.013920 -0.009388 -0.037116 3C 1f+3 -0.003774 0.030114 -0.038306 0.002212 -0.007626 0.017453 3C 1f-3 -0.017877 0.031007 -0.033755 0.027889 -0.008512 0.004108 4C 1s 0.002211 0.005927 -0.010125 -0.001831 -0.012054 -0.015980 4C 2s 0.007870 0.019424 -0.032572 -0.004807 -0.039379 -0.051814 4C 3s -0.126779 -0.224961 0.441425 0.012351 0.615328 0.600537 4C 4s 0.494489 0.526327 -1.211321 0.057059 -2.012127 -1.456937 4C 5s 0.048646 -0.494349 0.470879 -0.565954 0.955492 1.183723 4C 1pz 0.119316 0.068649 0.055873 0.059479 -0.071553 0.071354 4C 1px 0.062351 0.046262 0.013328 0.002285 -0.043113 0.028041 4C 1py -0.149252 -0.150043 -0.048814 -0.027010 0.020535 -0.179208 4C 2pz -0.031330 0.055352 -0.287334 -0.095840 -0.303040 -0.470341 4C 2px 0.191458 -0.073503 -0.636161 0.125452 -0.107550 -0.282148 4C 2py 0.316210 0.310144 -0.265780 0.203425 -0.401074 -0.026808 4C 3pz 0.425190 0.724679 -0.516213 0.376225 -0.981183 -1.288150 4C 3px -0.007535 0.011697 0.141229 0.087813 -0.489312 -0.130761 4C 3py -0.328407 0.069059 -0.312786 0.242947 -0.668301 -0.966876 4C 1dz2 -0.018127 0.000602 -0.000532 0.018541 -0.008718 -0.007850 4C 1dxz -0.007251 0.001355 0.007685 0.007772 -0.000224 0.005349 4C 1dyz 0.004936 0.002440 -0.002058 -0.008557 -0.002448 -0.007224 4C 1dx2y2 0.000138 0.011184 0.003072 0.023276 -0.015933 -0.000585 4C 1dxy -0.006311 -0.007290 -0.009416 -0.014954 0.002827 -0.005360 4C 2dz2 -0.265736 -0.060834 0.388236 -0.003150 0.154302 0.278363 4C 2dxz 0.137415 -0.020449 -0.248469 -0.018382 0.240079 0.115118 4C 2dyz -0.027416 -0.034844 0.073144 -0.057207 0.103324 0.116253 4C 2dx2y2 0.133030 0.108457 -0.239319 0.155811 -0.370032 -0.324832 4C 2dxy 0.099128 0.042509 -0.423249 -0.023653 -0.100863 -0.178672 4C 1f0 0.010013 -0.007788 -0.000313 -0.017375 0.019749 0.009242 4C 1f+1 -0.003445 -0.003016 0.026469 -0.002835 0.032587 0.021322 4C 1f-1 -0.006691 -0.003313 0.003697 -0.004264 -0.002388 -0.015172 4C 1f+2 0.001870 0.010978 -0.001506 -0.004019 -0.016171 -0.006912 4C 1f-2 -0.000028 0.000641 -0.005115 0.015690 -0.010417 -0.014912 4C 1f+3 0.003897 0.006968 0.013015 -0.000473 0.002164 -0.002163 4C 1f-3 -0.014472 -0.004257 0.030948 0.002241 0.029967 0.020053 5C 1s 0.012055 -0.014851 0.006650 0.003779 -0.007548 -0.010456 5C 2s 0.038807 -0.047147 0.020907 0.012852 -0.023350 -0.034643 5C 3s -0.513165 0.552978 -0.272818 -0.206875 0.205245 0.552462 5C 4s 1.500930 -1.472096 0.746513 0.638613 -0.305223 -1.939980 5C 5s -0.290454 0.613697 -0.080684 -0.536896 -0.106123 0.685808 5C 1pz -0.169367 -0.017326 0.070073 0.023656 0.141405 0.047093 5C 1px -0.014604 -0.003554 0.041113 -0.022465 0.037921 -0.014144 5C 1py -0.103454 -0.047707 0.078249 -0.011902 0.098137 0.094418 5C 2pz 0.628379 -0.184618 0.091597 0.283380 -0.327498 -0.349347 5C 2px -0.354493 0.058063 -0.225178 -0.165529 0.204675 0.149386 5C 2py -0.421404 0.353121 -0.363968 -0.238674 -0.016669 0.337196 5C 3pz -0.662396 -0.208431 0.232349 0.189543 0.171501 -0.619033 5C 3px 0.150636 -0.360571 0.156398 0.472275 -0.226907 -0.273650 5C 3py 0.065511 0.345100 -0.172731 -0.353949 0.139986 1.201029 5C 1dz2 0.009832 0.006886 -0.008603 -0.013608 -0.008376 -0.007152 5C 1dxz -0.000184 -0.007360 0.016854 -0.021225 -0.001099 -0.002289 5C 1dyz -0.007630 0.003941 -0.003087 0.007601 0.008101 0.013494 5C 1dx2y2 0.016241 -0.009125 0.007042 -0.013781 0.002535 -0.019865 5C 1dxy -0.000078 -0.000347 0.001106 -0.002624 0.005243 -0.007775 5C 2dz2 0.101983 0.030948 -0.067450 0.003411 -0.077712 0.034927 5C 2dxz -0.324408 0.101612 -0.035819 -0.332231 0.151633 0.226544 5C 2dyz -0.127853 0.014927 -0.034038 -0.113178 0.107194 0.077669 5C 2dx2y2 0.039381 -0.102096 0.116773 -0.048930 0.058541 -0.283620 5C 2dxy 0.410253 -0.119387 0.142670 0.410451 -0.246283 -0.239119 5C 1f0 -0.023737 0.006205 -0.006173 -0.010113 0.014573 0.023756 5C 1f+1 -0.013498 0.012595 -0.006972 0.003803 0.006607 0.020197 5C 1f-1 0.004316 0.002350 -0.006191 -0.004999 -0.001743 -0.007024 5C 1f+2 0.010860 0.004969 -0.010477 0.003404 -0.002252 -0.007277 5C 1f-2 0.026148 -0.017797 0.020949 0.006304 -0.001421 -0.025072 5C 1f+3 -0.011178 0.020657 -0.010692 0.004667 -0.009310 0.009528 5C 1f-3 0.013958 -0.008588 0.002810 0.029189 -0.001090 -0.022402 6C 1s 0.012350 0.015129 0.005452 0.002298 0.007225 0.011387 6C 2s 0.039759 0.048037 0.017046 0.008137 0.022407 0.037724 6C 3s -0.524683 -0.567386 -0.220999 -0.149918 -0.197902 -0.590464 6C 4s 1.533367 1.515594 0.588669 0.481566 0.295233 2.061064 6C 5s -0.306477 -0.618554 0.004781 -0.483863 0.079967 -0.731411 6C 1pz 0.168788 -0.027882 -0.070090 -0.029834 0.138239 0.047516 6C 1px 0.014334 -0.007407 -0.038988 0.021560 0.038151 -0.015151 6C 1py 0.102627 -0.056589 -0.075502 0.008545 0.099266 0.094672 6C 2pz -0.630870 -0.185147 -0.070645 -0.249402 -0.327846 -0.383843 6C 2px 0.352419 0.067126 0.225476 0.149529 0.193165 0.158409 6C 2py 0.427744 0.382157 0.329257 0.209093 -0.019853 0.390683 6C 3pz 0.649442 -0.249700 -0.198647 -0.161823 0.139448 -0.586941 6C 3px -0.166738 -0.364987 -0.132893 -0.428087 -0.228056 -0.280016 6C 3py -0.050820 0.372811 0.111991 0.285390 0.176619 1.153787 6C 1dz2 0.009833 -0.008100 -0.007707 -0.013739 0.007417 0.007534 6C 1dxz -0.000290 0.007622 0.016562 -0.021385 -0.000724 0.002165 6C 1dyz -0.007725 -0.003630 -0.002991 0.008463 -0.007101 -0.013811 6C 1dx2y2 0.016454 0.008865 0.005913 -0.014616 -0.003686 0.021578 6C 1dxy -0.000048 0.000042 0.000941 -0.002501 -0.005648 0.008821 6C 2dz2 0.101462 -0.039396 -0.059092 0.003540 0.072576 -0.031758 6C 2dxz -0.327731 -0.109256 -0.028414 -0.313315 -0.161324 -0.240708 6C 2dyz -0.128584 -0.014586 -0.036892 -0.105965 -0.102462 -0.075322 6C 2dx2y2 0.042711 0.115540 0.098438 -0.060271 -0.052858 0.292903 6C 2dxy 0.412710 0.124752 0.137371 0.386442 0.243845 0.265110 6C 1f0 0.023856 0.006588 0.005827 0.008636 0.014512 0.025376 6C 1f+1 0.013814 0.012560 0.005683 -0.005304 0.005720 0.021381 6C 1f-1 -0.004392 0.003049 0.005962 0.005152 -0.001406 -0.007431 6C 1f+2 -0.010822 0.005832 0.010080 -0.003331 -0.002233 -0.007090 6C 1f-2 -0.026298 -0.018985 -0.018827 -0.004504 -0.000821 -0.025973 6C 1f+3 0.011733 0.021347 0.008112 -0.005782 -0.009509 0.010104 6C 1f-3 -0.014261 -0.009371 -0.001599 -0.027784 -0.002212 -0.023534 7C 1s 0.001765 -0.006381 -0.009790 -0.002440 0.012501 0.015383 7C 2s 0.006449 -0.020862 -0.031458 -0.006787 0.040855 0.050270 7C 3s -0.110111 0.244824 0.426235 0.044539 -0.634367 -0.600754 7C 4s 0.454131 -0.581799 -1.168572 -0.048216 2.065166 1.495697 7C 5s 0.085697 0.479390 0.450653 -0.515170 -1.003876 -1.331485 7C 1pz -0.119444 0.061679 -0.066584 -0.064371 -0.073678 0.058251 7C 1px -0.061565 0.045690 -0.021362 -0.006301 -0.044687 0.031308 7C 1py 0.146567 -0.142848 0.067328 0.041520 0.023131 -0.195243 7C 2pz 0.037992 0.081748 0.293252 0.126045 -0.305179 -0.471350 7C 2px -0.186449 -0.050962 0.643304 -0.102461 -0.136873 -0.297307 7C 2py -0.305912 0.309601 0.228841 -0.203414 -0.431777 -0.014238 7C 3pz -0.413461 0.739861 0.460712 -0.343851 -1.001035 -1.432946 7C 3px 0.002488 0.017046 -0.148567 -0.058392 -0.468305 -0.193746 7C 3py 0.329838 0.089463 0.321974 -0.189297 -0.675692 -1.097526 7C 1dz2 -0.018078 0.000404 -0.000217 0.018006 0.010153 0.007026 7C 1dxz -0.007134 -0.000516 0.008330 0.008223 0.000876 -0.007559 7C 1dyz 0.004874 -0.002995 -0.001971 -0.008644 0.001771 0.007149 7C 1dx2y2 0.000011 -0.009735 0.004462 0.023223 0.017687 0.000572 7C 1dxy -0.006430 0.005722 -0.010137 -0.015108 -0.003241 0.004675 7C 2dz2 -0.260843 0.084729 0.381866 0.008481 -0.168682 -0.288024 7C 2dxz 0.133593 0.009076 -0.245674 -0.000956 -0.222376 -0.167148 7C 2dyz -0.025878 0.035310 0.070187 -0.052725 -0.112981 -0.124141 7C 2dx2y2 0.129767 -0.119458 -0.228043 0.134973 0.384009 0.358693 7C 2dxy 0.094171 -0.063390 -0.415775 -0.028173 0.123638 0.164578 7C 1f0 -0.010366 -0.006366 0.000845 0.016288 0.020896 0.010641 7C 1f+1 0.002897 -0.004579 -0.025850 0.000993 0.033974 0.020387 7C 1f-1 0.006345 -0.003358 -0.003621 0.004730 -0.002340 -0.014649 7C 1f+2 -0.001263 0.010898 0.000972 0.004715 -0.015633 -0.007926 7C 1f-2 -0.000060 -0.000043 0.005283 -0.014374 -0.011044 -0.017108 7C 1f+3 -0.004069 0.006416 -0.012887 0.000276 0.002966 -0.003511 7C 1f-3 0.014002 -0.006035 -0.030421 -0.004049 0.030852 0.021621 8C 1s -0.015149 -0.009674 -0.000771 -0.002554 0.000484 -0.011163 8C 2s -0.045968 -0.029122 -0.001937 -0.006750 0.001648 -0.032769 8C 3s 0.514201 0.358048 0.047741 0.078832 -0.000810 0.372043 8C 4s -1.295817 -0.997246 -0.166530 -0.157141 0.004137 -0.919458 8C 5s 1.317454 1.810212 0.484756 0.894238 -0.050014 2.509213 8C 1pz -0.118301 0.006458 0.131142 0.071685 -0.020709 0.105393 8C 1px 0.086060 0.402563 0.410141 -0.257593 -0.171838 0.076823 8C 1py -0.195863 0.032152 0.164019 -0.115666 -0.144029 -0.032623 8C 2pz 0.288877 -0.021919 -0.418106 -0.320433 0.048272 -0.441149 8C 2px -0.205945 -1.275725 -1.312360 0.909850 0.622708 -0.244385 8C 2py 0.713570 -0.098333 -0.517335 0.498452 0.448920 0.197131 8C 3pz -0.429806 -0.198512 0.119278 -0.033170 -0.138110 -0.180747 8C 3px 0.160003 0.578089 0.627770 -0.457738 -0.305034 -0.035874 8C 3py -0.271022 0.360731 0.380667 -0.007110 -0.185730 0.421124 8C 1dz2 -0.005350 0.002132 0.004071 0.003725 -0.004974 -0.004609 8C 1dxz 0.001147 -0.019087 -0.023694 0.021719 0.013619 -0.006203 8C 1dyz -0.005184 -0.007083 -0.003775 0.006314 0.001308 0.008362 8C 1dx2y2 0.010658 -0.002672 -0.011168 0.011071 0.006395 -0.006378 8C 1dxy 0.002499 -0.000836 -0.001809 -0.009966 -0.005605 -0.000616 8C 2dz2 -0.019671 0.049744 0.100609 -0.055641 -0.033534 0.015233 8C 2dxz 0.087228 -0.424982 -0.502556 0.310018 0.227254 0.015536 8C 2dyz -0.417328 -0.274196 -0.089236 0.064859 -0.056684 -0.084739 8C 2dx2y2 0.010336 -0.181775 -0.277665 -0.105597 0.033767 -0.170455 8C 2dxy 0.030242 -0.023796 -0.077227 -0.029990 0.035411 -0.120202 8C 1f0 -0.012561 0.002708 0.015811 0.002293 -0.010237 0.006690 8C 1f+1 0.001761 -0.010629 -0.011125 0.016100 0.012796 0.011416 8C 1f-1 0.018911 0.007507 -0.013065 0.018474 0.005610 -0.003757 8C 1f+2 -0.042306 -0.038501 -0.014381 -0.009796 -0.007036 -0.038478 8C 1f-2 -0.037524 -0.020631 -0.005701 -0.011372 -0.009666 -0.039226 8C 1f+3 0.003506 0.031789 0.034969 -0.003414 -0.008827 0.018468 8C 1f-3 0.017495 0.031808 0.031032 -0.028913 -0.011733 0.005718 9C 1s -0.008917 0.007443 0.007085 -0.002762 -0.012063 -0.008840 9C 2s -0.027137 0.022179 0.020756 -0.007790 -0.035683 -0.024698 9C 3s 0.266895 -0.248344 -0.257722 0.068507 0.420030 0.303811 9C 4s -0.573793 0.635236 0.698206 -0.104797 -1.048230 -0.754480 9C 5s 0.850516 -1.600566 -1.643033 0.749753 2.650070 3.070107 9C 1pz 0.133960 -0.199560 0.072000 0.227714 0.253198 0.092287 9C 1px 0.071852 -0.027335 -0.117203 -0.233320 -0.212521 -0.181210 9C 1py -0.167187 0.190900 -0.279084 -0.254585 -0.067191 0.241681 9C 2pz -0.513246 0.677092 -0.212844 -0.832382 -0.921865 -0.413831 9C 2px -0.290437 0.100240 0.493476 0.750880 0.683746 0.580431 9C 2py 0.446716 -0.568739 0.951261 0.775888 0.147831 -0.877938 9C 3pz 0.221955 -0.114496 0.402255 0.246781 -0.113080 -0.605912 9C 3px 0.157380 -0.049626 -0.154149 -0.403600 -0.339727 -0.381041 9C 3py -0.387548 0.563297 -0.247379 -0.506751 -0.527715 -0.049790 9C 1dz2 -0.002046 0.003544 -0.009551 -0.014781 -0.008186 0.008319 9C 1dxz -0.013133 0.009349 0.005892 0.001478 0.005584 0.013712 9C 1dyz -0.002844 -0.001078 -0.003968 -0.002714 -0.000933 -0.005229 9C 1dx2y2 -0.000769 0.009581 -0.011992 -0.023037 -0.016137 -0.003376 9C 1dxy 0.008193 -0.007657 0.015007 0.014086 0.007645 -0.007097 9C 2dz2 -0.097087 0.054119 -0.139828 -0.059407 0.081896 0.175522 9C 2dxz -0.128203 0.085852 -0.189395 0.097840 0.218302 0.410154 9C 2dyz 0.150542 -0.093430 -0.200963 -0.116608 0.044136 0.095845 9C 2dx2y2 -0.186512 0.224948 -0.168190 -0.361044 -0.318807 -0.153900 9C 2dxy 0.272998 -0.275646 0.160386 0.318113 0.197991 -0.061147 9C 1f0 0.013151 -0.026511 0.016081 0.052284 0.048311 0.015321 9C 1f+1 -0.013547 0.003462 -0.007817 0.001782 0.009970 0.020013 9C 1f-1 0.003335 -0.004084 -0.024466 -0.009183 0.021190 0.024840 9C 1f+2 -0.019746 0.018312 0.023828 -0.009028 -0.045925 -0.054886 9C 1f-2 0.016564 -0.021194 -0.016327 -0.002750 0.020210 0.015868 9C 1f+3 0.005437 0.001088 0.030767 0.005250 -0.022001 -0.034455 9C 1f-3 -0.009384 0.007900 0.004296 0.008257 0.012528 0.017221 10H 1s 0.008195 -0.023794 -0.005283 -0.061594 0.081268 0.066542 10H 2s 0.095184 0.370870 0.088305 0.939553 -1.059934 -0.753065 10H 3s -0.121060 -0.336972 -0.002900 -0.705800 0.767570 0.527863 10H 1pz 0.100034 0.117407 -0.027434 0.056120 -0.056836 -0.035955 10H 1px 0.015365 -0.028777 -0.045092 -0.168983 0.196435 0.115856 10H 1py -0.113501 -0.120657 -0.102448 -0.109684 0.046125 -0.045134 11H 1s -0.044553 -0.049371 0.008633 -0.020589 0.025733 -0.004861 11H 2s 0.760528 0.739863 0.089917 0.249307 -0.249665 0.275624 11H 3s -0.638705 -0.693495 0.119457 -0.239928 0.368846 -0.074616 11H 1pz -0.013616 0.000849 -0.011366 0.022855 -0.061687 -0.036502 11H 1px 0.153774 0.097639 -0.057665 -0.064563 0.047617 -0.008054 11H 1py -0.038632 -0.135507 -0.102122 -0.165671 0.099074 -0.123032 12H 1s 0.024829 0.029073 0.072478 0.063293 -0.012753 0.057193 12H 2s -0.366715 -0.631454 -0.926534 -0.999526 0.300201 -0.516671 12H 3s 0.098541 0.328142 0.783269 0.667255 -0.135330 0.485264 12H 1pz 0.056413 0.155404 0.138435 0.250288 -0.148524 0.070675 12H 1px -0.090499 -0.049596 -0.070588 -0.046910 0.007429 0.019082 12H 1py 0.018124 -0.035485 -0.118052 -0.090506 0.011809 -0.101847 13H 1s -0.008021 -0.023009 0.033103 -0.067535 0.030962 0.030969 13H 2s 0.066913 0.629664 -0.740334 0.858040 -0.361320 -0.350955 13H 3s -0.094777 -0.366242 0.515936 -0.631025 0.183495 0.286955 13H 1pz -0.011052 -0.053813 0.062376 0.059250 -0.010821 -0.040104 13H 1px -0.008213 -0.186842 0.218219 -0.157553 0.082719 0.035788 13H 1py -0.073045 0.006764 0.012131 0.005833 -0.003575 0.017302 14H 1s 0.000092 0.064962 -0.088726 0.026778 -0.030861 0.038099 14H 2s 0.122095 -1.081916 1.396367 -0.459874 0.409606 -0.431482 14H 3s -0.212474 0.874013 -0.994010 0.321054 -0.384787 0.431993 14H 1pz 0.028042 0.036988 0.002847 -0.009291 0.020332 -0.058030 14H 1px 0.036857 -0.208079 0.219919 -0.046682 0.055885 -0.046824 14H 1py -0.030580 -0.117786 0.214137 -0.167551 0.100825 -0.078540 15H 1s -0.057335 0.027575 0.011540 -0.007185 0.018252 0.003305 15H 2s 0.912252 -0.325824 -0.310459 0.015034 -0.265771 -0.002233 15H 3s -0.805495 0.376413 0.131512 -0.111832 0.129314 0.161837 15H 1pz -0.107359 0.025041 0.092664 -0.029099 0.037358 -0.035200 15H 1px 0.053877 -0.054181 0.102117 -0.145405 0.078249 -0.071642 15H 1py -0.084291 0.051519 0.000610 -0.032161 0.034883 0.027807 16H 1s 0.023038 0.064964 0.002144 -0.021510 0.176305 0.049224 16H 2s -0.176904 -0.661310 -0.102602 0.170322 -1.221629 0.038370 16H 3s 0.030847 0.081581 0.091633 -0.032997 0.217667 0.101323 16H 1pz -0.018889 -0.053901 0.010523 0.019897 -0.137521 -0.043759 16H 1px 0.083248 0.061596 -0.036685 0.023649 0.099107 -0.023026 16H 1py 0.010385 0.038419 -0.046831 0.002419 -0.021794 -0.087691 17H 1s 0.008314 0.025842 -0.016347 0.011803 -0.001928 -0.169589 17H 2s -0.056649 -0.443588 0.110132 -0.006995 -0.203105 1.263240 17H 3s -0.029615 0.005175 -0.061224 0.008600 -0.067088 -0.281725 17H 1pz -0.034999 0.003144 0.002815 -0.013526 -0.008198 -0.042715 17H 1px 0.080794 0.046644 0.000380 0.046090 0.037611 -0.159001 17H 1py 0.057549 0.056819 0.049326 0.011127 0.078928 0.018446 18H 1s 0.005891 -0.024645 -0.015826 0.011836 0.000871 0.169537 18H 2s -0.038399 0.433747 0.097218 -0.029666 0.206439 -1.274778 18H 3s -0.030467 -0.006116 -0.063026 0.002281 0.065712 0.288350 18H 1pz 0.035882 0.000967 -0.000741 0.012742 -0.007726 -0.038438 18H 1px -0.077459 0.046426 -0.000555 -0.046406 0.037815 -0.165383 18H 1py -0.057214 0.056706 -0.050460 -0.016581 0.080898 0.014789 19H 1s 0.021542 -0.066792 0.001704 -0.008411 -0.176106 -0.066374 19H 2s -0.161584 0.669586 -0.106348 0.077633 1.225755 0.053928 19H 3s 0.028297 -0.080393 0.090104 -0.019008 -0.219715 -0.122855 19H 1pz 0.017123 -0.055972 -0.010882 -0.009553 -0.135005 -0.053380 19H 1px -0.081933 0.061112 0.035185 -0.030465 0.096411 -0.022435 19H 1py -0.009862 0.037646 0.042602 -0.002541 -0.027504 -0.100334 20H 1s -0.057971 -0.025343 0.014753 -0.004565 -0.017965 -0.006553 20H 2s 0.921974 0.276739 -0.349958 -0.015015 0.258996 0.042490 20H 3s -0.812014 -0.349204 0.181277 -0.076923 -0.128770 -0.194051 20H 1pz 0.109099 0.014631 -0.099130 0.027345 0.040774 -0.033505 20H 1px -0.054993 -0.059013 -0.091909 0.145136 0.085575 -0.075223 20H 1py 0.084630 0.049300 -0.003857 0.027397 0.033794 0.034465 21H 1s -0.000178 -0.070205 -0.081906 0.029431 0.034585 -0.041452 21H 2s 0.120773 1.161611 1.291557 -0.498230 -0.470975 0.470586 21H 3s -0.213903 -0.933533 -0.903740 0.355711 0.423976 -0.464432 21H 1pz -0.028154 0.032508 -0.005896 0.009408 0.019399 -0.059268 21H 1px -0.036916 -0.219187 -0.199376 0.053241 0.064719 -0.053335 21H 1py 0.031310 -0.130531 -0.202914 0.169169 0.114060 -0.080365 22H 1s -0.008524 0.023031 0.030398 -0.065777 -0.035323 -0.030335 22H 2s 0.068256 -0.644547 -0.675077 0.851422 0.427966 0.339454 22H 3s -0.096315 0.378415 0.482675 -0.622715 -0.231114 -0.283741 22H 1pz 0.011311 -0.061262 -0.061860 -0.053775 -0.010571 -0.042853 22H 1px 0.008164 -0.194538 -0.199872 0.159293 0.097548 0.030427 22H 1py 0.073833 0.004623 -0.017525 -0.006501 -0.001762 0.020689 23H 1s 0.025937 -0.021014 0.075781 0.064931 0.013669 -0.053335 23H 2s -0.388978 0.504749 -0.989160 -1.013365 -0.327059 0.479790 23H 3s 0.122805 -0.230002 0.826097 0.679185 0.150680 -0.476015 23H 1pz -0.058167 0.129498 -0.156215 -0.251313 -0.160834 0.067011 23H 1px 0.092599 -0.037021 0.070649 0.039666 0.004445 0.034311 23H 1py -0.014041 -0.022989 0.124069 0.094804 0.013842 -0.103859 24H 1s -0.043672 0.048587 0.003876 -0.023680 -0.029264 0.013543 24H 2s 0.747791 -0.716002 0.162050 0.305240 0.289019 -0.376847 24H 3s -0.617555 0.682502 0.054631 -0.275955 -0.404822 0.136998 24H 1pz 0.016173 -0.000874 0.011870 -0.019014 -0.062407 -0.044377 24H 1px -0.151138 0.105567 0.048730 0.051885 0.043045 0.012553 24H 1py 0.036556 -0.117883 0.119510 0.175749 0.110997 -0.138187 25H 1s 0.008622 0.019356 -0.006557 -0.054926 -0.082652 -0.082388 25H 2s 0.086332 -0.294045 0.108861 0.850319 1.083683 0.968871 25H 3s -0.109422 0.281732 -0.020642 -0.646704 -0.787125 -0.689462 25H 1pz -0.097770 0.113480 0.016608 -0.059022 -0.065128 -0.032632 25H 1px -0.017720 -0.011163 0.044629 0.148504 0.197353 0.158604 25H 1py 0.114233 -0.103377 0.114994 0.113973 0.053164 -0.041416 26O 1s 0.002119 -0.000166 -0.001283 0.000282 -0.001441 -0.001985 26O 2s 0.005248 -0.001113 -0.002140 0.001092 -0.001988 -0.002744 26O 3s 0.002826 0.017892 -0.046637 -0.004543 -0.046341 -0.053000 26O 4s -0.131459 -0.062327 0.358691 0.016536 0.306640 0.382021 26O 5s -0.620459 -0.298554 1.244022 -0.387125 0.689670 0.546538 26O 1pz -0.015952 0.007753 0.037011 0.000567 -0.007631 -0.031614 26O 1px 0.012558 -0.017770 -0.027663 -0.003442 -0.009381 0.003647 26O 1py -0.008806 -0.000830 0.013390 0.009732 -0.022561 0.007880 26O 2pz 0.033316 0.001845 -0.066978 0.022050 -0.061061 -0.028816 26O 2px 0.156184 0.068715 -0.371993 0.028826 -0.169740 -0.181358 26O 2py 0.043404 0.029162 -0.172420 0.053941 -0.110044 -0.092513 26O 3pz -0.189666 -0.125761 0.219528 -0.072641 -0.238419 0.139055 26O 3px 0.116554 0.141185 -0.240047 0.107647 -0.503024 -0.454487 26O 3py 0.218854 -0.073775 0.048096 -0.017755 -0.274163 -0.249800 26O 1dz2 -0.000188 0.001536 0.003280 0.000088 0.001806 -0.000467 26O 1dxz 0.001996 0.000195 0.001061 0.001174 -0.003784 -0.000260 26O 1dyz 0.000065 0.001313 0.002602 0.001450 -0.000956 -0.001682 26O 1dx2y2 0.001407 -0.000650 -0.003029 -0.001965 -0.000802 0.002215 26O 1dxy 0.000999 -0.000789 -0.000549 0.002799 -0.003674 -0.002349 26O 2dz2 0.056714 -0.032709 -0.119440 -0.153497 -0.033476 -0.047407 26O 2dxz 0.084872 0.047777 -0.003154 -0.049808 0.144174 0.064180 26O 2dyz 0.008308 0.009223 0.002427 0.128697 -0.130498 -0.035365 26O 2dx2y2 0.060259 -0.013453 0.044391 -0.176156 0.097253 0.027489 26O 2dxy -0.099935 -0.008958 0.063374 -0.028809 0.083540 0.023874 26O 1f0 -0.000638 -0.002550 -0.001691 -0.001804 0.002058 -0.000122 26O 1f+1 -0.000919 -0.001061 0.004842 -0.001128 0.006132 0.002297 26O 1f-1 0.001051 -0.001724 0.002102 0.001141 -0.000078 0.004519 26O 1f+2 0.001497 0.000630 -0.000348 -0.000986 -0.001237 -0.001565 26O 1f-2 0.000080 0.000993 -0.000906 -0.000772 0.000282 0.000127 26O 1f+3 -0.004944 -0.004301 0.001564 -0.003577 0.002976 -0.000215 26O 1f-3 -0.002030 -0.000456 0.008182 0.001103 0.004958 0.005324 27O 1s -0.001604 0.002418 -0.000683 -0.002531 0.002636 -0.002002 27O 2s -0.005549 0.006834 -0.002982 -0.007147 0.006030 -0.004098 27O 3s 0.034606 -0.034815 0.030930 0.021635 0.003140 -0.019232 27O 4s -0.043951 0.051610 -0.130902 0.079036 -0.148131 0.169733 27O 5s 0.301503 0.351011 0.094539 -0.076879 0.004367 0.427430 27O 1pz 0.016261 0.000160 0.006769 0.035680 -0.032859 -0.008760 27O 1px -0.026592 0.017618 0.002118 -0.021995 0.020017 0.027537 27O 1py -0.021251 -0.008299 -0.002093 -0.026282 0.007948 0.018393 27O 2pz -0.030863 0.005747 -0.006716 0.033621 -0.003017 0.007036 27O 2px -0.107890 -0.079410 0.025460 -0.091632 0.075924 -0.050494 27O 2py 0.016703 0.033091 -0.009519 0.015974 0.001290 0.040399 27O 3pz 0.390774 -0.090040 -0.035923 0.083758 -0.048566 0.031752 27O 3px 0.581133 -0.275086 0.106917 0.335966 0.039968 -0.666621 27O 3py -0.440784 0.168515 -0.167401 -0.297560 0.231070 0.122962 27O 1dz2 -0.000526 -0.000107 0.000655 -0.000672 -0.001196 0.000893 27O 1dxz 0.000082 0.000797 -0.001423 0.004231 0.000832 0.000334 27O 1dyz 0.000214 -0.001648 0.001263 -0.001970 -0.000676 0.000839 27O 1dx2y2 -0.001997 -0.000796 0.000854 -0.002118 0.002344 0.000333 27O 1dxy -0.003198 -0.000302 0.000726 -0.002269 0.001659 0.004141 27O 2dz2 -0.080925 0.104870 -0.158331 0.132530 0.059778 0.083628 27O 2dxz -0.134877 0.056913 -0.043594 0.088155 0.074522 0.050177 27O 2dyz 0.040501 0.021478 0.052392 -0.076065 0.014166 -0.034241 27O 2dx2y2 -0.055821 0.047021 -0.043838 0.110636 0.001350 0.113237 27O 2dxy -0.023341 -0.044663 0.082469 0.024155 0.001238 0.021356 27O 1f0 0.002911 0.001261 -0.002344 0.001451 0.000335 -0.001586 27O 1f+1 -0.001664 0.004211 -0.001289 0.000480 -0.000014 0.001854 27O 1f-1 0.001853 -0.001986 0.002777 -0.001626 0.000315 -0.001464 27O 1f+2 0.000110 -0.000965 0.003662 -0.000008 0.001012 -0.000854 27O 1f-2 0.003460 -0.001385 -0.000275 0.001251 -0.002764 -0.000639 27O 1f+3 -0.000687 0.004918 -0.002466 -0.001401 -0.000250 0.001630 27O 1f-3 0.003107 -0.002748 0.000358 0.001978 -0.002175 -0.000738 28O 1s 0.000051 -0.001716 0.003835 0.001892 -0.002496 0.000213 28O 2s -0.000093 -0.004420 0.011559 0.004228 -0.003824 0.001713 28O 3s -0.001385 0.016232 -0.048285 0.001711 -0.053347 -0.037418 28O 4s 0.055702 0.000329 -0.015781 -0.120155 0.386066 0.207254 28O 5s -0.072914 -0.402740 -0.138827 0.258738 0.390535 0.365061 28O 1pz -0.007201 -0.000942 -0.018042 0.014061 -0.000735 -0.008666 28O 1px 0.009792 0.000832 -0.042166 0.005088 -0.033114 -0.049895 28O 1py 0.011263 -0.010636 -0.046834 -0.012633 -0.005301 -0.012974 28O 2pz -0.035855 0.077426 0.061311 0.009339 -0.125772 -0.100071 28O 2px 0.081715 -0.040030 -0.081596 0.000412 0.117438 0.077451 28O 2py -0.042222 0.005537 -0.004993 0.014719 -0.025854 -0.047337 28O 3pz 0.455588 0.112809 -0.501993 -0.030330 -0.329114 -0.252300 28O 3px -0.162426 -0.065513 0.160642 0.026384 0.544249 0.245295 28O 3py 0.127916 0.089107 -0.280241 -0.121480 -0.018255 -0.161876 28O 1dz2 0.005310 0.001602 -0.001611 0.000937 -0.002133 0.000522 28O 1dxz -0.001904 -0.001115 -0.001546 -0.000573 0.001303 0.000393 28O 1dyz 0.000394 -0.002053 -0.002459 -0.000070 -0.001068 -0.001702 28O 1dx2y2 -0.002371 0.000453 0.001660 -0.000036 -0.000363 0.000942 28O 1dxy 0.001453 0.000247 0.001679 -0.000094 0.000304 0.003221 28O 2dz2 0.215963 0.098583 0.076784 -0.066033 0.039468 0.097911 28O 2dxz 0.105704 0.073436 0.036461 -0.010090 -0.041045 -0.011768 28O 2dyz -0.107496 -0.023970 -0.001969 0.024514 -0.000175 -0.065518 28O 2dx2y2 0.186166 0.113119 -0.001652 0.056030 0.028554 -0.041960 28O 2dxy -0.010519 0.059669 -0.030503 -0.030794 -0.005620 -0.057406 28O 1f0 0.000579 -0.000833 0.000951 0.000062 0.000943 0.002415 28O 1f+1 0.000094 -0.003023 0.002720 -0.000542 0.003751 0.003601 28O 1f-1 -0.000468 0.000502 0.001925 0.000278 0.000654 0.000422 28O 1f+2 0.001191 0.003727 -0.001941 -0.001217 -0.004310 -0.003534 28O 1f-2 0.000961 0.001671 0.002080 -0.000677 0.002351 0.002112 28O 1f+3 -0.001619 0.000244 -0.000742 -0.003180 -0.000187 -0.001339 28O 1f-3 0.000278 -0.000168 0.002021 0.000685 -0.000289 0.004481 29O 1s 0.003172 0.005975 -0.000082 0.000129 0.008720 -0.007799 29O 2s 0.008043 0.015857 -0.000525 0.000255 0.024614 -0.021188 29O 3s -0.014170 -0.041876 0.008882 0.002060 -0.097861 0.065604 29O 4s -0.149460 -0.250740 -0.033438 -0.009372 -0.187606 0.267209 29O 5s 0.554719 1.202785 0.020419 -0.052234 1.477133 -1.425277 29O 1pz 0.012412 0.012354 0.005892 -0.005443 0.046600 0.044526 29O 1px -0.033082 -0.018063 0.012351 -0.012366 -0.013020 0.034858 29O 1py -0.028312 -0.024007 0.002154 -0.011164 0.001388 0.003887 29O 2pz -0.034962 -0.075705 -0.014845 0.037174 -0.239092 -0.195410 29O 2px 0.034683 0.060261 -0.012604 0.013713 0.044068 -0.181686 29O 2py -0.033000 -0.039747 0.017176 -0.008514 -0.085968 0.087523 29O 3pz 0.032454 0.002201 -0.181623 0.048702 -0.127039 -0.237761 29O 3px -0.270504 -0.188773 -0.055527 -0.080424 -0.324635 0.184394 29O 3py 0.073040 -0.350842 -0.040979 0.126127 -0.349324 0.392308 29O 1dz2 -0.001300 0.000114 -0.001043 -0.000505 -0.000745 -0.000642 29O 1dxz -0.001012 -0.000402 0.002441 -0.000310 0.000149 0.000868 29O 1dyz 0.000940 -0.000768 0.000754 0.001285 -0.001436 -0.001242 29O 1dx2y2 0.002005 0.000849 0.000575 0.000719 0.000890 -0.000850 29O 1dxy -0.001446 0.000485 0.000594 -0.000968 -0.000094 -0.001236 29O 2dz2 0.041352 0.205086 -0.022412 -0.052753 0.343537 -0.064610 29O 2dxz -0.019184 0.054901 0.050447 -0.011554 0.008481 -0.225282 29O 2dyz 0.064882 0.100243 0.051069 -0.031818 0.269893 0.211079 29O 2dx2y2 0.100974 0.071741 0.017007 0.044599 0.017977 -0.096828 29O 2dxy -0.132129 -0.216001 0.044916 -0.036333 -0.167797 0.373532 29O 1f0 -0.000396 -0.002638 0.000778 0.000587 -0.007972 0.003512 29O 1f+1 -0.000524 0.000297 -0.001000 -0.000344 0.001829 -0.002078 29O 1f-1 -0.002788 -0.006440 0.000136 0.001775 -0.017212 -0.003617 29O 1f+2 0.000417 0.001997 0.000462 -0.000861 0.007752 0.002499 29O 1f-2 0.000852 0.000649 0.001644 -0.001261 0.005942 0.015415 29O 1f+3 0.000593 0.002094 -0.001230 0.000492 0.001946 -0.007613 29O 1f-3 0.001186 0.001134 -0.000788 0.001445 -0.001094 -0.009224 30O 1s 0.000872 0.000474 -0.001822 0.002491 -0.001626 -0.002305 30O 2s 0.000474 0.002979 -0.005231 0.005275 -0.002417 -0.004162 30O 3s 0.055717 -0.048052 0.032435 0.028010 -0.034414 -0.044826 30O 4s -0.333599 0.182897 -0.060930 -0.328162 0.269194 0.346960 30O 5s -1.070472 0.498976 -0.748226 -0.529819 0.179434 0.834033 30O 1pz 0.005310 -0.010902 0.010589 -0.006362 -0.005971 -0.000854 30O 1px -0.026071 -0.016100 0.005925 -0.032702 0.003652 0.007090 30O 1py 0.020541 -0.005620 -0.000058 0.003190 -0.007318 0.006284 30O 2pz 0.158696 -0.082533 0.090931 0.161131 -0.041299 -0.125414 30O 2px -0.258200 0.115193 -0.088618 -0.176548 0.120558 0.150085 30O 2py -0.224874 0.067213 -0.077606 -0.164690 0.068633 0.167771 30O 3pz 0.105644 -0.133673 0.237773 -0.156507 0.019870 -0.365278 30O 3px -0.313624 0.306962 -0.184426 -0.203261 0.205367 0.389147 30O 3py -0.069895 0.213231 -0.079266 0.207954 -0.022618 0.428484 30O 1dz2 -0.002511 -0.000559 0.001711 0.000219 0.002914 0.000622 30O 1dxz -0.000431 -0.000707 -0.002065 -0.002195 -0.001806 0.002561 30O 1dyz 0.000214 0.001582 -0.000768 0.000537 -0.001062 0.002209 30O 1dx2y2 -0.000063 0.000467 0.000258 0.002298 -0.000190 0.000697 30O 1dxy 0.003847 0.000935 -0.000388 0.002200 -0.000346 -0.005725 30O 2dz2 -0.158161 -0.043265 0.127495 0.058554 0.108586 0.129837 30O 2dxz 0.005541 -0.083943 0.185096 0.048988 0.019200 -0.068805 30O 2dyz 0.137180 0.033669 -0.067671 -0.024411 -0.076402 -0.029208 30O 2dx2y2 -0.167823 -0.015122 0.067047 0.056636 0.049026 0.028284 30O 2dxy -0.100853 0.055038 -0.009228 -0.067030 0.016136 0.139311 30O 1f0 -0.005549 0.003553 -0.004178 -0.001741 0.000269 0.005692 30O 1f+1 0.000413 -0.000005 0.000104 -0.000082 -0.000997 0.001478 30O 1f-1 0.001295 0.000945 -0.000515 -0.000426 -0.001032 -0.000869 30O 1f+2 0.002530 -0.003806 0.003602 -0.000172 -0.000366 -0.001670 30O 1f-2 0.007624 -0.005696 0.002475 0.003220 -0.003984 -0.004498 30O 1f+3 0.000063 0.000679 -0.000780 0.000159 0.001808 0.001073 30O 1f-3 0.006350 -0.003555 0.003107 0.001767 -0.000921 -0.005243 31O 1s 0.000874 -0.000504 -0.001668 0.002415 0.001828 0.002148 31O 2s 0.000447 -0.003041 -0.004704 0.005316 0.003000 0.003507 31O 3s 0.056549 0.048822 0.027900 0.022118 0.032191 0.051414 31O 4s -0.337375 -0.185945 -0.049677 -0.295863 -0.270012 -0.367533 31O 5s -1.081363 -0.551647 -0.689206 -0.471420 -0.178108 -0.882700 31O 1pz -0.005399 -0.010571 -0.009639 0.007007 -0.004569 -0.002649 31O 1px 0.025273 -0.016558 -0.004024 0.033502 0.003936 0.007195 31O 1py -0.020759 -0.006830 0.000095 -0.002295 -0.008478 0.006614 31O 2pz -0.160642 -0.088870 -0.082615 -0.151504 -0.041433 -0.135021 31O 2px 0.260533 0.119136 0.080101 0.160891 0.117664 0.162896 31O 2py 0.226816 0.070979 0.069923 0.153109 0.067506 0.178485 31O 3pz -0.104286 -0.150013 -0.217470 0.178604 0.024920 -0.377233 31O 3px 0.322213 0.323456 0.157238 0.160708 0.213384 0.417051 31O 3py 0.070417 0.233805 0.050283 -0.233732 -0.010044 0.439105 31O 1dz2 -0.002517 0.000725 0.001603 0.000345 -0.002890 -0.000562 31O 1dxz -0.000399 0.000547 -0.002022 -0.002229 0.001773 -0.002717 31O 1dyz 0.000198 -0.001675 -0.000573 0.000607 0.000970 -0.002458 31O 1dx2y2 -0.000063 -0.000452 0.000371 0.002313 0.000139 -0.000715 31O 1dxy 0.003829 -0.000927 -0.000434 0.002087 0.000436 0.005928 31O 2dz2 -0.158577 0.057696 0.123504 0.064527 -0.104233 -0.137105 31O 2dxz 0.003718 0.095759 0.175860 0.043615 -0.023444 0.071234 31O 2dyz 0.137974 -0.041796 -0.063804 -0.026636 0.073284 0.035121 31O 2dx2y2 -0.169352 0.022612 0.067043 0.059500 -0.046620 -0.030221 31O 2dxy -0.101894 -0.056327 -0.003409 -0.060095 -0.018119 -0.145914 31O 1f0 0.005578 0.003710 0.003739 0.001381 0.000027 0.006016 31O 1f+1 -0.000382 0.000072 -0.000111 0.000090 -0.000959 0.001506 31O 1f-1 -0.001257 0.001065 0.000456 0.000437 -0.000965 -0.000947 31O 1f+2 -0.002581 -0.004045 -0.003294 0.000440 -0.000263 -0.001974 31O 1f-2 -0.007766 -0.005784 -0.001998 -0.002566 -0.003851 -0.005100 31O 1f+3 -0.000081 0.000662 0.000768 -0.000277 0.001717 0.001076 31O 1f-3 -0.006380 -0.003714 -0.002680 -0.001430 -0.000838 -0.005557 32O 1s 0.003009 -0.005963 -0.000025 0.000808 -0.008681 0.007764 32O 2s 0.007575 -0.015840 -0.000410 0.002146 -0.024523 0.020730 32O 3s -0.012066 0.042233 0.009472 -0.004903 0.098037 -0.055721 32O 4s -0.146641 0.248444 -0.040094 -0.027351 0.184487 -0.308041 32O 5s 0.524823 -1.200028 0.035637 0.070704 -1.473377 1.448630 32O 1pz -0.012708 0.013117 -0.006286 0.001902 0.046295 0.048142 32O 1px 0.032203 -0.018092 -0.011656 0.013136 -0.012629 0.036876 32O 1py 0.028025 -0.023569 -0.000259 0.011915 0.003320 0.008959 32O 2pz 0.033693 -0.076682 0.014902 -0.019657 -0.234842 -0.218465 32O 2px -0.032119 0.060314 0.011947 -0.016935 0.046419 -0.183859 32O 2py 0.030888 -0.041476 -0.017417 0.013385 -0.091136 0.072744 32O 3pz -0.029536 0.004888 0.176638 -0.040773 -0.133917 -0.281447 32O 3px 0.266478 -0.187811 0.051974 0.101232 -0.319089 0.209911 32O 3py -0.079736 -0.350036 0.051474 -0.092275 -0.360181 0.378712 32O 1dz2 -0.001305 -0.000132 -0.000980 -0.000512 0.000734 0.000668 32O 1dxz -0.000950 0.000394 0.002393 -0.000283 -0.000339 -0.000941 32O 1dyz 0.000923 0.000788 0.000711 0.001125 0.001383 0.001495 32O 1dx2y2 0.001984 -0.000855 0.000605 0.000714 -0.000950 0.000825 32O 1dxy -0.001425 -0.000473 0.000648 -0.000929 -0.000023 0.001104 32O 2dz2 0.034351 -0.204829 -0.021959 -0.025823 -0.332458 0.047788 32O 2dxz -0.020833 -0.053169 0.051270 -0.008589 -0.012941 0.230467 32O 2dyz 0.065971 -0.112197 0.052148 -0.013063 -0.281811 -0.231129 32O 2dx2y2 0.099649 -0.069667 0.019907 0.047619 -0.012275 0.124789 32O 2dxy -0.123842 0.211594 0.038359 -0.049309 0.167158 -0.362934 32O 1f0 0.000084 -0.002327 -0.000855 0.000035 -0.007033 0.002780 32O 1f+1 0.000584 0.000401 0.001120 0.000174 0.001892 -0.002279 32O 1f-1 0.002590 -0.006657 -0.000252 -0.000476 -0.017260 -0.005016 32O 1f+2 -0.000455 0.002334 -0.000312 0.000272 0.008259 0.003087 32O 1f-2 -0.000993 0.000794 -0.001640 0.000871 0.006037 0.015899 32O 1f+3 -0.000445 0.002066 0.001173 -0.000596 0.002175 -0.006746 32O 1f-3 -0.001064 0.001055 0.000785 -0.001365 -0.001211 -0.009686 33O 1s 0.000211 0.002067 0.003662 0.001638 0.002416 0.000470 33O 2s 0.000329 0.005416 0.011097 0.003745 0.003559 -0.000096 33O 3s -0.002562 -0.019621 -0.046754 -0.001117 0.054549 0.037710 33O 4s 0.051741 -0.006509 -0.013324 -0.092343 -0.385556 -0.253541 33O 5s -0.055541 0.427252 -0.170811 0.260788 -0.362487 -0.363834 33O 1pz 0.007328 0.000574 0.017784 -0.014142 -0.001251 -0.012589 33O 1px -0.009278 0.002316 0.040900 -0.002994 -0.036400 -0.046326 33O 1py -0.011442 -0.005644 0.047299 0.012992 -0.005625 -0.014147 33O 2pz 0.036882 0.076099 -0.064976 -0.003748 -0.119494 -0.119537 33O 2px -0.082409 -0.037824 0.081878 -0.007052 0.110889 0.089958 33O 2py 0.042792 0.006394 0.005379 -0.012712 -0.026458 -0.054297 33O 3pz -0.448408 0.137942 0.486597 0.039689 -0.360562 -0.214276 33O 3px 0.160708 -0.074511 -0.146844 -0.055781 0.553810 0.254162 33O 3py -0.124757 0.097372 0.274165 0.120990 -0.035861 -0.131393 33O 1dz2 0.005268 -0.001730 -0.001362 0.001008 0.002214 -0.000271 33O 1dxz -0.001936 0.001044 -0.001597 -0.000570 -0.001256 -0.000754 33O 1dyz 0.000415 0.001857 -0.002609 -0.000242 0.001234 0.001745 33O 1dx2y2 -0.002336 -0.000342 0.001689 -0.000041 0.000278 -0.000975 33O 1dxy 0.001466 -0.000151 0.001774 0.000002 -0.000431 -0.003407 33O 2dz2 0.217982 -0.097010 0.085288 -0.056324 -0.046728 -0.099253 33O 2dxz 0.106396 -0.074040 0.039676 -0.009121 0.037189 0.013541 33O 2dyz -0.108132 0.025349 -0.005656 0.022392 0.003323 0.066444 33O 2dx2y2 0.187793 -0.110339 0.003382 0.060004 -0.028042 0.047536 33O 2dxy -0.012504 -0.060278 -0.027783 -0.027893 0.005970 0.062121 33O 1f0 -0.000654 -0.001026 -0.000974 -0.000104 0.000943 0.002222 33O 1f+1 -0.000237 -0.003140 -0.002473 0.000468 0.003870 0.003559 33O 1f-1 0.000433 0.000418 -0.001917 -0.000361 0.000766 0.000219 33O 1f+2 -0.001045 0.003886 0.001698 0.001306 -0.004376 -0.003131 33O 1f-2 -0.000959 0.001520 -0.002255 0.000315 0.002351 0.002303 33O 1f+3 0.001705 0.000458 0.000803 0.003181 -0.000051 -0.001159 33O 1f-3 -0.000312 -0.000344 -0.002150 -0.000807 -0.000307 0.004612 34O 1s -0.001653 -0.002514 -0.000709 -0.002357 -0.002692 0.001919 34O 2s -0.005670 -0.007228 -0.002940 -0.006671 -0.006236 0.003878 34O 3s 0.035080 0.038368 0.027674 0.019325 -0.001740 0.020179 34O 4s -0.043788 -0.064120 -0.113131 0.081458 0.145748 -0.167189 34O 5s 0.283687 -0.362349 0.124917 -0.044969 -0.028166 -0.441859 34O 1pz -0.016131 -0.001412 -0.008206 -0.034157 -0.034293 -0.007325 34O 1px 0.026813 0.015908 -0.003090 0.019539 0.018357 0.031305 34O 1py 0.021293 -0.006877 0.003031 0.026018 0.009651 0.017794 34O 2pz 0.030175 0.004680 0.005810 -0.033559 -0.005736 0.007949 34O 2px 0.105278 -0.085938 -0.013723 0.095416 0.070887 -0.047045 34O 2py -0.015734 0.034894 0.005634 -0.019262 0.003303 0.039568 34O 3pz -0.389455 -0.084277 0.038928 -0.076129 -0.043036 0.019104 34O 3px -0.588926 -0.274919 -0.069371 -0.304219 0.045042 -0.718372 34O 3py 0.445661 0.164110 0.159048 0.272450 0.212593 0.153077 34O 1dz2 -0.000509 0.000091 0.000724 -0.000702 0.001116 -0.001047 34O 1dxz 0.000095 -0.000694 -0.001332 0.004274 -0.000516 -0.000346 34O 1dyz 0.000228 0.001666 0.001159 -0.002061 0.000544 -0.000806 34O 1dx2y2 -0.001949 0.000894 0.000706 -0.002070 -0.002345 -0.000340 34O 1dxy -0.003231 0.000410 0.000731 -0.002104 -0.001696 -0.004455 34O 2dz2 -0.079119 -0.105553 -0.150276 0.141122 -0.042726 -0.087866 34O 2dxz -0.135396 -0.055954 -0.039994 0.095109 -0.067394 -0.052208 34O 2dyz 0.037378 -0.021189 0.054274 -0.071850 -0.021262 0.033618 34O 2dx2y2 -0.055507 -0.044266 -0.037767 0.115482 0.007702 -0.116506 34O 2dxy -0.022874 0.052440 0.078159 0.021572 -0.000847 -0.022967 34O 1f0 -0.002901 0.001412 0.002362 -0.001500 0.000239 -0.001816 34O 1f+1 0.001771 0.004351 0.000939 -0.000797 -0.000018 0.001917 34O 1f-1 -0.001839 -0.002132 -0.002581 0.001709 0.000446 -0.001403 34O 1f+2 -0.000100 -0.001191 -0.003598 -0.000033 0.001171 -0.000991 34O 1f-2 -0.003501 -0.001359 0.000320 -0.001045 -0.002755 -0.000736 34O 1f+3 0.000803 0.005086 0.002034 0.001054 -0.000312 0.001987 34O 1f-3 -0.003153 -0.002811 -0.000108 -0.001682 -0.002257 -0.000690 35O 1s 0.002123 0.000002 -0.001160 0.000242 0.001461 0.002337 35O 2s 0.005314 0.000745 -0.001872 0.001096 0.001977 0.003758 35O 3s 0.001334 -0.019608 -0.045764 -0.007631 0.048851 0.049313 35O 4s -0.124953 0.084446 0.348064 0.034294 -0.322612 -0.376913 35O 5s -0.604151 0.342540 1.220877 -0.343210 -0.750498 -0.627893 35O 1pz 0.015871 0.004526 -0.036272 0.000721 -0.006674 -0.034488 35O 1px -0.012744 -0.016284 0.027833 0.004699 -0.011217 0.004635 35O 1py 0.008786 -0.002121 -0.013896 -0.008503 -0.021919 0.004669 35O 2pz -0.033008 0.004449 0.065950 -0.017755 -0.064181 -0.036534 35O 2px -0.149871 0.085521 0.363890 -0.018773 -0.188112 -0.176434 35O 2py -0.041372 0.034615 0.169084 -0.046788 -0.121145 -0.095272 35O 3pz 0.183782 -0.129394 -0.215879 0.085678 -0.221567 0.134799 35O 3px -0.111891 0.153763 0.232446 -0.083011 -0.510643 -0.506638 35O 3py -0.220566 -0.059190 -0.039052 0.041831 -0.255804 -0.279400 35O 1dz2 -0.000229 -0.001287 0.003314 0.000243 -0.001939 0.000593 35O 1dxz 0.002007 -0.000080 0.001155 0.000973 0.003745 0.001123 35O 1dyz 0.000072 -0.001066 0.002658 0.001379 0.000864 0.002351 35O 1dx2y2 0.001384 0.000394 -0.002952 -0.001914 0.000881 -0.002607 35O 1dxy 0.001021 0.000822 -0.000567 0.002478 0.003779 0.002938 35O 2dz2 0.054302 0.019502 -0.120941 -0.156288 0.026879 0.057552 35O 2dxz 0.084601 -0.052379 -0.004320 -0.039156 -0.151029 -0.055617 35O 2dyz 0.009738 -0.004008 0.004535 0.119613 0.136870 0.039106 35O 2dx2y2 0.060550 0.004087 0.042424 -0.168823 -0.111562 -0.031120 35O 2dxy -0.099771 0.012976 0.061904 -0.023264 -0.085126 -0.028399 35O 1f0 0.000615 -0.002255 0.001992 0.001887 0.002255 -0.000505 35O 1f+1 0.000793 -0.001111 -0.004655 0.000784 0.006475 0.002183 35O 1f-1 -0.001176 -0.001850 -0.002092 -0.001143 0.000006 0.004339 35O 1f+2 -0.001460 0.000793 0.000261 0.001019 -0.001125 -0.001528 35O 1f-2 -0.000021 0.001052 0.000807 0.000641 0.000227 0.000431 35O 1f+3 0.004834 -0.004161 -0.001120 0.003688 0.003276 -0.000300 35O 1f-3 0.001858 -0.000912 -0.008233 -0.001573 0.005161 0.005208 336 337 338 339 340 341 1.60015 1.60274 1.61013 1.61044 1.63597 1.63981 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s -0.000338 -0.000007 -0.000181 -0.000530 0.000185 0.000821 0Rh 2s 0.001334 0.000436 -0.000277 0.002301 -0.000416 -0.002472 0Rh 3s -0.001163 0.000229 -0.001234 -0.001701 0.000829 0.003302 0Rh 4s -0.006447 -0.002151 0.001645 -0.011331 0.001929 0.011644 0Rh 5s 0.007035 0.004828 -0.010802 0.016318 0.000684 -0.004062 0Rh 6s 0.009029 -0.005945 0.038878 -0.006728 -0.015873 -0.061846 0Rh 7s -0.046054 0.178472 -0.342915 0.140282 0.141437 0.624761 0Rh 8s 0.053954 0.271668 -0.219697 -0.027637 -0.005357 -0.108401 0Rh 1pz -0.002222 0.001809 -0.001035 -0.003238 0.000152 -0.001807 0Rh 1px 0.000849 -0.005325 0.002368 0.003742 -0.000732 -0.001827 0Rh 1py -0.001976 -0.006686 0.000434 0.001616 0.000669 0.002281 0Rh 2pz 0.007201 -0.006068 0.003865 0.010990 -0.000246 0.005354 0Rh 2px -0.003175 0.017921 -0.008076 -0.012351 0.002801 0.007283 0Rh 2py 0.006661 0.023269 -0.001631 -0.005397 -0.002394 -0.007491 0Rh 3pz 0.005785 -0.001188 -0.008194 -0.001690 -0.006022 0.015861 0Rh 3px 0.006522 0.000485 0.001937 -0.005877 -0.007200 -0.024019 0Rh 3py -0.000043 -0.016225 0.003855 -0.000733 0.002784 -0.004234 0Rh 4pz -0.064334 0.044777 0.011439 -0.058036 0.028780 -0.097278 0Rh 4px -0.006336 -0.109216 0.041023 0.100243 0.013275 0.053917 0Rh 4py -0.039296 -0.067814 -0.007914 0.032915 0.003703 0.061287 0Rh 5pz 0.111533 -0.097665 -0.037924 0.089340 -0.082831 0.192326 0Rh 5px 0.016317 0.188151 -0.072410 -0.191788 -0.040340 -0.119017 0Rh 5py 0.061366 0.056186 0.029726 -0.041920 0.000984 -0.100048 0Rh 6pz -0.496710 0.720191 0.097574 -0.169920 1.149041 -0.851282 0Rh 6px -0.170801 -0.947379 0.498348 0.789901 0.449884 0.391525 0Rh 6py -0.003272 1.011737 -0.335070 -0.106353 -0.354476 -0.032018 0Rh 1dz2 -0.003450 -0.003006 -0.000086 0.005572 0.016016 0.003128 0Rh 1dxz 0.004136 0.000858 -0.003822 0.000666 0.009053 0.003031 0Rh 1dyz 0.008725 -0.005341 -0.007587 -0.003585 -0.011451 0.024295 0Rh 1dx2y2 -0.003407 -0.003581 -0.001711 -0.003699 0.014700 0.013082 0Rh 1dxy -0.000802 0.000544 -0.005574 -0.001110 -0.001550 0.007846 0Rh 2dz2 0.001827 0.000475 -0.000316 -0.000895 -0.003728 -0.000915 0Rh 2dxz -0.000734 -0.000480 0.000660 -0.000260 -0.002505 0.000492 0Rh 2dyz 0.001838 0.000400 0.000335 -0.000846 0.001143 -0.003313 0Rh 2dx2y2 0.001332 0.000504 -0.000001 -0.000463 -0.003268 -0.001733 0Rh 2dxy 0.000778 0.000529 0.000452 -0.000089 -0.000391 -0.001516 0Rh 3dz2 0.000200 0.004995 0.001560 -0.009273 -0.021963 -0.003381 0Rh 3dxz -0.006520 0.000110 0.006127 -0.000561 -0.010679 -0.009226 0Rh 3dyz -0.028483 0.010750 0.016336 0.012089 0.022274 -0.042984 0Rh 3dx2y2 0.002284 0.006216 0.003996 0.010753 -0.020835 -0.023499 0Rh 3dxy -0.001515 -0.003631 0.011117 0.003055 0.005361 -0.011940 0Rh 4dz2 0.028963 0.009812 -0.004342 -0.016792 -0.062586 -0.016120 0Rh 4dxz -0.014324 -0.008037 0.013081 -0.002363 -0.042435 0.002021 0Rh 4dyz 0.018537 0.011161 0.012743 -0.008154 0.023924 -0.068219 0Rh 4dx2y2 0.020534 0.009862 0.002290 -0.003957 -0.055226 -0.033523 0Rh 4dxy 0.012037 0.007128 0.012607 -0.000885 -0.003969 -0.027899 0Rh 5dz2 -0.104885 -0.057832 0.015587 0.072461 0.205118 0.071706 0Rh 5dxz 0.069714 0.021802 -0.059874 0.013045 0.173698 0.020490 0Rh 5dyz -0.047691 -0.055129 -0.088019 0.013350 -0.087067 0.299690 0Rh 5dx2y2 -0.069141 -0.008763 -0.028005 -0.017049 0.194213 0.119986 0Rh 5dxy -0.043411 -0.023014 -0.079544 -0.011635 0.007104 0.114517 0Rh 1f0 0.023298 -0.003265 -0.007351 0.002398 -0.083279 -0.016430 0Rh 1f+1 -0.032436 0.000549 0.027506 0.008836 -0.042939 0.005653 0Rh 1f-1 -0.000508 -0.020955 -0.008425 -0.003912 0.017103 -0.008812 0Rh 1f+2 0.030796 0.029372 -0.023464 -0.010408 0.024837 0.045627 0Rh 1f-2 -0.038612 0.014529 0.036448 0.030484 0.013965 0.040198 0Rh 1f+3 -0.010995 0.017836 -0.010165 -0.017738 -0.043975 0.006280 0Rh 1f-3 0.013263 -0.054726 -0.001946 -0.014785 -0.000941 0.017749 1Rh 1s -0.000233 -0.000005 0.000444 -0.000252 0.000013 0.000845 1Rh 2s 0.000900 -0.000394 -0.001204 0.001767 -0.000119 -0.002568 1Rh 3s -0.000815 -0.000270 0.001871 -0.000398 0.000005 0.003383 1Rh 4s -0.004376 0.001952 0.005758 -0.008898 0.000567 0.012104 1Rh 5s 0.005062 -0.004657 -0.002811 0.018406 -0.000786 -0.004487 1Rh 6s 0.004036 0.006501 -0.020575 -0.030904 -0.000997 -0.063106 1Rh 7s -0.052069 -0.184824 0.130501 0.310471 0.024862 0.632195 1Rh 8s 0.015882 -0.268031 0.198718 0.108793 -0.019771 -0.109435 1Rh 1pz 0.001954 0.001828 -0.002955 0.001581 0.000133 0.001969 1Rh 1px -0.001890 -0.005382 0.004502 -0.001694 -0.000614 0.001863 1Rh 1py 0.002088 -0.006607 0.001479 -0.000958 0.000446 -0.002223 1Rh 2pz -0.006231 -0.006126 0.010266 -0.005118 -0.000065 -0.005904 1Rh 2px 0.006671 0.018130 -0.015007 0.005466 0.002064 -0.007413 1Rh 2py -0.007054 0.023005 -0.005064 0.003092 -0.001657 0.007287 1Rh 3pz -0.007172 -0.001302 -0.006678 -0.004560 -0.008499 -0.015755 1Rh 3px -0.006273 0.000156 -0.003799 0.005351 0.000063 0.024215 1Rh 3py 0.000447 -0.016283 0.002101 0.002905 0.003160 0.004418 1Rh 4pz 0.064442 0.045548 -0.032811 0.049522 0.037757 0.099961 1Rh 4px -0.015000 -0.109126 0.107213 -0.055680 -0.011780 -0.053959 1Rh 4py 0.039485 -0.066010 0.018771 -0.030045 -0.002393 -0.060793 1Rh 5pz -0.115546 -0.099311 0.036793 -0.091178 -0.100951 -0.195524 1Rh 5px 0.016434 0.187349 -0.199427 0.107023 0.010684 0.119357 1Rh 5py -0.058395 0.053343 -0.011189 0.051853 0.011177 0.099794 1Rh 6pz 0.620203 0.741506 -0.076600 0.240444 1.218167 0.825071 1Rh 6px 0.113826 -0.933991 0.947507 -0.287609 0.276403 -0.395424 1Rh 6py -0.092880 1.006444 -0.299623 -0.163298 -0.302133 0.001381 1Rh 1dz2 -0.003833 0.002661 -0.003792 0.004113 -0.016559 0.004045 1Rh 1dxz 0.003123 -0.000716 0.002657 0.002614 -0.009988 0.003850 1Rh 1dyz 0.007615 0.005430 0.007937 0.002056 0.011125 0.023582 1Rh 1dx2y2 -0.002955 0.003311 0.003327 -0.001470 -0.013359 0.013921 1Rh 1dxy 0.000799 -0.000558 0.004806 0.003514 0.001533 0.008357 1Rh 2dz2 0.002037 -0.000385 0.000811 -0.000380 0.003829 -0.001154 1Rh 2dxz -0.000450 0.000464 -0.000355 -0.000512 0.002658 0.000388 1Rh 2dyz 0.001931 -0.000327 0.000294 -0.000836 -0.001069 -0.003216 1Rh 2dx2y2 0.000943 -0.000441 0.000426 -0.000500 0.003029 -0.001944 1Rh 2dxy 0.000571 -0.000494 -0.000236 -0.000461 0.000252 -0.001602 1Rh 3dz2 0.000173 -0.004576 0.005446 -0.008062 0.022811 -0.004535 1Rh 3dxz -0.005397 -0.000373 -0.004624 -0.004027 0.012242 -0.010723 1Rh 3dyz -0.026290 -0.011276 -0.019894 -0.001184 -0.021821 -0.041706 1Rh 3dx2y2 0.002948 -0.005850 -0.009683 0.005698 0.018682 -0.024581 1Rh 3dxy -0.004373 0.003511 -0.010294 -0.006197 -0.004721 -0.012782 1Rh 4dz2 0.032482 -0.008216 0.014213 -0.008358 0.064271 -0.020050 1Rh 4dxz -0.009006 0.007644 -0.008967 -0.008216 0.045044 -0.000053 1Rh 4dyz 0.021013 -0.010199 -0.004230 -0.013972 -0.022672 -0.066383 1Rh 4dx2y2 0.014116 -0.008810 0.002991 -0.007035 0.051261 -0.037020 1Rh 4dxy 0.007546 -0.006619 -0.008160 -0.011031 0.002175 -0.029525 1Rh 5dz2 -0.120242 0.051555 -0.059161 0.038086 -0.209605 0.085264 1Rh 5dxz 0.046590 -0.019664 0.038935 0.039975 -0.180810 0.028314 1Rh 5dyz -0.060688 0.052083 0.056832 0.065098 0.082391 0.293317 1Rh 5dx2y2 -0.042321 0.005568 0.024574 0.016649 -0.184406 0.131791 1Rh 5dxy -0.024854 0.021212 0.064990 0.052876 -0.001923 0.121361 1Rh 1f0 -0.025328 -0.003948 -0.004138 -0.007369 -0.078160 0.017420 1Rh 1f+1 0.028341 0.001296 0.027064 0.010906 -0.046685 -0.006192 1Rh 1f-1 0.004249 -0.020775 -0.008755 -0.001523 0.016370 0.008222 1Rh 1f+2 -0.026724 0.029029 -0.024206 -0.005402 0.018881 -0.048614 1Rh 1f-2 0.042093 0.015867 0.047190 0.003824 0.011524 -0.038727 1Rh 1f+3 0.009447 0.018039 -0.018461 0.006357 -0.050831 -0.004841 1Rh 1f-3 -0.007655 -0.054855 -0.010810 0.011251 -0.006011 -0.015013 2C 1s -0.010223 -0.011839 -0.001876 -0.007869 0.001708 0.008045 2C 2s -0.031076 -0.035444 -0.005645 -0.024139 0.005050 0.022444 2C 3s 0.310070 0.393314 0.031490 0.267302 -0.037395 -0.245930 2C 4s -0.596159 -0.942910 0.067385 -0.654350 0.022178 0.420546 2C 5s 2.657435 2.941111 0.848678 1.788173 -0.098958 -3.386145 2C 1pz 0.003658 -0.096687 -0.033678 -0.052716 0.093907 0.136667 2C 1px 0.501466 0.144520 0.333839 0.394582 -0.182757 -0.098306 2C 1py -0.201380 -0.097570 -0.095070 -0.145397 -0.118200 0.110759 2C 2pz 0.119328 0.415850 0.236913 0.163941 -0.347256 -0.736665 2C 2px -1.684502 -0.548003 -1.162224 -1.379238 0.635813 0.340522 2C 2py 0.735478 0.383285 0.363954 0.481953 0.359093 -0.572435 2C 3pz 0.534667 0.444344 0.148519 0.296897 0.043095 -0.530313 2C 3px 0.911248 0.268315 0.572596 0.738883 -0.302611 -0.183742 2C 3py 0.016252 0.243303 -0.018736 -0.050608 -0.059629 -0.341057 2C 1dz2 0.003851 0.005859 -0.001059 0.010655 -0.004396 0.001633 2C 1dxz 0.038310 0.017957 0.024691 0.035536 -0.005680 -0.005241 2C 1dyz -0.017537 -0.008452 -0.006787 -0.017725 0.017836 0.004910 2C 1dx2y2 -0.012980 -0.003692 -0.014598 -0.011819 0.014970 -0.001451 2C 1dxy -0.003871 0.002798 -0.000924 -0.000755 -0.017804 -0.000429 2C 2dz2 0.065000 0.096749 0.074273 0.041388 0.070848 -0.187858 2C 2dxz 0.587703 0.211084 0.335868 0.411022 -0.059115 -0.274070 2C 2dyz -0.269400 0.030130 -0.160587 -0.191408 0.102517 -0.171611 2C 2dx2y2 -0.277060 -0.178864 -0.216466 -0.260450 0.258269 0.207361 2C 2dxy -0.133670 -0.006028 -0.072748 -0.076509 -0.182472 -0.030014 2C 1f0 -0.015617 -0.008000 -0.013932 -0.010940 0.025453 0.018687 2C 1f+1 -0.024278 -0.009361 -0.018867 -0.014246 -0.013459 0.019129 2C 1f-1 0.001515 -0.014342 0.014355 0.002222 -0.014845 0.019736 2C 1f+2 0.055720 0.047750 0.021315 0.051070 -0.023049 -0.045453 2C 1f-2 0.022573 -0.017888 0.019396 0.012580 -0.002804 0.019404 2C 1f+3 0.028200 0.021987 0.012455 0.019263 0.014627 -0.027124 2C 1f-3 -0.050124 -0.020032 -0.028496 -0.041677 0.023316 0.016140 3C 1s 0.002868 0.013279 -0.001495 -0.014938 0.001246 -0.004381 3C 2s 0.009187 0.038776 -0.004700 -0.045833 0.003372 -0.013825 3C 3s -0.073146 -0.439320 0.038833 0.498264 -0.031257 0.179954 3C 4s 0.049694 1.008286 -0.055822 -1.166006 0.056228 -0.363451 3C 5s -1.067359 -3.826792 0.369455 3.520772 -0.263169 2.776170 3C 1pz 0.215591 0.465871 -0.023094 -0.500975 0.136404 -0.172504 3C 1px -0.165189 -0.239983 0.021439 0.242902 0.079633 0.034587 3C 1py 0.099061 -0.043372 -0.000596 -0.098379 0.162123 0.023582 3C 2pz -0.760354 -1.669960 0.082453 1.728967 -0.474269 0.671608 3C 2px 0.568714 0.790271 0.004996 -0.815835 -0.293986 -0.147672 3C 2py -0.257543 0.295037 -0.028864 0.310754 -0.492069 -0.124580 3C 3pz 0.219334 0.208469 0.003275 -0.451275 0.212670 0.134063 3C 3px -0.344335 -0.614919 0.031266 0.615526 -0.003097 0.206156 3C 3py 0.372443 0.782902 -0.070859 -0.867060 0.193585 -0.590666 3C 1dz2 -0.001279 -0.002215 0.001314 -0.005143 -0.013664 -0.005193 3C 1dxz -0.010022 -0.018710 -0.000123 0.011976 0.016843 0.006575 3C 1dyz -0.014606 -0.022934 -0.001437 0.036808 -0.010801 0.007555 3C 1dx2y2 0.008456 0.018807 -0.004083 -0.033428 0.008909 -0.009905 3C 1dxy 0.009975 0.015914 0.003035 -0.017151 0.009518 -0.011327 3C 2dz2 -0.050270 -0.017674 -0.017323 0.096502 -0.091695 0.039645 3C 2dxz -0.115345 -0.355006 0.033660 0.275207 0.208809 0.117071 3C 2dyz -0.309382 -0.276142 0.037019 0.480241 -0.141993 0.118247 3C 2dx2y2 0.165446 0.472275 -0.006066 -0.389881 0.181561 -0.190882 3C 2dxy 0.075274 0.321279 -0.054775 -0.284253 0.074310 -0.124349 3C 1f0 0.020452 0.033338 -0.004826 -0.042053 0.028538 -0.019656 3C 1f+1 0.022586 0.046184 -0.003693 -0.058070 -0.004833 -0.025830 3C 1f-1 -0.014291 -0.004883 0.000587 0.035365 -0.016799 0.006809 3C 1f+2 0.005174 -0.047325 0.002390 0.030468 -0.000354 0.019872 3C 1f-2 -0.007090 -0.053885 -0.001059 0.048716 0.006281 0.026139 3C 1f+3 0.004216 0.018244 0.004663 -0.015042 0.026667 -0.011617 3C 1f-3 -0.024300 -0.047689 0.006961 0.041623 0.002822 0.020512 4C 1s -0.005407 0.009490 -0.004978 -0.000243 0.003191 -0.012173 4C 2s -0.015030 0.031239 -0.015284 0.000913 0.008581 -0.040226 4C 3s 0.053791 -0.433762 0.164993 -0.062219 -0.043491 0.615133 4C 4s -0.034545 1.235985 -0.632739 0.042584 -0.010068 -1.928613 4C 5s -1.145508 -1.011642 -0.632176 -1.437105 0.473907 0.243644 4C 1pz 0.069893 0.107970 -0.016284 0.019819 -0.022421 -0.045621 4C 1px -0.028631 0.026477 -0.030334 -0.021364 -0.004675 -0.004980 4C 1py 0.163519 -0.068073 0.088161 0.093487 -0.017081 -0.049663 4C 2pz -0.182677 0.164633 0.152008 0.039920 -0.005788 -0.652220 4C 2px 0.233528 -0.109889 -0.383237 -0.089896 -0.059640 0.017753 4C 2py -0.270061 0.205075 -0.198266 -0.246824 0.032949 -0.348205 4C 3pz 1.623515 1.396120 0.495282 0.710694 -0.003569 -2.098979 4C 3px 0.312263 0.374033 0.090517 0.104846 -0.075715 -0.499384 4C 3py 1.221474 0.883527 0.449122 0.565605 -0.048894 -1.442048 4C 1dz2 -0.000974 -0.011947 0.012753 -0.010807 0.011737 -0.000219 4C 1dxz -0.010466 -0.014120 0.005395 -0.014533 0.018996 0.007648 4C 1dyz 0.003322 0.015469 0.000966 0.010027 0.004021 -0.004496 4C 1dx2y2 -0.004220 -0.007228 0.002701 -0.012695 0.011158 -0.009930 4C 1dxy -0.002900 0.001821 -0.004748 0.002785 -0.011475 -0.006359 4C 2dz2 -0.115966 -0.126615 0.100415 0.015730 0.077651 0.346376 4C 2dxz -0.243202 -0.361270 -0.348405 -0.240765 -0.026260 0.477489 4C 2dyz -0.005071 -0.029100 -0.022646 0.088027 -0.113629 0.192419 4C 2dx2y2 0.211351 0.226258 0.089724 0.043929 -0.108921 -0.607587 4C 2dxy 0.072046 -0.038934 -0.141416 -0.081619 0.173729 -0.159135 4C 1f0 -0.007709 -0.005860 -0.012638 -0.000200 -0.015332 0.013942 4C 1f+1 0.008453 -0.004998 0.010086 0.009340 0.001053 0.028463 4C 1f-1 -0.004219 0.003654 0.006604 -0.000674 0.014607 -0.011222 4C 1f+2 0.005111 0.022728 0.007811 0.013634 -0.000938 -0.021692 4C 1f-2 0.013603 0.008003 0.006141 0.007056 -0.004917 -0.007564 4C 1f+3 0.001269 0.015069 0.011382 0.014198 -0.021836 -0.009535 4C 1f-3 -0.009339 -0.017672 0.016329 -0.005678 0.009225 0.021210 5C 1s 0.006887 -0.011361 -0.000182 0.000759 0.003482 0.009015 5C 2s 0.021338 -0.038184 -0.000737 0.004794 0.009415 0.028558 5C 3s -0.201312 0.543217 0.014235 -0.187360 -0.024040 -0.452653 5C 4s 0.534392 -1.450139 -0.093238 0.511307 -0.167850 1.156291 5C 5s 0.251600 1.744184 -0.145123 -1.870740 0.527709 -0.164000 5C 1pz -0.100543 -0.213077 -0.022704 0.148489 -0.030225 0.024067 5C 1px -0.029947 -0.045223 0.021467 0.067522 -0.000443 0.016139 5C 1py 0.018252 -0.029622 0.006258 -0.035424 -0.034003 0.021850 5C 2pz 0.198892 0.011408 -0.061055 -0.286763 -0.003924 0.049272 5C 2px 0.266877 0.056053 0.293401 -0.138365 0.027088 0.202132 5C 2py -0.161714 0.508436 0.052664 -0.046794 0.098116 -0.278704 5C 3pz -0.645648 -1.178682 0.086471 1.149471 -0.100261 1.228242 5C 3px -0.409400 -0.867682 0.082148 0.650288 0.071184 0.947403 5C 3py 0.923849 1.739108 -0.116762 -1.674479 0.028077 -2.012544 5C 1dz2 0.000878 0.009342 -0.000442 0.016930 0.001949 -0.000476 5C 1dxz -0.000471 0.006121 0.001403 0.008279 0.019111 0.002124 5C 1dyz -0.000910 0.009168 -0.001437 -0.019239 -0.010460 -0.017273 5C 1dx2y2 0.006264 0.007138 -0.001827 0.013978 -0.005760 -0.006131 5C 1dxy 0.000435 0.001157 -0.003011 0.005528 0.002565 -0.004552 5C 2dz2 0.007274 0.127436 -0.068977 -0.034115 0.103971 -0.187790 5C 2dxz 0.114712 0.380093 0.076082 -0.161092 -0.155070 -0.318774 5C 2dyz 0.098780 0.066350 0.103311 -0.163395 0.061377 -0.131908 5C 2dx2y2 -0.016334 -0.402598 0.151588 0.277747 -0.002537 0.420501 5C 2dxy -0.173951 -0.336803 -0.174947 0.129680 -0.135055 0.162995 5C 1f0 -0.001906 0.024664 0.010309 -0.008984 -0.020694 -0.007512 5C 1f+1 -0.007353 0.010635 -0.002871 -0.014228 0.003922 -0.016719 5C 1f-1 0.001429 -0.001738 0.000880 0.013710 0.007369 0.008141 5C 1f+2 -0.005024 0.006017 -0.009367 0.010082 0.001168 0.002888 5C 1f-2 -0.000687 -0.007761 -0.007766 0.006866 -0.018229 0.004742 5C 1f+3 -0.011818 0.002350 -0.010812 -0.000587 -0.003305 -0.021005 5C 1f-3 -0.001661 -0.035946 -0.003929 0.008955 -0.014932 0.022346 6C 1s 0.005194 0.011323 -0.000173 0.000241 -0.003820 0.008919 6C 2s 0.015729 0.038037 -0.001969 0.002593 -0.010679 0.028315 6C 3s -0.114415 -0.539749 0.103842 -0.125346 0.043058 -0.453051 6C 4s 0.242282 1.443140 -0.225589 0.360100 0.067290 1.164616 6C 5s 0.386199 -1.717058 1.354719 -1.272273 -0.555950 -0.177171 6C 1pz 0.100607 -0.207042 0.082549 -0.127711 -0.028775 -0.020732 6C 1px 0.032931 -0.043427 0.059593 -0.035874 0.001924 -0.014686 6C 1py -0.028126 -0.028614 -0.016916 0.027372 -0.040926 -0.019214 6C 2pz -0.155335 0.003998 -0.247606 0.181114 0.031142 -0.052925 6C 2px -0.276949 0.042492 0.136782 0.304982 0.040454 -0.205915 6C 2py 0.104988 0.504136 0.021382 0.061291 0.051804 0.273942 6C 3pz 0.751153 -1.146946 0.826331 -0.771254 -0.096114 -1.240151 6C 3px 0.470345 -0.845399 0.499404 -0.416379 0.052370 -0.960095 6C 3py -1.119924 1.698190 -1.194742 1.117695 0.015398 2.032754 6C 1dz2 0.000641 -0.009543 -0.010706 0.012668 -0.001166 -0.000667 6C 1dxz -0.000263 -0.006345 -0.006498 0.005309 -0.018519 0.002573 6C 1dyz 0.000795 -0.008872 0.013823 -0.012836 0.009616 -0.017481 6C 1dx2y2 0.004262 -0.007229 -0.006966 0.010809 0.004044 -0.005580 6C 1dxy -0.000477 -0.001075 -0.001132 0.005969 -0.004068 -0.003781 6C 2dz2 0.018839 -0.127568 0.074161 0.024502 -0.094017 -0.182070 6C 2dxz 0.152746 -0.374059 0.046714 -0.166581 0.169190 -0.331917 6C 2dyz 0.106433 -0.060897 0.034819 -0.188588 -0.085776 -0.135231 6C 2dx2y2 -0.063967 0.398444 -0.289535 0.092224 -0.035724 0.419303 6C 2dxy -0.209946 0.327608 0.048493 0.211483 0.122003 0.156825 6C 1f0 -0.001406 0.024376 0.002331 0.013143 -0.022087 0.007962 6C 1f+1 0.004510 0.010593 -0.011368 0.007664 0.003095 0.016274 6C 1f-1 -0.000628 -0.001656 0.009743 -0.009353 0.007015 -0.008862 6C 1f+2 0.005658 0.005991 -0.000324 -0.013662 -0.000180 -0.004052 6C 1f-2 0.003793 -0.007361 -0.001960 -0.009325 -0.017923 -0.004462 6C 1f+3 0.010196 0.002524 -0.008223 -0.007601 -0.003248 0.021761 6C 1f-3 0.005697 -0.035754 0.003093 -0.008494 -0.014154 -0.022358 7C 1s -0.006565 -0.009374 0.004304 0.002554 -0.003475 -0.011657 7C 2s -0.018784 -0.030816 0.012196 0.008962 -0.009677 -0.038550 7C 3s 0.093610 0.425767 -0.098738 -0.135033 0.058340 0.593344 7C 4s -0.118552 -1.212540 0.495925 0.407789 -0.076110 -1.855897 7C 5s -1.049653 0.971388 1.422873 -0.580143 -0.483177 0.247177 7C 1pz -0.083701 0.106206 0.003502 -0.026777 -0.014621 0.045320 7C 1px 0.023047 0.027665 -0.035664 -0.005933 -0.004986 0.006333 7C 1py -0.137014 -0.073575 0.122359 -0.002569 -0.012460 0.046127 7C 2pz 0.225247 0.166383 0.116483 0.082118 0.019163 0.642235 7C 2px -0.207889 -0.124031 -0.357598 -0.182400 -0.029062 -0.032891 7C 2py 0.248370 0.209809 -0.316020 0.045151 0.060498 0.347689 7C 3pz -1.535113 1.346823 0.834796 -0.130476 -0.048817 2.057468 7C 3px -0.314744 0.361356 0.132215 -0.011189 -0.054465 0.491526 7C 3py -1.145797 0.851720 0.702502 -0.072890 -0.072686 1.425152 7C 1dz2 -0.001958 0.012048 -0.002798 -0.016933 -0.010745 -0.001000 7C 1dxz -0.010443 0.013943 0.005353 -0.014242 -0.017801 0.007643 7C 1dyz 0.002966 -0.015355 -0.007227 0.006337 -0.002513 -0.003910 7C 1dx2y2 -0.004317 0.007282 0.006464 -0.011310 -0.012395 -0.009586 7C 1dxy -0.003458 -0.001821 0.001995 0.005098 0.010939 -0.006581 7C 2dz2 -0.093211 0.119856 -0.099355 -0.047549 -0.058344 0.337857 7C 2dxz -0.241611 0.355365 0.416558 0.060039 0.034293 0.471581 7C 2dyz 0.003378 0.027372 -0.047505 0.083184 0.138845 0.185390 7C 2dx2y2 0.190455 -0.218639 -0.086914 -0.038040 0.094922 -0.607075 7C 2dxy 0.055673 0.045509 0.166416 0.029200 -0.178729 -0.140264 7C 1f0 0.007233 -0.005608 -0.009838 -0.008768 -0.015593 -0.013680 7C 1f+1 -0.010091 -0.004697 0.014542 -0.000681 0.000546 -0.028305 7C 1f-1 0.005584 0.003684 0.004047 0.005471 0.015731 0.010372 7C 1f+2 -0.005198 0.022462 0.014713 -0.004535 -0.001552 0.020907 7C 1f-2 -0.012701 0.007528 0.009266 -0.000547 -0.004275 0.008063 7C 1f+3 -0.001691 0.015381 0.018181 -0.002724 -0.022606 0.010479 7C 1f-3 0.008519 -0.017142 0.009189 0.014668 0.008015 -0.019871 8C 1s 0.004660 -0.013092 0.010816 -0.009690 -0.001053 -0.004577 8C 2s 0.014478 -0.038223 0.033321 -0.029684 -0.003115 -0.014445 8C 3s -0.133151 0.432885 -0.354274 0.329723 0.033221 0.185741 8C 4s 0.196740 -0.993551 0.805743 -0.790454 -0.080989 -0.374754 8C 5s -1.495393 3.757146 -2.590924 2.272674 0.228569 2.811929 8C 1pz -0.235696 0.451923 -0.352983 0.353353 0.144202 0.169606 8C 1px 0.167316 -0.243320 0.188220 -0.176543 0.069722 -0.051007 8C 1py -0.089415 -0.050939 -0.064303 0.069957 0.170311 -0.029664 8C 2pz 0.840559 -1.621618 1.215274 -1.216847 -0.482395 -0.663031 8C 2px -0.575847 0.800322 -0.577850 0.644269 -0.244542 0.205487 8C 2py 0.211088 0.318947 0.185298 -0.241186 -0.550440 0.147142 8C 3pz -0.190861 0.194783 -0.304806 0.345785 0.233144 -0.137433 8C 3px 0.372330 -0.614473 0.449114 -0.446713 -0.012317 -0.226029 8C 3py -0.438318 0.755085 -0.624414 0.575924 0.199722 0.590301 8C 1dz2 -0.001107 0.002510 0.002162 -0.004499 0.013450 -0.005667 8C 1dxz -0.010000 0.018633 -0.008524 0.009395 -0.015628 0.008284 8C 1dyz -0.015921 0.022282 -0.023484 0.028203 0.011150 0.008088 8C 1dx2y2 0.009365 -0.017946 0.025242 -0.021699 -0.010257 -0.009444 8C 1dxy 0.010499 -0.015704 0.009863 -0.015012 -0.011121 -0.011120 8C 2dz2 -0.052632 0.017967 -0.054461 0.084463 0.098385 0.036973 8C 2dxz -0.128887 0.354185 -0.211566 0.184864 -0.213826 0.137165 8C 2dyz -0.305747 0.266568 -0.356766 0.334980 0.170641 0.123115 8C 2dx2y2 0.192999 -0.458377 0.261297 -0.279481 -0.171331 -0.182681 8C 2dxy 0.099905 -0.320712 0.232835 -0.175442 -0.064055 -0.122887 8C 1f0 -0.022014 0.032706 -0.032117 0.027973 0.029426 0.019156 8C 1f+1 -0.024882 0.044265 -0.041280 0.040084 -0.003893 0.026859 8C 1f-1 0.014260 -0.004254 0.024201 -0.025776 -0.018148 -0.006196 8C 1f+2 0.001014 -0.046776 0.021564 -0.019772 0.001297 -0.019459 8C 1f-2 0.012863 -0.053124 0.031056 -0.035578 0.007304 -0.026927 8C 1f+3 -0.006728 0.017390 -0.006159 0.013410 0.026005 0.009769 8C 1f-3 0.025369 -0.047763 0.034129 -0.027072 0.001965 -0.022375 9C 1s -0.009774 0.011431 0.006398 -0.004171 -0.001222 0.007873 9C 2s -0.029867 0.034217 0.019615 -0.012939 -0.003824 0.021958 9C 3s 0.293904 -0.380206 -0.194760 0.162974 0.028684 -0.239353 9C 4s -0.553278 0.914398 0.373220 -0.494208 -0.016182 0.402130 9C 5s 2.460065 -2.851160 -1.780607 0.629627 0.096744 -3.327268 9C 1pz 0.003408 -0.099289 -0.068710 0.013918 0.094350 -0.144337 9C 1px -0.500357 0.134063 0.522343 -0.062495 -0.188526 0.105575 9C 1py 0.165048 -0.085362 -0.148731 0.033863 -0.125791 -0.095707 9C 2pz -0.138656 0.421403 0.307373 0.046701 -0.323387 0.764153 9C 2px 1.685603 -0.514059 -1.822969 0.222277 0.659758 -0.367956 9C 2py -0.610694 0.340759 0.523043 -0.078416 0.400842 0.518559 9C 3pz -0.470507 0.422115 0.283465 -0.093368 0.041480 0.508601 9C 3px -0.899346 0.247537 0.936519 -0.149112 -0.321042 0.191419 9C 3py -0.050234 0.249432 -0.019833 0.026904 -0.069415 0.348835 9C 1dz2 0.002424 -0.005664 -0.005563 0.008238 0.005435 0.002177 9C 1dxz 0.037934 -0.017096 -0.042630 0.009170 0.006564 -0.005025 9C 1dyz -0.017130 0.007943 0.016498 -0.008295 -0.017254 0.005084 9C 1dx2y2 -0.013283 0.003581 0.019554 0.001295 -0.016338 0.000080 9C 1dxy -0.002673 -0.003085 0.000868 0.000371 0.017653 -0.001776 9C 2dz2 0.042964 -0.089045 -0.068982 -0.025355 -0.086296 -0.178235 9C 2dxz 0.563566 -0.194827 -0.526835 0.065614 0.056933 -0.269665 9C 2dyz -0.273498 -0.035776 0.254246 -0.035294 -0.127741 -0.166021 9C 2dx2y2 -0.276424 0.175079 0.339111 -0.042169 -0.264770 0.222224 9C 2dxy -0.120890 0.000702 0.102810 -0.005644 0.175340 -0.043741 9C 1f0 0.016129 -0.007917 -0.019175 -0.001772 0.025919 -0.021011 9C 1f+1 0.022969 -0.008759 -0.023993 -0.002861 -0.012973 -0.018607 9C 1f-1 -0.003305 -0.013446 0.012854 0.006787 -0.016746 -0.017864 9C 1f+2 -0.052061 0.046403 0.048540 -0.021546 -0.022122 0.045497 9C 1f-2 -0.024213 -0.017567 0.024373 0.002815 -0.004657 -0.018424 9C 1f+3 -0.026372 0.020730 0.022215 -0.004740 0.015109 0.025360 9C 1f-3 0.049007 -0.018052 -0.048972 0.010931 0.024709 -0.015435 10H 1s -0.119844 -0.071404 -0.084835 -0.111262 0.060421 0.069764 10H 2s 1.568826 0.829378 0.994260 1.301912 -0.626147 -0.802540 10H 3s -1.184212 -0.648955 -0.718444 -1.006185 0.420462 0.564872 10H 1pz -0.043531 0.015100 -0.004588 -0.025412 0.025886 -0.054093 10H 1px -0.310493 -0.141804 -0.188263 -0.249229 0.116358 0.121279 10H 1py -0.004880 -0.001492 -0.021044 -0.007714 0.001193 -0.010893 11H 1s 0.097263 0.009400 0.063576 0.077537 0.000301 0.003654 11H 2s -1.147421 -0.124914 -0.732425 -0.794591 -0.059575 0.033113 11H 3s 0.686818 -0.085829 0.464204 0.530947 -0.104366 0.236071 11H 1pz 0.028258 0.041820 0.007656 0.039770 -0.023469 -0.042993 11H 1px -0.156674 -0.010318 -0.118041 -0.097578 0.008242 0.011430 11H 1py 0.178310 0.050891 0.072603 0.164835 -0.050082 -0.021132 12H 1s -0.000719 -0.014049 0.013961 0.005659 -0.074199 0.029412 12H 2s 0.034774 0.141164 -0.165187 -0.054260 0.688825 -0.223393 12H 3s -0.123683 -0.279171 0.104281 -0.068965 -0.352703 0.325786 12H 1pz -0.041200 -0.015989 0.038441 -0.038467 -0.024740 -0.027881 12H 1px -0.104752 -0.024577 -0.066380 -0.110224 0.081220 -0.004328 12H 1py 0.053360 0.048642 0.010262 0.039352 0.040216 -0.056012 13H 1s 0.054997 0.147307 -0.004433 -0.136721 -0.010626 -0.068652 13H 2s -0.713223 -1.725621 0.084426 1.650151 0.076318 0.646908 13H 3s 0.526354 1.249280 -0.067657 -1.295388 0.082591 -0.457589 13H 1pz -0.067186 -0.174979 0.009574 0.173496 -0.006647 0.062995 13H 1px 0.127402 0.264902 -0.013927 -0.254753 -0.011776 -0.076532 13H 1py -0.062847 -0.045018 -0.001559 0.103136 0.005637 0.011556 14H 1s -0.005219 0.034947 -0.001097 -0.032319 0.066639 -0.023252 14H 2s 0.023160 -0.296521 0.011513 0.362906 -0.622810 0.212338 14H 3s 0.005604 0.342864 -0.056464 -0.459963 0.343492 -0.285858 14H 1pz -0.039716 -0.114656 -0.004437 0.124905 -0.019929 0.026657 14H 1px 0.033728 0.005901 0.003231 -0.022349 -0.063142 0.031313 14H 1py -0.024031 -0.011403 -0.007378 0.125984 -0.048685 0.016409 15H 1s -0.060850 -0.057164 0.001813 0.116340 -0.062487 0.030881 15H 2s 0.720364 0.798447 -0.051774 -1.201400 0.612225 -0.339792 15H 3s -0.446604 -0.344666 -0.005413 0.694881 -0.354648 0.050528 15H 1pz -0.122795 -0.184112 -0.003142 0.276055 -0.060470 0.054142 15H 1px 0.043916 0.038191 -0.003899 0.015226 0.022995 -0.001163 15H 1py -0.028336 0.030943 0.006481 -0.007941 -0.032332 0.005257 16H 1s -0.110305 0.054017 0.120891 0.028126 0.084554 -0.103929 16H 2s 0.672793 -0.466040 -0.752716 -0.158051 -0.568461 0.774363 16H 3s -0.199627 0.093425 0.280575 0.078235 0.149225 -0.278985 16H 1pz 0.067732 -0.033391 -0.070152 -0.010999 -0.034739 0.057256 16H 1px -0.002274 -0.061276 0.053297 0.020122 -0.052131 -0.010622 16H 1py 0.090068 -0.025048 -0.100491 -0.046099 -0.092418 0.070966 17H 1s 0.077468 -0.031163 -0.142649 -0.120092 -0.047078 0.260341 17H 2s -0.551818 0.084217 0.900044 0.764431 0.384947 -1.624932 17H 3s 0.160490 -0.049418 -0.237652 -0.223699 -0.121144 0.357554 17H 1pz 0.014810 -0.001911 -0.038337 -0.043693 -0.050175 0.114899 17H 1px 0.040724 -0.037670 -0.044372 -0.049476 0.041638 0.073968 17H 1py -0.063591 0.030708 0.129544 0.079025 0.070482 -0.162378 18H 1s 0.061670 0.033759 0.186165 -0.000812 0.063370 0.262997 18H 2s -0.435457 -0.104587 -1.184163 0.018972 -0.472691 -1.642945 18H 3s 0.134735 0.056138 0.328156 -0.017873 0.126576 0.364370 18H 1pz -0.013497 -0.006255 -0.058298 0.008660 -0.062794 -0.122343 18H 1px -0.022680 -0.037383 -0.070023 0.013048 0.039630 -0.074554 18H 1py 0.064790 0.031466 0.146579 0.028348 0.079763 0.160723 19H 1s -0.108163 -0.058117 -0.110670 -0.059956 -0.066984 -0.106193 19H 2s 0.691064 0.489719 0.669207 0.400716 0.467844 0.785203 19H 3s -0.192622 -0.102937 -0.261865 -0.127713 -0.141373 -0.285640 19H 1pz -0.062347 -0.036521 -0.057480 -0.037061 -0.022714 -0.057946 19H 1px 0.008859 -0.062858 0.054491 0.022409 -0.045474 0.014591 19H 1py -0.085549 -0.028509 -0.109844 -0.031450 -0.083426 -0.072332 20H 1s -0.060405 0.054230 -0.079465 0.085172 0.067923 0.029850 20H 2s 0.722832 -0.763536 0.850648 -0.858579 -0.656343 -0.327158 20H 3s -0.417232 0.323094 -0.470585 0.527975 0.390439 0.043367 20H 1pz 0.128002 -0.176501 0.182747 -0.206826 -0.064787 -0.052187 20H 1px -0.038232 0.039215 0.003079 -0.010016 0.026742 0.002241 20H 1py 0.022455 0.031869 0.000191 0.010185 -0.036545 -0.004860 21H 1s -0.000466 -0.032503 0.020569 -0.020485 -0.064716 -0.017360 21H 2s -0.026081 0.268682 -0.228996 0.231380 0.605541 0.159094 21H 3s 0.062717 -0.322457 0.330698 -0.278071 -0.333542 -0.261240 21H 1pz 0.048196 -0.112011 0.079529 -0.094413 -0.018735 -0.026088 21H 1px -0.028989 0.009165 -0.016176 0.024009 -0.060035 -0.025015 21H 1py 0.030513 -0.006223 0.075086 -0.094213 -0.050096 -0.011420 22H 1s 0.062718 -0.145245 0.096044 -0.098865 0.007300 -0.072648 22H 2s -0.803239 1.704431 -1.180261 1.173377 -0.057952 0.687253 22H 3s 0.596684 -1.232584 0.925147 -0.917125 -0.097340 -0.484237 22H 1pz 0.075519 -0.169370 0.122699 -0.121153 -0.006789 -0.063961 22H 1px -0.139933 0.263626 -0.184647 0.182510 -0.007526 0.083648 22H 1py 0.060142 -0.040710 0.067880 -0.077175 -0.000376 -0.012143 23H 1s 0.007544 0.012210 -0.018950 -0.002989 0.076973 0.022386 23H 2s -0.051435 -0.117859 0.212764 0.051006 -0.724226 -0.158181 23H 3s -0.054520 0.263222 -0.073397 -0.102905 0.374005 0.288285 23H 1pz 0.026961 -0.012781 0.011401 0.051485 -0.025159 0.036919 23H 1px 0.105794 -0.024201 -0.126165 0.036910 0.084565 0.000829 23H 1py -0.039237 0.044490 0.026033 -0.018017 0.045331 0.050498 24H 1s 0.094439 -0.006449 -0.098260 0.013665 0.001042 0.006118 24H 2s -1.098970 0.090243 1.068601 -0.082263 0.041921 0.010749 24H 3s 0.660827 0.104696 -0.697706 0.075409 0.121099 0.241719 24H 1pz -0.028404 0.040889 0.032703 -0.022803 -0.019245 0.041929 24H 1px 0.159456 -0.006232 -0.157228 -0.006877 0.010240 -0.010821 24H 1py -0.160369 0.045036 0.156536 -0.068875 -0.049786 0.015520 25H 1s -0.116532 0.068556 0.138782 -0.022187 -0.061746 0.071891 25H 2s 1.537930 -0.792329 -1.627623 0.262056 0.630831 -0.824356 25H 3s -1.161194 0.620289 1.219771 -0.237442 -0.427701 0.577932 25H 1pz 0.042671 0.017417 -0.018196 0.015764 0.025743 0.055806 25H 1px 0.306523 -0.134235 -0.310225 0.052694 0.117460 -0.124039 25H 1py 0.015699 -0.004064 -0.028561 -0.006771 0.004524 0.006720 26O 1s 0.003535 0.000130 -0.000731 -0.000014 0.000546 0.000704 26O 2s 0.009973 -0.000543 -0.000898 0.000314 0.000922 0.004119 26O 3s -0.029581 0.024788 -0.023650 -0.009237 0.007097 -0.067363 26O 4s -0.038580 -0.136646 0.131275 0.058787 -0.097789 0.314147 26O 5s -0.697211 -0.266497 0.404528 0.066317 0.406469 1.282565 26O 1pz 0.020694 0.036295 0.037834 0.037704 0.004372 -0.041836 26O 1px 0.011989 -0.029085 -0.018995 -0.004187 -0.001568 -0.003825 26O 1py 0.028602 0.007774 0.024263 0.018593 -0.035010 -0.025232 26O 2pz 0.078232 0.049820 0.027143 0.044549 -0.025885 -0.084089 26O 2px 0.046633 0.035189 -0.116222 -0.021084 -0.016108 -0.207354 26O 2py 0.062555 0.020326 -0.022116 0.005895 -0.025793 -0.123090 26O 3pz -0.187084 0.130458 -0.088642 -0.245671 0.195941 -0.132892 26O 3px 0.140274 0.513138 -0.314312 -0.256633 0.072586 -0.704142 26O 3py -0.077180 0.254380 -0.147532 -0.162876 0.110805 -0.410392 26O 1dz2 0.000838 0.000674 0.002432 0.002158 0.000889 0.001454 26O 1dxz 0.004679 0.003290 0.000953 0.002200 -0.001133 -0.004856 26O 1dyz 0.003613 0.002092 0.001380 0.003278 -0.001952 -0.000820 26O 1dx2y2 -0.002340 0.000024 -0.003818 -0.001927 0.000816 0.000049 26O 1dxy 0.003078 -0.000752 -0.000327 -0.000157 -0.000737 -0.002979 26O 2dz2 0.096205 0.095264 -0.099223 0.073714 -0.023009 -0.000555 26O 2dxz 0.038774 0.057078 0.011779 0.071185 -0.151071 0.063451 26O 2dyz 0.005963 0.011696 -0.007243 -0.014634 -0.029536 -0.035630 26O 2dx2y2 -0.041320 0.049506 -0.041672 0.054994 -0.121048 0.030931 26O 2dxy -0.006398 -0.025858 0.065438 -0.007601 0.157648 0.057468 26O 1f0 0.002501 -0.000002 -0.000224 0.001550 -0.004136 0.001380 26O 1f+1 0.000736 -0.000474 0.002653 0.001371 -0.003087 0.004015 26O 1f-1 0.002016 -0.000533 0.001008 -0.000048 -0.000533 0.002215 26O 1f+2 -0.000740 0.001266 -0.000110 0.000258 -0.002165 -0.001303 26O 1f-2 -0.001087 0.000531 -0.000390 -0.000945 0.001742 0.000284 26O 1f+3 0.002422 -0.000907 0.002930 0.002473 -0.000111 0.001029 26O 1f-3 0.000408 -0.002252 0.003543 -0.000491 0.003139 0.005422 27O 1s -0.001554 -0.000626 0.003086 0.003381 0.001863 -0.000435 27O 2s -0.004583 -0.000014 0.006978 0.008842 0.004335 -0.001766 27O 3s 0.024774 -0.042421 0.011702 -0.011375 -0.000302 0.033267 27O 4s -0.023836 0.268854 -0.264438 -0.154159 -0.141400 -0.138943 27O 5s -0.167889 0.467359 0.129416 -0.200775 0.459669 -1.576319 27O 1pz -0.028328 -0.043802 -0.022736 0.017139 0.022800 0.012528 27O 1px -0.016783 0.012737 0.029633 0.025447 0.000278 0.013629 27O 1py 0.019635 0.051141 0.004456 -0.034646 0.018430 -0.020771 27O 2pz -0.030873 -0.041537 -0.009544 0.027111 -0.010300 0.013066 27O 2px 0.069344 -0.140425 0.119326 0.097719 -0.036219 0.211337 27O 2py 0.014097 0.092184 -0.022624 -0.094484 0.035807 -0.095656 27O 3pz 0.058586 -0.058409 0.053740 -0.059505 0.203082 0.021470 27O 3px 0.131186 -0.336480 0.003023 -0.126864 0.166744 0.448007 27O 3py 0.000956 -0.027977 -0.022565 0.284602 -0.267979 0.029047 27O 1dz2 -0.000899 0.000523 -0.000251 -0.000201 0.001271 -0.000824 27O 1dxz -0.002646 -0.005592 -0.000118 0.002415 0.000292 0.000958 27O 1dyz 0.000963 0.001667 0.000220 -0.001851 0.000067 0.000168 27O 1dx2y2 0.001658 0.001046 0.001515 -0.001792 -0.000073 0.001280 27O 1dxy 0.001513 0.003270 0.000015 -0.003917 0.000547 -0.001856 27O 2dz2 0.012204 -0.077274 0.048364 -0.065773 0.057385 0.087051 27O 2dxz -0.025378 -0.036863 -0.017055 -0.050987 -0.199689 -0.031501 27O 2dyz 0.000464 0.095517 -0.080218 -0.021233 -0.013953 -0.034755 27O 2dx2y2 -0.024105 -0.012746 -0.020726 -0.119397 -0.040954 -0.052242 27O 2dxy -0.000343 -0.036177 0.048811 -0.023909 -0.090325 0.032915 27O 1f0 0.002983 0.002134 0.000039 -0.002639 -0.001133 -0.000168 27O 1f+1 -0.002085 0.003464 -0.001704 -0.001964 -0.002791 -0.004380 27O 1f-1 0.000196 -0.000025 0.000158 0.000382 0.002570 0.000501 27O 1f+2 -0.000507 -0.001824 -0.001057 0.001133 0.000247 0.000610 27O 1f-2 0.000481 -0.001029 -0.000067 0.000190 0.001976 0.002366 27O 1f+3 -0.003241 0.003010 -0.001299 0.000328 0.003132 -0.003698 27O 1f-3 0.002023 -0.001428 0.001213 -0.001998 -0.002201 0.002760 28O 1s 0.004674 0.004736 0.003445 0.003007 0.000448 -0.000854 28O 2s 0.011706 0.010510 0.007502 0.007178 0.000905 -0.000698 28O 3s -0.013794 0.027093 0.018994 0.003869 0.003076 -0.047961 28O 4s -0.251108 -0.441542 -0.335361 -0.223228 -0.059751 0.276345 28O 5s 0.201132 -0.165503 -0.047888 0.057890 0.275769 1.924827 28O 1pz 0.027736 0.004737 0.013932 0.008242 -0.020631 -0.012252 28O 1px -0.013008 -0.009363 -0.036885 -0.015952 -0.004370 -0.003844 28O 1py 0.018817 -0.000106 0.001118 0.001642 0.009300 -0.015929 28O 2pz 0.079292 0.167044 0.112123 0.105332 -0.032584 -0.236501 28O 2px -0.019275 -0.150104 -0.124469 -0.085446 0.015799 0.197464 28O 2py 0.041009 0.021467 0.030097 0.020363 -0.011403 -0.073377 28O 3pz -0.254195 0.211755 -0.202557 -0.351606 0.165078 -0.546774 28O 3px 0.002775 -0.191592 -0.045553 0.050013 -0.093653 0.720043 28O 3py -0.059502 0.001674 -0.077805 -0.151192 0.404522 -0.017558 28O 1dz2 0.000961 0.002377 -0.001343 0.000116 -0.001885 -0.002735 28O 1dxz -0.000755 -0.002923 -0.000764 -0.000563 0.001169 0.005682 28O 1dyz 0.000974 -0.000692 0.000139 0.000332 0.000893 -0.002001 28O 1dx2y2 -0.001082 -0.000404 0.000930 0.000414 -0.000135 -0.000392 28O 1dxy -0.001890 0.000676 -0.000928 0.000313 -0.001217 0.003640 28O 2dz2 -0.034385 0.053272 -0.092056 0.052754 -0.147538 0.027738 28O 2dxz -0.051003 0.110801 0.004288 0.047389 -0.153904 -0.106825 28O 2dyz 0.021297 0.013109 0.014348 -0.010766 0.063254 0.001629 28O 2dx2y2 0.003074 0.083028 -0.052984 0.062487 -0.237578 -0.002927 28O 2dxy 0.051879 0.114176 0.028630 0.034652 0.182966 -0.045331 28O 1f0 0.003051 -0.000933 0.000442 0.000680 0.002832 0.002416 28O 1f+1 0.000740 -0.003674 -0.000876 -0.000752 0.000881 0.003220 28O 1f-1 0.001329 0.000794 0.000042 -0.000050 0.000605 0.001404 28O 1f+2 -0.004453 0.003802 0.000409 -0.000153 0.000736 -0.006146 28O 1f-2 -0.001016 -0.000396 -0.002104 -0.002023 0.001116 0.000800 28O 1f+3 -0.001713 0.001669 -0.000059 0.000009 0.002853 -0.001917 28O 1f-3 -0.002236 -0.001615 -0.001197 -0.001486 -0.001740 0.002056 29O 1s -0.000185 0.002415 -0.000880 -0.003883 0.000816 0.001269 29O 2s -0.001136 0.005912 -0.002530 -0.011401 0.002813 0.006431 29O 3s 0.018481 -0.004168 0.010716 0.054357 -0.022081 -0.089069 29O 4s -0.067987 -0.164148 0.017458 0.034868 0.046561 0.311809 29O 5s 0.017533 0.637963 -0.190963 -0.628038 0.045221 -0.075202 29O 1pz -0.041114 0.013559 0.046104 0.025423 0.033014 -0.073693 29O 1px -0.015549 0.017651 0.015150 0.010813 0.007329 -0.023842 29O 1py -0.003052 -0.003231 -0.011698 -0.009713 -0.000343 0.037493 29O 2pz 0.192143 -0.086453 -0.259505 -0.127443 -0.116005 0.315974 29O 2px 0.060878 -0.015119 -0.100454 -0.100606 -0.026693 0.164380 29O 2py 0.001250 0.018563 0.026822 0.063148 -0.012867 -0.125104 29O 3pz 0.373443 -0.162422 -0.401734 -0.236327 -0.410023 0.555621 29O 3px 0.090648 -0.123932 -0.185581 0.004988 -0.124472 0.555665 29O 3py -0.026246 -0.229268 0.128784 0.174834 0.049525 -0.172771 29O 1dz2 0.001837 -0.000036 -0.002246 -0.001412 -0.003713 0.002675 29O 1dxz -0.002006 0.003082 0.001411 0.000473 0.003969 -0.003074 29O 1dyz 0.000863 -0.000900 0.000073 0.000124 0.001714 0.000685 29O 1dx2y2 -0.000380 -0.001055 0.001891 0.001505 0.001734 -0.000614 29O 1dxy 0.000393 0.001260 -0.001044 -0.000883 -0.000396 0.001788 29O 2dz2 -0.149752 0.110125 0.165077 0.020149 0.127485 -0.131184 29O 2dxz 0.080158 -0.014519 -0.175904 -0.157444 -0.045778 0.400556 29O 2dyz -0.261633 0.108329 0.344747 0.178228 0.200229 -0.430156 29O 2dx2y2 0.056905 -0.026487 -0.028146 0.005938 -0.022124 0.003342 29O 2dxy -0.098668 0.047074 0.138446 0.151982 0.021864 -0.392396 29O 1f0 0.001958 -0.001258 0.000812 0.004825 -0.001523 -0.008312 29O 1f+1 0.000187 0.000004 -0.001849 -0.002819 -0.001212 0.003506 29O 1f-1 0.009984 -0.004321 -0.010264 -0.001333 -0.008161 0.005429 29O 1f+2 -0.005465 0.003207 0.004894 0.000378 0.004635 -0.004163 29O 1f-2 -0.008905 0.004698 0.015941 0.011712 0.006448 -0.025310 29O 1f+3 0.002397 -0.000524 -0.005637 -0.005825 -0.001389 0.010014 29O 1f-3 0.004211 -0.002709 -0.006851 -0.005196 -0.002156 0.011251 30O 1s -0.003531 -0.005537 -0.001643 0.003133 0.001730 -0.001095 30O 2s -0.009818 -0.011644 -0.003978 0.007346 0.004059 -0.004661 30O 3s 0.027555 -0.044810 -0.002110 0.008128 -0.002831 0.058832 30O 4s 0.097827 0.573369 0.084678 -0.246115 -0.118132 -0.289567 30O 5s 0.274187 0.325432 0.426941 -0.246072 0.599687 -0.890141 30O 1pz -0.005803 -0.003619 -0.013965 0.017904 -0.021465 0.034364 30O 1px 0.020768 -0.011367 0.038146 0.006700 0.009034 0.012935 30O 1py 0.003541 0.017710 -0.009841 -0.023468 -0.011554 -0.032478 30O 2pz -0.047191 -0.146124 -0.054168 0.082698 -0.040452 0.151370 30O 2px 0.025154 0.149672 0.085554 -0.061866 0.025782 -0.152532 30O 2py 0.056840 0.160533 0.053084 -0.123958 0.055103 -0.169994 30O 3pz 0.043677 -0.298338 0.081342 -0.076842 -0.048749 -0.081514 30O 3px 0.041877 0.427484 0.016794 -0.134835 0.054906 -0.151396 30O 3py -0.220635 0.098629 -0.088288 0.230304 -0.413949 -0.006011 30O 1dz2 -0.000952 -0.001873 0.000594 0.000545 -0.001947 0.000648 30O 1dxz 0.001161 0.002012 0.001894 0.000180 0.001328 0.000293 30O 1dyz 0.000160 0.002725 0.000723 -0.002036 0.001591 0.001317 30O 1dx2y2 0.000448 0.000923 -0.000743 -0.001497 -0.001106 0.000227 30O 1dxy -0.000602 -0.000505 -0.001613 0.001053 0.000148 0.000415 30O 2dz2 -0.053259 -0.026000 0.057774 -0.085286 -0.102451 -0.025026 30O 2dxz -0.049733 -0.049025 -0.034741 -0.003805 -0.248173 -0.022900 30O 2dyz 0.033465 0.028538 -0.021026 0.022723 0.101765 0.050750 30O 2dx2y2 -0.024385 -0.121064 -0.003847 -0.033145 -0.092546 0.018466 30O 2dxy -0.016287 0.102622 0.069111 -0.019914 -0.147949 -0.033560 30O 1f0 -0.000185 0.000870 0.001351 -0.000703 0.002833 -0.002855 30O 1f+1 0.000862 0.003274 0.000673 -0.003367 0.000933 -0.002821 30O 1f-1 0.000502 0.001782 -0.000584 -0.000900 -0.002428 -0.001847 30O 1f+2 0.001602 -0.001829 -0.001113 -0.000262 -0.002795 -0.000302 30O 1f-2 0.002976 -0.004707 -0.001100 0.000785 -0.000864 0.005642 30O 1f+3 -0.000171 0.003038 -0.000367 -0.001314 -0.000110 -0.002856 30O 1f-3 0.002211 -0.001129 -0.001623 -0.002026 0.002035 0.002714 31O 1s -0.003960 0.005467 -0.000828 0.003385 -0.001817 -0.001072 31O 2s -0.010625 0.011481 -0.001866 0.008038 -0.004134 -0.004589 31O 3s 0.020740 0.044389 -0.003139 0.006469 0.000179 0.058557 31O 4s 0.155984 -0.565897 0.097567 -0.232449 0.130358 -0.289062 31O 5s 0.376187 -0.303717 -0.186805 -0.442821 -0.550894 -0.902357 31O 1pz 0.005726 -0.002851 0.001634 -0.022880 -0.022672 -0.033102 31O 1px -0.020640 -0.011860 0.032940 0.020784 0.010229 -0.012050 31O 1py -0.004614 0.017101 -0.023072 0.010289 -0.012523 0.033500 31O 2pz 0.065933 -0.142222 0.013076 -0.094326 -0.040238 -0.152713 31O 2px -0.046625 0.146109 0.024616 0.099795 0.026723 0.153869 31O 2py -0.080377 0.155744 -0.040321 0.122608 0.053773 0.171468 31O 3pz 0.012906 -0.299209 -0.009795 0.124249 0.022389 0.098511 31O 3px -0.101997 0.422259 -0.060565 0.101943 0.004640 0.157158 31O 3py 0.159917 0.107548 0.110001 -0.244933 -0.485839 0.006165 31O 1dz2 -0.000960 0.001829 -0.000803 0.000034 0.001795 0.000471 31O 1dxz 0.001530 -0.001970 -0.001626 -0.001070 -0.000994 0.000302 31O 1dyz 0.000516 -0.002712 0.000663 -0.001930 -0.001057 0.001346 31O 1dx2y2 0.000580 -0.000919 0.001433 -0.000588 0.001525 0.000193 31O 1dxy -0.001267 0.000484 0.000674 0.001677 -0.000558 0.000499 31O 2dz2 -0.039505 0.025385 0.010282 -0.097545 0.103367 -0.026391 31O 2dxz -0.058957 0.046137 0.029613 0.017466 0.244616 -0.036233 31O 2dyz 0.031460 -0.028056 0.002316 0.031484 -0.101977 0.054160 31O 2dx2y2 -0.025204 0.120533 0.021507 -0.021173 0.088944 0.012241 31O 2dxy 0.002968 -0.101807 -0.042064 -0.056820 0.153163 -0.040849 31O 1f0 -0.000506 0.000782 0.000671 0.001198 0.002806 0.002680 31O 1f+1 -0.001101 0.003159 -0.001731 0.002887 0.001102 0.002680 31O 1f-1 -0.000461 0.001758 -0.001070 0.000325 -0.002229 0.002039 31O 1f+2 -0.001354 -0.001810 -0.001103 -0.000498 -0.002568 0.000387 31O 1f-2 -0.002267 -0.004684 -0.000391 -0.001193 -0.000800 -0.005678 31O 1f+3 -0.000052 0.003045 -0.001202 0.000717 -0.000082 0.002858 31O 1f-3 -0.001524 -0.001162 -0.002717 0.000602 0.002213 -0.002877 32O 1s -0.001052 -0.002405 0.003414 -0.002669 -0.000665 0.001211 32O 2s -0.003519 -0.005917 0.009854 -0.007816 -0.001724 0.006279 32O 3s 0.026396 0.005018 -0.043118 0.037047 0.002826 -0.088776 32O 4s -0.042218 0.159582 -0.053547 0.023756 0.029214 0.313346 32O 5s -0.127325 -0.632021 0.601640 -0.403907 -0.082445 -0.074467 32O 1pz 0.037645 0.015351 0.051831 0.010349 0.032559 0.075973 32O 1px 0.011193 0.018210 0.019128 0.000661 0.005888 0.023550 32O 1py 0.003590 -0.002483 -0.012806 -0.000114 -0.006655 -0.035918 32O 2pz -0.176613 -0.093542 -0.282295 -0.072365 -0.110710 -0.325510 32O 2px -0.041975 -0.016787 -0.142876 0.015651 -0.034102 -0.165725 32O 2py -0.015799 0.015665 0.053605 -0.035016 0.004706 0.116506 32O 3pz -0.356795 -0.172027 -0.467370 -0.086292 -0.375472 -0.562009 32O 3px -0.115408 -0.125070 -0.115528 -0.133463 -0.201854 -0.561333 32O 3py -0.014903 -0.230650 0.205297 -0.065636 0.061863 0.163226 32O 1dz2 0.001836 0.000107 0.002592 0.000425 0.003655 0.002724 32O 1dxz -0.001946 -0.003172 -0.001377 -0.000579 -0.004005 -0.003085 32O 1dyz 0.000696 0.000912 -0.000097 -0.000001 -0.001783 0.000744 32O 1dx2y2 -0.000568 0.001015 -0.002431 -0.000188 -0.001570 -0.000687 32O 1dxy 0.000287 -0.001278 0.001245 -0.000040 0.000606 0.001818 32O 2dz2 -0.149405 -0.110037 -0.121758 -0.098519 -0.080950 -0.111984 32O 2dxz 0.064433 0.019286 0.242800 -0.008221 0.077719 0.417603 32O 2dyz -0.250966 -0.123230 -0.380510 -0.095631 -0.190666 -0.441041 32O 2dx2y2 0.052026 0.031865 0.031836 0.022145 0.007729 0.018053 32O 2dxy -0.055742 -0.048849 -0.196716 0.037939 -0.059634 -0.381762 32O 1f0 -0.001805 -0.001085 0.004120 -0.002936 0.000491 0.008636 32O 1f+1 -0.000163 -0.000120 -0.003888 0.001014 -0.002007 -0.004511 32O 1f-1 -0.009756 -0.004634 -0.008289 -0.005960 -0.005885 -0.004832 32O 1f+2 0.005462 0.003443 0.003784 0.003149 0.003824 0.003813 32O 1f-2 0.007791 0.005152 0.019912 0.001481 0.007878 0.026011 32O 1f+3 -0.001342 -0.000378 -0.007314 0.000944 -0.001925 -0.009092 32O 1f-3 -0.003451 -0.002930 -0.008816 -0.000426 -0.002644 -0.011565 33O 1s 0.004841 -0.004637 -0.004623 -0.000149 -0.000591 -0.000812 33O 2s 0.012193 -0.010269 -0.010555 0.000130 -0.001317 -0.000599 33O 3s -0.016515 -0.027157 -0.015286 -0.010340 -0.001387 -0.047798 33O 4s -0.243842 0.434612 0.394690 0.067411 0.057118 0.274426 33O 5s 0.225789 0.171099 -0.018789 0.084698 -0.258573 1.908299 33O 1pz -0.026275 0.003955 0.015221 0.003837 -0.021076 0.013621 33O 1px 0.017645 -0.009515 -0.039158 -0.011247 -0.002848 0.003022 33O 1py -0.017734 -0.001020 0.001325 -0.000152 0.008741 0.013606 33O 2pz -0.073942 0.164763 0.150944 0.000927 -0.032724 0.236086 33O 2px 0.016074 -0.150099 -0.148326 -0.022888 0.019980 -0.198546 33O 2py -0.036697 0.020292 0.035229 0.006754 -0.010329 0.073734 33O 3pz 0.267072 0.214723 -0.402112 0.128100 0.192324 0.524587 33O 3px -0.016769 -0.188715 0.011909 -0.072971 -0.132528 -0.698947 33O 3py 0.079498 0.000223 -0.167268 0.065830 0.419722 0.001390 33O 1dz2 0.001122 -0.002350 0.000989 0.001012 0.001595 -0.002706 33O 1dxz -0.000821 0.002934 0.000874 0.000115 -0.000857 0.005578 33O 1dyz 0.000741 0.000737 -0.000226 0.000086 -0.001135 -0.001859 33O 1dx2y2 -0.000972 0.000347 -0.001047 -0.000278 0.000193 -0.000456 33O 1dxy -0.001503 -0.000755 0.000385 0.000974 0.001530 0.003558 33O 2dz2 -0.021969 -0.055294 0.033637 0.104474 0.149213 0.029713 33O 2dxz -0.048605 -0.112472 -0.032602 0.031496 0.157320 -0.110972 33O 2dyz 0.012872 -0.011917 -0.003190 -0.020790 -0.066101 0.000456 33O 2dx2y2 0.003332 -0.083739 -0.000963 0.079395 0.240475 -0.009371 33O 2dxy 0.049568 -0.112468 -0.044054 0.003020 -0.184567 -0.033387 33O 1f0 -0.003283 -0.001022 0.000861 -0.000277 0.002923 -0.002649 33O 1f+1 -0.000887 -0.003687 -0.001135 -0.000151 0.001088 -0.003330 33O 1f-1 -0.001316 0.000769 0.000001 0.000061 0.000476 -0.001370 33O 1f+2 0.004648 0.003886 0.000032 0.000478 0.000647 0.006003 33O 1f-2 0.000798 -0.000371 -0.002869 0.000031 0.001301 -0.000831 33O 1f+3 0.001878 0.001687 -0.000164 -0.000017 0.002905 0.001700 33O 1f-3 0.001761 -0.001532 -0.001762 0.000105 -0.001585 -0.001856 34O 1s -0.001834 0.000577 -0.004463 0.000327 -0.001947 -0.000489 34O 2s -0.005105 -0.000127 -0.010878 0.001647 -0.004507 -0.001884 34O 3s 0.020537 0.042914 -0.001181 -0.017382 -0.000816 0.033170 34O 4s 0.009401 -0.267580 0.294860 0.072905 0.151154 -0.134187 34O 5s -0.098201 -0.471201 0.040535 -0.207253 -0.389096 -1.599789 34O 1pz 0.030056 -0.042711 -0.005196 -0.028062 0.022535 -0.014840 34O 1px 0.013420 0.012635 0.039647 0.000048 -0.000492 -0.014327 34O 1py -0.023068 0.050571 -0.019921 0.028871 0.019350 0.019891 34O 2pz 0.031448 -0.040428 0.011274 -0.027296 -0.008625 -0.013768 34O 2px -0.056010 -0.142000 0.154208 0.012899 -0.027722 -0.213185 34O 2py -0.021850 0.091324 -0.079550 0.053362 0.032072 0.097623 34O 3pz -0.059011 -0.058913 -0.001329 0.076975 0.192769 -0.020250 34O 3px -0.032067 -0.335379 -0.100581 0.127329 0.229870 -0.448460 34O 3py -0.021852 -0.030092 0.179008 -0.231632 -0.286842 -0.037319 34O 1dz2 -0.000731 -0.000563 0.000302 0.000081 -0.001055 -0.000799 34O 1dxz -0.002786 0.005508 -0.001539 0.001924 -0.000429 0.000996 34O 1dyz 0.001085 -0.001642 0.001099 -0.001499 -0.000203 0.000128 34O 1dx2y2 0.001668 -0.001003 0.000097 -0.002407 -0.000171 0.001293 34O 1dxy 0.002102 -0.003240 0.002497 -0.002796 -0.000033 -0.001934 34O 2dz2 0.018401 0.079317 0.005183 -0.079135 -0.054704 0.094998 34O 2dxz -0.021413 0.037302 0.044648 -0.025557 0.198396 -0.039080 34O 2dyz 0.001722 -0.095268 0.074783 0.037464 0.013404 -0.035435 34O 2dx2y2 -0.009955 0.012437 0.093939 -0.069900 0.044403 -0.053411 34O 2dxy -0.000094 0.035848 -0.022221 -0.050523 0.090183 0.023058 34O 1f0 -0.002818 0.002000 -0.001760 0.002079 -0.001010 0.000167 34O 1f+1 0.001712 0.003471 -0.002576 0.000186 -0.002752 0.004640 34O 1f-1 -0.000028 -0.000007 0.000371 -0.000120 0.002518 -0.000634 34O 1f+2 0.000589 -0.001724 -0.000065 -0.001540 0.000231 -0.000563 34O 1f-2 -0.000391 -0.001028 0.000096 -0.000175 0.001961 -0.002434 34O 1f+3 0.002849 0.003072 -0.000760 -0.001256 0.002867 0.003605 34O 1f-3 -0.001837 -0.001502 -0.000393 0.002382 -0.002363 -0.002615 35O 1s 0.003302 -0.000042 0.000618 0.000400 -0.000666 0.000818 35O 2s 0.009548 0.000761 0.000547 0.000699 -0.001064 0.004333 35O 3s -0.032970 -0.024593 0.025534 0.007578 -0.010164 -0.065686 35O 4s -0.007214 0.130779 -0.149330 -0.032639 0.115987 0.299602 35O 5s -0.673936 0.234924 -0.369367 -0.206305 -0.376845 1.256610 35O 1pz -0.018749 0.035837 0.053435 -0.000853 0.003549 0.040852 35O 1px -0.011780 -0.029580 -0.016724 -0.010381 -0.002367 0.003908 35O 1py -0.029830 0.007073 0.031039 0.002587 -0.034202 0.027250 35O 2pz -0.077537 0.047216 0.049459 -0.013736 -0.026071 0.083426 35O 2px -0.033630 0.030228 -0.106373 -0.057236 -0.013795 0.200103 35O 2py -0.056202 0.017152 -0.014664 -0.016512 -0.025161 0.120491 35O 3pz 0.165893 0.133455 -0.234438 0.113510 0.239320 0.120672 35O 3px -0.118496 0.502271 -0.431045 -0.006037 0.156899 0.672546 35O 3py 0.095593 0.253433 -0.237951 0.027640 0.158718 0.402599 35O 1dz2 0.000786 -0.000680 -0.003341 -0.000081 -0.000655 0.001401 35O 1dxz 0.004827 -0.003163 -0.002124 0.000987 0.000578 -0.004733 35O 1dyz 0.003512 -0.002028 -0.003224 0.001412 0.001784 -0.000840 35O 1dx2y2 -0.002045 -0.000062 0.004167 0.001266 -0.000960 0.000220 35O 1dxy 0.002843 0.000846 0.000473 0.000039 0.000297 -0.002911 35O 2dz2 0.097748 -0.092787 0.025796 0.120272 0.016922 0.013310 35O 2dxz 0.046694 -0.058176 -0.057274 0.046283 0.154643 0.058516 35O 2dyz 0.002862 -0.011031 0.015148 -0.006688 0.028681 -0.042694 35O 2dx2y2 -0.037555 -0.052005 -0.005160 0.069869 0.122758 0.030650 35O 2dxy -0.006622 0.024962 -0.045581 -0.049585 -0.155831 0.066154 35O 1f0 -0.002436 -0.000055 0.000829 -0.001294 -0.003975 -0.001265 35O 1f+1 -0.000796 -0.000413 0.002944 0.000738 -0.003275 -0.003690 35O 1f-1 -0.002455 -0.000545 0.000876 0.000557 -0.000725 -0.002108 35O 1f+2 0.000837 0.001260 0.000033 -0.000199 -0.002293 0.001389 35O 1f-2 0.001025 0.000551 -0.000876 0.000450 0.001590 -0.000372 35O 1f+3 -0.002221 -0.000952 0.003803 0.000159 -0.000205 -0.001040 35O 1f-3 -0.000813 -0.002146 0.002536 0.002588 0.003024 -0.005328 342 343 344 345 346 347 1.64423 1.64767 1.65291 1.72001 1.72485 1.74299 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s 0.001662 -0.000288 0.000186 -0.000147 -0.000831 -0.003372 0Rh 2s -0.004086 0.001144 -0.000440 0.000471 0.006579 0.014258 0Rh 3s 0.007250 -0.000989 0.000820 -0.000577 -0.000851 -0.011069 0Rh 4s 0.018871 -0.005454 0.002068 -0.002261 -0.033061 -0.069302 0Rh 5s 0.004989 0.004596 -0.000016 0.001506 0.067167 0.076784 0Rh 6s -0.155116 0.017285 -0.012009 0.007477 -0.089486 0.122532 0Rh 7s 1.531818 -0.138131 0.085424 0.011355 1.168933 -0.048905 0Rh 8s -0.242037 -0.015635 0.173777 0.114272 -0.403548 0.509655 0Rh 1pz -0.000025 0.000097 0.001241 -0.002105 -0.000712 0.004091 0Rh 1px 0.000730 0.000525 -0.004728 -0.001009 0.022218 -0.004733 0Rh 1py 0.002475 0.000582 -0.000773 -0.003459 0.004527 0.002854 0Rh 2pz -0.000891 0.000069 -0.004052 0.007073 0.002331 -0.013460 0Rh 2px 0.000747 -0.002061 0.016334 0.003139 -0.073250 0.014119 0Rh 2py -0.008276 -0.002254 0.003079 0.011808 -0.015176 -0.009804 0Rh 3pz 0.020822 -0.008545 -0.002903 0.000609 0.002985 -0.007853 0Rh 3px -0.068549 0.006058 -0.007800 0.005533 -0.038789 0.039418 0Rh 3py -0.002009 0.006161 -0.010112 -0.002469 -0.002685 0.003760 0Rh 4pz -0.078588 0.035504 0.036956 -0.043957 -0.035179 0.113693 0Rh 4px 0.273691 -0.011156 -0.069336 -0.040045 0.602734 -0.241064 0Rh 4py 0.059926 -0.011751 0.024007 -0.062521 0.103962 0.042503 0Rh 5pz 0.149204 -0.089083 -0.081362 0.070110 0.100988 -0.192347 0Rh 5px -0.541201 0.014836 0.125040 0.064357 -1.028795 0.409979 0Rh 5py -0.098532 0.037566 -0.080089 0.104328 -0.168888 -0.061325 0Rh 6pz -0.351693 1.035738 0.857377 -0.255166 0.101196 0.541370 0Rh 6px 1.780363 0.268713 -0.676955 -0.190957 1.564436 -1.601873 0Rh 6py -0.666946 -0.650832 1.575765 -0.198655 -0.286046 0.028884 0Rh 1dz2 -0.009434 -0.016260 -0.004893 -0.000296 0.008048 0.019262 0Rh 1dxz -0.011095 -0.004908 -0.001302 -0.001595 0.014701 0.018628 0Rh 1dyz -0.009280 0.008151 -0.003424 -0.011737 0.000957 0.005503 0Rh 1dx2y2 0.006668 -0.011348 -0.002171 -0.006853 -0.021392 -0.032854 0Rh 1dxy -0.006594 -0.006469 0.011524 -0.003759 -0.010060 -0.007856 0Rh 2dz2 0.002099 0.003328 0.001011 0.001868 -0.002056 -0.005928 0Rh 2dxz 0.001422 0.000341 0.000990 -0.000522 -0.000136 -0.006587 0Rh 2dyz 0.001899 -0.002539 -0.000570 0.006284 0.001172 -0.003173 0Rh 2dx2y2 -0.001072 0.002858 -0.000848 0.002187 0.003632 0.009607 0Rh 2dxy -0.000652 0.000857 -0.002560 0.002835 0.001576 0.002525 0Rh 3dz2 0.013311 0.024391 0.007251 -0.007558 -0.010840 -0.020519 0Rh 3dxz 0.020269 0.010331 -0.001274 0.006240 -0.034854 -0.016412 0Rh 3dyz 0.013675 -0.008452 0.010647 0.000522 -0.007412 0.000731 0Rh 3dx2y2 -0.011278 0.014580 0.008995 0.006843 0.036203 0.037367 0Rh 3dxy 0.018378 0.011660 -0.016249 -0.003369 0.017544 0.007951 0Rh 4dz2 0.035158 0.057043 0.018421 0.030008 -0.026962 -0.101921 0Rh 4dxz 0.026361 0.006147 0.016400 -0.008061 -0.011760 -0.105197 0Rh 4dyz 0.034603 -0.040836 -0.005668 0.106966 0.016103 -0.054230 0Rh 4dx2y2 -0.016454 0.048573 -0.013018 0.038754 0.056556 0.161319 0Rh 4dxy -0.001865 0.017592 -0.047449 0.045142 0.026431 0.040916 0Rh 5dz2 -0.113918 -0.203583 -0.086601 -0.197745 0.034066 0.472938 0Rh 5dxz -0.078767 0.008188 -0.088849 0.049988 0.049706 0.396538 0Rh 5dyz -0.146160 0.144141 0.020882 -0.640912 -0.071585 0.328655 0Rh 5dx2y2 0.014046 -0.175498 0.093062 -0.203452 -0.138208 -0.645218 0Rh 5dxy -0.017482 -0.079538 0.235671 -0.244242 -0.077604 -0.126531 0Rh 1f0 -0.041590 -0.041671 0.004155 0.052872 -0.009532 -0.013504 0Rh 1f+1 0.029975 -0.085586 -0.038173 -0.055065 0.041849 0.027816 0Rh 1f-1 0.010225 -0.011805 0.030693 0.065038 0.062596 0.000333 0Rh 1f+2 0.047813 -0.021472 0.038038 0.052786 -0.069622 0.027116 0Rh 1f-2 0.014368 0.048904 -0.009156 -0.138072 -0.020296 0.055445 0Rh 1f+3 0.067948 -0.007466 0.050979 0.015017 0.052277 0.011887 0Rh 1f-3 0.054897 0.030714 -0.115338 0.090144 0.002384 0.002390 1Rh 1s 0.001667 -0.000024 -0.000188 0.000149 -0.000769 0.003354 1Rh 2s -0.004109 -0.000383 0.000456 -0.000574 0.006335 -0.013622 1Rh 3s 0.007261 -0.000376 -0.000824 0.000522 -0.000639 0.011349 1Rh 4s 0.018985 0.001942 -0.002149 0.002797 -0.031873 0.066027 1Rh 5s 0.004848 -0.005650 0.000188 -0.003083 0.065884 -0.067855 1Rh 6s -0.155314 0.012258 0.011686 -0.003610 -0.091467 -0.141980 1Rh 7s 1.541888 -0.155820 -0.079342 -0.055461 1.161689 0.257591 1Rh 8s -0.218717 0.059973 -0.174915 -0.103264 -0.405639 -0.577245 1Rh 1pz 0.000125 -0.000104 0.001371 -0.001983 0.000664 0.005408 1Rh 1px -0.000171 0.000605 -0.004798 -0.000448 -0.022074 -0.007348 1Rh 1py -0.002392 0.001210 -0.000743 -0.003005 -0.004397 0.001390 1Rh 2pz 0.000572 0.000544 -0.004491 0.006656 -0.002160 -0.017748 1Rh 2px -0.002637 -0.001724 0.016560 0.001323 0.072679 0.022726 1Rh 2py 0.007952 -0.004350 0.002983 0.010284 0.014725 -0.004925 1Rh 3pz -0.021130 -0.004208 -0.002925 0.000699 -0.003206 -0.011237 1Rh 3px 0.068636 -0.006896 -0.007593 0.003832 0.040560 0.044508 1Rh 3py 0.002952 0.005600 -0.010238 -0.002662 0.003012 0.005138 1Rh 4pz 0.081576 0.015124 0.039699 -0.042154 0.035066 0.153075 1Rh 4px -0.262682 0.039390 -0.071518 -0.022133 -0.606148 -0.314969 1Rh 4py -0.061846 0.003457 0.025051 -0.052552 -0.102714 0.007678 1Rh 5pz -0.154392 -0.050958 -0.085875 0.069002 -0.100732 -0.258876 1Rh 5px 0.522342 -0.085189 0.128809 0.033123 1.034755 0.540149 1Rh 5py 0.104431 0.012505 -0.081799 0.088726 0.168448 -0.006500 1Rh 6pz 0.370763 0.944466 0.856343 -0.250162 -0.108947 0.730631 1Rh 6px -1.701711 0.593982 -0.686925 -0.132870 -1.598172 -1.772259 1Rh 6py 0.573186 -0.767831 1.584556 -0.212732 0.248694 0.008453 1Rh 1dz2 -0.005236 0.017377 0.004944 0.000151 0.007500 -0.017240 1Rh 1dxz -0.008368 0.006245 0.001664 0.001277 0.014410 -0.017283 1Rh 1dyz -0.011353 -0.007358 0.003463 0.011775 0.001226 -0.004726 1Rh 1dx2y2 0.009777 0.009425 0.002256 0.007224 -0.020450 0.029880 1Rh 1dxy -0.005890 0.007483 -0.011499 0.004313 -0.009468 0.006770 1Rh 2dz2 0.001117 -0.003578 -0.001031 -0.001826 -0.001964 0.005668 1Rh 2dxz 0.000992 -0.000538 -0.001023 0.000484 0.000036 0.006213 1Rh 2dyz 0.002414 0.002257 0.000599 -0.006363 0.001053 0.002851 1Rh 2dx2y2 -0.001735 -0.002570 0.000843 -0.002269 0.003307 -0.009282 1Rh 2dxy -0.000775 -0.000694 0.002555 -0.002934 0.001383 -0.002357 1Rh 3dz2 0.007559 -0.025963 -0.007290 0.007739 -0.009923 0.016759 1Rh 3dxz 0.015631 -0.012668 0.000560 -0.005313 -0.034908 0.014716 1Rh 3dyz 0.016392 0.007803 -0.010863 -0.000261 -0.007528 -0.001222 1Rh 3dx2y2 -0.015806 -0.011239 -0.009175 -0.007391 0.035353 -0.031558 1Rh 3dxy 0.017234 -0.014755 0.016216 0.002461 0.016959 -0.006014 1Rh 4dz2 0.018684 -0.061148 -0.018683 -0.029572 -0.025227 0.096973 1Rh 4dxz 0.018567 -0.009508 -0.017177 0.007833 -0.008978 0.100338 1Rh 4dyz 0.043100 0.036233 0.006010 -0.108190 0.013960 0.049414 1Rh 4dx2y2 -0.027869 -0.043757 0.012858 -0.039910 0.051079 -0.155395 1Rh 4dxy -0.004183 -0.016490 0.047346 -0.046813 0.023183 -0.038587 1Rh 5dz2 -0.056798 0.215707 0.087168 0.198474 0.027790 -0.453408 1Rh 5dxz -0.053755 0.000378 0.091981 -0.050274 0.037041 -0.389114 1Rh 5dyz -0.175430 -0.125618 -0.021845 0.646584 -0.057225 -0.311358 1Rh 5dx2y2 0.055230 0.166128 -0.092309 0.205847 -0.113095 0.627143 1Rh 5dxy -0.006803 0.079481 -0.235270 0.249428 -0.062515 0.125894 1Rh 1f0 0.040826 -0.049066 0.004352 0.053210 0.010988 -0.016185 1Rh 1f+1 -0.039215 -0.079727 -0.037958 -0.052696 -0.042816 0.030377 1Rh 1f-1 -0.013686 -0.009878 0.031348 0.069484 -0.060306 0.000097 1Rh 1f+2 -0.055212 -0.010296 0.037861 0.050827 0.071973 0.015094 1Rh 1f-2 -0.007343 0.052332 -0.008719 -0.136843 0.017995 0.046293 1Rh 1f+3 -0.063468 0.003642 0.051143 0.016905 -0.052144 0.017017 1Rh 1f-3 -0.048863 0.040780 -0.114973 0.091123 0.001572 -0.000036 2C 1s -0.000177 0.003039 0.005216 -0.011661 -0.009892 0.010793 2C 2s -0.003042 0.009751 0.016095 -0.038997 -0.037651 0.037273 2C 3s 0.077529 -0.104609 -0.164805 0.455257 0.554260 -0.438019 2C 4s -0.273517 0.237113 0.378251 -1.187095 -1.858150 1.148022 2C 5s 1.489386 -0.622029 -0.742255 0.366569 0.243687 0.010541 2C 1pz -0.024828 -0.101221 -0.056236 0.028114 0.137911 -0.059395 2C 1px 0.191614 -0.098434 -0.205029 -0.000252 -0.034865 -0.010812 2C 1py -0.019138 0.152595 0.028009 -0.002431 0.046273 -0.014637 2C 2pz -0.101711 0.387711 0.143107 -0.206592 -1.102952 0.348166 2C 2px -0.717674 0.346163 0.670690 -0.135418 -0.016278 0.200132 2C 2py -0.052496 -0.543352 -0.109028 -0.092784 -0.582922 0.188090 2C 3pz 0.324556 -0.247771 -0.081814 -0.035255 0.018520 0.083508 2C 3px 0.361736 -0.246621 -0.341762 -0.109749 -0.170056 0.054274 2C 3py 0.123723 0.167876 0.014057 -0.063648 -0.068490 0.090325 2C 1dz2 0.011991 -0.014289 0.004828 -0.006779 0.007364 0.007194 2C 1dxz 0.017306 -0.022497 -0.012074 0.023379 0.016573 -0.023454 2C 1dyz -0.000005 0.011035 0.011864 0.002542 0.016499 -0.001124 2C 1dx2y2 -0.014166 -0.014230 0.011982 -0.001947 -0.002145 0.000167 2C 1dxy 0.001903 0.018271 0.009603 0.012550 0.005308 -0.014132 2C 2dz2 -0.093097 -0.001643 0.010956 -0.045607 -0.313426 0.069997 2C 2dxz 0.138266 -0.167526 -0.179324 -0.045022 -0.187258 0.096628 2C 2dyz -0.256451 0.069441 0.163580 -0.101793 -0.438320 0.161167 2C 2dx2y2 -0.132413 -0.047567 0.081459 0.019986 0.187806 -0.044783 2C 2dxy -0.027945 0.199832 0.076180 -0.069405 -0.133389 0.099759 2C 1f0 -0.011632 -0.033041 0.012350 -0.010359 0.002288 0.004564 2C 1f+1 -0.009688 0.008434 0.017770 -0.000303 -0.003505 0.007263 2C 1f-1 0.014411 0.005249 -0.010955 -0.013741 -0.017872 0.008315 2C 1f+2 0.019005 -0.020387 -0.012860 0.015775 0.004762 -0.012206 2C 1f-2 0.013378 -0.014609 -0.017937 0.000697 0.002121 -0.001504 2C 1f+3 0.000927 -0.019719 -0.012414 0.014888 0.004942 -0.005393 2C 1f-3 -0.024054 0.024701 0.017792 -0.007282 0.001504 0.007518 3C 1s 0.003994 0.002628 -0.005128 0.008072 -0.008175 0.002309 3C 2s 0.008598 0.008406 -0.016351 0.028198 -0.032522 0.008735 3C 3s -0.050339 -0.084292 0.153882 -0.342499 0.478458 -0.097828 3C 4s -0.126736 0.199876 -0.298893 0.913969 -1.639198 0.228386 3C 5s -1.653694 -0.300766 0.765166 0.275583 -0.658351 0.313393 3C 1pz 0.021224 0.020765 -0.194014 -0.037920 0.110628 -0.008618 3C 1px 0.007975 -0.205647 0.093143 0.036067 0.043627 -0.001180 3C 1py -0.107964 0.027647 -0.102204 0.035865 -0.113644 0.020236 3C 2pz -0.307290 -0.074350 0.721467 0.174800 -0.748396 0.054382 3C 2px -0.183512 0.746717 -0.363722 0.050007 -0.409543 -0.009793 3C 2py 0.725518 -0.064647 0.366494 -0.260781 0.982409 -0.129107 3C 3pz -0.262097 0.126832 -0.370498 0.001405 -0.044735 0.050247 3C 3px -0.121508 -0.243323 0.223821 0.204196 -0.143475 -0.027010 3C 3py 0.176707 0.043796 -0.337838 -0.145029 0.234104 -0.109055 3C 1dz2 0.000358 0.000529 -0.009943 0.008708 -0.005899 0.002911 3C 1dxz 0.005759 -0.026752 0.002325 -0.008955 0.016749 -0.001989 3C 1dyz -0.001712 -0.014254 0.031393 -0.004068 -0.008560 -0.001411 3C 1dx2y2 -0.012340 -0.004992 -0.022134 -0.009917 -0.004045 -0.002799 3C 1dxy -0.012235 -0.001025 -0.012786 0.023420 -0.016575 0.008987 3C 2dz2 0.083832 0.005829 0.099812 -0.052261 0.090347 -0.013179 3C 2dxz -0.157449 -0.207374 0.059414 0.104958 -0.159113 0.016935 3C 2dyz 0.224099 -0.180560 0.224473 -0.058409 0.368062 -0.055540 3C 2dx2y2 0.173310 -0.045311 -0.131926 -0.051921 0.344139 -0.041176 3C 2dxy 0.191097 -0.058511 -0.056997 -0.114077 0.321597 -0.000828 3C 1f0 -0.002017 0.001684 -0.025001 -0.000949 0.011553 0.002135 3C 1f+1 0.003625 0.019930 -0.035464 0.000622 0.003698 -0.002429 3C 1f-1 0.011871 0.008764 0.035571 -0.005914 -0.000079 -0.003512 3C 1f+2 -0.026385 0.015185 -0.002484 -0.018184 -0.001639 -0.003097 3C 1f-2 -0.022849 -0.004896 0.014564 0.002425 -0.006065 0.002641 3C 1f+3 0.006575 -0.019473 -0.004495 0.003852 0.006583 -0.001109 3C 1f-3 -0.005576 -0.028391 0.007407 -0.005258 0.006835 -0.004945 4C 1s 0.001392 0.001112 0.003919 0.005418 0.002083 -0.005587 4C 2s 0.003102 0.002112 0.009970 0.017922 0.005544 -0.018477 4C 3s -0.076572 0.052018 0.032265 -0.325316 -0.258775 0.383574 4C 4s -0.164858 -0.306156 -0.414523 1.097893 1.065056 -1.501436 4C 5s -0.313354 0.462080 0.999242 -0.113859 0.507233 -0.166122 4C 1pz -0.057458 0.004280 0.043735 0.019044 0.065157 -0.049710 4C 1px -0.006466 -0.000228 0.011973 -0.031168 -0.085365 0.074482 4C 1py 0.002040 -0.054327 -0.011260 0.022045 0.016117 -0.007903 4C 2pz -0.083331 -0.023303 -0.122348 -0.362031 -1.245273 0.232941 4C 2px -0.349854 -0.026800 0.023621 0.727566 0.786889 -0.120332 4C 2py -0.269431 0.160853 -0.013414 0.017515 -0.473883 0.119858 4C 3pz 1.361689 -0.396407 -0.094368 -0.533010 0.001742 0.501668 4C 3px -0.003187 -0.014307 0.015896 0.939165 0.316818 -0.468674 4C 3py 0.920875 -0.275630 -0.091680 0.035422 0.167730 0.121495 4C 1dz2 0.009391 0.026009 0.004455 0.002429 0.005529 0.008857 4C 1dxz 0.009645 0.012216 0.003182 -0.000727 0.020484 -0.007707 4C 1dyz 0.019770 -0.012219 0.015214 0.003310 0.017407 -0.004234 4C 1dx2y2 -0.009617 0.007933 -0.021488 0.006111 -0.003874 -0.007002 4C 1dxy -0.003779 0.003738 0.000863 0.003252 -0.001416 -0.008115 4C 2dz2 0.084036 0.018105 -0.067456 0.044549 0.174010 -0.139234 4C 2dxz -0.104732 0.128921 0.040877 -0.069380 0.359670 0.226908 4C 2dyz 0.229187 -0.036517 -0.078694 0.123676 0.426688 -0.147242 4C 2dx2y2 0.081613 0.079680 -0.002595 0.076088 -0.169365 -0.068143 4C 2dxy -0.028961 -0.153788 -0.059123 0.043987 0.262262 0.036030 4C 1f0 -0.002736 -0.003895 0.016536 0.004391 0.001862 0.007939 4C 1f+1 -0.003539 -0.017071 0.015188 -0.014060 -0.015625 0.015764 4C 1f-1 -0.011635 0.003142 0.025029 -0.028684 -0.046578 0.023698 4C 1f+2 0.016225 -0.015951 -0.018476 -0.008241 0.004545 -0.017450 4C 1f-2 -0.002351 0.015802 0.006340 -0.003214 -0.015723 0.008239 4C 1f+3 0.014033 0.001567 0.010949 -0.023009 -0.020788 0.004157 4C 1f-3 0.007134 0.023335 -0.005170 -0.030144 -0.015405 0.009213 5C 1s -0.006750 0.005018 -0.003392 -0.001952 -0.002975 0.001676 5C 2s -0.023612 0.014120 -0.009029 -0.006565 -0.010992 0.004973 5C 3s 0.365799 -0.053671 0.052681 0.229080 -0.093118 0.031405 5C 4s -1.490850 -0.096473 -0.155376 -1.015684 0.711583 -0.334956 5C 5s -0.122053 0.659712 -1.060942 -0.407234 0.508915 -0.275849 5C 1pz -0.023812 0.023581 0.053384 -0.012401 0.033148 -0.078648 5C 1px -0.036182 0.016403 0.030746 0.031988 -0.079295 0.107474 5C 1py 0.070618 -0.026701 0.017339 0.052480 -0.032170 0.023200 5C 2pz -0.433856 -0.048727 -0.149031 0.318407 -0.759005 0.358097 5C 2px -0.112824 0.087683 -0.244908 -0.710587 0.452899 -0.797869 5C 2py 0.610404 0.006800 -0.040453 -0.336049 1.024268 -0.185570 5C 3pz -0.606205 -0.056126 0.232291 0.578212 -0.456209 0.132080 5C 3px -0.112526 -0.039049 0.160967 -0.974688 0.188669 0.148210 5C 3py 1.061884 -0.047163 -0.242615 -0.595528 0.671452 -0.222092 5C 1dz2 0.010594 0.011156 0.020593 -0.001191 -0.004619 0.004955 5C 1dxz 0.005848 0.004215 0.009151 0.000817 0.015691 -0.004084 5C 1dyz -0.003718 -0.009928 -0.013682 0.003594 -0.003715 -0.005325 5C 1dx2y2 -0.016309 -0.007907 0.022684 0.000037 -0.012809 -0.000444 5C 1dxy -0.016331 -0.012943 0.009506 0.004485 -0.012259 0.011189 5C 2dz2 0.158343 -0.101375 0.104468 0.054027 -0.042681 0.152576 5C 2dxz 0.316749 0.165801 -0.037758 0.050875 0.236874 -0.132774 5C 2dyz -0.202028 0.138569 -0.201658 0.152990 -0.309123 -0.093061 5C 2dx2y2 -0.556473 0.162706 -0.053001 0.009985 -0.342296 -0.208743 5C 2dxy -0.219907 0.045079 0.156769 -0.034115 -0.449121 0.270851 5C 1f0 0.021900 -0.004764 -0.002183 -0.025839 0.034483 -0.008440 5C 1f+1 0.009842 -0.017877 -0.016349 0.024717 -0.007998 0.013254 5C 1f-1 0.000483 -0.007917 0.012744 -0.004800 0.003759 -0.001718 5C 1f+2 0.010307 -0.023421 0.026861 0.004007 0.023549 -0.000219 5C 1f-2 -0.005946 -0.005732 0.007762 0.006836 0.013883 0.001594 5C 1f+3 0.004781 0.019507 0.006861 0.036029 -0.034723 0.011924 5C 1f-3 -0.018505 -0.014177 -0.014877 -0.007015 0.005208 -0.002291 6C 1s -0.006940 -0.004119 0.003313 0.002207 -0.003122 -0.001719 6C 2s -0.023936 -0.010913 0.008783 0.007440 -0.011432 -0.005332 6C 3s 0.352811 0.008512 -0.051600 -0.232507 -0.100755 -0.042830 6C 4s -1.405029 0.298465 0.154986 1.012174 0.764482 0.387453 6C 5s -0.196970 -0.637528 1.056985 0.392824 0.535563 0.359946 6C 1pz 0.031752 0.020056 0.051885 -0.012941 -0.033181 -0.072913 6C 1px 0.038286 0.010484 0.031078 0.029740 0.080518 0.089182 6C 1py -0.066574 -0.012940 0.017398 0.053286 0.034274 0.021303 6C 2pz 0.405701 -0.122590 -0.141616 0.300889 0.766191 0.358410 6C 2px 0.123023 0.075832 -0.252869 -0.701500 -0.460705 -0.553654 6C 2py -0.600317 0.101292 -0.045156 -0.310238 -1.035488 -0.259924 6C 3pz 0.578647 -0.115777 0.232060 0.565038 0.484332 0.066844 6C 3px 0.095572 -0.010909 0.152816 -0.959601 -0.204276 0.183326 6C 3py -1.023623 0.063487 -0.241404 -0.579286 -0.709970 -0.145234 6C 1dz2 0.008663 -0.012900 -0.020686 0.001274 -0.004265 -0.004511 6C 1dxz 0.006533 -0.005415 -0.009280 -0.001339 0.015970 0.004843 6C 1dyz -0.002998 0.011247 0.013731 -0.003584 -0.003867 0.003922 6C 1dx2y2 -0.014304 0.010716 -0.022824 0.000529 -0.012486 -0.002394 6C 1dxy -0.013074 0.015593 -0.009653 -0.004356 -0.012580 -0.012609 6C 2dz2 0.180987 0.077889 -0.105947 -0.056358 -0.043824 -0.135467 6C 2dxz 0.262993 -0.203344 0.039865 -0.054126 0.231794 0.122319 6C 2dyz -0.215342 -0.093799 0.200797 -0.141843 -0.323053 0.026665 6C 2dx2y2 -0.567380 -0.078922 0.053886 0.004228 -0.347099 0.133359 6C 2dxy -0.230368 -0.013786 -0.159337 0.044726 -0.442416 -0.254384 6C 1f0 -0.019719 -0.001177 -0.002507 -0.024710 -0.035341 -0.008274 6C 1f+1 -0.012611 -0.016672 -0.016257 0.024489 0.008952 0.009821 6C 1f-1 -0.002669 -0.007153 0.012753 -0.004627 -0.004198 -0.001550 6C 1f+2 -0.014295 -0.020899 0.026947 0.004894 -0.024335 -0.005533 6C 1f-2 0.005979 -0.006572 0.007855 0.007036 -0.014565 -0.002644 6C 1f+3 -0.000873 0.018903 0.007196 0.035022 0.036130 0.011776 6C 1f-3 0.016492 -0.016378 -0.014888 -0.006872 -0.005792 -0.003228 7C 1s 0.001727 -0.000995 -0.003913 -0.005626 0.002087 0.004400 7C 2s 0.004340 -0.001494 -0.009944 -0.018544 0.005560 0.014392 7C 3s -0.098750 -0.056173 -0.031460 0.340460 -0.254193 -0.363433 7C 4s -0.076022 0.388302 0.409509 -1.150295 1.043445 1.500546 7C 5s -0.353004 -0.384016 -1.005791 0.100808 0.514583 0.231414 7C 1pz 0.059136 -0.005866 0.041405 0.022146 -0.067039 -0.044784 7C 1px 0.006683 -0.000721 0.011022 -0.035686 0.083474 0.067271 7C 1py -0.013466 -0.052095 -0.009753 0.021912 -0.016724 -0.005493 7C 2pz 0.068741 -0.067607 -0.110153 -0.409797 1.239465 0.303406 7C 2px 0.336962 -0.095668 0.022989 0.773965 -0.750433 -0.017230 7C 2py 0.287139 0.088607 -0.012763 0.006313 0.486254 0.196506 7C 3pz -1.442946 -0.216806 -0.096215 -0.537013 -0.026482 0.596256 7C 3px 0.001209 -0.032604 0.009087 0.947320 -0.294006 -0.374419 7C 3py -0.974303 -0.153453 -0.091901 0.035905 -0.173433 0.209618 7C 1dz2 0.005858 -0.027246 -0.004384 -0.002605 0.005004 -0.006781 7C 1dxz 0.008717 -0.014120 -0.003109 -0.000155 0.020365 0.008887 7C 1dyz 0.021773 0.008425 -0.015118 -0.004138 0.017708 0.004836 7C 1dx2y2 -0.009702 -0.005983 0.021659 -0.005858 -0.004434 0.003951 7C 1dxy -0.005098 -0.002619 -0.001037 -0.003560 -0.001109 0.008923 7C 2dz2 0.079465 -0.047335 0.071355 -0.045359 0.175836 0.196422 7C 2dxz -0.131425 -0.124816 -0.040362 0.051468 0.350568 -0.203595 7C 2dyz 0.215299 -0.011864 0.080358 -0.139908 0.425400 0.208096 7C 2dx2y2 0.065559 -0.069334 -0.000048 -0.074229 -0.172937 0.029512 7C 2dxy 0.015872 0.161946 0.056465 -0.057577 0.252976 -0.058017 7C 1f0 0.003592 -0.003923 0.016349 0.004708 -0.002273 0.009038 7C 1f+1 0.000747 -0.016461 0.014848 -0.014989 0.014867 0.016383 7C 1f-1 0.010129 0.000693 0.025271 -0.030450 0.045579 0.028168 7C 1f+2 -0.018609 -0.013488 -0.018380 -0.007942 -0.005182 -0.021525 7C 1f-2 0.005086 0.014523 0.006143 -0.003668 0.015347 0.010905 7C 1f+3 -0.011681 0.003440 0.011018 -0.023880 0.019878 0.003130 7C 1f-3 -0.003355 0.025168 -0.005145 -0.030942 0.014373 0.007375 8C 1s 0.003450 -0.003080 0.005033 -0.007995 -0.008575 -0.002522 8C 2s 0.006994 -0.009107 0.016022 -0.027759 -0.033981 -0.010108 8C 3s -0.034056 0.083419 -0.150274 0.335059 0.495837 0.130064 8C 4s -0.163719 -0.157902 0.289907 -0.885024 -1.684303 -0.366324 8C 5s -1.545930 0.483196 -0.758045 -0.251662 -0.693527 -0.290108 8C 1pz -0.030812 0.016359 -0.191121 -0.034180 -0.112994 -0.018892 8C 1px -0.049591 -0.200794 0.097071 0.039368 -0.043019 -0.008074 8C 1py 0.093913 0.007305 -0.098407 0.031936 0.117233 0.032756 8C 2pz 0.332743 -0.096140 0.712952 0.152901 0.758412 0.133279 8C 2px 0.330741 0.699203 -0.376229 0.030988 0.416695 0.044774 8C 2py -0.667769 0.065048 0.351840 -0.232866 -1.003282 -0.241461 8C 3pz 0.250401 0.082383 -0.366084 0.000438 0.051479 0.040750 8C 3px 0.072321 -0.259618 0.230887 0.203000 0.150751 -0.026035 8C 3py -0.176574 0.049765 -0.331453 -0.138849 -0.245475 -0.102222 8C 1dz2 -0.001062 0.000010 0.009984 -0.008540 -0.006449 -0.002891 8C 1dxz 0.011640 0.025065 -0.002330 0.008168 0.017250 0.002579 8C 1dyz -0.000140 0.013921 -0.031307 0.004128 -0.008071 -0.000959 8C 1dx2y2 -0.010181 0.007411 0.021884 0.009902 -0.003781 0.000897 8C 1dxy -0.010774 0.003622 0.012725 -0.022912 -0.017752 -0.008745 8C 2dz2 0.071443 -0.019866 -0.099060 0.048806 0.093974 0.024676 8C 2dxz -0.099071 0.228439 -0.061393 -0.101294 -0.164240 -0.034697 8C 2dyz 0.233986 0.134235 -0.221264 0.046815 0.374254 0.100298 8C 2dx2y2 0.192331 0.020753 0.129239 0.042052 0.347418 0.079651 8C 2dxy 0.202770 0.027370 0.058851 0.103791 0.329836 0.039895 8C 1f0 -0.000670 0.000755 -0.024755 -0.000640 -0.011540 0.000346 8C 1f+1 0.000622 0.019078 -0.035354 0.000395 -0.003258 -0.002010 8C 1f-1 -0.008287 0.011124 0.035240 -0.005889 -0.000465 -0.002706 8C 1f+2 0.027432 0.011050 -0.002312 -0.019002 0.001492 -0.000865 8C 1f-2 0.020460 -0.007718 0.014411 0.001672 0.006272 0.002210 8C 1f+3 -0.011790 -0.018183 -0.004195 0.004411 -0.006458 -0.000484 8C 1f-3 0.000715 -0.028442 0.007442 -0.004849 -0.006890 -0.004846 9C 1s -0.000596 -0.002978 -0.005300 0.012183 -0.009723 -0.011035 9C 2s -0.004282 -0.009007 -0.016376 0.040893 -0.037086 -0.038842 9C 3s 0.091799 0.088535 0.168149 -0.481355 0.547868 0.468318 9C 4s -0.309027 -0.174557 -0.388653 1.269062 -1.841801 -1.276912 9C 5s 1.619881 0.437972 0.747471 -0.382949 0.244697 -0.179354 9C 1pz 0.003667 -0.096853 -0.052502 0.030453 -0.136846 -0.072763 9C 1px -0.189632 -0.072730 -0.206780 -0.000947 0.035576 -0.016327 9C 1py 0.052815 0.147459 0.021439 0.000484 -0.046513 -0.034255 9C 2pz 0.174450 0.326271 0.133504 -0.237207 1.097620 0.463347 9C 2px 0.709434 0.247223 0.678606 -0.137742 0.013851 0.227886 9C 2py -0.066558 -0.555447 -0.084326 -0.119487 0.584911 0.307246 9C 3pz -0.372471 -0.196814 -0.075709 -0.037051 -0.024394 0.126162 9C 3px -0.371776 -0.190121 -0.342848 -0.115789 0.166476 0.051791 9C 3py -0.103774 0.171561 0.001637 -0.066138 0.068692 0.106280 9C 1dz2 0.013490 0.011723 -0.005177 0.006564 0.007472 -0.005644 9C 1dxz 0.020251 0.019460 0.012348 -0.023994 0.016337 0.023130 9C 1dyz -0.000097 -0.010882 -0.011809 -0.003219 0.016485 0.002720 9C 1dx2y2 -0.010146 0.016697 -0.012189 0.002382 -0.002074 -0.002392 9C 1dxy -0.002878 -0.017765 -0.009434 -0.013113 0.005570 0.014810 9C 2dz2 -0.083376 0.022699 -0.014063 0.055864 -0.309155 -0.108116 9C 2dxz 0.164145 0.154142 0.179006 0.050548 -0.188027 -0.122157 9C 2dyz -0.248559 -0.014907 -0.164257 0.117644 -0.438764 -0.221963 9C 2dx2y2 -0.100194 0.062500 -0.080853 -0.025327 0.190326 0.060340 9C 2dxy -0.076995 -0.184765 -0.075169 0.071118 -0.131214 -0.103327 9C 1f0 0.004217 -0.033647 0.013068 -0.010994 -0.002634 0.005134 9C 1f+1 0.012474 0.006786 0.017968 -0.000266 0.003140 0.006207 9C 1f-1 -0.011202 0.007616 -0.010637 -0.014292 0.017811 0.006069 9C 1f+2 -0.020219 -0.018043 -0.012527 0.016793 -0.004954 -0.009711 9C 1f-2 -0.014887 -0.011754 -0.018066 0.000589 -0.001585 -0.002362 9C 1f+3 -0.006454 -0.020419 -0.012558 0.014963 -0.004317 -0.002112 9C 1f-3 0.025785 0.020552 0.017671 -0.006752 -0.001543 0.007155 10H 1s -0.065855 0.018183 0.051425 -0.021604 0.017350 0.025797 10H 2s 0.583604 -0.202333 -0.521016 0.193392 -0.208094 -0.113902 10H 3s -0.427398 0.225996 0.495506 -0.209555 0.102970 0.107759 10H 1pz -0.003306 0.051991 -0.023711 -0.096427 -0.112646 0.089408 10H 1px -0.098711 0.058770 0.085577 -0.065918 -0.024188 0.067386 10H 1py -0.023269 -0.042981 0.028549 -0.036203 -0.074729 0.060112 11H 1s 0.043560 -0.092659 -0.057766 0.021822 0.026513 -0.035988 11H 2s -0.422787 0.642437 0.497027 0.051749 -0.040736 0.019100 11H 3s 0.233223 -0.434087 -0.239605 -0.086807 -0.078453 0.032766 11H 1pz -0.033557 -0.033607 0.032937 0.008523 -0.065664 0.015801 11H 1px -0.040387 0.052554 0.051225 -0.034977 -0.025178 0.047591 11H 1py 0.035245 -0.158585 -0.005097 -0.045384 -0.085029 0.055190 12H 1s 0.023308 0.061907 -0.013992 0.007193 -0.000544 -0.026691 12H 2s -0.277809 -0.471733 0.053915 0.160374 0.104288 -0.091504 12H 3s 0.037655 0.311494 0.026122 -0.112894 -0.156666 0.077399 12H 1pz 0.000415 0.150045 -0.033735 -0.016167 -0.067610 0.019286 12H 1px -0.048735 0.023704 0.011493 0.029205 0.010903 0.002740 12H 1py -0.019964 -0.038448 0.000182 0.006184 -0.024839 0.006515 13H 1s 0.016050 0.062948 -0.062857 -0.001906 0.011853 0.002298 13H 2s -0.290319 -0.546588 0.579408 0.027133 -0.170087 0.015768 13H 3s 0.172876 0.433748 -0.533241 0.017725 0.065570 -0.003679 13H 1pz -0.031597 -0.017029 0.084984 0.013045 -0.056175 0.017077 13H 1px 0.024681 0.085127 -0.073362 0.032216 -0.038189 0.031820 13H 1py 0.060838 -0.006129 0.098228 -0.117678 0.113205 -0.042034 14H 1s 0.013126 -0.074477 -0.016729 -0.010172 0.047440 -0.009211 14H 2s -0.108168 0.559848 0.143709 -0.148961 -0.215891 -0.030057 14H 3s 0.129984 -0.225455 -0.178390 0.035557 0.099156 -0.020536 14H 1pz -0.034020 0.005590 0.037523 0.028647 -0.050842 -0.008962 14H 1px -0.018364 0.055147 -0.012684 -0.041724 -0.024103 0.010365 14H 1py 0.025766 0.074185 0.126206 0.023670 0.036320 0.003214 15H 1s 0.040006 -0.017256 0.104878 -0.011321 0.013295 -0.015055 15H 2s -0.265425 0.165771 -0.689542 -0.093708 0.030257 0.033158 15H 3s 0.344219 -0.117903 0.555138 0.090219 -0.075158 -0.003395 15H 1pz 0.014978 0.018307 0.189662 0.029050 -0.071510 -0.006030 15H 1px -0.032390 0.025245 0.030994 0.098802 -0.060252 0.032142 15H 1py 0.042500 -0.037877 -0.020262 0.005251 0.060494 -0.001721 16H 1s 0.237535 0.060852 0.041460 0.033532 -0.148751 -0.214826 16H 2s -1.426955 -0.425925 -0.386256 -0.245747 0.569653 0.684529 16H 3s 0.191662 0.149895 0.084727 0.076590 -0.217872 -0.013569 16H 1pz -0.134822 -0.039870 -0.017902 -0.080155 0.207806 0.044032 16H 1px -0.039791 -0.016186 -0.154635 -0.104278 0.196911 0.007462 16H 1py -0.128273 -0.038371 -0.044185 0.147615 -0.112164 0.310370 17H 1s 0.085268 -0.049848 -0.045649 -0.073873 -0.091700 -0.243596 17H 2s -0.404237 0.413405 0.195740 0.377189 0.419369 0.765297 17H 3s -0.062587 -0.107085 -0.112034 -0.113416 -0.001604 -0.163507 17H 1pz 0.066480 -0.064739 0.013715 -0.190972 0.181013 -0.306191 17H 1px 0.011999 0.082228 -0.098348 0.030050 -0.081102 0.033809 17H 1py -0.031032 0.094715 -0.009913 -0.087570 0.214282 0.113228 18H 1s 0.093630 0.022404 0.048131 0.075442 -0.081366 0.221535 18H 2s -0.476665 -0.262067 -0.215615 -0.382955 0.372560 -0.688269 18H 3s -0.040475 0.099548 0.119403 0.112445 0.006752 0.120550 18H 1pz -0.077627 -0.048506 0.006152 -0.179784 -0.193686 -0.240603 18H 1px -0.005050 0.087198 -0.096310 0.027257 0.088755 0.029001 18H 1py 0.037641 0.082226 -0.011869 -0.084336 -0.218045 0.137040 19H 1s 0.224810 -0.096282 -0.044586 -0.029147 -0.143914 0.204747 19H 2s -1.358145 0.635028 0.402717 0.230334 0.550777 -0.628474 19H 3s 0.164054 -0.167322 -0.093017 -0.067851 -0.222441 0.028888 19H 1pz 0.118670 -0.056978 -0.022370 -0.074850 -0.214887 0.062153 19H 1px 0.037737 -0.020418 -0.159156 -0.096319 -0.198570 0.045242 19H 1py 0.130534 -0.058564 -0.044109 0.137414 0.121118 0.255358 20H 1s 0.034830 0.007997 -0.103490 0.010703 0.015226 0.015307 20H 2s -0.223772 -0.100741 0.679434 0.097569 0.028615 -0.040817 20H 3s 0.316664 0.052601 -0.548550 -0.090899 -0.074280 -0.000932 20H 1pz -0.005304 0.023127 0.188473 0.028096 0.071684 0.003973 20H 1px 0.032813 0.019660 0.031196 0.095415 0.063061 0.029883 20H 1py -0.043998 -0.029499 -0.021233 0.007316 -0.060650 -0.013809 21H 1s 0.031159 0.071978 0.015685 0.007549 0.048762 0.012521 21H 2s -0.255044 -0.542832 -0.130991 0.164163 -0.212821 -0.002891 21H 3s 0.195090 0.213872 0.169315 -0.044616 0.098548 0.025929 21H 1pz 0.035460 0.000548 0.037156 0.025827 0.051419 -0.001930 21H 1px 0.032435 0.052664 -0.014867 -0.042512 0.023627 0.015166 21H 1py -0.008989 0.079238 0.125636 0.022602 -0.037574 -0.007841 22H 1s 0.003759 -0.062012 0.063158 0.001948 0.011716 -0.000841 22H 2s -0.181831 0.564331 -0.581929 -0.021899 -0.171447 -0.037592 22H 3s 0.099658 -0.442387 0.533512 -0.018007 0.063569 0.025566 22H 1pz 0.028228 -0.019277 0.084863 0.012399 0.057299 0.021956 22H 1px -0.008377 0.085794 -0.073923 0.032262 0.040230 0.031020 22H 1py -0.060710 0.006107 0.096202 -0.113889 -0.118895 -0.042145 23H 1s 0.005764 -0.064803 0.016240 -0.008452 -0.000180 0.034828 23H 2s -0.135025 0.504080 -0.068691 -0.158715 0.101093 0.030855 23H 3s -0.047172 -0.312790 -0.014646 0.118278 -0.156149 -0.044679 23H 1pz 0.027629 0.145085 -0.035843 -0.019885 0.069847 0.027947 23H 1px 0.044661 0.016703 0.011673 0.026328 -0.008248 0.008211 23H 1py 0.010083 -0.041449 0.001910 0.005865 0.024688 0.016436 24H 1s 0.056770 0.083279 0.056927 -0.021943 0.025966 0.036440 24H 2s -0.520366 -0.562249 -0.488355 -0.058734 -0.037923 -0.023979 24H 3s 0.283290 0.379643 0.232333 0.094474 -0.075596 -0.029805 24H 1pz 0.027311 -0.040451 0.032327 0.006099 0.065216 0.027060 24H 1px 0.047845 0.046443 0.051273 -0.032152 0.022835 0.042807 24H 1py -0.057281 -0.150861 -0.002668 -0.047297 0.082698 0.060568 25H 1s -0.063355 -0.009994 -0.052320 0.022001 0.016930 -0.023157 25H 2s 0.562786 0.136161 0.527432 -0.195295 -0.210760 0.085784 25H 3s -0.426354 -0.169899 -0.499884 0.211163 0.109114 -0.091978 25H 1pz 0.008600 0.047075 -0.023786 -0.099219 0.111842 0.092954 25H 1px 0.098112 0.046261 0.086395 -0.067939 0.023519 0.063843 25H 1py 0.014982 -0.046460 0.031037 -0.041694 0.074762 0.065162 26O 1s -0.001256 -0.000205 0.002312 0.002344 0.002714 -0.000814 26O 2s -0.002032 -0.000953 0.005387 0.005494 0.005564 -0.002580 26O 3s -0.015373 0.007240 -0.002687 0.015739 0.023913 0.001440 26O 4s 0.101225 -0.042693 -0.175202 -0.174001 -0.190513 0.045220 26O 5s -0.169167 0.356096 0.744822 -0.930759 -0.727629 0.365009 26O 1pz 0.026354 -0.019564 -0.006174 -0.022916 0.003823 -0.021606 26O 1px 0.006773 -0.020033 -0.020269 0.047051 0.046103 -0.008759 26O 1py 0.008956 0.009803 0.002020 0.019243 0.010814 -0.005575 26O 2pz 0.038848 -0.026217 -0.057237 0.000470 -0.013935 -0.023425 26O 2px 0.043614 -0.034094 -0.087609 0.152210 0.205158 -0.097779 26O 2py 0.035632 -0.031800 -0.061880 0.053567 0.060490 -0.048626 26O 3pz -0.452593 0.065548 0.518963 0.674958 0.050514 -0.455465 26O 3px -0.675361 -0.032075 0.321279 0.320198 -0.028892 0.051468 26O 3py -0.342353 0.324148 0.293144 0.511038 0.095484 -0.317953 26O 1dz2 0.002214 -0.000415 -0.000182 -0.002078 0.001208 0.001969 26O 1dxz -0.003935 -0.001759 -0.000217 0.002304 -0.000908 -0.000020 26O 1dyz -0.001002 -0.000983 -0.000808 -0.000042 0.002475 0.001896 26O 1dx2y2 -0.002469 -0.001821 0.000496 0.001628 0.001113 -0.001337 26O 1dxy -0.003239 0.000714 -0.001755 0.002976 0.000931 -0.000791 26O 2dz2 -0.080711 -0.303020 0.107836 0.148162 0.058820 -0.013743 26O 2dxz 0.023892 -0.059135 -0.009447 -0.209458 -0.171519 0.167028 26O 2dyz 0.021789 0.180428 -0.049092 0.062901 0.021147 -0.041258 26O 2dx2y2 0.006790 -0.086783 0.138587 0.025185 -0.058245 -0.050049 26O 2dxy -0.017286 -0.132931 -0.033840 -0.126425 -0.117916 0.044474 26O 1f0 -0.001599 -0.000474 0.000963 -0.001582 -0.004658 0.003475 26O 1f+1 0.001267 0.002046 0.001945 -0.008135 -0.006449 0.007675 26O 1f-1 0.001707 0.000934 0.001084 -0.001505 -0.000775 -0.002062 26O 1f+2 0.002258 0.001515 0.001451 0.003185 0.003265 -0.003590 26O 1f-2 0.001275 -0.000658 -0.000305 -0.000430 0.002994 -0.001351 26O 1f+3 0.000805 -0.001829 0.001995 -0.002387 -0.002088 0.000523 26O 1f-3 -0.001146 -0.000403 0.001842 -0.008378 -0.008712 0.008210 27O 1s -0.000135 0.003373 -0.001444 -0.001812 0.003408 0.000558 27O 2s 0.000178 0.007766 -0.002201 -0.003768 0.007615 0.003881 27O 3s -0.022089 0.004665 -0.027311 -0.024236 0.009979 -0.067491 27O 4s 0.114473 -0.276687 0.240311 0.186306 -0.156586 0.332003 27O 5s 1.321850 0.531400 -0.214048 0.810821 -0.053183 0.393981 27O 1pz -0.012532 -0.027315 0.011551 0.008257 0.003692 -0.012610 27O 1px 0.001400 -0.011042 0.013947 -0.058060 0.042897 -0.027662 27O 1py 0.002060 -0.006415 -0.020645 -0.011260 0.012121 0.022574 27O 2pz -0.029098 -0.017867 0.029771 0.026380 -0.039566 0.003460 27O 2px -0.155752 -0.000589 -0.053917 -0.122148 0.114383 -0.278644 27O 2py 0.083647 0.037285 -0.024250 0.005837 0.027883 0.072935 27O 3pz 0.122337 0.043290 -0.285081 -0.445550 0.126218 0.002905 27O 3px -0.756603 0.253905 -0.300912 -0.565124 -0.109636 -0.053812 27O 3py 0.095185 -0.458407 0.172737 0.914041 -0.164440 -0.006044 27O 1dz2 0.002220 -0.000216 0.001083 0.001529 -0.000308 0.001535 27O 1dxz -0.002132 -0.001158 -0.001197 -0.000261 -0.000211 0.001077 27O 1dyz -0.001397 0.001687 -0.000750 -0.001196 -0.003867 -0.002166 27O 1dx2y2 -0.002678 -0.000465 -0.001551 -0.003994 -0.000281 -0.003290 27O 1dxy 0.006059 -0.000238 -0.001753 0.002818 0.000523 -0.001134 27O 2dz2 -0.027457 -0.221270 -0.240543 -0.051484 0.074334 -0.044400 27O 2dxz 0.004637 0.024146 -0.063792 0.143961 -0.086317 0.029897 27O 2dyz 0.011488 0.026266 0.139148 0.165097 -0.030562 -0.015384 27O 2dx2y2 0.033347 -0.084659 -0.151026 0.115092 -0.111558 0.051092 27O 2dxy 0.016111 0.152202 -0.047697 -0.225845 0.102915 -0.101188 27O 1f0 -0.000993 -0.001145 -0.001053 0.001865 -0.001769 0.002501 27O 1f+1 0.001295 0.003467 0.000182 0.006623 -0.006786 0.007167 27O 1f-1 0.000114 -0.001492 0.001240 -0.000552 0.002531 -0.000481 27O 1f+2 0.000021 0.000418 0.002205 0.002147 -0.000571 0.003139 27O 1f-2 -0.000663 -0.000803 0.000225 -0.003543 0.000616 0.001110 27O 1f+3 0.003179 -0.001077 0.000602 0.007523 -0.004357 0.005978 27O 1f-3 0.001444 0.002266 -0.002670 -0.004967 0.005904 -0.007284 28O 1s -0.000436 0.000895 0.003250 -0.000024 0.003351 -0.002602 28O 2s -0.001992 0.002380 0.007990 0.000285 0.013081 -0.005932 28O 3s 0.029073 -0.006808 -0.012808 -0.009415 -0.109931 -0.007042 28O 4s -0.139182 -0.046193 -0.173303 0.039697 0.331118 0.133516 28O 5s -0.540222 0.431968 0.868201 0.409083 0.642421 0.269155 28O 1pz 0.015933 0.003624 -0.013094 0.008162 -0.026251 -0.013841 28O 1px -0.019531 0.009040 0.009581 0.042403 -0.005488 0.002411 28O 1py 0.009471 -0.041349 0.011584 0.029567 0.001229 -0.001063 28O 2pz 0.089097 -0.043061 -0.091051 0.023086 -0.140272 -0.035898 28O 2px -0.118077 0.024876 0.059374 0.010161 0.154186 0.054356 28O 2py 0.016224 -0.011794 -0.031254 0.019555 -0.019762 -0.001546 28O 3pz -0.102638 0.170364 0.512226 -0.756395 -0.401585 0.154148 28O 3px 0.149273 0.047626 0.156564 0.004923 0.511063 0.420277 28O 3py -0.180389 0.167009 0.134688 -0.493728 -0.155838 0.194679 28O 1dz2 -0.001726 -0.000221 0.001496 0.001223 -0.000622 -0.003502 28O 1dxz 0.001031 0.001594 0.000885 0.003936 0.005195 -0.000200 28O 1dyz -0.001833 -0.001018 -0.001079 0.002161 0.001300 -0.004703 28O 1dx2y2 0.000694 0.001153 -0.001633 -0.002070 -0.002858 0.001758 28O 1dxy 0.002018 -0.000611 0.000541 0.001358 0.002239 0.000202 28O 2dz2 -0.003186 -0.167880 0.076014 0.135291 0.132378 -0.095741 28O 2dxz 0.086450 0.016389 0.090223 -0.141075 -0.050420 -0.001485 28O 2dyz -0.022837 0.129771 -0.037535 -0.056708 0.052587 0.017143 28O 2dx2y2 0.039069 0.011779 0.158930 -0.080446 -0.033479 0.160648 28O 2dxy -0.007330 -0.105709 0.035287 -0.203250 -0.035336 0.118231 28O 1f0 -0.002448 -0.004499 0.000898 0.002149 0.002314 -0.000557 28O 1f+1 -0.003197 -0.001746 0.000784 0.000562 0.005337 -0.001684 28O 1f-1 0.000976 0.000168 0.001380 -0.000437 0.000178 0.003135 28O 1f+2 0.002327 -0.002392 -0.002566 -0.002165 -0.006115 -0.000308 28O 1f-2 -0.002845 0.001151 0.001170 -0.002004 0.002386 0.002179 28O 1f+3 -0.000154 -0.002464 -0.002195 -0.002072 -0.002826 0.000103 28O 1f-3 -0.002604 0.003117 -0.000950 0.001569 -0.000606 -0.002749 29O 1s 0.002190 0.001327 0.000409 0.000177 -0.006614 0.001933 29O 2s 0.012172 0.003564 0.000627 -0.000358 -0.021571 -0.003622 29O 3s -0.183000 -0.009803 0.009896 0.021385 0.142948 0.227288 29O 4s 0.679040 -0.041577 -0.092237 -0.107692 -0.139337 -1.160839 29O 5s -0.276558 0.139067 0.347311 0.093657 -0.901719 1.059027 29O 1pz 0.035950 0.031724 0.014130 0.047473 -0.046711 0.029012 29O 1px 0.018128 -0.005180 0.042214 0.010528 -0.016261 -0.014805 29O 1py 0.057738 -0.017501 0.021687 -0.021913 -0.042230 -0.131082 29O 2pz -0.184442 -0.099176 -0.067050 -0.083651 0.100784 -0.000532 29O 2px 0.032348 -0.013389 -0.050090 -0.034397 -0.046720 -0.060675 29O 2py -0.183972 -0.008280 0.048786 0.031132 0.130350 0.299795 29O 3pz -0.594653 -0.301537 -0.256605 0.008517 -0.231649 0.445906 29O 3px 0.610119 -0.272699 0.058489 -0.101201 0.080614 -0.903216 29O 3py -0.157908 0.096418 -0.286559 0.035454 0.215037 -0.092999 29O 1dz2 -0.001969 -0.002749 0.000314 -0.001214 0.000191 -0.002662 29O 1dxz 0.000860 0.003503 0.005223 -0.000292 -0.006078 -0.001822 29O 1dyz -0.001143 0.001612 -0.001540 -0.002632 0.002328 -0.002173 29O 1dx2y2 0.002415 0.003353 -0.002701 0.000208 0.003780 0.004147 29O 1dxy 0.002135 -0.001416 0.003855 -0.001957 0.001738 -0.001552 29O 2dz2 0.480406 0.069205 0.079080 0.116437 -0.157429 -0.222022 29O 2dxz 0.160278 -0.085062 -0.006243 -0.178971 -0.037064 -0.258410 29O 2dyz 0.306499 0.178094 0.083337 0.150069 -0.087628 -0.005613 29O 2dx2y2 -0.187124 0.012025 -0.057646 -0.022256 0.070105 0.219111 29O 2dxy -0.356473 0.031640 0.166826 0.065503 -0.004689 0.292857 29O 1f0 -0.015382 -0.000513 -0.000376 0.003506 0.015442 0.026533 29O 1f+1 0.004817 -0.001001 -0.000178 0.000215 -0.006001 -0.010230 29O 1f-1 -0.025463 -0.005291 -0.002637 -0.001605 0.016988 0.027348 29O 1f+2 0.010370 0.003592 0.003325 0.000588 -0.011454 -0.011855 29O 1f-2 -0.004149 0.006255 0.003823 0.007253 0.002717 0.021820 29O 1f+3 0.005216 -0.002911 -0.001444 -0.001955 -0.007359 -0.013276 29O 1f-3 0.000580 -0.001549 -0.005098 -0.002819 -0.002235 -0.008200 30O 1s -0.000974 0.001859 -0.000090 -0.000874 0.003061 -0.001662 30O 2s -0.000215 0.004462 -0.000331 -0.002130 0.011783 -0.005355 30O 3s -0.050263 -0.006901 0.006164 0.007171 -0.098299 0.042746 30O 4s 0.263378 -0.102321 -0.014036 0.014013 0.309348 -0.148254 30O 5s 0.986593 0.649321 -0.473449 -0.607535 0.701088 -0.608714 30O 1pz 0.006579 0.014989 0.031602 -0.008255 -0.022447 -0.001627 30O 1px -0.013309 0.031018 -0.011262 -0.047140 -0.027304 -0.002717 30O 1py 0.021189 0.010595 -0.006909 0.017438 0.008732 0.003408 30O 2pz -0.068350 -0.067775 0.080503 0.005514 -0.088646 0.136083 30O 2px 0.061049 0.069903 -0.088367 -0.030094 0.113559 -0.170493 30O 2py 0.085781 0.075883 -0.093252 0.000618 0.102181 -0.152054 30O 3pz -0.776461 0.409053 -0.574163 0.483901 -0.498479 -0.185571 30O 3px 0.650374 0.048008 -0.001011 0.192646 0.475828 -0.038090 30O 3py 0.848685 -0.440851 0.508555 -0.662644 0.556933 0.182203 30O 1dz2 -0.001713 0.001496 -0.000692 0.000129 -0.001398 -0.000793 30O 1dxz 0.004143 0.000881 0.001229 -0.003581 0.003101 -0.001997 30O 1dyz 0.005290 -0.000512 -0.000934 0.001481 0.001422 0.002089 30O 1dx2y2 0.004304 -0.000840 0.000170 0.001982 -0.000036 0.004250 30O 1dxy -0.005285 -0.000507 0.000703 0.003583 -0.004793 0.003050 30O 2dz2 0.013227 -0.123582 -0.165166 -0.135417 0.088453 -0.015193 30O 2dxz -0.013131 0.116052 -0.085044 0.041795 -0.000744 0.006896 30O 2dyz -0.021886 0.003438 0.120572 -0.017695 -0.074756 0.011369 30O 2dx2y2 -0.045065 0.056589 -0.178839 0.190653 -0.094747 0.040178 30O 2dxy 0.097417 0.067213 0.028645 -0.193334 0.006271 -0.048141 30O 1f0 0.001158 -0.000865 -0.000935 -0.002914 0.003396 -0.007058 30O 1f+1 -0.000996 -0.002535 -0.002238 -0.001413 0.001881 -0.002115 30O 1f-1 -0.001033 0.003854 0.000691 0.000596 -0.000423 -0.001144 30O 1f+2 -0.002331 -0.000009 0.001362 0.002044 -0.002530 0.000030 30O 1f-2 -0.002920 -0.001879 0.003313 0.001735 -0.006703 0.006549 30O 1f+3 0.000913 -0.000525 -0.000229 -0.000817 0.001303 -0.000970 30O 1f-3 -0.003692 -0.003402 -0.001467 0.005161 -0.001999 0.005002 31O 1s -0.001032 -0.001604 0.000115 0.000829 0.003092 0.001613 31O 2s -0.000391 -0.004120 0.000429 0.001931 0.011783 0.004828 31O 3s -0.048305 0.012780 -0.007065 -0.005099 -0.096844 -0.032931 31O 4s 0.261197 0.067674 0.016787 -0.021788 0.302855 0.114039 31O 5s 0.880579 -0.774012 0.480874 0.591950 0.696570 0.437824 31O 1pz -0.001496 0.017542 0.031196 -0.009313 0.021394 -0.005793 31O 1px 0.017469 0.028493 -0.011343 -0.048448 0.027515 0.003657 31O 1py -0.018066 0.012634 -0.006814 0.017095 -0.007569 0.005321 31O 2pz 0.056784 -0.071663 0.081041 0.004347 0.086600 0.118005 31O 2px -0.047815 0.072252 -0.089864 -0.028568 -0.110995 -0.137660 31O 2py -0.073184 0.081871 -0.093728 0.001996 -0.100049 -0.135873 31O 3pz 0.826011 0.258543 -0.567607 0.460485 0.514010 -0.185768 31O 3px -0.620989 0.153730 -0.005420 0.205989 -0.460630 -0.018796 31O 3py -0.854494 -0.283698 0.500050 -0.634550 -0.576074 0.209616 31O 1dz2 -0.002156 -0.001180 0.000725 -0.000048 -0.001422 0.000537 31O 1dxz 0.003908 -0.001605 -0.001206 0.003497 0.003209 0.001908 31O 1dyz 0.005324 -0.000464 0.000922 -0.001578 0.001298 -0.002262 31O 1dx2y2 0.004219 0.000075 -0.000177 -0.002021 -0.000195 -0.004089 31O 1dxy -0.004865 0.001395 -0.000749 -0.003461 -0.004853 -0.003040 31O 2dz2 0.022148 0.121174 0.165507 0.129640 0.094085 0.013423 31O 2dxz -0.054499 -0.109085 0.084994 -0.041160 0.000325 0.006730 31O 2dyz -0.013174 -0.002658 -0.121072 0.018799 -0.069814 0.003396 31O 2dx2y2 -0.062573 -0.046834 0.178007 -0.187719 -0.106673 -0.034256 31O 2dxy 0.066742 -0.080702 -0.027852 0.192910 0.011440 0.024634 31O 1f0 -0.001453 -0.000786 -0.000960 -0.002858 -0.003436 -0.006054 31O 1f+1 0.000472 -0.002773 -0.002224 -0.001317 -0.001935 -0.001752 31O 1f-1 0.001854 0.003498 0.000672 0.000492 0.000455 -0.000779 31O 1f+2 0.002482 -0.000443 0.001398 0.001917 0.002552 -0.000072 31O 1f-2 0.002580 -0.002109 0.003384 0.001578 0.006653 0.005235 31O 1f+3 -0.000993 -0.000457 -0.000269 -0.000796 -0.001361 -0.000638 31O 1f-3 0.002705 -0.003859 -0.001399 0.005135 0.002127 0.003957 32O 1s 0.002226 -0.001832 -0.000412 0.000024 -0.006529 -0.002931 32O 2s 0.012152 -0.006123 -0.000647 0.000980 -0.021071 0.000443 32O 3s -0.180076 0.045314 -0.009541 -0.024928 0.135108 -0.207854 32O 4s 0.662113 -0.085390 0.090879 0.108394 -0.109794 1.149255 32O 5s -0.243993 -0.096776 -0.345961 -0.063997 -0.909768 -1.202141 32O 1pz -0.028808 0.034135 0.015928 0.045703 0.048895 0.021333 32O 1px -0.017270 -0.003706 0.042472 0.009784 0.014928 -0.017935 32O 1py -0.060303 -0.005358 0.022348 -0.021021 0.038762 -0.123282 32O 2pz 0.158340 -0.113611 -0.073875 -0.080463 -0.101600 0.003509 32O 2px -0.039943 0.001353 -0.051933 -0.035588 0.044875 -0.047701 32O 2py 0.184068 -0.048195 0.046575 0.031991 -0.124053 0.280458 32O 3pz 0.550909 -0.378535 -0.257898 -0.003012 0.250849 0.392508 32O 3px -0.630287 -0.141647 0.056332 -0.093101 -0.111366 -0.953437 32O 3py 0.186332 0.052089 -0.288902 0.040551 -0.200722 -0.113127 32O 1dz2 -0.001697 0.002972 -0.000275 0.001149 0.000210 0.001871 32O 1dxz 0.000561 -0.003491 -0.005297 0.000485 -0.005974 0.001636 32O 1dyz -0.001105 -0.001459 0.001569 0.002533 0.002503 0.001394 32O 1dx2y2 0.001866 -0.003697 0.002685 -0.000297 0.003483 -0.003352 32O 1dxy 0.002412 0.000881 -0.003859 0.001918 0.001879 0.001172 32O 2dz2 0.457239 -0.138259 -0.078218 -0.105078 -0.149254 0.222094 32O 2dxz 0.176426 0.040687 0.014780 0.180597 -0.018257 0.240789 32O 2dyz 0.286954 -0.214608 -0.095152 -0.149151 -0.098104 0.031958 32O 2dx2y2 -0.185055 0.021911 0.063726 0.025232 0.068336 -0.215058 32O 2dxy -0.363726 0.054994 -0.170131 -0.056526 -0.016958 -0.278069 32O 1f0 0.013635 -0.002911 -0.000271 0.004019 -0.013596 0.023022 32O 1f+1 -0.005353 -0.000065 -0.000306 -0.000272 0.006172 -0.010484 32O 1f-1 0.024643 -0.009271 -0.002817 -0.000808 -0.016686 0.027432 32O 1f+2 -0.010633 0.005331 0.003429 0.000088 0.011725 -0.012266 32O 1f-2 0.004840 0.004505 0.004308 0.007352 -0.001475 0.019222 32O 1f+3 -0.005638 -0.001341 -0.001280 -0.001772 0.006817 -0.011025 32O 1f-3 -0.000815 -0.000974 -0.005341 -0.002818 0.001753 -0.006892 33O 1s -0.000485 -0.000850 -0.003239 -0.000121 0.003447 0.002868 33O 2s -0.002146 -0.002159 -0.007950 -0.000867 0.013263 0.006543 33O 3s 0.030181 0.003544 0.012438 0.014387 -0.108893 0.007509 33O 4s -0.139445 0.063320 0.173489 -0.053885 0.320993 -0.142349 33O 5s -0.588432 -0.404593 -0.854776 -0.443449 0.624439 -0.246257 33O 1pz -0.012921 0.006393 -0.013412 0.007035 0.025944 -0.015253 33O 1px 0.019876 0.005540 0.009536 0.042718 0.005975 0.009458 33O 1py -0.017594 -0.039250 0.011629 0.029195 -0.000102 0.003205 33O 2pz -0.093671 -0.034576 -0.090189 0.016147 0.139655 -0.033633 33O 2px 0.120202 0.010512 0.058912 0.018072 -0.151160 0.063731 33O 2py -0.017880 -0.011239 -0.031243 0.018526 0.020821 0.004428 33O 3pz 0.101085 0.131501 0.519203 -0.766227 0.372773 0.159663 33O 3px -0.121330 0.096563 0.149875 0.027800 -0.499536 0.378143 33O 3py 0.162480 0.135061 0.139183 -0.496864 0.144209 0.180764 33O 1dz2 -0.001828 0.000574 -0.001496 -0.001211 -0.000507 0.003352 33O 1dxz 0.000749 -0.001940 -0.000843 -0.004195 0.005046 0.000549 33O 1dyz -0.001503 0.001358 0.001025 -0.002165 0.001302 0.004803 33O 1dx2y2 0.000469 -0.001216 0.001624 0.002189 -0.002864 -0.001551 33O 1dxy 0.001849 0.000137 -0.000513 -0.001470 0.002167 0.000233 33O 2dz2 0.012405 0.165758 -0.075107 -0.139643 0.130660 0.082432 33O 2dxz 0.069107 -0.027542 -0.091036 0.144141 -0.045078 0.018796 33O 2dyz -0.037916 -0.124792 0.037439 0.052788 0.054403 -0.013655 33O 2dx2y2 0.017854 -0.015601 -0.157969 0.081316 -0.032145 -0.170846 33O 2dxy 0.029357 0.104448 -0.035937 0.206127 -0.032995 -0.116065 33O 1f0 0.001383 -0.004776 0.000880 0.002211 -0.002243 -0.000120 33O 1f+1 0.002780 -0.002138 0.000771 0.000778 -0.005331 -0.000982 33O 1f-1 -0.000983 0.000435 0.001348 -0.000507 -0.000164 0.003048 33O 1f+2 -0.002831 -0.002165 -0.002499 -0.002473 0.006047 -0.000745 33O 1f-2 0.002850 0.000666 0.001175 -0.001901 -0.002421 0.002259 33O 1f+3 -0.000538 -0.002477 -0.002142 -0.002237 0.002763 -0.000121 33O 1f-3 0.003320 0.002636 -0.000977 0.001565 0.000609 -0.002770 34O 1s -0.000439 -0.003318 0.001473 0.001725 0.003419 -0.000109 34O 2s -0.000497 -0.007709 0.002250 0.003551 0.007633 -0.001878 34O 3s -0.022852 -0.001709 0.027800 0.024546 0.010531 0.046400 34O 4s 0.144892 0.256647 -0.243829 -0.186310 -0.158317 -0.257276 34O 5s 1.227737 -0.683190 0.209883 -0.810885 -0.069861 -0.268033 34O 1pz 0.005270 -0.028667 0.011292 0.008425 -0.003621 -0.010873 34O 1px -0.001734 -0.010326 0.013297 -0.056586 -0.045906 -0.023508 34O 1py -0.004725 -0.006244 -0.020657 -0.009953 -0.011325 0.018492 34O 2pz 0.026242 -0.022507 0.030304 0.025265 0.039707 0.001478 34O 2px 0.155196 -0.020829 -0.055594 -0.121891 -0.117072 -0.232674 34O 2py -0.078510 0.048402 -0.024002 0.007663 -0.027269 0.063824 34O 3pz -0.125808 0.068104 -0.286606 -0.439782 -0.139418 -0.003942 34O 3px 0.744514 0.147345 -0.304022 -0.571034 0.104527 0.073961 34O 3py -0.141702 -0.441632 0.174490 0.908160 0.193156 -0.057938 34O 1dz2 0.002247 -0.000117 -0.001112 -0.001552 -0.000355 -0.001076 34O 1dxz -0.001879 0.001463 0.001205 0.000249 -0.000287 -0.001116 34O 1dyz -0.001666 -0.001384 0.000731 0.001351 -0.003837 0.001765 34O 1dx2y2 -0.002511 0.000857 0.001582 0.004017 -0.000180 0.002525 34O 1dxy 0.005845 -0.000677 0.001728 -0.002874 0.000482 0.001683 34O 2dz2 0.014740 0.218571 0.243072 0.050013 0.074582 0.038137 34O 2dxz -0.017590 -0.021111 0.063980 -0.140139 -0.092600 -0.028032 34O 2dyz 0.006391 -0.026295 -0.140377 -0.165121 -0.033619 0.007579 34O 2dx2y2 0.041253 0.080762 0.151129 -0.111032 -0.116098 -0.038728 34O 2dxy -0.019632 -0.153384 0.048978 0.223778 0.112119 0.082047 34O 1f0 0.000810 -0.001290 -0.001048 0.001823 0.001895 0.002648 34O 1f+1 -0.000418 0.003424 0.000236 0.006433 0.007024 0.006000 34O 1f-1 -0.000616 -0.001404 0.001244 -0.000437 -0.002551 -0.000199 34O 1f+2 0.000022 0.000459 0.002201 0.002139 0.000625 0.003050 34O 1f-2 0.000332 -0.000767 0.000216 -0.003476 -0.000734 0.000887 34O 1f+3 -0.003525 -0.000673 0.000638 0.007430 0.004600 0.004565 34O 1f-3 -0.000779 0.002545 -0.002713 -0.004879 -0.006139 -0.006402 35O 1s -0.001060 0.000297 -0.002290 -0.002422 0.002711 0.001126 35O 2s -0.001570 0.000854 -0.005292 -0.005557 0.005645 0.003802 35O 3s -0.014906 -0.000747 0.001712 -0.018718 0.021613 -0.012903 35O 4s 0.089440 0.012959 0.179720 0.190536 -0.181964 -0.002397 35O 5s -0.205343 -0.381996 -0.748116 0.965403 -0.676834 -0.249212 35O 1pz -0.030224 -0.016029 -0.006336 -0.021800 -0.005983 -0.015759 35O 1px -0.009444 -0.018842 -0.020429 0.049298 -0.044396 -0.009695 35O 1py -0.003994 0.010334 0.002390 0.020521 -0.010090 -0.007156 35O 2pz -0.040598 -0.022371 -0.056873 0.000948 0.014501 -0.019666 35O 2px -0.049198 -0.035720 -0.085686 0.165790 -0.196114 -0.076662 35O 2py -0.039443 -0.030581 -0.061057 0.059133 -0.057387 -0.039467 35O 3pz 0.433297 -0.018809 0.518029 0.673890 -0.043736 -0.407354 35O 3px 0.625993 -0.176853 0.321308 0.321915 0.044270 0.170321 35O 3py 0.368548 0.244229 0.292077 0.516309 -0.087017 -0.236616 35O 1dz2 0.002291 -0.000068 0.000220 0.002097 0.001290 -0.001583 35O 1dxz -0.003584 0.002589 0.000241 -0.002250 -0.000982 -0.000527 35O 1dyz -0.000932 0.001165 0.000845 -0.000015 0.002472 -0.001716 35O 1dx2y2 -0.002062 0.002276 -0.000511 -0.001678 0.001059 0.001096 35O 1dxy -0.003262 -0.000031 0.001767 -0.003043 0.000798 0.000340 35O 2dz2 -0.025518 0.312150 -0.107255 -0.151508 0.055805 0.016101 35O 2dxz 0.019854 0.052737 0.008765 0.215929 -0.169286 -0.151454 35O 2dyz -0.012137 -0.179689 0.049829 -0.062470 0.020519 0.040420 35O 2dx2y2 0.011790 0.083112 -0.138819 -0.023027 -0.052780 0.050290 35O 2dxy 0.019392 0.129636 0.033927 0.133556 -0.113633 -0.048977 35O 1f0 0.001800 -0.000722 0.000985 -0.001789 0.004618 0.003151 35O 1f+1 -0.000597 0.002425 0.001951 -0.008460 0.006211 0.007043 35O 1f-1 -0.001407 0.001327 0.001066 -0.001554 0.000675 -0.002449 35O 1f+2 -0.001749 0.001841 0.001440 0.003365 -0.003228 -0.003524 35O 1f-2 -0.001504 -0.000401 -0.000290 -0.000200 -0.002960 -0.001386 35O 1f+3 -0.001095 -0.001583 0.002051 -0.002464 0.001882 0.000059 35O 1f-3 0.000814 -0.000307 0.001771 -0.008934 0.008439 0.007654 348 349 350 351 352 353 1.74467 1.75371 1.79227 1.79400 1.80437 1.81082 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s -0.000071 -0.001477 0.000386 0.005673 -0.001498 0.002235 0Rh 2s -0.003287 0.006231 -0.001529 -0.021887 0.001977 -0.008881 0Rh 3s -0.002428 -0.004860 0.001334 0.019917 -0.007590 0.007692 0Rh 4s 0.017201 -0.030298 0.007465 0.105715 -0.008407 0.043127 0Rh 5s -0.053775 0.033364 -0.008011 -0.092153 -0.029820 -0.041821 0Rh 6s 0.135716 0.055228 -0.013872 -0.325788 0.199280 -0.110226 0Rh 7s -1.378837 -0.060823 0.068436 2.698374 -1.578597 0.633601 0Rh 8s 0.498626 0.258321 0.007119 -0.144781 0.312460 -0.295403 0Rh 1pz 0.006893 0.005975 0.003821 -0.013228 0.011496 0.006812 0Rh 1px -0.018965 -0.000563 -0.003591 0.017264 -0.011738 0.017905 0Rh 1py -0.009826 -0.005212 0.012597 0.003474 -0.006573 -0.008325 0Rh 2pz -0.022265 -0.019632 -0.012864 0.045733 -0.038439 -0.023261 0Rh 2px 0.062237 0.001360 0.012227 -0.060524 0.038364 -0.061483 0Rh 2py 0.032769 0.017701 -0.042305 -0.012128 0.022057 0.028431 0Rh 3pz -0.021776 -0.011231 -0.000742 -0.021377 -0.008359 0.004950 0Rh 3px 0.040467 0.011721 -0.001890 0.045566 0.030162 0.019481 0Rh 3py 0.009103 -0.001981 -0.004079 0.007819 0.003943 -0.006056 0Rh 4pz 0.222953 0.160224 0.078240 -0.191195 0.261357 0.120278 0Rh 4px -0.547860 -0.056020 -0.066057 0.183254 -0.366549 0.296927 0Rh 4py -0.234229 -0.098532 0.260699 0.043826 -0.151357 -0.147380 0Rh 5pz -0.388386 -0.258457 -0.113883 0.264773 -0.407152 -0.188755 0Rh 5px 0.959546 0.099473 0.100282 -0.190265 0.673691 -0.446555 0Rh 5py 0.371335 0.149595 -0.371879 -0.062213 0.244573 0.232443 0Rh 6pz 1.186757 0.775107 0.398070 0.839028 1.366080 0.455623 0Rh 6px -1.401875 -0.429445 -0.173246 -3.349422 -1.180409 -0.072244 0Rh 6py -0.067947 -0.021939 1.633572 -0.421308 -0.000113 -0.547126 0Rh 1dz2 -0.011626 0.001381 -0.002118 -0.003706 -0.018547 -0.000865 0Rh 1dxz -0.007086 0.013382 -0.000058 -0.000873 -0.015422 -0.012912 0Rh 1dyz -0.005822 -0.004714 -0.008388 0.000005 0.005167 -0.002440 0Rh 1dx2y2 0.017030 -0.014312 0.004965 0.006629 0.007321 0.009893 0Rh 1dxy 0.007162 -0.001911 -0.001367 0.004266 0.003527 0.007380 0Rh 2dz2 0.001310 -0.000172 0.000614 -0.000091 0.002605 0.001032 0Rh 2dxz 0.001348 -0.003640 0.000452 -0.000010 0.005179 0.002169 0Rh 2dyz 0.001808 0.003170 0.002077 -0.000045 -0.001534 -0.000404 0Rh 2dx2y2 -0.001395 0.004471 -0.001075 -0.000113 -0.002513 -0.003557 0Rh 2dxy -0.000824 0.002595 0.003892 -0.000270 -0.000854 -0.001491 0Rh 3dz2 0.022526 -0.002704 0.002347 0.009524 0.034189 -0.002256 0Rh 3dxz 0.011682 -0.016559 -0.001681 0.002468 0.015680 0.021915 0Rh 3dyz 0.006279 -0.002714 0.011044 0.000261 -0.005891 0.007661 0Rh 3dx2y2 -0.035422 0.015031 -0.007663 -0.015938 -0.007102 -0.008817 0Rh 3dxy -0.014034 -0.006774 -0.013284 -0.009391 -0.004934 -0.011304 0Rh 4dz2 0.024275 0.000819 0.012469 -0.001089 0.046561 0.012538 0Rh 4dxz 0.016000 -0.062078 0.003453 -0.005836 0.075360 0.043744 0Rh 4dyz 0.028179 0.058106 0.041930 -0.001996 -0.026929 -0.002218 0Rh 4dx2y2 -0.024931 0.076036 -0.014302 0.000088 -0.036656 -0.053971 0Rh 4dxy -0.011246 0.040821 0.050306 -0.003735 -0.013567 -0.030566 0Rh 5dz2 -0.082861 -0.100622 -0.077835 0.001219 -0.172744 -0.018081 0Rh 5dxz 0.001982 0.268900 0.011388 0.062506 -0.253849 -0.236889 0Rh 5dyz -0.103923 -0.456341 -0.245086 0.018744 0.127783 -0.015940 0Rh 5dx2y2 0.049249 -0.345240 0.020688 -0.013633 0.132792 0.183040 0Rh 5dxy -0.012012 -0.226904 -0.160664 0.010981 0.052693 0.183132 0Rh 1f0 -0.013627 -0.007846 0.081407 -0.008717 -0.042418 -0.030586 0Rh 1f+1 0.008760 -0.006496 0.028879 -0.004444 0.016804 0.022725 0Rh 1f-1 -0.018228 0.051934 0.151434 -0.029947 0.048463 -0.004700 0Rh 1f+2 -0.051424 -0.014124 0.012046 0.034407 -0.137378 -0.078688 0Rh 1f-2 -0.050332 -0.064748 0.131407 -0.000799 -0.004534 -0.029709 0Rh 1f+3 0.018998 0.049861 -0.049252 0.004225 0.022304 0.035259 0Rh 1f-3 -0.011020 0.015029 0.068086 -0.013192 -0.006521 -0.054592 1Rh 1s 0.000501 0.001459 0.000331 -0.005577 -0.001849 -0.002256 1Rh 2s -0.005675 -0.005971 -0.001305 0.021788 0.003337 0.008906 1Rh 3s -0.000529 0.004908 0.001144 -0.019416 -0.008815 -0.007798 1Rh 4s 0.028816 0.028963 0.006380 -0.105321 -0.014987 -0.043233 1Rh 5s -0.066537 -0.029978 -0.006966 0.094484 -0.023949 0.041392 1Rh 6s 0.115069 -0.062291 -0.011008 0.312047 0.218859 0.112940 1Rh 7s -1.392150 0.148973 0.046665 -2.587346 -1.740894 -0.651053 1Rh 8s 0.397703 -0.286799 0.007276 0.120634 0.332875 0.297920 1Rh 1pz -0.005658 0.006169 -0.003841 -0.012274 -0.012031 0.006851 1Rh 1px 0.018304 -0.001603 0.003653 0.016427 0.012979 0.018126 1Rh 1py 0.010000 -0.006511 -0.012206 0.002914 0.006934 -0.008409 1Rh 2pz 0.018229 -0.020222 0.012926 0.042546 0.040311 -0.023390 1Rh 2px -0.060419 0.004750 -0.012442 -0.057780 -0.042709 -0.062213 1Rh 2py -0.033401 0.022056 0.040968 -0.010247 -0.023311 0.028715 1Rh 3pz 0.018939 -0.012625 0.000834 -0.022114 0.007062 0.004864 1Rh 3px -0.031702 0.014449 0.002069 0.047562 -0.027024 0.019098 1Rh 3py -0.008085 -0.001197 0.004412 0.008140 -0.003219 -0.006121 1Rh 4pz -0.187406 0.169539 -0.078919 -0.169375 -0.267487 0.121662 1Rh 4px 0.501929 -0.088089 0.066636 0.157745 0.380224 0.303014 1Rh 4py 0.233662 -0.127993 -0.253936 0.030932 0.156216 -0.148673 1Rh 5pz 0.329310 -0.275846 0.114825 0.230960 0.414314 -0.191889 1Rh 5px -0.879062 0.156453 -0.100508 -0.143851 -0.688332 -0.456969 1Rh 5py -0.368619 0.195976 0.361528 -0.041101 -0.252218 0.233831 1Rh 6pz -1.015902 0.841398 -0.402678 0.946101 -1.295278 0.446750 1Rh 6px 1.057120 -0.511262 0.144954 -3.413834 0.963025 -0.061273 1Rh 6py 0.036304 -0.029266 -1.625610 -0.422977 -0.005513 -0.564871 1Rh 1dz2 -0.014902 -0.000629 -0.002066 0.004719 -0.018336 0.000903 1Rh 1dxz -0.010980 -0.013052 0.000251 0.001796 -0.015102 0.012823 1Rh 1dyz -0.006371 0.005102 -0.008274 0.000003 0.005169 0.002172 1Rh 1dx2y2 0.023219 0.013207 0.004913 -0.007444 0.006761 -0.009582 1Rh 1dxy 0.008831 0.001079 -0.001166 -0.004626 0.003066 -0.007324 1Rh 2dz2 0.002286 0.000101 0.000574 -0.000033 0.002616 -0.001039 1Rh 2dxz 0.002712 0.003597 0.000416 -0.000345 0.005143 -0.002095 1Rh 2dyz 0.002037 -0.003287 0.002028 0.000023 -0.001489 0.000490 1Rh 2dx2y2 -0.003359 -0.004362 -0.001070 0.000297 -0.002430 0.003500 1Rh 2dxy -0.001494 -0.002501 0.003875 0.000310 -0.000781 0.001529 1Rh 3dz2 0.026157 0.001189 0.002394 -0.011459 0.033617 0.002189 1Rh 3dxz 0.015152 0.015923 -0.002284 -0.003215 0.015040 -0.022013 1Rh 3dyz 0.006599 0.002279 0.010981 -0.000184 -0.006113 -0.007384 1Rh 3dx2y2 -0.041771 -0.012805 -0.007556 0.017136 -0.006089 0.008296 1Rh 3dxy -0.015132 0.008408 -0.013690 0.010100 -0.004110 0.011002 1Rh 4dz2 0.040977 -0.002253 0.011882 -0.001331 0.046837 -0.012606 1Rh 4dxz 0.038239 0.061659 0.002817 0.000878 0.074906 -0.042729 1Rh 4dyz 0.031985 -0.059913 0.041174 0.001740 -0.025711 0.003737 1Rh 4dx2y2 -0.057915 -0.074109 -0.014189 0.002810 -0.035247 0.053059 1Rh 4dxy -0.022172 -0.039351 0.049774 0.004420 -0.012413 0.031038 1Rh 5dz2 -0.154873 0.105983 -0.075516 0.009107 -0.176699 0.017863 1Rh 5dxz -0.087274 -0.270325 0.013831 -0.047457 -0.252379 0.232976 1Rh 5dyz -0.121551 0.462578 -0.241990 -0.018029 0.112387 0.008186 1Rh 5dx2y2 0.186857 0.339660 0.019727 0.003178 0.124486 -0.180139 1Rh 5dxy 0.031688 0.226123 -0.156607 -0.012589 0.046492 -0.184956 1Rh 1f0 0.011038 -0.010526 -0.079657 -0.010962 0.041662 -0.031989 1Rh 1f+1 -0.003829 -0.007075 -0.029404 -0.002311 -0.016780 0.021912 1Rh 1f-1 0.023852 0.045954 -0.149536 -0.025020 -0.049126 -0.006608 1Rh 1f+2 0.053316 -0.018297 -0.011114 0.023535 0.137224 -0.077602 1Rh 1f-2 0.053765 -0.070893 -0.131756 -0.002616 0.004074 -0.031033 1Rh 1f+3 -0.012452 0.050585 0.048744 0.007103 -0.021843 0.035965 1Rh 1f-3 0.013708 0.012981 -0.066148 -0.013671 0.005574 -0.054987 2C 1s 0.004143 -0.003913 -0.007862 -0.012114 -0.015038 0.005516 2C 2s 0.019023 -0.015945 -0.027719 -0.041138 -0.050748 0.019773 2C 3s -0.308935 0.205393 0.376203 0.499586 0.605589 -0.257748 2C 4s 1.168191 -0.557658 -1.182154 -1.433830 -1.641789 0.762699 2C 5s 0.914212 -0.730836 -0.523865 0.345781 -0.182726 0.278299 2C 1pz -0.117208 0.055958 -0.050150 0.095404 0.178892 -0.115398 2C 1px -0.031839 -0.033106 -0.088523 -0.002676 -0.050761 -0.004445 2C 1py -0.118565 0.046701 0.052162 0.027608 -0.096315 -0.007060 2C 2pz 0.921367 -0.319457 -0.123629 -0.600816 -0.757828 0.532644 2C 2px 0.181578 -0.061811 0.115537 0.079465 0.019513 0.039401 2C 2py 0.778657 -0.282944 -0.428178 -0.232441 0.177264 0.147872 2C 3pz 0.264536 -0.133008 -0.228554 -0.084578 -0.173190 0.092740 2C 3px 0.004429 -0.246453 -0.284298 -0.157467 -0.256734 0.085067 2C 3py 0.112930 -0.112293 -0.082824 -0.100341 -0.214067 0.115659 2C 1dz2 -0.009587 0.002514 -0.008012 0.001902 -0.016823 -0.002166 2C 1dxz -0.002847 0.004899 0.021243 0.008764 0.027165 0.000803 2C 1dyz -0.011710 0.006166 0.012319 0.005310 0.009984 -0.003581 2C 1dx2y2 0.012856 0.001398 -0.010430 0.003066 0.015473 -0.004242 2C 1dxy -0.004845 0.007610 0.036792 0.000727 -0.006909 0.006522 2C 2dz2 0.293323 -0.061985 -0.060727 -0.191304 -0.131390 0.141473 2C 2dxz 0.182343 -0.151859 -0.152510 -0.008130 -0.054418 0.051304 2C 2dyz 0.441700 -0.146556 -0.133268 -0.225515 -0.153203 0.175236 2C 2dx2y2 -0.123914 0.049246 0.048831 0.090969 0.120186 -0.067429 2C 2dxy 0.054592 -0.086667 -0.000078 -0.021800 -0.186165 0.052047 2C 1f0 0.002641 0.005025 -0.028357 0.002420 0.025367 -0.014240 2C 1f+1 -0.005124 -0.002146 0.015834 -0.000374 -0.029919 0.009395 2C 1f-1 -0.011025 -0.000668 -0.020464 -0.010114 -0.031560 0.003736 2C 1f+2 0.013634 -0.005956 0.017575 0.009337 0.006144 0.002015 2C 1f-2 -0.006593 -0.001865 -0.017711 0.002569 0.009163 -0.008488 2C 1f+3 0.016914 -0.009956 -0.002568 0.018761 0.040012 -0.007100 2C 1f-3 -0.002398 -0.001549 0.009453 0.005793 0.003729 0.000974 3C 1s 0.004063 0.008645 0.011646 -0.010156 -0.014136 0.029079 3C 2s 0.018534 0.028387 0.041730 -0.034817 -0.046259 0.102288 3C 3s -0.329822 -0.331902 -0.575419 0.438197 0.556204 -1.293099 3C 4s 1.239584 0.902841 1.825077 -1.281176 -1.527504 3.789176 3C 5s -0.117697 -0.252141 0.482211 0.321785 1.175300 0.216444 3C 1pz -0.083060 -0.012910 -0.040728 0.025098 0.094816 -0.150646 3C 1px -0.056086 0.008821 0.152824 -0.018594 0.026185 -0.130114 3C 1py 0.095897 0.025220 0.091201 -0.068429 -0.009815 0.359990 3C 2pz 0.606620 0.072415 0.384562 -0.259036 -0.349211 0.924327 3C 2px 0.436847 0.163721 -0.243476 0.090815 -0.225874 0.739648 3C 2py -0.852354 -0.165281 -0.804293 0.514022 0.178943 -1.924169 3C 3pz -0.050394 -0.019552 0.052921 -0.001561 0.144472 0.183840 3C 3px 0.023992 0.097214 0.393387 -0.153615 -0.099995 0.212486 3C 3py -0.002661 -0.022931 -0.218073 0.079708 -0.028165 -0.457952 3C 1dz2 0.003027 0.005470 0.008710 -0.002771 -0.019626 -0.001904 3C 1dxz -0.008756 -0.010277 0.006389 -0.000929 0.010300 0.001986 3C 1dyz 0.014346 -0.005746 0.004323 0.000502 0.009903 0.002532 3C 1dx2y2 0.011087 -0.008832 0.002591 -0.004115 0.012214 0.015745 3C 1dxy 0.003828 0.015647 0.038652 -0.014114 -0.007143 0.002067 3C 2dz2 -0.087411 -0.042707 -0.113884 0.041463 -0.000864 -0.196881 3C 2dxz 0.130514 0.084641 0.254027 -0.067638 -0.042604 0.262023 3C 2dyz -0.346348 -0.027142 -0.210724 0.205026 0.127591 -0.751388 3C 2dx2y2 -0.292304 -0.002176 -0.179795 0.164479 0.093878 -0.500653 3C 2dxy -0.299999 -0.131426 -0.185744 0.042857 0.141222 -0.469090 3C 1f0 -0.012288 -0.001547 0.009238 -0.011914 0.010991 0.017030 3C 1f+1 0.003514 0.003028 -0.019831 0.006967 -0.011334 0.012540 3C 1f-1 0.005157 0.004306 -0.017641 0.009283 -0.007264 -0.003303 3C 1f+2 0.012354 -0.011165 -0.039630 0.024590 0.026299 0.012081 3C 1f-2 -0.003896 -0.010368 -0.003568 0.002961 0.027244 -0.007325 3C 1f+3 0.001415 0.007644 0.032513 -0.006324 0.000719 0.019017 3C 1f-3 -0.003522 -0.005414 0.011364 0.003386 0.011005 -0.008303 4C 1s 0.006789 -0.001997 0.007056 0.001134 0.009062 0.000166 4C 2s 0.023547 -0.006122 0.022742 0.004403 0.031634 -0.000226 4C 3s -0.059132 -0.085766 -0.274065 -0.251625 -0.591390 0.148393 4C 4s -0.286854 0.640658 0.733734 1.248268 2.382550 -0.853131 4C 5s -0.424860 0.826525 0.021627 0.180630 0.160317 -0.431375 4C 1pz 0.018312 -0.002304 0.147481 0.117489 0.070224 -0.022835 4C 1px -0.008265 0.087544 -0.170737 -0.271912 -0.128974 -0.077606 4C 1py 0.014593 0.044902 -0.007081 -0.041567 0.036949 0.038671 4C 2pz 0.655803 0.059347 -0.943188 -1.170961 -0.424881 0.220640 4C 2px 0.355973 -1.023169 1.300422 2.499622 0.722530 0.323867 4C 2py 0.510593 -0.373272 0.022652 0.243300 -0.121784 0.151757 4C 3pz 0.633667 -0.529322 -1.118806 -0.505301 -1.149869 0.362404 4C 3px 0.520608 0.348092 0.843263 0.252773 0.512455 0.082720 4C 3py 0.525496 -0.201708 -0.373130 -0.186429 -0.581130 0.214003 4C 1dz2 -0.012116 0.005174 0.009475 -0.004538 -0.013314 0.014162 4C 1dxz -0.012138 0.001984 0.003747 -0.002512 0.013605 0.001963 4C 1dyz -0.005429 0.006063 0.009199 0.002377 0.000755 -0.005812 4C 1dx2y2 0.016825 -0.008267 -0.009506 0.004250 0.034604 -0.000717 4C 1dxy -0.004169 -0.002066 0.028205 -0.002006 -0.010726 0.007544 4C 2dz2 -0.359891 0.325568 -0.007261 -0.355239 0.021905 -0.083818 4C 2dxz -0.230785 -0.514251 0.233267 0.761024 -0.178778 0.056776 4C 2dyz -0.432398 0.133169 0.159811 0.163858 0.064572 -0.140614 4C 2dx2y2 0.253528 0.019917 0.050853 0.051617 0.048153 0.042933 4C 2dxy 0.047979 -0.313222 0.026453 0.684638 0.293782 -0.057154 4C 1f0 0.008678 -0.005074 0.011416 0.001374 -0.030123 0.017883 4C 1f+1 0.008803 -0.006012 -0.009448 -0.017256 -0.021962 0.015407 4C 1f-1 0.037534 -0.010064 -0.011428 -0.032042 -0.026263 0.023610 4C 1f+2 -0.024847 0.024303 -0.014071 -0.000197 0.013855 -0.008228 4C 1f-2 0.020041 -0.013103 0.004142 -0.014414 -0.013135 -0.000351 4C 1f+3 -0.001035 0.012325 -0.011733 -0.027502 -0.029616 0.016911 4C 1f-3 -0.007242 0.002896 -0.016989 -0.020959 -0.014775 -0.004928 5C 1s -0.000148 -0.007148 -0.007594 0.003464 0.009500 -0.004522 5C 2s 0.000965 -0.023120 -0.024564 0.012011 0.033405 -0.017215 5C 3s 0.152527 0.310404 0.430546 -0.304001 -0.518002 0.941828 5C 4s -0.712198 -1.001124 -1.605905 1.282215 1.979289 -4.761889 5C 5s -0.619723 0.102171 -0.178306 0.022389 -0.038492 -0.770596 5C 1pz 0.019075 -0.010464 -0.126298 0.132620 0.071872 -0.000073 5C 1px -0.083173 0.001875 0.155499 -0.287430 -0.064874 -0.115781 5C 1py -0.003162 0.028157 0.114124 -0.066715 -0.110779 -0.036595 5C 2pz 0.155858 -0.058447 0.895996 -1.149714 -0.387766 0.276713 5C 2px 1.314918 0.484209 -1.099071 2.724263 0.429169 1.402928 5C 2py -0.620240 -0.068272 -0.918143 0.804959 0.520070 -0.649030 5C 3pz -0.311928 0.336845 0.850019 -0.324803 -0.014577 0.756648 5C 3px 0.124855 -0.572301 -0.561917 0.369178 0.511587 1.044929 5C 3py 0.340472 -0.298824 -1.108943 0.358079 -0.039249 -1.519724 5C 1dz2 -0.001110 0.006888 -0.006228 -0.000375 -0.008752 0.006588 5C 1dxz -0.008076 0.001698 0.013056 -0.007902 0.003824 0.013171 5C 1dyz 0.009893 0.000326 0.010151 -0.003547 -0.000837 -0.009204 5C 1dx2y2 0.017868 -0.011611 0.000540 0.000649 0.030787 -0.018789 5C 1dxy 0.011266 0.000655 0.034278 -0.002708 0.014104 -0.001731 5C 2dz2 -0.075697 -0.104596 0.201565 -0.395317 -0.103134 0.222798 5C 2dxz 0.058599 0.210119 -0.286360 0.470730 -0.183232 0.066852 5C 2dyz 0.468272 0.255308 0.161563 0.201623 -0.097502 0.783341 5C 2dx2y2 0.477000 0.251149 -0.009214 0.465129 0.135818 0.315547 5C 2dxy -0.024698 -0.352833 0.209942 -0.877190 -0.014932 -0.002699 5C 1f0 -0.005953 -0.003016 -0.028956 0.031010 0.003928 -0.042275 5C 1f+1 -0.016634 -0.008402 0.028014 -0.030451 -0.013410 0.009497 5C 1f-1 -0.000580 0.002367 0.000714 0.003028 0.009438 -0.000558 5C 1f+2 -0.037902 -0.007109 -0.003096 0.001811 0.020671 -0.090548 5C 1f-2 -0.029893 -0.014167 -0.007873 0.002015 0.014010 -0.085877 5C 1f+3 0.009014 0.003532 0.024787 -0.037258 -0.017603 0.058431 5C 1f-3 -0.008950 -0.009525 -0.003093 -0.003365 -0.007294 -0.044131 6C 1s 0.000118 0.007195 -0.007727 -0.003956 0.009238 0.004453 6C 2s 0.001858 0.023179 -0.025028 -0.013760 0.032479 0.017021 6C 3s 0.119476 -0.330328 0.449046 0.327912 -0.482413 -0.934433 6C 4s -0.558697 1.097321 -1.693522 -1.368900 1.814791 4.728584 6C 5s -0.579573 -0.048939 -0.190709 -0.009047 -0.071036 0.763296 6C 1pz -0.029040 -0.007019 0.127399 0.137329 -0.067194 0.001497 6C 1px 0.094168 -0.007841 -0.155545 -0.294758 0.051356 -0.117866 6C 1py 0.007710 0.026551 -0.113594 -0.073038 0.108686 -0.037344 6C 2pz -0.121574 -0.056945 -0.905883 -1.172933 0.339286 0.260141 6C 2px -1.338812 0.619101 1.080810 2.791136 -0.344135 1.422816 6C 2py 0.591442 -0.112237 0.930586 0.822713 -0.478783 -0.633935 6C 3pz 0.357208 0.334286 -0.862714 -0.329485 -0.027649 0.732520 6C 3px -0.133615 -0.552370 0.537516 0.409213 -0.493734 1.038774 6C 3py -0.402141 -0.310555 1.137276 0.353283 0.098645 -1.478495 6C 1dz2 -0.001960 -0.006893 -0.006074 0.001241 -0.009165 -0.006860 6C 1dxz -0.007320 -0.000839 0.013266 0.007532 0.004307 -0.013221 6C 1dyz 0.010353 -0.001198 0.010026 0.003361 -0.000577 0.009641 6C 1dx2y2 0.018713 0.010346 0.000129 -0.002593 0.030590 0.019197 6C 1dxy 0.009477 -0.001172 0.034380 0.001675 0.014496 0.002147 6C 2dz2 -0.084653 0.114703 0.205875 0.402408 -0.085135 -0.217131 6C 2dxz 0.053071 -0.225991 -0.287532 -0.460904 -0.193418 -0.075295 6C 2dyz 0.447148 -0.302148 0.176168 -0.206944 -0.080830 -0.780785 6C 2dx2y2 0.474935 -0.296420 -0.005149 -0.482501 0.127807 -0.316022 6C 2dxy -0.022700 0.364296 0.211292 0.883979 0.006120 0.012907 6C 1f0 0.004715 -0.003631 0.029724 0.031261 -0.002164 -0.041700 6C 1f+1 0.017997 -0.009692 -0.027728 -0.031269 0.012323 0.008600 6C 1f-1 0.000196 0.002136 -0.000923 0.003544 -0.009584 -0.000602 6C 1f+2 0.036142 -0.011074 0.004716 0.001885 -0.018396 -0.090147 6C 1f-2 0.028161 -0.017299 0.009901 0.001838 -0.011104 -0.085446 6C 1f+3 -0.006879 0.004701 -0.025659 -0.038416 0.014914 0.057825 6C 1f-3 0.007372 -0.010784 0.004102 -0.003709 0.008463 -0.043991 7C 1s 0.007948 0.001604 0.007151 -0.001831 0.009130 0.000041 7C 2s 0.027311 0.004766 0.023074 -0.006809 0.031857 0.000941 7C 3s -0.116407 0.077560 -0.284167 0.287139 -0.597755 -0.159128 7C 4s -0.089360 -0.565016 0.781222 -1.375160 2.412675 0.892120 7C 5s -0.453411 -0.795258 0.030051 -0.174714 0.161302 0.426684 7C 1pz -0.026358 -0.001999 -0.146826 0.125487 -0.061014 -0.027904 7C 1px 0.019199 0.090979 0.166265 -0.281185 0.107433 -0.077252 7C 1py -0.012872 0.046794 0.003963 -0.038254 -0.043738 0.036457 7C 2pz -0.619052 0.122935 0.936379 -1.205831 0.344649 0.246577 7C 2px -0.369672 -1.039669 -1.243949 2.562051 -0.490799 0.332251 7C 2py -0.498522 -0.343580 -0.001602 0.237754 0.169187 0.169538 7C 3pz -0.599187 -0.500581 1.123542 -0.565539 1.148213 0.403459 7C 3px -0.554229 0.379902 -0.823201 0.306358 -0.484233 0.070517 7C 3py -0.524152 -0.177061 0.385709 -0.208584 0.594110 0.236403 7C 1dz2 -0.013901 -0.004168 0.009579 0.005616 -0.012996 -0.014294 7C 1dxz -0.011321 -0.000857 0.003509 0.001892 0.014087 -0.001889 7C 1dyz -0.005105 -0.005776 0.008949 -0.002661 0.000352 0.006273 7C 1dx2y2 0.018205 0.007291 -0.009561 -0.006231 0.035035 0.000774 7C 1dxy -0.002349 0.002754 0.028790 0.002187 -0.010103 -0.006902 7C 2dz2 -0.340388 -0.308166 0.003543 0.357348 0.066846 0.093549 7C 2dxz -0.248577 0.540140 0.220776 -0.749036 -0.255822 -0.063591 7C 2dyz -0.414200 -0.098038 0.166507 -0.164002 0.071731 0.148979 7C 2dx2y2 0.258272 -0.027575 0.052503 -0.054846 0.044207 -0.046572 7C 2dxy 0.042159 0.322708 0.016768 -0.701018 0.233942 0.050278 7C 1f0 -0.007297 -0.004207 -0.011328 0.000883 0.030935 0.017647 7C 1f+1 -0.007216 -0.004401 0.009827 -0.018141 0.021417 0.015129 7C 1f-1 -0.034598 -0.006038 0.011899 -0.033082 0.026083 0.023976 7C 1f+2 0.023271 0.022242 0.012742 -0.000031 -0.016643 -0.008706 7C 1f-2 -0.019435 -0.011245 -0.003526 -0.014511 0.013537 -0.000243 7C 1f+3 0.001352 0.012717 0.010651 -0.029105 0.026536 0.016909 7C 1f-3 0.007887 0.002988 0.016498 -0.022203 0.012964 -0.004701 8C 1s 0.003011 -0.009225 0.012290 0.010890 -0.013180 -0.028877 8C 2s 0.014802 -0.030770 0.043965 0.037102 -0.042842 -0.101504 8C 3s -0.285174 0.367798 -0.602694 -0.463075 0.512948 1.282129 8C 4s 1.119791 -1.024047 1.902349 1.341722 -1.403052 -3.753665 8C 5s -0.157887 0.230611 0.482524 -0.394381 1.190397 -0.181108 8C 1pz 0.079820 -0.021541 0.040181 0.028091 -0.092401 -0.149535 8C 1px 0.054464 0.001011 -0.149990 -0.017277 -0.024163 -0.131854 8C 1py -0.089474 0.034569 -0.099179 -0.066122 -0.001358 0.358032 8C 2pz -0.586623 0.127625 -0.390358 -0.264658 0.327107 0.913017 8C 2px -0.411822 0.213804 0.228208 0.082764 0.208559 0.742553 8C 2py 0.808038 -0.239686 0.844749 0.503089 -0.114588 -1.905076 8C 3pz 0.059530 -0.018980 -0.060574 0.007061 -0.150416 0.178917 8C 3px -0.024757 0.102613 -0.398487 -0.157737 0.085155 0.207972 8C 3py -0.018971 -0.032369 0.224476 0.077059 0.044379 -0.446365 8C 1dz2 0.001836 -0.005899 0.008801 0.003779 -0.019184 0.002115 8C 1dxz -0.007500 0.011541 0.006461 -0.000038 0.010113 -0.001740 8C 1dyz 0.015079 0.004796 0.004181 -0.001343 0.009553 -0.002153 8C 1dx2y2 0.012019 0.008004 0.003092 0.002926 0.012543 -0.015258 8C 1dxy 0.000997 -0.015886 0.038871 0.014642 -0.005668 -0.001812 8C 2dz2 -0.080532 0.049949 -0.117375 -0.038958 -0.009073 0.195769 8C 2dxz 0.119904 -0.094310 0.258659 0.065672 -0.031139 -0.258533 8C 2dyz -0.331095 0.058524 -0.224556 -0.204388 0.105026 0.745102 8C 2dx2y2 -0.281777 0.027995 -0.188804 -0.163953 0.079633 0.495026 8C 2dxy -0.284639 0.160509 -0.194470 -0.044809 0.126132 0.465119 8C 1f0 0.012293 -0.002699 -0.009758 -0.011267 -0.012195 0.016985 8C 1f+1 -0.003393 0.003748 0.019651 0.006429 0.011100 0.012852 8C 1f-1 -0.005588 0.004920 0.017989 0.008704 0.008295 -0.002993 8C 1f+2 -0.013212 -0.009492 0.039518 0.026379 -0.025804 0.012338 8C 1f-2 0.003330 -0.010843 0.004103 0.004569 -0.027315 -0.007405 8C 1f+3 -0.001164 0.007172 -0.032801 -0.005625 -0.001688 0.018735 8C 1f-3 0.002319 -0.006170 -0.011246 0.004287 -0.010788 -0.008532 9C 1s 0.002709 0.003190 -0.008148 0.013106 -0.014954 -0.005871 9C 2s 0.014209 0.013151 -0.028724 0.044402 -0.050556 -0.021028 9C 3s -0.251627 -0.166799 0.389171 -0.538045 0.603876 0.275035 9C 4s 1.011319 0.432013 -1.220765 1.537011 -1.637133 -0.818906 9C 5s 0.962872 0.720450 -0.524648 -0.363494 -0.209666 -0.299363 9C 1pz 0.111272 0.046861 0.048378 0.101459 -0.179064 -0.116193 9C 1px 0.027506 -0.037630 0.091092 -0.007455 0.043582 -0.002640 9C 1py 0.116903 0.035132 -0.055354 0.021930 0.094735 -0.008345 9C 2pz -0.880796 -0.248133 0.136272 -0.628495 0.756116 0.549727 9C 2px -0.146676 -0.041334 -0.121707 0.083760 0.019552 0.042038 9C 2py -0.753656 -0.215932 0.446078 -0.221463 -0.166754 0.164171 9C 3pz -0.260414 -0.114423 0.230365 -0.087648 0.173620 0.099204 9C 3px -0.015179 -0.245434 0.289494 -0.175814 0.249701 0.092221 9C 3py -0.111146 -0.113020 0.086057 -0.113968 0.218402 0.123322 9C 1dz2 -0.010812 -0.001966 -0.007682 -0.000834 -0.016837 0.002179 9C 1dxz 0.000552 -0.004482 0.020439 -0.010743 0.027331 0.000014 9C 1dyz -0.011857 -0.005369 0.012416 -0.005817 0.009664 0.004026 9C 1dx2y2 0.012639 -0.002702 -0.010937 -0.004005 0.015103 0.004214 9C 1dxy -0.002607 -0.006872 0.036789 -0.001226 -0.006601 -0.005639 9C 2dz2 0.280966 0.035884 -0.063093 0.193678 -0.128887 -0.145090 9C 2dxz 0.170040 0.139327 -0.157428 0.011117 -0.060586 -0.056985 9C 2dyz 0.422968 0.108469 -0.142587 0.230623 -0.157354 -0.185010 9C 2dx2y2 -0.120006 -0.042073 0.050114 -0.097886 0.119778 0.072127 9C 2dxy 0.045573 0.083656 -0.000594 0.030293 -0.189364 -0.054600 9C 1f0 -0.001447 0.006220 0.028836 0.003259 -0.025174 -0.014113 9C 1f+1 0.006030 -0.002391 -0.015809 -0.001351 0.030242 0.009135 9C 1f-1 0.012128 -0.001727 0.020214 -0.012461 0.030545 0.004664 9C 1f+2 -0.016387 -0.005607 -0.018126 0.010845 -0.006214 0.001452 9C 1f-2 0.006676 -0.002373 0.018535 0.002242 -0.008709 -0.007783 9C 1f+3 -0.017661 -0.008896 0.003855 0.020806 -0.038355 -0.007175 9C 1f-3 0.002890 -0.001625 -0.009645 0.006391 -0.003276 0.000694 10H 1s -0.018174 0.015355 -0.029520 0.027674 0.020538 -0.027042 10H 2s 0.200870 -0.109540 0.046368 -0.028922 -0.066121 0.103004 10H 3s -0.080839 0.178816 0.000046 -0.101101 -0.028963 -0.052960 10H 1pz 0.048810 -0.045915 -0.151309 -0.062905 -0.090525 0.017207 10H 1px -0.011860 -0.001166 -0.071141 -0.011088 -0.059416 0.004507 10H 1py 0.038530 -0.017376 -0.059444 -0.048461 -0.147932 0.056333 11H 1s -0.010999 0.011140 -0.051641 0.013815 0.075228 -0.024586 11H 2s 0.068317 0.029960 0.438148 -0.015076 -0.246285 0.121484 11H 3s 0.002584 -0.050341 -0.265071 -0.181958 -0.061511 0.017035 11H 1pz 0.079730 -0.030280 0.022916 -0.044841 -0.043281 0.057614 11H 1px -0.006966 -0.006039 -0.019474 0.004638 -0.093905 0.020446 11H 1py 0.056535 -0.030025 -0.058104 -0.057831 -0.126675 0.077824 12H 1s -0.047573 0.019067 0.054492 -0.022623 -0.069244 0.013369 12H 2s 0.314083 -0.034482 -0.061719 0.144176 0.627083 -0.091931 12H 3s -0.143046 0.012176 0.085358 -0.231375 -0.403324 0.107977 12H 1pz 0.056069 -0.047881 -0.013008 -0.057519 0.003939 -0.001275 12H 1px 0.017644 -0.003046 -0.024669 0.028728 0.040267 -0.028051 12H 1py 0.062390 -0.026320 -0.002981 -0.008323 0.039568 0.007378 13H 1s -0.004018 0.022529 -0.035324 0.023758 -0.026570 -0.030839 13H 2s 0.118653 -0.083560 0.285312 -0.031923 0.179620 0.022625 13H 3s -0.105155 0.089239 -0.154843 -0.090151 -0.200171 0.175773 13H 1pz 0.038855 0.011462 0.092269 -0.037634 -0.001998 0.088124 13H 1px 0.013815 0.046585 0.085988 -0.025198 -0.067246 0.112164 13H 1py -0.033527 -0.066828 -0.168499 0.077428 0.119672 -0.116327 14H 1s -0.034973 -0.020027 0.064339 -0.035121 0.037306 -0.030311 14H 2s 0.246008 -0.096871 -0.538017 0.197916 -0.048608 0.083218 14H 3s -0.047229 0.076873 0.316508 -0.195533 -0.149465 0.316391 14H 1pz 0.052027 0.014821 -0.005264 -0.021611 -0.014953 0.101111 14H 1px 0.033605 -0.013134 -0.033022 0.032620 -0.006989 0.016116 14H 1py -0.071918 0.002224 -0.034159 0.050321 0.074428 -0.191188 15H 1s -0.005504 -0.003412 -0.026705 0.019125 -0.018012 -0.084036 15H 2s 0.035275 -0.093152 -0.038801 -0.011071 0.263686 0.333529 15H 3s 0.063372 0.103449 0.108686 -0.132043 -0.381202 0.292432 15H 1pz 0.074716 0.036954 0.047479 -0.037365 -0.032863 0.151451 15H 1px 0.005302 0.065444 0.138485 -0.025898 -0.013315 0.046187 15H 1py -0.084124 -0.007893 -0.019510 0.028941 -0.010282 -0.175695 16H 1s 0.057453 -0.117305 0.017324 -0.039909 0.106182 0.064294 16H 2s -0.339974 0.275137 -0.122923 0.174252 -0.394436 -0.165439 16H 3s -0.067441 -0.160915 0.014860 0.078466 0.214871 0.141635 16H 1pz 0.124364 0.242485 0.011470 0.027872 -0.153812 -0.079908 16H 1px 0.215117 0.266130 0.016098 0.030948 -0.086940 -0.032454 16H 1py -0.295394 -0.223424 -0.027012 0.035181 0.094414 -0.013803 17H 1s 0.119405 -0.072914 0.022834 -0.029205 0.104839 0.034834 17H 2s -0.441493 0.320934 -0.100497 0.061816 -0.406175 -0.006296 17H 3s 0.249874 0.058318 0.019359 0.117156 0.048048 -0.043871 17H 1pz 0.357456 0.278693 0.045293 -0.026268 -0.104851 -0.017132 17H 1px -0.009150 -0.049803 -0.001387 0.011571 0.070672 -0.035923 17H 1py 0.159398 0.341984 0.016725 0.036913 -0.164263 -0.065436 18H 1s 0.165097 0.064183 0.023135 0.021999 0.106731 -0.033927 18H 2s -0.597744 -0.289979 -0.101993 -0.037613 -0.415788 0.002478 18H 3s 0.267217 -0.076772 0.018695 -0.121891 0.036230 0.041051 18H 1pz -0.379278 0.296868 -0.048321 -0.026325 0.099416 -0.013287 18H 1px 0.014772 -0.054830 0.003950 0.013920 -0.069597 -0.034964 18H 1py -0.118656 0.360538 -0.020201 0.030427 0.167339 -0.061446 19H 1s 0.102940 0.114152 0.015381 0.032320 0.108179 -0.062436 19H 2s -0.480797 -0.259230 -0.112078 -0.143079 -0.401541 0.156172 19H 3s -0.052167 0.168568 0.013102 -0.090480 0.208473 -0.134899 19H 1pz -0.104165 0.259397 -0.013617 0.019662 0.157886 -0.076279 19H 1px -0.187592 0.281924 -0.020834 0.029613 0.087639 -0.029868 19H 1py 0.322903 -0.237578 0.027960 0.035432 -0.089257 -0.017095 20H 1s -0.001838 0.004559 -0.030017 -0.017469 -0.022343 0.083378 20H 2s 0.034372 0.090901 -0.026648 -0.007031 0.279012 -0.333480 20H 3s 0.058547 -0.109924 0.110075 0.153483 -0.375350 -0.291445 20H 1pz -0.072528 0.044041 -0.051218 -0.038367 0.028416 0.150189 20H 1px 0.004437 0.064525 -0.137920 -0.026162 0.008761 0.044527 20H 1py 0.082657 -0.015728 0.023602 0.026697 0.015881 -0.174841 21H 1s -0.030968 0.025347 0.064515 0.032348 0.037637 0.031565 21H 2s 0.250862 0.065821 -0.540748 -0.195525 -0.057391 -0.089554 21H 3s -0.045610 -0.068616 0.327088 0.202405 -0.137200 -0.315017 21H 1pz -0.051867 0.019561 0.003772 -0.021050 0.010964 0.100217 21H 1px -0.031618 -0.008953 0.032527 0.032599 0.009172 0.015902 21H 1py 0.071182 -0.005354 0.038767 0.051856 -0.069906 -0.189401 22H 1s -0.006863 -0.023080 -0.034855 -0.021047 -0.027158 0.029236 22H 2s 0.124547 0.080156 0.279160 0.013945 0.180544 -0.015571 22H 3s -0.113455 -0.083830 -0.148314 0.106840 -0.193112 -0.178435 22H 1pz -0.034861 0.014940 -0.094622 -0.037188 -0.001686 0.086564 22H 1px -0.004372 0.049234 -0.088753 -0.029285 0.064506 0.111141 22H 1py 0.021412 -0.070734 0.169374 0.083431 -0.113788 -0.114281 23H 1s -0.043358 -0.013751 0.055468 0.025905 -0.065662 -0.012686 23H 2s 0.320150 0.004722 -0.066974 -0.181869 0.609732 0.094538 23H 3s -0.149922 -0.004293 0.082173 0.259127 -0.395485 -0.110649 23H 1pz -0.054920 -0.043677 0.017985 -0.058186 -0.001749 0.001396 23H 1px -0.015547 -0.003049 0.028758 0.029460 -0.036877 -0.026790 23H 1py -0.062115 -0.020868 0.004308 -0.004940 -0.037687 0.007389 24H 1s -0.007022 -0.010581 -0.053020 -0.016616 0.078305 0.024420 24H 2s 0.070418 -0.033349 0.448165 0.016445 -0.257624 -0.114665 24H 3s -0.001929 0.037033 -0.273382 0.190371 -0.050292 -0.020928 24H 1pz -0.078213 -0.023380 -0.021498 -0.044804 0.044743 0.057342 24H 1px 0.012521 -0.006279 0.015504 0.000557 0.091192 0.021062 24H 1py -0.048839 -0.023790 0.057470 -0.063557 0.125235 0.079859 25H 1s -0.024060 -0.015157 -0.028340 -0.027186 0.016152 0.025945 25H 2s 0.225206 0.105982 0.041731 0.025086 -0.049514 -0.101691 25H 3s -0.107558 -0.185642 0.005370 0.106394 -0.031067 0.053466 25H 1pz -0.037922 -0.040897 0.151401 -0.070483 0.088134 0.022856 25H 1px 0.022557 -0.000028 0.071726 -0.016193 0.060118 0.007089 25H 1py -0.029043 -0.013889 0.061191 -0.057075 0.148772 0.059522 26O 1s -0.002115 0.002047 0.000101 0.002624 0.003709 -0.002679 26O 2s -0.007332 0.007100 -0.003530 0.002311 0.006829 -0.007410 26O 3s 0.053713 -0.059461 0.084944 0.108867 0.052830 0.021036 26O 4s -0.182865 0.185741 -0.366530 -0.607257 -0.427757 0.038967 26O 5s -0.480678 0.874714 -0.479916 -2.339293 -0.361887 -0.171415 26O 1pz 0.033103 0.016557 0.031822 -0.006715 0.032971 0.007532 26O 1px -0.015581 0.001510 -0.008306 -0.005227 -0.018960 -0.026998 26O 1py -0.013386 0.000854 0.038824 -0.002301 0.024954 -0.003281 26O 2pz 0.016869 -0.056243 -0.036444 0.068140 -0.010382 0.014443 26O 2px 0.052870 -0.273507 0.205591 0.542281 0.206332 0.004838 26O 2py 0.027009 -0.132663 0.063007 0.242880 0.037493 0.031881 26O 3pz 0.275525 0.586177 0.693800 -0.126712 0.736506 -0.183205 26O 3px 0.688785 -0.111270 0.550324 1.402289 0.786118 0.076626 26O 3py 0.463705 0.366223 0.568317 0.372027 0.716796 -0.021869 26O 1dz2 -0.002013 0.003562 -0.002372 -0.006186 -0.001457 0.001341 26O 1dxz 0.003501 0.001632 0.000643 0.006549 0.002437 0.001690 26O 1dyz -0.001107 0.001332 0.001734 -0.001894 0.002085 -0.003898 26O 1dx2y2 0.000945 -0.002896 0.001404 0.001826 0.000946 0.000824 26O 1dxy 0.002225 -0.001622 0.001941 0.005377 0.004847 0.001001 26O 2dz2 -0.023400 -0.021208 0.069931 0.068341 -0.081205 0.020901 26O 2dxz -0.056736 -0.067950 -0.156958 0.139808 -0.239197 0.088428 26O 2dyz 0.004946 -0.001151 -0.073026 -0.141751 -0.024542 -0.089013 26O 2dx2y2 0.021785 0.076607 0.128575 -0.294681 -0.095449 0.038306 26O 2dxy 0.055128 0.015387 -0.179663 -0.164642 -0.007920 0.009035 26O 1f0 -0.000662 -0.000589 -0.002586 -0.001631 -0.006760 -0.001784 26O 1f+1 -0.001625 0.002899 -0.007005 -0.012684 -0.009818 -0.001718 26O 1f-1 -0.002396 0.001940 -0.003745 0.001655 -0.004478 0.001583 26O 1f+2 -0.000309 0.001048 0.006589 -0.001840 0.004037 -0.001833 26O 1f-2 -0.001389 -0.002336 0.004161 0.005704 0.003101 0.001041 26O 1f+3 -0.001827 0.003223 0.000014 -0.006325 -0.003553 -0.000069 26O 1f-3 -0.000244 0.007030 -0.014034 -0.018925 -0.011253 0.001351 27O 1s -0.003194 -0.001209 -0.002228 0.001183 0.002168 -0.008174 27O 2s -0.012829 -0.005624 -0.002344 -0.002236 0.003935 -0.023146 27O 3s 0.115862 0.056693 -0.072179 0.136144 0.030315 0.072991 27O 4s -0.382052 -0.211477 0.431836 -0.648184 -0.225849 0.027391 27O 5s -0.612821 -0.069600 0.499465 -2.734443 -0.750700 -0.348613 27O 1pz 0.004221 0.005591 -0.005809 0.005198 0.034605 -0.008847 27O 1px 0.012930 0.021884 -0.004049 -0.005250 -0.014014 -0.050522 27O 1py -0.023638 -0.004759 0.043072 0.001583 -0.048645 0.002396 27O 2pz -0.006317 0.000288 0.061327 -0.029652 0.000776 0.008930 27O 2px 0.218229 0.124711 -0.250001 0.650759 0.129748 -0.000963 27O 2py -0.048578 -0.025081 -0.002485 -0.142068 -0.014344 -0.008827 27O 3pz -0.093028 -0.460281 -0.396615 -0.316326 0.124744 -0.057462 27O 3px 0.723017 -0.019500 -0.745101 1.513757 0.933617 0.139696 27O 3py -0.227765 0.485455 0.772183 -0.040192 -0.604342 0.144119 27O 1dz2 -0.002573 -0.000459 0.004040 -0.004157 -0.002404 0.001338 27O 1dxz 0.000101 -0.000625 0.000316 0.002359 0.002509 -0.001086 27O 1dyz 0.002962 -0.001002 0.000468 0.005424 0.000635 0.005645 27O 1dx2y2 0.004258 -0.000112 -0.001751 0.006358 0.001310 0.003910 27O 1dxy -0.003271 0.000037 0.001650 -0.006114 -0.007546 0.002598 27O 2dz2 0.021442 0.016284 -0.063420 0.187087 -0.045814 -0.034563 27O 2dxz 0.024145 0.076649 0.040614 0.138305 -0.109460 -0.067708 27O 2dyz 0.052914 0.135478 0.074903 0.188060 0.079962 0.026538 27O 2dx2y2 -0.044371 -0.091484 -0.003792 -0.249940 -0.055146 0.096061 27O 2dxy 0.082532 -0.035555 -0.289901 0.043622 0.018663 0.068558 27O 1f0 0.001610 0.002796 -0.000328 -0.000644 -0.001882 -0.000924 27O 1f+1 -0.004346 0.001038 0.008317 -0.016147 -0.006448 0.002096 27O 1f-1 0.000888 0.001629 0.000009 0.001637 0.000997 0.000425 27O 1f+2 -0.000291 0.000715 0.000576 -0.008674 -0.000764 0.000270 27O 1f-2 -0.001723 -0.003016 -0.000999 -0.003203 0.000792 -0.000828 27O 1f+3 -0.006494 0.001271 0.009887 -0.015515 -0.006335 0.003945 27O 1f-3 0.003074 -0.001422 -0.015359 0.012022 0.005200 -0.004376 28O 1s -0.002683 0.001035 0.002417 0.002306 0.002846 0.000474 28O 2s -0.007562 -0.000816 0.010480 0.010814 0.008206 0.001703 28O 3s 0.025876 0.083095 -0.098660 -0.130456 -0.020475 -0.016882 28O 4s -0.028143 -0.485563 0.202357 0.474214 -0.132171 0.028005 28O 5s -0.307287 -0.421057 1.481606 2.185140 0.533507 0.366818 28O 1pz 0.000282 0.041060 0.014790 0.030313 0.010834 -0.011286 28O 1px 0.043393 -0.021617 0.026931 -0.033164 0.001577 -0.012828 28O 1py 0.027491 0.013645 -0.014159 0.005166 0.041694 -0.001696 28O 2pz 0.055238 0.212170 -0.123140 -0.335308 0.034065 -0.056076 28O 2px 0.008557 -0.258078 0.189984 0.381717 0.020847 0.043712 28O 2py 0.042865 0.032244 -0.000905 -0.057719 0.018897 -0.010543 28O 3pz 0.099236 -0.034070 -0.644106 -0.431291 -0.052265 -0.118955 28O 3px -0.327554 -0.309967 0.499528 1.240682 -0.179746 0.197869 28O 3py -0.063411 -0.096420 -0.193612 0.204827 0.115597 -0.003874 28O 1dz2 0.000818 0.000876 -0.000046 -0.000665 -0.000234 0.000478 28O 1dxz -0.003209 -0.001859 0.005486 0.007290 -0.001755 0.003167 28O 1dyz -0.001367 -0.000172 -0.002743 0.004550 0.002182 -0.000437 28O 1dx2y2 -0.000350 0.001851 -0.000703 -0.002213 -0.004847 0.003552 28O 1dxy -0.003038 -0.000401 0.000405 0.005689 -0.002002 0.000970 28O 2dz2 0.046472 -0.008267 0.077607 0.015012 0.184719 -0.018780 28O 2dxz -0.084150 0.118719 -0.102452 -0.124889 -0.102745 0.025707 28O 2dyz -0.034883 -0.075552 0.182121 0.144408 0.005266 0.041942 28O 2dx2y2 0.077978 -0.112933 -0.025820 0.179816 -0.194055 0.110328 28O 2dxy -0.004574 -0.041654 -0.160857 0.148457 0.015577 0.035501 28O 1f0 0.001873 -0.003579 0.002253 0.006005 0.004676 -0.000256 28O 1f+1 0.002558 -0.005878 0.005781 0.006742 0.006059 -0.000175 28O 1f-1 0.000047 0.003638 -0.001903 -0.007915 0.001585 -0.003352 28O 1f+2 -0.001078 0.006156 -0.013215 -0.010348 -0.000246 -0.003524 28O 1f-2 0.000043 -0.002039 0.004866 0.001267 0.001455 -0.000078 28O 1f+3 -0.000530 0.004220 -0.006589 -0.008132 0.002301 -0.003597 28O 1f-3 -0.000278 -0.000376 0.004838 -0.000401 -0.002570 0.003965 29O 1s 0.007238 0.000974 0.000288 0.004129 0.006610 0.001021 29O 2s 0.022047 -0.001031 0.001299 0.008954 0.021117 0.004683 29O 3s -0.113460 0.094311 -0.015677 0.027585 -0.131719 -0.059866 29O 4s -0.035865 -0.489444 0.043943 -0.420305 0.100049 0.228980 29O 5s 1.094595 0.445172 0.065733 1.058287 0.870105 -0.165040 29O 1pz -0.052621 -0.055315 -0.011504 -0.004392 0.020815 0.019403 29O 1px -0.024149 -0.028974 0.003920 -0.037785 0.001109 0.011471 29O 1py 0.036460 -0.056588 0.008820 -0.046273 0.034878 0.004617 29O 2pz 0.054917 0.081787 0.012568 0.005928 -0.054241 -0.069383 29O 2px 0.094980 0.000176 0.002167 0.034740 0.064803 -0.005223 29O 2py -0.100966 0.126257 -0.017700 0.057436 -0.123668 -0.056904 29O 3pz -0.237618 -0.264889 -0.086741 0.254986 0.171249 -0.047442 29O 3px -0.410490 -0.510004 0.048906 -0.472106 -0.217238 0.108862 29O 3py -0.168093 0.001952 -0.140370 -0.007194 -0.142024 0.147110 29O 1dz2 0.004124 0.000912 0.001139 -0.000456 0.001428 -0.000911 29O 1dxz 0.001390 -0.001028 0.000225 -0.001412 0.001953 0.000890 29O 1dyz 0.004426 0.005418 0.001027 0.000193 -0.002661 -0.000725 29O 1dx2y2 -0.005051 0.001511 -0.000188 0.000237 -0.002863 -0.000050 29O 1dxy 0.001771 0.001996 -0.001815 0.000519 -0.002157 -0.001136 29O 2dz2 0.002782 -0.173271 0.024160 -0.048214 0.074310 0.000398 29O 2dxz 0.099672 -0.029207 0.037909 -0.050681 0.060212 0.072593 29O 2dyz -0.124547 -0.112832 0.005152 -0.045566 0.060413 0.097518 29O 2dx2y2 0.006258 0.118613 -0.037269 0.013317 -0.024215 -0.001099 29O 2dxy -0.048288 0.051688 -0.016504 0.056079 0.000802 -0.052658 29O 1f0 -0.010681 0.011240 -0.001725 0.004351 -0.012858 -0.005743 29O 1f+1 0.005641 -0.004832 0.000900 -0.001641 0.006233 0.001291 29O 1f-1 -0.004404 0.015717 -0.001992 0.004773 -0.012102 -0.008738 29O 1f+2 0.005638 -0.006068 0.000244 -0.003071 0.007999 0.003656 29O 1f-2 -0.011716 0.003492 -0.001281 0.002607 -0.006414 -0.001587 29O 1f+3 0.009262 -0.003930 0.000856 -0.002578 0.006519 0.001392 29O 1f-3 0.006404 -0.001163 0.002701 -0.001940 0.004600 0.000231 30O 1s -0.000694 -0.002295 -0.003542 0.001165 0.004955 -0.003796 30O 2s 0.000021 -0.004707 -0.013463 0.008159 0.014435 -0.008025 30O 3s -0.042148 -0.024677 0.104029 -0.134672 -0.046295 -0.053317 30O 4s 0.178991 0.231156 -0.198593 0.559870 -0.144452 0.377233 30O 5s 0.933038 0.506037 -1.329274 2.286160 0.312419 1.712722 30O 1pz -0.019652 0.013692 -0.017393 0.026379 -0.002302 -0.042161 30O 1px 0.042588 0.009151 -0.017564 -0.006288 0.013817 0.059696 30O 1py 0.014528 0.007099 -0.002982 -0.027161 -0.031015 0.013285 30O 2pz -0.097104 -0.102071 0.086305 -0.274964 0.016567 -0.208624 30O 2px 0.179677 0.145318 -0.179252 0.380799 0.009089 0.295678 30O 2py 0.083423 0.111021 -0.089294 0.298780 -0.008553 0.222656 30O 3pz 0.053647 0.028239 0.376135 -0.539033 0.147432 -0.564372 30O 3px 0.091662 0.480078 -0.357055 1.251179 -0.110220 0.442082 30O 3py 0.097494 -0.367027 -0.404855 0.453208 -0.272623 0.667486 30O 1dz2 0.001782 0.000172 -0.001829 -0.003360 -0.001021 -0.001060 30O 1dxz 0.000074 0.000944 -0.004477 0.005758 -0.001286 0.002756 30O 1dyz 0.001079 0.003798 -0.001278 -0.000590 -0.000275 0.004321 30O 1dx2y2 -0.000456 0.000982 0.001030 -0.000392 -0.004510 0.003033 30O 1dxy 0.000624 -0.000218 0.002534 -0.009618 0.001305 -0.004754 30O 2dz2 -0.022932 -0.137415 0.097491 -0.200894 -0.008801 -0.065870 30O 2dxz -0.087138 -0.084074 -0.040028 -0.129682 -0.070177 -0.240514 30O 2dyz -0.074069 0.030246 0.113804 -0.193772 -0.102160 -0.107654 30O 2dx2y2 -0.003071 0.122426 0.221614 0.115481 -0.105673 0.197496 30O 2dxy 0.139300 -0.014615 -0.115055 0.058835 -0.030559 0.103852 30O 1f0 0.005044 0.001002 -0.004993 0.014447 0.002018 0.014804 30O 1f+1 0.001503 -0.002852 0.001914 0.000172 0.002925 0.002932 30O 1f-1 0.002650 0.000671 -0.002996 0.002010 -0.001358 0.001477 30O 1f+2 -0.000215 -0.002745 0.001974 -0.000731 -0.000619 -0.004210 30O 1f-2 -0.006528 -0.004114 0.010395 -0.011193 -0.003624 -0.013562 30O 1f+3 0.001783 -0.000207 -0.005125 -0.002650 0.000831 0.001485 30O 1f-3 -0.005906 -0.000935 0.008447 -0.008642 0.002517 -0.014858 31O 1s -0.000231 0.002365 -0.003622 -0.001414 0.004800 0.003698 31O 2s 0.001132 0.004628 -0.013653 -0.008966 0.013950 0.007694 31O 3s -0.043253 0.030994 0.103384 0.138946 -0.043990 0.055421 31O 4s 0.168062 -0.262008 -0.192355 -0.560526 -0.146079 -0.381171 31O 5s 0.927059 -0.590537 -1.303331 -2.326821 0.249353 -1.744379 31O 1pz 0.020379 0.012110 0.018255 0.025417 0.005583 -0.042175 31O 1px -0.041357 0.012924 0.015348 -0.004847 -0.017739 0.059891 31O 1py -0.013409 0.009625 0.002604 -0.028390 0.028477 0.013304 31O 2pz 0.102510 -0.115525 -0.083554 -0.277932 -0.019593 -0.211031 31O 2px -0.183177 0.167523 0.174180 0.387276 -0.006142 0.298721 31O 2py -0.090638 0.124003 0.086189 0.301646 0.012415 0.224945 31O 3pz -0.082699 0.027331 -0.364928 -0.536228 -0.174214 -0.570091 31O 3px -0.036890 0.496354 0.359100 1.250067 0.158608 0.456346 31O 3py -0.093102 -0.353424 0.393150 0.448760 0.296001 0.672724 31O 1dz2 0.001859 -0.000345 -0.001855 0.003382 -0.000774 0.001075 31O 1dxz 0.000229 -0.001025 -0.004467 -0.005703 -0.001539 -0.002880 31O 1dyz 0.000427 -0.003818 -0.001143 0.000560 -0.000103 -0.004344 31O 1dx2y2 -0.001213 -0.000930 0.001000 0.000661 -0.004616 -0.003072 31O 1dxy 0.000322 0.000315 0.002505 0.009590 0.001710 0.004854 31O 2dz2 -0.006566 0.145144 0.098429 0.198278 0.000864 0.068565 31O 2dxz -0.077730 0.093369 -0.045775 0.136632 -0.072811 0.239142 31O 2dyz -0.070939 -0.021988 0.114003 0.203240 -0.097443 0.108169 31O 2dx2y2 -0.023705 -0.124573 0.222316 -0.109291 -0.107580 -0.197914 31O 2dxy 0.145327 0.001904 -0.111549 -0.060184 -0.027220 -0.105013 31O 1f0 -0.005706 0.001714 0.004788 0.014780 -0.001684 0.014871 31O 1f+1 -0.002018 -0.002757 -0.001986 0.000432 -0.002984 0.002908 31O 1f-1 -0.002648 0.001064 0.003037 0.001988 0.001364 0.001502 31O 1f+2 -0.000015 -0.002709 -0.001802 -0.000810 0.000812 -0.004251 31O 1f-2 0.006832 -0.004906 -0.010126 -0.011666 0.003711 -0.013663 31O 1f+3 -0.001906 -0.000006 0.005049 -0.002549 -0.001059 0.001417 31O 1f-3 0.006342 -0.001642 -0.008239 -0.008670 -0.002622 -0.014951 32O 1s 0.006835 -0.001435 0.000249 -0.004542 0.006357 -0.000966 32O 2s 0.022736 -0.000381 0.001175 -0.010299 0.020539 -0.004478 32O 3s -0.158993 -0.086824 -0.014867 -0.018655 -0.132593 0.057977 32O 4s 0.198848 0.489770 0.043529 0.411372 0.122628 -0.225178 32O 5s 0.872231 -0.508764 0.056319 -1.113083 0.806816 0.172244 32O 1pz 0.054275 -0.058542 0.012930 -0.003418 -0.019650 0.018647 32O 1px 0.017810 -0.030132 -0.003462 -0.037407 -0.002140 0.010500 32O 1py -0.062171 -0.055501 -0.007792 -0.043407 -0.037709 0.003913 32O 2pz -0.052096 0.084521 -0.014572 0.001250 0.051600 -0.066091 32O 2px -0.104473 0.005435 -0.002317 0.038321 -0.063494 -0.004626 32O 2py 0.157887 0.121631 0.016510 0.049040 0.127228 -0.056462 32O 3pz 0.289293 -0.283419 0.084882 0.254299 -0.163829 -0.051427 32O 3px 0.203306 -0.533181 -0.049601 -0.488274 0.183117 0.107436 32O 3py 0.167136 -0.016822 0.138220 -0.015839 0.138093 0.150966 32O 1dz2 0.004283 -0.000955 0.001124 0.000293 0.001643 0.000822 32O 1dxz 0.001772 0.000999 0.000187 0.001316 0.002089 -0.000895 32O 1dyz 0.004357 -0.005825 0.001077 -0.000069 -0.002662 0.000701 32O 1dx2y2 -0.005989 -0.001005 -0.000174 0.000011 -0.002766 -0.000059 32O 1dxy 0.001874 -0.002159 -0.001824 -0.000429 -0.002223 0.001068 32O 2dz2 0.061468 0.170364 0.017975 0.042544 0.073707 0.003828 32O 2dxz 0.148387 0.020467 0.043298 0.046297 0.064322 -0.070783 32O 2dyz -0.110449 0.127734 0.005181 0.043889 0.066951 -0.094552 32O 2dx2y2 -0.036901 -0.121389 -0.034055 -0.011444 -0.023343 0.002799 32O 2dxy -0.099175 -0.050066 -0.016954 -0.056231 -0.006700 0.052903 32O 1f0 0.015256 0.009585 0.001574 0.003246 0.012289 -0.005073 32O 1f+1 -0.008513 -0.004842 -0.000917 -0.001314 -0.006780 0.001446 32O 1f-1 0.010875 0.015804 0.001907 0.003987 0.012761 -0.008633 32O 1f+2 -0.008830 -0.006278 -0.000329 -0.002696 -0.008719 0.003852 32O 1f-2 0.015362 0.002333 0.001290 0.002086 0.006174 -0.001432 32O 1f+3 -0.011180 -0.003254 -0.000752 -0.002021 -0.006402 0.001280 32O 1f-3 -0.007700 -0.000642 -0.002703 -0.001603 -0.004576 0.000068 33O 1s -0.002200 -0.000733 0.002484 -0.002484 0.002792 -0.000386 33O 2s -0.006302 0.001770 0.010553 -0.011396 0.007620 -0.001465 33O 3s 0.023379 -0.087873 -0.096073 0.133286 -0.008353 0.016567 33O 4s -0.033038 0.494024 0.187372 -0.470509 -0.183906 -0.035179 33O 5s -0.368661 0.450599 1.431966 -2.235814 0.313447 -0.342330 33O 1pz 0.001329 0.040875 -0.015150 0.030889 -0.010052 -0.012678 33O 1px -0.044297 -0.018718 -0.025555 -0.032004 -0.000300 -0.013242 33O 1py -0.025689 0.016504 0.014043 0.007889 -0.041591 -0.001919 33O 2pz -0.054065 0.218431 0.115170 -0.334922 -0.069041 -0.057510 33O 2px -0.006128 -0.261804 -0.180171 0.386868 0.021097 0.044995 33O 2py -0.041292 0.035716 0.000233 -0.056383 -0.024480 -0.011143 33O 3pz -0.096156 -0.030045 0.617634 -0.441926 0.006805 -0.116182 33O 3px 0.395559 -0.341049 -0.480135 1.235073 0.288303 0.199102 33O 3py 0.089553 -0.105081 0.186487 0.201599 -0.101433 -0.002996 33O 1dz2 0.001393 -0.000909 0.000060 0.000636 -0.000146 -0.000431 33O 1dxz -0.003239 0.002199 0.005327 -0.007213 -0.002474 -0.003187 33O 1dyz -0.000640 0.000264 -0.002730 -0.004599 0.001977 0.000370 33O 1dx2y2 -0.000699 -0.001900 -0.000593 0.002518 -0.004546 -0.003574 33O 1dxy -0.003108 0.000652 0.000289 -0.005510 -0.002455 -0.001031 33O 2dz2 0.062162 0.003490 0.074960 -0.030000 0.185445 0.023396 33O 2dxz -0.086337 -0.115319 -0.094623 0.132806 -0.083688 -0.025011 33O 2dyz -0.031344 0.082387 0.182344 -0.147158 -0.004953 -0.039474 33O 2dx2y2 0.056481 0.106990 -0.029299 -0.171059 -0.213675 -0.114376 33O 2dxy -0.021001 0.040018 -0.160810 -0.144525 0.005300 -0.039382 33O 1f0 -0.002008 -0.003419 -0.002008 0.006382 -0.003949 -0.000248 33O 1f+1 -0.002982 -0.005701 -0.005462 0.007273 -0.005212 -0.000230 33O 1f-1 0.000554 0.003750 0.001803 -0.007829 -0.002140 -0.003446 33O 1f+2 0.001119 0.006223 0.012814 -0.010629 -0.001083 -0.003367 33O 1f-2 0.000160 -0.002126 -0.004911 0.001487 -0.001231 -0.000155 33O 1f+3 0.000614 0.004270 0.006356 -0.008151 -0.003199 -0.003598 33O 1f-3 -0.000211 -0.000418 -0.004842 -0.000450 0.002579 0.003901 34O 1s -0.003188 0.001610 -0.002352 -0.001209 0.002107 0.008151 34O 2s -0.012821 0.007100 -0.002693 0.002394 0.003949 0.023150 34O 3s 0.117992 -0.068237 -0.071151 -0.141245 0.025723 -0.074625 34O 4s -0.398623 0.245343 0.432027 0.671148 -0.207264 -0.017715 34O 5s -0.629600 0.147907 0.502191 2.801147 -0.624679 0.352615 34O 1pz -0.005254 0.005087 0.006082 0.007644 -0.033415 -0.008765 34O 1px -0.016105 0.022780 0.003869 -0.005191 0.012740 -0.049910 34O 1py 0.026837 -0.007275 -0.043604 -0.001231 0.047961 0.002222 34O 2pz 0.005781 -0.000596 -0.061164 -0.030392 -0.001677 0.008470 34O 2px -0.239492 0.148359 0.252007 0.665774 -0.106661 0.005300 34O 2py 0.055783 -0.030953 0.001345 -0.144915 0.008486 -0.009178 34O 3pz 0.053786 -0.473067 0.392415 -0.310190 -0.132615 -0.056788 34O 3px -0.701713 0.040080 0.746196 1.581540 -0.853288 0.147827 34O 3py 0.263190 0.478733 -0.767341 -0.076340 0.584927 0.134647 34O 1dz2 -0.002711 0.000716 0.004018 0.004316 -0.002329 -0.001289 34O 1dxz -0.000123 0.000660 0.000250 -0.002505 0.002292 0.001124 34O 1dyz 0.003279 0.000664 0.000521 -0.005457 0.000376 -0.005697 34O 1dx2y2 0.004612 -0.000321 -0.001700 -0.006580 0.001153 -0.003915 34O 1dxy -0.002966 0.000230 0.001719 0.006583 -0.007156 -0.002628 34O 2dz2 0.023599 -0.020678 -0.065076 -0.187328 -0.056092 0.033280 34O 2dxz 0.010775 -0.081585 0.036302 -0.130207 -0.117725 0.066383 34O 2dyz 0.041867 -0.139007 0.072438 -0.192676 0.066557 -0.027593 34O 2dx2y2 -0.043500 0.093620 -0.003167 0.254527 -0.045752 -0.092247 34O 2dxy 0.100639 0.026867 -0.286797 -0.047158 0.018390 -0.071034 34O 1f0 -0.001015 0.002930 0.000275 -0.000730 0.001689 -0.000934 34O 1f+1 0.005266 0.000658 -0.008442 -0.016776 0.005639 0.001983 34O 1f-1 -0.000767 0.001608 -0.000005 0.001823 -0.000939 0.000412 34O 1f+2 0.000716 0.000580 -0.000647 -0.008713 0.000299 0.000200 34O 1f-2 0.001571 -0.003250 0.000976 -0.003171 -0.000854 -0.000891 34O 1f+3 0.007293 0.000698 -0.009955 -0.016055 0.005637 0.003774 34O 1f-3 -0.004161 -0.001096 0.015470 0.012429 -0.004574 -0.004146 35O 1s -0.002097 -0.001862 0.000209 -0.002823 0.003749 0.002801 35O 2s -0.007117 -0.006663 -0.003149 -0.002613 0.007381 0.007759 35O 3s 0.052171 0.059614 0.081880 -0.113018 0.040892 -0.022495 35O 4s -0.179633 -0.192437 -0.358182 0.635768 -0.373635 -0.037942 35O 5s -0.532201 -0.884415 -0.433057 2.370136 -0.173440 0.197473 35O 1pz -0.035337 0.017904 -0.032757 -0.003044 -0.034086 0.006246 35O 1px 0.016131 -0.000731 0.008964 -0.005934 0.018937 -0.026446 35O 1py 0.012125 -0.002077 -0.038880 -0.001327 -0.025871 -0.004045 35O 2pz -0.022210 -0.056866 0.037975 0.066491 0.015663 0.016792 35O 2px -0.069817 -0.282945 -0.196105 0.555245 -0.159949 0.008730 35O 2py -0.036248 -0.137331 -0.059428 0.246057 -0.017038 0.034404 35O 3pz -0.312414 0.605699 -0.691946 -0.072229 -0.751690 -0.206080 35O 3px -0.656287 -0.087172 -0.532515 1.457225 -0.675539 0.078566 35O 3py -0.476812 0.390085 -0.565219 0.428177 -0.692796 -0.032237 35O 1dz2 -0.002410 -0.003520 -0.002201 0.006256 -0.000887 -0.001274 35O 1dxz 0.003267 -0.001792 0.000641 -0.006781 0.002049 -0.001679 35O 1dyz -0.001422 -0.001235 0.001808 0.001755 0.002327 0.003983 35O 1dx2y2 0.001285 0.002848 0.001322 -0.001951 0.000653 -0.000800 35O 1dxy 0.002283 0.001619 0.001892 -0.005726 0.004471 -0.000980 35O 2dz2 -0.021452 0.025388 0.068685 -0.065816 -0.086592 -0.019606 35O 2dxz -0.077928 0.072579 -0.153135 -0.121579 -0.244672 -0.093673 35O 2dyz 0.015592 -0.002273 -0.071967 0.144182 -0.015625 0.087934 35O 2dx2y2 0.033996 -0.081864 0.132957 0.295802 -0.074776 -0.032293 35O 2dxy 0.051363 -0.025476 -0.177096 0.166313 0.004958 -0.009185 35O 1f0 0.001056 -0.000577 0.002589 -0.002128 0.006669 -0.001700 35O 1f+1 0.002712 0.003026 0.006837 -0.013369 0.008893 -0.001671 35O 1f-1 0.002142 0.001785 0.003721 0.001300 0.004469 0.001683 35O 1f+2 -0.000227 0.000938 -0.006568 -0.001553 -0.004246 -0.002020 35O 1f-2 0.001177 -0.002668 -0.004090 0.005881 -0.002691 0.001022 35O 1f+3 0.001916 0.003200 -0.000191 -0.006493 0.003005 -0.000179 35O 1f-3 0.001538 0.007535 0.013711 -0.019668 0.009825 0.001377 354 355 356 357 358 359 1.81557 1.82199 1.83242 1.83442 1.85476 1.86354 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s -0.001233 -0.001766 0.000139 -0.000286 -0.002445 0.000952 0Rh 2s 0.002469 0.006746 0.000394 0.000844 0.007710 -0.004463 0Rh 3s -0.005733 -0.006247 0.001057 -0.001164 -0.009645 0.002863 0Rh 4s -0.011297 -0.032737 -0.002227 -0.004037 -0.036878 0.021873 0Rh 5s -0.011912 0.029700 0.011644 0.001392 0.015478 -0.026697 0Rh 6s 0.136134 0.092432 -0.039041 0.021771 0.194690 -0.033927 0Rh 7s -1.043853 -0.627696 0.382222 -0.133102 -1.676233 0.261206 0Rh 8s 0.116307 0.357734 -0.283504 0.002725 0.274319 0.053331 0Rh 1pz -0.010952 -0.011245 -0.005119 -0.019443 0.011956 -0.006987 0Rh 1px -0.012801 -0.012010 0.007420 -0.007807 -0.011953 0.004189 0Rh 1py -0.003421 -0.013796 -0.019327 0.004704 0.004263 -0.000611 0Rh 2pz 0.037137 0.038252 0.017201 0.065815 -0.040027 0.023857 0Rh 2px 0.042462 0.041339 -0.024690 0.026391 0.039467 -0.014563 0Rh 2py 0.011437 0.047261 0.065206 -0.015888 -0.014489 0.001727 0Rh 3pz -0.001262 -0.004757 0.001873 0.000089 -0.012456 -0.004467 0Rh 3px 0.019006 -0.014918 -0.009938 0.000769 0.022146 0.007914 0Rh 3py 0.003183 -0.012825 0.006004 -0.000350 0.001150 0.006508 0Rh 4pz -0.225382 -0.213091 -0.108221 -0.406514 0.314282 -0.127252 0Rh 4px -0.342661 -0.192421 0.197233 -0.165766 -0.337770 0.058961 0Rh 4py -0.084528 -0.234669 -0.434958 0.096729 0.085016 -0.032081 0Rh 5pz 0.363036 0.343048 0.157992 0.658292 -0.588123 0.195316 0Rh 5px 0.600360 0.277890 -0.345622 0.269692 0.607845 -0.091502 0Rh 5py 0.144084 0.355071 0.742389 -0.147511 -0.138887 0.040236 0Rh 6pz -0.081499 -0.868153 -0.614561 -0.844534 0.133952 -0.308921 0Rh 6px -1.015441 0.490101 0.169445 -0.422104 -1.691307 -0.001782 0Rh 6py -0.059046 -0.270673 -0.709176 0.407355 0.523840 -0.289008 0Rh 1dz2 0.017889 0.002345 -0.001487 -0.025884 -0.005468 -0.001869 0Rh 1dxz 0.001771 0.010774 -0.000882 -0.013211 -0.007233 -0.000559 0Rh 1dyz -0.013330 0.004978 0.001053 0.011129 -0.001133 -0.001513 0Rh 1dx2y2 0.020781 -0.009514 -0.006302 -0.018412 0.007284 0.005091 0Rh 1dxy 0.004237 0.005048 -0.006569 0.000202 0.005075 -0.001316 0Rh 2dz2 -0.003050 -0.001782 0.001264 0.003337 0.003701 0.000505 0Rh 2dxz 0.002485 -0.001325 -0.000564 0.003922 -0.000030 0.000537 0Rh 2dyz 0.004233 -0.001943 -0.000425 -0.002858 0.000466 0.000909 0Rh 2dx2y2 -0.003629 0.002311 0.000043 0.003377 -0.003888 -0.000887 0Rh 2dxy -0.000174 0.000097 0.005013 -0.000496 -0.002067 -0.000305 0Rh 3dz2 -0.030839 0.001969 -0.001835 0.049415 -0.002345 0.002377 0Rh 3dxz -0.014985 -0.020472 0.004528 0.015678 0.017958 -0.000995 0Rh 3dyz 0.014264 -0.003702 -0.001065 -0.014973 0.000726 -0.000239 0Rh 3dx2y2 -0.035354 0.013189 0.015236 0.030798 -0.001348 -0.008673 0Rh 3dxy -0.009771 -0.012522 -0.005378 0.001736 -0.003713 0.004410 0Rh 4dz2 -0.052171 -0.025395 0.018882 0.059934 0.051254 0.008781 0Rh 4dxz 0.031064 -0.029456 -0.005300 0.061730 0.004130 0.008322 0Rh 4dyz 0.069322 -0.031015 -0.001350 -0.047509 0.007862 0.014187 0Rh 4dx2y2 -0.061199 0.039769 0.005381 0.057216 -0.054005 -0.016173 0Rh 4dxy -0.002827 -0.007664 0.072025 -0.008553 -0.030038 -0.000098 0Rh 5dz2 0.190500 0.097257 -0.081132 -0.211172 -0.185861 -0.042452 0Rh 5dxz -0.118057 0.181332 0.007728 -0.248983 -0.016310 -0.029121 0Rh 5dyz -0.300771 0.152107 -0.045963 0.193780 -0.032790 -0.071932 0Rh 5dx2y2 0.226533 -0.180929 -0.026370 -0.218858 0.193811 0.063742 0Rh 5dxy -0.010248 0.110391 -0.294369 0.047124 0.117187 -0.042290 0Rh 1f0 0.066045 -0.051725 -0.052938 0.078355 0.023185 -0.015183 0Rh 1f+1 0.034094 -0.014176 -0.021349 0.049214 -0.062314 -0.020712 0Rh 1f-1 -0.054540 -0.125855 -0.096116 -0.071074 0.001184 -0.069008 0Rh 1f+2 0.021254 0.054289 0.015764 0.099286 0.063493 0.013447 0Rh 1f-2 -0.044148 0.005265 -0.018054 0.033497 0.008935 -0.051469 0Rh 1f+3 -0.023957 0.005504 -0.040807 -0.064625 -0.048893 -0.013846 0Rh 1f-3 0.021844 -0.053763 0.089956 0.001606 -0.006274 0.006796 1Rh 1s -0.001247 0.001732 0.000106 -0.000263 -0.002432 -0.000936 1Rh 2s 0.002515 -0.006694 0.000507 0.000745 0.007661 0.004422 1Rh 3s -0.005786 0.006081 0.000935 -0.001087 -0.009598 -0.002797 1Rh 4s -0.011519 0.032509 -0.002772 -0.003559 -0.036640 -0.021677 1Rh 5s -0.011765 -0.030299 0.012058 0.000921 0.015279 0.026736 1Rh 6s 0.137002 -0.087924 -0.037194 0.020503 0.193932 0.032262 1Rh 7s -1.052132 0.590590 0.372000 -0.120246 -1.665471 -0.246605 1Rh 8s 0.113944 -0.351552 -0.271344 -0.001753 0.269282 -0.052500 1Rh 1pz 0.010725 -0.011315 0.005753 0.019370 -0.011582 -0.006932 1Rh 1px 0.012733 -0.011700 -0.007016 0.007674 0.012291 0.004181 1Rh 1py 0.003445 -0.013202 0.019685 -0.004540 -0.004532 -0.001325 1Rh 2pz -0.036360 0.038480 -0.019353 -0.065580 0.038755 0.023672 1Rh 2px -0.042234 0.040309 0.023308 -0.025926 -0.040618 -0.014547 1Rh 2py -0.011527 0.045258 -0.066436 0.015326 0.015404 0.004149 1Rh 3pz 0.001066 -0.004517 -0.001704 0.000141 0.012560 -0.004576 1Rh 3px -0.019006 -0.015371 0.010294 -0.001110 -0.022014 0.008171 1Rh 3py -0.003011 -0.013110 -0.005579 0.000509 -0.001270 0.006490 1Rh 4pz 0.221472 -0.215449 0.120505 0.404252 -0.307001 -0.125514 1Rh 4px 0.341226 -0.184144 -0.190247 0.164306 0.344313 0.057833 1Rh 4py 0.084435 -0.220750 0.440750 -0.093873 -0.090026 -0.047373 1Rh 5pz -0.357214 0.347323 -0.177158 -0.654858 0.577116 0.191748 1Rh 5px -0.597671 0.263262 0.335175 -0.267960 -0.618660 -0.089193 1Rh 5py -0.144024 0.330859 -0.751275 0.142899 0.146645 0.066419 1Rh 6pz 0.078832 -0.889195 0.656183 0.833841 -0.132062 -0.306771 1Rh 6px 0.999005 0.519192 -0.167612 0.439335 1.728282 -0.015038 1Rh 6py 0.053181 -0.275262 0.717371 -0.402654 -0.544837 -0.310901 1Rh 1dz2 0.018050 -0.003035 -0.001423 -0.025841 -0.005593 0.001837 1Rh 1dxz 0.001690 -0.011191 -0.000604 -0.013212 -0.006749 0.000686 1Rh 1dyz -0.013384 -0.005087 0.001390 0.011168 -0.001637 0.001510 1Rh 1dx2y2 0.020763 0.009651 -0.006582 -0.018532 0.007356 -0.005093 1Rh 1dxy 0.004358 -0.005183 -0.006347 0.000436 0.004935 0.001059 1Rh 2dz2 -0.003072 0.001942 0.001186 0.003293 0.003749 -0.000462 1Rh 2dxz 0.002481 0.001438 -0.000584 0.003914 -0.000106 -0.000563 1Rh 2dyz 0.004224 0.001957 -0.000562 -0.002920 0.000765 -0.000774 1Rh 2dx2y2 -0.003651 -0.002400 0.000104 0.003397 -0.003812 0.000938 1Rh 2dxy -0.000195 0.000090 0.004987 -0.000508 -0.001959 0.000349 1Rh 3dz2 -0.031138 -0.000967 -0.001649 0.049501 -0.002265 -0.002488 1Rh 3dxz -0.014775 0.021012 0.003940 0.015717 0.017092 0.000791 1Rh 3dyz 0.014435 0.003888 -0.001282 -0.014787 0.000621 -0.000351 1Rh 3dx2y2 -0.035213 -0.013152 0.015658 0.031009 -0.001874 0.008455 1Rh 3dxy -0.009970 0.012053 -0.005794 0.001214 -0.003865 -0.003970 1Rh 4dz2 -0.052588 0.028042 0.017625 0.059226 0.052531 -0.008033 1Rh 4dxz 0.031145 0.031162 -0.005883 0.061566 0.002731 -0.008739 1Rh 4dyz 0.069244 0.031593 -0.003827 -0.048669 0.013709 -0.012015 1Rh 4dx2y2 -0.061494 -0.040870 0.006406 0.057523 -0.052651 0.016891 1Rh 4dxy -0.003303 0.010267 0.071188 -0.008964 -0.027773 0.000927 1Rh 5dz2 0.192564 -0.107993 -0.073546 -0.206797 -0.202395 0.037999 1Rh 5dxz -0.119219 -0.187262 0.011786 -0.247970 -0.009910 0.030811 1Rh 5dyz -0.300777 -0.157960 -0.028846 0.203167 -0.082760 0.059215 1Rh 5dx2y2 0.227027 0.183886 -0.030210 -0.219223 0.184447 -0.067333 1Rh 5dxy -0.007146 -0.120933 -0.285891 0.051193 0.096749 0.038648 1Rh 1f0 -0.066086 -0.050213 0.053593 -0.077121 -0.025482 -0.016720 1Rh 1f+1 -0.034812 -0.014004 0.022142 -0.050032 0.064472 -0.019465 1Rh 1f-1 0.053345 -0.124765 0.101596 0.070584 -0.002102 -0.072530 1Rh 1f+2 -0.020399 0.056443 -0.019691 -0.097369 -0.069357 0.012434 1Rh 1f-2 0.043859 0.003423 0.016263 -0.034040 -0.007500 -0.049267 1Rh 1f+3 0.023348 0.007557 0.042088 0.063645 0.050888 -0.013838 1Rh 1f-3 -0.020890 -0.057274 -0.087944 -0.000946 0.003573 0.003865 2C 1s -0.011136 -0.026437 -0.001284 0.001822 -0.015939 0.001251 2C 2s -0.038677 -0.092083 -0.007028 0.005688 -0.053740 0.007262 2C 3s 0.519171 1.168392 0.138295 -0.078713 0.712772 -0.155018 2C 4s -1.602160 -3.475476 -0.530714 0.303222 -2.155879 0.551283 2C 5s 0.131491 -0.124941 -0.742368 -0.168090 0.994763 0.162194 2C 1pz 0.013067 0.311762 0.118929 0.004127 0.132749 -0.149420 2C 1px -0.048032 0.112134 -0.007486 0.063647 0.103057 0.023829 2C 1py 0.178845 0.226299 -0.041212 0.022889 0.152348 0.186067 2C 2pz -0.364505 -1.675244 -0.629312 0.156849 -0.782586 0.748845 2C 2px -0.034310 -0.516587 -0.051748 -0.247964 -0.225710 -0.014688 2C 2py -0.815158 -1.202885 -0.029504 -0.088728 -0.675780 -0.502944 2C 3pz -0.108940 -0.393021 -0.092745 -0.063991 -0.122232 0.002621 2C 3px -0.135447 -0.121814 -0.049721 0.012293 -0.090702 0.056211 2C 3py -0.023947 -0.218280 -0.153425 0.146293 0.037469 0.139685 2C 1dz2 0.009542 0.008561 0.008567 -0.027780 0.006591 -0.018639 2C 1dxz 0.001214 -0.006234 0.004809 -0.013557 -0.031723 -0.020297 2C 1dyz -0.005646 -0.000737 0.014092 0.003723 -0.003726 -0.019849 2C 1dx2y2 0.002087 -0.009806 0.008794 -0.030605 -0.001985 -0.032856 2C 1dxy 0.028803 -0.005072 -0.018811 0.015016 -0.009132 0.038682 2C 2dz2 -0.141891 -0.488997 -0.162568 0.054425 -0.289262 0.199591 2C 2dxz -0.172172 -0.217921 -0.063027 -0.006136 0.001586 -0.004359 2C 2dyz -0.312002 -0.796508 -0.174948 -0.008644 -0.424357 0.092330 2C 2dx2y2 0.086460 0.193675 0.076337 -0.046652 0.078152 -0.040160 2C 2dxy 0.004139 -0.154862 -0.095698 -0.016317 0.011545 0.130812 2C 1f0 -0.022971 -0.008412 0.026655 -0.042028 -0.021069 -0.071989 2C 1f+1 0.015094 -0.017493 -0.018311 -0.003660 -0.012929 0.047483 2C 1f-1 -0.010253 0.017523 -0.006661 0.021744 0.000366 0.034144 2C 1f+2 0.021226 0.005011 -0.007541 -0.007207 0.019428 0.004073 2C 1f-2 -0.027786 -0.007463 0.008648 0.001451 -0.019206 -0.024863 2C 1f+3 -0.021993 -0.008167 0.011602 -0.022837 -0.000293 -0.059761 2C 1f-3 -0.006770 -0.015526 -0.003354 -0.003299 -0.007639 0.003964 3C 1s -0.006741 0.004955 0.000738 -0.003629 -0.016899 -0.005189 3C 2s -0.023267 0.018114 0.002964 -0.013245 -0.059002 -0.019613 3C 3s 0.275165 -0.214578 -0.085755 0.198901 0.773837 0.308387 3C 4s -0.691586 0.567020 0.403850 -0.712460 -2.313910 -1.058040 3C 5s -0.166752 0.378338 0.404422 -0.060019 -0.224318 -0.113650 3C 1pz -0.054553 -0.010500 -0.075361 0.094347 0.089047 0.134376 3C 1px -0.075841 -0.030751 0.010827 -0.005185 0.137371 0.184579 3C 1py -0.188691 0.132039 -0.083142 -0.004118 -0.192811 0.054159 3C 2pz 0.158914 0.106764 0.311253 -0.401632 -0.549548 -0.628852 3C 2px 0.206400 0.134854 0.244938 -0.057700 -0.516080 -0.764197 3C 2py 0.633944 -0.500730 0.146445 0.288101 1.042421 0.120806 3C 3pz -0.028560 0.086960 -0.082642 -0.091585 -0.101084 0.041140 3C 3px -0.120348 0.076172 0.051916 -0.027671 -0.047082 -0.032764 3C 3py 0.095453 -0.136905 -0.160516 0.020517 0.405408 0.200943 3C 1dz2 0.023397 -0.004813 0.013574 -0.017816 0.003717 -0.017099 3C 1dxz -0.019043 0.005106 -0.037589 -0.023210 -0.010395 0.045508 3C 1dyz 0.000185 -0.001480 0.005801 -0.000349 -0.007253 -0.015746 3C 1dx2y2 0.003358 0.002282 -0.029691 -0.021284 -0.008162 0.014282 3C 1dxy -0.010523 -0.001842 0.013379 0.005767 0.021313 0.012808 3C 2dz2 0.118789 -0.060903 0.021005 -0.001439 0.075311 -0.041438 3C 2dxz -0.113688 0.062792 0.055664 -0.069538 -0.097129 -0.009961 3C 2dyz 0.137356 -0.147587 0.017371 0.119310 0.453152 0.246941 3C 2dx2y2 0.043832 -0.096010 -0.000925 0.148588 0.297221 0.127162 3C 2dxy 0.020142 -0.102722 -0.146675 0.103937 0.219351 0.222589 3C 1f0 -0.032763 0.014662 -0.039365 0.008783 -0.006164 0.050041 3C 1f+1 0.013466 -0.000500 0.004579 -0.003511 -0.012476 -0.033204 3C 1f-1 0.013268 -0.007572 0.025954 0.012611 -0.005036 -0.043085 3C 1f+2 0.000772 0.018529 -0.015039 0.006328 -0.004673 -0.009680 3C 1f-2 -0.012013 0.005126 -0.014990 0.006624 0.013389 0.032502 3C 1f+3 -0.040685 0.008568 -0.020006 -0.009636 -0.014004 0.057775 3C 1f-3 0.000043 -0.000021 -0.016009 -0.021711 0.010594 0.031033 4C 1s 0.006819 0.003676 0.000915 0.001835 0.008100 -0.004653 4C 2s 0.023943 0.014408 0.002619 0.006077 0.030010 -0.015630 4C 3s -0.438598 -0.839433 -0.112153 -0.110910 -0.713450 0.324145 4C 4s 1.833543 4.364106 0.526089 0.371064 3.189991 -1.239325 4C 5s 0.148127 0.504816 0.420560 0.282615 0.388096 -0.618238 4C 1pz 0.081693 -0.053321 -0.048061 -0.084393 0.034613 0.025927 4C 1px 0.118558 0.121318 0.120383 0.106313 -0.021999 0.019103 4C 1py 0.053503 0.050041 0.051329 -0.019173 0.011140 -0.087285 4C 2pz -0.418743 -0.367595 0.042774 0.535000 -0.694158 0.025609 4C 2px -1.055831 -1.521228 -1.109954 -0.925018 0.483479 0.041913 4C 2py -0.509467 -0.857134 -0.520423 0.017573 -0.215542 0.391887 4C 3pz -0.514165 -1.315637 -0.376552 0.198642 -0.098020 -0.053427 4C 3px -0.046210 -1.079533 -0.404045 0.020972 -0.656683 0.070650 4C 3py -0.208558 -1.131580 -0.372930 -0.014031 -0.305945 0.007903 4C 1dz2 -0.015394 -0.015105 0.001588 0.021406 -0.009502 0.000914 4C 1dxz -0.017721 -0.005464 0.013723 -0.000812 -0.023173 -0.027095 4C 1dyz -0.000875 -0.020105 0.015290 -0.019850 -0.024775 -0.028906 4C 1dx2y2 -0.006123 0.021260 0.003482 0.005070 0.014631 -0.016342 4C 1dxy 0.023752 0.012082 -0.011769 0.017877 0.011028 0.032391 4C 2dz2 0.267249 0.513524 0.242249 0.166122 -0.211210 0.020158 4C 2dxz -0.310201 -0.247618 -0.249108 -0.330532 0.351475 0.226596 4C 2dyz 0.224864 0.628280 0.144942 0.026037 0.244650 -0.042665 4C 2dx2y2 0.105576 0.041453 -0.118692 0.177040 0.291811 0.093182 4C 2dxy -0.277992 -0.053551 -0.085846 -0.346283 0.463662 -0.427330 4C 1f0 0.016065 -0.028356 -0.013441 -0.031626 -0.008532 0.029748 4C 1f+1 0.010470 -0.032787 -0.003602 -0.032599 -0.035640 -0.007976 4C 1f-1 -0.030188 -0.093520 -0.018718 -0.013187 -0.052486 0.001731 4C 1f+2 0.023599 0.078643 0.010002 -0.005964 0.034695 -0.016563 4C 1f-2 -0.007995 -0.049217 -0.002600 0.023646 -0.030309 0.025908 4C 1f+3 0.018353 0.017624 0.002633 -0.005276 -0.002990 0.015273 4C 1f-3 -0.022566 -0.002153 0.003910 0.031333 -0.002958 0.022085 5C 1s 0.005195 0.001545 -0.004111 -0.000286 0.009134 0.000830 5C 2s 0.018423 0.004514 -0.013590 -0.000425 0.033191 0.003969 5C 3s -0.411524 0.153506 0.084647 -0.035897 -0.839806 -0.244651 5C 4s 1.768706 -1.009456 -0.115287 0.311639 3.764067 1.249779 5C 5s 0.445588 -0.570173 0.198361 -0.131816 0.590239 0.453036 5C 1pz 0.008991 0.057934 0.002333 -0.021300 -0.021737 -0.037106 5C 1px 0.036646 0.038193 -0.093346 0.171380 0.094933 0.026050 5C 1py 0.058929 -0.004950 0.096426 -0.042452 0.025921 -0.074800 5C 2pz 0.031269 -0.074911 -0.159023 0.120731 -0.115245 -0.003915 5C 2px -0.394991 0.205678 0.965367 -1.324507 -0.696086 -0.324292 5C 2py -0.187960 -0.040103 -0.293526 0.288529 0.319351 0.491632 5C 3pz -0.267052 0.151657 0.426787 0.047890 -0.491455 -0.151138 5C 3px -0.197765 0.394719 -0.347109 -0.490277 -1.203519 -0.258467 5C 3py 0.309333 -0.430131 -0.442649 0.292596 1.093614 0.234263 5C 1dz2 -0.005636 -0.010223 0.022964 0.018208 -0.005401 -0.017254 5C 1dxz -0.032346 0.003206 -0.019880 0.001345 -0.012844 0.035874 5C 1dyz 0.015981 -0.002735 -0.000217 -0.009968 0.009830 -0.008345 5C 1dx2y2 0.001068 -0.007627 -0.004666 0.011396 0.019673 0.005277 5C 1dxy -0.011395 0.002835 -0.006523 -0.003247 0.013712 0.020556 5C 2dz2 -0.150389 0.056450 -0.243488 0.083611 -0.278222 0.037608 5C 2dxz -0.011041 0.000518 0.367100 0.020845 -0.032431 -0.385413 5C 2dyz -0.172585 0.172553 0.215503 -0.198150 -0.342801 -0.219115 5C 2dx2y2 0.099220 0.011063 0.428079 -0.243099 0.087675 -0.186225 5C 2dxy 0.214724 -0.037292 -0.382190 0.170482 -0.103899 -0.186359 5C 1f0 0.026420 -0.013154 0.005786 -0.009897 0.026791 -0.014882 5C 1f+1 0.007402 -0.017788 -0.010248 -0.028723 -0.012334 0.021585 5C 1f-1 -0.017388 0.010692 -0.008076 0.020755 -0.005618 0.019718 5C 1f+2 0.006278 -0.016184 0.004318 0.030245 0.048676 0.023952 5C 1f-2 0.017035 -0.033356 0.026790 0.009747 0.061499 0.011909 5C 1f+3 -0.022625 0.014790 -0.004684 0.013110 -0.036854 -0.030758 5C 1f-3 0.043916 -0.027737 -0.007700 -0.028023 0.031386 0.001215 6C 1s 0.005108 -0.001651 -0.004085 -0.000242 0.008961 -0.000858 6C 2s 0.018108 -0.004794 -0.013537 -0.000293 0.032685 -0.004103 6C 3s -0.395489 -0.148010 0.092908 -0.038100 -0.841441 0.245271 6C 4s 1.688954 0.991157 -0.161874 0.316107 3.794551 -1.255137 6C 5s 0.428139 0.555840 0.166983 -0.116575 0.570355 -0.448533 6C 1pz -0.008915 0.057937 -0.003371 0.021560 0.017536 -0.034014 6C 1px -0.037307 0.038875 0.090749 -0.171083 -0.079128 0.022371 6C 1py -0.059429 -0.007770 -0.097974 0.040314 -0.023297 -0.082110 6C 2pz -0.037559 -0.082878 0.151947 -0.126276 0.182055 -0.033865 6C 2px 0.394294 0.187187 -0.944837 1.330389 0.501680 -0.279182 6C 2py 0.199244 -0.017432 0.304619 -0.278107 -0.363405 0.538035 6C 3pz 0.254842 0.106144 -0.425018 -0.044598 0.494578 -0.137434 6C 3px 0.187147 0.392107 0.327056 0.477503 1.227457 -0.261994 6C 3py -0.289738 -0.373594 0.450870 -0.293743 -1.106601 0.217091 6C 1dz2 -0.005571 0.010878 0.022821 0.018146 -0.004821 0.017651 6C 1dxz -0.032422 -0.003749 -0.020078 0.001411 -0.013797 -0.035887 6C 1dyz 0.015981 0.003108 -0.000062 -0.009994 0.010260 0.008320 6C 1dx2y2 0.000874 0.008598 -0.004468 0.011027 0.020790 -0.005472 6C 1dxy -0.011534 -0.001944 -0.006319 -0.003451 0.014006 -0.020843 6C 2dz2 -0.143444 -0.060230 -0.234458 0.085500 -0.307767 -0.027112 6C 2dxz -0.010301 0.001512 0.363191 0.015911 0.014590 0.373329 6C 2dyz -0.164157 -0.161048 0.215359 -0.202667 -0.310850 0.207619 6C 2dx2y2 0.098549 0.006444 0.417062 -0.243318 0.131710 0.175010 6C 2dxy 0.219675 0.035332 -0.367148 0.179761 -0.188419 0.216152 6C 1f0 -0.025827 -0.012637 -0.005265 0.010071 -0.029854 -0.014492 6C 1f+1 -0.007853 -0.017612 0.010519 0.028829 0.014492 0.021829 6C 1f-1 0.017473 0.010482 0.007852 -0.020600 0.004707 0.020019 6C 1f+2 -0.005155 -0.016160 -0.004127 -0.030469 -0.047933 0.023408 6C 1f-2 -0.015759 -0.033929 -0.026163 -0.010095 -0.059817 0.011610 6C 1f+3 0.021459 0.014153 0.003493 -0.013073 0.039434 -0.031225 6C 1f-3 -0.043172 -0.026833 0.008752 0.027881 -0.031104 0.000557 7C 1s 0.006825 -0.003087 0.001004 0.001913 0.008164 0.004540 7C 2s 0.023934 -0.012439 0.003000 0.006393 0.030166 0.015251 7C 3s -0.438349 0.807998 -0.137486 -0.121920 -0.706928 -0.313605 7C 4s 1.829005 -4.250277 0.661788 0.424548 3.153103 1.195459 7C 5s 0.157587 -0.487507 0.421933 0.290447 0.384098 0.600115 7C 1pz -0.079538 -0.056243 0.049605 0.079117 -0.033645 0.020713 7C 1px -0.118584 0.122103 -0.120507 -0.103853 0.009977 0.020912 7C 1py -0.053146 0.045024 -0.052964 0.019042 -0.012638 -0.092517 7C 2pz 0.400057 -0.336780 -0.016739 -0.494640 0.645802 0.058103 7C 2px 1.061354 -1.508841 1.113272 0.893997 -0.322683 0.019094 7C 2py 0.502452 -0.825499 0.544807 -0.011761 0.240848 0.412831 7C 3pz 0.507119 -1.232360 0.416917 -0.194259 0.104318 -0.082095 7C 3px 0.047463 -1.084709 0.447596 -0.014761 0.625617 0.060812 7C 3py 0.206379 -1.089284 0.411983 0.021407 0.296993 -0.010965 7C 1dz2 -0.015077 0.015255 0.000803 0.021454 -0.009453 -0.001291 7C 1dxz -0.017645 0.006230 0.013582 -0.000815 -0.023134 0.027616 7C 1dyz -0.001031 0.020954 0.014490 -0.019324 -0.025082 0.029603 7C 1dx2y2 -0.006414 -0.020215 0.004658 0.005139 0.014734 0.016559 7C 1dxy 0.023921 -0.012350 -0.011704 0.017991 0.011485 -0.033071 7C 2dz2 0.261594 -0.497071 0.248510 0.162053 -0.172887 -0.023104 7C 2dxz -0.314283 0.239347 -0.240197 -0.310851 0.283612 -0.221343 7C 2dyz 0.222130 -0.618865 0.166007 0.035128 0.242688 0.041801 7C 2dx2y2 0.110969 -0.043058 -0.121952 0.178520 0.281605 -0.105504 7C 2dxy -0.278976 0.059542 -0.074195 -0.329615 0.407797 0.436018 7C 1f0 -0.016371 -0.026240 0.014240 0.031549 0.008727 0.029860 7C 1f+1 -0.010461 -0.031510 0.004291 0.032871 0.034612 -0.009413 7C 1f-1 0.029573 -0.091926 0.022018 0.014246 0.050399 0.000529 7C 1f+2 -0.023989 0.078855 -0.012022 0.005577 -0.036546 -0.015821 7C 1f-2 0.007949 -0.048512 0.004143 -0.023138 0.030373 0.026080 7C 1f+3 -0.018581 0.018037 -0.002304 0.005983 0.000932 0.016114 7C 1f-3 0.022967 -0.001924 -0.003504 -0.030872 0.000297 0.021971 8C 1s -0.006337 -0.004904 0.000810 -0.003482 -0.017309 0.005355 8C 2s -0.021838 -0.017765 0.003328 -0.012808 -0.060263 0.020142 8C 3s 0.256520 0.206116 -0.091853 0.193806 0.788822 -0.318592 8C 4s -0.636219 -0.530327 0.422808 -0.696191 -2.359554 1.099096 8C 5s -0.166101 -0.303758 0.424625 -0.078611 -0.193530 0.073732 8C 1pz 0.059087 -0.008347 0.077521 -0.092544 -0.091245 0.141251 8C 1px 0.076036 -0.033411 -0.011470 0.005310 -0.137178 0.182599 8C 1py 0.185181 0.131543 0.080313 0.005112 0.198599 0.056451 8C 2pz -0.180417 0.088147 -0.324372 0.392578 0.564571 -0.660833 8C 2px -0.210555 0.130461 -0.241912 0.058918 0.498575 -0.755067 8C 2py -0.611448 -0.481418 -0.130588 -0.289384 -1.067362 0.124690 8C 3pz 0.029568 0.084853 0.081551 0.092982 0.105594 0.048752 8C 3px 0.116632 0.067741 -0.055329 0.030487 0.047784 -0.033968 8C 3py -0.086687 -0.117008 0.166544 -0.020298 -0.405123 0.198812 8C 1dz2 0.023360 0.004767 0.013316 -0.017948 0.004119 0.016885 8C 1dxz -0.019183 -0.006288 -0.037476 -0.023023 -0.011488 -0.045372 8C 1dyz 0.000468 0.002470 0.006417 -0.000091 -0.007042 0.016900 8C 1dx2y2 0.003486 -0.002814 -0.029500 -0.021352 -0.008567 -0.014453 8C 1dxy -0.010603 0.002824 0.012970 0.005491 0.021811 -0.013587 8C 2dz2 0.116522 0.058224 0.020457 0.000440 0.073396 0.043919 8C 2dxz -0.111138 -0.056931 0.055858 -0.068905 -0.094766 0.010530 8C 2dyz 0.126708 0.141169 0.010073 0.118242 0.465248 -0.255117 8C 2dx2y2 0.037421 0.089742 -0.006720 0.146055 0.309593 -0.133833 8C 2dxy 0.013344 0.094007 -0.148978 0.104934 0.210360 -0.222944 8C 1f0 0.032701 0.015554 0.039330 -0.008396 0.007447 0.050997 8C 1f+1 -0.013659 -0.000070 -0.004384 0.003839 0.011685 -0.032604 8C 1f-1 -0.013598 -0.008178 -0.026110 -0.012910 0.004152 -0.044403 8C 1f+2 -0.000892 0.018875 0.014515 -0.005906 0.003379 -0.008527 8C 1f-2 0.012353 0.005271 0.015147 -0.006517 -0.012793 0.033580 8C 1f+3 0.040482 0.008869 0.019890 0.009710 0.013893 0.057632 8C 1f-3 0.000179 0.000357 0.016270 0.021549 -0.010411 0.031116 9C 1s -0.010877 0.025772 -0.002182 0.001475 -0.015762 -0.001164 9C 2s -0.037827 0.089697 -0.010101 0.004431 -0.053125 -0.006942 9C 3s 0.508884 -1.135541 0.177122 -0.060926 0.704228 0.154972 9C 4s -1.570478 3.371982 -0.647682 0.245233 -2.129976 -0.564679 9C 5s 0.117791 0.070651 -0.735279 -0.157761 0.980602 -0.123494 9C 1pz -0.011301 0.302292 -0.131418 -0.006311 -0.130108 -0.150183 9C 1px 0.051552 0.114028 0.000033 -0.059416 -0.098307 0.019368 9C 1py -0.178672 0.232433 0.035935 -0.026059 -0.153018 0.192215 9C 2pz 0.351009 -1.617822 0.692253 -0.131751 0.763530 0.760557 9C 2px 0.021339 -0.512032 0.076319 0.233718 0.225573 0.000859 9C 2py 0.810772 -1.204979 0.061030 0.110063 0.679892 -0.516644 9C 3pz 0.105953 -0.373419 0.102208 0.069295 0.114090 -0.008078 9C 3px 0.137514 -0.107286 0.045957 -0.006352 0.100734 0.055907 9C 3py 0.025638 -0.206811 0.164004 -0.146414 -0.033894 0.138124 9C 1dz2 0.009703 -0.008537 0.008771 -0.027570 0.005834 0.018964 9C 1dxz 0.000802 0.007142 0.004995 -0.014016 -0.031407 0.021156 9C 1dyz -0.005657 0.002028 0.013970 0.004258 -0.003831 0.020591 9C 1dx2y2 0.001827 0.010334 0.008915 -0.030608 -0.002137 0.034174 9C 1dxy 0.028679 0.004865 -0.019380 0.014608 -0.008453 -0.038881 9C 2dz2 -0.136349 0.472712 -0.180328 0.044997 -0.277374 -0.203544 9C 2dxz -0.169746 0.208651 -0.066620 -0.008141 -0.006587 0.004506 9C 2dyz -0.308755 0.782537 -0.201681 -0.020170 -0.419134 -0.092945 9C 2dx2y2 0.083152 -0.188434 0.085058 -0.040474 0.078064 0.042684 9C 2dxy 0.005386 0.146588 -0.100351 -0.017241 0.005032 -0.131430 9C 1f0 0.023071 -0.009579 -0.027055 0.042029 0.020864 -0.073787 9C 1f+1 -0.015015 -0.016306 0.018933 0.004010 0.013455 0.047577 9C 1f-1 0.009676 0.019368 0.006278 -0.020519 -0.000476 0.035871 9C 1f+2 -0.021444 0.004508 0.007385 0.007436 -0.019161 0.003290 9C 1f-2 0.027670 -0.007308 -0.008903 -0.001104 0.019956 -0.024502 9C 1f+3 0.022527 -0.009510 -0.012448 0.022591 0.001742 -0.061824 9C 1f-3 0.006991 -0.015938 0.003785 0.003037 0.007260 0.002837 10H 1s -0.016444 0.016111 0.023753 -0.039442 0.031100 -0.046314 10H 2s 0.028052 0.026535 -0.175367 0.165603 0.163213 0.168084 10H 3s -0.019756 -0.172490 0.200945 -0.035285 -0.188652 -0.137043 10H 1pz -0.142670 -0.092659 -0.008672 0.038874 0.010927 -0.024905 10H 1px -0.082416 -0.066355 -0.002797 -0.002613 -0.017495 0.001294 10H 1py -0.013519 -0.083801 -0.068926 0.001238 0.002579 0.144532 11H 1s -0.042630 0.047807 0.051653 -0.046737 -0.027300 -0.129200 11H 2s 0.389289 -0.222169 -0.263055 -0.004298 0.014229 0.540702 11H 3s -0.326714 -0.322831 0.160833 -0.061339 -0.459614 -0.231857 11H 1pz 0.009850 -0.171549 -0.059646 -0.054935 -0.123619 0.063278 11H 1px 0.032637 0.035309 -0.040309 0.006977 0.085005 0.101402 11H 1py -0.002397 -0.118570 -0.064926 -0.045009 -0.064347 0.113103 12H 1s 0.069896 0.062874 -0.053831 0.110586 0.017988 0.185231 12H 2s -0.290444 -0.280274 0.214038 -0.306314 -0.185485 -0.724512 12H 3s 0.013814 -0.252692 -0.126709 0.272958 -0.238387 0.375680 12H 1pz -0.133470 -0.198546 -0.011547 0.073291 -0.141545 -0.028537 12H 1px -0.068101 -0.005496 0.009797 0.024413 0.035548 -0.045603 12H 1py -0.043180 -0.095056 -0.005376 -0.012099 -0.060886 -0.025226 13H 1s 0.042660 -0.021006 0.058530 0.028887 0.032900 -0.074606 13H 2s -0.142244 0.076366 -0.081439 -0.175247 0.087292 0.332986 13H 3s 0.084265 -0.035897 -0.000064 0.085257 -0.141467 -0.135245 13H 1pz -0.082348 0.035503 -0.003956 0.004758 -0.022795 0.078270 13H 1px -0.061507 0.010243 0.052701 -0.012008 -0.044659 0.013138 13H 1py -0.021682 0.037466 -0.120667 0.068227 0.006754 0.081155 14H 1s -0.063075 -0.006744 -0.109244 -0.038256 0.016458 0.170942 14H 2s 0.453354 0.013600 0.235526 0.006357 -0.128432 -0.718569 14H 3s -0.269000 0.077797 -0.251966 -0.121913 -0.146670 0.259241 14H 1pz -0.000364 0.032729 -0.024172 0.001488 -0.088872 -0.057433 14H 1px 0.053076 -0.008489 0.030571 -0.045983 -0.004512 -0.053551 14H 1py -0.053023 0.001816 0.018274 0.121879 0.149518 0.141264 15H 1s 0.063097 -0.038177 0.082296 0.017366 0.025448 -0.097494 15H 2s -0.385035 0.216894 -0.401499 0.115107 -0.147858 0.353712 15H 3s 0.042559 0.009593 0.200721 -0.034730 -0.314180 -0.303300 15H 1pz -0.073661 0.062101 0.010248 0.030588 -0.109434 -0.025872 15H 1px -0.112403 0.029509 0.038943 0.027044 0.025460 0.117809 15H 1py 0.089791 -0.073636 0.029144 -0.031213 0.120091 0.031695 16H 1s 0.051111 -0.042436 -0.016330 0.009633 0.051041 0.018057 16H 2s -0.146142 0.299757 0.124703 -0.053736 -0.229727 -0.035857 16H 3s 0.163540 -0.089048 0.038143 0.018824 -0.013001 -0.031346 16H 1pz -0.063135 -0.028305 0.000575 0.015697 0.021349 0.011455 16H 1px 0.047917 -0.035787 0.098010 0.095500 0.010924 0.013768 16H 1py 0.027640 0.113595 0.014054 -0.005116 -0.122045 -0.048869 17H 1s 0.025074 -0.027453 -0.017280 0.007334 0.060554 0.016149 17H 2s -0.091377 -0.042761 0.098032 -0.022407 -0.254381 -0.013911 17H 3s 0.005745 -0.107202 0.090157 0.003097 0.176233 0.024124 17H 1pz -0.013065 -0.094163 -0.021768 0.102205 0.096829 0.043020 17H 1px -0.023674 -0.012672 0.094502 -0.038008 0.040490 0.010062 17H 1py -0.086755 -0.028306 0.076952 0.024632 0.053702 0.005709 18H 1s 0.023537 0.029444 -0.018734 0.006588 0.058761 -0.016560 18H 2s -0.081209 0.038312 0.097764 -0.012950 -0.255186 0.016352 18H 3s 0.002759 0.107691 0.085131 0.004779 0.174815 -0.027067 18H 1pz 0.011813 -0.091362 0.030413 -0.102615 -0.092601 0.040615 18H 1px 0.023387 -0.014279 -0.094584 0.036885 -0.039478 0.011471 18H 1py 0.086440 -0.030216 -0.071736 -0.027321 -0.059737 0.005537 19H 1s 0.051726 0.045122 -0.017119 0.006961 0.050269 -0.017918 19H 2s -0.145886 -0.310832 0.132639 -0.042355 -0.219838 0.033870 19H 3s 0.164579 0.095923 0.038022 0.017986 -0.006920 0.029906 19H 1pz 0.065335 -0.028647 0.002673 -0.017994 -0.020232 0.011691 19H 1px -0.047592 -0.038118 -0.094047 -0.097836 -0.015187 0.013629 19H 1py -0.026085 0.113081 -0.023779 0.004315 0.119105 -0.046689 20H 1s 0.063728 0.040238 0.082780 0.018969 0.026003 0.103425 20H 2s -0.387837 -0.224761 -0.401532 0.106784 -0.151374 -0.375995 20H 3s 0.052713 -0.006832 0.203862 -0.027870 -0.319138 0.321688 20H 1pz 0.071824 0.059655 -0.012667 -0.030969 0.109855 -0.026502 20H 1px 0.111568 0.025856 -0.039127 -0.026399 -0.025299 0.118488 20H 1py -0.087708 -0.071832 -0.026965 0.030232 -0.119945 0.031075 21H 1s -0.063529 0.004440 -0.109341 -0.038494 0.013070 -0.170284 21H 2s 0.454730 -0.012541 0.237564 0.007171 -0.120192 0.719586 21H 3s -0.265619 -0.086895 -0.251815 -0.120057 -0.162047 -0.254647 21H 1pz -0.000920 0.032917 0.023885 -0.000722 0.087542 -0.056567 21H 1px -0.053691 -0.009498 -0.031464 0.045643 0.002796 -0.054578 21H 1py 0.056069 0.001287 -0.017343 -0.120874 -0.148990 0.145076 22H 1s 0.041098 0.021252 0.056537 0.028316 0.036006 0.071504 22H 2s -0.138053 -0.069823 -0.074857 -0.173103 0.080260 -0.323762 22H 3s 0.084494 0.027108 -0.006807 0.087634 -0.147827 0.130892 22H 1pz 0.081875 0.033114 0.002543 -0.005320 0.025245 0.079491 22H 1px 0.059965 0.007389 -0.053656 0.011648 0.046575 0.012662 22H 1py 0.023692 0.041868 0.120330 -0.067255 -0.009790 0.084063 23H 1s 0.069299 -0.066592 -0.053735 0.110061 0.020396 -0.190582 23H 2s -0.292241 0.308322 0.211519 -0.302823 -0.187931 0.741261 23H 3s 0.015495 0.238992 -0.140267 0.267720 -0.236136 -0.386726 23H 1pz 0.133446 -0.196637 0.017351 -0.070268 0.140029 -0.029026 23H 1px 0.070155 -0.005980 -0.011663 -0.023013 -0.035154 -0.048424 23H 1py 0.043802 -0.095771 0.007883 0.011803 0.060819 -0.026016 24H 1s -0.043490 -0.045045 0.055712 -0.048390 -0.029057 0.132357 24H 2s 0.393149 0.213328 -0.282555 0.005240 0.022939 -0.552510 24H 3s -0.324422 0.320471 0.157768 -0.072577 -0.457899 0.236242 24H 1pz -0.011196 -0.166743 0.065632 0.055145 0.121901 0.063528 24H 1px -0.033071 0.038741 0.039127 -0.006110 -0.082174 0.100761 24H 1py -0.000172 -0.110443 0.069609 0.047294 0.064724 0.116147 25H 1s -0.015265 -0.015006 0.023521 -0.036845 0.030579 0.044063 25H 2s 0.023923 -0.032300 -0.170832 0.154157 0.157711 -0.159429 25H 3s -0.012204 0.178451 0.188701 -0.032395 -0.177411 0.134703 25H 1pz 0.141157 -0.087901 0.011061 -0.034183 -0.010372 -0.026932 25H 1px 0.082572 -0.063339 0.004128 0.004167 0.017502 -0.000638 25H 1py 0.012465 -0.074894 0.072460 0.001611 -0.004662 0.147488 26O 1s 0.007281 0.008334 0.004253 0.001588 0.004987 -0.001541 26O 2s 0.022401 0.024495 0.014802 0.006421 0.011016 -0.003080 26O 3s -0.108377 -0.099426 -0.099903 -0.058443 0.039411 -0.016658 26O 4s 0.091213 0.079752 0.194383 0.208443 -0.554136 0.180953 26O 5s 0.802581 0.766093 0.905182 0.263950 -0.495586 0.101306 26O 1pz 0.027668 -0.004304 -0.007864 -0.051579 0.038656 -0.014378 26O 1px 0.001316 0.027056 0.009755 -0.014269 -0.014152 0.007217 26O 1py -0.006696 0.028137 -0.022492 0.046352 0.025787 -0.012225 26O 2pz -0.072780 -0.008284 -0.022281 -0.006022 0.084265 0.005958 26O 2px -0.174152 -0.077539 -0.152790 -0.132159 0.310623 -0.087190 26O 2py -0.057229 -0.033364 -0.112475 -0.088162 0.168236 -0.000904 26O 3pz 0.574736 -0.035488 -0.011288 0.028790 -0.056171 -0.233113 26O 3px -0.134783 -0.353136 -0.726473 -0.396231 0.979986 -0.226461 26O 3py 0.149868 -0.169611 -0.091520 -0.015160 0.317283 0.044887 26O 1dz2 0.004293 0.004433 0.001349 -0.001379 -0.004707 -0.001221 26O 1dxz 0.001356 0.000703 -0.004917 -0.004575 0.008069 0.001202 26O 1dyz 0.002274 0.005498 0.001555 0.004192 -0.000113 -0.000821 26O 1dx2y2 0.001601 -0.001512 -0.001316 -0.003850 -0.001581 0.000259 26O 1dxy -0.000570 0.000657 -0.003497 -0.001543 0.003816 -0.000464 26O 2dz2 0.163749 0.042362 -0.099298 -0.116971 0.031566 0.047845 26O 2dxz -0.054418 0.150161 -0.138749 -0.056702 0.273597 0.163274 26O 2dyz 0.016505 0.078099 0.154719 0.154245 0.014964 0.067658 26O 2dx2y2 0.270766 -0.040798 0.028273 0.096802 -0.205939 0.113150 26O 2dxy 0.033320 0.006044 0.057402 -0.055319 -0.064605 -0.100180 26O 1f0 -0.000649 -0.000677 -0.003144 0.007584 0.002858 0.005376 26O 1f+1 -0.000898 -0.001157 0.004163 0.005092 -0.004952 0.002967 26O 1f-1 -0.002775 -0.000368 -0.000850 -0.002528 0.006244 0.002196 26O 1f+2 0.003291 0.000594 0.001928 0.006649 -0.005432 -0.001406 26O 1f-2 -0.002190 0.000134 -0.004119 -0.003084 0.003359 -0.001572 26O 1f+3 0.003135 -0.000435 0.001244 0.002550 -0.002979 0.001253 26O 1f-3 0.004268 -0.000500 0.006533 -0.000512 -0.009926 -0.000537 27O 1s 0.003019 0.000145 -0.002746 0.004853 0.006200 0.001610 27O 2s 0.008064 0.000577 -0.010259 0.016913 0.016627 0.004552 27O 3s -0.010109 -0.006628 0.091340 -0.118396 -0.024421 -0.018684 27O 4s -0.121707 0.001537 -0.331574 0.243046 -0.285751 0.041314 27O 5s -0.080121 0.023256 -0.797091 1.133345 0.259324 0.025043 27O 1pz 0.012283 -0.010394 -0.025775 -0.058992 0.036130 0.010544 27O 1px 0.000353 0.014257 -0.008908 0.001691 0.009873 0.017063 27O 1py 0.009467 0.008254 -0.018577 -0.028254 -0.018922 -0.034267 27O 2pz -0.053564 -0.000661 0.016245 0.024538 0.022386 0.026468 27O 2px 0.043092 -0.015710 0.306556 -0.240729 0.130153 -0.030042 27O 2py -0.025174 0.031618 -0.127052 0.091641 -0.039927 0.002102 27O 3pz 0.224175 0.139866 -0.396718 0.034860 -0.155958 0.209110 27O 3px 0.223597 -0.152397 0.479977 -0.719743 0.340330 0.060022 27O 3py -0.162125 -0.042293 0.517798 0.016936 -0.169369 0.185001 27O 1dz2 0.001186 -0.003678 -0.000629 -0.002149 -0.001730 0.000029 27O 1dxz 0.001720 -0.001722 0.001788 -0.003960 0.002348 0.001419 27O 1dyz -0.003314 0.000434 0.005756 -0.000124 0.001141 -0.000689 27O 1dx2y2 0.001964 -0.001182 0.001979 -0.005456 -0.001542 -0.002527 27O 1dxy 0.000447 0.001497 -0.001722 0.001938 -0.003650 -0.003911 27O 2dz2 0.157484 -0.086869 0.134654 -0.218814 -0.019135 0.051393 27O 2dxz 0.072239 -0.102624 0.316939 -0.024852 0.126963 -0.145985 27O 2dyz -0.163258 -0.062685 0.161526 -0.085075 0.048455 0.113239 27O 2dx2y2 0.168010 -0.029067 -0.120238 -0.014020 -0.125451 -0.095518 27O 2dxy 0.068294 0.070401 -0.116072 0.005508 -0.118381 -0.129319 27O 1f0 0.002421 0.002427 0.000675 0.002417 -0.001595 -0.002762 27O 1f+1 -0.003314 0.003658 -0.003310 0.011492 -0.001672 -0.002433 27O 1f-1 -0.000642 -0.001607 -0.004561 -0.007116 0.000107 0.001320 27O 1f+2 0.001230 0.001937 -0.009388 0.002454 -0.004026 0.000578 27O 1f-2 0.002717 0.000449 -0.008089 0.001014 -0.001834 0.001263 27O 1f+3 -0.002968 -0.000343 -0.001348 0.004770 -0.003862 0.001425 27O 1f-3 0.003323 0.001053 0.002292 -0.000728 0.001358 -0.001194 28O 1s 0.001746 0.003607 -0.000960 -0.002437 0.005753 0.000247 28O 2s 0.002350 0.007689 -0.005252 -0.009754 0.016290 0.001682 28O 3s 0.050211 0.053118 0.069431 0.094432 -0.051647 -0.027899 28O 4s -0.378717 -0.361176 -0.269115 -0.320374 0.001706 0.106095 28O 5s -0.456993 -1.999748 -0.462925 -0.936899 -0.261682 0.345143 28O 1pz 0.052197 0.009570 -0.003450 0.002003 0.011502 -0.018067 28O 1px 0.035942 -0.079113 0.008069 0.009646 0.002938 -0.007674 28O 1py 0.002690 -0.005835 0.043363 0.009132 0.011901 -0.025190 28O 2pz 0.153934 0.267898 0.119063 0.215624 -0.087448 -0.046516 28O 2px -0.174298 -0.337881 -0.156545 -0.204307 0.025904 0.047599 28O 2py 0.041076 0.037766 0.032277 0.007774 -0.048406 -0.020203 28O 3pz 0.649726 1.012424 0.483990 0.176097 0.944752 -0.149900 28O 3px -0.594112 -0.623619 -0.397243 -0.639895 0.000454 0.248299 28O 3py 0.018607 0.289789 0.049443 0.090966 0.607774 -0.326421 28O 1dz2 0.006739 0.004040 0.001522 -0.002893 0.003304 -0.001752 28O 1dxz -0.003603 -0.006522 -0.002386 -0.004053 0.000201 0.001352 28O 1dyz -0.002008 0.001389 -0.000615 0.000537 0.005553 -0.000947 28O 1dx2y2 0.000025 0.001661 -0.001034 -0.000068 0.000053 0.003239 28O 1dxy -0.004675 -0.003617 -0.002487 -0.004431 -0.000171 -0.000098 28O 2dz2 0.099130 0.063103 0.090429 -0.236977 -0.156995 -0.172437 28O 2dxz 0.110701 0.256430 0.088792 -0.042796 -0.011986 -0.024184 28O 2dyz -0.027265 0.009592 -0.149026 0.066903 0.045483 0.239790 28O 2dx2y2 -0.089121 -0.233415 -0.078167 -0.262634 0.139232 0.010488 28O 2dxy -0.200085 -0.022490 -0.022915 -0.150593 0.105777 -0.180594 28O 1f0 -0.006414 -0.011528 -0.001114 -0.002920 -0.004374 -0.002018 28O 1f+1 -0.005968 -0.010748 -0.001906 -0.005246 -0.006550 0.000772 28O 1f-1 0.005991 0.004040 0.007212 0.004297 -0.006785 -0.001132 28O 1f+2 0.001729 0.018018 0.006880 0.006251 0.006978 -0.002249 28O 1f-2 0.002044 0.000539 -0.001664 -0.001021 -0.000415 0.001388 28O 1f+3 0.003819 0.011089 0.003828 0.005765 -0.000038 -0.004278 28O 1f-3 0.002877 -0.002879 -0.003030 0.000723 -0.003129 0.005650 29O 1s 0.002790 -0.001455 -0.002028 0.000631 0.005200 0.000617 29O 2s 0.008688 -0.005246 -0.006111 0.002006 0.015477 0.002629 29O 3s -0.050262 0.047199 0.025453 -0.012360 -0.072703 -0.029641 29O 4s 0.008668 -0.113450 0.031886 0.012042 -0.074940 0.105485 29O 5s 0.436177 -0.119581 -0.299628 0.061022 0.906627 -0.119120 29O 1pz 0.012839 -0.005583 0.002434 -0.005910 -0.012277 -0.002715 29O 1px 0.002348 -0.014840 -0.016983 -0.000808 -0.014975 0.003081 29O 1py 0.011269 -0.033736 -0.006445 -0.001279 0.006272 0.015625 29O 2pz -0.054281 0.006456 -0.000770 0.000848 0.004709 0.002209 29O 2px 0.018253 -0.017708 0.012350 0.006957 0.058291 0.010928 29O 2py -0.045951 0.053184 -0.016977 -0.007802 -0.048594 -0.030837 29O 3pz 0.186328 0.299994 0.064689 0.025884 -0.001945 -0.039652 29O 3px -0.169603 0.100182 -0.116955 -0.002232 -0.304078 0.038898 29O 3py -0.024648 0.021348 0.158242 -0.054346 -0.155969 0.048680 29O 1dz2 0.000680 0.000770 -0.001790 0.002384 0.000975 -0.000216 29O 1dxz -0.001349 -0.000470 -0.002183 -0.001253 0.003155 -0.000595 29O 1dyz -0.001032 -0.000992 0.001594 -0.000254 0.002245 0.000699 29O 1dx2y2 -0.002946 0.000383 0.004133 0.000065 -0.002133 0.000229 29O 1dxy -0.000901 -0.001057 -0.001429 0.000501 0.000653 0.000621 29O 2dz2 0.006930 -0.061478 -0.020600 -0.012166 0.037060 0.017523 29O 2dxz 0.042858 -0.027656 -0.011498 0.017922 -0.010029 -0.019655 29O 2dyz 0.048421 -0.022882 -0.018773 0.015106 -0.084512 -0.017497 29O 2dx2y2 0.006803 0.057758 -0.051027 -0.012842 -0.018190 -0.010927 29O 2dxy 0.044203 -0.032669 -0.018251 0.012646 0.004171 -0.014116 29O 1f0 -0.005196 0.002758 0.000989 -0.001247 -0.007367 -0.001713 29O 1f+1 0.002995 -0.002260 -0.000616 0.002072 0.003045 0.001151 29O 1f-1 -0.005875 0.003982 0.001454 0.000281 -0.005364 -0.002253 29O 1f+2 0.003172 -0.002042 -0.001302 -0.000136 0.004777 0.000590 29O 1f-2 -0.000936 0.005169 0.001789 -0.002112 -0.004130 -0.002022 29O 1f+3 0.003977 -0.001330 -0.002144 0.000034 0.004596 0.000850 29O 1f-3 0.001282 -0.002304 0.000692 0.000173 0.002323 0.000724 30O 1s -0.000017 -0.001734 0.001823 -0.000885 0.004985 0.002592 30O 2s -0.002407 -0.003698 0.007084 -0.004856 0.010903 0.006312 30O 3s 0.059988 -0.018646 -0.065873 0.059449 0.036907 0.003503 30O 4s -0.268196 0.177029 0.314414 -0.203457 -0.407008 -0.165820 30O 5s -0.578384 0.307291 -0.033343 -0.416204 -0.591066 -0.285843 30O 1pz 0.047707 -0.011525 0.010912 0.005467 0.003343 -0.001662 30O 1px 0.027928 0.052024 -0.031465 0.024969 0.013762 -0.023680 30O 1py 0.015173 0.000088 0.033363 -0.030780 -0.021840 -0.023615 30O 2pz 0.092574 -0.043992 -0.098636 0.101766 0.071812 0.028617 30O 2px -0.113405 0.094950 0.106597 -0.097733 -0.191515 -0.093824 30O 2py -0.117636 0.052976 0.140309 -0.051508 -0.086289 -0.015141 30O 3pz 0.473835 -0.178617 -0.131967 0.178089 0.995933 0.038619 30O 3px -0.470602 -0.102370 0.546518 -0.409129 -0.278322 -0.052823 30O 3py -0.344782 0.315806 -0.066941 -0.557605 -1.088073 -0.444527 30O 1dz2 0.004981 -0.001122 -0.003907 -0.002088 0.001035 -0.001683 30O 1dxz -0.000112 -0.001696 0.003267 -0.002089 -0.000164 -0.002342 30O 1dyz -0.004034 0.002666 -0.001685 0.000156 -0.005519 -0.000015 30O 1dx2y2 -0.001260 -0.003281 0.003165 -0.005147 -0.001701 -0.000761 30O 1dxy 0.002792 -0.000930 -0.005117 0.004030 0.002580 -0.000887 30O 2dz2 0.050299 0.037014 -0.343513 -0.122792 0.009834 0.228709 30O 2dxz 0.163455 -0.126942 -0.044502 -0.052182 0.121926 -0.063511 30O 2dyz 0.041916 0.006403 0.051722 0.220943 0.067754 -0.025846 30O 2dx2y2 -0.084705 -0.050896 0.188759 -0.196403 0.086909 0.099627 30O 2dxy 0.103283 0.093220 -0.020727 -0.025038 -0.011062 -0.163188 30O 1f0 -0.008013 0.004021 0.005685 -0.006009 -0.009258 0.001757 30O 1f+1 -0.004640 0.002929 -0.005258 -0.000494 -0.001785 0.003131 30O 1f-1 0.002852 -0.001661 0.003430 -0.002166 -0.000742 -0.002961 30O 1f+2 0.001618 -0.003708 0.005316 -0.002849 0.005112 -0.001075 30O 1f-2 0.006780 -0.005358 0.004337 0.004367 0.012249 0.003350 30O 1f+3 0.002990 -0.000279 -0.004672 0.001462 -0.006178 -0.002917 30O 1f-3 0.000649 -0.001156 -0.001080 0.004463 0.010248 0.007169 31O 1s -0.000091 0.001805 0.001772 -0.000935 0.005028 -0.002712 31O 2s -0.002581 0.003914 0.006931 -0.005053 0.011510 -0.006808 31O 3s 0.059630 0.017502 -0.065118 0.061387 0.024143 0.001827 31O 4s -0.263534 -0.172794 0.312868 -0.210721 -0.346387 0.145384 31O 5s -0.568039 -0.332030 -0.042383 -0.426197 -0.444610 0.243491 31O 1pz -0.047109 -0.011305 -0.010102 -0.006135 -0.001512 -0.001379 31O 1px -0.028867 0.052834 0.031087 -0.024568 -0.015919 -0.022656 31O 1py -0.015686 -0.000338 -0.033793 0.030786 0.021347 -0.023931 31O 2pz -0.091105 -0.043413 0.095906 -0.104632 -0.047175 0.018770 31O 2px 0.111277 0.094252 -0.103948 0.101823 0.154241 -0.080861 31O 2py 0.115798 0.050525 -0.137710 0.054983 0.059427 -0.004129 31O 3pz -0.465917 -0.182499 0.139514 -0.174100 -0.981951 0.034116 31O 3px 0.469779 -0.105248 -0.534662 0.414083 0.202544 -0.026459 31O 3py 0.335315 0.327417 0.044685 0.550528 1.090992 -0.455213 31O 1dz2 0.005000 0.000983 -0.003982 -0.002110 0.001077 0.001678 31O 1dxz -0.000102 0.001649 0.003134 -0.002086 0.000197 0.002241 31O 1dyz -0.003961 -0.002754 -0.001624 0.000161 -0.005352 0.000110 31O 1dx2y2 -0.001191 0.003285 0.003143 -0.005082 -0.001988 0.000960 31O 1dxy 0.002781 0.000887 -0.005078 0.004017 0.002277 0.001074 31O 2dz2 0.049251 -0.047043 -0.342501 -0.123061 0.003397 -0.226330 31O 2dxz 0.160383 0.122013 -0.045617 -0.051388 0.109183 0.070251 31O 2dyz 0.041078 -0.005099 0.051083 0.222942 0.055697 0.030846 31O 2dx2y2 -0.083689 0.056996 0.184088 -0.197241 0.088287 -0.106416 31O 2dxy 0.105301 -0.095571 -0.018629 -0.025235 -0.000122 0.163265 31O 1f0 0.007887 0.003892 -0.005680 0.006086 0.008414 0.002214 31O 1f+1 0.004633 0.003005 0.005097 0.000499 0.001925 0.003086 31O 1f-1 -0.002848 -0.001713 -0.003339 0.002189 0.000578 -0.002771 31O 1f+2 -0.001595 -0.003905 -0.005309 0.002802 -0.004853 -0.001136 31O 1f-2 -0.006661 -0.005557 -0.004347 -0.004532 -0.010957 0.002928 31O 1f+3 -0.003035 -0.000138 0.004652 -0.001425 0.006013 -0.002918 31O 1f-3 -0.000483 -0.001271 0.001047 -0.004489 -0.009672 0.007006 32O 1s 0.002706 0.001616 -0.002071 0.000560 0.005167 -0.000636 32O 2s 0.008459 0.005751 -0.006273 0.001775 0.015328 -0.002677 32O 3s -0.049671 -0.050104 0.027037 -0.010857 -0.070961 0.029694 32O 4s 0.011635 0.115371 0.027460 0.009288 -0.081790 -0.103878 32O 5s 0.423815 0.136332 -0.300249 0.057617 0.916039 0.112716 32O 1pz -0.013342 -0.005404 -0.003619 0.006506 0.013191 -0.002745 32O 1px -0.002545 -0.014055 0.017024 0.001544 0.016011 0.002915 32O 1py -0.011109 -0.034801 0.007743 0.002566 -0.005136 0.015957 32O 2pz 0.055649 0.007450 0.001187 -0.003507 -0.003015 0.003055 32O 2px -0.017444 -0.019132 -0.011647 -0.007872 -0.057548 0.011598 32O 2py 0.046457 0.056268 0.015160 0.006342 0.046287 -0.031246 32O 3pz -0.183640 0.299179 -0.077887 -0.026417 -0.014162 -0.035469 32O 3px 0.169381 0.107114 0.114097 0.010911 0.308840 0.034284 32O 3py 0.020047 0.027928 -0.158273 0.050675 0.163585 0.048553 32O 1dz2 0.000695 -0.000879 -0.001812 0.002305 0.000873 0.000281 32O 1dxz -0.001317 0.000479 -0.002204 -0.001372 0.003170 0.000616 32O 1dyz -0.001081 0.001009 0.001469 -0.000173 0.002272 -0.000648 32O 1dx2y2 -0.002877 -0.000446 0.004136 0.000063 -0.002110 -0.000180 32O 1dxy -0.000935 0.000894 -0.001504 0.000496 0.000710 -0.000606 32O 2dz2 0.003836 0.061673 -0.019015 -0.015715 0.033970 -0.018173 32O 2dxz 0.040503 0.028287 -0.014948 0.015581 -0.003874 0.019801 32O 2dyz 0.050079 0.027252 -0.020288 0.012278 -0.084984 0.018292 32O 2dx2y2 0.004007 -0.060816 -0.049874 -0.014499 -0.017080 0.011432 32O 2dxy 0.048821 0.030043 -0.019193 0.018797 0.008621 0.013995 32O 1f0 0.004862 0.002696 -0.001000 0.001106 0.007076 -0.001592 32O 1f+1 -0.003160 -0.002597 0.000731 -0.002151 -0.003199 0.001277 32O 1f-1 0.006121 0.004346 -0.001597 -0.000473 0.005643 -0.002298 32O 1f+2 -0.003447 -0.002520 0.001444 0.000182 -0.005071 0.000738 32O 1f-2 0.000722 0.005044 -0.001959 0.002210 0.003577 -0.002013 32O 1f+3 -0.003880 -0.001309 0.002157 0.000031 -0.004276 0.000845 32O 1f-3 -0.001131 -0.002387 -0.000618 -0.000174 -0.002008 0.000728 33O 1s 0.001699 -0.003523 -0.000839 -0.002377 0.005753 -0.000177 33O 2s 0.002167 -0.007511 -0.004862 -0.009502 0.015944 -0.001366 33O 3s 0.051833 -0.052094 0.067859 0.091721 -0.042624 0.024171 33O 4s -0.383841 0.348230 -0.265128 -0.309344 -0.043139 -0.093469 33O 5s -0.470605 2.022407 -0.494505 -0.909471 -0.369440 -0.312103 33O 1pz -0.051890 0.009055 0.003740 -0.003576 -0.012209 -0.018554 33O 1px -0.035848 -0.080204 -0.005864 -0.009851 0.000338 -0.008131 33O 1py -0.003043 -0.009309 -0.042906 -0.009654 -0.011389 -0.024380 33O 2pz -0.156516 0.263558 -0.119253 -0.208416 0.061424 -0.038133 33O 2px 0.176620 -0.334639 0.158163 0.196572 0.004407 0.039114 33O 2py -0.041791 0.036959 -0.032359 -0.006939 0.044524 -0.018404 33O 3pz -0.656521 1.000788 -0.511665 -0.179448 -0.938553 -0.134530 33O 3px 0.601833 -0.612781 0.398418 0.625303 0.052693 0.230667 33O 3py -0.020015 0.285533 -0.064819 -0.100619 -0.580720 -0.338365 33O 1dz2 0.006763 -0.003995 0.001591 -0.002779 0.003248 0.001706 33O 1dxz -0.003615 0.006432 -0.002511 -0.003916 -0.000279 -0.001325 33O 1dyz -0.002021 -0.001364 -0.000568 0.000616 0.005637 0.000962 33O 1dx2y2 0.000060 -0.001833 -0.001064 -0.000170 0.000292 -0.003357 33O 1dxy -0.004713 0.003507 -0.002560 -0.004410 -0.000270 0.000181 33O 2dz2 0.098222 -0.055881 0.095788 -0.237845 -0.157045 0.175765 33O 2dxz 0.113018 -0.258195 0.092178 -0.044040 0.003076 0.018814 33O 2dyz -0.028958 -0.012270 -0.147447 0.066403 0.046171 -0.239250 33O 2dx2y2 -0.088954 0.225008 -0.081896 -0.261212 0.127871 -0.006845 33O 2dxy -0.200510 0.023101 -0.021712 -0.149686 0.103075 0.187550 33O 1f0 0.006461 -0.011648 0.001362 0.002869 0.004614 -0.002224 33O 1f+1 0.006025 -0.010747 0.002014 0.005160 0.006900 0.000484 33O 1f-1 -0.006019 0.003788 -0.007232 -0.004221 0.006530 -0.000951 33O 1f+2 -0.001822 0.017937 -0.007195 -0.006040 -0.007963 -0.001804 33O 1f-2 -0.002035 0.000465 0.001603 0.000950 0.000674 0.001317 33O 1f+3 -0.003868 0.010982 -0.004064 -0.005608 -0.000538 -0.004163 33O 1f-3 -0.002879 -0.002779 0.003190 -0.000646 0.003045 0.005742 34O 1s 0.002917 -0.000252 -0.002756 0.004811 0.006366 -0.001709 34O 2s 0.007821 -0.000916 -0.010175 0.016811 0.016671 -0.004732 34O 3s -0.010448 0.008479 0.088627 -0.118394 -0.014658 0.016945 34O 4s -0.115500 -0.005105 -0.318021 0.245917 -0.340609 -0.022822 34O 5s -0.064929 -0.057002 -0.774539 1.128929 0.098678 -0.006364 34O 1pz -0.012574 -0.009753 0.026667 0.058937 -0.034496 0.010774 34O 1px 0.000169 0.015094 0.009632 -0.000937 -0.014382 0.016848 34O 1py -0.009695 0.009499 0.017831 0.028068 0.017327 -0.035533 34O 2pz 0.053548 -0.002733 -0.016906 -0.024865 -0.019253 0.026625 34O 2px -0.038191 -0.020693 -0.296533 0.242555 -0.182021 -0.017809 34O 2py 0.024454 0.035082 0.124402 -0.091859 0.051376 -0.000837 34O 3pz -0.222904 0.159337 0.386371 -0.038567 0.192109 0.206426 34O 3px -0.211223 -0.174274 -0.465336 0.714987 -0.401129 0.085989 34O 3py 0.157368 -0.058548 -0.510811 -0.008751 0.136221 0.184844 34O 1dz2 0.001240 0.003626 -0.000735 -0.002115 -0.002072 0.000036 34O 1dxz 0.001697 0.001843 0.001735 -0.003944 0.002243 -0.001492 34O 1dyz -0.003300 -0.000219 0.005814 -0.000090 0.001143 0.000469 34O 1dx2y2 0.001972 0.001232 0.001857 -0.005491 -0.000950 0.002321 34O 1dxy 0.000517 -0.001724 -0.001650 0.001957 -0.003842 0.004045 34O 2dz2 0.155232 0.086992 0.128505 -0.219773 -0.006197 -0.054685 34O 2dxz 0.071205 0.112215 0.315000 -0.025697 0.135407 0.142757 34O 2dyz -0.164920 0.070360 0.157890 -0.083745 0.048708 -0.113972 34O 2dx2y2 0.170959 0.025632 -0.117984 -0.012811 -0.145861 0.098820 34O 2dxy 0.068088 -0.077413 -0.115437 0.006883 -0.114687 0.130473 34O 1f0 -0.002423 0.002425 -0.000720 -0.002364 0.001250 -0.002875 34O 1f+1 0.003187 0.003637 0.002998 -0.011495 0.002843 -0.002587 34O 1f-1 0.000624 -0.001433 0.004715 0.007123 -0.000396 0.001284 34O 1f+2 -0.001282 0.002207 0.009359 -0.002460 0.004396 0.000308 34O 1f-2 -0.002730 0.000698 0.008059 -0.001040 0.002169 0.001084 34O 1f+3 0.002779 -0.000357 0.001228 -0.004786 0.004987 0.001356 34O 1f-3 -0.003164 0.001219 -0.002208 0.000703 -0.002030 -0.001152 35O 1s 0.007239 -0.008095 0.004551 0.001702 0.005033 0.001537 35O 2s 0.022259 -0.023848 0.015608 0.006645 0.011565 0.003071 35O 3s -0.107432 0.098160 -0.101521 -0.057060 0.028052 0.016393 35O 4s 0.087891 -0.088643 0.188293 0.196123 -0.502769 -0.180215 35O 5s 0.805567 -0.734005 0.895928 0.232263 -0.362500 -0.101717 35O 1pz -0.027621 -0.005124 0.008799 0.050898 -0.038638 -0.014902 35O 1px -0.001080 0.028207 -0.011300 0.013540 0.018924 0.007125 35O 1py 0.006901 0.026905 0.021160 -0.047247 -0.023873 -0.013387 35O 2pz 0.072819 -0.006272 0.020563 0.005817 -0.078396 0.005267 35O 2px 0.173383 -0.078788 0.145554 0.122236 -0.267544 -0.086302 35O 2py 0.056454 -0.030076 0.109503 0.084503 -0.149251 -0.000843 35O 3pz -0.575530 -0.069838 0.025345 -0.022980 0.010682 -0.236194 35O 3px 0.135806 -0.354069 0.724910 0.378245 -0.932595 -0.230575 35O 3py -0.149521 -0.194171 0.103949 0.013299 -0.321327 0.051384 35O 1dz2 0.004328 -0.004446 0.001390 -0.001410 -0.004508 0.001213 35O 1dxz 0.001317 -0.000807 -0.004864 -0.004507 0.007995 -0.001082 35O 1dyz 0.002228 -0.005372 0.001751 0.004217 -0.000151 0.000762 35O 1dx2y2 0.001628 0.001485 -0.001314 -0.003777 -0.001895 -0.000298 35O 1dxy -0.000578 -0.000664 -0.003371 -0.001457 0.003512 0.000563 35O 2dz2 0.165247 -0.048433 -0.095504 -0.116222 0.023278 -0.045375 35O 2dxz -0.054935 -0.161161 -0.132662 -0.056375 0.271127 -0.165376 35O 2dyz 0.014823 -0.072347 0.156624 0.151796 0.016876 -0.070177 35O 2dx2y2 0.272928 0.042626 0.021272 0.091954 -0.189997 -0.116265 35O 2dxy 0.034148 -0.006891 0.056469 -0.058154 -0.049219 0.103241 35O 1f0 0.000672 -0.000371 0.003143 -0.007486 -0.003096 0.005331 35O 1f+1 0.000919 -0.000977 -0.003987 -0.004899 0.004245 0.002903 35O 1f-1 0.002813 -0.000187 0.000916 0.002586 -0.006601 0.002009 35O 1f+2 -0.003296 0.000313 -0.001906 -0.006663 0.005339 -0.001323 35O 1f-2 0.002179 0.000155 0.004027 0.002955 -0.002940 -0.001598 35O 1f+3 -0.003167 -0.000394 -0.001067 -0.002476 0.002384 0.001184 35O 1f-3 -0.004296 -0.000316 -0.006211 0.000778 0.008699 -0.000678 360 361 362 363 364 365 1.86446 1.86928 1.87931 1.88896 1.89491 1.89529 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s -0.000150 0.000749 0.000779 0.000718 0.000289 0.000767 0Rh 2s 0.000611 -0.001948 -0.001565 -0.003439 -0.001308 -0.002683 0Rh 3s -0.000507 0.003213 0.003625 0.002116 0.000901 0.002865 0Rh 4s -0.002953 0.009275 0.007401 0.016955 0.006422 0.013017 0Rh 5s 0.002619 -0.000385 0.004163 -0.022061 -0.007748 -0.009634 0Rh 6s 0.009573 -0.061627 -0.064090 -0.019350 -0.009308 -0.047291 0Rh 7s -0.088411 0.173231 -0.139075 0.101496 0.159880 0.223444 0Rh 8s -0.055414 -0.037992 -0.137014 -0.037150 -0.169652 -0.022402 0Rh 1pz -0.005322 -0.001933 -0.005141 -0.010677 -0.001636 0.019635 0Rh 1px -0.002553 -0.003878 -0.009967 0.007175 -0.004207 0.002718 0Rh 1py 0.008480 0.012373 0.007448 0.008010 0.011815 0.010597 0Rh 2pz 0.017870 0.006604 0.017599 0.036120 0.005807 -0.066814 0Rh 2px 0.008536 0.013182 0.033588 -0.025277 0.014379 -0.009091 0Rh 2py -0.029002 -0.041815 -0.025255 -0.027198 -0.039638 -0.036114 0Rh 3pz 0.002418 -0.001401 -0.003439 -0.001044 -0.004531 0.004629 0Rh 3px 0.002090 -0.000256 0.005290 0.019510 -0.002738 -0.002880 0Rh 3py 0.006371 -0.004085 0.000464 0.002107 -0.005848 0.004833 0Rh 4pz -0.115204 -0.033646 -0.097237 -0.206589 -0.024148 0.404891 0Rh 4px -0.059507 -0.085958 -0.241009 0.085683 -0.078094 0.069633 0Rh 4py 0.151667 0.288182 0.154607 0.155153 0.253495 0.201621 0Rh 5pz 0.172267 0.042461 0.151578 0.296028 0.054755 -0.690856 0Rh 5px 0.093975 0.170665 0.470816 -0.149183 0.130467 -0.116228 0Rh 5py -0.236372 -0.518602 -0.248786 -0.232716 -0.366118 -0.314084 0Rh 6pz -0.279346 0.100317 0.191798 -0.840012 0.154686 1.266854 0Rh 6px -0.192278 -0.355017 -1.284749 0.009912 -0.515515 0.124104 0Rh 6py 0.474209 0.339093 0.666055 0.489925 0.913968 0.669749 0Rh 1dz2 -0.004016 -0.005224 0.007450 -0.009969 0.000973 -0.000426 0Rh 1dxz 0.003959 -0.001056 0.007279 -0.004314 -0.000387 -0.008702 0Rh 1dyz -0.008544 -0.000947 0.000453 0.005153 0.004381 0.003135 0Rh 1dx2y2 0.004108 -0.005524 0.005373 0.006859 0.003925 -0.006719 0Rh 1dxy -0.003330 -0.009086 -0.001533 0.001201 -0.005917 -0.002442 0Rh 2dz2 0.002183 0.002482 -0.003621 0.002429 -0.000805 -0.000675 0Rh 2dxz -0.000315 -0.000305 -0.001392 0.001552 0.000057 0.001466 0Rh 2dyz 0.005764 0.004660 -0.002847 -0.001255 -0.001924 -0.002013 0Rh 2dx2y2 -0.000086 0.003176 -0.000416 -0.002634 -0.000346 0.001836 0Rh 2dxy 0.001424 0.001986 0.000071 -0.001130 0.000256 0.000473 0Rh 3dz2 0.000053 0.002007 -0.002657 0.014210 0.001213 0.004057 0Rh 3dxz -0.008572 0.003998 -0.011984 0.003911 0.000740 0.015591 0Rh 3dyz -0.004918 -0.018505 0.011642 -0.007311 -0.002398 0.001079 0Rh 3dx2y2 -0.009962 -0.000167 -0.011701 -0.005337 -0.008354 0.008817 0Rh 3dxy 0.001645 0.013592 0.003720 0.002205 0.013737 0.004192 0Rh 4dz2 0.043264 0.041304 -0.058505 0.039679 -0.013996 -0.010209 0Rh 4dxz -0.005200 -0.004816 -0.025234 0.024645 0.001056 0.019719 0Rh 4dyz 0.112105 0.078820 -0.048433 -0.023585 -0.031620 -0.033840 0Rh 4dx2y2 0.000553 0.049809 -0.005041 -0.044990 -0.005882 0.028195 0Rh 4dxy 0.032173 0.038813 -0.002634 -0.021497 0.006306 0.004521 0Rh 5dz2 -0.374156 -0.221410 0.296530 -0.140530 0.071147 0.052824 0Rh 5dxz 0.023513 0.039962 0.113522 -0.082450 -0.021135 -0.008554 0Rh 5dyz -0.937861 -0.509438 0.309636 0.182211 0.151884 0.212981 0Rh 5dx2y2 -0.071567 -0.245951 -0.023906 0.216002 0.035246 -0.092270 0Rh 5dxy -0.323978 -0.216602 0.071513 0.140262 -0.033188 0.025558 0Rh 1f0 0.058786 0.013473 -0.034500 0.084952 0.080953 0.039010 0Rh 1f+1 -0.063685 -0.037907 0.051957 -0.068411 0.028274 0.137026 0Rh 1f-1 0.019291 0.030593 -0.020217 -0.066434 0.146099 0.078000 0Rh 1f+2 0.111182 0.060281 0.013472 0.144614 -0.000927 -0.072610 0Rh 1f-2 -0.027564 -0.112369 0.148188 0.088429 0.181998 0.103567 0Rh 1f+3 -0.054537 0.021545 0.006001 -0.122538 -0.075828 -0.006155 0Rh 1f-3 0.041875 0.085484 0.024456 0.000717 0.072146 0.033892 1Rh 1s -0.000059 0.000792 0.000801 -0.000661 -0.000590 0.000647 1Rh 2s -0.000013 -0.002159 -0.001666 0.003230 0.002308 -0.002240 1Rh 3s -0.000353 0.003332 0.003691 -0.001907 -0.002057 0.002434 1Rh 4s 0.000107 0.010311 0.007896 -0.015943 -0.011261 0.010862 1Rh 5s -0.002077 -0.001727 0.003584 0.021301 0.010827 -0.007765 1Rh 6s 0.008273 -0.062924 -0.064997 0.015521 0.029111 -0.041008 1Rh 7s -0.036206 0.184316 -0.130785 -0.071240 -0.239176 0.158475 1Rh 8s 0.086126 -0.031434 -0.134444 0.037464 0.178092 0.038082 1Rh 1pz -0.006676 0.001866 0.005008 -0.011932 0.004920 -0.018785 1Rh 1px -0.002088 0.003507 0.009790 0.006533 -0.002954 -0.004558 1Rh 1py 0.009378 -0.011621 -0.006690 0.008111 0.014312 -0.006914 1Rh 2pz 0.022443 -0.006400 -0.017167 0.040401 -0.016521 0.063998 1Rh 2px 0.007033 -0.011913 -0.032992 -0.023116 0.010152 0.015440 1Rh 2py -0.032030 0.039253 0.022688 -0.027541 -0.048171 0.023766 1Rh 3pz 0.002829 0.001852 0.003780 -0.001569 -0.002606 -0.005602 1Rh 3px 0.000541 -0.000018 -0.005232 0.019851 -0.003184 0.000446 1Rh 3py 0.005895 0.004426 -0.000411 0.002048 -0.004183 -0.006869 1Rh 4pz -0.145822 0.030829 0.093595 -0.231563 0.109712 -0.385694 1Rh 4px -0.043956 0.079282 0.237256 0.070503 -0.049813 -0.099592 1Rh 4py 0.173179 -0.274012 -0.139235 0.157647 0.299223 -0.121826 1Rh 5pz 0.224782 -0.038472 -0.146636 0.338077 -0.173791 0.664665 1Rh 5px 0.067164 -0.160172 -0.465275 -0.122364 0.085640 0.166776 1Rh 5py -0.274749 0.496762 0.224937 -0.237303 -0.437113 0.198464 1Rh 6pz -0.317069 -0.101796 -0.212971 -0.902222 0.586811 -1.119136 1Rh 6px -0.133266 0.340304 1.274777 -0.041304 -0.463452 -0.308107 1Rh 6py 0.489193 -0.295544 -0.614552 0.495178 1.084509 -0.363873 1Rh 1dz2 0.003886 -0.005048 0.007630 0.009899 -0.000891 -0.001026 1Rh 1dxz -0.004463 -0.001398 0.007317 0.003685 0.002917 -0.008135 1Rh 1dyz 0.008651 -0.000341 0.000359 -0.004894 -0.006011 0.001550 1Rh 1dx2y2 -0.003044 -0.005620 0.005342 -0.007481 -0.001542 -0.006778 1Rh 1dxy 0.004381 -0.008689 -0.001319 -0.001388 0.006112 -0.000583 1Rh 2dz2 -0.002094 0.002347 -0.003674 -0.002397 0.001011 -0.000261 1Rh 2dxz 0.000391 -0.000250 -0.001400 -0.001455 -0.000473 0.001459 1Rh 2dyz -0.005992 0.004233 -0.002828 0.001222 0.002497 -0.001302 1Rh 2dx2y2 -0.000411 0.003121 -0.000404 0.002789 -0.000314 0.001562 1Rh 2dxy -0.001677 0.001846 0.000085 0.001219 -0.000447 0.000290 1Rh 3dz2 -0.000097 0.002187 -0.002872 -0.014177 -0.002328 0.003689 1Rh 3dxz 0.009487 0.004615 -0.012038 -0.002753 -0.005327 0.014180 1Rh 3dyz 0.005678 -0.018078 0.011804 0.006806 0.003921 0.001880 1Rh 3dx2y2 0.009476 0.000325 -0.011676 0.006222 0.005262 0.010201 1Rh 3dxy -0.003138 0.013245 0.003123 -0.002123 -0.013441 0.000334 1Rh 4dz2 -0.042294 0.038557 -0.059418 -0.039090 0.017030 -0.003076 1Rh 4dxz 0.006577 -0.003943 -0.025396 -0.023211 -0.006347 0.019560 1Rh 4dyz -0.116045 0.070586 -0.048430 0.023046 0.041750 -0.022248 1Rh 4dx2y2 -0.007945 0.048780 -0.004899 0.047315 -0.004261 0.023727 1Rh 4dxy -0.036530 0.035912 -0.002456 0.022817 -0.008020 0.000968 1Rh 5dz2 0.373203 -0.195907 0.302062 0.136721 -0.086555 0.017814 1Rh 5dxz -0.030103 0.036631 0.114109 0.080861 0.016928 -0.003848 1Rh 5dyz 0.963764 -0.441566 0.314973 -0.180317 -0.216279 0.159312 1Rh 5dx2y2 0.102693 -0.237222 -0.023903 -0.223456 0.000827 -0.076599 1Rh 5dxy 0.343890 -0.191412 0.071185 -0.145687 0.026574 0.042480 1Rh 1f0 0.059238 -0.008929 0.039549 0.083731 0.090292 -0.014192 1Rh 1f+1 -0.060953 0.033486 -0.053297 -0.073431 0.067227 -0.116256 1Rh 1f-1 0.017727 -0.025547 0.021669 -0.070019 0.172104 -0.025921 1Rh 1f+2 0.115328 -0.052712 -0.006956 0.149032 -0.021162 0.063094 1Rh 1f-2 -0.031265 0.111851 -0.142420 0.091202 0.195402 -0.047118 1Rh 1f+3 -0.051996 -0.025029 -0.010449 -0.124060 -0.070659 -0.009998 1Rh 1f-3 0.046999 -0.081028 -0.023395 -0.001656 0.086524 -0.007596 2C 1s 0.007317 -0.003186 0.000537 -0.000370 -0.003648 0.000272 2C 2s 0.026030 -0.012176 0.003092 0.002651 -0.019908 0.000946 2C 3s -0.410567 0.263507 -0.341639 -0.245835 0.593149 -0.058946 2C 4s 1.427218 -1.095506 2.048939 1.330700 -2.647335 0.354596 2C 5s -0.424432 -0.084778 -0.604549 -0.108503 0.078256 -0.152244 2C 1pz -0.072092 0.085716 0.112408 0.113500 -0.004435 -0.051835 2C 1px -0.003313 -0.049920 0.144804 0.129311 -0.069623 0.003356 2C 1py -0.038528 -0.070414 -0.091939 -0.048188 0.022919 0.018669 2C 2pz 0.732182 -0.690197 0.647465 0.363401 -1.157689 0.297690 2C 2px -0.219018 0.205096 -0.379439 -0.209927 -0.061785 0.110218 2C 2py 0.315413 -0.006638 1.001346 0.640553 -0.895505 0.047360 2C 3pz 0.127811 -0.121060 0.013062 0.083862 -0.171309 -0.052165 2C 3px -0.029806 -0.117140 0.100603 0.162234 -0.232158 -0.023534 2C 3py 0.045604 -0.025609 -0.107835 -0.059736 -0.089652 -0.039032 2C 1dz2 -0.018932 0.012550 -0.016502 -0.020632 0.031111 -0.018671 2C 1dxz 0.006006 -0.011613 0.041609 0.002288 -0.008600 0.012636 2C 1dyz -0.014729 0.026394 -0.059538 -0.041654 0.066101 -0.003724 2C 1dx2y2 -0.003168 0.018310 0.016225 0.004208 -0.011406 -0.017919 2C 1dxy 0.008497 -0.021777 -0.026095 -0.027170 0.022242 0.025651 2C 2dz2 0.338765 -0.221161 0.284007 0.168743 -0.436845 0.054605 2C 2dxz -0.112454 -0.000313 0.138768 0.128147 -0.215725 0.103310 2C 2dyz 0.318318 -0.188808 0.493877 0.352253 -0.706019 0.085524 2C 2dx2y2 -0.105972 0.101388 -0.231305 -0.140480 0.189849 -0.015720 2C 2dxy -0.085997 -0.030242 -0.008205 0.046124 -0.139574 0.063617 2C 1f0 0.002300 0.031277 0.046929 0.019545 -0.030013 -0.039639 2C 1f+1 -0.009924 -0.022283 -0.031955 -0.015690 -0.008510 0.024626 2C 1f-1 0.018809 -0.044675 0.070301 0.048562 -0.054522 0.019307 2C 1f+2 -0.019903 0.003403 -0.027321 -0.028761 0.040091 0.007320 2C 1f-2 -0.001162 -0.012549 0.099764 0.052968 -0.064758 0.011331 2C 1f+3 -0.029335 0.034289 0.019140 0.004394 0.008232 -0.009091 2C 1f-3 -0.006922 0.017485 -0.054141 -0.020016 0.016290 0.000193 3C 1s -0.006552 0.006571 -0.002266 0.002548 0.001075 0.001267 3C 2s -0.018877 0.024012 -0.008815 0.015581 0.009952 0.005670 3C 3s 0.231272 -0.574285 0.088886 -0.487471 -0.360004 -0.099902 3C 4s -0.774252 2.582711 -0.113589 2.154209 1.635052 0.359543 3C 5s 0.667657 -0.382819 -0.665865 -0.083493 -0.040925 0.213086 3C 1pz 0.029836 -0.148094 0.017182 -0.014008 0.007085 -0.091640 3C 1px -0.001278 -0.003830 0.050144 0.096934 0.092083 -0.160630 3C 1py -0.052365 -0.071809 -0.076177 -0.003709 -0.000438 -0.063079 3C 2pz -0.264173 1.166614 0.025024 0.619190 0.418641 0.346362 3C 2px 0.316625 0.221870 -0.227331 0.015422 -0.012708 0.706431 3C 2py 0.292505 -0.764795 0.133831 -0.997991 -0.840257 0.105709 3C 3pz -0.067277 -0.149058 0.036112 -0.031281 -0.004527 -0.032677 3C 3px 0.113320 0.101433 -0.120630 0.215110 0.064125 0.085346 3C 3py -0.009027 -0.210934 0.193165 -0.170678 -0.157658 -0.094622 3C 1dz2 0.007669 0.005691 0.007601 0.013726 0.009764 0.009096 3C 1dxz -0.017714 -0.009181 0.000472 -0.000381 0.020974 -0.053207 3C 1dyz -0.003453 0.069775 0.002588 0.057703 0.045410 0.005849 3C 1dx2y2 -0.006166 -0.001106 0.008943 0.020080 0.034187 -0.021015 3C 1dxy 0.013577 -0.009688 0.012234 0.025349 0.020204 -0.008988 3C 2dz2 -0.071548 0.021813 0.038993 -0.121379 -0.119722 0.020668 3C 2dxz 0.055193 0.150914 -0.007812 0.144772 0.131278 0.054879 3C 2dyz 0.171131 -0.501214 0.015680 -0.513157 -0.399425 -0.101741 3C 2dx2y2 0.203153 -0.437713 -0.036128 -0.397230 -0.308427 0.036982 3C 2dxy -0.167017 -0.249955 0.070043 -0.241588 -0.213595 -0.193523 3C 1f0 -0.010267 -0.062014 -0.000035 -0.007215 0.009079 -0.051075 3C 1f+1 0.015116 -0.019387 -0.011086 -0.009365 -0.011912 0.036486 3C 1f-1 0.004178 0.052512 -0.004012 0.005809 -0.012717 0.047379 3C 1f+2 0.033420 -0.078388 -0.025687 -0.069220 -0.052240 0.027630 3C 1f-2 -0.004523 -0.052141 0.000053 -0.038441 -0.026931 -0.025718 3C 1f+3 0.005917 -0.000617 -0.003985 0.032950 0.052647 -0.062927 3C 1f-3 -0.004451 0.008833 0.011812 0.001717 0.020497 -0.035919 4C 1s -0.000749 0.001377 0.001608 -0.007063 0.013208 0.000841 4C 2s -0.004443 0.004527 0.005394 -0.024154 0.045459 0.003049 4C 3s 0.231179 -0.072000 -0.374564 0.159447 -0.639874 -0.138005 4C 4s -1.111386 0.393968 1.735386 -0.133582 2.100090 0.549295 4C 5s -0.084948 0.048666 0.949475 -0.133669 0.848574 0.284645 4C 1pz -0.127930 0.124092 -0.391483 -0.227018 0.238865 0.022209 4C 1px 0.256020 -0.028682 -0.118446 -0.064615 0.071654 -0.292323 4C 1py 0.019412 0.104530 -0.192145 -0.104470 0.152941 -0.118648 4C 2pz 1.669403 -0.934161 2.451519 1.334214 -1.750972 -0.302509 4C 2px -3.256371 0.409626 0.646512 0.493435 -0.813010 2.699848 4C 2py -0.199846 -0.556686 1.393249 0.795897 -1.297693 0.927004 4C 3pz -0.013858 -0.297677 -0.263472 -0.307595 0.205759 -0.166830 4C 3px 0.461848 -0.303451 0.308335 -0.283197 -0.209771 0.528545 4C 3py 0.239161 -0.356239 -0.005591 -0.168635 0.146167 0.093807 4C 1dz2 0.002930 0.001035 -0.029186 -0.017222 0.037781 0.009292 4C 1dxz -0.001320 0.011165 -0.003764 -0.005383 0.023325 -0.000163 4C 1dyz -0.014399 0.014347 -0.017060 -0.034310 0.044142 -0.003475 4C 1dx2y2 0.004234 0.005694 0.012386 0.019455 -0.011304 -0.005788 4C 1dxy 0.002243 -0.015892 -0.019869 -0.021964 0.023002 0.014115 4C 2dz2 0.705414 -0.089788 -0.361131 -0.296808 0.351723 -0.537043 4C 2dxz -1.445604 0.316900 -0.692814 -0.089754 0.058695 0.716008 4C 2dyz -0.197642 0.039202 -0.320081 -0.239478 0.547708 0.003119 4C 2dx2y2 -0.089089 -0.129870 0.427876 0.108634 -0.006653 0.302490 4C 2dxy -1.171819 0.445109 0.186502 0.074469 0.020684 0.487213 4C 1f0 -0.015763 -0.020179 -0.028708 -0.019449 -0.012314 0.010502 4C 1f+1 0.012012 0.005417 -0.011341 -0.023403 -0.014649 -0.036842 4C 1f-1 0.043525 0.005289 -0.033314 -0.021927 -0.005362 -0.021921 4C 1f+2 0.024909 -0.002974 0.042174 0.004928 0.008619 -0.020556 4C 1f-2 -0.002555 -0.016151 -0.026082 -0.009448 -0.008079 0.021394 4C 1f+3 0.046571 -0.027373 -0.012818 -0.009691 0.014005 -0.016581 4C 1f-3 0.049412 0.001240 -0.050422 -0.001855 0.018003 -0.017925 5C 1s -0.001916 -0.002378 0.001127 -0.012791 -0.010171 -0.001012 5C 2s -0.005726 -0.008591 0.004356 -0.043761 -0.034857 -0.004191 5C 3s 0.067015 -0.025036 -0.239269 0.640351 0.487057 0.179506 5C 4s -0.057334 0.204598 1.308698 -2.091680 -1.522660 -0.823851 5C 5s -0.712668 0.387141 0.669543 -1.003780 -0.748016 -0.299896 5C 1pz 0.093028 -0.172329 -0.058616 -0.128246 -0.108007 0.089424 5C 1px -0.251364 -0.028953 0.144592 0.017163 -0.081175 -0.093962 5C 1py -0.077377 0.364529 0.072131 0.212736 0.134298 -0.003429 5C 2pz -1.231893 1.467253 0.560397 1.159013 0.699800 -0.525768 5C 2px 3.254054 -0.232210 -1.367797 -0.432071 0.794828 1.082969 5C 2py 0.911215 -2.478777 -0.520281 -1.619067 -1.059237 0.052180 5C 3pz 0.017732 0.126416 -0.331812 -0.174187 -0.245234 0.121855 5C 3px -0.512130 0.427518 -0.432429 -0.186000 0.322438 0.032170 5C 3py 0.160189 -0.256129 0.533896 0.300784 0.396138 -0.154998 5C 1dz2 0.004270 0.019302 -0.002495 0.006093 -0.007247 0.022495 5C 1dxz -0.014504 -0.012179 0.000379 -0.011887 -0.004844 -0.024293 5C 1dyz 0.007251 0.018093 0.011282 0.040457 0.038500 0.000754 5C 1dx2y2 0.016427 0.014639 0.005515 0.026863 0.023851 0.000031 5C 1dxy 0.010564 0.001930 0.009710 0.037679 0.039185 -0.015806 5C 2dz2 -0.457592 0.120265 0.052811 0.323036 0.235869 -0.220467 5C 2dxz 0.861333 -0.425851 -0.418591 -0.238583 -0.184495 0.569632 5C 2dyz 0.634809 -0.066610 -0.251488 0.243448 0.321449 0.330033 5C 2dx2y2 0.679469 0.238862 -0.064260 -0.157094 0.054726 0.404564 5C 2dxy -1.502363 0.930021 0.540732 0.602307 0.076301 -0.273716 5C 1f0 0.047125 -0.000459 0.000281 -0.012764 0.001906 0.029385 5C 1f+1 -0.030030 -0.031487 0.016688 0.007824 0.021897 -0.040123 5C 1f-1 0.011943 0.000476 -0.006761 0.005221 0.010404 -0.021654 5C 1f+2 -0.022900 0.016313 0.020961 0.001048 -0.011070 -0.021900 5C 1f-2 -0.041855 0.024144 0.027664 0.006394 -0.025312 -0.006074 5C 1f+3 -0.033533 0.003789 -0.013878 0.020610 -0.011242 0.029574 5C 1f-3 -0.014373 0.024250 0.030711 -0.014495 0.004922 -0.011031 6C 1s 0.002911 -0.002156 0.001638 0.012769 0.009378 0.001550 6C 2s 0.009240 -0.007861 0.006128 0.043618 0.032435 0.004644 6C 3s -0.121182 -0.035823 -0.275417 -0.633155 -0.461985 0.046583 6C 4s 0.267594 0.232941 1.444550 2.050427 1.461770 -0.389183 6C 5s 0.709074 0.444703 0.749111 0.985446 0.719548 -0.079764 6C 1pz 0.081191 0.179325 0.057499 -0.134685 -0.080594 -0.114945 6C 1px -0.252170 0.009923 -0.147894 0.030056 -0.114145 0.057979 6C 1py -0.052288 -0.366104 -0.069603 0.210918 0.143737 0.030184 6C 2pz -1.110323 -1.546648 -0.553645 1.200275 0.519321 0.657835 6C 2px 3.220950 0.466976 1.416487 -0.552392 1.128719 -0.720656 6C 2py 0.711926 2.516227 0.499332 -1.614721 -1.053094 -0.274950 6C 3pz 0.065680 -0.115417 0.322637 -0.185133 -0.299625 -0.205562 6C 3px -0.430428 -0.455537 0.429279 -0.199308 0.250783 0.081490 6C 3py 0.068479 0.256366 -0.514715 0.314803 0.504258 0.281637 6C 1dz2 -0.006277 0.018488 -0.002258 -0.004492 0.000235 0.024287 6C 1dxz 0.014669 -0.010235 0.000795 0.010545 0.011790 -0.023387 6C 1dyz -0.008180 0.017198 0.009692 -0.041040 -0.036061 -0.008757 6C 1dx2y2 -0.015981 0.013482 0.004596 -0.027169 -0.022325 -0.006543 6C 1dxy -0.009701 0.001779 0.007979 -0.039302 -0.032040 -0.025869 6C 2dz2 0.430895 0.153696 0.042878 -0.341643 -0.139379 -0.265997 6C 2dxz -0.829141 -0.494597 -0.430310 0.279596 0.009022 0.580912 6C 2dyz -0.643693 -0.116824 -0.277850 -0.220602 -0.386999 0.218716 6C 2dx2y2 -0.685273 0.181905 -0.061973 0.190324 -0.190121 0.365161 6C 2dxy 1.419173 1.029526 0.553295 -0.631981 0.013303 -0.237000 6C 1f0 0.045409 0.004086 -0.000155 -0.014413 0.012329 -0.026470 6C 1f+1 -0.031235 0.028951 -0.016407 0.010891 0.006634 0.044811 6C 1f-1 0.012078 -0.000152 0.007153 0.006234 0.002830 0.024692 6C 1f+2 -0.024094 -0.018385 -0.022314 0.002443 -0.013414 0.016619 6C 1f-2 -0.042899 -0.027031 -0.029899 0.006460 -0.022295 -0.003139 6C 1f+3 -0.030913 -0.005501 0.014642 0.019249 -0.005639 -0.032469 6C 1f-3 -0.014090 -0.024951 -0.031980 -0.013466 0.003786 0.012338 7C 1s 0.001018 0.001254 0.001652 0.006777 -0.011899 -0.003587 7C 2s 0.005540 0.004298 0.005607 0.023154 -0.041070 -0.012183 7C 3s -0.253051 -0.082761 -0.372879 -0.140651 0.596600 0.057338 7C 4s 1.204511 0.463129 1.722554 0.057993 -1.963665 -0.048588 7C 5s 0.069099 0.032065 0.937308 0.117822 -0.863417 0.039886 7C 1pz -0.129373 -0.132641 0.381062 -0.233698 0.228867 0.070465 7C 1px 0.255744 0.046319 0.118954 -0.051164 -0.027580 0.298040 7C 1py 0.022324 -0.102509 0.192843 -0.101794 0.102972 0.170479 7C 2pz 1.673138 1.048302 -2.379042 1.372842 -1.659886 -0.358975 7C 2px -3.250168 -0.632285 -0.680870 0.358837 0.110746 -2.804628 7C 2py -0.207148 0.542660 -1.388391 0.763599 -0.868297 -1.342163 7C 3pz -0.041491 0.306573 0.268503 -0.320038 0.300161 0.260206 7C 3px 0.457688 0.340475 -0.314913 -0.308063 0.033300 -0.532254 7C 3py 0.217128 0.379637 0.019008 -0.185626 0.290057 -0.008254 7C 1dz2 -0.003767 0.000302 -0.029333 0.017830 -0.037192 -0.003653 7C 1dxz -0.000701 0.010532 -0.004017 0.005272 -0.020855 -0.008310 7C 1dyz 0.011816 0.014290 -0.016444 0.034044 -0.038168 -0.018942 7C 1dx2y2 -0.003605 0.005325 0.012093 -0.020483 0.012718 -0.001467 7C 1dxy -0.000361 -0.015193 -0.019531 0.022950 -0.025686 0.005356 7C 2dz2 -0.704244 -0.136705 -0.356892 0.267079 -0.132208 -0.626005 7C 2dxz 1.442685 0.420665 -0.667416 0.141670 -0.258464 0.638326 7C 2dyz 0.205291 0.056828 -0.314495 0.235841 -0.478266 -0.178246 7C 2dx2y2 0.103715 -0.125433 0.421003 -0.100901 -0.105424 0.307657 7C 2dxy 1.161137 0.516017 0.197457 -0.055557 -0.157928 0.459990 7C 1f0 -0.017597 0.018268 0.027393 -0.020924 -0.007089 -0.012163 7C 1f+1 0.013733 -0.004314 0.010077 -0.021737 -0.024760 0.033125 7C 1f-1 0.045181 -0.001694 0.032954 -0.022288 -0.009203 0.021854 7C 1f+2 0.023645 0.004451 -0.041465 0.007605 -0.000103 0.020016 7C 1f-2 -0.002722 0.015747 0.025533 -0.011805 0.001526 -0.021520 7C 1f+3 0.044563 0.029938 0.013723 -0.009086 0.007620 0.020560 7C 1f-3 0.048736 0.001531 0.050853 -0.002084 0.012154 0.023105 8C 1s 0.005054 0.006889 -0.002351 -0.002436 -0.000661 0.001038 8C 2s 0.013605 0.024780 -0.009471 -0.015152 -0.008370 0.003194 8C 3s -0.145171 -0.580716 0.105938 0.479425 0.344362 -0.008589 8C 4s 0.458864 2.600406 -0.179125 -2.123522 -1.607525 -0.053015 8C 5s -0.657966 -0.439935 -0.673764 0.099849 0.150937 0.233552 8C 1pz 0.013944 0.145840 -0.016932 -0.005509 -0.022023 0.098131 8C 1px -0.007822 -0.004478 -0.047991 0.107843 0.045078 0.176420 8C 1py -0.048147 0.064180 0.078841 0.000137 -0.032371 0.066032 8C 2pz -0.149481 -1.162758 -0.011600 0.588456 0.504360 -0.259708 8C 2px 0.357120 -0.166802 0.236791 -0.032124 0.181405 -0.676240 8C 2py 0.186011 0.785429 -0.173110 -1.004187 -0.721740 -0.327443 8C 3pz -0.070883 0.140474 -0.036957 -0.022490 -0.041487 0.031045 8C 3px 0.125958 -0.096091 0.132217 0.212633 0.070265 -0.070564 8C 3py -0.047935 0.199600 -0.199043 -0.160280 -0.128730 0.058488 8C 1dz2 -0.008021 0.004727 0.007107 -0.013599 -0.012380 0.006324 8C 1dxz 0.018332 -0.006529 0.000214 -0.002635 -0.004301 -0.058475 8C 1dyz -0.001425 0.069414 0.001103 -0.056888 -0.046201 -0.005324 8C 1dx2y2 0.006240 -0.000032 0.008019 -0.021947 -0.025070 -0.030166 8C 1dxy -0.012371 -0.010626 0.011137 -0.026665 -0.015439 -0.013692 8C 2dz2 0.073129 0.025297 0.046511 0.123139 0.100525 0.055636 8C 2dxz -0.071284 0.145499 -0.014019 -0.141135 -0.138366 0.020604 8C 2dyz -0.112215 -0.505776 0.033225 0.506150 0.398749 0.000325 8C 2dx2y2 -0.156515 -0.447136 -0.025813 0.398847 0.273450 0.111158 8C 2dxy 0.195736 -0.230727 0.081639 0.228570 0.254104 -0.130432 8C 1f0 -0.014239 0.059442 0.000681 -0.003377 -0.010013 0.053159 8C 1f+1 0.014574 0.021991 0.011508 -0.012006 -0.002003 -0.037989 8C 1f-1 0.008123 -0.050809 0.003392 0.002166 0.003906 -0.050448 8C 1f+2 0.027799 0.080172 0.024845 -0.070671 -0.044668 -0.039222 8C 1f-2 -0.008721 0.051684 -0.000940 -0.037152 -0.035668 0.018142 8C 1f+3 0.006622 -0.000242 0.005995 0.035999 0.030955 0.075970 8C 1f-3 -0.004810 -0.009978 -0.011882 0.003781 0.009695 0.040862 9C 1s -0.007903 -0.003872 0.000399 0.000653 0.002429 0.001164 9C 2s -0.027802 -0.014475 0.002590 -0.001618 0.014954 0.006425 9C 3s 0.431064 0.296299 -0.329478 0.232613 -0.483135 -0.245014 9C 4s -1.483073 -1.205547 1.993513 -1.292453 2.172685 1.214950 9C 5s 0.519522 -0.038902 -0.603373 0.114059 -0.160235 -0.201193 9C 1pz -0.070007 -0.090946 -0.107065 0.119438 -0.029999 0.042091 9C 1px -0.007507 0.045336 -0.145605 0.134886 -0.069705 -0.034974 9C 1py -0.050929 0.064563 0.083919 -0.047674 0.021835 -0.015350 9C 2pz 0.721013 0.737791 -0.639812 0.336499 -0.890110 -0.663991 9C 2px -0.204726 -0.207425 0.385300 -0.237780 0.002478 -0.101154 9C 2py 0.356174 0.039165 -0.963028 0.637227 -0.767039 -0.336094 9C 3pz 0.117900 0.126249 -0.003856 0.078140 -0.123812 0.007452 9C 3px -0.029660 0.116559 -0.095701 0.163508 -0.215295 -0.058876 9C 3py 0.040937 0.033920 0.101286 -0.060562 -0.071251 0.010360 9C 1dz2 0.018038 0.013574 -0.016231 0.019657 -0.020905 -0.028518 9C 1dxz -0.007190 -0.012365 0.041778 -0.002947 0.004409 0.014129 9C 1dyz 0.013335 0.026577 -0.058303 0.041984 -0.058154 -0.026680 9C 1dx2y2 0.001994 0.018003 0.016388 -0.005669 0.016119 -0.013919 9C 1dxy -0.006756 -0.021496 -0.025167 0.028790 -0.029377 0.016224 9C 2dz2 -0.335334 -0.241954 0.274783 -0.160511 0.354964 0.196103 9C 2dxz 0.111224 0.006857 0.134800 -0.119637 0.155187 0.169415 9C 2dyz -0.329137 -0.213499 0.482171 -0.345602 0.589751 0.315047 9C 2dx2y2 0.105631 0.109586 -0.227061 0.141299 -0.160887 -0.082461 9C 2dxy 0.089491 -0.021928 -0.007269 -0.038910 0.102481 0.106606 9C 1f0 0.006119 -0.030027 -0.045520 0.022231 -0.041065 0.028616 9C 1f+1 -0.011480 0.020192 0.031051 -0.018122 0.000570 -0.025055 9C 1f-1 0.017137 0.044630 -0.068194 0.047856 -0.043784 -0.039190 9C 1f+2 -0.021894 -0.005959 0.028476 -0.030461 0.040422 0.008077 9C 1f-2 0.000776 0.013038 -0.097791 0.053673 -0.055477 -0.033949 9C 1f+3 -0.026666 -0.034606 -0.020989 0.006729 0.002422 0.011866 9C 1f-3 -0.007071 -0.018574 0.054296 -0.021703 0.016036 0.007348 10H 1s -0.029820 0.066493 -0.031838 0.010704 -0.022688 -0.037275 10H 2s 0.028819 -0.204908 0.184942 0.043230 0.045034 0.120205 10H 3s 0.119566 0.168537 -0.182007 -0.129061 0.147683 -0.123605 10H 1pz 0.081318 0.004677 0.146829 0.154760 -0.139745 -0.059787 10H 1px 0.040680 0.002131 0.065864 0.077430 -0.098765 -0.005369 10H 1py 0.069178 -0.091254 -0.005359 0.030392 -0.093456 0.022901 11H 1s 0.014220 -0.011052 0.273975 0.127811 -0.136922 -0.026608 11H 2s -0.022305 -0.040036 -0.883773 -0.526198 0.356158 0.100227 11H 3s 0.162847 -0.136915 0.486207 0.273504 -0.349859 -0.006930 11H 1pz 0.042715 -0.054572 0.030886 0.003368 -0.152326 0.022542 11H 1px -0.021291 -0.030624 -0.040963 0.003143 -0.014152 0.019164 11H 1py 0.037112 -0.108947 0.077099 0.030659 -0.177967 0.039281 12H 1s 0.056679 -0.124603 0.018397 0.018815 -0.035656 0.084324 12H 2s -0.108717 0.451689 0.006996 -0.049005 0.096105 -0.173226 12H 3s 0.197364 -0.235181 0.022609 -0.041484 -0.128149 0.113651 12H 1pz 0.067709 -0.027384 0.177165 0.154749 -0.176290 0.037537 12H 1px 0.000517 0.025959 0.090202 0.084749 -0.043746 0.010979 12H 1py -0.001289 0.006412 0.007219 0.018808 -0.054024 0.017106 13H 1s 0.050810 -0.033307 0.001390 -0.002859 -0.028094 0.096173 13H 2s -0.093794 0.085768 0.052235 0.021164 0.090401 -0.320417 13H 3s -0.157740 -0.138538 0.115337 -0.146890 -0.140396 0.084035 13H 1pz -0.029666 0.001631 0.005002 0.080417 0.078406 -0.099853 13H 1px -0.030572 0.039489 0.002297 0.119085 0.094664 -0.043320 13H 1py 0.044850 -0.138949 -0.060699 -0.146945 -0.071460 -0.053829 14H 1s -0.062577 0.014303 0.047619 0.083023 0.130445 -0.195135 14H 2s 0.148247 0.061031 -0.140309 -0.306324 -0.382679 0.662559 14H 3s -0.199521 0.046627 0.049646 0.181400 0.189751 -0.239846 14H 1pz 0.026107 0.026510 -0.032526 0.016551 0.018907 0.047577 14H 1px 0.018269 0.027482 0.000917 0.004602 0.023975 0.036832 14H 1py 0.007377 -0.196995 -0.006878 -0.102508 -0.129059 -0.104622 15H 1s -0.024717 0.226240 0.021603 0.086229 0.023227 0.079776 15H 2s 0.087378 -0.757922 -0.148253 -0.211997 -0.049371 -0.227553 15H 3s -0.128162 0.592815 -0.073438 0.243028 0.123875 0.146852 15H 1pz -0.018625 0.130807 -0.028165 0.132337 0.087047 -0.007619 15H 1px 0.014327 -0.015092 0.008192 0.109381 0.086971 -0.122891 15H 1py -0.016945 -0.062674 0.046696 -0.124017 -0.094756 -0.018764 16H 1s 0.029226 -0.021848 -0.068139 0.026110 0.002281 -0.032661 16H 2s 0.071046 0.083918 0.121976 -0.012258 -0.030025 0.107304 16H 3s 0.129962 0.024119 0.005052 -0.123375 0.114898 -0.064529 16H 1pz -0.127187 -0.012281 0.078187 0.041067 -0.038535 -0.021540 16H 1px -0.053386 0.008452 0.096955 -0.050961 0.056015 -0.015364 16H 1py 0.075759 0.060243 0.034731 -0.107764 0.033171 0.088722 17H 1s -0.012488 -0.045456 -0.061541 0.056099 -0.006269 0.008926 17H 2s -0.123506 0.116231 0.199994 -0.227191 -0.030387 -0.105513 17H 3s -0.097032 -0.089254 0.029488 0.156751 0.033343 0.046180 17H 1pz -0.115567 -0.043000 0.001174 0.101945 -0.020123 -0.051474 17H 1px -0.045592 -0.013688 0.019395 0.027301 0.016375 0.000560 17H 1py -0.057625 0.032853 0.111641 -0.007284 0.012839 -0.032089 18H 1s 0.019489 -0.042765 -0.062396 -0.055136 0.006438 0.015536 18H 2s 0.095524 0.120626 0.211206 0.219949 0.053043 -0.113223 18H 3s 0.107696 -0.078940 0.028110 -0.156995 -0.045193 0.042419 18H 1pz -0.116717 0.032028 0.000214 0.107385 -0.038809 0.033865 18H 1px -0.044059 0.010374 -0.018663 0.027510 0.015409 0.006260 18H 1py -0.054295 -0.037348 -0.113604 -0.001049 0.005061 0.039040 19H 1s -0.023480 -0.023392 -0.068848 -0.026385 0.010514 -0.029965 19H 2s -0.092709 0.080517 0.122426 0.017958 -0.009819 0.106707 19H 3s -0.130958 0.011387 0.004370 0.118665 -0.090014 -0.107032 19H 1pz -0.130203 0.004264 -0.079664 0.046824 -0.044589 0.004989 19H 1px -0.046868 -0.013388 -0.099837 -0.045774 0.049617 0.040112 19H 1py 0.084337 -0.052763 -0.035092 -0.113177 0.063217 -0.063131 20H 1s 0.010224 0.224559 0.022440 -0.078815 -0.056336 0.077953 20H 2s -0.037458 -0.749390 -0.155544 0.191546 0.151202 -0.235664 20H 3s 0.068348 0.589764 -0.076683 -0.225100 -0.172871 0.122387 20H 1pz -0.003421 -0.130819 0.031719 0.132066 0.076100 0.031349 20H 1px 0.012509 0.011638 -0.004253 0.116479 0.043988 0.139887 20H 1py -0.027221 0.060434 -0.052432 -0.122090 -0.087713 -0.008815 21H 1s 0.063337 0.024709 0.045391 -0.096088 -0.067797 -0.226098 21H 2s -0.158891 0.024564 -0.132188 0.350649 0.170097 0.747261 21H 3s 0.188910 0.074795 0.041871 -0.201669 -0.111345 -0.289896 21H 1pz 0.032213 -0.021821 0.034306 0.013553 0.026409 -0.038388 21H 1px 0.020171 -0.025058 -0.000678 0.002524 0.035638 -0.030342 21H 1py -0.014292 0.191861 0.002824 -0.096343 -0.153625 0.068284 22H 1s -0.047125 -0.039973 0.001222 0.007515 -0.002396 0.099370 22H 2s 0.093719 0.106031 0.053235 -0.038035 0.007723 -0.324702 22H 3s 0.156869 -0.132689 0.123490 0.147695 0.111383 0.116784 22H 1pz -0.027619 -0.006355 -0.002205 0.087579 0.039415 0.118113 22H 1px -0.024544 -0.042877 0.001293 0.121841 0.075031 0.064698 22H 1py 0.031830 0.139538 0.057900 -0.144611 -0.084017 0.042883 23H 1s -0.048148 -0.124688 0.020244 -0.015485 0.004394 0.097213 23H 2s 0.074611 0.444471 -0.005804 0.041808 -0.032645 -0.218160 23H 3s -0.200902 -0.251680 0.030402 0.047765 0.079050 0.155928 23H 1pz 0.074186 0.033487 -0.169653 0.153233 -0.140385 -0.094224 23H 1px 0.002341 -0.026256 -0.089162 0.088322 -0.039660 -0.027600 23H 1py 0.001137 -0.005414 -0.006640 0.017826 -0.040284 -0.031817 24H 1s -0.019768 -0.012520 0.269272 -0.134300 0.136519 0.023060 24H 2s 0.044154 -0.036496 -0.861893 0.548873 -0.372460 -0.040457 24H 3s -0.185993 -0.151160 0.471434 -0.276491 0.320951 0.107784 24H 1pz 0.042242 0.056947 -0.030898 -0.001107 -0.122028 -0.066973 24H 1px -0.027086 0.025418 0.038154 0.001008 -0.007700 -0.025638 24H 1py 0.033260 0.109703 -0.078248 0.026549 -0.143955 -0.097072 25H 1s 0.026890 0.066070 -0.033564 -0.010767 0.033584 -0.027384 25H 2s -0.008026 -0.197232 0.192364 -0.045700 -0.079672 0.107140 25H 3s -0.140796 0.153595 -0.184258 0.131088 -0.100645 -0.175086 25H 1pz 0.083412 0.000995 -0.141941 0.157919 -0.142916 0.003742 25H 1px 0.043386 -0.000060 -0.064357 0.078121 -0.091322 -0.029905 25H 1py 0.063014 0.093296 0.004293 0.028076 -0.073566 -0.055136 26O 1s -0.001770 0.004206 -0.000711 -0.002607 0.002235 -0.001524 26O 2s 0.003406 0.011193 -0.005334 -0.008307 0.006484 -0.010667 26O 3s -0.199433 -0.015013 0.097220 0.058910 -0.036374 0.177375 26O 4s 1.037669 -0.297492 -0.323563 -0.132374 0.066117 -0.740197 26O 5s 2.597643 0.419532 -1.866426 -0.649517 0.543417 -2.183961 26O 1pz -0.016278 0.000776 -0.034895 -0.055084 0.068432 -0.000657 26O 1px -0.081317 -0.022753 0.015189 0.018863 -0.054027 0.021303 26O 1py -0.029707 0.025488 -0.007059 0.008196 0.057547 0.012881 26O 2pz -0.074919 0.015516 0.071235 0.104538 -0.070124 0.096034 26O 2px -0.851588 0.109145 0.338189 0.169812 -0.107228 0.632643 26O 2py -0.364797 0.042718 0.176667 0.088173 -0.102088 0.277140 26O 3pz 0.771694 0.249398 0.117383 -0.218347 0.116667 -0.163474 26O 3px -0.996350 0.248658 0.979523 0.293784 -0.148650 1.195991 26O 3py 0.001882 0.014301 0.118713 -0.093964 -0.032477 0.589249 26O 1dz2 0.003125 -0.002293 0.000702 -0.006314 0.002027 -0.007998 26O 1dxz -0.001168 0.001684 0.000263 0.000175 -0.000760 -0.000143 26O 1dyz -0.001591 -0.003895 -0.000689 -0.000895 0.005788 -0.000976 26O 1dx2y2 -0.006589 -0.000679 0.002495 -0.001200 -0.004107 0.003604 26O 1dxy -0.006197 0.001663 0.001437 0.001408 -0.001381 0.003418 26O 2dz2 -0.158228 0.018931 0.109371 0.051752 -0.137672 0.050076 26O 2dxz 0.016218 -0.033286 -0.014663 0.106541 -0.049380 -0.012907 26O 2dyz 0.062014 0.010070 -0.167511 0.059405 -0.097200 -0.089534 26O 2dx2y2 0.277955 -0.112153 -0.118211 -0.185303 0.173117 -0.151116 26O 2dxy 0.262955 0.059007 -0.047477 -0.042761 -0.001672 -0.298461 26O 1f0 0.005742 0.000833 -0.004334 0.004288 -0.001722 -0.001638 26O 1f+1 0.014315 -0.000696 -0.012910 -0.002265 0.005409 -0.010279 26O 1f-1 0.008007 0.005490 -0.009023 0.002081 -0.000582 -0.003010 26O 1f+2 0.000857 -0.002804 -0.000407 -0.002849 0.008538 0.001720 26O 1f-2 -0.008658 0.001881 0.003914 0.000452 -0.000123 0.008253 26O 1f+3 0.010034 0.000935 -0.007644 -0.005949 0.006849 -0.007018 26O 1f-3 0.024658 0.001217 -0.016825 -0.009767 0.004058 -0.025613 27O 1s 0.001747 -0.003304 0.004288 -0.003399 -0.000824 0.000908 27O 2s -0.001744 -0.008949 0.014471 -0.006251 -0.001594 0.000731 27O 3s 0.161723 0.021486 -0.095358 -0.046423 -0.003042 0.045318 27O 4s -0.874946 0.241520 0.214915 0.408763 0.091042 -0.363572 27O 5s -2.424729 -1.038142 0.585697 0.780214 -0.511350 -0.489931 27O 1pz -0.023402 -0.034486 0.012268 -0.048694 -0.041284 0.006175 27O 1px 0.074234 0.008092 -0.011329 -0.004388 0.027068 -0.004594 27O 1py 0.027805 0.043984 0.000890 0.043702 0.071128 0.035985 27O 2pz -0.045778 0.015668 0.006110 0.082324 0.024625 -0.018400 27O 2px 0.826766 -0.021633 -0.225081 -0.258121 0.029463 0.264972 27O 2py -0.183410 -0.001407 0.032915 0.001802 -0.054111 -0.053222 27O 3pz -0.632619 -0.232567 0.207043 -0.042324 0.017863 -0.401717 27O 3px 0.845713 -0.015697 -0.124371 -0.479756 0.129880 0.285966 27O 3py 0.660726 0.027822 -0.142965 0.170472 0.021748 -0.237228 27O 1dz2 -0.005466 -0.002030 0.003234 -0.001069 0.001653 -0.002225 27O 1dxz -0.001407 -0.002692 0.002597 -0.000325 0.000107 -0.000702 27O 1dyz 0.000200 -0.002981 -0.001048 0.005361 0.000998 0.004461 27O 1dx2y2 0.009901 -0.002993 -0.002637 -0.001338 0.005032 0.004291 27O 1dxy -0.003355 0.002770 -0.001171 0.000754 -0.000051 0.001721 27O 2dz2 0.200570 -0.079842 0.020410 -0.101208 0.013982 -0.048676 27O 2dxz 0.142014 0.000759 -0.021648 0.106305 0.008002 0.136699 27O 2dyz -0.015315 0.070161 -0.011010 -0.027277 -0.072303 -0.032434 27O 2dx2y2 -0.330744 0.007198 0.093152 -0.069716 -0.157593 -0.052219 27O 2dxy 0.014537 0.118810 -0.052462 -0.170937 -0.088984 0.104412 27O 1f0 0.005552 0.006594 -0.000961 0.000480 0.001290 0.000044 27O 1f+1 -0.018001 -0.002368 0.003688 0.006303 -0.006328 -0.001914 27O 1f-1 0.004448 0.000589 -0.000844 -0.004167 0.002268 -0.001277 27O 1f+2 -0.006202 0.005053 0.002112 -0.005195 -0.003626 -0.004212 27O 1f-2 -0.005837 0.001835 0.003169 -0.003474 -0.001160 -0.003801 27O 1f+3 -0.017549 -0.009042 0.003684 0.002103 -0.003351 -0.005120 27O 1f-3 0.009397 0.005314 -0.005495 -0.008010 -0.006413 0.002910 28O 1s 0.000163 0.002461 0.000250 0.001212 0.000054 -0.000195 28O 2s -0.006972 0.008903 -0.002084 0.003125 -0.000998 0.003975 28O 3s 0.192813 -0.075288 0.081217 0.001740 0.026550 -0.112705 28O 4s -0.962505 0.241274 -0.391364 -0.063566 -0.135350 0.590325 28O 5s -2.563886 0.710601 -1.719837 -0.396961 -0.018951 1.125009 28O 1pz -0.017382 0.016068 -0.014126 -0.050654 0.054180 -0.006915 28O 1px -0.073855 0.024800 -0.017272 -0.047342 0.033510 -0.004874 28O 1py -0.015691 0.010820 -0.045460 -0.036181 0.063447 0.009444 28O 2pz 0.583089 -0.171097 0.319367 0.080652 -0.034307 -0.301001 28O 2px -0.677745 0.198310 -0.318743 -0.067285 -0.030134 0.359221 28O 2py 0.087940 -0.051823 0.082951 0.023987 -0.048022 -0.051893 28O 3pz -0.011869 0.081508 0.012282 0.182117 0.567045 -0.622626 28O 3px -1.201479 0.274449 -0.953079 -0.055829 0.032101 0.778439 28O 3py -0.578161 0.545660 -0.055319 -0.002838 0.180247 -0.294870 28O 1dz2 -0.002993 0.000187 -0.001084 -0.004792 0.000985 -0.001317 28O 1dxz -0.010305 0.000514 -0.003981 -0.002477 0.000784 0.008128 28O 1dyz -0.000291 0.003039 -0.004053 -0.001263 0.004737 0.002747 28O 1dx2y2 0.006861 -0.005418 0.001524 0.001003 -0.003811 -0.002225 28O 1dxy -0.000990 0.000665 0.000539 0.001256 -0.000413 0.001876 28O 2dz2 -0.011506 -0.040958 0.188553 0.069182 -0.164206 -0.046400 28O 2dxz 0.305773 -0.119435 0.081559 0.077570 0.007240 -0.155451 28O 2dyz -0.018736 -0.053689 -0.196490 0.031973 -0.052471 0.115459 28O 2dx2y2 -0.228204 0.031166 -0.182725 -0.015530 0.056208 0.075973 28O 2dxy -0.006117 0.198774 -0.016760 0.054292 0.018299 -0.142404 28O 1f0 -0.006144 0.004954 -0.005053 -0.001291 0.001084 0.004140 28O 1f+1 -0.009439 0.003672 -0.006862 0.001453 -0.003669 0.007524 28O 1f-1 0.005973 -0.003034 0.001419 0.001494 -0.002103 -0.009239 28O 1f+2 0.022068 -0.005772 0.012852 0.005856 0.000200 -0.010638 28O 1f-2 -0.006917 0.002213 -0.005730 -0.002333 0.000135 0.001014 28O 1f+3 0.013221 -0.001490 0.011303 0.005863 -0.003869 -0.010166 28O 1f-3 0.002776 -0.004519 0.001694 0.000089 -0.005286 0.001451 29O 1s -0.000070 -0.000542 -0.000455 0.000784 -0.000693 -0.000605 29O 2s 0.000051 -0.002972 -0.004496 0.004087 -0.002231 -0.002355 29O 3s -0.006993 0.044626 0.090104 -0.059459 0.011146 0.023489 29O 4s 0.033908 -0.176176 -0.416256 0.242213 -0.029483 -0.080120 29O 5s -0.007570 0.183569 0.606522 -0.260962 0.123326 0.123459 29O 1pz 0.004576 0.007015 0.003204 -0.026072 0.000424 -0.005240 29O 1px 0.010098 -0.021798 -0.044139 0.030200 0.004179 -0.010037 29O 1py 0.006031 -0.042322 -0.070281 0.036614 0.006767 -0.013202 29O 2pz -0.090516 -0.021833 0.028381 0.054922 -0.023628 0.028886 29O 2px -0.034753 -0.016257 0.002146 0.021728 -0.008094 0.000945 29O 2py 0.001414 0.066928 0.109977 -0.070474 -0.004859 0.022494 29O 3pz 0.315903 0.089754 0.039461 -0.040233 0.071022 0.018650 29O 3px 0.140619 -0.061593 -0.354179 0.203114 -0.079616 -0.001521 29O 3py -0.084738 -0.053276 -0.083162 0.000912 -0.121811 -0.093914 29O 1dz2 -0.000575 0.000415 0.000033 0.000573 -0.000162 0.001593 29O 1dxz 0.001968 0.000270 -0.000732 -0.000195 0.000152 -0.001511 29O 1dyz -0.001229 -0.000027 0.001312 0.001529 -0.000183 -0.002539 29O 1dx2y2 0.000628 0.000805 0.000314 0.000069 0.000619 -0.000693 29O 1dxy 0.000137 -0.000238 -0.001249 0.000742 -0.000424 -0.001837 29O 2dz2 -0.058544 -0.041013 -0.029045 0.059818 -0.017837 -0.023460 29O 2dxz 0.099994 0.003046 -0.028212 -0.055533 0.072432 0.034967 29O 2dyz 0.013814 0.020964 -0.012356 -0.104896 0.004809 -0.005622 29O 2dx2y2 0.025329 0.003795 -0.032774 -0.041849 -0.043772 -0.010393 29O 2dxy 0.026347 0.037234 0.057702 -0.072238 0.068147 0.001966 29O 1f0 -0.004642 0.003027 0.008383 -0.004782 -0.001236 0.001802 29O 1f+1 -0.001882 -0.001656 -0.002268 0.002415 -0.000005 0.000345 29O 1f-1 -0.006468 0.002996 0.010137 -0.004373 -0.001069 0.003335 29O 1f+2 0.001681 -0.001495 -0.003200 0.000528 0.000567 -0.002184 29O 1f-2 0.007597 0.005577 0.004675 -0.006702 0.001405 -0.000821 29O 1f+3 -0.002358 -0.002986 -0.002132 0.002768 -0.001154 -0.000239 29O 1f-3 -0.004428 -0.002925 -0.000679 0.002835 -0.000108 0.001208 30O 1s 0.001560 -0.003216 0.004068 0.000994 0.000334 -0.001110 30O 2s 0.013451 -0.013577 0.007466 0.001268 0.001845 -0.000140 30O 3s -0.246972 0.152016 0.071641 0.033856 -0.023705 -0.072719 30O 4s 1.123087 -0.552410 -0.633214 -0.222812 0.068713 0.459945 30O 5s 2.752119 -1.977395 -1.063986 -0.759044 0.314358 0.829057 30O 1pz -0.039400 -0.023904 0.010351 -0.019328 -0.013487 -0.029895 30O 1px 0.050143 -0.046553 0.004224 -0.085226 -0.047337 0.020263 30O 1py 0.023569 0.018681 0.007192 0.066877 0.054939 -0.016269 30O 2pz -0.468421 0.326903 0.219264 0.143881 0.002200 -0.167386 30O 2px 0.682610 -0.372328 -0.314520 -0.177631 0.033034 0.270816 30O 2py 0.503870 -0.367724 -0.251751 -0.164047 -0.032402 0.174689 30O 3pz -0.246259 0.220967 0.707543 -0.054107 -0.509393 0.088949 30O 3px 1.381671 -1.091912 -0.703112 -0.314175 -0.018717 0.503751 30O 3py -0.038647 0.293481 -0.722991 0.258039 0.291778 0.452494 30O 1dz2 0.000976 0.000307 0.003663 -0.002451 0.002989 -0.000601 30O 1dxz 0.006212 -0.002782 -0.003827 -0.005457 -0.002054 0.005688 30O 1dyz 0.002939 0.002268 -0.000177 0.002377 0.000725 -0.000882 30O 1dx2y2 -0.004379 0.004407 0.000635 0.005573 0.004012 -0.002902 30O 1dxy -0.005977 0.006393 0.006440 0.002979 0.001524 -0.001319 30O 2dz2 -0.112810 0.050820 0.110473 0.000967 0.175428 -0.256986 30O 2dxz -0.243110 0.198472 0.140484 0.111089 -0.047627 0.024676 30O 2dyz -0.253665 0.179254 0.116367 -0.066198 -0.151813 -0.000964 30O 2dx2y2 0.081282 -0.280713 -0.004295 -0.107590 -0.106206 0.011023 30O 2dxy 0.201152 0.024512 -0.073818 -0.132317 -0.081448 0.205365 30O 1f0 0.016491 -0.015081 -0.012964 -0.006803 -0.001265 0.004912 30O 1f+1 -0.001509 0.002024 -0.001139 0.005463 0.002689 -0.001222 30O 1f-1 0.003884 -0.003701 -0.001187 -0.001447 0.000861 0.002302 30O 1f+2 -0.005230 0.004823 0.001404 0.003553 0.000901 0.000545 30O 1f-2 -0.024340 0.014854 0.010736 0.007552 -0.000558 -0.010473 30O 1f+3 0.002457 0.002403 0.000974 0.004478 0.006290 -0.000524 30O 1f-3 -0.011434 0.005529 0.007811 0.003402 -0.001840 -0.007217 31O 1s -0.001056 -0.003230 0.004096 -0.001130 -0.000139 -0.001032 31O 2s -0.011785 -0.014265 0.007359 -0.001392 -0.002016 -0.000541 31O 3s 0.235931 0.168677 0.076236 -0.039521 0.041478 -0.057804 31O 4s -1.097206 -0.633876 -0.656539 0.262105 -0.180670 0.389480 31O 5s -2.608613 -2.162573 -1.123975 0.822335 -0.534642 0.606296 31O 1pz -0.040525 0.021220 -0.011711 -0.017827 -0.021439 0.024844 31O 1px 0.045777 0.049850 -0.004780 -0.085140 -0.040326 -0.029341 31O 1py 0.026258 -0.016488 -0.004066 0.067978 0.047810 0.028547 31O 2pz -0.445527 -0.358678 -0.227231 0.157526 -0.040212 0.146423 31O 2px 0.660926 0.421744 0.326861 -0.198847 0.099742 -0.230009 31O 2py 0.477926 0.400955 0.259227 -0.179389 0.013946 -0.162199 31O 3pz -0.271366 -0.237940 -0.734901 -0.038778 -0.435813 -0.260229 31O 3px 1.302638 1.184219 0.725534 -0.361575 0.130172 -0.451872 31O 3py 0.025805 -0.287843 0.748719 0.211851 0.396645 -0.329331 31O 1dz2 -0.001006 0.000149 0.003632 0.002231 -0.002453 -0.001656 31O 1dxz -0.005975 -0.003270 -0.003784 0.005916 0.000196 0.005717 31O 1dyz -0.003326 0.002091 -0.000332 -0.002368 -0.000607 -0.000989 31O 1dx2y2 0.003980 0.004723 0.000529 -0.005663 -0.003217 -0.003692 31O 1dxy 0.005519 0.006733 0.006481 -0.003312 -0.000904 -0.001426 31O 2dz2 0.109489 0.063703 0.109154 -0.020841 -0.085709 -0.306846 31O 2dxz 0.231410 0.212411 0.145529 -0.111520 0.029223 0.047585 31O 2dyz 0.237108 0.194877 0.126890 0.064558 0.139593 0.050094 31O 2dx2y2 -0.057698 -0.281583 -0.001963 0.107356 0.103342 0.038178 31O 2dxy -0.201790 0.008264 -0.075779 0.144707 0.015850 0.212810 31O 1f0 0.015655 0.016077 0.013215 -0.007461 -0.000086 -0.004420 31O 1f+1 -0.001348 -0.002235 0.001336 0.005543 0.002255 0.001836 31O 1f-1 0.003683 0.004060 0.001291 -0.001579 0.001284 -0.001751 31O 1f+2 -0.005152 -0.005137 -0.001533 0.003450 0.001286 -0.000539 31O 1f-2 -0.023729 -0.016609 -0.011216 0.008233 -0.002777 0.009135 31O 1f+3 0.002988 -0.002084 -0.000703 0.004620 0.005376 0.002235 31O 1f-3 -0.011501 -0.006460 -0.008120 0.003964 -0.003431 0.005904 32O 1s 0.000517 -0.000509 -0.000457 -0.000828 0.000916 -0.000228 32O 2s 0.001388 -0.002845 -0.004517 -0.004202 0.003184 -0.001026 32O 3s -0.001914 0.043474 0.090552 0.059720 -0.022132 0.013642 32O 4s -0.025377 -0.172307 -0.417770 -0.239261 0.067990 -0.049266 32O 5s 0.052625 0.176906 0.603353 0.248984 -0.169136 0.061490 32O 1pz 0.005266 -0.006797 -0.004614 -0.027047 -0.000495 0.007939 32O 1px 0.008488 0.022204 0.044576 0.029865 -0.000163 0.007321 32O 1py 0.000982 0.042282 0.070744 0.036151 0.000009 0.010342 32O 2pz -0.090900 0.016141 -0.025954 0.056784 -0.014557 -0.040059 32O 2px -0.037403 0.013385 -0.001367 0.022929 -0.008812 -0.004337 32O 2py 0.007049 -0.064649 -0.111140 -0.068917 0.006585 -0.017864 32O 3pz 0.320647 -0.066827 -0.031783 -0.042238 0.074755 0.011252 32O 3px 0.145119 0.069283 0.361007 0.192996 -0.084560 -0.044592 32O 3py -0.072579 0.044295 0.078564 -0.000238 -0.146181 0.048925 32O 1dz2 0.000369 0.000501 -0.000094 -0.000386 -0.000422 0.001658 32O 1dxz -0.001767 0.000117 -0.000811 0.000181 0.000311 -0.001428 32O 1dyz 0.001337 0.000088 0.001335 -0.001735 0.000998 -0.002221 32O 1dx2y2 -0.001105 0.000794 0.000267 0.000000 -0.000506 -0.000895 32O 1dxy -0.000219 -0.000200 -0.001256 -0.000819 0.000983 -0.001586 32O 2dz2 0.064735 -0.038482 -0.029946 -0.063934 0.026424 -0.010632 32O 2dxz -0.098976 -0.004407 -0.030137 0.054608 -0.080117 0.008497 32O 2dyz -0.016770 0.016728 -0.012582 0.104798 -0.003669 -0.012586 32O 2dx2y2 -0.022560 0.000641 -0.033211 0.039314 0.046134 0.006539 32O 2dxy -0.034513 0.034301 0.058580 0.069703 -0.067764 -0.029461 32O 1f0 -0.003770 -0.002989 -0.007949 -0.004497 -0.000301 -0.001677 32O 1f+1 -0.002202 0.001663 0.002634 0.002721 -0.000100 -0.000412 32O 1f-1 -0.005906 -0.003486 -0.010594 -0.004634 0.000369 -0.003182 32O 1f+2 0.001210 0.001808 0.003646 0.000932 -0.000317 0.002288 32O 1f-2 0.008067 -0.004825 -0.004539 -0.006659 0.001441 0.001790 32O 1f+3 -0.002728 0.002601 0.001965 0.002579 -0.001360 -0.000349 32O 1f-3 -0.004822 0.002563 0.000614 0.002837 0.000100 -0.001531 33O 1s 0.000021 0.002501 0.000298 -0.001285 -0.000054 -0.000042 33O 2s 0.007410 0.009556 -0.001801 -0.003017 -0.000544 0.004358 33O 3s -0.192275 -0.089560 0.076646 -0.009440 0.012633 -0.111670 33O 4s 0.950389 0.309749 -0.372469 0.106697 -0.063368 0.577826 33O 5s 2.531995 0.889002 -1.652395 0.490113 -0.282603 0.993763 33O 1pz -0.016900 -0.016787 0.012702 -0.049323 0.047366 0.026133 33O 1px -0.071879 -0.028761 0.015187 -0.047164 0.028898 0.018647 33O 1py -0.016887 -0.010950 0.045550 -0.037463 0.061399 0.013094 33O 2pz 0.579432 0.212231 -0.305234 0.102867 -0.122315 0.258725 33O 2px -0.671423 -0.245213 0.305728 -0.095111 0.086145 -0.332549 33O 2py 0.088509 0.058657 -0.080276 0.027696 -0.058479 0.032916 33O 3pz -0.047437 -0.086352 0.006062 0.220970 0.311926 0.732378 33O 3px -1.194378 -0.362521 0.925648 -0.115704 0.255524 -0.700377 33O 3py -0.563902 -0.580101 0.045571 0.018905 0.045603 0.322549 33O 1dz2 0.003189 0.000354 -0.000942 0.004734 -0.000484 -0.001927 33O 1dxz 0.010235 0.001212 -0.003736 0.002972 -0.003079 0.007212 33O 1dyz 0.000442 0.003046 -0.004048 0.001457 -0.005230 0.001042 33O 1dx2y2 -0.006568 -0.005781 0.001492 -0.001187 0.004353 -0.000738 33O 1dxy 0.000889 0.000728 0.000590 -0.001229 0.000101 0.002004 33O 2dz2 0.007972 -0.042337 0.187692 -0.074790 0.170950 0.003695 33O 2dxz -0.298907 -0.138699 0.071914 -0.087080 0.040655 -0.140632 33O 2dyz 0.028795 -0.045620 -0.193821 -0.022260 0.010461 0.125293 33O 2dx2y2 0.235538 0.047418 -0.178437 0.023046 -0.076290 0.048095 33O 2dxy -0.002865 0.194833 -0.018063 -0.062846 0.035221 -0.135939 33O 1f0 -0.005803 -0.005252 0.004873 -0.001678 0.002471 -0.003380 33O 1f+1 -0.009155 -0.004314 0.006642 0.000744 -0.000509 -0.007829 33O 1f-1 0.006155 0.003511 -0.001185 0.001892 -0.004704 0.007952 33O 1f+2 0.021555 0.007275 -0.012326 0.006760 -0.003426 0.009173 33O 1f-2 -0.006979 -0.002727 0.005606 -0.002597 0.000694 -0.000666 33O 1f+3 0.013298 0.002439 -0.010893 0.006618 -0.006797 0.007822 33O 1f-3 0.002583 0.004561 -0.001700 0.000002 -0.004331 -0.003007 34O 1s -0.001307 -0.003430 0.004364 0.003269 0.000465 0.000947 34O 2s 0.002786 -0.008830 0.014645 0.005643 0.001391 0.000895 34O 3s -0.160318 0.009902 -0.095327 0.054058 -0.016975 0.041068 34O 4s 0.831085 0.305267 0.211084 -0.441886 0.055076 -0.351164 34O 5s 2.474495 -0.860583 0.585792 -0.854689 0.675863 -0.250022 34O 1pz -0.028677 0.032158 -0.014340 -0.048888 -0.036137 -0.017986 34O 1px 0.074685 -0.003322 0.012312 -0.004372 0.024482 0.012865 34O 1py 0.032416 -0.040426 0.002308 0.042296 0.078810 -0.014654 34O 2pz -0.045350 -0.019852 -0.004899 0.083529 0.016817 0.021608 34O 2px 0.807687 0.081865 0.226208 -0.287280 0.134806 -0.223931 34O 2py -0.179616 -0.011758 -0.033978 0.008494 -0.074936 0.034562 34O 3pz -0.639910 0.181218 -0.217027 -0.011172 -0.105839 0.386772 34O 3px 0.795000 0.075530 0.110872 -0.517067 0.257105 -0.205143 34O 3py 0.681297 0.014588 0.158354 0.177083 -0.069261 0.225724 34O 1dz2 0.005440 -0.001668 0.003308 0.000830 -0.000943 -0.002598 34O 1dxz 0.001718 -0.002524 0.002680 0.000210 0.000283 -0.000551 34O 1dyz 0.000077 -0.002975 -0.001160 -0.005042 -0.002358 0.004156 34O 1dx2y2 -0.009595 -0.003800 -0.002802 0.001677 -0.006193 0.002387 34O 1dxy 0.002867 0.002852 -0.001226 -0.000639 -0.000543 0.001586 34O 2dz2 -0.193639 -0.092504 0.022906 0.101561 -0.007466 -0.054132 34O 2dxz -0.137145 -0.012693 -0.024151 -0.096755 -0.049507 0.133444 34O 2dyz 0.015700 0.073891 -0.006247 0.030331 0.071134 -0.009731 34O 2dx2y2 0.321421 0.027990 0.100280 0.062166 0.177357 -0.001987 34O 2dxy -0.027802 0.114243 -0.046547 0.179670 0.054289 0.116702 34O 1f0 0.006081 -0.006105 0.001088 0.000428 0.001331 0.000330 34O 1f+1 -0.017684 0.001088 -0.003703 0.006771 -0.007538 -0.000586 34O 1f-1 0.004326 -0.000265 0.000850 -0.004144 0.002017 0.002197 34O 1f+2 -0.005625 -0.005455 -0.002295 -0.004860 -0.004852 0.003247 34O 1f-2 -0.005575 -0.002277 -0.003340 -0.003095 -0.002432 0.003317 34O 1f+3 -0.017634 0.007744 -0.003778 0.002668 -0.005551 0.003484 34O 1f-3 0.009464 -0.004621 0.005219 -0.008591 -0.004375 -0.004205 35O 1s 0.001733 0.004331 -0.000642 0.002499 -0.001462 -0.002282 35O 2s -0.003580 0.011003 -0.005186 0.007750 -0.002308 -0.012592 35O 3s 0.201056 -0.002251 0.097589 -0.051502 -0.022072 0.183227 35O 4s -1.039041 -0.362828 -0.328173 0.101086 0.159636 -0.732489 35O 5s -2.624329 0.243817 -1.882721 0.571432 0.257457 -2.267933 35O 1pz -0.019736 -0.001823 0.032886 -0.054787 0.062886 0.023154 35O 1px -0.081139 0.016530 -0.016811 0.017203 -0.043404 -0.039298 35O 1py -0.028781 -0.027307 0.007653 0.008939 0.056409 0.005984 35O 2pz -0.076004 -0.021361 -0.069812 0.100640 -0.034267 -0.119128 35O 2px -0.852099 -0.165347 -0.342024 0.143997 0.094941 -0.641863 35O 2py -0.367049 -0.068053 -0.179200 0.077002 -0.008438 -0.301883 35O 3pz 0.782219 -0.184051 -0.109831 -0.201103 0.049817 0.199025 35O 3px -1.025776 -0.309990 -0.981095 0.260793 0.261951 -1.200502 35O 3py -0.023819 -0.011943 -0.119729 -0.121782 0.163619 -0.570271 35O 1dz2 -0.003205 -0.002522 0.000841 0.005843 0.000773 -0.008458 35O 1dxz 0.001599 0.001855 0.000417 -0.000240 0.000522 0.000232 35O 1dyz 0.001831 -0.003772 -0.000665 0.000767 -0.005093 -0.002793 35O 1dx2y2 0.006536 -0.000224 0.002595 0.001397 0.002812 0.004592 35O 1dxy 0.006361 0.002113 0.001551 -0.001274 0.000067 0.003720 35O 2dz2 0.154795 0.031911 0.110464 -0.050560 0.115513 0.094313 35O 2dxz -0.001831 -0.027385 -0.016754 -0.108331 0.054630 0.011971 35O 2dyz -0.061997 0.007181 -0.167723 -0.059023 0.126190 -0.051940 35O 2dx2y2 -0.276946 -0.130064 -0.122150 0.180925 -0.117510 -0.211661 35O 2dxy -0.268075 0.038714 -0.047536 0.027758 0.096209 -0.286717 35O 1f0 0.005680 -0.000573 0.004477 0.004290 -0.001873 0.000840 35O 1f+1 0.014420 0.001608 0.013111 -0.002028 0.001915 0.011738 35O 1f-1 0.007929 -0.005036 0.009125 0.002042 -0.001483 0.002563 35O 1f+2 0.001018 0.002939 0.000479 -0.002856 0.008436 0.001308 35O 1f-2 -0.008612 -0.002442 -0.003982 0.000187 0.002205 -0.007916 35O 1f+3 0.010081 -0.000252 0.007629 -0.005716 0.004195 0.009040 35O 1f-3 0.024971 0.000543 0.016799 -0.008855 -0.004208 0.026096 366 367 368 369 370 371 1.89863 1.90234 1.91435 1.92786 1.94552 1.95490 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s 0.000506 -0.000038 0.000167 0.000442 0.000374 -0.000018 0Rh 2s -0.000896 -0.000750 -0.001337 -0.002600 -0.000637 0.000115 0Rh 3s 0.002426 -0.000681 0.000165 0.001007 0.001807 -0.000034 0Rh 4s 0.004226 0.003805 0.006661 0.012868 0.002875 -0.000564 0Rh 5s 0.003965 -0.010600 -0.011921 -0.019324 0.005192 0.000836 0Rh 6s -0.042644 0.017892 0.005230 -0.005561 -0.043595 0.000549 0Rh 7s -0.149165 0.216942 0.006002 0.079254 0.313199 -0.071827 0Rh 8s -0.140359 0.104792 0.027853 0.159717 0.041310 -0.001727 0Rh 1pz 0.007784 -0.005342 0.012005 0.012422 0.012031 0.000805 0Rh 1px -0.001033 0.000015 0.012440 0.009500 -0.018530 -0.001604 0Rh 1py -0.011279 0.012184 -0.007042 0.019441 0.011189 0.002284 0Rh 2pz -0.026608 0.018216 -0.040691 -0.041967 -0.041700 -0.002500 0Rh 2px 0.003106 0.000330 -0.042905 -0.032975 0.064683 0.005507 0Rh 2py 0.038407 -0.041542 0.023951 -0.066528 -0.037830 -0.008173 0Rh 3pz 0.005408 -0.002170 0.000100 -0.002170 0.018177 -0.005656 0Rh 3px 0.009440 -0.008923 0.015466 0.016383 -0.038529 -0.001544 0Rh 3py -0.002387 0.005022 -0.001539 0.012794 -0.002432 0.009840 0Rh 4pz 0.140681 -0.105950 0.251442 0.264183 0.194160 0.043160 0Rh 4px -0.065456 0.040082 0.206777 0.140095 -0.255542 -0.027662 0Rh 4py -0.238863 0.240169 -0.144037 0.364990 0.245648 0.006613 0Rh 5pz -0.223515 0.182409 -0.398559 -0.411373 -0.331653 -0.094261 0Rh 5px 0.170138 -0.115226 -0.335432 -0.226004 0.431879 0.044202 0Rh 5py 0.426472 -0.401356 0.237519 -0.589470 -0.399666 0.015867 0Rh 6pz 0.813936 -0.320248 0.782078 0.925524 0.714951 0.337568 0Rh 6px -0.693986 0.508577 0.730063 0.596264 -1.382930 -0.011102 0Rh 6py -0.424232 1.177006 -0.498536 1.114511 0.890939 -0.129238 0Rh 1dz2 -0.002945 0.004452 0.008000 -0.003594 0.011349 0.010311 0Rh 1dxz 0.001416 -0.001641 0.001597 -0.010163 0.007361 -0.000047 0Rh 1dyz 0.009590 0.011397 -0.005325 0.001140 -0.002668 -0.003463 0Rh 1dx2y2 -0.005175 0.004521 0.009113 0.000460 -0.003624 0.002993 0Rh 1dxy 0.007298 0.001631 0.001379 -0.002138 -0.003642 0.005787 0Rh 2dz2 0.000628 -0.000546 -0.000231 0.002313 -0.001535 -0.001421 0Rh 2dxz -0.000244 0.000437 -0.000355 0.001359 -0.003326 0.000590 0Rh 2dyz -0.000010 -0.001092 0.001896 0.001132 0.003149 0.000274 0Rh 2dx2y2 0.002002 -0.001401 -0.003013 -0.001135 0.003007 -0.000171 0Rh 2dxy 0.000180 0.000809 0.000529 -0.001317 0.001319 -0.001086 0Rh 3dz2 0.004709 -0.008719 -0.019430 -0.001260 -0.021898 -0.020020 0Rh 3dxz -0.002325 0.002148 -0.002321 0.019642 -0.003709 -0.002470 0Rh 3dyz -0.023853 -0.023603 0.005049 -0.007982 -0.007132 0.007696 0Rh 3dx2y2 0.004153 -0.005193 -0.009492 0.003992 -0.004518 -0.006895 0Rh 3dxy -0.019136 -0.007327 -0.005825 0.011455 0.003409 -0.009952 0Rh 4dz2 0.009270 -0.009705 -0.000515 0.037712 -0.027333 -0.020583 0Rh 4dxz -0.007512 0.008355 -0.009342 0.023037 -0.056053 0.008335 0Rh 4dyz -0.004281 -0.021923 0.029688 0.018280 0.046018 0.003979 0Rh 4dx2y2 0.032459 -0.022396 -0.050371 -0.018672 0.051500 -0.001813 0Rh 4dxy 0.002319 0.005248 0.008697 -0.023893 0.018329 -0.016113 0Rh 5dz2 -0.031455 0.031771 -0.047154 -0.166189 0.113859 0.033476 0Rh 5dxz 0.061215 -0.050775 0.088647 -0.074623 0.242403 -0.023214 0Rh 5dyz -0.011010 0.093080 -0.120388 -0.089397 -0.145010 -0.023617 0Rh 5dx2y2 -0.153629 0.100006 0.215138 0.069499 -0.212318 -0.011601 0Rh 5dxy -0.066921 0.040065 -0.065432 0.142791 -0.011199 0.032493 0Rh 1f0 0.003136 0.089601 -0.088688 0.062969 0.019373 0.130603 0Rh 1f+1 -0.016937 -0.069054 -0.038035 0.009384 0.012675 -0.032446 0Rh 1f-1 0.144516 0.078751 0.080692 0.194806 0.128321 0.003539 0Rh 1f+2 0.015034 0.046466 -0.100016 -0.099118 0.098285 0.036764 0Rh 1f-2 -0.157958 -0.065395 -0.035136 0.041621 0.044103 0.008477 0Rh 1f+3 0.087938 -0.082552 0.005648 0.029194 0.022166 0.049834 0Rh 1f-3 0.065894 0.139961 -0.009219 -0.024771 0.026749 0.048427 1Rh 1s 0.000462 -0.000021 -0.000126 -0.000404 -0.000405 -0.000013 1Rh 2s -0.000712 -0.000836 0.001175 0.002422 0.000769 0.000120 1Rh 3s 0.002283 -0.000638 -0.000018 -0.000892 -0.001909 -0.000005 1Rh 4s 0.003327 0.004229 -0.005873 -0.011995 -0.003523 -0.000598 1Rh 5s 0.004927 -0.011194 0.011175 0.018249 -0.004471 0.001112 1Rh 6s -0.040711 0.017548 -0.007350 0.004242 0.044925 -0.000523 1Rh 7s -0.169335 0.218761 0.002701 -0.065878 -0.322203 -0.062839 1Rh 8s -0.129814 0.109655 -0.028245 -0.161454 -0.043625 0.001426 1Rh 1pz -0.007908 0.005502 0.011511 0.012024 0.011878 -0.001416 1Rh 1px 0.000763 -0.000396 0.012453 0.009233 -0.018612 0.002151 1Rh 1py 0.011511 -0.011793 -0.007401 0.019584 0.011142 -0.002784 1Rh 2pz 0.027053 -0.018763 -0.039001 -0.040583 -0.041179 0.004605 1Rh 2px -0.002178 0.000992 -0.042952 -0.032058 0.064972 -0.007422 1Rh 2py -0.039160 0.040232 0.025177 -0.067015 -0.037642 0.009862 1Rh 3pz -0.005850 0.002331 -0.000154 -0.002913 0.018165 0.005048 1Rh 3px -0.009684 0.008295 0.015567 0.016158 -0.038748 0.002794 1Rh 3py 0.001799 -0.005289 -0.001732 0.012866 -0.003140 -0.009718 1Rh 4pz -0.142065 0.108622 0.241684 0.258695 0.190779 -0.054106 1Rh 4px 0.060613 -0.045809 0.206658 0.135199 -0.256598 0.034823 1Rh 4py 0.245042 -0.231409 -0.150732 0.367783 0.247839 -0.017667 1Rh 5pz 0.226434 -0.186502 -0.381793 -0.403611 -0.325469 0.112567 1Rh 5px -0.161744 0.124443 -0.335410 -0.217665 0.433963 -0.056377 1Rh 5py -0.434252 0.388490 0.247709 -0.594217 -0.405873 0.002167 1Rh 6pz -0.795885 0.330330 0.747923 0.910673 0.704012 -0.377848 1Rh 6px 0.655133 -0.527713 0.732044 0.576994 -1.384263 0.049008 1Rh 6py 0.452392 -1.148394 -0.531553 1.124196 0.915610 0.089315 1Rh 1dz2 -0.003080 0.004283 -0.007914 0.003675 -0.010972 0.010629 1Rh 1dxz 0.001401 -0.001622 -0.001797 0.010203 -0.007398 0.000146 1Rh 1dyz 0.009194 0.011050 0.005411 -0.000931 0.002421 -0.003501 1Rh 1dx2y2 -0.005229 0.004595 -0.009285 -0.000549 0.003472 0.002798 1Rh 1dxy 0.007439 0.001883 -0.001118 0.002228 0.004114 0.005578 1Rh 2dz2 0.000756 -0.000477 0.000177 -0.002333 0.001487 -0.001425 1Rh 2dxz -0.000250 0.000447 0.000386 -0.001374 0.003350 0.000485 1Rh 2dyz 0.000195 -0.000942 -0.001926 -0.001157 -0.003100 0.000411 1Rh 2dx2y2 0.001964 -0.001443 0.003071 0.001172 -0.003005 -0.000075 1Rh 2dxy 0.000159 0.000813 -0.000526 0.001317 -0.001426 -0.001028 1Rh 3dz2 0.004472 -0.008612 0.019449 0.001143 0.021154 -0.020806 1Rh 3dxz -0.002265 0.002054 0.002697 -0.019678 0.003695 -0.002485 1Rh 3dyz -0.023778 -0.023405 -0.005130 0.007566 0.007546 0.007181 1Rh 3dx2y2 0.004463 -0.005193 0.009673 -0.003929 0.004889 -0.006839 1Rh 3dxy -0.019400 -0.007985 0.005165 -0.011677 -0.004141 -0.009677 1Rh 4dz2 0.011445 -0.008433 -0.000283 -0.037984 0.026627 -0.020714 1Rh 4dxz -0.007553 0.008520 0.009707 -0.023269 0.056447 0.006505 1Rh 4dyz -0.000753 -0.019369 -0.030350 -0.018744 -0.045267 0.006052 1Rh 4dx2y2 0.031845 -0.023072 0.051255 0.019226 -0.051371 -0.000143 1Rh 4dxy 0.002033 0.005372 -0.008965 0.023858 -0.019882 -0.015306 1Rh 5dz2 -0.043451 0.024191 0.051007 0.166552 -0.113063 0.033438 1Rh 5dxz 0.062152 -0.050890 -0.088047 0.075249 -0.244364 -0.014238 1Rh 5dyz -0.031918 0.078440 0.127414 0.090656 0.141520 -0.031447 1Rh 5dx2y2 -0.152053 0.101994 -0.218465 -0.071831 0.211804 -0.018728 1Rh 5dxy -0.067396 0.036997 0.069176 -0.143167 0.014891 0.031531 1Rh 1f0 -0.000440 -0.087238 -0.090800 0.062076 0.012541 -0.131156 1Rh 1f+1 0.021109 0.071380 -0.042644 0.009543 0.013485 0.033025 1Rh 1f-1 -0.138708 -0.074721 0.078213 0.191289 0.125409 -0.010620 1Rh 1f+2 -0.016854 -0.046309 -0.098775 -0.095752 0.096625 -0.038825 1Rh 1f-2 0.167631 0.072867 -0.038719 0.044937 0.043506 -0.010556 1Rh 1f+3 -0.090682 0.080908 0.005037 0.026677 0.020734 -0.050979 1Rh 1f-3 -0.062294 -0.138466 -0.010828 -0.025447 0.027324 -0.049530 2C 1s 0.008093 0.013397 -0.002020 -0.000453 0.000837 0.001696 2C 2s 0.031214 0.050494 -0.009545 -0.007521 0.002585 0.006609 2C 3s -0.528535 -0.637313 0.140493 0.138957 -0.189410 -0.119079 2C 4s 2.009689 1.794946 -0.344501 -0.252014 1.189109 0.444816 2C 5s 1.155543 2.390623 -0.033005 0.074775 0.240630 0.052536 2C 1pz -0.129770 -0.126544 -0.043675 0.078638 -0.032314 0.006096 2C 1px -0.039501 -0.138538 0.091449 0.162465 0.045842 0.002562 2C 1py 0.042687 -0.201196 0.174532 -0.045873 0.067429 -0.088267 2C 2pz 1.217264 0.757647 0.097619 -0.257765 0.691730 0.160785 2C 2px 0.112381 0.581817 -0.374693 -0.614067 0.010730 0.056755 2C 2py 0.331053 0.928803 -0.571255 0.096619 0.212912 0.287469 2C 3pz 0.472186 0.751043 -0.165388 0.006026 0.119415 0.140497 2C 3px -0.025681 0.267106 -0.058271 -0.115047 -0.118366 0.009114 2C 3py 0.315468 0.443952 0.112605 -0.090673 0.116358 -0.057134 2C 1dz2 -0.038921 -0.001959 0.003787 0.008870 -0.029812 -0.015033 2C 1dxz -0.005482 0.001143 -0.011303 0.008402 0.013913 -0.005658 2C 1dyz -0.036180 -0.000241 -0.008042 0.004239 -0.031929 -0.000267 2C 1dx2y2 -0.006584 0.031613 -0.014900 -0.005448 -0.013827 -0.005417 2C 1dxy 0.028765 -0.018169 0.020561 -0.005754 0.028576 0.004233 2C 2dz2 0.440986 0.199827 0.044439 -0.074462 0.228619 0.071185 2C 2dxz 0.088173 0.159183 -0.042499 -0.052949 0.152582 0.050399 2C 2dyz 0.473258 0.486009 -0.170760 -0.128049 0.287253 0.131287 2C 2dx2y2 -0.146140 -0.098293 0.005971 -0.083521 -0.070085 -0.031585 2C 2dxy 0.062565 0.125652 -0.042258 -0.107556 0.063968 0.026590 2C 1f0 -0.041104 0.042903 -0.030779 -0.009308 -0.047605 -0.005771 2C 1f+1 0.021628 -0.002563 0.008027 -0.039122 0.016177 0.004014 2C 1f-1 0.023506 -0.056801 0.034422 0.033270 0.051409 -0.003903 2C 1f+2 -0.003530 -0.003880 0.017084 0.012492 -0.006902 -0.003048 2C 1f-2 0.002604 -0.006540 -0.000926 0.026161 0.042037 -0.002218 2C 1f+3 -0.045325 0.037601 -0.036031 0.003788 -0.027638 -0.000217 2C 1f-3 -0.005603 0.030224 -0.026065 -0.049547 -0.024515 -0.006901 3C 1s -0.011107 -0.008625 0.000086 -0.000962 0.001485 -0.003014 3C 2s -0.040444 -0.034986 -0.002200 -0.004453 0.007680 -0.010345 3C 3s 0.370934 0.635148 -0.088024 0.260919 -0.149260 0.138143 3C 4s -0.572182 -2.489958 0.825697 -1.457934 0.471737 -0.402622 3C 5s -1.964499 -1.908181 -0.141626 -0.104418 -0.282483 0.041262 3C 1pz 0.019992 0.019086 -0.176657 0.034706 -0.003599 0.068750 3C 1px 0.147608 0.026675 -0.000074 0.040030 -0.171023 0.031962 3C 1py -0.153924 -0.107635 -0.185294 0.041578 -0.008987 -0.023517 3C 2pz 0.021459 -0.677073 0.866389 -0.570378 0.042083 -0.196283 3C 2px -0.421216 -0.445484 0.144727 -0.395154 0.589754 0.023076 3C 2py 0.378557 1.310598 0.137632 0.519651 -0.104002 0.180322 3C 3pz -0.322922 -0.338966 -0.082231 -0.080071 -0.094643 0.005950 3C 3px -0.263940 -0.184391 -0.101478 0.024613 -0.096749 0.017862 3C 3py 0.571489 0.664550 -0.086851 0.139866 -0.115525 0.111522 3C 1dz2 -0.006341 0.006054 0.013099 -0.000835 0.003096 -0.002959 3C 1dxz 0.027913 -0.005406 -0.023969 0.021480 -0.000668 -0.016532 3C 1dyz 0.033639 -0.051522 0.029130 -0.046681 0.011597 0.005870 3C 1dx2y2 0.001074 -0.038524 -0.012555 -0.004396 0.014930 -0.013139 3C 1dxy -0.009755 -0.008059 -0.003657 -0.000603 -0.018740 0.004659 3C 2dz2 0.055932 0.142420 0.111024 0.053037 -0.037360 -0.005694 3C 2dxz 0.000452 -0.207283 0.140095 -0.152603 0.037057 0.019601 3C 2dyz 0.114600 0.557068 -0.138293 0.334922 -0.111505 0.106671 3C 2dx2y2 0.053821 0.424817 -0.106137 0.224926 -0.001727 0.108733 3C 2dxy 0.068419 0.378524 -0.139822 0.265287 -0.142223 -0.034271 3C 1f0 -0.031110 -0.003916 -0.068193 0.037958 0.003592 -0.011253 3C 1f+1 -0.038834 0.007607 -0.019814 0.006377 0.033136 0.010892 3C 1f-1 0.012250 -0.008165 0.038994 -0.057544 -0.000925 0.011094 3C 1f+2 -0.059821 0.022650 -0.051216 0.047395 0.017769 -0.002277 3C 1f-2 -0.018845 0.015949 -0.028232 0.035026 -0.018177 -0.006196 3C 1f+3 0.037123 -0.030479 -0.033386 0.006183 -0.003265 -0.000670 3C 1f-3 0.040444 -0.019722 0.022029 0.000439 -0.017196 -0.003140 4C 1s -0.007584 -0.010632 0.003451 0.010490 0.000034 -0.000961 4C 2s -0.024872 -0.036589 0.012420 0.035482 0.000323 -0.003559 4C 3s 0.429117 0.979205 -0.470681 -0.912117 -0.322030 0.157963 4C 4s -1.490192 -4.225821 2.107144 3.645642 1.552091 -0.746597 4C 5s -0.015527 -1.310522 1.042100 1.958732 1.053442 -0.111895 4C 1pz -0.017572 0.166609 -0.058261 -0.218246 -0.139997 -0.013194 4C 1px 0.023380 -0.071361 0.130774 0.057614 -0.187629 -0.065039 4C 1py -0.053460 0.102820 -0.108723 0.001586 -0.171524 0.072743 4C 2pz 0.950216 -0.460541 0.487109 1.137610 0.805363 0.204222 4C 2px -0.326623 0.843467 -0.940389 -0.649451 2.221681 0.549288 4C 2py 0.661835 -0.051356 0.295993 0.008435 1.442384 -0.320789 4C 3pz 1.365720 2.534698 0.215821 0.472849 0.237949 0.125598 4C 3px 0.822685 0.782834 -0.132130 -0.173243 0.761040 0.167005 4C 3py 1.135906 1.826404 -0.176535 0.336400 0.518595 0.208442 4C 1dz2 -0.011991 -0.008594 -0.007780 0.022944 0.016581 -0.009348 4C 1dxz -0.017710 0.003451 -0.023258 0.011347 -0.009777 -0.003464 4C 1dyz -0.039714 -0.003819 0.004741 0.020077 -0.021754 -0.001663 4C 1dx2y2 -0.001337 0.002926 -0.027609 -0.005695 -0.003946 -0.003239 4C 1dxy 0.008162 -0.020665 0.018151 -0.006205 0.013490 -0.004009 4C 2dz2 -0.126568 -0.321812 0.159842 -0.016256 -0.654833 0.040552 4C 2dxz -0.489859 0.359015 -0.506258 -0.740495 0.157683 0.232570 4C 2dyz -0.383253 -0.450590 0.140999 0.147400 -0.175767 -0.202509 4C 2dx2y2 0.329879 -0.339785 0.360382 0.640496 0.670174 0.180132 4C 2dxy -0.471133 0.159509 -0.147355 0.021436 0.433754 -0.023679 4C 1f0 0.014852 0.016832 0.001670 -0.035722 -0.005002 -0.010176 4C 1f+1 -0.006885 0.056065 -0.028120 -0.053971 -0.032558 -0.000978 4C 1f-1 0.018572 0.078624 -0.028036 -0.052084 -0.050540 -0.000668 4C 1f+2 -0.013295 -0.063634 0.051179 0.044594 0.004876 -0.049038 4C 1f-2 0.034438 0.026421 -0.008068 -0.041374 0.022566 -0.013126 4C 1f+3 0.011763 -0.021415 -0.000191 0.020034 -0.018097 0.036317 4C 1f-3 0.020264 0.008026 -0.002266 -0.029411 -0.046096 -0.012229 5C 1s 0.009250 0.008979 0.004868 0.002435 -0.005056 0.001243 5C 2s 0.031519 0.029572 0.015742 0.008491 -0.017563 0.005289 5C 3s -0.878333 -0.509492 -0.590259 0.059752 0.454180 -0.241134 5C 4s 3.745997 1.837173 2.505290 -0.431501 -1.875130 1.163851 5C 5s 1.290362 0.240821 1.550594 -0.430272 -0.844189 0.172452 5C 1pz -0.092517 0.008835 -0.016978 0.104432 0.112262 -0.052642 5C 1px -0.219669 0.200634 -0.053611 0.140858 -0.159263 -0.126459 5C 1py 0.248178 -0.043500 0.299404 -0.154855 -0.054688 -0.009298 5C 2pz 0.210009 -0.363109 0.457350 -0.620079 -0.550150 0.136893 5C 2px 1.598103 -1.902344 0.320566 -1.226268 1.201075 1.196890 5C 2py -0.972610 0.953617 -1.660555 1.293161 0.307756 0.283748 5C 3pz -1.269149 -1.086447 0.272351 0.165122 -0.120262 -0.169028 5C 3px -0.526629 -1.407568 -0.015931 -0.419440 0.349648 -0.069778 5C 3py 2.099515 2.001408 -0.177164 0.306878 0.388943 0.212342 5C 1dz2 -0.011328 -0.006505 0.006620 -0.039277 -0.013989 -0.006518 5C 1dxz 0.010902 0.006426 -0.021278 0.004626 -0.014169 -0.007954 5C 1dyz -0.001870 -0.033881 0.009974 -0.002369 0.022088 0.003691 5C 1dx2y2 0.008664 -0.025029 -0.014309 -0.029559 0.003394 0.002778 5C 1dxy 0.009491 -0.026410 -0.016082 -0.001858 -0.012968 0.000102 5C 2dz2 -0.290963 -0.004880 -0.252439 0.166536 0.068831 -0.086235 5C 2dxz -0.227166 0.181183 -0.348827 0.093368 0.334809 0.327784 5C 2dyz -0.150435 -0.570352 -0.094658 -0.224555 0.343011 -0.020909 5C 2dx2y2 0.462150 -0.645303 0.706291 -0.627561 0.031198 0.468677 5C 2dxy -0.266667 0.008558 0.313549 -0.102942 -0.467059 -0.423350 5C 1f0 0.017990 0.007387 0.009007 -0.014518 -0.006167 0.031487 5C 1f+1 -0.025659 0.003206 -0.026328 0.029446 0.003241 -0.003511 5C 1f-1 0.013213 -0.020013 -0.027230 -0.021158 -0.001619 0.042950 5C 1f+2 0.057292 0.029475 0.040043 -0.003426 -0.009425 -0.020564 5C 1f-2 0.040687 0.037481 0.042442 -0.012033 -0.046558 0.022324 5C 1f+3 -0.080795 0.000684 -0.051164 0.016072 0.024205 -0.014414 5C 1f-3 0.031510 0.013421 0.041929 -0.017332 -0.009655 0.016484 6C 1s 0.009648 0.009320 -0.004707 -0.002376 0.005089 0.001146 6C 2s 0.032908 0.030760 -0.015242 -0.008330 0.017719 0.004905 6C 3s -0.899427 -0.535864 0.586981 -0.061930 -0.462634 -0.227245 6C 4s 3.817565 1.943474 -2.502236 0.436335 1.916582 1.101149 6C 5s 1.313897 0.270052 -1.544753 0.435510 0.853413 0.147579 6C 1pz 0.087729 -0.010477 -0.020449 0.102854 0.112431 0.047521 6C 1px 0.214709 -0.203123 -0.052900 0.144493 -0.149453 0.132021 6C 1py -0.241715 0.046522 0.299563 -0.156283 -0.054276 0.009649 6C 2pz -0.177648 0.379424 0.477860 -0.614745 -0.536808 -0.113461 6C 2px -1.551481 1.932776 0.311773 -1.246644 1.111482 -1.242210 6C 2py 0.917587 -0.985354 -1.671650 1.299042 0.290953 -0.287950 6C 3pz 1.253513 1.080511 0.278452 0.172556 -0.113908 0.171443 6C 3px 0.561498 1.436049 0.006143 -0.428327 0.347463 0.059389 6C 3py -2.087185 -1.996433 -0.193394 0.293380 0.378498 -0.230485 6C 1dz2 -0.011339 -0.006417 -0.006150 0.039384 0.013942 -0.007462 6C 1dxz 0.010759 0.007155 0.021034 -0.004686 0.013846 -0.008284 6C 1dyz -0.003169 -0.034841 -0.010394 0.001888 -0.021718 0.004589 6C 1dx2y2 0.007525 -0.025565 0.013983 0.029250 -0.002963 0.002483 6C 1dxy 0.007726 -0.027324 0.015192 0.001235 0.012772 -0.000314 6C 2dz2 -0.303379 -0.012474 0.244385 -0.166068 -0.079847 -0.083556 6C 2dxz -0.215677 0.178751 0.368173 -0.090799 -0.316951 0.337425 6C 2dyz -0.165342 -0.587353 0.100227 0.223131 -0.333091 -0.007732 6C 2dx2y2 0.454901 -0.646695 -0.694910 0.629846 -0.005043 0.471282 6C 2dxy -0.272824 0.002898 -0.325037 0.103963 0.431698 -0.439445 6C 1f0 -0.018067 -0.007125 0.008211 -0.014584 -0.007506 -0.031096 6C 1f+1 0.026438 -0.003085 -0.025359 0.029736 0.003443 0.003359 6C 1f-1 -0.012642 0.019979 -0.026363 -0.021105 -0.003008 -0.042311 6C 1f+2 -0.057866 -0.030757 0.040357 -0.003484 -0.008803 0.020686 6C 1f-2 -0.042103 -0.039399 0.042123 -0.011974 -0.046787 -0.020542 6C 1f+3 0.080252 0.000275 -0.051802 0.016104 0.025597 0.013794 6C 1f-3 -0.031288 -0.013841 0.041942 -0.017415 -0.010069 -0.016219 7C 1s -0.008247 -0.010962 -0.003560 -0.010654 -0.000072 -0.000902 7C 2s -0.027218 -0.037733 -0.012800 -0.036113 -0.000435 -0.003296 7C 3s 0.459345 0.998828 0.474775 0.931842 0.323339 0.130546 7C 4s -1.589528 -4.297173 -2.122797 -3.734910 -1.552051 -0.611634 7C 5s -0.040488 -1.336831 -1.043750 -1.972751 -1.048873 -0.048603 7C 1pz 0.038908 -0.160033 -0.053969 -0.219764 -0.139191 0.020787 7C 1px -0.023802 0.069550 0.140587 0.059952 -0.189253 0.068952 7C 1py 0.064363 -0.101284 -0.105218 -0.002135 -0.177260 -0.067065 7C 2pz -1.108910 0.408851 0.455131 1.128594 0.801687 -0.247761 7C 2px 0.330142 -0.834365 -1.032239 -0.657975 2.241612 -0.606243 7C 2py -0.753450 0.030800 0.254121 0.017430 1.477971 0.273463 7C 3pz -1.360001 -2.521767 0.202185 0.452728 0.242118 -0.145866 7C 3px -0.834632 -0.792228 -0.163947 -0.189266 0.763346 -0.188557 7C 3py -1.140794 -1.828539 -0.197997 0.317373 0.519467 -0.233307 7C 1dz2 -0.013801 -0.009604 0.007685 -0.022650 -0.016914 -0.008746 7C 1dxz -0.018907 0.002279 0.022774 -0.011333 0.009590 -0.003883 7C 1dyz -0.042311 -0.005051 -0.005350 -0.020097 0.021577 -0.002180 7C 1dx2y2 -0.000448 0.002746 0.027398 0.005048 0.003612 -0.003337 7C 1dxy 0.006137 -0.020918 -0.017882 0.006434 -0.013262 -0.003858 7C 2dz2 -0.142396 -0.319429 -0.178166 0.016460 0.664553 0.022535 7C 2dxz -0.522175 0.346891 0.516388 0.741940 -0.163391 0.225959 7C 2dyz -0.424880 -0.465985 -0.151505 -0.158576 0.180601 -0.202073 7C 2dx2y2 0.341804 -0.339966 -0.348363 -0.641131 -0.666333 0.214220 7C 2dxy -0.481420 0.143633 0.155923 -0.030875 -0.452334 -0.006203 7C 1f0 -0.014317 -0.016866 0.001629 -0.035471 -0.004823 0.010998 7C 1f+1 0.006618 -0.056196 -0.027143 -0.054108 -0.031930 0.003010 7C 1f-1 -0.018815 -0.079053 -0.027478 -0.053570 -0.049834 0.003888 7C 1f+2 0.013029 0.064739 0.052728 0.046636 0.006061 0.047998 7C 1f-2 -0.034242 -0.026646 -0.008884 -0.042029 0.022956 0.013215 7C 1f+3 -0.011244 0.020982 -0.000084 0.019044 -0.020404 -0.035838 7C 1f-3 -0.018954 -0.008147 -0.001402 -0.029800 -0.046349 0.014193 8C 1s -0.011229 -0.008808 -0.000099 0.000976 -0.001616 -0.002960 8C 2s -0.041106 -0.035827 0.002089 0.004465 -0.008107 -0.010069 8C 3s 0.390918 0.654288 0.091119 -0.261877 0.154743 0.132405 8C 4s -0.661668 -2.566722 -0.838644 1.463407 -0.487119 -0.383095 8C 5s -1.957843 -1.899638 0.114941 0.085872 0.284487 0.026124 8C 1pz -0.022192 -0.019981 -0.174302 0.036964 -0.006817 -0.066245 8C 1px -0.145720 -0.028903 0.007192 0.041108 -0.172225 -0.027512 8C 1py 0.153562 0.109752 -0.181493 0.042005 -0.007089 0.023835 8C 2pz 0.009048 0.695912 0.863611 -0.578440 0.053337 0.187223 8C 2px 0.427974 0.462820 0.118244 -0.396435 0.585524 -0.039322 8C 2py -0.418256 -1.347901 0.116732 0.518681 -0.111955 -0.174920 8C 3pz 0.324213 0.339054 -0.078121 -0.075310 -0.094531 -0.000955 8C 3px 0.264594 0.188017 -0.102319 0.027528 -0.092652 -0.014138 8C 3py -0.579704 -0.671865 -0.093862 0.138354 -0.116936 -0.107960 8C 1dz2 -0.006246 0.005493 -0.012787 0.000523 -0.002896 -0.002858 8C 1dxz 0.026875 -0.005298 0.022203 -0.021379 0.000065 -0.016178 8C 1dyz 0.031224 -0.052872 -0.029782 0.047111 -0.011404 0.006217 8C 1dx2y2 -0.000419 -0.039562 0.011092 0.004223 -0.015279 -0.012592 8C 1dxy -0.010406 -0.008318 0.003755 -0.000569 0.019152 0.003997 8C 2dz2 0.060752 0.147593 -0.109288 -0.051288 0.036026 -0.005984 8C 2dxz -0.006478 -0.212326 -0.138298 0.152750 -0.035210 0.021861 8C 2dyz 0.136528 0.575638 0.142490 -0.336917 0.117644 0.101256 8C 2dx2y2 0.069848 0.436878 0.112971 -0.224040 0.006742 0.108031 8C 2dxy 0.079492 0.389903 0.137291 -0.264617 0.137715 -0.039168 8C 1f0 0.031335 0.004029 -0.066529 0.038641 0.004362 0.011163 8C 1f+1 0.038432 -0.007327 -0.021242 0.006856 0.032734 -0.011635 8C 1f-1 -0.011973 0.008288 0.037674 -0.058136 -0.001228 -0.010675 8C 1f+2 0.057022 -0.023632 -0.051715 0.046909 0.017845 0.001731 8C 1f-2 0.018051 -0.017791 -0.028519 0.036042 -0.017865 0.006566 8C 1f+3 -0.034421 0.030891 -0.031200 0.006619 -0.003246 0.000424 8C 1f-3 -0.039318 0.019537 0.023035 0.000772 -0.017404 0.003133 9C 1s 0.008453 0.013507 0.002151 0.000736 -0.000851 0.001650 9C 2s 0.032821 0.051075 0.010087 0.008540 -0.002643 0.006362 9C 3s -0.573094 -0.653266 -0.154457 -0.153889 0.192293 -0.118876 9C 4s 2.210763 1.863639 0.407691 0.300693 -1.204538 0.463284 9C 5s 1.142210 2.384223 0.047580 -0.074642 -0.243491 0.078960 9C 1pz 0.128882 0.127107 -0.041740 0.081673 -0.035313 -0.008019 9C 1px 0.036129 0.132519 0.086906 0.166042 0.041938 -0.005914 9C 1py -0.038538 0.203630 0.178643 -0.039390 0.070423 0.085446 9C 2pz -1.300058 -0.788795 0.067216 -0.277290 0.705357 -0.171057 9C 2px -0.116482 -0.566924 -0.366317 -0.625557 0.025274 -0.049809 9C 2py -0.404373 -0.957398 -0.602069 0.069265 0.210804 -0.290162 9C 3pz -0.484424 -0.751940 -0.171884 0.001200 0.116743 -0.145655 9C 3px 0.011366 -0.270479 -0.064947 -0.117643 -0.118332 -0.006016 9C 3py -0.323485 -0.452644 0.108695 -0.097358 0.121613 0.053277 9C 1dz2 -0.040867 -0.002567 -0.004924 -0.008910 0.029640 -0.015913 9C 1dxz -0.004965 0.001328 0.012432 -0.008190 -0.013727 -0.005357 9C 1dyz -0.040756 -0.002148 0.006711 -0.004478 0.031950 -0.001266 9C 1dx2y2 -0.005797 0.031809 0.014867 0.005207 0.013573 -0.005789 9C 1dxy 0.026553 -0.017886 -0.019453 0.006712 -0.027622 0.005015 9C 2dz2 0.471215 0.211148 -0.034148 0.081814 -0.229540 0.074834 9C 2dxz 0.101153 0.159413 0.045425 0.053736 -0.155773 0.053713 9C 2dyz 0.526833 0.505955 0.188990 0.140217 -0.291895 0.135555 9C 2dx2y2 -0.163435 -0.106475 -0.011240 0.079364 0.071475 -0.033458 9C 2dxy 0.069960 0.128946 0.045231 0.110306 -0.069114 0.026910 9C 1f0 0.038703 -0.043458 -0.030194 -0.008908 -0.047333 0.007194 9C 1f+1 -0.020794 0.001362 0.006569 -0.040158 0.015583 -0.004385 9C 1f-1 -0.027293 0.054926 0.033161 0.033124 0.050824 0.002138 9C 1f+2 0.007479 0.003614 0.016769 0.011387 -0.008763 0.003429 9C 1f-2 -0.007702 0.005332 -0.002381 0.026552 0.042479 0.000956 9C 1f+3 0.045832 -0.036177 -0.035232 0.005287 -0.026739 0.000781 9C 1f-3 0.008451 -0.030182 -0.026018 -0.049983 -0.024972 0.008160 10H 1s -0.041350 0.037154 -0.038239 -0.049527 -0.039220 0.002068 10H 2s 0.106375 -0.200691 0.246221 0.341570 0.149151 0.011022 10H 3s 0.024187 0.024357 -0.102650 -0.038565 -0.081282 0.045613 10H 1pz 0.048516 0.061105 0.011107 0.123716 -0.005356 0.042415 10H 1px 0.021152 0.026601 -0.001579 0.039240 0.038789 0.024898 10H 1py 0.132649 -0.019721 0.104481 -0.005640 0.082495 -0.020602 11H 1s -0.041347 -0.022401 -0.018021 0.093944 0.037775 -0.018054 11H 2s 0.218914 0.154763 0.045479 -0.513435 -0.104823 -0.002919 11H 3s -0.047614 0.127428 -0.207900 0.053296 -0.046494 0.085019 11H 1pz 0.137229 0.151235 -0.028634 -0.163903 0.052488 -0.032104 11H 1px 0.020537 -0.075574 0.084327 0.038053 0.054134 -0.004184 11H 1py 0.148670 0.021433 0.094806 -0.065364 0.119197 -0.029491 12H 1s 0.134146 -0.161140 0.114457 0.029565 0.149297 0.021874 12H 2s -0.337064 0.579901 -0.520823 -0.141247 -0.369540 0.058670 12H 3s 0.216074 -0.117230 0.210731 -0.111516 0.196578 -0.024876 12H 1pz 0.113544 0.171269 -0.140329 0.001237 0.077506 0.098701 12H 1px -0.025650 -0.012482 -0.013385 0.097034 0.055939 0.017147 12H 1py 0.047673 0.110225 -0.067071 -0.070778 0.009684 0.031615 13H 1s -0.049691 0.032167 0.006716 -0.033170 0.025439 0.030237 13H 2s 0.223786 -0.077841 0.132731 0.087782 -0.265467 -0.064311 13H 3s -0.154298 0.087490 0.008424 -0.022869 0.122342 -0.057271 13H 1pz -0.016956 -0.080439 -0.063131 0.016096 -0.066073 0.008143 13H 1px 0.003317 -0.085014 -0.005621 -0.021374 -0.052646 -0.009685 13H 1py 0.026885 0.068335 -0.181254 0.062136 0.088922 0.056991 14H 1s 0.122596 -0.065829 -0.040744 0.009072 -0.024224 -0.040103 14H 2s -0.364909 0.103488 0.188451 -0.082248 0.262153 0.014201 14H 3s 0.087465 -0.072094 -0.214245 0.074827 -0.080216 -0.058443 14H 1pz -0.085864 -0.086379 -0.041296 -0.039068 0.103335 -0.011190 14H 1px 0.024151 -0.032891 0.064009 -0.023067 -0.003900 0.002920 14H 1py 0.009668 0.183540 -0.178190 0.133217 -0.135936 0.053181 15H 1s 0.134247 -0.029545 0.189701 -0.157403 -0.012300 0.032024 15H 2s -0.426740 -0.017950 -0.810611 0.382407 0.101446 -0.039531 15H 3s 0.089823 -0.075835 0.303650 -0.209235 0.158507 -0.065490 15H 1pz -0.028972 -0.155146 -0.042043 -0.120697 0.023607 0.028764 15H 1px 0.047487 -0.063821 -0.053403 -0.004678 -0.112417 0.013841 15H 1py 0.084274 0.161989 0.095620 0.085008 -0.070255 -0.041774 16H 1s -0.038501 0.048920 0.023161 0.024490 -0.094510 -0.010879 16H 2s 0.075508 -0.107793 -0.046610 -0.130140 0.202480 0.061066 16H 3s 0.058523 -0.037715 0.021472 -0.008225 -0.103075 -0.003785 16H 1pz -0.002080 -0.027466 -0.029481 -0.010762 0.119548 -0.008807 16H 1px 0.013108 -0.013266 -0.122902 -0.119014 0.012533 -0.014149 16H 1py 0.083100 -0.050935 -0.029640 -0.048977 0.048165 0.022793 17H 1s -0.056647 0.029057 0.036581 0.033449 -0.080933 -0.012334 17H 2s 0.097226 -0.070007 -0.120118 -0.070724 0.204047 -0.018869 17H 3s 0.011007 -0.015530 -0.005251 -0.069011 0.016641 -0.012142 17H 1pz -0.090727 0.050842 -0.064246 0.046506 -0.036504 -0.033657 17H 1px 0.005100 -0.009056 0.034582 -0.093577 0.037629 -0.061231 17H 1py 0.051964 -0.017656 -0.063341 -0.081694 0.136799 -0.050816 18H 1s -0.055050 0.030805 -0.037606 -0.034525 0.081534 -0.014933 18H 2s 0.094981 -0.073805 0.125461 0.074536 -0.209127 -0.014116 18H 3s 0.008726 -0.014841 0.007291 0.065476 -0.016342 -0.013788 18H 1pz 0.087430 -0.053216 -0.062022 0.052405 -0.036324 0.034813 18H 1px -0.003191 0.009330 0.033893 -0.093829 0.036918 0.061755 18H 1py -0.050242 0.018823 -0.065429 -0.079626 0.141802 0.047773 19H 1s -0.037152 0.049406 -0.026415 -0.023561 0.095572 -0.013361 19H 2s 0.069771 -0.106825 0.058969 0.127900 -0.204002 0.064508 19H 3s 0.052076 -0.040951 -0.026684 0.011370 0.106220 -0.005769 19H 1pz 0.000688 0.026216 -0.030655 -0.006866 0.120755 0.007114 19H 1px -0.007358 0.013395 -0.124301 -0.115124 0.016009 0.016275 19H 1py -0.078157 0.052556 -0.033124 -0.051697 0.049189 -0.024026 20H 1s 0.130894 -0.030316 -0.187681 0.159592 0.012667 0.031467 20H 2s -0.418574 -0.019857 0.802755 -0.387297 -0.103360 -0.038024 20H 3s 0.080091 -0.084341 -0.299372 0.215633 -0.160491 -0.058734 20H 1pz 0.033212 0.159146 -0.039782 -0.119792 0.022485 -0.027768 20H 1px -0.044819 0.063714 -0.047845 -0.002935 -0.112702 -0.010521 20H 1py -0.088859 -0.167163 0.093846 0.084561 -0.069656 0.042270 21H 1s 0.117433 -0.067111 0.033039 -0.009702 0.023277 -0.040039 21H 2s -0.353126 0.103202 -0.163739 0.085505 -0.263045 0.021083 21H 3s 0.078742 -0.078623 0.207269 -0.075311 0.075214 -0.059624 21H 1pz 0.086586 0.088832 -0.042172 -0.038909 0.103550 0.009319 21H 1px -0.022593 0.033382 0.064597 -0.023509 -0.004989 -0.003585 21H 1py -0.017862 -0.189628 -0.176451 0.134628 -0.136311 -0.047607 22H 1s -0.047996 0.030664 -0.002239 0.031672 -0.023754 0.029740 22H 2s 0.219817 -0.071738 -0.146225 -0.085995 0.262658 -0.066697 22H 3s -0.149363 0.086966 -0.000943 0.021957 -0.121755 -0.055321 22H 1pz 0.019490 0.081594 -0.058899 0.018132 -0.066463 -0.006185 22H 1px 0.000787 0.087140 -0.001745 -0.020527 -0.052393 0.010918 22H 1py -0.030251 -0.070044 -0.179893 0.061377 0.086843 -0.058057 23H 1s 0.136307 -0.159077 -0.110947 -0.029608 -0.148348 0.026662 23H 2s -0.341951 0.573304 0.518650 0.148915 0.371292 0.046001 23H 3s 0.225883 -0.108702 -0.204979 0.119144 -0.199879 -0.023508 23H 1pz -0.126809 -0.174781 -0.146088 -0.003258 0.075301 -0.100375 23H 1px 0.022848 0.010354 -0.015799 0.099011 0.053559 -0.019032 23H 1py -0.050724 -0.110339 -0.069042 -0.071715 0.009945 -0.032359 24H 1s -0.030448 -0.018384 0.021429 -0.095163 -0.037349 -0.016459 24H 2s 0.188595 0.144890 -0.053570 0.517585 0.096568 -0.010991 24H 3s -0.020816 0.135468 0.216396 -0.048951 0.050649 0.080911 24H 1pz -0.146304 -0.153971 -0.031178 -0.165543 0.056557 0.031531 24H 1px -0.019446 0.072310 0.081846 0.038946 0.052728 0.001720 24H 1py -0.160553 -0.025854 0.092058 -0.065660 0.122976 0.026543 25H 1s -0.038232 0.035557 0.035213 0.048737 0.036585 0.001115 25H 2s 0.100018 -0.193196 -0.237565 -0.343030 -0.143194 0.016153 25H 3s 0.019483 0.018655 0.092278 0.040990 0.080443 0.040483 25H 1pz -0.060476 -0.066756 0.009223 0.122464 -0.006931 -0.042513 25H 1px -0.027796 -0.030715 -0.004744 0.038880 0.037196 -0.026149 25H 1py -0.139171 0.016408 0.103591 -0.004304 0.083215 0.018723 26O 1s -0.000457 -0.003731 0.000652 -0.001139 0.003060 -0.000078 26O 2s -0.000049 -0.009944 0.002073 -0.005244 0.002846 -0.000716 26O 3s -0.036527 0.010379 -0.009542 0.067628 0.130529 0.012297 26O 4s 0.284798 0.136266 0.028611 -0.256804 -0.777441 -0.068911 26O 5s -0.616031 -0.357386 -0.043336 -0.590115 -2.863927 -0.144438 26O 1pz -0.000244 -0.030374 0.065042 0.040181 -0.036548 -0.025598 26O 1px -0.002624 0.003138 0.026941 -0.026875 0.056714 -0.021444 26O 1py -0.019499 -0.012324 -0.035083 0.064103 0.016232 0.021593 26O 2pz -0.003627 -0.017490 0.010631 0.077299 0.089127 0.021387 26O 2px -0.175246 -0.073597 -0.063104 0.133761 0.634057 0.049008 26O 2py -0.061461 -0.041812 0.042646 0.060143 0.309660 -0.007634 26O 3pz 0.049830 -0.103078 0.063878 0.222673 0.324070 -0.124615 26O 3px 0.213530 -0.082971 0.153519 0.604064 1.568486 0.022037 26O 3py 0.352614 -0.358473 0.251575 0.477862 0.677199 0.324812 26O 1dz2 -0.000907 -0.002411 0.003149 0.000129 -0.003215 -0.003197 26O 1dxz 0.004475 0.000075 0.005470 0.004525 -0.000491 0.002774 26O 1dyz 0.001649 -0.001906 0.000399 0.001952 -0.001425 0.001403 26O 1dx2y2 -0.002662 0.000985 -0.001503 -0.003533 0.005123 0.002526 26O 1dxy 0.001235 0.002179 -0.000184 -0.000688 0.002737 -0.003418 26O 2dz2 -0.096773 -0.000364 0.017061 -0.029628 0.269385 -0.060441 26O 2dxz -0.035357 -0.135275 0.060339 0.057340 -0.111475 0.166973 26O 2dyz -0.059560 0.004544 -0.078418 -0.101453 -0.096321 0.108402 26O 2dx2y2 0.098396 0.022152 -0.070618 0.018071 -0.116239 0.246678 26O 2dxy -0.046343 0.124321 -0.021801 -0.218907 -0.308776 -0.315680 26O 1f0 0.003965 0.003242 -0.001252 -0.002393 -0.000411 -0.000823 26O 1f+1 0.001977 0.004075 -0.003370 -0.003864 -0.014193 -0.001091 26O 1f-1 0.000120 0.002868 0.000658 0.001421 -0.006167 0.001526 26O 1f+2 0.000382 -0.003073 -0.002195 0.003439 -0.000333 -0.000407 26O 1f-2 -0.005044 -0.002957 -0.001087 0.001254 0.005925 0.000133 26O 1f+3 0.000509 0.001360 0.003076 -0.001593 -0.008462 -0.002849 26O 1f-3 0.002717 0.007812 0.000740 -0.006260 -0.024574 0.000614 27O 1s 0.001400 0.000837 -0.000426 -0.001835 0.002698 0.003674 27O 2s -0.001314 0.005172 -0.004655 -0.002282 0.006666 0.007691 27O 3s 0.133089 -0.073959 0.101137 -0.064792 -0.006452 0.044670 27O 4s -0.677025 0.257843 -0.483075 0.426061 -0.098876 -0.481390 27O 5s -1.631778 2.034366 -1.172295 1.413258 -0.564362 -0.876456 27O 1pz 0.003210 0.027914 0.042979 0.071025 0.006221 -0.035629 27O 1px 0.010440 -0.006572 0.010952 -0.014194 0.004185 0.020659 27O 1py -0.010498 -0.012371 0.025769 -0.000573 0.081950 -0.009477 27O 2pz -0.011508 -0.017327 -0.026235 -0.000358 -0.067488 -0.011214 27O 2px 0.603614 -0.301301 0.348573 -0.370750 0.151808 0.381588 27O 2py -0.161777 0.096700 -0.150830 0.089874 -0.002371 -0.076062 27O 3pz 0.034308 0.085784 0.030360 -0.167257 -0.117326 -0.250819 27O 3px 1.303377 -1.071174 0.848112 -0.808092 -0.027285 0.543664 27O 3py -0.231496 0.025902 -0.235427 0.124486 0.075486 -0.189717 27O 1dz2 -0.000363 0.002717 0.002093 0.002315 -0.000263 -0.001835 27O 1dxz -0.002426 -0.002088 0.002035 0.002452 -0.004553 0.002690 27O 1dyz 0.000996 -0.003700 0.000750 -0.002511 -0.001591 0.000213 27O 1dx2y2 0.004355 -0.005538 0.003276 -0.003426 0.005923 0.005686 27O 1dxy -0.002049 0.004924 -0.001538 -0.000913 0.005945 0.003335 27O 2dz2 0.184414 -0.063266 0.161975 -0.123129 -0.017203 -0.009464 27O 2dxz -0.061784 0.041505 -0.039948 -0.053889 -0.108075 0.362998 27O 2dyz 0.154717 -0.080233 0.083597 0.040998 -0.051209 -0.090339 27O 2dx2y2 -0.262150 0.089537 -0.093355 0.096111 0.026331 -0.089088 27O 2dxy -0.005210 -0.108748 0.038970 -0.130192 0.040212 0.219083 27O 1f0 0.001809 -0.001310 0.001422 -0.003343 0.002922 -0.000371 27O 1f+1 -0.021742 0.009525 -0.012804 0.009521 -0.006000 -0.011957 27O 1f-1 0.005968 -0.001711 0.002502 0.000957 0.005270 0.003921 27O 1f+2 -0.003520 0.005321 -0.004852 0.003455 0.000490 -0.002272 27O 1f-2 -0.003201 0.001780 0.000311 0.003158 -0.000050 -0.002596 27O 1f+3 -0.017208 0.008655 -0.007372 0.011279 -0.001720 -0.008721 27O 1f-3 0.015019 -0.001251 0.006839 -0.007368 0.002587 0.003841 28O 1s 0.003572 -0.003913 0.003074 0.002311 -0.001160 -0.000098 28O 2s 0.009167 -0.006755 0.005031 0.000720 -0.002683 0.000567 28O 3s -0.007478 -0.091213 0.070432 0.134844 -0.002512 -0.024606 28O 4s -0.247080 0.695522 -0.502673 -0.791303 0.026845 0.119864 28O 5s -0.819066 0.845893 -1.619700 -2.087844 0.526536 0.376191 28O 1pz -0.021107 0.003287 0.016957 0.001894 0.002593 -0.020162 28O 1px -0.018623 0.024912 -0.020257 -0.008894 0.008873 0.004623 28O 1py -0.001947 -0.016159 -0.031122 0.018827 0.042230 0.022346 28O 2pz 0.172657 -0.295239 0.270357 0.369427 -0.008976 -0.082310 28O 2px -0.131763 0.413151 -0.348520 -0.491206 0.102277 0.091176 28O 2py 0.046082 -0.012276 0.012417 0.040527 0.006826 0.000238 28O 3pz 0.035110 -1.060719 0.554914 1.129084 0.055595 -0.178695 28O 3px -0.473516 0.526991 -0.671889 -0.924914 0.128787 0.148324 28O 3py -0.414809 -0.185837 0.271443 0.308515 -0.168446 -0.009550 28O 1dz2 -0.000628 0.003265 -0.002235 -0.001404 -0.000735 0.005447 28O 1dxz -0.004711 0.001940 -0.003105 -0.003002 0.000788 0.001150 28O 1dyz -0.002094 0.001521 -0.000212 -0.001738 -0.000213 -0.002781 28O 1dx2y2 0.000775 -0.003645 0.003337 0.003401 -0.003079 0.000071 28O 1dxy -0.006165 -0.000309 -0.000115 0.002044 -0.004041 0.002064 28O 2dz2 -0.077560 0.087930 -0.225390 -0.105129 -0.055763 0.156425 28O 2dxz 0.063387 -0.172430 0.114353 0.169216 -0.068376 -0.128122 28O 2dyz 0.103767 -0.000184 -0.011270 -0.235985 0.006905 -0.130114 28O 2dx2y2 -0.083917 0.151598 -0.113920 -0.033707 -0.046319 -0.025484 28O 2dxy -0.161290 0.068931 -0.029078 0.146589 -0.183627 0.211758 28O 1f0 -0.001465 0.008598 -0.005353 -0.009111 0.001880 -0.004926 28O 1f+1 0.004551 0.014230 -0.011122 -0.015450 0.000539 0.000209 28O 1f-1 0.004872 -0.002269 0.000898 0.002402 0.000392 -0.000837 28O 1f+2 0.001202 -0.020006 0.014213 0.017843 -0.000879 -0.007733 28O 1f-2 0.003153 0.006709 -0.003809 -0.007708 0.001865 0.001884 28O 1f+3 0.002203 -0.006970 0.006567 0.008068 -0.001928 -0.003786 28O 1f-3 0.003045 0.001721 -0.000741 -0.002635 0.000400 0.004154 29O 1s 0.000077 -0.000151 0.001117 0.000661 -0.002200 -0.000209 29O 2s -0.002410 0.001564 0.004548 0.003146 -0.010427 -0.001125 29O 3s 0.069204 -0.051182 -0.047968 -0.040025 0.138463 0.017020 29O 4s -0.350094 0.265163 0.165014 0.163679 -0.536232 -0.068143 29O 5s 0.553524 -0.410989 -0.192794 -0.201778 0.701212 0.087663 29O 1pz 0.016800 0.002019 -0.016400 -0.022198 0.004505 -0.000050 29O 1px -0.025725 0.026951 0.020096 0.051687 -0.058149 0.003836 29O 1py -0.039257 0.027870 0.039711 0.027913 -0.087014 0.005541 29O 2pz -0.024708 -0.020158 0.006166 0.012532 0.065534 -0.010031 29O 2px -0.013035 -0.011181 0.007030 -0.025702 -0.013948 -0.016446 29O 2py 0.082119 -0.055878 -0.057359 -0.028624 0.166490 0.017976 29O 3pz 0.106388 -0.093175 -0.022803 -0.187767 0.002024 0.066184 29O 3px -0.270807 0.233177 0.120487 0.240835 -0.293369 0.022319 29O 3py -0.060267 -0.035136 0.064282 -0.061738 -0.159963 -0.011277 29O 1dz2 0.000229 0.000478 -0.001464 0.001039 0.001565 -0.000164 29O 1dxz 0.000569 0.000395 0.000565 0.001509 0.000985 -0.000621 29O 1dyz -0.000829 0.001127 0.000146 -0.000646 0.001490 -0.001130 29O 1dx2y2 0.000272 0.000444 0.000135 -0.001404 -0.002010 -0.001876 29O 1dxy 0.000469 -0.000930 -0.000198 -0.000248 -0.000711 -0.000001 29O 2dz2 -0.027236 0.009178 0.050017 0.008972 0.001195 -0.015222 29O 2dxz 0.014913 0.015383 -0.028024 0.013107 -0.068988 0.031285 29O 2dyz 0.008102 -0.001420 -0.017451 0.048740 -0.061547 0.014373 29O 2dx2y2 0.004608 -0.020369 0.022066 0.066989 -0.073776 0.041762 29O 2dxy 0.035257 -0.018793 -0.051778 -0.039542 0.047348 0.003204 29O 1f0 0.005222 -0.004954 -0.003151 -0.002428 0.011824 0.001669 29O 1f+1 -0.002482 0.001496 -0.000301 0.000353 -0.003191 -0.001046 29O 1f-1 0.006423 -0.006813 -0.004747 -0.004774 0.014633 0.000882 29O 1f+2 -0.001501 0.001478 0.001480 0.000970 -0.004621 -0.001099 29O 1f-2 0.006818 -0.002263 -0.001714 -0.003464 0.006384 0.002237 29O 1f+3 -0.002937 0.000851 0.001242 0.001174 -0.002176 0.000442 29O 1f-3 -0.003555 0.001767 0.001669 0.001539 -0.002622 -0.001190 30O 1s 0.002889 -0.001832 0.001621 0.000240 -0.004047 -0.001551 30O 2s 0.007296 -0.008004 0.000941 0.001003 -0.007199 -0.002769 30O 3s 0.009971 0.093131 0.086713 -0.014189 -0.070715 -0.030098 30O 4s -0.213741 -0.339097 -0.521871 0.072417 0.548300 0.316882 30O 5s -0.097467 0.051799 -1.369000 0.189218 1.643685 0.221427 30O 1pz 0.002828 0.022387 0.004768 0.053876 0.015236 -0.012120 30O 1px -0.015088 0.014550 -0.011764 0.014943 0.015431 0.004768 30O 1py 0.007708 -0.015384 0.013266 0.038741 -0.011543 -0.036745 30O 2pz 0.072356 0.086635 0.218572 -0.083703 -0.193976 -0.098263 30O 2px -0.117414 -0.201094 -0.259302 -0.001671 0.367894 0.150324 30O 2py -0.052549 -0.092469 -0.218188 0.059956 0.209055 0.106744 30O 3pz 0.058317 0.463530 0.638914 -0.252101 -0.754225 -0.120204 30O 3px -0.086596 0.089448 -0.572538 0.165520 0.544464 0.116403 30O 3py -0.313993 -0.416860 -0.772085 -0.143977 0.561798 -0.010830 30O 1dz2 -0.002820 -0.001741 -0.000739 0.001192 0.002511 0.003655 30O 1dxz -0.000448 0.000557 -0.000441 0.000418 0.002329 0.000386 30O 1dyz 0.002912 -0.000483 0.000705 -0.002089 0.000053 -0.002239 30O 1dx2y2 0.001410 0.004281 0.001568 0.003436 -0.007650 -0.001010 30O 1dxy -0.003515 -0.000207 0.002958 -0.003048 -0.001111 -0.004575 30O 2dz2 0.068236 -0.079871 -0.146908 -0.016719 0.000868 0.213652 30O 2dxz -0.021293 0.143497 0.131137 -0.042596 -0.092316 -0.235518 30O 2dyz 0.022745 0.086211 0.228249 -0.063540 -0.144738 0.003229 30O 2dx2y2 -0.106764 0.057555 -0.033444 0.115770 -0.199891 0.023091 30O 2dxy -0.026736 -0.019695 -0.039760 -0.021370 0.067164 -0.092257 30O 1f0 -0.000625 -0.007504 -0.009823 0.003309 0.009936 0.002935 30O 1f+1 0.002894 -0.003099 -0.002223 -0.000521 0.000767 -0.003386 30O 1f-1 -0.004082 -0.000972 -0.003713 0.004378 0.001975 0.004073 30O 1f+2 0.003834 -0.000310 0.004629 -0.001693 -0.003970 0.002288 30O 1f-2 0.010402 0.011500 0.011759 -0.000072 -0.016280 -0.000809 30O 1f+3 -0.005379 -0.006788 -0.001644 -0.002158 0.006377 -0.001210 30O 1f-3 0.007907 0.004862 0.008118 -0.002163 -0.007492 -0.005422 31O 1s 0.002906 -0.001780 -0.001702 -0.000252 0.003932 -0.001717 31O 2s 0.007325 -0.007924 -0.001124 -0.001016 0.007033 -0.003093 31O 3s 0.010338 0.094597 -0.087369 0.013925 0.067440 -0.032162 31O 4s -0.214854 -0.348363 0.532253 -0.071469 -0.520913 0.334557 31O 5s -0.117533 0.022320 1.387863 -0.178548 -1.608521 0.281595 31O 1pz -0.004007 -0.022722 0.005579 0.053849 0.015610 0.011279 31O 1px 0.013401 -0.014578 -0.013552 0.015509 0.014639 -0.005667 31O 1py -0.006278 0.016881 0.014112 0.038980 -0.010317 0.036079 31O 2pz -0.071724 -0.088928 0.222968 -0.083374 -0.184595 0.105442 31O 2px 0.118775 0.206347 -0.265979 -0.002674 0.353399 -0.162707 31O 2py 0.050387 0.093292 -0.222595 0.058956 0.198050 -0.113625 31O 3pz -0.085312 -0.486892 0.624575 -0.244511 -0.742103 0.145244 31O 3px 0.083458 -0.086932 -0.583697 0.159953 0.526764 -0.136156 31O 3py 0.337963 0.448045 -0.772526 -0.155212 0.559461 -0.003730 31O 1dz2 -0.002940 -0.001850 0.000754 -0.001257 -0.002446 0.003771 31O 1dxz -0.000402 0.000561 0.000625 -0.000403 -0.002223 0.000479 31O 1dyz 0.002914 -0.000477 -0.000766 0.002168 -0.000138 -0.002208 31O 1dx2y2 0.001248 0.004224 -0.001720 -0.003393 0.007432 -0.001204 31O 1dxy -0.003571 -0.000259 -0.003015 0.002967 0.000826 -0.004609 31O 2dz2 0.058822 -0.081747 0.139767 0.014709 0.004960 0.212596 31O 2dxz -0.018292 0.144993 -0.130425 0.042302 0.081861 -0.238309 31O 2dyz 0.029573 0.091505 -0.225303 0.062269 0.143813 -0.002074 31O 2dx2y2 -0.101974 0.062247 0.035748 -0.118944 0.201372 0.017397 31O 2dxy -0.023780 -0.022974 0.045602 0.020569 -0.066513 -0.088898 31O 1f0 0.000604 0.007549 -0.009855 0.003205 0.009467 -0.003285 31O 1f+1 -0.002739 0.003194 -0.002143 -0.000539 0.000865 0.003338 31O 1f-1 0.004035 0.001068 -0.003795 0.004441 0.001866 -0.004193 31O 1f+2 -0.003801 0.000261 0.004631 -0.001716 -0.004064 -0.002150 31O 1f-2 -0.010458 -0.011730 0.011991 0.000014 -0.015935 0.001378 31O 1f+3 0.005619 0.007011 -0.001549 -0.002138 0.006386 0.001019 31O 1f-3 -0.008024 -0.005151 0.008250 -0.002064 -0.007229 0.005689 32O 1s 0.000144 -0.000081 -0.001227 -0.000725 0.002225 -0.000269 32O 2s -0.002171 0.001830 -0.004915 -0.003323 0.010520 -0.001431 32O 3s 0.067308 -0.053614 0.050533 0.040432 -0.139440 0.021416 32O 4s -0.343876 0.272728 -0.169942 -0.161355 0.538304 -0.085752 32O 5s 0.543748 -0.421003 0.190063 0.194387 -0.697159 0.112456 32O 1pz -0.016835 -0.000938 -0.016668 -0.023827 0.005247 0.000314 32O 1px 0.024802 -0.026961 0.020722 0.050844 -0.058321 -0.002528 32O 1py 0.038300 -0.029048 0.041185 0.027586 -0.088321 -0.003026 32O 2pz 0.024890 0.017348 0.004781 0.016334 0.062927 0.010064 32O 2px 0.013350 0.009329 0.007542 -0.024005 -0.015997 0.018107 32O 2py -0.080376 0.058452 -0.059885 -0.028462 0.169328 -0.023151 32O 3pz -0.097744 0.094455 -0.021970 -0.188452 -0.003027 -0.066734 32O 3px 0.259875 -0.237797 0.124091 0.238088 -0.293595 -0.016176 32O 3py 0.055639 0.031431 0.066889 -0.063324 -0.162750 0.016788 32O 1dz2 0.000344 0.000453 0.001437 -0.001112 -0.001495 -0.000037 32O 1dxz 0.000658 0.000331 -0.000696 -0.001460 -0.000977 -0.000497 32O 1dyz -0.000747 0.001118 -0.000143 0.000573 -0.001604 -0.001163 32O 1dx2y2 0.000252 0.000431 -0.000164 0.001408 0.001997 -0.001900 32O 1dxy 0.000559 -0.000879 0.000150 0.000221 0.000776 -0.000065 32O 2dz2 -0.024423 0.008919 -0.052870 -0.005768 -0.000802 -0.015639 32O 2dxz 0.009519 0.015652 0.027183 -0.015464 0.068300 0.029923 32O 2dyz 0.007037 -0.001434 0.013038 -0.050304 0.062901 0.014042 32O 2dx2y2 0.006394 -0.018601 -0.026085 -0.067208 0.075428 0.040558 32O 2dxy 0.029497 -0.019982 0.056385 0.039912 -0.044614 0.004415 32O 1f0 -0.004789 0.004679 -0.003088 -0.002129 0.011079 -0.001915 32O 1f+1 0.002788 -0.001777 -0.000134 0.000573 -0.003750 0.001331 32O 1f-1 -0.006556 0.007093 -0.005225 -0.004735 0.015259 -0.001307 32O 1f+2 0.001858 -0.001798 0.001837 0.001170 -0.005309 0.001327 32O 1f-2 -0.006572 0.002390 -0.001644 -0.003583 0.006273 -0.002484 32O 1f+3 0.002607 -0.000836 0.001157 0.001113 -0.002007 -0.000401 32O 1f-3 0.003493 -0.001778 0.001661 0.001608 -0.002491 0.001272 33O 1s 0.003566 -0.003853 -0.003064 -0.002337 0.001261 -0.000058 33O 2s 0.009018 -0.006630 -0.004875 -0.000764 0.002918 0.000601 33O 3s -0.003877 -0.090753 -0.073646 -0.135584 0.002987 -0.022833 33O 4s -0.264284 0.689095 0.517080 0.794554 -0.037284 0.108776 33O 5s -0.880992 0.838515 1.639919 2.109386 -0.529599 0.344418 33O 1pz 0.024847 -0.001530 0.017834 0.002824 0.003422 0.019168 33O 1px 0.020954 -0.024096 -0.019682 -0.008749 0.009431 -0.004039 33O 1py 0.005269 0.017855 -0.030854 0.018331 0.042031 -0.023960 33O 2pz -0.189378 0.290209 0.275455 0.370682 -0.011076 0.075403 33O 2px 0.146088 -0.408164 -0.356352 -0.495648 0.107264 -0.085894 33O 2py -0.051719 0.011856 0.013362 0.041545 0.006032 -0.001517 33O 3pz -0.019304 1.075375 0.585214 1.146652 0.043370 0.158762 33O 3px 0.509712 -0.520449 -0.687318 -0.935162 0.130478 -0.131893 33O 3py 0.426130 0.195922 0.287499 0.318722 -0.166134 0.010752 33O 1dz2 -0.000771 0.003152 0.002127 0.001352 0.000902 0.005460 33O 1dxz -0.004982 0.001835 0.003264 0.002994 -0.000803 0.001061 33O 1dyz -0.002426 0.001399 0.000162 0.001728 0.000086 -0.002781 33O 1dx2y2 0.001078 -0.003464 -0.003329 -0.003503 0.003233 0.000011 33O 1dxy -0.006148 -0.000225 0.000174 -0.002022 0.004032 0.001939 33O 2dz2 -0.068916 0.089101 0.227738 0.105103 0.060023 0.153495 33O 2dxz 0.069117 -0.173187 -0.119906 -0.172197 0.069151 -0.126794 33O 2dyz 0.100748 0.002847 0.014329 0.238028 -0.007465 -0.134031 33O 2dx2y2 -0.091784 0.149175 0.113542 0.032067 0.045721 -0.030328 33O 2dxy -0.158246 0.069607 0.025321 -0.143243 0.187880 0.207251 33O 1f0 0.001656 -0.008512 -0.005432 -0.009243 0.002318 0.005060 33O 1f+1 -0.004435 -0.014116 -0.011266 -0.015608 0.000700 0.000082 33O 1f-1 -0.005253 0.002199 0.001136 0.002338 0.000318 0.000778 33O 1f+2 -0.001766 0.019910 0.014579 0.018195 -0.000766 0.007398 33O 1f-2 -0.002942 -0.006653 -0.003823 -0.007905 0.001872 -0.001807 33O 1f+3 -0.002812 0.006823 0.006767 0.008180 -0.001957 0.003678 33O 1f-3 -0.003318 -0.001977 -0.000953 -0.002772 0.000257 -0.004124 34O 1s 0.001448 0.000880 0.000493 0.001715 -0.002477 0.003732 34O 2s -0.001203 0.005243 0.004804 0.001915 -0.006249 0.007801 34O 3s 0.132781 -0.073367 -0.100344 0.066720 0.010220 0.045280 34O 4s -0.679262 0.253352 0.470282 -0.427428 0.063567 -0.486645 34O 5s -1.593721 2.043505 1.180762 -1.430117 0.510138 -0.898155 34O 1pz -0.005670 -0.029418 0.042859 0.071030 0.007526 0.034880 34O 1px -0.009778 0.006830 0.011818 -0.013730 0.003335 -0.020733 34O 1py 0.013785 0.015323 0.025072 -0.000457 0.081408 0.006205 34O 2pz 0.012674 0.017335 -0.025328 0.000247 -0.065902 0.013539 34O 2px -0.600624 0.299746 0.341158 -0.374586 0.125316 -0.387870 34O 2py 0.159271 -0.096734 -0.150095 0.091489 0.003544 0.076941 34O 3pz -0.025246 -0.084633 0.039852 -0.166885 -0.112000 0.256464 34O 3px -1.284940 1.070882 0.852470 -0.816523 -0.064330 -0.543987 34O 3py 0.222386 -0.036014 -0.231811 0.128359 0.081590 0.187562 34O 1dz2 -0.000456 0.002696 -0.002075 -0.002257 0.000222 -0.001839 34O 1dxz -0.002391 -0.002039 -0.002104 -0.002478 0.004582 0.002521 34O 1dyz 0.000894 -0.003769 -0.000644 0.002474 0.001635 0.000137 34O 1dx2y2 0.004070 -0.005724 -0.003143 0.003539 -0.005502 0.005882 34O 1dxy -0.002063 0.004820 0.001699 0.000971 -0.005856 0.003506 34O 2dz2 0.184188 -0.061207 -0.163834 0.125027 0.021000 -0.010803 34O 2dxz -0.059060 0.040346 0.043258 0.054303 0.117351 0.356523 34O 2dyz 0.157894 -0.074431 -0.085819 -0.040409 0.045694 -0.091327 34O 2dx2y2 -0.254864 0.090702 0.095436 -0.094379 -0.033310 -0.089505 34O 2dxy -0.003115 -0.108916 -0.036689 0.133836 -0.034374 0.219563 34O 1f0 -0.001795 0.001404 0.001471 -0.003375 0.002936 0.000265 34O 1f+1 0.021358 -0.009519 -0.012781 0.009717 -0.005214 0.012214 34O 1f-1 -0.005896 0.001717 0.002544 0.000859 0.005018 -0.004132 34O 1f+2 0.003382 -0.005411 -0.004848 0.003424 0.000756 0.002275 34O 1f-2 0.003152 -0.001799 0.000414 0.003153 0.000144 0.002602 34O 1f+3 0.017011 -0.008728 -0.007308 0.011360 -0.001213 0.008791 34O 1f-3 -0.015295 0.001046 0.006743 -0.007541 0.002279 -0.003952 35O 1s -0.000692 -0.003849 -0.000756 0.000968 -0.003064 0.000100 35O 2s -0.000660 -0.010184 -0.002534 0.004806 -0.002791 -0.000418 35O 3s -0.034681 0.009359 0.014876 -0.067377 -0.132485 0.016397 35O 4s 0.286464 0.147672 -0.045275 0.266094 0.788968 -0.097634 35O 5s -0.628947 -0.343834 -0.045177 0.593366 2.886946 -0.253508 35O 1pz 0.004742 0.031746 0.066063 0.040981 -0.036805 0.026139 35O 1px 0.000397 -0.004134 0.025732 -0.025747 0.057610 0.018808 35O 1py 0.022609 0.013626 -0.035657 0.064617 0.015331 -0.023234 35O 2pz -0.000773 0.016172 0.006542 0.077740 0.088780 -0.025341 35O 2px 0.175318 0.081356 -0.080961 0.138884 0.642337 -0.071719 35O 2py 0.058124 0.043525 0.034586 0.062867 0.315197 -0.003350 35O 3pz -0.058889 0.100950 0.069471 0.226051 0.328800 0.110526 35O 3px -0.218441 0.092951 0.110223 0.614670 1.582403 -0.086915 35O 3py -0.355495 0.354856 0.230871 0.473881 0.663957 -0.357494 35O 1dz2 -0.001015 -0.002419 -0.003384 -0.000147 0.003137 -0.003299 35O 1dxz 0.004466 0.000228 -0.005403 -0.004513 0.000647 0.002857 35O 1dyz 0.001267 -0.002019 -0.000403 -0.001975 0.001638 0.001401 35O 1dx2y2 -0.002533 0.001005 0.001637 0.003599 -0.005178 0.002633 35O 1dxy 0.001227 0.002130 0.000232 0.000614 -0.002926 -0.003333 35O 2dz2 -0.090523 0.002127 -0.014017 0.026055 -0.273249 -0.051567 35O 2dxz -0.034313 -0.130404 -0.058723 -0.057172 0.118771 0.165734 35O 2dyz -0.053126 0.009208 0.075651 0.100915 0.098949 0.104615 35O 2dx2y2 0.089580 0.022486 0.067804 -0.008557 0.127934 0.240266 35O 2dxy -0.043633 0.122894 0.008709 0.213953 0.297584 -0.330270 35O 1f0 -0.004097 -0.003379 -0.001243 -0.002351 -0.000479 0.000881 35O 1f+1 -0.001707 -0.004100 -0.003021 -0.003991 -0.014449 0.001638 35O 1f-1 -0.000194 -0.003021 0.000808 0.001400 -0.006329 -0.001324 35O 1f+2 0.000087 0.003306 -0.002202 0.003450 -0.000476 0.000370 35O 1f-2 0.005128 0.003129 -0.001289 0.001367 0.006072 -0.000316 35O 1f+3 -0.000117 -0.001305 0.003340 -0.001659 -0.008440 0.003183 35O 1f-3 -0.002696 -0.008015 0.001573 -0.006499 -0.024810 0.000270 372 373 374 375 376 377 1.96419 1.97250 1.98312 1.98378 1.98909 2.00563 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s -0.000183 0.000319 -0.000142 0.000053 -0.000086 -0.000056 0Rh 2s 0.000601 -0.001293 0.000365 -0.000200 0.000322 0.000332 0Rh 3s -0.000708 0.001086 -0.000614 0.000191 -0.000310 -0.000129 0Rh 4s -0.002856 0.006310 -0.001787 0.000965 -0.001607 -0.001688 0Rh 5s 0.000924 -0.005875 0.000605 -0.000547 0.001843 0.003124 0Rh 6s 0.016926 -0.020107 0.008539 -0.005118 0.002062 -0.003200 0Rh 7s -0.161358 0.155887 -0.019667 -0.019777 -0.024467 0.019723 0Rh 8s 0.077050 0.052199 0.002670 -0.034582 0.064509 0.050216 0Rh 1pz -0.017757 -0.001538 0.011942 -0.015100 0.002721 0.001312 0Rh 1px 0.004282 0.000134 0.004150 -0.005666 -0.000838 -0.001579 0Rh 1py 0.011144 -0.016366 -0.003513 0.000587 0.008184 0.005825 0Rh 2pz 0.061131 0.005499 -0.041378 0.053285 -0.008947 -0.004649 0Rh 2px -0.015585 -0.000117 -0.014217 0.019876 0.003101 0.005436 0Rh 2py -0.038400 0.057607 0.011703 -0.002374 -0.028330 -0.020151 0Rh 3pz -0.018430 -0.006762 0.017666 -0.045557 -0.005664 0.003490 0Rh 3px 0.022134 -0.006971 0.002736 -0.014301 -0.005129 -0.001584 0Rh 3py 0.012507 -0.046475 0.004385 0.008699 0.010831 0.007333 0Rh 4pz -0.312641 -0.002024 0.191945 -0.138235 0.075750 0.019648 0Rh 4px 0.012557 0.026755 0.079037 -0.064109 -0.001107 -0.027756 0Rh 4py 0.191632 -0.160246 -0.088856 -0.023457 0.141229 0.101473 0Rh 5pz 0.514854 -0.022109 -0.312482 0.141516 -0.115114 -0.044525 0Rh 5px -0.032496 -0.040974 -0.129887 0.085460 0.005077 0.043593 0Rh 5py -0.310323 0.171262 0.137370 0.059331 -0.248251 -0.173699 0Rh 6pz -1.125513 0.292314 0.474950 0.711405 0.256327 0.226171 0Rh 6px 0.386789 0.087820 0.222107 0.179092 0.078158 -0.014732 0Rh 6py 0.610582 0.691172 -0.240683 -0.463412 0.559988 0.297860 0Rh 1dz2 0.007241 0.004417 -0.000269 0.011213 -0.004977 0.009136 0Rh 1dxz 0.004363 -0.007692 -0.004837 -0.018223 -0.001664 0.005263 0Rh 1dyz -0.003959 0.006085 -0.001241 -0.004192 0.005827 0.000160 0Rh 1dx2y2 0.016101 0.009677 -0.004451 -0.009015 -0.001282 0.007189 0Rh 1dxy -0.002328 -0.019633 -0.001356 0.002884 -0.004712 -0.002248 0Rh 2dz2 -0.000768 -0.000959 0.002754 -0.002774 -0.000490 -0.005942 0Rh 2dxz 0.000939 0.001518 -0.000281 0.003377 0.000281 -0.000347 0Rh 2dyz 0.004267 -0.001218 0.004049 0.001999 -0.004891 -0.009473 0Rh 2dx2y2 -0.002640 -0.001223 0.000689 0.001503 -0.000298 -0.002551 0Rh 2dxy 0.000012 0.004476 0.002084 -0.000710 -0.001752 -0.004136 0Rh 3dz2 -0.015214 -0.007127 -0.011546 -0.016560 0.014965 0.002889 0Rh 3dxz -0.015505 0.012968 0.013647 0.031805 0.003041 -0.011965 0Rh 3dyz -0.008762 -0.010165 -0.014931 0.001953 0.006871 0.041977 0Rh 3dx2y2 -0.029125 -0.019169 0.008308 0.016437 0.004675 -0.007114 0Rh 3dxy 0.005987 0.030574 -0.005907 -0.004352 0.019940 0.024270 0Rh 4dz2 -0.012013 -0.013888 0.042115 -0.040454 -0.006908 -0.089554 0Rh 4dxz 0.017728 0.022533 -0.004517 0.050904 0.004005 -0.007261 0Rh 4dyz 0.062276 -0.019289 0.062875 0.029169 -0.074892 -0.146206 0Rh 4dx2y2 -0.045514 -0.020643 0.011115 0.023058 -0.004675 -0.039848 0Rh 4dxy -0.002409 0.066352 0.033528 -0.008785 -0.027732 -0.063796 0Rh 5dz2 0.076171 0.048624 -0.175479 0.129159 0.025970 0.338673 0Rh 5dxz -0.109416 -0.056653 0.032997 -0.149053 -0.005371 0.049658 0Rh 5dyz -0.188517 0.080914 -0.264199 -0.097524 0.292122 0.591114 0Rh 5dx2y2 0.185198 0.062429 -0.046300 -0.075910 0.013492 0.160944 0Rh 5dxy 0.050370 -0.207120 -0.151858 0.008496 0.131657 0.262494 0Rh 1f0 0.103164 -0.125689 -0.057594 0.108332 0.090068 -0.117724 0Rh 1f+1 0.029162 0.004814 -0.099474 0.020657 0.082922 0.006739 0Rh 1f-1 0.013120 -0.215622 0.123248 -0.132296 0.026544 0.006010 0Rh 1f+2 0.101575 -0.040556 -0.048588 0.214839 0.002378 0.001079 0Rh 1f-2 -0.016788 -0.134302 -0.063642 -0.010971 0.074884 0.175151 0Rh 1f+3 -0.107469 0.073690 0.081421 -0.077407 0.048932 -0.046371 0Rh 1f-3 -0.008980 0.073050 -0.032992 -0.000927 -0.110852 -0.139378 1Rh 1s 0.000178 0.000297 0.000121 0.000056 0.000064 0.000068 1Rh 2s -0.000564 -0.001193 -0.000286 -0.000131 -0.000205 -0.000375 1Rh 3s 0.000700 0.001019 0.000535 0.000251 0.000253 0.000173 1Rh 4s 0.002669 0.005815 0.001406 0.000609 0.001024 0.001899 1Rh 5s -0.000557 -0.005267 -0.000340 0.000423 -0.001010 -0.003300 1Rh 6s -0.017347 -0.019374 -0.006906 -0.006740 -0.001685 0.002490 1Rh 7s 0.164224 0.151215 0.023443 -0.013868 0.019129 -0.019714 1Rh 8s -0.081830 0.051502 0.003942 -0.036987 -0.064269 -0.045528 1Rh 1pz -0.018137 0.001844 0.008307 0.017244 0.002599 0.000978 1Rh 1px 0.004178 -0.000145 0.002744 0.006809 -0.000794 -0.001457 1Rh 1py 0.010873 0.016510 -0.003524 -0.001061 0.008235 0.005932 1Rh 2pz 0.062456 -0.006551 -0.028556 -0.060676 -0.008517 -0.003486 1Rh 2px -0.015225 0.000162 -0.009293 -0.023807 0.002952 0.005005 1Rh 2py -0.037454 -0.058097 0.011682 0.003912 -0.028507 -0.020524 1Rh 3pz -0.019246 0.007070 0.006835 0.047902 -0.006001 0.002923 1Rh 3px 0.022010 0.006800 -0.000595 0.015397 -0.005145 -0.001306 1Rh 3py 0.011949 0.046537 0.005685 -0.007253 0.010912 0.007602 1Rh 4pz -0.317500 0.007464 0.158117 0.176132 0.074366 0.014446 1Rh 4px 0.010828 -0.026358 0.062182 0.084802 -0.000005 -0.025987 1Rh 4py 0.188035 0.163065 -0.094539 0.008511 0.142013 0.102713 1Rh 5pz 0.521651 0.013155 -0.277307 -0.205134 -0.112929 -0.035719 1Rh 5px -0.030043 0.040335 -0.106468 -0.120353 0.002713 0.040059 1Rh 5py -0.305209 -0.175910 0.150261 -0.036486 -0.249515 -0.175332 1Rh 6pz -1.127128 -0.279281 0.638309 -0.589732 0.262498 0.216318 1Rh 6px 0.389179 -0.091658 0.253809 -0.099777 0.086738 -0.009196 1Rh 6py 0.604559 -0.678268 -0.330594 0.424876 0.569047 0.283956 1Rh 1dz2 -0.007372 0.004228 -0.002418 0.011023 0.004871 -0.009240 1Rh 1dxz -0.004112 -0.007372 0.009029 -0.016535 0.001654 -0.005356 1Rh 1dyz 0.003896 0.006203 0.002083 -0.003718 -0.005852 -0.000094 1Rh 1dx2y2 -0.016061 0.009768 0.006299 -0.008221 0.001269 -0.007004 1Rh 1dxy 0.002279 -0.019582 0.001162 0.003025 0.004797 0.002101 1Rh 2dz2 0.000800 -0.001027 -0.002033 -0.003337 0.000544 0.005931 1Rh 2dxz -0.000983 0.001520 -0.000535 0.003309 -0.000286 0.000349 1Rh 2dyz -0.004257 -0.001428 -0.004376 0.001002 0.004909 0.009442 1Rh 2dx2y2 0.002625 -0.001274 -0.001017 0.001389 0.000310 0.002517 1Rh 2dxy 0.000006 0.004399 -0.001973 -0.001120 0.001726 0.004180 1Rh 3dz2 0.015407 -0.006344 0.015257 -0.013561 -0.014928 -0.002579 1Rh 3dxz 0.015061 0.012143 -0.020791 0.027781 -0.002997 0.012195 1Rh 3dyz 0.008872 -0.009533 0.014204 0.005195 -0.006887 -0.042010 1Rh 3dx2y2 0.029089 -0.019167 -0.011592 0.014906 -0.004687 0.006791 1Rh 3dxy -0.005943 0.030788 0.005932 -0.002868 -0.020041 -0.024078 1Rh 4dz2 0.012495 -0.014834 -0.031523 -0.049208 0.007619 0.089465 1Rh 4dxz -0.018459 0.022512 -0.007725 0.049868 -0.004033 0.007268 1Rh 4dyz -0.062079 -0.022484 -0.067568 0.013707 0.075081 0.145793 1Rh 4dx2y2 0.045284 -0.021483 -0.016106 0.021359 0.004799 0.039358 1Rh 4dxy 0.002657 0.065197 -0.032271 -0.015356 0.027339 0.064412 1Rh 5dz2 -0.077291 0.051658 0.140842 0.167013 -0.027230 -0.338824 1Rh 5dxz 0.112387 -0.056356 0.002955 -0.149685 0.005137 -0.048879 1Rh 5dyz 0.187918 0.093010 0.278734 -0.032929 -0.290927 -0.590873 1Rh 5dx2y2 -0.184672 0.065819 0.062517 -0.069479 -0.013828 -0.160107 1Rh 5dxy -0.051303 -0.203330 0.151901 0.038309 -0.129844 -0.265274 1Rh 1f0 0.103890 0.126401 -0.032645 -0.117047 0.091428 -0.116792 1Rh 1f+1 0.027678 -0.005844 -0.091053 -0.042931 0.081752 0.005004 1Rh 1f-1 0.008654 0.220369 0.086083 0.158509 0.026647 0.005382 1Rh 1f+2 0.104695 0.040529 -0.000265 -0.220370 0.002061 0.001500 1Rh 1f-2 -0.019857 0.132900 -0.066848 -0.003236 0.073955 0.176135 1Rh 1f+3 -0.107626 -0.071890 0.061973 0.092653 0.047370 -0.048245 1Rh 1f-3 -0.010478 -0.072388 -0.030278 -0.008286 -0.108738 -0.142114 2C 1s -0.000513 0.001004 0.000215 -0.000659 -0.001772 -0.000708 2C 2s -0.001239 0.004586 0.000873 -0.001745 -0.007184 -0.001168 2C 3s 0.147184 -0.073787 0.009451 -0.002171 0.090039 -0.093804 2C 4s -0.907314 0.253621 -0.054962 0.091601 -0.159135 0.615098 2C 5s -0.132001 0.390508 0.769134 0.073973 0.564765 1.116318 2C 1pz -0.069822 -0.105141 -0.038935 0.017819 0.043787 -0.040831 2C 1px 0.039092 0.015707 0.062492 0.028539 -0.045264 -0.080243 2C 1py 0.134770 0.084272 -0.012963 -0.038175 0.049199 0.023846 2C 2pz -0.201246 0.347686 0.124856 -0.062625 -0.133774 0.521620 2C 2px -0.131815 0.206127 -0.192552 0.116717 0.041440 0.208418 2C 2py -0.680339 -0.145827 0.089673 0.275565 0.002715 0.105277 2C 3pz -0.205500 -0.011942 0.104815 0.057460 0.061604 0.244740 2C 3px 0.093310 0.059974 0.048143 -0.017421 -0.086501 -0.019261 2C 3py 0.057620 0.184942 0.114410 -0.081075 0.083616 0.222778 2C 1dz2 0.011292 0.006727 0.016561 0.019910 0.013571 -0.023845 2C 1dxz -0.027592 -0.024783 0.013264 -0.015675 0.018761 0.000884 2C 1dyz 0.018994 -0.001625 0.004751 -0.002159 -0.013658 -0.013597 2C 1dx2y2 -0.019630 -0.007954 0.003787 0.014913 0.023476 -0.016945 2C 1dxy 0.011729 -0.001130 -0.008262 -0.032313 -0.012819 0.028261 2C 2dz2 -0.083958 0.042343 0.005065 -0.122572 -0.082451 0.199703 2C 2dxz -0.071111 0.195645 -0.072656 0.145187 0.006708 0.147439 2C 2dyz -0.284496 0.035186 0.011305 0.078367 -0.020786 0.131780 2C 2dx2y2 0.131261 0.037300 -0.006868 -0.060486 -0.063157 -0.021119 2C 2dxy -0.069531 0.122276 -0.032771 0.119135 0.020135 0.030287 2C 1f0 -0.047700 -0.024628 0.014353 0.026378 0.023094 -0.036774 2C 1f+1 0.019077 0.023393 -0.010819 -0.007427 -0.021886 0.014622 2C 1f-1 -0.011788 0.002160 0.003441 -0.004162 0.009320 0.028452 2C 1f+2 0.005619 0.003813 0.020657 -0.000828 0.003471 -0.001839 2C 1f-2 -0.048564 -0.005569 0.002866 0.012148 0.022105 -0.001986 2C 1f+3 -0.013907 -0.006380 0.025865 0.018243 0.008686 -0.022116 2C 1f-3 0.025751 0.010529 -0.013731 0.002093 -0.002179 -0.002186 3C 1s 0.000305 -0.000693 -0.001845 -0.000247 0.000048 -0.000895 3C 2s 0.003183 -0.003124 -0.007856 -0.000168 -0.001304 -0.002229 3C 3s 0.006329 0.090538 0.125103 -0.043466 0.081781 0.091518 3C 4s -0.348248 -0.429700 -0.315390 0.285108 -0.442930 -0.465852 3C 5s -0.379872 -0.047034 0.657611 0.141711 -1.225151 -0.062880 3C 1pz 0.030948 0.100242 0.125623 0.027413 0.034875 -0.047442 3C 1px -0.163153 0.020024 0.014375 0.100771 0.081452 0.042237 3C 1py -0.029556 0.041416 -0.009654 0.061419 -0.010291 -0.060394 3C 2pz -0.234199 -0.330542 -0.233861 -0.070887 -0.292472 0.063833 3C 2px 0.361165 -0.317083 -0.078529 -0.042096 -0.287336 -0.045235 3C 2py 0.333783 0.032056 0.098671 -0.331438 0.289954 0.356117 3C 3pz -0.137856 0.071295 0.184702 0.080557 -0.137436 -0.101326 3C 3px 0.008529 0.079865 -0.007121 0.076363 -0.035596 0.015764 3C 3py 0.006547 0.161715 0.014158 0.014868 0.296390 0.026519 3C 1dz2 0.012597 -0.014523 -0.016110 0.002145 0.001312 0.005359 3C 1dxz -0.047591 0.022801 -0.004903 0.009754 0.006038 -0.036921 3C 1dyz -0.017618 0.003383 0.017023 -0.001185 -0.011079 -0.004300 3C 1dx2y2 -0.018836 0.009813 -0.005598 0.007249 0.008806 -0.028108 3C 1dxy 0.003120 -0.022445 -0.006194 0.023832 0.010776 -0.000222 3C 2dz2 0.007797 0.022092 0.022834 -0.117593 0.019293 0.085864 3C 2dxz 0.013726 -0.149604 0.000664 0.045281 -0.086670 0.002277 3C 2dyz 0.079469 0.069834 0.096645 -0.001715 0.115425 0.033934 3C 2dx2y2 0.136820 -0.038557 0.031653 -0.058018 0.060777 0.172964 3C 2dxy 0.040671 0.222649 0.034873 -0.167952 0.091214 0.065445 3C 1f0 0.000312 0.012558 -0.010045 0.014165 0.027947 -0.025913 3C 1f+1 0.050402 -0.001901 0.000804 -0.007634 0.002812 0.013728 3C 1f-1 0.016426 -0.012919 0.005780 -0.010578 -0.013142 0.013215 3C 1f+2 0.029835 0.002183 -0.016646 -0.005795 -0.000162 0.022536 3C 1f-2 -0.005622 0.007883 0.002528 -0.002695 -0.003455 -0.003900 3C 1f+3 -0.052124 0.012674 0.004137 0.033868 0.005096 -0.034684 3C 1f-3 -0.067091 0.001700 0.010719 0.021386 0.008419 -0.021126 4C 1s -0.002093 -0.000992 0.003823 -0.000501 0.001996 -0.001220 4C 2s -0.006387 -0.003028 0.010937 -0.001557 0.007918 -0.004656 4C 3s 0.175859 0.061951 -0.256537 -0.050509 -0.367948 -0.156103 4C 4s -0.606773 -0.309919 1.183106 0.338884 1.713898 1.106659 4C 5s -0.422634 -0.150880 0.005054 0.082853 0.543100 0.049029 4C 1pz 0.097687 0.097251 -0.049664 0.034364 -0.004744 0.005088 4C 1px 0.142220 -0.223889 0.111527 -0.190394 -0.034999 -0.193171 4C 1py 0.057427 -0.108432 -0.017607 -0.047345 -0.133248 -0.078854 4C 2pz -0.875374 -0.730700 0.376613 -0.376454 0.124663 0.728500 4C 2px -0.818699 2.427321 -0.432649 1.867260 -0.171938 0.648742 4C 2py -0.482110 0.763092 0.182785 0.553321 0.765025 0.614084 4C 3pz -0.249624 0.313703 0.582015 -0.076196 0.384226 0.864270 4C 3px -0.414037 0.403171 0.141864 0.189406 -0.062773 0.141975 4C 3py -0.160248 0.240296 0.266109 0.045741 0.226625 0.557112 4C 1dz2 0.039319 0.002310 0.004012 -0.007594 0.001614 -0.015015 4C 1dxz -0.009823 -0.001896 -0.008529 0.018503 0.023545 0.018308 4C 1dyz -0.017504 -0.006894 0.022484 0.003205 -0.004162 -0.013023 4C 1dx2y2 0.004363 -0.007044 -0.015139 0.013020 0.021317 -0.006532 4C 1dxy 0.013757 0.020827 -0.017250 -0.011912 0.000066 0.041008 4C 2dz2 0.330823 -0.545058 0.033963 -0.671918 -0.407415 -0.147653 4C 2dxz 0.097828 0.983027 -0.365061 0.699006 -0.344464 0.022189 4C 2dyz 0.176371 -0.091653 -0.001729 0.015340 0.208865 -0.186127 4C 2dx2y2 -0.317112 0.141991 0.029032 0.044833 0.029383 0.451853 4C 2dxy -0.181307 0.722345 -0.049957 0.654227 0.203997 0.144405 4C 1f0 0.017111 0.015928 0.005181 0.027754 0.018241 -0.019367 4C 1f+1 0.004051 0.010668 -0.000762 -0.020378 -0.013086 -0.005747 4C 1f-1 0.014312 0.003395 -0.002224 -0.015698 -0.014233 -0.002048 4C 1f+2 -0.008461 -0.016349 0.017368 -0.011815 0.077174 0.013376 4C 1f-2 0.002993 0.009860 -0.001231 0.014274 0.019369 -0.003094 4C 1f+3 -0.012161 -0.043008 -0.017224 -0.008933 -0.031136 0.028122 4C 1f-3 0.021255 -0.028259 -0.009723 -0.018142 0.009040 0.005015 5C 1s -0.008481 0.000834 0.001708 0.000759 0.000042 0.000134 5C 2s -0.027710 0.003260 0.007706 0.002896 0.001951 0.000332 5C 3s 0.672568 -0.077256 -0.445724 -0.080925 0.142281 0.025834 5C 4s -2.644465 0.331864 2.122867 0.308154 -1.002745 -0.041696 5C 5s -1.152566 -0.071815 0.692612 0.152394 0.215225 -0.076094 5C 1pz 0.050200 -0.117332 -0.118763 0.033410 0.006616 -0.054782 5C 1px 0.166993 0.165149 -0.106403 -0.288264 0.088434 0.192774 5C 1py -0.144580 -0.024987 0.001451 -0.019517 -0.026842 -0.000227 5C 2pz -0.050497 0.723134 0.791044 -0.530972 -0.393188 0.070690 5C 2px -2.045388 -1.764138 0.305401 2.713254 -0.299603 -0.496465 5C 2py 0.773455 0.107147 -0.021057 0.126469 0.653817 0.391823 5C 3pz -0.155894 -0.104481 0.271395 -0.067273 -0.460510 -0.041769 5C 3px -0.704658 -0.276917 0.074743 0.481699 -0.285321 -0.058421 5C 3py 0.366846 0.073670 -0.446319 -0.088626 0.906117 0.238840 5C 1dz2 0.022207 -0.010167 -0.023498 -0.012162 -0.011748 0.013575 5C 1dxz -0.027750 0.007814 -0.003413 0.020332 -0.007377 -0.041622 5C 1dyz 0.008268 -0.009878 0.012214 0.003710 0.002313 -0.005491 5C 1dx2y2 0.013340 -0.008722 -0.001287 0.014976 -0.007300 -0.029569 5C 1dxy -0.022784 0.013260 -0.011331 0.010648 0.024280 0.016653 5C 2dz2 0.361081 0.262209 -0.000841 -0.423491 0.044560 0.251147 5C 2dxz 0.341793 -0.295909 -0.044755 0.271824 0.116056 0.238729 5C 2dyz -0.096419 -0.483945 -0.332510 0.490342 -0.050541 -0.181826 5C 2dx2y2 -0.686201 -0.552079 0.474584 0.610410 -0.292405 -0.015204 5C 2dxy 0.231516 0.748128 0.087062 -0.884369 -0.081664 0.080262 5C 1f0 -0.018666 0.006658 0.017592 0.030697 0.009761 0.027435 5C 1f+1 0.027901 0.003701 0.007730 -0.023836 -0.001925 -0.006297 5C 1f-1 -0.010167 0.014009 0.065008 0.005646 -0.006748 0.020237 5C 1f+2 -0.025597 -0.001306 -0.001268 -0.020803 -0.003806 -0.027581 5C 1f-2 0.001413 0.039065 0.060099 -0.015072 -0.014621 -0.004065 5C 1f+3 0.065196 0.039713 -0.011920 -0.016966 -0.005488 -0.005634 5C 1f-3 -0.033439 0.008127 0.031134 0.002302 -0.008586 -0.006890 6C 1s 0.008338 0.000970 -0.001854 0.000437 0.000001 -0.000154 6C 2s 0.027249 0.003676 -0.008211 0.001339 -0.001813 -0.000337 6C 3s -0.669000 -0.080605 0.453485 0.014066 -0.140121 -0.031682 6C 4s 2.640046 0.337625 -2.141526 -0.148857 0.984826 0.075703 6C 5s 1.155235 -0.068992 -0.708458 0.005523 -0.220690 0.069181 6C 1pz 0.051511 0.118361 -0.110304 -0.057911 0.006229 -0.051714 6C 1px 0.166438 -0.170113 -0.167483 0.261304 0.088926 0.191790 6C 1py -0.144577 0.022790 -0.003177 0.016283 -0.028482 0.000843 6C 2pz -0.060957 -0.721950 0.664805 0.691370 -0.391553 0.053587 6C 2px -2.035454 1.781620 0.902068 -2.619975 -0.300572 -0.483866 6C 2py 0.782103 -0.100622 0.003503 -0.102642 0.658673 0.392978 6C 3pz -0.156705 0.111362 0.249750 0.127559 -0.459663 -0.046369 6C 3px -0.700519 0.284379 0.181874 -0.468896 -0.287706 -0.051593 6C 3py 0.367591 -0.080269 -0.459066 -0.005437 0.903199 0.249872 6C 1dz2 -0.021747 -0.009266 0.025595 -0.006271 0.011766 -0.013502 6C 1dxz 0.027073 0.007629 -0.001179 0.020882 0.007077 0.041142 6C 1dyz -0.008017 -0.010325 -0.012661 0.000782 -0.002034 0.005471 6C 1dx2y2 -0.013286 -0.008937 -0.001920 0.015277 0.007441 0.029772 6C 1dxy 0.022446 0.013817 0.008345 0.013212 -0.024262 -0.016490 6C 2dz2 -0.365524 0.260994 0.094964 -0.422817 -0.040848 -0.257275 6C 2dxz -0.340777 -0.296628 -0.017296 0.270368 -0.117423 -0.236069 6C 2dyz 0.098801 -0.482811 0.216349 0.562086 0.052169 0.177522 6C 2dx2y2 0.686671 -0.555431 -0.599986 0.503528 0.293444 0.015312 6C 2dxy -0.228384 0.754001 0.104650 -0.886541 0.086433 -0.077568 6C 1f0 -0.018589 -0.006948 0.024516 -0.026294 0.009774 0.027102 6C 1f+1 0.027864 -0.003125 0.001622 0.025596 -0.001967 -0.005815 6C 1f-1 -0.010127 -0.013344 0.065015 0.009016 -0.006624 0.019574 6C 1f+2 -0.025448 0.001141 -0.006374 0.019608 -0.004108 -0.027386 6C 1f-2 0.000965 -0.038902 0.055876 0.028518 -0.014252 -0.005033 6C 1f+3 0.065034 -0.039359 -0.014568 0.014666 -0.005539 -0.006137 6C 1f-3 -0.033543 -0.007808 0.031062 0.004170 -0.008314 -0.007158 7C 1s 0.002095 -0.001124 -0.003610 -0.001555 -0.002012 0.001313 7C 2s 0.006423 -0.003489 -0.010300 -0.004679 -0.007888 0.004985 7C 3s -0.179545 0.075185 0.260748 0.021716 0.357963 0.155109 7C 4s 0.625362 -0.369238 -1.226174 0.013743 -1.657159 -1.111198 7C 5s 0.433118 -0.166744 -0.029179 0.062583 -0.537162 -0.049386 7C 1pz 0.100225 -0.097400 -0.036941 -0.046093 -0.004022 0.002251 7C 1px 0.140286 0.226937 0.059698 0.212514 -0.036595 -0.191429 7C 1py 0.059445 0.107518 -0.030355 0.040689 -0.133004 -0.077483 7C 2pz -0.890700 0.721738 0.256780 0.455867 0.122115 0.748049 7C 2px -0.797120 -2.424991 0.062192 -1.947633 -0.148288 0.629050 7C 2py -0.491830 -0.756368 0.320777 -0.499932 0.772482 0.609877 7C 3pz -0.248331 -0.295344 0.543038 0.208071 0.385692 0.863673 7C 3px -0.419793 -0.397056 0.191430 -0.162999 -0.050033 0.132641 7C 3py -0.163007 -0.228501 0.268876 0.014070 0.233768 0.559715 7C 1dz2 -0.039411 0.001484 -0.002084 -0.008707 -0.001985 0.015155 7C 1dxz 0.009660 -0.001552 0.003982 0.019842 -0.023800 -0.018481 7C 1dyz 0.017371 -0.007439 -0.022647 -0.001734 0.003876 0.013062 7C 1dx2y2 -0.003929 -0.006854 0.011926 0.016032 -0.021301 0.006471 7C 1dxy -0.013969 0.020907 0.019117 -0.008169 0.000168 -0.040479 7C 2dz2 -0.321606 -0.542660 0.130449 -0.666144 0.416533 0.145192 7C 2dxz -0.119644 0.987578 0.175402 0.772863 0.345125 -0.017745 7C 2dyz -0.175782 -0.101024 -0.000560 0.009735 -0.199013 0.189580 7C 2dx2y2 0.316923 0.137023 -0.041120 0.031113 -0.024617 -0.454550 7C 2dxy 0.171791 0.723168 -0.114104 0.654828 -0.203008 -0.145876 7C 1f0 0.017144 -0.015233 0.011845 -0.025880 0.018676 -0.020246 7C 1f+1 0.003565 -0.010997 -0.005232 0.019274 -0.012398 -0.006079 7C 1f-1 0.014697 -0.004247 -0.005545 0.014134 -0.013062 -0.002381 7C 1f+2 -0.009180 0.017100 0.013920 0.016568 0.076323 0.013177 7C 1f-2 0.003039 -0.009658 0.002537 -0.014850 0.019912 -0.003815 7C 1f+3 -0.012039 0.042304 -0.019682 0.004878 -0.031281 0.028618 7C 1f-3 0.021192 0.027745 -0.014212 0.015908 0.008593 0.004891 8C 1s -0.000295 -0.000718 0.001844 0.000146 -0.000086 0.000844 8C 2s -0.003130 -0.003221 0.007657 0.001519 0.001197 0.002069 8C 3s -0.008201 0.091544 -0.110710 -0.073313 -0.082649 -0.088864 8C 4s 0.357228 -0.431266 0.236081 0.371202 0.452328 0.455686 8C 5s 0.378232 -0.056779 -0.675589 0.000560 1.225561 0.082567 8C 1pz 0.027733 -0.098471 0.129877 0.000877 0.036165 -0.052389 8C 1px -0.160042 -0.022071 0.036409 -0.094413 0.080689 0.045471 8C 1py -0.030138 -0.040376 0.006221 -0.062729 -0.009104 -0.061263 8C 2pz -0.226091 0.326791 -0.244825 0.012330 -0.300202 0.078918 8C 2px 0.351009 0.320817 -0.085991 0.015807 -0.286167 -0.053593 8C 2py 0.340375 -0.034610 0.013551 0.360370 0.291977 0.356235 8C 3pz -0.139667 -0.071915 0.200698 -0.042216 -0.136968 -0.105684 8C 3px 0.012075 -0.079903 0.011639 -0.074206 -0.035832 0.012748 8C 3py 0.007643 -0.164268 0.017907 -0.008955 0.298937 0.025448 8C 1dz2 -0.011784 -0.014112 0.015354 0.005805 -0.001367 -0.005112 8C 1dxz 0.046674 0.022405 0.002631 0.010991 -0.005991 0.036357 8C 1dyz 0.017385 0.003264 -0.016644 -0.004417 0.011728 0.004231 8C 1dx2y2 0.018882 0.009352 0.003729 0.008843 -0.008566 0.028106 8C 1dxy -0.002899 -0.022057 0.001107 0.024814 -0.011007 0.000224 8C 2dz2 -0.011029 0.022184 0.004698 -0.123177 -0.017818 -0.088411 8C 2dxz -0.011854 -0.149683 -0.010939 0.045930 0.087316 -0.002457 8C 2dyz -0.079977 0.069187 -0.091564 -0.028721 -0.119728 -0.028602 8C 2dx2y2 -0.137887 -0.037893 -0.015645 -0.068571 -0.061941 -0.172464 8C 2dxy -0.044167 0.223206 0.004157 -0.177374 -0.091639 -0.067514 8C 1f0 0.000681 -0.011978 -0.006726 -0.015967 0.028263 -0.025904 8C 1f+1 0.049546 0.002281 -0.000873 0.008177 0.002914 0.013210 8C 1f-1 0.016325 0.012520 0.003553 0.011516 -0.013607 0.013225 8C 1f+2 0.029983 -0.001832 -0.017603 0.002828 0.000256 0.022258 8C 1f-2 -0.004722 -0.008050 0.001646 0.003668 -0.003220 -0.003227 8C 1f+3 -0.050882 -0.012097 0.011448 -0.032553 0.005051 -0.033818 8C 1f-3 -0.066324 -0.001901 0.015383 -0.019090 0.007990 -0.020103 9C 1s 0.000490 0.000983 -0.000099 -0.000590 0.001650 0.000773 9C 2s 0.001169 0.004582 -0.000599 -0.001510 0.006756 0.001388 9C 3s -0.147449 -0.077732 -0.007679 -0.010580 -0.081298 0.093264 9C 4s 0.912189 0.274777 0.032518 0.121999 0.124297 -0.620819 9C 5s 0.130164 0.368087 -0.756409 -0.107708 -0.554138 -1.122217 9C 1pz -0.070467 0.103311 -0.036982 -0.025516 0.040391 -0.038192 9C 1px 0.035961 -0.011434 0.068739 -0.012988 -0.042230 -0.082139 9C 1py 0.133150 -0.081425 -0.018930 0.037804 0.046462 0.022260 9C 2pz -0.204252 -0.352499 0.114179 0.083565 -0.115367 0.519229 9C 2px -0.116909 -0.219989 -0.161854 -0.161615 0.033676 0.214407 9C 2py -0.677913 0.133511 0.143489 -0.262301 0.017419 0.112152 9C 3pz -0.206149 0.013556 0.111118 -0.035068 0.065622 0.247523 9C 3px 0.091100 -0.057071 0.041858 0.022430 -0.085801 -0.021091 9C 3py 0.057723 -0.183544 0.094069 0.107611 0.082742 0.222729 9C 1dz2 -0.011901 0.006176 -0.020583 0.015420 -0.013485 0.023929 9C 1dxz 0.029103 -0.025195 -0.009267 -0.017878 -0.019550 -0.000312 9C 1dyz -0.019342 -0.002047 -0.004493 -0.003152 0.013627 0.013761 9C 1dx2y2 0.019930 -0.007960 -0.006925 0.014275 -0.023739 0.017039 9C 1dxy -0.010925 -0.001503 0.014947 -0.029458 0.012721 -0.027355 9C 2dz2 0.085311 0.045374 0.021888 -0.119443 0.078371 -0.197511 9C 2dxz 0.064708 0.198789 0.035381 0.158840 -0.005899 -0.149794 9C 2dyz 0.285747 0.042059 -0.027699 0.080219 0.010960 -0.135319 9C 2dx2y2 -0.132964 0.034598 0.019268 -0.059578 0.067230 0.023095 9C 2dxy 0.066139 0.126340 0.003512 0.125103 -0.019803 -0.032280 9C 1f0 -0.047590 0.024229 0.019153 -0.023309 0.023120 -0.036229 9C 1f+1 0.018628 -0.023164 -0.011866 0.003913 -0.022275 0.013904 9C 1f-1 -0.012118 -0.002239 0.002566 0.005578 0.009351 0.028411 9C 1f+2 0.006710 -0.003152 0.020713 0.005828 0.003433 -0.003199 9C 1f-2 -0.048809 0.005262 0.005680 -0.011348 0.023067 -0.001741 9C 1f+3 -0.014936 0.007113 0.029533 -0.012251 0.009057 -0.022139 9C 1f-3 0.026688 -0.010781 -0.011946 -0.005663 -0.003027 -0.002829 10H 1s -0.003849 0.021408 -0.035349 0.054816 -0.007617 -0.066128 10H 2s 0.055830 0.053548 0.141167 -0.017261 -0.008288 0.107261 10H 3s -0.086299 -0.102035 -0.131462 0.028548 -0.007566 -0.093477 10H 1pz -0.038145 -0.046510 0.045252 0.007427 -0.036602 -0.061476 10H 1px -0.013802 -0.005516 0.029102 0.004989 -0.049444 -0.067592 10H 1py 0.090080 0.070992 0.021938 -0.007771 -0.018322 -0.004120 11H 1s -0.146912 -0.062089 0.026163 0.040929 0.098262 -0.026368 11H 2s 0.357196 0.224694 -0.060705 -0.128247 -0.188336 0.083630 11H 3s -0.231348 -0.151780 -0.024361 0.097704 -0.050709 -0.185606 11H 1pz -0.036907 0.055759 -0.043544 -0.014455 0.071195 0.088023 11H 1px 0.073188 0.050817 0.047536 -0.000090 -0.049036 -0.043083 11H 1py 0.003364 0.098997 -0.002681 -0.003950 0.023615 0.078222 12H 1s 0.024540 0.018055 -0.070833 -0.087058 -0.043817 0.131147 12H 2s -0.191775 -0.133317 0.096599 0.172568 0.026468 -0.218550 12H 3s 0.196566 0.168676 -0.099425 -0.195255 -0.162590 0.072734 12H 1pz -0.167551 -0.051445 -0.077753 0.043256 -0.000326 0.069268 12H 1px -0.019030 -0.000853 0.054644 0.045330 -0.019259 -0.078168 12H 1py -0.041730 -0.005601 -0.036590 0.010254 -0.001177 0.036878 13H 1s 0.103818 -0.053420 -0.026320 0.006288 0.038877 0.064907 13H 2s -0.383993 0.006162 0.008533 0.104677 -0.054574 -0.080006 13H 3s 0.224531 -0.084002 -0.052223 -0.103478 0.073564 -0.000246 13H 1pz -0.058304 0.024745 0.031426 0.054140 0.028824 -0.017187 13H 1px -0.090219 -0.006848 -0.037346 0.054175 0.058630 0.039346 13H 1py 0.029724 0.058486 0.083079 0.027507 -0.010954 -0.069683 14H 1s -0.152744 0.047272 0.011809 0.061696 0.041406 -0.157436 14H 2s 0.386212 -0.147435 -0.105294 -0.210105 -0.144080 0.262794 14H 3s -0.210306 0.155808 -0.056812 0.184392 0.207522 -0.174718 14H 1pz 0.095045 0.003593 0.019905 -0.032443 -0.035579 -0.070262 14H 1px -0.071201 -0.042846 -0.026686 0.024613 0.015044 0.058855 14H 1py 0.007166 0.124906 0.051384 0.014318 0.056903 0.043719 15H 1s -0.019245 -0.024453 0.055243 -0.032025 -0.041634 0.019272 15H 2s 0.134929 0.144913 -0.088373 0.104784 0.075595 -0.070148 15H 3s 0.119263 -0.157360 -0.175230 -0.099669 0.001846 0.081836 15H 1pz 0.010704 0.035009 0.078088 0.043639 -0.028283 -0.095331 15H 1px -0.139504 0.011742 -0.001202 0.096948 0.050396 0.008990 15H 1py -0.049079 -0.042534 -0.077008 -0.034017 0.035475 0.048632 16H 1s 0.036702 -0.029969 0.008773 -0.025442 0.002235 -0.018116 16H 2s -0.113924 0.127131 -0.019833 0.147937 -0.008015 0.101789 16H 3s -0.037653 -0.057096 -0.014561 -0.028477 0.009246 -0.037734 16H 1pz 0.043335 0.014356 0.002248 -0.000011 -0.032828 -0.001176 16H 1px -0.032788 0.055425 -0.043807 -0.016611 -0.013150 0.000376 16H 1py -0.118403 0.089580 -0.019004 0.096488 0.024826 0.012909 17H 1s 0.024192 -0.018727 0.009314 0.005130 0.011759 0.001014 17H 2s -0.009726 0.066490 -0.023449 -0.116198 -0.018525 -0.034619 17H 3s 0.004290 -0.024205 0.028714 0.023924 -0.059929 -0.018268 17H 1pz 0.111877 -0.033034 -0.023683 -0.027972 -0.006817 -0.005036 17H 1px -0.059447 0.022449 0.077501 -0.042537 -0.057163 -0.090332 17H 1py -0.073432 0.051915 0.026500 -0.111929 -0.025696 -0.054950 18H 1s -0.023524 -0.017982 -0.010540 0.001178 -0.013115 -0.002923 18H 2s 0.007440 0.061175 0.053386 -0.106779 0.023006 0.040043 18H 3s -0.001749 -0.023116 -0.033702 0.017283 0.058053 0.014885 18H 1pz 0.110953 0.031907 -0.029510 0.020165 -0.004728 -0.001246 18H 1px -0.059991 -0.017274 0.064523 0.059018 -0.058609 -0.088401 18H 1py -0.073603 -0.047583 -0.000729 0.114040 -0.027988 -0.058103 19H 1s -0.036532 -0.030512 -0.002782 -0.028087 -0.002837 0.015824 19H 2s 0.109753 0.131168 -0.013069 0.148136 0.007816 -0.095138 19H 3s 0.037113 -0.057796 0.021462 -0.024619 -0.007677 0.035221 19H 1pz 0.043868 -0.012117 0.002307 0.000386 -0.033020 -0.002802 19H 1px -0.031546 -0.058460 -0.048393 0.007873 -0.012675 0.000093 19H 1py -0.116253 -0.092348 0.004367 -0.098262 0.023396 0.009044 20H 1s 0.018122 -0.023512 -0.047247 -0.043281 0.043548 -0.019898 20H 2s -0.130417 0.141176 0.060708 0.121749 -0.079755 0.075242 20H 3s -0.121217 -0.156465 0.194929 -0.060390 0.000943 -0.089064 20H 1pz 0.007923 -0.032888 0.087396 -0.027159 -0.027690 -0.098926 20H 1px -0.137834 -0.013554 0.020813 -0.096110 0.049968 0.010531 20H 1py -0.047111 0.040217 -0.084274 0.017057 0.035075 0.052710 21H 1s 0.151501 0.045608 -0.025127 0.059857 -0.040653 0.155650 21H 2s -0.383770 -0.146603 0.151140 -0.183976 0.142796 -0.259903 21H 3s 0.206679 0.156379 0.011221 0.193780 -0.207042 0.172680 21H 1pz 0.092124 -0.000584 0.011629 0.035461 -0.034994 -0.073392 21H 1px -0.069945 0.041784 -0.021132 -0.030607 0.014295 0.061650 21H 1py 0.007448 -0.125962 0.054733 -0.000355 0.058584 0.041078 22H 1s -0.100336 -0.052296 0.024300 0.012487 -0.039697 -0.062475 22H 2s 0.374857 0.007312 -0.032464 0.099733 0.055884 0.071986 22H 3s -0.217059 -0.082784 0.075464 -0.088769 -0.074195 0.000479 22H 1pz -0.058301 -0.024998 0.043768 -0.045642 0.029191 -0.017282 22H 1px -0.088922 0.004949 -0.023919 -0.061533 0.057816 0.041836 22H 1py 0.029108 -0.054855 0.087243 -0.007710 -0.009579 -0.073388 23H 1s -0.022864 0.019200 0.087615 -0.069857 0.044068 -0.130524 23H 2s 0.185042 -0.130733 -0.129303 0.153723 -0.025928 0.218484 23H 3s -0.193274 0.170176 0.136755 -0.168235 0.158712 -0.069660 23H 1pz -0.166108 0.046686 -0.068008 -0.062548 0.000741 0.071793 23H 1px -0.019324 0.003136 0.064681 -0.031974 -0.015833 -0.079788 23H 1py -0.041780 0.004360 -0.033351 -0.020312 -0.002876 0.036940 24H 1s 0.149553 -0.062258 -0.033002 0.034234 -0.100928 0.025803 24H 2s -0.360720 0.225242 0.083458 -0.110777 0.192603 -0.081487 24H 3s 0.234691 -0.149467 0.003219 0.108103 0.042141 0.186806 24H 1pz -0.038061 -0.057499 -0.046141 0.002894 0.069744 0.088464 24H 1px 0.071262 -0.047401 0.047662 0.011879 -0.047614 -0.044620 24H 1py 0.002188 -0.098874 -0.001425 0.003398 0.024206 0.077582 25H 1s 0.000717 0.023410 0.023061 0.062128 0.009276 0.063462 25H 2s -0.051090 0.046719 -0.139191 -0.051906 0.000923 -0.101183 25H 3s 0.081777 -0.095796 0.123755 0.056667 0.007589 0.089321 25H 1pz -0.037883 0.045319 0.044733 0.002790 -0.033669 -0.060274 25H 1px -0.015201 0.006695 0.029577 0.000817 -0.046742 -0.068100 25H 1py 0.089612 -0.067718 0.021476 0.014312 -0.016339 -0.005885 26O 1s -0.003003 0.006261 -0.004538 0.006598 0.002272 0.000738 26O 2s -0.005841 0.012309 -0.011657 0.014002 0.004414 -0.000840 26O 3s -0.039481 0.087613 0.022068 0.066830 0.026063 0.055221 26O 4s 0.360570 -0.900888 0.177347 -0.828809 -0.228382 -0.202227 26O 5s 1.048710 -1.454005 -0.349122 -1.124158 -0.663588 -1.509855 26O 1pz 0.019762 -0.037140 0.020999 -0.028452 0.025700 -0.018563 26O 1px 0.002904 0.046615 0.029770 0.040849 0.013857 0.032564 26O 1py 0.018010 -0.007033 -0.012707 -0.025469 -0.012283 -0.000756 26O 2pz -0.035432 0.027660 0.033451 0.060894 0.007462 0.031852 26O 2px -0.294390 0.598481 -0.088085 0.544087 0.175753 0.257143 26O 2py -0.092519 0.303536 0.004397 0.194111 0.084607 0.142125 26O 3pz -0.009755 0.070926 0.095638 0.021808 0.157729 -0.305406 26O 3px -0.444995 0.769815 0.317894 0.617056 0.431693 0.432203 26O 3py -0.546638 0.124459 0.144929 0.356325 -0.192594 0.051909 26O 1dz2 0.003313 0.000910 0.002525 -0.009802 -0.001049 -0.000467 26O 1dxz 0.003303 -0.000638 0.000860 -0.004200 -0.004795 -0.002873 26O 1dyz 0.000575 -0.006697 0.000652 -0.000209 -0.000798 0.001330 26O 1dx2y2 -0.003837 0.009034 -0.001697 0.002186 -0.003164 0.008234 26O 1dxy 0.001168 0.004649 0.000643 0.001942 0.006437 0.000470 26O 2dz2 0.068183 0.300063 0.063937 0.125471 0.022794 0.007428 26O 2dxz 0.088553 -0.033177 -0.077324 -0.109384 -0.262404 0.003063 26O 2dyz 0.004301 0.061789 0.016296 0.150031 -0.201880 -0.063584 26O 2dx2y2 -0.047982 -0.120059 -0.148076 -0.233319 -0.294552 0.126912 26O 2dxy 0.174611 -0.075047 0.030650 -0.041653 0.315139 -0.188297 26O 1f0 0.005297 -0.005470 0.000138 0.001458 0.001462 -0.005843 26O 1f+1 0.005092 -0.014437 0.001181 -0.005279 -0.000867 -0.007260 26O 1f-1 0.003026 -0.002325 -0.001012 0.001206 -0.001902 -0.007698 26O 1f+2 -0.001166 -0.006519 -0.001068 0.001947 0.005103 0.000364 26O 1f-2 -0.002756 0.008622 -0.002710 0.006717 0.003531 0.007909 26O 1f+3 0.005367 -0.004932 0.000780 -0.008582 -0.001406 -0.001548 26O 1f-3 0.011699 -0.017729 0.004248 -0.019283 -0.011565 -0.011760 27O 1s -0.001222 -0.005603 0.002619 0.007505 0.002864 -0.002016 27O 2s 0.001781 -0.011411 0.005298 0.015235 0.009119 -0.003228 27O 3s -0.134051 -0.068798 0.026682 0.090803 -0.051607 -0.027598 27O 4s 0.671253 0.788293 -0.226955 -0.972917 0.021624 0.178412 27O 5s 2.681191 0.904161 -1.004553 -1.704325 1.057582 0.558324 27O 1pz -0.000922 0.022354 -0.018236 -0.013468 0.022548 0.002496 27O 1px -0.040387 -0.016190 0.012635 0.033115 -0.027046 0.012534 27O 1py 0.002875 -0.041985 -0.039135 0.034327 -0.009604 -0.001060 27O 2pz -0.014350 0.079841 0.009548 -0.010793 -0.006955 0.003368 27O 2px -0.621951 -0.506541 0.237313 0.717113 -0.134204 -0.200450 27O 2py 0.155185 0.125166 -0.032642 -0.119348 0.065064 0.012034 27O 3pz 0.009220 -0.245190 -0.390072 -0.081095 0.089208 -0.020821 27O 3px -1.605814 -0.608624 0.388927 1.025415 -0.371677 0.056026 27O 3py 0.438336 -0.034726 -0.224107 -0.273705 -0.201687 -0.344519 27O 1dz2 0.003617 -0.004596 -0.002506 -0.008429 0.001102 0.002553 27O 1dxz 0.002772 0.003303 0.005141 -0.003967 0.002348 0.008395 27O 1dyz -0.000661 0.000594 -0.002109 0.004298 0.002693 -0.000118 27O 1dx2y2 -0.001925 -0.010472 0.002778 0.004826 -0.003384 -0.001001 27O 1dxy 0.003519 0.000870 0.003644 0.000165 -0.002755 -0.000234 27O 2dz2 -0.121378 -0.180975 -0.079574 0.028953 -0.057387 -0.029369 27O 2dxz 0.195408 0.136515 0.358809 -0.056582 -0.001318 0.324625 27O 2dyz -0.068585 0.186443 0.053548 -0.091932 0.021994 -0.145696 27O 2dx2y2 0.360828 0.155569 0.050880 -0.329517 0.010286 -0.056816 27O 2dxy -0.143490 0.090508 0.351080 0.039453 -0.082061 0.079993 27O 1f0 -0.000837 -0.001476 -0.001144 -0.000620 -0.002865 0.001035 27O 1f+1 0.017250 0.015274 -0.010580 -0.016807 0.005222 0.005674 27O 1f-1 -0.003868 -0.005783 0.006679 0.000644 -0.002606 -0.001361 27O 1f+2 0.003085 0.007272 0.001182 -0.006465 -0.002645 -0.002842 27O 1f-2 0.003050 0.002035 0.000229 -0.008558 0.001343 0.005250 27O 1f+3 0.018446 0.006290 -0.007276 -0.018559 0.002232 0.006817 27O 1f-3 -0.011372 -0.004718 0.005258 0.013373 -0.004989 -0.012759 28O 1s 0.001443 -0.006886 -0.002606 -0.006149 0.001191 -0.001818 28O 2s 0.004267 -0.013948 -0.009277 -0.013416 0.002554 -0.003671 28O 3s -0.026515 -0.088246 0.073642 -0.051341 0.020646 -0.000273 28O 4s 0.096811 0.960708 -0.168232 0.739519 -0.179132 0.063630 28O 5s 0.020692 1.116317 -1.063647 0.693741 -0.783750 -0.653963 28O 1pz -0.050117 0.018853 0.005693 0.020336 0.043800 0.023564 28O 1px -0.026768 0.035975 -0.013963 0.031624 -0.005608 -0.058602 28O 1py 0.037356 0.023919 -0.034192 0.015347 -0.018032 0.025108 28O 2pz -0.036613 -0.386225 0.147100 -0.309531 0.095308 0.054092 28O 2px 0.016121 0.531981 -0.176432 0.382740 -0.110439 0.069401 28O 2py -0.078116 -0.071297 0.038664 0.015878 0.057380 0.017165 28O 3pz -0.079737 -0.673333 0.055132 -0.145170 0.726604 0.509514 28O 3px 0.231523 0.570929 -0.418611 0.368392 -0.355148 -0.527690 28O 3py -0.139145 -0.114527 -0.002644 -0.256168 -0.075717 0.229358 28O 1dz2 -0.006927 -0.000510 -0.002847 0.007373 -0.000033 0.002257 28O 1dxz 0.000741 0.004468 -0.001494 0.008076 0.000612 -0.001742 28O 1dyz 0.003235 0.003999 -0.000421 0.001207 0.002694 0.001078 28O 1dx2y2 0.002278 -0.008355 0.004759 0.000083 0.000461 -0.005169 28O 1dxy 0.001010 0.000492 0.003406 -0.002373 -0.006856 -0.003224 28O 2dz2 -0.148360 -0.105060 -0.048225 0.016677 -0.101987 0.046469 28O 2dxz -0.057611 -0.286107 0.070631 -0.025386 0.312360 0.142762 28O 2dyz 0.082196 -0.077693 -0.029738 -0.141190 0.120790 0.085094 28O 2dx2y2 0.077034 0.027357 0.041483 0.222612 0.088957 -0.306689 28O 2dxy -0.022972 -0.124600 0.030596 -0.204715 -0.317620 0.080492 28O 1f0 0.006911 0.011525 -0.000678 -0.000274 0.000902 -0.000619 28O 1f+1 -0.000918 0.010730 -0.005901 0.006727 0.002150 0.005018 28O 1f-1 -0.000942 -0.009063 0.000546 -0.007834 0.000859 -0.002848 28O 1f+2 0.003645 -0.012547 0.007297 -0.013951 0.007394 -0.001865 28O 1f-2 0.000417 0.005889 -0.006876 -0.000331 -0.000493 0.007196 28O 1f+3 -0.001934 -0.012807 0.003288 -0.007535 0.004994 -0.000095 28O 1f-3 -0.001150 0.000151 -0.000864 -0.000349 -0.004739 0.003465 29O 1s 0.000587 -0.000277 0.000324 -0.000302 0.000262 -0.000072 29O 2s 0.003439 -0.001596 0.001330 -0.001363 0.000901 -0.000544 29O 3s -0.054909 0.028611 -0.014281 0.016014 -0.005584 0.011643 29O 4s 0.244726 -0.081265 0.041069 -0.058421 0.015099 -0.043649 29O 5s -0.402861 -0.088079 -0.016771 0.080796 -0.015213 0.021317 29O 1pz -0.002856 -0.002272 0.001914 -0.009451 -0.008903 -0.011145 29O 1px 0.055945 -0.016121 -0.006554 -0.002167 0.000224 0.000956 29O 1py 0.045431 -0.042687 0.005143 0.003241 -0.004385 -0.000952 29O 2pz 0.014868 0.026325 0.006300 0.049387 -0.012360 0.003852 29O 2px -0.005553 -0.019026 0.015691 0.013602 -0.011254 -0.013202 29O 2py -0.065708 0.053638 -0.019867 0.006479 0.005349 0.018303 29O 3pz -0.125345 0.009832 -0.030501 0.130433 -0.004775 0.057179 29O 3px 0.208166 0.009107 -0.027462 0.031545 0.068793 0.059225 29O 3py 0.055441 0.000410 0.019348 0.005890 -0.027577 0.004371 29O 1dz2 -0.000500 0.000957 -0.000010 0.002219 0.000357 -0.000161 29O 1dxz -0.001430 -0.001782 -0.000219 -0.003275 0.001302 -0.000184 29O 1dyz 0.001635 0.000385 0.000652 -0.002210 -0.001077 -0.000888 29O 1dx2y2 -0.000978 0.001359 0.000621 -0.001938 0.000217 -0.001106 29O 1dxy 0.000541 -0.003475 0.000340 0.000370 -0.001406 -0.001391 29O 2dz2 0.043764 -0.027380 0.034877 -0.009275 -0.032428 -0.035942 29O 2dxz -0.046492 0.021240 -0.053515 0.012647 0.040121 0.043298 29O 2dyz -0.000300 0.030804 -0.045895 0.016269 0.046943 0.026789 29O 2dx2y2 0.056230 -0.068951 -0.036664 0.044580 0.037838 0.071662 29O 2dxy -0.030551 -0.042770 -0.008961 -0.006369 -0.012372 -0.018742 29O 1f0 -0.002212 0.003690 -0.001236 0.001860 -0.000875 0.001721 29O 1f+1 0.001897 -0.000475 0.000767 0.001797 -0.000861 -0.001655 29O 1f-1 -0.005293 0.005441 -0.000720 0.003309 -0.001151 0.000844 29O 1f+2 0.000047 -0.002471 0.000628 -0.003682 0.000563 -0.001345 29O 1f-2 -0.005217 0.003659 -0.001072 -0.002080 0.000623 0.001285 29O 1f+3 0.003018 -0.001119 0.000151 0.001710 -0.000803 0.000234 29O 1f-3 0.002725 0.001863 0.000442 0.000338 0.000252 0.000468 30O 1s 0.001666 0.006131 0.001959 -0.005864 0.003776 -0.000353 30O 2s 0.004883 0.013258 0.004398 -0.011461 0.010417 -0.002694 30O 3s -0.024768 0.054383 0.021253 -0.082775 -0.040508 0.028235 30O 4s 0.065871 -0.733426 -0.233825 0.842520 -0.036134 -0.018389 30O 5s -0.060595 -0.768018 -0.796017 1.039611 0.905603 -0.187469 30O 1pz -0.029892 -0.000919 0.014603 0.007808 0.008506 -0.032821 30O 1px -0.040924 -0.047135 -0.018204 0.038758 0.054567 0.005350 30O 1py -0.015850 0.004913 -0.040081 -0.020864 0.036865 0.008727 30O 2pz 0.021993 0.204132 0.103653 -0.313125 -0.075005 0.048832 30O 2px 0.007690 -0.384340 -0.105358 0.426947 -0.013450 -0.065666 30O 2py 0.040971 -0.256447 -0.096843 0.266682 0.063476 0.004091 30O 3pz -0.050665 0.296290 0.186481 -0.295925 -0.285557 -0.371470 30O 3px 0.072416 -0.289695 -0.434768 0.432564 0.436816 0.053300 30O 3py 0.202333 -0.157315 -0.685117 0.470059 0.246568 0.197400 30O 1dz2 -0.003644 0.002935 0.005962 0.005897 0.001308 -0.003320 30O 1dxz -0.000392 -0.001265 -0.004614 0.007868 0.000479 -0.003424 30O 1dyz -0.000803 -0.001020 -0.001096 -0.002586 0.000612 -0.001421 30O 1dx2y2 -0.002301 0.009314 -0.002462 -0.001512 0.001943 0.004778 30O 1dxy -0.000172 0.003735 -0.001593 -0.002971 -0.000313 -0.002757 30O 2dz2 -0.153202 0.107251 0.278296 0.155652 -0.013883 -0.035739 30O 2dxz 0.021238 0.139021 -0.173964 -0.056257 -0.104720 -0.295444 30O 2dyz -0.001575 -0.106399 0.074976 -0.045268 -0.029982 0.056313 30O 2dx2y2 -0.094134 -0.008631 -0.081186 0.122307 0.099800 0.094692 30O 2dxy -0.114214 -0.200161 -0.333795 0.270962 0.186633 -0.023775 30O 1f0 -0.000763 -0.013836 -0.006185 0.015592 -0.001133 -0.004298 30O 1f+1 -0.001377 -0.001582 -0.004053 0.000388 -0.000580 -0.004092 30O 1f-1 -0.001856 0.004576 0.004720 0.009071 0.001938 -0.001486 30O 1f+2 0.001212 -0.000399 0.003144 -0.001473 -0.002890 0.000486 30O 1f-2 -0.002437 0.014815 0.005180 -0.012835 0.000014 0.009366 30O 1f+3 0.004089 -0.000037 0.001885 -0.000142 -0.001949 -0.003766 30O 1f-3 -0.001121 0.003508 0.000729 -0.009901 -0.000632 -0.002446 31O 1s -0.001611 0.006132 -0.000637 -0.006230 -0.003734 0.000438 31O 2s -0.004755 0.013204 -0.001797 -0.012356 -0.010317 0.002881 31O 3s 0.024874 0.055602 -0.002786 -0.085026 0.040474 -0.027824 31O 4s -0.068349 -0.738270 0.045457 0.875154 0.032150 0.013436 31O 5s 0.050236 -0.777788 0.548969 1.200205 -0.894100 0.164806 31O 1pz -0.030530 0.001603 0.015867 -0.004407 0.008886 -0.033971 31O 1px -0.040317 0.046451 -0.009528 -0.042727 0.053871 0.006252 31O 1py -0.015669 -0.006137 -0.043635 0.011986 0.036742 0.009706 31O 2pz 0.020150 -0.206068 0.032262 0.328980 -0.075236 0.046520 31O 2px 0.008814 0.388477 -0.010101 -0.441862 -0.012818 -0.062478 31O 2py 0.041975 0.258293 -0.037267 -0.281250 0.062962 0.006668 31O 3pz -0.055139 -0.303303 0.119505 0.326649 -0.284377 -0.378832 31O 3px 0.075962 0.288559 -0.327849 -0.520245 0.434965 0.061066 31O 3py 0.205604 0.154713 -0.559948 -0.615197 0.247846 0.200974 31O 1dz2 0.003511 0.002759 -0.007186 0.004435 -0.001319 0.003260 31O 1dxz 0.000338 -0.001261 0.002705 0.008748 -0.000506 0.003419 31O 1dyz 0.000814 -0.000997 0.001682 -0.002266 -0.000578 0.001349 31O 1dx2y2 0.002174 0.009460 0.002613 -0.001014 -0.001990 -0.004816 31O 1dxy 0.000168 0.003775 0.002166 -0.002475 0.000343 0.002730 31O 2dz2 0.149261 0.100766 -0.306795 0.089665 0.012047 0.034946 31O 2dxz -0.018691 0.140346 0.181009 -0.013185 0.102837 0.298390 31O 2dyz 0.004637 -0.104712 -0.061702 -0.061236 0.029057 -0.055183 31O 2dx2y2 0.092187 -0.003879 0.051344 0.137538 -0.100938 -0.097097 31O 2dxy 0.112495 -0.195186 0.265941 0.342760 -0.185850 0.020630 31O 1f0 -0.000710 0.013974 -0.002687 -0.016610 -0.001108 -0.004118 31O 1f+1 -0.001355 0.001590 -0.003916 -0.001351 -0.000607 -0.004038 31O 1f-1 -0.001760 -0.004452 0.006792 -0.007747 0.001998 -0.001525 31O 1f+2 0.001192 0.000372 0.002742 0.002177 -0.002910 0.000489 31O 1f-2 -0.002519 -0.015074 0.002357 0.013737 0.000079 0.009090 31O 1f+3 0.004071 0.000173 0.001794 0.000574 -0.001988 -0.003723 31O 1f-3 -0.001223 -0.003619 -0.001565 0.009762 -0.000649 -0.002535 32O 1s -0.000573 -0.000250 -0.000280 -0.000372 -0.000269 0.000074 32O 2s -0.003414 -0.001513 -0.001065 -0.001725 -0.000946 0.000474 32O 3s 0.055051 0.028187 0.010123 0.021258 0.006335 -0.009219 32O 4s -0.246173 -0.080798 -0.023801 -0.078485 -0.018413 0.033610 32O 5s 0.407691 -0.088927 -0.009543 0.103652 0.019180 -0.016768 32O 1pz -0.003581 0.002321 -0.000379 0.009247 -0.009191 -0.011206 32O 1px 0.055381 0.015617 -0.006746 0.001336 0.000442 0.001345 32O 1py 0.045554 0.042207 0.005771 -0.001206 -0.003791 0.000394 32O 2pz 0.015147 -0.026191 0.018204 -0.046535 -0.011591 0.002766 32O 2px -0.005423 0.019114 0.018178 -0.009166 -0.010774 -0.010967 32O 2py -0.065060 -0.053500 -0.017069 -0.014471 0.003602 0.013952 32O 3pz -0.121280 -0.013005 0.000607 -0.135542 -0.005432 0.056264 32O 3px 0.209221 -0.010826 -0.018078 -0.030396 0.071621 0.058482 32O 3py 0.054793 -0.002069 0.019004 -0.002447 -0.025799 0.008596 32O 1dz2 0.000653 0.000972 -0.000550 0.002275 -0.000482 0.000136 32O 1dxz 0.001529 -0.001795 0.000965 -0.003094 -0.001315 0.000196 32O 1dyz -0.001552 0.000346 -0.000132 -0.002271 0.001053 0.000896 32O 1dx2y2 0.001073 0.001362 -0.000109 -0.002016 -0.000236 0.001052 32O 1dxy -0.000490 -0.003496 -0.000321 0.000240 0.001414 0.001303 32O 2dz2 -0.041944 -0.031598 -0.033520 -0.016646 0.034410 0.035388 32O 2dxz 0.044695 0.026912 0.049815 0.023195 -0.041832 -0.043006 32O 2dyz -0.002614 0.031072 0.039800 0.026298 -0.047357 -0.026150 32O 2dx2y2 -0.056553 -0.065181 0.023179 0.052409 -0.039104 -0.073097 32O 2dxy 0.028315 -0.043801 0.014896 -0.003858 0.012517 0.016037 32O 1f0 -0.001917 -0.003370 -0.000709 -0.002150 -0.000885 0.001378 32O 1f+1 0.002133 0.000678 0.001214 -0.001466 -0.000805 -0.001582 32O 1f-1 -0.005434 -0.005591 0.000043 -0.003596 -0.001279 0.000446 32O 1f+2 0.000364 0.002742 -0.000261 0.003932 0.000584 -0.001266 32O 1f-2 -0.005087 -0.003526 -0.001457 0.001701 0.000517 0.000900 32O 1f+3 0.002858 0.001027 0.000491 -0.001489 -0.000750 0.000343 32O 1f-3 0.002670 -0.001947 0.000595 -0.000274 0.000325 0.000595 33O 1s -0.001243 -0.006872 0.004068 -0.005470 -0.001099 0.001801 33O 2s -0.003785 -0.013867 0.012329 -0.011086 -0.002344 0.003667 33O 3s 0.026979 -0.089262 -0.057759 -0.068188 -0.020136 -0.000834 33O 4s -0.114285 0.963457 -0.024827 0.769003 0.173581 -0.057632 33O 5s -0.038724 1.137588 0.843326 0.953555 0.755765 0.671434 33O 1pz -0.049999 -0.018537 0.010476 -0.019099 0.042738 0.023326 33O 1px -0.025486 -0.036097 -0.005671 -0.034674 -0.004356 -0.058993 33O 1py 0.037822 -0.023946 -0.029533 -0.022565 -0.018216 0.025366 33O 2pz -0.043140 0.387512 0.062865 0.339689 0.091453 0.058386 33O 2px 0.025618 -0.535933 -0.072557 -0.420109 -0.106303 0.065510 33O 2py -0.078690 0.071805 0.039649 -0.006455 0.057200 0.018359 33O 3pz -0.083089 0.676887 0.006840 0.176119 0.712655 0.517360 33O 3px 0.240537 -0.575246 -0.307484 -0.469122 -0.342104 -0.537778 33O 3py -0.138061 0.108832 -0.063302 0.252595 -0.078711 0.236276 33O 1dz2 0.006830 -0.000413 0.001078 0.007889 0.000072 -0.002321 33O 1dxz -0.000863 0.004436 -0.000508 0.008237 -0.000655 0.001814 33O 1dyz -0.003313 0.003983 0.000102 0.001209 -0.002592 -0.001084 33O 1dx2y2 -0.002161 -0.008503 -0.004510 -0.001075 -0.000487 0.005180 33O 1dxy -0.001004 0.000470 -0.002777 -0.003083 0.006859 0.003182 33O 2dz2 0.152178 -0.100894 0.044342 0.031727 0.100527 -0.048555 33O 2dxz 0.060942 -0.286262 -0.056935 -0.044055 -0.309340 -0.145214 33O 2dyz -0.077931 -0.077203 0.061734 -0.130993 -0.119917 -0.081759 33O 2dx2y2 -0.079646 0.024268 -0.092386 0.208007 -0.094614 0.309056 33O 2dxy 0.022389 -0.119721 0.020401 -0.206769 0.317714 -0.086495 33O 1f0 0.006957 -0.011581 -0.000510 -0.000001 0.001042 -0.000705 33O 1f+1 -0.000829 -0.010881 -0.003892 -0.008027 0.002355 0.004880 33O 1f-1 -0.001040 0.009031 -0.001472 0.007764 0.000815 -0.002753 33O 1f+2 0.003341 0.012723 0.003586 0.015609 0.007105 -0.001720 33O 1f-2 0.000500 -0.006148 -0.006631 -0.001328 -0.000445 0.007138 33O 1f+3 -0.002128 0.012778 0.001155 0.008215 0.004886 0.000076 33O 1f-3 -0.001151 -0.000253 -0.000920 0.000104 -0.004724 0.003462 34O 1s 0.001241 -0.005689 -0.004158 0.006815 -0.002858 0.001983 34O 2s -0.001709 -0.011615 -0.008383 0.013799 -0.009110 0.003171 34O 3s 0.133430 -0.068644 -0.046502 0.084653 0.051597 0.027167 34O 4s -0.669984 0.790455 0.434019 -0.913020 -0.022132 -0.173831 34O 5s -2.676555 0.924827 1.366860 -1.484082 -1.049023 -0.568133 34O 1pz -0.000906 -0.022344 -0.021101 0.010197 0.022339 0.002806 34O 1px -0.040559 0.016619 0.019546 -0.029963 -0.026159 0.011823 34O 1py 0.002504 0.042417 -0.030805 -0.042522 -0.009183 -0.000762 34O 2pz -0.013395 -0.080643 0.008363 0.013204 -0.006641 0.002649 34O 2px -0.620355 0.511085 0.389773 -0.658509 -0.133292 -0.199820 34O 2py 0.155272 -0.125565 -0.057826 0.111543 0.064780 0.011887 34O 3pz 0.012195 0.237983 -0.408011 -0.013334 0.086062 -0.008175 34O 3px -1.603185 0.605884 0.611416 -0.942991 -0.370117 0.054512 34O 3py 0.436529 0.038681 -0.284803 0.222939 -0.199173 -0.346970 34O 1dz2 -0.003495 -0.004571 0.004501 -0.007699 -0.001085 -0.002601 34O 1dxz -0.002720 0.003332 -0.004189 -0.005161 -0.002330 -0.008362 34O 1dyz 0.000658 0.000652 0.001021 0.004669 -0.002709 0.000187 34O 1dx2y2 0.001996 -0.010596 -0.003668 0.004170 0.003376 0.000997 34O 1dxy -0.003494 0.000744 -0.003625 -0.000671 0.002711 0.000309 34O 2dz2 0.124887 -0.179536 0.074201 0.050612 0.055885 0.030382 34O 2dxz -0.191826 0.135361 -0.342376 -0.140113 -0.000239 -0.316819 34O 2dyz 0.068043 0.184190 -0.033811 -0.102570 -0.022299 0.148015 34O 2dx2y2 -0.358287 0.153548 0.023652 -0.337605 -0.008208 0.057803 34O 2dxy 0.142614 0.086501 -0.355639 -0.038776 0.082633 -0.078762 34O 1f0 -0.000867 0.001456 -0.001241 0.000236 -0.002887 0.001013 34O 1f+1 0.017163 -0.015537 -0.013906 0.014291 0.005246 0.005519 34O 1f-1 -0.003938 0.005990 0.006534 0.000833 -0.002607 -0.001361 34O 1f+2 0.003153 -0.007211 -0.000266 0.006651 -0.002615 -0.002862 34O 1f-2 0.003017 -0.002030 -0.001735 0.008482 0.001301 0.005281 34O 1f+3 0.018366 -0.006364 -0.011312 0.016825 0.002223 0.006860 34O 1f-3 -0.011316 0.004900 0.008121 -0.012122 -0.005000 -0.012771 35O 1s 0.002895 0.006278 0.002800 0.007504 -0.002222 -0.000747 35O 2s 0.005597 0.012352 0.007954 0.016409 -0.004238 0.000792 35O 3s 0.038808 0.087226 -0.038819 0.059868 -0.027272 -0.054665 35O 4s -0.346769 -0.900719 0.034579 -0.848563 0.231522 0.201016 35O 5s -1.055306 -1.426689 0.630692 -1.033528 0.666392 1.498667 35O 1pz 0.018355 0.038039 0.013280 0.033463 0.025941 -0.018844 35O 1px 0.002572 -0.045267 0.039068 -0.034454 0.013494 0.032724 35O 1py 0.017855 0.007989 -0.018284 0.022764 -0.013020 -0.000762 35O 2pz -0.035458 -0.025989 0.047531 -0.051626 0.007515 0.031471 35O 2px -0.287746 -0.596541 0.051206 -0.552259 0.176577 0.255078 35O 2py -0.090803 -0.301907 0.055131 -0.188939 0.085294 0.140494 35O 3pz -0.012941 -0.065503 0.101156 0.004711 0.164330 -0.307366 35O 3px -0.448707 -0.749760 0.469441 -0.532431 0.433556 0.424094 35O 3py -0.545105 -0.118686 0.229514 -0.318272 -0.190894 0.051246 35O 1dz2 -0.003185 0.000852 -0.000199 -0.010160 0.001028 0.000526 35O 1dxz -0.003227 -0.000722 0.000131 -0.004375 0.004785 0.002905 35O 1dyz -0.000509 -0.006702 -0.000477 -0.000366 0.000803 -0.001385 35O 1dx2y2 0.003737 0.009116 0.000977 0.002582 0.003166 -0.008204 35O 1dxy -0.001116 0.004600 -0.001192 0.001701 -0.006475 -0.000388 35O 2dz2 -0.069908 0.294566 -0.096068 0.108177 -0.025021 -0.005637 35O 2dxz -0.090494 -0.031605 0.102584 -0.090575 0.268241 -0.004575 35O 2dyz -0.009121 0.064339 -0.050803 0.144040 0.202526 0.060451 35O 2dx2y2 0.045740 -0.113857 0.199935 -0.195625 0.293859 -0.127367 35O 2dxy -0.171886 -0.074450 -0.017465 -0.050866 -0.316289 0.190087 35O 1f0 0.005332 0.005540 0.000367 -0.001359 0.001462 -0.005817 35O 1f+1 0.005100 0.014425 -0.000354 0.005408 -0.000891 -0.007196 35O 1f-1 0.003122 0.002358 -0.000749 -0.001359 -0.001849 -0.007717 35O 1f+2 -0.001230 0.006582 -0.000685 -0.002075 0.005073 0.000363 35O 1f-2 -0.002701 -0.008628 -0.000903 -0.007165 0.003528 0.007850 35O 1f+3 0.005328 0.004893 -0.001306 0.008578 -0.001422 -0.001561 35O 1f-3 0.011601 0.017639 -0.000686 0.019787 -0.011590 -0.011610 378 379 380 381 382 383 2.01611 2.03190 2.04223 2.05134 2.06967 2.07425 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s -0.001063 -0.003401 0.001047 -0.004684 0.001058 -0.003092 0Rh 2s 0.005182 0.012952 -0.003671 0.021173 -0.004303 0.014759 0Rh 3s -0.003088 -0.012099 0.003916 -0.014634 0.003596 -0.009186 0Rh 4s -0.025809 -0.063927 0.018069 -0.105537 0.021381 -0.073724 0Rh 5s 0.035703 0.062881 -0.014994 0.136470 -0.023953 0.100358 0Rh 6s 0.017778 0.162190 -0.058639 0.119915 -0.041514 0.064324 0Rh 7s -0.074009 -0.543690 0.183825 -0.826986 0.244677 -0.421981 0Rh 8s -0.110808 -0.332374 0.129695 -0.935495 0.357794 -0.533750 0Rh 1pz 0.003329 -0.005524 -0.001770 -0.002048 -0.000987 0.013185 0Rh 1px -0.001772 0.014873 -0.007261 -0.017198 0.000101 -0.002498 0Rh 1py 0.010049 0.000983 0.002345 -0.000474 0.007741 0.003000 0Rh 2pz -0.011712 0.019234 0.005965 0.006261 0.003247 -0.046155 0Rh 2px 0.006413 -0.052142 0.025326 0.061490 -0.001030 0.009149 0Rh 2py -0.035156 -0.003503 -0.008113 0.001878 -0.027173 -0.010105 0Rh 3pz 0.008668 -0.009472 0.000732 0.015110 0.001428 0.025874 0Rh 3px -0.008388 0.032787 -0.013260 -0.063551 0.014611 -0.014329 0Rh 3py 0.022245 0.002624 0.002984 -0.006299 0.016194 -0.001789 0Rh 4pz 0.039562 -0.087843 -0.038263 -0.101270 -0.021346 0.205626 0Rh 4px -0.007312 0.212053 -0.112904 -0.146281 -0.051321 0.000745 0Rh 4py 0.131128 0.017523 0.040055 0.016797 0.121132 0.069937 0Rh 5pz -0.060242 0.161883 0.054885 0.169705 0.024546 -0.372132 0Rh 5px 0.010126 -0.402470 0.207702 0.263048 0.083253 -0.004797 0Rh 5py -0.197405 -0.049922 -0.063854 -0.037681 -0.231385 -0.110982 0Rh 6pz -0.174058 -0.307825 -0.437510 -0.373385 -0.228521 0.230429 0Rh 6px -0.056021 0.555478 -0.331889 -0.619703 -0.096797 -0.154499 0Rh 6py 0.116824 -0.082766 -0.238831 0.024292 0.356348 0.032248 0Rh 1dz2 -0.002121 0.005142 0.005854 0.003928 -0.002931 0.007851 0Rh 1dxz 0.002152 0.000433 -0.006198 0.012690 -0.002139 -0.004778 0Rh 1dyz -0.001978 0.006003 0.005107 0.001780 0.004045 0.000447 0Rh 1dx2y2 -0.000467 -0.004239 -0.000784 -0.007456 -0.003087 -0.011534 0Rh 1dxy 0.006485 -0.009442 0.008164 -0.004707 -0.006919 -0.009120 0Rh 2dz2 0.000532 0.001757 0.001204 0.001453 0.000635 0.001035 0Rh 2dxz -0.000311 0.002378 0.000261 0.001590 0.000088 0.001484 0Rh 2dyz 0.000057 0.000448 0.001250 0.001174 0.002486 0.001326 0Rh 2dx2y2 -0.001093 -0.002674 0.002561 -0.003094 0.002801 0.000024 0Rh 2dxy -0.001466 -0.000075 -0.000123 -0.000381 0.003358 -0.000577 0Rh 3dz2 0.003047 -0.021031 -0.020104 -0.016734 0.004794 -0.025138 0Rh 3dxz -0.004306 -0.011774 0.014928 -0.040160 0.005415 0.005833 0Rh 3dyz 0.004785 -0.017375 -0.018447 -0.009860 -0.021734 -0.007292 0Rh 3dx2y2 0.006079 0.022964 -0.009221 0.033214 -0.004584 0.030043 0Rh 3dxy -0.010183 0.024746 -0.020522 0.014005 0.003176 0.026098 0Rh 4dz2 0.008988 0.025571 0.009044 0.022124 0.009905 0.017256 0Rh 4dxz -0.003332 0.038821 0.004047 0.025601 -0.001747 0.021923 0Rh 4dyz 0.002899 0.002983 0.009473 0.017876 0.039081 0.023963 0Rh 4dx2y2 -0.015658 -0.044446 0.036947 -0.047137 0.044653 -0.000920 0Rh 4dxy -0.022745 -0.001294 -0.005012 -0.007068 0.048031 -0.003829 0Rh 5dz2 -0.039202 -0.097787 0.075018 -0.072952 -0.032778 -0.077261 0Rh 5dxz 0.015889 -0.198107 -0.016377 -0.102626 0.016706 -0.067804 0Rh 5dyz -0.043333 0.042930 0.126491 -0.067777 -0.147876 -0.140269 0Rh 5dx2y2 0.036992 0.240013 -0.139735 0.165273 -0.189625 -0.013714 0Rh 5dxy 0.070640 0.039031 0.075887 0.031020 -0.162592 -0.037492 0Rh 1f0 0.011731 0.010848 -0.052877 0.048500 0.034680 -0.042376 0Rh 1f+1 0.009117 -0.025271 0.006840 0.009988 -0.124091 -0.086388 0Rh 1f-1 0.087140 -0.051530 -0.020206 -0.026378 0.020689 -0.025225 0Rh 1f+2 0.035763 -0.083108 0.063860 0.051656 0.113076 0.002536 0Rh 1f-2 0.072550 -0.048240 0.064763 -0.050637 -0.042685 0.054449 0Rh 1f+3 -0.006124 -0.071950 0.003974 -0.023498 0.094031 -0.063492 0Rh 1f-3 0.092084 -0.059282 -0.028004 -0.063589 -0.058140 0.074776 1Rh 1s -0.001079 -0.003296 0.000958 0.004806 -0.000912 0.002899 1Rh 2s 0.005258 0.012479 -0.003289 -0.021622 0.003653 -0.013911 1Rh 3s -0.003138 -0.011766 0.003627 0.015077 -0.003138 0.008565 1Rh 4s -0.026183 -0.061572 0.016164 0.107747 -0.018155 0.069509 1Rh 5s 0.036181 0.059906 -0.012616 -0.138466 0.020027 -0.095309 1Rh 6s 0.018252 0.159183 -0.056203 -0.126435 0.036468 -0.057479 1Rh 7s -0.077962 -0.521709 0.169292 0.848344 -0.224942 0.394922 1Rh 8s -0.113770 -0.318048 0.105742 0.940738 -0.369235 0.542432 1Rh 1pz -0.002835 0.005469 0.001795 -0.002156 -0.000749 0.013484 1Rh 1px 0.001964 -0.015213 0.007708 -0.016573 0.000048 -0.002217 1Rh 1py -0.009986 -0.000947 -0.001966 -0.000623 0.007641 0.002743 1Rh 2pz 0.010026 -0.019066 -0.006039 0.006638 0.002393 -0.047212 1Rh 2px -0.007074 0.053351 -0.026933 0.059303 -0.000811 0.008110 1Rh 2py 0.034942 0.003385 0.006812 0.002404 -0.026805 -0.009230 1Rh 3pz -0.008498 0.009888 -0.000986 0.014894 0.002406 0.026779 1Rh 3px 0.008633 -0.033951 0.015120 -0.062316 0.013741 -0.012519 1Rh 3py -0.022230 -0.002749 -0.002686 -0.006727 0.015582 -0.001702 1Rh 4pz -0.029472 0.085144 0.040079 -0.103046 -0.019717 0.208363 1Rh 4px 0.010566 -0.215178 0.116013 -0.136763 -0.049095 -0.000132 1Rh 4py -0.129866 -0.016103 -0.032893 0.015282 0.121367 0.063608 1Rh 5pz 0.043418 -0.157304 -0.058715 0.173644 0.022403 -0.375698 1Rh 5px -0.015572 0.407616 -0.213734 0.244787 0.077804 -0.000518 1Rh 5py 0.195437 0.047041 0.051694 -0.035903 -0.232558 -0.098780 1Rh 6pz 0.207704 0.289588 0.446799 -0.367608 -0.265678 0.295470 1Rh 6px 0.067199 -0.558498 0.352301 -0.588008 -0.075871 -0.181500 1Rh 6py -0.116175 0.093342 0.270242 0.029459 0.352837 0.046305 1Rh 1dz2 -0.001963 0.004963 0.006075 -0.003776 0.002844 -0.009089 1Rh 1dxz 0.002530 0.000231 -0.005809 -0.012884 0.002302 0.004289 1Rh 1dyz -0.002053 0.005928 0.005043 -0.001672 -0.004664 -0.005733 1Rh 1dx2y2 -0.000247 -0.004037 -0.000894 0.007488 0.002636 0.011243 1Rh 1dxy 0.006565 -0.009316 0.008225 0.005004 0.006441 0.007748 1Rh 2dz2 0.000418 0.001747 0.001196 -0.001493 -0.000576 0.000854 1Rh 2dxz -0.000316 0.002343 0.000239 -0.001647 -0.000133 -0.001444 1Rh 2dyz -0.000043 0.000444 0.001188 -0.001201 -0.002351 0.002153 1Rh 2dx2y2 -0.001145 -0.002614 0.002436 0.003220 -0.002560 0.000503 1Rh 2dxy -0.001508 -0.000069 -0.000151 0.000396 -0.003181 0.001814 1Rh 3dz2 0.003148 -0.020527 -0.020636 0.016530 -0.004836 0.019807 1Rh 3dxz -0.005263 -0.011089 0.014007 0.040916 -0.005622 -0.004749 1Rh 3dyz 0.005431 -0.017167 -0.018006 0.009712 0.022689 0.005016 1Rh 3dx2y2 0.005740 0.022171 -0.008382 -0.033857 0.004666 -0.031651 1Rh 3dxy -0.010198 0.024389 -0.020552 -0.014840 -0.002745 -0.028240 1Rh 4dz2 0.007203 0.025470 0.008846 -0.023036 -0.008856 0.013851 1Rh 4dxz -0.003373 0.038255 0.003914 -0.026524 0.000781 -0.021147 1Rh 4dyz 0.001326 0.002984 0.008539 -0.018554 -0.036008 0.038676 1Rh 4dx2y2 -0.016409 -0.043570 0.035088 0.049178 -0.040752 0.009506 1Rh 4dxy -0.023444 -0.001114 -0.005434 0.007214 -0.044929 0.026244 1Rh 5dz2 -0.031327 -0.098443 0.076246 0.080251 0.024841 -0.081553 1Rh 5dxz 0.015179 -0.195960 -0.017441 0.107628 -0.011176 0.066539 1Rh 5dyz -0.036714 0.041991 0.130039 0.074531 0.123095 -0.223230 1Rh 5dx2y2 0.039422 0.237649 -0.132592 -0.175661 0.172462 -0.032582 1Rh 5dxy 0.073740 0.037545 0.076780 -0.031077 0.145098 -0.094804 1Rh 1f0 -0.011837 -0.011946 0.051121 0.050332 0.033418 -0.022313 1Rh 1f+1 -0.010934 0.022835 -0.013232 0.009911 -0.122355 -0.078104 1Rh 1f-1 -0.083941 0.051962 0.021185 -0.027198 0.018880 -0.039749 1Rh 1f+2 -0.039218 0.083938 -0.064165 0.047997 0.115510 -0.029867 1Rh 1f-2 -0.073430 0.048755 -0.062212 -0.054643 -0.041659 0.074472 1Rh 1f+3 0.008217 0.071685 -0.003980 -0.023374 0.104115 -0.048686 1Rh 1f-3 -0.089153 0.056614 0.032433 -0.066821 -0.058851 0.071352 2C 1s -0.002338 -0.005000 0.002930 0.002617 0.006851 0.004909 2C 2s -0.007072 -0.015919 0.008079 0.010283 0.026038 0.017303 2C 3s 0.072030 0.012829 0.018326 -0.075839 -0.215885 -0.131724 2C 4s -0.158040 0.523512 -0.458891 -0.018871 0.200299 0.091385 2C 5s 0.324207 0.843814 0.424316 -1.013253 0.917831 0.282963 2C 1pz 0.023601 0.099153 -0.064695 -0.080453 -0.048860 -0.131345 2C 1px -0.076488 -0.027334 -0.145608 0.170476 -0.137918 -0.074052 2C 1py 0.124365 0.082905 0.057274 -0.038066 -0.118180 0.049790 2C 2pz -0.063590 0.157215 -0.151412 0.043964 0.081219 0.249529 2C 2px 0.170362 0.233933 0.319863 -0.255080 0.366756 0.242422 2C 2py -0.241591 0.046173 -0.375963 0.056724 0.252196 -0.121119 2C 3pz -0.022476 0.278999 -0.068265 -0.205846 0.215907 -0.085617 2C 3px -0.031773 -0.020240 0.052747 0.067498 0.107209 -0.056777 2C 3py 0.185220 0.240516 0.065176 -0.199557 -0.022205 0.146789 2C 1dz2 0.001442 -0.028421 0.013824 0.022170 0.017924 0.018364 2C 1dxz 0.015271 -0.024833 -0.035209 -0.013959 -0.006146 -0.025135 2C 1dyz -0.017074 -0.040239 0.020446 0.015697 0.034606 0.029155 2C 1dx2y2 0.022358 0.015158 0.014645 -0.008055 0.017330 0.008257 2C 1dxy -0.008468 -0.014093 -0.004129 -0.009223 -0.001015 -0.009721 2C 2dz2 0.002624 0.146377 -0.037646 -0.070979 -0.093608 0.041769 2C 2dxz -0.002110 0.181975 0.217071 -0.088680 0.144057 0.223759 2C 2dyz -0.029947 0.210688 -0.251657 0.039813 -0.075032 -0.102393 2C 2dx2y2 0.024559 -0.037207 0.040581 0.054207 -0.074780 0.047318 2C 2dxy 0.006781 0.131327 0.038280 -0.015258 0.096805 0.029596 2C 1f0 0.032924 0.023644 0.022674 -0.019446 0.007311 0.015185 2C 1f+1 -0.004128 0.006887 0.016061 0.008640 0.018890 0.008921 2C 1f-1 0.000264 0.020571 -0.034994 -0.014464 -0.035023 -0.022480 2C 1f+2 -0.007137 -0.055503 -0.015173 0.016232 0.008271 0.008173 2C 1f-2 0.015975 0.041580 -0.032856 -0.015969 -0.063046 -0.033420 2C 1f+3 0.004301 -0.050764 -0.010459 0.024200 0.045785 0.033196 2C 1f-3 0.006916 0.004134 0.039186 0.007232 0.048043 0.026805 3C 1s -0.002611 -0.005496 0.000394 -0.001617 -0.002894 0.007862 3C 2s -0.007823 -0.017116 0.002392 -0.005708 -0.010462 0.028731 3C 3s 0.073252 0.020809 -0.005447 0.041835 0.079345 -0.249861 3C 4s -0.147734 0.544476 -0.026763 -0.037331 -0.081949 0.295033 3C 5s 0.774590 0.360976 -0.624660 -1.209861 -1.188094 0.810574 3C 1pz 0.187907 0.023208 -0.116892 -0.091712 -0.107777 -0.007717 3C 1px 0.002278 0.064311 0.050586 0.153823 -0.000827 0.006006 3C 1py 0.022684 -0.126632 -0.025170 -0.037970 -0.120132 0.196353 3C 2pz -0.454986 0.193066 0.364080 0.179837 0.252808 -0.083591 3C 2px 0.108535 -0.033334 -0.158775 -0.219063 -0.089381 0.060071 3C 2py -0.083185 -0.132871 0.104521 0.155109 0.313318 -0.424692 3C 3pz 0.229494 0.206519 -0.129057 -0.180892 -0.293255 0.024578 3C 3px 0.092382 0.007801 -0.081606 -0.070420 -0.152356 0.148884 3C 3py -0.041013 -0.204384 0.090897 0.196505 0.098062 -0.126264 3C 1dz2 0.002484 0.010661 -0.001544 0.010068 -0.008207 -0.010671 3C 1dxz -0.036091 -0.007980 0.012198 -0.010085 0.030326 -0.008316 3C 1dyz 0.009367 0.044464 0.006387 0.004498 0.027610 -0.044474 3C 1dx2y2 -0.005636 0.016414 -0.033085 -0.020655 -0.002509 -0.009820 3C 1dxy 0.022525 0.015568 -0.014938 0.014474 -0.014953 0.009339 3C 2dz2 -0.118436 -0.031054 0.141053 0.058130 0.123976 -0.070846 3C 2dxz 0.046326 0.040650 -0.005657 -0.045753 -0.005761 -0.021524 3C 2dyz 0.112952 -0.275047 -0.094697 -0.125261 -0.168458 0.131825 3C 2dx2y2 -0.012322 -0.106050 0.127620 0.105470 0.132568 -0.078380 3C 2dxy -0.114251 -0.057970 0.128732 0.028083 0.141035 -0.102789 3C 1f0 0.003837 -0.002589 -0.045849 -0.012855 -0.000333 0.012238 3C 1f+1 0.029215 -0.006615 -0.039201 -0.009724 -0.026138 0.021005 3C 1f-1 0.017933 0.022587 -0.003276 0.024655 0.002419 -0.040848 3C 1f+2 -0.013883 -0.067758 0.015182 -0.008225 -0.030051 0.072959 3C 1f-2 -0.017144 -0.036029 0.035658 -0.008946 0.005760 0.018416 3C 1f+3 -0.008253 0.005505 -0.004163 -0.005486 0.017436 0.006580 3C 1f-3 -0.031247 0.017698 0.025924 0.012632 0.036905 -0.029078 4C 1s -0.000887 -0.007699 -0.006475 -0.000271 -0.011936 -0.004224 4C 2s -0.001323 -0.025230 -0.019498 -0.002827 -0.040219 -0.014526 4C 3s -0.011186 0.196505 -0.223951 0.277346 0.167639 -0.172797 4C 4s 0.067382 -0.414367 2.113615 -1.374016 0.831290 1.588301 4C 5s -0.181103 -0.340525 0.371406 0.109743 0.515597 0.565567 4C 1pz 0.000646 -0.058175 0.120547 0.070341 0.069861 0.059366 4C 1px 0.113001 -0.048216 0.044573 -0.080995 0.141842 -0.008257 4C 1py -0.120127 -0.078267 0.014721 0.037331 0.107529 -0.036113 4C 2pz -0.066803 0.504673 0.178199 -1.021670 0.414582 0.149184 4C 2px -0.845433 0.332647 -0.464649 1.887118 -0.647271 0.612319 4C 2py 0.391656 0.503927 0.157636 -0.001902 -0.067688 0.558838 4C 3pz 0.115369 0.144991 0.631265 -0.790411 1.369020 0.576836 4C 3px -0.138068 -0.030406 -0.303083 0.549092 -0.039260 0.363214 4C 3py -0.149544 0.024974 0.206867 -0.099885 0.997258 0.223033 4C 1dz2 -0.005317 -0.028741 -0.016748 0.027379 0.015370 0.011749 4C 1dxz -0.008659 -0.006289 0.012229 -0.017659 0.001513 0.004036 4C 1dyz -0.007418 -0.034644 0.000467 0.004562 0.016221 0.020869 4C 1dx2y2 0.017746 0.007393 -0.010658 -0.006521 -0.000979 -0.004100 4C 1dxy -0.012516 -0.005914 0.004530 -0.014479 -0.013383 -0.007239 4C 2dz2 0.026225 -0.238688 0.207284 -0.256427 0.007744 -0.036252 4C 2dxz -0.334494 0.134356 0.100490 0.704903 -0.017316 0.217313 4C 2dyz 0.055874 -0.219886 0.210107 0.004821 0.190266 0.011383 4C 2dx2y2 -0.200278 0.167346 0.164675 -0.279984 0.114745 0.255350 4C 2dxy -0.024314 0.152622 0.335785 0.292686 0.008219 0.532387 4C 1f0 0.036134 -0.004275 -0.006425 0.015519 -0.005900 0.004785 4C 1f+1 0.022377 -0.002491 -0.029736 0.001590 -0.010909 -0.010577 4C 1f-1 -0.000664 -0.006781 0.018561 0.004687 0.017252 -0.000917 4C 1f+2 0.050349 0.006655 0.044537 -0.057826 -0.002687 0.023471 4C 1f-2 0.017437 0.004967 0.002164 0.012832 0.009147 -0.004464 4C 1f+3 -0.026504 -0.013156 0.001421 -0.029582 0.012523 -0.019469 4C 1f-3 0.007468 -0.004313 -0.017860 -0.016876 -0.012653 -0.035795 5C 1s -0.002870 -0.001333 0.009628 0.003084 0.004861 -0.008499 5C 2s -0.007021 -0.005230 0.030840 0.009313 0.014836 -0.028843 5C 3s -0.089058 0.255964 0.004832 0.215967 0.192403 0.079534 5C 4s 0.689759 -1.486412 -1.115866 -1.632850 -1.722135 0.883825 5C 5s -0.150465 -0.474506 -0.160160 -0.327215 -0.426526 0.795738 5C 1pz -0.137843 -0.081275 0.017168 0.055053 0.063575 0.059176 5C 1px -0.083846 0.020080 -0.058353 -0.102674 -0.065119 -0.006657 5C 1py -0.049881 0.126541 0.036739 0.013084 0.045815 -0.127659 5C 2pz 0.623105 0.302870 -0.335632 -0.932390 -0.460611 -0.176100 5C 2px 0.434233 -0.292722 0.049376 1.689421 -0.277433 1.062575 5C 2py 0.133599 -0.355712 0.465783 0.691354 0.328106 -0.035161 5C 3pz 0.098924 -0.197222 -0.195287 -0.847955 -0.458079 0.882096 5C 3px -0.034016 -0.003280 -0.036448 0.245041 -0.464029 0.916715 5C 3py -0.398835 0.246934 0.370569 1.207121 1.266707 -1.413299 5C 1dz2 0.002249 0.005790 -0.022082 0.016854 -0.010065 -0.000693 5C 1dxz -0.018033 -0.016299 -0.000098 -0.008326 0.025661 -0.001198 5C 1dyz 0.014533 0.019529 -0.010055 -0.005625 0.008861 -0.015651 5C 1dx2y2 0.022173 0.014135 -0.004436 -0.008616 0.012432 -0.022046 5C 1dxy -0.002214 0.019586 -0.023625 0.013667 -0.008215 0.007835 5C 2dz2 -0.177138 0.248003 0.354698 0.059838 0.495503 -0.427166 5C 2dxz 0.230436 -0.123047 0.109604 0.499290 0.021733 0.175396 5C 2dyz -0.008977 0.158148 0.007498 0.353151 0.018630 0.071681 5C 2dx2y2 0.268153 0.023657 0.027407 0.156424 -0.207814 0.137427 5C 2dxy -0.183580 0.341901 0.008030 -0.515835 0.010628 -0.380778 5C 1f0 0.013756 0.019424 0.008749 0.028352 -0.011940 -0.006995 5C 1f+1 -0.002191 0.012624 0.019881 -0.011886 0.038506 -0.036422 5C 1f-1 0.061700 0.003350 0.002824 0.000207 -0.015415 -0.003250 5C 1f+2 -0.018397 0.004877 0.009057 -0.022073 0.014557 -0.025253 5C 1f-2 0.035587 -0.005220 -0.012013 -0.037249 -0.015440 -0.014813 5C 1f+3 0.007434 0.009597 0.014380 -0.014484 0.011932 -0.009648 5C 1f-3 -0.003995 -0.013705 -0.031594 -0.020168 -0.001732 -0.002740 6C 1s -0.002880 -0.001604 0.009868 -0.002780 -0.005128 0.009275 6C 2s -0.007106 -0.006069 0.031674 -0.008280 -0.015782 0.031559 6C 3s -0.076136 0.252561 -0.004714 -0.226535 -0.208172 -0.114131 6C 4s 0.620859 -1.434894 -1.101975 1.662487 1.865993 -0.735297 6C 5s -0.172017 -0.463962 -0.150939 0.334911 0.532105 -0.402680 6C 1pz 0.136936 0.082041 -0.016443 0.054078 0.055824 0.016403 6C 1px 0.080284 -0.020376 0.061290 -0.098435 -0.063403 -0.011247 6C 1py 0.050723 -0.124081 -0.039099 0.014606 0.053734 -0.085091 6C 2pz -0.612276 -0.324462 0.349608 -0.924613 -0.447032 -0.011425 6C 2px -0.416452 0.308867 -0.106391 1.672459 -0.304645 1.086220 6C 2py -0.151997 0.375071 -0.469602 0.673258 0.320553 -0.210661 6C 3pz -0.081478 0.174332 0.222972 -0.849097 -0.485945 0.355742 6C 3px 0.044744 -0.001147 0.023571 0.246634 -0.491262 0.612571 6C 3py 0.373699 -0.207236 -0.395964 1.206563 1.312892 -0.597356 6C 1dz2 0.003384 0.005703 -0.021189 -0.017506 0.009610 -0.005410 6C 1dxz -0.018492 -0.016109 -0.000884 0.008414 -0.024253 0.003327 6C 1dyz 0.014172 0.019746 -0.010254 0.005023 -0.008502 0.014750 6C 1dx2y2 0.021963 0.014508 -0.004644 0.008602 -0.014941 0.014799 6C 1dxy -0.002365 0.019412 -0.023191 -0.014877 0.007056 -0.014507 6C 2dz2 -0.164472 0.236367 0.345184 -0.058508 -0.496038 0.441714 6C 2dxz 0.244296 -0.135481 0.114867 -0.489552 -0.016489 -0.103864 6C 2dyz -0.008449 0.155121 0.014397 -0.357210 -0.042435 -0.205232 6C 2dx2y2 0.261472 0.025012 0.038443 -0.147507 0.220353 -0.241036 6C 2dxy -0.182608 0.349336 -0.002310 0.506723 -0.025137 0.260485 6C 1f0 -0.013999 -0.018497 -0.009941 0.028147 -0.010110 0.005387 6C 1f+1 0.002193 -0.012187 -0.018902 -0.012112 0.040581 -0.032492 6C 1f-1 -0.061838 -0.003426 -0.003193 -0.000469 -0.014881 0.004003 6C 1f+2 0.019295 -0.005354 -0.008773 -0.022201 0.014167 -0.021733 6C 1f-2 -0.035094 0.004400 0.012267 -0.038001 -0.017411 -0.011510 6C 1f+3 -0.008231 -0.009650 -0.013062 -0.014730 0.014022 -0.010966 6C 1f-3 0.004642 0.013100 0.031260 -0.019666 -0.003828 -0.003690 7C 1s -0.001007 -0.007717 -0.006032 0.000194 0.012377 0.003037 7C 2s -0.001827 -0.025252 -0.018140 0.002643 0.041532 0.010714 7C 3s 0.011577 0.195469 -0.214750 -0.291432 -0.174080 0.238680 7C 4s -0.038293 -0.412323 2.007749 1.473061 -0.839153 -1.907301 7C 5s -0.206407 -0.341033 0.358393 -0.072845 -0.493154 -1.141649 7C 1pz -0.005001 0.059966 -0.119059 0.064151 0.073528 0.103097 7C 1px -0.109334 0.046906 -0.038565 -0.082990 0.143114 0.006729 7C 1py 0.118112 0.078144 -0.015382 0.035470 0.114409 0.005125 7C 2pz 0.093372 -0.517562 -0.128124 -1.010518 0.411287 -0.060634 7C 2px 0.823233 -0.299077 0.409830 1.905402 -0.667177 0.593784 7C 2py -0.381595 -0.500235 -0.140493 -0.000665 -0.087595 0.413247 7C 3pz -0.090623 -0.142065 -0.548255 -0.807359 1.444417 1.326300 7C 3px 0.138218 0.038495 0.300002 0.559553 -0.054295 0.538999 7C 3py 0.159242 -0.019274 -0.165788 -0.108153 1.046792 0.769122 7C 1dz2 -0.004772 -0.028825 -0.016298 -0.027150 -0.015594 -0.024085 7C 1dxz -0.008209 -0.005952 0.011977 0.018526 -0.001937 -0.009089 7C 1dyz -0.007954 -0.034864 0.000572 -0.003771 -0.014585 -0.027185 7C 1dx2y2 0.017649 0.007531 -0.011260 0.006192 0.000502 0.007143 7C 1dxy -0.011757 -0.005927 0.004944 0.014541 0.012937 0.008543 7C 2dz2 0.024577 -0.234425 0.192030 0.264013 -0.003129 -0.057832 7C 2dxz -0.320244 0.119445 0.117560 -0.707924 -0.000708 -0.210917 7C 2dyz 0.049604 -0.220811 0.214841 0.010845 -0.212729 -0.208712 7C 2dx2y2 -0.215672 0.167656 0.136896 0.277640 -0.106529 -0.152442 7C 2dxy -0.030061 0.146469 0.332026 -0.279444 -0.013059 -0.508793 7C 1f0 -0.036438 0.004561 0.006113 0.015562 -0.006968 0.002922 7C 1f+1 -0.023348 0.002515 0.029283 0.002383 -0.012137 -0.015456 7C 1f-1 -0.001283 0.006976 -0.018371 0.003969 0.018817 0.006861 7C 1f+2 -0.048655 -0.007583 -0.042681 -0.059886 -0.003520 0.022946 7C 1f-2 -0.018220 -0.004804 -0.002796 0.012899 0.009105 -0.002470 7C 1f+3 0.026075 0.012583 -0.000656 -0.029572 0.014038 -0.015969 7C 1f-3 -0.008111 0.004263 0.016812 -0.015793 -0.013178 -0.043465 8C 1s -0.002596 -0.005415 0.000341 0.001707 0.003395 -0.003678 8C 2s -0.007765 -0.016861 0.002100 0.006030 0.012048 -0.014569 8C 3s 0.072593 0.017729 -0.002962 -0.041161 -0.084838 0.166354 8C 4s -0.148616 0.553544 -0.027035 0.022370 0.056756 -0.364951 8C 5s 0.742657 0.401437 -0.650152 1.194378 1.166942 -0.488191 8C 1pz -0.184367 -0.028049 0.116872 -0.089370 -0.098737 0.042048 8C 1px -0.001093 -0.060875 -0.055484 0.154194 0.001836 0.031933 8C 1py -0.020774 0.123373 0.025308 -0.039265 -0.124343 0.146140 8C 2pz 0.445970 -0.182411 -0.364104 0.176542 0.239137 -0.123255 8C 2px -0.113078 0.025717 0.166611 -0.217631 -0.084470 0.072474 8C 2py 0.072538 0.144968 -0.106190 0.148394 0.292743 -0.499186 8C 3pz -0.222656 -0.215286 0.127995 -0.174794 -0.282254 0.085252 8C 3px -0.091133 -0.008818 0.085128 -0.069209 -0.147896 0.089329 8C 3py 0.037539 0.212049 -0.097019 0.189972 0.086664 -0.057854 8C 1dz2 0.002462 0.010472 -0.000921 -0.010367 0.007273 0.008758 8C 1dxz -0.037092 -0.007899 0.011523 0.010027 -0.029646 0.013216 8C 1dyz 0.009517 0.044144 0.006667 -0.005024 -0.029860 0.030583 8C 1dx2y2 -0.006703 0.017509 -0.032894 0.018948 0.000820 0.001456 8C 1dxy 0.022305 0.015530 -0.014775 -0.014952 0.013516 -0.018131 8C 2dz2 -0.114461 -0.035664 0.140310 -0.052936 -0.111708 0.125589 8C 2dxz 0.048402 0.041445 -0.007596 0.046303 0.005874 0.015309 8C 2dyz 0.109987 -0.271151 -0.096777 0.130382 0.176269 -0.065650 8C 2dx2y2 -0.006354 -0.112598 0.125245 -0.097732 -0.119825 0.128740 8C 2dxy -0.113374 -0.061837 0.128625 -0.026019 -0.133849 0.149781 8C 1f0 -0.003167 0.001365 0.046316 -0.011050 0.000675 0.013729 8C 1f+1 -0.029153 0.006819 0.038552 -0.009080 -0.025633 0.023366 8C 1f-1 -0.019415 -0.021881 0.001514 0.024843 0.003389 -0.030544 8C 1f+2 0.013556 0.067421 -0.014149 -0.009894 -0.034505 0.040616 8C 1f-2 0.017267 0.036936 -0.034910 -0.011069 0.002139 -0.000392 8C 1f+3 0.009406 -0.005400 0.004755 -0.005061 0.017762 0.012179 8C 1f-3 0.032178 -0.016781 -0.026877 0.012514 0.036702 -0.027046 9C 1s -0.002277 -0.005058 0.002812 -0.002380 -0.006991 -0.009703 9C 2s -0.006788 -0.016171 0.007686 -0.009561 -0.026466 -0.033468 9C 3s 0.066086 0.014393 0.022444 0.076184 0.216828 0.217866 9C 4s -0.139363 0.525901 -0.469665 -0.011367 -0.183478 0.023557 9C 5s 0.286844 0.842600 0.336222 0.997371 -1.003133 -0.415485 9C 1pz -0.020611 -0.101390 0.061475 -0.076547 -0.044371 -0.191289 9C 1px 0.075495 0.029662 0.136535 0.173944 -0.143366 -0.062135 9C 1py -0.122783 -0.082942 -0.051902 -0.037361 -0.125382 -0.009516 9C 2pz 0.053944 -0.151905 0.166412 0.057855 0.053174 0.176867 9C 2px -0.168792 -0.236106 -0.298993 -0.257068 0.380578 0.133443 9C 2py 0.235307 -0.050381 0.364691 0.068364 0.260838 -0.102021 9C 3pz 0.027078 -0.280790 0.085334 -0.194221 0.231180 -0.103208 9C 3px 0.029587 0.023868 -0.052255 0.065047 0.121827 0.030450 9C 3py -0.181766 -0.239227 -0.049373 -0.193800 -0.012740 0.113597 9C 1dz2 0.001440 -0.028513 0.014817 -0.020635 -0.017688 -0.029603 9C 1dxz 0.015510 -0.024171 -0.034144 0.014011 0.008455 0.014499 9C 1dyz -0.016970 -0.040908 0.019860 -0.014052 -0.035163 -0.047877 9C 1dx2y2 0.021826 0.015491 0.013616 0.008472 -0.017972 -0.003042 9C 1dxy -0.007633 -0.013800 -0.004089 0.009242 0.001354 0.004634 9C 2dz2 0.004490 0.144097 -0.046959 0.061507 0.106760 0.035586 9C 2dxz -0.003454 0.180535 0.204542 0.090898 -0.153377 -0.144825 9C 2dyz -0.024921 0.213261 -0.246327 -0.052551 0.080130 0.183619 9C 2dx2y2 0.024183 -0.040125 0.040284 -0.052556 0.082268 -0.047524 9C 2dxy 0.006463 0.130747 0.035738 0.010717 -0.101822 0.026064 9C 1f0 -0.031853 -0.024284 -0.022184 -0.020147 0.008561 0.003556 9C 1f+1 0.003513 -0.007130 -0.015774 0.008487 0.020192 0.007320 9C 1f-1 -0.000407 -0.020449 0.033669 -0.012459 -0.036438 -0.039997 9C 1f+2 0.007052 0.057212 0.012939 0.015694 0.008138 0.038580 9C 1f-2 -0.015627 -0.041409 0.031795 -0.013727 -0.063783 -0.055208 9C 1f+3 -0.003935 0.050703 0.010737 0.022009 0.042504 0.058155 9C 1f-3 -0.007023 -0.001594 -0.037639 0.007167 0.052698 0.030997 10H 1s 0.026272 0.128756 0.079950 0.015741 -0.006452 0.027520 10H 2s -0.168323 -0.318454 -0.104528 0.083980 0.059340 0.058598 10H 3s 0.028751 0.119911 0.000424 -0.039197 -0.029492 0.008401 10H 1pz -0.053416 0.029529 -0.102969 0.061209 -0.057836 -0.069586 10H 1px -0.032184 0.026507 -0.112941 0.104677 -0.086619 -0.064117 10H 1py 0.018888 0.025286 -0.009008 0.070388 -0.080236 0.040869 11H 1s 0.066060 0.073328 -0.077745 -0.079056 -0.140468 -0.085003 11H 2s -0.024669 -0.168205 0.179934 0.151707 0.293361 0.180110 11H 3s -0.095767 -0.089590 -0.188994 0.125033 -0.029833 -0.193251 11H 1pz 0.116538 0.128138 0.107118 -0.135188 0.057755 0.069076 11H 1px -0.027445 -0.013707 -0.094836 0.127827 -0.078534 -0.025454 11H 1py 0.083287 0.112572 0.070527 -0.055984 -0.072318 0.110144 12H 1s -0.043074 0.089970 -0.036007 -0.073899 -0.147086 -0.115573 12H 2s 0.008994 -0.243260 0.024820 0.143453 0.332026 0.188117 12H 3s -0.017982 0.003267 -0.051242 0.094091 -0.229123 -0.027464 12H 1pz -0.063580 0.115291 -0.053033 -0.066143 0.057381 -0.099113 12H 1px -0.047615 -0.015056 -0.159386 0.142145 -0.097444 -0.067054 12H 1py 0.019482 0.038200 0.037554 -0.054467 0.054092 0.027072 13H 1s 0.094584 0.048970 -0.130075 0.048103 -0.087012 0.008956 13H 2s -0.226726 -0.173307 0.300561 -0.046804 0.059461 0.124646 13H 3s 0.040452 0.107343 -0.059264 0.043049 -0.002436 -0.111162 13H 1pz 0.051329 -0.002681 -0.022499 0.004180 -0.077566 0.071759 13H 1px -0.022524 0.066023 0.000014 0.123134 -0.000673 0.029242 13H 1py 0.097613 -0.116639 -0.057707 -0.104309 -0.071922 0.070250 14H 1s -0.044037 0.080416 -0.054634 -0.040476 0.105839 -0.104578 14H 2s -0.041056 -0.232874 0.105727 0.018876 -0.166272 0.212117 14H 3s -0.063250 0.049322 -0.018565 0.083622 0.067547 0.012840 14H 1pz 0.064175 -0.035268 -0.099458 -0.140374 -0.060585 0.031309 14H 1px -0.046967 0.034831 0.054061 0.102215 0.022022 -0.012688 14H 1py 0.079770 -0.099071 -0.005946 0.007402 -0.129361 0.098418 15H 1s 0.029780 0.115216 0.040642 0.052928 0.063196 -0.174970 15H 2s 0.052524 -0.256914 -0.085316 -0.098849 -0.130138 0.383697 15H 3s -0.186866 0.022088 0.182857 0.187859 0.251538 -0.123215 15H 1pz 0.155398 0.022041 -0.133250 -0.100986 -0.147675 0.036448 15H 1px 0.023214 0.050832 -0.002649 0.097546 -0.050283 0.050411 15H 1py -0.152893 -0.045126 0.109057 0.096091 0.090164 -0.016098 16H 1s -0.008716 0.184659 -0.108669 0.067095 -0.003082 0.062565 16H 2s 0.024840 -0.489532 0.267002 -0.188580 0.028536 -0.124090 16H 3s 0.016395 0.145868 -0.151788 0.144315 -0.100262 0.077502 16H 1pz -0.019334 -0.093595 0.177166 -0.023253 0.069581 -0.041841 16H 1px 0.012313 -0.197900 -0.067804 0.012604 -0.146279 -0.192904 16H 1py 0.010100 -0.292684 -0.006389 -0.076175 -0.091126 -0.154156 17H 1s -0.020388 0.204961 -0.048126 0.059102 -0.023404 0.042446 17H 2s 0.037909 -0.524953 0.141335 -0.102417 0.057141 -0.206848 17H 3s -0.013707 0.195700 0.001305 0.116069 -0.071382 0.122599 17H 1pz -0.021044 0.180431 -0.024794 0.061019 0.022377 -0.013794 17H 1px 0.009282 -0.010120 0.161187 -0.015971 -0.063662 0.061216 17H 1py 0.019530 -0.281499 0.156334 -0.051652 0.018061 -0.025428 18H 1s -0.020501 0.202884 -0.048525 -0.064894 0.025148 -0.049456 18H 2s 0.040428 -0.520622 0.147449 0.114302 -0.061113 0.225393 18H 3s -0.013513 0.193099 0.000157 -0.119874 0.068306 -0.148497 18H 1pz 0.020480 -0.184524 0.030078 0.066944 0.023051 -0.002228 18H 1px -0.008905 0.010300 -0.157141 -0.018311 -0.053446 0.061316 18H 1py -0.019723 0.278012 -0.154597 -0.057583 0.027507 -0.030373 19H 1s -0.008208 0.182652 -0.108388 -0.075258 0.009411 -0.063151 19H 2s 0.022227 -0.483892 0.265835 0.209179 -0.048069 0.135175 19H 3s 0.017545 0.144621 -0.145253 -0.151700 0.113989 -0.064327 19H 1pz 0.019726 0.087969 -0.175617 -0.029954 0.079449 -0.035254 19H 1px -0.015470 0.193865 0.067155 0.013624 -0.145728 -0.191955 19H 1py -0.008696 0.292691 0.005608 -0.083916 -0.089316 -0.164148 20H 1s 0.032681 0.112890 0.043672 -0.052855 -0.067353 0.134148 20H 2s 0.047028 -0.251707 -0.092918 0.100961 0.134167 -0.305104 20H 3s -0.176845 0.013884 0.184493 -0.184927 -0.247041 0.185578 20H 1pz -0.152450 -0.027874 0.131931 -0.097425 -0.140354 0.064244 20H 1px -0.021260 -0.050139 -0.001616 0.099263 -0.045602 0.077863 20H 1py 0.150855 0.048960 -0.110488 0.094244 0.082449 -0.047711 21H 1s -0.048638 0.082611 -0.054356 0.035162 -0.112671 0.064236 21H 2s -0.032222 -0.235402 0.104445 -0.010600 0.183505 -0.090034 21H 3s -0.065836 0.048286 -0.016659 -0.086489 -0.071696 -0.043195 21H 1pz -0.061938 0.030370 0.102146 -0.138251 -0.058456 0.018406 21H 1px 0.046180 -0.032589 -0.057456 0.102840 0.021463 -0.006782 21H 1py -0.078559 0.098143 0.004335 0.005324 -0.128983 0.089526 22H 1s 0.095851 0.049607 -0.126766 -0.052276 0.080090 -0.051807 22H 2s -0.229277 -0.176306 0.295911 0.058349 -0.037100 -0.002252 22H 3s 0.042769 0.109318 -0.055266 -0.047935 -0.006854 0.020435 22H 1pz -0.049678 0.000989 0.021494 0.004476 -0.076741 0.067044 22H 1px 0.022464 -0.064468 -0.004505 0.125669 0.001827 0.041947 22H 1py -0.094386 0.111952 0.059895 -0.106242 -0.070499 0.059313 23H 1s -0.041463 0.091224 -0.036641 0.067767 0.148324 0.170345 23H 2s 0.006757 -0.244711 0.025760 -0.133979 -0.336124 -0.334458 23H 3s -0.007759 0.000804 -0.044719 -0.096134 0.237158 0.029279 23H 1pz 0.063185 -0.117145 0.051533 -0.061130 0.067735 -0.125852 23H 1px 0.046605 0.015890 0.150991 0.146651 -0.103750 -0.062579 23H 1py -0.018014 -0.039408 -0.031677 -0.053087 0.056803 0.019364 24H 1s 0.065041 0.076268 -0.074068 0.076912 0.142910 0.126583 24H 2s -0.021271 -0.174745 0.171751 -0.145196 -0.295087 -0.271340 24H 3s -0.089349 -0.087622 -0.175519 -0.126109 0.032628 0.127514 24H 1pz -0.114531 -0.128861 -0.098774 -0.135801 0.062715 0.023343 24H 1px 0.026969 0.016087 0.090591 0.130490 -0.084728 -0.026625 24H 1py -0.082535 -0.113200 -0.062253 -0.054468 -0.077426 0.058773 25H 1s 0.024139 0.128586 0.076742 -0.017423 -0.000158 0.034701 25H 2s -0.163858 -0.321867 -0.098249 -0.077880 -0.046914 -0.221586 25H 3s 0.028004 0.122781 -0.001503 0.035224 0.033944 0.101753 25H 1pz 0.053211 -0.028484 0.097332 0.065559 -0.058577 -0.064963 25H 1px 0.031272 -0.025775 0.107666 0.108789 -0.090301 -0.070076 25H 1py -0.020473 -0.024862 0.010718 0.070930 -0.086664 0.036999 26O 1s -0.000797 0.006439 0.000886 0.002892 -0.003056 0.004789 26O 2s -0.000918 0.017055 0.003128 0.006024 -0.005362 0.012794 26O 3s -0.029330 -0.026489 -0.016310 0.031374 -0.041795 -0.011961 26O 4s 0.200623 -0.350769 0.083773 -0.356926 0.441452 -0.254119 26O 5s 0.462865 0.132878 -0.981841 -0.687013 -1.083311 -1.390425 26O 1pz 0.035056 -0.021223 -0.033771 -0.032885 -0.079852 -0.051873 26O 1px 0.002079 0.017992 0.092370 0.030587 0.094985 0.074923 26O 1py -0.016477 0.003889 0.004599 -0.018323 0.016203 -0.002594 26O 2pz -0.031905 -0.005337 0.037000 -0.008562 0.093132 0.066057 26O 2px -0.150937 0.156613 0.061121 0.207166 -0.141485 0.243014 26O 2py -0.044331 0.061919 0.061211 0.079326 -0.028287 0.134106 26O 3pz 0.146371 0.223947 -0.419155 0.304970 -0.433067 0.068033 26O 3px -0.030385 0.025751 0.260982 0.529614 0.363017 0.876967 26O 3py -0.395403 0.139723 -0.249782 0.338305 -0.024024 0.233972 26O 1dz2 0.002881 0.000142 -0.001647 0.001462 -0.003758 -0.000270 26O 1dxz -0.000102 -0.000194 -0.003016 0.000739 -0.001532 -0.001093 26O 1dyz -0.001203 0.000987 -0.002309 0.003567 -0.003066 -0.003253 26O 1dx2y2 -0.003432 0.002260 0.001279 -0.000455 -0.000895 0.001840 26O 1dxy 0.003375 0.002753 -0.001789 0.000588 -0.002058 0.000413 26O 2dz2 -0.026052 0.141725 -0.018814 0.215853 0.066334 0.127634 26O 2dxz -0.124007 -0.032265 0.110078 -0.033928 0.147615 0.022078 26O 2dyz -0.115233 0.153871 -0.013465 0.157828 -0.010305 0.044131 26O 2dx2y2 -0.209240 -0.058644 -0.249788 -0.115590 -0.192210 -0.308376 26O 2dxy 0.319076 -0.037295 -0.090052 -0.078495 -0.170025 -0.131625 26O 1f0 0.003789 0.000860 -0.000482 0.002182 0.003460 -0.002562 26O 1f+1 0.001520 -0.004390 -0.001089 -0.004389 0.009561 -0.006764 26O 1f-1 -0.000355 -0.000993 -0.001980 0.000800 0.003230 -0.000645 26O 1f+2 0.000758 -0.002789 -0.000042 -0.000772 0.000123 -0.002825 26O 1f-2 -0.001140 0.000460 0.005506 -0.001047 -0.003415 0.005758 26O 1f+3 0.001635 -0.003355 0.002127 -0.004117 0.000809 -0.001479 26O 1f-3 0.005285 -0.005059 -0.000030 -0.006520 0.009443 -0.003384 27O 1s 0.005453 0.002099 -0.001328 0.004153 -0.002237 0.000430 27O 2s 0.014274 0.006084 -0.004796 0.008235 -0.006763 0.000870 27O 3s -0.019450 -0.030380 0.026852 0.047538 0.015402 0.014023 27O 4s -0.273179 -0.050790 -0.077722 -0.547028 0.073484 -0.003646 27O 5s -0.395569 1.257531 0.708580 0.043555 1.322706 -2.354496 27O 1pz -0.026601 0.015691 0.023191 -0.013396 0.004728 -0.078120 27O 1px 0.033433 -0.040724 -0.070697 -0.025314 -0.087322 0.106834 27O 1py -0.008194 -0.021273 -0.017903 -0.014188 -0.012009 0.040918 27O 2pz -0.007808 -0.009581 -0.022763 -0.058781 -0.011131 0.050676 27O 2px 0.194599 -0.141042 -0.021421 0.251619 -0.125044 0.194463 27O 2py -0.010131 0.067667 0.029492 0.025104 0.074051 -0.085131 27O 3pz -0.324671 0.299396 0.070659 0.230954 0.190248 -0.291635 27O 3px 0.115139 -0.329001 -0.482718 0.307336 -0.876770 1.055726 27O 3py -0.117390 -0.373542 -0.026448 -0.409509 0.197606 0.088400 27O 1dz2 -0.002701 -0.001821 -0.002062 -0.001071 0.001009 -0.000856 27O 1dxz 0.002063 0.003338 -0.000018 0.001280 -0.002915 -0.000927 27O 1dyz -0.000076 -0.002642 -0.000341 -0.004487 -0.002141 0.000259 27O 1dx2y2 0.002704 -0.003419 0.000894 -0.001960 0.001137 -0.000138 27O 1dxy 0.002988 -0.002841 0.001481 -0.001508 0.001356 -0.001583 27O 2dz2 -0.016904 -0.140499 -0.250294 -0.041053 -0.208925 0.252032 27O 2dxz 0.349913 -0.025216 -0.047424 0.015317 -0.193499 0.106092 27O 2dyz -0.107634 -0.140426 -0.036176 -0.213072 0.038625 -0.019226 27O 2dx2y2 -0.029253 0.044526 0.210172 -0.100754 0.243342 -0.331212 27O 2dxy 0.108991 0.020343 0.079482 0.061249 -0.018625 -0.031368 27O 1f0 -0.000219 0.001544 -0.000208 0.001188 -0.000632 0.001237 27O 1f+1 -0.003678 0.002110 -0.003499 -0.008029 -0.004206 0.001471 27O 1f-1 0.004640 -0.003047 0.000760 0.000016 0.001496 -0.000206 27O 1f+2 -0.002585 -0.001170 0.001251 -0.003707 0.004398 -0.003960 27O 1f-2 -0.002158 0.002253 0.001442 0.000269 0.000840 -0.001997 27O 1f+3 -0.006575 0.000040 0.002352 -0.007591 0.004956 -0.004717 27O 1f-3 0.002628 -0.004625 0.001817 0.002637 -0.001526 0.003672 28O 1s 0.004969 0.004043 0.000208 -0.008143 -0.000171 -0.001837 28O 2s 0.012143 0.011681 0.000938 -0.018450 -0.000555 -0.003019 28O 3s -0.001833 -0.046960 -0.003009 -0.048546 0.002540 -0.026967 28O 4s -0.309572 -0.023232 0.171557 0.746112 0.147765 0.307758 28O 5s -0.173454 0.392568 -1.667532 1.871920 -1.854295 -0.692474 28O 1pz 0.007331 0.013517 0.031894 -0.055796 0.038673 -0.003511 28O 1px -0.008113 -0.003981 -0.089676 0.044783 -0.088377 -0.058811 28O 1py 0.006506 0.004564 0.010654 -0.013056 -0.044939 0.021951 28O 2pz 0.081762 -0.033879 0.084515 -0.307387 0.113782 0.049323 28O 2px -0.159737 0.047797 -0.019886 0.423648 -0.041093 0.093817 28O 2py 0.019947 -0.005773 0.038983 -0.033425 0.088745 0.044653 28O 3pz 0.273486 0.312411 0.375069 -1.122247 0.236097 -0.045678 28O 3px -0.016390 0.061705 -0.807698 0.978739 -0.646372 -0.303690 28O 3py -0.059257 0.239443 0.049248 -0.338767 -0.247131 -0.019135 28O 1dz2 0.002925 0.003993 0.002751 -0.006561 0.001453 -0.000214 28O 1dxz 0.001367 -0.000501 0.001691 0.000708 -0.000084 0.000976 28O 1dyz 0.000938 0.004956 0.001947 -0.005286 0.001422 -0.005500 28O 1dx2y2 0.005057 -0.003700 -0.002008 0.000832 0.001513 0.000591 28O 1dxy -0.002365 -0.000455 0.000058 0.000115 0.001964 0.000424 28O 2dz2 0.036934 0.015911 0.024282 -0.032641 0.001144 0.060107 28O 2dxz 0.175941 0.089751 0.236510 -0.385904 0.239948 0.081368 28O 2dyz 0.124416 0.090954 -0.144755 -0.098170 -0.000644 -0.177621 28O 2dx2y2 0.130074 -0.078307 -0.290821 0.209884 -0.157899 -0.129284 28O 2dxy -0.123153 0.070064 0.006492 -0.119341 -0.015997 0.022387 28O 1f0 -0.001316 -0.000935 -0.001388 0.010604 -0.001960 0.001392 28O 1f+1 -0.002537 0.003524 -0.002609 0.007936 -0.004730 -0.001125 28O 1f-1 0.003762 -0.000062 0.001212 -0.003396 0.004922 0.003735 28O 1f+2 0.008075 0.001657 0.004480 -0.016303 0.002364 -0.002475 28O 1f-2 -0.002155 0.002595 -0.000475 0.001475 -0.002513 -0.000448 28O 1f+3 0.004197 0.001526 0.000848 -0.009845 0.000410 -0.002507 28O 1f-3 -0.002244 0.000146 -0.001158 0.001049 -0.000494 -0.000480 29O 1s -0.000461 0.002789 -0.001060 -0.000451 0.001728 0.000188 29O 2s -0.001600 0.014274 -0.005438 -0.000100 0.004512 0.001823 29O 3s 0.011114 -0.222576 0.084416 -0.033860 -0.000451 -0.045718 29O 4s -0.020895 0.802493 -0.305998 0.140408 -0.094877 0.152615 29O 5s -0.007353 -0.363046 0.138739 0.196017 0.078099 0.149484 29O 1pz 0.002620 -0.007358 -0.013460 0.014951 0.006060 0.007371 29O 1px -0.001170 0.047702 -0.020862 -0.036822 0.017423 0.007560 29O 1py -0.012114 0.157915 -0.053906 0.009172 0.002235 0.027842 29O 2pz -0.020022 -0.040986 0.142473 -0.030792 -0.012077 -0.073244 29O 2px -0.008894 0.146135 -0.004581 0.054985 -0.021477 0.031859 29O 2py 0.019302 -0.354106 0.121127 -0.072983 0.025823 -0.083081 29O 3pz 0.032346 -0.090482 -0.035625 -0.003825 -0.001435 0.138849 29O 3px 0.000324 0.213887 -0.093717 -0.060547 0.074684 0.029645 29O 3py -0.029235 0.219369 -0.040556 0.086212 0.033443 0.030142 29O 1dz2 -0.001112 -0.001760 0.000795 0.000023 0.001314 0.000012 29O 1dxz 0.000072 -0.001748 -0.000363 0.001774 0.000306 -0.000405 29O 1dyz -0.000273 0.000805 0.002196 0.001048 0.001537 -0.000435 29O 1dx2y2 0.001253 -0.000496 -0.000497 -0.002303 0.000512 -0.000956 29O 1dxy 0.000579 0.001272 0.001054 -0.000469 -0.002210 0.000179 29O 2dz2 -0.006784 0.090090 0.090268 0.015104 0.033161 0.096229 29O 2dxz 0.021043 -0.130719 -0.169887 0.016693 -0.154921 -0.176945 29O 2dyz -0.008042 -0.039895 -0.151529 0.019983 -0.043006 -0.140945 29O 2dx2y2 -0.023938 0.229197 -0.151621 0.024417 0.105172 0.029786 29O 2dxy 0.028781 -0.097288 -0.009410 -0.010031 -0.109954 -0.062139 29O 1f0 0.000064 -0.021871 0.011543 -0.007037 0.004451 -0.007048 29O 1f+1 -0.001091 0.007896 -0.001493 0.002670 -0.001922 0.001625 29O 1f-1 0.000224 -0.031068 0.017392 -0.009254 0.001182 -0.011707 29O 1f+2 0.000200 0.006476 -0.003900 0.003408 -0.002717 0.002160 29O 1f-2 0.001892 -0.023100 -0.000403 -0.005194 0.003828 -0.003392 29O 1f+3 -0.001352 0.008238 -0.000249 0.002906 -0.001504 0.001678 29O 1f-3 -0.001868 0.010797 -0.000220 0.002459 0.000456 0.001263 30O 1s 0.000427 0.005629 -0.004930 -0.007438 -0.001390 -0.005176 30O 2s 0.001739 0.014757 -0.013404 -0.017449 -0.003755 -0.011352 30O 3s -0.021726 -0.023853 0.030598 -0.028581 0.013042 -0.035741 30O 4s 0.164469 -0.362973 0.081736 0.546218 -0.105868 0.651844 30O 5s -0.293921 0.816724 0.787483 2.413621 1.353185 -1.021500 30O 1pz 0.032760 -0.031225 -0.041458 -0.046835 -0.056722 0.022876 30O 1px -0.010388 0.034787 0.065809 0.090072 0.047774 -0.082199 30O 1py -0.031650 0.021952 0.012428 0.025963 -0.005351 0.016333 30O 2pz -0.003343 0.051475 -0.058790 -0.233272 -0.058630 -0.077293 30O 2px 0.066539 -0.112686 0.072177 0.330250 0.027102 0.235186 30O 2py 0.038272 -0.035792 0.086219 0.263689 0.099663 0.023252 30O 3pz -0.041021 0.024016 -0.328766 -0.768777 -0.189227 -0.125958 30O 3px -0.196709 0.357486 0.193639 1.044585 0.496157 -0.354925 30O 3py -0.211784 -0.232957 0.042584 0.869711 -0.018049 0.570432 30O 1dz2 -0.001562 -0.000448 0.001307 0.000974 0.004663 -0.000131 30O 1dxz -0.002869 -0.002104 -0.002125 0.000443 0.001114 0.001303 30O 1dyz -0.001131 -0.002614 0.003275 0.005827 -0.000752 0.002966 30O 1dx2y2 -0.006697 0.000662 -0.000473 0.002766 0.000093 0.002856 30O 1dxy -0.003569 0.002139 0.000364 0.000155 -0.001383 0.001588 30O 2dz2 0.078036 -0.096124 0.025116 -0.062684 0.069864 0.044833 30O 2dxz -0.110800 -0.057196 -0.320139 -0.342297 -0.140115 0.157412 30O 2dyz 0.085154 -0.155824 -0.031057 -0.070201 -0.186072 0.127335 30O 2dx2y2 -0.107178 0.046036 0.070348 0.148930 0.063358 -0.059405 30O 2dxy -0.133128 -0.100286 0.080608 0.338837 -0.027928 0.158500 30O 1f0 0.001182 -0.004579 0.003901 0.010553 0.002154 0.005189 30O 1f+1 -0.002519 -0.000042 0.000268 0.000152 0.001001 0.001622 30O 1f-1 0.001423 0.000195 0.000764 0.000459 0.002827 0.001597 30O 1f+2 0.001448 0.002565 0.001470 -0.002965 0.002695 -0.006172 30O 1f-2 0.002057 0.002076 -0.006815 -0.013159 -0.006550 -0.006081 30O 1f+3 0.001576 0.003241 0.001121 -0.000255 0.001338 -0.001420 30O 1f-3 0.000240 0.002107 -0.003349 -0.011384 -0.001715 -0.005435 31O 1s 0.000342 0.005817 -0.004951 0.007159 0.000988 0.002202 31O 2s 0.001507 0.015227 -0.013429 0.016703 0.002708 0.003486 31O 3s -0.021435 -0.023933 0.029760 0.030111 -0.010801 0.047620 31O 4s 0.168304 -0.372132 0.084927 -0.533729 0.131527 -0.440752 31O 5s -0.262618 0.765529 0.844917 -2.421660 -1.467505 0.351310 31O 1pz -0.030469 0.028833 0.042258 -0.047244 -0.056306 0.029779 31O 1px 0.009438 -0.032185 -0.068897 0.089124 0.053508 -0.051271 31O 1py 0.031466 -0.020841 -0.012589 0.026597 -0.006180 0.005803 31O 2pz 0.004609 -0.055167 0.061611 -0.230762 -0.059215 -0.061276 31O 2px -0.068877 0.117555 -0.075566 0.325110 0.021480 0.185459 31O 2py -0.041602 0.040762 -0.090421 0.260794 0.102043 0.014146 31O 3pz 0.052704 -0.043770 0.341625 -0.761751 -0.186115 0.019835 31O 3px 0.180506 -0.334433 -0.216539 1.053210 0.542900 -0.113219 31O 3py 0.194905 0.252516 -0.058454 0.867799 -0.026190 0.315954 31O 1dz2 -0.001668 -0.000505 0.001287 -0.000930 -0.004584 0.000256 31O 1dxz -0.002880 -0.002077 -0.002108 -0.000478 -0.001134 -0.000879 31O 1dyz -0.001065 -0.002733 0.003472 -0.005718 0.000977 -0.002458 31O 1dx2y2 -0.006646 0.000512 -0.000444 -0.002864 -0.000126 -0.003012 31O 1dxy -0.003629 0.002172 0.000410 -0.000218 0.001273 -0.002204 31O 2dz2 0.074339 -0.095701 0.023135 0.065498 -0.058703 0.016627 31O 2dxz -0.118794 -0.044907 -0.327649 0.333915 0.139550 -0.173059 31O 2dyz 0.084298 -0.152395 -0.029535 0.075051 0.203189 -0.073833 31O 2dx2y2 -0.105604 0.041433 0.073618 -0.148785 -0.068791 0.017707 31O 2dxy -0.131366 -0.107009 0.091270 -0.336531 0.022631 -0.108046 31O 1f0 -0.001188 0.004698 -0.004028 0.010341 0.002018 0.003756 31O 1f+1 0.002600 0.000018 -0.000201 0.000228 0.000970 0.001539 31O 1f-1 -0.001334 -0.000157 -0.000646 0.000390 0.002741 0.001413 31O 1f+2 -0.001454 -0.002552 -0.001372 -0.003042 0.002718 -0.005677 31O 1f-2 -0.001974 -0.002249 0.006896 -0.012994 -0.006349 -0.004423 31O 1f+3 -0.001555 -0.003285 -0.001080 -0.000227 0.001508 -0.000463 31O 1f-3 -0.000045 -0.002349 0.003454 -0.011209 -0.001574 -0.004981 32O 1s -0.000461 0.002802 -0.001147 0.000332 -0.001646 -0.000244 32O 2s -0.001590 0.014274 -0.005706 -0.000485 -0.004194 -0.002079 32O 3s 0.010830 -0.221446 0.085657 0.042394 -0.002824 0.049094 32O 4s -0.019834 0.797047 -0.307089 -0.171254 0.101358 -0.158960 32O 5s -0.007785 -0.363327 0.142908 -0.176100 -0.062043 -0.173748 32O 1pz -0.003505 0.010882 0.012233 0.014831 0.004778 0.010309 32O 1px 0.001526 -0.047174 0.021822 -0.035649 0.017530 0.008089 32O 1py 0.012189 -0.157311 0.053984 0.014270 -0.000467 0.030017 32O 2pz 0.021919 0.032053 -0.137173 -0.035646 -0.003437 -0.069414 32O 2px 0.008564 -0.147496 0.006306 0.058811 -0.022008 0.038281 32O 2py -0.018384 0.351039 -0.124172 -0.085212 0.030914 -0.091068 32O 3pz -0.032642 0.092502 0.033587 -0.008735 -0.007292 0.120401 32O 3px 0.001902 -0.211770 0.096730 -0.054553 0.077225 0.014649 32O 3py 0.027421 -0.217223 0.037103 0.091108 0.031983 0.034055 32O 1dz2 -0.001138 -0.001842 0.000476 0.000111 -0.001256 -0.000221 32O 1dxz 0.000071 -0.001852 -0.000312 -0.001704 -0.000149 0.000561 32O 1dyz -0.000276 0.000653 0.002200 -0.000958 -0.001658 0.000602 32O 1dx2y2 0.001287 -0.000547 -0.000718 0.002263 -0.000582 0.001221 32O 1dxy 0.000593 0.001254 0.001016 0.000425 0.002076 -0.000017 32O 2dz2 -0.006205 0.088861 0.094244 -0.013549 -0.036343 -0.101833 32O 2dxz 0.021493 -0.126048 -0.166855 -0.018683 0.156738 0.180050 32O 2dyz -0.007907 -0.031185 -0.150415 -0.023727 0.049559 0.142083 32O 2dx2y2 -0.023921 0.231695 -0.145915 -0.029558 -0.096098 -0.041515 32O 2dxy 0.029973 -0.094974 -0.012285 0.008758 0.112196 0.069179 32O 1f0 -0.000006 0.019815 -0.010571 -0.007293 0.004799 -0.006409 32O 1f+1 0.001131 -0.009146 0.001922 0.003354 -0.002134 0.002254 32O 1f-1 -0.000178 0.031783 -0.017705 -0.010853 0.002285 -0.012078 32O 1f+2 -0.000171 -0.008025 0.004375 0.004266 -0.002981 0.002714 32O 1f-2 -0.001909 0.022539 0.000456 -0.005479 0.003511 -0.004573 32O 1f+3 0.001278 -0.007369 0.000196 0.002887 -0.001402 0.001944 32O 1f-3 0.001883 -0.010541 0.000202 0.002536 0.000544 0.002019 33O 1s 0.004818 0.004225 -0.000088 0.008037 0.000142 0.004625 33O 2s 0.011846 0.012088 0.000222 0.018161 0.000460 0.010433 33O 3s -0.003770 -0.045964 -0.003495 0.049607 -0.001422 0.012656 33O 4s -0.293536 -0.040706 0.186423 -0.737590 -0.161301 -0.483753 33O 5s -0.112184 0.383127 -1.544941 -1.946249 1.898769 1.451665 33O 1pz -0.005484 -0.014029 -0.029090 -0.055977 0.041311 -0.023153 33O 1px 0.007637 0.004066 0.084358 0.048160 -0.091430 -0.084407 33O 1py -0.006984 -0.005243 -0.009572 -0.013821 -0.046052 -0.004429 33O 2pz -0.072578 0.028828 -0.071278 -0.310277 0.111140 0.062209 33O 2px 0.147824 -0.039987 0.007061 0.424885 -0.036892 0.113052 33O 2py -0.017519 0.006011 -0.036048 -0.035425 0.088984 0.061911 33O 3pz -0.252176 -0.326608 -0.334112 -1.127849 0.237687 -0.297445 33O 3px -0.009968 -0.053356 0.750255 1.011968 -0.657535 -0.503284 33O 3py 0.062629 -0.246747 -0.043761 -0.334135 -0.255465 -0.292292 33O 1dz2 0.002794 0.004029 0.002391 0.006587 -0.001599 0.001381 33O 1dxz 0.001438 -0.000511 0.001767 -0.000629 -0.000130 -0.001144 33O 1dyz 0.000963 0.005061 0.001889 0.005237 -0.001820 0.006958 33O 1dx2y2 0.004954 -0.003725 -0.002063 -0.000815 -0.001340 -0.001544 33O 1dxy -0.002389 -0.000474 -0.000063 -0.000165 -0.001999 -0.000130 33O 2dz2 0.038121 0.016135 0.020923 0.035273 -0.000683 -0.062170 33O 2dxz 0.169823 0.095197 0.218985 0.393236 -0.249601 -0.063155 33O 2dyz 0.129571 0.093042 -0.140350 0.089019 -0.000607 0.239523 33O 2dx2y2 0.132234 -0.079370 -0.274851 -0.216364 0.164734 0.141656 33O 2dxy -0.123161 0.071832 -0.002321 0.116261 0.021863 0.075973 33O 1f0 0.000997 0.001042 0.000969 0.010580 -0.002042 0.002193 33O 1f+1 0.002112 -0.003389 0.002195 0.007990 -0.004934 -0.001609 33O 1f-1 -0.003607 -0.000046 -0.000961 -0.003437 0.004892 0.003851 33O 1f+2 -0.007567 -0.001901 -0.003911 -0.016404 0.002308 -0.003546 33O 1f-2 0.001898 -0.002550 0.000391 0.001581 -0.002459 -0.000595 33O 1f+3 -0.003958 -0.001722 -0.000685 -0.009896 0.000456 -0.003038 33O 1f-3 0.002176 -0.000099 0.001243 0.001194 -0.000560 -0.000899 34O 1s 0.005371 0.002083 -0.001094 -0.004149 0.002072 -0.002726 34O 2s 0.014110 0.006076 -0.004262 -0.008282 0.006301 -0.007053 34O 3s -0.020308 -0.031004 0.028194 -0.046204 -0.013169 -0.003304 34O 4s -0.266839 -0.044901 -0.100821 0.540443 -0.063651 0.175985 34O 5s -0.345150 1.229192 0.686573 -0.066918 -1.468808 1.652007 34O 1pz 0.027651 -0.015823 -0.023948 -0.013121 0.008430 -0.060807 34O 1px -0.031711 0.038902 0.071050 -0.024139 -0.090030 0.092323 34O 1py 0.008396 0.021135 0.018435 -0.014052 -0.016228 0.011302 34O 2pz 0.008070 0.008283 0.025198 -0.058667 -0.013912 0.039572 34O 2px -0.186087 0.141304 0.008125 0.244124 -0.135389 0.211935 34O 2py 0.007734 -0.066180 -0.028030 0.026636 0.081268 -0.064438 34O 3pz 0.320512 -0.293241 -0.081998 0.242232 0.217298 -0.093365 34O 3px -0.091957 0.317826 0.451342 0.304565 -0.928486 1.032721 34O 3py 0.116715 0.367315 0.046557 -0.414070 0.185491 -0.222356 34O 1dz2 -0.002619 -0.001850 -0.002055 0.000973 -0.001096 0.000811 34O 1dxz 0.002159 0.003246 0.000098 -0.001294 0.002892 0.000402 34O 1dyz -0.000083 -0.002503 -0.000373 0.004601 0.002396 0.000061 34O 1dx2y2 0.002661 -0.003367 0.000869 0.002143 -0.001077 0.000265 34O 1dxy 0.003087 -0.002850 0.001408 0.001652 -0.001258 0.002057 34O 2dz2 -0.020952 -0.135192 -0.246099 0.036286 0.213216 -0.243089 34O 2dxz 0.356015 -0.026817 -0.046946 -0.010086 0.200027 -0.087469 34O 2dyz -0.111985 -0.135379 -0.039949 0.214568 -0.025262 0.110757 34O 2dx2y2 -0.023706 0.042380 0.204987 0.105448 -0.255276 0.335379 34O 2dxy 0.110025 0.019055 0.082650 -0.057177 0.027850 0.003343 34O 1f0 0.000221 -0.001524 0.000196 0.001236 -0.000543 0.001489 34O 1f+1 0.003448 -0.002262 0.003864 -0.007767 -0.003820 0.001707 34O 1f-1 -0.004516 0.003053 -0.000777 -0.000096 0.001499 -0.000347 34O 1f+2 0.002563 0.001181 -0.001014 -0.003695 0.004504 -0.004361 34O 1f-2 0.002088 -0.002166 -0.001450 0.000362 0.000935 -0.002572 34O 1f+3 0.006271 -0.000047 -0.001943 -0.007521 0.004978 -0.005948 34O 1f-3 -0.002344 0.004541 -0.002020 0.002431 -0.001770 0.002722 35O 1s -0.000886 0.006369 0.000915 -0.003017 0.003101 -0.001539 35O 2s -0.001165 0.016900 0.003116 -0.006348 0.005449 -0.004144 35O 3s -0.029044 -0.026912 -0.014606 -0.030763 0.042512 -0.002727 35O 4s 0.205060 -0.344918 0.071504 0.366861 -0.450068 0.019023 35O 5s 0.484265 0.160897 -0.940030 0.634295 1.105341 2.203395 35O 1pz -0.034075 0.019859 0.032939 -0.032492 -0.082980 -0.080327 35O 1px -0.001329 -0.016536 -0.088906 0.027466 0.098989 0.092663 35O 1py 0.017687 -0.003591 -0.001705 -0.017423 0.017185 -0.010315 35O 2pz 0.033170 0.006125 -0.033759 -0.010495 0.093942 0.089544 35O 2px 0.154390 -0.151473 -0.064537 0.206679 -0.143419 0.196563 35O 2py 0.045628 -0.059656 -0.061740 0.077171 -0.029244 0.127750 35O 3pz -0.143238 -0.224005 0.406011 0.322747 -0.467288 -0.220701 35O 3px 0.049838 -0.012609 -0.243665 0.511423 0.353805 1.029592 35O 3py 0.409609 -0.134567 0.250464 0.355181 -0.047387 0.091883 35O 1dz2 0.002935 0.000114 -0.001588 -0.001486 0.003667 -0.000561 35O 1dxz -0.000202 -0.000212 -0.003115 -0.000838 0.001621 0.000977 35O 1dyz -0.001172 0.000892 -0.002195 -0.003723 0.003160 0.003569 35O 1dx2y2 -0.003328 0.002201 0.001256 0.000445 0.000801 -0.001206 35O 1dxy 0.003364 0.002716 -0.001750 -0.000618 0.002158 -0.000303 35O 2dz2 -0.025098 0.136680 -0.016452 -0.218279 -0.072063 -0.107938 35O 2dxz -0.125776 -0.033869 0.103846 0.034430 -0.161755 -0.061566 35O 2dyz -0.114234 0.149820 -0.012972 -0.165507 0.013009 0.057396 35O 2dx2y2 -0.203251 -0.056630 -0.242931 0.103850 0.195927 0.342146 35O 2dxy 0.322757 -0.033343 -0.079592 0.080682 0.170256 0.134069 35O 1f0 -0.003813 -0.000866 0.000405 0.002247 0.003418 -0.003149 35O 1f+1 -0.001630 0.004276 0.001051 -0.004405 0.009853 -0.005923 35O 1f-1 0.000354 0.000925 0.001960 0.000844 0.003339 -0.000517 35O 1f+2 -0.000739 0.002767 -0.000032 -0.000858 0.000140 -0.001399 35O 1f-2 0.001111 -0.000444 -0.005408 -0.001254 -0.003454 0.005024 35O 1f+3 -0.001707 0.003270 -0.002151 -0.004220 0.000863 -0.000819 35O 1f-3 -0.005392 0.004906 0.000426 -0.006572 0.009502 -0.002575 384 385 386 387 388 389 2.07455 2.07956 2.09438 2.09980 2.10559 2.10850 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s 0.000805 0.002924 -0.001083 -0.000570 -0.000686 -0.000222 0Rh 2s -0.003659 -0.012878 0.005905 0.002516 0.003057 0.001734 0Rh 3s 0.002503 0.009340 -0.002768 -0.001816 -0.002173 -0.000250 0Rh 4s 0.018229 0.063924 -0.029745 -0.012451 -0.015266 -0.008837 0Rh 5s -0.023221 -0.075951 0.047127 0.014055 0.019313 0.017556 0Rh 6s -0.023405 -0.109405 -0.005278 0.026824 0.019682 -0.018224 0Rh 7s 0.117245 0.449707 0.131990 -0.120646 -0.144528 0.027139 0Rh 8s 0.058155 -0.334395 -0.217450 0.110152 -0.054592 -0.011996 0Rh 1pz -0.003728 -0.001950 0.002709 -0.006605 -0.005610 0.006664 0Rh 1px -0.000081 0.002921 -0.003758 -0.000652 -0.003060 -0.003029 0Rh 1py 0.001180 0.002913 0.006889 -0.000424 0.006423 -0.000409 0Rh 2pz 0.013134 0.007065 -0.008867 0.023321 0.019557 -0.023412 0Rh 2px 0.000160 -0.010968 0.012871 0.002434 0.010887 0.010587 0Rh 2py -0.004177 -0.010403 -0.024372 0.001393 -0.022069 0.001462 0Rh 3pz -0.009362 -0.008649 -0.006946 -0.017675 -0.009075 0.015098 0Rh 3px 0.002625 0.022681 -0.001094 -0.004859 -0.009757 -0.005425 0Rh 3py 0.003225 0.010394 0.018523 0.001515 0.004113 -0.001822 0Rh 4pz -0.048944 -0.014037 0.082421 -0.082095 -0.094780 0.094459 0Rh 4px -0.012586 -0.024354 -0.082688 0.005671 -0.033443 -0.050542 0Rh 4py 0.015728 0.026088 0.090547 -0.017855 0.128644 -0.000297 0Rh 5pz 0.083620 0.020533 -0.139182 0.146231 0.168836 -0.172129 0Rh 5px 0.026479 0.082073 0.153490 -0.022661 0.060481 0.100648 0Rh 5py -0.031361 -0.039754 -0.164216 0.034737 -0.225881 0.000500 0Rh 6pz -0.018088 0.900104 0.912511 -0.108188 0.210471 0.133167 0Rh 6px -0.021967 -0.354667 -0.228442 0.036922 0.083836 -0.009931 0Rh 6py -0.117988 -0.205184 -0.512790 0.556758 0.457018 -0.664848 0Rh 1dz2 -0.003980 0.002930 0.004231 0.005485 0.000343 0.000482 0Rh 1dxz 0.001660 0.006933 0.006381 -0.001138 0.004750 0.006786 0Rh 1dyz -0.014360 0.002222 0.002446 -0.001832 -0.000311 0.000152 0Rh 1dx2y2 -0.000073 -0.006618 -0.010184 0.003086 0.006535 0.005448 0Rh 1dxy -0.003449 -0.004124 -0.010458 0.000793 -0.003887 -0.001230 0Rh 2dz2 0.004613 -0.002407 -0.001288 0.000423 0.001689 -0.000596 0Rh 2dxz -0.000554 -0.001157 -0.002158 0.001200 0.001330 -0.000744 0Rh 2dyz 0.009284 -0.001699 0.000026 -0.004043 0.000550 0.000411 0Rh 2dx2y2 0.002525 0.003839 0.001474 -0.000434 -0.000058 -0.000264 0Rh 2dxy 0.003851 0.000727 0.000921 -0.000256 -0.000547 -0.000852 0Rh 3dz2 -0.010507 0.003231 -0.005453 -0.015828 -0.008113 0.001239 0Rh 3dxz -0.001778 -0.012498 -0.007106 -0.002339 -0.018153 -0.014553 0Rh 3dyz -0.005409 0.002030 -0.006393 0.022854 -0.001833 -0.002030 0Rh 3dx2y2 -0.011194 -0.000016 0.019789 -0.006006 -0.016409 -0.012920 0Rh 3dxy -0.008744 0.007411 0.023124 -0.000604 0.012630 0.006890 0Rh 4dz2 0.075935 -0.038345 -0.017059 -0.000700 0.020551 -0.007822 0Rh 4dxz -0.009685 -0.024503 -0.033073 0.017840 0.016408 -0.011821 0Rh 4dyz 0.167018 -0.030457 -0.001490 -0.061450 0.010820 0.002451 0Rh 4dx2y2 0.040640 0.059554 0.026148 -0.009660 -0.007275 -0.006685 0Rh 4dxy 0.068448 0.012497 0.016349 -0.009498 -0.008820 -0.010443 0Rh 5dz2 -0.395085 0.168421 0.047795 0.057458 -0.039447 0.042581 0Rh 5dxz 0.049948 0.136698 0.156451 -0.076463 -0.031461 0.080112 0Rh 5dyz -0.968727 0.171965 0.014996 0.262705 -0.049892 0.033116 0Rh 5dx2y2 -0.191656 -0.233405 -0.141583 0.079208 0.064747 0.031222 0Rh 5dxy -0.385964 -0.049024 -0.096338 0.083299 0.044428 0.023144 0Rh 1f0 -0.041483 0.052386 -0.088495 -0.295095 0.196054 -0.196079 0Rh 1f+1 0.004423 0.040599 0.163982 0.067887 -0.265474 0.399792 0Rh 1f-1 0.051552 0.009797 -0.000638 0.139838 -0.116112 0.120313 0Rh 1f+2 0.049082 -0.168080 -0.035340 0.137990 -0.195321 0.135380 0Rh 1f-2 -0.081176 -0.042659 -0.133338 -0.028129 0.155047 -0.215368 0Rh 1f+3 -0.067118 -0.125717 -0.006938 -0.352901 0.260762 -0.146774 0Rh 1f-3 -0.011706 -0.028636 0.001460 -0.015921 0.161354 -0.150621 1Rh 1s -0.000206 0.003239 0.001257 -0.000575 0.000632 -0.000294 1Rh 2s 0.001198 -0.014345 -0.006766 0.002546 -0.002806 0.002066 1Rh 3s -0.000480 0.010299 0.003270 -0.001829 0.002004 -0.000469 1Rh 4s -0.006042 0.071247 0.034031 -0.012596 0.014008 -0.010502 1Rh 5s 0.010045 -0.085613 -0.052839 0.014256 -0.017634 0.019782 1Rh 6s -0.003211 -0.117269 0.000414 0.026976 -0.018468 -0.016622 1Rh 7s -0.019960 0.504345 -0.104369 -0.124061 0.137745 0.017486 1Rh 8s -0.115870 -0.275208 0.185450 0.117643 0.053249 -0.026138 1Rh 1pz -0.001034 0.003433 0.002725 0.006827 -0.005828 -0.006292 1Rh 1px 0.000782 -0.002794 -0.004043 0.000726 -0.002822 0.003274 1Rh 1py -0.002467 -0.003103 0.006840 -0.000015 0.006175 0.000232 1Rh 2pz 0.003544 -0.012252 -0.008931 -0.024089 0.020311 0.022101 1Rh 2px -0.002722 0.010586 0.013902 -0.002686 0.010041 -0.011469 1Rh 2py 0.008548 0.011106 -0.024201 0.000127 -0.021196 -0.000864 1Rh 3pz -0.000159 0.011535 -0.006721 0.017950 -0.009366 -0.014201 1Rh 3px 0.001316 -0.023812 -0.002433 0.004851 -0.008977 0.006428 1Rh 3py -0.003128 -0.011505 0.018438 -0.002016 0.003509 0.001923 1Rh 4pz -0.024753 0.037095 0.081843 0.085912 -0.098445 -0.089130 1Rh 4px 0.012473 0.031742 -0.083929 -0.003997 -0.030888 0.052429 1Rh 4py -0.043834 -0.026917 0.089623 0.009657 0.125207 -0.003925 1Rh 5pz 0.049882 -0.061729 -0.137472 -0.152515 0.175376 0.162434 1Rh 5px -0.025211 -0.095325 0.153933 0.019997 0.055830 -0.104394 1Rh 5py 0.077216 0.042847 -0.162437 -0.019750 -0.219710 0.006634 1Rh 6pz -0.059910 -0.886793 0.891353 0.112837 0.154108 -0.167785 1Rh 6px 0.078186 0.362721 -0.208565 -0.042633 0.061247 0.007194 1Rh 6py 0.090819 0.210910 -0.496442 -0.580075 0.481597 0.643593 1Rh 1dz2 -0.001049 0.001936 -0.003901 0.005279 -0.000368 0.000845 1Rh 1dxz -0.000185 0.007710 -0.006361 -0.000914 -0.003981 0.007262 1Rh 1dyz -0.013126 0.002194 -0.002274 -0.001770 0.000051 -0.000054 1Rh 1dx2y2 -0.004173 -0.005689 0.009863 0.003248 -0.005833 0.005952 1Rh 1dxy -0.006543 -0.003940 0.010198 0.000730 0.003942 -0.001504 1Rh 2dz2 0.004675 -0.002410 0.001161 0.000501 -0.001707 -0.000519 1Rh 2dxz -0.000024 -0.001349 0.002082 0.001255 -0.001288 -0.000677 1Rh 2dyz 0.009214 -0.001551 -0.000088 -0.004009 -0.000687 0.000379 1Rh 2dx2y2 0.002533 0.003999 -0.001292 -0.000371 0.000030 -0.000316 1Rh 2dxy 0.003530 0.000998 -0.000904 -0.000238 0.000445 -0.000925 1Rh 3dz2 -0.018417 0.005836 0.005166 -0.015622 0.008261 -0.000026 1Rh 3dxz 0.000677 -0.013658 0.007400 -0.003151 0.015958 -0.016086 1Rh 3dyz -0.008298 0.001438 0.006237 0.022530 0.003143 -0.001364 1Rh 3dx2y2 -0.000515 -0.003170 -0.019765 -0.006698 0.014729 -0.013973 1Rh 3dxy 0.000704 0.005735 -0.022531 -0.000509 -0.012316 0.007931 1Rh 4dz2 0.076917 -0.038372 0.014955 0.000300 -0.020910 -0.007082 1Rh 4dxz -0.001975 -0.027502 0.031785 0.018397 -0.016076 -0.011054 1Rh 4dyz 0.165607 -0.028144 0.000215 -0.060799 -0.013208 0.002230 1Rh 4dx2y2 0.040260 0.062244 -0.023298 -0.008900 0.006292 -0.007979 1Rh 4dxy 0.064540 0.016301 -0.015927 -0.009362 0.007163 -0.011500 1Rh 5dz2 -0.394713 0.167116 -0.037509 0.054856 0.043146 0.042592 1Rh 5dxz 0.025973 0.147570 -0.150501 -0.076525 0.034579 0.079836 1Rh 5dyz -0.957955 0.162474 -0.006168 0.259610 0.064081 0.031796 1Rh 5dx2y2 -0.194319 -0.242942 0.129591 0.077063 -0.057193 0.039315 1Rh 5dxy -0.379810 -0.060740 0.094109 0.084249 -0.036321 0.026679 1Rh 1f0 0.052431 -0.056337 -0.090179 0.287414 0.220893 0.173292 1Rh 1f+1 0.029719 -0.047264 0.162187 -0.052622 -0.304017 -0.380427 1Rh 1f-1 -0.038440 -0.011291 0.001652 -0.132150 -0.128670 -0.107186 1Rh 1f+2 -0.047149 0.164699 -0.031313 -0.133184 -0.202503 -0.116594 1Rh 1f-2 0.059896 0.053086 -0.128411 0.022557 0.169840 0.199489 1Rh 1f+3 0.083057 0.115320 -0.001191 0.339909 0.285550 0.121583 1Rh 1f-3 -0.012918 0.032925 0.008044 0.011415 0.166167 0.137044 2C 1s -0.013257 0.005868 0.000930 0.002428 -0.003706 0.000599 2C 2s -0.045116 0.019721 0.001630 0.008826 -0.014419 0.002546 2C 3s 0.263588 -0.082193 -0.018351 -0.099513 0.116322 0.017488 2C 4s 0.222127 -0.151426 0.084492 0.222437 -0.077048 -0.224261 2C 5s -0.699683 -0.878214 0.297143 0.062022 1.170992 0.464237 2C 1pz 0.169145 -0.115803 -0.015429 -0.143110 -0.035575 0.090536 2C 1px 0.004870 0.105852 -0.036947 0.060974 -0.034335 -0.098691 2C 1py 0.154692 -0.016839 -0.015850 0.085507 0.182921 -0.097559 2C 2pz 0.159302 0.094351 0.052218 0.359497 0.194160 -0.324836 2C 2px 0.157983 -0.405456 0.136052 -0.157609 0.165672 0.251684 2C 2py -0.058658 -0.045321 0.039622 -0.245283 -0.409451 0.168771 2C 3pz -0.034234 -0.290542 0.089575 -0.020898 0.191199 0.154075 2C 3px -0.261862 -0.050345 -0.075654 0.093969 -0.017394 0.052084 2C 3py 0.033120 -0.151570 -0.009713 0.087564 0.337993 -0.111558 2C 1dz2 -0.028531 0.023964 0.005683 0.010778 -0.004814 0.000609 2C 1dxz -0.015366 0.044566 -0.004147 0.009327 -0.027541 -0.007739 2C 1dyz -0.052628 0.023348 0.001207 -0.004504 -0.021497 0.007264 2C 1dx2y2 0.012116 -0.005708 0.009697 -0.013879 0.019073 0.018665 2C 1dxy -0.008310 0.017346 0.005071 0.016406 -0.001126 -0.017356 2C 2dz2 0.196483 -0.024229 0.003563 0.180226 0.169518 -0.169565 2C 2dxz 0.116637 -0.265434 0.081904 -0.074612 0.195315 0.107457 2C 2dyz 0.223473 -0.076730 0.014136 -0.006193 -0.025042 -0.080667 2C 2dx2y2 0.006535 0.058169 -0.016936 0.145522 0.093908 -0.117791 2C 2dxy 0.114684 -0.171786 0.053343 -0.127022 0.004398 0.152697 2C 1f0 0.025942 -0.023922 0.002534 -0.010139 0.011549 0.027310 2C 1f+1 -0.000961 -0.011435 0.005892 0.001780 0.005942 0.002044 2C 1f-1 0.054147 -0.007180 -0.007938 0.000921 -0.002663 -0.016972 2C 1f+2 -0.062612 0.075692 -0.006699 0.027237 -0.041276 -0.006446 2C 1f-2 0.066839 -0.018517 0.005250 0.000883 0.022004 -0.015003 2C 1f+3 -0.065999 0.066083 -0.006283 0.008854 -0.043248 0.011617 2C 1f-3 -0.016469 -0.024460 0.003347 -0.014431 0.006085 0.015546 3C 1s 0.011347 0.002972 -0.010273 -0.004372 -0.004139 0.000902 3C 2s 0.038138 0.009886 -0.038739 -0.016174 -0.014156 0.003297 3C 3s -0.189937 -0.017906 0.285734 0.118266 0.096615 -0.018205 3C 4s -0.350685 -0.158027 -0.054572 -0.093214 -0.034654 -0.047605 3C 5s 0.355950 -1.501977 2.121172 0.119071 0.406639 -0.263548 3C 1pz -0.169537 -0.103721 0.242577 -0.029218 0.037131 0.058228 3C 1px -0.041493 0.133396 0.012917 -0.077894 0.042324 0.058016 3C 1py 0.113011 0.032591 -0.071415 -0.118286 -0.046118 0.057083 3C 2pz 0.204986 0.297341 -0.478001 0.126980 -0.050847 -0.196584 3C 2px -0.161161 -0.414639 0.140476 0.227495 -0.048535 -0.116923 3C 2py 0.336013 0.057376 -0.158877 0.227644 0.007548 -0.094869 3C 3pz -0.226351 -0.159350 0.575696 0.060666 0.113592 0.044918 3C 3px 0.095451 -0.156006 0.087965 -0.106073 0.096156 0.058881 3C 3py -0.046152 0.428086 -0.434647 -0.044201 -0.106895 0.113585 3C 1dz2 -0.009176 -0.017679 0.004272 0.022371 0.010172 -0.006716 3C 1dxz 0.020494 0.021858 -0.030416 -0.018329 -0.007318 0.008701 3C 1dyz -0.031617 -0.002682 0.036144 -0.002969 0.011679 0.002138 3C 1dx2y2 -0.032924 -0.027147 0.047099 0.003746 0.012187 0.016119 3C 1dxy -0.035807 -0.031041 0.043620 0.022621 0.018464 -0.010785 3C 2dz2 0.224580 0.176431 -0.214318 0.005315 -0.028261 -0.013982 3C 2dxz -0.056066 -0.164446 0.059584 0.221898 0.000659 -0.167466 3C 2dyz 0.143483 -0.100167 0.026847 -0.012883 -0.043852 0.014751 3C 2dx2y2 0.195471 0.057234 -0.207432 0.100449 -0.033613 -0.094800 3C 2dxy 0.227655 0.235776 -0.256121 -0.120189 -0.035675 0.034737 3C 1f0 -0.023640 -0.049990 0.058870 0.020657 0.016216 0.012419 3C 1f+1 -0.022603 -0.042491 0.032613 0.021051 0.011518 0.010362 3C 1f-1 -0.022205 -0.003538 0.038005 -0.002683 0.010232 -0.005442 3C 1f+2 0.093203 0.044079 -0.103882 -0.046269 -0.033655 0.015720 3C 1f-2 0.066757 0.040880 -0.073962 -0.023996 -0.023428 -0.014548 3C 1f+3 -0.016961 0.003161 -0.001488 -0.008031 -0.002593 0.006780 3C 1f-3 0.007057 0.028438 0.010331 -0.005969 0.001056 0.001330 4C 1s -0.001946 0.002465 -0.001363 0.005413 -0.000336 -0.000828 4C 2s -0.006415 0.006521 -0.004249 0.017009 0.001305 -0.000962 4C 3s 0.128018 -0.321360 -0.164411 0.073084 -0.124905 -0.108928 4C 4s -0.678484 1.850183 1.069116 -1.089612 0.586947 0.710304 4C 5s -1.322237 1.650806 0.350586 -0.051187 -0.402620 0.030795 4C 1pz -0.122093 0.018321 0.000775 0.031988 0.020318 -0.028196 4C 1px -0.025996 0.072548 -0.043257 -0.051279 0.024816 0.056443 4C 1py -0.113148 -0.002907 0.017076 -0.049201 -0.060206 0.056227 4C 2pz 0.528215 -0.005817 0.196322 -0.397094 0.035468 0.214968 4C 2px -0.052103 0.073430 0.664170 0.367369 0.141563 -0.352148 4C 2py 0.376778 0.226780 0.230048 -0.012784 0.312673 -0.187292 4C 3pz -2.269842 0.139067 0.168588 0.382498 0.456252 0.463880 4C 3px -0.487999 0.437735 0.295767 0.396100 0.119691 -0.273278 4C 3py -1.584310 0.226067 0.279582 0.345657 0.250077 0.290517 4C 1dz2 -0.032878 0.022789 0.003146 -0.017705 -0.009807 -0.011524 4C 1dxz -0.014345 -0.003459 -0.005727 -0.011737 -0.012802 -0.005860 4C 1dyz -0.015583 0.026087 0.004796 0.019581 -0.010122 0.000618 4C 1dx2y2 0.002645 -0.020528 -0.015269 -0.013849 0.015013 0.008837 4C 1dxy 0.000354 -0.022808 -0.002541 0.009732 -0.016886 -0.008684 4C 2dz2 -0.253625 0.098639 -0.168999 0.351152 0.072187 -0.126851 4C 2dxz -0.141718 -0.458667 0.133204 0.028415 0.003608 0.187585 4C 2dyz -0.511321 0.149137 0.003863 -0.190932 -0.241356 0.232380 4C 2dx2y2 0.240486 0.040588 0.257853 -0.143675 0.240226 0.082550 4C 2dxy -0.027764 -0.040920 0.247583 0.035522 0.315310 0.000078 4C 1f0 0.005704 0.003479 -0.006694 0.012283 0.017278 -0.011209 4C 1f+1 0.010780 -0.013940 -0.019090 0.025895 0.019003 -0.006544 4C 1f-1 -0.026234 -0.023207 -0.010728 0.014885 0.005213 -0.001707 4C 1f+2 0.009974 0.033714 0.007930 -0.007702 0.015400 -0.011093 4C 1f-2 -0.002600 0.006347 0.002521 0.000682 -0.007118 -0.006474 4C 1f+3 -0.013411 -0.022075 -0.003170 -0.011049 -0.023738 0.015822 4C 1f-3 0.021500 -0.027804 -0.026735 0.012857 -0.024740 -0.009078 5C 1s 0.004568 0.000133 0.002181 -0.003293 -0.000313 0.000703 5C 2s 0.015127 -0.001760 0.012153 -0.011115 -0.000093 0.003107 5C 3s -0.182055 -0.213035 -0.277643 0.055074 0.190604 -0.015889 5C 4s 0.642829 1.524291 0.891587 0.010274 -1.089562 0.036346 5C 5s 1.344408 1.403249 -1.009980 -0.524312 -0.788318 -0.010307 5C 1pz 0.100267 -0.011585 -0.092105 0.060759 -0.004338 -0.071532 5C 1px 0.034041 0.028698 -0.070274 -0.079901 -0.014563 0.132689 5C 1py -0.096510 -0.001472 0.024381 0.001960 -0.018900 0.002449 5C 2pz -0.404957 0.080827 0.323649 -0.020869 -0.092841 0.124029 5C 2px -0.258414 0.327259 0.617570 0.079738 -0.064640 -0.175060 5C 2py 0.549384 -0.038384 -0.251908 -0.129187 0.261659 0.070209 5C 3pz 1.190821 -0.556853 0.168094 -0.297546 -0.095883 -0.231983 5C 3px 0.739384 0.202853 0.314464 -0.461810 -0.092000 0.156355 5C 3py -1.862398 0.760333 -0.512939 0.579515 0.126354 0.151201 5C 1dz2 -0.015806 0.005847 0.003927 -0.025978 -0.009553 0.005613 5C 1dxz 0.007406 0.009736 -0.025313 0.006451 -0.002951 -0.027502 5C 1dyz -0.004870 -0.015693 0.028467 0.033328 0.014026 -0.014283 5C 1dx2y2 -0.027151 -0.038797 0.035984 -0.000950 0.016681 -0.017328 5C 1dxy -0.019846 0.002157 0.023360 -0.018628 0.015335 0.035038 5C 2dz2 0.184599 0.121950 -0.443742 0.148137 0.073542 -0.086421 5C 2dxz 0.167701 -0.069748 -0.167797 -0.029183 0.086916 0.039101 5C 2dyz -0.491205 -0.275110 0.334643 0.092446 0.153017 -0.075189 5C 2dx2y2 -0.298830 0.136273 0.483877 0.324351 -0.042967 -0.234286 5C 2dxy -0.166012 0.367258 -0.022960 -0.290603 0.039376 0.242164 5C 1f0 -0.028206 0.015414 0.017672 -0.020348 0.000348 0.020775 5C 1f+1 -0.009284 -0.021164 -0.012396 0.012188 0.016697 -0.012528 5C 1f-1 -0.011034 0.019513 0.027350 -0.017628 -0.001035 0.020812 5C 1f+2 -0.003005 0.011589 -0.000644 0.006104 -0.011913 -0.016086 5C 1f-2 0.001245 0.025265 0.004228 0.014852 -0.017541 -0.019655 5C 1f+3 -0.001146 -0.030879 0.000625 -0.008659 0.015053 0.002796 5C 1f-3 0.006614 0.017547 -0.004845 0.006930 -0.020408 0.003313 6C 1s 0.001625 0.001285 -0.002419 -0.003225 0.000018 0.000619 6C 2s 0.005063 0.002171 -0.013012 -0.010851 -0.000871 0.002935 6C 3s -0.141733 -0.215877 0.269108 0.065623 -0.182489 -0.011649 6C 4s 0.869237 1.362796 -0.799155 -0.062647 1.081476 0.018066 6C 5s 1.534791 1.294327 1.084558 -0.573079 0.763451 -0.041765 6C 1pz -0.114862 0.016077 -0.091113 -0.062114 -0.001716 0.073698 6C 1px -0.028862 -0.023953 -0.069719 0.080278 -0.024143 -0.131929 6C 1py 0.132385 -0.011003 0.024597 -0.003364 -0.017814 -0.000140 6C 2pz 0.447246 -0.078470 0.308313 0.031794 -0.096383 -0.126364 6C 2px -0.105183 -0.240338 0.594214 -0.062736 -0.068041 0.164681 6C 2py -0.511525 0.017187 -0.232222 0.119745 0.262054 -0.084313 6C 3pz -1.394661 0.641084 0.187347 0.299395 -0.043729 0.233386 6C 3px -0.991207 -0.121083 0.305959 0.474176 -0.098687 -0.159378 6C 3py 2.177981 -0.902063 -0.533518 -0.599726 0.069096 -0.139875 6C 1dz2 -0.015340 0.005558 -0.003495 -0.026440 0.008949 0.005392 6C 1dxz 0.007646 0.010312 0.026010 0.006809 0.001320 -0.028113 6C 1dyz -0.010177 -0.013062 -0.029016 0.033967 -0.013816 -0.013420 6C 1dx2y2 -0.032996 -0.035074 -0.037452 0.000295 -0.019262 -0.016550 6C 1dxy -0.016217 0.001521 -0.023528 -0.017932 -0.012085 0.036219 6C 2dz2 0.046298 0.173150 0.441692 0.161512 -0.081387 -0.092550 6C 2dxz 0.213156 -0.088055 0.153450 -0.028119 -0.084380 0.045893 6C 2dyz -0.441090 -0.271866 -0.342265 0.098123 -0.153476 -0.065148 6C 2dx2y2 -0.243032 0.117223 -0.470764 0.320289 0.029269 -0.226255 6C 2dxy -0.273324 0.400510 0.039943 -0.287958 -0.015595 0.236958 6C 1f0 0.028988 -0.015477 0.016902 0.020651 -0.000494 -0.020996 6C 1f+1 0.020039 0.016261 -0.011502 -0.013454 0.018016 0.012317 6C 1f-1 0.011303 -0.019765 0.026419 0.018070 -0.001123 -0.021631 6C 1f+2 0.010871 -0.014304 -0.001194 -0.006155 -0.010642 0.016866 6C 1f-2 0.003768 -0.025371 0.002610 -0.013683 -0.015824 0.020130 6C 1f+3 0.004024 0.028763 0.002073 0.007858 0.015568 -0.002810 6C 1f-3 -0.005150 -0.017153 -0.006101 -0.005822 -0.021343 -0.002098 7C 1s -0.003673 0.002231 0.001280 0.005142 0.000520 -0.000792 7C 2s -0.012411 0.005794 0.003888 0.016079 -0.000559 -0.000605 7C 3s 0.061800 -0.288158 0.153475 0.077004 0.120506 -0.122377 7C 4s -0.028871 1.685249 -0.980798 -1.070086 -0.589095 0.763270 7C 5s -0.988978 1.580853 -0.266686 -0.018706 0.394871 -0.024866 7C 1pz 0.090190 -0.015600 -0.002477 -0.035000 0.024594 0.027181 7C 1px 0.020369 -0.077105 -0.034488 0.048430 0.015783 -0.055097 7C 1py 0.114198 -0.002501 0.019024 0.049847 -0.061726 -0.052705 7C 2pz -0.556770 0.006709 0.184166 0.391748 0.024413 -0.214630 7C 2px -0.125260 -0.024483 0.622469 -0.359826 0.150390 0.325488 7C 2py -0.540486 -0.184395 0.204731 0.003297 0.319921 0.166026 7C 3pz 1.888221 -0.081013 0.140254 -0.408434 0.376590 -0.487336 7C 3px 0.334813 -0.405442 0.281771 -0.396775 0.096856 0.260253 7C 3py 1.378579 -0.209654 0.259161 -0.361277 0.193475 -0.305091 7C 1dz2 -0.025736 0.021627 -0.002788 -0.017656 0.009009 -0.012600 7C 1dxz -0.011446 -0.004542 0.007445 -0.011426 0.009266 -0.006868 7C 1dyz -0.006220 0.024191 -0.003764 0.019974 0.011143 -0.001017 7C 1dx2y2 0.000467 -0.020491 0.014365 -0.013745 -0.014315 0.009844 7C 1dxy -0.002938 -0.023045 0.003019 0.008833 0.014843 -0.009602 7C 2dz2 -0.243943 0.098264 0.156040 0.361424 -0.052807 -0.130527 7C 2dxz -0.067182 -0.468662 -0.136876 0.029980 0.002479 0.183293 7C 2dyz -0.462122 0.137125 -0.000615 -0.195113 0.239653 0.215596 7C 2dx2y2 0.312836 0.032087 -0.243546 -0.136993 -0.234333 0.099112 7C 2dxy 0.156789 -0.088123 -0.239196 0.044398 -0.316568 0.023615 7C 1f0 -0.007080 -0.002976 -0.006448 -0.012804 0.017585 0.010875 7C 1f+1 -0.006029 0.013123 -0.017904 -0.026477 0.017298 0.005865 7C 1f-1 0.024400 0.022323 -0.009999 -0.015699 0.005405 0.001672 7C 1f+2 -0.018637 -0.031035 0.006135 0.006689 0.018136 0.010253 7C 1f-2 0.003906 -0.007764 0.002993 -0.000361 -0.007364 0.006828 7C 1f+3 0.018699 0.020332 -0.003443 0.011549 -0.023343 -0.013963 7C 1f-3 -0.006363 0.025343 -0.026192 -0.011619 -0.023996 0.010447 8C 1s 0.013282 0.001992 0.010386 -0.004636 0.004015 0.000676 8C 2s 0.045395 0.006271 0.039102 -0.017078 0.013610 0.002522 8C 3s -0.261677 0.011164 -0.288377 0.124415 -0.093396 -0.011426 8C 4s -0.230314 -0.182316 0.063555 -0.095322 0.033056 -0.056268 8C 5s 0.549612 -1.567171 -2.177898 0.132265 -0.437436 -0.219576 8C 1pz 0.166171 0.102094 0.244467 0.030667 0.033217 -0.063763 8C 1px 0.034068 -0.133844 0.007324 0.076842 0.033680 -0.059167 8C 1py -0.170772 -0.010923 -0.073259 0.123793 -0.048795 -0.055349 8C 2pz -0.174312 -0.304102 -0.487891 -0.132023 -0.039540 0.207685 8C 2px 0.144344 0.424540 0.155906 -0.226498 -0.031531 0.114053 8C 2py -0.175756 -0.099267 -0.150779 -0.234750 0.014488 0.094585 8C 3pz 0.214128 0.159250 0.576293 -0.058108 0.103481 -0.059078 8C 3px -0.138704 0.173029 0.091351 0.104124 0.091800 -0.063652 8C 3py 0.073921 -0.429794 -0.451418 0.053579 -0.119690 -0.107216 8C 1dz2 -0.012965 -0.016615 -0.004949 0.022505 -0.009850 -0.006032 8C 1dxz 0.017735 0.023600 0.031147 -0.018512 0.008520 0.007236 8C 1dyz -0.043842 0.003466 -0.036238 -0.001791 -0.011973 0.002395 8C 1dx2y2 -0.034800 -0.024925 -0.047636 0.004169 -0.009482 0.016650 8C 1dxy -0.031569 -0.032159 -0.044980 0.023239 -0.018137 -0.009150 8C 2dz2 0.191606 0.181701 0.217567 0.007985 0.027644 -0.019598 8C 2dxz -0.064356 -0.163598 -0.065658 0.223980 -0.015881 -0.164890 8C 2dyz 0.171387 -0.120861 -0.031737 -0.018479 0.040504 0.016973 8C 2dx2y2 0.159780 0.062511 0.203947 0.102163 0.020946 -0.095569 8C 2dxy 0.188790 0.248380 0.264416 -0.120368 0.035772 0.028410 8C 1f0 0.019091 0.050068 0.061363 -0.021684 0.013035 -0.013208 8C 1f+1 0.013862 0.044086 0.031859 -0.020295 0.008931 -0.011554 8C 1f-1 0.034381 -0.001531 0.037721 0.002180 0.010876 0.004614 8C 1f+2 -0.111496 -0.034073 -0.104681 0.048301 -0.032109 -0.014201 8C 1f-2 -0.070752 -0.038523 -0.076459 0.025596 -0.020389 0.015772 8C 1f+3 0.012276 -0.003347 -0.002735 0.008106 -0.003767 -0.006077 8C 1f-3 0.000857 -0.033811 0.008263 0.005899 0.000102 -0.000554 9C 1s -0.010346 0.005405 -0.000677 0.002595 0.003826 0.000153 9C 2s -0.034894 0.018088 -0.000765 0.009498 0.014958 0.000780 9C 3s 0.192587 -0.074042 0.010522 -0.105543 -0.121304 0.032543 9C 4s 0.236219 -0.136851 -0.066126 0.230771 0.082632 -0.239246 9C 5s -0.562778 -0.887568 -0.324703 0.064259 -1.095447 0.574752 9C 1pz -0.108763 0.104645 -0.010947 0.149127 -0.033336 -0.092093 9C 1px 0.025023 -0.106507 -0.037915 -0.056706 -0.031201 0.096663 9C 1py -0.156846 0.019595 -0.013229 -0.089544 0.181679 0.085493 9C 2pz -0.233950 -0.088480 0.040234 -0.376665 0.187419 0.321275 9C 2px -0.236898 0.404411 0.142719 0.146391 0.151595 -0.252856 9C 2py 0.086680 0.037537 0.029742 0.255958 -0.403988 -0.143228 9C 3pz 0.060462 0.272735 0.096802 0.025884 0.173782 -0.174394 9C 3px 0.264351 0.049356 -0.073949 -0.090946 -0.031255 -0.053914 9C 3py -0.064836 0.163681 -0.006050 -0.094380 0.330317 0.081855 9C 1dz2 -0.018271 0.021287 -0.004810 0.011660 0.003632 -0.000648 9C 1dxz -0.022040 0.046022 0.005690 0.009075 0.027750 -0.010183 9C 1dyz -0.037563 0.021033 -0.000169 -0.003892 0.021732 0.004902 9C 1dx2y2 0.014753 -0.005609 -0.010099 -0.013875 -0.018045 0.020056 9C 1dxy -0.010865 0.018512 -0.004599 0.016278 0.001636 -0.016870 9C 2dz2 0.188642 -0.018408 -0.003735 0.186609 -0.162576 -0.158929 9C 2dxz 0.185254 -0.275820 -0.085163 -0.067600 -0.190428 0.118472 9C 2dyz 0.169409 -0.065460 -0.013808 -0.010080 0.020183 -0.078829 9C 2dx2y2 0.018563 0.054847 0.016162 0.150477 -0.089957 -0.113712 9C 2dxy 0.118107 -0.166164 -0.056062 -0.124716 -0.005060 0.149109 9C 1f0 -0.029381 0.025060 0.003700 0.010594 0.010570 -0.028357 9C 1f+1 -0.002813 0.011736 0.006749 -0.001663 0.005007 -0.003001 9C 1f-1 -0.041219 0.005358 -0.008387 -0.000542 -0.001212 0.016744 9C 1f+2 0.054929 -0.073553 -0.009770 -0.027986 -0.041734 0.010147 9C 1f-2 -0.046930 0.014335 0.005761 0.000575 0.021758 0.011964 9C 1f+3 0.046188 -0.061392 -0.008849 -0.010450 -0.044131 -0.005989 9C 1f-3 0.007097 0.022968 0.003920 0.013254 0.003246 -0.015790 10H 1s 0.132424 -0.162335 0.034964 -0.060352 0.127556 0.039893 10H 2s -0.375254 0.379947 -0.050790 0.116093 -0.217233 -0.053896 10H 3s 0.278254 -0.130049 0.038690 -0.129793 0.036141 0.031070 10H 1pz 0.012189 0.032532 -0.019490 -0.012900 -0.048449 -0.013756 10H 1px 0.037082 0.046616 -0.005998 0.042877 -0.009045 -0.074668 10H 1py 0.009709 0.054352 -0.012881 0.108577 0.095854 -0.114619 11H 1s 0.132836 -0.023227 -0.006209 -0.012280 0.025429 -0.004106 11H 2s -0.276818 0.094832 0.022781 0.116728 -0.020150 0.003805 11H 3s -0.140339 0.086671 -0.064172 0.014322 -0.261830 0.067724 11H 1pz 0.089086 -0.118444 0.021119 -0.020026 0.096667 0.050444 11H 1px 0.025934 0.089640 -0.009066 0.071889 0.022367 -0.090795 11H 1py 0.110932 -0.043835 0.016994 0.098932 0.176763 -0.087517 12H 1s 0.151542 -0.107101 0.001447 0.008487 0.054947 -0.066487 12H 2s -0.409416 0.220455 -0.013810 -0.024034 -0.212160 0.130172 12H 3s 0.033334 0.059759 -0.064756 0.201965 0.059304 -0.251454 12H 1pz 0.054295 -0.154453 0.037103 -0.154024 -0.089644 0.122056 12H 1px 0.022925 0.102329 -0.017580 0.027695 -0.053116 -0.071124 12H 1py -0.006359 -0.060214 0.006870 -0.024056 0.015729 0.038404 13H 1s -0.168596 -0.143271 0.223759 0.086087 0.069432 0.028421 13H 2s 0.431225 0.329588 -0.487623 -0.122827 -0.145623 -0.116287 13H 3s -0.263899 -0.071522 0.153414 0.125207 0.017607 0.002578 13H 1pz 0.002382 0.014116 0.043629 -0.059508 0.008409 0.037972 13H 1px -0.025653 0.085271 0.008341 -0.075338 0.020495 0.075360 13H 1py -0.005548 -0.078184 0.066648 -0.031752 -0.016427 0.033785 14H 1s -0.129792 -0.079365 0.175066 0.052566 0.052576 -0.001348 14H 2s 0.371178 0.159311 -0.423993 -0.142716 -0.130475 0.048445 14H 3s -0.074181 0.108976 -0.015484 -0.135364 0.052888 0.138155 14H 1pz -0.014326 -0.154851 0.081488 0.028175 -0.007327 -0.003204 14H 1px 0.013446 0.103428 -0.043921 -0.041301 0.007331 0.034160 14H 1py 0.033646 0.085761 -0.018158 -0.155674 -0.005692 0.102903 15H 1s -0.082985 -0.001673 0.121493 0.036212 0.036204 -0.037794 15H 2s 0.155761 -0.008581 -0.233738 -0.184982 -0.077822 0.108383 15H 3s 0.222255 0.067186 -0.363752 -0.056658 -0.039069 -0.062030 15H 1pz -0.129536 -0.134430 0.212437 -0.018787 0.017522 0.035225 15H 1px -0.070692 0.077436 0.058716 -0.096980 0.020984 0.083673 15H 1py 0.130472 0.130500 -0.163313 -0.003170 -0.016360 -0.017353 16H 1s 0.003181 0.100153 0.004455 0.014263 0.010280 -0.071724 16H 2s -0.008410 -0.298532 -0.039534 -0.026022 -0.046545 0.202811 16H 3s 0.048678 0.137070 0.039047 0.015646 -0.005031 -0.084755 16H 1pz -0.011692 -0.077761 0.010047 -0.015982 -0.012755 0.058369 16H 1px 0.036733 0.007102 -0.046502 0.033639 0.106940 -0.002962 16H 1py 0.038254 -0.050494 -0.035594 0.015543 0.102060 0.015437 17H 1s -0.005258 0.106351 0.031379 -0.011447 0.031021 -0.075728 17H 2s 0.024241 -0.300066 -0.064838 0.021410 -0.086779 0.243399 17H 3s -0.061099 0.144983 0.052918 -0.036244 0.028341 -0.043568 17H 1pz -0.000271 0.089998 0.102681 -0.019238 0.073389 -0.013804 17H 1px -0.033773 -0.090933 -0.272496 -0.018550 -0.013792 -0.141254 17H 1py -0.030888 -0.233060 -0.284496 0.004710 -0.052129 -0.031673 18H 1s 0.010405 0.099719 -0.023300 -0.009726 -0.036319 -0.073904 18H 2s -0.051214 -0.271218 0.041733 0.015942 0.103823 0.238997 18H 3s -0.015651 0.128345 -0.041511 -0.036282 -0.033124 -0.041538 18H 1pz 0.002650 -0.100373 0.104623 0.015647 0.073672 0.008713 18H 1px 0.010158 0.110050 -0.276054 0.017992 0.003502 0.146800 18H 1py 0.036274 0.235088 -0.275679 -0.003858 -0.041655 0.040553 19H 1s 0.025898 0.092446 0.002136 0.015155 -0.012533 -0.070440 19H 2s -0.055187 -0.283641 0.021452 -0.029119 0.051237 0.197195 19H 3s 0.070079 0.126554 -0.029075 0.013396 0.002764 -0.080866 19H 1pz 0.024423 0.068062 0.016210 0.016507 -0.011870 -0.054568 19H 1px 0.037304 -0.022603 -0.042808 -0.036509 0.095197 -0.005906 19H 1py 0.021706 0.038692 -0.028395 -0.018502 0.091855 -0.025587 20H 1s -0.135393 0.019309 -0.121705 0.039450 -0.039166 -0.036067 20H 2s 0.274665 -0.051403 0.233085 -0.191221 0.078616 0.104895 20H 3s 0.174186 0.083809 0.363832 -0.052258 0.026777 -0.070481 20H 1pz 0.115571 0.138122 0.215251 0.021597 0.013960 -0.039361 20H 1px 0.049270 -0.073224 0.055058 0.097706 0.011466 -0.084768 20H 1py -0.120690 -0.133034 -0.166720 0.003118 -0.016765 0.020249 21H 1s -0.154659 -0.060468 -0.176660 0.056532 -0.046227 -0.001266 21H 2s 0.414986 0.123404 0.427125 -0.151026 0.121352 0.044686 21H 3s -0.056813 0.111625 0.023668 -0.135842 -0.034103 0.137201 21H 1pz 0.007747 0.158080 0.086226 -0.026923 -0.005175 0.001661 21H 1px -0.009502 -0.105371 -0.047424 0.040700 0.003146 -0.033741 21H 1py -0.063638 -0.072948 -0.021743 0.160097 -0.011867 -0.103730 22H 1s -0.160435 -0.144202 -0.229113 0.088075 -0.061248 0.034996 22H 2s 0.454060 0.312394 0.498235 -0.129895 0.126061 -0.126606 22H 3s -0.289145 -0.059001 -0.152937 0.125078 -0.013576 0.006120 22H 1pz -0.023964 -0.006400 0.043139 0.061632 0.004850 -0.039788 22H 1px 0.013107 -0.084333 0.005054 0.074669 0.010324 -0.074844 22H 1py -0.014786 0.086092 0.068908 0.033730 -0.016306 -0.034484 23H 1s 0.093435 -0.094623 -0.004231 0.005155 -0.058582 -0.058165 23H 2s -0.300680 0.196863 0.021638 -0.020300 0.224016 0.107624 23H 3s 0.009009 0.059695 0.068008 0.205511 -0.063595 -0.246348 23H 1pz -0.015781 0.143512 0.038578 0.160108 -0.087203 -0.119180 23H 1px 0.003599 -0.104299 -0.019097 -0.023580 -0.050021 0.071502 23H 1py -0.004435 0.060790 0.007908 0.023756 0.010979 -0.038572 24H 1s 0.089606 -0.018624 0.005781 -0.016653 -0.028270 0.000790 24H 2s -0.185370 0.088207 -0.022232 0.127345 0.032513 -0.006884 24H 3s -0.193015 0.098256 0.069665 0.006367 0.261320 0.047532 24H 1pz -0.104715 0.119361 0.024483 0.017965 0.091144 -0.056811 24H 1px -0.013311 -0.090804 -0.008824 -0.071074 0.021567 0.087394 24H 1py -0.137646 0.050203 0.018787 -0.104058 0.173841 0.076390 25H 1s 0.128295 -0.158807 -0.043084 -0.061548 -0.124906 0.051734 25H 2s -0.317498 0.361266 0.068922 0.122921 0.208551 -0.076795 25H 3s 0.260947 -0.121222 -0.042208 -0.129453 -0.042230 0.031863 25H 1pz 0.014850 -0.036550 -0.019190 0.014941 -0.044524 0.014940 25H 1px -0.009312 -0.051681 -0.005206 -0.039648 -0.009106 0.071927 25H 1py -0.021985 -0.050149 -0.012979 -0.111197 0.095745 0.108313 26O 1s 0.007338 -0.004294 0.002943 -0.000741 0.003432 -0.001445 26O 2s 0.019497 -0.011233 0.007135 -0.002559 0.008604 -0.003502 26O 3s -0.031311 0.026437 0.011699 0.006945 -0.002050 0.002000 26O 4s -0.556843 0.312721 -0.231519 0.066943 -0.242729 0.082019 26O 5s 2.171872 -1.669453 -1.089321 -0.042220 -0.194251 -0.321227 26O 1pz 0.090525 -0.004242 -0.012204 0.023977 0.069099 -0.052448 26O 1px -0.060224 0.019527 0.028983 -0.014172 0.023998 0.016522 26O 1py 0.017689 -0.011106 -0.014962 -0.045095 0.000446 0.049015 26O 2pz -0.069146 0.046930 0.021106 -0.043420 -0.054876 0.048341 26O 2px 0.084230 -0.034159 0.199029 -0.044400 0.091270 0.003532 26O 2py 0.007779 0.031198 0.104862 0.003987 0.059640 -0.031464 26O 3pz 0.846592 0.083596 0.022961 0.060308 0.251036 -0.432397 26O 3px -0.385677 0.838396 0.644994 -0.123849 0.336117 0.069647 26O 3py 0.382574 0.187288 0.418389 -0.140171 0.110203 -0.036981 26O 1dz2 -0.001316 0.003056 -0.001485 0.000560 0.003967 -0.002908 26O 1dxz 0.000486 0.002828 0.000205 0.001207 0.003336 0.000059 26O 1dyz 0.001009 -0.000663 -0.000525 0.002795 0.001011 -0.001212 26O 1dx2y2 0.000583 -0.003912 0.001054 0.001515 -0.001419 0.000853 26O 1dxy 0.000909 0.001377 -0.001072 -0.000819 0.003785 -0.002311 26O 2dz2 0.045273 0.030507 0.053796 -0.141369 0.006589 0.025311 26O 2dxz -0.164217 -0.149961 0.001562 -0.065146 -0.061977 0.196641 26O 2dyz 0.214023 -0.217823 -0.008102 0.054266 0.064586 -0.028217 26O 2dx2y2 0.102273 -0.174104 -0.096395 0.039873 -0.114530 0.007816 26O 2dxy 0.034438 -0.059807 -0.180859 0.049008 -0.034739 -0.067010 26O 1f0 0.002413 0.000982 -0.001008 -0.000809 -0.002825 0.001729 26O 1f+1 -0.001818 -0.002423 -0.003788 -0.006236 -0.008992 0.004907 26O 1f-1 -0.000652 -0.001423 -0.001032 -0.002446 -0.002803 0.001144 26O 1f+2 -0.003079 0.002027 -0.000859 -0.001475 -0.002559 0.000844 26O 1f-2 0.000771 -0.002035 0.002466 0.002944 0.001163 -0.002064 26O 1f+3 -0.001325 -0.000338 -0.002344 0.002458 -0.003535 -0.000670 26O 1f-3 -0.001998 0.000309 -0.005064 0.000851 0.002050 0.001414 27O 1s -0.007441 -0.001888 0.008884 0.004737 0.001286 -0.001911 27O 2s -0.019934 -0.005166 0.021865 0.012373 0.003047 -0.004189 27O 3s 0.033459 0.022752 -0.006523 -0.014572 -0.009145 -0.011686 27O 4s 0.546284 0.116143 -0.577169 -0.350292 -0.058777 0.224241 27O 5s -1.764194 -1.002736 -0.296567 0.629849 0.748923 0.068336 27O 1pz -0.040281 -0.025373 0.048687 0.028127 0.037848 -0.021098 27O 1px 0.017368 -0.006517 0.003282 -0.004048 -0.013129 0.013267 27O 1py 0.070924 -0.022348 -0.079018 0.033210 -0.024251 -0.045464 27O 2pz 0.032851 0.041263 -0.068062 -0.041297 -0.040538 0.020963 27O 2px -0.103782 0.013376 0.266583 0.147419 -0.076635 -0.167636 27O 2py -0.042591 -0.021532 0.050400 -0.037587 0.060997 0.063348 27O 3pz -0.552518 -0.080581 0.115661 0.183553 0.022621 0.023179 27O 3px 0.023349 0.743542 0.588146 -0.210957 -0.366414 0.274408 27O 3py 0.731219 -0.524075 -0.447293 -0.064942 -0.110603 -0.183194 27O 1dz2 -0.000492 -0.001396 -0.004569 -0.001580 -0.000952 0.001369 27O 1dxz 0.000133 0.004007 0.002685 -0.001231 -0.000059 0.005062 27O 1dyz 0.001141 0.001080 -0.003882 0.001195 -0.003442 -0.001530 27O 1dx2y2 -0.000841 -0.003959 -0.000723 0.004122 -0.001434 -0.004949 27O 1dxy 0.001607 -0.001232 -0.005838 0.003023 -0.004299 -0.000732 27O 2dz2 -0.033741 0.022438 0.067795 -0.120476 -0.087855 0.116866 27O 2dxz 0.076550 0.091220 -0.054390 -0.051612 -0.016235 0.114696 27O 2dyz 0.280520 0.049803 -0.097265 -0.048177 -0.089493 -0.000213 27O 2dx2y2 0.065256 -0.091200 -0.022128 -0.077535 0.080226 -0.012824 27O 2dxy 0.014505 0.301322 0.066080 -0.050608 -0.014498 0.050599 27O 1f0 -0.001067 -0.000536 0.004959 -0.000050 0.000418 0.002087 27O 1f+1 -0.000980 -0.001843 -0.002441 -0.008293 0.002451 0.008466 27O 1f-1 0.000264 -0.000643 0.000550 0.000489 0.000558 -0.002320 27O 1f+2 0.002026 -0.000460 -0.001334 -0.001758 0.001827 0.000232 27O 1f-2 0.002802 0.001657 0.000308 -0.002356 0.001389 0.003844 27O 1f+3 0.004096 -0.002794 -0.012726 0.002921 -0.002188 -0.000356 27O 1f-3 0.001327 -0.000078 0.005278 0.001547 -0.002352 -0.004143 28O 1s 0.007645 -0.002505 -0.000200 -0.004629 0.003048 0.002381 28O 2s 0.019914 -0.007004 -0.000051 -0.012104 0.008017 0.006126 28O 3s -0.026272 0.036870 -0.006609 0.015665 -0.021583 -0.013213 28O 4s -0.561129 -0.010800 0.049134 0.181189 -0.054410 0.016353 28O 5s 1.950937 -1.424652 0.028590 0.384619 -0.069940 -0.659817 28O 1pz 0.041937 -0.060223 0.042227 -0.058665 0.010301 0.047370 28O 1px 0.075655 -0.034873 0.008884 -0.007300 -0.001933 0.004581 28O 1py 0.063478 -0.035132 -0.011127 0.027310 0.073537 -0.028205 28O 2pz -0.006388 0.174877 -0.006561 -0.053015 0.002746 0.009283 28O 2px -0.102947 -0.130577 0.023493 0.102231 -0.014879 -0.044951 28O 2py -0.043659 0.061045 0.031788 -0.030034 -0.041321 0.031103 28O 3pz 0.730449 -0.119965 -0.017456 -0.704354 0.096620 0.322253 28O 3px 0.509222 -0.477459 -0.062915 0.144481 -0.087306 -0.175032 28O 3py 0.696187 -0.368465 0.117330 -0.076950 0.191081 -0.120895 28O 1dz2 0.002165 -0.005012 -0.000884 -0.002168 0.004901 0.005008 28O 1dxz -0.001273 -0.003788 0.001124 -0.002462 -0.001808 0.000919 28O 1dyz 0.003360 -0.008000 -0.001026 -0.003539 0.000517 0.002191 28O 1dx2y2 -0.001685 0.005005 -0.001486 -0.001234 -0.001236 -0.000198 28O 1dxy 0.000083 -0.001973 -0.000739 0.002246 0.003645 0.002307 28O 2dz2 -0.027077 -0.016060 -0.041603 0.108638 0.037408 -0.030071 28O 2dxz 0.053097 0.011916 0.009512 -0.254198 -0.044501 0.100395 28O 2dyz 0.178608 -0.122482 -0.050998 -0.101950 -0.113480 0.033103 28O 2dx2y2 0.071952 0.024455 -0.075654 -0.021291 -0.032244 -0.007509 28O 2dxy 0.236107 -0.120312 0.010772 0.083318 0.175715 -0.053309 28O 1f0 -0.001922 0.001494 0.000287 0.004070 -0.001087 -0.005559 28O 1f+1 0.001695 -0.000987 -0.002743 0.005410 -0.001034 -0.004491 28O 1f-1 -0.000205 0.004113 0.002002 -0.001797 0.000049 0.001716 28O 1f+2 0.004391 0.003032 -0.001790 -0.003461 0.003705 0.003272 28O 1f-2 -0.000316 -0.003788 0.001007 0.001557 -0.000378 -0.002804 28O 1f+3 0.002680 0.002471 -0.000864 -0.004372 -0.002383 0.000830 28O 1f-3 0.000670 -0.001237 -0.000179 0.000578 0.000569 -0.001284 29O 1s 0.000086 0.001756 0.001543 0.000261 0.000356 -0.001874 29O 2s 0.000202 0.007794 0.004507 0.000791 0.001727 -0.007774 29O 3s 0.001239 -0.099869 -0.023704 -0.003349 -0.023505 0.087782 29O 4s -0.011672 0.251495 -0.036396 0.015777 0.083612 -0.264473 29O 5s 0.007938 0.312047 0.344168 -0.077993 -0.031076 0.067232 29O 1pz -0.008926 0.022872 -0.011165 0.006212 -0.000142 -0.001034 29O 1px -0.008202 -0.018782 0.009427 0.010323 -0.003915 0.013313 29O 1py 0.000469 0.060517 0.032595 0.011285 -0.012619 -0.032737 29O 2pz 0.009535 -0.040561 0.026004 -0.028037 0.056375 0.013099 29O 2px 0.005073 0.110853 0.065402 -0.025480 0.029183 -0.054270 29O 2py 0.003938 -0.163403 -0.050027 -0.002506 -0.017634 0.107769 29O 3pz 0.014266 -0.003575 -0.044497 0.017626 -0.088288 -0.028263 29O 3px -0.007220 -0.138622 -0.119113 0.050621 0.008170 -0.030632 29O 3py -0.001607 0.064068 0.148457 -0.040172 -0.053892 0.086001 29O 1dz2 -0.000044 0.001379 0.000000 -0.000577 0.001994 -0.000695 29O 1dxz 0.000378 -0.000932 -0.002506 0.000527 -0.000711 -0.000922 29O 1dyz 0.000365 -0.000578 -0.000440 0.000640 0.000769 -0.000819 29O 1dx2y2 -0.000089 -0.003498 -0.001952 0.000745 -0.000009 -0.001535 29O 1dxy 0.000445 -0.000279 -0.000466 -0.000852 -0.000231 0.000188 29O 2dz2 -0.028805 -0.031231 -0.080566 -0.004696 -0.065050 -0.035314 29O 2dxz 0.053812 0.042406 0.039822 0.043026 0.115061 0.022656 29O 2dyz 0.057048 0.082216 0.160149 0.016900 0.093433 0.053980 29O 2dx2y2 0.028139 0.221049 0.370833 -0.013100 -0.020238 0.095070 29O 2dxy 0.024875 0.012309 -0.040911 0.013727 0.023901 -0.013118 29O 1f0 -0.000375 -0.010702 0.000936 -0.000430 -0.002466 0.009317 29O 1f+1 0.000006 0.005007 -0.000360 -0.000382 0.003225 -0.003978 29O 1f-1 -0.000238 -0.014850 -0.004558 -0.001146 0.000070 0.008696 29O 1f+2 -0.000206 0.002061 -0.003810 0.000082 -0.000283 -0.003709 29O 1f-2 0.001524 -0.011687 -0.005263 0.002814 -0.005270 0.006575 29O 1f+3 -0.000396 0.004691 0.002417 -0.000871 0.001742 -0.001228 29O 1f-3 -0.001145 0.005799 0.003583 -0.000534 0.002529 -0.003194 30O 1s -0.008128 -0.001712 0.004682 0.000284 -0.000503 0.003277 30O 2s -0.022081 -0.004563 0.011635 0.001062 -0.001464 0.008301 30O 3s 0.052132 0.027827 -0.014355 -0.005080 -0.003970 -0.013522 30O 4s 0.446232 -0.083086 -0.238935 -0.001376 0.048638 -0.167256 30O 5s -1.882742 -0.594147 0.492838 0.533989 0.509931 0.119477 30O 1pz -0.032161 -0.019962 0.088268 -0.014040 0.011702 0.007269 30O 1px -0.074632 -0.020487 0.092725 0.007184 0.027708 0.003030 30O 1py 0.048530 0.068497 -0.091846 -0.067113 -0.015163 0.036755 30O 2pz 0.002476 0.101233 -0.035135 -0.038138 -0.069006 0.050356 30O 2px 0.066669 -0.086350 -0.063523 0.061533 0.047804 -0.093067 30O 2py -0.019028 -0.133060 0.044118 0.074973 0.082189 -0.073659 30O 3pz -0.430988 -0.043413 0.246591 0.155766 -0.115321 -0.060470 30O 3px -0.706544 -0.302730 0.215663 0.143237 0.262985 0.099097 30O 3py 0.629241 0.056890 -0.383163 -0.557966 0.094898 0.349679 30O 1dz2 0.000629 0.001316 -0.001228 0.001569 0.000702 0.000068 30O 1dxz -0.001233 -0.006118 0.002265 0.000981 -0.001777 -0.003835 30O 1dyz 0.002884 0.006983 -0.007263 -0.001823 -0.003359 -0.000396 30O 1dx2y2 0.000724 0.006132 -0.009370 -0.005492 -0.001898 0.006086 30O 1dxy -0.000982 0.003970 -0.000034 -0.005939 -0.001695 0.002906 30O 2dz2 0.179434 0.035970 -0.113829 0.092095 -0.067799 -0.077195 30O 2dxz -0.136132 -0.120442 0.069859 -0.035285 -0.062311 0.011092 30O 2dyz 0.157588 0.113214 0.001128 0.036097 -0.055572 -0.096245 30O 2dx2y2 -0.105479 -0.004123 0.100042 0.031658 0.048491 -0.014642 30O 2dxy 0.107851 -0.017227 0.008493 -0.240864 0.019871 0.130015 30O 1f0 0.001522 -0.003877 0.000886 0.002903 0.002990 -0.006444 30O 1f+1 -0.000272 0.000376 -0.001026 0.001430 0.001661 -0.000286 30O 1f-1 0.000275 0.000443 0.000318 0.001019 0.001907 -0.001158 30O 1f+2 -0.000333 -0.000562 0.002809 0.002652 0.003613 -0.003322 30O 1f-2 -0.002684 0.001541 0.004262 -0.003953 -0.003259 0.005790 30O 1f+3 -0.002422 -0.000005 0.000324 -0.001019 -0.000408 -0.001906 30O 1f-3 -0.001166 -0.003468 0.007106 0.001481 -0.001529 -0.001272 31O 1s -0.009457 -0.001335 -0.004675 0.000281 0.000796 0.003272 31O 2s -0.024795 -0.003809 -0.011608 0.001031 0.002239 0.008285 31O 3s 0.038223 0.031983 0.015044 -0.004890 0.002402 -0.014136 31O 4s 0.632352 -0.145652 0.233682 -0.003751 -0.065971 -0.161180 31O 5s -2.089063 -0.434084 -0.543457 0.567354 -0.455314 0.134599 31O 1pz 0.024779 0.022875 0.088619 0.014910 0.009834 -0.008752 31O 1px 0.096827 0.009168 0.094647 -0.009109 0.027413 -0.004504 31O 1py -0.051904 -0.065385 -0.092925 0.068676 -0.018437 -0.035036 31O 2pz 0.022768 -0.102861 -0.040382 0.040465 -0.070438 -0.046990 31O 2px -0.139830 0.105310 -0.058709 -0.062317 0.053984 0.089499 31O 2py 0.009833 0.127453 0.050672 -0.079511 0.088165 0.069023 31O 3pz 0.452075 0.044467 0.237757 -0.149142 -0.119924 0.066302 31O 3px 0.776907 0.244045 0.239414 -0.158630 0.238551 -0.109769 31O 3py -0.785578 -0.010094 -0.374435 0.557499 0.067714 -0.349866 31O 1dz2 0.000685 0.001460 0.001366 0.001648 -0.000567 0.000002 31O 1dxz -0.000815 -0.006167 -0.002423 0.000917 0.001524 -0.004020 31O 1dyz 0.003797 0.006508 0.007498 -0.002036 0.003344 -0.000539 31O 1dx2y2 0.001794 0.005569 0.009594 -0.005608 0.002463 0.005854 31O 1dxy -0.000342 0.003777 0.000228 -0.006026 0.001833 0.002722 31O 2dz2 0.186631 0.032788 0.117919 0.090835 0.059431 -0.082347 31O 2dxz -0.079580 -0.141440 -0.067943 -0.039963 0.068029 0.006743 31O 2dyz 0.186178 0.092620 0.005311 0.030700 0.047701 -0.094661 31O 2dx2y2 -0.116938 0.004940 -0.099671 0.034889 -0.049174 -0.011801 31O 2dxy 0.154332 -0.027641 -0.012864 -0.241726 -0.012006 0.130171 31O 1f0 -0.003185 0.004032 0.001026 -0.003012 0.003449 0.006316 31O 1f+1 -0.000370 -0.000300 -0.001049 -0.001530 0.001505 0.000218 31O 1f-1 -0.000883 -0.000375 0.000319 -0.001115 0.001880 0.001185 31O 1f+2 0.002322 -0.000234 0.002810 -0.002871 0.003927 0.003152 31O 1f-2 0.004679 -0.001776 0.004163 0.004099 -0.003494 -0.005651 31O 1f+3 0.002733 -0.000206 0.000260 0.001043 -0.000125 0.001971 31O 1f-3 0.003000 0.002863 0.007168 -0.001468 -0.001318 0.001283 32O 1s 0.000234 0.001792 -0.001465 0.000348 -0.000437 -0.001887 32O 2s 0.001098 0.007679 -0.004061 0.001092 -0.002064 -0.007775 32O 3s -0.016121 -0.093179 0.016222 -0.005588 0.027434 0.086735 32O 4s 0.042346 0.223038 0.059716 0.020481 -0.095210 -0.259481 32O 5s 0.064572 0.313771 -0.333806 -0.079021 0.031352 0.068466 32O 1pz 0.005572 -0.020482 -0.012465 -0.005947 -0.001445 0.000412 32O 1px 0.004789 0.018963 0.011465 -0.009709 -0.005457 -0.013624 32O 1py -0.010067 -0.057786 0.028989 -0.010909 -0.010331 0.033029 32O 2pz 0.017166 0.028656 0.029314 0.025971 0.059696 -0.012772 32O 2px -0.016428 -0.107429 0.056986 0.023454 0.033751 0.053679 32O 2py 0.025979 0.151661 -0.037022 0.004220 -0.022313 -0.105923 32O 3pz -0.060787 0.022307 -0.050927 -0.014878 -0.081408 0.034676 32O 3px -0.004077 0.142122 -0.112526 -0.052266 0.009775 0.031942 32O 3py -0.009671 -0.065011 0.142857 0.042929 -0.057823 -0.083195 32O 1dz2 0.000050 0.001471 -0.000025 -0.000462 -0.001950 -0.000559 32O 1dxz 0.000247 -0.000907 0.002499 0.000532 0.000607 -0.000971 32O 1dyz 0.000211 -0.000482 0.000465 0.000685 -0.000955 -0.000858 32O 1dx2y2 -0.000388 -0.003484 0.001838 0.000825 -0.000065 -0.001580 32O 1dxy 0.000421 -0.000491 0.000584 -0.000852 0.000234 0.000134 32O 2dz2 0.007685 -0.047241 0.089248 -0.007233 0.058024 -0.044214 32O 2dxz -0.017015 0.058291 -0.044992 0.044996 -0.098805 0.034611 32O 2dyz 0.003372 0.106686 -0.168193 0.018974 -0.075975 0.065728 32O 2dx2y2 0.039567 0.229325 -0.361535 -0.014510 0.031606 0.095549 32O 2dxy -0.001616 0.017032 0.036312 0.014353 -0.022254 -0.008971 32O 1f0 0.002595 0.008706 0.002046 0.000521 -0.002801 -0.008600 32O 1f+1 -0.000678 -0.005288 -0.000551 0.000308 0.003574 0.004190 32O 1f-1 0.004517 0.014008 -0.003591 0.001183 -0.000433 -0.008915 32O 1f+2 -0.000688 -0.002302 -0.003844 -0.000059 0.000095 0.004190 32O 1f-2 -0.000282 0.010903 -0.004520 -0.002594 -0.005711 -0.006085 32O 1f+3 -0.000152 -0.004059 0.001918 0.000765 0.001607 0.000860 32O 1f-3 0.000593 -0.005672 0.003366 0.000432 0.002792 0.002917 33O 1s 0.006466 -0.002186 -0.000044 -0.004650 -0.002876 0.002645 33O 2s 0.017438 -0.006318 -0.000560 -0.012144 -0.007593 0.006819 33O 3s -0.032849 0.037973 0.007558 0.015474 0.020405 -0.014861 33O 4s -0.415196 -0.042129 -0.033353 0.186525 0.053756 0.007534 33O 5s 1.494549 -1.336559 -0.103727 0.347371 0.032881 -0.638413 33O 1pz -0.037516 0.056624 0.041318 0.059875 0.009678 -0.048875 33O 1px -0.046433 0.029609 0.011415 0.009777 -0.001484 -0.005286 33O 1py -0.064289 0.037119 -0.010071 -0.027401 0.073633 0.021384 33O 2pz -0.018769 -0.168192 -0.006290 0.050613 -0.000556 -0.008312 33O 2px 0.068375 0.137971 0.019774 -0.103189 -0.009986 0.045767 33O 2py 0.020975 -0.058090 0.030009 0.028940 -0.042285 -0.026131 33O 3pz -0.680559 0.109724 -0.025705 0.697965 0.128597 -0.330422 33O 3px -0.338286 0.442354 -0.031721 -0.127461 -0.086575 0.174527 33O 3py -0.632729 0.357046 0.130919 0.077021 0.206882 0.100166 33O 1dz2 0.001933 -0.004847 0.000883 -0.002024 -0.004753 0.005262 33O 1dxz -0.000879 -0.003838 -0.001004 -0.002499 0.001446 0.000729 33O 1dyz 0.001101 -0.007408 0.000878 -0.003723 -0.000599 0.002374 33O 1dx2y2 -0.001225 0.004911 0.001381 -0.001187 0.001348 -0.000465 33O 1dxy 0.000286 -0.001878 0.000629 0.002439 -0.003185 0.002477 33O 2dz2 -0.003653 -0.022075 0.037365 0.111846 -0.029723 -0.029594 33O 2dxz 0.088750 0.007033 -0.001266 -0.252492 0.031898 0.097027 33O 2dyz 0.103407 -0.103212 0.044494 -0.106633 0.112323 0.026654 33O 2dx2y2 0.017373 0.031281 0.070837 -0.026437 0.029729 -0.009159 33O 2dxy 0.226226 -0.114869 -0.016380 0.088472 -0.168451 -0.041844 33O 1f0 0.001382 -0.001304 0.000259 -0.004024 -0.000854 0.005520 33O 1f+1 -0.001013 0.000985 -0.002975 -0.005392 -0.000622 0.004434 33O 1f-1 -0.001372 -0.003961 0.002234 0.001630 -0.000294 -0.001590 33O 1f+2 -0.003392 -0.003189 -0.001599 0.003419 0.003403 -0.003534 33O 1f-2 0.000575 0.003767 0.000955 -0.001611 0.000021 0.002794 33O 1f+3 -0.001726 -0.002505 -0.000731 0.004515 -0.002299 -0.000748 33O 1f-3 -0.000414 0.001138 -0.000199 -0.000654 0.000592 0.001327 34O 1s -0.006999 -0.001903 -0.008927 0.004756 -0.001181 -0.001732 34O 2s -0.018868 -0.005268 -0.021997 0.012409 -0.002691 -0.003737 34O 3s 0.037041 0.022307 0.007706 -0.015043 0.006876 -0.012205 34O 4s 0.520085 0.113833 0.579490 -0.350376 0.064183 0.212773 34O 5s -2.421695 -0.756842 0.225696 0.687766 -0.714382 0.081339 34O 1pz 0.064318 0.016752 0.048436 -0.029976 0.039718 0.018339 34O 1px -0.049699 0.019964 0.002151 0.005795 -0.014590 -0.013848 34O 1py -0.079105 0.027368 -0.078063 -0.031621 -0.019107 0.045937 34O 2pz -0.048880 -0.034310 -0.069762 0.042921 -0.041163 -0.017475 34O 2px 0.038294 0.005919 0.261759 -0.141112 -0.065382 0.165826 34O 2py 0.065914 0.009415 0.053181 0.033452 0.054247 -0.064616 34O 3pz 0.612912 0.047064 0.116202 -0.187755 0.006398 -0.020967 34O 3px -0.357906 -0.621559 0.542777 0.245314 -0.394060 -0.277206 34O 3py -0.715519 0.524097 -0.427837 0.062808 -0.068274 0.197010 34O 1dz2 -0.000768 -0.001440 0.004479 -0.001629 0.001041 0.001332 34O 1dxz -0.000217 0.003956 -0.002511 -0.001325 0.000433 0.005076 34O 1dyz 0.001097 0.000838 0.003938 0.001032 0.003248 -0.001654 34O 1dx2y2 -0.000908 -0.003921 0.000586 0.004043 0.000873 -0.005007 34O 1dxy 0.000967 -0.001199 0.005758 0.002824 0.004182 -0.001054 34O 2dz2 0.047249 -0.008393 -0.062936 -0.128750 0.098281 0.115956 34O 2dxz 0.102613 0.069543 0.054004 -0.057019 0.023018 0.117868 34O 2dyz 0.258826 0.052863 0.099757 -0.050444 0.083943 -0.006219 34O 2dx2y2 -0.043239 -0.048448 0.014181 -0.070959 -0.089191 -0.013031 34O 2dxy 0.006713 0.303522 -0.053154 -0.052969 0.021595 0.050734 34O 1f0 0.000614 0.000534 0.004973 0.000012 0.000287 -0.002107 34O 1f+1 0.000471 0.002166 -0.002281 0.008236 0.001834 -0.008581 34O 1f-1 -0.000207 0.000573 0.000542 -0.000513 0.000870 0.002255 34O 1f+2 -0.000755 -0.000080 -0.001336 0.001572 0.001910 -0.000204 34O 1f-2 -0.002014 -0.001904 0.000290 0.002256 0.001167 -0.003890 34O 1f+3 -0.002366 0.002471 -0.012521 -0.002949 -0.002087 0.000658 34O 1f-3 -0.002448 0.000331 0.005159 -0.001386 -0.002126 0.004261 35O 1s 0.008276 -0.004639 -0.002957 -0.000820 -0.003667 -0.001036 35O 2s 0.022129 -0.012094 -0.007207 -0.002748 -0.009174 -0.002494 35O 3s -0.034469 0.026030 -0.010016 0.007106 0.001783 0.001843 35O 4s -0.584723 0.334449 0.228980 0.071642 0.263707 0.054558 35O 5s 1.505768 -1.549399 0.977145 -0.068582 0.146793 -0.329205 35O 1pz -0.063559 0.000406 -0.009273 -0.022681 0.069321 0.044766 35O 1px 0.027120 -0.015131 0.029047 0.011754 0.021683 -0.017836 35O 1py -0.014882 0.009332 -0.014053 0.046004 -0.001907 -0.048774 35O 2pz 0.037590 -0.041651 0.014738 0.041764 -0.054896 -0.041829 35O 2px -0.154563 0.056709 0.184890 0.045883 0.099602 -0.013890 35O 2py -0.053032 -0.018821 0.096410 -0.005839 0.064611 0.025922 35O 3pz -0.798953 -0.081140 0.034024 -0.058161 0.274800 0.403898 35O 3px 0.042752 -0.771339 0.602514 0.109292 0.315370 -0.096971 35O 3py -0.432296 -0.186638 0.410114 0.140907 0.101374 0.021937 35O 1dz2 -0.001381 0.002912 0.001287 0.000572 -0.003979 -0.002509 35O 1dxz 0.000020 0.002904 -0.000209 0.001213 -0.003047 0.000310 35O 1dyz -0.000429 -0.000400 0.000332 0.002642 -0.000793 -0.001025 35O 1dx2y2 0.001136 -0.004107 -0.000878 0.001481 0.001282 0.000709 35O 1dxy 0.000895 0.001215 0.001190 -0.000756 -0.004078 -0.001941 35O 2dz2 0.087732 0.022300 -0.051914 -0.142254 -0.011819 0.029058 35O 2dxz -0.142913 -0.149780 -0.005267 -0.063982 0.073971 0.188351 35O 2dyz 0.210048 -0.215338 0.000557 0.055970 -0.062741 -0.025112 35O 2dx2y2 -0.020180 -0.149608 0.093737 0.032356 0.111290 0.001123 35O 2dxy -0.017030 -0.062007 0.175637 0.045242 0.023971 -0.067868 35O 1f0 -0.001466 -0.001374 -0.000869 0.000889 -0.003009 -0.001482 35O 1f+1 0.003675 0.001631 -0.003574 0.006362 -0.008914 -0.004195 35O 1f-1 0.000652 0.001278 -0.001041 0.002383 -0.002664 -0.000885 35O 1f+2 0.003850 -0.002158 -0.000904 0.001626 -0.002505 -0.000709 35O 1f-2 -0.002610 0.002654 0.002128 -0.002998 0.001470 0.002006 35O 1f+3 0.001659 0.000274 -0.002218 -0.002390 -0.003438 0.000957 35O 1f-3 0.002566 -0.000946 -0.004459 -0.001204 0.001443 -0.001222 390 391 392 393 394 395 2.11299 2.11898 2.12093 2.12697 2.13053 2.14426 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s 0.003096 -0.000831 -0.001910 0.003314 0.000952 0.001467 0Rh 2s -0.014284 0.004735 0.010066 -0.016717 -0.004262 -0.008448 0Rh 3s 0.009495 -0.002002 -0.005092 0.009308 0.003001 0.003477 0Rh 4s 0.070996 -0.023790 -0.050178 0.083939 0.021068 0.042531 0Rh 5s -0.087154 0.037303 0.069708 -0.121602 -0.023242 -0.067572 0Rh 6s -0.117480 0.001560 0.049344 -0.043591 -0.050102 0.001258 0Rh 7s 0.517132 0.089040 -0.291309 0.150103 0.151424 -0.025368 0Rh 8s -0.750350 -0.088591 0.750779 0.572821 -0.454829 0.058218 0Rh 1pz 0.001697 0.004377 -0.001838 0.004521 0.000197 0.006588 0Rh 1px -0.001186 0.001825 0.001425 0.002204 -0.006010 0.002600 0Rh 1py -0.006037 -0.007404 -0.004791 0.010211 0.000978 -0.003133 0Rh 2pz -0.005897 -0.015106 0.006488 -0.015903 -0.000098 -0.022871 0Rh 2px 0.003307 -0.006752 -0.004643 -0.007261 0.020904 -0.008218 0Rh 2py 0.021010 0.025324 0.017034 -0.035443 -0.003587 0.010946 0Rh 3pz 0.001801 0.003761 -0.004694 0.010341 -0.012639 0.007853 0Rh 3px 0.016335 0.011307 -0.004793 -0.005382 -0.008421 -0.014339 0Rh 3py -0.009194 -0.002213 -0.015166 0.012582 0.005186 -0.005613 0Rh 4pz 0.036073 0.085942 -0.025236 0.064857 0.054191 0.125247 0Rh 4px -0.093154 -0.000288 0.052650 0.070184 -0.109393 0.114981 0Rh 4py -0.103336 -0.157359 -0.051395 0.190509 0.003749 -0.050275 0Rh 5pz -0.081990 -0.152682 0.056658 -0.111483 -0.110348 -0.239081 0Rh 5px 0.218627 -0.002080 -0.124637 -0.133442 0.229089 -0.214729 0Rh 5py 0.194238 0.277478 0.090899 -0.355836 -0.000467 0.089940 0Rh 6pz -0.508129 0.048654 -0.214473 -0.515701 0.066689 0.949227 0Rh 6px -1.115721 -0.204190 0.509577 0.607867 -0.442509 0.771373 0Rh 6py -0.149326 -1.041318 -0.188510 0.436528 -0.665860 -0.045473 0Rh 1dz2 0.008125 0.011329 -0.004118 -0.003816 -0.008303 -0.011395 0Rh 1dxz -0.003284 0.008772 0.000065 -0.009830 0.005426 0.003670 0Rh 1dyz 0.003928 -0.005863 0.001143 -0.005383 -0.002203 -0.003894 0Rh 1dx2y2 -0.005423 -0.005032 0.002670 0.015583 -0.000662 0.014823 0Rh 1dxy -0.008826 0.002044 -0.005158 0.010997 -0.006396 0.004967 0Rh 2dz2 -0.002081 -0.002121 0.001212 -0.000024 0.000779 0.001355 0Rh 2dxz -0.002635 -0.001709 0.001003 0.000076 -0.001579 0.001484 0Rh 2dyz -0.000969 -0.002280 -0.000261 -0.001241 -0.001770 0.001401 0Rh 2dx2y2 0.001949 0.000986 -0.001785 -0.001461 0.001461 -0.001851 0Rh 2dxy 0.001525 -0.000082 -0.000934 -0.001147 -0.000543 0.000008 0Rh 3dz2 -0.011828 -0.020033 0.005397 0.010149 0.018523 0.023640 0Rh 3dxz 0.020213 -0.015251 -0.004658 0.025458 -0.007307 -0.015968 0Rh 3dyz -0.005953 0.025468 -0.001794 0.019543 0.013767 0.004016 0Rh 3dx2y2 0.005096 0.008786 0.001024 -0.034406 -0.004603 -0.030441 0Rh 3dxy 0.016160 -0.005112 0.017645 -0.023541 0.019119 -0.013078 0Rh 4dz2 -0.035406 -0.035146 0.019480 0.000063 0.008590 0.027165 0Rh 4dxz -0.037349 -0.028579 0.016564 0.002543 -0.024211 0.014796 0Rh 4dyz -0.014162 -0.031929 -0.004827 -0.014597 -0.029884 0.019959 0Rh 4dx2y2 0.037685 0.014862 -0.029850 -0.022706 0.020814 -0.035134 0Rh 4dxy 0.028191 0.001754 -0.013185 -0.023055 -0.005262 -0.001527 0Rh 5dz2 0.180929 0.146961 -0.101781 -0.039861 0.005195 -0.189558 0Rh 5dxz 0.141095 0.141141 -0.092484 -0.045033 0.135246 0.017079 0Rh 5dyz 0.033668 0.065468 0.031288 -0.024912 0.186914 -0.052527 0Rh 5dx2y2 -0.239569 -0.063184 0.169796 0.129045 -0.101583 0.241655 0Rh 5dxy -0.183154 -0.052883 0.052011 0.158390 -0.005741 0.036895 0Rh 1f0 0.005734 0.206117 0.002133 -0.054862 -0.054929 0.174490 0Rh 1f+1 -0.106219 -0.083110 -0.061356 0.005765 -0.161841 0.068413 0Rh 1f-1 0.021880 -0.171126 0.042344 -0.167824 -0.096973 -0.096501 0Rh 1f+2 0.076490 0.005297 0.119986 -0.051639 0.056765 0.065946 0Rh 1f-2 -0.064316 0.132956 -0.022387 -0.029488 0.161118 -0.065625 0Rh 1f+3 -0.044118 0.287488 0.120903 0.004721 0.124573 -0.052437 0Rh 1f-3 -0.119826 -0.077082 -0.228240 0.012985 -0.094997 -0.044764 1Rh 1s 0.003120 0.000221 -0.001998 -0.003336 0.000776 -0.000972 1Rh 2s -0.014444 -0.001693 0.010616 0.016811 -0.003406 0.004651 1Rh 3s 0.009541 0.000269 -0.005274 -0.009377 0.002487 -0.002884 1Rh 4s 0.071806 0.008645 -0.052953 -0.084403 0.016772 -0.023309 1Rh 5s -0.088571 -0.017286 0.074447 0.122070 -0.017224 0.031621 1Rh 6s -0.116853 0.017699 0.047677 0.044941 -0.047023 0.023767 1Rh 7s 0.507445 -0.181884 -0.263208 -0.154688 0.132529 -0.044349 1Rh 8s -0.738508 0.290605 0.711564 -0.562906 -0.481434 -0.122482 1Rh 1pz -0.001463 0.004598 0.001192 0.004681 0.000059 0.006106 1Rh 1px 0.001243 0.001206 -0.001741 0.002086 0.006162 0.000999 1Rh 1py 0.005363 -0.006956 0.006598 0.010113 -0.000437 -0.004343 1Rh 2pz 0.005089 -0.015864 -0.004275 -0.016435 -0.000806 -0.021203 1Rh 2px -0.003533 -0.004712 0.005826 -0.006844 -0.021467 -0.002640 1Rh 2py -0.018683 0.023703 -0.023238 -0.035094 0.001688 0.015028 1Rh 3pz -0.001555 0.003842 0.004439 0.009963 0.013303 0.007402 1Rh 3px -0.015687 0.012933 0.002496 -0.005687 0.009383 -0.016572 1Rh 3py 0.008569 -0.000174 0.016134 0.012223 -0.004100 -0.004539 1Rh 4pz -0.031697 0.091158 0.011396 0.070067 -0.050977 0.115997 1Rh 4px 0.092049 -0.021443 -0.051252 0.068542 0.109214 0.085052 1Rh 4py 0.090324 -0.155058 0.088538 0.189743 0.004862 -0.082576 1Rh 5pz 0.074345 -0.165739 -0.031588 -0.121266 0.105637 -0.224121 1Rh 5px -0.216342 0.046414 0.121557 -0.129771 -0.229071 -0.153990 1Rh 5py -0.170812 0.274850 -0.157011 -0.354118 -0.015595 0.150022 1Rh 6pz 0.489688 0.063868 0.188021 -0.519442 -0.147051 1.019417 1Rh 6px 1.084873 -0.389427 -0.452302 0.603682 0.443087 0.691684 1Rh 6py 0.092539 -1.022892 0.375941 0.378109 0.621901 -0.037470 1Rh 1dz2 0.007091 -0.011980 -0.002305 0.004490 -0.008679 0.009843 1Rh 1dxz -0.003893 -0.008503 0.001549 0.009378 0.005689 -0.004247 1Rh 1dyz 0.004345 0.005764 0.000252 0.005508 -0.001731 0.001361 1Rh 1dx2y2 -0.005305 0.005926 0.001437 -0.015647 -0.000971 -0.012234 1Rh 1dxy -0.008878 -0.001718 -0.004812 -0.010523 -0.006899 -0.001984 1Rh 2dz2 -0.001969 0.002433 0.000812 -0.000033 0.000933 -0.000953 1Rh 2dxz -0.002518 0.002066 0.000651 0.000005 -0.001416 -0.001499 1Rh 2dyz -0.000813 0.002412 -0.000624 0.001421 -0.001510 -0.001424 1Rh 2dx2y2 0.001865 -0.001477 -0.001543 0.001412 0.001389 0.001844 1Rh 2dxy 0.001530 -0.000174 -0.000861 0.001288 -0.000420 -0.000801 1Rh 3dz2 -0.009650 0.020332 0.002454 -0.011681 0.018802 -0.021250 1Rh 3dxz 0.021274 0.012958 -0.006963 -0.024625 -0.008719 0.017586 1Rh 3dyz -0.007732 -0.025790 0.002156 -0.020699 0.011379 0.002784 1Rh 3dx2y2 0.005155 -0.008899 0.003162 0.034773 -0.003457 0.023648 1Rh 3dxy 0.016287 0.005404 0.016389 0.021682 0.019898 0.008673 1Rh 4dz2 -0.033151 0.040355 0.012991 -0.000668 0.011247 -0.022477 1Rh 4dxz -0.035383 0.034085 0.010815 -0.001292 -0.021980 -0.015477 1Rh 4dyz -0.012051 0.033749 -0.010009 0.017817 -0.026358 -0.020643 1Rh 4dx2y2 0.036552 -0.023383 -0.025933 0.022225 0.019487 0.034768 1Rh 4dxy 0.028005 -0.005978 -0.011445 0.024923 -0.003477 -0.009784 1Rh 5dz2 0.168355 -0.175109 -0.074749 0.039608 -0.005088 0.174134 1Rh 5dxz 0.131999 -0.168289 -0.064903 0.037977 0.130159 -0.018249 1Rh 5dyz 0.029257 -0.070437 0.043404 0.004022 0.183000 0.061366 1Rh 5dx2y2 -0.235942 0.113682 0.151217 -0.128673 -0.095166 -0.221770 1Rh 5dxy -0.179131 0.076708 0.035837 -0.164778 -0.011646 0.020131 1Rh 1f0 0.016083 0.208729 -0.034202 -0.050852 0.046483 0.155178 1Rh 1f+1 0.086294 -0.090329 0.067155 -0.000997 0.154766 0.074475 1Rh 1f-1 -0.042099 -0.179102 -0.020433 -0.176221 0.086791 -0.072767 1Rh 1f+2 -0.086733 -0.010235 -0.124924 -0.045621 -0.059928 0.077323 1Rh 1f-2 0.084366 0.138334 0.003207 -0.022489 -0.153023 -0.045550 1Rh 1f+3 0.072976 0.271658 -0.160743 0.020246 -0.113647 -0.029405 1Rh 1f-3 0.128276 -0.050226 0.241255 -0.006382 0.088115 0.039792 2C 1s 0.003245 0.003019 -0.001933 0.009262 0.002777 0.004240 2C 2s 0.011332 0.012552 -0.006679 0.035507 0.013363 0.015160 2C 3s -0.080027 -0.127169 0.071337 -0.292438 -0.127161 -0.145873 2C 4s 0.138342 0.176007 -0.230851 0.314535 0.244815 0.354314 2C 5s -1.290315 -1.682334 0.295961 -2.688360 1.129678 0.833619 2C 1pz 0.024300 0.014362 0.059436 -0.152742 -0.052842 -0.029830 2C 1px 0.005202 0.087930 0.052713 0.086088 -0.177610 0.025398 2C 1py -0.100639 -0.187173 -0.082155 -0.037243 0.064007 -0.061469 2C 2pz -0.046602 -0.108373 -0.231671 0.283168 0.265668 0.176372 2C 2px -0.156961 -0.282919 -0.132154 -0.394784 0.457997 -0.058816 2C 2py 0.261017 0.425273 0.124170 -0.043877 -0.108984 0.311768 2C 3pz -0.242091 -0.287317 0.122675 -0.673318 0.225267 0.163444 2C 3px -0.097039 -0.006553 0.058984 0.044813 0.075743 -0.040977 2C 3py -0.250313 -0.416344 -0.121826 -0.426657 0.216905 0.159855 2C 1dz2 0.020287 0.000340 0.018733 0.031614 0.006696 -0.015719 2C 1dxz 0.008184 0.034688 0.010071 0.065131 -0.012166 -0.020666 2C 1dyz 0.016527 0.016778 -0.013397 0.023336 -0.002308 0.024840 2C 1dx2y2 -0.008293 -0.035236 0.008953 -0.029140 0.016349 0.000358 2C 1dxy -0.006785 0.008269 -0.031574 0.039829 -0.006644 0.006726 2C 2dz2 -0.125604 -0.121061 -0.146011 0.046883 0.060626 0.029013 2C 2dxz -0.042559 -0.286274 -0.155381 -0.365135 0.308970 0.084998 2C 2dyz -0.029847 0.086733 0.034529 -0.050418 -0.117666 0.058598 2C 2dx2y2 -0.135856 -0.053545 -0.106264 0.099319 -0.016008 -0.039166 2C 2dxy 0.031854 -0.050611 0.109065 -0.232280 0.094788 -0.022637 2C 1f0 -0.016048 -0.031945 0.028186 -0.057932 0.006098 -0.006915 2C 1f+1 -0.020314 -0.002860 -0.015751 -0.000690 0.001505 0.003079 2C 1f-1 0.017606 0.013363 0.001942 0.015753 -0.007691 -0.013929 2C 1f+2 0.048907 0.050562 0.005616 0.096295 0.017739 0.012799 2C 1f-2 -0.027499 -0.014610 0.015734 -0.059585 -0.041420 -0.024630 2C 1f+3 0.038912 0.036931 -0.008068 0.090177 0.035844 0.025920 2C 1f-3 -0.016365 -0.017588 -0.010794 -0.017748 0.022619 0.013691 3C 1s 0.003415 0.001089 -0.002905 -0.005862 0.000026 0.004645 3C 2s 0.012867 0.002280 -0.009743 -0.021595 -0.002554 0.017332 3C 3s -0.062533 -0.001450 0.144250 0.201880 0.053652 -0.128938 3C 4s -0.005104 -0.014300 -0.540114 -0.362708 -0.194782 0.174238 3C 5s 0.132246 0.754186 -0.498787 0.475658 -0.864622 -0.623579 3C 1pz 0.045528 -0.003668 -0.100687 0.133223 -0.039337 -0.043248 3C 1px -0.156298 -0.127221 -0.044420 0.041013 -0.028508 0.007941 3C 1py -0.008376 -0.032218 -0.139834 -0.022812 -0.055707 0.021885 3C 2pz -0.079367 0.015467 0.104355 -0.411959 0.059329 0.133925 3C 2px 0.329557 0.363035 0.091307 -0.119155 0.071852 -0.098888 3C 2py 0.020116 0.097355 0.525912 0.039977 0.262006 -0.103513 3C 3pz 0.003112 0.094338 -0.256464 0.068341 -0.061622 -0.122402 3C 3px -0.105819 -0.140924 -0.132163 0.158425 -0.202345 -0.083262 3C 3py -0.025293 -0.178947 0.067797 -0.082866 0.185971 0.149713 3C 1dz2 -0.005041 0.001383 0.003436 -0.011437 0.007797 -0.027468 3C 1dxz -0.029983 -0.027785 -0.011294 -0.008292 -0.012456 -0.005008 3C 1dyz -0.012531 -0.010300 0.021536 0.031815 -0.018876 -0.001417 3C 1dx2y2 -0.016703 -0.002752 -0.015758 0.010524 0.013266 -0.020641 3C 1dxy -0.005110 -0.000948 -0.019760 0.001537 -0.000622 -0.016550 3C 2dz2 -0.047276 -0.038388 0.095282 -0.077762 0.037297 0.039599 3C 2dxz 0.224842 0.193813 0.083735 -0.084926 0.054892 0.007765 3C 2dyz 0.201623 0.082387 -0.095327 0.021227 0.035852 -0.038838 3C 2dx2y2 0.085655 0.088014 0.294483 -0.061017 0.051291 0.029585 3C 2dxy -0.094516 -0.133888 0.123877 0.035619 -0.028433 0.092626 3C 1f0 -0.033515 -0.002292 -0.009846 0.024489 0.017456 -0.033750 3C 1f+1 -0.004723 0.014337 0.000440 0.013203 0.022086 -0.024165 3C 1f-1 -0.011970 0.013445 0.026873 0.022648 0.003446 -0.021398 3C 1f+2 0.040383 0.005634 -0.003117 -0.046587 -0.000133 0.043995 3C 1f-2 0.034942 -0.007939 -0.004901 -0.036801 -0.024264 0.041715 3C 1f+3 -0.013686 -0.017494 -0.012257 -0.005794 -0.011380 0.003538 3C 1f-3 -0.024692 -0.018436 -0.004530 0.000843 -0.013504 -0.004927 4C 1s -0.003412 0.002902 0.008452 -0.000569 0.003217 -0.012279 4C 2s -0.011309 0.006029 0.026974 -0.005991 0.013714 -0.040515 4C 3s -0.250093 0.224939 0.096064 -0.009358 -0.293696 -0.014446 4C 4s 2.141682 -1.480572 -1.778739 0.428253 1.297794 1.820910 4C 5s 1.632026 0.252134 -1.070734 2.009024 0.562961 1.231540 4C 1pz 0.031274 -0.016087 0.001994 -0.032298 -0.022976 0.052289 4C 1px -0.169837 -0.121694 -0.076784 0.026853 -0.008883 0.034771 4C 1py -0.008456 0.048447 -0.018353 -0.008772 -0.082332 0.066752 4C 2pz 0.487970 -0.304451 -0.661072 0.380512 0.435795 0.510693 4C 2px 0.229364 0.420419 0.074957 -0.681528 -0.101886 0.298540 4C 2py 0.303159 -0.332615 -0.307018 -0.056680 0.390772 0.344720 4C 3pz -0.219237 -0.970743 -0.258452 -0.687765 1.763330 1.273454 4C 3px -0.281387 0.093083 -0.109258 -0.349109 0.085184 0.330155 4C 3py -0.181363 -0.481947 -0.025090 -0.384136 0.985276 0.706706 4C 1dz2 -0.009326 0.005735 -0.022508 0.015093 -0.030904 0.017012 4C 1dxz 0.049871 0.019069 0.011505 0.028096 -0.005048 -0.000910 4C 1dyz 0.003425 0.011942 0.006304 0.028839 0.004697 -0.005048 4C 1dx2y2 -0.010192 -0.012994 0.009133 -0.030621 0.028405 -0.022350 4C 1dxy 0.034856 0.017091 0.007696 0.013077 0.014831 -0.021010 4C 2dz2 -0.341522 -0.068822 -0.178948 0.513063 0.049345 -0.232606 4C 2dxz -0.123848 0.138026 0.239280 -0.549376 0.168718 -0.207262 4C 2dyz 0.181992 0.182167 0.153849 0.138501 -0.005044 0.001417 4C 2dx2y2 0.276507 -0.359629 -0.375135 -0.207042 0.299751 0.375274 4C 2dxy 0.074145 -0.363140 -0.226212 -0.368240 0.339366 0.182849 4C 1f0 -0.017833 -0.026955 0.027491 -0.010319 0.011699 -0.038661 4C 1f+1 -0.035146 -0.006296 0.014693 0.005942 0.020785 -0.055309 4C 1f-1 -0.018648 0.002091 0.019138 -0.013708 0.005811 -0.006876 4C 1f+2 0.043515 -0.025711 -0.001552 0.049294 0.025590 0.003068 4C 1f-2 -0.026121 0.003458 0.006285 -0.017523 -0.002044 0.004479 4C 1f+3 0.025249 0.014970 -0.003043 0.029552 -0.007546 -0.008039 4C 1f-3 0.001377 0.032314 0.035676 -0.009852 0.019353 -0.013850 5C 1s -0.003112 -0.001836 0.004721 0.007090 -0.009491 -0.006710 5C 2s -0.008047 -0.005269 0.014463 0.025072 -0.030524 -0.022963 5C 3s -0.451927 -0.258793 0.180622 -0.036636 -0.075831 -0.160766 5C 4s 3.156488 1.614777 -1.766039 -0.892471 1.829635 1.909463 5C 5s 1.633785 0.418775 -0.936237 -1.241083 0.745608 1.768622 5C 1pz -0.028842 0.002555 -0.003913 -0.086267 0.043420 -0.013594 5C 1px 0.010424 0.056608 0.097861 0.117371 0.135601 0.051856 5C 1py 0.009262 0.028104 0.034458 0.054855 -0.024664 0.001723 5C 2pz 0.598545 0.136416 -0.360792 0.134181 0.082654 0.441222 5C 2px -0.151698 0.251082 -0.556677 -0.949112 0.019530 -0.307627 5C 2py -0.720213 -0.405799 0.658966 0.200872 -0.394488 -0.567835 5C 3pz 0.663655 0.327857 -0.460338 -0.067246 -0.550042 0.355838 5C 3px -0.052109 0.327230 -0.403175 -0.588982 -0.068944 -0.001368 5C 3py -0.980770 -0.577263 1.104363 0.375054 0.848715 -0.222459 5C 1dz2 0.007238 0.015641 0.015789 -0.001453 0.014119 0.017738 5C 1dxz -0.001977 -0.004617 -0.015312 -0.019980 -0.012968 0.019595 5C 1dyz 0.001062 -0.008462 -0.006925 0.000685 0.005142 -0.000605 5C 1dx2y2 0.011285 -0.016084 -0.007914 0.018688 -0.035606 -0.013137 5C 1dxy -0.019459 0.003745 0.016136 0.016238 0.019017 -0.013919 5C 2dz2 -0.263540 -0.163485 0.574257 0.003481 -0.061463 -0.043313 5C 2dxz -0.306986 -0.147337 0.189849 -0.020811 -0.159617 -0.273172 5C 2dyz -0.185926 -0.025927 -0.080155 0.023258 -0.135171 -0.259490 5C 2dx2y2 0.454047 0.420799 -0.209667 -0.365180 0.211174 0.168435 5C 2dxy -0.187077 -0.280290 -0.167640 0.314763 -0.008738 0.289821 5C 1f0 -0.000846 -0.003280 0.007586 0.007407 -0.011873 -0.013170 5C 1f+1 -0.010439 -0.017236 0.010311 -0.004242 -0.035786 -0.031982 5C 1f-1 0.017682 0.010155 0.012407 0.023122 -0.022658 0.017137 5C 1f+2 0.018380 0.007020 -0.009155 0.006819 0.012736 0.031814 5C 1f-2 0.044999 0.004222 -0.024062 -0.003835 0.001212 0.043294 5C 1f+3 -0.024829 -0.043024 0.004858 0.037254 -0.041809 -0.022977 5C 1f-3 0.023782 0.023266 -0.008248 -0.032948 0.032183 0.017038 6C 1s -0.003163 0.003371 0.004244 -0.006323 -0.009782 0.002392 6C 2s -0.008187 0.009918 0.012967 -0.022522 -0.031678 0.008296 6C 3s -0.433405 0.326411 0.124132 0.031378 -0.070602 0.218570 6C 4s 3.054369 -2.240810 -1.388288 0.817558 1.856188 -1.678972 6C 5s 1.566416 -0.734004 -0.773778 1.214917 0.858898 -1.704886 6C 1pz 0.026713 0.003669 0.001872 -0.084264 -0.046950 -0.023836 6C 1px -0.006854 0.049764 -0.103934 0.130875 -0.122807 0.033840 6C 1py -0.005866 0.021955 -0.039325 0.053411 0.029609 0.018767 6C 2pz -0.582521 0.244331 0.326243 0.132252 -0.075655 0.386347 6C 2px 0.165819 0.318718 0.491491 -0.958633 -0.070979 -0.348651 6C 2py 0.690341 -0.588844 -0.560377 0.192935 0.391844 -0.482274 6C 3pz -0.651995 0.436235 0.393881 -0.137642 0.559543 0.447660 6C 3px 0.071609 0.382955 0.330694 -0.614216 0.048437 0.018089 6C 3py 0.946864 -0.798261 -0.981062 0.490897 -0.866620 -0.344153 6C 1dz2 0.006785 -0.014334 0.018422 -0.000560 0.014337 -0.011489 6C 1dxz -0.001743 0.002836 -0.015150 0.021155 -0.010517 -0.014655 6C 1dyz 0.002379 0.006596 -0.008732 -0.000617 0.004985 0.003807 6C 1dx2y2 0.012331 0.015265 -0.011347 -0.015006 -0.035871 0.000747 6C 1dxy -0.019649 -0.000946 0.015495 -0.018439 0.017138 0.013932 6C 2dz2 -0.252884 0.279483 0.543818 -0.011190 -0.053218 0.034228 6C 2dxz -0.299406 0.209184 0.153582 0.026277 -0.151621 0.211539 6C 2dyz -0.181131 0.037886 -0.097603 -0.014243 -0.147003 0.266576 6C 2dx2y2 0.436155 -0.496167 -0.127096 0.354269 0.210371 -0.056491 6C 2dxy -0.169591 0.264749 -0.215760 -0.317903 -0.008866 -0.194624 6C 1f0 0.000818 -0.005300 -0.006503 0.007431 0.012725 -0.013674 6C 1f+1 0.009623 -0.021654 -0.007178 -0.007227 0.035950 -0.024714 6C 1f-1 -0.016530 0.007849 -0.013495 0.022339 0.022828 0.017067 6C 1f+2 -0.017417 0.010682 0.006820 0.007343 -0.013257 0.032496 6C 1f-2 -0.044819 0.011488 0.022031 -0.004497 -0.003256 0.039471 6C 1f+3 0.022357 -0.047630 0.003965 0.033996 0.042598 -0.012593 6C 1f-3 -0.023108 0.028077 0.002620 -0.030382 -0.032626 0.005961 7C 1s -0.003724 -0.001506 0.008830 0.000057 0.002195 0.010899 7C 2s -0.012147 -0.001721 0.027760 0.004154 0.010801 0.035940 7C 3s -0.265094 -0.174712 0.132670 0.022907 -0.299215 0.060395 7C 4s 2.260305 0.969022 -2.010954 -0.436960 1.440790 -1.950292 7C 5s 1.630375 -0.582920 -1.066683 -2.013759 0.457876 -1.244646 7C 1pz -0.031462 -0.017396 0.001042 -0.032677 0.014167 0.057407 7C 1px 0.162161 -0.119483 0.096226 0.019485 -0.000439 0.076242 7C 1py 0.007411 0.045047 0.008028 -0.016473 0.075740 0.090725 7C 2pz -0.525328 -0.132660 0.697154 0.384661 -0.442913 0.407558 7C 2px -0.206757 0.419400 -0.150418 -0.672659 0.076623 0.171226 7C 2py -0.323450 -0.233456 0.361155 -0.035607 -0.414582 0.224069 7C 3pz 0.130113 -0.875256 0.392022 -0.542358 -1.928313 0.938038 7C 3px 0.280358 0.104844 0.086759 -0.342102 -0.113759 0.307410 7C 3py 0.122616 -0.453480 0.093178 -0.301025 -1.085793 0.511006 7C 1dz2 -0.009131 -0.007659 -0.022139 -0.012171 -0.030985 -0.022270 7C 1dxz 0.048596 -0.019782 0.013885 -0.028829 -0.007718 0.004913 7C 1dyz 0.002753 -0.011693 0.007283 -0.029804 0.001665 0.005741 7C 1dx2y2 -0.009494 0.013635 0.007616 0.028396 0.029434 0.022526 7C 1dxy 0.033820 -0.018386 0.010373 -0.014496 0.011697 0.025243 7C 2dz2 -0.345316 0.055617 -0.205336 -0.503916 0.003803 0.121563 7C 2dxz -0.136759 -0.084030 0.261672 0.519121 0.187381 0.234005 7C 2dyz 0.174834 -0.161864 0.180066 -0.143759 -0.016808 -0.080791 7C 2dx2y2 0.304565 0.259161 -0.422812 0.192657 0.342416 -0.282262 7C 2dxy 0.093518 0.312212 -0.288849 0.355766 0.397730 -0.123101 7C 1f0 0.017099 -0.031721 -0.022149 -0.008622 -0.010980 -0.041175 7C 1f+1 0.036272 -0.009994 -0.012723 0.007710 -0.017138 -0.059364 7C 1f-1 0.018881 -0.003104 -0.019602 -0.012433 -0.007315 -0.005039 7C 1f+2 -0.043930 -0.021076 0.007576 0.050876 -0.023518 -0.001394 7C 1f-2 0.026129 0.000518 -0.007783 -0.017322 0.000524 0.007184 7C 1f+3 -0.025031 0.016076 0.000465 0.029084 0.010793 -0.010938 7C 1f-3 0.000229 0.027495 -0.041782 -0.006562 -0.016720 -0.020200 8C 1s 0.003169 -0.001799 -0.002370 0.005999 0.000561 -0.005279 8C 2s 0.011921 -0.004658 -0.008074 0.022281 -0.000493 -0.020336 8C 3s -0.055467 0.025421 0.133170 -0.211773 0.036142 0.149765 8C 4s -0.011968 -0.055975 -0.526318 0.392524 -0.173236 -0.140604 8C 5s 0.137571 -0.814483 -0.407832 -0.383446 -0.981530 0.637614 8C 1pz -0.045576 0.013288 0.107316 0.129589 0.049134 -0.036685 8C 1px 0.147586 -0.132303 0.066628 0.040664 0.021667 -0.014173 8C 1py 0.010631 -0.014284 0.142562 -0.030543 0.050001 0.034694 8C 2pz 0.081816 -0.004355 -0.125486 -0.408016 -0.083518 0.077533 8C 2px -0.304332 0.371899 -0.151464 -0.115613 -0.048588 -0.064054 8C 2py -0.022780 0.030942 -0.537904 0.071153 -0.252840 -0.093301 8C 3pz -0.003434 0.129886 0.248363 0.059165 0.082822 -0.168249 8C 3px 0.093738 -0.134104 0.161432 0.141049 0.209326 -0.076297 8C 3py 0.028904 -0.186363 -0.045523 -0.060766 -0.210637 0.140555 8C 1dz2 -0.005160 -0.000595 0.003345 0.011168 0.006683 0.027328 8C 1dxz -0.028765 0.028817 -0.015188 0.008958 -0.010725 0.005156 8C 1dyz -0.011494 0.015628 0.018693 -0.031219 -0.019988 -0.000752 8C 1dx2y2 -0.015461 0.000406 -0.016678 -0.011402 0.010944 0.023469 8C 1dxy -0.004156 -0.002217 -0.021164 -0.000715 -0.001336 0.017499 8C 2dz2 -0.043389 0.053152 0.094105 0.073150 0.046799 -0.030276 8C 2dxz 0.215094 -0.199766 0.118160 0.083638 0.047040 -0.018478 8C 2dyz 0.195389 -0.115626 -0.081847 -0.020177 0.028194 0.005970 8C 2dx2y2 0.079993 -0.049835 0.308585 0.051809 0.054747 -0.046619 8C 2dxy -0.088966 0.162055 0.105845 -0.037807 -0.016370 -0.093377 8C 1f0 0.031146 -0.001716 0.011975 0.025746 -0.014755 -0.036994 8C 1f+1 0.003800 0.015020 -0.001455 0.013587 -0.019066 -0.023888 8C 1f-1 0.011654 0.008125 -0.027811 0.023546 -0.000944 -0.023940 8C 1f+2 -0.037086 0.009307 -0.000881 -0.046822 -0.004699 0.051848 8C 1f-2 -0.034172 -0.005568 0.003818 -0.039801 0.019509 0.049240 8C 1f+3 0.012072 -0.016635 0.014530 -0.006723 0.009771 0.002675 8C 1f-3 0.022749 -0.020520 0.007506 -0.000284 0.013065 -0.006874 9C 1s 0.003159 -0.003674 -0.001656 -0.009490 0.002235 -0.004761 9C 2s 0.010900 -0.014992 -0.005505 -0.036594 0.011073 -0.015522 9C 3s -0.076887 0.151069 0.055294 0.303632 -0.105943 0.120228 9C 4s 0.140861 -0.244313 -0.194587 -0.338306 0.217215 -0.158228 9C 5s -1.158338 1.789107 0.085074 2.584059 1.471138 -0.504193 9C 1pz -0.024422 0.001873 -0.067306 -0.155095 0.042703 -0.037616 9C 1px -0.001320 0.076271 -0.067382 0.072251 0.187385 0.057692 9C 1py 0.095754 -0.174204 0.115449 -0.037233 -0.068538 -0.063118 9C 2pz 0.037696 -0.049345 0.255460 0.300870 -0.246845 0.052827 9C 2px 0.144099 -0.261869 0.175908 -0.359507 -0.496782 -0.167934 9C 2py -0.251084 0.411118 -0.207861 -0.042611 0.106390 0.221512 9C 3pz 0.212192 -0.318332 -0.095833 -0.648062 -0.297127 0.074872 9C 3px 0.092809 -0.018354 -0.061404 0.051863 -0.073153 -0.040946 9C 3py 0.230130 -0.401210 0.179016 -0.413205 -0.279298 0.098210 9C 1dz2 0.019498 0.001517 0.016695 -0.032073 0.004137 0.014867 9C 1dxz 0.005638 -0.033491 0.015042 -0.065245 -0.020320 0.024402 9C 1dyz 0.016526 -0.020070 -0.010922 -0.023623 -0.003166 -0.028900 9C 1dx2y2 -0.006020 0.036523 0.004242 0.028463 0.020238 0.000579 9C 1dxy -0.007418 -0.012443 -0.030777 -0.037937 -0.009091 -0.006222 9C 2dz2 -0.119644 0.094459 -0.163796 -0.049289 0.056903 -0.005391 9C 2dxz -0.024332 0.255834 -0.198155 0.346639 0.355493 -0.031122 9C 2dyz -0.032681 -0.074145 0.052681 0.059350 -0.115291 -0.023242 9C 2dx2y2 -0.138199 0.043007 -0.123318 -0.093979 -0.023946 0.014178 9C 2dxy 0.034156 0.065993 0.102514 0.218303 0.112364 0.056635 9C 1f0 0.014534 -0.038019 -0.024297 -0.057466 -0.011686 -0.005316 9C 1f+1 0.020683 -0.002589 0.016161 -0.003142 -0.002357 0.003658 9C 1f-1 -0.016560 0.014351 -0.003770 0.016235 0.010540 -0.021446 9C 1f+2 -0.046010 0.054432 -0.010724 0.100609 -0.009499 0.006506 9C 1f-2 0.026197 -0.019528 -0.015669 -0.060137 0.037841 -0.020622 9C 1f+3 -0.036614 0.042686 0.004340 0.092622 -0.027028 0.014629 9C 1f-3 0.013486 -0.014600 0.014118 -0.013088 -0.027443 0.015099 10H 1s -0.141675 -0.166142 0.012621 -0.309608 -0.038367 0.005630 10H 2s 0.374843 0.254081 -0.023241 0.531711 0.161776 0.128748 10H 3s 0.059965 -0.067513 -0.063732 -0.141458 -0.034874 0.013835 10H 1pz 0.035262 0.063085 0.060551 0.027198 -0.107308 0.051099 10H 1px -0.061284 0.050746 0.030716 0.045573 -0.156194 0.012261 10H 1py -0.070232 -0.072081 -0.064370 0.054728 -0.010611 0.015607 11H 1s -0.005200 -0.020854 0.083677 -0.095957 -0.055948 -0.091585 11H 2s -0.050594 0.037133 -0.085148 0.298117 0.209048 0.019281 11H 3s 0.154471 0.311995 0.147116 0.221136 -0.080012 -0.128549 11H 1pz -0.057045 -0.132399 -0.019339 -0.111519 0.151752 -0.035112 11H 1px -0.049587 0.016057 0.003900 0.081268 -0.091026 0.003873 11H 1py -0.106681 -0.175693 -0.111563 -0.068400 0.089379 0.007433 12H 1s -0.039951 -0.009771 -0.031618 -0.077832 -0.083575 -0.056961 12H 2s 0.059483 0.162329 -0.024174 0.209904 0.140560 0.183481 12H 3s 0.003759 0.029823 -0.191424 0.286178 -0.037898 -0.090835 12H 1pz 0.065474 0.069906 0.078630 -0.147902 -0.028841 0.024625 12H 1px -0.000172 0.096339 0.050870 0.054262 -0.167422 0.046110 12H 1py -0.034924 -0.040127 -0.054587 -0.056487 0.072909 0.027234 13H 1s -0.053353 0.065240 0.017295 0.081442 0.105724 -0.109332 13H 2s 0.209256 -0.076881 -0.131167 -0.278946 -0.157857 0.259828 13H 3s 0.101812 0.107255 -0.019653 -0.021368 0.185136 -0.001017 13H 1pz -0.013541 -0.045525 -0.116540 0.014102 -0.037017 0.000797 13H 1px -0.169018 -0.084062 -0.025236 0.035144 0.001773 -0.002682 13H 1py 0.068817 0.022867 -0.074733 0.036276 -0.026076 -0.050044 14H 1s -0.115530 -0.063453 -0.043208 0.070931 -0.016580 -0.078632 14H 2s 0.181666 0.108085 0.066472 -0.214625 0.043918 0.104364 14H 3s -0.198104 -0.273277 -0.217902 0.058383 -0.049176 -0.013861 14H 1pz 0.099528 0.063489 -0.053486 0.020472 -0.002817 -0.041945 14H 1px -0.092069 -0.035139 0.029823 -0.029474 0.016963 0.001770 14H 1py -0.030787 -0.098360 -0.117856 0.078132 -0.059224 0.004431 15H 1s -0.029368 0.005522 0.062686 0.084969 -0.019682 -0.050079 15H 2s 0.070165 -0.049628 -0.053445 -0.053306 -0.095913 0.130754 15H 3s 0.005351 -0.068445 0.151869 -0.061889 -0.017790 0.011247 15H 1pz 0.032756 0.021306 -0.155103 0.066299 -0.027844 -0.060265 15H 1px -0.124165 -0.078807 -0.078021 0.047028 -0.024437 0.000106 15H 1py -0.061152 -0.035600 0.029313 -0.073699 0.039057 0.005956 16H 1s 0.075558 0.003498 -0.097519 -0.081029 0.021651 -0.081224 16H 2s -0.198528 -0.018590 0.305574 0.258941 -0.062913 0.303012 16H 3s 0.209030 0.053777 -0.186297 -0.195437 0.034766 -0.243082 16H 1pz -0.016415 -0.010927 0.081863 0.034573 -0.040211 0.056424 16H 1px -0.255668 -0.097389 0.057876 0.037527 0.096589 0.322094 16H 1py -0.288794 -0.108611 0.135822 0.108251 0.044970 0.369461 17H 1s 0.053366 -0.002296 -0.105268 -0.092155 -0.050048 -0.018212 17H 2s -0.148027 -0.000709 0.305966 0.305945 0.152679 0.047034 17H 3s 0.117336 0.041213 -0.170396 -0.227251 0.040953 0.046908 17H 1pz -0.021103 0.004049 -0.032765 -0.112409 0.088417 0.067498 17H 1px 0.045870 -0.094534 -0.104939 0.095564 -0.298994 -0.134503 17H 1py 0.001566 -0.097339 0.054096 0.258948 -0.174358 -0.108309 18H 1s 0.054176 -0.016087 -0.103365 0.096798 -0.044275 0.054848 18H 2s -0.147370 0.052734 0.296563 -0.318866 0.134725 -0.150094 18H 3s 0.114232 -0.075682 -0.156794 0.225803 0.054076 -0.018329 18H 1pz 0.019222 0.011345 0.032061 -0.115596 -0.101188 0.089169 18H 1px -0.050496 -0.086790 0.122312 0.076366 0.306946 -0.211636 18H 1py -0.005547 -0.111557 -0.028786 0.250082 0.189681 -0.147096 19H 1s 0.075541 -0.028836 -0.095158 0.079747 0.023997 0.140812 19H 2s -0.198005 0.094638 0.297286 -0.257853 -0.069636 -0.470790 19H 3s 0.203844 -0.107173 -0.170239 0.197923 0.036201 0.295240 19H 1pz 0.011211 -0.028793 -0.076949 0.027159 0.040974 0.127241 19H 1px 0.243549 -0.121064 -0.040854 0.046398 -0.109364 0.247121 19H 1py 0.281630 -0.150748 -0.118373 0.114388 -0.057569 0.356453 20H 1s -0.026928 0.008309 0.060032 -0.085677 -0.026230 0.055037 20H 2s 0.064806 0.039189 -0.057718 0.063320 -0.081165 -0.178872 20H 3s 0.005395 0.092955 0.145984 0.062819 -0.005167 -0.052596 20H 1pz -0.031218 0.046410 0.154703 0.060815 0.036458 -0.055889 20H 1px 0.119087 -0.076635 0.092330 0.046195 0.021382 -0.015496 20H 1py 0.060251 -0.043579 -0.026291 -0.069785 -0.045704 -0.005406 21H 1s -0.106028 0.065143 -0.057479 -0.069812 -0.022093 0.091135 21H 2s 0.160097 -0.110443 0.096318 0.212015 0.055780 -0.135610 21H 3s -0.182496 0.255192 -0.265140 -0.053842 -0.038297 0.026526 21H 1pz -0.094332 0.079158 0.043611 0.017340 0.010542 -0.022017 21H 1px 0.090847 -0.046443 -0.025482 -0.025856 -0.021343 -0.014289 21H 1py 0.028825 -0.084910 0.135386 0.073052 0.056947 0.010353 22H 1s -0.051803 -0.063622 0.020334 -0.089576 0.091999 0.125737 22H 2s 0.202522 0.046210 -0.125120 0.296646 -0.126570 -0.289851 22H 3s 0.096085 -0.123634 -0.003695 0.008545 0.178755 0.023456 22H 1pz 0.011752 -0.029255 0.124372 0.009621 0.035142 0.001633 22H 1px 0.162767 -0.092425 0.039776 0.037159 -0.005759 -0.021461 22H 1py -0.064868 0.037849 0.071250 0.032334 0.030566 -0.027733 23H 1s -0.039457 0.010709 -0.028773 0.084989 -0.080180 0.049585 23H 2s 0.052004 -0.175461 -0.001720 -0.219925 0.124826 -0.159904 23H 3s -0.005440 -0.066746 -0.192712 -0.276457 -0.064831 0.070747 23H 1pz -0.066129 0.055541 -0.097060 -0.145893 0.017233 0.005383 23H 1px 0.004593 0.083250 -0.068010 0.041842 0.174452 0.066109 23H 1py 0.032704 -0.030826 0.058812 -0.052711 -0.077886 0.012854 24H 1s -0.006193 0.037814 0.084242 0.097510 -0.054262 0.091265 24H 2s -0.052579 -0.059849 -0.092968 -0.311878 0.186309 0.001680 24H 3s 0.138338 -0.293719 0.198950 -0.221387 -0.122857 0.108525 24H 1pz 0.050189 -0.126748 0.039759 -0.100854 -0.164314 -0.064575 24H 1px 0.050936 0.012637 -0.004841 0.072990 0.098676 0.021209 24H 1py 0.100241 -0.158509 0.140889 -0.066338 -0.100098 -0.000595 25H 1s -0.130684 0.179572 -0.007898 0.314979 -0.005592 -0.035788 25H 2s 0.361342 -0.289432 0.004169 -0.548285 0.115252 -0.075077 25H 3s 0.063203 0.052645 -0.070780 0.145761 -0.024100 -0.024811 25H 1pz -0.033866 0.051618 -0.071994 0.021433 0.107753 0.061515 25H 1px 0.063179 0.038244 -0.040800 0.033204 0.161691 0.037117 25H 1py 0.068784 -0.063971 0.078639 0.050373 0.013414 0.027898 26O 1s 0.002349 -0.003108 0.000858 -0.007958 0.000149 -0.001381 26O 2s 0.005368 -0.008831 0.001687 -0.019733 0.000491 -0.003382 26O 3s 0.013583 0.020555 -0.001175 0.009050 -0.005713 0.022315 26O 4s -0.144419 0.145411 -0.129846 0.565768 0.077553 0.003309 26O 5s -1.330727 0.321821 1.318684 0.016965 -1.638411 -1.754976 26O 1pz -0.054641 -0.062194 -0.022128 -0.033314 -0.034587 0.002947 26O 1px -0.005638 -0.040513 -0.073458 0.014408 0.048018 0.082075 26O 1py -0.000138 -0.045944 0.019028 -0.068246 -0.004268 0.019789 26O 2pz 0.102757 0.021420 -0.034645 0.071312 0.067205 0.082733 26O 2px 0.243106 -0.059334 -0.015716 -0.238733 0.117883 0.104699 26O 2py 0.132446 -0.017824 -0.065640 0.010942 0.083477 0.079236 26O 3pz -0.233135 -0.171915 0.067751 -0.091464 -0.688289 0.040951 26O 3px 0.439297 -0.439740 -0.765976 -0.244227 0.501345 0.995263 26O 3py 0.006639 -0.039070 -0.286859 -0.342632 -0.112564 0.588294 26O 1dz2 -0.004830 -0.001708 -0.000542 0.001510 -0.007015 -0.003034 26O 1dxz -0.001255 -0.005458 -0.003376 -0.003687 -0.001011 -0.000066 26O 1dyz -0.004212 -0.001363 0.000177 -0.008715 -0.003240 -0.001211 26O 1dx2y2 0.005891 0.001691 0.000495 0.002680 0.002436 -0.005253 26O 1dxy 0.002755 -0.000064 0.003194 -0.005651 0.003306 -0.002463 26O 2dz2 0.065159 0.000624 -0.018741 -0.075252 -0.144093 0.171304 26O 2dxz -0.010223 0.036979 0.007222 -0.012440 0.152663 -0.052203 26O 2dyz -0.126697 -0.054323 0.031798 -0.145389 0.013099 -0.033107 26O 2dx2y2 0.052426 0.203240 0.178040 0.005174 -0.115646 -0.249361 26O 2dxy -0.039409 0.085133 0.258850 0.022023 -0.010744 -0.265051 26O 1f0 -0.003932 -0.000870 0.002065 -0.003604 -0.000262 0.003694 26O 1f+1 0.000199 0.007619 0.004660 0.001448 -0.003255 0.001243 26O 1f-1 0.000648 0.002258 0.002617 0.006542 -0.001484 0.005710 26O 1f+2 0.001150 0.001712 0.002556 -0.002660 -0.003058 -0.001415 26O 1f-2 0.006543 -0.000695 -0.000465 0.005292 0.003855 -0.001433 26O 1f+3 -0.000152 0.001762 0.000816 0.005389 -0.002269 -0.001330 26O 1f-3 -0.013571 -0.005596 -0.005726 0.005547 -0.001132 -0.003348 27O 1s -0.000917 0.002447 -0.002668 -0.002456 0.001378 -0.000557 27O 2s -0.002287 0.006697 -0.006513 -0.005625 0.004435 -0.000558 27O 3s 0.015538 0.001919 -0.001748 -0.019336 -0.012597 -0.006794 27O 4s 0.059331 -0.205531 0.078068 0.217658 0.020994 0.107700 27O 5s -2.211189 -1.035739 1.892466 1.490927 -0.750876 -0.770937 27O 1pz 0.001775 0.011464 0.049715 0.045352 0.007738 -0.013773 27O 1px 0.069392 0.040279 -0.049391 -0.021403 0.059798 0.037802 27O 1py 0.053320 0.045338 0.037558 -0.078601 0.006727 0.012832 27O 2pz 0.024757 -0.030758 -0.042222 -0.005957 -0.014764 0.046713 27O 2px 0.203629 0.189829 -0.220197 -0.245768 0.000732 0.013171 27O 2py -0.150037 -0.093494 0.061582 0.119775 -0.020939 -0.061441 27O 3pz -0.336075 0.097424 0.164184 -0.022061 0.138712 -0.095206 27O 3px 0.888442 0.849300 -0.774214 -0.937167 0.948444 0.538835 27O 3py 0.506436 -0.029358 -0.104918 0.123084 -0.322678 -0.250458 27O 1dz2 0.000643 0.004185 0.001025 -0.001317 0.003482 0.000017 27O 1dxz 0.000932 -0.000344 0.002201 0.000624 0.001719 -0.002402 27O 1dyz 0.004892 0.002306 -0.000607 0.000055 0.001698 0.004554 27O 1dx2y2 0.006455 0.002229 -0.002280 -0.003660 -0.004185 -0.002610 27O 1dxy 0.000969 -0.000001 0.002492 -0.001314 -0.002102 0.002198 27O 2dz2 0.147090 0.164343 -0.228183 -0.047555 0.175081 0.091382 27O 2dxz 0.047016 -0.000052 0.013429 -0.019860 0.003033 0.015851 27O 2dyz 0.172927 0.057487 0.013761 -0.014486 0.079768 0.064014 27O 2dx2y2 -0.139921 -0.197904 0.082457 0.209757 -0.312659 -0.158147 27O 2dxy -0.024134 0.000945 -0.026719 -0.036631 0.069793 0.114857 27O 1f0 0.001681 0.001027 0.000128 0.001358 0.001794 -0.003845 27O 1f+1 -0.005050 -0.004539 0.000233 0.011495 0.001584 0.000512 27O 1f-1 0.002618 0.002517 -0.000322 -0.002548 -0.001350 -0.001932 27O 1f+2 -0.001057 -0.002208 0.002143 0.001641 -0.002817 -0.003038 27O 1f-2 -0.001040 0.000585 0.005014 0.002719 0.002593 -0.002639 27O 1f+3 0.000044 0.000677 0.008078 0.000014 0.002137 0.001941 27O 1f-3 0.001502 -0.001666 -0.010851 -0.001926 -0.003462 0.001132 28O 1s -0.003172 -0.005891 -0.002640 -0.001659 -0.000415 0.002777 28O 2s -0.008038 -0.014915 -0.006694 -0.004832 -0.001335 0.008086 28O 3s 0.025325 0.021049 0.001124 0.047201 0.000407 -0.022923 28O 4s 0.175639 0.168585 0.086581 -0.209009 0.198120 -0.000629 28O 5s -1.578320 1.057241 1.443551 -1.063016 -1.714945 -1.336342 28O 1pz 0.034889 -0.036423 -0.007834 -0.124170 0.054307 0.004667 28O 1px -0.029571 0.009772 0.058485 -0.076806 -0.022146 -0.055918 28O 1py -0.026334 -0.059658 -0.035214 -0.072107 0.030167 -0.034613 28O 2pz 0.037630 -0.083029 -0.164583 0.232340 0.032053 0.111610 28O 2px 0.012249 0.139383 0.110529 -0.158544 -0.007914 -0.039193 28O 2py 0.042336 0.000057 -0.001911 0.058788 0.019679 0.044783 28O 3pz 0.766425 -0.484917 -0.172377 0.218425 0.132661 0.485862 28O 3px -0.937609 0.480750 0.739720 -0.674333 -0.757688 -0.732755 28O 3py -0.061838 -0.197425 -0.244093 -0.074292 -0.086822 0.190831 28O 1dz2 0.002243 -0.007255 0.001529 -0.005057 0.005188 -0.004837 28O 1dxz 0.002671 -0.000002 0.004641 -0.002157 -0.001094 -0.001147 28O 1dyz -0.001398 -0.003370 0.000344 -0.010289 0.005112 0.001523 28O 1dx2y2 -0.004255 -0.002135 0.002574 0.002800 -0.003734 -0.001962 28O 1dxy -0.005320 -0.001713 -0.001609 0.000079 0.000402 -0.000329 28O 2dz2 -0.133975 -0.035176 -0.047048 0.143420 0.020855 -0.089828 28O 2dxz 0.293928 -0.093690 -0.082623 0.071484 0.010188 0.200051 28O 2dyz -0.111677 0.144965 0.127111 -0.018088 -0.080461 -0.045343 28O 2dx2y2 -0.136342 0.035378 0.237221 -0.192410 -0.154990 -0.136395 28O 2dxy -0.167495 -0.185933 -0.199294 -0.035347 0.043786 0.025282 28O 1f0 -0.002417 0.004599 -0.000353 0.000062 -0.003078 0.003621 28O 1f+1 0.004189 0.007110 0.006503 -0.000932 -0.001634 -0.000488 28O 1f-1 -0.004709 -0.001126 -0.004026 0.005584 -0.002774 0.003235 28O 1f+2 -0.001010 -0.007078 -0.005006 0.001536 0.007330 0.000096 28O 1f-2 0.004013 0.003174 0.000080 0.000418 -0.001088 -0.001246 28O 1f+3 0.000784 -0.001650 -0.002533 0.003792 -0.000797 0.002156 28O 1f-3 0.000731 -0.000570 -0.001831 0.002911 -0.001784 -0.000856 29O 1s -0.000424 0.001073 -0.001706 -0.004197 -0.001170 -0.003790 29O 2s -0.000323 0.002960 -0.008206 -0.014319 -0.004323 -0.012559 29O 3s -0.028250 -0.014101 0.112963 0.120069 0.036325 0.095528 29O 4s 0.067829 -0.037323 -0.310704 -0.194788 -0.127849 -0.130284 29O 5s 0.412586 0.213040 -0.247921 -0.447235 0.276658 -0.304869 29O 1pz 0.001638 -0.003765 -0.007913 -0.007774 0.038800 -0.011218 29O 1px -0.026796 0.010025 0.039993 -0.007607 0.011771 -0.006278 29O 1py 0.043591 0.030313 -0.034136 -0.077876 -0.018382 -0.042072 29O 2pz -0.106143 -0.047982 0.060079 0.015767 -0.080841 0.204252 29O 2px 0.058783 0.032052 -0.111185 -0.140369 -0.017564 -0.046026 29O 2py -0.100734 -0.035439 0.151997 0.181005 0.032078 0.093563 29O 3pz 0.197706 0.082514 -0.065712 -0.059788 -0.021911 -0.226668 29O 3px -0.125556 -0.125227 0.125908 0.270534 -0.103799 0.131145 29O 3py 0.112805 0.126081 -0.014372 -0.115007 0.107949 -0.032562 29O 1dz2 -0.001718 -0.002539 0.000613 0.001085 0.000022 0.005940 29O 1dxz 0.003605 -0.001078 0.000006 0.004038 0.000778 -0.001527 29O 1dyz 0.000410 -0.001428 0.000031 -0.000509 -0.000158 0.001062 29O 1dx2y2 -0.001886 0.000748 0.001096 -0.000852 -0.001571 -0.004637 29O 1dxy -0.000696 0.001801 0.000051 -0.002019 0.000268 -0.001188 29O 2dz2 0.133116 0.007496 -0.064662 0.009931 -0.135279 -0.183725 29O 2dxz -0.270001 -0.079425 0.085213 0.017892 0.151026 0.378322 29O 2dyz -0.176087 -0.008384 0.077900 -0.049010 0.205845 0.257866 29O 2dx2y2 0.122956 0.198376 -0.029819 -0.295730 0.249848 -0.080052 29O 2dxy -0.076549 -0.024831 -0.011901 0.005653 -0.004024 0.054137 29O 1f0 -0.006833 0.000534 0.012477 0.008439 0.001443 0.006741 29O 1f+1 -0.001294 -0.002282 -0.004485 -0.004134 -0.000655 0.003653 29O 1f-1 -0.014545 -0.004472 0.016283 0.014293 -0.003348 0.016998 29O 1f+2 0.004087 -0.000619 -0.005010 0.000099 -0.002279 -0.006374 29O 1f-2 -0.001673 0.000110 0.010439 0.012262 0.005333 -0.001216 29O 1f+3 0.000703 0.000008 -0.003158 -0.004054 -0.000353 0.002806 29O 1f-3 0.001856 -0.000707 -0.004495 -0.006183 -0.003083 0.001026 30O 1s 0.001982 0.002397 0.001402 0.005717 0.003072 0.001058 30O 2s 0.005169 0.006183 0.003037 0.013651 0.007751 0.002583 30O 3s 0.001344 -0.005341 -0.000748 -0.005458 -0.001522 0.023808 30O 4s 0.064012 -0.086385 -0.165382 -0.360999 -0.136558 -0.183912 30O 5s -2.638877 -0.408180 1.644267 0.366077 -0.517687 -1.607288 30O 1pz -0.006639 -0.024644 -0.071964 -0.000479 -0.015492 -0.014108 30O 1px -0.053084 -0.000798 0.040799 0.061001 -0.032846 -0.064386 30O 1py -0.071712 -0.069928 0.002325 0.008213 -0.022390 0.032398 30O 2pz 0.155398 0.104499 -0.006980 0.044584 0.102775 0.169676 30O 2px -0.094559 -0.044020 -0.001177 -0.172551 -0.077892 -0.135853 30O 2py -0.112824 -0.031244 0.096400 0.001366 -0.091198 -0.185962 30O 3pz 0.486143 0.116000 -0.622365 0.068049 0.157129 0.444521 30O 3px -1.137642 -0.149688 0.791145 0.232567 -0.278573 -0.790707 30O 3py -0.734369 -0.335233 0.027029 -0.036151 -0.258468 -0.678530 30O 1dz2 -0.000421 -0.001289 -0.003798 -0.005417 -0.002716 -0.002101 30O 1dxz -0.000384 -0.001677 -0.004743 -0.001651 -0.001285 -0.001936 30O 1dyz -0.001653 0.001315 0.000436 -0.006171 0.000497 0.005411 30O 1dx2y2 -0.006117 -0.002245 0.000925 -0.003253 0.000552 -0.000731 30O 1dxy 0.000080 -0.003299 -0.003338 0.000501 0.001336 0.002605 30O 2dz2 0.162715 0.056534 0.011701 -0.167626 0.006581 0.046664 30O 2dxz 0.130356 -0.017420 -0.361769 -0.021120 0.069393 0.135712 30O 2dyz 0.234201 0.097891 -0.177450 -0.127556 0.098863 0.164664 30O 2dx2y2 -0.039596 0.021755 0.071721 0.037157 -0.021324 -0.096383 30O 2dxy -0.220013 -0.125001 -0.081227 0.106995 -0.124741 -0.174082 30O 1f0 -0.003728 -0.005296 -0.002262 -0.001173 -0.004795 -0.006872 30O 1f+1 -0.002138 -0.001918 -0.002290 0.001625 0.000636 0.001187 30O 1f-1 -0.002553 -0.006006 -0.003682 -0.001368 -0.005068 -0.003883 30O 1f+2 0.002666 -0.003761 -0.000472 0.002353 -0.003025 -0.000705 30O 1f-2 0.008552 0.004307 0.000943 0.009380 0.004917 0.003023 30O 1f+3 0.000619 -0.002337 -0.000586 -0.002904 -0.004081 0.002769 30O 1f-3 0.007827 0.004396 -0.001665 0.006640 0.001850 0.003491 31O 1s 0.001933 -0.002507 0.001704 -0.006060 0.002539 -0.000841 31O 2s 0.005041 -0.006575 0.003842 -0.014523 0.006462 -0.002006 31O 3s 0.001318 0.005691 -0.000878 0.006089 -0.000305 -0.019940 31O 4s 0.063602 0.059799 -0.175904 0.381410 -0.110107 0.131580 31O 5s -2.589348 0.926590 1.502633 -0.396517 -0.548829 1.525835 31O 1pz 0.003329 -0.013339 0.076525 -0.002155 0.015326 -0.021894 31O 1px 0.051265 -0.013877 -0.036495 0.060035 0.038919 -0.058591 31O 1py 0.068853 -0.075730 0.008806 0.007811 0.016903 0.033445 31O 2pz -0.146572 0.122786 -0.015007 0.051062 -0.098889 0.153497 31O 2px 0.092660 -0.055986 0.009233 -0.179590 0.066377 -0.115632 31O 2py 0.108754 -0.061988 -0.084484 -0.003658 0.093857 -0.158186 31O 3pz -0.483076 0.265989 0.590727 0.066908 -0.147770 0.354671 31O 3px 1.118846 -0.387518 -0.726945 0.248143 0.304300 -0.775041 31O 3py 0.725290 -0.408689 0.042299 -0.056747 0.248552 -0.557245 31O 1dz2 -0.000330 0.000850 -0.003860 0.005691 -0.002459 0.002701 31O 1dxz -0.000073 0.000959 -0.004973 0.001857 -0.001250 0.001876 31O 1dyz -0.001856 -0.001086 0.000937 0.006063 0.001234 -0.004513 31O 1dx2y2 -0.006041 0.002851 0.000645 0.003045 0.000849 0.001148 31O 1dxy 0.000247 0.002604 -0.003771 -0.000544 0.001555 -0.002518 31O 2dz2 0.157762 -0.066904 0.030753 0.170842 0.016017 -0.053012 31O 2dxz 0.133091 -0.057435 -0.358931 0.023339 0.072234 -0.105394 31O 2dyz 0.228478 -0.150098 -0.153581 0.125906 0.107183 -0.125001 31O 2dx2y2 -0.037690 -0.003888 0.069098 -0.038819 -0.030678 0.108814 31O 2dxy -0.215073 0.134449 -0.108265 -0.095447 -0.126165 0.115923 31O 1f0 0.003344 -0.005497 0.003281 -0.001706 0.004552 -0.005400 31O 1f+1 0.002129 -0.001670 0.002655 0.001586 -0.000699 0.001278 31O 1f-1 0.002099 -0.005779 0.004751 -0.001806 0.004927 -0.003678 31O 1f+2 -0.002917 -0.003576 0.001179 0.002043 0.003020 -0.000400 31O 1f-2 -0.008268 0.005117 -0.001636 0.009753 -0.004045 0.003511 31O 1f+3 -0.000808 -0.002351 0.000874 -0.003166 0.003688 0.002470 31O 1f-3 -0.007479 0.005391 0.000922 0.006609 -0.001283 0.004286 32O 1s -0.000428 -0.001264 -0.001482 0.004279 -0.001018 0.005004 32O 2s -0.000282 -0.004089 -0.007540 0.014631 -0.003798 0.017804 32O 3s -0.029086 0.033437 0.108661 -0.122893 0.032151 -0.154966 32O 4s 0.074191 -0.015053 -0.313942 0.202525 -0.119254 0.310522 32O 5s 0.394462 -0.296094 -0.197759 0.442153 0.285884 0.249544 32O 1pz -0.000633 -0.000175 0.007338 -0.003130 -0.038902 -0.027237 32O 1px 0.028369 0.002279 -0.041281 -0.006108 -0.012247 0.019747 32O 1py -0.041225 0.038262 0.027069 -0.079539 0.014850 -0.048586 32O 2pz 0.099640 -0.073519 -0.048626 0.002877 0.073289 0.262095 32O 2px -0.059309 0.051900 0.103248 -0.145222 0.013047 -0.071536 32O 2py 0.100591 -0.067685 -0.141896 0.183570 -0.023763 0.148434 32O 3pz -0.186046 0.106572 0.047066 -0.056900 0.032996 -0.242387 32O 3px 0.119700 -0.157426 -0.096685 0.268335 0.108618 0.131828 32O 3py -0.107478 0.139121 -0.009602 -0.108141 -0.104612 0.010418 32O 1dz2 -0.001502 0.002654 0.000187 -0.001100 0.000390 -0.005890 32O 1dxz 0.003571 0.000659 -0.000247 -0.004155 0.000476 0.002679 32O 1dyz 0.000382 0.001570 -0.000131 0.000603 -0.000061 -0.002102 32O 1dx2y2 -0.001943 -0.000368 0.001196 0.000846 -0.001704 0.004564 32O 1dxy -0.000669 -0.001676 0.000372 0.001906 0.000145 0.001971 32O 2dz2 0.135541 -0.022321 -0.065365 -0.002274 -0.150619 0.196860 32O 2dxz -0.259691 0.105296 0.073403 -0.030035 0.166953 -0.329949 32O 2dyz -0.167355 0.019172 0.075965 0.042711 0.221592 -0.262904 32O 2dx2y2 0.117345 -0.221940 0.008806 0.283436 0.250901 -0.003248 32O 2dxy -0.075911 0.027832 -0.014284 -0.003191 0.003615 -0.017468 32O 1f0 0.006119 -0.001664 -0.011425 0.007634 -0.001376 0.012702 32O 1f+1 0.000703 -0.001529 0.005410 -0.004913 0.000292 0.000602 32O 1f-1 0.014476 -0.008786 -0.015734 0.014663 0.003471 0.023778 32O 1f+2 -0.004712 0.000884 0.005916 -0.000807 0.002545 -0.011131 32O 1f-2 0.001699 -0.001201 -0.009883 0.012799 -0.004532 -0.000257 32O 1f+3 -0.000662 0.000417 0.002724 -0.003691 -0.000132 0.002304 32O 1f-3 -0.001763 -0.000078 0.004271 -0.006588 0.002456 0.001763 33O 1s -0.002770 0.005624 -0.003456 0.001877 0.000111 -0.003297 33O 2s -0.007002 0.014253 -0.008762 0.005423 0.000081 -0.009683 33O 3s 0.023663 -0.022687 0.003798 -0.047703 -0.004655 0.029251 33O 4s 0.165285 -0.168035 0.110089 0.186182 0.204932 0.015886 33O 5s -1.674279 -0.625716 1.612505 1.134698 -1.768372 1.247498 33O 1pz -0.038110 -0.031093 0.009307 -0.118497 -0.064427 -0.025323 33O 1px 0.031269 -0.002131 -0.061803 -0.075961 0.021651 -0.058224 33O 1py 0.024790 -0.055087 0.045081 -0.072304 -0.037866 -0.047716 33O 2pz -0.045071 -0.047850 0.180297 0.223919 -0.027117 0.141983 33O 2px -0.001779 0.116600 -0.131820 -0.152077 0.005117 -0.055398 33O 2py -0.045295 0.005544 0.002288 0.060377 -0.017165 0.051694 33O 3pz -0.804014 -0.398496 0.242835 0.217609 -0.171639 0.438624 33O 3px 0.981797 0.252271 -0.817428 -0.696394 0.773879 -0.742304 33O 3py 0.051624 -0.169319 0.274348 -0.093937 0.060231 0.161742 33O 1dz2 0.002543 0.007172 0.000445 0.004546 0.005577 0.006385 33O 1dxz 0.002665 0.000785 0.004598 0.001885 -0.000978 0.002528 33O 1dyz -0.001134 0.003528 0.000157 0.009895 0.006111 0.000118 33O 1dx2y2 -0.004061 0.002816 0.002118 -0.002617 -0.003997 0.000965 33O 1dxy -0.005329 0.001898 -0.002024 -0.000087 0.000544 0.000669 33O 2dz2 -0.132456 0.035793 -0.058249 -0.139613 0.009015 0.063447 33O 2dxz 0.304785 0.062375 -0.094555 -0.070069 0.024626 -0.162458 33O 2dyz -0.120455 -0.110102 0.154681 0.018043 -0.089718 0.052409 33O 2dx2y2 -0.141000 0.019283 0.244616 0.194574 -0.151381 0.143599 33O 2dxy -0.158200 0.163121 -0.231513 0.040382 0.058087 0.008025 33O 1f0 0.002671 0.004302 -0.000334 -0.000293 0.002957 0.004203 33O 1f+1 -0.003690 0.006205 -0.007614 -0.000729 0.001948 -0.000882 33O 1f-1 0.004595 -0.000785 0.004371 0.005124 0.002801 0.005332 33O 1f+2 0.000595 -0.005954 0.006093 0.001709 -0.007546 0.000397 33O 1f-2 -0.003768 0.003329 -0.000575 0.000340 0.001338 -0.001467 33O 1f+3 -0.001004 -0.001148 0.002733 0.003484 0.000755 0.002889 33O 1f-3 -0.000755 -0.000190 0.001970 0.002745 0.002139 -0.000869 34O 1s -0.000926 -0.002860 -0.002277 0.002447 0.001421 0.000550 34O 2s -0.002351 -0.007766 -0.005444 0.005532 0.004499 0.000377 34O 3s 0.015403 -0.002338 -0.000697 0.019786 -0.011613 0.014882 34O 4s 0.060854 0.207813 0.046476 -0.218056 0.018651 -0.147323 34O 5s -2.122908 1.551488 1.622301 -1.504975 -0.808121 0.671101 34O 1pz -0.001963 0.003401 -0.049488 0.047137 -0.002977 -0.021841 34O 1px -0.066604 0.057579 0.040685 -0.018455 -0.058793 0.022576 34O 1py -0.047700 0.043033 -0.047897 -0.078626 -0.009823 0.029392 34O 2pz -0.025628 -0.022099 0.045061 -0.007734 0.011075 0.050405 34O 2px -0.194167 0.238304 0.179128 -0.251791 -0.009606 0.001543 34O 2py 0.141677 -0.115217 -0.038894 0.120643 0.025434 -0.062963 34O 3pz 0.336389 0.046102 -0.175366 -0.002289 -0.128125 -0.151070 34O 3px -0.834406 1.083832 0.585644 -0.890213 -0.974097 0.426831 34O 3py -0.497404 0.013319 0.103750 0.083842 0.339292 -0.094375 34O 1dz2 0.000344 -0.004211 0.001769 0.001030 0.003266 0.000265 34O 1dxz 0.001080 0.000567 0.002060 -0.000862 0.001496 0.003237 34O 1dyz 0.004615 -0.002833 -0.000030 -0.000115 0.001783 -0.005306 34O 1dx2y2 0.006213 -0.002798 -0.001759 0.004178 -0.004185 0.000770 34O 1dxy 0.000974 0.000492 0.002632 0.001374 -0.001930 -0.002128 34O 2dz2 0.135729 -0.220579 -0.195455 0.038647 0.170341 -0.060481 34O 2dxz 0.045001 -0.002375 0.013021 0.018338 0.007566 -0.024706 34O 2dyz 0.167028 -0.072792 0.030364 0.012022 0.079523 -0.092260 34O 2dx2y2 -0.129307 0.238902 0.039979 -0.187950 -0.317385 0.091701 34O 2dxy -0.021037 -0.005957 -0.024183 0.026743 0.074616 -0.029816 34O 1f0 -0.001639 0.001241 -0.000216 0.001451 -0.001462 -0.003536 34O 1f+1 0.004884 -0.004811 0.000994 0.011774 -0.000995 0.000458 34O 1f-1 -0.002420 0.002612 -0.000141 -0.002695 0.001376 -0.002097 34O 1f+2 0.000886 -0.002724 -0.001669 0.001511 0.002958 -0.003350 34O 1f-2 0.001047 -0.000161 -0.004953 0.003039 -0.002206 -0.003166 34O 1f+3 -0.000023 -0.000539 -0.008223 0.000321 -0.001994 0.002017 34O 1f-3 -0.001645 0.000021 0.010897 -0.002471 0.003005 0.001118 35O 1s 0.002548 0.003003 0.000488 0.008025 0.000823 0.001297 35O 2s 0.005963 0.008497 0.000604 0.019957 0.002264 0.002985 35O 3s 0.011754 -0.020609 0.001470 -0.010048 -0.007235 -0.015058 35O 4s -0.150096 -0.160905 -0.110686 -0.566063 0.033519 -0.057293 35O 5s -1.382568 0.059353 1.356010 0.074358 -1.729443 1.516519 35O 1pz 0.052229 -0.061659 0.031382 -0.039277 0.029212 0.006798 35O 1px 0.001709 -0.027470 0.080100 0.013683 -0.054848 0.085712 35O 1py -0.003828 -0.047802 -0.014862 -0.067224 -0.002772 0.022944 35O 2pz -0.103951 0.035601 0.031251 0.078382 -0.064053 0.059126 35O 2px -0.247448 -0.036115 0.022667 -0.226443 -0.138455 0.042871 35O 2py -0.133678 0.003975 0.071307 0.016078 -0.086777 0.039738 35O 3pz 0.226829 -0.214535 -0.035646 -0.152687 0.665951 0.112140 35O 3px -0.480172 -0.253686 0.828857 -0.237604 -0.592275 0.953459 35O 3py -0.021655 0.014369 0.277470 -0.361767 0.064696 0.614043 35O 1dz2 -0.004907 0.002174 -0.000968 -0.000756 -0.007021 0.001155 35O 1dxz -0.000880 0.004907 -0.004174 0.003928 -0.000521 0.000048 35O 1dyz -0.004014 0.001655 0.000243 0.008962 -0.002686 0.000102 35O 1dx2y2 0.005722 -0.001981 0.000661 -0.002931 0.001838 0.006655 35O 1dxy 0.002613 0.000200 0.003204 0.005281 0.003559 0.003204 35O 2dz2 0.068227 -0.001342 -0.016507 0.088501 -0.125946 -0.180393 35O 2dxz -0.009641 -0.037186 0.013329 -0.001710 0.148495 0.046655 35O 2dyz -0.122933 0.066641 0.024053 0.143823 0.021942 0.034134 35O 2dx2y2 0.037927 -0.172696 0.213622 -0.008904 -0.144295 0.268436 35O 2dxy -0.051382 -0.036607 0.267145 -0.027912 -0.028171 0.265442 35O 1f0 0.003661 -0.001478 -0.002084 -0.003536 -0.000205 0.003230 35O 1f+1 0.000078 0.006578 -0.006095 0.001454 0.003486 0.001737 35O 1f-1 -0.000618 0.001703 -0.002869 0.006576 0.001727 0.004971 35O 1f+2 -0.001177 0.001326 -0.002983 -0.002741 0.003046 -0.000377 35O 1f-2 -0.006534 -0.000061 0.000830 0.005615 -0.003340 -0.002892 35O 1f+3 0.000274 0.001453 -0.001018 0.005228 0.002644 -0.000695 35O 1f-3 0.013359 -0.005648 0.006820 0.005091 0.001166 -0.001712 396 397 398 399 400 401 2.14903 2.16048 2.16920 2.16943 2.17498 2.18084 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s 0.001559 0.003101 -0.002384 -0.001623 -0.001297 -0.000108 0Rh 2s -0.012529 -0.013994 0.010756 0.011158 0.006890 0.001363 0Rh 3s 0.001531 0.009721 -0.007478 -0.002747 -0.003430 0.000194 0Rh 4s 0.063552 0.070173 -0.054003 -0.056438 -0.034668 -0.006906 0Rh 5s -0.122029 -0.090911 0.070463 0.100009 0.051719 0.014621 0Rh 6s 0.098276 -0.083870 0.063171 -0.048372 0.015332 -0.015902 0Rh 7s -0.304158 0.567338 -0.351047 0.233716 -0.048313 0.122384 0Rh 8s -0.152874 -0.364244 0.219914 0.366677 -0.079222 0.197861 0Rh 1pz 0.000583 0.001749 0.006471 0.000094 -0.001809 0.001254 0Rh 1px 0.004895 -0.000208 0.002896 0.002317 0.001447 0.003294 0Rh 1py 0.003522 -0.001464 0.002013 0.005990 0.004459 0.006016 0Rh 2pz -0.002080 -0.005721 -0.021991 -0.000778 0.006626 -0.004319 0Rh 2px -0.017185 0.000330 -0.010224 -0.008082 -0.005988 -0.011441 0Rh 2py -0.011770 0.004914 -0.006895 -0.021053 -0.015188 -0.021074 0Rh 3pz 0.002025 -0.005251 -0.001894 0.009660 -0.010206 0.001462 0Rh 3px 0.009697 0.007712 0.007569 0.004151 0.022547 0.004545 0Rh 3py -0.005479 0.002188 0.000498 0.012981 -0.000830 0.011316 0Rh 4pz 0.004574 0.059056 0.154750 -0.033400 -0.000744 0.020493 0Rh 4px 0.081972 -0.031494 0.036864 0.035602 -0.050617 0.057948 0Rh 4py 0.102860 -0.044643 0.044828 0.090097 0.106395 0.097816 0Rh 5pz 0.000974 -0.104334 -0.282345 0.064422 -0.006063 -0.028094 0Rh 5px -0.174663 0.048250 -0.060262 -0.064018 0.091220 -0.110831 0Rh 5py -0.193443 0.091186 -0.088403 -0.163504 -0.201451 -0.179801 0Rh 6pz -0.411462 -0.166249 0.711366 -0.393793 -0.098487 -0.009335 0Rh 6px 0.165240 -0.210786 -0.193900 0.114953 -0.571177 0.289742 0Rh 6py 0.175531 -0.123218 0.967096 -0.452741 0.668673 -0.449218 0Rh 1dz2 -0.003581 0.004366 0.018193 0.005548 -0.011293 0.009104 0Rh 1dxz -0.003618 -0.000732 -0.007554 0.000222 0.015462 -0.008388 0Rh 1dyz -0.007868 0.003833 -0.003154 -0.003412 0.006654 -0.002237 0Rh 1dx2y2 0.008503 0.005595 -0.004314 -0.013368 -0.006962 -0.007031 0Rh 1dxy 0.011427 -0.011756 -0.002756 -0.001462 -0.011352 0.003750 0Rh 2dz2 0.001368 -0.001907 0.000810 0.000236 0.000116 -0.001318 0Rh 2dxz 0.000043 -0.003968 -0.000112 0.000040 -0.001037 -0.000897 0Rh 2dyz 0.000458 0.000098 0.000099 0.000285 -0.000270 0.000474 0Rh 2dx2y2 -0.000206 0.003480 -0.002655 0.001295 0.002572 -0.000133 0Rh 2dxy -0.002250 0.002139 -0.000306 -0.000724 -0.000091 -0.001322 0Rh 3dz2 0.003689 -0.002864 -0.051591 -0.015717 0.029347 -0.018288 0Rh 3dxz 0.009441 0.019655 0.020263 -0.000921 -0.036047 0.026020 0Rh 3dyz 0.018735 -0.010403 0.007844 0.007661 -0.016474 0.003934 0Rh 3dx2y2 -0.021629 -0.030574 0.023208 0.029739 0.006848 0.019048 0Rh 3dxy -0.020342 0.021266 0.008853 0.007050 0.030333 -0.004172 0Rh 4dz2 0.015338 -0.031444 0.008130 0.003069 0.003509 -0.019751 0Rh 4dxz -0.000124 -0.058762 0.001746 0.003818 -0.021977 -0.008511 0Rh 4dyz 0.006778 -0.002403 0.002423 0.006215 -0.003438 0.005874 0Rh 4dx2y2 -0.001937 0.054810 -0.038083 0.017782 0.040670 0.000670 0Rh 4dxy -0.032417 0.037234 -0.008076 -0.010195 0.001843 -0.018628 0Rh 5dz2 -0.046289 0.135105 0.052893 0.023387 -0.055891 0.094322 0Rh 5dxz -0.030077 0.186392 -0.021926 -0.030733 0.185150 -0.026505 0Rh 5dyz -0.022587 0.075522 -0.002202 -0.025706 0.003412 -0.028405 0Rh 5dx2y2 0.059986 -0.161796 0.089959 -0.107423 -0.194478 -0.031673 0Rh 5dxy 0.177399 -0.185074 0.047878 0.035098 -0.062883 0.080742 0Rh 1f0 0.058304 0.096028 0.211162 0.006042 -0.263790 -0.292729 0Rh 1f+1 -0.014711 0.158309 0.250100 0.155220 -0.097426 -0.357632 0Rh 1f-1 -0.057993 -0.056608 -0.173930 -0.110230 -0.123100 0.126496 0Rh 1f+2 -0.072548 0.061789 -0.165486 -0.029397 -0.073328 0.047556 0Rh 1f-2 -0.067876 0.027813 -0.090742 0.021296 0.063902 0.046963 0Rh 1f+3 -0.102465 0.071845 -0.047005 0.094610 -0.175651 -0.036031 0Rh 1f-3 -0.253866 0.206306 0.160018 0.051155 0.306118 -0.088425 1Rh 1s 0.001834 -0.003168 0.002621 -0.001158 0.001291 -0.000125 1Rh 2s -0.014052 0.014389 -0.012509 0.009018 -0.006931 0.001455 1Rh 3s 0.002222 -0.009875 0.007803 -0.001315 0.003371 0.000151 1Rh 4s 0.071210 -0.072161 0.062881 -0.045689 0.034890 -0.007371 1Rh 5s -0.133757 0.094102 -0.086775 0.085666 -0.052556 0.015309 1Rh 6s 0.096244 0.083689 -0.052976 -0.059471 -0.013095 -0.015656 1Rh 7s -0.304085 -0.568331 0.298271 0.297452 0.042886 0.119724 1Rh 8s -0.136311 0.376377 -0.282969 0.320569 0.098762 0.195766 1Rh 1pz -0.002870 0.001605 0.006621 0.000671 -0.002094 -0.001030 1Rh 1px -0.005625 -0.000207 0.003490 -0.001952 0.001091 -0.003237 1Rh 1py -0.002231 -0.001538 0.002913 -0.005634 0.004636 -0.006035 1Rh 2pz 0.010006 -0.005200 -0.022584 -0.001837 0.007600 0.003556 1Rh 2px 0.019506 0.000318 -0.012298 0.006802 -0.004761 0.011250 1Rh 2py 0.007293 0.005175 -0.010077 0.019850 -0.015805 0.021132 1Rh 3pz -0.004585 -0.005895 -0.000101 -0.009504 -0.010222 -0.001473 1Rh 3px -0.005944 0.007887 0.008616 -0.003342 0.022250 -0.004627 1Rh 3py 0.007051 0.001998 0.002803 -0.013242 -0.000507 -0.011161 1Rh 4pz -0.048297 0.058089 0.151447 0.050268 -0.007200 -0.015458 1Rh 4px -0.112983 -0.032112 0.046182 -0.030574 -0.057799 -0.056348 1Rh 4py -0.079196 -0.045728 0.057134 -0.080730 0.109036 -0.098885 1Rh 5pz 0.081645 -0.102474 -0.275282 -0.095244 0.005267 0.019296 1Rh 5px 0.231672 0.049598 -0.077116 0.056542 0.105267 0.107913 1Rh 5py 0.150624 0.093410 -0.110994 0.144871 -0.205392 0.181825 1Rh 6pz 0.068130 -0.168699 0.639914 0.463620 -0.084005 0.018832 1Rh 6px -0.381854 -0.222537 -0.167404 -0.160483 -0.581442 -0.290578 1Rh 6py -0.159800 -0.105674 0.885123 0.605824 0.650196 0.481449 1Rh 1dz2 -0.006287 -0.004593 -0.019213 0.003044 0.011076 0.007664 1Rh 1dxz -0.002547 0.000989 0.007540 0.000879 -0.015177 -0.007407 1Rh 1dyz -0.008541 -0.004117 0.003618 -0.002684 -0.007068 -0.002154 1Rh 1dx2y2 0.012019 -0.005831 0.006768 -0.012600 0.006846 -0.007193 1Rh 1dxy 0.011949 0.011751 0.002898 -0.001434 0.012230 0.003926 1Rh 2dz2 0.001719 0.001973 -0.000744 0.000066 -0.000075 -0.001274 1Rh 2dxz 0.000452 0.004014 0.000199 -0.000075 0.000935 -0.000820 1Rh 2dyz 0.000953 -0.000054 -0.000182 0.000247 0.000385 0.000471 1Rh 2dx2y2 -0.000731 -0.003414 0.002474 0.001828 -0.002727 -0.000033 1Rh 2dxy -0.002068 -0.002135 0.000362 -0.000588 0.000120 -0.001365 1Rh 3dz2 0.009140 0.003167 0.054002 -0.008343 -0.028959 -0.014680 1Rh 3dxz 0.004887 -0.020539 -0.020583 -0.002105 0.035731 0.023099 1Rh 3dyz 0.018304 0.010955 -0.008689 0.005927 0.017054 0.003718 1Rh 3dx2y2 -0.028452 0.030923 -0.028897 0.025325 -0.005878 0.019035 1Rh 3dxy -0.022511 -0.021267 -0.009478 0.006330 -0.032774 -0.004456 1Rh 4dz2 0.022819 0.032461 -0.007256 0.000927 -0.002791 -0.018689 1Rh 4dxz 0.003802 0.059372 -0.001116 0.001517 0.020594 -0.007868 1Rh 4dyz 0.013741 0.003033 -0.003874 0.005212 0.005165 0.006041 1Rh 4dx2y2 -0.011902 -0.054117 0.035368 0.025620 -0.042623 0.002034 1Rh 4dxy -0.030113 -0.037273 0.008909 -0.007427 -0.001794 -0.019113 1Rh 5dz2 -0.098865 -0.138125 -0.060606 0.020865 0.051365 0.082584 1Rh 5dxz -0.021554 -0.187297 0.023457 -0.020903 -0.180122 -0.022106 1Rh 5dyz -0.039116 -0.075018 0.007471 -0.017885 -0.009591 -0.034105 1Rh 5dx2y2 0.125590 0.160298 -0.071481 -0.127674 0.201287 -0.036469 1Rh 5dxy 0.173742 0.186887 -0.051140 0.020505 0.068420 0.080673 1Rh 1f0 -0.112821 0.090518 0.193152 0.002513 -0.241017 0.306469 1Rh 1f+1 -0.014363 0.139935 0.256281 -0.135482 -0.079674 0.370741 1Rh 1f-1 0.083298 -0.045249 -0.184740 0.079885 -0.118784 -0.128600 1Rh 1f+2 0.054430 0.067206 -0.169100 -0.006774 -0.064544 -0.052330 1Rh 1f-2 0.086093 0.024840 -0.080693 -0.028306 0.054290 -0.050632 1Rh 1f+3 0.112485 0.067132 -0.041154 -0.109990 -0.154232 0.040381 1Rh 1f-3 0.250104 0.199074 0.178526 -0.020229 0.284264 0.094207 2C 1s -0.003002 -0.000362 0.000937 0.000862 0.001767 -0.000571 2C 2s -0.005882 -0.001556 -0.001364 0.008590 0.011790 -0.003193 2C 3s -0.033756 0.021037 0.044907 -0.110626 -0.123982 0.005149 2C 4s 0.521853 -0.063517 -0.126789 0.234487 0.304240 0.087366 2C 5s 0.794422 -0.729094 1.559299 -1.445749 -1.805300 -0.262191 2C 1pz 0.045764 -0.009339 0.050355 -0.042270 -0.027367 0.003116 2C 1px -0.088320 -0.046982 -0.022798 -0.037069 0.029645 0.022085 2C 1py 0.012684 0.055114 -0.069739 0.046663 0.012057 -0.040456 2C 2pz 0.338554 -0.054695 -0.180696 0.182209 0.240658 -0.019451 2C 2px 0.319409 0.114330 0.001418 0.094619 -0.066077 -0.107675 2C 2py 0.248600 -0.155804 0.086642 -0.099367 0.033461 0.117095 2C 3pz 0.237082 -0.197748 0.393065 -0.364351 -0.372480 -0.086795 2C 3px -0.026981 -0.067727 0.017933 0.128518 -0.121887 0.017912 2C 3py 0.140600 -0.009326 0.146722 -0.178126 -0.308993 -0.035538 2C 1dz2 -0.002933 -0.027110 0.011034 0.013918 0.035042 -0.009164 2C 1dxz 0.014356 0.039819 -0.041700 0.028263 0.041981 0.001632 2C 1dyz -0.017894 -0.005973 0.010674 -0.012300 -0.012361 0.004459 2C 1dx2y2 0.002858 -0.019727 0.009731 -0.021819 0.011275 -0.029092 2C 1dxy 0.002477 0.041294 -0.014900 0.003920 -0.012478 0.013581 2C 2dz2 0.063298 0.093817 -0.111210 0.039651 -0.020299 -0.004110 2C 2dxz 0.126886 -0.095095 0.191633 -0.041861 -0.169782 -0.038938 2C 2dyz 0.123915 -0.002656 -0.069345 -0.030234 0.062546 0.032850 2C 2dx2y2 -0.068967 0.148752 -0.135450 0.069483 -0.032109 0.000496 2C 2dxy 0.110347 -0.153613 0.150001 -0.034976 0.040441 -0.065725 2C 1f0 -0.004358 -0.024652 0.006878 -0.022379 -0.003054 -0.035492 2C 1f+1 0.000535 0.008321 -0.004176 -0.006797 -0.007402 -0.004582 2C 1f-1 0.027179 0.003597 -0.001184 0.028149 0.017621 0.023674 2C 1f+2 0.017738 0.005653 -0.024704 0.049746 0.072993 0.003246 2C 1f-2 -0.006777 0.021978 0.001034 -0.025085 -0.025433 0.003406 2C 1f+3 0.028024 -0.000704 -0.047940 0.049778 0.081429 -0.021736 2C 1f-3 -0.003525 -0.009346 0.001272 -0.012894 -0.018008 -0.015161 3C 1s -0.003043 0.002682 -0.000583 0.000994 -0.000847 0.000629 3C 2s -0.013089 0.015627 0.000978 -0.003825 0.003673 0.001192 3C 3s 0.085745 -0.155859 0.017910 0.095766 -0.049600 -0.040325 3C 4s 0.130844 0.316591 -0.150513 -0.515787 0.130161 0.152608 3C 5s 0.356292 -2.568664 -1.379021 0.417171 -1.605491 -0.080955 3C 1pz -0.010428 0.017336 0.060841 -0.083604 -0.038696 0.053754 3C 1px 0.072282 0.081635 0.023244 0.115598 -0.073467 0.157345 3C 1py -0.040265 0.076655 0.004649 0.047615 -0.078414 0.132890 3C 2pz 0.176876 0.075994 -0.254909 -0.024140 0.129459 -0.138922 3C 2px -0.107720 -0.185677 -0.080261 -0.424374 0.210241 -0.338592 3C 2py -0.068310 -0.274001 -0.006097 0.341757 -0.011701 -0.298195 3C 3pz 0.189902 -0.264686 -0.246634 -0.036923 -0.321449 0.047838 3C 3px 0.026234 -0.173429 -0.103732 0.101866 -0.209882 0.117501 3C 3py -0.041722 0.645302 0.292099 -0.022276 0.285848 0.061101 3C 1dz2 0.002288 -0.031251 -0.009392 0.000313 -0.002719 -0.013367 3C 1dxz 0.006003 0.057510 -0.035393 0.007805 0.002025 -0.001348 3C 1dyz -0.003726 0.035838 0.019925 -0.013167 0.018331 0.009371 3C 1dx2y2 0.012019 -0.003841 -0.059970 0.001331 -0.020325 -0.014891 3C 1dxy 0.006171 -0.060092 0.006176 -0.003189 -0.006110 -0.004110 3C 2dz2 0.021955 0.114867 -0.046808 0.104421 0.020321 -0.015487 3C 2dxz -0.035813 -0.350210 0.109658 -0.188813 0.143421 -0.254263 3C 2dyz -0.109354 -0.201082 0.037146 -0.008449 -0.086019 -0.070942 3C 2dx2y2 -0.076886 -0.108308 0.166267 0.026514 0.167093 -0.160680 3C 2dxy -0.016633 0.233965 0.038995 0.163652 0.024101 0.084083 3C 1f0 0.012556 -0.079769 -0.045630 0.052313 -0.042925 -0.014083 3C 1f+1 0.000260 -0.055516 -0.013641 0.015161 -0.026164 0.003777 3C 1f-1 0.010893 -0.017719 0.010898 0.031067 -0.030014 0.032482 3C 1f+2 -0.036627 0.075148 0.018371 -0.039164 0.044975 -0.004200 3C 1f-2 -0.022178 0.053976 0.025570 -0.034246 0.042639 -0.012352 3C 1f+3 0.007508 0.029811 -0.011145 -0.013873 0.022888 -0.017829 3C 1f-3 0.015526 0.031735 -0.023100 0.020097 -0.010851 0.002257 4C 1s -0.004235 0.005184 0.000932 0.011269 -0.000649 0.001439 4C 2s -0.014261 0.016652 0.004051 0.036414 -0.003348 0.003301 4C 3s 0.198090 -0.043245 -0.411550 0.104429 0.033841 0.031034 4C 4s -0.763065 -0.510699 2.171266 -2.212148 -0.112224 -0.379650 4C 5s -0.265947 -0.223856 0.168967 -0.144342 1.425063 -0.090479 4C 1pz -0.030129 -0.072196 0.026482 -0.077157 -0.020968 0.038109 4C 1px -0.101401 0.136966 -0.097574 -0.138479 -0.116467 -0.186517 4C 1py -0.070289 -0.040680 0.008010 -0.132466 -0.113205 -0.015648 4C 2pz 0.255171 -0.104063 0.385271 -0.315933 0.032847 -0.174059 4C 2px 0.267464 -0.231142 0.160306 -0.085996 0.440127 0.583465 4C 2py 0.293146 -0.033093 0.170912 -0.135950 0.392999 0.019759 4C 3pz 0.617789 -0.645114 1.064422 -0.514537 -0.675170 -0.241399 4C 3px 0.020743 0.120101 -0.056719 -0.502464 0.137029 -0.201516 4C 3py 0.386412 -0.465352 0.748542 -0.525574 -0.320280 -0.199727 4C 1dz2 -0.013329 0.010475 -0.001434 -0.026743 -0.016680 0.004749 4C 1dxz 0.007546 -0.016668 0.015715 0.011685 0.012528 0.043133 4C 1dyz -0.000272 0.002657 0.007492 0.016502 0.007824 -0.008055 4C 1dx2y2 -0.000283 -0.007328 -0.022951 0.023601 -0.003790 -0.005128 4C 1dxy 0.011142 -0.001606 0.012282 0.038785 -0.005962 0.041336 4C 2dz2 -0.331808 0.292570 -0.350774 0.257553 -0.114590 -0.136677 4C 2dxz 0.054892 -0.135715 0.071945 0.259245 -0.011591 0.127375 4C 2dyz -0.263400 -0.066616 0.175612 -0.083914 0.009914 -0.002501 4C 2dx2y2 0.233604 -0.161144 0.423225 -0.359868 -0.039892 -0.041326 4C 2dxy 0.102599 -0.096139 0.227691 -0.085736 -0.015932 0.039158 4C 1f0 0.012669 -0.025882 -0.012745 0.025102 0.043504 -0.019187 4C 1f+1 0.018201 0.020536 -0.052466 0.047200 0.019691 -0.007288 4C 1f-1 -0.009765 -0.015444 -0.012522 0.002181 -0.022326 0.004042 4C 1f+2 0.010911 0.006038 0.009292 -0.000843 0.043423 -0.000081 4C 1f-2 -0.007454 0.026079 -0.019109 -0.007036 -0.015314 -0.020107 4C 1f+3 0.010110 -0.008305 -0.000147 -0.000274 0.006343 0.030633 4C 1f-3 0.017186 0.006849 -0.013949 0.047319 -0.017650 0.014083 5C 1s -0.012294 0.001586 0.007280 0.004846 -0.005273 0.006160 5C 2s -0.041874 0.003111 0.024098 0.014359 -0.017440 0.018893 5C 3s 0.228288 0.065937 -0.122236 -0.134411 0.338133 0.020672 5C 4s 0.247960 -0.536539 -0.394325 0.287761 -1.266510 -0.903115 5C 5s -0.192792 1.536188 0.111713 -0.552290 0.513758 -0.427241 5C 1pz 0.046045 -0.102956 -0.070357 0.069683 0.031056 -0.040690 5C 1px 0.000195 0.009290 -0.187949 0.022317 -0.045218 -0.067715 5C 1py -0.060663 0.088875 0.045583 -0.086134 0.038707 -0.017363 5C 2pz 0.080466 0.204114 0.048076 -0.336493 -0.143979 -0.123589 5C 2px 0.241860 0.114447 0.325468 -0.007734 -0.028023 0.450295 5C 2py -0.148832 -0.100556 0.221811 0.441695 0.050997 0.304072 5C 3pz -0.228788 -0.862546 -0.459805 -0.112358 -0.366069 -0.247409 5C 3px -0.079056 0.053391 -0.442091 0.137899 -0.339712 0.324949 5C 3py 0.255303 1.056147 0.931363 0.206918 0.924168 0.087057 5C 1dz2 0.013524 0.002454 0.002554 0.005667 -0.009833 0.016829 5C 1dxz 0.020419 -0.001408 -0.005009 -0.001620 0.008671 -0.018813 5C 1dyz 0.013662 -0.003784 -0.004836 -0.001700 0.012701 -0.016921 5C 1dx2y2 -0.030750 -0.007625 0.019491 -0.028317 0.023922 0.003467 5C 1dxy -0.005258 -0.001407 -0.017771 -0.002332 0.004323 -0.016527 5C 2dz2 -0.025490 0.085747 0.040966 0.086440 0.293098 -0.168089 5C 2dxz -0.157576 0.071290 0.177430 0.163391 0.042529 0.201616 5C 2dyz 0.103525 -0.144291 0.049475 -0.244245 0.103861 0.084740 5C 2dx2y2 0.359009 -0.342875 -0.047187 -0.321624 0.009514 -0.301319 5C 2dxy 0.264354 0.536204 -0.304177 0.093015 -0.235608 0.277545 5C 1f0 0.001680 0.012063 0.008528 -0.013644 -0.007090 0.015719 5C 1f+1 -0.010662 -0.008267 -0.019666 -0.021854 0.000570 -0.001998 5C 1f-1 -0.001568 0.035494 0.046550 -0.011638 0.002277 0.027809 5C 1f+2 -0.007074 0.046431 0.013017 -0.015572 0.014962 -0.015213 5C 1f-2 0.009824 0.012379 0.038332 -0.009626 -0.004843 0.002318 5C 1f+3 -0.025703 0.024696 0.001604 -0.006939 0.009548 0.029211 5C 1f-3 0.030581 0.005446 -0.060413 0.008758 -0.027896 -0.019417 6C 1s -0.013507 -0.001858 -0.008353 0.003561 0.005314 0.005567 6C 2s -0.046024 -0.004076 -0.027303 0.010002 0.017476 0.016987 6C 3s 0.155908 -0.062415 0.138381 -0.114114 -0.325315 0.028133 6C 4s 0.849342 0.557200 0.418379 0.364176 1.178227 -0.860663 6C 5s 0.375421 -1.548167 -0.021241 -0.478378 -0.513985 -0.432743 6C 1pz -0.035932 -0.110528 -0.059070 -0.076577 0.029928 0.034724 6C 1px -0.008027 0.010608 -0.196051 -0.047819 -0.028391 0.059296 6C 1py 0.054952 0.093775 0.031978 0.091734 0.038160 0.020819 6C 2pz -0.227477 0.229708 -0.015589 0.325744 -0.127080 0.125355 6C 2px -0.156504 0.095262 0.360320 0.046024 -0.079043 -0.430654 6C 2py 0.327515 -0.118952 0.304642 -0.394029 0.031189 -0.288793 6C 3pz 0.109380 -0.833732 -0.483852 0.063923 -0.332452 0.202680 6C 3px 0.069273 0.058041 -0.418755 -0.210107 -0.306425 -0.334461 6C 3py -0.166527 0.999155 0.971636 -0.086922 0.860110 -0.026092 6C 1dz2 0.017675 -0.002353 -0.003490 0.005539 0.009673 0.016576 6C 1dxz 0.025978 0.002823 0.004020 0.000607 -0.005504 -0.018020 6C 1dyz 0.013099 0.004248 0.005498 -0.000760 -0.012070 -0.016264 6C 1dx2y2 -0.032419 0.005554 -0.017162 -0.032357 -0.021422 0.002998 6C 1dxy -0.010148 0.001999 0.020399 -0.000388 -0.007048 -0.015692 6C 2dz2 -0.047786 -0.072811 -0.051159 0.077639 -0.290820 -0.168630 6C 2dxz -0.239848 -0.063932 -0.213368 0.130692 -0.030875 0.187093 6C 2dyz 0.025093 0.132059 -0.019527 -0.256289 -0.086418 0.089323 6C 2dx2y2 0.404994 0.342004 0.107383 -0.319392 -0.003861 -0.280823 6C 2dxy 0.338288 -0.531459 0.285349 0.164779 0.223069 0.265193 6C 1f0 0.001812 0.013231 0.006439 0.014763 -0.006825 -0.014716 6C 1f+1 0.019769 -0.007214 -0.021108 0.019746 -0.001710 0.001965 6C 1f-1 -0.004911 0.036913 0.045810 0.017155 0.000795 -0.025671 6C 1f+2 -0.003590 0.046744 0.010241 0.015441 0.014313 0.016190 6C 1f-2 -0.024074 0.012688 0.038146 0.013324 -0.007346 -0.000888 6C 1f+3 0.031727 0.026255 0.002929 0.007020 0.008071 -0.028213 6C 1f-3 -0.033786 0.003724 -0.059550 -0.018782 -0.027603 0.017705 7C 1s -0.007639 -0.004668 -0.002743 0.011127 0.000479 0.001189 7C 2s -0.025379 -0.014889 -0.009852 0.035894 0.002835 0.002358 7C 3s 0.170379 0.045358 0.394980 0.149419 -0.033010 0.049680 7C 4s -0.121060 0.425137 -1.820214 -2.446725 0.118723 -0.446852 7C 5s 0.078895 0.190439 -0.142817 -0.192656 -1.431800 -0.010558 7C 1pz 0.013648 -0.067683 0.014673 0.083652 -0.015563 -0.037543 7C 1px 0.088409 0.134770 -0.124045 0.111578 -0.118159 0.192500 7C 1py 0.046895 -0.036866 -0.008788 0.130867 -0.117887 0.019130 7C 2pz -0.403147 -0.091706 0.326255 0.347757 0.022746 0.176884 7C 2px -0.372481 -0.215352 0.167253 0.138408 0.446992 -0.608142 7C 2py -0.395041 -0.027042 0.137942 0.161425 0.408390 -0.032525 7C 3pz -0.996543 -0.686567 0.958193 0.623218 -0.684236 0.305727 7C 3px -0.130739 0.122889 -0.140731 0.481741 0.147233 0.191188 7C 3py -0.603667 -0.494083 0.662457 0.619720 -0.340607 0.241451 7C 1dz2 -0.007438 -0.011640 0.004224 -0.025109 0.017962 0.004317 7C 1dxz 0.006302 0.014567 -0.018275 0.008743 -0.013934 0.043781 7C 1dyz -0.001871 -0.001915 -0.008834 0.014870 -0.009937 -0.008061 7C 1dx2y2 -0.007203 0.008855 0.019549 0.027410 0.003095 -0.004433 7C 1dxy 0.003935 0.001748 -0.019902 0.035859 0.007321 0.040352 7C 2dz2 -0.409100 -0.283936 0.321081 0.320236 0.081040 -0.132157 7C 2dxz -0.000840 0.148014 -0.111920 0.236769 0.022961 0.121527 7C 2dyz -0.252289 0.067508 -0.175125 -0.115452 0.009587 -0.010843 7C 2dx2y2 0.352665 0.145829 -0.354538 -0.405774 0.041606 -0.052400 7C 2dxy 0.171376 0.092934 -0.207023 -0.104933 0.007055 0.029743 7C 1f0 0.000139 -0.027790 -0.010771 -0.022817 0.045022 0.017611 7C 1f+1 0.000640 0.017774 -0.046288 -0.052628 0.021431 0.006023 7C 1f-1 0.011930 -0.015903 -0.012518 -0.003510 -0.020504 -0.003604 7C 1f+2 -0.010724 0.007170 0.007537 0.003468 0.045579 -0.000892 7C 1f-2 0.005737 0.024711 -0.020894 0.002680 -0.014530 0.021016 7C 1f+3 -0.006238 -0.007111 0.001582 0.001375 0.004469 -0.030846 7C 1f-3 -0.011445 0.005010 -0.006191 -0.049953 -0.017985 -0.014310 8C 1s -0.001532 -0.002735 0.000359 0.001284 0.000759 0.000612 8C 2s -0.007289 -0.016127 -0.000690 -0.003105 -0.003774 0.001001 8C 3s 0.041870 0.163611 -0.027064 0.083797 0.048835 -0.039243 8C 4s 0.189636 -0.345029 0.210886 -0.467762 -0.119335 0.155126 8C 5s 0.144557 2.548730 1.345994 0.533964 1.518380 0.015822 8C 1pz 0.017685 0.026339 0.049002 0.090946 -0.040921 -0.051398 8C 1px -0.070783 0.075524 0.044538 -0.116976 -0.073661 -0.148908 8C 1py 0.030292 0.080215 0.016867 -0.051693 -0.077741 -0.128959 8C 2pz -0.202063 0.063269 -0.259529 -0.016817 0.131422 0.129860 8C 2px 0.131710 -0.166776 -0.154300 0.424887 0.209644 0.317737 8C 2py 0.110011 -0.300959 0.030645 -0.323972 -0.002561 0.292928 8C 3pz -0.149370 -0.255662 -0.257053 0.002965 -0.309522 -0.061439 8C 3px 0.006706 -0.173478 -0.083513 -0.112646 -0.203366 -0.118046 8C 3py -0.006488 0.638565 0.294742 0.042803 0.267186 -0.038041 8C 1dz2 -0.006357 0.030831 0.010453 0.000263 0.001550 -0.012597 8C 1dxz 0.003978 -0.055825 0.033052 0.015414 -0.000504 -0.001767 8C 1dyz -0.003520 -0.036373 -0.018995 -0.015113 -0.016786 0.008069 8C 1dx2y2 0.004658 0.004579 0.060445 0.009888 0.018826 -0.013157 8C 1dxy 0.001309 0.059880 -0.004711 -0.006000 0.005811 -0.003182 8C 2dz2 0.028665 -0.102192 0.030541 0.112573 -0.022243 -0.020506 8C 2dxz -0.029098 0.340694 -0.072605 -0.219692 -0.145623 -0.240977 8C 2dyz -0.113834 0.195179 -0.030728 -0.023162 0.080185 -0.067364 8C 2dx2y2 -0.068066 0.113591 -0.163135 -0.005674 -0.163747 -0.157941 8C 2dxy 0.008995 -0.225606 -0.070236 0.166941 -0.022069 0.074941 8C 1f0 -0.000414 -0.083187 -0.039062 -0.056708 -0.040811 0.011368 8C 1f+1 0.008352 -0.053866 -0.011954 -0.013524 -0.022628 -0.004669 8C 1f-1 -0.003563 -0.017978 0.016646 -0.028089 -0.029434 -0.031545 8C 1f+2 0.021860 0.076605 0.012362 0.039163 0.044401 0.005263 8C 1f-2 0.007789 0.056381 0.021749 0.036721 0.040686 0.013586 8C 1f+3 -0.008322 0.029240 -0.012541 0.011455 0.021672 0.017711 8C 1f-3 -0.013810 0.031063 -0.018785 -0.024647 -0.011166 -0.001763 9C 1s -0.001829 0.000454 -0.001054 0.000656 -0.001917 -0.000479 9C 2s -0.002099 0.002147 0.000163 0.008358 -0.012115 -0.002455 9C 3s -0.066954 -0.027284 -0.029974 -0.111920 0.129562 -0.004707 9C 4s 0.595469 0.072433 0.101075 0.241548 -0.322348 0.115852 9C 5s 1.097971 0.755549 -1.318911 -1.590415 1.842870 -0.409140 9C 1pz -0.039987 -0.008612 0.047630 0.048954 -0.040322 0.000842 9C 1px 0.078382 -0.043700 -0.023319 0.040858 0.032064 -0.027753 9C 1py 0.008017 0.054685 -0.070637 -0.059796 0.023923 0.038981 9C 2pz -0.364044 -0.060735 -0.169294 -0.199842 0.268667 -0.003275 9C 2px -0.293875 0.100606 0.000769 -0.109391 -0.076275 0.120475 9C 2py -0.339846 -0.154991 0.085792 0.112827 0.004217 -0.122619 9C 3pz -0.298383 -0.205140 0.333205 0.410034 -0.383725 0.118679 9C 3px 0.042774 -0.080775 0.040171 -0.121279 -0.117621 -0.011405 9C 3py -0.192620 -0.011322 0.109850 0.175867 -0.301151 0.056546 9C 1dz2 -0.008215 0.027326 -0.011827 0.008838 -0.036099 -0.008258 9C 1dxz 0.005538 -0.038612 0.037346 0.032802 -0.043157 0.003742 9C 1dyz -0.009717 0.005199 -0.009378 -0.012690 0.011834 0.004297 9C 1dx2y2 0.003737 0.020542 -0.004483 -0.024519 -0.012153 -0.029299 9C 1dxy 0.003453 -0.041149 0.013376 0.007862 0.012299 0.012218 9C 2dz2 0.063737 -0.094816 0.113551 0.064242 0.001656 0.000398 9C 2dxz 0.157624 0.096975 -0.176297 -0.052319 0.172013 -0.052592 9C 2dyz 0.137944 0.001801 0.070465 -0.025306 -0.058312 0.039855 9C 2dx2y2 -0.084072 -0.150076 0.128460 0.097453 0.022102 0.003514 9C 2dxy 0.105723 0.154242 -0.137634 -0.064965 -0.028283 -0.069931 9C 1f0 0.004647 -0.025012 0.000803 0.024670 -0.001144 0.035791 9C 1f+1 -0.000984 0.007372 -0.004546 0.007161 -0.009756 0.005896 9C 1f-1 -0.021695 0.003679 0.003568 -0.027742 0.017452 -0.024041 9C 1f+2 -0.018445 0.003791 -0.017647 -0.051269 0.074053 -0.006591 9C 1f-2 0.011272 0.023027 -0.003361 0.023058 -0.021576 -0.001814 9C 1f+3 -0.031361 -0.002390 -0.041615 -0.054343 0.081428 0.015382 9C 1f-3 -0.001959 -0.010260 -0.002277 0.010238 -0.016510 0.016473 10H 1s -0.085585 -0.068000 0.092529 -0.193021 -0.174607 -0.069729 10H 2s 0.119968 -0.113557 -0.000311 0.272538 0.331185 0.091729 10H 3s -0.014420 0.004727 0.010494 -0.112365 0.015764 -0.070140 10H 1pz -0.028277 -0.053604 0.030050 -0.047643 0.016331 0.013679 10H 1px -0.062664 0.025644 -0.049907 -0.052634 -0.001225 0.007891 10H 1py -0.041416 0.025361 -0.061797 0.011952 0.007221 -0.003576 11H 1s 0.009057 0.013347 -0.009413 -0.003455 0.018586 0.004301 11H 2s 0.066282 0.023328 -0.153256 0.172043 0.194730 -0.098886 11H 3s -0.055884 -0.011965 -0.110355 0.180168 0.193072 0.010600 11H 1pz 0.088065 0.012639 0.022985 0.028053 0.002992 -0.050792 11H 1px -0.041819 -0.001285 -0.056033 -0.011002 0.054239 -0.021705 11H 1py 0.012145 0.041761 -0.020556 0.008428 -0.035567 -0.025620 12H 1s -0.011493 0.081058 0.051893 -0.023327 -0.141986 0.111083 12H 2s 0.041204 0.020215 -0.232358 0.097120 0.191252 -0.127220 12H 3s -0.067125 0.183969 -0.161673 0.199117 0.022870 0.093622 12H 1pz 0.062424 -0.061951 0.133559 -0.073185 -0.030386 0.022589 12H 1px -0.048821 -0.011259 -0.031133 -0.057940 0.036901 0.005350 12H 1py 0.039375 0.042177 -0.021227 0.016558 -0.037490 -0.014555 13H 1s 0.042229 -0.283250 -0.048298 0.112586 -0.144246 0.029251 13H 2s -0.086816 0.308758 0.124343 -0.242074 0.260060 -0.116482 13H 3s 0.035697 -0.071264 0.032063 -0.122061 0.025936 -0.058795 13H 1pz 0.003701 0.037994 0.011226 -0.000606 -0.053023 0.075995 13H 1px 0.055409 0.096640 -0.038882 0.133426 -0.092849 0.146920 13H 1py -0.063230 0.012234 0.039005 -0.045773 -0.011223 0.028952 14H 1s 0.070582 -0.061323 -0.136017 0.078254 -0.064459 -0.046663 14H 2s -0.150196 0.339898 0.020775 -0.167438 0.121816 0.057284 14H 3s 0.052746 0.264462 -0.017191 0.027772 -0.022121 0.132263 14H 1pz -0.057135 -0.045431 -0.014654 -0.098049 0.003687 -0.055458 14H 1px 0.045711 0.094045 -0.046896 0.051155 -0.024749 0.060151 14H 1py -0.018797 0.137960 0.033256 0.044985 -0.077475 0.164747 15H 1s 0.029708 -0.014375 0.062597 0.053162 -0.042789 0.063383 15H 2s -0.179047 0.219638 0.130077 -0.203720 0.252538 -0.022864 15H 3s -0.140806 0.154680 0.180184 -0.003439 0.161311 0.024261 15H 1pz 0.000494 -0.035762 -0.018822 -0.036869 -0.111095 0.059822 15H 1px 0.049849 0.084174 0.003021 0.078333 -0.088116 0.151304 15H 1py 0.033658 0.032737 -0.056545 0.099171 -0.020006 0.020869 16H 1s 0.205011 -0.049148 0.094635 0.042572 0.075016 -0.023645 16H 2s -0.591450 0.107061 -0.342271 -0.169453 -0.265907 0.096678 16H 3s 0.200061 0.026949 0.116927 0.133786 0.047191 -0.069222 16H 1pz -0.248851 0.023377 -0.109589 -0.158972 -0.048479 0.049886 16H 1px 0.194824 -0.169662 -0.020372 -0.270330 0.113155 0.037013 16H 1py 0.012436 -0.159120 -0.082427 -0.250091 0.011026 0.051501 17H 1s 0.124221 -0.082118 0.086798 -0.119082 0.116628 0.027342 17H 2s -0.351067 0.266322 -0.221009 0.356715 -0.433522 -0.117795 17H 3s 0.073231 -0.027965 0.040700 -0.268213 0.229756 0.017505 17H 1pz -0.098588 0.003715 -0.080575 -0.188452 0.179280 0.065432 17H 1px 0.315385 -0.190360 0.156958 -0.011202 -0.036719 0.051833 17H 1py 0.193094 -0.068345 0.103255 0.215181 -0.226530 -0.066495 18H 1s 0.118364 0.076793 -0.069268 -0.129865 -0.114424 0.029565 18H 2s -0.337469 -0.252103 0.171198 0.383345 0.422950 -0.130831 18H 3s 0.093271 0.019926 -0.004142 -0.269668 -0.223921 0.025850 18H 1pz 0.072908 0.010988 -0.103415 0.178706 0.174401 -0.077085 18H 1px -0.262139 -0.186771 0.152344 0.037988 -0.032847 -0.046671 18H 1py -0.146703 -0.077476 0.127652 -0.190260 -0.214620 0.078388 19H 1s 0.172445 0.050157 -0.095782 0.027376 -0.075649 -0.024970 19H 2s -0.478646 -0.111467 0.350188 -0.116354 0.269787 0.103599 19H 3s 0.119939 -0.025887 -0.127176 0.115250 -0.058308 -0.076187 19H 1pz 0.219911 0.031793 -0.122834 0.138761 -0.051230 -0.051290 19H 1px -0.276868 -0.161958 -0.060976 0.266484 0.096942 -0.049347 19H 1py -0.114915 -0.154022 -0.121446 0.239623 -0.003656 -0.066226 20H 1s 0.014490 0.015049 -0.073333 0.042772 0.044572 0.059927 20H 2s -0.130259 -0.230319 -0.099947 -0.216069 -0.246271 -0.026973 20H 3s -0.132781 -0.154407 -0.186700 -0.027977 -0.154890 0.013442 20H 1pz 0.013440 -0.028347 -0.023012 0.033310 -0.110112 -0.060239 20H 1px -0.047663 0.081803 0.018039 -0.082371 -0.086590 -0.144710 20H 1py -0.031457 0.026342 -0.040856 -0.108815 -0.018770 -0.020623 21H 1s 0.043504 0.068134 0.122593 0.097512 0.065827 -0.042006 21H 2s -0.115053 -0.348709 0.005964 -0.162314 -0.125264 0.049895 21H 3s 0.046345 -0.261171 0.002503 0.044937 0.029892 0.122130 21H 1pz 0.065171 -0.037114 -0.032131 0.098135 0.004734 0.052230 21H 1px -0.042251 0.088344 -0.038347 -0.062000 -0.023911 -0.057094 21H 1py 0.014744 0.141520 0.045045 -0.045654 -0.077811 -0.156852 22H 1s 0.003764 0.286604 0.037584 0.108587 0.133439 0.033962 22H 2s 0.004384 -0.319719 -0.094153 -0.247082 -0.245767 -0.118793 22H 3s 0.037924 0.065319 -0.006884 -0.126815 -0.028337 -0.055966 22H 1pz -0.006598 0.041656 0.013150 -0.000771 -0.053180 -0.072854 22H 1px -0.049824 0.089855 -0.015243 -0.144281 -0.091035 -0.140177 22H 1py 0.072558 0.017841 0.032453 0.052308 -0.011565 -0.026983 23H 1s -0.025155 -0.085120 -0.054739 -0.023423 0.144008 0.100906 23H 2s 0.084858 -0.009790 0.221287 0.131956 -0.188555 -0.106504 23H 3s -0.103633 -0.185301 0.130678 0.226570 -0.039489 0.098949 23H 1pz -0.073542 -0.061843 0.128115 0.093892 -0.045938 -0.016160 23H 1px 0.033537 -0.009523 -0.034721 0.058604 0.036012 -0.010142 23H 1py -0.046072 0.039637 -0.020345 -0.025728 -0.038538 0.015863 24H 1s -0.015958 -0.014456 0.012456 -0.005086 -0.025116 0.003983 24H 2s 0.056460 -0.011568 0.129392 0.181999 -0.186493 -0.087237 24H 3s -0.099865 0.019385 0.079825 0.176781 -0.197642 0.024548 24H 1pz -0.075821 0.007922 0.022022 -0.026417 0.000934 0.054426 24H 1px 0.040982 -0.000742 -0.057363 0.008384 0.058101 0.016504 24H 1py -0.014848 0.042207 -0.027365 -0.019050 -0.021650 0.026823 25H 1s -0.070601 0.064298 -0.060862 -0.201417 0.174009 -0.079015 25H 2s 0.139526 0.116641 -0.042561 0.261325 -0.329679 0.109582 25H 3s -0.004921 -0.011982 0.011196 -0.112664 -0.015704 -0.067144 25H 1pz 0.011510 -0.050803 0.026106 0.055514 0.013623 -0.015504 25H 1px 0.057127 0.027867 -0.054388 0.048668 0.001426 -0.010776 25H 1py 0.038304 0.027215 -0.063035 -0.022277 0.018103 -0.000182 26O 1s -0.000265 -0.004097 0.006681 -0.000511 -0.000385 0.000633 26O 2s -0.001054 -0.010110 0.017688 -0.002087 -0.002058 0.000654 26O 3s 0.016701 0.000382 -0.016076 0.002523 0.030010 0.021426 26O 4s -0.155531 0.328426 -0.444974 -0.049334 -0.118436 -0.170454 26O 5s -0.283447 0.086280 -0.544626 1.550694 -0.325563 0.016783 26O 1pz -0.002132 0.014106 -0.010546 -0.034786 -0.052827 -0.020275 26O 1px -0.022038 0.008472 -0.009890 -0.082751 -0.033305 -0.023680 26O 1py -0.003886 -0.033492 0.006968 -0.072831 -0.021257 -0.033412 26O 2pz 0.048613 -0.022156 0.039495 0.008632 0.056203 0.047530 26O 2px 0.141309 -0.153416 0.283198 -0.023960 0.114233 0.153332 26O 2py 0.091566 -0.035038 0.126179 0.015538 0.060684 0.108378 26O 3pz -0.094721 -0.087229 0.053081 -0.347697 0.179481 -0.116924 26O 3px -0.037154 -0.159607 0.552839 -1.064945 0.223082 -0.211664 26O 3py -0.117431 -0.175754 0.339171 -0.638786 0.019050 -0.154181 26O 1dz2 -0.004103 -0.000762 -0.001762 -0.005472 0.002081 0.000517 26O 1dxz 0.000521 -0.004565 0.001763 -0.003340 0.000894 -0.001219 26O 1dyz -0.002974 -0.003112 0.000536 -0.000911 -0.003814 -0.003588 26O 1dx2y2 0.004261 -0.000942 0.000872 0.006707 0.004928 0.009796 26O 1dxy 0.001780 -0.003431 -0.000185 0.004267 0.002345 0.001778 26O 2dz2 -0.014452 -0.107246 0.107214 -0.267105 0.018406 0.014603 26O 2dxz -0.031628 -0.081555 0.100470 0.076094 -0.037973 -0.018903 26O 2dyz 0.005636 -0.099899 0.015151 0.098776 -0.022648 -0.026741 26O 2dx2y2 0.097787 -0.011789 -0.004522 0.236913 0.023639 0.134725 26O 2dxy 0.017420 -0.007576 -0.099518 0.329232 0.087290 0.062263 26O 1f0 0.001795 0.001516 -0.003262 -0.001520 -0.003014 -0.006136 26O 1f+1 -0.000832 0.002035 -0.001686 -0.000835 -0.003296 -0.002779 26O 1f-1 0.001843 -0.001476 0.000281 -0.001423 0.001350 0.000380 26O 1f+2 -0.003075 -0.001541 0.001216 -0.000574 -0.003503 -0.003005 26O 1f-2 0.003092 -0.001510 0.004139 0.006684 0.003853 0.007231 26O 1f+3 -0.001414 0.002829 0.000218 0.001751 -0.002992 0.000029 26O 1f-3 -0.003074 0.007291 -0.012511 -0.001200 -0.005526 -0.007297 27O 1s -0.000210 -0.005623 0.001282 0.001199 -0.001196 0.001462 27O 2s -0.001619 -0.014360 0.001713 0.003911 -0.003868 0.003992 27O 3s 0.036861 0.011892 0.032952 -0.024875 0.013452 -0.017171 27O 4s -0.183633 0.430802 -0.330057 0.102392 0.021915 0.010422 27O 5s -0.180800 -0.358776 0.728085 0.242823 0.351546 0.306745 27O 1pz 0.027637 -0.073908 0.031128 -0.016721 -0.006096 -0.017042 27O 1px 0.030219 -0.025080 -0.058391 -0.012987 -0.016150 -0.033287 27O 1py -0.058178 0.003101 0.045667 -0.005894 0.066266 -0.054661 27O 2pz -0.012790 0.083959 -0.037853 -0.012016 0.021140 -0.018358 27O 2px 0.072193 -0.141783 0.157006 -0.082048 -0.034367 -0.021093 27O 2py 0.004694 0.001051 -0.031222 0.050771 -0.011741 0.061898 27O 3pz 0.162459 -0.146256 -0.120014 0.096373 -0.111835 0.103568 27O 3px 0.135662 -0.029318 -0.437978 -0.084664 -0.389561 -0.160988 27O 3py -0.395323 -0.151580 0.021549 -0.203736 0.188135 -0.248458 27O 1dz2 -0.000072 -0.002047 -0.006833 -0.000356 -0.007180 0.003373 27O 1dxz 0.002359 -0.003337 -0.001761 0.001301 -0.003176 0.003474 27O 1dyz -0.002973 0.004164 0.002545 -0.003115 0.002877 -0.007350 27O 1dx2y2 -0.004017 -0.001101 0.000909 -0.006786 0.000348 0.002222 27O 1dxy -0.000029 0.006886 -0.001996 0.000274 -0.002216 0.001686 27O 2dz2 0.052694 0.008871 -0.171890 0.005216 -0.193756 0.084392 27O 2dxz -0.051090 0.071916 0.047383 0.063091 -0.072681 0.065205 27O 2dyz -0.109123 0.055154 -0.038072 -0.013093 0.054112 -0.150685 27O 2dx2y2 -0.133961 0.136136 0.132763 -0.015409 0.005517 0.178896 27O 2dxy 0.255841 0.211161 -0.146046 0.057312 -0.085292 0.084301 27O 1f0 -0.001242 -0.000628 0.000490 0.000040 0.002358 0.000571 27O 1f+1 -0.001450 0.006637 -0.005584 0.001045 -0.000117 0.001726 27O 1f-1 0.001363 -0.002087 0.000322 -0.001688 -0.002501 0.004792 27O 1f+2 0.001632 -0.003299 -0.001688 0.001379 0.001310 -0.000874 27O 1f-2 0.000962 -0.003418 -0.003243 0.002915 -0.001398 0.001353 27O 1f+3 -0.001240 -0.000030 -0.006020 -0.001399 0.001397 -0.004993 27O 1f-3 0.001422 0.000117 0.008483 0.004689 -0.003347 0.004373 28O 1s -0.001422 0.002333 0.000526 -0.001102 -0.002693 -0.002207 28O 2s -0.004662 0.004482 0.002518 -0.002633 -0.006696 -0.005380 28O 3s 0.024348 0.028224 -0.017288 -0.012229 0.012094 0.003070 28O 4s -0.024458 -0.413565 0.127733 0.082731 0.067129 0.106293 28O 5s 0.059273 1.108290 -1.291491 1.239872 0.261261 0.532232 28O 1pz 0.090215 -0.039576 0.070321 -0.035913 -0.010186 -0.003602 28O 1px 0.019139 0.045670 -0.016901 0.039171 -0.008451 0.000483 28O 1py 0.045693 0.030508 0.005367 0.016063 -0.031897 0.013691 28O 2pz -0.088985 0.069883 0.049911 -0.149307 -0.034361 -0.124843 28O 2px 0.028030 -0.117901 -0.026690 0.107332 0.044237 0.128921 28O 2py -0.025755 -0.056026 0.021717 -0.066000 0.053859 -0.067426 28O 3pz 0.100986 -0.329098 0.654189 -0.320392 0.079151 0.068746 28O 3px 0.216494 0.373642 -0.561856 0.413279 0.106888 0.208431 28O 3py 0.094255 0.219680 0.063534 0.069550 -0.256974 0.098390 28O 1dz2 0.004949 -0.001933 -0.003964 -0.000039 0.004259 -0.001874 28O 1dxz 0.004061 -0.004391 0.003914 0.001203 0.004674 0.004227 28O 1dyz 0.004456 0.003321 -0.000666 0.000202 -0.008858 0.002061 28O 1dx2y2 -0.001598 -0.002546 -0.003767 -0.001513 0.006008 -0.007984 28O 1dxy 0.001024 0.000481 0.000668 0.000835 -0.001568 -0.001689 28O 2dz2 -0.080613 0.108874 -0.199776 0.083017 0.050751 -0.019769 28O 2dxz 0.099628 -0.222010 0.236275 -0.216610 0.079168 0.026161 28O 2dyz 0.051838 0.120946 -0.086214 0.024097 -0.015712 -0.008282 28O 2dx2y2 0.066762 0.009733 -0.118283 0.045124 0.073960 -0.031597 28O 2dxy 0.108784 0.066945 -0.020186 0.004662 -0.107378 -0.023391 28O 1f0 -0.002477 0.002595 -0.000092 0.000116 -0.005500 0.003984 28O 1f+1 0.000338 -0.005985 -0.001531 0.006191 0.003343 0.004571 28O 1f-1 -0.005667 0.003498 0.001641 -0.004553 0.001574 -0.007291 28O 1f+2 -0.000745 0.006939 0.000728 -0.002706 -0.006701 -0.004488 28O 1f-2 0.000424 -0.002183 0.000029 0.003240 0.001511 0.005996 28O 1f+3 -0.001902 0.003910 0.000310 -0.001570 -0.001048 -0.001953 28O 1f-3 0.000491 -0.002793 -0.002154 0.001473 0.002753 -0.000173 29O 1s 0.004535 -0.005643 0.006782 0.000841 0.006252 0.000600 29O 2s 0.018910 -0.018838 0.022680 0.001751 0.021573 0.002268 29O 3s -0.202953 0.122473 -0.156289 0.004675 -0.172119 -0.022728 29O 4s 0.594240 -0.220263 0.254253 -0.062701 0.298396 0.066725 29O 5s -0.162144 0.053062 0.180263 -0.034677 0.353591 -0.090552 29O 1pz 0.055988 -0.008203 -0.000440 0.014792 0.001286 -0.004280 29O 1px -0.087409 0.047529 -0.035492 0.041812 -0.018355 -0.008102 29O 1py 0.030050 0.004110 0.033194 -0.015835 0.040580 -0.008747 29O 2pz -0.223549 -0.061236 -0.114966 -0.349760 0.056811 0.112399 29O 2px 0.068118 -0.068977 0.056842 -0.129784 0.187451 0.068747 29O 2py -0.169163 0.038418 -0.097645 0.065866 -0.164031 -0.014930 29O 3pz 0.084279 0.012759 0.029564 0.232346 -0.024066 -0.038644 29O 3px 0.008891 0.001256 -0.110773 0.088969 -0.231909 -0.005744 29O 3py -0.183345 0.167413 -0.138834 0.020866 -0.076732 0.014538 29O 1dz2 -0.000450 -0.003138 -0.001465 -0.006545 -0.000881 0.000105 29O 1dxz 0.004598 0.000691 0.000576 0.002214 -0.003545 -0.002318 29O 1dyz -0.003027 -0.000345 -0.002346 -0.005724 0.001870 0.001970 29O 1dx2y2 -0.000275 0.000124 0.002073 0.004995 0.003556 0.000652 29O 1dxy 0.001622 -0.002312 -0.001836 -0.000610 0.002957 0.002745 29O 2dz2 0.065444 0.007146 0.076742 0.111922 -0.083219 -0.024644 29O 2dxz 0.097422 -0.117835 -0.061740 -0.281533 0.104700 0.028715 29O 2dyz -0.094141 0.009615 -0.093145 -0.157886 0.087659 0.006070 29O 2dx2y2 -0.350125 0.232383 -0.103607 0.002729 0.200751 0.006150 29O 2dxy 0.133723 -0.083181 0.037474 -0.059616 0.053905 0.015114 29O 1f0 -0.024203 0.007568 -0.010728 -0.000462 -0.011019 0.000481 29O 1f+1 0.007960 -0.007228 0.001917 -0.009427 0.006722 0.003027 29O 1f-1 -0.021963 -0.000966 -0.012356 -0.012200 -0.012163 0.003793 29O 1f+2 0.014177 -0.003369 0.006841 0.005596 -0.000157 -0.002177 29O 1f-2 -0.003216 0.007733 -0.001980 0.021367 -0.016450 -0.008711 29O 1f+3 0.000859 -0.002920 0.000021 -0.008825 0.003931 0.002768 29O 1f-3 -0.001229 -0.002153 0.002562 -0.011812 0.006798 0.002576 30O 1s -0.000333 -0.000353 -0.003771 -0.002335 -0.003950 -0.002491 30O 2s -0.000876 -0.002188 -0.009621 -0.005831 -0.011107 -0.006002 30O 3s 0.014094 0.045324 0.006477 0.007068 0.028735 -0.000850 30O 4s -0.113189 -0.380603 0.252280 0.093600 0.140089 0.072407 30O 5s 0.012228 0.812925 0.358373 0.135779 0.373939 0.734299 30O 1pz 0.038933 0.000010 -0.021733 -0.009579 -0.007497 0.001657 30O 1px -0.003607 0.003042 0.002860 -0.046680 0.000759 0.002093 30O 1py -0.015031 0.110378 -0.022377 0.072779 -0.035050 0.078113 30O 2pz -0.004326 0.058222 -0.022599 -0.006798 -0.065990 -0.021236 30O 2px -0.024758 -0.102208 0.103536 0.044012 0.093700 0.071344 30O 2py -0.033124 -0.117556 0.108445 -0.021808 0.093905 0.007860 30O 3pz 0.254304 -0.039836 -0.502349 -0.223826 -0.347705 -0.219237 30O 3px 0.088941 0.154525 0.150136 -0.010193 0.240881 0.262817 30O 3py -0.316268 0.257404 0.118341 0.275321 0.000655 0.638847 30O 1dz2 0.003340 -0.000739 -0.008064 0.000304 -0.001427 -0.003205 30O 1dxz 0.001062 -0.004271 -0.003754 -0.000252 -0.001531 -0.001221 30O 1dyz 0.001927 0.003753 0.008738 0.005542 0.000625 0.005925 30O 1dx2y2 0.000630 -0.000301 -0.003213 0.003932 -0.003522 0.000316 30O 1dxy -0.000988 0.005431 -0.002398 0.002175 -0.001963 0.005698 30O 2dz2 -0.022474 -0.108048 0.003348 0.000391 0.071482 -0.143427 30O 2dxz 0.086621 -0.031521 -0.161727 -0.013377 -0.118316 0.007714 30O 2dyz 0.111797 -0.148632 0.074240 0.035272 -0.045264 -0.047342 30O 2dx2y2 0.067705 -0.182668 -0.008951 -0.121657 0.025773 -0.079209 30O 2dxy -0.166668 0.136076 0.014481 0.105817 -0.098270 0.282344 30O 1f0 -0.001961 -0.006328 0.006406 -0.000514 0.002947 0.004052 30O 1f+1 -0.000524 0.001526 0.002157 -0.000301 0.001907 -0.000175 30O 1f-1 0.001407 -0.001871 -0.005172 -0.000162 0.001057 -0.003293 30O 1f+2 0.000260 -0.000333 -0.000781 -0.002398 0.001572 -0.001546 30O 1f-2 -0.003873 0.000941 -0.003846 -0.003361 -0.005640 -0.005512 30O 1f+3 0.001345 0.002220 0.001157 0.000505 0.002645 0.003045 30O 1f-3 -0.003456 0.001384 0.002538 -0.004060 0.001485 -0.002773 31O 1s -0.000042 0.000259 0.004264 -0.001795 0.003795 -0.002377 31O 2s -0.000152 0.001923 0.010836 -0.004477 0.010733 -0.005689 31O 3s 0.020917 -0.044289 -0.007385 0.008019 -0.028808 -0.001772 31O 4s -0.163268 0.379481 -0.271713 0.040459 -0.133822 0.074389 31O 5s -0.490939 -0.775986 -0.435663 0.082362 -0.276109 0.679531 31O 1pz -0.034373 -0.001579 -0.022719 0.005816 -0.007850 -0.002292 31O 1px 0.021556 0.005321 -0.003355 0.047631 -0.002636 -0.001941 31O 1py 0.006228 0.108008 -0.008813 -0.079967 -0.034880 -0.074062 31O 2pz -0.047935 0.062801 -0.030419 0.000264 -0.054321 0.021394 31O 2px 0.065941 -0.104934 0.116784 -0.023299 0.084172 -0.070192 31O 2py 0.088780 -0.118553 0.111565 0.044596 0.081109 -0.007404 31O 3pz -0.382650 -0.032490 -0.541709 0.131689 -0.342259 0.196851 31O 3px 0.162720 0.142233 0.167100 0.044972 0.200049 -0.248305 31O 3py 0.517430 0.255780 0.179292 -0.248772 0.003364 -0.607046 31O 1dz2 0.002602 0.000984 0.007846 0.001575 0.001819 -0.002980 31O 1dxz 0.000467 0.004357 0.003565 0.000269 0.001897 -0.001012 31O 1dyz 0.003617 -0.003596 -0.009661 0.004551 -0.000637 0.005543 31O 1dx2y2 0.000253 0.000579 0.002763 0.004478 0.003156 0.000298 31O 1dxy -0.000174 -0.005566 0.002105 0.002708 0.001594 0.005531 31O 2dz2 -0.005853 0.109997 -0.001219 -0.002430 -0.070214 -0.137453 31O 2dxz 0.125902 0.030488 0.162718 0.016710 0.115484 0.013488 31O 2dyz 0.160503 0.150980 -0.075351 0.023662 0.042683 -0.045300 31O 2dx2y2 0.036792 0.179144 0.030494 -0.125865 -0.021499 -0.072155 31O 2dxy -0.212734 -0.140458 -0.039627 0.103778 0.098845 0.270271 31O 1f0 0.003932 -0.006311 0.006823 0.001724 0.002332 -0.003932 31O 1f+1 0.000127 0.001546 0.002004 0.000512 0.002045 0.000240 31O 1f-1 -0.000204 -0.002111 -0.004963 -0.000616 0.000635 0.003085 31O 1f+2 -0.000082 -0.000286 -0.000935 0.002413 0.001247 0.001569 31O 1f-2 0.002778 0.001232 -0.004807 0.002829 -0.004978 0.005416 31O 1f+3 -0.002232 0.002314 0.001386 -0.000449 0.002552 -0.003004 31O 1f-3 0.002046 0.001866 0.001682 0.004464 0.001706 0.002716 32O 1s 0.003376 0.005654 -0.006804 -0.000220 -0.006204 0.000643 32O 2s 0.014886 0.018818 -0.022567 -0.001774 -0.021393 0.002430 32O 3s -0.169448 -0.121182 0.152687 0.028414 0.170660 -0.024213 32O 4s 0.534427 0.214618 -0.239104 -0.100607 -0.293953 0.069503 32O 5s -0.232625 -0.053417 -0.170286 -0.058697 -0.360048 -0.086903 32O 1pz -0.047702 -0.008941 -0.001268 -0.014760 -0.000444 0.004014 32O 1px 0.085665 0.045549 -0.028392 -0.046739 -0.018306 0.008580 32O 1py -0.020196 0.005164 0.030461 0.019832 0.041568 0.009665 32O 2pz 0.143858 -0.050244 -0.152543 0.331304 0.050582 -0.124368 32O 2px -0.058630 -0.062589 0.042047 0.134833 0.184710 -0.074244 32O 2py 0.143455 0.033057 -0.090434 -0.070504 -0.161331 0.012892 32O 3pz -0.014067 0.004472 0.060534 -0.225268 -0.013718 0.042785 32O 3px -0.041421 -0.003919 -0.096606 -0.102383 -0.232779 0.009380 32O 3py 0.182143 0.167949 -0.129764 -0.048992 -0.073264 -0.012915 32O 1dz2 0.001499 0.002943 0.002258 -0.005926 0.001179 0.000135 32O 1dxz 0.003847 -0.000630 -0.000803 0.002206 0.003526 -0.002568 32O 1dyz -0.002440 0.000260 0.003047 -0.005597 -0.001663 0.002186 32O 1dx2y2 -0.001521 0.000002 -0.002976 0.004851 -0.003536 0.000524 32O 1dxy 0.001239 0.002231 0.001763 -0.000193 -0.002841 0.002930 32O 2dz2 0.011680 -0.004415 -0.094005 0.102055 0.077025 -0.034015 32O 2dxz 0.197109 0.109639 0.104992 -0.269895 -0.087736 0.043372 32O 2dyz -0.020459 -0.016772 0.114429 -0.138784 -0.079950 0.016003 32O 2dx2y2 -0.353575 -0.234048 0.093485 0.029741 -0.198033 0.011294 32O 2dxy 0.140849 0.079971 -0.022418 -0.071783 -0.054705 0.019684 32O 1f0 0.020297 0.007461 -0.009627 -0.001504 -0.010176 -0.000249 32O 1f+1 -0.009377 -0.007176 0.000773 0.010285 0.007092 -0.003653 32O 1f-1 0.016793 -0.000385 -0.013846 0.009951 -0.013196 -0.004006 32O 1f+2 -0.012149 -0.003592 0.007790 -0.004283 0.000889 0.002436 32O 1f-2 0.003494 0.006599 0.000962 -0.021396 -0.015645 0.009460 32O 1f+3 -0.001776 -0.002373 -0.001109 0.008006 0.003080 -0.002719 32O 1f-3 0.000788 -0.001584 0.000769 0.012213 0.006596 -0.002835 33O 1s -0.000349 -0.002279 -0.000313 -0.000858 0.002832 -0.002417 33O 2s -0.001504 -0.004348 -0.002014 -0.002226 0.007048 -0.005912 33O 3s 0.014004 -0.029486 0.019262 -0.009413 -0.012643 0.003833 33O 4s -0.022233 0.417118 -0.142319 0.041311 -0.070890 0.113229 33O 5s -0.337270 -1.080432 1.073725 1.398212 -0.261153 0.558649 33O 1pz -0.091598 -0.039409 0.062812 0.045533 -0.013563 0.006745 33O 1px -0.004155 0.044382 -0.011904 -0.042550 -0.009978 0.000990 33O 1py -0.035134 0.029407 0.007525 -0.018435 -0.031353 -0.010009 33O 2pz 0.053308 0.073999 0.024321 0.145622 -0.034215 0.127514 33O 2px -0.014963 -0.119945 -0.005725 -0.099378 0.045902 -0.133982 33O 2py 0.011538 -0.054572 0.008768 0.070877 0.055325 0.063688 33O 3pz -0.252640 -0.305311 0.602414 0.407260 0.061665 -0.050860 33O 3px 0.008971 0.356045 -0.485151 -0.475295 0.087543 -0.217808 33O 3py -0.157096 0.229932 0.069989 -0.088240 -0.250093 -0.083217 33O 1dz2 0.003271 0.002012 0.004251 0.000250 -0.004574 -0.001714 33O 1dxz 0.003621 0.004314 -0.004153 0.000218 -0.004571 0.004278 33O 1dyz 0.004883 -0.003141 0.000473 0.000811 0.009498 0.001560 33O 1dx2y2 -0.002240 0.002760 0.004222 -0.001377 -0.006099 -0.007604 33O 1dxy 0.000873 -0.000388 -0.000620 0.000855 0.001442 -0.001803 33O 2dz2 -0.110330 -0.104064 0.186854 0.114050 -0.063568 -0.013248 33O 2dxz 0.158278 0.210634 -0.204411 -0.254826 -0.071011 0.025574 33O 2dyz 0.033773 -0.115622 0.078867 0.037182 0.028427 -0.010377 33O 2dx2y2 0.025634 -0.003914 0.109700 0.054603 -0.065781 -0.027122 33O 2dxy 0.112638 -0.068777 0.027087 0.020036 0.098624 -0.027636 33O 1f0 0.001229 0.002605 0.000307 -0.000346 -0.005756 -0.003853 33O 1f+1 0.000002 -0.006022 -0.000438 -0.005872 0.003676 -0.004980 33O 1f-1 0.004423 0.003522 0.000704 0.004456 0.001654 0.007320 33O 1f+2 0.000669 0.006822 0.000235 0.002014 -0.007106 0.004954 33O 1f-2 0.000020 -0.002035 0.000750 -0.003055 0.001489 -0.006140 33O 1f+3 0.001167 0.003931 0.000165 0.001239 -0.001265 0.002082 33O 1f-3 -0.000063 -0.002759 -0.001972 -0.001458 0.002888 -0.000130 34O 1s -0.000146 0.005699 -0.001527 0.000829 0.001289 0.001535 34O 2s -0.001161 0.014565 -0.002456 0.003174 0.004021 0.004238 34O 3s 0.033021 -0.012015 -0.028722 -0.028443 -0.011762 -0.018479 34O 4s -0.158337 -0.433268 0.316012 0.160161 -0.041854 0.012389 34O 5s -0.423070 0.369703 -0.777971 0.108319 -0.311491 0.267820 34O 1pz -0.022581 -0.072983 0.026309 0.023986 -0.004676 0.016237 34O 1px -0.038034 -0.023991 -0.064056 0.005106 -0.011712 0.029491 34O 1py 0.050897 0.004316 0.044937 0.013715 0.064760 0.053186 34O 2pz -0.001364 0.083301 -0.037520 0.002505 0.018880 0.017990 34O 2px -0.084779 -0.142533 0.149922 0.105986 -0.049694 0.022088 34O 2py 0.016663 -0.000832 -0.024802 -0.054771 -0.008001 -0.060591 34O 3pz -0.123989 -0.151435 -0.108943 -0.110727 -0.108442 -0.105621 34O 3px -0.300933 -0.038886 -0.470881 0.005608 -0.353205 0.132616 34O 3py 0.456461 -0.124371 -0.004531 0.224667 0.183109 0.240966 34O 1dz2 -0.000228 0.001805 0.006945 0.000644 0.006809 0.003484 34O 1dxz 0.001447 0.003297 0.001661 0.001344 0.002792 0.003500 34O 1dyz -0.001423 -0.004147 -0.001972 -0.003319 -0.002759 -0.007341 34O 1dx2y2 -0.004445 0.000603 -0.000405 -0.007022 0.000290 0.002178 34O 1dxy 0.000598 -0.006895 0.001735 0.000942 0.002488 0.001549 34O 2dz2 0.076157 -0.012613 0.173316 0.033050 0.184563 0.088408 34O 2dxz -0.045648 -0.070015 -0.057702 0.055979 0.068752 0.058607 34O 2dyz -0.085402 -0.054132 0.043738 -0.007095 -0.058651 -0.146494 34O 2dx2y2 -0.170827 -0.144114 -0.145187 -0.033337 0.007122 0.164462 34O 2dxy 0.277855 -0.200873 0.136005 0.090185 0.087375 0.083017 34O 1f0 0.002383 -0.000496 0.000288 0.000250 0.002679 -0.000624 34O 1f+1 0.001538 0.006806 -0.005685 -0.002024 0.000454 -0.001837 34O 1f-1 -0.000830 -0.001896 0.000337 0.001762 -0.002778 -0.004717 34O 1f+2 -0.000594 -0.003354 -0.001553 -0.001478 0.001415 0.000718 34O 1f-2 0.000087 -0.003415 -0.003143 -0.003044 -0.000760 -0.001472 34O 1f+3 0.000917 0.000027 -0.006399 0.000504 0.001643 0.004679 34O 1f-3 -0.002097 -0.000051 0.009474 -0.003641 -0.003672 -0.003921 35O 1s -0.000322 0.003982 -0.006544 -0.001527 0.000338 0.000427 35O 2s -0.001137 0.009832 -0.017193 -0.004702 0.001964 0.000037 35O 3s 0.022378 -0.001115 0.015014 0.003721 -0.029852 0.023874 35O 4s -0.173000 -0.319238 0.450232 0.026553 0.115884 -0.166664 35O 5s -0.825616 -0.052363 0.308919 1.586726 0.320946 0.015868 35O 1pz -0.000184 0.015408 -0.016841 0.031066 -0.050408 0.021744 35O 1px -0.003021 0.009922 -0.023025 0.077001 -0.033791 0.025162 35O 1py -0.004059 -0.032498 -0.005413 0.074372 -0.022554 0.033675 35O 2pz -0.070368 -0.021811 0.041722 -0.002854 0.054676 -0.049221 35O 2px -0.181216 -0.146920 0.280389 0.068989 0.112674 -0.151596 35O 2py -0.115070 -0.032250 0.130901 0.003701 0.058760 -0.106629 35O 3pz 0.068273 -0.066418 -0.003019 0.365091 0.186229 0.104958 35O 3px -0.291142 -0.134665 0.383589 1.123080 0.219150 0.216601 35O 3py -0.085818 -0.153671 0.233362 0.675383 0.020033 0.149387 35O 1dz2 -0.004821 0.000593 0.002273 -0.005640 -0.001641 0.000539 35O 1dxz 0.000548 0.004498 -0.001353 -0.003804 -0.000519 -0.001222 35O 1dyz -0.003041 0.003115 -0.000179 -0.000844 0.003332 -0.003588 35O 1dx2y2 0.002413 0.000919 -0.002292 0.006040 -0.004515 0.009830 35O 1dxy 0.001016 0.003556 -0.000478 0.004047 -0.002479 0.001913 35O 2dz2 0.043162 0.098275 -0.073447 -0.288013 -0.002573 0.012856 35O 2dxz -0.047266 0.088502 -0.113477 0.058322 0.049666 -0.024428 35O 2dyz -0.002870 0.103353 -0.024063 0.094438 0.015170 -0.024209 35O 2dx2y2 0.015583 0.014637 -0.037340 0.224777 -0.016748 0.135812 35O 2dxy -0.067470 0.019522 0.044981 0.331457 -0.087717 0.066721 35O 1f0 -0.002779 0.001287 -0.003744 0.000698 -0.003001 0.006109 35O 1f+1 0.000572 0.001908 -0.001753 0.000396 -0.003630 0.002898 35O 1f-1 -0.003256 -0.001407 0.000112 0.001500 0.001078 -0.000536 35O 1f+2 0.003291 -0.001541 0.001007 0.000551 -0.003135 0.003094 35O 1f-2 -0.002501 -0.001390 0.005115 -0.005918 0.004343 -0.007296 35O 1f+3 0.001871 0.002753 0.000546 -0.001697 -0.003023 0.000193 35O 1f-3 0.004410 0.007052 -0.012963 -0.001037 -0.005408 0.007346 402 403 404 405 406 407 2.18524 2.20171 2.21316 2.21800 2.21992 2.23359 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s -0.000239 0.001619 0.000044 0.000190 -0.001247 -0.000030 0Rh 2s 0.001633 -0.006941 -0.000264 -0.002569 0.006947 -0.000222 0Rh 3s -0.000410 0.005301 0.000100 -0.000452 -0.003111 -0.000311 0Rh 4s -0.008295 0.034908 0.001342 0.012957 -0.035334 0.001179 0Rh 5s 0.015102 -0.043532 -0.002281 -0.026699 0.058825 -0.004367 0Rh 6s -0.010192 -0.051094 0.000602 0.022964 -0.022134 0.011494 0Rh 7s 0.087120 0.151463 -0.022740 -0.036869 0.486981 -0.041984 0Rh 8s 0.156406 -0.755012 -0.019364 0.498191 0.449177 0.120770 0Rh 1pz 0.004460 -0.000860 0.000928 0.001588 -0.000495 0.000486 0Rh 1px 0.003663 -0.004881 0.000017 -0.002436 0.013226 0.000379 0Rh 1py -0.002674 -0.001773 0.001220 -0.003447 0.002018 0.003295 0Rh 2pz -0.015532 0.002406 -0.003347 -0.005714 0.001851 -0.001779 0Rh 2px -0.012714 0.018381 0.000039 0.008555 -0.046479 -0.001202 0Rh 2py 0.009350 0.006508 -0.003919 0.011551 -0.006938 -0.011780 0Rh 3pz 0.006274 0.011842 0.003997 0.006470 -0.003719 0.002494 0Rh 3px 0.004613 -0.037071 -0.002029 -0.004759 0.028341 -0.002108 0Rh 3py -0.005317 -0.009969 -0.005303 0.004946 0.001200 0.011088 0Rh 4pz 0.081009 -0.066405 0.005567 0.011866 0.003127 0.001633 0Rh 4px 0.066732 0.027273 0.007734 -0.040708 0.199349 0.017636 0Rh 4py -0.039260 -0.002827 0.047885 -0.099581 0.041827 0.035356 0Rh 5pz -0.147752 0.129149 -0.007537 -0.018257 0.000718 0.004578 0Rh 5px -0.120843 -0.056674 -0.013868 0.089821 -0.366147 -0.039578 0Rh 5py 0.065350 0.001363 -0.087531 0.188323 -0.083252 -0.059087 0Rh 6pz -0.409686 -0.213380 -0.021428 -0.325935 -0.356779 -0.434176 0Rh 6px -0.082701 0.789067 0.152825 -0.673353 -0.163454 0.165378 0Rh 6py -0.021204 0.400717 -0.151471 0.035760 0.554686 -0.764164 0Rh 1dz2 -0.003158 0.002381 0.012845 0.009746 0.003681 -0.006534 0Rh 1dxz 0.007138 -0.010935 0.006182 0.010413 0.017668 0.008409 0Rh 1dyz -0.006277 -0.002600 0.004267 -0.005627 0.004748 -0.014743 0Rh 1dx2y2 -0.005467 0.012937 0.011487 0.012923 -0.005652 -0.004581 0Rh 1dxy 0.009091 -0.003098 0.005797 0.000699 -0.013265 0.016857 0Rh 2dz2 0.000941 -0.000771 -0.002059 -0.000825 0.000852 -0.001770 0Rh 2dxz -0.001366 0.000523 -0.000362 0.000236 -0.000508 -0.000327 0Rh 2dyz 0.001380 0.000381 -0.001196 0.001036 -0.000473 -0.005894 0Rh 2dx2y2 -0.000861 -0.000569 -0.001239 -0.003482 -0.001543 -0.000705 0Rh 2dxy 0.000590 0.000336 -0.002018 0.000810 0.000187 -0.004086 0Rh 3dz2 0.004151 -0.003027 -0.024982 -0.022539 -0.013543 0.025596 0Rh 3dxz -0.012986 0.026576 -0.014894 -0.029067 -0.044904 -0.021065 0Rh 3dyz 0.010404 0.005140 -0.005396 0.010415 -0.010519 0.066034 0Rh 3dx2y2 0.018127 -0.031736 -0.024986 -0.018989 0.021902 0.015485 0Rh 3dxy -0.026597 0.006826 -0.006248 -0.005266 0.034580 -0.026733 0Rh 4dz2 0.014700 -0.009962 -0.033358 -0.009734 0.011668 -0.028933 0Rh 4dxz -0.019235 0.012097 -0.005975 0.006408 -0.008911 -0.005408 0Rh 4dyz 0.021553 0.007073 -0.030076 0.014741 -0.008392 -0.090550 0Rh 4dx2y2 -0.009796 -0.011262 -0.021093 -0.052415 -0.022774 -0.011654 0Rh 4dxy 0.004665 0.004341 -0.034727 0.008447 0.003497 -0.065008 0Rh 5dz2 -0.059372 0.028320 0.200531 0.042247 -0.017377 0.093614 0Rh 5dxz 0.093463 -0.126544 0.048359 -0.022530 0.118106 0.052091 0Rh 5dyz -0.070766 -0.045961 0.284333 -0.038358 0.063733 0.291888 0Rh 5dx2y2 0.008797 0.109336 0.133051 0.252228 0.046591 0.040085 0Rh 5dxy 0.045146 -0.021474 0.220381 -0.002866 -0.065992 0.329858 0Rh 1f0 -0.156944 -0.114944 0.042276 -0.133781 0.076260 0.003410 0Rh 1f+1 -0.017974 -0.037935 -0.086072 -0.294749 0.005140 0.026273 0Rh 1f-1 -0.169955 -0.057234 0.037674 0.065468 -0.011971 -0.045235 0Rh 1f+2 -0.117796 -0.160907 -0.026705 -0.043772 0.116345 -0.054168 0Rh 1f-2 0.099324 0.046201 -0.080705 0.087640 -0.008817 -0.006832 0Rh 1f+3 -0.185898 -0.065622 -0.005798 -0.028110 0.019620 -0.054806 0Rh 1f-3 0.288323 0.194061 0.164861 -0.006356 -0.113321 0.103473 1Rh 1s -0.000227 -0.001585 -0.000094 0.000097 -0.001303 0.000112 1Rh 2s 0.001689 0.006740 0.000531 0.000722 0.007601 -0.001105 1Rh 3s -0.000304 -0.005225 -0.000232 0.001015 -0.003039 -0.000012 1Rh 4s -0.008577 -0.033898 -0.002696 -0.003553 -0.038625 0.005638 1Rh 5s 0.016087 0.041907 0.004411 0.009828 0.065311 -0.011674 1Rh 6s -0.012087 0.051095 -0.000751 -0.012242 -0.026467 0.012118 1Rh 7s 0.098248 -0.144759 0.030959 -0.091286 0.475183 -0.022026 1Rh 8s 0.119756 0.763575 0.027274 -0.564663 0.298525 0.175120 1Rh 1pz -0.004145 -0.000994 0.000900 0.001323 0.000700 -0.000313 1Rh 1px -0.003815 -0.005124 -0.000275 0.000582 -0.013365 -0.000577 1Rh 1py 0.002457 -0.001645 0.001101 -0.003049 -0.002582 -0.003202 1Rh 2pz 0.014412 0.002859 -0.003249 -0.004770 -0.002580 0.001188 1Rh 2px 0.013332 0.019232 0.001061 -0.002050 0.046929 0.001979 1Rh 2py -0.008618 0.006053 -0.003499 0.010205 0.008802 0.011472 1Rh 3pz -0.005289 0.011929 0.003975 0.005509 0.004359 -0.002521 1Rh 3px -0.006747 -0.037515 -0.002556 0.001756 -0.027737 -0.000088 1Rh 3py 0.005517 -0.009608 -0.005584 0.004681 0.000198 -0.011355 1Rh 4pz -0.077551 -0.069878 0.004929 0.009512 -0.000823 0.002507 1Rh 4px -0.062337 0.023264 0.002964 0.004483 -0.205332 -0.013907 1Rh 4py 0.033443 -0.001210 0.046176 -0.089493 -0.060399 -0.032125 1Rh 5pz 0.141421 0.135457 -0.006380 -0.012834 -0.004335 -0.012107 1Rh 5px 0.113312 -0.049010 -0.005089 0.007262 0.380589 0.032128 1Rh 5py -0.054194 -0.001489 -0.084585 0.168132 0.118444 0.053053 1Rh 6pz 0.465277 -0.210752 -0.007264 -0.395405 0.276723 0.399494 1Rh 6px 0.123795 0.788027 0.152169 -0.699092 -0.011452 -0.120672 1Rh 6py -0.007039 0.391482 -0.135388 0.190427 -0.542651 0.767928 1Rh 1dz2 -0.004195 -0.002650 -0.012793 -0.010702 0.001905 -0.006494 1Rh 1dxz 0.008592 0.011534 -0.005675 -0.013713 0.015065 0.008733 1Rh 1dyz -0.005755 0.002750 -0.004240 0.004219 0.005706 -0.014818 1Rh 1dx2y2 -0.005713 -0.012642 -0.011892 -0.011144 -0.008050 -0.004161 1Rh 1dxy 0.008339 0.002853 -0.005345 0.003110 -0.012778 0.016705 1Rh 2dz2 0.000846 0.000790 0.002082 0.000634 0.000947 -0.001888 1Rh 2dxz -0.001584 -0.000548 0.000374 -0.000041 -0.000532 -0.000246 1Rh 2dyz 0.001344 -0.000424 0.001078 -0.001069 -0.000708 -0.005868 1Rh 2dx2y2 -0.000520 0.000518 0.001246 0.003644 -0.000806 -0.000723 1Rh 2dxy 0.000634 -0.000325 0.001922 -0.001010 -0.000003 -0.004059 1Rh 3dz2 0.007328 0.003665 0.024748 0.025924 -0.009185 0.026002 1Rh 3dxz -0.015846 -0.028044 0.013492 0.037009 -0.037800 -0.022276 1Rh 3dyz 0.009176 -0.005340 0.005850 -0.006507 -0.012024 0.066123 1Rh 3dx2y2 0.017230 0.031169 0.026044 0.013544 0.025028 0.014425 1Rh 3dxy -0.024816 -0.006225 0.005475 -0.003996 0.034100 -0.026447 1Rh 4dz2 0.013358 0.010212 0.033611 0.007122 0.012559 -0.030442 1Rh 4dxz -0.022990 -0.012705 0.006061 -0.003336 -0.009881 -0.004412 1Rh 4dyz 0.021021 -0.007831 0.028323 -0.015058 -0.011860 -0.090209 1Rh 4dx2y2 -0.004331 0.010541 0.021097 0.054605 -0.011732 -0.011825 1Rh 4dxy 0.005733 -0.004154 0.033202 -0.011833 0.001174 -0.064636 1Rh 5dz2 -0.058796 -0.030525 -0.200761 -0.039915 -0.020812 0.096939 1Rh 5dxz 0.115092 0.132175 -0.045708 -0.005438 0.119965 0.048528 1Rh 5dyz -0.069841 0.049913 -0.278308 0.031738 0.074216 0.290969 1Rh 5dx2y2 -0.014119 -0.105122 -0.134589 -0.247889 -0.005543 0.043581 1Rh 5dxy 0.036045 0.020255 -0.213144 0.031723 -0.059005 0.329006 1Rh 1f0 0.185446 -0.121351 0.041787 -0.115209 -0.101589 0.000536 1Rh 1f+1 0.035348 -0.038932 -0.086264 -0.288092 -0.064190 -0.025377 1Rh 1f-1 0.172071 -0.055856 0.040459 0.066410 0.025560 0.049309 1Rh 1f+2 0.116884 -0.162409 -0.027241 -0.014030 -0.118106 0.051902 1Rh 1f-2 -0.109017 0.047934 -0.078586 0.086526 0.027924 0.002759 1Rh 1f+3 0.191884 -0.062850 -0.005912 -0.019271 -0.023474 0.056078 1Rh 1f-3 -0.307693 0.198113 0.158568 -0.038715 0.103877 -0.113245 2C 1s -0.000611 -0.000795 -0.002936 0.000918 0.000173 -0.001072 2C 2s 0.003045 -0.010068 0.003863 -0.002858 0.011377 -0.018964 2C 3s -0.008887 0.139615 -0.027254 0.043411 -0.142141 0.288768 2C 4s -0.053320 -0.452724 0.208582 -0.212291 0.428973 -1.078889 2C 5s 0.018630 2.339488 -3.027028 1.134338 -2.865751 4.759918 2C 1pz 0.154405 0.073492 0.199190 0.026729 0.015731 -0.067080 2C 1px -0.103388 -0.002047 -0.126853 0.062372 -0.069058 -0.005817 2C 1py -0.132452 -0.108426 0.002676 -0.130354 0.065862 -0.010292 2C 2pz -0.238929 -0.367788 0.006882 -0.247781 0.227906 -0.519232 2C 2px 0.298462 0.030177 0.438490 -0.137408 0.273859 -0.272257 2C 2py 0.328518 0.024618 0.268078 0.084036 0.058734 -0.434652 2C 3pz 0.080346 0.606442 -0.614887 0.288141 -0.665519 0.939652 2C 3px 0.010708 0.031814 -0.259259 0.147845 -0.087137 0.372010 2C 3py -0.181695 0.179152 -0.496724 0.057679 -0.382486 0.664257 2C 1dz2 -0.010590 0.006520 -0.019623 0.013092 -0.004538 0.013235 2C 1dxz -0.000979 -0.005417 0.020446 -0.012121 0.033302 -0.010862 2C 1dyz -0.004359 0.005077 -0.023014 0.005837 -0.016968 0.002586 2C 1dx2y2 -0.000530 0.036851 -0.000978 -0.000545 -0.014372 -0.004867 2C 1dxy -0.007709 -0.017060 0.004030 -0.002371 0.012952 -0.007398 2C 2dz2 -0.197172 -0.166446 -0.089015 -0.145070 0.056626 -0.078756 2C 2dxz 0.086419 -0.073354 0.117183 -0.116610 0.025927 -0.031241 2C 2dyz -0.019668 -0.012109 0.020886 0.002850 0.033292 -0.204984 2C 2dx2y2 -0.185160 -0.141057 -0.127007 -0.079329 0.046647 -0.004653 2C 2dxy 0.217966 0.190188 0.171484 0.121722 -0.041803 -0.079268 2C 1f0 -0.022066 0.047320 -0.050803 0.009038 -0.030262 0.028901 2C 1f+1 0.015203 0.012791 0.020385 0.014684 0.006659 -0.040216 2C 1f-1 0.013154 -0.030310 0.038827 -0.010632 0.024842 -0.027035 2C 1f+2 0.023775 -0.058549 0.078929 -0.028968 0.066116 -0.061651 2C 1f-2 -0.046029 0.039585 -0.081510 0.019157 -0.055186 0.101980 2C 1f+3 0.025229 -0.077406 0.125079 -0.071634 0.111892 -0.152805 2C 1f-3 0.014936 0.009219 0.014800 0.002217 0.007463 -0.052779 3C 1s -0.000234 -0.000952 0.001641 0.000718 -0.000633 -0.000176 3C 2s -0.001505 -0.004598 -0.004488 0.006479 0.012879 0.016432 3C 3s 0.025223 0.077341 0.029967 -0.069693 -0.182258 -0.280466 3C 4s -0.071583 -0.300391 -0.110570 0.125537 0.632684 1.142071 3C 5s -0.926424 0.617302 2.345847 -1.878144 -4.433492 -4.988869 3C 1pz -0.046115 0.007608 -0.091659 0.099115 0.135755 0.040132 3C 1px 0.002037 -0.068911 0.127829 0.092600 -0.017200 0.017551 3C 1py -0.035646 -0.039352 0.110246 0.100052 -0.011776 -0.062440 3C 2pz 0.074809 -0.128587 0.121844 -0.159303 -0.038453 0.285244 3C 2px -0.064081 0.179696 -0.429378 -0.185511 0.151998 0.355836 3C 2py 0.136589 0.175351 0.032631 -0.210208 -0.429210 -0.654931 3C 3pz -0.183029 0.051158 0.286763 -0.210580 -0.545116 -0.519401 3C 3px -0.068400 -0.091356 0.271009 -0.004673 -0.274975 -0.514845 3C 3py 0.204990 -0.173682 -0.485049 0.459280 0.992259 1.052639 3C 1dz2 -0.008300 0.001304 0.004223 -0.000091 -0.002974 0.000511 3C 1dxz 0.024430 -0.030552 -0.016045 0.014008 0.031184 0.001722 3C 1dyz 0.006896 0.002470 -0.028622 0.010341 0.031032 0.016015 3C 1dx2y2 -0.008373 0.005555 -0.011878 -0.005622 -0.014192 0.007097 3C 1dxy -0.008423 -0.007315 0.011452 -0.002032 -0.008026 -0.012640 3C 2dz2 0.051881 -0.027764 0.064385 0.014161 -0.010719 -0.074843 3C 2dxz -0.022446 0.114616 -0.133777 -0.217440 -0.036020 0.011013 3C 2dyz -0.054769 0.043683 -0.059403 0.058621 -0.012999 -0.197059 3C 2dx2y2 0.074878 0.098353 -0.058822 -0.178162 -0.121131 -0.088952 3C 2dxy 0.083291 -0.022991 0.095749 0.009500 -0.019093 -0.116309 3C 1f0 -0.003212 0.017816 0.062555 -0.047397 -0.120014 -0.119558 3C 1f+1 -0.024191 0.024672 0.034310 -0.016804 -0.060623 -0.020520 3C 1f-1 -0.003406 0.023942 0.047384 -0.009215 -0.076934 -0.090870 3C 1f+2 -0.011395 -0.001183 -0.076158 0.032002 0.098710 0.135674 3C 1f-2 0.023335 -0.024068 -0.049824 0.024443 0.084909 0.061037 3C 1f+3 0.022251 -0.016209 -0.038756 -0.008603 0.043286 0.049005 3C 1f-3 0.023131 -0.023477 0.008308 0.006162 -0.007061 -0.058995 4C 1s 0.001577 -0.001527 -0.005663 -0.002308 0.001577 0.021232 4C 2s 0.006632 -0.004674 -0.015332 -0.008174 0.004439 0.069165 4C 3s -0.023008 -0.013963 0.069099 0.087089 0.146101 -0.633072 4C 4s -0.264822 0.414406 -0.231613 0.037442 -1.433990 1.091922 4C 5s 0.118180 -1.271471 1.940482 -0.910333 1.249469 -3.327924 4C 1pz -0.117339 0.031604 -0.271122 0.150935 -0.167931 0.179111 4C 1px 0.041766 0.254003 0.093289 -0.106358 -0.050518 -0.113753 4C 1py 0.005923 0.154745 -0.088158 0.088141 -0.140171 0.052443 4C 2pz 0.239903 -0.219429 0.671162 -0.420119 0.209813 -0.835640 4C 2px -0.411063 -0.401073 -0.165224 0.290838 0.176742 -0.182941 4C 2py -0.161527 -0.355174 0.267539 -0.244541 0.210819 -0.538854 4C 3pz 0.262723 0.768947 -1.357502 0.326705 -1.163638 2.141287 4C 3px -0.326025 0.304839 -0.362629 -0.196804 -0.195547 -0.185885 4C 3py 0.225565 0.767888 -0.890757 0.332627 -0.848575 1.212049 4C 1dz2 -0.004698 0.015149 -0.001691 -0.006601 -0.010191 -0.008812 4C 1dxz -0.023886 -0.025855 -0.036929 -0.005957 -0.002078 0.032547 4C 1dyz -0.016566 0.009798 -0.040502 0.007035 -0.011339 0.012853 4C 1dx2y2 0.006003 -0.021913 0.011872 -0.035157 0.013578 0.000965 4C 1dxy 0.023270 -0.023011 0.002754 0.025692 -0.000368 0.028822 4C 2dz2 -0.331950 -0.208175 -0.374277 -0.231136 0.104512 0.248774 4C 2dxz 0.237882 0.031581 0.122222 0.180382 0.166093 0.097553 4C 2dyz 0.242226 0.229202 -0.003906 0.206645 -0.119050 0.242577 4C 2dx2y2 0.026479 0.012308 0.229936 -0.081354 -0.115751 -0.162028 4C 2dxy -0.142509 -0.185892 0.014744 -0.119562 0.054857 0.016259 4C 1f0 -0.004926 0.009584 -0.005658 -0.002322 0.000145 0.016277 4C 1f+1 -0.003255 0.003111 0.007849 -0.017196 0.030495 -0.014014 4C 1f-1 -0.016606 0.016387 -0.062743 0.033179 -0.028676 0.047514 4C 1f+2 -0.020407 -0.011854 0.006267 -0.012911 0.012606 -0.000626 4C 1f-2 -0.000695 0.027417 -0.013388 -0.000893 -0.013018 -0.013675 4C 1f+3 0.011956 0.006156 -0.006537 0.002522 0.005929 0.002188 4C 1f-3 0.021022 -0.031615 -0.009920 -0.004866 0.010368 0.011949 5C 1s -0.000472 0.000930 -0.000412 0.008413 0.001197 -0.020724 5C 2s -0.002735 0.004273 -0.003581 0.028019 0.003345 -0.068123 5C 3s 0.024418 -0.014475 0.026668 -0.174825 0.223863 0.693893 5C 4s -0.089815 -0.067898 0.325394 -0.241428 -1.985624 -1.609446 5C 5s 0.197619 -0.605084 -1.244085 0.478871 1.771036 3.156536 5C 1pz 0.068488 -0.081119 0.161533 -0.059150 -0.153855 -0.125760 5C 1px -0.185643 0.282808 -0.055102 -0.201869 -0.179073 0.033184 5C 1py -0.022812 0.008834 -0.183886 0.058371 0.230076 0.177340 5C 2pz -0.248954 0.012654 -0.278554 0.082955 0.351782 0.466386 5C 2px 0.570015 -0.403743 0.080474 0.337937 -0.085261 0.370182 5C 2py 0.163747 0.171698 0.356974 -0.061150 -0.427832 -0.816256 5C 3pz -0.332420 -0.021286 0.633316 -0.673121 -1.248936 -1.494299 5C 3px -0.420146 0.304935 0.501695 -0.426612 -1.082989 -0.416649 5C 3py 0.772221 -0.052677 -1.009158 0.824940 1.972233 2.253026 5C 1dz2 -0.005409 0.023283 -0.003726 -0.008776 -0.020265 0.012837 5C 1dxz 0.045460 -0.032805 -0.000645 -0.030227 0.000513 -0.013539 5C 1dyz 0.012914 -0.020848 0.000684 0.007507 0.022074 0.005775 5C 1dx2y2 0.014067 -0.002730 -0.028779 0.026847 0.031000 -0.008047 5C 1dxy -0.031384 0.035241 -0.044883 -0.020642 -0.012458 0.030339 5C 2dz2 0.089330 0.091990 0.013010 -0.246894 -0.026574 0.016528 5C 2dxz 0.084767 -0.017395 0.073668 0.179303 0.078051 -0.147272 5C 2dyz 0.032634 -0.037215 -0.120144 0.015586 0.178909 0.301725 5C 2dx2y2 0.106768 -0.034564 -0.125165 -0.307679 -0.224650 0.249744 5C 2dxy -0.165933 -0.145182 0.267498 0.153451 0.095878 0.158140 5C 1f0 -0.015127 0.004854 -0.040879 0.015984 0.024552 0.029708 5C 1f+1 0.017130 -0.007918 -0.003064 0.024065 0.022174 -0.006081 5C 1f-1 -0.001383 0.019375 -0.009922 0.007945 0.004103 0.010960 5C 1f+2 0.010776 -0.009684 -0.029944 0.008264 0.044588 0.040828 5C 1f-2 0.029376 -0.034782 0.003631 0.016600 0.031665 -0.007389 5C 1f+3 -0.002233 0.002511 0.010635 0.006216 0.010869 -0.004718 5C 1f-3 0.015869 0.002234 -0.003070 -0.012909 -0.029972 0.006896 6C 1s -0.000861 -0.000891 0.000373 -0.009068 -0.000490 -0.020471 6C 2s -0.004021 -0.004168 0.003487 -0.029996 -0.002248 -0.067567 6C 3s 0.051644 0.020467 -0.019126 0.146539 0.250626 0.689951 6C 4s -0.199631 0.015262 -0.377392 0.585489 -1.872547 -1.576528 6C 5s 0.240799 0.638219 1.278360 -0.783992 1.598784 3.053605 6C 1pz -0.068331 -0.077162 0.165174 -0.085940 0.138281 0.113451 6C 1px 0.181328 0.287626 -0.056327 -0.237566 0.125737 -0.026108 6C 1py 0.016484 0.002736 -0.191203 0.098341 -0.211925 -0.161411 6C 2pz 0.254402 0.003675 -0.280968 0.146696 -0.323529 -0.441421 6C 2px -0.556840 -0.406807 0.079890 0.292223 0.158115 -0.372361 6C 2py -0.155992 0.182925 0.368381 -0.126227 0.400952 0.782117 6C 3pz 0.377974 0.012307 0.651264 -0.882436 1.063207 1.441623 6C 3px 0.437257 0.332087 0.505879 -0.648141 0.942462 0.396772 6C 3py -0.852103 -0.104865 -1.040299 1.164023 -1.730050 -2.179689 6C 1dz2 -0.006752 -0.024055 0.002893 0.013013 -0.017683 0.013853 6C 1dxz 0.044984 0.033052 -0.000248 0.028702 0.005763 -0.011066 6C 1dyz 0.014075 0.021106 -0.000131 -0.011486 0.019175 0.003965 6C 1dx2y2 0.015012 0.003395 0.029345 -0.032443 0.024089 -0.009357 6C 1dxy -0.030302 -0.035355 0.045920 0.025491 -0.007644 0.027490 6C 2dz2 0.107604 -0.092018 -0.009106 0.253312 0.024841 0.022530 6C 2dxz 0.084826 0.015917 -0.068354 -0.198109 0.040514 -0.138440 6C 2dyz 0.039516 0.047584 0.123366 -0.039921 0.169783 0.287892 6C 2dx2y2 0.098716 0.037536 0.124964 0.361141 -0.152401 0.231690 6C 2dxy -0.165791 0.143729 -0.273218 -0.170269 0.053061 0.179982 6C 1f0 0.015169 0.003992 -0.041733 0.019536 -0.020565 -0.026739 6C 1f+1 -0.018048 -0.008721 -0.003575 0.028080 -0.016499 0.005496 6C 1f-1 0.002306 0.019248 -0.008948 0.008619 -0.002318 -0.010676 6C 1f+2 -0.012366 -0.011046 -0.031202 0.016461 -0.041088 -0.039037 6C 1f-2 -0.027447 -0.035664 0.004863 0.024477 -0.026567 0.007390 6C 1f+3 0.001211 0.002327 0.010328 0.008422 -0.009058 0.003511 6C 1f-3 -0.015707 0.002856 -0.002783 -0.018782 0.026408 -0.008221 7C 1s 0.001762 0.001506 0.005598 0.001779 0.001642 0.020740 7C 2s 0.007173 0.004612 0.015081 0.006576 0.004899 0.067322 7C 3s -0.013136 0.008771 -0.064357 -0.119396 0.126753 -0.615680 7C 4s -0.353711 -0.386821 0.205453 0.304336 -1.383249 1.091724 7C 5s 0.226951 1.284477 -1.902355 0.601647 1.440442 -3.391035 7C 1pz 0.126549 0.033249 -0.268748 0.108655 0.200714 -0.194242 7C 1px -0.039565 0.250395 0.095341 -0.114212 0.019207 0.122262 7C 1py 0.004037 0.154999 -0.084417 0.055116 0.153316 -0.063152 7C 2pz -0.239787 -0.222080 0.664972 -0.364909 -0.309545 0.856594 7C 2px 0.392958 -0.397347 -0.157970 0.333921 -0.107154 0.181985 7C 2py 0.141311 -0.357687 0.263575 -0.190302 -0.261152 0.562438 7C 3pz -0.134606 0.762563 -1.320204 0.054831 1.203631 -2.213922 7C 3px 0.313989 0.299605 -0.340377 -0.225529 0.137069 0.198094 7C 3py -0.160275 0.766642 -0.859597 0.136840 0.893345 -1.265881 7C 1dz2 -0.006431 -0.015055 0.000683 0.008131 -0.008390 -0.006983 7C 1dxz -0.025008 0.025861 0.037604 0.007400 -0.001975 0.035659 7C 1dyz -0.016546 -0.009848 0.040513 -0.005020 -0.013493 0.013887 7C 1dx2y2 0.006781 0.021822 -0.012700 0.030453 0.020317 -0.001885 7C 1dxy 0.022699 0.021928 -0.002195 -0.025337 -0.006528 0.030001 7C 2dz2 -0.328413 0.202332 0.379075 0.200335 0.127957 0.246555 7C 2dxz 0.226832 -0.025437 -0.113213 -0.213587 0.128996 0.076084 7C 2dyz 0.241595 -0.227090 0.002011 -0.176349 -0.157139 0.241069 7C 2dx2y2 0.001884 -0.004837 -0.226116 0.110903 -0.082383 -0.167293 7C 2dxy -0.159125 0.193151 -0.017830 0.108638 0.083674 0.001233 7C 1f0 0.001870 0.009885 -0.006442 -0.002263 -0.000354 -0.014669 7C 1f+1 -0.000769 0.003620 0.007621 -0.008923 -0.032603 0.015114 7C 1f-1 0.019286 0.017032 -0.062395 0.025698 0.035909 -0.050619 7C 1f+2 0.017561 -0.012715 0.004780 -0.011062 -0.014844 0.001019 7C 1f-2 0.000940 0.027581 -0.012527 -0.003299 0.012199 0.013911 7C 1f+3 -0.012671 0.006699 -0.006544 0.003578 -0.004735 -0.003865 7C 1f-3 -0.020634 -0.031093 -0.009870 -0.002001 -0.010256 -0.011300 8C 1s -0.000328 0.000874 -0.001657 -0.000673 -0.000718 0.000068 8C 2s -0.001271 0.004693 0.004891 -0.008733 0.011242 0.016341 8C 3s 0.020023 -0.080743 -0.034669 0.099468 -0.162788 -0.279954 8C 4s -0.051433 0.320122 0.122369 -0.222834 0.585336 1.131611 8C 5s -1.069036 -0.719758 -2.421671 2.657117 -3.882358 -4.815736 8C 1pz 0.047468 0.003360 -0.091559 0.125959 -0.110823 -0.030980 8C 1px 0.003036 -0.065430 0.129997 0.086245 0.038363 -0.022753 8C 1py 0.040009 -0.038023 0.113791 0.100176 0.032257 0.054031 8C 2pz -0.088115 -0.127961 0.115647 -0.178081 0.005821 -0.291524 8C 2px 0.046475 0.167364 -0.442481 -0.165484 -0.191313 -0.333854 8C 2py -0.129070 0.187806 0.036680 -0.274531 0.369757 0.642611 8C 3pz 0.204296 0.060033 0.297921 -0.308504 0.482124 0.503301 8C 3px 0.086168 -0.080418 0.278798 -0.046455 0.267656 0.494078 8C 3py -0.233474 -0.196437 -0.500243 0.638549 -0.859692 -1.015386 8C 1dz2 -0.007725 -0.001053 -0.003427 0.001006 -0.002245 -0.001273 8C 1dxz 0.026621 0.031629 0.016508 -0.020660 0.026100 0.004627 8C 1dyz 0.008263 -0.001492 0.028916 -0.015784 0.027224 0.015278 8C 1dx2y2 -0.007665 -0.005841 0.012608 0.009551 -0.012891 0.007152 8C 1dxy -0.010003 0.006633 -0.011367 0.004033 -0.007149 -0.014483 8C 2dz2 0.055167 0.025104 -0.063090 -0.013033 -0.014194 -0.067682 8C 2dxz -0.021323 -0.113105 0.136303 0.225799 0.015074 -0.009257 8C 2dyz -0.062591 -0.044227 0.059044 -0.063770 -0.020298 -0.206114 8C 2dx2y2 0.075795 -0.100195 0.058638 0.196925 -0.078872 -0.089616 8C 2dxy 0.086082 0.020083 -0.099889 -0.011134 -0.023621 -0.102211 8C 1f0 0.006827 0.021419 0.065338 -0.068831 0.107012 0.114477 8C 1f+1 0.026188 0.026035 0.032625 -0.027588 0.051497 0.016607 8C 1f-1 0.006426 0.025631 0.049999 -0.021412 0.071911 0.085539 8C 1f+2 0.007702 -0.003011 -0.079075 0.047005 -0.088274 -0.128631 8C 1f-2 -0.025913 -0.026289 -0.052887 0.040589 -0.078344 -0.060273 8C 1f+3 -0.024307 -0.017233 -0.040700 -0.000813 -0.043733 -0.050088 8C 1f-3 -0.023879 -0.024263 0.008569 0.007431 0.007749 0.053994 9C 1s -0.000587 0.000751 0.002952 -0.001012 -0.000155 -0.000973 9C 2s 0.003864 0.009948 -0.003601 0.000004 0.011477 -0.019296 9C 3s -0.018265 -0.136624 0.024539 -0.006719 -0.144628 0.289529 9C 4s -0.029961 0.443266 -0.201195 0.101388 0.459889 -1.074757 9C 5s -0.222664 -2.333325 2.941976 -0.454349 -3.034169 4.914038 9C 1pz -0.154990 0.070802 0.199669 0.027398 -0.017716 0.071095 9C 1px 0.098377 0.003529 -0.122088 0.049776 0.084879 -0.001384 9C 1py 0.131839 -0.108087 -0.000987 -0.113756 -0.088083 0.016913 9C 2pz 0.223392 -0.360213 -0.001807 -0.186232 -0.266974 0.519201 9C 2px -0.291126 0.018726 0.428437 -0.078289 -0.308389 0.293197 9C 2py -0.334600 0.023603 0.278585 0.097628 -0.055988 0.431098 9C 3pz -0.029075 0.605346 -0.592828 0.130129 0.706134 -0.968793 9C 3px -0.004323 0.040578 -0.254224 0.127963 0.126110 -0.381250 9C 3py 0.220826 0.181565 -0.487787 -0.028438 0.390978 -0.692730 9C 1dz2 -0.009054 -0.006704 0.020813 -0.011791 -0.007803 0.013230 9C 1dxz 0.004735 0.005568 -0.019302 0.004572 0.034318 -0.010121 9C 1dyz -0.006311 -0.004984 0.022389 -0.002495 -0.017847 0.003963 9C 1dx2y2 -0.000033 -0.036808 0.000958 0.003713 -0.013104 -0.006041 9C 1dxy -0.007224 0.016064 -0.004447 -0.000383 0.012338 -0.006383 9C 2dz2 -0.197296 0.162581 0.090791 0.126888 0.079891 -0.076578 9C 2dxz 0.059804 0.079998 -0.115361 0.112197 0.056915 -0.045641 9C 2dyz -0.011647 0.010399 -0.023879 -0.010490 0.032921 -0.199855 9C 2dx2y2 -0.187306 0.142896 0.128486 0.068143 0.055088 0.000477 9C 2dxy 0.210969 -0.183244 -0.166228 -0.107946 -0.054662 -0.086383 9C 1f0 0.023742 0.047163 -0.051064 0.002341 0.031909 -0.029584 9C 1f+1 -0.014882 0.014548 0.019165 0.016397 -0.002770 0.039435 9C 1f-1 -0.015481 -0.030517 0.038858 -0.005335 -0.027706 0.029066 9C 1f+2 -0.032562 -0.060241 0.079863 -0.014940 -0.073816 0.069449 9C 1f-2 0.047350 0.038501 -0.078233 0.006042 0.057667 -0.103590 9C 1f+3 -0.032824 -0.078002 0.120644 -0.045100 -0.124678 0.155788 9C 1f-3 -0.015245 0.006373 0.020388 0.003081 -0.012270 0.060450 10H 1s -0.078423 0.221143 -0.242939 0.105143 -0.229805 0.152984 10H 2s 0.181536 -0.445908 0.496681 -0.214514 0.365279 -0.329747 10H 3s -0.005832 0.053891 0.155326 -0.063625 0.020761 -0.380273 10H 1pz 0.015849 0.050903 -0.000460 0.048151 -0.047063 0.010823 10H 1px -0.100360 0.048185 -0.145965 0.062732 -0.058327 0.017139 10H 1py -0.157934 -0.096285 -0.110046 -0.094642 0.022248 0.037453 11H 1s -0.081977 0.062532 -0.136239 0.001164 -0.072516 0.232398 11H 2s 0.207146 -0.099686 0.450989 -0.041432 0.327119 -0.611934 11H 3s 0.052800 -0.108524 0.104199 -0.024019 0.176964 -0.173305 11H 1pz 0.083290 0.024155 0.132104 -0.036030 0.056234 -0.054119 11H 1px -0.083447 -0.007567 -0.049461 0.016292 -0.011839 -0.081282 11H 1py -0.158715 -0.102766 -0.105881 -0.114675 0.006072 0.036345 12H 1s -0.017901 0.028357 -0.118424 0.100473 -0.112953 0.224492 12H 2s 0.077003 -0.248845 0.366071 -0.318096 0.399564 -0.605768 12H 3s -0.167893 -0.334040 0.059649 -0.054016 0.200662 -0.200522 12H 1pz 0.181086 0.127528 0.100845 0.100414 -0.042826 -0.010081 12H 1px -0.060886 0.018780 -0.062165 0.059270 -0.054497 -0.083350 12H 1py 0.027777 -0.066992 0.089734 -0.092524 0.092211 -0.058801 13H 1s -0.100088 0.124054 0.196434 -0.101338 -0.354222 -0.195671 13H 2s 0.117305 -0.237907 -0.351904 0.187449 0.660826 0.417466 13H 3s -0.051541 0.109494 -0.096951 -0.022008 0.060911 0.343790 13H 1pz -0.030769 -0.039898 0.019813 0.113144 0.097818 0.001369 13H 1px -0.007385 -0.034639 0.146296 0.069466 -0.066496 -0.027167 13H 1py -0.032537 0.009775 -0.049639 0.085508 0.054112 0.013132 14H 1s 0.075775 -0.051935 0.063169 -0.070391 -0.125735 -0.243429 14H 2s -0.125166 0.048841 -0.253691 0.244655 0.406539 0.633341 14H 3s 0.082633 -0.221922 -0.090973 0.207380 0.316228 0.207376 14H 1pz -0.044066 0.026675 -0.120300 0.051447 0.120711 0.015834 14H 1px -0.002794 -0.022908 0.031886 0.033605 -0.024947 0.094359 14H 1py -0.035995 -0.035787 0.053363 0.157607 0.090712 0.005252 15H 1s 0.016790 0.012356 0.096309 0.017686 -0.088798 -0.216752 15H 2s -0.024586 0.030376 -0.346403 0.018017 0.395760 0.617834 15H 3s 0.080477 -0.031804 -0.118034 0.178538 0.285369 0.174960 15H 1pz -0.056056 -0.018130 0.007805 0.083547 0.030576 -0.051075 15H 1px -0.030536 -0.045842 0.097008 0.092751 -0.029624 0.046239 15H 1py 0.028135 -0.034244 0.106263 0.027169 -0.058499 -0.077835 16H 1s 0.022777 -0.060591 -0.035484 -0.107147 0.050045 0.048482 16H 2s -0.077198 0.215233 0.119239 0.395360 -0.147803 -0.182616 16H 3s -0.030884 -0.020638 -0.071420 -0.165471 -0.030713 0.036840 16H 1pz -0.051892 0.022307 0.044882 0.165100 -0.010591 -0.148409 16H 1px 0.050796 -0.098538 0.050710 0.009465 0.135619 -0.009008 16H 1py -0.000724 -0.017616 0.036637 0.059378 0.036061 -0.043444 17H 1s -0.037464 -0.090057 0.011862 -0.101496 0.080998 -0.050552 17H 2s 0.094558 0.308838 -0.054644 0.317034 -0.267356 0.162179 17H 3s -0.023203 -0.124399 0.039902 -0.090860 0.127348 -0.111304 17H 1pz 0.003393 -0.022193 0.024902 -0.012099 0.050377 -0.032136 17H 1px -0.081197 -0.038929 0.026992 -0.139118 0.037881 -0.044201 17H 1py 0.007677 0.069741 -0.054936 -0.009818 -0.073536 0.079354 18H 1s -0.029352 0.092702 -0.006097 0.084280 0.103935 -0.054443 18H 2s 0.062619 -0.318994 0.033451 -0.262376 -0.339873 0.169493 18H 3s -0.002731 0.133074 -0.030915 0.066590 0.150128 -0.115257 18H 1pz -0.018968 -0.030304 0.019001 -0.008731 -0.055367 0.033320 18H 1px 0.086466 -0.037729 0.020976 -0.129588 -0.072298 0.050162 18H 1py 0.013873 0.077706 -0.048867 -0.021745 0.071878 -0.072172 19H 1s 0.029087 0.056727 0.034194 0.087082 0.071968 0.038652 19H 2s -0.099798 -0.200421 -0.113878 -0.331470 -0.226262 -0.151482 19H 3s -0.023018 0.009341 0.065910 0.152247 0.006286 0.025042 19H 1pz 0.056616 0.013866 0.040645 0.148592 0.044030 0.136245 19H 1px -0.058186 -0.108142 0.048468 0.032522 -0.132157 0.011594 19H 1py 0.005738 -0.027416 0.034959 0.057199 -0.023684 0.040687 20H 1s 0.011864 -0.014083 -0.103061 -0.007766 -0.090484 -0.208547 20H 2s -0.007500 -0.022393 0.362412 -0.075357 0.379787 0.592004 20H 3s 0.090005 0.036402 0.120985 -0.232467 0.237834 0.169978 20H 1pz 0.061429 -0.019641 0.010037 0.091944 -0.012453 0.053097 20H 1px 0.035689 -0.042978 0.098100 0.082513 0.049627 -0.052291 20H 1py -0.028377 -0.032375 0.109021 0.018590 0.063053 0.068552 21H 1s 0.074090 0.050109 -0.067196 0.086718 -0.109173 -0.228345 21H 2s -0.108495 -0.040432 0.268894 -0.301988 0.343969 0.605959 21H 3s 0.086679 0.227775 0.093310 -0.269404 0.257676 0.208136 21H 1pz 0.041445 0.022897 -0.123320 0.075528 -0.107646 -0.007380 21H 1px 0.002167 -0.021432 0.031335 0.022281 0.033741 -0.097303 21H 1py 0.038170 -0.036603 0.055327 0.176653 -0.054224 -0.007803 22H 1s -0.113000 -0.133690 -0.201781 0.169687 -0.318497 -0.189728 22H 2s 0.135708 0.254274 0.363570 -0.311513 0.597833 0.387603 22H 3s -0.048009 -0.105138 0.099504 0.019870 0.066668 0.327471 22H 1pz 0.032721 -0.040900 0.019995 0.132280 -0.071176 0.002759 22H 1px 0.011400 -0.030478 0.148922 0.054117 0.081024 0.015684 22H 1py 0.032350 0.007834 -0.050097 0.095551 -0.035067 -0.011433 23H 1s -0.029258 -0.030074 0.114890 -0.071558 -0.133901 0.235280 23H 2s 0.103293 0.251821 -0.362605 0.218171 0.460877 -0.629744 23H 3s -0.156248 0.327847 -0.055976 0.005176 0.198798 -0.201826 23H 1pz -0.177266 0.126019 0.102769 0.087510 0.056300 0.009208 23H 1px 0.055464 0.023075 -0.057921 0.050441 0.068578 0.075025 23H 1py -0.025774 -0.068082 0.088515 -0.070616 -0.109461 0.066700 24H 1s -0.081601 -0.062515 0.137723 0.016900 -0.074784 0.237365 24H 2s 0.234577 0.098794 -0.445991 -0.035938 0.335790 -0.632641 24H 3s 0.075810 0.104636 -0.097490 -0.018172 0.171570 -0.183747 24H 1pz -0.084227 0.022018 0.129925 -0.023855 -0.066973 0.060671 24H 1px 0.075388 -0.003470 -0.045792 0.016888 0.017484 0.079536 24H 1py 0.165975 -0.102356 -0.106789 -0.110861 -0.025492 -0.033373 25H 1s -0.097877 -0.221580 0.235284 -0.055129 -0.246844 0.158876 25H 2s 0.206035 0.449178 -0.482095 0.135702 0.408863 -0.351305 25H 3s -0.006109 -0.051110 -0.154428 0.054812 0.039826 -0.389283 25H 1pz -0.016920 0.051113 0.001162 0.035934 0.053010 -0.014264 25H 1px 0.096448 0.052511 -0.141106 0.052218 0.075099 -0.026450 25H 1py 0.158292 -0.093092 -0.111341 -0.087371 -0.034973 -0.036862 26O 1s -0.000964 -0.002078 -0.001291 0.000704 0.001682 -0.001296 26O 2s -0.002117 -0.004294 -0.004623 0.001888 0.005117 -0.003941 26O 3s -0.004010 -0.016535 0.040656 -0.001219 -0.022953 0.012908 26O 4s 0.013586 0.254649 -0.148226 -0.049602 -0.070339 0.057832 26O 5s 0.191735 -0.327764 -0.110562 -0.010760 0.576952 0.091835 26O 1pz -0.069176 0.023014 -0.047535 -0.009544 -0.064625 0.002033 26O 1px -0.011019 0.056888 0.010096 -0.024658 -0.020872 -0.055419 26O 1py 0.020664 0.109770 0.010264 0.006985 -0.087388 -0.013706 26O 2pz 0.049478 -0.062192 0.037120 -0.007830 0.052612 0.032413 26O 2px -0.008828 -0.162862 0.066627 0.036777 0.041432 0.028358 26O 2py 0.005371 -0.136631 0.061268 0.038144 0.076522 0.023316 26O 3pz -0.378512 0.066063 -0.165966 -0.024506 -0.111857 -0.598140 26O 3px -0.206518 0.210461 0.015070 0.063505 -0.394121 -0.398125 26O 3py -0.216022 0.124475 -0.112179 -0.072710 -0.267916 -0.500750 26O 1dz2 0.000506 0.009644 0.002104 0.005200 -0.005575 -0.003766 26O 1dxz 0.003626 -0.000366 0.005428 0.003968 -0.001097 0.003818 26O 1dyz -0.006175 -0.002379 -0.005098 -0.002002 -0.003009 -0.000151 26O 1dx2y2 0.005048 -0.002410 0.003215 0.004552 0.001731 0.001376 26O 1dxy -0.000051 -0.006041 0.001910 0.001790 0.000480 0.004083 26O 2dz2 0.077581 0.235556 0.109754 0.144844 -0.112714 -0.233865 26O 2dxz 0.236079 0.002701 0.099976 0.085147 0.079113 0.102294 26O 2dyz -0.055974 -0.100821 -0.102346 -0.056107 0.040607 -0.084455 26O 2dx2y2 0.133032 -0.057041 0.070150 0.098247 0.042621 0.125702 26O 2dxy 0.062957 -0.184969 -0.036914 0.030825 0.100790 0.174911 26O 1f0 0.001797 0.000669 0.002874 -0.003588 0.001360 -0.005014 26O 1f+1 0.005820 0.007582 0.000008 0.001164 -0.002913 -0.005769 26O 1f-1 0.003019 0.000413 -0.000109 -0.000727 0.003611 0.000240 26O 1f+2 -0.004306 0.001173 -0.006252 -0.002231 -0.004815 0.004100 26O 1f-2 -0.005728 -0.010335 -0.005157 -0.002800 0.002925 0.004471 26O 1f+3 0.001646 0.003944 -0.002833 0.004893 -0.003824 0.003536 26O 1f-3 -0.000416 0.008785 0.000205 -0.004977 -0.001380 -0.005175 27O 1s 0.001108 -0.002956 0.001469 0.001040 0.001496 0.001812 27O 2s 0.002034 -0.006815 0.004556 0.001955 0.003466 0.005129 27O 3s 0.019731 -0.009763 -0.026367 0.008707 -0.004138 -0.011350 27O 4s -0.195736 0.279107 0.055045 -0.125850 -0.173394 -0.136109 27O 5s 0.078381 -0.266597 0.034631 0.469215 1.482813 0.297995 27O 1pz -0.021014 0.035859 0.040282 -0.045907 -0.073688 0.003125 27O 1px -0.041962 0.087724 -0.000439 -0.072830 -0.090830 0.031416 27O 1py 0.034059 -0.013978 -0.044354 0.000427 0.061922 0.005956 27O 2pz 0.038262 -0.046966 -0.051964 0.004016 0.064028 -0.028754 27O 2px 0.201164 -0.200544 -0.053381 0.098326 0.048288 -0.003002 27O 2py -0.069842 0.048684 0.035183 -0.046316 -0.054452 0.010415 27O 3pz -0.060353 0.064953 0.102012 0.081970 0.015758 0.435422 27O 3px -0.186729 0.115438 0.091316 -0.286550 -1.034468 0.221143 27O 3py 0.061134 0.085853 -0.343775 0.161463 0.320863 -0.515158 27O 1dz2 -0.006144 0.005243 0.000971 0.004071 -0.001710 0.000659 27O 1dxz -0.005329 0.001814 0.001451 0.002704 -0.001895 -0.003091 27O 1dyz 0.003007 0.000707 -0.005408 -0.002406 0.003546 -0.001840 27O 1dx2y2 0.004261 -0.004183 -0.001913 0.011132 0.007269 -0.003347 27O 1dxy 0.002582 0.001371 0.003065 -0.002684 -0.001774 0.002603 27O 2dz2 -0.110323 0.130903 0.022549 0.064330 -0.123952 0.072327 27O 2dxz -0.042818 0.006733 0.060204 0.097092 0.010344 -0.052146 27O 2dyz 0.012346 0.060412 -0.121675 -0.081231 -0.028964 -0.171309 27O 2dx2y2 0.050915 -0.158018 0.025041 0.310232 0.294078 -0.197551 27O 2dxy 0.045018 0.037034 0.105724 -0.127681 -0.200995 0.084909 27O 1f0 -0.003865 0.002812 -0.001947 -0.000463 -0.001680 0.003712 27O 1f+1 -0.008491 0.006453 -0.000274 -0.004377 -0.000871 0.004591 27O 1f-1 0.001370 -0.003781 0.002329 0.006151 0.001407 -0.000649 27O 1f+2 -0.000558 0.001034 0.000505 -0.006655 -0.006319 -0.002501 27O 1f-2 -0.007233 0.007323 0.001759 -0.000855 -0.005954 -0.002836 27O 1f+3 -0.002511 0.005254 0.002798 -0.006424 -0.002779 0.000863 27O 1f-3 0.005822 -0.011304 0.006178 0.006569 0.003256 -0.006279 28O 1s 0.003086 0.004051 0.005001 -0.003290 0.003166 -0.002286 28O 2s 0.007966 0.010779 0.011716 -0.007953 0.008603 -0.005344 28O 3s -0.018870 -0.025796 0.006468 -0.006105 -0.026561 -0.002938 28O 4s -0.052494 -0.132246 -0.384081 0.319804 -0.118576 0.207314 28O 5s -0.103998 0.067250 0.512010 -0.167752 1.004955 -0.446765 28O 1pz 0.057778 -0.004648 0.053572 0.041861 -0.031167 0.010026 28O 1px 0.044650 0.054578 0.087424 -0.031781 0.027417 -0.016059 28O 1py -0.010025 -0.042296 0.040905 -0.022394 0.000238 -0.003778 28O 2pz -0.010938 0.044221 0.059938 -0.122388 -0.029857 -0.097755 28O 2px -0.055082 -0.091723 -0.170032 0.157110 -0.003509 0.054448 28O 2py -0.013495 0.043327 -0.039277 -0.033553 -0.028663 -0.028219 28O 3pz 0.259520 0.185576 0.309357 0.020298 -0.449242 0.005411 28O 3px 0.143389 0.130900 0.354550 0.077336 0.482755 -0.125596 28O 3py -0.098192 -0.234201 0.170748 -0.143485 0.116586 -0.058495 28O 1dz2 -0.001584 0.006021 0.001472 -0.004192 0.004048 -0.002643 28O 1dxz 0.000827 -0.000049 -0.000644 0.004347 0.000597 0.004158 28O 1dyz 0.009664 0.003734 0.006767 0.000562 0.001244 -0.001836 28O 1dx2y2 -0.000058 0.005676 0.002866 -0.002332 -0.001107 -0.002411 28O 1dxy -0.000899 -0.001377 0.000660 -0.000598 0.002565 0.000489 28O 2dz2 -0.158675 -0.074567 -0.118477 -0.171314 0.082546 -0.029342 28O 2dxz 0.050834 -0.009731 -0.026012 0.114951 -0.153547 -0.012920 28O 2dyz 0.178664 0.129590 0.177198 0.036493 0.037716 -0.123752 28O 2dx2y2 0.101372 0.159624 0.148185 -0.029624 0.023072 -0.023694 28O 2dxy -0.117940 -0.142734 0.006391 -0.127636 0.062484 -0.040423 28O 1f0 0.000361 -0.002364 -0.002865 0.005775 -0.003751 -0.000867 28O 1f+1 -0.004038 -0.008119 -0.007673 0.004297 -0.002354 0.001358 28O 1f-1 -0.001377 0.002200 0.004387 -0.005667 -0.000554 -0.006889 28O 1f+2 0.008172 0.002391 0.010524 -0.007492 0.002734 -0.000917 28O 1f-2 -0.000842 -0.006819 -0.000231 0.002590 0.000397 0.002537 28O 1f+3 0.002859 -0.000001 0.006342 -0.002150 0.000343 -0.001913 28O 1f-3 -0.001775 -0.001090 0.000718 -0.001159 0.001010 -0.002479 29O 1s 0.000260 -0.012443 -0.001451 -0.003027 0.008951 -0.001369 29O 2s 0.000669 -0.039177 -0.004347 -0.012749 0.029059 -0.003692 29O 3s -0.000955 0.217206 0.019315 0.149339 -0.182157 0.003959 29O 4s -0.009484 -0.147606 0.004427 -0.429843 0.264690 0.057978 29O 5s -0.005879 -0.507999 -0.076468 0.068820 -0.023384 -0.061564 29O 1pz 0.018972 -0.008369 -0.008323 -0.006717 0.000106 0.024485 29O 1px 0.013423 0.051030 -0.007618 0.034159 -0.010151 0.009171 29O 1py -0.009167 -0.040911 -0.010850 -0.033780 0.071617 -0.051395 29O 2pz -0.089468 -0.001350 0.092566 0.109132 0.037228 -0.199427 29O 2px -0.035422 -0.164331 0.028982 -0.104533 0.109469 -0.059025 29O 2py 0.019909 0.093661 0.009453 0.154914 -0.132049 0.050647 29O 3pz 0.000217 -0.060888 -0.042072 -0.007754 -0.024941 0.050756 29O 3px 0.019486 0.365388 0.010288 0.015240 -0.117424 0.073427 29O 3py -0.017831 0.087250 0.004259 0.065576 -0.061064 -0.008588 29O 1dz2 -0.001357 0.001754 -0.000068 0.001298 -0.001857 -0.003107 29O 1dxz 0.000904 0.002487 -0.001401 0.000844 -0.003682 0.002713 29O 1dyz -0.000759 0.000494 0.001155 0.003553 0.000837 -0.003890 29O 1dx2y2 0.001027 -0.005188 -0.001737 -0.002803 0.005878 0.000077 29O 1dxy -0.000753 -0.003446 0.001644 -0.003331 0.002165 0.000655 29O 2dz2 -0.036083 0.026385 -0.007405 -0.033305 -0.032235 -0.016402 29O 2dxz 0.050396 -0.048425 0.056935 0.038835 0.090209 -0.016267 29O 2dyz 0.043751 -0.009611 0.002351 0.044632 0.025998 0.013932 29O 2dx2y2 0.030247 -0.106029 -0.016127 0.040037 0.055245 -0.036937 29O 2dxy 0.008994 -0.074335 0.033333 -0.035735 0.061346 -0.000696 29O 1f0 -0.000745 0.006615 0.001679 0.015255 -0.005466 -0.004701 29O 1f+1 -0.001210 -0.003242 0.000994 -0.004739 0.003444 -0.001993 29O 1f-1 -0.003504 0.004506 0.004280 0.017099 -0.004346 -0.009275 29O 1f+2 0.000524 -0.001406 -0.001381 -0.006439 -0.000874 0.005374 29O 1f-2 0.006002 0.007331 -0.005459 0.009599 -0.007625 0.008161 29O 1f+3 -0.001497 -0.001096 0.003008 0.000584 0.000089 -0.002127 29O 1f-3 -0.003891 -0.003206 0.001628 -0.001474 0.004726 -0.007741 30O 1s -0.001544 0.005319 -0.003137 -0.003640 0.004484 0.001761 30O 2s -0.003639 0.013824 -0.006880 -0.010265 0.012518 0.003738 30O 3s 0.001382 -0.031319 -0.010692 0.032032 -0.034793 0.011545 30O 4s 0.079837 -0.197958 0.282106 0.078646 -0.223760 -0.251965 30O 5s 0.650531 0.526310 -0.660431 0.147790 1.167159 0.816877 30O 1pz 0.001699 -0.068500 0.015484 0.027970 -0.008095 -0.024045 30O 1px 0.007903 0.047104 -0.074820 -0.031359 0.034167 0.018699 30O 1py -0.001707 0.006566 0.065480 0.029365 0.033825 -0.012741 30O 2pz -0.118591 0.098101 -0.017425 -0.018719 -0.017669 0.059454 30O 2px 0.092614 -0.082387 0.122041 0.047886 -0.070653 -0.035189 30O 2py 0.121953 -0.037467 0.005603 0.010482 0.003845 -0.041080 30O 3pz -0.004259 -0.282941 -0.032104 -0.016033 0.034975 -0.048337 30O 3px 0.219747 0.209207 -0.429440 0.059808 0.522160 0.328907 30O 3py -0.209151 0.088059 0.090350 0.491390 0.128614 -0.086414 30O 1dz2 0.006833 -0.003586 -0.000879 0.001230 -0.001045 -0.000877 30O 1dxz 0.005242 -0.005868 -0.001141 0.002136 0.003468 -0.001728 30O 1dyz 0.000723 -0.006748 0.007216 0.003246 -0.001104 -0.003487 30O 1dx2y2 -0.002875 -0.002412 -0.002828 0.002064 0.000718 0.000485 30O 1dxy -0.005159 0.002713 0.000138 0.004228 -0.000922 0.001548 30O 2dz2 0.083623 -0.003156 -0.027189 -0.098301 -0.093374 -0.079372 30O 2dxz -0.007323 -0.208660 0.060923 0.118351 0.063087 0.007634 30O 2dyz 0.038570 -0.147984 0.199789 0.027449 -0.100480 -0.119034 30O 2dx2y2 0.004312 0.040384 -0.141507 -0.102696 0.007908 0.015014 30O 2dxy -0.069166 0.080859 -0.007191 0.210987 0.072723 -0.075113 30O 1f0 0.005081 -0.005021 0.008219 0.003232 -0.001084 -0.004280 30O 1f+1 -0.001816 -0.001559 0.000247 -0.000083 0.003363 0.002816 30O 1f-1 0.006238 -0.006450 -0.001347 0.000273 0.001620 -0.000860 30O 1f+2 0.003719 -0.001120 0.000380 0.001854 0.003218 -0.002757 30O 1f-2 -0.007142 0.009304 -0.009096 -0.002355 0.001753 0.001539 30O 1f+3 0.000227 -0.003132 0.001181 0.004856 0.002760 0.002129 30O 1f-3 -0.003631 0.003860 -0.005258 0.001348 0.005184 -0.002717 31O 1s -0.001654 -0.005185 0.003313 0.002729 0.005241 0.001456 31O 2s -0.004026 -0.013471 0.007380 0.007680 0.014685 0.002959 31O 3s 0.003916 0.030700 0.008685 -0.024394 -0.042407 0.012915 31O 4s 0.070983 0.189606 -0.285538 -0.039537 -0.232241 -0.239113 31O 5s 0.702720 -0.485237 0.696570 -0.337091 1.108843 0.785813 31O 1pz -0.001563 -0.068468 0.016750 0.026553 0.015590 0.020142 31O 1px -0.009706 0.044524 -0.076280 -0.024899 -0.040938 -0.012967 31O 1py 0.001510 0.007691 0.064786 0.037095 -0.027631 0.009746 31O 2pz 0.120782 0.099542 -0.017544 -0.022543 0.010255 -0.053210 31O 2px -0.092339 -0.079744 0.122443 0.032138 0.078935 0.028296 31O 2py -0.123083 -0.039455 0.006068 0.011723 0.000166 0.038557 31O 3pz 0.021614 -0.282789 -0.021438 0.003638 -0.025295 0.036698 31O 3px -0.246686 0.186467 -0.443800 0.145664 -0.494174 -0.310082 31O 3py 0.197406 0.089987 0.081179 0.503306 -0.028783 0.087068 31O 1dz2 0.006941 0.003577 0.000900 -0.000908 -0.001344 -0.000732 31O 1dxz 0.005119 0.005950 0.001124 -0.002949 0.002759 -0.001453 31O 1dyz 0.000464 0.006599 -0.007428 -0.003218 -0.001821 -0.002991 31O 1dx2y2 -0.003015 0.002433 0.002782 -0.002094 0.000223 0.000584 31O 1dxy -0.005063 -0.002823 -0.000104 -0.003868 -0.001700 0.001415 31O 2dz2 0.084237 0.000556 0.025682 0.114809 -0.069994 -0.079804 31O 2dxz -0.013775 0.208100 -0.065431 -0.134142 0.031095 0.018619 31O 2dyz 0.027393 0.144216 -0.205962 -0.014317 -0.104460 -0.110788 31O 2dx2y2 0.004049 -0.034894 0.140128 0.101630 0.028997 0.005211 31O 2dxy -0.069082 -0.081827 0.010383 -0.223540 0.030059 -0.078942 31O 1f0 -0.004929 -0.005059 0.008449 0.003137 0.001838 0.003813 31O 1f+1 0.001732 -0.001644 0.000181 0.000537 -0.003215 -0.002640 31O 1f-1 -0.006406 -0.006542 -0.001388 0.000543 -0.001319 0.000846 31O 1f+2 -0.003820 -0.001243 0.000342 0.002589 -0.002671 0.002645 31O 1f-2 0.007207 0.009175 -0.009153 -0.001975 -0.002363 -0.000881 31O 1f+3 -0.000375 -0.003082 0.001212 0.005300 -0.001589 -0.002077 31O 1f-3 0.003427 0.003713 -0.005327 0.002519 -0.004812 0.003250 32O 1s 0.000574 0.012407 0.001671 0.000962 0.009238 -0.001384 32O 2s 0.001855 0.039032 0.005099 0.005951 0.030714 -0.003941 32O 3s -0.013060 -0.215610 -0.024979 -0.104080 -0.209680 0.010122 32O 4s 0.017117 0.143987 0.006286 0.356527 0.359072 0.032335 32O 5s 0.016220 0.504834 0.077027 -0.063604 -0.049298 -0.046235 32O 1pz -0.019797 -0.006105 -0.006085 -0.003470 0.000326 -0.021851 32O 1px -0.012692 0.052233 -0.006529 0.031854 0.018475 -0.011957 32O 1py 0.004414 -0.042105 -0.011425 -0.014120 -0.078141 0.052579 32O 2pz 0.087903 -0.019354 0.080756 0.091938 -0.022581 0.185862 32O 2px 0.019833 -0.169254 0.020257 -0.083295 -0.133334 0.060455 32O 2py -0.002191 0.093424 0.015681 0.119947 0.164833 -0.053921 32O 3pz -0.001508 -0.052985 -0.040128 -0.004851 0.023589 -0.053541 32O 3px -0.001728 0.366979 0.014190 -0.012335 0.113880 -0.068780 32O 3py 0.017348 0.087817 0.004858 0.051602 0.072610 0.006615 32O 1dz2 -0.001556 -0.001594 0.000178 -0.000493 -0.002078 -0.002809 32O 1dxz 0.000625 -0.002634 0.001196 -0.000091 -0.003897 0.002530 32O 1dyz -0.000627 -0.000170 -0.000993 -0.003417 0.000215 -0.003766 32O 1dx2y2 0.001415 0.005084 0.001889 0.001311 0.006196 0.000154 32O 1dxy -0.000411 0.003491 -0.001360 0.002967 0.002841 0.000700 32O 2dz2 -0.043454 -0.031295 0.005533 0.035069 -0.023518 -0.018850 32O 2dxz 0.056714 0.058248 -0.055200 -0.050831 0.080858 -0.016605 32O 2dyz 0.050256 0.017180 -0.003633 -0.045451 0.015535 0.014241 32O 2dx2y2 0.050363 0.107278 0.017894 -0.053208 0.041209 -0.030643 32O 2dxy 0.014121 0.078757 -0.033645 0.019561 0.070452 -0.003319 32O 1f0 0.001423 0.006067 0.001665 0.012489 0.008270 0.003339 32O 1f+1 0.000871 -0.003802 0.000782 -0.004682 -0.005059 0.002398 32O 1f-1 0.004786 0.004100 0.004139 0.015201 0.008399 0.008005 32O 1f+2 -0.000518 -0.001369 -0.001352 -0.006859 -0.001039 -0.004775 32O 1f-2 -0.004762 0.007826 -0.004528 0.008212 0.009836 -0.008354 32O 1f+3 0.001043 -0.001044 0.002627 0.000459 0.000196 0.001634 32O 1f-3 0.003413 -0.003572 0.001351 -0.000460 -0.005138 0.007770 33O 1s 0.002966 -0.003962 -0.004947 0.002579 0.004047 -0.002551 33O 2s 0.007578 -0.010543 -0.011579 0.006033 0.010782 -0.006036 33O 3s -0.016384 0.025441 -0.006561 0.012046 -0.026313 -0.001259 33O 4s -0.066333 0.129816 0.381234 -0.290757 -0.191533 0.216195 33O 5s -0.017165 -0.075700 -0.497669 -0.068856 1.018448 -0.492453 33O 1pz -0.053841 -0.005508 0.052785 0.031847 0.037146 -0.010688 33O 1px -0.046152 0.053163 0.086325 -0.025130 -0.037440 0.021892 33O 1py 0.012184 -0.042180 0.042610 -0.022455 -0.005697 0.004080 33O 2pz 0.010622 0.042844 0.062376 -0.124873 0.001099 0.102109 33O 2px 0.056761 -0.088591 -0.168923 0.155715 0.042223 -0.061229 33O 2py 0.010552 0.042253 -0.039018 -0.038546 0.020532 0.030687 33O 3pz -0.234632 0.183161 0.304212 -0.095680 0.424514 -0.033167 33O 3px -0.179680 0.124578 0.346750 0.181596 -0.461366 0.143763 33O 3py 0.124073 -0.234767 0.163848 -0.122865 -0.144159 0.051867 33O 1dz2 -0.001106 -0.005832 -0.001447 0.003184 0.004987 -0.002816 33O 1dxz 0.000804 0.000127 0.000804 -0.004142 -0.000322 0.004703 33O 1dyz 0.009086 -0.003666 -0.006696 -0.000640 0.001419 -0.001986 33O 1dx2y2 0.000562 -0.005611 -0.002951 0.002401 -0.000442 -0.002562 33O 1dxy -0.001147 0.001474 -0.000527 0.000179 0.002610 0.000519 33O 2dz2 -0.146270 0.072122 0.115858 0.145771 0.109339 -0.032377 33O 2dxz 0.043471 0.010289 0.026317 -0.071340 -0.171883 0.006513 33O 2dyz 0.184812 -0.129669 -0.175739 -0.044659 0.034224 -0.124292 33O 2dx2y2 0.113204 -0.156297 -0.150165 0.022862 0.036275 -0.029492 33O 2dxy -0.128941 0.144640 -0.003640 0.116068 0.085944 -0.039163 33O 1f0 0.000120 -0.002176 -0.002763 0.004917 0.004995 0.000388 33O 1f+1 0.003942 -0.007875 -0.007638 0.003730 0.003493 -0.001678 33O 1f-1 0.001194 0.002125 0.004445 -0.005553 -0.000796 0.007301 33O 1f+2 -0.007917 0.002161 0.010346 -0.006880 -0.004496 0.001557 33O 1f-2 0.000835 -0.006682 -0.000325 0.002658 0.000326 -0.002758 33O 1f+3 -0.003098 -0.000034 0.006451 -0.002071 -0.000979 0.002134 33O 1f-3 0.001588 -0.000997 0.000636 -0.000795 -0.001157 0.002413 34O 1s 0.000846 0.002932 -0.001402 -0.001196 0.001239 0.001761 34O 2s 0.001313 0.006732 -0.004363 -0.002257 0.002983 0.005137 34O 3s 0.020717 0.010537 0.025474 -0.008715 -0.006247 -0.014253 34O 4s -0.178302 -0.286335 -0.057459 0.151533 -0.140553 -0.114991 34O 5s 0.091495 0.301464 -0.012727 -0.753222 1.331802 0.285050 34O 1pz 0.022836 0.036524 0.041290 -0.062232 0.060663 0.000522 34O 1px 0.041587 0.090830 -0.000979 -0.091909 0.070433 -0.026605 34O 1py -0.037083 -0.016235 -0.045857 0.014549 -0.060801 -0.006017 34O 2pz -0.040884 -0.048639 -0.051912 0.019438 -0.059044 0.024296 34O 2px -0.190460 -0.204744 -0.052343 0.106588 -0.024086 0.006439 34O 2py 0.069130 0.051909 0.035216 -0.058974 0.043207 -0.008751 34O 3pz 0.065014 0.064583 0.099451 0.065620 -0.000449 -0.425765 34O 3px 0.214601 0.135980 0.101709 -0.512241 0.938557 -0.223801 34O 3py -0.079676 0.078392 -0.345530 0.249642 -0.277797 0.518123 34O 1dz2 -0.006349 -0.005343 -0.001066 -0.003736 -0.002344 0.000731 34O 1dxz -0.005496 -0.001929 -0.001597 -0.002397 -0.002351 -0.003129 34O 1dyz 0.003138 -0.000416 0.005463 0.001576 0.003918 -0.001821 34O 1dx2y2 0.004299 0.004466 0.001887 -0.012659 0.004667 -0.003201 34O 1dxy 0.002585 -0.001405 -0.003035 0.002981 -0.001093 0.002803 34O 2dz2 -0.117177 -0.135327 -0.025720 -0.037252 -0.130277 0.072584 34O 2dxz -0.048482 -0.009413 -0.059179 -0.101101 -0.008728 -0.046897 34O 2dyz 0.018114 -0.059163 0.120374 0.080067 -0.011613 -0.170089 34O 2dx2y2 0.052672 0.165570 -0.026469 -0.375405 0.215990 -0.187405 34O 2dxy 0.044095 -0.041458 -0.109675 0.169739 -0.169732 0.091471 34O 1f0 0.003597 0.002889 -0.002089 -0.000961 0.001472 -0.003363 34O 1f+1 0.008168 0.006499 -0.000336 -0.004554 -0.000120 -0.004547 34O 1f-1 -0.001266 -0.003792 0.002429 0.006440 -0.000060 0.000621 34O 1f+2 0.000499 0.001246 0.000585 -0.007777 0.004732 0.002331 34O 1f-2 0.007167 0.007552 0.001796 -0.002069 0.005431 0.002977 34O 1f+3 0.002231 0.005279 0.002807 -0.006799 0.001214 -0.001077 34O 1f-3 -0.005309 -0.011270 0.006320 0.007505 -0.001638 0.005993 35O 1s -0.001279 0.002022 0.001254 -0.001146 0.001495 -0.001286 35O 2s -0.003024 0.004150 0.004498 -0.003242 0.004574 -0.003806 35O 3s -0.001375 0.017292 -0.039826 0.007933 -0.021174 0.010489 35O 4s 0.026830 -0.256191 0.144871 0.060033 -0.063609 0.070805 35O 5s 0.195167 0.301344 0.134084 -0.119006 0.530100 0.094749 35O 1pz 0.072243 0.025173 -0.044581 -0.022466 0.062163 -0.003691 35O 1px 0.013073 0.056326 0.011290 -0.028485 0.012777 0.058755 35O 1py -0.018335 0.109012 0.011880 -0.011674 0.083049 0.014172 35O 2pz -0.051018 -0.064751 0.034267 0.001364 -0.053335 -0.031985 35O 2px 0.013776 -0.165861 0.065507 0.043241 -0.035204 -0.023480 35O 2py -0.004680 -0.137365 0.059233 0.052057 -0.065808 -0.022961 35O 3pz 0.366086 0.071015 -0.151826 -0.041089 0.100557 0.587406 35O 3px 0.216968 0.198397 0.034022 -0.022599 0.378114 0.391482 35O 3py 0.235775 0.119866 -0.104970 -0.127998 0.235693 0.504019 35O 1dz2 0.000857 -0.009868 -0.002322 -0.003955 -0.006311 -0.003331 35O 1dxz 0.003664 0.000359 -0.005381 -0.003523 -0.001776 0.003710 35O 1dyz -0.006555 0.002221 0.004979 0.002467 -0.002597 -0.000279 35O 1dx2y2 0.005483 0.002227 -0.003132 -0.004880 0.000660 0.001531 35O 1dxy 0.000120 0.005978 -0.001941 -0.001885 0.000024 0.004073 35O 2dz2 0.076135 -0.235810 -0.115708 -0.119413 -0.130058 -0.228289 35O 2dxz 0.230583 -0.000772 -0.094867 -0.099583 0.059587 0.094510 35O 2dyz -0.062409 0.098777 0.103741 0.043871 0.048035 -0.091054 35O 2dx2y2 0.137853 0.053248 -0.066112 -0.106028 0.017693 0.130986 35O 2dxy 0.076084 0.180825 0.036852 -0.052851 0.083986 0.176920 35O 1f0 -0.001719 0.000558 0.002874 -0.003174 -0.002193 0.005355 35O 1f+1 -0.005691 0.007542 0.000096 0.000566 0.002919 0.005421 35O 1f-1 -0.003038 0.000240 -0.000238 -0.000157 -0.003666 -0.000343 35O 1f+2 0.004686 0.001271 -0.006107 -0.003159 0.004356 -0.004168 35O 1f-2 0.005797 -0.010221 -0.005384 -0.002217 -0.003046 -0.004654 35O 1f+3 -0.001437 0.004016 -0.002902 0.003886 0.004767 -0.003939 35O 1f-3 0.000399 0.008773 0.000222 -0.005138 0.000224 0.005063 408 409 410 411 412 413 2.23446 2.23636 2.24431 2.24624 2.25510 2.25666 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s -0.001364 -0.001603 -0.000929 -0.002751 0.001257 0.003001 0Rh 2s 0.008583 0.009819 0.007517 0.009099 -0.009927 -0.021573 0Rh 3s -0.002799 -0.003454 -0.000890 -0.010659 0.001342 0.004527 0Rh 4s -0.043337 -0.049611 -0.038302 -0.045433 0.050062 0.109901 0Rh 5s 0.071255 0.080940 0.074124 0.034590 -0.089079 -0.203340 0Rh 6s -0.006214 -0.005988 -0.059326 0.172863 0.028463 0.131923 0Rh 7s -0.199377 -0.217435 0.191759 -1.004746 0.038021 -0.610747 0Rh 8s -0.547332 -0.565970 -0.370018 0.142324 0.758239 0.459345 0Rh 1pz 0.001539 0.002022 -0.000068 -0.004055 0.002042 0.002825 0Rh 1px -0.000996 -0.002173 0.000994 -0.005047 -0.016195 -0.007122 0Rh 1py 0.000193 -0.000767 -0.002973 0.000300 -0.002858 -0.004317 0Rh 2pz -0.005341 -0.007105 0.000305 0.014483 -0.007803 -0.009729 0Rh 2px 0.004151 0.008532 -0.003494 0.017422 0.058409 0.024557 0Rh 2py -0.000439 0.002838 0.010906 -0.001085 0.010196 0.014762 0Rh 3pz 0.002004 0.004414 -0.001580 -0.013235 0.017754 0.001695 0Rh 3px -0.016170 -0.023863 0.002399 -0.003777 -0.065352 -0.005036 0Rh 3py -0.004772 -0.004690 -0.016108 0.001252 -0.009239 -0.000166 0Rh 4pz 0.027296 0.029410 0.005479 -0.044685 -0.018482 0.058948 0Rh 4px 0.038295 0.039370 0.011267 -0.104685 -0.136144 -0.142769 0Rh 4py 0.022682 -0.000026 -0.007651 0.001476 -0.032045 -0.098833 0Rh 5pz -0.045096 -0.049230 -0.022303 0.064829 0.026192 -0.106017 0Rh 5px -0.077065 -0.076895 -0.001048 0.203765 0.274019 0.232367 0Rh 5py -0.042208 0.000322 -0.001460 0.004266 0.067351 0.171768 0Rh 6pz -0.356609 -0.411349 0.393664 1.294490 -0.061176 0.314983 0Rh 6px 0.440349 0.451936 -0.246497 -0.168162 -0.327044 0.170939 0Rh 6py 0.147064 0.064963 1.091798 -0.199097 -0.934824 0.123948 0Rh 1dz2 0.002053 0.002112 0.005833 0.016916 -0.004832 -0.001694 0Rh 1dxz 0.001029 0.002421 -0.009466 -0.023212 -0.012658 -0.024448 0Rh 1dyz 0.003217 -0.003604 -0.002286 -0.008266 0.005359 -0.004817 0Rh 1dx2y2 -0.000399 0.000569 -0.000439 -0.012301 0.003648 0.011891 0Rh 1dxy 0.002743 0.000368 -0.033347 0.009914 -0.009290 -0.002702 0Rh 2dz2 0.000068 0.000918 -0.000413 -0.000103 0.002185 0.001306 0Rh 2dxz -0.000892 -0.000803 -0.000515 0.003237 0.003272 0.002039 0Rh 2dyz -0.000947 0.001125 0.001224 0.000705 0.000916 0.002799 0Rh 2dx2y2 -0.000006 -0.000542 0.000700 -0.000610 -0.004130 -0.002360 0Rh 2dxy -0.000389 0.000348 0.003319 -0.001463 -0.001872 0.001669 0Rh 3dz2 -0.005781 -0.009738 -0.013872 -0.045027 0.002907 -0.001114 0Rh 3dxz 0.001146 -0.003039 0.027483 0.047523 0.018957 0.056857 0Rh 3dyz -0.004414 0.004704 0.000618 0.018923 -0.018486 0.000363 0Rh 3dx2y2 0.001152 0.001027 -0.001837 0.036176 0.009209 -0.022061 0Rh 3dxy -0.005632 -0.002539 0.074665 -0.019891 0.033354 -0.000265 0Rh 4dz2 0.000907 0.012373 -0.006163 -0.001289 0.037852 0.017446 0Rh 4dxz -0.012911 -0.010687 -0.004099 0.054265 0.057310 0.029423 0Rh 4dyz -0.012509 0.013885 0.017780 0.012998 0.013368 0.042760 0Rh 4dx2y2 0.000028 -0.009575 0.009433 -0.014211 -0.071059 -0.027138 0Rh 4dxy -0.004654 0.004483 0.051418 -0.024875 -0.026532 0.025813 0Rh 5dz2 -0.015755 0.002517 0.070510 0.077498 -0.206424 -0.089039 0Rh 5dxz 0.075623 0.064573 -0.022317 -0.323353 -0.339701 -0.248653 0Rh 5dyz -0.010974 0.033885 -0.037077 -0.098245 -0.036546 -0.177161 0Rh 5dx2y2 -0.031366 0.036734 -0.056559 0.018330 0.374101 0.172225 0Rh 5dxy -0.014395 0.010204 -0.324676 0.140108 0.044700 -0.079256 0Rh 1f0 -0.065153 0.112080 -0.074691 -0.201528 0.122608 0.063492 0Rh 1f+1 0.072695 -0.140600 -0.007823 -0.028644 -0.027030 -0.104975 0Rh 1f-1 -0.066131 0.173814 0.047026 0.063757 -0.024299 0.039867 0Rh 1f+2 -0.088476 0.030574 0.093174 0.082357 -0.195917 -0.067261 0Rh 1f-2 0.217096 -0.243326 0.110237 0.053567 -0.023594 0.077497 0Rh 1f+3 -0.003621 0.036010 0.096800 0.148674 -0.192877 -0.148047 0Rh 1f-3 -0.237775 0.014506 -0.181917 0.107654 -0.060419 -0.098420 1Rh 1s 0.001382 0.001675 -0.000857 -0.002654 -0.000314 0.003277 1Rh 2s -0.008664 -0.010207 0.007175 0.008359 0.001755 -0.023650 1Rh 3s 0.002851 0.003642 -0.000674 -0.010544 -0.000770 0.004880 1Rh 4s 0.043744 0.051574 -0.036553 -0.041724 -0.008363 0.120283 1Rh 5s -0.071800 -0.083946 0.071394 0.028342 0.006050 -0.220249 1Rh 6s 0.005671 0.005385 -0.058826 0.172817 0.047578 0.128274 1Rh 7s 0.207853 0.229521 0.195445 -0.985081 -0.403834 -0.530213 1Rh 8s 0.558670 0.581871 -0.372405 0.236350 -0.493256 0.703609 1Rh 1pz 0.001621 0.002027 0.000280 0.003712 0.001212 -0.003213 1Rh 1px -0.001141 -0.002337 -0.002014 0.006400 -0.011513 0.012468 1Rh 1py 0.000199 -0.000692 0.002638 -0.000134 -0.001116 0.004796 1Rh 2pz -0.005631 -0.007117 -0.001095 -0.013220 -0.004923 0.011311 1Rh 2px 0.004656 0.009104 0.007243 -0.022330 0.042054 -0.043928 1Rh 2py -0.000459 0.002575 -0.009735 0.000496 0.004243 -0.016570 1Rh 3pz 0.002196 0.004362 0.003057 0.011339 0.016751 -0.007130 1Rh 3px -0.016403 -0.024118 -0.008086 0.009870 -0.057625 0.028515 1Rh 3py -0.004779 -0.004559 0.015562 -0.000868 -0.009203 0.003854 1Rh 4pz 0.028475 0.029732 -0.006188 0.043657 -0.033789 -0.047980 1Rh 4px 0.035732 0.036374 -0.013942 0.113761 -0.057317 0.181008 1Rh 4py 0.022904 0.001274 0.001747 0.001102 0.008113 0.096086 1Rh 5pz -0.047397 -0.050222 0.023678 -0.061988 0.055313 0.088893 1Rh 5px -0.071754 -0.070308 0.007718 -0.223449 0.138035 -0.313241 1Rh 5py -0.042916 -0.002275 0.013410 -0.010231 -0.004880 -0.169492 1Rh 6pz -0.348380 -0.394216 -0.436016 -1.282537 -0.304615 -0.225306 1Rh 6px 0.433872 0.440984 0.246454 0.211624 -0.356446 -0.033406 1Rh 6py 0.147568 0.062023 -1.141025 0.293615 -0.833793 0.182958 1Rh 1dz2 -0.001885 -0.002148 0.005603 0.016386 0.004872 -0.003410 1Rh 1dxz -0.000915 -0.002230 -0.009674 -0.023835 0.001105 -0.027289 1Rh 1dyz -0.002569 0.004414 -0.002492 -0.007496 -0.007245 -0.002388 1Rh 1dx2y2 0.000413 -0.000298 -0.001080 -0.011924 0.000312 0.012434 1Rh 1dxy -0.002350 0.000102 -0.033272 0.008868 0.010315 -0.006619 1Rh 2dz2 0.000017 -0.000804 -0.000529 0.000112 -0.001530 0.002037 1Rh 2dxz 0.000904 0.000817 -0.000667 0.003531 -0.001869 0.002954 1Rh 2dyz 0.001133 -0.000926 0.001241 0.000721 0.000157 0.002946 1Rh 2dx2y2 0.000010 0.000532 0.001087 -0.001039 0.002794 -0.003671 1Rh 2dxy 0.000438 -0.000278 0.003413 -0.001679 0.002009 0.000876 1Rh 3dz2 0.004947 0.009326 -0.012716 -0.044601 -0.005923 0.000120 1Rh 3dxz -0.001497 0.002484 0.028757 0.047832 0.005862 0.060212 1Rh 3dyz 0.001841 -0.007772 0.001082 0.016790 0.018728 -0.006817 1Rh 3dx2y2 -0.001217 -0.001726 -0.001896 0.037152 -0.014017 -0.017428 1Rh 3dxy 0.004353 0.000957 0.074020 -0.016113 -0.036729 0.013809 1Rh 4dz2 0.000428 -0.010630 -0.008185 0.002497 -0.028212 0.030166 1Rh 4dxz 0.012990 0.010677 -0.006930 0.059489 -0.035733 0.046483 1Rh 4dyz 0.015417 -0.010777 0.018310 0.013102 0.003181 0.044754 1Rh 4dx2y2 0.000174 0.009650 0.015990 -0.021751 0.052643 -0.050450 1Rh 4dxy 0.005483 -0.003320 0.053135 -0.028034 0.028592 0.014634 1Rh 5dz2 0.010347 -0.010507 0.078985 0.056821 0.159137 -0.156601 1Rh 5dxz -0.075238 -0.063386 -0.009913 -0.351906 0.188705 -0.349669 1Rh 5dyz 0.000757 -0.044241 -0.043799 -0.095677 -0.035998 -0.176601 1Rh 5dx2y2 0.030157 -0.036072 -0.088452 0.057585 -0.269510 0.292264 1Rh 5dxy 0.011759 -0.013503 -0.332269 0.146359 -0.037788 -0.062337 1Rh 1f0 -0.067044 0.107770 0.081903 0.189266 0.105272 -0.104577 1Rh 1f+1 0.073384 -0.137979 -0.003124 0.029685 0.012921 0.110728 1Rh 1f-1 -0.064051 0.175610 -0.043860 -0.058947 -0.047694 -0.027644 1Rh 1f+2 -0.085969 0.035906 -0.107380 -0.064922 -0.157345 0.134645 1Rh 1f-2 0.221502 -0.238278 -0.115180 -0.051734 -0.049042 -0.062273 1Rh 1f+3 -0.000489 0.041815 -0.107280 -0.129545 -0.138577 0.210800 1Rh 1f-3 -0.240521 0.012191 0.173907 -0.103469 -0.039584 0.116910 2C 1s -0.000757 -0.002645 0.002408 -0.000825 -0.001336 -0.003869 2C 2s 0.003915 0.001535 0.000763 0.009562 0.002124 -0.007168 2C 3s -0.004289 0.004957 0.059561 -0.166494 -0.055138 0.058439 2C 4s -0.055072 0.020484 -0.591459 0.583823 0.282293 0.093333 2C 5s -1.527263 -2.187170 3.415309 -2.636172 -2.096904 -0.056465 2C 1pz 0.083533 0.103323 -0.044497 0.051860 0.012165 0.059312 2C 1px -0.101554 -0.046398 0.013949 0.074338 -0.009081 -0.011009 2C 1py 0.022055 0.056700 -0.082822 -0.012445 0.091996 0.063876 2C 2pz -0.073242 0.089410 -0.421377 0.355925 0.178433 0.244532 2C 2px 0.390481 0.130187 0.146250 0.105935 0.191087 0.108675 2C 2py 0.026943 0.000098 -0.089362 0.339618 -0.058527 0.149664 2C 3pz -0.277665 -0.466941 0.764426 -0.475698 -0.433956 0.003843 2C 3px -0.208104 -0.089862 0.257207 -0.177848 -0.036365 -0.201301 2C 3py -0.269071 -0.342539 0.440808 -0.418508 -0.227790 0.028806 2C 1dz2 -0.020459 0.014348 -0.016154 -0.023582 0.008043 -0.019061 2C 1dxz 0.021603 -0.045264 -0.008115 -0.001161 0.010977 -0.022488 2C 1dyz -0.012438 -0.018257 0.011207 -0.013865 -0.016516 -0.017676 2C 1dx2y2 0.017624 0.016363 0.017526 0.009177 0.010472 0.021701 2C 1dxy 0.009765 -0.042984 0.003503 0.002233 -0.027929 -0.008386 2C 2dz2 -0.029419 -0.052581 -0.140556 0.077176 0.008168 0.078836 2C 2dxz 0.072433 0.268219 0.014428 -0.053773 0.039280 0.153693 2C 2dyz -0.007822 -0.079831 -0.033642 0.228809 0.056767 0.093781 2C 2dx2y2 -0.004805 -0.158799 0.077647 0.035673 0.010322 -0.033707 2C 2dxy 0.074296 0.195337 0.073409 0.057892 0.063467 0.050889 2C 1f0 -0.003103 -0.005162 0.046673 -0.014538 0.029567 -0.003730 2C 1f+1 0.021029 0.002711 0.018023 0.046707 0.000055 -0.004877 2C 1f-1 -0.009105 0.021867 -0.072059 -0.002821 0.002663 0.004171 2C 1f+2 0.025974 0.051311 -0.079702 0.031500 0.019891 0.018302 2C 1f-2 -0.034420 -0.079038 0.039737 -0.081034 -0.026873 -0.033952 2C 1f+3 0.063412 0.083735 -0.079750 0.098187 0.070708 0.050757 2C 1f-3 0.018661 0.022542 0.033385 0.057209 0.018743 0.010934 3C 1s -0.002856 -0.002205 0.001323 -0.000169 -0.003467 -0.004245 3C 2s 0.001073 0.003822 0.004450 0.012223 -0.004155 -0.011030 3C 3s -0.037527 -0.051437 -0.065170 -0.170131 0.006911 0.082467 3C 4s 0.311776 0.305802 0.264070 0.511858 0.286504 0.163811 3C 5s -2.325659 -2.630791 -2.241568 -2.063258 -0.745959 -0.775987 3C 1pz 0.116216 0.146291 -0.005715 -0.050009 0.006399 0.117551 3C 1px 0.006517 -0.063253 0.055482 0.031906 0.021507 0.004136 3C 1py -0.054463 -0.067012 0.017453 -0.085610 -0.090821 -0.016028 3C 2pz 0.004024 -0.114648 0.100389 0.277545 0.255707 -0.009594 3C 2px 0.030507 0.375102 -0.247972 0.286401 0.197332 0.149921 3C 2py -0.304553 -0.239349 -0.058123 -0.288259 -0.221733 -0.264452 3C 3pz -0.231217 -0.207707 -0.269560 -0.256285 -0.002955 0.063172 3C 3px -0.181893 -0.366743 -0.046981 -0.239802 -0.117261 -0.142798 3C 3py 0.509739 0.538255 0.555446 0.366124 0.178627 0.272953 3C 1dz2 0.024977 0.005288 -0.010506 0.013812 0.009313 -0.021156 3C 1dxz -0.037907 -0.010983 0.027988 -0.016581 -0.017645 0.019734 3C 1dyz -0.001248 0.026577 -0.008006 0.007538 0.003041 0.035234 3C 1dx2y2 -0.020461 0.016275 -0.018104 0.030334 0.024490 0.021238 3C 1dxy 0.046351 -0.011652 -0.003131 0.011716 0.022241 -0.023179 3C 2dz2 -0.086289 -0.055174 0.058576 -0.062733 -0.069708 0.009434 3C 2dxz 0.241291 0.072748 -0.108392 0.027738 0.112460 -0.098570 3C 2dyz 0.112943 0.030921 -0.026516 -0.176706 -0.063490 -0.080759 3C 2dx2y2 -0.063062 -0.072307 -0.059740 0.002655 -0.033514 -0.162694 3C 2dxy -0.162190 -0.135544 0.120239 -0.127110 -0.172232 -0.029256 3C 1f0 -0.079189 -0.081179 -0.028365 -0.042121 -0.043784 -0.053068 3C 1f+1 -0.019897 -0.013348 -0.033098 0.028208 -0.003515 -0.033207 3C 1f-1 -0.059256 -0.048109 -0.013136 -0.069339 -0.040711 -0.000275 3C 1f+2 0.056649 0.087704 -0.004993 0.117582 0.052939 0.020044 3C 1f-2 0.055558 0.030425 0.026943 0.024123 0.031738 0.017484 3C 1f+3 0.007057 0.007474 0.023025 0.025273 0.012279 0.008197 3C 1f-3 -0.033074 -0.031349 0.022244 -0.076477 -0.029676 0.025365 4C 1s 0.001381 -0.001395 0.013080 -0.013560 -0.001574 -0.002884 4C 2s 0.006968 -0.000909 0.043964 -0.044451 -0.004704 -0.008232 4C 3s -0.104552 -0.054659 -0.282433 0.514618 0.243023 -0.015754 4C 4s 0.098962 -0.034545 0.215535 -1.257886 -1.473586 0.235529 4C 5s 0.803055 1.164426 -1.900706 1.353149 0.191571 0.107576 4C 1pz -0.218271 -0.114135 0.041137 -0.109337 -0.051915 -0.094819 4C 1px 0.349285 -0.134256 0.175764 0.095355 -0.092070 0.086826 4C 1py -0.026619 -0.148280 0.108392 -0.004939 -0.116710 -0.030375 4C 2pz 0.459293 0.182019 -0.672306 0.397437 -0.126993 0.319826 4C 2px -0.704756 0.665512 0.206229 0.132956 0.373299 0.030639 4C 2py 0.046054 0.394175 -0.368075 0.212559 0.191096 0.225962 4C 3pz -0.839167 -0.973290 1.770400 -1.523014 -1.153951 -0.226815 4C 3px 0.349862 -0.293851 0.702440 0.332070 -0.248994 0.227013 4C 3py -0.407484 -0.743627 1.396845 -0.712958 -0.963281 -0.131128 4C 1dz2 0.000073 -0.049545 0.019215 -0.002832 -0.014385 -0.006973 4C 1dxz -0.071334 -0.011542 -0.061826 -0.043091 -0.002614 -0.018086 4C 1dyz -0.010412 -0.025293 0.013120 -0.035907 -0.007642 -0.030142 4C 1dx2y2 0.012800 0.020757 0.027106 -0.011055 0.014678 0.015049 4C 1dxy -0.036428 0.015740 -0.017366 -0.033006 -0.012364 -0.013852 4C 2dz2 0.034375 -0.296797 0.088530 -0.109798 -0.033293 -0.262574 4C 2dxz 0.006080 0.439022 0.417630 -0.041190 0.271800 -0.133236 4C 2dyz 0.048175 0.000742 0.317504 -0.163566 -0.142932 -0.256848 4C 2dx2y2 0.073368 0.216995 -0.275828 -0.050892 -0.083880 0.323057 4C 2dxy -0.041577 0.287174 0.067107 -0.165089 0.031025 0.111845 4C 1f0 -0.015593 0.029258 -0.005992 -0.013051 0.024198 -0.005311 4C 1f+1 0.033953 -0.021398 0.041293 0.014588 0.019767 0.008221 4C 1f-1 -0.053174 -0.017627 0.019456 -0.010875 -0.005443 -0.025509 4C 1f+2 -0.009356 0.007487 -0.058599 -0.025609 0.010599 -0.004234 4C 1f-2 0.050078 -0.053420 0.054373 0.027227 -0.002280 0.009087 4C 1f+3 -0.010175 -0.021723 -0.010586 0.003320 -0.015688 -0.010036 4C 1f-3 -0.025711 0.019120 -0.004979 -0.009226 0.005960 -0.010971 5C 1s -0.003651 -0.002319 -0.009058 -0.014622 -0.010930 -0.003304 5C 2s -0.009312 -0.004794 -0.030319 -0.046931 -0.033937 -0.010792 5C 3s 0.085179 0.045130 0.139445 0.496229 0.189456 -0.067041 5C 4s -0.516175 -0.469975 0.436686 -1.031895 0.074309 0.586710 5C 5s 1.276999 1.473420 1.620370 1.388896 1.220331 0.353161 5C 1pz -0.064553 -0.220939 0.069420 -0.055126 0.026857 -0.079328 5C 1px -0.208226 0.249457 -0.211104 0.135076 -0.138239 0.016431 5C 1py 0.133242 0.239006 -0.045195 0.093653 0.037315 0.064931 5C 2pz 0.140949 0.541384 0.146129 0.102742 0.033733 0.353199 5C 2px 0.674059 -0.535092 0.192015 0.271638 0.760922 0.020494 5C 2py -0.352652 -0.607136 -0.250421 -0.372077 -0.326658 -0.428473 5C 3pz -0.631058 -0.893408 -0.552528 -0.572328 -0.160815 -0.544276 5C 3px -0.553635 0.018984 -0.836925 0.280681 -0.088939 -0.169584 5C 3py 0.954194 1.165773 1.040854 0.892322 0.147704 0.667044 5C 1dz2 -0.022664 -0.000790 0.001610 0.029653 0.009341 0.018502 5C 1dxz -0.009052 -0.052012 0.034466 -0.027069 -0.004033 -0.002889 5C 1dyz 0.038286 0.009507 0.014093 0.022211 0.027853 0.019864 5C 1dx2y2 0.034252 -0.005427 -0.002157 -0.001814 0.013858 -0.010683 5C 1dxy -0.013692 0.052862 -0.054965 0.058023 0.020244 0.004811 5C 2dz2 -0.185615 -0.080611 -0.073314 0.122888 -0.102375 -0.194983 5C 2dxz -0.026941 -0.164196 -0.003569 0.021193 -0.168645 -0.262456 5C 2dyz 0.268977 0.104760 -0.072849 0.159205 0.252038 0.151838 5C 2dx2y2 0.287654 0.061193 0.023106 0.124876 0.575287 0.317241 5C 2dxy -0.271317 0.073814 0.266940 -0.043317 -0.081381 0.396104 5C 1f0 0.018394 0.044447 -0.014751 0.010696 0.008878 0.006170 5C 1f+1 0.015681 -0.014432 -0.000020 -0.009834 0.005544 -0.020189 5C 1f-1 -0.017673 0.030716 -0.011865 -0.005801 -0.012005 0.020634 5C 1f+2 -0.000018 0.045586 0.006772 0.003716 0.005718 0.037408 5C 1f-2 0.053304 -0.033687 0.062307 -0.054210 0.009354 0.025001 5C 1f+3 -0.026640 0.000381 -0.017598 0.004597 -0.021605 -0.005785 5C 1f-3 -0.046197 0.017120 0.009474 0.017127 0.002418 0.029552 6C 1s 0.004940 0.003880 -0.008777 -0.015157 0.007676 -0.007117 6C 2s 0.013543 0.009910 -0.029720 -0.048583 0.023551 -0.022593 6C 3s -0.119972 -0.088259 0.139995 0.500240 -0.145728 0.015106 6C 4s 0.555488 0.520227 0.444680 -0.993277 -0.010968 0.524052 6C 5s -1.449780 -1.688648 1.466284 1.483490 -0.962393 0.755898 6C 1pz -0.066434 -0.223103 -0.076849 0.047748 0.059438 0.063883 6C 1px -0.211897 0.246798 0.199652 -0.111998 -0.152689 0.037184 6C 1py 0.137510 0.244060 0.060318 -0.092395 0.002235 -0.072737 6C 2pz 0.165628 0.568316 -0.128035 -0.096317 -0.090639 -0.335870 6C 2px 0.693672 -0.512808 -0.139267 -0.349484 0.659399 -0.281264 6C 2py -0.395122 -0.655228 0.206046 0.388662 -0.130649 0.501044 6C 3pz -0.703310 -0.979193 0.494105 0.556617 0.085094 0.591880 6C 3px -0.584736 -0.014765 0.811070 -0.266318 -0.100356 0.220224 6C 3py 1.068358 1.304525 -0.964930 -0.864743 -0.148606 -0.720258 6C 1dz2 0.021793 -0.000646 0.002430 0.029178 0.001421 0.020374 6C 1dxz 0.008742 0.051745 0.038221 -0.026396 -0.001748 -0.003834 6C 1dyz -0.038946 -0.010183 0.011162 0.024426 -0.016392 0.029087 6C 1dx2y2 -0.033540 0.006127 -0.004924 0.000162 -0.016476 -0.004623 6C 1dxy 0.013782 -0.053197 -0.056473 0.058064 -0.007537 0.011120 6C 2dz2 0.187987 0.079236 -0.053773 0.114494 0.041065 -0.212502 6C 2dxz 0.032051 0.168376 0.001008 0.014367 0.066000 -0.301023 6C 2dyz -0.277550 -0.113055 -0.091498 0.171746 -0.152502 0.233344 6C 2dx2y2 -0.302246 -0.075000 -0.006051 0.164398 -0.405913 0.496164 6C 2dxy 0.249251 -0.093664 0.285787 -0.056436 0.206735 0.339898 6C 1f0 0.018832 0.045037 0.017550 -0.010874 0.004646 -0.008771 6C 1f+1 0.015341 -0.014767 0.001018 0.008595 0.013199 0.016529 6C 1f-1 -0.017707 0.030710 0.011904 0.007002 -0.017884 -0.014600 6C 1f+2 0.001610 0.047168 -0.005248 -0.003309 -0.007384 -0.037016 6C 1f-2 0.054697 -0.032526 -0.060945 0.051853 0.008563 -0.027458 6C 1f+3 -0.027244 -0.000330 0.015628 -0.002992 -0.019514 0.013102 6C 1f-3 -0.045046 0.018514 -0.011433 -0.016029 -0.009188 -0.028266 7C 1s -0.002501 0.000170 0.013655 -0.013470 -0.001890 -0.002036 7C 2s -0.010658 -0.003144 0.045572 -0.044178 -0.006235 -0.005364 7C 3s 0.138672 0.090825 -0.304267 0.533126 -0.158430 0.040399 7C 4s -0.175255 -0.043223 0.316451 -1.395856 1.315743 -0.272721 7C 5s -0.606372 -0.941813 -2.007842 1.369378 0.113593 0.052850 7C 1pz -0.206270 -0.101687 -0.053891 0.112586 -0.003809 0.102479 7C 1px 0.348834 -0.133128 -0.176961 -0.082786 -0.111268 -0.048164 7C 1py -0.019857 -0.139514 -0.119269 0.017393 -0.089816 0.068901 7C 2pz 0.402528 0.119151 0.682356 -0.383206 -0.308069 -0.207241 7C 2px -0.697166 0.668873 -0.171282 -0.169276 0.309486 -0.147007 7C 2py 0.016327 0.356538 0.392838 -0.233449 0.043526 -0.249760 7C 3pz -0.681098 -0.797819 -1.914602 1.616232 -0.721380 0.554103 7C 3px 0.372132 -0.267518 -0.720310 -0.300272 -0.319404 -0.107306 7C 3py -0.303066 -0.624312 -1.501293 0.805000 -0.694999 0.424523 7C 1dz2 -0.000084 0.049310 0.022101 -0.003174 0.009087 -0.011995 7C 1dxz 0.071619 0.012355 -0.058481 -0.042618 -0.004769 -0.017442 7C 1dyz 0.009433 0.024627 0.015329 -0.035574 -0.008600 -0.029329 7C 1dx2y2 -0.013489 -0.021632 0.026539 -0.009787 -0.010607 0.021088 7C 1dxy 0.036221 -0.016000 -0.016383 -0.033676 0.002886 -0.015956 7C 2dz2 -0.046181 0.282223 0.115673 -0.104322 -0.082983 -0.237083 7C 2dxz -0.016025 -0.448819 0.378027 -0.013899 -0.328920 -0.004344 7C 2dyz -0.066855 -0.023570 0.322181 -0.175430 0.001018 -0.264693 7C 2dx2y2 -0.057355 -0.192796 -0.287413 -0.063028 0.208602 0.248925 7C 2dxy 0.034331 -0.296173 0.059368 -0.162478 -0.009430 0.118640 7C 1f0 -0.014996 0.029140 0.007280 0.010607 0.024146 -0.005489 7C 1f+1 0.034145 -0.020951 -0.040910 -0.016437 0.016814 -0.016145 7C 1f-1 -0.050065 -0.014046 -0.021787 0.011422 0.005793 0.024473 7C 1f+2 -0.011074 0.005005 0.059165 0.023985 0.011116 0.000285 7C 1f-2 0.051763 -0.051293 -0.055161 -0.027372 -0.004169 -0.007842 7C 1f+3 -0.010502 -0.021957 0.008236 -0.001875 -0.011040 0.014832 7C 1f-3 -0.025376 0.019573 0.004924 0.008051 0.010454 0.007511 8C 1s 0.002833 0.002108 0.001559 -0.000272 0.001486 -0.005337 8C 2s -0.001809 -0.004966 0.004155 0.012285 0.000606 -0.012232 8C 3s 0.050540 0.068662 -0.061411 -0.172170 0.010678 0.084652 8C 4s -0.366831 -0.369344 0.240508 0.528876 -0.166179 0.243312 8C 5s 2.574291 2.938956 -2.026627 -2.082110 0.328573 -1.038806 8C 1pz 0.116632 0.145136 0.014692 0.052558 -0.030482 -0.113251 8C 1px 0.009122 -0.060342 -0.053596 -0.036755 0.013974 -0.010773 8C 1py -0.057066 -0.070699 -0.023295 0.088841 -0.068627 0.049602 8C 2pz 0.022039 -0.092881 -0.097645 -0.299035 0.211369 -0.078422 8C 2px 0.039060 0.385606 0.261851 -0.288456 0.091559 -0.208251 8C 2py -0.332311 -0.269227 0.034182 0.301011 -0.077218 0.317816 8C 3pz -0.256354 -0.241648 0.247585 0.256559 -0.018351 -0.050765 8C 3px -0.203347 -0.393802 0.028813 0.237308 -0.036879 0.181717 8C 3py 0.564223 0.603785 -0.509249 -0.372551 0.059465 -0.329200 8C 1dz2 -0.024428 -0.004799 -0.012053 0.014230 -0.013890 -0.015772 8C 1dxz 0.036655 0.009961 0.031751 -0.018244 0.020110 0.012911 8C 1dyz 0.000871 -0.026857 -0.008553 0.006907 0.011170 0.034386 8C 1dx2y2 0.020009 -0.016666 -0.018251 0.030964 -0.010232 0.028302 8C 1dxy -0.045564 0.012364 -0.006257 0.014342 -0.026889 -0.013908 8C 2dz2 0.084098 0.055775 0.065199 -0.066982 0.055733 -0.015148 8C 2dxz -0.234781 -0.067658 -0.124278 0.036555 -0.136754 -0.052258 8C 2dyz -0.103034 -0.017372 -0.032649 -0.180484 0.007463 -0.097650 8C 2dx2y2 0.070502 0.076185 -0.055422 0.003381 -0.027835 -0.161003 8C 2dxy 0.165227 0.137168 0.138809 -0.137239 0.129487 -0.086074 8C 1f0 -0.085092 -0.087443 0.021335 0.044698 -0.019019 0.065818 8C 1f+1 -0.019185 -0.012137 0.032222 -0.030178 0.003888 0.031817 8C 1f-1 -0.062624 -0.052580 0.007776 0.071404 -0.030811 0.014376 8C 1f+2 0.061531 0.094336 0.012734 -0.119690 0.028557 -0.036768 8C 1f-2 0.059754 0.035576 -0.022243 -0.029100 0.023152 -0.028623 8C 1f+3 0.010590 0.012056 -0.022919 -0.026908 0.007402 -0.012714 8C 1f-3 -0.033878 -0.033398 -0.027106 0.077650 -0.026662 -0.014229 9C 1s 0.000715 0.002613 0.002637 -0.000806 -0.000404 -0.003938 9C 2s -0.003127 -0.000658 0.000488 0.010062 -0.003664 -0.006009 9C 3s -0.009790 -0.020694 0.062736 -0.175478 0.051165 0.043332 9C 4s 0.119145 0.054054 -0.611614 0.618878 -0.129789 0.129127 9C 5s 1.195669 1.814360 3.700011 -2.834595 1.456275 -0.655088 9C 1pz 0.078560 0.098902 0.057063 -0.049068 -0.015863 -0.056930 9C 1px -0.098772 -0.042836 -0.020047 -0.072684 -0.016738 0.016223 9C 1py 0.018617 0.051096 0.086319 0.002920 0.056620 -0.089960 9C 2pz -0.106864 0.047112 0.426360 -0.370853 0.004961 -0.254601 9C 2px 0.377868 0.116538 -0.115619 -0.124602 0.148893 -0.168749 9C 2py 0.008512 -0.015716 0.097575 -0.333374 -0.143828 -0.093664 9C 3pz -0.209147 -0.389696 -0.813786 0.516893 -0.313700 0.122286 9C 3px -0.182439 -0.059414 -0.272551 0.174355 0.075694 0.180666 9C 3py -0.223052 -0.292722 -0.491352 0.438962 -0.152618 0.042240 9C 1dz2 0.020350 -0.013769 -0.016028 -0.022224 -0.015048 -0.013331 9C 1dxz -0.020272 0.046686 -0.008089 0.001033 -0.020075 -0.016413 9C 1dyz 0.011982 0.017654 0.012996 -0.015166 0.006675 -0.022222 9C 1dx2y2 -0.018114 -0.016691 0.016033 0.009171 -0.001224 0.024330 9C 1dxy -0.010303 0.042082 0.006750 0.000948 0.020968 -0.017979 9C 2dz2 0.035697 0.061848 -0.133355 0.078435 0.037585 0.062548 9C 2dxz -0.069105 -0.266950 -0.000292 -0.055052 0.013948 0.154152 9C 2dyz 0.015445 0.086589 -0.035192 0.232665 0.010253 0.095417 9C 2dx2y2 0.001897 0.154969 0.087433 0.038555 -0.023239 -0.027802 9C 2dxy -0.071897 -0.186237 0.056931 0.061540 -0.037140 0.071829 9C 1f0 -0.000502 -0.002773 -0.046507 0.012481 0.031722 -0.008732 9C 1f+1 0.020254 0.001639 -0.018803 -0.046217 -0.001602 0.005603 9C 1f-1 -0.012048 0.018524 0.073814 0.000825 -0.002084 -0.003477 9C 1f+2 0.022166 0.047286 0.085670 -0.036782 0.005000 -0.023340 9C 1f-2 -0.028103 -0.071838 -0.043894 0.080656 -0.001406 0.037659 9C 1f+3 0.052512 0.071535 0.089378 -0.100914 0.032168 -0.065852 9C 1f-3 0.020113 0.025160 -0.027525 -0.062503 0.009689 -0.018405 10H 1s -0.045010 -0.085824 0.286251 -0.041830 -0.036698 -0.005902 10H 2s 0.034058 0.501602 -0.657930 0.100415 0.068299 0.171935 10H 3s 0.167285 0.103149 -0.111693 0.205236 0.132791 0.110612 10H 1pz -0.051541 0.030686 -0.077756 0.015549 -0.046968 0.015740 10H 1px -0.056654 -0.161831 0.088813 0.050824 -0.019088 -0.050927 10H 1py -0.048554 -0.021371 -0.058241 -0.018709 0.037007 0.020047 11H 1s -0.073924 -0.107449 0.006888 -0.209007 0.007474 -0.062815 11H 2s 0.313352 0.291755 -0.043722 0.552594 0.188324 0.140025 11H 3s 0.050823 0.107321 -0.131277 0.081833 0.196965 -0.167507 11H 1pz 0.094414 0.099714 0.010236 0.036037 0.036292 0.043838 11H 1px -0.010852 -0.041687 0.042603 0.121497 0.043260 0.028633 11H 1py -0.027274 -0.015095 0.001025 -0.031831 0.031434 0.047146 12H 1s -0.107030 -0.148123 0.022204 -0.169841 -0.164555 -0.094087 12H 2s 0.332800 0.192636 -0.033272 0.488956 0.281725 0.240385 12H 3s -0.034142 0.034228 -0.211084 0.053339 0.093224 -0.130793 12H 1pz 0.028808 0.045394 0.066522 0.027862 -0.030564 0.011521 12H 1px -0.036862 -0.084790 0.063837 0.131829 -0.008544 0.027139 12H 1py 0.083137 0.035640 0.013398 0.038840 0.055741 0.053387 13H 1s -0.114208 -0.112612 -0.146401 0.005816 -0.025447 -0.132301 13H 2s 0.547889 0.246486 0.248244 0.079252 0.234760 0.148227 13H 3s 0.138701 0.261466 0.001817 0.209214 0.098831 0.019625 13H 1pz 0.116781 0.053272 0.027292 -0.046151 -0.011017 0.044624 13H 1px -0.119565 -0.073974 0.013709 0.003229 -0.047212 0.016146 13H 1py 0.003841 0.071773 -0.040177 -0.026997 -0.026479 0.024750 14H 1s -0.159386 -0.183855 0.057369 -0.197036 -0.098161 -0.008528 14H 2s 0.199394 0.503525 -0.100102 0.544207 0.261928 0.192784 14H 3s 0.081853 0.026486 0.292254 0.009922 -0.026206 0.037110 14H 1pz 0.085462 0.139371 -0.048168 -0.018038 -0.004606 0.064721 14H 1px -0.061818 0.012593 -0.015410 0.133323 0.078496 0.037493 14H 1py 0.020640 0.016738 0.069597 -0.081082 -0.067188 0.053875 15H 1s -0.071779 -0.080125 0.011706 -0.246794 -0.119431 0.043543 15H 2s 0.215205 0.323189 -0.074459 0.581437 0.210662 -0.012004 15H 3s 0.107236 0.108487 0.130122 0.023144 -0.096205 -0.114259 15H 1pz 0.052052 0.039161 -0.007829 -0.084779 -0.008894 0.050201 15H 1px -0.032544 -0.024221 -0.004448 0.063962 0.032149 0.011920 15H 1py -0.067116 -0.093570 0.056352 -0.077375 -0.047398 -0.011164 16H 1s 0.065668 0.067780 0.184686 0.107141 -0.329685 -0.107157 16H 2s -0.217432 -0.161721 -0.595457 -0.368423 1.023994 0.352156 16H 3s 0.066156 0.057380 0.331226 0.248735 -0.391653 -0.134673 16H 1pz -0.067306 -0.046999 -0.209403 -0.090143 0.232546 0.044636 16H 1px 0.091108 0.073963 0.013337 -0.031214 -0.292281 -0.175947 16H 1py -0.000313 0.010137 -0.176989 -0.055925 0.027783 -0.034505 17H 1s 0.090586 0.052202 -0.063336 0.047997 -0.415278 -0.284150 17H 2s -0.225081 -0.137177 0.245077 -0.179353 1.350419 0.930434 17H 3s 0.125031 0.085649 -0.058809 -0.002399 -0.599791 -0.448465 17H 1pz 0.023645 0.019900 -0.162387 -0.068466 -0.124660 -0.125636 17H 1px 0.072236 0.047118 -0.087263 0.163516 -0.408542 -0.270192 17H 1py -0.015409 -0.009645 0.124477 0.073081 0.213414 0.192195 18H 1s -0.086141 -0.048626 -0.044749 0.011003 0.292506 -0.419418 18H 2s 0.209841 0.123531 0.180201 -0.060837 -0.953958 1.372007 18H 3s -0.120380 -0.080720 -0.037289 -0.054208 0.401782 -0.645084 18H 1pz 0.018751 0.013300 0.158896 0.076380 -0.080104 0.173327 18H 1px 0.067006 0.042123 0.065107 -0.124775 -0.304686 0.406776 18H 1py -0.010087 -0.002257 -0.115029 -0.090641 0.126554 -0.257191 19H 1s -0.071401 -0.077893 0.201447 0.072018 0.258465 -0.213003 19H 2s 0.236374 0.195564 -0.652836 -0.259844 -0.796677 0.676647 19H 3s -0.076307 -0.075238 0.353757 0.201124 0.308085 -0.260381 19H 1pz -0.076428 -0.061587 0.219597 0.061742 0.182819 -0.114615 19H 1px 0.091133 0.072823 -0.018867 0.055548 -0.201821 0.270994 19H 1py -0.008654 -0.000656 0.189219 0.047995 0.031102 0.027817 20H 1s 0.080986 0.092960 0.021373 -0.254093 0.097792 0.000054 20H 2s -0.235937 -0.355684 -0.102316 0.592062 -0.131770 0.061977 20H 3s -0.115513 -0.119868 0.120488 0.018815 0.036741 -0.136909 20H 1pz 0.049393 0.033857 0.010975 0.085781 -0.018054 -0.043009 20H 1px -0.030022 -0.020886 0.006594 -0.069005 0.014246 -0.020998 20H 1py -0.068074 -0.095957 -0.063429 0.078261 -0.028708 0.026788 21H 1s 0.166189 0.193510 0.077565 -0.203932 0.064154 -0.040648 21H 2s -0.223495 -0.531924 -0.139599 0.557281 -0.109016 0.268077 21H 3s -0.099258 -0.046688 0.289474 0.009088 0.024268 0.027027 21H 1pz 0.083717 0.136644 0.056015 0.020275 -0.024379 -0.059606 21H 1px -0.057052 0.017884 0.017090 -0.139235 0.041037 -0.061116 21H 1py 0.022066 0.017397 -0.069782 0.085213 -0.069794 -0.027160 22H 1s 0.125718 0.124850 -0.140176 0.004972 -0.013050 -0.135705 22H 2s -0.568830 -0.269537 0.210284 0.098508 -0.173245 0.226098 22H 3s -0.152016 -0.279310 -0.013706 0.209237 -0.062437 0.054377 22H 1pz 0.116384 0.052009 -0.019687 0.046607 -0.019957 -0.038085 22H 1px -0.119810 -0.074365 -0.020907 -0.001675 -0.051595 0.002700 22H 1py 0.002135 0.069761 0.043246 0.029419 -0.031541 -0.013214 23H 1s 0.095724 0.134375 0.038969 -0.181614 0.094917 -0.140179 23H 2s -0.303316 -0.165541 -0.063678 0.510924 -0.121772 0.302980 23H 3s 0.047564 -0.018481 -0.214574 0.069279 -0.120623 -0.096141 23H 1pz 0.029702 0.048404 -0.060568 -0.021810 -0.030806 -0.001034 23H 1px -0.036637 -0.082028 -0.068234 -0.129282 -0.031560 -0.016474 23H 1py 0.079471 0.032788 -0.008360 -0.045926 0.030648 -0.068014 24H 1s 0.065115 0.099961 0.015242 -0.205569 -0.052479 -0.047714 24H 2s -0.287748 -0.261363 -0.079229 0.564103 -0.062111 0.183143 24H 3s -0.034406 -0.089554 -0.153101 0.105308 -0.228465 -0.083563 24H 1pz 0.092075 0.096063 -0.000974 -0.036837 0.016894 -0.053496 24H 1px -0.010092 -0.042048 -0.042926 -0.125398 0.015274 -0.039495 24H 1py -0.024945 -0.013911 -0.006498 0.026347 0.013255 -0.053945 25H 1s 0.027577 0.066348 0.295310 -0.047051 0.017418 -0.012270 25H 2s 0.004170 -0.457950 -0.687032 0.101927 0.045709 0.166738 25H 3s -0.146904 -0.078587 -0.133481 0.214330 -0.049446 0.134304 25H 1pz -0.052228 0.030685 0.077705 -0.008505 -0.056302 0.004921 25H 1px -0.051043 -0.154701 -0.098473 -0.050798 -0.000888 0.054364 25H 1py -0.048656 -0.023511 0.053354 0.014245 0.022134 -0.030197 26O 1s 0.000180 0.000968 0.001902 0.003790 0.000639 0.003689 26O 2s 0.002648 -0.001704 0.008198 0.011505 0.000059 0.010447 26O 3s -0.047750 0.092165 -0.083882 -0.055320 0.033567 -0.022428 26O 4s 0.222879 -0.565203 0.310558 -0.014368 -0.293312 -0.228330 26O 5s -0.094993 -0.117152 -0.617620 0.610658 0.840382 -0.036401 26O 1pz -0.028033 0.013586 -0.011693 0.009843 -0.005634 0.065924 26O 1px 0.073570 0.010183 0.048280 0.023986 -0.046143 0.009341 26O 1py 0.011818 0.022996 0.033736 0.023453 0.016228 0.058365 26O 2pz -0.040613 0.019202 -0.062287 -0.093954 -0.009496 -0.047759 26O 2px -0.146188 0.266441 -0.100215 -0.107919 0.092082 0.095169 26O 2py -0.085424 0.104754 -0.081956 -0.104808 -0.023731 -0.018403 26O 3pz 0.069178 -0.190220 -0.098158 0.624031 0.009331 0.442801 26O 3px -0.033999 0.045898 0.478402 0.171028 -0.422725 0.158586 26O 3py 0.143268 0.061620 0.053449 0.527773 0.014529 0.389800 26O 1dz2 0.003348 -0.007033 0.002937 0.008794 -0.003620 0.000501 26O 1dxz -0.004349 0.009072 -0.003198 -0.002060 -0.000878 -0.002165 26O 1dyz -0.000438 0.002752 -0.001092 0.003690 0.002476 0.002113 26O 1dx2y2 -0.004072 0.002335 -0.001673 -0.001626 0.001327 0.000039 26O 1dxy -0.008855 0.007276 -0.003393 -0.005708 0.002924 -0.000911 26O 2dz2 0.054678 0.000547 0.099846 0.185045 -0.066701 0.090935 26O 2dxz 0.033165 0.128733 0.122119 -0.065597 0.012190 -0.168533 26O 2dyz -0.009433 0.101155 -0.029700 0.092416 0.149534 0.059598 26O 2dx2y2 -0.095901 0.025776 -0.108570 -0.070471 0.065634 -0.005241 26O 2dxy -0.152569 0.001041 -0.059646 -0.117484 0.086968 -0.119227 26O 1f0 0.007631 0.000319 0.003890 0.004842 0.000315 0.001847 26O 1f+1 0.003099 -0.007524 0.002947 0.002664 -0.003206 -0.001560 26O 1f-1 -0.002044 -0.000635 -0.003203 -0.002326 -0.000976 -0.002557 26O 1f+2 -0.001756 -0.002259 0.001261 -0.002442 0.000422 -0.000533 26O 1f-2 -0.011459 0.002769 -0.009915 -0.006110 0.002754 -0.003205 26O 1f+3 -0.002178 -0.004780 -0.001526 -0.000908 -0.002809 -0.002935 26O 1f-3 0.011063 -0.012903 0.005566 0.005600 -0.003447 0.000875 27O 1s 0.000181 0.000580 -0.001893 0.003391 0.006268 0.000637 27O 2s -0.004260 0.002336 -0.007349 0.009957 0.016713 0.002483 27O 3s 0.103091 -0.021044 0.060846 -0.041451 -0.020627 -0.001745 27O 4s -0.567101 0.036410 -0.104498 -0.035522 -0.415557 -0.104175 27O 5s 0.183139 0.223878 -0.098667 0.090262 -0.457770 -0.156981 27O 1pz 0.045132 0.008835 -0.053059 0.005765 0.027267 -0.016601 27O 1px 0.003905 0.062583 -0.048465 0.071698 -0.022780 -0.035134 27O 1py -0.022253 0.010076 -0.003651 -0.029731 -0.029330 -0.041519 27O 2pz -0.042406 -0.046878 0.073809 -0.057961 -0.028921 0.035499 27O 2px 0.244700 -0.118953 0.120344 -0.108621 0.262882 0.122835 27O 2py -0.045673 0.051976 -0.054663 0.115463 -0.027817 -0.030531 27O 3pz 0.046316 0.246668 -0.229100 0.269932 0.256590 0.133260 27O 3px -0.086220 -0.101835 -0.153936 0.497476 0.606822 0.129337 27O 3py 0.138607 -0.125700 0.029654 -0.597271 -0.409474 -0.306468 27O 1dz2 -0.003909 0.005344 -0.002498 0.002752 -0.004321 0.002580 27O 1dxz 0.003439 -0.000956 0.002522 -0.000786 0.001549 -0.000446 27O 1dyz 0.000423 -0.002920 -0.001056 -0.007241 0.000318 0.003075 27O 1dx2y2 0.007230 -0.004704 0.004451 -0.008879 0.001754 0.002872 27O 1dxy -0.009431 0.004741 -0.001132 0.003475 -0.004716 0.003185 27O 2dz2 -0.040333 0.093291 -0.043188 0.057390 -0.017289 0.092055 27O 2dxz -0.044232 -0.044063 0.051463 -0.001327 -0.068931 -0.082426 27O 2dyz -0.064861 -0.032036 -0.005517 -0.130490 -0.077929 -0.010133 27O 2dx2y2 0.038413 -0.090231 0.108855 -0.304943 -0.119177 0.037097 27O 2dxy -0.126240 0.006922 0.054026 0.073227 0.078653 0.194020 27O 1f0 0.000313 0.006358 -0.003075 0.006364 0.001112 -0.000933 27O 1f+1 -0.008780 0.008293 -0.005974 0.001950 -0.008182 0.000982 27O 1f-1 0.003383 -0.000972 0.003660 -0.001328 -0.001614 -0.000999 27O 1f+2 -0.005104 -0.001923 -0.000709 0.001734 -0.005819 -0.006204 27O 1f-2 -0.003500 0.005021 -0.004866 0.004147 -0.001651 -0.002877 27O 1f+3 -0.007023 0.000533 0.000041 0.002053 -0.005297 -0.000951 27O 1f-3 0.007550 -0.009603 0.009307 -0.009233 -0.000484 -0.000023 28O 1s 0.003254 0.004216 -0.001974 0.002095 -0.003447 0.004582 28O 2s 0.005813 0.013848 -0.005415 0.004965 -0.010142 0.013580 28O 3s 0.040033 -0.087041 -0.015393 -0.005939 0.030125 -0.046226 28O 4s -0.412536 0.179484 0.320277 -0.162520 0.090645 -0.184055 28O 5s 0.289894 0.467671 0.080960 0.926962 0.974731 0.181768 28O 1pz 0.006101 0.028283 -0.019881 -0.008034 0.040207 0.003709 28O 1px 0.099505 0.047928 0.005698 0.012015 0.025122 0.068085 28O 1py 0.002920 -0.019295 -0.019227 -0.034667 -0.010172 0.025740 28O 2pz 0.176886 -0.084709 -0.060048 0.011829 -0.140508 0.104156 28O 2px -0.223697 0.049504 0.152362 0.004819 0.089664 -0.103333 28O 2py 0.052168 -0.001820 0.016568 0.039639 0.003858 0.028532 28O 3pz -0.207210 -0.062123 -0.763173 -0.131346 -0.514374 0.275183 28O 3px 0.058300 0.336190 0.101419 0.220851 0.561974 0.057164 28O 3py -0.119356 0.087422 -0.421345 -0.116635 -0.077463 0.195257 28O 1dz2 0.006257 -0.001888 0.004226 0.000328 0.001005 0.002654 28O 1dxz -0.014489 0.003396 -0.007755 -0.003325 0.002580 -0.005756 28O 1dyz 0.003706 0.002539 0.002592 0.003259 0.000017 -0.000360 28O 1dx2y2 0.003384 -0.001237 0.001827 0.001513 0.000759 0.001299 28O 1dxy -0.004904 0.004198 -0.003828 -0.001334 0.002123 -0.003358 28O 2dz2 0.028669 -0.105767 0.093463 0.072924 -0.010015 -0.038937 28O 2dxz -0.242058 -0.060399 -0.331890 -0.043577 -0.097798 -0.041249 28O 2dyz 0.076080 -0.002934 0.057150 0.128644 0.006537 0.001042 28O 2dx2y2 0.105958 0.038534 0.080244 0.036145 0.079929 0.089092 28O 2dxy -0.042755 0.007045 -0.203166 -0.030624 0.018698 0.067279 28O 1f0 -0.005331 -0.002420 0.001210 0.003814 -0.000392 -0.002969 28O 1f+1 -0.012361 0.004787 -0.004298 -0.000405 0.002842 -0.000474 28O 1f-1 0.011529 -0.002989 0.001345 0.005108 -0.001923 0.005745 28O 1f+2 0.013441 0.001303 -0.000757 -0.001885 -0.003014 0.002711 28O 1f-2 -0.005545 0.003023 -0.002744 -0.000520 -0.000830 0.003260 28O 1f+3 0.007081 -0.000486 -0.002651 0.003043 -0.004702 0.003978 28O 1f-3 -0.002370 0.001279 -0.003378 0.001622 0.002159 0.000390 29O 1s 0.001371 -0.000410 0.005691 0.012858 -0.025330 -0.018150 29O 2s 0.006506 0.000413 0.018552 0.041997 -0.088282 -0.061690 29O 3s -0.086409 -0.041672 -0.116872 -0.257422 0.687234 0.443910 29O 4s 0.289338 0.214944 0.153361 0.295027 -1.353345 -0.767453 29O 5s -0.150290 -0.190953 0.113136 0.344837 -0.170967 -0.178280 29O 1pz 0.007728 0.016571 0.108414 0.049402 -0.039543 0.047371 29O 1px -0.044494 -0.031033 0.022952 0.014771 0.156048 0.104793 29O 1py 0.032440 0.021712 0.073607 0.007888 -0.176712 -0.086001 29O 2pz -0.022481 -0.022712 -0.483112 -0.161732 0.042685 -0.193827 29O 2px 0.081212 0.045018 -0.107906 0.032308 -0.523992 -0.387158 29O 2py -0.109989 -0.077733 -0.088249 -0.067990 0.562187 0.306350 29O 3pz -0.040855 -0.035929 0.146299 0.124395 -0.085059 -0.031378 29O 3px 0.004333 0.052131 -0.102049 -0.230170 0.491951 0.367701 29O 3py -0.005347 0.018479 -0.019117 -0.107599 0.183142 0.079052 29O 1dz2 -0.000548 0.000385 -0.004318 -0.001649 0.004120 0.002753 29O 1dxz 0.000703 0.001338 0.001847 -0.003700 0.009773 0.007992 29O 1dyz -0.000997 0.000745 -0.005651 -0.002724 -0.000225 -0.001985 29O 1dx2y2 0.000190 -0.000825 0.004943 0.003905 -0.012755 -0.008662 29O 1dxy 0.000655 0.000353 -0.004364 0.002285 -0.008865 -0.008359 29O 2dz2 0.005781 -0.007861 0.070378 0.070914 -0.028486 0.001771 29O 2dxz 0.056206 0.063451 -0.049185 -0.088412 -0.123750 -0.089805 29O 2dyz 0.008044 0.013899 -0.025764 -0.098113 0.062424 0.030425 29O 2dx2y2 -0.041731 -0.043170 0.046219 -0.072648 -0.047403 -0.054517 29O 2dxy 0.040724 0.021678 0.025587 0.037850 -0.196756 -0.124940 29O 1f0 -0.009164 -0.007396 -0.007910 -0.008707 0.041239 0.020349 29O 1f+1 0.004283 0.003008 -0.002596 0.004243 -0.019823 -0.011518 29O 1f-1 -0.008647 -0.007258 -0.022161 -0.010272 0.040197 0.014063 29O 1f+2 0.003448 0.002952 0.005910 0.005590 -0.009872 -0.002589 29O 1f-2 -0.007533 -0.003785 0.021157 -0.003278 0.040552 0.032643 29O 1f+3 0.001549 0.001167 -0.008285 0.000225 -0.006441 -0.005575 29O 1f-3 0.003223 0.001636 -0.005581 0.001022 -0.018492 -0.013495 30O 1s 0.003077 0.002852 -0.001727 0.001744 0.002548 0.001152 30O 2s 0.010506 0.004460 -0.004714 0.004326 0.007861 0.000806 30O 3s -0.068114 0.051813 0.025753 -0.015057 -0.041829 0.061260 30O 4s 0.123568 -0.467496 0.002581 -0.055567 0.063214 -0.448726 30O 5s 0.379310 0.353301 -0.480339 0.682840 0.025695 -0.086692 30O 1pz -0.023287 -0.026430 0.053767 -0.020393 0.030195 0.038419 30O 1px 0.023237 0.099517 -0.046987 -0.000216 0.014360 0.071706 30O 1py -0.020530 -0.023083 0.018574 0.016737 -0.066622 -0.047857 30O 2pz -0.027534 0.164943 -0.060374 0.002072 -0.056404 0.077983 30O 2px 0.037862 -0.208465 -0.005937 0.055029 0.033803 -0.195810 30O 2py 0.068723 -0.141648 0.015048 -0.021653 0.069655 -0.064749 30O 3pz -0.032375 -0.133540 0.552115 -0.137595 0.157617 0.300641 30O 3px 0.304301 0.086585 -0.264150 0.107841 0.161573 0.100720 30O 3py -0.056491 0.167555 -0.385545 0.170828 -0.276861 -0.281764 30O 1dz2 -0.002570 -0.000468 -0.000918 -0.001141 -0.000350 -0.002347 30O 1dxz 0.003676 -0.007677 0.006429 -0.002898 0.001854 0.000718 30O 1dyz 0.001379 -0.009296 0.007644 -0.004150 -0.001663 -0.002564 30O 1dx2y2 0.002060 -0.003116 0.000067 -0.002974 -0.002361 -0.002500 30O 1dxy -0.006069 0.009572 -0.004614 0.002227 -0.005464 0.002568 30O 2dz2 -0.021791 -0.066542 -0.009517 0.011887 0.004908 -0.140093 30O 2dxz -0.001580 -0.129898 0.244111 -0.085981 0.010852 0.083941 30O 2dyz 0.018012 -0.141081 0.189589 -0.141341 0.098714 0.030711 30O 2dx2y2 0.099118 0.071559 -0.059929 -0.059539 0.144342 0.113041 30O 2dxy -0.009558 0.140661 -0.158730 0.020003 -0.152910 -0.039924 30O 1f0 0.005167 -0.013341 0.005321 -0.004793 0.003925 -0.003314 30O 1f+1 0.003276 0.000718 0.000919 0.000374 0.001629 -0.001120 30O 1f-1 0.003034 -0.004452 0.001221 -0.002277 0.001829 -0.002124 30O 1f+2 0.002535 -0.003800 0.002695 -0.004256 0.002805 0.000452 30O 1f-2 -0.002876 0.015101 -0.005171 -0.000828 -0.004325 0.007699 30O 1f+3 0.004353 -0.000352 0.003162 0.002746 0.001761 -0.001478 30O 1f-3 0.002147 0.009371 -0.003447 -0.002650 -0.002159 0.006212 31O 1s -0.003091 -0.002858 -0.001928 0.001779 -0.001721 0.001895 31O 2s -0.010470 -0.004404 -0.005299 0.004608 -0.006409 0.003266 31O 3s 0.066115 -0.053677 0.028679 -0.019833 0.057694 0.043804 31O 4s -0.110449 0.478586 -0.002755 -0.028264 -0.223443 -0.396957 31O 5s -0.390218 -0.366897 -0.493494 0.644242 0.065411 -0.045148 31O 1pz -0.020688 -0.024432 -0.054263 0.017324 0.017188 -0.047124 31O 1px 0.022541 0.097969 0.048896 0.003842 -0.013471 -0.073213 31O 1py -0.020800 -0.022945 -0.021770 -0.013124 -0.044277 0.069970 31O 2pz -0.027102 0.165418 0.061600 0.006522 -0.079842 -0.049569 31O 2px 0.035165 -0.209733 0.007606 -0.066057 0.091471 0.170599 31O 2py 0.066694 -0.143719 -0.013290 0.013821 0.086429 0.030693 31O 3pz -0.013311 -0.116187 -0.556704 0.120360 0.079635 -0.329803 31O 3px 0.304190 0.083801 0.275075 -0.100009 0.078828 -0.168471 31O 3py -0.073475 0.150846 0.393543 -0.149227 -0.194560 0.358892 31O 1dz2 0.002720 0.000620 -0.000827 -0.001026 -0.000725 -0.002363 31O 1dxz -0.003763 0.007611 0.006499 -0.002611 -0.002084 0.001414 31O 1dyz -0.001431 0.009253 0.007858 -0.003911 -0.000076 -0.002999 31O 1dx2y2 -0.002053 0.003116 0.000257 -0.003093 0.000998 -0.003213 31O 1dxy 0.006181 -0.009450 -0.004594 0.001630 0.006317 0.000296 31O 2dz2 0.027943 0.070909 -0.008347 0.017967 -0.057169 -0.130523 31O 2dxz -0.007651 0.121129 0.247308 -0.080594 0.001433 0.080783 31O 2dyz -0.020182 0.139820 0.185194 -0.125966 -0.103706 0.065179 31O 2dx2y2 -0.096640 -0.067346 -0.067398 -0.052837 -0.096670 0.160041 31O 2dxy 0.019573 -0.129275 -0.162362 0.006106 0.134346 -0.093794 31O 1f0 0.005145 -0.013394 -0.005241 0.004128 0.005298 0.001474 31O 1f+1 0.003402 0.000827 -0.000709 -0.000602 0.001804 0.000447 31O 1f-1 0.003002 -0.004503 -0.001270 0.001939 0.002681 0.001213 31O 1f+2 0.002537 -0.003835 -0.002529 0.003923 0.002985 -0.001585 31O 1f-2 -0.002947 0.015010 0.005209 0.001677 -0.006617 -0.005581 31O 1f+3 0.004466 -0.000167 -0.002792 -0.003054 0.001990 0.000762 31O 1f-3 0.001849 0.008954 0.003755 0.003023 -0.003911 -0.004992 32O 1s -0.001393 0.000109 0.007057 0.010674 0.017746 -0.026161 32O 2s -0.006603 -0.001426 0.023252 0.034265 0.062161 -0.089664 32O 3s 0.087678 0.048873 -0.152392 -0.194534 -0.490341 0.662914 32O 4s -0.292378 -0.226099 0.217418 0.163807 0.983601 -1.202459 32O 5s 0.146813 0.180957 0.139181 0.333999 0.125879 -0.231032 32O 1pz 0.010675 0.021385 -0.109048 -0.043362 -0.043796 -0.037471 32O 1px -0.043280 -0.029701 -0.016003 -0.028261 0.107849 -0.155451 32O 1py 0.032100 0.022682 -0.083932 0.009443 -0.128857 0.142842 32O 2pz -0.038999 -0.048505 0.489191 0.145118 0.066480 0.198623 32O 2px 0.076486 0.040356 0.079881 0.012098 -0.359782 0.558986 32O 2py -0.110153 -0.081040 0.126599 0.015445 0.407459 -0.482104 32O 3pz -0.035282 -0.027005 -0.153793 -0.112244 -0.065214 0.056981 32O 3px 0.002389 0.046144 0.130003 0.186419 0.339704 -0.526891 32O 3py -0.004464 0.018129 0.031805 0.092010 0.150588 -0.137998 32O 1dz2 0.000762 -0.000059 -0.004267 -0.001079 -0.002571 0.004076 32O 1dxz -0.000836 -0.001452 0.001445 -0.002815 -0.006685 0.011433 32O 1dyz 0.001253 -0.000361 -0.005886 -0.002606 -0.000103 -0.002331 32O 1dx2y2 -0.000294 0.000586 0.005936 0.002801 0.008595 -0.012506 32O 1dxy -0.000562 -0.000263 -0.003663 0.001569 0.005635 -0.011016 32O 2dz2 -0.007154 0.005764 0.074788 0.066386 0.031196 -0.010755 32O 2dxz -0.053338 -0.058406 -0.055488 -0.097377 0.074750 -0.127570 32O 2dyz -0.008009 -0.012589 -0.030201 -0.089237 -0.052515 0.047664 32O 2dx2y2 0.041165 0.041852 0.050539 -0.074747 0.012550 -0.066554 32O 2dxy -0.041647 -0.022968 0.032057 0.015742 0.139217 -0.191435 32O 1f0 -0.008846 -0.007470 0.008658 0.004243 0.028804 -0.031798 32O 1f+1 0.004536 0.003158 0.002010 -0.002561 -0.016307 0.020288 32O 1f-1 -0.009876 -0.008932 0.024495 0.005929 0.032183 -0.028531 32O 1f+2 0.004241 0.003804 -0.006981 -0.004619 -0.009861 0.007674 32O 1f-2 -0.006401 -0.002563 -0.019684 -0.000307 0.027092 -0.045337 32O 1f+3 0.001103 0.000725 0.007497 0.000247 -0.003681 0.006227 32O 1f-3 0.002705 0.001043 0.005140 0.000706 -0.012715 0.019525 33O 1s -0.003074 -0.004025 -0.002040 0.001632 0.005084 0.002797 33O 2s -0.005380 -0.013367 -0.005543 0.003612 0.014940 0.008377 33O 3s -0.039167 0.087694 -0.014943 -0.001789 -0.045169 -0.031399 33O 4s 0.390845 -0.202229 0.318863 -0.148962 -0.176724 -0.122058 33O 5s -0.258426 -0.436660 -0.010113 1.003857 -0.746837 0.508521 33O 1pz 0.005398 0.026985 0.026239 0.004433 0.036477 -0.016435 33O 1px 0.097162 0.044920 0.001676 -0.012507 0.000545 -0.070954 33O 1py 0.003388 -0.018064 0.018155 0.034690 -0.014605 -0.019827 33O 2pz 0.171105 -0.090638 0.049877 0.002629 -0.171801 -0.042144 33O 2px -0.215008 0.059594 -0.150682 -0.015499 0.123400 0.057818 33O 2py 0.051320 -0.003632 -0.016653 -0.038116 -0.012314 -0.027572 33O 3pz -0.225039 -0.084382 0.729445 0.187251 -0.603166 -0.054739 33O 3px 0.045920 0.321826 -0.043543 -0.267296 0.484825 -0.256682 33O 3py -0.134262 0.068236 0.418375 0.125658 -0.149902 -0.138957 33O 1dz2 -0.006242 0.001824 0.004168 0.000218 -0.000335 0.002977 33O 1dxz 0.014502 -0.003354 -0.007780 -0.002989 -0.004298 -0.004434 33O 1dyz -0.003650 -0.002569 0.002186 0.003232 -0.000333 -0.000416 33O 1dx2y2 -0.003309 0.001306 0.001773 0.001487 -0.000120 0.001506 33O 1dxy 0.005031 -0.004050 -0.004026 -0.001101 -0.003036 -0.002395 33O 2dz2 -0.032145 0.098865 0.105588 0.071625 -0.002529 -0.035343 33O 2dxz 0.248991 0.068642 -0.320813 -0.052611 0.092944 -0.082666 33O 2dyz -0.071015 0.008024 0.051101 0.127820 0.002194 0.001743 33O 2dx2y2 -0.105284 -0.038643 0.068754 0.039848 -0.045431 0.111730 33O 2dxy 0.050295 0.002055 -0.202359 -0.029037 0.015276 0.061486 33O 1f0 -0.005284 -0.002237 -0.001332 -0.003846 0.000358 0.003147 33O 1f+1 -0.012249 0.004797 0.004340 0.000180 0.002186 -0.000511 33O 1f-1 0.011287 -0.003292 -0.001361 -0.004835 -0.004474 -0.004450 33O 1f+2 0.013199 0.001061 0.000908 0.002252 -0.003225 -0.001535 33O 1f-2 -0.005592 0.003005 0.002649 0.000696 -0.002107 -0.002714 33O 1f+3 0.006936 -0.000541 0.002567 -0.002483 -0.006110 -0.001874 33O 1f-3 -0.002661 0.000960 0.003463 -0.001809 0.001394 -0.000962 34O 1s -0.000198 -0.000600 -0.002318 0.003957 -0.005041 0.002682 34O 2s 0.004249 -0.002348 -0.008314 0.011417 -0.012934 0.007800 34O 3s -0.103980 0.020179 0.059050 -0.042577 0.010348 -0.006571 34O 4s 0.572568 -0.032077 -0.059299 -0.075394 0.345287 -0.247358 34O 5s -0.179779 -0.219486 -0.099508 0.051337 0.392218 -0.274039 34O 1pz 0.043219 0.006887 0.056086 -0.007675 0.026983 0.006037 34O 1px 0.003824 0.063656 0.048997 -0.067589 -0.015989 0.042417 34O 1py -0.023172 0.009589 0.002608 0.030414 -0.006937 0.048801 34O 2pz -0.041095 -0.046034 -0.080057 0.059187 -0.028502 -0.023483 34O 2px 0.246933 -0.118990 -0.099809 0.081276 0.215041 -0.207014 34O 2py -0.046190 0.052721 0.051968 -0.110118 -0.031433 0.038139 34O 3pz 0.054900 0.257765 0.254393 -0.282460 0.142701 -0.213306 34O 3px -0.070499 -0.079386 0.177495 -0.547857 0.447768 -0.299820 34O 3py 0.109477 -0.160637 -0.043610 0.623545 -0.188234 0.420234 34O 1dz2 0.003908 -0.005360 -0.002400 0.002115 0.005370 0.000699 34O 1dxz -0.003461 0.000916 0.002234 -0.000625 -0.001725 0.000161 34O 1dyz -0.000305 0.003125 -0.000879 -0.007119 -0.000056 0.003014 34O 1dx2y2 -0.007176 0.004871 0.003967 -0.008447 -0.001733 0.003376 34O 1dxy 0.009320 -0.004890 -0.000615 0.002880 0.005763 0.001200 34O 2dz2 0.037303 -0.096730 -0.044574 0.050209 0.056810 0.074003 34O 2dxz 0.042219 0.041194 0.052169 -0.002691 0.031047 -0.102447 34O 2dyz 0.072227 0.040664 0.004343 -0.136855 0.051489 -0.036880 34O 2dx2y2 -0.032512 0.100611 0.110946 -0.308839 0.089504 -0.000921 34O 2dxy 0.116961 -0.016227 0.062717 0.072362 0.003860 0.207988 34O 1f0 0.000356 0.006451 0.003372 -0.006252 0.000613 0.000476 34O 1f+1 -0.008702 0.008372 0.005276 -0.000911 -0.008329 0.001990 34O 1f-1 0.003461 -0.000903 -0.003510 0.001383 -0.000844 0.001497 34O 1f+2 -0.005235 -0.001984 -0.000016 -0.001196 -0.003355 0.007868 34O 1f-2 -0.003734 0.004805 0.004907 -0.003812 -0.001180 0.003285 34O 1f+3 -0.006918 0.000683 -0.000753 -0.001350 -0.004628 0.002763 34O 1f-3 0.007479 -0.009790 -0.009141 0.008829 0.000986 0.000168 35O 1s -0.000197 -0.001014 0.001863 0.003752 0.001064 0.003506 35O 2s -0.002767 0.001472 0.008319 0.011251 0.004456 0.009313 35O 3s 0.049761 -0.088956 -0.089127 -0.051586 -0.038352 -0.008264 35O 4s -0.235601 0.547716 0.345736 -0.037895 0.159592 -0.308554 35O 5s 0.131787 0.150820 -0.643904 0.686438 -0.699725 0.285167 35O 1pz -0.026761 0.014736 0.009272 -0.007310 -0.034021 -0.056100 35O 1px 0.073692 0.010990 -0.048891 -0.018442 -0.044910 0.007540 35O 1py 0.012610 0.022830 -0.030943 -0.022250 -0.009510 -0.059004 35O 2pz -0.042041 0.016857 0.062483 0.092144 0.018252 0.045415 35O 2px -0.147588 0.261978 0.113531 0.098700 0.052785 -0.117753 35O 2py -0.086993 0.102619 0.083820 0.104059 -0.006716 0.025480 35O 3pz 0.050240 -0.210260 0.090938 -0.611180 -0.239090 -0.382237 35O 3px -0.018295 0.062956 -0.497762 -0.126487 -0.455061 0.021334 35O 3py 0.130215 0.044652 -0.044392 -0.517655 -0.198423 -0.333646 35O 1dz2 -0.003363 0.006952 0.003166 0.008290 0.004471 -0.001139 35O 1dxz 0.004348 -0.009040 -0.003541 -0.002200 0.000112 -0.002242 35O 1dyz 0.000381 -0.002791 -0.001252 0.003786 -0.000675 0.002609 35O 1dx2y2 0.004135 -0.002229 -0.001754 -0.001491 -0.001413 0.000692 35O 1dxy 0.008737 -0.007380 -0.003591 -0.005375 -0.003302 0.000404 35O 2dz2 -0.050577 0.003255 0.096167 0.173297 0.111437 0.052377 35O 2dxz -0.036791 -0.133234 0.113572 -0.061136 -0.088753 -0.138955 35O 2dyz 0.014054 -0.095637 -0.038761 0.105391 -0.101618 0.107252 35O 2dx2y2 0.098794 -0.020347 -0.113941 -0.063610 -0.063576 0.020412 35O 2dxy 0.147312 -0.008748 -0.056791 -0.104651 -0.134150 -0.069455 35O 1f0 0.007535 0.000279 -0.003617 -0.004762 -0.000521 -0.001720 35O 1f+1 0.002964 -0.007610 -0.003199 -0.002297 -0.002335 0.002688 35O 1f-1 -0.002199 -0.000800 0.003125 0.002341 0.000324 0.002676 35O 1f+2 -0.001451 -0.001988 -0.001579 0.002437 0.000648 0.000224 35O 1f-2 -0.011555 0.002560 0.009578 0.005637 0.003757 0.001906 35O 1f+3 -0.002107 -0.004627 0.001247 0.001146 -0.001362 0.003689 35O 1f-3 0.010964 -0.012916 -0.006037 -0.005180 -0.003534 0.000461 414 415 416 417 418 419 2.27724 2.27862 2.28187 2.30196 2.31588 2.31787 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s -0.000802 0.000695 0.000231 -0.001147 -0.000241 0.000132 0Rh 2s 0.005322 0.002301 -0.001101 0.005803 0.001900 -0.002245 0Rh 3s -0.001482 0.005499 0.000692 -0.003225 -0.000263 -0.000590 0Rh 4s -0.027152 -0.012406 0.005539 -0.029377 -0.009698 0.011714 0Rh 5s 0.048816 0.058331 -0.007095 0.042265 0.018509 -0.030167 0Rh 6s -0.026626 -0.184687 -0.009396 0.024253 -0.013589 0.062473 0Rh 7s 0.114360 1.299004 0.110819 -0.250462 0.054311 -0.697001 0Rh 8s -0.301250 -0.289125 -0.199565 -0.023057 -0.093901 0.170680 0Rh 1pz 0.004019 -0.001968 -0.007406 -0.002568 0.004263 0.013159 0Rh 1px -0.002313 0.012722 0.003023 0.001311 0.004598 -0.004234 0Rh 1py -0.007142 0.001244 -0.004112 -0.006738 -0.007499 0.000841 0Rh 2pz -0.013482 0.007368 0.024425 0.008983 -0.015168 -0.046198 0Rh 2px 0.009399 -0.044232 -0.011415 -0.004691 -0.016322 0.014954 0Rh 2py 0.023554 -0.004162 0.013410 0.023381 0.026352 -0.003217 0Rh 3pz -0.006134 -0.014193 0.020596 -0.004045 0.012374 0.025084 0Rh 3px -0.032338 0.015684 0.023408 0.004523 0.012616 -0.009937 0Rh 3py 0.019885 -0.001882 0.014606 -0.006819 -0.014821 0.007284 0Rh 4pz 0.120813 0.009183 -0.258531 -0.046440 0.056276 0.216140 0Rh 4px 0.068799 0.241513 -0.018159 0.012463 0.061467 -0.065415 0Rh 4py -0.249475 0.035637 -0.155153 -0.133939 -0.120804 -0.006663 0Rh 5pz -0.235741 -0.023730 0.500622 0.091758 -0.120117 -0.398086 0Rh 5px -0.129352 -0.469954 0.036421 -0.010701 -0.115819 0.148372 0Rh 5py 0.485155 -0.060964 0.298625 0.247956 0.217436 0.005854 0Rh 6pz 0.070733 0.437972 -0.187714 -0.177604 0.177621 -0.318090 0Rh 6px 0.112082 0.893508 -0.126664 -0.256838 -0.017981 -0.564513 0Rh 6py -0.338607 -0.166413 -0.042287 0.038634 0.350783 0.039051 0Rh 1dz2 -0.003151 0.022473 -0.003898 -0.009175 0.005837 0.006246 0Rh 1dxz -0.001761 -0.021877 0.001956 0.019158 -0.003335 -0.009594 0Rh 1dyz -0.001327 -0.009263 -0.004067 -0.006487 -0.002318 0.002861 0Rh 1dx2y2 -0.013532 -0.021485 -0.002710 -0.005417 -0.004674 -0.004653 0Rh 1dxy 0.004775 0.012185 0.006140 0.020737 0.010018 -0.001530 0Rh 2dz2 0.002036 -0.000216 -0.001201 0.003011 0.001040 -0.001225 0Rh 2dxz -0.001095 0.000136 0.003197 -0.001779 0.000799 -0.001759 0Rh 2dyz 0.000162 0.003018 0.000214 0.008395 -0.002588 -0.001197 0Rh 2dx2y2 -0.000788 0.002316 0.000097 0.000959 0.001019 0.001106 0Rh 2dxy 0.003148 0.000292 0.001991 0.002634 -0.000099 0.000248 0Rh 3dz2 -0.000523 -0.059311 0.015587 0.011022 -0.020168 -0.011570 0Rh 3dxz 0.009380 0.058578 -0.019082 -0.044162 0.005602 0.033628 0Rh 3dyz 0.002494 0.011473 0.009740 -0.020291 0.017739 -0.002316 0Rh 3dx2y2 0.039874 0.047067 0.006824 0.010435 0.008307 0.007908 0Rh 3dxy -0.026513 -0.034382 -0.025258 -0.067975 -0.026657 0.003180 0Rh 4dz2 0.029412 -0.008886 -0.012193 0.050182 0.010764 -0.016936 0Rh 4dxz -0.012486 0.001115 0.040232 -0.024548 0.010181 -0.021566 0Rh 4dyz 0.008878 0.045594 0.009521 0.129276 -0.036228 -0.019459 0Rh 4dx2y2 -0.008740 0.042615 0.002090 0.013630 0.012585 0.013101 0Rh 4dxy 0.040172 0.006414 0.026269 0.038381 -0.003192 0.001765 0Rh 5dz2 -0.122141 0.177485 -0.034735 -0.244782 0.011425 0.070598 0Rh 5dxz 0.030938 -0.066430 -0.098477 0.170817 -0.036497 -0.002909 0Rh 5dyz -0.117483 -0.193293 -0.154180 -0.504308 0.100709 0.091991 0Rh 5dx2y2 -0.057135 -0.322998 -0.020928 -0.072591 -0.057586 -0.025033 0Rh 5dxy -0.101543 0.006008 -0.069492 -0.045008 0.058783 0.006691 0Rh 1f0 0.047789 0.028448 -0.047930 0.019199 0.040920 0.044948 0Rh 1f+1 -0.025362 -0.142673 0.076551 0.135663 -0.050636 -0.016623 0Rh 1f-1 0.000396 -0.074789 -0.009625 0.088405 0.141935 -0.080206 0Rh 1f+2 -0.031414 -0.000164 -0.018545 0.014544 0.049229 0.273875 0Rh 1f-2 0.043422 0.019685 0.072865 0.229983 0.096578 0.017701 0Rh 1f+3 -0.104457 -0.187697 0.038329 -0.015129 -0.019693 -0.013437 0Rh 1f-3 -0.050536 -0.014535 0.007249 0.041868 0.061018 0.041398 1Rh 1s 0.000821 0.000566 -0.000180 -0.001149 -0.000314 0.000343 1Rh 2s -0.004700 0.003063 0.001887 0.005807 0.002489 -0.003790 1Rh 3s 0.001974 0.005201 0.000089 -0.003231 -0.000336 -0.000284 1Rh 4s 0.023910 -0.016271 -0.009655 -0.029398 -0.012723 0.019609 1Rh 5s -0.039104 0.064612 0.020319 0.042298 0.024488 -0.044853 1Rh 6s 0.004812 -0.185039 -0.022483 0.024206 -0.018773 0.071396 1Rh 7s 0.040762 1.290334 0.110056 -0.248900 0.078565 -0.723838 1Rh 8s 0.265869 -0.363148 0.135466 -0.026435 -0.132093 0.240699 1Rh 1pz 0.004448 0.002547 -0.007046 0.002665 -0.005158 -0.011973 1Rh 1px -0.004052 -0.013003 0.000729 -0.001319 -0.003367 0.002030 1Rh 1py -0.007152 0.000329 -0.004395 0.006887 0.007886 -0.001462 1Rh 2pz -0.015041 -0.009229 0.023090 -0.009302 0.018424 0.041873 1Rh 2px 0.015449 0.045225 -0.003435 0.004725 0.011833 -0.006922 1Rh 2py 0.023592 -0.000993 0.014405 -0.023866 -0.027672 0.005366 1Rh 3pz -0.004182 0.011497 0.022862 0.003771 -0.016518 -0.019352 1Rh 3px -0.034600 -0.016390 0.020467 -0.004664 -0.006716 -0.000537 1Rh 3py 0.019768 -0.003143 0.014006 0.006249 0.014689 -0.007729 1Rh 4pz 0.123387 0.015303 -0.258789 0.049825 -0.061860 -0.209663 1Rh 4px 0.036296 -0.245515 -0.061234 -0.012130 -0.054471 0.052504 1Rh 4py -0.249040 0.021622 -0.159284 0.139779 0.130783 -0.006756 1Rh 5pz -0.239713 -0.023809 0.501339 -0.098295 0.130628 0.386010 1Rh 5px -0.066503 0.477608 0.119592 0.010012 0.101979 -0.123183 1Rh 5py 0.483190 -0.049285 0.304732 -0.259386 -0.237394 0.020689 1Rh 6pz -0.002627 -0.418966 -0.232038 0.176502 -0.108850 0.231974 1Rh 6px -0.002836 -0.890431 -0.270082 0.260430 0.023138 0.583829 1Rh 6py -0.310282 0.182205 0.011359 -0.026655 -0.341674 -0.036676 1Rh 1dz2 0.005936 0.021138 0.007182 -0.009591 0.005881 0.005895 1Rh 1dxz -0.000497 -0.021432 -0.004646 0.019362 -0.003171 -0.010481 1Rh 1dyz 0.000100 -0.009995 0.002322 -0.006844 0.000433 0.000109 1Rh 1dx2y2 0.010479 -0.023282 -0.001240 -0.005701 -0.006912 -0.000770 1Rh 1dxy -0.002656 0.013728 -0.003273 0.020881 0.010169 -0.001437 1Rh 2dz2 -0.002021 -0.000183 0.001165 0.003034 0.000425 -0.000549 1Rh 2dxz 0.001135 0.000479 -0.003255 -0.001744 0.000880 -0.001694 1Rh 2dyz 0.000329 0.002965 0.000355 0.008545 -0.004285 0.000475 1Rh 2dx2y2 0.001106 0.002239 0.000286 0.000967 0.001134 0.000753 1Rh 2dxy -0.003051 0.001038 -0.001932 0.002749 -0.000472 0.000456 1Rh 3dz2 -0.007024 -0.055894 -0.024248 0.012023 -0.017462 -0.013717 1Rh 3dxz -0.003448 0.055903 0.026625 -0.044868 0.004805 0.035731 1Rh 3dyz -0.001395 0.013598 -0.007583 -0.020021 0.017970 -0.002414 1Rh 3dx2y2 -0.033115 0.052229 0.002036 0.011158 0.013910 -0.001092 1Rh 3dxy 0.020349 -0.041787 0.017228 -0.068883 -0.025332 0.001935 1Rh 4dz2 -0.029734 -0.007621 0.010960 0.050894 0.000265 -0.005449 1Rh 4dxz 0.012912 0.005292 -0.041292 -0.024136 0.011147 -0.020195 1Rh 4dyz -0.001304 0.046583 -0.000854 0.132013 -0.063376 0.007016 1Rh 4dx2y2 0.014353 0.041994 0.004989 0.013890 0.013835 0.008019 1Rh 4dxy -0.038646 0.016039 -0.025197 0.040128 -0.009687 0.005764 1Rh 5dz2 0.140386 0.157372 0.060203 -0.253137 0.067244 0.007391 1Rh 5dxz -0.037510 -0.072518 0.097384 0.171001 -0.036998 -0.018854 1Rh 5dyz 0.084433 -0.225908 0.115547 -0.523077 0.234161 -0.035841 1Rh 5dx2y2 0.014273 -0.333306 -0.036029 -0.076112 -0.072171 0.018052 1Rh 5dxy 0.102484 -0.018365 0.074558 -0.052075 0.090681 -0.012360 1Rh 1f0 0.047050 -0.024380 -0.053192 -0.019073 -0.058130 -0.021702 1Rh 1f+1 -0.011197 0.129512 0.094890 -0.138769 0.067624 -0.007805 1Rh 1f-1 0.007888 0.073163 0.007490 -0.085283 -0.144699 0.079319 1Rh 1f+2 -0.031105 0.005466 -0.021573 -0.014997 -0.048173 -0.289051 1Rh 1f-2 0.036856 -0.035969 0.068450 -0.233678 -0.071138 -0.047023 1Rh 1f+3 -0.083236 0.186941 0.068668 0.015402 0.037239 -0.018320 1Rh 1f-3 -0.051606 0.018946 0.008532 -0.039872 -0.055411 -0.057136 2C 1s -0.001440 0.003343 -0.006402 0.001794 0.000806 -0.002253 2C 2s 0.001727 0.004867 -0.010374 0.011235 0.001978 -0.011506 2C 3s -0.078627 0.018384 -0.098631 -0.165154 -0.012394 0.069372 2C 4s 0.484402 -0.404621 1.358121 0.342593 0.043678 0.082627 2C 5s -1.852260 0.851266 -2.591968 0.120044 -0.689594 0.676355 2C 1pz 0.007831 -0.051504 0.121208 -0.041504 -0.048619 0.051911 2C 1px -0.010573 -0.080020 0.062031 0.186576 0.013530 -0.080545 2C 1py 0.072154 -0.020008 0.062748 -0.051810 0.072618 -0.089120 2C 2pz 0.294108 -0.391289 0.834361 0.251647 0.238996 -0.127077 2C 2px 0.141811 0.266739 0.012931 -0.437040 0.005372 0.158424 2C 2py 0.109776 -0.264383 0.609503 0.213148 -0.417085 0.420327 2C 3pz -0.308632 0.174887 -0.386163 0.035590 -0.102125 0.078873 2C 3px -0.151460 0.072585 -0.399058 0.201748 0.005151 -0.096348 2C 3py -0.247304 0.050297 -0.210854 0.051259 -0.168995 0.088932 2C 1dz2 -0.006816 0.007535 -0.030861 -0.004927 0.082193 -0.066723 2C 1dxz -0.003666 0.053239 -0.022138 -0.086534 0.026365 0.040076 2C 1dyz -0.013055 0.015433 -0.019052 0.012506 -0.015193 0.005847 2C 1dx2y2 0.009508 0.005763 -0.000254 -0.006199 0.069725 -0.068236 2C 1dxy -0.001725 0.009549 0.017423 -0.025507 -0.067516 0.104062 2C 2dz2 0.087799 -0.154732 0.312372 0.075330 -0.158058 0.222000 2C 2dxz 0.123870 -0.057658 0.044194 0.055465 -0.085087 -0.098760 2C 2dyz 0.101485 -0.113557 0.347005 0.077971 -0.007348 0.040377 2C 2dx2y2 0.024786 0.059163 -0.039597 0.064831 -0.165157 0.155247 2C 2dxy -0.025892 0.004447 -0.010733 0.027483 0.274100 -0.270340 2C 1f0 -0.002505 0.031065 -0.040250 -0.010862 0.094752 -0.106986 2C 1f+1 0.002398 -0.004514 0.030392 0.029547 -0.022668 0.015807 2C 1f-1 0.004753 -0.030894 0.062824 -0.013079 -0.009545 0.050882 2C 1f+2 0.019427 -0.028414 0.036688 -0.020250 0.019183 0.012564 2C 1f-2 -0.026451 0.051490 -0.065465 -0.076530 0.021110 0.040069 2C 1f+3 0.069115 -0.032605 0.082637 0.007035 0.035347 -0.065285 2C 1f-3 0.016580 -0.010728 0.024898 0.063071 -0.014199 -0.045462 3C 1s 0.006342 0.002132 -0.000541 -0.001605 -0.000156 -0.001241 3C 2s 0.009063 0.001254 0.001237 -0.009141 -0.001035 -0.005348 3C 3s 0.095117 0.051397 -0.043391 0.098988 0.031250 0.008011 3C 4s -1.277450 -0.321183 0.280846 -0.135527 -0.222273 0.151617 3C 5s 2.787435 0.730647 -1.034899 -0.458611 1.118948 0.865591 3C 1pz -0.046844 0.071767 0.031478 0.096199 -0.070455 -0.043145 3C 1px -0.121196 -0.112388 -0.014813 -0.077767 -0.092063 -0.088854 3C 1py 0.114732 0.033207 -0.027053 0.017989 -0.070778 -0.033400 3C 2pz -0.542301 -0.431835 0.020045 -0.247775 0.271939 0.104364 3C 2px -0.152673 0.326989 0.208339 0.184641 0.334233 0.315410 3C 2py 0.829715 0.311994 -0.094568 0.077417 0.413041 -0.064623 3C 3pz 0.042798 0.085780 -0.134236 -0.030787 0.144061 0.111851 3C 3px 0.291838 -0.014254 -0.063706 -0.131283 0.175964 0.008215 3C 3py -0.557424 -0.183376 0.154126 0.139688 -0.186865 -0.187672 3C 1dz2 0.001181 -0.018975 -0.004222 -0.031046 0.012820 -0.025741 3C 1dxz -0.001642 0.010239 0.011899 0.032938 0.121792 0.067569 3C 1dyz -0.015221 0.018154 0.003523 0.040027 -0.017110 0.019234 3C 1dx2y2 -0.039334 -0.010052 0.019149 -0.012830 0.111275 0.046932 3C 1dxy -0.018366 -0.054823 -0.000026 -0.057050 -0.017276 -0.030781 3C 2dz2 0.084841 0.045192 -0.021499 0.117388 0.057017 -0.073332 3C 2dxz 0.068477 0.003934 -0.019417 -0.063015 -0.355067 -0.160897 3C 2dyz 0.345843 0.124558 0.015416 -0.029293 0.059607 -0.139214 3C 2dx2y2 0.295964 0.147529 -0.062743 0.009925 -0.251398 -0.103169 3C 2dxy 0.126716 -0.007869 -0.110753 0.090651 0.027525 0.100026 3C 1f0 0.077441 0.008233 -0.016360 -0.024916 0.076427 0.043497 3C 1f+1 0.012332 0.010857 0.001506 -0.038688 -0.008703 -0.017841 3C 1f-1 0.070773 0.058568 -0.020624 0.051947 -0.079187 -0.012583 3C 1f+2 -0.071835 -0.023210 0.026259 -0.034980 -0.005266 -0.018367 3C 1f-2 -0.031852 -0.038227 0.000097 -0.005219 -0.005394 -0.001281 3C 1f+3 -0.057147 -0.032031 0.015881 -0.001611 0.077250 0.061289 3C 1f-3 0.044067 0.013228 -0.003305 0.053065 0.067937 0.038917 4C 1s -0.005202 0.014410 -0.038370 -0.006522 -0.000538 -0.004714 4C 2s -0.016101 0.046191 -0.124842 -0.021718 -0.001757 -0.017210 4C 3s 0.198343 -0.384802 1.227575 0.392372 -0.028728 0.088588 4C 4s -0.734982 0.374375 -2.467247 -1.157928 0.213625 0.358664 4C 5s 1.040161 -0.604019 2.018066 0.329105 0.391178 -0.283953 4C 1pz -0.100785 -0.062848 0.021761 0.111241 0.035440 0.032997 4C 1px -0.024379 0.183482 -0.021461 -0.256415 -0.085011 0.084841 4C 1py -0.029519 0.012290 0.011028 0.002979 -0.052210 0.083934 4C 2pz 0.304310 -0.261539 0.641245 -0.157477 -0.064022 0.124998 4C 2px 0.428472 -0.176957 -0.075482 0.237788 0.378729 -0.103049 4C 2py 0.182994 -0.193698 0.355726 -0.059060 0.154485 0.015359 4C 3pz -0.876815 0.484265 -1.310857 0.501116 -0.318738 -0.086853 4C 3px 0.297292 0.268714 0.101447 -0.082567 -0.047003 -0.228563 4C 3py -0.440316 0.362064 -0.752595 0.359453 -0.288180 -0.014030 4C 1dz2 -0.003341 0.035083 -0.010679 -0.014229 -0.027379 0.014688 4C 1dxz -0.016072 -0.034555 0.022893 -0.001317 -0.004507 0.030771 4C 1dyz -0.013153 0.034422 -0.031877 -0.014992 0.024680 0.000876 4C 1dx2y2 0.015471 0.011304 -0.042956 0.021487 -0.026505 -0.036265 4C 1dxy -0.022723 -0.001096 -0.019014 0.019322 -0.008220 0.016402 4C 2dz2 -0.052525 0.226052 -0.519779 0.089174 -0.072345 -0.105288 4C 2dxz 0.059024 0.301948 -0.676597 -0.029795 0.284460 -0.382598 4C 2dyz -0.245071 0.325749 -0.809233 -0.026692 0.038975 -0.242971 4C 2dx2y2 0.147560 -0.180040 0.466851 -0.259265 0.223403 -0.002739 4C 2dxy 0.134245 0.006770 -0.125740 -0.084071 -0.068641 0.134087 4C 1f0 -0.007482 0.006641 -0.024237 0.022145 0.071227 -0.064113 4C 1f+1 -0.000906 0.034618 -0.018850 -0.010185 0.006158 -0.024039 4C 1f-1 -0.018279 -0.029432 0.004355 0.042485 0.001321 -0.007441 4C 1f+2 -0.008319 0.000904 0.008280 -0.063995 0.055546 -0.002130 4C 1f-2 0.004772 0.035359 0.002306 -0.040585 0.003394 0.031537 4C 1f+3 -0.009707 0.006453 0.020353 0.003287 -0.034938 0.048031 4C 1f-3 0.008446 -0.009485 -0.008669 0.044495 -0.022897 0.010693 5C 1s 0.037968 0.011265 -0.002652 0.001943 0.000583 -0.002603 5C 2s 0.123036 0.037211 -0.007911 0.005682 0.002411 -0.009079 5C 3s -1.184660 -0.337438 0.103129 -0.152192 -0.011548 0.170472 5C 4s 2.275218 0.313719 -0.454187 0.562129 0.069679 -0.447181 5C 5s -2.053286 -0.501924 0.444622 -0.154116 -0.419313 -0.572897 5C 1pz -0.013511 -0.125404 0.011530 -0.058830 0.040165 0.005113 5C 1px 0.061195 0.264625 -0.013853 0.109971 0.065414 0.137893 5C 1py 0.018956 0.061834 0.079672 0.016571 -0.004499 -0.018788 5C 2pz -0.420208 -0.043687 -0.171209 0.117156 -0.136448 0.061865 5C 2px -0.159207 -0.214983 0.456228 -0.133542 -0.067689 -0.345670 5C 2py 0.607969 0.221919 -0.197016 -0.080878 0.142145 0.010274 5C 3pz 0.922593 0.190917 -0.237698 -0.426097 0.527931 0.216630 5C 3px 0.338913 0.492266 -0.103415 -0.254643 0.024293 0.134568 5C 3py -1.360471 -0.515198 0.452715 0.631412 -0.604121 -0.201071 5C 1dz2 -0.046011 -0.003027 0.003442 0.013127 -0.046791 0.016952 5C 1dxz -0.014316 -0.025252 -0.005168 0.024033 0.001939 0.018228 5C 1dyz -0.039915 -0.043640 -0.004364 -0.000785 0.023219 -0.014083 5C 1dx2y2 0.012027 -0.027024 -0.001578 -0.026656 0.001124 0.008776 5C 1dxy -0.005297 0.021068 0.021772 -0.004354 0.000723 0.003320 5C 2dz2 0.006864 -0.056421 -0.160592 -0.056457 -0.045723 0.055834 5C 2dxz 0.428386 0.082764 0.039171 -0.070948 0.363596 -0.015327 5C 2dyz -0.510902 -0.089682 0.199638 0.003612 -0.136812 0.080752 5C 2dx2y2 -0.641234 -0.103070 0.156279 0.042864 0.006531 0.024004 5C 2dxy -0.817498 -0.374240 -0.143956 0.071475 0.180790 0.279597 5C 1f0 0.018139 0.026757 0.017763 -0.017165 -0.022948 -0.014225 5C 1f+1 0.008802 -0.025358 0.007969 -0.012147 0.036649 0.013827 5C 1f-1 0.008940 0.048985 -0.014178 0.045039 -0.067147 0.001796 5C 1f+2 -0.007197 0.032148 0.001795 0.028455 0.037935 0.007174 5C 1f-2 -0.009101 -0.031930 -0.016489 0.016942 -0.058935 -0.018966 5C 1f+3 0.006974 0.021086 -0.006433 -0.007632 0.014527 0.037453 5C 1f-3 -0.022108 0.031594 0.018652 0.040992 0.046646 0.030131 6C 1s -0.036088 0.015540 0.004862 0.002342 0.001366 -0.003521 6C 2s -0.116898 0.051207 0.015175 0.006944 0.004783 -0.012009 6C 3s 1.134919 -0.470093 -0.165181 -0.165841 -0.012476 0.177208 6C 4s -2.252487 0.539370 0.498209 0.598793 -0.024329 -0.356194 6C 5s 1.950793 -0.684495 -0.530783 -0.187318 -0.419201 -0.570611 6C 1pz 0.003660 0.124558 0.034591 0.056577 -0.033585 -0.013493 6C 1px 0.025988 -0.267272 -0.061240 -0.112058 -0.052213 -0.149569 6C 1py 0.009361 -0.077609 0.066688 -0.016533 0.002252 0.024845 6C 2pz -0.404835 0.116526 -0.161592 -0.104752 0.149976 -0.081628 6C 2px -0.140716 0.176649 0.493013 0.129470 -0.026042 0.452283 6C 2py 0.570904 -0.257729 -0.233523 0.073461 -0.148683 -0.002131 6C 3pz 0.906244 -0.269361 -0.260829 0.395182 -0.463841 -0.291072 6C 3px 0.269156 -0.502951 -0.187684 0.249736 -0.085030 -0.073106 6C 3py -1.308538 0.603065 0.524760 -0.594429 0.566727 0.256418 6C 1dz2 0.045341 -0.008486 -0.003922 0.012972 -0.045219 0.016381 6C 1dxz 0.011008 -0.027269 0.000642 0.024557 0.000815 0.018554 6C 1dyz 0.033748 -0.048585 -0.004244 -0.001601 0.018034 -0.009650 6C 1dx2y2 -0.015990 -0.024616 -0.003005 -0.026588 -0.000495 0.008389 6C 1dxy 0.008945 0.023329 -0.017563 -0.004559 0.004201 -0.000945 6C 2dz2 -0.012017 -0.080858 0.153085 -0.057784 -0.037602 0.052455 6C 2dxz -0.411251 0.142469 -0.023173 -0.064745 0.365416 -0.026334 6C 2dyz 0.501993 -0.126168 -0.215538 -0.001379 -0.110150 0.055395 6C 2dx2y2 0.620082 -0.163763 -0.184782 0.039413 0.002925 0.028956 6C 2dxy 0.754881 -0.490521 0.067784 0.060152 0.104136 0.365797 6C 1f0 0.014397 -0.031630 0.012595 0.017150 0.019212 0.018351 6C 1f+1 0.011879 0.022910 0.012289 0.011662 -0.034054 -0.016058 6C 1f-1 0.001907 -0.046725 -0.023461 -0.044329 0.061991 0.002842 6C 1f+2 -0.010841 -0.031075 -0.003420 -0.028277 -0.035631 -0.009670 6C 1f-2 -0.004236 0.034774 -0.010862 -0.016337 0.057792 0.020556 6C 1f+3 0.004037 -0.020730 -0.010353 0.007965 -0.016394 -0.035349 6C 1f-3 -0.025953 -0.030964 0.013756 -0.041440 -0.043839 -0.033256 7C 1s 0.006136 0.007170 0.040125 -0.007241 -0.000328 -0.004683 7C 2s 0.019020 0.022821 0.130447 -0.024113 -0.001660 -0.016500 7C 3s -0.214649 -0.160561 -1.273338 0.417137 -0.015606 0.067970 7C 4s 0.702514 -0.075505 2.507542 -1.213226 0.151608 0.437014 7C 5s -1.020243 -0.116510 -2.086447 0.385284 0.164972 -0.074858 7C 1pz -0.091181 0.073099 0.029419 -0.111607 -0.046190 -0.023828 7C 1px -0.042119 -0.177167 -0.046000 0.258741 0.062711 -0.061306 7C 1py -0.029252 -0.011622 0.006962 -0.001062 0.039511 -0.070338 7C 2pz 0.312313 0.097504 0.674548 0.137157 0.096198 -0.150303 7C 2px 0.436474 0.143185 -0.042121 -0.243286 -0.323367 0.056572 7C 2py 0.191947 0.107941 0.391285 0.043050 -0.113673 -0.051476 7C 3pz -0.887429 -0.177842 -1.402739 -0.466837 0.247885 0.137016 7C 3px 0.257157 -0.320527 0.072755 0.068966 0.079599 0.208619 7C 3py -0.461460 -0.197724 -0.820469 -0.335287 0.266534 0.034654 7C 1dz2 0.007494 0.031678 0.015643 -0.012870 -0.023322 0.011270 7C 1dxz 0.011677 -0.032704 -0.027312 -0.000238 0.007347 0.017954 7C 1dyz 0.016591 0.026815 0.036796 -0.016201 0.031768 -0.006008 7C 1dx2y2 -0.014434 0.006002 0.044362 0.021386 -0.029884 -0.032109 7C 1dxy 0.021690 -0.007193 0.019536 0.018679 -0.006131 0.013253 7C 2dz2 0.072812 0.124822 0.555479 0.079197 -0.045628 -0.125264 7C 2dxz -0.033034 0.185961 0.705182 -0.043223 0.254098 -0.342484 7C 2dyz 0.268921 0.158378 0.854551 -0.049253 0.025852 -0.219019 7C 2dx2y2 -0.163011 -0.073954 -0.502440 -0.243670 0.206505 0.016096 7C 2dxy -0.139494 0.008365 0.131589 -0.086917 -0.084142 0.137329 7C 1f0 -0.008407 -0.001021 -0.023334 -0.022307 -0.072429 0.064535 7C 1f+1 -0.004947 -0.030000 -0.023063 0.009983 -0.001348 0.017619 7C 1f-1 -0.014851 0.031132 0.008382 -0.042327 -0.005474 0.011021 7C 1f+2 -0.007529 -0.000650 0.009145 0.062815 -0.058941 0.004835 7C 1f-2 0.001416 -0.035741 -0.002620 0.040797 -0.003599 -0.032286 7C 1f+3 -0.010869 -0.008634 0.017541 -0.002774 0.032256 -0.044861 7C 1f-3 0.009418 0.009880 -0.008522 -0.044198 0.024438 -0.011379 8C 1s -0.006047 0.002848 0.001020 -0.001524 0.000170 -0.001508 8C 2s -0.008899 0.002738 -0.000646 -0.009088 0.000096 -0.006456 8C 3s -0.088570 0.055500 0.048048 0.100777 0.012481 0.024558 8C 4s 1.231552 -0.438170 -0.330601 -0.152503 -0.164254 0.106942 8C 5s -2.692740 0.899508 1.124551 -0.385852 0.999426 1.010489 8C 1pz -0.057034 -0.069453 0.018873 -0.093326 0.067405 0.047566 8C 1px -0.105097 0.128630 0.005688 0.082276 0.084173 0.090917 8C 1py 0.108586 -0.041765 -0.034691 -0.017374 0.056244 0.043805 8C 2pz -0.479328 0.493282 0.102281 0.251223 -0.248012 -0.136882 8C 2px -0.199047 -0.331533 0.151105 -0.188468 -0.339057 -0.302017 8C 2py 0.786662 -0.398244 -0.146595 -0.091531 -0.376147 0.035350 8C 3pz 0.036083 -0.065506 -0.140433 0.028285 -0.132122 -0.130414 8C 3px 0.300271 -0.016670 -0.058683 0.126240 -0.167673 -0.018724 8C 3py -0.528774 0.223805 0.182489 -0.123409 0.169051 0.209548 8C 1dz2 -0.003663 -0.019212 0.000667 -0.031035 0.014414 -0.025960 8C 1dxz 0.002772 0.011452 -0.011038 0.034318 0.111833 0.075774 8C 1dyz 0.018010 0.016429 -0.000042 0.039777 -0.016702 0.017888 8C 1dx2y2 0.037080 -0.011875 -0.022226 -0.012206 0.101233 0.054939 8C 1dxy 0.010908 -0.055853 -0.010144 -0.057981 -0.017350 -0.030434 8C 2dz2 -0.079479 0.049942 0.029317 0.116388 0.051498 -0.070708 8C 2dxz -0.065863 0.010572 0.024185 -0.064232 -0.331103 -0.185888 8C 2dyz -0.329015 0.169491 0.006639 -0.025887 0.053814 -0.135363 8C 2dx2y2 -0.272282 0.172897 0.091839 0.012396 -0.217313 -0.133486 8C 2dxy -0.128815 -0.005939 0.110719 0.094889 0.004043 0.118751 8C 1f0 0.076815 -0.016401 -0.017495 0.022584 -0.069185 -0.048959 8C 1f+1 0.008598 -0.011763 0.000119 0.039270 0.003166 0.023542 8C 1f-1 0.061522 -0.062023 -0.031572 -0.052117 0.070112 0.020161 8C 1f+2 -0.067737 0.026781 0.029762 0.035974 0.003359 0.022439 8C 1f-2 -0.027892 0.042281 0.007464 0.006704 0.008840 -0.000868 8C 1f+3 -0.053121 0.035866 0.022274 0.001324 -0.066128 -0.067889 8C 1f-3 0.041270 -0.016793 -0.004774 -0.054597 -0.058663 -0.047302 9C 1s 0.001840 0.002029 0.006881 0.001676 0.001036 -0.002377 9C 2s -0.000676 0.003254 0.011095 0.011082 0.001207 -0.010477 9C 3s 0.069627 -0.005945 0.100497 -0.170179 -0.009925 0.066490 9C 4s -0.481077 -0.121331 -1.413114 0.386510 0.056822 0.058435 9C 5s 1.824361 0.216101 2.730465 0.041875 -0.467366 0.475153 9C 1pz 0.013897 0.027177 0.127296 0.044815 0.056213 -0.056408 9C 1px -0.005478 0.070269 0.072864 -0.187321 0.015487 0.047949 9C 1py 0.073020 0.002100 0.067601 0.043741 -0.070960 0.085363 9C 2pz 0.310976 0.213139 0.893964 -0.282215 -0.234127 0.122858 9C 2px 0.113270 -0.281868 -0.026100 0.437593 -0.017973 -0.146044 9C 2py 0.127166 0.141053 0.641454 -0.222927 0.431737 -0.417445 9C 3pz -0.306084 -0.075888 -0.405983 -0.020338 0.053121 -0.035556 9C 3px -0.152770 0.012514 -0.416032 -0.189851 0.003102 0.078877 9C 3py -0.239376 0.010681 -0.233032 -0.050395 0.138956 -0.057932 9C 1dz2 0.007333 0.000784 0.029606 -0.004040 0.085004 -0.068525 9C 1dxz 0.009018 0.047010 0.029696 -0.086889 0.038802 0.029266 9C 1dyz 0.014826 0.010662 0.021995 0.011501 -0.013081 0.004451 9C 1dx2y2 -0.008378 0.006979 -0.000684 -0.005268 0.064268 -0.060350 9C 1dxy 0.002222 0.012663 -0.013121 -0.026537 -0.062335 0.096056 9C 2dz2 -0.097254 -0.088943 -0.326212 0.079078 -0.147176 0.203874 9C 2dxz -0.128804 -0.031055 -0.052645 0.061500 -0.112589 -0.076516 9C 2dyz -0.107106 -0.044012 -0.364675 0.090524 -0.024284 0.055589 9C 2dx2y2 -0.019709 0.052955 0.056563 0.062352 -0.190909 0.178173 9C 2dxy 0.025463 0.002821 0.001006 0.023898 0.229613 -0.218493 9C 1f0 -0.005672 -0.022676 -0.042343 0.009272 -0.089075 0.096742 9C 1f+1 0.001549 -0.002176 0.028118 -0.027874 0.029511 -0.020929 9C 1f-1 0.007929 0.019601 0.067708 0.011370 0.001229 -0.039565 9C 1f+2 0.023030 0.020005 0.043759 0.017225 -0.020807 -0.007226 9C 1f-2 -0.028847 -0.034754 -0.070349 0.076254 -0.039389 -0.022713 9C 1f+3 0.067882 0.009828 0.086759 -0.009158 -0.025931 0.052663 9C 1f-3 0.018583 0.004680 0.029506 -0.063826 0.030972 0.029109 10H 1s -0.041781 0.070904 -0.122292 0.114927 0.060372 -0.193509 10H 2s 0.139832 -0.383820 0.328579 0.071288 0.004934 -0.021225 10H 3s 0.172552 -0.053097 0.407333 0.000813 0.089337 -0.152040 10H 1pz -0.047660 -0.122809 0.108361 0.070395 -0.050562 0.073847 10H 1px -0.030198 0.034677 0.007283 0.038954 -0.033665 0.067511 10H 1py 0.062684 -0.012592 0.005173 -0.020686 0.056425 -0.088353 11H 1s -0.043625 0.123581 -0.182978 -0.240276 0.187002 -0.042491 11H 2s 0.140216 -0.121497 0.312668 0.243767 0.095856 -0.221491 11H 3s 0.138346 0.103312 -0.079105 -0.060316 0.222063 -0.241314 11H 1pz 0.004349 0.006056 0.028320 -0.022684 0.000699 0.004410 11H 1px 0.031167 -0.015305 0.055056 0.111161 0.108195 -0.158730 11H 1py 0.057614 -0.006295 0.014875 0.058856 -0.023699 -0.047705 12H 1s -0.118838 -0.005209 -0.037592 -0.047507 -0.248466 0.382045 12H 2s 0.325058 -0.031919 0.257881 0.102948 -0.113469 -0.185619 12H 3s 0.070821 -0.094345 0.180334 0.071696 -0.145832 0.111279 12H 1pz -0.015307 0.012919 -0.014076 0.009080 0.037277 -0.089581 12H 1px -0.006602 -0.062090 0.117703 0.178076 -0.060021 0.004535 12H 1py 0.075761 0.033629 0.011022 -0.065711 -0.074556 0.009971 13H 1s 0.100766 0.052070 -0.028861 -0.130300 -0.129210 -0.096346 13H 2s -0.268736 -0.366549 0.031226 -0.056039 -0.040215 -0.131715 13H 3s -0.360517 0.027276 0.082776 -0.035591 -0.202478 -0.101719 13H 1pz -0.009462 -0.030146 0.009890 0.033985 -0.103833 -0.146518 13H 1px -0.022894 0.011980 -0.005568 0.040367 -0.013276 -0.020390 13H 1py 0.088143 0.135213 0.038691 0.060303 -0.091687 -0.067460 14H 1s 0.087655 -0.018805 -0.011393 0.056013 0.375654 0.237370 14H 2s -0.360564 0.053124 0.157633 -0.046895 0.016673 -0.162766 14H 3s -0.240311 -0.102621 0.097339 -0.015239 0.201035 0.069419 14H 1pz 0.070644 0.125760 0.057718 0.111290 0.008307 -0.063818 14H 1px -0.153723 -0.039063 0.022839 -0.064637 0.098993 0.026169 14H 1py -0.010291 -0.011402 -0.006364 0.051097 0.037170 0.032944 15H 1s 0.192708 0.149419 -0.052885 0.202797 -0.206089 -0.074321 15H 2s -0.381397 -0.165111 0.082088 -0.246905 -0.084301 0.117597 15H 3s 0.109278 0.108402 0.086022 0.099035 -0.231037 -0.187467 15H 1pz 0.015184 0.018410 0.016549 -0.002331 0.076538 -0.000498 15H 1px -0.106246 -0.056694 0.007338 -0.081384 -0.109075 -0.089901 15H 1py 0.050649 -0.005354 -0.011584 0.047485 -0.007046 -0.070684 16H 1s 0.063702 0.160016 -0.020951 0.182094 0.005931 -0.015306 16H 2s -0.222431 -0.465380 0.062758 -0.624852 -0.025981 0.047519 16H 3s 0.070826 0.208731 0.095139 0.216479 -0.005456 -0.012025 16H 1pz -0.120475 -0.152817 -0.009335 -0.239048 -0.005555 0.041503 16H 1px -0.005224 0.024212 -0.130001 0.102658 -0.003172 -0.008256 16H 1py -0.039055 -0.057622 -0.016704 -0.056643 0.005906 -0.030783 17H 1s -0.092159 0.009861 0.049511 -0.027979 0.071940 -0.015969 17H 2s 0.334905 -0.043312 -0.174493 0.073535 -0.231955 -0.023877 17H 3s -0.059074 -0.080864 0.008617 -0.016634 0.107627 0.029316 17H 1pz 0.017833 -0.045939 0.017340 -0.013574 0.035116 0.024777 17H 1px -0.169534 0.109795 0.096841 -0.062748 0.069671 -0.003466 17H 1py 0.058433 0.076891 0.009542 0.051794 -0.015939 -0.048995 18H 1s 0.098141 0.018330 -0.043650 -0.028112 0.125021 -0.073489 18H 2s -0.357834 -0.070257 0.155789 0.076260 -0.417186 0.171648 18H 3s 0.057260 -0.069992 -0.013872 -0.017169 0.188985 -0.056649 18H 1pz 0.016640 0.035838 0.023221 0.014716 -0.091477 0.028859 18H 1px -0.188645 -0.114943 0.078133 0.066534 -0.128297 0.063128 18H 1py 0.050894 -0.080544 0.000138 -0.052011 0.068839 -0.005815 19H 1s -0.041197 0.167209 0.054655 0.182606 -0.055083 0.040944 19H 2s 0.153763 -0.491488 -0.162922 -0.627889 0.178588 -0.147899 19H 3s -0.043468 0.232084 -0.052259 0.218491 -0.091444 0.068337 19H 1pz -0.097959 0.168250 0.023527 0.239829 -0.079674 0.043844 19H 1px -0.011914 -0.008823 -0.140677 -0.102286 0.028981 -0.017700 19H 1py -0.037677 0.063360 -0.007292 0.060832 -0.047520 0.070657 20H 1s -0.169695 0.160673 0.081447 0.202651 -0.187785 -0.088470 20H 2s 0.357402 -0.189708 -0.108317 -0.249419 -0.076592 0.100561 20H 3s -0.088335 0.132516 -0.056891 0.095751 -0.198483 -0.221636 20H 1pz 0.012817 -0.021705 0.014587 0.003170 -0.070219 -0.003966 20H 1px -0.099388 0.069327 0.017594 0.085145 0.093958 0.098910 20H 1py 0.049731 0.004086 -0.010409 -0.046150 0.001856 0.071712 21H 1s -0.092043 -0.007976 0.004481 0.063896 0.329994 0.273932 21H 2s 0.367922 0.026067 -0.148800 -0.060582 0.052625 -0.190341 21H 3s 0.219881 -0.111351 -0.114754 -0.017892 0.185323 0.076341 21H 1pz 0.051202 -0.140569 0.034866 -0.110287 -0.014968 0.070409 21H 1px -0.147275 0.057103 0.032124 0.068336 -0.099247 -0.029370 21H 1py -0.008877 0.012818 -0.004173 -0.050346 -0.027158 -0.043921 22H 1s -0.092678 0.058653 0.038166 -0.131112 -0.103390 -0.112687 22H 2s 0.216020 -0.386661 -0.096442 -0.059842 -0.080302 -0.105874 22H 3s 0.365711 -0.008015 -0.075937 -0.044067 -0.173419 -0.122571 22H 1pz -0.006422 0.029034 0.014531 -0.031471 0.099614 0.149866 22H 1px -0.025722 -0.006214 -0.008213 -0.038566 0.004044 0.022984 22H 1py 0.067381 -0.148677 0.013031 -0.059024 0.066399 0.088155 23H 1s 0.110980 -0.024174 0.045704 -0.057645 -0.210328 0.331386 23H 2s -0.312277 0.048583 -0.262205 0.124965 -0.193680 -0.101707 23H 3s -0.073521 -0.055370 -0.179037 0.072544 -0.146821 0.101030 23H 1pz -0.016145 -0.010336 -0.014816 -0.006913 -0.025125 0.075151 23H 1px -0.004012 0.042878 0.123878 -0.178776 0.102718 -0.048818 23H 1py 0.071277 -0.043191 0.006395 0.057749 0.077155 -0.011535 24H 1s 0.051304 0.081992 0.194500 -0.236077 0.237205 -0.086246 24H 2s -0.139417 -0.045724 -0.329734 0.234321 -0.006525 -0.114840 24H 3s -0.118422 0.097627 0.084476 -0.054679 0.232856 -0.244085 24H 1pz 0.003392 -0.013579 0.025744 0.029448 0.012803 -0.016654 24H 1px 0.028898 0.002581 0.059748 -0.111499 -0.074272 0.115270 24H 1py 0.057606 -0.002957 0.015523 -0.064467 0.035717 0.035109 25H 1s 0.047937 0.044176 0.128821 0.113416 0.023306 -0.148000 25H 2s -0.174129 -0.300499 -0.385030 0.079861 0.028721 -0.060390 25H 3s -0.167036 0.033352 -0.422272 0.012563 0.056440 -0.117131 25H 1pz -0.033999 0.106935 0.124428 -0.067312 0.041162 -0.058417 25H 1px -0.035728 -0.029112 0.000696 -0.038121 0.040587 -0.076875 25H 1py 0.061672 0.005729 0.009077 0.012435 -0.074830 0.102789 26O 1s 0.002051 -0.000816 0.005905 0.003627 -0.000181 -0.003577 26O 2s 0.005352 0.000666 0.016865 0.009934 -0.002511 -0.008445 26O 3s -0.004912 -0.055333 -0.055497 -0.046316 0.052654 0.005496 26O 4s -0.148571 0.330113 -0.187523 -0.016437 -0.258799 0.220810 26O 5s -0.235132 -0.356226 0.447003 0.539026 -0.052010 -0.441575 26O 1pz 0.005721 -0.099769 0.148393 0.059941 -0.018399 0.002495 26O 1px 0.005083 0.025844 -0.032436 -0.024351 -0.042285 0.040324 26O 1py -0.008089 -0.012549 0.029531 -0.010392 0.086596 -0.114552 26O 2pz -0.000629 0.080422 -0.147847 -0.085254 0.005512 0.089193 26O 2px 0.089078 -0.064074 0.004622 -0.061160 0.153436 -0.050894 26O 2py 0.001922 -0.027027 -0.048621 -0.059444 -0.034105 0.139033 26O 3pz 0.157573 -0.417455 0.941785 0.259996 -0.052528 0.014726 26O 3px 0.032507 -0.034491 -0.270510 -0.087494 0.041291 0.265467 26O 3py 0.364035 -0.086499 0.371373 0.024411 0.298195 -0.215756 26O 1dz2 -0.005641 -0.004769 0.009710 0.002961 -0.002893 -0.003940 26O 1dxz -0.002215 -0.001468 -0.004052 0.005919 0.000508 -0.008047 26O 1dyz 0.004754 -0.007856 0.008638 0.012890 0.006836 -0.009080 26O 1dx2y2 -0.004153 0.000052 -0.001179 -0.000117 -0.000237 0.001207 26O 1dxy -0.000323 -0.007130 -0.002853 0.007077 -0.000286 -0.004570 26O 2dz2 -0.048121 -0.058389 0.163823 0.008780 -0.026575 0.003884 26O 2dxz -0.070909 0.155373 -0.461807 0.057257 0.060067 -0.220923 26O 2dyz 0.112014 -0.051739 0.053507 0.180906 0.098593 -0.159584 26O 2dx2y2 -0.042751 -0.086004 0.087978 0.038401 0.095748 -0.133348 26O 2dxy -0.085101 -0.074875 -0.140332 0.221731 -0.128553 -0.013864 26O 1f0 0.002320 0.003589 0.002222 -0.001032 -0.000269 0.003059 26O 1f+1 -0.001722 -0.000297 0.006553 -0.001709 -0.004150 0.010288 26O 1f-1 0.000083 0.003111 -0.001824 -0.005807 -0.006570 0.008413 26O 1f+2 -0.000661 -0.002456 -0.000946 0.004661 0.002289 -0.005565 26O 1f-2 -0.001953 -0.002266 -0.002326 -0.001699 0.002429 0.003858 26O 1f+3 -0.005172 0.000994 0.001458 -0.001096 0.000600 0.004617 26O 1f-3 -0.001241 0.005545 0.007473 -0.003947 -0.006741 0.005091 27O 1s -0.004970 -0.002165 0.000055 -0.003676 -0.001629 -0.001714 27O 2s -0.014162 -0.004173 -0.000529 -0.010249 -0.002919 -0.002328 27O 3s 0.042059 -0.014819 0.022286 0.041432 -0.025474 -0.041751 27O 4s 0.194264 0.224683 -0.140047 0.065689 0.258070 0.314254 27O 5s -0.389763 -0.582766 -0.345854 -0.196379 -0.342611 -0.041280 27O 1pz -0.056346 -0.012282 -0.020146 -0.033568 -0.147449 -0.058791 27O 1px 0.035568 0.057761 -0.000097 -0.006715 0.012355 -0.007537 27O 1py 0.153428 0.071807 -0.012007 0.046154 -0.017590 -0.011447 27O 2pz 0.067179 0.008462 0.004554 0.035664 0.157401 0.102921 27O 2px -0.023869 -0.041695 0.119924 0.021324 -0.032390 -0.118771 27O 2py -0.132099 -0.034521 -0.020337 -0.080737 -0.045485 0.015087 27O 3pz -0.521339 -0.182431 0.043602 -0.068011 -0.506723 -0.133424 27O 3px 0.161342 0.004698 0.150283 -0.030613 -0.035520 -0.040997 27O 3py 0.834549 0.332636 0.131094 0.221866 0.120619 -0.059325 27O 1dz2 -0.000595 0.004072 0.003143 0.007363 -0.001286 -0.000274 27O 1dxz -0.000449 -0.003858 0.001459 -0.003307 -0.002839 -0.002219 27O 1dyz 0.011469 0.008260 -0.000953 0.005455 0.005553 0.006303 27O 1dx2y2 0.007821 -0.000612 0.002773 0.002695 0.004277 0.000083 27O 1dxy -0.000379 0.009369 -0.000329 0.005850 0.006666 0.008924 27O 2dz2 -0.045773 0.103143 0.081620 0.135434 -0.028262 0.003974 27O 2dxz 0.178021 -0.022664 -0.023441 -0.035686 0.214641 0.028042 27O 2dyz 0.264176 0.159057 -0.013775 0.104594 0.035086 0.042219 27O 2dx2y2 0.033366 -0.119753 -0.024009 0.030680 0.017888 0.015181 27O 2dxy -0.386695 0.008120 -0.001497 0.104199 0.135878 0.147449 27O 1f0 -0.003130 0.001120 0.002101 -0.005087 -0.001774 -0.003601 27O 1f+1 -0.004807 0.005559 -0.002552 0.002707 0.002507 0.007706 27O 1f-1 -0.000831 -0.002691 -0.001146 0.001229 -0.001773 -0.002908 27O 1f+2 -0.001773 -0.002097 -0.001214 -0.002810 -0.004283 -0.001496 27O 1f-2 -0.000134 0.001230 -0.001005 -0.004917 -0.004143 -0.004972 27O 1f+3 -0.002319 0.002996 -0.002440 0.003296 0.006758 0.009180 27O 1f-3 0.004395 -0.006095 -0.001054 -0.002804 -0.004483 -0.009087 28O 1s 0.000536 -0.001945 0.005057 0.000481 -0.001286 0.000572 28O 2s 0.000813 -0.006975 0.013906 0.005270 -0.002472 -0.000538 28O 3s 0.004719 0.038771 -0.023894 -0.100211 -0.016075 0.053485 28O 4s -0.065785 0.005383 -0.322784 0.431038 0.212740 -0.348338 28O 5s 0.603995 0.100846 0.058432 -0.088282 -0.120637 0.052016 28O 1pz 0.025715 -0.020711 0.065697 -0.023021 0.032688 -0.013443 28O 1px 0.031965 0.020935 0.044034 -0.125359 0.018814 0.023259 28O 1py 0.017373 -0.048215 0.087750 -0.017992 -0.115169 0.158419 28O 2pz -0.025297 0.027455 0.010808 -0.093270 -0.078824 -0.002865 28O 2px -0.000922 -0.023433 -0.130441 0.241811 0.048186 -0.107040 28O 2py -0.000820 0.069867 -0.068987 0.006147 0.123521 -0.177388 28O 3pz -0.379481 -0.541349 0.428441 0.130120 -0.077160 0.560573 28O 3px 0.223550 0.246576 0.209126 -0.235784 0.067141 -0.047008 28O 3py 0.071804 -0.401439 0.376128 0.017066 -0.209741 0.505347 28O 1dz2 -0.000973 0.004361 0.003703 -0.005423 -0.003506 0.006590 28O 1dxz -0.003535 -0.006208 0.005739 0.007310 0.002413 0.006048 28O 1dyz 0.002870 0.002785 0.005806 -0.008271 -0.004516 0.007697 28O 1dx2y2 -0.001477 0.003607 -0.003017 0.003162 0.000203 -0.001703 28O 1dxy 0.000334 -0.004644 0.003373 0.002320 -0.002890 0.002108 28O 2dz2 0.002749 0.102218 -0.171448 0.109872 -0.160027 0.082357 28O 2dxz -0.106109 -0.252769 0.331264 0.218195 0.002050 0.093162 28O 2dyz -0.031586 0.052979 -0.028417 0.011345 -0.016377 -0.011720 28O 2dx2y2 0.015558 0.080016 0.076860 -0.127873 -0.042394 0.076622 28O 2dxy 0.091665 -0.143096 0.304950 0.009050 -0.091506 0.165033 28O 1f0 -0.000776 -0.003280 0.003756 0.006841 -0.003486 0.003357 28O 1f+1 -0.000248 -0.011979 0.007216 0.013772 0.004279 -0.005247 28O 1f-1 0.000541 0.001316 -0.004084 -0.001302 0.005203 -0.010195 28O 1f+2 -0.001318 0.006893 -0.004926 -0.016664 -0.004119 0.005032 28O 1f-2 -0.001220 -0.003970 0.000542 0.007131 0.001324 -0.004820 28O 1f+3 0.000538 0.000177 0.000116 -0.002001 -0.006872 0.003700 28O 1f-3 0.001151 -0.002593 0.004041 0.006014 0.001665 -0.003149 29O 1s -0.005382 0.002065 0.000465 0.007035 0.002519 0.000830 29O 2s -0.017354 0.008919 0.002000 0.024123 0.008840 0.002301 29O 3s 0.097439 -0.107927 -0.028255 -0.178057 -0.070502 -0.005381 29O 4s -0.094936 0.357428 0.089956 0.302476 0.141614 -0.072286 29O 5s -0.026929 -0.286994 -0.009821 0.174342 0.034877 0.264540 29O 1pz 0.069504 0.126062 -0.069101 0.088931 -0.029021 0.026980 29O 1px 0.055416 -0.014237 0.014918 0.011811 -0.019275 -0.000370 29O 1py -0.024641 0.018633 0.001421 -0.016615 0.011176 -0.019615 29O 2pz -0.249034 -0.308880 0.090085 -0.366865 0.073952 -0.003902 29O 2px -0.134595 0.012935 0.027131 -0.021188 0.072703 0.031405 29O 2py 0.029719 -0.086707 -0.048683 -0.036452 -0.051638 0.019932 29O 3pz -0.066224 0.048610 0.136228 0.050309 -0.015367 0.096856 29O 3px 0.043917 0.104145 0.048754 -0.119974 -0.033254 -0.133485 29O 3py 0.097858 -0.052795 0.027889 -0.116647 -0.062268 -0.007413 29O 1dz2 -0.002227 -0.000511 0.001589 -0.005106 0.000031 0.000142 29O 1dxz 0.004798 -0.001308 -0.004836 0.001997 -0.001111 -0.003013 29O 1dyz -0.001513 -0.004224 0.000364 -0.004799 -0.000317 0.000237 29O 1dx2y2 0.000090 0.000090 0.000621 0.003347 0.000504 0.000680 29O 1dxy -0.005618 0.002223 -0.001476 0.002764 0.001861 0.000714 29O 2dz2 -0.071031 0.044870 0.039890 -0.036322 -0.001274 0.013845 29O 2dxz 0.007530 -0.036274 -0.146298 0.053359 -0.008732 -0.028712 29O 2dyz 0.098477 -0.068747 -0.050087 0.053590 -0.025003 -0.035197 29O 2dx2y2 0.050770 -0.098558 -0.041164 0.010944 -0.020577 0.066122 29O 2dxy -0.080214 0.040547 -0.073241 0.065348 0.015731 -0.003668 29O 1f0 -0.001053 -0.010512 -0.002473 -0.013766 -0.004076 0.002320 29O 1f+1 -0.002621 0.004640 0.001377 0.001545 0.002635 0.000913 29O 1f-1 -0.009145 -0.016688 -0.001710 -0.022991 -0.001963 0.002086 29O 1f+2 0.002851 0.005288 -0.000631 0.008292 0.000501 -0.001967 29O 1f-2 0.013480 -0.000276 -0.006086 0.009608 -0.008799 -0.001795 29O 1f+3 -0.003749 -0.001917 0.001129 -0.003262 0.001779 0.001530 29O 1f-3 -0.005108 -0.003461 0.003897 -0.008760 0.002793 0.001284 30O 1s -0.006084 -0.001863 0.002236 -0.001547 0.002897 0.000248 30O 2s -0.016724 -0.007924 0.006433 -0.007992 0.007638 -0.001501 30O 3s 0.035822 0.063387 -0.031031 0.101460 -0.021045 0.046440 30O 4s 0.315186 -0.087558 0.000318 -0.373647 -0.085321 -0.271219 30O 5s -0.109882 0.031418 0.615948 0.273615 0.122273 0.279298 30O 1pz -0.057057 -0.045256 0.007851 0.005059 0.151986 0.077543 30O 1px -0.056634 0.059327 0.038011 0.067063 0.061666 0.080791 30O 1py 0.076775 0.003665 -0.022539 -0.018610 0.044469 -0.027934 30O 2pz -0.003726 0.060421 -0.061046 0.045250 -0.191070 -0.078498 30O 2px 0.128109 -0.057937 0.012402 -0.150745 -0.067647 -0.131976 30O 2py -0.041103 -0.057107 0.043983 0.008632 0.028171 0.029931 30O 3pz -0.347515 -0.522249 0.027823 -0.019844 0.340143 0.230328 30O 3px -0.269091 0.188768 0.425937 0.138489 0.120534 0.093371 30O 3py 0.490068 0.674048 0.214228 -0.072059 -0.148533 -0.220824 30O 1dz2 0.004677 0.002446 0.003700 -0.000321 -0.002691 -0.001702 30O 1dxz -0.004209 -0.003641 0.003067 -0.000883 0.002220 0.002779 30O 1dyz 0.002122 -0.010881 -0.005315 -0.005870 -0.006929 -0.009973 30O 1dx2y2 0.003910 -0.005319 0.003156 -0.004617 -0.009826 -0.001446 30O 1dxy 0.005874 0.007863 -0.000286 -0.003410 -0.003524 -0.002411 30O 2dz2 0.227249 0.071294 -0.033682 -0.045662 -0.196869 -0.107871 30O 2dxz -0.182322 -0.224837 0.021986 -0.055032 0.017301 -0.002530 30O 2dyz -0.162825 -0.160651 -0.070829 -0.006263 -0.036208 -0.079186 30O 2dx2y2 -0.172363 0.071215 0.099257 0.072013 -0.149519 0.050151 30O 2dxy 0.315011 0.277001 0.077243 0.043689 0.032479 -0.010939 30O 1f0 -0.005522 -0.006037 -0.000744 -0.001658 -0.001228 0.002098 30O 1f+1 -0.002556 -0.004664 -0.000436 -0.001060 -0.000141 -0.002657 30O 1f-1 -0.000624 -0.003719 0.000836 -0.002288 0.005278 0.002324 30O 1f+2 -0.003146 -0.003240 0.000053 0.002050 0.010030 0.007211 30O 1f-2 0.005885 0.014118 -0.000541 0.011438 0.000790 0.008396 30O 1f+3 -0.003392 -0.006931 -0.003408 -0.008084 -0.009233 -0.006260 30O 1f-3 0.007205 0.009667 -0.001666 0.006041 0.001074 -0.002445 31O 1s 0.005828 -0.002219 -0.002624 -0.001537 0.001933 0.001107 31O 2s 0.015662 -0.008817 -0.008010 -0.007918 0.004738 0.001093 31O 3s -0.027988 0.062032 0.042767 0.100399 -0.011392 0.037873 31O 4s -0.324370 -0.047996 -0.014569 -0.370079 -0.048077 -0.302827 31O 5s 0.160187 0.092969 -0.587209 0.276028 0.210904 0.143807 31O 1pz -0.049673 0.050934 0.018796 -0.005709 -0.137492 -0.088742 31O 1px -0.064943 -0.057292 0.028761 -0.067638 -0.056150 -0.081252 31O 1py 0.075019 -0.009682 -0.022932 0.018034 -0.037410 0.018668 31O 2pz -0.009973 -0.051674 -0.073400 -0.042777 0.191537 0.072055 31O 2px 0.132547 0.041564 0.020215 0.150310 0.037137 0.157965 31O 2py -0.035336 0.056244 0.053058 -0.009555 -0.042068 -0.012435 31O 3pz -0.264610 0.548145 0.129717 0.014807 -0.249525 -0.316598 31O 3px -0.309823 -0.206774 0.389699 -0.142582 -0.123062 -0.070898 31O 3py 0.385098 -0.755364 0.086767 0.077076 0.033169 0.339513 31O 1dz2 -0.004262 0.003528 -0.003146 -0.000263 -0.001929 -0.002487 31O 1dxz 0.003650 -0.003653 -0.003780 -0.000856 0.002082 0.002748 31O 1dyz -0.003590 -0.011249 0.003314 -0.005866 -0.006978 -0.009709 31O 1dx2y2 -0.004486 -0.004229 -0.003849 -0.004499 -0.009394 -0.001988 31O 1dxy -0.004866 0.008534 0.001715 -0.003476 -0.002946 -0.002842 31O 2dz2 -0.215779 0.092707 0.049815 -0.044790 -0.163190 -0.139626 31O 2dxz 0.147572 -0.238805 -0.063579 -0.056272 -0.001913 0.017629 31O 2dyz 0.136460 -0.189543 0.037611 -0.010340 -0.040266 -0.067249 31O 2dx2y2 0.182467 0.061042 -0.087375 0.070540 -0.134948 0.036816 31O 2dxy -0.272614 0.325096 -0.025165 0.045332 0.056299 -0.039400 31O 1f0 -0.004728 0.006920 0.000360 0.001733 0.000719 -0.001744 31O 1f+1 -0.001979 0.004967 0.000348 0.001161 0.000172 0.002602 31O 1f-1 -0.000095 0.003569 0.001496 0.002269 -0.004981 -0.002328 31O 1f+2 -0.002586 0.003556 0.000704 -0.002094 -0.008635 -0.008391 31O 1f-2 0.004020 -0.014671 -0.003117 -0.011486 -0.000730 -0.008298 31O 1f+3 -0.002362 0.007791 -0.002135 0.008227 0.009368 0.005966 31O 1f-3 0.005932 -0.010245 -0.003311 -0.006048 -0.000655 0.002169 32O 1s 0.006022 0.002016 0.000298 0.007047 0.001415 0.002050 32O 2s 0.019765 0.008961 0.000939 0.024148 0.005280 0.006204 32O 3s -0.120301 -0.114248 -0.000821 -0.177976 -0.050088 -0.027172 32O 4s 0.155480 0.385096 -0.009002 0.301518 0.117034 -0.048052 32O 5s -0.002362 -0.283227 -0.035903 0.176400 0.041910 0.254829 32O 1pz 0.054731 -0.119668 -0.091500 -0.087942 0.078602 -0.073619 32O 1px 0.057518 0.010080 0.018845 -0.012402 0.037352 -0.024894 32O 1py -0.025185 -0.020678 -0.005047 0.013650 -0.010628 0.021626 32O 2pz -0.215191 0.310019 0.149471 0.367373 -0.274329 0.199555 32O 2px -0.141802 -0.016944 0.019747 0.021019 -0.143499 0.047503 32O 2py 0.039205 0.107786 -0.023466 0.046073 0.059603 -0.034224 32O 3pz -0.070048 -0.061714 0.126055 -0.052128 0.044640 -0.122101 32O 3px 0.038382 -0.108166 0.038223 0.118862 0.039172 0.122603 32O 3py 0.107995 0.041531 0.037970 0.114692 0.053963 0.015954 32O 1dz2 0.002019 -0.000333 -0.001831 -0.004938 0.001889 -0.002038 32O 1dxz -0.005209 -0.001632 0.004556 0.002074 -0.002538 -0.001810 32O 1dyz 0.001110 -0.004224 -0.001140 -0.004907 0.002661 -0.002754 32O 1dx2y2 0.000034 0.000474 -0.000426 0.003469 -0.000274 0.001563 32O 1dxy 0.006002 0.001481 0.001953 0.002745 0.002754 -0.000126 32O 2dz2 0.077676 0.042289 -0.035628 -0.039942 -0.005849 0.019735 32O 2dxz -0.010300 -0.055988 0.142139 0.050322 -0.015093 -0.019417 32O 2dyz -0.103368 -0.065596 0.042960 0.055989 -0.038972 -0.018057 32O 2dx2y2 -0.062005 -0.098834 0.023771 0.009775 -0.013881 0.057435 32O 2dxy 0.086502 0.018505 0.084703 0.064053 0.000726 0.010690 32O 1f0 0.001056 0.010764 -0.000143 0.012534 0.002463 -0.001029 32O 1f+1 -0.003936 -0.005316 0.000597 -0.001510 -0.004619 0.000835 32O 1f-1 -0.006544 0.018770 0.001876 0.023463 -0.004618 0.004370 32O 1f+2 0.002028 -0.006221 -0.001668 -0.008755 0.001946 -0.000674 32O 1f-2 0.014249 0.000425 -0.005930 -0.010301 0.018586 -0.008167 32O 1f+3 -0.003102 0.001834 0.001108 0.002858 -0.003809 0.000800 32O 1f-3 -0.004939 0.003073 0.004446 0.009058 -0.007618 0.003637 33O 1s -0.000689 -0.000795 -0.005283 0.000471 -0.001722 0.001041 33O 2s -0.001403 -0.003828 -0.014799 0.005229 -0.003720 0.000796 33O 3s -0.001257 0.032557 0.029828 -0.099508 -0.006865 0.043494 33O 4s 0.064012 -0.059754 0.319926 0.427145 0.161628 -0.291178 33O 5s -0.580446 0.151406 -0.062740 -0.093892 -0.037866 -0.050666 33O 1pz 0.027433 0.006365 0.068030 0.022280 -0.026684 0.006015 33O 1px 0.030839 -0.032639 0.043430 0.124917 -0.026185 -0.014205 33O 1py 0.024553 0.029629 0.090612 0.017857 0.110696 -0.146944 33O 2pz -0.028598 -0.030499 0.008288 0.091427 0.071953 0.011468 33O 2px 0.001335 0.049375 -0.126386 -0.240575 -0.026165 0.082986 33O 2py -0.010984 -0.057274 -0.074251 -0.007061 -0.118738 0.166236 33O 3pz -0.310751 0.487395 0.497846 -0.127515 0.036439 -0.520771 33O 3px 0.187808 -0.285313 0.180459 0.236910 -0.120621 0.105907 33O 3py 0.119985 0.317538 0.425612 -0.019130 0.159970 -0.445065 33O 1dz2 0.001422 0.004805 -0.002866 -0.005466 -0.004242 0.007367 33O 1dxz 0.002899 -0.005744 -0.006389 0.007326 0.003434 0.004895 33O 1dyz -0.002604 0.004090 -0.005143 -0.008247 -0.005095 0.008279 33O 1dx2y2 0.001973 0.002855 0.003469 0.003045 0.000627 -0.002096 33O 1dxy -0.000741 -0.004032 -0.003905 0.002327 -0.001987 0.001051 33O 2dz2 0.009945 0.071657 0.191988 0.104159 -0.142341 0.060757 33O 2dxz 0.081761 -0.204372 -0.359759 0.222720 -0.002670 0.098826 33O 2dyz 0.039244 0.042533 0.034703 0.007913 -0.000701 -0.024109 33O 2dx2y2 -0.007345 0.092451 -0.066637 -0.128551 -0.033858 0.065170 33O 2dxy -0.104319 -0.078431 -0.319623 0.015529 -0.074040 0.141839 33O 1f0 -0.000522 0.002804 0.004078 -0.006903 0.004034 -0.003782 33O 1f+1 0.000964 0.010680 0.009003 -0.013846 -0.003869 0.004884 33O 1f-1 0.000314 -0.000846 -0.003806 0.001257 -0.005066 0.009945 33O 1f+2 -0.001840 -0.006000 -0.005962 0.016859 0.004021 -0.004935 33O 1f-2 -0.000781 0.003990 0.001223 -0.007265 -0.000901 0.004403 33O 1f+3 0.000564 -0.000499 -0.000089 0.002150 0.007007 -0.003529 33O 1f-3 0.001237 0.001853 0.004499 -0.006316 -0.001586 0.002979 34O 1s 0.004639 -0.002787 -0.000492 -0.003774 -0.001519 -0.001871 34O 2s 0.013463 -0.006102 -0.000382 -0.010515 -0.002597 -0.002732 34O 3s -0.043134 -0.005332 -0.024246 0.042086 -0.024393 -0.042903 34O 4s -0.167196 0.225339 0.181070 0.072138 0.223582 0.346982 34O 5s 0.329282 -0.664659 0.253154 -0.227527 -0.341814 -0.016637 34O 1pz -0.054979 0.022404 -0.018575 0.035807 0.138628 0.062881 34O 1px 0.028230 -0.062284 -0.010644 0.006037 -0.011518 0.008750 34O 1py 0.141735 -0.087400 -0.027209 -0.048429 0.006670 0.024501 34O 2pz 0.067264 -0.017735 0.003921 -0.038596 -0.145551 -0.109154 34O 2px -0.018029 0.027973 0.129916 -0.022108 0.012899 0.140017 34O 2py -0.126887 0.052730 -0.013393 0.084344 0.051370 -0.023682 34O 3pz -0.499010 0.243878 0.071773 0.082873 0.450957 0.171686 34O 3px 0.162229 -0.037352 0.148947 0.018876 0.011336 0.063644 34O 3py 0.785253 -0.457388 0.061207 -0.242637 -0.100519 0.055343 34O 1dz2 0.001277 0.004436 -0.002336 0.007399 -0.001144 -0.000206 34O 1dxz -0.000085 -0.003606 -0.002140 -0.003258 -0.003441 -0.001750 34O 1dyz -0.010384 0.009349 0.002474 0.005665 0.005736 0.005912 34O 1dx2y2 -0.007838 0.000788 -0.002893 0.002819 0.004419 -0.000152 34O 1dxy 0.001609 0.009087 0.001901 0.005816 0.006858 0.008988 34O 2dz2 0.059925 0.108192 -0.062002 0.137291 -0.034701 0.009315 34O 2dxz -0.181260 -0.001534 0.019228 -0.032741 0.199621 0.039393 34O 2dyz -0.242091 0.187465 0.043477 0.110549 0.023600 0.048961 34O 2dx2y2 -0.048126 -0.116194 0.002748 0.029705 0.003959 0.030537 34O 2dxy 0.382387 -0.043190 -0.004369 0.102006 0.105019 0.178252 34O 1f0 -0.003260 -0.001027 0.001961 0.005149 0.001605 0.003702 34O 1f+1 -0.005489 -0.004526 -0.003577 -0.002584 -0.001965 -0.008219 34O 1f-1 -0.000495 0.002926 -0.000685 -0.001196 0.001877 0.002731 34O 1f+2 -0.001546 0.002336 -0.000878 0.002782 0.004410 0.001385 34O 1f-2 -0.000294 -0.001029 -0.001195 0.004978 0.004313 0.004626 34O 1f+3 -0.002619 -0.002244 -0.002929 -0.003382 -0.005886 -0.010227 34O 1f-3 0.005261 0.005528 0.000056 0.002795 0.004525 0.009064 35O 1s -0.001983 0.000512 -0.005966 0.003770 -0.001390 -0.002455 35O 2s -0.004810 0.004354 -0.016503 0.010340 -0.006054 -0.005129 35O 3s -0.003282 -0.065069 0.044317 -0.047277 0.064930 -0.006269 35O 4s 0.183494 0.274611 0.248830 -0.025653 -0.211668 0.175232 35O 5s 0.202711 -0.328197 -0.512615 0.547776 -0.062707 -0.411740 35O 1pz 0.015430 0.071610 0.162532 -0.062150 0.029626 -0.013322 35O 1px 0.002842 -0.022783 -0.037398 0.026704 0.037692 -0.032632 35O 1py -0.006594 0.008485 0.036321 0.008149 -0.077497 0.100068 35O 2pz -0.007232 -0.054099 -0.161564 0.087340 -0.029187 -0.064677 35O 2px 0.096719 0.050421 0.017776 0.057182 -0.125881 0.022921 35O 2py 0.006929 0.032905 -0.047662 0.061797 0.032299 -0.130906 35O 3pz 0.186117 0.233309 1.008399 -0.288409 0.164575 -0.116216 35O 3px 0.038545 0.059006 -0.262406 0.092945 -0.002924 -0.297806 35O 3py 0.357279 -0.025567 0.397951 -0.045099 -0.222770 0.132531 35O 1dz2 0.005300 -0.003701 -0.010502 0.003005 -0.003983 -0.002867 35O 1dxz 0.002109 -0.002299 0.003884 0.005671 0.000286 -0.007883 35O 1dyz -0.005324 -0.005691 -0.009897 0.013141 0.006258 -0.008475 35O 1dx2y2 0.004062 -0.000722 0.001163 -0.000204 -0.000960 0.001943 35O 1dxy -0.000577 -0.007547 0.001800 0.006999 -0.000705 -0.004288 35O 2dz2 0.044375 -0.033326 -0.174732 0.010430 -0.054135 0.029861 35O 2dxz 0.084974 0.066915 0.481424 0.046728 0.049962 -0.201472 35O 2dyz -0.112828 -0.030478 -0.063763 0.186631 0.072538 -0.131494 35O 2dx2y2 0.033633 -0.078735 -0.105953 0.041578 0.087214 -0.118520 35O 2dxy 0.074066 -0.110216 0.134947 0.217476 -0.137693 -0.007223 35O 1f0 0.001863 -0.004203 0.001599 0.000987 0.000891 -0.003676 35O 1f+1 -0.001681 -0.000600 0.006462 0.001745 0.002594 -0.008624 35O 1f-1 -0.000227 -0.002740 -0.002588 0.005855 0.005583 -0.007383 35O 1f+2 -0.000374 0.002631 -0.000456 -0.004614 -0.002864 0.006055 35O 1f-2 -0.001633 0.002970 -0.002036 0.001619 -0.003617 -0.002567 35O 1f+3 -0.005163 -0.000507 0.001235 0.001163 -0.001666 -0.003476 35O 1f-3 -0.001962 -0.006506 0.006545 0.003790 0.005439 -0.003748 420 421 422 423 424 425 2.31827 2.32365 2.33835 2.34234 2.34708 2.35372 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s -0.000387 0.001721 0.000184 0.000711 0.000096 0.000246 0Rh 2s 0.003168 -0.012962 -0.000654 -0.006713 -0.000619 -0.001574 0Rh 3s -0.000350 0.002241 0.000687 0.000105 0.000189 0.000494 0Rh 4s -0.016256 0.066203 0.003280 0.034718 0.003112 0.008035 0Rh 5s 0.032392 -0.123593 -0.002848 -0.076253 -0.004693 -0.014040 0Rh 6s -0.029955 0.073591 -0.011132 0.113000 -0.003600 0.006301 0Rh 7s 0.180601 -0.208162 0.105431 -1.216812 0.057233 -0.062009 0Rh 8s -0.201927 0.608755 -0.028848 0.482771 0.142986 0.052565 0Rh 1pz 0.002280 -0.005457 -0.000099 0.005720 0.000815 -0.001549 0Rh 1px -0.003809 0.018270 -0.002543 -0.006802 0.000316 0.000001 0Rh 1py -0.002762 0.003567 0.001313 -0.001565 0.000430 -0.002492 0Rh 2pz -0.008683 0.020188 -0.000467 -0.020038 -0.002726 0.005459 0Rh 2px 0.013942 -0.066307 0.008879 0.023638 -0.001184 -0.000076 0Rh 2py 0.009397 -0.013239 -0.004061 0.005644 -0.000874 0.008844 0Rh 3pz 0.019095 -0.032621 0.017782 0.009784 -0.001476 -0.003313 0Rh 3px -0.019567 0.081122 -0.003541 -0.007486 0.002332 0.001618 0Rh 3py 0.001518 0.022361 -0.009570 -0.006035 -0.013474 -0.006754 0Rh 4pz -0.018406 -0.006182 -0.072313 0.099689 0.025771 -0.024450 0Rh 4px -0.016457 0.129239 -0.048365 -0.137086 -0.001823 -0.006795 0Rh 4py -0.073182 -0.000516 0.069212 -0.016467 0.064857 -0.033062 0Rh 5pz 0.034776 0.010461 0.145533 -0.195634 -0.052325 0.045802 0Rh 5px 0.030794 -0.247848 0.094539 0.293846 0.004947 0.018200 0Rh 5py 0.144391 0.003479 -0.138333 0.046905 -0.136625 0.058671 0Rh 6pz -0.322176 0.103933 -0.027266 0.177037 0.011582 0.012899 0Rh 6px 0.009697 -0.448878 0.051690 -0.778882 -0.020803 -0.102645 0Rh 6py -0.018994 -0.269667 0.073414 -0.225824 0.063397 0.084805 0Rh 1dz2 -0.001656 -0.010011 -0.000676 0.002310 -0.011718 -0.006151 0Rh 1dxz 0.002372 -0.018729 0.009420 0.001892 -0.008108 -0.000597 0Rh 1dyz 0.009760 0.001322 -0.007696 0.001444 0.010240 -0.005835 0Rh 1dx2y2 -0.010433 0.022397 0.003685 -0.005603 -0.004892 -0.006311 0Rh 1dxy 0.003626 0.010396 -0.007697 0.000629 -0.008461 -0.000893 0Rh 2dz2 -0.002462 0.002398 -0.000456 -0.000695 0.001340 -0.003052 0Rh 2dxz 0.000969 0.003033 0.000242 -0.002290 0.000503 -0.001150 0Rh 2dyz -0.007374 -0.001027 0.003765 0.000917 -0.001027 -0.000166 0Rh 2dx2y2 0.000478 -0.005366 0.001823 0.003706 0.000534 -0.001164 0Rh 2dxy -0.001292 -0.002294 0.000311 0.001556 -0.001771 -0.000408 0Rh 3dz2 0.015828 0.016579 0.003508 -0.003429 0.026231 0.030021 0Rh 3dxz -0.010613 0.037300 -0.026591 0.004753 0.019936 0.006612 0Rh 3dyz 0.006830 0.001221 0.003729 -0.008168 -0.023347 0.016762 0Rh 3dx2y2 0.026344 -0.036705 -0.018285 -0.000779 0.011200 0.022247 0Rh 3dxy -0.003796 -0.017895 0.019266 -0.008523 0.030920 0.004223 0Rh 4dz2 -0.042111 0.035538 -0.000658 -0.006375 0.016375 -0.038437 0Rh 4dxz 0.011773 0.049393 0.000075 -0.028935 0.007102 -0.014396 0Rh 4dyz -0.115408 -0.018848 0.063282 0.015582 -0.015482 -0.003111 0Rh 4dx2y2 0.005649 -0.086099 0.029141 0.046712 0.003915 -0.014064 0Rh 4dxy -0.023350 -0.037837 0.010518 0.020505 -0.024042 -0.005189 0Rh 5dz2 0.213577 -0.207623 -0.060582 -0.017385 -0.092581 0.058159 0Rh 5dxz -0.011501 -0.359222 0.078652 0.052891 -0.062441 0.028948 0Rh 5dyz 0.527728 0.114295 -0.369408 -0.069935 0.103328 -0.030900 0Rh 5dx2y2 -0.075630 0.556186 -0.125533 -0.096966 -0.002901 -0.001609 0Rh 5dxy 0.128260 0.253751 -0.134687 -0.035851 0.024755 0.004145 0Rh 1f0 0.058301 -0.159619 0.056270 -0.122207 -0.003196 -0.018160 0Rh 1f+1 -0.070439 0.141272 -0.004495 0.067998 0.004761 0.037219 0Rh 1f-1 0.020714 0.066732 -0.012677 -0.052352 0.062654 0.034132 0Rh 1f+2 -0.020950 0.236684 0.005758 0.158911 -0.015309 0.001118 0Rh 1f-2 -0.090386 0.049262 0.096895 0.037910 0.016479 0.053449 0Rh 1f+3 -0.066049 0.291385 -0.079796 0.147526 -0.037837 -0.004934 0Rh 1f-3 -0.035745 0.147564 -0.037011 0.120072 0.043237 0.005778 1Rh 1s 0.000234 -0.001683 -0.000220 0.000677 -0.000165 0.000239 1Rh 2s -0.001790 0.012639 0.001058 -0.006490 0.001168 -0.001516 1Rh 3s 0.000286 -0.002218 -0.000654 0.000039 -0.000261 0.000488 1Rh 4s 0.009168 -0.064540 -0.005372 0.033585 -0.005942 0.007739 1Rh 5s -0.017485 0.120120 0.007686 -0.074334 0.010483 -0.013471 1Rh 6s 0.011395 -0.069239 0.003099 0.112721 -0.003413 0.005962 1Rh 7s -0.005030 0.162746 -0.021351 -1.219178 0.021378 -0.060872 1Rh 8s 0.133053 -0.591531 -0.004361 0.464058 -0.176039 0.044823 1Rh 1pz 0.004183 -0.006010 0.000395 -0.005714 0.000893 0.001581 1Rh 1px -0.005446 0.018466 -0.002993 0.006723 -0.000071 0.000098 1Rh 1py -0.000949 0.003532 0.001219 0.001745 -0.000103 0.002501 1Rh 2pz -0.015291 0.022121 -0.002194 0.019958 -0.002989 -0.005541 1Rh 2px 0.019698 -0.066984 0.010439 -0.023387 0.000157 -0.000278 1Rh 2py 0.002972 -0.013103 -0.003719 -0.006190 0.001008 -0.008836 1Rh 3pz 0.021199 -0.033459 0.018564 -0.008449 -0.001585 0.002696 1Rh 3px -0.022844 0.081234 -0.003918 0.007964 0.001963 -0.001303 1Rh 3py 0.006235 0.022009 -0.010005 0.004457 -0.014709 0.005978 1Rh 4pz 0.018090 -0.016110 -0.063483 -0.104813 0.028129 0.027750 1Rh 4px -0.043497 0.133600 -0.057862 0.133199 -0.009917 0.008004 1Rh 4py -0.047914 -0.000068 0.068381 0.027135 0.056847 0.036331 1Rh 5pz -0.028915 0.028991 0.128430 0.205964 -0.057551 -0.052922 1Rh 5px 0.087484 -0.257320 0.114604 -0.285801 0.022949 -0.020622 1Rh 5py 0.096970 0.003017 -0.135108 -0.068704 -0.121442 -0.065385 1Rh 6pz -0.419533 0.100011 -0.013061 -0.189498 0.033280 -0.003910 1Rh 6px -0.122516 -0.418484 -0.000048 0.768647 -0.076594 0.102049 1Rh 6py -0.076197 -0.272551 0.053010 0.238766 0.070567 -0.077837 1Rh 1dz2 0.001542 0.010407 0.000347 0.003222 0.011786 -0.005740 1Rh 1dxz -0.000989 0.018135 -0.009424 0.001711 0.007924 0.000081 1Rh 1dyz -0.010010 -0.001278 0.007183 0.002001 -0.009486 -0.005666 1Rh 1dx2y2 0.009521 -0.022647 -0.003488 -0.005985 0.005887 -0.006222 1Rh 1dxy -0.000851 -0.010495 0.007714 0.001811 0.008220 -0.000263 1Rh 2dz2 0.002838 -0.002499 0.000385 -0.000821 -0.000994 -0.003139 1Rh 2dxz -0.000388 -0.003132 -0.000113 -0.002391 -0.000309 -0.001156 1Rh 2dyz 0.006715 0.000980 -0.003890 0.000510 0.001154 -0.000175 1Rh 2dx2y2 -0.000471 0.005440 -0.002097 0.003579 -0.000697 -0.001148 1Rh 2dxy 0.001100 0.002312 -0.000447 0.001614 0.001730 -0.000315 1Rh 3dz2 -0.017089 -0.017211 -0.002294 -0.005321 -0.027918 0.029293 1Rh 3dxz 0.004348 -0.035257 0.026048 0.005686 -0.020278 0.004791 1Rh 3dyz -0.003223 -0.001126 -0.001764 -0.007802 0.020717 0.016369 1Rh 3dx2y2 -0.023902 0.037058 0.018934 0.000821 -0.013210 0.021925 1Rh 3dxy -0.002882 0.018087 -0.018713 -0.011970 -0.030091 0.002101 1Rh 4dz2 0.046070 -0.036876 -0.000468 -0.008840 -0.011930 -0.039863 1Rh 4dxz -0.004535 -0.050597 0.001536 -0.030239 -0.004638 -0.014594 1Rh 4dyz 0.105993 0.018098 -0.065277 0.008400 0.017361 -0.003782 1Rh 4dx2y2 -0.005410 0.087026 -0.032552 0.044978 -0.005984 -0.013737 1Rh 4dxy 0.020390 0.038031 -0.012371 0.020629 0.023627 -0.004130 1Rh 5dz2 -0.214491 0.212046 0.065338 0.003205 0.082674 0.067945 1Rh 5dxz 0.004153 0.357965 -0.080691 0.055573 0.057424 0.034466 1Rh 5dyz -0.496024 -0.111780 0.375272 -0.025876 -0.105503 -0.019967 1Rh 5dx2y2 0.061432 -0.557513 0.131434 -0.092913 0.010101 -0.002804 1Rh 5dxy -0.107717 -0.253845 0.139311 -0.022943 -0.026873 0.007037 1Rh 1f0 0.055222 -0.160537 0.046226 0.122803 -0.008717 0.018127 1Rh 1f+1 -0.057523 0.141104 -0.001765 -0.065758 0.013543 -0.032438 1Rh 1f-1 -0.027618 0.069505 -0.020230 0.052409 0.066813 -0.031242 1Rh 1f+2 0.031859 0.223228 0.015504 -0.157894 -0.004175 -0.003374 1Rh 1f-2 -0.098418 0.047650 0.096576 -0.024335 0.027091 -0.049326 1Rh 1f+3 -0.061067 0.290405 -0.069724 -0.154608 -0.029576 0.004905 1Rh 1f-3 -0.037548 0.144602 -0.028434 -0.118947 0.051571 -0.004062 2C 1s 0.000950 0.001091 -0.001272 -0.003814 0.001785 -0.002808 2C 2s -0.003417 0.004588 -0.003718 -0.014968 0.008519 -0.007159 2C 3s -0.010042 -0.013062 -0.006347 0.005408 -0.012976 0.067254 2C 4s 0.219671 -0.104789 0.247842 0.658791 -0.370999 -0.033131 2C 5s 0.612043 -0.576079 -0.243930 0.527509 -0.428073 0.057328 2C 1pz -0.049385 -0.033999 -0.057823 -0.075016 0.075321 -0.012248 2C 1px -0.120413 0.049246 -0.004992 -0.066416 0.087809 -0.020259 2C 1py 0.021502 0.069222 0.110215 0.074354 -0.111487 0.115936 2C 2pz 0.109501 -0.015412 0.270667 0.659413 -0.429127 -0.165822 2C 2px 0.007377 0.067457 -0.064424 0.172473 -0.072107 -0.175852 2C 2py -0.105748 -0.218562 -0.041119 0.124795 0.120926 0.440107 2C 3pz 0.162584 -0.138339 -0.061229 0.079709 -0.067573 -0.082186 2C 3px -0.090996 0.108292 -0.098732 -0.208034 0.168293 -0.057334 2C 3py 0.097065 -0.060441 0.074044 0.115892 -0.153284 0.213720 2C 1dz2 0.034605 0.017612 0.024463 0.028898 -0.054167 -0.061969 2C 1dxz 0.050895 0.015918 0.007007 0.067137 -0.051657 -0.056616 2C 1dyz 0.004573 -0.003732 0.001177 -0.015300 0.009077 0.024974 2C 1dx2y2 -0.014739 0.035551 0.037814 0.039570 -0.048606 -0.031231 2C 1dxy -0.001608 -0.032755 -0.055736 -0.020222 0.054104 -0.022094 2C 2dz2 0.018863 -0.136472 -0.146658 0.004114 0.176216 -0.199372 2C 2dxz -0.108254 -0.030134 0.089338 -0.078372 -0.001800 0.439947 2C 2dyz -0.036740 0.041667 0.140304 0.262216 -0.158531 0.158632 2C 2dx2y2 -0.149792 0.033226 -0.172670 -0.178026 0.314965 -0.091057 2C 2dxy -0.137347 0.061365 -0.047012 -0.009026 0.020704 -0.498460 2C 1f0 -0.002665 0.068328 0.072188 0.055224 -0.077290 0.013308 2C 1f+1 -0.044978 -0.006743 -0.065177 -0.058964 0.087734 -0.086337 2C 1f-1 0.040060 -0.034162 -0.009050 0.030337 -0.013405 -0.017777 2C 1f+2 0.013848 -0.015622 -0.011980 0.011568 -0.011597 -0.045144 2C 1f-2 0.083359 -0.005725 0.027551 0.083223 -0.081644 0.016456 2C 1f+3 -0.032438 0.040564 0.064231 0.037052 -0.055096 0.078086 2C 1f-3 -0.080231 0.025688 -0.013667 -0.062348 0.066688 0.001317 3C 1s 0.001535 0.000945 -0.001952 -0.005017 -0.001863 0.003066 3C 2s 0.005853 0.005617 -0.012884 -0.018772 -0.008912 0.007409 3C 3s -0.082690 -0.019272 0.014984 0.055819 0.059086 -0.102618 3C 4s 0.210011 -0.124199 0.535146 0.579470 0.101358 0.258389 3C 5s -0.615759 -0.425532 1.203638 0.707847 0.431967 -0.149692 3C 1pz 0.018479 0.006409 0.131685 0.123506 0.112122 -0.083189 3C 1px 0.032297 0.113441 -0.054276 -0.009917 0.008740 -0.048122 3C 1py 0.059111 0.025970 0.116467 0.073913 0.062475 0.013948 3C 2pz -0.135611 -0.126852 0.074031 0.245098 0.039960 -0.397751 3C 2px 0.047954 -0.150051 0.102965 0.153145 0.002159 -0.051546 3C 2py -0.117361 -0.026054 -0.383388 -0.548362 -0.110758 -0.353596 3C 3pz -0.078053 -0.105650 0.373588 0.305996 0.225676 -0.167381 3C 3px -0.018054 0.080696 -0.036303 -0.026693 0.022608 -0.111924 3C 3py 0.093451 0.085360 -0.167093 -0.027542 0.004204 -0.065403 3C 1dz2 0.007295 0.014642 -0.027106 -0.002143 0.007062 -0.070699 3C 1dxz -0.040051 -0.072211 0.011369 -0.020820 -0.029611 -0.018532 3C 1dyz 0.003407 -0.000279 0.028507 0.023515 0.009180 0.035430 3C 1dx2y2 -0.037070 -0.024635 -0.046125 -0.023753 -0.035383 -0.064748 3C 1dxy -0.003725 0.011143 -0.052078 -0.016954 -0.012866 -0.030747 3C 2dz2 0.004010 -0.013338 0.322920 0.228905 0.309811 -0.423574 3C 2dxz 0.091606 0.069856 0.059922 0.150924 0.165982 0.067585 3C 2dyz -0.008983 0.012648 -0.120380 -0.121802 0.014247 -0.244476 3C 2dx2y2 0.139798 0.154901 -0.123312 -0.144328 0.002482 0.254469 3C 2dxy -0.107472 -0.103422 -0.010061 -0.171707 -0.150938 0.337074 3C 1f0 -0.030480 -0.031845 -0.081847 -0.090011 -0.084666 0.050708 3C 1f+1 0.029542 0.048378 -0.065924 -0.037897 -0.016235 -0.020899 3C 1f-1 0.036214 0.015150 0.086546 0.057138 0.058738 0.040007 3C 1f+2 0.018100 0.039612 -0.084335 -0.056398 -0.035800 -0.016670 3C 1f-2 -0.016897 -0.008943 -0.020491 -0.018874 -0.019678 0.023645 3C 1f+3 -0.044402 -0.068919 -0.043964 -0.055563 -0.084571 0.065778 3C 1f-3 -0.041186 -0.080344 0.096642 0.046966 0.028078 -0.022551 4C 1s -0.001683 0.000952 -0.003522 -0.008197 0.005554 0.000296 4C 2s -0.008522 0.003963 -0.011476 -0.029268 0.020161 0.003283 4C 3s 0.159272 0.000353 0.068195 0.304640 -0.144662 -0.064316 4C 4s -0.543968 -0.200548 -0.002935 -0.439647 0.065672 -0.004863 4C 5s -0.818865 0.020629 0.204245 -0.286838 -0.008319 -0.127691 4C 1pz 0.057740 0.004403 0.012159 0.059284 -0.046005 -0.045487 4C 1px 0.085201 -0.029660 -0.008716 0.049824 -0.037444 0.001993 4C 1py 0.048023 -0.032633 -0.030188 0.019898 -0.006117 -0.027773 4C 2pz -0.096949 -0.090268 0.240955 0.354656 -0.207176 0.197028 4C 2px -0.256952 -0.102361 -0.103027 -0.063821 -0.058539 -0.010917 4C 2py -0.153488 -0.079551 0.126684 0.208684 -0.105642 -0.008972 4C 3pz 0.129172 -0.179706 -0.120241 -0.127339 -0.196883 0.032599 4C 3px -0.113986 -0.309090 0.142645 0.038292 -0.153855 0.065182 4C 3py -0.026749 -0.330131 -0.171176 -0.258423 0.046256 -0.035670 4C 1dz2 0.018183 0.002041 0.036575 0.027364 -0.039667 0.079283 4C 1dxz 0.058652 -0.017782 0.029849 0.033909 -0.031057 0.029513 4C 1dyz 0.036737 0.002511 -0.020294 0.009968 0.003725 -0.064021 4C 1dx2y2 -0.021148 0.014500 0.025435 -0.021461 0.018180 0.080140 4C 1dxy 0.004681 -0.026893 -0.002839 -0.016293 -0.001511 0.000512 4C 2dz2 0.077715 0.084695 -0.162391 -0.329837 0.300244 -0.261258 4C 2dxz -0.151747 0.141846 -0.130552 -0.301744 0.082771 -0.202180 4C 2dyz -0.119400 0.070119 -0.055312 -0.427417 0.150288 0.026931 4C 2dx2y2 -0.006415 -0.033846 0.192770 0.396205 -0.372749 -0.048073 4C 2dxy -0.125484 -0.075940 -0.123408 -0.182604 0.140672 0.172047 4C 1f0 0.019510 0.013754 0.010045 0.022109 -0.020935 -0.073340 4C 1f+1 -0.023953 0.020158 0.005376 0.012816 0.000569 -0.046105 4C 1f-1 0.016939 -0.005366 0.005318 0.021093 -0.012780 -0.009370 4C 1f+2 0.024939 0.010782 0.014749 0.042144 -0.043497 -0.081106 4C 1f-2 -0.004968 0.022324 -0.015207 0.014203 0.006926 -0.027133 4C 1f+3 0.004022 -0.005494 -0.002032 0.003016 0.021904 0.022582 4C 1f-3 -0.012348 -0.009368 -0.014814 -0.018817 0.033166 0.012451 5C 1s 0.004218 0.002985 -0.008470 -0.006746 -0.003478 -0.000743 5C 2s 0.013260 0.011135 -0.031939 -0.023235 -0.012134 -0.005501 5C 3s -0.027775 -0.115791 0.288158 0.233373 0.016237 0.133402 5C 4s -0.421843 0.208946 -0.328544 -0.427577 0.328780 -0.271762 5C 5s 0.012199 0.351150 -0.375423 -0.567372 -0.193253 0.099900 5C 1pz -0.027943 -0.017196 0.031185 0.000587 0.003167 0.010570 5C 1px -0.070978 -0.065668 0.069660 0.009964 0.006873 0.047844 5C 1py 0.021446 0.021984 -0.105507 -0.047094 -0.045817 -0.035940 5C 2pz -0.116370 0.080415 0.020785 0.157299 0.044739 0.064502 5C 2px 0.506582 -0.204144 0.119359 0.211919 0.065533 -0.098476 5C 2py 0.048603 -0.040516 -0.118228 -0.308866 -0.132847 0.087226 5C 3pz -0.286012 -0.011485 0.163314 -0.196235 -0.067535 -0.044776 5C 3px 0.220261 -0.193638 0.060938 -0.118976 -0.070979 -0.001325 5C 3py 0.169886 -0.041105 -0.514569 0.013924 -0.105625 0.128978 5C 1dz2 0.000592 0.002091 -0.004709 -0.018492 -0.037384 0.082050 5C 1dxz -0.009205 -0.036957 0.016171 0.000639 0.008627 0.056979 5C 1dyz -0.019669 0.003187 0.001399 0.021604 0.020462 -0.063807 5C 1dx2y2 -0.006613 0.004896 -0.077160 -0.050166 -0.049891 0.033391 5C 1dxy 0.019359 0.020156 -0.049828 -0.025189 -0.003061 -0.012154 5C 2dz2 0.011668 0.053199 -0.032191 -0.012317 0.046429 -0.008220 5C 2dxz 0.066429 -0.089125 -0.230996 -0.328757 -0.224340 -0.148086 5C 2dyz 0.108246 -0.070189 0.220831 0.352640 0.063251 0.162189 5C 2dx2y2 -0.030714 -0.132430 0.391072 0.570556 0.340598 -0.267122 5C 2dxy -0.395852 -0.134267 0.321395 0.276932 -0.009300 -0.026802 5C 1f0 0.017708 0.014688 -0.025616 -0.017323 -0.000430 0.003435 5C 1f+1 -0.009744 -0.007130 -0.021194 -0.023967 -0.028807 -0.021866 5C 1f-1 0.018896 0.019965 0.020244 0.002168 -0.010770 0.109904 5C 1f+2 -0.007167 0.004904 -0.006904 -0.009478 -0.005058 -0.010236 5C 1f-2 0.000016 -0.008075 0.025089 0.009755 0.018568 0.040086 5C 1f+3 0.008202 0.014876 -0.017262 -0.003178 -0.009477 0.032198 5C 1f-3 -0.011098 -0.010703 0.015321 0.006030 0.015646 -0.036515 6C 1s -0.003207 -0.003133 0.008668 -0.005739 0.004094 -0.000774 6C 2s -0.009703 -0.011690 0.032568 -0.019523 0.014485 -0.005511 6C 3s -0.013016 0.125661 -0.294965 0.204167 -0.039333 0.132585 6C 4s 0.492634 -0.232832 0.347154 -0.406193 -0.309074 -0.273758 6C 5s 0.008472 -0.393653 0.438160 -0.511761 0.196238 0.136954 6C 1pz -0.033705 -0.018022 0.031482 0.003073 0.002773 -0.008904 6C 1px -0.052653 -0.073751 0.066362 -0.004167 0.016200 -0.047014 6C 1py 0.016153 0.023362 -0.108259 0.035018 -0.050995 0.032166 6C 2pz -0.061999 0.076807 0.021326 -0.157605 0.066007 -0.077640 6C 2px 0.424116 -0.186745 0.144662 -0.187070 0.061174 0.112985 6C 2py 0.009177 -0.040250 -0.128663 0.295678 -0.158658 -0.076422 6C 3pz -0.342396 -0.026198 0.152432 0.201869 -0.091360 0.056083 6C 3px 0.219769 -0.204910 0.051015 0.107468 -0.078593 0.000346 6C 3py 0.250871 -0.028817 -0.520395 -0.054401 -0.082887 -0.147865 6C 1dz2 -0.015007 -0.000495 0.007697 -0.016313 0.033697 0.083997 6C 1dxz 0.004238 0.038347 -0.014390 -0.001426 -0.012897 0.057326 6C 1dyz 0.027108 -0.004490 -0.004366 0.020460 -0.018255 -0.063517 6C 1dx2y2 0.004880 -0.004597 0.080459 -0.040034 0.052006 0.036748 6C 1dxy -0.018048 -0.019908 0.051386 -0.021439 0.006064 -0.012374 6C 2dz2 -0.029186 -0.049849 0.031925 -0.009347 -0.047152 -0.011114 6C 2dxz 0.024326 0.083948 0.248683 -0.301422 0.259347 -0.157849 6C 2dyz -0.152454 0.077570 -0.240859 0.325446 -0.090874 0.159338 6C 2dx2y2 0.021050 0.137519 -0.426776 0.511542 -0.363255 -0.278085 6C 2dxy 0.348135 0.150973 -0.329185 0.250989 -0.017608 -0.016751 6C 1f0 0.018571 0.015295 -0.026525 0.014959 -0.001714 -0.003697 6C 1f+1 -0.014453 -0.007766 -0.022971 0.020378 -0.031293 0.021397 6C 1f-1 0.034548 0.019846 0.018422 -0.001175 -0.003610 -0.110589 6C 1f+2 -0.013229 0.004892 -0.007650 0.008714 -0.005534 0.010352 6C 1f-2 0.009993 -0.007078 0.025231 -0.006951 0.021857 -0.041089 6C 1f+3 0.013277 0.013192 -0.017806 0.000915 -0.007534 -0.032693 6C 1f-3 -0.013477 -0.012327 0.015183 -0.002857 0.015221 0.037450 7C 1s 0.002547 -0.001254 0.004272 -0.008210 -0.005244 -0.000055 7C 2s 0.011546 -0.005033 0.014199 -0.029416 -0.019220 0.001927 7C 3s -0.177181 0.005043 -0.096949 0.303817 0.131858 -0.053305 7C 4s 0.482054 0.216958 0.041132 -0.417738 -0.013739 -0.005310 7C 5s 0.943997 -0.023109 -0.219733 -0.305194 0.060728 -0.136714 7C 1pz 0.055476 0.004887 0.017852 -0.062613 -0.047885 0.039937 7C 1px 0.118925 -0.034182 -0.002901 -0.053075 -0.035351 -0.003605 7C 1py 0.076549 -0.036483 -0.029187 -0.023801 -0.007089 0.025615 7C 2pz -0.055581 -0.108158 0.268452 -0.334122 -0.176470 -0.192732 7C 2px -0.354545 -0.101252 -0.112159 0.042713 -0.056134 -0.011854 7C 2py -0.181064 -0.088673 0.143161 -0.204502 -0.092248 0.008681 7C 3pz 0.189098 -0.159543 -0.138277 0.090876 -0.195276 -0.035244 7C 3px -0.146372 -0.304765 0.149305 -0.037959 -0.142704 -0.070423 7C 3py 0.045581 -0.326976 -0.201848 0.236870 0.041482 0.042893 7C 1dz2 -0.026325 -0.000873 -0.037809 0.025188 0.033742 0.083420 7C 1dxz -0.063735 0.018727 -0.032359 0.032645 0.028685 0.031906 7C 1dyz -0.029965 -0.002589 0.018368 0.012041 -0.000443 -0.063405 7C 1dx2y2 0.021914 -0.016376 -0.022979 -0.025098 -0.021557 0.079276 7C 1dxy -0.009802 0.027092 0.004792 -0.016465 0.001748 -0.000332 7C 2dz2 -0.063834 -0.098627 0.179122 -0.325853 -0.258037 -0.283143 7C 2dxz 0.288608 -0.165649 0.147037 -0.289220 -0.056838 -0.205237 7C 2dyz 0.175618 -0.088953 0.085340 -0.428934 -0.121678 0.014963 7C 2dx2y2 0.049069 0.040666 -0.225471 0.403946 0.353706 -0.040000 7C 2dxy 0.078287 0.085396 0.150153 -0.181354 -0.151988 0.173515 7C 1f0 -0.011163 0.017773 0.014209 -0.023014 -0.023945 0.073364 7C 1f+1 -0.029625 0.021996 0.008962 -0.012991 -0.003172 0.046978 7C 1f-1 0.014372 -0.004162 0.007352 -0.021918 -0.012703 0.010638 7C 1f+2 0.010115 0.011879 0.021271 -0.044073 -0.048278 0.079747 7C 1f-2 0.000556 0.021179 -0.012966 -0.015661 0.005247 0.027363 7C 1f+3 0.022015 -0.007750 -0.002370 -0.001996 0.022900 -0.022313 7C 1f-3 -0.004836 -0.009924 -0.017140 0.019511 0.033302 -0.011407 8C 1s -0.001197 -0.001052 0.002337 -0.004684 0.002005 0.003021 8C 2s -0.004459 -0.006101 0.014259 -0.016946 0.009738 0.007529 8C 3s 0.083440 0.020924 -0.022744 0.049248 -0.056450 -0.103675 8C 4s -0.287800 0.133965 -0.553456 0.529040 -0.157047 0.260419 8C 5s 0.643940 0.492632 -1.270244 0.580935 -0.451352 -0.202343 8C 1pz 0.025052 0.010171 0.140987 -0.105693 0.116545 0.086528 8C 1px 0.029990 0.118008 -0.053488 0.005619 0.001989 0.047205 8C 1py 0.065641 0.027994 0.120637 -0.060995 0.068402 -0.009844 8C 2pz -0.170651 -0.136583 0.088709 -0.234014 0.031486 0.396637 8C 2px 0.045050 -0.165846 0.106921 -0.135564 0.013064 0.061085 8C 2py -0.222841 -0.019468 -0.409673 0.512752 -0.168091 0.360162 8C 3pz -0.080888 -0.114121 0.395063 -0.260004 0.235254 0.179097 8C 3px -0.052832 0.082774 -0.035918 0.028883 0.004638 0.118576 8C 3py 0.092015 0.099748 -0.173066 0.017299 0.002949 0.059469 8C 1dz2 0.003210 -0.015500 0.025031 0.000029 -0.001666 -0.070626 8C 1dxz 0.049527 0.075557 -0.008535 -0.022073 0.031380 -0.019327 8C 1dyz -0.012349 0.000999 -0.029572 0.020343 -0.013727 0.035178 8C 1dx2y2 0.049712 0.026713 0.047051 -0.018673 0.040505 -0.063592 8C 1dxy 0.008247 -0.012456 0.052918 -0.011576 0.017932 -0.029039 8C 2dz2 0.023534 0.006113 -0.343397 0.184626 -0.308738 -0.442286 8C 2dxz -0.128471 -0.077020 -0.067506 0.138752 -0.174643 0.079086 8C 2dyz 0.057344 -0.019337 0.123716 -0.113117 0.013660 -0.241053 8C 2dx2y2 -0.165081 -0.161504 0.132577 -0.130880 -0.007172 0.245672 8C 2dxy 0.081058 0.107844 0.026563 -0.162678 0.138750 0.349545 8C 1f0 -0.036428 -0.033811 -0.088587 0.078716 -0.089001 -0.053169 8C 1f+1 0.025252 0.050010 -0.067346 0.030705 -0.020947 0.021863 8C 1f-1 0.050407 0.015561 0.090145 -0.046726 0.065933 -0.036541 8C 1f+2 0.013843 0.041549 -0.086175 0.046233 -0.040020 0.015492 8C 1f-2 -0.015162 -0.008108 -0.024503 0.016719 -0.020528 -0.026241 8C 1f+3 -0.044762 -0.070899 -0.051136 0.048606 -0.084881 -0.069157 8C 1f-3 -0.044689 -0.082751 0.098204 -0.035491 0.030700 0.023896 9C 1s -0.000210 -0.001298 0.001425 -0.003815 -0.001366 -0.002867 9C 2s 0.006345 -0.005408 0.004365 -0.015190 -0.007143 -0.007652 9C 3s -0.010647 0.016651 0.011256 0.009348 0.008584 0.069514 9C 4s -0.211811 0.121202 -0.306590 0.641910 0.327390 -0.022070 9C 5s -0.914094 0.593037 0.246214 0.606464 0.379835 0.095195 9C 1pz -0.023544 -0.037977 -0.067108 0.073195 0.073167 0.018035 9C 1px -0.134858 0.051776 -0.011866 0.070921 0.083903 0.026657 9C 1py -0.015823 0.075048 0.118205 -0.068669 -0.102725 -0.121988 9C 2pz 0.021961 -0.015048 0.333316 -0.656340 -0.403289 0.156602 9C 2px 0.035943 0.062730 -0.040358 -0.185122 -0.078813 0.168969 9C 2py 0.082202 -0.251503 -0.053007 -0.112576 0.169738 -0.439954 9C 3pz 0.203975 -0.140682 -0.061068 -0.098407 -0.062882 0.080320 9C 3px -0.110554 0.119586 -0.116357 0.209387 0.155664 0.070807 9C 3py 0.151739 -0.061209 0.072480 -0.113024 -0.128266 -0.224666 9C 1dz2 -0.000095 -0.021767 -0.029242 0.029105 0.056513 -0.060034 9C 1dxz -0.050326 -0.015610 -0.016894 0.071510 0.056217 -0.052145 9C 1dyz -0.009728 0.004244 0.000700 -0.015388 -0.009167 0.024563 9C 1dx2y2 0.043976 -0.040030 -0.045147 0.040401 0.051513 -0.029646 9C 1dxy -0.033755 0.037224 0.058026 -0.017473 -0.051695 -0.023281 9C 2dz2 -0.100654 0.150297 0.154935 0.009386 -0.173461 -0.224123 9C 2dxz 0.099100 0.034905 -0.064870 -0.098132 -0.036478 0.434689 9C 2dyz 0.026463 -0.036909 -0.167004 0.255625 0.140399 0.183722 9C 2dx2y2 0.070133 -0.024171 0.186626 -0.177124 -0.299690 -0.081881 9C 2dxy 0.249356 -0.075301 0.041900 -0.001982 0.000159 -0.513172 9C 1f0 -0.045119 0.074494 0.080741 -0.052853 -0.076938 -0.018733 9C 1f+1 -0.036466 -0.006370 -0.068973 0.056428 0.080625 0.090647 9C 1f-1 0.049379 -0.036760 -0.008495 -0.030478 -0.010530 0.019378 9C 1f+2 0.007379 -0.014945 -0.010207 -0.011693 -0.012207 0.045676 9C 1f-2 0.083277 -0.007372 0.034759 -0.085379 -0.077964 -0.022419 9C 1f+3 -0.049869 0.042980 0.070809 -0.035950 -0.053825 -0.082770 9C 1f-3 -0.085625 0.029030 -0.017300 0.064780 0.063612 0.000519 10H 1s -0.146201 0.105341 0.038532 -0.068454 0.057655 0.024985 10H 2s 0.137145 -0.219373 0.088510 0.038387 -0.179426 0.230317 10H 3s -0.068182 0.086842 0.094878 -0.000064 -0.015204 0.000963 10H 1pz 0.030760 -0.107599 -0.106633 -0.086115 0.094672 -0.153757 10H 1px -0.040201 0.026642 -0.061848 -0.013097 0.078362 -0.132679 10H 1py 0.119820 0.064200 0.214469 0.157430 -0.265929 0.350808 11H 1s 0.264777 0.061130 0.212801 0.314268 -0.378604 0.118914 11H 2s -0.468976 0.093702 -0.312656 -0.327846 0.447506 -0.809944 11H 3s 0.098482 0.143126 0.122220 -0.016341 -0.102974 0.062121 11H 1pz -0.078932 -0.037406 -0.156268 -0.131477 0.178312 -0.344917 11H 1px -0.134801 0.134071 0.050046 0.022662 -0.002240 -0.064975 11H 1py -0.057376 0.026821 0.029403 -0.034365 0.050241 0.083240 12H 1s 0.094770 -0.210855 -0.257527 -0.131099 0.227623 -0.163983 12H 2s -0.346322 0.246798 0.258232 -0.004819 -0.008604 0.759806 12H 3s -0.023843 -0.077177 -0.142689 -0.247362 0.208776 -0.080803 12H 1pz -0.050013 0.022737 0.071291 0.003224 -0.077354 0.108296 12H 1px -0.215823 0.033703 -0.091519 -0.123606 0.232435 -0.108597 12H 1py -0.010614 0.053254 0.107309 0.032052 -0.081550 0.366546 13H 1s 0.102763 0.180504 -0.165243 -0.069555 -0.018972 -0.016009 13H 2s -0.170981 -0.170665 0.142622 0.187329 0.130638 -0.257378 13H 3s 0.114377 0.125831 -0.083423 -0.042238 -0.012136 0.035296 13H 1pz 0.027824 0.033273 0.231791 0.213203 0.241457 -0.294099 13H 1px 0.043443 0.053826 0.124452 0.064797 0.092654 -0.082413 13H 1py 0.117607 0.099966 0.071272 0.097950 0.121643 -0.112328 14H 1s -0.198877 -0.287136 -0.019770 -0.105337 -0.177162 0.092392 14H 2s 0.195641 0.329414 -0.073005 0.117302 0.192124 -0.661593 14H 3s -0.053440 -0.142997 -0.143393 -0.175978 -0.139624 0.029340 14H 1pz 0.043496 0.007685 0.223774 0.196286 0.243904 -0.327819 14H 1px 0.007571 0.073137 -0.145809 -0.078371 -0.073636 -0.094211 14H 1py -0.049448 -0.052899 0.057141 0.026332 -0.041816 0.054041 15H 1s 0.074295 0.013069 0.404342 0.307292 0.296274 -0.040578 15H 2s 0.036311 0.134753 -0.747113 -0.580514 -0.587287 0.688021 15H 3s 0.168676 0.108522 0.016633 -0.046382 0.060688 -0.024757 15H 1pz -0.023761 -0.043162 -0.002050 -0.004266 -0.022091 -0.079210 15H 1px 0.073535 0.160751 -0.080456 -0.027387 -0.008981 -0.015769 15H 1py 0.026973 0.009248 0.231137 0.200926 0.217139 -0.287002 16H 1s -0.271209 -0.054367 0.018382 0.045013 -0.029709 -0.031216 16H 2s 0.922859 0.122078 -0.051637 -0.159106 0.046699 0.102351 16H 3s -0.384452 -0.109829 0.061179 0.117572 -0.075486 -0.028397 16H 1pz 0.392605 -0.017681 -0.016254 0.007839 -0.017674 0.051512 16H 1px -0.120925 -0.049038 0.013866 0.070665 -0.057014 -0.002759 16H 1py 0.199260 0.075105 -0.037961 -0.090345 0.036296 0.013863 17H 1s 0.272703 -0.059727 -0.010294 -0.021111 -0.026023 0.048216 17H 2s -0.930003 0.147527 0.044691 0.053061 0.039589 -0.163986 17H 3s 0.397333 -0.091747 -0.047683 0.036620 -0.061471 0.069251 17H 1pz 0.256772 0.071657 -0.069302 -0.101981 0.056265 0.010341 17H 1px 0.293372 -0.039116 0.005854 -0.027557 -0.035643 0.059818 17H 1py -0.250140 0.071270 0.005236 -0.028007 0.026246 -0.045454 18H 1s -0.241397 0.057821 0.015096 -0.021375 0.016369 0.041384 18H 2s 0.847892 -0.144922 -0.059712 0.057358 -0.004640 -0.140616 18H 3s -0.364911 0.090686 0.049995 0.040885 0.042867 0.059926 18H 1pz 0.253166 0.070345 -0.076349 0.102876 0.055492 -0.004862 18H 1px 0.267034 -0.038982 -0.000939 0.029473 -0.024424 -0.052340 18H 1py -0.242804 0.072990 0.006128 0.029252 0.015412 0.038236 19H 1s 0.267147 0.055354 -0.023641 0.051732 0.034292 -0.020738 19H 2s -0.910261 -0.127365 0.071741 -0.179457 -0.062778 0.070343 19H 3s 0.373156 0.112019 -0.070971 0.126593 0.078025 -0.012690 19H 1pz 0.384885 -0.019072 -0.019098 -0.004355 -0.005802 -0.039505 19H 1px -0.121393 -0.049700 0.018508 -0.076193 -0.054507 -0.001251 19H 1py 0.191217 0.077178 -0.044399 0.093522 0.035642 -0.008207 20H 1s -0.104304 -0.017657 -0.426032 0.256996 -0.319221 -0.054110 20H 2s -0.076872 -0.128899 0.792911 -0.480991 0.591912 0.717502 20H 3s -0.170307 -0.123278 -0.015350 -0.047573 -0.057984 -0.026847 20H 1pz -0.039792 -0.042483 -0.001877 0.003713 -0.028854 0.077148 20H 1px 0.073749 0.165888 -0.080145 0.018836 -0.014853 0.016251 20H 1py 0.011779 0.014057 0.247401 -0.168769 0.216470 0.299267 21H 1s 0.217471 0.300224 0.031483 -0.097720 0.177671 0.097515 21H 2s -0.141296 -0.341652 0.056716 0.110161 -0.161198 -0.677326 21H 3s 0.078245 0.142735 0.160980 -0.159877 0.152018 0.035496 21H 1pz 0.025345 0.013655 0.239976 -0.162475 0.240512 0.341026 21H 1px -0.010981 0.071765 -0.151522 0.064901 -0.088162 0.093431 21H 1py -0.046409 -0.055036 0.056522 -0.021787 -0.037459 -0.058509 22H 1s -0.100310 -0.183067 0.166154 -0.052634 0.030312 -0.016086 22H 2s 0.182841 0.161581 -0.156698 0.171042 -0.131073 -0.244749 22H 3s -0.127560 -0.129712 0.087235 -0.031588 0.012719 0.039826 22H 1pz 0.017160 0.043144 0.252212 -0.182621 0.241897 0.302912 22H 1px 0.040615 0.055265 0.128504 -0.047571 0.093264 0.088073 22H 1py 0.117266 0.104641 0.080375 -0.085381 0.121449 0.122546 23H 1s -0.225542 0.230488 0.279190 -0.118828 -0.220494 -0.176556 23H 2s 0.345682 -0.252246 -0.258028 -0.038880 -0.028605 0.778931 23H 3s -0.026878 0.081811 0.167143 -0.253526 -0.199784 -0.096254 23H 1pz -0.073883 0.027088 0.074589 -0.000865 -0.075035 -0.115828 23H 1px -0.191690 0.030962 -0.103593 0.125710 0.221609 0.121457 23H 1py 0.005631 0.052847 0.106284 -0.019723 -0.057670 -0.378065 24H 1s -0.202484 -0.067800 -0.247340 0.316175 0.366436 0.144293 24H 2s 0.520770 -0.104478 0.325645 -0.312756 -0.384398 -0.849802 24H 3s 0.009281 -0.159109 -0.134084 -0.023111 0.108474 0.065755 24H 1pz -0.073249 -0.038261 -0.166921 0.122945 0.156280 0.364249 24H 1px -0.186647 0.142481 0.059244 -0.022209 -0.012237 0.064277 24H 1py -0.061060 0.029464 0.025515 0.039334 0.054323 -0.080115 25H 1s 0.190358 -0.112207 -0.030596 -0.076427 -0.058960 0.020504 25H 2s -0.124089 0.220145 -0.084965 0.036746 0.157692 0.223148 25H 3s 0.113963 -0.088631 -0.097677 -0.011308 0.013580 -0.000358 25H 1pz 0.056861 -0.111913 -0.117929 0.080452 0.086396 0.167823 25H 1px -0.018615 0.022598 -0.063642 0.011796 0.070245 0.139284 25H 1py 0.082603 0.070656 0.229684 -0.149247 -0.244805 -0.368672 26O 1s -0.004744 -0.000918 0.002330 -0.000017 -0.000337 0.001514 26O 2s -0.014235 -0.002698 0.006713 0.001294 -0.001169 0.002759 26O 3s 0.056539 0.015024 -0.019934 -0.017568 -0.006561 0.020504 26O 4s 0.136579 -0.076197 -0.115034 0.011733 0.104137 -0.229516 26O 5s 0.138117 0.615356 0.191545 -0.025306 0.278152 0.164375 26O 1pz -0.037935 0.024376 -0.003080 -0.002068 0.040116 0.041609 26O 1px 0.002039 -0.041131 -0.042034 -0.069172 0.047540 -0.000311 26O 1py -0.015924 0.054551 0.076845 0.062602 -0.079405 0.017885 26O 2pz 0.083156 -0.042252 -0.001763 0.048312 -0.068427 -0.020561 26O 2px -0.103214 0.022821 0.064058 0.054844 -0.104643 0.076616 26O 2py -0.020174 -0.090644 -0.063417 -0.040565 0.018839 -0.031822 26O 3pz -0.381683 -0.073810 0.287911 0.260705 -0.072857 0.120933 26O 3px -0.270723 -0.243527 -0.076538 0.074299 -0.044724 -0.048709 26O 3py -0.237749 0.092241 0.222210 0.373407 -0.299121 -0.054854 26O 1dz2 -0.003833 -0.002014 0.002970 0.000175 -0.001657 0.003223 26O 1dxz -0.001281 -0.002746 -0.000502 -0.005660 0.000785 0.002910 26O 1dyz -0.000338 0.002413 0.001242 -0.001338 0.000682 0.002313 26O 1dx2y2 -0.003569 -0.001250 0.001737 0.000133 -0.000309 0.001105 26O 1dxy -0.002355 -0.002232 -0.000605 -0.005449 0.004017 0.001838 26O 2dz2 -0.113871 -0.065174 0.077477 0.016235 -0.077135 0.056579 26O 2dxz -0.066979 0.087996 -0.019500 -0.172757 0.039267 -0.032038 26O 2dyz -0.078099 0.078538 0.035527 -0.027193 0.006597 -0.039157 26O 2dx2y2 0.005102 0.053231 0.109033 0.109900 -0.119148 0.014706 26O 2dxy -0.065022 0.011794 -0.059739 -0.179759 0.196344 0.091380 26O 1f0 -0.003441 0.000961 -0.001986 0.000489 0.002454 -0.002742 26O 1f+1 0.006544 -0.001893 -0.000876 0.006778 -0.000474 0.000140 26O 1f-1 0.003006 -0.000776 -0.000249 0.002204 -0.000587 0.000238 26O 1f+2 0.003723 0.001876 0.001305 -0.003489 0.002707 0.004562 26O 1f-2 0.005554 -0.001225 0.000584 0.002997 -0.002019 -0.002864 26O 1f+3 0.004788 -0.002990 -0.002341 0.001313 -0.002296 -0.007836 26O 1f-3 0.005709 -0.001151 0.001619 0.007918 -0.002980 -0.001772 27O 1s 0.000191 0.000947 -0.003044 -0.000296 0.000951 -0.001563 27O 2s 0.000340 0.002580 -0.008302 -0.001752 0.002446 -0.002661 27O 3s 0.012866 -0.003970 0.035723 0.037885 0.011132 -0.025973 27O 4s -0.165691 -0.136813 0.043711 -0.249559 -0.180947 0.253292 27O 5s -0.066713 0.666136 -0.652026 0.018150 -0.123773 -0.061479 27O 1pz 0.028329 0.108733 0.000685 0.079074 0.057558 -0.004586 27O 1px 0.000983 -0.006316 -0.015600 -0.028247 -0.007641 -0.005889 27O 1py 0.053799 -0.024758 0.042460 -0.025737 0.031070 0.031621 27O 2pz -0.046886 -0.134474 0.023251 -0.059565 -0.028361 0.038238 27O 2px 0.104215 -0.016479 0.046653 0.126693 0.110007 -0.093488 27O 2py -0.041611 0.065828 -0.132727 -0.039936 -0.056789 0.014266 27O 3pz 0.194683 0.308525 -0.002668 0.215809 0.083411 0.077601 27O 3px 0.105518 -0.033958 0.148252 0.157257 0.120294 0.025694 27O 3py 0.002953 -0.131505 0.097164 -0.228297 -0.147140 0.049482 27O 1dz2 0.000968 0.000756 0.006393 -0.000325 -0.002646 0.004732 27O 1dxz -0.002457 -0.001685 0.000650 -0.003251 -0.002720 -0.001064 27O 1dyz 0.000754 -0.003811 0.000630 -0.002493 0.002072 0.000847 27O 1dx2y2 0.001565 -0.000426 0.000146 -0.001042 -0.003801 0.000838 27O 1dxy 0.000178 0.000102 0.004066 0.003428 0.000880 0.003631 27O 2dz2 -0.019635 -0.062484 0.142445 0.017779 -0.040755 0.103179 27O 2dxz -0.047080 -0.049057 -0.107942 -0.189255 -0.132303 -0.068378 27O 2dyz -0.042990 -0.058021 0.016012 -0.036891 0.025098 -0.004216 27O 2dx2y2 -0.058594 0.012071 -0.016208 0.003433 -0.111528 0.003775 27O 2dxy -0.154579 -0.179363 0.219030 0.182305 0.046086 -0.022587 27O 1f0 0.001198 0.003019 -0.002018 0.003238 -0.000501 -0.005027 27O 1f+1 -0.003182 -0.002794 0.004964 0.003819 0.000921 0.005828 27O 1f-1 -0.000337 0.000180 0.001387 0.000610 -0.002742 0.001213 27O 1f+2 -0.001083 -0.001523 -0.001412 0.000583 -0.000470 0.004876 27O 1f-2 -0.000782 0.004048 -0.003106 -0.003471 -0.001868 -0.004967 27O 1f+3 -0.004850 -0.004134 0.009468 0.004346 0.000131 0.000925 27O 1f-3 0.000338 0.000194 0.001409 0.001953 0.002097 -0.003239 28O 1s -0.002370 0.001043 -0.000157 0.000240 -0.000135 0.000620 28O 2s -0.006368 0.003022 -0.000826 -0.000356 -0.000833 0.000973 28O 3s 0.038779 -0.022437 0.014317 0.034511 -0.003288 0.012582 28O 4s -0.191990 0.114777 -0.048998 -0.277404 0.080105 -0.114005 28O 5s 0.281725 -0.105730 -0.363874 0.030267 0.261838 -0.001165 28O 1pz -0.030338 0.009500 0.023419 0.058115 -0.028240 -0.008161 28O 1px 0.035578 -0.019256 0.008549 0.069327 -0.056289 -0.003627 28O 1py -0.011006 -0.070090 -0.059518 -0.010866 0.070597 0.041165 28O 2pz 0.047610 -0.031175 0.039290 -0.009688 -0.046226 0.085059 28O 2px -0.098885 0.039812 -0.050516 -0.138404 0.085371 -0.031681 28O 2py 0.019348 0.074643 0.084552 0.018347 -0.066887 -0.010438 28O 3pz 0.123446 -0.121744 0.085621 0.556889 -0.172464 -0.103567 28O 3px 0.249671 0.046302 -0.127410 0.030812 -0.021534 0.016885 28O 3py 0.151897 -0.115340 -0.182403 0.246567 -0.068881 -0.019292 28O 1dz2 -0.005059 0.001283 -0.000247 -0.002629 0.007965 -0.001122 28O 1dxz 0.004558 -0.002663 0.000764 0.003890 -0.000350 -0.002202 28O 1dyz -0.004541 0.000106 -0.000094 0.003999 -0.000859 0.000952 28O 1dx2y2 0.001832 0.000061 -0.000249 0.000650 0.002671 0.001260 28O 1dxy 0.003551 -0.002038 -0.001626 0.003983 -0.000548 -0.000740 28O 2dz2 0.025158 -0.045164 -0.106235 -0.179434 0.233545 0.021287 28O 2dxz -0.003800 -0.008014 0.077962 0.096004 -0.028997 0.003767 28O 2dyz 0.051369 -0.002739 -0.018668 0.045231 -0.043125 -0.057007 28O 2dx2y2 0.031455 -0.020418 -0.009980 0.068195 0.012413 0.077328 28O 2dxy 0.075835 -0.027206 -0.035798 0.123266 -0.016850 0.010936 28O 1f0 -0.002939 -0.002673 -0.002944 -0.001280 0.000590 0.000267 28O 1f+1 -0.000154 0.000183 -0.001323 -0.000414 0.001546 -0.005121 28O 1f-1 0.001718 0.002018 0.001562 -0.003102 -0.002687 0.000153 28O 1f+2 -0.001443 -0.001822 -0.000403 -0.000263 0.000579 -0.002673 28O 1f-2 -0.001421 -0.001550 0.002335 -0.004908 -0.002125 0.004168 28O 1f+3 -0.001776 -0.003975 -0.002280 -0.006032 0.004243 0.006839 28O 1f-3 0.000787 0.000962 0.004191 0.005187 -0.003831 0.002820 29O 1s -0.003447 0.004552 -0.000199 0.008126 -0.002217 0.001434 29O 2s -0.010933 0.013745 -0.000538 0.025091 -0.007370 0.004675 29O 3s 0.057591 -0.059603 0.002944 -0.120733 0.048042 -0.028972 29O 4s -0.047948 0.019864 -0.004771 -0.024059 -0.080589 0.030008 29O 5s 0.008147 -0.051459 -0.010882 0.426982 0.051828 0.043434 29O 1pz -0.240291 -0.046399 0.003806 0.056418 -0.014778 -0.038224 29O 1px -0.090488 0.143925 -0.034289 -0.039248 0.031488 -0.024499 29O 1py 0.015658 -0.043183 0.008674 0.032361 -0.032021 0.008882 29O 2pz 0.938551 0.056845 -0.056793 -0.149736 0.023007 0.128581 29O 2px 0.348410 -0.170810 0.014214 0.056798 -0.045203 0.073032 29O 2py -0.091999 0.071208 0.004551 -0.018257 0.050055 -0.023285 29O 3pz -0.135399 -0.087150 0.071799 0.159713 -0.052183 0.009932 29O 3px -0.019500 0.161543 -0.015516 -0.380755 0.102280 -0.060083 29O 3py 0.030434 -0.034159 -0.009893 0.015359 -0.076280 -0.011080 29O 1dz2 0.009549 -0.002568 0.000221 -0.002612 0.000864 0.000854 29O 1dxz -0.006564 -0.002013 -0.000202 -0.002746 0.001604 -0.001790 29O 1dyz 0.013642 0.000052 -0.001258 -0.002234 -0.000602 0.001712 29O 1dx2y2 -0.002863 0.003002 -0.001040 0.005477 -0.000637 0.000588 29O 1dxy 0.004555 0.000030 0.000838 0.001009 0.000755 0.001743 29O 2dz2 -0.031912 -0.071316 0.049969 0.062919 -0.043556 0.016392 29O 2dxz -0.040535 -0.005284 -0.006848 0.005525 -0.020413 -0.001267 29O 2dyz -0.061898 0.057483 -0.028087 -0.046202 0.027443 -0.023142 29O 2dx2y2 0.007478 -0.094326 -0.000248 0.128797 -0.018804 0.010309 29O 2dxy -0.070338 -0.087456 0.048916 0.082047 -0.040787 0.019375 29O 1f0 0.006564 0.003397 -0.000460 0.001017 0.001181 0.000060 29O 1f+1 0.007216 -0.000993 -0.000612 -0.001236 -0.000491 0.001004 29O 1f-1 0.030712 0.004884 -0.002406 -0.002496 0.002202 0.003230 29O 1f+2 -0.012243 -0.000209 0.000532 0.000221 -0.000334 -0.001470 29O 1f-2 -0.046887 0.002936 0.003989 0.006381 0.000026 -0.006832 29O 1f+3 0.012651 -0.000749 -0.000461 -0.001489 -0.001403 0.001920 29O 1f-3 0.022958 -0.002074 -0.002453 -0.001357 -0.002252 0.003203 30O 1s -0.003621 0.000126 0.000009 0.000398 -0.000174 -0.000697 30O 2s -0.010826 0.000145 0.000508 0.000662 -0.000513 -0.001020 30O 3s 0.030407 -0.011184 0.013954 0.019892 0.012275 -0.012784 30O 4s 0.182924 0.182536 -0.219651 -0.213150 -0.061567 0.095382 30O 5s 0.523401 -0.712924 0.045839 0.115723 -0.278730 -0.000985 30O 1pz -0.057159 -0.074127 -0.011986 -0.020554 -0.050442 -0.045164 30O 1px -0.022014 -0.093717 0.048927 0.072901 -0.000121 0.000818 30O 1py -0.030749 -0.003930 0.005725 -0.049445 -0.017481 -0.006296 30O 2pz -0.024804 0.090812 0.059847 0.047821 0.069512 0.020856 30O 2px 0.146591 0.103298 -0.093530 -0.096292 -0.024214 0.014860 30O 2py 0.078261 -0.017945 -0.029705 0.008467 -0.050772 0.055863 30O 3pz -0.395095 -0.170290 0.239419 0.186947 0.032326 0.024214 30O 3px 0.089378 -0.367326 0.267261 0.197311 -0.010979 -0.026336 30O 3py 0.546939 0.144509 -0.438194 -0.397001 -0.171373 -0.099217 30O 1dz2 0.003529 0.002216 -0.001817 -0.000612 0.003993 -0.000673 30O 1dxz -0.000365 -0.003224 0.002640 0.002739 0.001821 -0.000125 30O 1dyz -0.000607 -0.001504 0.004110 0.000019 0.000136 0.002079 30O 1dx2y2 0.001451 -0.003173 0.004826 0.003809 0.003427 0.000699 30O 1dxy 0.002384 0.004561 -0.005252 -0.004106 -0.001792 -0.000524 30O 2dz2 0.139711 0.123176 -0.110802 -0.062262 0.080661 0.054268 30O 2dxz -0.083839 -0.006117 0.052684 -0.010559 0.001963 0.031261 30O 2dyz -0.038687 0.070389 0.009940 0.064139 0.050985 -0.042519 30O 2dx2y2 0.047378 0.002750 0.126093 0.228551 0.134680 0.037114 30O 2dxy 0.123377 -0.010642 -0.116737 -0.087167 -0.091411 -0.006376 30O 1f0 0.002150 0.001332 0.003553 0.004228 -0.001210 0.006132 30O 1f+1 0.000054 0.001396 0.001236 0.004417 0.003519 -0.003241 30O 1f-1 -0.001000 -0.002340 -0.004285 -0.001865 0.002279 -0.002129 30O 1f+2 -0.006210 -0.003056 -0.003527 -0.001621 -0.003732 -0.002424 30O 1f-2 -0.000931 -0.000127 -0.001819 -0.001019 -0.001480 0.004471 30O 1f+3 -0.001268 0.003166 -0.001004 -0.000457 -0.001490 0.003360 30O 1f-3 -0.001291 0.001611 -0.000609 -0.001473 0.001057 -0.002162 31O 1s 0.003966 -0.000120 -0.000024 0.000335 0.000101 -0.000591 31O 2s 0.012144 -0.000228 -0.000530 0.000420 0.000311 -0.000717 31O 3s -0.043701 0.013527 -0.014730 0.019179 -0.013209 -0.013595 31O 4s -0.129221 -0.197150 0.228612 -0.190577 0.080160 0.091103 31O 5s -0.517070 0.725779 -0.064688 0.106561 0.282575 -0.020848 31O 1pz -0.069645 -0.077251 -0.014829 0.018576 -0.054354 0.046147 31O 1px -0.015860 -0.097837 0.052909 -0.066838 0.005391 0.000108 31O 1py -0.046092 -0.002828 0.000913 0.049474 -0.020391 0.006615 31O 2pz 0.000580 0.093230 0.061946 -0.042066 0.076772 -0.024750 31O 2px 0.122093 0.110257 -0.096491 0.086510 -0.035461 -0.011208 31O 2py 0.075906 -0.018266 -0.025432 -0.012933 -0.049660 -0.053059 31O 3pz -0.384188 -0.181539 0.243247 -0.162550 0.058048 -0.027968 31O 3px 0.076623 -0.373625 0.283877 -0.159257 -0.004040 0.038590 31O 3py 0.489956 0.158137 -0.457893 0.348373 -0.217167 0.094514 31O 1dz2 -0.003608 -0.002331 0.001806 -0.000619 -0.003903 -0.000766 31O 1dxz 0.000072 0.003288 -0.002828 0.002379 -0.002000 -0.000152 31O 1dyz 0.001288 0.001061 -0.004168 -0.000334 -0.000052 0.002107 31O 1dx2y2 -0.003153 0.003168 -0.005076 0.003154 -0.003593 0.000513 31O 1dxy -0.002361 -0.004674 0.005446 -0.003472 0.002229 -0.000381 31O 2dz2 -0.151230 -0.128800 0.112570 -0.053446 -0.078976 0.054962 31O 2dxz 0.079462 0.004603 -0.049183 -0.014501 -0.005046 0.034071 31O 2dyz 0.044613 -0.074099 -0.014299 0.060982 -0.050740 -0.041590 31O 2dx2y2 -0.090052 0.001965 -0.140702 0.208070 -0.150185 0.033699 31O 2dxy -0.104381 0.009111 0.120073 -0.072071 0.100657 -0.005873 31O 1f0 0.002901 0.001220 0.003869 -0.003956 -0.000622 -0.006047 31O 1f+1 -0.000541 0.001534 0.001628 -0.004148 0.003623 0.003295 31O 1f-1 -0.001581 -0.002431 -0.004396 0.001671 0.002011 0.002110 31O 1f+2 -0.006456 -0.003391 -0.003660 0.001096 -0.003782 0.002239 31O 1f-2 0.000931 -0.000552 -0.002081 0.000726 -0.000938 -0.004638 31O 1f+3 -0.000643 0.003442 -0.001013 0.000166 -0.001497 -0.003676 31O 1f-3 -0.001977 0.001813 -0.000569 0.001327 0.000977 0.002021 32O 1s 0.003830 -0.004416 -0.000324 0.008284 0.001539 0.001532 32O 2s 0.012422 -0.013328 -0.001055 0.025640 0.005226 0.005012 32O 3s -0.072366 0.057647 0.004097 -0.125168 -0.036391 -0.031428 32O 4s 0.096283 -0.022553 0.009593 -0.014503 0.075680 0.034424 32O 5s -0.059571 0.069495 -0.020351 0.425605 -0.082478 0.043686 32O 1pz -0.219439 -0.047555 0.009467 -0.061269 -0.018002 0.029233 32O 1px -0.080249 0.144182 -0.034768 0.039164 0.025106 0.023151 32O 1py 0.001693 -0.041888 0.010286 -0.035301 -0.029030 -0.008090 32O 2pz 0.890980 0.060444 -0.076154 0.164132 0.043096 -0.098391 32O 2px 0.321606 -0.171704 0.012464 -0.056506 -0.026975 -0.064947 32O 2py -0.049195 0.069652 0.003565 0.026294 0.044849 0.020110 32O 3pz -0.105248 -0.090450 0.080878 -0.157758 -0.042646 -0.018553 32O 3px -0.039689 0.171324 -0.038463 0.388911 0.071677 0.062157 32O 3py 0.038535 -0.032316 -0.009086 -0.021678 -0.078190 0.009833 32O 1dz2 -0.008660 0.002535 -0.000058 -0.002781 -0.000961 0.000575 32O 1dxz 0.007110 0.001884 0.000223 -0.002641 -0.001066 -0.001699 32O 1dyz -0.013565 -0.000096 0.001571 -0.002377 0.000260 0.001318 32O 1dx2y2 0.003034 -0.002925 0.000653 0.005699 0.000266 0.000625 32O 1dxy -0.003926 0.000004 -0.000800 0.000827 -0.001171 0.001495 32O 2dz2 0.024956 0.074753 -0.052988 0.063611 0.039700 0.018139 32O 2dxz 0.040633 0.002075 0.008405 0.005926 0.018680 -0.001969 32O 2dyz 0.063805 -0.053717 0.026217 -0.038978 -0.018292 -0.021363 32O 2dx2y2 -0.030022 0.097397 -0.007626 0.131156 0.009679 0.011603 32O 2dxy 0.072436 0.089990 -0.052792 0.084048 0.034611 0.020812 32O 1f0 0.006242 0.003058 -0.000270 -0.000867 0.001116 0.000370 32O 1f+1 0.007730 -0.001195 -0.000911 0.001446 -0.000277 -0.001076 32O 1f-1 0.030197 0.005143 -0.002764 0.003089 0.002896 -0.002037 32O 1f+2 -0.012365 -0.000481 0.000609 -0.000464 -0.000783 0.001038 32O 1f-2 -0.044201 0.002748 0.004965 -0.006684 -0.001325 0.005621 32O 1f+3 0.010415 -0.000622 -0.000565 0.001360 -0.001050 -0.001348 32O 1f-3 0.022105 -0.002015 -0.002819 0.001296 -0.001538 -0.002676 33O 1s 0.001844 -0.001012 0.000119 0.000382 0.000127 0.000677 33O 2s 0.005587 -0.003065 0.000792 0.000142 0.000878 0.001237 33O 3s -0.051322 0.025588 -0.016616 0.031533 0.001209 0.010549 33O 4s 0.301146 -0.134731 0.069874 -0.278642 -0.063753 -0.112660 33O 5s -0.290329 0.104085 0.361873 0.060596 -0.271674 0.012698 33O 1pz -0.037683 0.010540 0.030558 -0.060146 -0.028419 0.007020 33O 1px 0.035916 -0.020603 0.014932 -0.072881 -0.052417 -0.000468 33O 1py 0.046528 -0.078294 -0.065309 0.010118 0.076284 -0.041075 33O 2pz 0.061418 -0.034222 0.034225 0.015670 -0.037735 -0.081659 33O 2px -0.128884 0.046446 -0.062554 0.139756 0.078346 0.034048 33O 2py -0.043904 0.082442 0.089947 -0.013946 -0.068603 0.010648 33O 3pz 0.257377 -0.146102 0.135813 -0.573453 -0.170178 0.086140 33O 3px 0.211232 0.047230 -0.127411 -0.045937 -0.009189 -0.033280 33O 3py 0.295896 -0.137837 -0.164703 -0.276960 -0.062115 0.004727 33O 1dz2 0.002539 -0.000970 0.000458 -0.002983 -0.007686 -0.001648 33O 1dxz -0.005128 0.002867 -0.001036 0.003934 0.000349 -0.002044 33O 1dyz 0.001769 0.000245 -0.000335 0.004087 0.000811 0.000949 33O 1dx2y2 -0.001408 -0.000059 0.000331 0.000530 -0.003055 0.001151 33O 1dxy -0.004450 0.002122 0.001321 0.004231 0.000391 -0.000635 33O 2dz2 -0.073212 0.047370 0.122074 -0.181549 -0.225002 0.012071 33O 2dxz -0.016632 0.012674 -0.085317 0.091429 0.028398 0.005537 33O 2dyz -0.048686 0.000186 0.009157 0.053306 0.049849 -0.055238 33O 2dx2y2 -0.057744 0.027300 0.010152 0.066730 -0.027665 0.080268 33O 2dxy -0.126906 0.036280 0.028061 0.127881 0.008411 0.015756 33O 1f0 -0.001428 -0.002932 -0.003312 0.001178 0.000767 -0.000243 33O 1f+1 -0.002172 0.000462 -0.001360 0.000309 0.001318 0.005273 33O 1f-1 -0.001704 0.002405 0.001318 0.003202 -0.002637 -0.000142 33O 1f+2 0.000560 -0.002073 -0.000303 0.000170 0.000222 0.003022 33O 1f-2 -0.002640 -0.001250 0.001839 0.005012 -0.002043 -0.004081 33O 1f+3 0.000559 -0.004273 -0.003078 0.006217 0.004523 -0.006598 33O 1f-3 -0.000209 0.001108 0.004648 -0.004968 -0.003393 -0.002978 34O 1s -0.000073 -0.001002 0.003037 -0.000020 -0.000842 -0.001390 34O 2s -0.000221 -0.002590 0.008415 -0.000965 -0.002285 -0.002153 34O 3s -0.009361 0.001308 -0.039542 0.032742 -0.009833 -0.028615 34O 4s 0.142439 0.152427 -0.018950 -0.239723 0.170639 0.255974 34O 5s 0.016615 -0.667854 0.642699 0.085981 0.142390 -0.041575 34O 1pz 0.045781 0.110529 0.008566 -0.077019 0.060978 0.003335 34O 1px -0.003735 -0.005299 -0.017237 0.025629 -0.008805 0.005750 34O 1py 0.053742 -0.023514 0.040902 0.030892 0.033495 -0.029235 34O 2pz -0.054878 -0.138764 0.015866 0.061479 -0.027838 -0.036499 34O 2px 0.082901 -0.010889 0.057940 -0.112848 0.109232 0.097306 34O 2py -0.030482 0.064273 -0.136268 0.024571 -0.062056 -0.017932 34O 3pz 0.263506 0.312651 0.011692 -0.218658 0.102575 -0.091116 34O 3px 0.104558 -0.035281 0.157476 -0.139775 0.140654 -0.018052 34O 3py -0.030543 -0.122626 0.088456 0.232510 -0.164530 -0.045173 34O 1dz2 -0.001283 -0.000718 -0.006143 -0.000720 0.002110 0.004864 34O 1dxz 0.002202 0.001575 -0.000432 -0.003189 0.003066 -0.000942 34O 1dyz -0.000966 0.004082 -0.000420 -0.002738 -0.002116 0.000573 34O 1dx2y2 -0.000785 0.000369 -0.000115 -0.000825 0.003845 0.000994 34O 1dxy -0.000816 0.000379 -0.004032 0.002956 -0.001609 0.003520 34O 2dz2 0.007911 0.063076 -0.140018 0.007567 0.029030 0.105715 34O 2dxz 0.085889 0.048339 0.121612 -0.174499 0.148041 -0.069134 34O 2dyz 0.038382 0.059832 -0.014597 -0.040771 -0.023225 -0.007762 34O 2dx2y2 0.054916 -0.011754 0.015096 0.010234 0.115844 0.008475 34O 2dxy 0.141633 0.189078 -0.226343 0.157763 -0.061116 -0.024754 34O 1f0 0.000601 0.003206 -0.001606 -0.003448 -0.000802 0.005101 34O 1f+1 -0.001870 -0.003163 0.005003 -0.003374 0.001649 -0.005810 34O 1f-1 -0.000512 0.000305 0.001418 -0.000658 -0.002635 -0.001296 34O 1f+2 -0.000494 -0.001554 -0.001474 -0.000785 -0.000230 -0.004944 34O 1f-2 -0.001145 0.004276 -0.003176 0.003026 -0.002544 0.004914 34O 1f+3 -0.004013 -0.004639 0.009569 -0.003597 0.000857 -0.000821 34O 1f-3 -0.000675 0.000737 0.001773 -0.001750 0.001788 0.003244 35O 1s 0.005218 0.000810 -0.002285 -0.000187 0.000209 0.001496 35O 2s 0.014742 0.002462 -0.006780 0.000867 0.000947 0.002818 35O 3s -0.043394 -0.014736 0.023037 -0.017005 0.003940 0.019458 35O 4s -0.231732 0.080122 0.100987 0.027518 -0.075327 -0.224580 35O 5s -0.051097 -0.639407 -0.179723 -0.096361 -0.300790 0.115764 35O 1pz -0.029363 0.022009 -0.007831 0.006335 0.047676 -0.038816 35O 1px 0.019208 -0.042481 -0.047787 0.067617 0.044245 0.002444 35O 1py -0.056781 0.059690 0.083660 -0.060631 -0.076322 -0.018132 35O 2pz 0.095215 -0.044167 0.005755 -0.055301 -0.073415 0.014660 35O 2px -0.141951 0.022113 0.064394 -0.054386 -0.093981 -0.083190 35O 2py 0.016452 -0.097731 -0.069720 0.035986 0.016572 0.029384 35O 3pz -0.345652 -0.087774 0.300525 -0.224659 -0.044802 -0.119711 35O 3px -0.209443 -0.262443 -0.070561 -0.095424 -0.045996 0.034335 35O 3py -0.333696 0.094056 0.262420 -0.374609 -0.289973 0.044733 35O 1dz2 0.003798 0.001975 -0.002844 -0.000134 0.001384 0.003255 35O 1dxz 0.003040 0.002359 0.001021 -0.005565 -0.000759 0.002845 35O 1dyz 0.003712 -0.002818 -0.001028 -0.001478 -0.000999 0.002055 35O 1dx2y2 0.003009 0.001300 -0.001697 -0.000118 0.000275 0.001092 35O 1dxy 0.003240 0.001981 0.001232 -0.005638 -0.003992 0.001543 35O 2dz2 0.100100 0.068087 -0.077832 0.012071 0.074042 0.061267 35O 2dxz 0.124690 -0.102543 0.028051 -0.172213 -0.024114 -0.038978 35O 2dyz 0.130210 -0.086896 -0.035811 -0.033628 -0.002704 -0.044879 35O 2dx2y2 0.040857 -0.059276 -0.118725 0.105381 0.112534 0.016218 35O 2dxy 0.039402 -0.013501 0.081332 -0.191757 -0.197851 0.080873 35O 1f0 -0.002631 0.000779 -0.001893 -0.000609 0.002315 0.002820 35O 1f+1 0.009451 -0.002403 -0.000333 -0.006874 -0.000201 -0.000388 35O 1f-1 0.006072 -0.001102 0.000080 -0.002283 -0.000806 -0.000423 35O 1f+2 0.001939 0.002118 0.000884 0.003765 0.002929 -0.004441 35O 1f-2 0.005525 -0.001316 0.000896 -0.003061 -0.002108 0.002706 35O 1f+3 0.005380 -0.003112 -0.002147 -0.001622 -0.002681 0.007908 35O 1f-3 0.008054 -0.001349 0.002452 -0.007963 -0.002847 0.001643 426 427 428 429 430 431 2.35919 2.37650 2.38898 2.39032 2.39730 2.42162 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s 0.000149 0.000445 -0.000472 0.002906 0.000030 -0.002109 0Rh 2s -0.001276 -0.002459 0.002594 -0.016865 -0.000602 0.010433 0Rh 3s 0.000102 0.001129 -0.001202 0.006862 -0.000190 -0.006084 0Rh 4s 0.006548 0.012565 -0.013246 0.086051 0.003031 -0.053206 0Rh 5s -0.012973 -0.020288 0.021113 -0.139802 -0.006245 0.076346 0Rh 6s 0.010199 0.002319 -0.000311 0.005185 0.003736 0.048694 0Rh 7s -0.053840 -0.071920 -0.030463 0.054139 0.027516 -0.581392 0Rh 8s 0.079775 0.030837 0.080770 0.322113 0.111740 0.047282 0Rh 1pz 0.001540 -0.001174 0.003274 -0.002739 0.003940 0.000584 0Rh 1px 0.002836 -0.000180 0.002758 0.000734 0.000679 -0.000488 0Rh 1py -0.000310 -0.005228 -0.003268 -0.000538 0.003289 -0.003724 0Rh 2pz -0.004834 0.004139 -0.011424 0.009754 -0.014592 -0.001864 0Rh 2px -0.009996 0.000592 -0.009892 -0.002666 -0.002713 0.001007 0Rh 2py 0.001283 0.018520 0.012118 0.001919 -0.011335 0.013190 0Rh 3pz -0.010076 -0.002813 0.004790 -0.008092 0.024278 -0.003001 0Rh 3px 0.005865 0.000501 0.009742 0.003286 0.008547 0.014577 0Rh 3py -0.004831 -0.013288 -0.020696 -0.001442 0.001616 -0.009251 0Rh 4pz 0.079007 -0.014925 0.058623 -0.033723 -0.001928 0.025312 0Rh 4px 0.047116 -0.006341 0.027882 0.004093 -0.017687 -0.068008 0Rh 4py 0.011417 -0.073315 0.005238 -0.009771 0.071780 -0.053184 0Rh 5pz -0.166731 0.010364 -0.105383 0.055775 0.020204 -0.051381 0Rh 5px -0.095173 0.014375 -0.046767 0.001970 0.044456 0.135411 0Rh 5py -0.022679 0.130498 -0.032359 0.035901 -0.132958 0.081423 0Rh 6pz 0.005985 0.532575 -0.172513 0.174094 -0.489029 0.405689 0Rh 6px 0.049909 0.022108 -0.193044 -0.089802 -0.377921 -0.381260 0Rh 6py -0.126827 0.234715 0.547884 -0.386314 -0.161640 0.966006 0Rh 1dz2 0.002650 0.005796 -0.001039 0.001160 -0.006074 0.005603 0Rh 1dxz -0.007769 -0.011105 -0.010932 0.004212 0.002150 -0.000255 0Rh 1dyz -0.023472 -0.017764 0.001363 -0.002275 0.003122 0.000856 0Rh 1dx2y2 0.004957 -0.009591 -0.002501 -0.010357 0.004147 0.004915 0Rh 1dxy -0.007845 -0.003278 -0.005194 0.003284 -0.012094 -0.006837 0Rh 2dz2 0.001747 -0.004435 0.001167 -0.001767 0.000848 0.002032 0Rh 2dxz -0.000636 0.000928 -0.000360 -0.001883 0.000323 0.001271 0Rh 2dyz 0.002829 -0.007961 -0.001071 -0.000135 0.001300 0.002694 0Rh 2dx2y2 -0.001237 -0.000276 -0.001487 0.003063 0.000188 -0.000588 0Rh 2dxy -0.000078 -0.002455 -0.000697 0.001129 -0.001804 0.001209 0Rh 3dz2 -0.015596 0.003916 -0.002223 0.004630 0.012901 -0.024752 0Rh 3dxz 0.023971 0.026456 0.031540 -0.003204 -0.007420 -0.005009 0Rh 3dyz 0.050439 0.084586 0.000930 0.006829 -0.014555 -0.014702 0Rh 3dx2y2 -0.008178 0.027624 0.013579 0.014807 -0.012127 -0.010708 0Rh 3dxy 0.021340 0.020101 0.017475 -0.014074 0.041155 0.013636 0Rh 4dz2 0.035599 -0.065461 0.015188 -0.024554 0.013181 0.032804 0Rh 4dxz -0.006317 0.012523 -0.003190 -0.027043 0.005496 0.019044 0Rh 4dyz 0.062894 -0.121411 -0.014033 -0.001186 0.021727 0.044830 0Rh 4dx2y2 -0.015466 -0.005400 -0.023478 0.044510 0.000466 -0.012400 0Rh 4dxy 0.007625 -0.038160 -0.010945 0.016386 -0.023269 0.016522 0Rh 5dz2 -0.242718 0.277335 -0.046336 0.071990 -0.098015 -0.107133 0Rh 5dxz -0.054654 -0.114547 -0.060910 0.105156 -0.009190 -0.072746 0Rh 5dyz -0.635131 0.375389 0.044516 -0.025072 -0.092732 -0.210909 0Rh 5dx2y2 0.045709 -0.020623 0.091815 -0.199126 0.047232 0.099646 0Rh 5dxy -0.177224 0.139002 0.002864 -0.029080 -0.005736 -0.122452 0Rh 1f0 -0.007996 0.010313 -0.060322 -0.053847 0.006431 -0.013537 0Rh 1f+1 0.121446 0.029413 -0.034194 0.026903 -0.043275 0.059546 0Rh 1f-1 -0.016988 0.072706 0.055391 0.003786 0.049706 0.009121 0Rh 1f+2 -0.059379 0.014429 -0.025665 -0.014501 0.103038 0.031662 0Rh 1f-2 0.124469 0.078882 0.050655 0.028081 0.075391 0.116276 0Rh 1f+3 0.030841 0.003450 -0.020878 0.049338 -0.010665 -0.000096 0Rh 1f-3 -0.015596 0.006896 0.074665 0.023057 -0.037726 -0.052914 1Rh 1s -0.000160 0.000426 0.000168 0.002917 0.000103 -0.002110 1Rh 2s 0.001380 -0.002363 -0.000808 -0.016931 -0.000151 0.010492 1Rh 3s -0.000103 0.001072 0.000497 0.006886 0.000517 -0.006056 1Rh 4s -0.007079 0.012075 0.004132 0.086387 0.000813 -0.053507 1Rh 5s 0.014099 -0.019531 -0.006190 -0.140380 0.000107 0.077055 1Rh 6s -0.011647 0.002298 -0.000761 0.005398 -0.004040 0.047862 1Rh 7s 0.071189 -0.073313 0.026734 0.053800 -0.020348 -0.581300 1Rh 8s -0.081570 0.044625 -0.117067 0.319680 -0.099790 0.042668 1Rh 1pz 0.001525 0.000922 0.003051 0.002883 0.003977 -0.000483 1Rh 1px 0.002652 0.000057 0.002745 -0.000654 0.000579 0.000594 1Rh 1py -0.000332 0.005175 -0.002917 0.000247 0.003281 0.003842 1Rh 2pz -0.004779 -0.003245 -0.010628 -0.010270 -0.014723 0.001479 1Rh 2px -0.009356 -0.000149 -0.009847 0.002379 -0.002362 -0.001399 1Rh 2py 0.001356 -0.018346 0.010872 -0.000866 -0.011308 -0.013607 1Rh 3pz -0.010156 0.002111 0.004075 0.008583 0.024379 0.003785 1Rh 3px 0.005697 -0.000993 0.009754 -0.002970 0.008338 -0.014014 1Rh 3py -0.004815 0.013535 -0.019725 0.000104 0.001644 0.009543 1Rh 4pz 0.078962 0.011749 0.055986 0.035130 -0.001527 -0.025863 1Rh 4px 0.043239 0.005356 0.027392 -0.003520 -0.019251 0.068446 1Rh 4py 0.010871 0.070847 0.009674 0.008242 0.071482 0.054828 1Rh 5pz -0.166857 -0.005062 -0.100194 -0.057612 0.020121 0.052294 1Rh 5px -0.087029 -0.013009 -0.044699 -0.002373 0.047111 -0.135961 1Rh 5py -0.022001 -0.124579 -0.038718 -0.034487 -0.132673 -0.084023 1Rh 6pz 0.012753 -0.519221 -0.187096 -0.198984 -0.502326 -0.403276 1Rh 6px 0.032561 -0.011068 -0.207675 0.070807 -0.378178 0.366894 1Rh 6py -0.111625 -0.256283 0.496645 0.425970 -0.151991 -0.985084 1Rh 1dz2 -0.002836 0.006469 0.001074 0.001418 0.006286 0.006005 1Rh 1dxz 0.007480 -0.011026 0.009697 0.004564 -0.002271 -0.000445 1Rh 1dyz 0.023384 -0.018600 -0.002708 -0.002825 -0.003502 0.001456 1Rh 1dx2y2 -0.005257 -0.008984 0.002833 -0.010014 -0.004765 0.004432 1Rh 1dxy 0.008298 -0.003886 0.004657 0.003239 0.012178 -0.006580 1Rh 2dz2 -0.001780 -0.004273 -0.001273 -0.001809 -0.001021 0.002003 1Rh 2dxz 0.000657 0.000910 0.000599 -0.001861 -0.000409 0.001189 1Rh 2dyz -0.002924 -0.007711 0.000610 -0.000056 -0.001498 0.002652 1Rh 2dx2y2 0.001191 -0.000314 0.001083 0.003114 -0.000084 -0.000527 1Rh 2dxy 0.000005 -0.002399 0.000405 0.001099 0.001785 0.001285 1Rh 3dz2 0.016251 0.001336 0.002599 0.004091 -0.012715 -0.025713 1Rh 3dxz -0.023273 0.026312 -0.029208 -0.004264 0.008137 -0.004116 1Rh 3dyz -0.049763 0.085722 0.004844 0.007976 0.016491 -0.016150 1Rh 3dx2y2 0.009197 0.026126 -0.012690 0.013629 0.013361 -0.009651 1Rh 3dxy -0.022257 0.021511 -0.014689 -0.013833 -0.041297 0.012599 1Rh 4dz2 -0.036095 -0.062882 -0.016782 -0.024876 -0.015702 0.032030 1Rh 4dxz 0.006625 0.012354 0.006628 -0.026806 -0.006731 0.017786 1Rh 4dyz -0.064495 -0.117076 0.007004 0.000168 -0.024752 0.043730 1Rh 4dx2y2 0.014920 -0.005960 0.017625 0.045366 0.001070 -0.011442 1Rh 4dxy -0.008710 -0.037147 0.006629 0.016186 0.022929 0.017411 1Rh 5dz2 0.244134 0.269423 0.053938 0.071585 0.107805 -0.097211 1Rh 5dxz 0.052457 -0.113918 0.042714 0.106418 0.012029 -0.068484 1Rh 5dyz 0.642530 0.349330 -0.025465 -0.036675 0.101623 -0.195201 1Rh 5dx2y2 -0.046804 -0.014930 -0.071759 -0.202050 -0.055919 0.092917 1Rh 5dxy 0.184337 0.129205 0.007999 -0.030334 0.008452 -0.121369 1Rh 1f0 -0.010490 -0.006635 -0.065108 0.048930 0.007673 0.013301 1Rh 1f+1 0.123863 -0.027983 -0.034352 -0.031792 -0.043847 -0.058214 1Rh 1f-1 -0.016877 -0.073031 0.053581 -0.002372 0.048859 -0.010979 1Rh 1f+2 -0.059235 -0.014529 -0.026035 0.012834 0.102465 -0.026952 1Rh 1f-2 0.126508 -0.085266 0.044672 -0.027190 0.074502 -0.112862 1Rh 1f+3 0.032796 -0.002612 -0.013969 -0.052272 -0.012402 0.000937 1Rh 1f-3 -0.015559 -0.009285 0.079098 -0.017391 -0.039003 0.051601 2C 1s 0.003106 -0.000830 -0.001068 -0.000944 -0.002000 -0.000412 2C 2s 0.016281 -0.001295 -0.000697 -0.003581 -0.005944 -0.001280 2C 3s -0.145422 0.072106 0.093819 -0.077293 0.050655 -0.022162 2C 4s 0.148890 -0.258627 -0.503748 0.706390 0.036189 0.051269 2C 5s -1.799056 0.526390 -0.161977 -0.009733 -1.231573 0.882952 2C 1pz 0.008347 0.079721 0.061478 -0.028032 0.030091 -0.015117 2C 1px 0.083246 -0.029553 0.028138 -0.003856 0.000828 -0.065974 2C 1py -0.002363 -0.019197 0.027325 -0.022251 0.015998 -0.010024 2C 2pz 0.086666 -0.143872 -0.780361 0.714938 0.158796 0.296693 2C 2px -0.172913 0.010886 -0.264544 0.193302 0.104760 -0.078560 2C 2py -0.195482 0.022009 0.722608 -0.137136 -0.181983 -0.292445 2C 3pz -0.285712 0.211909 -0.090283 0.028530 -0.252389 0.261416 2C 3px 0.142412 0.061061 0.098715 -0.050801 -0.096881 -0.182538 2C 3py -0.248147 0.052698 0.027099 -0.034483 -0.207202 0.131567 2C 1dz2 0.022649 -0.014958 -0.109551 0.054833 0.025043 0.035809 2C 1dxz -0.059310 -0.056879 -0.093711 0.010194 0.002759 0.035476 2C 1dyz -0.002708 -0.007437 0.033146 -0.006932 -0.006472 -0.034445 2C 1dx2y2 0.026063 -0.013309 -0.077837 0.044679 0.018282 0.024225 2C 1dxy -0.055485 -0.014424 0.036907 -0.023449 -0.015444 -0.020214 2C 2dz2 -0.020041 0.065540 -0.293871 0.245348 0.091184 0.208964 2C 2dxz 0.060516 0.195983 0.512959 -0.057986 -0.032950 -0.305121 2C 2dyz -0.079842 -0.155251 0.132872 -0.051138 -0.072909 -0.079949 2C 2dx2y2 -0.036264 -0.051778 0.079559 -0.000645 0.010862 -0.319124 2C 2dxy 0.233967 0.114041 -0.738481 0.536031 0.254309 0.076707 2C 1f0 0.040120 -0.023937 -0.027074 0.020545 0.005943 -0.021428 2C 1f+1 0.027305 0.028213 -0.053211 0.054093 0.037069 -0.020383 2C 1f-1 -0.029262 -0.007679 -0.032946 0.028058 0.009920 0.033071 2C 1f+2 -0.020088 -0.009642 -0.050034 0.004367 -0.001473 0.058397 2C 1f-2 -0.098898 -0.042502 -0.021368 -0.013948 -0.024743 0.021726 2C 1f+3 0.022738 -0.035183 0.061110 -0.038640 -0.017637 -0.018465 2C 1f-3 0.077216 0.024822 0.034912 0.008409 0.020849 -0.069394 3C 1s 0.001467 -0.000324 -0.002084 -0.000169 0.002135 0.000579 3C 2s 0.001462 -0.003519 -0.007030 -0.002011 0.002140 0.001141 3C 3s 0.015256 -0.063137 0.077397 -0.110335 -0.153389 0.023705 3C 4s -0.233069 0.524155 -0.081476 0.835601 0.794296 -0.311936 3C 5s 1.087818 -0.379335 -0.982271 -0.401789 0.265407 -0.521333 3C 1pz -0.033976 0.047720 0.030516 -0.017331 -0.007467 -0.003823 3C 1px -0.053463 -0.053681 -0.019219 -0.040400 -0.070084 0.027496 3C 1py 0.006425 0.061775 -0.028218 0.046600 0.104336 0.035909 3C 2pz -0.034167 0.153686 -0.143552 -0.127844 -0.597538 -0.475705 3C 2px 0.332283 0.115888 0.017034 0.056690 -0.079072 -0.057135 3C 2py 0.327846 -0.293482 -0.067647 -0.775331 -0.905234 -0.024400 3C 3pz 0.062341 0.114475 -0.095124 -0.037041 0.099455 -0.102081 3C 3px 0.135904 -0.198185 -0.126627 -0.114107 -0.105908 0.015062 3C 3py -0.180920 0.174799 0.264628 0.087509 -0.070625 0.217357 3C 1dz2 -0.003750 -0.029938 -0.012308 -0.037820 -0.081414 -0.034403 3C 1dxz 0.073661 0.010167 0.000016 -0.036919 -0.043713 -0.012147 3C 1dyz -0.004086 0.014277 0.004299 0.003778 0.058087 0.047328 3C 1dx2y2 0.036562 -0.021112 -0.011137 -0.053832 -0.123660 -0.041132 3C 1dxy -0.036485 -0.039688 0.001183 -0.007492 -0.058368 -0.037620 3C 2dz2 0.050650 0.210622 -0.178921 -0.559198 -0.580943 -0.136696 3C 2dxz -0.257072 0.053690 0.055299 0.182442 0.229325 -0.089821 3C 2dyz 0.044077 -0.132142 0.013739 -0.138661 -0.369182 -0.170981 3C 2dx2y2 0.003673 -0.083049 -0.004507 0.055604 0.240879 0.251751 3C 2dxy -0.005800 0.017549 0.088268 0.112449 0.457576 0.187133 3C 1f0 0.038699 -0.073662 0.010502 0.028087 0.028009 0.002565 3C 1f+1 0.003003 -0.052028 -0.005659 -0.014366 -0.051350 0.004123 3C 1f-1 0.000876 0.040608 -0.001448 0.017697 0.078037 0.044727 3C 1f+2 -0.008760 -0.041845 -0.004779 -0.032108 -0.063453 0.013238 3C 1f-2 -0.031431 0.000578 0.005404 0.005091 0.018889 0.003020 3C 1f+3 0.034863 -0.020262 0.025080 0.054185 0.057423 -0.002498 3C 1f-3 0.045098 0.058878 -0.008063 -0.034482 0.006201 -0.013956 4C 1s 0.005568 0.007398 0.003176 0.000504 0.001483 -0.005533 4C 2s 0.020603 0.028296 0.013869 0.000456 0.004544 -0.019482 4C 3s -0.056256 -0.169901 -0.232343 0.126172 -0.080097 0.258648 4C 4s -0.650793 -0.475850 0.535701 -0.797613 0.005486 -0.452202 4C 5s 0.549338 -1.110980 0.011173 -0.175376 -0.119241 -0.146492 4C 1pz -0.117857 -0.096754 -0.077894 -0.027643 -0.055095 0.096426 4C 1px -0.018323 0.061432 -0.027514 0.010372 -0.020079 0.075269 4C 1py -0.061967 -0.027153 0.019766 -0.077766 -0.067869 0.055187 4C 2pz 0.259103 -0.222654 0.103136 0.243103 0.152473 -0.307595 4C 2px -0.670303 0.024836 -0.002267 -0.031036 0.034539 0.068578 4C 2py -0.119629 -0.086296 -0.284132 0.398432 0.253107 -0.083009 4C 3pz -0.484252 0.217735 -0.160374 0.016658 -1.138279 0.503010 4C 3px 0.002965 0.284915 -0.197425 0.078807 -0.177260 0.623140 4C 3py -0.265414 0.299924 0.253515 -0.216107 -0.793498 0.353286 4C 1dz2 -0.034234 -0.022464 0.045881 -0.026176 -0.009467 -0.024604 4C 1dxz -0.020568 -0.034418 0.009390 -0.017972 0.007504 -0.000270 4C 1dyz -0.012341 -0.012339 -0.062380 0.060184 0.010501 -0.009860 4C 1dx2y2 0.029781 0.031478 0.066211 -0.026928 -0.019286 -0.020754 4C 1dxy 0.031457 0.008642 0.003403 -0.005967 -0.017757 0.003812 4C 2dz2 0.349043 -0.025630 -0.190960 -0.073928 -0.029293 0.162537 4C 2dxz 0.071016 0.212286 -0.176368 0.070927 0.043298 -0.066407 4C 2dyz 0.212983 0.036892 0.291699 -0.374118 -0.102623 -0.060888 4C 2dx2y2 -0.188783 -0.039596 -0.370233 0.403320 0.190788 0.033737 4C 2dxy -0.290141 0.121302 0.326271 -0.094295 0.010923 -0.266693 4C 1f0 0.019782 0.008536 -0.140342 0.085957 0.033352 0.060734 4C 1f+1 0.034180 -0.009076 -0.090259 0.055906 -0.001714 0.030725 4C 1f-1 0.006595 -0.004892 -0.026160 0.002718 -0.011477 0.046018 4C 1f+2 -0.008107 -0.033800 -0.134172 0.054247 0.048803 0.014971 4C 1f-2 -0.016995 0.001543 -0.010557 -0.006199 0.000964 -0.012305 4C 1f+3 -0.015236 -0.010120 0.054823 -0.024697 -0.004664 -0.017989 4C 1f-3 0.018357 -0.006080 0.048164 -0.025739 -0.032019 -0.033136 5C 1s 0.004945 -0.008917 0.001022 0.001610 -0.003136 0.002573 5C 2s 0.015351 -0.033064 0.002707 0.002676 -0.015787 0.006605 5C 3s -0.100599 0.176378 -0.117077 0.088406 0.323093 -0.135053 5C 4s 0.095573 0.527712 0.347472 -0.619710 -0.896172 0.794539 5C 5s -0.701697 1.053012 -0.102604 -0.040917 -0.191345 0.134720 5C 1pz 0.025078 0.004623 -0.045848 -0.089318 -0.013541 0.006483 5C 1px 0.003225 0.104071 -0.020061 -0.017061 0.009660 -0.064288 5C 1py -0.020570 -0.048393 0.040784 0.036054 -0.093509 -0.050590 5C 2pz -0.308794 0.240794 0.166871 0.438930 0.193844 0.003744 5C 2px 0.504102 0.052023 0.212894 0.301150 0.314286 0.161839 5C 2py 0.325583 -0.445378 -0.123082 -0.319160 0.100337 0.134119 5C 3pz 0.418312 -0.267307 -0.665262 -0.426611 -0.288307 -0.434959 5C 3px -0.033492 0.040269 -0.415593 -0.096419 -0.019889 -0.539619 5C 3py -0.462118 0.253936 1.033090 0.257009 -0.210997 0.478508 5C 1dz2 -0.007865 0.001519 0.017504 0.040506 0.061588 0.029170 5C 1dxz -0.019186 0.035216 0.030580 0.029717 0.052040 0.026425 5C 1dyz -0.026582 -0.002850 0.000388 -0.061228 -0.067004 0.009649 5C 1dx2y2 -0.033732 -0.051449 -0.010987 0.006333 -0.004335 0.007778 5C 1dxy 0.011624 -0.026431 0.006265 -0.022513 -0.035151 0.007734 5C 2dz2 -0.082114 -0.008996 -0.117938 -0.187763 -0.095350 -0.030048 5C 2dxz 0.409040 -0.228048 -0.123764 -0.333541 -0.348569 0.034664 5C 2dyz 0.011594 0.065713 0.094428 0.440009 0.470122 0.000758 5C 2dx2y2 0.033351 0.316185 0.119461 0.132199 -0.147888 -0.247027 5C 2dxy -0.269367 0.274443 -0.034155 0.027928 -0.003920 -0.158029 5C 1f0 -0.003749 -0.004531 0.011287 0.020065 0.014039 -0.001434 5C 1f+1 0.011301 -0.009744 -0.038479 -0.045426 -0.065510 -0.025436 5C 1f-1 -0.013074 0.012770 0.026948 0.091137 0.167874 0.067912 5C 1f+2 0.014086 0.010099 0.000048 0.008410 -0.018447 0.010048 5C 1f-2 -0.039119 0.011798 0.040478 0.041045 0.083321 0.042612 5C 1f+3 -0.005317 0.003217 -0.007993 0.019839 0.049569 0.032624 5C 1f-3 0.019917 0.023971 0.010749 -0.062949 -0.081833 -0.012214 6C 1s -0.005058 -0.008885 -0.001515 0.001524 0.003060 0.002715 6C 2s -0.015686 -0.033048 -0.004526 0.002400 0.015355 0.007238 6C 3s 0.106160 0.171493 0.120018 0.095994 -0.312208 -0.148551 6C 4s -0.122135 0.553656 -0.261217 -0.631381 0.855975 0.834236 6C 5s 0.725454 1.050808 0.174263 -0.043191 0.204731 0.142628 6C 1pz 0.026776 -0.002829 -0.053640 0.085775 -0.011873 -0.005101 6C 1px 0.001361 -0.104588 -0.026522 0.014501 0.007082 0.064380 6C 1py -0.022089 0.048298 0.048935 -0.031000 -0.095235 0.047157 6C 2pz -0.309085 -0.248969 0.190360 -0.425062 0.179068 -0.007834 6C 2px 0.505848 -0.065078 0.228227 -0.295728 0.313827 -0.141163 6C 2py 0.328645 0.441832 -0.134060 0.304546 0.122160 -0.129581 6C 3pz 0.424215 0.293693 -0.670061 0.365395 -0.280756 0.449887 6C 3px -0.038217 -0.016729 -0.416020 0.062494 -0.021999 0.544671 6C 3py -0.471093 -0.296836 1.024000 -0.159544 -0.220689 -0.513199 6C 1dz2 0.007106 0.004634 -0.018029 0.040080 -0.061770 0.028035 6C 1dxz 0.018446 0.036827 -0.028964 0.027694 -0.050895 0.025970 6C 1dyz 0.026913 -0.003360 0.002505 -0.062244 0.064584 0.012467 6C 1dx2y2 0.033720 -0.050914 0.008315 0.006632 0.002593 0.009307 6C 1dxy -0.011369 -0.027392 -0.006553 -0.023291 0.034267 0.008324 6C 2dz2 0.082395 -0.021284 0.132685 -0.183320 0.093984 -0.025968 6C 2dxz -0.405020 -0.232661 0.141638 -0.326271 0.345435 0.030397 6C 2dyz -0.013010 0.071462 -0.125354 0.437282 -0.455926 -0.016151 6C 2dx2y2 -0.033022 0.312693 -0.136705 0.126376 0.161716 -0.255819 6C 2dxy 0.270662 0.284044 0.038312 0.023051 0.015019 -0.150641 6C 1f0 -0.003540 0.004244 0.012882 -0.019241 0.013408 0.001421 6C 1f+1 0.011195 0.011487 -0.040251 0.043928 -0.066100 0.025217 6C 1f-1 -0.011822 -0.016153 0.029224 -0.091630 0.167052 -0.064468 6C 1f+2 0.013065 -0.010227 -0.000277 -0.008142 -0.019276 -0.009733 6C 1f-2 -0.037714 -0.014662 0.041240 -0.038938 0.084046 -0.042791 6C 1f+3 -0.005594 -0.003375 -0.008187 -0.021011 0.049485 -0.031948 6C 1f-3 0.019608 -0.023727 0.006069 0.064492 -0.081433 0.011006 7C 1s -0.005241 0.007535 -0.002916 0.000436 -0.001283 -0.005521 7C 2s -0.019567 0.028857 -0.012434 0.000160 -0.003861 -0.019326 7C 3s 0.050646 -0.180661 0.207062 0.131121 0.077898 0.253482 7C 4s 0.644707 -0.459293 -0.475390 -0.810158 -0.028759 -0.426629 7C 5s -0.573239 -1.102152 -0.048532 -0.163400 0.089822 -0.140491 7C 1pz -0.117773 0.102382 -0.075785 0.025218 -0.051379 -0.097386 7C 1px -0.016446 -0.059140 -0.031000 -0.012394 -0.019630 -0.074238 7C 1py -0.062185 0.029081 0.014971 0.081307 -0.065536 -0.057215 7C 2pz 0.279827 0.195985 0.151963 -0.240810 0.144234 0.320177 7C 2px -0.672777 -0.030265 0.001427 0.047207 0.028773 -0.073468 7C 2py -0.115113 0.089198 -0.236699 -0.417032 0.242723 0.095303 7C 3pz -0.484440 -0.199800 -0.192476 -0.026099 -1.134551 -0.519037 7C 3px 0.011951 -0.277087 -0.213948 -0.090561 -0.174587 -0.616560 7C 3py -0.270991 -0.297906 0.207331 0.238954 -0.795131 -0.373695 7C 1dz2 0.031387 -0.018037 -0.046516 -0.030919 0.010168 -0.024189 7C 1dxz 0.019143 -0.033552 -0.010589 -0.019429 -0.007929 -0.001230 7C 1dyz 0.014668 -0.015206 0.053452 0.063370 -0.009199 -0.011825 7C 1dx2y2 -0.031570 0.034373 -0.060224 -0.030727 0.019766 -0.019512 7C 1dxy -0.031202 0.009113 -0.003086 -0.006414 0.017932 0.003627 7C 2dz2 -0.331870 -0.054762 0.204176 -0.054320 0.019056 0.163092 7C 2dxz -0.054709 0.207822 0.186008 0.088445 -0.041796 -0.064005 7C 2dyz -0.208014 0.047527 -0.242839 -0.383005 0.091449 -0.050742 7C 2dx2y2 0.182691 -0.042060 0.338939 0.436092 -0.184028 0.022312 7C 2dxy 0.285374 0.136561 -0.312269 -0.117986 -0.004778 -0.255997 7C 1f0 0.018035 -0.003299 -0.133058 -0.096794 0.033740 -0.056399 7C 1f+1 0.033182 0.013105 -0.085280 -0.062920 -0.001563 -0.029366 7C 1f-1 0.006809 0.006541 -0.028580 -0.006068 -0.009958 -0.045999 7C 1f+2 -0.009435 0.038377 -0.127398 -0.064607 0.049650 -0.011649 7C 1f-2 -0.017231 -0.000638 -0.011980 0.004874 0.001240 0.010954 7C 1f+3 -0.014600 0.008532 0.052450 0.028907 -0.004495 0.015865 7C 1f-3 0.018100 0.005465 0.048117 0.030226 -0.032681 0.031552 8C 1s -0.001464 -0.000404 0.002280 0.000019 -0.002087 0.000475 8C 2s -0.001324 -0.003861 0.007550 -0.001501 -0.002088 0.000992 8C 3s -0.017571 -0.058543 -0.077692 -0.115702 0.145507 0.030003 8C 4s 0.241010 0.513958 0.044480 0.839745 -0.746443 -0.341933 8C 5s -1.123391 -0.407753 0.964175 -0.290969 -0.282348 -0.566078 8C 1pz -0.035052 -0.047283 0.029229 0.019106 -0.006584 0.002745 8C 1px -0.053073 0.057286 -0.018663 0.041406 -0.068790 -0.030126 8C 1py 0.007093 -0.059352 -0.030761 -0.049193 0.100769 -0.032260 8C 2pz -0.038003 -0.139364 -0.136384 0.132215 -0.614098 0.468053 8C 2px 0.326807 -0.113756 0.020749 -0.057903 -0.090920 0.071521 8C 2py 0.326610 0.299046 -0.107778 0.776705 -0.881431 0.004991 8C 3pz 0.064813 -0.108906 -0.096504 0.026399 0.097133 0.109522 8C 3px 0.138950 0.210343 -0.123485 0.104483 -0.103191 -0.011967 8C 3py -0.186429 -0.182408 0.255960 -0.059353 -0.076482 -0.226309 8C 1dz2 0.003795 -0.031986 0.011074 -0.038426 0.080260 -0.032339 8C 1dxz -0.072949 0.012056 0.003354 -0.037318 0.044777 -0.012885 8C 1dyz 0.003913 0.015503 -0.002256 0.004810 -0.059291 0.046379 8C 1dx2y2 -0.035111 -0.020731 0.011235 -0.054594 0.122731 -0.038700 8C 1dxy 0.036390 -0.041188 -0.004951 -0.008997 0.058511 -0.035563 8C 2dz2 -0.042550 0.189080 0.220526 -0.550122 0.576388 -0.132549 8C 2dxz 0.255300 0.047031 -0.072583 0.190952 -0.242122 -0.084709 8C 2dyz -0.042231 -0.135897 -0.021304 -0.139562 0.359109 -0.161040 8C 2dx2y2 -0.009436 -0.088189 0.009784 0.057837 -0.236311 0.242107 8C 2dxy 0.001516 0.037895 -0.079293 0.115188 -0.470797 0.190694 8C 1f0 0.039644 0.070938 0.014607 -0.027895 0.028629 -0.002636 8C 1f+1 0.002358 0.054137 -0.003716 0.016065 -0.052811 -0.004703 8C 1f-1 0.001809 -0.040144 -0.004244 -0.018634 0.077081 -0.042156 8C 1f+2 -0.009818 0.042167 -0.005155 0.033379 -0.062124 -0.015033 8C 1f-2 -0.031903 -0.001347 0.005458 -0.005204 0.019600 -0.003902 8C 1f+3 0.034316 0.015795 0.028520 -0.053530 0.056557 0.003162 8C 1f-3 0.044833 -0.060583 -0.012928 0.032156 0.007116 0.014758 9C 1s -0.003012 -0.000921 0.000975 -0.000891 0.001947 -0.000420 9C 2s -0.016060 -0.001474 0.000721 -0.003438 0.005725 -0.001242 9C 3s 0.146016 0.073882 -0.075253 -0.081065 -0.050588 -0.017942 9C 4s -0.165990 -0.254842 0.391148 0.723635 -0.020505 0.022523 9C 5s 1.810911 0.490839 0.204763 -0.024441 1.244423 0.905828 9C 1pz 0.005532 -0.079691 0.050420 0.029515 0.029941 0.013379 9C 1px 0.080630 0.030077 0.028133 0.003558 0.000737 0.063657 9C 1py 0.005185 0.013427 0.023545 0.022420 0.016727 0.009894 9C 2pz 0.095126 0.159292 -0.698472 -0.767820 0.151580 -0.266541 9C 2px -0.174311 -0.006599 -0.248084 -0.212288 0.102769 0.078019 9C 2py -0.177495 -0.052622 0.722986 0.202879 -0.196940 0.275971 9C 3pz -0.292713 -0.199105 -0.104429 -0.031845 -0.252952 -0.263974 9C 3px 0.135804 -0.063062 0.087134 0.052014 -0.097216 0.176888 9C 3py -0.235849 -0.059451 0.020362 0.041969 -0.210833 -0.133235 9C 1dz2 -0.022472 -0.016289 0.102001 0.063244 -0.026009 0.031392 9C 1dxz 0.059804 -0.060397 0.089453 0.015841 -0.004784 0.035063 9C 1dyz 0.003175 -0.006648 -0.032811 -0.009534 0.007432 -0.033380 9C 1dx2y2 -0.027052 -0.014220 0.075532 0.052702 -0.019369 0.022540 9C 1dxy 0.055772 -0.016634 -0.036319 -0.027946 0.015882 -0.017624 9C 2dz2 0.031839 0.034190 0.285051 0.264452 -0.087660 0.204530 9C 2dxz -0.074909 0.229930 -0.493351 -0.089977 0.043358 -0.291872 9C 2dyz 0.066037 -0.137080 -0.154985 -0.070635 0.074936 -0.078458 9C 2dx2y2 0.050384 -0.063575 -0.110279 -0.029024 0.003041 -0.308867 9C 2dxy -0.210886 0.082931 0.695280 0.598237 -0.249728 0.046604 9C 1f0 0.042294 0.019816 -0.022398 -0.022808 0.005453 0.022190 9C 1f+1 0.023026 -0.022348 -0.048958 -0.058211 0.035623 0.022510 9C 1f-1 -0.028022 0.009137 -0.030198 -0.030720 0.010404 -0.030768 9C 1f+2 -0.017223 0.012037 -0.049805 -0.008547 0.001041 -0.056668 9C 1f-2 -0.096189 0.041633 -0.019236 0.014795 -0.023847 -0.023256 9C 1f+3 0.025314 0.029879 0.058041 0.042905 -0.017342 0.014324 9C 1f-3 0.077288 -0.025519 0.036342 -0.006412 0.019131 0.069590 10H 1s 0.141244 0.057925 0.032151 0.077857 0.045993 -0.174261 10H 2s 0.030554 0.127580 0.133885 -0.080272 -0.060848 0.377915 10H 3s 0.197228 -0.003500 -0.049486 0.083447 0.139678 -0.095171 10H 1pz 0.015637 0.081171 -0.162899 0.055301 0.029749 0.252842 10H 1px -0.039080 -0.087897 -0.100983 -0.002072 -0.002088 0.049575 10H 1py -0.074961 -0.109924 0.330958 -0.297654 -0.147849 0.053821 11H 1s -0.183327 -0.137953 -0.071017 -0.073076 -0.067005 0.123511 11H 2s 0.491304 0.151046 -0.847574 0.545087 0.342305 0.110889 11H 3s 0.204211 -0.014304 0.087331 -0.118418 -0.031959 -0.057887 11H 1pz 0.106908 0.126303 -0.414789 0.260386 0.146826 0.130937 11H 1px 0.092126 -0.081709 -0.081559 0.057348 0.029495 -0.146689 11H 1py 0.026295 0.002519 0.057857 0.044527 0.015645 -0.150609 12H 1s -0.161564 0.082093 -0.034896 0.019633 0.005246 0.063586 12H 2s 0.077228 -0.100595 1.044373 -0.539982 -0.228761 -0.522721 12H 3s 0.165481 0.059812 -0.035033 0.016387 0.059878 -0.007361 12H 1pz 0.028939 -0.023310 0.183422 -0.114798 -0.058127 -0.103448 12H 1px 0.066673 -0.005666 -0.007521 0.096062 0.052698 -0.224849 12H 1py -0.076365 -0.024904 0.481140 -0.292834 -0.132266 -0.138778 13H 1s -0.031782 -0.145183 -0.012816 0.047456 -0.067552 -0.003387 13H 2s -0.288528 0.166787 0.013657 -0.099113 -0.225144 -0.319230 13H 3s -0.157693 0.014196 0.059348 0.094971 0.047174 -0.007927 13H 1pz -0.088520 0.123381 -0.093352 -0.273414 -0.313023 -0.129482 13H 1px 0.037582 0.083597 -0.074442 -0.185970 -0.093863 0.043474 13H 1py 0.037456 0.011705 -0.062726 -0.068886 -0.146927 0.031166 14H 1s 0.164476 -0.022194 0.052097 0.055727 0.072469 -0.047578 14H 2s 0.058777 0.000880 -0.193822 -0.582441 -1.027006 -0.140795 14H 3s 0.005037 -0.058770 0.084212 0.058665 0.061972 -0.005069 14H 1pz 0.025794 0.121661 -0.091456 -0.328720 -0.383476 -0.121011 14H 1px 0.081494 -0.098468 -0.025327 -0.073070 -0.228814 -0.002540 14H 1py 0.011149 0.020227 0.070464 0.118484 0.179605 0.012512 15H 1s -0.024115 0.213353 -0.035083 -0.056962 0.129433 0.066502 15H 2s -0.127258 -0.400010 0.175203 0.510773 0.684018 0.360023 15H 3s -0.087296 -0.000376 -0.076120 -0.110767 -0.089385 -0.039275 15H 1pz 0.020220 -0.029934 0.033067 0.058149 -0.035974 -0.071739 15H 1px -0.018295 -0.079143 -0.052875 -0.002636 -0.065695 0.079765 15H 1py 0.025569 0.142702 -0.107774 -0.267358 -0.364929 -0.112304 16H 1s -0.298474 -0.261118 -0.040889 -0.013091 -0.030101 0.138377 16H 2s 0.966694 0.832647 0.091185 0.069373 0.056293 -0.513657 16H 3s -0.431059 -0.331631 -0.090281 0.036670 -0.047061 0.036021 16H 1pz 0.385532 0.315988 0.009588 0.081262 -0.013769 -0.248619 16H 1px -0.076572 -0.145319 -0.068356 0.080612 -0.055033 -0.248175 16H 1py 0.171395 0.147144 0.061050 -0.083587 0.028620 0.259875 17H 1s 0.219454 0.286123 0.042333 -0.013038 0.002880 0.144433 17H 2s -0.725537 -0.924548 -0.160912 0.090377 -0.056207 -0.514619 17H 3s 0.333180 0.378558 0.019124 0.016878 -0.014479 0.048707 17H 1pz 0.159386 0.135798 0.088226 -0.144381 0.063507 0.380541 17H 1px 0.264706 0.314296 0.031583 0.005626 -0.000268 -0.012476 17H 1py -0.232679 -0.199570 0.008999 -0.053901 0.009843 0.203377 18H 1s -0.219437 0.286848 -0.022746 -0.012294 0.000730 0.145813 18H 2s 0.728052 -0.934636 0.096239 0.089708 0.049384 -0.520152 18H 3s -0.332941 0.374736 0.001256 0.019099 0.021004 0.049401 18H 1pz 0.171973 -0.153539 0.065540 0.146260 0.071180 -0.379899 18H 1px 0.262967 -0.315834 0.014020 -0.008092 -0.005797 0.015353 18H 1py -0.226343 0.190439 0.013475 0.058851 0.015916 -0.214349 19H 1s 0.297711 -0.261442 0.028215 -0.013892 0.026183 0.141257 19H 2s -0.961672 0.830344 -0.055321 0.073363 -0.042339 -0.522513 19H 3s 0.430258 -0.337217 0.068964 0.036851 0.045254 0.038101 19H 1pz 0.378156 -0.307961 0.001567 -0.085417 -0.022928 0.257228 19H 1px -0.084117 0.155633 -0.050730 -0.082705 -0.058748 0.251010 19H 1py 0.182090 -0.159937 0.042106 0.081538 0.031330 -0.253143 20H 1s 0.022704 0.207075 0.051196 -0.050830 -0.129199 0.061880 20H 2s 0.123624 -0.375992 -0.210502 0.505325 -0.688805 0.354427 20H 3s 0.091209 -0.011197 0.085176 -0.107480 0.086602 -0.035976 20H 1pz 0.019513 0.026479 0.041661 -0.053535 -0.038346 0.069314 20H 1px -0.018356 0.085779 -0.049299 0.001627 -0.066939 -0.078756 20H 1py 0.022384 -0.127766 -0.126992 0.265081 -0.367866 0.109492 21H 1s -0.164968 -0.007373 -0.055351 0.054841 -0.072538 -0.048742 21H 2s -0.048255 -0.031305 0.217401 -0.587608 1.031809 -0.131054 21H 3s -0.001201 -0.051896 -0.086799 0.050890 -0.060617 -0.003353 21H 1pz 0.021535 -0.105940 -0.112603 0.324848 -0.382046 0.117553 21H 1px 0.080055 0.101848 -0.022190 0.075639 -0.230605 0.000855 21H 1py 0.012639 -0.030989 0.076355 -0.116502 0.180862 -0.013517 22H 1s 0.029527 -0.152256 -0.000113 0.045335 0.069731 -0.002945 22H 2s 0.293539 0.169330 -0.014480 -0.099446 0.213645 -0.301136 22H 3s 0.160426 0.012654 -0.064733 0.086688 -0.042035 -0.008036 22H 1pz -0.091550 -0.110250 -0.111081 0.270206 -0.309550 0.122752 22H 1px 0.036475 -0.076353 -0.093467 0.179526 -0.090166 -0.042880 22H 1py 0.037000 0.000499 -0.065884 0.067653 -0.152762 -0.027297 23H 1s 0.173559 0.064049 0.035516 0.016075 -0.002573 0.063605 23H 2s -0.111975 -0.042202 -1.005433 -0.619307 0.232953 -0.487301 23H 3s -0.162184 0.054057 0.035964 0.019241 -0.059524 -0.011767 23H 1pz 0.035591 0.006047 0.175027 0.125648 -0.056112 0.097288 23H 1px 0.059224 0.014602 0.000848 -0.097977 0.046656 0.218216 23H 1py -0.058616 -0.002891 0.457302 0.328634 -0.131430 0.127916 24H 1s 0.169942 -0.128158 0.068839 -0.070697 0.061147 0.121635 24H 2s -0.451279 0.100727 0.815134 0.621834 -0.343065 0.090459 24H 3s -0.209021 -0.003177 -0.074789 -0.119282 0.025939 -0.056681 24H 1pz 0.087704 -0.099011 -0.403931 -0.294823 0.145483 -0.121139 24H 1px 0.090657 0.081018 -0.073687 -0.067665 0.030505 0.142150 24H 1py 0.028543 -0.001888 0.060530 -0.040713 0.011029 0.147643 25H 1s -0.138118 0.063552 -0.037335 0.079142 -0.040483 -0.174185 25H 2s -0.045108 0.133583 -0.101118 -0.081052 0.053387 0.372016 25H 3s -0.198664 0.001000 0.037749 0.088486 -0.137785 -0.099986 25H 1pz 0.008315 -0.064502 -0.170420 -0.069737 0.033016 -0.246240 25H 1px -0.044312 0.095814 -0.098944 -0.006379 0.002161 -0.050667 25H 1py -0.055558 0.084688 0.306825 0.321337 -0.139809 -0.061365 26O 1s 0.000467 -0.000341 0.001923 0.002229 0.005322 0.001345 26O 2s 0.000018 -0.004006 0.004277 0.007204 0.016675 0.004194 26O 3s 0.003175 0.064485 0.006084 -0.036369 -0.068158 -0.032600 26O 4s -0.081157 -0.271969 -0.176863 -0.038142 -0.145241 0.122693 26O 5s 1.536716 0.435056 0.245952 -0.022626 0.414400 0.127033 26O 1pz 0.051512 0.079958 0.059606 0.038471 0.018896 -0.014754 26O 1px -0.004683 0.017047 0.050319 -0.050281 -0.063017 0.016314 26O 1py 0.070783 0.040268 -0.090016 0.046247 0.014873 0.006843 26O 2pz -0.149008 -0.119436 -0.052265 -0.041720 -0.017132 -0.002638 26O 2px -0.153454 0.028135 0.024069 0.080876 0.165080 -0.155961 26O 2py -0.164017 -0.049257 0.073939 -0.020919 0.028090 -0.047089 26O 3pz 0.205094 -0.133530 0.092354 -0.043256 0.114360 0.395329 26O 3px -0.623821 -0.225591 0.061222 -0.228125 -0.268594 0.305473 26O 3py -0.007235 -0.188235 -0.357392 0.173206 0.018178 0.416875 26O 1dz2 0.001679 -0.000370 0.004641 -0.003795 -0.002539 0.005042 26O 1dxz 0.000088 0.002493 0.003330 -0.000864 -0.002634 0.001198 26O 1dyz 0.004482 0.003286 -0.000816 0.001005 -0.001851 0.007374 26O 1dx2y2 0.003562 0.001179 0.002968 0.000734 -0.000244 -0.004618 26O 1dxy 0.002760 0.002680 0.003029 -0.001716 -0.001770 -0.003436 26O 2dz2 -0.036135 -0.068120 0.095465 -0.120849 -0.050163 0.079313 26O 2dxz 0.189388 0.007776 0.021112 -0.054793 -0.015316 -0.025750 26O 2dyz 0.173937 -0.025718 -0.082046 0.035590 0.013435 0.095201 26O 2dx2y2 0.138114 0.055661 -0.092370 0.121551 0.048141 -0.017958 26O 2dxy 0.168549 0.067199 0.233191 -0.105388 -0.021221 -0.137458 26O 1f0 -0.002104 0.000233 -0.001139 -0.001117 -0.001617 -0.000019 26O 1f+1 -0.003603 -0.003536 0.004803 -0.003917 -0.003748 -0.000542 26O 1f-1 -0.004820 -0.006527 0.003680 -0.005551 -0.000263 0.000772 26O 1f+2 0.002392 0.003191 0.005924 -0.002300 0.000500 -0.003020 26O 1f-2 -0.001810 -0.002361 -0.006764 0.004185 0.004636 -0.000942 26O 1f+3 0.002443 -0.001674 -0.007354 0.001358 -0.000811 0.004555 26O 1f-3 -0.000001 -0.002762 -0.008906 0.004005 -0.003691 0.009454 27O 1s -0.004954 0.000322 0.004369 0.001621 -0.003410 -0.003695 27O 2s -0.014643 0.002860 0.013716 0.005150 -0.008857 -0.010647 27O 3s 0.066071 -0.034109 -0.050877 -0.018399 0.019361 0.040206 27O 4s 0.047398 0.113153 -0.143986 -0.093337 0.142064 0.103830 27O 5s -0.728440 -0.672029 0.134374 -0.000649 -0.286150 -0.254134 27O 1pz -0.095629 -0.031892 0.036225 0.045437 0.064168 -0.003230 27O 1px 0.008870 0.018959 -0.037364 -0.028315 -0.006460 -0.003087 27O 1py 0.045876 0.050754 0.007882 -0.034742 0.064844 0.063737 27O 2pz 0.095757 0.059227 -0.014663 -0.033850 -0.022254 0.010942 27O 2px 0.071109 0.011340 0.177941 0.107046 -0.040075 -0.008355 27O 2py -0.092424 -0.099114 -0.027218 0.026295 -0.059862 -0.056260 27O 3pz -0.529267 0.130430 0.028497 0.232135 0.261001 -0.090471 27O 3px 0.196224 0.570105 -0.116347 0.006830 0.152263 0.156733 27O 3py 0.405765 -0.423914 -0.100951 0.007308 0.119872 0.161127 27O 1dz2 0.000156 0.005937 0.000027 0.003150 0.006716 0.001717 27O 1dxz 0.001635 -0.002150 -0.001066 -0.003289 -0.000138 -0.000923 27O 1dyz 0.005757 0.000261 0.003409 -0.000006 -0.000012 0.001634 27O 1dx2y2 0.001037 -0.003938 -0.001457 0.002888 0.002961 0.003212 27O 1dxy 0.001595 0.008309 0.002885 0.001204 0.003577 0.000365 27O 2dz2 0.027690 0.122809 0.015048 0.102330 0.174949 0.053889 27O 2dxz 0.167084 -0.032090 -0.045507 -0.165290 -0.183642 -0.009209 27O 2dyz 0.100990 -0.062030 0.020029 -0.024620 -0.040138 0.024348 27O 2dx2y2 -0.012948 -0.212792 -0.020920 0.065424 0.015343 -0.002716 27O 2dxy 0.030168 0.162360 0.026275 0.016560 -0.006217 -0.074722 27O 1f0 0.001318 -0.003073 -0.003916 0.000929 -0.004822 -0.002448 27O 1f+1 -0.002486 0.004406 -0.001255 0.005799 0.012315 0.001519 27O 1f-1 0.001093 -0.000822 0.000100 0.002289 0.002034 0.000528 27O 1f+2 -0.003453 0.000202 -0.000256 0.003632 0.002122 -0.000263 27O 1f-2 -0.000947 -0.005199 -0.004968 -0.006059 -0.008821 -0.004434 27O 1f+3 0.000841 0.009146 -0.005293 -0.004382 -0.001293 -0.004453 27O 1f-3 -0.000741 -0.002871 0.004029 0.005627 0.002050 0.000243 28O 1s -0.002669 -0.001315 0.001533 0.001325 0.003517 -0.001374 28O 2s -0.008865 -0.004309 0.003436 0.004755 0.011495 -0.003057 28O 3s 0.040765 0.016150 0.000609 -0.031328 -0.053934 -0.005705 28O 4s 0.093597 0.049427 -0.063262 0.012831 -0.033564 0.059750 28O 5s -0.527758 0.397219 0.010795 0.014134 0.281193 0.009185 28O 1pz -0.014021 -0.002617 -0.051974 0.063172 0.000817 -0.003643 28O 1px -0.055239 0.058044 -0.051863 0.077198 0.056171 0.004019 28O 1py -0.086975 0.043550 0.111627 -0.047427 0.003033 -0.106145 28O 2pz 0.080825 0.016594 0.084151 -0.015137 0.053639 -0.039489 28O 2px 0.032408 -0.011967 0.025190 -0.088719 -0.112041 0.025716 28O 2py 0.089231 -0.013233 -0.081202 0.068081 0.025553 0.084174 28O 3pz -0.580540 -0.773327 -0.076253 -0.056875 -0.159478 -0.092306 28O 3px -0.392159 0.349677 -0.033652 0.168741 0.298070 -0.056211 28O 3py -0.480330 -0.368780 -0.087682 -0.020280 -0.113478 -0.038513 28O 1dz2 0.001347 0.002684 0.003146 -0.001546 0.000315 -0.000396 28O 1dxz -0.006404 -0.007555 -0.000996 -0.001988 0.001966 0.000982 28O 1dyz 0.000085 -0.002003 0.003804 -0.005056 -0.005198 -0.002330 28O 1dx2y2 -0.001835 0.005791 -0.000608 0.003544 0.001999 0.002407 28O 1dxy -0.005054 -0.003543 -0.001852 0.002668 -0.000661 0.002688 28O 2dz2 0.013630 -0.008712 0.161555 -0.151693 -0.058689 0.013343 28O 2dxz -0.075436 -0.253509 0.033466 -0.065408 -0.015971 -0.032171 28O 2dyz -0.016326 -0.102284 -0.073922 -0.035011 -0.068636 0.093555 28O 2dx2y2 -0.115782 0.177923 0.065521 0.059390 0.045936 -0.042644 28O 2dxy -0.158014 -0.077083 -0.020222 0.054926 -0.009000 -0.018672 28O 1f0 -0.000569 -0.001726 0.002532 -0.002837 -0.003256 -0.001235 28O 1f+1 0.000417 -0.000593 -0.005546 0.001633 -0.002252 0.005345 28O 1f-1 0.002808 0.002965 -0.003222 0.004241 0.005293 -0.000943 28O 1f+2 0.005336 0.002324 -0.003250 0.001651 0.002965 -0.004118 28O 1f-2 0.002565 0.001975 0.000788 -0.003848 -0.002858 0.004896 28O 1f+3 0.002718 0.003993 0.014729 -0.007674 -0.002715 -0.005662 28O 1f-3 0.002788 -0.001210 -0.004446 0.003798 -0.000220 0.005585 29O 1s -0.002099 0.000888 0.000053 0.002120 -0.000728 0.013135 29O 2s -0.007209 0.002924 0.000370 0.005708 -0.002348 0.044573 29O 3s 0.053454 -0.020306 -0.007340 -0.007370 0.012078 -0.308446 29O 4s -0.087310 0.023265 0.022322 -0.091209 -0.025348 0.463945 29O 5s -0.082541 0.070916 0.054292 0.014608 0.109331 0.453267 29O 1pz -0.269812 -0.283585 -0.061298 0.028680 -0.045969 -0.055122 29O 1px -0.068329 -0.111658 0.019507 -0.079003 0.022978 0.088058 29O 1py 0.017273 0.030879 -0.018737 0.053175 -0.025495 -0.075793 29O 2pz 0.935621 0.887523 0.149882 -0.038708 0.074424 0.023515 29O 2px 0.279210 0.352257 0.009364 0.089543 -0.011270 -0.023653 29O 2py -0.045535 -0.096621 0.006973 -0.019936 0.019260 -0.033514 29O 3pz -0.219845 -0.111389 -0.058853 0.090185 0.019701 -0.143513 29O 3px -0.014891 -0.091125 0.100990 -0.246561 0.059842 0.210561 29O 3py 0.050849 -0.024454 -0.113603 0.123116 -0.048508 -0.487112 29O 1dz2 0.006285 0.007638 0.001666 -0.000986 0.000622 0.001089 29O 1dxz -0.005409 -0.007307 0.000023 -0.001941 -0.000877 0.001481 29O 1dyz 0.014322 0.011600 0.001430 -0.000789 0.000710 0.000843 29O 1dx2y2 -0.001939 -0.000677 -0.000834 0.004206 -0.000623 -0.003155 29O 1dxy 0.006328 0.006029 0.001225 0.001238 0.000475 -0.001704 29O 2dz2 0.007031 0.028057 -0.042703 0.100216 -0.027032 -0.343655 29O 2dxz 0.033681 -0.066579 -0.035435 0.034912 -0.043868 -0.216227 29O 2dyz -0.044627 -0.081685 0.016714 -0.063128 0.018112 0.175867 29O 2dx2y2 -0.011542 -0.013544 -0.047923 0.108268 -0.023260 -0.181179 29O 2dxy -0.006423 -0.012623 -0.041160 0.105332 -0.047136 -0.241771 29O 1f0 0.009184 0.004201 -0.001055 0.005318 -0.000292 -0.018262 29O 1f+1 0.003502 0.005095 0.001539 -0.002880 0.000683 0.008808 29O 1f-1 0.032292 0.026248 0.002729 0.004369 0.000740 -0.018134 29O 1f+2 -0.011289 -0.010046 -0.000915 -0.002126 -0.000644 0.004482 29O 1f-2 -0.037671 -0.042073 -0.007507 0.004125 -0.001951 -0.013999 29O 1f+3 0.011936 0.010805 0.000765 -0.001102 0.000328 -0.002456 29O 1f-3 0.018217 0.020387 0.002018 -0.000360 -0.000371 0.001685 30O 1s -0.000271 0.002096 0.004085 0.000653 -0.003504 -0.001534 30O 2s -0.000805 0.006708 0.013595 0.003425 -0.008330 -0.005026 30O 3s -0.008955 -0.019594 -0.067739 -0.035558 0.004863 0.027239 30O 4s 0.063720 -0.135386 -0.013167 0.085739 0.156045 0.013598 30O 5s 0.898883 -0.484856 0.205262 -0.127704 0.098357 0.282176 30O 1pz 0.079256 -0.018401 -0.033203 -0.088940 -0.097497 -0.020212 30O 1px 0.041970 -0.003946 0.057294 0.042346 0.009034 -0.026774 30O 1py 0.009621 0.039179 -0.006729 -0.053051 -0.035213 -0.009780 30O 2pz -0.157389 0.070643 0.058608 0.107210 0.039761 -0.055006 30O 2px 0.067954 -0.073189 -0.104736 -0.037774 0.048868 0.053479 30O 2py 0.117714 -0.102485 -0.045163 0.021245 0.095193 0.095457 30O 3pz -0.032424 0.459598 -0.078924 -0.122470 0.010904 0.327837 30O 3px 0.429693 -0.118281 0.239018 0.162646 0.212131 -0.054008 30O 3py -0.093572 -0.520503 0.062543 0.127443 -0.019679 -0.285928 30O 1dz2 -0.004604 0.000489 0.001208 -0.002291 -0.000573 0.001218 30O 1dxz -0.001602 0.003398 0.000881 -0.001221 0.000372 0.004070 30O 1dyz -0.000065 -0.000955 0.003967 0.005094 0.006676 -0.000481 30O 1dx2y2 -0.000301 -0.000574 0.002979 0.003283 0.005873 -0.002913 30O 1dxy -0.002447 -0.004453 0.000618 0.004300 0.000565 -0.002652 30O 2dz2 -0.135669 -0.014846 0.023678 0.018616 0.062542 0.070532 30O 2dxz -0.084678 0.109211 -0.016728 -0.025178 0.035815 0.088976 30O 2dyz -0.089388 -0.005113 0.043512 0.027725 -0.042564 -0.028531 30O 2dx2y2 -0.061639 0.007603 0.088632 0.186237 0.166684 -0.031460 30O 2dxy 0.063369 -0.153967 0.026046 0.071266 0.003499 -0.036378 30O 1f0 0.002124 0.000879 -0.003118 0.004985 0.013300 0.006121 30O 1f+1 -0.003080 0.001687 -0.000136 0.001702 0.000703 0.000765 30O 1f-1 -0.001768 -0.000379 0.001686 -0.003868 -0.001502 0.000538 30O 1f+2 -0.001115 -0.000310 -0.003695 -0.006985 -0.009752 -0.000973 30O 1f-2 -0.001076 0.002180 0.004063 0.004967 0.002825 0.002936 30O 1f+3 -0.007187 -0.001702 -0.001189 0.003742 0.006500 -0.000228 30O 1f-3 -0.003404 -0.000595 0.000796 0.001325 -0.001253 0.002233 31O 1s 0.000326 0.002327 -0.004125 0.000329 0.003546 -0.001384 31O 2s 0.000938 0.007511 -0.013751 0.002366 0.008520 -0.004621 31O 3s 0.008728 -0.023792 0.069397 -0.030602 -0.006504 0.026745 31O 4s -0.066980 -0.138386 0.007564 0.088812 -0.153577 0.004640 31O 5s -0.887382 -0.471085 -0.210798 -0.140130 -0.109529 0.266407 31O 1pz 0.079780 0.019113 -0.036125 0.087124 -0.098443 0.022044 31O 1px 0.042102 -0.000249 0.063409 -0.038593 0.006849 0.028117 31O 1py 0.009955 -0.038747 -0.013952 0.053429 -0.036838 0.009451 31O 2pz -0.158299 -0.073344 0.064293 -0.102499 0.038797 0.049370 31O 2px 0.067844 0.081100 -0.109007 0.028758 0.051053 -0.048480 31O 2py 0.117593 0.101416 -0.042454 -0.027003 0.098922 -0.090453 31O 3pz -0.028336 -0.467991 -0.116681 0.116092 0.007862 -0.325454 31O 3px 0.422812 0.100325 0.260997 -0.148167 0.208019 0.069673 31O 3py -0.099039 0.532991 0.100985 -0.113604 -0.020093 0.281210 31O 1dz2 0.004563 0.000218 -0.000931 -0.002537 0.000632 0.001265 31O 1dxz 0.001647 0.003390 -0.000451 -0.001317 -0.000416 0.004050 31O 1dyz -0.000114 -0.000549 -0.004324 0.004868 -0.006642 -0.000537 31O 1dx2y2 0.000168 -0.000495 -0.003341 0.003023 -0.005686 -0.003026 31O 1dxy 0.002530 -0.004434 -0.001195 0.004177 -0.000484 -0.002548 31O 2dz2 0.133399 -0.021063 -0.021695 0.016190 -0.065703 0.073253 31O 2dxz 0.084557 0.110618 0.028795 -0.024965 -0.035739 0.089174 31O 2dyz 0.086698 -0.004472 -0.050205 0.024049 0.043714 -0.027788 31O 2dx2y2 0.059294 0.008581 -0.107796 0.181007 -0.161535 -0.036794 31O 2dxy -0.061584 -0.152469 -0.038945 0.068374 -0.002477 -0.036437 31O 1f0 0.002238 -0.000961 -0.003096 -0.005412 0.013313 -0.005693 31O 1f+1 -0.003108 -0.001572 -0.000013 -0.001639 0.000631 -0.000859 31O 1f-1 -0.001748 0.000447 0.001462 0.004028 -0.001349 -0.000739 31O 1f+2 -0.001169 0.000315 -0.004068 0.006859 -0.009641 0.000719 31O 1f-2 -0.001023 -0.002415 0.004241 -0.004730 0.002740 -0.003022 31O 1f+3 -0.007109 0.001600 -0.000844 -0.003832 0.006590 0.000187 31O 1f-3 -0.003519 0.000521 0.000930 -0.001267 -0.001093 -0.002451 32O 1s 0.002128 0.000843 -0.000085 0.002143 0.000878 0.013192 32O 2s 0.007308 0.002809 -0.000341 0.005773 0.002783 0.044786 32O 3s -0.053832 -0.020613 0.004144 -0.007472 -0.013390 -0.310405 32O 4s 0.088882 0.025755 -0.007339 -0.091538 0.022788 0.468402 32O 5s 0.069227 0.080996 -0.052656 0.010819 -0.112483 0.454414 32O 1pz -0.270618 0.286670 -0.039418 -0.026425 -0.042513 0.050425 32O 1px -0.065089 0.107269 0.018582 0.081144 0.029890 -0.088240 32O 1py 0.009319 -0.019046 -0.016129 -0.054289 -0.029647 0.075391 32O 2pz 0.937271 -0.896121 0.094266 0.035494 0.064787 -0.020298 32O 2px 0.274329 -0.347780 -0.001956 -0.091909 -0.021226 0.021458 32O 2py -0.022434 0.071025 0.013247 0.021082 0.022915 0.035893 32O 3pz -0.221929 0.115319 -0.039923 -0.086297 0.018208 0.133814 32O 3px -0.014339 0.079167 0.079514 0.252094 0.073965 -0.215123 32O 3py 0.041468 0.040354 -0.097930 -0.129010 -0.055365 0.492636 32O 1dz2 -0.005760 0.007329 -0.001087 -0.001009 -0.000564 0.001105 32O 1dxz 0.005674 -0.007551 -0.000138 -0.001957 0.000735 0.001501 32O 1dyz -0.014544 0.011921 -0.000753 -0.000688 -0.000632 0.000780 32O 1dx2y2 0.002223 -0.001005 0.000350 0.004240 0.000827 -0.003122 32O 1dxy -0.006063 0.005932 -0.001024 0.001265 -0.000334 -0.001720 32O 2dz2 -0.004368 0.023176 0.033627 0.104563 0.035415 -0.355335 32O 2dxz -0.031003 -0.070390 0.025409 0.034260 0.044165 -0.212437 32O 2dyz 0.041232 -0.078580 -0.010629 -0.056456 -0.020460 0.155441 32O 2dx2y2 0.008833 -0.015314 0.032983 0.108995 0.027060 -0.180263 32O 2dxy 0.010252 -0.021228 0.030136 0.109589 0.054952 -0.252120 32O 1f0 0.007316 -0.002555 -0.000678 -0.005094 -0.000608 0.017298 32O 1f+1 0.004540 -0.006521 0.001090 0.003204 0.000859 -0.009794 32O 1f-1 0.031917 -0.025659 0.001755 -0.004726 0.000135 0.019216 32O 1f+2 -0.011468 0.009887 -0.000608 0.002352 -0.000457 -0.005385 32O 1f-2 -0.038445 0.043021 -0.004697 -0.003979 -0.001671 0.013593 32O 1f+3 0.010267 -0.009025 -0.000092 0.000927 0.000182 0.002987 32O 1f-3 0.018563 -0.020560 0.000847 0.000216 -0.000635 -0.001395 33O 1s 0.002575 -0.001259 -0.001690 0.001305 -0.003479 -0.001379 33O 2s 0.008604 -0.004188 -0.004088 0.004715 -0.011377 -0.003162 33O 3s -0.040433 0.016370 0.004417 -0.031373 0.053219 -0.004229 33O 4s -0.086751 0.048830 0.057819 0.014063 0.034769 0.055471 33O 5s 0.545707 0.381624 0.008069 -0.002468 -0.276501 0.022472 33O 1pz -0.014090 0.004296 -0.049720 -0.068071 0.000019 0.002755 33O 1px -0.054979 -0.057607 -0.048009 -0.080294 0.053590 -0.002178 33O 1py -0.086400 -0.045912 0.107894 0.057964 0.000058 0.101635 33O 2pz 0.085941 -0.024508 0.083006 0.017775 0.053106 0.043743 33O 2px 0.028700 0.012326 0.019167 0.092597 -0.109742 -0.029481 33O 2py 0.090782 0.012732 -0.077269 -0.077684 0.027462 -0.078622 33O 3pz -0.568386 0.785962 -0.036472 0.056271 -0.145168 0.078010 33O 3px -0.400282 -0.348359 -0.035990 -0.161111 0.284313 0.057346 33O 3py -0.475543 0.385208 -0.063392 0.023374 -0.108775 0.028398 33O 1dz2 -0.001237 0.002448 -0.002485 -0.001558 -0.000369 -0.000169 33O 1dxz 0.006416 -0.007708 0.000717 -0.001990 -0.002131 0.001012 33O 1dyz -0.000233 -0.001774 -0.003311 -0.005223 0.005086 -0.001919 33O 1dx2y2 0.001899 0.005629 0.000644 0.003571 -0.001866 0.002278 33O 1dxy 0.004991 -0.003792 0.001431 0.002695 0.000598 0.002727 33O 2dz2 -0.011568 -0.013477 -0.147837 -0.164170 0.054622 0.019390 33O 2dxz 0.070952 -0.252673 -0.041483 -0.067681 0.010937 -0.030492 33O 2dyz 0.016625 -0.107592 0.073565 -0.030110 0.063325 0.096338 33O 2dx2y2 0.115388 0.181553 -0.062555 0.052368 -0.039006 -0.043033 33O 2dxy 0.154443 -0.081710 0.008168 0.052278 0.010086 -0.016990 33O 1f0 -0.000647 0.001587 0.002635 0.003191 -0.003314 0.001176 33O 1f+1 0.000274 0.001094 -0.005397 -0.001970 -0.002124 -0.005247 33O 1f-1 0.002856 -0.003130 -0.003039 -0.004653 0.005233 0.001231 33O 1f+2 0.005147 -0.002148 -0.003388 -0.002177 0.002889 0.004203 33O 1f-2 0.002688 -0.002047 -0.000024 0.003772 -0.002701 -0.004979 33O 1f+3 0.002897 -0.004528 0.013850 0.008702 -0.002769 0.005399 33O 1f-3 0.002971 0.001291 -0.003998 -0.004056 -0.000224 -0.005373 34O 1s 0.004985 0.000427 -0.004623 0.001224 0.003471 -0.003509 34O 2s 0.014735 0.003240 -0.014319 0.003913 0.009122 -0.010123 34O 3s -0.066609 -0.036419 0.050467 -0.013329 -0.021656 0.038072 34O 4s -0.047788 0.119160 0.169829 -0.084239 -0.139115 0.103491 34O 5s 0.738101 -0.691381 -0.171891 -0.031529 0.284837 -0.228059 34O 1pz -0.092732 0.031804 0.043918 -0.043050 0.065485 0.001010 34O 1px 0.008119 -0.017517 -0.040608 0.024561 -0.005052 0.003034 34O 1py 0.046925 -0.051708 -0.000985 0.032560 0.066957 -0.061594 34O 2pz 0.093294 -0.060286 -0.023763 0.032209 -0.023506 -0.008637 34O 2px 0.072519 -0.015757 0.190423 -0.095936 -0.041400 0.010319 34O 2py -0.093680 0.102658 -0.018426 -0.024262 -0.062093 0.052717 34O 3pz -0.530503 -0.123694 0.040408 -0.225726 0.258433 0.086393 34O 3px 0.200009 -0.569466 -0.153069 -0.027903 0.152870 -0.142533 34O 3py 0.409660 0.417927 -0.084014 -0.019526 0.131202 -0.152970 34O 1dz2 -0.000164 0.006208 0.000237 0.003291 -0.006641 0.001532 34O 1dxz -0.001749 -0.001942 0.001156 -0.003145 -0.000046 -0.000878 34O 1dyz -0.005726 0.000357 -0.003309 -0.000239 0.000118 0.001509 34O 1dx2y2 -0.001103 -0.003832 0.001048 0.003009 -0.002998 0.003119 34O 1dxy -0.001535 0.008474 -0.002437 0.001056 -0.003258 0.000204 34O 2dz2 -0.027852 0.131280 -0.011928 0.105188 -0.174566 0.050090 34O 2dxz -0.165266 -0.031186 0.058049 -0.162201 0.182249 -0.009330 34O 2dyz -0.102331 -0.060153 -0.021782 -0.025874 0.038558 0.024969 34O 2dx2y2 0.010885 -0.209229 0.002101 0.063944 -0.015021 -0.001796 34O 2dxy -0.030128 0.169230 -0.024571 0.014300 0.012309 -0.075984 34O 1f0 0.001272 0.003378 -0.003456 -0.001156 -0.004894 0.002467 34O 1f+1 -0.002588 -0.004503 -0.001264 -0.005998 0.012126 -0.001335 34O 1f-1 0.001195 0.000617 0.000291 -0.002282 0.001931 -0.000425 34O 1f+2 -0.003339 -0.000098 -0.000054 -0.003594 0.001924 0.000208 34O 1f-2 -0.000957 0.005496 -0.004920 0.005819 -0.008668 0.004252 34O 1f+3 0.000729 -0.009007 -0.006091 0.004002 -0.001512 0.004572 34O 1f-3 -0.000718 0.002723 0.004571 -0.005335 0.002081 -0.000358 35O 1s -0.000540 -0.000060 -0.002088 0.002249 -0.005264 0.001226 35O 2s -0.000204 -0.003253 -0.005060 0.007304 -0.016518 0.003823 35O 3s -0.003184 0.063811 0.001420 -0.037540 0.068125 -0.031077 35O 4s 0.088012 -0.297819 0.159753 -0.034867 0.138696 0.127397 35O 5s -1.530028 0.460289 -0.216120 -0.012997 -0.415066 0.101439 35O 1pz 0.052865 -0.082660 0.059790 -0.034484 0.015417 0.016246 35O 1px -0.004267 -0.016572 0.043833 0.054285 -0.061456 -0.019041 35O 1py 0.070549 -0.038618 -0.090575 -0.055563 0.013650 -0.002640 35O 2pz -0.149121 0.122144 -0.050359 0.040016 -0.014063 0.000521 35O 2px -0.151457 -0.039706 0.029985 -0.081092 0.158753 0.158263 35O 2py -0.163325 0.044043 0.077162 0.028944 0.027871 0.043560 35O 3pz 0.222009 0.116542 0.101046 0.049763 0.119045 -0.382288 35O 3px -0.611738 0.228256 0.057228 0.242235 -0.259482 -0.316628 35O 3py 0.001006 0.193668 -0.336340 -0.203123 0.025070 -0.403342 35O 1dz2 -0.001889 -0.000014 -0.004326 -0.004141 0.002436 0.005065 35O 1dxz -0.000046 0.002589 -0.002969 -0.001072 0.002596 0.001311 35O 1dyz -0.004543 0.003118 0.001120 0.001234 0.001728 0.007300 35O 1dx2y2 -0.003542 0.001547 -0.003004 0.000506 0.000395 -0.004514 35O 1dxy -0.002717 0.002708 -0.002731 -0.001874 0.001821 -0.003368 35O 2dz2 0.030854 -0.058021 -0.089219 -0.128950 0.046676 0.080209 35O 2dxz -0.184521 0.011390 -0.010583 -0.049782 0.011510 -0.024384 35O 2dyz -0.173249 -0.026401 0.079637 0.044973 -0.016935 0.090804 35O 2dx2y2 -0.136949 0.058413 0.085753 0.130459 -0.044469 -0.022131 35O 2dxy -0.167723 0.075498 -0.222533 -0.121105 0.022810 -0.133617 35O 1f0 -0.002195 0.000013 -0.001283 0.001074 -0.001595 -0.000163 35O 1f+1 -0.003455 0.003458 0.004978 0.004544 -0.003746 0.000347 35O 1f-1 -0.004755 0.006432 0.003430 0.005910 -0.000064 -0.000853 35O 1f+2 0.002416 -0.003354 0.005564 0.002623 0.000440 0.002964 35O 1f-2 -0.001897 0.002589 -0.006031 -0.004570 0.004529 0.001238 35O 1f+3 0.002246 0.002055 -0.007002 -0.001841 -0.000691 -0.004368 35O 1f-3 0.000158 0.003299 -0.008515 -0.004555 -0.003533 -0.009352 432 433 434 435 436 437 2.42308 2.43131 2.43173 2.43806 2.45119 2.45901 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s -0.001416 0.000027 -0.001449 0.000283 -0.001037 0.001904 0Rh 2s 0.006133 -0.000333 0.007512 -0.002986 0.009794 -0.009694 0Rh 3s -0.004623 -0.000047 -0.003976 -0.000152 -0.000148 0.005331 0Rh 4s -0.031514 0.001662 -0.038343 0.015358 -0.050200 0.049532 0Rh 5s 0.044292 -0.002933 0.057233 -0.032586 0.099988 -0.072805 0Rh 6s 0.019646 -0.000443 0.023348 0.036744 -0.074938 -0.037037 0Rh 7s -0.092487 0.020515 -0.238560 -0.290943 0.020859 0.273525 0Rh 8s 0.731485 0.101054 0.050909 0.208566 -0.212906 0.165908 0Rh 1pz -0.000712 -0.001111 -0.000326 0.012865 0.001988 0.001711 0Rh 1px 0.003676 -0.000034 -0.004222 0.003043 -0.004567 0.000407 0Rh 1py 0.002447 -0.001082 0.011077 0.000884 0.003239 0.008080 0Rh 2pz 0.002837 0.003916 0.001163 -0.045829 -0.007329 -0.006222 0Rh 2px -0.013344 0.000155 0.014934 -0.011333 0.016421 -0.001335 0Rh 2py -0.008798 0.003503 -0.039661 -0.003237 -0.011506 -0.028866 0Rh 3pz -0.008700 -0.002487 -0.000912 0.037516 0.011072 0.007593 0Rh 3px 0.015914 -0.000891 -0.010003 0.019761 -0.016186 -0.001342 0Rh 3py 0.008558 0.004643 0.036840 0.004443 0.008330 0.025216 0Rh 4pz 0.016935 -0.015897 -0.004947 0.164296 0.005324 0.013271 0Rh 4px 0.028000 0.002930 -0.062717 -0.003875 -0.048521 0.014876 0Rh 4py 0.028645 -0.044590 0.123539 0.004912 0.049052 0.097461 0Rh 5pz -0.041156 0.023035 0.010306 -0.290056 -0.000682 -0.030252 0Rh 5px -0.035586 -0.004136 0.110303 0.021080 0.068034 -0.027436 0Rh 5py -0.065533 0.086156 -0.214671 -0.015222 -0.116126 -0.175511 0Rh 6pz 0.414300 0.075663 0.232620 -1.141320 -0.372344 -0.059224 0Rh 6px -0.805025 -0.120915 0.270809 -0.607199 1.051313 0.142736 0Rh 6py -0.019331 0.013194 -1.104799 0.084364 0.532138 -0.354431 0Rh 1dz2 0.002095 0.009935 0.000038 -0.001892 0.015786 0.008412 0Rh 1dxz -0.001907 -0.000559 -0.003887 0.005499 0.020386 0.001116 0Rh 1dyz -0.009132 0.016208 -0.000627 -0.001777 -0.003853 0.003124 0Rh 1dx2y2 0.009567 0.000307 0.003455 0.002615 -0.012653 -0.006761 0Rh 1dxy 0.000522 0.012442 0.003245 -0.005120 -0.006087 -0.001093 0Rh 2dz2 0.003704 -0.003899 0.001441 0.000365 -0.001421 0.002900 0Rh 2dxz 0.003346 0.000744 0.001356 -0.001714 -0.002605 -0.001523 0Rh 2dyz 0.003576 -0.009727 0.002677 -0.001999 0.000781 0.007393 0Rh 2dx2y2 -0.004481 -0.002037 -0.000476 -0.000269 0.005103 0.003660 0Rh 2dxy -0.000911 -0.003139 -0.001924 -0.001015 0.001962 0.002960 0Rh 3dz2 -0.022712 -0.009613 -0.006622 0.003747 -0.037373 -0.036526 0Rh 3dxz -0.009908 -0.001825 0.004748 -0.007856 -0.044818 0.003812 0Rh 3dyz 0.008885 -0.000146 -0.010211 0.013897 0.007141 -0.042454 0Rh 3dx2y2 -0.006102 0.008448 -0.007277 -0.005978 0.011966 0.002335 0Rh 3dxy 0.002629 -0.019907 -0.000685 0.018761 0.007971 -0.010513 0Rh 4dz2 0.060711 -0.064933 0.021818 0.002751 -0.023564 0.046619 0Rh 4dxz 0.053900 0.011995 0.019277 -0.020895 -0.042464 -0.023849 0Rh 4dyz 0.058539 -0.163154 0.037862 -0.030999 0.011702 0.123070 0Rh 4dx2y2 -0.072242 -0.033324 -0.009636 -0.005295 0.081446 0.055518 0Rh 4dxy -0.013811 -0.054872 -0.024052 -0.015494 0.031966 0.049887 0Rh 5dz2 -0.260498 0.382836 -0.062262 0.006289 0.248135 -0.175159 0Rh 5dxz -0.258230 -0.064445 -0.093633 0.071359 0.363870 0.099748 0Rh 5dyz -0.317597 0.901586 -0.084369 0.143442 -0.043227 -0.619916 0Rh 5dx2y2 0.385498 0.156735 0.082365 0.063014 -0.480221 -0.271608 0Rh 5dxy 0.052219 0.368647 0.088720 0.033233 -0.202022 -0.275017 0Rh 1f0 -0.078723 0.042868 -0.074219 0.063711 0.061764 -0.147972 0Rh 1f+1 0.072309 -0.017274 -0.043618 -0.032979 -0.062620 0.120717 0Rh 1f-1 -0.030068 0.043701 -0.069042 -0.098428 -0.026537 -0.219453 0Rh 1f+2 0.090118 0.034831 -0.052773 0.167297 -0.063174 -0.096551 0Rh 1f-2 0.053739 -0.117858 -0.161127 -0.076473 -0.054604 0.232097 0Rh 1f+3 0.093765 0.033911 0.052328 -0.050855 -0.095933 -0.001761 0Rh 1f-3 0.050007 0.061275 0.000124 0.049840 -0.089159 -0.183492 1Rh 1s 0.001417 0.000276 -0.001404 0.000286 0.000942 0.002041 1Rh 2s -0.006181 -0.001297 0.007347 -0.003054 -0.009247 -0.010869 1Rh 3s 0.004598 0.000837 -0.003805 -0.000171 -0.000078 0.005426 1Rh 4s 0.031760 0.006664 -0.037486 0.015701 0.047400 0.055563 1Rh 5s -0.044896 -0.009871 0.056109 -0.033270 -0.095478 -0.084511 1Rh 6s -0.018787 -0.002865 0.022757 0.037057 0.075304 -0.029161 1Rh 7s 0.092498 0.014698 -0.240544 -0.287430 -0.035068 0.273340 1Rh 8s -0.735967 -0.100605 0.015266 0.221473 0.200667 0.175421 1Rh 1pz -0.000909 -0.001318 0.000133 -0.012759 0.002572 -0.001531 1Rh 1px 0.003530 -0.000991 0.004178 -0.002965 -0.004482 -0.000824 1Rh 1py 0.002788 0.001376 -0.010962 -0.000893 0.004126 -0.007615 1Rh 2pz 0.003534 0.004647 -0.000496 0.045441 -0.009431 0.005569 1Rh 2px -0.012819 0.003564 -0.014778 0.011051 0.016125 0.002835 1Rh 2py -0.010014 -0.005286 0.039176 0.003282 -0.014675 0.027220 1Rh 3pz -0.009169 -0.002983 0.000776 -0.036922 0.013267 -0.006800 1Rh 3px 0.015332 -0.003734 0.009893 -0.019446 -0.016153 -0.000145 1Rh 3py 0.009555 0.012542 -0.034800 -0.004720 0.011151 -0.024060 1Rh 4pz 0.014006 -0.019095 0.001094 -0.164064 0.010903 -0.011904 1Rh 4px 0.026735 -0.009027 0.062154 0.004605 -0.046533 -0.019228 1Rh 4py 0.032954 -0.016121 -0.128775 -0.004115 0.059431 -0.090377 1Rh 5pz -0.035760 0.029338 -0.004619 0.289923 -0.010150 0.028051 1Rh 5px -0.033257 0.016132 -0.108681 -0.023093 0.063932 0.033131 1Rh 5py -0.072956 0.036723 0.225354 0.013854 -0.134016 0.159677 1Rh 6pz 0.418895 0.128014 -0.206628 1.131894 -0.424615 0.035439 1Rh 6px -0.795398 -0.041475 -0.308778 0.628463 1.057583 -0.037410 1Rh 6py -0.047879 -0.229844 1.073739 -0.078534 0.466755 0.404691 1Rh 1dz2 -0.002093 -0.009556 -0.001829 -0.001531 -0.015880 0.006773 1Rh 1dxz 0.001649 0.001395 -0.003696 0.005453 -0.020440 -0.000759 1Rh 1dyz 0.008772 -0.015810 -0.003672 -0.001362 0.003357 0.003971 1Rh 1dx2y2 -0.009542 -0.001147 0.003075 0.002737 0.012704 -0.005348 1Rh 1dxy -0.000732 -0.012862 0.000872 -0.004925 0.005756 -0.000424 1Rh 2dz2 -0.003899 0.003478 0.002114 0.000364 0.000819 0.002917 1Rh 2dxz -0.003345 -0.001029 0.001092 -0.001664 0.002709 -0.001285 1Rh 2dyz -0.004091 0.008812 0.004471 -0.002117 -0.002150 0.007106 1Rh 2dx2y2 0.004352 0.002080 0.000037 -0.000351 -0.005397 0.003187 1Rh 2dxy 0.000747 0.003415 -0.001214 -0.001077 -0.002433 0.002721 1Rh 3dz2 0.023594 0.010474 -0.004541 0.002762 0.040357 -0.032043 1Rh 3dxz 0.010615 0.000764 0.005414 -0.007955 0.044492 0.007948 1Rh 3dyz -0.005559 0.003166 -0.010040 0.013297 0.000468 -0.043490 1Rh 3dx2y2 0.006611 -0.006333 -0.008568 -0.005939 -0.010776 0.000555 1Rh 3dxy -0.001300 0.019907 0.002620 0.018508 -0.004897 -0.011279 1Rh 4dz2 -0.063782 0.058402 0.033018 0.002576 0.014097 0.046864 1Rh 4dxz -0.053826 -0.015897 0.015096 -0.020062 0.044105 -0.019997 1Rh 4dyz -0.066593 0.149488 0.068092 -0.033171 -0.033780 0.118342 1Rh 4dx2y2 0.070350 0.034267 -0.001214 -0.006694 -0.086049 0.047937 1Rh 4dxy 0.011159 0.057830 -0.012010 -0.016639 -0.039729 0.045907 1Rh 5dz2 0.273119 -0.358141 -0.130069 0.011135 -0.207300 -0.190608 1Rh 5dxz 0.255647 0.082116 -0.072720 0.066694 -0.370511 0.066234 1Rh 5dyz 0.347443 -0.856650 -0.253612 0.159741 0.139812 -0.594367 1Rh 5dx2y2 -0.378828 -0.168582 0.040707 0.071364 0.499705 -0.224014 1Rh 5dxy -0.042353 -0.376132 0.012895 0.041323 0.236192 -0.249699 1Rh 1f0 -0.084518 0.025634 0.080258 -0.063393 0.048366 0.151777 1Rh 1f+1 0.074818 -0.026245 0.040611 0.032571 -0.050239 -0.124100 1Rh 1f-1 -0.033813 0.028447 0.075449 0.096585 -0.055672 0.215009 1Rh 1f+2 0.085052 0.019176 0.061574 -0.167119 -0.071889 0.089071 1Rh 1f-2 0.055453 -0.149772 0.135864 0.078790 -0.031175 -0.235440 1Rh 1f+3 0.097030 0.044444 -0.042807 0.048866 -0.099174 -0.005950 1Rh 1f-3 0.046972 0.058668 0.012264 -0.052042 -0.108359 0.172944 2C 1s -0.000041 0.002292 0.001616 0.001654 0.000960 0.003107 2C 2s -0.001710 0.004882 0.004935 0.004707 0.001786 0.007654 2C 3s 0.012805 -0.071516 -0.042811 -0.046257 -0.079861 -0.234938 2C 4s 0.050083 0.168501 -0.162734 -0.006564 0.408147 1.024721 2C 5s 0.659920 0.486553 -0.363844 -0.758708 -0.052597 3.763369 2C 1pz 0.038715 -0.063180 -0.048263 -0.065083 -0.041542 -0.081061 2C 1px -0.121745 0.048139 0.043433 0.087776 0.019037 0.007963 2C 1py -0.031611 -0.008865 -0.011303 0.006818 -0.018765 -0.061932 2C 2pz -0.028991 0.044205 -0.124531 -0.058343 0.220052 0.512422 2C 2px 0.073689 0.337810 0.177181 0.342296 0.083996 0.216172 2C 2py 0.078312 -0.089455 -0.248464 -0.120920 0.042475 0.391509 2C 3pz 0.175850 0.033310 -0.125442 -0.315584 -0.041570 0.962155 2C 3px 0.020402 0.089760 0.043277 0.158512 0.044855 0.185916 2C 3py 0.081957 0.089082 -0.068688 -0.081667 0.020201 0.624132 2C 1dz2 0.008025 0.011799 0.004068 -0.001465 0.025044 0.001258 2C 1dxz -0.008731 0.066875 0.062224 0.062614 0.008887 0.024123 2C 1dyz -0.000587 0.006106 -0.004576 0.004134 0.018314 0.002096 2C 1dx2y2 -0.027663 0.008761 0.004361 0.019024 0.010392 0.006652 2C 1dxy -0.002662 0.021936 0.010579 0.024372 -0.005373 0.028282 2C 2dz2 0.160414 -0.179329 -0.106509 -0.256350 -0.163413 -0.010868 2C 2dxz 0.064573 -0.177038 -0.286296 -0.143111 0.060849 -0.049922 2C 2dyz -0.206079 0.198312 0.101750 0.238554 0.130996 0.317254 2C 2dx2y2 -0.353873 0.362386 0.237054 0.527509 0.141642 0.055442 2C 2dxy -0.056290 0.138301 0.038357 0.176070 0.176076 -0.045725 2C 1f0 -0.036341 0.038303 0.018179 0.068224 0.030451 0.012723 2C 1f+1 -0.036723 0.039875 0.026626 0.042396 0.017745 0.005718 2C 1f-1 0.054558 -0.035076 -0.028653 -0.061446 -0.008402 0.000508 2C 1f+2 0.027074 -0.029034 -0.009261 -0.047774 -0.025425 -0.024470 2C 1f-2 0.005332 0.038155 0.008342 0.004184 0.012335 0.028190 2C 1f+3 -0.040395 0.007516 -0.000786 0.026106 -0.003760 -0.021162 2C 1f-3 -0.060003 0.030025 0.020037 0.067007 0.020102 0.003560 3C 1s -0.001461 -0.001052 -0.002310 0.000814 0.000368 -0.003657 3C 2s -0.005382 -0.001253 -0.006048 0.001482 0.001606 -0.009844 3C 3s 0.132265 0.020601 0.112942 -0.069175 0.003312 0.174101 3C 4s -0.530162 -0.054934 -0.360741 0.296639 -0.144534 -0.336626 3C 5s 0.667760 -0.162778 0.440261 0.852392 -0.002126 -3.564145 3C 1pz 0.037352 0.024627 0.066755 -0.026922 -0.016507 0.060653 3C 1px -0.065757 -0.070406 -0.105535 0.045401 0.061372 -0.005657 3C 1py -0.050409 -0.048322 -0.067660 0.055763 0.017962 -0.072866 3C 2pz 0.054065 0.288121 0.028691 -0.083294 -0.029270 0.516515 3C 2px 0.114296 -0.170499 -0.432836 0.145685 -0.029468 -0.008741 3C 2py 0.379527 0.135951 0.048975 -0.264089 0.057596 0.397670 3C 3pz 0.074235 -0.022207 0.148009 0.125076 -0.003673 -0.578287 3C 3px 0.016327 -0.081903 -0.240762 0.134219 0.023403 -0.316820 3C 3py -0.091717 -0.055406 -0.176983 -0.131619 0.054066 0.889538 3C 1dz2 0.005062 0.035131 0.014900 -0.030712 -0.010549 0.060076 3C 1dxz 0.043525 0.006296 -0.019590 -0.004611 0.005249 0.011862 3C 1dyz 0.004072 -0.025165 0.006172 0.027090 0.014127 -0.083275 3C 1dx2y2 0.038293 0.022627 -0.015640 -0.006094 0.013458 0.061451 3C 1dxy 0.004384 0.051108 0.058580 -0.042305 -0.015553 0.057642 3C 2dz2 0.163153 0.106033 0.032977 -0.051928 0.005658 -0.115339 3C 2dxz 0.014573 0.296651 0.518972 -0.201101 -0.266363 0.028085 3C 2dyz 0.139179 0.201019 0.156557 -0.226126 -0.096017 0.521468 3C 2dx2y2 -0.204422 -0.374242 -0.366473 0.163880 0.113593 -0.260679 3C 2dxy 0.110302 0.172308 0.439136 -0.063077 -0.074712 -0.348020 3C 1f0 -0.002697 -0.001649 0.005118 -0.008663 -0.011989 -0.028257 3C 1f+1 -0.045792 -0.051631 -0.105408 0.019824 0.022409 0.005930 3C 1f-1 -0.017706 -0.051555 -0.033900 0.036252 0.021311 -0.051249 3C 1f+2 -0.019562 -0.031645 -0.041691 0.009232 0.034228 0.009774 3C 1f-2 0.027431 0.052461 0.084856 -0.020309 -0.014866 -0.001494 3C 1f+3 0.008602 0.007962 0.041519 -0.008878 -0.011168 -0.010758 3C 1f-3 0.059663 0.037158 0.087165 -0.017928 -0.010923 -0.003126 4C 1s 0.002200 -0.001747 0.002172 0.004949 0.001046 -0.010765 4C 2s 0.007530 -0.007839 0.004449 0.013882 0.001589 -0.036916 4C 3s -0.097468 0.216400 0.042390 -0.097115 0.071074 0.916228 4C 4s 0.098307 -0.663403 -0.123215 0.277157 -0.450120 -3.484463 4C 5s -0.385456 -0.192489 -0.150678 0.015450 -0.085702 -1.502100 4C 1pz 0.003082 0.052204 0.031913 -0.028092 -0.029632 0.146652 4C 1px -0.033407 0.013474 0.023090 0.023598 0.040611 0.047805 4C 1py -0.009170 0.029344 0.019714 -0.023641 -0.013804 0.138544 4C 2pz -0.154432 -0.147952 -0.104745 0.344482 0.270581 -0.505092 4C 2px 0.622298 -0.205491 -0.455052 -0.991210 -0.423261 -0.400249 4C 2py 0.147900 -0.153314 -0.222867 -0.125183 0.027995 -0.586165 4C 3pz 0.493623 0.364763 -0.379954 -0.529484 -0.030648 2.848556 4C 3px 0.020447 -0.330402 -0.287148 -0.765506 -0.130108 0.376547 4C 3py 0.312238 0.001172 -0.392537 -0.700533 -0.085887 1.990658 4C 1dz2 0.003189 0.022708 -0.008068 0.006072 0.013187 0.001659 4C 1dxz 0.006727 -0.016042 0.006604 -0.001526 0.004376 -0.012417 4C 1dyz 0.014352 0.029669 0.008018 0.000648 0.026972 0.060236 4C 1dx2y2 -0.000055 -0.022623 -0.000750 -0.017950 -0.016226 0.014022 4C 1dxy 0.021061 -0.007926 -0.014033 0.010156 0.020835 0.032605 4C 2dz2 -0.194341 0.034834 0.306578 0.208506 -0.080708 -0.152769 4C 2dxz 0.209776 0.153127 0.057404 -0.019750 0.000001 -0.119123 4C 2dyz 0.027727 -0.089084 0.106417 0.005597 -0.090068 -0.410303 4C 2dx2y2 0.145414 -0.122685 -0.300977 -0.167066 0.033567 -0.163837 4C 2dxy 0.179674 -0.060700 -0.215549 -0.171664 -0.077209 -0.231154 4C 1f0 0.006946 0.003145 0.002881 -0.021318 0.005838 0.004085 4C 1f+1 -0.027135 0.046910 0.043129 0.069426 0.017844 0.054234 4C 1f-1 0.007715 -0.006290 -0.002450 -0.029783 -0.017401 0.054179 4C 1f+2 -0.014123 0.029013 0.025373 0.054235 0.019495 -0.053331 4C 1f-2 -0.022072 0.036918 0.026787 0.039882 0.005195 0.049480 4C 1f+3 -0.027981 0.021553 0.028160 0.048841 0.012580 0.027152 4C 1f-3 -0.019118 0.008077 0.010781 0.015058 0.006353 0.056272 5C 1s 0.000548 0.000616 -0.003923 -0.003910 -0.002076 0.013505 5C 2s 0.003204 0.004017 -0.010182 -0.014791 -0.007250 0.046151 5C 3s -0.206392 -0.105474 -0.034490 0.264767 0.065438 -1.002909 5C 4s 1.040973 0.274833 0.421742 -0.646991 0.137114 3.359095 5C 5s -0.100922 0.149884 0.112152 -0.138445 0.190789 1.197307 5C 1pz 0.026524 -0.001451 0.022334 0.037386 0.005523 -0.170453 5C 1px -0.021623 -0.023442 -0.008131 -0.007669 0.051415 -0.063595 5C 1py -0.028350 0.029760 -0.042092 -0.077035 -0.029191 0.272705 5C 2pz -0.203029 -0.065561 -0.390579 0.048429 0.114181 0.790493 5C 2px 0.418115 0.309355 1.001091 -0.343206 -0.580879 0.495720 5C 2py 0.156928 -0.063321 0.332430 0.084258 0.009715 -1.193822 5C 3pz 0.271968 0.056487 0.005627 0.352169 -0.012548 -1.576538 5C 3px -0.090735 0.394496 0.928723 -0.176868 -0.121811 -0.917179 5C 3py -0.257043 -0.062515 -0.332819 -0.627293 0.029022 2.780744 5C 1dz2 0.001289 -0.017731 0.021245 0.017814 0.011563 -0.015612 5C 1dxz -0.005547 -0.006347 -0.009074 0.003646 0.004322 -0.010706 5C 1dyz 0.022459 0.025018 0.035490 -0.010224 0.016465 0.041383 5C 1dx2y2 0.002533 0.029325 0.022630 -0.004352 0.006949 -0.041373 5C 1dxy 0.004753 -0.014519 0.002546 -0.015594 -0.000957 0.005686 5C 2dz2 -0.119725 -0.008099 -0.102934 0.060962 0.053661 -0.368139 5C 2dxz 0.122462 -0.040660 -0.114904 -0.052517 0.036555 -0.130992 5C 2dyz -0.097251 -0.131032 -0.039519 0.140794 -0.085229 -0.189751 5C 2dx2y2 0.196259 0.044820 0.118999 -0.040044 -0.199771 0.513669 5C 2dxy -0.098333 0.014467 -0.115151 0.164155 0.225821 -0.106652 5C 1f0 -0.001847 0.010792 0.011450 -0.020987 -0.015416 0.054772 5C 1f+1 0.003464 0.005159 -0.042789 0.011706 0.016011 -0.000533 5C 1f-1 -0.033210 -0.062017 -0.022251 0.039105 0.008000 -0.060409 5C 1f+2 -0.008080 -0.037051 -0.080731 0.018124 0.021960 0.044582 5C 1f-2 -0.008213 -0.003122 0.030519 -0.002859 -0.002961 0.036152 5C 1f+3 -0.025430 -0.036022 -0.060795 0.052414 0.031279 -0.101384 5C 1f-3 0.024260 -0.007106 -0.043424 -0.004018 0.008945 0.067124 6C 1s -0.000786 0.000201 -0.003939 -0.003844 0.000774 0.013713 6C 2s -0.004214 -0.001998 -0.010625 -0.014465 0.002581 0.046802 6C 3s 0.230754 0.117178 -0.014691 0.256262 0.044065 -1.003533 6C 4s -1.114543 -0.370623 0.356293 -0.615381 -0.510483 3.314184 6C 5s 0.094127 -0.180502 0.080382 -0.131512 -0.339964 1.173207 6C 1pz 0.023465 0.002622 -0.021198 -0.038026 -0.011697 0.171531 6C 1px -0.024369 -0.025343 0.002922 0.009319 0.043309 0.068156 6C 1py -0.023058 0.023418 0.045374 0.076847 -0.001491 -0.275864 6C 2pz -0.199748 -0.145123 0.363114 -0.039686 0.187162 -0.783016 6C 2px 0.449908 0.511562 -0.900019 0.327951 -0.537287 -0.543179 6C 2py 0.147666 0.001485 -0.332717 -0.091637 -0.096305 1.198466 6C 3pz 0.248993 0.056761 0.012755 -0.351144 -0.180195 1.584092 6C 3px -0.088512 0.581568 -0.827989 0.166199 -0.220282 0.902332 6C 3py -0.219611 -0.121326 0.299383 0.623008 0.324187 -2.780406 6C 1dz2 -0.001277 0.013226 0.023912 0.017409 -0.011635 -0.016164 6C 1dxz 0.006513 0.008522 -0.007946 0.002879 -0.002066 -0.010759 6C 1dyz -0.024491 -0.032480 0.030535 -0.008364 -0.023070 0.038877 6C 1dx2y2 -0.003062 -0.033892 0.016776 -0.002974 -0.003738 -0.041789 6C 1dxy -0.005263 0.013028 0.005948 -0.015734 -0.000129 0.005219 6C 2dz2 0.132703 0.034848 -0.098247 0.061152 -0.013673 -0.371705 6C 2dxz -0.118772 0.060196 -0.105637 -0.054178 -0.024799 -0.138190 6C 2dyz 0.101601 0.141100 -0.017315 0.131875 0.114215 -0.175460 6C 2dx2y2 -0.212152 -0.075780 0.103647 -0.043753 0.155619 0.532292 6C 2dxy 0.106502 0.012337 -0.110866 0.163495 -0.211043 -0.126941 6C 1f0 -0.000882 0.012864 -0.008514 0.020646 -0.010877 -0.056589 6C 1f+1 0.002400 -0.003670 0.042796 -0.011667 0.014958 0.002762 6C 1f-1 -0.035219 -0.066831 0.009898 -0.036744 0.002238 0.059294 6C 1f+2 -0.009133 -0.053449 0.071267 -0.016900 0.027270 -0.041936 6C 1f-2 -0.006823 0.002918 -0.030184 0.002614 0.001508 -0.037339 6C 1f+3 -0.029854 -0.050157 0.052201 -0.051388 0.020283 0.104079 6C 1f-3 0.024650 -0.015005 0.040573 0.004220 0.016982 -0.064823 7C 1s -0.001952 0.001277 0.002487 0.004946 0.000117 -0.010848 7C 2s -0.006560 0.006775 0.006009 0.013859 0.002679 -0.037062 7C 3s 0.078641 -0.221235 -0.003956 -0.093101 -0.184537 0.906373 7C 4s -0.039716 0.677662 0.026508 0.262921 0.871720 -3.420719 7C 5s 0.417218 0.225018 -0.094916 0.015050 0.247965 -1.490178 7C 1pz 0.008256 0.059224 -0.020830 0.025685 -0.007806 -0.148720 7C 1px -0.033247 0.016136 -0.020666 -0.021645 0.042856 -0.043799 7C 1py -0.005745 0.034164 -0.014351 0.022857 0.003217 -0.139534 7C 2pz -0.164341 -0.183505 0.075421 -0.324027 0.191664 0.525321 7C 2px 0.622856 -0.277330 0.418075 0.975206 -0.468984 0.356730 7C 2py 0.139028 -0.202392 0.196337 0.132104 -0.051056 0.582800 7C 3pz 0.538339 0.285187 0.446667 0.526037 0.253230 -2.818100 7C 3px 0.024376 -0.378199 0.216721 0.769895 -0.107498 -0.382707 7C 3py 0.341414 -0.067120 0.383235 0.701448 0.104692 -1.987675 7C 1dz2 -0.003212 -0.020640 -0.012819 0.006004 -0.012985 0.001174 7C 1dxz -0.007492 0.013661 0.009255 -0.002198 -0.003986 -0.012640 7C 1dyz -0.016263 -0.030584 0.000695 0.000919 -0.034335 0.057125 7C 1dx2y2 0.000711 0.021021 0.004367 -0.017998 0.015167 0.015135 7C 1dxy -0.021851 0.011017 -0.012379 0.009618 -0.024388 0.029472 7C 2dz2 0.195598 -0.100969 0.299797 0.211398 0.073054 -0.141745 7C 2dxz -0.205711 -0.163424 0.021399 -0.008248 0.006462 -0.120541 7C 2dyz -0.019802 0.057857 0.127906 0.011445 0.125511 -0.405149 7C 2dx2y2 -0.142090 0.188489 -0.277584 -0.176203 0.012472 -0.163754 7C 2dxy -0.174105 0.105610 -0.202540 -0.174339 0.122395 -0.225222 7C 1f0 0.008356 0.002027 -0.000518 0.022155 0.006913 -0.002408 7C 1f+1 -0.026549 0.053545 -0.032844 -0.070240 0.026662 -0.052181 7C 1f-1 0.009541 -0.005766 0.001244 0.029248 -0.009720 -0.054926 7C 1f+2 -0.014395 0.031510 -0.017829 -0.053973 0.014916 0.055008 7C 1f-2 -0.021785 0.040955 -0.019191 -0.040702 0.011415 -0.048676 7C 1f+3 -0.028232 0.026691 -0.024231 -0.049125 0.016180 -0.026263 7C 1f-3 -0.018440 0.010991 -0.010037 -0.015548 0.014170 -0.055715 8C 1s 0.001632 0.001545 -0.002083 0.000743 0.000057 -0.003665 8C 2s 0.005852 0.002510 -0.005678 0.001339 -0.000527 -0.009929 8C 3s -0.142313 -0.046416 0.107500 -0.064582 -0.028863 0.170468 8C 4s 0.558024 0.137617 -0.347143 0.274614 0.217339 -0.305657 8C 5s -0.624977 0.094451 0.441615 0.847324 0.398808 -3.573590 8C 1pz 0.040150 0.038583 -0.059853 0.025559 -0.009058 -0.061936 8C 1px -0.067627 -0.090499 0.086325 -0.043647 0.063395 0.011382 8C 1py -0.055485 -0.064287 0.057488 -0.053117 0.006744 0.073150 8C 2pz 0.063628 0.294428 0.028399 0.078840 0.008064 -0.512966 8C 2px 0.102194 -0.258669 0.393537 -0.135054 -0.037717 0.014447 8C 2py 0.393777 0.153338 -0.021849 0.250204 0.118958 -0.374049 8C 3pz 0.066645 0.004003 -0.145166 -0.123198 -0.068606 0.576109 8C 3px 0.008006 -0.128795 0.218200 -0.128490 -0.011728 0.318249 8C 3py -0.082357 -0.087930 0.158561 0.132918 0.151683 -0.885879 8C 1dz2 -0.007745 -0.038830 0.008556 -0.029503 0.004226 0.060315 8C 1dxz -0.043089 -0.002247 -0.021333 -0.004351 -0.006315 0.009462 8C 1dyz -0.002335 0.024390 0.010941 0.026754 -0.006766 -0.084326 8C 1dx2y2 -0.039360 -0.019678 -0.019290 -0.004552 -0.020682 0.057367 8C 1dxy -0.007948 -0.064318 0.047735 -0.040829 0.009577 0.059833 8C 2dz2 -0.160966 -0.121300 0.018909 -0.052001 0.010973 -0.118073 8C 2dxz -0.024624 -0.396169 0.444451 -0.190591 0.268856 0.058842 8C 2dyz -0.158469 -0.242138 0.118901 -0.219986 0.042351 0.525233 8C 2dx2y2 0.217724 0.450656 -0.288339 0.151870 -0.094513 -0.260324 8C 2dxy -0.106949 -0.245510 0.384178 -0.047843 0.103512 -0.347418 8C 1f0 -0.002851 -0.002108 -0.003459 0.007738 -0.012953 0.027367 8C 1f+1 -0.047198 -0.071742 0.091157 -0.017691 0.024082 -0.004825 8C 1f-1 -0.020109 -0.058354 0.022833 -0.033964 0.015031 0.052092 8C 1f+2 -0.019881 -0.039112 0.033175 -0.008880 0.037828 -0.005918 8C 1f-2 0.029064 0.069240 -0.071730 0.018092 -0.013915 -0.000386 8C 1f+3 0.008482 0.014632 -0.036457 0.007865 -0.011044 0.010003 8C 1f-3 0.060885 0.054632 -0.077089 0.016424 -0.012668 0.003522 9C 1s 0.000019 -0.002608 0.001144 0.001758 -0.001445 0.002984 9C 2s 0.001748 -0.005881 0.003984 0.005013 -0.003084 0.007361 9C 3s -0.008256 0.077270 -0.026261 -0.047234 0.111871 -0.226141 9C 4s -0.071827 -0.116549 -0.208385 -0.016162 -0.516681 0.983731 9C 5s -0.733361 -0.418876 -0.459889 -0.757836 -0.323914 3.745741 9C 1pz 0.035972 -0.070513 0.034507 0.065187 -0.054131 0.077629 9C 1px -0.123266 0.056091 -0.035643 -0.088332 0.022498 -0.007315 9C 1py -0.032898 -0.011543 0.008727 -0.006136 -0.027196 0.060077 9C 2pz -0.012922 0.002201 0.144499 0.070894 0.268716 -0.486735 9C 2px 0.074851 0.359138 -0.101126 -0.351367 0.116749 -0.205729 9C 2py 0.077414 -0.131783 0.219566 0.121410 0.066463 -0.395673 9C 3pz 0.192337 0.012410 0.132276 0.315422 0.055274 -0.959169 9C 3px 0.021222 0.095939 -0.027025 -0.159497 0.064658 -0.175011 9C 3py 0.095986 0.072823 0.087117 0.084002 0.083860 -0.618525 9C 1dz2 -0.009688 -0.010310 -0.000367 -0.002497 -0.025772 -0.002246 9C 1dxz 0.006591 -0.077233 0.046782 0.064215 -0.016568 0.023271 9C 1dyz 0.000750 -0.006187 -0.005321 0.004171 -0.018289 0.001001 9C 1dx2y2 0.027175 -0.007928 0.002133 0.018214 -0.010864 0.004672 9C 1dxy 0.003904 -0.024711 0.007301 0.026477 0.001243 0.029541 9C 2dz2 -0.158486 0.187015 -0.067352 -0.252698 0.164860 0.008680 9C 2dxz -0.065620 0.242199 -0.246637 -0.164286 -0.019165 -0.059699 9C 2dyz 0.198326 -0.203470 0.058464 0.233952 -0.168988 0.303892 9C 2dx2y2 0.360928 -0.395983 0.168123 0.528540 -0.150308 0.052031 9C 2dxy 0.070900 -0.144826 0.007213 0.190001 -0.172962 -0.059431 9C 1f0 -0.034911 0.038208 -0.009513 -0.066277 0.031491 -0.009492 9C 1f+1 -0.040497 0.045853 -0.019189 -0.046298 0.020266 -0.005172 9C 1f-1 0.055142 -0.039189 0.022276 0.061036 -0.008697 -0.000539 9C 1f+2 0.026127 -0.030066 0.003274 0.046401 -0.027933 0.023141 9C 1f-2 0.008687 0.037621 0.000243 -0.002954 0.015933 -0.027022 9C 1f+3 -0.038489 0.005284 0.001725 -0.023369 -0.007050 0.020343 9C 1f-3 -0.063791 0.032873 -0.014796 -0.068276 0.020228 -0.001156 10H 1s -0.171220 0.111231 0.030810 0.183203 0.099329 0.046836 10H 2s 0.483502 -0.705599 -0.492110 -0.890363 -0.272989 -0.364305 10H 3s -0.198754 0.077299 0.059917 0.153373 0.071639 -0.021300 10H 1pz 0.228198 -0.251400 -0.129248 -0.367555 -0.180974 -0.100715 10H 1px -0.017968 0.084095 0.119469 0.073739 -0.045260 0.069221 10H 1py 0.041952 -0.101776 -0.034303 -0.157891 -0.076305 0.054001 11H 1s 0.074100 0.021134 0.016058 -0.034788 -0.004125 0.010630 11H 2s -0.250133 0.251165 0.276204 0.377467 0.084824 0.005767 11H 3s 0.060933 -0.091974 -0.014124 -0.065344 -0.028183 -0.188019 11H 1pz 0.099451 -0.038929 -0.002709 -0.060558 -0.059181 -0.081595 11H 1px -0.321507 0.277899 0.173897 0.382222 0.167939 0.105487 11H 1py -0.166121 0.088652 0.018483 0.163733 0.085410 0.000292 12H 1s 0.158198 -0.070110 -0.044286 -0.144299 -0.056364 0.009870 12H 2s -0.352767 0.128176 0.063136 0.370264 -0.031186 0.028517 12H 3s 0.087115 -0.086051 -0.031968 -0.067898 -0.002645 -0.157056 12H 1pz -0.111292 0.077315 0.032396 0.116588 0.110862 0.096523 12H 1px -0.300521 0.227663 0.112768 0.351955 0.136240 0.047040 12H 1py 0.015339 -0.028772 -0.030439 -0.014199 -0.061956 0.029237 13H 1s -0.156655 -0.155122 -0.265949 0.058479 0.046360 0.052176 13H 2s 0.324562 0.730960 1.058228 -0.442714 -0.273772 0.527311 13H 3s -0.201268 -0.124718 -0.197905 0.033588 0.037631 0.020348 13H 1pz 0.076111 0.149772 0.180733 -0.093286 -0.034914 0.033899 13H 1px 0.025249 -0.038851 -0.069436 0.067063 0.031542 -0.272632 13H 1py -0.149223 -0.287358 -0.473016 0.143087 0.127937 0.051008 14H 1s 0.144949 0.126469 0.188274 -0.073171 -0.063807 0.011991 14H 2s 0.017011 -0.184955 -0.666002 0.124121 0.255391 0.391506 14H 3s -0.007594 0.103317 0.096938 -0.111573 -0.066423 0.084029 14H 1pz 0.161707 0.149074 0.099441 -0.085992 -0.067791 0.002681 14H 1px -0.054300 -0.183931 -0.357426 0.108243 0.146487 0.146855 14H 1py 0.108241 0.171468 0.267757 -0.080684 -0.092643 0.048483 15H 1s 0.029316 -0.020835 0.045609 0.037060 -0.005116 -0.105772 15H 2s -0.305521 -0.294596 -0.134636 0.169464 0.060791 -0.576490 15H 3s -0.041870 0.125763 0.023779 -0.118740 -0.056618 0.220027 15H 1pz 0.038251 0.087530 0.064168 -0.058423 -0.021098 0.237321 15H 1px -0.227670 -0.359953 -0.497010 0.199434 0.206135 -0.019353 15H 1py 0.033226 0.005467 -0.110637 0.000103 0.044485 0.122043 16H 1s 0.053022 -0.078976 -0.019461 -0.036294 0.227628 -0.084786 16H 2s -0.177415 0.159465 -0.004779 0.083848 -0.786168 0.141468 16H 3s -0.100192 -0.130229 -0.071149 -0.172088 0.085316 -0.166135 16H 1pz -0.138445 0.004957 -0.075219 0.004128 -0.328876 0.004885 16H 1px -0.190154 -0.075296 -0.106860 -0.144057 -0.264063 -0.113689 16H 1py 0.227859 0.044736 0.099265 0.157207 0.278463 0.083980 17H 1s 0.011015 0.099419 -0.005523 0.098808 0.204246 0.117495 17H 2s -0.098087 -0.240657 -0.069703 -0.461804 -0.789906 -0.366146 17H 3s -0.145562 0.110614 -0.067554 0.106370 0.062317 0.119130 17H 1pz 0.265875 0.050970 0.121831 0.290207 0.477569 0.114141 17H 1px -0.063571 0.044822 -0.004094 0.059542 0.033920 0.071506 17H 1py 0.185758 0.012486 0.050793 0.012233 0.186222 -0.026494 18H 1s -0.011048 -0.089794 -0.023152 0.097662 -0.211887 0.092777 18H 2s 0.097034 0.231419 -0.024364 -0.466817 0.820286 -0.276802 18H 3s 0.146454 -0.089877 -0.082564 0.103083 -0.077123 0.111487 18H 1pz 0.262635 0.064671 -0.103895 -0.299549 0.477110 -0.060595 18H 1px -0.068192 0.042314 0.012196 -0.058263 0.042911 -0.068035 18H 1py 0.192653 0.018710 -0.045950 -0.017214 0.182225 0.048727 19H 1s -0.054280 0.083261 -0.001834 -0.038818 -0.210072 -0.108356 19H 2s 0.181003 -0.163979 -0.032009 0.086132 0.733084 0.225785 19H 3s 0.100127 0.140459 -0.039994 -0.177794 -0.058946 -0.170682 19H 1pz -0.145291 -0.007841 0.069362 0.003652 -0.318225 -0.040459 19H 1px -0.191721 -0.088237 0.084724 0.150903 -0.267214 0.081926 19H 1py 0.226110 0.056332 -0.086960 -0.158833 0.274900 -0.050360 20H 1s -0.025258 0.013683 0.046956 0.035606 0.020543 -0.103816 20H 2s 0.316156 0.324747 -0.072544 0.163050 -0.017491 -0.570993 20H 3s 0.038895 -0.133251 -0.000022 -0.116105 0.034105 0.225204 20H 1pz 0.043387 0.097859 -0.042170 0.054221 0.003849 -0.236688 20H 1px -0.238502 -0.457018 0.408100 -0.186484 0.206997 0.038148 20H 1py 0.030731 -0.016034 0.108201 0.001040 0.052959 -0.114764 21H 1s -0.149642 -0.162177 0.154117 -0.067661 0.063161 0.014198 21H 2s -0.011119 0.307943 -0.601588 0.115277 -0.300485 0.356095 21H 3s 0.004306 -0.125056 0.073381 -0.109726 0.056628 0.092794 21H 1pz 0.164233 0.171685 -0.067628 0.081919 -0.068845 -0.006890 21H 1px -0.059512 -0.254685 0.310348 -0.102723 0.166033 -0.129151 21H 1py 0.113679 0.219786 -0.222256 0.072036 -0.087376 -0.055031 22H 1s 0.158871 0.206168 -0.224934 0.052010 -0.052699 0.050589 22H 2s -0.358580 -0.945568 0.886799 -0.415640 0.224371 0.549852 22H 3s 0.205883 0.162826 -0.165315 0.028009 -0.043475 0.020977 22H 1pz 0.080670 0.187973 -0.148301 0.088260 -0.033666 -0.034858 22H 1px 0.016322 -0.053689 0.059022 -0.066169 0.003421 0.277070 22H 1py -0.157546 -0.378965 0.401416 -0.130452 0.132392 -0.040456 23H 1s -0.156875 0.071638 -0.029812 -0.140359 0.054825 0.015339 23H 2s 0.361564 -0.135810 0.052055 0.368271 0.035188 0.038648 23H 3s -0.083494 0.090638 -0.015506 -0.066724 0.017744 -0.161682 23H 1pz -0.106458 0.074830 -0.016431 -0.110350 0.117885 -0.082456 23H 1px -0.310315 0.244191 -0.072354 -0.355562 0.142316 -0.041371 23H 1py 0.012426 -0.030628 0.020152 0.011078 -0.060554 -0.034537 24H 1s -0.083351 -0.021503 0.007547 -0.037068 -0.000609 0.009721 24H 2s 0.260726 -0.295093 0.218349 0.388785 -0.102572 -0.005449 24H 3s -0.059275 0.092348 0.003857 -0.066245 0.046993 -0.186344 24H 1pz 0.096999 -0.038366 -0.001368 0.058855 -0.067073 0.076696 24H 1px -0.320029 0.298469 -0.117945 -0.380737 0.182907 -0.090121 24H 1py -0.174800 0.092174 -0.006052 -0.166310 0.082488 0.001951 25H 1s 0.175050 -0.111657 0.009723 0.181270 -0.100533 0.039304 25H 2s -0.485789 0.782740 -0.346655 -0.902291 0.338501 -0.345738 25H 3s 0.203469 -0.084227 0.043362 0.152678 -0.072928 -0.023891 25H 1pz 0.228184 -0.264588 0.079259 0.366495 -0.191620 0.085173 25H 1px -0.015333 0.108455 -0.100314 -0.078832 -0.024889 -0.073042 25H 1py 0.051539 -0.104938 0.012850 0.161388 -0.068961 -0.057193 26O 1s 0.002298 -0.004393 -0.003672 -0.005547 0.000640 0.001468 26O 2s 0.003588 -0.011141 -0.008595 -0.012653 0.003862 0.008877 26O 3s 0.054709 0.003443 -0.014930 -0.017346 -0.051128 -0.141287 26O 4s -0.514519 0.365568 0.341281 0.426108 0.164613 0.535776 26O 5s 0.112395 -0.271071 0.610647 0.587657 0.255535 0.320667 26O 1pz -0.024660 -0.039138 -0.060055 -0.023233 -0.009330 0.037403 26O 1px 0.025912 -0.010006 -0.002032 -0.027567 -0.010362 -0.021129 26O 1py 0.004980 -0.036589 -0.036491 -0.058779 -0.036696 -0.019455 26O 2pz 0.062518 0.010422 0.036706 -0.000254 -0.008699 -0.037452 26O 2px 0.162467 -0.120591 -0.192695 -0.154959 -0.037992 -0.255936 26O 2py 0.112163 -0.027578 -0.057274 -0.014816 0.035134 -0.078389 26O 3pz 0.120070 -0.531470 -0.169932 -0.356869 -0.106641 -0.091057 26O 3px 0.290771 -0.094366 -0.270776 -0.498176 -0.356980 -0.520433 26O 3py 0.162416 -0.323214 -0.076275 -0.482478 -0.279941 -0.302917 26O 1dz2 0.002242 -0.003109 -0.002233 -0.008985 -0.001282 -0.000223 26O 1dxz 0.003204 -0.002332 -0.003099 -0.007143 -0.001508 -0.007758 26O 1dyz 0.003437 -0.005852 -0.005502 -0.014478 -0.007225 -0.003696 26O 1dx2y2 0.000397 0.000759 0.001962 0.007758 0.005070 0.004730 26O 1dxy 0.003177 -0.003259 -0.002317 -0.004204 -0.001443 -0.001740 26O 2dz2 0.117300 -0.113966 -0.059701 -0.155851 -0.026290 -0.049226 26O 2dxz 0.062996 0.022629 0.088669 0.090516 0.005084 -0.115492 26O 2dyz 0.120520 -0.131638 0.022213 -0.090583 -0.076030 -0.003903 26O 2dx2y2 -0.034640 0.031838 -0.005263 0.094673 0.085271 0.136516 26O 2dxy 0.001448 -0.018641 0.051331 0.100523 0.014855 0.092437 26O 1f0 -0.002210 0.001230 0.000889 0.001924 -0.001291 0.005658 26O 1f+1 -0.004548 0.003978 0.003104 0.004972 0.003856 0.015758 26O 1f-1 0.001328 -0.000508 0.004350 0.004077 -0.001254 0.008580 26O 1f+2 -0.002333 -0.001409 -0.001568 -0.005792 -0.001705 -0.003973 26O 1f-2 0.003052 0.000496 0.000996 0.002412 0.002175 -0.004920 26O 1f+3 -0.000165 0.002879 0.000619 0.003354 0.003213 0.006898 26O 1f-3 -0.006812 0.006308 0.007942 0.006935 0.003656 0.017893 27O 1s 0.002434 0.002530 0.003588 -0.001786 -0.001742 0.000738 27O 2s 0.005543 0.004851 0.005954 -0.002221 -0.002953 -0.001960 27O 3s 0.012518 0.029001 0.059567 -0.050403 -0.042948 0.115613 27O 4s -0.214401 -0.360464 -0.438544 0.349097 0.439880 -0.646332 27O 5s -0.504359 0.274118 -0.660067 -0.126580 -0.220880 -0.618435 27O 1pz -0.035830 0.019302 0.054886 -0.002605 -0.037984 0.026175 27O 1px 0.017949 0.041124 0.065128 -0.030536 -0.004310 0.014140 27O 1py 0.019720 -0.023846 -0.018676 0.025300 0.012149 -0.012123 27O 2pz 0.033254 -0.015336 -0.061068 0.018804 0.030581 -0.065595 27O 2px 0.130465 0.063349 0.106498 -0.099558 -0.174357 0.415264 27O 2py -0.075404 -0.015409 -0.012985 -0.024309 0.029256 -0.076039 27O 3pz -0.168952 0.252202 0.308511 0.004192 -0.140087 -0.101547 27O 3px 0.431413 0.208752 0.834430 -0.186115 -0.287506 0.356644 27O 3py -0.064165 -0.436150 -0.505550 0.210040 0.174408 -0.033530 27O 1dz2 -0.000551 -0.002137 -0.000277 0.000840 0.001961 -0.002063 27O 1dxz 0.003579 0.003051 0.010003 -0.004366 -0.000888 0.002903 27O 1dyz -0.002633 -0.007463 -0.013445 0.004303 0.000541 0.004656 27O 1dx2y2 -0.001747 -0.001490 -0.010266 0.003657 0.000877 0.000818 27O 1dxy -0.002852 -0.005174 -0.011814 0.006109 0.003077 -0.002442 27O 2dz2 0.029139 -0.037683 0.110750 0.000949 0.030790 0.044139 27O 2dxz 0.094427 0.036561 -0.039837 -0.037895 0.010485 0.048955 27O 2dyz -0.030409 -0.168835 -0.131825 0.018111 0.049333 0.104144 27O 2dx2y2 -0.087728 -0.105567 -0.206244 0.094579 0.070510 -0.071429 27O 2dxy 0.034433 -0.056092 0.065961 0.021735 0.074084 0.066595 27O 1f0 -0.001010 0.000040 0.000801 -0.001934 0.000467 0.005972 27O 1f+1 -0.005990 -0.005635 -0.004630 0.007632 0.006380 -0.018816 27O 1f-1 -0.000040 -0.000876 -0.000549 -0.000513 0.001577 0.006772 27O 1f+2 -0.003747 -0.001061 0.000228 -0.003071 0.002919 0.000577 27O 1f-2 0.000185 0.001437 0.004103 -0.003327 0.001383 0.000633 27O 1f+3 -0.002924 -0.002220 -0.009481 0.007054 0.004762 -0.013901 27O 1f-3 0.000250 0.002152 0.006718 -0.005141 -0.004255 0.015156 28O 1s -0.004813 -0.000982 -0.000350 0.001997 -0.000578 0.004149 28O 2s -0.013212 -0.003246 -0.002093 0.003428 -0.002402 0.014266 28O 3s 0.032669 0.018740 0.024366 0.029385 0.029255 -0.115788 28O 4s 0.229980 -0.064321 -0.096843 -0.205335 -0.134663 0.234940 28O 5s -0.106998 0.444796 0.407877 -0.294103 0.026835 0.090683 28O 1pz -0.009112 0.041060 0.005129 0.044445 0.010668 0.005464 28O 1px 0.023510 0.003637 -0.028668 -0.005904 0.026131 0.011896 28O 1py -0.008779 0.028794 -0.030729 0.017771 0.029976 0.055462 28O 2pz -0.019891 -0.105612 -0.077945 -0.038212 0.036381 -0.138147 28O 2px 0.073718 0.040001 0.031770 -0.077188 -0.051047 0.126628 28O 2py 0.008915 -0.052050 -0.001766 -0.046620 -0.023951 -0.077478 28O 3pz -0.459308 0.429167 0.397341 0.671370 0.256691 0.044387 28O 3px 0.176371 0.198781 -0.091963 -0.395221 -0.098640 0.226851 28O 3py -0.235805 0.395600 0.124213 0.365924 0.070522 0.098734 28O 1dz2 -0.004489 -0.000413 0.004096 0.008732 -0.001579 0.000485 28O 1dxz -0.001366 0.001610 0.000679 0.001420 -0.000887 0.001098 28O 1dyz -0.005250 0.004424 0.005685 0.010468 0.000915 0.007763 28O 1dx2y2 0.001547 -0.001145 -0.003621 -0.006092 -0.001412 -0.000853 28O 1dxy -0.000604 0.002242 0.000333 -0.001234 -0.001256 0.002703 28O 2dz2 -0.105057 0.019434 0.110062 0.001853 -0.036027 -0.016858 28O 2dxz -0.102536 0.032303 0.050330 0.118877 -0.001779 -0.019848 28O 2dyz -0.127310 0.151896 0.132428 0.074784 0.033144 0.075362 28O 2dx2y2 0.077949 -0.012951 -0.093956 -0.096614 0.000305 0.111388 28O 2dxy -0.062519 0.093823 0.005869 0.063172 0.001560 0.112096 28O 1f0 0.004155 0.000857 -0.002476 -0.004521 -0.000573 0.005261 28O 1f+1 0.001318 -0.001385 -0.000614 -0.009350 -0.003014 0.010037 28O 1f-1 -0.000238 -0.001521 -0.004542 -0.006100 0.004220 -0.007138 28O 1f+2 -0.002618 -0.001001 0.002471 0.010456 0.003134 -0.011566 28O 1f-2 0.001621 -0.002568 -0.003722 -0.005084 -0.000432 0.001606 28O 1f+3 -0.002735 -0.004542 -0.001707 -0.000555 0.001017 -0.004036 28O 1f-3 -0.000943 0.000471 -0.001017 0.001018 -0.000401 -0.000111 29O 1s 0.008623 0.001122 -0.000790 0.003371 0.009293 -0.000024 29O 2s 0.028010 0.003758 -0.001933 0.011825 0.033944 0.000395 29O 3s -0.163875 -0.025615 -0.000542 -0.091056 -0.298052 -0.017717 29O 4s 0.167082 0.034291 0.021988 0.129977 0.641421 0.050596 29O 5s 0.314241 0.066243 0.110437 0.292804 0.237235 0.104247 29O 1pz -0.023871 -0.117522 -0.041878 -0.070310 0.038554 -0.146592 29O 1px 0.123037 -0.029691 0.057360 0.031453 -0.047124 -0.080844 29O 1py -0.087490 -0.005251 -0.059060 -0.057291 -0.047901 -0.002988 29O 2pz 0.010958 0.219588 0.061896 0.257758 -0.111594 0.312389 29O 2px -0.144157 0.075820 -0.058243 0.079985 0.215157 0.193188 29O 2py 0.079101 -0.014418 0.041304 -0.007494 -0.143934 -0.046442 29O 3pz -0.120826 -0.078378 -0.069934 -0.040067 -0.107945 -0.123542 29O 3px 0.277507 0.002150 0.160132 0.107282 0.243103 -0.016698 29O 3py -0.321501 -0.046450 -0.072886 -0.221224 -0.543174 -0.073804 29O 1dz2 0.000083 0.000129 0.000260 0.001803 -0.000555 0.001235 29O 1dxz 0.001088 -0.000181 0.000572 -0.002070 -0.000508 -0.002533 29O 1dyz 0.000912 0.000818 0.000927 0.005331 0.000163 0.004742 29O 1dx2y2 -0.003538 -0.000051 -0.003184 -0.001768 -0.001272 0.001340 29O 1dxy -0.001360 -0.000079 -0.000065 0.001809 0.001262 0.002959 29O 2dz2 -0.271201 -0.022191 -0.100215 -0.177929 -0.414434 -0.050816 29O 2dxz -0.131718 -0.064925 -0.057271 -0.107273 -0.268503 -0.090271 29O 2dyz 0.140702 0.025002 0.070386 0.052010 0.172573 0.057404 29O 2dx2y2 -0.182858 -0.033770 -0.076057 -0.056431 -0.126064 -0.001626 29O 2dxy -0.203395 -0.033045 -0.115557 -0.153016 -0.261400 -0.051474 29O 1f0 -0.006435 -0.000268 -0.002494 -0.004522 -0.025356 -0.002121 29O 1f+1 0.003864 0.000417 0.001478 0.004926 0.011049 0.001916 29O 1f-1 -0.005217 0.004660 -0.000153 0.001925 -0.028365 0.003524 29O 1f+2 0.002245 -0.000721 0.001227 -0.002031 0.003858 -0.003600 29O 1f-2 -0.002715 -0.010971 -0.002802 -0.018024 -0.023130 -0.013712 29O 1f+3 -0.001839 0.001613 0.000386 0.002271 -0.006073 0.000480 29O 1f-3 -0.003530 0.004966 -0.001816 0.005068 0.001488 0.003806 30O 1s -0.001249 -0.002293 -0.003649 0.002899 -0.000771 -0.001239 30O 2s -0.002709 -0.006946 -0.008676 0.008585 -0.003679 -0.005700 30O 3s -0.004043 0.024753 0.000872 -0.039220 0.045721 0.089244 30O 4s 0.131665 0.114124 0.194364 -0.012367 -0.193528 -0.326037 30O 5s -0.286714 -0.397212 0.165095 -0.085628 -0.240168 -0.688681 30O 1pz 0.030403 -0.031489 -0.070471 0.012436 0.017579 0.027539 30O 1px 0.022846 -0.027034 -0.011549 0.002590 -0.005576 0.044794 30O 1py 0.002398 0.021859 0.018488 -0.029595 -0.022632 0.023338 30O 2pz -0.039345 0.027467 0.039431 -0.042228 0.015876 0.175286 30O 2px 0.003328 0.035881 0.075742 0.001192 -0.049189 -0.245986 30O 2py 0.017397 -0.027269 -0.003379 0.088484 0.028989 -0.278585 30O 3pz 0.016772 -0.317735 -0.531718 0.338756 0.390420 -0.083607 30O 3px 0.061507 -0.301469 0.136673 -0.045933 -0.251144 -0.237652 30O 3py -0.064463 0.513426 0.615808 -0.551547 -0.464224 0.140514 30O 1dz2 -0.002366 -0.000284 -0.002582 0.000353 -0.001651 0.002369 30O 1dxz -0.000343 -0.001333 -0.002985 0.005378 0.002031 -0.004950 30O 1dyz 0.002626 0.002659 0.011138 -0.004574 -0.003432 0.004245 30O 1dx2y2 -0.000262 -0.000644 0.008554 -0.003045 -0.004242 0.001925 30O 1dxy -0.000874 0.002567 0.003950 -0.005433 -0.002672 0.007374 30O 2dz2 -0.060077 0.054696 0.044431 -0.039739 -0.063334 0.031858 30O 2dxz -0.023006 -0.070448 -0.118914 0.095315 0.098679 -0.044054 30O 2dyz 0.079247 0.114708 0.033495 -0.010725 -0.062526 0.181400 30O 2dx2y2 0.007944 -0.020605 0.026612 0.020680 -0.107449 0.032576 30O 2dxy 0.002099 0.104308 0.137186 -0.120823 -0.089680 0.064615 30O 1f0 0.001180 -0.001067 0.000054 0.006710 -0.000060 -0.018898 30O 1f+1 -0.000972 0.000032 -0.000316 -0.001039 0.000649 -0.000521 30O 1f-1 0.001550 0.003144 0.002548 -0.001584 -0.001073 -0.002741 30O 1f+2 0.003676 0.003244 -0.003670 0.002563 0.003650 -0.000046 30O 1f-2 -0.002935 -0.002661 -0.010482 0.000579 0.001362 0.016423 30O 1f+3 -0.001649 0.000687 0.008852 -0.000927 0.000363 -0.003951 30O 1f-3 -0.001589 -0.001049 -0.003735 -0.001507 0.003269 0.007470 31O 1s 0.001405 0.003041 -0.003004 0.002834 0.000987 -0.001104 31O 2s 0.003189 0.008740 -0.006838 0.008399 0.004633 -0.005132 31O 3s 0.001188 -0.025586 -0.004056 -0.038719 -0.058215 0.083287 31O 4s -0.129747 -0.150756 0.159389 -0.009046 0.232244 -0.304345 31O 5s 0.297568 0.366242 0.240785 -0.092338 0.317229 -0.665457 31O 1pz 0.030512 -0.043463 0.062331 -0.010608 0.020673 -0.023823 31O 1px 0.024778 -0.028347 0.006636 -0.001179 -0.001570 -0.044904 31O 1py 0.002487 0.026353 -0.014450 0.029572 -0.023164 -0.026016 31O 2pz -0.035558 0.035872 -0.035117 0.040850 0.033834 -0.176514 31O 2px -0.000910 0.049256 -0.064853 -0.002417 -0.075937 0.240325 31O 2py 0.012082 -0.031892 0.001236 -0.089171 0.004845 0.282837 31O 3pz -0.004927 -0.430585 0.455322 -0.327793 0.373799 0.125546 31O 3px 0.064140 -0.267801 -0.187174 0.051953 -0.277362 0.213332 31O 3py -0.037836 0.646121 -0.500418 0.538754 -0.447724 -0.195034 31O 1dz2 0.002383 0.000744 -0.002403 0.000278 0.001405 0.002606 31O 1dxz 0.000581 0.001996 -0.002636 0.005312 -0.001656 -0.005153 31O 1dyz -0.003005 -0.004975 0.010202 -0.004433 0.003061 0.004645 31O 1dx2y2 0.000016 -0.001237 0.008397 -0.003093 0.004296 0.002420 31O 1dxy 0.000595 -0.003422 0.003367 -0.005337 0.001960 0.007715 31O 2dz2 0.058929 -0.062318 0.033290 -0.037956 0.059410 0.039818 31O 2dxz 0.029119 0.094589 -0.100787 0.092801 -0.094404 -0.053487 31O 2dyz -0.086613 -0.122445 0.008818 -0.007960 0.039883 0.187959 31O 2dx2y2 -0.012529 0.013934 0.027826 0.018453 0.104526 0.045487 31O 2dxy -0.009410 -0.133307 0.112910 -0.118119 0.082468 0.074733 31O 1f0 0.000723 -0.001383 -0.000058 -0.006729 -0.002075 0.018918 31O 1f+1 -0.001005 -0.000113 0.000290 0.001004 0.000403 0.000590 31O 1f-1 0.001518 0.003575 -0.001849 0.001419 -0.001420 0.002733 31O 1f+2 0.003602 0.002363 0.004212 -0.002757 0.003781 0.000572 31O 1f-2 -0.002885 -0.004843 0.009658 -0.000446 0.003211 -0.016284 31O 1f+3 -0.001469 0.002549 -0.008549 0.000830 -0.000022 0.003815 31O 1f-3 -0.001436 -0.001742 0.003294 0.001495 0.004312 -0.007157 32O 1s -0.008730 -0.000450 -0.000837 0.003124 -0.008819 -0.001284 32O 2s -0.028343 -0.001672 -0.002165 0.011077 -0.032386 -0.004112 32O 3s 0.165449 0.015029 0.002928 -0.088134 0.288354 0.019360 32O 4s -0.167867 -0.025635 0.014430 0.129001 -0.628191 -0.024210 32O 5s -0.314079 -0.073742 0.085613 0.306612 -0.232472 0.077050 32O 1pz -0.021465 -0.120042 0.012188 0.070066 0.023791 0.146490 32O 1px 0.122884 -0.016723 -0.058684 -0.036969 -0.052941 0.074899 32O 1py -0.085971 -0.019434 0.052911 0.063206 -0.046820 0.000946 32O 2pz 0.008285 0.222906 -0.016261 -0.262176 -0.059151 -0.318962 32O 2px -0.143915 0.058380 0.067364 -0.076319 0.233351 -0.168263 32O 2py 0.077197 0.001730 -0.040549 -0.001287 -0.145888 0.023297 32O 3pz -0.114810 -0.086091 0.045763 0.037841 -0.102987 0.104261 32O 3px 0.280294 0.033596 -0.150026 -0.116068 0.245202 0.044944 32O 3py -0.321803 -0.049491 0.057139 0.228627 -0.534015 0.013521 32O 1dz2 -0.000076 -0.000162 0.000386 0.001501 0.000221 0.001220 32O 1dxz -0.001106 0.000061 0.000585 -0.002256 0.000886 -0.002554 32O 1dyz -0.000902 -0.000949 0.000793 0.005443 -0.001005 0.004686 32O 1dx2y2 0.003515 0.000647 -0.003055 -0.001973 0.001282 0.001489 32O 1dxy 0.001378 0.000089 -0.000030 0.001741 -0.001646 0.002798 32O 2dz2 0.280473 0.034836 -0.094262 -0.185202 0.417469 -0.003536 32O 2dxz 0.127246 0.066532 -0.037089 -0.104659 0.257945 -0.057769 32O 2dyz -0.126646 -0.031684 0.054755 0.044671 -0.148785 0.034845 32O 2dx2y2 0.182154 0.043999 -0.063889 -0.055503 0.120979 0.016217 32O 2dxy 0.210690 0.052522 -0.103924 -0.162327 0.268813 -0.022082 32O 1f0 -0.006125 -0.000635 0.002173 0.004649 -0.023243 -0.000298 32O 1f+1 0.004131 0.000847 -0.001478 -0.005709 0.012487 -0.001051 32O 1f-1 -0.005531 0.004643 0.000852 -0.001450 -0.027986 -0.006409 32O 1f+2 0.002323 -0.000426 -0.001155 0.001727 0.004499 0.004008 32O 1f-2 -0.002292 -0.010794 0.000641 0.018375 -0.023650 0.011227 32O 1f+3 -0.001937 0.001323 -0.000097 -0.001724 -0.006278 -0.000636 32O 1f-3 -0.003804 0.004353 0.002621 -0.005099 0.001682 -0.003693 33O 1s 0.004741 0.001051 -0.000059 0.001866 0.000113 0.004275 33O 2s 0.012906 0.003620 -0.001182 0.003032 0.000789 0.014708 33O 3s -0.029787 -0.022562 0.019760 0.030670 -0.015676 -0.119124 33O 4s -0.233965 0.079789 -0.086059 -0.201615 0.110303 0.243232 33O 5s 0.092005 -0.540741 0.307655 -0.263605 -0.108906 0.095474 33O 1pz -0.011006 0.040691 0.002908 -0.046609 0.009689 -0.004708 33O 1px 0.022896 -0.003278 0.029960 0.005843 0.023689 -0.009936 33O 1py -0.010103 0.020956 0.035379 -0.017622 0.032149 -0.052282 33O 2pz -0.021099 -0.122017 0.055752 0.046828 0.011551 0.141099 33O 2px 0.077283 0.049220 -0.022723 0.072273 -0.028183 -0.128803 33O 2py 0.009808 -0.051888 -0.007335 0.048943 -0.033446 0.075253 33O 3pz -0.447867 0.497638 -0.315817 -0.671551 0.287573 -0.028066 33O 3px 0.181193 0.184030 0.138727 0.382060 -0.071092 -0.240451 33O 3py -0.229273 0.409457 -0.047916 -0.371140 0.099511 -0.097105 33O 1dz2 0.004746 -0.000421 0.004255 0.008801 0.001363 0.000644 33O 1dxz 0.001189 -0.001769 0.000322 0.001485 0.000402 0.001211 33O 1dyz 0.005179 -0.005347 0.004859 0.010527 -0.001965 0.007634 33O 1dx2y2 -0.001488 0.001816 -0.003367 -0.006088 0.001725 -0.000671 33O 1dxy 0.000427 -0.002300 -0.000121 -0.001172 0.000828 0.002861 33O 2dz2 0.103920 -0.045575 0.107633 0.003898 0.026724 -0.012301 33O 2dxz 0.100534 -0.041212 0.044893 0.117685 -0.000124 -0.018218 33O 2dyz 0.122416 -0.177536 0.102473 0.078250 -0.054735 0.074259 33O 2dx2y2 -0.076942 0.031577 -0.091541 -0.095869 -0.003646 0.111052 33O 2dxy 0.059807 -0.090102 -0.012792 0.062208 -0.012142 0.113294 33O 1f0 0.004283 0.000519 0.002625 0.004333 0.000150 -0.005339 33O 1f+1 0.001634 -0.001257 0.000306 0.009232 -0.001685 -0.010169 33O 1f-1 -0.000343 -0.002535 0.004250 0.006350 0.002920 0.007550 33O 1f+2 -0.003040 -0.000591 -0.002700 -0.010399 0.001748 0.011767 33O 1f-2 0.001656 -0.003189 0.003078 0.005137 -0.000350 -0.001602 33O 1f+3 -0.002927 -0.004779 0.000574 0.000725 0.000207 0.004159 33O 1f-3 -0.000879 0.000126 0.001135 -0.000896 -0.000429 -0.000020 34O 1s -0.002505 -0.003270 0.003019 -0.001632 0.001823 0.000952 34O 2s -0.005479 -0.006009 0.004911 -0.001849 0.003693 -0.001486 34O 3s -0.018349 -0.043055 0.051886 -0.050598 0.027529 0.118235 34O 4s 0.244940 0.458888 -0.355587 0.341112 -0.371044 -0.688712 34O 5s 0.528679 -0.138707 -0.680813 -0.128279 0.287836 -0.574404 34O 1pz -0.033177 0.029240 -0.050085 0.001057 -0.034536 -0.031438 34O 1px 0.019536 0.054041 -0.054992 0.029329 -0.002630 -0.013494 34O 1py 0.016399 -0.029751 0.014830 -0.024810 0.009062 0.014191 34O 2pz 0.028817 -0.027703 0.057324 -0.017332 0.022064 0.070535 34O 2px 0.143936 0.089262 -0.089784 0.097964 -0.131991 -0.431235 34O 2py -0.074573 -0.015638 0.007363 0.024773 0.024246 0.077107 34O 3pz -0.168556 0.307907 -0.252645 -0.011595 -0.148898 0.076143 34O 3px 0.446267 0.372900 -0.759577 0.171578 -0.255900 -0.375868 34O 3py -0.068169 -0.533440 0.408038 -0.196486 0.179959 0.056242 34O 1dz2 0.000728 0.002304 0.000061 0.000766 -0.001714 -0.002192 34O 1dxz -0.003875 -0.005170 0.009084 -0.004169 0.000568 0.002905 34O 1dyz 0.002861 0.010160 -0.011611 0.003999 -0.001109 0.004639 34O 1dx2y2 0.001889 0.003672 -0.009759 0.003597 -0.000990 0.000852 34O 1dxy 0.003333 0.007715 -0.010516 0.005841 -0.002775 -0.002647 34O 2dz2 -0.030606 0.015963 0.113439 0.000849 -0.036395 0.040648 34O 2dxz -0.093678 -0.030058 -0.046414 -0.037359 -0.015050 0.045451 34O 2dyz 0.029233 0.192336 -0.094224 0.014190 -0.063935 0.097304 34O 2dx2y2 0.089700 0.145877 -0.178249 0.091081 -0.066860 -0.075784 34O 2dxy -0.037804 0.040984 0.075006 0.020456 -0.081274 0.057869 34O 1f0 -0.000777 0.000303 -0.000818 0.001936 0.001050 -0.005918 34O 1f+1 -0.006613 -0.006798 0.003381 -0.007406 0.004307 0.019262 34O 1f-1 0.000142 -0.000887 0.000354 0.000589 0.002218 -0.006617 34O 1f+2 -0.003729 -0.000957 -0.000471 0.003194 0.002676 -0.000325 34O 1f-2 0.000404 0.002457 -0.003836 0.003229 0.001552 -0.000468 34O 1f+3 -0.003596 -0.004349 0.008824 -0.006884 0.003151 0.014311 34O 1f-3 0.000801 0.003636 -0.006121 0.005046 -0.002545 -0.015574 35O 1s -0.002361 0.005028 -0.002831 -0.005635 -0.000554 0.001319 35O 2s -0.003845 0.012611 -0.006487 -0.012909 -0.004231 0.008290 35O 3s -0.052046 -0.000148 -0.015285 -0.016738 0.067320 -0.136021 35O 4s 0.507832 -0.429065 0.272871 0.432429 -0.245471 0.526707 35O 5s -0.127340 0.145751 0.645565 0.576259 -0.333594 0.274390 35O 1pz -0.026421 -0.052009 0.050763 0.026086 -0.012426 -0.038201 35O 1px 0.025511 -0.009856 -0.000828 0.027498 -0.013186 0.021305 35O 1py 0.004069 -0.041760 0.029239 0.059135 -0.039311 0.015704 35O 2pz 0.065602 0.020128 -0.032871 -0.002080 -0.005493 0.036217 35O 2px 0.157677 -0.157941 0.170280 0.157047 -0.079876 0.251040 35O 2py 0.112047 -0.040282 0.052546 0.015476 0.020967 0.082409 35O 3pz 0.124895 -0.555181 0.064598 0.368997 -0.118614 0.086158 35O 3px 0.286728 -0.143581 0.247550 0.491190 -0.422419 0.481426 35O 3py 0.167182 -0.329653 0.016659 0.486096 -0.313597 0.277913 35O 1dz2 -0.002372 0.003396 -0.001557 -0.009040 0.001438 -0.000149 35O 1dxz -0.003140 0.002836 -0.002533 -0.007137 0.002475 -0.007644 35O 1dyz -0.003533 0.006696 -0.004257 -0.014473 0.007661 -0.003115 35O 1dx2y2 -0.000409 -0.001047 0.001775 0.007739 -0.005575 0.004167 35O 1dxy -0.003169 0.003532 -0.001626 -0.004170 0.001647 -0.001732 35O 2dz2 -0.119577 0.121137 -0.037286 -0.156581 0.031288 -0.048499 35O 2dxz -0.061655 -0.041133 0.082193 0.093357 -0.000225 -0.117837 35O 2dyz -0.125307 0.123010 0.044652 -0.091390 0.068895 -0.000672 35O 2dx2y2 0.034571 -0.028312 -0.011951 0.094040 -0.098265 0.128216 35O 2dxy -0.001976 0.007375 0.055316 0.100682 -0.029297 0.087811 35O 1f0 -0.002135 0.001308 -0.000697 -0.001939 -0.000601 -0.005750 35O 1f+1 -0.004224 0.004551 -0.002358 -0.004987 0.005811 -0.015392 35O 1f-1 0.001483 0.000512 -0.004377 -0.004130 0.000057 -0.008687 35O 1f+2 -0.002373 -0.001588 0.001223 0.005889 -0.002297 0.003767 35O 1f-2 0.003053 0.000599 -0.000695 -0.002334 0.001650 0.005057 35O 1f+3 0.000061 0.002835 0.000007 -0.003349 0.004218 -0.006460 35O 1f-3 -0.006428 0.007702 -0.006609 -0.006933 0.006011 -0.017539 438 439 440 441 442 443 2.46552 2.51238 2.51426 2.52052 2.54591 2.54989 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s -0.004310 0.000860 0.000523 0.000569 -0.000177 0.000288 0Rh 2s 0.021741 -0.004897 -0.002559 -0.002654 0.000651 -0.001323 0Rh 3s -0.012191 0.002098 0.001529 0.001745 -0.000647 0.000896 0Rh 4s -0.111084 0.025234 0.013112 0.013712 -0.003351 0.006856 0Rh 5s 0.161524 -0.042156 -0.018715 -0.020588 0.003658 -0.010279 0Rh 6s 0.092339 0.007765 -0.012835 -0.003327 0.008268 -0.002030 0Rh 7s -0.633552 -0.004783 0.067510 0.009163 -0.042546 -0.008499 0Rh 8s -0.312418 -0.125395 0.058748 -0.222235 -0.025586 -0.108399 0Rh 1pz 0.010108 -0.006061 -0.000643 -0.008192 -0.003712 -0.001228 0Rh 1px -0.002389 -0.005099 0.000325 -0.003622 -0.000583 -0.000653 0Rh 1py -0.001125 0.007669 0.001257 -0.007190 -0.002730 -0.003184 0Rh 2pz -0.036210 0.022110 0.002398 0.029830 0.013462 0.004469 0Rh 2px 0.008378 0.018508 -0.001145 0.013021 0.002026 0.002349 0Rh 2py 0.003939 -0.027873 -0.004404 0.026233 0.009915 0.011644 0Rh 3pz 0.033841 -0.028560 -0.004288 -0.037598 -0.015044 -0.005717 0Rh 3px -0.003953 -0.021856 0.000625 -0.012660 -0.000267 -0.002258 0Rh 3py -0.001577 0.033946 0.001910 -0.033968 -0.012118 -0.015589 0Rh 4pz 0.111497 -0.036398 0.001609 -0.051808 -0.037225 -0.006220 0Rh 4px -0.041881 -0.040221 0.005497 -0.040085 -0.014840 -0.007301 0Rh 4py -0.022621 0.054100 0.023465 -0.042864 -0.017541 -0.016661 0Rh 5pz -0.188276 0.055122 -0.006305 0.072057 0.092284 0.002014 0Rh 5px 0.067981 0.068143 -0.008325 0.070689 0.036256 0.010441 0Rh 5py 0.054874 -0.082030 -0.046251 0.061119 0.018145 0.018934 0Rh 6pz -0.533697 0.327006 0.059929 0.819874 -0.206845 0.075253 0Rh 6px -0.057513 0.375798 -0.021311 0.286371 -0.144822 0.094439 0Rh 6py -0.431612 -0.750862 0.053308 0.613980 0.370024 0.480840 0Rh 1dz2 -0.010210 0.006062 0.011721 0.009690 -0.005225 0.013913 0Rh 1dxz -0.012532 -0.006081 0.001480 -0.006041 0.002438 0.000565 0Rh 1dyz -0.000503 -0.006367 0.020032 0.007139 -0.000707 0.007057 0Rh 1dx2y2 0.015452 -0.009223 0.003875 -0.006972 0.000995 0.004539 0Rh 1dxy 0.008805 0.004112 0.005282 -0.011388 -0.004575 -0.000953 0Rh 2dz2 0.001951 -0.000147 -0.006767 -0.001364 -0.004133 -0.001131 0Rh 2dxz 0.002095 -0.002080 0.000567 -0.002060 0.000849 -0.001151 0Rh 2dyz -0.000370 0.000171 -0.017838 -0.002639 -0.009884 -0.001857 0Rh 2dx2y2 -0.005091 0.001201 -0.001623 0.002072 -0.001584 0.000443 0Rh 2dxy -0.002091 0.001260 -0.006806 -0.001038 -0.003709 -0.000695 0Rh 3dz2 0.019682 -0.016397 -0.001853 -0.020920 0.033601 -0.034293 0Rh 3dxz 0.025462 0.026535 -0.006771 0.026468 -0.010738 0.003506 0Rh 3dyz 0.003098 0.017056 0.025219 -0.008026 0.047050 -0.011175 0Rh 3dx2y2 -0.020240 0.020384 -0.003318 0.010246 0.004425 -0.014999 0Rh 3dxy -0.015185 -0.017432 0.016297 0.036845 0.029915 0.005984 0Rh 4dz2 0.029358 -0.001409 -0.108649 -0.022771 -0.065385 -0.014922 0Rh 4dxz 0.031436 -0.032901 0.009212 -0.034424 0.013343 -0.015867 0Rh 4dyz -0.004088 0.003407 -0.281030 -0.041435 -0.155608 -0.033990 0Rh 4dx2y2 -0.073400 0.019590 -0.027881 0.031288 -0.024892 0.009767 0Rh 4dxy -0.029748 0.022370 -0.107922 -0.017453 -0.059818 -0.012804 0Rh 5dz2 -0.203441 0.041487 0.475686 0.173303 0.192012 0.163556 0Rh 5dxz -0.205381 0.085185 -0.019164 0.106499 -0.028322 0.050123 0Rh 5dyz -0.064275 -0.077213 1.126619 0.205595 0.554891 0.246311 0Rh 5dx2y2 0.341253 -0.153673 0.139133 -0.177558 0.094744 -0.020043 0Rh 5dxy 0.144391 -0.077222 0.415839 -0.023032 0.185763 0.059720 0Rh 1f0 0.014886 -0.093348 -0.049522 0.089175 0.041029 0.040832 0Rh 1f+1 0.012379 0.017903 0.040138 0.067554 0.006160 -0.012408 0Rh 1f-1 -0.165341 0.004022 -0.058109 0.233049 0.044003 0.088702 0Rh 1f+2 0.002157 -0.187280 -0.028765 -0.146691 0.022104 -0.024458 0Rh 1f-2 0.111295 -0.112396 0.104998 0.065617 0.004648 0.021278 0Rh 1f+3 -0.104067 0.117916 0.002640 -0.012182 -0.014147 -0.025817 0Rh 1f-3 -0.080071 -0.110648 -0.064217 0.036861 0.017514 0.047431 1Rh 1s -0.004281 -0.000777 0.000577 -0.000522 -0.000193 -0.000250 1Rh 2s 0.021485 0.004498 -0.002772 0.002415 0.000706 0.001188 1Rh 3s -0.012176 -0.001852 0.001717 -0.001616 -0.000709 -0.000752 1Rh 4s -0.109776 -0.023186 0.014216 -0.012483 -0.003634 -0.006159 1Rh 5s 0.158992 0.039240 -0.020186 0.018686 0.003986 0.009523 1Rh 6s 0.093942 -0.009726 -0.013755 0.002982 0.008686 0.000390 1Rh 7s -0.631769 0.012534 0.065181 -0.012493 -0.042116 0.014528 1Rh 8s -0.310507 0.135921 0.042261 0.228264 -0.009278 0.112333 1Rh 1pz -0.010109 -0.005897 0.001405 -0.007997 0.003529 -0.002074 1Rh 1px 0.002316 -0.005069 0.000265 -0.003553 0.000552 -0.000719 1Rh 1py 0.001366 0.007447 -0.001835 -0.007081 0.002172 -0.003881 1Rh 2pz 0.036196 0.021509 -0.005176 0.029119 -0.012796 0.007538 1Rh 2px -0.008118 0.018398 -0.000990 0.012775 -0.001915 0.002567 1Rh 2py -0.004811 -0.027082 0.006499 0.025837 -0.007876 0.014174 1Rh 3pz -0.033379 -0.027695 0.007832 -0.036648 0.014190 -0.009145 1Rh 3px 0.003772 -0.021699 0.001802 -0.012490 0.000186 -0.002064 1Rh 3py 0.002517 0.033317 -0.004354 -0.033426 0.009364 -0.018640 1Rh 4pz -0.113449 -0.035892 0.003150 -0.050772 0.036172 -0.014658 1Rh 4px 0.040836 -0.040088 -0.000501 -0.038967 0.014346 -0.009921 1Rh 4py 0.024789 0.051164 -0.028029 -0.042431 0.014765 -0.021523 1Rh 5pz 0.192965 0.055000 -0.000999 0.070443 -0.090925 0.022588 1Rh 5px -0.066751 0.067682 0.000372 0.067935 -0.035419 0.016867 1Rh 5py -0.058739 -0.076634 0.053976 0.060987 -0.015171 0.025443 1Rh 6pz 0.510510 0.311451 -0.107301 0.808372 0.197408 0.035939 1Rh 6px 0.088312 0.374416 -0.042662 0.294219 0.144494 0.065620 1Rh 6py 0.422759 -0.750304 -0.012362 0.597338 -0.286097 0.557248 1Rh 1dz2 -0.010299 -0.004768 0.012696 -0.009343 -0.007662 -0.012657 1Rh 1dxz -0.013208 0.006172 0.001020 0.006046 0.002096 -0.000940 1Rh 1dyz -0.000619 0.008139 0.019468 -0.006470 -0.001638 -0.006604 1Rh 1dx2y2 0.015637 0.009380 0.002525 0.007038 -0.000237 -0.004540 1Rh 1dxy 0.008586 -0.003681 0.005359 0.011299 -0.004344 0.002099 1Rh 2dz2 0.001964 -0.000473 -0.006771 0.000985 -0.003873 0.002040 1Rh 2dxz 0.002115 0.002092 0.000291 0.002077 0.000977 0.000967 1Rh 2dyz -0.000519 -0.001752 -0.017776 0.001697 -0.009408 0.004054 1Rh 2dx2y2 -0.005225 -0.001293 -0.001397 -0.002122 -0.001542 -0.000069 1Rh 2dxy -0.002182 -0.001858 -0.006646 0.000712 -0.003490 0.001510 1Rh 3dz2 0.019866 0.015609 -0.004573 0.021677 0.039336 0.026594 1Rh 3dxz 0.027252 -0.026850 -0.004221 -0.026560 -0.010323 -0.001612 1Rh 3dyz 0.004087 -0.014808 0.026523 0.010441 0.047451 -0.000115 1Rh 3dx2y2 -0.020145 -0.020388 -0.000564 -0.010198 0.007750 0.013291 1Rh 3dxy -0.014159 0.018961 0.015337 -0.035098 0.028245 -0.012962 1Rh 4dz2 0.029631 -0.008511 -0.108704 0.016760 -0.062010 0.029348 1Rh 4dxz 0.031828 0.033132 0.004767 0.034699 0.014815 0.013017 1Rh 4dyz -0.006172 -0.028381 -0.280049 0.026644 -0.147206 0.068514 1Rh 4dx2y2 -0.075498 -0.021293 -0.024249 -0.032214 -0.024864 -0.003857 1Rh 4dxy -0.031158 -0.031860 -0.105165 0.012206 -0.056046 0.025997 1Rh 5dz2 -0.207332 0.003803 0.484094 -0.149418 0.162678 -0.205274 1Rh 5dxz -0.213456 -0.085095 -0.003238 -0.107666 -0.033038 -0.043373 1Rh 5dyz -0.061256 0.178362 1.118526 -0.148289 0.505321 -0.365885 1Rh 5dx2y2 0.352081 0.162172 0.112663 0.182433 0.089048 -0.000649 1Rh 5dxy 0.147620 0.113542 0.403367 0.041470 0.170287 -0.099355 1Rh 1f0 -0.013866 -0.087546 0.055199 0.089612 -0.034422 0.049232 1Rh 1f+1 -0.013480 0.014560 -0.043326 0.066369 -0.009307 -0.011593 1Rh 1f-1 0.161935 0.008497 0.051127 0.231245 -0.030570 0.098213 1Rh 1f+2 -0.001102 -0.183130 0.050731 -0.146191 -0.023395 -0.019339 1Rh 1f-2 -0.113983 -0.120249 -0.095307 0.062727 -0.000639 0.021377 1Rh 1f+3 0.103444 0.116044 -0.012944 -0.012803 0.009704 -0.028069 1Rh 1f-3 0.075825 -0.104521 0.075162 0.038129 -0.008560 0.050863 2C 1s 0.002041 -0.001980 -0.000730 -0.001168 -0.002556 -0.000228 2C 2s 0.007048 -0.004686 -0.003166 -0.000301 -0.006976 0.000152 2C 3s 0.035341 0.139700 0.165692 0.255728 0.283592 0.059688 2C 4s -0.750073 -0.626708 -0.253129 -1.819472 -1.174662 -0.486071 2C 5s 1.161553 -0.201343 2.107015 -0.102557 -0.693486 0.181630 2C 1pz -0.005866 0.048974 0.058835 0.105237 0.163942 -0.076623 2C 1px 0.065271 0.039455 -0.029714 0.142058 0.029491 0.080389 2C 1py 0.020675 0.028995 0.080168 0.009491 -0.024655 0.133767 2C 2pz -0.352680 -0.344271 -0.043074 -0.595239 0.047893 -1.000040 2C 2px 0.220469 -0.125832 -0.428851 0.397372 -0.004968 0.247002 2C 2py -0.751041 -0.087284 0.449605 -1.510020 -1.160205 0.788961 2C 3pz 0.297931 -0.053544 0.459809 -0.059174 -0.267029 0.137892 2C 3px 0.034452 -0.009891 0.092119 -0.139407 -0.074935 -0.066212 2C 3py 0.230643 -0.018668 0.269846 0.022912 -0.037672 -0.105387 2C 1dz2 0.008879 -0.025869 -0.042814 0.013432 0.050518 -0.098013 2C 1dxz 0.110691 -0.017188 -0.090702 0.137959 0.031952 0.000319 2C 1dyz -0.056400 -0.019371 0.003364 -0.123383 -0.075222 -0.011180 2C 1dx2y2 0.026034 -0.007858 0.038032 0.044812 0.084817 -0.104820 2C 1dxy 0.006399 -0.001765 0.027695 -0.041183 -0.068340 0.105498 2C 2dz2 -0.070754 -0.028483 0.091150 -0.295805 -0.539795 0.653501 2C 2dxz -0.715258 -0.047177 0.592077 -1.139661 -0.277697 -0.177248 2C 2dyz 0.071278 -0.026923 -0.165193 0.140000 0.089346 -0.159993 2C 2dx2y2 0.107307 -0.014877 0.080357 -0.162454 -0.406736 0.618372 2C 2dxy -0.026006 -0.159802 0.027509 -0.042612 0.344555 -0.701381 2C 1f0 0.008151 0.015761 0.013629 -0.050271 -0.094031 0.131615 2C 1f+1 0.033341 0.003176 -0.035375 0.090229 0.077142 -0.067386 2C 1f-1 -0.049578 -0.027237 -0.018599 -0.060239 -0.004752 -0.083941 2C 1f+2 0.035078 0.011525 0.047165 0.034635 0.038327 -0.030655 2C 1f-2 0.000209 -0.019968 0.008462 -0.081434 -0.081340 0.053855 2C 1f+3 -0.001733 0.013482 0.048499 -0.022004 -0.060086 0.124469 2C 1f-3 0.006789 0.016770 -0.032256 0.061671 0.027117 0.028514 3C 1s 0.000832 -0.000932 0.000240 0.001644 0.002027 -0.000724 3C 2s 0.003713 -0.000178 0.000939 0.004568 0.005804 -0.002461 3C 3s 0.074028 0.246920 -0.180775 -0.129981 -0.307200 0.016592 3C 4s -0.916156 -1.799828 0.513815 0.582644 1.321157 0.083430 3C 5s -2.056042 -0.244667 -1.845682 -0.032690 0.573258 -0.113210 3C 1pz -0.009966 -0.057484 -0.095067 -0.001232 -0.004114 -0.012127 3C 1px 0.046892 0.082447 -0.035906 0.002816 0.009244 -0.085089 3C 1py -0.012270 -0.128121 0.053836 0.059147 0.165439 -0.041333 3C 2pz -0.891787 -1.786224 -0.429721 0.262452 0.871389 -0.152551 3C 2px -0.242011 -0.433714 0.161231 -0.037831 0.353752 -0.639577 3C 2py 0.396646 0.332443 -0.309273 -0.271163 -0.169846 -0.465569 3C 3pz -0.261385 0.066066 -0.227393 -0.017157 0.076535 -0.023264 3C 3px -0.189699 -0.086012 -0.120328 0.001217 0.007533 0.067560 3C 3py 0.520021 0.144710 0.415807 -0.030801 -0.242268 0.055535 3C 1dz2 -0.027240 -0.038710 0.015025 -0.003599 0.023350 0.009375 3C 1dxz 0.002328 -0.039808 0.028888 -0.007456 0.063871 -0.099441 3C 1dyz 0.075925 0.186852 0.018087 -0.026219 -0.080807 -0.013073 3C 1dx2y2 -0.052288 -0.090116 -0.078714 -0.002879 0.029483 -0.059397 3C 1dxy -0.061818 -0.054502 -0.042862 -0.000042 -0.009790 0.019412 3C 2dz2 0.071881 0.357392 0.151406 -0.144196 -0.163298 -0.074756 3C 2dxz -0.187521 0.018570 0.062261 0.009976 -0.268265 0.547465 3C 2dyz -0.258666 -0.666161 -0.346073 0.027173 0.106901 0.060818 3C 2dx2y2 0.379498 0.716600 0.212476 -0.132349 -0.512448 0.371903 3C 2dxy 0.427467 0.765201 0.223101 -0.017673 -0.011782 -0.238857 3C 1f0 0.022863 0.103039 0.044908 -0.023086 -0.081588 0.067146 3C 1f+1 0.001953 0.030958 0.028029 -0.002032 0.003589 -0.042756 3C 1f-1 0.019202 -0.044092 -0.038285 -0.001612 0.060100 -0.052100 3C 1f+2 0.037457 0.084189 -0.049740 -0.019521 -0.048453 -0.034784 3C 1f-2 0.012017 0.034827 -0.038368 -0.012214 -0.040609 0.033410 3C 1f+3 0.014441 0.067849 0.037913 -0.012499 -0.068675 0.076211 3C 1f-3 -0.011948 -0.040431 -0.014431 0.009108 0.004299 0.027541 4C 1s -0.009251 0.000254 -0.011344 -0.003482 -0.000650 -0.001140 4C 2s -0.029237 0.003041 -0.029321 -0.005467 0.004277 -0.002785 4C 3s 0.447770 -0.113808 -0.046888 0.012397 -0.380125 0.055904 4C 4s -1.052989 0.337010 0.987872 0.406434 1.668701 -0.125133 4C 5s -0.028462 -0.183906 0.720030 0.732381 0.788393 -0.027774 4C 1pz 0.216513 0.005372 0.036348 0.147268 -0.032634 0.069940 4C 1px 0.003491 -0.015525 0.013773 -0.025104 -0.002949 -0.019660 4C 1py 0.108816 0.000124 0.016767 0.092610 0.018407 0.009167 4C 2pz -1.137192 -0.221891 0.024153 -1.210109 -0.071213 -0.526216 4C 2px -0.302043 -0.048611 -0.048876 -0.075021 -0.014780 -0.003352 4C 2py -0.771079 -0.192726 0.079082 -0.897743 -0.260811 -0.129070 4C 3pz 1.148654 -0.290089 2.175209 0.044868 -0.476051 0.046273 4C 3px 0.147648 0.029780 0.383008 0.322322 0.013856 0.119134 4C 3py 0.575672 -0.187753 1.498253 0.031607 -0.291484 0.152872 4C 1dz2 -0.053498 -0.046055 -0.021083 -0.088114 -0.056325 0.021826 4C 1dxz -0.008992 -0.011489 -0.002739 -0.045690 -0.044831 0.004618 4C 1dyz -0.030124 -0.032945 -0.047185 -0.080565 -0.068820 -0.041300 4C 1dx2y2 -0.005821 -0.016623 -0.027183 0.017333 -0.044162 0.032637 4C 1dxy -0.016077 -0.006048 -0.034257 -0.015128 0.004441 -0.016437 4C 2dz2 0.524490 0.119818 -0.393954 0.700158 -0.016071 0.359998 4C 2dxz 0.098699 -0.079643 -0.266606 0.089489 -0.080119 0.013773 4C 2dyz 0.221027 0.170582 -0.192080 0.593826 0.267424 0.150046 4C 2dx2y2 -0.462104 -0.091256 0.704643 -0.655854 0.084655 -0.129573 4C 2dxy -0.370720 -0.039133 0.322392 -0.318286 0.204422 -0.278484 4C 1f0 0.030755 -0.024420 -0.037056 0.060697 0.057740 -0.120105 4C 1f+1 0.056811 -0.035412 -0.052944 0.046305 -0.047397 0.048168 4C 1f-1 0.062295 0.017738 -0.006599 0.076820 -0.001437 0.053473 4C 1f+2 0.043955 0.004381 0.023319 0.023705 0.041784 0.007869 4C 1f-2 0.048507 0.012562 -0.002902 0.052583 0.016725 -0.001710 4C 1f+3 0.034705 -0.003569 -0.006502 0.051260 0.024204 -0.030899 4C 1f-3 -0.009178 0.003991 -0.038573 -0.018981 -0.055594 0.014037 5C 1s 0.002263 -0.001737 0.012708 -0.000772 0.000343 0.001512 5C 2s 0.005561 -0.000716 0.033588 -0.004119 -0.006000 0.004521 5C 3s -0.168792 -0.028089 -0.004490 0.114852 0.419387 -0.077731 5C 4s 1.049952 0.498999 -0.927845 -0.356449 -1.807142 0.108295 5C 5s 0.873300 0.627100 -0.892477 0.197304 -0.773000 -0.317196 5C 1pz 0.007915 0.104293 -0.023420 -0.007799 -0.028324 -0.023424 5C 1px 0.020115 0.010915 -0.039365 -0.011049 0.011502 0.016112 5C 1py -0.047719 -0.131602 0.068550 0.003690 -0.025581 0.044347 5C 2pz -0.135570 -0.880301 -0.012772 0.201260 0.333540 0.124073 5C 2px -0.404550 -0.340016 0.251875 0.075905 -0.103385 -0.105149 5C 2py 0.336210 1.135245 -0.208866 -0.214237 -0.179306 -0.240253 5C 3pz -1.058718 -0.252919 -1.241472 0.123542 0.205598 -0.131947 5C 3px -0.626698 0.089016 -0.798434 0.108132 0.157870 -0.133266 5C 3py 1.507120 0.099785 2.069942 -0.128555 -0.405229 0.262093 5C 1dz2 0.041478 0.037349 -0.054622 -0.041953 -0.039947 0.017586 5C 1dxz 0.001277 -0.015988 -0.007173 -0.006887 -0.019632 0.003041 5C 1dyz 0.036914 0.056446 -0.061759 -0.005786 -0.047463 0.005820 5C 1dx2y2 0.007881 0.080628 -0.011314 -0.025056 -0.044622 0.002178 5C 1dxy -0.000609 0.052008 -0.026220 -0.024791 -0.054662 -0.026960 5C 2dz2 0.147730 0.271813 0.321918 0.011577 0.236128 -0.077387 5C 2dxz 0.217768 0.377236 0.381778 -0.130064 -0.120520 0.019622 5C 2dyz -0.368351 -0.520913 0.031948 0.108438 0.220510 0.055311 5C 2dx2y2 -0.754988 -0.897453 -0.423891 0.002933 -0.225757 0.188865 5C 2dxy -0.119080 -0.218503 -0.194951 0.133194 0.257112 0.004931 5C 1f0 -0.025177 -0.074656 0.023706 0.016556 0.043434 -0.031833 5C 1f+1 -0.036127 -0.039015 0.033844 -0.010805 0.033586 0.004436 5C 1f-1 0.058195 0.079782 -0.000664 -0.016147 -0.050548 0.037349 5C 1f+2 0.034025 -0.023829 0.002144 0.014237 0.001612 0.009338 5C 1f-2 0.027010 -0.002186 -0.027644 0.008949 -0.014226 0.003920 5C 1f+3 0.030339 0.064549 0.025173 0.022023 0.050165 -0.080358 5C 1f-3 -0.006495 -0.049815 -0.052642 -0.031642 -0.020801 -0.043363 6C 1s 0.002385 0.002904 0.012477 0.001186 -0.000029 -0.001511 6C 2s 0.005993 0.003848 0.033303 0.005034 -0.006984 -0.002892 6C 3s -0.175338 0.026840 -0.007867 -0.101977 0.429197 -0.023771 6C 4s 1.055230 -0.579142 -0.863850 0.273365 -1.798920 0.324315 6C 5s 0.854205 -0.711179 -0.813108 -0.249622 -0.679270 0.491580 6C 1pz -0.007275 0.105752 0.014140 -0.006672 0.024156 -0.027561 6C 1px -0.016746 0.013322 0.037851 -0.009790 -0.008760 0.017473 6C 1py 0.045847 -0.137131 -0.056084 0.003867 0.033119 0.038315 6C 2pz 0.139646 -0.870932 0.084965 0.197042 -0.313560 0.192794 6C 2px 0.375764 -0.362230 -0.212607 0.070752 0.086812 -0.120479 6C 2py -0.337519 1.148706 0.108915 -0.209185 0.137406 -0.279270 6C 3pz 1.064889 -0.142555 1.259186 0.158175 -0.233925 -0.065004 6C 3px 0.628422 0.162404 0.789897 0.129346 -0.180508 -0.092644 6C 3py -1.527304 -0.080048 -2.071918 -0.174098 0.449722 0.149785 6C 1dz2 0.041220 -0.041561 -0.051759 0.039106 -0.044200 -0.007691 6C 1dxz 0.000846 0.015661 -0.008268 0.006632 -0.020027 0.001055 6C 1dyz 0.037017 -0.062520 -0.055624 0.002075 -0.047095 0.005907 6C 1dx2y2 0.006965 -0.080718 -0.004041 0.024324 -0.044369 0.008156 6C 1dxy -0.000275 -0.054232 -0.021915 0.023099 -0.049298 0.038970 6C 2dz2 0.142504 -0.244080 0.344706 0.006578 0.246115 0.021538 6C 2dxz 0.217995 -0.338042 0.410247 0.140058 -0.127153 0.008789 6C 2dyz -0.365517 0.526647 -0.018166 -0.100789 0.205756 -0.108149 6C 2dx2y2 -0.743943 0.862690 -0.511536 -0.024616 -0.260118 -0.137848 6C 2dxy -0.127833 0.192694 -0.206034 -0.132024 0.256959 -0.062085 6C 1f0 0.024899 -0.076648 -0.016680 0.015429 -0.049951 -0.020269 6C 1f+1 0.036324 -0.040984 -0.029749 -0.012002 -0.032182 0.012425 6C 1f-1 -0.056643 0.078251 -0.006597 -0.016121 0.059580 0.024828 6C 1f+2 -0.034150 -0.023249 -0.000820 0.013776 0.000911 0.009409 6C 1f-2 -0.026696 -0.000231 0.027111 0.010263 0.014391 0.000443 6C 1f+3 -0.028923 0.062357 -0.032242 0.019094 -0.064850 -0.066151 6C 1f-3 0.004943 -0.043376 0.057569 -0.028038 0.012751 -0.046170 7C 1s -0.009287 -0.001205 -0.011371 0.003192 -0.000587 0.001222 7C 2s -0.029188 -0.005444 -0.029110 0.004956 0.004219 0.001592 7C 3s 0.444994 0.104737 -0.054180 -0.030692 -0.375008 0.035209 7C 4s -1.043403 -0.232134 1.015224 -0.303742 1.640447 -0.270465 7C 5s -0.013989 0.248061 0.721205 -0.684045 0.796608 -0.156129 7C 1pz -0.216461 0.003185 -0.040566 0.147991 0.042619 0.061106 7C 1px -0.001145 -0.017695 -0.012342 -0.027347 0.000877 -0.018359 7C 1py -0.109905 -0.000238 -0.020172 0.092030 -0.018199 0.012514 7C 2pz 1.147785 -0.229053 0.025673 -1.214968 -0.018268 -0.536547 7C 2px 0.289175 -0.040182 0.062616 -0.072090 0.009323 -0.012888 7C 2py 0.778243 -0.205260 -0.030040 -0.895897 0.246417 -0.180673 7C 3pz -1.155336 -0.480928 -2.138186 -0.005734 0.462750 -0.076269 7C 3px -0.157192 -0.004126 -0.384657 0.310979 -0.005765 0.119005 7C 3py -0.599277 -0.318084 -1.476395 0.003784 0.309044 0.080220 7C 1dz2 -0.053223 0.043991 -0.027186 0.084449 -0.061125 -0.010443 7C 1dxz -0.008705 0.011519 -0.004901 0.043666 -0.046368 0.003610 7C 1dyz -0.032715 0.028808 -0.051818 0.078812 -0.060087 0.057269 7C 1dx2y2 -0.003169 0.014369 -0.028279 -0.020732 -0.050009 -0.024739 7C 1dxy -0.016229 0.002519 -0.034454 0.014150 0.007348 0.016418 7C 2dz2 0.533137 -0.155709 -0.367243 -0.720436 -0.075343 -0.353044 7C 2dxz 0.091962 0.055512 -0.267918 -0.092234 -0.091005 -0.000788 7C 2dyz 0.232705 -0.188197 -0.158984 -0.595009 0.239902 -0.210698 7C 2dx2y2 -0.469077 0.159770 0.671719 0.686916 0.092292 0.105888 7C 2dxy -0.374683 0.069271 0.309880 0.343114 0.242519 0.225966 7C 1f0 -0.026758 -0.020918 0.037040 0.056845 -0.082663 -0.108980 7C 1f+1 -0.054515 -0.030888 0.054325 0.048129 0.053830 0.034825 7C 1f-1 -0.063780 0.018352 0.003216 0.077797 0.010217 0.051982 7C 1f+2 -0.039330 0.001934 -0.024382 0.019303 -0.040828 0.014609 7C 1f-2 -0.047806 0.013159 0.000125 0.052804 -0.018916 0.001424 7C 1f+3 -0.035670 -0.002504 0.005049 0.052220 -0.032850 -0.026310 7C 1f-3 0.007624 0.007842 0.038708 -0.014254 0.057220 0.002558 8C 1s 0.000759 0.000945 0.000201 -0.001602 0.002202 0.000183 8C 2s 0.003479 0.000195 0.001074 -0.004466 0.006428 0.000897 8C 3s 0.077078 -0.260893 -0.159045 0.116946 -0.308363 0.057071 8C 4s -0.920244 1.835453 0.349672 -0.535311 1.293666 -0.396975 8C 5s -2.065894 0.094095 -1.870650 0.006055 0.569826 -0.030926 8C 1pz 0.008556 -0.048400 0.099559 0.003364 -0.000527 -0.013841 8C 1px -0.046110 0.088251 0.026332 0.003548 -0.024392 -0.080157 8C 1py 0.013643 -0.131405 -0.043389 0.053448 -0.171942 -0.002175 8C 2pz 0.882193 -1.726168 0.586789 0.273026 -0.917936 0.054614 8C 2px 0.229984 -0.433555 -0.126353 -0.051140 -0.451904 -0.527985 8C 2py -0.408206 0.372737 0.274849 -0.246360 0.075021 -0.493635 8C 3pz 0.264108 0.083461 0.222187 -0.018020 -0.073402 -0.008099 8C 3px 0.191440 -0.077414 0.128276 0.003013 0.002648 0.071084 8C 3py -0.520659 0.107277 -0.430543 -0.037708 0.247867 -0.007359 8C 1dz2 -0.026297 0.038911 0.011066 0.004082 0.022602 -0.012593 8C 1dxz 0.003452 0.041240 0.024981 0.009091 0.081381 0.081402 8C 1dyz 0.074588 -0.183299 0.035077 0.026814 -0.079651 0.031834 8C 1dx2y2 -0.050030 0.079532 -0.085862 -0.000538 0.041770 0.050375 8C 1dxy -0.061843 0.051789 -0.048412 -0.002771 -0.011110 -0.016824 8C 2dz2 0.068781 -0.340840 0.179381 0.146752 -0.155548 0.103729 8C 2dxz -0.185802 -0.006239 0.057823 -0.011847 -0.368957 -0.468914 8C 2dyz -0.249766 0.627046 -0.404861 -0.047356 0.108494 -0.084239 8C 2dx2y2 0.366117 -0.673962 0.267567 0.135694 -0.585043 -0.239562 8C 2dxy 0.430943 -0.753744 0.299644 0.031754 0.021204 0.236998 8C 1f0 -0.023328 0.097703 -0.053259 -0.023990 0.095142 0.045423 8C 1f+1 -0.001960 0.028589 -0.029723 -0.003262 -0.010779 -0.040670 8C 1f-1 -0.018098 -0.040662 0.042067 -0.001409 -0.069481 -0.036575 8C 1f+2 -0.037077 0.087945 0.041981 -0.016529 0.040207 -0.045367 8C 1f-2 -0.012005 0.039059 0.034881 -0.010102 0.047011 0.022726 8C 1f+3 -0.015077 0.064000 -0.043162 -0.013293 0.083671 0.056855 8C 1f-3 0.011254 -0.037838 0.018105 0.009729 0.000881 0.027551 9C 1s 0.002028 0.001882 -0.000923 0.001044 -0.002463 0.000817 9C 2s 0.007152 0.004317 -0.003571 -0.000154 -0.006800 0.001470 9C 3s 0.037612 -0.123573 0.183614 -0.240520 0.266304 -0.124870 9C 4s -0.769464 0.601889 -0.354577 1.775643 -1.067287 0.753806 9C 5s 1.159286 0.387646 2.077647 0.151135 -0.711228 -0.009127 9C 1pz 0.003987 0.043401 -0.066909 0.096279 -0.176699 -0.040567 9C 1px -0.066801 0.042506 0.022531 0.144514 -0.020696 0.081237 9C 1py -0.022182 0.021537 -0.079911 0.011101 0.052537 0.131216 9C 2pz 0.378916 -0.342538 0.076229 -0.616273 -0.255009 -1.006728 9C 2px -0.205292 -0.083675 0.425638 0.410444 0.011852 0.204088 9C 2py 0.726341 -0.128420 -0.374782 -1.453112 1.334558 0.561723 9C 3pz -0.301663 -0.093123 -0.449446 -0.062356 0.287192 0.075799 9C 3px -0.035750 -0.017806 -0.086457 -0.138051 0.070482 -0.079758 9C 3py -0.227722 -0.041623 -0.270487 0.012925 0.013048 -0.120668 9C 1dz2 0.003790 0.021460 -0.042809 -0.008882 0.070413 0.089160 9C 1dxz 0.107507 0.008278 -0.086878 -0.138734 0.037908 -0.002310 9C 1dyz -0.054939 0.020278 -0.002638 0.118603 -0.073454 0.026559 9C 1dx2y2 0.023813 0.011475 0.038354 -0.040282 0.107879 0.089055 9C 1dxy 0.008273 0.003880 0.025066 0.036838 -0.087226 -0.088771 9C 2dz2 -0.048452 0.037877 0.060600 0.254334 -0.664491 -0.542373 9C 2dxz -0.710084 0.104635 0.548399 1.146849 -0.286097 0.202717 9C 2dyz 0.054677 0.009041 -0.149926 -0.124063 0.124030 0.148169 9C 2dx2y2 0.103773 0.018728 0.071331 0.148105 -0.545728 -0.549578 9C 2dxy -0.048308 0.166443 0.026193 0.080022 0.464344 0.615754 9C 1f0 -0.005956 0.014627 -0.012763 -0.048300 0.121200 0.111935 9C 1f+1 -0.032122 0.006865 0.031109 0.087366 -0.090740 -0.050792 9C 1f-1 0.049443 -0.025346 0.022402 -0.058832 -0.012493 -0.084781 9C 1f+2 -0.035582 0.007736 -0.048437 0.034675 -0.045674 -0.020922 9C 1f-2 0.000871 -0.020497 -0.004298 -0.077669 0.091333 0.036320 9C 1f+3 0.000575 0.008291 -0.047829 -0.022101 0.087114 0.112545 9C 1f-3 -0.006837 0.020427 0.026744 0.061743 -0.021770 0.035284 10H 1s -0.067217 0.006338 0.039710 -0.079608 -0.016405 0.021288 10H 2s -0.530645 0.017170 0.654766 -0.661618 0.258562 -0.776778 10H 3s 0.062946 0.011732 -0.172826 0.125354 -0.036147 0.175172 10H 1pz 0.027580 0.036336 0.066887 0.021671 -0.063767 0.107628 10H 1px 0.271688 0.028829 -0.296423 0.406245 -0.110070 0.388630 10H 1py 0.082350 0.072820 -0.108330 0.269097 0.189389 -0.145064 11H 1s 0.055693 -0.031763 -0.025467 -0.060090 -0.117826 0.086463 11H 2s 0.644726 0.008730 -0.586417 1.626392 1.265397 -0.923920 11H 3s -0.103002 -0.003153 -0.017367 -0.329892 -0.322956 0.249368 11H 1pz 0.123188 -0.026994 -0.080762 0.273276 0.140214 -0.018574 11H 1px 0.179103 -0.008919 -0.080909 0.358179 0.398150 -0.393900 11H 1py -0.137804 -0.037570 0.251275 -0.452728 -0.295560 0.183082 12H 1s -0.036807 -0.024084 -0.046241 -0.014950 0.064196 -0.138710 12H 2s -0.092517 0.223830 0.397685 -0.415681 -1.011958 1.790870 12H 3s -0.029458 -0.023464 -0.207213 0.097094 0.308510 -0.474805 12H 1pz 0.006385 0.016772 -0.009781 0.098611 0.285999 -0.424161 12H 1px -0.014667 -0.008739 0.222846 -0.259327 -0.244668 0.300357 12H 1py -0.031012 0.090576 0.077195 -0.053117 -0.243988 0.508586 13H 1s -0.066825 -0.077052 -0.017795 0.014061 0.015855 -0.001628 13H 2s -0.449174 -0.715532 -0.531901 0.089976 -0.109081 0.635668 13H 3s 0.133722 0.129971 0.120751 0.007028 0.043052 -0.131628 13H 1pz -0.078734 0.014700 -0.054224 -0.033040 -0.142741 0.204680 13H 1px 0.202364 0.477527 0.246914 -0.070342 -0.019325 -0.223880 13H 1py -0.005466 -0.048632 0.047615 -0.025428 -0.098331 0.083310 14H 1s -0.042677 -0.017988 0.057464 -0.010915 -0.057663 0.070768 14H 2s -0.180783 -0.672599 -0.478883 -0.021569 0.606785 -1.074308 14H 3s 0.102107 0.137825 0.195998 0.003092 -0.204142 0.240962 14H 1pz -0.042537 0.075483 0.048464 -0.079783 -0.009370 -0.179401 14H 1px -0.073285 -0.346140 -0.248039 0.025309 0.230837 -0.321780 14H 1py -0.012937 -0.090521 0.009529 0.069017 0.192720 -0.212394 15H 1s 0.058105 -0.040292 0.021188 0.026455 0.105892 -0.046374 15H 2s 0.615554 1.833278 0.488774 -0.208399 -1.031336 0.409010 15H 3s 0.028282 -0.371988 0.001037 0.073001 0.258236 -0.107385 15H 1pz -0.188460 -0.604592 -0.223186 0.106697 0.352653 -0.135506 15H 1px 0.057507 0.034554 -0.079959 -0.003844 -0.128961 0.150600 15H 1py -0.134701 -0.400403 -0.076998 0.013635 0.197339 -0.040730 16H 1s -0.197592 0.006938 0.073852 0.060594 0.052677 0.003311 16H 2s 0.588243 -0.082325 -0.329687 -0.192977 -0.049552 -0.115231 16H 3s -0.160768 0.049733 0.112432 0.100586 0.103308 -0.022326 16H 1pz 0.201305 -0.027152 -0.142738 -0.032131 0.018826 -0.068033 16H 1px 0.154356 -0.011492 -0.006365 -0.047756 0.009820 -0.050040 16H 1py -0.162549 -0.027322 -0.024191 0.045892 0.012981 0.029173 17H 1s -0.076172 0.001202 -0.031567 0.060237 -0.026566 0.083639 17H 2s 0.280990 -0.042990 0.192053 -0.097839 0.055869 0.083612 17H 3s 0.035194 0.005807 -0.102087 0.078732 -0.071075 0.118153 17H 1pz -0.227593 0.021340 -0.003473 0.033187 0.009253 -0.049670 17H 1px 0.062152 0.018170 -0.097211 -0.033828 -0.018624 -0.108831 17H 1py -0.166176 -0.040861 0.114437 0.059771 0.024933 0.141070 18H 1s -0.081544 -0.004406 -0.024094 -0.062656 -0.037828 -0.077503 18H 2s 0.300384 0.056446 0.161479 0.104716 0.037548 -0.098313 18H 3s 0.033112 -0.017146 -0.097322 -0.085794 -0.086539 -0.101629 18H 1pz 0.233081 0.018039 -0.009231 0.029677 -0.019209 -0.052854 18H 1px -0.063010 0.026782 0.094376 -0.029436 0.001991 -0.113486 18H 1py 0.176897 -0.051452 -0.115709 0.056302 -0.004040 0.144306 19H 1s -0.204278 0.000114 0.081824 -0.056068 0.053328 -0.013945 19H 2s 0.602299 0.040777 -0.359799 0.171913 -0.040933 0.135572 19H 3s -0.163745 -0.040507 0.120842 -0.093607 0.106253 0.000675 19H 1pz -0.209444 -0.006598 0.152911 -0.023693 -0.024668 -0.071665 19H 1px -0.159745 -0.008015 0.013996 -0.046718 -0.015869 -0.046694 19H 1py 0.166242 -0.024207 0.020191 0.046525 -0.009403 0.025796 20H 1s 0.055603 0.042883 0.017923 -0.023358 0.114176 0.021034 20H 2s 0.603153 -1.764003 0.648610 0.223008 -1.124627 -0.155401 20H 3s 0.030143 0.364232 -0.031617 -0.075976 0.285390 0.040028 20H 1pz 0.183040 -0.575966 0.274587 0.113298 -0.383453 -0.049397 20H 1px -0.053208 0.043846 0.074762 -0.000350 0.158817 0.115876 20H 1py 0.133149 -0.386984 0.113059 0.016239 -0.207018 0.007560 21H 1s -0.039051 0.023221 0.055311 0.012193 -0.071044 -0.054926 21H 2s -0.172757 0.605478 -0.528758 0.005412 0.809915 0.893659 21H 3s 0.102806 -0.117654 0.206916 0.001005 -0.246030 -0.185091 21H 1pz 0.040160 0.070268 -0.052051 -0.079898 -0.024326 -0.175825 21H 1px 0.070448 -0.315146 0.274674 0.033898 -0.291881 -0.254978 21H 1py 0.008521 -0.087148 -0.003987 0.065781 -0.233186 -0.162257 22H 1s -0.067385 0.075178 -0.025245 -0.014133 0.014717 -0.003169 22H 2s -0.444301 0.666407 -0.597719 -0.121102 -0.199236 -0.585985 22H 3s 0.132844 -0.120582 0.132271 -0.001283 0.061440 0.117789 22H 1pz 0.078371 0.019918 0.053619 -0.027597 0.175445 0.163412 22H 1px -0.201098 0.454810 -0.289582 -0.082333 -0.015042 -0.221988 22H 1py 0.008412 -0.055013 -0.042327 -0.026347 0.115823 0.058263 23H 1s -0.033515 0.019245 -0.048536 0.014629 0.090666 0.125209 23H 2s -0.064922 -0.189694 0.379535 0.360417 -1.370373 -1.586770 23H 3s -0.030727 0.003475 -0.201790 -0.091104 0.401535 0.411617 23H 1pz 0.001622 0.018946 -0.001459 0.082925 -0.371188 -0.365884 23H 1px 0.015255 -0.030995 -0.209412 -0.250802 0.304188 0.247557 23H 1py 0.021053 0.084736 -0.079215 -0.040790 0.347476 0.460334 24H 1s 0.051487 0.029213 -0.030070 0.057062 -0.135901 -0.062848 24H 2s 0.617437 -0.063461 -0.513412 -1.572326 1.488542 0.695131 24H 3s -0.094303 0.001742 -0.032488 0.310235 -0.381863 -0.191106 24H 1pz -0.119905 -0.020394 0.074110 0.264952 -0.146801 0.006916 24H 1px -0.167798 0.000053 0.064191 0.344314 -0.488931 -0.319042 24H 1py 0.133466 -0.062642 -0.228285 -0.439650 0.339197 0.129115 25H 1s -0.070547 -0.002320 0.038704 0.081258 -0.019550 -0.015607 25H 2s -0.512227 0.048496 0.629902 0.687667 0.371211 0.683681 25H 3s 0.058908 -0.028768 -0.166181 -0.131314 -0.059161 -0.159853 25H 1pz -0.037134 0.028672 -0.066494 0.024775 0.086770 0.096900 25H 1px -0.272322 0.057279 0.280923 0.418947 0.170894 0.352118 25H 1py -0.089464 0.085118 0.094761 0.270136 -0.222061 -0.104749 26O 1s -0.005452 0.002986 0.000363 0.000250 0.001434 -0.001170 26O 2s -0.014120 0.009517 0.000639 0.000218 0.003008 -0.003285 26O 3s -0.002055 -0.050096 0.025047 -0.036403 0.018939 -0.006549 26O 4s 0.516390 0.046481 -0.068641 0.442507 -0.121371 0.236723 26O 5s 0.336110 0.218234 -2.315018 0.389285 -0.646683 0.088556 26O 1pz -0.047564 0.036226 0.087761 0.016274 0.100711 -0.103989 26O 1px 0.019624 -0.018182 -0.016071 0.063109 0.055143 -0.067033 26O 1py -0.009913 -0.007272 0.037738 -0.039858 -0.074448 0.144070 26O 2pz 0.008567 -0.048300 -0.048066 -0.143851 -0.148309 0.095256 26O 2px -0.343320 0.018340 0.255842 -0.374219 0.049954 -0.053566 26O 2py -0.134491 0.000537 0.084279 -0.138419 0.139857 -0.228106 26O 3pz -0.109471 0.015951 -0.343478 0.180172 0.121119 -0.151325 26O 3px -0.221514 -0.200698 0.313497 0.095467 0.213173 -0.116275 26O 3py -0.037765 0.034025 -0.097519 0.119743 -0.091903 0.039903 26O 1dz2 0.000325 0.001191 -0.000010 0.008415 0.002196 0.004094 26O 1dxz -0.003281 -0.000212 -0.002003 0.004142 0.003352 -0.000209 26O 1dyz 0.000926 0.001662 -0.004738 0.014511 -0.000178 0.003268 26O 1dx2y2 -0.001124 -0.000607 -0.000972 -0.005159 -0.001738 -0.001321 26O 1dxy -0.003734 0.001015 -0.004469 0.001638 -0.001053 0.001033 26O 2dz2 -0.045009 -0.026253 -0.074297 -0.005725 -0.015708 -0.008090 26O 2dxz 0.056895 -0.019122 -0.232726 0.072264 -0.070474 0.084557 26O 2dyz 0.055618 -0.012402 -0.270596 0.042815 -0.124612 -0.005929 26O 2dx2y2 0.011924 0.006230 0.080155 -0.059839 -0.048341 0.083109 26O 2dxy 0.008659 0.027080 -0.193401 0.033951 -0.026001 -0.050661 26O 1f0 0.004373 0.002628 0.001627 0.003927 0.000835 0.002250 26O 1f+1 0.001683 -0.001055 -0.003619 -0.006360 -0.010198 -0.001501 26O 1f-1 0.010331 -0.000544 0.003375 -0.003510 -0.003825 0.001984 26O 1f+2 -0.004435 0.001758 -0.002283 0.002248 -0.000016 -0.002425 26O 1f-2 -0.003959 -0.002499 0.001073 -0.012162 -0.003586 -0.003155 26O 1f+3 0.004529 0.000649 -0.001847 -0.001697 0.000197 0.001546 26O 1f-3 0.013031 -0.004344 -0.005570 0.007510 -0.008205 0.002479 27O 1s -0.005481 0.000461 0.001452 -0.001817 0.000109 0.001752 27O 2s -0.015744 0.001122 0.004530 -0.005262 0.002555 0.005971 27O 3s 0.049361 -0.040094 -0.033841 0.014507 -0.066778 -0.023197 27O 4s 0.201106 0.407829 -0.067233 0.079020 0.279692 -0.105242 27O 5s 0.941186 0.486703 2.011968 -0.175485 0.710216 0.167587 27O 1pz -0.077385 -0.053301 -0.037647 0.044233 0.051529 -0.061603 27O 1px 0.011405 0.036545 0.001496 0.011044 -0.022087 -0.023337 27O 1py 0.063707 -0.021002 0.074293 0.015086 0.090466 -0.071927 27O 2pz 0.070463 0.022950 0.032529 -0.028401 -0.039084 0.059356 27O 2px -0.228789 -0.354317 -0.140148 -0.045940 -0.195217 0.106818 27O 2py 0.007547 0.185045 -0.034807 -0.024759 -0.091551 0.051761 27O 3pz 0.184919 0.090468 0.201848 -0.074616 0.167462 -0.027769 27O 3px 0.077854 0.144772 -0.184159 0.047700 -0.281702 -0.147331 27O 3py -0.089026 -0.177146 -0.284008 -0.086648 0.046362 -0.091600 27O 1dz2 0.003036 -0.001024 -0.004187 -0.001486 0.000329 0.002654 27O 1dxz -0.000464 0.004620 0.001394 -0.001709 -0.000203 -0.001777 27O 1dyz 0.001404 -0.010834 -0.002747 0.000711 -0.001719 0.002196 27O 1dx2y2 -0.002530 -0.008224 0.002829 0.000994 0.000674 0.003065 27O 1dxy 0.001437 -0.007463 -0.004072 0.000233 0.000281 0.000958 27O 2dz2 0.054369 0.014524 -0.119948 -0.013910 -0.054724 0.002015 27O 2dxz 0.113383 0.084582 0.174275 -0.058688 -0.030123 0.025932 27O 2dyz -0.022349 -0.020531 -0.168470 -0.002202 -0.077796 -0.022703 27O 2dx2y2 -0.063683 -0.034254 -0.072627 -0.014733 0.008160 0.032627 27O 2dxy -0.169647 -0.107831 -0.273030 0.010732 -0.106034 0.044737 27O 1f0 -0.001932 0.003271 0.004703 0.001242 -0.000539 0.003287 27O 1f+1 0.005793 0.008001 0.001373 0.005133 0.007835 -0.002205 27O 1f-1 -0.002058 -0.004775 0.000802 -0.001587 -0.000638 0.003067 27O 1f+2 -0.004105 0.001350 0.005650 0.000906 0.001041 0.000247 27O 1f-2 -0.000142 0.009303 0.001518 -0.002900 -0.001437 0.001547 27O 1f+3 0.000805 -0.007481 0.002090 0.002374 0.012388 0.001878 27O 1f-3 0.002070 -0.004506 0.001365 0.003102 -0.001955 0.005416 28O 1s -0.000752 0.002804 0.000467 0.002102 -0.000092 0.001109 28O 2s -0.003152 0.008323 0.000655 0.004468 -0.001262 0.002596 28O 3s 0.013694 -0.030488 0.019834 -0.013445 0.032541 -0.000527 28O 4s 0.012088 -0.066530 0.037319 -0.019573 -0.079276 -0.130249 28O 5s 0.708063 0.185253 -2.326598 1.022809 -0.567350 0.706420 28O 1pz 0.035980 -0.014475 0.098517 0.014161 0.001634 0.055798 28O 1px -0.045138 -0.002558 0.076191 -0.092569 -0.003548 -0.008515 28O 1py -0.044660 -0.006843 0.046930 -0.018554 0.122152 -0.124288 28O 2pz -0.270817 0.028250 0.067115 -0.263977 0.099697 -0.145475 28O 2px 0.157200 -0.038407 -0.218316 0.179587 -0.088058 0.021765 28O 2py -0.048835 -0.006266 0.015989 -0.101344 -0.139308 0.095078 28O 3pz 0.345585 -0.179778 -0.095367 0.296339 -0.117799 0.282763 28O 3px -0.051153 0.002431 -0.304337 -0.138650 -0.192881 0.079062 28O 3py 0.197453 0.037805 -0.235972 0.181121 0.104956 -0.035205 28O 1dz2 0.006996 -0.000193 -0.001445 0.010992 -0.001669 0.002770 28O 1dxz 0.005898 0.000715 0.002481 0.004680 -0.000795 0.000764 28O 1dyz 0.008205 0.002132 -0.000871 0.011789 -0.000708 0.004599 28O 1dx2y2 -0.006378 -0.002512 -0.001929 -0.005540 -0.001052 -0.003562 28O 1dxy 0.001940 -0.001111 0.000285 0.001017 -0.000867 0.001289 28O 2dz2 0.118021 0.007350 -0.302546 0.220790 -0.057625 0.049752 28O 2dxz 0.045972 -0.013182 0.085642 0.027540 0.001191 0.029350 28O 2dyz 0.167932 0.007600 -0.283950 0.167169 -0.142019 0.159439 28O 2dx2y2 -0.131086 -0.036249 0.116730 -0.167635 -0.020067 -0.053246 28O 2dxy -0.006338 -0.034775 0.085839 -0.057710 0.031878 -0.069031 28O 1f0 -0.002714 -0.000072 -0.003580 -0.005440 -0.002223 0.001909 28O 1f+1 0.007537 0.001736 -0.001623 0.008042 -0.002132 -0.000614 28O 1f-1 -0.008888 -0.000601 0.008394 -0.016277 0.002989 -0.008391 28O 1f+2 -0.003703 0.003211 0.001691 0.001832 0.006772 0.001491 28O 1f-2 0.003590 0.001277 0.002177 0.005114 0.003573 0.002879 28O 1f+3 -0.007830 0.003717 0.004354 -0.003636 0.006504 -0.002653 28O 1f-3 -0.001398 -0.003038 -0.001289 -0.001785 -0.001978 0.000972 29O 1s -0.012024 -0.001436 0.002181 0.005747 0.002177 0.005977 29O 2s -0.039833 -0.004012 0.007260 0.018618 0.006839 0.018679 29O 3s 0.261156 0.006371 -0.047362 -0.107226 -0.033150 -0.088194 29O 4s -0.362905 0.028929 0.064663 0.107103 0.023877 0.053499 29O 5s -0.239904 0.060403 0.042094 0.058716 -0.037689 -0.107025 29O 1pz -0.110629 0.023718 0.079523 0.030728 0.096911 -0.099760 29O 1px 0.060008 -0.038056 0.019818 -0.065865 0.034507 -0.099955 29O 1py 0.001621 -0.039349 -0.009293 0.015374 0.004471 0.050218 29O 2pz 0.265187 -0.036393 -0.300025 -0.065851 -0.143798 0.025939 29O 2px -0.134281 0.087262 -0.084015 0.093998 -0.063919 0.065354 29O 2py 0.067872 0.012310 0.016692 -0.014288 0.010837 -0.012702 29O 3pz -0.012951 -0.021528 0.022678 -0.069263 0.125929 -0.168122 29O 3px 0.003281 -0.093017 0.024829 -0.116432 0.044408 -0.089449 29O 3py 0.335094 0.045145 -0.065470 -0.126442 -0.028798 -0.038650 29O 1dz2 0.002292 -0.001788 -0.004240 -0.000570 0.000239 -0.001906 29O 1dxz 0.001148 -0.000381 0.002181 0.002516 -0.000054 0.003765 29O 1dyz 0.002776 0.001031 -0.007947 -0.001226 -0.002352 -0.002537 29O 1dx2y2 -0.003524 0.001632 0.000186 0.001014 -0.000890 -0.000149 29O 1dxy 0.000018 -0.000077 -0.003631 0.000848 -0.001263 -0.001797 29O 2dz2 0.281970 0.000675 -0.042377 -0.086382 -0.035215 -0.045314 29O 2dxz 0.182498 0.000874 -0.056757 -0.050633 -0.000126 -0.109413 29O 2dyz -0.100189 0.013907 0.038577 0.032197 -0.039311 0.101486 29O 2dx2y2 0.027082 0.050105 -0.026034 0.013601 -0.009258 -0.031367 29O 2dxy 0.131716 -0.026103 -0.024377 0.011650 -0.008071 0.041218 29O 1f0 0.011907 -0.001335 -0.001508 -0.002405 0.000670 0.000748 29O 1f+1 -0.003700 -0.000612 -0.000986 -0.000350 0.000060 -0.001996 29O 1f-1 0.018600 -0.002645 -0.008222 -0.004229 -0.000638 -0.002126 29O 1f+2 -0.000998 0.000918 0.003808 0.000576 0.000501 0.000441 29O 1f-2 0.005379 -0.002283 0.005813 -0.003889 0.001052 0.003085 29O 1f+3 0.009100 -0.000114 -0.003953 -0.003825 -0.000762 -0.003954 29O 1f-3 0.003036 0.001441 -0.003314 -0.000367 -0.000088 -0.002640 30O 1s -0.002816 0.002175 -0.000372 -0.002852 -0.001074 0.000626 30O 2s -0.010250 0.005341 0.000348 -0.009358 -0.003208 0.002595 30O 3s 0.076956 -0.029010 -0.036773 0.053725 0.010121 -0.016553 30O 4s -0.158413 0.062471 0.052346 -0.070864 -0.097942 0.042948 30O 5s 0.593495 1.014120 2.100181 -0.167295 0.663973 -0.340800 30O 1pz -0.064694 -0.001918 0.000270 -0.033150 -0.103713 0.046716 30O 1px -0.099331 -0.084017 -0.045139 -0.035479 -0.068892 0.053430 30O 1py 0.002091 -0.015655 0.098879 -0.015085 0.014271 0.047790 30O 2pz 0.012213 -0.176408 -0.124201 0.042002 0.097546 0.010737 30O 2px 0.080375 0.149924 0.175065 0.036200 0.113379 -0.085580 30O 2py 0.109157 0.256460 0.006856 0.014125 0.022473 -0.105270 30O 3pz 0.256021 0.257836 0.008630 -0.083718 -0.081051 -0.159511 30O 3px -0.180771 -0.008557 0.430331 -0.142766 -0.031952 -0.011478 30O 3py -0.408258 -0.268201 -0.044594 -0.116928 -0.137726 0.216422 30O 1dz2 -0.000076 -0.001800 -0.000386 -0.001373 -0.002653 -0.001507 30O 1dxz 0.005007 0.005139 -0.003716 0.000555 -0.001535 -0.002702 30O 1dyz -0.003582 -0.009416 -0.000052 0.001482 -0.000508 0.004645 30O 1dx2y2 -0.007681 -0.010148 0.002654 -0.000402 0.000731 0.000061 30O 1dxy -0.002079 -0.006090 0.003081 0.000927 -0.000316 0.000615 30O 2dz2 0.061552 0.043698 0.006555 -0.005121 0.016988 -0.048046 30O 2dxz 0.140679 0.088351 -0.027924 0.006311 -0.018025 -0.020343 30O 2dyz -0.139847 -0.168841 -0.268911 -0.002270 -0.159821 0.080704 30O 2dx2y2 -0.260755 -0.244761 -0.223940 -0.027270 -0.094927 0.026455 30O 2dxy -0.068653 -0.020388 0.037166 -0.022303 -0.071769 0.066333 30O 1f0 0.004860 0.013181 0.006254 0.001086 0.006889 -0.004099 30O 1f+1 -0.001247 -0.000642 0.001837 0.003804 0.003925 -0.002186 30O 1f-1 -0.001491 0.005876 0.001473 -0.000082 -0.002580 -0.006863 30O 1f+2 0.002403 0.010706 0.001040 -0.002349 -0.002763 -0.002165 30O 1f-2 0.005266 -0.003575 -0.001072 -0.001297 -0.001304 0.001213 30O 1f+3 -0.001675 0.000363 -0.004009 -0.000472 -0.000287 0.004375 30O 1f-3 0.006872 0.006044 -0.005748 0.000657 -0.006353 0.002368 31O 1s -0.002686 -0.002192 -0.000323 0.002849 -0.001302 -0.000364 31O 2s -0.009811 -0.005211 0.000320 0.009423 -0.004096 -0.001809 31O 3s 0.074244 0.024163 -0.035762 -0.055907 0.016177 0.014317 31O 4s -0.155423 -0.049480 0.051001 0.073514 -0.109660 -0.022973 31O 5s 0.619944 -0.828535 2.166548 0.253166 0.700163 0.186641 31O 1pz 0.064051 -0.001284 0.001037 -0.030077 0.113512 0.023275 31O 1px 0.097169 -0.081129 0.054362 -0.032277 0.079927 0.036529 31O 1py -0.001976 -0.023400 -0.096541 -0.017637 -0.003456 0.051160 31O 2pz -0.011224 -0.164565 0.137623 0.044740 -0.097908 0.030119 31O 2px -0.079373 0.133098 -0.187870 0.026813 -0.128362 -0.056033 31O 2py -0.108918 0.253072 -0.030528 0.010970 -0.042737 -0.098513 31O 3pz -0.237842 0.256878 -0.038535 -0.088425 0.051356 -0.176182 31O 3px 0.162289 -0.051619 -0.413859 -0.157296 0.040045 -0.016766 31O 3py 0.395321 -0.264903 0.081549 -0.108941 0.179121 0.183416 31O 1dz2 -0.000074 0.001750 -0.000602 0.001254 -0.002309 0.001959 31O 1dxz 0.004960 -0.005461 -0.003148 -0.000674 -0.000924 0.002941 31O 1dyz -0.003400 0.009437 -0.000909 -0.001515 -0.001410 -0.004403 31O 1dx2y2 -0.007618 0.010467 0.001624 0.000535 0.000711 -0.000217 31O 1dxy -0.002035 0.006395 0.002490 -0.000815 -0.000385 -0.000503 31O 2dz2 0.061701 -0.043254 0.009990 0.005542 0.027054 0.042768 31O 2dxz 0.135994 -0.091782 -0.017012 -0.006607 -0.013086 0.024606 31O 2dyz -0.136963 0.145436 -0.283826 -0.011436 -0.172752 -0.043210 31O 2dx2y2 -0.257343 0.227298 -0.248732 0.018359 -0.100260 -0.005970 31O 2dxy -0.065431 0.025553 0.033278 0.021672 -0.083946 -0.048608 31O 1f0 -0.004735 0.012585 -0.007500 0.000532 -0.007394 -0.002436 31O 1f+1 0.001358 -0.000786 -0.001904 0.003535 -0.004421 -0.001307 31O 1f-1 0.001502 0.005755 -0.002050 -0.000112 0.001106 -0.007202 31O 1f+2 -0.002273 0.010626 -0.002040 -0.002337 0.002313 -0.002790 31O 1f-2 -0.005255 -0.003388 0.001348 -0.001152 0.001590 0.000804 31O 1f+3 0.001802 0.000639 0.003985 -0.000328 0.001066 0.004154 31O 1f-3 -0.006794 0.006516 0.005026 0.000978 0.006651 0.000746 32O 1s -0.012471 0.001482 0.002614 -0.005740 0.001339 -0.006263 32O 2s -0.041335 0.004247 0.008850 -0.018560 0.004288 -0.019616 32O 3s 0.271186 -0.010128 -0.061178 0.105799 -0.022820 0.093763 32O 4s -0.379456 -0.019533 0.092660 -0.103656 0.022694 -0.060993 32O 5s -0.237091 -0.045374 0.052511 -0.047986 -0.017364 0.110829 32O 1pz 0.113683 0.018365 -0.083407 0.025214 -0.111349 -0.083998 32O 1px -0.062682 -0.040824 -0.013129 -0.067961 -0.046923 -0.091306 32O 1py 0.001416 -0.036212 0.013174 0.017425 0.003010 0.047239 32O 2pz -0.265651 -0.006708 0.305190 -0.047715 0.148885 -0.006088 32O 2px 0.141560 0.094264 0.065784 0.098354 0.068493 0.050020 32O 2py -0.077104 0.012046 -0.007884 -0.015945 -0.010270 -0.010826 32O 3pz 0.021645 -0.019517 -0.017597 -0.070929 -0.147292 -0.145972 32O 3px 0.004762 -0.097258 -0.020922 -0.117538 -0.054963 -0.078917 32O 3py -0.343868 0.056643 0.079345 -0.120193 0.023941 -0.048759 32O 1dz2 0.002132 0.001286 -0.004260 0.000285 0.000481 0.001873 32O 1dxz 0.001138 0.000555 0.002259 -0.002464 -0.000609 -0.003872 32O 1dyz 0.002741 -0.001790 -0.007880 0.000764 -0.001978 0.003220 32O 1dx2y2 -0.003533 -0.001549 0.000393 -0.001003 -0.000804 0.000169 32O 1dxy -0.000004 -0.000201 -0.003478 -0.001054 -0.000962 0.002005 32O 2dz2 0.298579 -0.005854 -0.058693 0.085443 -0.027747 0.053825 32O 2dxz 0.183706 -0.008365 -0.062754 0.047366 0.016376 0.110502 32O 2dyz -0.088437 -0.009217 0.041644 -0.026945 -0.053493 -0.092046 32O 2dx2y2 0.030441 -0.053135 -0.026820 -0.013503 -0.003064 0.035753 32O 2dxy 0.142809 0.020105 -0.035336 -0.012619 -0.014832 -0.036285 32O 1f0 -0.011310 -0.000871 0.001808 -0.001999 -0.000371 0.000824 32O 1f+1 0.004441 -0.000431 0.000873 -0.000180 -0.000389 -0.002114 32O 1f-1 -0.019640 -0.001522 0.009260 -0.003729 0.000631 -0.002578 32O 1f+2 0.001710 0.000587 -0.004178 0.000580 -0.000515 0.000711 32O 1f-2 -0.005277 -0.002703 -0.005066 -0.003976 -0.000490 0.003538 32O 1f+3 -0.009331 0.000179 0.003768 -0.003725 0.000145 -0.003927 32O 1f-3 -0.003261 0.001793 0.003222 -0.000283 -0.000292 -0.002772 33O 1s -0.000763 -0.002748 0.000827 -0.002062 -0.000310 -0.001075 33O 2s -0.003232 -0.008232 0.001692 -0.004353 -0.001833 -0.002284 33O 3s 0.014464 0.032461 0.015625 0.013628 0.033389 -0.006758 33O 4s 0.009078 0.068020 0.032261 0.025767 -0.060492 0.145315 33O 5s 0.718005 -0.403650 -2.270296 -1.132482 -0.661916 -0.564318 33O 1pz -0.035302 -0.024356 -0.097272 0.008760 0.011329 0.056043 33O 1px 0.048367 -0.010473 -0.074046 -0.097866 0.006375 -0.007899 33O 1py 0.045764 -0.009282 -0.047756 -0.022512 -0.145039 -0.095637 33O 2pz 0.270940 0.021326 -0.061256 -0.267201 -0.123515 -0.121104 33O 2px -0.160413 -0.016015 0.216310 0.192224 0.084434 -0.000430 33O 2py 0.048881 -0.010499 -0.010024 -0.100478 0.158775 0.063919 33O 3pz -0.335716 -0.172551 0.095468 0.302586 0.160907 0.253871 33O 3px 0.052805 0.031666 0.307865 -0.124303 0.210737 0.035817 33O 3py -0.188563 0.061570 0.220218 0.184668 -0.118497 -0.016837 33O 1dz2 0.007140 0.000148 -0.001156 -0.011096 -0.001897 -0.002346 33O 1dxz 0.005879 -0.000523 0.002669 -0.004670 -0.000798 -0.000538 33O 1dyz 0.008310 -0.002248 -0.000305 -0.012000 -0.001335 -0.004407 33O 1dx2y2 -0.006371 0.002396 -0.002353 0.005529 -0.000439 0.003695 33O 1dxy 0.001929 0.001137 0.000199 -0.000991 -0.001096 -0.001012 33O 2dz2 0.123377 -0.035409 -0.294026 -0.235687 -0.058905 -0.035403 33O 2dxz 0.046226 0.021093 0.085393 -0.025986 -0.002710 -0.029351 33O 2dyz 0.169778 -0.033668 -0.278145 -0.184109 -0.165393 -0.125489 33O 2dx2y2 -0.132776 0.047620 0.109075 0.172921 -0.013109 0.056120 33O 2dxy -0.009820 0.042012 0.081682 0.062436 0.045259 0.062998 33O 1f0 0.002565 0.000323 0.003702 -0.005070 0.002629 0.001270 33O 1f+1 -0.007629 0.001922 0.001278 0.008192 0.001764 -0.001081 33O 1f-1 0.009175 -0.001414 -0.007855 -0.016780 -0.004154 -0.007480 33O 1f+2 0.003803 0.002930 -0.002014 0.001488 -0.006275 0.003008 33O 1f-2 -0.003777 0.001101 -0.002431 0.005047 -0.002890 0.003658 33O 1f+3 0.007624 0.003316 -0.004652 -0.003909 -0.006776 -0.001041 33O 1f-3 0.001396 -0.002945 0.001647 -0.001682 0.002185 0.000489 34O 1s -0.005281 -0.000256 0.001385 0.001885 -0.000329 -0.001684 34O 2s -0.015164 -0.000497 0.004304 0.005559 0.001046 -0.006228 34O 3s 0.048226 0.036198 -0.036533 -0.018368 -0.059723 0.036487 34O 4s 0.186665 -0.415278 -0.022316 -0.069798 0.297016 0.042899 34O 5s 0.940801 -0.308388 2.038761 0.258485 0.663987 -0.324381 34O 1pz 0.076811 -0.049380 0.042046 0.046073 -0.065014 -0.046717 34O 1px -0.010039 0.035928 -0.005455 0.012062 0.015612 -0.027730 34O 1py -0.064438 -0.026576 -0.072441 0.012317 -0.103077 -0.048815 34O 2pz -0.070533 0.020248 -0.034913 -0.031165 0.051789 0.047687 34O 2px 0.216867 -0.342219 0.176059 -0.035240 0.216078 0.061757 34O 2py -0.003629 0.185810 0.017559 -0.024190 0.100234 0.027829 34O 3pz -0.182520 0.072120 -0.204344 -0.084250 -0.168047 0.007851 34O 3px -0.082840 0.156443 0.171479 0.059455 0.247908 -0.211115 34O 3py 0.092589 -0.149927 0.299498 -0.074497 -0.060240 -0.072752 34O 1dz2 0.002977 0.000651 -0.004291 0.001317 -0.000288 -0.002611 34O 1dxz -0.000484 -0.004488 0.001769 0.001678 0.000111 0.001785 34O 1dyz 0.001545 0.010554 -0.003783 -0.000847 -0.002090 -0.001708 34O 1dx2y2 -0.002489 0.008457 0.002035 -0.000876 0.000025 -0.003267 34O 1dxy 0.001445 0.007037 -0.004745 -0.000378 0.000050 -0.001044 34O 2dz2 0.052629 -0.024368 -0.117586 0.008229 -0.054640 0.011552 34O 2dxz 0.113484 -0.069124 0.180172 0.063288 -0.036869 -0.017365 34O 2dyz -0.021951 0.005038 -0.169266 -0.005715 -0.071515 0.039914 34O 2dx2y2 -0.065354 0.026860 -0.075792 0.013368 0.000491 -0.034060 34O 2dxy -0.170480 0.083261 -0.281150 -0.021817 -0.112152 -0.018760 34O 1f0 0.001976 0.002734 -0.004946 0.001074 0.001160 0.003047 34O 1f+1 -0.005380 0.007796 -0.002356 0.004703 -0.008286 -0.000474 34O 1f-1 0.002084 -0.004868 -0.000324 -0.001496 0.001258 0.002896 34O 1f+2 0.004363 0.000691 -0.005812 0.000687 -0.001146 0.000535 34O 1f-2 0.000265 0.009106 -0.002266 -0.002861 0.001728 0.001078 34O 1f+3 -0.000646 -0.007543 -0.001442 0.002077 -0.011865 0.004749 34O 1f-3 -0.002207 -0.004649 -0.001017 0.003155 0.002863 0.004742 35O 1s -0.005466 -0.002905 0.000714 -0.000074 0.001513 0.000821 35O 2s -0.014275 -0.009307 0.001778 0.000264 0.003211 0.002537 35O 3s -0.000208 0.051711 0.017361 0.036433 0.020536 0.002042 35O 4s 0.513791 -0.053718 -0.048926 -0.452492 -0.152212 -0.203956 35O 5s 0.334716 -0.429204 -2.264501 -0.490333 -0.650230 0.056950 35O 1pz 0.046508 0.028834 -0.090892 0.008832 -0.121414 -0.084003 35O 1px -0.021229 -0.015998 0.015497 0.061632 -0.068665 -0.054515 35O 1py 0.008757 -0.011856 -0.034584 -0.038773 0.104443 0.130361 35O 2pz -0.007676 -0.044906 0.057079 -0.134843 0.168342 0.065362 35O 2px 0.346739 -0.007113 -0.244788 -0.387396 -0.049199 -0.039267 35O 2py 0.137405 -0.006280 -0.081221 -0.146770 -0.181386 -0.200447 35O 3pz 0.103390 0.048842 0.335773 0.186127 -0.151379 -0.122871 35O 3px 0.209927 -0.228689 -0.290442 0.072024 -0.232017 -0.064772 35O 3py 0.032977 0.039383 0.095721 0.118072 0.099575 0.026474 35O 1dz2 0.000543 -0.001227 0.000311 -0.008403 0.001505 -0.004519 35O 1dxz -0.003083 0.000013 -0.001949 -0.004091 0.003316 -0.000519 35O 1dyz 0.001326 -0.002106 -0.004313 -0.014724 -0.000477 -0.003156 35O 1dx2y2 -0.001256 0.000525 -0.001081 0.005088 -0.001538 0.001785 35O 1dxy -0.003576 -0.001443 -0.004338 -0.001875 -0.001203 -0.000744 35O 2dz2 -0.042500 0.018864 -0.075838 0.002582 -0.014807 0.010012 35O 2dxz 0.058281 -0.001751 -0.230735 -0.082050 -0.087063 -0.069236 35O 2dyz 0.056562 -0.012117 -0.270539 -0.054945 -0.121324 0.033676 35O 2dx2y2 0.010097 0.001566 0.079623 0.060266 -0.064796 -0.071090 35O 2dxy 0.010741 -0.046072 -0.188234 -0.044110 -0.013523 0.057792 35O 1f0 -0.004311 0.002518 -0.001900 0.003917 -0.000481 0.002367 35O 1f+1 -0.001659 -0.000686 0.003781 -0.005808 0.009691 -0.003680 35O 1f-1 -0.010477 -0.000781 -0.003139 -0.003190 0.004072 0.001069 35O 1f+2 0.004207 0.001945 0.002058 0.002326 -0.000381 -0.002126 35O 1f-2 0.004240 -0.002646 -0.000468 -0.012187 0.003142 -0.003970 35O 1f+3 -0.004290 0.000865 0.001777 -0.001689 0.000099 0.001351 35O 1f-3 -0.012835 -0.003854 0.005683 0.007941 0.008287 0.000535 444 445 446 447 448 449 2.55590 2.56039 2.56045 2.58506 2.59916 2.60507 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s -0.000741 0.000464 0.001997 0.002653 0.002672 -0.001350 0Rh 2s 0.003774 -0.003364 -0.011814 -0.011599 -0.015945 0.008454 0Rh 3s -0.002081 0.000691 0.004609 0.008616 0.006085 -0.002834 0Rh 4s -0.019471 0.017411 0.061102 0.059900 0.082633 -0.043849 0Rh 5s 0.029975 -0.033149 -0.105282 -0.080738 -0.143383 0.078240 0Rh 6s 0.007651 0.022947 0.030738 -0.078928 0.042833 -0.031856 0Rh 7s -0.034690 -0.039214 -0.048575 0.480022 -0.026032 0.073348 0Rh 8s -0.093397 -0.145543 -0.263951 -0.111304 0.494458 -0.112602 0Rh 1pz 0.003578 -0.001472 -0.001667 -0.001249 -0.002129 -0.000858 0Rh 1px 0.001758 -0.000184 -0.003869 -0.000469 -0.006225 0.001821 0Rh 1py -0.004149 -0.004522 0.003056 0.000013 -0.000833 -0.002402 0Rh 2pz -0.012990 0.005369 0.006195 0.004026 0.007908 0.003056 0Rh 2px -0.006477 0.000567 0.013968 0.002373 0.022395 -0.006600 0Rh 2py 0.014961 0.016472 -0.011206 0.000103 0.002872 0.008780 0Rh 3pz 0.015609 -0.006611 -0.010464 0.005581 -0.013187 -0.001657 0Rh 3px 0.009540 0.001491 -0.014622 -0.016412 -0.021222 0.007461 0Rh 3py -0.014955 -0.020505 0.015545 -0.003270 -0.000050 -0.011624 0Rh 4pz 0.024932 -0.012135 0.001365 -0.049536 0.000616 -0.019638 0Rh 4px 0.006750 -0.010515 -0.039226 0.048692 -0.076371 0.015962 0Rh 4py -0.048371 -0.031614 0.014657 0.012931 -0.021202 -0.013071 0Rh 5pz -0.031663 0.029390 -0.012408 0.084364 -0.016205 0.064065 0Rh 5px -0.014458 0.018081 0.069101 -0.073216 0.177639 -0.029394 0Rh 5py 0.112774 0.055977 -0.026267 -0.024702 0.045895 0.015507 0Rh 6pz -0.395948 -0.033225 0.159124 -0.268515 0.234228 -0.355033 0Rh 6px -0.096966 0.043311 0.327916 -0.087994 -0.982688 0.030324 0Rh 6py -0.206845 0.301928 -0.030957 0.044133 -0.206817 0.235159 0Rh 1dz2 -0.005388 0.006206 -0.000421 0.001284 -0.004082 0.002905 0Rh 1dxz 0.003993 -0.001950 -0.001174 0.006231 -0.013464 0.007360 0Rh 1dyz -0.005440 0.013719 -0.010044 0.002450 -0.002502 0.003581 0Rh 1dx2y2 0.000578 0.000496 -0.009021 -0.002114 0.007343 -0.000266 0Rh 1dxy 0.001470 0.002417 -0.005321 -0.003278 0.002432 -0.001339 0Rh 2dz2 -0.001002 0.002798 -0.002135 -0.000822 -0.001574 -0.000629 0Rh 2dxz 0.000493 -0.001225 -0.002555 -0.002232 -0.002582 0.002547 0Rh 2dyz -0.003974 0.007788 -0.002128 0.000490 -0.000115 -0.000802 0Rh 2dx2y2 -0.001685 0.001628 0.003376 0.003084 0.003156 -0.001283 0Rh 2dxy -0.001604 0.004416 0.000409 0.001679 0.001558 -0.001347 0Rh 3dz2 0.019881 -0.030322 0.010955 0.000183 0.018725 -0.005626 0Rh 3dxz -0.013626 0.011132 0.015044 -0.007719 0.050164 -0.032530 0Rh 3dyz 0.033450 -0.074335 0.037978 -0.009302 0.007539 -0.006616 0Rh 3dx2y2 0.005949 -0.008927 0.010154 -0.008105 -0.035262 0.006614 0Rh 3dxy 0.003135 -0.026745 0.013042 0.001714 -0.014032 0.009947 0Rh 4dz2 -0.017233 0.044096 -0.034306 -0.014002 -0.023595 -0.006425 0Rh 4dxz 0.009152 -0.020002 -0.041862 -0.031498 -0.040612 0.039563 0Rh 4dyz -0.062048 0.123211 -0.031338 0.009689 0.000199 -0.010633 0Rh 4dx2y2 -0.024878 0.027450 0.053142 0.048701 0.048824 -0.019908 0Rh 4dxy -0.024789 0.066233 0.008992 0.025579 0.024550 -0.020686 0Rh 5dz2 0.026093 -0.097790 0.119611 0.064271 0.007017 0.041104 0Rh 5dxz -0.005599 0.062752 0.161596 0.142642 -0.030439 -0.062890 0Rh 5dyz 0.171873 -0.323532 -0.011296 -0.028427 -0.053432 0.059733 0Rh 5dx2y2 0.079413 -0.111663 -0.281660 -0.188117 -0.035768 0.042825 0Rh 5dxy 0.094350 -0.195135 -0.111358 -0.118927 -0.047735 0.053350 0Rh 1f0 0.021273 0.021759 -0.006197 -0.001610 -0.014469 0.042267 0Rh 1f+1 -0.004473 0.014896 0.006139 0.021469 0.040682 0.046544 0Rh 1f-1 -0.034118 0.015499 0.010063 0.015192 0.038385 0.016206 0Rh 1f+2 0.037026 -0.020774 -0.111019 -0.024183 -0.058481 0.003953 0Rh 1f-2 -0.007960 0.044005 -0.039834 0.010170 0.005190 0.034182 0Rh 1f+3 -0.024460 -0.023940 0.003745 0.012486 0.035139 -0.013255 0Rh 1f-3 0.019802 -0.023215 -0.038469 -0.006039 0.006355 0.015112 1Rh 1s -0.000662 -0.000944 -0.001904 0.002687 -0.002653 0.001337 1Rh 2s 0.003298 0.005060 0.011608 -0.011801 0.015812 -0.008528 1Rh 3s -0.001904 -0.002495 -0.004186 0.008695 -0.006055 0.002714 1Rh 4s -0.017014 -0.026158 -0.060034 0.060947 -0.081946 0.044223 1Rh 5s 0.025709 0.042436 0.105099 -0.082566 0.142131 -0.079543 1Rh 6s 0.009016 -0.001306 -0.037435 -0.078276 -0.042318 0.034810 1Rh 7s -0.036331 -0.001083 0.054364 0.478101 0.029318 -0.070623 1Rh 8s -0.100085 0.055321 0.291633 -0.115647 -0.503191 0.088553 1Rh 1pz -0.003497 -0.000103 -0.002715 0.001357 -0.002347 -0.000955 1Rh 1px -0.001581 -0.002401 -0.003268 0.000545 -0.006230 0.001966 1Rh 1py 0.003874 0.005486 -0.000229 -0.000031 -0.000860 -0.002383 1Rh 2pz 0.012689 0.000447 0.009980 -0.004417 0.008697 0.003405 1Rh 2px 0.005836 0.008751 0.011756 -0.002649 0.022408 -0.007122 1Rh 2py -0.013956 -0.020020 0.000787 -0.000039 0.002969 0.008728 1Rh 3pz -0.015082 -0.002391 -0.014357 -0.005123 -0.014075 -0.002026 1Rh 3px -0.008840 -0.010896 -0.011353 0.016700 -0.021202 0.007993 1Rh 3py 0.013617 0.025729 -0.000004 0.003217 -0.000197 -0.011884 1Rh 4pz -0.025010 0.009154 -0.010483 0.050397 -0.001270 -0.020705 1Rh 4px -0.005073 -0.017165 -0.037121 -0.047913 -0.076481 0.017494 1Rh 4py 0.046811 0.035095 -0.005391 -0.013215 -0.021230 -0.011593 1Rh 5pz 0.031980 -0.028875 0.014895 -0.085832 -0.012889 0.066710 1Rh 5px 0.011442 0.030644 0.065136 0.071861 0.177703 -0.031448 1Rh 5py -0.110139 -0.063467 0.007333 0.025598 0.045700 0.012277 1Rh 6pz 0.386702 0.136496 0.143534 0.264684 0.235455 -0.358425 1Rh 6px 0.084270 0.180080 0.293073 0.080883 -0.984039 0.012451 1Rh 6py 0.216241 -0.233007 0.178564 -0.057895 -0.197080 0.284082 1Rh 1dz2 -0.005730 0.004798 -0.004088 0.001515 0.004041 -0.002656 1Rh 1dxz 0.003870 -0.000672 0.002526 0.006253 0.013395 -0.008051 1Rh 1dyz -0.006173 0.016866 -0.001502 0.002515 0.002278 -0.004035 1Rh 1dx2y2 -0.000026 0.006121 0.006708 -0.002142 -0.007310 0.000369 1Rh 1dxy 0.001245 0.005334 0.002528 -0.003366 -0.002344 0.002104 1Rh 2dz2 -0.000958 0.003509 -0.000165 -0.000836 0.001513 0.000579 1Rh 2dxz 0.000391 0.000703 0.002760 -0.002285 0.002561 -0.002721 1Rh 2dyz -0.003762 0.007272 -0.003538 0.000502 0.000073 0.000672 1Rh 2dx2y2 -0.001510 -0.000978 -0.003760 0.003161 -0.003182 0.001047 1Rh 2dxy -0.001445 0.003086 -0.003233 0.001701 -0.001570 0.001290 1Rh 3dz2 0.020652 -0.029593 0.012307 -0.000407 -0.018343 0.005119 1Rh 3dxz -0.012807 -0.001335 -0.019820 -0.007539 -0.049873 0.035257 1Rh 3dyz 0.034536 -0.080790 0.020488 -0.009539 -0.006703 0.008535 1Rh 3dx2y2 0.006863 -0.012954 -0.001798 -0.008377 0.035281 -0.005861 1Rh 3dxy 0.003038 -0.028892 0.007555 0.001865 0.013835 -0.011880 1Rh 4dz2 -0.016617 0.055653 -0.002227 -0.014235 0.022841 0.006027 1Rh 4dxz 0.007380 0.011638 0.045361 -0.032365 0.040336 -0.041833 1Rh 4dyz -0.058375 0.113547 -0.057652 0.009839 -0.000956 0.008060 1Rh 4dx2y2 -0.022159 -0.013953 -0.060164 0.049960 -0.049158 0.016576 1Rh 4dxy -0.022118 0.044456 -0.050715 0.025907 -0.024692 0.019988 1Rh 5dz2 0.020667 -0.152544 -0.031039 0.067506 -0.006001 -0.039727 1Rh 5dxz 0.001461 -0.055813 -0.163637 0.146512 0.029977 0.061390 1Rh 5dyz 0.147225 -0.237699 0.221054 -0.027692 0.054336 -0.051696 1Rh 5dx2y2 0.063974 0.097647 0.293362 -0.193688 0.037056 -0.031612 1Rh 5dxy 0.080260 -0.075921 0.214538 -0.120713 0.048654 -0.044413 1Rh 1f0 -0.018448 -0.020699 0.007142 0.000687 -0.014909 0.041718 1Rh 1f+1 0.003261 -0.007334 0.014527 -0.021756 0.041406 0.051660 1Rh 1f-1 0.037105 -0.002722 0.021969 -0.016888 0.040275 0.016416 1Rh 1f+2 -0.030880 -0.056559 -0.103122 0.026248 -0.059693 0.002341 1Rh 1f-2 0.009904 -0.057799 -0.002676 -0.010313 0.005537 0.036045 1Rh 1f+3 0.023008 0.020715 -0.009633 -0.012017 0.036321 -0.010582 1Rh 1f-3 -0.015295 -0.006372 -0.045526 0.006238 0.006156 0.013048 2C 1s -0.000807 0.003925 -0.001072 -0.001556 0.000352 0.000577 2C 2s -0.001235 0.011412 -0.001211 -0.005632 0.003251 0.001206 2C 3s 0.136659 -0.416190 0.142438 0.067540 0.018963 0.090247 2C 4s -0.707092 1.818577 -0.764631 -0.031369 -0.283554 -0.599423 2C 5s -0.685903 1.011620 -0.735061 0.040223 -0.177339 0.133999 2C 1pz -0.013668 -0.126153 0.000459 0.021770 0.032891 -0.002677 2C 1px 0.070946 -0.123838 0.094489 0.114582 -0.043065 0.021624 2C 1py 0.126448 -0.077559 0.116112 -0.000740 0.002625 0.036646 2C 2pz -0.909221 0.890239 -0.714666 -0.173508 0.352867 -0.514437 2C 2px 0.003892 -0.816836 -0.214499 1.214496 -1.489575 0.461747 2C 2py 0.589711 0.704423 0.363738 -0.130916 -0.236505 0.037185 2C 3pz -0.049177 0.330095 -0.065693 0.019709 -0.031076 -0.040516 2C 3px -0.058135 0.141542 -0.067612 -0.083895 0.152859 0.009017 2C 3py -0.244382 0.165991 -0.231711 0.078215 -0.045301 -0.019015 2C 1dz2 -0.082173 0.041563 -0.075828 -0.007702 0.005522 -0.017315 2C 1dxz -0.028179 -0.096137 -0.039235 0.101958 -0.127340 0.044666 2C 1dyz -0.018214 0.103988 -0.022851 -0.063653 0.038659 -0.034803 2C 1dx2y2 -0.066661 0.011132 -0.031909 -0.054283 0.082440 -0.029266 2C 1dxy 0.077032 -0.017719 0.042234 0.021265 -0.072433 0.048035 2C 2dz2 0.480663 0.077255 0.426883 0.048169 -0.060484 0.007293 2C 2dxz -0.026288 0.691638 -0.073691 -0.641783 0.520296 -0.215872 2C 2dyz -0.192756 -0.086907 -0.184934 0.322575 -0.323667 0.057875 2C 2dx2y2 0.430924 -0.150948 0.237601 0.133545 -0.442174 0.351791 2C 2dxy -0.549610 0.227525 -0.461713 -0.228130 0.228126 -0.148157 2C 1f0 0.104171 -0.022188 0.087032 0.054839 -0.082508 0.053423 2C 1f+1 -0.059382 -0.057162 -0.044877 0.051456 -0.026311 -0.010900 2C 1f-1 -0.070750 0.080978 -0.054882 -0.040527 0.041710 -0.036742 2C 1f+2 -0.007649 0.015094 0.012101 -0.088243 0.082014 -0.007215 2C 1f-2 0.019571 0.074871 -0.005808 -0.067932 0.007383 -0.003502 2C 1f+3 0.102052 -0.007812 0.086572 -0.019625 -0.004005 0.026898 2C 1f-3 0.022784 -0.086012 0.018476 0.107859 -0.071827 0.012251 3C 1s 0.002357 -0.003655 0.000561 -0.002657 -0.000058 -0.001249 3C 2s 0.006725 -0.009231 0.002508 -0.008619 0.001506 -0.004214 3C 3s -0.177716 0.409975 -0.040203 0.161711 0.054208 -0.023486 3C 4s 0.692931 -1.943314 0.008560 -0.419494 -0.424756 0.348388 3C 5s 0.424725 -1.333162 0.435918 -0.243993 0.053504 -0.093687 3C 1pz 0.028890 0.055694 0.033884 -0.044060 0.025409 -0.013993 3C 1px 0.058605 0.246281 0.102041 0.113831 -0.047175 -0.043483 3C 1py 0.124631 -0.093646 0.082868 -0.072581 -0.030292 -0.001959 3C 2pz 0.858563 -0.578981 0.538102 -0.817007 0.414944 -0.111399 3C 2px 0.691067 0.645308 0.269342 0.872703 -1.612127 0.243637 3C 2py 0.353080 1.264226 0.445519 0.095505 -0.181925 -0.279351 3C 3pz -0.051164 -0.204137 -0.005824 0.077859 -0.060936 0.040645 3C 3px -0.008497 -0.325266 -0.104233 -0.105880 0.031597 -0.054696 3C 3py -0.236698 0.276541 -0.210446 0.085681 -0.035066 0.039141 3C 1dz2 0.001472 -0.011329 0.011409 -0.011356 0.051351 -0.004245 3C 1dxz 0.101970 0.110780 0.065697 0.073685 -0.158424 0.002992 3C 1dyz -0.064248 0.110218 -0.026734 0.104352 -0.060903 0.013153 3C 1dx2y2 0.081578 0.091554 0.064982 -0.007362 0.001872 -0.013963 3C 1dxy -0.013782 -0.013120 0.008308 -0.031143 0.056656 -0.013260 3C 2dz2 -0.112856 0.229310 -0.073461 0.260893 -0.146046 -0.005876 3C 2dxz -0.563322 -0.862331 -0.464083 -0.358224 0.736271 0.096412 3C 2dyz 0.192080 -0.193565 0.120308 -0.496699 0.411097 -0.098871 3C 2dx2y2 -0.641764 -0.394622 -0.554588 0.029964 0.006480 0.075856 3C 2dxy 0.024569 0.711020 0.231371 0.389867 -0.092959 -0.070970 3C 1f0 -0.102753 -0.031931 -0.079981 0.055249 0.006135 0.021237 3C 1f+1 0.023044 0.108433 0.030046 0.104854 -0.091422 0.002098 3C 1f-1 0.075885 0.039844 0.065770 -0.044607 -0.030663 -0.017952 3C 1f+2 -0.010558 0.124563 0.023164 0.039134 -0.003731 -0.010159 3C 1f-2 -0.038971 -0.015561 -0.022015 -0.036142 0.062269 -0.013930 3C 1f+3 -0.104200 -0.109990 -0.092300 -0.015487 0.063712 0.029240 3C 1f-3 -0.011067 -0.114479 -0.018463 -0.119330 0.116213 0.012909 4C 1s -0.000666 -0.002125 -0.001617 0.001351 -0.001305 0.001164 4C 2s 0.001033 -0.014642 -0.000827 0.007416 -0.003102 0.003938 4C 3s -0.167522 0.543914 -0.110785 -0.158986 0.124549 -0.100114 4C 4s 0.773906 -2.138008 0.538112 0.388947 -0.639871 0.565811 4C 5s 0.425193 -0.611086 0.601898 0.193142 -0.313875 0.058277 4C 1pz 0.007674 -0.010864 0.028410 -0.027210 0.024519 0.023961 4C 1px -0.017454 0.070926 -0.035245 -0.036696 -0.037111 0.042139 4C 1py 0.003567 0.014000 -0.008424 -0.029601 0.000652 0.024700 4C 2pz -0.192943 0.469138 -0.312710 0.163656 -0.269933 -0.118458 4C 2px -0.216477 -0.188330 -0.106597 0.051657 -0.044014 -0.609264 4C 2py -0.113740 0.260525 -0.133477 0.070427 -0.176292 -0.268638 4C 3pz -0.461846 0.991068 -0.415273 0.154330 -0.143790 -0.050738 4C 3px -0.058813 0.252449 0.118740 -0.066897 -0.003434 -0.312079 4C 3py -0.176587 0.726581 -0.154797 0.044404 -0.048001 -0.118063 4C 1dz2 -0.007554 0.055600 -0.044933 -0.005178 -0.038094 -0.017708 4C 1dxz 0.012094 0.035914 0.011071 -0.023473 0.010506 0.016382 4C 1dyz -0.053965 0.086192 -0.042393 0.015004 -0.019866 -0.027879 4C 1dx2y2 0.028152 0.004113 0.042519 0.008907 0.022356 -0.007770 4C 1dxy -0.032190 0.029523 -0.031899 0.027118 -0.008737 0.011219 4C 2dz2 0.297232 -0.147267 0.358606 -0.145986 0.301979 0.151305 4C 2dxz -0.152516 -0.044520 -0.204276 -0.117055 -0.171146 0.050802 4C 2dyz 0.196379 -0.398405 0.217627 -0.021086 0.095695 0.112237 4C 2dx2y2 0.031578 -0.042661 -0.018330 0.158529 -0.210562 -0.081573 4C 2dxy -0.186173 -0.175167 -0.256353 0.089247 -0.230282 -0.067279 4C 1f0 -0.094114 0.034936 -0.051293 -0.034310 0.048835 -0.023444 4C 1f+1 -0.004264 0.015666 -0.007744 0.016375 -0.037260 0.040551 4C 1f-1 0.028503 -0.013702 0.038701 0.000440 0.037876 -0.005835 4C 1f+2 0.019632 -0.062629 0.001178 0.024996 -0.039730 0.016865 4C 1f-2 0.003189 -0.048695 0.002593 0.034291 -0.051914 0.027998 4C 1f+3 -0.023622 -0.034352 -0.005057 0.022710 -0.024678 0.021207 4C 1f-3 0.004558 0.067396 0.017158 -0.037829 0.040514 -0.016172 5C 1s -0.001036 0.000899 0.000033 0.001993 0.000381 0.001434 5C 2s -0.007143 0.010976 -0.001231 0.011372 0.002566 0.003585 5C 3s 0.218440 -0.482747 0.101452 -0.340968 -0.012156 -0.041256 5C 4s -0.769756 1.965109 -0.395633 1.203755 -0.040537 0.042349 5C 5s -0.288180 0.777226 -0.353086 0.584169 -0.244714 -0.061550 5C 1pz 0.023173 0.020259 0.014987 -0.013902 0.023993 -0.014552 5C 1px -0.034986 -0.053939 -0.023230 -0.058317 -0.055666 -0.018814 5C 1py -0.022854 -0.018000 -0.039132 0.042065 -0.019369 0.037513 5C 2pz 0.098445 -0.301289 -0.051657 0.028147 -0.231604 -0.006192 5C 2px 0.182874 -0.239966 0.064102 0.170233 0.281028 0.610349 5C 2py -0.046001 0.581856 0.248944 -0.178188 0.279750 -0.216506 5C 3pz 0.373660 -0.662187 0.156306 -0.058895 -0.073992 -0.183919 5C 3px 0.085622 -0.248290 0.348335 -0.024132 0.181131 0.115861 5C 3py -0.389557 1.110220 -0.235660 0.052838 0.062998 0.174743 5C 1dz2 -0.019419 0.038944 -0.008467 -0.005670 0.011849 -0.003345 5C 1dxz -0.028754 -0.044755 -0.035740 -0.006688 -0.046741 -0.006850 5C 1dyz -0.012199 0.103055 0.026201 -0.002412 0.037410 -0.022786 5C 1dx2y2 -0.045938 0.042781 -0.015715 0.026671 0.011095 -0.025954 5C 1dxy -0.041294 0.046387 -0.016441 0.020913 0.003561 0.026992 5C 2dz2 0.064863 0.006519 0.145384 -0.102611 0.082859 -0.135975 5C 2dxz -0.088175 -0.179088 -0.135386 -0.163671 0.001950 0.063708 5C 2dyz 0.137190 -0.594929 -0.089708 -0.142264 -0.194904 0.218371 5C 2dx2y2 -0.093630 -0.511456 -0.389144 0.247182 -0.304260 0.376628 5C 2dxy 0.079396 0.098104 0.155274 0.030121 0.131348 -0.183107 5C 1f0 0.041567 -0.025965 0.017717 -0.026402 -0.004025 0.008832 5C 1f+1 0.028931 -0.061785 0.005955 -0.037937 0.017508 -0.002430 5C 1f-1 -0.048672 -0.020216 -0.048465 0.012624 -0.041097 0.013966 5C 1f+2 0.004281 0.000521 -0.012459 0.022312 -0.053787 0.008613 5C 1f-2 -0.010254 0.034745 0.010559 0.002546 0.026336 -0.007134 5C 1f+3 0.049843 0.072822 0.058096 0.013622 -0.034502 -0.019916 5C 1f-3 0.043450 0.108834 0.018060 0.050724 -0.076097 -0.000092 6C 1s -0.001013 0.000597 -0.000637 0.001983 -0.000391 -0.001503 6C 2s -0.006908 0.008926 -0.006464 0.011335 -0.002653 -0.003963 6C 3s 0.210579 -0.429891 0.241921 -0.339902 0.014991 0.062034 6C 4s -0.733132 1.748449 -0.987726 1.196523 0.030105 -0.144875 6C 5s -0.290343 0.828395 -0.250026 0.576012 0.250068 0.021176 6C 1pz -0.025035 -0.007168 0.022194 0.013971 0.023792 -0.014822 6C 1px 0.037643 0.028300 -0.048722 0.058431 -0.055953 -0.023412 6C 1py 0.027609 -0.009352 -0.039782 -0.041835 -0.019871 0.037397 6C 2pz -0.080453 0.197680 -0.236824 -0.028602 -0.231604 0.005548 6C 2px -0.183528 0.221378 -0.117220 -0.167309 0.275522 0.623005 6C 2py -0.000912 -0.293629 0.567213 0.173612 0.284764 -0.229318 6C 3pz -0.368442 0.596159 -0.325941 0.062202 -0.077771 -0.178873 6C 3px -0.096752 0.406417 0.108638 0.023492 0.169877 0.095812 6C 3py 0.378487 -0.988324 0.550883 -0.061126 0.065154 0.157812 6C 1dz2 -0.019023 0.034960 -0.018415 -0.005485 -0.011038 0.003584 6C 1dxz -0.032563 -0.012929 0.054410 -0.007281 0.046037 0.006877 6C 1dyz -0.007317 0.062643 -0.086781 -0.001116 -0.039022 0.018684 6C 1dx2y2 -0.046188 0.041865 -0.018414 0.026561 -0.011517 0.026124 6C 1dxy -0.039910 0.045264 -0.020215 0.020738 -0.004400 -0.027037 6C 2dz2 0.071702 -0.085483 -0.109331 -0.102310 -0.082707 0.142193 6C 2dxz -0.097160 -0.054776 0.207936 -0.164352 -0.004526 -0.059529 6C 2dyz 0.116117 -0.398503 0.454165 -0.144080 0.196706 -0.209759 6C 2dx2y2 -0.135334 -0.152302 0.616562 0.239439 0.303184 -0.394174 6C 2dxy 0.082248 -0.022404 -0.170665 0.033825 -0.125023 0.185083 6C 1f0 -0.042826 0.030387 -0.005855 0.026867 -0.004184 0.008989 6C 1f+1 -0.027343 0.050211 -0.035834 0.037772 0.017297 -0.002013 6C 1f-1 0.053598 -0.013897 -0.047676 -0.012421 -0.040039 0.016765 6C 1f+2 -0.002887 -0.008556 -0.010536 -0.022039 -0.054057 0.007254 6C 1f-2 0.008905 -0.018994 0.029843 -0.002843 0.026495 -0.005296 6C 1f+3 -0.057190 -0.020999 0.086434 -0.013252 -0.033789 -0.019554 6C 1f-3 -0.049756 -0.074349 0.079850 -0.050698 -0.075733 0.002060 7C 1s -0.000761 -0.000659 0.002529 0.001274 0.001294 -0.001235 7C 2s 0.000754 -0.010895 0.009953 0.007204 0.003148 -0.004065 7C 3s -0.162940 0.489356 -0.271276 -0.157649 -0.129245 0.084830 7C 4s 0.759904 -1.983558 0.998588 0.392514 0.663130 -0.466825 7C 5s 0.447301 -0.845537 -0.046305 0.210735 0.335031 0.021123 7C 1pz -0.006954 0.026450 0.013061 0.025343 0.023841 0.022167 7C 1px 0.016669 -0.077049 0.019330 0.037338 -0.036880 0.040308 7C 1py -0.002377 -0.016565 0.001841 0.029427 0.000815 0.024366 7C 2pz 0.181651 -0.560238 0.076999 -0.153826 -0.263591 -0.120340 7C 2px 0.226033 0.082942 -0.175482 -0.048891 -0.036524 -0.574791 7C 2py 0.103112 -0.284355 0.077854 -0.068178 -0.173041 -0.264892 7C 3pz 0.457960 -1.018045 0.345320 -0.153721 -0.132182 -0.065206 7C 3px 0.054593 -0.115005 0.253680 0.061824 -0.005494 -0.296681 7C 3py 0.168523 -0.653009 0.357535 -0.046756 -0.041590 -0.110718 7C 1dz2 -0.008050 0.070799 -0.001600 -0.005673 0.037916 0.018403 7C 1dxz 0.014716 0.020437 -0.030323 -0.023121 -0.009530 -0.014082 7C 1dyz -0.052556 0.093483 -0.026853 0.014466 0.019294 0.025291 7C 1dx2y2 0.031362 -0.024237 -0.032929 0.009494 -0.020673 0.007852 7C 1dxy -0.033219 0.042476 0.002979 0.026325 0.007176 -0.011334 7C 2dz2 0.297011 -0.334773 -0.151271 -0.136421 -0.293534 -0.145013 7C 2dxz -0.156562 0.090812 0.165517 -0.119094 0.161380 -0.060970 7C 2dyz 0.192283 -0.444702 0.103250 -0.018792 -0.091288 -0.098547 7C 2dx2y2 0.038951 -0.019298 0.038001 0.156177 0.207226 0.081034 7C 2dxy -0.190535 0.021990 0.284242 0.083417 0.227195 0.069652 7C 1f0 0.094892 -0.058011 -0.009409 0.034841 0.049245 -0.021719 7C 1f+1 0.007060 -0.018607 0.003224 -0.016633 -0.036269 0.040184 7C 1f-1 -0.027918 0.034268 0.018250 -0.001053 0.037406 -0.005588 7C 1f+2 -0.015830 0.046909 -0.041026 -0.025454 -0.040492 0.012726 7C 1f-2 -0.001657 0.039434 -0.029926 -0.035447 -0.052831 0.023831 7C 1f+3 0.025055 0.024608 -0.025159 -0.023630 -0.025223 0.021979 7C 1f-3 -0.007666 -0.040830 0.055648 0.037526 0.040019 -0.016636 8C 1s 0.002259 -0.003087 0.002053 -0.002628 0.000076 0.001196 8C 2s 0.006512 -0.008443 0.004367 -0.008493 -0.001476 0.004043 8C 3s -0.165286 0.336503 -0.241700 0.161951 -0.057279 0.017650 8C 4s 0.620708 -1.487440 1.276761 -0.425518 0.440672 -0.318846 8C 5s 0.430312 -1.293772 0.547687 -0.250262 -0.053873 0.083175 8C 1pz -0.035484 -0.022809 0.061723 0.042329 0.025785 -0.014004 8C 1px -0.072350 -0.128294 0.228769 -0.114989 -0.046318 -0.040905 8C 1py -0.128080 0.120761 -0.004452 0.071398 -0.030894 -0.002856 8C 2pz -0.887142 0.760729 0.004815 0.801402 0.403967 -0.122809 8C 2px -0.744697 -0.358353 0.560341 -0.866091 -1.595748 0.267249 8C 2py -0.443544 -0.712503 1.129006 -0.104008 -0.175856 -0.275964 8C 3pz 0.057664 0.155440 -0.133220 -0.073974 -0.060806 0.043016 8C 3px 0.023937 0.186341 -0.284081 0.107726 0.035456 -0.052011 8C 3py 0.244648 -0.338929 0.029576 -0.084506 -0.031375 0.047164 8C 1dz2 0.002652 -0.015339 -0.003739 -0.009776 -0.049352 0.004700 8C 1dxz 0.113852 0.047642 -0.113907 0.072322 0.156657 -0.003570 8C 1dyz -0.062466 0.100759 -0.053064 0.103818 0.060147 -0.016708 8C 1dx2y2 0.090085 0.032451 -0.102807 -0.006606 -0.003025 0.012602 8C 1dxy -0.013356 -0.016529 -0.000541 -0.031183 -0.058135 0.013359 8C 2dz2 -0.117181 0.216091 -0.085684 0.250674 0.134487 0.001952 8C 2dxz -0.640783 -0.393366 0.865111 -0.356610 -0.726804 -0.089069 8C 2dyz 0.198199 -0.222066 0.035008 -0.490811 -0.412495 0.108304 8C 2dx2y2 -0.694189 0.025929 0.632890 0.023308 -0.003090 -0.076652 8C 2dxy 0.055943 0.407381 -0.616313 0.393252 0.098133 0.066620 8C 1f0 0.110407 -0.023283 -0.074081 -0.055547 0.004126 0.021305 8C 1f+1 -0.029667 -0.066088 0.090811 -0.103872 -0.090338 0.003525 8C 1f-1 -0.083823 0.008401 0.070601 0.044196 -0.029913 -0.019095 8C 1f+2 0.003255 -0.081301 0.098450 -0.039030 -0.003277 -0.008921 8C 1f-2 0.042863 -0.001806 -0.023665 0.034327 0.062105 -0.012948 8C 1f+3 0.115418 0.028845 -0.132163 0.014501 0.060351 0.027402 8C 1f-3 0.017084 0.077673 -0.086216 0.119041 0.115927 0.011446 9C 1s -0.000770 0.003721 -0.001721 -0.001538 -0.000391 -0.000491 9C 2s -0.001074 0.009623 -0.006369 -0.005561 -0.003379 -0.000982 9C 3s 0.131779 -0.410753 0.165511 0.068394 -0.014537 -0.083880 9C 4s -0.683544 1.882741 -0.626988 -0.040526 0.264166 0.557561 9C 5s -0.703572 1.231602 -0.128019 0.029450 0.157871 -0.156102 9C 1pz 0.016719 0.097337 -0.077796 -0.019877 0.031580 -0.003570 9C 1px -0.066004 0.152591 -0.014933 -0.117065 -0.044681 0.017320 9C 1py -0.130188 0.133660 0.029674 -0.002929 0.001380 0.032880 9C 2pz 0.917617 -1.133570 0.089871 0.195585 0.361925 -0.474162 9C 2px 0.060399 0.479340 -0.701149 -1.223197 -1.479509 0.423176 9C 2py -0.642489 -0.312187 0.684096 0.112849 -0.229082 0.039242 9C 3pz 0.045482 -0.292637 0.161086 -0.021330 -0.030191 -0.031887 9C 3px 0.050269 -0.147362 0.047547 0.087902 0.158394 0.014091 9C 3py 0.254280 -0.273635 -0.052645 -0.072941 -0.038624 -0.019499 9C 1dz2 -0.084594 0.079669 0.024722 -0.009455 -0.007562 0.015609 9C 1dxz -0.036562 -0.048553 0.091860 0.104013 0.129666 -0.041385 9C 1dyz -0.015817 0.094115 -0.049508 -0.063616 -0.037624 0.032768 9C 1dx2y2 -0.069490 0.028221 0.013566 -0.054718 -0.081657 0.027440 9C 1dxy 0.076436 -0.037951 -0.015143 0.020872 0.068644 -0.044131 9C 2dz2 0.499166 -0.209296 -0.333013 0.063759 0.065492 -0.006748 9C 2dxz 0.022315 0.570280 -0.406112 -0.656150 -0.536890 0.197499 9C 2dyz -0.203489 0.052845 0.177892 0.315500 0.316837 -0.052612 9C 2dx2y2 0.450102 -0.267010 -0.059996 0.141637 0.439585 -0.331678 9C 2dxy -0.548649 0.453923 0.163967 -0.231919 -0.212635 0.122309 9C 1f0 -0.108343 0.070341 0.045040 -0.056795 -0.079768 0.050223 9C 1f+1 0.062517 0.018239 -0.066541 -0.053124 -0.029983 -0.008695 9C 1f-1 0.069740 -0.094849 0.014712 0.040374 0.041168 -0.033863 9C 1f+2 0.005430 -0.000665 0.018690 0.085676 0.080835 -0.005526 9C 1f-2 -0.021103 -0.061876 0.042124 0.069021 0.009792 -0.002894 9C 1f+3 -0.105531 0.056892 0.055223 0.021268 -0.001078 0.024256 9C 1f-3 -0.022289 0.079608 -0.042007 -0.108695 -0.073148 0.010367 10H 1s 0.025837 -0.035933 0.027352 0.100555 -0.063600 -0.010739 10H 2s -0.372434 0.992405 -0.131642 -1.433637 1.677479 -0.605913 10H 3s 0.156136 -0.232200 0.125274 0.374483 -0.400959 0.070796 10H 1pz 0.108272 0.101008 0.161746 -0.219465 0.306947 -0.108120 10H 1px 0.220422 -0.399758 0.173797 0.511592 -0.518824 0.167583 10H 1py -0.109453 -0.060937 -0.041064 0.025962 0.114897 -0.085525 11H 1s 0.048902 0.079918 0.025152 -0.091928 0.003012 0.031939 11H 2s -0.776804 -1.052612 -0.555777 0.991026 -0.542947 0.062115 11H 3s 0.297397 0.265882 0.260453 -0.271572 0.222776 -0.065170 11H 1pz -0.029205 -0.241580 -0.014139 0.234266 -0.161346 0.029489 11H 1px -0.313833 -0.175193 -0.258618 0.136249 -0.058837 0.027139 11H 1py 0.153808 0.306154 0.088840 -0.321340 0.166018 0.004450 12H 1s -0.128370 0.026915 -0.133701 -0.009709 0.021144 -0.033209 12H 2s 1.453846 -0.510463 1.140686 0.490374 -0.849598 0.616661 12H 3s -0.355641 0.080903 -0.294231 -0.063096 0.227296 -0.183999 12H 1pz -0.317439 0.070868 -0.263674 -0.075139 0.095847 -0.055141 12H 1px 0.246479 0.060978 0.168375 -0.113557 -0.042656 0.136879 12H 1py 0.412720 -0.244869 0.322576 0.252983 -0.317311 0.189080 13H 1s 0.022447 0.073019 0.030449 0.105441 -0.062216 0.002720 13H 2s -0.353442 -1.210608 -0.243830 -1.362874 1.753110 -0.134162 13H 3s 0.079134 0.390057 0.082776 0.382591 -0.401679 0.035971 13H 1pz -0.222439 -0.311764 -0.159716 -0.262813 0.438191 -0.025823 13H 1px 0.037559 0.466037 0.074692 0.476231 -0.410748 0.029640 13H 1py -0.110438 -0.170155 -0.182869 0.076981 -0.221001 0.061507 14H 1s -0.089994 -0.159561 -0.114977 -0.020843 0.031764 0.042108 14H 2s 1.281976 1.693417 1.054377 0.572622 -1.186068 -0.192322 14H 3s -0.359949 -0.416393 -0.359789 -0.091345 0.223696 0.052754 14H 1pz 0.106712 0.332709 0.077802 0.283006 -0.289385 0.007243 14H 1px 0.453063 0.476908 0.360026 0.074172 -0.334360 -0.086506 14H 1py 0.267200 0.359225 0.268562 0.128211 -0.077383 -0.017580 15H 1s 0.102051 -0.021887 0.078096 -0.105756 0.004650 -0.018249 15H 2s -1.201010 0.199907 -0.829989 1.005628 -0.304122 0.232409 15H 3s 0.352615 0.048438 0.239003 -0.283810 0.129199 -0.091970 15H 1pz 0.407066 -0.008005 0.311717 -0.306458 0.093728 -0.068578 15H 1px -0.170966 -0.224250 -0.164329 -0.120378 0.076648 -0.007962 15H 1py 0.205682 -0.149614 0.120461 -0.278614 0.098571 -0.056080 16H 1s -0.004440 -0.008409 0.064604 0.023603 0.000351 0.031020 16H 2s 0.118687 -0.065234 -0.016395 0.189620 0.505831 1.009491 16H 3s 0.008230 0.001301 0.148282 0.054532 0.079557 0.156124 16H 1pz 0.072702 -0.029293 0.089875 0.152213 0.332189 0.640771 16H 1px 0.017421 0.015585 -0.035001 -0.083958 -0.103870 -0.047326 16H 1py 0.017363 -0.046807 0.033448 0.095010 0.135166 0.282601 17H 1s -0.002900 0.044153 0.014185 0.048930 -0.005288 -0.042758 17H 2s -0.053024 0.018991 -0.227639 -0.169164 -0.065462 -1.055869 17H 3s 0.009991 0.105103 0.034758 0.087213 -0.013186 -0.200731 17H 1pz 0.024194 -0.067292 0.098479 0.088021 0.069273 0.417309 17H 1px 0.037794 -0.023446 0.047316 -0.011753 -0.010456 0.504790 17H 1py -0.025009 0.000735 -0.065697 -0.006301 -0.024906 -0.384768 18H 1s -0.005375 0.022882 -0.038170 0.050097 0.006739 0.048455 18H 2s -0.073560 0.165005 0.147899 -0.178537 0.086153 1.209951 18H 3s 0.006345 0.057290 -0.092195 0.088825 0.017248 0.222551 18H 1pz -0.034263 0.117864 0.026650 -0.090163 0.075388 0.482370 18H 1px -0.047199 0.047508 0.015390 0.009568 -0.000245 0.574592 18H 1py 0.035981 -0.037865 -0.045018 0.008097 -0.035357 -0.436169 19H 1s -0.001352 -0.049975 -0.045313 0.024185 0.000290 -0.032977 19H 2s 0.114188 -0.041306 0.062116 0.182078 -0.488095 -1.033382 19H 3s 0.015295 -0.095802 -0.116862 0.055520 -0.076678 -0.161960 19H 1pz -0.074594 0.081129 0.045644 -0.146571 0.318746 0.656610 19H 1px -0.017616 -0.037471 -0.017497 0.085369 -0.102293 -0.048983 19H 1py -0.016489 0.063876 -0.005696 -0.095129 0.132568 0.293529 20H 1s 0.108995 -0.062854 -0.039578 -0.104202 -0.005006 0.018769 20H 2s -1.270262 0.644868 0.441758 0.993037 0.306088 -0.251851 20H 3s 0.372384 -0.102459 -0.195400 -0.278061 -0.128351 0.103315 20H 1pz -0.433916 0.192553 0.209532 0.302948 0.094985 -0.075232 20H 1px 0.194739 0.073283 -0.256902 0.117453 0.074447 -0.008288 20H 1py -0.210253 0.186141 -0.014962 0.275871 0.098725 -0.061727 21H 1s -0.103279 -0.054184 0.183304 -0.022599 -0.030832 -0.040795 21H 2s 1.435649 0.687748 -1.798394 0.575870 1.163044 0.169205 21H 3s -0.405009 -0.106203 0.513824 -0.093627 -0.220452 -0.046270 21H 1pz -0.130089 -0.214062 0.266689 -0.281016 -0.286661 0.012532 21H 1px -0.500749 -0.154868 0.546277 -0.074772 -0.325364 -0.079789 21H 1py -0.301282 -0.115949 0.415073 -0.129507 -0.077346 -0.014132 22H 1s 0.025013 0.037499 -0.066536 0.105292 0.062347 -0.003281 22H 2s -0.419778 -0.798712 0.914256 -1.348373 -1.740000 0.152351 22H 3s 0.095390 0.253215 -0.301887 0.380121 0.402398 -0.035303 22H 1pz 0.248241 0.147017 -0.300934 0.258193 0.430873 -0.030816 22H 1px -0.060678 -0.317066 0.346915 -0.472077 -0.410197 0.034373 22H 1py 0.127423 0.017189 -0.239436 -0.076309 -0.221776 0.064812 23H 1s -0.133418 0.103633 0.074144 -0.013760 -0.021505 0.029461 23H 2s 1.491044 -1.095812 -0.438035 0.515553 0.833449 -0.564471 23H 3s -0.366514 0.243233 0.143992 -0.070811 -0.226886 0.174557 23H 1pz 0.326442 -0.216623 -0.131822 0.080747 0.097396 -0.050000 23H 1px -0.252046 0.051531 0.149121 0.113689 -0.035631 0.127088 23H 1py -0.422125 0.387465 0.061588 -0.258696 -0.311968 0.173145 24H 1s 0.053745 0.045847 -0.066413 -0.089693 -0.004062 -0.031220 24H 2s -0.861987 -0.460014 1.051909 0.987767 0.562529 -0.053970 24H 3s 0.325440 0.041018 -0.349743 -0.266891 -0.224537 0.061810 24H 1pz 0.040269 0.175794 -0.163667 -0.235625 -0.165567 0.025152 24H 1px 0.338682 -0.023086 -0.293064 -0.137919 -0.067223 0.026376 24H 1py -0.171052 -0.178944 0.251913 0.319844 0.167667 0.007450 25H 1s 0.024431 -0.043456 0.005064 0.100741 0.063535 0.011466 25H 2s -0.318927 0.829812 -0.576013 -1.451082 -1.676319 0.555829 25H 3s 0.147721 -0.251693 0.069293 0.381108 0.405606 -0.056021 25H 1pz -0.118988 0.022592 0.182046 0.221568 0.308366 -0.102367 25H 1px -0.205735 0.410468 -0.143295 -0.518659 -0.519280 0.150720 25H 1py 0.114046 0.026865 -0.065053 -0.029880 0.106274 -0.080622 26O 1s -0.000973 0.000530 -0.001288 0.003141 -0.002664 0.000171 26O 2s -0.002834 0.003593 -0.004325 0.008485 -0.008256 0.000393 26O 3s 0.008269 -0.067335 0.014230 -0.014560 0.023387 -0.010221 26O 4s 0.110393 0.242187 0.151757 -0.151064 0.164515 0.068107 26O 5s -0.066359 0.337207 0.008734 -0.279234 0.505527 0.495332 26O 1pz -0.057042 -0.068378 0.022682 0.103686 0.019734 -0.034293 26O 1px -0.062417 -0.011536 -0.035626 0.002479 -0.016334 0.024751 26O 1py 0.133893 -0.004024 0.114598 0.001083 0.060538 -0.054213 26O 2pz 0.070571 0.083800 -0.020933 -0.115024 -0.022851 -0.012093 26O 2px 0.030655 -0.164913 -0.033444 0.140265 -0.159973 -0.124006 26O 2py -0.180521 -0.068545 -0.185434 0.072801 -0.157208 0.017968 26O 3pz -0.104340 0.031301 0.025476 -0.024498 0.104882 -0.053537 26O 3px -0.203948 -0.048495 -0.173025 -0.137208 -0.126665 -0.206014 26O 3py 0.070966 -0.002407 0.220716 -0.164368 0.043863 -0.196586 26O 1dz2 -0.000458 0.001258 -0.001311 -0.001106 0.000546 0.000949 26O 1dxz -0.000671 -0.000292 -0.000849 -0.000986 0.001940 -0.000495 26O 1dyz 0.000764 0.000701 0.005976 0.000385 0.005373 -0.000361 26O 1dx2y2 -0.001989 -0.002423 -0.000977 0.005719 -0.002670 0.003497 26O 1dxy 0.000524 -0.001143 0.001181 0.004185 0.002287 0.000397 26O 2dz2 -0.039522 0.051436 -0.053122 -0.027816 -0.046627 -0.015717 26O 2dxz 0.043084 -0.013438 -0.012906 -0.018389 -0.058620 0.072373 26O 2dyz -0.035635 0.071275 -0.016857 -0.027422 -0.014849 0.014841 26O 2dx2y2 0.079099 0.003450 0.082179 0.045243 0.052638 0.030380 26O 2dxy -0.050457 0.012688 -0.060781 0.042085 0.023650 0.044140 26O 1f0 0.002888 -0.003179 0.003022 0.000064 -0.001364 0.000527 26O 1f+1 -0.002593 0.013489 -0.000470 -0.005167 0.001679 0.000663 26O 1f-1 0.005171 -0.001199 0.002133 -0.002585 -0.003130 -0.000413 26O 1f+2 0.000729 0.002900 0.004230 -0.001850 0.005874 -0.000736 26O 1f-2 -0.002744 0.002832 -0.004040 -0.000818 -0.002723 -0.000671 26O 1f+3 -0.001582 0.006296 -0.004129 -0.002324 0.001451 0.001611 26O 1f-3 -0.002918 0.011252 -0.001390 -0.006520 0.003901 0.004929 27O 1s -0.002397 -0.001324 -0.001005 0.003188 -0.002050 0.002074 27O 2s -0.006760 -0.004473 -0.002059 0.008581 -0.005567 0.006255 27O 3s 0.018551 0.026817 -0.025289 -0.011139 0.004175 -0.011198 27O 4s 0.057729 0.127149 0.311792 -0.136762 0.228757 -0.178179 27O 5s 0.144210 -0.126397 -0.051820 -0.766372 -0.258946 -0.727188 27O 1pz 0.109026 0.153075 0.120614 0.026354 0.086246 -0.017672 27O 1px -0.003519 0.003145 -0.005078 -0.002013 0.007516 -0.010897 27O 1py 0.115240 -0.010182 0.066201 -0.113353 -0.003227 0.010972 27O 2pz -0.118977 -0.180027 -0.134642 -0.033790 -0.094138 0.008182 27O 2px -0.049901 -0.019866 -0.153405 0.210451 -0.130709 0.204667 27O 2py -0.168821 0.017551 -0.062996 0.089634 -0.004335 -0.061049 27O 3pz 0.118596 0.170018 0.116085 -0.019707 0.056639 -0.020673 27O 3px -0.014919 -0.184402 -0.034873 0.039496 0.255125 0.309167 27O 3py 0.222318 0.097566 0.148793 0.046533 -0.104011 -0.036847 27O 1dz2 0.000925 0.000063 0.001168 -0.002998 0.001722 0.001464 27O 1dxz -0.000141 0.000507 0.001466 -0.002037 0.004137 0.000406 27O 1dyz -0.001741 -0.002257 -0.004654 -0.000246 -0.002366 0.001876 27O 1dx2y2 0.002944 0.000680 -0.000879 0.003686 -0.002489 0.000551 27O 1dxy 0.002043 0.000151 -0.001493 -0.001520 -0.003569 0.000304 27O 2dz2 -0.007221 0.025721 0.013103 0.001921 0.030484 0.040278 27O 2dxz -0.042034 -0.110653 -0.094085 -0.040823 -0.047166 0.022262 27O 2dyz -0.033292 0.120433 0.022346 0.051807 0.024498 -0.028122 27O 2dx2y2 -0.007674 0.069481 0.017349 0.034199 0.031907 -0.064240 27O 2dxy -0.084362 -0.018662 -0.037173 0.037382 0.081749 0.037516 27O 1f0 -0.000837 -0.002811 0.000726 0.001420 0.003013 0.001610 27O 1f+1 0.000494 -0.006064 0.002785 -0.008730 0.003039 -0.004230 27O 1f-1 0.001756 -0.003022 -0.000000 -0.000235 -0.001851 0.000085 27O 1f+2 -0.003110 -0.009566 -0.000679 -0.003805 -0.000301 -0.002999 27O 1f-2 -0.002938 0.003705 0.001259 0.000874 0.004961 -0.002623 27O 1f+3 0.009035 -0.009516 0.004446 -0.009388 -0.001473 -0.003733 27O 1f-3 -0.002385 -0.002145 -0.001361 0.001632 0.003795 -0.000683 28O 1s -0.000561 -0.001313 0.000475 0.002453 0.000295 -0.000944 28O 2s -0.003482 -0.003588 -0.000728 0.008620 -0.000735 -0.002131 28O 3s 0.055780 -0.001164 0.040731 -0.051936 0.022148 0.000518 28O 4s -0.240757 0.018497 -0.241620 0.093973 -0.174000 0.117145 28O 5s -0.013820 0.228479 0.105983 -0.595072 0.571608 -0.740927 28O 1pz 0.042500 -0.075077 0.030300 0.052787 -0.055520 0.030873 28O 1px -0.019495 -0.009642 -0.051002 0.020130 -0.058000 0.029502 28O 1py -0.054896 -0.041313 -0.094394 0.033475 -0.071900 0.002746 28O 2pz -0.009298 0.062238 -0.043942 0.021267 0.026185 -0.045396 28O 2px -0.074667 0.076868 -0.026417 -0.069957 0.037490 -0.044898 28O 2py 0.057655 0.058271 0.101149 -0.017670 0.064398 -0.011129 28O 3pz 0.214775 -0.162506 0.148600 0.094192 -0.421331 0.461798 28O 3px -0.177463 0.011848 -0.149352 -0.118909 0.145781 -0.275642 28O 3py -0.094504 -0.067019 -0.169934 0.050112 -0.196746 0.071209 28O 1dz2 0.001178 -0.001507 0.004498 -0.001894 0.002623 0.001788 28O 1dxz 0.000596 -0.001319 0.001988 -0.001598 0.000314 0.002452 28O 1dyz 0.001455 0.001540 0.001968 -0.005306 0.002307 0.002329 28O 1dx2y2 -0.002076 0.003091 -0.001624 0.000276 0.000718 -0.004246 28O 1dxy -0.001073 0.002040 -0.002082 -0.000772 0.000383 0.000036 28O 2dz2 -0.012688 0.074776 0.035761 -0.107054 0.145797 -0.050832 28O 2dxz 0.067563 -0.046371 0.058460 0.034230 -0.032122 0.084835 28O 2dyz 0.034018 0.127685 0.055897 -0.116398 0.089455 -0.010976 28O 2dx2y2 -0.054083 0.010042 -0.071337 0.037308 -0.063298 -0.029800 28O 2dxy -0.059361 0.009022 -0.084201 0.026754 -0.054757 0.030634 28O 1f0 -0.002467 0.006001 -0.007144 -0.000807 0.000609 -0.004386 28O 1f+1 -0.001065 0.004102 0.003999 -0.004161 0.009323 -0.000998 28O 1f-1 -0.002156 0.004455 -0.002728 -0.001887 0.001088 -0.003856 28O 1f+2 0.005377 -0.008348 0.003225 0.003676 -0.003225 0.003448 28O 1f-2 -0.000026 -0.002116 0.001385 0.000532 0.002655 0.001612 28O 1f+3 0.001647 -0.002895 0.000604 0.001523 0.002149 -0.000250 28O 1f-3 -0.000792 0.004597 -0.001656 -0.001023 0.000654 0.001706 29O 1s 0.000346 0.001223 0.003049 0.002132 0.008918 -0.002821 29O 2s 0.000983 0.004043 0.010348 0.005528 0.026379 -0.008918 29O 3s -0.001536 -0.025167 -0.069783 -0.002799 -0.080210 0.041389 29O 4s -0.004744 0.038417 0.090959 -0.068625 -0.165177 -0.003677 29O 5s -0.042923 -0.046911 0.036657 -0.079804 0.067018 -0.009045 29O 1pz 0.035732 -0.082030 0.153226 0.111461 0.176677 0.462676 29O 1px 0.040691 -0.070203 -0.080416 -0.168965 -0.100921 0.255341 29O 1py 0.008091 0.004380 -0.049095 0.007785 -0.037768 -0.005963 29O 2pz 0.030208 0.058145 -0.091397 0.003547 0.047295 0.239280 29O 2px -0.037401 0.081203 0.188565 0.273729 0.161771 -0.021525 29O 2py -0.011792 -0.000372 0.038678 0.023388 0.158894 -0.094562 29O 3pz 0.075897 -0.087716 0.161986 0.142641 0.306401 0.831272 29O 3px 0.033563 -0.120219 -0.118145 -0.124770 -0.197768 0.424900 29O 3py 0.046555 0.030108 -0.059627 -0.005684 0.007363 -0.083399 29O 1dz2 0.001262 -0.000038 0.001518 0.002571 0.006738 0.015204 29O 1dxz -0.000847 0.000922 -0.002478 -0.002217 -0.001953 -0.015750 29O 1dyz 0.001575 0.000413 0.002418 0.003975 0.006723 0.019117 29O 1dx2y2 -0.000773 0.001730 0.001053 0.001287 -0.002287 -0.005189 29O 1dxy -0.000207 -0.000295 0.002119 0.001206 0.000068 0.010181 29O 2dz2 -0.010382 0.055506 -0.081483 -0.126849 -0.156766 -0.231907 29O 2dxz 0.025940 -0.018829 -0.001665 -0.059146 -0.034720 0.235890 29O 2dyz -0.044524 0.040188 -0.073306 -0.041706 -0.123541 -0.496961 29O 2dx2y2 -0.004299 0.027067 0.073519 0.051774 0.067159 0.020250 29O 2dxy -0.014957 0.052377 -0.038293 -0.036108 -0.041505 -0.207209 29O 1f0 0.001312 -0.001172 -0.000228 0.004405 0.011987 0.002496 29O 1f+1 0.000665 -0.000407 0.000837 -0.001326 -0.002966 0.007360 29O 1f-1 0.003984 -0.003168 -0.000396 0.005887 0.018761 0.028167 29O 1f+2 -0.000520 0.000215 -0.002568 -0.006294 -0.007418 -0.011905 29O 1f-2 -0.003019 0.002295 -0.008858 -0.007978 -0.005733 -0.042082 29O 1f+3 0.001891 -0.000461 -0.000375 -0.002516 0.001404 0.012413 29O 1f-3 0.002373 0.000177 0.002473 0.001256 0.002183 0.019798 30O 1s -0.000042 0.001263 0.000801 0.003374 0.001331 0.000005 30O 2s 0.000232 0.000997 0.001715 0.011044 0.002557 0.000422 30O 3s -0.010814 0.058981 0.004670 -0.053351 0.004340 -0.014748 30O 4s 0.020713 -0.373575 -0.177308 0.046460 -0.169977 0.110136 30O 5s 0.170513 0.076491 0.615078 -0.774558 0.738597 0.247291 30O 1pz -0.060543 -0.080455 -0.108783 0.028991 -0.086032 0.053344 30O 1px -0.054462 -0.088261 -0.090044 0.021262 -0.088057 0.055008 30O 1py 0.016837 -0.104377 0.000180 -0.064839 0.019386 -0.010478 30O 2pz 0.039911 0.146866 0.109116 0.041831 0.090525 -0.089889 30O 2px 0.107070 -0.059552 0.089311 -0.109038 0.074911 0.002185 30O 2py 0.039237 0.106731 0.056648 -0.020379 0.026278 0.016885 30O 3pz -0.099369 0.052363 -0.159770 0.059019 -0.299291 -0.086899 30O 3px -0.042741 -0.238519 -0.048990 -0.174490 0.133703 0.278878 30O 3py -0.167281 -0.316166 -0.124651 -0.127369 0.354422 0.181076 30O 1dz2 0.000931 0.000483 -0.001448 0.000496 -0.003014 -0.001210 30O 1dxz 0.001584 0.002607 0.000514 -0.001685 -0.001747 -0.003694 30O 1dyz -0.000140 -0.001467 -0.001598 0.004836 -0.001555 0.000467 30O 1dx2y2 -0.002278 -0.007458 -0.003369 0.000786 -0.000945 0.004084 30O 1dxy -0.002559 0.000522 -0.001457 0.002645 0.000621 0.002693 30O 2dz2 0.025523 0.107558 0.054671 0.021385 0.018078 -0.044068 30O 2dxz -0.009186 0.035650 -0.012730 -0.007185 -0.008661 -0.061700 30O 2dyz -0.052933 0.032530 -0.141853 0.158362 -0.125864 0.036846 30O 2dx2y2 -0.046752 -0.082304 -0.132099 0.093277 -0.166092 0.104918 30O 2dxy -0.071154 -0.073593 -0.057310 -0.020308 0.038374 0.065603 30O 1f0 0.005406 0.000057 0.005267 -0.002257 0.000574 0.000295 30O 1f+1 -0.000832 -0.001728 0.001573 -0.000452 0.000143 -0.000192 30O 1f-1 -0.001319 0.003479 0.000098 0.000672 0.001765 -0.000961 30O 1f+2 -0.001273 0.008648 0.001049 0.002969 0.001272 -0.003272 30O 1f-2 -0.001248 0.007386 -0.001538 0.005191 -0.005541 0.000426 30O 1f+3 -0.002166 -0.001773 0.001217 -0.003553 0.006574 -0.004263 30O 1f-3 -0.004204 0.012171 0.000715 0.005939 -0.003154 -0.002652 31O 1s 0.000087 0.000453 -0.001421 0.003303 -0.001360 -0.000001 31O 2s 0.000534 -0.000358 -0.001942 0.010785 -0.002702 -0.000508 31O 3s -0.010413 0.042321 -0.041331 -0.051265 -0.002827 0.016102 31O 4s 0.004338 -0.172766 0.371287 0.040080 0.164077 -0.119363 31O 5s 0.224054 -0.330378 -0.513080 -0.763009 -0.731609 -0.174729 31O 1pz 0.070704 -0.006134 -0.128151 -0.027890 -0.081799 0.064702 31O 1px 0.061561 0.012980 -0.120198 -0.019754 -0.086246 0.057362 31O 1py -0.011562 0.080168 -0.066778 0.063737 0.022403 -0.004405 31O 2pz -0.049811 -0.043241 0.170925 -0.043757 0.084212 -0.102591 31O 2px -0.112053 0.098117 0.023424 0.108062 0.073584 -0.004101 31O 2py -0.050791 -0.048558 0.108015 0.021210 0.022129 0.005360 31O 3pz 0.104462 -0.142454 -0.083284 -0.055093 -0.294297 -0.060639 31O 3px 0.043517 0.158269 -0.183115 0.174593 0.133662 0.257823 31O 3py 0.191426 0.172920 -0.279361 0.124483 0.352903 0.163251 31O 1dz2 0.000872 0.001383 0.000836 0.000451 0.002948 0.001113 31O 1dxz 0.001757 0.001794 -0.001889 -0.001696 0.001694 0.003472 31O 1dyz -0.000425 -0.000191 0.002250 0.004817 0.001483 -0.000980 31O 1dx2y2 -0.002645 -0.003737 0.007100 0.000733 0.000949 -0.004015 31O 1dxy -0.002689 0.001192 0.000586 0.002642 -0.000533 -0.002358 31O 2dz2 0.032482 0.049885 -0.108312 0.020861 -0.018705 0.043095 31O 2dxz -0.009478 0.036447 -0.013125 -0.006773 0.008587 0.058986 31O 2dyz -0.062620 0.114509 0.085268 0.156444 0.123725 -0.047827 31O 2dx2y2 -0.055559 0.019415 0.149864 0.090769 0.164272 -0.106788 31O 2dxy -0.077772 -0.023379 0.084421 -0.019673 -0.037746 -0.060712 31O 1f0 -0.005870 0.003045 0.003645 0.002245 0.000570 0.000135 31O 1f+1 0.000739 0.002399 0.000190 0.000443 0.000182 -0.000423 31O 1f-1 0.001068 -0.002572 0.002418 -0.000642 0.001801 -0.000962 31O 1f+2 0.000917 -0.006014 0.006382 -0.002996 0.001264 -0.003009 31O 1f-2 0.001157 -0.006625 0.003474 -0.005178 -0.005639 0.000545 31O 1f+3 0.002291 0.002197 0.000041 0.003433 0.006611 -0.004074 31O 1f-3 0.003827 -0.008817 0.008587 -0.005984 -0.003018 -0.002526 32O 1s 0.000093 -0.001287 -0.003115 0.002080 -0.008421 0.004207 32O 2s 0.000303 -0.004391 -0.010455 0.005443 -0.025004 0.012686 32O 3s -0.001179 0.029774 0.068073 -0.004348 0.078318 -0.044463 32O 4s 0.003427 -0.032635 -0.089683 -0.061686 0.152108 -0.038884 32O 5s -0.029537 -0.054653 0.005606 -0.073778 -0.091165 -0.071859 32O 1pz -0.045223 0.164239 0.064067 -0.110813 0.175992 0.500457 32O 1px -0.041380 -0.000549 -0.111193 0.171305 -0.095990 0.280004 32O 1py -0.001512 -0.030425 -0.032413 -0.004738 -0.044817 -0.029759 32O 2pz -0.025597 -0.103353 -0.040047 -0.003222 0.043943 0.256806 32O 2px 0.029360 0.062145 0.198033 -0.279073 0.161322 -0.005348 32O 2py 0.008329 0.023570 0.030554 -0.027983 0.164220 -0.078322 32O 3pz -0.086899 0.174841 0.063953 -0.141886 0.304447 0.899423 32O 3px -0.032282 0.016273 -0.173072 0.127067 -0.192953 0.461574 32O 3py -0.042686 -0.060484 -0.024074 0.009259 0.000739 -0.110238 32O 1dz2 0.001223 -0.000973 -0.000974 0.002349 -0.006311 -0.015053 32O 1dxz -0.001230 0.002371 0.001209 -0.002329 0.002251 0.018124 32O 1dyz 0.001850 -0.001318 -0.001910 0.004057 -0.006846 -0.020903 32O 1dx2y2 -0.000743 0.000783 -0.001961 0.001262 0.002313 0.005754 32O 1dxy -0.000009 -0.001525 -0.001349 0.001277 -0.000255 -0.011259 32O 2dz2 -0.007766 0.096772 0.024436 -0.123560 0.142551 0.202276 32O 2dxz 0.032134 -0.014514 0.015259 -0.055783 0.023868 -0.284816 32O 2dyz -0.051510 0.081323 0.026843 -0.046395 0.130336 0.549447 32O 2dx2y2 0.002064 -0.027997 -0.075464 0.055305 -0.072613 -0.044950 32O 2dxy -0.018192 0.064271 -0.008186 -0.036534 0.042449 0.222567 32O 1f0 -0.000777 0.000658 -0.000714 -0.003807 0.010180 -0.001040 32O 1f+1 -0.000980 0.001084 0.000382 0.001069 -0.002714 0.010274 32O 1f-1 -0.003612 0.002165 -0.002656 -0.005484 0.018176 0.027084 32O 1f+2 0.000554 -0.001844 -0.001593 0.006239 -0.007546 -0.011791 32O 1f-2 0.003801 -0.007609 -0.004716 0.008408 -0.006752 -0.048014 32O 1f+3 -0.001984 -0.000162 -0.001020 0.002762 0.001456 0.012362 32O 1f-3 -0.002702 0.001485 0.001701 -0.001404 0.002642 0.022488 33O 1s -0.000612 -0.001390 0.000411 0.002444 -0.000206 0.001195 33O 2s -0.003686 -0.002588 0.002476 0.008558 0.000961 0.002978 33O 3s 0.057149 -0.024227 -0.024859 -0.051089 -0.022162 -0.005234 33O 4s -0.241829 0.159925 0.148355 0.090325 0.167069 -0.108784 33O 5s -0.037559 0.109640 -0.221781 -0.589297 -0.574761 0.653571 33O 1pz -0.042272 0.075143 -0.027478 -0.052774 -0.055940 0.037571 33O 1px 0.020428 -0.024664 -0.042245 -0.018685 -0.057146 0.033137 33O 1py 0.057395 -0.024904 -0.092389 -0.031665 -0.072166 -0.008151 33O 2pz 0.008382 -0.074679 0.006616 -0.019511 0.025704 -0.057195 33O 2px 0.075500 -0.074119 0.033936 0.068669 0.040445 -0.044257 33O 2py -0.063012 0.015994 0.108697 0.016076 0.064934 0.002755 33O 3pz -0.211737 0.212927 -0.012454 -0.101937 -0.427319 0.419296 33O 3px 0.186360 -0.100678 -0.087082 0.124697 0.152139 -0.234899 33O 3py 0.109554 -0.056473 -0.167398 -0.051418 -0.199540 0.058139 33O 1dz2 0.001215 -0.003954 -0.002244 -0.001811 -0.002386 -0.001565 33O 1dxz 0.000650 -0.002253 -0.000611 -0.001510 -0.000228 -0.002018 33O 1dyz 0.001444 -0.000089 -0.002285 -0.005177 -0.002278 -0.002240 33O 1dx2y2 -0.001968 0.003404 -0.000933 0.000157 -0.000663 0.004009 33O 1dxy -0.001207 0.002919 0.000211 -0.000783 -0.000425 -0.000247 33O 2dz2 -0.013786 0.033952 -0.073635 -0.105396 -0.142197 0.050829 33O 2dxz 0.068934 -0.071115 -0.008387 0.035801 0.034729 -0.072300 33O 2dyz 0.033502 0.064644 -0.118784 -0.114568 -0.089779 0.007106 33O 2dx2y2 -0.054714 0.052199 0.042505 0.034705 0.062569 0.025875 33O 2dxy -0.062581 0.059340 0.054033 0.026642 0.054566 -0.029336 33O 1f0 0.002856 -0.009166 -0.001484 0.000887 0.000623 -0.004132 33O 1f+1 0.000706 -0.000518 0.005743 0.004045 0.009203 -0.000868 33O 1f-1 0.001853 -0.005083 0.001068 0.002018 0.001237 -0.003765 33O 1f+2 -0.005182 0.008298 -0.003343 -0.003750 -0.003505 0.003127 33O 1f-2 0.000134 0.002572 -0.000226 -0.000510 0.002810 0.001731 33O 1f+3 -0.001677 0.002685 -0.001477 -0.001428 0.002010 -0.000411 33O 1f-3 0.000832 -0.004624 0.001700 0.001092 0.000858 0.002013 34O 1s -0.002445 -0.000468 0.001419 0.003077 0.002160 -0.001955 34O 2s -0.006873 -0.002414 0.003900 0.008247 0.005987 -0.005790 34O 3s 0.017238 0.037943 0.003511 -0.009727 -0.007483 0.006926 34O 4s 0.080173 -0.099771 -0.312943 -0.134067 -0.220888 0.185953 34O 5s 0.135001 -0.059241 0.124329 -0.760722 0.248675 0.800497 34O 1pz -0.121933 -0.043777 0.181694 -0.027850 0.086199 -0.007482 34O 1px 0.002948 -0.005876 -0.000131 0.002002 0.009109 -0.006988 34O 1py -0.122851 0.046562 0.036716 0.113062 -0.002402 0.017509 34O 2pz 0.134354 0.056193 -0.209436 0.035742 -0.094395 -0.005343 34O 2px 0.060837 -0.079594 -0.128819 -0.207791 -0.131800 0.209814 34O 2py 0.175461 -0.049471 -0.024695 -0.089507 -0.004462 -0.072358 34O 3pz -0.130402 -0.063520 0.189329 0.020081 0.054395 -0.028057 34O 3px 0.016458 0.116605 -0.139595 -0.032631 0.250505 0.329868 34O 3py -0.240627 0.015474 0.155046 -0.047830 -0.100370 -0.024833 34O 1dz2 0.000988 -0.000691 -0.000812 -0.002939 -0.001542 -0.001123 34O 1dxz 0.000039 -0.000552 -0.001486 -0.002026 -0.004134 -0.000516 34O 1dyz -0.002115 0.001075 0.004901 -0.000299 0.002347 -0.001952 34O 1dx2y2 0.002789 0.001143 0.000519 0.003706 0.002515 -0.000613 34O 1dxy 0.001921 0.001081 0.001256 -0.001509 0.003641 -0.000232 34O 2dz2 -0.004856 0.011051 -0.026100 0.002191 -0.028463 -0.039468 34O 2dxz -0.050743 -0.026560 0.138534 -0.041523 0.046392 -0.021991 34O 2dyz -0.027475 0.077008 -0.095339 0.052000 -0.024884 0.024687 34O 2dx2y2 -0.006627 0.041870 -0.056261 0.035980 -0.031336 0.067174 34O 2dxy -0.089769 0.005584 0.035084 0.037993 -0.079700 -0.040275 34O 1f0 0.000936 0.002615 -0.001067 -0.001461 0.002991 0.001620 34O 1f+1 -0.000478 0.006445 -0.001749 0.008629 0.002984 -0.004714 34O 1f-1 -0.001668 0.002288 -0.002022 0.000223 -0.001841 0.000122 34O 1f+2 0.003448 0.007110 -0.006300 0.003834 -0.000234 -0.002976 34O 1f-2 0.002748 -0.002043 0.003685 -0.000909 0.004933 -0.002714 34O 1f+3 -0.008923 0.009929 -0.003323 0.009385 -0.001590 -0.004178 34O 1f-3 0.002707 0.000930 -0.002285 -0.001684 0.003687 -0.000690 35O 1s -0.000965 0.001151 0.000500 0.003070 0.002622 -0.000416 35O 2s -0.002819 0.005314 0.000632 0.008255 0.008170 -0.001170 35O 3s 0.008079 -0.060506 0.032235 -0.013664 -0.023771 0.014409 35O 4s 0.110117 0.094960 -0.253935 -0.146994 -0.157120 -0.067033 35O 5s -0.060878 0.252292 -0.213114 -0.278678 -0.511658 -0.516978 35O 1pz 0.056861 0.068249 -0.021587 -0.102766 0.022610 -0.026522 35O 1px 0.062637 -0.011825 -0.028674 -0.001741 -0.013331 0.026695 35O 1py -0.138452 0.072836 0.074848 -0.003401 0.053172 -0.065662 35O 2pz -0.071899 -0.079860 0.031590 0.114658 -0.027553 -0.022229 35O 2px -0.030042 0.105499 -0.129209 -0.138144 -0.161804 -0.127066 35O 2py 0.187956 -0.060938 -0.170083 -0.068392 -0.146424 0.033937 35O 3pz 0.097990 -0.002105 0.045846 0.023033 0.104666 -0.040476 35O 3px 0.206614 -0.065860 -0.139532 0.138108 -0.123746 -0.207495 35O 3py -0.089233 0.140282 0.165730 0.161799 0.039905 -0.203405 35O 1dz2 -0.000692 0.001738 0.000166 -0.001054 -0.000651 -0.000828 35O 1dxz -0.000715 0.000249 0.000677 -0.001039 -0.002057 0.000329 35O 1dyz 0.000986 -0.003329 -0.004988 0.000559 -0.005440 0.000192 35O 1dx2y2 -0.002054 -0.001297 0.002196 0.005689 0.002627 -0.003530 35O 1dxy 0.000541 -0.001662 -0.000167 0.004201 -0.002301 -0.000423 35O 2dz2 -0.038976 0.071593 0.003976 -0.028323 0.044839 0.017219 35O 2dxz 0.041581 -0.001252 0.021963 -0.018009 0.056760 -0.069218 35O 2dyz -0.032641 0.065135 -0.034931 -0.026588 0.012550 -0.016204 35O 2dx2y2 0.081284 -0.047563 -0.057447 0.045897 -0.052196 -0.033365 35O 2dxy -0.053236 0.046286 0.036182 0.041696 -0.023813 -0.043560 35O 1f0 -0.002901 0.004249 0.000065 -0.000112 -0.001317 0.000377 35O 1f+1 0.002142 -0.010692 0.008383 0.005242 0.001804 0.000646 35O 1f-1 -0.005202 0.002090 0.000277 0.002551 -0.003301 -0.000497 35O 1f+2 -0.001264 0.000536 0.005191 0.001864 0.005885 -0.000692 35O 1f-2 0.002793 -0.004774 -0.001036 0.000843 -0.002707 -0.000638 35O 1f+3 0.001883 -0.007567 0.000900 0.002381 0.001512 0.001351 35O 1f-3 0.002910 -0.009583 0.006104 0.006384 0.003852 0.005189 450 451 452 453 454 455 2.60845 2.61282 2.62411 2.63389 2.64442 2.64486 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s -0.000768 -0.000217 0.000291 0.000363 0.003613 0.000154 0Rh 2s 0.005089 0.001993 -0.000677 -0.002007 -0.024289 -0.001097 0Rh 3s -0.001446 -0.000066 0.001311 0.000927 0.006580 0.000240 0Rh 4s -0.026460 -0.010288 0.003578 0.010667 0.126164 0.005709 0Rh 5s 0.049267 0.020565 -0.001825 -0.021048 -0.232160 -0.011054 0Rh 6s -0.028873 -0.015425 -0.016659 0.022030 0.114849 0.009216 0Rh 7s 0.118918 -0.045130 -0.130725 -0.245591 -0.163208 -0.046407 0Rh 8s -0.270945 0.133080 0.504472 0.798628 -0.296524 -0.136218 0Rh 1pz -0.003582 -0.000697 -0.004659 0.001466 0.013112 0.002693 0Rh 1px 0.000654 0.000855 0.001566 0.001603 0.003012 -0.003346 0Rh 1py -0.010440 -0.001058 0.004472 -0.005148 -0.007705 0.013012 0Rh 2pz 0.012958 0.002500 0.016930 -0.005182 -0.047548 -0.009752 0Rh 2px -0.002425 -0.003191 -0.005672 -0.005804 -0.010870 0.012020 0Rh 2py 0.038034 0.003883 -0.016103 0.018583 0.027660 -0.047284 0Rh 3pz -0.014107 -0.002058 -0.020180 0.002920 0.053964 0.010167 0Rh 3px 0.003956 0.005453 0.005677 0.006255 0.011680 -0.011296 0Rh 3py -0.046922 -0.005538 0.015764 -0.020383 -0.025417 0.056263 0Rh 4pz -0.033618 -0.010594 -0.035026 0.026092 0.112895 0.030914 0Rh 4px 0.000147 0.000099 0.020241 0.015807 0.025487 -0.038400 0Rh 4py -0.075848 -0.003675 0.050375 -0.039578 -0.091822 0.098009 0Rh 5pz 0.060290 0.030072 0.050528 -0.054185 -0.187661 -0.069279 0Rh 5px 0.003499 0.005252 -0.043528 -0.028357 -0.027090 0.069309 0Rh 5py 0.134311 -0.000202 -0.105458 0.022107 0.166975 -0.154252 0Rh 6pz 0.055339 -0.238980 0.395744 0.078699 -0.606481 -0.194794 0Rh 6px -0.128416 -0.161276 -0.034401 0.016761 -0.301547 -0.043140 0Rh 6py 0.190926 0.269809 0.562519 0.937439 0.099753 -0.397280 0Rh 1dz2 0.006838 -0.000975 0.001500 0.006353 -0.007933 -0.006847 0Rh 1dxz 0.002603 0.005987 -0.000602 -0.000076 -0.000979 0.000446 0Rh 1dyz 0.004554 0.006203 -0.000499 0.003839 0.001250 -0.014198 0Rh 1dx2y2 0.004311 0.000777 -0.005049 0.006583 0.009180 -0.003532 0Rh 1dxy -0.006576 -0.002540 -0.013804 -0.005881 0.002192 0.004253 0Rh 2dz2 -0.001369 0.000557 0.000038 -0.001403 -0.001373 -0.002184 0Rh 2dxz 0.001079 0.001927 -0.000933 -0.001042 -0.001765 -0.000492 0Rh 2dyz -0.005078 0.003074 -0.000761 -0.002564 0.000702 0.000241 0Rh 2dx2y2 -0.001458 0.001682 0.001102 0.001773 0.003882 -0.000908 0Rh 2dxy -0.002684 0.000798 -0.001857 -0.002091 0.002399 0.000450 0Rh 3dz2 -0.013301 0.000235 -0.004293 -0.011712 0.029178 0.029210 0Rh 3dxz -0.012458 -0.025666 0.005988 0.005064 0.010923 0.000814 0Rh 3dyz 0.010332 -0.031973 0.004881 0.000886 -0.006890 0.039857 0Rh 3dx2y2 -0.005569 -0.009728 0.009566 -0.027136 -0.044120 0.013957 0Rh 3dxy 0.031225 0.003588 0.048037 0.026361 -0.017231 -0.014289 0Rh 4dz2 -0.019971 0.008873 -0.002162 -0.023073 -0.024544 -0.028444 0Rh 4dxz 0.019300 0.027434 -0.015147 -0.018538 -0.028751 -0.005242 0Rh 4dyz -0.081483 0.053600 -0.012458 -0.042762 0.012218 -0.000467 0Rh 4dx2y2 -0.024419 0.024429 0.014849 0.032431 0.062435 -0.009394 0Rh 4dxy -0.045098 0.013160 -0.031501 -0.032377 0.038171 0.007320 0Rh 5dz2 0.120616 -0.044549 0.044897 0.155645 0.014038 -0.008678 0Rh 5dxz -0.061417 -0.021071 0.055915 0.086306 0.069665 0.006233 0Rh 5dyz 0.338091 -0.177121 0.060282 0.208755 -0.036931 -0.114112 0Rh 5dx2y2 0.138047 -0.074368 -0.086113 -0.095283 -0.100770 -0.024498 0Rh 5dxy 0.110013 -0.081608 -0.010982 0.053376 -0.110331 0.013727 0Rh 1f0 0.070264 -0.001375 -0.034652 0.084180 0.083407 -0.083823 0Rh 1f+1 0.026052 0.067800 -0.011699 -0.003029 -0.065186 -0.017219 0Rh 1f-1 0.134141 -0.010608 0.032342 0.087336 -0.098203 -0.109168 0Rh 1f+2 -0.000331 -0.029929 -0.010835 0.046791 0.177044 -0.037978 0Rh 1f-2 0.098480 0.049162 -0.060377 0.078522 0.083285 -0.103299 0Rh 1f+3 -0.041006 0.018656 0.062327 -0.066207 -0.155631 0.039838 0Rh 1f-3 0.081622 -0.036565 -0.014282 0.033009 0.039261 -0.021283 1Rh 1s 0.000721 -0.000136 0.000446 -0.000400 -0.003375 -0.001015 1Rh 2s -0.004802 0.001487 -0.001747 0.002150 0.022865 0.006812 1Rh 3s 0.001338 0.000103 0.001574 -0.001058 -0.006040 -0.001858 1Rh 4s 0.024974 -0.007664 0.009126 -0.011403 -0.118770 -0.035381 1Rh 5s -0.046752 0.015922 -0.012054 0.021909 0.219457 0.064890 1Rh 6s 0.028613 -0.013765 -0.011619 -0.020373 -0.112941 -0.029884 1Rh 7s -0.123805 -0.045167 -0.133277 0.240847 0.179351 0.019830 1Rh 8s 0.269845 0.129484 0.454421 -0.816403 0.353705 -0.047164 1Rh 1pz -0.003733 0.000711 0.003847 0.001342 0.012942 0.001692 1Rh 1px 0.000637 -0.000848 -0.001664 0.001665 0.001388 0.004150 1Rh 1py -0.010294 0.001900 -0.004937 -0.004502 -0.003410 -0.014798 1Rh 2pz 0.013502 -0.002567 -0.014000 -0.004725 -0.046921 -0.006149 1Rh 2px -0.002350 0.003166 0.006019 -0.006014 -0.005048 -0.014924 1Rh 2py 0.037505 -0.006944 0.017806 0.016245 0.012063 0.053655 1Rh 3pz -0.014658 0.002586 0.017140 0.002203 0.052821 0.007828 1Rh 3px 0.003618 -0.005424 -0.005858 0.006163 0.006528 0.014450 1Rh 3py -0.046374 0.009172 -0.018095 -0.017801 -0.007077 -0.061234 1Rh 4pz -0.035072 0.008328 0.026661 0.025885 0.114637 0.007292 1Rh 4px 0.001097 -0.000007 -0.021977 0.017897 0.005439 0.044927 1Rh 4py -0.074384 0.010353 -0.052370 -0.033753 -0.058521 -0.122956 1Rh 5pz 0.061841 -0.022671 -0.035038 -0.054430 -0.196558 0.004871 1Rh 5px 0.001135 -0.005642 0.047177 -0.032940 0.009185 -0.075235 1Rh 5py 0.131641 -0.011673 0.106256 0.011586 0.114629 0.199878 1Rh 6pz 0.079941 0.184838 -0.390533 0.116192 -0.651488 -0.016304 1Rh 6px -0.116708 0.171074 0.011561 0.031530 -0.313343 -0.045598 1Rh 6py 0.193246 -0.283003 -0.496423 0.942711 -0.064893 0.423783 1Rh 1dz2 -0.006924 -0.000165 0.000383 -0.005908 0.009612 -0.004528 1Rh 1dxz -0.001842 0.005879 -0.000626 -0.000216 0.000897 0.000654 1Rh 1dyz -0.003959 0.006232 -0.000944 -0.003028 0.003163 -0.014404 1Rh 1dx2y2 -0.003860 0.001602 -0.005334 -0.006203 -0.007756 -0.006915 1Rh 1dxy 0.006862 -0.003112 -0.013316 0.006582 -0.004277 0.002814 1Rh 2dz2 0.001466 0.000441 0.000078 0.001512 0.001920 -0.001491 1Rh 2dxz -0.000833 0.001771 -0.001029 0.001091 0.001771 0.000074 1Rh 2dyz 0.005437 0.002536 -0.000459 0.002606 -0.000800 0.000396 1Rh 2dx2y2 0.001600 0.001706 0.001227 -0.001795 -0.003265 -0.002078 1Rh 2dxy 0.002815 0.000635 -0.001592 0.002181 -0.002519 -0.000178 1Rh 3dz2 0.013100 -0.001534 -0.001273 0.009951 -0.036349 0.019362 1Rh 3dxz 0.009186 -0.024662 0.006500 -0.004448 -0.010652 -0.002375 1Rh 3dyz -0.013685 -0.029563 0.004768 -0.003413 -0.005392 0.039740 1Rh 3dx2y2 0.003653 -0.012194 0.009815 0.026152 0.037327 0.029051 1Rh 3dxy -0.032644 0.005991 0.045422 -0.028782 0.023777 -0.007292 1Rh 4dz2 0.021563 0.006901 -0.001740 0.024699 0.031051 -0.016940 1Rh 4dxz -0.015738 0.025223 -0.016757 0.019267 0.027853 0.003859 1Rh 4dyz 0.087592 0.044527 -0.007651 0.043813 -0.012496 0.002086 1Rh 4dx2y2 0.026497 0.024865 0.016676 -0.032794 -0.054368 -0.028743 1Rh 4dxy 0.047325 0.010211 -0.027186 0.033939 -0.040265 -0.002792 1Rh 5dz2 -0.128286 -0.030521 0.033117 -0.156974 -0.006004 -0.026358 1Rh 5dxz 0.057995 -0.016226 0.061976 -0.092216 -0.062342 -0.016273 1Rh 5dyz -0.359165 -0.140573 0.037595 -0.208402 0.075272 -0.127765 1Rh 5dx2y2 -0.141042 -0.066720 -0.093023 0.100395 0.095854 0.004167 1Rh 5dxy -0.116993 -0.074308 -0.022712 -0.052692 0.098404 0.034172 1Rh 1f0 0.069847 -0.004002 0.039095 0.080681 0.052259 0.107803 1Rh 1f+1 0.019693 -0.064028 0.017218 -0.005761 -0.065503 -0.005511 1Rh 1f-1 0.137033 -0.001307 -0.017727 0.086417 -0.124160 0.073597 1Rh 1f+2 0.002518 0.027226 0.006013 0.046187 0.151079 0.093594 1Rh 1f-2 0.092557 -0.056300 0.067038 0.069636 0.049784 0.123688 1Rh 1f+3 -0.040986 -0.012576 -0.061236 -0.061759 -0.135191 -0.087914 1Rh 1f-3 0.084318 0.027759 0.018504 0.032980 0.030993 0.033470 2C 1s 0.001284 0.000138 -0.000729 0.000870 -0.003191 -0.000641 2C 2s 0.005634 -0.000061 -0.001031 0.002258 -0.010136 -0.000887 2C 3s 0.111267 -0.143827 0.045914 0.029556 -0.167061 0.148331 2C 4s -1.042363 0.764982 -0.175077 -0.346031 1.515137 -0.846037 2C 5s 0.284480 0.580400 -0.337155 0.850375 -0.298470 -0.672839 2C 1pz 0.035359 -0.047344 0.007257 0.004472 -0.049968 0.053215 2C 1px -0.072702 -0.044990 0.004241 -0.005634 0.075969 0.027653 2C 1py 0.030888 -0.033109 0.000789 0.015250 -0.053294 0.023419 2C 2pz -0.162057 0.298160 0.108010 -0.064770 0.839825 0.085568 2C 2px -1.181824 -0.022749 0.031413 -0.568040 0.424722 -0.682702 2C 2py -0.385797 0.281909 0.027793 -0.193614 0.195557 -0.646175 2C 3pz 0.013694 0.160234 -0.112769 0.192199 0.044892 -0.175477 2C 3px 0.096927 0.117851 -0.066349 0.118945 -0.074272 -0.011897 2C 3py -0.027980 0.099336 -0.102055 0.085661 -0.003472 -0.083447 2C 1dz2 -0.017071 0.032449 -0.017747 0.012200 0.028132 -0.061937 2C 1dxz -0.073061 -0.016654 -0.009311 -0.032483 0.013931 -0.005954 2C 1dyz 0.017422 0.027720 -0.031880 0.021485 0.014426 0.019725 2C 1dx2y2 0.068890 -0.015879 0.016503 0.025322 -0.018634 0.059428 2C 1dxy -0.036214 0.002582 -0.005239 -0.014043 -0.035128 -0.082798 2C 2dz2 -0.107956 0.009921 0.046171 -0.000537 0.188235 -0.019375 2C 2dxz 0.356381 0.183535 0.010350 0.093731 -0.175044 -0.064816 2C 2dyz -0.350671 0.024549 0.041647 -0.191704 0.239661 -0.165384 2C 2dx2y2 -0.128129 -0.012216 -0.064256 -0.097723 -0.221579 -0.234811 2C 2dxy 0.214306 0.080370 0.013744 0.043309 0.013530 0.156458 2C 1f0 -0.087690 0.022387 -0.002654 -0.020936 0.015904 -0.132345 2C 1f+1 -0.020257 -0.007647 0.007602 -0.015607 0.023972 0.009995 2C 1f-1 -0.001832 0.024019 -0.010808 0.010944 0.024199 -0.007784 2C 1f+2 0.097586 -0.008530 0.010659 0.019793 -0.106551 0.007424 2C 1f-2 0.053867 0.027610 -0.012225 0.010699 -0.057853 -0.021381 2C 1f+3 0.031098 -0.014407 0.011425 0.003420 -0.048937 -0.015235 2C 1f-3 -0.086199 -0.022170 0.001705 -0.032368 0.075420 0.010731 3C 1s -0.002216 -0.000042 0.000492 -0.000705 -0.003249 0.001760 3C 2s -0.008700 0.000559 0.000843 -0.003029 -0.009559 0.002835 3C 3s -0.106635 0.143987 -0.132918 0.042410 -0.035899 -0.086082 3C 4s 1.059824 -0.769896 0.779358 0.041215 0.800112 0.487045 3C 5s -0.157971 -0.305457 0.799109 -0.004914 -0.602922 0.957864 3C 1pz -0.068393 0.017132 -0.018398 -0.028220 -0.089172 -0.015194 3C 1px 0.008529 0.016850 -0.034054 0.010657 0.076389 -0.046501 3C 1py 0.021003 -0.043653 0.060501 -0.017681 -0.027369 0.026104 3C 2pz -0.498930 -0.133699 0.092984 -0.122792 0.051517 -0.149585 3C 2px 1.141801 -0.227839 0.811042 0.199476 -0.277107 1.297830 3C 2py -0.495721 0.171623 -0.312703 -0.206888 -0.731229 0.181350 3C 3pz 0.124068 -0.057718 0.098358 -0.038845 0.053153 0.088076 3C 3px -0.060858 -0.041236 0.174744 0.058836 -0.155860 0.176887 3C 3py 0.047618 0.177546 -0.118832 0.059732 0.055694 -0.156830 3C 1dz2 -0.020510 0.001565 -0.020830 -0.002569 0.056317 -0.079512 3C 1dxz 0.085201 -0.032149 0.060266 0.004430 -0.047395 0.116231 3C 1dyz 0.046487 0.031748 0.009685 0.018817 -0.002930 -0.002997 3C 1dx2y2 -0.054453 0.025740 -0.025235 -0.007537 -0.010691 -0.028291 3C 1dxy -0.053921 0.011666 0.006263 0.007013 0.007298 0.001268 3C 2dz2 0.100654 0.028055 -0.034483 0.057107 0.157489 0.087462 3C 2dxz -0.241843 0.059305 -0.139258 0.010744 0.314845 -0.393646 3C 2dyz -0.490701 0.032535 -0.159888 -0.110730 -0.245262 -0.067363 3C 2dx2y2 0.106087 0.042293 0.013924 0.017170 -0.205830 0.105814 3C 2dxy 0.092433 0.040021 -0.166709 -0.020320 0.193611 -0.237119 3C 1f0 0.052849 0.002249 -0.007491 0.033284 0.060838 -0.013845 3C 1f+1 0.082181 -0.010403 0.023479 0.023840 0.072617 0.005252 3C 1f-1 -0.043327 -0.017711 0.019713 -0.048422 -0.091675 0.055379 3C 1f+2 -0.036735 0.030862 -0.034441 -0.015217 -0.006222 -0.042775 3C 1f-2 -0.060506 0.029255 -0.019813 -0.001339 -0.026760 -0.006390 3C 1f+3 -0.000752 0.002880 -0.030853 -0.005609 0.036272 -0.044624 3C 1f-3 -0.095469 0.018245 -0.047147 -0.040229 -0.043892 -0.089346 4C 1s -0.001774 -0.000763 0.002469 -0.000619 0.002009 0.001360 4C 2s -0.004804 -0.005491 0.008901 -0.001561 0.004609 0.007239 4C 3s 0.162745 0.345010 -0.171713 0.051280 -0.034589 -0.132437 4C 4s -0.571235 -1.748584 0.527341 -0.091488 -0.277931 0.374315 4C 5s -0.532263 -1.120306 0.029774 -0.264971 0.002835 -0.105070 4C 1pz 0.083426 0.008672 -0.050077 0.048774 -0.119946 0.024921 4C 1px 0.033198 -0.005468 0.013659 0.014427 -0.032856 -0.038765 4C 1py 0.056318 0.005589 -0.021097 0.033847 -0.075267 -0.020804 4C 2pz -0.878025 -0.070732 0.218180 -0.298358 1.025193 -0.349498 4C 2px -0.063949 0.127903 0.121905 -0.271523 0.188998 -0.009812 4C 2py -0.497289 -0.009432 0.153308 -0.266740 0.639016 -0.123949 4C 3pz -0.137682 0.204408 -0.498996 0.608744 -0.099052 -0.709445 4C 3px 0.079803 -0.036292 0.142962 -0.187444 0.210537 -0.181400 4C 3py -0.061532 0.149116 -0.220402 0.417758 0.120269 -0.610876 4C 1dz2 -0.004954 0.009324 -0.013354 -0.000476 0.039340 0.025205 4C 1dxz -0.017994 -0.009533 -0.021748 0.019339 0.026840 0.051696 4C 1dyz -0.067959 0.049215 -0.031154 0.000514 0.050848 -0.066452 4C 1dx2y2 0.019737 -0.009859 -0.009503 0.022402 0.019928 0.107480 4C 1dxy -0.035974 0.033350 -0.022455 0.000579 0.035265 -0.057089 4C 2dz2 0.413400 -0.125503 -0.021273 0.266926 -0.325695 0.281674 4C 2dxz 0.271417 0.177149 -0.003948 -0.073341 -0.534650 -0.217410 4C 2dyz 0.251803 -0.236097 0.018997 0.113253 -0.381992 0.208631 4C 2dx2y2 -0.443674 -0.044887 0.100985 -0.144529 0.469839 -0.274758 4C 2dxy -0.150198 -0.052771 0.043847 -0.203987 -0.060870 -0.080888 4C 1f0 0.028991 0.015676 -0.001153 0.012868 -0.017632 -0.007402 4C 1f+1 0.017868 0.008891 0.005945 0.019695 -0.009574 -0.009896 4C 1f-1 0.043274 -0.003460 0.000917 0.024905 -0.026733 0.039051 4C 1f+2 -0.034801 -0.023031 -0.010353 -0.018589 0.000274 0.006579 4C 1f-2 -0.026356 -0.019138 0.001100 -0.047553 -0.060642 -0.014215 4C 1f+3 -0.020012 -0.004415 0.005542 0.018068 0.023321 -0.003075 4C 1f-3 0.010369 0.008445 -0.020844 -0.004434 -0.028328 0.012666 5C 1s 0.001574 0.001342 -0.000183 0.004167 0.004537 -0.000526 5C 2s 0.002949 0.007187 -0.003345 0.014049 0.016614 -0.003748 5C 3s -0.082601 -0.348933 0.211698 -0.293232 -0.343075 -0.017910 5C 4s 0.236791 1.705333 -1.104903 0.962025 0.891702 0.381080 5C 5s 0.258425 0.813153 -0.868537 -0.039848 0.390648 0.166288 5C 1pz -0.033537 0.003826 -0.006216 -0.035778 -0.072384 0.018942 5C 1px -0.040130 -0.045871 -0.023593 -0.021799 -0.079134 0.022596 5C 1py 0.070884 0.001616 0.005617 0.062325 0.135227 -0.002972 5C 2pz 0.369046 0.012131 0.110892 0.335004 0.478474 0.009268 5C 2px 0.387827 0.189057 0.226205 -0.179161 0.490091 0.194677 5C 2py -0.725212 -0.043448 -0.185658 -0.483253 -0.937035 -0.215588 5C 3pz -0.049818 -0.128613 0.254929 0.101323 -0.222848 0.706276 5C 3px 0.058739 -0.165238 -0.166002 -0.402817 0.370776 0.031446 5C 3py -0.010493 0.149013 -0.428908 0.178940 0.188921 -0.905765 5C 1dz2 -0.033933 0.020284 -0.032962 -0.021170 -0.010869 0.040874 5C 1dxz 0.020432 -0.012470 0.051862 0.024707 -0.034670 0.106867 5C 1dyz -0.043941 0.062887 -0.028191 0.011513 -0.029315 -0.089516 5C 1dx2y2 -0.036584 0.006255 -0.008670 0.015600 0.004936 0.025972 5C 1dxy -0.029190 0.013628 0.002149 -0.021987 -0.021441 0.001073 5C 2dz2 -0.157228 -0.113882 -0.008522 -0.098645 -0.012146 -0.305383 5C 2dxz -0.154019 -0.011061 0.017915 -0.186311 -0.516213 0.096040 5C 2dyz 0.282455 -0.228013 0.379924 -0.050962 -0.162526 0.385051 5C 2dx2y2 0.631598 0.050322 0.350774 0.260522 0.418593 0.541482 5C 2dxy 0.011438 -0.042395 -0.196697 0.201385 0.613997 -0.468321 5C 1f0 -0.003644 -0.008748 0.012647 -0.015694 0.009191 0.017784 5C 1f+1 -0.030655 -0.002500 0.003406 -0.021735 0.019913 -0.008780 5C 1f-1 0.024304 0.010900 0.029556 -0.015893 -0.046311 0.040681 5C 1f+2 0.065343 -0.011562 -0.000719 0.043528 -0.023991 0.047687 5C 1f-2 -0.003435 0.020396 -0.007984 0.011515 0.050491 -0.047230 5C 1f+3 -0.016872 -0.006284 -0.002735 -0.022946 -0.030078 -0.050827 5C 1f-3 0.029233 0.008984 -0.004256 -0.000573 0.035744 0.020659 6C 1s -0.001425 0.001482 -0.000146 -0.004014 -0.004100 -0.002057 6C 2s -0.002089 0.007519 -0.003054 -0.013271 -0.014583 -0.009308 6C 3s 0.041679 -0.358400 0.201423 0.265873 0.342532 0.104612 6C 4s -0.040826 1.734651 -1.045329 -0.831126 -1.042265 0.025959 6C 5s -0.159691 0.839748 -0.837961 0.113146 -0.465904 0.028520 6C 1pz -0.034113 -0.000645 0.005020 -0.035702 -0.061058 -0.041372 6C 1px -0.036171 0.047694 0.021418 -0.022795 -0.064450 -0.045763 6C 1py 0.070237 -0.007184 -0.002936 0.063097 0.123967 0.046189 6C 2pz 0.374843 -0.061283 -0.104111 0.337163 0.443199 0.145823 6C 2px 0.370401 -0.153655 -0.198969 -0.143106 0.500536 -0.043956 6C 2py -0.727777 0.110742 0.167083 -0.500006 -0.927176 -0.092193 6C 3pz -0.020847 0.102562 -0.276780 0.141975 -0.011027 -0.739057 6C 3px 0.072995 0.176613 0.137222 -0.380891 0.354250 0.071459 6C 3py -0.052053 -0.126383 0.475232 0.116829 -0.074772 0.921701 6C 1dz2 0.036241 0.015752 -0.030976 0.022055 -0.004636 0.042142 6C 1dxz -0.023014 -0.008577 0.050746 -0.029465 -0.001109 0.109918 6C 1dyz 0.051265 0.059813 -0.028173 -0.004531 0.053196 -0.077787 6C 1dx2y2 0.037081 0.005647 -0.005857 -0.014950 -0.014071 0.020377 6C 1dxy 0.031086 0.006955 0.001817 0.021850 0.018106 0.007054 6C 2dz2 0.145107 -0.117673 0.001648 0.103889 0.111285 -0.277974 6C 2dxz 0.156215 -0.036774 0.008273 0.186133 0.451083 0.250453 6C 2dyz -0.314579 -0.222376 0.354543 0.009849 0.048949 0.418686 6C 2dx2y2 -0.633845 0.084192 0.323319 -0.297101 -0.543434 0.376552 6C 2dxy -0.015502 -0.012449 -0.182755 -0.184326 -0.422950 -0.622872 6C 1f0 -0.002280 0.010077 -0.013755 -0.014160 0.013254 -0.015406 6C 1f+1 -0.029968 0.005307 -0.005446 -0.021752 0.014550 0.014827 6C 1f-1 0.024135 -0.011077 -0.029268 -0.014701 -0.029439 -0.051118 6C 1f+2 0.066570 0.004240 0.003903 0.044186 -0.007032 -0.052214 6C 1f-2 -0.005573 -0.020448 0.007039 0.010145 0.032739 0.059038 6C 1f+3 -0.015019 0.006722 -0.000334 -0.025102 -0.043767 0.036629 6C 1f-3 0.028865 -0.012637 0.002269 -0.001358 0.040983 -0.008625 7C 1s 0.001575 -0.000892 0.002751 0.000351 -0.002114 0.000679 7C 2s 0.003765 -0.005775 0.009739 0.000413 -0.005826 0.005576 7C 3s -0.118636 0.356538 -0.190298 -0.023264 0.066124 -0.116563 7C 4s 0.372231 -1.795001 0.572664 -0.012297 0.145374 0.442197 7C 5s 0.425251 -1.163071 0.073417 0.225579 0.027717 -0.108911 7C 1pz 0.079264 -0.014202 0.061318 0.045467 -0.099769 -0.062082 7C 1px 0.034956 0.007217 -0.008954 0.012560 -0.043224 0.026854 7C 1py 0.055262 -0.008460 0.029232 0.030895 -0.075051 -0.004488 7C 2pz -0.858472 0.139851 -0.307432 -0.293384 0.834242 0.671584 7C 2px -0.081192 -0.194150 -0.174258 -0.250316 0.167507 0.060015 7C 2py -0.498349 0.024269 -0.222868 -0.256019 0.554392 0.328833 7C 3pz -0.184101 -0.230548 0.512006 0.542763 -0.269639 0.654744 7C 3px 0.078341 -0.014021 -0.180484 -0.171550 0.116227 0.230035 7C 3py -0.093875 -0.179916 0.226736 0.382886 -0.067677 0.624794 7C 1dz2 0.005645 0.011000 -0.010892 0.000938 -0.045112 0.010746 7C 1dxz 0.017835 -0.013548 -0.022878 -0.018446 -0.043242 0.040017 7C 1dyz 0.074604 0.045271 -0.026340 0.005734 -0.028984 -0.081005 7C 1dx2y2 -0.019995 -0.005818 -0.010030 -0.025459 -0.050152 0.095788 7C 1dxy 0.037812 0.027646 -0.020468 0.003192 -0.017449 -0.065011 7C 2dz2 -0.417269 -0.099647 -0.067399 -0.277747 0.227644 0.366226 7C 2dxz -0.255092 0.193546 -0.034373 0.085702 0.543001 -0.019444 7C 2dyz -0.279620 -0.218245 -0.010595 -0.132164 0.297913 0.327161 7C 2dx2y2 0.435156 -0.069237 0.148824 0.146498 -0.357467 -0.415041 7C 2dxy 0.140409 -0.062556 0.064466 0.201601 0.066423 -0.050448 7C 1f0 0.026579 -0.020463 0.002870 0.013198 -0.017082 0.000179 7C 1f+1 0.016910 -0.008125 -0.002526 0.018877 -0.011675 0.007602 7C 1f-1 0.043148 -0.001876 0.002814 0.027221 -0.015740 -0.045279 7C 1f+2 -0.032786 0.027225 0.008027 -0.019402 0.004486 -0.004325 7C 1f-2 -0.024053 0.025460 -0.001964 -0.048426 -0.059043 -0.007268 7C 1f+3 -0.019014 0.008650 -0.005461 0.017805 0.020977 0.009952 7C 1f-3 0.007656 -0.010595 0.021318 -0.004454 -0.024053 -0.020932 8C 1s 0.002164 -0.000157 0.000594 0.000660 0.002462 0.002677 8C 2s 0.008634 0.000013 0.001167 0.002991 0.007968 0.005627 8C 3s 0.125852 0.134186 -0.128451 -0.025678 0.050770 -0.075682 8C 4s -1.161005 -0.682551 0.736483 -0.141146 -0.838824 0.240476 8C 5s 0.090566 -0.305498 0.838320 -0.078322 0.311849 1.101263 8C 1pz -0.070755 -0.009999 0.017861 -0.030495 -0.085073 -0.012157 8C 1px 0.007767 -0.022510 0.027986 0.006691 0.060445 0.068179 8C 1py 0.028388 0.041474 -0.060070 -0.012136 -0.019232 -0.034601 8C 2pz -0.476974 0.174841 -0.102407 -0.106353 -0.009347 0.148919 8C 2px 1.200380 0.126642 -0.790529 0.266675 0.148408 -1.288953 8C 2py -0.516239 -0.143108 0.279632 -0.237850 -0.584814 -0.383964 8C 3pz 0.134021 0.049927 -0.105602 -0.027478 0.072143 -0.070827 8C 3px -0.054668 0.039695 -0.171937 0.071506 -0.101190 -0.208506 8C 3py 0.022091 -0.175824 0.129312 0.037875 0.013114 0.170104 8C 1dz2 0.020538 -0.000131 -0.020498 0.004684 -0.026575 -0.090650 8C 1dxz -0.090393 -0.022903 0.059879 -0.009447 0.007393 0.124171 8C 1dyz -0.044281 0.034714 0.009518 -0.017008 0.002617 -0.002635 8C 1dx2y2 0.057250 0.021501 -0.023097 0.010917 0.017293 -0.025413 8C 1dxy 0.056321 0.007113 0.006457 -0.007276 -0.007838 -0.003943 8C 2dz2 -0.092109 0.042753 -0.029649 -0.054159 -0.178080 0.025754 8C 2dxz 0.256154 0.022354 -0.149627 -0.005343 -0.157384 -0.465072 8C 2dyz 0.502833 -0.010212 -0.155758 0.119013 0.243261 0.006456 8C 2dx2y2 -0.097404 0.044227 0.003392 -0.015276 0.162772 0.167951 8C 2dxy -0.092979 0.055314 -0.150201 0.036104 -0.115369 -0.275152 8C 1f0 0.052621 -0.006708 0.009670 0.032980 0.051408 0.031551 8C 1f+1 0.083322 0.000592 -0.024217 0.024613 0.068408 0.017704 8C 1f-1 -0.040416 0.022179 -0.022589 -0.046126 -0.065871 -0.080878 8C 1f+2 -0.040788 -0.027049 0.031733 -0.019701 -0.017464 0.037861 8C 1f-2 -0.063633 -0.024039 0.019240 -0.002996 -0.024771 0.000243 8C 1f+3 -0.001946 0.000017 0.033281 -0.006647 0.018044 0.049910 8C 1f-3 -0.100158 -0.006179 0.048341 -0.044412 -0.069949 0.068165 9C 1s -0.001205 0.000180 -0.000979 -0.000788 0.003023 0.000445 9C 2s -0.005473 0.000247 -0.001853 -0.002193 0.009400 0.002566 9C 3s -0.130168 -0.139460 0.033869 -0.041494 0.113542 0.197532 9C 4s 1.133587 0.713336 -0.054842 0.409388 -1.161058 -1.311826 9C 5s -0.207400 0.639878 -0.392368 -0.781754 0.456512 -0.552199 9C 1pz 0.042904 0.044187 -0.004603 0.009094 -0.032619 -0.068133 9C 1px -0.067636 0.051788 -0.011032 -0.003882 0.077764 -0.000203 9C 1py 0.032692 0.033002 0.004062 0.016298 -0.040533 -0.039612 9C 2pz -0.186301 -0.327337 -0.161970 -0.054436 0.777773 0.194527 9C 2px -1.156935 0.176412 -0.114218 -0.605284 0.236735 0.774862 9C 2py -0.432136 -0.239846 -0.048233 -0.227131 0.006306 0.679342 9C 3pz -0.012782 -0.175755 0.116645 0.173441 -0.007445 0.185755 9C 3px 0.085068 -0.121870 0.084187 0.110490 -0.064909 -0.017591 9C 3py -0.036788 -0.105978 0.100723 0.074495 -0.021300 0.080000 9C 1dz2 0.019472 0.032389 -0.016654 -0.008308 -0.009341 -0.068165 9C 1dxz 0.071547 -0.027503 -0.004459 0.035458 -0.013943 -0.012801 9C 1dyz -0.011978 0.031688 -0.032506 -0.018843 -0.020335 0.012639 9C 1dx2y2 -0.070080 -0.006384 0.013391 -0.029951 0.001630 0.063854 9C 1dxy 0.034843 -0.004730 -0.006360 0.017198 0.054817 -0.065529 9C 2dz2 0.118636 0.004381 0.056807 0.000343 -0.166066 -0.082790 9C 2dxz -0.337283 0.230878 -0.016679 -0.098555 0.185020 0.006988 9C 2dyz 0.343532 -0.014224 0.072620 0.196695 -0.173191 -0.236214 9C 2dx2y2 0.128894 -0.060461 -0.077266 0.119193 0.258461 -0.154636 9C 2dxy -0.201335 0.107285 0.006662 -0.043631 -0.052440 0.140357 9C 1f0 -0.089994 -0.010348 -0.000167 -0.027544 -0.020684 0.130533 9C 1f+1 -0.020659 0.009556 -0.011302 -0.015425 0.024201 0.000552 9C 1f-1 -0.005878 -0.025878 0.009644 0.009407 0.020337 0.016146 9C 1f+2 0.095735 0.000345 -0.002804 0.021645 -0.096936 -0.042264 9C 1f-2 0.050382 -0.033287 0.017286 0.008726 -0.061451 0.002304 9C 1f+3 0.034267 0.011787 -0.006603 0.005207 -0.052282 -0.001855 9C 1f-3 -0.081971 0.031922 -0.010310 -0.032115 0.071941 0.014385 10H 1s -0.112392 -0.000869 0.008721 -0.027818 0.145939 -0.013470 10H 2s 1.339533 0.073066 0.091858 0.511150 -0.594487 0.655984 10H 3s -0.404669 -0.084122 -0.038617 -0.192542 0.275424 -0.098151 10H 1pz 0.264385 -0.014331 0.011427 0.141006 -0.114957 0.159842 10H 1px -0.452327 -0.060191 -0.021470 -0.135793 0.227892 -0.180233 10H 1py 0.041242 -0.040087 0.003669 0.032957 0.020896 0.109629 11H 1s 0.067568 0.031826 -0.011892 0.029740 -0.094345 -0.027346 11H 2s -0.522132 -0.287756 0.134872 -0.275254 0.496317 0.288385 11H 3s 0.152522 0.070558 -0.050571 0.052348 -0.107656 -0.010378 11H 1pz -0.135118 -0.066660 0.019174 -0.042154 0.120310 0.063460 11H 1px -0.018235 -0.063042 0.011545 -0.039569 0.027401 0.120395 11H 1py 0.222735 0.066210 -0.049660 0.079608 -0.157275 0.011695 12H 1s 0.009097 0.018668 -0.009238 -0.000223 0.001111 0.020353 12H 2s -0.525374 -0.133544 0.064863 -0.282506 -0.241680 -0.639965 12H 3s 0.060612 0.027682 -0.045834 0.001500 0.076174 0.143627 12H 1pz 0.057168 0.033765 -0.024869 0.008070 -0.045684 -0.028076 12H 1px 0.084941 0.005627 -0.016653 0.005539 -0.183002 -0.069327 12H 1py -0.249982 -0.047320 0.017768 -0.097876 -0.044273 -0.237956 13H 1s 0.091417 -0.023111 0.013176 0.043275 0.154433 0.002034 13H 2s -1.391385 0.263637 -0.552743 -0.234269 -0.089803 -0.997951 13H 3s 0.381103 -0.085740 -0.016963 0.003604 0.241461 0.080417 13H 1pz -0.318454 0.067417 -0.182884 -0.040708 0.072985 -0.279525 13H 1px 0.368839 -0.042906 0.058796 0.062807 0.184893 0.161325 13H 1py 0.209080 -0.028629 0.133399 0.082155 -0.037193 0.218233 14H 1s 0.030114 -0.002636 0.008721 0.039902 0.002000 0.032700 14H 2s 0.215779 -0.016611 0.336796 -0.035901 -0.445459 0.728794 14H 3s 0.002939 -0.016747 -0.071348 0.025084 0.128217 -0.119037 14H 1pz 0.168304 -0.004554 0.089068 0.058123 0.033486 0.236756 14H 1px -0.010840 -0.006325 0.106723 -0.030575 -0.255880 0.217313 14H 1py 0.039336 0.008982 -0.001688 0.008696 0.093931 -0.080265 15H 1s -0.060644 -0.010882 0.026226 -0.054585 -0.152253 -0.002285 15H 2s 0.733892 0.160687 0.002240 0.317523 0.584014 -0.061129 15H 3s -0.250169 -0.078709 -0.081875 -0.135004 -0.131208 -0.097092 15H 1pz -0.205742 -0.055975 -0.006578 -0.110568 -0.185918 -0.024562 15H 1px -0.066251 0.018886 -0.038486 -0.000728 -0.075337 -0.062851 15H 1py -0.200047 -0.040422 -0.006546 -0.078069 -0.129468 0.020874 16H 1s 0.017449 0.017088 0.018643 0.053823 0.027236 -0.013602 16H 2s 0.305177 0.856996 -1.393072 -1.076029 0.331187 0.527566 16H 3s 0.090138 0.115276 -0.156021 -0.107025 0.148748 0.040562 16H 1pz 0.168799 0.564704 -0.747723 -0.514768 0.225593 0.272984 16H 1px -0.044588 -0.038463 0.122646 0.046857 -0.097761 -0.054093 16H 1py 0.169081 0.183151 -0.447173 -0.322883 0.083269 0.159745 17H 1s -0.011619 -0.031215 0.019348 0.048828 0.034421 -0.007376 17H 2s 0.445064 -1.527534 -0.752452 -1.024857 0.147651 -0.080853 17H 3s 0.005196 -0.206858 -0.063680 -0.110715 0.161418 0.010842 17H 1pz -0.092923 0.538757 0.174164 0.286057 -0.053280 0.055862 17H 1px -0.173215 0.676526 0.263373 0.322929 -0.160146 0.038707 17H 1py 0.234031 -0.594385 -0.332504 -0.376468 0.068489 -0.001975 18H 1s 0.006664 -0.029860 0.021794 -0.051102 -0.027123 -0.020106 18H 2s -0.552120 -1.384230 -0.670912 1.023867 -0.165986 -0.102721 18H 3s -0.022122 -0.187391 -0.041865 0.107089 -0.158882 -0.038980 18H 1pz -0.140043 -0.503113 -0.152878 0.292596 -0.047935 -0.064253 18H 1px -0.224845 -0.612867 -0.227837 0.319782 -0.156313 -0.082227 18H 1py 0.271802 0.524003 0.296349 -0.367132 0.082026 0.015914 19H 1s -0.016252 0.016656 0.018192 -0.055923 -0.018180 -0.023952 19H 2s -0.193616 0.744040 -1.387468 1.162172 -0.547038 0.407311 19H 3s -0.076757 0.104220 -0.153276 0.116886 -0.158462 -0.009658 19H 1pz 0.096226 -0.491494 0.737040 -0.553949 0.328007 -0.188301 19H 1px -0.041215 0.036306 -0.127700 0.058327 -0.116582 0.020962 19H 1py 0.143605 -0.167427 0.458692 -0.356397 0.157205 -0.132251 20H 1s 0.057904 -0.018074 0.026882 0.053851 0.140753 0.045589 20H 2s -0.717016 0.218832 -0.014662 -0.308430 -0.516799 -0.237124 20H 3s 0.244748 -0.097339 -0.079194 0.136332 0.147926 -0.052148 20H 1pz -0.200992 0.072678 0.003432 -0.108807 -0.179571 -0.034439 20H 1px -0.069000 -0.014094 0.041253 -0.005528 -0.090850 0.033256 20H 1py -0.196411 0.056057 0.002882 -0.075716 -0.112929 -0.059654 21H 1s -0.028565 -0.001942 0.002355 -0.041381 -0.008002 0.031281 21H 2s -0.239717 0.024719 0.364136 0.018381 0.159280 0.798972 21H 3s 0.004120 -0.020705 -0.083630 -0.022934 -0.075959 -0.150860 21H 1pz 0.173190 -0.014282 -0.092980 0.065604 0.108868 -0.206591 21H 1px -0.004454 -0.000160 -0.114083 -0.026353 -0.162278 -0.275928 21H 1py 0.041165 -0.014249 -0.002997 0.006262 0.063443 0.102717 22H 1s -0.095046 -0.012114 0.015224 -0.045607 -0.144564 -0.046266 22H 2s 1.444309 0.122514 -0.549822 0.277038 0.401230 -0.906611 22H 3s -0.392741 -0.047994 -0.012992 -0.005958 -0.257997 0.003688 22H 1pz -0.331017 -0.036047 0.179469 -0.053747 -0.020455 0.280975 22H 1px 0.379464 0.004631 -0.063982 0.067977 0.224936 -0.096248 22H 1py 0.217000 0.009950 -0.125303 0.092558 0.030669 -0.216025 23H 1s -0.009548 0.020011 -0.008833 -0.000381 -0.005393 0.019472 23H 2s 0.509996 -0.230869 0.067390 0.305543 0.384677 -0.519397 23H 3s -0.062121 0.042913 -0.039705 -0.007462 -0.109044 0.113429 23H 1pz 0.056084 -0.039736 0.027425 0.006728 -0.050152 0.010066 23H 1px 0.084915 -0.000618 0.034976 0.000798 -0.182948 0.003485 23H 1py -0.241475 0.084807 -0.024290 -0.106247 -0.103119 0.207575 24H 1s -0.060616 0.036307 -0.021911 -0.025842 0.091785 0.003487 24H 2s 0.470527 -0.344682 0.201366 0.255466 -0.539932 0.112138 24H 3s -0.135870 0.087558 -0.067916 -0.049473 0.100712 0.026969 24H 1pz -0.125385 0.079102 -0.033656 -0.039031 0.132050 -0.020733 24H 1px -0.009602 0.072497 -0.018160 -0.036126 0.061599 -0.102994 24H 1py 0.209939 -0.083473 0.072355 0.074602 -0.139515 -0.063141 25H 1s 0.111240 -0.008417 0.021450 0.028403 -0.130757 -0.060445 25H 2s -1.318317 0.248374 0.002472 -0.561690 0.399183 0.822254 25H 3s 0.395707 -0.127000 -0.000878 0.200575 -0.233389 -0.188100 25H 1pz 0.263064 -0.024598 0.006930 0.153034 -0.069459 -0.190103 25H 1px -0.442502 0.111468 -0.010552 -0.147468 0.167008 0.248580 25H 1py 0.041137 0.028729 -0.006108 0.039694 0.044686 -0.092851 26O 1s -0.002872 0.000947 0.001020 0.000137 0.001882 -0.001921 26O 2s -0.008039 0.002313 0.003363 0.001523 0.006030 -0.004300 26O 3s 0.002185 -0.005528 -0.012693 -0.043327 -0.016887 -0.008848 26O 4s 0.313749 -0.107013 -0.038238 0.285893 -0.092104 0.226273 26O 5s 0.437585 0.778517 -0.177915 0.311292 -0.649217 0.245971 26O 1pz -0.118842 0.028873 0.043685 0.036286 0.205478 -0.094710 26O 1px -0.000811 0.011176 0.015044 0.012696 -0.034600 -0.104037 26O 1py 0.005531 -0.079657 -0.052656 -0.022789 0.033834 0.226445 26O 2pz 0.074693 -0.052547 -0.062430 -0.063855 -0.165157 0.183679 26O 2px -0.247192 -0.058265 0.039344 -0.176667 0.204917 0.062442 26O 2py -0.146287 0.095940 0.095107 -0.024699 0.077862 -0.355715 26O 3pz -0.116708 0.026185 0.137098 -0.022571 0.208912 -0.097548 26O 3px -0.029245 -0.295426 0.167060 -0.086753 -0.059503 -0.188409 26O 3py -0.077720 -0.189827 0.096447 -0.216587 -0.048752 0.093967 26O 1dz2 0.005956 -0.001359 0.001502 0.003893 -0.006289 -0.004918 26O 1dxz 0.003767 0.000950 -0.000778 0.002297 -0.002041 -0.002866 26O 1dyz 0.004477 0.001846 -0.000002 0.001994 -0.004158 -0.004207 26O 1dx2y2 -0.006868 0.003292 -0.001715 -0.000637 0.007097 -0.000813 26O 1dxy -0.002409 0.002292 -0.002961 -0.001357 0.000848 0.002666 26O 2dz2 -0.012664 -0.009968 0.005196 -0.013274 -0.034619 -0.073756 26O 2dxz 0.043000 0.005546 -0.010630 0.010973 -0.140869 -0.043697 26O 2dyz -0.013627 0.058811 -0.015450 -0.037080 -0.079308 -0.066250 26O 2dx2y2 -0.012677 0.062998 -0.020698 0.037387 0.091179 0.020427 26O 2dxy -0.011096 0.052605 -0.046100 -0.012363 -0.037104 0.018741 26O 1f0 0.000267 -0.000201 0.001036 -0.004881 -0.008088 -0.002373 26O 1f+1 -0.001445 0.004343 -0.003722 -0.000691 -0.001902 -0.003568 26O 1f-1 -0.003300 -0.001686 -0.001610 -0.000505 0.001540 0.006108 26O 1f+2 0.001168 -0.000612 -0.000297 0.002127 -0.001762 0.001260 26O 1f-2 -0.007133 0.001725 -0.001377 0.000496 0.008249 0.000297 26O 1f+3 0.000976 0.002791 -0.003858 -0.000032 -0.002407 -0.007509 26O 1f-3 0.011641 0.003604 -0.001719 0.008239 -0.005676 0.005245 27O 1s 0.004270 -0.001156 -0.000877 0.000309 0.002863 0.001763 27O 2s 0.012532 -0.004039 -0.005225 0.000872 0.010849 0.001809 27O 3s -0.022679 0.030982 0.071776 0.009101 -0.068806 0.069884 27O 4s -0.362260 0.013757 -0.360787 -0.104574 0.154249 -0.564994 27O 5s -0.422078 -1.041207 0.282578 -0.209693 -1.410153 -0.406807 27O 1pz -0.050568 0.056988 -0.045314 -0.044602 0.244238 -0.291702 27O 1px -0.030288 0.035165 0.014335 -0.005181 -0.015568 -0.005005 27O 1py -0.074404 0.041520 -0.001092 -0.126951 -0.123168 -0.135242 27O 2pz 0.063076 -0.081922 0.058176 0.081937 -0.259330 0.356757 27O 2px 0.332580 0.046149 0.089803 0.140105 0.220843 0.286964 27O 2py 0.009380 -0.081229 0.013043 0.093635 -0.010364 0.187771 27O 3pz 0.004364 -0.064518 -0.129525 -0.173182 0.187692 -0.287163 27O 3px 0.153605 0.439602 -0.214998 -0.216034 0.209162 0.281038 27O 3py -0.184436 0.034665 0.106928 -0.038031 -0.051834 0.016928 27O 1dz2 -0.002343 -0.000238 -0.006091 -0.002226 0.000945 -0.002868 27O 1dxz -0.005126 0.002145 -0.001815 -0.004701 -0.000714 -0.001408 27O 1dyz 0.003746 0.000757 -0.001110 0.005506 0.007945 -0.004002 27O 1dx2y2 0.006493 -0.001066 0.001248 0.007410 0.008994 -0.001717 27O 1dxy 0.002437 -0.001068 -0.003135 0.001166 0.005674 -0.004730 27O 2dz2 -0.022216 0.049621 -0.079444 -0.017629 0.043419 0.007221 27O 2dxz 0.011348 0.010339 -0.006757 -0.010032 -0.138801 0.105048 27O 2dyz -0.051879 0.043870 -0.041882 0.022471 0.121000 -0.092889 27O 2dx2y2 -0.034355 -0.054324 -0.010083 0.058152 0.082110 -0.104652 27O 2dxy -0.001486 0.051618 -0.053997 0.055709 0.220368 -0.074132 27O 1f0 0.001132 0.000820 0.000900 -0.001379 -0.005298 0.002361 27O 1f+1 -0.007226 -0.004182 -0.002279 -0.003535 -0.013685 -0.008435 27O 1f-1 0.001431 -0.000160 0.002119 0.000576 0.000141 0.006115 27O 1f+2 -0.004736 -0.002271 0.006453 -0.002250 -0.007248 0.010248 27O 1f-2 -0.006620 0.001114 -0.004164 -0.004119 -0.002311 -0.003643 27O 1f+3 -0.001011 -0.005869 -0.002366 -0.001211 -0.001036 -0.003543 27O 1f-3 0.005420 0.001653 -0.001635 0.005689 0.005747 0.000099 28O 1s -0.003280 -0.001521 -0.002939 0.001802 0.004287 0.002842 28O 2s -0.012096 -0.004121 -0.010302 0.005065 0.013474 0.006900 28O 3s 0.070606 0.004479 0.069410 -0.018419 -0.046349 -0.003110 28O 4s -0.091480 0.038191 -0.091534 -0.089270 -0.224886 -0.234497 28O 5s 1.349068 0.908810 -0.164645 0.190968 -0.656128 0.697375 28O 1pz 0.012841 0.000766 0.042904 0.011063 0.018909 0.000384 28O 1px -0.018462 0.036368 -0.010681 0.005484 0.012173 -0.037812 28O 1py -0.060989 -0.029446 -0.047405 -0.126603 -0.093820 -0.020660 28O 2pz -0.202249 -0.062146 -0.021607 -0.049583 0.210247 -0.043235 28O 2px 0.130437 0.057691 -0.012526 -0.028063 -0.199962 -0.020639 28O 2py 0.003715 0.034112 0.070514 0.138477 0.191518 -0.005852 28O 3pz -0.152552 -0.332516 -0.103715 0.294774 -0.162134 0.063128 28O 3px 0.346470 0.435250 -0.006930 -0.102790 -0.022175 0.101344 28O 3py -0.001270 -0.023798 -0.098281 -0.089599 -0.268225 0.034687 28O 1dz2 0.005490 -0.003737 0.000125 0.003462 -0.002724 0.009419 28O 1dxz -0.001091 -0.002121 -0.003497 0.000516 -0.004154 0.002176 28O 1dyz 0.008712 -0.000717 0.000297 0.002629 -0.010884 0.000580 28O 1dx2y2 0.000398 0.001855 0.000570 -0.001108 0.004441 0.002458 28O 1dxy 0.003210 0.001542 -0.000293 0.002517 -0.000826 -0.000181 28O 2dz2 0.162253 -0.027635 -0.023939 0.090401 -0.052005 0.172688 28O 2dxz -0.085018 -0.110811 -0.020890 0.009078 0.023925 0.027086 28O 2dyz 0.172007 0.035510 -0.008217 0.110169 -0.069254 0.039695 28O 2dx2y2 -0.031842 0.065971 -0.000313 -0.058038 0.043233 -0.008882 28O 2dxy -0.036188 0.008332 -0.006877 -0.032803 0.008565 -0.041349 28O 1f0 0.002138 0.003255 -0.001784 -0.002372 -0.000883 -0.001522 28O 1f+1 0.006678 0.001769 -0.002154 0.002322 -0.008313 0.003377 28O 1f-1 -0.006088 0.001576 -0.000056 -0.002171 0.008109 -0.005374 28O 1f+2 -0.003879 -0.006322 0.003062 -0.001428 0.003088 0.003708 28O 1f-2 0.004387 0.001306 0.000188 0.002907 -0.000570 0.000718 28O 1f+3 -0.002791 -0.003118 0.000784 -0.001776 0.004860 0.002888 28O 1f-3 0.003229 0.002913 0.001285 0.003036 0.004080 -0.001765 29O 1s 0.006190 -0.006827 -0.010572 -0.005022 0.011688 0.000882 29O 2s 0.015456 -0.018492 -0.022473 -0.005001 0.035414 0.000280 29O 3s 0.024117 0.011945 -0.163207 -0.244123 -0.130426 0.060668 29O 4s -0.316948 0.220668 0.909182 0.959597 -0.052618 -0.233520 29O 5s -0.369872 0.414780 1.119510 0.946126 -0.378860 -0.165281 29O 1pz 0.039271 0.462367 -0.216153 -0.045748 0.105285 0.113961 29O 1px 0.028238 0.254150 0.083815 -0.005044 -0.262041 0.015214 29O 1py 0.254364 -0.205079 -0.529142 -0.585116 -0.024571 0.119343 29O 2pz -0.027127 0.297075 -0.143591 -0.127103 -0.060691 0.106583 29O 2px -0.203195 0.142133 0.161767 0.339463 0.299886 -0.008539 29O 2py -0.151510 0.019571 0.258740 0.383109 0.195843 -0.094195 29O 3pz 0.040175 0.879217 -0.414944 -0.145966 0.256099 0.263504 29O 3px -0.017136 0.425791 0.138594 0.190179 -0.273424 0.013200 29O 3py 0.218889 -0.307694 -0.733526 -0.866419 0.074798 0.165005 29O 1dz2 0.002497 0.014508 -0.015140 -0.009425 0.005556 0.005276 29O 1dxz 0.004048 -0.019521 -0.002266 -0.004889 -0.001158 -0.003451 29O 1dyz -0.001053 0.021791 -0.009246 -0.005051 0.000138 0.006327 29O 1dx2y2 -0.001927 -0.003612 0.004270 0.000250 -0.001837 -0.001959 29O 1dxy -0.004585 0.015139 0.009249 0.012719 -0.001282 -0.000702 29O 2dz2 -0.170690 -0.135939 0.407939 0.276729 -0.113747 -0.147039 29O 2dxz -0.105807 0.328210 0.177519 0.174574 -0.124215 -0.010326 29O 2dyz 0.022297 -0.553833 0.123500 -0.008652 -0.042197 -0.110687 29O 2dx2y2 -0.054922 0.075517 0.018287 0.024354 0.065439 0.006782 29O 2dxy 0.047469 -0.264985 -0.069207 -0.108138 0.034745 -0.043479 29O 1f0 0.013621 -0.008015 -0.038890 -0.035221 0.012155 0.008909 29O 1f+1 -0.005103 0.011246 0.011795 0.012302 -0.003951 -0.001614 29O 1f-1 0.015828 0.018408 -0.054644 -0.044724 0.010967 0.017586 29O 1f+2 -0.004465 -0.009525 0.019141 0.014237 -0.008698 -0.007078 29O 1f-2 0.012332 -0.055763 -0.017871 -0.030112 0.003544 -0.003931 29O 1f+3 -0.007289 0.018206 0.009589 0.012233 -0.002087 0.000480 29O 1f-3 -0.005168 0.025315 0.004453 0.006497 -0.004542 0.002814 30O 1s 0.001737 -0.000399 -0.001546 0.001242 0.007245 -0.001626 30O 2s 0.007793 -0.001101 -0.002310 0.004815 0.021232 0.000219 30O 3s -0.064093 0.009374 -0.030888 -0.021078 -0.056303 -0.089742 30O 4s 0.199426 0.019453 0.255889 0.003582 -0.436139 0.657652 30O 5s -0.850061 -0.659843 0.094060 -1.308231 -0.517450 -1.276085 30O 1pz 0.056865 0.046411 0.108058 -0.044870 -0.010665 0.039021 30O 1px 0.084616 -0.009551 0.082575 0.016312 -0.059741 0.106248 30O 1py -0.026340 0.011649 0.076010 -0.024785 0.007851 0.023758 30O 2pz 0.000232 -0.033529 -0.194424 0.181719 0.228353 -0.061042 30O 2px -0.112662 -0.043559 0.004253 -0.122450 -0.179506 0.038692 30O 2py -0.082798 -0.038980 -0.096856 -0.098297 -0.263666 -0.058205 30O 3pz -0.002729 0.236291 0.004028 0.029378 -0.039110 0.110234 30O 3px -0.050373 -0.274842 0.303846 -0.379440 -0.209730 -0.106534 30O 3py -0.012185 -0.197244 0.134773 -0.167045 0.211009 -0.063736 30O 1dz2 0.001022 0.000547 0.001986 -0.000188 0.000839 0.007453 30O 1dxz -0.000250 0.002884 0.000396 -0.001642 -0.008160 0.003623 30O 1dyz 0.009186 0.003190 0.005316 0.008278 0.006833 0.009304 30O 1dx2y2 0.002815 -0.002440 0.006729 0.000544 0.004568 0.008870 30O 1dxy 0.002356 -0.002837 -0.001521 0.003942 0.008542 0.001612 30O 2dz2 -0.023097 0.023778 -0.016488 -0.012594 0.033276 -0.005236 30O 2dxz -0.019829 0.053387 -0.052631 0.015362 -0.026687 0.019459 30O 2dyz 0.203614 0.079468 0.060447 0.148159 0.034836 0.180153 30O 2dx2y2 0.173637 -0.041434 0.170107 0.048600 -0.044487 0.233417 30O 2dxy 0.001868 -0.035843 0.026176 -0.010749 -0.013433 0.039371 30O 1f0 -0.003769 -0.001732 0.000456 -0.007765 -0.015912 -0.004622 30O 1f+1 0.001048 -0.002078 0.002402 0.003380 -0.004079 -0.002008 30O 1f-1 -0.005014 0.000938 -0.000713 -0.001301 0.000364 -0.005444 30O 1f+2 -0.005227 0.003758 -0.005425 -0.001789 0.001540 -0.011453 30O 1f-2 0.005099 0.001967 -0.004629 0.001811 0.007906 -0.007857 30O 1f+3 -0.006201 0.001972 -0.000079 0.000709 0.002093 0.001204 30O 1f-3 0.003022 0.003121 -0.002354 0.006789 -0.000812 -0.001995 31O 1s -0.001770 -0.000206 -0.001299 -0.001029 -0.006334 -0.003857 31O 2s -0.007952 -0.000285 -0.001627 -0.004329 -0.020151 -0.006697 31O 3s 0.066354 0.004375 -0.032842 0.021975 0.081756 -0.064098 31O 4s -0.203651 0.026234 0.243201 -0.023723 0.201582 0.740302 31O 5s 0.794497 -0.806853 0.082884 1.286934 0.900760 -0.982987 31O 1pz 0.053372 -0.046420 -0.106526 -0.041289 -0.000647 -0.035472 31O 1px 0.086541 0.005893 -0.076579 0.021419 -0.024506 -0.117458 31O 1py -0.025967 -0.009416 -0.077821 -0.022050 0.014706 -0.014350 31O 2pz 0.001262 0.019106 0.190926 0.173499 0.199783 0.123801 31O 2px -0.107722 0.059034 -0.004679 -0.117305 -0.155449 -0.093347 31O 2py -0.081032 0.052607 0.100511 -0.101974 -0.265773 -0.036414 31O 3pz -0.019461 -0.246314 -0.026798 0.008003 0.011164 -0.111937 31O 3px -0.022840 0.319588 -0.277250 -0.346123 -0.249204 0.012857 31O 3py 0.001635 0.220427 -0.115100 -0.135756 0.163102 0.131940 31O 1dz2 -0.001002 0.000714 0.002215 0.000034 -0.003306 0.006532 31O 1dxz 0.000487 0.003086 0.000488 0.001725 0.006421 0.005941 31O 1dyz -0.008997 0.004325 0.004922 -0.008632 -0.009243 0.006424 31O 1dx2y2 -0.003147 -0.002622 0.006520 -0.001341 -0.006937 0.007008 31O 1dxy -0.002540 -0.002719 -0.001634 -0.004070 -0.008607 -0.001136 31O 2dz2 0.025418 0.023666 -0.010321 0.014883 -0.032425 -0.017213 31O 2dxz 0.025399 0.057830 -0.048235 -0.008865 0.013832 0.025131 31O 2dyz -0.197391 0.100795 0.052583 -0.151195 -0.088168 0.150819 31O 2dx2y2 -0.181663 -0.033873 0.160109 -0.064921 -0.027078 0.230712 31O 2dxy -0.003894 -0.042036 0.019822 0.004924 0.001611 0.039353 31O 1f0 -0.003503 0.002501 -0.000353 -0.007774 -0.016400 -0.000725 31O 1f+1 0.001253 0.001834 -0.002033 0.003503 -0.004494 0.000620 31O 1f-1 -0.005095 -0.000502 0.000463 -0.001519 -0.001331 0.005111 31O 1f+2 -0.005617 -0.003495 0.004918 -0.002539 -0.002161 0.011201 31O 1f-2 0.004858 -0.002481 0.004510 0.001370 0.004945 0.009752 31O 1f+3 -0.006372 -0.001743 -0.000288 0.000624 0.002496 -0.000272 31O 1f-3 0.002621 -0.003853 0.002418 0.006304 -0.001095 0.002027 32O 1s -0.006535 -0.006356 -0.009832 0.005262 -0.011570 -0.003076 32O 2s -0.016609 -0.017167 -0.020576 0.005360 -0.033697 -0.011817 32O 3s -0.017146 0.009597 -0.161732 0.252822 0.088938 0.108035 32O 4s 0.307757 0.207588 0.876955 -0.996667 0.182214 -0.226845 32O 5s 0.376961 0.405921 1.065071 -0.984788 0.455438 -0.040962 32O 1pz -0.013033 -0.420581 0.216634 -0.051244 0.138692 -0.068171 32O 1px 0.005080 -0.231176 -0.068072 -0.002799 -0.242447 -0.099666 32O 1py 0.257037 0.182559 0.512193 -0.603996 0.048314 -0.135603 32O 2pz -0.052362 -0.259585 0.156749 -0.148925 -0.017108 -0.128367 32O 2px -0.206393 -0.126858 -0.162113 0.341847 0.260166 0.113014 32O 2py -0.149209 -0.030176 -0.250942 0.391435 0.136566 0.161034 32O 3pz -0.052867 -0.794003 0.421084 -0.168770 0.334581 -0.162383 32O 3px -0.051859 -0.379399 -0.111593 0.193064 -0.265061 -0.093064 32O 3py 0.222659 0.274359 0.701049 -0.894224 0.169737 -0.153322 32O 1dz2 -0.000932 0.011961 -0.014922 0.010389 -0.007474 0.003148 32O 1dxz -0.005743 -0.018051 -0.001479 0.004616 0.001929 -0.002875 32O 1dyz 0.003072 0.019530 -0.010207 0.006262 -0.002642 0.006102 32O 1dx2y2 0.001378 -0.003651 0.004500 -0.000448 0.002535 -0.001222 32O 1dxy 0.005501 0.013303 0.008316 -0.012653 0.002010 -0.000546 32O 2dz2 0.153117 -0.094097 0.397572 -0.295157 0.170315 -0.100328 32O 2dxz 0.131929 0.309113 0.155171 -0.175022 0.128429 0.030127 32O 2dyz -0.065930 -0.498803 0.160455 -0.024614 0.083400 -0.093349 32O 2dx2y2 0.063488 0.083885 0.015574 -0.023070 -0.064137 -0.011337 32O 2dxy -0.063447 -0.228337 -0.053319 0.101740 -0.023614 -0.048493 32O 1f0 0.012458 0.008621 0.034241 -0.034000 0.015190 -0.004278 32O 1f+1 -0.006641 -0.012087 -0.012415 0.014451 -0.005394 0.000430 32O 1f-1 0.013346 -0.014619 0.055219 -0.049169 0.019145 -0.013863 32O 1f+2 -0.003952 0.007510 -0.020891 0.017474 -0.012061 0.004454 32O 1f-2 0.016396 0.050836 0.014195 -0.028977 0.003095 0.004309 32O 1f+3 -0.007956 -0.014364 -0.008232 0.011341 -0.002314 -0.000570 32O 1f-3 -0.007155 -0.022994 -0.002967 0.005820 -0.003568 -0.004021 33O 1s 0.003161 -0.001524 -0.002526 -0.001696 -0.004933 0.001084 33O 2s 0.011770 -0.004391 -0.008926 -0.004543 -0.015147 0.001490 33O 3s -0.070621 0.007831 0.062761 0.012816 0.050722 0.014750 33O 4s 0.093637 0.017831 -0.094920 0.106944 0.252110 -0.139933 33O 5s -1.239950 1.089976 -0.229157 -0.193099 0.429439 0.874500 33O 1pz 0.012942 -0.000732 -0.041280 0.012981 0.012505 0.008148 33O 1px -0.020959 -0.031486 0.011124 -0.000151 0.002733 0.041975 33O 1py -0.055091 0.039000 0.041043 -0.127097 -0.087926 -0.015950 33O 2pz -0.191955 0.076511 0.000130 -0.049814 0.186171 0.108594 33O 2px 0.122403 -0.072586 0.022866 -0.027516 -0.188621 -0.053286 33O 2py -0.003166 -0.039461 -0.069853 0.138289 0.170829 0.074373 33O 3pz -0.125060 0.374430 0.126814 0.288038 -0.116917 -0.084185 33O 3px 0.302756 -0.481841 0.015526 -0.108925 0.005333 -0.109661 33O 3py 0.000365 0.033344 0.100393 -0.097323 -0.228143 -0.108951 33O 1dz2 -0.005725 -0.003430 -0.000422 -0.003866 -0.000026 0.009799 33O 1dxz 0.001056 -0.002663 -0.003844 -0.000409 0.002783 0.003466 33O 1dyz -0.008709 -0.000094 -0.000689 -0.002727 0.010359 0.004077 33O 1dx2y2 -0.000219 0.002333 0.001022 0.000957 -0.004671 0.000892 33O 1dxy -0.002967 0.001811 -0.000652 -0.002481 0.000791 -0.000030 33O 2dz2 -0.159887 -0.008904 -0.033682 -0.097887 0.001927 0.177114 33O 2dxz 0.075097 -0.125677 -0.020112 -0.010416 -0.033016 0.015116 33O 2dyz -0.165193 0.055725 -0.023390 -0.111333 0.059826 0.055056 33O 2dx2y2 0.036599 0.063720 0.006407 0.061196 -0.039012 -0.020341 33O 2dxy 0.037490 -0.000762 -0.004640 0.036205 0.000293 -0.043636 33O 1f0 0.001774 -0.003757 0.001630 -0.002523 -0.001484 0.001307 33O 1f+1 0.006194 -0.002432 0.002852 0.002277 -0.006637 -0.005883 33O 1f-1 -0.006138 -0.001328 -0.000726 -0.002478 0.006365 0.007623 33O 1f+2 -0.003104 0.006918 -0.003362 -0.000951 0.003520 -0.002318 33O 1f-2 0.004495 -0.001582 0.000175 0.002925 -0.000189 -0.000963 33O 1f+3 -0.002302 0.003445 -0.001249 -0.001519 0.005104 -0.001096 33O 1f-3 0.003056 -0.003093 -0.001050 0.002986 0.003247 0.003019 34O 1s -0.004265 -0.000863 -0.000830 -0.000556 -0.003161 0.000798 34O 2s -0.012505 -0.003175 -0.004962 -0.001476 -0.010519 -0.001514 34O 3s 0.022868 0.028773 0.067050 -0.009519 0.041778 0.084757 34O 4s 0.368825 -0.007050 -0.329350 0.133202 0.028064 -0.566056 34O 5s 0.323414 -1.001177 0.260454 0.201927 1.448779 0.039251 34O 1pz -0.055560 -0.052179 0.035338 -0.053859 0.134417 0.345563 34O 1px -0.032707 -0.032631 -0.015319 -0.007895 -0.016122 0.000820 34O 1py -0.077780 -0.029064 -0.001847 -0.132153 -0.159049 0.082892 34O 2pz 0.070756 0.074157 -0.047095 0.094145 -0.128095 -0.410259 34O 2px 0.327684 -0.062293 -0.075864 0.156015 0.293753 -0.197267 34O 2py 0.016821 0.071615 -0.011354 0.100597 0.052837 -0.172549 34O 3pz 0.006344 0.067029 0.119582 -0.184389 0.090702 0.331194 34O 3px 0.102625 -0.410817 0.200571 -0.225613 0.299495 -0.200571 34O 3py -0.180974 -0.019082 -0.115267 -0.036652 -0.050382 -0.042425 34O 1dz2 0.002475 -0.000632 -0.006082 0.002566 -0.000212 -0.002846 34O 1dxz 0.005405 0.001468 -0.001619 0.004815 0.001081 -0.000949 34O 1dyz -0.003588 0.001095 -0.001207 -0.005323 -0.006180 -0.006275 34O 1dx2y2 -0.006654 -0.000125 0.001060 -0.007411 -0.007676 -0.004656 34O 1dxy -0.002513 -0.000773 -0.003070 -0.000847 -0.003867 -0.006110 34O 2dz2 0.029246 0.042322 -0.077491 0.021669 -0.046408 -0.005089 34O 2dxz -0.009249 0.010838 -0.011082 0.010512 0.094671 0.139334 34O 2dyz 0.057320 0.041409 -0.035365 -0.017358 -0.084993 -0.122032 34O 2dx2y2 0.028887 -0.047204 -0.009029 -0.056869 -0.041777 -0.122610 34O 2dxy 0.008021 0.049290 -0.052616 -0.053309 -0.181094 -0.134941 34O 1f0 0.001035 -0.000628 -0.000596 -0.001336 -0.004286 -0.003853 34O 1f+1 -0.006796 0.004630 0.002243 -0.003793 -0.015318 0.003453 34O 1f-1 0.001460 -0.000037 -0.002078 0.000791 0.002002 -0.005585 34O 1f+2 -0.004351 0.002453 -0.006582 -0.001739 -0.003714 -0.011954 34O 1f-2 -0.006889 -0.000577 0.003859 -0.004476 -0.003194 0.002779 34O 1f+3 -0.000437 0.005496 0.002189 -0.001299 -0.002243 0.002909 34O 1f-3 0.005152 -0.002345 0.001956 0.005590 0.005371 0.001558 35O 1s 0.002900 0.000833 0.001360 -0.000251 -0.000970 -0.002438 35O 2s 0.008131 0.002132 0.004396 -0.001984 -0.003503 -0.006120 35O 3s -0.003608 -0.008716 -0.014587 0.047128 0.010693 -0.000838 35O 4s -0.313071 -0.071778 -0.063780 -0.298670 0.042976 0.229662 35O 5s -0.373448 0.712075 -0.289634 -0.262196 0.513791 0.458637 35O 1pz -0.117901 -0.022580 -0.055097 0.035491 0.160140 0.155492 35O 1px 0.000900 -0.007320 -0.011069 0.009956 -0.061356 0.084738 35O 1py 0.008412 0.071669 0.046732 -0.016898 0.099104 -0.198711 35O 2pz 0.073963 0.045015 0.066492 -0.060319 -0.095683 -0.225964 35O 2px -0.240134 0.065406 -0.074451 -0.169896 0.212740 0.006303 35O 2py -0.147342 -0.080193 -0.103322 -0.031903 -0.032332 0.355060 35O 3pz -0.113544 -0.017317 -0.150397 -0.012810 0.152809 0.149998 35O 3px -0.003452 0.254348 -0.191183 -0.058762 -0.112586 0.155819 35O 3py -0.065044 0.167358 -0.123271 -0.194067 -0.022629 -0.112716 35O 1dz2 -0.006164 -0.000755 0.000746 -0.003911 0.007422 -0.002711 35O 1dxz -0.003662 0.001467 -0.001079 -0.002338 0.002652 -0.002025 35O 1dyz -0.004216 0.002232 -0.000466 -0.001858 0.004964 -0.002510 35O 1dx2y2 0.007057 0.002252 -0.001382 0.000983 -0.006632 -0.002965 35O 1dxy 0.002647 0.001956 -0.002829 0.001499 -0.001903 0.002330 35O 2dz2 0.010836 -0.008012 0.005651 0.013313 0.052857 -0.056234 35O 2dxz -0.043028 0.002688 -0.021588 -0.008294 0.139879 0.006216 35O 2dyz 0.020787 0.052609 -0.018686 0.042540 0.087046 -0.032025 35O 2dx2y2 0.018507 0.059599 -0.021964 -0.032968 -0.089009 -0.011606 35O 2dxy 0.015386 0.040815 -0.050223 0.017131 0.024804 0.032342 35O 1f0 0.000278 0.000290 -0.001063 -0.004781 -0.008318 -0.000533 35O 1f+1 -0.001953 -0.003897 0.003913 -0.001248 -0.002724 0.002648 35O 1f-1 -0.003343 0.001815 0.001273 -0.000347 0.003000 -0.005276 35O 1f+2 0.001303 0.000528 0.000633 0.002165 -0.001311 -0.001856 35O 1f-2 -0.007393 -0.001096 0.000887 0.000189 0.008143 0.002595 35O 1f+3 0.000630 -0.002458 0.004059 -0.000554 -0.004438 0.006577 35O 1f-3 0.011009 -0.004229 0.003135 0.008050 -0.003702 -0.006618 456 457 458 459 460 461 2.66660 2.67930 2.69109 2.69491 2.70917 2.71132 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s -0.000790 -0.001463 -0.001009 0.000257 -0.000805 0.000782 0Rh 2s 0.001763 0.005594 0.007825 -0.015644 0.009454 -0.008350 0Rh 3s -0.003598 -0.005246 -0.001208 -0.008005 0.000996 -0.000452 0Rh 4s -0.009098 -0.029046 -0.040765 0.081101 -0.048864 0.043467 0Rh 5s 0.000028 0.033583 0.080031 -0.206836 0.102966 -0.093115 0Rh 6s 0.070188 0.069854 -0.057208 0.322781 -0.093484 0.090861 0Rh 7s -0.400639 -0.567522 0.131186 -1.170127 0.497698 -0.180761 0Rh 8s 0.164059 -0.071860 0.031048 0.466953 -0.215697 -0.108903 0Rh 1pz -0.007751 -0.011309 -0.004727 0.000828 -0.003284 -0.010015 0Rh 1px -0.002851 -0.008069 0.000090 -0.004580 -0.000415 -0.000822 0Rh 1py -0.004436 0.002494 -0.006748 -0.000116 -0.002977 -0.005724 0Rh 2pz 0.028287 0.041471 0.016943 -0.002768 0.011527 0.035702 0Rh 2px 0.010087 0.028521 -0.000561 0.015538 0.002997 0.003286 0Rh 2py 0.015978 -0.009287 0.024446 0.000127 0.011095 0.020214 0Rh 3pz -0.036104 -0.057031 -0.014867 -0.001863 -0.004667 -0.026947 0Rh 3px -0.006236 -0.016175 0.005459 0.005311 -0.034617 -0.010139 0Rh 3py -0.016363 0.015294 -0.026929 0.005983 -0.019128 -0.011222 0Rh 4pz -0.048550 -0.053530 -0.059237 0.027863 -0.064694 -0.143560 0Rh 4px -0.045366 -0.138892 -0.017996 -0.134848 0.123431 0.019214 0Rh 4py -0.041666 0.004038 -0.062340 -0.025169 0.003907 -0.098114 0Rh 5pz 0.074118 0.068825 0.105592 -0.052637 0.128642 0.262533 0Rh 5px 0.079060 0.267308 0.028998 0.254494 -0.245300 -0.035735 0Rh 5py 0.054708 -0.007319 0.105872 0.040297 -0.029849 0.184296 0Rh 6pz 0.141402 0.375124 0.229735 0.077575 -0.112836 -0.083247 0Rh 6px -0.033142 -0.213906 0.022420 -0.366088 0.626652 0.087579 0Rh 6py 0.167358 -0.434065 0.343300 0.070017 0.270815 -0.254543 0Rh 1dz2 0.008507 -0.000767 -0.016228 -0.010311 -0.004094 -0.017958 0Rh 1dxz -0.008325 -0.007796 0.013019 -0.010678 -0.007777 -0.000182 0Rh 1dyz 0.026850 -0.006852 -0.007954 -0.011155 -0.018177 -0.002027 0Rh 1dx2y2 0.009059 -0.001098 -0.017157 0.019047 0.013339 0.019305 0Rh 1dxy 0.006259 0.005762 -0.006797 -0.006944 -0.013504 0.017334 0Rh 2dz2 -0.002984 0.002954 0.002106 0.002366 0.000936 0.000493 0Rh 2dxz -0.000440 0.001412 0.000578 0.002108 -0.000796 0.002165 0Rh 2dyz -0.002131 0.001049 0.009531 0.002682 0.004066 0.001457 0Rh 2dx2y2 -0.002842 -0.000339 0.000702 -0.002501 0.001746 -0.001353 0Rh 2dxy -0.002580 0.000884 0.003812 -0.001055 0.001126 0.001068 0Rh 3dz2 -0.011443 -0.010861 0.037349 0.019014 0.007309 0.050041 0Rh 3dxz 0.025737 0.016263 -0.040393 0.021424 0.026335 -0.009415 0Rh 3dyz -0.067450 0.014785 -0.020931 0.020078 0.034321 -0.000802 0Rh 3dx2y2 -0.013508 0.005061 0.046571 -0.043950 -0.047071 -0.050006 0Rh 3dxy -0.006400 -0.020717 0.002228 0.024960 0.034108 -0.055505 0Rh 4dz2 -0.036936 0.039365 0.030245 0.035359 0.019206 0.002910 0Rh 4dxz -0.003396 0.018540 0.011582 0.029113 -0.014104 0.034909 0Rh 4dyz -0.032623 0.018915 0.153899 0.039803 0.059224 0.023067 0Rh 4dx2y2 -0.037266 -0.010612 0.006671 -0.031312 0.034310 -0.016609 0Rh 4dxy -0.036935 0.014618 0.059284 -0.016856 0.015275 0.022792 0Rh 5dz2 0.142199 -0.104631 -0.248411 -0.232572 -0.163683 -0.203974 0Rh 5dxz -0.097869 -0.124830 0.103141 -0.203588 -0.048511 -0.137475 0Rh 5dyz 0.373615 -0.151438 -0.660141 -0.251052 -0.400653 -0.104407 0Rh 5dx2y2 0.186950 0.067445 -0.204574 0.275989 0.003395 0.281330 0Rh 5dxy 0.170248 0.020494 -0.285953 -0.023716 -0.193874 0.099188 0Rh 1f0 0.001111 -0.048383 0.037404 0.026447 0.026605 -0.004377 0Rh 1f+1 0.035231 0.013044 0.037597 -0.013784 0.005841 0.057235 0Rh 1f-1 0.095101 0.092845 0.065500 0.004671 0.054584 0.138764 0Rh 1f+2 -0.070189 -0.130271 -0.019025 -0.035809 -0.016910 -0.079666 0Rh 1f-2 0.069045 -0.019561 0.091052 -0.011426 0.027047 0.061727 0Rh 1f+3 0.004606 0.067422 -0.037803 -0.025637 -0.003615 0.047173 0Rh 1f-3 -0.019170 -0.003079 0.011724 -0.015593 0.005967 0.040119 1Rh 1s -0.000908 -0.001641 0.001026 0.000282 -0.001007 -0.000674 1Rh 2s 0.002594 0.006835 -0.007591 -0.015753 0.011358 0.007455 1Rh 3s -0.003792 -0.005548 0.001451 -0.007922 0.000961 0.000545 1Rh 4s -0.013418 -0.035500 0.039551 0.081666 -0.058788 -0.038840 1Rh 5s 0.008125 0.045655 -0.076289 -0.207609 0.123651 0.084298 1Rh 6s 0.065701 0.063288 0.049371 0.322184 -0.112041 -0.086297 1Rh 7s -0.395142 -0.559701 -0.096578 -1.166524 0.534222 0.156297 1Rh 8s 0.177827 -0.053272 -0.043666 0.468082 -0.197113 0.117741 1Rh 1pz 0.007868 0.011672 -0.005006 -0.001097 0.002359 -0.010299 1Rh 1px 0.002819 0.008087 -0.000093 0.004613 0.000400 -0.001015 1Rh 1py 0.004212 -0.002895 -0.006851 -0.000043 0.002461 -0.006001 1Rh 2pz -0.028721 -0.042780 0.017974 0.003723 -0.008245 0.036701 1Rh 2px -0.009971 -0.028577 0.000074 -0.015646 -0.002862 0.004105 1Rh 2py -0.015184 0.010728 0.024808 0.000443 -0.009282 0.021248 1Rh 3pz 0.036778 0.058330 -0.016378 0.001217 0.002486 -0.027367 1Rh 3px 0.006071 0.016108 0.005359 -0.005425 0.032811 -0.013561 1Rh 3py 0.015817 -0.016639 -0.027090 -0.006431 0.018379 -0.012997 1Rh 4pz 0.048903 0.057536 -0.060158 -0.031830 0.050360 -0.149119 1Rh 4px 0.045083 0.139343 -0.022141 0.136261 -0.116796 0.027588 1Rh 4py 0.038149 -0.008920 -0.064123 0.022945 -0.013783 -0.097777 1Rh 5pz -0.074978 -0.076265 0.106343 0.058926 -0.103218 0.273736 1Rh 5px -0.077727 -0.266712 0.036704 -0.258021 0.232952 -0.052528 1Rh 5py -0.047566 0.017079 0.108560 -0.036258 0.048518 0.181389 1Rh 6pz -0.143825 -0.380809 0.249644 -0.062577 0.113840 -0.105890 1Rh 6px 0.017714 0.185958 0.016899 0.388638 -0.602244 0.133773 1Rh 6py -0.181993 0.419798 0.335601 -0.069406 -0.315048 -0.217645 1Rh 1dz2 0.009487 0.000329 0.015852 -0.009774 -0.001405 0.018407 1Rh 1dxz -0.007884 -0.007031 -0.012408 -0.010691 -0.005682 0.000855 1Rh 1dyz 0.027001 -0.006302 0.006411 -0.010983 -0.017729 0.004217 1Rh 1dx2y2 0.008937 -0.001520 0.016631 0.018690 0.009348 -0.020867 1Rh 1dxy 0.006115 0.005876 0.006319 -0.007121 -0.014876 -0.015810 1Rh 2dz2 -0.002968 0.002917 -0.002129 0.002275 0.000809 -0.000634 1Rh 2dxz -0.000354 0.001516 -0.000631 0.002051 -0.000977 -0.002119 1Rh 2dyz -0.002309 0.000670 -0.009333 0.002480 0.003793 -0.001954 1Rh 2dx2y2 -0.002914 -0.000513 -0.000639 -0.002457 0.001914 0.001232 1Rh 2dxy -0.002712 0.000653 -0.003669 -0.001116 0.001126 -0.001183 1Rh 3dz2 -0.014346 -0.013859 -0.036180 0.017869 0.000069 -0.050659 1Rh 3dxz 0.024068 0.013569 0.038852 0.021717 0.021057 0.007246 1Rh 3dyz -0.067065 0.014948 0.024505 0.020501 0.034264 -0.003299 1Rh 3dx2y2 -0.012831 0.007078 -0.045349 -0.043113 -0.036224 0.055137 1Rh 3dxy -0.005379 -0.019985 -0.001493 0.025757 0.038123 0.051595 1Rh 4dz2 -0.036442 0.038939 -0.030270 0.034060 0.017854 -0.005728 1Rh 4dxz -0.001996 0.020391 -0.012135 0.028251 -0.016408 -0.034124 1Rh 4dyz -0.035492 0.012772 -0.151161 0.036679 0.054995 -0.030355 1Rh 4dx2y2 -0.038348 -0.013384 -0.005552 -0.030711 0.035927 0.013750 1Rh 4dxy -0.039032 0.010945 -0.057178 -0.017902 0.014673 -0.024341 1Rh 5dz2 0.150067 -0.091105 0.241947 -0.222922 -0.128992 0.225186 1Rh 5dxz -0.097076 -0.121890 -0.096118 -0.201332 -0.016315 0.143905 1Rh 5dyz 0.386732 -0.121523 0.635053 -0.238986 -0.380330 0.153363 1Rh 5dx2y2 0.186846 0.069515 0.193369 0.270273 -0.047768 -0.284156 1Rh 5dxy 0.175776 0.034361 0.273516 -0.021532 -0.206489 -0.077254 1Rh 1f0 -0.000261 0.051026 0.037332 -0.026948 -0.027153 -0.001553 1Rh 1f+1 -0.036074 -0.012964 0.037581 0.016327 0.001321 0.057594 1Rh 1f-1 -0.095820 -0.094988 0.068885 0.000059 -0.039605 0.143351 1Rh 1f+2 0.072691 0.134961 -0.022493 0.031669 0.010323 -0.081982 1Rh 1f-2 -0.066219 0.024945 0.092035 0.012937 -0.019014 0.064066 1Rh 1f+3 -0.007509 -0.072405 -0.037313 0.027920 0.009508 0.046246 1Rh 1f-3 0.020754 0.004928 0.011108 0.016200 -0.000242 0.039950 2C 1s 0.001452 0.002250 0.000777 -0.005904 0.007667 -0.009632 2C 2s 0.001578 0.004534 0.001571 -0.019414 0.026285 -0.033167 2C 3s -0.388516 0.073015 -0.121816 -0.145823 0.314624 -0.149926 2C 4s 2.239370 -0.713008 0.390102 1.074148 -2.565347 1.525797 2C 5s 1.477219 0.244076 0.002280 -1.813686 0.058979 -2.899458 2C 1pz -0.123080 0.008274 -0.046565 -0.032742 0.076709 0.010405 2C 1px -0.064105 -0.071107 -0.079790 -0.019755 -0.045321 -0.046122 2C 1py -0.074953 0.016083 0.001884 -0.021429 0.096845 -0.006956 2C 2pz 0.557273 -0.924078 -0.439036 -0.333979 -0.511298 -1.034410 2C 2px 1.272039 0.580127 0.347536 -0.084068 -0.202748 0.200840 2C 2py 0.577168 0.170654 0.207971 -0.177234 0.187272 -0.570834 2C 3pz 0.311856 -0.105229 -0.021674 -0.376709 -0.202885 -0.586797 2C 3px 0.058703 0.099010 0.085421 -0.085497 0.088216 -0.008347 2C 3py 0.384911 -0.000629 0.040651 -0.216261 0.035196 -0.331289 2C 1dz2 0.057365 0.065459 0.068394 0.087308 -0.047158 0.163565 2C 1dxz 0.102958 0.028305 0.029586 0.037132 -0.062811 0.095001 2C 1dyz 0.060515 -0.018511 0.023467 0.125830 -0.184534 0.237087 2C 1dx2y2 -0.085260 -0.045140 -0.033205 -0.051440 0.050692 -0.118616 2C 1dxy 0.020641 0.106268 0.056133 0.023729 0.033637 0.043707 2C 2dz2 -0.030092 -0.268270 -0.150738 -0.168348 -0.030509 -0.461462 2C 2dxz -0.118084 0.069546 0.066578 -0.078215 0.191444 -0.131616 2C 2dyz 0.325271 -0.031148 -0.060436 -0.204911 0.107041 -0.472045 2C 2dx2y2 0.283351 0.465265 0.283977 0.118402 0.103067 0.373285 2C 2dxy 0.160385 -0.116288 0.040680 -0.018866 -0.016706 0.011193 2C 1f0 0.025339 0.120427 0.081536 0.025757 0.069503 0.037917 2C 1f+1 -0.025225 -0.010774 -0.032985 -0.014836 -0.003510 -0.017011 2C 1f-1 0.041855 0.001255 0.022563 0.057927 -0.068678 0.090019 2C 1f+2 -0.112169 0.058060 0.020003 -0.039332 0.154600 -0.095789 2C 1f-2 0.014694 0.030211 0.029559 0.049993 0.009351 0.052605 2C 1f+3 -0.047671 0.008456 -0.006179 -0.027887 0.087916 -0.056433 2C 1f-3 0.028983 -0.069650 -0.054346 -0.013746 -0.055760 -0.010432 3C 1s -0.000410 0.001147 -0.004055 -0.008442 -0.000916 0.002073 3C 2s 0.000009 0.002673 -0.013241 -0.029089 -0.003366 0.006330 3C 3s 0.324313 -0.097142 -0.099787 -0.378198 0.035124 0.086277 3C 4s -2.064283 0.397555 1.009152 2.822852 0.103032 -0.712320 3C 5s -1.253961 -0.064780 -0.184502 -0.924824 0.937072 0.467503 3C 1pz 0.085012 0.024706 -0.080553 -0.080848 0.006563 0.026021 3C 1px 0.016494 -0.043547 0.033646 -0.040056 0.020694 -0.008672 3C 1py -0.074016 0.053511 0.001542 0.087399 -0.023689 -0.004503 3C 2pz -0.034962 -0.178341 -0.073245 -0.167427 0.025532 -0.153660 3C 2px -0.437907 0.780417 -0.604956 0.150457 -0.113892 0.210255 3C 2py 1.100704 0.086154 -0.556458 -0.269130 -0.031556 0.212110 3C 3pz -0.351777 0.146634 -0.001271 -0.026144 0.087967 0.030206 3C 3px -0.098599 0.020744 -0.203761 -0.071189 0.088545 0.084321 3C 3py 0.377363 0.107941 -0.106682 0.087481 -0.276039 -0.000486 3C 1dz2 -0.049660 -0.034262 0.076043 0.000796 -0.000910 -0.025481 3C 1dxz -0.011292 0.072490 -0.026684 0.077638 -0.003074 0.004302 3C 1dyz 0.008831 0.016528 -0.049279 -0.169376 -0.013990 0.040803 3C 1dx2y2 0.042482 -0.047044 -0.020188 -0.143565 -0.016182 0.007030 3C 1dxy 0.073714 -0.004105 -0.075738 -0.125878 0.022695 0.023662 3C 2dz2 0.042092 -0.057276 0.018475 -0.008844 0.004946 -0.037914 3C 2dxz -0.089562 -0.235137 0.152926 -0.057525 0.062613 -0.062298 3C 2dyz 0.379082 -0.108743 -0.118485 0.067078 0.066698 -0.015575 3C 2dx2y2 0.024950 0.183891 -0.089766 0.187018 -0.058795 0.106022 3C 2dxy -0.017693 -0.089850 0.274741 0.130147 0.002459 -0.039176 3C 1f0 -0.060377 -0.022140 0.054077 0.012660 0.001719 -0.008706 3C 1f+1 -0.069188 0.005977 0.054199 0.041213 0.008983 -0.019195 3C 1f-1 0.115109 0.030816 -0.108769 -0.051823 -0.005573 0.027816 3C 1f+2 0.050664 -0.027100 -0.004221 -0.140936 0.004451 0.019195 3C 1f-2 0.073082 -0.009655 -0.091499 -0.105851 -0.008555 0.023959 3C 1f+3 -0.031951 -0.057954 0.080169 0.028543 0.003535 -0.032035 3C 1f-3 -0.005994 -0.020104 0.068211 0.000074 -0.028492 -0.019902 4C 1s -0.005771 0.001026 -0.001668 0.002157 -0.002361 0.000862 4C 2s -0.025874 0.000932 -0.009516 -0.002047 -0.000645 -0.008372 4C 3s 0.447475 -0.070859 0.246285 0.146448 0.105184 0.103862 4C 4s -1.285537 0.755417 -0.602375 -0.265366 -1.097558 0.354374 4C 5s 0.060870 -0.121985 0.028723 -0.048568 -0.822990 0.849941 4C 1pz 0.013636 0.080687 0.068722 0.015713 0.046450 0.045883 4C 1px 0.031907 0.009608 0.008478 0.040615 0.007976 0.059500 4C 1py -0.000379 0.065202 0.046580 0.025375 0.034098 0.046240 4C 2pz 0.589368 -0.525150 -0.371916 -0.076145 -0.880737 -0.376625 4C 2px 0.123326 0.004856 0.014618 -0.207078 -0.186637 -0.343595 4C 2py 0.498708 -0.367294 -0.196115 -0.115002 -0.584959 -0.332615 4C 3pz 1.902601 -0.119167 0.262823 -1.212851 -0.995205 -1.045664 4C 3px 0.081664 -0.518752 -0.077408 -0.273650 -0.284364 -0.511820 4C 3py 0.931900 -0.202029 0.083034 -0.902943 -0.931674 -0.841336 4C 1dz2 0.153757 -0.079097 0.002407 0.058954 -0.098462 0.118371 4C 1dxz 0.074208 -0.033153 0.016206 0.039696 -0.078791 0.069041 4C 1dyz 0.054800 0.048069 0.032954 0.080533 -0.134321 0.144769 4C 1dx2y2 0.002168 -0.118269 -0.020810 -0.041933 -0.057918 -0.065025 4C 1dxy 0.043838 0.027094 0.029327 0.035680 0.019757 0.052876 4C 2dz2 -0.818247 -0.019901 -0.073878 0.031018 0.339036 -0.078235 4C 2dxz 0.160870 0.724186 0.547017 0.063704 0.624065 0.287802 4C 2dyz -0.537845 0.100258 -0.016825 -0.068890 0.433370 -0.049619 4C 2dx2y2 0.340157 -0.082136 -0.160993 -0.174683 -0.437216 -0.140640 4C 2dxy 0.295580 0.309797 0.063057 -0.150709 -0.099193 0.080243 4C 1f0 0.009050 0.046218 0.078156 -0.000772 0.087622 -0.019414 4C 1f+1 0.019125 0.011322 0.027713 -0.000183 0.009137 -0.014456 4C 1f-1 -0.087385 -0.065704 -0.066275 -0.070403 0.119153 -0.177290 4C 1f+2 0.031608 -0.010545 -0.007933 0.022466 0.007525 0.036504 4C 1f-2 0.038044 0.032404 0.020224 -0.012334 0.117600 -0.051025 4C 1f+3 -0.036107 0.037872 0.028237 -0.035879 0.001772 -0.044453 4C 1f-3 -0.009480 -0.042083 0.002162 0.048971 -0.034872 0.015823 5C 1s 0.004994 -0.002950 0.001650 0.000490 -0.002245 0.000360 5C 2s 0.018171 -0.012259 0.003536 -0.010777 -0.004988 0.002577 5C 3s -0.272366 0.110228 -0.000397 0.228033 0.040359 -0.071350 5C 4s 0.848133 0.133459 -0.117828 -0.289018 -0.406671 0.333709 5C 5s -0.489055 0.420143 0.080510 0.445696 0.099176 -0.076590 5C 1pz 0.039381 -0.005925 -0.032490 -0.009589 -0.004968 0.022668 5C 1px 0.014053 0.058853 -0.013304 0.004461 -0.002997 0.031171 5C 1py -0.037661 -0.038156 0.045174 0.005662 0.006176 -0.016378 5C 2pz -0.571155 0.129917 0.247718 0.323985 -0.045215 -0.139790 5C 2px -0.301608 -0.049928 0.094062 0.206052 -0.024562 -0.164584 5C 2py 0.839107 -0.035408 -0.404395 -0.524240 0.059805 0.211597 5C 3pz -1.033369 -0.128172 0.176307 0.199520 0.743711 0.038320 5C 3px -0.719835 0.012530 0.277560 0.044949 0.586975 -0.093528 5C 3py 1.934731 -0.231931 0.000973 -0.218821 -1.033949 -0.124916 5C 1dz2 0.104685 -0.062863 -0.050181 -0.073008 0.001907 -0.003795 5C 1dxz 0.071927 0.052906 -0.096878 0.033109 0.023661 0.016925 5C 1dyz 0.019280 0.026173 -0.037769 -0.125550 -0.029093 0.034724 5C 1dx2y2 0.103452 -0.050664 -0.072361 -0.136785 0.007128 0.009028 5C 1dxy 0.070113 0.026584 -0.047325 -0.109748 0.004193 0.038390 5C 2dz2 0.005905 -0.003540 0.088758 0.035797 -0.060114 -0.038960 5C 2dxz 0.258570 0.063499 -0.205337 -0.166197 -0.193938 0.088692 5C 2dyz -0.284584 0.207252 -0.093362 0.349859 -0.008738 -0.013644 5C 2dx2y2 -0.745173 0.269785 0.072518 0.451998 0.066244 -0.092935 5C 2dxy -0.475412 -0.335055 0.646680 0.294661 0.108531 -0.296915 5C 1f0 -0.037316 0.025771 0.044877 0.104966 -0.029671 -0.023197 5C 1f+1 -0.017623 -0.018581 -0.014979 0.034470 -0.052893 -0.040486 5C 1f-1 -0.004151 0.084263 -0.125896 -0.046743 -0.048266 0.030890 5C 1f+2 -0.018774 0.013515 0.039242 0.099082 0.027484 0.008950 5C 1f-2 -0.011548 -0.000123 0.034758 0.047476 0.017545 -0.026773 5C 1f+3 0.004697 -0.013762 0.043166 -0.050242 -0.013724 -0.006654 5C 1f-3 -0.032472 0.000905 0.025408 0.000021 -0.023802 -0.030881 6C 1s 0.004963 -0.003163 -0.001732 0.000408 -0.002393 -0.000215 6C 2s 0.017995 -0.013074 -0.003779 -0.011016 -0.005647 -0.002107 6C 3s -0.267467 0.124198 -0.000812 0.233070 0.053346 0.073271 6C 4s 0.833479 0.096628 0.129554 -0.315977 -0.468419 -0.343059 6C 5s -0.498479 0.407456 -0.057781 0.435798 0.121492 0.047226 6C 1pz -0.040125 0.003376 -0.032261 0.009861 0.008176 0.022911 6C 1px -0.014941 -0.062074 -0.012653 -0.002882 0.009218 0.031252 6C 1py 0.039114 0.042840 0.042963 -0.006301 -0.010011 -0.017646 6C 2pz 0.577222 -0.115068 0.231317 -0.323383 0.025711 -0.144210 6C 2px 0.303992 0.076730 0.090411 -0.222647 -0.013025 -0.175739 6C 2py -0.850315 0.003238 -0.370811 0.528583 -0.024024 0.221468 6C 3pz 1.040391 0.137818 0.099020 -0.191285 -0.704665 0.130677 6C 3px 0.735797 0.021477 0.241704 -0.050556 -0.594043 -0.041351 6C 3py -1.948787 0.208933 0.108848 0.214135 0.960772 -0.241324 6C 1dz2 0.105697 -0.061093 0.052642 -0.071652 0.002752 0.003861 6C 1dxz 0.073252 0.056090 0.098528 0.032441 0.017364 -0.021133 6C 1dyz 0.020048 0.027019 0.032159 -0.125879 -0.031489 -0.028616 6C 1dx2y2 0.103371 -0.050697 0.073797 -0.135847 0.002668 -0.007654 6C 1dxy 0.070903 0.025643 0.044668 -0.110044 -0.001780 -0.035428 6C 2dz2 0.005036 -0.004790 -0.099020 0.034202 -0.055033 0.049470 6C 2dxz 0.269296 0.083654 0.185529 -0.166023 -0.203236 -0.066676 6C 2dyz -0.277836 0.217645 0.101618 0.353863 -0.009273 0.013726 6C 2dx2y2 -0.747802 0.258370 -0.047040 0.457395 0.079018 0.079438 6C 2dxy -0.491348 -0.363254 -0.627643 0.296391 0.158657 0.282281 6C 1f0 0.038460 -0.024742 0.044106 -0.105042 0.027640 -0.024210 6C 1f+1 0.017362 0.019366 -0.014890 -0.036088 0.048722 -0.046619 6C 1f-1 0.001423 -0.088418 -0.124344 0.046151 0.054627 0.024316 6C 1f+2 0.017922 -0.015577 0.036115 -0.096882 -0.026307 0.016741 6C 1f-2 0.012952 0.002014 0.034540 -0.048324 -0.021653 -0.023719 6C 1f+3 -0.004054 0.014014 0.044208 0.050617 0.012123 -0.009415 6C 1f-3 0.033741 -0.000572 0.024218 -0.000806 0.018214 -0.033348 7C 1s -0.005628 0.001022 0.001743 0.002237 -0.002058 -0.000685 7C 2s -0.025248 0.000853 0.010287 -0.001532 0.001122 0.008386 7C 3s 0.431914 -0.071580 -0.257842 0.135827 0.078950 -0.116737 7C 4s -1.216528 0.774556 0.614619 -0.242812 -1.042816 -0.238444 7C 5s 0.059111 -0.101073 -0.060619 -0.066316 -0.855071 -0.742736 7C 1pz -0.016847 -0.081767 0.066798 -0.013617 -0.043398 0.052004 7C 1px -0.033733 -0.011212 0.009973 -0.039354 -0.000922 0.061387 7C 1py -0.002018 -0.066501 0.047338 -0.024084 -0.029254 0.051563 7C 2pz -0.556172 0.528293 -0.326194 0.066541 0.856781 -0.476790 7C 2px -0.100105 0.005403 0.020640 0.201692 0.146966 -0.373667 7C 2py -0.473288 0.375777 -0.172767 0.109374 0.559095 -0.406383 7C 3pz -1.915980 0.124780 0.345773 1.204479 0.895963 -1.166628 7C 3px -0.070724 0.527233 -0.074551 0.259404 0.218427 -0.550709 7C 3py -0.945464 0.202458 0.144579 0.889196 0.831636 -0.959519 7C 1dz2 0.152087 -0.078513 -0.004012 0.055914 -0.104053 -0.107377 7C 1dxz 0.074926 -0.032990 -0.016785 0.038329 -0.082474 -0.061147 7C 1dyz 0.054756 0.049148 -0.044054 0.078708 -0.142269 -0.133474 7C 1dx2y2 0.003286 -0.118358 0.027368 -0.040523 -0.045751 0.072730 7C 1dxy 0.041286 0.024005 -0.032040 0.034398 0.012704 -0.055952 7C 2dz2 -0.799323 -0.012007 0.106261 0.037726 0.352596 0.039352 7C 2dxz 0.163852 0.714532 -0.545267 0.044869 0.570885 -0.353786 7C 2dyz -0.523477 0.104197 0.048439 -0.066098 0.443869 0.002909 7C 2dx2y2 0.330661 -0.090626 0.131686 -0.166481 -0.428314 0.192758 7C 2dxy 0.297950 0.304308 -0.075272 -0.156706 -0.115456 -0.063552 7C 1f0 -0.005842 -0.042671 0.077606 -0.000003 -0.083662 -0.008239 7C 1f+1 -0.020479 -0.012492 0.028361 0.000117 -0.010983 -0.012394 7C 1f-1 0.085596 0.065348 -0.073954 0.067013 -0.130655 -0.165619 7C 1f+2 -0.032735 0.009505 -0.007012 -0.022925 -0.002664 0.040104 7C 1f-2 -0.038897 -0.032019 0.018244 0.013593 -0.116214 -0.039117 7C 1f+3 0.036945 -0.037206 0.028273 0.034227 -0.007730 -0.045376 7C 1f-3 0.009638 0.040723 0.001529 -0.047463 0.032954 0.012501 8C 1s -0.000361 0.001262 0.004098 -0.008436 -0.001310 -0.001742 8C 2s 0.000165 0.002987 0.013257 -0.029025 -0.004504 -0.005109 8C 3s 0.324958 -0.095530 0.091693 -0.380309 0.023960 -0.088072 8C 4s -2.077085 0.369767 -0.948615 2.835519 0.206555 0.668976 8C 5s -1.258733 -0.079655 0.277831 -0.933768 0.803767 -0.552645 8C 1pz -0.087256 -0.028963 -0.077242 0.081203 -0.002830 0.026150 8C 1px -0.013788 0.047277 0.033625 0.040397 -0.022378 -0.006880 8C 1py 0.073466 -0.054309 0.000287 -0.087671 0.024004 -0.006856 8C 2pz 0.031689 0.182945 -0.086166 0.158834 -0.045012 -0.165834 8C 2px 0.430095 -0.808752 -0.617309 -0.152221 0.159686 0.199078 8C 2py -1.111261 -0.121614 -0.532716 0.278955 0.072809 0.229586 8C 3pz 0.353041 -0.140154 -0.012961 0.026947 -0.076045 0.037249 8C 3px 0.095696 -0.023575 -0.211593 0.073293 -0.063766 0.092078 8C 3py -0.382052 -0.116065 -0.082041 -0.086591 0.264082 -0.025876 8C 1dz2 -0.051942 -0.036805 -0.077625 0.001878 0.005273 0.026878 8C 1dxz -0.009232 0.075772 0.028545 0.076341 -0.005167 -0.006839 8C 1dyz 0.009914 0.017340 0.048071 -0.169336 -0.018679 -0.034960 8C 1dx2y2 0.042287 -0.047896 0.019072 -0.143015 -0.016482 -0.001965 8C 1dxy 0.074541 -0.006034 0.074359 -0.125504 0.018142 -0.021968 8C 2dz2 0.040300 -0.066162 -0.015506 -0.009086 0.008840 0.035623 8C 2dxz -0.097769 -0.252218 -0.156113 -0.050627 0.075789 0.064973 8C 2dyz 0.382014 -0.102674 0.112186 0.066834 0.064697 -0.000112 8C 2dx2y2 0.030675 0.198115 0.085416 0.182147 -0.075740 -0.109325 8C 2dxy -0.027789 -0.096717 -0.277182 0.128496 0.012180 0.032184 8C 1f0 0.062254 0.024491 0.053507 -0.013547 -0.003971 -0.008693 8C 1f+1 0.070214 -0.002958 0.052044 -0.039375 -0.011827 -0.017843 8C 1f-1 -0.118116 -0.035613 -0.109387 0.052269 0.011948 0.026963 8C 1f+2 -0.051112 0.027303 -0.003388 0.141143 -0.003556 0.016983 8C 1f-2 -0.073775 0.008513 -0.089869 0.105654 0.013199 0.020956 8C 1f+3 0.032546 0.059428 0.078689 -0.028625 -0.010888 -0.031178 8C 1f-3 0.005043 0.020892 0.070655 0.000834 0.023027 -0.023065 9C 1s 0.001541 0.002255 -0.000613 -0.005872 0.008020 0.008912 9C 2s 0.001763 0.004482 -0.000852 -0.019269 0.027543 0.030739 9C 3s -0.375209 0.073269 0.144174 -0.139036 0.326250 0.117671 9C 4s 2.157830 -0.717043 -0.540502 1.041574 -2.651241 -1.264007 9C 5s 1.521706 0.234903 -0.037015 -1.770364 0.275991 2.906972 9C 1pz 0.119257 -0.009081 -0.052048 0.031762 -0.076237 0.018120 9C 1px 0.063017 0.070911 -0.082025 0.016837 0.038082 -0.050950 9C 1py 0.073610 -0.015076 -0.003940 0.020817 -0.095992 0.002661 9C 2pz -0.520607 0.928928 -0.425806 0.317022 0.437019 -1.100564 9C 2px -1.265688 -0.560755 0.388061 0.102376 0.258122 0.175701 9C 2py -0.558003 -0.156547 0.238103 0.176156 -0.193126 -0.557730 9C 3pz -0.317286 0.104106 -0.009093 0.365590 0.148949 -0.612224 9C 3px -0.055651 -0.089994 0.086963 0.087641 -0.074769 -0.000051 9C 3py -0.383000 0.007225 0.048109 0.215802 -0.054861 -0.330250 9C 1dz2 0.053069 0.064391 -0.075583 0.084546 -0.058623 -0.160340 9C 1dxz 0.105389 0.031580 -0.034114 0.034130 -0.067888 -0.088937 9C 1dyz 0.061957 -0.016257 -0.030315 0.122378 -0.197022 -0.220676 9C 1dx2y2 -0.084125 -0.047304 0.039142 -0.049095 0.059376 0.114801 9C 1dxy 0.018328 0.105210 -0.060205 0.022326 0.028934 -0.047534 9C 2dz2 -0.033188 -0.268592 0.156132 -0.157748 0.005379 0.468250 9C 2dxz -0.133914 0.055277 -0.063287 -0.076024 0.185715 0.115689 9C 2dyz 0.312917 -0.034035 0.053844 -0.202170 0.128158 0.467703 9C 2dx2y2 0.285997 0.472985 -0.298575 0.106625 0.067705 -0.388407 9C 2dxy 0.169512 -0.108397 -0.042500 -0.022538 -0.022789 -0.012311 9C 1f0 -0.022133 -0.116368 0.087117 -0.024596 -0.059761 0.046392 9C 1f+1 0.023719 0.008491 -0.031594 0.013961 0.001630 -0.017386 9C 1f-1 -0.039884 -0.001601 0.026529 -0.055878 0.074236 0.083165 9C 1f+2 0.111408 -0.057071 0.013993 0.039783 -0.158726 -0.081705 9C 1f-2 -0.013291 -0.033486 0.031887 -0.047708 -0.009445 0.053763 9C 1f+3 0.047148 -0.010245 -0.007608 0.026394 -0.091752 -0.046710 9C 1f-3 -0.027830 0.069452 -0.054971 0.014132 0.050105 -0.018550 10H 1s 0.012627 -0.087598 -0.070710 -0.040011 -0.109935 -0.065122 10H 2s -1.188148 -0.498035 -0.346607 -0.387848 0.816345 -0.969942 10H 3s 0.210469 -0.066408 0.007965 0.183214 -0.372276 0.393710 10H 1pz -0.333832 -0.147701 -0.093731 -0.068892 0.178718 -0.214336 10H 1px 0.291924 0.069674 0.071686 0.188102 -0.369464 0.360477 10H 1py -0.193308 -0.136789 -0.151752 -0.015892 -0.047251 -0.076330 11H 1s 0.044533 0.080300 0.103519 0.024922 0.106966 0.006951 11H 2s 0.158748 -0.392110 -0.469684 -0.487672 -0.054299 -0.642141 11H 3s -0.144912 -0.019784 0.145315 0.181100 -0.030120 0.366492 11H 1pz 0.095546 -0.104435 -0.077064 -0.102011 -0.061669 -0.086785 11H 1px 0.012043 -0.057517 -0.131170 -0.141643 0.069147 -0.191326 11H 1py 0.019083 0.051514 0.120207 0.158887 -0.075585 0.296750 12H 1s 0.017880 0.021805 -0.022585 -0.004377 -0.033351 0.000042 12H 2s 0.089501 0.640166 0.261807 -0.408678 0.917620 -0.623051 12H 3s -0.018233 -0.147487 -0.005137 0.187056 -0.160198 0.397600 12H 1pz 0.004818 0.097270 0.069770 0.117971 -0.056956 0.244106 12H 1px -0.001797 0.172362 0.106271 -0.062894 0.286824 -0.102466 12H 1py 0.031444 0.248835 0.075177 -0.169457 0.316140 -0.240877 13H 1s -0.079533 -0.042061 0.076314 0.028648 0.036192 -0.022908 13H 2s 0.599496 -0.625617 -0.049409 -0.912566 0.061589 -0.051127 13H 3s -0.250319 0.125553 0.181208 0.347189 -0.034597 -0.096994 13H 1pz 0.123443 -0.234739 0.088087 -0.241980 0.027099 -0.048978 13H 1px -0.175180 0.051821 0.166728 0.334278 0.000714 -0.058415 13H 1py -0.124803 0.133890 -0.046387 0.128310 -0.024398 0.015432 14H 1s -0.038948 -0.023468 0.052357 0.024972 -0.006114 -0.020803 14H 2s 0.420916 0.391780 -0.864097 -0.832694 -0.046225 0.277681 14H 3s -0.113593 -0.007235 0.103300 0.262451 0.002983 -0.094046 14H 1pz 0.047477 0.058910 -0.165169 -0.130189 0.018345 0.047244 14H 1px 0.186483 0.135451 -0.331003 -0.359791 -0.024495 0.115088 14H 1py -0.062596 -0.032088 0.081726 -0.102822 -0.010637 -0.012400 15H 1s 0.069278 0.083526 -0.098201 -0.030452 -0.034158 0.041981 15H 2s -0.512157 -0.066470 0.317564 -0.351539 0.003638 0.089302 15H 3s 0.160335 -0.051582 -0.046091 0.126742 0.017892 -0.087618 15H 1pz 0.082154 0.042281 -0.036015 0.217477 0.018745 -0.033970 15H 1px -0.027193 -0.019657 0.067087 -0.014484 -0.011542 -0.000162 15H 1py 0.161231 -0.012456 -0.086202 0.069999 -0.019648 -0.032047 16H 1s 0.026996 -0.042121 0.001703 -0.006988 0.038102 0.013482 16H 2s -0.135208 0.351282 -0.330992 0.438949 0.188390 0.449330 16H 3s 0.013300 -0.019833 -0.095063 0.028528 0.090174 0.080706 16H 1pz -0.045412 0.136599 -0.189164 0.263791 0.150913 0.261512 16H 1px 0.003210 0.015727 0.069741 -0.069120 -0.082625 -0.050564 16H 1py -0.040362 0.086648 -0.048927 0.030558 0.016938 0.057706 17H 1s 0.004931 -0.048708 -0.012262 0.000364 0.047247 -0.008844 17H 2s 0.041751 0.417035 -0.019889 0.214795 -0.057973 0.406357 17H 3s -0.024354 -0.000809 0.010646 0.017361 0.068135 0.051541 17H 1pz -0.012155 -0.123583 -0.003939 -0.085595 0.002836 -0.119778 17H 1px -0.040794 -0.098405 0.035693 -0.127581 -0.052958 -0.188412 17H 1py 0.001772 0.116485 0.005508 -0.001633 -0.045172 0.062516 18H 1s 0.006386 -0.049338 0.013687 -0.000404 0.046297 0.004078 18H 2s -0.004371 0.388810 -0.003349 0.206651 -0.139564 -0.387615 18H 3s -0.032587 -0.011310 -0.011152 0.014061 0.052557 -0.056014 18H 1pz -0.002912 0.118415 -0.012477 0.083340 -0.028049 -0.117818 18H 1px 0.020522 0.083947 0.026433 0.122214 0.010558 -0.188943 18H 1py 0.011731 -0.103994 0.009350 0.006269 0.059498 0.048557 19H 1s 0.027418 -0.041022 -0.001504 -0.008381 0.035364 -0.016912 19H 2s -0.139428 0.317283 0.344896 0.441514 0.120070 -0.479739 19H 3s 0.010451 -0.026962 0.096600 0.030145 0.076015 -0.089861 19H 1pz 0.045898 -0.116678 -0.194143 -0.263071 -0.108872 0.281410 19H 1px -0.005128 -0.021795 0.073437 0.070519 0.069782 -0.061683 19H 1py 0.040556 -0.081070 -0.060180 -0.036672 -0.012531 0.067112 20H 1s 0.072878 0.090257 0.093801 -0.031399 -0.040736 -0.037651 20H 2s -0.526446 -0.087563 -0.313530 -0.351194 0.001719 -0.075926 20H 3s 0.162382 -0.045858 0.041143 0.129721 0.032329 0.084535 20H 1pz -0.085799 -0.048476 -0.033523 -0.216958 -0.022187 -0.025534 20H 1px 0.027179 0.017217 0.067891 0.017772 0.009064 0.000112 20H 1py -0.165054 0.007445 -0.085842 -0.069867 0.017434 -0.031179 21H 1s -0.038126 -0.023786 -0.050441 0.025363 -0.002923 0.020653 21H 2s 0.433031 0.418725 0.862633 -0.835072 -0.100500 -0.259406 21H 3s -0.114432 -0.012442 -0.105673 0.263348 0.019501 0.091472 21H 1pz -0.048513 -0.060707 -0.169674 0.132111 -0.006281 0.047755 21H 1px -0.192995 -0.148569 -0.328144 0.359902 0.045922 0.106420 21H 1py 0.064851 0.036667 0.080996 0.103021 0.006461 -0.017449 22H 1s -0.083746 -0.048970 -0.072129 0.029150 0.038957 0.019635 22H 2s 0.603226 -0.637337 0.030254 -0.904280 0.079620 0.071161 22H 3s -0.255564 0.120971 -0.177108 0.347491 -0.015694 0.093635 22H 1pz -0.120443 0.241273 0.090870 0.237656 -0.037653 -0.052749 22H 1px 0.180643 -0.047648 0.159608 -0.333706 -0.008605 -0.048710 22H 1py 0.123865 -0.139678 -0.049987 -0.129380 0.029462 0.016289 23H 1s 0.017755 0.024192 0.020506 -0.004156 -0.032442 0.002979 23H 2s 0.087852 0.622133 -0.255992 -0.404982 0.921669 0.533276 23H 3s -0.029826 -0.149391 0.002919 0.179789 -0.186142 -0.381212 23H 1pz -0.003055 -0.094822 0.075942 -0.114214 0.077997 0.241589 23H 1px -0.000259 -0.169923 0.101742 0.060915 -0.279793 -0.068106 23H 1py -0.030609 -0.243288 0.075209 0.167922 -0.320981 -0.210784 24H 1s 0.044678 0.079673 -0.102079 0.022262 0.101689 -0.018475 24H 2s 0.174649 -0.389531 0.487829 -0.478040 -0.010369 0.659274 24H 3s -0.151851 -0.021453 -0.146892 0.174670 -0.057455 -0.364010 24H 1pz -0.100098 0.104929 -0.080541 0.099977 0.054961 -0.095113 24H 1px -0.019787 0.054242 -0.139717 0.142329 -0.081895 -0.190458 24H 1py -0.019194 -0.052940 0.123114 -0.151809 0.092117 0.289271 25H 1s 0.010712 -0.089547 0.068945 -0.036675 -0.101210 0.077496 25H 2s -1.185682 -0.496997 0.410394 -0.365437 0.886123 0.893022 25H 3s 0.205162 -0.061820 -0.024250 0.177620 -0.390544 -0.356581 25H 1pz 0.333917 0.147094 -0.110988 0.063510 -0.201920 -0.199136 25H 1px -0.290420 -0.070619 0.092586 -0.182207 0.384725 0.324619 25H 1py 0.187421 0.131419 -0.155743 0.009567 0.036449 -0.077361 26O 1s 0.000455 -0.002038 -0.002677 0.003594 -0.008803 -0.002425 26O 2s -0.001621 -0.009587 -0.010561 0.011747 -0.030045 -0.010762 26O 3s 0.073514 0.110095 0.086396 -0.070546 0.191513 0.118094 26O 4s -0.490424 -0.466997 -0.299929 -0.017998 -0.348844 -0.464644 26O 5s -0.521812 0.679896 0.815374 1.342133 2.051905 1.255964 26O 1pz -0.112915 0.056458 -0.012043 -0.047623 -0.099416 0.005843 26O 1px -0.028690 0.176248 0.099792 -0.064418 0.120510 -0.022191 26O 1py 0.111755 -0.350164 -0.179817 0.036330 -0.090083 -0.008833 26O 2pz 0.144727 -0.164711 -0.052155 0.030266 -0.001138 -0.061722 26O 2px 0.246952 -0.166160 -0.162379 -0.024398 -0.305919 0.029854 26O 2py -0.090855 0.474146 0.196082 -0.103924 0.041959 -0.021204 26O 3pz -0.231188 0.031746 0.172715 0.355804 0.086239 0.208917 26O 3px 0.119986 0.325418 0.130917 -0.196727 -0.568507 -0.238254 26O 3py 0.041935 -0.100334 0.077608 0.213660 -0.165221 0.043917 26O 1dz2 0.004954 0.003045 0.002593 0.005019 0.006956 0.008402 26O 1dxz -0.001187 0.005793 0.004259 -0.000002 0.000487 0.003710 26O 1dyz 0.002982 0.007470 0.009684 0.004787 0.000734 0.013733 26O 1dx2y2 0.000926 0.001522 0.002468 -0.003475 0.004549 -0.005298 26O 1dxy 0.002617 -0.000447 0.001741 0.000614 -0.001645 0.003364 26O 2dz2 0.108243 0.063749 0.102745 0.095975 0.025773 0.111404 26O 2dxz 0.000287 0.144396 0.121061 0.068542 0.151718 0.095760 26O 2dyz 0.071061 0.185712 0.221128 0.144436 0.080827 0.217543 26O 2dx2y2 -0.015205 -0.140805 -0.056802 -0.027620 0.031644 -0.072372 26O 2dxy 0.004528 0.067426 0.069527 0.052069 0.084213 0.091877 26O 1f0 -0.004727 0.003031 0.003031 -0.003759 0.010788 -0.008765 26O 1f+1 0.006642 0.003628 0.007976 0.009590 -0.005263 0.009429 26O 1f-1 -0.007189 -0.009999 -0.006029 -0.002322 -0.008900 -0.011169 26O 1f+2 -0.000720 0.001634 0.001620 0.003352 0.000883 0.006828 26O 1f-2 0.009963 0.000656 -0.000312 0.004960 -0.013992 0.009828 26O 1f+3 0.000768 0.003130 -0.002757 0.009245 0.008326 0.007310 26O 1f-3 -0.002262 -0.002419 0.005209 0.000003 0.001979 -0.001998 27O 1s -0.003265 0.001315 0.004399 0.005813 -0.004833 -0.004704 27O 2s -0.010632 0.001912 0.016933 0.018831 -0.016142 -0.016275 27O 3s 0.056093 0.032711 -0.150953 -0.099733 0.102024 0.114914 27O 4s -0.058943 -0.307264 0.540675 -0.013815 -0.069151 -0.239708 27O 5s 1.489780 0.127545 -0.954059 -0.291919 -0.621309 0.364960 27O 1pz -0.277058 -0.037143 0.228127 0.058314 -0.137934 -0.128673 27O 1px -0.021765 0.022785 -0.023018 -0.063504 -0.003462 0.018332 27O 1py -0.090846 0.071905 0.067658 -0.018039 -0.176958 -0.064490 27O 2pz 0.383229 0.013643 -0.281782 -0.072070 0.216806 0.165492 27O 2px -0.118886 0.035332 -0.037525 0.144270 0.046357 -0.018267 27O 2py 0.234898 -0.024374 -0.169412 -0.032463 0.219664 0.133187 27O 3pz -0.005302 0.063205 -0.123976 0.069339 -0.238285 -0.054715 27O 3px -0.147039 0.342663 -0.117563 0.196497 -0.225774 0.057038 27O 3py -0.297520 -0.163826 0.223782 -0.187281 0.053926 -0.075945 27O 1dz2 0.001353 -0.003980 0.003404 0.001357 0.000931 -0.000455 27O 1dxz -0.000806 0.000342 0.001902 0.004362 -0.002789 -0.001451 27O 1dyz -0.001701 -0.002254 0.004586 -0.003960 0.001495 0.000822 27O 1dx2y2 -0.004226 -0.008678 0.002018 -0.002677 -0.000049 -0.003438 27O 1dxy -0.005628 -0.002649 0.005256 -0.001878 -0.000560 -0.002452 27O 2dz2 -0.009123 -0.032138 0.045580 -0.004851 0.025729 -0.002985 27O 2dxz 0.070809 0.044515 -0.089573 0.025583 -0.061158 0.034734 27O 2dyz -0.043164 -0.053017 0.129348 -0.099557 0.048365 -0.006917 27O 2dx2y2 -0.039666 -0.144560 0.107990 -0.067841 0.069871 -0.039203 27O 2dxy -0.171133 -0.075510 0.179454 0.018661 0.082554 -0.072920 27O 1f0 -0.003109 0.002058 -0.000675 -0.001191 -0.003353 0.001412 27O 1f+1 0.002349 0.001841 0.004001 -0.002996 0.000621 0.003011 27O 1f-1 -0.002203 0.001913 -0.005502 0.003663 -0.002292 -0.001586 27O 1f+2 0.005255 0.007724 -0.007419 0.003791 -0.003524 -0.001294 27O 1f-2 0.004425 -0.002997 -0.002847 -0.008562 -0.000924 0.001791 27O 1f+3 -0.006248 -0.003788 0.004507 0.012149 -0.001789 -0.004884 27O 1f-3 -0.006633 -0.000590 0.010936 0.013291 0.006159 -0.000109 28O 1s -0.002662 -0.001800 -0.006069 0.003647 -0.007969 0.004906 28O 2s -0.004160 -0.000726 -0.017990 0.012390 -0.024695 0.017141 28O 3s -0.046354 -0.084346 0.051835 -0.073564 0.108721 -0.120691 28O 4s 0.494283 0.629537 0.370834 -0.035815 0.080655 0.302598 28O 5s -1.402991 -0.157157 0.079307 0.974072 1.555295 -0.073607 28O 1pz -0.111907 -0.014112 -0.056667 -0.105474 -0.134058 -0.081735 28O 1px 0.028358 0.098972 -0.008617 0.005451 -0.094440 0.088296 28O 1py 0.237453 0.007149 0.103766 0.069510 0.204046 0.037148 28O 2pz 0.178985 -0.137982 -0.123479 0.092323 -0.008482 0.041682 28O 2px 0.108761 0.096121 0.234314 0.034923 0.318222 -0.038345 28O 2py -0.279299 0.005367 -0.169853 -0.116991 -0.350519 -0.073382 28O 3pz 0.018063 0.385712 -0.064819 0.235177 -0.347394 0.024145 28O 3px -0.109815 0.040679 0.036358 0.139846 0.507647 0.118462 28O 3py 0.194272 0.160970 -0.045582 0.318696 0.232003 0.155955 28O 1dz2 -0.006862 -0.007960 0.001960 0.001268 -0.003880 0.002938 28O 1dxz 0.006168 0.004174 0.006487 0.002895 0.000904 0.006069 28O 1dyz -0.007878 -0.002877 0.004866 0.005036 0.003768 0.009966 28O 1dx2y2 0.001948 -0.007399 -0.004475 -0.002887 -0.001361 -0.005666 28O 1dxy -0.000752 0.001505 -0.000472 -0.000890 -0.000177 0.002619 28O 2dz2 -0.201451 -0.111283 -0.072170 0.106456 0.013366 0.005281 28O 2dxz 0.059426 -0.020406 -0.026734 0.007995 -0.114078 0.019006 28O 2dyz -0.174309 -0.057106 -0.041074 0.141261 0.046802 0.049746 28O 2dx2y2 0.155150 -0.022381 0.012938 -0.035904 -0.019503 0.010018 28O 2dxy 0.104090 0.056011 0.008761 0.003911 -0.026264 0.050239 28O 1f0 0.006416 -0.005974 -0.007916 0.005960 -0.008990 0.010409 28O 1f+1 -0.005774 0.002220 0.001010 -0.003670 0.010046 -0.011611 28O 1f-1 0.010676 0.005046 -0.002791 0.001039 -0.004219 -0.001581 28O 1f+2 -0.008185 -0.011706 -0.007940 -0.001248 -0.005051 -0.001307 28O 1f-2 -0.000338 0.001722 -0.002507 -0.005888 0.011666 -0.011813 28O 1f+3 -0.004785 -0.007661 -0.011671 -0.001898 -0.006052 -0.006286 28O 1f-3 0.003000 -0.000374 0.003060 -0.001544 -0.001239 0.001099 29O 1s 0.008183 -0.000632 -0.006604 0.022424 0.007725 0.012101 29O 2s 0.028200 -0.005944 -0.020626 0.072788 0.025646 0.037008 29O 3s -0.189163 0.128821 0.088290 -0.383167 -0.148440 -0.138600 29O 4s 0.281054 -0.423496 -0.040787 0.322406 0.259337 0.021733 29O 5s -0.083520 -0.073818 0.338158 -0.544557 -0.656953 -0.784099 29O 1pz 0.011480 -0.030984 -0.123923 0.054096 0.095041 0.093480 29O 1px -0.013470 0.095222 0.115352 -0.149247 -0.267875 -0.214732 29O 1py -0.134518 0.212639 0.083062 -0.228431 -0.185120 -0.092296 29O 2pz -0.079905 0.081682 0.046664 0.059240 -0.027535 -0.036817 29O 2px 0.001792 -0.258269 -0.150541 0.140442 0.390798 0.186248 29O 2py 0.194761 -0.165936 -0.194961 0.494722 0.332262 0.336383 29O 3pz -0.038727 -0.006247 -0.222917 0.122031 0.077401 0.087390 29O 3px 0.018491 -0.080746 0.034933 -0.129264 -0.023467 -0.118045 29O 3py -0.127447 0.306001 -0.056051 -0.042830 -0.067762 0.160207 29O 1dz2 -0.002243 0.003113 -0.002873 0.005635 0.003005 0.004107 29O 1dxz 0.002078 0.003536 0.001189 0.003310 0.000605 0.005792 29O 1dyz -0.002949 0.001219 -0.001162 0.003190 0.003350 0.001753 29O 1dx2y2 -0.003103 -0.000002 0.003276 -0.005662 -0.003228 -0.004199 29O 1dxy -0.000567 -0.004135 0.002874 -0.001351 0.001787 -0.001979 29O 2dz2 0.015393 -0.056006 0.069995 -0.046741 -0.045365 -0.083433 29O 2dxz 0.006420 -0.026300 0.031264 -0.016450 -0.009827 -0.021147 29O 2dyz 0.013076 0.013282 0.075626 -0.058905 -0.042664 -0.028264 29O 2dx2y2 -0.011494 -0.007806 -0.019061 0.044681 0.029537 0.025269 29O 2dxy 0.008970 0.054198 0.029193 0.043587 0.005614 0.064401 29O 1f0 -0.001416 0.010541 -0.008128 0.011200 0.002957 0.012671 29O 1f+1 -0.000216 -0.003506 0.003230 -0.005055 -0.003024 -0.007259 29O 1f-1 -0.004581 0.015779 -0.010300 0.013088 0.000330 0.012522 29O 1f+2 0.002971 -0.002001 0.003457 -0.002717 -0.003719 -0.003003 29O 1f-2 0.000141 0.013421 0.004217 0.004952 -0.004947 0.008536 29O 1f+3 0.002909 -0.002732 -0.002713 0.005607 0.002316 0.001710 29O 1f-3 -0.000755 -0.002836 -0.002568 -0.002382 -0.001503 -0.006271 30O 1s -0.002779 -0.002939 0.000821 0.005231 -0.004268 0.002478 30O 2s -0.009058 -0.005966 -0.000415 0.017363 -0.015566 0.009931 30O 3s 0.047684 -0.021174 0.072084 -0.093166 0.123445 -0.096922 30O 4s -0.066065 0.377313 -0.587499 -0.025814 -0.264176 0.352755 30O 5s 1.627671 -0.617823 0.314830 -0.197981 -0.290915 -0.294001 30O 1pz -0.118392 0.195367 -0.198963 -0.053078 -0.125851 -0.004879 30O 1px -0.054287 0.115274 -0.064339 0.055708 -0.053753 0.010923 30O 1py -0.033043 0.149574 -0.233370 -0.010526 -0.133496 0.052417 30O 2pz 0.056024 -0.327280 0.400605 0.109918 0.222148 -0.050084 30O 2px 0.144638 -0.039319 -0.095345 -0.099984 0.000129 0.052444 30O 2py 0.172374 -0.218743 0.194075 -0.044250 0.108407 -0.037678 30O 3pz -0.045206 0.305090 -0.072185 0.154920 -0.375021 0.051142 30O 3px 0.310455 -0.093761 0.012648 0.016917 0.001626 -0.094775 30O 3py -0.122132 -0.031663 -0.345895 -0.277280 0.284897 -0.020647 30O 1dz2 0.003625 0.004228 -0.008514 -0.000842 -0.001922 0.002098 30O 1dxz 0.005255 -0.000393 -0.004636 0.002265 0.001826 0.001758 30O 1dyz -0.005909 0.005462 -0.002112 0.001002 -0.001034 0.000913 30O 1dx2y2 0.001215 0.004063 -0.001228 -0.000382 0.003467 0.001809 30O 1dxy -0.001161 -0.001164 0.007736 -0.003712 0.001788 0.000253 30O 2dz2 0.096229 0.008773 -0.059704 -0.045004 0.039989 0.034319 30O 2dxz 0.050746 0.005005 -0.022412 0.017410 -0.014168 0.013478 30O 2dyz -0.182108 0.083812 -0.111242 -0.028401 0.012004 0.024788 30O 2dx2y2 -0.093003 0.121710 -0.132021 -0.003023 0.076895 0.049441 30O 2dxy 0.039669 -0.010159 -0.077366 -0.090263 0.021354 0.018930 30O 1f0 0.005691 -0.000109 -0.008406 -0.004733 -0.001939 0.004282 30O 1f+1 -0.000872 0.005709 0.002773 0.002766 0.003794 0.005022 30O 1f-1 0.001306 -0.000040 0.004819 -0.003639 -0.000441 -0.001053 30O 1f+2 0.002057 -0.010128 0.004405 -0.010078 -0.004930 -0.004067 30O 1f-2 -0.004032 -0.004840 0.007552 0.008230 0.003279 -0.004503 30O 1f+3 0.002382 0.001863 -0.005938 -0.011869 -0.002953 0.002510 30O 1f-3 0.004779 0.001224 -0.005658 -0.010479 0.004613 0.005054 31O 1s -0.002934 -0.003301 -0.000681 0.005073 -0.004639 -0.002226 31O 2s -0.009514 -0.007025 0.000855 0.016818 -0.017122 -0.008989 31O 3s 0.048899 -0.017782 -0.073991 -0.089487 0.139826 0.088239 31O 4s -0.055624 0.396824 0.589990 -0.032322 -0.329155 -0.330679 31O 5s 1.637661 -0.610557 -0.420203 -0.177649 -0.203928 0.358351 31O 1pz 0.113949 -0.197887 -0.192728 0.050576 0.129072 -0.024807 31O 1px 0.050664 -0.120868 -0.064566 -0.054782 0.055182 0.007679 31O 1py 0.031179 -0.150341 -0.226084 0.009686 0.146802 0.033462 31O 2pz -0.045681 0.338610 0.384418 -0.106738 -0.235932 -0.015513 31O 2px -0.145978 0.036143 -0.089436 0.098134 0.009847 0.048003 31O 2py -0.175868 0.209529 0.191566 0.044958 -0.122694 -0.021093 31O 3pz 0.045001 -0.306195 -0.066874 -0.148061 0.389697 0.019003 31O 3px -0.317257 0.085087 0.039521 -0.027894 -0.030757 -0.103345 31O 3py 0.125003 0.038477 -0.344371 0.260177 -0.285699 -0.013212 31O 1dz2 0.003591 0.004262 0.008602 -0.000825 -0.002522 -0.001871 31O 1dxz 0.005315 0.000019 0.004722 0.002161 0.001521 -0.002195 31O 1dyz -0.006016 0.005377 0.002202 0.001115 -0.001103 -0.000913 31O 1dx2y2 0.001117 0.003778 0.001307 -0.000326 0.003017 -0.002031 31O 1dxy -0.001408 -0.001709 -0.007586 -0.003685 0.001758 -0.000299 31O 2dz2 0.095083 0.007728 0.059999 -0.045935 0.033067 -0.038574 31O 2dxz 0.050372 0.005730 0.023355 0.015862 -0.017053 -0.014164 31O 2dyz -0.181317 0.087154 0.119231 -0.027402 0.006580 -0.027844 31O 2dx2y2 -0.090303 0.127155 0.138908 -0.002371 0.065720 -0.058381 31O 2dxy 0.040990 -0.009173 0.075971 -0.087829 0.018618 -0.017585 31O 1f0 -0.006161 -0.000598 -0.008053 0.004832 0.002537 0.003945 31O 1f+1 0.000824 -0.005694 0.002903 -0.002440 -0.003016 0.005504 31O 1f-1 -0.001023 0.000314 0.005115 0.003624 0.000326 -0.001263 31O 1f+2 -0.001965 0.010269 0.004447 0.009993 0.004341 -0.004833 31O 1f-2 0.004135 0.004955 0.007282 -0.008266 -0.004089 -0.003976 31O 1f+3 -0.002318 -0.001755 -0.005901 0.011798 0.003525 0.001944 31O 1f-3 -0.004914 -0.001386 -0.005557 0.010653 -0.003918 0.005500 32O 1s 0.007807 -0.001277 0.006207 0.022068 0.005087 -0.013146 32O 2s 0.027211 -0.007730 0.019300 0.071589 0.017410 -0.040503 32O 3s -0.189706 0.131028 -0.080557 -0.375982 -0.113322 0.159559 32O 4s 0.298294 -0.404296 0.032935 0.311111 0.240366 -0.055206 32O 5s -0.060040 -0.043248 -0.333323 -0.524315 -0.504244 0.847333 32O 1pz -0.018249 0.038812 -0.128388 -0.059283 -0.083782 0.106816 32O 1px 0.000482 -0.108966 0.112791 0.142280 0.216690 -0.239298 32O 1py 0.139311 -0.207708 0.075093 0.223376 0.158933 -0.115150 32O 2pz 0.076245 -0.083123 0.041806 -0.050288 0.020512 -0.041499 32O 2px 0.002576 0.269785 -0.151755 -0.131265 -0.341429 0.223591 32O 2py -0.186959 0.174549 -0.183408 -0.487376 -0.258636 0.376603 32O 3pz 0.028213 0.021636 -0.233746 -0.130656 -0.074297 0.100816 32O 3px -0.039366 0.061921 0.028688 0.128643 -0.006304 -0.118771 32O 3py 0.143541 -0.289286 -0.060834 0.039968 0.088601 0.149472 32O 1dz2 -0.002193 0.002741 0.002991 0.005662 0.002293 -0.004555 32O 1dxz 0.001690 0.003449 -0.001569 0.003016 -0.000575 -0.005705 32O 1dyz -0.002697 0.001176 0.001596 0.003302 0.003220 -0.002453 32O 1dx2y2 -0.003131 0.000157 -0.003282 -0.005614 -0.002417 0.004649 32O 1dxy -0.000204 -0.003855 -0.002738 -0.001324 0.002300 0.001636 32O 2dz2 0.015614 -0.047212 -0.072752 -0.043858 -0.030161 0.087787 32O 2dxz 0.014912 -0.018226 -0.028374 -0.016645 0.000842 0.019794 32O 2dyz 0.005820 0.010970 -0.083736 -0.062326 -0.044415 0.039956 32O 2dx2y2 -0.013994 -0.011677 0.020359 0.046059 0.025983 -0.029476 32O 2dxy 0.001426 0.049350 -0.033231 0.042372 -0.005774 -0.063024 32O 1f0 0.001945 -0.008525 -0.007372 -0.010372 -0.000573 0.012122 32O 1f+1 -0.000313 0.003695 0.003095 0.005310 0.001414 -0.008056 32O 1f-1 0.004994 -0.015036 -0.010745 -0.013748 0.001631 0.013357 32O 1f+2 -0.003306 0.002140 0.003974 0.003403 0.003014 -0.004162 32O 1f-2 0.001343 -0.012542 0.005231 -0.004193 0.006842 0.007228 32O 1f+3 -0.003378 0.002110 -0.002523 -0.005696 -0.001765 0.002476 32O 1f-3 0.000000 0.002333 -0.002994 0.001925 0.000148 -0.005979 33O 1s -0.002752 -0.001842 0.006027 0.003591 -0.008553 -0.004177 33O 2s -0.004447 -0.000935 0.017709 0.012127 -0.026895 -0.014918 33O 3s -0.044534 -0.081444 -0.048420 -0.069942 0.127054 0.111346 33O 4s 0.493246 0.614795 -0.386369 -0.054897 0.024352 -0.309319 33O 5s -1.417564 -0.141752 0.012639 0.972579 1.565442 -0.113614 33O 1pz 0.105310 0.006843 -0.053155 0.101063 0.114027 -0.097637 33O 1px -0.031831 -0.102618 -0.001627 -0.004127 0.100453 0.079421 33O 1py -0.230551 -0.003457 0.100993 -0.063807 -0.195062 0.059236 33O 2pz -0.169279 0.147748 -0.122370 -0.093181 0.024351 0.042454 33O 2px -0.103060 -0.087673 0.225652 -0.028657 -0.310643 -0.006155 33O 2py 0.270242 -0.008995 -0.161972 0.107683 0.335555 -0.111828 33O 3pz -0.042884 -0.419793 -0.049450 -0.233626 0.323924 -0.002157 33O 3px 0.120532 -0.037673 0.023673 -0.139793 -0.490619 0.175437 33O 3py -0.198547 -0.174494 -0.050629 -0.307441 -0.208546 0.187889 33O 1dz2 -0.006608 -0.007730 -0.001608 0.001272 -0.003566 -0.002615 33O 1dxz 0.006253 0.004139 -0.006554 0.002648 0.000137 -0.006262 33O 1dyz -0.007868 -0.002683 -0.004590 0.004652 0.002945 -0.010349 33O 1dx2y2 0.001885 -0.007355 0.004647 -0.002680 -0.000695 0.005797 33O 1dxy -0.000664 0.001616 0.000408 -0.000926 -0.000545 -0.002616 33O 2dz2 -0.199391 -0.106735 0.082480 0.107540 0.019626 -0.008545 33O 2dxz 0.062305 -0.017364 0.023642 0.007676 -0.111711 -0.007486 33O 2dyz -0.173515 -0.050104 0.046207 0.142110 0.049753 -0.058371 33O 2dx2y2 0.154416 -0.023453 -0.016095 -0.037315 -0.021727 -0.007432 33O 2dxy 0.103720 0.055622 -0.013403 0.001778 -0.035358 -0.046899 33O 1f0 -0.006553 0.005632 -0.007654 -0.005577 0.009821 0.009396 33O 1f+1 0.005575 -0.002254 0.000477 0.003576 -0.010738 -0.010538 33O 1f-1 -0.010502 -0.004654 -0.002182 -0.001243 0.004209 -0.001966 33O 1f+2 0.007861 0.011416 -0.008195 0.001020 0.004682 -0.001826 33O 1f-2 0.000298 -0.001430 -0.003066 0.005707 -0.012335 -0.010769 33O 1f+3 0.004615 0.007516 -0.011824 0.001696 0.005149 -0.007034 33O 1f-3 -0.002687 0.000563 0.003072 0.001520 0.001441 0.000929 34O 1s -0.003242 0.001231 -0.004441 0.005840 -0.003816 0.005154 34O 2s -0.010588 0.001533 -0.017065 0.018913 -0.012626 0.017797 34O 3s 0.056340 0.036519 0.151906 -0.099910 0.077859 -0.125034 34O 4s -0.065425 -0.326289 -0.537753 -0.016152 -0.024022 0.247853 34O 5s 1.516697 0.216054 0.860626 -0.300339 -0.680101 -0.282953 34O 1pz 0.285562 0.049938 0.232389 -0.063153 0.115296 -0.147550 34O 1px 0.022456 -0.022711 -0.022246 0.063162 0.008765 0.016626 34O 1py 0.088748 -0.077085 0.075380 0.016126 0.160890 -0.086011 34O 2pz -0.392696 -0.027590 -0.289572 0.078613 -0.185553 0.194329 34O 2px 0.118987 -0.031281 -0.047497 -0.146462 -0.052864 -0.009299 34O 2py -0.234863 0.025050 -0.174233 0.036838 -0.190094 0.158634 34O 3pz 0.007978 -0.061757 -0.104385 -0.076447 0.225135 -0.088137 34O 3px 0.150895 -0.320478 -0.120226 -0.199388 0.238251 0.038604 34O 3py 0.298289 0.164735 0.204523 0.185374 -0.066502 -0.070919 34O 1dz2 0.001399 -0.004013 -0.003276 0.001376 0.001262 0.000295 34O 1dxz -0.000846 0.000257 -0.002073 0.004461 -0.002515 0.001722 34O 1dyz -0.001853 -0.002666 -0.004438 -0.004000 0.001328 -0.000897 34O 1dx2y2 -0.004381 -0.008874 -0.001673 -0.002509 0.000407 0.003461 34O 1dxy -0.005761 -0.002867 -0.005120 -0.001840 -0.000028 0.002600 34O 2dz2 -0.009888 -0.035234 -0.042298 -0.004418 0.028101 -0.000848 34O 2dxz 0.074451 0.051475 0.085758 0.024636 -0.066167 -0.030858 34O 2dyz -0.047066 -0.061771 -0.125631 -0.100723 0.049666 0.004043 34O 2dx2y2 -0.042320 -0.148222 -0.103577 -0.067597 0.076921 0.032585 34O 2dxy -0.175742 -0.087566 -0.171567 0.019786 0.094960 0.064035 34O 1f0 0.002932 -0.002276 -0.000542 0.001223 0.003356 0.001047 34O 1f+1 -0.002410 -0.002214 0.004386 0.003180 -0.000360 0.003079 34O 1f-1 0.002030 -0.002143 -0.005631 -0.003761 0.002087 -0.001711 34O 1f+2 -0.005407 -0.008124 -0.007365 -0.003741 0.003686 -0.001608 34O 1f-2 -0.004519 0.002944 -0.002547 0.008607 0.001060 0.001427 34O 1f+3 0.006206 0.003626 0.004295 -0.012186 0.001066 -0.004819 34O 1f-3 0.006838 0.000781 0.010718 -0.013092 -0.006480 0.001010 35O 1s 0.000535 -0.001854 0.002505 0.003739 -0.007992 0.003307 35O 2s -0.001291 -0.008852 0.010110 0.012312 -0.026958 0.013759 35O 3s 0.069988 0.103041 -0.086390 -0.075529 0.164443 -0.136743 35O 4s -0.475185 -0.441641 0.316230 0.000316 -0.260509 0.498123 35O 5s -0.525518 0.661725 -0.761856 1.294259 1.844208 -1.506219 35O 1pz 0.121675 -0.048661 -0.005249 0.042369 0.100407 -0.006219 35O 1px 0.031032 -0.172387 0.102521 0.065029 -0.116566 -0.011437 35O 1py -0.117446 0.346328 -0.189534 -0.035723 0.085641 -0.016580 35O 2pz -0.155131 0.154754 -0.059761 -0.026206 -0.010184 -0.060177 35O 2px -0.245401 0.167393 -0.155232 0.023451 0.303811 -0.004306 35O 2py 0.101054 -0.465757 0.215229 0.101083 -0.037739 -0.020528 35O 3pz 0.246674 -0.016160 0.169059 -0.352748 -0.059454 0.221473 35O 3px -0.117261 -0.323121 0.150499 0.192530 0.524730 -0.306184 35O 3py -0.036978 0.105296 0.073524 -0.207780 0.167627 0.027306 35O 1dz2 0.004930 0.003210 -0.002658 0.004805 0.006008 -0.009236 35O 1dxz -0.001304 0.005691 -0.004309 -0.000021 0.000214 -0.003826 35O 1dyz 0.002846 0.007251 -0.009946 0.004372 -0.000612 -0.013820 35O 1dx2y2 0.000771 0.001163 -0.002458 -0.003297 0.004910 0.004763 35O 1dxy 0.002581 -0.000659 -0.001628 0.000486 -0.001904 -0.003252 35O 2dz2 0.105337 0.061786 -0.105526 0.091234 0.013881 -0.114979 35O 2dxz 0.003225 0.144345 -0.118711 0.063428 0.137658 -0.113631 35O 2dyz 0.068637 0.180448 -0.225116 0.135873 0.053820 -0.228481 35O 2dx2y2 -0.015311 -0.141434 0.060021 -0.024467 0.039224 0.068051 35O 2dxy 0.003640 0.064869 -0.067527 0.048234 0.072860 -0.101885 35O 1f0 0.004773 -0.002942 0.002703 0.003744 -0.011067 -0.007639 35O 1f+1 -0.006417 -0.003682 0.008511 -0.009230 0.005829 0.009052 35O 1f-1 0.006991 0.009761 -0.006272 0.001920 0.007256 -0.012124 35O 1f+2 0.000772 -0.001664 0.001644 -0.003226 -0.000389 0.006887 35O 1f-2 -0.009933 -0.000653 0.000457 -0.004972 0.014647 0.008523 35O 1f+3 -0.000799 -0.003220 -0.002388 -0.009088 -0.007047 0.008543 35O 1f-3 0.001957 0.002227 0.004739 -0.000051 -0.002314 -0.001644 462 463 464 465 466 467 2.71544 2.71862 2.72337 2.75115 2.75202 2.75744 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s 0.000797 -0.001333 0.001227 -0.000103 0.000774 0.000035 0Rh 2s -0.005955 0.011898 -0.008596 0.000697 -0.001500 0.000395 0Rh 3s 0.001097 -0.000648 0.002023 -0.000181 0.003665 0.000449 0Rh 4s 0.031076 -0.061997 0.044443 -0.003483 0.007766 -0.002089 0Rh 5s -0.060535 0.126855 -0.078410 0.004021 0.003402 0.006934 0Rh 6s 0.042315 -0.104786 0.014974 0.016437 -0.076107 -0.014759 0Rh 7s -0.114723 0.193318 -0.307068 -0.200984 0.330577 0.054091 0Rh 8s 0.118445 0.092627 0.255378 0.081543 0.088492 0.018373 0Rh 1pz -0.004255 -0.000205 -0.003286 -0.007138 0.005491 0.002733 0Rh 1px -0.003801 -0.000604 0.004112 -0.004257 -0.000051 -0.001280 0Rh 1py 0.009831 -0.001777 -0.003892 -0.000146 0.007071 0.006623 0Rh 2pz 0.015059 0.000794 0.012556 0.026678 -0.019954 -0.009658 0Rh 2px 0.013644 0.001807 -0.016764 0.015182 0.000317 0.004695 0Rh 2py -0.035253 0.006487 0.014118 0.000892 -0.025653 -0.024853 0Rh 3pz -0.009120 -0.002195 -0.027137 -0.045597 0.023814 0.004923 0Rh 3px -0.012250 0.005914 0.057234 -0.010939 -0.002570 -0.005963 0Rh 3py 0.030961 -0.007977 -0.015902 -0.008822 0.028207 0.043504 0Rh 4pz -0.069155 0.004652 0.021719 -0.005696 0.037531 0.051979 0Rh 4px -0.047173 -0.036654 -0.117144 -0.066817 0.004289 -0.011308 0Rh 4py 0.123852 -0.014267 -0.034469 0.031723 0.068997 0.008292 0Rh 5pz 0.125634 -0.008988 -0.041207 0.030374 -0.035007 -0.109628 0Rh 5px 0.090729 0.059948 0.232999 0.138613 0.015089 0.033295 0Rh 5py -0.229569 0.029728 0.064393 -0.064149 -0.132036 -0.066693 0Rh 6pz -0.054392 -0.090195 0.302378 -0.242962 -0.279807 0.122659 0Rh 6px -0.078602 -0.008333 -0.668763 -0.386767 -0.189291 -0.283262 0Rh 6py 0.085462 0.164758 -0.005673 0.022130 -0.130319 0.492065 0Rh 1dz2 -0.007840 0.016257 0.011486 0.004545 0.006755 0.007988 0Rh 1dxz 0.007260 0.024014 0.019716 -0.008137 0.011996 0.000177 0Rh 1dyz 0.010820 0.000547 -0.010193 0.007209 0.006200 -0.010360 0Rh 1dx2y2 0.016797 -0.018256 -0.019460 -0.003582 -0.011288 -0.008093 0Rh 1dxy -0.013122 0.006185 0.001762 -0.006436 0.002450 0.008860 0Rh 2dz2 -0.002111 -0.000560 0.000659 -0.002131 -0.002691 0.001815 0Rh 2dxz 0.001011 0.000174 0.000169 -0.001179 -0.000047 -0.000947 0Rh 2dyz -0.001772 -0.002676 0.001883 -0.002756 -0.004048 0.002088 0Rh 2dx2y2 0.001323 0.000834 -0.000170 0.001186 0.000463 0.000870 0Rh 2dxy -0.002360 0.001332 0.001640 -0.001308 -0.001092 0.001552 0Rh 3dz2 0.032532 -0.044808 -0.036970 -0.003532 -0.007475 -0.031865 0Rh 3dxz -0.025802 -0.070990 -0.058736 0.029278 -0.034963 0.003777 0Rh 3dyz -0.023379 0.010761 0.021190 -0.008463 0.000627 0.020823 0Rh 3dx2y2 -0.055023 0.049386 0.057609 0.005239 0.030862 0.019816 0Rh 3dxy 0.049149 -0.024062 -0.012638 0.025018 -0.002155 -0.033249 0Rh 4dz2 -0.035841 -0.004728 0.020353 -0.032797 -0.040470 0.032602 0Rh 4dxz 0.018005 0.010446 0.013460 -0.020294 0.002449 -0.014453 0Rh 4dyz -0.025691 -0.043654 0.026039 -0.041276 -0.065977 0.030144 0Rh 4dx2y2 0.025867 0.008459 -0.008099 0.015273 0.005647 0.010580 0Rh 4dxy -0.041758 0.021533 0.026119 -0.024450 -0.017457 0.027469 0Rh 5dz2 0.041604 0.187775 -0.000255 0.157460 0.227105 -0.043314 0Rh 5dxz 0.000103 0.227341 0.134633 -0.033403 0.114990 0.055157 0Rh 5dyz 0.205350 0.184067 -0.197772 0.193567 0.328819 -0.208243 0Rh 5dx2y2 0.092681 -0.245272 -0.200831 -0.067221 -0.163321 -0.119387 0Rh 5dxy 0.014378 -0.020905 -0.077312 0.037574 0.099464 0.022236 0Rh 1f0 -0.069137 -0.005003 0.004369 0.015468 -0.003796 0.022213 0Rh 1f+1 0.001514 -0.022655 0.017551 -0.022936 -0.032124 -0.006691 0Rh 1f-1 -0.039253 -0.000231 0.043462 0.019085 -0.114593 0.034872 0Rh 1f+2 -0.069552 -0.035999 0.019860 0.001568 0.097199 0.007703 0Rh 1f-2 -0.095262 -0.034232 0.028122 -0.012410 -0.047800 0.054537 0Rh 1f+3 0.072009 -0.001668 0.021092 -0.010451 -0.015496 -0.035849 0Rh 1f-3 -0.029413 -0.024740 0.014374 -0.023460 -0.005306 0.020384 1Rh 1s -0.000838 0.001145 0.001286 -0.000697 0.000406 -0.000095 1Rh 2s 0.006235 -0.010509 -0.009220 0.001593 -0.000702 -0.000431 1Rh 3s -0.001167 0.000381 0.001996 -0.003158 0.001973 -0.000823 1Rh 4s -0.032523 0.054808 0.047690 -0.008316 0.003509 0.002285 1Rh 5s 0.063070 -0.113774 -0.085310 0.001443 0.005157 -0.009428 1Rh 6s -0.042715 0.100533 0.021387 0.054165 -0.057802 0.025161 1Rh 7s 0.121197 -0.158941 -0.314360 -0.181107 0.347989 -0.103318 1Rh 8s -0.124893 -0.119189 0.240727 -0.121172 -0.027887 -0.020138 1Rh 1pz -0.004211 -0.000281 0.003070 0.001935 -0.009333 0.003640 1Rh 1px -0.003685 -0.000063 -0.004311 -0.001840 -0.003829 -0.000846 1Rh 1py 0.009817 -0.002076 0.004050 0.006426 -0.002920 0.005911 1Rh 2pz 0.014911 0.001136 -0.011766 -0.006687 0.034596 -0.013006 1Rh 2px 0.013177 -0.000368 0.017450 0.006589 0.013610 0.003149 1Rh 2py -0.035203 0.007559 -0.014679 -0.023153 0.010873 -0.022229 1Rh 3pz -0.009176 -0.003949 0.026176 0.001469 -0.053887 0.009807 1Rh 3px -0.010763 0.012764 -0.057181 -0.004926 -0.009082 -0.004837 1Rh 3py 0.030929 -0.008920 0.016251 0.022083 -0.018045 0.039691 1Rh 4pz -0.067965 0.009472 -0.023494 0.034436 -0.025129 0.055890 1Rh 4px -0.050029 -0.049421 0.111939 -0.031745 -0.061085 -0.005014 1Rh 4py 0.123598 -0.018283 0.037017 0.076730 -0.002400 0.005603 1Rh 5pz 0.123761 -0.018478 0.045501 -0.024843 0.050493 -0.117245 1Rh 5px 0.096663 0.085268 -0.223054 0.084920 0.116311 0.022703 1Rh 5py -0.228866 0.038775 -0.069058 -0.147103 0.000131 -0.063032 1Rh 6pz -0.050396 -0.044551 -0.330584 -0.347550 -0.100328 0.102199 1Rh 6px -0.097652 -0.083866 0.647969 -0.353924 -0.262632 -0.282623 1Rh 6py 0.084840 0.154431 0.025575 -0.129375 0.087716 0.489297 1Rh 1dz2 0.007654 -0.017225 0.010135 -0.008387 -0.000410 -0.007850 1Rh 1dxz -0.007917 -0.025891 0.017593 -0.007519 0.014110 -0.001156 1Rh 1dyz -0.010494 -0.000244 -0.010516 -0.009655 -0.003190 0.008545 1Rh 1dx2y2 -0.016282 0.020799 -0.018764 0.012015 -0.003118 0.009375 1Rh 1dxy 0.013043 -0.006718 0.001299 0.000233 0.006494 -0.008700 1Rh 2dz2 0.002116 0.000559 0.000790 0.003548 0.000520 -0.001850 1Rh 2dxz -0.001021 -0.000201 0.000134 0.000597 0.000978 0.000975 1Rh 2dyz 0.001720 0.002653 0.002327 0.005232 0.000408 -0.002432 1Rh 2dx2y2 -0.001307 -0.000767 -0.000268 -0.000945 -0.000722 -0.000924 1Rh 2dxy 0.002317 -0.001444 0.001628 0.001660 0.000677 -0.001663 1Rh 3dz2 -0.031997 0.047649 -0.033633 0.008313 -0.001196 0.031601 1Rh 3dxz 0.027772 0.076614 -0.052354 0.019319 -0.045878 -0.001045 1Rh 3dyz 0.022662 -0.011548 0.020088 0.004074 0.007571 -0.013885 1Rh 3dx2y2 0.053452 -0.057122 0.056029 -0.030882 0.012243 -0.023325 1Rh 3dxy -0.048726 0.026124 -0.011240 -0.008386 -0.022268 0.033300 1Rh 4dz2 0.035632 0.004166 0.022091 0.053770 0.008470 -0.032847 1Rh 4dxz -0.018476 -0.011716 0.012097 0.007034 0.018802 0.014875 1Rh 4dyz 0.025016 0.043483 0.033128 0.083349 0.003502 -0.036717 1Rh 4dx2y2 -0.025560 -0.006475 -0.009503 -0.011589 -0.009411 -0.011052 1Rh 4dxy 0.041067 -0.023341 0.025940 0.028067 0.013842 -0.029465 1Rh 5dz2 -0.041327 -0.194834 -0.019580 -0.287189 -0.022621 0.043558 1Rh 5dxz -0.004572 -0.241656 0.117516 -0.092249 0.099649 -0.070481 1Rh 5dyz -0.199755 -0.181203 -0.227934 -0.411709 -0.007111 0.219730 1Rh 5dx2y2 -0.087047 0.265451 -0.187182 0.177053 -0.033614 0.136546 1Rh 5dxy -0.012423 0.021611 -0.080832 -0.116453 0.007691 -0.010552 1Rh 1f0 -0.069153 -0.005319 -0.007139 0.003558 0.013546 0.026858 1Rh 1f+1 0.001892 -0.021324 -0.020810 -0.040624 -0.005353 -0.005096 1Rh 1f-1 -0.040055 0.001749 -0.045252 -0.096697 0.069103 0.033732 1Rh 1f+2 -0.067972 -0.032397 -0.022738 0.086072 -0.043831 0.018345 1Rh 1f-2 -0.095057 -0.033219 -0.033397 -0.052401 0.012479 0.061623 1Rh 1f+3 0.072239 0.000271 -0.019773 -0.019077 -0.001725 -0.041112 1Rh 1f-3 -0.029099 -0.022818 -0.016666 -0.017520 -0.017126 0.022609 2C 1s -0.001415 -0.008740 0.003113 -0.003391 -0.014933 -0.000539 2C 2s -0.004512 -0.029169 0.011112 -0.012452 -0.050830 -0.002164 2C 3s -0.054824 0.006045 -0.225125 0.262531 0.545651 0.073089 2C 4s 0.460866 0.657451 0.891037 -1.194601 -1.591707 -0.243795 2C 5s -0.036468 -1.401573 0.340233 0.055630 -1.126520 -0.076296 2C 1pz -0.012125 0.042531 -0.105976 0.077652 0.175529 0.017996 2C 1px 0.022613 0.055657 -0.028866 0.023498 0.115184 -0.001218 2C 1py -0.008188 -0.012115 -0.065413 0.068632 0.188895 0.010478 2C 2pz 0.103832 -0.486816 0.798458 -0.982342 -2.447157 0.000027 2C 2px -0.133968 -0.478414 0.563811 -0.463147 -1.594426 0.057671 2C 2py 0.066174 -0.936151 0.672900 -0.571732 -1.203032 0.039326 2C 3pz 0.036388 -0.088130 0.005947 -0.017823 -0.229884 -0.015616 2C 3px -0.001812 -0.168507 -0.096795 -0.034111 -0.051372 -0.025582 2C 3py 0.029030 -0.293381 0.127657 -0.025370 -0.066328 -0.115834 2C 1dz2 0.015403 0.012222 -0.020009 0.057674 0.216736 0.004973 2C 1dxz -0.014125 0.055670 -0.002309 -0.016947 -0.085598 -0.001103 2C 1dyz 0.030113 0.197832 -0.073011 0.019775 0.128582 -0.015137 2C 1dx2y2 -0.005593 -0.039962 0.001435 0.001317 0.018420 0.014586 2C 1dxy 0.000438 -0.053275 0.000869 0.027353 0.098799 0.018735 2C 2dz2 0.033680 -0.132212 0.169927 -0.196050 -0.478886 0.029907 2C 2dxz 0.031335 -0.271471 0.012125 -0.051912 0.032936 0.040173 2C 2dyz -0.026224 -0.474253 0.405730 -0.384014 -1.148265 0.028400 2C 2dx2y2 -0.075279 -0.036203 -0.045260 0.044384 -0.146779 0.013447 2C 2dxy -0.074688 -0.040664 0.084241 -0.140555 -0.507405 -0.011332 2C 1f0 0.010797 -0.139521 0.025829 0.023020 0.164613 -0.019634 2C 1f+1 -0.001800 0.013403 -0.030034 0.013609 -0.003084 -0.011074 2C 1f-1 0.015802 0.039495 -0.004602 -0.015234 -0.004298 0.007067 2C 1f+2 -0.011992 -0.096747 -0.003078 0.032050 0.047262 -0.027726 2C 1f-2 0.006262 0.021687 -0.000101 0.018669 0.033733 -0.013390 2C 1f+3 -0.011437 -0.047444 -0.007760 0.023764 0.042363 0.014857 2C 1f-3 0.011555 0.041715 0.004632 -0.021784 -0.030804 -0.017193 3C 1s -0.012978 -0.001563 -0.004672 0.002314 -0.001148 -0.005426 3C 2s -0.044214 -0.004247 -0.015429 0.009366 -0.004222 -0.020967 3C 3s -0.105738 0.069622 -0.212965 -0.276820 0.083003 0.517263 3C 4s 1.529599 -0.187497 1.670906 1.204033 -0.388829 -2.344346 3C 5s -3.245117 -0.747426 0.149948 -0.346441 0.349480 0.550115 3C 1pz 0.019821 0.014405 -0.091664 -0.046623 0.025680 0.117301 3C 1px -0.009871 0.022795 -0.007024 -0.045528 0.016580 0.085277 3C 1py -0.022273 -0.028161 0.061461 0.074021 -0.018682 -0.153225 3C 2pz -0.820716 0.015989 0.012431 0.269103 0.066201 -0.612161 3C 2px -0.401941 -0.224445 0.050718 0.281269 -0.169758 -0.977944 3C 2py 1.341443 -0.003403 -0.575296 -0.737438 0.498209 1.989279 3C 3pz -0.369757 -0.099455 0.050114 0.040037 0.055399 -0.033025 3C 3px -0.168336 -0.167710 -0.067992 0.095376 0.054468 0.010417 3C 3py 0.585413 0.121733 -0.102654 0.036152 -0.072304 -0.063817 3C 1dz2 -0.025196 0.026622 0.015649 0.033938 -0.037569 -0.083456 3C 1dxz 0.112201 -0.018450 0.008389 0.004356 0.005443 -0.001808 3C 1dyz -0.254943 0.009792 -0.061698 0.018783 -0.029545 -0.083783 3C 1dx2y2 -0.198917 0.012435 -0.039336 -0.003809 -0.012173 -0.043616 3C 1dxy -0.156555 -0.006095 -0.049775 0.005459 0.044557 0.019943 3C 2dz2 0.046718 -0.005920 0.014433 -0.087941 0.109118 0.206155 3C 2dxz -0.259381 0.033919 0.082332 0.100645 -0.022611 -0.117219 3C 2dyz 0.639517 -0.012455 -0.091163 -0.240334 0.228442 0.758174 3C 2dx2y2 0.537728 -0.063582 -0.052225 -0.030724 -0.023452 0.224332 3C 2dxy 0.343678 0.068429 0.094679 -0.125699 -0.006617 0.321020 3C 1f0 -0.012212 0.006105 0.035304 0.009132 -0.019538 -0.031876 3C 1f+1 0.014506 0.002733 0.037304 0.020766 -0.017423 -0.034522 3C 1f-1 -0.009734 -0.019136 -0.057602 -0.002265 0.052148 0.072760 3C 1f+2 -0.149402 0.018370 -0.065631 -0.019258 -0.005491 0.041835 3C 1f-2 -0.080592 -0.003509 -0.051447 0.004906 0.033971 0.025217 3C 1f+3 0.005165 0.029356 0.006957 0.001059 -0.022032 -0.010824 3C 1f-3 -0.004082 0.016374 -0.007828 -0.000833 -0.035619 -0.022320 4C 1s 0.000538 0.004655 0.000949 0.002922 0.009144 0.003944 4C 2s 0.000956 0.011279 0.000718 0.011249 0.033668 0.012691 4C 3s 0.015897 -0.227513 0.062872 -0.257967 -0.924973 -0.239300 4C 4s -0.098678 1.243774 -0.053184 1.120076 4.059688 0.794606 4C 5s 0.010122 0.744745 -0.117289 -0.336909 0.386431 0.379966 4C 1pz -0.010919 0.028868 -0.056334 0.077966 0.097072 -0.038479 4C 1px 0.004516 -0.001375 -0.015214 0.006200 0.013183 -0.025869 4C 1py -0.020086 -0.001082 -0.040442 0.053866 0.070889 -0.030362 4C 2pz 0.139168 -0.381837 0.890639 -0.983982 -1.701476 0.230983 4C 2px -0.018831 -0.000763 0.348646 -0.070341 -0.205161 0.148971 4C 2py 0.102400 -0.185397 0.675197 -0.618732 -1.086823 0.197613 4C 3pz 0.161379 -0.317748 -0.062885 -0.135727 -0.047078 -0.422309 4C 3px 0.068866 0.134212 0.116834 0.078690 0.428824 -0.108752 4C 3py 0.099165 0.049258 -0.233939 0.051807 0.310128 0.120786 4C 1dz2 -0.010388 0.086990 0.016714 -0.014193 -0.022334 0.026962 4C 1dxz -0.013632 0.068401 -0.016053 -0.042254 -0.123855 0.023513 4C 1dyz 0.045601 0.093272 -0.054293 0.012602 0.074651 -0.020696 4C 1dx2y2 -0.003016 0.104685 0.002149 -0.019655 -0.086302 -0.000162 4C 1dxy 0.013018 -0.057618 0.021545 0.015195 0.115962 0.000883 4C 2dz2 -0.020044 0.201803 -0.392235 0.333334 0.617411 -0.074021 4C 2dxz -0.187270 -0.355844 0.018909 0.134756 -0.224309 -0.020613 4C 2dyz -0.080398 0.088256 -0.236340 0.358402 0.859004 0.008199 4C 2dx2y2 0.057172 -0.165808 0.192293 -0.151060 0.110756 0.109200 4C 2dxy -0.071427 -0.011751 0.023390 -0.057385 -0.355048 0.095391 4C 1f0 -0.005531 -0.114014 0.046460 0.022156 0.101703 -0.013953 4C 1f+1 -0.017366 -0.002938 0.013039 0.012065 -0.034428 0.055842 4C 1f-1 -0.006461 -0.069861 0.006504 -0.000449 -0.069096 -0.011879 4C 1f+2 0.007789 0.004293 0.003643 0.008344 0.094400 -0.040020 4C 1f-2 0.000200 -0.087605 0.039381 -0.037715 -0.133182 -0.089093 4C 1f+3 -0.031391 -0.029544 -0.040438 0.036419 0.069553 0.082229 4C 1f-3 0.042682 0.063616 0.049664 -0.039851 -0.064008 -0.096793 5C 1s 0.003854 -0.000229 0.003790 -0.005694 -0.000791 0.003710 5C 2s 0.000916 -0.000001 0.008069 -0.020690 -0.001000 0.017019 5C 3s -0.071064 -0.060828 -0.166223 0.454602 -0.003169 -0.504582 5C 4s 1.145943 0.122351 1.064581 -1.750260 0.099862 2.254063 5C 5s 1.118291 0.156285 0.350369 -0.007202 -0.491258 -0.691274 5C 1pz 0.027652 -0.007261 -0.046267 0.001200 0.028453 0.096057 5C 1px 0.042113 -0.031420 0.004908 -0.035965 0.023375 0.053787 5C 1py -0.069299 0.023827 0.064317 0.013520 -0.049566 -0.150820 5C 2pz -0.326636 0.022399 0.537243 0.199266 -0.274691 -1.086428 5C 2px -0.335725 0.108389 0.178066 0.278419 -0.177624 -0.535329 5C 2py 0.666524 -0.069883 -0.880602 -0.410149 0.465248 1.803420 5C 3pz -0.563782 -0.382052 0.409813 -0.186312 0.117169 0.326204 5C 3px -0.511537 -0.073556 0.380550 -0.111132 0.281844 0.324347 5C 3py 1.058326 0.686075 -0.496613 -0.229156 -0.171571 -0.124967 5C 1dz2 -0.071902 0.026580 -0.021748 -0.028011 0.018056 0.024903 5C 1dxz 0.056553 -0.036683 -0.002511 0.029377 0.041757 0.032797 5C 1dyz -0.139543 0.034794 -0.052949 0.012406 -0.039144 -0.051349 5C 1dx2y2 -0.115893 -0.028293 -0.017194 0.004257 0.068245 0.038125 5C 1dxy -0.112988 -0.029234 -0.045772 0.005041 0.015893 0.043081 5C 2dz2 0.069854 -0.018520 -0.068868 0.114633 0.039561 -0.053738 5C 2dxz 0.149746 -0.026243 -0.368273 -0.020064 -0.015458 0.108167 5C 2dyz -0.015176 -0.103419 0.113530 0.280183 -0.109981 -0.586685 5C 2dx2y2 -0.129377 -0.025467 0.399590 0.141914 -0.195698 -0.610681 5C 2dxy -0.147982 0.156579 0.438464 0.045980 -0.054325 -0.372444 5C 1f0 0.142482 -0.038958 0.061062 0.050720 -0.029097 -0.067886 5C 1f+1 0.049646 -0.007931 0.016017 0.084252 0.001926 -0.101488 5C 1f-1 -0.011893 -0.014081 -0.069168 0.043605 0.017082 -0.011190 5C 1f+2 0.132215 -0.000180 0.080337 -0.090515 0.006652 0.070443 5C 1f-2 0.071026 0.013696 0.013593 0.014202 0.008673 0.031640 5C 1f+3 -0.092015 -0.006328 -0.014368 0.018059 -0.020645 -0.036759 5C 1f-3 0.003332 0.020766 0.000322 0.047747 -0.040446 -0.068122 6C 1s -0.003995 -0.000094 0.003754 0.003635 0.004728 -0.005337 6C 2s -0.001259 -0.000589 0.008180 0.011712 0.018032 -0.022933 6C 3s 0.079063 0.065281 -0.157785 -0.256650 -0.406884 0.666109 6C 4s -1.190957 -0.172128 1.017238 0.959615 1.594474 -2.969169 6C 5s -1.128589 -0.175931 0.303077 0.468298 -0.187325 0.578663 6C 1pz 0.026746 -0.011889 0.046717 0.019074 -0.009756 0.108888 6C 1px 0.042973 -0.032525 -0.007196 -0.000525 -0.039058 0.062157 6C 1py -0.067804 0.031643 -0.064113 -0.026014 0.029995 -0.170136 6C 2pz -0.316028 0.080719 -0.546758 -0.069642 0.279184 -1.278671 6C 2px -0.336125 0.145195 -0.174415 0.029680 0.304451 -0.658603 6C 2py 0.647775 -0.172622 0.895166 0.079212 -0.533549 2.127926 6C 3pz -0.548652 -0.365151 -0.477864 -0.005598 -0.244350 0.270781 6C 3px -0.501873 -0.052927 -0.414762 0.192841 -0.247194 0.326682 6C 3py 1.042958 0.656889 0.602394 -0.236667 -0.107911 -0.029947 6C 1dz2 0.071058 -0.023588 -0.023308 -0.003168 0.030841 -0.028058 6C 1dxz -0.056515 0.040679 -0.003060 -0.050264 -0.005713 -0.044105 6C 1dyz 0.142379 -0.030854 -0.052706 0.025081 -0.029482 0.066289 6C 1dx2y2 0.115576 0.030807 -0.012082 -0.063186 0.028020 -0.046412 6C 1dxy 0.115381 0.033291 -0.041185 -0.017018 0.002134 -0.048196 6C 2dz2 -0.065025 0.020878 -0.067226 -0.098258 -0.083717 0.064094 6C 2dxz -0.140814 0.052098 -0.369517 0.035934 -0.007106 -0.107313 6C 2dyz 0.014143 0.083019 0.121320 -0.082751 -0.293232 0.733666 6C 2dx2y2 0.120081 -0.018945 0.402370 0.072279 -0.193914 0.720843 6C 2dxy 0.135074 -0.198118 0.439764 0.000252 -0.046447 0.428369 6C 1f0 0.144244 -0.030869 -0.061073 -0.004613 0.059408 -0.066484 6C 1f+1 0.049838 -0.001741 -0.014471 0.043571 0.075871 -0.103282 6C 1f-1 -0.013829 -0.018268 0.070652 0.035648 0.033916 -0.004054 6C 1f+2 0.135009 0.002453 -0.077884 -0.040708 -0.086127 0.080101 6C 1f-2 0.072062 0.013186 -0.010052 0.008919 0.007878 0.048467 6C 1f+3 -0.092724 -0.006237 0.008880 -0.005097 0.025401 -0.050877 6C 1f-3 0.003092 0.023662 0.002526 -0.016637 0.063377 -0.069256 7C 1s -0.000589 -0.004900 0.000564 -0.009306 0.001886 -0.003322 7C 2s -0.001083 -0.011730 -0.000179 -0.034132 0.006409 -0.010716 7C 3s -0.015091 0.235013 0.081650 0.910687 -0.212856 0.191423 7C 4s 0.089461 -1.311594 -0.153241 -3.994660 0.934023 -0.578592 7C 5s -0.008953 -0.779859 -0.182150 -0.257255 0.506294 -0.306528 7C 1pz -0.012074 0.020497 0.057148 0.108398 0.025581 -0.043060 7C 1px 0.004225 -0.002814 0.015389 0.011254 0.000262 -0.028890 7C 1py -0.021220 -0.007190 0.039206 0.079186 0.015865 -0.035946 7C 2pz 0.157094 -0.266126 -0.910839 -1.817781 -0.074087 0.330566 7C 2px -0.011971 0.045458 -0.349515 -0.178536 0.025685 0.181026 7C 2py 0.117834 -0.099094 -0.687765 -1.160165 -0.040666 0.274358 7C 3pz 0.157793 -0.303738 0.016424 -0.077326 -0.074615 -0.327793 7C 3px 0.077691 0.167493 -0.108247 0.454163 -0.149063 -0.108539 7C 3py 0.092196 0.061960 0.233305 0.293282 -0.069319 0.223449 7C 1dz2 0.009721 -0.093559 0.008003 0.024860 0.001712 -0.028963 7C 1dxz 0.014229 -0.073161 -0.022788 0.131432 -0.022924 -0.024723 7C 1dyz -0.044003 -0.092095 -0.062391 -0.074067 0.024991 0.022344 7C 1dx2y2 0.002282 -0.113176 -0.008155 0.086356 -0.021663 -0.005332 7C 1dxy -0.013954 0.061345 0.026647 -0.111730 0.040864 -0.000080 7C 2dz2 0.024774 -0.158841 -0.407487 -0.668429 0.002753 0.110827 7C 2dxz 0.193079 0.388129 0.064433 0.191563 -0.238732 0.044242 7C 2dyz 0.083872 -0.051936 -0.242406 -0.880685 0.089211 0.040725 7C 2dx2y2 -0.061717 0.137351 0.206113 -0.063215 0.184410 -0.131094 7C 2dxy 0.075965 -0.005859 0.027537 0.366491 -0.125871 -0.091259 7C 1f0 -0.003369 -0.117177 -0.058355 0.105110 -0.028559 -0.017658 7C 1f+1 -0.017099 -0.003418 -0.014381 -0.026108 0.028636 0.063533 7C 1f-1 -0.005971 -0.072895 -0.012915 -0.061463 0.031271 -0.007176 7C 1f+2 0.008883 0.002335 -0.003938 0.091528 -0.040945 -0.048668 7C 1f-2 0.000444 -0.089931 -0.049742 -0.133109 0.026551 -0.097646 7C 1f+3 -0.032440 -0.035022 0.036908 0.074929 0.004326 0.089375 7C 1f-3 0.044175 0.070640 -0.043815 -0.065928 -0.011532 -0.103668 8C 1s 0.013158 0.001821 -0.004216 -0.000671 -0.002657 0.007541 8C 2s 0.044833 0.005041 -0.013973 -0.002879 -0.010450 0.028289 8C 3s 0.109628 -0.040374 -0.217499 0.092226 0.278103 -0.621147 8C 4s -1.570376 0.002707 1.654593 -0.360419 -1.196372 2.724956 8C 5s 3.241352 0.751782 0.333164 -0.193098 0.480579 -0.256122 8C 1pz 0.017527 0.003272 0.094372 -0.007233 -0.051320 0.140548 8C 1px -0.009950 0.020276 0.007760 -0.012688 -0.048647 0.107527 8C 1py -0.021566 -0.020076 -0.065042 0.031939 0.072882 -0.191525 8C 2pz -0.824216 0.027701 -0.035441 0.268055 0.182140 -0.776396 8C 2px -0.402669 -0.212574 -0.078264 0.057238 0.323739 -1.218082 8C 2py 1.336680 -0.093490 0.616436 -0.074397 -0.849658 2.460972 8C 3pz -0.369339 -0.095282 -0.071254 0.080000 0.008055 -0.069602 8C 3px -0.171167 -0.173973 0.051835 0.094229 0.059166 -0.006753 8C 3py 0.582267 0.114310 0.140484 -0.056803 0.072774 0.004168 8C 1dz2 0.025582 -0.030254 0.014543 0.014837 -0.048469 0.100900 8C 1dxz -0.112573 0.019536 0.006350 -0.004647 -0.001726 -0.001937 8C 1dyz 0.257480 -0.005812 -0.056249 0.006629 -0.030378 0.113167 8C 1dx2y2 0.200616 -0.011096 -0.034076 0.006684 -0.001789 0.059483 8C 1dxy 0.158552 0.011820 -0.046108 -0.047611 0.017516 -0.016624 8C 2dz2 -0.049865 0.007428 0.014969 -0.042769 0.130920 -0.266680 8C 2dxz 0.259028 -0.049827 0.085765 -0.043040 -0.094420 0.147626 8C 2dyz -0.641138 0.033989 -0.108560 -0.024887 0.311050 -0.941050 8C 2dx2y2 -0.537961 0.072334 -0.067527 0.070682 0.003095 -0.292158 8C 2dxy -0.348260 -0.072843 0.083123 0.100388 0.100488 -0.406734 8C 1f0 -0.010804 0.010757 -0.035669 -0.013268 0.017724 -0.038376 8C 1f+1 0.013685 0.006800 -0.035940 -0.005540 0.025599 -0.036796 8C 1f-1 -0.011012 -0.026514 0.057717 0.044265 -0.024075 0.087463 8C 1f+2 -0.151300 0.012373 0.063412 -0.014596 -0.013302 0.042561 8C 1f-2 -0.082806 -0.008336 0.050428 0.032259 -0.010119 0.030270 8C 1f+3 0.005068 0.031533 -0.004556 -0.018835 0.011789 -0.014446 8C 1f-3 -0.005667 0.018270 0.008288 -0.032274 0.016581 -0.028708 9C 1s 0.001450 0.008838 0.003957 0.015032 -0.004261 -0.000219 9C 2s 0.004585 0.029372 0.013871 0.051197 -0.013566 -0.000361 9C 3s 0.058860 0.021313 -0.222739 -0.561755 0.023386 -0.040394 9C 4s -0.483393 -0.816288 0.808990 1.707261 0.329593 0.119249 9C 5s 0.036084 1.392762 0.497328 1.050431 -0.644722 -0.113885 9C 1pz -0.014814 0.032892 0.109679 0.176605 -0.013480 0.005086 9C 1px 0.022964 0.056771 0.035136 0.115325 -0.035944 -0.002592 9C 1py -0.008748 -0.022539 0.063526 0.192933 -0.029022 0.002355 9C 2pz 0.119066 -0.379449 -0.824556 -2.484291 0.281245 0.151479 9C 2px -0.131390 -0.416990 -0.613308 -1.628984 0.362301 0.086806 9C 2py 0.076995 -0.915462 -0.765197 -1.275457 0.072677 0.133912 9C 3pz 0.035203 -0.077418 -0.018492 -0.214544 0.101849 0.036152 9C 3px -0.005917 -0.179267 0.085534 -0.076563 0.006290 -0.012297 9C 3py 0.032786 -0.294714 -0.156721 -0.060337 0.011699 -0.096785 9C 1dz2 -0.015511 -0.005661 -0.021203 -0.220264 0.050988 0.003086 9C 1dxz 0.014898 -0.056607 -0.004984 0.085806 -0.026161 0.003758 9C 1dyz -0.028810 -0.200919 -0.091726 -0.121948 0.044543 0.022348 9C 1dx2y2 0.005315 0.039877 0.005706 -0.015524 0.007055 -0.017442 9C 1dxy -0.000139 0.060268 0.006837 -0.100033 0.021731 -0.016058 9C 2dz2 -0.037702 0.110134 0.179753 0.483251 -0.049651 -0.072930 9C 2dxz -0.031758 0.277103 0.030673 -0.015643 0.057396 -0.058926 9C 2dyz 0.019692 0.448399 0.448847 1.156827 -0.204168 -0.079420 9C 2dx2y2 0.078309 0.056222 -0.036859 0.127553 -0.113691 0.005349 9C 2dxy 0.076280 0.027442 0.089462 0.524801 -0.122756 0.002106 9C 1f0 0.011975 -0.148918 -0.040676 0.161543 -0.057314 -0.023845 9C 1f+1 -0.002677 0.010775 0.030470 0.005656 0.012418 -0.011902 9C 1f-1 0.015757 0.040745 0.008189 -0.007854 -0.011519 0.005723 9C 1f+2 -0.012396 -0.106459 -0.007917 0.053433 0.005350 -0.032641 9C 1f-2 0.006103 0.016128 0.000698 0.040894 -0.001313 -0.016889 9C 1f+3 -0.011892 -0.054344 0.002979 0.047677 0.001272 0.016959 9C 1f-3 0.011521 0.044780 0.000753 -0.034720 -0.005764 -0.016318 10H 1s 0.031573 0.023398 0.028418 -0.018321 0.067316 0.003520 10H 2s -0.012352 -0.292530 -0.235862 0.123960 0.264620 0.022902 10H 3s 0.044633 0.311282 0.017664 -0.045041 0.098977 -0.026689 10H 1pz 0.005763 0.003755 -0.109500 0.111171 0.288956 -0.005886 10H 1px 0.038702 0.244919 0.023805 0.035604 0.207671 -0.023011 10H 1py 0.039906 0.139900 -0.088883 0.052838 0.143985 -0.013239 11H 1s -0.029169 -0.093763 0.046557 -0.013165 -0.070408 0.013028 11H 2s -0.134591 -0.073048 0.185942 -0.300961 -1.382423 -0.002683 11H 3s 0.044761 0.195534 -0.182307 0.029626 0.368584 -0.034899 11H 1pz -0.031755 0.044390 0.015606 -0.045581 -0.231897 0.019288 11H 1px -0.051672 -0.047212 0.018860 -0.087218 -0.476862 0.018985 11H 1py 0.006640 0.169941 -0.125785 0.084853 0.278553 -0.006585 12H 1s -0.001590 0.018106 0.008357 -0.033804 -0.173661 0.020544 12H 2s -0.094012 -1.007003 0.259446 -0.041368 -0.200457 0.065773 12H 3s 0.052406 0.223652 -0.100353 0.002114 0.255660 -0.071027 12H 1pz 0.011950 0.075560 -0.086241 0.082176 0.286208 -0.025481 12H 1px -0.049192 -0.227119 0.018427 0.004163 -0.098985 0.007726 12H 1py -0.023656 -0.371728 0.084109 -0.004724 -0.048112 0.035717 13H 1s -0.043723 -0.000723 0.088400 -0.013065 0.001707 -0.017678 13H 2s -0.926551 0.167479 -0.470559 -0.043768 0.128767 0.303128 13H 3s 0.456535 0.053596 0.178125 0.042261 -0.064096 -0.144647 13H 1pz -0.275098 0.054454 -0.102641 -0.030193 0.025670 0.085862 13H 1px 0.361967 -0.009905 0.201796 -0.021278 -0.004493 0.031080 13H 1py 0.067484 -0.049774 0.082267 0.066264 -0.050668 -0.212234 14H 1s -0.028077 -0.005096 0.032753 0.014191 -0.023225 -0.077149 14H 2s -0.872445 -0.072475 -0.534139 -0.119788 0.161305 0.038409 14H 3s 0.477100 -0.003621 0.069694 0.149932 -0.001741 -0.057067 14H 1pz -0.152442 -0.034737 -0.056791 -0.044945 0.058201 0.037609 14H 1px -0.360138 -0.016373 -0.254433 -0.047167 0.044593 0.019183 14H 1py -0.247141 0.033226 0.013684 0.018009 -0.070075 -0.151521 15H 1s -0.010996 -0.005975 -0.067032 0.007024 -0.005962 -0.024447 15H 2s -0.857364 0.045125 0.073952 0.171831 -0.375052 -0.640962 15H 3s 0.463522 0.044828 -0.068883 0.051858 0.057451 0.088151 15H 1pz 0.438166 -0.000746 0.019872 -0.047798 0.084186 0.232471 15H 1px -0.016410 0.012745 -0.029950 0.004325 -0.061884 -0.049057 15H 1py 0.167875 -0.012146 -0.014441 -0.011502 0.108845 0.122404 16H 1s 0.012083 0.001569 -0.025834 -0.008772 -0.005455 -0.019526 16H 2s 0.023234 -0.349295 -0.382302 -0.046367 -0.255155 0.086716 16H 3s 0.020774 -0.073244 -0.153485 0.015034 -0.007361 -0.031858 16H 1pz 0.028610 -0.204154 -0.259396 -0.036902 -0.155344 0.022743 16H 1px -0.025982 0.083501 0.122756 0.007784 0.016368 0.005888 16H 1py -0.003984 -0.021900 -0.009551 -0.003815 -0.017855 0.047084 17H 1s -0.006549 -0.006252 -0.028776 -0.006333 -0.006328 -0.013757 17H 2s -0.075115 -0.460766 -0.453271 -0.023087 -0.169721 0.058226 17H 3s -0.017363 -0.084523 -0.145700 -0.022109 -0.068830 -0.002538 17H 1pz 0.041226 0.143732 0.140897 0.000007 0.062640 -0.009260 17H 1px -0.008200 0.230793 0.288824 0.021575 0.081405 0.003868 17H 1py -0.041556 -0.087506 -0.073181 0.010820 -0.006586 0.041022 18H 1s 0.006697 0.010825 -0.028633 0.009134 0.003884 0.013861 18H 2s 0.087964 0.497034 -0.420603 0.163014 -0.097011 -0.034433 18H 3s 0.020250 0.098505 -0.138362 0.072634 -0.013543 0.004300 18H 1pz 0.046440 0.159205 -0.133398 0.057552 -0.041126 -0.002206 18H 1px -0.000826 0.257452 -0.273839 0.084766 -0.033856 0.013341 18H 1py -0.041857 -0.085900 0.063316 0.003409 0.019406 0.035837 19H 1s -0.011275 0.001878 -0.026516 0.009385 0.005408 0.020472 19H 2s -0.012213 0.396499 -0.351086 0.253620 -0.094005 -0.075839 19H 3s -0.016964 0.090391 -0.148809 0.002635 -0.019419 0.036619 19H 1pz 0.021095 -0.235055 0.240222 -0.159007 0.048133 0.014866 19H 1px -0.023906 0.098897 -0.118757 0.022093 -0.003643 0.007308 19H 1py -0.003626 -0.029362 0.012314 -0.019158 0.005828 0.047314 20H 1s 0.013847 0.012737 -0.066953 -0.003322 -0.010019 0.036997 20H 2s 0.859245 -0.069179 0.092912 0.215277 -0.330066 0.801974 20H 3s -0.462693 -0.036883 -0.085979 -0.059128 -0.018786 -0.144223 20H 1pz 0.440094 -0.004752 -0.008382 0.030711 -0.079972 0.294872 20H 1px -0.020824 0.011324 0.030024 -0.054493 0.035364 -0.066588 20H 1py 0.167557 -0.016393 0.018654 0.086705 -0.061298 0.154838 21H 1s 0.026520 0.000503 0.034484 0.008920 -0.022251 0.097230 21H 2s 0.887792 0.130909 -0.508672 -0.111413 0.180256 -0.000919 21H 3s -0.478281 -0.005932 0.052802 -0.058335 -0.132870 0.017401 21H 1pz -0.155957 -0.042742 0.051905 0.033341 -0.068560 0.040158 21H 1px -0.365835 -0.042735 0.244976 0.027225 -0.060500 -0.001388 21H 1py -0.249161 0.037981 -0.018703 -0.039014 0.045615 -0.194628 22H 1s 0.041444 -0.007312 0.090675 0.001797 0.015684 0.019220 22H 2s 0.942605 -0.130587 -0.461198 -0.102078 0.102193 -0.320297 22H 3s -0.462723 -0.071111 0.162970 0.043004 -0.065680 0.125616 22H 1pz -0.275590 0.047190 0.097539 0.009019 -0.039669 0.091121 22H 1px 0.370796 0.006294 -0.195645 -0.026535 -0.016883 0.062928 22H 1py 0.071646 -0.041412 -0.084354 -0.004777 0.081208 -0.249622 23H 1s 0.002740 -0.022900 0.005918 0.173040 -0.054086 -0.023643 23H 2s 0.091485 1.050218 0.362895 0.214353 -0.070452 -0.086256 23H 3s -0.051789 -0.224104 -0.128610 -0.246397 0.126181 0.091375 23H 1pz 0.010863 0.070136 0.093827 0.288526 -0.062776 -0.043797 23H 1px -0.049636 -0.240397 -0.041107 -0.093120 0.053435 0.007509 23H 1py -0.023637 -0.388747 -0.122303 -0.054597 0.024527 0.042741 24H 1s 0.028046 0.098793 0.058122 0.069343 -0.022612 -0.014520 24H 2s 0.136325 0.019487 0.189354 1.375265 -0.391417 -0.022954 24H 3s -0.041825 -0.179630 -0.202861 -0.348173 0.152710 0.047817 24H 1pz -0.031865 0.058180 -0.011089 -0.232662 0.070387 0.022611 24H 1px -0.054579 -0.042108 -0.024735 -0.478197 0.152625 0.028164 24H 1py 0.003971 0.158401 0.140438 0.273388 -0.054500 -0.018942 25H 1s -0.033378 -0.031377 0.024517 -0.061067 0.050051 -0.010080 25H 2s 0.015597 0.332811 -0.215664 -0.279122 0.016568 -0.044274 25H 3s -0.046305 -0.326463 -0.011103 -0.092885 0.097885 0.039205 25H 1pz 0.005046 -0.013403 0.109975 0.303502 -0.040978 -0.006150 25H 1px 0.040460 0.257014 -0.003360 0.212327 -0.071511 -0.037213 25H 1py 0.039116 0.141616 0.103807 0.154526 -0.025867 -0.015847 26O 1s -0.000346 0.007471 0.006323 0.003285 0.008361 0.002176 26O 2s -0.000974 0.026407 0.020758 0.011488 0.030955 0.006884 26O 3s -0.001065 -0.199178 -0.126722 -0.088253 -0.241439 -0.027735 26O 4s 0.072686 0.543643 0.110755 0.281256 0.798187 -0.082659 26O 5s -0.193529 -0.857599 -0.697979 -0.215969 -1.687605 -0.215442 26O 1pz 0.023776 -0.098374 -0.100432 0.104317 0.474480 0.113759 26O 1px -0.030965 -0.159445 -0.053097 0.046262 0.009928 0.072062 26O 1py 0.089610 0.236870 0.067309 -0.141724 -0.272676 -0.241696 26O 2pz -0.007379 0.202145 0.132278 -0.168705 -0.595506 -0.145309 26O 2px 0.023977 0.171314 0.130604 -0.133267 -0.060117 -0.014522 26O 2py -0.112807 -0.366859 -0.055673 0.180660 0.506596 0.387799 26O 3pz -0.024275 -0.131504 0.003143 0.007604 0.159398 0.325346 26O 3px -0.042232 0.092831 0.544993 0.050485 0.235354 0.385843 26O 3py 0.038371 0.128790 0.364341 -0.213974 -0.352517 -0.172964 26O 1dz2 -0.000687 -0.002023 0.002266 0.002842 0.005903 0.002087 26O 1dxz -0.000767 -0.001638 0.004416 0.003632 0.010563 0.001772 26O 1dyz -0.000270 0.001726 -0.001805 0.000402 -0.007915 -0.000487 26O 1dx2y2 -0.000625 -0.006844 -0.000077 -0.001002 0.007296 0.006570 26O 1dxy 0.001857 0.002571 0.003082 -0.003151 -0.006250 -0.001983 26O 2dz2 -0.011924 -0.025801 0.090597 -0.035823 -0.060762 0.003545 26O 2dxz -0.046570 -0.064548 0.034007 -0.000241 -0.113531 -0.024054 26O 2dyz -0.042994 -0.059179 0.000749 -0.047157 -0.240346 0.021005 26O 2dx2y2 0.030394 -0.006831 -0.014405 -0.011716 0.075621 -0.046060 26O 2dxy -0.014787 -0.031167 -0.040458 -0.014287 -0.108490 0.021643 26O 1f0 0.001424 -0.009822 0.007058 -0.000891 0.001379 -0.007972 26O 1f+1 0.003314 0.002535 0.002922 -0.005233 -0.010398 -0.008511 26O 1f-1 0.000705 0.006755 -0.004035 0.000894 0.011132 -0.002082 26O 1f+2 0.000769 0.002525 -0.005986 0.001387 -0.004998 -0.002473 26O 1f-2 -0.000549 0.005608 -0.004417 -0.000130 0.003752 0.006256 26O 1f+3 0.003792 -0.006972 -0.000178 0.002784 0.013402 -0.006617 26O 1f-3 -0.004063 0.003425 -0.002179 0.001517 -0.006481 0.006239 27O 1s 0.001530 0.006283 0.008299 -0.003042 0.003134 0.003786 27O 2s 0.003261 0.021553 0.028213 -0.010892 0.010717 0.014075 27O 3s 0.010010 -0.139388 -0.185174 0.074965 -0.079803 -0.111954 27O 4s -0.152542 0.198809 0.351542 -0.163118 0.206594 0.393149 27O 5s 0.648457 -0.123291 -1.502817 0.345196 -0.022560 -0.441472 27O 1pz 0.032202 0.031454 0.015049 0.216385 -0.120714 -0.260981 27O 1px -0.044926 -0.051290 -0.064614 0.066422 -0.033665 -0.087387 27O 1py -0.039760 0.063044 -0.109669 0.166100 -0.132679 -0.269534 27O 2pz -0.062096 -0.062663 0.008688 -0.299122 0.189598 0.403554 27O 2px 0.028072 0.082839 0.181768 -0.117263 -0.007605 0.068680 27O 2py 0.081283 -0.115952 0.069547 -0.211343 0.204066 0.399094 27O 3pz 0.145909 0.080889 -0.132767 0.315700 -0.047544 -0.439393 27O 3px -0.022010 -0.102801 0.450518 -0.011397 -0.096499 -0.200254 27O 3py -0.232988 0.008179 -0.078996 0.170586 -0.122653 -0.062281 27O 1dz2 -0.002736 0.003757 0.002680 -0.003194 -0.002465 0.001269 27O 1dxz 0.006033 -0.000484 -0.000357 0.004437 -0.001976 -0.003858 27O 1dyz -0.012146 -0.001665 0.001727 -0.003345 0.000555 0.005584 27O 1dx2y2 -0.007224 0.001395 0.004206 0.002969 -0.000836 -0.007275 27O 1dxy -0.009016 0.002638 0.000984 0.000331 -0.002777 -0.003761 27O 2dz2 -0.051917 0.023878 0.061207 -0.056153 -0.002680 0.042344 27O 2dxz 0.081626 -0.012897 -0.054026 -0.039243 0.002700 0.007866 27O 2dyz -0.156159 0.003802 0.030351 -0.041034 -0.013380 0.088159 27O 2dx2y2 -0.096755 0.035760 0.005359 -0.039426 0.017794 0.048238 27O 2dxy -0.106214 0.033687 0.132825 -0.048310 0.023535 0.041650 27O 1f0 0.002725 0.001820 0.001895 -0.000965 -0.003163 -0.008495 27O 1f+1 -0.001828 -0.000668 -0.002512 -0.005048 0.001741 0.005417 27O 1f-1 0.006316 0.002418 0.000834 0.001887 0.000017 -0.003714 27O 1f+2 0.012701 -0.003713 -0.002253 0.009732 0.002156 -0.005642 27O 1f-2 -0.003502 0.002646 -0.006737 -0.002742 0.000348 0.001889 27O 1f+3 0.009224 0.002888 0.005198 0.001424 -0.000154 -0.004372 27O 1f-3 0.011961 0.004699 0.004874 -0.009339 -0.005281 0.005432 28O 1s 0.001358 -0.000088 0.002707 -0.001108 0.006024 -0.000137 28O 2s 0.003637 -0.003046 0.010912 -0.003595 0.014216 -0.000165 28O 3s -0.005443 0.072245 -0.102810 0.026044 0.019657 0.001656 28O 4s -0.121104 -0.402214 0.292932 -0.083507 -0.539728 -0.010215 28O 5s -0.029263 0.325525 -0.481914 0.554352 0.039314 -0.182121 28O 1pz -0.029493 0.177858 -0.158934 0.082354 0.016036 0.147327 28O 1px -0.036635 0.051586 -0.068043 0.023306 -0.106194 0.105538 28O 1py 0.025953 -0.135055 0.193721 -0.060712 0.001714 -0.254147 28O 2pz 0.093914 -0.192934 0.232302 -0.115603 0.183727 -0.174226 28O 2px -0.004062 -0.189951 0.147656 -0.028614 -0.102753 -0.170548 28O 2py -0.019821 0.203239 -0.270033 0.083185 -0.014901 0.366440 28O 3pz -0.030453 0.270463 0.124961 0.003741 -0.287149 0.339307 28O 3px -0.060194 0.001809 -0.327305 0.218956 -0.079036 0.034529 28O 3py 0.029372 -0.026773 0.225518 -0.103497 -0.474292 -0.308785 28O 1dz2 -0.000948 0.010849 -0.006086 0.000235 0.004881 0.002608 28O 1dxz -0.002650 -0.002095 0.000191 -0.003335 -0.008803 0.001429 28O 1dyz 0.000771 0.002021 -0.003088 -0.001491 0.008283 -0.004544 28O 1dx2y2 0.001741 0.002353 0.002702 -0.000097 -0.000705 -0.000297 28O 1dxy -0.001014 0.000239 -0.002404 -0.000670 -0.002991 0.004588 28O 2dz2 0.030030 0.165222 -0.047505 0.040952 0.031148 -0.063373 28O 2dxz 0.006115 0.050577 0.037809 -0.044379 -0.058027 0.016905 28O 2dyz 0.030037 0.097540 -0.039368 0.081171 0.163577 -0.007292 28O 2dx2y2 -0.001285 -0.003716 0.018357 -0.048173 -0.144681 -0.002389 28O 2dxy 0.005501 -0.033814 0.024228 -0.046325 -0.139031 -0.028733 28O 1f0 0.003547 0.009341 0.002091 -0.004920 -0.016091 -0.004941 28O 1f+1 0.002652 -0.003504 0.005261 -0.002665 -0.017325 -0.010193 28O 1f-1 0.001292 -0.001983 -0.001224 0.004455 0.006125 -0.000368 28O 1f+2 0.001203 0.006149 -0.001623 -0.002520 0.008468 0.000194 28O 1f-2 -0.003282 -0.007883 0.000252 0.005973 -0.000250 0.005283 28O 1f+3 0.004091 0.007629 0.000541 -0.002905 -0.006423 -0.004808 28O 1f-3 -0.002681 -0.006859 0.004733 0.000967 0.006899 0.007824 29O 1s 0.002812 -0.013584 -0.014687 -0.001337 -0.010047 -0.003224 29O 2s 0.009887 -0.042219 -0.045905 -0.004473 -0.032377 -0.011944 29O 3s -0.069182 0.175073 0.195282 0.026538 0.163945 0.099531 29O 4s 0.107094 -0.069316 -0.154947 -0.073599 -0.157699 -0.219923 29O 5s -0.024141 0.751442 1.190631 0.248508 0.483384 0.148856 29O 1pz 0.054031 -0.050374 -0.151251 -0.020964 -0.016682 -0.021592 29O 1px -0.053063 0.265617 0.479274 0.071800 0.073712 0.057102 29O 1py -0.101506 0.138579 0.228661 0.051454 0.091890 0.131118 29O 2pz -0.043018 0.049969 0.183285 0.000193 -0.059017 0.053602 29O 2px 0.101106 -0.242514 -0.557804 -0.101869 -0.051871 -0.102242 29O 2py 0.140217 -0.407388 -0.570007 -0.094654 -0.237092 -0.165582 29O 3pz 0.074392 -0.007251 -0.090585 0.062673 0.035593 -0.002894 29O 3px 0.000002 0.175530 0.248045 -0.015842 0.034382 -0.018430 29O 3py -0.085173 -0.111971 -0.098623 0.001265 -0.040436 0.038097 29O 1dz2 -0.000073 -0.004349 -0.004831 0.000397 -0.003212 0.000310 29O 1dxz 0.000249 -0.005492 -0.005469 -0.002072 -0.004929 -0.000378 29O 1dyz 0.000718 -0.000146 0.001366 -0.001683 -0.002698 0.000088 29O 1dx2y2 -0.000540 0.004612 0.003257 0.000521 0.003183 -0.000049 29O 1dxy -0.001109 0.003375 0.003471 -0.000790 0.000288 0.002929 29O 2dz2 -0.019419 0.046124 0.071577 0.016279 0.030532 -0.031832 29O 2dxz 0.015188 0.071322 0.095451 -0.025188 -0.020651 -0.014480 29O 2dyz -0.023263 -0.017141 0.003693 -0.002848 0.020849 -0.004585 29O 2dx2y2 0.024810 -0.024060 -0.070488 -0.002336 -0.016419 -0.016581 29O 2dxy -0.036487 -0.068514 -0.066347 -0.004895 -0.044008 0.036346 29O 1f0 0.000139 -0.013387 -0.016229 -0.000361 -0.005343 0.002224 29O 1f+1 -0.001186 0.006605 0.009134 0.001589 0.003072 -0.000119 29O 1f-1 -0.000735 -0.010372 -0.009615 0.000307 -0.005649 0.004677 29O 1f+2 -0.000627 0.003417 0.006295 -0.000235 0.000598 -0.001398 29O 1f-2 -0.001691 -0.009546 -0.006693 0.000368 -0.003461 0.001575 29O 1f+3 0.000916 -0.001312 0.000011 -0.000652 -0.002753 -0.001876 29O 1f-3 0.001421 0.006576 0.007381 0.001221 0.001955 -0.003025 30O 1s 0.003429 -0.000805 0.005696 -0.004194 0.000024 -0.000012 30O 2s 0.010959 -0.003953 0.017936 -0.013689 -0.000336 -0.001064 30O 3s -0.060389 0.058745 -0.086298 0.071772 0.005405 0.025794 30O 4s 0.095419 -0.301649 -0.004563 -0.012723 -0.007661 -0.085277 30O 5s 0.112538 0.483554 -1.444303 0.225803 0.157399 0.441931 30O 1pz 0.002177 -0.035003 -0.157193 0.242312 0.013052 -0.136685 30O 1px 0.068624 0.005276 -0.025786 0.035802 -0.016814 -0.052220 30O 1py 0.050729 -0.054642 -0.094481 0.160131 0.018368 -0.153935 30O 2pz -0.045076 0.103579 0.338212 -0.420360 -0.012905 0.197362 30O 2px -0.065324 -0.078843 -0.083520 0.006542 0.026766 0.054047 30O 2py -0.030984 0.065205 -0.016442 -0.171806 -0.022361 0.214986 30O 3pz 0.039867 -0.107051 0.101826 0.227846 -0.259760 -0.526921 30O 3px 0.085955 0.146038 -0.661874 0.219718 0.005253 0.060103 30O 3py -0.052865 -0.046758 -0.203008 0.398747 0.274639 0.082755 30O 1dz2 0.000816 -0.004050 0.002298 0.006946 0.001439 -0.001685 30O 1dxz 0.004719 -0.000516 -0.001400 0.001578 -0.000502 0.000117 30O 1dyz -0.008620 0.002278 -0.000548 -0.000247 -0.001711 -0.001331 30O 1dx2y2 -0.007590 -0.003553 -0.001759 0.001296 -0.000679 -0.002924 30O 1dxy -0.007423 -0.002361 0.005810 -0.004446 0.000999 0.003978 30O 2dz2 -0.008240 -0.017493 0.029745 -0.034015 0.033779 0.111395 30O 2dxz 0.017385 -0.005855 0.013789 0.009182 -0.006179 -0.014110 30O 2dyz -0.089101 -0.010226 0.065670 0.022699 -0.021948 -0.087675 30O 2dx2y2 -0.062420 -0.060557 0.025137 0.013310 -0.006158 -0.052346 30O 2dxy -0.053470 -0.006102 -0.043281 0.017900 0.029067 0.033213 30O 1f0 0.001705 -0.000085 -0.008040 -0.002863 0.002502 0.002315 30O 1f+1 0.001266 -0.003937 0.005264 -0.004760 0.001327 0.003054 30O 1f-1 -0.003839 -0.003809 0.000105 0.007653 -0.003238 -0.006323 30O 1f+2 -0.006071 0.000842 0.001820 0.003692 -0.000767 -0.011414 30O 1f-2 0.009480 0.004507 0.007221 -0.001764 -0.002620 -0.002120 30O 1f+3 -0.012931 -0.001768 -0.001733 0.000249 0.003453 -0.000433 30O 1f-3 -0.007704 0.002961 -0.002957 -0.009763 0.004319 0.013930 31O 1s -0.003648 0.000109 0.005681 0.002164 0.003563 -0.000661 31O 2s -0.011660 0.001710 0.017960 0.007362 0.011328 -0.000608 31O 3s 0.063875 -0.045883 -0.088905 -0.040697 -0.054955 -0.026024 31O 4s -0.095823 0.290730 0.012102 0.017170 -0.011998 0.122923 31O 5s -0.068008 -0.370383 -1.483016 -0.281357 -0.151493 -0.435509 31O 1pz -0.005372 -0.037911 0.161848 0.125436 0.214314 -0.118205 31O 1px 0.067705 0.004489 0.031137 0.000118 0.042697 -0.054919 31O 1py 0.045857 -0.054427 0.097587 0.096069 0.138772 -0.148838 31O 2pz -0.029923 0.115763 -0.342052 -0.211130 -0.379165 0.182763 31O 2px -0.068058 -0.084154 0.071991 0.033431 -0.005227 0.035084 31O 2py -0.028604 0.055415 0.012273 -0.104406 -0.143936 0.195271 31O 3pz 0.040205 -0.081343 -0.109012 -0.111998 0.330407 -0.549043 31O 3px 0.066717 0.092873 0.682467 0.112990 0.204571 0.030305 31O 3py -0.061018 -0.062054 0.212243 0.418858 0.233251 0.111615 31O 1dz2 -0.000800 0.003760 0.002329 -0.004493 -0.005694 0.001339 31O 1dxz -0.004702 0.000940 -0.001492 -0.000213 -0.001646 0.000097 31O 1dyz 0.008586 -0.002223 -0.000638 0.001404 -0.000487 0.002819 31O 1dx2y2 0.007661 0.003778 -0.001376 -0.000355 -0.001432 0.003888 31O 1dxy 0.007224 0.001815 0.006324 0.001220 0.004453 -0.004128 31O 2dz2 0.007905 0.019504 0.030053 -0.010333 0.047175 -0.128020 31O 2dxz -0.017946 0.006104 0.013887 0.000752 -0.011827 0.012088 31O 2dyz 0.086892 0.004131 0.066629 0.010222 -0.027426 0.098667 31O 2dx2y2 0.061895 0.061322 0.029327 -0.002361 -0.011583 0.068421 31O 2dxy 0.054339 0.009219 -0.043129 -0.033030 -0.004125 -0.036840 31O 1f0 0.001459 -0.000849 0.008054 0.001277 -0.003567 0.001870 31O 1f+1 0.001291 -0.003883 -0.005721 -0.000788 -0.005262 0.002539 31O 1f-1 -0.003959 -0.003604 -0.000707 0.000809 0.008262 -0.007376 31O 1f+2 -0.005993 0.001435 -0.002085 0.001360 0.003698 -0.011888 31O 1f-2 0.009763 0.004953 -0.006611 -0.003437 -0.000587 -0.000620 31O 1f+3 -0.012971 -0.001765 0.001344 0.003395 -0.001213 -0.000898 31O 1f-3 -0.007775 0.002061 0.003023 -0.001021 -0.011005 0.015747 32O 1s -0.002435 0.015291 -0.013840 0.009549 -0.004277 0.004300 32O 2s -0.008707 0.047608 -0.043307 0.030822 -0.013548 0.015446 32O 3s 0.064270 -0.199562 0.185660 -0.157222 0.062872 -0.118276 32O 4s -0.103507 0.093075 -0.153399 0.174982 -0.012148 0.238016 32O 5s -0.007330 -0.883004 1.130907 -0.562473 0.051199 -0.183574 32O 1pz 0.051666 -0.070416 0.149867 -0.029301 -0.011229 -0.023535 32O 1px -0.041366 0.316672 -0.459853 0.110315 0.019777 0.058693 32O 1py -0.095129 0.167110 -0.220796 0.112616 -0.002354 0.138340 32O 2pz -0.040632 0.074368 -0.192489 -0.044579 0.023528 0.057381 32O 2px 0.087901 -0.302632 0.537205 -0.108842 -0.063963 -0.096930 32O 2py 0.125538 -0.472584 0.542960 -0.268989 0.046962 -0.184423 32O 3pz 0.073758 -0.018792 0.088943 0.058734 0.034325 -0.001579 32O 3px 0.005935 0.198161 -0.236514 0.026589 -0.035197 -0.015731 32O 3py -0.087087 -0.117414 0.086723 -0.032057 0.028744 0.034452 32O 1dz2 0.000241 0.005027 -0.004515 0.002790 -0.002107 -0.000216 32O 1dxz -0.000067 0.006017 -0.005122 0.005298 -0.000828 0.000764 32O 1dyz -0.000734 0.000353 0.001379 0.003332 0.000311 -0.000124 32O 1dx2y2 0.000477 -0.005053 0.002928 -0.003174 0.001377 -0.000360 32O 1dxy 0.001044 -0.003508 0.003211 0.000279 0.001031 -0.003210 32O 2dz2 0.016905 -0.055990 0.068881 -0.032190 0.000093 0.030182 32O 2dxz -0.017635 -0.080866 0.092792 0.029249 0.017913 0.011910 32O 2dyz 0.022662 0.012004 0.004817 -0.018806 0.009479 0.007489 32O 2dx2y2 -0.023650 0.030454 -0.067568 0.017113 -0.004709 0.016017 32O 2dxy 0.037874 0.073193 -0.059738 0.043056 -0.022300 -0.032257 32O 1f0 -0.000228 -0.014261 0.014612 -0.004700 0.002769 0.001446 32O 1f+1 -0.000854 0.008156 -0.009183 0.003773 -0.000499 0.000018 32O 1f-1 -0.001088 -0.012098 0.009263 -0.005096 0.003546 0.004446 32O 1f+2 -0.000386 0.004853 -0.006546 0.000815 -0.000732 -0.001695 32O 1f-2 -0.001983 -0.009432 0.005641 -0.002624 0.002765 0.001048 32O 1f+3 0.000819 -0.001871 0.000182 -0.002921 0.000895 -0.002051 32O 1f-3 0.001669 0.006996 -0.006681 0.002343 -0.000326 -0.002899 33O 1s -0.001494 -0.000450 0.002608 -0.005016 0.003744 -0.000236 33O 2s -0.004069 0.001212 0.010875 -0.011280 0.009510 -0.001063 33O 3s 0.007850 -0.060235 -0.108631 -0.032629 -0.009034 0.006457 33O 4s 0.120509 0.384166 0.337766 0.558453 -0.205257 0.002652 33O 5s 0.035671 -0.222341 -0.514097 -0.275999 -0.426716 0.209837 33O 1pz -0.034420 0.173958 0.174950 0.040074 0.070228 0.163777 33O 1px -0.040227 0.049526 0.072297 -0.097264 0.077682 0.115665 33O 1py 0.031093 -0.134413 -0.208838 -0.007876 -0.067215 -0.289577 33O 2pz 0.102183 -0.178014 -0.245236 0.139341 -0.199536 -0.195651 33O 2px -0.000459 -0.192493 -0.168754 -0.099914 0.018670 -0.185341 33O 2py -0.027354 0.206657 0.293197 0.000137 0.098066 0.416393 33O 3pz -0.030522 0.284848 -0.106767 -0.257294 0.142225 0.353081 33O 3px -0.070859 -0.049529 0.330814 0.000934 0.232983 0.049257 33O 3py 0.033689 -0.024118 -0.234449 -0.444707 0.106985 -0.348294 33O 1dz2 0.001018 -0.010787 -0.007046 -0.004088 0.001974 -0.002792 33O 1dxz 0.002697 0.002186 0.000557 0.009831 -0.001579 -0.001317 33O 1dyz -0.000791 -0.001459 -0.003136 -0.007091 0.005484 0.005077 33O 1dx2y2 -0.001827 -0.002860 0.002375 0.000629 -0.000047 0.000046 33O 1dxy 0.001090 -0.000068 -0.002431 0.003339 -0.001048 -0.005027 33O 2dz2 -0.030603 -0.166391 -0.064607 -0.051954 -0.013673 0.072414 33O 2dxz -0.006832 -0.058474 0.033258 0.069810 0.010886 -0.019161 33O 2dyz -0.030720 -0.089126 -0.049679 -0.187568 0.010550 0.005044 33O 2dx2y2 0.002221 -0.000213 0.018436 0.155180 -0.027442 -0.001285 33O 2dxy -0.005457 0.030715 0.028096 0.141246 -0.023987 0.030256 33O 1f0 0.003521 0.010309 -0.001007 -0.016420 0.003004 -0.004922 33O 1f+1 0.002734 -0.003256 -0.005635 -0.016574 0.005386 -0.010361 33O 1f-1 0.001202 -0.001993 0.001188 0.007468 0.001083 -0.000699 33O 1f+2 0.001280 0.006458 0.002241 0.006942 -0.006537 -0.000103 33O 1f-2 -0.003308 -0.008361 -0.000920 0.001657 0.005667 0.005928 33O 1f+3 0.004070 0.008383 0.000472 -0.006628 -0.000009 -0.005160 33O 1f-3 -0.002492 -0.006739 -0.005291 0.006641 -0.001993 0.008924 34O 1s -0.001765 -0.007302 0.007907 -0.001530 0.004307 -0.004260 34O 2s -0.004054 -0.025012 0.026935 -0.004962 0.015160 -0.015891 34O 3s -0.004910 0.161931 -0.178873 0.039386 -0.106734 0.125966 34O 4s 0.142623 -0.234287 0.354263 -0.101071 0.244980 -0.453355 34O 5s -0.606193 0.244437 -1.522745 -0.177640 -0.370608 0.547224 34O 1pz 0.031998 0.049972 -0.013155 -0.009266 0.252607 -0.265103 34O 1px -0.046904 -0.055762 0.059645 0.001240 0.077230 -0.098664 34O 1py -0.043985 0.066861 0.113290 -0.032871 0.216154 -0.307487 34O 2pz -0.060959 -0.086678 -0.013515 0.031509 -0.362442 0.420531 34O 2px 0.033475 0.097741 -0.170293 -0.063411 -0.111565 0.085849 34O 2py 0.084221 -0.129614 -0.076293 0.073065 -0.287827 0.448761 34O 3pz 0.140791 0.085936 0.149486 0.119801 0.313599 -0.455878 34O 3px -0.010548 -0.053173 -0.460516 -0.077773 0.022961 -0.197732 34O 3py -0.234053 0.009250 0.073806 -0.044149 0.221982 -0.078481 34O 1dz2 0.002633 -0.003970 0.002423 0.003707 0.001340 -0.000827 34O 1dxz -0.006047 0.000278 -0.000451 -0.000190 -0.005246 0.004270 34O 1dyz 0.012131 0.001570 0.002156 0.001262 0.003332 -0.006404 34O 1dx2y2 0.007092 -0.002010 0.004264 -0.000890 -0.002738 0.008062 34O 1dxy 0.009044 -0.002917 0.001013 0.002182 -0.001469 0.004283 34O 2dz2 0.049358 -0.027565 0.061629 0.029802 0.048435 -0.044358 34O 2dxz -0.080663 0.017947 -0.055116 0.015503 0.032777 -0.000540 34O 2dyz 0.155723 -0.005748 0.034957 0.037951 0.030200 -0.106450 34O 2dx2y2 0.096128 -0.034224 0.006552 0.004896 0.045298 -0.051527 34O 2dxy 0.102612 -0.044038 0.135206 0.003587 0.061811 -0.051756 34O 1f0 0.002728 0.002188 -0.001720 -0.002659 0.000476 -0.010786 34O 1f+1 -0.001873 -0.001154 0.002009 -0.000562 -0.005405 0.004319 34O 1f-1 0.006376 0.002571 -0.000276 0.001032 0.001681 -0.003921 34O 1f+2 0.012614 -0.003811 0.002443 0.006746 0.007758 -0.005644 34O 1f-2 -0.003704 0.002121 0.006896 -0.000974 -0.002246 0.001789 34O 1f+3 0.009426 0.003506 -0.004796 0.000684 0.001380 -0.005133 34O 1f-3 0.012154 0.004608 -0.004281 -0.009500 -0.006088 0.005508 35O 1s 0.000128 -0.008536 0.005696 -0.009424 0.001428 -0.002485 35O 2s 0.000215 -0.029962 0.018522 -0.034508 0.005804 -0.008017 35O 3s 0.006555 0.221272 -0.109617 0.268315 -0.046167 0.036561 35O 4s -0.084346 -0.572551 0.060941 -0.870503 0.154268 0.067319 35O 5s 0.219827 1.021533 -0.618689 1.700000 -0.635572 0.269576 35O 1pz 0.023115 -0.108643 0.094953 0.471043 -0.123387 0.125894 35O 1px -0.033844 -0.174101 0.037201 0.020163 0.044963 0.075679 35O 1py 0.092919 0.258509 -0.042273 -0.294169 -0.012593 -0.260705 35O 2pz -0.005793 0.223131 -0.117478 -0.602230 0.118879 -0.157524 35O 2px 0.027356 0.204882 -0.113229 -0.100695 -0.098374 -0.015668 35O 2py -0.116576 -0.392111 0.018030 0.518035 -0.056268 0.419419 35O 3pz -0.021917 -0.132164 -0.011670 0.136319 -0.056482 0.326044 35O 3px -0.029081 0.169958 -0.542657 0.243864 -0.062511 0.393589 35O 3py 0.049328 0.182632 -0.358129 -0.380253 -0.044796 -0.216106 35O 1dz2 0.000627 0.002381 0.002431 -0.006313 0.000190 -0.001839 35O 1dxz 0.000625 0.001511 0.004535 -0.010882 0.001589 -0.001719 35O 1dyz 0.000385 -0.001651 -0.001801 0.007019 -0.004094 0.001022 35O 1dx2y2 0.000605 0.007517 0.000586 -0.005875 0.004081 -0.007269 35O 1dxy -0.001931 -0.002978 0.002807 0.006936 0.000044 0.002091 35O 2dz2 0.010251 0.020320 0.093979 0.069934 0.002644 -0.000339 35O 2dxz 0.047033 0.070415 0.042666 0.110121 -0.054993 0.033141 35O 2dyz 0.044682 0.063251 0.010156 0.243220 -0.076150 -0.016562 35O 2dx2y2 -0.031164 0.012620 -0.015163 -0.068614 0.050338 0.044911 35O 2dxy 0.016681 0.039499 -0.037530 0.111464 -0.042489 -0.021617 35O 1f0 0.001632 -0.009852 -0.008148 0.001237 -0.001802 -0.008544 35O 1f+1 0.003313 0.002788 -0.002753 -0.010917 0.000013 -0.008869 35O 1f-1 0.000754 0.006948 0.004703 0.010585 -0.004530 -0.001789 35O 1f+2 0.000560 0.002134 0.006243 -0.004076 0.003634 -0.003170 35O 1f-2 -0.000633 0.005721 0.004970 0.003330 -0.001595 0.006693 35O 1f+3 0.003831 -0.007981 -0.000432 0.013568 -0.004103 -0.007648 35O 1f-3 -0.004036 0.003285 0.002379 -0.005697 0.004710 0.007577 468 469 470 471 472 473 2.75896 2.77294 2.77779 2.78739 2.79548 2.80364 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s 0.000101 -0.000934 -0.000065 0.001471 0.000177 -0.000647 0Rh 2s -0.004002 0.004439 -0.002467 -0.020208 -0.002733 0.012063 0Rh 3s -0.001839 -0.002831 -0.001883 -0.003586 -0.000617 0.003508 0Rh 4s 0.020873 -0.023285 0.012865 0.105235 0.014164 -0.062814 0Rh 5s -0.053365 0.036063 -0.036791 -0.235927 -0.031286 0.147641 0Rh 6s 0.085578 0.005886 0.070795 0.266307 0.028520 -0.190288 0Rh 7s -0.307757 0.020435 -0.239232 -0.631597 0.073479 0.635618 0Rh 8s 0.010215 -0.115819 -0.045572 0.030128 -0.111350 -0.147558 0Rh 1pz -0.003531 -0.011465 -0.001069 0.011209 -0.000485 0.000430 0Rh 1px -0.001158 -0.001861 -0.003376 0.004471 -0.001818 -0.000940 0Rh 1py 0.004165 0.001091 0.013276 0.001308 0.012973 0.001577 0Rh 2pz 0.013076 0.042062 0.003987 -0.041067 0.001239 -0.001898 0Rh 2px 0.003851 0.007435 0.012214 -0.017494 0.006843 0.004475 0Rh 2py -0.015325 -0.004162 -0.048979 -0.005066 -0.047512 -0.005579 0Rh 3pz -0.019792 -0.054583 -0.006252 0.053905 0.009444 0.009295 0Rh 3px 0.002886 -0.022276 -0.012779 0.045908 -0.012583 -0.026950 0Rh 3py 0.021818 0.008706 0.071850 0.011604 0.060448 0.002907 0Rh 4pz -0.013889 -0.088455 -0.005600 0.070116 -0.047616 -0.025672 0Rh 4px -0.038364 0.037534 -0.034957 -0.063474 0.002056 0.077086 0Rh 4py 0.017308 -0.004782 0.049689 -0.006528 0.099935 0.029809 0Rh 5pz 0.034216 0.222340 0.023061 -0.116794 0.083929 0.049007 0Rh 5px 0.063043 -0.065447 0.062378 0.108604 0.000201 -0.128947 0Rh 5py -0.022551 -0.000258 -0.069265 -0.009607 -0.222400 -0.060797 0Rh 6pz 0.083404 -0.550524 0.061304 -0.147500 0.061979 0.003704 0Rh 6px -0.013913 0.311992 0.007577 -0.154882 0.096927 0.148507 0Rh 6py -0.045192 0.155963 -0.162264 -0.244641 0.148765 0.008353 0Rh 1dz2 -0.000784 -0.001876 0.005903 -0.015217 -0.009232 0.006079 0Rh 1dxz -0.003297 -0.013863 -0.004168 -0.000878 -0.002628 0.007059 0Rh 1dyz -0.012936 -0.006463 0.015017 0.006977 0.020405 0.002933 0Rh 1dx2y2 0.008298 0.009416 0.006506 0.017460 0.008351 -0.008497 0Rh 1dxy -0.000748 0.000748 0.021879 0.002137 0.008057 0.000339 0Rh 2dz2 -0.000617 0.002591 0.000215 -0.000099 -0.004555 -0.000312 0Rh 2dxz 0.000393 0.001281 0.000305 0.001462 0.001578 -0.000562 0Rh 2dyz -0.002881 0.002923 -0.000519 0.000618 -0.008632 0.000281 0Rh 2dx2y2 -0.000464 -0.002055 -0.000541 -0.001029 -0.003035 0.001259 0Rh 2dxy -0.001047 0.000077 0.000627 -0.001051 -0.004143 0.000804 0Rh 3dz2 0.005001 -0.006374 -0.018446 0.045405 0.048432 -0.016494 0Rh 3dxz 0.007754 0.035049 0.010873 -0.004213 0.000549 -0.018207 0Rh 3dyz 0.051474 0.005574 -0.041963 -0.023490 -0.020501 -0.009949 0Rh 3dx2y2 -0.022208 -0.018383 -0.016705 -0.046617 -0.010812 0.019201 0Rh 3dxy 0.007142 -0.002623 -0.067484 -0.001474 -0.004656 -0.004774 0Rh 4dz2 -0.008375 0.039883 0.005834 -0.008064 -0.078452 -0.003390 0Rh 4dxz 0.007248 0.015407 0.003474 0.022873 0.023819 -0.007574 0Rh 4dyz -0.054287 0.044516 -0.002289 0.012753 -0.131268 0.005057 0Rh 4dx2y2 -0.004710 -0.027776 -0.005761 -0.011681 -0.043835 0.018294 0Rh 4dxy -0.019027 0.002471 0.017961 -0.015462 -0.065073 0.013405 0Rh 5dz2 0.012443 -0.140099 0.046788 -0.122063 0.185941 0.085981 0Rh 5dxz -0.083939 -0.206118 -0.065996 -0.089881 -0.113623 0.109150 0Rh 5dyz 0.111305 -0.214494 0.187381 0.022497 0.658693 0.023169 0Rh 5dx2y2 0.112192 0.175751 0.096791 0.235299 0.235350 -0.166097 0Rh 5dxy 0.078415 -0.014890 0.171695 0.077849 0.320713 -0.040560 0Rh 1f0 -0.020937 -0.022464 -0.068207 0.057003 -0.034128 -0.014638 0Rh 1f+1 -0.015721 0.006422 -0.022605 -0.025334 -0.000297 0.005333 0Rh 1f-1 -0.016109 0.005654 -0.093703 -0.078719 -0.027073 -0.008679 0Rh 1f+2 -0.043312 -0.003291 -0.053863 0.065235 -0.017609 0.019099 0Rh 1f-2 -0.047545 0.018127 -0.102514 0.005126 -0.088880 -0.001780 0Rh 1f+3 0.021748 0.014150 0.038017 -0.083915 0.049951 0.017533 0Rh 1f-3 -0.014006 0.013626 -0.023338 -0.004345 0.010701 0.004413 1Rh 1s 0.000113 0.000912 -0.000070 0.001459 -0.000299 -0.000704 1Rh 2s -0.004035 -0.004580 -0.002473 -0.020155 0.004328 0.012233 1Rh 3s -0.001787 0.002612 -0.001920 -0.003621 0.000861 0.003270 1Rh 4s 0.021033 0.024024 0.012888 0.104959 -0.022469 -0.063724 1Rh 5s -0.053319 -0.038788 -0.036924 -0.235548 0.049677 0.148613 1Rh 6s 0.083999 0.001077 0.070954 0.266681 -0.048407 -0.188840 1Rh 7s -0.295036 -0.043828 -0.235149 -0.633996 -0.023853 0.652410 1Rh 8s 0.008699 0.110587 -0.047322 0.026590 0.103237 -0.174584 1Rh 1pz 0.002770 -0.011269 0.000845 -0.010873 0.000285 -0.001284 1Rh 1px 0.001165 -0.001794 0.003337 -0.004568 -0.001328 0.000570 1Rh 1py -0.005089 0.001568 -0.013744 -0.000417 0.012336 -0.001828 1Rh 2pz -0.010314 0.041336 -0.003139 0.039841 -0.001579 0.004984 1Rh 2px -0.003888 0.007203 -0.012076 0.017843 0.004942 -0.003205 1Rh 2py 0.018805 -0.005910 0.050713 0.001805 -0.045179 0.006527 1Rh 3pz 0.016793 -0.053479 0.004635 -0.052471 0.013071 -0.012425 1Rh 3px -0.002624 -0.022261 0.012638 -0.046242 -0.007941 0.027100 1Rh 3py -0.028202 0.011008 -0.074411 -0.007508 0.057408 -0.004698 1Rh 4pz 0.005685 -0.088144 0.005946 -0.067019 -0.042355 0.016162 1Rh 4px 0.037715 0.039095 0.034480 0.062229 -0.003323 -0.087073 1Rh 4py -0.017348 -0.001893 -0.052007 0.013712 0.096097 -0.029454 1Rh 5pz -0.015257 0.223092 -0.022402 0.110101 0.074563 -0.030406 1Rh 5px -0.062871 -0.067831 -0.061085 -0.105733 0.009098 0.148700 1Rh 5py 0.030205 -0.004956 0.075717 -0.006856 -0.216914 0.061102 1Rh 6pz -0.114998 -0.549696 -0.072431 0.162284 0.039000 -0.002001 1Rh 6px 0.042445 0.313672 -0.016302 0.148829 0.078103 -0.196151 1Rh 6py -0.023825 0.157903 0.147114 0.259627 0.141555 -0.000051 1Rh 1dz2 0.000091 0.001571 0.005952 -0.015252 0.010709 0.005732 1Rh 1dxz -0.003164 0.012848 -0.003769 -0.000653 0.002568 0.004521 1Rh 1dyz -0.014104 0.006851 0.015621 0.005637 -0.020473 0.004107 1Rh 1dx2y2 0.007329 -0.008598 0.006675 0.017868 -0.009445 -0.008194 1Rh 1dxy 0.000907 -0.001117 0.022566 0.001642 -0.007311 0.001283 1Rh 2dz2 -0.000386 -0.002501 0.000094 0.000259 0.004569 -0.000549 1Rh 2dxz 0.000303 -0.001309 0.000387 0.001466 -0.001671 -0.000501 1Rh 2dyz -0.002674 -0.002767 -0.000850 0.001250 0.008576 -0.000372 1Rh 2dx2y2 -0.000424 0.002056 -0.000645 -0.000915 0.003120 0.000803 1Rh 2dxy -0.000871 -0.000087 0.000489 -0.000796 0.004260 0.000404 1Rh 3dz2 0.001360 0.006870 -0.018028 0.043857 -0.052869 -0.014366 1Rh 3dxz 0.007766 -0.031924 0.009317 -0.004907 0.000071 -0.010928 1Rh 3dyz 0.053952 -0.007441 -0.042213 -0.022454 0.020967 -0.010397 1Rh 3dx2y2 -0.019538 0.015981 -0.016724 -0.048345 0.013633 0.020401 1Rh 3dxy 0.001448 0.003757 -0.068879 -0.001195 0.001905 -0.005733 1Rh 4dz2 -0.004269 -0.038706 0.003864 -0.002286 0.079292 -0.007421 1Rh 4dxz 0.005891 -0.016235 0.004937 0.023120 -0.025431 -0.008099 1Rh 4dyz -0.051290 -0.041731 -0.007464 0.022517 0.130225 -0.005155 1Rh 4dx2y2 -0.004453 0.027938 -0.007320 -0.009680 0.044954 0.011192 1Rh 4dxy -0.015616 -0.002720 0.015995 -0.011389 0.067193 0.007482 1Rh 5dz2 0.005329 0.132792 0.054443 -0.143135 -0.173271 0.097522 1Rh 5dxz -0.076375 0.198400 -0.066477 -0.088761 0.118713 0.087541 1Rh 5dyz 0.088559 0.206164 0.212212 -0.025137 -0.653183 0.070436 1Rh 5dx2y2 0.101115 -0.166009 0.103095 0.232573 -0.251523 -0.140044 1Rh 5dxy 0.086671 0.011619 0.186187 0.056901 -0.319497 -0.011421 1Rh 1f0 0.017607 -0.024805 0.067973 -0.057524 -0.026995 0.013730 1Rh 1f+1 0.015585 0.005659 0.022413 0.023900 -0.000984 -0.002183 1Rh 1f-1 0.010371 0.000056 0.093456 0.075365 -0.027970 0.013473 1Rh 1f+2 0.042575 -0.000561 0.054251 -0.063755 -0.011250 -0.028669 1Rh 1f-2 0.039503 0.014534 0.104403 -0.010716 -0.083411 0.002464 1Rh 1f+3 -0.016981 0.015917 -0.038644 0.084800 0.041882 -0.014596 1Rh 1f-3 0.009962 0.013576 0.022104 0.004425 0.011159 -0.008278 2C 1s -0.007345 0.004713 0.006214 0.005997 -0.001579 -0.003523 2C 2s -0.024112 0.013085 0.025300 0.024155 -0.003581 -0.012134 2C 3s 0.266192 0.094248 -0.848151 -0.792541 -0.205388 0.310093 2C 4s -0.919034 -0.973660 4.202297 3.734597 1.365940 -1.368737 2C 5s -1.760502 0.986226 0.910876 0.593272 0.473970 -0.738936 2C 1pz 0.106960 0.031267 -0.292618 -0.280235 -0.085390 0.116091 2C 1px 0.029260 -0.057291 -0.007546 -0.013496 0.033915 0.031719 2C 1py 0.077993 -0.008792 -0.179345 -0.168961 -0.042220 0.088108 2C 2pz -1.338917 -0.315130 3.079099 2.917674 0.906942 -1.075537 2C 2px -0.433680 0.389455 0.438396 0.347982 -0.042126 -0.361116 2C 2py -0.807467 -0.194826 2.104491 1.735352 0.632483 -0.975768 2C 3pz -0.421324 0.160800 0.385237 0.231530 0.213762 -0.246994 2C 3px -0.097398 0.149655 0.037322 0.073932 -0.064285 -0.055223 2C 3py -0.173120 -0.100981 0.295853 0.258415 0.037256 0.090365 2C 1dz2 0.080774 -0.068382 -0.015351 -0.038514 0.007455 0.037844 2C 1dxz 0.007259 0.065297 -0.093985 -0.062628 -0.039531 0.008725 2C 1dyz 0.071646 0.005503 -0.121386 -0.088128 -0.006459 0.023619 2C 1dx2y2 -0.019516 -0.024774 0.026615 0.044472 0.022567 0.005877 2C 1dxy 0.029215 -0.005414 -0.030762 -0.038324 0.002504 -0.011857 2C 2dz2 -0.350662 -0.098958 0.750950 0.701769 0.292295 -0.301182 2C 2dxz -0.134380 -0.042178 0.380704 0.262478 0.122061 -0.195558 2C 2dyz -0.506179 0.013687 1.021257 0.909765 0.233607 -0.451269 2C 2dx2y2 0.097820 0.337451 -0.516011 -0.501148 -0.232823 -0.010561 2C 2dxy -0.126590 0.063911 0.102368 0.225781 -0.071773 0.046074 2C 1f0 0.050694 -0.104698 0.094167 0.065573 0.012875 0.047806 2C 1f+1 0.005909 0.018799 -0.005732 -0.017903 -0.000375 0.026003 2C 1f-1 0.004343 -0.021545 0.051185 0.052080 0.026806 -0.030572 2C 1f+2 0.039158 -0.027733 -0.037559 -0.044291 -0.040859 0.077260 2C 1f-2 0.021687 -0.015443 -0.024420 -0.002268 0.012252 0.005821 2C 1f+3 -0.004910 0.005683 -0.032395 -0.017507 -0.002436 -0.001152 2C 1f-3 -0.004899 -0.012920 0.031159 0.019436 0.002796 0.008909 3C 1s 0.015331 -0.000726 -0.001709 0.002523 0.007433 -0.005601 3C 2s 0.054169 -0.003043 -0.008266 0.013035 0.023963 -0.018759 3C 3s -0.885301 0.171219 0.468259 -0.614634 -0.271406 0.461522 3C 4s 3.492720 -1.022742 -2.593052 3.006715 0.723959 -2.088309 3C 5s 2.098741 -0.946794 -0.840448 -0.390609 0.557691 -1.627315 3C 1pz -0.196988 0.048053 0.116922 -0.122746 -0.038445 0.108450 3C 1px -0.158786 0.014010 -0.006073 -0.032476 -0.129488 0.077822 3C 1py 0.321250 -0.072177 -0.151105 0.210959 0.101250 -0.172117 3C 2pz 1.558311 -0.721501 -1.231528 1.338446 0.064432 -1.152868 3C 2px 1.779663 -0.277173 -0.175840 0.577884 0.957084 -0.859380 3C 2py -3.870470 0.906686 1.722296 -2.072169 -0.909908 1.696103 3C 3pz 0.316232 -0.098053 -0.200237 0.161131 -0.150010 -0.038531 3C 3px 0.147807 -0.080055 -0.172788 0.055536 0.039498 -0.087672 3C 3py -0.518278 0.227384 0.310769 0.014973 -0.129035 0.435846 3C 1dz2 0.113233 0.042275 0.015158 -0.009164 0.073370 0.001133 3C 1dxz -0.031547 0.023505 0.057091 -0.042104 0.043611 0.003338 3C 1dyz 0.216890 -0.005721 0.005450 0.040574 0.075308 -0.024152 3C 1dx2y2 0.115943 -0.010846 -0.005086 0.001086 0.046544 -0.056179 3C 1dxy 0.059665 -0.074562 -0.106610 0.124900 -0.087504 -0.015237 3C 2dz2 -0.398854 -0.005923 0.002876 -0.078375 -0.253517 0.073925 3C 2dxz 0.306625 -0.216704 -0.501641 0.440933 -0.224689 -0.105925 3C 2dyz -1.428757 0.198364 0.348327 -0.610562 -0.404579 0.470276 3C 2dx2y2 -0.655221 0.333419 0.559350 -0.525825 0.056032 0.494466 3C 2dxy -0.717045 0.244049 0.237988 -0.348312 -0.302452 0.443580 3C 1f0 0.036271 0.030503 0.020788 -0.033729 0.047688 0.015765 3C 1f+1 0.025288 0.003582 -0.043923 0.020392 -0.018365 -0.001080 3C 1f-1 -0.092361 0.012398 -0.012516 0.044055 -0.100344 0.072680 3C 1f+2 -0.015203 0.043332 0.050996 -0.070554 -0.004618 0.052651 3C 1f-2 -0.037594 0.011635 -0.000868 0.021610 -0.046191 0.063310 3C 1f+3 0.019068 0.029223 0.029050 -0.026453 0.017988 0.006601 3C 1f-3 0.023162 0.028538 0.080975 -0.084280 0.061805 -0.020816 4C 1s 0.005378 -0.004594 -0.009494 -0.006440 0.001291 0.001568 4C 2s 0.017350 -0.013615 -0.036498 -0.028495 0.002158 0.009752 4C 3s -0.438267 0.188601 0.951932 0.940257 0.148655 -0.395023 4C 4s 1.994575 -0.508581 -4.280098 -4.226317 -0.926662 1.713980 4C 5s 0.654200 -0.744152 -0.107709 -0.470783 -0.074502 0.552709 4C 1pz 0.039602 0.108437 -0.237684 -0.190671 -0.105372 0.059963 4C 1px 0.020456 0.030652 -0.015327 -0.033483 0.029208 -0.003118 4C 1py 0.041253 0.056544 -0.135852 -0.128843 -0.058316 0.045182 4C 2pz -0.874496 -0.622512 2.860929 2.463975 0.943927 -1.026257 4C 2px -0.248158 -0.342991 0.510808 0.535991 0.149599 -0.114246 4C 2py -0.636696 -0.436209 1.842659 1.657259 0.634846 -0.700406 4C 3pz -0.741131 0.077049 0.847615 0.310862 0.097902 0.358305 4C 3px 0.028100 -0.528852 0.585169 0.135417 0.229855 0.275007 4C 3py -0.749146 0.350588 0.689172 0.059355 0.426346 -0.485840 4C 1dz2 -0.018374 0.012384 -0.028869 0.014437 0.010852 -0.029438 4C 1dxz -0.026345 0.070144 -0.001250 0.000939 -0.038315 -0.067394 4C 1dyz 0.021410 -0.010797 0.031665 0.006117 0.054238 -0.018175 4C 1dx2y2 -0.048979 0.047584 -0.047864 -0.037326 0.032266 -0.034638 4C 1dxy 0.020776 -0.085906 0.043945 0.067673 -0.001866 0.029439 4C 2dz2 0.342723 0.070369 -0.704961 -0.582552 -0.225525 0.355431 4C 2dxz 0.115509 0.353934 -0.773208 -0.498851 -0.396963 0.204035 4C 2dyz 0.445366 0.047154 -1.104395 -0.970362 -0.390410 0.470447 4C 2dx2y2 -0.135691 -0.349312 0.644733 0.434078 0.235381 0.017406 4C 2dxy -0.040365 0.339369 -0.401836 -0.504769 -0.171569 -0.023186 4C 1f0 0.033527 -0.085944 0.077463 0.052746 0.021479 0.036549 4C 1f+1 -0.055938 0.052724 -0.013035 0.041627 0.038038 -0.091002 4C 1f-1 -0.043765 -0.003943 0.052627 0.067562 -0.006976 -0.000073 4C 1f+2 0.072144 -0.076600 -0.026610 -0.043407 -0.044690 0.104624 4C 1f-2 0.040682 -0.026434 -0.014399 -0.020342 -0.064994 0.098012 4C 1f+3 -0.050093 0.065147 0.024803 -0.004400 0.053923 -0.090085 4C 1f-3 0.049289 -0.110334 0.071807 0.085103 0.008748 0.056255 5C 1s -0.012377 -0.001511 0.004250 -0.004938 -0.007666 0.002261 5C 2s -0.045692 -0.003377 0.015788 -0.022359 -0.027981 0.013191 5C 3s 1.281037 -0.118396 -0.407613 0.705215 0.560789 -0.539436 5C 4s -5.723288 0.863913 1.949930 -3.086966 -2.039661 2.411488 5C 5s -0.809629 0.211126 0.093185 0.030649 -0.400347 0.857299 5C 1pz -0.120252 0.045183 0.081584 -0.097526 0.003462 0.061534 5C 1px -0.071160 0.055276 0.040238 -0.025905 -0.023779 0.039055 5C 1py 0.185974 -0.085197 -0.149252 0.166577 -0.032581 -0.089253 5C 2pz 1.674527 -0.485384 -0.932936 1.120191 0.336587 -0.912972 5C 2px 1.050748 -0.618421 -0.695837 0.727483 0.124978 -0.656488 5C 2py -2.835079 0.915702 1.675294 -1.960760 -0.435945 1.510549 5C 3pz 0.411140 -0.439400 -0.561082 -0.473673 0.377681 -0.884105 5C 3px 0.120092 -0.408894 -0.749567 0.297559 -0.462712 -0.180839 5C 3py -0.754010 0.164131 1.021149 0.166197 0.202621 0.158730 5C 1dz2 -0.027311 0.050523 0.034221 -0.013795 0.006615 0.027444 5C 1dxz -0.059619 -0.052140 -0.096945 0.101548 -0.088783 0.027197 5C 1dyz 0.091811 0.028433 0.055600 -0.017056 0.089494 0.009640 5C 1dx2y2 -0.044427 -0.022449 -0.039454 0.026205 -0.086492 0.057703 5C 1dxy -0.026613 -0.017460 -0.039782 0.033919 -0.096359 0.055952 5C 2dz2 0.148867 -0.084635 -0.215868 0.330590 -0.115942 -0.131835 5C 2dxz -0.189650 0.315074 0.821114 -0.610445 0.516202 0.077800 5C 2dyz 1.155934 -0.278432 -0.349724 0.551645 0.468973 -0.580204 5C 2dx2y2 0.900516 -0.344913 -0.491892 0.335179 0.314331 -0.612858 5C 2dxy 0.595783 -0.236387 -0.646728 0.553286 -0.150446 -0.395996 5C 1f0 -0.021854 0.040414 0.018702 -0.035178 0.017844 0.018742 5C 1f+1 0.028289 0.060576 -0.036370 0.097791 -0.083334 0.062564 5C 1f-1 -0.047953 0.071469 0.025080 0.040159 -0.079219 0.122135 5C 1f+2 -0.073824 -0.064197 0.029047 -0.069568 0.070527 -0.092592 5C 1f-2 -0.118065 0.013262 -0.050923 0.010142 -0.106926 0.079942 5C 1f+3 0.099147 -0.013670 0.007832 0.000338 0.022831 -0.042183 5C 1f-3 -0.018687 0.122750 0.063192 -0.098551 0.024040 0.102032 6C 1s -0.011564 0.001425 0.004176 -0.004609 0.007998 0.003057 6C 2s -0.042246 0.002993 0.015580 -0.021267 0.029674 0.016446 6C 3s 1.185165 0.124686 -0.405224 0.684663 -0.621444 -0.619297 6C 4s -5.303740 -0.888123 1.944795 -3.022968 2.315204 2.754293 6C 5s -0.906423 -0.159473 0.058548 0.074021 0.430782 0.817516 6C 1pz 0.105157 0.046219 -0.083494 0.100327 -0.006129 -0.072850 6C 1px 0.062629 0.056724 -0.040639 0.025386 -0.026845 -0.042379 6C 1py -0.161808 -0.088202 0.153372 -0.172731 -0.015912 0.109332 6C 2pz -1.498194 -0.491325 0.944919 -1.127452 0.451938 1.033058 6C 2px -0.966716 -0.631746 0.702089 -0.733368 0.201612 0.750421 6C 2py 2.541214 0.932009 -1.699803 1.979868 -0.637334 -1.726425 6C 3pz -0.473995 -0.385479 0.531504 0.516900 0.402184 0.808817 6C 3px -0.167114 -0.389956 0.755649 -0.307101 -0.418666 0.206845 6C 3py 0.762786 0.126400 -1.026640 -0.176970 0.191575 -0.096343 6C 1dz2 -0.022932 -0.050854 0.034581 -0.012280 -0.004577 0.033834 6C 1dxz -0.055890 0.054885 -0.099828 0.103053 0.078392 0.015870 6C 1dyz 0.084023 -0.028250 0.058409 -0.021159 -0.085137 0.008885 6C 1dx2y2 -0.039840 0.021862 -0.042219 0.028356 0.084167 0.058196 6C 1dxy -0.021401 0.019915 -0.042312 0.037219 0.095488 0.050950 6C 2dz2 0.131666 0.090521 -0.221849 0.333280 0.082313 -0.175147 6C 2dxz -0.163508 -0.325561 0.841202 -0.639392 -0.448345 0.163887 6C 2dyz 1.061489 0.280048 -0.345621 0.539146 -0.520804 -0.631338 6C 2dx2y2 0.810189 0.342082 -0.490966 0.332768 -0.360109 -0.649908 6C 2dxy 0.526127 0.236696 -0.664621 0.571530 0.085423 -0.470689 6C 1f0 0.032629 0.038200 -0.016577 0.035328 0.014278 -0.021506 6C 1f+1 -0.008778 0.056583 0.042584 -0.103835 -0.079010 -0.053265 6C 1f-1 0.052435 0.066655 -0.020239 -0.046542 -0.083930 -0.121400 6C 1f+2 0.058806 -0.059138 -0.034459 0.073477 0.069822 0.086959 6C 1f-2 0.114750 0.009976 0.055350 -0.015616 -0.106105 -0.071343 6C 1f+3 -0.092763 -0.013286 -0.007039 0.001356 0.023144 0.040045 6C 1f-3 0.030241 0.120536 -0.061545 0.097646 0.011199 -0.110616 7C 1s 0.005802 0.004157 -0.009536 -0.006934 -0.001007 0.002423 7C 2s 0.018551 0.011956 -0.036862 -0.030189 -0.000773 0.013012 7C 3s -0.450877 -0.139592 0.972472 0.965395 -0.198419 -0.465055 7C 4s 2.001656 0.293997 -4.387266 -4.308275 1.141558 1.983575 7C 5s 0.713469 0.701437 -0.090708 -0.478518 0.119483 0.539370 7C 1pz -0.026579 0.111735 0.247480 0.186973 -0.111695 -0.065333 7C 1px -0.016327 0.032357 0.015082 0.034173 0.027748 -0.000669 7C 1py -0.032503 0.060043 0.142571 0.127929 -0.064553 -0.051316 7C 2pz 0.753321 -0.702071 -2.959312 -2.458886 1.051970 1.132737 7C 2px 0.217673 -0.358246 -0.522168 -0.521875 0.166470 0.149930 7C 2py 0.557554 -0.492518 -1.919085 -1.660886 0.715383 0.784964 7C 3pz 0.791487 0.038189 -0.844050 -0.293165 0.085310 -0.391085 7C 3px -0.011906 -0.511835 -0.590506 -0.102765 0.199517 -0.282845 7C 3py 0.735960 0.348154 -0.700179 -0.018982 0.445924 0.470477 7C 1dz2 -0.013616 -0.011675 -0.028834 0.013977 -0.014957 -0.027124 7C 1dxz -0.021112 -0.065517 -0.000374 0.008275 0.032452 -0.072340 7C 1dyz 0.018152 0.010539 0.033672 0.004042 -0.053808 -0.015751 7C 1dx2y2 -0.047199 -0.044128 -0.045197 -0.037382 -0.036604 -0.031056 7C 1dxy 0.019432 0.080356 0.041711 0.063512 0.002813 0.026742 7C 2dz2 0.306412 -0.097301 -0.721786 -0.583210 0.254382 0.384235 7C 2dxz 0.093351 -0.345503 -0.802671 -0.472846 0.415672 0.208921 7C 2dyz 0.414464 -0.096287 -1.148972 -0.981723 0.441679 0.520502 7C 2dx2y2 -0.107923 0.347785 0.666917 0.421881 -0.239279 0.010341 7C 2dxy -0.028942 -0.322780 -0.406389 -0.481055 0.181730 -0.012450 7C 1f0 -0.030607 -0.082059 -0.077179 -0.048262 0.018603 -0.036631 7C 1f+1 0.047562 0.049321 0.009791 -0.039440 0.046423 0.092139 7C 1f-1 0.043835 -0.007722 -0.053715 -0.067802 -0.004601 0.000746 7C 1f+2 -0.065484 -0.072944 0.027931 0.041522 -0.052128 -0.106248 7C 1f-2 -0.030553 -0.033195 0.016665 0.013352 -0.071727 -0.101621 7C 1f+3 0.039889 0.067652 -0.025750 0.010371 0.057391 0.087494 7C 1f-3 -0.038387 -0.112829 -0.073462 -0.086087 0.007446 -0.053013 8C 1s 0.014484 0.000609 -0.001499 0.002135 -0.007780 -0.005511 8C 2s 0.050795 0.002822 -0.007714 0.011890 -0.025421 -0.019125 8C 3s -0.795531 -0.178819 0.474271 -0.611354 0.331354 0.530846 8C 4s 3.083121 1.067354 -2.642877 3.028736 -1.021595 -2.464329 8C 5s 2.198470 0.825847 -0.779926 -0.468547 -0.603858 -1.470468 8C 1pz 0.177192 0.048325 -0.118092 0.122356 -0.052416 -0.122126 8C 1px 0.146015 0.012863 0.009113 0.026862 -0.132234 -0.078921 8C 1py -0.294390 -0.073249 0.152105 -0.209162 0.121450 0.194970 8C 2pz -1.446549 -0.725193 1.246684 -1.347041 0.218163 1.289850 8C 2px -1.635012 -0.267064 0.161038 -0.547116 1.011233 0.888856 8C 2py 3.535548 0.917039 -1.731801 2.061438 -1.112166 -1.920108 8C 3pz -0.305194 -0.093518 0.207540 -0.167680 -0.140763 0.042005 8C 3px -0.147663 -0.075330 0.170172 -0.046207 0.052839 0.083767 8C 3py 0.529415 0.203517 -0.299961 -0.030072 -0.150724 -0.417730 8C 1dz2 0.100214 -0.042523 0.017066 -0.011456 -0.071271 -0.001699 8C 1dxz -0.032230 -0.023927 0.057715 -0.044032 -0.038434 0.007337 8C 1dyz 0.202929 0.005556 0.006806 0.038348 -0.075320 -0.025380 8C 1dx2y2 0.109642 0.008994 -0.003957 -0.001105 -0.047995 -0.050857 8C 1dxy 0.060307 0.075134 -0.109277 0.127332 0.075310 -0.029957 8C 2dz2 -0.369935 0.006070 -0.008069 -0.066631 0.260110 0.087219 8C 2dxz 0.285812 0.224313 -0.508121 0.452450 0.177361 -0.160917 8C 2dyz -1.303017 -0.201515 0.347925 -0.603278 0.454545 0.530374 8C 2dx2y2 -0.614151 -0.332294 0.569498 -0.535285 0.006791 0.547026 8C 2dxy -0.664706 -0.241094 0.236384 -0.337131 0.339052 0.467488 8C 1f0 -0.031372 0.031278 -0.021834 0.034921 0.043209 -0.017920 8C 1f+1 -0.018508 0.003111 0.044957 -0.021248 -0.015985 0.006325 8C 1f-1 0.083346 0.009772 0.016520 -0.049850 -0.100210 -0.070440 8C 1f+2 0.009220 0.043338 -0.051716 0.070680 -0.012615 -0.060284 8C 1f-2 0.033760 0.011076 0.001817 -0.022643 -0.046086 -0.063810 8C 1f+3 -0.017263 0.029351 -0.029158 0.025712 0.013871 -0.010199 8C 1f-3 -0.020709 0.030399 -0.083450 0.087471 0.053750 0.011562 9C 1s -0.007190 -0.004066 0.006248 0.006389 0.001195 -0.003949 9C 2s -0.023556 -0.010927 0.025595 0.025424 0.002169 -0.013863 9C 3s 0.256373 -0.122254 -0.872533 -0.801300 0.243719 0.361407 9C 4s -0.857168 1.068107 4.338003 3.740052 -1.533518 -1.590718 9C 5s -1.745980 -0.880952 0.916717 0.556865 -0.520478 -0.662833 9C 1pz -0.102144 0.041558 0.301301 0.280926 -0.099325 -0.131457 9C 1px -0.028267 -0.051939 0.006684 0.019049 0.031639 -0.037443 9C 1py -0.074367 -0.000373 0.185363 0.172666 -0.051187 -0.100266 9C 2pz 1.244064 -0.436928 -3.170651 -2.922597 1.041560 1.206157 9C 2px 0.395140 0.322626 -0.451219 -0.391462 -0.012666 0.399413 9C 2py 0.755761 -0.259170 -2.181283 -1.750550 0.720438 1.073191 9C 3pz 0.415205 0.138912 -0.394724 -0.218780 0.232629 0.240388 9C 3px 0.102992 0.149834 -0.029444 -0.079582 -0.056158 0.064255 9C 3py 0.185675 -0.111722 -0.297896 -0.252983 0.036964 -0.094406 9C 1dz2 0.076860 0.058889 -0.017087 -0.042759 -0.001824 0.038625 9C 1dxz 0.007594 -0.060441 -0.094107 -0.056988 0.039532 0.010818 9C 1dyz 0.066792 -0.010424 -0.124437 -0.088717 0.008929 0.028916 9C 1dx2y2 -0.017390 0.024715 0.027856 0.041984 -0.023292 0.009182 9C 1dxy 0.030067 0.002917 -0.031838 -0.039566 -0.000501 -0.008491 9C 2dz2 -0.323022 0.124246 0.773204 0.692308 -0.325852 -0.323323 9C 2dxz -0.124109 0.044674 0.387002 0.257923 -0.134564 -0.211092 9C 2dyz -0.468069 0.041661 1.060317 0.927371 -0.282754 -0.502736 9C 2dx2y2 0.093973 -0.331753 -0.529991 -0.483721 0.241270 -0.006902 9C 2dxy -0.121037 -0.052206 0.096220 0.232798 0.065769 0.029338 9C 1f0 -0.046027 -0.098899 -0.094106 -0.061717 0.008891 -0.046157 9C 1f+1 -0.004198 0.016784 0.004603 0.016927 -0.001751 -0.028617 9C 1f-1 -0.006962 -0.023232 -0.053462 -0.051839 0.028884 0.031389 9C 1f+2 -0.032538 -0.025765 0.040562 0.044625 -0.048101 -0.080680 9C 1f-2 -0.020128 -0.016387 0.024177 0.003911 0.010563 -0.009619 9C 1f+3 0.004088 0.007854 0.033881 0.019686 -0.002637 -0.001401 9C 1f-3 0.006178 -0.012511 -0.030704 -0.019330 0.002494 -0.008168 10H 1s -0.034390 -0.091601 0.158865 0.125557 0.106109 -0.021303 10H 2s -0.117267 -0.117932 0.129382 0.183972 0.002537 0.071366 10H 3s 0.141298 -0.156616 0.025938 -0.029802 0.044010 0.079550 10H 1pz 0.042806 -0.068099 -0.087565 -0.045852 0.003979 0.092989 10H 1px 0.140262 -0.073722 -0.097939 -0.107976 0.027011 0.054077 10H 1py 0.036670 -0.026476 -0.070388 -0.067070 0.014810 0.032311 11H 1s -0.029162 0.013284 0.021039 0.058299 -0.007332 -0.038211 11H 2s -0.351866 0.305817 0.029304 0.117593 -0.179352 0.124155 11H 3s 0.178931 -0.106616 -0.021622 -0.055750 -0.014205 0.031443 11H 1pz -0.057095 0.074757 -0.101627 -0.061293 -0.052090 0.050653 11H 1px -0.131888 0.175988 -0.062160 -0.014554 -0.077440 -0.023374 11H 1py 0.126553 0.042836 -0.234221 -0.208837 -0.057969 0.037973 12H 1s -0.053049 0.071955 0.027696 0.018932 -0.004173 -0.069898 12H 2s -0.193055 0.144622 0.189059 -0.059068 -0.006350 -0.250174 12H 3s 0.209253 -0.223410 0.023952 0.042134 -0.075927 0.229840 12H 1pz 0.159803 -0.032198 -0.178556 -0.187909 -0.075600 0.114949 12H 1px -0.030317 0.091832 -0.052319 -0.063154 -0.063199 -0.026624 12H 1py -0.069436 0.038321 0.063829 -0.033662 0.007015 -0.073965 13H 1s 0.048583 -0.069704 -0.159445 0.105404 -0.090951 -0.053530 13H 2s -0.056469 -0.183798 -0.292111 0.140555 -0.343769 -0.009820 13H 3s -0.120074 0.137936 0.032988 0.038942 -0.068861 0.168343 13H 1pz -0.033481 -0.031173 -0.044315 -0.037352 -0.085758 -0.006930 13H 1px -0.234930 0.074453 0.054569 -0.073762 -0.091786 0.091916 13H 1py 0.262776 -0.016801 0.017671 0.040680 0.208998 -0.112870 14H 1s 0.135041 -0.031529 0.026097 -0.020717 0.114908 -0.084471 14H 2s 0.298540 -0.078320 0.112454 0.028086 0.155774 -0.237398 14H 3s -0.247045 0.060903 -0.099882 0.143835 -0.195496 0.264050 14H 1pz -0.005484 -0.056117 -0.026336 0.019973 -0.042684 -0.041027 14H 1px 0.141615 -0.017177 0.095521 -0.026509 0.104990 -0.077563 14H 1py 0.331928 -0.059649 -0.100996 0.100161 0.079117 -0.142374 15H 1s 0.089722 -0.022110 0.024723 0.046593 0.068123 -0.051119 15H 2s 1.067623 0.174365 0.135830 -0.072915 0.451656 0.141672 15H 3s -0.382921 0.072319 -0.030104 0.019649 -0.107296 0.098110 15H 1pz -0.460311 0.045066 0.055346 -0.098644 -0.119023 0.088377 15H 1px 0.058427 0.079795 0.166366 -0.169184 0.161834 0.015739 15H 1py -0.191018 -0.049461 -0.086405 0.107744 -0.112802 -0.056308 16H 1s 0.005033 0.018106 -0.008673 -0.024720 -0.018240 0.010533 16H 2s 0.051856 0.096787 0.122211 0.472223 0.257653 -0.258997 16H 3s 0.021453 0.038630 0.037846 0.034745 0.056147 0.007463 16H 1pz 0.033597 0.063661 0.063823 0.224354 0.115146 -0.119215 16H 1px -0.003404 -0.026674 -0.012228 -0.020430 -0.030772 0.004240 16H 1py -0.005399 -0.017285 0.005996 0.052280 0.028649 -0.030049 17H 1s -0.002828 0.000640 -0.003812 -0.028382 -0.022561 0.007662 17H 2s 0.143167 0.321164 0.194906 0.381315 0.278025 -0.205210 17H 3s 0.003518 -0.012071 0.026981 -0.000110 -0.042346 0.011271 17H 1pz -0.046066 -0.107086 -0.059620 -0.117050 -0.058746 0.080236 17H 1px -0.055280 -0.132770 -0.075098 -0.122571 -0.102865 0.063844 17H 1py 0.025772 0.053932 0.037013 0.060534 0.057416 -0.032180 18H 1s -0.004405 -0.001588 -0.004076 -0.027886 0.024051 0.007627 18H 2s 0.146105 -0.300947 0.197321 0.380747 -0.300810 -0.175293 18H 3s 0.002495 0.017236 0.024162 0.004189 0.042227 0.011255 18H 1pz 0.046365 -0.103045 0.060938 0.119401 -0.067615 -0.071967 18H 1px 0.052688 -0.124015 0.075241 0.123613 -0.110540 -0.052065 18H 1py -0.027374 0.046944 -0.035943 -0.054934 0.059662 0.025397 19H 1s 0.001764 -0.018912 -0.009093 -0.023373 0.019071 0.008242 19H 2s 0.080646 -0.076848 0.132917 0.468087 -0.289084 -0.223461 19H 3s 0.018690 -0.036768 0.038860 0.033561 -0.055959 0.012839 19H 1pz -0.045592 0.053618 -0.068468 -0.222380 0.128331 0.102463 19H 1px 0.004299 -0.024689 0.013037 0.021678 -0.032650 -0.000121 19H 1py -0.004966 -0.018325 -0.009954 -0.055623 0.036780 0.030517 20H 1s 0.085961 0.022313 0.026503 0.044257 -0.070256 -0.055477 20H 2s 0.969629 -0.174709 0.148439 -0.089674 -0.425709 0.153419 20H 3s -0.371893 -0.061508 -0.037054 0.027092 0.103294 0.081477 20H 1pz 0.424069 0.043888 -0.053813 0.095542 -0.125664 -0.092081 20H 1px -0.056318 0.082919 -0.172003 0.177204 0.145795 -0.035493 20H 1py 0.173786 -0.051179 0.091672 -0.113323 -0.098993 0.067776 21H 1s 0.124526 0.027817 0.029648 -0.026458 -0.114924 -0.079910 21H 2s 0.307697 0.067213 0.117457 0.019477 -0.162847 -0.204521 21H 3s -0.262522 -0.044249 -0.112382 0.155348 0.192780 0.231706 21H 1pz -0.003529 -0.053493 0.026164 -0.020674 -0.036872 0.035461 21H 1px -0.145298 -0.011423 -0.100856 0.033030 0.102653 0.060301 21H 1py -0.308248 -0.059054 0.099511 -0.099086 0.091786 0.155420 22H 1s 0.044681 0.070270 -0.162851 0.111149 0.077390 -0.068030 22H 2s -0.013395 0.185795 -0.295374 0.147210 0.319661 -0.021379 22H 3s -0.146003 -0.125691 0.021980 0.052393 0.076367 0.151533 22H 1pz 0.021293 -0.028661 0.043993 0.036985 -0.083836 0.000004 22H 1px 0.231336 0.073001 -0.049747 0.067343 -0.100854 -0.095293 22H 1py -0.230819 -0.013990 -0.022127 -0.032109 0.212574 0.114314 23H 1s -0.046849 -0.064147 0.029438 0.024147 0.000279 -0.075702 23H 2s -0.181454 -0.134885 0.195666 -0.051051 0.003131 -0.250432 23H 3s 0.194490 0.206271 0.018002 0.042247 0.086519 0.215736 23H 1pz -0.148113 -0.019970 0.187345 0.189085 -0.088496 -0.121740 23H 1px 0.027834 0.086093 0.056698 0.057514 -0.064515 0.023649 23H 1py 0.063906 0.036464 -0.064347 0.033957 0.005243 0.071061 24H 1s -0.025914 -0.008631 0.022490 0.060624 0.002909 -0.040929 24H 2s -0.330142 -0.256298 0.028770 0.146178 0.171729 0.119539 24H 3s 0.165744 0.086271 -0.022512 -0.055338 0.016328 0.019639 24H 1pz 0.051478 0.067284 0.104194 0.056639 -0.052573 -0.055843 24H 1px 0.123873 0.157026 0.060574 0.000126 -0.072770 0.023346 24H 1py -0.115379 0.056271 0.241543 0.208207 -0.065188 -0.043044 25H 1s -0.030762 0.089735 0.164742 0.117428 -0.109243 -0.020863 25H 2s -0.119191 0.105869 0.122930 0.166888 -0.001172 0.078368 25H 3s 0.139239 0.151107 0.033847 -0.029608 -0.040586 0.074456 25H 1pz -0.035029 -0.057299 0.090778 0.055262 -0.001987 -0.105792 25H 1px -0.133587 -0.066037 0.096556 0.111083 0.021951 -0.058915 25H 1py -0.034010 -0.021451 0.073191 0.074061 0.010752 -0.040651 26O 1s -0.001093 -0.007897 0.003858 0.002567 0.001072 -0.000258 26O 2s -0.003765 -0.027639 0.013957 0.010251 0.004492 -0.000310 26O 3s 0.026154 0.201836 -0.115952 -0.107369 -0.056738 0.001933 26O 4s 0.017331 -0.483467 0.237408 0.249894 0.274248 0.080946 26O 5s 0.165207 1.239180 -0.856487 -0.067998 -0.806359 -0.407667 26O 1pz -0.021156 -0.076614 0.142522 0.098465 0.182702 -0.063434 26O 1px -0.036956 0.111838 -0.036479 -0.045203 0.022894 -0.079074 26O 1py 0.122305 -0.128516 -0.046161 -0.030792 -0.104710 0.198618 26O 2pz 0.008560 0.061332 -0.133425 -0.102171 -0.215459 0.095506 26O 2px 0.011885 -0.156125 0.038119 -0.037918 -0.066360 0.149984 26O 2py -0.186948 0.097826 0.111949 0.068886 0.159731 -0.253364 26O 3pz 0.011128 -0.027520 0.189172 0.172053 0.087601 -0.382308 26O 3px -0.043119 -0.264040 0.064621 -0.007166 0.157145 -0.212281 26O 3py 0.278095 -0.509899 0.147693 0.153887 -0.173332 0.368322 26O 1dz2 0.002265 0.000241 -0.002592 -0.001816 -0.001011 -0.005974 26O 1dxz 0.001742 0.000503 -0.001948 -0.001436 -0.000462 -0.002434 26O 1dyz 0.002420 0.002018 -0.004017 -0.002946 -0.003118 0.000596 26O 1dx2y2 -0.004112 -0.002073 0.003318 0.003334 0.001089 -0.003794 26O 1dxy 0.000364 -0.001400 -0.002703 -0.001044 -0.003790 -0.000450 26O 2dz2 0.016724 -0.021367 0.013915 0.045706 -0.050183 -0.037305 26O 2dxz 0.050777 0.080381 -0.165822 -0.067632 -0.146749 0.048117 26O 2dyz -0.002707 0.120978 -0.055871 0.007257 -0.121370 -0.048900 26O 2dx2y2 0.008955 -0.120372 0.060190 0.079441 0.017189 0.085481 26O 2dxy -0.017244 0.134635 -0.080252 -0.058859 -0.058727 -0.094443 26O 1f0 0.004479 -0.009535 0.003393 0.001120 -0.000888 0.011135 26O 1f+1 0.001468 -0.005992 0.013114 0.012265 0.001641 0.000671 26O 1f-1 -0.000423 -0.000783 0.004056 0.001816 0.005138 0.001517 26O 1f+2 0.003641 0.003681 -0.003875 -0.006299 -0.000742 -0.000347 26O 1f-2 -0.003050 0.004165 0.004192 0.002503 0.002392 -0.008222 26O 1f+3 0.009281 -0.011978 0.005925 0.007907 -0.004257 0.009257 26O 1f-3 -0.010567 0.012783 -0.002017 0.002975 0.003653 -0.014155 27O 1s -0.001463 -0.002602 -0.004639 0.004596 -0.008198 -0.000945 27O 2s -0.005973 -0.008772 -0.017960 0.017123 -0.030522 -0.002915 27O 3s 0.043475 0.061131 0.155540 -0.152003 0.257484 0.019220 27O 4s -0.297285 -0.093721 -0.456623 0.350707 -0.861882 0.093187 27O 5s 0.540615 0.637461 1.483288 -0.159183 1.655333 -0.049854 27O 1pz 0.005109 0.271369 0.002578 -0.026835 -0.126401 0.228471 27O 1px 0.050358 0.071874 0.104440 -0.075139 0.062036 0.050334 27O 1py 0.208482 0.259676 0.244080 -0.130415 0.174444 0.103943 27O 2pz -0.063071 -0.440913 -0.128463 0.096863 0.070752 -0.335224 27O 2px -0.089598 -0.164843 -0.201757 -0.009213 -0.036919 -0.088239 27O 2py -0.282724 -0.332027 -0.266702 0.195224 -0.215529 -0.125618 27O 3pz 0.135813 0.339536 0.068528 0.350071 -0.152355 0.484010 27O 3px 0.004280 -0.288601 -0.084394 0.244953 -0.229880 -0.052044 27O 3py 0.040665 0.483891 0.102177 -0.378499 -0.108793 0.362285 27O 1dz2 0.002491 0.007546 0.002720 0.001185 -0.002237 0.006092 27O 1dxz 0.001039 0.008281 0.007098 -0.001713 0.003152 0.003426 27O 1dyz -0.004020 -0.002378 -0.009199 0.001932 -0.007272 -0.002514 27O 1dx2y2 0.005803 -0.000621 -0.002216 -0.003342 0.000724 0.003813 27O 1dxy 0.004089 0.002146 -0.003143 -0.000971 -0.003386 0.000575 27O 2dz2 -0.015179 0.004004 -0.006071 -0.000603 -0.056513 0.034399 27O 2dxz 0.017891 0.027725 0.199979 -0.094732 0.224169 -0.101960 27O 2dyz -0.121841 0.030379 -0.097912 -0.027759 -0.210878 0.084157 27O 2dx2y2 -0.017985 -0.009521 -0.014616 -0.061584 -0.042007 0.016060 27O 2dxy -0.027631 -0.113627 -0.200548 0.058140 -0.193318 -0.054122 27O 1f0 0.014589 -0.003160 0.010444 -0.007131 0.019840 -0.009673 27O 1f+1 0.006960 -0.007611 0.004919 -0.003684 0.012020 -0.012110 27O 1f-1 0.001593 0.002435 0.002879 0.001445 0.001124 0.001931 27O 1f+2 0.000750 -0.000189 -0.002070 0.008467 -0.005147 0.005594 27O 1f-2 -0.000852 0.006538 0.011503 -0.004045 0.002201 0.005203 27O 1f+3 0.007032 0.002297 -0.004953 0.007914 0.002204 -0.006602 27O 1f-3 -0.003077 -0.003531 0.006994 -0.011451 0.013085 -0.011744 28O 1s -0.000787 0.000624 -0.001054 0.002114 -0.002297 0.000799 28O 2s -0.003588 0.005215 -0.006730 0.004441 -0.010166 0.001764 28O 3s 0.043580 -0.095997 0.102435 0.008074 0.107344 0.005501 28O 4s -0.124414 0.571739 -0.639054 -0.424562 -0.478713 0.005796 28O 5s 0.203943 -0.382718 -0.004118 0.673157 0.322911 -0.187649 28O 1pz -0.115383 0.237841 -0.171385 -0.167245 0.083943 -0.169866 28O 1px -0.092672 0.242207 -0.157924 -0.150568 -0.044527 -0.135241 28O 1py 0.246999 -0.313071 0.019848 -0.024703 -0.154459 0.359737 28O 2pz 0.176334 -0.511870 0.397664 0.268798 -0.005154 0.292601 28O 2px 0.096066 -0.188707 0.053010 0.172733 -0.045922 0.164103 28O 2py -0.356765 0.451052 0.002506 -0.020040 0.268407 -0.553238 28O 3pz -0.127933 0.267827 -0.271091 0.008477 0.294236 -0.542188 28O 3px -0.139401 0.270802 -0.175233 -0.085768 0.005794 -0.184626 28O 3py 0.234341 -0.332599 -0.156988 0.145232 -0.156117 0.405698 28O 1dz2 -0.000023 0.007366 -0.002890 -0.003076 0.003040 -0.008451 28O 1dxz -0.000493 0.007696 -0.002265 -0.001155 -0.009199 -0.005319 28O 1dyz 0.005715 -0.006809 0.001883 0.006795 0.001161 0.006362 28O 1dx2y2 -0.002393 -0.002323 0.003412 -0.002920 0.011485 -0.004344 28O 1dxy -0.003753 0.004805 0.000120 0.000440 0.001891 -0.003927 28O 2dz2 0.072752 -0.065361 0.028782 0.045965 0.023775 0.008065 28O 2dxz -0.017833 0.033897 0.010379 -0.002782 -0.002405 -0.058281 28O 2dyz 0.013798 -0.096993 0.071035 0.173612 0.129135 -0.057484 28O 2dx2y2 -0.051423 0.064680 0.000102 -0.051502 0.033936 -0.058034 28O 2dxy -0.012441 0.005724 0.038902 0.012114 0.011123 0.025303 28O 1f0 -0.001351 0.000988 -0.002318 0.004967 -0.004670 0.002350 28O 1f+1 -0.000848 -0.000861 0.000361 0.000203 -0.001192 0.004519 28O 1f-1 0.002234 -0.002704 0.000171 -0.006040 -0.002379 0.003004 28O 1f+2 0.004379 -0.008188 0.002413 0.002906 0.001137 0.005852 28O 1f-2 -0.005330 0.003202 -0.010172 -0.003859 -0.004591 -0.001399 28O 1f+3 0.002313 -0.004657 0.001125 -0.002617 -0.000791 0.004084 28O 1f-3 -0.007239 -0.000112 0.008046 0.007673 0.009060 -0.009139 29O 1s 0.006835 0.007716 0.004935 0.012584 0.001380 -0.012440 29O 2s 0.022499 0.024897 0.015460 0.039440 0.002706 -0.040541 29O 3s -0.125879 -0.125877 -0.066682 -0.169977 0.033758 0.218181 29O 4s 0.133686 0.172808 0.023841 0.044816 -0.132047 -0.197874 29O 5s -0.200760 -0.659119 -0.245689 -0.558245 -0.374753 0.361018 29O 1pz -0.008210 -0.005112 0.012091 0.017947 0.078005 0.017365 29O 1px 0.000500 -0.130433 -0.043464 -0.004687 -0.072523 -0.054336 29O 1py -0.048281 -0.105350 -0.023710 -0.014258 0.006499 0.046465 29O 2pz -0.000824 -0.038247 -0.019792 0.062187 -0.092760 -0.075315 29O 2px -0.046198 0.092304 0.009457 -0.109980 0.030615 0.156035 29O 2py 0.117190 0.264433 0.101151 0.187673 0.095651 -0.164867 29O 3pz -0.022561 -0.040615 0.005598 0.108934 0.082502 -0.026135 29O 3px -0.007325 0.048742 -0.068955 -0.033956 -0.008249 -0.037758 29O 3py 0.020991 0.040578 0.086557 0.187912 0.116580 -0.053922 29O 1dz2 0.000195 0.003259 0.000749 0.005226 0.000616 -0.002815 29O 1dxz 0.002052 0.002792 0.001939 0.002842 0.002874 -0.003156 29O 1dyz -0.000134 -0.000746 -0.000179 0.001126 -0.002477 -0.000351 29O 1dx2y2 -0.002520 -0.004341 -0.001405 -0.004607 -0.001983 0.003917 29O 1dxy -0.001995 -0.001663 -0.002757 -0.003235 -0.003016 0.002206 29O 2dz2 -0.003438 0.021007 -0.013378 -0.052498 -0.047276 0.022844 29O 2dxz -0.010573 -0.038900 -0.024742 -0.029358 -0.024536 0.004931 29O 2dyz 0.009664 0.027508 0.009220 -0.041504 -0.018731 0.021930 29O 2dx2y2 -0.002765 -0.020569 0.008019 0.012341 -0.001567 0.003027 29O 2dxy 0.019866 0.054053 0.023040 0.058137 0.022540 -0.040647 29O 1f0 0.002876 0.004714 0.005310 0.012180 0.009213 -0.004840 29O 1f+1 -0.001321 -0.001790 -0.002367 -0.004453 -0.004609 0.002540 29O 1f-1 0.001473 0.000466 0.004769 0.014976 0.009343 -0.008158 29O 1f+2 0.000736 -0.000288 -0.000453 -0.002461 -0.001330 0.000149 29O 1f-2 0.003543 0.007479 0.003805 0.009317 0.003127 -0.005112 29O 1f+3 0.001627 0.001988 0.000963 0.002755 -0.000101 -0.002894 29O 1f-3 -0.000622 -0.004778 -0.000831 -0.002945 -0.001427 0.000688 30O 1s -0.003351 0.004445 -0.002080 -0.000829 0.000406 -0.000175 30O 2s -0.008237 0.015854 -0.002237 -0.005804 0.005803 -0.001208 30O 3s -0.005996 -0.115247 -0.066761 0.083539 -0.128219 0.026953 30O 4s 0.137520 0.304940 0.605196 -0.545137 0.758785 -0.036177 30O 5s 0.050991 -0.219696 0.231439 0.823915 -0.576643 -0.002167 30O 1pz -0.098751 0.177876 -0.088024 0.226013 -0.353793 0.346489 30O 1px -0.008037 0.109729 0.133738 -0.099948 0.074380 0.083724 30O 1py 0.015964 0.094497 -0.171127 0.304218 -0.219776 0.173973 30O 2pz 0.083877 -0.272157 0.035778 -0.322898 0.382416 -0.500040 30O 2px 0.125207 -0.127739 0.015144 0.055122 0.113092 -0.183589 30O 2py 0.032004 -0.075278 0.414487 -0.475662 0.512803 -0.291166 30O 3pz 0.140902 0.377390 0.153435 0.155621 -0.296347 0.407712 30O 3px 0.142563 0.095992 0.267791 -0.032384 0.084786 0.118880 30O 3py -0.145932 0.108452 -0.413114 0.241285 -0.244902 0.529026 30O 1dz2 -0.001876 0.003860 -0.003207 0.004153 -0.004204 0.009802 30O 1dxz 0.000307 0.000609 0.002749 -0.001309 0.010660 0.000360 30O 1dyz 0.008431 -0.001022 0.007174 -0.006918 0.010334 -0.005689 30O 1dx2y2 0.007360 -0.003116 -0.003510 0.002627 -0.006907 0.004435 30O 1dxy -0.000670 -0.003200 -0.001674 -0.003801 -0.006041 0.000863 30O 2dz2 -0.108113 -0.059260 -0.072858 0.010866 -0.043612 0.001970 30O 2dxz -0.008271 0.033068 0.001332 0.042147 -0.023820 0.060776 30O 2dyz 0.046476 0.037962 0.089419 -0.167165 0.181598 0.011005 30O 2dx2y2 0.100372 -0.048302 0.003371 -0.090690 0.118336 -0.024039 30O 2dxy -0.038582 0.020606 0.034755 -0.034956 -0.008946 0.090729 30O 1f0 0.004180 -0.003227 0.001719 0.006494 0.005706 -0.005972 30O 1f+1 0.006261 -0.014179 -0.008643 0.006102 0.000913 -0.011441 30O 1f-1 0.005807 0.000236 0.000099 -0.003792 0.001841 0.004008 30O 1f+2 0.004061 0.006310 -0.000327 0.001502 -0.001305 0.005480 30O 1f-2 -0.008490 0.001068 -0.010345 0.006877 -0.007599 0.002792 30O 1f+3 0.003612 0.002376 0.001593 -0.000399 -0.004131 0.005400 30O 1f-3 -0.012090 -0.008426 -0.000809 -0.000598 -0.007403 0.000386 31O 1s -0.003323 -0.004546 -0.002189 -0.000744 -0.000515 0.000513 31O 2s -0.008243 -0.016323 -0.002442 -0.005758 -0.005800 0.001610 31O 3s -0.004127 0.120282 -0.068627 0.088493 0.122326 -0.001428 31O 4s 0.137010 -0.324008 0.629918 -0.587181 -0.701530 0.083760 31O 5s 0.096464 0.259369 0.216731 0.855240 0.527182 -0.160538 31O 1pz 0.131962 0.159729 0.106439 -0.247000 -0.353688 -0.321156 31O 1px 0.016815 0.109984 -0.134288 0.101667 0.058060 -0.097089 31O 1py 0.015721 0.081089 0.184243 -0.318023 -0.201888 -0.141014 31O 2pz -0.131237 -0.243672 -0.057536 0.343735 0.386074 0.468871 31O 2px -0.137339 -0.125266 -0.022572 -0.044661 0.124409 0.181517 31O 2py -0.077415 -0.056082 -0.439803 0.506887 0.480201 0.229989 31O 3pz -0.049449 0.353413 -0.125893 -0.184029 -0.314290 -0.401594 31O 3px -0.143048 0.084785 -0.267804 0.031473 0.064682 -0.095105 31O 3py 0.148680 0.093392 0.426043 -0.249057 -0.241400 -0.493119 31O 1dz2 -0.002428 -0.003451 -0.003546 0.004328 0.004323 0.009520 31O 1dxz 0.000431 -0.000555 0.003031 -0.001974 -0.010493 0.000847 31O 1dyz 0.008385 0.000612 0.007640 -0.007507 -0.009795 -0.004615 31O 1dx2y2 0.006822 0.003241 -0.003779 0.003070 0.006994 0.004077 31O 1dxy -0.000030 0.002993 -0.001759 -0.003481 0.006328 0.000986 31O 2dz2 -0.090018 0.059556 -0.071250 0.009669 0.038377 0.000238 31O 2dxz -0.012223 -0.030368 -0.001717 0.044298 0.024414 0.059086 31O 2dyz 0.037105 -0.043007 0.095507 -0.176787 -0.165548 0.039468 31O 2dx2y2 0.096009 0.044736 0.008554 -0.096368 -0.110636 -0.009923 31O 2dxy -0.033404 -0.020249 0.035254 -0.034986 0.016593 0.095678 31O 1f0 -0.004658 -0.003148 -0.002069 -0.006243 0.006268 0.006295 31O 1f+1 -0.006848 -0.013852 0.008398 -0.005781 0.001999 0.012783 31O 1f-1 -0.004726 0.000036 0.000071 0.004179 0.001404 -0.004107 31O 1f+2 -0.002129 0.006182 0.000714 -0.001764 -0.001342 -0.005257 31O 1f-2 0.008833 0.000628 0.010685 -0.007566 -0.006825 -0.001667 31O 1f+3 -0.003361 0.002514 -0.001426 0.000099 -0.004485 -0.005450 31O 1f-3 0.009739 -0.008146 0.000574 0.000508 -0.007199 -0.000089 32O 1s 0.006442 -0.007176 0.004952 0.012799 -0.002507 -0.012086 32O 2s 0.020983 -0.023231 0.015465 0.040193 -0.006319 -0.039548 32O 3s -0.111896 0.119473 -0.065431 -0.175477 -0.015812 0.217387 32O 4s 0.101838 -0.172920 0.020198 0.055090 0.119727 -0.201918 32O 5s -0.191708 0.628883 -0.255523 -0.566025 0.413562 0.292960 32O 1pz 0.005813 -0.004717 -0.015345 -0.015406 0.076817 -0.024109 32O 1px -0.006780 -0.123320 0.042937 0.007987 -0.069166 0.067799 32O 1py 0.031297 -0.104598 0.021772 0.019036 0.006451 -0.042045 32O 2pz -0.006477 -0.044586 0.022548 -0.061116 -0.087542 0.078666 32O 2px 0.056922 0.087120 -0.007100 0.106301 0.016679 -0.167840 32O 2py -0.097318 0.252660 -0.100245 -0.195531 0.106596 0.145533 32O 3pz 0.016862 -0.042607 -0.007498 -0.099522 0.086213 0.017541 32O 3px 0.008328 0.056162 0.066307 0.037227 -0.007116 0.035442 32O 3py -0.027777 0.031202 -0.088670 -0.187701 0.127810 0.039358 32O 1dz2 0.000373 -0.003107 0.000783 0.005289 -0.001026 -0.002546 32O 1dxz 0.002034 -0.002582 0.002042 0.002882 -0.003111 -0.002903 32O 1dyz 0.000031 0.000772 -0.000184 0.001444 0.002380 -0.000650 32O 1dx2y2 -0.002577 0.004140 -0.001458 -0.004611 0.002329 0.003497 32O 1dxy -0.001496 0.001487 -0.002712 -0.003152 0.003162 0.001895 32O 2dz2 -0.011414 -0.022638 -0.016680 -0.049458 0.051863 0.019117 32O 2dxz -0.010804 0.038287 -0.024580 -0.029071 0.026452 0.002281 32O 2dyz 0.004051 -0.028155 0.006402 -0.041400 0.023373 0.019481 32O 2dx2y2 -0.004718 0.023150 0.006832 0.013435 0.001935 0.002303 32O 2dxy 0.023800 -0.049912 0.023078 0.058358 -0.025769 -0.037087 32O 1f0 -0.003218 0.004045 -0.005211 -0.011133 0.009282 0.003380 32O 1f+1 0.001653 -0.001814 0.002740 0.004987 -0.005229 -0.002342 32O 1f-1 -0.002761 0.000115 -0.005391 -0.015182 0.010678 0.007315 32O 1f+2 -0.000267 -0.000346 0.000742 0.003184 -0.001945 -0.000268 32O 1f-2 -0.003312 0.006845 -0.003538 -0.009122 0.003529 0.004773 32O 1f+3 -0.001622 0.002208 -0.001126 -0.003141 0.000310 0.002699 32O 1f-3 0.000877 -0.004455 0.000740 0.002874 -0.001513 -0.000413 33O 1s -0.000845 -0.000786 -0.001233 0.002181 0.002104 0.001149 33O 2s -0.003744 -0.005484 -0.007450 0.004921 0.009514 0.002918 33O 3s 0.044810 0.092514 0.109342 0.000552 -0.102396 -0.001165 33O 4s -0.132743 -0.544909 -0.668900 -0.384288 0.478820 0.016183 33O 5s 0.162919 0.384217 0.003662 0.643877 -0.353171 -0.234798 33O 1pz 0.097956 0.236124 0.166317 0.172282 0.092743 0.164309 33O 1px 0.079390 0.235816 0.158493 0.142967 -0.038204 0.135223 33O 1py -0.212733 -0.309901 -0.009192 0.018420 -0.180600 -0.366135 33O 2pz -0.159389 -0.499130 -0.396363 -0.264104 -0.023589 -0.293310 33O 2px -0.071682 -0.191827 -0.046161 -0.172470 -0.051251 -0.158214 33O 2py 0.305900 0.445362 -0.021162 0.030084 0.303969 0.557998 33O 3pz 0.068385 0.250554 0.245787 0.009245 0.333798 0.517716 33O 3px 0.144232 0.264253 0.180694 0.079514 0.014521 0.203722 33O 3py -0.203712 -0.358667 0.156444 -0.161313 -0.166380 -0.415688 33O 1dz2 0.000184 -0.007680 -0.002754 -0.003174 -0.003455 -0.008493 33O 1dxz -0.000316 -0.007385 -0.002592 -0.000243 0.008872 -0.005999 33O 1dyz 0.005040 0.006394 0.001842 0.006596 -0.001033 0.006252 33O 1dx2y2 -0.002210 0.002164 0.003872 -0.003647 -0.011407 -0.003597 33O 1dxy -0.003040 -0.004657 0.000339 0.000489 -0.002194 -0.003992 33O 2dz2 0.063245 0.064294 0.030454 0.043780 -0.024004 0.006970 33O 2dxz -0.012856 -0.032206 0.011940 -0.000737 -0.001272 -0.058413 33O 2dyz 0.012053 0.091092 0.075516 0.160590 -0.137650 -0.059039 33O 2dx2y2 -0.048947 -0.060343 0.001833 -0.049228 -0.034363 -0.057088 33O 2dxy -0.012397 0.002332 0.042770 0.016810 -0.010145 0.026649 33O 1f0 0.001794 0.000268 0.002383 -0.005700 -0.004357 -0.001737 33O 1f+1 0.001993 -0.001703 -0.000531 -0.000693 -0.001353 -0.004260 33O 1f-1 -0.001961 -0.002562 0.000084 0.006061 -0.002923 -0.003359 33O 1f+2 -0.004496 -0.007636 -0.002691 -0.002746 0.001008 -0.005843 33O 1f-2 0.004906 0.003250 0.010582 0.004063 -0.004361 0.001444 33O 1f+3 -0.001877 -0.004779 -0.001219 0.002441 -0.001144 -0.003965 33O 1f-3 0.006087 0.000322 -0.008387 -0.006851 0.009729 0.009343 34O 1s -0.000981 0.002497 -0.004877 0.004874 0.007781 -0.001830 34O 2s -0.004182 0.008445 -0.018815 0.018168 0.028888 -0.006049 34O 3s 0.030010 -0.059137 0.162675 -0.160742 -0.242033 0.044115 34O 4s -0.251302 0.090481 -0.480455 0.380391 0.819920 0.027594 34O 5s 0.472716 -0.624808 1.527413 -0.231752 -1.592345 0.041581 34O 1pz 0.043091 0.258099 0.013290 0.013967 -0.138644 -0.223575 34O 1px -0.036378 0.071535 -0.103969 0.077152 0.050960 -0.063216 34O 1py -0.163266 0.254386 -0.241279 0.132789 0.148648 -0.121426 34O 2pz -0.009367 -0.423751 0.109043 -0.082345 0.098096 0.335854 34O 2px 0.072088 -0.163977 0.198473 0.005923 -0.027787 0.095408 34O 2py 0.217242 -0.324998 0.261621 -0.195209 -0.181468 0.152074 34O 3pz -0.055756 0.313638 -0.048571 -0.368241 -0.157414 -0.455447 34O 3px 0.017272 -0.293419 0.093672 -0.254943 -0.212247 0.061780 34O 3py -0.018751 0.480100 -0.089813 0.364145 -0.152103 -0.383446 34O 1dz2 0.002636 -0.007481 0.002692 0.001551 0.002552 0.005921 34O 1dxz 0.000299 -0.008106 0.006929 -0.001712 -0.002575 0.003641 34O 1dyz -0.003160 0.002354 -0.009267 0.002187 0.006600 -0.002490 34O 1dx2y2 0.004685 0.000538 -0.002265 -0.003323 -0.000402 0.004449 34O 1dxy 0.003448 -0.002099 -0.003304 -0.000722 0.003404 0.000684 34O 2dz2 -0.007919 -0.005052 -0.007163 0.003136 0.057665 0.032138 34O 2dxz 0.023545 -0.033193 0.208136 -0.106398 -0.215051 -0.080575 34O 2dyz -0.110840 -0.028814 -0.103802 -0.017480 0.210321 0.078265 34O 2dx2y2 -0.011542 0.006282 -0.014907 -0.059665 0.045318 0.019798 34O 2dxy -0.022507 0.111259 -0.205715 0.066886 0.180021 -0.071269 34O 1f0 -0.013567 -0.002710 -0.011134 0.007916 0.019178 0.009162 34O 1f+1 -0.008028 -0.007084 -0.005478 0.004540 0.012087 0.011694 34O 1f-1 -0.000931 0.002369 -0.002804 -0.001609 0.000940 -0.001629 34O 1f+2 0.000474 -0.000591 0.002546 -0.008538 -0.004724 -0.004260 34O 1f-2 0.000578 0.006667 -0.011713 0.004107 0.001334 -0.005862 34O 1f+3 -0.006219 0.002356 0.004914 -0.007909 0.003186 0.007352 34O 1f-3 0.001754 -0.003089 -0.007667 0.011979 0.012639 0.010948 35O 1s -0.000857 0.007651 0.003982 0.002111 -0.001071 -0.000409 35O 2s -0.003050 0.026686 0.014397 0.008547 -0.004513 -0.000707 35O 3s 0.024058 -0.194060 -0.119769 -0.092578 0.058255 0.003357 35O 4s -0.001831 0.452972 0.246908 0.199683 -0.275114 0.092001 35O 5s 0.136713 -1.172891 -0.890036 0.047558 0.765606 -0.458824 35O 1pz 0.011181 -0.055704 -0.143654 -0.075265 0.185719 0.059587 35O 1px 0.029669 0.112194 0.038897 0.048156 0.024624 0.077574 35O 1py -0.095302 -0.138501 0.043844 0.014211 -0.111936 -0.199328 35O 2pz 0.001707 0.033720 0.131569 0.072733 -0.218984 -0.093351 35O 2px -0.015895 -0.158451 -0.041961 0.029133 -0.074859 -0.150853 35O 2py 0.141982 0.117337 -0.109206 -0.041397 0.168021 0.252907 35O 3pz -0.053466 -0.010838 -0.191914 -0.161305 0.106353 0.408827 35O 3px -0.008087 -0.251072 -0.071847 0.037609 0.161075 0.217093 35O 3py -0.263584 -0.518352 -0.148396 -0.167648 -0.194131 -0.356532 35O 1dz2 0.002339 -0.000592 -0.002748 -0.001900 0.000816 -0.006469 35O 1dxz 0.001659 -0.001031 -0.002157 -0.001636 0.000400 -0.002735 35O 1dyz 0.002303 -0.001590 -0.004156 -0.002481 0.003234 0.000045 35O 1dx2y2 -0.003163 0.001721 0.003396 0.002995 -0.001393 -0.003922 35O 1dxy 0.000199 0.001637 -0.002709 -0.000546 0.003619 -0.001021 35O 2dz2 0.017525 0.022551 0.011527 0.049893 0.047360 -0.046487 35O 2dxz 0.044861 -0.075731 -0.173474 -0.056015 0.148684 0.046551 35O 2dyz 0.000285 -0.109490 -0.059320 0.023067 0.117103 -0.061058 35O 2dx2y2 0.004419 0.116919 0.061097 0.075450 -0.015509 0.087091 35O 2dxy -0.014630 -0.129785 -0.082971 -0.050810 0.053974 -0.098225 35O 1f0 -0.003361 -0.009415 -0.003288 -0.001036 -0.001706 -0.011220 35O 1f+1 -0.000637 -0.006433 -0.013158 -0.012502 0.001709 0.000019 35O 1f-1 0.000759 -0.000348 -0.004160 -0.001238 0.005100 -0.002528 35O 1f+2 -0.003275 0.003526 0.004067 0.006049 -0.000981 -0.000002 35O 1f-2 0.002155 0.004122 -0.004588 -0.002649 0.003024 0.008361 35O 1f+3 -0.008150 -0.011475 -0.005578 -0.007813 -0.004870 -0.009053 35O 1f-3 0.009676 0.012357 0.001604 -0.002984 0.004930 0.014523 474 475 476 477 478 479 2.81052 2.82438 2.89505 2.91638 2.92737 2.92992 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s 0.000753 -0.000285 -0.000336 -0.005461 -0.000080 -0.000087 0Rh 2s -0.004741 0.002993 0.004160 0.045637 0.000127 0.000438 0Rh 3s 0.001578 0.000132 0.000539 -0.004627 -0.000399 -0.000248 0Rh 4s 0.024894 -0.015611 -0.021747 -0.239365 -0.000738 -0.002363 0Rh 5s -0.045783 0.032818 0.047845 0.476570 0.000370 0.004464 0Rh 6s 0.024614 -0.026561 -0.049297 -0.311434 0.002091 -0.002929 0Rh 7s -0.170765 -0.051615 0.088945 0.013847 0.028699 -0.039301 0Rh 8s 0.202666 0.058503 0.036436 -0.215860 -0.052443 -0.011571 0Rh 1pz -0.012211 -0.007631 0.003366 0.002435 0.000289 -0.002520 0Rh 1px -0.005768 -0.000003 0.001839 -0.004115 0.000773 0.000905 0Rh 1py 0.004975 -0.011948 -0.001885 0.000111 -0.001636 -0.002373 0Rh 2pz 0.043879 0.027730 -0.012612 -0.009258 -0.001279 0.008991 0Rh 2px 0.020339 -0.000102 -0.006711 0.015974 -0.002846 -0.003593 0Rh 2py -0.018026 0.042760 0.007032 -0.000308 0.006033 0.009213 0Rh 3pz -0.038674 -0.030652 0.021527 0.018826 0.006429 -0.006424 0Rh 3px -0.009620 0.002504 0.007775 -0.037819 0.003957 0.010092 0Rh 3py 0.018867 -0.033872 -0.011698 -0.001764 -0.008655 -0.023100 0Rh 4pz -0.159835 -0.077542 0.005233 -0.010570 -0.018726 -0.038755 0Rh 4px -0.110005 -0.009825 0.018010 0.031810 0.004221 -0.014034 0Rh 4py 0.054859 -0.172395 -0.001875 0.010045 -0.006732 0.032438 0Rh 5pz 0.311155 0.167525 -0.019280 0.014098 0.038799 0.076228 0Rh 5px 0.222253 0.019260 -0.039074 -0.010532 -0.009141 0.015335 0Rh 5py -0.117825 0.339577 0.000243 -0.016086 0.011627 -0.068156 0Rh 6pz 0.013859 -0.232584 -0.284971 0.217757 -0.080236 -0.218855 0Rh 6px -0.461723 -0.080141 -0.043253 -0.151292 0.036233 0.111440 0Rh 6py 0.207343 -0.171107 0.065556 -0.238459 -0.067054 0.118222 0Rh 1dz2 -0.005706 0.001445 0.026114 -0.002448 0.024128 -0.009898 0Rh 1dxz 0.025589 0.009992 0.014393 0.000304 0.014513 0.007270 0Rh 1dyz -0.003084 0.008794 0.005123 0.000881 -0.008229 0.005379 0Rh 1dx2y2 0.005773 -0.013832 0.016765 0.001285 0.021362 -0.004577 0Rh 1dxy -0.004197 0.025883 0.004811 0.005391 0.005109 -0.008162 0Rh 2dz2 0.000729 -0.003063 0.002758 -0.000525 0.002010 -0.000704 0Rh 2dxz 0.000690 -0.000054 0.001276 0.000347 0.002364 0.000440 0Rh 2dyz 0.003782 -0.006250 -0.000988 0.000099 -0.001726 0.000984 0Rh 2dx2y2 0.002945 -0.001271 0.002453 0.000206 0.001914 -0.000069 0Rh 2dxy 0.002543 -0.000440 0.000114 0.000458 -0.000788 -0.002284 0Rh 3dz2 0.013594 0.009989 -0.091602 0.010007 -0.082701 0.033408 0Rh 3dxz -0.079525 -0.029744 -0.049507 -0.002162 -0.055045 -0.024292 0Rh 3dyz -0.008421 0.002848 -0.010738 -0.003013 0.033116 -0.020891 0Rh 3dx2y2 -0.030750 0.047157 -0.061982 -0.005216 -0.073763 0.014298 0Rh 3dxy 0.000873 -0.075298 -0.015071 -0.018626 -0.012038 0.035209 0Rh 4dz2 0.008626 -0.050530 0.060320 -0.011901 0.048862 -0.018558 0Rh 4dxz 0.027208 0.007062 0.031192 0.000860 0.047314 0.014169 0Rh 4dyz 0.061020 -0.098756 -0.016353 0.000398 -0.034744 0.019579 0Rh 4dx2y2 0.050137 -0.028959 0.049521 0.008702 0.045183 -0.004780 0Rh 4dxy 0.036753 0.008300 0.004313 0.012577 -0.007515 -0.040226 0Rh 5dz2 -0.091734 0.196188 0.081587 0.025710 0.116245 -0.050903 0Rh 5dxz 0.132015 0.071519 0.036980 0.024644 0.001101 0.030376 0Rh 5dyz -0.237053 0.437397 0.183893 0.023328 0.027938 -0.021260 0Rh 5dx2y2 -0.095731 -0.035301 0.017836 -0.038439 0.078642 -0.052050 0Rh 5dxy -0.149420 0.225007 0.059206 0.015166 0.085438 0.056290 0Rh 1f0 -0.033364 0.057447 0.021361 0.003619 0.021568 0.027447 0Rh 1f+1 0.044994 0.013432 -0.016243 -0.001497 0.001025 0.013784 0Rh 1f-1 0.050337 0.129740 0.003745 -0.009749 0.010107 0.052572 0Rh 1f+2 -0.131279 -0.025834 0.022915 0.022596 0.024248 -0.015655 0Rh 1f-2 -0.035066 0.049247 0.006450 -0.001983 0.013998 0.030790 0Rh 1f+3 0.068058 -0.028449 -0.000480 -0.001176 -0.015340 -0.005896 0Rh 1f-3 -0.030490 0.058729 0.016744 -0.003383 0.015936 0.003224 1Rh 1s -0.000710 0.000251 -0.000327 -0.005472 0.000055 0.000105 1Rh 2s 0.003767 -0.002732 0.004087 0.045732 0.000046 -0.000643 1Rh 3s -0.001912 -0.000176 0.000549 -0.004637 0.000357 0.000233 1Rh 4s -0.019822 0.014249 -0.021363 -0.239860 -0.000170 0.003434 1Rh 5s 0.033573 -0.030256 0.047075 0.477556 0.001341 -0.006744 1Rh 6s -0.007853 0.025470 -0.048755 -0.312031 -0.002872 0.004926 1Rh 7s 0.113111 0.050985 0.089961 0.009653 -0.030230 0.035989 1Rh 8s -0.192172 -0.062740 0.034866 -0.214646 0.052285 0.015081 1Rh 1pz -0.012308 -0.007662 -0.003413 -0.002297 0.000236 -0.002562 1Rh 1px -0.005802 0.000091 -0.001784 0.004077 0.000811 0.000914 1Rh 1py 0.005123 -0.012063 0.001700 0.000061 -0.001769 -0.002509 1Rh 2pz 0.044212 0.027845 0.012776 0.008774 -0.001086 0.009144 1Rh 2px 0.020552 -0.000459 0.006507 -0.015821 -0.002992 -0.003618 1Rh 2py -0.018555 0.043180 -0.006377 -0.000325 0.006531 0.009727 1Rh 3pz -0.038657 -0.030874 -0.021537 -0.018610 0.006177 -0.006609 1Rh 3px -0.011721 0.003210 -0.007478 0.037322 0.004228 0.010001 1Rh 3py 0.019235 -0.034409 0.011359 0.002679 -0.009517 -0.024060 1Rh 4pz -0.162354 -0.077338 -0.006382 0.013213 -0.019170 -0.039106 1Rh 4px -0.102902 -0.010025 -0.017695 -0.030945 0.004202 -0.013466 1Rh 4py 0.057190 -0.173202 -0.001513 -0.009306 -0.006896 0.032533 1Rh 5pz 0.315798 0.166725 0.021427 -0.019301 0.039994 0.076867 1Rh 5px 0.209715 0.018939 0.038078 0.009439 -0.009325 0.014363 1Rh 5py -0.122268 0.341019 0.006303 0.014666 0.012334 -0.067989 1Rh 6pz 0.020834 -0.236069 0.281178 -0.206377 -0.085323 -0.215332 1Rh 6px -0.444896 -0.080002 0.048752 0.146072 0.034266 0.107286 1Rh 6py 0.212089 -0.168605 -0.074871 0.242991 -0.058165 0.143582 1Rh 1dz2 0.005020 -0.001894 0.026399 -0.002453 -0.023945 0.010131 1Rh 1dxz -0.026101 -0.010158 0.014040 0.001150 -0.014718 -0.007230 1Rh 1dyz 0.003094 -0.009009 0.005190 0.000945 0.008557 -0.004885 1Rh 1dx2y2 -0.004807 0.013757 0.017224 0.001290 -0.021395 0.004670 1Rh 1dxy 0.004240 -0.025917 0.004123 0.005589 -0.004856 0.008651 1Rh 2dz2 -0.000695 0.003037 0.002767 -0.000529 -0.001992 0.000726 1Rh 2dxz -0.000635 0.000049 0.001258 0.000422 -0.002383 -0.000425 1Rh 2dyz -0.003751 0.006280 -0.001038 0.000128 0.001759 -0.000967 1Rh 2dx2y2 -0.003031 0.001262 0.002489 0.000244 -0.001935 0.000057 1Rh 2dxy -0.002587 0.000458 0.000022 0.000443 0.000781 0.002294 1Rh 3dz2 -0.011718 -0.008529 -0.092506 0.010039 0.082061 -0.034213 1Rh 3dxz 0.080779 0.030269 -0.048349 -0.005086 0.055758 0.024098 1Rh 3dyz 0.008245 -0.002355 -0.010713 -0.003339 -0.034256 0.019321 1Rh 3dx2y2 0.028291 -0.046893 -0.063536 -0.005402 0.073956 -0.014525 1Rh 3dxy -0.000794 0.075318 -0.012561 -0.019162 0.011293 -0.036742 1Rh 4dz2 -0.008351 0.049850 0.060679 -0.011977 -0.048507 0.018996 1Rh 4dxz -0.026436 -0.007318 0.030630 0.002744 -0.047772 -0.013891 1Rh 4dyz -0.060453 0.099216 -0.017078 0.000830 0.035351 -0.019146 1Rh 4dx2y2 -0.051216 0.028800 0.050413 0.009243 -0.045492 0.004652 1Rh 4dxy -0.037457 -0.008036 0.002332 0.012532 0.007640 0.040728 1Rh 5dz2 0.083057 -0.198280 0.083035 0.026156 -0.114296 0.053402 1Rh 5dxz -0.140799 -0.072084 0.034871 0.026948 -0.001740 -0.030727 1Rh 5dyz 0.234490 -0.442411 0.186820 0.022886 -0.024079 0.028411 1Rh 5dx2y2 0.110909 0.035140 0.019707 -0.040240 -0.078212 0.053472 1Rh 5dxy 0.152331 -0.226375 0.058963 0.018106 -0.082681 -0.051519 1Rh 1f0 -0.035313 0.057979 -0.020644 -0.005081 0.021591 0.027172 1Rh 1f+1 0.045668 0.013371 0.016457 0.000730 0.001165 0.014331 1Rh 1f-1 0.050143 0.131336 -0.002304 0.007209 0.010361 0.052701 1Rh 1f+2 -0.130627 -0.026115 -0.023140 -0.021795 0.024262 -0.016182 1Rh 1f-2 -0.035734 0.049694 -0.005259 0.000792 0.014991 0.031880 1Rh 1f+3 0.070592 -0.028348 -0.000271 0.001519 -0.015647 -0.006090 1Rh 1f-3 -0.030106 0.059232 -0.016050 0.002909 0.015869 0.003198 2C 1s 0.005817 0.002555 0.002329 -0.002312 -0.001380 0.001157 2C 2s 0.023009 0.016591 0.007587 -0.005255 -0.002424 0.005578 2C 3s -0.765253 -1.055183 -0.176712 0.080995 -0.179538 -0.223169 2C 4s 3.538527 5.308019 0.930104 -0.292442 1.052033 1.239748 2C 5s 0.082398 -1.434402 0.473142 -1.327610 -0.124279 -1.045998 2C 1pz -0.255308 -0.362490 -0.016512 -0.005677 -0.063388 -0.036688 2C 1px -0.072318 -0.046538 0.014276 -0.027319 0.000693 -0.006967 2C 1py -0.181761 -0.218074 -0.072425 0.026850 -0.029723 -0.068740 2C 2pz 2.376944 3.344103 0.405036 -0.212543 0.267379 0.519230 2C 2px 0.647625 0.524129 -0.017727 0.067385 0.039724 0.016187 2C 2py 1.638749 1.972357 0.797562 -0.627062 0.748112 0.992049 2C 3pz 0.146909 -0.114232 0.176864 -0.299194 0.101296 -0.218958 2C 3px 0.093862 -0.063299 0.060179 0.011374 -0.063084 -0.064881 2C 3py 0.016857 -0.048592 0.042776 -0.283948 -0.059682 -0.091247 2C 1dz2 -0.022198 -0.000863 -0.016450 0.026118 -0.039944 0.040133 2C 1dxz -0.030030 -0.063319 -0.044481 0.024257 -0.003356 -0.063338 2C 1dyz -0.058135 -0.082783 0.017159 -0.026133 0.023468 -0.043352 2C 1dx2y2 -0.020661 -0.028917 0.013270 -0.085669 0.030361 -0.012661 2C 1dxy -0.023992 -0.090178 0.094050 -0.130323 0.016664 0.102521 2C 2dz2 0.509734 0.751931 0.121397 -0.122030 0.137099 0.121968 2C 2dxz 0.306699 0.240119 0.401470 -0.285228 0.257668 0.440672 2C 2dyz 0.826483 1.005370 0.214420 -0.207995 0.176456 0.340335 2C 2dx2y2 -0.168275 -0.464487 -0.022527 0.055623 0.011110 0.013386 2C 2dxy 0.166115 0.329719 -0.446323 0.421520 -0.324774 -0.482966 2C 1f0 0.003270 0.053611 0.073951 -0.077528 0.062852 0.100922 2C 1f+1 -0.036582 -0.018471 0.074335 -0.067120 0.098545 0.062293 2C 1f-1 0.049219 0.045744 0.047815 -0.101655 0.060040 0.036706 2C 1f+2 -0.080786 -0.093632 0.079860 -0.103171 0.095641 0.058375 2C 1f-2 -0.009474 0.006328 0.018671 -0.044280 -0.023961 0.011841 2C 1f+3 -0.037732 -0.044725 -0.034808 -0.008505 -0.103084 -0.017307 2C 1f-3 0.004589 0.039247 -0.005731 0.055702 -0.044307 0.000623 3C 1s 0.003781 -0.003658 -0.002940 -0.002198 0.000145 -0.001329 3C 2s 0.019578 -0.015866 -0.010515 -0.005096 -0.000262 -0.001655 3C 3s -0.978416 0.687024 0.334949 0.116007 0.033804 -0.367902 3C 4s 4.821525 -3.357527 -1.717518 -0.514978 -0.307812 1.916199 3C 5s -1.323950 -0.120609 -0.444542 -1.432880 0.911198 0.712253 3C 1pz -0.184547 0.142600 0.099206 0.042238 -0.007506 -0.090080 3C 1px -0.091908 0.072984 0.046511 -0.009190 -0.022254 -0.031657 3C 1py 0.333990 -0.241633 -0.052548 0.003638 -0.014343 0.109510 3C 2pz 1.647471 -1.301250 -1.049029 -0.667885 -0.209610 0.937209 3C 2px 0.905627 -0.795129 -0.627389 -0.235106 -0.129705 0.552509 3C 2py -3.175220 2.272048 0.813984 0.320902 0.126300 -0.659789 3C 3pz -0.039943 -0.010419 -0.116754 -0.318395 0.124596 0.180523 3C 3px -0.015677 0.010240 0.005088 -0.133097 0.197977 0.033993 3C 3py 0.117295 0.158192 0.217059 0.314262 -0.155808 -0.318369 3C 1dz2 0.078412 -0.031906 0.076437 0.128002 -0.039563 -0.078044 3C 1dxz -0.022481 0.011027 -0.025089 0.043525 0.034221 -0.035516 3C 1dyz 0.056381 -0.022778 0.044081 0.046938 -0.003184 -0.033355 3C 1dx2y2 -0.032139 -0.006199 -0.079723 -0.106839 -0.016113 0.090973 3C 1dxy 0.112002 -0.050767 -0.033258 0.028457 0.041541 -0.029946 3C 2dz2 -0.307709 0.160339 -0.306831 -0.260457 -0.015695 0.233217 3C 2dxz 0.528782 -0.288696 0.098011 -0.031977 -0.011563 -0.064199 3C 2dyz -0.934831 0.626132 0.076622 0.012808 0.027943 -0.094966 3C 2dx2y2 -0.592770 0.534835 0.583417 0.415139 0.141886 -0.468636 3C 2dxy -0.439466 0.385780 0.477061 0.246121 0.024574 -0.318271 3C 1f0 0.002076 0.001699 0.014578 0.085426 -0.037741 0.019094 3C 1f+1 0.058847 -0.029580 0.039687 0.078867 0.037378 -0.080195 3C 1f-1 -0.030714 0.034214 -0.113643 -0.095508 0.005379 0.086903 3C 1f+2 -0.092484 0.068641 0.034870 0.034301 0.030754 -0.096030 3C 1f-2 -0.037819 0.054724 -0.041373 -0.022848 -0.055564 0.071373 3C 1f+3 -0.025268 0.002647 -0.090901 -0.079151 -0.061751 0.054444 3C 1f-3 -0.059044 0.013239 0.058722 0.026936 0.045788 -0.039840 4C 1s -0.009627 -0.014773 0.000666 -0.008455 -0.001459 -0.002255 4C 2s -0.039247 -0.058694 0.001417 -0.025395 -0.006472 -0.009480 4C 3s 1.009325 1.313406 0.037224 -0.195602 0.183420 0.021190 4C 4s -4.151834 -5.303239 -0.408337 1.428739 -0.814973 -0.129609 4C 5s -0.280490 0.257071 -0.134646 1.344978 -0.158721 0.750440 4C 1pz -0.122954 -0.244490 -0.074062 0.003457 -0.064397 -0.117663 4C 1px -0.030454 0.012033 -0.029559 0.025265 0.000569 -0.011209 4C 1py -0.107628 -0.142044 -0.027822 0.004569 -0.017977 -0.053579 4C 2pz 2.020418 3.089851 0.712873 0.035351 0.575797 1.248393 4C 2px 0.537298 0.636557 0.209136 0.006587 0.108540 0.175719 4C 2py 1.460347 2.075394 0.410298 0.056109 0.343885 0.747055 4C 3pz -0.222635 -0.859332 0.601991 -0.663227 -0.092537 -0.522595 4C 3px -0.087288 0.189161 -0.012067 -0.098502 0.101761 -0.074762 4C 3py 0.209694 -0.503336 0.369165 -0.146748 0.019878 -0.307599 4C 1dz2 0.014314 0.070503 -0.240422 0.200735 -0.281892 -0.192025 4C 1dxz 0.054322 0.048693 -0.065229 0.117317 0.118361 -0.012966 4C 1dyz 0.004844 -0.052713 0.238766 -0.305070 0.268618 0.132222 4C 1dx2y2 -0.017092 -0.053823 -0.110792 -0.008614 0.125072 -0.222299 4C 1dxy 0.028017 0.029734 -0.097222 0.011442 -0.374332 -0.064410 4C 2dz2 -0.638244 -0.752191 0.003101 -0.191364 0.145027 -0.051986 4C 2dxz -0.247851 -0.634347 -0.237209 -0.115785 -0.313429 -0.414192 4C 2dyz -0.918234 -1.128406 -0.498509 0.548693 -0.526826 -0.426639 4C 2dx2y2 0.200053 0.510920 0.198846 0.304881 -0.103121 0.365037 4C 2dxy -0.161757 -0.557296 0.369032 -0.065719 0.489124 0.314528 4C 1f0 -0.005561 0.041977 -0.030308 -0.083866 0.109594 -0.020488 4C 1f+1 0.059602 -0.008901 -0.035763 -0.143185 -0.069477 -0.042230 4C 1f-1 0.002314 0.017866 -0.012713 -0.029799 -0.065638 0.003436 4C 1f+2 -0.072557 -0.006703 0.013630 0.089061 -0.018245 0.067971 4C 1f-2 -0.085617 -0.079892 0.055873 -0.090577 0.079536 -0.001405 4C 1f+3 0.024706 0.019305 -0.058458 0.011964 0.104130 -0.022504 4C 1f-3 0.015903 0.067317 0.070663 -0.145449 0.048818 -0.023538 5C 1s -0.014340 0.007600 0.000470 -0.009048 0.001088 -0.001355 5C 2s -0.056384 0.031957 0.003501 -0.027184 0.003824 -0.007759 5C 3s 1.272589 -0.858568 -0.209909 -0.198338 0.125602 0.629023 5C 4s -5.172558 3.612842 1.119455 1.506206 -0.548435 -2.810652 5C 5s 0.167185 0.267647 0.116649 1.393840 -0.813548 -1.265560 5C 1pz -0.130055 0.115939 0.041828 0.003430 0.028317 -0.014496 5C 1px -0.044437 0.012798 0.030545 0.027432 0.017424 0.001083 5C 1py 0.208078 -0.139523 -0.114000 -0.022877 -0.053143 0.053753 5C 2pz 1.639892 -1.245804 -0.642550 -0.015520 -0.326823 0.273826 5C 2px 1.123285 -0.791801 -0.363098 -0.071055 -0.206442 0.120635 5C 2py -2.805788 2.010455 1.216156 0.099579 0.545034 -0.531538 5C 3pz -0.587708 -0.140836 -0.303608 -0.241718 0.267698 0.176976 5C 3px 0.033969 -0.167085 -0.292725 -0.031214 0.009720 0.196615 5C 3py 0.797319 -0.269485 0.625376 0.841174 -0.458921 -0.350270 5C 1dz2 -0.069749 0.011871 -0.291789 -0.098696 -0.235841 0.224709 5C 1dxz 0.083091 -0.003164 -0.033749 0.042712 0.208399 -0.246853 5C 1dyz 0.063665 0.016986 0.227948 0.287534 -0.034171 -0.180139 5C 1dx2y2 -0.073763 0.044959 -0.166666 -0.158189 0.057658 0.205202 5C 1dxy 0.005253 0.017704 0.095099 0.049380 0.229782 -0.209186 5C 2dz2 0.445891 -0.248423 0.379382 -0.008981 0.317786 -0.078427 5C 2dxz -0.713302 0.371812 0.055699 -0.229845 -0.059352 0.368517 5C 2dyz 0.862496 -0.698189 -0.459419 -0.525992 0.069842 0.564137 5C 2dx2y2 0.628640 -0.553565 -0.381664 0.119963 -0.226380 -0.037171 5C 2dxy 0.773080 -0.580554 -0.527725 -0.144543 -0.362238 0.537485 5C 1f0 -0.023234 0.004167 -0.044598 -0.045281 0.108963 -0.013958 5C 1f+1 0.053244 -0.015097 -0.090079 -0.110302 -0.040382 0.151493 5C 1f-1 -0.041891 0.077294 -0.029937 -0.066100 -0.055262 0.070862 5C 1f+2 -0.015514 -0.046393 0.043841 0.034271 -0.038730 0.056093 5C 1f-2 0.031902 0.019169 0.013004 0.130713 0.002201 -0.093109 5C 1f+3 -0.017066 -0.008649 -0.018920 -0.137705 0.111456 0.021163 5C 1f-3 -0.081051 0.080991 -0.050436 0.120500 -0.023931 -0.115510 6C 1s 0.014123 -0.007680 0.000321 -0.009074 -0.001214 0.001284 6C 2s 0.055200 -0.032227 0.002837 -0.027337 -0.004209 0.007538 6C 3s -1.228789 0.861220 -0.190640 -0.179147 -0.126124 -0.628191 6C 4s 4.982372 -3.621992 1.036876 1.423515 0.565366 2.820046 6C 5s -0.222693 -0.249037 0.104714 1.354447 0.828723 1.266661 6C 1pz -0.125335 0.116710 -0.039244 -0.003478 0.027488 -0.015748 6C 1px -0.041995 0.012449 -0.029001 -0.028110 0.016556 -0.000090 6C 1py 0.201415 -0.141126 0.110032 0.022062 -0.051247 0.056562 6C 2pz 1.568936 -1.255790 0.612651 0.012121 -0.317702 0.289142 6C 2px 1.075485 -0.791177 0.342838 0.077454 -0.201327 0.130798 6C 2py -2.690275 2.026895 -1.166060 -0.092699 0.527750 -0.559049 6C 3pz -0.647162 -0.145720 0.304472 0.230387 0.271591 0.183437 6C 3px 0.018260 -0.170974 0.294664 0.024325 0.010359 0.192310 6C 3py 0.785535 -0.266737 -0.628691 -0.813976 -0.477803 -0.376940 6C 1dz2 0.066034 -0.010048 -0.290424 -0.100238 0.232320 -0.238684 6C 1dxz -0.083787 0.002713 -0.032865 0.041638 -0.210667 0.246398 6C 1dyz -0.063244 -0.017142 0.225195 0.283514 0.040273 0.189136 6C 1dx2y2 0.068368 -0.044419 -0.165498 -0.151452 -0.061424 -0.212096 6C 1dxy -0.008531 -0.019969 0.094328 0.048623 -0.228819 0.213814 6C 2dz2 -0.427929 0.244555 0.381835 0.001321 -0.313366 0.100288 6C 2dxz 0.701808 -0.371698 0.046541 -0.228939 0.062194 -0.372143 6C 2dyz -0.821852 0.699964 -0.439484 -0.512851 -0.079254 -0.576095 6C 2dx2y2 -0.587320 0.560330 -0.365416 0.112964 0.222245 0.030020 6C 2dxy -0.740963 0.590325 -0.518500 -0.136649 0.354942 -0.556289 6C 1f0 -0.021114 0.004110 0.043377 0.043801 0.109861 -0.013977 6C 1f+1 0.057676 -0.015202 0.088663 0.107378 -0.039078 0.153559 6C 1f-1 -0.031044 0.077382 0.029680 0.065360 -0.054013 0.074100 6C 1f+2 -0.022945 -0.046377 -0.044901 -0.034552 -0.039558 0.054869 6C 1f-2 0.037564 0.018529 -0.012166 -0.128920 0.001518 -0.093184 6C 1f+3 -0.019258 -0.008321 0.018872 0.134298 0.113127 0.020779 6C 1f-3 -0.072162 0.080196 0.051678 -0.116013 -0.024308 -0.114665 7C 1s 0.009389 0.014757 0.000906 -0.008701 0.001466 0.002383 7C 2s 0.038000 0.058694 0.002439 -0.026462 0.006478 0.009864 7C 3s -0.963841 -1.315539 0.009890 -0.171965 -0.182963 -0.020357 7C 4s 3.953483 5.315064 -0.290923 1.328011 0.805974 0.110248 7C 5s 0.221660 -0.252100 -0.141396 1.353693 0.150408 -0.777106 7C 1pz -0.116430 -0.246560 0.067369 0.005611 -0.062659 -0.115836 7C 1px -0.029771 0.011722 0.028865 -0.024715 0.001511 -0.010170 7C 1py -0.102850 -0.143986 0.023814 0.000144 -0.016668 -0.052288 7C 2pz 1.904044 3.112303 -0.635966 -0.131788 0.553097 1.217443 7C 2px 0.519211 0.639044 -0.195836 -0.021640 0.097937 0.168440 7C 2py 1.388684 2.102529 -0.362269 -0.116474 0.328650 0.729936 7C 3pz -0.205200 -0.832653 -0.613941 0.681668 -0.101536 -0.551433 7C 3px -0.061832 0.190188 0.011535 0.097525 0.094732 -0.069594 7C 3py 0.155744 -0.497544 -0.382613 0.162989 0.005459 -0.336758 7C 1dz2 -0.008396 -0.066596 -0.243586 0.192087 0.290154 0.207158 7C 1dxz -0.047407 -0.048940 -0.065235 0.116623 -0.118712 0.013667 7C 1dyz -0.004252 0.047595 0.236724 -0.296929 -0.270310 -0.134722 7C 1dx2y2 0.020848 0.054091 -0.110968 -0.014142 -0.123750 0.225445 7C 1dxy -0.028777 -0.026685 -0.100769 0.009551 0.378314 0.073744 7C 2dz2 0.593315 0.753296 0.029695 -0.208734 -0.165395 0.023606 7C 2dxz 0.222947 0.638137 -0.227717 -0.138494 0.313744 0.413437 7C 2dyz 0.871356 1.148723 -0.471634 0.510879 0.526897 0.426601 7C 2dx2y2 -0.198937 -0.520946 0.182771 0.323980 0.113867 -0.351164 7C 2dxy 0.155408 0.542285 0.381438 -0.062039 -0.496958 -0.335740 7C 1f0 -0.002026 0.042359 0.031156 0.082638 0.111664 -0.018945 7C 1f+1 0.051917 -0.008267 0.037197 0.142499 -0.070992 -0.044930 7C 1f-1 0.001985 0.017703 0.010984 0.030910 -0.064695 0.003247 7C 1f+2 -0.062009 -0.005325 -0.014157 -0.091041 -0.017578 0.070259 7C 1f-2 -0.076415 -0.077732 -0.056527 0.091957 0.079675 0.000565 7C 1f+3 0.015670 0.017104 0.059045 -0.012055 0.103081 -0.023083 7C 1f-3 0.020601 0.068955 -0.068552 0.143918 0.050344 -0.023086 8C 1s -0.003358 0.003676 -0.002893 -0.002289 -0.000238 0.001227 8C 2s -0.018146 0.015952 -0.010238 -0.005310 -0.000007 0.001336 8C 3s 0.942464 -0.691200 0.316972 0.106397 -0.029729 0.373718 8C 4s -4.660484 3.380880 -1.626280 -0.463455 0.287716 -1.946682 8C 5s 1.424070 0.107828 -0.453033 -1.399008 -0.929744 -0.725718 8C 1pz -0.175928 0.143343 -0.095960 -0.039504 -0.009157 -0.091547 8C 1px -0.087074 0.073689 -0.043981 0.010582 -0.022009 -0.031911 8C 1py 0.320330 -0.242260 0.047321 -0.006083 -0.014391 0.110093 8C 2pz 1.557166 -1.309670 1.015716 0.647883 -0.191097 0.970482 8C 2px 0.849554 -0.806997 0.603051 0.223171 -0.120399 0.564095 8C 2py -3.044413 2.279779 -0.765549 -0.305370 0.114307 -0.670453 8C 3pz -0.037731 -0.008893 0.114753 0.309365 0.131961 0.185282 8C 3px -0.020513 0.012214 -0.005761 0.127317 0.200506 0.038914 8C 3py 0.146237 0.158555 -0.215079 -0.302984 -0.158875 -0.321223 8C 1dz2 -0.078017 0.031934 0.075026 0.125292 0.042976 0.080796 8C 1dxz 0.022826 -0.010318 -0.027079 0.041276 -0.033880 0.033448 8C 1dyz -0.055231 0.022914 0.043034 0.046317 0.004118 0.034968 8C 1dx2y2 0.035612 0.006104 -0.077885 -0.105403 0.014009 -0.093834 8C 1dxy -0.108950 0.051117 -0.033985 0.028509 -0.041165 0.028583 8C 2dz2 0.298661 -0.157480 -0.305651 -0.255732 0.007753 -0.246172 8C 2dxz -0.519568 0.284433 0.111919 -0.025942 0.010626 0.076659 8C 2dyz 0.897557 -0.628523 0.069214 0.010406 -0.027941 0.093227 8C 2dx2y2 0.556953 -0.539251 0.565320 0.405447 -0.129466 0.485872 8C 2dxy 0.408295 -0.391446 0.468990 0.242978 -0.017396 0.337209 8C 1f0 0.004057 0.001016 -0.014042 -0.084844 -0.039268 0.019009 8C 1f+1 0.056870 -0.028677 -0.039060 -0.077161 0.036376 -0.083674 8C 1f-1 -0.024273 0.034651 0.112613 0.093785 0.007277 0.093134 8C 1f+2 -0.087947 0.068994 -0.033446 -0.032264 0.029935 -0.096769 8C 1f-2 -0.033412 0.054906 0.042396 0.022523 -0.054835 0.074002 8C 1f+3 -0.023801 0.002548 0.090451 0.080326 -0.060628 0.058518 8C 1f-3 -0.060861 0.014509 -0.057714 -0.026044 0.043674 -0.043916 9C 1s -0.005419 -0.002579 0.002294 -0.002407 0.001466 -0.000888 9C 2s -0.021645 -0.016684 0.007263 -0.005280 0.002703 -0.004805 9C 3s 0.730575 1.061594 -0.150229 0.053271 0.174507 0.216385 9C 4s -3.383197 -5.345063 0.793056 -0.137932 -1.026866 -1.214595 9C 5s 0.010602 1.410075 0.516242 -1.376522 0.140039 1.098518 9C 1pz -0.241647 -0.363239 0.008572 0.012975 -0.061880 -0.034387 9C 1px -0.068867 -0.046785 -0.016196 0.028846 -0.000024 -0.006773 9C 1py -0.173504 -0.221518 0.067271 -0.019408 -0.029154 -0.068960 9C 2pz 2.243658 3.355033 -0.329093 0.144275 0.240978 0.473462 9C 2px 0.611103 0.532546 0.039194 -0.082105 0.027992 0.006388 9C 2py 1.549480 2.009878 -0.750258 0.550556 0.742961 0.988225 9C 3pz 0.119356 -0.107176 -0.179433 0.301924 0.095175 -0.230822 9C 3px 0.085906 -0.064350 -0.062867 -0.008859 -0.058529 -0.070181 9C 3py 0.021301 -0.044721 -0.044006 0.284326 -0.061699 -0.097794 9C 1dz2 0.018075 0.001540 -0.014988 0.027154 0.038555 -0.042135 9C 1dxz 0.028600 0.061997 -0.044869 0.021734 0.005107 0.064199 9C 1dyz 0.056397 0.082758 0.015771 -0.027539 -0.021622 0.046851 9C 1dx2y2 0.020300 0.026942 0.009360 -0.082138 -0.025623 0.018564 9C 1dxy 0.024833 0.089458 0.094453 -0.127367 -0.016117 -0.103441 9C 2dz2 -0.472209 -0.751420 0.100135 -0.103192 -0.126792 -0.105054 9C 2dxz -0.286004 -0.246440 0.395105 -0.261483 -0.259969 -0.444432 9C 2dyz -0.782211 -1.018192 0.200691 -0.185888 -0.179363 -0.344519 9C 2dx2y2 0.164605 0.470225 0.002389 0.037405 -0.031935 -0.044463 9C 2dxy -0.163860 -0.316639 -0.452114 0.403763 0.332152 0.500103 9C 1f0 0.008292 0.054619 -0.072552 0.070952 0.064389 0.104679 9C 1f+1 -0.033371 -0.015853 -0.073872 0.064202 0.101244 0.064287 9C 1f-1 0.045261 0.046709 -0.047570 0.100580 0.060414 0.036863 9C 1f+2 -0.072972 -0.093602 -0.081868 0.101305 0.098670 0.063568 9C 1f-2 -0.010158 0.005507 -0.019023 0.044465 -0.021833 0.012357 9C 1f+3 -0.037376 -0.045908 0.035131 0.010735 -0.104463 -0.021877 9C 1f-3 0.003446 0.036623 0.006192 -0.054320 -0.047111 -0.001359 10H 1s 0.050389 0.133004 0.042023 -0.023657 0.052683 0.018467 10H 2s -0.105499 -0.131610 0.117003 -0.184490 -0.106183 0.096491 10H 3s -0.008954 0.186312 -0.005842 0.076982 0.104554 0.077642 10H 1pz -0.178198 -0.152936 -0.050238 -0.032356 -0.061046 -0.078411 10H 1px -0.080507 -0.008817 -0.049037 0.025904 0.040952 -0.058783 10H 1py -0.100613 -0.141988 0.144746 -0.143170 0.020573 0.114621 11H 1s 0.062582 0.096834 -0.138670 0.109140 -0.020341 -0.102280 11H 2s -0.015431 -0.014762 -0.387404 0.349815 -0.547766 -0.530740 11H 3s 0.033175 0.126668 0.090055 0.049472 0.167631 0.117700 11H 1pz -0.080900 -0.116181 -0.189295 0.142108 -0.218094 -0.243828 11H 1px 0.004273 -0.088289 -0.047454 0.033542 -0.147472 -0.069205 11H 1py -0.108310 -0.150571 -0.063124 0.062840 -0.021170 -0.046064 12H 1s 0.096444 0.029019 0.104574 -0.060404 0.015179 0.120535 12H 2s 0.014588 -0.307678 0.387991 -0.451180 0.398776 0.503938 12H 3s 0.021971 0.221132 -0.086858 0.151023 -0.135430 0.021428 12H 1pz -0.147444 -0.197686 0.053457 -0.068058 0.041412 0.047976 12H 1px -0.025592 -0.104669 -0.013670 -0.017383 0.027882 0.013829 12H 1py -0.019512 -0.171480 0.165855 -0.208406 0.159611 0.173739 13H 1s 0.116460 -0.102318 -0.049767 -0.038561 -0.032098 0.077953 13H 2s -0.060012 0.083174 -0.069447 -0.252767 -0.002045 -0.177037 13H 3s 0.127043 -0.028798 -0.063355 0.079854 -0.123201 0.082973 13H 1pz -0.123431 0.054848 -0.131406 -0.133989 0.026383 -0.019509 13H 1px -0.095779 0.056527 -0.061899 -0.037782 -0.002245 0.088965 13H 1py 0.139245 -0.113887 -0.079019 0.056340 -0.000077 0.084985 14H 1s 0.014474 -0.046033 -0.122346 -0.036520 0.044558 0.059441 14H 2s -0.305177 0.074521 -0.477038 -0.376073 -0.203772 0.304395 14H 3s 0.238670 0.017889 0.081545 0.133081 0.067305 -0.097375 14H 1pz -0.107461 0.031365 -0.171149 -0.157302 -0.060787 0.117722 14H 1px -0.129404 0.045230 -0.084041 -0.083683 -0.070135 0.047932 14H 1py 0.199953 -0.166855 0.030992 0.040180 -0.001567 -0.035627 15H 1s 0.101449 -0.055567 0.144312 0.100394 -0.011604 -0.042257 15H 2s 0.109186 0.056393 0.443844 0.344800 0.103589 -0.664722 15H 3s 0.107188 -0.001432 -0.089590 0.042642 -0.090796 0.145574 15H 1pz -0.111137 0.084061 0.077313 0.047258 -0.009346 0.022877 15H 1px -0.132816 0.081392 0.057812 0.048302 0.058029 -0.107732 15H 1py 0.070937 -0.077970 -0.241141 -0.130484 -0.051600 0.279769 16H 1s 0.011546 0.021106 0.007169 0.011907 -0.006690 0.011775 16H 2s -0.157979 -0.169250 -0.051348 -0.317925 0.068084 -0.000437 16H 3s -0.023463 0.038188 -0.015338 0.057985 0.006817 -0.007393 16H 1pz -0.076111 -0.074376 -0.027492 -0.140319 0.025344 0.004589 16H 1px 0.025925 0.042666 0.000767 -0.020679 -0.004082 0.014960 16H 1py -0.002968 -0.019130 0.003051 -0.017037 0.011341 0.008012 17H 1s -0.022187 0.006322 0.004773 0.009552 0.006953 0.003175 17H 2s -0.057798 -0.073626 -0.118646 -0.299603 0.064365 -0.012741 17H 3s -0.017559 -0.047510 -0.019886 0.033631 0.024151 -0.007898 17H 1pz 0.030688 0.009723 0.039926 0.104678 -0.023861 -0.004542 17H 1px 0.026527 0.042548 0.033061 0.069817 -0.022265 0.006506 17H 1py -0.012991 0.000216 -0.018582 -0.038316 0.024238 0.002455 18H 1s 0.020695 -0.006290 0.004512 0.009810 -0.007019 -0.003300 18H 2s 0.081825 0.074046 -0.119381 -0.300993 -0.066061 0.016911 18H 3s 0.017298 0.048430 -0.021142 0.033916 -0.026787 0.008045 18H 1pz 0.039216 0.011127 -0.041563 -0.105533 -0.025116 -0.002736 18H 1px 0.034467 0.042532 -0.032895 -0.070374 -0.023482 0.007197 18H 1py -0.016656 0.002010 0.017669 0.035237 0.024072 0.001864 19H 1s -0.012586 -0.022060 0.006905 0.012557 0.006499 -0.012522 19H 2s 0.184750 0.172151 -0.047499 -0.318508 -0.067847 0.003066 19H 3s 0.024437 -0.036640 -0.012549 0.056455 -0.004052 0.005559 19H 1pz -0.087799 -0.075313 0.025446 0.140279 0.024597 0.004199 19H 1px 0.027601 0.043624 0.000885 0.018416 -0.003806 0.014281 19H 1py -0.008931 -0.019438 -0.003667 0.019744 0.011893 0.008551 20H 1s -0.096693 0.054496 0.144463 0.099625 0.015418 0.047615 20H 2s -0.120923 -0.058883 0.433059 0.329897 -0.096027 0.685296 20H 3s -0.112758 0.004497 -0.086085 0.045654 0.091864 -0.148618 20H 1pz -0.105674 0.084601 -0.076249 -0.048327 -0.011082 0.021084 20H 1px -0.129541 0.081035 -0.055793 -0.046954 0.056812 -0.111193 20H 1py 0.067006 -0.079630 0.235419 0.124413 -0.048212 0.289590 21H 1s -0.009383 0.047366 -0.121010 -0.034906 -0.046097 -0.063327 21H 2s 0.319330 -0.067442 -0.477271 -0.375493 0.191970 -0.327917 21H 3s -0.256396 -0.017931 0.083720 0.133332 -0.066352 0.099085 21H 1pz -0.110105 0.029656 0.171325 0.157108 -0.056270 0.126135 21H 1px -0.134371 0.044171 0.084708 0.084756 -0.067568 0.052981 21H 1py 0.188116 -0.166508 -0.033568 -0.039168 -0.002461 -0.038875 22H 1s -0.111578 0.102207 -0.047727 -0.037120 0.030357 -0.079100 22H 2s 0.063041 -0.088223 -0.070178 -0.257620 -0.003231 0.170308 22H 3s -0.140358 0.032894 -0.060547 0.081274 0.122929 -0.082642 22H 1pz -0.123920 0.055596 0.132695 0.135079 0.030011 -0.012583 22H 1px -0.087918 0.055320 0.060944 0.034479 -0.001547 0.090179 22H 1py 0.131048 -0.116036 0.077097 -0.057951 -0.000004 0.086612 23H 1s -0.090618 -0.031975 0.104565 -0.055062 -0.018000 -0.125611 23H 2s -0.001170 0.296136 0.396868 -0.437796 -0.407038 -0.519641 23H 3s -0.042012 -0.215704 -0.094081 0.154424 0.135040 -0.022152 23H 1pz -0.134864 -0.196664 -0.057707 0.067165 0.044661 0.054284 23H 1px -0.027990 -0.104104 0.012077 0.018060 0.028628 0.013335 23H 1py -0.023723 -0.168777 -0.170554 0.205925 0.162364 0.178982 24H 1s -0.057371 -0.094765 -0.140214 0.106249 0.020927 0.105906 24H 2s 0.009190 0.021958 -0.383911 0.315250 0.559023 0.552776 24H 3s -0.039417 -0.126748 0.084775 0.060219 -0.171217 -0.123641 24H 1pz -0.077624 -0.119775 0.185039 -0.126333 -0.222829 -0.252867 24H 1px 0.002003 -0.087304 0.045502 -0.026422 -0.149588 -0.074168 24H 1py -0.103130 -0.152891 0.061373 -0.061036 -0.021448 -0.045001 25H 1s -0.047110 -0.133513 0.039036 -0.019958 -0.049983 -0.017080 25H 2s 0.103665 0.136565 0.121876 -0.189226 0.109912 -0.080957 25H 3s -0.001809 -0.188373 -0.014114 0.086302 -0.102333 -0.084190 25H 1pz -0.170155 -0.155539 0.047549 0.038771 -0.063296 -0.085752 25H 1px -0.073270 -0.007280 0.052870 -0.028591 0.040250 -0.056921 25H 1py -0.097395 -0.140786 -0.147274 0.140402 0.022993 0.116542 26O 1s 0.000137 0.007164 0.001381 -0.004974 0.001769 0.006990 26O 2s -0.000957 0.024415 0.003931 -0.016434 0.005359 0.022947 26O 3s 0.015665 -0.179717 -0.008642 0.160287 -0.029417 -0.117126 26O 4s -0.174139 0.325436 -0.094476 -0.451011 0.001893 -0.076331 26O 5s 0.452070 -0.300021 -0.501350 -0.459456 -0.076932 -0.421966 26O 1pz 0.038559 0.087243 -0.102432 0.105943 -0.017346 -0.060656 26O 1px 0.033226 -0.104365 -0.086082 -0.060039 -0.037723 -0.113421 26O 1py -0.134448 -0.077943 0.207645 -0.108103 0.063891 0.049209 26O 2pz -0.073895 -0.144925 0.216720 -0.168341 0.090320 0.135115 26O 2px -0.083377 0.057238 0.245633 0.310731 0.112717 0.336658 26O 2py 0.179869 0.090027 -0.250515 0.290276 -0.174281 -0.002536 26O 3pz 0.381281 0.218447 -0.258568 0.211431 0.061587 0.112081 26O 3px 0.156125 -0.092992 -0.021749 0.152887 -0.010905 0.091936 26O 3py -0.093391 0.114805 -0.071824 0.079640 -0.146848 0.016188 26O 1dz2 0.006023 0.007570 -0.002733 0.006075 0.001100 0.002954 26O 1dxz 0.003336 0.003424 -0.002466 0.001958 0.000092 -0.001593 26O 1dyz 0.005581 0.004429 -0.001553 -0.006266 0.000227 0.001531 26O 1dx2y2 0.002735 -0.006290 -0.000264 -0.002798 0.000382 -0.006368 26O 1dxy 0.004774 -0.006172 0.004097 -0.005948 0.002115 -0.000802 26O 2dz2 0.092990 0.085017 -0.021897 0.072224 0.000841 0.007785 26O 2dxz -0.048575 -0.087770 -0.052385 0.038668 -0.056986 -0.039326 26O 2dyz 0.116688 -0.000074 -0.020057 -0.059352 -0.000158 0.037192 26O 2dx2y2 -0.036640 0.026242 -0.026797 -0.005395 -0.060261 -0.122599 26O 2dxy 0.055304 -0.105414 0.024917 -0.090859 0.053700 0.029572 26O 1f0 -0.004895 -0.003010 0.003516 -0.010024 -0.010416 0.000218 26O 1f+1 0.009049 0.015058 0.005796 -0.007467 0.009279 -0.000061 26O 1f-1 -0.010419 -0.006330 0.000285 -0.000932 0.013926 -0.007342 26O 1f+2 -0.004505 -0.001999 -0.003250 0.001467 0.017400 0.000271 26O 1f-2 0.004835 0.006214 0.001850 0.007105 0.008597 0.009449 26O 1f+3 -0.002299 0.003536 0.009629 -0.008707 -0.037424 0.018594 26O 1f-3 0.009288 0.003981 -0.011977 -0.006775 0.010397 -0.013483 27O 1s 0.005244 -0.000984 -0.005248 -0.006894 -0.003509 -0.000164 27O 2s 0.017759 -0.003316 -0.015888 -0.023091 -0.011868 -0.001941 27O 3s -0.131572 0.035738 0.081203 0.203624 0.058380 -0.019262 27O 4s 0.230354 -0.085889 0.046903 -0.494105 0.032642 0.220656 27O 5s -0.054949 0.124697 0.353003 -0.255481 0.555646 0.608475 27O 1pz -0.040695 0.125132 -0.177442 -0.041374 -0.034413 0.051426 27O 1px -0.123241 0.079489 -0.048989 -0.088839 0.068263 0.103969 27O 1py -0.102049 0.125263 -0.159698 -0.077793 0.001908 -0.005649 27O 2pz 0.081857 -0.189860 0.263512 0.052999 0.117261 -0.129366 27O 2px 0.075743 -0.049706 -0.014765 0.341270 -0.221466 -0.378028 27O 2py 0.189419 -0.194630 0.300389 0.113768 0.071844 -0.003299 27O 3pz 0.207232 0.189753 0.002324 0.059370 0.050088 -0.114786 27O 3px -0.045535 0.052328 -0.103727 0.206900 -0.114380 -0.301794 27O 3py -0.303266 0.226828 -0.160547 -0.350522 0.140131 0.035475 27O 1dz2 0.001682 -0.001117 0.001109 0.002235 -0.000744 -0.007007 27O 1dxz -0.000267 -0.000552 -0.003374 0.000242 0.000915 0.000489 27O 1dyz -0.004015 0.000704 0.002691 0.004387 -0.001098 -0.004453 27O 1dx2y2 -0.009344 0.007069 -0.003226 -0.007904 0.005653 0.009519 27O 1dxy -0.003425 0.001250 -0.000128 0.003797 -0.002335 -0.004880 27O 2dz2 -0.006998 -0.007597 -0.008223 0.024230 -0.004667 -0.032632 27O 2dxz -0.103942 0.007732 -0.045575 -0.006638 -0.034660 0.047727 27O 2dyz -0.048804 0.032571 0.042986 0.047856 -0.011800 -0.081257 27O 2dx2y2 -0.078765 0.027453 -0.011001 -0.097260 0.041393 0.075376 27O 2dxy 0.074665 -0.091908 -0.031845 0.015716 -0.020341 0.060820 27O 1f0 0.005432 -0.007354 0.008295 0.004480 -0.017841 0.018363 27O 1f+1 0.001846 -0.004091 0.011013 -0.005759 0.004612 0.008647 27O 1f-1 0.003824 -0.001266 -0.003400 0.001485 -0.007463 0.004542 27O 1f+2 0.012566 -0.001965 -0.011154 -0.003776 0.020932 -0.017545 27O 1f-2 -0.005874 0.004164 0.007141 -0.000732 -0.012145 0.006148 27O 1f+3 0.010286 -0.009671 -0.002026 -0.003606 -0.019313 0.020947 27O 1f-3 -0.000055 -0.002659 0.005442 0.014840 -0.025683 -0.006292 28O 1s -0.004920 -0.005093 0.002384 -0.008685 -0.000950 0.003070 28O 2s -0.016941 -0.021221 0.007155 -0.030265 -0.004173 0.009329 28O 3s 0.107088 0.220525 -0.033440 0.272482 0.043983 -0.012190 28O 4s -0.251920 -1.010082 -0.018216 -0.749260 -0.177004 -0.328369 28O 5s 0.617066 1.430319 -0.473009 -0.072221 0.210966 -0.345923 28O 1pz 0.014257 -0.191426 0.054207 -0.086614 0.052108 0.007485 28O 1px 0.029605 -0.132985 0.019311 0.024103 0.005192 0.099272 28O 1py -0.226820 -0.013081 -0.062160 0.046358 -0.084796 -0.128144 28O 2pz -0.090678 0.363397 -0.063272 0.329401 -0.126612 0.100627 28O 2px 0.010534 0.055635 -0.107891 -0.241413 -0.080210 -0.347689 28O 2py 0.303811 -0.035207 0.221969 -0.134560 0.277436 0.296803 28O 3pz 0.002696 -0.101191 -0.047404 0.103399 -0.054819 0.130767 28O 3px 0.279915 0.243968 -0.120460 0.014799 -0.005530 -0.078193 28O 3py -0.264245 0.116949 0.009110 -0.112787 0.078555 -0.033904 28O 1dz2 0.003001 0.002496 0.002953 -0.001777 0.001050 0.005035 28O 1dxz 0.005020 -0.000659 -0.001543 0.007033 -0.003991 0.005042 28O 1dyz 0.001304 0.010951 -0.002784 -0.001161 0.001843 -0.001572 28O 1dx2y2 -0.002315 -0.000268 0.001498 -0.000027 -0.001472 -0.004172 28O 1dxy 0.003128 0.001731 0.002470 -0.002267 0.002371 0.004380 28O 2dz2 -0.005947 0.128865 0.050509 -0.008952 0.035739 0.097522 28O 2dxz 0.016118 -0.008412 0.014286 0.049658 -0.032302 0.030505 28O 2dyz 0.078200 0.271612 -0.092706 0.055682 -0.016127 -0.016728 28O 2dx2y2 0.035193 -0.039145 0.024973 -0.033542 -0.024457 -0.042327 28O 2dxy 0.001577 0.011006 0.089011 -0.107736 0.091369 0.051853 28O 1f0 0.006309 0.002645 0.002113 0.002380 -0.027478 0.000646 28O 1f+1 -0.000481 -0.005376 0.014227 -0.024427 0.037380 -0.002087 28O 1f-1 -0.007169 -0.008928 0.005783 0.002011 0.009377 0.004164 28O 1f+2 -0.002572 0.007050 -0.003807 0.013986 -0.003647 0.001932 28O 1f-2 -0.001261 -0.008839 -0.025963 0.013245 -0.047128 -0.021520 28O 1f+3 -0.001818 -0.003013 0.013277 -0.000159 0.001124 0.009920 28O 1f-3 0.010113 0.015866 -0.023668 0.017773 -0.032774 -0.014848 29O 1s -0.001743 -0.000673 -0.000667 -0.021784 0.000286 0.002469 29O 2s -0.005277 -0.001515 -0.001541 -0.072885 0.000349 0.008465 29O 3s 0.017472 -0.012161 -0.007716 0.444338 0.011967 -0.058266 29O 4s -0.039117 0.053034 0.051071 -0.576007 -0.036271 0.099337 29O 5s 0.374446 0.172837 0.076798 0.810492 -0.116806 -0.104439 29O 1pz -0.040921 0.003162 0.007415 0.057467 0.004001 -0.006274 29O 1px 0.068414 0.077687 0.017352 -0.131165 -0.019842 0.026364 29O 1py 0.040404 0.023015 -0.008621 0.066447 0.015038 0.000823 29O 2pz 0.027227 -0.057906 -0.007603 -0.145345 -0.004418 0.015405 29O 2px -0.075555 -0.100780 -0.000170 0.303724 0.009242 -0.046255 29O 2py -0.106734 -0.078935 -0.018709 -0.217682 0.004496 0.003241 29O 3pz -0.036502 0.037578 0.039139 0.060815 0.011325 0.001662 29O 3px -0.039282 0.036169 0.068162 -0.180378 -0.019825 0.061425 29O 3py -0.059360 -0.033848 -0.064931 -0.066123 0.050664 -0.017607 29O 1dz2 -0.002274 -0.002046 -0.000929 -0.002479 0.000457 -0.000069 29O 1dxz 0.000009 -0.000462 -0.001894 -0.003499 -0.000010 0.000564 29O 1dyz 0.001548 -0.003676 -0.000586 -0.000514 -0.000807 -0.000804 29O 1dx2y2 0.002451 0.001122 -0.001142 0.003664 -0.000815 -0.000623 29O 1dxy 0.001442 0.001064 0.000786 0.000393 -0.000059 0.001996 29O 2dz2 0.001864 0.020846 -0.002349 0.020786 -0.008683 -0.004397 29O 2dxz 0.016464 0.010475 0.006916 0.004996 -0.016898 0.009806 29O 2dyz 0.025074 -0.004416 -0.011862 0.026792 0.000327 -0.010578 29O 2dx2y2 0.012435 -0.010427 -0.012472 -0.003283 -0.007523 -0.007904 29O 2dxy -0.006609 0.003373 -0.021758 -0.075561 0.015873 0.015297 29O 1f0 -0.003802 -0.004112 -0.002233 -0.007152 0.001838 -0.001294 29O 1f+1 0.000297 0.001690 0.000987 0.002895 -0.000360 0.000186 29O 1f-1 -0.004625 -0.003898 -0.002197 -0.007820 0.002152 -0.000617 29O 1f+2 0.001091 0.002904 -0.000314 0.000942 -0.000397 0.000473 29O 1f-2 0.003284 -0.003044 -0.002766 -0.005992 0.000117 -0.000401 29O 1f+3 -0.002564 -0.000331 0.000508 -0.001985 0.000794 -0.000103 29O 1f-3 -0.000848 0.000399 0.000469 0.001604 -0.000640 -0.001878 30O 1s -0.005841 0.003145 -0.004144 -0.009012 -0.002927 -0.003995 30O 2s -0.022882 0.012790 -0.013519 -0.030816 -0.009303 -0.014811 30O 3s 0.213324 -0.118108 0.081304 0.275750 0.021326 0.078863 30O 4s -0.891883 0.513197 -0.047827 -0.766806 0.246828 -0.026387 30O 5s 1.384550 -0.841646 0.635506 -0.026705 0.175004 0.772787 30O 1pz 0.078523 0.150926 0.037765 -0.025241 0.059842 -0.010915 30O 1px -0.095988 0.113104 -0.027329 0.071031 -0.017418 -0.099120 30O 1py 0.257223 -0.004903 0.059260 0.069650 -0.048598 -0.086118 30O 2pz -0.123939 -0.237048 -0.231918 0.129212 -0.255370 0.043937 30O 2px 0.013252 -0.124374 0.054567 -0.349665 0.136376 0.305334 30O 2py -0.419849 0.022882 -0.054192 -0.262153 0.124511 0.286678 30O 3pz -0.090100 0.226228 -0.053911 -0.145504 -0.115830 -0.050378 30O 3px 0.288254 -0.086062 0.127252 0.009951 0.046048 0.150237 30O 3py 0.220770 0.238298 -0.121480 -0.040704 0.032231 0.175594 30O 1dz2 0.001086 0.005477 0.003937 0.001505 -0.002934 -0.004276 30O 1dxz 0.001158 0.003521 0.000641 0.001226 -0.005221 -0.002959 30O 1dyz -0.006855 0.006887 -0.001594 0.005984 -0.000444 -0.008407 30O 1dx2y2 -0.000898 0.001586 0.000157 -0.002278 0.001034 -0.000874 30O 1dxy -0.005651 0.000669 -0.004105 -0.005729 0.003200 0.006592 30O 2dz2 0.004115 0.011315 0.117724 0.069939 -0.010537 -0.109834 30O 2dxz 0.013248 0.032728 -0.042139 -0.014600 -0.064507 0.013174 30O 2dyz -0.231600 0.168525 -0.072256 -0.003198 0.021216 -0.026703 30O 2dx2y2 -0.106368 0.042336 -0.008886 -0.076923 0.039218 0.068942 30O 2dxy -0.079065 0.088167 -0.022571 -0.038146 0.001330 0.044049 30O 1f0 0.007550 -0.007713 0.008672 -0.009476 -0.005392 0.015144 30O 1f+1 0.016864 -0.011023 0.028782 0.018159 0.035074 -0.031384 30O 1f-1 -0.000716 0.003606 0.016975 0.008206 0.028149 -0.029040 30O 1f+2 0.000325 -0.002852 -0.012749 -0.006067 -0.007083 0.023661 30O 1f-2 0.009287 -0.005639 -0.003257 0.010791 -0.015783 -0.003126 30O 1f+3 -0.004191 0.003469 -0.007294 -0.008676 -0.012762 0.028777 30O 1f-3 -0.001424 0.004398 0.021861 0.014569 0.004919 -0.014734 31O 1s 0.005802 -0.003206 -0.004044 -0.009102 0.002757 0.003899 31O 2s 0.022738 -0.012987 -0.013219 -0.031146 0.008752 0.014525 31O 3s -0.212802 0.119800 0.079570 0.276889 -0.017626 -0.077589 31O 4s 0.883614 -0.518382 -0.048354 -0.763291 -0.251641 0.027814 31O 5s -1.362596 0.826615 0.639064 -0.013160 -0.166579 -0.753664 31O 1pz 0.103343 0.152866 -0.038518 0.022983 0.059813 -0.014329 31O 1px -0.087797 0.112689 0.026722 -0.068680 -0.018418 -0.100280 31O 1py 0.267032 -0.003682 -0.060370 -0.068617 -0.048602 -0.089683 31O 2pz -0.159228 -0.243492 0.232682 -0.123100 -0.254076 0.055234 31O 2px -0.001434 -0.121806 -0.054094 0.341842 0.138651 0.306435 31O 2py -0.437032 0.022640 0.056376 0.257305 0.124053 0.292308 31O 3pz -0.055811 0.227456 0.057535 0.146684 -0.111617 -0.039865 31O 3px 0.298192 -0.081838 -0.130603 -0.010152 0.042638 0.144939 31O 3py 0.263296 0.239165 0.119914 0.035018 0.034996 0.176585 31O 1dz2 -0.001834 -0.005626 0.003902 0.001412 0.002935 0.004333 31O 1dxz -0.001224 -0.003538 0.000595 0.001061 0.005144 0.002746 31O 1dyz 0.007166 -0.006708 -0.001734 0.005757 0.000519 0.008461 31O 1dx2y2 0.000464 -0.001642 0.000064 -0.002303 -0.001087 0.000767 31O 1dxy 0.005469 -0.000686 -0.004168 -0.005579 -0.003290 -0.006776 31O 2dz2 -0.002528 -0.013469 0.117390 0.068648 0.011782 0.113771 31O 2dxz -0.018178 -0.032594 -0.042585 -0.015543 0.063415 -0.017214 31O 2dyz 0.227180 -0.166319 -0.073255 -0.004284 -0.021857 0.024971 31O 2dx2y2 0.105011 -0.042629 -0.007926 -0.074717 -0.040306 -0.069515 31O 2dxy 0.070538 -0.088313 -0.024334 -0.038155 -0.001965 -0.046607 31O 1f0 0.006973 -0.007535 -0.008769 0.009216 -0.005493 0.015012 31O 1f+1 0.015707 -0.010838 -0.028760 -0.018274 0.034679 -0.032748 31O 1f-1 -0.000429 0.003786 -0.016734 -0.008194 0.027998 -0.029913 31O 1f+2 0.000795 -0.002996 0.012695 0.005663 -0.006981 0.024136 31O 1f-2 0.009416 -0.005733 0.003127 -0.010404 -0.015718 -0.002862 31O 1f+3 -0.003645 0.003391 0.007230 0.008089 -0.012746 0.029124 31O 1f-3 -0.001543 0.004483 -0.021598 -0.014496 0.004601 -0.015439 32O 1s 0.002770 0.000481 -0.000636 -0.021668 -0.000402 -0.002439 32O 2s 0.008564 0.000847 -0.001449 -0.072481 -0.000742 -0.008374 32O 3s -0.033620 0.016906 -0.007907 0.441430 -0.009460 0.058048 32O 4s 0.049363 -0.060556 0.050204 -0.571036 0.032798 -0.099725 32O 5s -0.409001 -0.170982 0.075923 0.807281 0.120247 0.100500 32O 1pz -0.040865 0.002106 -0.009183 -0.054490 0.001977 -0.005419 32O 1px 0.065992 0.080413 -0.016291 0.129586 -0.019624 0.025913 32O 1py 0.041741 0.023703 0.008777 -0.067402 0.014745 0.000236 32O 2pz 0.024407 -0.055866 0.007415 0.137553 -0.002714 0.014665 32O 2px -0.063281 -0.104559 -0.002003 -0.302167 0.007949 -0.044516 32O 2py -0.119715 -0.081490 0.017440 0.219773 0.005345 0.003596 32O 3pz -0.040115 0.036648 -0.044052 -0.061537 0.007181 0.002908 32O 3px -0.038304 0.040415 -0.068253 0.177015 -0.019865 0.062101 32O 3py -0.069240 -0.035311 0.064968 0.065956 0.050094 -0.021833 32O 1dz2 0.002578 0.002067 -0.000907 -0.002507 -0.000486 0.000057 32O 1dxz 0.000271 0.000441 -0.001929 -0.003475 -0.000015 -0.000554 32O 1dyz -0.001489 0.003721 -0.000588 -0.000592 0.000812 0.000779 32O 1dx2y2 -0.002753 -0.001074 -0.001193 0.003654 0.000825 0.000648 32O 1dxy -0.001674 -0.001066 0.000733 0.000431 0.000042 -0.002100 32O 2dz2 -0.004771 -0.019303 -0.003277 0.019732 0.008896 0.004617 32O 2dxz -0.018555 -0.010106 0.007118 0.006838 0.017409 -0.010141 32O 2dyz -0.027140 0.003133 -0.013146 0.026820 -0.000440 0.011208 32O 2dx2y2 -0.012131 0.011868 -0.011850 -0.003332 0.007854 0.007996 32O 2dxy 0.010149 -0.003116 -0.022350 -0.074976 -0.016139 -0.015081 32O 1f0 -0.004096 -0.003929 0.001996 0.006771 0.001714 -0.001342 32O 1f+1 0.000625 0.001857 -0.001052 -0.003307 -0.000389 0.000224 32O 1f-1 -0.005649 -0.004179 0.002217 0.008244 0.002161 -0.000803 32O 1f+2 0.001313 0.003124 0.000262 -0.001359 -0.000521 0.000453 32O 1f-2 0.002795 -0.002832 0.002796 0.005726 0.000183 -0.000463 32O 1f+3 -0.002698 -0.000361 -0.000428 0.002162 0.000813 -0.000137 32O 1f-3 -0.000723 0.000290 -0.000496 -0.001435 -0.000681 -0.001909 33O 1s 0.004885 0.005018 0.002404 -0.008569 0.001043 -0.002762 33O 2s 0.016872 0.020938 0.007296 -0.029988 0.004465 -0.008319 33O 3s -0.107656 -0.218181 -0.035587 0.273355 -0.045433 0.005563 33O 4s 0.247494 1.004028 -0.005435 -0.770266 0.175887 0.336646 33O 5s -0.597400 -1.401635 -0.482550 -0.067974 -0.216250 0.323222 33O 1pz 0.002229 -0.189308 -0.057642 0.086751 0.055360 0.011541 33O 1px 0.019339 -0.131027 -0.021442 -0.026111 0.006988 0.101350 33O 1py -0.197147 -0.014761 0.066590 -0.041663 -0.087072 -0.133968 33O 2pz -0.069798 0.360818 0.072145 -0.334402 -0.136210 0.088952 33O 2px 0.022809 0.051628 0.109810 0.252338 -0.083170 -0.352308 33O 2py 0.259422 -0.028780 -0.229514 0.123211 0.282063 0.309481 33O 3pz -0.044110 -0.099023 0.044867 -0.103904 -0.054034 0.124654 33O 3px 0.264060 0.237920 0.122261 -0.016165 -0.004116 -0.073257 33O 3py -0.229903 0.121137 -0.004975 0.114059 0.085493 -0.025897 33O 1dz2 -0.002363 -0.002527 0.002911 -0.001530 -0.001012 -0.005053 33O 1dxz -0.004516 0.000618 -0.001518 0.007047 0.004078 -0.004910 33O 1dyz -0.001719 -0.010718 -0.003044 -0.000975 -0.001812 0.001687 33O 1dx2y2 0.002606 0.000203 0.001490 -0.000124 0.001530 0.004355 33O 1dxy -0.002831 -0.001809 0.002533 -0.002121 -0.002538 -0.004587 33O 2dz2 0.004743 -0.128543 0.052289 -0.006606 -0.038716 -0.101917 33O 2dxz -0.010634 0.007517 0.013237 0.050669 0.034092 -0.027433 33O 2dyz -0.071106 -0.266909 -0.095812 0.057993 0.017243 0.019602 33O 2dx2y2 -0.030474 0.037984 0.024283 -0.034325 0.025765 0.043992 33O 2dxy -0.004481 -0.015048 0.088682 -0.105336 -0.094095 -0.056217 33O 1f0 0.006376 0.002653 -0.002051 -0.002145 -0.027733 0.000061 33O 1f+1 0.000127 -0.004929 -0.014464 0.024081 0.038288 -0.000835 33O 1f-1 -0.006819 -0.008704 -0.005798 -0.002160 0.009140 0.004111 33O 1f+2 -0.002015 0.007064 0.004009 -0.014206 -0.003848 0.001819 33O 1f-2 -0.001494 -0.009396 0.025794 -0.012069 -0.047423 -0.022454 33O 1f+3 -0.001382 -0.002823 -0.013369 -0.000247 0.001300 0.010434 33O 1f-3 0.009082 0.015323 0.024066 -0.017270 -0.033256 -0.015819 34O 1s -0.005211 0.000969 -0.005201 -0.006906 0.003459 0.000101 34O 2s -0.017607 0.003225 -0.015799 -0.023169 0.011722 0.001759 34O 3s 0.129488 -0.034527 0.081528 0.202447 -0.057423 0.019827 34O 4s -0.230285 0.081755 0.039103 -0.480934 -0.033599 -0.217870 34O 5s 0.061230 -0.128656 0.362730 -0.233755 -0.549286 -0.589106 34O 1pz -0.020368 0.122134 0.179250 0.041007 -0.031891 0.057848 34O 1px -0.117534 0.078143 0.049271 0.084197 0.069463 0.105045 34O 1py -0.089577 0.123276 0.160286 0.079030 0.002169 -0.002359 34O 2pz 0.051025 -0.184785 -0.266789 -0.053180 0.114223 -0.139934 34O 2px 0.070153 -0.048892 0.012597 -0.324136 -0.222300 -0.375242 34O 2py 0.171737 -0.190922 -0.300703 -0.117257 0.070030 -0.012289 34O 3pz 0.243388 0.189639 -0.001217 -0.060743 0.049450 -0.118523 34O 3px -0.049571 0.050809 0.105395 -0.199529 -0.117644 -0.304405 34O 3py -0.264376 0.227824 0.161759 0.346299 0.148712 0.048086 34O 1dz2 -0.002193 0.001077 0.001032 0.002002 0.000761 0.006879 34O 1dxz -0.000060 0.000637 -0.003325 0.000202 -0.000895 -0.000549 34O 1dyz 0.004310 -0.000740 0.002517 0.004246 0.001135 0.004511 34O 1dx2y2 0.008841 -0.007063 -0.003228 -0.007520 -0.005872 -0.009787 34O 1dxy 0.003405 -0.001228 -0.000334 0.003552 0.002365 0.004870 34O 2dz2 0.003420 0.007924 -0.009114 0.023443 0.004373 0.030488 34O 2dxz 0.110755 -0.006347 -0.045258 -0.008028 0.034667 -0.050249 34O 2dyz 0.043342 -0.033203 0.040153 0.046354 0.012090 0.082355 34O 2dx2y2 0.076937 -0.027389 -0.012564 -0.094967 -0.043067 -0.078268 34O 2dxy -0.069086 0.093064 -0.032821 0.016798 0.020117 -0.062817 34O 1f0 0.004746 -0.007344 -0.008427 -0.004543 -0.018235 0.017975 34O 1f+1 0.000926 -0.004062 -0.010877 0.005366 0.004432 0.008394 34O 1f-1 0.004029 -0.001356 0.003316 -0.001372 -0.007441 0.004812 34O 1f+2 0.012931 -0.001974 0.010936 0.003720 0.021237 -0.017303 34O 1f-2 -0.005550 0.004220 -0.006951 0.000812 -0.012416 0.005921 34O 1f+3 0.009653 -0.009744 0.001828 0.003371 -0.019369 0.020913 34O 1f-3 -0.000920 -0.002826 -0.005338 -0.014189 -0.025868 -0.006386 35O 1s -0.000126 -0.007311 0.001260 -0.004608 -0.001611 -0.006810 35O 2s 0.000960 -0.024850 0.003602 -0.015281 -0.004862 -0.022344 35O 3s -0.015951 0.181571 -0.007305 0.153825 0.027010 0.113058 35O 4s 0.167497 -0.321965 -0.089188 -0.450307 -0.003963 0.081233 35O 5s -0.417417 0.317999 -0.510249 -0.470085 0.057310 0.400056 35O 1pz 0.030824 0.081078 0.103898 -0.105051 -0.021662 -0.065655 35O 1px 0.025835 -0.107248 0.086723 0.063284 -0.037736 -0.115575 35O 1py -0.113922 -0.069557 -0.210095 0.105945 0.067584 0.056095 35O 2pz -0.062897 -0.133773 -0.218167 0.164901 0.096694 0.141890 35O 2px -0.069033 0.066364 -0.245492 -0.319609 0.108277 0.338780 35O 2py 0.151905 0.078658 0.256031 -0.289269 -0.183781 -0.018039 35O 3pz 0.346945 0.207257 0.258936 -0.215043 0.063693 0.121614 35O 3px 0.138886 -0.090493 0.016895 -0.154138 -0.013143 0.091161 35O 3py -0.056097 0.118719 0.073594 -0.081360 -0.144236 0.025430 35O 1dz2 -0.005468 -0.007435 -0.002775 0.006207 -0.001026 -0.002811 35O 1dxz -0.003126 -0.003355 -0.002624 0.002079 -0.000060 0.001728 35O 1dyz -0.005729 -0.004531 -0.001815 -0.006024 -0.000272 -0.001694 35O 1dx2y2 -0.002278 0.006392 -0.000385 -0.002869 -0.000188 0.006664 35O 1dxy -0.004723 0.006014 0.003996 -0.005806 -0.002124 0.000806 35O 2dz2 -0.088325 -0.084232 -0.024974 0.074482 0.001313 -0.005269 35O 2dxz 0.044042 0.088861 -0.052873 0.036334 0.058764 0.041812 35O 2dyz -0.113242 -0.001360 -0.023359 -0.056317 0.000081 -0.038632 35O 2dx2y2 0.031088 -0.024101 -0.028236 -0.008755 0.061858 0.127425 35O 2dxy -0.046798 0.105252 0.025490 -0.090415 -0.054796 -0.031563 35O 1f0 -0.003726 -0.002907 -0.003566 0.010024 -0.010230 0.000679 35O 1f+1 0.008903 0.015055 -0.005299 0.007071 0.009200 -0.000190 35O 1f-1 -0.010367 -0.006411 -0.000424 0.001198 0.013836 -0.007464 35O 1f+2 -0.004511 -0.002039 0.003134 -0.001242 0.017510 0.000321 35O 1f-2 0.004091 0.006481 -0.001678 -0.007471 0.008534 0.009224 35O 1f+3 -0.001453 0.003564 -0.009574 0.008237 -0.037413 0.018478 35O 1f-3 0.008043 0.003908 0.011884 0.007063 0.010495 -0.013401 480 481 482 483 484 485 2.93864 2.94831 2.97994 2.98458 2.99768 3.00152 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s 0.000152 -0.003856 0.001541 0.000315 0.001054 0.000080 0Rh 2s -0.000746 0.030424 -0.008415 -0.002147 -0.010863 0.001713 0Rh 3s 0.000449 -0.004378 0.004044 0.000564 -0.000361 0.001526 0Rh 4s 0.004035 -0.160168 0.045532 0.011348 0.056243 -0.008398 0Rh 5s -0.007640 0.317355 -0.090516 -0.021428 -0.107664 0.017751 0Rh 6s 0.006829 -0.207153 0.092081 0.009901 0.025234 0.001504 0Rh 7s -0.032848 -0.019859 -0.505206 0.035318 0.156879 -0.163273 0Rh 8s -0.046310 -0.126469 -0.244026 -0.014797 0.379319 -0.036783 0Rh 1pz -0.003795 0.000260 0.002868 -0.000028 0.000665 -0.000576 0Rh 1px -0.002666 -0.001636 -0.003612 0.000638 0.002362 -0.003423 0Rh 1py 0.002907 -0.003582 -0.000791 -0.000108 0.001223 -0.000771 0Rh 2pz 0.014407 -0.001111 -0.009966 -0.000145 -0.001994 0.002147 0Rh 2px 0.009810 0.006225 0.012456 -0.002345 -0.009452 0.012179 0Rh 2py -0.010291 0.013561 0.002648 0.000052 -0.004900 0.003363 0Rh 3pz -0.029323 0.004729 0.000834 0.005953 -0.007055 -0.003595 0Rh 3px -0.013273 -0.012039 0.001935 0.003004 0.027716 -0.006706 0Rh 3py 0.005555 -0.026016 0.002293 0.007813 0.015199 -0.015489 0Rh 4pz 0.020466 -0.011816 0.072886 -0.027948 0.045900 0.000222 0Rh 4px -0.017169 -0.000070 -0.109502 0.005471 -0.039250 -0.068618 0Rh 4py 0.052108 0.007522 -0.031739 -0.037829 -0.028999 0.040027 0Rh 5pz -0.044164 0.019887 -0.160435 0.073854 -0.089407 -0.005116 0Rh 5px 0.042051 0.028309 0.262706 -0.013458 0.033775 0.165518 0Rh 5py -0.100670 -0.009578 0.073075 0.090196 0.060238 -0.072560 0Rh 6pz 0.083688 0.193841 0.768112 -0.377647 -0.149315 0.169476 0Rh 6px -0.240672 -0.196296 -1.404049 -0.068841 0.328773 -0.734788 0Rh 6py 0.200005 0.402809 -0.317070 0.047246 -0.177886 0.225598 0Rh 1dz2 0.001684 -0.001714 0.009649 -0.010062 0.003707 -0.001179 0Rh 1dxz -0.002446 0.002841 -0.000370 0.007566 0.001235 0.009632 0Rh 1dyz 0.003674 -0.004234 -0.001831 -0.028931 -0.000292 0.005313 0Rh 1dx2y2 0.005722 0.002221 -0.013767 -0.002646 -0.008832 0.005125 0Rh 1dxy -0.012023 -0.005240 -0.001069 -0.003385 0.000990 -0.009292 0Rh 2dz2 0.000143 0.000587 -0.002186 -0.000265 0.001642 -0.002134 0Rh 2dxz -0.002106 0.001412 -0.004150 0.000842 0.001807 -0.001012 0Rh 2dyz -0.000984 -0.000065 -0.000594 -0.001820 0.000214 -0.000666 0Rh 2dx2y2 0.000368 -0.001113 0.005154 0.000415 -0.003580 0.003924 0Rh 2dxy -0.001453 -0.000721 0.002754 0.000513 -0.001058 -0.000511 0Rh 3dz2 -0.005658 0.002702 -0.019990 0.032008 -0.018845 0.013314 0Rh 3dxz 0.016944 -0.014838 0.019866 -0.027145 -0.011974 -0.025378 0Rh 3dyz -0.006754 0.013204 0.008294 0.096937 -0.000055 -0.013376 0Rh 3dx2y2 -0.019164 -0.002134 0.019290 0.006272 0.043451 -0.033558 0Rh 3dxy 0.043494 0.019196 -0.009123 0.007944 0.001710 0.031224 0Rh 4dz2 0.001917 0.005352 -0.018617 -0.009203 0.025292 -0.031393 0Rh 4dxz -0.032547 0.018706 -0.057581 0.019245 0.024969 -0.001771 0Rh 4dyz -0.011587 -0.003620 -0.009418 -0.043891 0.002292 -0.004449 0Rh 4dx2y2 0.009943 -0.008056 0.055236 0.003936 -0.056635 0.059521 0Rh 4dxy -0.033967 -0.012896 0.037009 0.007319 -0.012858 -0.019632 0Rh 5dz2 0.003358 -0.014449 0.070222 -0.142854 0.026216 0.037322 0Rh 5dxz 0.088023 0.023032 0.060812 0.024718 0.020999 0.046768 0Rh 5dyz 0.072713 -0.050582 -0.008869 -0.322675 0.005877 0.038373 0Rh 5dx2y2 0.056182 -0.027353 -0.137341 -0.049808 -0.048457 -0.052181 0Rh 5dxy -0.000010 -0.051326 -0.059163 -0.108491 0.001456 0.001643 0Rh 1f0 -0.030560 0.014338 0.011163 -0.014502 0.011228 0.001945 0Rh 1f+1 0.009996 0.001029 -0.013750 0.004444 -0.018677 -0.001386 0Rh 1f-1 0.030631 0.008962 -0.011495 -0.023142 -0.012623 0.005266 0Rh 1f+2 -0.054800 -0.001729 0.002548 -0.000844 -0.017950 -0.002830 0Rh 1f-2 -0.025575 0.014120 0.000419 0.025158 -0.015598 -0.004218 0Rh 1f+3 0.038004 -0.016491 -0.022190 -0.003011 -0.022319 0.002455 0Rh 1f-3 -0.016377 -0.000237 -0.007596 -0.013336 -0.019889 -0.002773 1Rh 1s -0.000108 -0.003859 -0.001539 0.000376 0.001059 -0.000174 1Rh 2s 0.000411 0.030482 0.008399 -0.002456 -0.011101 -0.000711 1Rh 3s -0.000389 -0.004359 -0.004042 0.000738 -0.000479 -0.001469 1Rh 4s -0.002270 -0.160467 -0.045443 0.013023 0.057445 0.003201 1Rh 5s 0.004194 0.318006 0.090289 -0.024719 -0.110184 -0.007582 1Rh 6s -0.004757 -0.207638 -0.091654 0.013272 0.025899 -0.005058 1Rh 7s 0.033715 -0.020786 0.505030 0.016808 0.175738 0.152788 1Rh 8s 0.048014 -0.123841 0.241417 -0.023852 0.378596 0.004181 1Rh 1pz -0.003855 -0.000436 0.002827 -0.000058 -0.000681 -0.000362 1Rh 1px -0.002711 0.001669 -0.003613 -0.000426 -0.002613 -0.003220 1Rh 1py 0.002833 0.003527 -0.000760 0.000123 -0.001301 -0.000717 1Rh 2pz 0.014630 0.001734 -0.009799 0.000438 0.002070 0.001404 1Rh 2px 0.009979 -0.006356 0.012462 0.001602 0.010336 0.011373 1Rh 2py -0.010014 -0.013340 0.002535 -0.000119 0.005230 0.003142 1Rh 3pz -0.029705 -0.005065 0.000247 -0.005794 0.006627 -0.003619 1Rh 3px -0.013576 0.012427 0.001916 -0.002799 -0.028021 -0.004446 1Rh 3py 0.005046 0.025347 0.002411 -0.007555 -0.016501 -0.014716 1Rh 4pz 0.020357 0.008637 0.074228 0.024904 -0.044598 0.006469 1Rh 4px -0.017231 -0.000499 -0.109410 -0.000420 0.033528 -0.071472 1Rh 4py 0.052188 -0.006128 -0.031317 0.037443 0.031958 0.038383 1Rh 5pz -0.043817 -0.013553 -0.163506 -0.066862 0.086525 -0.019794 1Rh 5px 0.042586 -0.027723 0.262238 0.001365 -0.020483 0.167164 1Rh 5py -0.100696 0.006326 0.072216 -0.090268 -0.065297 -0.069450 1Rh 6pz 0.094124 -0.213195 0.774054 0.343198 0.171750 0.204878 1Rh 6px -0.238874 0.200032 -1.397931 0.131340 -0.380517 -0.693553 1Rh 6py 0.196588 -0.395373 -0.337726 -0.044905 0.193476 0.218711 1Rh 1dz2 -0.001705 -0.001548 -0.010121 -0.009910 0.003725 0.000794 1Rh 1dxz 0.002571 0.002091 0.000631 0.007634 0.000615 -0.009309 1Rh 1dyz -0.004284 -0.004373 0.000969 -0.028693 -0.000689 -0.005425 1Rh 1dx2y2 -0.005724 0.001971 0.013849 -0.003011 -0.009000 -0.004442 1Rh 1dxy 0.011876 -0.005143 0.000773 -0.003849 0.001823 0.009365 1Rh 2dz2 -0.000123 0.000592 0.002167 -0.000404 0.001805 0.001981 1Rh 2dxz 0.002098 0.001336 0.004176 0.000660 0.001904 0.000908 1Rh 2dyz 0.000955 -0.000046 0.000539 -0.001860 0.000247 0.000634 1Rh 2dx2y2 -0.000333 -0.001117 -0.005132 0.000645 -0.003874 -0.003588 1Rh 2dxy 0.001462 -0.000628 -0.002756 0.000585 -0.001016 0.000617 1Rh 3dz2 0.005629 0.002169 0.021523 0.032168 -0.019639 -0.011439 1Rh 3dxz -0.017294 -0.012185 -0.020785 -0.026533 -0.010480 0.024849 1Rh 3dyz 0.008740 0.013541 -0.005413 0.096380 0.001017 0.013864 1Rh 3dx2y2 0.019013 -0.001350 -0.019642 0.006362 0.045291 0.029929 1Rh 3dxy -0.043085 0.018481 0.010037 0.009056 -0.001072 -0.031926 1Rh 4dz2 -0.001538 0.005612 0.018023 -0.010965 0.027565 0.029023 1Rh 4dxz 0.032604 0.016814 0.058197 0.016795 0.025465 0.000777 1Rh 4dyz 0.010833 -0.003458 0.008176 -0.044188 0.002395 0.003965 1Rh 4dx2y2 -0.009466 -0.008340 -0.054818 0.006700 -0.060750 -0.054358 1Rh 4dxy 0.034015 -0.011452 -0.037207 0.007757 -0.011153 0.021133 1Rh 5dz2 -0.006360 -0.013746 -0.075491 -0.139800 0.023586 -0.040173 1Rh 5dxz -0.087474 0.020894 -0.060061 0.028545 0.018336 -0.047265 1Rh 5dyz -0.079512 -0.051772 -0.001579 -0.321192 0.003689 -0.040207 1Rh 5dx2y2 -0.057188 -0.027975 0.136723 -0.055080 -0.044907 0.054897 1Rh 5dxy -0.002421 -0.055132 0.054847 -0.112114 0.001318 -0.001580 1Rh 1f0 -0.030005 -0.013423 0.011419 0.014701 -0.011162 0.003486 1Rh 1f+1 0.009879 -0.000318 -0.013977 -0.003977 0.018337 -0.002283 1Rh 1f-1 0.031284 -0.006474 -0.010839 0.023694 0.012526 0.004432 1Rh 1f+2 -0.054673 0.000686 0.002559 0.001475 0.017934 -0.004444 1Rh 1f-2 -0.026012 -0.013121 -0.000633 -0.024315 0.015194 -0.005424 1Rh 1f+3 0.037809 0.016491 -0.021764 0.003150 0.022292 0.000574 1Rh 1f-3 -0.016073 0.000594 -0.007347 0.014089 0.019510 -0.003949 2C 1s -0.000370 -0.004209 -0.003696 -0.018106 0.018529 0.002278 2C 2s -0.002050 -0.008610 -0.012331 -0.048985 0.050760 0.006176 2C 3s 0.244857 -0.132290 0.216225 0.004542 0.138817 0.074533 2C 4s -1.097085 0.935394 -0.946046 0.883854 -1.833150 -0.455078 2C 5s -1.085248 -1.189032 0.372540 -2.592211 2.805622 0.146089 2C 1pz 0.055158 -0.055181 0.042171 -0.030235 0.036062 0.037077 2C 1px 0.008719 -0.043935 0.007529 -0.027955 0.009531 0.005343 2C 1py 0.094253 -0.060548 0.041069 -0.023572 0.018702 -0.017414 2C 2pz -0.369510 -0.045152 -0.781873 -0.717534 0.261307 -0.135770 2C 2px -0.042449 0.114660 0.004738 0.056379 -0.075620 -0.049363 2C 2py -0.669036 0.499961 -0.444720 -0.406116 0.056840 0.045225 2C 3pz -0.279634 -0.255323 -0.007147 -0.500328 0.416099 -0.057533 2C 3px -0.090038 -0.087370 0.140748 0.012451 0.044924 0.105197 2C 3py -0.296181 -0.104218 0.067366 -0.307730 0.294998 -0.021918 2C 1dz2 -0.024233 0.020885 -0.008780 0.015380 0.019937 0.102998 2C 1dxz 0.048061 -0.049465 0.022851 -0.012960 -0.021087 -0.072766 2C 1dyz 0.014961 -0.066528 -0.007129 -0.065869 -0.002542 -0.072434 2C 1dx2y2 -0.029258 -0.105176 -0.031399 -0.093837 -0.030271 -0.097588 2C 1dxy -0.140643 -0.009423 -0.032162 -0.055870 -0.009889 0.045078 2C 2dz2 -0.050307 -0.056564 -0.187824 -0.258537 0.113733 -0.049887 2C 2dxz -0.271877 0.278886 -0.232365 -0.187800 0.093402 0.078796 2C 2dyz -0.236692 0.124178 -0.112882 -0.159192 0.062295 0.070989 2C 2dx2y2 -0.025266 0.226669 0.301860 0.369965 -0.141915 0.194416 2C 2dxy 0.354216 -0.364163 -0.078726 -0.046001 0.038878 -0.212705 2C 1f0 -0.070194 0.111999 0.068867 0.060088 -0.017230 0.041731 2C 1f+1 0.019458 0.067381 -0.065533 -0.067585 0.049923 -0.061761 2C 1f-1 -0.019913 -0.060830 0.027933 -0.088273 -0.012697 -0.028189 2C 1f+2 -0.035741 0.083597 0.024800 -0.005598 0.012082 -0.036964 2C 1f-2 -0.061810 -0.021982 -0.131653 -0.041804 0.006487 -0.005477 2C 1f+3 0.001294 -0.111942 -0.098194 -0.146857 0.113619 0.049535 2C 1f-3 0.039551 -0.002644 0.004605 -0.011799 0.046573 0.056461 3C 1s 0.002444 -0.000166 0.001037 0.017641 0.019693 0.010201 3C 2s 0.010813 0.002920 0.000669 0.046689 0.053874 0.028691 3C 3s -0.409610 -0.226983 0.286455 0.078440 0.162837 -0.124471 3C 4s 2.158695 1.253257 -1.508372 -1.283368 -2.047762 -0.023857 3C 5s -0.990468 -0.379781 0.363627 2.590401 2.879954 0.834416 3C 1pz -0.097329 -0.053126 0.063313 0.017535 0.035196 -0.042073 3C 1px -0.070642 -0.045740 0.036645 0.042166 0.017873 -0.006001 3C 1py 0.084373 0.082210 -0.070479 -0.072809 -0.034140 0.007082 3C 2pz 1.316536 0.640820 -0.556606 0.265240 0.018964 0.384413 3C 2px 0.699246 0.377376 -0.149052 -0.088834 -0.098073 0.086623 3C 2py -1.038093 -0.422343 0.737530 -0.499998 -0.220568 -0.623497 3C 3pz -0.037121 0.023939 -0.071393 0.309854 0.283242 0.039596 3C 3px 0.000832 0.023837 0.114757 0.164238 0.088205 0.136757 3C 3py 0.208435 0.086437 0.016852 -0.452213 -0.419627 -0.142854 3C 1dz2 -0.116846 0.010870 0.054484 -0.073066 0.058383 -0.078210 3C 1dxz 0.059208 0.042038 0.030760 -0.027934 -0.008756 0.039339 3C 1dyz -0.034701 0.000652 0.021270 -0.050040 -0.014881 -0.044207 3C 1dx2y2 0.042113 0.015443 -0.055725 0.007915 -0.004760 -0.011458 3C 1dxy 0.101851 0.053263 0.002898 -0.013764 -0.032956 0.057967 3C 2dz2 0.342458 0.193160 -0.010136 -0.028554 -0.104825 0.016991 3C 2dxz -0.096189 -0.131493 -0.317373 0.314269 0.227405 -0.002436 3C 2dyz -0.103184 0.040155 0.046366 -0.133272 -0.019950 -0.202904 3C 2dx2y2 -0.654388 -0.339565 0.261521 -0.206896 -0.101463 -0.214361 3C 2dxy -0.635139 -0.323900 0.155930 -0.048916 -0.002207 -0.130751 3C 1f0 -0.034035 0.076108 0.036131 -0.170616 -0.050788 -0.127070 3C 1f+1 -0.006866 -0.008116 0.019897 0.002390 -0.002233 0.041187 3C 1f-1 0.120878 0.109271 -0.085212 -0.049177 -0.012341 -0.022817 3C 1f+2 -0.028324 -0.012329 -0.060861 0.072925 0.105265 0.010379 3C 1f-2 0.015982 0.068002 0.113301 -0.087550 -0.019893 -0.059370 3C 1f+3 0.052184 0.024250 -0.050606 0.068427 0.072685 -0.025242 3C 1f-3 -0.089170 -0.090696 -0.089508 0.016369 -0.002998 0.010461 4C 1s 0.000079 -0.011833 0.000677 -0.008453 -0.000456 -0.000451 4C 2s 0.002417 -0.037609 0.003552 -0.029441 0.003278 -0.000711 4C 3s -0.552931 -0.077142 -0.128946 0.200213 -0.514944 -0.219847 4C 4s 2.460445 1.147785 0.686252 -0.099708 2.421132 0.975712 4C 5s 1.451518 1.284274 -0.088205 1.130385 -0.814802 0.427536 4C 1pz 0.000072 -0.066523 0.085873 -0.043606 0.095956 0.015708 4C 1px -0.010751 0.020747 -0.066049 0.065292 -0.023653 -0.031140 4C 1py -0.018840 -0.027865 0.033912 -0.003471 0.047704 -0.005036 4C 2pz 0.005463 0.909814 -0.743064 -0.157757 0.237398 0.187247 4C 2px 0.072130 0.101445 -0.344143 -0.479511 0.195426 -0.203827 4C 2py 0.085293 0.584187 -0.580303 -0.254449 0.211451 0.025358 4C 3pz -0.569182 -0.355358 0.228067 -1.446341 1.411672 0.086994 4C 3px -0.001217 0.143963 0.143979 -0.314971 0.204945 -0.083665 4C 3py -0.242115 -0.300615 0.098426 -0.998602 0.871623 0.172801 4C 1dz2 0.137372 -0.289980 -0.176895 -0.189664 0.145873 -0.008669 4C 1dxz 0.216741 0.061934 0.224318 0.087227 -0.028338 -0.038187 4C 1dyz -0.115231 0.002669 -0.005586 -0.220928 0.024808 -0.095787 4C 1dx2y2 0.040587 -0.192170 0.117642 -0.001082 -0.193471 -0.250462 4C 1dxy -0.207738 -0.209457 -0.005263 -0.030832 0.068631 0.255795 4C 2dz2 -0.038233 0.149958 0.585119 0.407847 -0.162655 0.116390 4C 2dxz -0.228842 -0.474601 -0.412277 -0.225368 -0.073257 -0.305485 4C 2dyz 0.441314 -0.090434 0.193588 0.265674 0.225623 0.198497 4C 2dx2y2 0.260329 0.477198 -0.355395 -0.150316 0.512390 0.327062 4C 2dxy 0.225929 0.577466 -0.137795 -0.061225 0.100398 -0.328558 4C 1f0 0.001483 -0.029341 0.067978 0.002039 -0.078292 -0.128557 4C 1f+1 -0.172645 -0.197901 -0.060744 -0.091067 -0.068338 -0.013691 4C 1f-1 -0.013509 -0.041004 0.036124 -0.022112 0.039025 0.081496 4C 1f+2 0.048416 0.156531 0.056051 0.061710 0.062479 0.091813 4C 1f-2 0.016404 -0.010990 -0.047856 -0.059962 0.013652 -0.123267 4C 1f+3 0.090478 0.002633 0.096303 0.010628 -0.045436 -0.096623 4C 1f-3 -0.103437 -0.098095 0.081287 -0.008084 -0.098664 -0.027402 5C 1s -0.003639 -0.009691 0.001056 0.011128 -0.000193 0.003272 5C 2s -0.015597 -0.030902 0.006129 0.038103 0.004250 0.009353 5C 3s 0.191294 -0.043250 -0.376444 -0.219096 -0.525283 0.321608 5C 4s -0.918904 0.731180 1.682999 0.027097 2.468384 -1.782814 5C 5s 0.528077 0.812840 0.310028 -1.259406 -0.851998 -1.220360 5C 1pz -0.074235 -0.050784 0.063389 0.039019 0.070589 0.034479 5C 1px -0.053626 -0.011712 -0.052815 -0.024589 -0.010665 -0.059459 5C 1py 0.159841 0.081040 -0.080668 -0.049496 -0.106218 -0.044780 5C 2pz 1.037149 0.757124 -0.329143 -0.134408 -0.000449 0.037615 5C 2px 0.630184 0.370638 -0.399324 0.145897 0.396280 -0.165433 5C 2py -1.836464 -1.217655 0.628208 0.105360 -0.099952 -0.025899 5C 3pz -0.271885 0.038975 0.141351 0.844308 0.787425 0.122836 5C 3px -0.232347 -0.012393 0.260322 0.379512 0.513612 -0.246109 5C 3py 0.496019 -0.235622 -0.202044 -1.453467 -1.384488 0.001081 5C 1dz2 0.246654 0.315766 0.010955 -0.221534 0.032986 -0.242026 5C 1dxz 0.263597 0.088901 -0.038050 0.134018 0.082648 0.268770 5C 1dyz -0.138898 0.018718 0.161512 -0.273337 -0.086892 -0.171361 5C 1dx2y2 0.103803 0.084905 0.023080 -0.104719 -0.173398 0.081983 5C 1dxy -0.001294 -0.072598 -0.259066 0.108507 0.028432 0.112340 5C 2dz2 -0.361795 -0.593207 -0.058055 0.289568 -0.301214 0.541214 5C 2dxz -0.383631 -0.300872 0.023370 -0.195539 -0.219371 -0.307582 5C 2dyz 0.385919 -0.061369 -0.580963 0.336752 -0.130868 0.319598 5C 2dx2y2 0.572669 0.463284 -0.365365 0.110774 0.378989 -0.317564 5C 2dxy 0.527862 0.463320 0.453259 -0.262885 -0.278466 0.091154 5C 1f0 0.041147 -0.044390 -0.133373 0.068351 -0.026336 0.127518 5C 1f+1 -0.043281 -0.054844 0.048372 -0.011731 -0.072060 0.020903 5C 1f-1 -0.008995 0.030649 -0.018829 -0.012804 0.015959 -0.102404 5C 1f+2 -0.024550 0.012331 0.004233 -0.058232 -0.033674 -0.051067 5C 1f-2 0.087381 0.122552 0.118480 -0.085336 0.013786 0.019835 5C 1f+3 0.010692 -0.132636 -0.063403 0.135035 -0.054131 0.186294 5C 1f-3 0.053964 0.120391 -0.001825 -0.041361 0.115988 -0.055850 6C 1s 0.003833 -0.009552 -0.000730 0.011225 -0.000495 -0.003193 6C 2s 0.016188 -0.030254 -0.005018 0.038431 0.003292 -0.009492 6C 3s -0.188500 -0.075927 0.371489 -0.223032 -0.542286 -0.280497 6C 4s 0.888161 0.877411 -1.690504 0.031854 2.570374 1.584303 6C 5s -0.552099 0.866173 -0.343086 -1.259941 -0.759132 1.279834 6C 1pz -0.073198 0.048667 0.062713 -0.040463 -0.066540 0.040447 6C 1px -0.052335 0.010626 -0.052421 0.029861 0.007164 -0.060970 6C 1py 0.158094 -0.076572 -0.079703 0.050463 0.100188 -0.053487 6C 2pz 1.027843 -0.731892 -0.329844 0.126185 -0.006936 0.032953 6C 2px 0.623265 -0.353209 -0.400328 -0.150691 -0.423909 -0.114490 6C 2py -1.820970 1.173044 0.631117 -0.092218 0.117647 -0.030821 6C 3pz -0.286315 -0.040247 0.115192 -0.847086 -0.769559 0.176425 6C 3px -0.234677 0.011026 0.248323 -0.384373 -0.527446 -0.187796 6C 3py 0.520172 0.234194 -0.158769 1.451438 1.374891 -0.101200 6C 1dz2 -0.251934 0.310289 -0.016440 -0.224230 0.054341 0.228720 6C 1dxz -0.262344 0.092336 0.039788 0.138022 0.058771 -0.258071 6C 1dyz 0.134376 0.027031 -0.169669 -0.273899 -0.074975 0.177374 6C 1dx2y2 -0.104682 0.076782 -0.025747 -0.104993 -0.179597 -0.066372 6C 1dxy 0.003377 -0.070171 0.258209 0.101931 0.020287 -0.102842 6C 2dz2 0.371155 -0.594118 0.064268 0.294656 -0.346569 -0.498858 6C 2dxz 0.373706 -0.304103 -0.026025 -0.205193 -0.191807 0.298687 6C 2dyz -0.374299 -0.093405 0.590924 0.332847 -0.145589 -0.313118 6C 2dx2y2 -0.565710 0.454833 0.367629 0.108841 0.413387 0.278961 6C 2dxy -0.530563 0.447614 -0.449943 -0.241827 -0.285529 -0.072676 6C 1f0 0.039853 0.045827 -0.134376 -0.066425 0.035924 0.119476 6C 1f+1 -0.043802 0.058856 0.047013 0.010434 0.073910 0.019908 6C 1f-1 -0.009134 -0.028911 -0.018746 0.015254 -0.025184 -0.096283 6C 1f+2 -0.024897 -0.009989 0.005536 0.058166 0.028760 -0.049892 6C 1f-2 0.089844 -0.125747 0.121300 0.082045 -0.010584 0.016451 6C 1f+3 0.007946 0.134981 -0.066638 -0.136682 0.069370 0.175576 6C 1f-3 0.056393 -0.124352 -0.000383 0.041989 -0.119373 -0.047302 7C 1s -0.000010 -0.011636 -0.001021 -0.008360 -0.000420 0.000380 7C 2s -0.002177 -0.036762 -0.004754 -0.028981 0.003250 0.000058 7C 3s 0.551715 -0.090616 0.139980 0.178348 -0.486142 0.261563 7C 4s -2.453555 1.211767 -0.705176 -0.000380 2.288106 -1.163918 7C 5s -1.451818 1.257524 0.133208 1.141909 -0.859333 -0.341763 7C 1pz -0.002987 0.057246 0.088176 0.037443 -0.092434 0.026121 7C 1px -0.011143 -0.021607 -0.068316 -0.063534 0.021856 -0.035068 7C 1py -0.020964 0.022894 0.034853 0.000422 -0.046710 -0.000241 7C 2pz 0.044962 -0.809726 -0.742613 0.207204 -0.240912 0.184748 7C 2px 0.077586 -0.086656 -0.329056 0.499306 -0.219312 -0.158494 7C 2py 0.111000 -0.523281 -0.578342 0.293927 -0.224126 0.039674 7C 3pz -0.547919 0.322271 0.283864 1.427074 -1.392460 0.206227 7C 3px 0.003558 -0.147838 0.148474 0.308437 -0.210989 -0.048992 7C 3py -0.228129 0.287887 0.133556 0.991726 -0.855720 0.251224 7C 1dz2 -0.141129 -0.282776 0.168808 -0.190268 0.145502 -0.007736 7C 1dxz -0.217045 0.059686 -0.218785 0.096851 -0.026530 0.047579 7C 1dyz 0.115223 -0.007033 -0.001234 -0.226640 0.035894 0.093103 7C 1dx2y2 -0.039480 -0.187022 -0.114306 -0.000696 -0.171257 0.268733 7C 1dxy 0.204869 -0.203079 0.000945 -0.025375 0.045705 -0.264719 7C 2dz2 0.055298 0.166104 -0.568180 0.429885 -0.180229 -0.089201 7C 2dxz 0.239122 -0.447649 0.399981 -0.238751 -0.050167 0.282240 7C 2dyz -0.435471 -0.053859 -0.190862 0.294300 0.196394 -0.219679 7C 2dx2y2 -0.276443 0.452704 0.345058 -0.156390 0.481307 -0.366238 7C 2dxy -0.221279 0.564350 0.143853 -0.076755 0.131564 0.315237 7C 1f0 0.000656 0.029097 0.067326 -0.001955 0.066628 -0.137083 7C 1f+1 -0.173122 0.195730 -0.057372 0.095418 0.064604 -0.014511 7C 1f-1 -0.013212 0.038750 0.037394 0.018875 -0.031404 0.084726 7C 1f+2 0.048925 -0.154867 0.053993 -0.066206 -0.053042 0.095553 7C 1f-2 0.014167 0.011906 -0.046357 0.063632 -0.024317 -0.120819 7C 1f+3 0.090568 -0.000805 0.094628 -0.011853 0.036435 -0.102131 7C 1f-3 -0.104980 0.098089 0.080704 0.006962 0.096334 -0.035943 8C 1s -0.002347 -0.000052 -0.000457 0.017981 0.018736 -0.011749 8C 2s -0.010547 0.003090 0.000893 0.047628 0.051247 -0.032930 8C 3s 0.404707 -0.205014 -0.286168 0.078258 0.165426 0.111827 8C 4s -2.133741 1.133378 1.477389 -1.298075 -1.998359 0.184779 8C 5s 1.023150 -0.387217 -0.290426 2.603886 2.794968 -1.052512 8C 1pz -0.096965 0.048391 0.063024 -0.017326 -0.036960 -0.038643 8C 1px -0.070883 0.043295 0.034925 -0.043424 -0.017290 -0.003756 8C 1py 0.083528 -0.075797 -0.068764 0.073384 0.032671 0.005380 8C 2pz 1.303024 -0.592552 -0.565946 -0.274151 -0.002545 0.382786 8C 2px 0.696355 -0.348926 -0.150514 0.083871 0.096898 0.086479 8C 2py -1.015558 0.373605 0.758198 0.514586 0.187188 -0.638801 8C 3pz -0.042264 -0.016795 -0.079825 -0.308677 -0.280350 0.062104 8C 3px -0.004012 -0.021136 0.110436 -0.166720 -0.075170 0.135290 8C 3py 0.216453 -0.094680 0.030708 0.452174 0.406967 -0.176289 8C 1dz2 0.114846 0.014708 -0.056850 -0.075200 0.063090 0.070645 8C 1dxz -0.063034 0.043867 -0.031132 -0.027102 -0.013210 -0.034668 8C 1dyz 0.032617 0.002583 -0.022912 -0.050886 -0.012009 0.044609 8C 1dx2y2 -0.039663 0.010251 0.056928 0.007980 -0.002391 0.007898 8C 1dxy -0.103821 0.054794 -0.004008 -0.013315 -0.037315 -0.046724 8C 2dz2 -0.342528 0.184173 0.012608 -0.024173 -0.101967 -0.005699 8C 2dxz 0.116056 -0.140078 0.321773 0.310988 0.232253 -0.019586 8C 2dyz 0.102965 0.045030 -0.051736 -0.139190 -0.004335 0.203592 8C 2dx2y2 0.642298 -0.312869 -0.271426 -0.215658 -0.092143 0.223255 8C 2dxy 0.638078 -0.309449 -0.160366 -0.053171 0.002084 0.127536 8C 1f0 -0.031183 -0.076464 0.041049 0.173708 0.040709 -0.127765 8C 1f+1 -0.006336 0.006167 0.020043 -0.005846 0.004691 0.038295 8C 1f-1 0.121148 -0.104633 -0.082364 0.052091 0.008548 -0.024989 8C 1f+2 -0.028676 0.009008 -0.061902 -0.070748 -0.103810 0.015336 8C 1f-2 0.018065 -0.066942 0.114440 0.084669 0.014894 -0.056009 8C 1f+3 0.051209 -0.022320 -0.052741 -0.069033 -0.076758 -0.016571 8C 1f-3 -0.089492 0.089440 -0.088643 -0.014406 0.002500 0.009178 9C 1s 0.000329 -0.004211 0.002992 -0.018029 0.018287 -0.004056 9C 2s 0.001871 -0.008836 0.010451 -0.048932 0.050157 -0.011024 9C 3s -0.236590 -0.108842 -0.219177 0.024127 0.124768 -0.087625 9C 4s 1.050760 0.804358 0.996228 0.777992 -1.750476 0.631987 9C 5s 1.067392 -1.127687 -0.476095 -2.561968 2.780802 -0.398699 9C 1pz 0.052730 0.048498 0.043899 0.024783 -0.031341 0.041956 9C 1px 0.007317 0.043057 0.008635 0.027352 -0.009298 0.006462 9C 1py 0.092679 0.056596 0.042635 0.020086 -0.018195 -0.016710 9C 2pz -0.336858 0.111523 -0.760250 0.768351 -0.290984 -0.117283 9C 2px -0.036664 -0.101876 -0.002229 -0.054779 0.069996 -0.052901 9C 2py -0.650198 -0.433819 -0.436090 0.448545 -0.075924 0.051917 9C 3pz -0.272328 0.248128 0.009874 0.501630 -0.421155 -0.018937 9C 3px -0.086811 0.081935 0.141727 -0.021691 -0.032484 0.103515 9C 3py -0.293620 0.099517 0.079922 0.307624 -0.297965 0.005023 9C 1dz2 0.023673 0.022553 0.008709 0.017336 0.012524 -0.104617 9C 1dxz -0.046632 -0.046698 -0.022978 -0.010564 -0.015539 0.071326 9C 1dyz -0.014903 -0.067293 0.004285 -0.066466 0.002590 0.072391 9C 1dx2y2 0.026967 -0.107834 0.028453 -0.096738 -0.018984 0.096573 9C 1dxy 0.141763 -0.015653 0.031763 -0.061586 -0.010108 -0.047309 9C 2dz2 0.040220 -0.076962 0.177808 -0.269152 0.120667 0.042787 9C 2dxz 0.265297 0.255375 0.228748 -0.206619 0.094616 -0.088847 9C 2dyz 0.234082 0.105522 0.112303 -0.173347 0.065481 -0.078068 9C 2dx2y2 0.042646 0.246073 -0.287416 0.385914 -0.164386 -0.181268 9C 2dxy -0.355985 -0.342533 0.068957 -0.034014 0.046493 0.204841 9C 1f0 -0.070385 -0.108927 0.066847 -0.062150 0.020983 0.039358 9C 1f+1 0.020432 -0.064382 -0.061671 0.070620 -0.054709 -0.059294 9C 1f-1 -0.020581 0.062944 0.030564 0.089053 0.008345 -0.028160 9C 1f+2 -0.035920 -0.081885 0.025151 0.008107 -0.016861 -0.036001 9C 1f-2 -0.060344 0.021724 -0.128824 0.049190 -0.009021 -0.004916 9C 1f+3 0.002097 0.109897 -0.092002 0.147151 -0.108061 0.060650 9C 1f-3 0.041063 0.005391 0.002962 0.014269 -0.044733 0.060951 10H 1s -0.021607 0.003064 -0.053173 -0.023692 -0.026819 -0.040869 10H 2s 0.084606 -0.299358 -0.376797 -0.895466 0.775879 0.023429 10H 3s 0.040821 0.163105 -0.070119 0.271282 -0.357110 -0.096639 10H 1pz 0.086982 -0.182410 -0.125558 -0.301018 0.249551 -0.044705 10H 1px -0.008205 0.041008 0.079804 0.270555 -0.288575 -0.060093 10H 1py -0.092818 0.023872 -0.068955 -0.127795 0.113785 0.075685 11H 1s 0.084784 -0.041940 0.033264 0.072884 -0.053813 -0.054795 11H 2s 0.451626 -0.569391 0.023859 -0.527073 0.607044 -0.003226 11H 3s -0.019586 0.133308 -0.010365 0.301394 -0.409622 -0.017109 11H 1pz 0.180063 -0.284043 0.013607 -0.215126 0.203429 0.005157 11H 1px 0.042312 -0.116248 0.009461 -0.154847 0.206254 0.081024 11H 1py 0.017882 0.015325 0.063889 0.163360 -0.152271 0.016561 12H 1s -0.122971 0.120051 0.019650 0.079842 -0.038299 0.084278 12H 2s -0.172718 0.264751 0.116453 -0.466364 0.491901 0.266742 12H 3s -0.003943 0.061740 0.000536 0.293779 -0.366139 -0.055106 12H 1pz -0.051123 0.076735 0.106199 0.100608 -0.094581 0.000835 12H 1px 0.031639 0.004738 0.071884 -0.059934 0.098824 0.037672 12H 1py -0.057536 0.056648 0.043641 -0.261466 0.240221 0.059509 13H 1s 0.027444 0.033213 -0.069399 -0.002234 -0.024342 -0.021970 13H 2s 0.160019 -0.069788 -0.201507 0.878119 0.852693 0.321987 13H 3s 0.049869 0.083763 -0.109349 -0.305549 -0.370851 -0.164559 13H 1pz 0.152670 0.035011 -0.055922 0.295394 0.276968 0.165755 13H 1px 0.010865 0.028654 -0.018010 -0.197982 -0.243947 -0.075814 13H 1py 0.108799 0.105912 0.067779 -0.244711 -0.214404 -0.047992 14H 1s 0.161510 0.095255 -0.008371 -0.072009 -0.072881 0.043547 14H 2s 0.527342 0.276203 0.265882 0.405995 0.452918 0.240095 14H 3s 0.059474 0.034268 -0.043597 -0.254883 -0.381673 -0.105640 14H 1pz 0.150252 0.082227 0.040948 0.142781 0.143879 0.041023 14H 1px 0.087213 0.038303 0.144412 0.187329 0.235539 0.096795 14H 1py -0.025765 -0.031324 -0.093553 0.088319 0.091392 0.071529 15H 1s -0.115124 -0.056327 0.028725 -0.081460 -0.034995 -0.047869 15H 2s -0.653806 -0.482577 0.265538 0.664564 0.684472 0.264455 15H 3s 0.128329 0.070684 -0.066848 -0.308916 -0.437299 -0.092252 15H 1pz -0.059755 -0.008139 0.007960 -0.193482 -0.213440 -0.123712 15H 1px -0.052172 -0.059402 0.058272 0.056083 0.040524 0.077134 15H 1py 0.316562 0.261691 -0.120380 -0.312656 -0.275529 -0.126930 16H 1s 0.005831 0.019836 -0.016395 0.015117 -0.007342 0.007858 16H 2s -0.001979 -0.298642 -0.059292 0.056681 0.183725 -0.072931 16H 3s 0.023523 0.031507 0.091448 0.012326 -0.090691 0.040817 16H 1pz 0.010863 -0.120095 -0.036838 0.024254 0.075211 -0.027025 16H 1px 0.002583 -0.014305 0.014566 0.011192 0.026266 0.014978 16H 1py 0.009805 -0.015041 0.005725 0.000682 0.002215 -0.001713 17H 1s -0.011246 0.011918 -0.012155 -0.006790 -0.000487 -0.013156 17H 2s 0.012596 -0.274363 -0.068939 0.023708 0.175696 -0.012817 17H 3s 0.018337 0.022292 0.082746 -0.004309 -0.080273 0.018619 17H 1pz 0.011875 0.091239 0.017362 -0.020470 -0.066261 0.010282 17H 1px -0.013500 0.056950 0.045125 -0.002611 -0.021457 0.005114 17H 1py -0.001661 -0.030778 -0.003211 -0.005743 0.016342 0.007088 18H 1s 0.010935 0.011998 0.011889 -0.007766 0.000545 0.012950 18H 2s -0.012169 -0.274586 0.069499 0.021160 0.171755 -0.002906 18H 3s -0.019751 0.022507 -0.082132 -0.001411 -0.081038 -0.012867 18H 1pz 0.012440 -0.092506 0.018343 0.018901 0.066047 0.005648 18H 1px -0.013920 -0.057164 0.045996 0.001402 0.020832 0.002932 18H 1py -0.001148 0.028396 -0.002713 0.005948 -0.013429 0.008693 19H 1s -0.005682 0.019269 0.016779 0.014953 -0.007903 -0.006005 19H 2s 0.007387 -0.301357 0.059955 0.051118 0.186530 0.059370 19H 3s -0.022973 0.031249 -0.090365 0.016656 -0.092689 -0.032195 19H 1pz 0.008272 0.120886 -0.036538 -0.021726 -0.075676 -0.020856 19H 1px 0.002219 0.014048 0.015475 -0.011487 -0.024141 0.016368 19H 1py 0.008993 0.018896 0.004338 -0.001097 -0.004330 -0.002651 20H 1s 0.115139 -0.054576 -0.031576 -0.082347 -0.031536 0.049368 20H 2s 0.654554 -0.452309 -0.244763 0.675282 0.652027 -0.317897 20H 3s -0.129540 0.064292 0.058023 -0.312762 -0.426719 0.125682 20H 1pz -0.058396 0.008689 0.014402 0.197882 0.203001 -0.139628 20H 1px -0.052050 0.055246 0.057520 -0.059700 -0.034465 0.077421 20H 1py 0.317448 -0.247945 -0.110647 0.317172 0.259448 -0.148118 21H 1s -0.163239 0.091887 0.006204 -0.071866 -0.075553 -0.034698 21H 2s -0.531474 0.273052 -0.248315 0.422969 0.429412 -0.278801 21H 3s -0.059293 0.032260 0.035857 -0.258227 -0.371451 0.138459 21H 1pz 0.150760 -0.079686 0.035871 -0.148242 -0.141409 0.056764 21H 1px 0.087648 -0.039939 0.136841 -0.193270 -0.223742 0.116614 21H 1py -0.028054 0.031456 -0.095228 -0.089109 -0.086602 0.077782 22H 1s -0.026155 0.029337 0.069390 -0.002925 -0.020923 0.021932 22H 2s -0.147212 -0.065202 0.224389 0.886364 0.824622 -0.386428 22H 3s -0.053543 0.079596 0.101870 -0.310814 -0.353723 0.190203 22H 1pz 0.150385 -0.035868 -0.063925 -0.297359 -0.260981 0.182679 22H 1px 0.011462 -0.024550 -0.012354 0.201755 0.236760 -0.096238 22H 1py 0.113094 -0.102740 0.073534 0.246389 0.211586 -0.064891 23H 1s 0.123036 0.117056 -0.016202 0.079549 -0.043846 -0.081134 23H 2s 0.176814 0.251195 -0.131359 -0.460452 0.472476 -0.313762 23H 3s 0.003433 0.058153 0.011600 0.291003 -0.361064 0.089324 23H 1pz -0.053269 -0.077763 0.101271 -0.103964 0.095520 -0.007282 23H 1px 0.031048 -0.005745 0.073813 0.051288 -0.090862 0.043420 23H 1py -0.059653 -0.052191 0.053856 0.259536 -0.237025 0.083786 24H 1s -0.085561 -0.039711 -0.031061 0.074373 -0.050574 0.061902 24H 2s -0.449892 -0.543385 -0.044932 -0.506110 0.595532 -0.054987 24H 3s 0.018476 0.125907 0.022545 0.296593 -0.404731 0.054158 24H 1pz 0.178132 0.271031 0.021821 0.205314 -0.197731 0.026507 24H 1px 0.042966 0.111730 0.016104 0.151576 -0.200081 0.100487 24H 1py 0.017992 -0.016957 0.058430 -0.164435 0.152012 0.003061 25H 1s 0.020835 -0.000646 0.052516 -0.028400 -0.021620 0.042486 25H 2s -0.091337 -0.301258 0.338917 -0.901870 0.773622 -0.099431 25H 3s -0.039752 0.154365 0.083321 0.262601 -0.345479 0.128103 25H 1pz 0.089510 0.179532 -0.112294 0.304412 -0.253959 -0.021305 25H 1px -0.008176 -0.039862 0.068510 -0.268853 0.282194 -0.088804 25H 1py -0.092745 -0.021615 -0.063523 0.128003 -0.105802 0.085409 26O 1s 0.002077 0.003165 -0.016354 -0.006789 0.014350 -0.009417 26O 2s 0.008032 0.009793 -0.056448 -0.023645 0.051291 -0.032019 26O 3s -0.013957 0.010663 0.346309 0.165252 -0.332927 0.222447 26O 4s -0.204117 -0.384864 -0.080109 -0.161903 0.386880 -0.264117 26O 5s -0.916226 -0.787039 0.407043 0.930451 -1.932332 -0.087386 26O 1pz 0.054371 -0.029697 0.088308 0.012269 0.015318 -0.034427 26O 1px -0.080009 -0.162280 0.215818 0.030744 -0.199338 0.027659 26O 1py -0.127311 0.069653 0.131867 0.058489 -0.060041 0.137921 26O 2pz -0.042788 0.101166 -0.132697 -0.056278 0.032942 0.050795 26O 2px 0.370715 0.584880 -0.591638 -0.141233 0.579300 -0.087859 26O 2py 0.269304 -0.002408 -0.357568 -0.173331 0.275273 -0.156609 26O 3pz 0.169136 0.218785 0.356119 0.422800 -0.377561 0.062184 26O 3px 0.336755 0.306669 0.559037 -0.184734 0.235410 0.278245 26O 3py 0.110312 0.238070 0.328325 0.165179 0.041287 0.393086 26O 1dz2 0.005035 0.000817 -0.007366 -0.001808 0.000302 -0.003272 26O 1dxz -0.001037 0.000627 0.001438 0.003439 -0.001907 0.000895 26O 1dyz -0.003787 -0.000650 0.002617 0.003011 -0.006692 0.001098 26O 1dx2y2 -0.006050 -0.009664 0.009750 -0.001555 -0.007180 -0.000319 26O 1dxy -0.010141 -0.004298 0.013026 0.003514 -0.011077 0.000654 26O 2dz2 0.043657 0.035570 -0.037357 0.009898 0.021392 -0.025842 26O 2dxz 0.057823 -0.030125 -0.058272 -0.033854 0.065027 -0.000772 26O 2dyz -0.047338 0.011704 -0.031760 0.009288 -0.025809 -0.015360 26O 2dx2y2 -0.033147 -0.179860 0.003761 -0.039361 -0.063792 0.017805 26O 2dxy -0.056328 -0.046318 0.037604 0.000026 -0.096639 -0.052636 26O 1f0 -0.020262 -0.001914 -0.004629 0.005872 -0.007264 0.001973 26O 1f+1 -0.003796 -0.003430 0.007709 -0.000087 -0.006280 -0.005294 26O 1f-1 0.008785 -0.004076 0.003673 -0.002578 -0.005081 -0.017347 26O 1f+2 0.023740 0.002049 0.009751 -0.002567 0.003425 -0.013914 26O 1f-2 0.012841 0.011297 0.007534 -0.006320 0.007620 -0.001007 26O 1f+3 -0.027611 0.000760 -0.014058 -0.005170 0.024420 0.043453 26O 1f-3 -0.005822 -0.015614 0.011800 0.004039 -0.017736 -0.017022 27O 1s 0.005085 0.002978 -0.016309 0.004935 0.016478 -0.011262 27O 2s 0.015282 0.009181 -0.055670 0.018242 0.058361 -0.038804 27O 3s -0.046135 0.007749 0.358924 -0.160713 -0.372137 0.214960 27O 4s -0.307711 -0.339062 -0.203310 0.359250 0.352219 -0.022084 27O 5s -0.256259 -1.023294 -0.149132 -0.649772 -1.958739 1.220371 27O 1pz 0.095886 0.112500 0.035182 -0.044742 0.003483 0.035714 27O 1px -0.050403 -0.104714 0.184676 -0.008739 -0.243891 0.194926 27O 1py 0.081430 -0.009821 -0.133514 0.021348 0.011887 0.051315 27O 2pz -0.115337 -0.191649 -0.071985 0.149462 0.021656 0.038717 27O 2px 0.298978 0.514934 -0.449171 -0.009192 0.740762 -0.636872 27O 2py -0.188700 -0.110564 0.196703 -0.036190 -0.106783 0.008731 27O 3pz 0.017262 -0.048241 0.004966 -0.144067 -0.180203 0.207313 27O 3px 0.139728 0.186167 0.737381 -0.076700 0.304940 -0.057132 27O 3py -0.098797 -0.021887 -0.510774 0.554321 0.294546 0.184181 27O 1dz2 0.000107 0.006137 -0.007773 0.001942 0.009144 -0.004648 27O 1dxz 0.004804 0.002680 -0.000026 -0.004873 -0.001112 -0.001419 27O 1dyz -0.003857 0.002288 -0.000283 0.001897 0.005843 -0.005946 27O 1dx2y2 -0.004319 -0.000746 0.008957 0.001074 -0.009865 0.009245 27O 1dxy -0.001296 0.001113 -0.001924 0.003936 0.006408 -0.007445 27O 2dz2 0.036519 0.097173 0.000689 -0.018326 0.065154 -0.045199 27O 2dxz 0.097879 0.082594 0.023770 -0.095454 0.012456 -0.099663 27O 2dyz -0.084842 -0.010083 0.026304 0.053121 0.049904 -0.026547 27O 2dx2y2 -0.037756 -0.059144 0.026077 0.054439 -0.119204 0.084590 27O 2dxy 0.005967 0.055894 0.061150 -0.032572 -0.048907 -0.055526 27O 1f0 -0.021365 -0.008117 0.008359 -0.019281 -0.010465 -0.020251 27O 1f+1 -0.009785 -0.013540 0.002193 -0.000754 -0.011433 0.006622 27O 1f-1 0.004028 0.007677 0.009156 -0.004628 0.003933 -0.009172 27O 1f+2 0.029337 0.005322 -0.006045 0.017717 0.007704 0.036137 27O 1f-2 -0.019665 -0.010526 0.006562 -0.005831 -0.000933 -0.014975 27O 1f+3 -0.012789 -0.003819 0.014815 -0.005051 -0.002514 -0.011136 27O 1f-3 0.000371 0.009464 0.020871 -0.004181 0.015192 -0.020387 28O 1s 0.005009 -0.003771 0.009489 -0.011876 0.020590 0.006932 28O 2s 0.017397 -0.013573 0.034255 -0.041102 0.071591 0.023898 28O 3s -0.068282 0.180344 -0.222027 0.331242 -0.479374 -0.118013 28O 4s -0.196499 -0.756587 0.109666 -0.874530 0.724930 -0.169000 28O 5s -0.625959 -0.597726 -0.073342 0.965697 -1.957215 -0.631461 28O 1pz -0.143662 -0.009474 -0.209542 -0.052745 -0.076600 -0.034258 28O 1px 0.057016 0.153899 0.092714 -0.006438 0.199392 0.171127 28O 1py 0.058044 -0.091595 -0.068941 -0.053021 0.027292 -0.150413 28O 2pz 0.397953 0.240929 0.373803 0.107963 0.310754 0.240742 28O 2px -0.297145 -0.598867 -0.302359 -0.155541 -0.454274 -0.493025 28O 2py -0.073801 0.259754 0.130244 0.065557 -0.019505 0.226235 28O 3pz 0.102456 -0.025495 -0.692021 0.104582 0.103637 0.075897 28O 3px -0.154849 -0.113669 0.288296 0.159149 -0.330459 0.127439 28O 3py 0.068885 0.072701 -0.081649 0.174506 -0.170519 -0.386483 28O 1dz2 -0.003628 -0.001230 -0.004534 0.000389 -0.000196 0.001446 28O 1dxz 0.010174 0.003904 0.011264 0.003360 0.008552 0.011140 28O 1dyz -0.002812 -0.004465 -0.007032 0.001781 -0.004421 -0.004662 28O 1dx2y2 -0.004390 -0.007474 -0.009156 -0.001665 -0.005294 -0.001265 28O 1dxy -0.002162 0.003771 0.001822 0.001912 -0.002346 0.000540 28O 2dz2 0.022587 0.078182 0.033056 0.068649 0.028589 0.049401 28O 2dxz 0.039720 0.036234 -0.029098 -0.022590 0.117196 0.072231 28O 2dyz 0.021162 -0.036554 -0.047175 0.049290 -0.012262 0.038968 28O 2dx2y2 -0.092500 -0.108000 -0.037808 -0.014252 -0.113556 -0.020877 28O 2dxy -0.069798 0.050402 0.025006 0.016514 -0.054082 -0.070431 28O 1f0 -0.013146 -0.011456 -0.022293 -0.014168 0.017595 0.020531 28O 1f+1 -0.012755 0.007687 0.020549 0.013615 -0.027972 -0.022260 28O 1f-1 0.011120 0.010259 0.000202 -0.007100 0.006843 -0.002891 28O 1f+2 0.007098 0.010430 0.002773 0.014010 -0.000781 0.009486 28O 1f-2 -0.012476 -0.027667 0.002579 0.005192 0.001646 0.022320 28O 1f+3 -0.008106 0.015817 0.007687 0.016748 -0.008400 0.012328 28O 1f-3 -0.008389 -0.018388 -0.008798 0.008034 -0.002570 0.009917 29O 1s -0.000063 -0.013679 0.001676 0.001226 0.013866 0.000941 29O 2s -0.000542 -0.045307 0.004903 0.003963 0.047091 0.002801 29O 3s 0.010450 0.264740 -0.021114 -0.021494 -0.307004 -0.013191 29O 4s -0.049884 -0.319038 -0.162338 0.031935 0.472614 -0.068313 29O 5s 0.095378 0.611052 0.866015 -0.107996 -0.640717 0.394936 29O 1pz 0.009461 0.033506 -0.044261 -0.005353 -0.039475 -0.015695 29O 1px 0.002375 -0.086361 0.154160 0.010822 0.092705 0.069241 29O 1py 0.009244 0.021574 0.101837 -0.002159 -0.051578 0.038494 29O 2pz -0.005087 -0.098946 0.059765 0.014980 0.098922 0.001243 29O 2px -0.000738 0.214419 -0.212092 -0.028669 -0.209833 -0.103940 29O 2py -0.009767 -0.123068 -0.205977 0.013214 0.137843 -0.075808 29O 3pz 0.011912 0.014503 0.084855 0.066652 -0.079615 0.045061 29O 3px -0.049710 -0.087511 -0.264673 0.031084 0.195643 -0.094842 29O 3py -0.009202 -0.160526 0.053558 0.037283 0.058065 -0.023678 29O 1dz2 -0.000868 -0.001786 -0.002234 0.001999 0.001185 -0.000991 29O 1dxz 0.001730 -0.001762 -0.003701 -0.001839 0.001990 -0.001125 29O 1dyz 0.001015 -0.001122 0.000606 -0.000368 0.000877 -0.001240 29O 1dx2y2 0.001133 0.001573 0.003649 -0.000304 -0.000790 0.000649 29O 1dxy 0.000126 0.002602 -0.000534 -0.001531 -0.001178 0.000526 29O 2dz2 -0.020299 0.018933 -0.012274 0.002892 -0.000962 -0.005959 29O 2dxz 0.010103 0.013418 -0.023943 -0.001043 0.004783 -0.009457 29O 2dyz 0.000957 0.017786 0.000565 -0.019723 -0.013833 -0.001220 29O 2dx2y2 0.013788 -0.012834 0.038814 0.003762 0.001641 0.011669 29O 2dxy -0.000094 -0.048283 -0.005623 0.004858 0.039165 0.004823 29O 1f0 0.000290 -0.006853 0.000556 -0.000595 0.003194 -0.000041 29O 1f+1 -0.001423 0.002902 0.000783 0.000585 -0.001206 0.001151 29O 1f-1 -0.000157 -0.008046 0.001967 -0.001056 0.004531 -0.001282 29O 1f+2 0.000127 0.001004 -0.001216 -0.000972 0.000474 -0.000109 29O 1f-2 0.001535 -0.005349 0.000806 0.002972 0.003042 0.001642 29O 1f+3 -0.001278 -0.001916 -0.002698 0.000759 0.001531 -0.001177 29O 1f-3 -0.000311 0.000367 0.002467 -0.000233 0.000723 -0.000488 30O 1s 0.006645 0.002175 0.008899 0.009547 0.018162 0.011423 30O 2s 0.021265 0.006001 0.032349 0.032867 0.063825 0.039271 30O 3s -0.087320 0.047919 -0.185268 -0.280300 -0.444451 -0.301443 30O 4s -0.271580 -0.570427 -0.084540 0.799312 0.815529 0.563156 30O 5s -0.444567 -0.841435 -0.408583 -0.747499 -1.878424 0.085101 30O 1pz -0.182258 -0.139685 -0.152289 0.077231 -0.028196 -0.111294 30O 1px 0.054103 0.080412 0.106976 -0.008948 0.182132 0.036961 30O 1py -0.020099 0.012509 0.197237 -0.049424 0.038935 -0.046795 30O 2pz 0.465637 0.489275 0.406019 -0.250693 0.120464 0.058201 30O 2px -0.243460 -0.402534 -0.388855 0.177209 -0.349019 -0.001629 30O 2py -0.092093 -0.209929 -0.415571 0.096577 -0.186392 0.123353 30O 3pz -0.095552 0.163008 -0.303457 -0.074437 0.046904 -0.490160 30O 3px -0.019121 -0.202225 0.171864 -0.286866 -0.307130 0.202508 30O 3py -0.071101 -0.028900 0.560874 -0.027389 0.006789 0.029036 30O 1dz2 -0.003199 0.001847 0.002994 -0.001398 0.004602 -0.003267 30O 1dxz 0.008115 0.008842 0.011885 -0.005790 0.003616 -0.001929 30O 1dyz 0.001021 0.003507 0.014808 -0.000529 0.007510 0.001504 30O 1dx2y2 -0.004277 -0.001275 -0.001347 0.000918 -0.002604 -0.003594 30O 1dxy -0.003371 -0.001131 -0.008495 0.001857 -0.002804 -0.004571 30O 2dz2 -0.050132 -0.007266 -0.005854 0.029243 0.068172 0.007808 30O 2dxz 0.061253 0.119266 0.052151 -0.048670 0.077628 -0.061236 30O 2dyz -0.007549 0.025572 0.023163 0.040938 0.073739 -0.022954 30O 2dx2y2 -0.069125 -0.069258 -0.072524 0.038197 -0.070738 -0.011599 30O 2dxy -0.027301 -0.013722 0.043356 -0.020835 -0.050276 -0.070798 30O 1f0 -0.013607 -0.012889 -0.004173 0.001175 -0.001686 -0.003852 30O 1f+1 -0.009133 -0.019657 -0.013838 0.013503 -0.008104 0.027387 30O 1f-1 -0.004089 -0.017800 -0.008353 0.015783 -0.001778 0.031315 30O 1f+2 0.003271 0.008056 0.008643 -0.026145 -0.021431 -0.008131 30O 1f-2 0.011588 0.018265 0.000320 -0.008022 0.006583 -0.015362 30O 1f+3 -0.011238 0.004634 0.010202 -0.023002 -0.020526 -0.015257 30O 1f-3 -0.012281 -0.005737 0.012832 -0.006648 -0.005538 -0.003720 31O 1s -0.006498 0.002293 -0.008616 0.010311 0.017252 -0.012817 31O 2s -0.020795 0.006484 -0.031379 0.035515 0.060662 -0.044220 31O 3s 0.083392 0.045153 0.177418 -0.297456 -0.420424 0.336863 31O 4s 0.282166 -0.568660 0.103084 0.812788 0.773056 -0.634074 31O 5s 0.434339 -0.876477 0.389400 -0.767574 -1.873868 0.048302 31O 1pz -0.186998 0.141209 -0.153087 -0.069550 0.017865 -0.111849 31O 1px 0.054402 -0.083490 0.107891 0.003795 -0.178368 0.049068 31O 1py -0.019884 -0.016040 0.198079 0.043681 -0.041092 -0.039392 31O 2pz 0.475965 -0.492625 0.408967 0.234238 -0.112784 0.067281 31O 2px -0.246633 0.413104 -0.393985 -0.162731 0.345076 -0.020318 31O 2py -0.091475 0.219462 -0.417508 -0.083271 0.192337 0.105659 31O 3pz -0.096091 -0.166715 -0.304854 0.092367 -0.088038 -0.477113 31O 3px -0.015012 0.212731 0.182435 0.278593 0.318777 0.184427 31O 3py -0.070220 0.034935 0.560599 0.011755 -0.003611 0.048557 31O 1dz2 0.003242 0.002011 -0.003058 -0.001325 0.004806 0.002695 31O 1dxz -0.008290 0.009012 -0.011982 -0.005341 0.003685 0.001520 31O 1dyz -0.001163 0.003916 -0.014764 -0.000081 0.007204 -0.002092 31O 1dx2y2 0.004331 -0.001248 0.001341 0.000705 -0.002299 0.003757 31O 1dxy 0.003447 -0.001408 0.008505 0.001455 -0.002339 0.004713 31O 2dz2 0.051890 -0.004203 0.005057 0.029781 0.066906 -0.011189 31O 2dxz -0.062876 0.119900 -0.052438 -0.047315 0.082641 0.052427 31O 2dyz 0.007688 0.026736 -0.021864 0.041225 0.075122 0.016099 31O 2dx2y2 0.071806 -0.073313 0.072845 0.034951 -0.068899 0.015082 31O 2dxy 0.025825 -0.014037 -0.043142 -0.022269 -0.044821 0.070887 31O 1f0 -0.013681 0.013303 -0.004206 -0.000960 0.001248 -0.003194 31O 1f+1 -0.009503 0.019145 -0.013982 -0.013377 0.010433 0.024869 31O 1f-1 -0.004300 0.017163 -0.008534 -0.015903 0.004572 0.029426 31O 1f+2 0.003741 -0.007483 0.009222 0.026289 0.020819 -0.009310 31O 1f-2 0.011709 -0.018391 0.000463 0.008118 -0.007804 -0.014569 31O 1f+3 -0.011095 -0.003956 0.010740 0.023283 0.019197 -0.016019 31O 1f-3 -0.012258 0.005225 0.013084 0.006542 0.005441 -0.004408 32O 1s 0.000221 -0.013743 -0.001669 0.001281 0.013505 -0.002042 32O 2s 0.001060 -0.045508 -0.004896 0.004119 0.045905 -0.006556 32O 3s -0.013446 0.265793 0.021341 -0.022160 -0.299893 0.037846 32O 4s 0.053354 -0.320830 0.161446 0.024690 0.469664 0.030080 32O 5s -0.101713 0.618161 -0.866955 -0.068711 -0.661370 -0.343421 32O 1pz 0.009171 -0.032264 -0.045925 0.006699 0.035500 -0.019159 32O 1px 0.000700 0.086676 0.154600 -0.017020 -0.085358 0.075197 32O 1py 0.009446 -0.021439 0.102083 -0.001541 0.054059 0.034041 32O 2pz -0.006633 0.095221 0.064226 -0.015272 -0.092239 0.010517 32O 2px 0.002271 -0.216315 -0.211930 0.037264 0.197709 -0.117808 32O 2py -0.010844 0.124115 -0.206853 -0.005492 -0.141825 -0.064549 32O 3pz 0.008313 -0.014405 0.080350 -0.069352 0.079707 0.030187 32O 3px -0.052441 0.089242 -0.265174 -0.019481 -0.200605 -0.082238 32O 3py -0.010202 0.160943 0.054752 -0.038037 -0.058331 -0.020596 32O 1dz2 0.000975 -0.001815 0.002275 0.001878 0.001242 0.001054 32O 1dxz -0.001740 -0.001781 0.003660 -0.001948 0.001989 0.000738 32O 1dyz -0.001007 -0.001099 -0.000628 -0.000380 0.000964 0.001059 32O 1dx2y2 -0.001146 0.001604 -0.003686 -0.000118 -0.000807 -0.000642 32O 1dxy -0.000131 0.002511 0.000542 -0.001566 -0.001197 -0.000565 32O 2dz2 0.019706 0.018974 0.011991 0.003005 0.000266 0.006600 32O 2dxz -0.009919 0.013993 0.023102 -0.002080 0.004625 0.008442 32O 2dyz -0.002063 0.019027 -0.000767 -0.019363 -0.013605 0.000966 32O 2dx2y2 -0.013670 -0.012236 -0.039094 0.005828 0.000405 -0.012044 32O 2dxy 0.000232 -0.048889 0.005734 0.004697 0.037776 -0.008464 32O 1f0 0.000285 0.006336 0.000533 0.000543 -0.002815 0.000445 32O 1f+1 -0.001456 -0.003233 0.000829 -0.000537 0.001447 0.000851 32O 1f-1 -0.000252 0.008396 0.001992 0.001099 -0.004769 -0.000820 32O 1f+2 0.000149 -0.001393 -0.001148 0.001035 -0.000270 0.000022 32O 1f-2 0.001490 0.005128 0.000772 -0.003029 -0.002713 0.001809 32O 1f+3 -0.001256 0.002065 -0.002712 -0.000652 -0.001647 -0.000986 32O 1f-3 -0.000279 -0.000375 0.002471 0.000143 -0.000803 -0.000443 33O 1s -0.005173 -0.003948 -0.009921 -0.011494 0.020093 -0.008617 33O 2s -0.017910 -0.014071 -0.035741 -0.039679 0.069853 -0.029827 33O 3s 0.070409 0.180496 0.233934 0.322482 -0.471692 0.160612 33O 4s 0.200597 -0.734564 -0.141618 -0.873410 0.743660 0.084854 33O 5s 0.656785 -0.586185 0.111058 0.944872 -1.890698 0.773644 33O 1pz -0.143888 0.008851 -0.207740 0.064149 0.072381 -0.039893 33O 1px 0.058867 -0.150589 0.092863 0.001248 -0.184271 0.184373 33O 1py 0.059956 0.088010 -0.065212 0.054900 -0.038545 -0.148725 33O 2pz 0.405151 -0.231490 0.370283 -0.131863 -0.286369 0.258540 33O 2px -0.305083 0.583426 -0.296277 0.172772 0.409445 -0.513166 33O 2py -0.076347 -0.248992 0.123806 -0.067358 0.035078 0.224214 33O 3pz 0.101903 0.032159 -0.687170 -0.081053 -0.097210 0.071281 33O 3px -0.160169 0.111170 0.281431 -0.167961 0.337423 0.112936 33O 3py 0.063448 -0.072920 -0.088842 -0.166318 0.138098 -0.408286 33O 1dz2 0.003694 -0.001461 0.004546 0.000143 -0.000187 -0.001492 33O 1dxz -0.010164 0.003782 -0.011159 0.004095 0.007512 -0.011682 33O 1dyz 0.002840 -0.004596 0.007032 0.001401 -0.003926 0.005044 33O 1dx2y2 0.004357 -0.007271 0.009028 -0.001969 -0.005152 0.001702 33O 1dxy 0.002176 0.003621 -0.001717 0.001910 -0.002324 -0.000273 33O 2dz2 -0.020688 0.075882 -0.029727 0.069926 0.024836 -0.049167 33O 2dxz -0.041696 0.033857 0.027584 -0.022658 0.111126 -0.079965 33O 2dyz -0.021912 -0.037837 0.047435 0.048792 -0.015090 -0.036502 33O 2dx2y2 0.093163 -0.106372 0.037360 -0.016173 -0.110813 0.027363 33O 2dxy 0.071317 0.047783 -0.022943 0.014087 -0.046950 0.076047 33O 1f0 -0.013051 0.011173 -0.021546 0.014502 -0.015787 0.022639 33O 1f+1 -0.013151 -0.007675 0.019874 -0.013615 0.025939 -0.025081 33O 1f-1 0.011358 -0.009880 0.000402 0.007132 -0.007113 -0.002520 33O 1f+2 0.007205 -0.010204 0.002264 -0.014408 0.001804 0.009081 33O 1f-2 -0.012410 0.026158 0.002673 -0.005967 0.000542 0.022792 33O 1f+3 -0.008130 -0.015521 0.006997 -0.017024 0.009415 0.011263 33O 1f-3 -0.008187 0.017665 -0.008863 -0.007999 0.003483 0.009670 34O 1s -0.004987 0.002972 0.016509 0.004330 0.017369 0.009823 34O 2s -0.014976 0.009265 0.056394 0.016144 0.061390 0.033768 34O 3s 0.043682 0.007241 -0.365307 -0.146942 -0.387902 -0.183954 34O 4s 0.312033 -0.336926 0.219926 0.346096 0.344354 0.000019 34O 5s 0.251801 -1.058875 0.125423 -0.645973 -2.047430 -1.046499 34O 1pz 0.099443 -0.112836 0.034555 0.042994 -0.000957 0.035793 34O 1px -0.051397 0.108003 0.184390 0.001427 0.259765 0.172564 34O 1py 0.082782 0.009074 -0.133409 -0.018368 -0.008316 0.047593 34O 2pz -0.123002 0.192059 -0.072406 -0.147883 -0.016858 0.035459 34O 2px 0.301172 -0.524407 -0.446228 0.026189 -0.795081 -0.567547 34O 2py -0.190609 0.111752 0.197451 0.031832 0.109320 0.005327 34O 3pz 0.021831 0.044940 0.010676 0.142972 0.197969 0.181907 34O 3px 0.143924 -0.202569 0.742684 0.050715 -0.304038 -0.026090 34O 3py -0.109768 0.025791 -0.525284 -0.539554 -0.282807 0.189049 34O 1dz2 -0.000183 0.006411 0.007781 0.001577 0.009534 0.004069 34O 1dxz -0.004946 0.002659 -0.000092 -0.004892 -0.000937 0.001541 34O 1dyz 0.003854 0.002519 0.000310 0.001711 0.006259 0.005531 34O 1dx2y2 0.004417 -0.001068 -0.008836 0.001376 -0.010588 -0.008315 34O 1dxy 0.001207 0.001397 0.002020 0.003769 0.006960 0.006930 34O 2dz2 -0.037532 0.098545 -0.001359 -0.019724 0.068430 0.041207 34O 2dxz -0.100808 0.081187 -0.025338 -0.095185 0.021847 0.093486 34O 2dyz 0.085588 -0.005683 -0.025048 0.052346 0.050697 0.024452 34O 2dx2y2 0.038613 -0.061005 -0.023797 0.055875 -0.125339 -0.072636 34O 2dxy -0.006739 0.055195 -0.061063 -0.032310 -0.044313 0.058587 34O 1f0 -0.021191 0.008377 0.008822 0.019379 0.008596 -0.019669 34O 1f+1 -0.009801 0.013747 0.002155 0.000768 0.012005 0.005580 34O 1f-1 0.004158 -0.007631 0.009141 0.004442 -0.004715 -0.008298 34O 1f+2 0.029161 -0.005434 -0.006396 -0.018286 -0.004629 0.034969 34O 1f-2 -0.019528 0.010268 0.006612 0.006017 -0.000249 -0.014265 34O 1f+3 -0.012821 0.004121 0.014651 0.004825 0.001700 -0.010196 34O 1f-3 0.000523 -0.010085 0.020763 0.003570 -0.016769 -0.018286 35O 1s -0.002267 0.002756 0.016171 -0.007563 0.015200 0.008080 35O 2s -0.008647 0.008508 0.055775 -0.026265 0.054142 0.027290 35O 3s 0.017021 0.016732 -0.341441 0.181789 -0.352480 -0.192152 35O 4s 0.205808 -0.376616 0.075804 -0.169164 0.407542 0.235487 35O 5s 0.940811 -0.771172 -0.372977 0.932103 -1.915260 0.254413 35O 1pz 0.055223 0.029719 0.087332 -0.016337 -0.017180 -0.032346 35O 1px -0.080274 0.157727 0.214885 -0.038550 0.201952 0.008934 35O 1py -0.129893 -0.069416 0.127716 -0.062518 0.069646 0.133024 35O 2pz -0.042431 -0.097868 -0.129932 0.063211 -0.030570 0.049715 35O 2px 0.375970 -0.567778 -0.586795 0.162193 -0.587091 -0.032806 35O 2py 0.277653 0.005779 -0.346554 0.182517 -0.284178 -0.132194 35O 3pz 0.165164 -0.212171 0.334121 -0.435669 0.382550 0.029562 35O 3px 0.343283 -0.306428 0.560087 0.157030 -0.207598 0.307528 35O 3py 0.110755 -0.244306 0.322414 -0.187501 -0.003445 0.406226 35O 1dz2 -0.005077 0.000634 0.007315 -0.002019 0.000596 0.003125 35O 1dxz 0.000959 0.000612 -0.001325 0.003508 -0.001977 -0.000662 35O 1dyz 0.003850 -0.000818 -0.002464 0.002986 -0.006707 -0.000630 35O 1dx2y2 0.006050 -0.009517 -0.009803 -0.001233 -0.007125 0.000931 35O 1dxy 0.010211 -0.004365 -0.012746 0.003771 -0.011018 0.000306 35O 2dz2 -0.044887 0.033430 0.038150 0.009359 0.023218 0.022205 35O 2dxz -0.057628 -0.028840 0.056383 -0.033469 0.063682 -0.007417 35O 2dyz 0.048226 0.008920 0.032771 0.006486 -0.023854 0.014735 35O 2dx2y2 0.032850 -0.175155 -0.007119 -0.036746 -0.066275 -0.011657 35O 2dxy 0.058294 -0.048238 -0.036201 -0.002445 -0.089536 0.060497 35O 1f0 -0.020529 0.001471 -0.004758 -0.005560 0.007397 0.001753 35O 1f+1 -0.003826 0.003755 0.007647 -0.000101 0.005814 -0.005860 35O 1f-1 0.008704 0.004052 0.003625 0.002625 0.003665 -0.017927 35O 1f+2 0.023643 -0.001737 0.009716 0.002167 -0.004476 -0.014280 35O 1f-2 0.013137 -0.010568 0.007591 0.006098 -0.007689 -0.000686 35O 1f+3 -0.027350 -0.000818 -0.013416 0.005020 -0.020689 0.045925 35O 1f-3 -0.006191 0.015190 0.011366 -0.004050 0.016178 -0.018628 486 487 488 489 490 491 3.00999 3.01066 3.01360 3.01575 3.05000 3.05089 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s -0.000847 0.001012 -0.000376 -0.000791 -0.001201 0.001787 0Rh 2s 0.005849 -0.007111 0.000927 0.005660 0.009136 -0.007488 0Rh 3s -0.001464 0.001689 -0.001663 -0.001258 -0.001579 0.006052 0Rh 4s -0.030636 0.037960 -0.004855 -0.030086 -0.048489 0.039687 0Rh 5s 0.053875 -0.077087 0.000343 0.059736 0.096948 -0.051368 0Rh 6s 0.001838 0.063239 0.041012 -0.039142 -0.064507 -0.084954 0Rh 7s -0.193444 0.050715 -0.265281 -0.123314 -0.058839 0.740916 0Rh 8s -0.065857 -0.070789 -0.020535 0.050100 0.139502 -0.227188 0Rh 1pz -0.001059 -0.001271 -0.001509 0.003900 -0.000117 0.001386 0Rh 1px -0.002199 -0.002428 -0.002211 0.003844 -0.001251 0.006860 0Rh 1py -0.003134 -0.004824 0.002014 -0.001074 -0.001163 0.003344 0Rh 2pz 0.004322 0.004168 0.005557 -0.014117 0.001105 -0.005387 0Rh 2px 0.008465 0.008686 0.008363 -0.014078 0.005106 -0.025663 0Rh 2py 0.011516 0.017313 -0.007996 0.003612 0.004149 -0.012779 0Rh 3pz -0.016270 0.004702 -0.006882 0.013984 -0.016193 0.014866 0Rh 3px -0.019166 -0.005600 -0.015568 0.016778 -0.017107 0.041244 0Rh 3py -0.013997 -0.013859 0.024312 0.001952 -0.003224 0.027658 0Rh 4pz 0.047191 -0.048757 -0.016524 0.046384 0.064172 -0.033551 0Rh 4px 0.017242 -0.046889 0.000236 0.038762 0.032085 0.030459 0Rh 4py -0.033956 -0.071618 -0.052167 -0.032703 -0.015099 -0.025265 0Rh 5pz -0.145128 0.089289 0.052990 -0.097325 -0.138835 0.102229 0Rh 5px -0.026512 0.124197 0.019907 -0.103465 -0.046973 -0.137227 0Rh 5py 0.102848 0.153792 0.146909 0.057570 0.027136 0.054131 0Rh 6pz 1.044103 -0.246070 -0.623472 0.200215 0.711977 0.998541 0Rh 6px 0.124873 -0.815321 -0.229160 0.538609 0.142186 1.009552 0Rh 6py -0.609216 -0.568848 -0.970299 -0.132451 -0.398286 0.297119 0Rh 1dz2 0.002338 -0.015417 -0.000658 0.007843 -0.001514 0.003843 0Rh 1dxz -0.005441 0.021556 -0.004797 -0.018702 -0.011201 0.016226 0Rh 1dyz -0.011331 -0.007293 0.004218 -0.010384 -0.004762 0.001478 0Rh 1dx2y2 0.002297 -0.003794 0.002901 -0.016606 0.005296 -0.014373 0Rh 1dxy 0.005847 0.026943 0.015397 0.013312 0.007486 -0.007740 0Rh 2dz2 -0.000015 -0.002655 -0.000253 0.001200 0.001290 -0.000738 0Rh 2dxz -0.000628 0.000479 -0.000231 -0.000998 -0.000790 0.001009 0Rh 2dyz -0.001196 -0.000298 0.000135 -0.001454 0.001502 0.000397 0Rh 2dx2y2 0.000610 0.002202 -0.000021 -0.003476 -0.000047 0.000263 0Rh 2dxy 0.001125 0.004024 0.000961 0.000486 0.000331 -0.000052 0Rh 3dz2 -0.007227 0.059982 0.003215 -0.029943 -0.001072 -0.008909 0Rh 3dxz 0.019711 -0.069150 0.016016 0.062632 0.038749 -0.055500 0Rh 3dyz 0.040417 0.024024 -0.013535 0.038925 0.008038 -0.006551 0Rh 3dx2y2 -0.010017 0.001696 -0.008901 0.067644 -0.016516 0.043988 0Rh 3dxy -0.023278 -0.102148 -0.052099 -0.043601 -0.025115 0.024517 0Rh 4dz2 0.003224 -0.057641 -0.005346 0.029034 0.015597 -0.001498 0Rh 4dxz -0.014422 0.030692 -0.009638 -0.033855 -0.026774 0.036661 0Rh 4dyz -0.026635 -0.013943 0.003374 -0.033606 0.016179 0.009918 0Rh 4dx2y2 0.012904 0.029474 0.003100 -0.074721 0.009034 -0.018619 0Rh 4dxy 0.023002 0.090661 0.029131 0.021397 0.015997 -0.011330 0Rh 5dz2 -0.008621 0.042350 0.020845 -0.027864 -0.035188 0.006932 0Rh 5dxz -0.027767 0.113160 -0.016631 -0.104912 -0.015920 0.022059 0Rh 5dyz -0.073161 0.029600 0.072256 0.002528 -0.053776 -0.044014 0Rh 5dx2y2 -0.007675 -0.108868 0.025752 0.100720 0.002528 -0.042524 0Rh 5dxy -0.008136 0.019061 0.090239 0.081672 0.038347 -0.044791 0Rh 1f0 0.002421 0.011674 -0.019583 0.006064 0.004242 0.001717 0Rh 1f+1 0.025918 0.011686 -0.012390 -0.000492 -0.002645 -0.008933 0Rh 1f-1 0.023347 0.030942 -0.012309 -0.006488 0.007640 -0.057315 0Rh 1f+2 -0.023311 -0.013229 0.002876 0.018616 0.022146 0.014201 0Rh 1f-2 0.001809 0.019159 -0.030280 0.013818 0.028099 -0.017662 0Rh 1f+3 0.027714 -0.005274 0.024500 -0.012628 -0.008005 -0.016371 0Rh 1f-3 -0.004095 0.006115 -0.020791 0.011262 0.012541 -0.004764 1Rh 1s -0.000987 -0.000803 -0.000242 0.000821 0.000535 0.002218 1Rh 2s 0.006720 0.005626 -0.000032 -0.005720 -0.006101 -0.011386 1Rh 3s -0.001767 -0.001351 -0.001450 0.001400 -0.000526 0.006243 1Rh 4s -0.035335 -0.030156 0.000251 0.030397 0.032391 0.060389 1Rh 5s 0.063559 0.062848 -0.009914 -0.059502 -0.073951 -0.095684 1Rh 6s -0.007877 -0.060629 0.048589 0.035130 0.088262 -0.043325 1Rh 7s -0.190355 -0.015562 -0.254121 0.145750 -0.195232 0.729588 1Rh 8s -0.059781 0.081867 -0.032917 -0.047077 -0.061767 -0.226918 1Rh 1pz 0.000888 -0.001357 0.001924 0.003833 0.000406 -0.001527 1Rh 1px 0.001669 -0.002792 0.002647 0.003646 0.001059 -0.006486 1Rh 1py 0.001990 -0.005508 -0.001726 -0.001032 0.000052 -0.003627 1Rh 2pz -0.003775 0.004591 -0.007039 -0.013871 -0.000950 0.006167 1Rh 2px -0.006565 0.010105 -0.009944 -0.013332 -0.003550 0.024408 1Rh 2py -0.007397 0.019874 0.006922 0.003418 -0.000494 0.013843 1Rh 3pz 0.017173 0.001566 0.007930 0.013631 -0.010162 -0.021443 1Rh 3px 0.017841 -0.009193 0.017056 0.015417 -0.002905 -0.042269 1Rh 3py 0.010481 -0.018105 -0.022617 0.003152 0.006885 -0.029634 1Rh 4pz -0.054279 -0.035997 0.022973 0.046007 0.050482 0.055791 1Rh 4px -0.027032 -0.042243 0.005956 0.038720 0.041163 -0.015826 1Rh 4py 0.017889 -0.073682 0.053221 -0.037224 -0.024682 0.026378 1Rh 5pz 0.155978 0.051371 -0.065589 -0.096756 -0.100191 -0.146100 1Rh 5px 0.052340 0.115594 -0.036036 -0.102022 -0.090977 0.104422 1Rh 5py -0.068240 0.162163 -0.150365 0.070893 0.048013 -0.057255 1Rh 6pz -1.055763 0.011928 0.650725 0.201826 0.988073 -0.669959 1Rh 6px -0.284636 -0.767488 0.321615 0.534273 0.452745 -0.825646 1Rh 6py 0.479468 -0.615677 0.989000 -0.226156 -0.299476 -0.247616 1Rh 1dz2 0.005504 0.014521 -0.002227 -0.007798 0.000163 0.003815 1Rh 1dxz -0.009542 -0.019966 -0.001847 0.019001 0.005426 0.017098 1Rh 1dyz -0.008949 0.009597 0.004513 0.010469 0.004211 0.004574 1Rh 1dx2y2 0.003441 0.003061 0.003761 0.016239 -0.000278 -0.014182 1Rh 1dxy -0.000003 -0.026593 0.015953 -0.014405 -0.004510 -0.009751 1Rh 2dz2 0.000524 0.002559 -0.000537 -0.001181 -0.001048 -0.000786 1Rh 2dxz -0.000660 -0.000345 -0.000106 0.001012 0.000480 0.000789 1Rh 2dyz -0.001100 0.000573 0.000183 0.001485 -0.001722 0.000934 1Rh 2dx2y2 0.000144 -0.002284 0.000373 0.003443 -0.000097 0.000541 1Rh 2dxy 0.000236 -0.004079 0.001130 -0.000573 -0.000381 0.000184 1Rh 3dz2 -0.019505 -0.056762 0.009399 0.029720 0.004286 -0.008626 1Rh 3dxz 0.032606 0.063607 0.006276 -0.063626 -0.019220 -0.057253 1Rh 3dyz 0.032595 -0.032383 -0.014668 -0.039336 -0.005258 -0.018716 1Rh 3dx2y2 -0.011443 0.000975 -0.013384 -0.066354 0.001401 0.042146 1Rh 3dxy -0.001028 0.101311 -0.054607 0.047387 0.016007 0.029781 1Rh 4dz2 0.014735 0.055098 -0.011602 -0.028687 -0.015413 -0.001797 1Rh 4dxz -0.019567 -0.027140 -0.004610 0.034430 0.014416 0.034863 1Rh 4dyz -0.022514 0.019696 0.004291 0.034228 -0.021120 0.021928 1Rh 4dx2y2 0.007310 -0.031771 0.010285 0.073793 -0.003305 -0.014831 1Rh 4dxy 0.003124 -0.091162 0.032383 -0.023752 -0.012682 -0.010845 1Rh 5dz2 -0.013578 -0.038643 0.027032 0.027193 0.034854 0.005354 1Rh 5dxz -0.048544 -0.105023 -0.001776 0.106604 0.006201 0.031900 1Rh 5dyz -0.072411 -0.012807 0.076347 -0.004463 0.074686 -0.046067 1Rh 5dx2y2 0.012793 0.107745 0.010760 -0.102167 0.013836 -0.044253 1Rh 5dxy -0.012815 -0.012627 0.086888 -0.087159 -0.018040 -0.062927 1Rh 1f0 0.000332 0.013014 0.018943 0.005037 0.004290 -0.001236 1Rh 1f+1 -0.022673 0.017644 0.011418 -0.000534 -0.004821 0.004341 1Rh 1f-1 -0.016342 0.036599 0.009597 -0.007192 -0.011320 0.051698 1Rh 1f+2 0.020567 -0.018308 -0.000319 0.018644 0.025291 -0.005253 1Rh 1f-2 0.003530 0.020799 0.030033 0.011768 0.021625 0.021886 1Rh 1f+3 -0.028841 -0.000695 -0.024962 -0.010214 -0.012586 0.012185 1Rh 1f-3 0.005683 0.006790 0.021266 0.009590 0.010485 0.005636 2C 1s -0.002462 0.029998 0.002665 -0.009153 0.003586 0.004907 2C 2s -0.005021 0.085182 0.007854 -0.026366 0.011591 0.008092 2C 3s -0.166959 -0.290057 -0.124434 0.102391 -0.046434 0.587951 2C 4s 0.941828 -0.266972 0.544910 0.064661 0.133535 -2.998508 2C 5s -0.981055 1.440618 0.289659 -0.369589 -0.139456 1.264351 2C 1pz -0.017603 -0.053446 -0.020056 0.023368 -0.004307 0.211801 2C 1px -0.026005 0.039989 0.033078 0.003710 -0.016896 -0.011713 2C 1py -0.087074 -0.011699 -0.031820 0.010979 -0.019741 0.120570 2C 2pz 0.268738 1.795795 0.512077 -0.379361 0.173951 -1.291291 2C 2px 0.080304 0.099474 -0.101481 -0.057596 0.015030 0.208434 2C 2py 0.250227 1.007482 0.335108 -0.416783 0.330596 -0.817891 2C 3pz -0.214872 0.204677 0.043585 -0.031481 -0.151679 0.120091 2C 3px -0.025440 -0.062911 0.061933 0.023783 -0.068979 0.252335 2C 3py -0.067876 0.125399 0.106249 -0.053395 0.069788 0.107601 2C 1dz2 0.081482 -0.027362 0.060825 -0.024473 -0.002792 0.145811 2C 1dxz -0.068974 0.006759 -0.073381 -0.007513 -0.065503 -0.071221 2C 1dyz -0.065488 0.120948 -0.040476 -0.011734 -0.013039 -0.097699 2C 1dx2y2 -0.042378 0.079819 -0.044087 -0.045324 -0.131755 -0.319439 2C 1dxy 0.112519 0.013173 0.029670 -0.039323 -0.075496 -0.150595 2C 2dz2 -0.029095 0.567768 0.148044 -0.082392 0.020027 -0.344502 2C 2dxz 0.175014 0.238913 0.072839 -0.127997 0.293630 -0.177402 2C 2dyz 0.118918 0.508600 0.207463 -0.164256 0.069836 -0.069036 2C 2dx2y2 0.043513 -0.511282 -0.027733 0.123166 0.006881 0.695818 2C 2dxy -0.118136 0.154899 -0.141136 0.039038 -0.114255 -0.007298 2C 1f0 0.013457 -0.046417 0.038024 0.012370 0.083487 0.091608 2C 1f+1 -0.061174 0.103746 -0.009377 -0.033213 0.148975 -0.062885 2C 1f-1 -0.061625 0.167213 0.012262 -0.043798 -0.037324 0.032342 2C 1f+2 -0.040879 0.018991 -0.029058 -0.018006 0.098969 0.002837 2C 1f-2 0.109598 0.042881 0.039392 0.006862 0.048683 -0.159031 2C 1f+3 0.075220 0.179838 0.071483 -0.027369 0.008671 0.005855 2C 1f-3 0.014145 0.012514 0.026294 0.006225 -0.005280 0.098074 3C 1s -0.000063 -0.009225 -0.009265 -0.032417 0.008574 -0.009753 3C 2s 0.000084 -0.026596 -0.023346 -0.090733 0.022791 -0.030382 3C 3s -0.048298 0.112951 -0.217045 0.062748 0.364008 0.366839 3C 4s 0.254241 -0.010181 1.574386 1.531850 -2.362869 -1.198333 3C 5s -0.330698 -0.229831 -1.214134 -1.142805 0.681561 0.321190 3C 1pz 0.012716 0.010262 -0.072621 -0.029330 0.099773 0.076498 3C 1px -0.014000 -0.008298 -0.075707 -0.046725 0.005774 0.006143 3C 1py 0.015524 -0.026332 0.054458 0.021560 -0.084565 -0.100041 3C 2pz 0.038911 -0.372726 0.306919 -0.487600 -0.867090 -0.787564 3C 2px 0.168347 -0.078496 0.093262 -0.236468 -0.170612 -0.139466 3C 2py -0.050640 0.490668 -0.212851 1.193267 0.849669 1.167394 3C 3pz 0.024617 -0.008479 -0.065343 -0.062922 -0.222622 -0.023820 3C 3px -0.132984 0.083186 0.013749 0.070094 0.054353 0.029694 3C 3py 0.039444 0.056707 0.233232 0.066379 -0.039036 -0.122437 3C 1dz2 -0.003496 0.052612 -0.102345 -0.080030 0.182475 0.042153 3C 1dxz -0.076427 0.048454 0.075828 0.034202 0.146004 0.038348 3C 1dyz -0.000244 0.022254 0.002665 0.080442 -0.001696 0.034362 3C 1dx2y2 0.081749 -0.008144 -0.002415 0.021623 -0.208925 -0.037326 3C 1dxy -0.152342 0.035238 0.137474 0.099215 0.131874 0.016496 3C 2dz2 -0.026860 0.015305 0.136413 0.232791 -0.209601 0.000578 3C 2dxz 0.165004 -0.232070 -0.069003 -0.418611 -0.325498 -0.279509 3C 2dyz 0.026552 0.092391 0.057262 0.353604 0.257083 0.279817 3C 2dx2y2 -0.017328 0.183834 -0.084906 0.336325 0.427991 0.381451 3C 2dxy 0.007788 0.060564 -0.206735 0.131281 0.074523 0.129247 3C 1f0 0.023756 0.043838 -0.015724 0.162659 0.061034 0.071984 3C 1f+1 -0.065332 0.017532 0.061618 0.046519 0.069853 0.013140 3C 1f-1 -0.006022 0.034426 0.108308 0.070164 -0.065619 -0.029736 3C 1f+2 -0.034737 -0.026646 0.044584 -0.062389 0.077441 -0.029158 3C 1f-2 0.040221 0.038821 -0.093330 0.024701 0.021307 0.056234 3C 1f+3 0.049102 -0.048815 -0.064650 -0.160464 -0.045934 -0.050389 3C 1f-3 0.010914 -0.031235 0.064197 0.040821 -0.003334 -0.005424 4C 1s -0.003021 0.006753 0.000796 0.000068 -0.004565 0.006361 4C 2s -0.011775 0.020701 0.002180 0.000285 -0.012602 0.025244 4C 3s 0.281602 0.273785 0.142887 -0.092518 -0.387274 -0.846516 4C 4s -1.093010 -2.097006 -0.769667 0.513793 1.959040 3.324763 4C 5s 0.343746 -1.466568 -0.083220 0.307443 1.661932 0.250493 4C 1pz -0.027227 0.048610 -0.028198 -0.014302 -0.051143 0.101104 4C 1px -0.020127 -0.112882 0.028043 0.024665 -0.016814 0.068582 4C 1py -0.030303 -0.012920 -0.015995 -0.013358 -0.021799 0.082134 4C 2pz 0.221947 0.808806 0.529571 -0.208943 0.824866 -0.973053 4C 2px 0.250995 0.572792 -0.475746 -0.272764 0.420241 -0.603926 4C 2py 0.220432 0.683395 0.158360 -0.182663 0.680180 -0.786254 4C 3pz -0.554813 0.104853 0.361214 -0.045512 0.692010 0.739375 4C 3px -0.181058 -0.074507 -0.250105 -0.021101 0.066499 0.919181 4C 3py -0.460812 -0.055416 0.056750 -0.058385 0.003213 0.788773 4C 1dz2 0.069273 0.217144 0.021838 -0.036755 -0.042734 -0.067792 4C 1dxz -0.278795 -0.056622 -0.108419 -0.031158 -0.072768 0.196432 4C 1dyz -0.155942 0.370471 0.015010 -0.115278 0.016055 -0.014249 4C 1dx2y2 -0.273390 0.018025 -0.138449 -0.047976 -0.276134 -0.150435 4C 1dxy 0.355606 0.025921 0.248555 0.086382 -0.117271 0.140862 4C 2dz2 -0.270157 -0.455067 0.035071 0.150923 -0.169729 0.572861 4C 2dxz 0.409154 0.155095 -0.257967 -0.041942 -0.108277 -0.551178 4C 2dyz 0.023971 -0.751683 -0.161987 0.201452 -0.002099 0.456466 4C 2dx2y2 0.269033 0.009409 0.156419 0.065981 0.759052 0.170945 4C 2dxy -0.355111 -0.185035 -0.536681 -0.163705 0.585029 -0.143395 4C 1f0 -0.148734 0.052229 -0.054002 -0.050586 -0.007837 -0.033571 4C 1f+1 0.116055 0.105831 0.075625 -0.011125 -0.142888 -0.163856 4C 1f-1 0.050269 -0.009106 0.064133 0.028761 -0.015769 0.146721 4C 1f+2 0.042401 -0.109454 -0.004502 0.017435 0.119822 0.084962 4C 1f-2 -0.101064 0.066697 -0.046936 -0.018667 0.028724 -0.095234 4C 1f+3 -0.177850 -0.019728 -0.088016 -0.027917 -0.047018 -0.042857 4C 1f-3 -0.002267 0.085434 0.008232 0.002949 -0.155906 -0.030582 5C 1s 0.000628 -0.000882 -0.005159 -0.006326 -0.004030 0.004873 5C 2s 0.001366 -0.002345 -0.019305 -0.021759 -0.008141 0.016982 5C 3s 0.106632 -0.090119 0.332122 0.123679 -0.799760 -0.511459 5C 4s -0.581457 0.595426 -1.093249 0.268856 3.931563 2.157806 5C 5s 0.046095 0.316602 0.415926 0.669093 1.653405 0.010307 5C 1pz 0.008996 -0.005897 -0.041486 -0.054528 0.027748 0.000215 5C 1px -0.049160 0.000328 -0.032218 0.045633 0.073129 0.039356 5C 1py 0.002097 -0.001459 0.061594 0.069797 -0.097073 -0.014504 5C 2pz -0.198375 -0.100023 0.254557 -0.166815 -0.261858 -0.519109 5C 2px 0.616783 -0.293412 0.253557 -0.614642 -0.151408 -0.183234 5C 2py 0.123246 0.294480 -0.441442 0.449904 0.534127 0.840321 5C 3pz -0.225658 -0.083662 -0.370497 0.047314 0.796673 0.168766 5C 3px 0.224369 -0.064652 -0.527024 -0.100638 0.620832 0.504197 5C 3py 0.178083 -0.140557 0.596895 0.076925 -0.673017 -0.228724 5C 1dz2 0.094340 -0.003070 -0.108119 -0.000634 0.135150 0.017451 5C 1dxz -0.236943 0.097756 0.370647 0.056035 0.081745 -0.024510 5C 1dyz -0.031661 0.090598 0.003536 0.309483 0.169074 0.135487 5C 1dx2y2 -0.039591 0.103217 0.112487 0.233106 -0.139778 0.021166 5C 1dxy -0.095253 0.028882 0.363254 0.137132 -0.031056 -0.003875 5C 2dz2 -0.198568 -0.035300 0.188827 0.042462 -0.545833 -0.236669 5C 2dxz 0.475234 -0.091189 -0.398678 0.015834 -0.253616 0.245687 5C 2dyz 0.268303 -0.233637 0.178530 -0.519590 -0.723809 -0.408590 5C 2dx2y2 0.226952 -0.220160 0.064750 -0.359963 0.250292 -0.102940 5C 2dxy -0.218733 0.062178 -0.371264 0.012755 -0.141334 -0.187744 5C 1f0 -0.057524 -0.008050 0.151720 -0.007095 -0.014150 -0.060199 5C 1f+1 0.064664 -0.006733 -0.107951 -0.057470 -0.116037 0.016065 5C 1f-1 0.079964 -0.018535 -0.092475 -0.051792 -0.083141 0.004614 5C 1f+2 0.069747 -0.038005 -0.039274 0.025580 -0.041593 -0.012355 5C 1f-2 -0.075158 0.066961 0.096443 0.093826 0.147559 0.011912 5C 1f+3 -0.043353 0.008585 0.137757 0.035896 -0.218043 -0.072029 5C 1f-3 -0.039831 0.014230 0.040881 -0.005169 0.200615 0.002439 6C 1s 0.000948 0.000492 -0.004652 0.006483 0.002227 0.005293 6C 2s 0.002326 0.001074 -0.017571 0.022395 0.002087 0.017224 6C 3s 0.119629 0.082019 0.327221 -0.141290 0.939539 -0.313454 6C 4s -0.695892 -0.509669 -1.124310 -0.203692 -4.487611 1.176156 6C 5s -0.025538 -0.295715 0.346445 -0.687832 -1.600102 -0.267653 6C 1pz -0.010974 -0.000821 0.036963 -0.055178 0.025961 0.009188 6C 1px 0.049303 -0.007764 0.034702 0.043837 0.079999 -0.014162 6C 1py -0.001591 -0.005678 -0.054376 0.070661 -0.094131 -0.022884 6C 2pz 0.170140 -0.155655 -0.247083 -0.170655 -0.402283 0.306939 6C 2px -0.693491 -0.166736 -0.274996 -0.590334 -0.176318 0.092871 6C 2py -0.045333 0.340162 0.435684 0.448374 0.749010 -0.477275 6C 3pz 0.213760 -0.107571 0.379700 0.016524 0.816868 0.084497 6C 3px -0.231932 0.011818 0.516420 -0.118511 0.749715 -0.293954 6C 3py -0.208022 -0.126852 -0.584231 0.109386 -0.747853 0.152795 6C 1dz2 0.096034 -0.025044 -0.113273 0.005941 -0.140072 0.015948 6C 1dxz -0.259532 -0.019672 0.375102 -0.076652 -0.072730 -0.000074 6C 1dyz -0.057422 -0.080495 -0.017015 -0.305685 -0.200359 0.062791 6C 1dx2y2 -0.069092 -0.082801 0.105785 -0.240266 0.128745 0.066514 6C 1dxy -0.102934 0.015799 0.356508 -0.156039 0.026820 0.006231 6C 2dz2 -0.196094 0.088603 0.194310 -0.048962 0.612761 -0.168860 6C 2dxz 0.494029 -0.038577 -0.398185 -0.006356 0.172624 0.219722 6C 2dyz 0.329057 0.178476 0.211173 0.500690 0.814553 -0.184127 6C 2dx2y2 0.286754 0.167335 0.064513 0.359767 -0.231146 -0.105066 6C 2dxy -0.237586 -0.034349 -0.373749 0.020788 0.203076 -0.077922 6C 1f0 0.054833 -0.029633 -0.154684 0.001632 -0.033947 0.056670 6C 1f+1 -0.065751 0.013649 0.101158 -0.060225 -0.110407 -0.027441 6C 1f-1 -0.086597 0.004882 0.091602 -0.055323 -0.074377 -0.038234 6C 1f+2 -0.076562 -0.019230 0.043827 0.023426 -0.045672 0.014846 6C 1f-2 0.092595 0.042548 -0.092150 0.098067 0.145083 0.007958 6C 1f+3 0.047163 -0.011136 -0.140447 0.044755 -0.233879 0.021387 6C 1f-3 0.042081 0.003384 -0.040705 -0.003542 0.192664 0.042401 7C 1s -0.004294 -0.005787 0.001203 -0.000063 0.002233 0.007431 7C 2s -0.015609 -0.017115 0.003443 -0.000180 0.003834 0.026459 7C 3s 0.227057 -0.330518 0.160402 0.075083 0.617170 -0.470975 7C 4s -0.673531 2.278929 -0.912191 -0.431097 -2.826459 1.609313 7C 5s 0.608435 1.347443 -0.180803 -0.305888 -1.620030 -0.582668 7C 1pz 0.034868 0.040576 0.023776 -0.016570 -0.017063 -0.084650 7C 1px -0.005590 -0.117601 -0.018467 0.026989 0.003928 -0.053457 7C 1py 0.025056 -0.020103 0.016377 -0.014819 0.004664 -0.066178 7C 2pz -0.025187 0.824936 -0.603065 -0.173378 0.450717 1.053840 7C 2px -0.134042 0.656651 0.410018 -0.305806 0.209389 0.679519 7C 2py -0.060926 0.727271 -0.225583 -0.174007 0.382823 0.887312 7C 3pz 0.566172 -0.051290 -0.364625 -0.041355 0.859791 -0.322583 7C 3px 0.145242 -0.097009 0.249282 -0.038829 0.340643 -0.704321 7C 3py 0.437065 -0.158107 -0.063280 -0.073971 0.217435 -0.519753 7C 1dz2 0.023672 -0.223729 0.040639 0.035183 0.061901 -0.066521 7C 1dxz -0.259986 0.108251 -0.115101 0.047772 0.016329 0.155339 7C 1dyz -0.225143 -0.328724 0.044270 0.119918 -0.004780 -0.019215 7C 1dx2y2 -0.261710 0.027870 -0.143493 0.068204 0.310791 -0.032730 7C 1dxy 0.335235 -0.079448 0.250497 -0.118833 0.057716 0.201631 7C 2dz2 -0.170512 0.510110 -0.009943 -0.151617 -0.019307 0.553378 7C 2dxz 0.383720 -0.255383 -0.240332 0.046975 0.256248 -0.395782 7C 2dyz 0.174654 0.732540 -0.220395 -0.194993 -0.144269 0.320854 7C 2dx2y2 0.241282 -0.054144 0.167377 -0.084606 -0.755245 -0.178105 7C 2dxy -0.300809 0.208058 -0.538175 0.220083 -0.497630 -0.410314 7C 1f0 0.153215 0.024705 0.052818 -0.060397 -0.016753 0.014388 7C 1f+1 -0.094603 0.124527 -0.083491 -0.001640 -0.179145 0.045193 7C 1f-1 -0.048370 -0.005171 -0.062521 0.035869 0.032792 -0.145314 7C 1f+2 -0.061013 -0.099061 0.011086 0.019215 0.138476 -0.023002 7C 1f-2 0.108015 0.048043 0.042623 -0.025847 -0.003474 0.089758 7C 1f+3 0.166615 -0.048645 0.090546 -0.041292 -0.059094 0.021113 7C 1f-3 0.017746 0.082408 -0.011600 0.004684 -0.155230 -0.047353 8C 1s 0.002618 0.008209 -0.007332 0.032609 -0.004994 -0.010646 8C 2s 0.007762 0.023810 -0.018009 0.091165 -0.011837 -0.032179 8C 3s -0.073498 -0.111513 -0.214886 -0.054251 -0.464419 0.235818 8C 4s 0.221015 0.059631 1.450196 -1.579373 2.620562 -0.448431 8C 5s -0.267502 0.224973 -1.121662 1.203049 -0.765687 0.139204 8C 1pz -0.011817 0.017430 0.070966 -0.032268 0.119104 -0.042300 8C 1px 0.011135 -0.006156 0.073169 -0.051545 0.007170 0.000033 8C 1py -0.020735 -0.025069 -0.050490 0.022557 -0.113706 0.072087 8C 2pz -0.127047 -0.370978 -0.316267 -0.477686 -1.061099 0.417371 8C 2px -0.188928 -0.045599 -0.109703 -0.224680 -0.200813 0.016750 8C 2py 0.181400 0.472999 0.270061 1.188448 1.178032 -0.813460 8C 3pz -0.027441 -0.001636 0.058472 -0.063820 -0.211827 -0.063809 8C 3px 0.152187 0.050308 -0.012314 0.067970 0.066221 -0.037607 8C 3py -0.029357 0.051438 -0.225973 0.081582 -0.075617 0.076691 8C 1dz2 -0.012967 -0.058405 -0.095985 0.086010 -0.190352 0.008716 8C 1dxz -0.086959 -0.025176 0.077023 -0.039007 -0.149622 0.017944 8C 1dyz -0.007654 -0.020795 -0.001440 -0.080737 -0.009766 0.028040 8C 1dx2y2 0.083462 -0.009167 -0.002843 -0.023056 0.213412 0.012510 8C 1dxy -0.160349 0.008096 0.129765 -0.102065 -0.132645 0.004616 8C 2dz2 -0.034353 0.004105 0.120880 -0.237040 0.198454 0.080841 8C 2dxz 0.225094 0.182125 -0.058556 0.425090 0.388434 -0.211636 8C 2dyz 0.000399 -0.090044 0.034724 -0.356065 -0.336562 0.187394 8C 2dx2y2 -0.063508 -0.180631 -0.097639 -0.335823 -0.524832 0.196504 8C 2dxy -0.009048 -0.075267 -0.213278 -0.119614 -0.105344 0.030252 8C 1f0 -0.010570 0.048613 0.026405 0.160945 0.081037 -0.048328 8C 1f+1 0.070615 -0.001815 -0.058917 0.045065 0.069585 0.013134 8C 1f-1 0.013165 0.024891 -0.102760 0.074721 -0.066785 -0.019971 8C 1f+2 0.026113 -0.035509 -0.046046 -0.060171 0.066580 0.043681 8C 1f-2 -0.030601 0.051356 0.093122 0.019640 0.037430 -0.057010 8C 1f+3 -0.064018 -0.032625 0.058603 -0.165104 -0.055704 0.019116 8C 1f-3 -0.017160 -0.031869 -0.059646 0.042208 -0.006908 0.031235 9C 1s -0.008486 -0.028382 0.005423 0.009069 -0.004439 -0.000583 9C 2s -0.022210 -0.081098 0.015719 0.026072 -0.012097 -0.006906 9C 3s -0.102670 0.321343 -0.149919 -0.091052 -0.140868 0.474141 9C 4s 0.960359 0.029966 0.511500 -0.119740 0.788919 -2.161898 9C 5s -1.240312 -1.156161 0.403491 0.383779 -0.228725 0.988288 9C 1pz 0.006102 -0.058382 0.024090 0.022596 0.063608 -0.172053 9C 1px 0.031914 0.031061 -0.036080 0.005570 -0.018869 0.001244 9C 1py 0.082337 -0.029905 0.034228 0.006093 0.016879 -0.093189 9C 2pz 0.112953 1.795267 -0.656415 -0.344093 -0.257464 1.111637 9C 2px -0.061926 0.120447 0.091764 -0.059632 0.070055 -0.139641 9C 2py -0.032785 1.040042 -0.434578 -0.392478 0.055563 0.712685 9C 3pz 0.246207 0.152155 -0.057673 -0.036334 -0.112210 -0.149321 9C 3px 0.019373 -0.075649 -0.053307 0.028915 0.010319 -0.224573 9C 3py 0.091124 0.097404 -0.113952 -0.047107 0.100498 -0.106807 9C 1dz2 0.082634 0.015729 0.061750 0.017867 -0.042955 0.110536 9C 1dxz -0.063644 0.003823 -0.072196 0.014580 0.081955 -0.036660 9C 1dyz -0.086919 -0.107445 -0.032697 0.016505 0.043839 -0.084485 9C 1dx2y2 -0.052982 -0.075951 -0.036952 0.049058 0.217841 -0.191770 9C 1dxy 0.108883 -0.039589 0.034834 0.033510 0.116729 -0.071514 9C 2dz2 -0.145212 -0.539858 0.190252 0.073442 0.097412 -0.285665 9C 2dxz 0.115900 -0.272863 0.101225 0.118925 -0.220864 -0.232256 9C 2dyz 0.009941 -0.515917 0.255607 0.148863 -0.043634 -0.057122 9C 2dx2y2 0.146798 0.498371 -0.066473 -0.125499 -0.226427 0.554055 9C 2dxy -0.142351 -0.123391 -0.138482 -0.024661 0.113349 -0.017605 9C 1f0 -0.022259 -0.047576 -0.033624 0.017548 0.108831 -0.066090 9C 1f+1 0.082711 0.087834 0.002180 -0.037433 0.118771 0.105496 9C 1f-1 0.093196 0.150748 -0.025946 -0.044821 -0.023595 -0.046923 9C 1f+2 0.045238 0.013563 0.027485 -0.021880 0.095961 0.026857 9C 1f-2 -0.094397 0.065362 -0.041875 0.010842 0.000420 0.137266 9C 1f+3 -0.035930 0.183429 -0.086593 -0.020360 0.008186 0.007710 9C 1f-3 -0.008882 0.017753 -0.030454 0.007712 0.024081 -0.072310 10H 1s -0.004549 0.034553 0.011320 -0.003738 0.007705 -0.159162 10H 2s -0.091679 1.202589 0.106014 -0.319457 0.243800 -0.165840 10H 3s 0.076359 -0.283121 -0.022791 0.077332 0.000332 -0.246586 10H 1pz -0.084413 0.382710 0.027036 -0.086043 0.051767 -0.075580 10H 1px 0.010284 -0.395649 -0.023318 0.120150 -0.075590 -0.115042 10H 1py 0.067305 0.140403 0.083413 -0.025908 0.085073 0.002696 11H 1s -0.055777 -0.066701 -0.061470 0.009299 -0.074365 -0.047097 11H 2s -0.213455 0.872253 0.010393 -0.094760 -0.113352 0.707414 11H 3s 0.079550 -0.326354 -0.028813 0.074927 -0.065292 -0.116234 11H 1pz -0.084835 0.288434 -0.014916 -0.032470 -0.116552 0.260557 11H 1px 0.013217 0.255616 0.053711 -0.038380 -0.006474 0.233422 11H 1py 0.021407 -0.306746 -0.028308 0.081199 -0.078557 0.063492 12H 1s 0.122905 -0.106815 0.039839 0.024292 0.043798 0.026645 12H 2s -0.169089 0.720582 0.125027 -0.337071 0.242818 0.727718 12H 3s 0.130108 -0.313319 -0.007960 0.085744 -0.015943 -0.104689 12H 1pz -0.017795 -0.200830 -0.035421 0.033827 0.026351 0.155635 12H 1px -0.074997 0.115355 -0.003072 -0.052004 0.005203 0.210262 12H 1py -0.124905 0.393256 0.025049 -0.157037 0.097914 0.252306 13H 1s 0.023258 -0.026300 0.006423 0.011343 -0.093443 -0.040093 13H 2s 0.041861 -0.428598 -0.246742 -1.219753 0.036590 -0.446008 13H 3s 0.070444 0.056975 0.125296 0.297655 -0.194774 0.019075 13H 1pz -0.041248 -0.109321 -0.015618 -0.371216 0.053689 -0.130068 13H 1px -0.024686 0.112165 0.123967 0.368666 -0.126302 0.071024 13H 1py -0.006825 0.106591 0.094340 0.289431 0.025867 0.106546 14H 1s -0.036002 0.057664 0.140577 0.144959 -0.035253 0.011244 14H 2s -0.029505 -0.190406 -0.376914 -0.836461 0.329606 -0.060741 14H 3s 0.012906 0.099192 0.198553 0.318182 -0.142446 0.008130 14H 1pz 0.036031 -0.066555 -0.137858 -0.269857 0.033086 -0.024946 14H 1px -0.001762 -0.088385 -0.216920 -0.406425 0.169316 -0.024114 14H 1py -0.017990 -0.083268 0.017321 -0.148927 -0.001093 -0.116970 15H 1s 0.022853 -0.003270 -0.023697 0.056576 0.019319 0.016577 15H 2s -0.063205 -0.137397 -0.567259 -1.168558 0.539483 -0.078431 15H 3s 0.036334 0.040308 0.155635 0.354029 -0.114198 0.062626 15H 1pz 0.016832 0.074273 0.073055 0.361414 -0.041096 0.124698 15H 1px -0.065130 0.025430 0.009152 -0.036871 0.104847 0.021507 15H 1py 0.018103 0.080608 0.244232 0.463962 -0.230161 -0.002199 16H 1s -0.015388 -0.001273 0.003642 -0.017952 -0.002564 0.029439 16H 2s -0.178043 -0.099140 -0.065878 0.275063 -0.050795 0.436039 16H 3s -0.001077 0.039518 0.031539 -0.040113 -0.013984 0.036607 16H 1pz -0.066964 -0.051546 -0.036619 0.116599 -0.017140 0.204882 16H 1px 0.000552 0.008159 0.010070 0.000148 -0.012126 0.037816 16H 1py -0.025342 0.010321 -0.017784 0.012338 0.011930 0.019709 17H 1s 0.013708 -0.007969 -0.004360 0.011840 -0.005453 0.002250 17H 2s -0.071587 -0.281020 -0.096057 0.264709 -0.138431 0.595484 17H 3s 0.059253 0.053718 0.015119 -0.027970 -0.015738 -0.059821 17H 1pz 0.036070 0.079124 0.022627 -0.091857 0.045332 -0.213355 17H 1px 0.027034 0.091477 0.031895 -0.056114 0.043382 -0.131617 17H 1py -0.007590 -0.051919 -0.027622 0.041367 -0.032946 0.076935 18H 1s 0.015313 0.005238 -0.006122 -0.011555 0.004267 0.001928 18H 2s -0.023929 0.287839 -0.135015 -0.259802 -0.054303 0.552613 18H 3s 0.048712 -0.065833 0.020415 0.026149 0.033381 -0.048411 18H 1pz -0.021768 0.087344 -0.036061 -0.092093 -0.024922 0.199921 18H 1px -0.010539 0.092718 -0.042002 -0.053408 0.001544 0.121322 18H 1py -0.001397 -0.048620 0.032877 0.036648 -0.009192 -0.065941 19H 1s -0.014311 0.004847 0.005208 0.018048 -0.006620 0.023334 19H 2s -0.162251 0.136329 -0.090609 -0.269187 -0.095691 0.422368 19H 3s -0.005625 -0.036095 0.038475 0.037358 0.003002 0.031982 19H 1pz 0.057947 -0.064889 0.047485 0.113452 0.051103 -0.192964 19H 1px 0.000490 0.007279 -0.010421 0.000898 0.000830 -0.033081 19H 1py 0.029433 0.003989 0.018026 0.012968 0.018546 -0.020788 20H 1s 0.022802 -0.004046 -0.029647 -0.053816 -0.020591 -0.009479 20H 2s -0.006743 0.106202 -0.484912 1.187236 -0.481206 -0.235723 20H 3s 0.018984 -0.036648 0.130622 -0.358780 0.090027 0.072837 20H 1pz 0.007863 0.069914 -0.050505 0.363142 -0.000186 -0.108234 20H 1px 0.069535 0.009809 -0.013552 -0.039228 0.105745 0.007601 20H 1py 0.008809 0.064579 -0.211103 0.470605 -0.215072 -0.081780 21H 1s -0.052362 -0.038339 0.135095 -0.152759 0.029745 0.035378 21H 2s 0.027989 0.165927 -0.323123 0.844129 -0.299733 -0.042096 21H 3s -0.013668 -0.085521 0.177471 -0.326014 0.132930 0.041204 21H 1pz -0.055756 -0.048389 0.121823 -0.275608 0.027441 0.005144 21H 1px -0.025387 -0.070431 0.190781 -0.411051 0.153332 0.040075 21H 1py -0.003424 -0.084333 -0.022667 -0.150391 -0.039111 0.124970 22H 1s 0.028359 0.021027 0.003716 -0.010116 0.100090 -0.015837 22H 2s 0.161450 0.385965 -0.185933 1.226303 0.096826 -0.403337 22H 3s 0.052746 -0.061393 0.106270 -0.302855 0.180057 0.061461 22H 1pz 0.010029 -0.112056 -0.006230 -0.366700 0.012951 0.111652 22H 1px 0.056786 0.093632 -0.103354 0.372884 -0.097641 -0.099312 22H 1py 0.037736 0.095401 -0.082567 0.297368 0.054727 -0.096086 23H 1s 0.139258 0.080150 0.032966 -0.032353 -0.054084 0.030141 23H 2s -0.310999 -0.651161 0.202644 0.332124 -0.443185 0.448206 23H 3s 0.188703 0.275961 -0.037264 -0.090950 0.043026 -0.042753 23H 1pz -0.024870 -0.199206 0.051928 0.033107 0.076683 -0.141598 23H 1px 0.095093 0.088515 -0.006643 -0.052206 0.064760 -0.145782 23H 1py 0.200932 0.353473 -0.064018 -0.159276 0.166333 -0.142103 24H 1s -0.040842 0.072012 -0.069407 -0.002364 0.086852 -0.021910 24H 2s -0.382346 -0.787503 0.077477 0.099481 -0.092316 0.471018 24H 3s 0.142027 0.295276 -0.055847 -0.076587 0.090835 -0.037739 24H 1pz 0.137267 0.256694 -0.008092 -0.034989 -0.035578 -0.198901 24H 1px 0.042682 0.247808 -0.075848 -0.034319 0.063171 -0.160717 24H 1py -0.081996 -0.290166 0.054520 0.080232 -0.050853 -0.100797 25H 1s -0.009473 -0.034843 0.013975 0.003905 0.041516 -0.124754 25H 2s -0.338568 -1.142504 0.212900 0.318724 -0.167533 -0.304028 25H 3s 0.135674 0.252672 -0.046994 -0.077677 0.071695 -0.168628 25H 1pz 0.162328 0.354332 -0.058172 -0.090000 0.021056 0.109066 25H 1px -0.091095 -0.378088 0.061108 0.118705 -0.102972 0.025772 25H 1py -0.035339 0.141170 -0.096470 -0.016692 0.080533 0.022592 26O 1s -0.003185 -0.002950 -0.000932 0.001201 0.004835 -0.005046 26O 2s -0.012055 -0.010162 -0.002356 0.004347 0.016985 -0.014491 26O 3s 0.102549 0.054805 -0.018409 -0.037785 -0.033253 0.062135 26O 4s -0.339859 -0.152731 0.255574 0.134688 -0.500195 0.335473 26O 5s 0.721396 0.373116 0.212933 0.074995 -1.492105 -1.268831 26O 1pz -0.113244 0.002848 -0.054093 -0.041418 -0.043532 0.072490 26O 1px -0.017743 0.015756 0.031313 0.022127 -0.218151 0.065131 26O 1py 0.073302 -0.039056 0.060300 0.017737 -0.012399 0.144327 26O 2pz 0.109151 0.004919 0.084685 0.058007 0.145958 -0.090086 26O 2px 0.003281 -0.101183 -0.224006 -0.080080 0.822731 -0.196289 26O 2py -0.035396 0.051544 -0.104906 -0.023497 0.240741 -0.235000 26O 3pz -0.151870 -0.225828 -0.269728 -0.031064 -0.149157 0.519974 26O 3px -0.068111 -0.095305 -0.407252 -0.077818 0.358924 0.610825 26O 3py 0.458245 -0.139259 0.007432 0.150409 0.304263 0.715605 26O 1dz2 -0.001753 0.004557 -0.005998 -0.005162 0.002577 -0.006636 26O 1dxz 0.001440 0.001206 -0.001016 -0.001686 -0.000253 -0.006885 26O 1dyz 0.006707 0.007925 0.000802 0.000478 -0.001657 -0.008646 26O 1dx2y2 -0.004469 0.001105 0.000397 0.000963 -0.011755 -0.000533 26O 1dxy 0.000319 0.001340 -0.001059 -0.001079 -0.010844 -0.003528 26O 2dz2 -0.002626 0.001380 -0.078379 -0.029701 0.016370 -0.040310 26O 2dxz 0.046325 0.056457 -0.026743 -0.012010 0.026245 -0.116713 26O 2dyz 0.086979 0.085814 -0.017381 -0.015243 0.027615 -0.129119 26O 2dx2y2 0.026074 0.083997 0.069360 0.024707 -0.135043 -0.007338 26O 2dxy -0.044942 0.066541 -0.019664 -0.036757 -0.061379 -0.135776 26O 1f0 0.019716 -0.009218 0.006162 0.006808 -0.000992 -0.010392 26O 1f+1 -0.006137 0.009274 -0.002805 -0.003822 -0.015616 -0.007257 26O 1f-1 -0.023259 -0.008131 -0.010251 -0.001954 -0.011625 -0.005381 26O 1f+2 -0.036116 0.014070 -0.008864 -0.006447 0.000755 0.016837 26O 1f-2 -0.013798 0.005350 -0.006855 -0.006044 0.010755 0.004632 26O 1f+3 0.052131 0.003168 0.037800 0.011090 0.015190 0.026124 26O 1f-3 -0.017260 0.002104 -0.005503 -0.004119 -0.023078 -0.006609 27O 1s -0.000432 -0.008995 -0.000635 0.000893 -0.001737 0.002827 27O 2s -0.003280 -0.031318 -0.003423 0.002382 -0.003939 0.010454 27O 3s 0.054393 0.214612 0.048087 -0.027614 0.088548 -0.076836 27O 4s -0.338774 -0.218662 -0.283613 0.229420 -0.393792 0.214441 27O 5s 0.151122 0.189511 0.787645 0.376764 -1.780549 -0.937501 27O 1pz -0.041587 0.066132 0.037062 0.041500 0.027120 0.037635 27O 1px -0.019520 0.110904 0.012717 0.099118 -0.154343 0.010039 27O 1py -0.050594 -0.016700 0.137817 0.057199 -0.050321 -0.016745 27O 2pz -0.008676 -0.097711 0.013391 -0.071525 -0.035008 -0.102666 27O 2px 0.129149 -0.238686 0.021202 -0.264357 0.656120 0.056249 27O 2py 0.062789 0.044524 -0.158305 -0.061660 -0.005920 -0.014491 27O 3pz -0.178833 0.212110 0.361757 0.087676 -0.024488 -0.077145 27O 3px 0.275447 0.264337 0.082568 -0.029816 0.637854 0.301846 27O 3py -0.260468 -0.055049 0.237605 -0.064610 -0.392685 -0.140533 27O 1dz2 -0.004624 0.000438 0.004452 -0.001577 0.008765 0.004909 27O 1dxz -0.000576 0.000682 0.003777 0.000985 0.002292 -0.001163 27O 1dyz -0.003010 0.000235 -0.003964 0.003675 0.008662 0.003168 27O 1dx2y2 -0.002055 0.006826 0.000392 0.008983 -0.009877 0.004122 27O 1dxy -0.001323 -0.001608 -0.004220 -0.001767 0.008527 0.001874 27O 2dz2 -0.037285 0.037704 0.039644 0.041990 0.091467 0.055378 27O 2dxz 0.077175 -0.014742 -0.026482 0.022521 -0.012703 0.029558 27O 2dyz -0.055015 0.016400 -0.047437 0.019232 0.086794 0.038231 27O 2dx2y2 -0.038888 0.035954 -0.016922 0.032170 -0.116181 0.004769 27O 2dxy -0.021241 0.031026 -0.075282 0.078681 0.065719 0.098764 27O 1f0 0.021119 -0.007427 -0.026545 -0.004911 -0.003444 -0.000049 27O 1f+1 0.000564 0.001725 -0.001864 0.006258 -0.017950 -0.004211 27O 1f-1 0.006299 -0.000839 -0.013736 -0.012166 0.005443 0.001290 27O 1f+2 -0.025557 0.006062 0.035638 -0.007031 0.003721 -0.007399 27O 1f-2 0.003476 -0.006670 -0.029057 -0.011922 0.006369 0.003548 27O 1f+3 0.012158 -0.008533 -0.034449 -0.014580 -0.006210 -0.003486 27O 1f-3 0.006208 -0.007762 -0.032301 -0.023400 0.023137 -0.002809 28O 1s -0.004970 0.022399 0.005140 -0.005404 -0.003950 -0.011413 28O 2s -0.017448 0.076589 0.016041 -0.018663 -0.014384 -0.037756 28O 3s 0.114371 -0.587585 -0.087030 0.145124 0.158835 0.320377 28O 4s -0.107563 1.218595 -0.060074 -0.319783 -0.471516 -0.973936 28O 5s 0.494507 -0.177264 -0.289754 -0.048606 -1.112820 -0.561220 28O 1pz 0.110571 -0.028099 0.054387 0.031248 0.080298 -0.156500 28O 1px 0.015694 0.043771 0.053131 0.000138 0.099136 0.057499 28O 1py -0.047241 0.066147 -0.045037 -0.012559 0.043326 -0.163922 28O 2pz -0.202328 -0.092853 -0.020079 0.002787 0.057071 0.519999 28O 2px 0.066735 0.158947 -0.162697 -0.067583 -0.377789 -0.420158 28O 2py -0.017033 -0.107235 0.037579 0.000368 -0.003158 0.322415 28O 3pz 0.231244 -0.150071 0.483510 0.089000 0.496902 -0.729870 28O 3px 0.410368 0.149066 -0.253499 -0.072769 -0.452541 -0.083174 28O 3py -0.223727 0.085796 -0.115772 -0.020077 0.334870 -0.579146 28O 1dz2 0.004261 0.003267 0.003583 -0.002275 -0.002200 -0.003347 28O 1dxz -0.000569 0.001883 0.001733 -0.000283 0.002065 0.010693 28O 1dyz 0.000470 0.006554 0.001494 -0.001865 -0.001843 -0.004179 28O 1dx2y2 0.004839 -0.002503 0.002827 0.002005 -0.004114 -0.000986 28O 1dxy 0.000423 -0.000127 0.000577 -0.001045 0.001381 0.007235 28O 2dz2 -0.014382 0.028515 0.034586 -0.028161 0.049498 0.098894 28O 2dxz 0.028037 0.045604 0.064961 -0.002993 0.060433 -0.060657 28O 2dyz 0.036607 0.070648 0.062792 -0.011565 -0.020734 -0.003773 28O 2dx2y2 0.078290 -0.045644 -0.011989 0.017701 -0.135091 -0.013940 28O 2dxy -0.049686 0.021379 -0.027901 -0.015559 0.019535 -0.026832 28O 1f0 0.035452 0.017545 0.017523 0.002992 0.005058 -0.001651 28O 1f+1 -0.025956 -0.008896 -0.012090 -0.001193 -0.020083 -0.009466 28O 1f-1 -0.012860 0.003979 -0.001110 -0.001733 0.014459 0.000972 28O 1f+2 0.004119 -0.022006 0.002426 0.008280 0.006150 0.015554 28O 1f-2 0.035674 -0.016143 0.015269 0.012916 -0.017144 0.009833 28O 1f+3 0.007868 -0.027110 0.006451 0.007690 -0.003066 0.013071 28O 1f-3 0.023022 -0.011504 0.015599 0.009120 -0.010440 -0.005365 29O 1s -0.010652 -0.010641 -0.010335 0.010338 -0.007865 0.030419 29O 2s -0.036032 -0.035958 -0.034993 0.034080 -0.026307 0.101508 29O 3s 0.231907 0.226924 0.227130 -0.196731 0.166574 -0.628553 29O 4s -0.349469 -0.385325 -0.327916 0.276418 -0.229638 0.904029 29O 5s 0.493194 0.791040 0.362550 -0.697413 0.300009 -1.545950 29O 1pz 0.011282 0.015028 0.030661 -0.024773 0.027903 -0.076133 29O 1px -0.059529 -0.008909 -0.058467 0.045988 -0.056363 0.212612 29O 1py 0.040093 0.079464 0.031985 -0.032459 0.011041 -0.071904 29O 2pz -0.042481 -0.006429 -0.071381 0.086131 -0.015908 0.171449 29O 2px 0.144686 0.107125 0.133629 -0.159247 0.137355 -0.537108 29O 2py -0.119585 -0.214162 -0.103842 0.146712 -0.055598 0.302888 29O 3pz -0.141262 0.173821 0.140819 -0.092504 -0.005388 -0.184183 29O 3px -0.224725 -0.195590 -0.125225 0.129836 -0.067943 0.329647 29O 3py 0.043511 0.005982 0.106040 0.127723 -0.027978 0.232465 29O 1dz2 -0.004683 -0.000722 0.000743 0.002497 -0.000575 0.002825 29O 1dxz 0.003489 -0.005157 -0.004699 0.003356 0.001473 0.006735 29O 1dyz 0.004002 0.001514 0.000463 0.000749 0.002816 -0.000146 29O 1dx2y2 0.005065 0.004163 0.002733 -0.003360 0.001018 -0.004496 29O 1dxy -0.001702 0.001403 -0.005969 -0.000505 0.000988 -0.002501 29O 2dz2 0.011160 0.000062 0.025049 -0.013138 -0.004416 -0.044191 29O 2dxz 0.018154 0.012377 -0.004930 -0.010235 0.033106 -0.014357 29O 2dyz 0.052557 -0.022094 -0.000916 -0.008828 -0.001463 -0.023920 29O 2dx2y2 0.017023 0.021817 0.012113 -0.010091 0.001153 0.010807 29O 2dxy -0.029523 -0.053932 -0.053437 0.057576 -0.034932 0.139780 29O 1f0 -0.001363 -0.004632 -0.002343 0.005558 -0.002655 0.008985 29O 1f+1 -0.000482 0.001992 0.002057 -0.002136 -0.000099 -0.005516 29O 1f-1 -0.001355 -0.001142 -0.001321 0.006435 -0.000027 0.004346 29O 1f+2 0.003718 -0.000523 0.000104 0.000905 0.001540 -0.000837 29O 1f-2 -0.002769 -0.001490 0.001457 0.000877 -0.001983 0.007231 29O 1f+3 -0.001136 -0.001420 0.001723 0.003129 0.000300 0.001848 29O 1f-3 0.003558 0.000694 0.003377 -0.000290 0.000039 -0.000413 30O 1s -0.003167 0.003956 -0.003441 -0.009823 -0.017419 -0.012374 30O 2s -0.009914 0.014272 -0.012681 -0.034166 -0.059187 -0.041189 30O 3s 0.027480 -0.087129 0.097130 0.271438 0.490365 0.282072 30O 4s 0.244945 0.017578 -0.161928 -0.618235 -1.169001 -0.390421 30O 5s 0.562280 -0.257291 0.335420 0.188845 -0.674766 -0.023512 30O 1pz 0.064075 -0.068684 -0.040275 -0.079591 -0.081518 -0.017362 30O 1px -0.069298 0.011813 0.011967 -0.056006 0.058689 -0.096743 30O 1py 0.023769 0.055923 -0.142117 -0.065011 0.000552 0.011083 30O 2pz -0.167319 0.158002 -0.032849 0.168964 0.353713 0.095340 30O 2px 0.302492 -0.113352 -0.036869 -0.057090 -0.369679 0.146066 30O 2py 0.074395 -0.141262 0.212068 0.063371 -0.216221 -0.030023 30O 3pz 0.001944 -0.031756 -0.278145 -0.173724 0.065295 -0.172927 30O 3px 0.330581 0.043076 0.199224 -0.048379 -0.417228 -0.079907 30O 3py 0.400109 0.149378 -0.449812 -0.113347 -0.336172 0.348793 30O 1dz2 0.003311 0.000410 -0.003639 -0.001045 -0.001373 -0.002705 30O 1dxz 0.000097 0.002723 -0.003643 -0.002706 0.002919 -0.004900 30O 1dyz -0.001693 0.004289 -0.001849 0.003716 0.007021 0.006317 30O 1dx2y2 0.002994 0.003312 -0.002144 0.002524 0.000495 0.004137 30O 1dxy 0.004324 -0.001242 0.001649 0.004030 -0.003481 -0.000305 30O 2dz2 -0.027832 -0.007600 0.029427 0.008747 0.038569 -0.056058 30O 2dxz -0.004036 0.016258 -0.074655 -0.064517 0.026226 -0.027667 30O 2dyz 0.025328 0.014720 -0.012450 0.049291 -0.000518 0.065598 30O 2dx2y2 0.102256 0.003515 -0.002243 0.058553 -0.119555 0.043091 30O 2dxy 0.082664 0.015207 -0.069812 0.018282 -0.018285 0.091484 30O 1f0 0.014705 -0.006957 -0.014973 -0.014937 -0.019034 -0.003564 30O 1f+1 -0.022515 0.005936 0.037181 0.022450 -0.007524 0.001888 30O 1f-1 -0.018114 0.010691 0.037029 0.015287 -0.004456 0.000680 30O 1f+2 0.002000 0.006443 -0.003959 0.023863 -0.003350 0.006275 30O 1f-2 -0.000925 -0.001774 -0.007171 -0.005760 0.017452 -0.000041 30O 1f+3 0.007880 0.004716 -0.018524 0.019580 -0.006839 0.003191 30O 1f-3 -0.003349 0.008964 0.002952 0.018934 0.001274 0.013329 31O 1s -0.003739 -0.003272 -0.002545 0.010132 0.020362 -0.005649 31O 2s -0.012016 -0.012150 -0.009488 0.035182 0.068940 -0.018360 31O 3s 0.038443 0.081919 0.071159 -0.276621 -0.553665 0.111344 31O 4s 0.260879 -0.073661 -0.104198 0.613075 1.231446 -0.074758 31O 5s 0.598355 0.132675 0.336354 -0.221291 0.695313 -0.079496 31O 1pz -0.083395 -0.049677 0.041021 -0.081865 -0.080876 0.016191 31O 1px 0.069171 -0.004016 -0.012973 -0.058080 0.026265 0.086011 31O 1py -0.013088 0.068410 0.134991 -0.071306 0.002757 -0.010146 31O 2pz 0.209905 0.117449 0.036986 0.163487 0.367090 -0.069350 31O 2px -0.326339 -0.042483 0.026466 -0.046912 -0.309512 -0.163439 31O 2py -0.103317 -0.133737 -0.205793 0.077532 -0.218030 0.003312 31O 3pz -0.022822 -0.008851 0.280076 -0.195472 0.019151 0.135764 31O 3px -0.316614 0.103094 -0.212048 -0.026298 -0.430780 0.004261 31O 3py -0.362700 0.251369 0.423945 -0.120520 -0.213306 -0.411371 31O 1dz2 0.003241 -0.001326 -0.003601 0.001192 0.002147 -0.002278 31O 1dxz -0.000398 -0.002911 -0.003419 0.002862 -0.001126 -0.004342 31O 1dyz -0.002760 -0.003836 -0.001880 -0.003710 -0.008778 0.004891 31O 1dx2y2 0.002269 -0.003988 -0.002152 -0.002489 -0.002000 0.004172 31O 1dxy 0.004509 0.000431 0.001306 -0.004152 0.003340 0.000090 31O 2dz2 -0.026212 0.014613 0.026545 -0.008087 -0.020478 -0.065353 31O 2dxz -0.004965 -0.019667 -0.071902 0.069500 -0.018660 -0.009342 31O 2dyz 0.021572 -0.018845 -0.014666 -0.049802 -0.022145 0.060153 31O 2dx2y2 0.099759 -0.024634 -0.003756 -0.061599 0.099936 0.056128 31O 2dxy 0.078523 -0.036045 -0.068664 -0.018406 -0.010729 0.087987 31O 1f0 -0.016526 -0.002534 0.014193 -0.015422 -0.019427 0.000279 31O 1f+1 0.024276 -0.001569 -0.036329 0.024091 -0.006935 -0.002566 31O 1f-1 0.020894 0.003979 -0.037279 0.017433 -0.004397 -0.001116 31O 1f+2 0.000161 0.006825 0.005034 0.023722 -0.001963 -0.004789 31O 1f-2 0.000332 -0.001364 0.007315 -0.006346 0.016963 0.002546 31O 1f+3 -0.006374 0.007403 0.019800 0.018391 -0.005827 -0.003351 31O 1f-3 0.005772 0.007644 -0.002028 0.018996 0.005412 -0.011769 32O 1s -0.008779 0.012413 -0.011718 -0.009427 -0.002348 0.029483 32O 2s -0.029664 0.041939 -0.039607 -0.030980 -0.007785 0.098432 32O 3s 0.190878 -0.265367 0.254913 0.176249 0.044922 -0.611244 32O 4s -0.275227 0.442927 -0.371635 -0.245701 -0.073747 0.872361 32O 5s 0.339110 -0.872077 0.464209 0.664921 0.209137 -1.444759 32O 1pz -0.009432 0.014365 -0.032592 -0.021645 0.001483 0.076187 32O 1px 0.060927 -0.022083 0.062419 0.041606 0.016105 -0.209301 32O 1py -0.023851 0.084830 -0.040284 -0.029333 -0.013340 0.068641 32O 2pz 0.043040 -0.008501 0.074476 0.076988 0.043052 -0.163795 32O 2px -0.130918 0.136313 -0.152882 -0.149840 -0.043195 0.519286 32O 2py 0.079060 -0.229524 0.129455 0.137748 0.045598 -0.284019 32O 3pz 0.168288 0.132114 -0.160349 -0.088946 -0.063098 0.156991 32O 3px 0.184452 -0.236182 0.147020 0.114218 0.041826 -0.310028 32O 3py -0.036521 0.005594 -0.097461 0.139222 0.049012 -0.219997 32O 1dz2 -0.004594 0.001843 0.000477 -0.002444 -0.000455 0.003062 32O 1dxz 0.004284 0.004037 -0.005254 -0.003166 -0.003504 0.005075 32O 1dyz 0.003521 -0.002242 0.000448 -0.000964 -0.002833 -0.000129 32O 1dx2y2 0.004202 -0.005003 0.003273 0.002993 0.000438 -0.004153 32O 1dxy -0.001978 -0.001399 -0.005809 0.000996 -0.000112 -0.002590 32O 2dz2 0.010367 -0.002040 0.025253 0.010897 0.016848 -0.038390 32O 2dxz 0.015491 -0.017738 -0.002632 0.010728 -0.028125 -0.022960 32O 2dyz 0.056453 0.009320 -0.001796 0.008230 0.010788 -0.025695 32O 2dx2y2 0.011608 -0.025441 0.014918 0.008700 -0.005459 0.010535 32O 2dxy -0.020668 0.055908 -0.060813 -0.053269 -0.011396 0.128387 32O 1f0 0.000506 -0.004636 0.002904 0.005019 0.000172 -0.008499 32O 1f+1 0.000688 0.001949 -0.002357 -0.002205 -0.001884 0.005411 32O 1f-1 0.001221 -0.001676 0.002004 0.006693 0.001447 -0.004744 32O 1f+2 -0.003871 0.000360 -0.000044 0.000804 0.001120 0.001639 32O 1f-2 0.002438 -0.001993 -0.001346 0.000804 0.000354 -0.006766 32O 1f+3 0.000956 -0.001899 -0.001339 0.003281 0.000891 -0.001773 32O 1f-3 -0.003401 0.001055 -0.003361 0.000123 0.000031 0.000096 33O 1s -0.009643 -0.020478 0.006933 0.005189 0.007010 -0.004939 33O 2s -0.033391 -0.069992 0.022190 0.018036 0.024377 -0.015476 33O 3s 0.234446 0.543777 -0.133732 -0.142357 -0.240605 0.125303 33O 4s -0.345599 -1.173749 0.035091 0.329745 0.720217 -0.464121 33O 5s 0.565551 0.035262 -0.304296 0.047267 1.201342 -0.088751 33O 1pz -0.112459 -0.004766 -0.052162 0.036077 0.028208 0.156048 33O 1px 0.001401 0.041412 -0.058486 0.004190 0.108978 -0.009363 33O 1py 0.058345 0.056873 0.043937 -0.018854 -0.013795 0.163579 33O 2pz 0.184723 -0.139288 0.025892 -0.000313 0.205528 -0.384065 33O 2px -0.055433 0.184741 0.153647 -0.077312 -0.474604 0.184927 33O 2py -0.003309 -0.108559 -0.036936 0.004531 0.100898 -0.279707 33O 3pz -0.249725 -0.123619 -0.475355 0.122244 0.229137 0.866162 33O 3px -0.372303 0.249575 0.235767 -0.075825 -0.433762 -0.161598 33O 3py 0.230359 0.048051 0.118517 -0.039369 0.130918 0.628462 33O 1dz2 0.003620 -0.003947 0.004087 0.001908 0.003036 -0.002088 33O 1dxz -0.001237 -0.001446 0.002054 0.000145 -0.005313 0.007945 33O 1dyz -0.000702 -0.006445 0.001995 0.001739 0.003001 -0.002847 33O 1dx2y2 0.005277 0.001596 0.002517 -0.002255 0.003975 0.001052 33O 1dxy 0.000415 0.000137 0.000586 0.000935 -0.003527 0.005760 33O 2dz2 -0.020475 -0.021897 0.039365 0.025734 -0.076223 0.049794 33O 2dxz 0.015091 -0.046429 0.069746 -0.001459 -0.036423 -0.075759 33O 2dyz 0.020493 -0.071673 0.068780 0.005746 0.022370 -0.005145 33O 2dx2y2 0.088230 0.026860 -0.016225 -0.019654 0.128232 0.049653 33O 2dxy -0.051014 -0.013749 -0.027276 0.019228 -0.010972 -0.021822 33O 1f0 -0.030482 0.023202 -0.019387 0.005514 0.004678 0.002671 33O 1f+1 0.022941 -0.013210 0.013686 -0.002814 -0.022157 -0.000400 33O 1f-1 0.013500 0.001318 0.000839 -0.002310 0.013274 0.006834 33O 1f+2 -0.008310 -0.021011 -0.000655 0.008782 0.010489 -0.010483 33O 1f-2 -0.037497 -0.009516 -0.013824 0.015347 -0.011920 -0.018332 33O 1f+3 -0.012972 -0.025322 -0.004343 0.008668 0.001171 -0.012562 33O 1f-3 -0.024479 -0.007322 -0.014476 0.010960 -0.010815 -0.001250 34O 1s 0.001653 0.008831 -0.001223 -0.000866 0.000945 0.001723 34O 2s 0.003996 0.031042 -0.005433 -0.002177 0.001111 0.005891 34O 3s 0.005505 -0.218490 0.060980 0.024787 -0.067865 -0.049787 34O 4s -0.297552 0.273398 -0.299951 -0.211504 0.339653 0.179675 34O 5s 0.092076 -0.175793 0.792853 -0.429279 2.034536 -0.507109 34O 1pz 0.057318 0.051304 -0.040347 0.044268 0.039394 -0.056550 34O 1px 0.048555 0.100516 -0.015666 0.100441 -0.146102 -0.054592 34O 1py 0.046578 -0.036056 -0.133173 0.064144 -0.053154 -0.001099 34O 2pz -0.014494 -0.094877 -0.009553 -0.072974 -0.068961 0.132506 34O 2px -0.195624 -0.200448 -0.011251 -0.265635 0.664107 0.083095 34O 2py -0.051072 0.067310 0.148710 -0.067834 -0.015212 0.032105 34O 3pz 0.225313 0.143540 -0.373210 0.111856 -0.048833 0.005989 34O 3px -0.212715 0.304393 -0.096512 -0.008157 0.716544 -0.199330 34O 3py 0.239511 -0.124842 -0.241613 -0.058755 -0.409554 0.030751 34O 1dz2 -0.004523 0.000874 0.004462 0.001353 -0.010183 0.003672 34O 1dxz -0.000659 -0.000306 0.003705 -0.001188 -0.001777 -0.001142 34O 1dyz -0.003108 0.000160 -0.004365 -0.003255 -0.009325 0.000341 34O 1dx2y2 -0.003888 -0.005997 0.000406 -0.008997 0.008260 0.006157 34O 1dxy -0.000862 0.001599 -0.004314 0.002109 -0.008797 -0.000782 34O 2dz2 -0.045634 -0.025239 0.037890 -0.044156 -0.107427 0.046715 34O 2dxz 0.080160 -0.003863 -0.029926 -0.022303 0.002650 0.037875 34O 2dyz -0.058896 -0.006786 -0.049134 -0.014529 -0.095848 0.010486 34O 2dx2y2 -0.048008 -0.026907 -0.016186 -0.029465 0.109641 0.034436 34O 2dxy -0.030609 -0.029026 -0.080216 -0.072171 -0.095354 0.079686 34O 1f0 -0.022865 -0.000852 0.026934 -0.006424 -0.003532 0.003164 34O 1f+1 -0.000035 0.001894 0.001976 0.006181 -0.018967 0.000500 34O 1f-1 -0.006815 0.001441 0.013134 -0.012795 0.005728 -0.000955 34O 1f+2 0.026712 -0.001910 -0.036868 -0.005056 0.001373 0.002978 34O 1f-2 -0.005381 -0.003757 0.028942 -0.013771 0.007045 0.000204 34O 1f+3 -0.014159 -0.003387 0.033874 -0.016280 -0.007855 0.005667 34O 1f-3 -0.008514 -0.004003 0.031819 -0.025466 0.021503 0.006986 35O 1s -0.002286 0.003353 -0.001114 -0.001031 -0.002631 -0.006955 35O 2s -0.008933 0.011897 -0.002988 -0.003785 -0.010269 -0.021986 35O 3s 0.082521 -0.074391 -0.013555 0.036326 0.004625 0.082370 35O 4s -0.284014 0.241589 0.232525 -0.148293 0.375283 0.467316 35O 5s 0.621866 -0.503177 0.204390 -0.119269 1.745320 -0.215169 35O 1pz 0.106735 -0.018070 0.051433 -0.047880 -0.023324 -0.054391 35O 1px 0.021599 0.008201 -0.026475 0.024534 -0.183196 -0.158868 35O 1py -0.077116 -0.026012 -0.058582 0.026690 0.038489 -0.152566 35O 2pz -0.096433 0.023965 -0.080902 0.064834 0.115251 0.098939 35O 2px -0.022810 -0.077326 0.212677 -0.100877 0.703374 0.558175 35O 2py 0.045449 0.047761 0.098675 -0.036587 0.142087 0.351167 35O 3pz 0.101881 -0.234997 0.283693 -0.052400 0.012567 -0.437064 35O 3px 0.054260 -0.080868 0.401579 -0.110264 0.511756 -0.303761 35O 3py -0.462404 -0.048095 0.004463 0.173386 0.516312 -0.512622 35O 1dz2 -0.002465 -0.004456 -0.005316 0.005730 -0.000084 -0.008281 35O 1dxz 0.001119 -0.001564 -0.000877 0.001707 0.002371 -0.005485 35O 1dyz 0.004793 -0.009233 0.001277 -0.000757 0.004023 -0.005173 35O 1dx2y2 -0.004506 -0.000019 0.000261 -0.000908 0.011074 0.005274 35O 1dxy 0.000066 -0.001542 -0.001072 0.001054 0.011226 0.002557 35O 2dz2 -0.001617 -0.005806 -0.075587 0.035426 0.000010 -0.055743 35O 2dxz 0.034409 -0.065097 -0.020866 0.011863 0.012467 -0.110661 35O 2dyz 0.067022 -0.104765 -0.010203 0.013728 0.012151 -0.104775 35O 2dx2y2 0.007939 -0.079297 0.071693 -0.031447 0.128002 0.052756 35O 2dxy -0.056114 -0.060228 -0.014341 0.040895 0.097029 -0.075832 35O 1f0 -0.021215 -0.005141 -0.005312 0.007974 -0.003138 0.004256 35O 1f+1 0.007486 0.007928 0.002175 -0.004117 -0.017209 0.000466 35O 1f-1 0.020328 -0.012035 0.011161 -0.003454 -0.013027 0.001135 35O 1f+2 0.037929 0.006507 0.008104 -0.008377 0.004644 -0.008529 35O 1f-2 0.014739 0.002937 0.006230 -0.007112 0.010854 0.002199 35O 1f+3 -0.049001 0.010983 -0.038622 0.015892 0.023679 -0.021045 35O 1f-3 0.016426 -0.001040 0.005748 -0.005047 -0.023756 -0.004249 492 493 494 495 496 497 3.05216 3.06211 3.07403 3.08782 3.09302 3.09702 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s -0.000793 0.000987 -0.001292 -0.000206 0.000030 0.001747 0Rh 2s 0.006668 -0.008227 0.010531 0.004273 0.000010 -0.008717 0Rh 3s -0.000660 0.000864 -0.001286 0.001369 0.000187 0.005078 0Rh 4s -0.035355 0.043501 -0.056479 -0.022470 0.000098 0.046367 0Rh 5s 0.072973 -0.087994 0.123216 0.054108 -0.001150 -0.072015 0Rh 6s -0.055578 0.060371 -0.129387 -0.070466 0.006235 -0.043514 0Rh 7s -0.131446 -0.036100 -0.347237 0.228073 0.135585 0.594830 0Rh 8s -0.090267 0.062503 -0.462374 -0.120853 0.167638 -0.226247 0Rh 1pz -0.000846 -0.000278 -0.004123 0.001300 0.000764 -0.005592 0Rh 1px 0.000233 0.000626 0.008874 0.002398 -0.002435 0.004145 0Rh 1py -0.001015 -0.003881 0.001965 0.001669 -0.000342 0.005202 0Rh 2pz 0.003360 0.000933 0.015049 -0.005075 -0.002910 0.021450 0Rh 2px -0.000902 -0.002654 -0.033100 -0.008798 0.009024 -0.015214 0Rh 2py 0.004167 0.014774 -0.007531 -0.006753 0.001892 -0.020120 0Rh 3pz -0.009572 0.001418 -0.016113 0.012449 0.005924 -0.046607 0Rh 3px 0.002061 0.011213 0.050315 0.010140 -0.012370 0.017278 0Rh 3py -0.014772 -0.030769 0.016353 0.022491 -0.015970 0.046664 0Rh 4pz 0.015124 -0.017962 -0.053380 -0.012087 -0.003111 0.035009 0Rh 4px -0.001281 -0.029366 0.055658 0.029539 -0.021715 0.054960 0Rh 4py 0.032670 0.024385 -0.012515 -0.048189 0.054020 -0.042515 0Rh 5pz -0.027348 0.049172 0.152469 0.016644 0.000561 -0.048234 0Rh 5px -0.002598 0.055351 -0.221526 -0.086648 0.076941 -0.176982 0Rh 5py -0.066396 -0.052154 0.020752 0.095364 -0.103277 0.052685 0Rh 6pz 0.072298 0.423812 -1.134176 -0.243168 0.104444 -0.621308 0Rh 6px 0.118769 0.417584 1.859633 0.040492 -0.730565 0.375782 0Rh 6py 0.635747 -1.339078 -0.023993 0.624140 0.556395 0.358486 0Rh 1dz2 -0.000025 -0.002434 0.001017 -0.015857 -0.009347 0.015477 0Rh 1dxz 0.007175 -0.003280 0.014807 -0.005203 -0.011813 0.006530 0Rh 1dyz -0.007193 0.011145 0.008537 0.018632 -0.000566 -0.001719 0Rh 1dx2y2 -0.003417 0.000642 -0.017378 -0.021946 0.005579 -0.010150 0Rh 1dxy 0.002588 -0.007673 -0.018674 0.003197 -0.006287 -0.003931 0Rh 2dz2 -0.001783 -0.001106 0.002322 -0.003090 0.000416 0.001054 0Rh 2dxz 0.001455 -0.000283 0.003700 -0.002044 -0.001480 0.000332 0Rh 2dyz -0.004947 0.000302 0.003568 0.002169 0.005842 -0.000238 0Rh 2dx2y2 -0.000862 0.000222 -0.005283 -0.002534 0.002119 0.001001 0Rh 2dxy -0.001203 -0.001861 -0.003226 0.000217 0.001539 -0.000856 0Rh 3dz2 0.008318 0.012733 -0.013992 0.064235 0.027569 -0.053692 0Rh 3dxz -0.029055 0.011521 -0.063825 0.025584 0.044213 -0.022304 0Rh 3dyz 0.045267 -0.035936 -0.043176 -0.068125 -0.024914 0.006694 0Rh 3dx2y2 0.014627 -0.002757 0.079127 0.080764 -0.027382 0.027787 0Rh 3dxy -0.002593 0.032628 0.073448 -0.010887 0.012746 0.016274 0Rh 4dz2 -0.028024 -0.020632 0.039349 -0.068248 -0.007397 0.036189 0Rh 4dxz 0.029635 -0.007188 0.080503 -0.033825 -0.039370 0.016690 0Rh 4dyz -0.083944 0.010912 0.063593 0.046877 0.082729 -0.008472 0Rh 4dx2y2 -0.016696 -0.000350 -0.108521 -0.067582 0.040636 -0.004254 0Rh 4dxy -0.014645 -0.037821 -0.072179 0.003308 0.014662 -0.017765 0Rh 5dz2 0.069347 0.061724 -0.094628 0.071227 0.008657 0.051692 0Rh 5dxz -0.008215 -0.028079 -0.124811 0.019759 -0.012830 -0.003479 0Rh 5dyz 0.118781 0.155411 -0.038304 0.173803 -0.048435 0.043491 0Rh 5dx2y2 -0.003716 0.040093 0.195524 0.016025 -0.041378 -0.042562 0Rh 5dxy 0.040425 0.062441 0.046899 0.070378 -0.033730 0.016067 0Rh 1f0 -0.003027 0.031197 0.005349 -0.003768 -0.018927 -0.001406 0Rh 1f+1 -0.012009 0.002368 -0.007649 -0.008527 0.011111 -0.004583 0Rh 1f-1 -0.011566 0.025040 -0.015220 0.005823 -0.020087 0.004963 0Rh 1f+2 0.002880 0.016809 -0.033467 0.000740 0.008645 -0.040418 0Rh 1f-2 -0.013415 0.008424 -0.012120 -0.025298 0.001170 -0.015049 0Rh 1f+3 -0.001882 -0.011961 -0.018881 -0.004815 0.016348 -0.000747 0Rh 1f-3 -0.011710 0.007569 -0.014610 0.015932 -0.016351 -0.001936 1Rh 1s 0.000232 0.000982 0.001288 -0.000185 -0.000036 0.001727 1Rh 2s -0.003927 -0.008143 -0.010365 0.004025 0.000721 -0.008646 1Rh 3s -0.001003 0.000885 0.001365 0.001346 0.000223 0.004998 1Rh 4s 0.020828 0.043058 0.055613 -0.021153 -0.003935 0.045967 1Rh 5s -0.051095 -0.086922 -0.121131 0.051053 0.011336 -0.071328 1Rh 6s 0.071922 0.058952 0.126947 -0.066787 -0.022937 -0.043786 1Rh 7s -0.069568 -0.037377 0.348813 0.238103 -0.066639 0.589013 1Rh 8s 0.150803 0.060507 0.459615 -0.103977 -0.197690 -0.234975 1Rh 1pz -0.000526 0.000293 -0.003765 -0.001391 0.000726 0.005637 1Rh 1px 0.002069 -0.000686 0.008923 -0.002107 -0.003016 -0.004286 1Rh 1py -0.000136 0.003910 0.001771 -0.001647 -0.000864 -0.005144 1Rh 2pz 0.002083 -0.000993 0.013686 0.005427 -0.002750 -0.021578 1Rh 2px -0.007791 0.002879 -0.033296 0.007724 0.011150 0.015744 1Rh 2py 0.000820 -0.014870 -0.006783 0.006578 0.003931 0.019879 1Rh 3pz -0.005403 -0.001297 -0.013303 -0.013298 0.005366 0.045987 1Rh 3px 0.013560 -0.011583 0.050921 -0.008730 -0.014684 -0.018189 1Rh 3py -0.007808 0.030629 0.014627 -0.020265 -0.021193 -0.045805 1Rh 4pz 0.004137 0.017886 -0.055165 0.013167 -0.002276 -0.031157 1Rh 4px 0.005053 0.029090 0.054314 -0.026584 -0.029475 -0.055188 1Rh 4py 0.027361 -0.023037 -0.010807 0.039953 0.061272 0.040759 1Rh 5pz 0.003832 -0.049055 0.155016 -0.018310 -0.000679 0.040294 1Rh 5px -0.035762 -0.053880 -0.218280 0.076094 0.099476 0.177638 1Rh 5py -0.055189 0.049275 0.017900 -0.079533 -0.116556 -0.050031 1Rh 6pz 0.284867 -0.424461 -1.092724 0.229467 0.181921 0.643845 1Rh 6px 0.371941 -0.437555 1.870855 0.060720 -0.740946 -0.355740 1Rh 6py 0.680692 1.364922 -0.026558 -0.692803 0.425925 -0.356122 1Rh 1dz2 -0.000762 -0.001951 -0.001037 -0.016985 0.007493 0.014615 1Rh 1dxz -0.011113 -0.002807 -0.014910 -0.007048 0.011095 0.006162 1Rh 1dyz 0.005826 0.011685 -0.008154 0.018530 0.002869 -0.001444 1Rh 1dx2y2 0.007647 0.000577 0.016838 -0.020671 -0.009499 -0.009089 1Rh 1dxy -0.000148 -0.007671 0.018701 0.002035 0.006419 -0.004449 1Rh 2dz2 0.002032 -0.001033 -0.002381 -0.002937 -0.000802 0.001055 1Rh 2dxz -0.001656 -0.000258 -0.003752 -0.002187 0.001147 0.000442 1Rh 2dyz 0.004739 0.000384 -0.003519 0.003076 -0.005451 -0.000037 1Rh 2dx2y2 0.000841 0.000257 0.005296 -0.002255 -0.002471 0.000976 1Rh 2dxy 0.001232 -0.001859 0.003211 0.000410 -0.001486 -0.000940 1Rh 3dz2 -0.006931 0.010890 0.014325 0.067083 -0.019942 -0.050981 1Rh 3dxz 0.042333 0.009923 0.064377 0.032082 -0.040448 -0.021635 1Rh 3dyz -0.040017 -0.038004 0.041766 -0.071953 0.015925 0.004906 1Rh 3dx2y2 -0.027830 -0.002709 -0.077473 0.075455 0.041358 0.024556 1Rh 3dxy -0.005198 0.032612 -0.073459 -0.008112 -0.013386 0.018292 1Rh 4dz2 0.029568 -0.018945 -0.040270 -0.067579 -0.000931 0.035124 1Rh 4dxz -0.037979 -0.006232 -0.081259 -0.038654 0.034062 0.017788 1Rh 4dyz 0.078791 0.012880 -0.062719 0.059862 -0.075059 -0.005210 1Rh 4dx2y2 0.022914 0.000100 0.107772 -0.061530 -0.051272 -0.003329 1Rh 4dxy 0.018427 -0.037735 0.071906 0.004680 -0.014208 -0.019649 1Rh 5dz2 -0.073992 0.060872 0.096962 0.069502 0.001211 0.047237 1Rh 5dxz 0.001675 -0.025632 0.124983 0.013971 0.016091 -0.011746 1Rh 5dyz -0.112478 0.152702 0.043604 0.162979 0.066836 0.041958 1Rh 5dx2y2 0.015502 0.037190 -0.195012 0.014412 0.040017 -0.031849 1Rh 5dxy -0.027831 0.061191 -0.044292 0.065261 0.040479 0.018212 1Rh 1f0 -0.002026 -0.032006 0.006404 0.006505 -0.017311 0.002299 1Rh 1f+1 -0.013997 -0.001871 -0.007852 0.006783 0.012581 0.003634 1Rh 1f-1 -0.024969 -0.025794 -0.016638 -0.002782 -0.019746 -0.004629 1Rh 1f+2 0.005304 -0.016686 -0.031052 -0.002017 0.009724 0.040566 1Rh 1f-2 -0.018892 -0.008577 -0.010680 0.024707 0.005307 0.015099 1Rh 1f+3 -0.005970 0.012689 -0.020460 0.002646 0.016820 -0.000382 1Rh 1f-3 -0.013194 -0.008015 -0.014520 -0.013645 -0.017675 0.002140 2C 1s 0.017654 -0.008819 0.004930 -0.008066 -0.005558 -0.014055 2C 2s 0.047708 -0.024335 0.013348 -0.024194 -0.012792 -0.039550 2C 3s 0.318764 -0.090517 -0.039939 0.094103 -0.087398 0.046935 2C 4s -2.614308 0.972936 -0.004465 0.091659 0.582324 0.653297 2C 5s 0.945114 -0.158709 -0.821379 -0.382381 0.359350 0.196451 2C 1pz 0.095436 -0.030430 0.005643 0.058089 -0.074427 -0.026436 2C 1px -0.008701 0.030370 0.016071 0.021460 -0.007881 0.010485 2C 1py 0.099573 -0.046887 0.022567 -0.019379 -0.031683 0.026086 2C 2pz -0.436897 0.129733 0.375633 -0.558261 -0.038855 -0.138228 2C 2px 0.172552 -0.238841 -0.129170 -0.207870 -0.177203 -0.224859 2C 2py -0.526270 0.148108 0.042251 0.250014 -0.146060 -0.401237 2C 3pz 0.038688 0.000303 -0.032456 -0.070379 0.067249 0.243913 2C 3px 0.119388 -0.018174 -0.208048 -0.151162 0.098331 0.024916 2C 3py -0.099966 0.093715 -0.192804 0.160000 -0.021926 -0.098329 2C 1dz2 0.106715 0.034077 -0.120124 0.098845 0.043528 -0.214069 2C 1dxz -0.021098 -0.037906 0.088232 0.034508 -0.014249 0.047938 2C 1dyz 0.000144 -0.050488 0.089641 -0.111314 -0.007964 0.090317 2C 1dx2y2 -0.226329 0.102152 0.116946 0.253917 0.056574 0.032124 2C 1dxy -0.192756 0.120223 0.054239 0.296402 -0.004066 -0.094077 2C 2dz2 -0.113080 0.010295 0.259499 -0.249362 -0.108129 0.158698 2C 2dxz -0.118814 0.044993 -0.094990 0.014580 0.107922 -0.069275 2C 2dyz -0.099535 0.019278 0.029265 0.106925 -0.308884 -0.354259 2C 2dx2y2 0.281512 -0.169727 -0.179479 -0.138716 -0.234578 -0.094588 2C 2dxy 0.258218 -0.179746 0.012248 -0.461274 0.126166 0.134209 2C 1f0 -0.039087 -0.014762 0.014727 -0.009466 -0.139465 0.023326 2C 1f+1 0.006173 -0.024951 -0.028279 -0.082786 0.031432 0.046202 2C 1f-1 -0.011742 -0.028840 0.077170 0.049212 -0.166572 -0.054094 2C 1f+2 -0.010414 -0.039252 -0.000768 -0.052733 -0.051205 0.016666 2C 1f-2 -0.099219 0.074507 -0.045771 -0.076361 0.130128 0.060454 2C 1f+3 0.048962 0.018999 0.026837 -0.029473 -0.000821 -0.054269 2C 1f-3 0.080583 -0.016797 0.025143 -0.014144 -0.028286 -0.029481 3C 1s -0.004324 0.013419 0.009553 0.003056 0.000980 -0.011301 3C 2s -0.012280 0.033901 0.024336 0.010504 0.000125 -0.032272 3C 3s -0.073100 0.350932 0.153331 -0.015401 0.111449 0.015353 3C 4s 0.491585 -2.501891 -1.360582 -0.149219 -0.569500 0.886983 3C 5s -0.348363 0.820913 0.285293 -0.117818 -0.148037 1.019582 3C 1pz -0.018035 0.106354 0.051885 0.046575 0.027158 -0.002026 3C 1px 0.018091 -0.023838 0.001272 0.016022 -0.007406 -0.001686 3C 1py 0.032322 -0.139299 -0.073128 0.054714 -0.073306 -0.000831 3C 2pz -0.076512 -0.709603 -0.324628 -0.482431 -0.232878 0.182507 3C 2px -0.245342 0.348323 0.031955 -0.267189 0.311145 0.087167 3C 2py -0.102383 0.619478 0.184554 -0.259802 0.267691 0.022827 3C 3pz -0.068067 -0.059640 0.034908 -0.296945 -0.055981 0.104031 3C 3px -0.116601 0.139867 -0.113935 -0.143533 0.170343 0.481265 3C 3py -0.070568 -0.033609 -0.077754 -0.079086 0.039184 -0.201711 3C 1dz2 -0.115348 0.136944 0.063246 0.453911 -0.113312 0.026994 3C 1dxz -0.127947 0.223034 0.063734 0.026347 0.083496 0.108370 3C 1dyz 0.014822 0.000925 0.004299 -0.064538 0.013861 0.031699 3C 1dx2y2 0.086444 -0.199145 0.017218 0.012341 -0.139111 -0.244946 3C 1dxy -0.137931 0.166686 -0.065712 -0.174243 0.173297 0.387218 3C 2dz2 -0.064737 -0.119317 -0.073770 -0.604361 0.074043 0.059810 3C 2dxz 0.274200 -0.704542 -0.318234 0.223972 -0.388724 -0.073229 3C 2dyz -0.062916 -0.113561 -0.159647 0.236695 -0.209424 0.027225 3C 2dx2y2 0.057245 0.364089 0.046534 0.039813 0.262736 0.134461 3C 2dxy 0.269974 -0.186283 0.076318 0.273222 -0.170996 -0.340187 3C 1f0 -0.010232 -0.064472 -0.068924 0.072134 -0.064931 0.039668 3C 1f+1 0.006428 0.052831 0.022685 -0.023353 0.022447 0.048526 3C 1f-1 -0.103142 -0.095123 -0.061361 0.142071 -0.137408 0.067159 3C 1f+2 -0.030379 -0.060374 -0.074158 0.088464 -0.090717 0.094529 3C 1f-2 -0.055566 0.148315 0.136414 -0.009390 0.027598 -0.149474 3C 1f+3 -0.045407 -0.044086 -0.036114 0.060040 -0.061284 0.075582 3C 1f-3 0.112747 -0.145585 -0.118720 0.025725 -0.020229 0.056530 4C 1s -0.000181 0.002981 0.002260 0.006291 -0.005554 0.001702 4C 2s 0.004258 0.007548 0.007068 0.019806 -0.018523 0.004557 4C 3s -0.724989 0.116099 0.094809 -0.113499 -0.071053 -0.140938 4C 4s 3.183851 -0.583300 -0.797294 0.084924 0.837530 0.634067 4C 5s 1.055007 -0.487022 -0.353991 -0.503739 0.481141 -0.213331 4C 1pz 0.105472 -0.062880 -0.014034 -0.059685 -0.010222 -0.057545 4C 1px 0.051268 -0.017463 0.046890 -0.009070 -0.084525 -0.025205 4C 1py 0.068471 -0.042585 0.004585 -0.002552 -0.054802 -0.063974 4C 2pz -0.383765 0.310611 0.130836 -0.044292 0.116462 0.069119 4C 2px -0.014285 -0.154968 -0.187162 -0.091567 0.578427 0.004392 4C 2py -0.210147 0.092415 0.020601 -0.262924 0.297420 0.185338 4C 3pz 0.549748 -0.098530 -0.884804 -0.318436 0.536943 0.211047 4C 3px 0.472085 -0.363167 0.353041 0.273025 -0.859490 -0.371683 4C 3py 0.827673 -0.286590 -0.300575 -0.246338 0.365345 0.176814 4C 1dz2 0.086497 -0.012553 0.013972 0.001581 0.078199 -0.044336 4C 1dxz 0.193950 -0.091990 0.049133 0.105502 -0.116961 -0.127680 4C 1dyz 0.027382 -0.042930 0.061773 -0.046010 -0.146257 -0.111577 4C 1dx2y2 -0.065532 0.020122 0.001606 0.123815 0.015833 -0.089673 4C 1dxy -0.139568 0.079637 0.115439 0.051025 -0.236134 0.040974 4C 2dz2 0.063276 -0.035993 0.085863 0.031246 -0.440936 0.071994 4C 2dxz -0.308173 0.025877 -0.143401 -0.229160 0.414579 0.163815 4C 2dyz 0.381997 -0.013945 -0.155809 0.118454 0.312586 0.132446 4C 2dx2y2 0.375046 -0.073583 -0.054474 -0.455607 0.269881 0.239318 4C 2dxy 0.316367 -0.296839 -0.338367 -0.020299 0.541340 0.008665 4C 1f0 -0.054453 -0.035216 -0.051699 0.091046 -0.068529 -0.037508 4C 1f+1 -0.236139 0.140176 0.063507 0.122776 -0.074036 -0.020908 4C 1f-1 -0.022103 0.031256 0.015738 0.036523 -0.116452 -0.004482 4C 1f+2 0.057594 -0.016695 0.017800 0.004609 -0.006014 -0.024073 4C 1f-2 -0.025519 -0.022253 0.044802 0.003910 -0.008837 0.051101 4C 1f+3 -0.011421 -0.045780 0.072738 0.091337 -0.026718 0.044160 4C 1f-3 -0.106466 0.026083 0.081572 0.004424 -0.102416 0.002217 5C 1s 0.001803 0.003398 0.004237 -0.006772 0.005604 -0.000818 5C 2s 0.003494 0.013786 0.015175 -0.021467 0.017103 -0.002621 5C 3s 0.432515 -0.367217 -0.074259 -0.085906 0.285868 -0.163095 5C 4s -1.984667 1.382430 0.017632 0.769249 -1.655054 0.734785 5C 5s -1.040659 0.036119 -0.410874 1.005115 -1.404370 0.047218 5C 1pz 0.003046 0.063047 0.015204 -0.013541 0.020651 -0.037930 5C 1px -0.015589 0.109976 0.142335 -0.030945 0.086910 -0.004940 5C 1py -0.019161 -0.135374 -0.061374 -0.032619 -0.053715 0.070791 5C 2pz -0.338550 -0.471743 -0.242797 0.094640 -0.484696 0.298953 5C 2px -0.078388 -0.647759 -0.694550 0.475148 -0.655054 0.175602 5C 2py 0.474995 0.929881 0.575093 0.115642 0.785896 -0.559736 5C 3pz -0.108547 -0.078122 -0.348260 0.439426 -0.458254 0.824082 5C 3px -0.202421 1.142398 0.971432 -0.321693 0.189398 -0.408328 5C 3py 0.715529 -0.250838 0.054001 -0.170294 0.739686 -1.043087 5C 1dz2 -0.177069 -0.045206 -0.117484 0.196828 -0.182721 0.147560 5C 1dxz -0.200397 0.184357 0.150271 0.103111 -0.126317 -0.171242 5C 1dyz 0.022278 0.014425 -0.030219 -0.049962 -0.038922 0.026937 5C 1dx2y2 -0.013849 0.046111 0.110423 -0.031811 0.075306 -0.115203 5C 1dxy 0.006284 -0.227318 -0.165783 0.208982 -0.185948 0.015771 5C 2dz2 0.526877 -0.047517 0.216013 -0.586170 0.519492 -0.255432 5C 2dxz 0.345606 -0.069771 -0.091213 -0.310856 0.415988 -0.045088 5C 2dyz 0.196688 -0.335654 -0.131030 0.180232 0.136689 -0.035469 5C 2dx2y2 -0.268854 -0.465106 -0.628283 0.312361 -0.539980 0.550813 5C 2dxy -0.206659 0.445984 0.395102 -0.577319 0.356887 0.071280 5C 1f0 0.021501 -0.034966 -0.036155 0.049752 0.033794 -0.050112 5C 1f+1 0.101152 0.034884 0.094037 -0.002207 0.084751 -0.117072 5C 1f-1 -0.027431 -0.076659 -0.018666 -0.015856 -0.043001 -0.017353 5C 1f+2 0.070199 -0.124931 -0.019011 0.017767 -0.077322 -0.084070 5C 1f-2 -0.115544 0.147164 0.042053 -0.001148 -0.057513 0.025694 5C 1f+3 0.104026 -0.016900 0.116487 -0.160847 0.069180 -0.086117 5C 1f-3 -0.081330 0.000790 0.000279 0.195945 -0.167326 -0.003179 6C 1s -0.003046 0.003358 -0.004374 -0.005869 -0.006562 -0.000402 6C 2s -0.007758 0.013831 -0.015678 -0.018656 -0.020216 -0.001337 6C 3s -0.317404 -0.395018 0.075734 -0.045959 -0.296373 -0.147837 6C 4s 1.507429 1.503540 -0.023766 0.527244 1.759120 0.633433 6C 5s 1.064828 0.082421 0.422348 0.785835 1.534641 -0.037821 6C 1pz 0.002271 -0.064892 0.017021 0.009842 0.026026 0.036983 6C 1px -0.006999 -0.108743 0.141408 0.015348 0.092605 -0.001689 6C 1py -0.019865 0.137919 -0.063391 0.040915 -0.054219 -0.068944 6C 2pz -0.444690 0.472621 -0.249098 -0.017275 -0.512413 -0.269610 6C 2px -0.124832 0.633682 -0.716661 -0.377268 -0.729808 -0.157081 6C 2py 0.652859 -0.931247 0.588593 -0.235456 0.790615 0.518122 6C 3pz -0.087307 0.058139 -0.353407 -0.360414 -0.547178 -0.778784 6C 3px -0.078246 -1.151572 0.983480 0.267767 0.268449 0.377079 6C 3py 0.651122 0.288968 0.052476 0.061812 0.781076 1.010575 6C 1dz2 0.170613 -0.037938 0.122611 0.166129 0.214421 0.136194 6C 1dxz 0.201848 0.190120 -0.150561 0.087603 0.134240 -0.170200 6C 1dyz -0.050568 0.012730 0.028524 -0.055728 0.032971 0.019689 6C 1dx2y2 0.001665 0.040716 -0.112745 -0.019817 -0.080126 -0.107970 6C 1dxy -0.001783 -0.224626 0.170453 0.178263 0.221843 0.008713 6C 2dz2 -0.467660 -0.068328 -0.231076 -0.507757 -0.609674 -0.235522 6C 2dxz -0.399032 -0.088944 0.089117 -0.244259 -0.456607 -0.021063 6C 2dyz -0.109204 -0.345993 0.142605 0.198787 -0.107240 -0.011751 6C 2dx2y2 0.301724 -0.447094 0.650281 0.228880 0.598000 0.528838 6C 2dxy 0.232647 0.434354 -0.404946 -0.521027 -0.446033 0.084934 6C 1f0 0.004814 0.036400 -0.038473 -0.054241 0.025547 0.048976 6C 1f+1 0.107345 -0.029542 0.097462 -0.010321 0.087129 0.113534 6C 1f-1 -0.023741 0.075978 -0.016412 0.021491 -0.040538 0.017599 6C 1f+2 0.064993 0.127183 -0.016346 -0.005544 -0.080078 0.090660 6C 1f-2 -0.112127 -0.150280 0.038678 0.007911 -0.054853 -0.023769 6C 1f+3 0.090282 0.023659 0.119316 0.149545 0.093295 0.080272 6C 1f-3 -0.083869 -0.007162 -0.002641 -0.168828 -0.194132 0.012932 7C 1s -0.001601 0.003057 -0.002098 0.005442 0.006311 0.001721 7C 2s -0.010920 0.007748 -0.006634 0.016983 0.020909 0.004563 7C 3s 0.891009 0.125375 -0.099538 -0.120717 0.042869 -0.129182 7C 4s -3.801262 -0.633307 0.815253 0.200485 -0.768563 0.577373 7C 5s -0.985921 -0.499729 0.361223 -0.430380 -0.534234 -0.259568 7C 1pz 0.125284 0.064392 -0.011583 0.058685 -0.000720 0.055831 7C 1px 0.064389 0.016131 0.047502 0.020011 -0.080305 0.023580 7C 1py 0.085188 0.042561 0.006135 0.009008 -0.052028 0.063722 7C 2pz -0.605589 -0.320205 0.135227 0.063388 0.125739 -0.033541 7C 2px -0.166955 0.163823 -0.200414 0.008251 0.581516 -0.015035 7C 2py -0.402971 -0.095126 0.019363 0.239950 0.328719 -0.168099 7C 3pz 0.716739 0.116128 -0.870194 0.262879 0.563000 -0.169730 7C 3px 0.666327 0.345610 0.363419 -0.158571 -0.869443 0.378290 7C 3py 1.007772 0.306284 -0.291592 0.201021 0.385629 -0.171241 7C 1dz2 -0.075111 -0.017385 -0.011977 0.009751 -0.078265 -0.042768 7C 1dxz -0.235535 -0.093302 -0.054423 0.087887 0.126604 -0.129928 7C 1dyz -0.020540 -0.039317 -0.066565 -0.065895 0.133889 -0.112240 7C 1dx2y2 0.086773 0.016982 -0.002084 0.127643 -0.003909 -0.084051 7C 1dxy 0.095472 0.086726 -0.115337 0.015888 0.235877 0.041945 7C 2dz2 -0.181407 -0.023864 -0.093953 -0.023894 0.438384 0.067059 7C 2dxz 0.431997 0.021638 0.157413 -0.155868 -0.438153 0.189303 7C 2dyz -0.483228 -0.027780 0.160666 0.164500 -0.280572 0.131693 7C 2dx2y2 -0.380025 -0.078379 0.052307 -0.424212 -0.312315 0.224533 7C 2dxy -0.240600 -0.307370 0.348993 0.058856 -0.529745 0.011065 7C 1f0 -0.059027 0.035394 -0.053604 -0.078844 -0.078195 0.040279 7C 1f+1 -0.258927 -0.144749 0.061145 -0.112793 -0.085299 0.020297 7C 1f-1 0.017453 -0.033284 0.019148 -0.018566 -0.118582 0.006398 7C 1f+2 0.070222 0.014580 0.018952 -0.003444 -0.006120 0.028721 7C 1f-2 -0.050433 0.020159 0.042962 -0.004040 -0.012007 -0.050947 7C 1f+3 -0.017718 0.045360 0.070088 -0.086794 -0.042494 -0.040095 7C 1f-3 -0.109823 -0.031194 0.081539 0.007897 -0.097379 -0.006237 8C 1s 0.006853 0.013859 -0.009700 0.003461 -0.001294 -0.011229 8C 2s 0.020102 0.035079 -0.024682 0.011226 -0.000684 -0.032260 8C 3s -0.009759 0.361029 -0.156181 0.002271 -0.118121 0.022003 8C 4s -0.246809 -2.571654 1.389851 -0.256702 0.619386 0.860498 8C 5s 0.264287 0.853233 -0.287632 -0.131195 0.143468 1.016248 8C 1pz -0.000378 -0.108652 0.051463 -0.051154 0.022093 -0.000253 8C 1px 0.018555 0.022078 0.003596 -0.012816 -0.009715 0.004942 8C 1py 0.009313 0.142386 -0.074020 -0.042276 -0.083564 0.006987 8C 2pz -0.250419 0.716794 -0.323998 0.516353 -0.169371 -0.172675 8C 2px -0.263020 -0.339086 0.019372 0.204294 0.354367 -0.124144 8C 2py 0.161017 -0.630412 0.195586 0.214687 0.305996 -0.034835 8C 3pz -0.064300 0.059857 0.039678 0.302387 -0.012846 -0.108391 8C 3px -0.105303 -0.143162 -0.120089 0.117820 0.181502 -0.489453 8C 3py -0.101463 0.034865 -0.079348 0.073424 0.059614 0.199361 8C 1dz2 0.102670 0.148049 -0.057412 0.433587 0.177180 0.027200 8C 1dxz 0.116282 0.223460 -0.056212 0.036345 -0.081071 0.117143 8C 1dyz -0.022534 0.000823 -0.004510 -0.064150 -0.024898 0.035517 8C 1dx2y2 -0.082328 -0.206351 -0.025472 -0.007189 0.141038 -0.255937 8C 1dxy 0.133499 0.167199 0.075421 -0.148029 -0.190206 0.395118 8C 2dz2 0.059624 -0.134744 0.070944 -0.585573 -0.153222 0.061667 8C 2dxz -0.202639 -0.696759 0.309853 0.162548 0.424364 -0.104396 8C 2dyz 0.001017 -0.110281 0.162164 0.205305 0.254245 0.009945 8C 2dx2y2 -0.134992 0.371247 -0.042228 0.076729 -0.261313 0.151707 8C 2dxy -0.292485 -0.180377 -0.092220 0.240492 0.203136 -0.360951 8C 1f0 0.006001 0.064351 -0.069921 -0.061193 -0.078448 -0.035786 8C 1f+1 0.006753 -0.054477 0.021637 0.020129 0.026191 -0.048049 8C 1f-1 -0.104779 0.091618 -0.064303 -0.119957 -0.161537 -0.062507 8C 1f+2 -0.040078 0.056660 -0.077857 -0.072865 -0.106144 -0.088456 8C 1f-2 -0.038841 -0.148446 0.140047 0.001573 0.034840 0.145313 8C 1f+3 -0.055635 0.040717 -0.038447 -0.050312 -0.071036 -0.075181 8C 1f-3 0.104908 0.146433 -0.119899 -0.019881 -0.028357 -0.050614 9C 1s -0.017773 -0.008783 -0.005318 -0.008836 0.003955 -0.014060 9C 2s -0.046656 -0.024230 -0.014423 -0.025972 0.008096 -0.039571 9C 3s -0.448157 -0.094688 0.041058 0.085693 0.105743 0.047914 9C 4s 3.208220 0.992528 0.021000 0.147623 -0.562535 0.645273 9C 5s -1.265803 -0.179489 0.800815 -0.359329 -0.411971 0.172228 9C 1pz 0.142716 0.030791 0.005963 -0.048294 -0.081994 0.025527 9C 1px -0.010115 -0.031157 0.015416 -0.020036 -0.012196 -0.008341 9C 1py 0.124623 0.048035 0.023177 0.022167 -0.031408 -0.026788 9C 2pz -0.724914 -0.141592 0.388919 0.581947 0.055333 0.145172 9C 2px 0.207448 0.239383 -0.122113 0.235244 -0.126571 0.209994 9C 2py -0.697707 -0.160725 0.046208 -0.204618 -0.162374 0.417825 9C 3pz 0.083140 0.002077 -0.031013 0.065359 0.071799 -0.243641 9C 3px 0.183157 0.028656 -0.198534 0.142578 0.115528 -0.033206 9C 3py -0.057773 -0.094281 -0.187318 -0.148662 -0.039347 0.107487 9C 1dz2 -0.143764 0.028852 0.117384 0.102888 -0.034683 -0.213474 9C 1dxz 0.034625 -0.035806 -0.083106 0.034623 0.020920 0.046138 9C 1dyz 0.027802 -0.048773 -0.087608 -0.110810 -0.004390 0.091667 9C 1dx2y2 0.284019 0.104077 -0.110521 0.255129 -0.018825 0.033841 9C 1dxy 0.224693 0.127833 -0.054923 0.300566 0.041445 -0.091707 9C 2dz2 0.190928 0.016887 -0.261573 -0.269149 0.073418 0.156321 9C 2dxz 0.168882 0.049044 0.093287 0.025171 -0.110116 -0.066310 9C 2dyz 0.111088 0.027739 -0.039713 0.054033 0.302479 -0.360409 9C 2dx2y2 -0.417669 -0.167070 0.173264 -0.155898 0.206415 -0.089542 9C 2dxy -0.261762 -0.195758 -0.010834 -0.442867 -0.177286 0.137267 9C 1f0 -0.021099 0.009881 0.015659 0.029020 -0.134793 -0.019731 9C 1f+1 -0.012536 0.025799 -0.028864 0.079596 0.039710 -0.041925 9C 1f-1 -0.003167 0.025385 0.078387 -0.023476 -0.169321 0.054882 9C 1f+2 -0.014102 0.037524 -0.000947 0.058777 -0.043889 -0.013010 9C 1f-2 -0.131728 -0.071504 -0.047144 0.059250 0.136299 -0.060788 9C 1f+3 0.048701 -0.018682 0.027667 0.029455 0.006519 0.052976 9C 1f-3 0.104759 0.017398 0.028331 0.019752 -0.025217 0.030781 10H 1s -0.090352 0.057560 -0.006813 -0.006799 0.087318 0.065821 10H 2s 0.383542 -0.127884 0.303168 -0.136415 0.011261 -0.226514 10H 3s -0.255217 0.068278 0.110915 0.116168 -0.022568 0.104981 10H 1pz 0.126931 -0.028580 0.081169 -0.079511 0.046039 -0.011688 10H 1px -0.248261 0.120497 -0.084374 0.078653 0.073014 0.168138 10H 1py -0.007395 0.039868 0.023604 0.005728 -0.017763 -0.031030 11H 1s 0.007979 -0.017564 0.003528 -0.017946 0.057312 0.039390 11H 2s 0.924679 -0.445837 0.225368 -0.522113 -0.445248 -0.392474 11H 3s -0.207088 0.052444 0.067897 0.064391 0.017979 0.149756 11H 1pz 0.331735 -0.139600 0.099813 -0.132042 -0.124070 -0.122272 11H 1px 0.243007 -0.096119 0.038578 -0.099708 -0.138147 -0.167957 11H 1py -0.074295 0.041237 -0.027671 0.074764 0.023579 0.082596 12H 1s -0.095929 0.040777 -0.030644 0.052195 -0.039555 -0.012455 12H 2s 0.623098 -0.328830 0.053709 0.167581 -0.604008 -0.685803 12H 3s -0.206688 0.084489 -0.010721 0.099988 0.007567 -0.024198 12H 1pz -0.046513 -0.014083 -0.022423 0.114938 -0.132999 -0.015578 12H 1px 0.182549 -0.108695 0.026045 -0.024330 -0.142112 -0.120117 12H 1py 0.270409 -0.154869 0.041310 0.038305 -0.224690 -0.250456 13H 1s 0.041664 -0.195424 -0.108169 0.046321 -0.084753 0.058179 13H 2s -0.041570 -0.147988 0.056160 0.173067 -0.382883 -0.347810 13H 3s 0.074918 -0.229680 -0.023449 0.007268 -0.070923 -0.109937 13H 1pz -0.094045 0.080088 0.076848 0.007502 -0.065298 -0.056053 13H 1px 0.024139 -0.140143 -0.096779 -0.064060 -0.000483 0.124370 13H 1py -0.034486 0.151955 0.054757 -0.089670 0.137587 -0.005261 14H 1s -0.060308 0.050535 0.021224 -0.074770 0.020698 -0.001054 14H 2s -0.509596 0.982051 0.513039 -0.492846 0.437080 -0.134734 14H 3s 0.056522 -0.137802 -0.101706 -0.100517 0.067882 0.118647 14H 1pz -0.119598 0.159064 0.086009 -0.082966 0.049970 -0.075462 14H 1px -0.152420 0.397965 0.223098 -0.096773 0.150279 -0.102625 14H 1py 0.079545 -0.186268 -0.112915 0.136445 -0.111198 -0.003042 15H 1s 0.076761 -0.039704 -0.027883 0.022749 0.001762 0.010233 15H 2s -0.040787 0.888904 0.601292 0.307664 0.304432 -0.428317 15H 3s 0.090638 -0.168698 -0.062842 0.043320 0.026682 0.019713 15H 1pz 0.078129 -0.125285 -0.088598 -0.034664 0.001161 0.104924 15H 1px -0.033876 0.192360 0.094249 -0.039772 0.106469 -0.000640 15H 1py -0.040068 -0.346772 -0.234153 -0.074669 -0.152038 0.182166 16H 1s 0.020678 -0.029219 -0.004584 0.002692 -0.017926 -0.010839 16H 2s -0.074597 0.200443 0.906124 0.186642 0.006590 0.482607 16H 3s 0.034711 -0.006258 -0.053644 -0.010041 -0.020311 -0.045641 16H 1pz -0.018054 0.060022 0.381350 0.085419 0.005019 0.203270 16H 1px 0.021330 -0.006383 0.007764 0.003542 -0.041051 0.014240 16H 1py -0.012978 0.018472 0.063086 0.016858 0.028013 0.031140 17H 1s 0.009737 -0.016164 0.009427 0.027973 0.014695 0.025061 17H 2s 0.091944 0.165532 0.699040 0.006671 -0.398199 0.320255 17H 3s -0.011666 -0.045659 -0.028368 0.026396 0.036607 0.015452 17H 1pz -0.036248 -0.047694 -0.240274 -0.027293 0.100892 -0.116453 17H 1px -0.031327 -0.022873 -0.169891 -0.001397 0.113467 -0.070408 17H 1py 0.032908 0.014816 0.075268 -0.003474 -0.070392 0.042584 18H 1s -0.010465 -0.016260 -0.008613 0.029134 -0.008730 0.023839 18H 2s -0.242868 0.167855 -0.698917 -0.042978 0.400567 0.326876 18H 3s 0.026446 -0.046112 0.032105 0.032277 -0.030789 0.017127 18H 1pz -0.091357 0.049779 -0.242757 0.013654 0.108738 0.118622 18H 1px -0.063792 0.023082 -0.169330 -0.012975 0.113602 0.072347 18H 1py 0.050323 -0.013209 0.068505 0.012603 -0.066624 -0.039565 19H 1s -0.027133 -0.028476 0.004394 -0.001094 0.018936 -0.012998 19H 2s -0.043499 0.199112 -0.899114 0.195428 0.037107 0.501978 19H 3s -0.042832 -0.007494 0.050277 -0.011720 0.018055 -0.043134 19H 1pz 0.036289 -0.059004 0.376710 -0.088547 -0.015238 -0.209663 19H 1px 0.030296 0.004852 0.004446 0.004376 -0.041347 -0.009768 19H 1py -0.006350 -0.020043 0.071457 -0.022896 0.022501 -0.037729 20H 1s -0.078712 -0.041642 0.027451 0.022029 0.002530 0.007174 20H 2s 0.068508 0.909545 -0.605994 0.359281 -0.294621 -0.407831 20H 3s -0.104992 -0.174038 0.063624 0.045606 -0.013143 0.020393 20H 1pz 0.107038 0.129310 -0.088836 0.037220 -0.000687 -0.103212 20H 1px -0.030173 -0.196195 0.095187 0.021663 0.116329 -0.005353 20H 1py -0.034155 0.353446 -0.237049 0.099581 -0.154282 -0.174440 21H 1s 0.054379 0.047490 -0.019126 -0.069290 -0.030654 0.004292 21H 2s 0.516047 0.993381 -0.515650 -0.406915 -0.534037 -0.097454 21H 3s -0.060793 -0.143386 0.103608 -0.093005 -0.077973 0.121091 21H 1pz -0.124080 -0.165367 0.089915 0.071992 0.069347 0.070232 21H 1px -0.156276 -0.403032 0.224339 0.066865 0.176001 0.090098 21H 1py 0.046021 0.182939 -0.112176 -0.114778 -0.132258 0.015901 22H 1s -0.031809 -0.195524 0.108045 0.030246 0.096342 0.050959 22H 2s 0.157457 -0.124763 -0.067311 0.116644 0.388786 -0.374463 22H 3s -0.082306 -0.237376 0.020996 -0.004132 0.075435 -0.111661 22H 1pz -0.125776 -0.086978 0.076472 0.000538 -0.060011 0.057422 22H 1px 0.045625 0.147225 -0.098763 0.066619 0.000028 -0.124159 22H 1py -0.005981 -0.144313 0.051027 0.066177 0.150005 -0.006652 23H 1s 0.089127 0.044031 0.030357 0.045591 0.043497 -0.012987 23H 2s -0.757717 -0.319980 -0.068663 0.077576 0.597499 -0.690694 23H 3s 0.223047 0.085044 0.007105 0.103367 0.008646 -0.021512 23H 1pz -0.011050 0.009967 -0.022655 -0.096092 -0.144451 0.015543 23H 1px 0.218957 0.106434 0.029514 0.044563 -0.129800 0.116092 23H 1py 0.315694 0.152343 0.046809 -0.004690 -0.222651 0.255220 24H 1s 0.000161 -0.020645 -0.003385 -0.009448 -0.057185 0.041492 24H 2s -1.053167 -0.450504 -0.244659 -0.580535 0.353301 -0.386027 24H 3s 0.224757 0.052377 -0.063562 0.068603 -0.001745 0.157024 24H 1pz 0.380778 0.141086 0.104418 0.146587 -0.099613 0.116434 24H 1px 0.290917 0.098297 0.046527 0.120854 -0.118051 0.168453 24H 1py -0.047168 -0.037723 -0.027869 -0.077407 0.007783 -0.083173 25H 1s 0.123073 0.057513 0.009783 0.004770 -0.084322 0.063691 25H 2s -0.325558 -0.126574 -0.308797 -0.138359 -0.027569 -0.234747 25H 3s 0.306732 0.073374 -0.104303 0.115829 0.040402 0.104349 25H 1pz 0.109414 0.032182 0.083393 0.075194 0.052378 0.016620 25H 1px -0.260517 -0.119332 -0.088991 -0.088586 0.058402 -0.167665 25H 1py -0.011950 -0.043842 0.023243 -0.002770 -0.015581 0.031208 26O 1s 0.001939 0.001604 0.018359 0.002984 -0.012048 -0.002867 26O 2s 0.008989 0.004986 0.064179 0.009177 -0.042014 -0.010211 26O 3s -0.030432 -0.056633 -0.504752 -0.091680 0.383926 0.086523 26O 4s -0.043800 0.196151 1.111891 0.373806 -1.265733 -0.240699 26O 5s -1.840130 0.520958 -0.401765 0.113054 0.196134 -0.025663 26O 1pz 0.114469 -0.071315 0.018502 0.020772 -0.024696 -0.038277 26O 1px -0.106560 0.055399 -0.042625 0.058425 -0.062186 0.012497 26O 1py -0.072849 -0.000607 -0.038928 0.109290 -0.151828 -0.024354 26O 2pz -0.139872 0.096355 -0.039436 -0.013236 0.080025 0.077974 26O 2px 0.435792 -0.222090 -0.083516 -0.212304 0.503013 0.073717 26O 2py 0.248547 -0.017809 0.014047 -0.313991 0.444311 0.099727 26O 3pz 0.358451 -0.359337 0.003550 0.017520 -0.351233 -0.365606 26O 3px 0.559960 -0.267302 -0.420685 -0.002304 0.179741 -0.111197 26O 3py 0.178226 -0.092680 -0.146836 -0.011722 -0.416777 -0.220850 26O 1dz2 0.006174 -0.001548 -0.002453 -0.005393 0.004319 -0.007046 26O 1dxz -0.002878 -0.000386 -0.007680 -0.001290 0.006083 0.000064 26O 1dyz -0.009024 -0.000115 -0.000109 0.002583 -0.001856 0.003375 26O 1dx2y2 -0.007132 0.002264 0.005386 0.004600 -0.003624 0.004265 26O 1dxy -0.009420 0.004818 -0.002597 0.005025 0.000076 -0.005002 26O 2dz2 0.055389 -0.038759 0.021632 -0.039283 0.043633 -0.038650 26O 2dxz -0.016508 0.019500 0.012924 -0.036558 0.089334 0.013423 26O 2dyz -0.097188 -0.001855 0.035442 -0.015685 0.024290 0.000577 26O 2dx2y2 -0.046653 0.065865 0.001305 -0.057418 -0.000255 -0.000070 26O 2dxy -0.117507 0.006352 -0.007654 0.074154 0.035529 0.009756 26O 1f0 -0.021577 0.004605 -0.004613 -0.001069 0.004254 0.012348 26O 1f+1 -0.004102 -0.001437 0.010502 0.001872 -0.004251 -0.003510 26O 1f-1 -0.000585 -0.001302 0.008993 0.008221 -0.001239 -0.003557 26O 1f+2 0.028973 -0.011003 0.004003 0.000946 -0.009055 -0.013008 26O 1f-2 0.011490 -0.005777 0.005118 0.007552 -0.004550 -0.007894 26O 1f+3 -0.008659 0.004384 0.015949 -0.002637 -0.031542 0.011416 26O 1f-3 -0.012171 0.004122 0.004710 0.010422 -0.014688 -0.012722 27O 1s 0.003676 0.001395 0.027674 -0.011881 0.001693 0.001885 27O 2s 0.012786 0.006751 0.097186 -0.040847 0.005456 0.008789 27O 3s -0.146133 -0.103819 -0.783896 0.369671 -0.116094 -0.042033 27O 4s 0.477447 0.660086 1.964245 -1.158320 0.752498 -0.175793 27O 5s 1.027286 -0.641855 -1.070008 -0.259804 0.955169 -0.753983 27O 1pz -0.133101 0.148220 0.072353 -0.055964 0.020063 -0.121383 27O 1px 0.024571 0.107165 -0.007267 -0.128076 0.191115 -0.101872 27O 1py -0.001516 -0.059886 -0.005387 -0.004244 -0.019638 0.136231 27O 2pz 0.216325 -0.223625 -0.091944 0.123050 -0.053990 0.213302 27O 2px -0.320177 -0.436763 -0.351991 0.655922 -0.818148 0.425074 27O 2py 0.084527 0.143414 0.088459 -0.033713 0.141328 -0.356235 27O 3pz -0.233319 0.538543 0.341871 -0.114696 0.178455 -0.386693 27O 3px -0.534861 0.840493 -0.030429 -0.165347 -0.260211 -0.112531 27O 3py 0.122816 -0.828354 -0.185299 0.193955 -0.335554 0.404465 27O 1dz2 -0.008369 0.001702 0.003057 0.007265 -0.008101 0.005257 27O 1dxz -0.003051 0.003248 -0.003100 -0.004451 0.002318 0.002420 27O 1dyz -0.001173 0.001528 -0.000181 -0.000480 -0.001744 0.009363 27O 1dx2y2 0.003340 0.002893 0.004545 -0.006643 0.006204 -0.004694 27O 1dxy -0.001255 0.004126 0.006418 0.000100 -0.000031 0.009141 27O 2dz2 -0.109902 0.082045 0.072871 0.008807 -0.035736 0.028597 27O 2dxz -0.031650 -0.028213 -0.015835 -0.043536 -0.072156 -0.043739 27O 2dyz -0.017066 0.010967 0.000710 -0.014608 0.016733 0.063046 27O 2dx2y2 0.034655 -0.028879 -0.042364 -0.054578 0.096568 0.024340 27O 2dxy -0.047273 0.109689 0.044294 -0.061656 0.129686 0.089546 27O 1f0 0.017791 -0.017276 -0.024215 -0.003105 0.009525 0.016301 27O 1f+1 0.009614 0.008705 0.013559 -0.022364 0.018854 -0.004650 27O 1f-1 -0.006140 0.004326 -0.000364 -0.001423 -0.002113 0.002432 27O 1f+2 -0.020670 0.020687 0.014349 0.007367 -0.003059 -0.014917 27O 1f-2 0.005212 0.004259 -0.000249 -0.008471 0.017600 0.017308 27O 1f+3 0.018032 0.007348 0.016124 -0.020475 0.016546 -0.005700 27O 1f-3 -0.012727 0.012276 0.001642 -0.011578 -0.001614 0.014065 28O 1s -0.015916 0.007796 -0.020376 0.003009 0.009342 0.004627 28O 2s -0.054321 0.026349 -0.071352 0.011637 0.031940 0.016267 28O 3s 0.443052 -0.201157 0.531834 -0.106298 -0.236113 -0.121307 28O 4s -1.073920 0.421656 -1.073200 0.196856 0.692583 0.294021 28O 5s -0.262060 -0.299583 1.231162 0.213035 -1.228617 -0.719938 28O 1pz -0.070153 0.066585 0.070170 -0.060712 0.115152 0.078870 28O 1px 0.042381 0.011990 -0.061163 -0.021822 0.053320 0.009564 28O 1py 0.010826 0.036926 0.008975 -0.114507 0.144365 0.015238 28O 2pz 0.329690 -0.120744 -0.113347 0.091276 -0.206207 -0.109778 28O 2px -0.304628 0.031348 0.090065 0.071917 -0.050073 -0.049732 28O 2py 0.043299 -0.116967 -0.021318 0.203546 -0.259562 -0.006764 28O 3pz 0.146891 0.266146 -0.065761 -0.470517 0.628213 0.286880 28O 3px -0.370599 -0.045952 0.055310 0.009171 0.026538 -0.054658 28O 3py -0.038031 -0.032786 -0.078072 -0.220879 0.228670 -0.046848 28O 1dz2 -0.001115 -0.000763 0.005435 -0.000746 -0.001675 -0.001748 28O 1dxz 0.005033 -0.005999 -0.001059 0.001330 -0.001378 0.001692 28O 1dyz -0.000830 -0.001698 0.005761 -0.004885 -0.004229 -0.004639 28O 1dx2y2 -0.002941 -0.001046 -0.001484 -0.000591 0.003048 0.006239 28O 1dxy 0.001628 0.000118 -0.004193 -0.001051 -0.002921 -0.007358 28O 2dz2 0.098087 -0.071162 -0.014124 -0.019341 -0.082886 -0.055964 28O 2dxz 0.009368 0.038269 -0.068386 -0.053656 0.128456 0.040994 28O 2dyz 0.053677 0.002755 0.000586 -0.067329 -0.032815 -0.067337 28O 2dx2y2 -0.082677 0.019545 0.060602 0.053146 -0.029572 0.003540 28O 2dxy -0.045750 -0.032584 0.000089 0.004385 -0.050360 -0.001206 28O 1f0 -0.001761 0.006375 0.001332 -0.008257 0.002345 -0.001647 28O 1f+1 -0.010688 0.004439 -0.003137 0.000515 -0.006564 -0.008103 28O 1f-1 0.013800 -0.001513 -0.010247 -0.005196 0.009443 -0.002387 28O 1f+2 0.005697 0.000106 0.006730 -0.000492 -0.005983 0.005287 28O 1f-2 -0.016623 0.008401 0.000351 0.010217 -0.010608 0.009768 28O 1f+3 0.000244 0.006136 -0.000370 0.001657 -0.003580 0.000070 28O 1f-3 -0.012275 0.006290 0.004413 0.006408 -0.005279 0.006879 29O 1s 0.002066 0.006060 0.036405 0.006428 -0.009736 0.021432 29O 2s 0.006819 0.020053 0.121469 0.021334 -0.032709 0.071443 29O 3s -0.042512 -0.116814 -0.745232 -0.132048 0.207588 -0.442920 29O 4s 0.073105 0.135040 1.157640 0.199884 -0.334422 0.646031 29O 5s -0.133080 -0.306029 -2.531343 -0.359472 0.666225 -1.178974 29O 1pz 0.003833 -0.007953 -0.072852 -0.014768 0.011128 -0.059387 29O 1px 0.020557 0.045890 0.155272 0.049858 -0.056150 0.147404 29O 1py 0.003026 0.003749 -0.116210 -0.020916 0.024445 -0.044128 29O 2pz -0.054283 0.042417 0.297550 0.087720 0.075460 0.205070 29O 2px -0.068193 -0.114433 -0.494046 -0.105520 0.197517 -0.360873 29O 2py 0.015673 0.036369 0.462571 0.073287 -0.109808 0.208772 29O 3pz -0.033689 -0.008064 -0.082494 0.026480 0.124703 -0.052295 29O 3px 0.032470 0.028191 0.570944 0.117979 -0.107744 0.293614 29O 3py -0.015916 0.173282 0.379453 0.004371 -0.151427 0.168301 29O 1dz2 -0.001042 -0.000053 0.008093 0.002560 0.003295 0.003342 29O 1dxz 0.001826 0.000655 0.006013 0.000535 -0.003678 0.003658 29O 1dyz -0.003910 0.001280 0.002856 0.000515 0.004898 0.001367 29O 1dx2y2 -0.000527 -0.000346 -0.008927 -0.001361 0.000965 -0.004113 29O 1dxy 0.000397 -0.002260 -0.002100 0.001031 0.004462 0.000498 29O 2dz2 0.006606 -0.018349 -0.077051 -0.017924 -0.004111 -0.045428 29O 2dxz -0.010022 -0.008240 -0.024294 0.002747 0.026751 -0.019262 29O 2dyz 0.010372 -0.000884 -0.077739 -0.037906 -0.045632 -0.047463 29O 2dx2y2 -0.008773 0.010991 -0.004626 0.001116 0.003090 0.003923 29O 2dxy 0.034050 0.005693 0.148902 0.032481 -0.054944 0.093637 29O 1f0 -0.000122 0.005133 0.013593 0.000453 -0.005090 0.007150 29O 1f+1 0.000553 -0.002713 -0.007945 -0.000970 0.001131 -0.003821 29O 1f-1 -0.002120 0.007665 0.012282 0.000899 0.000561 0.006537 29O 1f+2 0.000831 0.000475 -0.003882 -0.001530 -0.001400 -0.002703 29O 1f-2 -0.000173 0.002456 0.008087 -0.002896 -0.005736 0.000632 29O 1f+3 -0.000343 0.001100 0.006603 0.001150 -0.000802 0.002495 29O 1f-3 0.000012 0.000016 -0.003231 0.001310 0.001604 -0.000721 30O 1s 0.000674 -0.013238 -0.024202 -0.008148 -0.005541 -0.005963 30O 2s 0.001998 -0.043751 -0.083487 -0.028837 -0.018535 -0.023107 30O 3s -0.065917 0.336512 0.618317 0.225763 0.083638 0.209717 30O 4s 0.413640 -0.906293 -1.338701 -0.302879 -0.047945 -0.434553 30O 5s 1.140413 0.455864 1.598204 -0.204694 1.608444 -0.963586 30O 1pz 0.113927 -0.219888 -0.087627 0.111647 -0.064635 0.152199 30O 1px -0.083160 -0.038368 -0.118129 0.002395 -0.164871 0.047545 30O 1py 0.000402 0.140020 0.032174 -0.085161 0.093178 -0.176283 30O 2pz -0.403870 0.497753 0.171840 -0.156881 0.002138 -0.164949 30O 2px 0.357636 -0.088046 0.149424 -0.003713 0.433203 -0.221482 30O 2py 0.184153 -0.309986 -0.061068 0.135139 -0.007749 0.207268 30O 3pz -0.174955 -0.631587 -0.201014 0.386673 -0.490232 0.419902 30O 3px 0.310162 0.036922 -0.162147 0.037928 0.229790 -0.095165 30O 3py 0.062067 0.851767 0.426505 -0.693670 0.660831 -0.513796 30O 1dz2 0.001121 -0.006603 0.001668 0.001795 -0.008149 -0.006118 30O 1dxz -0.004547 0.007989 0.002646 -0.005475 -0.003192 -0.001847 30O 1dyz -0.005612 0.004179 -0.006129 -0.001614 -0.003583 -0.006353 30O 1dx2y2 -0.001799 0.000858 -0.005572 -0.000261 0.004693 0.007539 30O 1dxy 0.003014 -0.008737 -0.000487 -0.001089 0.000573 0.003436 30O 2dz2 0.008779 -0.091123 -0.055248 0.011668 -0.100120 0.040782 30O 2dxz -0.098568 -0.020574 -0.056802 0.051878 -0.092646 0.029177 30O 2dyz 0.001553 -0.090251 -0.086683 0.039351 -0.093975 -0.009988 30O 2dx2y2 0.093235 -0.087422 -0.003108 0.024670 0.019181 -0.027975 30O 2dxy 0.004026 0.113575 0.127886 -0.053471 0.072973 -0.071222 30O 1f0 0.013387 -0.008388 -0.000595 -0.000675 0.003932 -0.005975 30O 1f+1 0.005888 -0.002265 0.009154 -0.005183 0.004604 -0.017587 30O 1f-1 0.003729 0.010130 0.014806 -0.001868 0.004065 -0.019141 30O 1f+2 0.007309 0.010104 0.016363 -0.007064 0.014079 -0.003703 30O 1f-2 -0.012448 0.001262 0.001954 0.011109 -0.018482 0.010331 30O 1f+3 0.006452 -0.003163 0.003448 -0.008962 0.017157 0.003593 30O 1f-3 0.000185 0.006293 0.007952 -0.004528 -0.002356 -0.001382 31O 1s 0.001681 -0.013542 0.023092 -0.009371 0.004418 -0.007168 31O 2s 0.005745 -0.044817 0.079556 -0.032938 0.014470 -0.027261 31O 3s 0.013632 0.346356 -0.588544 0.247671 -0.051797 0.236820 31O 4s -0.342449 -0.931116 1.284749 -0.329113 0.013337 -0.474781 31O 5s -1.103823 0.419979 -1.550661 0.067283 -1.670532 -0.814548 31O 1pz 0.106980 0.217981 -0.092646 -0.098313 -0.086918 -0.147262 31O 1px -0.104138 0.034650 -0.114951 0.024168 -0.164959 -0.031549 31O 1py 0.006442 -0.140101 0.042284 0.070102 0.114486 0.175582 31O 2pz -0.373145 -0.500387 0.179266 0.150008 0.035340 0.163756 31O 2px 0.387024 0.101176 0.145625 -0.064702 0.433050 0.182384 31O 2py 0.170256 0.317449 -0.076954 -0.131618 -0.042847 -0.215874 31O 3pz -0.222815 0.617010 -0.209031 -0.302104 -0.561072 -0.391059 31O 3px 0.295751 -0.024816 -0.174736 -0.072801 0.229152 0.074851 31O 3py 0.172000 -0.835526 0.451245 0.575989 0.786037 0.470487 31O 1dz2 -0.000444 -0.006500 -0.002041 0.000534 0.008271 -0.006670 31O 1dxz 0.005557 0.008037 -0.002851 -0.005882 0.002107 -0.002155 31O 1dyz 0.003954 0.004271 0.005784 -0.002163 0.003203 -0.006685 31O 1dx2y2 0.000764 0.000876 0.005927 0.000372 -0.004508 0.008012 31O 1dxy -0.002827 -0.008888 0.000781 -0.001007 -0.000392 0.003628 31O 2dz2 0.006894 -0.087616 0.053848 -0.005157 0.102781 0.031386 31O 2dxz 0.102711 -0.017825 0.055312 0.036944 0.100736 0.022818 31O 2dyz -0.017498 -0.090576 0.085128 0.023566 0.102313 -0.014455 31O 2dx2y2 -0.104002 -0.090517 0.004218 0.026481 -0.013726 -0.022678 31O 2dxy -0.027648 0.111042 -0.128018 -0.038606 -0.083109 -0.061792 31O 1f0 0.012705 0.008746 -0.000236 0.000187 0.004200 0.005871 31O 1f+1 0.006114 0.002751 0.009450 0.004186 0.005456 0.016847 31O 1f-1 0.003882 -0.009778 0.014934 0.000987 0.004769 0.018283 31O 1f+2 0.009053 -0.009276 0.016362 0.004999 0.015127 0.002939 31O 1f-2 -0.012548 -0.001878 0.001509 -0.008297 -0.020128 -0.009342 31O 1f+3 0.007429 0.003630 0.003681 0.006567 0.018069 -0.004141 31O 1f-3 0.003601 -0.006198 0.008201 0.004737 -0.001635 0.001244 32O 1s -0.010109 0.006247 -0.036077 0.005049 0.011404 0.021392 32O 2s -0.033681 0.020699 -0.120357 0.016668 0.038279 0.071240 32O 3s 0.209453 -0.121363 0.737896 -0.101438 -0.242857 -0.439642 32O 4s -0.313485 0.142838 -1.146634 0.149298 0.389328 0.638383 32O 5s 0.537084 -0.314488 2.518776 -0.274209 -0.758485 -1.192687 32O 1pz -0.015825 0.009056 -0.067945 0.011886 0.014625 0.056224 32O 1px 0.077139 -0.048238 0.153503 -0.040013 -0.068210 -0.143669 32O 1py -0.015087 -0.003265 -0.116499 0.017351 0.028969 0.044294 32O 2pz -0.010075 -0.042318 0.279601 -0.096568 0.056840 -0.200871 32O 2px -0.209238 0.119652 -0.493385 0.076353 0.223189 0.357779 32O 2py 0.091198 -0.037595 0.464176 -0.061361 -0.123442 -0.214169 32O 3pz -0.079116 0.012725 -0.088269 -0.045124 0.121743 0.047635 32O 3px 0.119843 -0.030678 0.564476 -0.100353 -0.137712 -0.289867 32O 3py 0.046208 -0.175994 0.379197 0.011186 -0.152414 -0.175902 32O 1dz2 0.000221 -0.000044 -0.008104 0.003104 -0.002700 0.003589 32O 1dxz -0.003390 0.000743 -0.006001 -0.000024 0.003800 0.003554 32O 1dyz 0.003880 0.001265 -0.002886 0.001302 -0.004740 0.001570 32O 1dx2y2 0.001689 -0.000286 0.008838 -0.001256 -0.001370 -0.004302 32O 1dxy 0.000243 -0.002310 0.002077 0.001614 -0.004159 0.000470 32O 2dz2 0.006113 -0.017640 0.073261 -0.017197 -0.003039 -0.045443 32O 2dxz 0.016228 -0.007616 0.026300 0.005736 -0.028619 -0.021511 32O 2dyz -0.003256 -0.000752 0.079208 -0.045290 0.037325 -0.051035 32O 2dx2y2 0.007403 0.011177 0.004737 0.002566 -0.005718 0.003954 32O 2dxy -0.068270 0.006207 -0.147992 0.025391 0.060838 0.093349 32O 1f0 0.002348 -0.004632 0.012655 0.000147 -0.005278 -0.007017 32O 1f+1 -0.001018 0.002843 -0.008491 0.000793 0.001710 0.004184 32O 1f-1 -0.000692 -0.007820 0.012874 -0.001143 0.000096 -0.007301 32O 1f+2 0.000548 -0.000167 -0.004419 0.001699 -0.000861 0.003056 32O 1f-2 0.001649 -0.002387 0.007426 0.003721 -0.005165 -0.000433 32O 1f+3 0.000237 -0.001150 0.006686 -0.000873 -0.001380 -0.002638 32O 1f-3 -0.000030 -0.000087 -0.002954 -0.001473 0.001293 0.000731 33O 1s 0.017431 0.007785 0.020011 0.003821 -0.008723 0.003792 33O 2s 0.059214 0.026309 0.070113 0.014430 -0.029640 0.013397 33O 3s -0.486842 -0.200790 -0.524462 -0.128493 0.217275 -0.103212 33O 4s 1.233572 0.415913 1.072106 0.284305 -0.656165 0.279146 33O 5s 0.388860 -0.271799 -1.213811 0.079149 1.211809 -0.639076 33O 1pz -0.107778 -0.066043 0.063538 0.042765 0.121529 -0.083769 33O 1px 0.051883 -0.010974 -0.057216 0.018352 0.055226 -0.002943 33O 1py -0.025810 -0.032245 0.009340 0.094823 0.156864 -0.013799 33O 2pz 0.444714 0.121067 -0.098072 -0.054039 -0.219274 0.128156 33O 2px -0.383697 -0.033359 0.077878 -0.077187 -0.054590 0.026941 33O 2py 0.109704 0.108410 -0.022433 -0.167787 -0.283383 0.005510 33O 3pz -0.046044 -0.253757 -0.085264 0.383698 0.675126 -0.274020 33O 3px -0.366816 0.044245 0.058062 -0.021339 0.026381 0.028343 33O 3py -0.193658 0.034114 -0.084305 0.188177 0.255275 0.054090 33O 1dz2 0.001887 -0.000618 -0.005401 -0.001003 0.001427 -0.001688 33O 1dxz -0.007163 -0.005994 0.001055 0.000991 0.001590 0.001535 33O 1dyz 0.001667 -0.001618 -0.005941 -0.005525 0.003497 -0.004612 33O 1dx2y2 0.002861 -0.001240 0.001863 -0.000149 -0.002942 0.006727 33O 1dxy -0.003189 0.000096 0.003906 -0.001462 0.002454 -0.007337 33O 2dz2 -0.112527 -0.069659 0.011672 -0.033758 0.076068 -0.057648 33O 2dxz 0.004620 0.035606 0.068395 -0.037216 -0.132301 0.037556 33O 2dyz -0.054874 0.000656 -0.004703 -0.074170 0.022762 -0.069350 33O 2dx2y2 0.079308 0.020480 -0.058224 0.052158 0.035579 0.010915 33O 2dxy 0.056047 -0.029580 0.001422 -0.001637 0.049108 -0.000413 33O 1f0 -0.002444 -0.006584 0.001368 0.008043 0.003746 0.001183 33O 1f+1 -0.012256 -0.004431 -0.002727 -0.000186 -0.006105 0.007589 33O 1f-1 0.013291 0.002103 -0.010060 0.004168 0.009848 0.002558 33O 1f+2 0.008824 -0.000456 0.006775 0.001309 -0.005961 -0.005042 33O 1f-2 -0.012815 -0.008647 -0.000042 -0.008557 -0.011730 -0.010103 33O 1f+3 0.003205 -0.006306 -0.000197 -0.001292 -0.003597 -0.000359 33O 1f-3 -0.012537 -0.006316 0.003838 -0.005521 -0.006054 -0.007053 34O 1s -0.004378 0.001106 -0.027395 -0.011037 -0.003428 0.002830 34O 2s -0.015319 0.005826 -0.096209 -0.037997 -0.011412 0.011992 34O 3s 0.165784 -0.094295 0.779140 0.337235 0.170621 -0.068434 34O 4s -0.539754 0.626541 -1.973858 -1.014682 -0.929980 -0.106881 34O 5s -0.813033 -0.695450 1.044448 -0.150543 -0.994549 -0.738196 34O 1pz -0.119892 -0.146791 0.073322 0.047815 0.032302 0.115781 34O 1px 0.032970 -0.102012 -0.001276 0.100538 0.210982 0.092969 34O 1py -0.005535 0.060573 -0.011402 0.008341 -0.023799 -0.140454 34O 2pz 0.185351 0.219662 -0.094293 -0.105439 -0.078356 -0.202297 34O 2px -0.324140 0.408731 -0.374865 -0.533005 -0.922266 -0.387021 34O 2py 0.082140 -0.140217 0.101165 0.010553 0.157372 0.358513 34O 3pz -0.240745 -0.538828 0.343839 0.079471 0.216742 0.361273 34O 3px -0.454526 -0.860278 -0.028289 0.192026 -0.211311 0.111293 34O 3py 0.087518 0.828589 -0.194671 -0.135631 -0.393205 -0.386525 34O 1dz2 0.007330 0.002126 -0.002945 0.006146 0.009213 0.005083 34O 1dxz 0.003288 0.003103 0.003286 -0.003974 -0.002919 0.002540 34O 1dyz 0.000591 0.001699 0.000297 -0.000757 0.001903 0.009125 34O 1dx2y2 -0.004580 0.002598 -0.004847 -0.005713 -0.007199 -0.004208 34O 1dxy 0.001010 0.004377 -0.006228 0.000051 0.000188 0.009144 34O 2dz2 0.095283 0.084892 -0.071302 0.005796 0.036578 0.030269 34O 2dxz 0.023445 -0.030596 0.014099 -0.051733 0.065615 -0.045659 34O 2dyz 0.009665 0.013387 -0.001298 -0.012927 -0.016830 0.060364 34O 2dx2y2 -0.036801 -0.031397 0.040629 -0.042239 -0.101412 0.027743 34O 2dxy 0.023330 0.109800 -0.042778 -0.041237 -0.136012 0.097682 34O 1f0 0.017268 0.017612 -0.024447 0.002151 0.009359 -0.015898 34O 1f+1 0.009018 -0.007769 0.013727 0.019215 0.022185 0.003373 34O 1f-1 -0.005758 -0.004522 -0.000337 0.001651 -0.001823 -0.002230 34O 1f+2 -0.021858 -0.021237 0.014336 -0.007228 -0.003412 0.014449 34O 1f-2 0.005802 -0.004420 -0.000198 0.006048 0.018637 -0.017730 34O 1f+3 0.017096 -0.006569 0.016732 0.017873 0.019916 0.005593 34O 1f-3 -0.013565 -0.012970 0.001648 0.011547 0.000246 -0.013483 35O 1s -0.000585 0.001927 -0.018250 0.001404 0.011634 -0.002378 35O 2s -0.004936 0.006080 -0.063825 0.003657 0.040433 -0.008582 35O 3s 0.015459 -0.066436 0.502757 -0.040605 -0.373053 0.075155 35O 4s -0.056940 0.225647 -1.114222 0.201089 1.255616 -0.225123 35O 5s 2.043544 0.524795 0.384750 0.146601 -0.165698 -0.000657 35O 1pz 0.129389 0.071420 0.020796 -0.016611 -0.027004 0.040007 35O 1px -0.077887 -0.054674 -0.040854 -0.049163 -0.070396 -0.012461 35O 1py -0.038749 -0.005228 -0.037546 -0.086174 -0.161265 0.026887 35O 2pz -0.159951 -0.094934 -0.043905 0.002645 0.078434 -0.078743 35O 2px 0.344887 0.230447 -0.091804 0.141755 0.516192 -0.071554 35O 2py 0.183359 0.031690 0.011563 0.249155 0.471071 -0.103679 35O 3pz 0.461932 0.359581 0.018405 0.029373 -0.340863 0.366570 35O 3px 0.673295 0.277965 -0.418084 -0.018003 0.188021 0.124610 35O 3py 0.324482 0.084362 -0.137441 0.071361 -0.393816 0.231546 35O 1dz2 -0.004294 -0.001706 0.002297 -0.004788 -0.005171 -0.007107 35O 1dxz 0.004439 -0.000548 0.007732 -0.000571 -0.006293 0.000116 35O 1dyz 0.010997 0.000034 0.000408 0.002344 0.002227 0.003460 35O 1dx2y2 0.006409 0.002357 -0.005371 0.004146 0.004442 0.004322 35O 1dxy 0.009661 0.004944 0.002297 0.005101 0.000266 -0.004702 35O 2dz2 -0.042885 -0.039754 -0.022420 -0.032295 -0.049983 -0.037125 35O 2dxz 0.045476 0.019627 -0.013432 -0.023197 -0.093211 0.014117 35O 2dyz 0.128878 0.000706 -0.034523 -0.010716 -0.027010 0.001784 35O 2dx2y2 0.039983 0.064634 -0.003434 -0.056263 -0.006689 0.002893 35O 2dxy 0.144177 0.007104 0.009601 0.078430 -0.023210 0.009482 35O 1f0 -0.023612 -0.004966 -0.005293 0.000241 0.004205 -0.012675 35O 1f+1 -0.005481 0.001130 0.010577 -0.001443 -0.004156 0.003130 35O 1f-1 -0.001415 0.001182 0.009050 -0.008318 -0.002311 0.003408 35O 1f+2 0.032042 0.011513 0.004618 0.000551 -0.009019 0.013128 35O 1f-2 0.011730 0.005573 0.005326 -0.006698 -0.005252 0.008481 35O 1f+3 -0.002888 -0.005585 0.015886 0.007482 -0.030702 -0.010935 35O 1f-3 -0.012609 -0.004430 0.005011 -0.008515 -0.015115 0.012499 498 499 500 501 502 503 3.10514 3.11420 3.12632 3.13105 3.13774 3.14062 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s -0.002868 0.001840 -0.000037 0.001701 0.001838 -0.000978 0Rh 2s 0.025618 -0.014146 -0.000336 -0.016400 -0.009640 0.009676 0Rh 3s -0.001482 0.002340 -0.000425 0.000149 0.005057 0.000079 0Rh 4s -0.135968 0.075069 0.001690 0.087030 0.051035 -0.050491 0Rh 5s 0.284986 -0.148231 -0.004892 -0.186008 -0.077584 0.097144 0Rh 6s -0.231021 0.083662 0.007784 0.162163 -0.068759 -0.018936 0Rh 7s -0.008583 0.051295 -0.004007 0.028052 1.029703 -0.644439 0Rh 8s 0.236089 -0.068577 -0.057702 -0.165713 -0.301409 0.047886 0Rh 1pz 0.001320 -0.005117 0.001118 -0.001901 -0.002733 0.002361 0Rh 1px 0.000784 0.000997 0.000974 -0.001378 0.008089 -0.001885 0Rh 1py 0.000133 -0.001732 -0.000426 -0.002374 0.001248 -0.000668 0Rh 2pz -0.005704 0.019891 -0.004180 0.007007 0.009782 -0.008353 0Rh 2px -0.002872 -0.003805 -0.003522 0.005082 -0.029998 0.006637 0Rh 2py -0.000767 0.006833 0.001235 0.009026 -0.004523 0.002530 0Rh 3pz 0.025437 -0.048305 0.006622 -0.009201 -0.006003 0.002851 0Rh 3px 0.003093 0.007331 0.003010 -0.006021 0.041371 -0.001637 0Rh 3py 0.007289 -0.018813 0.005803 -0.017802 0.004584 -0.004724 0Rh 4pz -0.065489 0.052648 0.005459 -0.014645 -0.054243 0.056808 0Rh 4px 0.011636 0.001724 0.015387 -0.020584 0.070186 -0.047772 0Rh 4py -0.027811 0.028940 -0.036407 0.005692 0.014346 0.000088 0Rh 5pz 0.128209 -0.077929 -0.022714 0.015263 0.131466 -0.123221 0Rh 5px -0.045253 -0.024361 -0.033752 0.105391 -0.240538 0.119047 0Rh 5py 0.059939 -0.055307 0.079192 0.004390 -0.035551 0.008143 0Rh 6pz -0.532781 -0.912323 0.254905 0.511878 -0.602044 -0.503107 0Rh 6px 0.642097 -0.077268 -0.002853 -1.903504 0.965348 -0.737572 0Rh 6py -0.182491 -0.190884 -0.229191 -0.301074 -0.337577 -0.532279 0Rh 1dz2 -0.017080 -0.004153 0.000718 -0.007872 0.011533 0.000637 0Rh 1dxz 0.007965 -0.011682 -0.003814 -0.009268 0.002168 0.002796 0Rh 1dyz 0.007122 0.005228 -0.025499 0.000412 0.006881 0.002975 0Rh 1dx2y2 0.014608 -0.009211 -0.000978 0.016121 -0.005758 -0.005508 0Rh 1dxy 0.006030 -0.005610 0.005336 0.013321 -0.016303 -0.005061 0Rh 2dz2 -0.002273 -0.001822 0.001470 -0.001628 0.001288 -0.001574 0Rh 2dxz 0.002052 -0.001058 -0.000490 0.000632 -0.000390 -0.001495 0Rh 2dyz -0.000319 0.000154 -0.002110 -0.001229 -0.000804 -0.000512 0Rh 2dx2y2 0.000207 -0.001103 -0.001053 0.000973 -0.000954 0.002195 0Rh 2dxy 0.000299 -0.000028 0.001746 0.001311 -0.002092 0.000598 0Rh 3dz2 0.064247 0.021222 -0.008897 0.032649 -0.042490 0.004942 0Rh 3dxz -0.034611 0.041843 0.014352 0.027087 -0.005274 -0.002376 0Rh 3dyz -0.021035 -0.017444 0.090563 0.004404 -0.018241 -0.007279 0Rh 3dx2y2 -0.046948 0.034379 0.007847 -0.056156 0.022670 0.007940 0Rh 3dxy -0.020342 0.018012 -0.024838 -0.048445 0.061566 0.013550 0Rh 4dz2 -0.053392 -0.028776 0.020677 -0.039406 0.033617 -0.017264 0Rh 4dxz 0.042414 -0.030783 -0.012971 -0.012307 -0.000472 -0.011175 0Rh 4dyz 0.004938 0.012401 -0.067258 -0.018920 -0.002257 -0.000456 0Rh 4dx2y2 0.018423 -0.030911 -0.016364 0.047126 -0.022174 0.014583 0Rh 4dxy 0.010825 -0.008746 0.031448 0.040733 -0.054582 -0.001795 0Rh 5dz2 -0.057252 0.006458 -0.012218 0.039531 0.048032 -0.035142 0Rh 5dxz -0.061773 -0.029712 0.002827 -0.022365 0.027293 -0.039970 0Rh 5dyz 0.023016 -0.023916 0.015423 0.028650 0.075898 -0.011595 0Rh 5dx2y2 0.132623 0.010102 0.054214 -0.025373 -0.027029 0.065158 0Rh 5dxy 0.027935 -0.035664 -0.002271 -0.009082 -0.029575 0.009844 0Rh 1f0 -0.003834 -0.001861 -0.009232 -0.004057 0.007811 -0.004400 0Rh 1f+1 0.013936 -0.006272 0.015368 0.010286 -0.010402 -0.011373 0Rh 1f-1 0.004482 0.016692 -0.002638 0.028832 0.001330 -0.009774 0Rh 1f+2 -0.003317 -0.022267 -0.008171 0.003300 -0.022786 0.019233 0Rh 1f-2 -0.006398 0.005462 0.014787 0.002778 -0.013087 0.005968 0Rh 1f+3 0.016488 -0.010142 0.002099 0.020025 -0.008518 -0.005467 0Rh 1f-3 0.013109 -0.004222 -0.005200 0.009165 -0.010220 -0.002555 1Rh 1s 0.002892 0.001818 0.000012 -0.001568 0.001857 -0.001064 1Rh 2s -0.025826 -0.013992 0.000501 0.015192 -0.009856 0.010550 1Rh 3s 0.001497 0.002303 0.000377 -0.000093 0.005038 0.000095 1Rh 4s 0.137066 0.074250 -0.002594 -0.080673 0.052184 -0.055125 1Rh 5s -0.287226 -0.146666 0.006972 0.173371 -0.080166 0.107103 1Rh 6s 0.232562 0.082998 -0.011067 -0.156173 -0.066037 -0.027735 1Rh 7s 0.007614 0.052479 0.029506 0.003812 1.030642 -0.640051 1Rh 8s -0.235819 -0.061614 0.055131 0.164311 -0.294602 0.066826 1Rh 1pz 0.001546 0.005043 0.001116 -0.001544 0.002596 -0.002694 1Rh 1px 0.000861 -0.000964 0.000896 -0.001495 -0.008143 0.001944 1Rh 1py 0.000083 0.001764 -0.000433 -0.002350 -0.000988 0.000377 1Rh 2pz -0.006581 -0.019587 -0.004136 0.005675 -0.009318 0.009616 1Rh 2px -0.003165 0.003687 -0.003249 0.005493 0.030188 -0.006844 1Rh 2py -0.000574 -0.006957 0.001270 0.008953 0.003508 -0.001491 1Rh 3pz 0.027562 0.047213 0.005734 -0.007073 0.006326 -0.005235 1Rh 3px 0.003712 -0.007238 0.003007 -0.006145 -0.041517 0.001697 1Rh 3py 0.006880 0.019081 0.005476 -0.018047 -0.002018 0.004123 1Rh 4pz -0.067878 -0.050296 0.009151 -0.013298 0.048998 -0.056488 1Rh 4px 0.011229 -0.001073 0.013210 -0.023497 -0.071028 0.049043 1Rh 4py -0.027664 -0.029069 -0.035017 0.007251 -0.017524 -0.005981 1Rh 5pz 0.131955 0.073870 -0.030290 0.011918 -0.119799 0.123848 1Rh 5px -0.044750 0.022209 -0.028962 0.112861 0.242523 -0.119569 1Rh 5py 0.060574 0.055159 0.076278 0.001677 0.040006 0.006007 1Rh 6pz -0.514375 0.915806 0.221623 0.494650 0.564626 0.504417 1Rh 6px 0.651411 0.097144 -0.023676 -1.936559 -0.976774 0.660608 1Rh 6py -0.208540 0.198411 -0.281780 -0.342501 0.358691 0.462146 1Rh 1dz2 0.016973 -0.004788 0.000163 0.007713 0.013355 0.001042 1Rh 1dxz -0.008072 -0.011691 0.004186 0.008731 0.000480 0.002830 1Rh 1dyz -0.007123 0.006290 0.025891 -0.000589 0.006913 0.003575 1Rh 1dx2y2 -0.014710 -0.008466 0.001710 -0.015905 -0.006094 -0.005467 1Rh 1dxy -0.005982 -0.005195 -0.004849 -0.012779 -0.016289 -0.007606 1Rh 2dz2 0.002235 -0.001906 -0.001274 0.001667 0.001608 -0.001484 1Rh 2dxz -0.002021 -0.001001 0.000608 -0.000558 -0.000716 -0.001632 1Rh 2dyz 0.000350 0.000298 0.002102 0.001277 -0.000786 -0.000269 1Rh 2dx2y2 -0.000212 -0.001057 0.001050 -0.001101 -0.001011 0.002363 1Rh 2dxy -0.000290 0.000019 -0.001737 -0.001332 -0.002147 0.000198 1Rh 3dz2 -0.063739 0.023609 0.005235 -0.032308 -0.049736 0.003231 1Rh 3dxz 0.034809 0.041620 -0.016060 -0.025695 0.001578 -0.001876 1Rh 3dyz 0.020902 -0.021466 -0.091737 -0.004045 -0.018434 -0.010298 1Rh 3dx2y2 0.047292 0.031810 -0.010177 0.056028 0.023999 0.007070 1Rh 3dxy 0.020148 0.016482 0.023253 0.046805 0.061754 0.023473 1Rh 4dz2 0.052755 -0.030751 -0.017116 0.039472 0.040859 -0.015125 1Rh 4dxz -0.042174 -0.030037 0.014922 0.012222 -0.007507 -0.012881 1Rh 4dyz -0.004546 0.015976 0.067042 0.019091 -0.001779 0.003979 1Rh 4dx2y2 -0.018687 -0.029208 0.017681 -0.048143 -0.023532 0.016601 1Rh 4dxy -0.010602 -0.007481 -0.030768 -0.040104 -0.055083 -0.011224 1Rh 5dz2 0.057463 0.004056 0.018173 -0.035549 0.044833 -0.037735 1Rh 5dxz 0.060996 -0.032261 -0.001055 0.023008 0.030374 -0.035046 1Rh 5dyz -0.023426 -0.024576 -0.001549 -0.026609 0.072374 -0.015813 1Rh 5dx2y2 -0.132374 0.013157 -0.055477 0.020979 -0.026156 0.062270 1Rh 5dxy -0.028445 -0.035315 0.006025 0.010056 -0.030720 0.012012 1Rh 1f0 -0.003563 0.001843 -0.009998 -0.004784 -0.007037 0.004439 1Rh 1f+1 0.013789 0.006057 0.015495 0.009458 0.010926 0.010753 1Rh 1f-1 0.003770 -0.017118 -0.003254 0.026829 -0.000602 0.010843 1Rh 1f+2 -0.002088 0.021816 -0.008356 0.005504 0.022347 -0.018135 1Rh 1f-2 -0.006484 -0.005042 0.016290 0.002901 0.014426 -0.005548 1Rh 1f+3 0.016401 0.009163 0.001684 0.020027 0.007601 0.005402 1Rh 1f-3 0.012742 0.003507 -0.006381 0.008670 0.011271 0.003500 2C 1s -0.001690 -0.010508 -0.004991 0.007190 -0.019763 0.011494 2C 2s -0.006624 -0.028895 -0.014029 0.016997 -0.055189 0.034233 2C 3s -0.047452 -0.194986 -0.082741 0.356813 -0.106293 0.032271 2C 4s 0.580041 1.869042 0.840676 -2.385507 1.922800 -0.867720 2C 5s 0.162974 1.077764 0.021473 0.206977 1.278715 -1.396009 2C 1pz 0.016397 -0.049072 0.030249 0.156455 -0.084470 -0.004167 2C 1px 0.023286 0.016750 -0.001001 -0.080357 0.029369 -0.010013 2C 1py 0.007605 -0.065176 -0.080444 0.040377 0.014643 0.050881 2C 2pz 0.420103 0.552899 -0.077719 -1.357769 0.449059 0.125838 2C 2px 0.152515 -0.055514 0.120244 0.611591 -0.445538 0.211799 2C 2py 0.315380 0.739310 0.661841 -0.548972 -0.156515 -0.233090 2C 3pz -0.011471 0.053604 -0.263304 0.003488 0.571366 -0.398651 2C 3px 0.331027 0.482957 0.262195 -0.089935 0.218055 0.032998 2C 3py 0.173118 0.502989 0.451168 -0.045934 0.127869 -0.500078 2C 1dz2 0.226707 0.412059 0.450256 0.066073 -0.262904 -0.058349 2C 1dxz -0.156044 -0.264437 -0.202513 0.076254 0.035481 -0.005200 2C 1dyz -0.138240 -0.307877 -0.310103 -0.003699 0.064121 0.199591 2C 1dx2y2 -0.213788 -0.211229 -0.074755 -0.034933 0.052066 -0.193619 2C 1dxy -0.120862 -0.079217 0.141662 0.104466 -0.132916 -0.221717 2C 2dz2 -0.012779 -0.223944 -0.493027 -0.490923 0.365318 0.107372 2C 2dxz -0.013356 0.281279 0.270891 -0.053496 -0.082604 0.152468 2C 2dyz 0.444245 0.499628 0.488380 -0.154668 -0.242548 -0.294012 2C 2dx2y2 0.254366 0.029200 0.091144 0.488998 -0.260521 0.089629 2C 2dxy 0.054049 -0.078003 -0.301160 -0.006045 0.174231 0.335079 2C 1f0 0.007246 -0.078931 -0.069458 -0.022236 0.045500 -0.004397 2C 1f+1 0.011815 0.136402 0.021612 -0.151670 0.094096 0.082175 2C 1f-1 0.084335 -0.066124 -0.027708 0.024850 -0.055056 -0.042460 2C 1f+2 -0.055602 -0.103485 -0.094306 0.027134 -0.030502 0.078775 2C 1f-2 0.016952 0.162426 0.064325 -0.117536 0.086499 0.053083 2C 1f+3 0.046503 0.066230 0.054614 -0.035851 -0.050363 0.023972 2C 1f-3 0.038591 0.032288 0.001719 -0.018441 -0.018163 -0.035024 3C 1s -0.003101 -0.006715 -0.000276 0.001139 -0.011208 0.012104 3C 2s -0.009104 -0.019569 -0.001558 0.001839 -0.032954 0.034728 3C 3s -0.135132 0.040896 0.064085 0.132518 0.147703 0.164185 3C 4s 1.090007 0.167583 -0.234443 -0.638324 0.028327 -1.629109 3C 5s 0.324853 0.135322 -0.667443 -0.335614 0.871741 -1.802218 3C 1pz -0.038926 0.009075 0.032414 0.036860 0.038647 0.061052 3C 1px -0.000814 0.011946 0.006787 -0.091610 -0.008226 0.013988 3C 1py 0.012729 0.001521 -0.018030 -0.096839 -0.033450 -0.046565 3C 2pz 0.529230 -0.228058 -0.149382 -0.205908 -0.216394 -0.565005 3C 2px 0.297378 -0.182705 -0.094073 0.695453 -0.164887 -0.060198 3C 2py -0.513185 0.101176 0.113526 0.597556 0.551560 0.244611 3C 3pz 0.131422 -0.001146 -0.000754 0.074734 0.191732 -0.451234 3C 3px 0.470542 0.076919 -0.468422 0.048818 -0.305397 -0.374718 3C 3py 0.037176 -0.063440 0.031004 0.167985 -0.465031 0.480505 3C 1dz2 0.010557 0.090247 0.052433 -0.143291 -0.018194 0.187073 3C 1dxz 0.124196 -0.002991 -0.078020 0.104679 -0.115468 0.051249 3C 1dyz 0.006995 0.010780 0.035714 0.019854 0.081830 -0.113608 3C 1dx2y2 -0.225861 0.022994 0.202940 -0.072125 0.261842 -0.011565 3C 1dxy 0.406320 -0.007167 -0.276048 0.099110 -0.318259 -0.152138 3C 2dz2 0.113273 -0.126212 -0.062129 0.209920 0.027038 -0.279935 3C 2dxz -0.176963 0.037213 0.045825 -0.292983 0.110155 -0.032702 3C 2dyz -0.293958 0.034038 0.005561 0.090158 0.178861 0.292170 3C 2dx2y2 -0.041960 0.073614 -0.148428 0.294552 -0.069486 0.083062 3C 2dxy -0.457993 0.113060 0.247759 -0.424544 0.301445 0.136632 3C 1f0 -0.048947 0.002632 -0.011615 0.002313 0.067095 -0.016849 3C 1f+1 0.007045 -0.001556 -0.009293 -0.035354 -0.016395 -0.022655 3C 1f-1 0.062480 0.037769 -0.024502 -0.029176 -0.008463 0.020357 3C 1f+2 0.025318 0.005226 -0.064372 -0.026041 -0.059935 0.031625 3C 1f-2 -0.074937 -0.028363 0.114645 0.038545 0.060073 0.060901 3C 1f+3 0.083713 -0.000478 -0.002357 -0.000866 -0.030281 -0.015587 3C 1f-3 -0.045069 0.015728 -0.073680 -0.013893 -0.044714 0.016775 4C 1s 0.005761 -0.001347 0.000204 0.002943 -0.003175 0.003499 4C 2s 0.016471 -0.006024 -0.000151 0.010935 -0.009978 0.008343 4C 3s 0.375527 0.183665 0.149643 -0.115383 0.099641 -0.254935 4C 4s -2.157949 -0.740023 -0.681374 0.486434 -0.235021 0.704650 4C 5s -1.549466 -0.334665 -0.200487 -0.777878 -0.640362 0.935681 4C 1pz -0.014127 -0.097550 -0.042789 0.142492 -0.096042 0.010635 4C 1px 0.045954 -0.006743 -0.030576 0.048555 -0.033876 -0.013638 4C 1py 0.012388 -0.041640 -0.003369 0.105172 -0.086094 -0.017774 4C 2pz 0.116231 1.114990 0.334455 -1.997952 0.806161 -0.296499 4C 2px -0.618421 -0.093531 0.220667 0.648398 -0.385613 0.434926 4C 2py -0.207767 0.494212 0.047357 -1.003474 0.486458 0.137843 4C 3pz -0.393080 1.173931 0.408670 -0.444232 1.245502 -1.105249 4C 3px -0.232612 -1.038864 -0.498869 1.088960 -0.715203 -0.646981 4C 3py -0.376821 0.143257 -0.443074 0.170574 0.763199 -0.648378 4C 1dz2 -0.008114 0.072489 0.076499 0.004714 -0.053267 0.028936 4C 1dxz 0.052722 0.012502 0.027924 -0.032658 -0.060967 -0.168060 4C 1dyz 0.181399 0.048611 0.025423 -0.011051 -0.085526 0.060183 4C 1dx2y2 0.197458 0.133049 0.149360 0.061888 -0.039924 -0.147218 4C 1dxy 0.079314 -0.207934 -0.111646 0.056070 0.019055 -0.109898 4C 2dz2 0.148385 -0.419554 -0.412962 -0.020110 0.058834 -0.229491 4C 2dxz -0.383777 -0.441630 -0.083391 0.943746 -0.290142 0.549956 4C 2dyz -0.544361 -0.327211 -0.146162 0.272587 -0.032363 -0.127938 4C 2dx2y2 -0.474763 0.048486 -0.277354 -0.517445 0.380997 0.457122 4C 2dxy -0.596463 0.130362 0.243029 0.463306 -0.271614 0.449714 4C 1f0 0.098880 0.084812 0.110249 0.037043 -0.063576 -0.026341 4C 1f+1 0.065371 -0.028443 0.046174 0.028367 -0.017161 -0.091444 4C 1f-1 0.111859 0.087396 0.050001 -0.038190 0.080765 -0.189007 4C 1f+2 -0.113944 -0.031294 -0.032005 -0.069136 -0.010374 -0.017823 4C 1f-2 -0.037768 -0.041842 -0.047456 -0.014069 0.061665 -0.010974 4C 1f+3 -0.034455 -0.015803 -0.073396 -0.085800 0.078948 -0.081367 4C 1f-3 0.095199 -0.097857 -0.085841 0.029306 -0.038449 -0.031566 5C 1s 0.001693 0.003000 -0.001235 0.001834 -0.001248 0.005958 5C 2s 0.004747 0.008592 -0.001737 0.006465 -0.001971 0.016738 5C 3s 0.165052 -0.043607 -0.207861 -0.109056 -0.217978 -0.393733 5C 4s -0.916782 0.202037 0.970999 0.320549 1.029310 1.254038 5C 5s -0.229016 -0.234144 1.310958 -0.103579 -0.297433 1.096890 5C 1pz -0.018921 -0.021977 -0.015693 0.035266 -0.008590 0.003735 5C 1px 0.005975 -0.002862 0.040962 0.012768 -0.004883 -0.001909 5C 1py 0.060408 0.013157 0.010057 -0.020994 0.026480 -0.034888 5C 2pz 0.492071 0.028101 0.130105 -0.636139 -0.145518 -0.355361 5C 2px -0.236390 -0.108300 0.015540 0.800033 0.274628 0.237287 5C 2py -0.754669 0.101805 -0.126726 0.551517 0.148857 0.636380 5C 3pz 0.019522 0.078551 -0.199621 -0.478561 0.446378 -0.756032 5C 3px -0.501906 -0.277245 0.892200 0.369074 0.985777 -0.228650 5C 3py -0.467431 -0.042915 0.087183 0.153135 -0.711490 1.511815 5C 1dz2 0.026897 0.014890 0.003333 -0.005037 -0.049666 0.130198 5C 1dxz -0.101196 -0.043053 0.183559 -0.023145 0.170703 0.120275 5C 1dyz -0.085432 0.007514 0.066159 -0.031476 0.115027 -0.077243 5C 1dx2y2 -0.002499 0.018832 -0.002987 -0.046492 0.005173 -0.004393 5C 1dxy -0.118104 0.026031 -0.003243 0.048673 0.123762 0.095298 5C 2dz2 0.131480 0.050809 -0.160755 -0.306534 -0.166470 -0.384002 5C 2dxz -0.097053 0.003380 -0.235997 0.629880 -0.047090 -0.064588 5C 2dyz 0.175638 0.008747 -0.221388 0.274514 -0.225161 0.127352 5C 2dx2y2 0.036581 -0.150584 -0.005951 0.467008 0.146549 0.043189 5C 2dxy 0.628058 -0.137338 0.054393 -0.627277 -0.376727 -0.508255 5C 1f0 -0.028540 0.017263 -0.096471 0.042300 -0.116537 0.163362 5C 1f+1 -0.049116 0.008165 0.019039 -0.064249 -0.045731 0.035291 5C 1f-1 0.008113 -0.019360 0.015417 0.056850 0.030814 -0.027342 5C 1f+2 -0.107416 -0.032356 0.037874 -0.061476 0.021318 0.048942 5C 1f-2 0.008230 -0.036922 0.029718 -0.016618 -0.032109 0.032811 5C 1f+3 0.012238 0.051662 0.026585 -0.055319 0.025813 -0.074379 5C 1f-3 -0.123476 -0.008351 0.078291 -0.060696 0.079588 0.085509 6C 1s -0.001691 0.003093 0.000530 -0.002292 -0.001191 0.006245 6C 2s -0.004740 0.008823 -0.000396 -0.007862 -0.001781 0.017389 6C 3s -0.162317 -0.035247 0.217260 0.141485 -0.223926 -0.360189 6C 4s 0.902779 0.152718 -0.971304 -0.423448 1.062077 1.091364 6C 5s 0.218180 -0.267838 -1.284349 0.044653 -0.228603 0.948482 6C 1pz -0.018217 0.022203 -0.018138 0.037593 0.010938 -0.001345 6C 1px 0.005036 0.003350 0.040999 0.013654 0.005424 0.002344 6C 1py 0.059353 -0.015453 0.011100 -0.025554 -0.023529 0.037806 6C 2pz 0.485164 -0.034296 0.132145 -0.688736 0.162605 0.340507 6C 2px -0.236132 0.105191 -0.002486 0.813727 -0.262918 -0.184854 6C 2py -0.743121 -0.083925 -0.109753 0.628795 -0.207668 -0.678616 6C 3pz 0.009437 -0.073623 -0.219884 -0.560769 -0.468072 0.728583 6C 3px -0.480849 0.311032 0.874770 0.397213 -0.954436 0.266823 6C 3py -0.454629 0.052179 0.125762 0.277475 0.665680 -1.575315 6C 1dz2 -0.022498 0.014696 -0.003745 0.002873 -0.041703 0.128184 6C 1dxz 0.090461 -0.047798 -0.184614 0.009660 0.170090 0.123013 6C 1dyz 0.084129 0.003476 -0.059599 0.033644 0.114144 -0.093597 6C 1dx2y2 -0.000250 0.018884 -0.002141 0.045492 0.009484 0.013919 6C 1dxy 0.112908 0.023706 0.005789 -0.055759 0.128586 0.099467 6C 2dz2 -0.133428 0.054169 0.153976 0.323960 -0.182802 -0.364066 6C 2dxz 0.102897 0.011323 0.243990 -0.634478 -0.054729 -0.098548 6C 2dyz -0.170934 0.023064 0.206200 -0.271560 -0.217608 0.171753 6C 2dx2y2 -0.030131 -0.139509 0.028466 -0.461149 0.132242 -0.023509 6C 2dxy -0.621162 -0.124922 -0.061753 0.671377 -0.398770 -0.489904 6C 1f0 -0.028813 -0.019507 -0.094258 0.051816 0.112456 -0.165137 6C 1f+1 -0.047313 -0.003796 0.023212 -0.061052 0.040845 -0.047896 6C 1f-1 0.009186 0.019319 0.011223 0.057385 -0.022424 0.035770 6C 1f+2 -0.103905 0.038212 0.031618 -0.054541 -0.017161 -0.048630 6C 1f-2 0.007868 0.036553 0.027484 -0.014010 0.035023 -0.024850 6C 1f+3 0.013390 -0.050275 0.032880 -0.057239 -0.022236 0.070464 6C 1f-3 -0.121053 0.015138 0.074335 -0.054728 -0.084190 -0.083159 7C 1s -0.005728 -0.001235 0.000033 -0.003087 -0.003638 0.003285 7C 2s -0.016371 -0.005745 0.001057 -0.011363 -0.011304 0.007631 7C 3s -0.376640 0.196138 -0.140897 0.145318 0.083785 -0.251114 7C 4s 2.164651 -0.800460 0.630890 -0.590922 -0.141030 0.698889 7C 5s 1.546492 -0.382918 0.127972 0.684101 -0.500003 1.066286 7C 1pz -0.013982 0.096824 -0.041526 0.147448 0.101754 -0.002201 7C 1px 0.045187 0.004931 -0.031684 0.046765 0.034741 0.015475 7C 1py 0.011780 0.041176 -0.002263 0.106637 0.088230 0.027647 7C 2pz 0.118333 -1.091803 0.327875 -2.049311 -0.888901 0.185137 7C 2px -0.623559 0.102201 0.253944 0.692260 0.385406 -0.395798 7C 2py -0.205382 -0.481473 0.047819 -1.014686 -0.513903 -0.212227 7C 3pz -0.401446 -1.144355 0.393693 -0.513443 -1.276480 1.091661 7C 3px -0.229830 1.027739 -0.539600 1.077801 0.701266 0.733229 7C 3py -0.377382 -0.139308 -0.478284 0.137942 -0.758000 0.619399 7C 1dz2 0.008793 0.073172 -0.083664 -0.007334 -0.046024 0.030398 7C 1dxz -0.049085 0.007281 -0.021063 0.040339 -0.043483 -0.170754 7C 1dyz -0.179904 0.048268 -0.023246 0.006259 -0.098372 0.054947 7C 1dx2y2 -0.191143 0.133500 -0.144490 -0.051080 -0.039236 -0.157373 7C 1dxy -0.087624 -0.196129 0.124490 -0.043667 0.006795 -0.110999 7C 2dz2 -0.150671 -0.414585 0.446120 0.039705 0.044316 -0.226975 7C 2dxz 0.378457 -0.429739 0.061360 -0.987489 -0.338120 0.510587 7C 2dyz 0.542399 -0.337699 0.139543 -0.280304 0.007440 -0.140132 7C 2dx2y2 0.462006 0.037227 0.260242 0.482020 0.385472 0.513206 7C 2dxy 0.611998 0.114396 -0.283950 -0.502052 -0.251333 0.416288 7C 1f0 0.094578 -0.083575 0.107922 0.034190 0.069249 0.033328 7C 1f+1 0.066271 0.025701 0.042038 0.020770 0.018083 0.099649 7C 1f-1 0.111194 -0.087945 0.039016 -0.053161 -0.079144 0.183914 7C 1f+2 -0.113435 0.033508 -0.027626 -0.068160 -0.002077 0.020082 7C 1f-2 -0.036277 0.040173 -0.049809 -0.014466 -0.062228 0.009898 7C 1f+3 -0.034508 0.015239 -0.079928 -0.090875 -0.080766 0.076901 7C 1f-3 0.095446 0.092161 -0.094281 0.023915 0.042053 0.030539 8C 1s 0.003008 -0.006886 0.000686 -0.002116 -0.011835 0.011767 8C 2s 0.008832 -0.020056 0.002898 -0.004563 -0.034834 0.033712 8C 3s 0.133271 0.036885 -0.072901 -0.152462 0.162244 0.161944 8C 4s -1.070694 0.208383 0.238437 0.805061 0.002747 -1.592161 8C 5s -0.311716 0.144905 0.702766 0.480612 0.799349 -1.769950 8C 1pz -0.038889 -0.007492 0.035857 0.041388 -0.045818 -0.066777 8C 1px -0.000401 -0.009756 0.008571 -0.090480 0.005598 -0.021399 8C 1py 0.012426 -0.000450 -0.021435 -0.104105 0.035647 0.040014 8C 2pz 0.525585 0.209336 -0.175275 -0.248742 0.288509 0.604876 8C 2px 0.289545 0.154402 -0.098271 0.685006 0.187796 0.098018 8C 2py -0.504324 -0.092537 0.115149 0.649013 -0.576246 -0.191791 8C 3pz 0.132014 -0.003309 -0.014468 0.052334 -0.152058 0.492095 8C 3px 0.451377 -0.104236 -0.462091 0.002915 0.305444 0.375467 8C 3py 0.037025 0.057768 0.033688 0.204537 0.461002 -0.443083 8C 1dz2 -0.012201 0.085621 -0.064736 0.143399 0.007763 0.243021 8C 1dxz -0.119334 0.004667 0.073440 -0.103344 -0.110061 0.050579 8C 1dyz -0.009606 0.010426 -0.032299 -0.014831 0.076782 -0.122590 8C 1dx2y2 0.219782 0.009349 -0.202357 0.064810 0.260308 -0.009003 8C 1dxy -0.390009 0.015189 0.270170 -0.075362 -0.318737 -0.167829 8C 2dz2 -0.110418 -0.114669 0.079951 -0.203048 -0.014943 -0.357089 8C 2dxz 0.173475 0.023161 -0.036288 0.295483 0.100842 -0.022149 8C 2dyz 0.292164 0.026471 -0.004285 -0.112839 0.198301 0.291770 8C 2dx2y2 0.044326 0.079416 0.144572 -0.303497 -0.049057 0.074580 8C 2dxy 0.442760 0.083157 -0.247404 0.402734 0.319507 0.175581 8C 1f0 -0.047680 -0.001521 -0.016787 0.000252 -0.067092 0.017740 8C 1f+1 0.006115 0.001458 -0.009048 -0.037093 0.016640 0.024215 8C 1f-1 0.060680 -0.039367 -0.021596 -0.032713 0.006248 -0.032868 8C 1f+2 0.022969 -0.006547 -0.066865 -0.027841 0.059533 -0.029307 8C 1f-2 -0.070912 0.032990 0.114270 0.048642 -0.058472 -0.062920 8C 1f+3 0.082341 -0.001533 -0.000864 -0.006249 0.032746 0.010838 8C 1f-3 -0.046289 -0.014880 -0.075208 -0.013419 0.040793 -0.013861 9C 1s 0.001647 -0.010610 0.004273 -0.008402 -0.019615 0.010399 9C 2s 0.006485 -0.029215 0.011801 -0.020468 -0.054542 0.031265 9C 3s 0.048701 -0.194297 0.084695 -0.368485 -0.117889 0.014804 9C 4s -0.583831 1.871457 -0.795937 2.517364 1.955659 -0.693121 9C 5s -0.150597 1.079861 0.016039 -0.104431 1.231360 -1.448938 9C 1pz 0.015540 0.048473 0.030403 0.159337 0.086736 0.015232 9C 1px 0.023985 -0.016631 -0.000216 -0.080685 -0.031344 0.007247 9C 1py 0.008374 0.065032 -0.083599 0.046658 -0.005640 -0.055332 9C 2pz 0.426418 -0.550897 -0.087916 -1.371871 -0.454729 -0.213494 9C 2px 0.144095 0.054500 0.115846 0.623106 0.475342 -0.193193 9C 2py 0.312942 -0.733329 0.677448 -0.582351 0.120100 0.249673 9C 3pz -0.009829 -0.059907 -0.294648 -0.027689 -0.546978 0.384914 9C 3px 0.322802 -0.472751 0.255605 -0.096550 -0.186389 -0.051445 9C 3py 0.167999 -0.497190 0.449674 -0.079875 -0.149874 0.535767 9C 1dz2 -0.216701 0.406655 -0.473100 -0.059974 -0.247302 -0.085307 9C 1dxz 0.145001 -0.250934 0.200054 -0.080923 0.033435 -0.006746 9C 1dyz 0.130825 -0.303332 0.315546 -0.013280 0.049385 0.212588 9C 1dx2y2 0.206594 -0.210444 0.084493 0.043879 0.085522 -0.196084 9C 1dxy 0.127487 -0.088861 -0.140478 -0.091800 -0.093426 -0.255322 9C 2dz2 0.002087 -0.222044 0.520580 0.484923 0.347015 0.162581 9C 2dxz 0.024525 0.268219 -0.280827 0.052175 -0.070604 0.143163 9C 2dyz -0.434640 0.497391 -0.488942 0.188420 -0.226240 -0.310995 9C 2dx2y2 -0.242709 0.035213 -0.096747 -0.489318 -0.305466 0.066913 9C 2dxy -0.066449 -0.068035 0.301640 -0.029866 0.117703 0.380558 9C 1f0 0.007749 0.079440 -0.077028 -0.021314 -0.035750 0.003174 9C 1f+1 0.011040 -0.135066 0.024125 -0.149625 -0.086151 -0.090440 9C 1f-1 0.085174 0.064397 -0.036931 0.021623 0.058959 0.041128 9C 1f+2 -0.055295 0.103781 -0.095316 0.033961 0.038967 -0.078158 9C 1f-2 0.014999 -0.159683 0.068282 -0.117511 -0.083691 -0.063107 9C 1f+3 0.044606 -0.064239 0.058257 -0.033260 0.046635 -0.025082 9C 1f-3 0.039179 -0.033077 0.002974 -0.021525 0.015140 0.032110 10H 1s -0.010881 0.081026 0.007961 -0.143180 0.095954 0.033027 10H 2s -0.303085 -0.372014 -0.321185 -0.203722 -0.244548 0.342378 10H 3s -0.130746 -0.154644 -0.071491 -0.042004 0.053415 -0.050726 10H 1pz -0.047540 -0.014984 -0.091608 -0.159790 0.031146 0.100600 10H 1px 0.049950 0.154391 0.073270 -0.125288 0.240113 -0.157863 10H 1py 0.001521 0.044384 0.033838 -0.075450 -0.029263 -0.003935 11H 1s -0.010312 0.005133 -0.042432 -0.028258 0.077081 -0.038536 11H 2s 0.185332 -0.558466 -0.413417 0.479066 -0.647821 0.456570 11H 3s 0.031320 -0.035100 -0.045309 -0.042215 0.184429 0.024131 11H 1pz 0.043602 -0.237847 -0.165425 0.217284 -0.222663 0.141330 11H 1px 0.078127 -0.084386 -0.002092 0.151075 -0.239083 0.087457 11H 1py 0.029054 0.058719 0.039180 0.036277 0.120137 -0.118026 12H 1s -0.000609 0.019851 0.066337 0.033783 -0.014024 -0.074987 12H 2s 0.243716 -0.094368 0.282670 0.597573 -1.022310 0.139381 12H 3s 0.119019 0.168729 0.229526 -0.072798 0.029178 -0.102102 12H 1pz 0.034301 -0.010547 0.071389 0.137165 -0.038386 -0.112689 12H 1px 0.073323 -0.051969 -0.018128 0.129864 -0.171057 0.026343 12H 1py 0.046951 -0.125370 0.022429 0.224831 -0.383725 0.125905 13H 1s 0.018322 0.017174 -0.034199 -0.091951 -0.017953 -0.020729 13H 2s -0.230663 -0.166108 0.123058 -0.239740 -0.092792 0.341223 13H 3s -0.121012 -0.002919 0.206441 0.025975 0.191748 0.015888 13H 1pz 0.000505 -0.066785 -0.002852 -0.015512 -0.092722 0.112473 13H 1px 0.087201 0.066436 -0.014473 -0.040952 0.051112 -0.148654 13H 1py 0.009161 -0.007955 0.013403 0.152551 0.015493 -0.007417 14H 1s 0.033541 -0.007847 0.004794 0.081487 0.019235 -0.031512 14H 2s 0.247517 -0.347065 -0.010476 0.524686 -0.348064 0.235596 14H 3s 0.163861 0.055588 -0.085208 0.058841 -0.134751 -0.091209 14H 1pz 0.015658 -0.084156 0.012551 0.124494 -0.051328 0.098441 14H 1px 0.035055 -0.121508 0.017308 0.130865 -0.122163 0.127878 14H 1py -0.052653 0.003390 -0.053015 -0.171264 -0.075067 0.067616 15H 1s -0.034374 0.020521 0.006053 -0.052953 0.039688 -0.062795 15H 2s -0.119860 -0.064526 0.088710 0.036421 -0.389983 0.571249 15H 3s -0.030755 0.008902 0.030170 -0.006903 0.124749 -0.008846 15H 1pz -0.021288 0.053681 0.025136 -0.011386 0.155155 -0.125210 15H 1px 0.038969 -0.006919 -0.034330 0.063027 -0.064605 0.026154 15H 1py 0.102295 0.030901 -0.039296 -0.014712 0.118910 -0.233567 16H 1s 0.010582 -0.013467 -0.001373 -0.015540 0.014961 -0.022942 16H 2s 0.329603 0.247484 0.061491 -0.666291 0.375121 0.222754 16H 3s -0.062153 -0.014334 0.006075 0.142746 -0.013819 0.011457 16H 1pz 0.133482 0.089256 0.028792 -0.283944 0.153705 0.072958 16H 1px 0.003030 0.001143 -0.009148 -0.020926 0.018342 0.001277 16H 1py 0.019430 0.015101 0.010820 -0.055132 0.016875 0.014925 17H 1s -0.009065 -0.016928 0.000705 -0.013041 0.005433 -0.021883 17H 2s 0.371827 0.235965 -0.059537 -0.567816 0.421788 0.178694 17H 3s -0.092511 0.000012 0.031821 0.131945 -0.025328 0.029893 17H 1pz -0.110470 -0.057641 0.011960 0.193808 -0.135211 -0.041915 17H 1px -0.107046 -0.062667 0.020472 0.130060 -0.104582 -0.044362 17H 1py 0.048189 0.034424 -0.022395 -0.068089 0.051741 0.021519 18H 1s 0.008863 -0.017591 0.001646 0.014809 0.005432 -0.021696 18H 2s -0.370010 0.234989 0.042132 0.555878 0.418018 0.198822 18H 3s 0.093794 -0.000743 -0.031940 -0.133857 -0.025999 0.021421 18H 1pz -0.111975 0.057142 0.008270 0.193521 0.135184 0.049183 18H 1px -0.106079 0.063272 0.016519 0.126260 0.102652 0.049235 18H 1py 0.044560 -0.032183 -0.020043 -0.061414 -0.047358 -0.022759 19H 1s -0.011328 -0.013979 0.002577 0.015780 0.013740 -0.021644 19H 2s -0.325778 0.244837 -0.075063 0.659195 0.371106 0.249165 19H 3s 0.060402 -0.013812 -0.005467 -0.143861 -0.015069 0.003849 19H 1pz 0.131420 -0.087018 0.032968 -0.280776 -0.151348 -0.084428 19H 1px 0.002259 0.000609 -0.008726 -0.018625 -0.017172 -0.000790 19H 1py 0.022572 -0.017260 0.011851 -0.061142 -0.020957 -0.020510 20H 1s 0.034938 0.018114 -0.005056 0.058167 0.043242 -0.057342 20H 2s 0.119236 -0.074531 -0.103991 -0.075651 -0.371584 0.601170 20H 3s 0.029255 0.008720 -0.034985 0.006526 0.137852 0.008380 20H 1pz -0.021167 -0.053051 0.027974 -0.019212 -0.163415 0.121745 20H 1px 0.037052 0.003830 -0.030581 0.064311 0.063060 -0.024852 20H 1py 0.101207 -0.036418 -0.045217 -0.033899 -0.109829 0.242409 21H 1s -0.033954 -0.004122 -0.004964 -0.080105 0.015502 -0.039777 21H 2s -0.244223 -0.328283 0.018469 -0.551252 -0.386281 0.179579 21H 3s -0.156173 0.064351 0.079445 -0.050116 -0.130112 -0.103891 21H 1pz 0.017143 0.082736 0.009371 0.136322 0.063253 -0.086003 21H 1px 0.035001 0.118193 0.014891 0.142988 0.131637 -0.119103 21H 1py -0.052195 0.001153 -0.055849 -0.169641 0.071852 -0.077905 22H 1s -0.017854 0.016613 0.035026 0.095832 -0.018124 -0.015011 22H 2s 0.222248 -0.185918 -0.106431 0.205042 -0.120937 0.328750 22H 3s 0.114680 -0.009537 -0.204799 -0.034549 0.192180 0.007456 22H 1pz 0.001489 0.067350 -0.006625 -0.005667 0.102934 -0.102909 22H 1px 0.085353 -0.070546 -0.010119 -0.054769 -0.055641 0.147276 22H 1py 0.009292 0.002838 0.015483 0.153564 -0.020389 0.014981 23H 1s 0.001451 0.021051 -0.065814 -0.024546 -0.009787 -0.082955 23H 2s -0.232879 -0.102792 -0.301307 -0.617796 -1.015970 0.058057 23H 3s -0.116654 0.162352 -0.227224 0.078116 0.039051 -0.103258 23H 1pz 0.032298 0.009103 0.064429 0.127751 0.038641 0.124246 23H 1px 0.070885 0.049894 -0.018612 0.130330 0.171758 -0.015950 23H 1py 0.046084 0.128130 0.030619 0.241973 0.388030 -0.095638 24H 1s 0.010151 0.004768 0.047081 0.030621 0.075871 -0.028962 24H 2s -0.187671 -0.555023 0.414842 -0.529173 -0.684650 0.445502 24H 3s -0.033913 -0.031949 0.055877 0.044364 0.170086 0.043625 24H 1pz 0.044329 0.235279 -0.166053 0.234814 0.231488 -0.136451 24H 1px 0.077340 0.087474 0.000172 0.162216 0.246192 -0.075326 24H 1py 0.029318 -0.057267 0.030606 0.029513 -0.112866 0.111370 25H 1s 0.010507 0.080372 -0.010761 0.142419 0.096438 0.041680 25H 2s 0.292617 -0.378644 0.300822 0.160380 -0.217247 0.331749 25H 3s 0.127328 -0.151350 0.077287 0.045566 0.066502 -0.042052 25H 1pz -0.044927 0.018870 -0.088030 -0.147507 -0.031093 -0.107578 25H 1px 0.048526 -0.154801 0.061973 -0.143055 -0.237949 0.139646 25H 1py 0.001483 -0.044944 0.038822 -0.078580 0.017283 0.009742 26O 1s 0.005460 0.001225 0.000791 0.012788 -0.007772 -0.022222 26O 2s 0.019750 0.006308 0.002391 0.042465 -0.027386 -0.076993 26O 3s -0.228034 -0.051505 -0.001444 -0.288048 0.205254 0.626039 26O 4s 0.888255 -0.015650 -0.157539 0.458069 -0.369976 -1.608045 26O 5s 1.252029 0.106944 0.454079 -0.957319 0.390250 0.659807 26O 1pz -0.127027 -0.190657 -0.148403 0.048452 -0.026842 0.046674 26O 1px 0.192660 0.003595 0.022152 -0.080079 0.108734 0.001899 26O 1py -0.003011 -0.120044 0.026396 0.082192 -0.081107 -0.050175 26O 2pz 0.214582 0.431003 0.310689 -0.164670 0.069451 -0.071735 26O 2px -0.780875 0.054027 0.017402 0.193059 -0.159877 0.309150 26O 2py -0.188144 0.222822 -0.071028 -0.180018 0.206233 0.246530 26O 3pz 0.107730 -0.489641 -0.236218 0.284952 -0.509555 0.145844 26O 3px -0.444040 -0.137604 0.002267 0.319637 -0.314663 -0.077874 26O 3py -0.135692 -0.457990 0.024814 0.346757 -0.556996 -0.033300 26O 1dz2 -0.004358 -0.000754 0.000607 0.001654 -0.003019 0.001000 26O 1dxz -0.003649 -0.002155 0.000958 0.001706 -0.001421 -0.001614 26O 1dyz -0.002260 -0.010577 -0.002358 0.003594 -0.002223 0.003358 26O 1dx2y2 0.004638 -0.005021 -0.004813 -0.002461 0.006479 -0.000765 26O 1dxy 0.006200 -0.002479 0.005394 0.003205 -0.000450 -0.005912 26O 2dz2 -0.074980 -0.046663 -0.021047 0.047572 -0.042639 -0.007941 26O 2dxz -0.152932 -0.086755 -0.065271 -0.038216 0.028035 -0.041626 26O 2dyz -0.084100 -0.087955 -0.031897 0.013794 -0.030583 0.033918 26O 2dx2y2 0.143704 0.040669 0.003728 -0.052643 0.041510 0.059552 26O 2dxy -0.002206 0.001528 0.018906 -0.031252 0.020826 -0.009147 26O 1f0 -0.002934 -0.008259 -0.006086 0.012551 0.001157 0.008207 26O 1f+1 0.003191 -0.006669 -0.007788 0.000119 -0.005853 -0.005232 26O 1f-1 -0.000562 -0.000828 -0.005359 0.000310 0.001140 -0.012511 26O 1f+2 0.018502 0.017899 0.010692 -0.011755 -0.003259 -0.009586 26O 1f-2 -0.013502 -0.004398 -0.004576 -0.007610 -0.004408 -0.001397 26O 1f+3 -0.006297 -0.027952 -0.024180 -0.004653 0.005382 -0.003667 26O 1f-3 0.022198 0.007809 0.009305 0.005293 -0.006861 -0.020134 27O 1s 0.007990 0.001861 0.004545 0.005001 0.007879 -0.018568 27O 2s 0.028990 0.007175 0.015760 0.015086 0.025967 -0.064539 27O 3s -0.244440 -0.072793 -0.113546 -0.040699 -0.150074 0.509093 27O 4s 0.569751 0.208688 0.259707 -0.344201 0.097200 -1.180879 27O 5s 0.280714 0.055894 -1.220009 -0.813234 -1.267576 0.503761 27O 1pz -0.064984 -0.076670 0.113480 0.164284 0.093800 0.010597 27O 1px 0.049881 -0.004167 -0.078160 -0.043638 -0.080472 0.015550 27O 1py 0.144656 -0.000089 -0.092810 0.030339 -0.055087 -0.077028 27O 2pz 0.126836 0.165490 -0.207298 -0.364754 -0.189356 0.003938 27O 2px -0.257474 -0.044950 0.187247 0.359249 0.373156 0.173718 27O 2py -0.288466 0.038994 0.174207 -0.093438 0.071247 0.151371 27O 3pz 0.038814 -0.159943 0.210119 0.173015 -0.017002 0.284952 27O 3px -0.090752 -0.118704 0.366804 0.532155 0.041583 0.205682 27O 3py 0.136175 0.160678 -0.330827 -0.142017 0.137583 -0.347817 27O 1dz2 0.002327 -0.005015 0.005832 0.000540 0.001817 0.001582 27O 1dxz 0.003868 0.001496 -0.003952 0.005302 -0.004000 -0.000895 27O 1dyz 0.002809 0.003826 -0.002579 -0.002862 -0.003937 -0.005726 27O 1dx2y2 0.001083 -0.002394 -0.004224 -0.002089 0.000206 -0.002622 27O 1dxy 0.002266 0.003750 0.002215 -0.002281 -0.002418 0.000084 27O 2dz2 0.028220 -0.025764 0.044589 0.036036 0.026762 -0.000916 27O 2dxz -0.052001 -0.031127 0.080046 0.074370 0.116200 -0.066535 27O 2dyz 0.021184 0.035491 -0.018653 -0.059226 -0.022753 -0.041218 27O 2dx2y2 0.077643 -0.001847 -0.078656 -0.047473 -0.065538 -0.005646 27O 2dxy 0.087329 -0.024413 -0.035665 0.043561 -0.050524 -0.028328 27O 1f0 0.007498 0.005421 -0.024699 0.004294 -0.020447 -0.001962 27O 1f+1 0.011101 0.003253 -0.002174 0.001168 -0.005801 -0.012981 27O 1f-1 0.003005 -0.004379 0.001300 0.001659 -0.003452 0.001408 27O 1f+2 0.000522 -0.004911 0.009062 -0.002812 0.006370 0.008329 27O 1f-2 0.020699 0.004324 -0.013952 -0.005266 -0.014131 -0.012215 27O 1f+3 0.000186 0.000037 0.004218 -0.014188 -0.011750 -0.012494 27O 1f-3 0.013039 -0.001300 0.002399 -0.002950 -0.005183 -0.006973 28O 1s -0.006645 0.003035 0.000507 -0.015948 0.021003 -0.019108 28O 2s -0.025593 0.006710 0.000692 -0.051685 0.072235 -0.067834 28O 3s 0.188967 0.001223 -0.019768 0.266016 -0.494046 0.496512 28O 4s -0.436880 -0.143592 0.173837 0.101059 0.731210 -0.744881 28O 5s 0.999208 -1.053329 -0.143379 2.492056 -2.152756 1.173907 28O 1pz 0.059642 0.206690 0.075761 -0.112996 0.006251 0.150414 28O 1px -0.085580 0.043411 -0.005485 -0.241803 0.112532 -0.145123 28O 1py 0.015337 0.173406 0.052725 -0.243842 0.107362 0.033397 28O 2pz -0.184408 -0.282409 -0.198326 -0.111114 0.165993 -0.339447 28O 2px 0.158829 -0.224465 0.075325 0.847698 -0.390468 0.371094 28O 2py -0.057266 -0.309006 -0.118660 0.422033 -0.181927 -0.044147 28O 3pz -0.189626 0.780876 0.084599 -0.984435 0.290304 0.785683 28O 3px 0.098179 -0.243872 0.063707 0.615485 -0.214544 -0.009040 28O 3py 0.005395 0.509694 0.281459 -0.440322 -0.000346 0.455240 28O 1dz2 0.001157 0.001762 -0.001039 -0.001157 -0.005594 0.000766 28O 1dxz -0.007477 -0.007227 -0.003185 -0.000745 -0.001519 -0.006841 28O 1dyz 0.006996 0.006567 0.000093 -0.003400 -0.006038 0.009022 28O 1dx2y2 0.009407 0.006873 0.004935 0.007011 -0.000678 0.003575 28O 1dxy 0.006875 0.006887 0.007653 0.002397 -0.003705 0.002260 28O 2dz2 0.048009 0.035482 0.014742 -0.023659 -0.092619 -0.032734 28O 2dxz -0.050131 0.094055 0.020327 -0.166167 0.104585 -0.012651 28O 2dyz 0.090494 0.090661 0.025033 -0.089955 -0.030554 0.026671 28O 2dx2y2 0.059834 -0.053351 0.023684 0.177209 -0.066031 0.011145 28O 2dxy 0.036917 -0.008416 0.002573 0.036371 -0.019824 0.059686 28O 1f0 -0.006040 -0.010022 -0.001059 0.005218 -0.007492 0.008457 28O 1f+1 0.021941 0.002093 0.005418 0.010870 -0.003175 -0.005550 28O 1f-1 0.001418 0.012837 0.010470 -0.010965 0.003321 0.007592 28O 1f+2 -0.006239 -0.003294 -0.012711 -0.010112 0.008717 -0.000418 28O 1f-2 0.001778 -0.015598 -0.002458 0.018249 0.003919 -0.014325 28O 1f+3 0.007630 0.002569 0.003020 0.000468 0.000656 -0.007533 28O 1f-3 0.006127 -0.006605 -0.001567 0.001056 0.001131 -0.001696 29O 1s 0.012406 0.010762 -0.002780 -0.030995 0.017585 0.008508 29O 2s 0.041195 0.035816 -0.009619 -0.103599 0.058823 0.027479 29O 3s -0.244244 -0.218492 0.068790 0.649198 -0.368815 -0.153781 29O 4s 0.382101 0.292558 -0.109335 -1.018651 0.610343 0.099496 29O 5s -1.001754 -0.552805 0.076966 2.076828 -1.359068 -0.048549 29O 1pz -0.019726 -0.024712 0.006093 0.082448 -0.037270 -0.031643 29O 1px 0.052868 0.060852 -0.027129 -0.193247 0.091378 0.090572 29O 1py -0.074299 -0.012032 0.004857 0.110948 -0.054201 0.022852 29O 2pz 0.066294 0.067257 0.032291 -0.270271 0.104873 0.074728 29O 2px -0.214932 -0.171319 0.065901 0.522901 -0.287654 -0.194038 29O 2py 0.247959 0.095524 -0.015184 -0.403731 0.223632 0.012028 29O 3pz -0.038510 0.037890 0.019246 0.169613 -0.082011 0.106413 29O 3px 0.270429 0.113799 -0.055739 -0.581699 0.319258 -0.053472 29O 3py 0.124221 0.120312 0.032419 -0.207365 0.227048 0.146762 29O 1dz2 0.003875 0.001617 0.000752 -0.005937 0.002396 0.000864 29O 1dxz 0.004378 -0.000502 0.000380 -0.007200 0.003389 -0.003247 29O 1dyz -0.001088 -0.001105 0.003158 -0.001972 -0.000434 -0.000097 29O 1dx2y2 -0.006734 -0.003266 0.001344 0.007310 -0.003956 -0.000245 29O 1dxy -0.004392 -0.000901 -0.000464 0.000626 -0.002692 -0.002857 29O 2dz2 -0.028172 -0.022954 -0.010701 0.070601 -0.034217 -0.023852 29O 2dxz -0.015073 -0.031956 0.017351 0.012310 -0.021774 -0.038861 29O 2dyz -0.016997 -0.017202 -0.012668 0.055750 -0.018631 -0.015665 29O 2dx2y2 -0.011814 0.001524 0.010778 0.001261 0.000022 0.022156 29O 2dxy 0.054894 0.036166 -0.015109 -0.133701 0.081332 0.018379 29O 1f0 0.004559 0.005919 -0.000924 -0.007650 0.006428 0.005614 29O 1f+1 -0.002514 -0.001415 -0.001168 0.005503 -0.003972 -0.000873 29O 1f-1 0.003301 0.005172 0.000575 -0.006463 0.002690 0.005724 29O 1f+2 0.000405 -0.002600 0.000439 0.001065 -0.001981 -0.002586 29O 1f-2 0.005959 0.004701 0.000100 -0.005523 0.004201 0.005299 29O 1f+3 0.005134 0.001707 0.000216 -0.005016 0.001899 0.002025 29O 1f-3 -0.001533 -0.002746 0.001338 0.002371 -0.001418 -0.000910 30O 1s 0.001225 0.004812 -0.005303 -0.014994 0.000449 -0.021238 30O 2s 0.001589 0.017019 -0.016776 -0.049793 0.004755 -0.073244 30O 3s 0.021261 -0.144328 0.141378 0.289697 -0.060213 0.520623 30O 4s -0.221531 0.382618 -0.450487 -0.078913 0.215124 -0.812161 30O 5s -0.507303 -0.326642 0.016634 1.498155 -0.391576 1.395129 30O 1pz 0.062201 0.081408 -0.091509 -0.034823 -0.094151 0.038114 30O 1px 0.077978 0.012643 -0.029150 -0.210704 -0.051581 -0.139814 30O 1py -0.091138 0.018452 0.071470 0.014511 0.071010 -0.043202 30O 2pz -0.057573 -0.199908 0.251605 -0.061383 0.193745 -0.116135 30O 2px -0.252935 0.018756 -0.042380 0.649879 0.107979 0.352665 30O 2py 0.125997 -0.001990 -0.225346 0.122843 -0.188798 0.120404 30O 3pz 0.358205 0.179714 -0.082173 -0.292468 -0.423662 0.112333 30O 3px -0.111161 -0.097668 -0.270341 0.420945 -0.126180 0.099264 30O 3py -0.130847 -0.146008 0.113187 0.458994 0.360116 -0.382809 30O 1dz2 -0.005122 0.000645 0.005085 -0.007507 0.005438 -0.001735 30O 1dxz 0.002813 0.002479 0.003494 -0.002581 -0.002348 0.000849 30O 1dyz -0.007092 -0.001311 0.006569 0.003544 0.013923 -0.004116 30O 1dx2y2 0.005166 0.003389 -0.004926 0.007268 0.000799 0.001892 30O 1dxy 0.001861 0.003547 -0.003971 0.000871 -0.000782 0.000880 30O 2dz2 0.007697 0.038597 -0.001406 -0.113942 0.004515 -0.034778 30O 2dxz 0.051646 -0.001265 0.019216 -0.060748 -0.019331 -0.025474 30O 2dyz -0.081913 0.004584 0.034163 0.037586 0.109165 -0.010414 30O 2dx2y2 -0.069765 0.021813 -0.012987 0.085052 0.064738 0.068022 30O 2dxy -0.035443 -0.017893 0.053074 0.120914 0.062484 0.027367 30O 1f0 -0.003145 0.003372 0.000623 0.000892 0.000274 -0.001421 30O 1f+1 -0.007799 -0.005260 0.004567 -0.001098 0.012635 -0.004024 30O 1f-1 -0.014977 0.000006 0.008732 0.003266 0.016560 0.002543 30O 1f+2 -0.002550 0.003969 0.001482 -0.006598 -0.004136 -0.000791 30O 1f-2 0.000522 -0.001082 0.010094 -0.010683 0.000115 0.008117 30O 1f+3 0.013943 0.005203 -0.016711 -0.009395 -0.018031 -0.005880 30O 1f-3 -0.005741 -0.001667 0.012317 -0.001112 0.017825 -0.011438 31O 1s -0.001434 0.004726 0.005432 0.016766 0.000064 -0.020468 31O 2s -0.002414 0.016641 0.017248 0.055799 0.003387 -0.070824 31O 3s -0.014354 -0.141757 -0.143553 -0.331234 -0.050962 0.503795 31O 4s 0.207246 0.379693 0.451316 0.143184 0.205807 -0.787049 31O 5s 0.514374 -0.319160 -0.036772 -1.653277 -0.366540 1.442646 31O 1pz 0.055922 -0.082330 -0.088566 -0.038645 0.092493 -0.041384 31O 1px 0.076792 -0.012377 -0.034259 -0.225921 0.059324 0.146572 31O 1py -0.088040 -0.013995 0.072008 0.017634 -0.070740 0.043930 31O 2pz -0.046885 0.202583 0.243368 -0.059849 -0.188152 0.127152 31O 2px -0.249550 -0.020143 -0.030599 0.688105 -0.125218 -0.367203 31O 2py 0.120309 -0.007672 -0.223463 0.120995 0.183100 -0.129149 31O 3pz 0.342337 -0.181984 -0.085942 -0.313174 0.421572 -0.095473 31O 3px -0.113524 0.086966 -0.272515 0.432522 0.120338 -0.107295 31O 3py -0.121320 0.145954 0.115694 0.464225 -0.329260 0.398338 31O 1dz2 0.004861 0.000137 -0.004774 0.007497 0.005195 -0.001757 31O 1dxz -0.002711 0.002384 -0.003508 0.002722 -0.002653 0.000218 31O 1dyz 0.006632 -0.001504 -0.006397 -0.003700 0.014067 -0.004971 31O 1dx2y2 -0.004938 0.003840 0.004429 -0.007214 0.001312 0.002261 31O 1dxy -0.001658 0.003665 0.003822 -0.000878 -0.000890 0.001285 31O 2dz2 -0.006299 0.036506 0.001887 0.118214 0.004362 -0.034048 31O 2dxz -0.051640 -0.001747 -0.016276 0.066430 -0.022460 -0.025928 31O 2dyz 0.078518 0.001684 -0.032685 -0.039357 0.110646 -0.015448 31O 2dx2y2 0.068202 0.021144 0.008969 -0.092618 0.070761 0.075771 31O 2dxy 0.033856 -0.018509 -0.054502 -0.126991 0.060902 0.023629 31O 1f0 -0.003201 -0.003031 0.000664 0.000876 -0.000103 0.000611 31O 1f+1 -0.006779 0.005367 0.004084 -0.000547 -0.011957 0.003628 31O 1f-1 -0.014009 0.000426 0.008784 0.004153 -0.016634 -0.003016 31O 1f+2 -0.002629 -0.003676 0.001867 -0.006642 0.003675 -0.000159 31O 1f-2 0.000338 0.001487 0.009946 -0.010512 0.000127 -0.007665 31O 1f+3 0.013285 -0.005814 -0.016123 -0.010224 0.017192 0.003799 31O 1f-3 -0.005329 0.002083 0.012087 -0.001384 -0.017574 0.011391 32O 1s -0.012280 0.010521 0.002214 0.030579 0.017502 0.009839 32O 2s -0.040772 0.035008 0.007771 0.102250 0.058565 0.031937 32O 3s 0.241635 -0.213181 -0.058275 -0.641529 -0.367662 -0.181944 32O 4s -0.378788 0.284095 0.099858 1.013359 0.608782 0.143137 32O 5s 0.996071 -0.540175 -0.060510 -2.075120 -1.349681 -0.131120 32O 1pz -0.017511 0.023146 0.003635 0.077227 0.035272 0.035228 32O 1px 0.053148 -0.058518 -0.022352 -0.189837 -0.091401 -0.099444 32O 1py -0.074162 0.012012 0.005425 0.112873 0.053904 -0.018172 32O 2pz 0.058335 -0.061588 0.036780 -0.256712 -0.098165 -0.085920 32O 2px -0.215878 0.167366 0.053655 0.516903 0.287113 0.217430 32O 2py 0.246346 -0.094690 -0.010996 -0.406001 -0.221246 -0.029634 32O 3pz -0.039835 -0.037962 0.021057 0.175700 0.089545 -0.094420 32O 3px 0.268408 -0.109547 -0.056643 -0.584457 -0.315340 0.026767 32O 3py 0.126352 -0.119386 0.044674 -0.199705 -0.226808 -0.147519 32O 1dz2 -0.003899 0.001607 -0.000770 0.005995 0.002281 0.001139 32O 1dxz -0.004388 -0.000558 -0.000299 0.007380 0.003521 -0.002823 32O 1dyz 0.001028 -0.001131 -0.003174 0.002135 -0.000265 -0.000071 32O 1dx2y2 0.006621 -0.003315 -0.001276 -0.007307 -0.003837 -0.000641 32O 1dxy 0.004510 -0.000973 0.000663 -0.000383 -0.002623 -0.002567 32O 2dz2 0.027559 -0.022614 0.010655 -0.067249 -0.033765 -0.027608 32O 2dxz 0.015821 -0.032845 -0.015749 -0.011954 -0.022143 -0.038733 32O 2dyz 0.017581 -0.017312 0.013089 -0.058127 -0.018300 -0.019727 32O 2dx2y2 0.012218 0.001112 -0.012577 -0.002790 -0.000765 0.021751 32O 2dxy -0.053507 0.034492 0.013017 0.132688 0.079534 0.024684 32O 1f0 0.004224 -0.005653 -0.000612 -0.006895 -0.006194 -0.005534 32O 1f+1 -0.002808 0.001671 -0.001225 0.005811 0.004301 0.001400 32O 1f-1 0.003476 -0.005439 0.000937 -0.006707 -0.003116 -0.006141 32O 1f+2 0.000206 0.002920 0.000327 0.001267 0.002053 0.002933 32O 1f-2 0.005701 -0.004529 0.000562 -0.004682 -0.003834 -0.005203 32O 1f+3 0.005316 -0.001950 0.000283 -0.005029 -0.001942 -0.002292 32O 1f-3 -0.001255 0.002687 0.001177 0.002091 0.001207 0.001131 33O 1s 0.006286 0.002909 0.000480 0.017391 0.021684 -0.018129 33O 2s 0.024315 0.006281 0.002822 0.056715 0.074724 -0.064637 33O 3s -0.179631 0.002925 -0.006758 -0.302243 -0.508960 0.479307 33O 4s 0.422055 -0.140224 -0.134900 -0.048250 0.736715 -0.745585 33O 5s -0.985394 -1.000261 0.108650 -2.581475 -2.287027 1.004106 33O 1pz 0.054933 -0.207890 0.087172 -0.112262 -0.003158 -0.156725 33O 1px -0.084935 -0.037267 -0.009747 -0.254530 -0.130215 0.133927 33O 1py 0.014479 -0.168018 0.056894 -0.240728 -0.114120 -0.047298 33O 2pz -0.173804 0.290483 -0.220266 -0.115326 -0.189140 0.332750 33O 2px 0.158269 0.207397 0.087006 0.880549 0.440976 -0.326433 33O 2py -0.057195 0.300328 -0.126581 0.417004 0.191146 0.069394 33O 3pz -0.190309 -0.770392 0.148682 -0.951948 -0.298902 -0.872796 33O 3px 0.096970 0.231759 0.060757 0.615072 0.248034 0.049340 33O 3py -0.002268 -0.502262 0.318082 -0.417115 -0.011466 -0.473904 33O 1dz2 -0.000971 0.001720 0.000760 0.001223 -0.005295 0.000420 33O 1dxz 0.007456 -0.007367 0.003535 0.001080 -0.000637 -0.006401 33O 1dyz -0.006953 0.006557 -0.000526 0.002848 -0.006567 0.009136 33O 1dx2y2 -0.009169 0.007259 -0.005035 -0.006902 -0.001744 0.003424 33O 1dxy -0.006703 0.006711 -0.007789 -0.002527 -0.004061 0.001999 33O 2dz2 -0.044508 0.034121 -0.014908 0.029588 -0.085587 -0.034103 33O 2dxz 0.049329 0.091413 -0.024524 0.167559 0.112112 -0.001148 33O 2dyz -0.090402 0.086931 -0.027702 0.086929 -0.033184 0.032341 33O 2dx2y2 -0.059462 -0.048540 -0.023563 -0.178423 -0.074575 0.000332 33O 2dxy -0.036229 -0.004275 -0.003888 -0.036908 -0.026203 0.055184 33O 1f0 -0.005509 0.009616 -0.000471 0.005572 0.006995 -0.008503 33O 1f+1 0.021572 -0.002057 0.004711 0.010562 0.004819 0.006665 33O 1f-1 0.001127 -0.011794 0.010637 -0.010195 -0.003450 -0.008331 33O 1f+2 -0.006027 0.003062 -0.012876 -0.010319 -0.009241 -0.000499 33O 1f-2 0.002365 0.014447 -0.003464 0.016776 -0.002779 0.014795 33O 1f+3 0.007590 -0.002776 0.002941 -0.000384 -0.000948 0.007855 33O 1f-3 0.006495 0.005820 -0.001722 0.000446 -0.000245 0.001808 34O 1s -0.007624 0.001832 -0.004343 -0.004016 0.007003 -0.019179 34O 2s -0.027652 0.007044 -0.015130 -0.011577 0.022938 -0.066642 34O 3s 0.234175 -0.071245 0.112647 0.012485 -0.127761 0.518665 34O 4s -0.551930 0.200506 -0.275820 0.408258 0.052977 -1.164765 34O 5s -0.292938 0.094817 1.176598 0.796853 -1.208101 0.670806 34O 1pz -0.060177 0.077190 0.107877 0.171204 -0.081486 0.010382 34O 1px 0.052948 -0.001144 -0.069671 -0.041823 0.075643 -0.030643 34O 1py 0.141573 -0.007294 -0.090539 0.022429 0.053045 0.076315 34O 2pz 0.118036 -0.165908 -0.193379 -0.377447 0.164807 -0.048226 34O 2px -0.262682 0.055581 0.156623 0.366876 -0.364939 -0.113561 34O 2py -0.281482 -0.023768 0.174446 -0.076538 -0.071427 -0.160602 34O 3pz 0.051831 0.155545 0.215274 0.205975 0.027225 -0.267606 34O 3px -0.081241 0.118289 0.375969 0.549733 -0.044153 -0.140332 34O 3py 0.127166 -0.166691 -0.335393 -0.174699 -0.122831 0.346287 34O 1dz2 -0.002401 -0.005063 -0.005658 -0.000578 0.001868 0.001223 34O 1dxz -0.003632 0.001815 0.004044 -0.005069 -0.004150 -0.001783 34O 1dyz -0.002417 0.003865 0.002438 0.003586 -0.003904 -0.005829 34O 1dx2y2 -0.001278 -0.002233 0.003941 0.002153 0.000143 -0.001709 34O 1dxy -0.001949 0.003628 -0.002551 0.002477 -0.002215 -0.000187 34O 2dz2 -0.028178 -0.024930 -0.044065 -0.035916 0.025338 -0.005555 34O 2dxz 0.049022 -0.033533 -0.072184 -0.073187 0.107436 -0.081824 34O 2dyz -0.018562 0.035458 0.016066 0.063954 -0.020599 -0.040196 34O 2dx2y2 -0.077224 0.002241 0.073472 0.049140 -0.062949 0.006783 34O 2dxy -0.085087 -0.019361 0.033014 -0.040452 -0.048004 -0.024224 34O 1f0 0.006532 -0.006071 -0.024746 0.003456 0.019960 0.002055 34O 1f+1 0.010867 -0.003626 -0.001757 0.000359 0.006438 0.012471 34O 1f-1 0.002857 0.004351 0.001109 0.001671 0.003650 -0.000689 34O 1f+2 0.001349 0.004825 0.009280 -0.002048 -0.006119 -0.008944 34O 1f-2 0.019783 -0.005081 -0.013647 -0.006697 0.013696 0.012024 34O 1f+3 -0.000303 0.000532 0.004267 -0.014937 0.012264 0.013071 34O 1f-3 0.012296 0.001000 0.002109 -0.003764 0.006308 0.009426 35O 1s -0.004965 0.001237 0.000405 -0.010935 -0.007712 -0.023401 35O 2s -0.017965 0.006286 0.001717 -0.036051 -0.027122 -0.080940 35O 3s 0.214267 -0.052705 -0.033605 0.235707 0.205023 0.653869 35O 4s -0.862120 -0.004518 0.257850 -0.326818 -0.378432 -1.659494 35O 5s -1.279948 0.146364 -0.471749 0.945860 0.314252 0.716313 35O 1pz -0.122563 0.191851 -0.149835 0.058848 0.018759 -0.045215 35O 1px 0.196092 -0.006900 0.014842 -0.080050 -0.093377 -0.009596 35O 1py -0.001567 0.116359 0.024243 0.076259 0.076440 0.062958 35O 2pz 0.204682 -0.429872 0.315423 -0.182860 -0.059085 0.067447 35O 2px -0.786730 -0.038075 0.056617 0.221719 0.119181 -0.293690 35O 2py -0.188376 -0.212427 -0.056800 -0.155455 -0.202044 -0.276140 35O 3pz 0.111801 0.484142 -0.241777 0.309703 0.517766 -0.144699 35O 3px -0.451672 0.151173 -0.008746 0.324462 0.303448 0.073068 35O 3py -0.131683 0.455406 0.024212 0.351122 0.545288 0.055401 35O 1dz2 0.004286 -0.000938 -0.000962 -0.002119 -0.002388 0.001132 35O 1dxz 0.003630 -0.002197 -0.000863 -0.001513 -0.001346 -0.001640 35O 1dyz 0.002082 -0.010345 0.002262 -0.003739 -0.002496 0.003086 35O 1dx2y2 -0.004967 -0.004609 0.005290 0.002493 0.005612 -0.000643 35O 1dxy -0.006318 -0.002313 -0.005143 -0.002709 -0.000319 -0.006567 35O 2dz2 0.074246 -0.046940 0.018988 -0.049993 -0.037013 -0.009484 35O 2dxz 0.150191 -0.088678 0.065625 0.039073 0.042043 -0.038377 35O 2dyz 0.082352 -0.086740 0.028583 -0.016068 -0.027327 0.031488 35O 2dx2y2 -0.145791 0.043017 -0.004175 0.047811 0.032023 0.066242 35O 2dxy 0.001668 0.003307 -0.019127 0.034168 0.023233 -0.010229 35O 1f0 -0.002777 0.007333 -0.005897 0.012580 0.000593 -0.007914 35O 1f+1 0.003203 0.006404 -0.008209 -0.000255 0.005092 0.005316 35O 1f-1 -0.000738 0.000816 -0.005978 -0.000141 -0.002385 0.012676 35O 1f+2 0.017959 -0.016988 0.010414 -0.012055 0.002141 0.009235 35O 1f-2 -0.013573 0.004859 -0.004556 -0.007466 0.002395 0.001685 35O 1f+3 -0.005298 0.026970 -0.025421 -0.005600 -0.004570 0.002786 35O 1f-3 0.021627 -0.007839 0.008209 0.003705 0.007095 0.021015 504 505 506 507 508 509 3.14173 3.14496 3.14903 3.16813 3.18772 3.20002 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s -0.000067 -0.000149 -0.000535 0.001164 -0.000201 -0.002078 0Rh 2s 0.000490 0.001357 0.002449 -0.015623 0.005085 0.013955 0Rh 3s -0.000104 -0.000063 -0.001691 -0.002566 0.001892 -0.003877 0Rh 4s -0.002769 -0.007219 -0.013066 0.082533 -0.026560 -0.074537 0Rh 5s 0.007609 0.015297 0.018748 -0.186677 0.062290 0.140561 0Rh 6s -0.016128 -0.013115 0.021258 0.197659 -0.067611 -0.044897 0Rh 7s -0.047623 0.016703 -0.245110 -0.436149 -0.014035 -0.405999 0Rh 8s -0.141419 0.047918 0.079264 0.172458 0.010605 0.167675 0Rh 1pz -0.003116 0.002153 -0.001292 -0.001167 0.007108 0.003843 0Rh 1px 0.001946 0.000942 -0.002319 -0.004226 0.005510 -0.005199 0Rh 1py -0.002037 -0.002717 -0.004516 -0.003026 -0.003140 0.005499 0Rh 2pz 0.012022 -0.007817 0.004911 0.004406 -0.027267 -0.014622 0Rh 2px -0.007064 -0.003518 0.008657 0.015591 -0.021022 0.019670 0Rh 2py 0.007254 0.010730 0.016897 0.011567 0.011953 -0.021289 0Rh 3pz -0.027044 0.007350 -0.009643 -0.007844 0.060195 0.029655 0Rh 3px 0.006344 0.005558 -0.013208 -0.019528 0.042945 -0.035016 0Rh 3py -0.003580 -0.029479 -0.026991 -0.024783 -0.024562 0.051034 0Rh 4pz 0.020710 0.032245 0.003146 -0.001547 -0.054467 -0.016519 0Rh 4px 0.032563 0.004075 -0.014740 -0.045900 -0.020338 -0.013682 0Rh 4py -0.044649 0.043422 -0.019334 0.020049 0.016181 -0.059815 0Rh 5pz -0.011519 -0.085230 -0.003627 -0.001134 0.072832 0.002095 0Rh 5px -0.095665 -0.015826 0.060415 0.139653 -0.000079 0.101761 0Rh 5py 0.109397 -0.067854 0.058189 -0.023099 -0.016285 0.083233 0Rh 6pz -0.384432 0.422160 0.152184 0.497559 1.473584 1.053998 0Rh 6px 0.672365 0.145171 -0.316174 -0.068649 0.598180 -0.624450 0Rh 6py -0.465261 -0.153682 0.400373 -0.543505 -0.629367 1.790918 0Rh 1dz2 0.006750 0.015482 0.008473 -0.007168 0.021167 0.005804 0Rh 1dxz 0.001402 -0.013759 0.001869 -0.010431 -0.006754 -0.012562 0Rh 1dyz 0.002941 0.010449 0.019151 -0.006424 -0.008244 -0.005177 0Rh 1dx2y2 -0.011194 0.003302 0.011805 0.012843 -0.014982 0.007762 0Rh 1dxy 0.015136 -0.003871 0.010107 0.014912 0.007003 0.001798 0Rh 2dz2 0.000954 0.002040 0.000822 0.000154 0.002026 0.000759 0Rh 2dxz 0.000286 -0.002601 0.001200 0.000462 -0.001950 -0.000641 0Rh 2dyz -0.001162 -0.000161 0.000188 0.000386 -0.000738 -0.001166 0Rh 2dx2y2 -0.002924 0.000018 0.001157 -0.000346 0.000010 0.000316 0Rh 2dxy 0.002340 -0.001913 0.000829 0.001200 0.001774 -0.000630 0Rh 3dz2 -0.025851 -0.058585 -0.030524 0.022218 -0.077301 -0.022055 0Rh 3dxz -0.006020 0.055668 -0.011309 0.031462 0.030451 0.043710 0Rh 3dyz -0.004107 -0.032534 -0.061510 0.018862 0.029985 0.022115 0Rh 3dx2y2 0.049037 -0.010579 -0.042891 -0.039609 0.048221 -0.026716 0Rh 3dxy -0.058789 0.020894 -0.035781 -0.053276 -0.030534 -0.003094 0Rh 4dz2 0.023950 0.052000 0.019315 -0.009579 0.062891 0.018370 0Rh 4dxz 0.010337 -0.057415 0.018137 -0.012948 -0.034495 -0.033368 0Rh 4dyz -0.011978 0.013033 0.021464 -0.005050 -0.024871 -0.026033 0Rh 4dx2y2 -0.060417 0.004279 0.033443 0.018417 -0.026547 0.021573 0Rh 4dxy 0.054775 -0.030373 0.022209 0.040618 0.034152 -0.002726 0Rh 5dz2 -0.004853 -0.021456 0.090548 -0.009901 0.047307 0.021285 0Rh 5dxz -0.036498 0.031155 -0.022192 -0.022051 -0.063948 -0.030823 0Rh 5dyz 0.036448 0.007684 0.263424 -0.035577 -0.010989 0.003071 0Rh 5dx2y2 0.057342 0.024074 0.039946 0.001069 -0.035042 -0.011913 0Rh 5dxy -0.021668 0.001303 0.089645 0.041846 0.030352 -0.051591 0Rh 1f0 0.002912 -0.002688 0.018987 0.008543 0.030292 -0.026000 0Rh 1f+1 -0.022199 -0.001532 -0.003180 0.014747 -0.011819 0.005321 0Rh 1f-1 -0.013396 0.005956 0.037579 0.023684 -0.021857 -0.035008 0Rh 1f+2 0.008718 -0.003417 0.009782 -0.001378 0.039772 0.020967 0Rh 1f-2 -0.014130 -0.025628 -0.010643 0.011642 0.014538 -0.014826 0Rh 1f+3 -0.009461 0.016294 0.000664 0.009151 -0.034281 0.020509 0Rh 1f-3 -0.001671 -0.004433 0.034371 0.003356 0.009522 0.005213 1Rh 1s 0.000167 0.000235 -0.000566 0.001176 -0.000189 -0.001973 1Rh 2s -0.001616 -0.001856 0.002686 -0.015759 0.004998 0.013117 1Rh 3s 0.000010 0.000271 -0.001728 -0.002578 0.001912 -0.003765 1Rh 4s 0.008654 0.009871 -0.014336 0.083263 -0.026082 -0.070067 1Rh 5s -0.019529 -0.019810 0.021410 -0.188348 0.061200 0.131458 1Rh 6s 0.021572 0.012285 0.019007 0.199575 -0.066256 -0.038880 1Rh 7s 0.098883 0.017049 -0.250067 -0.434646 -0.007130 -0.401103 1Rh 8s 0.140345 -0.062324 0.075012 0.173555 0.030499 0.146322 1Rh 1pz -0.002663 0.002457 0.001131 0.001249 -0.007181 -0.004977 1Rh 1px 0.001890 0.000644 0.002081 0.004262 -0.005379 0.004969 1Rh 1py -0.001793 -0.002249 0.004922 0.003192 0.003169 -0.004918 1Rh 2pz 0.010363 -0.008950 -0.004354 -0.004734 0.027533 0.018876 1Rh 2px -0.006897 -0.002410 -0.007782 -0.015731 0.020538 -0.018772 1Rh 2py 0.006331 0.008964 -0.018442 -0.012187 -0.012076 0.018916 1Rh 3pz -0.025131 0.009079 0.009781 0.008830 -0.060531 -0.036663 1Rh 3px 0.006934 0.003961 0.012156 0.019889 -0.042340 0.032938 1Rh 3py -0.001900 -0.026398 0.030068 0.025744 0.025086 -0.043555 1Rh 4pz 0.025817 0.033835 -0.008411 -0.000245 0.053745 0.012742 1Rh 4px 0.028584 0.001719 0.012132 0.045571 0.021805 0.014813 1Rh 4py -0.044521 0.044536 0.018323 -0.019247 -0.017645 0.049444 1Rh 5pz -0.023681 -0.090160 0.015705 0.004753 -0.070605 0.012973 1Rh 5px -0.086984 -0.007301 -0.052915 -0.140564 -0.004681 -0.099819 1Rh 5py 0.108343 -0.072332 -0.059509 0.020313 0.019577 -0.069581 1Rh 6pz -0.425436 0.453813 -0.194963 -0.508649 -1.494224 -1.231593 1Rh 6px 0.614423 0.116879 0.270221 0.111281 -0.564659 0.542625 1Rh 6py -0.500951 -0.149509 -0.340843 0.568526 0.619621 -1.972867 1Rh 1dz2 -0.006498 -0.013611 0.010297 -0.007105 0.021245 0.007330 1Rh 1dxz -0.001836 0.013828 0.000172 -0.010898 -0.006621 -0.013498 1Rh 1dyz -0.002128 -0.007627 0.019309 -0.006633 -0.008478 -0.002762 1Rh 1dx2y2 0.012482 -0.002407 0.011492 0.012968 -0.015266 0.013231 1Rh 1dxy -0.014317 0.003307 0.010757 0.015805 0.007254 -0.015288 1Rh 2dz2 -0.000783 -0.001886 0.001117 0.000159 0.001994 0.000971 1Rh 2dxz -0.000089 0.002627 0.000897 0.000402 -0.001992 -0.000735 1Rh 2dyz 0.001195 0.000112 0.000026 0.000296 -0.000748 -0.001189 1Rh 2dx2y2 0.002732 0.000096 0.000959 -0.000370 0.000115 0.000770 1Rh 2dxy -0.002385 0.001814 0.000808 0.001316 0.001839 -0.001743 1Rh 3dz2 0.024299 0.051945 -0.037682 0.022000 -0.077394 -0.027889 1Rh 3dxz 0.006542 -0.056011 -0.004534 0.033231 0.030232 0.047154 1Rh 3dyz 0.001399 0.023810 -0.061281 0.019941 0.030784 0.014502 1Rh 3dx2y2 -0.052304 0.007225 -0.040984 -0.039913 0.048634 -0.046434 1Rh 3dxy 0.056380 -0.018605 -0.037775 -0.056667 -0.031642 0.057307 1Rh 4dz2 -0.021812 -0.047593 0.026307 -0.009549 0.062377 0.022138 1Rh 4dxz -0.008898 0.058021 0.011506 -0.014610 -0.035202 -0.036047 1Rh 4dyz 0.012907 -0.010709 0.019541 -0.006663 -0.025398 -0.025982 1Rh 4dx2y2 0.060434 -0.001702 0.029963 0.018517 -0.025103 0.036880 1Rh 4dxy -0.054167 0.027449 0.023168 0.043747 0.035600 -0.049835 1Rh 5dz2 0.013105 0.034305 0.085077 -0.009407 0.051198 0.061899 1Rh 5dxz 0.039479 -0.033583 -0.021097 -0.021854 -0.058058 -0.036066 1Rh 5dyz -0.020868 0.028318 0.261451 -0.035180 -0.011268 0.104447 1Rh 5dx2y2 -0.060663 -0.018508 0.047387 0.000604 -0.045088 0.006887 1Rh 5dxy 0.024845 0.006596 0.087569 0.040707 0.028232 -0.050742 1Rh 1f0 0.001537 -0.005381 -0.018391 -0.008401 -0.030272 0.020165 1Rh 1f+1 -0.023183 -0.000184 0.003922 -0.014510 0.011587 -0.000940 1Rh 1f-1 -0.017106 0.001927 -0.037278 -0.024157 0.021551 0.032436 1Rh 1f+2 0.010637 -0.002986 -0.009736 0.000577 -0.040302 -0.029087 1Rh 1f-2 -0.012817 -0.023171 0.013127 -0.011635 -0.015016 0.019102 1Rh 1f+3 -0.010496 0.016945 -0.001948 -0.009504 0.034411 -0.020720 1Rh 1f-3 -0.003281 -0.007362 -0.033651 -0.003757 -0.009346 -0.001188 2C 1s 0.009144 -0.000330 -0.018720 -0.005796 -0.000067 0.006345 2C 2s 0.027236 -0.001414 -0.056724 -0.018411 0.000770 0.020121 2C 3s -0.091313 0.039842 -0.065290 -0.020591 0.012514 -0.218705 2C 4s -0.273245 -0.142973 2.036517 0.509773 -0.057478 0.441553 2C 5s 0.427766 -0.478085 0.420716 0.637278 -0.555808 -0.499067 2C 1pz -0.008942 0.034650 -0.000972 -0.025200 -0.010684 -0.110171 2C 1px 0.029224 0.020644 0.010152 -0.028503 0.044252 0.066052 2C 1py -0.080380 -0.025860 0.037663 0.045585 -0.000524 -0.024740 2C 2pz 0.111200 -0.171162 0.600007 0.258125 0.207300 0.673133 2C 2px -0.352704 -0.190075 0.153034 0.253136 -0.318840 -0.379294 2C 2py 0.607096 0.100346 0.210211 -0.263317 -0.233987 0.165754 2C 3pz -0.032792 -0.141294 0.355604 0.344881 -0.259680 -0.183065 2C 3px -0.317306 -0.316744 0.285578 0.231544 0.021311 0.165360 2C 3py 0.337419 0.108387 0.120268 -0.134059 0.002122 -0.154284 2C 1dz2 0.139805 0.111813 -0.130929 -0.200322 0.034463 0.046037 2C 1dxz 0.033186 0.036464 -0.058742 -0.001125 -0.032642 -0.091210 2C 1dyz -0.089547 -0.130565 -0.051852 0.058137 0.010544 0.022697 2C 1dx2y2 0.273287 0.246074 -0.139903 -0.194532 0.039154 -0.055988 2C 1dxy 0.343470 0.267205 -0.210432 -0.252176 0.054349 -0.120892 2C 2dz2 -0.121016 -0.150898 0.322413 0.314618 0.082407 0.255191 2C 2dxz 0.062474 -0.069799 -0.085844 -0.157303 -0.027492 -0.184732 2C 2dyz 0.251980 0.131259 0.350563 0.030790 -0.108884 0.112167 2C 2dx2y2 -0.398315 -0.260600 0.180797 0.359630 -0.132094 -0.082055 2C 2dxy -0.534064 -0.286573 0.237370 0.351522 -0.083401 0.007771 2C 1f0 -0.014671 -0.078021 0.093588 0.067845 -0.002593 0.014742 2C 1f+1 -0.029001 -0.113522 0.066086 0.004133 -0.062837 -0.004087 2C 1f-1 -0.005359 0.026636 0.174747 0.076588 -0.039492 0.005306 2C 1f+2 -0.015667 -0.081298 -0.023862 0.019882 -0.046819 -0.000256 2C 1f-2 -0.059068 -0.063999 0.026631 0.017400 0.027789 -0.016465 2C 1f+3 0.009762 0.031218 0.004323 0.000472 0.046498 0.001187 2C 1f-3 0.019533 0.059132 0.019921 0.015665 0.033139 0.009720 3C 1s -0.000830 -0.009512 0.025870 -0.006951 0.005015 0.011567 3C 2s -0.001301 -0.028438 0.077243 -0.020457 0.016822 0.033239 3C 3s -0.070423 0.099223 0.006502 -0.156536 -0.122835 0.091363 3C 4s 0.365221 0.282309 -2.296378 1.277519 0.238837 -1.528037 3C 5s -0.226461 -0.431927 -0.771645 0.867103 -0.270903 -0.766111 3C 1pz -0.074605 0.086003 -0.036141 0.020644 -0.059124 0.023009 3C 1px -0.013541 0.024526 -0.031235 0.049711 0.052634 -0.017135 3C 1py -0.006209 -0.005467 0.015145 0.096328 0.055251 -0.017605 3C 2pz 0.463900 -0.719969 -0.123464 0.009807 0.538941 -0.459865 3C 2px -0.019437 -0.080176 -0.008526 -0.250161 -0.303786 0.200485 3C 2py 0.081078 0.009684 0.444195 -0.778754 -0.347036 0.547879 3C 3pz 0.281354 -0.456473 -0.075218 -0.218452 -0.019904 -0.263609 3C 3px 0.133924 0.151337 -0.233533 0.173165 0.064432 -0.165927 3C 3py 0.267206 -0.085166 0.554374 -0.463742 0.201204 0.290916 3C 1dz2 -0.454690 0.463589 -0.235411 0.482618 -0.056225 0.074615 3C 1dxz -0.059110 0.111756 -0.003042 0.031940 -0.057701 0.057182 3C 1dyz 0.066324 -0.034036 -0.096238 -0.001013 -0.054361 -0.080869 3C 1dx2y2 -0.045256 -0.117830 -0.065076 0.005812 -0.048284 -0.111728 3C 1dxy 0.203819 0.053496 -0.043391 -0.024352 0.053460 0.016496 3C 2dz2 0.570213 -0.659596 0.294425 -0.620557 0.180547 -0.077919 3C 2dxz 0.091568 -0.143907 0.032564 -0.018944 0.214955 -0.145494 3C 2dyz -0.085372 0.100610 0.305006 -0.277571 0.001532 0.207686 3C 2dx2y2 -0.019203 0.265495 0.150460 -0.157432 -0.229106 0.333448 3C 2dxy -0.189338 0.090384 0.030401 0.212516 0.064093 0.004854 3C 1f0 -0.015505 0.001458 0.070016 -0.034648 0.039754 0.049021 3C 1f+1 0.063269 -0.015479 -0.009010 -0.006850 -0.020289 -0.057002 3C 1f-1 -0.116662 0.076874 -0.041234 0.092431 0.016940 0.012858 3C 1f+2 0.040687 0.004054 0.106451 -0.044704 0.045167 0.037692 3C 1f-2 -0.092062 -0.041444 0.058284 -0.003209 -0.033653 0.079020 3C 1f+3 -0.048419 0.031808 -0.098031 0.062343 0.003475 -0.013372 3C 1f-3 0.071472 0.018821 0.095201 -0.078324 -0.019568 0.065927 4C 1s -0.001395 -0.001151 0.007951 0.001295 0.002322 -0.001799 4C 2s -0.003936 -0.001341 0.024551 0.003669 0.006226 -0.007009 4C 3s -0.038984 -0.223195 0.300252 0.279133 -0.135775 0.350712 4C 4s 0.098855 1.009206 -1.809990 -1.010330 0.323313 -1.299816 4C 5s -0.535636 1.259327 -1.341832 -0.686719 0.217179 0.127839 4C 1pz -0.018274 -0.023294 -0.083580 0.029316 -0.013479 0.014341 4C 1px -0.003766 0.021415 0.029548 0.046590 -0.039441 -0.045156 4C 1py 0.033561 0.000276 -0.047890 0.016999 -0.048236 -0.005982 4C 2pz 0.471024 0.396789 0.617491 -0.134804 0.245160 0.581979 4C 2px -0.065428 -0.065143 -0.464406 -0.306397 -0.431563 -1.070561 4C 2py 0.004108 0.027789 0.307376 -0.026103 0.040987 -0.060981 4C 3pz 0.198589 0.143063 0.161358 0.039976 -0.369050 -0.476473 4C 3px 0.579407 0.576623 -0.021758 0.057392 -0.349346 -0.537991 4C 3py -0.202423 0.137317 0.162519 0.514523 -0.437811 -0.361192 4C 1dz2 0.045194 0.071589 -0.035476 -0.092668 -0.092212 -0.079526 4C 1dxz 0.132559 0.196700 0.016564 -0.033545 0.040050 0.110809 4C 1dyz -0.022662 -0.083660 0.146302 0.079784 0.020497 0.054249 4C 1dx2y2 0.044560 0.016423 0.118534 -0.003392 -0.051239 0.127324 4C 1dxy 0.006494 -0.070271 0.169108 0.148111 -0.015081 0.108665 4C 2dz2 -0.013633 -0.091433 0.108453 0.319732 0.223406 0.668530 4C 2dxz -0.444014 -0.451129 -0.390656 0.101989 -0.331562 -0.914143 4C 2dyz 0.166263 0.339299 -0.697220 -0.273850 0.109505 -0.144867 4C 2dx2y2 -0.198799 -0.014112 -0.180122 -0.096092 0.229528 -0.378608 4C 2dxy -0.027013 0.035834 -0.640227 -0.521183 -0.445671 -0.925730 4C 1f0 0.022134 -0.046739 0.097202 -0.033987 -0.143077 0.054716 4C 1f+1 0.069113 -0.005554 0.076506 0.045338 0.043474 -0.000543 4C 1f-1 -0.026603 0.050181 0.243801 0.141151 0.021307 -0.041359 4C 1f+2 0.132980 0.075081 -0.125994 -0.092497 0.052188 -0.018740 4C 1f-2 0.011831 0.015147 0.031910 -0.015796 -0.079375 -0.046218 4C 1f+3 0.064054 0.033013 0.078054 -0.011927 -0.110089 0.042982 4C 1f-3 -0.035738 -0.010653 0.117377 0.103814 0.014572 0.125150 5C 1s -0.003433 0.001915 -0.008008 -0.000785 -0.001066 -0.000890 5C 2s -0.009106 0.005009 -0.025243 -0.003513 -0.004529 -0.002994 5C 3s -0.145443 0.083814 -0.130078 0.426090 -0.069776 0.055366 5C 4s 0.837984 -0.345749 1.116714 -1.561724 0.160162 0.060280 5C 5s 1.306734 0.211065 1.303993 -0.749515 0.487734 0.339321 5C 1pz -0.008371 -0.028435 0.085971 -0.009388 -0.000647 0.052068 5C 1px -0.014947 -0.019616 0.015776 -0.011675 -0.084209 0.047864 5C 1py 0.042292 -0.022533 -0.108880 -0.010704 0.036086 -0.077845 5C 2pz 0.233528 -0.094897 -0.632276 0.549745 0.500412 -0.767981 5C 2px 0.016285 -0.003311 0.215663 -0.604960 -0.475588 0.154782 5C 2py -0.716014 0.547017 0.667246 -0.311495 -0.658131 1.069257 5C 3pz 0.097986 0.372833 -0.481020 0.679540 -0.026049 -0.388259 5C 3px -0.142713 -0.557812 -0.107216 -0.109273 -0.664753 -0.132237 5C 3py -0.606147 0.399340 0.563202 -0.222738 0.054352 0.754417 5C 1dz2 0.001605 0.075694 0.115082 -0.053875 0.026325 -0.018424 5C 1dxz -0.077971 -0.023926 -0.053709 0.035411 0.011105 -0.147169 5C 1dyz 0.164216 -0.092900 0.086496 -0.085558 0.047532 -0.037407 5C 1dx2y2 -0.162554 0.078137 -0.096956 0.153625 -0.032682 0.019227 5C 1dxy -0.077449 0.074797 0.038155 -0.081294 -0.045344 0.066992 5C 2dz2 0.111927 -0.165856 -0.295759 0.352078 0.095400 -0.176588 5C 2dxz -0.010553 -0.059953 0.370358 -0.468281 -0.373515 0.726827 5C 2dyz -0.491273 0.390688 -0.396401 0.228894 -0.346091 0.103262 5C 2dx2y2 0.365472 -0.123684 0.082841 -0.656114 -0.039697 -0.137967 5C 2dxy 0.191202 -0.223153 -0.578829 0.674342 0.655513 -0.528120 5C 1f0 -0.024213 0.043262 0.179338 -0.075639 -0.021940 0.066877 5C 1f+1 -0.081547 0.047900 -0.024550 0.079452 -0.005220 0.105241 5C 1f-1 0.011030 -0.092106 0.055058 -0.079350 0.050810 0.080544 5C 1f+2 -0.005063 -0.085552 0.149135 -0.061985 0.084835 0.098230 5C 1f-2 0.062339 -0.075949 0.098092 -0.049329 0.048530 -0.053119 5C 1f+3 0.009010 -0.040706 -0.169303 0.089779 -0.101278 -0.143404 5C 1f-3 0.031897 -0.001635 0.091154 -0.052938 0.000260 -0.066784 6C 1s 0.002511 -0.002702 -0.007994 -0.000869 -0.001110 0.000068 6C 2s 0.006456 -0.007366 -0.025121 -0.003719 -0.004710 -0.000323 6C 3s 0.174584 -0.124531 -0.139061 0.418220 -0.071167 0.309086 6C 4s -0.893733 0.577354 1.172371 -1.516428 0.170585 -1.410581 6C 5s -1.355489 -0.058352 1.448054 -0.699146 0.482677 -0.255180 6C 1pz -0.012539 -0.037427 -0.081921 0.009219 -0.000211 0.014340 6C 1px -0.016741 -0.021228 -0.013652 0.011993 0.084606 -0.022934 6C 1py 0.045847 -0.010375 0.109178 0.010815 -0.035094 -0.037157 6C 2pz 0.237865 -0.001344 0.625286 -0.543755 -0.484109 -0.328995 6C 2px 0.024181 -0.058534 -0.225739 0.589678 0.466388 -0.276184 6C 2py -0.707775 0.434158 -0.686070 0.313930 0.636255 0.552247 6C 3pz 0.047932 0.401755 0.433498 -0.682381 0.032998 -0.124671 6C 3px -0.193163 -0.629556 0.136568 0.111115 0.675288 0.144354 6C 3py -0.501390 0.354756 -0.566818 0.237037 -0.077385 -0.137071 6C 1dz2 -0.011333 -0.061760 0.124705 -0.052687 0.026482 -0.085560 6C 1dxz 0.072452 0.033137 -0.054822 0.035160 0.008980 -0.065959 6C 1dyz -0.153112 0.107797 0.086016 -0.081639 0.047543 -0.085448 6C 1dx2y2 0.161565 -0.088519 -0.098127 0.149804 -0.033119 -0.032189 6C 1dxy 0.072919 -0.060490 0.043360 -0.080134 -0.040317 -0.033493 6C 2dz2 -0.091037 0.104795 -0.318726 0.344985 0.086870 0.052038 6C 2dxz 0.028190 0.098366 0.355171 -0.457754 -0.357188 0.206392 6C 2dyz 0.462742 -0.440609 -0.383248 0.219080 -0.344582 0.441220 6C 2dx2y2 -0.377749 0.144992 0.093954 -0.642867 -0.034287 0.210060 6C 2dxy -0.182177 0.118574 -0.596960 0.660528 0.636935 0.272830 6C 1f0 -0.014883 0.030285 -0.179322 0.074035 0.018966 0.141129 6C 1f+1 -0.078760 0.052544 0.024127 -0.078151 0.004743 -0.051297 6C 1f-1 0.006997 -0.098317 -0.045836 0.078710 -0.052194 -0.060567 6C 1f+2 -0.006697 -0.102274 -0.140206 0.063562 -0.087894 -0.001812 6C 1f-2 0.062209 -0.083178 -0.093445 0.048991 -0.048657 0.108973 6C 1f+3 0.008082 -0.022220 0.172549 -0.086279 0.105675 0.057530 6C 1f-3 0.034174 -0.020328 -0.095522 0.052637 -0.000126 0.103063 7C 1s 0.001364 0.001893 0.007770 0.001330 0.002263 -0.003286 7C 2s 0.004068 0.003534 0.024241 0.003845 0.006026 -0.010821 7C 3s 0.085416 0.259049 0.274488 0.274447 -0.132945 0.098489 7C 4s -0.280579 -1.216023 -1.698846 -0.990832 0.322576 0.067751 7C 5s 0.362325 -1.433054 -1.227393 -0.705626 0.223847 0.801720 7C 1pz -0.011600 -0.005603 0.086957 -0.031314 0.013390 -0.076092 7C 1px -0.007618 0.021121 -0.031541 -0.047039 0.039835 0.049793 7C 1py 0.034697 0.012942 0.044932 -0.019863 0.049609 -0.047416 7C 2pz 0.387471 0.257855 -0.684123 0.151530 -0.249353 0.377073 7C 2px 0.004037 0.017403 0.470787 0.288274 0.424513 0.736350 7C 2py -0.012010 -0.048410 -0.302582 0.039039 -0.051722 0.540227 7C 3pz 0.053085 0.050936 -0.198896 -0.052908 0.340966 0.614569 7C 3px 0.534802 0.660817 -0.060174 -0.094535 0.370321 0.314147 7C 3py -0.298377 0.077017 -0.145455 -0.516844 0.421664 0.422330 7C 1dz2 -0.049653 -0.077989 -0.024968 -0.091766 -0.092799 -0.073634 7C 1dxz -0.118736 -0.203695 0.046670 -0.031361 0.035250 0.020594 7C 1dyz 0.024137 0.091754 0.137508 0.079154 0.020538 -0.023108 7C 1dx2y2 -0.027092 -0.011837 0.124513 -0.003627 -0.051827 0.097272 7C 1dxy 0.015236 0.091259 0.159701 0.148867 -0.018213 0.052858 7C 2dz2 0.039929 0.108672 0.090870 0.317021 0.218306 0.691354 7C 2dxz 0.373221 0.388622 -0.465508 0.112821 -0.315423 -0.408323 7C 2dyz -0.194016 -0.417696 -0.653013 -0.261461 0.108095 0.242555 7C 2dx2y2 0.158611 0.033865 -0.199076 -0.108552 0.235874 -0.423140 7C 2dxy -0.057343 -0.126723 -0.630341 -0.510364 -0.438601 -0.421038 7C 1f0 0.015392 -0.053147 -0.095828 0.031290 0.144795 -0.085048 7C 1f+1 0.058522 -0.010703 -0.078574 -0.046659 -0.042586 0.031920 7C 1f-1 -0.058422 0.021375 -0.248678 -0.140262 -0.021488 0.193531 7C 1f+2 0.139165 0.089907 0.112461 0.092540 -0.050132 -0.030796 7C 1f-2 0.009525 0.007750 -0.031698 0.016339 0.079969 0.062431 7C 1f+3 0.052410 0.019687 -0.080733 0.013113 0.113450 -0.012015 7C 1f-3 -0.045725 -0.021418 -0.112669 -0.103029 -0.014580 -0.088183 8C 1s 0.000813 0.011627 0.024742 -0.006900 0.005235 -0.003062 8C 2s 0.001319 0.034698 0.073885 -0.020289 0.017514 -0.009097 8C 3s 0.060596 -0.079104 0.016611 -0.155798 -0.120744 -0.182499 8C 4s -0.339921 -0.574353 -2.253566 1.264854 0.205437 1.316392 8C 5s 0.359977 0.372439 -0.841315 0.855521 -0.281988 -0.112637 8C 1pz -0.070632 0.082977 0.028828 -0.020149 0.058730 -0.000014 8C 1px -0.010761 0.027943 0.028921 -0.047434 -0.051861 0.010305 8C 1py -0.010604 -0.002202 -0.013574 -0.095387 -0.055272 -0.047645 8C 2pz 0.437679 -0.660575 0.187008 -0.005682 -0.530832 -0.380362 8C 2px -0.021551 -0.065037 0.021010 0.236765 0.301020 -0.403379 8C 2py 0.075058 -0.087761 -0.452474 0.763178 0.333034 0.608549 8C 3pz 0.250077 -0.445839 0.110565 0.215257 0.026898 0.117075 8C 3px 0.121654 0.210916 0.228386 -0.177507 -0.058443 -0.036554 8C 3py 0.297417 -0.115157 -0.554647 0.454194 -0.206014 0.151729 8C 1dz2 0.437897 -0.479046 -0.202333 0.474722 -0.056300 0.175771 8C 1dxz 0.048146 -0.111654 0.006240 0.027827 -0.056615 0.014138 8C 1dyz -0.061664 0.028500 -0.094543 -0.001366 -0.056426 0.029278 8C 1dx2y2 0.052941 0.129874 -0.074354 0.004045 -0.048997 -0.043180 8C 1dxy -0.205127 -0.084435 -0.035457 -0.019860 0.050357 0.055360 8C 2dz2 -0.547613 0.675637 0.245052 -0.610006 0.183774 -0.212245 8C 2dxz -0.082580 0.141817 0.021155 -0.017162 0.212138 0.035941 8C 2dyz 0.075760 -0.049761 0.311522 -0.272742 0.012184 -0.308816 8C 2dx2y2 0.016259 -0.246755 0.174770 -0.151887 -0.224033 -0.080800 8C 2dxy 0.193082 -0.063362 0.037568 0.205736 0.062665 -0.192130 8C 1f0 -0.019888 -0.009813 -0.068285 0.033496 -0.042657 0.021794 8C 1f+1 0.063218 -0.012549 0.007554 0.006885 0.021874 0.053684 8C 1f-1 -0.113647 0.081196 0.038408 -0.089217 -0.017010 -0.018043 8C 1f+2 0.042026 -0.002609 -0.107491 0.043892 -0.046883 0.041747 8C 1f-2 -0.093762 -0.054201 -0.052809 0.004507 0.031874 0.007774 8C 1f+3 -0.045215 0.044182 0.095912 -0.061043 -0.003451 -0.119397 8C 1f-3 0.071324 0.012552 -0.098356 0.075658 0.017565 0.063289 9C 1s -0.011311 -0.002987 -0.018228 -0.005402 -0.000216 0.015560 9C 2s -0.033705 -0.008257 -0.055335 -0.017343 0.000381 0.046786 9C 3s 0.078479 -0.057327 -0.065116 -0.017991 0.009398 -0.042810 9C 4s 0.500866 0.506355 2.002856 0.464219 -0.036116 -1.315207 9C 5s -0.229929 0.595163 0.384862 0.661007 -0.524673 -0.664249 9C 1pz -0.006106 0.042684 -0.004884 0.022550 0.012547 0.067744 9C 1px 0.028942 0.016826 -0.013570 0.030169 -0.043230 -0.049880 9C 1py -0.077500 -0.031519 -0.027893 -0.042994 0.000759 0.012428 9C 2pz 0.069081 -0.281208 -0.570445 -0.234797 -0.215635 0.148804 9C 2px -0.348527 -0.171708 -0.121045 -0.265391 0.304798 0.291452 9C 2py 0.566886 0.086261 -0.276460 0.246062 0.239900 0.164954 9C 3pz -0.104824 -0.214740 -0.320078 -0.343474 0.251511 0.372017 9C 3px -0.342118 -0.370842 -0.244431 -0.225301 -0.026661 -0.026267 9C 3py 0.281903 0.093869 -0.170691 0.117224 -0.002111 0.289672 9C 1dz2 -0.147726 -0.148489 -0.091549 -0.193545 0.032685 0.075294 9C 1dxz -0.035928 -0.041397 -0.059411 -0.001160 -0.035069 -0.066892 9C 1dyz 0.071722 0.135686 -0.082487 0.053477 0.010411 0.104707 9C 1dx2y2 -0.259445 -0.253864 -0.099135 -0.182645 0.033021 -0.085089 9C 1dxy -0.348171 -0.311077 -0.160076 -0.244768 0.050119 -0.108430 9C 2dz2 0.143048 0.220843 0.274770 0.301698 0.085118 -0.032816 9C 2dxz -0.082752 0.056465 -0.083929 -0.155209 -0.021757 -0.151160 9C 2dyz -0.208603 -0.117144 0.395960 0.039429 -0.110550 -0.207330 9C 2dx2y2 0.388654 0.252366 0.135103 0.351428 -0.126177 0.045359 9C 2dxy 0.534145 0.335218 0.168515 0.342722 -0.077405 -0.060866 9C 1f0 -0.021023 -0.090540 -0.080131 -0.066063 0.002879 -0.000177 9C 1f+1 -0.027599 -0.130268 -0.051328 -0.000674 0.062585 0.010727 9C 1f-1 -0.018527 0.010973 -0.177081 -0.078068 0.041369 0.084692 9C 1f+2 -0.007053 -0.077572 0.037674 -0.018642 0.047262 -0.093102 9C 1f-2 -0.057770 -0.075952 -0.016897 -0.013597 -0.029936 0.036801 9C 1f+3 0.011804 0.033421 -0.009219 0.000124 -0.046236 0.041439 9C 1f-3 0.014916 0.059738 -0.027391 -0.014937 -0.034525 0.037101 10H 1s -0.003806 -0.024571 0.017184 -0.037477 0.021230 0.051733 10H 2s 0.478867 0.159839 -0.644683 -0.398809 0.205106 0.119301 10H 3s 0.016013 0.135324 0.033271 -0.065792 -0.056433 -0.091314 10H 1pz 0.098509 -0.005078 -0.117106 -0.079873 0.041239 0.085842 10H 1px -0.133043 -0.010342 0.261589 0.104028 -0.020219 0.013954 10H 1py 0.105189 0.036813 -0.060558 -0.060712 0.073895 0.019277 11H 1s -0.050240 0.005588 0.046693 0.051306 -0.041938 0.027410 11H 2s -0.188953 -0.078287 -0.167368 0.209237 0.054657 0.109463 11H 3s -0.184273 -0.094347 0.213727 0.102869 -0.093921 0.030549 11H 1pz -0.072327 0.023337 -0.064781 0.060010 0.029931 -0.003493 11H 1px 0.025629 -0.004723 -0.104447 0.004906 0.035380 0.031908 11H 1py -0.106574 0.019951 0.160282 0.098794 -0.012799 -0.083676 12H 1s 0.040955 0.005169 0.014776 0.011384 0.024308 -0.056213 12H 2s 0.423791 0.103938 -0.357804 -0.228939 -0.253861 0.003581 12H 3s -0.009051 0.084559 0.112061 -0.063827 0.152794 -0.031577 12H 1pz 0.007692 0.021657 0.126542 0.026410 -0.081781 -0.122965 12H 1px 0.015824 -0.017402 -0.011703 0.047163 -0.066997 0.024364 12H 1py 0.166102 0.005900 -0.186703 -0.111350 -0.089405 0.000426 13H 1s 0.008507 0.013132 -0.030185 0.028212 0.082547 -0.001811 13H 2s 0.111523 -0.487982 0.678253 -0.272491 0.369929 -0.003923 13H 3s 0.042338 -0.043317 -0.089360 -0.110882 -0.041385 -0.013001 13H 1pz 0.048485 -0.162353 0.226175 -0.118293 0.084403 0.004172 13H 1px 0.042475 0.072888 -0.254044 0.088065 -0.026138 -0.107957 13H 1py -0.011547 0.052006 -0.050001 -0.045896 -0.135094 0.033386 14H 1s 0.017722 -0.036779 -0.031385 -0.033676 -0.055639 -0.063207 14H 2s 0.115870 -0.476208 0.626872 -0.496456 0.045999 0.426674 14H 3s 0.165008 0.049240 -0.111999 -0.059910 -0.026024 -0.143421 14H 1pz 0.004104 -0.138349 0.189250 -0.161399 0.050797 0.108650 14H 1px -0.046887 -0.121883 0.240527 -0.094723 0.009015 0.171822 14H 1py 0.015274 0.022494 0.121415 0.037915 0.118124 0.008522 15H 1s -0.001014 0.039332 -0.048737 0.075728 -0.013629 -0.014484 15H 2s -0.317873 0.195633 0.427749 0.067903 -0.158603 0.379774 15H 3s -0.118727 0.180822 -0.259253 0.128043 -0.045648 -0.025528 15H 1pz 0.007917 0.105613 -0.264068 0.080319 -0.079411 -0.119527 15H 1px 0.008501 0.037007 0.011013 -0.008929 -0.053431 0.000542 15H 1py 0.092022 -0.058530 -0.170683 0.023462 0.077003 -0.135513 16H 1s -0.009980 -0.006750 -0.004389 -0.013897 0.006699 0.064814 16H 2s 0.208425 -0.075330 -0.166197 -0.228250 0.067064 -0.591775 16H 3s -0.018448 -0.008060 -0.000334 0.003092 0.063354 0.066968 16H 1pz 0.078994 -0.033086 -0.067581 -0.100238 0.032058 -0.183002 16H 1px 0.010007 0.004431 -0.007383 -0.009525 -0.002400 -0.010845 16H 1py 0.001249 -0.007265 -0.011592 -0.011945 0.001868 -0.036369 17H 1s 0.001937 -0.010461 0.013664 -0.013908 -0.018012 0.053586 17H 2s 0.256186 0.064955 -0.175982 -0.213255 0.230338 -0.448038 17H 3s -0.007042 -0.010262 0.022497 -0.019463 -0.094431 -0.001231 17H 1pz -0.071917 -0.002375 0.050665 0.070632 -0.072188 0.107849 17H 1px -0.064295 -0.020086 0.032005 0.065305 -0.020747 0.082423 17H 1py 0.029523 0.015450 -0.013776 -0.031313 0.028731 -0.026729 18H 1s 0.000340 0.011280 0.011858 -0.014039 -0.016159 0.060382 18H 2s -0.280353 -0.040730 -0.155284 -0.226932 0.199563 -0.464903 18H 3s 0.006106 0.010811 0.022480 -0.015520 -0.095730 0.002516 18H 1pz -0.079706 0.004401 -0.047604 -0.075941 0.066476 -0.113908 18H 1px -0.069584 -0.012778 -0.026454 -0.068237 0.011341 -0.082634 18H 1py 0.029747 0.011516 0.009434 0.030929 -0.023070 0.028089 19H 1s 0.011753 0.005933 -0.005716 -0.013977 0.008813 0.061256 19H 2s -0.240788 0.097973 -0.164899 -0.247190 0.039189 -0.573005 19H 3s 0.016412 0.008017 -0.001535 0.004030 0.061317 0.071259 19H 1pz 0.090584 -0.041503 0.067376 0.107903 -0.021940 0.170850 19H 1px 0.009399 0.004913 0.006192 0.007989 0.000006 0.017739 19H 1py 0.006405 -0.008976 0.014030 0.016100 -0.000417 0.038103 20H 1s 0.006621 -0.042322 -0.044244 0.075414 -0.013961 0.051406 20H 2s 0.294114 -0.155785 0.437907 0.065278 -0.158417 -0.057317 20H 3s 0.112572 -0.197242 -0.244567 0.124767 -0.045360 0.148541 20H 1pz 0.006044 0.123520 0.250899 -0.079925 0.082280 -0.039915 20H 1px 0.010437 0.037560 -0.016200 0.007993 0.054434 0.031195 20H 1py 0.081899 -0.040041 0.173689 -0.024025 -0.076885 -0.058876 21H 1s -0.016717 0.033784 -0.034781 -0.032366 -0.055916 -0.039649 21H 2s -0.115882 0.520731 0.577755 -0.486703 0.050836 0.065265 21H 3s -0.167573 -0.073689 -0.102892 -0.057726 -0.031045 -0.060322 21H 1pz 0.005951 -0.156988 -0.175578 0.160187 -0.053394 0.001178 21H 1px -0.046702 -0.140630 -0.223444 0.092713 -0.011124 -0.029042 21H 1py 0.018322 0.014764 -0.123365 -0.036422 -0.118911 0.053590 22H 1s -0.010610 -0.019774 -0.029234 0.026661 0.082231 0.028431 22H 2s -0.113094 0.553906 0.633732 -0.277360 0.374201 -0.231654 22H 3s -0.044600 0.048145 -0.084413 -0.109091 -0.043482 0.048837 22H 1pz 0.051351 -0.179037 -0.208863 0.118520 -0.084685 0.101593 22H 1px 0.041419 0.100918 0.244980 -0.089300 0.029405 -0.032189 22H 1py -0.010694 0.055752 0.046516 0.042366 0.134862 0.001574 23H 1s -0.034497 -0.006560 0.020444 0.013709 0.024349 -0.068479 23H 2s -0.465838 -0.218606 -0.300899 -0.198596 -0.265409 0.345585 23H 3s 0.019284 -0.074214 0.130137 -0.064639 0.150120 -0.157242 23H 1pz -0.008545 0.014085 -0.133566 -0.030374 0.082685 0.128348 23H 1px 0.015598 -0.005033 0.008693 -0.051507 0.067997 -0.071045 23H 1py 0.192286 0.053388 0.171243 0.099772 0.095075 -0.168314 24H 1s 0.058849 0.005126 0.042287 0.049017 -0.041511 -0.018760 24H 2s 0.136806 0.015045 -0.193290 0.213889 0.054428 0.279583 24H 3s 0.197376 0.134154 0.189369 0.095730 -0.095623 -0.070138 24H 1pz -0.054546 0.046176 0.069613 -0.061409 -0.030239 -0.043840 24H 1px 0.042714 0.024879 0.101948 -0.008679 -0.034174 -0.091882 24H 1py -0.126651 -0.002909 -0.156391 -0.097801 0.011821 0.174482 25H 1s 0.002417 0.035086 0.012748 -0.040656 0.023040 0.037226 25H 2s -0.549551 -0.240458 -0.612131 -0.394280 0.194738 0.276398 25H 3s -0.012064 -0.130269 0.043840 -0.065725 -0.057269 -0.118808 25H 1pz 0.114122 0.002822 0.118344 0.082102 -0.038725 -0.098707 25H 1px -0.164684 -0.055120 -0.252906 -0.099431 0.017590 0.101256 25H 1py 0.107138 0.044093 0.046907 0.058583 -0.072787 -0.016286 26O 1s 0.008240 0.003286 0.015075 0.022497 -0.026831 -0.022143 26O 2s 0.028888 0.012417 0.052450 0.078937 -0.093176 -0.076566 26O 3s -0.221315 -0.100796 -0.470967 -0.645884 0.677002 0.483675 26O 4s 0.518696 0.269184 1.327728 1.537044 -1.125758 -0.268358 26O 5s -0.633186 -1.068364 0.319412 -0.394699 1.749631 2.816032 26O 1pz 0.070789 0.090431 -0.156642 -0.074302 0.059830 -0.024631 26O 1px -0.110372 -0.098569 0.170284 0.018660 0.206930 0.315997 26O 1py 0.100699 0.021419 -0.037679 -0.100442 0.024284 0.086707 26O 2pz -0.086972 -0.146307 0.279710 0.070430 -0.140619 0.018886 26O 2px 0.191374 0.202661 -0.726091 -0.371756 -0.496537 -1.107690 26O 2py -0.219932 -0.040148 -0.097273 0.088266 -0.003153 -0.396976 26O 3pz -0.131363 0.152499 -0.076018 -0.035270 0.226122 0.533394 26O 3px -0.236506 0.221568 0.086411 0.111406 -0.000442 0.153865 26O 3py 0.041329 0.222715 -0.098599 0.006247 0.315659 0.227375 26O 1dz2 -0.000496 0.007061 -0.007085 -0.002318 0.003727 -0.005947 26O 1dxz -0.001180 -0.003608 -0.003999 0.001185 -0.002877 0.006949 26O 1dyz -0.000594 -0.004156 -0.004729 -0.002558 -0.002140 0.003689 26O 1dx2y2 -0.000778 -0.005951 0.008988 0.000316 0.002722 0.004788 26O 1dxy 0.002600 -0.001232 0.001380 -0.000385 0.009364 0.004196 26O 2dz2 0.014651 0.053123 -0.075550 -0.014975 -0.028614 -0.065264 26O 2dxz 0.058582 0.081019 -0.121326 0.002913 0.048070 -0.032513 26O 2dyz 0.029780 -0.008122 -0.090317 -0.008971 0.002977 -0.042916 26O 2dx2y2 -0.088724 -0.054942 0.081783 0.032544 0.153936 0.096837 26O 2dxy 0.040450 -0.009932 -0.006115 -0.059026 -0.050956 0.051165 26O 1f0 -0.013003 -0.017883 0.003262 0.004893 -0.012475 -0.001046 26O 1f+1 0.004778 0.007738 0.002008 0.003160 0.000943 0.010671 26O 1f-1 0.008032 0.014895 0.004603 -0.000897 -0.001670 -0.002470 26O 1f+2 0.006786 0.015477 0.004619 -0.001633 0.002653 0.012978 26O 1f-2 0.018887 0.014262 -0.008982 -0.011820 0.001087 -0.005757 26O 1f+3 0.002313 -0.005070 0.011328 0.015057 -0.004230 0.001139 26O 1f-3 0.004571 0.001017 0.020026 0.014813 -0.002198 0.012212 27O 1s 0.004365 -0.006987 -0.007985 -0.000099 -0.044597 0.019517 27O 2s 0.016607 -0.024474 -0.027594 0.000307 -0.154856 0.067552 27O 3s -0.116809 0.181568 0.261667 -0.080848 1.145757 -0.490728 27O 4s 0.147765 -0.411510 -0.789681 0.652183 -2.030773 0.820551 27O 5s -0.767281 0.928387 -0.166751 1.156596 2.594825 -0.824295 27O 1pz 0.032558 -0.177807 0.092591 -0.168821 -0.005657 0.009566 27O 1px -0.099897 0.087710 -0.158505 0.151965 0.280376 -0.137756 27O 1py 0.021444 0.085940 -0.122960 0.024094 -0.091453 0.062254 27O 2pz -0.071275 0.350212 -0.213581 0.370586 -0.005640 -0.100503 27O 2px 0.275925 -0.174229 0.554419 -0.734266 -0.572239 0.279813 27O 2py -0.103787 -0.112009 0.199491 0.061050 0.129741 -0.117641 27O 3pz -0.015239 -0.166963 0.098048 -0.100487 0.184770 -0.290124 27O 3px 0.200432 -0.012241 -0.031004 0.051213 0.157095 -0.277041 27O 3py 0.141057 -0.084415 -0.231346 -0.179656 -0.458313 0.082610 27O 1dz2 0.002207 0.000124 -0.000049 -0.003329 0.000318 0.005901 27O 1dxz 0.006888 -0.002615 0.008141 -0.003464 -0.003323 -0.002168 27O 1dyz 0.003944 0.000132 -0.002055 0.001393 -0.003947 0.001502 27O 1dx2y2 -0.007507 0.002313 -0.011075 0.005938 0.003061 0.000168 27O 1dxy 0.005438 0.000675 -0.005158 -0.002060 -0.005243 -0.003924 27O 2dz2 0.006975 -0.013927 -0.011994 -0.014801 -0.055344 0.001575 27O 2dxz 0.057378 -0.118467 0.068285 -0.078009 -0.000373 0.060356 27O 2dyz 0.041474 0.007974 -0.040961 0.022280 -0.005149 -0.025727 27O 2dx2y2 -0.072033 0.063953 -0.113602 0.074520 0.099790 -0.003667 27O 2dxy -0.051268 0.064386 -0.097689 0.015882 0.011670 0.071983 27O 1f0 0.006307 0.008554 0.013854 -0.003409 0.002355 0.011887 27O 1f+1 -0.004670 -0.002796 -0.011576 0.014844 -0.009610 0.000822 27O 1f-1 0.004393 -0.004194 0.005199 -0.004817 0.006915 0.004742 27O 1f+2 -0.007997 -0.000177 -0.005680 0.009360 0.005813 -0.010780 27O 1f-2 0.009877 0.008684 -0.005108 0.009365 0.003084 -0.001569 27O 1f+3 0.015494 -0.014535 0.000924 0.004000 -0.002049 -0.002780 27O 1f-3 0.025411 -0.018381 0.006036 -0.008028 0.010724 -0.021555 28O 1s 0.000729 -0.000268 0.005035 0.001897 0.014494 0.037033 28O 2s 0.003042 0.000623 0.015887 0.006705 0.050136 0.126891 28O 3s 0.005163 0.015684 -0.115333 -0.067843 -0.338052 -0.889207 28O 4s -0.212961 -0.238174 0.074229 0.141357 0.372703 1.241085 28O 5s -0.176835 -0.581317 0.029360 0.319381 -1.248643 -2.386378 28O 1pz -0.029663 -0.094926 0.011965 -0.018123 -0.099735 -0.118519 28O 1px 0.113116 0.069231 -0.083267 -0.015049 0.118127 0.326298 28O 1py 0.027025 0.010315 -0.018723 -0.045161 0.082864 0.068886 28O 2pz 0.176562 0.311839 -0.031058 -0.055460 0.348032 0.324330 28O 2px -0.313722 -0.261370 0.108847 0.081558 -0.370223 -0.865349 28O 2py -0.029052 -0.001414 0.025865 0.032472 -0.184913 -0.128718 28O 3pz -0.370213 -0.108057 -0.264751 -0.026014 -0.098295 -0.520086 28O 3px -0.104450 -0.318444 -0.035956 0.079342 0.046073 0.002696 28O 3py -0.040616 -0.055846 -0.120182 -0.252311 -0.172314 -0.183181 28O 1dz2 0.006260 0.000662 -0.007561 -0.002430 -0.001448 0.003634 28O 1dxz 0.000546 0.008369 -0.003561 -0.001158 -0.002097 0.005730 28O 1dyz 0.000076 -0.003667 -0.001126 0.001642 -0.003171 0.004313 28O 1dx2y2 -0.008013 -0.007816 0.009191 0.000551 -0.008453 -0.002981 28O 1dxy -0.004189 -0.002925 0.004993 0.003306 0.005582 -0.004603 28O 2dz2 0.059654 0.040276 -0.039877 -0.008564 -0.048156 0.104578 28O 2dxz -0.000078 0.024335 -0.054278 -0.040190 0.073839 0.086022 28O 2dyz -0.001823 -0.006838 -0.012152 0.053000 0.069429 0.091032 28O 2dx2y2 -0.039835 -0.033541 0.049943 0.019152 -0.020066 -0.132047 28O 2dxy -0.022767 -0.073994 0.047794 -0.018068 -0.090126 -0.007183 28O 1f0 -0.001412 0.001785 -0.010259 -0.000565 0.005804 -0.005296 28O 1f+1 -0.009620 -0.012200 0.010291 0.015094 0.011456 0.015443 28O 1f-1 -0.003819 -0.002484 -0.001329 -0.007340 0.006290 0.007247 28O 1f+2 0.002149 0.005302 0.002140 0.002595 0.005656 -0.002508 28O 1f-2 -0.005058 -0.006236 0.012135 0.009739 -0.013615 0.000524 28O 1f+3 0.000520 0.002213 0.001176 0.002402 0.010220 0.006327 28O 1f-3 0.003099 -0.008785 0.003869 0.000497 -0.011953 0.016216 29O 1s 0.009575 0.000459 -0.007052 -0.012510 0.007657 -0.018786 29O 2s 0.032091 0.001782 -0.023526 -0.041491 0.025497 -0.063038 29O 3s -0.201976 -0.015738 0.146246 0.259205 -0.161064 0.398809 29O 4s 0.332015 0.026120 -0.223116 -0.384693 0.218762 -0.592439 29O 5s -0.745267 0.007036 0.474231 0.688986 -0.314960 1.236205 29O 1pz -0.017544 0.006280 0.019409 0.036046 -0.017311 0.040911 29O 1px 0.039078 -0.001593 -0.043896 -0.088420 0.079200 -0.094297 29O 1py -0.033497 -0.000378 0.010694 0.030058 -0.002728 -0.002049 29O 2pz 0.044730 -0.043657 -0.060010 -0.091304 0.028450 -0.157859 29O 2px -0.138109 -0.006603 0.121111 0.225912 -0.184514 0.269318 29O 2py 0.124640 -0.000429 -0.065147 -0.135661 0.044047 -0.109425 29O 3pz -0.053022 -0.081361 0.019024 0.013387 -0.139413 -0.046412 29O 3px 0.141781 -0.020265 -0.098126 -0.183508 0.027970 -0.207078 29O 3py 0.159817 0.001793 -0.128168 -0.059238 0.131615 -0.443131 29O 1dz2 0.000541 -0.002620 -0.000917 -0.001939 -0.002245 -0.001755 29O 1dxz 0.001622 0.002706 -0.000515 -0.000332 0.003868 0.001707 29O 1dyz 0.000668 -0.000826 -0.001287 0.001588 0.001476 -0.003284 29O 1dx2y2 -0.001396 0.000055 0.001125 0.002489 0.001162 0.002291 29O 1dxy -0.003269 -0.000141 0.001620 -0.000795 -0.001238 0.005314 29O 2dz2 -0.010412 0.001526 0.017433 0.026788 -0.017866 0.040733 29O 2dxz -0.018665 0.004600 0.005121 0.024719 0.003999 0.029363 29O 2dyz 0.004490 0.028458 0.010900 0.024223 0.013153 0.026826 29O 2dx2y2 0.002734 -0.002414 -0.005683 -0.002271 0.013371 -0.019972 29O 2dxy 0.033137 0.000137 -0.021991 -0.064156 0.028282 -0.028714 29O 1f0 0.005037 0.001310 -0.002889 -0.003562 0.003299 -0.013359 29O 1f+1 -0.001792 -0.000988 0.001906 0.001284 -0.004585 0.005589 29O 1f-1 0.003483 0.000754 -0.001860 0.000792 0.002372 -0.014926 29O 1f+2 -0.000891 0.001529 0.000794 0.003198 0.003299 0.004620 29O 1f-2 0.002950 0.000484 -0.004149 -0.000618 0.001366 -0.011064 29O 1f+3 0.002242 -0.000887 -0.000930 -0.000865 -0.001415 -0.003895 29O 1f-3 0.000727 -0.000616 0.001050 0.001476 0.001054 0.003513 30O 1s 0.002135 -0.004077 -0.008717 0.024966 0.026845 -0.015625 30O 2s 0.007695 -0.015346 -0.029420 0.085530 0.092134 -0.055452 30O 3s -0.025558 0.092078 0.212041 -0.607990 -0.619562 0.375111 30O 4s -0.128902 0.013106 -0.256185 0.884223 0.772567 -0.355950 30O 5s -1.197371 0.414146 0.695093 -1.354325 -2.498594 2.104062 30O 1pz 0.021446 0.055794 0.006329 -0.049528 -0.058685 0.026149 30O 1px 0.181765 -0.126090 0.071620 0.140001 0.289239 -0.186777 30O 1py -0.011010 -0.039238 -0.000917 0.055672 0.029278 -0.093642 30O 2pz 0.040128 -0.177342 -0.057174 0.114655 0.298395 -0.172885 30O 2px -0.481265 0.322658 -0.053150 -0.375865 -0.782153 0.589677 30O 2py -0.100873 0.187565 0.061194 -0.114775 -0.230096 0.406218 30O 3pz 0.337304 0.090830 0.220474 -0.153286 0.060720 0.323022 30O 3px -0.234848 0.138334 0.185453 -0.122092 -0.074604 0.236667 30O 3py -0.181826 -0.430875 -0.159928 0.083258 0.138100 -0.177221 30O 1dz2 0.002813 -0.004967 0.003881 0.003638 0.003652 -0.000928 30O 1dxz 0.006139 -0.004367 0.006441 0.002952 -0.000668 -0.009697 30O 1dyz 0.003859 -0.001937 -0.005913 -0.001274 0.001299 -0.008187 30O 1dx2y2 -0.006244 0.009540 -0.011856 0.002035 -0.006151 -0.003081 30O 1dxy -0.004538 0.000066 -0.001027 -0.000461 -0.004611 0.000139 30O 2dz2 0.074843 -0.020725 0.004318 0.061535 0.038373 -0.107325 30O 2dxz 0.008246 -0.022747 0.038251 0.052764 0.111908 0.020691 30O 2dyz 0.003732 0.002764 -0.049374 -0.052937 -0.000911 -0.022317 30O 2dx2y2 -0.120432 0.095600 -0.101078 -0.029414 -0.107198 0.034560 30O 2dxy -0.056532 -0.021619 -0.008347 -0.060940 -0.089056 0.087831 30O 1f0 -0.009257 0.000622 0.001214 0.005414 -0.004546 0.007346 30O 1f+1 -0.005583 -0.006540 -0.003365 0.001622 0.005251 0.011772 30O 1f-1 -0.007635 0.000371 -0.006475 0.002623 -0.011908 -0.002249 30O 1f+2 -0.005936 0.003978 -0.002402 0.006385 -0.010674 -0.000896 30O 1f-2 0.006031 -0.007239 0.004925 -0.004095 0.007769 -0.012041 30O 1f+3 -0.009214 0.014370 -0.003941 0.018346 0.001240 0.011703 30O 1f-3 -0.003507 -0.003463 -0.015111 0.004395 -0.000130 -0.000576 31O 1s -0.000716 0.002318 -0.009349 0.024797 0.026904 -0.007085 31O 2s -0.002683 0.009616 -0.031671 0.085034 0.092341 -0.026252 31O 3s -0.011044 -0.053566 0.228219 -0.605718 -0.622052 0.195793 31O 4s 0.191854 -0.054171 -0.277832 0.888906 0.786726 -0.367253 31O 5s 1.127638 -0.313671 0.676580 -1.375867 -2.478053 0.972398 31O 1pz 0.028213 0.061886 -0.011550 0.049398 0.059326 -0.015894 31O 1px 0.168305 -0.122460 -0.065122 -0.142490 -0.285294 0.095843 31O 1py -0.018676 -0.044335 0.004259 -0.054536 -0.028027 0.087541 31O 2pz 0.027840 -0.183271 0.068417 -0.113891 -0.297583 0.038542 31O 2px -0.453781 0.301773 0.040889 0.378480 0.769305 -0.245144 31O 2py -0.086837 0.191289 -0.070511 0.111708 0.224237 -0.256650 31O 3pz 0.356904 0.096849 -0.248894 0.147509 -0.058633 -0.360736 31O 3px -0.235726 0.124208 -0.175215 0.122736 0.066870 -0.007798 31O 3py -0.225409 -0.431963 0.218986 -0.080972 -0.134924 0.272990 31O 1dz2 -0.002278 0.005677 0.003635 0.003605 0.003549 -0.001527 31O 1dxz -0.005877 0.004978 0.006391 0.003049 -0.000889 -0.008876 31O 1dyz -0.003478 0.002327 -0.005701 -0.000998 0.001296 -0.005306 31O 1dx2y2 0.005599 -0.010523 -0.011239 0.002012 -0.006098 -0.001116 31O 1dxy 0.004370 -0.000238 -0.001355 -0.000721 -0.004492 -0.003634 31O 2dz2 -0.071226 0.019297 0.006617 0.061126 0.035487 -0.076369 31O 2dxz -0.005209 0.024546 0.036951 0.053445 0.112787 0.044083 31O 2dyz -0.004659 -0.000073 -0.047098 -0.051973 0.000629 -0.039032 31O 2dx2y2 0.111455 -0.098282 -0.096629 -0.032369 -0.106127 -0.001647 31O 2dxy 0.056769 0.027578 -0.012490 -0.060381 -0.088121 0.048388 31O 1f0 -0.009615 0.000318 -0.000927 -0.005133 0.004454 -0.008413 31O 1f+1 -0.006230 -0.006676 0.004359 -0.001538 -0.005470 -0.011320 31O 1f-1 -0.007888 -0.000139 0.006648 -0.002647 0.011812 0.005568 31O 1f+2 -0.005792 0.004413 0.002363 -0.005979 0.010764 0.007000 31O 1f-2 0.006700 -0.007898 -0.004792 0.004177 -0.007599 0.003514 31O 1f+3 -0.009272 0.016270 0.003476 -0.017907 -0.001068 0.001028 31O 1f-3 -0.004266 -0.002946 0.015273 -0.004143 0.000152 -0.009635 32O 1s -0.010865 0.000436 -0.006664 -0.013254 0.006786 -0.017700 32O 2s -0.036302 0.001172 -0.022208 -0.043969 0.022626 -0.059307 32O 3s 0.226482 -0.001788 0.137740 0.274610 -0.144332 0.372563 32O 4s -0.355552 -0.000703 -0.209225 -0.408648 0.194873 -0.548333 32O 5s 0.775292 -0.070177 0.444232 0.740812 -0.245595 1.188356 32O 1pz -0.021031 0.007236 -0.019050 -0.036110 0.016762 -0.044988 32O 1px 0.051433 -0.006182 0.043702 0.092878 -0.078479 0.091285 32O 1py -0.032074 0.002149 -0.009846 -0.032484 0.000949 0.012749 32O 2pz 0.053349 -0.046721 0.061099 0.093126 -0.023788 0.148233 32O 2px -0.166022 0.009005 -0.117121 -0.239011 0.175462 -0.267483 32O 2py 0.129938 -0.013826 0.061281 0.145703 -0.031294 0.089062 32O 3pz -0.045674 -0.079322 -0.008132 -0.016594 0.139244 0.048361 32O 3px 0.142654 -0.031906 0.097215 0.196962 -0.019852 0.188223 32O 3py 0.177058 -0.009923 0.117928 0.063957 -0.116112 0.470293 32O 1dz2 -0.000704 0.002730 -0.001222 -0.002136 -0.002241 -0.001744 32O 1dxz -0.001382 -0.002511 -0.000107 -0.000433 0.003711 0.002162 32O 1dyz -0.000727 0.000702 -0.001253 0.001548 0.001421 -0.002709 32O 1dx2y2 0.001518 -0.000220 0.001115 0.002692 0.001476 0.002246 32O 1dxy 0.003478 -0.000016 0.001384 -0.000874 -0.001027 0.005340 32O 2dz2 0.014523 -0.002557 0.016209 0.028574 -0.014363 0.034026 32O 2dxz 0.023451 -0.007007 0.005313 0.026463 0.006370 0.031762 32O 2dyz -0.001095 -0.029429 0.015298 0.027403 0.013275 0.023836 32O 2dx2y2 -0.004400 0.003537 -0.005557 -0.001895 0.012562 -0.017825 32O 2dxy -0.036423 0.005129 -0.021136 -0.067251 0.024214 -0.028816 32O 1f0 0.005440 0.000811 0.002337 0.003825 -0.002379 0.012024 32O 1f+1 -0.002229 -0.000795 -0.001814 -0.001611 0.004217 -0.005521 32O 1f-1 0.004379 0.000473 0.001728 -0.000489 -0.002044 0.015184 32O 1f+2 -0.001411 0.001624 -0.001100 -0.003269 -0.003454 -0.004823 32O 1f-2 0.003348 0.000493 0.003707 0.000515 -0.000944 0.012220 32O 1f+3 0.002560 -0.000920 0.001004 0.001000 0.001623 0.004489 32O 1f-3 0.000679 -0.000572 -0.000960 -0.001503 -0.001245 -0.004437 33O 1s 0.001429 0.002231 0.004738 0.001832 0.015154 0.029330 33O 2s 0.004463 0.005910 0.015047 0.006599 0.052422 0.100512 33O 3s -0.059209 -0.060039 -0.106106 -0.069305 -0.355655 -0.713779 33O 4s 0.286414 0.289259 0.027587 0.153448 0.412629 1.157479 33O 5s 0.043983 0.420039 -0.035057 0.342132 -1.288925 -1.749801 33O 1pz -0.018913 -0.101563 -0.001858 0.022274 0.099141 0.083764 33O 1px 0.101791 0.068797 0.069295 0.014291 -0.118226 -0.265805 33O 1py 0.027459 0.001858 0.016028 0.047826 -0.083367 -0.030405 33O 2pz 0.148588 0.310287 -0.006632 0.051484 -0.344572 -0.174806 33O 2px -0.278194 -0.240490 -0.064527 -0.086820 0.367541 0.635717 33O 2py -0.027146 0.014091 -0.023239 -0.037133 0.185878 0.043682 33O 3pz -0.295310 -0.124172 0.298015 0.057989 0.083646 0.431066 33O 3px -0.099147 -0.294313 0.072658 -0.085313 -0.041874 -0.054927 33O 3py 0.006518 -0.052553 0.119895 0.262938 0.169155 0.115342 33O 1dz2 -0.006747 -0.001833 -0.007194 -0.002344 -0.001485 0.005762 33O 1dxz -0.000149 -0.008906 -0.002602 -0.001006 -0.002159 0.003856 33O 1dyz -0.000802 0.003398 -0.001438 0.001581 -0.003283 0.004425 33O 1dx2y2 0.008212 0.008819 0.008060 0.000416 -0.008359 -0.001785 33O 1dxy 0.004198 0.003119 0.004764 0.003286 0.005663 -0.006869 33O 2dz2 -0.058494 -0.049941 -0.029978 -0.005802 -0.048718 0.109747 33O 2dxz -0.000496 -0.021859 -0.052345 -0.043334 0.076692 0.065858 33O 2dyz 0.000694 0.004756 -0.011885 0.052439 0.069536 0.040428 33O 2dx2y2 0.039114 0.032017 0.045177 0.019498 -0.021783 -0.119958 33O 2dxy 0.018773 0.078676 0.039231 -0.019500 -0.090957 0.027552 33O 1f0 -0.000231 0.002996 0.009905 0.000227 -0.005953 0.003904 33O 1f+1 -0.010439 -0.012514 -0.008668 -0.014874 -0.011587 -0.013658 33O 1f-1 -0.003185 -0.002797 0.001442 0.007380 -0.006401 -0.008088 33O 1f+2 0.001812 0.004294 -0.002420 -0.002199 -0.005493 0.006612 33O 1f-2 -0.007248 -0.007936 -0.011186 -0.009952 0.013761 -0.004660 33O 1f+3 -0.000145 0.002168 -0.001814 -0.002284 -0.010104 -0.004771 33O 1f-3 0.002604 -0.009681 -0.003024 -0.000435 0.012411 -0.021148 34O 1s -0.002487 0.006363 -0.008373 -0.000008 -0.045201 0.019841 34O 2s -0.010107 0.022232 -0.028873 0.000630 -0.157010 0.068924 34O 3s 0.068426 -0.154889 0.271965 -0.081747 1.163523 -0.519720 34O 4s -0.047823 0.308786 -0.822042 0.644813 -2.073081 0.941131 34O 5s 0.682410 -1.043186 -0.166429 1.118184 2.620102 -0.702832 34O 1pz 0.028691 -0.194106 -0.079079 0.165167 0.002050 0.007917 34O 1px -0.088771 0.111023 0.157771 -0.147735 -0.281018 0.089329 34O 1py 0.022261 0.104411 0.115569 -0.023565 0.093759 -0.102685 34O 2pz -0.061092 0.386063 0.187014 -0.363038 0.014318 0.042581 34O 2px 0.263892 -0.267857 -0.561754 0.717929 0.566164 -0.105070 34O 2py -0.105707 -0.141329 -0.186955 -0.060076 -0.133344 0.234313 34O 3pz 0.002470 -0.182193 -0.084872 0.100454 -0.183774 0.352775 34O 3px 0.211607 -0.024381 0.001034 -0.071774 -0.150841 0.236414 34O 3py 0.127418 -0.052110 0.244836 0.179365 0.460638 -0.089699 34O 1dz2 -0.002377 0.000077 0.000364 -0.003200 0.000211 0.005090 34O 1dxz -0.006568 0.003144 0.008033 -0.003173 -0.003320 -0.006221 34O 1dyz -0.003625 -0.000824 -0.001883 0.001508 -0.004008 0.001418 34O 1dx2y2 0.007206 -0.003549 -0.011379 0.005640 0.003075 0.002063 34O 1dxy -0.005816 -0.001249 -0.004608 -0.002119 -0.005409 -0.002601 34O 2dz2 -0.006424 0.014990 -0.010872 -0.013819 -0.056458 -0.009960 34O 2dxz -0.046499 0.132894 0.060821 -0.074910 0.001326 0.092814 34O 2dyz -0.040472 -0.015663 -0.038321 0.023082 -0.006486 -0.031474 34O 2dx2y2 0.064844 -0.081237 -0.113145 0.071343 0.100993 0.028003 34O 2dxy 0.047540 -0.077888 -0.093905 0.014869 0.013074 0.087586 34O 1f0 0.006324 0.008604 -0.014354 0.003273 -0.002710 0.002146 34O 1f+1 -0.005492 -0.000816 0.012215 -0.014538 0.009775 -0.006659 34O 1f-1 0.004492 -0.004582 -0.005020 0.004669 -0.006962 -0.004511 34O 1f+2 -0.007559 -0.000153 0.005904 -0.009433 -0.005523 -0.002064 34O 1f-2 0.009447 0.010331 0.004108 -0.009437 -0.002540 -0.005384 34O 1f+3 0.014564 -0.013404 -0.000080 -0.003990 0.002514 -0.001935 34O 1f-3 0.024906 -0.018446 -0.005498 0.007737 -0.010194 0.005379 35O 1s -0.004935 -0.002762 0.015883 0.023121 -0.027139 -0.024981 35O 2s -0.017391 -0.010571 0.055377 0.081105 -0.094249 -0.086699 35O 3s 0.126332 0.078331 -0.493514 -0.661701 0.685638 0.597774 35O 4s -0.275977 -0.180740 1.380499 1.566808 -1.147981 -0.687716 35O 5s 0.561854 1.163103 0.181254 -0.454128 1.756815 2.324086 35O 1pz 0.083286 0.110159 0.147528 0.070649 -0.059923 -0.014866 35O 1px -0.118100 -0.126271 -0.154819 -0.012485 -0.206379 -0.233809 35O 1py 0.103208 0.032470 0.028883 0.096994 -0.023036 -0.124715 35O 2pz -0.108041 -0.183628 -0.268694 -0.063665 0.141815 0.063528 35O 2px 0.257632 0.294168 0.694690 0.358478 0.491774 0.746525 35O 2py -0.202720 -0.048197 0.116338 -0.080696 -0.001819 0.406260 35O 3pz -0.100348 0.201002 0.068083 0.035428 -0.218396 -0.575251 35O 3px -0.246399 0.239969 -0.102369 -0.121771 -0.006674 -0.267095 35O 3py 0.053956 0.276581 0.062217 -0.018465 -0.312121 -0.311525 35O 1dz2 0.000044 -0.008111 -0.006297 -0.002158 0.003777 -0.003487 35O 1dxz 0.001317 0.003125 -0.004337 0.001424 -0.002699 0.008398 35O 1dyz -0.000069 0.003526 -0.005243 -0.002517 -0.002145 0.003771 35O 1dx2y2 0.001224 0.007384 0.008070 0.000052 0.002508 0.001986 35O 1dxy -0.002230 0.001133 0.001535 -0.000401 0.009379 0.002007 35O 2dz2 -0.017256 -0.065968 -0.069004 -0.012963 -0.028509 -0.041613 35O 2dxz -0.059147 -0.092696 -0.111728 0.005178 0.049951 -0.044779 35O 2dyz -0.038352 -0.004151 -0.090963 -0.008437 0.003475 -0.036890 35O 2dx2y2 0.088002 0.068474 0.071351 0.027873 0.155122 0.038834 35O 2dxy -0.042203 0.011632 -0.005632 -0.059061 -0.051797 0.049389 35O 1f0 -0.012457 -0.018559 -0.000395 -0.004689 0.012120 -0.007982 35O 1f+1 0.004116 0.007986 -0.002981 -0.003316 -0.000892 -0.005338 35O 1f-1 0.006719 0.014739 -0.006337 0.000864 0.001823 0.006580 35O 1f+2 0.005609 0.015373 -0.007236 0.001447 -0.002254 0.001640 35O 1f-2 0.019447 0.015669 0.006742 0.011625 -0.000794 0.004964 35O 1f+3 0.000935 -0.007230 -0.010382 -0.015195 0.004623 0.004910 35O 1f-3 0.001737 -0.000221 -0.020490 -0.014904 0.002336 -0.004717 510 511 512 513 514 515 3.20030 3.21286 3.22280 3.24699 3.25390 3.25671 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s 0.000492 0.000273 0.000170 -0.000081 -0.000235 0.000168 0Rh 2s -0.003101 -0.004887 -0.001342 0.001349 0.002246 0.001999 0Rh 3s 0.001041 -0.001341 0.000195 0.000332 -0.000035 0.002225 0Rh 4s 0.016567 0.025926 0.007184 -0.007268 -0.012103 -0.009390 0Rh 5s -0.030217 -0.062663 -0.014728 0.018742 0.027560 0.017225 0Rh 6s 0.004827 0.081361 0.010414 -0.031499 -0.033301 0.023011 0Rh 7s 0.127640 -0.081412 -0.008630 0.190319 0.180373 -0.840522 0Rh 8s -0.011902 0.133983 0.001110 -0.023458 0.015679 0.133458 0Rh 1pz -0.003093 0.000349 0.000234 0.003100 -0.001885 -0.010043 0Rh 1px 0.001362 -0.000399 0.000167 0.001362 0.001897 -0.002318 0Rh 1py -0.000721 0.001406 -0.001010 0.004111 -0.010794 0.002786 0Rh 2pz 0.011672 -0.001659 -0.001020 -0.012046 0.007089 0.038061 0Rh 2px -0.005103 0.001384 -0.000638 -0.005047 -0.006958 0.007960 0Rh 2py 0.002596 -0.005166 0.003410 -0.015559 0.040749 -0.010581 0Rh 3pz -0.021186 0.009312 0.004696 0.029064 -0.011960 -0.070692 0Rh 3px 0.008104 0.000061 0.001256 0.006945 0.007876 0.003192 0Rh 3py -0.003487 0.006147 0.002297 0.028184 -0.072663 0.020482 0Rh 4pz 0.000110 -0.021847 -0.011769 -0.031199 -0.005677 -0.000223 0Rh 4px 0.007182 -0.011847 -0.000253 0.011079 0.023142 -0.082744 0Rh 4py 0.002405 0.015333 -0.036390 0.005225 -0.012253 -0.005517 0Rh 5pz 0.021427 0.025672 0.016566 0.036649 0.026002 0.050655 0Rh 5px -0.030916 0.040369 -0.001466 -0.039792 -0.065186 0.209895 0Rh 5py -0.004943 -0.038321 0.066703 -0.041580 0.086520 0.001442 0Rh 6pz -0.623378 0.023583 0.087179 0.615609 0.014544 0.470400 0Rh 6px 0.030107 -0.594047 0.012760 0.427418 0.222338 -0.874932 0Rh 6py -0.898960 0.181031 0.191437 -0.228288 -0.088318 0.161761 0Rh 1dz2 -0.004744 -0.015088 0.003966 -0.022807 -0.007845 -0.000883 0Rh 1dxz 0.005500 0.022116 0.006040 -0.004230 0.000521 0.011090 0Rh 1dyz -0.002572 0.004772 -0.010093 0.005336 -0.004917 0.002682 0Rh 1dx2y2 -0.011237 0.016893 -0.005867 -0.012495 -0.006982 -0.007633 0Rh 1dxy 0.029036 0.004776 0.014023 -0.007696 0.001690 -0.001665 0Rh 2dz2 -0.000489 -0.000194 0.004039 -0.003456 -0.002680 -0.002514 0Rh 2dxz 0.000351 0.002388 0.000310 -0.000354 0.000326 -0.000952 0Rh 2dyz 0.000614 0.001267 0.007462 -0.000113 -0.004926 -0.000886 0Rh 2dx2y2 -0.000833 0.000750 0.000950 -0.001739 -0.002023 0.002885 0Rh 2dxy 0.002238 0.000314 0.005518 -0.001731 -0.001654 0.001065 0Rh 3dz2 0.017404 0.049727 -0.031351 0.089833 0.037834 0.014216 0Rh 3dxz -0.019421 -0.082613 -0.021002 0.015446 -0.003123 -0.031894 0Rh 3dyz 0.005332 -0.021317 -0.001500 -0.017547 0.038480 -0.004623 0Rh 3dx2y2 0.040137 -0.058150 0.014609 0.048541 0.031927 0.011996 0Rh 3dxy -0.104185 -0.016966 -0.070753 0.032578 0.002143 0.000707 0Rh 4dz2 -0.011219 -0.028615 0.064105 -0.086576 -0.053250 -0.035031 0Rh 4dxz 0.014847 0.073381 0.014850 -0.012670 0.004607 0.007624 0Rh 4dyz 0.010992 0.028728 0.088579 0.019011 -0.080522 -0.009305 0Rh 4dx2y2 -0.031351 0.040868 0.003849 -0.045436 -0.040849 0.022226 0Rh 4dxy 0.084088 0.013931 0.103458 -0.031994 -0.023515 0.009602 0Rh 5dz2 -0.079803 -0.072283 -0.045186 -0.032929 0.061680 0.034116 0Rh 5dxz 0.017756 -0.005876 0.012629 -0.014819 0.004202 0.024199 0Rh 5dyz -0.179683 -0.062824 -0.128387 -0.138758 0.149859 0.051011 0Rh 5dx2y2 -0.026845 0.048910 -0.039698 -0.035462 0.027739 -0.024902 0Rh 5dxy 0.013026 -0.004166 -0.071882 -0.058298 0.086484 0.003370 0Rh 1f0 -0.001824 -0.004038 0.009030 -0.013332 0.030792 0.000227 0Rh 1f+1 0.006413 0.015453 0.008449 0.002656 0.009393 0.016216 0Rh 1f-1 0.006045 -0.008673 0.012539 -0.026008 0.053253 0.030497 0Rh 1f+2 -0.020111 0.005509 -0.011700 0.005981 0.005363 -0.066900 0Rh 1f-2 0.011081 -0.005512 0.016551 -0.004807 0.039981 -0.027543 0Rh 1f+3 -0.005535 0.020837 -0.006594 0.004008 -0.028565 0.019112 0Rh 1f-3 0.004698 -0.001809 0.010483 -0.020672 0.040025 -0.015209 1Rh 1s 0.000846 -0.000304 -0.000214 -0.000080 -0.000233 0.000163 1Rh 2s -0.005812 0.005025 0.001674 0.001303 0.002256 0.002062 1Rh 3s 0.001501 0.001239 -0.000257 0.000314 -0.000021 0.002237 1Rh 4s 0.031039 -0.026661 -0.008960 -0.007021 -0.012152 -0.009724 1Rh 5s -0.059164 0.063678 0.018303 0.018074 0.027728 0.018014 1Rh 6s 0.021815 -0.079856 -0.012690 -0.030348 -0.033686 0.022067 1Rh 7s 0.145745 0.061285 0.008752 0.189082 0.181896 -0.835120 1Rh 8s -0.092807 -0.129068 0.002921 -0.012204 0.014564 0.123040 1Rh 1pz -0.000310 0.000048 0.000185 -0.003063 0.001900 0.010030 1Rh 1px -0.002060 -0.000302 0.000189 -0.001301 -0.001894 0.002283 1Rh 1py 0.002528 0.001309 -0.000852 -0.004128 0.010824 -0.002779 1Rh 2pz 0.001110 -0.000532 -0.000832 0.011907 -0.007145 -0.038034 1Rh 2px 0.007834 0.001025 -0.000726 0.004822 0.006944 -0.007836 1Rh 2py -0.009964 -0.004791 0.002814 0.015616 -0.040867 0.010564 1Rh 3pz -0.000504 0.007486 0.004248 -0.028815 0.012059 0.071077 1Rh 3px -0.014741 0.000476 0.001540 -0.006629 -0.007869 -0.003254 1Rh 3py 0.026565 0.005268 0.003390 -0.028136 0.072904 -0.020588 1Rh 4pz -0.008047 -0.022920 -0.011287 0.031120 0.005659 -0.001778 1Rh 4px -0.002411 -0.010524 -0.000692 -0.010611 -0.023068 0.082121 1Rh 4py -0.034238 0.016317 -0.036284 -0.005986 0.012159 0.006161 1Rh 5pz 0.015609 0.029816 0.016084 -0.036476 -0.025809 -0.046394 1Rh 5px 0.036730 0.035806 -0.001191 0.038281 0.065046 -0.209870 1Rh 5py 0.047448 -0.039768 0.065622 0.043356 -0.086526 -0.002886 1Rh 6pz 0.098781 -0.002949 0.069556 -0.605805 -0.017672 -0.473203 1Rh 6px -0.372020 -0.573957 0.012919 -0.415265 -0.221671 0.921452 1Rh 6py 0.345826 0.155860 0.179641 0.227340 0.089684 -0.158797 1Rh 1dz2 0.000271 0.014753 -0.004277 -0.022724 -0.007582 -0.000882 1Rh 1dxz 0.002732 -0.022498 -0.006122 -0.003733 0.000777 0.010302 1Rh 1dyz 0.005357 -0.004707 0.010016 0.005516 -0.005256 0.002425 1Rh 1dx2y2 0.003999 -0.016791 0.005790 -0.012492 -0.006810 -0.007181 1Rh 1dxy -0.024785 -0.005005 -0.014003 -0.007346 0.001595 -0.001405 1Rh 2dz2 -0.000076 0.000148 -0.004110 -0.003357 -0.002626 -0.002508 1Rh 2dxz 0.000064 -0.002413 -0.000294 -0.000316 0.000356 -0.001053 1Rh 2dyz 0.000222 -0.001282 -0.007554 0.000148 -0.004915 -0.000974 1Rh 2dx2y2 0.000453 -0.000745 -0.000999 -0.001668 -0.001966 0.002892 1Rh 2dxy -0.001470 -0.000360 -0.005559 -0.001625 -0.001635 0.001068 1Rh 3dz2 -0.000499 -0.048436 0.032683 0.089111 0.036734 0.014190 1Rh 3dxz -0.009196 0.083968 0.021201 0.013653 -0.004089 -0.028864 1Rh 3dyz -0.018225 0.021160 0.002170 -0.019339 0.039541 -0.003380 1Rh 3dx2y2 -0.014896 0.057792 -0.014144 0.048196 0.031105 0.010484 1Rh 3dxy 0.087003 0.017910 0.070873 0.030939 0.002368 -0.000157 1Rh 4dz2 -0.002302 0.027423 -0.065704 -0.084907 -0.052106 -0.035027 1Rh 4dxz 0.006890 -0.074438 -0.014867 -0.011289 0.005448 0.004719 1Rh 4dyz 0.007440 -0.028605 -0.090059 0.023456 -0.081213 -0.011137 1Rh 4dx2y2 0.011272 -0.040530 -0.004544 -0.044242 -0.039707 0.023207 1Rh 4dxy -0.067192 -0.014832 -0.103999 -0.029608 -0.023471 0.010125 1Rh 5dz2 0.051837 0.071321 0.046923 -0.037287 0.063897 0.034005 1Rh 5dxz 0.003258 0.004925 -0.012661 -0.013208 0.004864 0.023867 1Rh 5dyz 0.140836 0.059954 0.131107 -0.152377 0.154545 0.053970 1Rh 5dx2y2 0.026596 -0.049458 0.039362 -0.040161 0.026880 -0.022146 1Rh 5dxy 0.019189 0.002147 0.072792 -0.063295 0.087488 0.004845 1Rh 1f0 -0.016665 -0.003495 0.008827 0.013588 -0.031132 -0.000339 1Rh 1f+1 0.008528 0.015753 0.008215 -0.003313 -0.009238 -0.015983 1Rh 1f-1 -0.014828 -0.007052 0.012037 0.026368 -0.053785 -0.030353 1Rh 1f+2 -0.004023 0.003818 -0.012359 -0.005553 -0.005131 0.066004 1Rh 1f-2 0.000619 -0.005566 0.016013 0.004318 -0.039618 0.027484 1Rh 1f+3 0.007846 0.020961 -0.006571 -0.004399 0.028329 -0.019055 1Rh 1f-3 0.007520 -0.001501 0.009950 0.021193 -0.040078 0.014821 2C 1s -0.018462 -0.024185 -0.011678 -0.007384 0.006680 0.003486 2C 2s -0.054087 -0.070657 -0.036269 -0.020119 0.021031 0.011808 2C 3s -0.233571 -0.381828 0.089351 -0.365134 -0.327899 -0.349815 2C 4s 2.941030 4.385666 1.020991 2.861392 0.987225 1.563656 2C 5s 0.539739 1.440529 0.548306 2.195155 0.794975 -1.656822 2C 1pz -0.035325 -0.062882 0.100967 -0.078258 -0.138243 -0.122191 2C 1px 0.001412 -0.043858 -0.099235 -0.049289 0.047393 0.069834 2C 1py -0.015254 -0.036058 0.013848 -0.061254 -0.057098 -0.049713 2C 2pz 1.189686 1.642252 0.048268 1.153848 0.973421 1.309333 2C 2px -0.001349 0.258947 0.773552 0.197535 -0.552866 -0.484781 2C 2py 0.563451 1.364748 0.389232 1.287045 0.396864 0.761547 2C 3pz 0.414351 0.796258 0.264125 0.727617 0.287323 -0.238821 2C 3px 0.190785 0.232117 0.002514 0.152734 -0.166917 -0.273995 2C 3py 0.300550 0.406477 0.192647 0.466814 0.149988 -0.219943 2C 1dz2 -0.065209 -0.204106 -0.011985 -0.093326 -0.093133 -0.067442 2C 1dxz -0.009524 0.021976 0.077162 0.046728 -0.002796 -0.037307 2C 1dyz -0.157781 -0.170996 -0.092040 -0.087719 0.003962 -0.012973 2C 1dx2y2 0.071956 0.040729 0.020074 0.045421 0.080872 0.081417 2C 1dxy 0.015979 -0.064759 0.070800 -0.002401 0.004333 -0.017197 2C 2dz2 0.402816 0.562756 -0.141859 0.265658 0.447968 0.558269 2C 2dxz 0.017240 0.251090 0.364061 0.325052 -0.214107 -0.132570 2C 2dyz 0.541794 0.876041 0.279798 0.571051 0.227159 0.486522 2C 2dx2y2 -0.187353 -0.222682 0.050673 -0.255561 -0.293263 -0.360558 2C 2dxy 0.110887 0.156873 0.222343 0.006635 -0.178572 -0.170679 2C 1f0 0.020918 0.102280 -0.047264 0.064055 0.055523 0.062539 2C 1f+1 0.021523 0.190477 0.051583 0.207945 -0.011879 0.026715 2C 1f-1 0.161301 0.271811 0.125206 0.088362 0.019185 0.156572 2C 1f+2 -0.160351 -0.114044 -0.031506 -0.094671 0.036831 0.031536 2C 1f-2 0.038397 0.027676 0.063064 -0.031468 -0.003794 -0.008031 2C 1f+3 0.069915 0.027186 0.030440 0.000958 -0.001942 0.026586 2C 1f-3 0.074111 0.050067 0.044384 -0.059318 0.117337 0.140079 3C 1s 0.020604 -0.018709 0.009393 0.007626 -0.003543 -0.001759 3C 2s 0.059646 -0.055591 0.028621 0.021182 -0.012070 -0.003843 3C 3s 0.435177 -0.157149 0.000244 0.410612 0.435125 -0.328391 3C 4s -4.299955 2.764775 -1.177191 -3.249405 -1.905927 2.063249 3C 5s -0.865172 0.421026 -0.746870 -1.989000 -0.735936 -1.220237 3C 1pz 0.032123 0.014652 -0.044115 0.023649 0.100133 -0.063521 3C 1px -0.003506 -0.029999 0.099454 0.107783 -0.027474 0.042124 3C 1py -0.104712 -0.005163 0.050113 -0.079190 -0.150329 0.092586 3C 2pz -1.280713 0.523800 -0.215835 -1.209510 -1.098789 0.948239 3C 2px -0.426656 0.521823 -0.945050 -1.101287 0.176143 -0.133337 3C 2py 1.783338 -0.993644 0.214198 1.341295 1.227657 -1.361436 3C 3pz -0.169817 0.185536 -0.161513 -0.451250 -0.246253 0.004136 3C 3px -0.284728 0.150065 -0.059907 -0.282402 0.097174 -0.204542 3C 3py 0.648680 -0.428142 0.328302 0.676533 0.324301 0.138580 3C 1dz2 -0.191990 -0.068430 0.028229 -0.010432 -0.030813 0.010309 3C 1dxz 0.048402 -0.048771 -0.045759 -0.008151 0.086565 -0.087451 3C 1dyz -0.157849 0.155556 -0.089675 -0.142458 -0.052396 0.048520 3C 1dx2y2 -0.080185 0.073710 -0.023472 -0.050739 -0.094097 0.098089 3C 1dxy -0.071245 0.020995 0.008657 -0.010405 0.016048 -0.032104 3C 2dz2 0.244898 -0.117809 0.040697 0.009058 -0.071916 -0.015660 3C 2dxz -0.259088 0.191635 -0.054989 -0.272755 -0.194330 0.262250 3C 2dyz 0.799255 -0.510552 0.110573 0.483330 0.550102 -0.564372 3C 2dx2y2 0.595693 -0.231775 -0.049544 0.355852 0.584315 -0.599938 3C 2dxy 0.346423 -0.332014 0.539836 0.706302 -0.093411 0.019469 3C 1f0 0.102444 -0.115854 0.041233 0.003845 0.061782 -0.153034 3C 1f+1 0.012208 0.024534 -0.018918 0.107497 -0.123708 0.165543 3C 1f-1 -0.017496 -0.111442 0.004950 -0.001941 -0.026095 -0.012461 3C 1f+2 0.119563 -0.116324 0.049973 0.025969 0.046889 -0.083842 3C 1f-2 0.119970 -0.137243 0.025961 0.150838 -0.066192 0.037850 3C 1f+3 -0.221639 0.110859 -0.151710 -0.186600 -0.106840 0.138561 3C 1f-3 0.197678 -0.061003 -0.005033 0.150483 0.084767 -0.070002 4C 1s 0.003184 0.001105 0.002999 -0.009196 -0.007167 0.003085 4C 2s 0.009049 0.003609 0.010319 -0.027756 -0.021762 0.007395 4C 3s 0.316751 0.369347 -0.084791 0.342006 0.320227 0.161360 4C 4s -1.918474 -2.201207 -0.200876 -1.540539 -1.122549 -1.311981 4C 5s -1.217038 -1.211855 -0.753616 -0.226671 0.518855 0.766995 4C 1pz -0.113541 -0.178225 -0.041018 -0.071957 -0.016131 -0.096353 4C 1px 0.021990 0.006274 0.027390 -0.029333 0.005635 0.000982 4C 1py -0.088789 -0.080255 -0.017064 -0.032669 0.004002 -0.031069 4C 2pz 1.493143 2.418205 0.113710 1.576627 1.084611 1.756685 4C 2px -0.176675 0.253636 1.185070 0.534553 -0.728642 -0.791003 4C 2py 0.871651 1.533043 0.473881 1.134984 0.324941 0.650693 4C 3pz 0.467415 1.252391 0.388642 2.264249 0.823894 -1.353027 4C 3px -0.169009 0.053637 0.393007 0.195781 0.553986 0.090546 4C 3py 0.271150 0.915661 0.304240 1.414427 0.699983 -0.772830 4C 1dz2 0.028929 0.170130 0.200986 0.198174 -0.072048 0.004912 4C 1dxz 0.119440 0.075137 -0.153727 0.001593 0.223145 0.245549 4C 1dyz 0.110790 0.104517 0.056303 -0.011460 -0.002601 0.045442 4C 1dx2y2 0.007866 -0.086649 -0.075509 -0.150807 -0.003843 -0.025883 4C 1dxy 0.063095 0.085341 -0.166325 0.017718 0.130062 0.158615 4C 2dz2 -0.301816 -0.810757 -1.172997 -0.933514 0.581425 0.439212 4C 2dxz -0.563610 -0.641237 0.874320 -0.355020 -1.107858 -1.379380 4C 2dyz -0.626626 -1.009626 -0.488675 -0.557889 0.030495 -0.321237 4C 2dx2y2 0.199391 0.515291 0.472689 0.648881 -0.011892 -0.025432 4C 2dxy -0.529023 -0.098520 1.049810 0.408480 -0.926582 -1.011013 4C 1f0 -0.057309 0.082762 0.012031 0.075916 -0.063344 0.019942 4C 1f+1 0.054409 -0.013359 -0.054404 -0.085480 0.026266 0.016016 4C 1f-1 0.283625 0.359129 0.142788 0.116578 0.064696 0.088601 4C 1f+2 -0.079344 -0.060669 -0.018075 0.023839 0.148826 0.113323 4C 1f-2 0.045342 0.096739 0.050522 0.045459 -0.014052 -0.003294 4C 1f+3 0.046202 0.179963 0.028663 0.132920 0.077027 0.131332 4C 1f-3 0.013916 -0.090101 -0.047392 -0.239654 0.074517 0.118730 5C 1s -0.001150 0.003883 -0.001778 0.007811 0.006346 0.002967 5C 2s -0.002987 0.011818 -0.005979 0.023831 0.019549 0.007277 5C 3s -0.445788 0.250153 0.009186 -0.344252 -0.378978 0.143762 5C 4s 2.467318 -1.772568 0.380419 1.700435 1.521509 -1.368814 5C 5s 0.901059 -1.275339 0.784893 0.190037 -0.496568 0.487807 5C 1pz 0.094692 -0.081947 0.016439 0.033613 0.016010 -0.063030 5C 1px 0.025917 -0.018199 -0.021963 0.017064 -0.024849 0.017686 5C 1py -0.169583 0.089529 -0.055530 -0.086629 -0.058358 0.107779 5C 2pz -1.600844 0.708721 0.014798 -0.917539 -1.081284 1.180173 5C 2px -0.285803 0.634029 -1.197470 -1.442513 0.550166 -0.407388 5C 2py 2.397532 -1.228152 0.466093 1.819768 1.591096 -1.740882 5C 3pz -0.728493 0.219572 -0.260014 -1.215348 -0.469958 -0.547134 5C 3px 0.060789 0.194607 -0.475324 -0.585444 -0.557465 -0.175055 5C 3py 0.800863 -0.282908 0.455210 2.079499 0.843765 0.869188 5C 1dz2 0.114147 -0.054327 -0.023340 -0.009618 0.119233 -0.028334 5C 1dxz -0.087248 0.012981 0.041867 -0.069160 -0.129483 0.101786 5C 1dyz 0.097465 -0.098262 0.120387 0.094116 -0.071866 0.000782 5C 1dx2y2 0.083632 -0.127370 0.198368 0.277402 0.008655 -0.058263 5C 1dxy 0.142729 -0.054649 -0.164377 -0.087362 0.194291 -0.210318 5C 2dz2 -0.307986 0.124372 0.467907 0.400285 -0.513676 0.410717 5C 2dxz 0.634987 -0.162186 -0.424320 0.070095 0.737487 -0.840468 5C 2dyz -0.619246 0.715572 -0.799453 -0.838289 0.328305 -0.009857 5C 2dx2y2 -0.572387 0.769617 -1.253048 -1.726341 0.341581 -0.071156 5C 2dxy -1.158611 0.267579 0.709979 0.133510 -1.311239 1.253666 5C 1f0 0.329400 -0.174141 0.135744 0.216097 0.187929 -0.159243 5C 1f+1 0.061088 -0.033611 0.036031 0.244052 -0.058187 0.071462 5C 1f-1 0.005493 -0.060361 -0.030694 -0.061179 -0.021998 -0.030918 5C 1f+2 0.127839 -0.163689 0.081099 0.061023 -0.040997 -0.013972 5C 1f-2 0.106375 -0.124894 0.024282 0.055681 -0.113145 0.115442 5C 1f+3 -0.096372 0.095891 0.017415 0.070728 -0.098683 0.139386 5C 1f-3 0.080781 -0.016679 0.011937 -0.007932 -0.017763 0.043744 6C 1s 0.001406 -0.003709 0.001917 0.007881 0.006350 0.002937 6C 2s 0.004027 -0.011309 0.006413 0.024034 0.019542 0.007171 6C 3s 0.326195 -0.250791 -0.013335 -0.349842 -0.379631 0.148428 6C 4s -2.018346 1.778411 -0.361647 1.719822 1.524235 -1.370152 6C 5s -0.922504 1.279160 -0.798787 0.179019 -0.492765 0.513301 6C 1pz 0.106984 -0.083064 0.015006 -0.033804 -0.015070 0.061123 6C 1px 0.048860 -0.018246 -0.022047 -0.015627 0.024788 -0.015923 6C 1py -0.182836 0.091147 -0.053327 0.087941 0.057721 -0.105843 6C 2pz -1.747998 0.724649 0.041656 0.935355 1.067068 -1.167609 6C 2px -0.111036 0.635018 -1.194070 1.421842 -0.519579 0.410482 6C 2py 2.564441 -1.253636 0.425504 -1.841435 -1.582394 1.720661 6C 3pz -0.813210 0.236355 -0.246974 1.225734 0.466392 0.555901 6C 3px -0.023210 0.209116 -0.462149 0.581342 0.572538 0.164967 6C 3py 1.083330 -0.319882 0.432743 -2.089217 -0.841643 -0.889644 6C 1dz2 -0.081420 0.052322 0.023003 -0.006595 0.120177 -0.031492 6C 1dxz 0.159303 -0.016108 -0.045506 -0.071981 -0.128796 0.102090 6C 1dyz -0.053872 0.097014 -0.120941 0.092589 -0.070717 0.003759 6C 1dx2y2 -0.075342 0.129155 -0.196624 0.277113 0.011644 -0.053192 6C 1dxy -0.156343 0.055312 0.165914 -0.086095 0.189691 -0.212793 6C 2dz2 0.359319 -0.122123 -0.468810 0.390513 -0.502064 0.420366 6C 2dxz -0.950784 0.180756 0.438141 0.081618 0.713017 -0.829169 6C 2dyz 0.421022 -0.713241 0.800793 -0.830600 0.316389 -0.024086 6C 2dx2y2 0.519842 -0.782758 1.243662 -1.713208 0.325002 -0.105903 6C 2dxy 1.264843 -0.275552 -0.726700 0.110601 -1.285647 1.252995 6C 1f0 0.305475 -0.177031 0.132558 -0.221697 -0.188533 0.155267 6C 1f+1 0.106655 -0.036710 0.034519 -0.242183 0.058669 -0.073884 6C 1f-1 0.052405 -0.060877 -0.031548 0.061762 0.024365 0.030016 6C 1f+2 0.158694 -0.164542 0.081530 -0.060191 0.040564 0.013583 6C 1f-2 0.051434 -0.121189 0.026421 -0.053595 0.110069 -0.113007 6C 1f+3 -0.162544 0.098145 0.018226 -0.068425 0.095746 -0.139818 6C 1f-3 0.024174 -0.012699 0.013588 0.006215 0.016769 -0.041739 7C 1s -0.001540 -0.001261 -0.003216 -0.009117 -0.007131 0.003067 7C 2s -0.003263 -0.004136 -0.010990 -0.027524 -0.021621 0.007367 7C 3s -0.463049 -0.358849 0.094600 0.351136 0.315456 0.162228 7C 4s 2.312143 2.159716 0.170101 -1.590466 -1.104419 -1.304099 7C 5s 0.898089 1.219602 0.772638 -0.269631 0.522244 0.793003 7C 1pz -0.082801 -0.177153 -0.040790 0.075311 0.014559 0.092649 7C 1px -0.007160 0.008751 0.027451 0.026467 -0.004606 0.001742 7C 1py -0.074728 -0.080579 -0.017934 0.033688 -0.004514 0.031077 7C 2pz 1.546697 2.384181 0.091323 -1.610802 -1.055942 -1.726506 7C 2px -0.773921 0.236282 1.199990 -0.515038 0.692888 0.778148 7C 2py 0.668675 1.517076 0.471946 -1.156042 -0.325318 -0.647772 7C 3pz 0.086064 1.240291 0.376437 -2.290600 -0.814881 1.368311 7C 3px -0.444505 0.059081 0.386824 -0.171514 -0.572381 -0.121706 7C 3py 0.000084 0.912217 0.298334 -1.433724 -0.701474 0.777863 7C 1dz2 0.025714 -0.163175 -0.200556 0.201019 -0.068995 0.002382 7C 1dxz -0.163539 -0.076786 0.156733 0.001292 0.218566 0.248472 7C 1dyz -0.123481 -0.104827 -0.057398 -0.009560 -0.003214 0.044126 7C 1dx2y2 -0.083384 0.088077 0.076796 -0.151957 -0.005458 -0.025484 7C 1dxy -0.113910 -0.083829 0.170677 0.017616 0.128369 0.163583 7C 2dz2 -0.158827 0.784194 1.181467 -0.936517 0.563654 0.456052 7C 2dxz 0.990018 0.635979 -0.896810 -0.365020 -1.075972 -1.373445 7C 2dyz 0.591992 0.998129 0.490793 -0.578406 0.030694 -0.309927 7C 2dx2y2 0.068244 -0.514860 -0.481690 0.653368 -0.013020 -0.043810 7C 2dxy 0.972368 0.107756 -1.063520 0.400921 -0.894082 -1.013770 7C 1f0 -0.015330 0.074679 0.008759 -0.076162 0.060759 -0.021741 7C 1f+1 0.041866 -0.013269 -0.053887 0.085247 -0.025219 -0.017596 7C 1f-1 0.203587 0.361075 0.144338 -0.126248 -0.061686 -0.085377 7C 1f+2 -0.076243 -0.061297 -0.021775 -0.022722 -0.146082 -0.107754 7C 1f-2 0.009347 0.096280 0.051072 -0.045263 0.012133 0.002475 7C 1f+3 0.061971 0.178623 0.026811 -0.138304 -0.077436 -0.132200 7C 1f-3 0.090114 -0.082869 -0.048614 0.235380 -0.071717 -0.116631 8C 1s -0.023303 0.018872 -0.009411 0.007747 -0.003588 -0.001504 8C 2s -0.067263 0.056032 -0.028733 0.021518 -0.012178 -0.003087 8C 3s -0.405480 0.160080 0.009061 0.415928 0.434524 -0.330046 8C 4s 4.353269 -2.798883 1.128257 -3.281531 -1.898722 2.030894 8C 5s 1.144155 -0.456341 0.728969 -1.994409 -0.739403 -1.241507 8C 1pz 0.040905 0.014209 -0.045726 -0.024749 -0.099404 0.064317 8C 1px -0.014204 -0.030454 0.098910 -0.107312 0.024474 -0.041970 8C 1py -0.095904 -0.004554 0.052851 0.081249 0.149543 -0.094325 8C 2pz -1.302711 0.537999 -0.193378 1.222485 1.093977 -0.935706 8C 2px -0.207557 0.519127 -0.938405 1.091908 -0.154985 0.141889 8C 2py 1.760660 -1.007945 0.186496 -1.353886 -1.220622 1.349939 8C 3pz -0.291020 0.197053 -0.155023 0.451001 0.246336 0.002238 8C 3px -0.324258 0.152573 -0.061959 0.283618 -0.100693 0.210819 8C 3py 0.691698 -0.437589 0.320348 -0.681932 -0.326762 -0.143529 8C 1dz2 0.108423 0.071691 -0.026478 -0.015315 -0.028588 0.013407 8C 1dxz -0.075221 0.049731 0.046828 -0.007278 0.084885 -0.086029 8C 1dyz 0.173101 -0.157526 0.088532 -0.143924 -0.053225 0.046593 8C 1dx2y2 0.133063 -0.078016 0.021514 -0.053061 -0.094836 0.099068 8C 1dxy 0.045831 -0.017364 -0.008939 -0.009699 0.015347 -0.029608 8C 2dz2 -0.146834 0.114279 -0.045299 0.012273 -0.074298 -0.016165 8C 2dxz 0.295404 -0.199062 0.050794 -0.272043 -0.189614 0.253391 8C 2dyz -0.763881 0.512812 -0.102666 0.491814 0.549219 -0.562595 8C 2dx2y2 -0.682274 0.241158 0.063891 0.361008 0.579437 -0.597567 8C 2dxy -0.272297 0.331384 -0.534940 0.703424 -0.081492 0.025127 8C 1f0 0.110489 -0.116342 0.040496 -0.006427 -0.058566 0.149433 8C 1f+1 -0.025845 0.027125 -0.016789 -0.106526 0.120288 -0.163082 8C 1f-1 -0.006110 -0.111013 0.004161 0.003137 0.025885 0.010734 8C 1f+2 0.118335 -0.116710 0.050388 -0.025815 -0.048352 0.085157 8C 1f-2 0.141038 -0.137646 0.025769 -0.147513 0.064592 -0.037938 8C 1f+3 -0.185628 0.111367 -0.149021 0.190390 0.107926 -0.134628 8C 1f-3 0.197060 -0.062324 -0.007230 -0.152625 -0.083294 0.068712 9C 1s 0.010981 0.024339 0.012050 -0.008031 0.006776 0.003749 9C 2s 0.031273 0.071168 0.037418 -0.022019 0.021261 0.012541 9C 3s 0.319335 0.371680 -0.098749 -0.370081 -0.323076 -0.348710 9C 4s -2.623923 -4.339530 -1.008405 2.942604 0.958510 1.524781 9C 5s -0.134676 -1.430760 -0.542606 2.230231 0.788893 -1.677389 9C 1pz -0.093747 -0.059918 0.104174 0.078528 0.135223 0.122148 9C 1px 0.039261 -0.043079 -0.099721 0.050131 -0.045045 -0.069575 9C 1py -0.028509 -0.035178 0.016295 0.062746 0.057636 0.050234 9C 2pz 1.355826 1.613958 0.031919 -1.175525 -0.951758 -1.290439 9C 2px -0.216326 0.244618 0.776914 -0.192598 0.532655 0.486408 9C 2py 0.555539 1.331723 0.370843 -1.301097 -0.398781 -0.755186 9C 3pz 0.220941 0.791184 0.263210 -0.741920 -0.285486 0.241837 9C 3px 0.248006 0.226834 0.003245 -0.163508 0.173183 0.279973 9C 3py 0.154437 0.410645 0.192994 -0.478089 -0.148278 0.227691 9C 1dz2 0.020752 0.205498 0.014617 -0.100070 -0.090858 -0.064730 9C 1dxz 0.061387 -0.023901 -0.078847 0.047273 -0.003506 -0.039098 9C 1dyz 0.117179 0.170862 0.090849 -0.090743 0.002682 -0.015348 9C 1dx2y2 -0.025908 -0.047451 -0.019025 0.046948 0.079684 0.081471 9C 1dxy 0.056556 0.058115 -0.070647 -0.000912 0.008647 -0.015014 9C 2dz2 -0.469814 -0.555281 0.145080 0.271284 0.434944 0.550133 9C 2dxz 0.096916 -0.239735 -0.362214 0.326406 -0.204377 -0.137517 9C 2dyz -0.509927 -0.864310 -0.269856 0.585394 0.229993 0.489715 9C 2dx2y2 0.200077 0.224390 -0.050958 -0.256295 -0.285244 -0.353301 9C 2dxy -0.090392 -0.152932 -0.235313 0.009682 -0.185028 -0.180460 9C 1f0 0.021782 0.098252 -0.046837 -0.063975 -0.052895 -0.060055 9C 1f+1 0.012426 0.183211 0.049643 -0.209506 0.009681 -0.027407 9C 1f-1 0.133511 0.271618 0.124444 -0.095993 -0.018518 -0.154963 9C 1f+2 -0.130074 -0.114734 -0.034746 0.093693 -0.034807 -0.027102 9C 1f-2 0.019962 0.028387 0.064950 0.029869 0.004616 0.012079 9C 1f+3 0.056222 0.027518 0.031859 -0.004641 0.005268 -0.022992 9C 1f-3 0.069616 0.053224 0.041146 0.054723 -0.110945 -0.131062 10H 1s 0.004169 0.007379 -0.028052 0.002672 0.010648 0.040455 10H 2s -0.329931 -0.456214 -0.293211 -0.038109 0.329560 0.307481 10H 3s 0.075721 0.106201 0.070173 0.018595 0.013916 0.149716 10H 1pz -0.054795 -0.072490 -0.135295 0.034998 0.113914 0.104297 10H 1px 0.199710 0.255389 0.029151 0.063844 -0.014835 0.020188 10H 1py -0.007537 -0.050146 -0.048736 -0.055946 0.108242 0.113352 11H 1s 0.072997 0.102772 0.012625 0.051844 0.036219 0.036637 11H 2s -0.354833 -0.735897 -0.110919 -0.597355 -0.054271 -0.069765 11H 3s 0.167315 0.272409 0.048465 0.095556 -0.065313 0.068709 11H 1pz -0.092336 -0.260057 0.024214 -0.256196 -0.046545 -0.042556 11H 1px -0.116117 -0.241255 -0.075797 -0.131177 -0.028477 -0.052023 11H 1py 0.190930 0.219388 0.131794 0.085550 -0.081419 -0.088296 12H 1s 0.044169 0.072982 0.040675 0.044471 0.014605 -0.003617 12H 2s -0.573025 -0.442974 -0.030358 -0.039484 -0.087081 0.067237 12H 3s 0.219425 0.091160 0.053283 -0.068876 -0.025211 0.021959 12H 1pz 0.061698 0.190045 0.165361 0.101502 -0.081098 -0.046253 12H 1px -0.089329 -0.057448 -0.008596 -0.049670 0.043695 0.061990 12H 1py -0.283086 -0.228581 -0.036486 -0.010821 -0.051873 -0.000139 13H 1s -0.051541 -0.007709 0.026392 0.011203 -0.038251 0.039809 13H 2s 0.373727 -0.398864 0.296960 0.094954 -0.254240 0.247535 13H 3s -0.099445 0.118773 -0.050448 -0.036546 -0.072878 0.139168 13H 1pz 0.171198 -0.156355 0.064239 0.082428 -0.086518 0.095205 13H 1px -0.196388 0.133124 -0.022470 -0.002088 -0.067243 0.087427 13H 1py 0.048583 0.058269 -0.120175 0.013619 0.105346 -0.067803 14H 1s -0.021238 0.028855 -0.048636 -0.064587 0.007350 0.003369 14H 2s 0.457212 -0.381728 -0.118794 -0.055097 0.044638 -0.168346 14H 3s -0.091824 0.145550 0.031440 0.004989 0.074522 0.101404 14H 1pz 0.145632 -0.112074 -0.015342 -0.053867 0.083968 -0.108435 14H 1px 0.181178 -0.178350 -0.006829 0.044185 -0.034006 -0.016222 14H 1py 0.103193 -0.104328 0.171834 0.138614 -0.032031 0.021652 15H 1s -0.103492 0.068275 -0.013380 -0.049731 -0.069209 0.042299 15H 2s 0.615388 -0.294525 0.237568 0.545725 0.234883 -0.097528 15H 3s -0.278689 0.187924 -0.082935 -0.064568 -0.017526 0.057078 15H 1pz -0.225529 0.226534 -0.120822 -0.115504 0.019435 0.020229 15H 1px 0.054861 0.014972 0.027271 0.007836 0.110405 -0.097649 15H 1py -0.285300 0.081172 -0.065914 -0.263677 -0.116325 0.031103 16H 1s -0.016450 0.009217 -0.005619 0.026952 -0.009217 -0.015821 16H 2s 0.150095 -0.185687 0.141593 -0.117097 -0.041240 -0.163080 16H 3s -0.027460 -0.003214 -0.032753 0.022708 -0.002756 0.041874 16H 1pz 0.036998 -0.072849 0.070773 -0.029614 -0.025243 -0.069583 16H 1px 0.016584 0.001240 -0.011895 0.015342 0.007299 0.007183 16H 1py 0.004971 -0.005261 0.030946 -0.019738 -0.008689 -0.016500 17H 1s -0.029189 -0.014384 0.024588 -0.007799 -0.006446 -0.007266 17H 2s 0.161228 -0.200305 -0.172847 0.169338 0.078017 -0.117425 17H 3s -0.004753 0.034999 0.024608 -0.035496 -0.026604 0.053749 17H 1pz -0.038801 0.067799 0.028559 -0.040818 -0.011082 0.042623 17H 1px -0.021945 0.039968 0.060961 -0.041001 -0.022127 0.035091 17H 1py 0.015070 -0.032623 -0.045088 0.028829 0.018554 -0.013026 18H 1s -0.008206 0.015185 -0.023502 -0.007178 -0.005755 -0.007695 18H 2s 0.143311 0.192103 0.163006 0.152767 0.073463 -0.121356 18H 3s 0.002452 -0.035231 -0.025023 -0.035587 -0.024778 0.058572 18H 1pz 0.035855 0.066893 0.026622 0.038110 0.010435 -0.045437 18H 1px 0.032556 0.038221 0.059011 0.035813 0.021077 -0.035636 18H 1py -0.003587 -0.030525 -0.043684 -0.024831 -0.017496 0.012161 19H 1s -0.024612 -0.007809 0.006724 0.027517 -0.009396 -0.017116 19H 2s 0.230973 0.171314 -0.154922 -0.123992 -0.043909 -0.167622 19H 3s -0.016301 0.004937 0.033189 0.020505 -0.003952 0.044839 19H 1pz -0.079058 -0.067907 0.075054 0.031629 0.026192 0.071096 19H 1px 0.007168 0.001331 -0.012207 -0.016129 -0.007660 -0.007389 19H 1py -0.019029 -0.005904 0.032472 0.020459 0.009009 0.019079 20H 1s 0.091877 -0.068623 0.012786 -0.051246 -0.069398 0.042930 20H 2s -0.720019 0.304915 -0.229558 0.553249 0.233630 -0.090830 20H 3s 0.238665 -0.186466 0.082401 -0.067298 -0.017851 0.056489 20H 1pz -0.250670 0.228872 -0.120876 0.117568 -0.020138 -0.016654 20H 1px 0.048240 0.012444 0.026475 -0.011479 -0.108892 0.095515 20H 1py -0.308841 0.084327 -0.061972 0.267394 0.116275 -0.029929 21H 1s 0.054197 -0.030413 0.047574 -0.064875 0.005997 0.003808 21H 2s -0.624197 0.390567 0.118116 -0.047788 0.034198 -0.165202 21H 3s 0.156724 -0.148298 -0.030089 0.005617 0.077746 0.099696 21H 1pz 0.184449 -0.115282 -0.015917 0.049957 -0.080240 0.107736 21H 1px 0.246672 -0.180599 -0.007085 -0.045450 0.036452 0.014699 21H 1py 0.085671 -0.104765 0.172024 -0.139560 0.029024 -0.023106 22H 1s 0.043572 0.007970 -0.026706 0.010579 -0.036443 0.038732 22H 2s -0.292973 0.391903 -0.300636 0.096411 -0.248154 0.245168 22H 3s 0.088171 -0.119097 0.047791 -0.038011 -0.074355 0.139854 22H 1pz 0.137062 -0.153303 0.065496 -0.082918 0.084141 -0.093717 22H 1px -0.223283 0.134260 -0.021219 0.005037 0.065252 -0.086437 22H 1py 0.059248 0.057867 -0.121464 -0.014786 -0.103358 0.068609 23H 1s -0.003400 -0.074549 -0.039498 0.047528 0.016210 -0.002788 23H 2s 0.453447 0.456903 0.044339 -0.061697 -0.072470 0.078942 23H 3s -0.158618 -0.096937 -0.056717 -0.064578 -0.027760 0.020032 23H 1pz -0.022003 0.190140 0.166377 -0.105916 0.078009 0.046102 23H 1px -0.053298 -0.055838 -0.011462 0.050644 -0.042787 -0.059761 23H 1py -0.227809 -0.235076 -0.040650 0.022225 0.044823 -0.006588 24H 1s -0.075112 -0.102026 -0.013446 0.053949 0.034300 0.036469 24H 2s 0.214339 0.730218 0.110333 -0.613993 -0.048837 -0.061123 24H 3s -0.149009 -0.269417 -0.049246 0.102085 -0.067161 0.068580 24H 1pz -0.073724 -0.254242 0.026880 0.259678 0.045874 0.043102 24H 1px -0.073975 -0.243789 -0.077203 0.139841 0.023984 0.044712 24H 1py 0.102601 0.218774 0.135779 -0.089069 0.081130 0.088061 25H 1s -0.032778 -0.005863 0.027714 0.002348 0.009416 0.038155 25H 2s 0.199149 0.456539 0.297880 -0.050749 0.324613 0.306392 25H 3s -0.007362 -0.107328 -0.070474 0.017505 0.016924 0.151574 25H 1pz 0.003097 -0.076172 -0.136257 -0.030835 -0.112275 -0.106322 25H 1px 0.168434 0.255622 0.030612 -0.070524 0.016759 -0.019799 25H 1py 0.008213 -0.045091 -0.051419 0.054712 -0.104752 -0.108822 26O 1s 0.012716 0.001891 -0.002309 -0.021853 0.018134 -0.001782 26O 2s 0.044555 0.006472 -0.008918 -0.077382 0.065364 -0.003647 26O 3s -0.368132 -0.042941 0.150489 0.667650 -0.581337 -0.079480 26O 4s 0.817625 -0.103666 -1.102033 -1.795057 1.797595 0.841034 26O 5s -0.184517 -0.384411 -0.829745 -0.071012 -1.147529 0.691946 26O 1pz -0.061203 -0.065071 -0.078964 0.046894 0.096368 0.064799 26O 1px 0.026327 -0.050533 -0.187267 -0.072364 -0.027741 0.077648 26O 1py -0.086576 0.019506 -0.077226 0.127515 -0.016623 0.071324 26O 2pz 0.142301 0.200694 0.171458 0.013710 -0.186022 -0.109369 26O 2px -0.220759 0.157906 0.841155 0.564041 -0.371655 -0.654621 26O 2py 0.133997 -0.009629 0.326979 -0.103669 -0.100896 -0.328439 26O 3pz -0.248841 -0.066983 -0.141634 0.013370 0.010098 0.509744 26O 3px -0.209864 0.236484 0.179408 0.085304 0.057289 0.204060 26O 3py -0.202978 -0.024442 0.017938 0.166591 0.026101 0.370950 26O 1dz2 -0.001972 0.003976 0.008365 0.003097 0.000782 -0.001606 26O 1dxz -0.004705 -0.002053 -0.007947 0.000477 0.004430 0.003043 26O 1dyz -0.001378 0.001393 0.004065 0.009427 -0.003141 0.001211 26O 1dx2y2 0.002944 0.002416 -0.004410 0.000037 -0.002530 0.000249 26O 1dxy 0.002096 -0.002862 -0.007658 -0.002781 0.002910 0.000608 26O 2dz2 -0.016419 0.013894 0.079511 0.014083 0.000743 -0.030971 26O 2dxz 0.028091 -0.024622 -0.030257 -0.055958 0.116760 0.050434 26O 2dyz 0.004634 0.030260 0.103715 0.066942 -0.018587 -0.011133 26O 2dx2y2 0.053504 -0.089307 -0.036491 -0.151625 -0.018478 0.003301 26O 2dxy -0.007507 0.088879 0.013598 0.112856 -0.038414 0.039836 26O 1f0 -0.015186 -0.012787 0.010595 -0.004691 -0.023173 -0.020523 26O 1f+1 0.004790 -0.006770 -0.003200 -0.017065 0.011282 0.014010 26O 1f-1 0.007467 -0.000088 0.004901 -0.009046 0.004128 -0.001703 26O 1f+2 0.020639 0.011665 -0.020506 0.001126 0.025006 0.030581 26O 1f-2 0.001200 0.011013 0.004359 0.016580 0.012978 0.016567 26O 1f+3 0.010804 0.025262 -0.014294 0.019313 0.023505 0.029026 26O 1f-3 0.008955 0.002041 -0.011573 -0.014875 0.014652 0.013527 27O 1s -0.006468 0.002751 -0.003222 0.011063 -0.012859 -0.004970 27O 2s -0.022782 0.008543 -0.010294 0.040285 -0.047458 -0.014921 27O 3s 0.194150 -0.044770 -0.001505 -0.427881 0.454088 0.029343 27O 4s -0.420137 -0.176640 0.756053 1.672883 -1.548999 0.402610 27O 5s 0.068384 -0.080746 1.003092 1.158990 0.944199 0.581579 27O 1pz 0.023128 -0.027666 -0.044990 -0.157051 -0.043393 -0.038263 27O 1px -0.032185 -0.017828 0.192500 0.145653 0.044864 0.021061 27O 1py -0.086616 0.065608 -0.096591 0.041306 0.054759 -0.050653 27O 2pz -0.057450 0.043777 0.148759 0.382411 0.030555 0.151204 27O 2px 0.176516 0.113452 -0.829075 -0.934332 0.369778 -0.422628 27O 2py 0.235340 -0.162625 0.268926 0.100775 -0.134646 0.133489 27O 3pz 0.197258 -0.047787 0.124105 0.028682 -0.008042 0.162816 27O 3px 0.028543 -0.022773 -0.182667 -0.120282 -0.126388 0.125971 27O 3py -0.039719 0.100198 -0.111817 -0.091837 0.037602 -0.366498 27O 1dz2 -0.000563 0.000706 -0.002063 -0.001480 -0.003713 -0.003094 27O 1dxz 0.007532 -0.002779 -0.000144 0.000544 -0.001652 -0.000491 27O 1dyz -0.000268 -0.005294 0.005388 0.007694 -0.001584 -0.002061 27O 1dx2y2 -0.003075 0.000369 0.009606 0.010181 0.002513 -0.003293 27O 1dxy -0.001129 0.003039 -0.005494 -0.001800 0.004412 0.001605 27O 2dz2 0.018134 -0.026807 0.010801 -0.013442 -0.015283 -0.040994 27O 2dxz -0.075989 0.004191 -0.094656 -0.191829 -0.064697 -0.042029 27O 2dyz 0.022022 -0.033300 0.124877 0.128363 -0.041961 0.013994 27O 2dx2y2 -0.049385 0.021414 0.067483 0.060009 0.023827 0.007133 27O 2dxy -0.048857 0.007198 -0.015433 -0.012481 0.058928 -0.081036 27O 1f0 0.019645 -0.005608 -0.003538 0.011717 0.021359 -0.012703 27O 1f+1 -0.009909 -0.002527 0.005543 0.006549 -0.014432 0.008745 27O 1f-1 -0.001172 0.001261 -0.001854 -0.005766 -0.007552 0.004676 27O 1f+2 -0.017539 0.003481 0.013307 -0.005948 -0.023531 0.018262 27O 1f-2 -0.010237 0.007293 0.017361 0.011565 -0.008226 0.006674 27O 1f+3 -0.006546 0.005109 0.012736 0.019545 -0.027584 0.029351 27O 1f-3 -0.020268 0.008759 0.009009 -0.022896 -0.024121 0.026059 28O 1s 0.001166 0.008550 -0.012038 0.011153 -0.017217 -0.026191 28O 2s 0.004110 0.029975 -0.042580 0.039322 -0.060225 -0.092473 28O 3s -0.015442 -0.196893 0.291185 -0.265871 0.530941 0.790607 28O 4s -0.237929 0.073321 -0.197834 0.341864 -1.542098 -2.219840 28O 5s -0.337378 -1.169802 1.397406 -1.729701 -0.459838 0.582696 28O 1pz -0.020957 -0.008977 0.039242 -0.025624 0.128828 0.210059 28O 1px -0.002753 0.022626 -0.351522 0.102400 0.258886 0.209114 28O 1py 0.036518 -0.037268 -0.129602 -0.052678 0.200680 0.174871 28O 2pz 0.148020 0.194480 -0.168150 0.223864 0.021078 -0.116505 28O 2px -0.104028 -0.192512 0.924402 -0.292232 -0.908660 -0.865342 28O 2py -0.089356 0.123563 0.291670 0.145463 -0.398638 -0.320744 28O 3pz 0.004607 0.058408 0.018246 0.086781 -0.017645 0.359125 28O 3px -0.094326 -0.188151 0.149156 -0.083062 -0.041981 -0.048485 28O 3py -0.069639 -0.158755 0.119951 -0.111173 -0.041250 0.197217 28O 1dz2 -0.005134 -0.006682 -0.007079 -0.003154 0.005179 0.005930 28O 1dxz 0.001549 0.004405 -0.010115 0.003599 0.006632 0.008303 28O 1dyz -0.001927 -0.005406 -0.003327 -0.003140 0.005628 0.007951 28O 1dx2y2 -0.000870 0.006707 0.010738 0.000958 -0.013663 -0.004467 28O 1dxy 0.005442 0.001924 0.003809 0.000382 -0.002216 -0.002642 28O 2dz2 -0.040573 0.000720 -0.146827 0.005517 0.106051 0.166674 28O 2dxz 0.002548 0.004369 -0.089649 0.035609 0.045395 0.014661 28O 2dyz 0.051181 -0.034464 -0.177791 -0.019666 0.109517 0.114387 28O 2dx2y2 0.022259 -0.008873 0.157995 -0.048237 -0.124791 -0.111302 28O 2dxy -0.055028 0.013013 0.067235 0.021454 -0.067134 -0.015485 28O 1f0 -0.000532 -0.003168 0.004127 0.002605 -0.002922 -0.002696 28O 1f+1 -0.004105 -0.038859 -0.028724 -0.042010 -0.002969 -0.018082 28O 1f-1 -0.004374 -0.009083 -0.013599 -0.000536 0.002432 -0.000065 28O 1f+2 0.007407 0.005415 0.000422 -0.000467 0.016406 0.015869 28O 1f-2 -0.006279 0.000094 -0.002570 0.001297 -0.006209 -0.009413 28O 1f+3 -0.000488 -0.017251 -0.016757 -0.020092 0.005803 0.002071 28O 1f-3 -0.013547 -0.010494 -0.028946 -0.003288 0.004413 0.010153 29O 1s 0.003696 -0.009248 -0.000499 0.000233 0.001420 0.000634 29O 2s 0.012287 -0.030975 -0.001870 0.000660 0.005176 0.002178 29O 3s -0.073748 0.197760 0.014834 -0.001519 -0.041374 -0.024094 29O 4s 0.100938 -0.311953 -0.026605 0.020090 0.091763 -0.058660 29O 5s -0.283300 0.615626 0.035704 -0.134873 -0.152164 0.649852 29O 1pz -0.017911 0.019538 -0.008260 -0.003354 0.009426 -0.013318 29O 1px 0.021812 -0.065713 0.009103 0.002419 -0.001027 0.043574 29O 1py 0.021300 0.022108 0.000501 -0.008672 -0.004407 0.043837 29O 2pz 0.036515 -0.053997 0.118939 -0.049819 -0.051471 -0.010684 29O 2px -0.070941 0.178427 0.023142 -0.038914 -0.017279 -0.022668 29O 2py -0.009748 -0.100604 -0.008698 0.031181 0.014295 -0.130013 29O 3pz 0.030826 0.054406 0.035438 -0.140142 -0.042260 0.022643 29O 3px 0.028663 -0.145659 0.022256 -0.005782 0.044646 -0.217183 29O 3py 0.185771 -0.105190 -0.024592 0.041224 0.008188 -0.059492 29O 1dz2 0.000484 -0.001345 0.003031 -0.002046 -0.001540 -0.004460 29O 1dxz -0.001428 -0.000839 -0.000793 0.003727 0.001672 -0.002823 29O 1dyz 0.000304 0.000387 0.005299 -0.000486 -0.002452 0.000411 29O 1dx2y2 -0.000554 0.001998 0.000948 0.000910 -0.001419 0.006259 29O 1dxy -0.001716 0.000902 0.003565 -0.001893 0.000693 0.001615 29O 2dz2 -0.001660 0.013823 -0.020557 0.007643 0.009194 0.008323 29O 2dxz -0.011135 0.024549 0.025161 -0.001362 -0.003484 -0.006622 29O 2dyz -0.001895 0.005223 -0.045005 0.035987 0.019246 0.016822 29O 2dx2y2 0.002488 -0.002241 0.010133 0.000415 -0.012424 0.026190 29O 2dxy 0.006058 -0.042893 -0.007872 0.020669 0.008275 -0.013988 29O 1f0 0.003515 -0.004219 -0.002841 0.000295 0.001831 0.000780 29O 1f+1 -0.000617 0.001917 -0.000726 -0.000196 -0.000105 0.000029 29O 1f-1 0.004395 -0.003242 0.001451 -0.003315 0.001267 0.000314 29O 1f+2 -0.000233 0.000540 -0.001231 0.002425 0.000607 -0.000784 29O 1f-2 0.006206 0.001353 -0.003857 0.002240 -0.000808 -0.000361 29O 1f+3 0.001588 -0.001132 0.000395 -0.000599 0.000214 -0.004047 29O 1f-3 -0.002933 -0.000899 0.001445 0.000122 -0.001721 0.001171 30O 1s -0.008862 0.002104 0.010487 0.004577 0.017205 -0.025171 30O 2s -0.029492 0.007831 0.037279 0.015276 0.060913 -0.089406 30O 3s 0.165554 -0.075266 -0.255653 -0.115114 -0.556602 0.778900 30O 4s 0.164107 0.112220 0.147991 0.149431 1.700082 -2.221816 30O 5s 1.167446 0.139284 -1.160531 0.422810 0.620416 0.646058 30O 1pz 0.005784 -0.012104 -0.017941 0.011997 -0.068715 0.136580 30O 1px -0.087012 -0.129128 0.313949 0.065150 -0.298570 0.151040 30O 1py 0.024420 0.079279 0.058086 0.030029 0.211476 -0.174378 30O 2pz -0.165513 0.010604 0.090512 -0.035147 -0.125780 -0.008353 30O 2px 0.377265 0.303726 -0.824067 -0.203459 1.019879 -0.706852 30O 2py 0.114349 -0.171027 -0.168552 0.034225 -0.154625 0.067004 30O 3pz -0.176818 -0.112723 0.023679 -0.270598 -0.146406 0.401478 30O 3px 0.299607 0.018513 -0.152763 0.114080 0.168530 -0.016541 30O 3py 0.231420 0.178157 0.068267 0.431359 0.228636 -0.497924 30O 1dz2 0.001453 -0.002939 0.004667 0.001510 -0.004537 0.001891 30O 1dxz 0.001956 -0.001551 0.011117 -0.000850 -0.002917 0.002957 30O 1dyz -0.001761 0.003843 -0.000236 0.001392 0.002176 -0.005362 30O 1dx2y2 -0.002346 0.009489 -0.009348 -0.004476 0.012388 -0.002135 30O 1dxy 0.005793 -0.000682 -0.005330 -0.001993 0.007869 -0.002194 30O 2dz2 -0.017050 -0.017411 0.092097 0.006372 -0.045121 0.041353 30O 2dxz -0.045385 -0.061453 0.057167 -0.015563 -0.087772 0.028434 30O 2dyz 0.034133 0.018473 -0.128039 -0.025234 0.079331 -0.092788 30O 2dx2y2 0.046813 0.085220 -0.165318 -0.042886 0.188069 -0.100266 30O 2dxy 0.036809 0.019258 -0.108858 -0.003525 0.047727 -0.044275 30O 1f0 -0.004387 0.004036 -0.007943 -0.008859 0.003740 -0.004102 30O 1f+1 -0.002498 -0.011602 0.011079 0.007449 -0.009893 -0.005986 30O 1f-1 0.006674 0.003185 -0.005911 0.002692 0.003969 -0.005021 30O 1f+2 0.010742 -0.005376 0.011650 0.027458 0.002372 0.001646 30O 1f-2 -0.011042 0.001257 -0.002885 -0.010080 -0.021201 0.029384 30O 1f+3 0.018343 -0.020946 0.036998 0.041440 0.009761 -0.012848 30O 1f-3 -0.017161 0.003748 -0.012098 -0.009549 -0.013084 0.005804 31O 1s 0.016639 -0.002130 -0.010153 0.004467 0.017479 -0.025256 31O 2s 0.057429 -0.007931 -0.036110 0.014922 0.061801 -0.089582 31O 3s -0.359830 0.074100 0.245136 -0.114288 -0.560640 0.777478 31O 4s 0.075317 -0.098789 -0.118256 0.158238 1.689793 -2.207403 31O 5s -2.218369 -0.107471 1.180256 0.460782 0.580850 0.649302 31O 1pz 0.020781 -0.011677 -0.016708 -0.011245 0.066545 -0.134518 31O 1px -0.186872 -0.126326 0.318604 -0.059597 0.293609 -0.158686 31O 1py -0.033571 0.080145 0.053780 -0.034264 -0.213376 0.176746 31O 2pz -0.242615 0.014861 0.093263 0.038162 0.125240 0.008559 31O 2px 0.672912 0.291003 -0.840307 0.184275 -0.999631 0.717850 31O 2py 0.331924 -0.180777 -0.166535 -0.029949 0.164895 -0.078297 31O 3pz 0.052427 -0.117372 0.026261 0.272763 0.143029 -0.388545 31O 3px 0.381369 0.018045 -0.157963 -0.120589 -0.161698 0.010088 31O 3py 0.075491 0.180847 0.059990 -0.437112 -0.225611 0.485221 31O 1dz2 -0.000503 0.002861 -0.004671 0.001359 -0.004568 0.002011 31O 1dxz 0.004072 0.001407 -0.011221 -0.000872 -0.002801 0.003164 31O 1dyz 0.006412 -0.003976 0.000233 0.001300 0.002147 -0.005191 31O 1dx2y2 0.003494 -0.009641 0.009490 -0.004378 0.012309 -0.002446 31O 1dxy -0.004813 0.000543 0.005362 -0.001914 0.007793 -0.002461 31O 2dz2 0.076777 0.015054 -0.093322 0.005331 -0.041074 0.041417 31O 2dxz 0.026538 0.061790 -0.058381 -0.018048 -0.088108 0.029586 31O 2dyz -0.013655 -0.019715 0.128445 -0.025955 0.077717 -0.095259 31O 2dx2y2 -0.061386 -0.086047 0.168169 -0.039988 0.186744 -0.105317 31O 2dxy -0.081578 -0.017621 0.110183 -0.003709 0.042909 -0.042783 31O 1f0 0.001097 0.003885 -0.008131 0.008945 -0.003494 0.004001 31O 1f+1 0.004688 -0.012052 0.010988 -0.007058 0.010064 0.005459 31O 1f-1 0.004042 0.003220 -0.006016 -0.002675 -0.003628 0.004862 31O 1f+2 0.007832 -0.005419 0.011513 -0.027517 -0.002754 -0.001586 31O 1f-2 -0.016257 0.001853 -0.002365 0.010522 0.020756 -0.028759 31O 1f+3 0.021584 -0.021374 0.036432 -0.041803 -0.010416 0.012181 31O 1f-3 -0.014336 0.003966 -0.012003 0.010140 0.013113 -0.005425 32O 1s 0.008344 0.008806 0.000179 -0.000015 0.001384 0.000293 32O 2s 0.028083 0.029482 0.000829 -0.000129 0.005076 0.001025 32O 3s -0.180799 -0.188034 -0.009011 0.002409 -0.041217 -0.016253 32O 4s 0.276289 0.295947 0.020121 0.015849 0.092265 -0.073306 32O 5s -0.520289 -0.582163 -0.015770 -0.112368 -0.146796 0.677475 32O 1pz 0.009894 0.018074 -0.008957 0.003510 -0.009228 0.012885 32O 1px -0.039698 -0.064417 0.011112 -0.001893 0.001161 -0.040576 32O 1py 0.016672 0.021344 0.000147 0.008313 0.003948 -0.046008 32O 2pz -0.062209 -0.046903 0.122372 0.048647 0.051056 0.010967 32O 2px 0.107494 0.174535 0.016712 0.033700 0.015767 0.014858 32O 2py -0.076317 -0.096488 -0.002248 -0.024950 -0.011291 0.136073 32O 3pz 0.003452 0.056274 0.038115 0.137989 0.043582 -0.026041 32O 3px -0.101594 -0.138028 0.024091 0.006046 -0.043964 0.228455 32O 3py -0.116897 -0.097560 -0.016003 -0.033221 -0.006396 0.060068 32O 1dz2 0.000655 0.001331 -0.003124 -0.002029 -0.001561 -0.004582 32O 1dxz 0.000274 0.000842 0.000862 0.003599 0.001665 -0.002902 32O 1dyz 0.001697 -0.000475 -0.005394 -0.000376 -0.002407 0.000384 32O 1dx2y2 -0.000879 -0.001886 -0.000921 0.000955 -0.001397 0.006280 32O 1dxy -0.001852 -0.000861 -0.003475 -0.001737 0.000730 0.001619 32O 2dz2 -0.022086 -0.012646 0.018560 0.007243 0.008250 0.008183 32O 2dxz -0.008683 -0.025044 -0.025482 -0.000453 -0.003605 -0.006593 32O 2dyz -0.014324 -0.004601 0.046865 0.035382 0.019843 0.018293 32O 2dx2y2 0.010214 0.001555 -0.012649 -0.001064 -0.013236 0.026224 32O 2dxy 0.013572 0.041638 0.005347 0.017909 0.007276 -0.015122 32O 1f0 -0.004827 -0.003737 -0.002749 -0.000180 -0.001732 -0.000903 32O 1f+1 0.003042 0.001767 -0.000633 0.000146 0.000138 -0.000082 32O 1f-1 -0.005458 -0.003134 0.001566 0.003377 -0.001326 -0.000405 32O 1f+2 0.002687 0.000465 -0.001260 -0.002528 -0.000510 0.000749 32O 1f-2 -0.001383 0.001631 -0.003714 -0.002260 0.000888 0.000268 32O 1f+3 -0.001020 -0.001005 0.000210 0.000528 -0.000269 0.004052 32O 1f-3 -0.000439 -0.001018 0.001353 -0.000161 0.001634 -0.001119 33O 1s -0.022340 -0.007858 0.012173 0.011888 -0.017604 -0.026627 33O 2s -0.076629 -0.027634 0.043016 0.041870 -0.061518 -0.093824 33O 3s 0.526006 0.179833 -0.292716 -0.284140 0.538052 0.797169 33O 4s -0.522725 -0.040872 0.191113 0.370639 -1.537580 -2.218562 33O 5s 1.654143 1.131325 -1.427086 -1.788906 -0.405033 0.614779 33O 1pz -0.083445 -0.007705 0.036205 0.024883 -0.128901 -0.208302 33O 1px 0.189733 0.019739 -0.359397 -0.102284 -0.253358 -0.214937 33O 1py 0.071404 -0.036090 -0.131339 0.053808 -0.195885 -0.175204 33O 2pz 0.301751 0.192227 -0.166204 -0.225602 -0.012178 0.121703 33O 2px -0.593223 -0.189078 0.947041 0.296609 0.886206 0.869254 33O 2py -0.149574 0.121404 0.294529 -0.148933 0.388087 0.322816 33O 3pz -0.303511 0.055967 0.024426 -0.087411 0.023466 -0.336899 33O 3px -0.076745 -0.186636 0.148724 0.089944 0.033630 0.037038 33O 3py -0.158722 -0.158468 0.122296 0.116010 0.039267 -0.190942 33O 1dz2 0.001926 0.006756 0.007246 -0.003352 0.005173 0.005992 33O 1dxz -0.004651 -0.004406 0.010186 0.003558 0.006527 0.008707 33O 1dyz -0.001026 0.005673 0.003480 -0.003482 0.005625 0.007929 33O 1dx2y2 0.002461 -0.006579 -0.010953 0.001151 -0.013571 -0.004894 33O 1dxy -0.001653 -0.002003 -0.003877 0.000399 -0.002184 -0.002572 33O 2dz2 -0.031579 0.000414 0.151726 0.004750 0.105805 0.170720 33O 2dxz -0.051356 -0.002556 0.090255 0.035567 0.041712 0.011563 33O 2dyz -0.093966 0.036256 0.178722 -0.023655 0.105651 0.116310 33O 2dx2y2 0.060324 0.006708 -0.162343 -0.048568 -0.122229 -0.112861 33O 2dxy 0.047839 -0.011883 -0.066194 0.021768 -0.063770 -0.015858 33O 1f0 -0.003476 -0.003220 0.004026 -0.002351 0.002666 0.002525 33O 1f+1 0.006052 -0.038170 -0.028454 0.042891 0.003191 0.017505 33O 1f-1 0.000585 -0.009309 -0.013645 0.001173 -0.002312 -0.000154 33O 1f+2 0.004502 0.005896 0.000316 -0.000120 -0.015920 -0.015086 33O 1f-2 -0.004993 -0.000282 -0.002748 -0.001067 0.005813 0.008987 33O 1f+3 0.003607 -0.016632 -0.016901 0.020518 -0.005478 -0.002150 33O 1f-3 -0.001636 -0.011182 -0.029421 0.003877 -0.004302 -0.010705 34O 1s -0.006631 -0.002320 0.003211 0.011078 -0.013165 -0.004066 34O 2s -0.022597 -0.007020 0.010234 0.040240 -0.048499 -0.011740 34O 3s 0.139024 0.032388 0.002015 -0.424614 0.460159 0.003385 34O 4s -0.140343 0.204800 -0.758396 1.651515 -1.546933 0.469047 34O 5s 0.469087 0.078283 -0.980427 1.142405 0.985283 0.541377 34O 1pz 0.024795 -0.027997 -0.042413 0.156588 0.048291 0.036515 34O 1px -0.110815 -0.017892 0.190886 -0.145894 -0.049258 -0.020769 34O 1py -0.032535 0.063057 -0.098588 -0.039085 -0.055251 0.053335 34O 2pz -0.108017 0.045517 0.144552 -0.380937 -0.042673 -0.148438 34O 2px 0.325500 0.118713 -0.825354 0.922493 -0.351231 0.432849 34O 2py 0.117351 -0.158834 0.271566 -0.104000 0.134319 -0.141691 34O 3pz -0.014019 -0.042067 0.126910 -0.028666 0.006035 -0.160835 34O 3px -0.138504 -0.022367 -0.177473 0.121310 0.131277 -0.139636 34O 3py 0.020100 0.100453 -0.112386 0.089268 -0.035662 0.370783 34O 1dz2 -0.003043 -0.000633 0.001970 -0.001538 -0.003816 -0.003155 34O 1dxz -0.004807 0.002740 0.000044 0.000604 -0.001724 -0.000243 34O 1dyz -0.000653 0.005496 -0.005337 0.007630 -0.001552 -0.001792 34O 1dx2y2 0.002451 -0.000222 -0.009472 0.010282 0.002698 -0.003136 34O 1dxy 0.003050 -0.003096 0.005541 -0.001768 0.004400 0.001374 34O 2dz2 -0.016606 0.026534 -0.011614 -0.012580 -0.015847 -0.039624 34O 2dxz 0.025030 -0.003108 0.092128 -0.194490 -0.070118 -0.039224 34O 2dyz -0.001365 0.034062 -0.124528 0.129319 -0.039928 0.016168 34O 2dx2y2 0.042913 -0.019776 -0.066286 0.059418 0.025892 0.005378 34O 2dxy -0.004238 -0.004274 0.016746 -0.011471 0.058380 -0.083179 34O 1f0 0.023079 -0.005922 -0.003992 -0.012262 -0.021353 0.012759 34O 1f+1 -0.007433 -0.002702 0.005486 -0.005994 0.014223 -0.009176 34O 1f-1 0.001837 0.001247 -0.001747 0.005694 0.007716 -0.004770 34O 1f+2 -0.020774 0.003533 0.013806 0.006213 0.023556 -0.018731 34O 1f-2 -0.009125 0.007099 0.017277 -0.011592 0.007869 -0.007177 34O 1f+3 -0.007413 0.005222 0.012908 -0.019116 0.027156 -0.029542 34O 1f-3 -0.028854 0.009268 0.009587 0.022838 0.023837 -0.026078 35O 1s 0.002096 -0.002656 0.002438 -0.022092 0.018434 -0.000823 35O 2s 0.006737 -0.009196 0.009390 -0.078115 0.066355 -0.000315 35O 3s 0.031243 0.065642 -0.155414 0.670320 -0.586083 -0.104932 35O 4s -0.544321 0.047739 1.123902 -1.793131 1.787855 0.897999 35O 5s -1.471390 0.422317 0.830591 -0.036999 -1.193604 0.627558 35O 1pz -0.062648 -0.065637 -0.080078 -0.041841 -0.096063 -0.066831 35O 1px 0.203800 -0.052720 -0.186777 0.074485 0.033299 -0.075365 35O 1py -0.019964 0.013318 -0.081476 -0.124274 0.013540 -0.077116 35O 2pz 0.123108 0.199794 0.173094 -0.023337 0.184926 0.112963 35O 2px -0.828651 0.152761 0.847946 -0.558609 0.346784 0.652360 35O 2py -0.126005 0.000737 0.339434 0.100700 0.103690 0.343318 35O 3pz 0.114621 -0.080212 -0.146381 -0.003581 -0.007684 -0.514394 35O 3px -0.070385 0.227675 0.177261 -0.076765 -0.064629 -0.220683 35O 3py -0.030741 -0.035869 0.013014 -0.154331 -0.028889 -0.382885 35O 1dz2 0.005029 -0.004015 -0.008371 0.003283 0.000884 -0.001879 35O 1dxz -0.000458 0.002173 0.008186 0.000411 0.004405 0.003304 35O 1dyz -0.001015 -0.001232 -0.004068 0.009473 -0.003122 0.001151 35O 1dx2y2 -0.004992 -0.002345 0.004290 -0.000025 -0.002616 0.000270 35O 1dxy -0.004165 0.002871 0.007817 -0.002925 0.002789 0.000635 35O 2dz2 0.049448 -0.014023 -0.079422 0.013287 0.002146 -0.031286 35O 2dxz -0.005694 0.020594 0.030316 -0.055706 0.114590 0.050371 35O 2dyz 0.021670 -0.029583 -0.104460 0.068959 -0.017894 -0.013100 35O 2dx2y2 -0.099068 0.085927 0.033584 -0.150571 -0.024174 -0.003930 35O 2dxy -0.022881 -0.085182 -0.011462 0.115980 -0.035905 0.042018 35O 1f0 -0.012967 -0.012909 0.010686 0.004423 0.022764 0.020780 35O 1f+1 0.010786 -0.006088 -0.003369 0.016717 -0.010958 -0.013819 35O 1f-1 0.004807 0.000458 0.005004 0.008552 -0.003788 0.002233 35O 1f+2 0.024591 0.011846 -0.020769 -0.000846 -0.024462 -0.031092 35O 1f-2 -0.002483 0.010771 0.004063 -0.016653 -0.013052 -0.016383 35O 1f+3 0.009196 0.025295 -0.014797 -0.019750 -0.023457 -0.029826 35O 1f-3 0.014558 0.002237 -0.011833 0.014193 -0.014137 -0.013491 516 517 518 519 520 521 3.26912 3.27241 3.27813 3.28239 3.28749 3.29334 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s -0.000248 -0.000566 -0.000369 -0.000446 0.000117 0.001116 0Rh 2s 0.003374 0.007177 0.003310 0.003156 0.001427 -0.005022 0Rh 3s 0.000562 0.000976 -0.000190 -0.000735 0.001561 0.003593 0Rh 4s -0.018478 -0.038830 -0.017690 -0.016928 -0.007531 0.027341 0Rh 5s 0.049673 0.096948 0.037069 0.032886 0.024877 -0.043284 0Rh 6s -0.095812 -0.153025 -0.027998 -0.014023 -0.058035 -0.021597 0Rh 7s 0.769366 1.002177 0.254743 0.001831 0.391774 0.051182 0Rh 8s -0.062990 -0.089219 -0.115989 0.048064 -0.039825 -0.221895 0Rh 1pz 0.002357 -0.007665 0.000304 -0.001845 0.001074 -0.000794 0Rh 1px 0.002637 0.000136 0.000161 -0.000903 0.003979 -0.001800 0Rh 1py 0.003389 0.005982 0.001323 0.000864 -0.003368 0.002791 0Rh 2pz -0.009217 0.028735 -0.000762 0.007361 -0.003983 0.002822 0Rh 2px -0.009349 0.000508 -0.000430 0.003562 -0.014558 0.006613 0Rh 2py -0.012393 -0.022718 -0.004920 -0.003327 0.012539 -0.010876 0Rh 3pz 0.023442 -0.046566 -0.007459 -0.022095 0.005334 -0.000834 0Rh 3px 0.003046 -0.023690 -0.002457 -0.009555 0.015208 -0.008139 0Rh 3py 0.013120 0.042863 0.007190 0.007413 -0.018310 0.027211 0Rh 4pz -0.030392 -0.031324 0.042430 0.040508 0.009131 -0.021730 0Rh 4px 0.067595 0.107018 0.008756 0.012051 0.056467 -0.014274 0Rh 4py 0.044990 -0.000894 0.007946 -0.005806 -0.022291 -0.034509 0Rh 5pz 0.058608 0.127899 -0.096491 -0.078952 -0.014051 0.056061 0Rh 5px -0.186964 -0.259629 0.039906 -0.003698 -0.158445 -0.003165 0Rh 5py -0.106157 -0.047582 -0.018069 0.006165 0.060944 0.059717 0Rh 6pz 0.197656 -0.789432 0.111685 -0.117353 -0.008084 -0.111142 0Rh 6px 0.894118 0.827671 -1.857320 -0.561046 0.499994 1.116572 0Rh 6py -0.115530 0.340491 -0.008044 0.179226 -0.444364 0.286476 0Rh 1dz2 -0.017603 0.012331 -0.003329 0.002587 0.001408 0.021172 0Rh 1dxz -0.000438 0.010730 -0.024452 -0.003463 0.008706 0.019988 0Rh 1dyz 0.015610 -0.007821 -0.006882 -0.009692 0.002752 0.002009 0Rh 1dx2y2 -0.012692 -0.001205 0.025815 0.012475 -0.003323 -0.021794 0Rh 1dxy -0.000230 0.003956 0.007638 0.002293 -0.004099 -0.006712 0Rh 2dz2 -0.002113 0.002510 0.002321 -0.001388 0.000006 0.000733 0Rh 2dxz 0.000954 0.001934 -0.002861 0.000203 0.000569 0.000522 0Rh 2dyz 0.001368 -0.000578 0.002880 -0.006735 0.000601 0.000545 0Rh 2dx2y2 -0.002948 -0.001314 0.002308 0.000225 -0.000429 0.001598 0Rh 2dxy -0.000841 0.000486 0.001810 -0.002158 0.000025 0.000456 0Rh 3dz2 0.067484 -0.051890 0.000318 -0.002017 -0.004720 -0.073071 0Rh 3dxz -0.002795 -0.043845 0.093326 0.010472 -0.031141 -0.068103 0Rh 3dyz -0.056897 0.028098 0.009170 0.063006 -0.011783 -0.009102 0Rh 3dx2y2 0.054936 0.009763 -0.095287 -0.041920 0.012911 0.064313 0Rh 3dxy 0.004784 -0.015387 -0.033510 0.002451 0.013264 0.019918 0Rh 4dz2 -0.066145 0.060359 0.027071 -0.018957 0.004717 0.053137 0Rh 4dxz 0.011411 0.045671 -0.089027 -0.004410 0.023730 0.044334 0Rh 4dyz 0.041990 -0.020294 0.032965 -0.126216 0.014126 0.013577 0Rh 4dx2y2 -0.065272 -0.019579 0.085177 0.025667 -0.014520 -0.018008 0Rh 4dxy -0.015851 0.017548 0.044183 -0.030440 -0.005560 -0.004122 0Rh 5dz2 0.041574 -0.042102 -0.124860 0.118509 -0.022678 0.058226 0Rh 5dxz -0.015288 0.020082 -0.014976 -0.019986 0.031260 0.126894 0Rh 5dyz 0.094141 -0.039661 -0.187608 0.377852 -0.017346 -0.057962 0Rh 5dx2y2 0.019780 0.010229 0.044031 0.088327 0.034894 -0.212960 0Rh 5dxy 0.068214 -0.044293 -0.058171 0.158243 -0.043874 -0.101772 0Rh 1f0 -0.004730 -0.016428 -0.016438 0.008421 0.008491 0.007950 0Rh 1f+1 -0.000524 0.016725 0.001725 0.001730 0.007192 -0.007813 0Rh 1f-1 -0.010240 0.006677 -0.015562 0.014094 0.005785 -0.007424 0Rh 1f+2 0.009881 -0.037695 0.028318 0.003228 -0.001016 -0.056108 0Rh 1f-2 -0.022132 -0.012313 0.011614 -0.020192 0.003895 -0.022505 0Rh 1f+3 0.006471 0.032613 0.014572 0.021094 -0.006954 -0.002464 0Rh 1f-3 0.006835 -0.007529 -0.006379 0.015250 -0.002413 -0.035687 1Rh 1s -0.000240 -0.000563 0.000307 0.000420 0.000114 -0.001140 1Rh 2s 0.003347 0.007205 -0.002542 -0.003000 0.001507 0.005226 1Rh 3s 0.000592 0.001011 0.000283 0.000678 0.001589 -0.003610 1Rh 4s -0.018331 -0.038978 0.013599 0.016117 -0.007952 -0.028359 1Rh 5s 0.049486 0.097423 -0.027760 -0.031810 0.025890 0.044455 1Rh 6s -0.096125 -0.154037 0.017920 0.016519 -0.059262 0.026415 1Rh 7s 0.762872 1.020610 -0.227783 -0.046688 0.398468 -0.132447 1Rh 8s -0.058223 -0.105946 0.118987 -0.035734 -0.047434 0.238037 1Rh 1pz -0.002311 0.007538 0.000968 -0.001939 -0.001238 -0.001474 1Rh 1px -0.002597 -0.000208 0.000179 -0.000753 -0.003974 -0.001723 1Rh 1py -0.003343 -0.006001 0.001068 0.000570 0.003248 0.002099 1Rh 2pz 0.009053 -0.028276 -0.003279 0.007688 0.004605 0.005284 1Rh 2px 0.009204 -0.000245 -0.000546 0.003030 0.014540 0.006356 1Rh 2py 0.012226 0.022773 -0.003919 -0.002236 -0.012079 -0.008245 1Rh 3pz -0.023410 0.046159 -0.002775 -0.022050 -0.006578 -0.002885 1Rh 3px -0.002917 0.023284 -0.001215 -0.009381 -0.015240 -0.008501 1Rh 3py -0.012924 -0.042623 0.004639 0.005900 0.017280 0.022119 1Rh 4pz 0.031692 0.029266 0.042382 0.037508 -0.008630 -0.033390 1Rh 4px -0.067183 -0.106970 0.004018 0.015962 -0.056013 -0.010115 1Rh 4py -0.044541 -0.000662 0.011043 -0.008052 0.023150 -0.033592 1Rh 5pz -0.061689 -0.122697 -0.101053 -0.071912 0.013746 0.083315 1Rh 5px 0.188133 0.255984 0.049921 -0.014746 0.156383 -0.016657 1Rh 5py 0.105438 0.050572 -0.021540 0.011866 -0.062007 0.062434 1Rh 6pz -0.191603 0.772506 0.151598 -0.134486 -0.002426 -0.146083 1Rh 6px -0.961541 -0.708299 -1.856683 -0.507222 -0.467263 1.222771 1Rh 6py 0.108042 -0.331740 -0.048833 0.141039 0.425180 0.190148 1Rh 1dz2 -0.016777 0.011493 0.004860 -0.002317 0.001643 -0.020120 1Rh 1dxz 0.000566 0.008880 0.025508 0.003476 0.008043 -0.019666 1Rh 1dyz 0.015409 -0.007944 0.005898 0.009399 0.002864 -0.003310 1Rh 1dx2y2 -0.013591 0.000304 -0.025582 -0.012277 -0.003391 0.021802 1Rh 1dxy -0.000309 0.003982 -0.007413 -0.002228 -0.003573 0.007767 1Rh 2dz2 -0.002124 0.002574 -0.002124 0.001354 0.000133 -0.000555 1Rh 2dxz 0.001049 0.001702 0.002930 -0.000253 0.000425 -0.000674 1Rh 2dyz 0.001187 -0.000337 -0.003000 0.006542 0.000835 -0.000868 1Rh 2dx2y2 -0.002979 -0.001190 -0.002226 -0.000127 -0.000386 -0.001390 1Rh 2dxy -0.000855 0.000552 -0.001704 0.002110 0.000184 -0.000259 1Rh 3dz2 0.064826 -0.049434 -0.006240 0.001290 -0.006071 0.068779 1Rh 3dxz -0.006513 -0.036723 -0.097093 -0.010286 -0.028300 0.067742 1Rh 3dyz -0.055403 0.027385 -0.005415 -0.061153 -0.013233 0.014852 1Rh 3dx2y2 0.058016 0.004249 0.094137 0.040822 0.012925 -0.065283 1Rh 3dxy 0.005106 -0.015785 0.032267 -0.002438 0.010797 -0.024285 1Rh 4dz2 -0.064703 0.059666 -0.021161 0.018899 0.007058 -0.048215 1Rh 4dxz 0.014610 0.038808 0.091811 0.003655 0.020316 -0.046188 1Rh 4dyz 0.038946 -0.016840 -0.036243 0.122671 0.018110 -0.020719 1Rh 4dx2y2 -0.067411 -0.014817 -0.083544 -0.023873 -0.013818 0.020818 1Rh 4dxy -0.016245 0.018690 -0.041884 0.029583 -0.001995 0.008826 1Rh 5dz2 0.045402 -0.048810 0.121452 -0.116081 -0.028378 -0.067211 1Rh 5dxz -0.012171 0.018779 0.018999 0.022097 0.034063 -0.116402 1Rh 5dyz 0.099057 -0.049621 0.184153 -0.369601 -0.031975 0.065478 1Rh 5dx2y2 0.015142 0.014195 -0.044150 -0.089697 0.031228 0.212168 1Rh 5dxy 0.067506 -0.046090 0.050683 -0.151838 -0.051304 0.102274 1Rh 1f0 0.003940 0.017223 -0.015638 0.008498 -0.007547 0.006940 1Rh 1f+1 0.000295 -0.016296 0.000035 0.002322 -0.006599 -0.006297 1Rh 1f-1 0.009400 -0.005546 -0.016933 0.014656 -0.004387 -0.004050 1Rh 1f+2 -0.007907 0.034911 0.031699 0.003066 0.000057 -0.056664 1Rh 1f-2 0.022191 0.011108 0.012196 -0.019148 -0.004342 -0.021662 1Rh 1f+3 -0.006380 -0.032116 0.012273 0.020899 0.007177 -0.002918 1Rh 1f-3 -0.006754 0.007581 -0.005171 0.014880 0.003513 -0.035268 2C 1s 0.012557 0.001905 0.004592 0.000827 0.003702 0.002815 2C 2s 0.036768 0.005170 0.013713 0.002271 0.011266 0.008687 2C 3s 0.355030 0.196172 -0.124537 0.046585 0.087625 0.002592 2C 4s -3.361593 -1.240507 -0.242843 -0.439795 -0.856190 0.093412 2C 5s -1.243895 0.952357 -0.094296 -0.314747 -0.329805 -0.397818 2C 1pz 0.058211 0.030035 -0.069903 0.005148 0.011747 0.012024 2C 1px 0.070862 0.032514 -0.000359 0.000708 0.039205 0.028584 2C 1py 0.047634 0.044427 -0.026278 0.018694 0.012915 0.006317 2C 2pz -1.596309 -0.385976 -0.097320 -0.408711 -0.360564 0.030384 2C 2px -0.565542 -0.336023 -0.142126 0.080542 -0.298879 -0.084654 2C 2py -0.913399 -1.025571 -0.081113 -0.043254 -0.236392 0.578052 2C 3pz -0.581617 0.162161 0.037839 -0.038616 -0.104548 -0.117558 2C 3px -0.126281 -0.024521 -0.072942 -0.112110 -0.090904 -0.033830 2C 3py -0.350519 0.095289 -0.075825 -0.128945 -0.145725 -0.088437 2C 1dz2 0.086591 0.028346 -0.037924 0.013744 0.040137 0.108985 2C 1dxz -0.053121 0.038613 -0.033332 -0.009817 -0.005285 0.007548 2C 1dyz 0.176100 0.045748 -0.035713 0.020072 0.056650 0.038225 2C 1dx2y2 -0.073190 0.066976 -0.019294 0.007604 0.021930 0.040029 2C 1dxy -0.039207 0.093516 -0.072838 -0.059096 0.006658 -0.025925 2C 2dz2 -0.440819 -0.008445 0.055641 -0.130278 -0.085672 -0.148102 2C 2dxz -0.278131 -0.235388 -0.249899 -0.032224 -0.126814 0.147357 2C 2dyz -0.716801 -0.529636 0.064063 -0.085569 -0.233441 0.076300 2C 2dx2y2 0.205616 -0.001577 0.107762 0.045953 -0.052034 -0.242054 2C 2dxy -0.303347 -0.039544 -0.014153 0.033551 -0.114907 -0.068860 2C 1f0 0.015463 -0.053494 0.024801 -0.003779 -0.009122 -0.020357 2C 1f+1 -0.014281 -0.221305 0.022101 0.165535 -0.016005 0.204547 2C 1f-1 -0.245536 -0.130115 -0.017702 -0.070795 -0.070708 -0.025526 2C 1f+2 0.062483 0.028775 -0.009068 -0.158163 0.038975 -0.070020 2C 1f-2 -0.123430 0.082351 -0.089350 -0.179788 -0.022392 -0.127879 2C 1f+3 -0.068215 -0.005474 -0.009471 0.036475 -0.043488 -0.026797 2C 1f-3 -0.237727 0.180001 -0.110953 -0.407109 -0.007421 -0.206507 3C 1s -0.004099 0.010384 0.002890 0.001229 0.004457 0.000954 3C 2s -0.012478 0.030134 0.009238 0.003263 0.013512 0.001447 3C 3s 0.044224 0.301529 -0.049884 0.079068 0.018858 0.287900 3C 4s 0.256127 -2.806466 -0.303467 -0.728827 -0.618993 -1.238496 3C 5s 1.984094 -0.166284 -0.834559 -0.333008 -0.315025 -0.265888 3C 1pz 0.013912 0.009899 -0.022089 -0.000838 -0.009012 0.058617 3C 1px 0.023857 0.056275 0.051796 0.018844 0.064596 0.012710 3C 1py -0.004338 -0.049675 0.037094 -0.010001 0.018832 -0.100473 3C 2pz -0.269242 -0.717474 0.000034 -0.372154 -0.067761 -0.469130 3C 2px -0.448067 -0.838084 -0.395668 -0.359007 -0.686115 0.082321 3C 2py -0.179248 1.238684 0.121646 0.275098 0.098544 0.622143 3C 3pz 0.311734 -0.094059 -0.143705 -0.158967 0.010874 -0.055190 3C 3px 0.196536 -0.201050 -0.268213 0.066601 -0.233446 -0.061492 3C 3py -0.508233 0.275948 0.115761 0.141141 0.066775 0.208860 3C 1dz2 -0.126077 -0.008363 0.092087 0.039668 0.028319 -0.039935 3C 1dxz -0.048257 0.016867 -0.052721 0.038526 -0.050487 0.020285 3C 1dyz 0.058246 -0.132690 -0.050831 -0.033568 -0.054281 -0.079251 3C 1dx2y2 0.051172 -0.014109 0.014132 0.012553 0.010809 -0.078428 3C 1dxy -0.067618 -0.080615 -0.005808 0.007418 -0.023587 -0.014808 3C 2dz2 -0.045794 0.174287 -0.020984 -0.060772 0.022559 0.036697 3C 2dxz 0.082595 -0.204394 -0.026063 -0.173854 0.021519 0.001267 3C 2dyz 0.041967 0.544691 -0.014586 0.084644 0.086390 0.402740 3C 2dx2y2 -0.070209 0.245270 -0.055968 0.079217 -0.127231 0.226617 3C 2dxy 0.248411 0.542916 0.302114 0.198162 0.390826 -0.055326 3C 1f0 -0.042130 0.068142 0.095391 -0.103793 0.124813 0.094456 3C 1f+1 0.215063 0.164584 -0.319128 0.323817 -0.388373 -0.261424 3C 1f-1 -0.050443 0.097392 -0.046439 0.060911 -0.058616 -0.029539 3C 1f+2 -0.021005 0.069253 0.049073 -0.063685 0.128611 0.092439 3C 1f-2 0.007419 0.201492 -0.138124 0.218365 -0.248206 -0.139582 3C 1f+3 -0.060692 -0.118141 -0.139771 0.007988 -0.214396 -0.086566 3C 1f-3 0.080275 0.150936 -0.110864 0.136139 -0.147827 -0.020689 4C 1s 0.001998 -0.003619 -0.002768 0.000765 0.000148 0.000443 4C 2s 0.006160 -0.009897 -0.008240 0.002327 0.000027 0.000778 4C 3s -0.287860 -0.125932 0.238255 -0.021939 -0.095811 -0.125970 4C 4s 1.750166 0.800379 -0.520045 0.273771 0.432426 0.202466 4C 5s 0.257501 -0.095084 0.492748 0.334733 0.139491 0.051114 4C 1pz 0.096947 0.058241 0.062060 0.049153 0.004384 -0.041954 4C 1px -0.077331 0.027229 -0.052339 -0.076854 -0.023277 -0.036051 4C 1py 0.033761 -0.007251 0.015050 -0.022091 0.005989 -0.004109 4C 2pz -1.957029 -0.814708 -0.220103 -0.609115 -0.394115 0.240234 4C 2px -0.275362 -0.497453 -0.065209 0.587388 -0.196809 0.275282 4C 2py -1.190671 -0.613352 -0.101645 0.066959 -0.364051 0.169154 4C 3pz -1.379140 0.898730 -0.131514 -0.226295 -0.307829 -0.254072 4C 3px 0.045746 0.216499 0.471338 0.347776 0.027138 -0.198648 4C 3py -0.889658 0.650825 0.161619 -0.025662 -0.163711 -0.276542 4C 1dz2 -0.153976 -0.239903 -0.053980 0.028575 -0.021255 0.195918 4C 1dxz -0.012899 0.039027 0.108161 -0.028805 0.014297 -0.034751 4C 1dyz -0.145597 0.026769 -0.051607 -0.057342 -0.078296 -0.092601 4C 1dx2y2 0.159258 -0.016548 0.074897 0.011448 0.016241 -0.006131 4C 1dxy 0.160218 -0.101072 0.157047 0.080314 0.086163 0.046037 4C 2dz2 0.911502 0.606022 0.610536 -0.113655 0.295831 -0.564262 4C 2dxz 0.158005 -0.072545 -0.150817 0.337436 -0.170797 -0.261472 4C 2dyz 0.885351 0.377477 0.309524 0.157290 0.271600 -0.135911 4C 2dx2y2 -0.814085 0.216140 -0.642214 -0.313310 -0.141544 0.105836 4C 2dxy -0.265598 -0.313732 -0.473441 0.297557 -0.179287 0.465422 4C 1f0 0.095099 -0.254266 0.074455 0.112923 0.015384 0.167222 4C 1f+1 0.122778 -0.039708 0.064554 0.063129 -0.014831 -0.089929 4C 1f-1 -0.280560 -0.009985 -0.017748 -0.133716 -0.093186 -0.149788 4C 1f+2 -0.018402 0.082655 -0.084709 -0.190251 0.030123 -0.001074 4C 1f-2 -0.073281 -0.020395 0.000508 0.005145 0.015249 0.026943 4C 1f+3 -0.033650 -0.136334 0.052418 0.108132 0.014326 0.190411 4C 1f-3 -0.049394 0.127424 0.007529 -0.183124 0.019282 -0.140734 5C 1s -0.005623 -0.001029 0.000573 0.002125 -0.001276 0.003139 5C 2s -0.015701 -0.002602 0.000711 0.005791 -0.003830 0.010007 5C 3s 0.011039 -0.219881 0.139808 0.012575 -0.025515 -0.360153 5C 4s 0.076616 1.433624 -0.387497 0.101575 0.210066 1.415616 5C 5s -0.289306 0.213757 0.182898 0.010320 0.467744 0.186897 5C 1pz -0.021893 0.033595 0.041874 -0.004275 0.026514 0.007785 5C 1px 0.019079 0.060189 -0.144468 0.088894 -0.170395 -0.050337 5C 1py -0.031226 -0.059422 -0.035198 -0.006296 -0.055194 -0.036435 5C 2pz 0.098756 -0.811930 -0.185515 -0.122951 -0.119991 -0.546105 5C 2px -0.463773 -1.181731 0.275244 -1.053957 0.315320 0.626057 5C 2py 0.012918 1.483784 0.399809 0.348750 0.494822 0.869884 5C 3pz 1.176321 -0.259713 -0.487074 -0.062618 -0.304071 -0.232886 5C 3px 0.695981 0.069335 0.414035 -0.386722 0.800525 0.035552 5C 3py -1.937939 0.337523 0.822561 0.401043 0.135626 0.061007 5C 1dz2 0.175463 -0.018122 -0.130950 0.012118 -0.012315 0.108217 5C 1dxz 0.021922 -0.058045 0.064226 -0.055563 0.115572 -0.014297 5C 1dyz 0.033527 0.117570 0.071442 0.016384 0.094877 -0.042914 5C 1dx2y2 0.020807 0.189063 0.153075 0.095530 0.178770 -0.013404 5C 1dxy -0.096112 0.006103 -0.118308 -0.052457 -0.183453 0.120694 5C 2dz2 -0.105600 0.179614 0.402836 0.255216 0.236442 -0.511394 5C 2dxz -0.605297 0.038599 0.088626 -0.153549 -0.263100 0.279724 5C 2dyz -0.204314 -0.821582 -0.288871 -0.283885 -0.440707 0.206754 5C 2dx2y2 -0.057755 -1.124761 -0.686342 -0.833091 -0.560487 0.598256 5C 2dxy 0.295076 -0.084703 0.218039 0.270953 0.269309 -0.686561 5C 1f0 0.010740 0.142328 0.084873 0.067678 0.110350 0.072046 5C 1f+1 0.037205 0.123699 -0.082885 0.191170 -0.198440 -0.108236 5C 1f-1 -0.134148 0.024081 0.028316 -0.047304 -0.037565 0.006072 5C 1f+2 -0.096704 0.122555 0.083170 -0.069020 0.122969 0.098552 5C 1f-2 0.101812 0.173514 -0.195804 0.153461 -0.155529 -0.083230 5C 1f+3 0.072764 0.075510 -0.026902 0.134840 -0.005256 -0.116771 5C 1f-3 0.202331 0.043883 -0.084664 0.010674 0.015811 -0.005421 6C 1s -0.005605 -0.001155 -0.000462 -0.001931 -0.001285 -0.002675 6C 2s -0.015635 -0.003041 -0.000448 -0.005269 -0.003907 -0.008744 6C 3s 0.005043 -0.202640 -0.145790 -0.010405 -0.020557 0.365145 6C 4s 0.098193 1.367289 0.429590 -0.137373 0.200449 -1.479875 6C 5s -0.280557 0.217243 -0.133597 -0.029904 0.491187 -0.167396 6C 1pz 0.023271 -0.036256 0.038219 -0.001788 -0.028231 0.007488 6C 1px -0.023212 -0.048864 -0.140817 0.081793 0.175307 -0.044644 6C 1py 0.031268 0.060040 -0.033161 -0.010779 0.057302 -0.040000 6C 2pz -0.089666 0.799622 -0.151440 -0.147559 0.137669 -0.555605 6C 2px 0.462247 1.151941 0.321045 -1.055290 -0.347919 0.540439 6C 2py -0.026391 -1.466555 0.335449 0.395695 -0.530712 0.907757 6C 3pz -1.172413 0.283553 -0.415774 -0.058876 0.337930 -0.114634 6C 3px -0.676111 -0.108678 0.408021 -0.338158 -0.805829 0.068335 6C 3py 1.934174 -0.375079 0.709316 0.377055 -0.183076 -0.101491 6C 1dz2 0.184933 -0.028840 0.120197 -0.012343 -0.020117 -0.113965 6C 1dxz 0.016666 -0.051245 -0.063565 0.050494 0.116759 0.009108 6C 1dyz 0.029038 0.122426 -0.061792 -0.022447 0.096093 0.037627 6C 1dx2y2 0.018756 0.197594 -0.137307 -0.106816 0.181228 0.009083 6C 1dxy -0.090941 -0.005395 0.110315 0.059489 -0.179093 -0.124835 6C 2dz2 -0.127712 0.210616 -0.368491 -0.264652 0.241283 0.510691 6C 2dxz -0.600144 0.032388 -0.091105 0.163780 -0.224590 -0.242829 6C 2dyz -0.188170 -0.838267 0.234038 0.315540 -0.445127 -0.164642 6C 2dx2y2 -0.042289 -1.160264 0.596604 0.878304 -0.567447 -0.561282 6C 2dxy 0.262325 -0.049176 -0.197039 -0.274724 0.250280 0.666495 6C 1f0 -0.014672 -0.144234 0.075179 0.076740 -0.109441 0.070648 6C 1f+1 -0.040008 -0.115323 -0.084860 0.187750 0.205206 -0.098439 6C 1f-1 0.136901 -0.026593 0.021299 -0.048153 0.034877 -0.001808 6C 1f+2 0.099554 -0.126987 0.069422 -0.067022 -0.134708 0.095099 6C 1f-2 -0.108560 -0.160715 -0.197998 0.147646 0.167255 -0.072414 6C 1f+3 -0.075347 -0.073171 -0.031504 0.134419 0.015008 -0.116991 6C 1f-3 -0.206738 -0.040039 -0.082865 0.014828 -0.003789 0.001117 7C 1s 0.002136 -0.003887 0.002516 -0.000749 -0.000056 -0.000473 7C 2s 0.006575 -0.010730 0.007453 -0.002317 -0.000584 -0.000874 7C 3s -0.300439 -0.108329 -0.227862 0.038615 -0.084216 0.152770 7C 4s 1.782626 0.765194 0.469035 -0.353754 0.385627 -0.360127 7C 5s 0.252521 -0.042912 -0.483519 -0.299385 0.150405 0.019679 7C 1pz -0.094116 -0.063588 0.063373 0.047531 -0.002683 -0.057349 7C 1px 0.075279 -0.021828 -0.055084 -0.068629 0.022752 -0.014023 7C 1py -0.033973 0.008125 0.016106 -0.018773 -0.007610 0.021464 7C 2pz 1.953833 0.834076 -0.260352 -0.649206 0.354048 0.204097 7C 2px 0.285880 0.481432 -0.016530 0.544511 0.205955 0.148008 7C 2py 1.206289 0.612070 -0.100589 0.015408 0.358087 -0.034091 7C 3pz 1.383234 -0.870780 -0.172367 -0.178929 0.303730 -0.223664 7C 3px -0.018707 -0.252406 0.465178 0.308418 -0.028058 -0.348644 7C 3py 0.907634 -0.654469 0.120239 -0.012762 0.156735 -0.286662 7C 1dz2 -0.146537 -0.253893 0.043786 -0.032365 -0.014307 -0.241379 7C 1dxz -0.017301 0.045652 -0.099371 0.038860 0.018874 0.056815 7C 1dyz -0.148312 0.028829 0.056037 0.063666 -0.081920 0.128612 7C 1dx2y2 0.157374 -0.011726 -0.076406 -0.011207 0.018575 -0.021798 7C 1dxy 0.158803 -0.096809 -0.161576 -0.074207 0.091296 -0.043637 7C 2dz2 0.885264 0.652446 -0.571721 0.115079 0.298515 0.551762 7C 2dxz 0.144147 -0.057656 0.110920 -0.346154 -0.195659 0.251493 7C 2dyz 0.880407 0.401742 -0.313401 -0.175456 0.270233 0.084183 7C 2dx2y2 -0.803034 0.186265 0.665764 0.306970 -0.154163 -0.050702 7C 2dxy -0.248522 -0.346059 0.426944 -0.314208 -0.189627 -0.507777 7C 1f0 -0.100720 0.259993 0.091538 0.113580 -0.021560 0.203575 7C 1f+1 -0.118420 0.032532 0.070567 0.057403 0.019269 -0.117051 7C 1f-1 0.283474 0.012533 -0.024252 -0.132914 0.090897 -0.147449 7C 1f+2 0.014715 -0.078427 -0.094206 -0.180065 -0.034469 0.054523 7C 1f-2 0.072927 0.021176 -0.002924 0.000103 -0.018394 0.042566 7C 1f+3 0.029008 0.145812 0.060540 0.109876 -0.018777 0.177486 7C 1f-3 0.050520 -0.127506 -0.008540 -0.173608 -0.022575 -0.081987 8C 1s -0.004042 0.010592 -0.001974 -0.001527 0.004821 -0.000816 8C 2s -0.012329 0.030841 -0.006499 -0.004132 0.014612 -0.000981 8C 3s 0.049614 0.287355 0.056888 -0.084514 0.018123 -0.299042 8C 4s 0.229290 -2.767795 0.159248 0.797768 -0.659317 1.291187 8C 5s 1.977412 -0.200261 0.724202 0.312159 -0.373499 0.083981 8C 1pz -0.015554 -0.006532 -0.019696 -0.001289 0.009186 0.059534 8C 1px -0.021199 -0.059254 0.045766 0.022136 -0.065009 0.016842 8C 1py 0.006378 0.044062 0.035773 -0.009977 -0.019792 -0.101224 8C 2pz 0.293069 0.688072 0.011085 -0.395044 0.070778 -0.503993 8C 2px 0.435836 0.857084 -0.331377 -0.398664 0.674818 0.040561 8C 2py 0.174192 -1.212725 0.074391 0.301136 -0.121430 0.657680 8C 3pz -0.310891 0.095782 -0.124844 -0.154058 -0.000671 -0.041459 8C 3px -0.199539 0.216399 -0.234697 0.058096 0.246750 -0.044446 8C 3py 0.499395 -0.274082 0.079448 0.138084 -0.081169 0.164037 8C 1dz2 -0.127352 -0.003937 -0.082313 -0.038174 0.031489 0.045105 8C 1dxz -0.042665 0.012401 0.051974 -0.036112 -0.051787 -0.017125 8C 1dyz 0.056801 -0.133984 0.039895 0.036731 -0.058229 0.078479 8C 1dx2y2 0.052164 -0.011934 -0.014341 -0.012005 0.007639 0.077293 8C 1dxy -0.068043 -0.079263 0.001479 -0.007707 -0.021268 0.018536 8C 2dz2 -0.049973 0.176712 0.028122 0.058462 0.027442 -0.036949 8C 2dxz 0.081360 -0.202093 0.019663 0.176554 0.017742 0.002002 8C 2dyz 0.053795 0.529566 0.033543 -0.097049 0.092681 -0.422646 8C 2dx2y2 -0.064982 0.227625 0.055371 -0.080477 -0.119840 -0.233324 8C 2dxy 0.240119 0.555819 -0.261687 -0.223622 0.389193 0.027698 8C 1f0 0.043875 -0.076652 0.084417 -0.093547 -0.128393 0.090444 8C 1f+1 -0.225794 -0.143741 -0.312603 0.315094 0.415685 -0.239337 8C 1f-1 0.045682 -0.095219 -0.056327 0.062261 0.066364 -0.031067 8C 1f+2 0.022567 -0.069793 0.046298 -0.063089 -0.140925 0.092566 8C 1f-2 -0.010307 -0.188895 -0.140051 0.209222 0.252610 -0.124480 8C 1f+3 0.060570 0.126192 -0.129405 -0.006156 0.216334 -0.089723 8C 1f-3 -0.086817 -0.140563 -0.112959 0.136930 0.159159 -0.012976 9C 1s 0.012458 0.002460 -0.004557 -0.000625 0.003849 -0.003010 9C 2s 0.036466 0.006874 -0.013548 -0.001647 0.011743 -0.009248 9C 3s 0.363181 0.184376 0.115590 -0.065649 0.076120 -0.036994 9C 4s -3.372627 -1.265907 0.284894 0.517591 -0.816388 0.121372 9C 5s -1.268151 0.927134 0.133629 0.257236 -0.324979 0.316236 9C 1pz -0.061444 -0.023860 -0.064941 0.011085 -0.007966 0.023442 9C 1px -0.072792 -0.031445 -0.003125 0.000370 -0.038571 0.029302 9C 1py -0.050788 -0.041946 -0.026183 0.021252 -0.010551 0.003796 9C 2pz 1.609061 0.374303 -0.150213 -0.468557 0.338561 -0.147615 9C 2px 0.568097 0.330691 -0.119920 0.077894 0.303881 -0.097698 9C 2py 0.909063 1.051589 -0.054010 -0.071160 0.208690 0.587409 9C 3pz 0.589037 -0.156319 0.020398 -0.034221 0.098568 -0.131263 9C 3px 0.121295 0.033703 -0.067126 -0.100251 0.088000 -0.002511 9C 3py 0.356816 -0.089341 -0.076932 -0.122929 0.145610 -0.090413 9C 1dz2 0.092272 0.023710 0.033012 -0.017763 0.039833 -0.115459 9C 1dxz -0.052134 0.032772 0.033892 0.005288 -0.004890 -0.012875 9C 1dyz 0.178534 0.045666 0.036504 -0.022504 0.053151 -0.048248 9C 1dx2y2 -0.070247 0.059287 0.023755 -0.010433 0.022636 -0.034827 9C 1dxy -0.039476 0.091165 0.077401 0.053310 0.006162 0.019182 9C 2dz2 -0.448564 0.006351 -0.028323 0.153560 -0.080934 0.234623 9C 2dxz -0.269062 -0.244660 0.236136 0.032024 -0.128065 -0.151636 9C 2dyz -0.723211 -0.533228 -0.070117 0.110599 -0.216411 -0.045389 9C 2dx2y2 0.204699 0.010257 -0.120971 -0.051174 -0.055221 0.223480 9C 2dxy -0.308274 -0.040013 0.017365 -0.028016 -0.119773 0.104123 9C 1f0 -0.013345 0.048352 0.025285 -0.008029 0.008686 -0.028167 9C 1f+1 0.010136 0.226101 0.038728 0.159644 0.014690 0.166060 9C 1f-1 0.242838 0.138363 -0.018167 -0.070097 0.066440 -0.007551 9C 1f+2 -0.066962 -0.026145 -0.013785 -0.141105 -0.045017 0.027029 9C 1f-2 0.126688 -0.083466 -0.103028 -0.180254 0.020703 -0.080239 9C 1f+3 0.065076 0.008142 -0.005042 0.042078 0.048461 -0.078532 9C 1f-3 0.235411 -0.175525 -0.136508 -0.386386 -0.001260 -0.089660 10H 1s 0.002423 -0.005403 -0.036169 0.007716 0.017205 0.061611 10H 2s 0.242962 0.160741 -0.086719 -0.091947 0.146563 0.207715 10H 3s -0.103083 -0.059616 0.020334 0.056078 0.013465 0.032577 10H 1pz 0.111564 -0.011282 0.035227 0.085559 0.053309 0.135919 10H 1px -0.097764 -0.062334 0.052772 0.064011 -0.031380 -0.033292 10H 1py -0.041485 0.121737 -0.067600 -0.219568 0.016844 -0.109525 11H 1s -0.088931 -0.022536 0.051617 0.005243 -0.012906 -0.000419 11H 2s 0.177829 0.281552 0.058302 -0.012306 0.020865 -0.190791 11H 3s -0.057999 -0.124756 0.021659 0.048249 0.021959 0.074916 11H 1pz -0.021230 0.197677 -0.054122 -0.108558 0.002723 -0.138045 11H 1px 0.146252 0.028663 0.046086 0.102544 0.007009 0.000927 11H 1py -0.144197 -0.002112 -0.004833 0.051462 -0.066893 -0.057565 12H 1s -0.045102 -0.015941 -0.007722 -0.045107 -0.042993 -0.080340 12H 2s 0.423961 -0.396384 0.082879 0.166219 0.080229 0.353811 12H 3s -0.083713 0.038556 -0.048962 -0.081911 -0.080873 -0.112854 12H 1pz -0.079058 -0.146782 -0.005187 0.021464 -0.047380 0.029685 12H 1px 0.003364 -0.012474 0.017860 -0.134752 0.015760 -0.041117 12H 1py 0.246647 -0.180513 0.030388 0.167283 0.049343 0.234253 13H 1s -0.019411 -0.002594 0.011399 -0.017368 -0.001611 0.028569 13H 2s 0.051531 0.302101 0.065897 -0.048975 0.324093 0.067924 13H 3s -0.070351 -0.089796 0.056457 -0.074649 -0.001120 -0.012333 13H 1pz 0.067599 0.182107 -0.135135 0.130289 -0.080092 -0.058772 13H 1px 0.051331 -0.043075 -0.041731 0.077005 -0.097213 -0.108193 13H 1py 0.029267 -0.003584 -0.141447 0.117288 -0.228663 -0.038489 14H 1s 0.008521 -0.017589 -0.038579 0.019270 -0.018846 -0.021971 14H 2s -0.488461 0.094887 -0.027880 -0.104039 -0.127241 0.182462 14H 3s 0.071368 -0.082844 -0.024575 0.047794 0.037771 -0.027034 14H 1pz -0.174953 -0.033511 0.120648 -0.184425 0.151873 0.201240 14H 1px -0.133018 0.115219 -0.056960 0.051987 -0.123235 -0.014130 14H 1py 0.071745 0.090497 0.090743 0.001639 0.157935 0.030381 15H 1s 0.011641 -0.061296 0.007889 -0.010174 -0.023019 -0.086661 15H 2s 0.080014 0.211990 0.026880 0.164211 0.106302 0.174069 15H 3s -0.092818 -0.138077 0.079540 -0.021865 -0.006584 -0.064390 15H 1pz 0.095489 -0.135196 -0.051036 -0.008042 -0.067713 -0.040267 15H 1px -0.005960 -0.067124 0.103534 -0.094534 0.187492 0.113173 15H 1py -0.103762 -0.111373 0.057954 -0.124194 0.035059 -0.056946 16H 1s 0.000098 0.013439 -0.032977 -0.020506 -0.004065 0.041808 16H 2s 0.195998 0.263153 -0.250464 -0.146834 0.170355 0.229508 16H 3s -0.027496 -0.079056 0.079686 -0.004069 -0.032455 -0.023117 16H 1pz 0.076315 0.112858 -0.107812 -0.066775 0.059378 0.109706 16H 1px 0.001576 0.005675 -0.022557 0.004778 0.002014 0.023396 16H 1py 0.008885 0.016884 -0.014767 -0.022583 0.011458 0.020745 17H 1s 0.007875 0.017053 -0.017309 0.013583 -0.004846 0.021001 17H 2s 0.217250 0.233334 -0.377298 -0.076901 0.157731 0.219460 17H 3s -0.063284 -0.023691 0.148097 0.045127 0.010619 -0.053503 17H 1pz -0.070668 -0.070827 0.127500 0.030791 -0.040514 -0.093093 17H 1px -0.049693 -0.069733 0.085696 0.000636 -0.041756 -0.039804 17H 1py 0.029379 0.029072 -0.059887 0.004482 0.010183 0.028308 18H 1s 0.009367 0.015171 0.019553 -0.012609 -0.004650 -0.021259 18H 2s 0.226941 0.214444 0.372087 0.059443 0.148222 -0.254480 18H 3s -0.068361 -0.014500 -0.145471 -0.044005 0.012974 0.064639 18H 1pz 0.076130 0.064750 0.128720 0.026783 0.039271 -0.104473 18H 1px 0.051493 0.065252 0.085398 -0.003632 0.039207 -0.046412 18H 1py -0.029312 -0.023764 -0.056016 0.006537 -0.007398 0.030978 19H 1s 0.002092 0.010286 0.034544 0.020561 -0.002969 -0.041884 19H 2s 0.203447 0.254217 0.250350 0.128373 0.164914 -0.256989 19H 3s -0.031267 -0.070778 -0.083569 0.003835 -0.028428 0.020371 19H 1pz -0.079578 -0.107613 -0.108426 -0.059365 -0.057994 0.120098 19H 1px -0.002471 -0.002449 -0.022507 0.004047 -0.001365 0.021300 19H 1py -0.011576 -0.019208 -0.018064 -0.022533 -0.013107 0.024367 20H 1s 0.009503 -0.058883 -0.010720 0.011247 -0.023483 0.084426 20H 2s 0.090819 0.205349 -0.015780 -0.173033 0.108963 -0.170023 20H 3s -0.099659 -0.131754 -0.082757 0.024201 -0.003412 0.065274 20H 1pz -0.094302 0.139001 -0.036735 -0.012169 0.072470 -0.034012 20H 1px 0.007556 0.060123 0.104393 -0.087881 -0.194590 0.105189 20H 1py 0.110910 0.103191 0.059251 -0.127220 -0.041310 -0.063091 21H 1s 0.010892 -0.019583 0.035761 -0.017529 -0.022295 0.026077 21H 2s -0.490373 0.094932 0.038098 0.110197 -0.103962 -0.162496 21H 3s 0.074078 -0.083796 0.018221 -0.046549 0.031479 0.039357 21H 1pz 0.180055 0.024822 0.114722 -0.180784 -0.167447 0.188216 21H 1px 0.131707 -0.111681 -0.064377 0.048784 0.121459 -0.016570 21H 1py -0.070957 -0.096406 0.080385 0.010605 -0.157775 0.033767 22H 1s -0.020050 -0.001618 -0.009034 0.017349 -0.000393 -0.030314 22H 2s 0.051839 0.309953 -0.031425 0.037886 0.321443 -0.062908 22H 3s -0.072119 -0.084679 -0.057929 0.075037 0.004108 0.018630 22H 1pz -0.074273 -0.173693 -0.143093 0.129850 0.092505 -0.054188 22H 1px -0.050412 0.046203 -0.034664 0.073156 0.102226 -0.101960 22H 1py -0.035225 0.015902 -0.129288 0.110247 0.235241 -0.032838 23H 1s -0.048969 -0.013912 0.005485 0.045961 -0.043361 0.083080 23H 2s 0.436896 -0.399982 -0.119982 -0.166331 0.088209 -0.411917 23H 3s -0.085432 0.041090 0.050075 0.087108 -0.083410 0.140369 23H 1pz 0.077982 0.152396 0.004843 0.023750 0.045308 0.049089 23H 1px -0.002258 0.011113 0.013060 -0.128422 -0.022962 0.029298 23H 1py -0.253155 0.184582 0.050762 0.162805 -0.049654 0.232295 24H 1s -0.090726 -0.021585 -0.048189 -0.004118 -0.008686 0.000822 24H 2s 0.169536 0.301945 -0.044072 0.020895 0.011284 0.238953 24H 3s -0.052719 -0.131254 -0.025223 -0.046452 0.026364 -0.072400 24H 1pz 0.022762 -0.201191 -0.068678 -0.105874 0.001200 -0.128425 24H 1px -0.142986 -0.037929 0.051445 0.093241 -0.001944 -0.055391 24H 1py 0.144823 0.003704 -0.001151 0.049658 0.070585 -0.102449 25H 1s 0.005296 -0.008214 0.038148 -0.007642 0.015844 -0.063521 25H 2s 0.245902 0.160593 0.099248 0.097487 0.148643 -0.190254 25H 3s -0.102288 -0.058545 -0.017730 -0.050558 0.013512 -0.014642 25H 1pz -0.111819 0.009875 0.036480 0.077666 -0.053661 0.095029 25H 1px 0.097901 0.063553 0.054964 0.063235 0.031724 -0.048871 25H 1py 0.042161 -0.121877 -0.080586 -0.212013 -0.019799 -0.059510 26O 1s 0.019821 0.010370 0.027148 0.017407 0.006045 -0.019083 26O 2s 0.067416 0.036739 0.095998 0.058728 0.020858 -0.068261 26O 3s -0.519325 -0.299228 -0.791136 -0.397700 -0.164482 0.585786 26O 4s 1.320718 0.770371 2.022168 0.595696 0.434400 -1.511801 26O 5s 0.023228 -0.601534 -1.265395 -1.277512 -0.016840 0.857630 26O 1pz -0.036798 0.002036 0.050808 -0.033060 -0.030120 -0.083202 26O 1px 0.135392 0.035363 -0.057639 -0.050353 0.035980 0.046927 26O 1py 0.083578 -0.187785 0.073025 0.148061 0.025969 0.158977 26O 2pz 0.068183 -0.044115 -0.114821 0.105218 0.071594 0.265740 26O 2px -0.412761 -0.194747 -0.199249 0.289756 -0.128486 0.238039 26O 2py -0.271881 0.417907 -0.312686 -0.312674 -0.078552 -0.273689 26O 3pz -0.020972 -0.275359 0.086008 -0.134463 -0.071407 0.120404 26O 3px -0.116339 -0.313993 0.423628 0.238654 -0.171458 -0.143373 26O 3py 0.008735 -0.362075 0.189471 0.051835 -0.007608 0.065306 26O 1dz2 -0.013738 -0.005031 -0.005486 -0.004947 -0.007038 -0.001428 26O 1dxz 0.005584 -0.005038 0.012249 0.007211 0.000237 -0.002614 26O 1dyz -0.007986 -0.001782 -0.001353 -0.000433 -0.000643 0.001110 26O 1dx2y2 0.009872 -0.000729 -0.000284 0.006113 0.003865 0.009516 26O 1dxy 0.007449 0.001764 0.002176 -0.003849 0.000477 -0.005443 26O 2dz2 -0.075719 0.003511 0.001185 -0.033252 -0.024033 -0.021601 26O 2dxz -0.101095 0.111703 0.082080 -0.100363 -0.024713 -0.225521 26O 2dyz -0.113164 -0.008991 -0.013610 -0.075740 -0.035041 -0.047441 26O 2dx2y2 -0.059130 0.193739 -0.145176 -0.205251 0.000442 -0.122200 26O 2dxy 0.005061 -0.171163 0.051423 0.112707 0.007766 0.160195 26O 1f0 0.012735 -0.005058 -0.007438 0.000122 0.003455 0.011056 26O 1f+1 -0.014547 0.015576 0.001635 -0.016815 -0.000180 -0.012290 26O 1f-1 -0.008750 0.016695 -0.008659 -0.018467 -0.001235 -0.007923 26O 1f+2 -0.010487 0.006211 0.016298 -0.002183 0.000161 -0.012113 26O 1f-2 -0.008467 -0.008930 -0.005684 -0.005714 -0.002791 0.007020 26O 1f+3 -0.001142 -0.015686 0.020214 0.014049 0.005752 0.006291 26O 1f-3 0.007802 -0.003813 0.015445 -0.009572 -0.003493 -0.018221 27O 1s -0.005822 0.025026 0.029558 0.004988 0.025661 -0.000038 27O 2s -0.019186 0.088228 0.100878 0.020036 0.087309 -0.002938 27O 3s 0.129489 -0.738204 -0.758413 -0.259130 -0.627577 0.122877 27O 4s -0.147018 1.940460 1.690267 1.050844 1.295576 -0.847700 27O 5s -0.165540 -0.624957 -1.143571 0.692006 -1.236151 -0.571463 27O 1pz -0.132622 -0.128354 0.047547 -0.160129 0.039240 0.000338 27O 1px -0.037016 -0.053235 0.124934 -0.053976 0.149920 0.027473 27O 1py -0.007543 0.034100 -0.027514 0.038040 -0.058851 0.105652 27O 2pz 0.355840 0.296121 -0.106817 0.402571 -0.059243 -0.071142 27O 2px 0.045528 -0.265708 -0.390890 -0.388537 -0.258413 0.418745 27O 2py 0.042019 0.049519 0.058975 0.070067 0.061262 -0.309243 27O 3pz -0.094171 -0.141265 -0.028658 -0.058314 0.142071 -0.059364 27O 3px -0.161622 -0.481987 0.368612 -0.219793 0.364309 -0.004904 27O 3py 0.125857 0.367379 -0.085272 0.018864 -0.190669 0.174847 27O 1dz2 -0.002372 0.001177 -0.007067 -0.001035 -0.006572 0.003351 27O 1dxz 0.002262 0.002671 -0.001154 0.007861 -0.006480 -0.008680 27O 1dyz -0.003185 0.005579 0.008356 -0.000765 0.011321 -0.000641 27O 1dx2y2 -0.001650 0.002892 0.012318 -0.002427 0.018189 0.003191 27O 1dxy 0.004644 0.002517 -0.009531 0.001036 -0.003830 0.005249 27O 2dz2 -0.022811 0.029036 0.035637 -0.033769 0.071161 0.029415 27O 2dxz -0.187049 -0.113309 0.111321 -0.159574 0.056109 0.008943 27O 2dyz 0.049009 0.073832 0.078455 0.022025 0.090551 -0.029747 27O 2dx2y2 -0.037364 -0.006507 0.028637 -0.004800 0.001666 0.037119 27O 2dxy -0.100144 -0.043289 0.050415 -0.111023 0.039896 0.148263 27O 1f0 0.002030 0.004096 -0.005497 0.006601 -0.010578 0.006654 27O 1f+1 -0.013138 0.010888 0.005032 0.015608 -0.003668 -0.017869 27O 1f-1 -0.005553 -0.002580 0.000639 -0.002308 -0.003726 -0.002206 27O 1f+2 -0.006074 -0.014116 0.024368 -0.013081 0.023645 -0.007715 27O 1f-2 0.008305 -0.003865 0.020370 0.003945 0.017082 -0.013811 27O 1f+3 0.020341 0.011392 -0.011271 0.025378 -0.010255 -0.028021 27O 1f-3 0.006055 -0.015727 0.015630 -0.017238 0.029687 -0.008709 28O 1s 0.000314 -0.002164 -0.007027 -0.002905 -0.006444 -0.002206 28O 2s 0.000892 -0.007992 -0.020844 -0.007597 -0.023105 -0.010623 28O 3s -0.041752 0.099164 0.091134 -0.025774 0.192887 0.131754 28O 4s 0.275425 -0.401270 0.080555 0.424055 -0.482696 -0.466860 28O 5s 0.807899 -0.208726 -0.004605 0.663960 0.457369 0.487352 28O 1pz -0.028220 -0.058965 0.042703 -0.098536 0.040203 0.039994 28O 1px 0.057153 -0.007865 0.241687 0.011798 0.025545 -0.078269 28O 1py -0.022811 0.050381 0.118390 -0.030261 -0.000089 -0.083445 28O 2pz -0.112093 0.233620 -0.210694 -0.012515 -0.056310 -0.015108 28O 2px -0.003170 -0.153568 -0.418226 0.251806 -0.131150 0.101740 28O 2py -0.053777 -0.087350 -0.293485 0.005515 0.003308 0.208585 28O 3pz -0.529761 -0.270819 -0.490903 -0.188270 -0.017302 0.311117 28O 3px 0.364154 0.087075 0.291004 0.160398 0.152719 -0.054996 28O 3py -0.242443 -0.084296 -0.226408 -0.023428 -0.046149 0.221570 28O 1dz2 0.005311 -0.000274 0.000569 0.001243 0.003514 0.003534 28O 1dxz 0.003736 -0.000236 0.011822 0.005697 0.004143 -0.001674 28O 1dyz 0.003949 -0.001746 -0.002113 0.001446 0.003261 0.009600 28O 1dx2y2 -0.007522 -0.001914 -0.008807 -0.004083 0.002104 0.004982 28O 1dxy 0.001275 0.000193 -0.000840 0.001989 -0.002922 -0.003766 28O 2dz2 0.008784 -0.072030 0.116504 0.000046 0.046796 0.028470 28O 2dxz -0.012181 0.041158 -0.021523 -0.039067 0.002504 -0.012380 28O 2dyz 0.052429 0.024979 0.059013 0.063107 0.002233 -0.047597 28O 2dx2y2 -0.009834 0.037433 -0.090081 0.010567 -0.000910 0.005531 28O 2dxy 0.006356 -0.060891 -0.059800 0.002213 0.037464 0.129763 28O 1f0 -0.009255 -0.002548 0.001153 -0.003067 -0.001461 -0.005595 28O 1f+1 0.035654 0.030147 0.008265 0.006946 0.001385 -0.029683 28O 1f-1 0.013901 0.004219 0.004015 0.007665 0.003670 0.001942 28O 1f+2 -0.007755 0.010875 -0.014067 -0.024334 0.002362 0.000940 28O 1f-2 0.023126 -0.016172 0.010529 0.016931 0.010562 0.015935 28O 1f+3 0.013432 0.024698 -0.003217 -0.005895 0.007577 -0.005633 28O 1f-3 0.038689 -0.020580 0.017367 0.021719 0.016937 0.025637 29O 1s 0.004452 0.006754 -0.016856 -0.005652 0.005984 0.015564 29O 2s 0.014771 0.022475 -0.056546 -0.018952 0.020077 0.052156 29O 3s -0.087499 -0.137909 0.372403 0.124306 -0.130000 -0.346420 29O 4s 0.198958 0.305186 -0.658101 -0.209796 0.231329 0.572679 29O 5s -0.743496 -1.009893 1.349151 0.415230 -0.546240 -0.970078 29O 1pz 0.000985 -0.017619 0.042090 0.023946 -0.012660 -0.054894 29O 1px 0.009928 0.008717 -0.126415 -0.037443 0.019122 0.140406 29O 1py -0.032497 -0.052709 0.069665 0.015327 -0.021179 -0.040021 29O 2pz 0.023045 0.077865 -0.090334 -0.091913 0.047908 0.143724 29O 2px -0.087912 -0.100531 0.348598 0.089621 -0.076560 -0.330793 29O 2py 0.124815 0.184085 -0.238632 -0.059653 0.083085 0.152467 29O 3pz -0.088350 -0.079456 0.177338 0.018728 -0.050189 -0.095468 29O 3px 0.196117 0.295138 -0.420140 -0.119230 0.105742 0.302877 29O 3py 0.111944 0.080897 -0.109691 -0.059823 0.110214 0.088841 29O 1dz2 0.001157 0.003482 -0.000500 -0.001937 -0.000041 0.001272 29O 1dxz 0.005101 0.003587 -0.004572 0.000128 0.001555 0.000957 29O 1dyz 0.000098 0.000447 0.002342 -0.002091 0.001188 -0.000428 29O 1dx2y2 -0.002768 -0.005201 0.002235 0.000417 -0.000835 0.000161 29O 1dxy -0.001659 0.000403 0.000956 -0.000821 -0.001307 0.000729 29O 2dz2 -0.014358 -0.021865 0.033318 0.024962 -0.019701 -0.040631 29O 2dxz 0.002491 -0.006546 0.019321 -0.006898 -0.002296 -0.015262 29O 2dyz -0.002144 -0.016464 0.007837 0.028217 -0.001865 -0.031997 29O 2dx2y2 -0.010713 -0.017420 0.000906 -0.008443 0.005056 0.019488 29O 2dxy 0.036547 0.052918 -0.083043 -0.014198 0.019021 0.071022 29O 1f0 0.002583 0.001757 -0.002714 0.000243 0.003073 0.000814 29O 1f+1 -0.002891 -0.001577 0.002894 0.002002 -0.002268 -0.002540 29O 1f-1 0.001430 -0.001668 0.001391 0.000934 0.001151 -0.003752 29O 1f+2 0.001329 -0.001481 -0.000527 0.000606 -0.001216 -0.002137 29O 1f-2 -0.000508 0.000434 0.000131 -0.003362 0.002022 0.000021 29O 1f+3 0.001858 0.002921 -0.000957 0.000647 0.001035 -0.001861 29O 1f-3 0.000440 -0.001974 0.000124 0.001805 -0.000833 0.000260 30O 1s 0.008955 -0.007605 -0.012005 0.013359 -0.024196 0.002878 30O 2s 0.031573 -0.028222 -0.038234 0.045134 -0.081319 0.008953 30O 3s -0.187445 0.255722 0.205044 -0.305233 0.566014 -0.088030 30O 4s 0.025359 -0.624769 -0.168516 0.416928 -1.020142 0.341672 30O 5s -1.570906 0.558678 0.937149 -0.974907 0.980278 0.776136 30O 1pz 0.005111 0.046588 -0.036903 0.007615 0.032770 -0.039515 30O 1px 0.086302 0.015684 0.186566 0.052410 0.199353 -0.222689 30O 1py 0.131739 -0.091682 0.050452 -0.047121 0.094409 0.175287 30O 2pz 0.155719 -0.031991 -0.081561 0.066492 -0.183754 -0.035697 30O 2px -0.388643 -0.193047 -0.249886 -0.259004 -0.386857 0.655987 30O 2py -0.443390 0.121134 0.056797 0.056462 -0.130986 -0.262351 30O 3pz -0.182256 -0.190064 -0.431275 -0.159894 -0.355844 0.102256 30O 3px -0.089115 0.130425 0.374317 -0.132719 0.276593 0.031932 30O 3py 0.398589 0.134099 0.466492 0.178205 0.482261 -0.023328 30O 1dz2 0.001445 0.001996 0.000595 0.000634 -0.000570 -0.004596 30O 1dxz 0.003719 -0.000666 0.008690 -0.002686 0.018625 0.001023 30O 1dyz 0.005762 -0.005026 0.003702 0.002672 -0.001828 -0.005671 30O 1dx2y2 0.004577 -0.002246 -0.007933 0.001692 -0.012013 0.000000 30O 1dxy 0.001369 0.005913 -0.012906 0.003356 -0.012991 0.002636 30O 2dz2 0.066420 0.012277 0.029462 0.019898 0.109598 -0.038702 30O 2dxz -0.038286 0.004681 -0.023688 0.012797 -0.085348 -0.058075 30O 2dyz 0.033649 0.017804 -0.136494 0.043673 -0.152114 0.028193 30O 2dx2y2 0.011710 0.011915 -0.058936 -0.045573 -0.006399 0.161454 30O 2dxy -0.061842 -0.014440 -0.037056 0.009514 -0.091726 0.006901 30O 1f0 -0.012687 -0.008171 0.000113 -0.002174 -0.005111 -0.002324 30O 1f+1 -0.028830 0.007153 0.025418 -0.008526 0.009497 -0.000736 30O 1f-1 -0.003205 0.007075 -0.002452 0.005171 -0.010236 -0.006046 30O 1f+2 0.017439 0.019937 -0.008514 0.016304 0.003112 0.001598 30O 1f-2 0.011073 0.002474 -0.025384 0.010505 -0.014776 -0.011686 30O 1f+3 0.000519 0.031465 0.033879 0.006332 0.039072 0.010020 30O 1f-3 -0.008238 0.004517 -0.012243 -0.000381 -0.015236 -0.000556 31O 1s 0.009341 -0.008759 0.009604 -0.012741 -0.024394 -0.005695 31O 2s 0.032801 -0.031998 0.029826 -0.043145 -0.081900 -0.018717 31O 3s -0.195415 0.280025 -0.140806 0.293120 0.565746 0.157179 31O 4s 0.043987 -0.666213 0.038707 -0.402186 -0.996793 -0.449210 31O 5s -1.567625 0.622367 -0.780393 0.972804 1.041594 -0.511230 31O 1pz -0.008092 -0.043905 -0.043074 0.005633 -0.031227 -0.047896 31O 1px -0.077065 -0.033809 0.178006 0.063747 -0.201747 -0.213258 31O 1py -0.131682 0.091591 0.062993 -0.042605 -0.095411 0.182456 31O 2pz -0.149732 0.032983 -0.067251 0.065732 0.192423 -0.003431 31O 2px 0.367285 0.226450 -0.224463 -0.280151 0.377184 0.616747 31O 2py 0.443207 -0.126777 0.030255 0.052470 0.121436 -0.289971 31O 3pz 0.169000 0.219712 -0.425299 -0.189385 0.366773 0.064025 31O 3px 0.093821 -0.157214 0.351917 -0.124876 -0.296302 0.002559 31O 3py -0.382794 -0.162877 0.472802 0.213429 -0.494316 0.012381 31O 1dz2 0.001284 0.002117 -0.000370 -0.000708 -0.000687 0.004467 31O 1dxz 0.003501 -0.000037 -0.008167 0.002011 0.018766 -0.000619 31O 1dyz 0.005562 -0.004844 -0.004523 -0.002801 -0.001901 0.004683 31O 1dx2y2 0.004774 -0.002891 0.007020 -0.000975 -0.012340 -0.000143 31O 1dxy 0.001961 0.004960 0.012563 -0.002607 -0.013263 -0.002554 31O 2dz2 0.066824 0.014710 -0.027931 -0.022912 0.108821 0.035087 31O 2dxz -0.040187 0.004349 0.024208 -0.010613 -0.085004 0.054263 31O 2dyz 0.037940 0.006856 0.128120 -0.038886 -0.157559 -0.034715 31O 2dx2y2 0.015948 0.004557 0.056086 0.048290 -0.008136 -0.156170 31O 2dxy -0.060991 -0.017681 0.034734 -0.006700 -0.090473 -0.003596 31O 1f0 0.012468 0.008300 0.000310 -0.002613 0.004713 -0.003185 31O 1f+1 0.030411 -0.008920 0.023425 -0.008088 -0.011282 -0.001196 31O 1f-1 0.003282 -0.006829 -0.002704 0.005116 0.010608 -0.005569 31O 1f+2 -0.018074 -0.019082 -0.009105 0.016660 -0.002028 0.002170 31O 1f-2 -0.011692 -0.001068 -0.025074 0.009579 0.016376 -0.010934 31O 1f+3 0.000083 -0.033323 0.030594 0.008324 -0.039704 0.009626 31O 1f-3 0.008314 -0.003662 -0.012344 -0.001305 0.015162 -0.000114 32O 1s 0.005030 0.005838 0.016930 0.005123 0.005709 -0.016179 32O 2s 0.016706 0.019389 0.056796 0.017172 0.019137 -0.054170 32O 3s -0.100272 -0.117142 -0.374344 -0.112956 -0.123606 0.357795 32O 4s 0.221706 0.266313 0.664036 0.188183 0.219423 -0.596525 32O 5s -0.788282 -0.932502 -1.360296 -0.355195 -0.520508 1.068459 32O 1pz 0.000178 0.013390 0.041120 0.022792 0.012012 -0.053751 32O 1px -0.015614 -0.001465 -0.127303 -0.037409 -0.017930 0.142277 32O 1py 0.035036 0.047936 0.071535 0.013423 0.020386 -0.044421 32O 2pz -0.023939 -0.068041 -0.086678 -0.085905 -0.046085 0.141746 32O 2px 0.102596 0.081718 0.351061 0.085367 0.072446 -0.345123 32O 2py -0.132820 -0.170232 -0.241667 -0.052163 -0.080013 0.170106 32O 3pz 0.095925 0.066471 0.178972 0.015556 0.047327 -0.103471 32O 3px -0.211680 -0.267414 -0.427230 -0.107420 -0.098249 0.324533 32O 3py -0.114454 -0.078191 -0.103694 -0.049101 -0.105893 0.111749 32O 1dz2 0.001239 0.003433 0.000672 0.001890 0.000040 -0.001566 32O 1dxz 0.005268 0.003237 0.004587 -0.000293 0.001443 -0.001394 32O 1dyz 0.000032 0.000640 -0.002279 0.001964 0.001237 0.000244 32O 1dx2y2 -0.002792 -0.005117 -0.002288 -0.000173 -0.000768 0.000219 32O 1dxy -0.001660 0.000447 -0.000763 0.000945 -0.001210 -0.000311 32O 2dz2 -0.015423 -0.020169 -0.033606 -0.021171 -0.019230 0.041077 32O 2dxz 0.001242 -0.006821 -0.020719 0.007828 -0.001950 0.018730 32O 2dyz -0.003361 -0.017405 -0.009448 -0.028166 -0.003247 0.032984 32O 2dx2y2 -0.011207 -0.017350 -0.002625 0.009187 0.005259 -0.018042 32O 2dxy 0.039169 0.047807 0.083275 0.012959 0.018100 -0.074879 32O 1f0 -0.002379 -0.001787 -0.002515 0.000597 -0.002753 0.001329 32O 1f+1 0.002989 0.001607 0.002871 0.001770 0.002328 -0.002921 32O 1f-1 -0.001410 0.001266 0.001653 0.001084 -0.001058 -0.003413 32O 1f+2 -0.001339 0.001594 -0.000461 0.000581 0.001331 -0.001705 32O 1f-2 0.000707 -0.000331 0.000407 -0.003046 -0.001894 0.000060 32O 1f+3 -0.001814 -0.002896 -0.000964 0.000783 -0.000988 -0.001564 32O 1f-3 -0.000567 0.001916 0.000051 0.001678 0.000699 0.000314 33O 1s 0.000747 -0.002902 0.006441 0.001358 -0.006774 -0.002781 33O 2s 0.002183 -0.010291 0.018727 0.002414 -0.024244 -0.006022 33O 3s -0.047400 0.110831 -0.069763 0.060039 0.202876 -0.020100 33O 4s 0.268001 -0.397970 -0.154683 -0.473799 -0.509091 0.290285 33O 5s 0.801239 -0.181558 -0.018554 -0.589962 0.449319 -0.261585 33O 1pz 0.028906 0.056754 0.037581 -0.098007 -0.049073 0.072814 33O 1px -0.048165 -0.008229 0.234787 0.002278 -0.032994 -0.087605 33O 1py 0.030070 -0.063337 0.110439 -0.038028 -0.002378 -0.122137 33O 2pz 0.103155 -0.217198 -0.215818 -0.001859 0.070191 -0.061045 33O 2px -0.007695 0.175835 -0.380242 0.259548 0.154628 0.083567 33O 2py 0.036632 0.118315 -0.282216 0.024881 -0.000365 0.307854 33O 3pz 0.509785 0.301664 -0.495413 -0.176143 0.013413 0.370250 33O 3px -0.352334 -0.113494 0.290814 0.151819 -0.155428 -0.084308 33O 3py 0.234290 0.095480 -0.230366 -0.028016 0.045982 0.207352 33O 1dz2 0.005196 -0.000001 -0.000458 -0.000781 0.003483 -0.001904 33O 1dxz 0.003309 0.000447 -0.011604 -0.004838 0.004364 0.004190 33O 1dyz 0.004230 -0.001887 0.002274 -0.000853 0.003318 -0.008962 33O 1dx2y2 -0.007041 -0.002820 0.008930 0.003154 0.002071 -0.007990 33O 1dxy 0.001168 0.000367 0.000452 -0.001721 -0.003215 0.006144 33O 2dz2 0.006852 -0.067905 -0.112566 0.003901 0.055659 -0.059768 33O 2dxz -0.011531 0.041381 0.025098 0.036287 0.001887 0.011873 33O 2dyz 0.048459 0.033710 -0.056651 -0.052974 -0.000627 0.101001 33O 2dx2y2 -0.007732 0.032668 0.088453 -0.012073 -0.006131 0.005059 33O 2dxy 0.012588 -0.070419 0.057527 -0.006009 0.040540 -0.173890 33O 1f0 0.009420 0.002169 0.000885 -0.003446 0.001269 -0.004265 33O 1f+1 -0.034450 -0.032530 0.007544 0.005835 0.000150 -0.036095 33O 1f-1 -0.013820 -0.004974 0.004035 0.006972 -0.003350 -0.000804 33O 1f+2 0.007256 -0.009733 -0.015260 -0.023092 -0.002690 0.005696 33O 1f-2 -0.023560 0.016580 0.011949 0.017207 -0.010998 0.021130 33O 1f+3 -0.013664 -0.024886 -0.004424 -0.005551 -0.007189 -0.006440 33O 1f-3 -0.039207 0.020710 0.018826 0.021282 -0.017523 0.028461 34O 1s -0.006670 0.026637 -0.026523 -0.006326 0.026501 0.001503 34O 2s -0.022109 0.093690 -0.090320 -0.024634 0.090134 0.007835 34O 3s 0.152276 -0.778471 0.674453 0.293520 -0.646944 -0.154720 34O 4s -0.203966 2.032946 -1.488366 -1.130341 1.328559 0.875952 34O 5s -0.132985 -0.693262 1.054735 -0.619297 -1.284408 0.515368 34O 1pz 0.135804 0.122015 0.051941 -0.160919 -0.051622 -0.008924 34O 1px 0.042554 0.041942 0.122765 -0.047869 -0.153690 0.027935 34O 1py 0.009611 -0.028245 -0.025963 0.033809 0.057739 0.107806 34O 2pz -0.362948 -0.283456 -0.117415 0.406745 0.091401 -0.047794 34O 2px -0.065353 0.294410 -0.358752 -0.402856 0.261084 0.399037 34O 2py -0.047790 -0.059231 0.050762 0.078544 -0.055293 -0.309759 34O 3pz 0.094168 0.137263 -0.023623 -0.054370 -0.141842 -0.064275 34O 3px 0.176715 0.449157 0.380725 -0.204169 -0.373125 -0.020353 34O 3py -0.128925 -0.350200 -0.091942 0.018750 0.189990 0.192293 34O 1dz2 -0.002099 0.000543 0.006865 0.001045 -0.006495 -0.003958 34O 1dxz 0.002414 0.002578 0.000970 -0.007758 -0.006811 0.008502 34O 1dyz -0.003493 0.006166 -0.007438 0.000225 0.011633 0.001045 34O 1dx2y2 -0.002022 0.003829 -0.011362 0.001525 0.018369 -0.003011 34O 1dxy 0.005025 0.001824 0.009445 -0.000841 -0.004421 -0.005013 34O 2dz2 -0.022864 0.031634 -0.031366 0.029304 0.072761 -0.028242 34O 2dxz -0.194582 -0.103830 -0.111627 0.161821 0.073431 0.001471 34O 2dyz 0.046957 0.078863 -0.070914 -0.029142 0.089140 0.027145 34O 2dx2y2 -0.040484 -0.005935 -0.028778 0.006668 0.005879 -0.040770 34O 2dxy -0.104869 -0.040526 -0.051116 0.111727 0.050053 -0.147006 34O 1f0 -0.002713 -0.003355 -0.005158 0.006245 0.010947 0.006416 34O 1f+1 0.013423 -0.011163 0.003767 0.015140 0.003539 -0.018391 34O 1f-1 0.005633 0.002424 0.000428 -0.002437 0.003794 -0.002673 34O 1f+2 0.007339 0.011975 0.023818 -0.012100 -0.024775 -0.008158 34O 1f-2 -0.007457 0.002294 0.019870 0.005020 -0.016936 -0.013757 34O 1f+3 -0.020712 -0.010707 -0.011569 0.025216 0.011870 -0.027107 34O 1f-3 -0.005290 0.013781 0.015039 -0.016399 -0.029516 -0.010379 35O 1s 0.018584 0.012460 -0.027013 -0.016239 0.005628 0.022090 35O 2s 0.063060 0.044029 -0.095385 -0.054746 0.019496 0.078381 35O 3s -0.484519 -0.356383 0.782007 0.369162 -0.156378 -0.651689 35O 4s 1.238447 0.904394 -1.976976 -0.540155 0.432689 1.601803 35O 5s 0.100090 -0.705959 1.267433 1.207587 0.007477 -1.092784 35O 1pz 0.045686 -0.014364 0.045992 -0.041845 0.025945 -0.095803 35O 1px -0.138481 -0.033575 -0.060429 -0.053038 -0.034285 0.038938 35O 1py -0.084906 0.186972 0.085577 0.139339 -0.030501 0.132536 35O 2pz -0.088153 0.072176 -0.101400 0.120838 -0.064285 0.277369 35O 2px 0.409574 0.205898 -0.171714 0.292274 0.133110 0.216440 35O 2py 0.272640 -0.412679 -0.337181 -0.296473 0.092188 -0.234528 35O 3pz 0.024747 0.264478 0.087800 -0.158953 0.056021 0.067618 35O 3px 0.139280 0.278862 0.439702 0.203117 0.166173 -0.237171 35O 3py -0.001199 0.346012 0.206481 0.027345 -0.001355 -0.013664 35O 1dz2 -0.013567 -0.005523 0.005236 0.004514 -0.007029 -0.000717 35O 1dxz 0.005212 -0.004298 -0.012525 -0.006863 0.000442 0.003429 35O 1dyz -0.007890 -0.001974 0.001528 0.000004 -0.000554 -0.001634 35O 1dx2y2 0.010079 -0.000900 -0.000047 -0.005716 0.003742 -0.007281 35O 1dxy 0.007228 0.002371 -0.002131 0.004144 0.000507 0.005164 35O 2dz2 -0.077803 0.005920 0.000027 0.033481 -0.022515 0.015947 35O 2dxz -0.111545 0.126244 -0.068023 0.104477 -0.022836 0.224459 35O 2dyz -0.115879 -0.006806 0.016093 0.073672 -0.033527 0.041205 35O 2dx2y2 -0.056409 0.189870 0.161697 0.197408 -0.003270 0.092925 35O 2dxy 0.009515 -0.177241 -0.062991 -0.112754 0.011509 -0.155012 35O 1f0 -0.013546 0.006258 -0.006434 0.001829 -0.003468 0.017659 35O 1f+1 0.014806 -0.015804 -0.000165 -0.016149 -0.000231 -0.010052 35O 1f-1 0.008612 -0.016112 -0.009911 -0.017422 0.001104 -0.004545 35O 1f+2 0.011365 -0.007648 0.014738 -0.004151 -0.000697 -0.016332 35O 1f-2 0.008525 0.009177 -0.005667 -0.006161 0.002380 0.007836 35O 1f+3 0.001440 0.015386 0.020697 0.012922 -0.006457 0.001515 35O 1f-3 -0.007146 0.002995 0.015290 -0.009373 0.003080 -0.014885 522 523 524 525 526 527 3.29417 3.29545 3.29753 3.30966 3.32820 3.35185 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s -0.000166 0.001152 -0.000163 -0.000530 -0.000204 0.000790 0Rh 2s 0.001531 -0.007625 0.001602 0.000734 0.002200 -0.005575 0Rh 3s -0.000055 0.002231 0.000000 -0.002697 0.000116 0.001322 0Rh 4s -0.007998 0.041059 -0.008517 -0.003912 -0.011851 0.030064 0Rh 5s 0.014556 -0.078912 0.017866 -0.008746 0.027364 -0.059222 0Rh 6s 0.002607 0.031297 -0.012296 0.084024 -0.032414 0.029057 0Rh 7s -0.167662 0.088035 -0.023716 -0.770705 0.053946 -0.192433 0Rh 8s 0.083816 -0.170750 -0.022525 0.007158 0.027207 -0.130261 0Rh 1pz 0.000321 0.000371 0.004210 0.003643 -0.000781 -0.001035 0Rh 1px 0.000073 0.000428 -0.000193 -0.004619 0.000642 -0.001638 0Rh 1py 0.001973 -0.001832 0.001752 0.003670 -0.000493 0.004041 0Rh 2pz -0.000826 -0.001620 -0.015864 -0.013818 0.002714 0.004474 0Rh 2px -0.000271 -0.001784 0.000795 0.016723 -0.002480 0.006327 0Rh 2py -0.007411 0.006769 -0.007134 -0.014356 0.002383 -0.015450 0Rh 3pz -0.007194 0.007821 0.027659 0.025499 0.000367 -0.020261 0Rh 3px 0.000502 0.006650 -0.002822 -0.013149 0.005596 -0.014943 0Rh 3py 0.012050 -0.008736 0.024333 0.036616 -0.015816 0.031803 0Rh 4pz 0.040394 -0.022176 0.006757 0.003229 -0.024486 0.052269 0Rh 4px -0.001212 -0.013676 0.005890 -0.086802 -0.003502 0.019742 0Rh 4py 0.008790 -0.017666 -0.051090 -0.046484 0.051207 -0.016423 0Rh 5pz -0.080200 0.039009 -0.032786 -0.050923 0.052321 -0.068917 0Rh 5px 0.018120 0.013765 -0.012948 0.250476 -0.010393 -0.070038 0Rh 5py -0.031733 0.047548 0.082206 0.063385 -0.080407 0.018974 0Rh 6pz -0.044532 0.345857 0.285833 0.702811 0.085188 -1.295464 0Rh 6px -0.452120 0.286111 0.161406 -0.885012 0.558706 0.945706 0Rh 6py 0.216943 -0.218681 0.803135 0.909325 -0.957820 -0.034038 0Rh 1dz2 0.005278 -0.008346 -0.001705 -0.009665 -0.020661 0.012428 0Rh 1dxz 0.000366 0.012404 -0.001372 -0.001152 0.003331 0.003610 0Rh 1dyz -0.007117 0.011246 0.006732 -0.003015 0.001354 0.002623 0Rh 1dx2y2 0.003367 -0.012153 -0.017669 0.007174 0.002136 -0.024033 0Rh 1dxy 0.002548 -0.006737 0.013171 0.018147 -0.010253 -0.028430 0Rh 2dz2 0.001286 -0.002930 -0.000920 -0.001625 -0.001155 0.002619 0Rh 2dxz -0.000446 0.000650 -0.001431 0.000177 0.001128 -0.001400 0Rh 2dyz -0.001182 -0.000343 -0.000631 -0.001383 0.004852 0.004590 0Rh 2dx2y2 0.000817 -0.000159 -0.001956 0.000581 0.000664 -0.000420 0Rh 2dxy 0.000403 -0.000632 0.001738 0.003034 -0.000715 -0.002682 0Rh 3dz2 -0.023291 0.040904 0.009947 0.039393 0.073546 -0.053365 0Rh 3dxz 0.000871 -0.043779 0.011068 0.002968 -0.016164 -0.005766 0Rh 3dyz 0.028727 -0.035381 -0.019276 0.016409 -0.026834 -0.029877 0Rh 3dx2y2 -0.014808 0.040707 0.066963 -0.026262 -0.009898 0.081963 0Rh 3dxy -0.010223 0.025095 -0.051352 -0.073690 0.037077 0.106775 0Rh 4dz2 0.029942 -0.059469 -0.017473 -0.044754 -0.057370 0.064605 0Rh 4dxz -0.006793 0.032964 -0.023442 0.000311 0.023375 -0.009929 0Rh 4dyz -0.030083 0.016118 0.004819 -0.029053 0.071946 0.073041 0Rh 4dx2y2 0.017736 -0.024746 -0.060819 0.022696 0.010553 -0.058676 0Rh 4dxy 0.009993 -0.022095 0.051995 0.079328 -0.029868 -0.097216 0Rh 5dz2 -0.050616 0.084800 0.020688 0.049550 -0.019468 -0.022477 0Rh 5dxz 0.026951 0.041863 0.054395 -0.019127 -0.036321 0.057655 0Rh 5dyz 0.017116 0.051710 0.014011 0.087425 -0.075239 -0.128432 0Rh 5dx2y2 0.012927 -0.083376 -0.032879 0.012572 0.024922 -0.086368 0Rh 5dxy 0.017587 -0.021823 -0.044812 -0.049147 -0.000367 -0.015875 0Rh 1f0 0.003559 0.018558 0.001257 -0.010188 -0.014533 -0.000538 0Rh 1f+1 -0.000926 -0.002689 -0.011193 -0.004372 0.003158 -0.019033 0Rh 1f-1 -0.005196 0.013792 -0.015455 -0.010153 -0.010381 -0.034478 0Rh 1f+2 -0.001061 -0.006429 0.026256 0.014372 -0.009958 -0.005712 0Rh 1f-2 0.003077 -0.001382 -0.003148 -0.016049 -0.032180 -0.022608 0Rh 1f+3 0.005243 -0.022460 -0.018532 0.008841 0.013613 -0.016622 0Rh 1f-3 0.002981 -0.006311 0.001013 -0.006105 -0.011619 -0.027122 1Rh 1s -0.000052 -0.001117 0.000136 -0.000492 0.000265 -0.000794 1Rh 2s 0.001384 0.007285 -0.001311 0.000596 -0.002603 0.005616 1Rh 3s 0.000535 -0.002228 0.000016 -0.002558 0.000003 -0.001322 1Rh 4s -0.007139 -0.039263 0.007009 -0.003154 0.014006 -0.030282 1Rh 5s 0.015411 0.075290 -0.015096 -0.009791 -0.031281 0.059678 1Rh 6s -0.008452 -0.029625 0.012883 0.082740 0.032527 -0.029363 1Rh 7s -0.162682 -0.069258 -0.018834 -0.772696 -0.024143 0.190998 1Rh 8s 0.042801 0.163266 0.032684 -0.001370 -0.031993 0.130909 1Rh 1pz -0.000314 0.000377 0.003986 -0.003758 -0.000626 -0.000995 1Rh 1px 0.000477 0.000387 -0.000171 0.004768 0.000501 -0.001579 1Rh 1py -0.003076 -0.001661 0.001400 -0.003936 -0.000410 0.003679 1Rh 2pz 0.000817 -0.001619 -0.015063 0.014237 0.002117 0.004310 1Rh 2px -0.001800 -0.001630 0.000732 -0.017290 -0.001978 0.006093 1Rh 2py 0.011702 0.006113 -0.005786 0.015412 0.002059 -0.014059 1Rh 3pz 0.006732 0.007277 0.027197 -0.025981 0.001707 -0.019633 1Rh 3px 0.003178 0.006445 -0.003127 0.014301 0.005359 -0.014335 1Rh 3py -0.022653 -0.007343 0.021491 -0.039637 -0.014902 0.028846 1Rh 4pz -0.037674 -0.019694 0.001992 -0.004418 -0.025395 0.050808 1Rh 4px 0.000812 -0.014168 0.007999 0.086095 -0.006891 0.018976 1Rh 4py 0.004011 -0.018488 -0.049539 0.051503 0.049649 -0.014964 1Rh 5pz 0.071616 0.034060 -0.021661 0.052745 0.052027 -0.066842 1Rh 5px -0.008989 0.016412 -0.019834 -0.247522 -0.000702 -0.069161 1Rh 5py 0.011416 0.047824 0.081578 -0.071416 -0.078007 0.018895 1Rh 6pz 0.107197 0.345769 0.260645 -0.676228 0.125378 -1.261207 1Rh 6px 0.137259 0.251794 0.220436 0.823343 0.524328 0.958179 1Rh 6py -0.379731 -0.180694 0.743794 -0.981934 -0.913968 -0.037050 1Rh 1dz2 0.011265 0.007969 0.002499 -0.007600 0.021665 -0.011301 1Rh 1dxz 0.003909 -0.012429 0.001935 -0.000747 -0.003716 -0.004365 1Rh 1dyz -0.006870 -0.010893 -0.007525 -0.002859 -0.001615 -0.003514 1Rh 1dx2y2 -0.002441 0.012308 0.017744 0.005344 -0.002184 0.023649 1Rh 1dxy 0.002077 0.006457 -0.012517 0.017986 0.009501 0.029149 1Rh 2dz2 0.001680 0.002889 0.001057 -0.001498 0.001302 -0.002608 1Rh 2dxz -0.000455 -0.000608 0.001378 0.000066 -0.001186 0.001320 1Rh 2dyz -0.001013 0.000516 0.000601 -0.001498 -0.004904 -0.005321 1Rh 2dx2y2 0.000990 0.000107 0.002118 0.000550 -0.000677 0.000302 1Rh 2dxy 0.000591 0.000586 -0.001536 0.003047 0.000542 0.002626 1Rh 3dz2 -0.044803 -0.039478 -0.013199 0.032001 -0.077538 0.049652 1Rh 3dxz -0.010736 0.043666 -0.012677 0.002135 0.017699 0.008636 1Rh 3dyz 0.027137 0.033425 0.022007 0.016422 0.027940 0.036361 1Rh 3dx2y2 0.003485 -0.040976 -0.067952 -0.020093 0.010122 -0.080105 1Rh 3dxy -0.009564 -0.023971 0.048271 -0.073214 -0.033796 -0.108848 1Rh 4dz2 0.047675 0.058173 0.021244 -0.038802 0.061517 -0.063728 1Rh 4dxz -0.000396 -0.032299 0.023635 -0.000537 -0.024938 0.007302 1Rh 4dyz -0.026621 -0.012811 -0.006535 -0.030223 -0.073360 -0.089170 1Rh 4dx2y2 0.009176 0.024317 0.063251 0.018811 -0.010991 0.055457 1Rh 4dxy 0.012461 0.020959 -0.047764 0.079287 0.025765 0.096663 1Rh 5dz2 -0.042175 -0.084113 -0.026779 0.052328 0.018573 0.050377 1Rh 5dxz 0.056200 -0.044333 -0.049090 -0.010037 0.036824 -0.058828 1Rh 5dyz -0.001302 -0.058473 -0.018351 0.084918 0.078364 0.208997 1Rh 5dx2y2 -0.031909 0.084126 0.030823 0.000582 -0.023064 0.099166 1Rh 5dxy -0.006899 0.021629 0.040203 -0.054463 0.006060 0.041660 1Rh 1f0 -0.003514 0.018933 0.001138 0.009534 -0.015079 -0.001119 1Rh 1f+1 0.002956 -0.002974 -0.010977 0.005399 0.003140 -0.016786 1Rh 1f-1 0.009845 0.013488 -0.013916 0.011145 -0.010657 -0.034808 1Rh 1f+2 0.012172 -0.006661 0.026589 -0.013007 -0.009217 -0.007029 1Rh 1f-2 0.003372 -0.001756 -0.003109 0.016184 -0.032356 -0.015872 1Rh 1f+3 -0.005975 -0.021770 -0.018829 -0.007700 0.013948 -0.019047 1Rh 1f-3 0.005506 -0.006312 0.001778 0.007395 -0.012004 -0.027667 2C 1s -0.001400 -0.004349 -0.001847 -0.006640 -0.000576 0.005564 2C 2s -0.004284 -0.013328 -0.005243 -0.020159 -0.001504 0.014669 2C 3s -0.089488 0.069532 -0.157261 -0.112735 -0.050209 -0.041132 2C 4s 0.635582 0.451569 1.112732 1.327804 0.102856 -1.233362 2C 5s -0.063913 0.212101 0.530505 -0.132008 0.299003 -0.460816 2C 1pz -0.035320 0.037524 -0.042051 -0.017917 -0.006668 -0.009492 2C 1px -0.004348 -0.000028 -0.025719 -0.031852 -0.041380 -0.172193 2C 1py 0.019342 0.041833 -0.018976 -0.002279 -0.027135 -0.083528 2C 2pz 0.600839 0.481346 0.617499 0.764798 -0.052308 -0.901742 2C 2px -0.048832 -0.024173 0.120531 0.362412 0.169847 0.969060 2C 2py -0.250156 -0.272990 0.425823 0.072413 0.051675 -0.428592 2C 3pz 0.119688 0.080820 0.225892 0.045186 0.105507 -0.284657 2C 3px -0.121425 -0.060668 -0.027681 0.092750 0.004734 0.219331 2C 3py 0.019003 0.141503 0.180316 0.134329 0.050191 -0.021967 2C 1dz2 -0.048577 -0.030627 -0.022932 -0.069842 -0.031629 -0.091745 2C 1dxz -0.000565 0.031384 0.041685 -0.000933 -0.002215 -0.029451 2C 1dyz -0.028234 0.021081 -0.079916 -0.084942 -0.041178 -0.147403 2C 1dx2y2 0.028222 0.030121 0.053802 -0.003136 -0.037954 -0.253153 2C 1dxy -0.002240 0.079263 0.013505 0.026271 0.006366 0.003679 2C 2dz2 0.341679 0.247972 0.172161 0.311666 -0.037207 -0.343438 2C 2dxz -0.072041 0.120217 0.073730 0.104364 0.007860 0.023352 2C 2dyz 0.022823 -0.111351 0.303439 0.302559 0.095173 0.179186 2C 2dx2y2 -0.046348 -0.104160 -0.137554 0.063961 0.108221 0.822764 2C 2dxy 0.120924 0.040668 0.066156 0.180921 0.050725 0.257133 2C 1f0 0.021616 0.028019 0.011795 0.029054 -0.014885 0.025354 2C 1f+1 0.110503 0.059054 0.088747 -0.061555 0.033914 -0.030510 2C 1f-1 -0.080397 -0.087665 0.051720 0.123444 -0.029106 -0.044258 2C 1f+2 -0.357356 -0.306226 -0.084015 -0.122814 -0.060527 0.048976 2C 1f-2 -0.159835 -0.077269 -0.038953 0.031746 0.002915 0.034346 2C 1f+3 0.213657 0.197097 0.038513 0.123575 0.043996 0.101614 2C 1f-3 -0.417045 -0.281270 -0.031331 0.027391 -0.089096 -0.128066 3C 1s 0.002444 -0.002289 0.007534 -0.009320 -0.000337 -0.001378 3C 2s 0.007823 -0.006863 0.022732 -0.028593 0.000319 -0.004848 3C 3s -0.061597 -0.060300 -0.106465 -0.073370 0.052444 0.144838 3C 4s 0.043540 0.581274 -0.790408 1.589152 0.651243 -0.551574 3C 5s -0.715958 0.610840 -0.399855 0.096637 0.028818 0.891760 3C 1pz -0.019391 0.009374 -0.039917 0.046978 -0.032563 0.019473 3C 1px -0.010252 -0.029679 -0.050263 -0.028377 0.167157 -0.032478 3C 1py 0.014529 0.015430 0.062799 0.005219 -0.042063 -0.058171 3C 2pz 0.244419 0.116002 -0.038850 -0.092542 1.031593 -0.231412 3C 2px 0.109680 0.206023 0.525442 0.125153 -0.390333 0.145522 3C 2py -0.039082 -0.258020 0.655968 -1.012321 -0.384415 0.409762 3C 3pz -0.074196 0.144338 -0.227016 0.147543 0.077084 0.050109 3C 3px -0.076151 0.071143 -0.007038 0.055083 -0.108595 0.194262 3C 3py 0.198825 -0.202517 0.154564 -0.192107 0.003758 -0.121731 3C 1dz2 0.038571 -0.009744 0.140082 -0.059356 -0.123608 -0.018248 3C 1dxz 0.012393 0.000821 0.023654 0.003228 -0.200001 0.078496 3C 1dyz -0.019662 0.060442 -0.010303 0.119351 -0.122687 -0.015790 3C 1dx2y2 -0.003658 0.000956 -0.073895 0.058854 -0.122114 0.000635 3C 1dxy 0.008365 0.019421 0.111730 -0.009679 -0.061484 0.007052 3C 2dz2 0.065336 -0.056949 0.032820 -0.334011 0.442936 0.039978 3C 2dxz -0.000435 0.064604 -0.198631 0.127676 0.483271 -0.096575 3C 2dyz -0.063421 -0.114105 -0.042229 -0.294342 0.079898 0.205091 3C 2dx2y2 -0.024281 -0.034835 0.404281 -0.258136 -0.387347 0.161140 3C 2dxy -0.069820 -0.145592 -0.166056 -0.153277 0.171552 -0.119469 3C 1f0 0.015773 0.026621 0.091914 -0.169247 0.119882 0.027323 3C 1f+1 -0.032679 -0.154876 -0.057886 -0.021573 0.090648 -0.054789 3C 1f-1 0.033246 -0.038054 0.079766 -0.117843 -0.040721 0.011813 3C 1f+2 0.008895 0.036817 -0.013899 -0.022815 -0.061117 0.042668 3C 1f-2 0.019629 -0.145369 0.193118 -0.233181 0.102995 -0.058040 3C 1f+3 0.040349 -0.009211 0.104701 -0.026082 0.127336 -0.051606 3C 1f-3 -0.026126 -0.074933 0.029864 -0.028377 -0.048578 0.005619 4C 1s -0.000401 0.000729 -0.002758 0.001670 -0.000442 0.000822 4C 2s -0.001053 0.003020 -0.007336 0.005833 -0.001560 0.001468 4C 3s 0.082357 -0.170604 0.044765 0.113734 0.135986 0.458988 4C 4s -0.475404 0.347025 -0.379499 -0.690188 -0.417268 -1.361392 4C 5s 0.208411 -0.300634 0.204153 -0.211400 -0.375132 -0.069894 4C 1pz 0.068832 0.033737 -0.021337 0.014802 0.015369 0.095905 4C 1px -0.075646 -0.047824 0.025297 0.030077 -0.016749 0.127788 4C 1py -0.096383 -0.098701 -0.022894 -0.046054 0.007396 0.092754 4C 2pz -0.016612 -0.015260 0.800602 0.622797 -0.137011 -1.327913 4C 2px 0.374263 0.391555 0.108352 0.074905 0.342304 0.186615 4C 2py 0.662023 0.605336 0.587023 0.629176 0.049147 -0.539381 4C 3pz 0.078763 0.301849 0.615821 -0.048419 -0.028651 -0.775360 4C 3px 0.656675 0.332522 0.153277 -0.041918 0.248092 -0.284252 4C 3py 0.219752 0.094548 0.317015 -0.145984 0.122945 -0.655703 4C 1dz2 -0.213815 -0.193428 0.064022 -0.095211 0.002069 -0.029550 4C 1dxz 0.097671 0.008131 0.028748 0.010374 -0.009297 -0.197886 4C 1dyz 0.144125 0.166962 0.023264 0.190715 0.018797 0.044608 4C 1dx2y2 -0.112029 -0.165917 -0.089363 -0.082266 0.058434 0.163278 4C 1dxy -0.004229 -0.123347 -0.033408 -0.115564 0.001992 -0.104395 4C 2dz2 0.070114 -0.324818 -0.318707 -0.170629 -0.081219 0.365767 4C 2dxz -0.046548 0.029091 -0.218245 0.059254 0.409859 1.945480 4C 2dyz -0.132175 -0.266918 -0.219299 -0.485138 0.040492 0.428332 4C 2dx2y2 0.241497 0.790051 0.317885 0.362890 -0.270365 -1.284749 4C 2dxy -0.252727 0.078055 0.142304 -0.113647 0.110058 0.295299 4C 1f0 -0.196744 -0.263357 -0.015671 -0.117916 -0.006526 0.051291 4C 1f+1 0.118771 0.075154 -0.064256 0.026994 0.062910 0.259553 4C 1f-1 0.014631 0.039695 0.072746 0.172478 0.023955 0.100970 4C 1f+2 -0.189706 -0.066509 0.005816 -0.086314 -0.042389 -0.133438 4C 1f-2 -0.067359 -0.093805 -0.001162 -0.057835 0.030609 -0.172409 4C 1f+3 0.029110 -0.052589 0.092244 -0.088740 -0.013865 -0.060976 4C 1f-3 -0.194943 -0.207749 -0.082315 0.006110 -0.008258 0.127989 5C 1s 0.001156 -0.001461 -0.001031 0.001265 -0.000112 0.000838 5C 2s 0.002750 -0.003522 -0.004436 0.004962 -0.000019 0.003184 5C 3s 0.037853 -0.016981 0.271989 0.057352 -0.447865 -0.165591 5C 4s -0.255161 0.046057 -0.542159 -0.631412 1.284380 0.898612 5C 5s 0.094012 0.072541 0.486537 -0.368819 0.245405 -0.394878 5C 1pz 0.009226 -0.009010 0.067031 -0.075849 -0.020320 0.005804 5C 1px -0.000502 -0.046734 0.073103 -0.020755 -0.038000 0.038057 5C 1py 0.028366 -0.010872 -0.007234 -0.038917 0.133037 -0.004254 5C 2pz 0.031103 0.189067 -0.502626 0.646177 0.552293 -0.254202 5C 2px 0.065517 0.635991 -0.117513 0.596095 -0.520066 0.097746 5C 2py -0.170945 -0.288169 0.441188 -0.616863 -1.162254 0.346292 5C 3pz -0.460113 0.271558 -0.114055 0.000955 0.272954 0.437305 5C 3px -0.229437 0.320753 -0.407871 0.185939 -0.227683 -0.030204 5C 3py 0.707480 -0.616690 0.559772 -0.191891 -0.440714 -0.684772 5C 1dz2 -0.085055 0.037319 -0.296920 0.286792 -0.114851 0.044076 5C 1dxz -0.030745 0.030615 -0.114801 0.044888 0.164699 -0.073296 5C 1dyz 0.009876 -0.022564 0.062427 -0.157955 0.099379 -0.033138 5C 1dx2y2 -0.017516 -0.045964 -0.054165 0.000670 -0.129263 -0.018535 5C 1dxy -0.001118 0.009083 0.188985 -0.129534 -0.005500 0.080953 5C 2dz2 0.119717 -0.167367 0.262100 -0.282223 -0.103642 -0.226124 5C 2dxz 0.154819 0.021492 1.166891 -0.504907 -1.043574 0.223408 5C 2dyz 0.004746 0.178245 -0.165751 0.667663 -0.399658 0.109500 5C 2dx2y2 -0.010953 0.425352 -0.529325 0.530005 0.953716 0.308666 5C 2dxy 0.024900 -0.192237 -0.545689 0.062506 1.480789 -0.488337 5C 1f0 -0.009423 -0.054696 -0.072033 -0.021911 -0.182851 0.041121 5C 1f+1 -0.012720 -0.112491 0.160052 -0.077769 0.033848 -0.047204 5C 1f-1 0.064952 -0.033502 0.183668 -0.224795 0.199058 -0.005168 5C 1f+2 0.035076 0.003100 0.071439 -0.094965 0.097874 -0.011967 5C 1f-2 0.009554 -0.064224 -0.067177 -0.070534 0.107439 0.017245 5C 1f+3 0.005243 -0.028299 -0.127869 0.133532 -0.290577 0.007878 5C 1f-3 -0.048610 0.012722 -0.268042 0.136237 0.124997 0.000578 6C 1s 0.002035 0.001335 0.001166 0.001393 0.000121 -0.001179 6C 2s 0.005361 0.003186 0.004740 0.005332 -0.000006 -0.004258 6C 3s -0.034454 0.016645 -0.256337 0.062179 0.435788 0.131559 6C 4s 0.101423 -0.031388 0.460534 -0.606785 -1.222865 -0.831546 6C 5s 0.171347 -0.079837 -0.455075 -0.362034 -0.239108 0.308805 6C 1pz -0.018605 -0.009351 0.068338 0.073716 -0.023264 0.009138 6C 1px -0.005417 -0.048330 0.076743 0.016837 -0.039005 0.049043 6C 1py -0.019028 -0.010317 -0.008884 0.045500 0.130094 -0.016508 6C 2pz 0.188399 0.193807 -0.529389 -0.587813 0.578515 -0.323936 6C 2px -0.093757 0.655634 -0.162405 -0.631805 -0.485993 0.116555 6C 2py -0.145495 -0.292129 0.474383 0.517497 -1.185414 0.474756 6C 3pz 0.520119 0.242050 -0.047425 0.002665 0.284410 0.470223 6C 3px 0.297170 0.313451 -0.387750 -0.180280 -0.211716 -0.044446 6C 3py -0.793305 -0.572372 0.462818 0.182466 -0.461619 -0.727183 6C 1dz2 -0.088315 -0.035692 0.294788 0.290671 0.100905 -0.051217 6C 1dxz -0.050350 -0.030479 0.110829 0.032531 -0.163776 0.093788 6C 1dyz 0.008516 0.023914 -0.066391 -0.163451 -0.092719 0.037224 6C 1dx2y2 -0.020290 0.046307 0.054853 0.003461 0.129186 0.016572 6C 1dxy 0.050137 -0.008367 -0.193837 -0.116096 0.012520 -0.092036 6C 2dz2 0.030424 0.165889 -0.251052 -0.299316 0.113751 0.212180 6C 2dxz 0.331469 -0.027886 -1.148227 -0.419839 1.055267 -0.379717 6C 2dyz 0.007711 -0.186780 0.186533 0.688556 0.366899 -0.122661 6C 2dx2y2 0.027099 -0.434311 0.526680 0.507459 -0.963665 -0.186005 6C 2dxy -0.178607 0.195125 0.537898 -0.049192 -1.467044 0.665083 6C 1f0 -0.007603 -0.055991 -0.073090 0.013407 -0.179246 0.061814 6C 1f+1 0.003663 -0.116801 0.168268 0.078687 0.030339 -0.040555 6C 1f-1 -0.086729 -0.033141 0.183766 0.228612 0.186474 -0.015857 6C 1f+2 -0.063150 0.007875 0.066200 0.092772 0.090975 -0.025841 6C 1f-2 0.003402 -0.067875 -0.060748 0.078607 0.103483 0.002401 6C 1f+3 0.031341 -0.028879 -0.132081 -0.135849 -0.278802 0.029648 6C 1f-3 0.075898 0.010054 -0.261318 -0.123133 0.132075 -0.029423 7C 1s -0.000618 -0.000678 0.002837 0.001628 0.000334 -0.000505 7C 2s -0.001872 -0.002827 0.007559 0.005662 0.001212 -0.000468 7C 3s 0.069159 0.156765 -0.036061 0.111508 -0.136625 -0.424413 7C 4s -0.463340 -0.282729 0.308379 -0.686429 0.434565 1.293015 7C 5s 0.278854 0.271729 -0.175216 -0.172665 0.385351 0.158890 7C 1pz -0.051326 0.038544 -0.027264 -0.011506 0.015595 0.084261 7C 1px 0.068300 -0.049384 0.034050 -0.034004 -0.014611 0.120390 7C 1py 0.085923 -0.107660 -0.011808 0.042985 0.006410 0.086862 7C 2pz -0.092817 -0.008658 0.775218 -0.641680 -0.117666 -1.187518 7C 2px -0.369354 0.391246 0.065296 -0.059612 0.329011 0.136178 7C 2py -0.668247 0.673261 0.505323 -0.624904 0.063739 -0.505866 7C 3pz -0.035524 0.280055 0.642263 0.059276 -0.065078 -0.815563 7C 3px -0.549018 0.353927 0.090545 0.076030 0.241043 -0.265328 7C 3py -0.147573 0.083324 0.320670 0.171896 0.093289 -0.680721 7C 1dz2 -0.133986 0.211452 -0.084193 -0.082669 0.001358 0.027017 7C 1dxz 0.080343 -0.010112 -0.017201 0.006088 0.009261 0.182940 7C 1dyz 0.099770 -0.178581 -0.006151 0.182708 -0.024889 -0.043136 7C 1dx2y2 -0.100576 0.172854 0.075868 -0.080324 -0.055758 -0.150053 7C 1dxy 0.015012 0.124925 0.033603 -0.115641 -0.000893 0.088062 7C 2dz2 -0.059043 0.311070 0.315860 -0.181306 0.081422 -0.320713 7C 2dxz -0.118693 -0.026081 0.200061 0.052305 -0.395620 -1.724676 7C 2dyz -0.140422 0.276420 0.191781 -0.482995 -0.022738 -0.363318 7C 2dx2y2 0.190027 -0.794580 -0.286100 0.355345 0.260242 1.145483 7C 2dxy -0.116875 -0.053795 -0.170289 -0.092604 -0.099156 -0.250714 7C 1f0 0.120667 -0.275737 0.002690 0.105040 -0.007617 0.044745 7C 1f+1 -0.082755 0.088350 -0.073558 -0.019366 0.062229 0.227210 7C 1f-1 0.024883 0.036831 0.070780 -0.165267 0.027649 0.091643 7C 1f+2 0.178944 -0.084721 0.027322 0.082589 -0.044161 -0.106961 7C 1f-2 0.061919 -0.111115 0.004596 0.059247 0.026398 -0.159882 7C 1f+3 -0.101554 -0.039494 0.088612 0.079814 -0.013228 -0.046497 7C 1f-3 0.211314 -0.225742 -0.060966 -0.007143 -0.008322 0.117456 8C 1s 0.003555 0.002232 -0.007292 -0.009081 0.000729 0.001147 8C 2s 0.010750 0.006679 -0.021926 -0.027996 0.000869 0.004364 8C 3s 0.017781 0.062214 0.089289 -0.063522 -0.043430 -0.136398 8C 4s -0.455139 -0.589606 0.846136 1.477989 -0.734316 0.655351 8C 5s -0.826860 -0.561643 0.286579 0.103761 -0.043246 -0.922176 8C 1pz 0.008322 0.009510 -0.037337 -0.049835 -0.030709 0.018084 8C 1px 0.007770 -0.029938 -0.048004 0.035423 0.163126 -0.049250 8C 1py 0.009058 0.015730 0.057576 -0.003784 -0.039326 -0.052046 8C 2pz -0.086919 0.123697 -0.061356 0.163758 1.019013 -0.346475 8C 2px -0.148876 0.210936 0.507062 -0.162431 -0.388789 0.204230 8C 2py -0.240305 -0.267002 0.699251 0.945965 -0.436779 0.499526 8C 3pz 0.123546 0.137810 -0.218632 -0.137694 0.082176 0.043868 8C 3px 0.089792 0.063147 0.005635 -0.061379 -0.103733 0.226028 8C 3py -0.277632 -0.191569 0.129194 0.184099 -0.010045 -0.120185 8C 1dz2 0.041953 0.006295 -0.131757 -0.050188 0.127238 0.001790 8C 1dxz 0.020517 -0.000860 -0.020151 0.012985 0.195770 -0.097140 8C 1dyz -0.047549 -0.059789 0.008550 0.118752 0.114996 0.003834 8C 1dx2y2 -0.031435 -0.000285 0.077950 0.058261 0.113376 -0.014851 8C 1dxy 0.013092 -0.018734 -0.107871 -0.004524 0.062202 -0.023191 8C 2dz2 0.084906 0.059736 -0.038820 -0.351721 -0.426963 -0.002769 8C 2dxz -0.035250 -0.067969 0.201262 0.106303 -0.481625 0.154296 8C 2dyz 0.057448 0.117738 0.026811 -0.273420 -0.063907 -0.203118 8C 2dx2y2 0.085897 0.036783 -0.418146 -0.220023 0.399604 -0.218400 8C 2dxy -0.078199 0.148085 0.150998 -0.167063 -0.160697 0.147155 8C 1f0 -0.042153 0.025848 0.093886 0.168710 0.110570 0.012706 8C 1f+1 0.071463 -0.166555 -0.041689 0.036415 0.091384 -0.062463 8C 1f-1 -0.039862 -0.041137 0.079337 0.115480 -0.043426 0.016410 8C 1f+2 -0.023724 0.042150 -0.019524 0.014648 -0.063138 0.044764 8C 1f-2 -0.030646 -0.150090 0.202617 0.235904 0.091488 -0.054426 8C 1f+3 -0.031487 -0.008131 0.104308 0.032078 0.124572 -0.061138 8C 1f-3 0.012442 -0.080840 0.039566 0.027208 -0.047436 0.012214 9C 1s -0.000101 0.004194 0.001667 -0.006232 0.000672 -0.005328 9C 2s -0.000269 0.012812 0.004708 -0.018933 0.001817 -0.014149 9C 3s -0.105310 -0.055352 0.144218 -0.116685 0.051261 0.031176 9C 4s 0.646426 -0.505150 -1.013615 1.315627 -0.128653 1.136997 9C 5s -0.140852 -0.175199 -0.584189 -0.160245 -0.259519 0.488711 9C 1pz 0.039102 0.030941 -0.037501 0.019654 -0.006730 -0.005569 9C 1px 0.000831 0.000052 -0.026180 0.030620 -0.040723 -0.153805 9C 1py -0.013912 0.042383 -0.021736 0.004047 -0.026451 -0.073825 9C 2pz -0.572856 0.541246 0.532871 -0.758556 -0.031132 -0.796783 9C 2px 0.042400 -0.016113 0.119745 -0.371287 0.176413 0.871600 9C 2py 0.038523 -0.284700 0.436995 -0.107167 0.058052 -0.362771 9C 3pz -0.090146 0.078676 0.222125 -0.030483 0.096598 -0.279064 9C 3px 0.120482 -0.069018 -0.014573 -0.092920 0.003729 0.187833 9C 3py 0.004191 0.136444 0.183500 -0.130553 0.048754 -0.029340 9C 1dz2 -0.017290 0.036486 0.020449 -0.063123 0.032721 0.073453 9C 1dxz 0.001427 -0.026552 -0.042489 -0.002741 0.001138 0.016912 9C 1dyz -0.026181 -0.021543 0.075329 -0.084584 0.041802 0.129314 9C 1dx2y2 0.036607 -0.027052 -0.049077 -0.003631 0.037036 0.226458 9C 1dxy -0.015322 -0.076012 -0.015742 0.021964 -0.005312 0.002267 9C 2dz2 0.274777 -0.279468 -0.130089 0.298162 0.026525 0.307454 9C 2dxz -0.037433 -0.120243 -0.077765 0.109247 -0.007876 -0.010540 9C 2dyz 0.074819 0.105922 -0.290608 0.311639 -0.103546 -0.165373 9C 2dx2y2 -0.099982 0.105442 0.128813 0.054655 -0.107887 -0.733321 9C 2dxy 0.099815 -0.051492 -0.050499 0.182989 -0.054958 -0.243406 9C 1f0 -0.013025 0.032240 0.009133 -0.028881 -0.013571 0.023395 9C 1f+1 -0.170393 0.078721 0.076149 0.055888 0.033480 -0.023707 9C 1f-1 0.073254 -0.095571 0.056318 -0.124691 -0.024057 -0.040122 9C 1f+2 0.337301 -0.335095 -0.044341 0.115179 -0.063021 0.047759 9C 1f-2 0.202088 -0.108217 -0.021426 -0.027210 -0.001273 0.028272 9C 1f+3 -0.204101 0.232525 0.016008 -0.117368 0.050596 0.090328 9C 1f-3 0.435759 -0.321123 0.011711 -0.032096 -0.087415 -0.107454 10H 1s -0.020239 -0.000749 -0.009176 -0.019878 -0.039808 -0.140904 10H 2s 0.094920 0.207911 0.022142 -0.204218 -0.113359 -0.626484 10H 3s 0.045434 0.002076 0.058015 0.033168 -0.028882 -0.092678 10H 1pz 0.157266 0.119434 0.043025 -0.083190 -0.002203 -0.179124 10H 1px 0.055430 -0.015958 0.019845 0.060879 0.019074 -0.004621 10H 1py -0.169047 -0.071857 -0.034758 -0.002642 -0.045294 -0.093767 11H 1s 0.002681 -0.063651 0.049783 0.009020 0.017795 0.036471 11H 2s 0.212925 0.138184 -0.090003 0.137062 -0.016072 0.366897 11H 3s -0.003817 -0.061134 -0.009134 -0.008129 -0.001684 -0.099077 11H 1pz -0.008132 0.033171 -0.054703 0.095315 -0.039928 0.035182 11H 1px 0.216336 0.172423 -0.011272 0.038982 0.044578 0.200032 11H 1py 0.181484 0.162478 0.054624 0.140262 0.045856 0.083318 12H 1s 0.019738 0.050464 0.014032 0.065624 0.030688 0.163920 12H 2s -0.344003 -0.375425 -0.072012 -0.284344 -0.012127 0.221370 12H 3s 0.116063 0.161437 0.012284 0.173243 0.002595 0.060896 12H 1pz -0.092967 -0.083107 0.025345 0.005474 0.018272 0.112112 12H 1px -0.281761 -0.271904 -0.034634 -0.075113 -0.030997 0.060291 12H 1py -0.048506 -0.069422 -0.016575 -0.149416 -0.021701 -0.034452 13H 1s -0.001204 -0.011952 0.007230 -0.023081 0.162744 -0.020912 13H 2s 0.067132 -0.039688 -0.364049 -0.097474 0.536816 -0.059809 13H 3s 0.009451 0.007458 0.003224 0.065360 0.089837 -0.116995 13H 1pz 0.015576 -0.077495 -0.117493 -0.046110 0.110093 -0.002964 13H 1px -0.017384 -0.029902 0.000051 0.029641 -0.002414 -0.035266 13H 1py -0.023297 -0.052945 0.074357 0.007399 -0.132267 0.026157 14H 1s 0.009193 0.012918 -0.057086 0.056250 -0.163648 0.038124 14H 2s 0.150043 -0.059283 0.526849 -0.498450 0.210923 0.062839 14H 3s 0.011410 0.009595 -0.206998 0.192651 -0.123508 -0.033885 14H 1pz 0.039550 0.049227 0.071227 -0.099789 0.142689 0.039168 14H 1px 0.057585 -0.070011 0.231113 -0.233899 0.133919 -0.029395 14H 1py -0.027357 -0.006762 -0.136487 0.056117 0.059740 -0.026619 15H 1s -0.004134 0.029573 0.072388 0.024028 -0.052018 -0.040727 15H 2s -0.051790 -0.065883 -0.052785 0.169693 -0.360532 -0.016969 15H 3s 0.005044 0.002150 0.031196 0.011154 0.069093 -0.043585 15H 1pz -0.052429 0.039197 -0.102145 0.166939 -0.043638 -0.001567 15H 1px -0.020547 0.083034 -0.104978 0.149513 -0.229659 0.065942 15H 1py 0.057584 0.053021 0.100415 -0.123507 0.099405 0.001003 16H 1s -0.008389 0.014569 0.034903 0.019541 -0.029962 -0.016299 16H 2s -0.076961 -0.004907 -0.064918 -0.372150 0.150373 0.410726 16H 3s -0.019722 0.031032 0.009956 0.083212 -0.023005 -0.110641 16H 1pz -0.035168 0.001025 0.003547 -0.123561 0.033047 0.152322 16H 1px 0.003458 0.014296 0.012859 -0.008209 -0.009127 0.006245 16H 1py -0.001800 -0.005003 -0.003558 -0.020872 0.012058 0.030300 17H 1s -0.003803 0.002433 0.029648 0.016465 -0.038990 0.021905 17H 2s -0.132682 0.075111 0.010630 -0.322598 0.129661 0.249107 17H 3s 0.038369 -0.009499 -0.008624 0.052638 -0.031018 -0.004661 17H 1pz 0.042027 -0.029383 -0.021528 0.084234 -0.015424 -0.077423 17H 1px 0.028743 -0.010178 -0.013199 0.062083 -0.014284 -0.058288 17H 1py -0.022444 0.010077 0.016790 -0.026779 -0.006138 0.030011 18H 1s 0.004779 -0.003577 -0.028984 0.019808 0.037535 -0.016730 18H 2s -0.070174 -0.059447 -0.031771 -0.310260 -0.111109 -0.264799 18H 3s 0.022729 0.007199 0.014555 0.049260 0.029058 0.006826 18H 1pz -0.016029 -0.025770 -0.027548 -0.079386 -0.011742 -0.080098 18H 1px -0.014739 -0.006833 -0.017210 -0.058980 -0.010710 -0.061717 18H 1py 0.012147 0.007765 0.019285 0.021245 -0.008282 0.029859 19H 1s 0.003499 -0.015112 -0.033912 0.023147 0.027736 0.012913 19H 2s -0.009721 0.016663 0.047459 -0.362228 -0.125392 -0.396173 19H 3s -0.029657 -0.030348 -0.011017 0.080741 0.020701 0.108477 19H 1pz 0.001133 -0.002953 0.009715 0.116269 0.024591 0.146863 19H 1px -0.008479 0.014838 0.012082 0.005873 -0.008662 0.005896 19H 1py -0.004154 -0.005515 -0.003165 0.023460 0.011168 0.032625 20H 1s -0.022960 -0.029063 -0.071964 0.023552 0.048611 0.036325 20H 2s -0.004770 0.062849 0.055580 0.190303 0.351299 -0.010863 20H 3s -0.010750 -0.003097 -0.030891 0.004246 -0.070335 0.052857 20H 1pz 0.074505 0.038102 -0.097501 -0.164830 -0.036810 0.002064 20H 1px 0.016903 0.086747 -0.111086 -0.159681 -0.221615 0.081680 20H 1py -0.042353 0.055338 0.095518 0.128052 0.093085 -0.007014 21H 1s -0.003287 -0.012857 0.059285 0.059312 0.158339 -0.052422 21H 2s 0.252660 0.056721 -0.523178 -0.484960 -0.176198 -0.064954 21H 3s -0.020451 -0.010608 0.214962 0.188442 0.111811 0.026139 21H 1pz -0.085195 0.054286 0.066035 0.095410 0.132624 0.028287 21H 1px -0.087106 -0.071414 0.234213 0.233453 0.118208 -0.036468 21H 1py 0.034269 -0.006385 -0.136685 -0.051049 0.061460 -0.041713 22H 1s 0.007992 0.011712 -0.006773 -0.026556 -0.158403 0.033141 22H 2s 0.044716 0.035040 0.369395 -0.128178 -0.531201 0.139956 22H 3s 0.000877 -0.009116 0.001970 0.059434 -0.089767 0.125560 22H 1pz -0.002317 -0.081084 -0.112607 0.056824 0.108346 -0.020707 22H 1px 0.037196 -0.032477 0.003449 -0.025875 -0.001028 -0.027841 22H 1py 0.012477 -0.057444 0.081090 -0.014569 -0.131775 0.048919 23H 1s -0.004369 -0.051020 -0.014235 0.061427 -0.031913 -0.147123 23H 2s -0.200910 0.394821 0.042669 -0.257052 0.010865 -0.220093 23H 3s 0.064779 -0.167568 0.001459 0.165002 -0.006452 -0.053084 23H 1pz 0.070263 -0.090219 0.034640 -0.009258 0.018158 0.097334 23H 1px 0.263032 -0.299429 -0.005808 0.066925 -0.031936 0.062355 23H 1py -0.021478 -0.070177 -0.014254 0.137331 -0.021379 -0.019638 24H 1s 0.012912 0.063509 -0.048656 0.010087 -0.016951 -0.031905 24H 2s 0.142717 -0.159633 0.113724 0.134105 0.009593 -0.342614 24H 3s 0.016640 0.063411 0.011867 -0.009661 0.001919 0.091806 24H 1pz 0.055660 0.027452 -0.054739 -0.091381 -0.037095 0.032527 24H 1px -0.197291 0.194564 -0.033464 -0.035117 0.045662 0.182073 24H 1py -0.152689 0.178202 0.035329 -0.131970 0.049363 0.072305 25H 1s -0.005447 -0.000560 0.008393 -0.015886 0.039295 0.126851 25H 2s 0.119909 -0.212205 -0.012912 -0.202382 0.116425 0.548991 25H 3s 0.056142 -0.006950 -0.049254 0.035837 0.025768 0.082045 25H 1pz -0.180496 0.135797 0.026785 0.082937 -0.003773 -0.157007 25H 1px -0.051716 -0.007828 0.013327 -0.058589 0.020445 -0.014114 25H 1py 0.194037 -0.093356 -0.016346 0.003859 -0.045325 -0.081955 26O 1s 0.017960 -0.007469 -0.020900 -0.019810 0.018531 0.006295 26O 2s 0.061522 -0.028720 -0.072107 -0.068767 0.064783 0.027495 26O 3s -0.436335 0.305466 0.562807 0.516914 -0.497351 -0.354178 26O 4s 0.758593 -1.050768 -1.186613 -1.030314 0.944740 1.287677 26O 5s -1.260066 -0.093514 0.375633 1.020026 -1.064251 -0.432378 26O 1pz 0.035457 -0.009553 0.092303 0.060774 0.047804 0.258101 26O 1px 0.013150 0.103990 -0.036258 0.064452 -0.089150 -0.311410 26O 1py 0.052571 -0.007837 0.097342 -0.039068 -0.021527 0.039402 26O 2pz -0.036778 0.058284 -0.139300 -0.141954 -0.118347 -0.714581 26O 2px 0.061078 0.127026 0.217070 -0.160243 0.191167 0.261763 26O 2py -0.051551 0.216859 -0.152181 0.111079 0.032672 -0.326415 26O 3pz 0.094658 0.036622 0.254668 0.338887 -0.173340 -0.194556 26O 3px 0.303188 0.090082 0.112481 0.327572 0.015247 -0.353515 26O 3py 0.210688 0.186784 0.234680 0.260700 -0.071358 -0.267034 26O 1dz2 -0.007607 -0.003388 0.000456 0.002494 -0.000517 0.007524 26O 1dxz 0.001765 -0.008072 -0.001179 -0.000144 -0.000235 0.005405 26O 1dyz -0.002969 -0.000153 0.003753 0.005842 -0.002971 -0.000823 26O 1dx2y2 0.007897 0.007200 -0.001225 -0.004983 -0.002435 -0.019519 26O 1dxy -0.000459 0.001258 -0.005921 0.000506 0.003984 -0.008114 26O 2dz2 -0.019076 -0.021965 0.013550 0.003080 0.034001 0.049519 26O 2dxz 0.032364 -0.032450 -0.002504 0.048789 0.072458 0.229734 26O 2dyz -0.018770 0.002131 0.027364 0.042760 0.039537 0.157932 26O 2dx2y2 -0.077795 0.067934 -0.066387 0.098620 -0.083375 -0.137127 26O 2dxy -0.012156 -0.086623 0.040378 -0.075198 0.005969 0.028199 26O 1f0 -0.027871 -0.020118 -0.007713 -0.010383 -0.002040 0.008724 26O 1f+1 -0.005864 -0.010917 0.000675 0.005841 0.002426 0.019592 26O 1f-1 -0.009418 -0.003417 0.000900 0.002011 -0.002268 0.008283 26O 1f+2 0.017215 0.000349 0.004107 0.005932 0.006192 -0.024516 26O 1f-2 -0.003727 0.001365 0.007656 -0.003375 0.002607 -0.002339 26O 1f+3 0.016629 -0.003689 0.012080 -0.005546 -0.003454 -0.007233 26O 1f-3 -0.010379 -0.020293 -0.008842 0.001596 0.007038 0.048393 27O 1s 0.004632 -0.003157 0.010714 0.002665 -0.026101 -0.000444 27O 2s 0.015802 -0.011503 0.040216 0.009113 -0.094608 -0.002160 27O 3s -0.120534 0.131277 -0.384327 -0.043522 0.822721 0.046916 27O 4s 0.244407 -0.507670 1.143629 -0.197381 -2.028614 -0.302580 27O 5s 0.027138 -0.580093 -0.468036 -0.612626 1.737587 -0.523378 27O 1pz 0.044093 0.083418 0.208487 -0.096199 -0.124333 -0.013206 27O 1px 0.002891 -0.010312 -0.132941 -0.080706 0.278393 -0.061559 27O 1py -0.014527 -0.029396 -0.029725 0.019091 0.217728 0.023808 27O 2pz -0.105799 -0.195489 -0.533241 0.231836 0.257774 0.014312 27O 2px -0.037360 0.271770 -0.026091 0.313308 -0.263593 0.338135 27O 2py 0.032428 -0.009894 0.117764 -0.049514 -0.649141 -0.073421 27O 3pz 0.038913 0.037710 -0.197542 -0.081567 0.213373 -0.154647 27O 3px -0.011076 0.321485 -0.152482 0.167136 0.022911 -0.230795 27O 3py -0.054630 -0.059063 0.152842 -0.034102 -0.230787 0.371260 27O 1dz2 -0.003204 0.001501 0.006857 0.005701 -0.006270 -0.000122 27O 1dxz 0.000865 -0.003751 0.004046 -0.004005 -0.013166 0.000240 27O 1dyz 0.001934 0.000898 0.005996 -0.004710 -0.003524 0.000531 27O 1dx2y2 -0.000455 0.000977 -0.009341 -0.000648 0.008259 -0.000981 27O 1dxy -0.000210 -0.000393 -0.009017 0.005595 0.000703 0.007446 27O 2dz2 -0.002227 0.026898 -0.011333 0.013276 -0.060204 0.023570 27O 2dxz 0.052141 0.079116 0.288916 -0.105899 -0.070832 -0.029892 27O 2dyz -0.011492 -0.021552 -0.037215 -0.005911 -0.005983 -0.007454 27O 2dx2y2 -0.006303 -0.037657 -0.003855 -0.044714 0.170554 -0.011006 27O 2dxy 0.001845 0.008057 0.036224 -0.085065 0.302564 0.034578 27O 1f0 0.000179 -0.003298 0.000334 0.000389 -0.015587 0.008012 27O 1f+1 0.008392 -0.006329 0.024034 -0.014719 -0.031408 -0.000871 27O 1f-1 0.002616 -0.002178 0.005091 -0.005719 0.011211 -0.000154 27O 1f+2 -0.000580 0.007109 0.002219 0.007506 0.003089 -0.019483 27O 1f-2 -0.002139 -0.001886 -0.006670 0.005810 0.000447 -0.011390 27O 1f+3 -0.001784 -0.008006 -0.003125 0.012889 -0.023608 -0.006100 27O 1f-3 0.004401 0.009595 -0.028183 0.013566 0.005782 -0.007066 28O 1s -0.021677 -0.009511 -0.007314 0.013431 -0.006670 0.020489 28O 2s -0.072432 -0.032930 -0.025159 0.048003 -0.021466 0.076762 28O 3s 0.496099 0.260555 0.216228 -0.385878 0.105860 -0.784297 28O 4s -0.832197 -0.649753 -0.557296 0.770013 0.162362 2.807752 28O 5s 0.912113 0.629074 -0.066065 -0.933007 0.490738 -0.021971 28O 1pz -0.135538 -0.198734 0.036543 -0.140420 0.027672 0.056836 28O 1px 0.029823 -0.136754 0.005546 -0.006441 0.010233 0.013045 28O 1py 0.161350 0.060266 0.062115 0.024478 0.036308 0.099572 28O 2pz 0.220428 0.501007 0.042337 0.270549 -0.201376 -0.703475 28O 2px 0.053882 0.292979 -0.105846 0.072949 0.163920 0.672798 28O 2py -0.406303 -0.158678 -0.099698 -0.070739 -0.096629 -0.355793 28O 3pz -0.270296 -0.071830 0.336788 -0.172029 -0.193947 -0.327254 28O 3px 0.139570 0.028059 -0.202034 -0.216025 0.104028 0.122110 28O 3py 0.025006 0.107820 0.192676 -0.028011 -0.011918 -0.153702 28O 1dz2 0.005826 0.002570 0.000588 -0.005264 0.001936 0.005607 28O 1dxz 0.009318 -0.000851 -0.001189 0.000395 0.000294 -0.011317 28O 1dyz 0.000979 -0.002578 -0.001150 -0.007748 -0.000786 -0.011348 28O 1dx2y2 -0.011837 -0.005662 -0.001822 -0.003311 0.000033 -0.006305 28O 1dxy 0.009404 0.011591 0.001078 0.005798 -0.002431 -0.002289 28O 2dz2 -0.144961 -0.255701 0.020281 -0.089347 -0.023783 0.000886 28O 2dxz 0.002189 0.041926 0.014169 0.014336 -0.034424 -0.116597 28O 2dyz 0.207774 0.141004 0.015759 0.060165 -0.002568 0.004575 28O 2dx2y2 0.058857 0.120480 -0.042597 0.006357 0.026438 -0.027606 28O 2dxy -0.188309 -0.149465 -0.022095 -0.120246 -0.041991 -0.234939 28O 1f0 -0.006075 -0.008031 -0.001971 0.003723 0.002161 0.001286 28O 1f+1 0.030155 0.025872 -0.021746 0.011126 0.006934 0.017262 28O 1f-1 0.009669 0.010367 -0.005706 -0.001476 -0.003863 -0.034138 28O 1f+2 -0.015182 -0.001342 0.001757 -0.003687 -0.007765 -0.025181 28O 1f-2 -0.022647 -0.030625 -0.010558 -0.028597 0.005288 -0.004500 28O 1f+3 0.007510 0.012329 -0.006954 -0.003449 -0.006423 -0.032186 28O 1f-3 -0.015395 -0.030085 -0.011798 -0.034122 -0.002638 -0.033517 29O 1s -0.003009 0.004520 0.000338 -0.010714 0.004986 0.015603 29O 2s -0.009877 0.015271 0.000583 -0.036086 0.017462 0.052259 29O 3s 0.058517 -0.105929 0.003877 0.234217 -0.125955 -0.345344 29O 4s -0.107702 0.166291 -0.008268 -0.432421 0.229495 0.586966 29O 5s 0.352775 -0.169789 -0.036388 1.096484 -0.418667 -1.175417 29O 1pz 0.004950 -0.012927 -0.005903 0.025221 -0.002308 -0.053066 29O 1px -0.015604 0.052079 0.024365 -0.046145 0.002803 0.099092 29O 1py 0.017255 -0.001289 -0.014420 0.025799 -0.004495 -0.038992 29O 2pz -0.011898 0.009001 -0.002327 -0.100277 0.030153 0.176930 29O 2px 0.066763 -0.111417 -0.059215 0.172207 -0.025428 -0.267471 29O 2py -0.067152 0.010896 0.044235 -0.132212 0.023571 0.170869 29O 3pz 0.042629 -0.041922 -0.057032 0.052235 -0.026467 -0.044576 29O 3px -0.075978 0.035221 0.034817 -0.274609 0.071563 0.338075 29O 3py -0.063910 0.053948 -0.081670 -0.256582 0.143073 0.147830 29O 1dz2 -0.000331 -0.001759 -0.000135 -0.002120 -0.000158 0.003744 29O 1dxz -0.001938 0.000390 0.002208 -0.001451 0.000534 -0.001309 29O 1dyz -0.000017 -0.000665 -0.001774 -0.001946 0.002522 0.001674 29O 1dx2y2 0.000888 0.002103 0.000631 0.003616 -0.001500 -0.003094 29O 1dxy 0.001305 -0.001302 0.002021 0.003107 -0.002355 0.001590 29O 2dz2 0.009214 -0.005550 -0.005885 0.024840 -0.008803 -0.037156 29O 2dxz 0.010314 -0.005691 -0.002034 0.010584 0.006534 -0.033696 29O 2dyz -0.001975 0.004624 0.000296 0.014754 0.000321 -0.031955 29O 2dx2y2 0.000324 0.012595 0.001610 0.004661 0.001230 0.003673 29O 2dxy -0.020772 0.015777 0.034210 -0.034301 -0.015394 0.064291 29O 1f0 -0.001206 0.000842 -0.002851 -0.006073 0.004641 0.004879 29O 1f+1 0.001415 -0.000952 0.000757 0.003618 -0.002713 -0.001446 29O 1f-1 -0.000062 -0.001380 -0.005585 -0.005000 0.006432 0.002632 29O 1f+2 -0.001083 -0.000438 0.000988 0.001520 -0.000842 -0.004912 29O 1f-2 -0.000147 0.000210 -0.003191 -0.004192 0.004914 -0.000720 29O 1f+3 -0.000619 -0.001837 -0.000930 -0.003408 0.001519 0.002600 29O 1f-3 -0.000516 0.001269 0.001453 0.002986 -0.001755 -0.002817 30O 1s -0.009611 -0.006122 0.018007 -0.017669 -0.008910 0.025413 30O 2s -0.033940 -0.020178 0.064041 -0.060627 -0.038609 0.088065 30O 3s 0.257276 0.132454 -0.569140 0.455770 0.517610 -0.682503 30O 4s -0.468182 -0.129278 1.699768 -0.940750 -2.274606 1.433237 30O 5s 0.846698 0.162058 -0.488001 1.006881 -0.365061 -1.136593 30O 1pz 0.041716 0.022397 -0.072137 0.086903 -0.077340 -0.092031 30O 1px -0.006438 0.015117 0.084041 -0.092710 -0.094555 -0.109636 30O 1py -0.089335 0.024005 -0.200563 0.120793 -0.051038 0.149068 30O 2pz -0.103081 -0.094606 -0.028613 -0.193370 0.670336 0.134105 30O 2px 0.022413 0.039834 0.104143 0.216704 -0.416885 0.341078 30O 2py 0.192233 -0.041849 0.684960 -0.289886 -0.358305 -0.279784 30O 3pz 0.127828 0.094240 -0.081652 0.341013 0.470986 0.004923 30O 3px 0.112050 0.010689 0.006847 -0.045671 -0.235257 -0.313599 30O 3py -0.179538 -0.081247 -0.046755 -0.232493 -0.566569 0.123127 30O 1dz2 0.000378 0.000412 0.005952 -0.003250 0.000513 -0.000185 30O 1dxz -0.000551 0.004236 -0.008751 0.006036 -0.011594 -0.005613 30O 1dyz -0.004121 -0.000667 -0.001385 0.000323 -0.010434 -0.001360 30O 1dx2y2 -0.000804 -0.000188 -0.004507 0.002919 0.003255 0.000453 30O 1dxy 0.001245 0.000303 0.000406 0.001886 -0.010431 0.006454 30O 2dz2 -0.020371 0.044627 -0.123284 0.122078 -0.225086 0.025088 30O 2dxz 0.015870 -0.025052 0.155521 -0.142417 0.192360 -0.031827 30O 2dyz -0.017524 -0.009331 -0.004663 -0.018154 0.044027 0.041811 30O 2dx2y2 -0.012301 0.016716 -0.191841 0.132541 0.020918 0.056988 30O 2dxy 0.013773 -0.011994 0.168883 -0.082959 -0.046053 -0.012282 30O 1f0 0.003044 0.003029 0.020379 0.000870 -0.036769 0.004905 30O 1f+1 0.009278 -0.007860 0.040403 -0.046660 0.045745 -0.006053 30O 1f-1 0.001116 -0.004182 0.013908 -0.014839 0.001336 0.004616 30O 1f+2 -0.004668 -0.004538 -0.024934 0.019306 -0.013716 0.005944 30O 1f-2 0.000287 -0.002458 -0.021050 0.007420 0.029533 -0.001942 30O 1f+3 0.000404 -0.008228 -0.017942 -0.001132 -0.001664 0.001053 30O 1f-3 0.004077 -0.001117 0.017052 -0.019146 0.025287 0.002257 31O 1s -0.004997 0.007107 -0.019625 -0.015813 0.009388 -0.028632 31O 2s -0.018234 0.023621 -0.069628 -0.053929 0.040095 -0.100267 31O 3s 0.129924 -0.157938 0.608225 0.393687 -0.525372 0.805531 31O 4s -0.144953 0.175341 -1.756418 -0.747714 2.274428 -1.844899 31O 5s 0.866744 -0.248599 0.623462 0.983070 0.343411 1.338471 31O 1pz -0.017524 0.026982 -0.082205 -0.086234 -0.073425 -0.088884 31O 1px 0.058219 0.012114 0.081024 0.098225 -0.094577 -0.089378 31O 1py 0.064882 0.022614 -0.192236 -0.126945 -0.045182 0.145405 31O 2pz 0.088176 -0.107407 0.003155 0.220725 0.654986 0.065969 31O 2px -0.190711 0.049330 0.099655 -0.267874 -0.407493 0.376918 31O 2py -0.187856 -0.037130 0.660113 0.274037 -0.365834 -0.209628 31O 3pz -0.130337 0.107509 -0.104740 -0.329526 0.480340 -0.015058 31O 3px -0.096134 0.019956 -0.009066 0.050016 -0.239225 -0.353046 31O 3py 0.174560 -0.095378 -0.023237 0.215143 -0.568545 0.171302 31O 1dz2 -0.000192 -0.000307 -0.005983 -0.003305 -0.000537 -0.000769 31O 1dxz -0.002026 -0.004309 0.009236 0.006105 0.011025 0.004306 31O 1dyz -0.005424 0.001002 0.000774 0.000420 0.010120 -0.000513 31O 1dx2y2 -0.000984 0.000301 0.004025 0.002713 -0.003201 0.000182 31O 1dxy 0.002207 -0.000328 -0.000302 0.002605 0.010245 -0.007176 31O 2dz2 -0.048387 -0.045231 0.129355 0.127627 0.216156 -0.048017 31O 2dxz 0.021538 0.027221 -0.159004 -0.147686 -0.183757 0.040640 31O 2dyz -0.004608 0.011889 -0.002374 -0.017310 -0.043390 -0.041572 31O 2dx2y2 0.007265 -0.019272 0.190824 0.133533 -0.025008 -0.039715 31O 2dxy 0.034536 0.012725 -0.170648 -0.077444 0.049069 -0.002508 31O 1f0 -0.003870 0.003230 0.019418 -0.002855 -0.036308 0.009754 31O 1f+1 -0.013625 -0.007560 0.040672 0.047667 0.042912 -0.009481 31O 1f-1 -0.001872 -0.004511 0.014719 0.014862 0.000744 0.004908 31O 1f+2 0.005537 -0.004624 -0.024555 -0.019322 -0.012655 0.005111 31O 1f-2 0.003951 -0.002648 -0.020764 -0.005419 0.029607 -0.004911 31O 1f+3 -0.001795 -0.007946 -0.018404 0.001186 -0.001889 -0.001013 31O 1f-3 -0.006151 -0.001039 0.017577 0.019574 0.023841 -0.000402 32O 1s 0.000851 -0.004242 -0.000746 -0.009907 -0.004375 -0.015684 32O 2s 0.002966 -0.014360 -0.001945 -0.033413 -0.015414 -0.052555 32O 3s -0.024622 0.100743 0.004358 0.216935 0.112911 0.347705 32O 4s 0.032075 -0.157480 -0.008312 -0.403084 -0.207215 -0.590841 32O 5s 0.075062 0.135372 0.094968 1.039468 0.360753 1.177627 32O 1pz 0.008293 -0.012323 -0.005086 -0.021398 -0.001913 -0.054080 32O 1px -0.017403 0.051672 0.025215 0.038310 0.000519 0.098420 32O 1py -0.003470 -0.000609 -0.016125 -0.022774 -0.004095 -0.038393 32O 2pz -0.026140 0.006677 -0.003099 0.089219 0.024890 0.170181 32O 2px 0.016309 -0.106933 -0.066650 -0.153644 -0.016898 -0.269433 32O 2py 0.016007 0.005522 0.051997 0.121561 0.018135 0.171364 32O 3pz -0.015063 -0.039454 -0.058832 -0.047547 -0.028706 -0.058480 32O 3px -0.010935 0.030331 0.047885 0.253425 0.059221 0.333390 32O 3py 0.048178 0.043231 -0.067460 0.258330 0.127684 0.148814 32O 1dz2 0.000257 0.001767 0.000031 -0.001980 0.000243 -0.003474 32O 1dxz -0.001344 -0.000261 -0.002406 -0.001337 -0.000553 0.001162 32O 1dyz -0.000165 0.000776 0.001721 -0.002080 -0.002376 -0.001628 32O 1dx2y2 0.000578 -0.002204 -0.000338 0.003556 0.001288 0.003163 32O 1dxy 0.001693 0.001124 -0.001747 0.003338 0.002217 -0.001745 32O 2dz2 -0.001922 0.004717 0.007057 0.022115 0.006198 0.035911 32O 2dxz 0.006016 0.005266 0.004137 0.009500 -0.007971 0.034499 32O 2dyz -0.010988 -0.004521 -0.000128 0.013770 -0.001672 0.030508 32O 2dx2y2 0.003984 -0.012066 -0.000239 0.005257 -0.001341 -0.003283 32O 2dxy 0.001397 -0.014258 -0.035745 -0.028115 0.016819 -0.065332 32O 1f0 0.001064 0.000671 -0.002179 0.005752 0.003791 0.004747 32O 1f+1 -0.000817 -0.000773 0.000637 -0.003823 -0.002643 -0.001519 32O 1f-1 0.001352 -0.001616 -0.005329 0.005800 0.006149 0.002320 32O 1f+2 0.001403 -0.000386 0.001402 -0.001829 -0.001063 -0.004897 32O 1f-2 0.000457 0.000013 -0.002957 0.004193 0.004527 -0.000136 32O 1f+3 0.000783 -0.001964 -0.000771 0.003633 0.001438 0.002391 32O 1f-3 0.000445 0.001331 0.001403 -0.002877 -0.001471 -0.003421 33O 1s -0.020536 0.010336 0.005139 0.014118 0.006081 -0.018204 33O 2s -0.069373 0.035712 0.017864 0.050195 0.019469 -0.067799 33O 3s 0.489822 -0.279703 -0.165450 -0.398747 -0.092285 0.685244 33O 4s -0.872721 0.681855 0.463518 0.782564 -0.175844 -2.434623 33O 5s 0.902992 -0.661577 0.165302 -0.959260 -0.466977 -0.110882 33O 1pz 0.095056 -0.205521 0.051886 0.131690 0.023161 0.053844 33O 1px -0.020352 -0.134160 0.002039 0.007389 0.009030 -0.001391 33O 1py -0.140071 0.080097 0.046497 -0.021913 0.036278 0.086431 33O 2pz -0.159678 0.514374 0.015445 -0.256800 -0.187830 -0.619150 33O 2px -0.044407 0.293203 -0.108348 -0.068209 0.161764 0.610114 33O 2py 0.346743 -0.207087 -0.060397 0.062797 -0.097361 -0.312257 33O 3pz 0.136682 -0.081934 0.362712 0.135479 -0.201207 -0.291175 33O 3px -0.089101 0.031187 -0.216086 0.233177 0.099362 0.144379 33O 3py -0.091442 0.118135 0.186523 0.013105 -0.011186 -0.126155 33O 1dz2 0.006478 -0.003296 -0.000025 -0.005071 -0.001672 -0.005122 33O 1dxz 0.007864 0.000694 0.002278 -0.000071 -0.000186 0.011684 33O 1dyz 0.003248 0.002586 0.001441 -0.007316 0.000979 0.009467 33O 1dx2y2 -0.009683 0.006483 0.000689 -0.003026 -0.000065 0.004816 33O 1dxy 0.007121 -0.012340 -0.000070 0.005432 0.002180 0.001875 33O 2dz2 -0.109738 0.270142 -0.033056 -0.079954 0.026330 0.000787 33O 2dxz -0.002313 -0.045528 -0.014371 0.014276 0.033667 0.104925 33O 2dyz 0.177689 -0.161181 0.007325 0.055597 -0.000101 -0.005763 33O 2dx2y2 0.039621 -0.120483 0.048175 -0.000127 -0.025865 0.020824 33O 2dxy -0.142511 0.170556 0.003807 -0.113123 0.044448 0.204971 33O 1f0 0.007631 -0.009381 -0.001535 -0.003525 0.002062 0.000355 33O 1f+1 -0.016810 0.027942 -0.024400 -0.008816 0.007079 0.015163 33O 1f-1 -0.007693 0.010969 -0.006827 0.001939 -0.003802 -0.031599 33O 1f+2 0.014259 -0.002736 0.003491 0.003385 -0.007609 -0.021011 33O 1f-2 0.016139 -0.032988 -0.008043 0.027911 0.004492 -0.003364 33O 1f+3 -0.003702 0.012434 -0.007695 0.004248 -0.006385 -0.028095 33O 1f-3 0.006662 -0.031317 -0.010279 0.033053 -0.003247 -0.029912 34O 1s 0.005824 0.002520 -0.009726 0.003917 0.025981 0.000396 34O 2s 0.019712 0.009338 -0.036815 0.013602 0.094143 0.001305 34O 3s -0.140769 -0.116230 0.358931 -0.079619 -0.818784 -0.023244 34O 4s 0.211069 0.487406 -1.096013 -0.127494 2.025024 0.173679 34O 5s -0.088870 0.605617 0.428730 -0.726050 -1.694661 0.641757 34O 1pz -0.048549 0.086343 0.200436 0.087594 -0.125750 0.011345 34O 1px 0.007116 -0.010890 -0.131238 0.097413 0.271475 -0.090510 34O 1py -0.017361 -0.027329 -0.022731 -0.015338 0.211730 -0.007879 34O 2pz 0.138156 -0.203435 -0.514013 -0.208255 0.263233 -0.040431 34O 2px -0.034412 0.277238 -0.029183 -0.349354 -0.247044 0.348950 34O 2py 0.039232 -0.015758 0.103713 0.036552 -0.634222 0.016004 34O 3pz 0.008281 0.037340 -0.198511 0.105415 0.206845 -0.185522 34O 3px 0.076602 0.320389 -0.158564 -0.152313 0.027790 -0.227957 34O 3py -0.025159 -0.059604 0.162970 0.002373 -0.230364 0.407026 34O 1dz2 -0.001638 -0.001347 -0.007000 0.006365 0.006029 -0.001114 34O 1dxz -0.000300 0.004012 -0.004048 -0.003723 0.012987 -0.002493 34O 1dyz 0.002127 -0.001055 -0.005674 -0.004439 0.003784 -0.001121 34O 1dx2y2 -0.000977 -0.001050 0.009388 -0.001304 -0.008116 0.003329 34O 1dxy 0.000505 0.000350 0.008901 0.005670 -0.000935 -0.006968 34O 2dz2 0.000199 -0.026765 0.013521 0.016796 0.059197 -0.028353 34O 2dxz 0.067417 -0.084161 -0.279695 -0.096293 0.076166 0.014600 34O 2dyz -0.019734 0.022882 0.036570 -0.007977 0.005236 0.001578 34O 2dx2y2 0.007548 0.037274 0.001428 -0.049930 -0.165825 0.021437 34O 2dxy 0.041143 -0.010267 -0.038964 -0.088683 -0.291610 -0.007260 34O 1f0 -0.002446 -0.003394 0.000311 -0.001525 -0.015261 0.009460 34O 1f+1 -0.007125 -0.006197 0.023115 0.013679 -0.031636 0.003126 34O 1f-1 -0.002666 -0.002261 0.004988 0.006211 0.010902 -0.000901 34O 1f+2 0.003972 0.007395 0.001629 -0.006581 0.003219 -0.019826 34O 1f-2 0.006338 -0.002053 -0.006761 -0.004743 0.000788 -0.011137 34O 1f+3 0.007643 -0.008388 -0.003066 -0.012509 -0.022383 -0.003803 34O 1f-3 0.002862 0.009966 -0.029528 -0.011682 0.006802 -0.008317 35O 1s 0.011327 0.006916 0.021764 -0.021945 -0.017462 -0.005221 35O 2s 0.038460 0.026800 0.074985 -0.076114 -0.061043 -0.023136 35O 3s -0.255949 -0.290531 -0.580678 0.571908 0.469220 0.305665 35O 4s 0.368659 1.014086 1.207273 -1.133794 -0.891957 -1.122519 35O 5s -0.947005 0.122859 -0.436476 1.120022 0.976318 0.241768 35O 1pz -0.020482 -0.006980 0.088365 -0.062799 0.046396 0.220956 35O 1px -0.002024 0.103291 -0.042734 -0.063912 -0.083896 -0.277135 35O 1py -0.104375 0.002493 0.088389 0.030314 -0.021281 0.030777 35O 2pz -0.016520 0.055660 -0.136599 0.143757 -0.115092 -0.618854 35O 2px -0.134144 0.126142 0.218303 0.155341 0.176111 0.226830 35O 2py 0.171434 0.191676 -0.140445 -0.089414 0.030692 -0.285475 35O 3pz -0.132407 0.047881 0.222801 -0.354885 -0.150973 -0.145692 35O 3px -0.240883 0.104034 0.074018 -0.313527 0.021436 -0.372728 35O 3py -0.214597 0.201880 0.197254 -0.263060 -0.057615 -0.238917 35O 1dz2 -0.007071 0.003862 -0.001369 0.002742 0.000455 -0.006654 35O 1dxz 0.002087 0.007507 0.001363 -0.000049 0.000142 -0.004129 35O 1dyz -0.001997 0.000099 -0.003875 0.006081 0.002662 0.000521 35O 1dx2y2 0.008951 -0.007700 0.002202 -0.005081 0.002397 0.016515 35O 1dxy -0.003013 -0.000848 0.005885 -0.000200 -0.004026 0.007248 35O 2dz2 -0.021786 0.026119 -0.015902 0.002677 -0.032861 -0.048297 35O 2dxz -0.027092 0.035575 0.003142 0.040520 -0.068996 -0.197862 35O 2dyz -0.026579 -0.001194 -0.029517 0.041953 -0.039825 -0.148797 35O 2dx2y2 -0.127262 -0.055390 0.059576 0.094473 0.080024 0.118074 35O 2dxy 0.048914 0.079604 -0.039907 -0.067580 -0.005870 -0.026497 35O 1f0 0.022165 -0.021842 -0.004731 0.009293 -0.001983 0.009001 35O 1f+1 0.007254 -0.011303 0.001266 -0.005904 0.002530 0.018355 35O 1f-1 0.010533 -0.004343 0.002085 -0.002110 -0.002226 0.008292 35O 1f+2 -0.012318 0.000450 0.002000 -0.004822 0.006037 -0.023870 35O 1f-2 0.001563 0.000935 0.008137 0.003058 0.002378 -0.002371 35O 1f+3 -0.019592 -0.001999 0.010201 0.005343 -0.003395 -0.006603 35O 1f-3 0.012664 -0.020437 -0.007330 -0.001455 0.007090 0.043854 528 529 530 531 532 533 3.35769 3.38213 3.38316 3.39879 3.40040 3.42194 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s 0.000177 0.000440 0.000533 -0.000336 -0.000656 0.000052 0Rh 2s -0.002990 -0.003417 -0.000664 -0.001605 0.001818 -0.000146 0Rh 3s -0.000758 0.000552 0.002768 -0.002975 -0.002803 0.000222 0Rh 4s 0.015825 0.018465 0.004047 0.008035 -0.010135 0.000827 0Rh 5s -0.036676 -0.038311 0.002584 -0.029106 0.008768 -0.000921 0Rh 6s 0.039066 0.027444 -0.044681 0.067747 0.045639 -0.002518 0Rh 7s -0.025021 0.007250 0.313166 -0.469818 -0.112881 0.018904 0Rh 8s -0.055272 0.057552 0.052213 -0.081331 -0.049563 -0.040311 0Rh 1pz -0.001036 0.010088 -0.000233 0.002261 0.002556 0.001662 0Rh 1px -0.001911 0.005506 0.003548 -0.004844 -0.003158 0.000147 0Rh 1py 0.000242 -0.000138 0.002735 -0.005788 0.008447 0.000816 0Rh 2pz 0.004081 -0.039192 0.000763 -0.008290 -0.009938 -0.006558 0Rh 2px 0.007197 -0.021125 -0.013101 0.017792 0.011706 -0.000633 0Rh 2py -0.000980 0.000898 -0.010301 0.022430 -0.032724 -0.003288 0Rh 3pz -0.010808 0.093558 0.000523 0.008858 0.023589 0.018108 0Rh 3px -0.012053 0.044272 0.015786 -0.019669 -0.015130 0.003037 0Rh 3py 0.003052 -0.010004 0.017633 -0.051719 0.076335 0.009953 0Rh 4pz 0.014171 -0.096330 -0.004980 0.030717 -0.021116 -0.029058 0Rh 4px -0.007153 -0.021141 0.043656 -0.064628 -0.035522 -0.009693 0Rh 4py -0.004572 0.038163 0.006562 0.043745 -0.073679 -0.015236 0Rh 5pz -0.018800 0.132978 0.006114 -0.078323 -0.000030 0.055252 0Rh 5px 0.030612 -0.000448 -0.129630 0.170360 0.136817 0.022939 0Rh 5py 0.006465 -0.069528 -0.033770 -0.043471 0.097994 0.017546 0Rh 6pz -0.264698 0.969693 -0.133120 -0.133019 1.114883 -0.029490 0Rh 6px -0.117196 0.448823 0.146311 0.236463 -1.305548 -0.108653 0Rh 6py -0.174085 -0.496118 0.196604 -0.548594 0.892479 0.286886 0Rh 1dz2 0.005164 0.012515 -0.000962 0.008467 -0.005432 -0.014585 0Rh 1dxz -0.007285 0.010564 0.024366 0.006996 -0.001372 -0.003765 0Rh 1dyz -0.003934 -0.012047 -0.001007 -0.005585 0.000443 -0.037414 0Rh 1dx2y2 0.004808 0.006240 0.004075 0.020810 0.026509 -0.016793 0Rh 1dxy 0.001774 -0.004747 0.001419 -0.012221 0.001694 -0.005871 0Rh 2dz2 -0.000049 0.002540 -0.000482 0.002342 0.000648 -0.000700 0Rh 2dxz -0.000183 0.000430 0.003375 0.002289 0.001164 -0.001574 0Rh 2dyz -0.004303 -0.001609 0.001774 0.001386 0.002234 -0.002169 0Rh 2dx2y2 -0.000570 0.000426 0.002382 0.001797 0.003023 -0.001654 0Rh 2dxy -0.001146 -0.000519 0.002331 -0.001172 -0.001250 0.000528 0Rh 3dz2 -0.016463 -0.053423 0.005609 -0.039252 0.015264 0.052374 0Rh 3dxz 0.025059 -0.037451 -0.097088 -0.034068 -0.000479 0.019963 0Rh 3dyz 0.034012 0.048101 -0.004384 0.012510 -0.011739 0.135962 0Rh 3dx2y2 -0.013113 -0.022773 -0.024546 -0.077955 -0.102955 0.064115 0Rh 3dxy -0.000233 0.018342 -0.015190 0.046535 -0.000008 0.017379 0Rh 4dz2 -0.000298 0.061519 -0.013410 0.052110 -0.003116 -0.046403 0Rh 4dxz -0.017272 0.030667 0.103461 0.049423 0.009478 -0.032019 0Rh 4dyz -0.095639 -0.058595 0.014740 0.004379 0.033778 -0.123474 0Rh 4dx2y2 -0.003170 0.017114 0.042263 0.071207 0.105562 -0.062000 0Rh 4dxy -0.021654 -0.019995 0.031823 -0.046100 -0.014178 -0.009488 0Rh 5dz2 0.183150 0.000744 0.090575 0.006177 -0.053404 0.077783 0Rh 5dxz -0.027579 0.016301 -0.064703 -0.050645 -0.016893 0.051048 0Rh 5dyz 0.530376 0.179119 0.107945 0.016190 -0.092001 0.206605 0Rh 5dx2y2 0.102867 0.072711 -0.030312 -0.008442 -0.021811 0.020875 0Rh 5dxy 0.193929 0.046059 0.010936 0.015046 0.077581 0.079243 0Rh 1f0 0.005185 -0.000531 0.000365 0.003044 -0.021509 0.011514 0Rh 1f+1 -0.010135 -0.020571 -0.009814 0.000328 0.016471 -0.021709 0Rh 1f-1 0.011787 -0.032694 -0.008404 -0.001822 0.000445 0.021742 0Rh 1f+2 0.005625 0.022409 0.001610 0.001381 0.002026 0.014322 0Rh 1f-2 -0.038291 -0.006917 -0.001859 0.018832 -0.004216 -0.025938 0Rh 1f+3 0.016191 -0.002269 -0.008433 -0.005033 0.031526 -0.005011 0Rh 1f-3 0.010168 -0.009430 -0.007227 0.005698 -0.001636 0.022666 1Rh 1s 0.000299 0.000110 0.000657 -0.000653 0.000281 -0.000074 1Rh 2s -0.003877 0.001337 -0.002471 -0.000292 -0.002502 0.000226 1Rh 3s -0.000573 0.001462 0.002411 -0.004060 0.000158 -0.000305 1Rh 4s 0.020603 -0.006945 0.013706 0.000895 0.013331 -0.001280 1Rh 5s -0.046172 0.021417 -0.020155 -0.019373 -0.026613 0.001650 1Rh 6s 0.044007 -0.042801 -0.017818 0.083568 0.010786 0.002704 1Rh 7s -0.055741 0.196063 0.234337 -0.427444 -0.223883 -0.019993 1Rh 8s -0.077032 -0.016983 0.079883 -0.088208 -0.018329 0.032385 1Rh 1pz 0.001112 0.007131 -0.006822 -0.003734 0.000434 0.002117 1Rh 1px 0.002061 0.001656 -0.006439 0.005469 0.000798 0.000289 1Rh 1py -0.000755 -0.002000 -0.001883 -0.000811 0.010236 0.001720 1Rh 2pz -0.004437 -0.027650 0.026609 0.014150 -0.002001 -0.008268 1Rh 2px -0.007776 -0.006682 0.024326 -0.020105 -0.002842 -0.001165 1Rh 2py 0.002925 0.007806 0.006836 0.003134 -0.039655 -0.006703 1Rh 3pz 0.012966 0.065360 -0.065320 -0.025733 0.011517 0.020874 1Rh 3px 0.013515 0.021520 -0.042293 0.022425 0.001257 0.003844 1Rh 3py -0.006727 -0.019433 -0.005971 -0.007676 0.092047 0.015862 1Rh 4pz -0.020633 -0.067846 0.071010 -0.004614 -0.034470 -0.026770 1Rh 4px 0.004582 -0.043405 -0.017867 0.074276 0.016732 -0.008754 1Rh 4py 0.005198 0.022805 -0.030562 0.011660 -0.084728 -0.012357 1Rh 5pz 0.026951 0.097231 -0.098758 0.052327 0.048434 0.047274 1Rh 5px -0.019994 0.084293 0.096918 -0.221389 -0.011085 0.019986 1Rh 5py -0.006894 -0.026633 0.071343 -0.025707 0.103385 0.004580 1Rh 6pz 0.445536 0.803306 -0.556971 -0.697176 0.920296 -0.030009 1Rh 6px -0.041867 0.219324 -0.434052 0.671474 -1.135086 -0.112346 1Rh 6py 0.218970 -0.476331 0.196462 -0.159818 1.030776 0.296928 1Rh 1dz2 0.006778 -0.009286 0.008382 0.002713 0.009563 0.013946 1Rh 1dxz -0.006855 0.008998 0.024569 0.004408 0.005879 0.004274 1Rh 1dyz -0.004065 0.007631 -0.009298 -0.004568 -0.004183 0.037317 1Rh 1dx2y2 0.001611 -0.001130 0.006335 0.032832 -0.006429 0.017112 1Rh 1dxy -0.002899 0.003983 -0.002587 -0.007271 -0.008814 0.006022 1Rh 2dz2 0.000410 -0.002051 0.001486 0.002155 0.000984 0.000667 1Rh 2dxz -0.000383 0.002003 0.002603 0.002476 0.000637 0.001744 1Rh 2dyz -0.003504 0.002386 0.000180 0.002286 -0.000980 0.002297 1Rh 2dx2y2 -0.000614 0.001361 0.001943 0.003226 -0.001173 0.001654 1Rh 2dxy -0.001563 0.001926 0.001324 -0.001547 0.000195 -0.000372 1Rh 3dz2 -0.023959 0.040533 -0.034666 -0.019059 -0.036679 -0.050066 1Rh 3dxz 0.024515 -0.039250 -0.094296 -0.026047 -0.022912 -0.022458 1Rh 3dyz 0.030751 -0.036484 0.030839 0.004952 0.018610 -0.136208 1Rh 3dx2y2 -0.002240 -0.002476 -0.030073 -0.124940 0.027118 -0.065188 1Rh 3dxy 0.017226 -0.022033 0.002817 0.031579 0.028828 -0.018596 1Rh 4dz2 0.010049 -0.051250 0.034947 0.036418 0.035536 0.044401 1Rh 4dxz -0.018769 0.048663 0.093320 0.043273 0.026076 0.035673 1Rh 4dyz -0.083988 0.051146 -0.030068 0.020355 -0.025810 0.124900 1Rh 4dx2y2 -0.011037 0.018142 0.039452 0.120608 -0.034068 0.062709 1Rh 4dxy -0.037336 0.034369 0.008497 -0.040124 -0.018131 0.012030 1Rh 5dz2 0.174713 0.063205 0.064250 -0.027452 0.043991 -0.076398 1Rh 5dxz -0.020730 -0.056811 -0.031715 -0.047125 -0.019454 -0.056603 1Rh 5dyz 0.504753 -0.046007 0.198645 -0.033979 0.083211 -0.207094 1Rh 5dx2y2 0.093151 -0.069797 0.026046 -0.015609 0.013151 -0.019615 1Rh 5dxy 0.190482 -0.020696 0.037651 0.062211 -0.049351 -0.085151 1Rh 1f0 -0.004710 -0.000949 -0.000103 0.010925 -0.018401 0.010541 1Rh 1f+1 0.012878 -0.007459 0.021762 -0.010746 0.012466 -0.022810 1Rh 1f-1 -0.006105 -0.017073 0.028913 -0.000236 0.000764 0.018888 1Rh 1f+2 -0.004497 0.014494 -0.017163 -0.002672 0.000811 0.015542 1Rh 1f-2 0.041548 -0.003278 0.006090 -0.011463 -0.015177 -0.028745 1Rh 1f+3 -0.013958 0.004694 0.008151 -0.016513 0.027028 -0.004866 1Rh 1f-3 -0.005913 -0.001967 0.011916 -0.004426 -0.005395 0.021773 2C 1s 0.000909 0.000797 0.001261 -0.005838 0.001173 -0.003629 2C 2s 0.001084 0.003536 0.002794 -0.019307 0.004506 -0.007625 2C 3s 0.034171 -0.261009 0.101537 0.188585 -0.161659 -0.194229 2C 4s -0.875285 0.691883 -1.067894 0.008888 1.164766 1.193199 2C 5s 0.473433 -0.503005 0.590947 1.788373 -0.319332 -1.020925 2C 1pz -0.004503 -0.096740 0.018712 -0.029173 -0.020909 -0.014828 2C 1px -0.061898 -0.068053 -0.008974 0.123045 0.044020 -0.042416 2C 1py -0.032070 -0.038505 -0.008096 0.146054 -0.045012 -0.029841 2C 2pz -0.787318 0.185973 -0.861719 0.171359 0.883444 0.360256 2C 2px 0.439320 0.407909 0.156232 -0.190758 -0.366986 0.058282 2C 2py -0.418672 0.153342 -0.481338 -0.451745 0.613492 0.362030 2C 3pz 0.012227 0.029716 0.046012 0.514365 -0.014056 -0.057438 2C 3px 0.169088 0.062870 0.125961 0.051714 -0.233133 -0.212280 2C 3py 0.074992 -0.121976 0.030795 0.171336 0.101807 -0.182287 2C 1dz2 -0.030084 -0.010087 -0.036788 0.226050 -0.053081 -0.032037 2C 1dxz -0.064771 0.015016 -0.054302 -0.009155 -0.015371 0.003556 2C 1dyz -0.094659 -0.137695 -0.010551 -0.028288 0.051010 0.000813 2C 1dx2y2 -0.092260 0.009535 -0.046139 0.323666 0.020862 -0.025327 2C 1dxy -0.031072 -0.087734 -0.017024 -0.171363 0.088739 -0.017705 2C 2dz2 -0.258363 0.019326 -0.253608 0.110662 0.305212 0.051895 2C 2dxz -0.004184 -0.103837 -0.060936 -0.117981 0.098231 0.074790 2C 2dyz -0.029981 0.304155 -0.215855 -0.253419 0.224485 0.111893 2C 2dx2y2 0.406454 0.152287 0.274852 -0.435666 -0.326236 -0.074876 2C 2dxy 0.137033 0.296474 0.011815 0.277112 -0.269369 0.058578 2C 1f0 -0.022242 -0.074114 0.008961 -0.171250 0.104711 -0.042713 2C 1f+1 -0.051625 0.023207 -0.068327 -0.057110 0.048007 0.082314 2C 1f-1 -0.000764 0.051620 -0.021408 0.148610 0.033974 -0.021532 2C 1f+2 0.042909 -0.076088 0.089199 -0.074958 0.019021 0.029783 2C 1f-2 0.015131 -0.037608 -0.005686 -0.110740 0.016363 0.156070 2C 1f+3 0.028472 0.014791 -0.039527 -0.080492 0.017692 -0.008311 2C 1f-3 -0.069037 -0.073186 -0.025751 -0.007099 0.083869 0.045560 3C 1s -0.002361 0.006340 0.001649 -0.001949 -0.001714 0.004970 3C 2s -0.005789 0.021131 0.006482 -0.005365 -0.005952 0.011600 3C 3s 0.063837 -0.259136 -0.048267 -0.054864 0.229941 0.092244 3C 4s 0.852366 0.921439 -0.109297 0.845049 -0.455863 -1.087354 3C 5s 0.173142 -1.755574 -0.942843 -0.244774 0.734648 -0.208983 3C 1pz 0.005091 -0.066054 -0.004107 -0.008425 -0.002232 0.019533 3C 1px 0.143724 -0.138358 -0.099357 0.015656 0.058538 0.013996 3C 1py -0.041967 0.001600 -0.024730 -0.005454 -0.104278 0.031270 3C 2pz 0.881969 0.924491 0.101809 0.498382 0.211908 -0.592833 3C 2px -0.442139 0.341857 0.191645 0.118130 -0.359920 0.004827 3C 2py -0.685200 -0.600130 0.172573 -0.523728 0.229115 0.202138 3C 3pz 0.139174 -0.038959 -0.182140 0.086073 0.154119 -0.103722 3C 3px -0.190879 -0.082564 -0.025900 -0.006321 0.004253 0.169170 3C 3py -0.098895 0.506567 0.242760 0.026282 -0.043216 0.143850 3C 1dz2 -0.123267 0.013973 0.047173 -0.032962 -0.032727 -0.009594 3C 1dxz -0.171364 0.281944 0.202339 -0.012056 0.033238 -0.011968 3C 1dyz -0.083680 -0.030724 -0.006848 -0.000316 -0.131909 0.044896 3C 1dx2y2 -0.114891 0.139763 0.074362 0.008970 0.043939 -0.011020 3C 1dxy -0.113547 -0.082153 -0.063727 -0.038297 -0.076772 0.030136 3C 2dz2 0.279558 0.262623 0.060279 0.083199 0.278790 -0.186943 3C 2dxz 0.459419 -0.152131 -0.242954 0.129817 0.019210 -0.187662 3C 2dyz -0.004336 -0.210384 0.016666 -0.148250 0.303742 -0.049285 3C 2dx2y2 -0.434162 -0.304171 0.081781 -0.246288 -0.216508 0.123235 3C 2dxy 0.220406 -0.323927 -0.106071 -0.110695 0.122420 0.024419 3C 1f0 0.098349 -0.017596 0.019561 -0.025541 0.001294 -0.059830 3C 1f+1 0.067572 0.064493 0.048272 0.024228 0.113526 -0.120289 3C 1f-1 -0.050029 0.208898 0.122126 -0.026088 0.102394 -0.123924 3C 1f+2 -0.029324 0.124255 0.078761 -0.031801 0.005735 -0.039098 3C 1f-2 -0.001164 -0.047277 -0.033664 -0.037977 0.088296 0.033973 3C 1f+3 0.084030 0.023633 -0.036527 0.032379 0.003213 -0.122092 3C 1f-3 -0.055575 -0.140184 -0.014469 -0.054460 -0.024372 -0.071319 4C 1s 0.002987 -0.002453 0.002112 0.002219 -0.001708 -0.001757 4C 2s 0.009712 -0.008726 0.006156 0.009254 -0.005237 -0.006574 4C 3s 0.041065 0.479931 -0.047949 -0.379880 -0.049937 0.224064 4C 4s 0.311851 -2.047265 0.498275 1.644120 -0.304047 -0.962695 4C 5s 0.487026 0.293349 0.614792 -0.434845 0.500350 0.274641 4C 1pz 0.061711 0.033370 0.036414 0.065845 -0.067617 -0.038586 4C 1px 0.055850 0.011171 -0.001128 0.021667 -0.047903 -0.166483 4C 1py 0.045798 0.007963 0.046319 -0.035622 -0.024748 -0.050729 4C 2pz -0.806040 0.004010 -0.928274 0.141044 1.062698 0.320299 4C 2px 0.072918 0.303893 0.173172 -0.348612 -0.083034 1.055845 4C 2py -0.382374 0.073682 -0.532841 0.048345 0.571202 0.413399 4C 3pz 0.543472 -0.538373 0.838878 1.711620 -0.031774 -0.919856 4C 3px -0.151335 -0.221369 0.076372 0.160246 0.332958 0.473574 4C 3py 0.250055 -0.170057 0.597259 1.052692 -0.106651 -0.177987 4C 1dz2 -0.002275 0.061305 -0.001602 -0.066419 0.027156 0.040977 4C 1dxz -0.094793 -0.031150 -0.028299 -0.046454 0.166272 0.077565 4C 1dyz -0.028117 -0.014461 -0.068069 0.001512 0.008808 0.009571 4C 1dx2y2 0.043354 -0.001600 0.036189 -0.268350 -0.060975 0.056258 4C 1dxy -0.060748 0.041722 -0.030087 0.070157 0.004172 0.055991 4C 2dz2 0.317401 0.087431 0.343693 0.151427 -0.231030 -0.444250 4C 2dxz 0.996040 0.602400 0.653126 -0.792536 -0.992847 0.399640 4C 2dyz 0.419884 0.048872 0.468451 -0.236370 -0.299955 -0.206406 4C 2dx2y2 -0.727469 -0.659288 -0.504038 0.625285 0.649686 0.035112 4C 2dxy 0.228254 0.009018 0.173649 -0.001339 -0.298875 0.255556 4C 1f0 0.080994 0.078599 0.083143 0.022721 -0.065057 -0.038743 4C 1f+1 0.119903 -0.043685 0.066455 -0.311045 0.011635 0.060164 4C 1f-1 0.021408 0.021369 -0.034434 -0.106024 0.041630 -0.040886 4C 1f+2 -0.134077 -0.164854 -0.109866 -0.196076 0.173468 -0.019298 4C 1f-2 -0.036778 0.087378 -0.004805 0.143183 -0.062047 0.234908 4C 1f+3 -0.039913 0.005905 -0.105529 0.188775 0.013404 -0.099214 4C 1f-3 0.111130 0.097502 0.025480 0.138214 -0.133891 -0.093335 5C 1s -0.002802 -0.002386 -0.001619 -0.000935 0.002814 0.002145 5C 2s -0.008322 -0.009538 -0.006320 -0.001728 0.009801 0.006273 5C 3s -0.281981 0.186181 0.191911 -0.061195 -0.507310 0.122971 5C 4s 0.698879 -1.275072 -0.684031 0.121996 2.234268 -0.698939 5C 5s -0.651850 0.572209 -0.335812 -0.393908 -0.248401 -0.440830 5C 1pz -0.026088 -0.000381 0.018388 -0.022974 0.007610 -0.038199 5C 1px -0.075477 -0.006319 -0.019854 -0.002956 -0.048794 0.169961 5C 1py 0.084680 0.126729 0.043416 0.030358 0.047292 -0.109133 5C 2pz 0.572347 0.415245 -0.260972 0.426693 0.086480 0.012577 5C 2px -0.175376 0.334010 0.314040 0.223020 -0.039329 -0.942354 5C 2py -1.022303 -0.893976 0.133204 -0.731919 -0.124436 0.821837 5C 3pz -0.055797 -1.063050 -0.579843 -0.293645 0.249102 -0.278330 5C 3px 0.192585 -0.430026 -0.248000 -0.149211 0.403928 -0.828804 5C 3py -0.089420 1.436893 1.156937 0.327962 -0.771393 0.405702 5C 1dz2 -0.049217 -0.079983 -0.091170 0.006304 0.003642 0.138660 5C 1dxz 0.177758 -0.169025 -0.180700 0.015413 -0.004683 0.016971 5C 1dyz 0.035796 0.038014 -0.001516 -0.031592 0.048678 -0.080608 5C 1dx2y2 -0.025664 -0.098483 0.017033 -0.045978 0.016597 0.069689 5C 1dxy -0.077703 -0.117774 -0.028683 -0.045738 -0.071083 0.092004 5C 2dz2 -0.117955 0.197277 0.171038 -0.050092 -0.167794 0.143952 5C 2dxz -1.237354 -0.148743 0.367391 -0.405102 -0.679580 0.214309 5C 2dyz -0.134062 0.189803 0.163509 0.193475 -0.228664 -0.115630 5C 2dx2y2 0.944773 0.526495 -0.011516 0.597233 0.464451 -0.839049 5C 2dxy 1.409150 0.014562 -0.521082 0.420421 0.495703 0.003733 5C 1f0 -0.168156 0.074896 0.127968 -0.035224 0.042626 -0.062573 5C 1f+1 -0.040570 -0.322917 -0.143775 -0.078102 -0.174493 0.098887 5C 1f-1 0.085252 0.021194 0.035762 0.016631 0.024035 -0.239000 5C 1f+2 0.089408 0.049329 -0.047997 -0.028732 0.054840 0.067123 5C 1f-2 0.102066 0.263274 0.077425 0.049833 0.137762 0.052436 5C 1f+3 -0.185742 0.215946 0.140904 -0.021380 0.032737 -0.012195 5C 1f-3 0.211002 0.020846 0.013425 0.048028 0.036317 -0.234647 6C 1s -0.002699 0.000589 -0.002799 0.001063 -0.002654 -0.002407 6C 2s -0.007903 0.002483 -0.011107 0.004735 -0.008317 -0.007017 6C 3s -0.313546 -0.012378 0.281857 -0.346504 0.342382 -0.118126 6C 4s 0.843356 0.482622 -1.430646 1.386352 -1.614628 0.691143 6C 5s -0.675696 -0.665250 0.159674 -0.456056 -0.044631 0.445392 6C 1pz 0.026545 -0.012350 -0.013422 0.013730 0.021550 -0.039743 6C 1px 0.071107 0.011082 0.014287 0.033180 -0.037397 0.179547 6C 1py -0.087687 0.058468 -0.114311 -0.053803 0.016686 -0.113826 6C 2pz -0.556237 0.464889 -0.085898 -0.396690 -0.219930 0.010341 6C 2px 0.164275 0.011882 -0.441258 -0.135862 -0.163501 -1.012964 6C 2py 1.004877 -0.706489 0.480266 0.648733 0.383286 0.863423 6C 3pz -0.006987 -0.353633 1.161686 0.132535 0.381430 -0.277440 6C 3px -0.186793 -0.137003 0.494753 -0.100723 0.408709 -0.847002 6C 3py 0.191182 0.228666 -1.838305 0.130094 -0.796833 0.408632 6C 1dz2 -0.040890 -0.004626 -0.116757 0.007610 0.002619 -0.142180 6C 1dxz 0.168226 -0.001646 -0.248215 0.008351 0.015597 -0.018663 6C 1dyz 0.033286 -0.028428 0.022289 0.005166 -0.056777 0.080627 6C 1dx2y2 -0.031676 0.081021 -0.052809 -0.023059 -0.043672 -0.072115 6C 1dxy -0.069348 0.062545 -0.098399 -0.083711 0.024829 -0.096425 6C 2dz2 -0.154331 -0.031416 0.263609 -0.127829 0.095902 -0.155794 6C 2dxz -1.232696 0.332864 0.195991 -0.743828 0.247913 -0.221788 6C 2dyz -0.123543 -0.018752 0.251929 0.011947 0.295146 0.139799 6C 2dx2y2 1.009602 -0.349224 0.311908 0.724852 0.034840 0.886467 6C 2dxy 1.361340 -0.349115 -0.392911 0.649793 -0.096532 -0.017083 6C 1f0 0.161117 -0.033601 -0.144374 -0.001059 0.057629 -0.070732 6C 1f+1 0.052118 -0.126564 0.322376 0.171890 -0.082251 0.111424 6C 1f-1 -0.084951 -0.010859 -0.035621 -0.023046 0.009509 -0.247844 6C 1f+2 -0.088658 0.067747 0.001319 -0.014410 0.056374 0.074824 6C 1f-2 -0.109998 0.132904 -0.234532 -0.128545 0.069998 0.059031 6C 1f+3 0.182619 0.060226 -0.253978 -0.009902 0.038739 -0.012541 6C 1f-3 -0.216473 0.001638 -0.015444 -0.056045 -0.000606 -0.245128 7C 1s 0.003062 0.003296 -0.000186 0.000447 0.002623 0.002079 7C 2s 0.009751 0.010784 -0.001697 0.003211 0.009620 0.007602 7C 3s 0.115191 -0.383215 0.316613 -0.329566 -0.212255 -0.250984 7C 4s 0.087618 1.847858 -1.133035 1.069627 1.306618 1.055127 7C 5s 0.467996 0.224828 0.640100 0.038766 -0.657624 -0.285845 7C 1pz -0.075388 -0.002469 -0.052252 -0.000020 -0.089783 -0.039989 7C 1px -0.073953 0.011831 -0.010689 0.024251 -0.047475 -0.184109 7C 1py -0.061151 -0.025967 -0.041543 0.048965 0.007843 -0.056135 7C 2pz 0.998533 0.647777 0.705217 -0.867615 0.665975 0.322949 7C 2px -0.101816 0.079608 -0.338620 0.278360 0.136891 1.192207 7C 2py 0.474823 0.422037 0.353821 -0.453165 0.371967 0.459809 7C 3pz -0.405283 -1.007653 -0.164666 -1.279959 -1.113242 -0.959375 7C 3px 0.192604 -0.216878 0.105942 -0.352883 0.147240 0.492559 7C 3py -0.138551 -0.563344 -0.267868 -0.767476 -0.758757 -0.195771 7C 1dz2 -0.004712 -0.043800 0.040546 -0.025656 -0.061473 -0.044145 7C 1dxz -0.122953 0.004074 -0.047841 0.082243 -0.154843 -0.079271 7C 1dyz -0.022990 -0.038175 -0.057475 0.003133 -0.005464 -0.014236 7C 1dx2y2 0.070658 0.023212 0.029507 -0.244488 -0.126933 -0.061968 7C 1dxy -0.071467 -0.050648 0.007364 0.058651 0.042960 -0.057187 7C 2dz2 0.370163 0.171346 0.316786 -0.078007 0.236369 0.495951 7C 2dxz 1.277839 0.021686 0.938917 -1.291257 0.226318 -0.482575 7C 2dyz 0.485944 0.290144 0.382151 -0.391926 0.060260 0.226571 7C 2dx2y2 -0.932021 0.127897 -0.864004 0.945489 -0.055740 -0.029806 7C 2dxy 0.263842 0.121553 0.134430 -0.185907 0.238041 -0.308817 7C 1f0 -0.092019 -0.003423 -0.117243 0.029852 -0.058419 -0.038671 7C 1f+1 -0.156853 -0.076458 -0.022628 0.236963 0.216335 0.066348 7C 1f-1 -0.036007 0.040395 0.009087 0.058636 0.104067 -0.044591 7C 1f+2 0.152299 -0.036211 0.197571 0.030583 0.253920 -0.033954 7C 1f-2 0.058886 0.058772 -0.051990 -0.081337 -0.143134 0.258513 7C 1f+3 0.049313 0.080436 0.070170 -0.148682 -0.112567 -0.118087 7C 1f-3 -0.132572 0.052906 -0.090277 -0.010747 -0.187186 -0.114870 8C 1s -0.002545 -0.003533 0.005653 -0.002379 0.000183 -0.005315 8C 2s -0.006395 -0.011025 0.019446 -0.007234 0.001425 -0.012444 8C 3s 0.081941 0.155755 -0.214670 0.092164 -0.210875 -0.101208 8C 4s 0.801951 -0.715681 0.526614 0.391361 0.889019 1.171984 8C 5s 0.281044 0.609908 -1.905634 0.160731 -0.722183 0.191219 8C 1pz -0.006887 -0.045333 0.050035 0.009449 0.004014 0.020452 8C 1px -0.139833 -0.032584 0.169499 -0.048102 0.034406 0.017005 8C 1py 0.050672 0.020440 0.015591 0.066635 -0.076430 0.032871 8C 2pz -0.869601 0.570694 -0.678142 -0.525274 -0.166340 -0.619051 8C 2px 0.435569 0.114372 -0.382959 0.138304 -0.352118 -0.001540 8C 2py 0.647906 -0.536567 0.274492 0.288422 0.517727 0.227079 8C 3pz -0.147418 0.092756 0.159226 -0.152358 0.060626 -0.108318 8C 3px 0.166323 -0.041994 0.072043 0.010894 0.009478 0.169991 8C 3py 0.111798 0.195322 -0.530494 -0.017495 -0.052503 0.146776 8C 1dz2 -0.129406 0.019092 0.049761 -0.044125 0.003746 0.009169 8C 1dxz -0.157763 -0.064638 0.344270 0.014995 -0.034031 0.018150 8C 1dyz -0.088902 0.015157 -0.024613 -0.084210 0.100393 -0.045656 8C 1dx2y2 -0.109352 -0.050409 0.152981 0.038371 -0.028132 0.015078 8C 1dxy -0.115640 0.011200 -0.096706 -0.077622 0.032845 -0.031061 8C 2dz2 0.297160 -0.138544 0.210213 0.235692 -0.158337 0.193925 8C 2dxz 0.449954 -0.048025 -0.299035 0.106188 0.072128 0.188580 8C 2dyz 0.027683 0.164631 -0.136334 0.065564 -0.329404 0.048534 8C 2dx2y2 -0.428194 0.263808 -0.138623 -0.335678 0.001499 -0.132475 8C 2dxy 0.201465 0.159446 -0.306165 -0.011728 -0.164370 -0.035455 8C 1f0 -0.101634 -0.027403 0.001212 0.022095 0.019564 -0.062244 8C 1f+1 -0.062366 0.011938 -0.074788 -0.092946 0.072391 -0.124692 8C 1f-1 0.046150 0.065254 -0.230894 -0.048293 0.096453 -0.131395 8C 1f+2 0.022573 0.034976 -0.141994 0.022604 0.023062 -0.038677 8C 1f-2 0.010141 -0.008952 0.056271 -0.028552 0.090705 0.039694 8C 1f+3 -0.076588 0.041496 0.012551 -0.027238 -0.019604 -0.124193 8C 1f-3 0.056620 -0.088159 0.105818 0.059235 0.019047 -0.073245 9C 1s 0.001779 0.000056 0.001742 -0.003921 -0.004683 0.004156 9C 2s 0.003412 -0.001328 0.005246 -0.012254 -0.015847 0.008865 9C 3s 0.026781 0.259753 -0.109810 0.028668 0.237829 0.213348 9C 4s -1.058409 -1.226832 -0.328811 0.860386 -0.820707 -1.312950 9C 5s 0.388446 0.802095 0.022229 1.134604 1.378674 1.093030 9C 1pz 0.005935 -0.082272 0.054070 0.037288 0.004496 -0.013742 9C 1px 0.086644 -0.045412 0.059337 -0.122704 -0.042363 -0.049622 9C 1py 0.045121 -0.024087 0.034556 -0.083284 -0.130264 -0.034464 9C 2pz 0.925775 0.734371 0.516335 -0.756475 0.520315 0.374771 9C 2px -0.582050 0.183845 -0.423310 0.411010 -0.151376 0.082668 9C 2py 0.469205 0.454169 0.243965 -0.091326 0.731312 0.390239 9C 3pz 0.035031 -0.019242 -0.037598 -0.391192 -0.342081 -0.063173 9C 3px -0.200007 -0.042418 -0.136124 0.120015 -0.209003 -0.211137 9C 3py -0.070231 -0.117131 0.071211 -0.185426 -0.031901 -0.184347 9C 1dz2 -0.038484 -0.015470 -0.032508 0.137945 0.190919 0.035666 9C 1dxz -0.066162 -0.053935 -0.023463 -0.013521 0.016824 -0.002974 9C 1dyz -0.118719 0.089798 -0.108061 0.016606 -0.055451 0.004507 9C 1dx2y2 -0.127610 -0.036762 -0.029314 0.264597 0.200502 0.033758 9C 1dxy -0.036644 0.047866 -0.075878 -0.067443 -0.174839 0.016488 9C 2dz2 -0.312475 -0.191505 -0.177572 0.293145 -0.152241 -0.043709 9C 2dxz -0.010512 0.035689 -0.124161 -0.018970 -0.150792 -0.089981 9C 2dyz -0.000049 -0.371079 0.061004 -0.043998 -0.331596 -0.126321 9C 2dx2y2 0.525381 0.080635 0.320528 -0.576151 -0.060036 0.063030 9C 2dxy 0.184434 -0.200586 0.229102 0.022945 0.386263 -0.063752 9C 1f0 0.020150 -0.058564 0.046632 0.064973 0.192197 -0.043360 9C 1f+1 0.054936 0.066680 0.031704 0.005897 0.066167 0.087547 9C 1f-1 0.007120 0.048365 -0.018696 -0.131739 -0.064849 -0.025444 9C 1f+2 -0.049849 -0.116359 -0.010875 0.050001 0.066783 0.026814 9C 1f-2 -0.018765 -0.026722 0.032629 0.070266 0.083718 0.171079 9C 1f+3 -0.043140 0.042523 0.013987 0.052578 0.063462 -0.010315 9C 1f-3 0.086833 -0.032859 0.074806 -0.050881 0.065923 0.043005 10H 1s -0.031425 -0.052130 -0.022779 0.186314 0.024899 -0.032598 10H 2s -0.440823 -0.343985 -0.263685 -0.070131 0.378762 0.008508 10H 3s -0.055102 0.088084 -0.059523 0.030237 0.102462 0.126610 10H 1pz -0.132719 -0.042957 -0.106442 -0.002595 0.086998 0.017976 10H 1px 0.069793 0.088131 0.047225 0.149700 -0.050485 0.034572 10H 1py -0.066704 -0.135096 -0.028596 -0.140061 0.134395 0.042740 11H 1s 0.018792 0.137691 -0.028118 0.087201 -0.062513 0.002636 11H 2s 0.117995 0.021892 0.110235 0.115864 -0.156522 -0.228981 11H 3s -0.053220 0.102417 -0.044102 0.003783 -0.043074 0.113434 11H 1pz 0.035638 -0.038150 0.036849 0.186020 -0.058911 -0.110797 11H 1px 0.049063 -0.003632 0.016238 -0.164772 -0.011147 -0.087802 11H 1py 0.056085 0.081249 -0.005979 0.067535 -0.083980 -0.015603 12H 1s 0.039172 -0.037039 0.007715 -0.290587 0.073423 -0.006560 12H 2s 0.078937 -0.029109 0.088231 -0.167034 -0.042387 -0.181245 12H 3s -0.027214 -0.029146 -0.039689 -0.209779 0.091589 0.074695 12H 1pz 0.069504 0.011291 0.056669 -0.080651 -0.005014 -0.014920 12H 1px 0.015098 0.024284 0.025546 -0.038981 -0.027075 0.004078 12H 1py -0.019941 -0.034396 0.006206 0.099525 -0.015150 -0.117123 13H 1s 0.112090 -0.134357 -0.131413 0.014289 0.036187 0.016062 13H 2s 0.555826 0.446265 0.071346 0.137714 0.330894 -0.211513 13H 3s 0.073880 -0.004277 -0.076145 0.044314 -0.093716 -0.026969 13H 1pz 0.114715 0.277020 0.110508 0.045680 0.173545 -0.093361 13H 1px -0.033661 -0.088146 -0.055144 -0.006899 0.019304 -0.053472 13H 1py -0.156088 -0.080951 -0.001509 -0.025204 -0.019789 0.062774 14H 1s -0.124042 0.246461 0.131089 0.016377 0.058087 0.016435 14H 2s -0.008146 0.149431 0.041117 0.035489 0.045403 0.162571 14H 3s -0.070892 0.245883 0.097705 0.053227 -0.002437 -0.018304 14H 1pz 0.088778 -0.049589 -0.078176 0.029736 0.024506 0.083447 14H 1px 0.061993 -0.009285 -0.013438 0.003237 0.010709 0.049173 14H 1py 0.105733 -0.060195 -0.037256 0.002133 0.002282 -0.006932 15H 1s -0.033657 -0.068791 -0.021947 -0.018248 -0.140057 0.042755 15H 2s -0.226090 -0.204721 -0.093761 -0.122784 -0.119500 0.394442 15H 3s 0.045189 -0.019198 0.053894 0.011561 -0.075887 -0.068171 15H 1pz -0.009588 -0.189868 -0.076171 0.010066 -0.058776 0.008414 15H 1px -0.141815 0.073419 0.066296 -0.015187 -0.063470 0.118584 15H 1py 0.055767 0.188248 0.102277 0.034517 0.003802 -0.174014 16H 1s -0.035723 0.002782 -0.021411 -0.026096 0.049828 0.012815 16H 2s 0.160727 -0.011504 0.151306 0.113430 -0.378039 -0.057185 16H 3s -0.006141 0.063923 -0.035630 -0.047908 0.119070 0.001577 16H 1pz 0.048352 -0.002793 0.048448 0.030528 -0.093795 -0.005133 16H 1px -0.010414 -0.013739 -0.010187 -0.006087 -0.006226 0.015174 16H 1py 0.011122 0.005007 0.011460 0.011017 -0.004738 -0.005051 17H 1s 0.025386 -0.027106 0.018511 -0.006766 0.031102 0.018681 17H 2s -0.034367 0.022676 -0.018347 0.034580 -0.353415 0.028325 17H 3s 0.014246 -0.082744 0.021682 -0.017110 0.088982 0.008393 17H 1pz -0.001839 0.004258 -0.008130 -0.003325 0.073866 -0.014355 17H 1px 0.006278 0.018712 0.005614 0.005890 0.061090 -0.012132 17H 1py -0.007656 -0.015662 -0.011035 -0.002290 -0.024526 0.011270 18H 1s 0.025555 0.031047 -0.004149 0.013045 -0.028203 -0.017886 18H 2s 0.013247 -0.019331 0.005454 -0.207020 0.296310 -0.025747 18H 3s 0.012157 0.076379 -0.044263 0.040247 -0.079381 -0.007497 18H 1pz 0.014501 0.010267 0.004652 -0.047816 0.060886 -0.014021 18H 1px 0.004241 0.011835 -0.016649 -0.046516 0.044628 -0.010933 18H 1py 0.003381 -0.003900 0.017965 0.017704 -0.016256 0.010258 19H 1s -0.039274 -0.019521 -0.012359 0.013856 -0.053578 -0.013162 19H 2s 0.229221 0.129061 0.100854 -0.174457 0.359277 0.062171 19H 3s -0.021705 -0.070428 0.017139 0.046021 -0.120280 0.000099 19H 1pz -0.072301 -0.040330 -0.033699 0.042507 -0.090221 -0.007167 19H 1px 0.010704 -0.001331 0.015843 0.007689 -0.001007 0.016812 19H 1py -0.017841 -0.006339 -0.011942 -0.002446 -0.013355 -0.006106 20H 1s -0.041427 0.032274 -0.064084 -0.101603 0.094799 -0.046065 20H 2s -0.235650 0.073633 -0.194693 -0.163403 0.014095 -0.413464 20H 3s 0.039532 0.051388 0.021496 -0.036544 0.063394 0.074360 20H 1pz 0.012855 -0.083139 0.184314 0.032849 -0.050549 0.008163 20H 1px 0.133872 0.009094 -0.104329 0.051359 -0.038971 0.120939 20H 1py -0.057824 0.062034 -0.197952 -0.027525 -0.018721 -0.182139 21H 1s -0.116649 -0.086713 0.268293 0.052635 -0.032886 -0.012803 21H 2s -0.005916 -0.076618 0.134557 0.051967 -0.006325 -0.177334 21H 3s -0.071055 -0.107000 0.241637 0.049289 0.034496 0.028191 21H 1pz -0.093225 0.015810 0.091004 -0.035010 -0.002891 0.090648 21H 1px -0.053734 0.001489 0.017802 -0.008634 0.004183 0.056227 21H 1py -0.103230 -0.018530 0.069988 -0.003343 -0.000021 -0.006213 22H 1s 0.109264 0.006977 -0.188031 0.033032 -0.017112 -0.019858 22H 2s 0.567232 -0.258556 0.337200 0.318184 -0.158967 0.217246 22H 3s 0.058013 -0.049405 -0.055092 -0.018647 0.101829 0.030680 22H 1pz -0.120632 0.118195 -0.264608 -0.147671 0.101724 -0.098625 22H 1px 0.039859 -0.024553 0.099691 -0.006071 0.019464 -0.055289 22H 1py 0.156848 -0.054685 0.050987 0.031960 0.002596 0.063487 23H 1s 0.061973 0.026856 -0.016665 -0.178920 -0.246902 0.002366 23H 2s 0.120357 0.076893 0.056236 -0.171918 -0.084256 0.199924 23H 3s -0.020229 -0.006174 -0.049166 -0.100072 -0.202631 -0.091160 23H 1pz -0.085525 -0.032458 -0.049701 0.067956 0.051976 -0.011542 23H 1px -0.027210 0.001529 -0.039089 0.050637 0.003778 0.002889 23H 1py 0.020751 -0.028721 0.016030 -0.060064 -0.073067 -0.132384 24H 1s 0.024919 -0.119164 0.078221 0.028911 0.110206 -0.000167 24H 2s 0.170084 0.059007 0.107148 -0.037253 0.182820 0.253785 24H 3s -0.066018 -0.105226 0.039575 -0.014297 0.041139 -0.125668 24H 1pz -0.038049 -0.055745 0.000562 -0.093815 -0.157630 -0.123505 24H 1px -0.076958 -0.010302 -0.014817 0.139333 0.101647 -0.093212 24H 1py -0.069141 0.062446 -0.055849 0.007486 -0.106277 -0.012779 25H 1s -0.052507 0.025562 -0.057934 0.157463 0.098423 0.041508 25H 2s -0.537133 0.054892 -0.442497 0.222472 -0.311756 0.005769 25H 3s -0.068402 -0.101473 0.018046 0.091716 -0.059774 -0.133189 25H 1pz 0.159649 0.046923 0.108932 -0.066185 0.057678 0.013395 25H 1px -0.069619 0.026147 -0.093885 -0.079969 -0.132005 0.037402 25H 1py 0.080893 -0.075122 0.117808 0.016366 0.190343 0.045171 26O 1s 0.009483 -0.016084 0.005266 0.008999 -0.017058 0.025175 26O 2s 0.037171 -0.053313 0.020580 0.033696 -0.061472 0.083446 26O 3s -0.383713 0.351144 -0.201104 -0.278715 0.525599 -0.545301 26O 4s 1.211864 -0.387127 0.628889 0.580655 -1.243207 0.567889 26O 5s -1.370710 0.987818 -0.970182 -1.377853 1.138965 -1.291799 26O 1pz 0.114717 0.234037 0.073851 -0.316740 -0.005656 0.112371 26O 1px -0.197533 -0.079178 -0.104266 -0.029751 0.149221 0.075595 26O 1py 0.010068 0.151377 0.001382 -0.120392 0.051390 0.040674 26O 2pz -0.325631 -0.551865 -0.186313 0.778018 0.071896 -0.252491 26O 2px 0.166449 -0.003202 0.135372 0.076851 -0.222744 0.161980 26O 2py -0.172906 -0.429694 -0.040872 0.274115 -0.020992 0.055120 26O 3pz -0.457967 0.283031 -0.255145 -0.563143 0.623381 0.109634 26O 3px 0.119690 -0.098397 0.040807 0.175136 0.382652 0.403318 26O 3py -0.235005 0.193212 -0.214436 -0.220877 0.541509 0.125253 26O 1dz2 0.004116 0.004361 0.001356 -0.005512 0.001707 -0.005554 26O 1dxz 0.006323 0.008249 0.006290 -0.002305 -0.000066 -0.000208 26O 1dyz -0.003970 0.001771 -0.003163 -0.006459 0.004891 -0.001404 26O 1dx2y2 -0.016012 -0.007181 -0.005561 0.007580 0.004514 0.004915 26O 1dxy -0.009300 -0.000199 0.001877 -0.017033 0.005822 0.009979 26O 2dz2 -0.010111 0.025251 -0.010059 -0.049657 -0.006701 0.073034 26O 2dxz 0.120378 0.121203 0.071629 -0.229062 -0.027317 0.152572 26O 2dyz 0.001263 0.041715 -0.017989 -0.180941 0.017612 0.044613 26O 2dx2y2 -0.096871 -0.113590 -0.027037 -0.007551 0.071719 -0.072922 26O 2dxy 0.021274 0.110320 0.003034 0.080095 -0.038128 -0.056422 26O 1f0 0.006091 -0.000630 0.002761 0.019616 -0.018942 -0.019716 26O 1f+1 0.010386 0.016694 -0.002236 0.019158 -0.016387 -0.008157 26O 1f-1 0.000357 -0.004217 -0.002755 -0.003678 -0.001645 -0.020491 26O 1f+2 -0.004406 0.017965 -0.000003 0.005306 0.007421 0.029187 26O 1f-2 -0.005309 -0.007826 -0.006839 -0.034586 0.018504 0.012558 26O 1f+3 0.000797 0.016806 -0.003700 0.031927 0.001239 -0.003159 26O 1f-3 0.019544 0.004062 0.012250 -0.044716 -0.002618 -0.012338 27O 1s -0.002203 -0.026346 0.002440 -0.014621 0.020806 -0.034523 27O 2s -0.012323 -0.096122 0.005212 -0.053166 0.068840 -0.114669 27O 3s 0.216537 0.822410 0.010220 0.468769 -0.453114 0.740663 27O 4s -1.004819 -1.995031 -0.223399 -1.207751 0.560540 -0.743894 27O 5s 0.776490 2.280785 0.540311 0.914696 -1.564011 2.420173 27O 1pz -0.188431 0.070803 0.019867 -0.054186 -0.173280 0.085748 27O 1px 0.211445 0.159748 0.037418 0.089723 0.042506 -0.057711 27O 1py 0.257020 -0.247520 -0.158669 0.015016 0.204310 0.025306 27O 2pz 0.425286 -0.155513 -0.046879 0.124158 0.415045 -0.197666 27O 2px -0.080443 -0.111329 0.052607 0.020360 0.157362 -0.427261 27O 2py -0.725873 0.515343 0.373392 -0.112844 -0.544432 0.052611 27O 3pz 0.217969 0.568699 0.100121 0.194455 -0.303855 0.210868 27O 3px 0.058501 0.124661 -0.180235 0.160259 0.368205 -0.635079 27O 3py -0.228488 -0.891260 -0.174545 -0.295380 0.254147 -0.037409 27O 1dz2 -0.008679 -0.012231 -0.009643 -0.004792 -0.007177 0.010830 27O 1dxz -0.016503 0.008393 0.008465 -0.001316 -0.005114 -0.001775 27O 1dyz -0.003884 -0.013759 -0.005825 -0.004852 0.000391 -0.001151 27O 1dx2y2 0.016434 0.001723 0.005644 0.003087 0.009415 -0.015374 27O 1dxy 0.003054 -0.001187 -0.001872 0.002706 -0.000703 -0.003043 27O 2dz2 -0.033492 0.017720 0.025871 0.009841 0.044997 -0.058064 27O 2dxz -0.113876 -0.090545 -0.064903 -0.073063 -0.176977 0.052537 27O 2dyz -0.035234 -0.098337 -0.029131 -0.028777 0.035318 -0.047271 27O 2dx2y2 0.089593 -0.098254 -0.099346 0.002698 0.021391 0.166603 27O 2dxy 0.232300 -0.166262 -0.137970 0.082744 0.116060 0.079914 27O 1f0 -0.012988 0.014495 0.019180 -0.000056 0.008542 -0.013258 27O 1f+1 -0.031118 0.027477 0.018308 -0.005436 0.001444 0.015121 27O 1f-1 0.004953 0.002749 0.002341 0.002647 -0.003005 -0.021162 27O 1f+2 0.005297 -0.035094 -0.025801 -0.006715 -0.018335 -0.001353 27O 1f-2 0.000092 -0.017708 -0.003673 -0.001863 -0.010103 -0.014935 27O 1f+3 -0.018757 0.000506 0.000708 -0.006359 -0.022320 0.011610 27O 1f-3 0.007657 0.044386 0.016345 0.008624 0.011601 -0.042911 28O 1s 0.013366 -0.013275 0.022039 0.011551 -0.026464 -0.033212 28O 2s 0.051060 -0.041945 0.080998 0.038931 -0.094863 -0.113294 28O 3s -0.532269 0.207989 -0.740461 -0.246025 0.844112 0.804443 28O 4s 1.894715 0.202406 2.054038 0.065357 -2.353853 -1.223869 28O 5s -1.049523 1.099162 -1.577326 -2.041805 1.178021 2.474786 28O 1pz 0.032739 0.172523 -0.088338 -0.121894 0.077374 0.041342 28O 1px 0.073188 0.119677 0.112406 0.072924 -0.034534 0.000437 28O 1py 0.041755 0.091615 -0.015430 -0.129555 0.081680 -0.010422 28O 2pz -0.429465 -0.702132 -0.113285 0.421743 0.184062 -0.271362 28O 2px 0.262185 0.061329 0.086411 -0.404577 -0.307210 0.245306 28O 2py -0.146765 -0.231983 -0.018007 0.413032 -0.159322 0.017894 28O 3pz -0.079934 0.170274 -0.455607 -0.084181 0.441740 0.079847 28O 3px -0.277104 0.275412 -0.120277 -0.536124 0.105141 0.544419 28O 3py -0.146981 0.235414 -0.367416 -0.165936 0.258450 0.168337 28O 1dz2 0.001487 -0.002166 -0.000796 -0.008303 0.003361 0.001146 28O 1dxz 0.002835 0.008004 0.005623 0.007715 0.003080 0.008839 28O 1dyz -0.007648 0.003462 -0.007530 0.009108 0.001710 0.006136 28O 1dx2y2 -0.005566 -0.003529 -0.007179 0.001748 -0.002132 -0.004588 28O 1dxy -0.005053 -0.008386 -0.000748 -0.005485 0.008480 0.000228 28O 2dz2 0.041761 0.172514 0.079472 0.110677 -0.049212 -0.023688 28O 2dxz -0.053525 -0.094042 -0.063211 -0.003273 0.067731 -0.054214 28O 2dyz -0.051134 0.020614 -0.019016 -0.099129 0.078251 -0.012263 28O 2dx2y2 -0.052283 -0.072940 -0.045674 -0.054792 0.018359 0.107282 28O 2dxy -0.102531 -0.032122 -0.064581 0.201120 -0.010058 0.084025 28O 1f0 0.006006 0.020368 0.008334 0.008588 -0.009541 0.006871 28O 1f+1 0.004351 -0.015023 0.006537 -0.018365 -0.010164 0.015257 28O 1f-1 -0.013409 -0.014448 -0.001656 0.008441 0.014003 0.014292 28O 1f+2 -0.018687 -0.019743 -0.017046 -0.004162 0.019038 -0.013413 28O 1f-2 0.001316 0.009926 0.004104 0.007227 -0.014937 0.021592 28O 1f+3 -0.017932 -0.020248 -0.011350 0.022001 0.007599 0.002332 28O 1f-3 -0.010584 -0.003182 0.001140 0.020469 -0.002026 0.008599 29O 1s 0.000065 0.001065 0.003163 0.002397 -0.016201 -0.001048 29O 2s -0.000116 0.004070 0.010711 0.008198 -0.055674 -0.003981 29O 3s 0.010297 -0.037483 -0.073840 -0.055370 0.396697 0.035242 29O 4s -0.034469 0.081520 0.138629 0.075460 -0.736404 -0.071336 29O 5s -0.046744 -0.067653 -0.282733 -0.101465 1.342163 0.069436 29O 1pz 0.016702 0.014784 -0.005525 -0.013854 0.035025 -0.001165 29O 1px 0.005532 0.002556 0.009389 0.026076 -0.080926 0.010353 29O 1py -0.001127 -0.004308 -0.008414 0.003501 0.029149 0.000761 29O 2pz 0.012781 -0.013008 0.053870 0.058781 -0.097749 -0.015112 29O 2px -0.010805 0.006085 -0.020870 -0.056699 0.238476 -0.028519 29O 2py 0.013690 -0.004165 0.032723 0.000697 -0.122540 0.005970 29O 3pz 0.090910 -0.047348 0.024135 -0.014539 0.070957 -0.031978 29O 3px 0.011615 0.004420 0.079209 0.045354 -0.372458 -0.021179 29O 3py 0.049087 0.034175 0.015785 0.077389 -0.277558 -0.015648 29O 1dz2 0.001821 -0.002885 0.002289 0.001235 -0.000564 0.000317 29O 1dxz -0.000841 0.003244 -0.002317 0.000451 0.001208 0.000260 29O 1dyz 0.001111 0.002336 0.001025 0.003373 -0.001649 -0.000111 29O 1dx2y2 -0.000344 0.001823 -0.000433 -0.001370 0.002744 0.000725 29O 1dxy -0.001985 -0.000800 0.001695 -0.001566 0.005343 0.000595 29O 2dz2 -0.006422 -0.012767 -0.004855 -0.005041 0.011635 0.003497 29O 2dxz -0.007225 0.029634 -0.007910 -0.001710 0.024879 -0.006706 29O 2dyz -0.015552 -0.000375 -0.020450 -0.002603 0.000123 0.010610 29O 2dx2y2 0.003801 0.007764 0.000365 0.001544 -0.000536 0.001405 29O 2dxy -0.004607 -0.020596 0.010015 -0.008669 -0.017075 0.018790 29O 1f0 0.001540 0.000536 0.001635 0.001777 -0.010302 -0.001117 29O 1f+1 -0.000946 -0.005491 -0.000046 -0.000139 0.004103 0.001271 29O 1f-1 0.005774 0.001438 0.002313 0.005441 -0.008202 -0.002098 29O 1f+2 -0.000739 0.003230 -0.004395 0.000583 0.004231 0.000178 29O 1f-2 -0.004174 0.001054 -0.003283 0.001568 -0.006048 -0.002187 29O 1f+3 0.002506 -0.002921 0.000926 0.001862 -0.001706 0.000414 29O 1f-3 0.004001 0.000947 0.000738 0.000318 0.000164 0.001516 30O 1s -0.020555 -0.021041 0.003544 -0.001424 0.015166 0.025299 30O 2s -0.078788 -0.075759 0.012792 -0.007370 0.049787 0.087947 30O 3s 0.824827 0.650616 -0.132569 0.121395 -0.289802 -0.685757 30O 4s -2.904007 -1.547967 0.513162 -0.613272 0.005674 1.374256 30O 5s 0.944997 2.067449 0.862309 0.174410 -1.515127 -1.009572 30O 1pz -0.031123 0.205820 0.033731 0.004254 -0.070645 0.062387 30O 1px -0.131584 -0.079735 -0.056201 -0.080365 -0.091622 0.030848 30O 1py 0.034423 -0.088865 0.024237 0.032459 0.207200 -0.014774 30O 2pz 0.541769 -0.429890 -0.217754 0.096645 0.339236 -0.201834 30O 2px -0.328085 0.017752 0.253592 0.017098 -0.098088 -0.070726 30O 2py -0.550337 0.021662 0.035331 -0.209805 -0.725182 0.101629 30O 3pz 0.170234 0.260263 -0.217667 0.264042 -0.274149 -0.008649 30O 3px 0.170709 0.379547 0.322416 -0.127477 -0.295784 -0.135879 30O 3py -0.331128 -0.512488 0.169863 -0.199959 0.351870 0.148813 30O 1dz2 -0.006067 -0.011081 -0.004089 -0.000486 -0.008527 -0.002075 30O 1dxz -0.007534 0.004730 -0.001781 0.001074 0.003796 0.000711 30O 1dyz -0.012150 -0.003640 0.002411 -0.001177 0.005199 0.002256 30O 1dx2y2 0.005890 -0.002538 0.001604 0.003799 0.008286 0.001038 30O 1dxy -0.007266 0.012054 0.007032 -0.000295 0.002913 0.009107 30O 2dz2 -0.175820 0.153652 0.072379 0.001564 0.022135 0.137266 30O 2dxz 0.091112 -0.138554 -0.095077 0.008947 -0.022896 -0.005588 30O 2dyz 0.009789 -0.017249 0.001805 0.014652 0.076093 -0.057057 30O 2dx2y2 0.112117 0.085264 0.053553 0.050240 0.143872 -0.127865 30O 2dxy -0.106766 -0.139223 -0.047417 -0.053101 -0.130843 0.016291 30O 1f0 -0.037815 0.007830 0.010388 -0.007842 -0.019222 0.020386 30O 1f+1 0.027412 -0.024646 -0.012231 -0.002600 0.001331 -0.017985 30O 1f-1 -0.002452 -0.009438 0.005207 -0.001942 -0.010692 -0.014410 30O 1f+2 0.003085 0.006614 0.004830 -0.000475 0.007464 0.010535 30O 1f-2 0.023346 0.023873 -0.004453 0.012852 0.014598 0.009949 30O 1f+3 0.013102 0.004391 0.012292 0.000860 0.030811 -0.024541 30O 1f-3 0.019742 0.009790 -0.002117 0.002167 0.006476 -0.003464 31O 1s -0.017130 0.017422 -0.011495 0.007375 -0.012814 -0.025798 31O 2s -0.067023 0.062621 -0.041256 0.021887 -0.043911 -0.089588 31O 3s 0.737455 -0.549845 0.334526 -0.059215 0.310133 0.695551 31O 4s -2.742116 1.423493 -0.633047 -0.531849 -0.429983 -1.380038 31O 5s 0.774357 -0.880815 2.045932 -0.707072 1.270685 1.033990 31O 1pz 0.043194 0.125109 -0.167415 0.032649 -0.060251 0.066330 31O 1px 0.148464 -0.012489 0.090730 0.117222 -0.016954 0.033184 31O 1py -0.056355 -0.085744 0.047132 -0.147458 0.139452 -0.020873 31O 2pz -0.566602 -0.167249 0.467580 -0.267097 0.200943 -0.205081 31O 2px 0.288048 -0.164671 -0.198774 0.056646 -0.082384 -0.085224 31O 2py 0.601936 0.012263 -0.060821 0.599581 -0.418019 0.110145 31O 3pz -0.183071 0.330399 -0.021015 -0.027155 -0.390327 -0.002869 31O 3px -0.117200 0.052642 -0.498210 0.251619 -0.137556 -0.140724 31O 3py 0.327863 -0.479147 0.226913 -0.054703 0.412441 0.147261 31O 1dz2 -0.006130 0.004907 -0.010527 -0.006075 0.006102 0.001971 31O 1dxz -0.008220 -0.004606 0.002091 0.003656 -0.002106 -0.000324 31O 1dyz -0.012383 0.004127 -0.000627 0.002275 -0.004727 -0.001979 31O 1dx2y2 0.005846 0.003200 -0.000808 0.008048 -0.003880 -0.001089 31O 1dxy -0.006307 -0.003887 0.013630 0.001729 -0.002386 -0.009649 31O 2dz2 -0.170566 -0.061637 0.162262 0.018864 -0.014205 -0.140585 31O 2dxz 0.085900 0.033558 -0.165033 -0.010546 0.022925 0.003610 31O 2dyz 0.016831 0.014584 -0.013655 0.054941 -0.048474 0.059032 31O 2dx2y2 0.122138 -0.018792 0.091345 0.127250 -0.076840 0.134000 31O 2dxy -0.112435 0.062773 -0.126024 -0.124756 0.064374 -0.019045 31O 1f0 0.037640 -0.000845 -0.014160 0.017739 -0.009566 0.020756 31O 1f+1 -0.026260 -0.009360 0.026579 0.001986 0.002762 -0.018102 31O 1f-1 0.002027 -0.010166 0.002860 0.008900 -0.006542 -0.014803 31O 1f+2 -0.004101 0.001272 -0.008053 -0.004528 0.005902 0.011120 31O 1f-2 -0.024107 0.019596 -0.012657 -0.019468 0.002288 0.010426 31O 1f+3 -0.013337 -0.005861 -0.011194 -0.019902 0.023183 -0.025628 31O 1f-3 -0.020139 0.008214 -0.004818 -0.005446 0.003179 -0.002738 32O 1s 0.002576 0.001806 0.003078 -0.009030 0.013789 0.001112 32O 2s 0.008311 0.005761 0.010723 -0.030999 0.047318 0.004164 32O 3s -0.045423 -0.032104 -0.080066 0.221885 -0.334277 -0.035745 32O 4s 0.059920 0.047682 0.158746 -0.430575 0.601092 0.071037 32O 5s -0.239586 -0.169255 -0.261726 0.822430 -1.079267 -0.076213 32O 1pz -0.009018 0.014440 -0.005710 -0.013367 0.035139 -0.000753 32O 1px -0.019670 -0.006100 -0.010249 0.034194 -0.079278 0.010598 32O 1py 0.006248 0.002182 0.010107 -0.022609 0.019809 0.002112 32O 2pz -0.038627 -0.048995 -0.030325 0.022200 -0.107922 -0.017526 32O 2px 0.051577 0.023858 0.015651 -0.117357 0.221845 -0.027992 32O 2py -0.040498 -0.028076 -0.024722 0.083992 -0.095029 0.001352 32O 3pz -0.081872 -0.052748 0.018254 -0.033245 0.065823 -0.031449 32O 3px -0.061444 -0.052642 -0.065440 0.214641 -0.308931 -0.020971 32O 3py -0.080871 0.004894 -0.035954 0.124122 -0.262700 -0.016858 32O 1dz2 0.002369 0.003697 -0.000223 0.000312 0.001192 -0.000210 32O 1dxz -0.000959 -0.003959 0.000669 0.001310 -0.000535 -0.000182 32O 1dyz 0.001483 -0.000823 0.002325 0.001565 0.003275 0.000241 32O 1dx2y2 -0.000810 -0.001684 0.001008 0.000974 -0.002942 -0.000764 32O 1dxy -0.001871 0.001685 0.000648 0.002183 -0.005229 -0.000574 32O 2dz2 -0.011958 0.004414 -0.010907 0.005087 -0.012191 -0.003750 32O 2dxz -0.011921 -0.028035 0.015037 0.018051 -0.020897 0.006236 32O 2dyz -0.020595 -0.014964 -0.015166 -0.000653 -0.001551 -0.010698 32O 2dx2y2 0.005174 -0.004519 0.006152 0.001801 0.001623 -0.000695 32O 2dxy 0.004588 0.022448 -0.005281 -0.019486 0.008038 -0.018195 32O 1f0 -0.002184 -0.001113 -0.001210 0.005322 -0.008348 -0.000962 32O 1f+1 0.001279 -0.003737 0.003740 -0.002576 0.003431 0.001352 32O 1f-1 -0.006469 -0.000996 -0.002493 0.001470 -0.010022 -0.002192 32O 1f+2 0.001562 0.005461 0.000873 -0.003606 0.003218 0.000319 32O 1f-2 0.004100 0.002987 0.001865 0.002403 -0.005419 -0.001981 32O 1f+3 -0.002727 -0.002761 0.001514 0.000029 -0.002642 0.000351 32O 1f-3 -0.003454 0.000231 -0.001285 -0.000447 -0.000264 0.001492 33O 1s 0.015887 0.024776 0.006652 -0.009783 0.026938 0.034491 33O 2s 0.060620 0.086256 0.029316 -0.036904 0.094893 0.117285 33O 3s -0.634523 -0.665442 -0.394426 0.402846 -0.778515 -0.820683 33O 4s 2.283897 1.296082 1.661838 -1.588106 1.769799 1.179437 33O 5s -1.015989 -1.914037 -0.308078 -0.734979 -2.174292 -2.588619 33O 1pz -0.044735 0.187732 -0.059478 0.042306 0.137734 0.034399 33O 1px -0.076295 0.004300 -0.162107 -0.032312 -0.066322 0.003527 33O 1py -0.057351 0.079281 -0.056394 0.049925 0.147541 -0.014871 33O 2pz 0.541582 -0.424416 0.591800 -0.452691 -0.143648 -0.294756 33O 2px -0.358800 -0.015369 -0.127290 0.519403 0.022251 0.287292 33O 2py 0.202016 -0.160723 0.187629 -0.225670 -0.394676 0.021750 33O 3pz 0.131314 0.435514 0.219136 -0.246372 0.370895 0.064409 33O 3px 0.249092 0.292644 -0.122593 0.335503 0.429528 0.578336 33O 3py 0.164935 0.428450 0.097578 -0.053149 0.291039 0.171277 33O 1dz2 0.002219 0.001012 -0.001989 -0.004270 -0.008097 -0.001122 33O 1dxz 0.001239 -0.001288 0.009285 0.008478 0.002619 -0.010077 33O 1dyz -0.009057 -0.007477 -0.003229 0.008633 0.004839 -0.006257 33O 1dx2y2 -0.006293 -0.002741 -0.007660 -0.000035 0.002994 0.005357 33O 1dxy -0.005611 0.005490 -0.006454 0.001194 -0.010119 -0.000582 33O 2dz2 0.044276 -0.065551 0.176851 0.051330 0.103608 0.025959 33O 2dxz -0.071784 0.022875 -0.115271 0.044406 -0.050451 0.058705 33O 2dyz -0.050744 -0.029467 0.002102 -0.025617 -0.124839 0.011827 33O 2dx2y2 -0.056068 0.020264 -0.083284 -0.026026 -0.045296 -0.115116 33O 2dxy -0.135178 -0.018706 -0.074580 0.155521 0.141910 -0.087331 33O 1f0 -0.006597 0.008324 -0.020123 -0.000699 -0.012646 0.008216 33O 1f+1 -0.006754 -0.015386 0.005479 0.021124 0.004547 0.017091 33O 1f-1 0.018511 -0.009610 0.012262 -0.016732 0.004887 0.015325 33O 1f+2 0.022343 -0.001640 0.026680 -0.009883 0.016482 -0.016139 33O 1f-2 -0.001577 0.003916 -0.010046 0.003537 -0.016179 0.022616 33O 1f+3 0.022657 -0.006671 0.023040 -0.022542 -0.009314 0.001399 33O 1f-3 0.014839 -0.003520 0.002040 -0.015443 -0.015105 0.008993 34O 1s -0.003206 0.020321 -0.016870 0.000627 -0.025599 0.035016 34O 2s -0.015998 0.071459 -0.063887 -0.001806 -0.087780 0.116009 34O 3s 0.251506 -0.569760 0.578933 0.105735 0.654428 -0.741054 34O 4s -1.114402 1.226962 -1.516755 -0.622554 -1.215372 0.697326 34O 5s 0.751113 -1.242666 1.993411 -0.131522 1.793686 -2.460982 34O 1pz 0.192236 0.042082 -0.069855 0.148304 -0.097878 0.087043 34O 1px -0.208415 0.083076 -0.131324 -0.102730 -0.024637 -0.064975 34O 1py -0.258139 -0.072282 0.289541 -0.134239 0.143842 0.032472 34O 2pz -0.432677 -0.090589 0.156789 -0.351603 0.238102 -0.200954 34O 2px 0.035231 -0.121283 0.047590 -0.083254 0.109442 -0.450135 34O 2py 0.734334 0.126894 -0.641080 0.411589 -0.337008 0.045158 34O 3pz -0.207002 0.332371 -0.465887 0.020720 -0.361391 0.207944 34O 3px -0.029969 0.204062 0.063323 -0.346953 0.173986 -0.657890 34O 3py 0.190152 -0.510167 0.735444 0.103977 0.387723 -0.027437 34O 1dz2 -0.008899 0.001773 -0.014913 -0.008278 0.002574 -0.011498 34O 1dxz -0.016442 -0.000438 0.012124 -0.004151 0.002925 0.001915 34O 1dyz -0.004096 0.005691 -0.013556 -0.003838 -0.003494 0.001003 34O 1dx2y2 0.016376 0.002993 0.004696 0.008174 -0.005436 0.016473 34O 1dxy 0.004327 -0.000307 -0.002186 0.001208 0.002243 0.003044 34O 2dz2 -0.030160 0.005692 0.030504 0.033489 -0.028497 0.061741 34O 2dxz -0.123180 0.015384 -0.103178 -0.168997 0.088930 -0.057506 34O 2dyz -0.036600 0.049228 -0.089067 -0.002197 -0.046884 0.048758 34O 2dx2y2 0.088892 0.002394 -0.137577 0.018112 -0.012652 -0.173989 34O 2dxy 0.236760 0.029475 -0.217888 0.131487 -0.033244 -0.084032 34O 1f0 0.011903 -0.002901 -0.023501 -0.005181 0.006835 -0.013801 34O 1f+1 0.031517 0.007712 -0.033282 0.002329 0.004486 0.015856 34O 1f-1 -0.005118 0.000292 -0.003256 0.000297 -0.003821 -0.021656 34O 1f+2 -0.001892 -0.006929 0.042383 0.016493 -0.009711 -0.001013 34O 1f-2 0.001746 -0.009994 0.014938 0.007843 -0.006049 -0.015698 34O 1f+3 0.019718 0.000634 -0.001497 0.018491 -0.012939 0.012598 34O 1f-3 -0.007776 0.020068 -0.041483 -0.014277 0.003476 -0.045187 35O 1s 0.010914 0.015782 -0.007524 -0.004204 0.018799 -0.026271 35O 2s 0.042978 0.054634 -0.022618 -0.014561 0.068245 -0.086753 35O 3s -0.450008 -0.407329 0.098644 0.141172 -0.570249 0.556828 35O 4s 1.433719 0.741587 0.201421 -0.434542 1.265676 -0.521448 35O 5s -1.436594 -1.451639 0.024012 -0.325999 -1.755092 1.356800 35O 1pz -0.151346 0.119599 -0.223299 0.242421 0.198716 0.131037 35O 1px 0.243215 0.016778 0.136163 -0.086887 0.126636 0.082137 35O 1py -0.015306 0.110364 -0.110586 0.055802 0.115425 0.052645 35O 2pz 0.428614 -0.274712 0.538970 -0.639653 -0.448124 -0.290667 35O 2px -0.200265 -0.103712 -0.095601 0.080799 -0.229904 0.199487 35O 2py 0.222457 -0.288777 0.346750 -0.207042 -0.201526 0.052342 35O 3pz 0.487028 0.396559 -0.021138 0.003285 0.825869 0.123273 35O 3px -0.064420 -0.112555 0.055871 -0.411910 0.166356 0.429166 35O 3py 0.270890 0.293007 0.019699 -0.204219 0.542796 0.141768 35O 1dz2 0.005193 -0.002447 0.004316 -0.003329 -0.004959 0.006437 35O 1dxz 0.007196 -0.001676 0.010566 -0.002102 -0.001515 0.000002 35O 1dyz -0.004181 -0.003850 -0.000843 -0.001712 -0.007583 0.001536 35O 1dx2y2 -0.018794 0.001314 -0.009374 0.009360 0.002035 -0.005666 35O 1dxy -0.010327 0.001273 0.000972 -0.008317 -0.015035 -0.011388 35O 2dz2 -0.001554 -0.025939 0.011957 -0.038822 -0.022474 -0.078482 35O 2dxz 0.154717 -0.037288 0.140136 -0.192385 -0.128147 -0.166567 35O 2dyz 0.024434 -0.046144 0.020467 -0.127792 -0.128922 -0.049149 35O 2dx2y2 -0.117933 0.062314 -0.103061 0.042322 -0.059015 0.081872 35O 2dxy 0.025698 -0.078113 0.082360 0.032417 0.077941 0.061109 35O 1f0 -0.007552 -0.002209 -0.001964 -0.001582 -0.026738 -0.021300 35O 1f+1 -0.013561 0.013721 -0.010848 -0.003103 -0.024964 -0.010250 35O 1f-1 -0.001480 -0.000663 0.004690 0.004319 0.000969 -0.022255 35O 1f+2 0.007524 0.012052 -0.011793 -0.010457 0.002186 0.031704 35O 1f-2 0.005859 -0.000408 0.010607 0.013225 0.035919 0.013287 35O 1f+3 0.000257 0.014368 -0.009157 -0.024441 -0.019072 -0.003724 35O 1f-3 -0.026877 -0.005063 -0.012676 0.037881 0.028618 -0.013689 534 535 536 537 538 539 3.43385 3.44228 3.44407 3.45723 3.47019 3.48109 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s 0.000079 0.002749 0.001110 -0.000745 -0.000098 0.000317 0Rh 2s -0.004972 -0.021124 -0.002089 0.006913 0.001095 -0.001276 0Rh 3s -0.002539 0.003581 0.005345 -0.000257 0.000078 0.001115 0Rh 4s 0.026484 0.114422 0.012151 -0.037540 -0.005883 0.007032 0Rh 5s -0.071161 -0.236369 -0.003407 0.084693 0.013076 -0.010060 0Rh 6s 0.119144 0.154555 -0.088309 -0.091073 -0.011997 -0.013707 0Rh 7s -0.661397 -0.057584 0.795773 0.305115 0.078745 0.242672 0Rh 8s -0.018434 -0.178275 0.128168 -0.017946 -0.009293 0.013479 0Rh 1pz 0.011435 -0.002847 0.000710 -0.010529 -0.002861 -0.000253 0Rh 1px -0.003548 -0.001011 0.009228 -0.004594 -0.002468 0.002107 0Rh 1py 0.010030 -0.003399 0.005450 0.008269 0.003109 0.001541 0Rh 2pz -0.042977 0.011246 -0.002780 0.039705 0.011289 0.001170 0Rh 2px 0.012877 0.003571 -0.034246 0.017565 0.009621 -0.007752 0Rh 2py -0.038071 0.013196 -0.020279 -0.031230 -0.012231 -0.005617 0Rh 3pz 0.068870 -0.031402 0.006951 -0.066223 -0.030784 -0.006704 0Rh 3px -0.010451 -0.001388 0.044983 -0.034793 -0.023280 0.008470 0Rh 3py 0.069324 -0.031183 0.027686 0.053076 0.033106 0.005087 0Rh 4pz 0.061376 0.051968 -0.007901 -0.045951 0.047055 0.020441 0Rh 4px -0.066184 -0.020141 0.095847 0.006247 0.023618 0.030557 0Rh 4py 0.015987 0.031316 0.052348 0.031596 -0.051964 0.025638 0Rh 5pz -0.222915 -0.093430 0.023147 0.182093 -0.087218 -0.036628 0Rh 5px 0.188928 0.029627 -0.301140 0.008790 -0.025772 -0.091482 0Rh 5py -0.109559 -0.047759 -0.153009 -0.129721 0.094676 -0.064347 0Rh 6pz 0.273479 -0.143753 -0.288364 -0.139797 0.001352 -0.226962 0Rh 6px -0.566599 0.221044 0.668296 0.327463 -0.257832 0.202406 0Rh 6py 0.156431 0.004987 -0.111950 -0.133852 0.151350 -0.123134 0Rh 1dz2 0.013765 -0.007174 0.017553 0.010479 -0.014030 -0.014308 0Rh 1dxz -0.005674 0.028593 0.012231 0.014719 0.009179 -0.018052 0Rh 1dyz -0.007958 -0.003719 0.000607 -0.001850 -0.033205 0.007002 0Rh 1dx2y2 0.014386 -0.015876 -0.000698 0.012508 0.009457 -0.016327 0Rh 1dxy 0.005675 0.002894 -0.018238 -0.006416 -0.023198 -0.014336 0Rh 2dz2 0.002865 -0.003319 0.000515 0.001555 0.001105 0.002548 0Rh 2dxz -0.001271 0.003216 0.000118 0.003019 0.001659 -0.003183 0Rh 2dyz -0.001207 -0.002212 -0.001102 0.001427 0.004547 0.012405 0Rh 2dx2y2 0.000967 0.000116 0.002532 0.002043 0.003489 -0.000375 0Rh 2dxy -0.000423 0.001672 -0.003038 -0.001382 -0.000835 0.002639 0Rh 3dz2 -0.059703 0.039407 -0.061729 -0.042713 0.042569 0.037185 0Rh 3dxz 0.024925 -0.111682 -0.041964 -0.063805 -0.038882 0.076348 0Rh 3dyz 0.032380 0.022844 0.003161 -0.000233 0.091848 -0.080786 0Rh 3dx2y2 -0.052938 0.053448 -0.009317 -0.051864 -0.048303 0.057438 0Rh 3dxy -0.017273 -0.017449 0.075703 0.028080 0.082625 0.036944 0Rh 4dz2 0.073638 -0.065252 0.047370 0.046306 -0.018830 -0.000660 0Rh 4dxz -0.031947 0.113776 0.030479 0.078940 0.046964 -0.091753 0Rh 4dyz -0.035533 -0.044929 -0.017733 0.015249 -0.013720 0.190778 0Rh 4dx2y2 0.046395 -0.037936 0.034671 0.059777 0.075289 -0.046693 0Rh 4dxy 0.006610 0.031207 -0.088020 -0.035822 -0.067082 -0.000852 0Rh 5dz2 -0.056605 0.146160 0.056501 0.024176 -0.022094 -0.047467 0Rh 5dxz 0.055642 0.007471 0.036441 -0.067880 -0.054966 0.055642 0Rh 5dyz 0.015049 0.169550 0.086935 -0.029196 -0.184363 -0.170456 0Rh 5dx2y2 0.020897 -0.071117 -0.069916 -0.045959 -0.101375 -0.003150 0Rh 5dxy 0.059516 -0.066824 0.084485 0.058382 -0.009375 -0.036710 0Rh 1f0 -0.015622 0.019539 0.000706 -0.024110 -0.002580 -0.016504 0Rh 1f+1 -0.009903 -0.011375 -0.020107 0.013109 -0.000159 0.023545 0Rh 1f-1 -0.041187 0.006894 -0.019710 0.007796 -0.003996 -0.024979 0Rh 1f+2 0.027032 -0.033490 0.005094 -0.038151 0.000523 -0.015078 0Rh 1f-2 -0.026642 -0.018999 -0.022666 -0.022150 -0.004646 0.041279 0Rh 1f+3 0.003851 -0.022098 -0.013952 0.027162 0.007724 -0.009546 0Rh 1f-3 -0.011151 -0.007681 -0.001338 -0.011544 -0.000312 -0.026309 1Rh 1s 0.000293 -0.002966 0.000340 -0.000771 0.000095 0.000293 1Rh 2s -0.006484 0.020752 0.003523 0.006984 -0.001044 -0.000992 1Rh 3s -0.002178 -0.005094 0.004158 -0.000366 -0.000064 0.001141 1Rh 4s 0.034685 -0.112678 -0.018287 -0.037942 0.005615 0.005500 1Rh 5s -0.087632 0.225965 0.058449 0.085117 -0.012506 -0.006510 1Rh 6s 0.127995 -0.119467 -0.124429 -0.089692 0.011680 -0.017691 1Rh 7s -0.648322 -0.193087 0.774550 0.292574 -0.082933 0.250346 1Rh 8s -0.033328 0.133653 0.169056 -0.006910 0.012785 0.012787 1Rh 1pz -0.011229 -0.002764 -0.001380 0.010773 -0.003304 0.000400 1Rh 1px 0.003610 0.002005 -0.009087 0.004525 -0.002605 -0.001906 1Rh 1py -0.009938 -0.002560 -0.006256 -0.008066 0.002818 -0.001528 1Rh 2pz 0.042160 0.010882 0.005419 -0.040653 0.012945 -0.001734 1Rh 2px -0.013112 -0.007616 0.033669 -0.017306 0.010137 0.006970 1Rh 2py 0.037709 0.010106 0.023434 0.030430 -0.011128 0.005580 1Rh 3pz -0.066493 -0.029592 -0.014126 0.068523 -0.033234 0.007905 1Rh 3px 0.010883 0.013249 -0.043237 0.034408 -0.024160 -0.006647 1Rh 3py -0.068454 -0.027721 -0.035775 -0.050916 0.031163 -0.005362 1Rh 4pz -0.065608 0.046563 0.019157 0.043396 0.043661 -0.020873 1Rh 4px 0.065886 0.011193 -0.097553 -0.006864 0.023129 -0.031991 1Rh 4py -0.016606 0.042696 -0.041715 -0.034849 -0.052723 -0.023587 1Rh 5pz 0.230882 -0.079042 -0.042190 -0.178310 -0.076575 0.035691 1Rh 5px -0.187032 -0.067387 0.297162 -0.006639 -0.024082 0.092970 1Rh 5py 0.109333 -0.078202 0.134378 0.135523 0.098673 0.058997 1Rh 6pz -0.276551 -0.229073 0.226506 0.155347 0.007409 0.261025 1Rh 6px 0.541405 0.415921 -0.579393 -0.336322 -0.245888 -0.217740 1Rh 6py -0.130455 -0.027114 0.114155 0.139331 0.140238 0.140406 1Rh 1dz2 0.014379 0.003649 0.019768 0.009944 0.013168 -0.014977 1Rh 1dxz -0.002980 -0.030567 0.004612 0.014958 -0.010753 -0.018365 1Rh 1dyz -0.006753 0.002616 0.003053 -0.001189 0.033494 0.005492 1Rh 1dx2y2 0.014645 0.017142 0.004223 0.012707 -0.010818 -0.016122 1Rh 1dxy 0.005080 0.002250 -0.017601 -0.005532 0.022872 -0.016186 1Rh 2dz2 0.002612 0.003284 0.001427 0.001362 -0.001027 0.002378 1Rh 2dxz -0.000967 -0.003051 -0.000632 0.003201 -0.001967 -0.003227 1Rh 2dyz -0.001503 0.002263 -0.000442 0.001185 -0.004115 0.012047 1Rh 2dx2y2 0.001212 -0.000659 0.002475 0.001895 -0.003597 -0.000335 1Rh 2dxy -0.000618 -0.000928 -0.003342 -0.001380 0.000949 0.002239 1Rh 3dz2 -0.060613 -0.027343 -0.073386 -0.040009 -0.039982 0.040268 1Rh 3dxz 0.014407 0.117597 -0.012683 -0.065454 0.045661 0.077606 1Rh 3dyz 0.029701 -0.019388 -0.008181 -0.001350 -0.094815 -0.073955 1Rh 3dx2y2 -0.054920 -0.055203 -0.025781 -0.051842 0.053430 0.056561 1Rh 3dxy -0.014365 -0.003380 0.074937 0.025069 -0.082038 0.045086 1Rh 4dz2 0.071198 0.056790 0.066063 0.042248 0.017758 -0.005283 1Rh 4dxz -0.021221 -0.116026 0.001595 0.082251 -0.055363 -0.092924 1Rh 4dyz -0.037544 0.043784 -0.000932 0.013017 0.020483 0.180947 1Rh 4dx2y2 0.050425 0.032983 0.046089 0.057760 -0.080146 -0.045714 1Rh 4dxy 0.002520 -0.008053 -0.090880 -0.033743 0.067856 -0.011247 1Rh 5dz2 -0.041450 -0.157275 0.012789 0.028764 0.018953 -0.033973 1Rh 5dxz 0.055320 -0.017364 0.031738 -0.075788 0.062322 0.052638 1Rh 5dyz 0.033683 -0.183975 0.032322 -0.014710 0.178629 -0.144563 1Rh 5dx2y2 0.010623 0.087247 -0.049864 -0.035246 0.101631 -0.002448 1Rh 5dxy 0.060199 0.048285 0.097584 0.061202 0.007665 -0.025308 1Rh 1f0 0.014424 0.020660 0.004813 0.024408 -0.001884 0.016845 1Rh 1f+1 0.010415 -0.016238 0.015475 -0.013503 -0.000704 -0.022787 1Rh 1f-1 0.042495 0.002722 0.021210 -0.008317 -0.001639 0.025791 1Rh 1f+2 -0.024509 -0.031018 -0.013097 0.038328 -0.000402 0.014376 1Rh 1f-2 0.028131 -0.021647 0.016397 0.022439 -0.005814 -0.040271 1Rh 1f+3 -0.002718 -0.026409 0.007109 -0.027740 0.008314 0.009414 1Rh 1f-3 0.013243 -0.007235 0.000016 0.010962 0.001003 0.026475 2C 1s -0.011350 -0.007819 -0.002570 0.003703 -0.001688 -0.002840 2C 2s -0.028770 -0.020842 -0.005726 0.009324 -0.006769 -0.010503 2C 3s -0.268806 0.021685 -0.067179 0.090610 0.128051 0.171960 2C 4s 2.615200 0.947174 -0.346915 -0.653665 -0.429754 -0.354169 2C 5s -0.173924 1.622497 -0.846693 0.821283 0.898115 3.668573 2C 1pz 0.028606 0.094491 -0.039413 0.014348 -0.041958 0.030991 2C 1px -0.008006 -0.014300 -0.096880 0.023757 0.071239 0.112631 2C 1py -0.053939 -0.027530 0.041155 -0.007210 0.082230 -0.010303 2C 2pz 0.734828 0.014270 -0.654182 -0.181020 0.053488 -0.468717 2C 2px -0.003464 -0.181678 0.534765 -0.166568 -0.069599 -0.319424 2C 2py 0.805444 0.438308 -0.748259 -0.031991 -0.597712 -0.117809 2C 3pz 0.188381 0.394149 -0.152296 0.099127 0.199432 0.809056 2C 3px -0.033085 0.064014 0.107472 0.019223 -0.185589 0.088303 2C 3py 0.132167 0.294557 -0.164015 0.096516 0.239057 0.554825 2C 1dz2 -0.047706 -0.026206 0.119081 -0.009989 0.126124 -0.095058 2C 1dxz -0.070408 -0.004579 0.051806 0.004706 -0.064051 -0.230189 2C 1dyz 0.001856 0.045320 -0.161420 0.036416 -0.028788 0.097922 2C 1dx2y2 -0.036374 -0.092100 0.043144 -0.011810 0.242563 0.058833 2C 1dxy 0.033105 0.077970 -0.123396 0.031192 -0.081135 -0.007542 2C 2dz2 0.062984 -0.166800 -0.312264 -0.044022 0.144602 -0.032561 2C 2dxz 0.337142 0.264997 -0.208970 -0.054504 -0.053384 0.281485 2C 2dyz 0.213714 -0.078298 -0.154845 -0.060208 -0.210269 -0.337886 2C 2dx2y2 -0.254585 -0.164611 0.357280 -0.022202 -0.214010 -0.213551 2C 2dxy -0.048775 -0.169215 0.475923 -0.130546 0.123857 -0.264102 2C 1f0 0.014325 0.020911 -0.161332 0.033413 -0.080133 0.020300 2C 1f+1 0.087019 0.130439 -0.056369 0.027161 -0.127151 -0.107089 2C 1f-1 0.045451 -0.106448 -0.035978 -0.048260 0.122850 0.065111 2C 1f+2 0.009703 0.004044 0.033765 -0.010039 0.088428 0.061261 2C 1f-2 0.216883 0.151825 0.087439 -0.088037 0.031240 0.004405 2C 1f+3 -0.045678 -0.037089 -0.075300 0.007413 -0.023688 0.004923 2C 1f-3 0.095390 0.041645 0.001815 -0.055548 0.087431 -0.043500 3C 1s 0.000634 -0.000934 0.003923 0.010643 -0.002364 0.000948 3C 2s 0.000850 0.000410 0.010330 0.026761 -0.006846 0.004856 3C 3s 0.045982 -0.177536 0.070341 0.232640 0.107769 -0.121359 3C 4s 0.112197 1.028223 -1.328672 -1.900156 -0.036028 -0.072133 3C 5s 0.093618 -0.711092 -0.356940 0.418735 1.903882 -3.715107 3C 1pz -0.009831 -0.017661 0.041655 0.009397 0.003284 0.076374 3C 1px 0.027923 -0.099309 0.008343 0.034964 -0.011259 -0.045487 3C 1py -0.013112 -0.024977 0.051131 0.000332 -0.076426 0.064627 3C 2pz 0.361861 0.673774 -0.852454 -0.161289 0.231763 -0.476513 3C 2px 0.005211 0.331456 -0.100570 -0.301612 -0.013524 0.160460 3C 2py -0.267784 -0.157583 0.563663 0.263088 0.305173 -0.147841 3C 3pz 0.035740 -0.241285 -0.149825 -0.029671 0.181929 -0.549472 3C 3px -0.009057 -0.000996 -0.015105 -0.036018 0.281144 -0.270362 3C 3py 0.024502 0.065294 0.125970 0.110235 -0.372951 0.766549 3C 1dz2 0.006154 0.073745 0.010899 -0.009062 -0.030968 -0.056135 3C 1dxz -0.008413 0.195839 -0.064047 0.042914 0.103653 -0.014380 3C 1dyz -0.040747 -0.004688 0.071277 -0.018239 -0.012444 0.156069 3C 1dx2y2 0.002170 0.005718 -0.049630 -0.002565 0.010355 -0.166133 3C 1dxy -0.024742 -0.039588 0.020144 -0.095004 -0.060744 -0.040204 3C 2dz2 0.082617 0.131180 -0.233885 0.052312 0.238627 -0.317969 3C 2dxz 0.088427 -0.039551 -0.199668 -0.182134 -0.052412 -0.101084 3C 2dyz -0.042200 -0.067058 0.034558 -0.017677 0.175240 -0.325239 3C 2dx2y2 -0.225218 0.045442 0.340597 -0.075466 0.048868 0.388335 3C 2dxy -0.067545 -0.216178 0.193904 0.214229 -0.016769 0.095246 3C 1f0 -0.027245 0.111357 0.000769 0.022891 0.115974 0.068009 3C 1f+1 -0.027394 0.007525 -0.054754 -0.164332 0.013271 0.000967 3C 1f-1 -0.019331 0.113739 -0.087904 -0.091872 0.041677 -0.035019 3C 1f+2 -0.002573 0.097370 -0.017229 0.095255 0.036254 0.020604 3C 1f-2 -0.012319 -0.120328 0.060113 -0.004465 -0.031936 -0.035634 3C 1f+3 0.028381 0.050857 -0.095009 -0.148000 -0.031547 0.023729 3C 1f-3 -0.069478 -0.042394 0.059204 -0.176713 -0.078075 0.045983 4C 1s -0.003181 -0.002399 -0.002809 -0.000190 0.001317 0.001125 4C 2s -0.009092 -0.005114 -0.009672 0.000094 0.005298 0.005050 4C 3s 0.038670 -0.402056 0.466376 -0.146000 -0.111856 -0.416830 4C 4s 0.008976 2.261211 -1.552381 0.640784 0.262258 1.650540 4C 5s 0.244171 0.280363 0.186256 0.145836 -0.509471 0.797335 4C 1pz -0.080480 -0.080837 0.079454 -0.013004 0.107709 0.054728 4C 1px -0.300067 -0.188979 -0.084037 0.074743 0.000258 -0.029174 4C 1py -0.067871 -0.039562 -0.035832 0.036814 -0.029329 0.048690 4C 2pz 1.036235 0.638596 -1.234854 -0.016012 -0.445792 -0.322389 4C 2px 1.993539 1.234115 0.887844 -0.590517 -0.285417 -0.036616 4C 2py 0.951186 0.521841 -0.398129 -0.246414 -0.009439 -0.227609 4C 3pz 0.415733 1.839576 -0.584870 0.756366 0.711035 3.970402 4C 3px 0.460217 0.523592 -0.099076 0.052026 0.587224 0.655138 4C 3py 0.509786 1.351440 -0.369208 0.430550 0.107115 2.668509 4C 1dz2 0.141575 0.141978 -0.098528 0.027933 -0.218997 0.057056 4C 1dxz 0.149129 0.079623 -0.158152 0.019871 -0.019529 0.128738 4C 1dyz 0.027104 -0.045210 0.025693 -0.050220 0.061555 -0.120262 4C 1dx2y2 0.026735 0.077087 -0.003351 0.032044 -0.238416 -0.158339 4C 1dxy 0.009147 -0.028085 0.052991 -0.012489 0.021102 -0.125419 4C 2dz2 -1.182831 -1.020299 0.396385 0.157220 0.539844 -0.118317 4C 2dxz 0.217283 0.027291 1.642679 -0.424774 -0.240622 -0.495692 4C 2dyz -0.564082 -0.114827 0.266588 0.190660 -0.052763 0.345830 4C 2dx2y2 0.765285 0.812251 -0.879925 -0.003775 0.269436 0.570053 4C 2dxy 0.706068 0.791239 0.386042 -0.146924 -0.216314 0.227324 4C 1f0 -0.005738 -0.043011 0.032345 0.006015 -0.075485 0.038716 4C 1f+1 -0.002519 -0.011130 -0.058667 -0.007719 -0.040800 0.083734 4C 1f-1 -0.051534 -0.033199 -0.090018 0.023068 -0.047108 -0.026175 4C 1f+2 -0.068190 0.120936 -0.351738 0.131029 -0.155520 0.060574 4C 1f-2 0.442153 0.267937 0.268077 -0.127948 -0.039822 -0.013402 4C 1f+3 -0.365855 -0.190509 -0.113372 0.088978 0.169735 -0.073216 4C 1f-3 -0.320747 -0.263141 0.096282 0.053429 0.052307 -0.094697 5C 1s 0.003434 -0.002249 -0.000103 0.003172 -0.002440 -0.002009 5C 2s 0.010452 -0.007825 -0.001735 0.009782 -0.004652 -0.007751 5C 3s -0.242123 0.056439 0.309536 -0.221032 -0.421681 0.569733 5C 4s 0.770132 0.049471 -1.340925 0.674044 2.434448 -2.259920 5C 5s -0.242315 0.562182 -0.091113 -0.359830 0.227751 -0.993348 5C 1pz -0.019688 0.030136 -0.022598 -0.076667 0.009381 -0.047141 5C 1px 0.039188 -0.090247 0.082183 0.242206 0.002195 -0.006091 5C 1py 0.013569 0.136669 -0.108923 -0.066336 0.067132 -0.003953 5C 2pz 0.436981 -0.056101 -0.476960 0.453544 0.001112 -0.163571 5C 2px -0.249205 0.805890 -0.586624 -1.768494 0.207049 0.024760 5C 2py -0.448367 -0.836367 1.278793 0.560266 -0.429519 0.335597 5C 3pz -0.098083 0.156091 -0.289996 -0.237542 1.326602 -2.418041 5C 3px -0.142384 0.047126 -0.312963 -0.327523 0.428545 -1.458663 5C 3py 0.136938 0.511122 0.529840 0.226386 -1.998581 4.017776 5C 1dz2 0.024773 -0.236425 0.077499 0.043632 -0.068118 -0.070048 5C 1dxz 0.010671 -0.158822 0.020367 -0.012141 -0.097169 -0.054913 5C 1dyz -0.000217 0.046274 -0.035526 0.009048 0.037823 -0.160933 5C 1dx2y2 -0.040423 -0.116758 0.126667 0.079567 -0.091080 0.203244 5C 1dxy -0.026580 -0.023677 0.079367 0.040734 0.027916 0.055461 5C 2dz2 -0.010911 0.063587 0.197177 0.399418 -0.276053 0.315467 5C 2dxz -0.400778 0.212950 0.634317 -0.332427 -0.207116 0.733940 5C 2dyz -0.038815 0.249462 -0.187002 -0.678462 -0.177564 0.460910 5C 2dx2y2 0.375803 0.791953 -1.204377 -0.734879 0.769301 -0.934494 5C 2dxy 0.530776 -0.317888 -0.474698 0.751007 0.010515 -0.483280 5C 1f0 -0.091841 0.088237 -0.000716 -0.254063 0.024519 -0.031071 5C 1f+1 -0.050554 -0.100137 0.155262 0.035818 -0.114889 0.190589 5C 1f-1 -0.046821 0.224515 -0.140764 -0.320509 0.112130 -0.090226 5C 1f+2 0.102050 -0.108181 0.024644 0.322334 -0.102323 -0.039494 5C 1f-2 0.118371 0.033226 -0.081043 0.378537 0.097772 -0.153311 5C 1f+3 0.020148 0.032927 -0.014095 0.104108 -0.072055 -0.034504 5C 1f-3 -0.042002 0.142066 -0.148794 -0.251237 0.106549 0.006390 6C 1s 0.003185 0.002489 0.000472 0.003185 0.002340 -0.002087 6C 2s 0.009720 0.008947 0.000386 0.009705 0.004294 -0.007911 6C 3s -0.263191 -0.167972 0.269069 -0.214803 0.446091 0.549068 6C 4s 0.890832 0.417124 -1.233003 0.643512 -2.528928 -2.149286 6C 5s -0.173033 -0.542555 -0.212588 -0.335318 -0.257255 -0.961786 6C 1pz 0.015758 0.027069 0.028721 0.077090 0.010041 0.050311 6C 1px -0.025974 -0.075863 -0.099401 -0.245738 0.004557 0.001072 6C 1py -0.028981 0.103053 0.138632 0.060549 0.065767 0.001136 6C 2pz -0.436888 -0.231853 0.443408 -0.462751 0.010094 0.145652 6C 2px 0.164515 0.700523 0.763706 1.806163 0.184638 0.001822 6C 2py 0.547677 -0.437598 -1.432140 -0.528693 -0.422874 -0.313142 6C 3pz 0.044414 0.053292 0.292758 0.254653 1.414319 2.392939 6C 3px 0.074820 -0.036900 0.278228 0.342581 0.485347 1.437396 6C 3py -0.083313 0.675082 -0.336157 -0.296854 -2.152479 -3.943973 6C 1dz2 0.002681 0.211325 0.134749 0.030853 0.064243 -0.074464 6C 1dxz -0.001090 0.150122 0.063219 -0.017994 0.094727 -0.057330 6C 1dyz 0.010486 -0.033456 -0.043371 0.013172 -0.044861 -0.160816 6C 1dx2y2 -0.053553 0.076261 0.151673 0.077851 0.096752 0.204654 6C 1dxy -0.034230 0.000670 0.080668 0.037542 -0.025612 0.055252 6C 2dz2 -0.019675 -0.106375 0.165254 0.427706 0.280734 0.312131 6C 2dxz -0.417498 -0.432177 0.538649 -0.337975 0.241374 0.716829 6C 2dyz -0.035818 -0.222195 -0.252648 -0.692431 0.207460 0.441407 6C 2dx2y2 0.481707 -0.427407 -1.343492 -0.746220 -0.790234 -0.918382 6C 2dxy 0.527972 0.510742 -0.363830 0.777874 -0.036838 -0.459731 6C 1f0 0.084348 0.099550 0.025289 0.255771 0.024132 0.039615 6C 1f+1 0.066228 -0.054332 -0.175556 -0.042383 -0.125894 -0.191514 6C 1f-1 0.020047 0.190464 0.189368 0.315320 0.110441 0.091219 6C 1f+2 -0.093247 -0.112874 -0.052853 -0.321170 -0.095776 0.035495 6C 1f-2 -0.125560 -0.012654 0.085991 -0.392780 0.107968 0.141279 6C 1f+3 -0.023500 0.025216 0.023883 -0.110321 -0.068103 0.038992 6C 1f-3 0.019317 0.105254 0.175107 0.248657 0.102097 -0.010537 7C 1s -0.003264 0.002865 -0.002074 -0.000254 -0.001337 0.001311 7C 2s -0.009155 0.006989 -0.007956 0.000021 -0.005266 0.005686 7C 3s 0.022831 0.257461 0.542871 -0.170619 0.102548 -0.400860 7C 4s 0.101440 -1.730934 -2.028380 0.773769 -0.223545 1.543086 7C 5s 0.213391 -0.314867 0.128031 0.152209 0.527335 0.677921 7C 1pz 0.075079 -0.049001 -0.096407 0.017765 0.104756 -0.066363 7C 1px 0.307043 -0.190736 0.027359 -0.073616 0.011008 0.029736 7C 1py 0.072286 -0.046188 0.024947 -0.039206 -0.030729 -0.051710 7C 2pz -1.006602 0.199800 1.349284 -0.011442 -0.429150 0.391960 7C 2px -2.058406 1.342150 -0.521465 0.591741 -0.347873 0.028453 7C 2py -0.985672 0.356470 0.516967 0.251526 -0.018609 0.253717 7C 3pz -0.557819 1.593817 1.013082 -0.859736 0.569191 -3.975026 7C 3px -0.476508 0.454600 0.235833 -0.049205 0.551279 -0.643490 7C 3py -0.577157 1.179091 0.714026 -0.505961 0.007608 -2.656710 7C 1dz2 0.139777 -0.099938 -0.135672 0.037929 0.225855 0.053908 7C 1dxz 0.143853 -0.025756 -0.178635 0.024467 0.028928 0.127346 7C 1dyz 0.030355 0.035947 0.037635 -0.055972 -0.064114 -0.120180 7C 1dx2y2 0.016969 -0.069992 -0.024839 0.040773 0.235150 -0.172938 7C 1dxy 0.003545 0.014609 0.058608 -0.014887 -0.026974 -0.132427 7C 2dz2 -1.212156 0.813561 0.644110 0.128843 -0.576396 -0.092183 7C 2dxz 0.254649 -0.482812 1.569272 -0.452494 0.253709 -0.470561 7C 2dyz -0.571423 0.006874 0.290400 0.201111 0.056026 0.344642 7C 2dx2y2 0.796162 -0.493444 -1.050571 0.020715 -0.245667 0.551431 7C 2dxy 0.760414 -0.837596 0.173543 -0.134237 0.248207 0.220821 7C 1f0 0.007048 -0.032769 -0.042460 -0.006629 -0.078637 -0.044429 7C 1f+1 0.004130 -0.019053 0.059663 0.007014 -0.053627 -0.089281 7C 1f-1 0.055378 -0.054240 0.081600 -0.026388 -0.046711 0.026891 7C 1f+2 0.087292 0.015374 0.369720 -0.146321 -0.153527 -0.036584 7C 1f-2 -0.449849 0.304020 -0.179189 0.125194 -0.050923 0.011376 7C 1f+3 0.364992 -0.192797 0.051559 -0.080543 0.185199 0.078632 7C 1f-3 0.340211 -0.220662 -0.159417 -0.047678 0.071565 0.089513 8C 1s 0.000371 0.000177 0.003897 0.010934 0.002242 0.001310 8C 2s 0.000381 -0.002417 0.009494 0.027686 0.006640 0.005854 8C 3s 0.037252 0.163675 0.117503 0.226532 -0.117451 -0.116354 8C 4s 0.206266 -0.677109 -1.542370 -1.894611 0.070831 -0.108894 8C 5s 0.121239 0.854552 -0.119213 0.352180 -2.056510 -3.650461 8C 1pz 0.012607 -0.005261 -0.045404 -0.007367 0.000431 -0.078395 8C 1px -0.022385 -0.099089 -0.035701 -0.032900 -0.008745 0.048149 8C 1py 0.019166 -0.009543 -0.054434 -0.000654 -0.079648 -0.062485 8C 2pz -0.440551 0.393322 0.984256 0.131059 0.244127 0.463203 8C 2px -0.012432 0.307504 0.186501 0.302523 -0.032490 -0.156497 8C 2py 0.277186 0.012089 -0.590110 -0.255266 0.318101 0.144819 8C 3pz -0.037274 -0.282827 0.077020 0.048311 0.205345 0.539608 8C 3px 0.012131 -0.006326 0.018406 0.043729 0.290515 0.260274 8C 3py -0.013101 0.104221 -0.094156 -0.124054 -0.400579 -0.764286 8C 1dz2 0.009152 -0.077208 -0.009141 -0.005361 0.027730 -0.062690 8C 1dxz 0.006461 -0.173890 -0.117464 0.049895 -0.107103 -0.008106 8C 1dyz -0.046694 -0.019498 0.067823 -0.020351 0.019526 0.161406 8C 1dx2y2 0.004994 0.007945 -0.051744 -0.001656 -0.018566 -0.173041 8C 1dxy -0.029843 0.028754 0.028377 -0.098209 0.061803 -0.048087 8C 2dz2 0.112483 -0.049832 -0.254671 0.058336 -0.251801 -0.307567 8C 2dxz 0.093501 0.098922 -0.170573 -0.187886 0.055703 -0.102382 8C 2dyz -0.035797 0.055901 0.057650 -0.027335 -0.189920 -0.329961 8C 2dx2y2 -0.232501 -0.158914 0.312582 -0.078200 -0.032499 0.393086 8C 2dxy -0.080517 0.160966 0.249313 0.216752 0.014807 0.104716 8C 1f0 0.015749 0.108404 0.027076 -0.023536 0.112847 -0.077940 8C 1f+1 0.019772 -0.003691 0.049676 0.161423 0.011775 0.001966 8C 1f-1 0.004097 0.090335 0.112362 0.091755 0.042305 0.036623 8C 1f+2 -0.007486 0.089547 0.041982 -0.102118 0.038029 -0.028604 8C 1f-2 0.019724 -0.100649 -0.091335 0.002610 -0.029587 0.040137 8C 1f+3 -0.036636 0.027335 0.101220 0.145717 -0.035657 -0.021339 8C 1f-3 0.071312 -0.014760 -0.071072 0.181812 -0.082277 -0.037321 9C 1s -0.011994 0.007719 -0.000147 0.003562 0.001283 -0.003437 9C 2s -0.030679 0.020373 0.000710 0.008904 0.005571 -0.012352 9C 3s -0.261378 -0.016021 -0.067405 0.098148 -0.126952 0.178370 9C 4s 2.638130 -0.682395 -0.609500 -0.661196 0.465671 -0.354659 9C 5s -0.037179 -1.341819 -1.223324 0.927241 -0.774797 3.703718 9C 1pz -0.031404 0.078720 0.061792 -0.019961 -0.046085 -0.026190 9C 1px 0.007125 -0.040559 0.093759 -0.025390 0.067223 -0.123834 9C 1py 0.051386 -0.013040 -0.047932 0.009633 0.087104 0.006471 9C 2pz -0.720265 -0.205795 0.636137 0.198643 0.072720 0.487587 9C 2px -0.006157 -0.023944 -0.569375 0.187388 -0.060819 0.302349 9C 2py -0.782866 0.164536 0.829351 0.017194 -0.609536 0.161877 9C 3pz -0.219200 0.326963 0.255209 -0.117881 0.167201 -0.823531 9C 3px 0.024516 0.092975 -0.095404 -0.028631 -0.187444 -0.079394 9C 3py -0.165136 0.236825 0.230097 -0.111481 0.212574 -0.574974 9C 1dz2 -0.045392 -0.004750 0.129031 -0.015527 -0.138636 -0.092724 9C 1dxz -0.074770 -0.011286 0.064839 0.002824 0.048560 -0.255429 9C 1dyz -0.003109 0.000686 -0.168724 0.041515 0.032898 0.094696 9C 1dx2y2 -0.033983 0.079722 0.068536 -0.020303 -0.248436 0.081432 9C 1dxy 0.033013 -0.038381 -0.139499 0.038308 0.079729 -0.012159 9C 2dz2 0.052071 0.246592 -0.258779 -0.053825 -0.147565 -0.030113 9C 2dxz 0.352459 -0.185634 -0.279899 -0.046959 0.077558 0.297373 9C 2dyz 0.204834 0.129721 -0.132160 -0.066667 0.202975 -0.345666 9C 2dx2y2 -0.253690 0.036796 0.381100 -0.023250 0.214682 -0.224177 9C 2dxy -0.044347 0.030383 0.509203 -0.150234 -0.134262 -0.258379 9C 1f0 -0.012765 -0.022109 0.160067 -0.038266 -0.081857 -0.017207 9C 1f+1 -0.086388 0.104870 0.084538 -0.031646 -0.125324 0.126768 9C 1f-1 -0.044965 -0.115186 0.014000 0.052834 0.116748 -0.087416 9C 1f+2 0.000520 0.009302 -0.027050 0.007361 0.081275 -0.065208 9C 1f-2 -0.220447 0.160281 -0.039884 0.088242 0.025345 -0.004981 9C 1f+3 0.046650 -0.050650 0.064437 -0.008110 -0.030168 -0.004306 9C 1f-3 -0.081785 0.028091 0.011029 0.053283 0.086778 0.050192 10H 1s -0.024296 -0.033325 -0.092981 0.013523 0.137520 0.167527 10H 2s 0.022827 0.197780 -0.518471 0.123190 -0.067051 0.023835 10H 3s 0.118536 -0.103282 0.050433 -0.078081 0.072807 -0.081743 10H 1pz -0.034505 0.056674 -0.122977 0.052727 -0.070720 -0.092122 10H 1px 0.078445 -0.023572 0.104486 -0.042924 0.103075 0.106629 10H 1py 0.101371 0.100978 -0.136192 -0.004803 0.008140 0.058805 11H 1s -0.100512 -0.103579 0.147586 -0.018758 0.021545 -0.189068 11H 2s -0.529670 -0.468559 0.122819 0.077355 0.205781 -0.180307 11H 3s 0.171747 0.011385 0.133142 -0.099956 -0.135463 -0.205378 11H 1pz -0.176881 -0.183926 0.025334 -0.002285 0.216758 0.079491 11H 1px -0.175223 -0.090616 -0.077371 0.070774 -0.101937 -0.069317 11H 1py -0.012236 -0.029403 0.101812 -0.035741 0.015056 -0.022004 12H 1s 0.004716 0.031286 -0.131551 0.029886 -0.126547 0.000492 12H 2s -0.355607 -0.202416 -0.237995 0.131327 -0.141784 0.022268 12H 3s 0.214100 0.032878 0.060830 -0.068515 -0.059644 -0.173782 12H 1pz 0.052661 0.047780 -0.034164 0.012487 -0.066206 0.064541 12H 1px -0.073269 -0.066837 0.074370 -0.011024 0.008210 -0.123778 12H 1py -0.204917 -0.122779 -0.140082 0.082062 0.026824 0.072624 13H 1s 0.053987 -0.116179 -0.021981 0.026808 -0.063494 -0.114415 13H 2s 0.185868 0.167976 -0.305224 0.261518 0.143621 -0.269898 13H 3s -0.034301 -0.061513 0.008105 -0.138128 -0.182281 0.150027 13H 1pz 0.053370 0.083156 -0.129774 0.053046 0.062571 -0.108879 13H 1px -0.021832 -0.067853 -0.019388 -0.154688 -0.044762 -0.080241 13H 1py -0.042472 -0.083249 0.067483 -0.104980 -0.038822 -0.004549 14H 1s 0.026755 0.057419 -0.056684 0.078304 0.035454 -0.086401 14H 2s 0.135792 0.015544 0.056949 0.378521 0.037263 -0.122103 14H 3s -0.034699 0.067353 -0.062984 -0.182121 -0.046604 0.159078 14H 1pz 0.084408 -0.063056 -0.002011 0.178096 0.014521 -0.125407 14H 1px 0.038388 -0.035464 0.065842 0.133544 -0.026522 0.061466 14H 1py -0.001326 -0.044112 0.020425 0.035019 -0.045588 0.039099 15H 1s -0.033140 -0.006229 0.093913 0.031320 -0.049728 0.209750 15H 2s -0.035904 -0.355422 0.316668 0.366751 -0.243039 0.241132 15H 3s -0.050780 0.178510 -0.025617 -0.182475 -0.033300 0.221330 15H 1pz -0.022746 -0.065909 0.040153 -0.113692 -0.025422 0.020539 15H 1px -0.001310 0.015361 0.049731 0.155154 0.014414 0.037114 15H 1py -0.004391 0.247352 -0.123538 -0.123445 0.125673 0.005580 16H 1s 0.013586 -0.029953 -0.022625 0.004095 -0.011960 -0.014485 16H 2s -0.086707 0.086331 0.067498 0.124071 -0.016015 0.132492 16H 3s -0.012222 -0.043644 -0.036054 -0.017926 -0.043497 -0.097593 16H 1pz -0.020185 -0.006323 -0.002137 0.059120 -0.003381 0.054916 16H 1px 0.017583 0.012870 0.007997 0.003432 -0.009494 -0.006307 16H 1py 0.004924 -0.002967 -0.008954 0.002777 0.009388 0.026379 17H 1s 0.001191 -0.019846 -0.010172 0.014013 0.020941 -0.015505 17H 2s -0.081160 0.043467 0.070684 0.201329 -0.158234 -0.081259 17H 3s 0.039115 0.017324 -0.029408 -0.056723 0.095987 0.079440 17H 1pz 0.014478 -0.003985 -0.015521 -0.062358 0.036489 0.034936 17H 1px 0.014865 0.002377 -0.005500 -0.044044 0.026844 0.038917 17H 1py -0.006607 -0.009459 -0.000641 0.038928 -0.021932 -0.046569 18H 1s -0.000357 0.022566 -0.004197 0.012227 -0.020271 -0.015022 18H 2s -0.082670 -0.055525 0.054090 0.205337 0.143960 -0.079883 18H 3s 0.042244 -0.010734 -0.031526 -0.057959 -0.089954 0.080077 18H 1pz -0.016331 -0.005625 0.014145 0.063439 0.033455 -0.035890 18H 1px -0.016061 0.002183 0.005688 0.045189 0.023272 -0.038036 18H 1py 0.007171 -0.011201 -0.001528 -0.037036 -0.018277 0.045702 19H 1s 0.010494 0.036124 -0.013193 0.001419 0.013302 -0.018744 19H 2s -0.084810 -0.102530 0.041898 0.128808 0.016031 0.133633 19H 3s -0.014135 0.051684 -0.023140 -0.021731 0.036975 -0.099439 19H 1pz 0.023069 -0.007292 0.000446 -0.057854 -0.004546 -0.052170 19H 1px -0.018139 0.013371 -0.004528 -0.002904 -0.009921 0.007440 19H 1py -0.003081 -0.005347 0.007203 -0.003537 0.007054 -0.025265 20H 1s -0.039144 -0.021175 0.091301 0.032900 0.058633 0.212959 20H 2s -0.080464 0.261755 0.387119 0.363384 0.246471 0.245557 20H 3s -0.042068 -0.176089 -0.070669 -0.176850 0.045785 0.214633 20H 1pz 0.030590 -0.047852 -0.056912 0.119751 -0.027920 -0.015582 20H 1px 0.006196 0.025931 -0.038668 -0.157618 0.014931 -0.043555 20H 1py -0.020476 0.209521 0.180496 0.116754 0.122824 -0.010874 21H 1s 0.031514 -0.038453 -0.072589 0.081120 -0.041319 -0.084727 21H 2s 0.131831 -0.009578 0.052212 0.387715 -0.044442 -0.108710 21H 3s -0.030492 -0.058890 -0.083255 -0.182511 0.053934 0.156526 21H 1pz -0.078812 -0.074318 -0.015137 -0.177776 0.020093 0.123071 21H 1px -0.033172 -0.023207 -0.075146 -0.136129 -0.028139 -0.066871 21H 1py 0.004543 -0.038426 -0.032394 -0.035116 -0.046038 -0.040309 22H 1s 0.046199 0.124777 0.011207 0.022806 0.059345 -0.121768 22H 2s 0.219202 -0.055069 -0.331558 0.274934 -0.160889 -0.247380 22H 3s -0.041828 0.049450 0.022481 -0.141461 0.190088 0.137706 22H 1pz -0.067791 0.039512 0.144490 -0.057450 0.069608 0.101774 22H 1px 0.024646 -0.065452 -0.001812 0.158925 -0.044235 0.090073 22H 1py 0.053273 -0.055998 -0.085559 0.110689 -0.040260 0.014264 23H 1s 0.001804 0.002388 -0.134127 0.035494 0.132854 -0.010251 23H 2s -0.377607 0.246585 -0.164117 0.131128 0.135867 0.008927 23H 3s 0.215682 -0.040675 0.048545 -0.070580 0.061092 -0.173764 23H 1pz -0.056320 0.035351 0.048239 -0.016744 -0.072524 -0.070829 23H 1px 0.081623 -0.041772 -0.094821 0.014646 0.016324 0.133521 23H 1py 0.211349 -0.149136 0.097319 -0.080111 0.031154 -0.076460 24H 1s -0.103978 0.056739 0.173578 -0.025280 -0.037365 -0.194363 24H 2s -0.539033 0.389176 0.244057 0.060268 -0.225561 -0.168992 24H 3s 0.167130 -0.036713 0.125181 -0.103869 0.129496 -0.213220 24H 1pz 0.174841 -0.159556 -0.068801 0.009927 0.216883 -0.100989 24H 1px 0.179247 -0.098131 0.048503 -0.072057 -0.096077 0.078066 24H 1py 0.007069 0.001518 -0.107721 0.038890 0.014510 0.021550 25H 1s -0.021192 0.056436 -0.086218 0.012209 -0.131408 0.186948 25H 2s 0.008455 -0.042475 -0.539518 0.135701 0.060806 -0.022497 25H 3s 0.116773 0.091709 0.066961 -0.089112 -0.070393 -0.063072 25H 1pz 0.039712 0.020524 0.126831 -0.055892 -0.062071 0.116386 25H 1px -0.084212 0.002364 -0.100011 0.046450 0.096240 -0.129569 25H 1py -0.097172 0.054818 0.157025 -0.000177 0.001509 -0.051371 26O 1s 0.017416 0.027696 0.009844 -0.000271 0.014570 0.013733 26O 2s 0.051958 0.089551 0.034397 0.001071 0.053686 0.052069 26O 3s -0.141929 -0.483986 -0.266654 -0.061647 -0.477263 -0.430251 26O 4s -1.036718 -0.086056 0.543207 0.409880 1.171190 0.824938 26O 5s -1.673328 -3.230418 -0.297388 -0.340108 -0.907433 -3.030737 26O 1pz 0.104273 -0.021034 0.259629 -0.082619 -0.173956 -0.169441 26O 1px 0.188509 0.067528 -0.065590 -0.063174 -0.045138 -0.137031 26O 1py 0.040669 -0.045622 0.118044 -0.028554 -0.067348 -0.176996 26O 2pz -0.103411 0.156506 -0.653921 0.178966 0.396958 0.472210 26O 2px 0.544007 0.698245 0.194394 -0.041857 -0.100244 0.393430 26O 2py 0.419053 0.523288 -0.276575 -0.009296 0.052773 0.486310 26O 3pz 0.125514 -0.467377 -0.132025 -0.177562 -0.269424 -0.752836 26O 3px 0.824057 0.786989 -0.252147 -0.120973 0.138769 0.345134 26O 3py 0.323025 -0.006539 -0.174913 -0.113883 -0.002138 -0.344712 26O 1dz2 -0.014462 -0.011326 -0.008998 0.006507 -0.003857 -0.000224 26O 1dxz -0.004214 -0.009703 0.009639 -0.001956 0.005823 -0.004371 26O 1dyz -0.005196 -0.007271 -0.000827 -0.002636 -0.000517 -0.011415 26O 1dx2y2 0.014075 0.011601 -0.000457 -0.002529 0.002921 -0.005554 26O 1dxy 0.024466 0.014957 0.000653 -0.003413 -0.015722 -0.006214 26O 2dz2 0.084093 0.087064 0.036233 -0.011157 -0.047890 -0.069679 26O 2dxz 0.122762 0.045985 0.216885 -0.060474 -0.048914 -0.011891 26O 2dyz -0.005688 -0.015954 0.028490 -0.016849 -0.048026 -0.069096 26O 2dx2y2 0.009974 -0.024103 -0.130023 0.017464 -0.043025 0.048212 26O 2dxy -0.184684 -0.188376 0.061810 0.013220 0.064241 -0.031136 26O 1f0 -0.028909 -0.014756 0.004949 0.004782 -0.000439 -0.007701 26O 1f+1 -0.039641 -0.031620 0.018938 0.003468 0.012120 -0.021814 26O 1f-1 -0.024157 -0.012785 -0.012991 0.011538 -0.015415 -0.004427 26O 1f+2 0.048164 0.016144 0.024192 -0.014460 0.002865 0.007081 26O 1f-2 0.017173 0.024155 -0.028301 0.006738 -0.025003 0.010040 26O 1f+3 -0.024121 -0.032669 0.019138 -0.004012 0.037655 -0.003301 26O 1f-3 -0.032894 -0.025343 -0.016565 0.011721 -0.016073 0.003337 27O 1s -0.002088 0.007429 -0.011862 -0.015680 0.002664 -0.010815 27O 2s -0.007202 0.020458 -0.036678 -0.049142 0.006176 -0.039619 27O 3s 0.052678 -0.029473 0.155428 0.201612 0.054417 0.284621 27O 4s -0.136962 -0.563181 0.365926 0.553129 -0.522925 -0.329287 27O 5s 0.115753 -0.536119 1.335194 1.374743 -1.693372 3.085247 27O 1pz -0.058516 -0.002525 0.104621 0.017241 -0.054346 0.120657 27O 1px 0.009325 0.085407 -0.075077 -0.077407 -0.032834 0.139175 27O 1py 0.134545 -0.142770 -0.082821 0.203458 0.025974 -0.192303 27O 2pz 0.126359 -0.002717 -0.257698 -0.068391 0.146847 -0.322835 27O 2px -0.052010 0.314570 -0.350183 -0.609544 0.562549 -0.577023 27O 2py -0.324641 0.244451 0.328642 -0.322284 -0.206135 0.591353 27O 3pz -0.039434 -0.003381 0.113671 0.165136 -0.334430 0.426920 27O 3px 0.164835 0.326675 -0.646596 -0.459822 0.243116 -0.530829 27O 3py -0.062053 -0.247674 0.026597 0.078448 0.339718 -0.467544 27O 1dz2 -0.000659 -0.013079 0.008492 0.010998 -0.007117 -0.001678 27O 1dxz -0.004806 0.006530 0.002185 -0.006373 0.001912 0.000132 27O 1dyz -0.000539 -0.003154 0.001149 -0.003228 0.000098 -0.002849 27O 1dx2y2 -0.004988 0.012234 -0.008971 -0.022337 0.009774 0.000993 27O 1dxy 0.003073 0.004877 -0.006586 0.001022 0.005146 -0.008012 27O 2dz2 -0.008388 0.030463 -0.041506 -0.035639 0.050271 -0.038557 27O 2dxz -0.013658 -0.060338 0.125715 0.071693 -0.122193 0.099996 27O 2dyz -0.034142 -0.019303 -0.009951 -0.096627 0.041251 -0.030994 27O 2dx2y2 0.056119 -0.163230 0.069469 0.175220 -0.056340 -0.037909 27O 2dxy 0.107658 -0.097520 -0.047792 0.184079 0.080975 -0.071159 27O 1f0 -0.001028 0.019480 -0.010502 -0.012880 0.011385 -0.002645 27O 1f+1 0.005455 -0.000808 0.009506 0.030619 -0.008922 -0.008024 27O 1f-1 -0.000226 0.017447 -0.010022 -0.023527 0.006105 -0.005954 27O 1f+2 -0.008035 -0.029987 0.018537 -0.014194 -0.034542 0.019280 27O 1f-2 -0.013993 0.000622 0.004398 -0.043256 -0.005454 0.007677 27O 1f+3 -0.005989 -0.002896 0.014405 0.013963 -0.013702 0.018763 27O 1f-3 -0.000718 0.028897 -0.031816 -0.039520 0.007810 -0.025669 28O 1s -0.016587 0.010270 -0.006509 0.008117 -0.023435 0.005690 28O 2s -0.053622 0.036448 -0.015488 0.025976 -0.081024 0.022730 28O 3s 0.299154 -0.290204 -0.112691 -0.124263 0.634856 -0.194692 28O 4s -0.098339 0.643252 1.512147 -0.119910 -1.347809 0.318373 28O 5s 0.386640 -1.661684 1.282112 -0.900874 0.809295 -2.736139 28O 1pz -0.183072 -0.238381 0.041506 0.026574 0.016781 -0.171664 28O 1px 0.037084 -0.012671 0.134752 -0.019964 0.057854 0.140378 28O 1py -0.162347 -0.191761 -0.007586 0.036541 0.079468 -0.047031 28O 2pz 0.143810 0.599355 -0.791977 0.173246 0.020781 0.517875 28O 2px 0.286034 0.089444 0.421638 -0.213352 -0.206962 -0.349089 28O 2py 0.370826 0.486057 -0.040796 -0.054847 -0.152940 0.131409 28O 3pz 0.007731 -0.032156 -0.415754 -0.005625 -0.230429 -0.162291 28O 3px 0.017229 -0.394807 0.601205 -0.202867 0.194684 -0.470511 28O 3py -0.029970 -0.216156 -0.032275 -0.027216 0.053429 -0.328826 28O 1dz2 -0.004006 -0.002348 -0.004986 0.000912 -0.000963 0.002255 28O 1dxz 0.023977 0.003733 0.010943 -0.008120 0.004678 0.009726 28O 1dyz 0.006407 0.000636 0.003964 -0.002813 0.001947 -0.000521 28O 1dx2y2 -0.008196 -0.000045 -0.009404 0.004162 -0.004602 -0.006553 28O 1dxy 0.004609 0.000179 -0.007570 -0.001081 0.006065 0.003935 28O 2dz2 -0.030065 -0.119475 0.166858 -0.009015 -0.019849 -0.026326 28O 2dxz 0.003357 0.082282 -0.156751 0.038853 -0.049136 0.003161 28O 2dyz -0.044567 -0.100439 -0.059903 -0.011003 0.016155 0.034299 28O 2dx2y2 0.125318 0.094111 -0.017588 -0.032663 0.015645 0.010242 28O 2dxy 0.172487 0.132748 0.048226 -0.027507 0.006919 -0.035163 28O 1f0 0.025867 0.003307 0.027895 -0.010779 -0.008025 0.000826 28O 1f+1 0.016292 0.011228 0.014495 -0.011425 0.008353 0.000146 28O 1f-1 0.032097 0.019875 -0.010637 -0.004794 0.013439 0.020932 28O 1f+2 -0.019906 0.004345 -0.046094 0.013807 -0.012071 0.002396 28O 1f-2 0.017519 0.020284 0.020908 -0.002946 -0.011432 -0.006418 28O 1f+3 -0.000224 0.007849 -0.012038 0.005887 0.014061 -0.004216 28O 1f-3 0.021317 0.015243 -0.001628 -0.001375 -0.004862 0.005132 29O 1s -0.004425 0.009854 0.004515 0.001502 -0.001621 0.001638 29O 2s -0.015616 0.034337 0.016279 0.004156 -0.005342 0.006086 29O 3s 0.120640 -0.263357 -0.134008 -0.005632 0.032774 -0.052950 29O 4s -0.275650 0.450067 0.314710 0.007861 -0.062513 0.122232 29O 5s 0.552830 -0.349047 -0.574457 -0.372287 0.210961 -0.196049 29O 1pz -0.000804 -0.024739 0.006742 -0.011640 -0.007882 -0.024980 29O 1px 0.007476 0.073182 -0.002571 0.019395 -0.021616 -0.019014 29O 1py 0.026372 0.010578 -0.000549 -0.011837 0.001717 0.007450 29O 2pz -0.004865 0.043628 -0.021221 0.028365 0.042248 0.136800 29O 2px 0.007359 -0.144909 -0.008945 -0.095637 0.074889 0.067881 29O 2py -0.066989 -0.026420 0.005188 0.080634 -0.021693 -0.024052 29O 3pz 0.031890 -0.001647 -0.028681 -0.060234 0.004444 -0.053085 29O 3px -0.145928 0.130593 0.154211 0.092156 -0.056128 0.030747 29O 3py -0.038131 0.068581 0.072160 0.092865 -0.087722 0.037503 29O 1dz2 0.000246 -0.001156 -0.000905 0.002393 0.002046 0.002814 29O 1dxz 0.000134 -0.004347 -0.001527 0.002401 -0.001739 -0.001161 29O 1dyz -0.000212 -0.001702 -0.002125 0.000978 0.001932 0.008097 29O 1dx2y2 0.001846 0.000330 0.000106 -0.001795 -0.000721 -0.000157 29O 1dxy -0.000628 0.000277 0.000821 -0.000780 0.005051 0.004301 29O 2dz2 -0.001585 0.004863 0.012133 -0.006181 0.003888 -0.016280 29O 2dxz 0.009451 -0.010505 0.001437 -0.021881 0.002007 0.029842 29O 2dyz -0.001352 -0.003726 0.001250 0.005031 -0.008582 -0.029539 29O 2dx2y2 0.010443 0.006746 -0.009345 -0.005619 -0.003502 0.004636 29O 2dxy -0.004614 -0.001369 0.006852 0.039930 -0.003095 -0.016178 29O 1f0 -0.003372 0.005659 0.004138 0.001169 -0.001759 -0.000174 29O 1f+1 0.002361 0.000193 -0.001590 0.000237 0.003295 -0.001526 29O 1f-1 -0.000710 0.004166 0.002539 -0.000147 0.000303 0.001881 29O 1f+2 0.001746 -0.007113 -0.003480 0.001803 -0.003518 -0.003201 29O 1f-2 0.001914 0.002409 -0.001177 -0.001272 -0.003883 0.003454 29O 1f+3 0.000385 -0.002530 -0.001047 0.002840 0.001002 0.000485 29O 1f-3 0.001211 -0.000284 -0.002321 0.000145 -0.003038 -0.004063 30O 1s 0.000129 0.006343 0.004715 0.015624 0.038587 -0.013838 30O 2s -0.002876 0.021420 0.019328 0.047971 0.133083 -0.048877 30O 3s 0.118224 -0.169421 -0.238689 -0.183434 -0.987598 0.327827 30O 4s -0.751537 0.451846 0.938889 -0.537613 1.743668 -0.221922 30O 5s -0.144726 -0.064167 0.497376 -0.771846 -3.413340 3.442334 30O 1pz 0.030727 -0.073906 0.039577 0.210302 -0.146790 0.118443 30O 1px -0.074876 -0.084776 0.113346 -0.029381 -0.063589 -0.046363 30O 1py 0.021936 0.023943 -0.107048 -0.078159 0.195530 -0.199357 30O 2pz 0.097788 0.130180 -0.295909 -0.165645 0.468373 -0.454578 30O 2px -0.093520 0.276211 -0.029712 -0.506005 0.008059 0.330979 30O 2py -0.281876 -0.029409 0.487674 -0.251581 -0.596580 0.747349 30O 3pz 0.268374 -0.046823 -0.254575 0.125114 0.034814 -0.056944 30O 3px -0.212258 -0.089569 0.369315 -0.183302 -0.830761 0.868930 30O 3py -0.254291 -0.133117 0.282818 -0.033859 0.165185 -0.111901 30O 1dz2 -0.003988 0.003485 0.004407 -0.011422 0.000669 0.004026 30O 1dxz -0.001331 -0.006320 0.002528 -0.010360 -0.005435 -0.003514 30O 1dyz -0.004469 -0.002534 0.000654 -0.003719 0.004309 -0.006152 30O 1dx2y2 0.002902 -0.003298 -0.001410 0.003510 0.005952 0.001960 30O 1dxy 0.005600 -0.001819 0.003199 0.025397 0.005323 0.002384 30O 2dz2 0.040168 -0.075235 0.063720 0.241401 -0.023727 -0.059494 30O 2dxz -0.004918 0.005052 -0.013316 -0.050699 0.085075 0.028717 30O 2dyz 0.018816 0.078671 -0.100145 -0.002526 0.105360 -0.028594 30O 2dx2y2 0.062286 0.057743 -0.141926 -0.030942 -0.002225 -0.050578 30O 2dxy -0.076424 -0.012435 0.108187 -0.121177 -0.073726 0.086965 30O 1f0 -0.005889 -0.002428 0.018001 0.005979 -0.006714 0.011910 30O 1f+1 -0.001836 0.014540 -0.010221 -0.018586 0.007598 -0.000991 30O 1f-1 -0.010186 0.022156 -0.002135 -0.022984 0.007987 0.009548 30O 1f+2 0.007873 -0.006816 0.003736 0.028721 0.001121 0.011370 30O 1f-2 0.017582 -0.001702 -0.014681 0.035324 0.012033 -0.023307 30O 1f+3 0.002337 0.003900 -0.013949 -0.010198 -0.000160 -0.012987 30O 1f-3 0.011957 0.008270 -0.009607 0.034551 0.005373 -0.007380 31O 1s -0.000156 -0.006490 0.002300 0.015435 -0.039390 -0.012235 31O 2s -0.004020 -0.023225 0.010926 0.047069 -0.135866 -0.043559 31O 3s 0.131402 0.222063 -0.167030 -0.170391 1.005583 0.294287 31O 4s -0.792092 -0.755582 0.737411 -0.588393 -1.753387 -0.187613 31O 5s -0.176663 -0.165414 0.490364 -0.749063 3.558125 3.297124 31O 1pz -0.022370 -0.066585 -0.055030 -0.213838 -0.148452 -0.119019 31O 1px 0.082254 -0.046023 -0.130588 0.031185 -0.061273 0.050433 31O 1py -0.027569 -0.005933 0.107930 0.088412 0.204256 0.196821 31O 2pz -0.126328 0.031547 0.306169 0.162627 0.480692 0.439380 31O 2px 0.084409 0.289884 0.106170 0.518851 -0.012112 -0.318090 31O 2py 0.307739 0.138952 -0.466456 0.239272 -0.631791 -0.723789 31O 3pz -0.267434 -0.134706 0.232969 -0.123608 0.032500 0.045433 31O 3px 0.231736 0.047296 -0.374193 0.182293 -0.864004 -0.826007 31O 3py 0.262168 -0.036271 -0.303560 0.043675 0.175802 0.099458 31O 1dz2 -0.003795 -0.005099 0.003322 -0.011234 -0.000237 0.004229 31O 1dxz -0.001711 0.004878 0.003921 -0.011114 0.005245 -0.004096 31O 1dyz -0.004761 0.001825 0.001250 -0.004041 -0.004705 -0.006360 31O 1dx2y2 0.002729 0.003899 -0.000409 0.003503 -0.005887 0.002242 31O 1dxy 0.005321 0.001966 0.003285 0.025657 -0.005509 0.003245 31O 2dz2 0.030450 0.064284 0.077249 0.239828 0.015834 -0.058063 31O 2dxz -0.003521 -0.001089 -0.012859 -0.049148 -0.081344 0.033381 31O 2dyz 0.029980 -0.046918 -0.114338 0.000393 -0.105280 -0.021333 31O 2dx2y2 0.073607 -0.015642 -0.147804 -0.032759 0.000198 -0.050428 31O 2dxy -0.080682 -0.026500 0.106356 -0.121107 0.080068 0.084652 31O 1f0 0.007559 0.003195 -0.017063 -0.005542 -0.006956 -0.011431 31O 1f+1 0.000107 0.011798 0.012998 0.017881 0.007186 0.000740 31O 1f-1 0.008261 0.022106 0.007661 0.021850 0.007107 -0.009726 31O 1f+2 -0.007227 -0.006823 -0.005160 -0.029050 0.001012 -0.012565 31O 1f-2 -0.017967 -0.008419 0.013773 -0.036399 0.013358 0.021759 31O 1f+3 -0.003971 0.000278 0.013663 0.010468 0.000622 0.013590 31O 1f-3 -0.013189 0.003450 0.010934 -0.035680 0.005974 0.005843 32O 1s -0.003632 -0.010955 0.001650 0.001592 0.001389 0.001953 32O 2s -0.012799 -0.038383 0.006260 0.004512 0.004556 0.007232 32O 3s 0.097953 0.298106 -0.056649 -0.008870 -0.027441 -0.062571 32O 4s -0.235063 -0.537350 0.178225 0.015488 0.053418 0.141285 32O 5s 0.527665 0.512216 -0.452337 -0.385074 -0.192286 -0.214794 32O 1pz 0.002528 -0.021765 -0.013097 0.010461 -0.006636 0.024673 32O 1px -0.011929 0.068040 0.021864 -0.018389 -0.020629 0.018792 32O 1py -0.026923 0.009056 0.002949 0.011580 0.000851 -0.005700 32O 2pz 0.002298 0.036962 0.032315 -0.023215 0.036185 -0.134435 32O 2px -0.000083 -0.137051 -0.030023 0.095014 0.069571 -0.066468 32O 2py 0.070335 -0.023788 -0.010858 -0.079645 -0.017237 0.018940 32O 3pz -0.030671 -0.010351 0.025705 0.059466 0.005659 0.054572 32O 3px 0.137187 0.172288 -0.111456 -0.095693 -0.052842 -0.036780 32O 3py 0.035192 0.084174 -0.051492 -0.096192 -0.083733 -0.036158 32O 1dz2 -0.000052 0.001369 -0.000555 0.002385 -0.001913 0.002683 32O 1dxz -0.000130 0.004718 -0.000305 0.002280 0.001665 -0.001237 32O 1dyz -0.000365 0.002265 -0.001688 0.000873 -0.001665 0.008029 32O 1dx2y2 0.001897 -0.000336 0.000081 -0.001993 0.000836 -0.000430 32O 1dxy -0.000556 -0.000602 0.000608 -0.000977 -0.004824 0.004374 32O 2dz2 -0.000581 -0.008257 0.009878 -0.005412 -0.005566 -0.012068 32O 2dxz 0.009191 0.009124 0.004030 -0.023029 -0.000316 0.029601 32O 2dyz -0.000882 0.003418 0.002167 0.005300 0.006578 -0.028138 32O 2dx2y2 0.010826 -0.003550 -0.010841 -0.007126 0.003540 0.004953 32O 2dxy -0.005412 0.000848 0.006614 0.038068 0.001388 -0.014949 32O 1f0 0.002728 0.006505 -0.002208 -0.001447 -0.001389 -0.000049 32O 1f+1 -0.002280 -0.000606 0.001590 -0.000295 0.003310 0.001643 32O 1f-1 0.000451 0.004798 -0.001340 -0.000428 0.000393 -0.002405 32O 1f+2 -0.001245 -0.008260 0.001516 -0.001667 -0.003410 0.003582 32O 1f-2 -0.002022 0.001826 0.001805 0.001090 -0.003962 -0.002948 32O 1f+3 -0.000148 -0.002799 0.000330 -0.003024 0.000934 -0.000604 32O 1f-3 -0.001104 -0.000923 0.002064 -0.000156 -0.002957 0.004110 33O 1s -0.015504 -0.008845 -0.007560 0.009727 0.022838 0.004191 33O 2s -0.049542 -0.033373 -0.019722 0.031463 0.079318 0.017885 33O 3s 0.259781 0.328035 -0.065829 -0.162628 -0.629882 -0.167689 33O 4s 0.014842 -1.062140 1.340431 -0.063312 1.372017 0.302905 33O 5s 0.275935 1.260601 1.580716 -1.069516 -0.861682 -2.624277 33O 1pz 0.202253 -0.212576 -0.097902 -0.018077 0.030332 0.172852 33O 1px -0.040789 0.024120 -0.127714 0.020758 0.050466 -0.149977 33O 1py 0.169534 -0.175678 -0.042520 -0.028844 0.084462 0.043627 33O 2pz -0.171172 0.351996 0.900939 -0.207804 0.003881 -0.493150 33O 2px -0.303276 0.197543 -0.386057 0.225629 -0.214408 0.340621 33O 2py -0.385194 0.426750 0.166327 0.034339 -0.160631 -0.120190 33O 3pz 0.006355 -0.150285 0.393286 0.003532 -0.217245 0.180393 33O 3px 0.003656 -0.212102 -0.657050 0.240171 0.199416 0.433187 33O 3py 0.035922 -0.215410 -0.022591 0.044791 0.065594 0.318490 33O 1dz2 -0.004042 0.003074 -0.004249 0.000705 0.001122 0.002135 33O 1dxz 0.024515 -0.005615 0.009070 -0.008466 -0.003401 0.010835 33O 1dyz 0.006122 -0.001075 0.003342 -0.003100 -0.002006 -0.000224 33O 1dx2y2 -0.008675 0.002557 -0.008802 0.004521 0.003855 -0.007247 33O 1dxy 0.005089 0.001687 -0.007398 -0.001180 -0.005522 0.004649 33O 2dz2 -0.035128 0.072180 0.188004 -0.012573 0.014688 -0.017689 33O 2dxz 0.003801 -0.034923 -0.169078 0.046236 0.047571 -0.007509 33O 2dyz -0.042395 0.104765 -0.031665 -0.015316 -0.012795 0.042245 33O 2dx2y2 0.127115 -0.081054 -0.043645 -0.032854 -0.009747 0.011092 33O 2dxy 0.172252 -0.125160 0.009286 -0.024340 -0.008055 -0.037016 33O 1f0 -0.025806 0.008950 -0.025155 0.010781 -0.008699 -0.002480 33O 1f+1 -0.017126 0.014732 -0.010376 0.011521 0.007037 -0.000912 33O 1f-1 -0.032976 0.014795 0.016121 0.004498 0.011548 -0.022265 33O 1f+2 0.022078 -0.008238 0.044933 -0.015264 -0.011052 0.000805 33O 1f-2 -0.017123 0.023658 -0.014234 0.002400 -0.011644 0.007188 33O 1f+3 0.000723 0.003626 0.013325 -0.006136 0.015070 0.005248 33O 1f-3 -0.021231 0.012792 0.005710 0.000701 -0.005417 -0.004958 34O 1s 0.000106 -0.004699 -0.012010 -0.015334 -0.002740 -0.010659 34O 2s -0.000196 -0.012178 -0.036045 -0.047942 -0.006562 -0.039161 34O 3s 0.015025 -0.001281 0.124244 0.189853 -0.050500 0.282806 34O 4s -0.142399 0.448176 0.551408 0.590358 0.512580 -0.328662 34O 5s -0.070803 0.186636 1.313345 1.418424 1.778731 3.039011 34O 1pz 0.066274 0.033182 -0.095938 -0.013804 -0.058600 -0.121135 34O 1px -0.017052 0.065234 0.095812 0.076589 -0.037151 -0.137385 34O 1py -0.128760 -0.178575 0.037767 -0.202542 0.035145 0.188610 34O 2pz -0.144432 -0.088885 0.234672 0.058750 0.157513 0.324137 34O 2px 0.003602 0.227321 0.405776 0.627708 0.573308 0.566285 34O 2py 0.325144 0.365097 -0.238967 0.314812 -0.231736 -0.578742 34O 3pz 0.051674 0.029019 -0.094977 -0.174486 -0.343674 -0.436325 34O 3px -0.228699 0.140705 0.680089 0.465961 0.256820 0.519232 34O 3py 0.074811 -0.235353 -0.098077 -0.061318 0.355878 0.468519 34O 1dz2 -0.002111 0.010771 0.011450 0.010682 0.006944 -0.001709 34O 1dxz -0.004347 -0.007401 0.000313 -0.005828 -0.001815 -0.000165 34O 1dyz -0.000747 0.002557 0.002110 -0.003513 -0.000066 -0.003104 34O 1dx2y2 -0.003232 -0.010393 -0.011677 -0.022369 -0.009599 0.001301 34O 1dxy 0.003733 -0.002567 -0.007517 0.001193 -0.005379 -0.007965 34O 2dz2 -0.002472 -0.019831 -0.046297 -0.037246 -0.052108 -0.037415 34O 2dxz -0.023875 0.021473 0.135548 0.067247 0.125236 0.099708 34O 2dyz -0.033597 0.016940 -0.002731 -0.098965 -0.041014 -0.035078 34O 2dx2y2 0.037409 0.148910 0.105799 0.171954 0.051829 -0.041043 34O 2dxy 0.100019 0.121859 -0.018990 0.178842 -0.086190 -0.065801 34O 1f0 -0.000974 0.016517 0.014966 0.012363 0.011243 0.002844 34O 1f+1 -0.004869 0.000872 -0.008718 -0.031579 -0.007979 0.008583 34O 1f-1 -0.001974 0.014789 0.013769 0.022956 0.005852 0.006020 34O 1f+2 0.010801 -0.022726 -0.025970 0.015681 -0.035402 -0.017796 34O 1f-2 0.013584 0.003980 -0.004259 0.043539 -0.006212 -0.006363 34O 1f+3 0.007006 0.001017 -0.014251 -0.015300 -0.014542 -0.019144 34O 1f-3 -0.003550 0.020684 0.037593 0.039325 0.008542 0.026651 35O 1s 0.017567 -0.028461 0.001644 0.000480 -0.013586 0.013124 35O 2s 0.052350 -0.092957 0.007544 0.003547 -0.050309 0.050386 35O 3s -0.137336 0.531071 -0.111434 -0.076654 0.456692 -0.425118 35O 4s -1.085724 -0.114054 0.502018 0.421124 -1.166619 0.843160 35O 5s -1.798452 3.107491 0.575430 -0.442959 0.763215 -2.988774 35O 1pz -0.101965 0.046965 -0.255009 0.087706 -0.173216 0.177528 35O 1px -0.185680 0.035694 0.082065 0.063473 -0.044222 0.142392 35O 1py -0.045510 -0.010121 -0.129697 0.035326 -0.063988 0.182995 35O 2pz 0.091675 -0.025543 0.666719 -0.193810 0.390108 -0.488714 35O 2px -0.589929 0.704536 -0.014785 0.024157 -0.130685 -0.382607 35O 2py -0.425013 0.398275 0.410878 -0.016521 0.029886 -0.489903 35O 3pz -0.083300 -0.491714 -0.001098 0.206841 -0.245016 0.793004 35O 3px -0.844978 0.647594 0.447111 0.107084 0.108340 -0.308054 35O 3py -0.317150 -0.068556 0.154700 0.129301 0.003717 0.380988 35O 1dz2 -0.015148 0.012764 -0.005636 0.006359 0.003402 -0.000145 35O 1dxz -0.004273 0.006270 0.012075 -0.002487 -0.006064 -0.004048 35O 1dyz -0.005579 0.006930 0.001447 -0.002962 -0.000139 -0.011812 35O 1dx2y2 0.014738 -0.010457 -0.003097 -0.002508 -0.002861 -0.006374 35O 1dxy 0.024143 -0.013224 -0.003453 -0.002763 0.016222 -0.007385 35O 2dz2 0.081623 -0.087145 0.013431 -0.009874 0.045670 -0.079966 35O 2dxz 0.117841 -0.097290 0.189760 -0.060950 0.055263 -0.013580 35O 2dyz -0.011172 0.006242 0.031846 -0.018775 0.047001 -0.078280 35O 2dx2y2 0.001262 0.064499 -0.122282 0.022335 0.043175 0.053867 35O 2dxy -0.183434 0.151112 0.111339 0.004179 -0.069246 -0.026118 35O 1f0 0.029127 -0.011766 -0.009503 -0.004627 0.001084 0.007919 35O 1f+1 0.041240 -0.024109 -0.026925 -0.002143 0.014978 0.021731 35O 1f-1 0.025520 -0.015249 0.008374 -0.012081 -0.014057 0.005973 35O 1f+2 -0.048497 0.019496 -0.017225 0.014614 0.001018 -0.008968 35O 1f-2 -0.016510 0.014643 0.033837 -0.008121 -0.026229 -0.007805 35O 1f+3 0.023356 -0.024247 -0.027087 0.006273 0.038374 0.001600 35O 1f-3 0.035090 -0.026970 0.010183 -0.012137 -0.016329 -0.003562 540 541 542 543 544 545 3.49646 3.50691 3.51101 3.52867 3.52985 3.54511 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s -0.001696 -0.002627 -0.000191 -0.000126 0.000011 0.000254 0Rh 2s 0.010342 0.017401 0.003368 0.001034 -0.003651 -0.001772 0Rh 3s -0.003844 -0.005121 0.000899 -0.000123 -0.002134 0.000443 0Rh 4s -0.056568 -0.095029 -0.018129 -0.005574 0.019733 0.009645 0Rh 5s 0.108708 0.188889 0.045012 0.011136 -0.057995 -0.019089 0Rh 6s -0.035129 -0.089041 -0.061903 -0.003082 0.120793 0.007754 0Rh 7s -0.263112 -0.274871 0.125615 -0.198826 -0.962173 0.100109 0Rh 8s 0.238935 0.306493 -0.003511 0.043926 0.122645 -0.039520 0Rh 1pz -0.000466 -0.005043 0.000187 -0.001477 0.001133 0.001035 0Rh 1px 0.002349 -0.000434 -0.002091 -0.004131 -0.005300 0.002109 0Rh 1py -0.003366 -0.002077 -0.003152 0.000884 -0.002473 -0.006015 0Rh 2pz 0.001819 0.019552 -0.000881 0.005766 -0.004555 -0.003980 0Rh 2px -0.008945 0.001934 0.008015 0.015656 0.019374 -0.007948 0Rh 2py 0.013207 0.008063 0.012322 -0.003343 0.009382 0.022935 0Rh 3pz -0.004971 -0.045101 0.006105 -0.014310 0.013282 0.008239 0Rh 3px 0.016694 -0.009872 -0.015529 -0.027273 -0.018177 0.012871 0Rh 3py -0.034424 -0.018673 -0.030386 0.005255 -0.016407 -0.043111 0Rh 4pz 0.010440 0.038668 -0.024114 0.017269 -0.017088 -0.002428 0Rh 4px 0.002394 0.028122 -0.002214 -0.014966 -0.090438 0.012162 0Rh 4py 0.047557 0.015326 0.032288 0.007928 -0.009830 -0.006722 0Rh 5pz -0.032886 -0.041592 0.055261 -0.032038 0.003335 -0.002661 0Rh 5px -0.021578 -0.045941 0.019735 0.072832 0.266130 -0.049603 0Rh 5py -0.079655 -0.009958 -0.045092 -0.026472 0.049145 0.069148 0Rh 6pz 0.321213 -0.372734 -0.172356 0.076061 0.588880 -0.057162 0Rh 6px 0.073603 -0.017029 0.346345 -0.035201 -0.823314 0.128597 0Rh 6py -0.092918 -0.367078 0.014036 0.106540 -0.123226 -0.107133 0Rh 1dz2 -0.012919 -0.009628 -0.007648 0.005273 -0.016850 0.059506 0Rh 1dxz -0.003869 -0.008523 -0.012027 0.004733 0.012941 0.026936 0Rh 1dyz -0.020807 0.003451 -0.015312 0.009855 0.000748 -0.029524 0Rh 1dx2y2 0.005840 0.017412 -0.011352 0.001456 0.010964 0.041187 0Rh 1dxy 0.004797 0.007955 -0.013743 0.013038 -0.002791 0.005808 0Rh 2dz2 0.004967 -0.003503 0.000570 -0.001003 -0.000397 0.008566 0Rh 2dxz 0.001576 0.003107 -0.002889 0.000367 0.001137 0.004073 0Rh 2dyz 0.010883 -0.007585 0.001694 -0.002263 0.003352 -0.005174 0Rh 2dx2y2 -0.000633 -0.002753 -0.000656 0.000104 0.001634 0.005777 0Rh 2dxy 0.006261 -0.003647 0.000353 0.000813 0.000828 0.001272 0Rh 3dz2 0.020878 0.049314 0.023785 -0.013471 0.059790 -0.245047 0Rh 3dxz 0.006120 0.014939 0.054473 -0.018186 -0.050022 -0.111916 0Rh 3dyz 0.020308 0.023629 0.044754 -0.023597 -0.018013 0.125667 0Rh 3dx2y2 -0.017109 -0.046829 0.041909 -0.005616 -0.045035 -0.168858 0Rh 3dxy -0.045426 -0.010467 0.045412 -0.048521 0.005866 -0.025951 0Rh 4dz2 0.048789 -0.078549 -0.014257 -0.002353 -0.049361 0.282971 0Rh 4dxz 0.012525 0.026297 -0.070849 0.020574 0.052944 0.130885 0Rh 4dyz 0.120691 -0.112758 -0.016460 -0.005601 0.049476 -0.150004 0Rh 4dx2y2 0.004205 -0.001625 -0.037501 0.007628 0.049031 0.192641 0Rh 4dxy 0.106604 -0.034940 -0.027600 0.043511 0.003548 0.034805 0Rh 5dz2 -0.335368 0.132723 0.013279 0.073008 -0.043057 -0.133054 0Rh 5dxz -0.083249 -0.219592 0.050756 -0.031290 -0.035723 -0.057186 0Rh 5dyz -0.618793 0.441182 -0.030696 0.076184 -0.062287 0.027028 0Rh 5dx2y2 0.095604 0.267539 -0.028909 -0.036601 0.043499 -0.067303 0Rh 5dxy -0.249521 0.195480 -0.083194 0.034799 -0.003535 -0.057712 0Rh 1f0 -0.009099 -0.020716 0.000080 0.004333 -0.001183 0.006606 0Rh 1f+1 0.023214 0.004296 0.002185 -0.005967 0.006649 0.001716 0Rh 1f-1 0.010654 0.007601 -0.006377 0.003824 0.004562 0.010414 0Rh 1f+2 0.002930 0.025323 -0.002271 0.000442 -0.016092 0.006759 0Rh 1f-2 0.019172 -0.008584 0.002472 -0.005014 0.007935 0.013117 0Rh 1f+3 0.022182 0.034089 -0.004822 -0.002781 -0.001571 -0.014131 0Rh 1f-3 0.006438 0.013340 -0.004524 0.004827 -0.008339 0.005821 1Rh 1s 0.001685 0.002610 0.000175 0.000088 -0.000126 0.000270 1Rh 2s -0.010245 -0.017283 -0.003492 -0.002873 -0.001891 -0.001878 1Rh 3s 0.003835 0.005091 -0.001071 -0.001210 -0.001885 0.000475 1Rh 4s 0.056042 0.094384 0.018786 0.015506 0.010207 0.010224 1Rh 5s -0.107565 -0.187579 -0.047430 -0.042026 -0.035204 -0.020256 1Rh 6s 0.034168 0.088307 0.068411 0.073625 0.092421 0.008371 1Rh 7s 0.262076 0.269765 -0.181177 -0.413897 -0.894796 0.102295 1Rh 8s -0.237878 -0.304650 0.006662 0.041483 0.133585 -0.041208 1Rh 1pz -0.000210 -0.004795 0.000344 -0.001902 -0.000016 -0.001070 1Rh 1px 0.002458 -0.000283 -0.001576 -0.000163 0.006721 -0.002112 1Rh 1py -0.003352 -0.002206 -0.003082 0.002095 0.001621 0.005989 1Rh 2pz 0.000857 0.018610 -0.001471 0.007502 0.000178 0.004116 1Rh 2px -0.009357 0.001361 0.006103 0.001045 -0.024903 0.007963 1Rh 2py 0.013148 0.008553 0.012060 -0.007949 -0.006171 -0.022830 1Rh 3pz -0.003487 -0.043372 0.007073 -0.019800 -0.002276 -0.008565 1Rh 3px 0.017356 -0.008922 -0.013059 -0.011141 0.030889 -0.012964 1Rh 3py -0.034272 -0.019579 -0.029948 0.013591 0.011455 0.042845 1Rh 4pz 0.012183 0.039035 -0.023560 0.024546 0.004550 0.002820 1Rh 4px 0.003024 0.028821 0.003487 0.042066 0.081630 -0.011842 1Rh 4py 0.047382 0.015124 0.032661 0.011180 0.002183 0.007059 1Rh 5pz -0.038641 -0.044263 0.054187 -0.028538 0.014172 0.001971 1Rh 5px -0.023839 -0.048686 0.001655 -0.100540 -0.257860 0.048870 1Rh 5py -0.079539 -0.008528 -0.046729 -0.047667 -0.022701 -0.069739 1Rh 6pz 0.312753 -0.375309 -0.203570 -0.293177 -0.526612 0.051957 1Rh 6px 0.072365 -0.015118 0.391258 0.460852 0.686247 -0.124245 1Rh 6py -0.091238 -0.362556 0.016394 0.161095 0.030243 0.107699 1Rh 1dz2 0.011865 0.009739 0.005306 -0.013317 -0.011474 0.059632 1Rh 1dxz 0.004077 0.008737 0.011882 0.003999 0.012537 0.027144 1Rh 1dyz 0.021509 -0.003570 0.016073 -0.007980 0.006104 -0.028930 1Rh 1dx2y2 -0.006172 -0.017177 0.010955 0.006131 0.009389 0.041271 1Rh 1dxy -0.004843 -0.008223 0.013720 -0.012510 0.004999 0.005810 1Rh 2dz2 -0.005308 0.003661 -0.000644 0.000621 -0.000935 0.008349 1Rh 2dxz -0.001495 -0.003076 0.002854 0.000421 0.001073 0.004081 1Rh 2dyz -0.011176 0.007934 -0.001053 0.003484 0.001516 -0.005663 1Rh 2dx2y2 0.000536 0.002847 0.000630 0.000932 0.001279 0.005733 1Rh 2dxy -0.006433 0.003724 -0.000153 -0.000324 0.001139 0.001051 1Rh 3dz2 -0.015706 -0.050418 -0.015405 0.042900 0.043812 -0.244466 1Rh 3dxz -0.007203 -0.015815 -0.053821 -0.015679 -0.048413 -0.112668 1Rh 3dyz -0.021358 -0.024827 -0.050308 0.011496 -0.028050 0.125892 1Rh 3dx2y2 0.018686 0.045594 -0.040416 -0.025159 -0.038093 -0.168935 1Rh 3dxy 0.046371 0.011032 -0.046239 0.044508 -0.022344 -0.024931 1Rh 4dz2 -0.056306 0.081024 0.007074 -0.024173 -0.044233 0.279910 1Rh 4dxz -0.010775 -0.025294 0.070104 0.015790 0.052235 0.131503 1Rh 4dyz -0.123121 0.117367 0.027384 0.028071 0.037745 -0.156080 1Rh 4dx2y2 -0.006378 0.003510 0.035967 0.025706 0.041697 0.192148 1Rh 4dxy -0.109154 0.035284 0.030232 -0.036068 0.027342 0.031395 1Rh 5dz2 0.341189 -0.134506 -0.013839 -0.085889 0.008058 -0.122228 1Rh 5dxz 0.079845 0.218518 -0.052329 0.002957 -0.049020 -0.055884 1Rh 5dyz 0.624976 -0.446962 0.022427 -0.095493 -0.005904 0.053309 1Rh 5dx2y2 -0.094863 -0.268557 0.031567 0.055504 0.018238 -0.064797 1Rh 5dxy 0.253024 -0.195620 0.081391 -0.028506 0.016937 -0.047164 1Rh 1f0 -0.009632 -0.019813 0.000841 0.004303 -0.001239 -0.007023 1Rh 1f+1 0.024025 0.003185 0.000661 -0.008497 -0.002612 -0.001265 1Rh 1f-1 0.009352 0.007857 -0.006376 0.000303 -0.006062 -0.010767 1Rh 1f+2 0.003178 0.026688 -0.000396 0.009439 0.012482 -0.006963 1Rh 1f-2 0.020871 -0.009482 0.000609 -0.007495 -0.004041 -0.012092 1Rh 1f+3 0.021387 0.033957 -0.005112 -0.001847 0.002391 0.014167 1Rh 1f-3 0.005517 0.014268 -0.003161 0.008336 0.003708 -0.006180 2C 1s 0.010386 -0.001048 -0.004584 -0.000118 0.005024 -0.000889 2C 2s 0.027980 -0.004600 -0.014752 0.000071 0.015909 -0.002177 2C 3s 0.152313 0.131533 0.121301 -0.037465 -0.189489 -0.015348 2C 4s -1.153819 -0.347680 -0.201285 0.364525 0.855580 0.148219 2C 5s 0.875220 1.919275 0.468015 0.685384 -0.312421 -0.150125 2C 1pz 0.026261 0.028801 0.027979 -0.004845 -0.035345 0.020570 2C 1px 0.009457 0.065058 0.164364 -0.058427 -0.110097 0.041567 2C 1py 0.019617 -0.007314 -0.069123 0.034106 0.011035 -0.044415 2C 2pz 0.152424 -0.194801 -0.421935 0.213263 0.868051 0.038888 2C 2px -0.685301 -0.202120 -0.125928 0.029631 -0.058078 -0.070747 2C 2py 0.142432 -0.026200 0.103063 0.107770 0.508830 0.030970 2C 3pz 0.040284 0.355890 0.225817 0.159390 -0.140430 -0.010831 2C 3px -0.026356 0.124565 -0.067332 0.078896 -0.044531 -0.019932 2C 3py -0.075370 0.320683 0.068808 0.043120 -0.077778 0.030441 2C 1dz2 0.036797 -0.043686 -0.211329 0.054252 0.119911 -0.043438 2C 1dxz 0.176468 -0.050842 -0.400757 0.156399 0.292131 -0.086681 2C 1dyz 0.083993 0.047401 0.153881 -0.039772 -0.076334 0.018884 2C 1dx2y2 -0.102139 0.032836 0.073841 -0.030132 -0.089271 -0.008413 2C 1dxy 0.044236 0.066947 0.037605 -0.038157 -0.012242 0.094344 2C 2dz2 0.091721 -0.017026 0.069810 0.010226 0.106417 -0.002989 2C 2dxz -0.314825 0.028270 0.335700 -0.014058 -0.154532 -0.022308 2C 2dyz -0.031579 -0.103837 -0.093873 0.006375 0.300409 0.045982 2C 2dx2y2 -0.083877 -0.100708 -0.193323 0.019518 -0.047861 -0.053298 2C 2dxy -0.278664 -0.209792 -0.321850 0.113437 0.132972 -0.126600 2C 1f0 0.066061 0.063625 0.054971 -0.024937 -0.017237 0.051356 2C 1f+1 0.146467 -0.037183 -0.154724 0.061135 0.221732 0.035121 2C 1f-1 -0.208077 0.019204 0.203550 -0.053488 -0.129039 -0.023704 2C 1f+2 -0.080892 -0.014258 -0.009437 0.019905 -0.050800 -0.140868 2C 1f-2 -0.168067 -0.078232 -0.079974 0.068087 0.040662 -0.117104 2C 1f+3 0.038727 -0.011553 0.070408 -0.036964 0.008752 0.046860 2C 1f-3 0.001551 -0.023166 -0.228098 0.134902 0.138731 -0.216383 3C 1s -0.001836 0.010828 -0.001771 -0.003483 0.005662 0.001485 3C 2s -0.003944 0.029422 -0.003675 -0.010870 0.018720 0.003112 3C 3s -0.118995 0.084823 -0.108819 0.060171 -0.256645 0.078536 3C 4s 0.528590 -1.035589 0.472064 0.141257 0.932931 -0.577842 3C 5s -1.072583 0.101012 -1.417868 0.437647 -1.502534 0.321215 3C 1pz -0.028602 -0.001883 -0.036083 -0.118612 0.128527 0.063051 3C 1px -0.029113 0.019542 -0.024443 0.058810 -0.109459 -0.008225 3C 1py 0.014201 0.004921 0.001947 -0.049355 0.096527 0.020174 3C 2pz 0.071020 0.457626 -0.052524 0.245069 0.390901 -0.234041 3C 2px 0.266426 -0.377729 0.219204 -0.003235 0.219037 0.048488 3C 2py -0.025374 -0.071907 -0.093388 0.097800 -0.943055 0.232206 3C 3pz -0.233620 -0.159787 -0.078573 0.123448 -0.260759 -0.036517 3C 3px 0.015581 -0.061533 -0.044440 -0.021087 -0.107492 0.015583 3C 3py 0.149896 0.120113 0.296059 -0.173472 0.397689 -0.032641 3C 1dz2 0.068512 -0.002432 -0.017233 0.075877 -0.101719 0.045358 3C 1dxz 0.057113 0.112235 0.018944 -0.049479 0.124468 -0.041793 3C 1dyz -0.008472 0.012407 -0.019232 -0.217478 0.308023 0.048775 3C 1dx2y2 0.084302 -0.063177 0.077285 0.268689 -0.355951 -0.109892 3C 1dxy 0.009247 -0.145807 0.062425 0.120676 -0.202050 -0.022631 3C 2dz2 -0.046418 0.187834 -0.001383 0.202903 -0.232838 -0.152319 3C 2dxz -0.096179 -0.170714 -0.019030 0.067646 0.021062 0.022237 3C 2dyz -0.059016 -0.225761 -0.070669 0.151006 -0.535516 0.114856 3C 2dx2y2 0.000455 -0.115558 0.022565 -0.381873 0.235538 0.143846 3C 2dxy -0.129252 0.285163 -0.137485 -0.135370 0.022746 -0.020512 3C 1f0 -0.036113 0.143842 -0.044972 -0.145793 0.171514 -0.055157 3C 1f+1 -0.024850 -0.140481 -0.070106 -0.177473 0.216777 0.260491 3C 1f-1 -0.002608 -0.080244 -0.003505 -0.051357 0.059311 0.065075 3C 1f+2 -0.051683 0.150891 -0.048848 -0.104713 0.166972 -0.007515 3C 1f-2 -0.003130 -0.086448 -0.028434 -0.018437 -0.092770 0.185768 3C 1f+3 -0.027864 -0.127336 -0.025793 -0.086342 0.183745 0.136718 3C 1f-3 -0.017789 -0.263905 0.001871 -0.048461 -0.035624 0.165768 4C 1s 0.000489 -0.000323 0.003457 -0.001500 0.001458 -0.000814 4C 2s 0.002260 0.001268 0.011423 -0.003866 0.001932 -0.002281 4C 3s -0.484524 -0.265653 -0.024776 -0.154907 -0.107829 0.060007 4C 4s 2.285844 1.324368 -0.529995 1.035190 0.550731 -0.338735 4C 5s 0.894358 -0.613117 -0.865647 0.457783 0.965538 -0.261601 4C 1pz -0.086278 0.005008 0.053178 -0.019671 -0.083542 -0.050282 4C 1px 0.140951 0.064722 0.008987 -0.023037 -0.010298 0.024434 4C 1py 0.006478 0.044845 0.116438 -0.042742 -0.081653 0.062099 4C 2pz 0.775144 0.086320 -0.372924 0.347798 1.109602 0.262775 4C 2px -1.526510 -0.451201 -0.148299 0.268048 -0.059830 -0.185755 4C 2py -0.100170 -0.152888 -0.509978 0.410891 0.670601 -0.338019 4C 3pz 0.661320 1.692707 0.067477 0.816501 -0.073452 -0.163383 4C 3px 0.372711 -0.121130 -0.046081 0.094838 0.247481 -0.115180 4C 3py 0.689596 0.876784 0.350253 0.566826 -0.066966 -0.094726 4C 1dz2 -0.031233 0.052437 0.165078 -0.048569 -0.025116 0.095464 4C 1dxz 0.110756 0.006631 0.153320 -0.064152 -0.004064 0.052248 4C 1dyz -0.053980 -0.047132 -0.145771 0.060363 0.081255 -0.050904 4C 1dx2y2 0.119838 0.010549 -0.012114 -0.039324 0.033528 0.055693 4C 1dxy 0.113980 -0.047036 -0.102783 0.007352 0.087482 0.000522 4C 2dz2 0.384273 -0.003225 -0.008211 -0.304900 -0.333414 0.137927 4C 2dxz -1.605040 -0.518538 -0.378751 0.101355 -0.378849 -0.282638 4C 2dyz 0.251812 0.117658 0.192963 -0.135797 -0.377220 -0.030817 4C 2dx2y2 0.263273 0.250435 -0.148722 0.409828 0.412718 -0.052150 4C 2dxy -0.720541 -0.053182 -0.183834 0.298349 0.003074 -0.164770 4C 1f0 -0.101283 0.032218 0.169320 -0.085581 -0.122988 0.064681 4C 1f+1 -0.088826 -0.028882 0.159731 -0.047174 -0.104744 -0.117618 4C 1f-1 0.074329 0.036923 0.054282 -0.036204 -0.016112 0.065564 4C 1f+2 0.411624 0.087966 0.064952 -0.036332 0.119847 0.154613 4C 1f-2 -0.275391 -0.086568 -0.036589 0.026783 0.013033 0.120593 4C 1f+3 0.307720 -0.008784 -0.164932 0.048617 0.152005 -0.139462 4C 1f-3 0.111722 -0.016764 0.071036 -0.141350 -0.019092 0.227461 5C 1s 0.000397 0.001768 0.000853 0.003325 -0.000410 0.000939 5C 2s -0.000477 0.004802 0.000953 0.010716 -0.004169 0.002545 5C 3s 0.242770 -0.271611 0.292628 -0.066214 0.072943 -0.059418 5C 4s -1.217977 1.140938 -1.564359 -0.291080 0.073955 0.335307 5C 5s 0.131452 0.645536 -0.234625 -0.837829 0.711606 0.207181 5C 1pz 0.005968 -0.079871 0.012045 0.072040 -0.107728 -0.024406 5C 1px 0.028567 0.190344 0.004693 0.054372 -0.074742 -0.094664 5C 1py 0.030860 0.051564 0.016367 -0.020243 0.080590 -0.083069 5C 2pz -0.096563 0.660033 -0.234322 -0.142650 0.723589 -0.006133 5C 2px 0.078463 -1.598815 0.190280 -0.277626 0.502424 0.565189 5C 2py -0.068490 -0.415790 0.051436 -0.008550 -1.014606 0.630132 5C 3pz -0.142450 0.079001 -0.776748 0.222582 -0.970321 0.078681 5C 3px -0.809977 -0.013826 -0.615901 0.128521 -0.391958 0.127032 5C 3py 0.965363 0.114473 1.187297 -0.049803 1.295608 -0.246183 5C 1dz2 -0.027437 -0.154236 -0.028441 -0.032839 -0.042694 0.091156 5C 1dxz -0.070387 -0.051088 -0.037542 -0.005068 -0.013150 0.040315 5C 1dyz -0.003328 0.077247 -0.007929 0.136749 -0.197282 -0.040969 5C 1dx2y2 -0.085728 0.045995 -0.069077 -0.171129 0.179544 0.084970 5C 1dxy 0.051617 -0.065789 0.024042 -0.038462 -0.017333 0.031697 5C 2dz2 0.134184 0.584248 0.081702 0.177453 -0.077134 -0.114692 5C 2dxz 0.308485 -0.617146 0.354381 -0.230377 -0.036142 0.278925 5C 2dyz 0.196125 -0.824264 0.292767 -0.196780 0.542740 0.097020 5C 2dx2y2 -0.021738 -0.439380 -0.113492 0.140364 0.309662 0.104392 5C 2dxy -0.286677 1.266778 -0.312795 0.409344 -0.008875 -0.598742 5C 1f0 0.098578 -0.256574 0.108921 0.062851 -0.135581 0.023221 5C 1f+1 -0.005987 0.085543 0.080025 0.029142 -0.021317 -0.312118 5C 1f-1 0.047201 -0.164822 0.095963 0.111466 -0.111579 -0.154347 5C 1f+2 -0.113944 0.199000 -0.135336 -0.075706 0.109867 0.219892 5C 1f-2 -0.025107 0.463797 -0.074484 0.121951 -0.058460 -0.239105 5C 1f+3 0.016104 0.074799 0.015102 0.104140 -0.101454 -0.039454 5C 1f-3 -0.068317 -0.081229 -0.015826 -0.107211 0.190656 -0.118885 6C 1s -0.000347 -0.001719 -0.000867 -0.002846 0.001709 0.000905 6C 2s 0.000677 -0.004728 -0.001146 -0.010873 0.003090 0.002445 6C 3s -0.262342 0.281522 -0.277067 0.085241 0.032492 -0.059232 6C 4s 1.292122 -1.182462 1.506736 0.321057 -0.182973 0.336087 6C 5s -0.096522 -0.678953 0.211503 1.133008 0.064697 0.213011 6C 1pz 0.005174 -0.074874 0.017224 0.122361 0.044927 0.026145 6C 1px 0.025061 0.186599 0.005989 0.086222 0.026033 0.092045 6C 1py 0.029778 0.053069 0.009499 -0.065275 -0.055021 0.081480 6C 2pz -0.106165 0.639133 -0.273354 -0.552252 -0.496268 -0.006517 6C 2px 0.102052 -1.574128 0.179700 -0.509502 -0.229445 -0.537581 6C 2py -0.052132 -0.425323 0.122523 0.603942 0.827237 -0.618643 6C 3pz -0.223669 0.159715 -0.653658 0.703372 0.698015 -0.068914 6C 3px -0.860496 0.037243 -0.549332 0.305134 0.277628 -0.136468 6C 3py 1.106714 -0.007210 0.990064 -0.725417 -1.094420 0.241855 6C 1dz2 0.028109 0.153649 0.021421 0.002461 -0.056697 0.091514 6C 1dxz 0.071448 0.049759 0.034294 -0.001587 -0.015255 0.043174 6C 1dyz 0.009532 -0.083773 -0.002895 -0.224077 -0.078590 -0.041321 6C 1dx2y2 0.078186 -0.037210 0.077506 0.241298 0.042925 0.088014 6C 1dxy -0.053487 0.067737 -0.025604 0.019753 -0.036817 0.028800 6C 2dz2 -0.139719 -0.565236 -0.071942 -0.194789 0.052813 -0.108056 6C 2dxz -0.340472 0.626369 -0.356625 0.146483 -0.157360 0.259485 6C 2dyz -0.220321 0.827697 -0.255891 0.469161 0.328472 0.086791 6C 2dx2y2 0.045997 0.407085 0.116141 0.084517 0.314891 0.087129 6C 2dxy 0.319051 -1.260553 0.327841 -0.321534 0.237227 -0.569082 6C 1f0 0.100278 -0.247435 0.116583 0.133275 0.070596 -0.017622 6C 1f+1 -0.004719 0.085304 0.070986 0.035971 -0.007934 0.305771 6C 1f-1 0.044968 -0.150192 0.098482 0.154057 0.021149 0.157832 6C 1f+2 -0.114780 0.188340 -0.134384 -0.128086 -0.038574 -0.220495 6C 1f-2 -0.037056 0.462129 -0.076733 0.126185 -0.027089 0.230768 6C 1f+3 0.014668 0.075166 0.017105 0.142627 0.018554 0.037079 6C 1f-3 -0.068760 -0.073610 -0.027102 -0.198963 -0.090337 0.118476 7C 1s -0.000455 0.000364 -0.003300 0.002097 0.000469 -0.000812 7C 2s -0.002255 -0.001100 -0.010957 0.004315 -0.000122 -0.002334 7C 3s 0.498651 0.246082 -0.008903 0.072139 -0.189408 0.068192 7C 4s -2.338646 -1.244499 0.667680 -0.568898 1.069060 -0.371872 7C 5s -0.915814 0.657408 0.956348 0.153227 1.036547 -0.265012 7C 1pz -0.086994 0.006523 0.057744 0.034027 0.078395 0.047714 7C 1px 0.134314 0.063768 0.008281 -0.011502 0.019671 -0.019771 7C 1py 0.010003 0.043690 0.119158 0.011476 0.086613 -0.060625 7C 2pz 0.786711 0.065101 -0.451481 -0.375452 -1.099342 -0.240172 7C 2px -1.496743 -0.436510 -0.130276 0.243479 -0.080563 0.141843 7C 2py -0.108085 -0.157563 -0.558412 -0.055579 -0.769678 0.329603 7C 3pz 0.804368 1.565189 -0.104407 0.795454 -0.465934 0.185451 7C 3px 0.400324 -0.150119 -0.090437 -0.051875 -0.259152 0.128233 7C 3py 0.797724 0.796890 0.234715 0.555713 -0.321648 0.113380 7C 1dz2 0.022857 -0.048933 -0.164134 0.028244 -0.041950 0.096571 7C 1dxz -0.120324 -0.001661 -0.147149 0.050783 -0.031761 0.047706 7C 1dyz 0.059516 0.043541 0.144736 -0.001606 0.093146 -0.049472 7C 1dx2y2 -0.116253 -0.012532 0.006059 0.055258 0.001869 0.056321 7C 1dxy -0.108491 0.044611 0.101223 0.046113 0.069837 -0.000919 7C 2dz2 -0.360355 -0.010045 -0.027714 0.049308 -0.447338 0.118449 7C 2dxz 1.621062 0.481174 0.309267 -0.298429 -0.290450 -0.230980 7C 2dyz -0.253065 -0.111983 -0.207784 -0.119998 -0.376144 -0.032365 7C 2dx2y2 -0.300928 -0.221463 0.220272 -0.101243 0.586389 -0.062232 7C 2dxy 0.702030 0.058414 0.194245 -0.244462 0.165634 -0.137791 7C 1f0 -0.098788 0.032695 0.173963 -0.000521 0.143137 -0.064517 7C 1f+1 -0.087481 -0.029760 0.160748 0.023443 0.105275 0.114653 7C 1f-1 0.075452 0.036894 0.056236 -0.021990 0.031487 -0.061137 7C 1f+2 0.421580 0.077534 0.047895 -0.101771 -0.086018 -0.143245 7C 1f-2 -0.260048 -0.081772 -0.029055 0.008893 -0.020158 -0.127192 7C 1f+3 0.288278 -0.011422 -0.175056 -0.042686 -0.147721 0.143753 7C 1f-3 0.111045 -0.013533 0.078871 -0.107823 0.095604 -0.217587 8C 1s 0.001930 -0.010574 0.001914 0.006179 0.002512 0.001480 8C 2s 0.004134 -0.028700 0.004292 0.019881 0.008757 0.003124 8C 3s 0.123274 -0.086094 0.092171 -0.199358 -0.176334 0.077573 8C 4s -0.534612 1.011164 -0.398132 0.442474 0.850609 -0.570862 8C 5s 1.202803 -0.200889 1.226707 -1.174942 -1.037138 0.309103 8C 1pz -0.025569 -0.005817 -0.040601 -0.170216 -0.032047 -0.063492 8C 1px -0.030904 0.019881 -0.018858 0.114462 0.055378 0.006975 8C 1py 0.016362 0.001256 -0.002255 -0.094782 -0.048591 -0.020545 8C 2pz 0.053114 0.465615 -0.077368 -0.041680 -0.458711 0.231038 8C 2px 0.276575 -0.380173 0.205698 -0.126994 -0.176973 -0.038378 8C 2py -0.026284 -0.061311 -0.029760 0.637841 0.712649 -0.225613 8C 3pz -0.253915 -0.143426 -0.052817 0.245038 0.145783 0.035681 8C 3px 0.006806 -0.052611 -0.029638 0.040051 0.102822 -0.012862 8C 3py 0.174846 0.094905 0.255103 -0.362595 -0.236501 0.030150 8C 1dz2 -0.069004 -0.000643 0.010914 -0.118141 -0.037395 0.043917 8C 1dxz -0.055268 -0.112720 -0.012733 0.116225 0.074141 -0.044714 8C 1dyz 0.003365 -0.004653 0.031634 0.356052 0.119686 0.049188 8C 1dx2y2 -0.077915 0.053387 -0.089836 -0.421814 -0.124624 -0.110791 8C 1dxy -0.009658 0.141174 -0.072234 -0.221735 -0.092197 -0.024705 8C 2dz2 0.061682 -0.196880 -0.009099 -0.297894 -0.068926 -0.150840 8C 2dxz 0.098248 0.167332 0.020742 -0.040214 0.053390 0.021849 8C 2dyz 0.066983 0.209670 0.035892 -0.432317 -0.349383 0.111747 8C 2dx2y2 -0.015639 0.125112 -0.017408 0.436181 -0.037201 0.139796 8C 2dxy 0.129706 -0.278287 0.137161 0.127080 -0.061581 -0.012461 8C 1f0 -0.036151 0.136859 -0.053496 -0.221939 -0.052466 0.048841 8C 1f+1 -0.021380 -0.136939 -0.074379 -0.269745 -0.065257 -0.258392 8C 1f-1 -0.002023 -0.080017 -0.004842 -0.077455 -0.016238 -0.067293 8C 1f+2 -0.051949 0.151231 -0.054815 -0.182656 -0.072688 0.012186 8C 1f-2 -0.002720 -0.080779 -0.018720 0.043305 0.088880 -0.180868 8C 1f+3 -0.024205 -0.123188 -0.032291 -0.176670 -0.095056 -0.131717 8C 1f-3 -0.012400 -0.260455 0.006447 -0.018094 0.059688 -0.165164 9C 1s -0.010062 0.001178 0.004747 0.002953 0.003844 -0.000926 9C 2s -0.027038 0.004903 0.015215 0.009064 0.012401 -0.002266 9C 3s -0.154481 -0.128505 -0.125249 -0.083618 -0.168633 -0.017432 9C 4s 1.121734 0.344268 0.255638 0.223426 0.897825 0.151427 9C 5s -1.001677 -1.807608 -0.323757 -0.814082 0.203042 -0.168167 9C 1pz 0.030235 0.026884 0.026261 0.015989 0.027964 -0.020096 9C 1px 0.014501 0.063766 0.166392 0.016539 0.116248 -0.038721 9C 1py 0.014966 -0.005073 -0.065454 0.023895 -0.023060 0.044236 9C 2pz 0.147532 -0.195995 -0.470451 -0.341424 -0.817596 -0.032749 9C 2px -0.699353 -0.187948 -0.104118 0.053560 0.048577 0.052042 9C 2py 0.147765 -0.043303 0.063481 -0.221367 -0.479756 -0.030764 9C 3pz 0.072664 0.332729 0.198406 0.224958 0.005466 0.015172 9C 3px -0.024758 0.122608 -0.068865 0.093069 -0.007853 0.017800 9C 3py -0.050818 0.306148 0.046815 0.091133 0.028123 -0.027035 9C 1dz2 -0.025935 0.040683 0.205130 0.023239 0.112985 -0.041163 9C 1dxz -0.160431 0.050370 0.409760 0.040459 0.311724 -0.085556 9C 1dyz -0.090883 -0.043289 -0.145757 -0.011434 -0.072426 0.014617 9C 1dx2y2 0.104604 -0.033620 -0.078292 -0.030068 -0.089086 -0.012610 9C 1dxy -0.050112 -0.064963 -0.035306 0.026154 -0.026624 0.092074 9C 2dz2 -0.092371 0.018891 -0.050893 0.055441 0.101833 -0.010343 9C 2dxz 0.291645 -0.022329 -0.327035 -0.076158 -0.117667 -0.016974 9C 2dyz 0.040810 0.100668 0.094937 0.178474 0.237976 0.048699 9C 2dx2y2 0.092602 0.090096 0.172106 -0.043440 -0.040882 -0.045612 9C 2dxy 0.299004 0.197294 0.309186 -0.016897 0.149554 -0.114972 9C 1f0 0.066907 0.061153 0.052029 -0.010020 0.024662 -0.047028 9C 1f+1 0.144590 -0.039827 -0.163366 -0.081291 -0.208926 -0.037458 9C 1f-1 -0.201895 0.022320 0.208377 0.028779 0.129276 0.020740 9C 1f+2 -0.072782 -0.012596 -0.007468 0.046472 0.030537 0.133087 9C 1f-2 -0.165047 -0.076794 -0.085352 0.033699 -0.070902 0.116831 9C 1f+3 0.041609 -0.012629 0.073272 -0.038510 0.013364 -0.054121 9C 1f-3 0.005344 -0.021250 -0.233554 0.030632 -0.182116 0.208670 10H 1s -0.074682 0.046520 0.226021 -0.065910 -0.142973 0.008941 10H 2s 0.683103 0.023595 -0.287061 0.150954 0.452366 -0.064181 10H 3s -0.270605 -0.117792 0.152997 -0.092135 -0.130740 0.057041 10H 1pz 0.311047 -0.021056 -0.209383 0.073454 0.253609 0.010262 10H 1px -0.230491 0.018843 0.219616 -0.082210 -0.194084 0.050773 10H 1py 0.059059 0.012654 -0.029883 0.040786 0.053512 -0.078042 11H 1s 0.064189 -0.065919 -0.242322 0.071195 0.153952 -0.052860 11H 2s 0.116197 -0.049555 -0.051913 -0.128345 -0.038856 0.066052 11H 3s -0.086537 -0.122924 -0.074295 0.042684 0.018567 -0.029685 11H 1pz -0.087574 0.023924 0.136068 -0.068146 -0.164718 -0.020587 11H 1px 0.155088 0.020283 0.043289 -0.083543 -0.004854 0.133774 11H 1py -0.073773 -0.017741 -0.043418 0.028586 -0.001871 -0.004595 12H 1s 0.054837 0.032796 0.064385 -0.031866 -0.012722 0.031452 12H 2s 0.300982 0.029352 0.120042 -0.043805 0.012867 -0.071083 12H 3s -0.172220 -0.083388 -0.037286 -0.063269 -0.011794 0.063989 12H 1pz -0.079717 0.044169 0.132134 -0.040894 -0.084647 0.033891 12H 1px 0.071326 -0.056534 -0.218173 0.087944 0.131975 -0.150576 12H 1py 0.132597 0.048000 0.147167 -0.055281 -0.057078 0.006808 13H 1s -0.019178 -0.076237 -0.000990 0.155319 -0.224619 0.013085 13H 2s -0.218703 0.502748 -0.210527 -0.125863 0.383863 0.049218 13H 3s 0.082196 -0.211641 0.156733 0.090046 -0.113206 -0.075037 13H 1pz -0.059429 0.104996 -0.073506 -0.082416 0.174185 0.110229 13H 1px 0.031490 -0.210251 0.042433 0.143288 -0.235643 0.011866 13H 1py 0.071095 -0.228505 0.067505 0.092092 -0.218973 0.051215 14H 1s 0.050523 0.063677 0.018969 0.089957 -0.082245 -0.035119 14H 2s -0.025556 0.371445 -0.067449 0.059281 -0.026693 0.080336 14H 3s 0.066025 -0.140381 0.148844 -0.009446 0.029110 -0.088180 14H 1pz -0.014966 0.127891 0.001266 0.181184 -0.229592 -0.104887 14H 1px -0.043497 0.141176 -0.083730 -0.127617 0.170193 0.152575 14H 1py -0.039006 0.043063 -0.028531 -0.041942 0.062013 -0.009745 15H 1s -0.011751 0.083716 -0.040485 -0.206211 0.292440 0.054432 15H 2s -0.107697 0.165598 0.056327 -0.045452 -0.002873 -0.020120 15H 3s 0.108672 -0.054788 0.030513 -0.067529 0.117965 0.011160 15H 1pz 0.006108 -0.156751 -0.021553 -0.045153 0.021717 0.076995 15H 1px 0.019947 0.157272 0.033175 0.031290 -0.011550 -0.147050 15H 1py 0.043652 0.053825 -0.017086 -0.103873 0.209365 -0.037499 16H 1s 0.018708 -0.053131 -0.017946 -0.003156 0.006787 -0.008181 16H 2s 0.113813 -0.039368 0.063785 0.005499 -0.108097 0.055535 16H 3s -0.059387 -0.032207 -0.035893 -0.019987 0.030975 0.008369 16H 1pz 0.065997 -0.062474 0.019934 0.004204 -0.034594 0.013878 16H 1px -0.012613 -0.014112 -0.008265 0.014911 -0.003123 -0.004398 16H 1py 0.031024 -0.025585 0.001045 -0.010614 0.004149 -0.002039 17H 1s -0.036601 -0.002018 -0.010973 0.024779 -0.024453 -0.012690 17H 2s -0.055730 0.010290 0.051178 0.120135 -0.111198 0.051359 17H 3s 0.000539 -0.017535 -0.025743 -0.020708 0.023381 0.008340 17H 1pz 0.024631 0.009168 0.003870 -0.044526 0.040387 -0.008939 17H 1px 0.031088 -0.027244 0.004663 -0.036149 0.034683 -0.012395 17H 1py -0.044761 0.011204 -0.002434 0.036709 -0.024126 -0.001693 18H 1s 0.037133 0.002228 0.009353 -0.033987 -0.005965 -0.011271 18H 2s 0.061177 -0.006845 -0.061304 -0.161315 -0.022489 0.056498 18H 3s -0.005355 0.017662 0.029512 0.027553 0.006055 0.007117 18H 1pz 0.026609 0.010018 -0.000048 -0.060133 -0.008473 0.010772 18H 1px 0.032678 -0.027239 0.001280 -0.049122 -0.008026 0.014843 18H 1py -0.046442 0.011386 -0.000156 0.041310 -0.001357 -0.000563 19H 1s -0.018573 0.053374 0.018296 0.006452 0.002990 -0.008525 19H 2s -0.117036 0.044442 -0.069701 -0.071663 -0.087559 0.046603 19H 3s 0.063402 0.029607 0.035771 0.035729 0.011925 0.010603 19H 1pz 0.067045 -0.065228 0.020970 0.025110 0.026307 -0.009780 19H 1px -0.012637 -0.014104 -0.007959 0.013626 -0.006032 0.003573 19H 1py 0.032582 -0.027095 0.000626 -0.009478 0.004169 0.003496 20H 1s 0.005249 -0.073831 0.054147 0.334806 0.113441 0.054995 20H 2s 0.105286 -0.154206 -0.052530 0.031050 -0.023404 -0.019626 20H 3s -0.118668 0.058141 -0.019282 0.120826 0.057644 0.012223 20H 1pz 0.009794 -0.155542 -0.019687 -0.048685 0.011576 -0.075949 20H 1px 0.017936 0.154380 0.030037 0.029645 -0.013701 0.145465 20H 1py 0.044289 0.053877 -0.026579 -0.208330 -0.107180 0.036870 21H 1s -0.047260 -0.066142 -0.021613 -0.116374 -0.010601 -0.036180 21H 2s 0.031609 -0.365720 0.060208 -0.064406 0.008786 0.080430 21H 3s -0.071293 0.140014 -0.139546 0.023423 0.025588 -0.087027 21H 1pz -0.021562 0.128580 0.010791 0.281001 0.078605 0.102735 21H 1px -0.040921 0.133179 -0.087137 -0.201218 -0.057830 -0.153139 21H 1py -0.038186 0.041164 -0.032607 -0.073289 -0.026199 0.006886 22H 1s 0.022020 0.072623 -0.010196 -0.259138 -0.091637 0.011857 22H 2s 0.232379 -0.502226 0.223015 0.337855 0.231109 0.050637 22H 3s -0.088230 0.211859 -0.153678 -0.144716 -0.032970 -0.073730 22H 1pz -0.062581 0.105617 -0.077495 -0.172708 -0.089323 -0.108797 22H 1px 0.031436 -0.202562 0.053442 0.255008 0.105909 -0.010568 22H 1py 0.073825 -0.224635 0.078551 0.207169 0.122862 -0.048852 23H 1s -0.058922 -0.029114 -0.057410 0.021337 -0.020561 0.030621 23H 2s -0.291328 -0.021189 -0.119311 0.041818 -0.015533 -0.074369 23H 3s 0.171325 0.076628 0.031664 0.049611 -0.047020 0.064214 23H 1pz -0.075453 0.043391 0.136747 0.014643 0.089275 -0.035767 23H 1px 0.059633 -0.054054 -0.218725 -0.002417 -0.146052 0.146757 23H 1py 0.128424 0.043776 0.147614 -0.010613 0.074787 -0.001983 24H 1s -0.050434 0.060513 0.237713 0.030505 0.151705 -0.050135 24H 2s -0.103664 0.044345 0.038474 0.081208 -0.108935 0.064740 24H 3s 0.093680 0.116056 0.066438 -0.020352 0.033302 -0.028217 24H 1pz -0.085715 0.026237 0.141861 0.041953 0.166728 0.020926 24H 1px 0.153748 0.018269 0.044169 -0.068300 0.048031 -0.130009 24H 1py -0.075328 -0.016106 -0.042037 0.023887 -0.012247 0.002658 25H 1s 0.067976 -0.045064 -0.227428 -0.029907 -0.145312 0.008573 25H 2s -0.684108 -0.008062 0.324880 0.136881 0.454598 -0.070523 25H 3s 0.269229 0.111913 -0.166227 0.002901 -0.156689 0.057227 25H 1pz 0.306043 -0.025678 -0.223039 -0.087150 -0.243634 -0.007500 25H 1px -0.223799 0.021380 0.228497 0.044664 0.198255 -0.050818 25H 1py 0.064054 0.008922 -0.039560 0.003152 -0.069424 0.077225 26O 1s 0.022793 0.002213 -0.007603 0.003791 0.010981 -0.006676 26O 2s 0.080572 0.009079 -0.021304 0.010116 0.034246 -0.021780 26O 3s -0.701958 -0.090748 0.066518 0.008060 -0.194980 0.130025 26O 4s 1.855637 0.319804 0.205524 -0.398582 0.076724 -0.055586 26O 5s -1.143061 -0.918572 0.402189 -0.986528 -0.687135 0.594643 26O 1pz -0.241812 -0.139116 -0.146055 0.037333 0.037070 -0.008586 26O 1px -0.034599 -0.071422 -0.050619 0.016510 0.077793 0.002571 26O 1py -0.121535 -0.099156 -0.146089 0.036439 0.066711 -0.075958 26O 2pz 0.562182 0.368084 0.322396 -0.039160 -0.065237 -0.015424 26O 2px -0.291240 0.125575 -0.201553 0.313662 0.024781 -0.188469 26O 2py 0.114542 0.239443 0.233086 0.067154 -0.080081 0.156913 26O 3pz 0.102731 -0.632247 -0.239115 -0.034855 0.362380 0.006105 26O 3px 0.336432 -0.155356 -0.272886 0.328842 0.601311 -0.211737 26O 3py 0.238488 -0.393242 -0.329403 0.068556 0.481281 -0.058311 26O 1dz2 0.003684 0.000233 0.009386 -0.002320 -0.002144 0.001849 26O 1dxz -0.004538 -0.001775 -0.005458 0.000040 0.000097 -0.007671 26O 1dyz 0.000114 -0.002348 -0.008404 0.000330 0.006795 -0.000740 26O 1dx2y2 0.002741 -0.003474 -0.017280 0.010794 0.010485 -0.011061 26O 1dxy -0.001053 -0.002244 -0.004050 0.002764 0.006609 0.004535 26O 2dz2 0.054438 -0.055783 -0.094842 0.041767 0.092500 0.007863 26O 2dxz -0.123635 -0.098953 -0.030294 -0.022410 -0.000719 0.042620 26O 2dyz 0.040690 -0.088961 -0.069597 0.002939 0.075137 0.001588 26O 2dx2y2 -0.022550 0.070834 0.158346 -0.079024 -0.080323 0.143469 26O 2dxy -0.007698 -0.047144 -0.028729 -0.013866 0.008084 -0.086272 26O 1f0 0.009725 0.006231 -0.004696 -0.002581 -0.000854 0.004611 26O 1f+1 0.015720 -0.008988 -0.014522 -0.006368 0.010811 0.016133 26O 1f-1 0.028039 0.006313 -0.003214 -0.004826 0.003246 0.017192 26O 1f+2 -0.033145 -0.009645 0.018216 -0.009376 -0.012416 0.016225 26O 1f-2 0.015716 0.002159 0.010016 -0.000278 0.009979 0.003976 26O 1f+3 -0.005557 -0.011906 -0.015819 0.003902 0.001033 -0.022599 26O 1f-3 0.016428 0.004387 0.034962 -0.020893 -0.022194 0.007820 27O 1s -0.024512 0.005500 -0.018635 -0.006502 0.007226 0.008039 27O 2s -0.085412 0.022048 -0.064671 -0.019188 0.018546 0.025936 27O 3s 0.664521 -0.293808 0.498847 0.081239 -0.024570 -0.138842 27O 4s -1.300576 1.294663 -1.008958 0.052546 -0.404962 -0.050022 27O 5s 1.866929 0.332785 1.780344 0.358624 0.162065 -0.619362 27O 1pz 0.048572 -0.059855 0.046255 -0.111184 0.105881 0.102202 27O 1px 0.033308 -0.062620 0.039556 -0.064925 0.170806 0.057764 27O 1py -0.139750 0.207037 -0.117036 0.127205 -0.152979 -0.022234 27O 2pz -0.103729 0.154738 -0.098767 0.307634 -0.311064 -0.323561 27O 2px -0.103473 -0.471042 -0.124315 -0.084180 -0.047243 0.137347 27O 2py 0.351407 -0.398455 0.316309 -0.267542 0.305606 -0.034162 27O 3pz 0.047696 0.222371 0.241567 -0.104329 0.325414 -0.032109 27O 3px -0.403211 -0.004741 -0.424348 -0.185561 0.617844 0.184744 27O 3py -0.136159 -0.171231 -0.164406 0.124393 -0.589658 0.044985 27O 1dz2 -0.002987 0.001197 0.002404 0.004212 -0.009382 -0.003019 27O 1dxz 0.009139 0.000388 0.005323 0.007478 -0.009794 -0.011787 27O 1dyz -0.004095 -0.003951 -0.004642 0.000293 -0.007980 0.006154 27O 1dx2y2 -0.006144 -0.009045 -0.001218 -0.009077 0.014071 0.003794 27O 1dxy -0.001223 0.001287 0.001266 0.009707 -0.013144 -0.011350 27O 2dz2 -0.030705 -0.021436 -0.032546 -0.017274 0.011409 0.028142 27O 2dxz -0.051521 0.004209 -0.062663 -0.141762 0.131465 0.216118 27O 2dyz 0.034245 -0.098127 0.013808 0.035873 -0.099995 -0.027407 27O 2dx2y2 0.047670 0.050745 0.015751 0.085557 -0.139382 0.024412 27O 2dxy -0.042466 0.126266 -0.085951 0.027372 -0.019531 0.054454 27O 1f0 0.005461 -0.006089 0.003210 0.008059 -0.002777 -0.010622 27O 1f+1 0.007232 0.023264 0.001080 0.023996 -0.033554 0.001192 27O 1f-1 0.001750 -0.009777 0.007187 0.010076 -0.005272 -0.017977 27O 1f+2 -0.011486 -0.031544 -0.004002 -0.014696 0.012216 0.028050 27O 1f-2 0.006021 -0.031274 0.010708 0.005718 -0.014685 -0.006682 27O 1f+3 -0.000543 0.023875 0.008549 0.003428 0.000850 -0.036877 27O 1f-3 0.005267 -0.025365 0.003379 0.012041 -0.008650 0.005160 28O 1s 0.006951 0.021296 -0.017223 0.013109 0.005542 -0.000536 28O 2s 0.014790 0.072827 -0.058454 0.045634 0.015922 -0.003268 28O 3s 0.174195 -0.513861 0.421412 -0.349311 -0.017373 0.065740 28O 4s -1.641078 0.698684 -0.842324 0.707941 -0.416844 -0.363704 28O 5s -1.865869 -2.318291 0.930332 -1.391454 -0.705757 0.225417 28O 1pz 0.146605 -0.087704 0.031817 -0.104427 0.003884 0.099189 28O 1px -0.083277 0.007154 0.070710 -0.023822 -0.086044 0.016569 28O 1py 0.101194 -0.039525 0.013041 -0.060571 -0.014193 -0.035542 28O 2pz 0.480569 0.421285 -0.131524 0.303197 0.287775 -0.174234 28O 2px -0.762990 -0.244120 -0.079722 0.041737 -0.115681 -0.190553 28O 2py -0.138287 0.119639 -0.060548 0.160157 0.098960 0.153001 28O 3pz 0.064112 -0.049034 -0.083513 0.204057 0.325417 0.043283 28O 3px -0.624957 -0.482664 0.257141 -0.419102 -0.380359 0.052270 28O 3py -0.176893 -0.170305 -0.047985 -0.090541 0.126635 0.033360 28O 1dz2 0.002265 -0.004728 0.001579 0.000364 -0.001493 -0.005035 28O 1dxz -0.022706 -0.005808 0.011676 -0.002331 -0.012661 -0.001581 28O 1dyz -0.002798 -0.006543 0.004178 -0.003348 0.000954 0.006576 28O 1dx2y2 0.013824 0.005486 -0.001089 0.001517 0.004319 0.004858 28O 1dxy -0.005483 0.002130 0.005004 -0.001100 -0.002573 -0.007744 28O 2dz2 -0.123663 -0.002864 0.065530 -0.085011 -0.086467 0.157541 28O 2dxz 0.162078 0.078362 -0.086926 0.075437 0.090915 -0.033749 28O 2dyz -0.069235 0.014154 0.056821 -0.009607 -0.057298 -0.081670 28O 2dx2y2 -0.057499 -0.051506 0.035057 0.002757 0.006216 -0.044300 28O 2dxy -0.041105 -0.003647 -0.035716 0.007631 0.070921 0.111076 28O 1f0 -0.037816 -0.001091 0.017555 -0.009269 -0.017116 0.022427 28O 1f+1 -0.021381 -0.005049 -0.006704 0.006784 -0.003671 -0.021417 28O 1f-1 -0.010435 0.003735 0.016302 -0.000757 -0.008351 -0.007707 28O 1f+2 0.061133 0.010084 -0.002419 -0.000472 0.021842 0.014423 28O 1f-2 -0.005283 -0.007191 0.000862 -0.003352 0.002475 0.015573 28O 1f+3 0.030695 0.000962 -0.018595 0.007637 0.021641 0.000047 28O 1f-3 0.003472 0.005343 0.009944 -0.001545 0.000238 0.006546 29O 1s -0.004537 -0.003939 0.004220 0.000650 -0.000682 0.001892 29O 2s -0.015616 -0.012565 0.014885 0.001399 -0.002270 0.006519 29O 3s 0.119993 0.078198 -0.116039 0.007277 0.012126 -0.047493 29O 4s -0.194788 -0.084618 0.223537 -0.051574 -0.107838 0.090511 29O 5s 0.072389 0.032379 -0.302528 -0.013612 0.620809 -0.181223 29O 1pz -0.009730 0.043446 -0.017323 -0.004376 -0.013417 -0.000199 29O 1px -0.054401 -0.067165 0.017737 0.033291 0.017305 -0.003270 29O 1py -0.000922 -0.008702 -0.005175 -0.000940 0.022066 -0.004231 29O 2pz 0.106374 -0.145953 0.060203 -0.023534 0.025995 0.004736 29O 2px 0.129481 0.119486 -0.039835 -0.101040 0.007747 -0.003128 29O 2py -0.001353 0.001493 0.014947 0.030611 -0.080654 0.017958 29O 3pz -0.009123 0.070185 -0.087150 -0.033882 0.034709 0.001323 29O 3px -0.044070 -0.007045 0.090987 -0.003875 -0.176436 0.019123 29O 3py 0.034294 0.002930 0.029021 0.034348 -0.059731 0.038523 29O 1dz2 0.003909 0.001414 -0.000865 -0.000127 -0.000866 0.001061 29O 1dxz 0.001517 -0.001533 0.002608 0.000886 -0.001752 0.000584 29O 1dyz 0.007673 -0.004077 0.004342 -0.001172 0.001871 -0.000580 29O 1dx2y2 -0.000326 -0.005265 -0.000466 0.001027 0.001915 0.000646 29O 1dxy -0.002143 -0.006177 0.001913 -0.002276 0.000672 -0.000309 29O 2dz2 -0.022976 0.044856 -0.006248 0.006203 -0.002211 0.000486 29O 2dxz 0.045051 -0.017132 0.005927 -0.028336 0.010408 0.000547 29O 2dyz -0.037444 0.037085 0.002916 0.022772 -0.005002 -0.003017 29O 2dx2y2 0.005344 -0.031074 0.001425 0.003616 0.013814 0.005308 29O 2dxy -0.036711 -0.030359 0.000573 0.031182 -0.025373 0.000851 29O 1f0 -0.004146 0.003801 0.002894 0.001176 -0.001223 0.001326 29O 1f+1 -0.001114 0.003922 -0.003510 0.002375 0.000754 -0.000692 29O 1f-1 -0.001113 0.007918 0.002163 0.000377 0.000398 0.001690 29O 1f+2 0.002142 -0.000336 0.000524 0.000580 0.000404 -0.000482 29O 1f-2 0.010314 -0.001030 0.000811 -0.002655 0.004266 0.001355 29O 1f+3 0.002757 0.007021 -0.002037 0.001745 -0.001729 -0.001087 29O 1f-3 -0.000504 0.002976 -0.000849 0.003616 -0.001143 -0.001025 30O 1s 0.005749 0.011355 -0.002568 -0.011888 0.006654 -0.001803 30O 2s 0.021665 0.030720 -0.006996 -0.041408 0.019911 -0.003059 30O 3s -0.228906 0.016472 -0.020157 0.336158 -0.087442 -0.072049 30O 4s 0.682890 -1.207889 0.355483 -0.879223 0.013366 0.658584 30O 5s 0.445021 -1.439073 1.244557 0.598233 0.185278 -0.056340 30O 1pz -0.016230 0.194979 -0.018181 -0.013264 0.055630 0.025239 30O 1px -0.025315 -0.027771 -0.020465 0.011254 -0.107389 0.037262 30O 1py -0.026744 -0.175604 -0.044238 -0.029278 -0.010151 0.150882 30O 2pz -0.114096 0.033487 -0.130882 0.063749 -0.024551 -0.323751 30O 2px 0.236598 -0.730408 0.299667 -0.084613 0.126756 0.175605 30O 2py 0.233753 -0.158297 0.331259 0.016342 -0.067137 -0.199031 30O 3pz 0.145864 0.231161 0.042094 -0.099857 0.386272 -0.098644 30O 3px 0.116033 -0.494992 0.282384 0.078894 -0.133880 0.045371 30O 3py -0.457832 -0.077350 -0.109116 0.020099 -0.407880 0.131441 30O 1dz2 -0.000267 -0.003861 0.005054 -0.003293 0.001856 -0.008898 30O 1dxz -0.001133 -0.016447 0.002980 0.000966 -0.008648 0.014155 30O 1dyz 0.003035 -0.006847 -0.002176 -0.000341 -0.005334 0.007881 30O 1dx2y2 -0.000627 0.004899 -0.002517 0.000010 0.001996 -0.005161 30O 1dxy -0.003631 0.020373 -0.005152 -0.007784 0.010099 -0.000680 30O 2dz2 -0.007843 0.148135 -0.078691 -0.025514 -0.006329 0.167426 30O 2dxz 0.002209 0.031350 0.005987 -0.037187 0.047657 -0.134800 30O 2dyz -0.077197 0.067420 -0.054999 -0.041680 0.083606 -0.036012 30O 2dx2y2 -0.089706 -0.053511 -0.059577 -0.007813 0.072951 0.111738 30O 2dxy 0.002301 -0.110018 0.095020 0.038742 -0.091088 -0.108651 30O 1f0 0.014270 -0.011804 0.010021 0.000360 -0.008212 0.011206 30O 1f+1 -0.000814 0.001880 0.001747 0.006814 -0.002210 -0.013389 30O 1f-1 0.006711 -0.004863 0.013148 0.006373 -0.004753 -0.031945 30O 1f+2 -0.011439 0.028811 -0.011241 -0.018078 0.029696 -0.000089 30O 1f-2 -0.005666 0.048585 -0.007819 0.013625 -0.003325 -0.018600 30O 1f+3 -0.011612 -0.011683 -0.012492 -0.002483 0.003496 0.029600 30O 1f-3 -0.011402 0.041912 -0.012680 -0.001938 0.012725 -0.009567 31O 1s -0.004981 -0.011360 0.002296 0.014103 -0.001798 -0.002050 31O 2s -0.019071 -0.030935 0.005726 0.047178 -0.008917 -0.004086 31O 3s 0.213726 -0.011528 0.036237 -0.336128 0.131869 -0.058956 31O 4s -0.683740 1.187687 -0.408672 0.728078 -0.516473 0.608578 31O 5s -0.577942 1.515996 -1.120966 -0.461606 0.563951 -0.052912 31O 1pz -0.013999 0.184232 -0.023861 -0.041397 -0.038797 -0.028883 31O 1px -0.026377 -0.025617 -0.010855 0.073313 0.082108 -0.038060 31O 1py -0.030874 -0.169837 -0.035734 -0.020835 0.031191 -0.144816 31O 2pz -0.133084 0.057334 -0.127584 0.053550 -0.012655 0.321604 31O 2px 0.256172 -0.727655 0.288847 -0.135874 -0.058644 -0.158339 31O 2py 0.259385 -0.168337 0.316652 0.069497 0.026645 0.195193 31O 3pz 0.141402 0.222702 0.021184 -0.308771 -0.254166 0.102493 31O 3px 0.147956 -0.511545 0.267015 0.165093 0.047583 -0.044482 31O 3py -0.463392 -0.067890 -0.078983 0.253831 0.323783 -0.136944 31O 1dz2 0.000153 0.003437 -0.004866 0.003801 -0.000208 -0.008943 31O 1dxz 0.000898 0.016175 -0.003840 -0.006043 -0.006505 0.013893 31O 1dyz -0.002935 0.006579 0.001576 -0.002702 -0.004661 0.007610 31O 1dx2y2 0.000667 -0.004866 0.002800 0.001276 0.001666 -0.005109 31O 1dxy 0.003817 -0.019632 0.005630 0.012458 0.003508 -0.000438 31O 2dz2 0.009066 -0.140494 0.072920 0.017569 -0.024104 0.168026 31O 2dxz -0.001152 -0.033882 -0.001100 0.058440 0.018161 -0.133849 31O 2dyz 0.078633 -0.069269 0.059824 0.085273 0.041714 -0.034620 31O 2dx2y2 0.088658 0.052810 0.061593 0.050628 0.050924 0.110147 31O 2dxy -0.004444 0.106006 -0.096195 -0.085549 -0.046366 -0.107622 31O 1f0 0.014913 -0.012392 0.010478 0.005206 0.006112 -0.010857 31O 1f+1 -0.000900 0.002565 0.001545 0.006870 -0.002350 0.013683 31O 1f-1 0.006789 -0.003800 0.012408 0.007922 -0.000703 0.031929 31O 1f+2 -0.011327 0.027675 -0.012768 -0.032285 -0.013269 -0.000520 31O 1f-2 -0.007019 0.048464 -0.008048 0.012034 -0.005607 0.017610 31O 1f+3 -0.011438 -0.011343 -0.011819 -0.003984 -0.000512 -0.029025 31O 1f-3 -0.012088 0.041282 -0.013478 -0.009882 -0.009083 0.008881 32O 1s 0.004554 0.003937 -0.004247 -0.001040 -0.000267 0.001862 32O 2s 0.015669 0.012517 -0.014960 -0.002868 -0.001302 0.006408 32O 3s -0.120187 -0.076921 0.115994 0.004449 0.015347 -0.046627 32O 4s 0.194979 0.080771 -0.227971 -0.028268 -0.117968 0.088445 32O 5s -0.073887 -0.034134 0.338910 0.385223 0.498921 -0.175683 32O 1pz -0.010840 0.044292 -0.015581 0.004098 0.013450 -0.001022 32O 1px -0.055171 -0.068239 0.017375 0.016684 -0.031773 0.002425 32O 1py -0.001729 -0.007919 -0.006933 -0.013216 -0.017206 0.004321 32O 2pz 0.111370 -0.149377 0.054480 -0.033392 -0.008210 0.003410 32O 2px 0.132042 0.122620 -0.042798 -0.085896 0.048156 0.006474 32O 2py 0.001825 -0.002812 0.021587 0.070030 0.048692 -0.018246 32O 3pz -0.009904 0.073063 -0.086775 -0.048846 -0.004943 0.000667 32O 3px -0.045368 -0.006692 0.101331 0.101816 0.145550 -0.017308 32O 3py 0.033873 0.001131 0.032515 0.064068 0.031550 -0.037471 32O 1dz2 -0.003989 -0.001310 0.000954 -0.000437 -0.000833 0.000890 32O 1dxz -0.001477 0.001489 -0.002666 -0.001624 -0.000744 0.000675 32O 1dyz -0.007939 0.004386 -0.003946 0.001913 0.001019 -0.000864 32O 1dx2y2 0.000285 0.005205 0.000575 0.000326 0.002068 0.000703 32O 1dxy 0.002026 0.006291 -0.001757 0.002151 -0.000676 -0.000394 32O 2dz2 0.020444 -0.043371 0.005714 -0.004336 0.002065 0.001935 32O 2dxz -0.047969 0.017522 -0.004571 0.029997 -0.007000 -0.001263 32O 2dyz 0.039585 -0.038633 -0.003625 -0.020523 0.009884 0.000047 32O 2dx2y2 -0.007626 0.032273 -0.000778 0.006210 0.012671 0.004811 32O 2dxy 0.036011 0.032172 -0.002680 -0.038937 -0.003278 0.002192 32O 1f0 -0.004285 0.003505 0.002810 0.001705 0.000192 -0.001344 32O 1f+1 -0.001276 0.003783 -0.003575 0.001562 -0.001909 0.000658 32O 1f-1 -0.001108 0.008069 0.002347 0.000121 -0.000623 -0.001783 32O 1f+2 0.001865 -0.000666 0.000488 0.000178 -0.000761 0.000502 32O 1f-2 0.010418 -0.001235 0.000405 -0.004561 -0.002030 -0.000961 32O 1f+3 0.002927 0.006907 -0.001980 0.002319 0.000308 0.001064 32O 1f-3 -0.000573 0.003153 -0.000768 0.003502 -0.001127 0.000829 33O 1s -0.006749 -0.020776 0.018235 -0.008018 0.011734 -0.000525 33O 2s -0.014253 -0.071095 0.061773 -0.029901 0.038095 -0.002991 33O 3s -0.176353 0.504875 -0.437388 0.289678 -0.204275 0.055964 33O 4s 1.643350 -0.705983 0.820689 -0.847842 0.026384 -0.305974 33O 5s 1.945934 2.204282 -1.128212 0.807751 -1.401476 0.263975 33O 1pz 0.139457 -0.082844 0.041120 -0.091386 0.057679 -0.092825 33O 1px -0.076547 0.007216 0.074167 0.032506 0.082192 -0.016811 33O 1py 0.092136 -0.038583 0.017298 -0.039761 0.047217 0.038230 33O 2pz 0.496202 0.391489 -0.189845 0.093931 -0.420399 0.181099 33O 2px -0.776467 -0.228224 -0.054271 0.094641 0.083486 0.164643 33O 2py -0.112161 0.114852 -0.076570 0.069602 -0.175315 -0.155731 33O 3pz 0.058683 -0.050878 -0.100713 -0.029584 -0.383079 -0.048975 33O 3px -0.637469 -0.454924 0.315119 -0.135179 0.557268 -0.063707 33O 3py -0.190739 -0.161795 -0.038506 -0.155658 -0.044590 -0.042068 33O 1dz2 -0.001969 0.004863 -0.001517 -0.001369 -0.000884 -0.005078 33O 1dxz 0.021858 0.005569 -0.012319 -0.005359 -0.011283 -0.001058 33O 1dyz 0.002491 0.006382 -0.004537 0.003515 -0.001270 0.006473 33O 1dx2y2 -0.013558 -0.005326 0.001415 0.001351 0.004511 0.004489 33O 1dxy 0.005602 -0.002090 -0.004881 -0.000662 -0.002465 -0.007630 33O 2dz2 0.119418 -0.001265 -0.076679 0.022186 -0.119289 0.156562 33O 2dxz -0.160822 -0.074575 0.095490 -0.010247 0.116881 -0.035552 33O 2dyz 0.074657 -0.014309 -0.059167 -0.027394 -0.050753 -0.078664 33O 2dx2y2 0.055288 0.051902 -0.033714 0.002189 0.007696 -0.041906 33O 2dxy 0.032522 0.002618 0.037425 0.039228 0.060557 0.111415 33O 1f0 -0.036176 -0.000387 0.019326 0.001591 0.019126 -0.022779 33O 1f+1 -0.021335 -0.004530 -0.006285 0.007860 -0.000456 0.020380 33O 1f-1 -0.009204 0.003406 0.015908 0.004346 0.006544 0.007216 33O 1f+2 0.061651 0.008984 -0.004941 -0.013183 -0.018460 -0.012741 33O 1f-2 -0.004505 -0.006962 0.001516 -0.004701 0.000305 -0.015986 33O 1f+3 0.030546 0.000561 -0.019632 -0.006235 -0.021353 0.000424 33O 1f-3 0.004113 0.005206 0.009767 -0.001654 0.000345 -0.006706 34O 1s 0.024549 -0.006045 0.018353 0.009655 0.001230 0.008307 34O 2s 0.085668 -0.023946 0.063351 0.026969 0.001013 0.026981 34O 3s -0.667776 0.305604 -0.484576 -0.084729 0.046689 -0.150761 34O 4s 1.310869 -1.297493 0.968536 -0.271917 -0.323298 -0.008212 34O 5s -1.949075 -0.223306 -1.656586 -0.250591 0.445217 -0.619445 34O 1pz 0.052961 -0.065372 0.043370 -0.150545 -0.020672 -0.098718 34O 1px 0.038872 -0.066558 0.027788 -0.150080 -0.101308 -0.055311 34O 1py -0.147679 0.206619 -0.108386 0.190667 0.052310 0.017672 34O 2pz -0.116488 0.171313 -0.090293 0.427033 0.070152 0.313783 34O 2px -0.115805 -0.442761 -0.101257 -0.047674 0.103494 -0.126429 34O 2py 0.372767 -0.402086 0.293313 -0.388919 -0.102010 0.041784 34O 3pz 0.057079 0.204098 0.213497 -0.269861 -0.214383 0.027513 34O 3px -0.414787 0.009596 -0.436784 -0.525077 -0.367257 -0.189600 34O 3py -0.150106 -0.156776 -0.121074 0.444259 0.415111 -0.036826 34O 1dz2 0.003080 -0.001043 -0.002810 -0.008873 -0.004998 -0.002846 34O 1dxz -0.009026 -0.000879 -0.005516 -0.011897 -0.003225 -0.011837 34O 1dyz 0.004002 0.003862 0.003943 -0.005055 -0.006586 0.006137 34O 1dx2y2 0.005905 0.008611 0.001723 0.015437 0.005895 0.003572 34O 1dxy 0.001607 -0.001751 -0.001651 -0.015524 -0.004887 -0.011260 34O 2dz2 0.030885 0.020246 0.031369 0.020361 -0.003322 0.027257 34O 2dxz 0.045840 0.004124 0.062807 0.190561 0.018394 0.214360 34O 2dyz -0.034056 0.093754 -0.018836 -0.088960 -0.059791 -0.029317 34O 2dx2y2 -0.045546 -0.047540 -0.022594 -0.150903 -0.060886 0.024040 34O 2dxy 0.045708 -0.120586 0.083295 -0.032996 -0.003497 0.054519 34O 1f0 0.005336 -0.005494 0.003000 0.008349 -0.002585 0.011018 34O 1f+1 0.006932 0.023016 0.002549 0.039114 0.012733 -0.001457 34O 1f-1 0.001625 -0.008600 0.007036 0.010979 -0.002000 0.018149 34O 1f+2 -0.010315 -0.032162 -0.004018 -0.018431 -0.000682 -0.027957 34O 1f-2 0.006567 -0.030177 0.011265 0.014173 0.008319 0.007126 34O 1f+3 -0.000546 0.023596 0.007337 0.002254 -0.003646 0.035903 34O 1f-3 0.004835 -0.023721 0.004088 0.014749 0.000159 -0.004503 35O 1s -0.023382 -0.001712 0.008493 0.002859 0.010761 -0.006969 35O 2s -0.082648 -0.007281 0.024288 0.010074 0.032661 -0.022977 35O 3s 0.715125 0.076969 -0.085544 -0.106538 -0.149823 0.144394 35O 4s -1.858858 -0.296149 -0.192104 0.338441 -0.162808 -0.108034 35O 5s 1.261313 0.811642 -0.568250 0.481877 -1.133921 0.611508 35O 1pz -0.244160 -0.132874 -0.137652 0.005964 -0.042876 -0.000018 35O 1px -0.034714 -0.067686 -0.050003 -0.036094 -0.070263 -0.005054 35O 1py -0.131488 -0.095637 -0.142040 -0.010301 -0.067734 0.068380 35O 2pz 0.570935 0.350374 0.296135 0.014549 0.054112 0.035417 35O 2px -0.274505 0.112344 -0.221684 0.251844 -0.194675 0.174551 35O 2py 0.150817 0.227752 0.213934 0.103415 0.011631 -0.145560 35O 3pz 0.079843 -0.615393 -0.232337 -0.256993 -0.261688 -0.006002 35O 3px 0.357121 -0.174329 -0.328647 -0.074990 -0.673646 0.213297 35O 3py 0.227246 -0.394428 -0.346570 -0.230564 -0.417765 0.058476 35O 1dz2 -0.003394 -0.000064 -0.009226 0.000748 -0.002579 0.001632 35O 1dxz 0.005199 0.001524 0.005173 -0.000128 -0.000260 -0.007388 35O 1dyz 0.000376 0.002141 0.008486 0.003809 0.005431 -0.000640 35O 1dx2y2 -0.002303 0.003458 0.017742 -0.002879 0.014077 -0.010757 35O 1dxy 0.000468 0.002184 0.004107 0.002015 0.006777 0.004779 35O 2dz2 -0.053892 0.055498 0.097006 0.020691 0.094376 0.007677 35O 2dxz 0.116705 0.096025 0.023703 0.019645 -0.017362 0.045906 35O 2dyz -0.039808 0.088557 0.071157 0.042545 0.059951 0.001564 35O 2dx2y2 0.013064 -0.070307 -0.160477 0.021156 -0.103250 0.138876 35O 2dxy 0.017471 0.045670 0.026867 0.013986 -0.003247 -0.083885 35O 1f0 0.008852 0.006389 -0.004553 -0.001589 0.002305 -0.004186 35O 1f+1 0.014417 -0.008432 -0.013680 -0.011552 -0.004045 -0.015304 35O 1f-1 0.027857 0.005995 -0.003391 -0.005881 0.000021 -0.016193 35O 1f+2 -0.031234 -0.009003 0.019961 -0.001074 0.015534 -0.016748 35O 1f-2 0.016944 0.001075 0.007991 -0.006279 -0.009190 -0.003650 35O 1f+3 -0.007239 -0.011430 -0.015547 0.003278 -0.002399 0.022480 35O 1f-3 0.016477 0.004310 0.035862 -0.004429 0.028558 -0.006927 546 547 548 549 550 551 3.57223 3.58715 3.62513 3.63340 3.67051 3.67632 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s -0.000291 -0.000641 0.001022 -0.000159 0.001686 -0.000624 0Rh 2s 0.002446 0.006387 -0.007385 0.001755 -0.014163 0.003940 0Rh 3s -0.000253 0.000038 0.001629 0.000109 0.001499 -0.001341 0Rh 4s -0.013337 -0.034771 0.040486 -0.009587 0.077463 -0.021683 0Rh 5s 0.028962 0.079385 -0.083636 0.022575 -0.167563 0.042126 0Rh 6s -0.024970 -0.084802 0.049272 -0.025739 0.130890 -0.011765 0Rh 7s 0.052384 0.270014 -0.036446 0.133101 0.116956 -0.082467 0Rh 8s -0.043218 -0.029687 -0.084244 0.003483 -0.035378 0.111443 0Rh 1pz -0.000466 0.003544 -0.006904 -0.001642 -0.003442 -0.001006 0Rh 1px 0.000525 0.002627 -0.000851 -0.004165 -0.001524 0.000871 0Rh 1py -0.003495 -0.000564 -0.003095 0.004956 0.003309 0.003375 0Rh 2pz 0.001689 -0.013519 0.026784 0.006377 0.013048 0.003975 0Rh 2px -0.001952 -0.009855 0.003365 0.016181 0.005945 -0.003488 0Rh 2py 0.012950 0.002117 0.011972 -0.019215 -0.011989 -0.013129 0Rh 3pz -0.001547 0.025472 -0.060468 -0.015047 -0.022319 -0.010515 0Rh 3px 0.002531 0.014759 -0.009313 -0.036467 -0.014288 0.009976 0Rh 3py -0.016442 -0.003356 -0.026548 0.043332 0.009120 0.029862 0Rh 4pz -0.006055 0.003632 0.039700 0.015331 -0.015568 0.013288 0Rh 4px 0.006089 0.021379 0.015788 0.020595 0.014499 -0.014103 0Rh 4py -0.037646 -0.002781 0.017280 -0.029728 0.060433 -0.017853 0Rh 5pz 0.006289 -0.035046 -0.000224 -0.015687 0.068905 -0.020294 0Rh 5px -0.019416 -0.078565 -0.044769 0.012801 -0.032751 0.031439 0Rh 5py 0.098982 0.007699 -0.000908 0.007538 -0.131469 -0.005907 0Rh 6pz 0.194614 -0.138089 -1.015416 -0.416837 0.032350 0.046553 0Rh 6px 0.047238 0.225239 0.480187 -0.455111 0.397264 -0.546354 0Rh 6py 0.227683 -0.001241 -0.534613 0.657377 -0.413866 0.365828 0Rh 1dz2 -0.008374 -0.009087 0.007353 0.030259 -0.020306 -0.086299 0Rh 1dxz 0.022615 -0.010534 -0.011236 0.021055 -0.013937 -0.051457 0Rh 1dyz -0.011512 0.005130 -0.005489 -0.011362 0.032789 0.019988 0Rh 1dx2y2 0.001116 -0.016993 -0.008588 0.017946 0.023705 -0.071040 0Rh 1dxy 0.021863 0.002532 -0.000264 0.015658 -0.075523 0.007785 0Rh 2dz2 0.002893 -0.001357 0.001003 0.004861 -0.002133 -0.013456 0Rh 2dxz 0.002948 -0.001872 -0.000727 0.003427 -0.002363 -0.007242 0Rh 2dyz 0.009070 0.000277 0.001960 0.000679 0.005275 0.002642 0Rh 2dx2y2 0.001792 -0.002845 -0.000156 0.004265 0.001821 -0.011075 0Rh 2dxy 0.006744 0.000415 0.002088 0.002055 -0.010284 -0.000012 0Rh 3dz2 0.015939 0.037975 -0.030428 -0.128825 0.081752 0.368497 0Rh 3dxz -0.092194 0.045393 0.042535 -0.089844 0.060190 0.216059 0Rh 3dyz -0.001254 -0.019124 0.010143 0.036554 -0.140518 -0.082488 0Rh 3dx2y2 -0.012073 0.072186 0.030947 -0.083036 -0.092311 0.303028 0Rh 3dxy -0.106985 -0.010762 -0.008779 -0.064586 0.315439 -0.027146 0Rh 4dz2 0.011891 -0.045394 0.035088 0.159845 -0.094443 -0.467899 0Rh 4dxz 0.105882 -0.057345 -0.038422 0.111683 -0.075911 -0.264273 0Rh 4dyz 0.082685 0.017887 0.013750 -0.017418 0.176001 0.088366 0Rh 4dx2y2 0.026771 -0.087744 -0.028149 0.119642 0.100172 -0.381323 0Rh 4dxy 0.153604 0.013655 0.031979 0.075991 -0.388788 0.016643 0Rh 5dz2 0.058222 0.021106 0.030952 -0.091609 0.057823 0.352338 0Rh 5dxz -0.054427 0.052442 -0.071890 -0.078197 0.040520 0.116920 0Rh 5dyz 0.086843 0.010187 -0.080055 -0.157401 -0.052226 0.138881 0Rh 5dx2y2 0.000448 0.041646 -0.031382 -0.174636 -0.014523 0.256417 0Rh 5dxy -0.028209 -0.018561 -0.126905 -0.014864 0.277460 0.136088 0Rh 1f0 -0.001907 0.005167 -0.005094 -0.013668 -0.005642 -0.004198 0Rh 1f+1 0.004068 -0.003706 -0.028382 -0.011270 0.002334 -0.001541 0Rh 1f-1 0.009654 -0.005955 -0.009803 -0.000314 -0.006015 0.000444 0Rh 1f+2 -0.001069 0.014340 0.005160 0.008649 -0.016601 0.002698 0Rh 1f-2 0.025269 0.001835 -0.001888 0.019109 -0.018087 0.017792 0Rh 1f+3 -0.006692 -0.005506 -0.009273 -0.013091 0.000520 0.000461 0Rh 1f-3 -0.002444 0.001339 -0.029977 0.021800 0.009488 0.006475 1Rh 1s -0.000300 -0.000723 -0.001059 0.000134 0.001771 0.000407 1Rh 2s 0.002532 0.006966 0.007706 -0.001535 -0.014632 -0.002213 1Rh 3s -0.000259 -0.000099 -0.001653 -0.000127 0.001724 0.001089 1Rh 4s -0.013800 -0.037940 -0.042237 0.008386 0.080055 0.012230 1Rh 5s 0.029964 0.085901 0.087485 -0.019969 -0.172273 -0.022115 1Rh 6s -0.025823 -0.088641 -0.052677 0.023652 0.130639 -0.001686 1Rh 7s 0.052463 0.268876 0.039876 -0.134964 0.132213 0.039879 1Rh 8s -0.039106 -0.024732 0.086405 -0.001869 -0.050660 -0.101521 1Rh 1pz 0.000446 -0.003702 -0.006853 -0.001607 0.003198 -0.001686 1Rh 1px -0.000535 -0.002554 -0.000856 -0.004167 0.001698 0.000757 1Rh 1py 0.003560 0.000325 -0.003097 0.005018 -0.002744 0.003667 1Rh 2pz -0.001608 0.014132 0.026585 0.006237 -0.012099 0.006503 1Rh 2px 0.001992 0.009569 0.003385 0.016193 -0.006637 -0.003040 1Rh 2py -0.013204 -0.001190 0.011974 -0.019448 0.009797 -0.014153 1Rh 3pz 0.001265 -0.026842 -0.060089 -0.014695 0.020094 -0.013789 1Rh 3px -0.002605 -0.014063 -0.009342 -0.036568 0.016166 0.008708 1Rh 3py 0.017052 0.001274 -0.026472 0.043751 -0.004245 0.029845 1Rh 4pz 0.006658 -0.002905 0.039793 0.014963 0.017340 0.005742 1Rh 4px -0.006097 -0.021894 0.015739 0.020978 -0.016763 -0.011755 1Rh 4py 0.037112 0.004233 0.016929 -0.029582 -0.063008 -0.009350 1Rh 5pz -0.007421 0.035402 -0.001091 -0.015215 -0.070498 0.001067 1Rh 5px 0.019499 0.077920 -0.044624 0.011691 0.037061 0.023504 1Rh 5py -0.098340 -0.008350 -0.000218 0.006854 0.130118 -0.022445 1Rh 6pz -0.195305 0.130702 -1.017513 -0.415842 -0.026028 0.082688 1Rh 6px -0.050301 -0.201988 0.478253 -0.448062 -0.478982 -0.447571 1Rh 6py -0.230000 -0.025325 -0.536247 0.652742 0.466143 0.295803 1Rh 1dz2 -0.008672 -0.008975 -0.008376 -0.031938 -0.007667 0.089849 1Rh 1dxz 0.022641 -0.009924 0.010449 -0.022243 -0.006918 0.048336 1Rh 1dyz -0.011257 0.005000 0.006249 0.012266 0.030023 -0.025098 1Rh 1dx2y2 0.000949 -0.016218 0.007615 -0.019718 0.032759 0.064496 1Rh 1dxy 0.022006 0.003063 0.000068 -0.015152 -0.075581 0.003665 1Rh 2dz2 0.002850 -0.001226 -0.001167 -0.005168 -0.000192 0.013807 1Rh 2dxz 0.002966 -0.001742 0.000605 -0.003618 -0.001404 0.006929 1Rh 2dyz 0.009094 0.000413 -0.001862 -0.000642 0.004952 -0.003413 1Rh 2dx2y2 0.001740 -0.002785 0.000007 -0.004538 0.003300 0.010333 1Rh 2dxy 0.006755 0.000463 -0.002128 -0.001984 -0.010090 0.001679 1Rh 3dz2 0.017173 0.036976 0.034777 0.136142 0.027974 -0.382701 1Rh 3dxz -0.092368 0.042676 -0.039203 0.094904 0.030883 -0.203508 1Rh 3dyz -0.002248 -0.019308 -0.013262 -0.039899 -0.129324 0.104179 1Rh 3dx2y2 -0.011248 0.069196 -0.026851 0.090520 -0.131211 -0.276393 1Rh 3dxy -0.107532 -0.012835 0.009648 0.062481 0.314678 -0.021197 1Rh 4dz2 0.010469 -0.043055 -0.040482 -0.169222 -0.026508 0.484204 1Rh 4dxz 0.106197 -0.053852 0.034296 -0.117996 -0.040503 0.249592 1Rh 4dyz 0.083740 0.019735 -0.010152 0.020595 0.164748 -0.115532 1Rh 4dx2y2 0.025525 -0.084611 0.023222 -0.128756 0.149674 0.349959 1Rh 4dxy 0.154193 0.015785 -0.033119 -0.073445 -0.384898 0.043756 1Rh 5dz2 0.058530 0.014179 -0.027463 0.097790 0.006526 -0.360963 1Rh 5dxz -0.054794 0.050037 0.074815 0.082372 0.027443 -0.109551 1Rh 5dyz 0.086719 0.000847 0.078818 0.157996 -0.078267 -0.124168 1Rh 5dx2y2 0.002019 0.041872 0.033143 0.178999 -0.051421 -0.240472 1Rh 5dxy -0.028887 -0.016750 0.127655 0.012750 0.250308 -0.177839 1Rh 1f0 0.001829 -0.004500 -0.005006 -0.013961 0.004793 -0.005825 1Rh 1f+1 -0.004155 0.003010 -0.028638 -0.011418 -0.002411 -0.001108 1Rh 1f-1 -0.009771 0.005969 -0.009860 -0.000902 0.006063 0.000277 1Rh 1f+2 0.001036 -0.014836 0.005106 0.008243 0.016890 -0.000588 1Rh 1f-2 -0.025228 -0.002804 -0.001700 0.019403 0.020630 0.015879 1Rh 1f+3 0.006675 0.005125 -0.009451 -0.013363 -0.000533 0.000769 1Rh 1f-3 0.002534 -0.002600 -0.030109 0.021616 -0.008263 0.008613 2C 1s 0.003740 0.001567 -0.001485 -0.003439 -0.001103 -0.001085 2C 2s 0.009479 0.003059 -0.005846 -0.008246 -0.002933 -0.001878 2C 3s 0.090513 0.075948 0.104796 -0.043266 0.067854 -0.057803 2C 4s -0.451793 -0.519228 -0.163587 0.422761 -0.295382 0.363132 2C 5s 2.393769 0.286666 2.524919 -0.142320 0.346571 -0.206370 2C 1pz 0.047192 -0.009363 0.009415 0.014621 0.022753 -0.028137 2C 1px -0.051958 -0.002972 0.041521 0.010608 0.013601 0.015985 2C 1py 0.025699 0.018610 -0.002542 0.014689 0.036599 0.044728 2C 2pz -0.178587 -0.235061 -0.129720 0.178282 -0.268331 -0.054207 2C 2px -0.317390 0.070904 -0.109324 -0.047209 -0.061221 0.071127 2C 2py -0.120745 -0.060084 -0.014684 -0.360047 -0.084843 0.290079 2C 3pz 0.404319 0.030039 0.574495 -0.005975 0.045918 -0.027121 2C 3px 0.113246 0.012012 0.148381 -0.029111 0.025524 -0.071563 2C 3py 0.206749 0.030879 0.365827 0.062728 -0.004173 -0.041975 2C 1dz2 0.054031 0.005698 -0.027367 0.017593 0.035806 0.080885 2C 1dxz 0.175894 -0.020299 -0.085223 0.030457 0.059710 0.132832 2C 1dyz -0.009136 0.014152 0.021595 -0.035133 0.029147 -0.001839 2C 1dx2y2 -0.120772 0.029123 0.051275 0.005696 0.028621 0.142868 2C 1dxy 0.023955 -0.064957 -0.003784 0.080344 -0.031580 -0.114429 2C 2dz2 -0.139318 -0.040105 0.002029 0.070930 -0.101221 -0.061960 2C 2dxz -0.122476 0.082018 0.148637 -0.165790 -0.128308 -0.170989 2C 2dyz -0.219330 -0.059704 -0.112051 -0.099908 -0.120083 0.074850 2C 2dx2y2 0.036323 0.010490 -0.135650 0.062377 0.056017 0.003412 2C 2dxy -0.061218 0.055561 -0.073823 -0.024780 -0.044694 -0.041234 2C 1f0 -0.005223 -0.026929 -0.000610 0.058270 0.009052 0.003390 2C 1f+1 0.145910 -0.084769 -0.023289 0.020696 -0.008024 0.079771 2C 1f-1 -0.226499 0.082113 0.047354 -0.103072 -0.042400 0.014248 2C 1f+2 -0.024601 0.229106 0.006811 -0.225712 -0.000505 -0.026872 2C 1f-2 0.010511 0.110128 -0.002369 -0.100297 -0.062062 -0.140879 2C 1f+3 0.008541 -0.061584 0.002042 0.037180 -0.081896 -0.141349 2C 1f-3 0.048739 0.233524 0.002527 -0.237076 -0.024358 -0.075996 3C 1s -0.004895 0.002738 0.005370 -0.000946 -0.000887 0.000283 3C 2s -0.013211 0.005847 0.012464 -0.003771 -0.004057 -0.000216 3C 3s -0.057851 0.098702 0.103393 0.067681 0.101531 0.035708 3C 4s 0.445667 -0.671363 -0.816017 -0.050313 -0.451422 -0.082022 3C 5s -2.252829 0.391814 0.452524 2.312197 0.560687 0.685683 3C 1pz -0.081826 -0.000763 -0.029813 -0.021990 -0.018918 -0.026647 3C 1px 0.037197 -0.000520 -0.021322 0.045127 -0.095461 -0.060018 3C 1py 0.011748 -0.002085 -0.000208 -0.005806 -0.045430 -0.024552 3C 2pz -0.082127 -0.112696 0.182605 0.142588 -0.332734 -0.088512 3C 2px 0.271993 0.063275 0.216210 0.051489 -0.187742 -0.446643 3C 2py -0.202017 0.206559 0.221968 0.157529 0.032158 -0.237834 3C 3pz -0.104124 0.052237 -0.040205 0.283575 0.122351 0.070196 3C 3px -0.159299 0.020647 0.025658 0.171625 0.109405 0.149880 3C 3py 0.355745 -0.026845 -0.058797 -0.545034 -0.100454 -0.141247 3C 1dz2 0.034589 0.027609 0.085466 0.001396 0.017505 -0.005798 3C 1dxz -0.123915 -0.035963 0.003348 -0.090198 0.143728 0.214860 3C 1dyz -0.136347 -0.037501 -0.074612 -0.018442 -0.114476 -0.038862 3C 1dx2y2 0.208080 0.002786 0.041110 0.035685 0.123201 0.135394 3C 1dxy 0.143625 0.032220 0.047534 -0.021263 0.194934 0.096057 3C 2dz2 -0.051271 -0.013713 0.043246 0.134198 -0.147151 -0.086982 3C 2dxz 0.076250 0.061567 0.116099 0.016945 0.276265 0.098658 3C 2dyz -0.070207 0.093832 0.055553 0.067167 0.322652 0.114458 3C 2dx2y2 -0.249153 0.027070 -0.036583 -0.096496 -0.017083 -0.180965 3C 2dxy -0.221789 -0.085108 -0.232120 0.018245 -0.294251 -0.052990 3C 1f0 -0.216769 -0.082014 -0.136430 0.021816 -0.197909 -0.170090 3C 1f+1 -0.060077 0.147594 0.181311 0.004904 0.007062 0.069605 3C 1f-1 -0.053956 0.048950 0.026203 -0.046277 0.119579 0.054707 3C 1f+2 -0.196186 -0.009674 0.008621 -0.079018 0.205497 0.113287 3C 1f-2 0.072998 0.173994 0.191112 0.074215 -0.223230 -0.160149 3C 1f+3 -0.021266 0.107706 0.156120 0.001368 0.068707 -0.045523 3C 1f-3 0.062739 0.095421 0.107475 -0.048933 0.254765 0.066251 4C 1s -0.000647 0.000662 -0.002324 -0.003199 -0.001645 -0.002944 4C 2s -0.000596 0.002439 -0.002932 -0.008991 -0.005213 -0.008439 4C 3s -0.532762 -0.033805 -0.259122 0.081561 -0.006882 0.056124 4C 4s 2.965432 0.040428 1.445581 -0.004236 0.350318 0.090806 4C 5s 2.669263 -0.179081 -1.077195 -0.008410 0.253130 0.296762 4C 1pz -0.068600 0.085849 0.062876 -0.080163 -0.024451 -0.057549 4C 1px 0.001629 -0.010191 0.006548 -0.010005 -0.030202 -0.030959 4C 1py -0.024872 -0.043324 0.047312 0.035371 -0.013619 -0.000113 4C 2pz 0.412931 -0.621325 0.005807 0.340575 -0.148977 0.309487 4C 2px -0.263982 0.099660 -0.005236 0.077909 0.045796 0.314003 4C 2py 0.062807 0.255838 0.008608 -0.328272 -0.149068 0.009908 4C 3pz 3.365536 0.163920 1.990609 0.093614 0.404258 -0.022910 4C 3px 0.768871 0.058084 0.333272 0.061860 0.053706 -0.031910 4C 3py 2.386836 -0.049384 1.325757 0.018997 0.296420 -0.056904 4C 1dz2 -0.014247 -0.029781 0.006335 -0.085511 0.003027 -0.017188 4C 1dxz 0.042548 -0.022930 -0.001665 -0.034397 -0.019673 -0.030848 4C 1dyz -0.039103 -0.011711 -0.016848 0.080078 -0.002262 0.056211 4C 1dx2y2 -0.017062 -0.017723 -0.008044 -0.068278 -0.009487 0.011101 4C 1dxy 0.006901 -0.015056 -0.018270 0.028852 -0.009298 -0.004521 4C 2dz2 -0.069450 -0.199070 -0.174149 0.556804 0.122974 0.072240 4C 2dxz -0.453116 0.263270 -0.245137 -0.049367 -0.019591 -0.074832 4C 2dyz 0.281754 0.212613 0.056288 -0.278680 0.129958 -0.085559 4C 2dx2y2 0.591385 -0.147891 0.365961 0.273928 -0.015035 0.108978 4C 2dxy 0.265568 0.120944 0.168945 -0.140755 -0.079887 -0.121500 4C 1f0 -0.092176 -0.042909 -0.020601 0.027403 -0.008454 -0.044002 4C 1f+1 -0.104273 0.227828 -0.005538 -0.309154 -0.015565 -0.080872 4C 1f-1 -0.025451 -0.079954 -0.007714 0.078260 0.050848 0.106202 4C 1f+2 0.182035 -0.213206 0.046523 0.146175 0.007900 0.066290 4C 1f-2 0.026725 -0.259027 -0.001100 0.334152 -0.021623 -0.010295 4C 1f+3 0.085579 0.210949 0.016630 -0.281990 -0.078600 -0.249829 4C 1f-3 0.004572 -0.346922 -0.074900 0.391634 0.008902 0.040153 5C 1s 0.000811 0.001520 0.004276 -0.003366 0.004296 0.002088 5C 2s 0.001972 0.004948 0.012666 -0.006335 0.012025 0.007353 5C 3s 0.489789 -0.084510 -0.160897 -0.212240 -0.019770 -0.130140 5C 4s -2.886230 0.145291 0.189146 1.332048 -0.521433 0.338024 5C 5s -2.753233 -0.142736 -0.124641 -0.905191 -0.814669 -0.328240 5C 1pz 0.047047 -0.000702 -0.008274 0.040015 0.013994 0.017662 5C 1px 0.001179 -0.045149 -0.016930 -0.000273 0.074070 0.028428 5C 1py -0.077832 -0.082137 -0.112627 -0.042788 -0.071418 -0.053139 5C 2pz -0.254131 0.020578 0.171171 -0.035714 0.095113 0.204198 5C 2px 0.277148 0.272383 0.231545 0.303179 -1.065383 -0.490806 5C 2py 0.424119 0.570461 0.545983 -0.071642 0.406798 0.002358 5C 3pz -1.967958 -0.022664 0.128567 1.115015 -0.009066 0.341383 5C 3px -1.277733 0.083461 -0.006278 0.645746 0.186774 0.232058 5C 3py 3.223206 -0.237934 -0.072172 -1.826907 -0.067030 -0.500175 5C 1dz2 0.009727 0.010825 -0.072855 -0.003155 0.049076 0.016549 5C 1dxz -0.017730 -0.009236 -0.068291 -0.033138 0.058249 0.056213 5C 1dyz -0.020493 0.032981 0.102959 -0.002366 0.103538 0.046388 5C 1dx2y2 -0.029193 -0.008779 -0.094611 -0.021544 -0.015987 0.021705 5C 1dxy 0.004665 0.024338 0.042525 0.015979 -0.032649 -0.025965 5C 2dz2 0.318392 0.046011 0.269505 -0.105740 -0.208688 -0.154505 5C 2dxz 0.356687 0.234643 0.393277 -0.228415 0.306343 -0.107991 5C 2dyz 0.432988 -0.071357 -0.170602 -0.148074 0.063964 -0.052298 5C 2dx2y2 -0.329484 0.172560 0.536083 0.365326 0.084261 0.059486 5C 2dxy -0.164933 -0.354056 -0.420407 0.110909 -0.231739 0.227077 5C 1f0 0.115050 -0.010742 -0.043428 0.046990 -0.252117 -0.182269 5C 1f+1 -0.047670 -0.302412 -0.446999 -0.164119 0.278037 0.182592 5C 1f-1 0.004833 -0.149625 -0.167692 -0.017958 0.128156 0.115891 5C 1f+2 -0.076158 0.249611 0.398806 -0.056858 0.325069 0.192695 5C 1f-2 -0.135870 -0.140681 -0.144749 0.047554 -0.082631 -0.054377 5C 1f+3 0.052011 -0.008587 0.021932 -0.046658 0.100891 -0.030090 5C 1f-3 -0.170751 -0.170085 -0.272919 0.001393 -0.001115 0.029387 6C 1s 0.000742 0.001288 -0.004242 0.003474 0.003997 -0.002730 6C 2s 0.001724 0.004353 -0.012542 0.006672 0.010953 -0.009189 6C 3s 0.494553 -0.085396 0.158435 0.206572 0.000112 0.137039 6C 4s -2.897417 0.179461 -0.187105 -1.321022 -0.573652 -0.281827 6C 5s -2.742466 -0.157339 0.116796 0.912136 -0.755504 0.428426 6C 1pz -0.045560 0.001175 -0.010135 0.039174 -0.011368 0.019073 6C 1px -0.000942 0.043750 -0.017702 0.000230 -0.068255 0.040827 6C 1py 0.076904 0.080057 -0.112833 -0.040600 0.063590 -0.064558 6C 2pz 0.248442 -0.024980 0.179054 -0.039811 -0.062380 0.212097 6C 2px -0.278576 -0.265882 0.237068 0.298019 0.963785 -0.655922 6C 2py -0.416946 -0.552657 0.551436 -0.075027 -0.403157 0.082941 6C 3pz 1.977946 -0.004890 0.126296 1.103324 0.062359 0.360299 6C 3px 1.285272 -0.096958 -0.008064 0.636018 -0.146408 0.274344 6C 3py -3.236520 0.287948 -0.071685 -1.800140 -0.012518 -0.539850 6C 1dz2 0.008746 0.012923 0.071956 0.002660 0.046885 -0.026277 6C 1dxz -0.018487 -0.008115 0.067640 0.032606 0.048720 -0.065365 6C 1dyz -0.023214 0.029200 -0.101636 0.004634 0.095167 -0.062969 6C 1dx2y2 -0.026741 -0.005863 0.093694 0.019109 -0.020050 -0.020266 6C 1dxy 0.004946 0.023853 -0.042649 -0.015547 -0.026946 0.031039 6C 2dz2 0.321688 0.039731 -0.273737 0.104455 -0.183348 0.194150 6C 2dxz 0.359597 0.215806 -0.394948 0.230418 0.318587 0.056308 6C 2dyz 0.436287 -0.073302 0.169425 0.146274 0.075454 0.047329 6C 2dx2y2 -0.334991 0.166327 -0.537757 -0.351018 0.079497 -0.066560 6C 2dxy -0.164603 -0.335659 0.425949 -0.115943 -0.269669 -0.181079 6C 1f0 -0.113461 0.011278 -0.044093 0.047137 0.216919 -0.219635 6C 1f+1 0.047427 0.297944 -0.456445 -0.158167 -0.242306 0.225232 6C 1f-1 -0.002095 0.150037 -0.174990 -0.015753 -0.106760 0.135068 6C 1f+2 0.075959 -0.241268 0.403857 -0.062723 -0.290316 0.241917 6C 1f-2 0.136546 0.135471 -0.147436 0.048589 0.074617 -0.068439 6C 1f+3 -0.050204 0.010115 0.023738 -0.046865 -0.104217 -0.015652 6C 1f-3 0.169992 0.165218 -0.277594 0.004495 0.007191 0.028318 7C 1s -0.000564 0.000505 0.002321 0.003031 -0.001238 0.002815 7C 2s -0.000359 0.001895 0.002946 0.008526 -0.004029 0.008102 7C 3s -0.534422 -0.020641 0.259059 -0.074049 -0.015489 -0.051641 7C 4s 2.960827 -0.001915 -1.445418 -0.008998 0.340560 -0.099978 7C 5s 2.659685 -0.151563 1.076228 -0.000845 0.210578 -0.272105 7C 1pz 0.067952 -0.079348 0.063348 -0.079190 0.016361 -0.054499 7C 1px -0.001871 0.006918 0.006856 -0.011712 0.025680 -0.032080 7C 1py 0.024719 0.044285 0.045745 0.037751 0.013537 0.002082 7C 2pz -0.409634 0.593829 0.001944 0.342030 0.191052 0.267762 7C 2px 0.267583 -0.076932 -0.006085 0.085949 -0.007522 0.252011 7C 2py -0.062168 -0.248807 0.017096 -0.339594 0.148562 -0.041099 7C 3pz -3.364240 -0.115284 1.986806 0.116281 -0.407914 0.029632 7C 3px -0.762427 -0.049700 0.328769 0.066874 -0.057243 -0.014037 7C 3py -2.391016 0.086118 1.322805 0.038866 -0.305440 -0.013258 7C 1dz2 -0.013036 -0.033276 -0.006188 0.084667 0.006083 0.018909 7C 1dxz 0.044095 -0.023420 0.001910 0.033650 -0.014983 0.028952 7C 1dyz -0.040384 -0.007368 0.016663 -0.076664 -0.010167 -0.049640 7C 1dx2y2 -0.017443 -0.018305 0.007834 0.068264 -0.010457 -0.005562 7C 1dxy 0.005729 -0.011824 0.018060 -0.027421 -0.008468 0.007862 7C 2dz2 -0.071974 -0.168364 0.176161 -0.558191 0.107457 -0.085149 7C 2dxz -0.455391 0.243879 0.246225 0.044833 -0.009736 0.052115 7C 2dyz 0.282132 0.201215 -0.057187 0.276785 0.143218 0.064529 7C 2dx2y2 0.592685 -0.152657 -0.364470 -0.281551 -0.030383 -0.100633 7C 2dxy 0.266478 0.092648 -0.167510 0.128175 -0.063128 0.104490 7C 1f0 0.091824 0.042156 -0.022865 0.029449 0.003084 -0.043765 7C 1f+1 0.102246 -0.218726 -0.003789 -0.317390 0.002758 -0.075156 7C 1f-1 0.025483 0.073533 -0.008781 0.075080 -0.035809 0.103645 7C 1f+2 -0.183425 0.207514 0.041988 0.151017 0.001829 0.072966 7C 1f-2 -0.026671 0.257232 -0.005480 0.345513 0.021007 0.000576 7C 1f+3 -0.084280 -0.207224 0.021446 -0.288260 0.044857 -0.234097 7C 1f-3 -0.004463 0.330507 -0.080069 0.399418 -0.000189 0.056306 8C 1s -0.004838 0.002541 -0.005283 0.001068 -0.000920 -0.000137 8C 2s -0.013009 0.005344 -0.012250 0.004055 -0.003975 0.000910 8C 3s -0.061137 0.097087 -0.102306 -0.067128 0.093459 -0.055713 8C 4s 0.453700 -0.646053 0.807191 0.043433 -0.426776 0.175048 8C 5s -2.270883 0.439101 -0.446365 -2.285672 0.449443 -0.789617 8C 1pz 0.079879 -0.000460 -0.028131 -0.020547 0.015305 -0.029554 8C 1px -0.037481 -0.001419 -0.020668 0.046112 0.083948 -0.073488 8C 1py -0.013740 0.001781 0.000540 -0.005946 0.039957 -0.032849 8C 2pz 0.078992 0.112569 0.183752 0.139483 0.318002 -0.163022 8C 2px -0.276886 -0.056887 0.219705 0.043901 0.108181 -0.475585 8C 2py 0.206491 -0.204681 0.226566 0.158517 -0.063870 -0.221057 8C 3pz 0.107596 -0.059718 -0.041825 0.279095 -0.111707 0.089490 8C 3px 0.161321 -0.025325 0.024645 0.169679 -0.082564 0.166948 8C 3py -0.359598 0.039495 -0.058786 -0.540705 0.078547 -0.160228 8C 1dz2 0.031777 0.024780 -0.086499 0.000076 0.020212 -0.000580 8C 1dxz -0.124205 -0.038316 -0.000451 0.089761 0.107111 -0.237798 8C 1dyz -0.132207 -0.034219 0.072474 0.017402 -0.107323 0.059297 8C 1dx2y2 0.201717 0.000933 -0.037222 -0.034964 0.099983 -0.154643 8C 1dxy 0.143173 0.029106 -0.046026 0.023210 0.178890 -0.128335 8C 2dz2 -0.053400 -0.011579 -0.041941 -0.133182 -0.131893 0.112189 8C 2dxz 0.074981 0.057663 -0.114022 -0.012579 0.258116 -0.137442 8C 2dyz -0.077550 0.092930 -0.055338 -0.066505 0.300551 -0.174619 8C 2dx2y2 -0.241979 0.027036 0.031738 0.093594 0.008658 0.180015 8C 2dxy -0.220354 -0.076477 0.232181 -0.024809 -0.286928 0.098353 8C 1f0 0.213506 0.074946 -0.132765 0.024413 0.171044 -0.201096 8C 1f+1 0.058007 -0.148365 0.190889 0.003034 0.001126 0.073198 8C 1f-1 0.052450 -0.050740 0.032419 -0.046487 -0.108910 0.073163 8C 1f+2 0.196361 0.016511 0.001131 -0.080100 -0.183158 0.145775 8C 1f-2 -0.072601 -0.171891 0.196097 0.071604 0.193344 -0.193404 8C 1f+3 0.021410 -0.103167 0.158947 -0.002911 -0.075500 -0.037606 8C 1f-3 -0.061331 -0.094011 0.113460 -0.049492 -0.240502 0.107108 9C 1s 0.003736 0.001422 0.001457 0.003195 -0.000919 0.001261 9C 2s 0.009454 0.002806 0.005768 0.007647 -0.002587 0.002505 9C 3s 0.091607 0.068049 -0.104965 0.039725 0.075494 0.040378 9C 4s -0.455057 -0.479156 0.166055 -0.393598 -0.344903 -0.284053 9C 5s 2.400110 0.206634 -2.522088 0.108747 0.375190 0.123120 9C 1pz -0.048302 0.010171 0.008431 0.015151 -0.026409 -0.022037 9C 1px 0.051206 0.003406 0.041641 0.010867 -0.011265 0.012339 9C 1py -0.023567 -0.020163 -0.000856 0.012585 -0.030449 0.044477 9C 2pz 0.173171 0.221377 -0.124926 0.185588 0.260968 -0.095508 9C 2px 0.317153 -0.065135 -0.110148 -0.041156 0.073177 0.060331 9C 2py 0.128949 0.065809 -0.019460 -0.364175 0.119897 0.251506 9C 3pz -0.402089 -0.014578 0.570533 -0.002957 -0.050036 -0.014345 9C 3px -0.112630 -0.008222 0.147081 -0.027924 -0.036160 -0.063366 9C 3py -0.213867 -0.023148 0.369751 0.066857 -0.002172 -0.032862 9C 1dz2 0.049954 0.007655 0.025140 -0.017512 0.024414 -0.080919 9C 1dxz 0.172342 -0.013454 0.084141 -0.025839 0.042302 -0.123856 9C 1dyz -0.006346 0.011957 -0.020680 0.034212 0.029541 -0.001919 9C 1dx2y2 -0.122412 0.031348 -0.052360 -0.001186 0.009867 -0.139292 9C 1dxy 0.025481 -0.062683 0.003612 -0.083729 -0.016182 0.108945 9C 2dz2 -0.135859 -0.036193 -0.001306 -0.073664 -0.092023 0.078034 9C 2dxz -0.117160 0.064262 -0.146898 0.159104 -0.104809 0.152277 9C 2dyz -0.220894 -0.057644 0.110827 0.099342 -0.129175 -0.047494 9C 2dx2y2 0.035962 0.015915 0.135754 -0.058432 0.054685 -0.001147 9C 2dxy -0.064309 0.053010 0.073028 0.022856 -0.039845 0.031957 9C 1f0 0.004766 0.021688 0.000544 0.056641 -0.008693 -0.007859 9C 1f+1 -0.146341 0.087361 -0.024362 0.027781 0.018272 0.083331 9C 1f-1 0.224684 -0.076083 0.047843 -0.104513 0.043311 0.006264 9C 1f+2 0.022496 -0.217631 0.009926 -0.228296 -0.004043 -0.024235 9C 1f-2 -0.010373 -0.113166 -0.000825 -0.112812 0.043756 -0.128559 9C 1f+3 -0.010573 0.074829 -0.000309 0.055842 0.062898 -0.127920 9C 1f-3 -0.048897 -0.224504 0.006568 -0.242284 0.014323 -0.085352 10H 1s -0.095320 0.051874 0.075499 -0.072627 -0.046203 -0.057422 10H 2s 0.423968 -0.002057 0.023036 -0.094072 -0.040633 -0.184467 10H 3s -0.255429 -0.024472 -0.145126 0.055691 -0.048532 0.066715 10H 1pz 0.207453 -0.076435 -0.027569 0.034830 -0.010871 -0.027019 10H 1px -0.147064 -0.018397 0.035967 0.042012 0.000276 0.059102 10H 1py 0.060459 0.101940 0.018158 -0.111375 -0.044282 -0.124292 11H 1s 0.038270 0.004028 -0.060570 -0.016707 0.012731 0.068823 11H 2s -0.069078 0.024290 -0.072213 0.070246 -0.060240 -0.223845 11H 3s -0.074312 -0.019618 -0.090943 -0.007104 0.006749 0.050993 11H 1pz -0.118815 0.094297 0.050427 -0.044160 -0.050983 -0.163086 11H 1px 0.020818 -0.117538 -0.039629 0.117227 -0.022056 -0.083552 11H 1py 0.002922 -0.054770 0.008762 0.083911 -0.003037 0.008943 12H 1s -0.006203 -0.003202 -0.011024 -0.016427 -0.027708 -0.062623 12H 2s -0.003499 0.120746 0.000569 -0.297777 0.081412 0.274712 12H 3s -0.143856 -0.061853 -0.128010 0.117142 -0.050800 -0.070694 12H 1pz -0.051721 0.018039 0.036588 -0.054801 0.001447 0.029252 12H 1px 0.036784 0.144306 -0.046209 -0.168171 0.033552 0.080491 12H 1py -0.049831 0.026375 0.036673 -0.096204 0.055998 0.179967 13H 1s 0.139548 0.067778 0.109300 0.023752 0.158624 0.050687 13H 2s -0.439773 0.055687 0.177856 -0.062306 0.248418 0.365546 13H 3s 0.299598 -0.039701 -0.087434 -0.109354 -0.066476 -0.144957 13H 1pz -0.136971 0.087082 0.150726 -0.039751 0.152436 0.194336 13H 1px 0.172323 0.035476 0.023047 0.040242 0.040182 -0.014454 13H 1py 0.203877 0.053226 0.037085 0.047830 -0.074012 -0.100975 14H 1s 0.051051 0.016398 0.051301 -0.002118 0.044973 0.082072 14H 2s -0.063241 0.119560 0.293096 0.158272 -0.468715 -0.472377 14H 3s 0.169287 -0.053983 -0.130366 -0.161827 0.109659 0.115134 14H 1pz 0.069624 -0.017618 0.014228 0.086738 -0.106184 -0.149611 14H 1px -0.080606 0.098089 0.146238 0.059569 -0.265927 -0.261614 14H 1py -0.036086 -0.043483 -0.077971 -0.050584 0.090098 0.090670 15H 1s -0.110984 -0.009962 -0.013915 -0.034333 -0.109576 -0.079426 15H 2s 0.098372 0.105860 0.070496 -0.130099 0.179751 0.160925 15H 3s 0.048253 -0.065860 -0.045519 -0.066346 -0.123242 -0.068670 15H 1pz 0.011671 -0.011262 -0.036702 0.031432 -0.013060 -0.005412 15H 1px -0.025552 -0.098437 -0.114734 -0.046598 0.062287 0.090133 15H 1py -0.173938 -0.099848 -0.112830 0.012486 -0.185472 -0.139548 16H 1s 0.002555 0.018919 -0.075660 0.037168 -0.156887 0.025568 16H 2s -0.110550 0.085229 0.144122 0.034667 -0.397573 -0.026232 16H 3s -0.042875 -0.028331 -0.057680 -0.022713 0.071564 -0.017363 16H 1pz -0.027361 0.045651 -0.025788 0.046652 -0.307004 0.019187 16H 1px 0.013845 0.002139 -0.001837 -0.000956 -0.003667 0.000786 16H 1py -0.012476 0.014436 -0.024288 0.024569 -0.096512 0.021276 17H 1s 0.009774 0.007485 -0.045079 0.050521 -0.165428 0.062522 17H 2s 0.043585 0.056148 0.012354 -0.044926 -0.295647 -0.084443 17H 3s 0.067353 -0.005398 0.025156 0.026824 0.054647 0.028382 17H 1pz -0.004370 -0.020227 0.024073 -0.029939 0.199578 -0.011049 17H 1px -0.020021 -0.020107 0.028226 -0.026656 0.162908 -0.011769 17H 1py 0.003769 0.008084 -0.041474 0.028068 -0.127091 0.027000 18H 1s 0.007396 0.008582 0.046079 -0.047750 -0.173115 -0.039298 18H 2s 0.034269 0.051651 -0.013432 0.042733 -0.283067 0.123084 18H 3s 0.065881 -0.004414 -0.026257 -0.026888 0.050918 -0.030605 18H 1pz 0.001121 0.020424 0.025288 -0.028894 -0.203289 0.014923 18H 1px 0.016184 0.020212 0.027829 -0.026239 -0.163900 0.011430 18H 1py -0.000367 -0.007647 -0.041120 0.026525 0.125118 0.010119 19H 1s 0.000488 0.020773 0.077346 -0.034451 -0.157128 -0.004788 19H 2s -0.119671 0.084725 -0.145428 -0.030730 -0.387093 0.077427 19H 3s -0.040989 -0.027539 0.056557 0.020785 0.070210 0.003986 19H 1pz 0.032305 -0.047064 -0.026504 0.042505 0.302121 -0.021288 19H 1px -0.014091 -0.001114 -0.002066 -0.001773 0.001052 -0.000810 19H 1py 0.015809 -0.016827 -0.025183 0.023803 0.104066 0.008004 20H 1s -0.106138 -0.009137 0.012377 0.033483 -0.096084 0.098175 20H 2s 0.097106 0.097604 -0.063106 0.132537 0.153569 -0.195995 20H 3s 0.050745 -0.064685 0.042503 0.063777 -0.112441 0.088952 20H 1pz -0.011859 0.008919 -0.034816 0.032330 0.011555 -0.007461 20H 1px 0.026169 0.098134 -0.119765 -0.045742 -0.046750 0.101199 20H 1py 0.170543 0.095386 -0.110168 0.014795 0.163237 -0.173040 21H 1s 0.047993 0.014057 -0.049064 0.003787 0.032049 -0.089024 21H 2s -0.060339 0.115219 -0.296067 -0.153221 -0.387764 0.545609 21H 3s 0.168373 -0.054925 0.132284 0.159669 0.088814 -0.130711 21H 1pz -0.068252 0.017627 0.012281 0.085941 0.081542 -0.167236 21H 1px 0.076703 -0.097484 0.151404 0.057674 0.220454 -0.302995 21H 1py 0.036673 0.042588 -0.079104 -0.048633 -0.072865 0.104549 22H 1s 0.136951 0.064353 -0.108366 -0.021258 0.150505 -0.076355 22H 2s -0.440637 0.049418 -0.172476 0.065079 0.183109 -0.397239 22H 3s 0.299567 -0.040748 0.085714 0.107779 -0.040475 0.154174 22H 1pz 0.137060 -0.083467 0.151098 -0.041662 -0.118385 0.215254 22H 1px -0.169769 -0.035096 0.023582 0.039152 -0.043225 -0.007338 22H 1py -0.203294 -0.053797 0.039724 0.047440 0.054752 -0.109325 23H 1s -0.002988 -0.004962 0.013054 0.013888 -0.019289 0.062129 23H 2s -0.009870 0.112528 0.000810 0.298018 0.047668 -0.252170 23H 3s -0.140106 -0.053648 0.126836 -0.116474 -0.041848 0.069411 23H 1pz 0.051437 -0.014210 0.036965 -0.054223 0.002159 0.026016 23H 1px -0.033809 -0.142447 -0.043607 -0.173224 -0.023403 0.069682 23H 1py 0.052391 -0.024115 0.035855 -0.096751 -0.032928 0.172805 24H 1s 0.034735 0.006682 0.058254 0.017400 0.003455 -0.063362 24H 2s -0.062514 0.021393 0.069421 -0.085889 -0.031615 0.219677 24H 3s -0.079418 -0.013298 0.092542 0.014131 0.000901 -0.043631 24H 1pz 0.115242 -0.088297 0.051761 -0.040051 0.029432 -0.157157 24H 1px -0.023412 0.114456 -0.041349 0.125625 0.011946 -0.081158 24H 1py -0.001972 0.053310 0.006288 0.084882 0.004695 0.009177 25H 1s -0.093593 0.044269 -0.075437 0.069571 -0.038292 0.050280 25H 2s 0.425303 -0.009237 -0.024685 0.083484 -0.013629 0.170042 25H 3s -0.255757 -0.017940 0.145545 -0.050186 -0.057599 -0.054673 25H 1pz -0.207226 0.075500 -0.027589 0.039818 0.006580 -0.021754 25H 1px 0.146310 0.018517 0.034826 0.041262 0.008328 0.057946 25H 1py -0.061462 -0.096815 0.019046 -0.112031 0.026732 -0.119290 26O 1s 0.027800 0.001971 0.015673 -0.001495 0.006649 0.004137 26O 2s 0.096577 0.006375 0.055325 -0.004632 0.023880 0.013643 26O 3s -0.734622 -0.027945 -0.429258 0.019484 -0.203372 -0.090110 26O 4s 1.390123 -0.067364 0.817603 0.093495 0.484779 0.177826 26O 5s -4.112297 -0.165782 -2.277285 0.049267 -0.674193 -0.436923 26O 1pz -0.041860 -0.046209 -0.132147 0.059865 -0.013574 0.001123 26O 1px -0.080245 -0.037314 -0.088994 0.036777 -0.005471 0.023522 26O 1py -0.066686 0.128081 -0.106159 -0.157823 -0.034264 -0.063583 26O 2pz 0.156745 0.158237 0.376537 -0.188441 0.033083 -0.006862 26O 2px 0.397081 0.223181 0.360252 -0.203062 -0.022427 -0.041446 26O 2py 0.274091 -0.332790 0.340045 0.464332 0.107301 0.268079 26O 3pz -0.477248 -0.144185 -0.728398 0.112277 -0.159706 -0.032310 26O 3px 0.891392 -0.080249 0.062126 0.045455 0.066517 0.245841 26O 3py 0.051027 0.022564 -0.403432 -0.142897 -0.068032 -0.091845 26O 1dz2 -0.005174 0.001579 -0.005034 -0.005519 0.003226 0.001427 26O 1dxz -0.002573 0.010157 -0.005953 -0.007172 0.001598 0.004550 26O 1dyz -0.004518 -0.001905 -0.009567 0.000731 -0.001591 -0.002250 26O 1dx2y2 0.002403 0.013140 0.003976 -0.009861 -0.003739 -0.009175 26O 1dxy -0.000849 -0.007549 -0.003420 0.006802 0.002338 0.011890 26O 2dz2 0.066042 -0.055124 0.003732 0.063909 -0.007069 0.044840 26O 2dxz 0.033308 -0.112301 -0.058715 0.145080 0.021166 0.052113 26O 2dyz 0.007137 -0.024950 -0.048364 0.009658 -0.022968 -0.051430 26O 2dx2y2 -0.072605 -0.189244 -0.022686 0.231466 0.047556 0.139513 26O 2dxy -0.069210 0.155371 -0.058094 -0.210478 -0.041205 -0.163932 26O 1f0 0.000741 -0.013401 0.000526 0.015697 -0.000451 -0.009723 26O 1f+1 0.006505 -0.029676 -0.005753 0.036589 -0.009327 -0.012073 26O 1f-1 0.010423 -0.022296 -0.004936 0.025550 -0.000044 0.002876 26O 1f+2 -0.010361 -0.028005 -0.005988 0.034944 0.000949 0.003466 26O 1f-2 0.015397 -0.005878 0.002579 -0.008845 -0.004820 -0.005625 26O 1f+3 -0.008624 0.029784 -0.004673 -0.024102 -0.006896 -0.022050 26O 1f-3 -0.019767 0.004419 -0.001285 -0.014321 0.003434 0.007646 27O 1s -0.028634 0.003427 -0.001118 0.012728 -0.007353 0.000496 27O 2s -0.099364 0.011252 -0.004982 0.043947 -0.023120 0.002669 27O 3s 0.759781 -0.058243 0.081733 -0.311526 0.102164 -0.053656 27O 4s -1.487928 -0.069490 -0.438778 0.540982 -0.069004 0.194886 27O 5s 4.077960 -0.254092 0.042687 -2.220561 1.070441 -0.140321 27O 1pz 0.011220 0.111998 0.160358 -0.055207 0.093859 0.009620 27O 1px 0.096737 0.036036 0.055031 -0.086754 0.006959 -0.016535 27O 1py -0.030698 0.047399 0.064588 0.111997 -0.053111 0.011269 27O 2pz -0.038374 -0.338359 -0.527983 0.175736 -0.358628 -0.086909 27O 2px -0.428027 0.052970 0.043624 0.452462 -0.341886 -0.078086 27O 2py 0.143433 -0.176931 -0.247195 -0.382147 0.263785 -0.018615 27O 3pz 0.374779 0.050546 0.170235 -0.463782 0.166984 0.012775 27O 3px -0.837634 -0.002362 -0.062483 0.048773 -0.259445 -0.027947 27O 3py -0.316684 0.143903 0.187117 0.642572 -0.159472 -0.009322 27O 1dz2 0.001149 -0.003466 -0.002224 -0.002655 0.008599 0.003131 27O 1dxz 0.003021 -0.010929 -0.013324 0.002105 -0.019916 -0.016286 27O 1dyz -0.003038 0.006487 0.004095 0.007708 -0.003572 -0.002935 27O 1dx2y2 -0.004332 -0.001752 -0.004152 0.005588 -0.009834 0.001459 27O 1dxy -0.002338 -0.007022 -0.004963 0.001355 0.010822 0.005453 27O 2dz2 -0.040648 0.014659 0.019627 0.063099 -0.107110 -0.035921 27O 2dxz -0.042177 0.201354 0.311385 -0.079902 0.259698 0.141358 27O 2dyz 0.003166 -0.038161 -0.086713 0.065744 -0.122552 -0.073723 27O 2dx2y2 0.116894 0.074498 0.123896 -0.013867 0.044365 0.045707 27O 2dxy 0.002198 0.089199 0.150847 0.120306 -0.134069 -0.006405 27O 1f0 0.000087 -0.007716 -0.008394 0.009764 -0.019342 -0.012683 27O 1f+1 0.022203 0.012500 0.024652 0.005464 -0.010777 -0.018890 27O 1f-1 -0.004682 -0.018955 -0.018916 -0.005815 0.027741 0.020517 27O 1f+2 0.010788 0.016173 0.013751 -0.010097 0.029284 0.013618 27O 1f-2 0.017873 -0.012432 -0.024802 0.001053 -0.028742 -0.012537 27O 1f+3 -0.005544 -0.031734 -0.044520 -0.022400 0.040199 0.023616 27O 1f-3 0.003425 0.008175 0.015056 0.006228 -0.009305 -0.019693 28O 1s 0.029822 -0.003337 0.011638 0.003208 0.001490 -0.001582 28O 2s 0.103206 -0.009861 0.040477 0.010325 0.005104 -0.006746 28O 3s -0.737717 0.023410 -0.304934 -0.055798 -0.039071 0.078724 28O 4s 1.176724 0.237931 0.594005 -0.033120 0.072741 -0.284963 28O 5s -4.532076 0.226710 -2.193997 -0.249800 -0.244632 0.263293 28O 1pz -0.142486 -0.125147 -0.123340 0.132439 0.009859 0.087606 28O 1px 0.048650 -0.035149 0.049250 0.067405 0.020818 0.022315 28O 1py -0.084836 0.116761 -0.044926 -0.118444 0.013947 0.004063 28O 2pz 0.689130 0.212321 0.447554 -0.341014 -0.020293 -0.188323 28O 2px -0.447889 0.293025 -0.203039 -0.318244 -0.074714 -0.142731 28O 2py 0.312780 -0.394665 0.152461 0.425102 -0.048045 -0.024026 28O 3pz -0.064082 -0.177536 -0.446474 0.061531 -0.010284 0.234542 28O 3px -0.999252 0.087827 -0.355597 0.027374 0.020526 0.077157 28O 3py -0.459280 0.042829 -0.397478 -0.216387 -0.058018 0.148279 28O 1dz2 -0.002806 0.012679 -0.002025 -0.012582 -0.003134 -0.007050 28O 1dxz -0.005800 0.004488 -0.003520 0.000316 -0.000499 -0.002579 28O 1dyz -0.007202 -0.011252 -0.004274 0.009877 -0.000942 0.001835 28O 1dx2y2 0.003679 -0.004034 0.003155 0.003840 0.000825 0.004150 28O 1dxy -0.008643 0.013711 0.000238 -0.013194 0.002913 0.005631 28O 2dz2 -0.062067 -0.216212 -0.079873 0.304801 0.040636 0.097091 28O 2dxz 0.111743 0.032136 0.054668 -0.053755 0.024154 0.018387 28O 2dyz -0.121051 0.163136 -0.044188 -0.200487 0.026155 0.060482 28O 2dx2y2 -0.040374 0.066460 0.008215 -0.079497 -0.027558 -0.061712 28O 2dxy 0.038663 -0.211369 0.008331 0.250328 -0.018290 -0.000409 28O 1f0 -0.016437 -0.034024 -0.002986 0.041745 0.013010 0.040510 28O 1f+1 -0.006372 0.023311 0.005605 -0.024088 -0.003855 -0.001827 28O 1f-1 -0.002999 0.014027 0.007642 -0.013730 0.000480 0.003443 28O 1f+2 0.026747 -0.023875 0.003361 0.016011 -0.002496 0.001963 28O 1f-2 0.007153 -0.023392 -0.002901 0.019748 -0.003752 -0.001953 28O 1f+3 0.019578 -0.007304 0.004597 0.006811 0.002103 0.013543 28O 1f-3 0.004735 -0.005602 0.008201 0.002618 -0.006720 -0.014685 29O 1s -0.000355 -0.000002 0.009563 -0.004432 0.012498 -0.006391 29O 2s -0.001132 -0.000606 0.034876 -0.016886 0.050792 -0.023300 29O 3s 0.005358 0.018400 -0.304193 0.161478 -0.554417 0.204137 29O 4s -0.000369 -0.024057 0.631908 -0.347149 1.236215 -0.425218 29O 5s 0.023426 -0.202378 -0.644854 0.238457 -0.267669 0.445290 29O 1pz -0.010432 -0.005937 -0.009647 -0.007227 0.035357 0.008631 29O 1px -0.010023 0.003673 0.013170 0.002068 -0.070312 -0.005176 29O 1py -0.004777 -0.016118 0.017429 -0.018325 0.111486 -0.011248 29O 2pz -0.008471 0.036128 0.019314 0.021777 -0.173150 -0.013875 29O 2px 0.015423 -0.029287 -0.015471 -0.026356 0.290157 0.007180 29O 2py 0.006194 0.061171 -0.080107 0.086887 -0.463544 0.047109 29O 3pz -0.121956 -0.015893 0.058203 0.089554 -0.058855 0.054166 29O 3px -0.045069 0.064841 0.181104 -0.010177 0.045824 -0.095627 29O 3py -0.020265 0.022620 0.176887 -0.133146 0.046758 -0.108786 29O 1dz2 0.001144 0.000781 0.002743 0.007253 -0.011231 -0.000902 29O 1dxz 0.000017 0.001166 -0.009970 -0.004139 -0.002994 -0.001809 29O 1dyz 0.002627 0.000491 0.001299 -0.006417 0.000491 -0.000348 29O 1dx2y2 0.000133 -0.001142 -0.002777 -0.002560 -0.006338 -0.001609 29O 1dxy 0.001679 -0.000752 -0.006774 0.006851 0.005633 0.001304 29O 2dz2 0.018262 -0.020091 0.039689 -0.012597 0.127253 -0.021017 29O 2dxz -0.007172 0.000048 -0.004716 -0.033181 0.091199 -0.022232 29O 2dyz 0.030030 -0.011472 -0.000956 -0.024806 0.049402 0.001620 29O 2dx2y2 -0.002509 0.001042 -0.007882 -0.004173 -0.052819 -0.005525 29O 2dxy 0.011395 0.012150 -0.046916 0.046139 -0.135819 0.022386 29O 1f0 0.000521 -0.001451 0.010430 -0.007521 0.023354 -0.005449 29O 1f+1 0.004626 -0.000638 0.000717 0.008272 -0.008126 0.002463 29O 1f-1 -0.001208 -0.003569 0.011300 -0.006754 0.027628 -0.006215 29O 1f+2 -0.003330 0.000595 -0.010484 -0.002951 -0.007952 0.001172 29O 1f-2 -0.000683 0.000316 0.008440 -0.007554 0.013409 -0.007503 29O 1f+3 0.001611 0.001540 0.001381 0.002617 -0.008447 0.005493 29O 1f-3 0.000638 0.000424 0.001096 -0.004319 -0.016532 0.004990 30O 1s -0.031581 -0.004559 -0.001051 0.013240 -0.004911 0.005149 30O 2s -0.108650 -0.014083 -0.001916 0.046208 -0.015595 0.018206 30O 3s 0.769650 0.056989 -0.039304 -0.359308 0.118932 -0.125411 30O 4s -1.218373 0.173249 0.361630 0.693227 -0.187338 0.163613 30O 5s 4.466094 0.244004 0.091099 -1.916780 0.203119 -1.106256 30O 1pz 0.087230 0.073594 0.095461 -0.052062 -0.105570 -0.077509 30O 1px -0.013496 0.028445 0.005547 0.045588 -0.081676 -0.032607 30O 1py -0.098855 0.132345 0.190869 0.097728 0.128251 0.095481 30O 2pz -0.499104 -0.358378 -0.473907 0.165832 0.351835 0.344176 30O 2px 0.336036 0.080218 0.151721 -0.183283 0.284811 0.019503 30O 2py 0.539400 -0.252863 -0.442246 -0.333031 -0.374053 -0.318721 30O 3pz -0.124451 -0.025378 0.181718 -0.159275 -0.264239 -0.247334 30O 3px 1.102882 0.126779 -0.010433 -0.330992 0.091150 -0.288063 30O 3py -0.084588 0.197622 0.115294 0.373524 0.396540 0.327169 30O 1dz2 -0.007162 -0.011955 -0.012258 -0.005556 0.011098 0.008173 30O 1dxz 0.008784 0.010165 0.010959 -0.000951 -0.001631 -0.004694 30O 1dyz -0.002901 0.006432 0.005445 0.005392 -0.004417 0.005037 30O 1dx2y2 -0.002314 -0.006009 -0.009298 0.008750 -0.011834 -0.007005 30O 1dxy -0.011257 0.001527 0.005372 0.003654 -0.003586 -0.001915 30O 2dz2 -0.001752 0.180789 0.288754 0.062039 -0.115994 -0.111698 30O 2dxz -0.100370 -0.140430 -0.211209 0.009438 -0.001590 0.057487 30O 2dyz -0.150869 -0.041991 -0.055638 -0.006939 0.182723 0.157363 30O 2dx2y2 -0.001997 0.106269 0.172852 -0.017392 0.265483 0.111693 30O 2dxy 0.053708 -0.112157 -0.178410 -0.082706 0.112039 0.054072 30O 1f0 0.018820 0.009302 0.016598 -0.007608 0.020285 0.013545 30O 1f+1 -0.006284 -0.008461 -0.006279 -0.000147 0.014285 0.021488 30O 1f-1 -0.004231 -0.034040 -0.042623 -0.004603 0.000058 -0.011499 30O 1f+2 -0.020715 -0.002674 -0.004640 -0.006181 0.022510 0.006020 30O 1f-2 -0.013373 -0.011999 -0.010024 0.003924 -0.008653 0.004783 30O 1f+3 -0.000070 0.022259 0.035302 0.007610 0.009919 0.008628 30O 1f-3 -0.024505 -0.001748 0.007605 -0.017345 0.065680 0.042845 31O 1s -0.031536 -0.003902 0.001104 -0.013326 -0.005803 -0.004854 31O 2s -0.108540 -0.011874 0.002076 -0.046480 -0.018738 -0.017476 31O 3s 0.769442 0.042202 0.038849 0.361002 0.139839 0.122111 31O 4s -1.218319 0.189571 -0.365130 -0.693980 -0.211918 -0.173178 31O 5s 4.470656 0.170377 -0.092425 1.907237 0.388037 1.126068 31O 1pz -0.089123 -0.071165 0.099131 -0.052706 0.090853 -0.095614 31O 1px 0.012778 -0.029629 0.006369 0.045715 0.075496 -0.043538 31O 1py 0.101251 -0.130895 0.192547 0.094060 -0.112311 0.116581 31O 2pz 0.503141 0.344058 -0.487065 0.169429 -0.287151 0.401184 31O 2px -0.333049 -0.067695 0.151270 -0.185020 -0.281400 0.063140 31O 2py -0.544741 0.255550 -0.446323 -0.323053 0.318611 -0.377412 31O 3pz 0.120887 0.030521 0.184976 -0.162208 0.219450 -0.296044 31O 3px -1.104506 -0.112728 -0.010787 -0.328260 -0.137350 -0.281219 31O 3py 0.090208 -0.203114 0.111704 0.370650 -0.332995 0.400792 31O 1dz2 -0.007178 -0.011929 0.012719 0.005354 0.009389 -0.009790 31O 1dxz 0.008644 0.009821 -0.011267 0.001158 -0.000722 0.005035 31O 1dyz -0.003064 0.006476 -0.005581 -0.005310 -0.005095 -0.004617 31O 1dx2y2 -0.002250 -0.005554 0.009460 -0.008909 -0.010627 0.008954 31O 1dxy -0.011108 0.001734 -0.005521 -0.003587 -0.003369 0.002568 31O 2dz2 -0.001101 0.178429 -0.295291 -0.058517 -0.096315 0.128737 31O 2dxz -0.099691 -0.135519 0.215645 -0.012021 -0.012692 -0.056072 31O 2dyz -0.151480 -0.041106 0.057381 0.006886 0.154155 -0.185142 31O 2dx2y2 -0.003717 0.101254 -0.174047 0.020869 0.244523 -0.151715 31O 2dxy 0.052805 -0.112313 0.182883 0.080137 0.100721 -0.073206 31O 1f0 -0.018783 -0.008864 0.016872 -0.007640 -0.017903 0.016756 31O 1f+1 0.006341 0.008610 -0.007082 -0.000085 -0.010611 0.023575 31O 1f-1 0.004387 0.033641 -0.043641 -0.004096 -0.001552 -0.011630 31O 1f+2 0.020516 0.002453 -0.004368 -0.006187 -0.021128 0.009354 31O 1f-2 0.013531 0.011542 -0.010181 0.003967 0.009400 0.003329 31O 1f+3 0.000250 -0.021653 0.035703 0.007136 -0.008769 0.010531 31O 1f-3 0.024600 0.002186 0.007403 -0.017496 -0.057669 0.052981 32O 1s -0.000183 -0.000342 -0.009719 0.004166 0.013284 0.004655 32O 2s -0.000395 -0.001825 -0.035435 0.015877 0.053591 0.016253 32O 3s -0.003374 0.028643 0.308873 -0.151982 -0.577562 -0.127450 32O 4s 0.019812 -0.044166 -0.640274 0.327566 1.283675 0.251800 32O 5s 0.024546 -0.183685 0.650240 -0.227061 -0.329965 -0.390967 32O 1pz 0.009655 0.005272 -0.009732 -0.006077 -0.029751 0.013181 32O 1px 0.011009 -0.001888 0.012896 0.001449 0.069297 -0.015412 32O 1py 0.004158 0.016851 0.017950 -0.016951 -0.111677 0.003932 32O 2pz 0.011513 -0.035414 0.019422 0.016345 0.152334 -0.035428 32O 2px -0.020748 0.025882 -0.014694 -0.024744 -0.289993 0.047621 32O 2py 0.000587 -0.064295 -0.081263 0.082203 0.466060 -0.015454 32O 3pz 0.121415 0.013229 0.058128 0.088949 0.068740 0.046264 32O 3px 0.041913 -0.060199 0.180142 -0.008833 -0.060634 -0.083167 32O 3py 0.025644 -0.015822 0.179475 -0.130104 -0.061193 -0.100383 32O 1dz2 0.000903 0.000945 -0.002779 -0.007275 -0.011070 0.002230 32O 1dxz -0.000089 0.001235 0.009996 0.004152 -0.002671 0.002173 32O 1dyz 0.002643 0.000415 -0.001028 0.006270 0.000195 0.000445 32O 1dx2y2 -0.000063 -0.001265 0.002692 0.002569 -0.006040 0.002615 32O 1dxy 0.001685 -0.000461 0.006869 -0.006977 0.005187 -0.002201 32O 2dz2 0.019853 -0.020562 -0.040631 0.010306 0.126037 0.003946 32O 2dxz -0.005641 0.000201 0.004583 0.032986 0.096410 0.009652 32O 2dyz 0.031033 -0.013484 -0.000384 0.024257 0.051242 -0.006631 32O 2dx2y2 -0.004238 0.000866 0.007279 0.004732 -0.050382 0.013524 32O 2dxy 0.008202 0.013124 0.046920 -0.044773 -0.137082 -0.003844 32O 1f0 -0.000959 0.001631 0.009989 -0.006677 -0.022036 -0.002148 32O 1f+1 -0.004406 0.000490 0.000284 0.008460 0.009662 0.001589 32O 1f-1 0.000879 0.003936 0.011860 -0.006696 -0.028913 -0.002584 32O 1f+2 0.003374 -0.000846 -0.011203 -0.002820 0.009512 0.000357 32O 1f-2 0.000375 -0.000131 0.008116 -0.007238 -0.014301 -0.005797 32O 1f+3 -0.001515 -0.001678 0.001454 0.002334 0.008484 0.004120 32O 1f-3 -0.000661 -0.000254 0.001174 -0.004691 0.016884 0.002447 33O 1s 0.029729 -0.003308 -0.011674 -0.003220 0.001801 0.001815 33O 2s 0.102899 -0.009924 -0.040593 -0.010401 0.006371 0.007449 33O 3s -0.735528 0.028345 0.305772 0.057053 -0.052992 -0.083367 33O 4s 1.171757 0.204934 -0.595001 0.027442 0.120046 0.285608 33O 5s -4.527193 0.252478 2.192332 0.262483 -0.288329 -0.250699 33O 1pz 0.142772 0.113827 -0.124114 0.132574 0.002807 0.077772 33O 1px -0.048200 0.034935 0.048563 0.068849 -0.017421 0.023095 33O 1py 0.085538 -0.118226 -0.042777 -0.124094 -0.013832 -0.003968 33O 2pz -0.689166 -0.192636 0.449627 -0.344773 -0.006349 -0.161989 33O 2px 0.446474 -0.276541 -0.200947 -0.320951 0.052482 -0.141739 33O 2py -0.314763 0.395126 0.145933 0.442533 0.046951 0.002290 33O 3pz 0.063905 0.164723 -0.443966 0.059757 0.042691 0.197839 33O 3px 0.999521 -0.091851 -0.356802 0.026177 -0.004841 0.093701 33O 3py 0.457113 -0.045757 -0.393495 -0.219796 0.078840 0.123878 33O 1dz2 -0.002751 0.012485 0.001812 0.013086 -0.002072 0.007233 33O 1dxz -0.005715 0.004027 0.003558 -0.000586 -0.000123 0.002442 33O 1dyz -0.007257 -0.010941 0.004335 -0.010270 -0.001183 -0.002102 33O 1dx2y2 0.003576 -0.003729 -0.003131 -0.003784 0.000163 -0.003652 33O 1dxy -0.008545 0.013379 -0.000428 0.013670 0.002105 -0.005007 33O 2dz2 -0.062107 -0.205592 0.082471 -0.310358 0.025787 -0.089728 33O 2dxz 0.111041 0.031629 -0.055495 0.056735 0.021657 -0.017387 33O 2dyz -0.121684 0.159717 0.041011 0.205937 0.018979 -0.046189 33O 2dx2y2 -0.039417 0.060989 -0.008358 0.079730 -0.018683 0.056093 33O 2dxy 0.039474 -0.208124 -0.005124 -0.259366 -0.020177 -0.009389 33O 1f0 0.016306 0.033200 -0.003566 0.042711 -0.007523 0.038719 33O 1f+1 0.006249 -0.022061 0.005799 -0.024623 0.003476 -0.002213 33O 1f-1 0.002886 -0.012692 0.007720 -0.013327 -0.000096 0.002026 33O 1f+2 -0.027010 0.022948 0.002994 0.016484 0.002709 0.002457 33O 1f-2 -0.007101 0.023434 -0.003385 0.020974 0.003651 0.000079 33O 1f+3 -0.019553 0.007180 0.004680 0.007157 -0.000227 0.013619 33O 1f-3 -0.004699 0.006301 0.008118 0.003595 0.004700 -0.014628 34O 1s -0.028554 0.003752 0.001078 -0.012549 -0.007405 0.000707 34O 2s -0.099115 0.012414 0.004848 -0.043324 -0.023487 0.001112 34O 3s 0.758123 -0.068080 -0.080842 0.307204 0.111847 0.036382 34O 4s -1.483325 -0.040907 0.437848 -0.538002 -0.107976 -0.183648 34O 5s 4.082585 -0.309847 -0.039386 2.190082 1.076843 -0.004918 34O 1pz -0.012645 -0.107504 0.162940 -0.057143 -0.090608 0.024592 34O 1px -0.097574 -0.032173 0.055711 -0.086422 -0.009733 -0.015940 34O 1py 0.032017 -0.049496 0.065317 0.110620 0.054003 0.003262 34O 2pz 0.042149 0.323886 -0.535516 0.181710 0.338878 -0.143531 34O 2px 0.430187 -0.060855 0.042741 0.447609 0.322478 -0.128260 34O 2py -0.146709 0.182546 -0.249913 -0.377020 -0.261939 0.021357 34O 3pz -0.378579 -0.035743 0.172114 -0.463075 -0.162907 0.033692 34O 3px 0.836707 0.001729 -0.059597 0.042397 0.250432 -0.064967 34O 3py 0.319852 -0.158078 0.187092 0.637874 0.153603 -0.030332 34O 1dz2 0.001129 -0.003447 0.002313 0.002603 0.008112 -0.004830 34O 1dxz 0.002969 -0.010706 0.013578 -0.002239 -0.017025 0.019367 34O 1dyz -0.003054 0.006561 -0.004249 -0.007606 -0.003040 0.003335 34O 1dx2y2 -0.004250 -0.001643 0.004300 -0.005657 -0.009929 0.000028 34O 1dxy -0.002557 -0.006952 0.005134 -0.001422 0.009828 -0.007087 34O 2dz2 -0.040373 0.015873 -0.019972 -0.062758 -0.098987 0.051331 34O 2dxz -0.040660 0.193839 -0.315703 0.083884 0.233074 -0.180725 34O 2dyz 0.002599 -0.035166 0.087902 -0.066911 -0.108908 0.091423 34O 2dx2y2 0.115693 0.072524 -0.125086 0.015580 0.037931 -0.051479 34O 2dxy 0.002338 0.090347 -0.152751 -0.118799 -0.130228 0.026186 34O 1f0 -0.000025 0.007616 -0.008796 0.009661 0.016862 -0.015719 34O 1f+1 -0.021941 -0.012143 0.025265 0.005222 0.007646 -0.020643 34O 1f-1 0.004950 0.019004 -0.019802 -0.005558 -0.024066 0.024783 34O 1f+2 -0.011045 -0.015760 0.014306 -0.010205 -0.026780 0.018339 34O 1f-2 -0.017967 0.012164 -0.025295 0.001538 0.026253 -0.016891 34O 1f+3 0.005450 0.031351 -0.045324 -0.021732 -0.035422 0.029711 34O 1f-3 -0.003133 -0.007780 0.015356 0.005948 0.006035 -0.021139 35O 1s 0.027649 0.001532 -0.015670 0.001313 0.005948 -0.004551 35O 2s 0.096065 0.004933 -0.055294 0.004018 0.021519 -0.015354 35O 3s -0.730758 -0.020380 0.428462 -0.015737 -0.186277 0.110926 35O 4s 1.381051 -0.059836 -0.813929 -0.092994 0.447253 -0.237103 35O 5s -4.095945 -0.099598 2.270572 -0.027112 -0.606252 0.457907 35O 1pz 0.042125 0.044427 -0.133547 0.062008 0.013923 0.005517 35O 1px 0.079634 0.036463 -0.089251 0.038636 0.008620 0.021471 35O 1py 0.067048 -0.124174 -0.104421 -0.160107 0.024998 -0.061880 35O 2pz -0.157143 -0.151394 0.380762 -0.194270 -0.035158 -0.025786 35O 2px -0.395028 -0.201286 0.362662 -0.202498 0.013684 -0.056334 35O 2py -0.275121 0.328436 0.335229 0.473325 -0.070556 0.250579 35O 3pz 0.476727 0.122892 -0.729465 0.111710 0.153512 -0.043471 35O 3px -0.886931 0.086031 0.059970 0.050697 -0.030744 0.232255 35O 3py -0.048598 -0.027981 -0.401795 -0.143250 0.053323 -0.099278 35O 1dz2 -0.005157 0.001710 0.005074 0.005807 0.002987 -0.002201 35O 1dxz -0.002691 0.010173 0.005777 0.007451 0.000914 -0.003845 35O 1dyz -0.004537 -0.001586 0.009500 -0.000794 -0.001342 0.002539 35O 1dx2y2 0.002321 0.012678 -0.004268 0.010146 -0.002346 0.009177 35O 1dxy -0.000820 -0.007425 0.003526 -0.007038 0.000743 -0.010882 35O 2dz2 0.065073 -0.053402 -0.002854 -0.065087 -0.012912 -0.043380 35O 2dxz 0.033496 -0.109520 0.061297 -0.149068 0.013299 -0.064030 35O 2dyz 0.007473 -0.023879 0.048691 -0.011168 -0.015742 0.044325 35O 2dx2y2 -0.071101 -0.181683 0.025904 -0.235090 0.027743 -0.138241 35O 2dxy -0.069029 0.150702 0.055465 0.212991 -0.018822 0.151597 35O 1f0 -0.000635 0.012807 0.000315 0.016268 -0.000645 -0.009145 35O 1f+1 -0.006191 0.028104 -0.006058 0.037357 0.007946 -0.009815 35O 1f-1 -0.010376 0.020992 -0.005231 0.025984 0.000377 0.002849 35O 1f+2 0.010410 0.027578 -0.006350 0.036048 -0.000313 0.003930 35O 1f-2 -0.015780 0.006359 0.002243 -0.008604 0.004009 -0.004099 35O 1f+3 0.008720 -0.029639 -0.004159 -0.025355 0.003891 -0.021067 35O 1f-3 0.019555 -0.004781 -0.001399 -0.015289 -0.002510 0.007338 552 553 554 555 556 557 3.67829 3.69438 3.70204 3.71010 3.73302 3.74399 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s 0.004815 -0.002620 -0.001625 0.000583 0.000699 -0.000832 0Rh 2s -0.042320 0.022444 0.009739 -0.002836 -0.005641 0.006843 0Rh 3s 0.003153 -0.002070 -0.003807 0.001763 0.000762 -0.000833 0Rh 4s 0.231596 -0.122930 -0.053683 0.015850 0.030983 -0.037584 0Rh 5s -0.511021 0.268907 0.101392 -0.028111 -0.066613 0.081238 0Rh 6s 0.448513 -0.222653 -0.013513 -0.005547 0.049128 -0.061385 0Rh 7s -0.331601 -0.096692 -0.467332 -0.055699 0.098413 -0.083258 0Rh 8s -0.210956 0.193985 0.150853 -0.523219 -0.132260 0.066808 0Rh 1pz 0.003806 0.003270 -0.003344 0.002273 -0.003304 0.003287 0Rh 1px -0.003003 -0.000365 0.007041 -0.002691 0.000082 0.000792 0Rh 1py -0.000342 0.002924 0.003018 0.001559 -0.002928 -0.004342 0Rh 2pz -0.014338 -0.011901 0.013181 -0.009019 0.012629 -0.012447 0Rh 2px 0.011929 0.001239 -0.027663 0.010911 -0.000158 -0.003110 0Rh 2py 0.001257 -0.011089 -0.011807 -0.005981 0.011076 0.016708 0Rh 3pz 0.022946 0.009715 -0.032925 0.024573 -0.023581 0.021045 0Rh 3px -0.032384 0.001509 0.067584 -0.034639 -0.003005 0.007797 0Rh 3py -0.001027 0.018957 0.028194 0.012444 -0.018673 -0.033520 0Rh 4pz 0.021286 0.060072 0.027836 -0.032579 -0.007214 0.013427 0Rh 4px 0.039570 -0.021007 -0.053856 0.062506 0.014543 -0.008711 0Rh 4py -0.007575 0.012926 -0.022074 -0.006308 -0.011028 0.000468 0Rh 5pz -0.069839 -0.138418 -0.013709 0.052642 0.055973 -0.038556 0Rh 5px -0.047400 0.067119 0.031625 -0.128511 -0.028361 0.021276 0Rh 5py 0.011829 -0.047074 0.009683 -0.000286 0.025888 0.053174 0Rh 6pz -0.167213 -0.530533 0.018987 -0.284322 -0.118710 -0.598362 0Rh 6px -0.054272 -0.414238 -0.510521 1.307759 -0.011246 -0.320556 0Rh 6py 0.568514 -0.492322 0.174516 0.509675 0.657011 -0.083204 0Rh 1dz2 0.012793 0.029980 0.027208 -0.023083 -0.046348 0.048618 0Rh 1dxz -0.040468 -0.067909 -0.019432 -0.006037 -0.033900 -0.082272 0Rh 1dyz -0.019148 0.006929 -0.016070 0.011521 -0.000530 -0.007083 0Rh 1dx2y2 -0.011305 -0.036133 0.039958 -0.020062 -0.074175 -0.024095 0Rh 1dxy 0.036870 -0.034888 0.002839 0.023498 0.081907 -0.020624 0Rh 2dz2 0.002368 0.003667 0.005642 -0.001878 -0.007529 0.007525 0Rh 2dxz -0.003720 -0.010503 -0.000272 0.000813 -0.006115 -0.012748 0Rh 2dyz -0.002291 0.002130 -0.001844 0.002799 -0.001151 -0.000672 0Rh 2dx2y2 -0.003423 -0.004167 0.003109 -0.006025 -0.012268 -0.003460 0Rh 2dxy 0.005538 -0.003172 -0.000992 0.002346 0.011988 -0.003979 0Rh 3dz2 -0.056565 -0.123540 -0.123183 0.090856 0.201028 -0.209381 0Rh 3dxz 0.160696 0.290617 0.070281 0.017721 0.149770 0.354840 0Rh 3dyz 0.078460 -0.034400 0.065642 -0.054292 0.007448 0.028685 0Rh 3dx2y2 0.056293 0.147559 -0.156436 0.099550 0.322540 0.102541 0Rh 3dxy -0.156271 0.138996 -0.005462 -0.094626 -0.349294 0.092517 0Rh 4dz2 0.077795 0.148304 0.171083 -0.097043 -0.261149 0.272216 0Rh 4dxz -0.179483 -0.372925 -0.061582 -0.005697 -0.199100 -0.463336 0Rh 4dyz -0.092813 0.049080 -0.075237 0.082523 -0.021781 -0.035657 0Rh 4dx2y2 -0.090231 -0.173074 0.167313 -0.154612 -0.422517 -0.131447 0Rh 4dxy 0.194115 -0.159274 -0.007546 0.108028 0.447357 -0.126901 0Rh 5dz2 -0.094132 -0.053910 -0.187703 -0.030398 0.168736 -0.200918 0Rh 5dxz 0.026790 0.290080 -0.108729 -0.049849 0.149192 0.352130 0Rh 5dyz 0.047204 0.029340 -0.009339 -0.148003 0.059464 0.035909 0Rh 5dx2y2 0.166045 0.068404 0.058499 0.189928 0.309891 0.096002 0Rh 5dxy -0.108661 0.081792 0.086895 -0.030556 -0.321001 0.118061 0Rh 1f0 0.017762 0.004099 0.001601 0.011785 0.013485 0.012606 0Rh 1f+1 -0.008462 0.010438 -0.001477 -0.007495 0.019044 0.020201 0Rh 1f-1 -0.005008 -0.012101 0.001600 -0.002608 0.011862 -0.010806 0Rh 1f+2 -0.003357 0.012907 0.005183 -0.020160 0.006641 -0.006339 0Rh 1f-2 -0.008865 -0.010342 0.001856 -0.002734 -0.007598 -0.000048 0Rh 1f+3 -0.015252 0.003072 -0.007675 -0.017066 0.004934 -0.008337 0Rh 1f-3 -0.019589 0.003487 0.003201 -0.001914 -0.017173 0.016613 1Rh 1s 0.004751 -0.002904 0.001220 -0.000636 0.000652 -0.000775 1Rh 2s -0.042031 0.023977 -0.006446 0.003302 -0.005338 0.006419 1Rh 3s 0.002951 -0.002840 0.003379 -0.001798 0.000664 -0.000750 1Rh 4s 0.229989 -0.131398 0.035627 -0.018405 0.029309 -0.035250 1Rh 5s -0.508427 0.283974 -0.062617 0.033756 -0.063309 0.076353 1Rh 6s 0.450382 -0.220033 -0.015128 0.000602 0.048007 -0.058378 1Rh 7s -0.354920 -0.188409 0.414081 0.059335 0.096276 -0.080244 1Rh 8s -0.201171 0.223409 -0.113911 0.524093 -0.115188 0.058418 1Rh 1pz -0.003714 -0.002385 -0.004195 0.002289 0.003632 -0.003389 1Rh 1px 0.002617 -0.001035 0.007135 -0.002657 -0.000238 -0.000696 1Rh 1py 0.000159 -0.003727 0.002428 0.001496 0.003017 0.004515 1Rh 2pz 0.013977 0.008445 0.016302 -0.009085 -0.013903 0.012843 1Rh 2px -0.010418 0.004259 -0.027982 0.010783 0.000792 0.002728 1Rh 2py -0.000547 0.014224 -0.009555 -0.005741 -0.011421 -0.017372 1Rh 3pz -0.022144 -0.001633 -0.036044 0.024789 0.026432 -0.021983 1Rh 3px 0.028760 -0.014909 0.067255 -0.034380 0.001026 -0.006705 1Rh 3py -0.000585 -0.026335 0.024048 0.011979 0.019424 0.034854 1Rh 4pz -0.021615 -0.065331 0.014636 -0.033026 0.005656 -0.012785 1Rh 4px -0.036832 0.031565 -0.048892 0.062456 -0.011311 0.007270 1Rh 4py 0.008494 -0.007519 -0.023334 -0.006283 0.010775 -0.000598 1Rh 5pz 0.069759 0.139083 0.017848 0.053581 -0.056094 0.038382 1Rh 5px 0.045605 -0.073618 0.015607 -0.128735 0.022772 -0.019229 1Rh 5py -0.011465 0.045742 0.016894 0.000017 -0.026517 -0.054802 1Rh 6pz 0.145655 0.519720 0.138026 -0.277667 0.120856 0.601934 1Rh 6px 0.087620 0.543111 -0.392686 1.310537 0.064784 0.298578 1Rh 6py -0.580818 0.425919 0.239976 0.511112 -0.636407 0.089620 1Rh 1dz2 0.010070 0.028778 -0.020045 0.022378 -0.048219 0.049770 1Rh 1dxz -0.042482 -0.073218 0.002745 0.007348 -0.039233 -0.080880 1Rh 1dyz -0.018718 0.005904 0.016459 -0.010711 0.004212 -0.007408 1Rh 1dx2y2 -0.012249 -0.032138 -0.047361 0.021018 -0.077187 -0.022491 1Rh 1dxy 0.036872 -0.033093 -0.008370 -0.024553 0.081509 -0.022934 1Rh 2dz2 0.002018 0.003778 -0.004678 0.001781 -0.007828 0.007679 1Rh 2dxz -0.003904 -0.010766 -0.002149 -0.000605 -0.006924 -0.012564 1Rh 2dyz -0.002213 0.002103 0.002162 -0.002631 -0.000253 -0.000777 1Rh 2dx2y2 -0.003726 -0.004179 -0.004078 0.006188 -0.012646 -0.003206 1Rh 2dxy 0.005426 -0.003269 0.000502 -0.002473 0.012057 -0.004308 1Rh 3dz2 -0.045287 -0.119794 0.093206 -0.087890 0.209088 -0.214226 1Rh 3dxz 0.168680 0.310678 0.000464 -0.023363 0.172634 0.348984 1Rh 3dyz 0.076595 -0.030645 -0.068480 0.050629 -0.013804 0.030354 1Rh 3dx2y2 0.061063 0.133456 0.187255 -0.103714 0.335053 0.095610 1Rh 3dxy -0.155739 0.133085 0.027482 0.098981 -0.348226 0.102338 1Rh 4dz2 0.064239 0.146443 -0.133994 0.093279 -0.270980 0.278147 1Rh 4dxz -0.188177 -0.392513 -0.027883 0.012943 -0.228329 -0.456046 1Rh 4dyz -0.090687 0.045754 0.080363 -0.077597 0.008772 -0.038644 1Rh 4dx2y2 -0.097879 -0.161523 -0.204950 0.160090 -0.437422 -0.122529 1Rh 4dxy 0.192114 -0.155689 -0.017876 -0.113352 0.447964 -0.139408 1Rh 5dz2 -0.087896 -0.067282 0.168063 0.034076 0.164931 -0.201943 1Rh 5dxz 0.024485 0.269841 0.170603 0.045130 0.166415 0.349004 1Rh 5dyz 0.050566 0.022947 0.016547 0.146555 0.006969 0.044772 1Rh 5dx2y2 0.180155 0.093814 -0.035276 -0.194191 0.312494 0.090402 1Rh 5dxy -0.098197 0.102120 -0.070713 0.034365 -0.338032 0.126715 1Rh 1f0 -0.017554 -0.004091 -0.000030 0.012169 -0.013148 -0.012782 1Rh 1f+1 0.008258 -0.009582 -0.003421 -0.007009 -0.018044 -0.020385 1Rh 1f-1 0.004818 0.011466 0.004211 -0.002532 -0.011693 0.010610 1Rh 1f+2 0.003363 -0.013957 0.002892 -0.020322 -0.007326 0.006384 1Rh 1f-2 0.008057 0.008666 0.003808 -0.002997 0.007798 0.000115 1Rh 1f+3 0.015145 -0.001698 -0.007374 -0.016893 -0.005691 0.008338 1Rh 1f-3 0.019186 -0.004830 0.002856 -0.002131 0.016933 -0.016115 2C 1s -0.001074 0.001757 0.000955 0.000560 -0.002071 0.001148 2C 2s -0.001848 0.006338 0.001662 0.001693 -0.005904 0.003116 2C 3s 0.019467 -0.119617 0.014549 -0.000200 0.042072 -0.021934 2C 4s 0.007014 0.527831 -0.143894 -0.120633 -0.162124 0.025250 2C 5s -0.007001 -0.302345 0.276447 -0.268486 -0.032500 0.111114 2C 1pz 0.021294 -0.050337 0.004649 -0.009839 -0.008938 -0.000718 2C 1px 0.039070 0.054027 -0.046558 -0.001320 -0.028290 -0.005285 2C 1py 0.049916 0.051408 -0.055359 0.018657 0.036255 -0.029646 2C 2pz -0.029396 0.116678 0.274166 -0.086375 -0.596630 0.343844 2C 2px -0.172252 -0.179705 -0.065961 -0.044202 0.348298 -0.237802 2C 2py 0.073462 0.456765 -0.345563 0.079041 0.366419 -0.280063 2C 3pz -0.015841 -0.039009 0.003937 -0.091815 0.085500 -0.014808 2C 3px -0.029995 -0.038424 0.092174 0.019572 -0.003675 0.033109 2C 3py -0.036035 -0.132445 0.096301 -0.052305 -0.111444 0.046191 2C 1dz2 0.035091 0.033066 -0.055157 0.043431 0.132112 -0.090507 2C 1dxz 0.144816 0.273859 -0.144404 0.070202 -0.013250 0.008885 2C 1dyz 0.049564 -0.013687 -0.035698 -0.024176 0.011677 -0.032561 2C 1dx2y2 0.026659 0.116120 -0.148757 0.016424 0.199361 -0.144408 2C 1dxy 0.010755 -0.072409 0.095895 -0.055163 -0.291832 0.156152 2C 2dz2 -0.007520 0.080763 0.122594 -0.040526 -0.313453 0.204501 2C 2dxz -0.323194 -0.518750 0.280599 -0.067580 0.282255 -0.100112 2C 2dyz -0.035349 0.190112 -0.051519 0.036656 -0.028477 0.001767 2C 2dx2y2 0.070119 0.074292 -0.053297 0.029606 -0.084503 0.037142 2C 2dxy -0.177420 -0.246968 0.139464 -0.010757 0.229946 -0.070486 2C 1f0 0.096942 0.151799 -0.051980 0.016690 -0.195720 0.081906 2C 1f+1 -0.053868 -0.020549 0.013554 0.047610 0.204167 -0.094136 2C 1f-1 -0.035625 0.053959 -0.044676 0.012628 0.039609 -0.024797 2C 1f+2 -0.009311 -0.041628 -0.057440 0.006996 0.063582 -0.071477 2C 1f-2 -0.147424 -0.321759 0.190301 -0.061903 0.033584 0.017230 2C 1f+3 -0.166784 -0.254709 0.254327 -0.057539 -0.063218 0.097306 2C 1f-3 0.034759 0.048286 -0.013629 -0.008159 -0.161328 0.071734 3C 1s -0.001047 0.001383 0.000248 -0.000839 0.001363 0.000361 3C 2s -0.002213 0.004402 -0.000375 -0.001887 0.003025 0.001701 3C 3s 0.023080 -0.105692 0.042239 -0.019209 0.034245 -0.040364 3C 4s -0.048490 0.420160 -0.217354 0.193765 -0.185298 0.236380 3C 5s -0.054098 -0.680133 0.629829 -0.086723 0.241157 -0.343463 3C 1pz 0.021905 -0.020069 -0.021370 0.002072 -0.013014 -0.029566 3C 1px 0.055047 -0.014305 -0.056599 0.030708 -0.007002 0.011196 3C 1py -0.013861 0.048279 -0.008909 0.002312 -0.023410 -0.014049 3C 2pz 0.075296 0.193369 -0.149939 -0.039502 -0.085241 -0.017315 3C 2px 0.062248 0.228782 -0.176075 0.023720 -0.393197 -0.788555 3C 2py 0.115619 -0.275612 -0.058639 -0.045711 -0.170637 -0.548123 3C 3pz -0.010101 -0.040853 0.099106 0.010669 0.091182 -0.011468 3C 3px -0.040822 -0.058650 0.175576 -0.025411 0.085423 0.045882 3C 3py 0.021796 0.133185 -0.101591 -0.004765 0.018373 0.122773 3C 1dz2 -0.016873 0.004174 0.004483 -0.011881 -0.058059 -0.080981 3C 1dxz -0.063610 -0.055624 0.079136 -0.018536 0.183300 0.356522 3C 1dyz -0.001663 0.035633 -0.048706 0.005486 -0.019265 0.027671 3C 1dx2y2 -0.073825 -0.005094 0.073218 0.007794 0.102348 0.201677 3C 1dxy -0.092918 0.016836 0.128609 -0.032067 -0.003767 -0.071512 3C 2dz2 0.094578 -0.025766 -0.080027 0.002808 0.033355 0.011959 3C 2dxz -0.119150 0.073408 0.170216 -0.101045 -0.098280 -0.302494 3C 2dyz -0.044501 -0.173462 0.134010 -0.038404 -0.023430 -0.202343 3C 2dx2y2 0.062654 -0.068182 -0.045478 -0.026193 -0.112438 -0.324878 3C 2dxy 0.155767 -0.135858 -0.174547 0.086686 0.142751 0.399617 3C 1f0 0.118090 -0.033907 -0.123362 0.021538 -0.056491 -0.115932 3C 1f+1 -0.005970 -0.017024 -0.015379 -0.011496 0.097043 0.196467 3C 1f-1 -0.024478 -0.025250 0.044596 -0.023716 0.029770 -0.004940 3C 1f+2 -0.077687 -0.031067 0.126608 -0.073882 0.020107 -0.053278 3C 1f-2 0.104073 0.008388 -0.158069 0.058140 0.021803 0.005221 3C 1f+3 -0.040329 0.071599 0.040345 -0.063582 -0.092478 -0.268074 3C 1f-3 -0.077762 -0.025723 0.112793 -0.055927 -0.046093 -0.153552 4C 1s -0.002835 -0.004262 0.005195 0.002426 0.001006 0.002062 4C 2s -0.010198 -0.011315 0.014675 0.005456 0.002647 0.005821 4C 3s 0.071885 -0.035042 -0.074862 0.009398 0.044324 -0.049563 4C 4s 0.139408 0.775221 -0.255528 -0.189456 -0.289086 0.070926 4C 5s 0.329787 0.890959 -0.165611 0.219943 -0.277218 0.094977 4C 1pz -0.058889 -0.069024 0.052782 -0.022742 -0.017997 0.036595 4C 1px -0.049632 -0.068673 0.051446 0.034663 0.052149 -0.042382 4C 1py -0.052730 -0.039424 0.043176 0.014139 0.064373 -0.015042 4C 2pz -0.043853 0.397457 0.055294 -0.051956 0.000644 -0.005569 4C 2px 0.446097 1.031302 -0.861202 -0.076819 -0.398065 -0.035089 4C 2py 0.124325 0.431929 -0.226261 -0.142300 -0.495379 0.113423 4C 3pz 0.104797 0.263520 0.064966 -0.241666 -0.238684 0.088565 4C 3px 0.032072 -0.112022 -0.033123 -0.105675 -0.029643 0.016604 4C 3py 0.057580 0.148043 0.045926 -0.217192 -0.043541 0.073331 4C 1dz2 0.026218 0.039755 -0.073990 0.002058 -0.020193 -0.014587 4C 1dxz -0.004142 -0.073588 0.049633 0.002430 0.002994 -0.011958 4C 1dyz 0.019265 0.073686 -0.033741 -0.001702 -0.022708 0.006956 4C 1dx2y2 0.001993 0.065000 -0.063499 -0.020728 -0.036613 -0.009709 4C 1dxy -0.002241 0.035134 -0.006675 -0.020753 0.010600 -0.023485 4C 2dz2 0.087193 0.000079 0.204645 0.054284 -0.163981 0.208742 4C 2dxz -0.278706 -0.380301 -0.081853 0.061121 0.523718 -0.283946 4C 2dyz 0.023524 -0.014977 -0.118414 0.018544 0.114124 -0.103047 4C 2dx2y2 0.008397 0.155903 0.043954 -0.045680 -0.015998 -0.021827 4C 2dxy -0.235469 -0.366583 0.108522 -0.056864 0.118123 -0.031801 4C 1f0 0.012576 -0.039431 0.051176 -0.033698 -0.130957 0.098629 4C 1f+1 -0.046505 -0.111998 -0.020781 0.052090 0.153063 -0.092275 4C 1f-1 0.068037 0.098327 -0.094692 0.015362 0.113261 -0.084490 4C 1f+2 -0.069577 -0.031470 0.081003 -0.001526 0.162654 -0.055256 4C 1f-2 -0.080015 -0.121040 0.138088 -0.000731 0.010590 0.057330 4C 1f+3 -0.145432 -0.382494 0.286618 -0.073306 -0.174397 0.145811 4C 1f-3 -0.118750 -0.213306 0.253364 0.030679 0.170621 0.033538 5C 1s -0.001298 0.001310 0.003040 -0.004011 -0.000735 -0.001632 5C 2s -0.005935 0.004068 0.009338 -0.010235 -0.001889 -0.004611 5C 3s 0.088096 0.036107 -0.082541 0.045900 -0.042465 0.027516 5C 4s -0.127048 -0.444335 -0.007703 0.148362 0.216601 0.009414 5C 5s 0.081608 -0.402332 -0.583390 0.003387 0.245466 0.045876 5C 1pz -0.022115 0.016219 0.019217 -0.008695 -0.009277 -0.014227 5C 1px -0.023781 -0.016655 0.058788 0.012726 -0.058011 -0.091652 5C 1py 0.046453 -0.020874 -0.054149 0.019804 -0.018831 -0.001113 5C 2pz -0.137450 0.139160 0.169683 0.023361 0.132648 0.116216 5C 2px 0.287617 0.187612 -0.876959 0.180304 0.041711 0.618143 5C 2py 0.066645 -0.274042 0.062759 -0.127043 0.103471 -0.051560 5C 3pz -0.028663 -0.547309 0.158163 0.010610 0.134524 -0.149646 5C 3px -0.158293 -0.277278 0.078362 0.001945 0.102251 -0.136210 5C 3py 0.053441 0.818895 -0.312244 -0.076354 -0.397065 0.252187 5C 1dz2 0.001716 -0.031960 0.023549 0.004925 -0.006841 0.012012 5C 1dxz -0.008222 -0.025405 0.017107 -0.016277 -0.025911 -0.026527 5C 1dyz -0.007181 -0.033033 0.060951 -0.065054 0.017909 -0.048161 5C 1dx2y2 -0.030820 0.006399 0.018245 0.019846 -0.030663 0.012698 5C 1dxy 0.009774 0.017311 -0.037226 0.035408 0.003768 -0.009160 5C 2dz2 0.118831 0.084335 -0.122349 -0.037485 -0.006028 0.036127 5C 2dxz -0.064471 -0.009869 0.078942 -0.110237 -0.016645 -0.191229 5C 2dyz -0.043224 0.178226 -0.059539 0.055315 -0.178546 -0.112072 5C 2dx2y2 -0.062429 0.102333 -0.043487 -0.045341 -0.043954 -0.243603 5C 2dxy 0.055549 -0.021473 0.135568 0.022941 0.307822 0.646476 5C 1f0 0.083627 0.042361 -0.192216 0.046053 -0.126859 -0.108298 5C 1f+1 -0.105922 -0.049263 0.244503 -0.055826 -0.007248 0.004368 5C 1f-1 -0.069367 -0.023065 0.087606 -0.014210 -0.007296 0.060907 5C 1f+2 -0.112853 -0.008785 0.184672 -0.088641 0.118425 0.021974 5C 1f-2 0.014020 0.018994 0.024125 0.009247 -0.070353 -0.150503 5C 1f+3 0.005633 0.003074 0.042903 -0.030049 -0.122540 -0.276227 5C 1f-3 -0.037588 0.008267 0.019076 0.043468 -0.057925 -0.055171 6C 1s -0.001097 0.001960 -0.002842 0.004035 -0.000966 -0.001707 6C 2s -0.005311 0.006161 -0.008777 0.010316 -0.002522 -0.004872 6C 3s 0.081095 0.010844 0.091607 -0.043807 -0.042605 0.030366 6C 4s -0.120244 -0.409752 -0.075436 -0.166795 0.244185 0.007035 6C 5s 0.052296 -0.536623 0.505645 -0.026613 0.263175 0.048389 6C 1pz 0.020710 -0.020979 0.017003 -0.008906 0.010730 0.016582 6C 1px 0.020478 0.004240 0.062903 0.010802 0.065040 0.092507 6C 1py -0.042980 0.034818 -0.052474 0.020523 0.016361 0.000344 6C 2pz 0.124087 -0.181796 0.138578 0.023306 -0.144231 -0.113987 6C 2px -0.226448 0.007430 -0.923056 0.183265 -0.092415 -0.618338 6C 2py -0.069777 0.255251 0.129627 -0.127249 -0.077944 0.029879 6C 3pz 0.010422 0.477353 0.268807 0.026210 -0.139835 0.151125 6C 3px 0.142613 0.237314 0.145154 0.016208 -0.112373 0.137442 6C 3py -0.022047 -0.701502 -0.480694 -0.102607 0.410163 -0.255621 6C 1dz2 0.004115 -0.026401 -0.030927 -0.005329 -0.010935 0.013630 6C 1dxz -0.004152 -0.018893 -0.022479 0.016313 -0.028287 -0.026697 6C 1dyz -0.002611 -0.018124 -0.068490 0.064973 0.014191 -0.048766 6C 1dx2y2 -0.029550 0.010850 -0.017002 -0.019262 -0.033797 0.012387 6C 1dxy 0.006456 0.009196 0.039636 -0.034820 0.007401 -0.010321 6C 2dz2 0.106987 0.051189 0.145590 0.037357 0.004355 0.030784 6C 2dxz -0.066784 -0.001832 -0.091795 0.115413 -0.035608 -0.178709 6C 2dyz -0.048635 0.158251 0.091417 -0.047953 -0.179696 -0.115849 6C 2dx2y2 -0.065483 0.096825 0.059523 0.049224 -0.029743 -0.254305 6C 2dxy 0.073975 0.020052 -0.120149 -0.034972 0.319821 0.649597 6C 1f0 -0.067006 0.006633 -0.199964 0.043980 0.122101 0.116244 6C 1f+1 0.085423 -0.007457 0.255093 -0.054503 0.021878 -0.007588 6C 1f-1 0.059602 -0.000527 0.093024 -0.013217 0.014647 -0.063659 6C 1f+2 0.097625 -0.038994 0.190108 -0.088646 -0.109590 -0.026531 6C 1f-2 -0.012549 -0.019453 0.018588 0.008460 0.066169 0.157844 6C 1f+3 -0.006718 -0.008072 0.044808 -0.033188 0.128666 0.283912 6C 1f-3 0.034523 -0.012237 0.017650 0.043013 0.060354 0.058994 7C 1s -0.002796 -0.003376 -0.006124 -0.002435 0.001553 0.001904 7C 2s -0.010103 -0.008796 -0.017218 -0.005450 0.004312 0.005391 7C 3s 0.072325 -0.048017 0.069768 -0.012835 0.032404 -0.048847 7C 4s 0.130424 0.728313 0.414676 0.209937 -0.307480 0.085165 7C 5s 0.339213 0.856369 0.362338 -0.199528 -0.324054 0.108880 7C 1pz 0.060103 0.061227 0.068715 -0.022803 0.010907 -0.036107 7C 1px 0.048467 0.059169 0.068447 0.034640 -0.057789 0.043986 7C 1py 0.051862 0.029849 0.053572 0.014847 -0.074941 0.019103 7C 2pz 0.025664 -0.418258 -0.038245 -0.051333 -0.012261 0.002737 7C 2px -0.416283 -0.847671 -1.067969 -0.081705 0.457260 0.012422 7C 2py -0.115772 -0.372132 -0.321385 -0.148941 0.536158 -0.142269 7C 3pz -0.099888 -0.277251 0.009929 -0.271572 0.214471 -0.086674 7C 3px -0.026405 0.111175 -0.014602 -0.107108 0.024156 -0.017836 7C 3py -0.054330 -0.156825 0.014923 -0.235814 0.029771 -0.072044 7C 1dz2 0.022749 0.022304 0.081616 -0.002236 -0.024849 -0.013907 7C 1dxz -0.002207 -0.063069 -0.062555 -0.002472 0.009860 -0.013958 7C 1dyz 0.020297 0.069100 0.050667 0.002388 -0.029940 0.009775 7C 1dx2y2 0.000272 0.051110 0.074889 0.020676 -0.038358 -0.008160 7C 1dxy -0.002141 0.033650 0.014130 0.019708 0.011661 -0.024539 7C 2dz2 0.100368 0.050000 -0.190653 -0.054343 -0.183607 0.213452 7C 2dxz -0.292036 -0.396209 -0.031221 -0.064365 0.546306 -0.297933 7C 2dyz 0.014757 -0.041982 0.104660 -0.018741 0.119764 -0.113506 7C 2dx2y2 0.012394 0.170178 -0.008919 0.049283 -0.008068 -0.020052 7C 2dxy -0.238184 -0.345202 -0.197232 0.061295 0.133769 -0.026758 7C 1f0 -0.014435 0.031536 0.054599 -0.035107 0.145041 -0.108134 7C 1f+1 0.052616 0.120045 0.008540 0.054113 -0.171171 0.103889 7C 1f-1 -0.067657 -0.082804 -0.112273 0.016682 -0.112685 0.089642 7C 1f+2 0.062747 0.007210 0.088167 0.000713 -0.180544 0.063696 7C 1f-2 0.072699 0.085625 0.156063 0.000293 -0.016732 -0.058898 7C 1f+3 0.138977 0.329173 0.355661 -0.075129 0.175495 -0.154753 7C 1f-3 0.105834 0.153339 0.294695 0.032660 -0.186708 -0.027273 8C 1s -0.001048 0.001395 0.000000 0.000816 0.001314 0.000312 8C 2s -0.002294 0.004159 0.001234 0.001828 0.002975 0.001544 8C 3s 0.026078 -0.092743 -0.064877 0.018349 0.029774 -0.036345 8C 4s -0.059180 0.364872 0.313276 -0.189339 -0.151504 0.217500 8C 5s -0.005274 -0.485598 -0.773778 0.066789 0.251526 -0.351208 8C 1pz -0.020605 0.025811 -0.017823 0.002485 0.014025 0.030003 8C 1px -0.049820 0.028206 -0.054930 0.030777 0.003916 -0.011545 8C 1py 0.015705 -0.044170 -0.018064 0.001558 0.022784 0.017274 8C 2pz -0.067153 -0.155532 -0.201361 -0.037525 0.073567 0.044291 8C 2px -0.030413 -0.161594 -0.211326 0.009964 0.380041 0.803976 8C 2py -0.104089 0.295869 0.003200 -0.046965 0.186389 0.548563 8C 3pz 0.003039 0.014968 0.109816 0.012120 -0.096751 0.010508 8C 3px 0.028166 0.014697 0.185706 -0.023555 -0.071504 -0.048742 8C 3py -0.012604 -0.097947 -0.130267 -0.007357 -0.015302 -0.127665 8C 1dz2 -0.018096 0.004581 -0.006746 0.013443 -0.058637 -0.079026 8C 1dxz -0.049962 -0.025555 -0.087628 0.013017 0.181536 0.367156 8C 1dyz -0.004349 0.023096 0.057339 -0.006900 -0.018877 0.023384 8C 1dx2y2 -0.065398 0.018963 -0.074182 -0.008585 0.103055 0.206833 8C 1dxy -0.084753 0.046563 -0.130551 0.034486 -0.011308 -0.068648 8C 2dz2 0.087673 -0.045073 0.078613 -0.004309 0.039109 0.006700 8C 2dxz -0.108910 0.109379 -0.162744 0.105895 -0.106556 -0.309985 8C 2dyz -0.034411 -0.137652 -0.176544 0.039792 -0.035726 -0.194330 8C 2dx2y2 0.054050 -0.088685 0.028725 0.027607 -0.118012 -0.324023 8C 2dxy 0.149869 -0.168140 0.159090 -0.095345 0.154438 0.407398 8C 1f0 -0.107253 0.068411 -0.120622 0.022499 0.050873 0.116979 8C 1f+1 0.004899 0.013441 -0.012109 -0.009524 -0.101841 -0.202341 8C 1f-1 0.019653 0.012851 0.049790 -0.023513 -0.028383 0.003534 8C 1f+2 0.066833 0.000613 0.135378 -0.073218 -0.013084 0.052423 8C 1f-2 -0.089346 0.030406 -0.160101 0.057751 -0.028413 -0.003458 8C 1f+3 0.041433 -0.074394 0.030199 -0.067759 0.095483 0.276937 8C 1f-3 0.070344 -0.000352 0.123353 -0.059052 0.052823 0.151657 9C 1s -0.001095 0.001853 -0.000674 -0.000537 -0.001825 0.001154 9C 2s -0.001886 0.006411 -0.000531 -0.001638 -0.005396 0.003179 9C 3s 0.018095 -0.114890 -0.040203 -0.000233 0.043208 -0.024493 9C 4s 0.015945 0.498881 0.268887 0.122733 -0.182486 0.041832 9C 5s -0.012478 -0.250048 -0.345007 0.287813 0.015038 0.100590 9C 1pz -0.021548 0.047909 0.012793 -0.009818 0.013133 -0.000644 9C 1px -0.037297 -0.043249 -0.056480 -0.001872 0.034848 0.002913 9C 1py -0.048859 -0.041384 -0.065502 0.018705 -0.034328 0.031604 9C 2pz 0.017109 -0.161104 0.228630 -0.089038 0.614666 -0.373733 9C 2px 0.179853 0.200196 0.010629 -0.046628 -0.344710 0.231385 9C 2py -0.068087 -0.390871 -0.432029 0.083791 -0.401705 0.304045 9C 3pz 0.019355 0.039313 0.015081 -0.094542 -0.098299 0.020000 9C 3px 0.027940 0.020457 0.097072 0.018529 -0.012987 -0.027906 9C 3py 0.034884 0.111353 0.121753 -0.056281 0.102969 -0.049172 9C 1dz2 0.034061 0.025144 0.057770 -0.043998 0.141297 -0.097680 9C 1dxz 0.144090 0.248767 0.208283 -0.071683 -0.017151 0.004133 9C 1dyz 0.049309 -0.019446 0.032880 0.023207 0.006619 -0.031184 9C 1dx2y2 0.023563 0.092430 0.166126 -0.019592 0.214126 -0.156755 9C 1dxy 0.014380 -0.053749 -0.096086 0.056961 -0.307251 0.167032 9C 2dz2 -0.002935 0.098497 -0.094470 0.041844 -0.328817 0.218799 9C 2dxz -0.321363 -0.465429 -0.404521 0.067459 0.324063 -0.108479 9C 2dyz -0.036759 0.175245 0.087180 -0.037581 -0.016705 0.000203 9C 2dx2y2 0.069570 0.061409 0.069078 -0.027331 -0.108748 0.044871 9C 2dxy -0.174754 -0.216947 -0.200272 0.009059 0.250081 -0.075752 9C 1f0 -0.094450 -0.135347 -0.087789 0.013986 0.213761 -0.089770 9C 1f+1 0.049796 0.009083 0.020079 0.049962 -0.227430 0.106886 9C 1f-1 0.039117 -0.043257 -0.051227 0.014256 -0.049062 0.028383 9C 1f+2 0.014448 0.053149 -0.042918 0.008065 -0.071247 0.076642 9C 1f-2 0.144297 0.285460 0.254830 -0.061877 -0.042985 -0.016692 9C 1f+3 0.161237 0.206277 0.305930 -0.057817 0.049046 -0.099774 9C 1f-3 -0.028097 -0.034949 -0.019871 -0.010962 0.171793 -0.080313 10H 1s -0.122327 -0.179433 0.096240 -0.023292 0.108371 -0.035668 10H 2s -0.014197 -0.114282 0.255463 -0.001286 -0.259379 0.208209 10H 3s -0.014226 0.027356 -0.108536 -0.005203 0.106441 -0.098122 10H 1pz -0.007539 -0.013940 0.096775 0.025986 -0.052734 0.069707 10H 1px -0.034731 -0.012408 -0.046179 -0.016279 0.129684 -0.088387 10H 1py -0.036773 -0.110454 0.113067 -0.027893 -0.147976 0.094710 11H 1s 0.034493 0.109525 -0.060122 0.031893 0.037869 -0.025526 11H 2s -0.078963 -0.219385 0.210007 -0.084373 -0.369539 0.200124 11H 3s 0.035247 0.126091 -0.105170 0.024113 0.134704 -0.074933 11H 1pz -0.086094 -0.207357 0.145073 -0.074410 -0.153487 0.091888 11H 1px -0.020033 -0.089049 0.112216 -0.035992 -0.175209 0.099645 11H 1py -0.031035 -0.005394 0.044249 0.001775 0.019002 0.026407 12H 1s -0.019332 -0.034848 0.071759 -0.027528 -0.128634 0.079810 12H 2s 0.148448 0.436192 -0.441927 0.148656 0.430960 -0.343064 12H 3s -0.042843 -0.122745 0.129433 -0.042163 -0.205171 0.120019 12H 1pz -0.006168 0.042237 -0.065695 0.023261 0.074758 -0.053632 12H 1px 0.078670 0.169253 -0.153143 0.049557 0.082604 -0.080766 12H 1py 0.060938 0.189771 -0.216588 0.068972 0.307323 -0.212014 13H 1s -0.060391 0.016055 0.093871 -0.025639 -0.035647 -0.135476 13H 2s -0.123086 -0.042835 0.174976 -0.144776 0.219762 0.324948 13H 3s 0.035920 0.047766 -0.116696 0.072510 -0.084815 -0.122871 13H 1pz -0.066018 -0.029744 0.085259 -0.053276 0.139007 0.225997 13H 1px -0.016651 0.010672 0.019680 0.003542 -0.033715 -0.064260 13H 1py 0.037811 0.012667 -0.064758 0.053019 -0.041989 -0.065483 14H 1s -0.035196 0.002440 0.039078 -0.003729 0.068826 0.144491 14H 2s 0.210498 0.085304 -0.302619 0.051024 -0.251136 -0.540958 14H 3s -0.066857 0.018376 0.104087 -0.009461 0.133380 0.243365 14H 1pz 0.059499 0.028396 -0.055693 0.015038 -0.119979 -0.256007 14H 1px 0.123290 0.044447 -0.166988 0.015815 -0.133513 -0.268322 14H 1py -0.028379 -0.035049 0.051352 -0.007319 0.036551 0.106125 15H 1s 0.031655 0.030437 -0.048769 -0.006848 -0.015041 -0.039761 15H 2s -0.082377 -0.013467 0.112739 0.020057 0.190554 0.287088 15H 3s 0.022820 0.019697 -0.086755 0.015172 -0.078828 -0.074860 15H 1pz -0.018351 0.009155 -0.002170 0.007253 -0.061298 -0.053493 15H 1px -0.036531 -0.019056 0.057681 0.002520 0.056694 0.131281 15H 1py 0.072632 0.014997 -0.107340 0.000324 -0.102446 -0.132601 16H 1s -0.358686 0.233230 -0.115073 -0.425674 0.020770 0.061360 16H 2s -0.836796 0.587199 -0.299470 -0.841830 0.032603 0.125600 16H 3s 0.208490 -0.242381 0.070272 0.251707 0.019579 -0.111021 16H 1pz -0.670135 0.450935 -0.211222 -0.756757 0.020675 0.093388 16H 1px -0.030772 0.034644 -0.014460 -0.045789 -0.012343 0.009733 16H 1py -0.231269 0.169155 -0.073307 -0.270042 0.007632 0.061199 17H 1s -0.369480 0.184613 -0.098805 -0.454392 -0.033142 -0.070718 17H 2s -0.885381 0.478211 -0.266220 -0.857481 -0.101867 -0.174668 17H 3s 0.282239 -0.074569 0.084478 0.240732 0.072213 0.092771 17H 1pz 0.512316 -0.261301 0.149144 0.564829 0.054417 0.082635 17H 1px 0.404449 -0.224669 0.106429 0.453465 0.033463 0.068727 17H 1py -0.358132 0.177555 -0.090438 -0.407835 -0.052055 -0.075622 18H 1s -0.370468 0.166381 0.118415 0.455452 -0.025137 -0.071381 18H 2s -0.896703 0.412333 0.312646 0.861742 -0.088119 -0.171042 18H 3s 0.284769 -0.054098 -0.084115 -0.241603 0.067557 0.092900 18H 1pz -0.526718 0.233223 0.179015 0.577726 -0.044305 -0.084309 18H 1px -0.407891 0.201421 0.130756 0.455847 -0.025524 -0.068295 18H 1py 0.345067 -0.151480 -0.103001 -0.393309 0.043429 0.073583 19H 1s -0.362696 0.210775 0.147030 0.426432 0.037864 0.060074 19H 2s -0.849650 0.520882 0.378498 0.840555 0.061529 0.128245 19H 3s 0.213065 -0.225761 -0.110769 -0.252603 0.011885 -0.110583 19H 1pz 0.672506 -0.402968 -0.270145 -0.750632 -0.046778 -0.091738 19H 1px 0.026959 -0.027779 -0.017799 -0.040626 0.013174 -0.008854 19H 1py 0.249427 -0.164127 -0.104419 -0.287529 -0.020064 -0.062665 20H 1s 0.026404 0.015259 0.056112 0.006676 -0.012722 -0.043613 20H 2s -0.072846 0.018274 -0.118334 -0.021178 0.189159 0.304203 20H 3s 0.016790 -0.002502 0.092677 -0.013707 -0.081059 -0.079910 20H 1pz 0.018565 -0.008370 -0.002759 0.006550 0.063450 0.055822 20H 1px 0.030081 0.002199 0.060625 0.004156 -0.055440 -0.136565 20H 1py -0.064098 0.015149 -0.113970 0.000885 0.100132 0.141886 21H 1s -0.030354 0.015741 -0.037983 0.002614 0.069306 0.146815 21H 2s 0.174841 -0.004629 0.319931 -0.045728 -0.241962 -0.558404 21H 3s -0.056165 0.043446 -0.098969 0.008352 0.124964 0.251911 21H 1pz -0.050096 -0.007380 -0.060596 0.011850 0.119720 0.264254 21H 1px -0.103993 0.005068 -0.176249 0.013260 0.127134 0.276591 21H 1py 0.021265 0.019070 0.056842 -0.005840 -0.035288 -0.110386 22H 1s -0.055649 0.036837 -0.095903 0.028740 -0.041472 -0.137327 22H 2s -0.097593 0.013040 -0.179400 0.136678 0.209267 0.325559 22H 3s 0.025309 0.014414 0.123703 -0.067957 -0.079083 -0.124040 22H 1pz 0.053019 0.000678 0.089299 -0.049188 -0.134311 -0.229107 22H 1px 0.017259 -0.013906 0.019620 0.001138 0.032800 0.065136 22H 1py -0.029195 0.005517 -0.065108 0.050564 0.038003 0.063739 23H 1s -0.017811 -0.023496 -0.075493 0.028310 -0.133863 0.085304 23H 2s 0.135447 0.350526 0.509085 -0.151780 0.452907 -0.366498 23H 3s -0.037790 -0.095594 -0.144931 0.043030 -0.211304 0.129346 23H 1pz 0.010413 -0.027484 -0.067751 0.023262 -0.082335 0.058258 23H 1px -0.073184 -0.135996 -0.180706 0.049466 -0.081875 0.084637 23H 1py -0.055885 -0.151765 -0.243366 0.072066 -0.325844 0.228510 24H 1s 0.033959 0.098532 0.081574 -0.032449 0.041724 -0.029622 24H 2s -0.077420 -0.186299 -0.256103 0.088125 -0.397238 0.226982 24H 3s 0.032931 0.106701 0.131305 -0.026440 0.144050 -0.084442 24H 1pz 0.086151 0.184855 0.189812 -0.076307 0.162171 -0.104142 24H 1px 0.016730 0.069327 0.127365 -0.037957 0.188655 -0.111105 24H 1py 0.028995 -0.003760 0.045179 0.001363 -0.019063 -0.027145 25H 1s -0.122115 -0.160603 -0.139776 0.022469 0.124867 -0.039871 25H 2s -0.006100 -0.062375 -0.256063 0.000824 -0.240884 0.207252 25H 3s -0.017348 0.006157 0.106666 0.004079 0.098679 -0.096715 25H 1pz 0.002305 -0.009061 0.089580 0.027164 0.042255 -0.066139 25H 1px 0.035894 0.020011 -0.035607 -0.015572 -0.132515 0.091463 25H 1py 0.035464 0.091265 0.128601 -0.028924 0.147379 -0.098311 26O 1s 0.000296 0.011516 -0.003086 -0.007599 -0.005130 0.005942 26O 2s 0.000143 0.037506 -0.008540 -0.025660 -0.016413 0.021453 26O 3s 0.032091 -0.215163 -0.007681 0.190145 0.085926 -0.191941 26O 4s -0.134202 0.302309 0.227549 -0.348820 -0.089251 0.493515 26O 5s 0.000062 -1.617316 0.614827 0.747143 0.521783 -0.553065 26O 1pz -0.055187 -0.065761 0.026437 0.009831 0.091810 -0.030409 26O 1px 0.057499 0.005796 -0.011863 0.022485 -0.015368 -0.006088 26O 1py -0.018192 -0.096490 0.016379 0.000593 -0.038127 0.027892 26O 2pz 0.192582 0.288789 -0.138232 -0.057458 -0.372791 0.124178 26O 2px -0.057864 0.256512 -0.236713 -0.108315 -0.135099 -0.029245 26O 2py 0.131341 0.508862 -0.243345 -0.007150 0.079862 -0.122091 26O 3pz 0.094427 -0.324683 0.218779 0.197881 0.144604 -0.067348 26O 3px 0.169972 0.284599 -0.033950 -0.181759 -0.056560 0.070300 26O 3py 0.091254 -0.085518 0.023627 0.046941 -0.094316 -0.077812 26O 1dz2 0.000984 -0.008370 0.005616 0.005203 0.009902 -0.000393 26O 1dxz 0.006318 0.009977 -0.008041 -0.005682 -0.011674 0.004206 26O 1dyz 0.006012 -0.002606 0.004088 0.002472 -0.008875 0.002377 26O 1dx2y2 -0.003122 -0.004054 0.003718 -0.004885 -0.011457 0.004953 26O 1dxy 0.007871 0.020254 -0.012017 -0.002324 0.003145 -0.003674 26O 2dz2 -0.007070 0.001608 -0.003401 0.015945 0.071221 -0.042066 26O 2dxz -0.080210 -0.089171 0.054195 0.027123 0.212198 -0.063684 26O 2dyz -0.057678 -0.140817 0.084268 0.024955 0.089467 -0.050743 26O 2dx2y2 0.052978 0.118630 -0.046977 0.049956 0.120371 -0.032484 26O 2dxy -0.079643 -0.255386 0.173159 -0.030079 -0.079048 0.108525 26O 1f0 -0.004266 -0.007379 0.017792 -0.009091 -0.030567 0.021052 26O 1f+1 -0.029215 -0.046898 0.047521 -0.006881 0.014288 0.007464 26O 1f-1 -0.003163 0.004061 0.003773 0.002126 0.004333 0.000330 26O 1f+2 0.004615 -0.002950 0.004459 0.003664 -0.008098 0.002758 26O 1f-2 -0.019882 -0.025224 0.012837 -0.002707 0.021376 -0.013954 26O 1f+3 -0.010504 -0.032183 0.017395 -0.003427 -0.011751 0.005751 26O 1f-3 0.000079 0.006439 -0.012762 0.005655 0.026906 -0.018535 27O 1s 0.002849 -0.001604 0.001625 0.003803 0.006937 0.002969 27O 2s 0.009850 -0.006662 0.007853 0.012590 0.024468 0.008927 27O 3s -0.067696 0.075852 -0.136984 -0.075799 -0.199837 -0.032412 27O 4s 0.102028 -0.256978 0.513398 0.090680 0.444101 0.035824 27O 5s -0.101360 0.507462 0.136585 -0.311756 -0.658184 -0.082691 27O 1pz -0.040864 0.002519 0.036121 -0.048340 0.029313 -0.005639 27O 1px -0.020257 0.034962 -0.030941 -0.033910 0.002596 0.050189 27O 1py 0.045035 -0.030431 0.003249 0.043579 0.044187 0.084280 27O 2pz 0.142147 -0.003916 -0.146803 0.142183 -0.120361 -0.005963 27O 2px 0.081313 -0.027931 -0.222500 0.192620 -0.023961 -0.027686 27O 2py -0.130125 0.071196 0.082082 -0.128177 -0.182404 -0.354739 27O 3pz -0.055683 0.151128 -0.053891 -0.083025 -0.065438 0.019820 27O 3px -0.084537 0.036178 -0.106932 -0.203536 -0.017968 -0.016685 27O 3py 0.085149 -0.096884 -0.005313 0.215364 0.145855 0.088506 27O 1dz2 -0.003530 -0.002620 0.002668 0.003545 0.001766 -0.002016 27O 1dxz 0.006092 0.002954 -0.010342 0.003039 -0.005492 -0.009146 27O 1dyz -0.002318 0.000461 -0.001910 0.000089 -0.002193 -0.000612 27O 1dx2y2 -0.002230 0.002977 -0.005550 0.000929 0.002396 0.006242 27O 1dxy -0.001800 -0.002255 0.005412 0.000963 -0.006985 -0.016485 27O 2dz2 0.013113 0.013978 -0.086289 0.050870 -0.010848 0.013374 27O 2dxz -0.084912 -0.017178 0.136127 -0.067618 0.131662 0.046723 27O 2dyz 0.029628 -0.003622 -0.056813 0.025117 -0.017832 0.018121 27O 2dx2y2 0.016595 0.003551 0.025126 -0.033056 0.105536 0.098603 27O 2dxy 0.030475 -0.007076 -0.076125 0.026195 0.089939 0.200318 27O 1f0 0.006565 0.004535 -0.006829 0.000682 -0.007016 -0.014456 27O 1f+1 0.009102 0.004261 -0.006632 -0.002049 -0.013917 -0.026876 27O 1f-1 -0.012419 -0.000983 0.019177 -0.004943 0.004612 0.011253 27O 1f+2 -0.008171 -0.004805 0.015718 -0.005362 0.005977 0.005940 27O 1f-2 0.012953 -0.002314 -0.019418 0.012211 0.006296 0.028849 27O 1f+3 -0.017275 -0.005402 0.030308 -0.008440 -0.010904 -0.023523 27O 1f-3 0.005584 0.001745 -0.013491 0.002512 -0.015846 -0.027258 28O 1s 0.004647 0.004922 -0.004437 -0.002354 -0.002536 -0.004611 28O 2s 0.015897 0.015567 -0.015349 -0.007808 -0.008141 -0.016370 28O 3s -0.126040 -0.106694 0.149129 0.046234 0.048849 0.145356 28O 4s 0.150646 0.107323 -0.421176 -0.023692 0.049550 -0.388580 28O 5s -0.126100 -0.486107 -0.113019 0.139920 0.301394 0.212818 28O 1pz 0.043494 0.136525 -0.036831 0.065142 -0.038356 0.021352 28O 1px 0.030444 0.028536 -0.028876 -0.011507 -0.035709 0.001683 28O 1py 0.056330 0.121090 -0.085910 0.030553 -0.032354 -0.019379 28O 2pz -0.146951 -0.343913 0.195392 -0.204430 0.102447 -0.048679 28O 2px -0.103628 -0.171564 -0.041947 0.091883 0.191417 -0.089248 28O 2py -0.207040 -0.397366 0.340307 -0.091597 0.103659 0.079130 28O 3pz 0.086667 0.531895 -0.122367 0.277867 -0.144025 0.115167 28O 3px 0.000134 -0.274317 -0.029305 -0.162408 0.114492 -0.074136 28O 3py 0.087877 0.170277 -0.107024 0.119601 -0.079490 0.107573 28O 1dz2 -0.002351 -0.005286 -0.000085 0.001736 0.007532 -0.005096 28O 1dxz 0.002891 -0.002851 0.002377 -0.002814 -0.001926 0.003142 28O 1dyz -0.001255 -0.007647 0.000543 0.002447 0.001556 -0.002241 28O 1dx2y2 0.003854 0.007304 -0.003540 -0.003694 -0.003818 0.000231 28O 1dxy 0.009010 0.009423 -0.012177 -0.001303 0.000551 -0.003358 28O 2dz2 0.098806 0.168879 -0.055404 -0.001110 -0.062195 0.040017 28O 2dxz 0.009350 0.088264 -0.026597 -0.031824 -0.009911 0.017100 28O 2dyz 0.144807 0.207218 -0.217041 0.005714 -0.098360 -0.026667 28O 2dx2y2 -0.064669 -0.125405 0.048975 0.017330 0.113345 -0.061192 28O 2dxy -0.083490 -0.134076 0.178312 -0.024652 0.002294 0.091787 28O 1f0 0.019612 0.053938 -0.042191 0.013194 0.021756 -0.017906 28O 1f+1 -0.004584 -0.003550 -0.007045 0.003487 0.015040 -0.011741 28O 1f-1 0.009857 0.026829 -0.014816 -0.005908 -0.020312 0.007324 28O 1f+2 -0.006535 -0.011788 0.015460 0.002885 0.020479 -0.006951 28O 1f-2 -0.019050 -0.031876 0.023220 -0.003133 0.020275 -0.002918 28O 1f+3 -0.004291 0.005619 -0.000399 0.006648 0.019881 -0.014582 28O 1f-3 -0.004718 -0.006356 0.015388 -0.004007 -0.029148 0.018940 29O 1s 0.031728 -0.017921 0.005115 0.043933 0.002280 -0.000119 29O 2s 0.127003 -0.072463 0.022645 0.172593 0.008594 -0.000251 29O 3s -1.360006 0.791482 -0.281023 -1.793108 -0.084730 -0.001244 29O 4s 2.962796 -1.771331 0.625627 3.971605 0.198323 -0.008102 29O 5s -0.435719 0.365346 0.200669 -1.503996 -0.155032 0.100255 29O 1pz 0.072514 -0.073509 0.035967 0.077881 -0.014606 -0.048523 29O 1px -0.156945 0.101677 -0.073356 -0.172070 -0.021660 -0.014744 29O 1py 0.219655 -0.120518 0.069111 0.244240 -0.011872 0.015204 29O 2pz -0.318952 0.327687 -0.143006 -0.350468 0.085961 0.249505 29O 2px 0.713034 -0.414077 0.260983 0.757241 0.084635 0.092528 29O 2py -1.032606 0.589029 -0.307032 -1.156821 -0.010991 -0.051724 29O 3pz -0.016997 -0.016167 0.019938 -0.116607 -0.005444 -0.020541 29O 3px 0.007239 -0.047451 -0.109180 0.335215 0.008169 -0.021774 29O 3py 0.010787 0.018009 -0.042581 0.130405 -0.017628 -0.009309 29O 1dz2 -0.023962 0.011304 -0.004670 -0.026875 -0.004170 -0.002492 29O 1dxz -0.012111 0.008909 -0.000664 -0.010277 -0.001057 0.005508 29O 1dyz 0.004674 0.002575 0.000404 0.004839 0.006175 0.006615 29O 1dx2y2 -0.006290 0.005966 -0.003647 -0.019052 0.001536 0.001397 29O 1dxy 0.004234 -0.002602 0.002619 0.006204 -0.005082 0.004826 29O 2dz2 0.280441 -0.213130 0.095607 0.330631 -0.026294 -0.075997 29O 2dxz 0.223747 -0.094150 0.059949 0.267800 0.034326 0.085958 29O 2dyz 0.078150 -0.080770 0.036690 0.086652 -0.029428 -0.091673 29O 2dx2y2 -0.076692 0.067287 -0.030451 -0.125860 0.013292 0.023283 29O 2dxy -0.367094 0.196824 -0.099495 -0.412185 -0.049140 -0.042733 29O 1f0 0.053116 -0.034246 0.013820 0.067900 0.001384 -0.008269 29O 1f+1 -0.022154 0.007669 -0.003574 -0.029091 -0.008279 -0.010975 29O 1f-1 0.059471 -0.039563 0.020905 0.071540 -0.006776 -0.008652 29O 1f+2 -0.026585 0.018260 -0.003385 -0.031661 -0.002821 0.007956 29O 1f-2 0.039550 -0.013330 0.009105 0.047015 0.012335 0.016784 29O 1f+3 -0.028259 0.015245 -0.004588 -0.028247 -0.004509 -0.005421 29O 1f-3 -0.018271 0.007276 -0.007757 -0.028338 0.008361 -0.013088 30O 1s -0.002479 -0.006743 -0.001756 0.003400 -0.003022 -0.000761 30O 2s -0.008762 -0.024583 -0.006448 0.010744 -0.011185 -0.003282 30O 3s 0.063622 0.209859 0.088263 -0.073582 0.113368 0.038246 30O 4s -0.174240 -0.442093 -0.307798 0.128305 -0.358676 -0.236031 30O 5s 0.614571 0.934707 -0.380772 -0.244124 0.051789 0.211246 30O 1pz 0.068598 0.026388 -0.071462 0.011270 -0.007960 0.009152 30O 1px -0.007219 -0.005830 -0.041595 0.038358 0.000313 0.047637 30O 1py -0.065816 -0.014519 0.054015 -0.023634 -0.000467 -0.071535 30O 2pz -0.243526 -0.091004 0.347020 -0.026768 0.061925 0.013546 30O 2px 0.009784 0.013334 0.018665 -0.108839 -0.089935 -0.204399 30O 2py 0.209970 0.036318 -0.262858 0.062021 -0.028698 0.257549 30O 3pz 0.218507 0.023952 -0.143301 0.062384 0.154468 0.090693 30O 3px 0.100801 0.184718 -0.050958 -0.132262 -0.026202 0.026059 30O 3py -0.301208 -0.138020 0.339906 -0.121891 -0.001838 -0.212728 30O 1dz2 -0.005442 -0.001236 0.010016 -0.002156 0.003662 0.002994 30O 1dxz 0.005653 -0.000249 -0.003326 -0.005165 0.001771 -0.005861 30O 1dyz -0.002366 -0.003598 -0.000083 -0.002216 0.001225 0.004668 30O 1dx2y2 0.002208 0.003096 -0.001561 0.003845 0.003147 0.005887 30O 1dxy -0.003147 0.003112 0.004386 0.007174 0.000601 -0.006367 30O 2dz2 0.051341 0.016193 -0.091754 0.005641 0.024440 -0.036811 30O 2dxz -0.023603 -0.013479 0.066368 0.011230 0.079957 0.113783 30O 2dyz -0.103756 -0.011010 0.147487 -0.029966 -0.018087 -0.092152 30O 2dx2y2 -0.085716 0.010794 0.144704 -0.069218 -0.001322 -0.137114 30O 2dxy -0.047639 -0.038546 0.070382 -0.010411 -0.031324 0.006734 30O 1f0 -0.004406 -0.004566 0.005431 -0.002947 0.009348 0.013864 30O 1f+1 -0.010877 -0.001281 0.011846 0.001228 0.010130 0.028784 30O 1f-1 0.000772 0.001445 0.002967 -0.001869 -0.020551 -0.039871 30O 1f+2 -0.003469 -0.000589 0.013889 -0.007218 -0.015123 -0.031804 30O 1f-2 0.005626 -0.003392 -0.000455 -0.003106 0.004617 0.002945 30O 1f+3 -0.009538 0.000701 0.005243 0.001273 0.000503 -0.002240 30O 1f-3 -0.020009 -0.011703 0.042542 -0.020574 0.010095 -0.002921 31O 1s -0.002593 -0.006563 0.000479 -0.003574 -0.003327 -0.000799 31O 2s -0.009161 -0.023975 0.001720 -0.011363 -0.012351 -0.003373 31O 3s 0.069432 0.212825 -0.046075 0.078228 0.124957 0.037889 31O 4s -0.197168 -0.477311 0.207030 -0.134074 -0.394947 -0.230770 31O 5s 0.572057 0.764780 0.571414 0.275774 0.082116 0.220864 31O 1pz -0.062771 -0.007390 -0.079107 0.010368 0.002793 -0.008896 31O 1px 0.010433 0.014156 -0.039750 0.039491 -0.003788 -0.048097 31O 1py 0.060941 -0.002927 0.060297 -0.023983 0.002618 0.073863 31O 2pz 0.214580 0.001751 0.368541 -0.022127 -0.049100 -0.013397 31O 2px -0.011179 -0.013714 0.021163 -0.114701 0.107872 0.202248 31O 2py -0.189477 0.036935 -0.277168 0.061898 0.026542 -0.267345 31O 3pz -0.205177 0.022782 -0.158638 0.062248 -0.165443 -0.093360 31O 3px -0.089216 -0.156665 -0.084189 -0.139079 0.010140 -0.027176 31O 3py 0.278870 0.046101 0.382116 -0.119590 0.027637 0.209742 31O 1dz2 -0.004631 0.001001 -0.010275 0.001989 0.002459 0.003258 31O 1dxz 0.005299 -0.001250 0.003240 0.005240 0.001574 -0.005868 31O 1dyz -0.002299 -0.003087 -0.000632 0.001972 0.001475 0.004568 31O 1dx2y2 0.001770 0.002473 0.002365 -0.003928 0.004131 0.005758 31O 1dxy -0.003144 0.003786 -0.003836 -0.007080 0.000482 -0.006377 31O 2dz2 0.041173 -0.007717 0.095302 -0.005218 0.029040 -0.038226 31O 2dxz -0.017703 0.002842 -0.066892 -0.013701 0.079615 0.116814 31O 2dyz -0.090999 0.026155 -0.152260 0.030330 -0.026729 -0.093637 31O 2dx2y2 -0.075370 0.044278 -0.147196 0.071530 -0.011385 -0.137802 31O 2dxy -0.041145 -0.022257 -0.079760 0.010638 -0.041062 0.011139 31O 1f0 0.003506 0.002522 0.006482 -0.002930 -0.008821 -0.014875 31O 1f+1 0.009443 -0.002468 0.011986 0.001548 -0.009603 -0.029310 31O 1f-1 -0.000526 -0.000840 0.002921 -0.002285 0.021551 0.040958 31O 1f+2 0.002541 -0.002115 0.014169 -0.007651 0.016818 0.032606 31O 1f-2 -0.005846 0.003304 -0.000312 -0.002954 -0.004633 -0.002910 31O 1f+3 0.009260 -0.002415 0.005659 0.001089 -0.000650 0.002422 31O 1f-3 0.016276 0.000902 0.045177 -0.020458 -0.008066 0.001897 32O 1s 0.031649 -0.017127 -0.007448 -0.044026 0.001000 0.000090 32O 2s 0.126868 -0.068694 -0.032035 -0.172951 0.003595 0.000490 32O 3s -1.361975 0.740321 0.382782 1.796700 -0.033130 -0.007476 32O 4s 2.968948 -1.654912 -0.856978 -3.979321 0.083257 0.005236 32O 5s -0.411891 0.428162 -0.124449 1.506546 -0.102739 0.081702 32O 1pz -0.069396 0.062877 0.046074 0.071773 0.020065 0.048673 32O 1px 0.162301 -0.085989 -0.086431 -0.174613 0.018349 0.014178 32O 1py -0.221830 0.107359 0.083243 0.244624 0.019223 -0.014062 32O 2pz 0.300788 -0.284025 -0.189019 -0.319379 -0.111210 -0.250070 32O 2px -0.732888 0.360339 0.311093 0.770016 -0.069937 -0.090312 32O 2py 1.043139 -0.529163 -0.378383 -1.160469 -0.023191 0.045683 32O 3pz 0.014901 0.007194 0.021495 -0.118433 0.001107 0.021404 32O 3px 0.001741 0.074224 -0.094642 0.334107 0.003913 0.017397 32O 3py -0.005357 -0.000150 -0.042293 0.131385 0.024451 0.006689 32O 1dz2 -0.024369 0.010083 0.005923 0.027101 -0.003685 -0.002731 32O 1dxz -0.012104 0.008256 0.001908 0.010115 -0.001016 0.005392 32O 1dyz 0.003498 0.003232 0.000749 -0.003520 0.006308 0.006613 32O 1dx2y2 -0.006520 0.004914 0.004543 0.018958 0.001803 0.001216 32O 1dxy 0.003982 -0.001750 -0.002660 -0.005654 -0.005112 0.004862 32O 2dz2 0.282092 -0.191581 -0.125013 -0.328904 -0.038335 -0.071191 32O 2dxz 0.229828 -0.084120 -0.068404 -0.274945 0.031306 0.088331 32O 2dyz 0.089714 -0.079703 -0.055411 -0.096364 -0.038764 -0.093079 32O 2dx2y2 -0.075617 0.059739 0.040395 0.122397 0.018911 0.025693 32O 2dxy -0.366379 0.175039 0.120596 0.410027 -0.039759 -0.040012 32O 1f0 -0.049922 0.029418 0.017088 0.063552 0.000496 0.007696 32O 1f+1 0.024831 -0.008189 -0.004876 -0.032629 0.008137 0.011469 32O 1f-1 -0.062095 0.036771 0.027117 0.074262 0.009762 0.008588 32O 1f+2 0.029511 -0.018764 -0.007216 -0.035227 0.001447 -0.007609 32O 1f-2 -0.038572 0.011221 0.009481 0.045974 -0.012030 -0.016809 32O 1f+3 0.026836 -0.014201 -0.005920 -0.026774 0.003716 0.004729 32O 1f-3 0.017837 -0.005747 -0.008010 -0.027614 -0.008609 0.013272 33O 1s 0.004364 0.003968 0.005394 0.002532 -0.002136 -0.004522 33O 2s 0.014842 0.012222 0.018317 0.008434 -0.006659 -0.016105 33O 3s -0.114494 -0.072823 -0.166842 -0.051413 0.036317 0.143837 33O 4s 0.112263 0.007217 0.417049 0.035320 0.082750 -0.389253 33O 5s -0.117772 -0.504042 0.007215 -0.173645 0.235637 0.210226 33O 1pz -0.046613 -0.130138 -0.065906 0.064949 0.050915 -0.024017 33O 1px -0.029746 -0.023827 -0.035804 -0.012239 0.039398 -0.003036 33O 1py -0.052872 -0.099514 -0.109626 0.030127 0.043678 0.017754 33O 2pz 0.146923 0.302835 0.264063 -0.204188 -0.141300 0.057623 33O 2px 0.113754 0.188972 0.007014 0.094274 -0.205353 0.095977 33O 2py 0.192939 0.315085 0.416746 -0.090949 -0.136263 -0.075962 33O 3pz -0.092619 -0.499028 -0.235123 0.274011 0.192299 -0.124830 33O 3px -0.000740 0.273275 0.031919 -0.153543 -0.106454 0.078151 33O 3py -0.092310 -0.146380 -0.147052 0.120088 0.112753 -0.116831 33O 1dz2 -0.002697 -0.005687 -0.001362 -0.001815 0.007896 -0.005278 33O 1dxz 0.002869 -0.002581 -0.002780 0.002910 -0.001838 0.003147 33O 1dyz -0.001043 -0.007195 -0.002058 -0.002507 0.001649 -0.002243 33O 1dx2y2 0.003891 0.006570 0.005135 0.003774 -0.005148 0.000662 33O 1dxy 0.008537 0.006774 0.013840 0.001261 -0.000306 -0.003218 33O 2dz2 0.100351 0.159196 0.093412 0.001574 -0.080669 0.046575 33O 2dxz 0.008706 0.081827 0.044964 0.031957 -0.009764 0.016134 33O 2dyz 0.137235 0.158971 0.258079 -0.005234 -0.115387 -0.023967 33O 2dx2y2 -0.066305 -0.117284 -0.079056 -0.018385 0.126242 -0.066829 33O 2dxy -0.074792 -0.092455 -0.200310 0.024105 0.006628 0.094829 33O 1f0 -0.018977 -0.046648 -0.052235 0.013582 -0.022067 0.019355 33O 1f+1 0.005335 0.005295 -0.005212 0.003615 -0.016538 0.012469 33O 1f-1 -0.009244 -0.023341 -0.020464 -0.006145 0.022363 -0.008289 33O 1f+2 0.005594 0.007893 0.017889 0.003167 -0.023525 0.008073 33O 1f-2 0.018040 0.026318 0.029908 -0.002876 -0.022683 0.003688 33O 1f+3 0.004113 -0.006205 -0.000794 0.006768 -0.022982 0.016254 33O 1f-3 0.004451 0.003839 0.015602 -0.004244 0.030292 -0.020422 34O 1s 0.002727 -0.000972 -0.001704 -0.003989 0.007879 0.002730 34O 2s 0.009578 -0.003967 -0.008368 -0.013257 0.027621 0.008123 34O 3s -0.070570 0.037943 0.146056 0.081431 -0.221449 -0.026241 34O 4s 0.123563 -0.127489 -0.550685 -0.105540 0.479726 0.024585 34O 5s -0.082776 0.488275 -0.047172 0.343225 -0.764432 -0.055921 34O 1pz 0.038722 -0.009357 0.037858 -0.048466 -0.025565 0.002527 34O 1px 0.020692 -0.026761 -0.036753 -0.033220 -0.004426 -0.051576 34O 1py -0.044118 0.027079 0.006358 0.044194 -0.047061 -0.085096 34O 2pz -0.132040 0.035991 -0.153056 0.142685 0.108284 0.016937 34O 2px -0.062488 0.071968 -0.219397 0.190503 0.013654 0.032803 34O 2py 0.122906 -0.079358 0.077227 -0.131640 0.197567 0.358655 34O 3pz 0.053559 -0.132439 -0.080774 -0.085457 0.078673 -0.021512 34O 3px 0.085965 -0.013970 -0.111946 -0.192906 -0.009752 0.023476 34O 3py -0.075104 0.086069 0.009509 0.214064 -0.171537 -0.082432 34O 1dz2 -0.003218 -0.001807 -0.003448 -0.003587 0.001908 -0.002056 34O 1dxz 0.004975 0.000031 0.010968 -0.002939 -0.004612 -0.009649 34O 1dyz -0.002605 0.000022 0.001780 -0.000066 -0.001925 -0.000478 34O 1dx2y2 -0.002533 0.002032 0.006216 -0.000856 0.002679 0.006075 34O 1dxy -0.001289 -0.000973 -0.006124 -0.000790 -0.007979 -0.016702 34O 2dz2 0.007304 -0.003926 0.089356 -0.050728 -0.004032 0.011377 34O 2dxz -0.073507 0.018576 -0.142590 0.067200 0.125180 0.054828 34O 2dyz 0.024041 -0.018180 0.056784 -0.025844 -0.012696 0.016283 34O 2dx2y2 0.019323 0.012124 -0.023587 0.031758 0.107996 0.101138 34O 2dxy 0.025784 -0.019637 0.077649 -0.028232 0.098926 0.204399 34O 1f0 -0.005555 -0.002427 -0.007844 0.000534 0.006198 0.015530 34O 1f+1 -0.007824 -0.001692 -0.007465 -0.002506 0.014032 0.027573 34O 1f-1 0.010652 -0.003996 0.019493 -0.004798 -0.004168 -0.011681 34O 1f+2 0.006885 0.000833 0.016998 -0.005437 -0.005332 -0.006814 34O 1f-2 -0.011805 0.006590 -0.019466 0.012592 -0.007269 -0.029214 34O 1f+3 0.014725 -0.001527 0.031733 -0.008677 0.013428 0.023713 34O 1f-3 -0.004284 0.002154 -0.013587 0.002157 0.015326 0.028037 35O 1s 0.000197 0.010985 0.005444 0.007773 -0.005663 0.006216 35O 2s -0.000151 0.036113 0.016227 0.026269 -0.018137 0.022314 35O 3s 0.032003 -0.220150 -0.037084 -0.194607 0.095372 -0.195993 35O 4s -0.124692 0.358154 -0.159454 0.356897 -0.104206 0.493822 35O 5s 0.029697 -1.491183 -0.931618 -0.784750 0.575498 -0.584743 35O 1pz 0.053712 0.058044 0.042214 0.011361 -0.098372 0.034270 35O 1px -0.058558 -0.004773 -0.016361 0.023261 0.019018 0.005492 35O 1py 0.019261 0.094981 0.034889 0.000563 0.038871 -0.029392 35O 2pz -0.185929 -0.251325 -0.205303 -0.063361 0.401029 -0.140357 35O 2px 0.072037 -0.200362 -0.276901 -0.114087 0.141355 0.018953 35O 2py -0.128260 -0.465624 -0.341702 -0.008360 -0.075754 0.124272 35O 3pz -0.107721 0.273386 0.271324 0.205817 -0.165431 0.073532 35O 3px -0.176569 -0.285282 -0.102049 -0.188431 0.066942 -0.076566 35O 3py -0.091302 0.085809 0.035711 0.049000 0.087123 0.080621 35O 1dz2 0.001298 -0.007001 -0.007144 -0.005312 0.010295 -0.000668 35O 1dxz 0.006156 0.008172 0.010164 0.005857 -0.013483 0.004825 35O 1dyz 0.006160 -0.001999 -0.004170 -0.002521 -0.009400 0.002554 35O 1dx2y2 -0.003157 -0.003492 -0.004183 0.004921 -0.011121 0.005352 35O 1dxy 0.007845 0.018089 0.016100 0.002144 0.003037 -0.003899 35O 2dz2 -0.004969 0.005442 0.003508 -0.016185 0.076682 -0.043416 35O 2dxz -0.076336 -0.070253 -0.075854 -0.029640 0.230525 -0.074347 35O 2dyz -0.055734 -0.122535 -0.114444 -0.026499 0.103004 -0.056244 35O 2dx2y2 0.055183 0.115729 0.071164 -0.051945 0.127129 -0.039951 35O 2dxy -0.076585 -0.224364 -0.220523 0.029948 -0.077289 0.112051 35O 1f0 0.003693 0.004348 0.018509 -0.009400 0.032238 -0.022722 35O 1f+1 0.027335 0.036534 0.056584 -0.006674 -0.017057 -0.007121 35O 1f-1 0.002649 -0.005293 0.002747 0.002116 -0.004839 -0.000179 35O 1f+2 -0.005168 0.001557 0.004120 0.003721 0.009642 -0.003281 35O 1f-2 0.019437 0.022112 0.018723 -0.002570 -0.024390 0.015018 35O 1f+3 0.010408 0.029213 0.023601 -0.003561 0.012333 -0.006512 35O 1f-3 0.000376 -0.003981 -0.012896 0.006028 -0.029152 0.020289 558 559 560 561 562 563 3.74932 3.75464 3.76113 3.81401 3.81675 3.82746 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s 0.001074 -0.001431 0.002108 0.001301 0.001387 0.000026 0Rh 2s -0.008002 0.012473 -0.015649 -0.010346 -0.011334 0.000150 0Rh 3s 0.001573 -0.001012 0.003130 0.001524 0.001442 0.000247 0Rh 4s 0.044066 -0.068527 0.086267 0.057170 0.062579 -0.000753 0Rh 5s -0.092367 0.151632 -0.181072 -0.124041 -0.136808 0.002632 0Rh 6s 0.057428 -0.131528 0.113442 0.094427 0.108816 -0.006282 0Rh 7s 0.028364 0.070719 0.185479 0.005813 -0.022761 0.067184 0Rh 8s -0.178326 0.011908 -0.067010 -0.038240 -0.158143 0.080961 0Rh 1pz 0.003037 0.002008 0.003026 -0.005794 -0.002145 -0.003205 0Rh 1px -0.002061 -0.000152 -0.004619 -0.003017 -0.003216 -0.001371 0Rh 1py 0.000784 -0.000502 -0.003577 -0.002772 0.006835 -0.000924 0Rh 2pz -0.011796 -0.007781 -0.011909 0.022152 0.008191 0.012390 0Rh 2px 0.008282 0.000514 0.018370 0.011803 0.012516 0.005357 0Rh 2py -0.003049 0.001988 0.013878 0.010731 -0.026280 0.003575 0Rh 3pz 0.026193 0.016708 0.029329 -0.041115 -0.014880 -0.025809 0Rh 3px -0.024052 0.000361 -0.049203 -0.027497 -0.027800 -0.012291 0Rh 3py 0.006650 -0.005085 -0.030220 -0.022549 0.051696 -0.007323 0Rh 4pz -0.012878 -0.004651 -0.023135 -0.014662 -0.007374 0.003819 0Rh 4px 0.033379 -0.005633 0.053015 0.015920 0.010905 0.005591 0Rh 4py -0.001664 0.004169 0.010802 0.003209 0.005561 -0.000708 0Rh 5pz -0.003938 -0.020631 0.007482 0.096565 0.040823 0.030314 0Rh 5px -0.050260 0.010127 -0.045640 0.007495 0.017015 0.014787 0Rh 5py -0.006746 0.002403 0.021863 0.031032 -0.094774 0.013549 0Rh 6pz -0.062785 0.194753 -0.061357 -0.081030 -0.069645 0.040591 0Rh 6px 0.500827 0.062670 0.295550 0.057458 0.135543 -0.255571 0Rh 6py 0.136669 -0.074151 -0.074404 -0.046411 0.056655 0.130586 0Rh 1dz2 0.044007 -0.142123 -0.015841 0.133951 0.016663 -0.065883 0Rh 1dxz 0.067761 -0.035816 0.005390 -0.053296 -0.039397 -0.073666 0Rh 1dyz -0.073113 0.080943 0.044426 -0.047928 -0.018140 0.019083 0Rh 1dx2y2 0.043908 -0.077367 -0.022758 0.022239 -0.068083 -0.071402 0Rh 1dxy 0.002087 -0.030002 -0.042039 -0.038031 0.101440 -0.043785 0Rh 2dz2 0.006228 -0.022524 -0.002780 0.019209 0.002029 -0.012572 0Rh 2dxz 0.009912 -0.005114 -0.000574 -0.006378 -0.005922 -0.010485 0Rh 2dyz -0.013968 0.011537 0.007408 -0.008653 -0.000482 0.000727 0Rh 2dx2y2 0.006592 -0.012085 -0.002072 0.004527 -0.008500 -0.011236 0Rh 2dxy -0.001164 -0.005093 -0.004769 -0.005071 0.014052 -0.006922 0Rh 3dz2 -0.186654 0.615802 0.069819 -0.576346 -0.070082 0.299069 0Rh 3dxz -0.289672 0.152858 -0.016633 0.223423 0.170956 0.317659 0Rh 3dyz 0.328852 -0.344676 -0.194780 0.214669 0.068042 -0.072423 0Rh 3dx2y2 -0.188080 0.334227 0.091466 -0.101973 0.287068 0.312624 0Rh 3dxy -0.001577 0.131714 0.173356 0.162026 -0.434719 0.192256 0Rh 4dz2 0.227813 -0.803661 -0.090735 0.751959 0.090429 -0.425174 0Rh 4dxz 0.370310 -0.195032 0.007769 -0.280236 -0.226407 -0.417568 0Rh 4dyz -0.472864 0.438282 0.265421 -0.298678 -0.065903 0.066895 0Rh 4dx2y2 0.237001 -0.431801 -0.104518 0.144081 -0.363324 -0.420425 0Rh 4dxy -0.021732 -0.175997 -0.206060 -0.209894 0.566664 -0.263474 0Rh 5dz2 0.014514 0.549105 0.032843 -0.474112 -0.072735 0.438454 0Rh 5dxz -0.218245 0.115450 0.069892 0.145953 0.166626 0.271040 0Rh 5dyz 0.761093 -0.266883 -0.305388 0.281401 -0.085125 0.168935 0Rh 5dx2y2 -0.097637 0.257174 -0.020021 -0.126610 0.179999 0.322610 0Rh 5dxy 0.219640 0.133598 0.016692 0.140096 -0.385802 0.261135 0Rh 1f0 0.001035 -0.012093 0.003380 -0.013818 -0.000656 0.008620 0Rh 1f+1 0.010083 -0.005508 0.000711 -0.003942 -0.004673 -0.015920 0Rh 1f-1 0.002088 0.007187 0.001084 0.008296 -0.004851 -0.001950 0Rh 1f+2 -0.006294 0.003201 0.000876 0.006660 -0.006757 0.004516 0Rh 1f-2 0.001450 -0.001657 -0.000864 -0.006854 0.007705 0.001733 0Rh 1f+3 -0.009667 -0.013799 0.008441 -0.009527 -0.006238 0.012832 0Rh 1f-3 -0.001506 0.005221 -0.004524 -0.006198 0.008923 0.006845 1Rh 1s -0.000988 -0.001539 -0.002135 -0.001263 -0.001431 -0.000028 1Rh 2s 0.007238 0.013301 0.015884 0.010006 0.011754 -0.000144 1Rh 3s -0.001526 -0.001156 -0.003151 -0.001501 -0.001452 -0.000254 1Rh 4s -0.039870 -0.073083 -0.087557 -0.055295 -0.064888 0.000715 1Rh 5s 0.082989 0.161272 0.183924 0.119841 0.142097 -0.002601 1Rh 6s -0.048836 -0.137922 -0.115901 -0.090653 -0.114139 0.006526 1Rh 7s -0.041405 0.067027 -0.184842 -0.008884 0.034568 -0.071383 1Rh 8s 0.185729 0.026973 0.068865 0.038100 0.158301 -0.079635 1Rh 1pz 0.002761 -0.001679 0.002781 -0.005751 -0.002180 -0.003133 1Rh 1px -0.002111 -0.000034 -0.004694 -0.003029 -0.003240 -0.001324 1Rh 1py 0.000561 0.000613 -0.003487 -0.002689 0.006697 -0.000911 1Rh 2pz -0.010739 0.006508 -0.010971 0.021995 0.008336 0.012082 1Rh 2px 0.008475 0.000230 0.018661 0.011850 0.012608 0.005172 1Rh 2py -0.002188 -0.002417 0.013529 0.010408 -0.025745 0.003528 1Rh 3pz 0.024196 -0.013955 0.027508 -0.040936 -0.015419 -0.024563 1Rh 3px -0.024443 -0.002508 -0.049810 -0.027649 -0.027912 -0.011788 1Rh 3py 0.004838 0.005977 -0.029497 -0.021816 0.050565 -0.007231 1Rh 4pz -0.013237 0.003553 -0.023186 -0.014079 -0.006208 0.000966 1Rh 4px 0.033435 0.008481 0.053171 0.016182 0.010526 0.005013 1Rh 4py -0.000970 -0.004228 0.010735 0.002808 0.005867 -0.000671 1Rh 5pz -0.001085 0.019569 0.009037 0.095010 0.038518 0.035734 1Rh 5px -0.049939 -0.013992 -0.045392 0.007119 0.018482 0.015309 1Rh 5py -0.007622 -0.003746 0.020511 0.030991 -0.094076 0.013253 1Rh 6pz -0.039369 -0.196733 -0.027932 -0.082391 -0.064185 0.028915 1Rh 6px 0.504147 -0.024469 0.303827 0.057058 0.125944 -0.253576 1Rh 6py 0.180683 0.084735 -0.062263 -0.048706 0.065760 0.128956 1Rh 1dz2 -0.025619 -0.143509 0.018900 -0.135082 -0.015884 0.064238 1Rh 1dxz -0.063133 -0.042540 -0.009021 0.052757 0.038392 0.076300 1Rh 1dyz 0.064801 0.086912 -0.045061 0.048584 0.018171 -0.019560 1Rh 1dx2y2 -0.030936 -0.080137 0.022284 -0.023376 0.067978 0.072464 1Rh 1dxy -0.006329 -0.030828 0.040786 0.038665 -0.102231 0.043649 1Rh 2dz2 -0.003305 -0.022685 0.003271 -0.019387 -0.001905 0.012290 1Rh 2dxz -0.009184 -0.006052 0.000009 0.006301 0.005752 0.010903 1Rh 2dyz 0.012830 0.012707 -0.007472 0.008725 0.000468 -0.000789 1Rh 2dx2y2 -0.004520 -0.012506 0.002008 -0.004709 0.008479 0.011408 1Rh 2dxy 0.000521 -0.005084 0.004565 0.005163 -0.014189 0.006905 1Rh 3dz2 0.107009 0.621490 -0.083117 0.581284 0.066675 -0.291760 1Rh 3dxz 0.269644 0.181409 0.032347 -0.221104 -0.166501 -0.329214 1Rh 3dyz -0.293705 -0.371693 0.197364 -0.217383 -0.068083 0.074447 1Rh 3dx2y2 0.131874 0.346114 -0.089461 0.106959 -0.286589 -0.317290 1Rh 3dxy 0.019814 0.134596 -0.167893 -0.164761 0.438241 -0.191678 1Rh 4dz2 -0.124090 -0.809768 0.108288 -0.758542 -0.085891 0.415120 1Rh 4dxz -0.344423 -0.231183 -0.028491 0.277236 0.220271 0.433214 1Rh 4dyz 0.428696 0.477676 -0.268561 0.302008 0.065724 -0.069478 1Rh 4dx2y2 -0.163923 -0.446734 0.101914 -0.150790 0.362671 0.426735 1Rh 4dxy -0.002067 -0.177577 0.198781 0.213517 -0.571551 0.262728 1Rh 5dz2 -0.084172 0.538244 -0.046014 0.478781 0.069515 -0.430093 1Rh 5dxz 0.202648 0.135334 -0.053461 -0.144444 -0.161101 -0.283500 1Rh 5dyz -0.735119 -0.334383 0.307961 -0.282986 0.085993 -0.167674 1Rh 5dx2y2 0.050133 0.262156 0.022293 0.131733 -0.179978 -0.327466 1Rh 5dxy -0.199886 0.116331 -0.010363 -0.142901 0.390166 -0.260716 1Rh 1f0 0.000648 0.012233 0.002817 -0.013779 -0.000637 0.009073 1Rh 1f+1 0.010391 0.006548 -0.000156 -0.004072 -0.005073 -0.015110 1Rh 1f-1 0.004130 -0.007026 0.001706 0.008044 -0.004665 -0.001779 1Rh 1f+2 -0.005079 -0.003653 0.001119 0.006725 -0.006410 0.003918 1Rh 1f-2 0.000441 0.001659 -0.000806 -0.006684 0.007788 0.001447 1Rh 1f+3 -0.010168 0.013164 0.008682 -0.009658 -0.006344 0.013190 1Rh 1f-3 -0.002830 -0.005290 -0.005187 -0.006099 0.008795 0.006994 2C 1s -0.002682 -0.002449 0.000355 0.008040 -0.000902 0.005938 2C 2s -0.006008 -0.005638 0.001388 0.024502 -0.003131 0.017943 2C 3s 0.004845 -0.020118 -0.028985 -0.334270 0.078560 -0.213081 2C 4s 0.225985 0.242420 0.170433 0.825796 -0.321844 0.323593 2C 5s -0.357383 -0.295352 -0.182776 -0.305837 -0.241359 0.119365 2C 1pz 0.042283 0.015542 0.015635 -0.197515 0.036735 -0.132912 2C 1px 0.071759 0.010407 0.017988 -0.041483 0.007592 -0.017137 2C 1py 0.037264 -0.002025 -0.022289 -0.098929 0.022268 -0.095477 2C 2pz 0.217795 0.207577 0.407986 0.739152 -0.072641 0.750242 2C 2px -0.262206 -0.198088 -0.300569 -0.288256 -0.052860 -0.660621 2C 2py -0.306422 -0.280857 -0.311402 0.783348 -0.376264 0.004455 2C 3pz -0.086610 -0.018094 -0.103541 0.059948 -0.070866 0.027452 2C 3px -0.171117 0.029327 0.035110 0.004381 0.029221 0.034525 2C 3py -0.088980 -0.099483 0.074033 -0.063567 -0.048366 0.104861 2C 1dz2 -0.105173 -0.097619 -0.089334 -0.050147 -0.032644 -0.146934 2C 1dxz 0.145294 0.018560 0.004439 0.171490 -0.035875 0.137805 2C 1dyz 0.063700 0.001710 -0.022761 -0.201953 0.030124 -0.195126 2C 1dx2y2 -0.085398 -0.113042 -0.166381 0.034506 -0.074706 -0.155339 2C 1dxy 0.226580 0.100718 0.201686 -0.103693 0.060872 0.151372 2C 2dz2 0.199000 0.193860 0.196555 0.411256 0.028142 0.479173 2C 2dxz -0.594111 -0.128949 -0.170381 0.072454 -0.039961 -0.134024 2C 2dyz -0.115827 -0.104147 -0.010938 0.621522 -0.172520 0.346518 2C 2dx2y2 0.206153 0.105948 0.049053 -0.262963 0.106457 -0.160963 2C 2dxy -0.341852 -0.075501 -0.136901 0.011914 -0.004101 -0.143768 2C 1f0 0.227510 0.050111 0.112299 0.078627 0.041270 0.144567 2C 1f+1 -0.260811 -0.170637 -0.174194 0.169783 -0.077818 -0.034113 2C 1f-1 -0.091560 -0.065428 -0.027859 0.325040 -0.046451 0.202182 2C 1f+2 -0.065975 -0.165964 -0.083055 -0.068456 0.028182 -0.146672 2C 1f-2 -0.160797 0.010563 -0.016282 -0.126009 0.022110 -0.100857 2C 1f+3 -0.144012 0.087470 0.053561 0.087998 0.003881 0.148021 2C 1f-3 0.105290 -0.010047 0.086703 0.100949 0.001888 0.144612 3C 1s 0.000814 0.004412 -0.002720 0.001087 0.010117 -0.000365 3C 2s 0.001381 0.010907 -0.007153 0.003906 0.030606 -0.000955 3C 3s 0.044017 -0.018523 0.060516 -0.100834 -0.388781 -0.012422 3C 4s -0.390734 -0.144702 -0.049276 0.443326 0.810019 0.138457 3C 5s -0.111941 0.209815 -0.202761 -0.102367 -0.121775 0.109789 3C 1pz 0.007464 -0.020741 0.005088 -0.032799 -0.119893 0.007807 3C 1px -0.037839 -0.005631 0.053889 -0.015258 -0.077977 -0.005814 3C 1py -0.000999 0.031708 -0.068834 0.026714 0.242659 0.004530 3C 2pz -0.136761 0.105909 -0.246193 0.231796 0.962331 0.074469 3C 2px -0.015915 0.252634 -0.804250 -0.235206 -0.134147 0.603769 3C 2py 0.206593 -0.067354 -0.175783 -0.369706 -0.802520 0.193184 3C 3pz -0.078674 0.114062 0.011611 0.052941 0.004941 -0.009083 3C 3px 0.156410 0.017774 -0.016673 0.099853 0.021801 -0.025538 3C 3py 0.030706 0.008460 0.095550 0.058000 -0.086098 -0.077123 3C 1dz2 0.044296 -0.023712 -0.090468 -0.040989 0.021065 0.044665 3C 1dxz -0.008223 -0.087936 0.322654 0.122285 0.057611 -0.229859 3C 1dyz -0.006327 -0.008317 -0.012641 0.053030 0.339028 -0.044966 3C 1dx2y2 -0.040141 -0.025347 0.180246 0.046803 0.022313 -0.103308 3C 1dxy 0.111187 0.032324 -0.117143 0.006919 -0.027372 0.040663 3C 2dz2 -0.088336 0.057769 0.067290 0.049094 -0.003256 -0.001065 3C 2dxz 0.136464 0.108661 -0.405263 0.006720 0.197968 0.141110 3C 2dyz 0.155277 -0.102154 -0.039003 -0.172121 -0.703903 0.065862 3C 2dx2y2 0.095796 0.009052 -0.155944 -0.145234 -0.587926 0.159287 3C 2dxy -0.213779 -0.145966 0.565285 0.019186 -0.230159 -0.248015 3C 1f0 -0.052484 0.014841 -0.008390 -0.057539 -0.256049 0.058792 3C 1f+1 -0.052156 -0.017973 0.190378 0.051702 0.034028 -0.080150 3C 1f-1 0.013576 0.015976 0.008781 -0.053270 -0.170950 0.011177 3C 1f+2 0.069985 0.012409 -0.096342 -0.030905 -0.102736 0.039064 3C 1f-2 -0.074675 0.100364 0.095533 -0.035361 -0.074150 -0.028219 3C 1f+3 0.078163 0.149184 -0.343373 -0.041866 0.229918 0.125888 3C 1f-3 0.099205 -0.049325 -0.119875 -0.051294 -0.320621 0.083593 4C 1s -0.006932 -0.002358 -0.001266 0.011931 -0.001414 0.010695 4C 2s -0.020524 -0.006298 -0.003117 0.035020 -0.004384 0.030584 4C 3s 0.112917 0.072531 0.002453 -0.198509 0.049908 -0.170307 4C 4s 0.351375 -0.080810 0.113574 -0.560497 -0.043142 -0.444139 4C 5s 0.447491 -0.104599 0.182491 0.120825 0.031753 0.006443 4C 1pz -0.082147 -0.020246 0.007753 0.185233 -0.005176 0.182174 4C 1px -0.106750 -0.024020 -0.029501 -0.020873 -0.005475 -0.050768 4C 1py -0.122117 -0.006919 -0.036656 0.130385 -0.029933 0.087657 4C 2pz -0.082904 0.058181 -0.027174 0.558982 -0.361393 0.085182 4C 2px 0.862967 0.178685 0.349968 0.442896 0.013908 0.254463 4C 2py 0.470530 -0.002891 0.274744 0.346918 -0.021719 0.154625 4C 3pz -0.116273 -0.349760 0.018651 -0.518469 -0.164286 -0.172229 4C 3px -0.005834 -0.098785 -0.019211 -0.022411 0.020164 0.004114 4C 3py -0.049942 -0.025672 -0.039114 -0.308630 -0.047794 -0.117150 4C 1dz2 0.081837 -0.084241 0.000537 -0.039160 -0.014774 -0.064397 4C 1dxz -0.090076 -0.045631 -0.001068 -0.090431 0.008922 -0.073517 4C 1dyz 0.076836 0.082378 0.033308 -0.107701 0.021516 -0.071349 4C 1dx2y2 0.022065 -0.044060 0.017260 0.035052 -0.012110 0.028510 4C 1dxy -0.018881 -0.000676 -0.022903 -0.003090 -0.009129 -0.101775 4C 2dz2 0.202419 0.311089 0.129492 -0.198452 0.170532 0.297828 4C 2dxz -0.386546 -0.114567 -0.304111 -0.127760 0.061457 -0.443921 4C 2dyz -0.042750 -0.185780 -0.147414 -0.127943 0.018417 -0.136037 4C 2dx2y2 -0.038989 0.043746 -0.039423 0.212492 -0.109760 -0.068607 4C 2dxy -0.263470 -0.075138 0.054000 -0.216318 0.035039 -0.098604 4C 1f0 0.113316 0.127471 0.133768 -0.093621 0.032705 0.117144 4C 1f+1 -0.188027 -0.165037 -0.130357 0.105136 -0.008047 -0.055360 4C 1f-1 0.020900 -0.025126 -0.112636 -0.116488 -0.029782 -0.217214 4C 1f+2 -0.190353 0.006316 -0.121417 0.048450 -0.088832 -0.064221 4C 1f-2 -0.052885 0.187416 0.107990 -0.037174 0.016453 0.106065 4C 1f+3 -0.064876 -0.024741 0.126860 -0.208888 0.097694 0.060953 4C 1f-3 -0.234005 0.111726 -0.070698 -0.026402 -0.019719 0.055838 5C 1s 0.003438 0.002572 -0.005637 0.000389 0.016261 -0.000799 5C 2s 0.009464 0.007876 -0.016628 0.001853 0.047355 -0.001801 5C 3s -0.009391 -0.126883 0.102318 -0.020734 -0.272509 -0.020989 5C 4s -0.331712 0.230195 0.207882 -0.028096 -0.714107 0.161468 5C 5s -0.196516 0.164630 0.188172 0.090319 0.047239 -0.100561 5C 1pz 0.019431 -0.003959 -0.048954 0.015396 0.184954 -0.004594 5C 1px 0.089108 0.021168 -0.130707 -0.015065 0.043016 0.048553 5C 1py -0.039765 -0.033253 0.056368 -0.013408 -0.241464 0.024782 5C 2pz -0.133272 0.131578 -0.100615 0.116549 0.103705 0.002766 5C 2px -0.562415 0.167736 0.773140 0.225452 0.449521 -0.044814 5C 2py 0.311816 -0.023246 0.253739 -0.334064 -0.576040 -0.197641 5C 3pz -0.061482 -0.008114 0.008305 -0.052762 -0.302890 0.094266 5C 3px -0.105820 0.074157 -0.011220 -0.077745 -0.124097 0.005356 5C 3py 0.182703 -0.326229 -0.001037 0.006300 0.485378 -0.126189 5C 1dz2 0.040175 -0.078629 0.017481 0.005155 0.034682 -0.055009 5C 1dxz 0.027816 -0.041091 -0.032800 -0.041238 -0.068917 0.052789 5C 1dyz 0.054884 0.061698 -0.082619 -0.007788 0.097496 0.014181 5C 1dx2y2 0.038521 -0.045139 -0.041305 0.006537 0.085959 0.024368 5C 1dxy -0.046791 0.004550 0.020444 -0.015379 0.125571 -0.020633 5C 2dz2 -0.111892 0.070447 0.027975 -0.038784 0.072267 0.018029 5C 2dxz 0.259894 0.044809 -0.043973 -0.016976 -0.218514 -0.058846 5C 2dyz 0.039707 -0.047732 -0.175950 0.009801 0.061693 0.132241 5C 2dx2y2 -0.093331 0.282266 -0.306792 0.089823 0.077182 0.259879 5C 2dxy -0.231256 -0.133659 0.468852 0.329734 0.284803 -0.382943 5C 1f0 -0.036480 0.037403 -0.090442 -0.054989 0.230255 0.099523 5C 1f+1 0.143013 -0.179663 -0.068702 0.058831 0.050516 -0.083791 5C 1f-1 0.071776 -0.125463 0.034186 0.100647 0.093129 -0.051891 5C 1f+2 0.113770 0.105148 -0.042288 0.028657 0.070663 -0.085501 5C 1f-2 -0.043325 0.005087 -0.201056 -0.047294 0.005035 0.121000 5C 1f+3 0.093522 0.015008 -0.284661 -0.113548 -0.036879 0.128276 5C 1f-3 0.015269 -0.036035 -0.079363 0.024534 0.029004 0.050632 6C 1s -0.003805 0.002172 0.005676 -0.000408 -0.016413 0.000741 6C 2s -0.010578 0.006788 0.016727 -0.001910 -0.047760 0.001636 6C 3s 0.026755 -0.125032 -0.101730 0.020384 0.274473 0.021001 6C 4s 0.304223 0.266363 -0.216483 0.030381 0.715972 -0.150530 6C 5s 0.172920 0.174819 -0.199567 -0.085869 -0.055817 0.111963 6C 1pz 0.019754 0.005892 -0.049958 0.015546 0.185763 -0.003379 6C 1px 0.088837 -0.013223 -0.127574 -0.014925 0.041214 0.049995 6C 1py -0.046353 0.029216 0.057298 -0.013640 -0.243163 0.023742 6C 2pz -0.111510 -0.145039 -0.097068 0.113357 0.103421 0.001631 6C 2px -0.563175 -0.215064 0.757079 0.226733 0.460245 -0.055692 6C 2py 0.319323 0.054525 0.250999 -0.330398 -0.573237 -0.199667 6C 3pz -0.057211 -0.005620 0.017725 -0.058414 -0.306721 0.090449 6C 3px -0.089813 -0.086384 -0.003910 -0.081681 -0.128057 0.006752 6C 3py 0.127741 0.352286 -0.018185 0.017497 0.491641 -0.121188 6C 1dz2 -0.032259 -0.082707 -0.016759 -0.006048 -0.035849 0.056012 6C 1dxz -0.022443 -0.044300 0.032005 0.041279 0.069248 -0.052752 6C 1dyz -0.064283 0.056384 0.082162 0.008519 -0.098137 -0.015892 6C 1dx2y2 -0.031361 -0.049157 0.041651 -0.007269 -0.085508 -0.025355 6C 1dxy 0.045421 0.008455 -0.020102 0.014929 -0.126857 0.021094 6C 2dz2 0.106186 0.082368 -0.022454 0.039613 -0.073402 -0.022276 6C 2dxz -0.267777 0.021316 0.036277 0.014209 0.221310 0.060619 6C 2dyz -0.024587 -0.053188 0.170093 -0.011251 -0.058595 -0.132942 6C 2dx2y2 0.064998 0.292265 0.293888 -0.086891 -0.072077 -0.260578 6C 2dxy 0.232034 -0.109082 -0.449521 -0.326514 -0.294991 0.389224 6C 1f0 -0.040768 -0.039449 -0.090622 -0.054317 0.231033 0.102607 6C 1f+1 0.127929 0.193140 -0.068937 0.059673 0.050491 -0.084380 6C 1f-1 0.058865 0.131625 0.032281 0.101908 0.093872 -0.053948 6C 1f+2 0.134833 -0.095040 -0.041848 0.027729 0.073020 -0.086410 6C 1f-2 -0.045505 -0.009164 -0.196796 -0.047831 0.000911 0.125313 6C 1f+3 0.091792 -0.007255 -0.279507 -0.113804 -0.038647 0.133238 6C 1f-3 0.007991 0.037530 -0.078398 0.024165 0.028516 0.051426 7C 1s 0.007298 -0.001573 0.001342 -0.011943 0.001775 -0.010700 7C 2s 0.021520 -0.003959 0.003333 -0.035062 0.005400 -0.030602 7C 3s -0.124835 0.054802 -0.005623 0.199564 -0.055270 0.172658 7C 4s -0.338060 -0.099728 -0.105601 0.557988 0.030448 0.432772 7C 5s -0.430524 -0.139921 -0.175296 -0.126822 -0.034830 -0.014419 7C 1pz -0.089535 0.011481 0.006033 0.186024 -0.010450 0.181646 7C 1px -0.101914 0.013455 -0.025456 -0.023108 -0.004582 -0.049382 7C 1py -0.118228 -0.005138 -0.035778 0.129911 -0.033637 0.086937 7C 2pz -0.060322 -0.079995 -0.026891 0.558325 -0.345356 0.081986 7C 2px 0.850913 -0.105248 0.342213 0.448169 0.019267 0.237912 7C 2py 0.435741 0.034087 0.269459 0.356876 -0.006259 0.156578 7C 3pz -0.160740 0.329852 -0.001241 -0.508005 -0.162580 -0.162658 7C 3px -0.019179 0.094782 -0.020595 -0.018732 0.020095 0.007599 7C 3py -0.053028 0.016956 -0.050787 -0.304573 -0.047395 -0.110595 7C 1dz2 -0.072027 -0.092911 -0.000003 0.036856 0.013376 0.065292 7C 1dxz 0.094093 -0.038285 0.000837 0.090466 -0.009540 0.071665 7C 1dyz -0.084924 0.074307 -0.033694 0.108727 -0.025882 0.071862 7C 1dx2y2 -0.016107 -0.045993 -0.017456 -0.036369 0.012029 -0.027933 7C 1dxy 0.015209 0.001124 0.021493 0.003548 0.007903 0.100902 7C 2dz2 -0.207601 0.285745 -0.116998 0.196502 -0.161734 -0.297693 7C 2dxz 0.346983 -0.075665 0.276701 0.139907 -0.062866 0.436322 7C 2dyz 0.050967 -0.185632 0.145071 0.127226 -0.009986 0.135074 7C 2dx2y2 0.028907 0.059023 0.038159 -0.214937 0.102007 0.065308 7C 2dxy 0.259258 -0.043128 -0.063494 0.226357 -0.042314 0.090112 7C 1f0 0.112300 -0.116557 0.130711 -0.096458 0.033299 0.118758 7C 1f+1 -0.193634 0.152171 -0.127685 0.108348 -0.013667 -0.057565 7C 1f-1 0.032537 0.028542 -0.108271 -0.117532 -0.026855 -0.216961 7C 1f+2 -0.172905 -0.025317 -0.118390 0.047783 -0.089528 -0.063515 7C 1f-2 -0.037665 -0.192153 0.104701 -0.038260 0.016046 0.104779 7C 1f+3 -0.086676 0.019913 0.122472 -0.208835 0.100016 0.066635 7C 1f-3 -0.211085 -0.132474 -0.068656 -0.031793 -0.022741 0.057476 8C 1s -0.001392 0.004239 0.002734 -0.001062 -0.010174 0.000300 8C 2s -0.002767 0.010529 0.007198 -0.003850 -0.030776 0.000787 8C 3s -0.044725 -0.022572 -0.060841 0.100399 0.390454 0.012931 8C 4s 0.424029 -0.101882 0.049569 -0.440344 -0.811301 -0.135349 8C 5s 0.072613 0.232959 0.190844 0.111424 0.128643 -0.110691 8C 1pz 0.004378 0.021148 0.005518 -0.032978 -0.120530 0.007853 8C 1px -0.039920 0.002122 0.053621 -0.015113 -0.078295 -0.006599 8C 1py 0.001547 -0.031349 -0.069110 0.026525 0.243492 0.005649 8C 2pz -0.131828 -0.122593 -0.254044 0.226851 0.966276 0.082988 8C 2px -0.007628 -0.250611 -0.771960 -0.234162 -0.156845 0.614332 8C 2py 0.192942 0.082399 -0.164639 -0.367903 -0.814241 0.198552 8C 3pz -0.059429 -0.122045 0.014189 0.052028 0.004089 -0.010933 8C 3px 0.162968 -0.005842 -0.019109 0.097764 0.023691 -0.025746 8C 3py 0.031583 -0.001893 0.092339 0.059773 -0.083247 -0.079333 8C 1dz2 -0.039787 -0.028470 0.085539 0.039027 -0.021594 -0.043235 8C 1dxz 0.009418 -0.086024 -0.313196 -0.122329 -0.062832 0.235048 8C 1dyz 0.008151 -0.006859 0.015625 -0.053150 -0.342590 0.044788 8C 1dx2y2 0.037842 -0.021772 -0.174244 -0.046764 -0.024362 0.104832 8C 1dxy -0.116227 0.022152 0.113162 -0.007013 0.030866 -0.041154 8C 2dz2 0.080989 0.067991 -0.062831 -0.047930 0.002592 -0.000071 8C 2dxz -0.148978 0.095465 0.396076 -0.005808 -0.195521 -0.144591 8C 2dyz -0.145816 -0.115414 0.030953 0.170962 0.709250 -0.063909 8C 2dx2y2 -0.091119 0.001394 0.144971 0.144874 0.594977 -0.161123 8C 2dxy 0.228360 -0.125175 -0.552129 -0.019065 0.224236 0.254573 8C 1f0 -0.056701 -0.020618 -0.003084 -0.058225 -0.258329 0.058697 8C 1f+1 -0.049424 0.011742 0.184572 0.052197 0.039748 -0.083358 8C 1f-1 0.017298 -0.015820 0.009482 -0.054412 -0.171843 0.011502 8C 1f+2 0.074813 -0.003202 -0.094440 -0.031428 -0.105810 0.041049 8C 1f-2 -0.064571 -0.108296 0.092586 -0.036121 -0.070212 -0.028665 8C 1f+3 0.092650 -0.142257 -0.337273 -0.043015 0.230569 0.131176 8C 1f-3 0.094415 0.055611 -0.114740 -0.050604 -0.323242 0.084176 9C 1s 0.003124 -0.001946 -0.000287 -0.008104 0.001076 -0.005946 9C 2s 0.007085 -0.004426 -0.001217 -0.024674 0.003577 -0.017929 9C 3s -0.004506 -0.023789 0.028578 0.335681 -0.078430 0.210833 9C 4s -0.250441 0.224669 -0.170736 -0.829877 0.298233 -0.313339 9C 5s 0.392999 -0.252237 0.202705 0.299091 0.250479 -0.128224 9C 1pz 0.043406 -0.009450 0.015996 -0.197675 0.039109 -0.131305 9C 1px 0.071095 -0.003986 0.018317 -0.041342 0.008700 -0.017360 9C 1py 0.041038 0.007286 -0.021540 -0.100059 0.023738 -0.096417 9C 2pz 0.178712 -0.203927 0.389867 0.750862 -0.066908 0.750383 9C 2px -0.229221 0.153866 -0.262762 -0.312516 -0.030557 -0.638109 9C 2py -0.284870 0.246341 -0.302722 0.781126 -0.378662 -0.012403 9C 3pz -0.080863 0.007162 -0.105034 0.060511 -0.071778 0.027534 9C 3px -0.170279 -0.043273 0.028817 0.008215 0.024825 0.030603 9C 3py -0.110720 0.088192 0.069544 -0.061620 -0.048451 0.108065 9C 1dz2 0.099568 -0.088429 0.084890 0.052162 0.031809 0.147672 9C 1dxz -0.143492 0.000235 0.003006 -0.178317 0.041324 -0.131650 9C 1dyz -0.067023 -0.003582 0.020347 0.202323 -0.034549 0.192161 9C 1dx2y2 0.076179 -0.104610 0.161977 -0.034901 0.075107 0.157281 9C 1dxy -0.205240 0.077448 -0.189115 0.100989 -0.060786 -0.147911 9C 2dz2 -0.184598 0.181693 -0.184677 -0.413127 -0.026394 -0.474559 9C 2dxz 0.580745 -0.065770 0.155352 -0.063145 0.037831 0.125336 9C 2dyz 0.127572 -0.084744 0.012320 -0.625803 0.178107 -0.343065 9C 2dx2y2 -0.212911 0.085138 -0.050498 0.266930 -0.110906 0.158131 9C 2dxy 0.324300 -0.038058 0.124595 -0.005070 0.000811 0.137706 9C 1f0 0.213671 -0.029942 0.106066 0.078329 0.041859 0.139303 9C 1f+1 -0.253754 0.142883 -0.169066 0.168183 -0.081316 -0.034316 9C 1f-1 -0.096378 0.056915 -0.028070 0.329472 -0.051558 0.199905 9C 1f+2 -0.077318 0.161199 -0.081062 -0.064410 0.027976 -0.144016 9C 1f-2 -0.160591 -0.020087 -0.014407 -0.127827 0.025069 -0.095940 9C 1f+3 -0.147877 -0.108062 0.050218 0.082317 0.001110 0.148496 9C 1f-3 0.083975 0.017067 0.082322 0.107840 -0.000560 0.149422 10H 1s -0.207413 -0.058946 -0.063206 0.056774 -0.008883 0.007984 10H 2s -0.078482 0.049200 0.207358 0.336140 0.019769 0.509320 10H 3s 0.045888 -0.027259 -0.071618 -0.059826 -0.009985 -0.193737 10H 1pz -0.053719 0.012310 0.043563 0.182075 -0.013478 0.217614 10H 1px -0.057332 -0.040000 -0.107394 -0.079947 -0.030296 -0.172912 10H 1py 0.019943 0.033309 0.099575 0.044800 0.025732 0.147612 11H 1s -0.014162 -0.067198 -0.049757 0.122725 -0.047460 0.054460 11H 2s 0.184756 0.086608 0.242456 -0.333673 0.187922 -0.043240 11H 3s -0.062432 0.013953 -0.081851 0.147365 -0.023355 -0.038152 11H 1pz 0.029929 0.051860 0.107008 -0.143365 0.083091 0.004334 11H 1px 0.099057 0.071051 0.114407 -0.134383 0.055861 0.015160 11H 1py -0.030747 0.089100 0.012054 0.089567 -0.006307 0.099430 12H 1s 0.062950 0.061794 0.071542 0.064689 0.014644 0.125106 12H 2s -0.211172 -0.333293 -0.382156 0.163070 -0.168942 -0.411577 12H 3s 0.047915 0.093722 0.206084 -0.070541 0.085686 0.162740 12H 1pz -0.079628 -0.103892 -0.060874 0.109764 -0.033057 0.021068 12H 1px -0.006526 -0.106971 -0.094131 0.070868 -0.039039 -0.080393 12H 1py -0.178522 -0.182835 -0.248827 0.082341 -0.095984 -0.232964 13H 1s 0.086319 0.044828 -0.170566 -0.014327 0.066179 0.037315 13H 2s 0.080156 0.007297 0.158512 0.189086 0.471620 -0.261414 13H 3s -0.062528 0.026304 -0.064202 -0.070742 -0.129620 0.107378 13H 1pz 0.027718 -0.013109 0.155936 0.095428 0.185053 -0.151796 13H 1px -0.007243 0.013648 -0.057691 -0.040865 -0.078345 0.071720 13H 1py -0.029599 -0.002648 0.002677 -0.050251 -0.217182 0.063541 14H 1s -0.022489 -0.015360 0.094614 0.030266 0.121429 -0.059585 14H 2s -0.032918 0.243816 -0.496263 -0.196809 0.012694 0.376440 14H 3s 0.064903 -0.042212 0.199588 0.140773 -0.002520 -0.161712 14H 1pz 0.015757 0.071526 -0.238614 -0.079534 -0.009338 0.147287 14H 1px -0.030234 0.114374 -0.236888 -0.108245 0.007421 0.179740 14H 1py -0.004943 -0.086524 0.103699 0.015672 -0.112468 -0.042140 15H 1s -0.025398 0.058587 -0.054562 0.008059 0.130965 0.018645 15H 2s 0.000123 0.074633 0.253965 0.001928 -0.307897 -0.143610 15H 3s 0.032459 -0.049871 -0.074926 -0.025103 0.094229 0.074898 15H 1pz 0.035657 -0.065299 -0.066353 0.003225 0.148027 0.015350 15H 1px 0.003232 -0.050494 0.097283 0.033338 -0.003535 -0.060127 15H 1py -0.022112 -0.017965 -0.112526 -0.005921 0.139806 0.066087 16H 1s -0.149821 -0.029686 0.043599 0.062380 0.116539 -0.000489 16H 2s -0.139096 -0.114864 0.027057 0.122675 0.225235 -0.083074 16H 3s 0.062352 0.035530 -0.021328 -0.071628 -0.049086 -0.012978 16H 1pz -0.174541 -0.077624 0.033302 0.094447 0.170535 -0.028768 16H 1px 0.005885 -0.007903 0.003347 0.008279 -0.009715 0.002922 16H 1py -0.097097 -0.012995 0.026582 0.049528 0.073177 0.010142 17H 1s 0.001666 0.016497 -0.016345 -0.088667 -0.065550 0.031312 17H 2s 0.039995 -0.072608 -0.037291 -0.109743 -0.063126 -0.112101 17H 3s 0.000837 -0.031736 -0.017220 0.070671 0.074152 0.009654 17H 1pz 0.010621 0.019870 0.007998 0.064781 0.038914 0.025075 17H 1px 0.000306 0.023985 0.023785 0.061373 0.041677 0.015244 17H 1py -0.003346 0.011958 -0.012038 -0.078461 -0.069714 0.009064 18H 1s -0.004499 0.009556 0.012728 0.086665 0.061062 -0.019065 18H 2s -0.039488 -0.092590 0.033954 0.104542 0.058224 0.133769 18H 3s 0.000977 -0.026585 0.020730 -0.070164 -0.071737 -0.017130 18H 1pz 0.010614 -0.026412 0.005441 0.065214 0.037041 0.035263 18H 1px -0.000819 -0.031760 0.021860 0.058917 0.038899 0.026450 18H 1py -0.000445 -0.005604 -0.008920 -0.074222 -0.065379 -0.001813 19H 1s 0.149224 -0.016083 -0.040620 -0.060181 -0.113291 -0.011336 19H 2s 0.146794 -0.097196 -0.020779 -0.113506 -0.218670 0.058948 19H 3s -0.068246 0.026928 0.016250 0.070560 0.045291 0.020427 19H 1pz -0.176190 0.060361 0.028387 0.088260 0.164322 -0.011997 19H 1px 0.006041 0.009002 0.002341 0.008544 -0.011029 0.001107 19H 1py -0.101601 0.003929 0.024703 0.048814 0.073918 0.019269 20H 1s 0.020110 0.060447 0.054616 -0.007222 -0.131825 -0.020136 20H 2s -0.017664 0.068715 -0.251762 -0.003003 0.307871 0.147918 20H 3s -0.022561 -0.051869 0.075290 0.025175 -0.094089 -0.077979 20H 1pz 0.026085 0.067676 -0.065475 0.004230 0.148845 0.015360 20H 1px 0.000341 0.051414 0.095131 0.033913 -0.003765 -0.061808 20H 1py -0.030452 0.013573 -0.111576 -0.006797 0.139721 0.068523 21H 1s 0.020635 -0.013956 -0.089938 -0.030484 -0.122863 0.060232 21H 2s 0.020685 0.243807 0.480685 0.197326 -0.001805 -0.387046 21H 3s -0.067519 -0.047559 -0.192700 -0.140641 -0.001705 0.165630 21H 1pz 0.018067 -0.069376 -0.232355 -0.079872 -0.013796 0.152059 21H 1px -0.025653 -0.115947 -0.228667 -0.108237 0.003149 0.183873 21H 1py -0.012853 0.086240 0.101687 0.016130 -0.111920 -0.044005 22H 1s -0.092425 0.036469 0.166853 0.014213 -0.065061 -0.038857 22H 2s -0.095075 -0.000108 -0.143677 -0.186720 -0.484631 0.263333 22H 3s 0.063944 0.030183 0.057993 0.069485 0.134264 -0.107946 22H 1pz 0.033998 0.015127 0.147234 0.094219 0.189814 -0.153081 22H 1px -0.007117 -0.014333 -0.055443 -0.040802 -0.082063 0.073200 22H 1py -0.033425 -0.000359 0.006851 -0.049492 -0.221813 0.063219 23H 1s -0.054513 0.057791 -0.067112 -0.064738 -0.013291 -0.125028 23H 2s 0.188946 -0.307004 0.365312 -0.156884 0.170692 0.415858 23H 3s -0.033788 0.087384 -0.199521 0.068226 -0.086666 -0.162758 23H 1pz -0.082646 0.095866 -0.058402 0.110170 -0.035322 0.019792 23H 1px -0.004645 0.105054 -0.089391 0.070397 -0.039228 -0.079505 23H 1py -0.160863 0.163842 -0.238608 0.079383 -0.097252 -0.235296 24H 1s 0.016770 -0.065015 0.050486 -0.124675 0.050228 -0.053336 24H 2s -0.159051 0.082846 -0.242414 0.337060 -0.196897 0.029189 24H 3s 0.048336 0.015754 0.080944 -0.149796 0.026322 0.044626 24H 1pz 0.018790 -0.054533 0.107604 -0.145393 0.086680 0.011364 24H 1px 0.089970 -0.065684 0.112795 -0.137014 0.059461 0.018775 24H 1py -0.020812 -0.091678 0.012400 0.087546 -0.007846 0.098662 25H 1s 0.205156 -0.037311 0.059233 -0.055353 0.010605 -0.010000 25H 2s 0.111697 0.054240 -0.185667 -0.349198 -0.005794 -0.501167 25H 3s -0.058255 -0.028608 0.060945 0.065542 0.002773 0.189461 25H 1pz -0.062855 -0.016180 0.035078 0.187933 -0.020649 0.214546 25H 1px -0.045538 0.033115 -0.099579 -0.084433 -0.026540 -0.169803 25H 1py 0.004575 -0.030370 0.091710 0.046113 0.022855 0.145371 26O 1s 0.009787 -0.001909 -0.000744 0.002828 -0.001849 0.004036 26O 2s 0.032192 -0.007005 -0.003496 0.008638 -0.005857 0.014460 26O 3s -0.194382 0.061826 0.063456 -0.040789 0.038092 -0.131323 26O 4s 0.304876 -0.082383 -0.236447 -0.028119 -0.046155 0.382490 26O 5s -0.971723 0.247064 0.025060 -0.191239 0.251646 -0.241049 26O 1pz -0.086020 -0.015076 -0.063680 -0.015505 -0.020585 -0.093346 26O 1px 0.060164 0.020992 0.008495 0.049596 -0.015579 0.029591 26O 1py -0.013895 -0.010027 0.035426 -0.068184 0.040767 0.025745 26O 2pz 0.369229 0.046720 0.246137 0.029823 0.065179 0.255705 26O 2px 0.073673 -0.062832 0.125725 -0.044215 0.022898 -0.133647 26O 2py 0.148007 0.056323 -0.067200 0.247445 -0.134965 -0.106286 26O 3pz -0.389712 0.087895 0.055858 0.033379 0.054534 -0.052098 26O 3px 0.125906 0.013490 -0.002432 0.110708 -0.071295 0.098241 26O 3py -0.132453 -0.118895 -0.023404 0.171368 0.019421 -0.133947 26O 1dz2 -0.007854 0.004989 -0.001612 -0.009173 -0.000431 0.008463 26O 1dxz 0.019707 0.004992 0.003842 -0.007483 -0.000165 0.008564 26O 1dyz 0.005249 -0.002414 -0.001373 -0.000183 -0.001775 -0.005989 26O 1dx2y2 -0.004703 0.006722 0.012134 -0.008638 0.003519 0.005476 26O 1dxy 0.004915 -0.000192 -0.003374 0.004200 -0.002547 -0.004931 26O 2dz2 -0.087753 0.053612 0.002470 -0.041373 -0.004209 -0.026832 26O 2dxz -0.206302 0.002927 -0.128664 -0.027510 -0.032861 -0.099171 26O 2dyz -0.170766 -0.060477 -0.070215 -0.015332 -0.007362 -0.134764 26O 2dx2y2 -0.038908 0.069127 -0.079000 0.083401 -0.056908 0.047443 26O 2dxy -0.057836 -0.034139 0.072622 -0.124515 0.072058 0.061243 26O 1f0 0.014616 0.018374 0.023701 0.008111 -0.000649 0.025119 26O 1f+1 -0.042460 0.010759 -0.003978 -0.013199 0.002837 -0.010797 26O 1f-1 -0.007491 0.005633 0.002857 -0.006890 0.002574 -0.014517 26O 1f+2 0.023337 0.017146 0.009400 -0.013794 0.000901 -0.002823 26O 1f-2 -0.036124 -0.012146 -0.015738 -0.012306 -0.009007 -0.031343 26O 1f+3 -0.002238 0.004970 0.012484 -0.041737 0.013875 -0.013002 26O 1f-3 -0.027100 -0.015622 -0.022995 0.001767 -0.005015 -0.020908 27O 1s -0.011704 0.000374 0.003377 0.000990 0.002496 -0.002035 27O 2s -0.039307 0.000349 0.010797 0.002525 0.007691 -0.007867 27O 3s 0.274734 0.029022 -0.042569 0.004421 -0.046273 0.085903 27O 4s -0.487616 -0.208906 0.028147 -0.096112 0.059918 -0.315502 27O 5s 1.243302 -0.234104 -0.274266 0.011068 -0.128492 0.020209 27O 1pz 0.057563 0.010691 -0.012805 0.007472 -0.069785 -0.043820 27O 1px -0.021532 0.011389 0.061077 0.016077 0.010830 -0.047809 27O 1py -0.034740 0.007342 0.079126 0.046761 0.048024 -0.071720 27O 2pz -0.175800 -0.070386 0.015852 -0.030466 0.191150 0.134435 27O 2px -0.103209 0.108139 0.003234 0.034674 0.002288 0.227727 27O 2py 0.185914 -0.069569 -0.363090 -0.157243 -0.109698 0.191806 27O 3pz 0.192772 0.111543 -0.139052 -0.057221 0.020829 0.107769 27O 3px -0.257033 0.119985 -0.052050 0.047854 0.110963 0.080596 27O 3py -0.351803 0.061500 0.197546 -0.097235 -0.046808 -0.076296 27O 1dz2 -0.002786 0.006268 -0.000748 -0.008849 0.001802 0.003906 27O 1dxz -0.011209 0.001839 -0.002172 -0.009332 0.004877 0.006253 27O 1dyz -0.001987 -0.002048 0.005571 0.004600 -0.000150 -0.004861 27O 1dx2y2 -0.003661 0.007189 0.003286 -0.002249 0.002247 0.011971 27O 1dxy 0.012779 -0.000088 -0.014553 -0.002735 0.002714 0.003984 27O 2dz2 -0.081331 0.074617 0.030073 -0.039115 0.014970 0.067476 27O 2dxz 0.077997 0.068267 0.059164 0.014835 -0.121416 -0.067395 27O 2dyz -0.067846 -0.051024 0.049689 0.010271 0.045527 -0.041223 27O 2dx2y2 -0.043809 0.021263 0.106647 -0.020949 0.035384 -0.081309 27O 2dxy -0.112407 0.053148 0.225546 0.058965 0.066923 -0.108624 27O 1f0 -0.007867 0.004277 -0.020225 -0.004734 0.037625 0.006850 27O 1f+1 0.007682 0.007484 -0.029323 -0.008664 -0.010627 0.016285 27O 1f-1 0.001406 -0.005927 0.004246 0.005600 0.000840 0.003691 27O 1f+2 0.007130 -0.005596 0.007088 0.000082 -0.022012 -0.014156 27O 1f-2 -0.017646 -0.010634 0.041797 0.002385 0.006526 -0.016317 27O 1f+3 0.028048 -0.010990 -0.033939 -0.007390 -0.022670 0.017887 27O 1f-3 -0.004116 0.010699 -0.015665 -0.010465 -0.025853 0.010372 28O 1s -0.004541 -0.000356 0.003552 -0.000831 -0.000747 -0.005035 28O 2s -0.016811 -0.001389 0.012360 -0.003563 -0.002085 -0.017525 28O 3s 0.144620 0.012171 -0.108605 0.026485 -0.002500 0.136018 28O 4s -0.416188 -0.054625 0.230351 -0.053841 0.095123 -0.324639 28O 5s 0.668399 0.105060 -0.361519 0.121195 0.166778 0.347855 28O 1pz 0.127754 0.048142 0.033024 -0.060412 0.000860 0.023034 28O 1px 0.059528 0.038217 0.035218 0.003814 0.007280 0.075631 28O 1py 0.133351 -0.016083 -0.010252 0.024746 0.013545 -0.047818 28O 2pz -0.395065 -0.192810 -0.156369 0.102253 -0.073879 -0.134170 28O 2px -0.220671 -0.152081 -0.092695 0.018706 0.044746 -0.210648 28O 2py -0.397239 0.120267 0.036585 -0.103622 -0.040202 0.124735 28O 3pz 0.565904 0.098551 0.015921 0.245797 -0.161321 0.224629 28O 3px 0.111696 0.093371 -0.154845 -0.003455 0.044110 0.041743 28O 3py 0.362307 -0.108640 0.060267 0.055765 -0.005911 0.237735 28O 1dz2 -0.005819 -0.000786 -0.003349 0.005871 -0.001386 -0.014287 28O 1dxz -0.000667 0.006897 0.002355 0.004073 0.001431 -0.001112 28O 1dyz -0.002388 -0.000165 0.003391 -0.004133 0.004245 0.004465 28O 1dx2y2 0.016306 0.010446 -0.002919 0.003154 -0.003934 -0.004062 28O 1dxy 0.011473 -0.008317 -0.001758 0.002053 -0.003021 -0.003604 28O 2dz2 0.225949 0.189879 0.076685 -0.010468 -0.008297 0.057670 28O 2dxz 0.032287 -0.015090 -0.035562 0.074322 -0.041232 -0.013625 28O 2dyz 0.227794 -0.085541 -0.000673 0.031169 0.006746 0.017684 28O 2dx2y2 -0.148333 -0.033824 -0.080578 0.060175 -0.011010 -0.084400 28O 2dxy -0.064568 0.122926 0.070229 -0.018679 -0.009234 0.119345 28O 1f0 0.011003 -0.006872 -0.014671 0.016685 -0.010655 0.004211 28O 1f+1 -0.016311 -0.013984 -0.010873 0.031772 -0.006948 0.016266 28O 1f-1 0.032223 0.002488 0.008947 0.006409 -0.003099 0.013114 28O 1f+2 -0.040295 -0.011893 -0.012011 -0.004217 -0.009785 -0.010613 28O 1f-2 -0.031820 0.001434 -0.009759 -0.006584 -0.003201 0.002016 28O 1f+3 -0.029828 -0.013565 -0.020746 0.027520 -0.007567 -0.000475 28O 1f-3 0.014331 0.018156 0.026583 0.027478 0.002576 0.047715 29O 1s 0.008736 0.000624 -0.000250 0.000873 -0.000435 -0.002550 29O 2s 0.033089 0.003207 -0.001167 0.003157 -0.002720 -0.008675 29O 3s -0.322469 -0.049156 0.012273 -0.028420 0.045989 0.063957 29O 4s 0.709876 0.127880 -0.006793 0.056165 -0.105716 -0.123578 29O 5s -0.493717 0.052253 -0.082289 -0.050164 -0.116080 0.270050 29O 1pz 0.061584 0.018465 -0.022517 -0.045104 -0.071351 0.014620 29O 1px 0.003957 -0.000754 0.002253 -0.018240 -0.011262 -0.002318 29O 1py 0.031097 0.015972 0.001588 0.014875 -0.025799 0.004997 29O 2pz -0.264660 -0.086350 0.085961 0.234097 0.328432 -0.036024 29O 2px -0.005062 0.012505 0.006601 0.093162 0.061274 0.023210 29O 2py -0.138869 -0.066699 0.001245 -0.044855 0.070651 -0.023577 29O 3pz -0.004408 0.014184 -0.019036 -0.062974 -0.051875 0.008007 29O 3px 0.115078 0.033563 0.062408 -0.011708 -0.019056 -0.029851 29O 3py 0.087249 -0.036341 -0.007421 0.017427 0.042946 -0.090184 29O 1dz2 -0.001199 -0.005619 -0.000768 -0.000122 -0.001534 -0.007206 29O 1dxz 0.000205 -0.004693 -0.002053 0.009123 0.001124 0.000725 29O 1dyz -0.004529 -0.000718 -0.000124 0.003120 0.009747 0.001151 29O 1dx2y2 0.000316 -0.008120 -0.000731 0.005738 0.006430 -0.003396 29O 1dxy -0.001604 0.001264 0.003174 0.005835 -0.005520 0.003512 29O 2dz2 0.116862 0.022777 -0.026520 -0.064414 -0.106520 -0.011011 29O 2dxz -0.014649 -0.016719 0.017116 0.094943 0.064011 0.002967 29O 2dyz 0.092462 0.030699 -0.035674 -0.095349 -0.111683 0.012249 29O 2dx2y2 -0.026964 -0.034745 -0.003481 0.030465 0.046602 -0.015413 29O 2dxy -0.013511 -0.008300 -0.001938 -0.036210 -0.047549 0.001299 29O 1f0 0.017198 0.005729 -0.003707 -0.008386 -0.009979 -0.000600 29O 1f+1 0.001657 0.000350 -0.001286 -0.011933 -0.012258 -0.003682 29O 1f-1 0.025016 0.002764 -0.007292 -0.006702 -0.020873 -0.002261 29O 1f+2 -0.008418 -0.003295 0.000032 0.009991 0.004902 0.002220 29O 1f-2 -0.010610 -0.005772 0.003337 0.016654 0.024564 -0.006594 29O 1f+3 -0.002659 0.006344 -0.001279 -0.011468 -0.007900 0.003049 29O 1f-3 0.004923 0.000933 -0.006170 -0.015469 0.003068 0.000403 30O 1s 0.004201 0.004482 -0.002513 0.001546 -0.001940 0.005166 30O 2s 0.016001 0.015576 -0.008561 0.004633 -0.006924 0.017982 30O 3s -0.162439 -0.127447 0.052183 -0.020808 0.045906 -0.148125 30O 4s 0.527436 0.288001 -0.119298 -0.039036 -0.092037 0.377256 30O 5s -0.389618 -0.448811 0.346396 -0.258231 0.158910 -0.510454 30O 1pz -0.060507 0.023951 0.038924 -0.054608 -0.031727 0.032766 30O 1px -0.047979 -0.006941 0.091618 -0.000581 0.021056 -0.034230 30O 1py 0.038106 0.034370 -0.096913 -0.049755 0.025978 0.054096 30O 2pz 0.121953 -0.133351 -0.132328 0.185023 0.051107 -0.102032 30O 2px 0.254286 0.015832 -0.232503 -0.048531 -0.034668 0.106051 30O 2py -0.053116 -0.145922 0.379011 0.115851 0.007721 -0.168180 30O 3pz -0.167046 0.123815 0.189739 0.116362 0.160175 -0.218668 30O 3px -0.183713 -0.077571 0.119590 -0.072228 0.017579 -0.137861 30O 3py 0.358478 0.142573 -0.257078 -0.047865 -0.284737 0.140937 30O 1dz2 0.013600 0.001392 -0.003796 0.008314 0.002655 -0.011608 30O 1dxz 0.003955 0.009162 -0.002268 0.002293 -0.000453 0.000273 30O 1dyz -0.003020 -0.004550 0.000880 -0.003816 0.004608 0.005146 30O 1dx2y2 -0.012868 0.003160 0.006993 0.004186 0.001461 -0.009636 30O 1dxy 0.000487 0.006392 -0.004817 -0.000593 -0.002400 0.000258 30O 2dz2 -0.032425 0.153690 -0.020689 -0.043107 -0.064364 0.013227 30O 2dxz -0.023681 -0.069094 0.104563 0.100853 0.025643 -0.106438 30O 2dyz 0.106227 -0.040424 -0.157511 -0.001797 0.007860 0.070703 30O 2dx2y2 0.143399 0.079558 -0.199546 -0.002375 0.006005 0.032332 30O 2dxy 0.106135 -0.059849 0.014600 0.035785 -0.031560 -0.024630 30O 1f0 0.005383 -0.010437 0.021278 0.002448 -0.010777 -0.007644 30O 1f+1 0.002627 -0.006309 0.019305 0.015525 0.040734 -0.019541 30O 1f-1 0.014546 0.002234 -0.043089 0.002444 0.003351 0.012316 30O 1f+2 0.024199 0.007206 -0.045950 -0.010332 0.013894 0.019295 30O 1f-2 0.000516 0.003367 -0.001980 0.007051 -0.005717 0.006834 30O 1f+3 0.000266 0.011529 -0.008129 0.006546 0.037393 -0.004427 30O 1f-3 0.024012 -0.007650 -0.015450 -0.000269 -0.025914 0.003772 31O 1s -0.004221 0.004116 0.002373 -0.001487 0.002032 -0.005184 31O 2s -0.016029 0.014175 0.008072 -0.004444 0.007219 -0.018020 31O 3s 0.161196 -0.112835 -0.048465 0.019879 -0.047551 0.147858 31O 4s -0.519936 0.239616 0.108568 0.037532 0.094418 -0.374570 31O 5s 0.412961 -0.424789 -0.326977 0.249049 -0.162688 0.500162 31O 1pz -0.059683 -0.029028 0.038737 -0.054291 -0.031525 0.032501 31O 1px -0.050418 0.001915 0.089789 -0.000307 0.021871 -0.035849 31O 1py 0.043796 -0.031158 -0.095253 -0.050162 0.025265 0.056502 31O 2pz 0.115722 0.142314 -0.131420 0.183459 0.048900 -0.101691 31O 2px 0.255369 0.009933 -0.226616 -0.047231 -0.035747 0.109096 31O 2py -0.076966 0.143148 0.370885 0.118734 0.012014 -0.175191 31O 3pz -0.144424 -0.139518 0.192046 0.115419 0.167668 -0.226770 31O 3px -0.190090 0.064725 0.115578 -0.069943 0.016218 -0.136559 31O 3py 0.376322 -0.110041 -0.251012 -0.048609 -0.291130 0.146390 31O 1dz2 -0.014017 0.000118 0.003874 -0.008243 -0.002753 0.011698 31O 1dxz -0.005203 0.008742 0.002111 -0.002217 0.000166 -0.000115 31O 1dyz 0.003451 -0.004209 -0.000650 0.003736 -0.004729 -0.005187 31O 1dx2y2 0.012417 0.004366 -0.006890 -0.004176 -0.001454 0.009853 31O 1dxy -0.001262 0.006478 0.004503 0.000615 0.002459 -0.000147 31O 2dz2 0.016506 0.156948 0.019387 0.044221 0.064696 -0.014606 31O 2dxz 0.025928 -0.066485 -0.102537 -0.100705 -0.026832 0.109098 31O 2dyz -0.103751 -0.049502 0.154837 0.001748 -0.006565 -0.072232 31O 2dx2y2 -0.155441 0.066373 0.195250 0.002896 -0.005385 -0.033988 31O 2dxy -0.098194 -0.069960 -0.015055 -0.036774 0.031481 0.026807 31O 1f0 0.004900 0.010861 0.021051 0.002586 -0.010629 -0.008009 31O 1f+1 0.002441 0.006628 0.018427 0.015602 0.041248 -0.019982 31O 1f-1 0.014008 -0.000842 -0.042076 0.002353 0.002871 0.012909 31O 1f+2 0.024433 -0.004972 -0.045207 -0.010425 0.013639 0.020167 31O 1f-2 0.001037 -0.003246 -0.001935 0.006888 -0.005695 0.006921 31O 1f+3 0.001706 -0.011556 -0.008045 0.006593 0.037820 -0.004576 31O 1f-3 0.024397 0.009880 -0.014863 -0.000355 -0.026300 0.003709 32O 1s -0.008717 0.000133 0.000267 -0.000898 0.000476 0.002515 32O 2s -0.033036 0.001390 0.001228 -0.003262 0.002882 0.008554 32O 3s 0.322523 -0.032278 -0.012654 0.029773 -0.047593 -0.062973 32O 4s -0.712228 0.090684 0.007241 -0.059549 0.109943 0.121161 32O 5s 0.495015 0.087601 0.080571 0.049830 0.108982 -0.264639 32O 1pz 0.062111 -0.009993 -0.020274 -0.043559 -0.068473 0.005702 32O 1px 0.003380 0.003519 0.002894 -0.017557 -0.009532 -0.005735 32O 1py 0.031154 -0.015753 0.000506 0.013388 -0.028310 0.005767 32O 2pz -0.268203 0.047456 0.075212 0.225267 0.315185 0.006766 32O 2px -0.003599 -0.024472 0.003225 0.089630 0.054409 0.038816 32O 2py -0.142890 0.065237 0.004531 -0.038767 0.080613 -0.026630 32O 3pz -0.004633 -0.014441 -0.016620 -0.065151 -0.049425 0.006760 32O 3px 0.116692 -0.025589 0.062705 -0.011756 -0.020693 -0.029133 32O 3py 0.083257 0.042393 -0.009085 0.015613 0.040401 -0.088958 32O 1dz2 0.001713 -0.005438 0.000651 0.000358 0.001711 0.007201 32O 1dxz 0.000328 -0.004716 0.002405 -0.009131 -0.000857 -0.000807 32O 1dyz 0.004561 -0.000295 0.000401 -0.003130 -0.009619 -0.001734 32O 1dx2y2 0.000178 -0.008211 0.000827 -0.005592 -0.006374 0.003392 32O 1dxy 0.002167 0.001539 -0.002956 -0.005904 0.005702 -0.003708 32O 2dz2 -0.112522 0.010290 0.021712 0.057411 0.098011 0.022022 32O 2dxz 0.019447 -0.009360 -0.014015 -0.095278 -0.062566 -0.014254 32O 2dyz -0.098906 0.016511 0.032709 0.092253 0.109627 0.005119 32O 2dx2y2 0.031133 -0.032059 0.003918 -0.032028 -0.048865 0.011976 32O 2dxy 0.015571 -0.012922 0.000058 0.032238 0.043004 0.006153 32O 1f0 0.016393 -0.004092 -0.003043 -0.007847 -0.008685 -0.001557 32O 1f+1 0.001446 0.000287 -0.000803 -0.012138 -0.012132 -0.004981 32O 1f-1 0.024909 -0.000738 -0.007054 -0.006446 -0.020687 -0.004170 32O 1f+2 -0.009496 0.002551 -0.000288 0.009627 0.004997 0.003108 32O 1f-2 -0.011021 0.003801 0.002601 0.016305 0.023693 -0.003624 32O 1f+3 -0.002458 -0.005978 -0.000907 -0.010572 -0.007093 0.002153 32O 1f-3 0.006345 0.000249 -0.005536 -0.015410 0.003721 -0.001018 33O 1s 0.004368 0.000177 -0.003727 0.000858 0.000627 0.004962 33O 2s 0.016213 0.000517 -0.012977 0.003677 0.001727 0.017242 33O 3s -0.139730 -0.003091 0.114309 -0.027933 0.003881 -0.133889 33O 4s 0.399452 -0.015033 -0.249571 0.060356 -0.092697 0.321069 33O 5s -0.668674 0.032041 0.360182 -0.113208 -0.160448 -0.339861 33O 1pz 0.130497 -0.036320 0.031982 -0.060774 0.002543 0.021572 33O 1px 0.059188 -0.031343 0.033914 0.004429 0.006691 0.073837 33O 1py 0.130833 0.029102 -0.010040 0.026345 0.014367 -0.049434 33O 2pz -0.403901 0.154533 -0.154304 0.105119 -0.074513 -0.127437 33O 2px -0.219485 0.130442 -0.083804 0.015276 0.042856 -0.207413 33O 2py -0.381694 -0.159698 0.035991 -0.109955 -0.041045 0.130109 33O 3pz 0.564284 -0.051055 0.008042 0.247703 -0.156211 0.219797 33O 3px 0.122486 -0.076883 -0.148889 -0.006287 0.040735 0.038576 33O 3py 0.343833 0.141827 0.054857 0.057307 -0.003252 0.236542 33O 1dz2 0.005218 -0.000270 0.002982 -0.005968 0.001315 0.014395 33O 1dxz 0.000528 0.006898 -0.002158 -0.004055 -0.001171 0.001133 33O 1dyz 0.002204 0.000143 -0.003591 0.004253 -0.004478 -0.004105 33O 1dx2y2 -0.017158 0.009063 0.002817 -0.003102 0.003647 0.004203 33O 1dxy -0.010812 -0.009409 0.001696 -0.002180 0.002981 0.003574 33O 2dz2 -0.238505 0.169333 -0.073989 0.012463 0.007123 -0.055505 33O 2dxz -0.029967 -0.017960 0.037742 -0.076639 0.041392 0.014061 33O 2dyz -0.212756 -0.107025 0.001696 -0.034732 -0.007569 -0.015484 33O 2dx2y2 0.143034 -0.019990 0.076657 -0.059482 0.012453 0.084367 33O 2dxy 0.055813 0.130382 -0.067167 0.021373 0.009666 -0.120987 33O 1f0 0.012683 0.007977 -0.014438 0.016993 -0.011005 0.003172 33O 1f+1 -0.016486 0.012513 -0.010346 0.032139 -0.007616 0.016002 33O 1f-1 0.030458 0.000158 0.008150 0.006929 -0.003105 0.013192 33O 1f+2 -0.039012 0.007853 -0.011471 -0.004422 -0.009854 -0.010124 33O 1f-2 -0.029945 -0.004489 -0.009209 -0.007281 -0.003340 0.002362 33O 1f+3 -0.029205 0.010499 -0.020276 0.027664 -0.008056 -0.000786 33O 1f-3 0.012804 -0.017215 0.025447 0.027690 0.002115 0.047360 34O 1s 0.011237 0.001465 -0.003326 -0.000964 -0.002566 0.002082 34O 2s 0.037694 0.004024 -0.010644 -0.002441 -0.007949 0.008050 34O 3s -0.262769 0.002939 0.041907 -0.004943 0.048492 -0.087031 34O 4s 0.471101 -0.160584 -0.025291 0.096736 -0.065315 0.315728 34O 5s -1.181186 -0.352292 0.286106 -0.017578 0.131607 -0.028467 34O 1pz 0.061308 -0.005605 -0.011757 0.007549 -0.070220 -0.043976 34O 1px -0.020801 -0.012787 0.059201 0.016037 0.012311 -0.048497 34O 1py -0.032896 -0.011284 0.076909 0.047015 0.049462 -0.073549 34O 2pz -0.193009 0.054848 0.012548 -0.030324 0.192129 0.135351 34O 2px -0.099494 -0.117910 0.007716 0.034488 -0.001613 0.226384 34O 2py 0.175063 0.088325 -0.354562 -0.157380 -0.114566 0.198890 34O 3pz 0.198824 -0.090222 -0.141785 -0.058207 0.018810 0.113172 34O 3px -0.248186 -0.141621 -0.047002 0.045185 0.112828 0.077885 34O 3py -0.337993 -0.095619 0.193305 -0.096666 -0.047909 -0.076293 34O 1dz2 0.002000 0.006405 0.000658 0.008919 -0.001694 -0.004033 34O 1dxz 0.011268 0.002785 0.001986 0.009373 -0.004803 -0.006358 34O 1dyz 0.002368 -0.001809 -0.005642 -0.004757 0.000062 0.005215 34O 1dx2y2 0.003016 0.007375 -0.003090 0.002346 -0.002199 -0.012073 34O 1dxy -0.012608 -0.001215 0.014111 0.002701 -0.002740 -0.003864 34O 2dz2 0.076592 0.081376 -0.030128 0.039517 -0.014364 -0.067978 34O 2dxz -0.094486 0.061627 -0.060784 -0.014156 0.120629 0.070384 34O 2dyz 0.074518 -0.044644 -0.047898 -0.010818 -0.046223 0.041279 34O 2dx2y2 0.034020 0.024753 -0.103175 0.021367 -0.037726 0.081952 34O 2dxy 0.105026 0.063482 -0.221561 -0.058940 -0.069690 0.112469 34O 1f0 -0.007563 -0.004857 -0.020013 -0.004767 0.037627 0.007415 34O 1f+1 0.007715 -0.007043 -0.028772 -0.008618 -0.010955 0.016993 34O 1f-1 0.001141 0.006119 0.003980 0.005605 0.000663 0.003653 34O 1f+2 0.007095 0.006138 0.007121 0.000130 -0.021883 -0.014468 34O 1f-2 -0.018843 0.009062 0.040663 0.002422 0.007076 -0.016693 34O 1f+3 0.026779 0.013582 -0.033194 -0.007441 -0.023427 0.018222 34O 1f-3 -0.004004 -0.011227 -0.015018 -0.010545 -0.026094 0.010627 35O 1s -0.009144 -0.002673 0.001115 -0.002996 0.001852 -0.004011 35O 2s -0.029955 -0.009550 0.004817 -0.009211 0.005951 -0.014403 35O 3s 0.177575 0.078298 -0.074591 0.044994 -0.041235 0.131419 35O 4s -0.275084 -0.116861 0.264440 0.019627 0.062862 -0.383577 35O 5s 0.913216 0.314721 -0.061815 0.204605 -0.248958 0.251797 35O 1pz -0.078977 0.006591 -0.060903 -0.016809 -0.020812 -0.090629 35O 1px 0.059806 -0.015958 0.007790 0.051145 -0.016280 0.028422 35O 1py -0.019853 0.009189 0.034663 -0.068358 0.041020 0.027832 35O 2pz 0.340069 -0.012300 0.235148 0.034402 0.067345 0.249010 35O 2px 0.065203 0.062878 0.128217 -0.046537 0.032685 -0.130823 35O 2py 0.169582 -0.047446 -0.064317 0.248620 -0.132616 -0.112715 35O 3pz -0.367705 -0.123901 0.064158 0.029665 0.056515 -0.047421 35O 3px 0.127900 -0.008834 -0.004005 0.111945 -0.065852 0.101633 35O 3py -0.147587 0.102138 -0.018091 0.172715 0.021523 -0.133059 35O 1dz2 0.006624 0.005414 0.001529 0.009347 0.000546 -0.008544 35O 1dxz -0.019211 0.003130 -0.003664 0.007509 0.000002 -0.008573 35O 1dyz -0.004238 -0.002823 0.001480 0.000105 0.001639 0.006093 35O 1dx2y2 0.005130 0.007164 -0.011826 0.008535 -0.003677 -0.005668 35O 1dxy -0.005474 -0.000582 0.003403 -0.004225 0.002487 0.004971 35O 2dz2 0.072884 0.062400 -0.005923 0.043358 0.001864 0.026146 35O 2dxz 0.187082 0.021148 0.124357 0.028944 0.034095 0.098226 35O 2dyz 0.167813 -0.044169 0.066460 0.016168 0.006734 0.133674 35O 2dx2y2 0.022254 0.071829 0.078758 -0.083691 0.060422 -0.044660 35O 2dxy 0.073804 -0.030775 -0.068198 0.124605 -0.071069 -0.064851 35O 1f0 0.013167 -0.017363 0.022861 0.007856 -0.000823 0.025265 35O 1f+1 -0.040149 -0.014892 -0.003574 -0.014234 0.003070 -0.010021 35O 1f-1 -0.006203 -0.006457 0.002963 -0.007241 0.002766 -0.014282 35O 1f+2 0.023919 -0.014766 0.008989 -0.013802 0.001116 -0.003364 35O 1f-2 -0.034978 0.008638 -0.014759 -0.012521 -0.008670 -0.030877 35O 1f+3 -0.003050 -0.004673 0.012478 -0.041850 0.014481 -0.012362 35O 1f-3 -0.025861 0.013737 -0.022113 0.001818 -0.005382 -0.021085 564 565 566 567 568 569 3.83401 3.84474 3.86228 3.86658 3.87406 3.89985 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s -0.002506 0.001007 0.011609 -0.001188 0.004988 0.002073 0Rh 2s 0.022974 -0.009639 -0.106383 0.010678 -0.039206 -0.018513 0Rh 3s -0.001108 0.000203 0.005191 -0.000655 0.006146 0.001223 0Rh 4s -0.126694 0.053166 0.587555 -0.059047 0.217263 0.102474 0Rh 5s 0.287245 -0.122349 -1.335465 0.133981 -0.471577 -0.232001 0Rh 6s -0.274303 0.124994 1.278271 -0.126884 0.351764 0.215602 0Rh 7s 0.426807 -0.300433 -1.935728 0.153537 0.504249 -0.243578 0Rh 8s -0.027235 0.064092 0.195341 0.021465 -0.214825 -0.226822 0Rh 1pz 0.002083 -0.001606 -0.000451 -0.005053 -0.000123 0.001899 0Rh 1px 0.000398 -0.001461 -0.001913 -0.001985 0.007487 -0.001249 0Rh 1py 0.003196 0.000791 -0.000286 0.000398 0.000756 0.009459 0Rh 2pz -0.008625 0.007015 0.001815 0.018974 0.000216 -0.007239 0Rh 2px -0.001579 0.005777 0.006862 0.007618 -0.028236 0.004618 0Rh 2py -0.012549 -0.003146 0.001627 -0.001524 -0.002216 -0.036172 0Rh 3pz 0.030542 -0.031922 -0.005762 -0.028427 0.005210 0.012807 0Rh 3px 0.003875 -0.014626 -0.001603 -0.015048 0.043037 -0.005112 0Rh 3py 0.030582 0.008516 -0.014717 0.002920 -0.011126 0.066892 0Rh 4pz -0.061855 0.081755 0.012807 -0.037608 -0.025694 0.007777 0Rh 4px -0.001316 0.012508 -0.064119 0.000994 0.064850 -0.017657 0Rh 4py -0.025745 -0.010769 0.053410 0.000364 0.074544 0.023989 0Rh 5pz 0.121529 -0.166293 -0.041744 0.116120 0.057215 -0.036012 0Rh 5px -0.012524 -0.003030 0.213854 0.014806 -0.241742 0.040404 0Rh 5py 0.024809 0.018925 -0.123986 -0.005227 -0.191120 -0.150338 0Rh 6pz -0.464341 0.514784 0.413442 0.011546 -0.235458 -0.106954 0Rh 6px 0.164542 -0.061665 -1.114730 0.018601 0.580722 0.211272 0Rh 6py -0.230163 -0.103630 0.570164 0.000511 0.590158 -0.193208 0Rh 1dz2 0.033911 -0.069299 -0.002926 0.059941 -0.018003 -0.007117 0Rh 1dxz -0.066098 0.081999 -0.011851 -0.087320 0.008879 0.017026 0Rh 1dyz -0.010173 -0.014312 -0.025325 0.003790 -0.030677 -0.051846 0Rh 1dx2y2 -0.018185 0.032587 -0.021491 -0.032401 -0.009850 -0.016581 0Rh 1dxy -0.046667 -0.026043 0.083032 0.002932 0.103363 0.119524 0Rh 2dz2 0.005023 -0.011521 -0.000617 0.008350 -0.003091 -0.001256 0Rh 2dxz -0.010789 0.013232 -0.001459 -0.011916 -0.000029 0.001774 0Rh 2dyz -0.002993 -0.002400 -0.004513 0.000480 -0.005413 -0.007964 0Rh 2dx2y2 -0.003320 0.005326 -0.003685 -0.005011 -0.000772 -0.001669 0Rh 2dxy -0.008387 -0.004186 0.012906 0.000159 0.016454 0.015978 0Rh 3dz2 -0.146864 0.307072 0.013245 -0.258805 0.080453 0.032095 0Rh 3dxz 0.291884 -0.361928 0.049779 0.376396 -0.032847 -0.071301 0Rh 3dyz 0.051454 0.063656 0.114028 -0.015976 0.138148 0.228755 0Rh 3dx2y2 0.081618 -0.143786 0.096867 0.142189 0.040228 0.068981 0Rh 3dxy 0.209690 0.114930 -0.364817 -0.011439 -0.457221 -0.516604 0Rh 4dz2 0.193379 -0.422676 -0.015507 0.342548 -0.110940 -0.045768 0Rh 4dxz -0.400666 0.497016 -0.059202 -0.498676 0.036070 0.090454 0Rh 4dyz -0.086146 -0.089056 -0.160929 0.017612 -0.195277 -0.314957 0Rh 4dx2y2 -0.112208 0.195885 -0.143873 -0.193420 -0.053383 -0.086001 0Rh 4dxy -0.294898 -0.158540 0.495879 0.011742 0.631865 0.693366 0Rh 5dz2 -0.130840 0.348904 -0.033301 -0.220173 0.076818 0.047968 0Rh 5dxz 0.349577 -0.422588 -0.030506 0.340660 -0.022684 -0.035726 0Rh 5dyz 0.118457 0.074089 0.137255 0.046083 0.170934 0.254585 0Rh 5dx2y2 0.072234 -0.150303 0.226823 0.161994 0.070483 0.031281 0Rh 5dxy 0.263742 0.139352 -0.370146 0.025374 -0.526380 -0.509428 0Rh 1f0 0.005889 -0.017585 -0.005871 -0.008441 -0.005521 -0.005873 0Rh 1f+1 0.023374 -0.024585 0.010720 -0.003210 0.008463 -0.003177 0Rh 1f-1 -0.005906 -0.006451 0.004950 0.010295 -0.001464 -0.010712 0Rh 1f+2 -0.020247 0.016152 0.014608 -0.005771 0.021831 -0.010063 0Rh 1f-2 0.000910 0.013464 -0.007248 0.002812 -0.008024 -0.018513 0Rh 1f+3 -0.002572 -0.012058 0.028245 0.008488 0.029884 -0.005421 0Rh 1f-3 0.008318 -0.003180 -0.017849 0.000381 -0.018048 0.012437 1Rh 1s -0.002430 0.001001 0.011595 0.001218 0.004919 0.000172 1Rh 2s 0.022334 -0.009596 -0.106256 -0.010553 -0.038574 -0.001235 1Rh 3s -0.001041 0.000190 0.005184 0.000911 0.006113 0.000283 1Rh 4s -0.123159 0.052928 0.586854 0.058388 0.213771 0.006902 1Rh 5s 0.279419 -0.121870 -1.333850 -0.131061 -0.463621 -0.014784 1Rh 6s -0.267689 0.124814 1.276683 0.117860 0.344123 0.010064 1Rh 7s 0.421035 -0.300231 -1.933334 -0.076655 0.514015 0.014546 1Rh 8s -0.038710 0.067375 0.196591 -0.037685 -0.212048 0.256349 1Rh 1pz -0.002146 0.001591 0.000375 -0.005093 0.000537 0.001990 1Rh 1px -0.000374 0.001460 0.001879 -0.002501 -0.007300 -0.001898 1Rh 1py -0.003293 -0.000838 0.000361 0.000376 -0.000804 0.009334 1Rh 2pz 0.008867 -0.006957 -0.001530 0.019143 -0.001781 -0.007569 1Rh 2px 0.001481 -0.005769 -0.006737 0.009557 0.027514 0.007083 1Rh 2py 0.012926 0.003317 -0.001911 -0.001473 0.002404 -0.035644 1Rh 3pz -0.030987 0.031852 0.005343 -0.029160 -0.002670 0.013061 1Rh 3px -0.003586 0.014536 0.001485 -0.017828 -0.041531 -0.009362 1Rh 3py -0.031379 -0.008756 0.015210 0.003542 0.010682 0.064773 1Rh 4pz 0.061735 -0.081931 -0.013316 -0.035768 0.028053 0.009234 1Rh 4px 0.000899 -0.012166 0.063597 -0.004440 -0.065148 -0.020223 1Rh 4py 0.025853 0.010418 -0.053063 -0.003043 -0.074249 0.029339 1Rh 5pz -0.120763 0.166790 0.043078 0.112193 -0.065679 -0.037223 1Rh 5px 0.013491 0.002178 -0.212730 0.034776 0.240027 0.048956 1Rh 5py -0.023723 -0.018076 0.122384 0.002901 0.191205 -0.163234 1Rh 6pz 0.468011 -0.519137 -0.413770 0.036938 0.235183 -0.163241 1Rh 6px -0.184318 0.069700 1.117013 -0.044905 -0.572068 0.263052 1Rh 6py 0.232386 0.104491 -0.568416 -0.010607 -0.593953 -0.164708 1Rh 1dz2 0.034744 -0.072439 -0.003464 -0.061447 -0.014351 0.005272 1Rh 1dxz -0.064662 0.080861 -0.009996 0.087736 0.002686 -0.019226 1Rh 1dyz -0.011276 -0.014041 -0.025428 -0.003910 -0.030205 0.055655 1Rh 1dx2y2 -0.017528 0.030223 -0.020501 0.032146 -0.012693 0.025115 1Rh 1dxy -0.044816 -0.025507 0.082016 0.001160 0.102756 -0.128674 1Rh 2dz2 0.005153 -0.012056 -0.000677 -0.008591 -0.002589 0.000964 1Rh 2dxz -0.010591 0.013063 -0.001190 0.011883 -0.000877 -0.002171 1Rh 2dyz -0.003159 -0.002466 -0.004506 -0.000538 -0.005312 0.008523 1Rh 2dx2y2 -0.003192 0.004946 -0.003537 0.005039 -0.001194 0.003047 1Rh 2dxy -0.008141 -0.004155 0.012774 0.000511 0.016355 -0.017298 1Rh 3dz2 -0.150512 0.321054 0.015489 0.265458 0.064696 -0.023993 1Rh 3dxz 0.285712 -0.356969 0.041715 -0.377772 -0.006108 0.081201 1Rh 3dyz 0.056253 0.062987 0.114364 0.016683 0.135944 -0.245471 1Rh 3dx2y2 0.078629 -0.133362 0.092545 -0.141371 0.052641 -0.106806 1Rh 3dxy 0.201776 0.112836 -0.360473 -0.006730 -0.454515 0.556688 1Rh 4dz2 0.198320 -0.442098 -0.018257 -0.351635 -0.090030 0.035190 1Rh 4dxz -0.392580 0.490360 -0.048372 0.499784 0.000527 -0.103765 1Rh 4dyz -0.092499 -0.089470 -0.161032 -0.018884 -0.192169 0.338133 1Rh 4dx2y2 -0.107985 0.181661 -0.138081 0.192773 -0.070195 0.137540 1Rh 4dxy -0.284569 -0.156321 0.490225 0.013496 0.628008 -0.749030 1Rh 5dz2 -0.134646 0.366652 -0.033104 0.227068 0.062952 -0.047192 1Rh 5dxz 0.344727 -0.418055 -0.038590 -0.339477 0.001661 0.036829 1Rh 5dyz 0.122101 0.083030 0.133784 -0.044463 0.170741 -0.275945 1Rh 5dx2y2 0.068032 -0.138532 0.222540 -0.162696 0.084024 -0.059408 1Rh 5dxy 0.256449 0.141180 -0.367338 -0.047170 -0.521200 0.561617 1Rh 1f0 -0.006089 0.017298 0.005842 -0.008091 0.006098 -0.002553 1Rh 1f+1 -0.023475 0.024955 -0.010952 -0.003407 -0.008192 -0.005367 1Rh 1f-1 0.005962 0.006588 -0.004787 0.010579 0.000792 -0.012012 1Rh 1f+2 0.020515 -0.016216 -0.014926 -0.006788 -0.021488 -0.012890 1Rh 1f-2 -0.000728 -0.013136 0.007137 0.003187 0.007477 -0.021190 1Rh 1f+3 0.003089 0.011586 -0.028159 0.007441 -0.030467 -0.008329 1Rh 1f-3 -0.008295 0.002760 0.017789 0.000915 0.017916 0.007489 2C 1s 0.008867 0.002926 -0.005973 -0.003942 0.003134 -0.000440 2C 2s 0.024173 0.010056 -0.015482 -0.008966 0.008313 -0.003771 2C 3s -0.112867 -0.149733 0.038756 -0.146850 0.076377 0.276564 2C 4s -0.676713 0.258661 0.552713 1.617622 -1.256115 -1.769123 2C 5s 0.133576 -0.483009 -1.086690 -0.949952 0.589834 0.404845 2C 1pz -0.155829 -0.090125 0.101323 0.033230 -0.046827 0.054133 2C 1px -0.062602 0.001355 0.034417 0.012092 0.013646 0.013879 2C 1py -0.105702 -0.043806 0.070406 0.029596 -0.024878 0.044014 2C 2pz -0.028362 0.274240 0.326934 0.840625 -0.395606 -0.966098 2C 2px -0.443446 -0.342530 0.036377 0.706399 -1.295279 -0.878380 2C 2py 0.152322 0.271990 -0.118545 0.248121 -0.440796 -0.577044 2C 3pz 0.045089 -0.059367 -0.306393 -0.132221 0.079626 0.016755 2C 3px 0.158739 0.003103 -0.144222 -0.181243 0.195924 0.141049 2C 3py 0.018890 -0.085878 -0.136302 -0.070219 0.089039 -0.073988 2C 1dz2 -0.066345 -0.037846 0.043086 0.013463 -0.063234 -0.003877 2C 1dxz 0.091566 0.120810 0.018865 -0.123761 0.221720 0.152110 2C 1dyz -0.229642 -0.107334 0.130813 0.145306 -0.198479 -0.067804 2C 1dx2y2 -0.016253 -0.005276 -0.081768 0.021686 -0.155152 -0.092461 2C 1dxy -0.072599 -0.008748 0.095983 0.056496 0.054095 -0.013932 2C 2dz2 0.203013 0.208495 -0.005640 0.135012 0.110644 -0.155171 2C 2dxz 0.153338 -0.086493 -0.180150 0.047208 -0.203680 -0.128080 2C 2dyz 0.359589 0.259721 -0.166852 0.088345 -0.116905 -0.405674 2C 2dx2y2 -0.216792 -0.114924 0.111336 0.128775 -0.197373 -0.013749 2C 2dxy 0.045072 -0.094423 -0.052302 0.122866 -0.253763 -0.187042 2C 1f0 -0.011066 0.088198 0.043405 0.023342 0.109612 0.027413 2C 1f+1 0.202654 0.016487 -0.144242 -0.073498 -0.086033 -0.054056 2C 1f-1 0.233494 0.188266 -0.136544 -0.082377 0.183085 0.000896 2C 1f+2 -0.068472 -0.052862 -0.006405 0.037446 -0.076539 0.016335 2C 1f-2 -0.022923 -0.131448 0.014058 0.080532 -0.196090 -0.089257 2C 1f+3 0.217511 -0.013669 -0.101598 -0.054236 0.000559 -0.035547 2C 1f-3 0.101090 0.059853 -0.027111 -0.059088 0.082724 0.006276 3C 1s -0.005099 -0.006089 -0.007671 -0.002153 0.003897 -0.001814 3C 2s -0.014970 -0.017386 -0.020829 -0.004660 0.009962 -0.002756 3C 3s 0.109991 0.118727 0.077873 -0.122166 0.081427 -0.221730 3C 4s 0.278095 0.240724 0.741953 1.211705 -1.253428 1.866316 3C 5s 0.478866 -0.005157 -0.780325 -0.376767 0.769952 -1.136926 3C 1pz 0.053917 0.058102 0.086809 -0.000349 -0.024220 0.023322 3C 1px 0.034898 0.064000 0.026037 -0.005665 -0.039337 -0.000025 3C 1py -0.106016 -0.121679 -0.141054 -0.015928 0.043523 0.019226 3C 2pz -0.360088 -0.267390 -0.426527 0.011280 0.109892 -0.462459 3C 2px 0.618052 -0.348733 0.647197 0.690479 -0.348076 0.684432 3C 2py 0.115851 -0.098875 -0.412989 -0.678060 0.736761 -1.607748 3C 3pz 0.099536 0.043008 -0.028718 0.074224 -0.011203 0.084081 3C 3px -0.063639 -0.004807 -0.102051 -0.055622 0.153958 -0.165128 3C 3py -0.103951 0.085391 0.289204 0.076559 -0.167549 0.276907 3C 1dz2 0.008660 -0.047385 -0.025553 -0.012327 0.031482 -0.063367 3C 1dxz -0.156864 0.145510 -0.050476 -0.093700 0.005577 0.008463 3C 1dyz -0.229999 -0.117536 -0.312631 -0.163046 0.148661 -0.248641 3C 1dx2y2 -0.026089 0.033687 -0.036631 0.020389 -0.050226 0.132376 3C 1dxy 0.034188 -0.050240 0.012249 0.049244 -0.007141 0.072910 3C 2dz2 -0.043639 0.014127 -0.164025 -0.108134 0.124926 -0.447010 3C 2dxz -0.042818 -0.189359 -0.061355 0.060162 0.093783 -0.049855 3C 2dyz 0.302976 0.205756 0.225621 -0.093397 0.059165 -0.247899 3C 2dx2y2 0.290371 0.108652 0.290217 0.043268 -0.003999 -0.129010 3C 2dxy -0.068935 0.333944 -0.067924 -0.204018 -0.043301 -0.147925 3C 1f0 0.148864 0.123341 0.146866 0.031023 -0.097319 0.024248 3C 1f+1 -0.059025 0.046125 -0.021172 -0.025320 0.024118 -0.056695 3C 1f-1 0.108015 0.055411 0.203346 0.058425 -0.069185 0.233385 3C 1f+2 0.063284 -0.062419 0.131549 0.043754 0.075800 0.018511 3C 1f-2 0.026341 0.114031 -0.047619 -0.046946 -0.108897 0.050039 3C 1f+3 -0.063460 -0.253096 -0.066327 0.002385 0.111413 0.055218 3C 1f-3 0.205853 0.057111 0.230817 0.114155 -0.023073 -0.033772 4C 1s 0.019401 0.006524 -0.006738 -0.015135 0.013629 0.009566 4C 2s 0.054699 0.017749 -0.022565 -0.039514 0.035178 0.022760 4C 3s -0.267814 -0.010465 0.245815 0.151069 -0.011535 0.038547 4C 4s -0.828756 -0.646286 -0.055863 0.629434 -1.229781 -0.724949 4C 5s -0.523236 -0.325089 0.534818 0.556889 -0.427043 -0.477410 4C 1pz 0.265391 0.099685 -0.164854 -0.174404 0.209434 0.098861 4C 1px 0.012572 -0.026253 -0.020441 -0.033835 -0.028275 -0.008865 4C 1py 0.188263 0.063675 -0.126113 -0.143135 0.129826 0.072215 4C 2pz -0.472144 -0.062452 0.311460 1.325558 -1.447315 -1.612917 4C 2px -0.415182 0.518473 0.219521 0.456369 0.090882 -0.432314 4C 2py -0.593237 0.074932 0.379962 1.153623 -0.925278 -1.171561 4C 3pz -0.504780 -0.715774 -0.704690 -0.306588 0.157698 0.003164 4C 3px -0.110703 -0.128290 -0.054769 0.093500 -0.017120 0.039573 4C 3py -0.324818 -0.476140 -0.479076 -0.172375 0.089610 0.084903 4C 1dz2 -0.116505 -0.012352 0.065616 0.043646 -0.034773 -0.017964 4C 1dxz -0.021072 -0.073938 0.054233 -0.020278 -0.048470 0.003899 4C 1dyz -0.204831 -0.056326 0.110513 0.204033 -0.192067 -0.123185 4C 1dx2y2 0.015206 0.031665 -0.071477 0.043892 -0.055596 -0.096391 4C 1dxy -0.043070 -0.045143 -0.010807 0.082546 -0.137899 -0.098316 4C 2dz2 0.325773 0.007047 -0.068346 -0.457490 0.648552 0.609725 4C 2dxz 0.091868 0.047820 -0.256367 -0.208385 0.014340 0.240631 4C 2dyz 0.276861 -0.001274 -0.353791 -0.629377 0.463774 0.552661 4C 2dx2y2 -0.344453 -0.083711 0.091891 0.578882 -0.655061 -0.616987 4C 2dxy -0.162331 -0.201295 0.037812 0.174478 -0.221642 -0.255338 4C 1f0 0.030003 -0.029240 0.068844 -0.053855 0.091173 0.045994 4C 1f+1 0.185261 0.104084 -0.096946 -0.288703 0.296625 0.339272 4C 1f-1 -0.182694 -0.071060 0.076200 0.106644 -0.212743 -0.060769 4C 1f+2 0.031205 -0.044984 -0.101825 0.020224 -0.146536 -0.105553 4C 1f-2 -0.015270 0.005011 0.084403 -0.002331 0.150614 0.030903 4C 1f+3 -0.032559 -0.169818 0.111953 0.045264 0.018947 0.024465 4C 1f-3 0.227607 -0.038515 -0.045114 -0.207689 0.170488 0.204601 5C 1s -0.014103 -0.011373 -0.011657 -0.010648 0.014062 -0.011886 5C 2s -0.038263 -0.032123 -0.036305 -0.027430 0.036237 -0.030661 5C 3s 0.121053 0.125780 0.290947 0.067485 -0.047120 0.084259 5C 4s 0.767273 0.769457 0.149459 0.540623 -1.158399 0.545846 5C 5s 0.178042 0.553441 0.479615 0.303738 -0.421294 0.800292 5C 1pz -0.122068 -0.120073 -0.181965 -0.107914 0.137310 -0.166100 5C 1px -0.005747 -0.089916 -0.046787 0.011321 0.060939 -0.064442 5C 1py 0.165040 0.163483 0.230896 0.129366 -0.173494 0.142783 5C 2pz 0.342402 0.174208 0.714102 0.811203 -0.732338 1.364563 5C 2px -0.045233 0.450093 -0.224611 0.220724 -0.942007 0.913783 5C 2py -0.365304 -0.137604 -0.673252 -1.173458 1.074364 -1.504308 5C 3pz 0.484358 0.266889 -0.221872 -0.012530 0.179502 -0.372153 5C 3px 0.321472 0.129927 -0.230789 -0.108823 0.065323 -0.067191 5C 3py -0.822026 -0.459908 0.334934 -0.012584 -0.263604 0.495876 5C 1dz2 -0.065284 -0.008363 -0.032373 -0.097923 0.091210 -0.098838 5C 1dxz 0.033320 0.019621 0.085381 -0.003122 0.023483 -0.013685 5C 1dyz -0.110122 -0.134310 -0.095291 -0.107765 0.205201 -0.167020 5C 1dx2y2 -0.026264 -0.099651 -0.090302 0.012976 0.031884 -0.002915 5C 1dxy -0.086863 -0.037949 -0.154620 -0.075424 0.052774 -0.085399 5C 2dz2 -0.115672 -0.138732 -0.175754 -0.142500 0.194304 -0.447603 5C 2dxz -0.171876 -0.083567 -0.133789 -0.248960 0.390290 -0.484887 5C 2dyz 0.166194 0.028165 0.386945 0.350682 -0.417145 0.715312 5C 2dx2y2 0.415041 0.172151 0.454041 0.632249 -0.635338 0.716376 5C 2dxy -0.212078 0.292180 0.178831 0.154980 -0.172421 0.329678 5C 1f0 -0.108229 -0.180891 -0.282207 -0.156347 0.095164 -0.187457 5C 1f+1 -0.163966 -0.077588 0.002358 -0.099520 0.234247 -0.116339 5C 1f-1 -0.112176 0.009190 -0.128113 -0.051734 0.094496 -0.248828 5C 1f+2 -0.108736 -0.028660 -0.089673 -0.073201 0.117308 -0.094029 5C 1f-2 0.137629 -0.120797 0.052972 0.131774 -0.029163 0.022353 5C 1f+3 0.027035 -0.136049 -0.044456 -0.105224 0.146622 -0.281953 5C 1f-3 0.087125 0.037548 0.013428 0.133337 -0.201034 0.244199 6C 1s -0.013670 -0.011546 -0.011247 0.011892 0.013427 0.012536 6C 2s -0.037054 -0.032575 -0.035228 0.030806 0.034639 0.031517 6C 3s 0.115370 0.127420 0.286599 -0.078555 -0.045362 -0.045340 6C 4s 0.745962 0.777895 0.135433 -0.621559 -1.121178 -0.729906 6C 5s 0.181119 0.559847 0.466858 -0.343064 -0.405917 -0.821687 6C 1pz 0.117325 0.121965 0.177748 -0.120754 -0.131034 -0.167176 6C 1px 0.004681 0.087784 0.046187 0.006792 -0.060730 -0.058697 6C 1py -0.159210 -0.166295 -0.226446 0.147381 0.167037 0.143020 6C 2pz -0.331372 -0.183748 -0.684953 0.867784 0.676778 1.432287 6C 2px 0.042198 -0.450850 0.232342 0.268013 0.922173 0.907461 6C 2py 0.358358 0.154587 0.637986 -1.256472 -0.998687 -1.609028 6C 3pz -0.476182 -0.266504 0.216567 -0.023312 -0.177766 -0.344286 6C 3px -0.318845 -0.126657 0.225847 -0.117964 -0.061044 -0.044062 6C 3py 0.808643 0.456865 -0.327086 0.006160 0.265773 0.446709 6C 1dz2 -0.063297 -0.010696 -0.029059 0.103761 0.085181 0.111213 6C 1dxz 0.031333 0.021984 0.085435 0.001811 0.022658 0.016389 6C 1dyz -0.106479 -0.135420 -0.090927 0.123535 0.198423 0.176410 6C 1dx2y2 -0.024987 -0.098033 -0.090446 -0.008995 0.033167 -0.018618 6C 1dxy -0.084087 -0.040454 -0.152497 0.083505 0.049391 0.092599 6C 2dz2 -0.112794 -0.142426 -0.171671 0.158679 0.182874 0.476942 6C 2dxz -0.168377 -0.086233 -0.123780 0.272763 0.370511 0.494984 6C 2dyz 0.160494 0.038994 0.374613 -0.385111 -0.394814 -0.722458 6C 2dx2y2 0.405625 0.186392 0.436840 -0.685849 -0.596282 -0.767327 6C 2dxy -0.207350 0.279321 0.173033 -0.165553 -0.160362 -0.329453 6C 1f0 0.103588 0.180682 0.277052 -0.169759 -0.086325 -0.202897 6C 1f+1 0.159812 0.080000 -0.006588 -0.113874 -0.226911 -0.123017 6C 1f-1 0.108608 -0.006436 0.124510 -0.058449 -0.089987 -0.246128 6C 1f+2 0.105744 0.032486 0.088381 -0.085057 -0.113269 -0.098136 6C 1f-2 -0.135096 0.115705 -0.049973 0.137125 0.021590 0.052883 6C 1f+3 -0.026213 0.134413 0.042494 -0.115222 -0.139012 -0.315809 6C 1f-3 -0.085478 -0.039160 -0.007865 0.143894 0.190017 0.250823 7C 1s 0.019302 0.006833 -0.006363 0.016030 0.012587 -0.008442 7C 2s 0.054387 0.018571 -0.021572 0.041920 0.032469 -0.020630 7C 3s -0.265601 -0.013074 0.241418 -0.156526 -0.001280 -0.011519 7C 4s -0.825504 -0.661622 -0.070198 -0.695516 -1.186392 0.548722 7C 5s -0.527733 -0.328403 0.528413 -0.593149 -0.384183 0.480899 7C 1pz -0.264478 -0.104123 0.161474 -0.189851 -0.197614 0.099421 7C 1px -0.011713 0.028611 0.018429 -0.030987 0.030417 -0.009447 7C 1py -0.186306 -0.065851 0.122681 -0.152215 -0.118410 0.066864 7C 2pz 0.494241 0.082986 -0.298006 1.422875 1.352922 -1.537806 7C 2px 0.418326 -0.516998 -0.211281 0.455756 -0.119740 -0.386861 7C 2py 0.596057 -0.062932 -0.360520 1.218068 0.835509 -1.081620 7C 3pz 0.502213 0.715843 0.703009 -0.336902 -0.130108 0.064200 7C 3px 0.107921 0.126310 0.056296 0.094813 0.014527 0.034477 7C 3py 0.323548 0.477251 0.479998 -0.191740 -0.071103 0.117464 7C 1dz2 -0.113896 -0.012827 0.063241 -0.046159 -0.031196 0.015111 7C 1dxz -0.020651 -0.075193 0.054771 0.015999 -0.049280 0.010427 7C 1dyz -0.205167 -0.059269 0.106539 -0.216919 -0.177808 0.111060 7C 1dx2y2 0.015100 0.031315 -0.072650 -0.046750 -0.051929 0.078901 7C 1dxy -0.043867 -0.048878 -0.011373 -0.091033 -0.132195 0.091058 7C 2dz2 0.331261 0.024608 -0.066027 0.503513 0.621949 -0.599833 7C 2dxz 0.093870 0.035052 -0.248364 0.208929 -0.001630 -0.225097 7C 2dyz 0.282465 0.004403 -0.343977 0.663263 0.414137 -0.524852 7C 2dx2y2 -0.349548 -0.094802 0.084508 -0.618361 -0.609886 0.574129 7C 2dxy -0.164657 -0.211526 0.037618 -0.193477 -0.210548 0.224416 7C 1f0 -0.028899 0.025513 -0.071946 -0.057594 -0.085785 0.030182 7C 1f+1 -0.188664 -0.107448 0.093623 -0.307614 -0.272105 0.305589 7C 1f-1 0.182365 0.076411 -0.074868 0.120546 0.206558 -0.073380 7C 1f+2 -0.028177 0.047446 0.100293 0.027980 0.148117 -0.100998 7C 1f-2 0.015476 -0.008523 -0.082635 -0.012288 -0.151596 0.040042 7C 1f+3 0.029008 0.166906 -0.108430 0.045077 -0.025373 0.034755 7C 1f-3 -0.223818 0.035893 0.039641 -0.218494 -0.157570 0.185494 8C 1s -0.004875 -0.006150 -0.007571 0.002644 0.003808 0.001300 8C 2s -0.014329 -0.017533 -0.020595 0.005971 0.009800 0.001441 8C 3s 0.105108 0.117359 0.081209 0.123181 0.072407 0.234347 8C 4s 0.271815 0.258267 0.702324 -1.302533 -1.174141 -1.915809 8C 5s 0.474456 -0.016909 -0.755290 0.437681 0.750565 1.111542 8C 1pz -0.051945 -0.058770 -0.086201 0.003913 0.024853 0.017798 8C 1px -0.033681 -0.063862 -0.026006 -0.002377 0.040009 -0.006525 8C 1py 0.101394 0.122174 0.139984 -0.023271 -0.043709 0.026825 8C 2pz 0.341237 0.271424 0.422726 -0.001553 -0.106137 -0.475918 8C 2px -0.604823 0.314810 -0.634454 0.740579 0.312328 0.791110 8C 2py -0.114554 0.098997 0.386732 -0.717962 -0.682729 -1.627712 8C 3pz -0.096857 -0.041669 0.029212 0.072522 0.003829 0.094708 8C 3px 0.061563 0.009510 0.101406 -0.069550 -0.152045 -0.169450 8C 3py 0.104676 -0.085354 -0.283193 0.091167 0.162948 0.259100 8C 1dz2 0.006637 -0.044586 -0.026586 0.015149 0.030669 0.058511 8C 1dxz -0.152711 0.137239 -0.047724 0.097349 0.000057 0.010096 8C 1dyz -0.221591 -0.121811 -0.307337 0.180567 0.138468 0.253936 8C 1dx2y2 -0.025778 0.029968 -0.037593 -0.020360 -0.046238 -0.142775 8C 1dxy 0.034478 -0.047606 0.012554 -0.050687 -0.004297 -0.087110 8C 2dz2 -0.041878 0.010003 -0.159530 0.117677 0.115961 0.463081 8C 2dxz -0.040888 -0.185152 -0.061472 -0.052839 0.097015 0.042560 8C 2dyz 0.290654 0.209602 0.226899 0.087456 0.049803 0.263851 8C 2dx2y2 0.280601 0.114868 0.289110 -0.055747 -0.004937 0.128970 8C 2dxy -0.068933 0.323130 -0.062637 0.204476 -0.056243 0.184219 8C 1f0 -0.144020 -0.125915 -0.145982 0.041863 0.097170 0.011010 8C 1f+1 0.059772 -0.041284 0.021781 -0.027850 -0.024464 -0.052592 8C 1f-1 -0.104279 -0.057842 -0.199703 0.066865 0.065782 0.234992 8C 1f+2 -0.061907 0.059209 -0.131863 0.044342 -0.077306 0.039647 8C 1f-2 -0.024572 -0.109172 0.049396 -0.043972 0.109333 0.027152 8C 1f+3 0.060875 0.251282 0.066621 -0.007841 -0.113435 0.062431 8C 1f-3 -0.197072 -0.061065 -0.226248 0.124406 0.017586 -0.016328 9C 1s 0.008804 0.003023 -0.005851 0.004185 0.002860 0.000232 9C 2s 0.023929 0.010326 -0.015144 0.009576 0.007710 0.003234 9C 3s -0.106378 -0.150063 0.038068 0.153169 0.064852 -0.264295 9C 4s -0.701324 0.241093 0.534018 -1.708930 -1.136771 1.694258 9C 5s 0.135576 -0.473816 -1.073424 1.012497 0.514236 -0.433449 9C 1pz 0.152634 0.091408 -0.099389 0.036692 0.044711 0.047207 9C 1px 0.061704 -0.001473 -0.033609 0.011714 -0.014223 0.014022 9C 1py 0.104920 0.045296 -0.068935 0.031772 0.023002 0.041034 9C 2pz 0.030293 -0.278113 -0.309524 0.860879 0.313405 -0.890457 9C 2px 0.451130 0.379060 -0.039090 0.794841 1.239590 -0.857566 9C 2py -0.121703 -0.259813 0.105320 0.298963 0.454688 -0.630742 9C 3pz -0.042024 0.059229 0.301129 -0.140972 -0.064519 0.025282 9C 3px -0.160087 -0.007308 0.144365 -0.197852 -0.181505 0.148288 9C 3py -0.020972 0.083776 0.139281 -0.082766 -0.088792 -0.048958 9C 1dz2 -0.068657 -0.042152 0.043086 -0.021095 -0.065788 0.016247 9C 1dxz 0.091582 0.128941 0.019405 0.138828 0.212741 -0.138044 9C 1dyz -0.226089 -0.111664 0.128173 -0.157779 -0.186554 0.073785 9C 1dx2y2 -0.018518 -0.010001 -0.080820 -0.031070 -0.156107 0.094896 9C 1dxy -0.069340 -0.005419 0.090681 -0.052629 0.058209 0.003569 9C 2dz2 0.200752 0.215364 -0.008162 -0.124205 0.127222 0.126358 9C 2dxz 0.148820 -0.095894 -0.175918 -0.058501 -0.198275 0.123486 9C 2dyz 0.349315 0.260569 -0.162529 -0.098777 -0.112728 0.401398 9C 2dx2y2 -0.212888 -0.118298 0.108502 -0.137834 -0.183293 0.008860 9C 2dxy 0.042076 -0.104137 -0.051971 -0.141349 -0.245823 0.175679 9C 1f0 0.011903 -0.090236 -0.041604 0.016809 -0.113308 0.038987 9C 1f+1 -0.195953 -0.013046 0.139487 -0.066963 0.091861 -0.061546 9C 1f-1 -0.233071 -0.192619 0.136259 -0.095428 -0.177723 0.009373 9C 1f+2 0.061454 0.055324 0.012099 0.039534 0.071866 0.023532 9C 1f-2 0.021407 0.135015 -0.012784 0.091403 0.188311 -0.094219 9C 1f+3 -0.212826 0.013862 0.096675 -0.054991 0.003454 -0.038056 9C 1f-3 -0.109103 -0.064345 0.029186 -0.067915 -0.080269 0.002565 10H 1s 0.112297 -0.003329 -0.088244 -0.059084 0.063430 0.046005 10H 2s 0.422152 0.212604 -0.048891 -0.396042 0.738799 0.442924 10H 3s -0.215036 -0.071444 0.094797 0.279040 -0.343772 -0.251394 10H 1pz 0.243841 0.093298 -0.060407 -0.202578 0.289727 0.174078 10H 1px -0.081769 -0.073827 -0.035201 0.104426 -0.271255 -0.171848 10H 1py 0.109619 0.026202 -0.016904 -0.081966 0.134848 0.072481 11H 1s 0.110697 0.055717 -0.069198 -0.049443 0.012922 -0.037570 11H 2s -0.253107 -0.214455 0.188991 0.361629 -0.400466 -0.313032 11H 3s 0.094419 0.108051 -0.075721 -0.054755 0.101868 0.099680 11H 1pz -0.074195 -0.088001 0.039545 0.120001 -0.112472 -0.096219 11H 1px -0.085656 -0.075891 0.071344 0.114605 -0.135687 -0.115210 11H 1py 0.113092 0.048467 -0.056163 -0.079458 0.118759 0.073226 12H 1s 0.092621 0.030230 -0.038962 -0.020795 0.026564 -0.015355 12H 2s 0.015864 0.015224 -0.172641 -0.035771 -0.348274 -0.089468 12H 3s -0.006207 -0.000984 0.112678 0.098132 0.105564 -0.039513 12H 1pz 0.100076 0.066870 -0.094699 -0.084964 0.085194 0.039900 12H 1px 0.020769 0.020969 -0.036664 -0.017679 -0.071953 -0.020890 12H 1py 0.018537 0.003638 -0.104170 -0.035486 -0.153826 -0.029845 13H 1s -0.022905 -0.088587 -0.073515 -0.016021 0.069417 -0.062586 13H 2s -0.486916 -0.009464 -0.456579 -0.377109 0.320772 -0.508899 13H 3s 0.200613 0.015309 0.205848 0.214237 -0.213432 0.329262 13H 1pz -0.209320 0.011842 -0.174192 -0.154288 0.136355 -0.190153 13H 1px 0.102784 -0.048635 0.096829 0.092141 -0.032631 0.111088 13H 1py 0.191229 0.080527 0.167236 0.132718 -0.160588 0.164918 14H 1s -0.077834 -0.044494 -0.073045 -0.022297 0.049694 -0.022257 14H 2s 0.218814 -0.311896 0.023431 0.067066 0.089067 -0.243587 14H 3s -0.111914 0.129936 0.044840 0.031193 -0.062730 0.185783 14H 1pz 0.082590 -0.114519 -0.008678 0.021307 0.042162 -0.104645 14H 1px 0.092380 -0.141426 0.020852 0.027728 0.044715 -0.102360 14H 1py 0.050172 0.087761 0.119914 0.051201 -0.044312 0.057330 15H 1s -0.067503 -0.086770 -0.065840 -0.006501 0.027726 0.029259 15H 2s 0.175984 0.190932 0.422878 0.253202 -0.307519 0.820924 15H 3s -0.065608 -0.102497 -0.161951 -0.078701 0.072947 -0.241309 15H 1pz -0.093879 -0.076734 -0.179524 -0.101384 0.117653 -0.249203 15H 1px -0.014021 0.019296 0.032700 0.019864 -0.013037 0.080420 15H 1py -0.076947 -0.072064 -0.149539 -0.100913 0.108093 -0.305894 16H 1s 0.099202 -0.306939 0.186517 0.338918 0.030094 0.049451 16H 2s 0.247696 -0.502763 0.085112 0.568505 0.113479 0.177723 16H 3s -0.095714 0.197906 -0.026122 -0.214810 0.033427 0.015829 16H 1pz 0.143587 -0.384668 0.206376 0.420638 0.071335 0.119836 16H 1px -0.011918 0.026911 -0.002872 -0.039195 -0.012656 -0.013095 16H 1py 0.096805 -0.215754 0.099823 0.249145 0.003246 0.026666 17H 1s -0.181879 0.342330 0.052607 -0.379497 0.023380 0.060747 17H 2s -0.333698 0.495183 -0.136971 -0.647259 0.111034 0.188245 17H 3s 0.091153 -0.209701 0.045250 0.215407 0.030811 0.006390 17H 1pz 0.165954 -0.261178 -0.031222 0.298534 -0.039213 -0.084380 17H 1px 0.172796 -0.269494 -0.014127 0.328263 -0.051133 -0.094107 17H 1py -0.168377 0.302204 0.010609 -0.346392 0.009952 0.050056 18H 1s -0.183256 0.343230 0.063396 0.378549 0.003782 -0.058136 18H 2s -0.330128 0.495783 -0.116358 0.661151 0.074358 -0.234711 18H 3s 0.093091 -0.210012 0.038133 -0.215222 0.041763 -0.001545 18H 1pz -0.170574 0.269446 0.040500 0.310032 0.023406 -0.089546 18H 1px -0.172868 0.271109 0.023814 0.332460 0.032977 -0.105490 18H 1py 0.164208 -0.295558 -0.019871 -0.337698 0.009098 0.049012 19H 1s 0.099395 -0.306328 0.175556 -0.340386 0.047277 -0.027055 19H 2s 0.252339 -0.502494 0.066051 -0.557782 0.141111 -0.191274 19H 3s -0.094923 0.197303 -0.019183 0.215933 0.023317 -0.019903 19H 1pz -0.142991 0.378947 -0.190305 0.412591 -0.091282 0.103760 19H 1px 0.013613 -0.030284 0.003285 -0.042216 0.015570 -0.016430 19H 1py -0.099994 0.223004 -0.095656 0.258626 -0.018180 0.016416 20H 1s -0.064754 -0.087261 -0.065341 0.010951 0.028444 -0.032119 20H 2s 0.167701 0.191596 0.413534 -0.276062 -0.286173 -0.846708 20H 3s -0.062802 -0.100864 -0.160228 0.085066 0.065989 0.243675 20H 1pz 0.090672 0.077368 0.176226 -0.111655 -0.110555 -0.250929 20H 1px 0.013462 -0.018929 -0.033724 0.021856 0.012107 0.090400 20H 1py 0.072644 0.072068 0.145460 -0.108284 -0.098600 -0.318775 21H 1s -0.075089 -0.046373 -0.071382 0.027177 0.048818 0.011725 21H 2s 0.217439 -0.297649 0.025107 -0.071102 0.086977 0.210212 21H 3s -0.110553 0.124022 0.041199 -0.031797 -0.058390 -0.178530 21H 1pz -0.082140 0.110044 0.007957 0.021403 -0.041893 -0.098069 21H 1px -0.091164 0.134352 -0.021303 0.029142 -0.043617 -0.088242 21H 1py -0.047238 -0.087927 -0.118023 0.057522 0.041494 0.064210 22H 1s -0.021663 -0.087962 -0.073080 0.022535 0.068863 0.062520 22H 2s -0.472664 -0.026339 -0.446948 0.413318 0.298548 0.563237 22H 3s 0.194693 0.023971 0.199525 -0.233922 -0.200753 -0.351843 22H 1pz 0.202206 -0.003958 0.168979 -0.168069 -0.126782 -0.206741 22H 1px -0.100290 0.044413 -0.095691 0.098276 0.027147 0.133665 22H 1py -0.185729 -0.085285 -0.163954 0.149128 0.153076 0.177464 23H 1s 0.092494 0.032371 -0.037434 0.023622 0.025107 0.015345 23H 2s 0.003744 0.002242 -0.161575 0.005289 -0.366190 0.139058 23H 3s -0.001899 0.003842 0.105664 -0.089070 0.118515 0.013260 23H 1pz -0.099020 -0.066885 0.093498 -0.090000 -0.078267 0.042146 23H 1px -0.018487 -0.018806 0.033547 -0.011524 0.074053 -0.032266 23H 1py -0.012400 0.003096 0.098963 -0.021795 0.164776 -0.053248 24H 1s 0.109004 0.056424 -0.068106 0.050478 0.009776 0.035843 24H 2s -0.241629 -0.222279 0.179753 -0.383695 -0.361305 0.271845 24H 3s 0.091280 0.109253 -0.073721 0.059838 0.092333 -0.088874 24H 1pz 0.068617 0.090261 -0.036097 0.123956 0.097637 -0.076613 24H 1px 0.083794 0.078682 -0.069515 0.123844 0.124925 -0.105254 24H 1py -0.110269 -0.050967 0.052664 -0.086478 -0.110801 0.068351 25H 1s 0.112311 -0.003814 -0.087409 0.064009 0.059039 -0.049495 25H 2s 0.425430 0.233530 -0.048983 0.446521 0.711577 -0.431533 25H 3s -0.216959 -0.081525 0.094248 -0.304627 -0.323756 0.246795 25H 1pz -0.244030 -0.102352 0.058675 -0.223178 -0.277073 0.166289 25H 1px 0.084202 0.081330 0.033723 0.122232 0.263892 -0.169746 25H 1py -0.110361 -0.030015 0.016778 -0.090939 -0.127119 0.067412 26O 1s -0.001489 0.000569 -0.002341 0.007844 -0.005294 -0.005023 26O 2s -0.002214 0.000736 -0.008755 0.022449 -0.012955 -0.011144 26O 3s -0.086461 0.015369 0.100002 -0.044808 -0.032498 -0.082072 26O 4s 0.617205 -0.114204 -0.416562 -0.438104 0.589470 0.818428 26O 5s 0.433908 0.541555 0.683469 -0.952399 0.845607 0.719834 26O 1pz 0.032618 -0.068355 -0.040111 0.005116 -0.097947 -0.025106 26O 1px 0.006152 0.045516 0.017611 0.020221 -0.021145 -0.025662 26O 1py 0.006968 -0.054046 0.021790 0.031592 -0.045440 -0.024959 26O 2pz -0.172265 0.141037 0.133541 0.098439 0.162075 -0.042470 26O 2px -0.393313 -0.100410 0.003091 0.439870 -0.400386 -0.511819 26O 2py -0.190715 0.152534 -0.054139 0.155831 -0.121950 -0.221508 26O 3pz 0.014755 -0.064030 0.419965 0.102230 -0.181880 -0.218792 26O 3px -0.267190 -0.100478 0.326450 0.450162 -0.502992 -0.483552 26O 3py -0.114373 0.033738 0.214051 0.240341 -0.430939 -0.261725 26O 1dz2 0.006026 -0.003364 0.011965 -0.010611 0.016005 0.009670 26O 1dxz -0.003510 0.001727 0.003361 0.004000 -0.011749 -0.012074 26O 1dyz -0.002939 0.005420 0.001239 0.001103 -0.012999 -0.003834 26O 1dx2y2 -0.005728 -0.005107 0.002111 0.009398 -0.007832 -0.015454 26O 1dxy -0.003268 -0.002071 0.002637 0.009036 -0.013192 -0.016958 26O 2dz2 -0.079597 -0.022716 0.034721 0.097207 -0.107858 -0.141273 26O 2dxz 0.043424 -0.030268 -0.053000 -0.065905 -0.018868 0.051281 26O 2dyz -0.019224 -0.026482 -0.003310 -0.002162 -0.075895 -0.010639 26O 2dx2y2 0.121658 0.079796 -0.066343 -0.130461 0.088723 0.108780 26O 2dxy 0.074328 -0.102454 0.077940 -0.092735 0.144676 0.141004 26O 1f0 0.019287 0.002970 -0.005740 -0.007951 0.010055 -0.005006 26O 1f+1 0.014100 -0.025963 -0.003629 0.001373 -0.011676 -0.001934 26O 1f-1 -0.010689 -0.017563 0.001510 0.015444 -0.021797 -0.014104 26O 1f+2 -0.019909 0.004864 0.020626 -0.002911 0.017920 0.015443 26O 1f-2 -0.013569 -0.016483 -0.007524 0.011234 -0.039814 -0.019858 26O 1f+3 -0.027066 -0.023006 0.022413 0.010916 -0.005871 0.002285 26O 1f-3 0.012823 0.005222 -0.017328 -0.021472 0.004815 0.018980 27O 1s 0.001756 0.000937 -0.000712 0.002587 -0.003521 0.007097 27O 2s 0.004189 0.003132 -0.003684 0.004190 -0.007012 0.018162 27O 3s 0.025390 0.017215 0.062711 0.078625 -0.098767 0.026384 27O 4s -0.286751 -0.240496 -0.366759 -0.580993 0.804653 -0.753938 27O 5s -0.704367 -0.405613 0.249025 -0.324913 0.595868 -0.662072 27O 1pz 0.018928 0.008498 0.070080 0.009326 0.029731 0.024749 27O 1px -0.037258 0.031723 0.010247 -0.005030 -0.043103 0.056487 27O 1py -0.052584 0.050714 -0.072108 -0.025667 -0.019148 -0.006496 27O 2pz -0.040439 -0.031907 -0.195485 -0.046712 -0.070291 -0.084651 27O 2px 0.349206 0.150212 0.017948 0.370086 -0.494162 0.465120 27O 2py 0.071599 -0.250637 0.151931 -0.007057 0.210472 -0.143059 27O 3pz 0.052838 -0.126538 0.126954 0.025617 -0.054489 0.130612 27O 3px 0.132713 0.239188 0.336909 0.239384 -0.547198 0.587307 27O 3py 0.117888 -0.059399 -0.446738 -0.137513 0.105822 -0.337408 27O 1dz2 0.003617 -0.005423 -0.011960 -0.009093 -0.002129 -0.007665 27O 1dxz -0.002709 -0.004851 0.001388 -0.001613 0.004652 0.000452 27O 1dyz -0.003932 0.008686 -0.012070 -0.007212 -0.001806 -0.008799 27O 1dx2y2 0.011241 -0.000040 -0.001584 0.007750 -0.016668 0.018325 27O 1dxy -0.005824 0.004909 -0.012849 -0.009928 0.004872 -0.014122 27O 2dz2 0.076782 0.009697 -0.047487 0.056280 -0.136090 0.082295 27O 2dxz -0.005903 0.107001 0.122524 0.027723 0.024022 0.052756 27O 2dyz -0.036581 -0.015835 -0.083655 -0.053030 0.028846 -0.065791 27O 2dx2y2 -0.110874 -0.025687 -0.026822 -0.139906 0.177749 -0.156217 27O 2dxy -0.070726 0.108065 -0.059536 0.009830 -0.085364 0.097100 27O 1f0 -0.017925 -0.034071 -0.019538 -0.010585 0.023078 -0.007488 27O 1f+1 0.013449 -0.020925 -0.005064 -0.003607 0.012490 -0.033372 27O 1f-1 0.002162 -0.001966 0.001769 0.009565 0.000319 -0.010495 27O 1f+2 -0.001672 0.012335 0.017496 0.000242 0.006293 -0.000288 27O 1f-2 -0.019928 0.014245 -0.013680 -0.019799 0.003685 -0.015278 27O 1f+3 0.015468 -0.004814 0.022659 0.011877 0.004926 0.008340 27O 1f-3 0.026020 0.014019 0.012222 0.010444 -0.029601 0.010426 28O 1s -0.004796 -0.002104 -0.000525 0.003879 -0.006566 -0.005519 28O 2s -0.014875 -0.007652 -0.001954 0.008261 -0.018375 -0.014182 28O 3s 0.065244 0.029138 0.029176 0.056848 0.010021 -0.017175 28O 4s 0.074705 0.111356 -0.245995 -0.564723 0.491784 0.488309 28O 5s 0.605967 0.532178 0.386104 -0.160783 0.581603 0.640468 28O 1pz -0.079642 0.015738 0.070060 0.019734 -0.002350 -0.043887 28O 1px -0.017445 0.035565 0.010108 -0.032367 0.109854 0.045155 28O 1py -0.068595 0.045732 0.024010 0.001701 0.017232 0.016469 28O 2pz 0.045105 -0.226178 -0.185593 0.175163 -0.370305 -0.166051 28O 2px 0.179883 0.063987 -0.039708 -0.224081 0.130627 0.255204 28O 2py 0.142662 -0.185433 -0.046797 0.029003 -0.101723 -0.080519 28O 3pz -0.246486 0.114007 0.369467 0.275424 -0.365705 -0.407224 28O 3px 0.159089 0.180869 -0.133558 -0.184326 0.346461 0.299756 28O 3py -0.097753 0.018608 0.361599 0.141188 0.049411 -0.117909 28O 1dz2 -0.003990 0.008779 0.000651 -0.001649 0.005643 0.002834 28O 1dxz 0.011831 0.005517 -0.005588 -0.011487 0.008088 0.012888 28O 1dyz -0.008130 0.007847 0.011710 0.011501 0.006568 -0.003018 28O 1dx2y2 -0.012426 0.004026 -0.005819 0.011876 -0.022814 -0.012902 28O 1dxy -0.004780 -0.001210 0.006095 0.006076 -0.000719 -0.006590 28O 2dz2 -0.073514 0.022268 0.094082 0.037170 0.034775 -0.033985 28O 2dxz -0.006447 -0.012042 -0.072603 0.096860 -0.162239 -0.116558 28O 2dyz -0.092078 0.065864 0.046962 0.050578 -0.017796 -0.008304 28O 2dx2y2 0.072656 0.043446 -0.057656 -0.098888 0.057692 0.101102 28O 2dxy 0.064799 -0.061301 0.037888 0.021058 0.036456 -0.040841 28O 1f0 -0.003650 0.021046 -0.008696 -0.000002 0.003915 -0.002312 28O 1f+1 0.026849 0.023931 -0.020240 -0.025926 0.037060 0.017867 28O 1f-1 -0.013018 -0.004935 -0.000232 0.013667 -0.014016 -0.017160 28O 1f+2 0.011862 -0.010797 -0.003089 -0.005554 -0.013332 -0.014732 28O 1f-2 0.013658 -0.011862 -0.005359 -0.011838 0.005623 0.007924 28O 1f+3 0.019790 0.010551 -0.021756 -0.006243 -0.007785 -0.000338 28O 1f-3 0.025377 0.018285 -0.004451 -0.009832 0.040788 0.005148 29O 1s 0.003925 -0.002339 -0.014354 0.001577 -0.000011 -0.001781 29O 2s 0.015431 -0.008865 -0.054638 0.006483 -0.001027 -0.009106 29O 3s -0.161427 0.086734 0.538429 -0.073530 0.031234 0.138342 29O 4s 0.380022 -0.209014 -1.275257 0.177781 -0.034783 -0.356306 29O 5s -0.270292 0.234125 1.297209 -0.074446 -0.431752 -0.082372 29O 1pz -0.088686 0.223297 -0.061769 -0.243008 -0.002991 -0.014281 29O 1px -0.048781 0.092285 0.013874 -0.101784 -0.011933 0.035084 29O 1py 0.039621 -0.022554 -0.056030 0.033327 -0.047762 -0.069880 29O 2pz 0.457954 -1.021006 0.264676 1.134445 0.027828 0.054945 29O 2px 0.227222 -0.401442 -0.003290 0.460275 -0.005200 -0.138100 29O 2py -0.153927 0.115528 0.207615 -0.157611 0.142477 0.239785 29O 3pz -0.031802 0.125444 0.105379 -0.082562 -0.017118 0.017214 29O 3px 0.093316 -0.023778 -0.398513 0.010433 0.042573 -0.035435 29O 3py 0.039736 -0.036058 -0.208770 0.008579 0.029465 0.030298 29O 1dz2 -0.003539 0.000959 0.002229 0.000384 0.000893 0.001985 29O 1dxz 0.007415 -0.006517 -0.006677 0.004060 -0.001269 -0.002225 29O 1dyz 0.007828 -0.017735 0.003601 0.014611 0.003837 0.003595 29O 1dx2y2 -0.004034 -0.001389 0.022498 -0.001157 0.006417 0.010321 29O 1dxy 0.008131 -0.004470 -0.005829 0.005304 -0.010267 -0.011926 29O 2dz2 -0.113644 0.268736 -0.130704 -0.296999 -0.025788 -0.053828 29O 2dxz 0.168735 -0.287281 -0.014144 0.322330 -0.023438 -0.059136 29O 2dyz -0.193263 0.399572 -0.099334 -0.464230 -0.002947 0.002634 29O 2dx2y2 0.018650 -0.078793 0.083547 0.080154 0.027583 0.047988 29O 2dxy -0.110856 0.198317 0.015360 -0.230363 0.004975 0.032876 29O 1f0 -0.009141 0.026163 -0.025974 -0.030458 0.000056 -0.005840 29O 1f+1 -0.024282 0.038287 0.002146 -0.041422 -0.002565 0.001467 29O 1f-1 -0.012866 0.046724 -0.031486 -0.050044 -0.010053 -0.013055 29O 1f+2 0.012595 -0.019399 0.007294 0.020960 -0.005892 -0.002569 29O 1f-2 0.036320 -0.082847 0.010502 0.090726 0.004220 -0.001549 29O 1f+3 -0.011572 0.024286 -0.009369 -0.025304 -0.004385 -0.002637 29O 1f-3 -0.028120 0.038253 0.017241 -0.044635 0.019219 0.022049 30O 1s 0.005098 0.001319 0.001567 0.007761 -0.005331 0.006376 30O 2s 0.016154 0.004562 0.003450 0.023675 -0.014950 0.017152 30O 3s -0.070242 -0.020617 0.055154 -0.089816 0.031973 -0.005259 30O 4s -0.046781 -0.050195 -0.574426 -0.197099 0.225565 -0.507730 30O 5s -0.709185 -0.586673 0.412728 -0.742454 0.608513 -0.314261 30O 1pz 0.031714 0.024747 0.003993 0.016166 -0.068427 0.034005 30O 1px -0.028057 0.063528 -0.085794 -0.050556 -0.002724 -0.057564 30O 1py 0.020239 -0.086053 0.017927 -0.010468 0.076659 -0.033969 30O 2pz 0.047650 0.011459 0.133868 0.173585 0.015719 0.143831 30O 2px -0.088347 -0.213214 0.037056 -0.134716 0.218265 -0.180381 30O 2py -0.254556 0.140195 -0.205122 -0.216635 0.002018 -0.143956 30O 3pz -0.133866 0.283336 0.390846 0.172661 -0.246648 0.356488 30O 3px -0.170630 -0.105505 -0.128068 -0.263695 0.250740 -0.191240 30O 3py 0.029504 -0.183371 -0.340826 -0.201742 0.434365 -0.380230 30O 1dz2 -0.008834 0.000195 -0.002056 -0.006294 0.007797 -0.001279 30O 1dxz -0.012944 0.002074 0.001787 -0.009176 0.015719 -0.008343 30O 1dyz -0.000560 -0.006436 -0.008687 -0.001537 0.007820 -0.012605 30O 1dx2y2 0.001629 0.007446 0.005439 0.007745 -0.003687 0.015380 30O 1dxy 0.004329 0.007801 0.002378 0.011100 -0.008462 0.006940 30O 2dz2 0.086415 0.002215 0.006430 0.011592 -0.059858 0.031434 30O 2dxz -0.043887 0.078441 0.052469 0.064978 -0.027253 0.097152 30O 2dyz 0.026312 -0.069029 -0.008967 0.054088 0.019053 -0.001058 30O 2dx2y2 -0.010756 -0.084621 -0.008606 -0.020160 0.083514 -0.056988 30O 2dxy -0.091575 0.032876 -0.017955 -0.068392 0.101887 -0.091684 30O 1f0 -0.013066 0.005192 0.001078 -0.013444 0.021568 -0.029632 30O 1f+1 -0.034549 -0.002810 -0.032451 -0.014305 0.013473 -0.006758 30O 1f-1 -0.000121 -0.020490 -0.003580 -0.001214 0.014500 -0.014892 30O 1f+2 -0.003565 -0.038136 -0.005959 -0.008299 0.022587 -0.010783 30O 1f-2 0.004374 -0.001868 0.015121 0.011916 -0.001309 0.006127 30O 1f+3 -0.020914 -0.009374 -0.037737 -0.005379 0.009801 -0.023625 30O 1f-3 0.007099 -0.000983 0.036717 0.013236 0.016818 0.000612 31O 1s 0.004929 0.001547 0.001349 -0.008076 -0.004848 -0.007063 31O 2s 0.015607 0.005329 0.002806 -0.024522 -0.013509 -0.019127 31O 3s -0.067328 -0.026035 0.057000 0.089360 0.027294 0.008553 31O 4s -0.047619 -0.040003 -0.566022 0.226091 0.209586 0.531939 31O 5s -0.692062 -0.604231 0.433009 0.767936 0.559927 0.458753 31O 1pz -0.030531 -0.026623 -0.003046 0.020417 0.067702 0.032495 31O 1px 0.026948 -0.061240 0.084781 -0.052838 0.005098 -0.068692 31O 1py -0.019373 0.084758 -0.017815 -0.014761 -0.076777 -0.031844 31O 2pz -0.047663 -0.008320 -0.129702 0.176571 -0.027976 0.181096 31O 2px 0.087105 0.208971 -0.042856 -0.146000 -0.206460 -0.196049 31O 2py 0.247424 -0.134361 0.196578 -0.221720 0.014106 -0.180429 31O 3pz 0.130086 -0.280019 -0.387029 0.198601 0.237880 0.351819 31O 3px 0.166882 0.111582 0.120608 -0.282678 -0.235396 -0.235126 31O 3py -0.026199 0.181442 0.335618 -0.237923 -0.423002 -0.354821 31O 1dz2 -0.008402 -0.000152 -0.001837 0.006891 0.007268 0.001342 31O 1dxz -0.012824 0.002010 0.002120 0.010165 0.015068 0.009338 31O 1dyz -0.000596 -0.006257 -0.008649 0.002012 0.007659 0.010616 31O 1dx2y2 0.001607 0.007252 0.005283 -0.008185 -0.003230 -0.018313 31O 1dxy 0.004187 0.007766 0.001945 -0.011574 -0.007620 -0.008373 31O 2dz2 0.084739 0.002608 0.005009 -0.014860 -0.059267 -0.030721 31O 2dxz -0.042918 0.075782 0.051216 -0.068215 -0.022858 -0.116880 31O 2dyz 0.025513 -0.066335 -0.010885 -0.053013 0.022606 -0.014861 31O 2dx2y2 -0.010509 -0.083749 -0.008266 0.026249 0.081878 0.058416 31O 2dxy -0.089682 0.032413 -0.014723 0.074507 0.096365 0.101128 31O 1f0 0.013075 -0.004909 -0.001584 -0.014652 -0.020611 -0.031715 31O 1f+1 0.033426 0.003605 0.031851 -0.016221 -0.012745 -0.007091 31O 1f-1 -0.000092 0.020225 0.003322 -0.002119 -0.014240 -0.015961 31O 1f+2 0.003338 0.037585 0.005744 -0.010123 -0.022107 -0.013451 31O 1f-2 -0.004053 0.001572 -0.014950 0.012363 0.000576 0.008006 31O 1f+3 0.020273 0.009897 0.037536 -0.007156 -0.009711 -0.023520 31O 1f-3 -0.006635 0.000299 -0.036495 0.013401 -0.017272 0.003614 32O 1s 0.004107 -0.002463 -0.014365 -0.001271 0.000044 -0.000204 32O 2s 0.016053 -0.009321 -0.054678 -0.005395 -0.000768 0.001898 32O 3s -0.166315 0.091105 0.538793 0.064711 0.027598 -0.073438 32O 4s 0.389992 -0.218898 -1.275845 -0.154922 -0.025511 0.209531 32O 5s -0.287473 0.242316 1.296623 0.014750 -0.430482 0.262406 32O 1pz 0.090503 -0.224252 0.052817 -0.244490 0.014352 -0.005716 32O 1px 0.048514 -0.091518 -0.017227 -0.099967 0.017183 0.038060 32O 1py -0.036606 0.016567 0.057735 0.027649 0.046009 -0.071602 32O 2pz -0.465260 1.025152 -0.224026 1.140388 -0.082536 0.018245 32O 2px -0.225883 0.398278 0.019008 0.457367 -0.018692 -0.156736 32O 2py 0.140521 -0.090087 -0.216010 -0.131838 -0.134524 0.239604 32O 3pz 0.033868 -0.126403 -0.109272 -0.078813 0.020192 0.005779 32O 3px -0.094516 0.026214 0.397085 -0.000700 -0.042404 0.015086 32O 3py -0.043964 0.034374 0.209197 -0.003087 -0.028526 0.060838 32O 1dz2 -0.003764 0.001435 0.002072 0.000133 0.000745 -0.001769 32O 1dxz 0.007220 -0.006286 -0.006664 -0.003767 -0.000986 0.001417 32O 1dyz 0.007901 -0.017835 0.003607 -0.014564 0.004604 -0.004307 32O 1dx2y2 -0.004017 -0.001046 0.022404 0.001299 0.006293 -0.008280 32O 1dxy 0.007875 -0.004430 -0.005759 -0.005587 -0.009883 0.013875 32O 2dz2 -0.105323 0.249498 -0.117453 0.275827 -0.039528 0.042021 32O 2dxz 0.174027 -0.297728 -0.022346 -0.334659 -0.005939 0.063771 32O 2dyz -0.196759 0.406548 -0.087834 0.472713 -0.027924 -0.017319 32O 2dx2y2 0.025099 -0.089820 0.082301 -0.092840 0.031912 -0.041215 32O 2dxy -0.106773 0.189484 0.023319 0.220414 -0.006802 -0.030115 32O 1f0 0.008647 -0.023969 0.023085 -0.028661 0.000944 -0.001669 32O 1f+1 0.025536 -0.040474 -0.003845 -0.043586 0.004909 0.001299 32O 1f-1 0.012942 -0.046974 0.030883 -0.050680 0.012727 -0.010657 32O 1f+2 -0.011827 0.018971 -0.008068 0.020880 0.004087 -0.003497 32O 1f-2 -0.036622 0.083159 -0.008353 0.090708 -0.008763 -0.001943 32O 1f+3 0.010246 -0.021324 0.008671 -0.021896 0.005823 -0.002006 32O 1f-3 0.028066 -0.038643 -0.018074 -0.045341 -0.016861 0.024374 33O 1s -0.004855 -0.002363 -0.000538 -0.004354 -0.006248 0.004951 33O 2s -0.015040 -0.008496 -0.001904 -0.009638 -0.017637 0.012736 33O 3s 0.065577 0.034636 0.026557 -0.054156 0.012993 0.017434 33O 4s 0.078235 0.101916 -0.232211 0.592247 0.452633 -0.471174 33O 5s 0.610941 0.551369 0.385156 0.187244 0.564882 -0.505490 33O 1pz 0.080421 -0.016211 -0.069952 0.021214 0.000300 -0.037280 33O 1px 0.017219 -0.038367 -0.009635 -0.039615 -0.107383 0.044969 33O 1py 0.066753 -0.045411 -0.023763 0.000922 -0.017230 0.017782 33O 2pz -0.045807 0.230903 0.189612 0.193016 0.358508 -0.151369 33O 2px -0.182823 -0.059499 0.033430 -0.229525 -0.114040 0.220791 33O 2py -0.136711 0.185858 0.046434 0.034767 0.099341 -0.075465 33O 3pz 0.251114 -0.115173 -0.366311 0.301054 0.343323 -0.408873 33O 3px -0.160564 -0.186199 0.132151 -0.208002 -0.332317 0.266769 33O 3py 0.099283 -0.025000 -0.359077 0.146569 -0.060264 -0.117185 33O 1dz2 -0.003667 0.008435 0.000595 0.001996 0.005365 -0.002043 33O 1dxz 0.011821 0.005559 -0.005299 0.012166 0.007237 -0.010113 33O 1dyz -0.008353 0.007975 0.011445 -0.011482 0.007318 0.003576 33O 1dx2y2 -0.012444 0.003736 -0.005884 -0.013003 -0.022066 0.012594 33O 1dxy -0.004744 -0.001336 0.006035 -0.006262 -0.000318 0.006598 33O 2dz2 -0.074905 0.022799 0.093900 -0.036407 0.036913 0.034743 33O 2dxz -0.006515 -0.013272 -0.074963 -0.104285 -0.155498 0.101261 33O 2dyz -0.090349 0.067796 0.045131 -0.052237 -0.014480 0.015947 33O 2dx2y2 0.073706 0.041567 -0.055437 0.103174 0.050022 -0.087015 33O 2dxy 0.062122 -0.059689 0.037866 -0.019487 0.038751 0.030712 33O 1f0 0.004063 -0.021236 0.008787 -0.000469 -0.003761 -0.001727 33O 1f+1 -0.026960 -0.024460 0.019839 -0.028417 -0.035020 0.017351 33O 1f-1 0.012683 0.004642 0.000732 0.014162 0.012997 -0.012979 33O 1f+2 -0.011278 0.011241 0.002515 -0.004472 0.013699 -0.016324 33O 1f-2 -0.013202 0.011833 0.005034 -0.012099 -0.004766 0.008049 33O 1f+3 -0.019415 -0.010291 0.021655 -0.006047 0.008209 -0.000082 33O 1f-3 -0.025217 -0.019441 0.004319 -0.012494 -0.040300 0.007263 34O 1s 0.001698 0.000824 -0.000783 -0.002769 -0.003275 -0.007938 34O 2s 0.004032 0.002656 -0.003779 -0.004489 -0.006463 -0.020499 34O 3s 0.025360 0.022937 0.059888 -0.086319 -0.095589 -0.020156 34O 4s -0.281147 -0.261254 -0.347386 0.639201 0.769936 0.767519 34O 5s -0.691847 -0.400476 0.252379 0.361252 0.565365 0.833231 34O 1pz -0.018552 -0.007762 -0.069707 0.009823 -0.029688 0.031979 34O 1px 0.036910 -0.029735 -0.009966 -0.002831 0.042741 0.058608 34O 1py 0.050671 -0.048270 0.071199 -0.027064 0.021014 -0.015493 34O 2pz 0.039473 0.029966 0.193592 -0.048113 0.071304 -0.103358 34O 2px -0.343009 -0.161546 -0.007617 0.402844 0.469418 0.511967 34O 2py -0.068334 0.244921 -0.151416 -0.014795 -0.209786 -0.138443 34O 3pz -0.053722 0.120594 -0.123693 0.030214 0.053481 0.117063 34O 3px -0.129701 -0.246152 -0.329909 0.280644 0.530407 0.614450 34O 3py -0.115708 0.066104 0.440504 -0.154532 -0.098174 -0.327794 34O 1dz2 0.003625 -0.005316 -0.011701 0.009373 -0.002629 0.009229 34O 1dxz -0.002683 -0.004606 0.001487 0.001790 0.004540 -0.000868 34O 1dyz -0.003814 0.008374 -0.011769 0.007270 -0.002154 0.007684 34O 1dx2y2 0.010978 0.000448 -0.001910 -0.008614 -0.015904 -0.020457 34O 1dxy -0.005677 0.004848 -0.012609 0.010612 0.004284 0.015695 34O 2dz2 0.075088 0.012387 -0.049435 -0.063081 -0.131692 -0.092095 34O 2dxz -0.007092 0.106326 0.121004 -0.028933 0.025102 -0.058222 34O 2dyz -0.035177 -0.018576 -0.081592 0.056689 0.026013 0.066976 34O 2dx2y2 -0.108887 -0.029810 -0.022628 0.152314 0.169069 0.172645 34O 2dxy -0.069151 0.105210 -0.059210 -0.012950 -0.084460 -0.110416 34O 1f0 0.017231 0.033991 0.019141 -0.012624 -0.022471 -0.008458 34O 1f+1 -0.013152 0.020627 0.005048 -0.004307 -0.012048 -0.035157 34O 1f-1 -0.002035 0.001805 -0.001714 0.009677 -0.000910 -0.009303 34O 1f+2 0.001959 -0.011954 -0.017286 0.000097 -0.006173 -0.002629 34O 1f-2 0.019451 -0.013380 0.013178 -0.020554 -0.002586 -0.020559 34O 1f+3 -0.015042 0.003718 -0.022335 0.012401 -0.005335 0.011156 34O 1f-3 -0.025292 -0.014195 -0.011666 0.012561 0.028952 0.007843 35O 1s -0.001536 0.000626 -0.002525 -0.008062 -0.004741 0.004290 35O 2s -0.002343 0.001047 -0.009332 -0.022826 -0.011393 0.009149 35O 3s -0.085910 0.009893 0.102720 0.038483 -0.035103 0.083477 35O 4s 0.617526 -0.089110 -0.415244 0.488784 0.555558 -0.782759 35O 5s 0.443289 0.541828 0.701220 0.984047 0.788071 -0.558037 35O 1pz -0.032088 0.070873 0.039061 0.010804 0.098217 -0.029853 35O 1px -0.006362 -0.046687 -0.017447 0.021220 0.019398 -0.023715 35O 1py -0.008029 0.052756 -0.020783 0.034433 0.042759 -0.023851 35O 2pz 0.170533 -0.146781 -0.128862 0.088676 -0.170878 -0.021048 35O 2px 0.394539 0.113359 0.003961 0.466008 0.369603 -0.454803 35O 2py 0.195873 -0.144321 0.054508 0.163172 0.112790 -0.198225 35O 3pz -0.011825 0.068868 -0.421921 0.125301 0.171746 -0.258609 35O 3px 0.274800 0.103004 -0.320722 0.489069 0.471590 -0.460923 35O 3py 0.115805 -0.027476 -0.213703 0.272375 0.414438 -0.294368 35O 1dz2 0.005893 -0.002912 0.012162 0.011187 0.015154 -0.008251 35O 1dxz -0.003657 0.001886 0.003395 -0.004790 -0.011348 0.012705 35O 1dyz -0.002847 0.005140 0.001380 -0.001967 -0.012754 0.005808 35O 1dx2y2 -0.005663 -0.005080 0.001791 -0.009707 -0.006926 0.013835 35O 1dxy -0.003464 -0.002447 0.002597 -0.010036 -0.012634 0.016102 35O 2dz2 -0.081949 -0.025285 0.034019 -0.105463 -0.100735 0.128319 35O 2dxz 0.042342 -0.031757 -0.051787 0.065622 -0.024262 -0.039388 35O 2dyz -0.018828 -0.030616 -0.002534 -0.003035 -0.076294 0.019161 35O 2dx2y2 0.119188 0.082715 -0.063282 0.137564 0.078875 -0.089040 35O 2dxy 0.077630 -0.098587 0.077614 0.101079 0.139726 -0.129767 35O 1f0 -0.019044 -0.003314 0.005263 -0.008731 -0.009647 -0.005618 35O 1f+1 -0.013501 0.026572 0.003271 0.002212 0.011169 -0.000774 35O 1f-1 0.010971 0.018154 -0.001432 0.016647 0.020587 -0.012325 35O 1f+2 0.019556 -0.005166 -0.020401 -0.003916 -0.017769 0.014790 35O 1f-2 0.013654 0.017487 0.007490 0.013653 0.039367 -0.019578 35O 1f+3 0.026340 0.023063 -0.021835 0.011378 0.004885 0.002991 35O 1f-3 -0.012798 -0.004950 0.016934 -0.021811 -0.002727 0.015206 570 571 572 573 574 575 3.90219 3.92213 3.92453 3.93217 3.93808 3.94631 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s 0.018523 -0.002229 0.000720 0.000585 -0.000954 0.004267 0Rh 2s -0.162967 0.020087 -0.006911 -0.005460 0.007130 -0.035986 0Rh 3s 0.012424 -0.001210 0.000139 0.000207 -0.001402 0.003813 0Rh 4s 0.902757 -0.111347 0.038270 0.030243 -0.039724 0.199979 0Rh 5s -2.037545 0.253592 -0.088648 -0.069474 0.085637 -0.447567 0Rh 6s 1.864941 -0.240873 0.090256 0.068054 -0.059862 0.386884 0Rh 7s -1.911690 0.330344 -0.145897 -0.110413 -0.109082 -0.153175 0Rh 8s 0.246472 -0.057750 -0.012340 -0.142348 0.075082 -0.078249 0Rh 1pz -0.001024 0.001037 0.002318 0.000028 0.000011 -0.003043 0Rh 1px 0.005097 0.000448 0.002054 -0.000950 -0.001662 0.002729 0Rh 1py 0.000547 -0.000441 -0.001491 0.003912 -0.001505 -0.000059 0Rh 2pz 0.003707 -0.004027 -0.008931 -0.000164 0.000027 0.011743 0Rh 2px -0.019376 -0.001713 -0.008047 0.003440 0.006278 -0.010327 0Rh 2py -0.002478 0.001673 0.005640 -0.014974 0.005875 0.000418 0Rh 3pz -0.002608 0.008667 0.017556 0.001730 -0.001535 -0.022760 0Rh 3px 0.033793 0.002865 0.018695 -0.002239 -0.009693 0.016645 0Rh 3py 0.013444 -0.002792 -0.008799 0.028017 -0.013145 -0.005015 0Rh 4pz -0.019213 -0.001837 0.003565 -0.007460 0.006237 -0.011889 0Rh 4px 0.017654 0.004488 -0.009703 -0.019595 -0.014450 0.017285 0Rh 4py -0.042593 -0.002362 -0.012580 0.008116 0.004511 0.019204 0Rh 5pz 0.032927 -0.010352 -0.040336 0.021822 -0.010350 0.103620 0Rh 5px -0.055789 -0.026261 -0.010595 0.038226 0.055475 -0.056400 0Rh 5py 0.105153 0.009866 0.047270 -0.056493 0.014182 -0.042739 0Rh 6pz 0.320208 -0.003629 -0.069068 -0.197355 -0.024197 -0.681973 0Rh 6px -0.534472 0.198128 0.008531 0.225436 -0.151706 -0.116002 0Rh 6py -0.133322 -0.112385 -0.049192 -0.043449 -0.059872 0.158484 0Rh 1dz2 -0.011474 0.041275 -0.001460 -0.011637 0.003002 0.016307 0Rh 1dxz -0.037833 0.026302 0.007450 0.010442 -0.004050 -0.075006 0Rh 1dyz 0.031889 -0.003902 0.017243 -0.019442 -0.008869 -0.068487 0Rh 1dx2y2 0.057855 0.028552 0.011665 -0.004434 -0.007218 -0.027049 0Rh 1dxy -0.075786 0.009942 0.006162 0.066643 -0.005748 -0.005664 0Rh 2dz2 -0.001736 0.006242 -0.000146 -0.001571 0.000577 0.002209 0Rh 2dxz -0.006209 0.003935 0.000924 0.001280 -0.000223 -0.010422 0Rh 2dyz 0.004750 -0.001236 0.002927 -0.003112 -0.001022 -0.009188 0Rh 2dx2y2 0.009444 0.004371 0.001331 -0.000199 -0.001255 -0.003200 0Rh 2dxy -0.010939 0.001074 0.001045 0.008921 -0.000682 -0.000069 0Rh 3dz2 0.049892 -0.182371 0.006006 0.050694 -0.013840 -0.071323 0Rh 3dxz 0.168287 -0.116068 -0.032052 -0.044854 0.016206 0.328684 0Rh 3dyz -0.140371 0.020216 -0.077638 0.086781 0.037837 0.298467 0Rh 3dx2y2 -0.256749 -0.126566 -0.049479 0.017346 0.032680 0.116221 0Rh 3dxy 0.332191 -0.042088 -0.027793 -0.289722 0.024607 0.021606 0Rh 4dz2 -0.062639 0.252895 -0.007029 -0.070888 0.020087 0.100358 0Rh 4dxz -0.229556 0.160409 0.043372 0.059735 -0.020163 -0.456126 0Rh 4dyz 0.195473 -0.031430 0.109469 -0.121756 -0.051186 -0.413047 0Rh 4dx2y2 0.348931 0.177432 0.064631 -0.018354 -0.046864 -0.160703 0Rh 4dxy -0.461517 0.056636 0.040062 0.395758 -0.033125 -0.025926 0Rh 5dz2 -0.022386 -0.201295 0.007386 0.079573 -0.013204 -0.089851 0Rh 5dxz 0.107927 -0.116763 -0.036756 -0.037869 0.013596 0.368121 0Rh 5dyz -0.181776 0.003940 -0.070156 0.106859 0.050766 0.383419 0Rh 5dx2y2 -0.168513 -0.159681 -0.032253 -0.022095 0.040942 0.169815 0Rh 5dxy 0.430553 -0.056644 -0.037873 -0.317933 0.027453 0.036810 0Rh 1f0 -0.024046 0.000691 0.009134 -0.003796 0.001471 0.004814 0Rh 1f+1 0.022816 -0.002148 0.005521 -0.011040 0.000195 0.019132 0Rh 1f-1 0.010888 0.002373 -0.002068 -0.001703 -0.001669 -0.005136 0Rh 1f+2 0.022230 -0.001668 0.002805 -0.005314 -0.002923 0.007299 0Rh 1f-2 0.022349 -0.004430 -0.001358 -0.008720 -0.001780 -0.004417 0Rh 1f+3 0.026090 -0.007905 0.000668 -0.004901 -0.001999 0.011338 0Rh 1f-3 0.039397 -0.001589 -0.007325 -0.004173 -0.002139 0.003691 1Rh 1s 0.018680 -0.002281 -0.000242 -0.000794 -0.000966 0.004171 1Rh 2s -0.164428 0.020620 0.002540 0.007255 0.007261 -0.035054 1Rh 3s 0.012482 -0.001205 0.000087 -0.000375 -0.001394 0.003804 1Rh 4s 0.910831 -0.114294 -0.014046 -0.040205 -0.040453 0.194809 1Rh 5s -2.056007 0.260502 0.033271 0.091867 0.087405 -0.435515 1Rh 6s 1.882917 -0.248253 -0.036794 -0.087960 -0.062005 0.374399 1Rh 7s -1.935743 0.343105 0.064448 0.124911 -0.105158 -0.132686 1Rh 8s 0.221162 -0.059195 0.028945 0.143812 0.068263 -0.083107 1Rh 1pz 0.000528 -0.000691 0.002404 -0.000034 0.000150 0.003358 1Rh 1px -0.005092 -0.000125 0.002174 -0.000863 0.001824 -0.002448 1Rh 1py -0.001686 0.000149 -0.001510 0.003939 0.001388 0.000189 1Rh 2pz -0.001799 0.002692 -0.009271 0.000069 -0.000653 -0.012964 1Rh 2px 0.019394 0.000451 -0.008500 0.003111 -0.006914 0.009219 1Rh 2py 0.006829 -0.000561 0.005723 -0.015082 -0.005427 -0.000932 1Rh 3pz -0.001119 -0.005985 0.018421 0.001388 0.002861 0.025320 1Rh 3px -0.034597 0.000000 0.019403 -0.001696 0.011137 -0.013957 1Rh 3py -0.021426 0.000876 -0.009174 0.028292 0.012323 0.006309 1Rh 4pz 0.018698 0.002044 0.002709 -0.008130 -0.006454 0.011509 1Rh 4px -0.014425 -0.005750 -0.008401 -0.019099 0.013750 -0.019174 1Rh 4py 0.039380 0.000838 -0.011439 0.007861 -0.004812 -0.020294 1Rh 5pz -0.026202 0.005218 -0.038947 0.024461 0.008529 -0.106840 1Rh 5px 0.050757 0.024234 -0.017106 0.036612 -0.055891 0.056319 1Rh 5py -0.086272 -0.003032 0.044125 -0.056384 -0.012462 0.043107 1Rh 6pz -0.307637 -0.005282 -0.088134 -0.210400 0.022710 0.670260 1Rh 6px 0.508125 -0.197957 0.049637 0.219677 0.140537 0.113007 1Rh 6py 0.161357 0.106358 -0.049071 -0.038413 0.063306 -0.161070 1Rh 1dz2 -0.012275 0.041619 -0.003511 0.011019 0.003365 0.016937 1Rh 1dxz -0.033953 0.024400 -0.010095 -0.008888 -0.005249 -0.077658 1Rh 1dyz 0.026124 -0.006834 -0.014635 0.019614 -0.011180 -0.069901 1Rh 1dx2y2 0.056467 0.026243 -0.013210 0.004362 -0.008637 -0.028851 1Rh 1dxy -0.060211 0.010195 -0.009325 -0.066720 -0.004210 -0.006648 1Rh 2dz2 -0.001870 0.006262 -0.000608 0.001486 0.000596 0.002246 1Rh 2dxz -0.005737 0.003676 -0.001303 -0.001039 -0.000390 -0.010780 1Rh 2dyz 0.003836 -0.001706 -0.002485 0.003150 -0.001379 -0.009407 1Rh 2dx2y2 0.009305 0.004083 -0.001585 0.000170 -0.001441 -0.003433 1Rh 2dxy -0.008862 0.001075 -0.001472 -0.008915 -0.000498 -0.000203 1Rh 3dz2 0.053459 -0.183727 0.015971 -0.047985 -0.015280 -0.073834 1Rh 3dxz 0.151710 -0.107789 0.043640 0.037948 0.021454 0.340254 1Rh 3dyz -0.114788 0.033283 0.065882 -0.087592 0.048112 0.304776 1Rh 3dx2y2 -0.250972 -0.116658 0.056431 -0.016961 0.038829 0.124019 1Rh 3dxy 0.264861 -0.043025 0.041569 0.289979 0.018014 0.025907 1Rh 4dz2 -0.067661 0.254458 -0.023401 0.067062 0.021780 0.103302 1Rh 4dxz -0.207775 0.149082 -0.059156 -0.050058 -0.027422 -0.472094 1Rh 4dyz 0.159918 -0.049634 -0.092766 0.122932 -0.065655 -0.422141 1Rh 4dx2y2 0.341741 0.164283 -0.074667 0.017808 -0.055168 -0.171231 1Rh 4dxy -0.371052 0.057566 -0.059125 -0.395934 -0.024292 -0.031917 1Rh 5dz2 -0.016631 -0.202753 0.015430 -0.075307 -0.014023 -0.090966 1Rh 5dxz 0.095313 -0.107291 0.046385 0.030180 0.020200 0.382187 1Rh 5dyz -0.151524 0.015678 0.056792 -0.107376 0.062422 0.391750 1Rh 5dx2y2 -0.166470 -0.151899 0.043358 0.021405 0.046481 0.176609 1Rh 5dxy 0.363772 -0.056492 0.055177 0.317439 0.020524 0.041814 1Rh 1f0 0.024281 0.000492 0.009655 -0.003804 -0.001249 -0.004343 1Rh 1f+1 -0.022602 0.002965 0.005252 -0.010445 0.000026 -0.019221 1Rh 1f-1 -0.009330 -0.002578 -0.001995 -0.001639 0.001581 0.004879 1Rh 1f+2 -0.020983 0.002061 0.002356 -0.005072 0.003081 -0.007129 1Rh 1f-2 -0.019496 0.004406 -0.002249 -0.008637 0.001933 0.003666 1Rh 1f+3 -0.025223 0.007940 -0.000273 -0.004488 0.001908 -0.011739 1Rh 1f-3 -0.040799 0.000559 -0.008236 -0.003712 0.002193 -0.003424 2C 1s -0.002261 -0.001308 -0.002257 0.000309 -0.000614 0.002485 2C 2s -0.005767 -0.004111 -0.006526 -0.000225 -0.001576 0.007990 2C 3s 0.086477 0.058240 0.071849 0.093564 -0.022535 -0.098034 2C 4s -0.429090 -0.204301 -0.195854 -0.630323 0.282735 0.201473 2C 5s -0.175886 -0.129079 0.042074 0.747864 -0.107210 0.635770 2C 1pz 0.057491 0.054101 0.077222 0.000708 0.042233 -0.046815 2C 1px -0.004797 0.026779 0.037106 0.005791 0.018895 -0.028601 2C 1py 0.031574 -0.021754 -0.022214 0.008856 -0.036106 -0.038563 2C 2pz -0.348817 -0.829613 -1.033899 -0.257575 -0.612883 0.094458 2C 2px -0.065963 -0.664402 -0.823854 -0.252295 -0.211692 0.770629 2C 2py 0.188561 1.000053 1.243574 -0.384179 1.220456 0.194288 2C 3pz -0.088874 0.071966 0.149647 0.172966 0.102209 0.154425 2C 3px -0.061079 0.098881 0.140422 0.080339 0.040999 -0.050573 2C 3py -0.131699 -0.181756 -0.235977 0.094912 -0.197951 0.100711 2C 1dz2 0.078771 0.012633 0.012557 -0.026502 0.005871 -0.019764 2C 1dxz 0.088080 0.195421 0.240497 -0.004575 0.130970 -0.094912 2C 1dyz 0.075361 -0.023290 -0.006708 -0.037288 0.035302 0.076666 2C 1dx2y2 0.006631 0.023000 0.020896 -0.026917 0.069495 0.105630 2C 1dxy -0.054437 -0.207956 -0.255449 0.022193 -0.211554 -0.001548 2C 2dz2 -0.155289 -0.309670 -0.383500 -0.000946 -0.269998 0.057771 2C 2dxz -0.013867 0.021611 0.018355 -0.011590 0.064401 0.063930 2C 2dyz -0.063224 0.032040 0.009340 -0.166300 0.154971 0.224093 2C 2dx2y2 0.010967 -0.151242 -0.174335 -0.014324 -0.080055 0.111568 2C 2dxy -0.066708 -0.319481 -0.406504 -0.017863 -0.261547 0.094724 2C 1f0 -0.059259 -0.244229 -0.298932 0.041338 -0.255959 -0.030678 2C 1f+1 0.073414 -0.347386 -0.427257 0.006724 -0.303861 0.180674 2C 1f-1 -0.085505 -0.071407 -0.104553 0.033873 -0.114784 -0.067053 2C 1f+2 -0.032004 -0.261836 -0.335329 0.044642 -0.270800 -0.049341 2C 1f-2 0.071559 0.012226 0.025548 -0.045176 0.082963 0.161180 2C 1f+3 0.019810 0.103929 0.125728 -0.031096 0.153084 0.167360 2C 1f-3 0.019082 0.071471 0.084858 -0.014585 0.083126 0.086873 3C 1s -0.003506 0.002690 -0.001435 -0.003411 -0.001901 0.001673 3C 2s -0.008859 0.007853 -0.004895 -0.008782 -0.005741 0.004176 3C 3s 0.101721 -0.067670 0.109779 -0.047650 0.046601 0.074291 3C 4s -0.517121 0.082300 -0.498961 0.864564 0.031233 -0.842465 3C 5s -0.206764 0.341982 -0.278152 -0.641392 -0.250657 -0.094771 3C 1pz 0.037971 0.006862 0.025223 -0.025861 -0.017024 0.005687 3C 1px 0.044448 -0.013937 0.014248 0.007616 0.007884 -0.025532 3C 1py -0.055241 0.081391 -0.049179 -0.087736 -0.072938 0.021375 3C 2pz 0.176229 -1.039036 0.114009 1.487483 1.042095 -0.365956 3C 2px -0.669546 -0.082898 -0.235821 0.552964 0.199214 0.244628 3C 2py 0.329687 -0.866028 0.441626 0.582159 0.808399 0.368644 3C 3pz -0.104252 0.214707 -0.130538 -0.294208 -0.209452 0.007850 3C 3px 0.004002 0.037188 -0.008474 -0.127503 -0.064701 -0.087841 3C 3py 0.128219 0.016386 0.092617 -0.068938 -0.063988 0.064360 3C 1dz2 -0.035953 -0.104453 0.012131 0.165025 0.114904 -0.007294 3C 1dxz 0.128441 0.044837 0.030607 -0.086847 -0.063692 -0.078028 3C 1dyz 0.057927 -0.119707 0.035903 0.089286 0.110439 -0.001854 3C 1dx2y2 -0.113969 0.178749 -0.079056 -0.179139 -0.152504 0.005878 3C 1dxy -0.096417 0.128636 -0.046131 -0.153543 -0.116563 -0.003710 3C 2dz2 0.154676 -0.434439 0.112868 0.455270 0.414031 -0.034944 3C 2dxz -0.019615 -0.004623 -0.007169 -0.012948 -0.005646 -0.060152 3C 2dyz 0.125173 -0.128932 0.149818 0.031777 0.105673 -0.007669 3C 2dx2y2 0.027376 -0.093230 0.092781 0.025984 0.071590 0.073456 3C 2dxy 0.251562 0.016617 0.082509 -0.142749 -0.048429 -0.060096 3C 1f0 0.100769 0.035677 0.036411 -0.090776 -0.052507 -0.027309 3C 1f+1 -0.029153 -0.127913 -0.001917 0.184516 0.129816 0.026368 3C 1f-1 -0.029106 0.255514 -0.033749 -0.319377 -0.246229 0.098857 3C 1f+2 -0.143420 0.014151 -0.001963 -0.005882 0.001379 0.149486 3C 1f-2 0.143544 0.133386 0.016733 -0.223594 -0.148912 -0.105965 3C 1f+3 -0.032175 0.253717 -0.045164 -0.369218 -0.255288 0.152372 3C 1f-3 -0.117651 -0.261336 0.037197 0.394722 0.271117 -0.035844 4C 1s 0.007798 -0.002831 -0.003987 0.000111 -0.004770 0.004797 4C 2s 0.013753 -0.007126 -0.010889 0.000499 -0.012126 0.011524 4C 3s 0.234286 0.036384 0.103925 -0.011696 0.036820 0.028381 4C 4s -1.386545 0.114658 -0.024458 -0.067693 0.272279 -0.620570 4C 5s 0.060551 -0.233507 -0.245585 -0.526965 0.037072 0.002873 4C 1pz -0.016907 -0.046385 -0.058479 0.075709 -0.084871 0.045318 4C 1px 0.005836 -0.037535 -0.054924 0.008118 -0.023647 0.023405 4C 1py 0.016945 0.063882 0.081199 0.037412 0.048421 0.028745 4C 2pz -0.475522 0.068555 0.030842 -0.611369 0.520694 0.117591 4C 2px -0.432460 0.161414 0.225200 -0.142723 0.211550 -0.209374 4C 2py -0.591813 -0.561699 -0.746381 -0.328707 -0.270142 0.024283 4C 3pz -0.405911 -0.138029 0.039713 0.411981 0.041890 0.531314 4C 3px 0.029837 -0.050036 0.014439 0.104538 -0.024982 0.051534 4C 3py -0.226679 -0.110795 0.112693 0.340245 0.038349 0.332218 4C 1dz2 -0.012263 -0.054397 -0.061620 -0.002958 -0.055217 -0.073401 4C 1dxz 0.130611 -0.047278 -0.034858 -0.020952 -0.020753 0.057790 4C 1dyz -0.083016 0.063329 0.074329 -0.051009 0.094373 -0.061452 4C 1dx2y2 -0.140291 -0.043174 -0.063371 0.000488 -0.022241 -0.003080 4C 1dxy -0.054475 0.000687 -0.005248 -0.026874 0.032007 0.006079 4C 2dz2 0.097671 -0.260868 -0.323353 0.219512 -0.448115 -0.010879 4C 2dxz 0.055471 -0.162644 -0.229089 0.106037 -0.212652 0.065943 4C 2dyz 0.120043 0.266277 0.313070 0.209178 0.096717 -0.093209 4C 2dx2y2 -0.254096 -0.325693 -0.417959 -0.107421 -0.165715 -0.037008 4C 2dxy -0.234080 -0.059926 -0.079975 -0.018891 0.047426 0.139587 4C 1f0 0.100378 0.324570 0.421701 -0.059230 0.355069 0.159885 4C 1f+1 0.207388 0.209465 0.257052 0.073318 0.076558 -0.154338 4C 1f-1 0.103766 0.015486 0.029634 -0.039717 0.046836 0.011642 4C 1f+2 -0.060714 0.233923 0.274337 -0.031470 0.250534 -0.072759 4C 1f-2 -0.063357 0.076547 0.109031 0.014819 0.030724 -0.143107 4C 1f+3 -0.042292 0.001336 -0.014950 0.025337 -0.012578 -0.031130 4C 1f-3 0.171385 -0.112565 -0.110941 0.040858 -0.157838 0.061032 5C 1s 0.007037 0.004158 0.003139 -0.013165 -0.005692 0.011461 5C 2s 0.011518 0.012299 0.006648 -0.034101 -0.014853 0.028255 5C 3s 0.295153 -0.128873 0.063083 0.161614 0.062698 -0.090939 5C 4s -1.547071 0.070246 -0.285526 0.446009 0.297670 -0.556381 5C 5s -0.203837 0.195926 0.079467 0.118301 -0.085683 -0.037940 5C 1pz 0.024560 -0.040662 -0.000529 0.010864 0.042174 0.039766 5C 1px -0.026780 0.001234 0.011672 -0.015878 -0.002603 0.031586 5C 1py -0.013211 -0.086365 0.026536 0.176171 0.091858 -0.080022 5C 2pz -0.641670 0.485852 -0.304604 -0.073290 -0.389126 -0.289230 5C 2px -0.035779 0.168706 -0.374088 0.198874 -0.097165 -0.518792 5C 2py 0.895444 0.138697 0.399537 -1.091700 -0.322671 0.656585 5C 3pz -0.257672 0.179390 -0.112066 -0.099667 -0.074943 -0.262967 5C 3px -0.233050 0.194235 -0.137662 -0.053594 -0.035012 -0.203337 5C 3py 0.452252 -0.305303 0.220528 0.298482 0.146324 0.416592 5C 1dz2 0.103002 -0.058199 0.034529 0.018151 0.027239 0.036449 5C 1dxz 0.027943 -0.044845 0.029794 0.038314 0.034063 0.037657 5C 1dyz 0.100957 0.074826 0.024076 -0.203872 -0.094531 0.160993 5C 1dx2y2 -0.158346 -0.013422 -0.039199 0.060516 0.030100 0.006493 5C 1dxy 0.052830 0.025095 -0.000239 -0.067996 -0.033647 0.000964 5C 2dz2 0.278312 -0.369479 0.170110 0.352251 0.332900 0.048976 5C 2dxz 0.146501 -0.186751 0.132572 0.050179 0.132712 0.151033 5C 2dyz -0.086658 0.185282 -0.118154 0.003019 -0.180516 -0.163794 5C 2dx2y2 -0.413237 -0.173548 -0.228703 0.682354 0.276788 -0.366671 5C 2dxy -0.093052 -0.033229 -0.056272 0.226214 0.067331 -0.275939 5C 1f0 0.144764 0.056840 0.021668 -0.174699 -0.071528 0.101753 5C 1f+1 0.058755 0.118811 0.058538 -0.247145 -0.139537 0.116481 5C 1f-1 -0.005177 -0.332033 0.044640 0.442692 0.333274 -0.112821 5C 1f+2 0.019713 -0.003893 0.036310 -0.041483 -0.009634 -0.058726 5C 1f-2 -0.216556 -0.087556 -0.037527 0.203951 0.131628 0.024279 5C 1f+3 0.282139 -0.124804 0.146137 0.004568 0.068723 0.013076 5C 1f-3 -0.104578 0.211578 -0.090936 -0.188917 -0.182438 -0.164737 6C 1s 0.005643 0.003529 -0.003831 0.012718 -0.005851 0.011401 6C 2s 0.007918 0.010850 -0.008714 0.032976 -0.015232 0.028130 6C 3s 0.305118 -0.134103 -0.041176 -0.157905 0.062288 -0.092181 6C 4s -1.477979 0.117530 0.274864 -0.421780 0.312154 -0.548149 6C 5s -0.107665 0.199179 -0.094814 -0.126645 -0.057964 -0.024576 6C 1pz -0.003062 0.042829 -0.003822 0.011868 -0.041090 -0.038802 6C 1px 0.033449 0.001552 0.012994 -0.014416 0.004754 -0.028827 6C 1py -0.004061 0.086497 0.012961 0.172795 -0.095908 0.079132 6C 2pz 0.475468 -0.539015 -0.246910 -0.073117 0.371195 0.272890 6C 2px -0.058815 -0.231336 -0.368578 0.196933 0.066648 0.493164 6C 2py -0.728778 -0.064759 0.423515 -1.082667 0.370171 -0.631543 6C 3pz 0.292599 -0.184405 -0.094088 -0.099567 0.086212 0.268499 6C 3px 0.245553 -0.208016 -0.116082 -0.055762 0.035669 0.199990 6C 3py -0.499632 0.318766 0.188090 0.298834 -0.164992 -0.424750 6C 1dz2 0.090706 -0.064226 -0.027458 -0.019348 0.026681 0.035250 6C 1dxz 0.027269 -0.048529 -0.024455 -0.038463 0.034411 0.037117 6C 1dyz 0.082409 0.068272 -0.035841 0.198032 -0.099084 0.158646 6C 1dx2y2 -0.159848 -0.008731 0.037356 -0.060759 0.031490 0.006057 6C 1dxy 0.041059 0.023722 -0.002771 0.067115 -0.035147 0.002036 6C 2dz2 0.221757 -0.393076 -0.123335 -0.348737 0.332232 0.044482 6C 2dxz 0.086974 -0.208778 -0.113484 -0.051844 0.125453 0.140574 6C 2dyz -0.002786 0.209716 0.101083 -0.004328 -0.169034 -0.154351 6C 2dx2y2 -0.335941 -0.132981 0.257348 -0.676754 0.300843 -0.356561 6C 2dxy -0.050645 -0.022717 0.063867 -0.218903 0.076323 -0.270424 6C 1f0 -0.120968 -0.052254 0.028935 -0.171240 0.074688 -0.102594 6C 1f+1 -0.049103 -0.108490 0.075974 -0.243875 0.146107 -0.113226 6C 1f-1 0.039457 0.339122 0.003555 0.437850 -0.338334 0.114995 6C 1f+2 -0.010412 0.010665 0.035540 -0.042898 0.012958 0.060450 6C 1f-2 0.215660 0.082281 -0.044820 0.203549 -0.135312 -0.023779 6C 1f+3 -0.249634 0.145713 0.127692 0.002860 -0.062769 -0.010806 6C 1f-3 0.074662 -0.224560 -0.067620 -0.189953 0.181494 0.158241 7C 1s 0.008972 -0.002211 0.004006 -0.000217 -0.004549 0.005012 7C 2s 0.016530 -0.005462 0.010776 -0.000689 -0.011519 0.012187 7C 3s 0.240960 0.022488 -0.098164 0.007458 0.030118 0.015390 7C 4s -1.476003 0.111284 0.007272 0.091257 0.276239 -0.593974 7C 5s -0.007995 -0.194773 0.265404 0.536182 0.048570 0.046243 7C 1pz 0.004661 0.039816 -0.058943 0.076337 0.085343 -0.043916 7C 1px -0.002274 0.030911 -0.058452 0.008227 0.022475 -0.025609 7C 1py -0.026005 -0.054748 0.089056 0.037279 -0.051386 -0.029360 7C 2pz 0.694982 -0.071814 0.037894 -0.626147 -0.546188 -0.184663 7C 2px 0.488759 -0.133254 0.244534 -0.156575 -0.215091 0.189395 7C 2py 0.760043 0.474049 -0.796900 -0.340164 0.270258 -0.069529 7C 3pz 0.391297 0.148949 0.051157 0.413541 -0.037948 -0.512686 7C 3px -0.039748 0.051852 0.011701 0.101556 0.025261 -0.051419 7C 3py 0.206656 0.126947 0.116314 0.340516 -0.038715 -0.322778 7C 1dz2 -0.013297 -0.048706 0.069201 0.002857 -0.059977 -0.078226 7C 1dxz 0.130543 -0.043433 0.042609 0.018731 -0.022323 0.057511 7C 1dyz -0.098170 0.053771 -0.076921 0.052396 0.093490 -0.060861 7C 1dx2y2 -0.154725 -0.036989 0.066371 0.001722 -0.022897 0.000794 7C 1dxy -0.068412 0.000146 0.007314 0.028202 0.031715 0.009373 7C 2dz2 0.182181 -0.225774 0.344525 -0.228009 -0.463856 -0.037482 7C 2dxz 0.075165 -0.137665 0.246268 -0.106017 -0.214013 0.069375 7C 2dyz 0.196275 0.226331 -0.337176 -0.210073 0.096682 -0.108480 7C 2dx2y2 -0.339818 -0.277659 0.449891 0.111650 -0.168236 -0.019004 7C 2dxy -0.276144 -0.051237 0.082674 0.022041 0.052877 0.159278 7C 1f0 -0.107380 -0.277855 0.451956 -0.059168 -0.365874 -0.168358 7C 1f+1 -0.257801 -0.178708 0.273718 0.075608 -0.074252 0.173492 7C 1f-1 -0.096370 -0.014948 0.030713 -0.040001 -0.051082 -0.013744 7C 1f+2 0.071486 -0.202919 0.297212 -0.035183 -0.258192 0.068575 7C 1f-2 0.053686 -0.065683 0.121748 0.014649 -0.030385 0.154254 7C 1f+3 0.038765 -0.005190 -0.010877 0.027228 0.012855 0.038426 7C 1f-3 -0.198877 0.101014 -0.123875 0.046679 0.164645 -0.049918 8C 1s -0.003760 0.002809 0.000995 0.003286 -0.001912 0.001675 8C 2s -0.009340 0.008328 0.003652 0.008392 -0.005674 0.004258 8C 3s 0.078626 -0.084011 -0.101869 0.050491 0.038662 0.068254 8C 4s -0.306687 0.171905 0.506600 -0.858451 0.082125 -0.808085 8C 5s -0.331374 0.350312 0.231607 0.633702 -0.284474 -0.108100 8C 1pz -0.041994 -0.004267 0.025183 -0.026734 0.018268 -0.005116 8C 1px -0.044800 0.015408 0.011100 0.006444 -0.007420 0.025726 8C 1py 0.053992 -0.086880 -0.037500 -0.084685 0.072007 -0.023054 8C 2pz -0.103668 1.051352 -0.021130 1.475345 -1.067537 0.364321 8C 2px 0.600574 0.041638 -0.238603 0.564697 -0.220907 -0.243925 8C 2py -0.135246 0.936145 0.342155 0.573034 -0.787429 -0.340456 8C 3pz 0.092818 -0.229090 -0.102386 -0.290967 0.213532 -0.009771 8C 3px 0.011583 -0.034326 -0.003278 -0.129377 0.071229 0.090045 8C 3py -0.161167 -0.010166 0.092832 -0.068950 0.059538 -0.067100 8C 1dz2 -0.043284 -0.106435 -0.000409 -0.163393 0.116576 -0.009896 8C 1dxz 0.131705 0.045116 -0.033097 0.094455 -0.069638 -0.075616 8C 1dyz 0.027218 -0.124713 -0.022269 -0.085363 0.108400 -0.002946 8C 1dx2y2 -0.097222 0.186644 0.055207 0.174830 -0.151683 0.008468 8C 1dxy -0.087858 0.136223 0.029675 0.154160 -0.120186 -0.002175 8C 2dz2 0.098279 -0.451112 -0.058562 -0.448540 0.415049 -0.040995 8C 2dxz -0.027140 0.000746 0.008293 0.019372 -0.011358 -0.057652 8C 2dyz 0.101215 -0.148311 -0.131810 -0.022076 0.093265 -0.016005 8C 2dx2y2 0.012390 -0.106610 -0.081027 -0.026628 0.068929 0.069146 8C 2dxy 0.237691 0.007300 -0.079873 0.149888 -0.056899 -0.059446 8C 1f0 -0.105277 -0.032335 0.037196 -0.092274 0.055149 0.025551 8C 1f+1 0.038999 0.129172 -0.016339 0.186239 -0.134472 -0.025422 8C 1f-1 -0.003756 -0.260551 -0.001669 -0.315137 0.249309 -0.098588 8C 1f+2 0.139587 -0.012130 0.004727 -0.000275 -0.002603 -0.145489 8C 1f-2 -0.150506 -0.134278 0.028081 -0.229155 0.155552 0.101817 8C 1f+3 0.024717 -0.260000 -0.010907 -0.363989 0.260654 -0.155877 8C 1f-3 0.122585 0.262228 0.006353 0.385669 -0.272149 0.038550 9C 1s -0.002413 -0.001021 0.002203 -0.000242 -0.000468 0.002805 9C 2s -0.006565 -0.003264 0.006431 0.000417 -0.001136 0.009001 9C 3s 0.126947 0.048852 -0.074768 -0.096185 -0.027288 -0.114206 9C 4s -0.671588 -0.178447 0.220490 0.641427 0.292753 0.260079 9C 5s -0.110384 -0.141395 -0.056941 -0.755512 -0.105034 0.611350 9C 1pz -0.066859 -0.044517 0.078875 0.001603 -0.039996 0.053197 9C 1px 0.001974 -0.022148 0.039187 0.005680 -0.018227 0.030911 9C 1py -0.038285 0.019737 -0.026311 0.010140 0.039302 0.043835 9C 2pz 0.482810 0.709616 -1.106990 -0.256808 0.628077 -0.120052 9C 2px 0.214917 0.568354 -0.896214 -0.255614 0.199868 -0.846469 9C 2py -0.107936 -0.858446 1.326739 -0.399861 -1.262311 -0.242504 9C 3pz 0.084135 -0.053638 0.162648 0.171641 -0.108327 -0.154373 9C 3px 0.036567 -0.082615 0.154502 0.081969 -0.038913 0.066883 9C 3py 0.140589 0.156857 -0.244904 0.098777 0.204484 -0.096313 9C 1dz2 0.077057 0.008449 -0.007950 0.025789 0.002536 -0.022026 9C 1dxz 0.112335 0.166874 -0.256685 0.003419 0.129924 -0.105498 9C 1dyz 0.066810 -0.017244 0.005151 0.037234 0.041576 0.080536 9C 1dx2y2 -0.007413 0.027979 -0.033633 0.028840 0.082634 0.114812 9C 1dxy -0.055215 -0.178963 0.273567 -0.022603 -0.216446 -0.000354 9C 2dz2 -0.178296 -0.265559 0.409317 0.000091 -0.274929 0.067590 9C 2dxz -0.034491 0.020685 -0.021770 0.010637 0.067329 0.065821 9C 2dyz -0.123880 0.037841 -0.023185 0.172498 0.174885 0.257343 9C 2dx2y2 0.007252 -0.121066 0.177701 0.014293 -0.069733 0.119475 9C 2dxy -0.098969 -0.272847 0.436205 0.018666 -0.262629 0.109854 9C 1f0 0.057258 0.207293 -0.316024 0.042659 0.259786 0.036030 9C 1f+1 -0.059618 0.297369 -0.458313 0.008384 0.305363 -0.190512 9C 1f-1 0.086428 0.064911 -0.115323 0.033125 0.122573 0.067616 9C 1f+2 0.032687 0.227566 -0.365888 0.046394 0.282800 0.053574 9C 1f-2 -0.055544 -0.007279 0.018731 -0.042628 -0.082503 -0.169656 9C 1f+3 -0.012930 -0.094471 0.142806 -0.031436 -0.164735 -0.177093 9C 1f-3 -0.020008 -0.066792 0.099203 -0.015478 -0.093690 -0.097968 10H 1s -0.034577 0.020815 0.013414 0.037780 -0.020511 -0.073449 10H 2s 0.064729 0.239574 0.288085 0.119229 -0.001336 -0.417593 10H 3s -0.027828 -0.084152 -0.117661 -0.093616 0.012461 0.094104 10H 1pz 0.060150 0.029404 0.035350 0.045620 -0.047982 -0.075392 10H 1px -0.004200 -0.115979 -0.136027 -0.040764 -0.013998 0.214252 10H 1py 0.028466 0.060208 0.074588 0.015236 0.038980 0.007451 11H 1s -0.013928 -0.129066 -0.175074 -0.000566 -0.125985 0.059960 11H 2s -0.178349 -0.876399 -1.077038 -0.010224 -0.706115 0.283626 11H 3s 0.013847 0.347518 0.432856 -0.009971 0.293746 -0.127942 11H 1pz -0.096285 -0.257081 -0.319337 0.020020 -0.209945 0.087977 11H 1px -0.040049 -0.271090 -0.331792 -0.013289 -0.207104 0.119223 11H 1py 0.002592 0.213713 0.263738 0.005523 0.185650 -0.030860 12H 1s -0.006141 0.063511 0.074845 -0.015766 0.093220 0.091317 12H 2s 0.251806 0.550559 0.684223 -0.158120 0.694968 0.256551 12H 3s -0.149290 -0.194967 -0.260164 0.003299 -0.250185 -0.100514 12H 1pz -0.032289 -0.096709 -0.127332 0.043047 -0.133400 -0.052698 12H 1px 0.067890 0.081638 0.097611 -0.038973 0.115171 0.078421 12H 1py 0.113068 0.246471 0.303640 -0.054905 0.296121 0.097660 13H 1s -0.001349 -0.004145 0.017027 -0.016458 -0.000714 -0.032583 13H 2s 0.403037 -0.248916 0.181387 0.107007 0.189163 -0.190007 13H 3s -0.171028 0.078741 -0.072302 0.027426 -0.051912 0.064694 13H 1pz 0.132137 -0.113114 0.063578 0.074683 0.091195 -0.041974 13H 1px -0.156575 0.080636 -0.067822 -0.048558 -0.056028 0.112082 13H 1py -0.095368 0.001041 -0.040396 0.081456 0.016820 -0.043691 14H 1s -0.071107 -0.040499 -0.022588 0.082499 0.053651 0.058773 14H 2s -0.145529 -0.490770 0.060375 0.705475 0.539186 0.185869 14H 3s 0.003435 0.166306 -0.033303 -0.220299 -0.191946 -0.102670 14H 1pz -0.021834 -0.132627 0.021353 0.171446 0.140461 0.031492 14H 1px -0.053970 -0.195997 0.023778 0.271909 0.208685 0.107026 14H 1py -0.061623 -0.091368 0.001172 0.173117 0.099212 -0.017402 15H 1s -0.017609 0.135011 -0.032230 -0.201118 -0.144075 0.064491 15H 2s -0.276141 0.828755 -0.208616 -0.920063 -0.777451 0.094539 15H 3s 0.043136 -0.322595 0.085997 0.426709 0.321524 -0.080783 15H 1pz 0.030352 -0.254381 0.051107 0.307632 0.248384 -0.039470 15H 1px -0.063095 0.069136 -0.029603 -0.059816 -0.059234 0.031073 15H 1py 0.141222 -0.307664 0.094343 0.330036 0.285598 -0.018215 16H 1s 0.163425 -0.023520 0.180184 0.064402 -0.023169 -0.378476 16H 2s -0.189854 0.065684 0.299339 0.189222 -0.045975 -0.676644 16H 3s -0.018696 0.011682 -0.075121 -0.001437 -0.004286 0.125078 16H 1pz 0.081835 0.003999 0.230786 0.114804 -0.031605 -0.484712 16H 1px 0.026969 -0.005642 -0.028551 -0.015712 0.007054 0.093272 16H 1py 0.088025 -0.012062 0.121002 0.039944 -0.016823 -0.265145 17H 1s 0.032166 -0.018855 -0.176408 -0.021753 0.021995 0.413099 17H 2s -0.385867 0.067321 -0.284708 0.035122 0.040011 0.652866 17H 3s 0.040721 -0.013256 0.088192 0.004920 -0.009049 -0.099669 17H 1pz 0.029099 -0.007327 0.123943 -0.013712 -0.014240 -0.281023 17H 1px 0.089109 -0.005323 0.160835 -0.005201 -0.022999 -0.381317 17H 1py -0.009052 -0.007054 -0.154614 -0.018477 0.020207 0.349759 18H 1s 0.027116 0.004844 0.175070 0.016498 0.034872 0.432531 18H 2s -0.378848 0.107411 0.260757 -0.039032 0.064806 0.684879 18H 3s 0.047239 -0.023970 -0.085528 -0.003644 -0.013795 -0.106499 18H 1pz -0.027734 0.024749 0.123195 -0.016537 0.025021 0.304206 18H 1px -0.087140 0.027885 0.154391 -0.008638 0.036026 0.400487 18H 1py 0.011820 -0.013281 -0.147826 -0.014909 -0.030492 -0.356447 19H 1s 0.181818 -0.046994 -0.170971 -0.060591 -0.035406 -0.397546 19H 2s -0.147064 0.024651 -0.306681 -0.177923 -0.062690 -0.708316 19H 3s -0.023356 0.021624 0.072157 -0.001403 0.000820 0.132658 19H 1pz -0.110338 0.026229 0.223403 0.107431 0.045071 0.502225 19H 1px -0.022196 0.001088 -0.030698 -0.015437 -0.009658 -0.101107 19H 1py -0.102105 0.028845 0.120383 0.039502 0.026222 0.288766 20H 1s -0.013810 0.138602 0.013979 0.197238 -0.145463 0.066484 20H 2s -0.171160 0.858321 0.104896 0.907023 -0.780715 0.102674 20H 3s 0.011220 -0.332918 -0.045735 -0.419806 0.324285 -0.083535 20H 1pz 0.002098 0.262535 0.020305 0.304028 -0.250411 0.042348 20H 1px 0.053134 -0.075518 -0.019987 -0.060817 0.061209 -0.031604 20H 1py -0.102126 0.319208 0.054991 0.324502 -0.286221 0.020881 21H 1s -0.074654 -0.038883 0.024710 -0.084836 0.055888 0.056805 21H 2s -0.184444 -0.501165 -0.004548 -0.712391 0.553589 0.176064 21H 3s 0.028732 0.173043 0.013930 0.224678 -0.195746 -0.099079 21H 1pz 0.037640 0.137747 0.005744 0.174493 -0.144073 -0.029183 21H 1px 0.069621 0.199092 0.002032 0.274068 -0.213194 -0.102442 21H 1py 0.054583 0.091264 -0.009498 0.172454 -0.103080 0.018343 22H 1s -0.008770 -0.007012 -0.016707 0.017882 -0.003046 -0.032843 22H 2s 0.344396 -0.272154 -0.145101 -0.092100 0.178866 -0.190329 22H 3s -0.133584 0.090370 0.061156 -0.032700 -0.044596 0.066871 22H 1pz -0.109320 0.121303 0.048414 0.070029 -0.088101 0.042461 22H 1px 0.143960 -0.088550 -0.054345 -0.042831 0.053739 -0.111414 22H 1py 0.078080 -0.008276 -0.041390 0.081381 -0.020216 0.042497 23H 1s -0.009263 0.057323 -0.084045 0.016561 0.100192 0.099577 23H 2s 0.234097 0.480565 -0.738423 0.165751 0.728706 0.284354 23H 3s -0.152196 -0.168470 0.278832 -0.006140 -0.264787 -0.109997 23H 1pz 0.028212 0.084456 -0.137083 0.043041 0.138866 0.057577 23H 1px -0.061371 -0.069243 0.100739 -0.039183 -0.117666 -0.084621 23H 1py -0.107015 -0.215623 0.328988 -0.058341 -0.311660 -0.108970 24H 1s -0.021453 -0.108965 0.185284 0.000649 -0.126288 0.065576 24H 2s -0.231751 -0.748945 1.152664 0.009110 -0.713834 0.310174 24H 3s 0.031822 0.296598 -0.462397 0.011928 0.296230 -0.138644 24H 1pz 0.111718 0.217228 -0.336987 0.020391 0.210195 -0.094764 24H 1px 0.060053 0.235312 -0.361014 -0.012912 0.212307 -0.130478 24H 1py -0.013870 -0.181191 0.280646 0.004791 -0.187632 0.031507 25H 1s -0.027378 0.018780 -0.017211 -0.037757 -0.022018 -0.079648 25H 2s 0.138256 0.197285 -0.303903 -0.124050 -0.021748 -0.460090 25H 3s -0.067564 -0.067175 0.124602 0.096665 0.020356 0.113521 25H 1pz -0.087051 -0.023446 0.037715 0.048250 0.053779 0.088168 25H 1px 0.033245 0.097010 -0.144279 -0.041794 0.006363 -0.231649 25H 1py -0.039653 -0.050644 0.079290 0.015852 -0.039098 -0.007493 26O 1s -0.005359 -0.003232 -0.002438 -0.004354 0.000547 0.007067 26O 2s -0.014386 -0.010479 -0.007166 -0.013431 0.000362 0.023352 26O 3s 0.003701 0.066990 0.025854 0.072785 0.029910 -0.189311 26O 4s 0.275016 -0.042340 0.089272 0.032527 -0.155757 0.396262 26O 5s 1.250249 0.217424 0.104308 0.103014 -0.173336 -0.492360 26O 1pz 0.037979 0.003943 -0.017454 -0.000596 -0.008822 0.011482 26O 1px -0.015766 -0.012375 -0.034380 -0.031335 -0.018631 0.001132 26O 1py 0.000929 -0.015581 -0.008008 -0.009847 0.024142 0.021728 26O 2pz -0.160900 0.006585 0.056019 -0.028422 0.058145 -0.003193 26O 2px -0.440688 -0.009201 -0.009437 -0.029214 0.143560 -0.055180 26O 2py -0.207742 -0.009965 -0.037112 -0.033605 -0.028553 -0.078095 26O 3pz 0.358533 -0.078702 -0.095358 -0.135801 -0.048173 -0.063157 26O 3px -0.141331 -0.118262 -0.086662 -0.227656 0.057518 0.004478 26O 3py 0.248652 0.010489 -0.016911 -0.157305 0.087857 -0.169631 26O 1dz2 0.011652 0.004133 0.012868 -0.001844 0.008961 0.009420 26O 1dxz 0.006299 -0.002118 0.002020 -0.006517 0.009915 0.022221 26O 1dyz 0.016871 -0.006671 -0.010319 -0.001900 -0.001516 0.015429 26O 1dx2y2 -0.010556 0.002681 0.006405 -0.002263 0.007597 -0.004933 26O 1dxy -0.005685 -0.004299 -0.003646 -0.003474 0.004441 0.016601 26O 2dz2 -0.095715 -0.024671 -0.007916 -0.030031 0.033575 -0.012251 26O 2dxz 0.089459 -0.004058 0.011211 0.015704 -0.024560 -0.072294 26O 2dyz 0.065515 0.007405 -0.006734 -0.002823 -0.004081 -0.037318 26O 2dx2y2 0.147445 -0.026116 0.002165 0.007645 -0.038658 0.026269 26O 2dxy 0.112267 0.006872 0.016671 0.027530 -0.020207 0.049770 26O 1f0 0.003987 0.024388 0.025159 -0.006322 0.022624 0.020486 26O 1f+1 -0.003074 -0.013714 -0.018458 0.001919 -0.011366 0.012989 26O 1f-1 -0.011863 -0.003158 -0.007035 -0.007844 -0.002912 -0.010735 26O 1f+2 0.005645 0.010385 0.010452 0.005876 0.000029 -0.017398 26O 1f-2 -0.004811 0.022017 0.021862 -0.010059 0.024044 -0.016095 26O 1f+3 -0.002931 0.015328 0.017621 0.000421 0.012296 -0.017203 26O 1f-3 0.023617 0.017444 0.024216 0.005527 0.010778 -0.006708 27O 1s -0.006868 0.004925 -0.001396 -0.000615 -0.002065 -0.001492 27O 2s -0.018969 0.016268 -0.002865 -0.005358 -0.007422 -0.001707 27O 3s 0.041988 -0.111299 -0.045290 0.117837 0.065140 -0.070410 27O 4s 0.163870 0.157463 0.325107 -0.482441 -0.128986 0.400770 27O 5s 1.383187 -0.518043 0.438897 -0.123093 0.089016 0.533125 27O 1pz -0.054455 0.000990 -0.007306 0.032637 0.029928 0.026689 27O 1px -0.030922 0.024975 -0.011573 -0.011150 -0.012391 -0.001202 27O 1py 0.057459 0.010940 0.016166 0.010154 0.008023 -0.053554 27O 2pz 0.141934 0.017003 0.010853 -0.112663 -0.077634 -0.021333 27O 2px -0.382845 0.041257 -0.252340 0.245358 0.035577 -0.287794 27O 2py 0.004395 -0.021883 0.050308 -0.110870 -0.048684 0.163033 27O 3pz 0.123006 -0.092895 0.020896 0.099813 0.090103 0.185084 27O 3px -0.256309 0.071471 -0.160053 0.197151 0.058357 -0.201793 27O 3py -0.056623 0.015097 0.060369 -0.056054 0.012426 -0.032562 27O 1dz2 0.013512 0.001851 0.005472 -0.016011 -0.007771 0.007486 27O 1dxz -0.001339 0.001987 -0.000779 -0.003307 -0.004049 0.007132 27O 1dyz -0.009833 -0.000633 -0.004579 0.000261 0.004895 0.000556 27O 1dx2y2 -0.017766 0.006782 -0.011863 -0.005956 -0.006518 -0.000617 27O 1dxy 0.009520 -0.001146 0.006902 -0.007447 -0.002018 -0.011631 27O 2dz2 -0.078524 -0.006496 -0.044995 0.045024 0.009067 -0.054943 27O 2dxz -0.050934 -0.031834 0.001758 0.051133 0.016840 -0.050028 27O 2dyz 0.007852 0.020667 0.003208 -0.037117 -0.007369 0.012134 27O 2dx2y2 0.141644 -0.026378 0.068980 -0.090730 -0.021929 0.117262 27O 2dxy -0.116263 0.018114 -0.054468 0.054180 0.007623 -0.058668 27O 1f0 0.011251 0.019624 -0.001351 -0.027206 -0.020043 0.013240 27O 1f+1 0.019198 -0.028432 0.011145 0.027188 0.025606 0.004984 27O 1f-1 -0.006572 -0.025082 0.001844 0.028413 0.019707 -0.004441 27O 1f+2 0.015980 -0.002730 0.007873 0.003826 -0.000649 -0.015324 27O 1f-2 0.039092 -0.000740 0.004589 -0.012821 -0.006969 -0.003970 27O 1f+3 -0.021776 0.007522 0.002960 -0.009788 -0.006935 0.004150 27O 1f-3 0.015818 0.000172 0.004332 0.004365 0.001349 -0.024017 28O 1s -0.004357 -0.003311 -0.003633 -0.004374 0.000738 0.000823 28O 2s -0.011346 -0.011233 -0.012273 -0.013912 0.001655 0.002819 28O 3s 0.016650 0.081374 0.081007 0.086057 0.009424 -0.027439 28O 4s 0.025015 -0.106304 -0.073118 -0.026187 -0.089371 0.062386 28O 5s 1.016767 0.232122 0.185855 0.132758 -0.152591 -0.049029 28O 1pz -0.051799 0.010784 -0.015961 -0.016610 -0.005619 -0.034661 28O 1px -0.005486 0.028102 0.035714 0.030412 -0.006980 -0.033635 28O 1py -0.017816 -0.002502 0.008912 0.012312 0.010724 -0.053254 28O 2pz -0.079604 -0.028922 -0.017963 0.005734 0.058382 -0.017348 28O 2px 0.240370 -0.025838 -0.011991 0.007042 -0.047597 0.063701 28O 2py -0.009663 -0.006253 -0.032902 -0.027548 -0.021235 0.086350 28O 3pz 0.063033 -0.043515 -0.136215 -0.197229 0.038098 -0.139341 28O 3px 0.210957 0.067240 0.077516 0.125228 -0.099655 -0.063883 28O 3py 0.030203 0.011779 -0.038454 -0.083072 0.046664 0.018557 28O 1dz2 0.004589 0.001726 0.009650 0.002437 0.002791 -0.014196 28O 1dxz 0.020763 0.002939 0.009253 -0.001869 0.002281 0.007819 28O 1dyz 0.005154 -0.000494 0.001807 -0.000691 -0.002038 0.001078 28O 1dx2y2 -0.003176 -0.000928 0.000999 -0.002398 0.006482 -0.000254 28O 1dxy 0.001033 -0.003144 -0.002518 -0.004897 0.000919 0.014192 28O 2dz2 0.010743 -0.033072 0.000016 -0.029010 0.011880 0.044476 28O 2dxz -0.112422 -0.004906 -0.012864 -0.008140 0.022261 -0.043812 28O 2dyz 0.052105 0.013267 -0.000019 -0.010399 0.006947 -0.008408 28O 2dx2y2 0.099150 -0.020327 -0.001581 0.026306 -0.039965 -0.035568 28O 2dxy -0.059327 -0.003822 0.004957 -0.011480 0.008092 0.031536 28O 1f0 -0.007068 -0.014082 -0.023121 0.000497 -0.023708 -0.012351 28O 1f+1 -0.002535 0.014336 0.011437 0.008316 -0.001393 -0.017644 28O 1f-1 -0.034335 0.014423 0.007603 -0.007551 0.013861 -0.019680 28O 1f+2 0.014093 0.005356 0.004715 -0.007932 0.008458 0.018456 28O 1f-2 -0.001106 0.001856 -0.001530 0.004697 -0.004218 -0.008354 28O 1f+3 -0.001798 -0.037421 -0.047455 0.005090 -0.037207 -0.011066 28O 1f-3 -0.017343 0.005460 0.008105 0.002062 0.003615 0.000154 29O 1s -0.015868 0.002815 -0.000101 0.000824 -0.000223 -0.001507 29O 2s -0.057301 0.010100 -0.000499 0.001563 -0.000836 -0.005686 29O 3s 0.508074 -0.087911 0.006958 0.016239 0.007700 0.056308 29O 4s -1.149148 0.196694 -0.021663 -0.067307 -0.024433 -0.127044 29O 5s 1.517038 -0.294405 0.012095 -0.175864 0.068388 0.078382 29O 1pz -0.045098 0.002149 -0.135304 -0.040583 0.016557 0.293918 29O 1px -0.019628 0.000410 -0.048044 0.013483 0.007813 0.109782 29O 1py 0.020761 0.001494 0.013832 -0.032175 -0.001621 -0.033257 29O 2pz 0.189108 -0.003456 0.592480 0.170769 -0.076650 -1.293627 29O 2px 0.137186 -0.013361 0.214819 -0.037300 -0.030306 -0.479934 29O 2py -0.029593 -0.002588 -0.056413 0.103625 0.005549 0.143766 29O 3pz 0.089417 -0.010435 -0.026707 0.031532 0.003178 0.042273 29O 3px -0.422321 0.067571 -0.037234 0.028094 -0.016375 -0.025967 29O 3py -0.266325 0.067970 0.022770 0.039406 -0.001934 -0.023136 29O 1dz2 -0.000186 0.003302 0.003492 0.003564 -0.000793 -0.012172 29O 1dxz -0.004884 0.002103 -0.004348 -0.005695 0.000542 0.012510 29O 1dyz -0.004521 -0.000293 0.006440 0.001630 -0.000241 -0.007329 29O 1dx2y2 0.017086 -0.000778 0.001103 0.003952 0.000727 0.008546 29O 1dxy 0.017231 -0.000833 0.000787 -0.008599 -0.001285 -0.004836 29O 2dz2 -0.082718 0.013329 -0.143589 -0.057663 0.018667 0.296206 29O 2dxz 0.025734 0.004103 0.128325 -0.002750 -0.015981 -0.285597 29O 2dyz -0.101043 0.000674 -0.236923 -0.062389 0.033093 0.535189 29O 2dx2y2 0.042905 -0.000940 0.043210 0.033918 -0.003849 -0.064617 29O 2dxy 0.018650 -0.002152 -0.103956 -0.014812 0.011589 0.242724 29O 1f0 -0.026727 0.002737 -0.015046 -0.004840 0.001875 0.030917 29O 1f+1 0.004953 -0.000321 -0.016254 -0.002647 0.002589 0.033658 29O 1f-1 -0.018730 0.004734 -0.027689 -0.012905 0.003725 0.057241 29O 1f+2 0.013950 -0.000553 0.009383 -0.002847 -0.000320 -0.018546 29O 1f-2 -0.000225 0.001071 0.045863 0.012592 -0.004907 -0.098852 29O 1f+3 -0.010180 -0.000886 -0.011851 -0.003956 0.002203 0.022865 29O 1f-3 -0.017183 -0.001998 -0.019775 0.008246 0.003447 0.051374 30O 1s -0.006101 0.003912 0.001887 -0.000253 -0.002574 -0.006053 30O 2s -0.017404 0.013016 0.008468 -0.003280 -0.009268 -0.017276 30O 3s 0.027177 -0.092610 -0.119879 0.088655 0.086574 0.072514 30O 4s 0.233303 0.164204 0.376950 -0.391315 -0.215017 0.006398 30O 5s 1.308496 -0.463049 0.033054 -0.072100 0.146012 0.886477 30O 1pz 0.010334 0.014176 -0.004246 0.009900 0.012686 -0.008619 30O 1px 0.075496 -0.019438 -0.003678 0.011763 0.018110 -0.015881 30O 1py -0.010397 0.012004 0.011343 -0.003356 0.011957 0.026835 30O 2pz -0.322793 0.015747 -0.062613 0.075073 -0.012560 -0.092524 30O 2px 0.186961 -0.004237 0.133114 -0.166820 -0.065948 0.158742 30O 2py 0.304751 -0.042371 0.026525 -0.112684 -0.059645 0.066140 30O 3pz 0.030931 -0.078142 -0.039771 0.173569 0.055477 -0.092620 30O 3px 0.358294 -0.081378 -0.008530 -0.083364 0.004171 0.191646 30O 3py -0.220711 0.084540 0.067006 -0.127713 -0.010181 -0.086088 30O 1dz2 0.000296 -0.000766 0.003429 -0.005476 -0.005131 0.000572 30O 1dxz 0.008203 -0.000881 0.004308 -0.008994 -0.003399 0.001397 30O 1dyz -0.012976 -0.000435 0.006401 -0.000852 0.004166 0.021413 30O 1dx2y2 -0.023466 0.004083 -0.004716 -0.000438 -0.003797 0.010879 30O 1dxy -0.014400 0.004326 -0.002963 -0.000528 -0.001771 -0.010878 30O 2dz2 0.009904 -0.034785 0.003667 0.031661 0.012867 0.009867 30O 2dxz -0.172572 -0.002283 -0.050362 0.072881 0.020656 -0.075148 30O 2dyz -0.130937 0.031230 -0.003327 0.001528 -0.001185 -0.041731 30O 2dx2y2 0.015388 -0.011875 0.038259 -0.038219 -0.015441 -0.008020 30O 2dxy 0.082566 -0.000166 0.036950 -0.058401 -0.019976 0.047752 30O 1f0 0.019128 -0.028512 0.004198 0.028927 0.023697 -0.002057 30O 1f+1 0.000628 0.011243 -0.003271 -0.011752 -0.008468 -0.003769 30O 1f-1 0.011572 0.000364 0.004168 -0.017625 -0.009675 0.003465 30O 1f+2 0.024250 0.022377 0.001355 -0.042072 -0.026516 0.013202 30O 1f-2 -0.013140 -0.006974 -0.005412 0.012264 0.006849 -0.002263 30O 1f+3 -0.001215 -0.014258 0.004051 0.013552 0.012200 -0.012530 30O 1f-3 -0.020282 -0.011393 0.003286 0.021846 0.014196 0.006377 31O 1s -0.005289 0.003775 -0.002206 0.000200 -0.002440 -0.006049 31O 2s -0.015112 0.012229 -0.009535 0.003028 -0.008939 -0.017378 31O 3s 0.023719 -0.078308 0.126898 -0.085155 0.086895 0.075608 31O 4s 0.179729 0.112836 -0.388478 0.381202 -0.227105 -0.007752 31O 5s 1.250962 -0.469454 0.012165 0.062863 0.144481 0.893326 31O 1pz -0.015289 -0.014803 -0.003409 0.010009 -0.013303 0.008335 31O 1px -0.067221 0.019267 -0.007396 0.010201 -0.016841 0.016128 31O 1py 0.015253 -0.010357 0.013419 -0.003383 -0.010637 -0.025811 31O 2pz 0.306597 -0.024955 -0.057096 0.071897 0.010539 0.091521 31O 2px -0.168623 0.023333 0.133486 -0.160160 0.069599 -0.155210 31O 2py -0.287827 0.047179 0.019481 -0.108378 0.058921 -0.067099 31O 3pz -0.076827 0.068181 -0.053428 0.172995 -0.064073 0.089845 31O 3px -0.329080 0.083309 -0.015395 -0.081847 0.000113 -0.190861 31O 3py 0.265970 -0.069610 0.082377 -0.132651 0.023165 0.097403 31O 1dz2 0.000529 -0.001355 -0.003425 0.005383 -0.005371 0.000177 31O 1dxz 0.007535 -0.001495 -0.004262 0.008975 -0.003612 0.001277 31O 1dyz -0.014140 -0.001360 -0.006963 0.000701 0.003807 0.020981 31O 1dx2y2 -0.021439 0.004727 0.003659 0.000273 -0.003704 0.010583 31O 1dxy -0.013573 0.004664 0.002466 0.000801 -0.001897 -0.010895 31O 2dz2 0.013957 -0.034428 0.001075 -0.031295 0.012943 0.009307 31O 2dxz -0.160945 0.005107 0.048924 -0.070677 0.023204 -0.074226 31O 2dyz -0.129764 0.031144 -0.001773 -0.000232 -0.002106 -0.041873 31O 2dx2y2 0.010417 -0.018152 -0.036930 0.037976 -0.017700 -0.009646 31O 2dxy 0.072347 -0.006354 -0.037112 0.056566 -0.021764 0.045320 31O 1f0 -0.015176 0.029205 0.000644 0.028624 -0.023722 0.002473 31O 1f+1 0.000295 -0.011329 -0.001838 -0.011383 0.008383 0.003721 31O 1f-1 -0.009920 0.000227 0.004240 -0.017543 0.010292 -0.003412 31O 1f+2 -0.023276 -0.021799 0.004020 -0.041164 0.027331 -0.013155 31O 1f-2 0.012488 0.006221 -0.006104 0.012471 -0.007553 0.001973 31O 1f+3 0.004421 0.015014 0.002279 0.013296 -0.012221 0.012554 31O 1f-3 0.019841 0.011979 0.002358 0.022027 -0.014363 -0.005676 32O 1s -0.016093 0.002819 -0.000518 -0.000724 -0.000157 -0.001466 32O 2s -0.058449 0.010118 -0.001708 -0.001210 -0.000632 -0.005528 32O 3s 0.525595 -0.088101 0.011990 -0.019181 0.006661 0.054766 32O 4s -1.193750 0.197425 -0.021574 0.074035 -0.022575 -0.122943 32O 5s 1.502946 -0.295019 0.058232 0.164415 0.058142 0.073021 32O 1pz 0.056250 -0.020255 -0.131738 -0.036518 -0.025918 -0.309621 32O 1px 0.018683 -0.007008 -0.046146 0.014978 -0.011812 -0.113983 32O 1py -0.011127 0.000237 0.009546 -0.032974 0.002869 0.027085 32O 2pz -0.236220 0.083463 0.578130 0.153018 0.117433 1.361979 32O 2px -0.133459 0.042677 0.203313 -0.043209 0.047471 0.498394 32O 2py -0.004180 -0.003941 -0.038429 0.107476 -0.009624 -0.115685 32O 3pz -0.091412 0.008913 -0.030080 0.033285 -0.003821 -0.042762 32O 3px 0.425846 -0.070602 -0.020541 0.025085 0.013968 0.023079 32O 3py 0.262086 -0.065686 0.035606 0.037045 -0.000201 0.022942 32O 1dz2 0.000273 0.002768 -0.003468 -0.003421 -0.001143 -0.012509 32O 1dxz -0.005453 0.002796 0.003928 0.005537 0.000951 0.013387 32O 1dyz -0.003140 -0.001073 -0.006535 -0.001580 -0.000446 -0.007845 32O 1dx2y2 0.018199 -0.000716 -0.000709 -0.004224 0.000958 0.008671 32O 1dxy 0.015894 -0.001051 -0.000182 0.008486 -0.001727 -0.004863 32O 2dz2 -0.094530 0.030700 0.128043 0.051709 0.025543 0.286139 32O 2dxz 0.029192 -0.013988 -0.130633 0.005157 -0.026482 -0.311708 32O 2dyz -0.118713 0.033822 0.233622 0.057772 0.050804 0.570177 32O 2dx2y2 0.053841 -0.007031 -0.048127 -0.034635 -0.007007 -0.083858 32O 2dxy 0.017552 0.011299 0.097143 0.011097 0.018128 0.242992 32O 1f0 0.027174 -0.004274 -0.012669 -0.003956 -0.002755 -0.029811 32O 1f+1 -0.004389 -0.001831 -0.017355 -0.002351 -0.003755 -0.037882 32O 1f-1 0.023236 -0.008483 -0.026552 -0.012541 -0.005549 -0.060553 32O 1f+2 -0.014736 0.001950 0.008760 -0.002582 0.000990 0.019111 32O 1f-2 -0.003670 0.005060 0.045168 0.011336 0.007974 0.103917 32O 1f+3 0.010723 -0.000403 -0.009860 -0.003733 -0.002677 -0.020103 32O 1f-3 0.016428 -0.000899 -0.019345 0.008708 -0.005512 -0.054601 33O 1s -0.005213 -0.002769 0.003762 0.004510 0.000936 0.001236 33O 2s -0.013684 -0.009387 0.012744 0.014323 0.002334 0.004145 33O 3s 0.018295 0.068796 -0.084633 -0.088035 0.004843 -0.034655 33O 4s 0.080852 -0.093985 0.074153 0.028327 -0.084157 0.063618 33O 5s 1.097039 0.207283 -0.181730 -0.148614 -0.163731 -0.068971 33O 1pz 0.057660 -0.012639 -0.013894 -0.017615 0.004981 0.032811 33O 1px -0.001730 -0.022977 0.038121 0.030618 0.008700 0.037238 33O 1py 0.015483 0.003573 0.007667 0.011338 -0.010689 0.053981 33O 2pz 0.100427 0.025807 -0.021152 0.004879 -0.059948 0.016157 33O 2px -0.271063 0.023415 -0.016721 0.010286 0.047892 -0.059375 33O 2py 0.020564 0.001654 -0.030091 -0.025455 0.020455 -0.086943 33O 3pz -0.003781 0.026249 -0.147789 -0.198986 -0.044572 0.116293 33O 3px -0.250216 -0.056973 0.081269 0.127975 0.104540 0.077447 33O 3py -0.011229 -0.017300 -0.038934 -0.081324 -0.050260 -0.029930 33O 1dz2 0.005402 0.000471 -0.009585 -0.002313 0.002417 -0.015280 33O 1dxz 0.022555 0.001714 -0.008971 0.001561 0.001977 0.007391 33O 1dyz 0.004940 -0.000723 -0.001874 0.000585 -0.002360 0.000501 33O 1dx2y2 -0.005092 -0.000930 -0.000645 0.002707 0.007026 0.000808 33O 1dxy 0.000183 -0.002956 0.002881 0.004819 0.000802 0.014704 33O 2dz2 0.005654 -0.033332 0.004541 0.029252 0.012240 0.048836 33O 2dxz -0.127067 -0.004002 0.013426 0.010096 0.022348 -0.041811 33O 2dyz 0.050177 0.012892 0.001197 0.010907 0.007296 -0.004901 33O 2dx2y2 0.113217 -0.019966 0.004745 -0.027467 -0.041439 -0.041501 33O 2dxy -0.063735 -0.003962 -0.007526 0.010721 0.008020 0.030320 33O 1f0 0.007057 0.012014 -0.024847 0.000399 0.024923 0.012663 33O 1f+1 -0.000198 -0.012875 0.013216 0.008188 0.001459 0.018631 33O 1f-1 0.036424 -0.013646 0.009404 -0.008245 -0.014433 0.018573 33O 1f+2 -0.012217 -0.004896 0.005471 -0.007802 -0.008934 -0.019288 33O 1f-2 0.000146 -0.002136 -0.001035 0.004823 0.004123 0.008935 33O 1f+3 0.002299 0.031885 -0.050886 0.005037 0.037706 0.010989 33O 1f-3 0.016499 -0.004717 0.009576 0.001946 -0.003973 -0.000126 34O 1s -0.006198 0.005237 0.000791 0.000476 -0.001739 -0.001263 34O 2s -0.017387 0.017010 0.000835 0.004841 -0.006434 -0.000968 34O 3s 0.048539 -0.106358 0.060227 -0.112714 0.061279 -0.074054 34O 4s 0.073254 0.108504 -0.353099 0.470859 -0.138877 0.397518 34O 5s 1.320375 -0.584993 -0.375569 0.125743 0.059287 0.506912 34O 1pz 0.051063 -0.001785 -0.005872 0.032348 -0.029907 -0.025317 34O 1px 0.024539 -0.026455 -0.008236 -0.010954 0.010513 -0.000411 34O 1py -0.057366 -0.008817 0.015178 0.009656 -0.008117 0.054314 34O 2pz -0.130617 -0.015892 0.010494 -0.111665 0.077603 0.016818 34O 2px 0.333100 -0.081134 -0.250589 0.241596 -0.047671 0.279960 34O 2py 0.012302 0.030544 0.052699 -0.108764 0.054523 -0.161870 34O 3pz -0.138217 0.094728 0.010778 0.101446 -0.093190 -0.183531 34O 3px 0.190708 -0.100887 -0.158238 0.194674 -0.078353 0.187996 34O 3py 0.095319 -0.003418 0.062732 -0.055083 -0.004031 0.038217 34O 1dz2 0.012680 0.001124 -0.005607 0.015862 -0.008159 0.007468 34O 1dxz -0.001340 0.002160 0.000361 0.003139 -0.004144 0.007084 34O 1dyz -0.011161 -0.000150 0.004441 -0.000127 0.005147 0.000799 34O 1dx2y2 -0.015683 0.008468 0.010815 0.005915 -0.006152 -0.000126 34O 1dxy 0.007924 -0.002222 -0.006513 0.007792 -0.002303 -0.011500 34O 2dz2 -0.070156 0.000946 0.046405 -0.043961 0.011497 -0.052857 34O 2dxz -0.043740 -0.031597 0.002090 -0.049320 0.016828 -0.051502 34O 2dyz -0.000351 0.019457 -0.006192 0.036867 -0.008130 0.012496 34O 2dx2y2 0.124482 -0.037531 -0.067146 0.088580 -0.026027 0.114729 34O 2dxy -0.105358 0.026201 0.052049 -0.053409 0.010675 -0.058268 34O 1f0 -0.010319 -0.019512 0.001205 -0.026303 0.020552 -0.013103 34O 1f+1 -0.015068 0.029900 0.007550 0.026699 -0.025165 -0.004568 34O 1f-1 0.008171 0.025377 -0.001167 0.028413 -0.020214 0.004546 34O 1f+2 -0.016302 0.003828 0.007027 0.003511 0.001236 0.015860 34O 1f-2 -0.037155 0.001523 0.003948 -0.012797 0.007447 0.004019 34O 1f+3 0.020084 -0.007175 0.004338 -0.009958 0.007330 -0.003776 34O 1f-3 -0.017079 0.000199 0.003359 0.003818 -0.001335 0.023665 35O 1s -0.006046 -0.002863 0.002501 0.004478 0.000680 0.007603 35O 2s -0.015824 -0.009352 0.007329 0.013762 0.000721 0.024860 35O 3s -0.009650 0.061625 -0.026010 -0.072680 0.029280 -0.192988 35O 4s 0.397066 -0.049185 -0.097595 -0.041647 -0.162602 0.371532 35O 5s 1.338807 0.205124 -0.093229 -0.124162 -0.184658 -0.538600 35O 1pz -0.033852 -0.005479 -0.018592 -0.000300 0.008304 -0.013720 35O 1px 0.017739 0.007581 -0.034420 -0.031902 0.017712 -0.004119 35O 1py 0.003239 0.013721 -0.009841 -0.009906 -0.025859 -0.025291 35O 2pz 0.164329 -0.000820 0.060169 -0.030301 -0.057376 0.003015 35O 2px 0.516580 0.009993 -0.008141 -0.038341 -0.148340 0.035382 35O 2py 0.236888 0.008774 -0.036782 -0.038484 0.030899 0.073817 35O 3pz -0.326472 0.066230 -0.113910 -0.133240 0.047559 0.053630 35O 3px 0.203323 0.108170 -0.100663 -0.234142 -0.059252 -0.027739 35O 3py -0.211664 -0.015052 -0.027040 -0.161166 -0.092936 0.155147 35O 1dz2 0.013046 0.002761 -0.013151 0.001588 0.009169 0.009151 35O 1dxz 0.004149 -0.002326 -0.001466 0.006521 0.010374 0.023866 35O 1dyz 0.015797 -0.005379 0.011314 0.001717 -0.001240 0.016180 35O 1dx2y2 -0.012568 0.002070 -0.006946 0.002434 0.007767 -0.004834 35O 1dxy -0.008299 -0.003900 0.004032 0.003610 0.004850 0.017995 35O 2dz2 -0.115905 -0.024089 0.010564 0.032177 0.034585 -0.007100 35O 2dxz 0.096971 -0.005669 -0.009016 -0.016627 -0.026388 -0.078752 35O 2dyz 0.063455 0.008113 0.007982 0.002540 -0.004351 -0.038895 35O 2dx2y2 0.163047 -0.026146 0.001911 -0.009807 -0.039876 0.022277 35O 2dxy 0.131835 0.006164 -0.018305 -0.031462 -0.021093 0.043171 35O 1f0 -0.003302 -0.021667 0.027958 -0.006303 -0.023559 -0.021609 35O 1f+1 0.003832 0.011696 -0.019780 0.002385 0.011826 -0.012657 35O 1f-1 0.013598 0.002354 -0.007352 -0.008005 0.003148 0.010536 35O 1f+2 -0.008407 -0.009274 0.011691 0.006092 0.000252 0.019382 35O 1f-2 0.007168 -0.019410 0.023544 -0.010545 -0.024528 0.015519 35O 1f+3 0.002269 -0.013260 0.018778 0.000505 -0.012006 0.018487 35O 1f-3 -0.026297 -0.014248 0.024839 0.005657 -0.010468 0.007861 576 577 578 579 580 581 3.95057 3.98351 3.99818 3.99935 4.03838 4.05049 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s 0.001299 -0.000689 -0.002744 0.001604 -0.004020 -0.004332 0Rh 2s -0.012682 0.006226 0.025057 -0.016240 0.032988 0.043096 0Rh 3s 0.000126 -0.000369 -0.001318 -0.000187 -0.004175 0.000033 0Rh 4s 0.070362 -0.034660 -0.139496 0.090403 -0.184415 -0.239516 0Rh 5s -0.164793 0.080090 0.321949 -0.216234 0.413907 0.556996 0Rh 6s 0.174333 -0.079789 -0.318169 0.245107 -0.352300 -0.550731 0Rh 7s -0.265835 0.114138 0.518708 -0.402424 0.070169 0.625408 0Rh 8s 0.077306 0.121460 -0.120071 0.015648 0.151947 -0.719716 0Rh 1pz 0.007422 -0.001399 0.001975 -0.008680 0.003968 0.002635 0Rh 1px 0.006011 -0.000030 0.000666 0.005628 -0.002969 -0.006855 0Rh 1py -0.001045 -0.003932 -0.002619 0.001035 0.000113 -0.003887 0Rh 2pz -0.028621 0.005267 -0.007693 0.033835 -0.016280 -0.009655 0Rh 2px -0.023651 0.000400 -0.002565 -0.023014 0.010867 0.024925 0Rh 2py 0.003946 0.015022 0.011093 -0.004153 -0.000490 0.014876 0Rh 3pz 0.057309 -0.007704 0.016672 -0.074983 0.053493 0.008300 0Rh 3px 0.057381 -0.006779 0.004709 0.073548 -0.008696 -0.017121 0Rh 3py -0.006262 -0.026983 -0.043488 0.011512 0.002025 -0.026991 0Rh 4pz 0.003367 -0.013449 -0.002821 0.026186 -0.092012 0.047688 0Rh 4px -0.041170 0.025054 0.004678 -0.115101 -0.062490 -0.140863 0Rh 4py -0.006845 -0.015608 0.094073 -0.011949 -0.004139 -0.013505 0Rh 5pz -0.100915 0.041605 -0.026343 0.063653 0.150306 -0.092674 0Rh 5px 0.004346 -0.037418 -0.032801 0.137568 0.177259 0.257057 0Rh 5py 0.022718 0.081431 -0.163251 -0.000094 0.004542 0.058299 0Rh 6pz -0.086863 0.035986 0.080337 -0.033482 -0.699165 -0.496924 0Rh 6px -0.193489 -0.140237 0.246314 -0.253500 -0.445617 2.029473 0Rh 6py 0.030571 -0.238175 0.396796 0.180550 0.033526 0.375365 0Rh 1dz2 -0.027924 0.014424 -0.027179 0.003414 0.034426 -0.075882 0Rh 1dxz 0.056087 -0.002966 0.025917 -0.082334 -0.053880 -0.097915 0Rh 1dyz 0.062989 -0.000607 -0.063936 -0.039860 -0.046618 -0.011289 0Rh 1dx2y2 0.051214 -0.001720 -0.023199 0.008094 -0.048446 0.152727 0Rh 1dxy -0.004385 -0.059322 0.033559 -0.005327 -0.020937 0.040307 0Rh 2dz2 -0.002895 0.002400 -0.003291 -0.000394 0.006932 -0.012321 0Rh 2dxz 0.007361 0.000035 0.003978 -0.010957 -0.010343 -0.016210 0Rh 2dyz 0.009773 -0.000739 -0.008435 -0.006387 -0.007489 -0.002150 0Rh 2dx2y2 0.007048 -0.000539 -0.004027 0.001235 -0.008461 0.025173 0Rh 2dxy 0.000093 -0.008122 0.008616 -0.000696 -0.002955 0.007188 0Rh 3dz2 0.117575 -0.065676 0.117930 -0.010865 -0.162756 0.347225 0Rh 3dxz -0.243888 0.010944 -0.116241 0.361531 0.253276 0.450114 0Rh 3dyz -0.280931 0.004882 0.280577 0.180089 0.212230 0.053203 0Rh 3dx2y2 -0.223891 0.009049 0.106092 -0.036304 0.223077 -0.700560 0Rh 3dxy 0.015944 0.260522 -0.166709 0.023370 0.093333 -0.187978 0Rh 4dz2 -0.153816 0.100116 -0.165802 0.004995 0.248960 -0.535354 0Rh 4dxz 0.334160 -0.009961 0.167557 -0.507259 -0.391252 -0.700336 0Rh 4dyz 0.398656 -0.001392 -0.399558 -0.262624 -0.317656 -0.086085 0Rh 4dx2y2 0.308498 -0.017670 -0.156770 0.055982 -0.332232 1.083729 0Rh 4dxy -0.015915 -0.359515 0.266995 -0.032127 -0.135132 0.300865 0Rh 5dz2 0.116984 -0.147804 0.185727 0.045438 -0.239828 0.769769 0Rh 5dxz -0.273244 -0.026167 -0.148337 0.423932 0.455267 1.047829 0Rh 5dyz -0.321849 -0.086482 0.451915 0.239872 0.361938 0.153832 0Rh 5dx2y2 -0.240122 0.056260 0.159546 -0.099995 0.305039 -1.577811 0Rh 5dxy 0.008758 0.243885 -0.285542 0.013210 0.125930 -0.504292 0Rh 1f0 0.010301 0.002474 -0.000745 0.010927 0.020544 0.050246 0Rh 1f+1 0.003301 -0.006138 -0.008586 -0.021388 0.032398 -0.037295 0Rh 1f-1 -0.009039 0.017424 -0.004304 0.006081 0.003498 -0.003395 0Rh 1f+2 0.002722 0.016676 0.005772 -0.013276 -0.024449 -0.061306 0Rh 1f-2 -0.002368 -0.024040 -0.020600 -0.007335 -0.013404 -0.025224 0Rh 1f+3 -0.009250 0.012463 0.013311 -0.017850 0.007913 -0.070413 0Rh 1f-3 -0.001365 0.012674 -0.031913 -0.014350 -0.000397 -0.045115 1Rh 1s -0.001139 0.000548 -0.002467 -0.001990 -0.004157 0.004156 1Rh 2s 0.011291 -0.005014 0.022237 0.019796 0.034373 -0.041631 1Rh 3s -0.000006 0.000256 -0.001357 0.000015 -0.004163 -0.000201 1Rh 4s -0.062631 0.027911 -0.123803 -0.110194 -0.192110 0.231321 1Rh 5s 0.147283 -0.064817 0.284440 0.261979 0.431842 -0.538466 1Rh 6s -0.158229 0.065961 -0.275756 -0.290650 -0.370265 0.534398 1Rh 7s 0.247834 -0.101859 0.448501 0.483481 0.091889 -0.617138 1Rh 8s -0.076457 -0.121529 -0.107928 -0.035721 0.124096 0.724178 1Rh 1pz 0.007294 -0.001472 -0.000675 -0.008887 -0.003956 0.002516 1Rh 1px 0.005946 0.000021 -0.001667 0.005394 0.003293 -0.006713 1Rh 1py -0.001058 -0.003916 0.002403 0.001356 0.000138 -0.003875 1Rh 2pz -0.028123 0.005554 0.002627 0.034641 0.016217 -0.009162 1Rh 2px -0.023403 0.000211 0.006632 -0.022100 -0.012076 0.024393 1Rh 2py 0.003999 0.014944 -0.010218 -0.005537 -0.000484 0.014837 1Rh 3pz 0.056283 -0.008380 -0.005500 -0.076771 -0.052986 0.006587 1Rh 3px 0.056939 -0.006599 -0.017174 0.071559 0.010167 -0.016439 1Rh 3py -0.006404 -0.026433 0.040908 0.017440 -0.000043 -0.027077 1Rh 4pz 0.003012 -0.013159 -0.000835 0.026566 0.090451 0.050941 1Rh 4px -0.041496 0.025897 0.013475 -0.115004 0.066621 -0.138968 1Rh 4py -0.006499 -0.017407 -0.090789 -0.026037 0.004124 -0.012733 1Rh 5pz -0.096070 0.042535 0.016331 0.066598 -0.148666 -0.098704 1Rh 5px 0.005977 -0.039336 0.011591 0.143222 -0.185906 0.250919 1Rh 5py 0.021093 0.085219 0.161106 0.025843 -0.007211 0.056414 1Rh 6pz -0.129547 0.030932 -0.069560 -0.042564 0.720481 -0.458493 1Rh 6px -0.198072 -0.142003 -0.182778 -0.291532 0.373362 2.045234 1Rh 6py 0.040306 -0.251726 -0.417036 0.107238 -0.044698 0.380255 1Rh 1dz2 0.025572 -0.015144 -0.025861 -0.007668 0.032305 0.076978 1Rh 1dxz -0.053131 0.004212 0.014195 0.085666 -0.058026 0.095462 1Rh 1dyz -0.059234 -0.001082 -0.068659 0.029125 -0.046955 0.009012 1Rh 1dx2y2 -0.048710 0.001130 -0.021432 -0.011487 -0.043321 -0.154455 1Rh 1dxy 0.003017 0.060105 0.031729 0.010711 -0.020170 -0.041818 1Rh 2dz2 0.002558 -0.002456 -0.003194 -0.000124 0.006565 0.012551 1Rh 2dxz -0.006962 0.000119 0.002425 0.011469 -0.010996 0.015763 1Rh 2dyz -0.009250 0.000517 -0.009217 0.004951 -0.007553 0.001807 1Rh 2dx2y2 -0.006695 0.000414 -0.003765 -0.001833 -0.007613 -0.025459 1Rh 2dxy -0.000245 0.008328 0.008333 0.002064 -0.002788 -0.007428 1Rh 3dz2 -0.107222 0.068645 0.112521 0.029344 -0.152953 -0.352441 1Rh 3dxz 0.230964 -0.016350 -0.064820 -0.376476 0.272121 -0.438646 1Rh 3dyz 0.264456 0.002505 0.301984 -0.132876 0.213802 -0.042921 1Rh 3dx2y2 0.212895 -0.006259 0.098207 0.051859 0.199591 0.708422 1Rh 3dxy -0.010108 -0.264424 -0.158494 -0.050056 0.089603 0.194843 1Rh 4dz2 0.139346 -0.104066 -0.159130 -0.031052 0.233627 0.543346 1Rh 4dxz -0.316129 0.017418 0.095615 0.528845 -0.419896 0.682642 1Rh 4dyz -0.375700 -0.009077 -0.430423 0.195261 -0.320094 0.070790 1Rh 4dx2y2 -0.293171 0.013466 -0.145045 -0.079028 -0.295969 -1.095234 1Rh 4dxy 0.008005 0.365776 0.255363 0.074807 -0.128675 -0.311038 1Rh 5dz2 -0.105128 0.152311 0.184193 -0.015937 -0.216072 -0.776980 1Rh 5dxz 0.256974 0.020659 -0.090360 -0.443437 0.494142 -1.027301 1Rh 5dyz 0.301959 0.098580 0.475694 -0.164519 0.365635 -0.136304 1Rh 5dx2y2 0.227416 -0.052389 0.143561 0.123841 0.251906 1.587607 1Rh 5dxy -0.002414 -0.250666 -0.277991 -0.058870 0.111859 0.514495 1Rh 1f0 0.011338 0.002318 -0.000952 0.010808 -0.022232 0.049450 1Rh 1f+1 0.003951 -0.005937 0.011796 -0.019772 -0.030955 -0.038417 1Rh 1f-1 -0.009304 0.017437 0.003013 0.006569 -0.003564 -0.003482 1Rh 1f+2 0.002340 0.016787 -0.004358 -0.014156 0.026283 -0.060303 1Rh 1f-2 -0.002857 -0.023466 0.022217 -0.004029 0.014327 -0.024751 1Rh 1f+3 -0.009429 0.012176 -0.010662 -0.019776 -0.005584 -0.070436 1Rh 1f-3 -0.001626 0.013625 0.033222 -0.009187 0.001921 -0.045418 2C 1s -0.002382 -0.005137 0.007741 -0.005317 -0.005422 0.001138 2C 2s -0.008126 -0.014709 0.023642 -0.014661 -0.017049 0.004358 2C 3s 0.203191 0.047070 -0.259458 -0.010430 0.129459 -0.097369 2C 4s -1.051083 0.592203 0.463759 0.999004 0.294835 0.332301 2C 5s 0.530332 -0.544903 0.064277 -0.511399 0.382760 0.003292 2C 1pz 0.040691 0.083471 -0.139912 0.063525 0.097271 -0.038087 2C 1px 0.019667 0.032263 -0.028370 0.021073 0.023176 -0.009756 2C 1py 0.062033 0.050641 -0.099259 0.050587 0.065530 -0.026552 2C 2pz -0.188125 0.352065 0.215623 0.703639 0.287703 0.118200 2C 2px -0.862887 -0.904009 1.136189 -0.739408 -1.043578 0.375531 2C 2py -1.074397 0.068199 0.428282 0.030514 -0.275212 0.188085 2C 3pz -0.027741 -0.167036 0.117316 -0.138351 -0.017449 0.063965 2C 3px 0.158411 0.199748 -0.208011 0.179823 0.344196 -0.256296 2C 3py 0.190745 -0.024395 0.012081 -0.028917 0.124093 -0.024233 2C 1dz2 0.034116 0.081811 -0.089427 0.052593 0.056898 -0.052809 2C 1dxz 0.050459 0.080717 -0.136906 0.053693 0.060832 0.043570 2C 1dyz -0.102422 -0.038647 0.041771 -0.026066 -0.061766 0.001127 2C 1dx2y2 -0.135190 -0.149612 0.172315 -0.171997 -0.186121 0.038825 2C 1dxy 0.124025 -0.006210 -0.017995 0.026624 0.027620 0.044922 2C 2dz2 -0.024109 -0.090871 0.199198 0.040774 -0.109122 0.068455 2C 2dxz -0.115688 0.078654 -0.056282 0.129548 0.174164 -0.070199 2C 2dyz -0.432545 -0.229955 0.525163 -0.200689 -0.413325 0.166705 2C 2dx2y2 -0.109676 -0.240298 0.198061 -0.202320 -0.259728 0.059807 2C 2dxy -0.016337 -0.027477 0.072037 0.051297 0.038280 -0.009059 2C 1f0 0.152659 -0.025499 -0.001843 0.000886 -0.045165 0.008379 2C 1f+1 0.065739 -0.239584 0.100958 -0.230620 -0.193072 0.012051 2C 1f-1 0.096633 0.058585 0.022417 0.070611 0.022124 0.016012 2C 1f+2 0.168471 0.063334 -0.124183 0.088804 0.118479 -0.033047 2C 1f-2 -0.171234 -0.145146 0.087288 -0.122856 -0.087173 0.012210 2C 1f+3 -0.214329 -0.214357 0.227622 -0.203322 -0.198874 0.028017 2C 1f-3 -0.093597 -0.148141 0.152148 -0.173524 -0.184898 0.031708 3C 1s -0.000606 0.005680 -0.005150 -0.004642 -0.003395 0.000475 3C 2s -0.004077 0.016342 -0.016968 -0.013027 -0.011010 0.002024 3C 3s 0.218314 -0.079098 0.257339 0.050175 0.145871 -0.014148 3C 4s -1.270047 -0.435274 -0.762175 0.416083 -0.259653 -0.154916 3C 5s 0.838440 0.340619 0.165795 -0.365177 -0.369342 0.259686 3C 1pz 0.030177 -0.053517 0.071855 0.032800 0.039491 -0.008114 3C 1px 0.014289 -0.049969 0.047304 0.039759 0.024056 -0.009014 3C 1py -0.041297 0.083428 -0.102034 -0.067894 -0.065797 0.023922 3C 2pz -0.354887 -0.308089 -0.098897 0.409798 0.214335 -0.227798 3C 2px -0.580642 1.074098 -1.345045 -1.015629 -0.981531 0.363093 3C 2py 0.676786 0.275290 0.357237 -0.229857 0.148435 0.128240 3C 3pz 0.015229 0.139807 -0.038326 -0.076734 -0.151846 0.116486 3C 3px 0.160670 -0.213542 0.275663 0.211399 0.183450 -0.242576 3C 3py -0.137619 -0.082078 0.048540 0.132280 0.128257 -0.081855 3C 1dz2 -0.009430 0.010402 -0.038065 -0.032111 -0.000355 -0.025149 3C 1dxz 0.051128 -0.213511 0.212201 0.190615 0.145926 -0.018647 3C 1dyz 0.025905 -0.030262 0.073114 0.066400 0.079867 0.020702 3C 1dx2y2 -0.017242 0.086166 -0.073368 -0.090085 -0.082670 0.070767 3C 1dxy 0.013556 -0.029193 0.028319 0.023010 0.043039 -0.075586 3C 2dz2 0.037417 0.020475 0.035641 0.065792 0.024482 0.002618 3C 2dxz 0.025642 -0.253292 0.221158 0.282759 0.289686 -0.157406 3C 2dyz 0.300472 -0.305663 0.469299 0.219712 0.340532 -0.095261 3C 2dx2y2 0.116646 0.017913 0.089050 -0.000659 0.065187 -0.007671 3C 2dxy 0.143447 -0.151358 0.242674 0.128229 0.069945 0.037479 3C 1f0 0.050099 -0.134483 0.152154 0.126967 0.098570 -0.021298 3C 1f+1 -0.055813 0.190992 -0.167854 -0.163669 -0.181502 0.057462 3C 1f-1 0.027503 0.064872 0.019405 -0.091695 -0.062705 0.042789 3C 1f+2 0.007882 0.261281 -0.142423 -0.243006 -0.166287 0.053334 3C 1f-2 0.078272 -0.296288 0.242232 0.251123 0.218389 -0.067485 3C 1f+3 0.031426 0.122472 -0.034343 -0.093144 -0.042181 0.033080 3C 1f-3 -0.034562 -0.010986 -0.008181 0.013784 0.063468 -0.043104 4C 1s 0.003444 -0.012242 0.005261 -0.014689 -0.014366 0.000996 4C 2s 0.007718 -0.031981 0.016934 -0.037429 -0.035369 0.003158 4C 3s 0.086573 0.214692 -0.280322 0.184931 0.173848 -0.084320 4C 4s -0.528947 0.184125 0.507020 0.486552 0.574156 0.284268 4C 5s -0.530022 -0.122230 0.505802 0.040474 -0.354350 0.296725 4C 1pz 0.097852 -0.122974 0.061385 -0.138195 -0.080686 0.008895 4C 1px -0.038968 -0.021139 0.040526 -0.031066 -0.047188 -0.043904 4C 1py 0.001522 -0.072553 0.049261 -0.098795 -0.068825 -0.011999 4C 2pz -1.283848 0.532508 0.511390 0.957574 0.366986 0.330848 4C 2px -0.176059 -0.163941 0.776182 -0.244517 -0.711438 0.200745 4C 2py -0.580548 0.191505 0.582877 0.533275 -0.013668 0.264157 4C 3pz 0.303703 -0.180568 0.152188 -0.175477 0.613831 -0.068148 4C 3px 0.095934 -0.170910 0.160932 -0.157401 -0.062722 0.207212 4C 3py 0.165253 -0.227562 0.149094 -0.102816 0.355350 0.011823 4C 1dz2 0.070750 0.121831 -0.135060 0.123294 0.122188 0.050755 4C 1dxz 0.013222 -0.034092 -0.048155 -0.073467 -0.025359 -0.129201 4C 1dyz -0.096321 0.140961 -0.056669 0.183521 0.160652 0.002063 4C 1dx2y2 -0.039239 -0.009476 0.113187 0.000914 -0.015462 0.019466 4C 1dxy -0.072178 0.016484 0.052378 0.010353 0.012671 -0.078032 4C 2dz2 0.563073 -0.190476 -0.170549 -0.220266 -0.001212 -0.226548 4C 2dxz 0.126551 -0.357223 0.229236 -0.428391 -0.494866 0.210220 4C 2dyz 0.251036 -0.230657 -0.026656 -0.415647 -0.241988 -0.057058 4C 2dx2y2 -0.238926 0.161911 0.047559 0.370273 0.183247 0.090399 4C 2dxy -0.234008 -0.200193 0.378150 -0.137055 -0.165237 0.247346 4C 1f0 -0.227993 -0.200863 0.177828 -0.247961 -0.201292 0.027845 4C 1f+1 0.229786 0.194076 -0.356758 0.092158 0.158215 -0.109646 4C 1f-1 -0.065957 0.037302 -0.069991 0.048215 0.012089 0.004605 4C 1f+2 -0.174093 0.162998 -0.019340 0.188910 0.163729 0.011462 4C 1f-2 0.105683 0.214934 -0.121824 0.211349 0.195607 -0.037538 4C 1f+3 0.024047 0.169945 -0.139185 0.224210 0.274613 -0.042110 4C 1f-3 0.214397 -0.019930 -0.204185 -0.031720 0.090090 -0.071777 5C 1s 0.004056 0.011659 -0.003664 -0.008810 -0.006218 0.003312 5C 2s 0.009159 0.030576 -0.010503 -0.022859 -0.014898 0.008191 5C 3s 0.044283 -0.210167 0.135973 0.159236 -0.034933 -0.025790 5C 4s -0.465312 -0.188984 -0.174230 0.148239 0.756527 -0.163920 5C 5s -0.628188 0.180059 -0.446597 -0.168904 -0.226359 0.019656 5C 1pz 0.033160 0.063809 -0.012643 -0.035878 -0.016824 0.031268 5C 1px 0.058360 0.046618 -0.034977 -0.078933 -0.040686 -0.028308 5C 1py -0.075417 -0.098363 0.008448 0.076704 0.043339 -0.044287 5C 2pz -0.518882 -0.310630 -0.227789 0.177657 0.156271 -0.130390 5C 2px -0.889528 0.179162 -0.852924 -0.034714 -0.628615 0.046143 5C 2py 1.137265 0.287125 0.763070 -0.281973 -0.052772 0.211415 5C 3pz 0.331341 -0.021199 0.044093 -0.153223 -0.180856 0.005141 5C 3px 0.014586 0.103385 -0.042779 -0.095875 -0.271846 0.232058 5C 3py -0.454270 -0.121787 -0.076101 0.142484 0.353747 -0.034768 5C 1dz2 0.044053 0.021630 0.015699 -0.030192 -0.027500 0.053358 5C 1dxz 0.005572 0.005730 0.025991 -0.010339 -0.005243 -0.063969 5C 1dyz 0.100359 0.159236 -0.020598 -0.129852 -0.097654 0.000669 5C 1dx2y2 -0.040944 0.109579 -0.131900 -0.109036 -0.062871 -0.044524 5C 1dxy 0.038678 -0.028993 0.010712 0.026609 0.031441 0.116166 5C 2dz2 0.097764 -0.067991 0.078104 0.120674 0.127738 -0.114716 5C 2dxz 0.207290 0.308131 -0.065714 -0.256843 -0.305780 0.216992 5C 2dyz -0.318869 -0.118262 -0.209978 0.066153 -0.127531 0.066352 5C 2dx2y2 -0.561018 -0.083283 -0.384397 0.102211 -0.068280 0.032355 5C 2dxy -0.179413 -0.307798 0.229210 0.306015 0.134432 -0.318975 5C 1f0 0.041533 0.112187 -0.052115 -0.073349 -0.056367 0.052803 5C 1f+1 0.152820 0.004829 0.184188 0.001049 -0.001252 0.018331 5C 1f-1 -0.040542 -0.037137 -0.008896 0.063839 0.014796 -0.042109 5C 1f+2 0.113064 -0.213089 0.227878 0.175544 0.182095 -0.081194 5C 1f-2 -0.075193 0.104548 -0.156257 -0.081134 0.017068 0.008559 5C 1f+3 0.204077 -0.342111 0.342384 0.297931 0.333608 -0.099521 5C 1f-3 -0.061321 -0.289686 0.118582 0.247382 0.236292 -0.095828 6C 1s -0.004367 -0.012101 -0.004922 0.008313 -0.006152 -0.003475 6C 2s -0.010062 -0.031748 -0.013783 0.021403 -0.014749 -0.008570 6C 3s -0.031733 0.218498 0.160104 -0.137817 -0.033821 0.022916 6C 4s 0.443751 0.196972 -0.160655 -0.183313 0.747486 0.194021 6C 5s 0.623332 -0.199963 -0.477064 0.100288 -0.231857 -0.023547 6C 1pz 0.035818 0.065755 0.017446 -0.034356 0.015805 0.031829 6C 1px 0.060519 0.048774 0.046020 -0.073203 0.041686 -0.027306 6C 1py -0.077026 -0.101354 -0.019515 0.075881 -0.042263 -0.045708 6C 2pz -0.521827 -0.307586 0.206019 0.214255 -0.147501 -0.130972 6C 2px -0.906967 0.203896 0.860525 0.100911 0.627301 0.065006 6C 2py 1.127743 0.269654 -0.723455 -0.402371 0.041480 0.207461 6C 3pz 0.322256 -0.026046 -0.016527 -0.162631 0.178367 0.010254 6C 3px 0.008816 0.106788 0.059010 -0.087290 0.259797 0.240599 6C 3py -0.438603 -0.115695 0.050301 0.158567 -0.345902 -0.044109 6C 1dz2 -0.044003 -0.022081 0.011630 0.033297 -0.025821 -0.054216 6C 1dxz -0.007246 -0.004984 0.024941 0.014086 -0.006491 0.064507 6C 1dyz -0.103734 -0.163640 -0.038547 0.126951 -0.097249 -0.003079 6C 1dx2y2 0.033792 -0.115409 -0.145157 0.087500 -0.064893 0.042156 6C 1dxy -0.036296 0.028052 0.012269 -0.023439 0.033619 -0.116039 6C 2dz2 -0.100069 0.070031 0.097510 -0.106968 0.124372 0.118211 6C 2dxz -0.214278 -0.314408 -0.096908 0.245867 -0.296954 -0.226495 6C 2dyz 0.326810 0.114254 -0.202185 -0.099831 -0.125482 -0.072039 6C 2dx2y2 0.558155 0.075880 -0.371259 -0.163503 -0.065813 -0.034049 6C 2dxy 0.190236 0.321404 0.273210 -0.269859 0.124879 0.320881 6C 1f0 0.041774 0.116360 0.062917 -0.065633 0.053896 0.053394 6C 1f+1 0.151364 -0.000699 -0.184403 -0.027933 -0.000443 0.018422 6C 1f-1 -0.038010 -0.037759 -0.001027 0.064158 -0.012888 -0.041849 6C 1f+2 0.105426 -0.221114 -0.247496 0.137228 -0.176135 -0.085230 6C 1f-2 -0.062544 0.110673 0.164391 -0.055593 -0.017700 0.007738 6C 1f+3 0.193414 -0.353929 -0.376995 0.240208 -0.326888 -0.108505 6C 1f-3 -0.073314 -0.295859 -0.145037 0.226115 -0.227868 -0.100948 7C 1s -0.002874 0.012260 0.002706 0.015467 -0.014589 -0.001599 7C 2s -0.006261 0.032158 0.010332 0.039966 -0.035901 -0.004611 7C 3s -0.094791 -0.223031 -0.240028 -0.227638 0.173518 0.089946 7C 4s 0.516420 -0.156455 0.562291 -0.410470 0.594610 -0.256218 7C 5s 0.543984 0.136994 0.486975 0.039278 -0.346978 -0.318360 7C 1pz 0.093154 -0.123714 -0.039084 -0.147381 0.082530 0.011881 7C 1px -0.040528 -0.021429 -0.034432 -0.036972 0.048741 -0.042073 7C 1py 0.001561 -0.073653 -0.032824 -0.106945 0.071213 -0.009388 7C 2pz -1.257543 0.510113 -0.626698 0.870714 -0.392212 0.312224 7C 2px -0.182112 -0.183875 -0.718557 -0.365717 0.701379 0.230738 7C 2py -0.592326 0.172516 -0.645288 0.441429 -0.006500 0.264693 7C 3pz 0.334097 -0.180160 -0.123492 -0.191048 -0.605433 -0.093325 7C 3px 0.092312 -0.174616 -0.129980 -0.181029 0.057877 0.212719 7C 3py 0.181775 -0.228919 -0.130594 -0.120860 -0.352206 -0.001262 7C 1dz2 -0.069250 -0.122762 -0.108617 -0.142518 0.123616 -0.046389 7C 1dxz -0.013228 0.030493 -0.059847 0.063879 -0.029636 0.127338 7C 1dyz 0.088518 -0.141421 -0.027957 -0.192725 0.165203 0.004830 7C 1dx2y2 0.039596 0.013144 0.111173 0.017349 -0.014780 -0.019418 7C 1dxy 0.070017 -0.014983 0.052510 -0.002077 0.010181 0.078664 7C 2dz2 -0.547351 0.182842 -0.195110 0.191614 -0.012989 0.226512 7C 2dxz -0.109010 0.359007 0.160380 0.461752 -0.492399 -0.230007 7C 2dyz -0.248075 0.230103 -0.086255 0.411672 -0.253136 0.047507 7C 2dx2y2 0.244291 -0.157394 0.100274 -0.363491 0.193230 -0.082954 7C 2dxy 0.229328 0.206985 0.341814 0.191529 -0.153659 -0.253300 7C 1f0 -0.210390 -0.198280 -0.123590 -0.269425 0.198897 0.035784 7C 1f+1 0.228463 0.197580 0.323107 0.141361 -0.150532 -0.114959 7C 1f-1 -0.065456 0.039273 0.062117 0.058381 -0.012022 0.004634 7C 1f+2 -0.164805 0.157938 -0.010742 0.186893 -0.163739 0.003560 7C 1f-2 0.107095 0.214661 0.079981 0.227035 -0.196180 -0.045869 7C 1f+3 0.028967 0.172216 0.097680 0.245110 -0.275996 -0.053434 7C 1f-3 0.210930 -0.012467 0.201966 0.001587 -0.087212 -0.075108 8C 1s 0.000417 -0.005970 -0.005792 0.003851 -0.003433 -0.000585 8C 2s 0.003560 -0.017262 -0.018777 0.010429 -0.011111 -0.002411 8C 3s -0.217063 0.089462 0.264937 -0.010877 0.147215 0.020666 8C 4s 1.287987 0.420132 -0.707150 -0.533947 -0.267263 0.138384 8C 5s -0.834119 -0.336715 0.108997 0.395199 -0.351383 -0.271142 8C 1pz 0.028136 -0.056980 -0.076114 0.021940 -0.039568 -0.009643 8C 1px 0.011369 -0.052678 -0.052552 0.032423 -0.024045 -0.010062 8C 1py -0.039024 0.088833 0.112009 -0.052370 0.066011 0.026521 8C 2pz -0.352047 -0.307325 0.044758 0.420019 -0.204957 -0.231407 8C 2px -0.529519 1.126645 1.467421 -0.793766 0.960151 0.389143 8C 2py 0.699259 0.265836 -0.331359 -0.283342 -0.158991 0.116855 8C 3pz 0.013690 0.142133 0.048630 -0.070744 0.145981 0.120776 8C 3px 0.151004 -0.224371 -0.300174 0.164554 -0.172890 -0.246116 8C 3py -0.139373 -0.084196 -0.068319 0.125018 -0.123014 -0.085841 8C 1dz2 0.004744 -0.008548 -0.038417 0.023405 0.000970 0.026044 8C 1dxz -0.039922 0.221646 0.234830 -0.154629 0.142587 0.021488 8C 1dyz -0.026492 0.034413 0.082987 -0.055201 0.081573 -0.017844 8C 1dx2y2 0.016635 -0.091634 -0.086995 0.079551 -0.081586 -0.073826 8C 1dxy -0.011493 0.027391 0.027427 -0.016154 0.036891 0.075516 8C 2dz2 -0.041937 -0.012466 0.053629 -0.064186 0.032653 0.001724 8C 2dxz -0.019060 0.259348 0.253443 -0.242682 0.278459 0.162813 8C 2dyz -0.293156 0.328436 0.499858 -0.147827 0.339407 0.107636 8C 2dx2y2 -0.118938 -0.017223 0.087330 0.016036 0.063387 0.009357 8C 2dxy -0.129866 0.160222 0.256910 -0.087803 0.069619 -0.035701 8C 1f0 0.041556 -0.137943 -0.164151 0.099807 -0.094920 -0.023135 8C 1f+1 -0.047544 0.199087 0.187323 -0.137184 0.177781 0.061850 8C 1f-1 0.027330 0.062550 -0.008066 -0.091627 0.057930 0.042885 8C 1f+2 0.021251 0.267233 0.170118 -0.217372 0.160611 0.056312 8C 1f-2 0.062023 -0.304634 -0.268851 0.209220 -0.211543 -0.072588 8C 1f+3 0.033687 0.131593 0.052469 -0.091388 0.044686 0.035870 8C 1f-3 -0.025407 -0.013125 0.001221 0.016749 -0.063801 -0.045321 9C 1s 0.002511 0.005332 0.006643 0.006519 -0.005472 -0.001310 9C 2s 0.008510 0.015291 0.020522 0.018346 -0.017138 -0.004933 9C 3s -0.204388 -0.053960 -0.250578 -0.030991 0.125985 0.102233 9C 4s 1.031610 -0.574474 0.593881 -0.920598 0.322806 -0.321174 9C 5s -0.548275 0.538720 -0.017831 0.509427 0.372667 0.011937 9C 1pz 0.044459 0.086831 0.124998 0.085404 -0.096757 -0.041455 9C 1px 0.020532 0.032542 0.023288 0.025141 -0.023016 -0.010641 9C 1py 0.062170 0.053474 0.087748 0.066497 -0.065985 -0.029135 9C 2pz -0.202740 0.337905 -0.316047 0.661982 -0.300864 0.104373 9C 2px -0.867564 -0.914175 -0.960289 -0.898478 1.027715 0.416752 9C 2py -1.040947 0.057589 -0.410238 -0.036421 0.268851 0.200499 9C 3pz -0.021621 -0.167129 -0.090048 -0.153196 0.018359 0.064975 9C 3px 0.164407 0.201698 0.167040 0.208249 -0.333761 -0.271884 9C 3py 0.190835 -0.024908 -0.009500 -0.030643 -0.124456 -0.030906 9C 1dz2 -0.033743 -0.082123 -0.074823 -0.064538 0.054203 0.054199 9C 1dxz -0.057640 -0.086678 -0.126714 -0.077736 0.066236 -0.040695 9C 1dyz 0.099965 0.035921 0.031829 0.029843 -0.060055 -0.003266 9C 1dx2y2 0.137085 0.149618 0.136428 0.195696 -0.184962 -0.045792 9C 1dxy -0.113175 0.011344 -0.008567 -0.023013 0.022781 -0.045561 9C 2dz2 0.033963 0.097257 0.197197 -0.007852 -0.106569 -0.071998 9C 2dxz 0.107504 -0.082361 -0.037719 -0.141875 0.179070 0.080625 9C 2dyz 0.435532 0.239658 0.469162 0.280218 -0.407887 -0.182344 9C 2dx2y2 0.113400 0.237439 0.151437 0.227273 -0.255970 -0.069937 9C 2dxy 0.032918 0.039701 0.087138 -0.028614 0.026548 0.007687 9C 1f0 0.140389 -0.022888 -0.000248 0.004035 0.041963 0.010214 9C 1f+1 0.048766 -0.241494 -0.062542 -0.247397 0.200075 0.021776 9C 1f-1 0.089716 0.051149 -0.039899 0.059934 -0.018181 0.015160 9C 1f+2 0.158205 0.061190 0.098916 0.102905 -0.113373 -0.037239 9C 1f-2 -0.160824 -0.140707 -0.056081 -0.129779 0.082801 0.014887 9C 1f+3 -0.205557 -0.209307 -0.176338 -0.227599 0.190477 0.033295 9C 1f-3 -0.096778 -0.154194 -0.120936 -0.200716 0.190015 0.039918 10H 1s 0.080062 0.128682 -0.127042 0.141606 0.182665 -0.041335 10H 2s 0.522151 0.604699 -0.723506 0.552390 0.740967 -0.250450 10H 3s -0.262176 -0.181344 0.267632 -0.156324 -0.329849 0.172325 10H 1pz 0.177473 0.080546 -0.174569 0.055799 0.123633 -0.057146 10H 1px -0.200416 -0.297921 0.309378 -0.292080 -0.333316 0.061848 10H 1py 0.018929 -0.021535 -0.022576 -0.035425 -0.001513 -0.021050 11H 1s 0.015696 -0.107317 0.115742 -0.105981 -0.131628 0.031818 11H 2s 0.009293 -0.366974 0.441906 -0.240400 -0.318954 0.080994 11H 3s -0.046654 0.190429 -0.135284 0.134378 0.132389 -0.101320 11H 1pz -0.000135 -0.103083 0.145416 -0.051977 -0.067305 0.013891 11H 1px -0.025112 -0.153075 0.167860 -0.114546 -0.147530 0.029974 11H 1py -0.057459 0.018040 -0.008986 0.008762 0.019336 -0.001487 12H 1s -0.140988 -0.153103 0.173333 -0.146391 -0.186164 0.036255 12H 2s -0.639093 -0.382915 0.479504 -0.508376 -0.596464 0.114326 12H 3s 0.226109 0.203673 -0.144744 0.230385 0.257394 -0.118061 12H 1pz 0.139702 0.041780 -0.058679 0.028850 0.050120 -0.006730 12H 1px -0.141197 -0.129359 0.135247 -0.156784 -0.186296 0.028960 12H 1py -0.251922 -0.132222 0.167355 -0.188372 -0.217932 0.024247 13H 1s 0.064456 -0.166476 0.162564 0.149729 0.183890 -0.070678 13H 2s 0.228531 -0.685136 0.733436 0.694299 0.665646 -0.309052 13H 3s -0.173173 0.223465 -0.288426 -0.234136 -0.231396 0.160234 13H 1pz 0.074102 -0.163892 0.203979 0.168813 0.160705 -0.063738 13H 1px -0.063718 0.319868 -0.276801 -0.301469 -0.275356 0.094916 13H 1py -0.077869 0.036447 -0.121239 -0.056002 -0.065019 0.022129 14H 1s -0.033680 0.194870 -0.180651 -0.191219 -0.173544 0.060269 14H 2s -0.178601 0.637832 -0.664827 -0.571736 -0.483388 0.162685 14H 3s 0.004998 -0.263073 0.267447 0.263344 0.169488 -0.162596 14H 1pz -0.007833 0.085347 -0.095511 -0.075155 -0.046131 0.008363 14H 1px -0.070419 0.296826 -0.295319 -0.269222 -0.224616 0.064432 14H 1py -0.051257 0.054226 -0.073105 -0.063724 -0.069331 0.003108 15H 1s -0.005890 0.098492 -0.079012 -0.078050 -0.074042 0.034571 15H 2s -0.070699 0.230151 -0.226047 -0.273026 -0.297053 0.075822 15H 3s -0.008035 -0.138502 0.052439 0.116981 0.125358 -0.101908 15H 1pz 0.014531 -0.050588 0.039570 0.052601 0.073751 -0.019602 15H 1px -0.022233 0.098622 -0.089089 -0.100941 -0.094340 0.030680 15H 1py 0.015327 -0.073045 0.080884 0.101586 0.097153 -0.016171 16H 1s 0.412255 -0.084196 0.154318 -0.104436 -0.206824 0.069902 16H 2s 0.638162 -0.145190 0.350840 -0.342041 -0.362808 0.032176 16H 3s -0.150409 0.036713 -0.067042 0.058221 0.006271 -0.048266 16H 1pz 0.512192 -0.115450 0.220800 -0.178950 -0.261584 0.057678 16H 1px -0.079028 0.013273 -0.036124 0.053526 0.064428 0.055921 16H 1py 0.279851 -0.052134 0.089942 -0.081766 -0.137613 0.028763 17H 1s -0.381089 0.039837 -0.171785 0.170685 0.190782 0.048039 17H 2s -0.695888 0.071662 -0.042724 0.134323 0.367861 -0.011143 17H 3s 0.147742 -0.045115 0.070771 -0.023299 -0.044326 -0.035647 17H 1pz 0.270531 -0.021929 0.077733 -0.096938 -0.117427 -0.058931 17H 1px 0.372792 -0.034274 0.077228 -0.123866 -0.209383 0.032460 17H 1py -0.329788 0.042088 -0.125221 0.128949 0.169678 0.018957 18H 1s 0.358382 -0.049562 -0.148153 -0.198990 0.195674 -0.040684 18H 2s 0.647452 -0.081495 -0.033608 -0.142721 0.373659 0.027235 18H 3s -0.139427 0.047969 0.066435 0.034592 -0.046134 0.033522 18H 1pz 0.261615 -0.028788 -0.068193 -0.113590 0.126286 -0.054241 18H 1px 0.349391 -0.041450 -0.063539 -0.137622 0.212306 0.041175 18H 1py -0.300612 0.048872 0.106222 0.146034 -0.168385 0.011313 19H 1s -0.386892 0.093320 0.142180 0.129879 -0.207197 -0.077528 19H 2s -0.605766 0.161900 0.302425 0.399259 -0.364448 -0.044307 19H 3s 0.143984 -0.040220 -0.057771 -0.068735 0.006114 0.048509 19H 1pz 0.477242 -0.125865 -0.195562 -0.212645 0.258979 0.066202 19H 1px -0.078360 0.016342 0.030796 0.060839 -0.068767 0.052702 19H 1py 0.273455 -0.060632 -0.084453 -0.101261 0.143874 0.035825 20H 1s 0.004716 -0.103822 -0.090653 0.066375 -0.073604 -0.037306 20H 2s 0.074851 -0.246094 -0.267307 0.239118 -0.300454 -0.087050 20H 3s 0.007334 0.144037 0.070490 -0.109951 0.123770 0.106989 20H 1pz 0.017494 -0.053555 -0.048038 0.046668 -0.073677 -0.021943 20H 1px -0.019380 0.103508 0.102361 -0.086966 0.093964 0.033581 20H 1py 0.016474 -0.078327 -0.095629 0.089154 -0.098676 -0.019938 21H 1s 0.024720 -0.201539 -0.202398 0.160482 -0.168910 -0.064199 21H 2s 0.144315 -0.661507 -0.729571 0.458259 -0.467566 -0.171086 21H 3s 0.009326 0.272636 0.298965 -0.217877 0.159172 0.164700 21H 1pz -0.002108 0.090879 0.106209 -0.060250 0.045956 0.009195 21H 1px -0.054551 0.306752 0.325021 -0.218250 0.217391 0.068564 21H 1py -0.046574 0.056014 0.078964 -0.051065 0.068060 0.004834 22H 1s -0.060228 0.171956 0.179712 -0.122200 0.178832 0.074992 22H 2s -0.203990 0.715098 0.820139 -0.572130 0.649253 0.326724 22H 3s 0.164311 -0.235035 -0.317684 0.186070 -0.224220 -0.165756 22H 1pz 0.068143 -0.170539 -0.223897 0.133768 -0.156163 -0.067590 22H 1px -0.051793 0.332326 0.314197 -0.255603 0.269423 0.101846 22H 1py -0.076162 0.041655 0.129473 -0.037092 0.065478 0.024640 23H 1s 0.137706 0.152867 0.139248 0.169102 -0.183279 -0.042818 23H 2s 0.619537 0.380006 0.368529 0.569480 -0.588755 -0.136160 23H 3s -0.221550 -0.200945 -0.096170 -0.246055 0.253210 0.128635 23H 1pz 0.132303 0.040500 0.046946 0.035577 -0.048223 -0.008600 23H 1px -0.135242 -0.126541 -0.100143 -0.171130 0.181696 0.035872 23H 1py -0.245498 -0.132506 -0.128644 -0.211672 0.217946 0.032590 24H 1s -0.007954 0.110185 0.095738 0.124698 -0.133746 -0.037517 24H 2s 0.019007 0.379768 0.390850 0.311798 -0.323735 -0.095044 24H 3s 0.034334 -0.194326 -0.109028 -0.155308 0.131571 0.108965 24H 1pz -0.007066 -0.106437 -0.131831 -0.074637 0.067553 0.015899 24H 1px -0.032672 -0.157575 -0.144161 -0.141214 0.149756 0.036375 24H 1py -0.049681 0.017465 0.007493 0.009604 -0.019519 -0.002442 25H 1s -0.079248 -0.127959 -0.096481 -0.157783 0.180996 0.049370 25H 2s -0.526829 -0.609462 -0.599529 -0.654236 0.732950 0.281448 25H 3s 0.266025 0.184186 0.228913 0.194653 -0.322949 -0.186560 25H 1pz 0.177186 0.084517 0.158944 0.082891 -0.122365 -0.062519 25H 1px -0.201987 -0.298376 -0.246516 -0.333936 0.331149 0.075366 25H 1py 0.019520 -0.022904 0.026600 -0.034086 0.005117 -0.020515 26O 1s -0.004196 -0.006833 0.013857 -0.004425 -0.003911 0.006042 26O 2s -0.008702 -0.023345 0.041433 -0.016670 -0.011520 0.018908 26O 3s -0.063240 0.183304 -0.185333 0.163386 0.032733 -0.107310 26O 4s 0.590698 -0.352373 -0.098694 -0.423266 0.228144 0.060538 26O 5s 0.423115 0.496306 -1.324762 0.206670 -0.267645 -1.131051 26O 1pz -0.027988 -0.015080 -0.021761 -0.013205 0.011232 0.028687 26O 1px -0.023012 -0.023650 0.031231 -0.011306 -0.036941 0.030464 26O 1py -0.058436 -0.027847 0.019587 -0.015312 -0.001298 0.036637 26O 2pz -0.001769 -0.053360 0.157908 -0.077030 -0.123118 -0.077307 26O 2px -0.335388 0.021206 0.440868 0.067956 -0.110903 0.120313 26O 2py -0.011015 0.008796 0.184942 0.000866 -0.127464 -0.024371 26O 3pz -0.117075 0.065570 -0.150380 0.107755 -0.075857 -0.346108 26O 3px -0.240466 -0.051962 0.307681 0.157306 0.038932 -0.047138 26O 3py -0.235229 0.068505 -0.060808 0.057306 -0.192221 -0.216561 26O 1dz2 -0.001607 0.004011 -0.003783 0.010077 0.011623 0.006484 26O 1dxz -0.021052 -0.029867 0.026232 -0.025741 -0.025028 0.007609 26O 1dyz -0.014633 -0.003468 0.002607 0.002278 -0.010488 0.013410 26O 1dx2y2 -0.003907 0.006629 0.002591 0.007833 0.005892 -0.003306 26O 1dxy -0.017832 -0.014123 0.023744 -0.006873 -0.005850 0.004826 26O 2dz2 -0.086968 0.022656 0.106776 0.047764 -0.011607 -0.019720 26O 2dxz 0.089520 0.121409 -0.172231 0.113492 0.124797 -0.054700 26O 2dyz 0.002958 0.086059 -0.089486 0.078965 0.042967 -0.054697 26O 2dx2y2 0.100851 -0.049415 -0.115621 -0.070571 -0.036731 0.025271 26O 2dxy 0.078278 0.028143 -0.142514 0.032481 0.125819 -0.026371 26O 1f0 -0.018049 -0.028901 0.028952 -0.037500 -0.032892 0.005545 26O 1f+1 0.000186 -0.000872 -0.000671 0.007091 0.016395 -0.002743 26O 1f-1 -0.001963 -0.000288 -0.005800 -0.012999 0.001812 -0.045425 26O 1f+2 0.015971 0.029740 -0.025568 0.026203 0.021238 -0.000129 26O 1f-2 -0.018632 0.024476 -0.008809 0.021566 0.016362 -0.002011 26O 1f+3 0.001939 0.031218 -0.026233 0.027831 0.033698 -0.021632 26O 1f-3 0.013251 0.011027 -0.029438 0.001403 0.007229 -0.015015 27O 1s -0.008872 0.006861 -0.012567 -0.003513 -0.005790 0.003637 27O 2s -0.026908 0.022687 -0.037378 -0.010528 -0.016939 0.012270 27O 3s 0.101436 -0.156928 0.160969 0.053182 0.076622 -0.100616 27O 4s 0.278347 0.218160 0.190868 -0.019674 0.068062 0.226421 27O 5s 0.851173 -0.359129 0.917220 0.152875 0.366099 -0.825121 27O 1pz 0.005459 0.024941 0.017694 -0.027432 0.000595 0.015236 27O 1px -0.041200 0.045395 -0.039369 -0.030814 -0.038175 0.026922 27O 1py 0.010355 -0.021782 -0.011162 0.015380 -0.044800 -0.028706 27O 2pz -0.031865 -0.010394 -0.045197 0.041396 -0.008147 -0.046092 27O 2px -0.383313 0.005156 -0.387741 -0.023059 -0.085776 -0.037371 27O 2py 0.144725 -0.093339 0.191265 0.066585 0.223460 0.070247 27O 3pz -0.046840 0.010787 0.002556 0.004749 0.163745 -0.246187 27O 3px -0.507556 0.090871 -0.339723 0.054624 -0.062912 -0.338436 27O 3py 0.222808 0.014134 -0.087422 -0.044640 0.005998 0.411368 27O 1dz2 0.008718 -0.007573 0.006053 0.004667 0.016291 -0.000966 27O 1dxz -0.000256 0.017202 -0.013482 -0.017890 -0.017328 0.008045 27O 1dyz -0.008830 0.011877 0.002361 -0.004437 0.001384 -0.009461 27O 1dx2y2 -0.014275 0.002640 -0.007463 0.002840 0.012788 -0.011601 27O 1dxy 0.010756 -0.036132 0.038387 0.028763 0.022154 -0.011092 27O 2dz2 -0.078102 0.016963 -0.117047 -0.022156 -0.011664 -0.015458 27O 2dxz 0.016547 -0.077511 0.085299 0.045636 0.027300 -0.069644 27O 2dyz 0.012108 0.026590 0.009355 -0.014200 -0.001881 0.046928 27O 2dx2y2 0.121803 0.030500 0.116217 -0.019169 0.002899 0.091679 27O 2dxy -0.088553 0.162861 -0.166652 -0.151514 -0.226572 0.081236 27O 1f0 0.011582 0.014152 -0.017766 -0.011549 -0.020113 0.042912 27O 1f+1 0.013626 -0.014901 0.013022 0.016765 0.025220 -0.009029 27O 1f-1 -0.005722 0.003427 -0.015947 0.003996 -0.000435 0.011991 27O 1f+2 0.021732 -0.034244 0.022707 0.023896 0.005050 0.018006 27O 1f-2 0.012897 -0.011079 0.012917 0.006030 -0.005871 0.006096 27O 1f+3 0.008549 -0.017371 0.029384 0.010812 0.020886 -0.026289 27O 1f-3 0.004153 -0.047975 0.022422 0.036761 0.034025 -0.009145 28O 1s -0.006630 0.002373 0.009316 0.003962 -0.000665 -0.000616 28O 2s -0.020782 0.005288 0.030963 0.009451 -0.006857 -0.002673 28O 3s 0.090524 0.026208 -0.237289 0.036369 0.161041 0.042487 28O 4s 0.125225 -0.318831 0.567765 -0.509247 -0.693032 -0.157555 28O 5s 0.464230 -0.344243 -0.748078 -0.558822 -0.559259 0.617322 28O 1pz -0.021847 -0.003802 0.065329 -0.005482 -0.065762 -0.001512 28O 1px 0.051220 0.002696 -0.019466 0.005928 -0.006635 -0.003352 28O 1py -0.000189 0.016044 0.001815 -0.000544 -0.048064 -0.011750 28O 2pz -0.133626 0.265148 -0.246687 0.407326 0.497032 0.034817 28O 2px 0.140337 -0.118623 -0.050765 -0.270869 -0.202929 -0.019500 28O 2py -0.020355 0.046880 -0.066911 0.135071 0.231660 0.041205 28O 3pz -0.375551 0.047130 -0.085352 0.215109 -0.114721 0.665154 28O 3px 0.281196 -0.131954 -0.135579 -0.195055 -0.286603 -0.159614 28O 3py -0.179608 0.008455 -0.016374 0.031379 -0.034200 0.351923 28O 1dz2 0.013851 0.024616 -0.014517 0.018000 0.015127 -0.007747 28O 1dxz 0.010642 -0.012912 -0.011539 -0.018769 -0.007877 -0.011135 28O 1dyz 0.007827 0.011579 -0.003226 0.008170 0.011869 -0.012544 28O 1dx2y2 -0.018779 -0.008964 0.009006 -0.004678 -0.019809 0.008094 28O 1dxy -0.002149 -0.010730 0.010120 -0.015074 -0.003782 -0.003277 28O 2dz2 -0.043497 -0.113561 0.125711 -0.110534 -0.159602 0.072937 28O 2dxz -0.062460 0.105336 -0.040925 0.167966 0.170310 0.065823 28O 2dyz -0.042318 -0.052769 0.029522 -0.055618 -0.119813 0.064182 28O 2dx2y2 0.102682 0.035819 -0.115152 -0.016704 -0.003531 -0.094826 28O 2dxy 0.005915 0.050645 -0.010891 0.073038 0.137723 -0.007446 28O 1f0 0.021603 0.002936 -0.005803 0.000712 -0.002271 0.001766 28O 1f+1 0.017745 0.016000 -0.010768 0.008749 0.003841 -0.001446 28O 1f-1 -0.022106 0.007765 0.011106 0.022251 0.004256 0.039283 28O 1f+2 -0.008392 -0.000885 0.010855 -0.009483 0.004295 -0.022327 28O 1f-2 0.006336 0.009528 -0.016244 0.019583 0.013328 0.020053 28O 1f+3 0.014491 0.003575 -0.009557 0.012262 -0.001288 -0.000813 28O 1f-3 -0.001362 -0.004008 0.022061 -0.008081 -0.007033 -0.012349 29O 1s -0.002441 -0.000349 0.003094 -0.002201 -0.000293 0.015972 29O 2s -0.009003 -0.000336 0.010376 -0.008275 -0.000874 0.054296 29O 3s 0.085264 -0.016451 -0.076037 0.081623 0.004131 -0.425438 29O 4s -0.207166 0.069809 0.179541 -0.246522 -0.002594 0.689343 29O 5s 0.257425 0.021439 -0.486124 0.473052 0.033551 -0.650153 29O 1pz -0.307873 0.061384 -0.118902 0.104469 0.160564 -0.088257 29O 1px -0.108571 -0.005448 -0.040302 0.069927 0.050533 0.216129 29O 1py 0.032475 0.018310 -0.021165 -0.004752 -0.014236 0.004487 29O 2pz 1.327843 -0.247965 0.503610 -0.462356 -0.681267 0.228755 29O 2px 0.483058 -0.012245 0.135960 -0.216909 -0.232696 -0.498071 29O 2py -0.118970 -0.052999 0.045902 0.032766 0.058615 0.015351 29O 3pz -0.004037 0.018466 -0.089548 0.046881 -0.026075 -0.107445 29O 3px -0.086546 0.008316 0.077727 -0.133503 -0.001636 0.263178 29O 3py -0.041959 0.014571 0.092755 -0.093708 -0.004900 -0.006914 29O 1dz2 0.013899 -0.001829 0.002775 -0.009124 -0.014021 -0.002912 29O 1dxz -0.016938 0.005028 -0.003890 0.006306 0.020912 -0.008302 29O 1dyz 0.006228 -0.002589 0.004700 -0.003012 0.004601 -0.005116 29O 1dx2y2 -0.002981 -0.003935 -0.000993 0.012582 0.006192 0.016777 29O 1dxy 0.009280 0.003841 -0.015516 0.001887 -0.001457 0.012066 29O 2dz2 -0.312093 0.069778 -0.126416 0.083176 0.144245 -0.071246 29O 2dxz 0.262617 -0.021235 0.095443 -0.102897 -0.109610 -0.068806 29O 2dyz -0.544829 0.087199 -0.190443 0.186489 0.292560 -0.046437 29O 2dx2y2 0.080567 -0.034753 0.040278 0.007909 -0.034566 0.111237 29O 2dxy -0.218392 0.026684 -0.097621 0.100337 0.115954 0.081376 29O 1f0 -0.036832 0.006362 -0.005916 0.005946 0.015303 0.003437 29O 1f+1 -0.028889 0.004971 -0.017167 0.010557 0.009560 -0.005004 29O 1f-1 -0.063028 0.016486 -0.030432 0.018727 0.032523 -0.011216 29O 1f+2 0.018871 0.001519 0.002017 -0.004590 -0.000543 -0.021964 29O 1f-2 0.096807 -0.016628 0.048074 -0.038503 -0.048540 -0.008267 29O 1f+3 -0.025044 0.007702 -0.009816 0.000710 0.012841 -0.037179 29O 1f-3 -0.053518 -0.002677 0.001043 0.020209 0.024591 -0.001128 30O 1s -0.002023 -0.002281 -0.007871 -0.000445 -0.002318 -0.003819 30O 2s -0.003328 -0.005322 -0.026431 -0.004243 -0.010585 -0.011556 30O 3s -0.050272 -0.017545 0.207545 0.091469 0.162171 0.060570 30O 4s 0.372746 0.259140 -0.462656 -0.381719 -0.620062 -0.009019 30O 5s -0.062952 0.363517 0.454775 -0.124008 0.084037 0.907500 30O 1pz -0.013893 -0.006803 -0.029887 0.006449 -0.001547 -0.024902 30O 1px 0.026956 -0.019358 0.013818 0.015685 0.001650 0.004783 30O 1py 0.033307 -0.015016 0.045299 0.007789 0.053956 0.011961 30O 2pz -0.037086 -0.138108 0.125452 0.104474 0.181453 -0.000321 30O 2px 0.108933 0.098965 0.043391 -0.091701 -0.127589 0.086644 30O 2py -0.046144 0.293150 -0.230319 -0.220445 -0.411334 0.054947 30O 3pz -0.201515 -0.008226 -0.024230 -0.013623 -0.034538 0.282516 30O 3px 0.086454 0.133491 0.117390 -0.007145 -0.096225 0.074611 30O 3py 0.320837 0.035482 0.172606 0.045026 -0.159856 -0.512958 30O 1dz2 0.009473 -0.005810 0.009452 0.001434 0.002851 0.000262 30O 1dxz 0.003669 0.004784 0.013880 0.004262 -0.011973 -0.006313 30O 1dyz 0.009533 0.017008 -0.004139 -0.014999 -0.000726 0.016685 30O 1dx2y2 -0.002689 0.029225 -0.015800 -0.026870 -0.022451 0.014154 30O 1dxy 0.004105 -0.014853 0.006041 0.008637 0.006580 0.005822 30O 2dz2 0.002732 0.004755 -0.050288 -0.023220 0.021467 0.009162 30O 2dxz -0.067523 -0.000733 -0.001671 0.015839 -0.004065 0.036922 30O 2dyz 0.030795 -0.125593 0.097189 0.110832 0.144415 -0.065511 30O 2dx2y2 0.083129 -0.126446 0.151869 0.105062 0.110960 -0.104215 30O 2dxy 0.046616 0.111111 -0.020645 -0.093070 -0.172002 -0.007821 30O 1f0 0.001981 0.015751 -0.004037 -0.011581 -0.023288 -0.013747 30O 1f+1 -0.000828 0.005950 -0.005003 -0.010448 -0.012758 -0.011000 30O 1f-1 0.011272 -0.009908 0.017112 0.014446 0.011982 -0.005158 30O 1f+2 0.016779 -0.007110 0.008780 0.000188 0.009667 -0.028591 30O 1f-2 -0.018576 0.023560 -0.023585 -0.013653 -0.019277 -0.030344 30O 1f+3 0.005262 -0.017558 0.009231 0.016995 0.013290 0.002862 30O 1f-3 0.004298 0.008132 0.001320 -0.008370 -0.009919 0.000963 31O 1s 0.002150 0.002014 -0.007978 -0.000782 -0.002570 0.003661 31O 2s 0.003713 0.004379 -0.027165 0.000121 -0.011355 0.010982 31O 3s 0.046807 0.025995 0.221045 -0.059075 0.166304 -0.054383 31O 4s -0.363202 -0.280791 -0.515797 0.309562 -0.621883 -0.010582 31O 5s 0.049370 -0.356911 0.439634 0.193654 0.119568 -0.901430 31O 1pz -0.013924 -0.005790 0.029999 0.010420 0.003344 -0.025032 31O 1px 0.024874 -0.020366 -0.016939 0.013847 -0.002268 0.004761 31O 1py 0.035062 -0.016063 -0.046643 0.000996 -0.054428 0.010550 31O 2pz -0.034940 -0.144788 -0.141170 0.086347 -0.182016 -0.004667 31O 2px 0.107854 0.100622 -0.027068 -0.099985 0.124461 0.089425 31O 2py -0.049707 0.301976 0.258079 -0.183763 0.406541 0.065750 31O 3pz -0.203778 -0.009495 0.030960 -0.011693 0.026586 0.283713 31O 3px 0.086200 0.132922 -0.121850 -0.026051 0.092587 0.078113 31O 3py 0.316889 0.032985 -0.186202 0.019212 0.176202 -0.503793 31O 1dz2 -0.009108 0.006169 0.009544 0.000031 0.002767 -0.000228 31O 1dxz -0.003206 -0.004436 0.014464 -0.001968 -0.012093 0.005843 31O 1dyz -0.011179 -0.017335 -0.005945 0.014223 0.000119 -0.016385 31O 1dx2y2 0.001373 -0.029927 -0.018752 0.024030 -0.021550 -0.014693 31O 1dxy -0.003743 0.015063 0.006888 -0.007616 0.006452 -0.005809 31O 2dz2 -0.003627 -0.006684 -0.053028 0.014915 0.021524 -0.008217 31O 2dxz 0.065844 0.001883 0.001720 -0.016584 -0.002800 -0.037903 31O 2dyz -0.030397 0.129750 0.110176 -0.094502 0.140637 0.068902 31O 2dx2y2 -0.078676 0.131264 0.163333 -0.079528 0.105809 0.106695 31O 2dxy -0.046198 -0.112839 -0.031947 0.089049 -0.170622 0.003006 31O 1f0 0.002086 0.015782 0.004833 -0.010711 0.023232 -0.012945 31O 1f+1 -0.001149 0.006170 0.006510 -0.009605 0.013113 -0.010568 31O 1f-1 0.010491 -0.010278 -0.018729 0.011448 -0.011531 -0.005258 31O 1f+2 0.015934 -0.006989 -0.008165 -0.001445 -0.008342 -0.028751 31O 1f-2 -0.017793 0.024548 0.024995 -0.009895 0.020119 -0.029637 31O 1f+3 0.004701 -0.017667 -0.010969 0.015101 -0.012860 0.002689 31O 1f-3 0.005479 0.008043 -0.000461 -0.008430 0.009715 0.001233 32O 1s 0.002240 0.000428 0.002536 0.002703 0.000280 -0.015956 32O 2s 0.008318 0.000601 0.008336 0.009951 0.001067 -0.054252 32O 3s -0.079970 0.014431 -0.057097 -0.093803 -0.010910 0.425288 32O 4s 0.195877 -0.065174 0.128545 0.274459 0.022256 -0.689110 32O 5s -0.234146 -0.031800 -0.394511 -0.548865 0.005997 0.647377 32O 1pz -0.290975 0.067979 0.104897 0.124329 -0.160330 -0.093433 32O 1px -0.100546 -0.003438 0.030903 0.075657 -0.058156 0.214140 32O 1py 0.023287 0.019915 0.023898 0.001365 0.010880 0.004756 32O 2pz 1.253805 -0.276738 -0.442976 -0.546639 0.684995 0.251833 32O 2px 0.446697 -0.020328 -0.107570 -0.236520 0.250951 -0.489021 32O 2py -0.078299 -0.058708 -0.059737 0.012566 -0.044326 0.013962 32O 3pz -0.002644 0.021240 0.079321 0.061677 0.029340 -0.105699 32O 3px -0.080196 0.006345 -0.053675 -0.144888 -0.008549 0.262564 32O 3py -0.038472 0.013422 -0.073833 -0.107741 0.005381 -0.007749 32O 1dz2 -0.012868 0.001920 0.001416 0.009409 -0.014353 0.002246 32O 1dxz 0.016252 -0.005229 -0.003176 -0.006950 0.020749 0.009152 32O 1dyz -0.006221 0.002882 0.004163 0.003634 0.004368 0.005017 32O 1dx2y2 0.002927 0.003817 0.000734 -0.012661 0.006602 -0.016526 32O 1dxy -0.008626 -0.004184 -0.015023 -0.004403 -0.000908 -0.012104 32O 2dz2 0.271596 -0.072647 -0.108743 -0.094505 0.130872 0.074627 32O 2dxz -0.256867 0.029523 0.085756 0.123743 -0.120461 0.064488 32O 2dyz 0.520473 -0.101038 -0.170389 -0.221722 0.299355 0.057981 32O 2dx2y2 -0.089623 0.039190 0.045691 0.005005 -0.039063 -0.112759 32O 2dxy 0.194340 -0.030493 -0.081046 -0.111899 0.115563 -0.077115 32O 1f0 -0.031706 0.006003 0.004072 0.005897 -0.014134 0.003338 32O 1f+1 -0.029338 0.006289 0.016846 0.014750 -0.010851 -0.005333 32O 1f-1 -0.059871 0.018346 0.028154 0.023531 -0.032847 -0.012997 32O 1f+2 0.017523 0.000700 -0.002139 -0.004744 0.001498 -0.021174 32O 1f-2 0.091499 -0.019263 -0.042754 -0.046118 0.049700 -0.005746 32O 1f+3 -0.019740 0.007771 0.008390 0.000685 -0.009930 -0.037962 32O 1f-3 -0.051296 -0.001914 -0.003430 0.020438 -0.025547 -0.002337 33O 1s 0.006717 -0.002032 0.009735 -0.002422 -0.000653 0.000589 33O 2s 0.021203 -0.004216 0.031763 -0.004368 -0.006877 0.002357 33O 3s -0.096625 -0.032908 -0.227267 -0.074465 0.163013 -0.034858 33O 4s -0.104926 0.329983 0.483841 0.597304 -0.703712 0.125471 33O 5s -0.451092 0.315174 -0.821317 0.439759 -0.544630 -0.637449 33O 1pz -0.023326 -0.005326 -0.062438 -0.015523 0.065459 0.000981 33O 1px 0.051106 0.003318 0.017672 0.009396 0.006251 -0.002741 33O 1py -0.001781 0.015297 -0.002717 -0.001621 0.049210 -0.009314 33O 2pz -0.125064 0.264428 0.175982 0.440557 -0.499182 0.014173 33O 2px 0.133050 -0.115496 0.086767 -0.263618 0.208389 -0.010273 33O 2py -0.015522 0.049598 0.046294 0.147590 -0.237429 0.030229 33O 3pz -0.380948 0.048053 0.062837 0.230452 0.089301 0.668745 33O 3px 0.272466 -0.125360 0.157722 -0.174168 0.294281 -0.147349 33O 3py -0.174909 0.008940 0.018367 0.034033 0.022057 0.354805 33O 1dz2 -0.013515 -0.024288 -0.010222 -0.019571 0.014694 0.008397 33O 1dxz -0.010675 0.012219 -0.014273 0.016616 -0.008351 0.010793 33O 1dyz -0.007977 -0.011569 -0.001487 -0.008587 0.011616 0.013087 33O 1dx2y2 0.018929 0.009028 0.007438 0.005862 -0.019470 -0.008833 33O 1dxy 0.001688 0.010735 0.007217 0.016467 -0.004012 0.003065 33O 2dz2 0.043611 0.112983 0.100741 0.126384 -0.155711 -0.079495 33O 2dxz 0.059993 -0.103090 -0.013238 -0.172150 0.173226 -0.057749 33O 2dyz 0.043890 0.053238 0.017788 0.060192 -0.118768 -0.069462 33O 2dx2y2 -0.097935 -0.037748 -0.110723 0.000262 -0.008223 0.094232 33O 2dxy -0.010083 -0.051192 0.000903 -0.075504 0.139667 0.013446 33O 1f0 0.020333 0.002526 0.005089 0.001098 0.002644 0.001931 33O 1f+1 0.016993 0.015380 0.008001 0.009415 -0.003238 -0.001545 33O 1f-1 -0.021627 0.007057 -0.013756 0.020310 -0.005799 0.039077 33O 1f+2 -0.007918 -0.001333 -0.009005 -0.011455 -0.003140 -0.022431 33O 1f-2 0.006157 0.009751 0.012456 0.021822 -0.014025 0.019564 33O 1f+3 0.011959 0.003232 0.006701 0.013141 0.001690 -0.000823 33O 1f-3 -0.001285 -0.004411 -0.020256 -0.011298 0.007248 -0.012154 34O 1s 0.008569 -0.007350 -0.012928 0.001571 -0.005660 -0.003823 34O 2s 0.025897 -0.024205 -0.038432 0.004809 -0.016498 -0.012805 34O 3s -0.093952 0.165291 0.165357 -0.029964 0.072799 0.102928 34O 4s -0.292725 -0.220251 0.194342 0.055737 0.077473 -0.224083 34O 5s -0.832065 0.389095 0.940124 -0.011268 0.335657 0.832300 34O 1pz 0.008846 0.024727 -0.014529 -0.029880 -0.001160 0.015222 34O 1px -0.040110 0.047383 0.042623 -0.024224 0.037267 0.028557 34O 1py 0.006634 -0.022374 0.008669 0.017077 0.045213 -0.027533 34O 2pz -0.037612 -0.009494 0.040095 0.047912 0.008819 -0.046612 34O 2px -0.382409 0.013865 0.394135 0.038793 0.088074 -0.036405 34O 2py 0.148609 -0.096673 -0.196882 0.034880 -0.222435 0.065485 34O 3pz -0.038568 0.012595 -0.004071 0.006010 -0.155357 -0.253285 34O 3px -0.505501 0.101412 0.332668 0.111360 0.074820 -0.336150 34O 3py 0.223305 0.014606 0.090027 -0.032510 -0.022321 0.408110 34O 1dz2 -0.008308 0.007813 0.006503 -0.003713 0.016250 0.001668 34O 1dxz -0.000296 -0.017852 -0.015676 0.015578 -0.016866 -0.008572 34O 1dyz 0.008399 -0.011839 0.001840 0.004807 0.001061 0.009585 34O 1dx2y2 0.013902 -0.002896 -0.007205 -0.003989 0.012188 0.012102 34O 1dxy -0.009147 0.037547 0.041431 -0.022361 0.021365 0.011599 34O 2dz2 0.077603 -0.020344 -0.120139 0.003004 -0.012318 0.015551 34O 2dxz -0.014055 0.080961 0.090191 -0.031954 0.023645 0.069491 34O 2dyz -0.012511 -0.026446 0.007713 0.015687 0.000095 -0.046798 34O 2dx2y2 -0.122025 -0.028187 0.114531 0.037926 0.007093 -0.091069 34O 2dxy 0.086236 -0.168184 -0.183953 0.122973 -0.221213 -0.087462 34O 1f0 0.011707 0.015237 0.019383 -0.008875 0.018718 0.043681 34O 1f+1 0.013765 -0.015191 -0.015234 0.014441 -0.024739 -0.009752 34O 1f-1 -0.005223 0.003761 0.014987 0.006590 -0.000220 0.011875 34O 1f+2 0.020125 -0.035307 -0.025767 0.020180 -0.005481 0.018142 34O 1f-2 0.011373 -0.011719 -0.013654 0.004065 0.005429 0.006275 34O 1f+3 0.008674 -0.018784 -0.030710 0.006420 -0.020057 -0.027027 34O 1f-3 0.002140 -0.049058 -0.026517 0.032810 -0.033089 -0.009936 35O 1s 0.004154 0.007159 0.012630 0.006529 -0.003730 -0.006152 35O 2s 0.008638 0.024311 0.037218 0.022931 -0.011023 -0.019234 35O 3s 0.062908 -0.186998 -0.152426 -0.190727 0.031730 0.107993 35O 4s -0.591079 0.346637 -0.160850 0.405445 0.219251 -0.050782 35O 5s -0.403262 -0.532465 -1.246180 -0.406007 -0.306692 1.116766 35O 1pz -0.028576 -0.014742 0.024213 -0.009883 -0.011461 0.028290 35O 1px -0.024441 -0.024466 -0.026527 -0.015918 0.036504 0.032283 35O 1py -0.057114 -0.027754 -0.014011 -0.017692 0.000275 0.036535 35O 2pz 0.002243 -0.054278 -0.139684 -0.097860 0.122427 -0.072432 35O 2px -0.330296 0.008395 -0.440092 -0.000407 0.100788 0.122615 35O 2py -0.015716 0.002125 -0.184186 -0.028779 0.126651 -0.018938 35O 3pz -0.125878 0.068037 0.132700 0.129318 0.086808 -0.337828 35O 3px -0.241814 -0.062804 -0.317040 0.110866 -0.039538 -0.044724 35O 3py -0.245468 0.068648 0.057073 0.067750 0.199018 -0.205924 35O 1dz2 0.000893 -0.004218 -0.002161 -0.010611 0.011926 -0.006152 35O 1dxz 0.020467 0.029797 0.020291 0.029089 -0.024655 -0.008523 35O 1dyz 0.014474 0.003223 0.002414 -0.001992 -0.009927 -0.013749 35O 1dx2y2 0.003582 -0.006497 0.003759 -0.007394 0.006008 0.003645 35O 1dxy 0.017372 0.014577 0.021614 0.010530 -0.005732 -0.005014 35O 2dz2 0.085826 -0.019312 0.111349 -0.030844 -0.010892 0.019158 35O 2dxz -0.086171 -0.122409 -0.145301 -0.136926 0.121683 0.059889 35O 2dyz -0.001588 -0.086537 -0.072664 -0.091147 0.041065 0.056337 35O 2dx2y2 -0.097253 0.045504 -0.123957 0.052480 -0.038070 -0.027072 35O 2dxy -0.081429 -0.032599 -0.133226 -0.055024 0.124960 0.031224 35O 1f0 -0.016844 -0.028660 -0.021056 -0.041020 0.032421 0.006729 35O 1f+1 0.000789 -0.000268 -0.000302 0.007754 -0.016906 -0.003551 35O 1f-1 -0.002016 0.000062 0.007886 -0.011609 -0.000573 -0.045418 35O 1f+2 0.016219 0.030282 0.020188 0.030063 -0.021645 -0.001034 35O 1f-2 -0.017998 0.023986 0.005104 0.022451 -0.016316 -0.002786 35O 1f+3 0.002981 0.031589 0.020741 0.031757 -0.033393 -0.022955 35O 1f-3 0.013326 0.011402 0.027765 0.005407 -0.006260 -0.015258 582 583 584 585 586 587 4.08617 4.12088 4.14108 4.14702 4.16461 4.18945 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s 0.000951 0.000599 -0.006517 0.001330 -0.015296 -0.028403 0Rh 2s -0.009054 -0.005514 0.059457 -0.011995 0.139350 0.257859 0Rh 3s 0.000242 0.000268 -0.003240 0.000745 -0.007766 -0.015017 0Rh 4s 0.050613 0.030789 -0.333370 0.067346 -0.782510 -1.449450 0Rh 5s -0.119242 -0.070810 0.776997 -0.157236 1.829458 3.388331 0Rh 6s 0.125837 0.065866 -0.763727 0.155760 -1.816324 -3.337670 0Rh 7s -0.264045 -0.097301 0.967574 -0.183075 2.140801 4.459085 0Rh 8s 0.076060 -0.063994 0.243044 -0.023376 0.079228 1.080096 0Rh 1pz -0.000161 0.000902 -0.002963 0.003464 -0.001405 -0.005534 0Rh 1px -0.001073 -0.001883 -0.001449 0.001877 -0.005062 0.019451 0Rh 1py 0.002775 0.001434 -0.001660 -0.001432 -0.000673 0.005403 0Rh 2pz 0.000649 -0.003684 0.011109 -0.013443 0.005809 0.021871 0Rh 2px 0.004207 0.007444 0.005655 -0.007373 0.019660 -0.076463 0Rh 2py -0.011443 -0.005196 0.006322 0.005254 0.002586 -0.021215 0Rh 3pz -0.002029 0.011817 -0.013654 0.027782 -0.019575 -0.054250 0Rh 3px -0.009701 -0.018272 -0.011905 0.017052 -0.041230 0.180010 0Rh 3py 0.038490 0.002036 -0.010115 -0.003633 -0.004803 0.049308 0Rh 4pz 0.004275 -0.020003 -0.048872 0.001659 0.032422 0.042590 0Rh 4px 0.003812 0.011577 -0.002122 -0.006452 0.001520 -0.098711 0Rh 4py -0.066800 0.044320 -0.016261 -0.037537 -0.002731 -0.023748 0Rh 5pz -0.013569 0.034449 0.164499 -0.057485 -0.043236 -0.023315 0Rh 5px 0.012753 0.007665 0.034450 -0.018451 0.082598 -0.044208 0Rh 5py 0.097921 -0.126099 0.068838 0.111303 0.020093 -0.021514 0Rh 6pz 0.110246 -0.309505 -0.602850 0.170775 0.047833 0.772323 0Rh 6px -0.085768 0.018700 -0.264612 0.040390 -0.013159 -2.056139 0Rh 6py -0.191140 0.542498 -0.382601 -0.332630 -0.129871 -0.516071 0Rh 1dz2 -0.051155 -0.036474 0.024972 -0.074474 -0.010136 0.003780 0Rh 1dxz 0.009533 0.002789 -0.060236 0.032618 -0.018660 0.032291 0Rh 1dyz -0.108055 -0.127138 -0.023750 -0.113196 0.022621 -0.002511 0Rh 1dx2y2 -0.011185 -0.040041 -0.009201 0.008982 0.038185 -0.021859 0Rh 1dxy -0.072073 0.003531 -0.038796 -0.087916 0.020281 0.005791 0Rh 2dz2 -0.006047 -0.008204 0.002063 -0.013187 -0.003601 0.000193 0Rh 2dxz 0.000923 0.001071 -0.006753 0.003656 -0.004328 0.003344 0Rh 2dyz -0.012737 -0.024839 -0.003933 -0.024297 0.003551 -0.000595 0Rh 2dx2y2 -0.000584 -0.006421 -0.001115 -0.000615 0.009820 -0.002311 0Rh 2dxy -0.011753 -0.003778 -0.004539 -0.014387 0.004451 0.000585 0Rh 3dz2 0.224557 0.179531 -0.105675 0.350932 0.056532 -0.015224 0Rh 3dxz -0.040890 -0.015904 0.264949 -0.143607 0.093494 -0.141292 0Rh 3dyz 0.474253 0.607549 0.110854 0.554330 -0.104759 0.012727 0Rh 3dx2y2 0.045770 0.184561 0.040349 -0.031399 -0.195248 0.095267 0Rh 3dxy 0.331443 0.004688 0.171378 0.408769 -0.100208 -0.025734 0Rh 4dz2 -0.326798 -0.298267 0.138830 -0.557494 -0.106038 0.019203 0Rh 4dxz 0.057472 0.031569 -0.381782 0.208302 -0.162691 0.204235 0Rh 4dyz -0.691573 -0.972961 -0.177205 -0.925480 0.164483 -0.022155 0Rh 4dx2y2 -0.061381 -0.282157 -0.053741 0.026899 0.341572 -0.136454 0Rh 4dxy -0.505871 -0.051874 -0.247360 -0.636989 0.170363 0.038650 0Rh 5dz2 0.377388 0.398825 -0.017136 0.637777 0.209959 -0.023636 0Rh 5dxz -0.054579 -0.077859 0.269152 -0.163525 0.296507 -0.183079 0Rh 5dyz 0.833547 1.137038 0.211740 1.238823 -0.196193 0.036593 0Rh 5dx2y2 0.069806 0.274505 -0.006388 0.060548 -0.591271 0.147017 0Rh 5dxy 0.609485 0.255182 0.161066 0.657312 -0.277132 -0.017092 0Rh 1f0 0.000908 0.015508 -0.010912 0.002686 -0.001227 -0.016273 0Rh 1f+1 -0.004042 -0.010268 -0.010494 -0.001479 -0.005172 0.015288 0Rh 1f-1 0.009640 0.015778 -0.025720 0.001660 -0.001540 0.003976 0Rh 1f+2 0.001945 0.020040 0.024623 -0.007462 -0.000467 0.014768 0Rh 1f-2 -0.000470 -0.007944 -0.000736 -0.027944 -0.000977 0.005176 0Rh 1f+3 -0.006487 -0.009879 0.000096 0.010495 -0.003606 0.024621 0Rh 1f-3 0.025041 0.027446 -0.005189 -0.001669 -0.000522 0.019796 1Rh 1s 0.000810 -0.000685 0.006288 -0.001129 -0.015751 0.028297 1Rh 2s -0.007748 0.006255 -0.057480 0.010213 0.143485 -0.256894 1Rh 3s 0.000184 -0.000333 0.003061 -0.000615 -0.008007 0.014961 1Rh 4s 0.043322 -0.034944 0.322272 -0.057341 -0.805720 1.444018 1Rh 5s -0.102357 0.080342 -0.751487 0.134034 1.883590 -3.375582 1Rh 6s 0.109478 -0.074650 0.740176 -0.133414 -1.869456 3.325011 1Rh 7s -0.243528 0.102359 -0.950867 0.158595 2.209037 -4.444788 1Rh 8s 0.080070 0.068478 -0.236286 0.022781 0.097077 -1.078218 1Rh 1pz 0.000162 0.000884 -0.003030 0.003466 0.001514 -0.005511 1Rh 1px 0.001054 -0.001834 -0.001301 0.001811 0.004955 0.019478 1Rh 1py -0.002706 0.001523 -0.001628 -0.001448 0.000602 0.005335 1Rh 2pz -0.000655 -0.003616 0.011364 -0.013449 -0.006227 0.021777 1Rh 2px -0.004120 0.007255 0.005091 -0.007126 -0.019243 -0.076565 1Rh 2py 0.011182 -0.005547 0.006200 0.005325 -0.002308 -0.020947 1Rh 3pz 0.002027 0.011682 -0.014113 0.027745 0.020287 -0.054034 1Rh 3px 0.009181 -0.017973 -0.010954 0.016655 0.040302 0.180163 1Rh 3py -0.038099 0.002899 -0.009979 -0.003932 0.004215 0.048600 1Rh 4pz -0.004111 -0.020013 -0.049212 0.001819 -0.031592 0.042621 1Rh 4px -0.002318 0.012014 -0.001128 -0.006963 -0.001098 -0.098404 1Rh 4py 0.067452 0.043769 -0.015711 -0.036802 0.002768 -0.023144 1Rh 5pz 0.012831 0.034705 0.166429 -0.057545 0.039609 -0.024032 1Rh 5px -0.014923 0.005896 0.030199 -0.016518 -0.082676 -0.045381 1Rh 5py -0.100086 -0.126574 0.067143 0.109784 -0.019177 -0.021589 1Rh 6pz -0.109864 -0.312302 -0.611707 0.168178 -0.040469 0.761878 1Rh 6px 0.079617 0.021444 -0.260864 0.040476 0.039461 -2.059125 1Rh 6py 0.199848 0.545163 -0.379535 -0.327316 0.132765 -0.510504 1Rh 1dz2 -0.051891 0.036645 -0.025858 0.073632 -0.009088 -0.002709 1Rh 1dxz 0.008602 -0.003012 0.060983 -0.032391 -0.019660 -0.032599 1Rh 1dyz -0.109359 0.128120 0.021602 0.111955 0.022733 0.005548 1Rh 1dx2y2 -0.009958 0.040073 0.008760 -0.008838 0.037449 0.022390 1Rh 1dxy -0.073432 -0.003523 0.037585 0.086673 0.020842 -0.004616 1Rh 2dz2 -0.006213 0.008226 -0.002219 0.013091 -0.003464 -0.000013 1Rh 2dxz 0.000768 -0.001105 0.006829 -0.003614 -0.004425 -0.003402 1Rh 2dyz -0.013009 0.024960 0.003624 0.024146 0.003609 0.001138 1Rh 2dx2y2 -0.000409 0.006436 0.001092 0.000608 0.009738 0.002458 1Rh 2dxy -0.011938 0.003807 0.004354 0.014175 0.004525 -0.000381 1Rh 3dz2 0.228163 -0.180287 0.109851 -0.347210 0.051826 0.010182 1Rh 3dxz -0.036581 0.016930 -0.268180 0.142522 0.097845 0.142768 1Rh 3dyz 0.480526 -0.611894 -0.101073 -0.548790 -0.105470 -0.027178 1Rh 3dx2y2 0.040229 -0.184758 -0.038551 0.030892 -0.192027 -0.098029 1Rh 3dxy 0.337503 -0.004853 -0.165827 -0.402938 -0.102743 0.020175 1Rh 4dz2 -0.332816 0.299360 -0.145630 0.552020 -0.099123 -0.011046 1Rh 4dxz 0.050746 -0.033197 0.386262 -0.206452 -0.168926 -0.206657 1Rh 4dyz -0.701684 0.979358 0.162093 0.917105 0.165958 0.045730 1Rh 4dx2y2 -0.052877 0.282620 0.051559 -0.026544 0.337065 0.141337 1Rh 4dxy -0.514524 0.052363 0.238867 0.627712 0.174209 -0.029595 1Rh 5dz2 0.386750 -0.399877 0.028003 -0.632414 0.204819 0.013262 1Rh 5dxz -0.045337 0.080288 -0.271100 0.159883 0.300158 0.186472 1Rh 5dyz 0.846033 -1.144111 -0.192061 -1.228070 -0.199229 -0.068166 1Rh 5dx2y2 0.057704 -0.276486 0.005053 -0.057658 -0.588684 -0.155345 1Rh 5dxy 0.614280 -0.257062 -0.151855 -0.644880 -0.280528 0.004840 1Rh 1f0 -0.001152 0.015567 -0.010835 0.002861 0.001464 -0.016271 1Rh 1f+1 0.004442 -0.010334 -0.010272 -0.001399 0.005107 0.015374 1Rh 1f-1 -0.009611 0.015826 -0.025779 0.001585 0.001886 0.003836 1Rh 1f+2 -0.001748 0.020077 0.024635 -0.007468 -0.000531 0.014749 1Rh 1f-2 0.001054 -0.007877 -0.000733 -0.028003 0.000531 0.005403 1Rh 1f+3 0.006641 -0.009861 0.000135 0.010597 0.003528 0.024596 1Rh 1f-3 -0.024656 0.027417 -0.005390 -0.002122 0.000071 0.019616 2C 1s 0.003510 0.002563 -0.016635 -0.000813 -0.009646 0.001482 2C 2s 0.010836 0.006891 -0.045861 -0.003333 -0.029246 0.004989 2C 3s -0.222968 -0.053449 0.312153 0.049598 0.394864 -0.069922 2C 4s 1.072718 -0.000937 0.158890 -0.133243 -0.947585 0.091176 2C 5s 0.140570 0.675816 -1.138975 0.168308 -0.489982 0.581694 2C 1pz -0.065493 -0.051844 0.228304 0.026067 0.177672 -0.043662 2C 1px -0.008620 -0.022341 0.050454 -0.002327 0.046475 -0.009960 2C 1py -0.050700 -0.023138 0.163970 0.000299 0.121405 -0.032816 2C 2pz 0.816724 0.169847 -0.694824 -0.178835 -1.160503 0.208483 2C 2px -0.160369 0.384641 -0.308908 0.197529 -0.309153 -0.257064 2C 2py 0.360062 -0.035569 -0.238031 0.146458 -0.625936 -0.027107 2C 3pz 0.047194 0.154942 -0.176058 0.005708 -0.114914 0.128098 2C 3px 0.201333 -0.014054 -0.119675 -0.082139 -0.002130 -0.008930 2C 3py 0.054576 0.055676 -0.211932 0.025045 -0.132583 0.075000 2C 1dz2 0.012551 -0.019519 0.033366 0.023186 -0.003936 -0.038466 2C 1dxz -0.055156 -0.068368 0.187696 0.020209 0.063269 0.033964 2C 1dyz -0.031096 0.028531 0.064207 0.035928 0.001104 -0.033350 2C 1dx2y2 -0.063439 0.019409 0.008604 0.039211 0.028472 -0.032410 2C 1dxy -0.015405 0.004685 0.045676 -0.002616 0.012108 0.041331 2C 2dz2 0.108395 0.095474 -0.187600 -0.099586 -0.301539 0.046333 2C 2dxz 0.183301 0.036552 -0.133192 -0.036561 -0.154901 0.061388 2C 2dyz 0.182691 0.096358 -0.530620 0.039725 -0.576811 -0.005942 2C 2dx2y2 -0.176848 0.080802 0.100569 0.018692 0.130446 -0.159788 2C 2dxy 0.169402 0.105019 -0.319077 -0.036728 -0.245235 0.063416 2C 1f0 -0.069521 0.002234 0.112993 -0.034767 0.057008 -0.058977 2C 1f+1 -0.180577 0.022425 0.184079 0.040119 0.080693 -0.062280 2C 1f-1 0.181135 0.040274 -0.342996 -0.064672 -0.259377 0.108018 2C 1f+2 0.034280 0.017986 -0.007074 -0.009780 0.010220 0.026500 2C 1f-2 -0.120432 -0.022234 0.227849 0.021379 0.095908 -0.034558 2C 1f+3 -0.055399 0.051308 -0.123372 0.033622 -0.102506 -0.008002 2C 1f-3 -0.104870 -0.005218 0.024871 0.029751 0.015409 -0.044615 3C 1s -0.004609 -0.012566 -0.002561 0.011154 -0.012282 -0.000862 3C 2s -0.013982 -0.034699 -0.007500 0.031620 -0.036910 -0.001720 3C 3s 0.234656 0.269495 0.073852 -0.212941 0.434644 -0.032447 3C 4s -0.987618 -0.082236 -0.076713 -0.195121 -0.775965 0.227939 3C 5s -0.276312 -0.927735 -0.413968 0.745083 -0.302412 0.251901 3C 1pz 0.060020 0.114140 0.013779 -0.100705 0.123772 -0.003451 3C 1px 0.033923 0.085925 0.018815 -0.055965 0.093149 -0.004754 3C 1py -0.079644 -0.181917 -0.058580 0.155669 -0.219256 0.008114 3C 2pz -0.421535 -0.052056 0.183722 0.054551 -0.459552 0.126030 3C 2px 0.256314 -0.408056 -0.068936 -0.118608 -0.432975 -0.340497 3C 2py 0.848865 0.688540 0.314221 -0.506115 1.335371 -0.126747 3C 3pz 0.028111 -0.164581 -0.013968 0.085075 -0.122812 0.042508 3C 3px -0.267852 -0.051858 -0.063159 0.168460 -0.024977 -0.026943 3C 3py 0.095431 0.148725 0.099676 -0.124133 0.016355 -0.082723 3C 1dz2 -0.021592 -0.035725 -0.020865 0.035321 -0.028742 -0.013074 3C 1dxz -0.085122 0.033140 0.000602 0.021306 -0.021701 0.076797 3C 1dyz 0.006688 0.033588 0.043316 -0.005119 0.045736 0.048577 3C 1dx2y2 -0.024299 -0.088390 -0.039556 0.070589 -0.030117 0.037055 3C 1dxy -0.105156 -0.110454 -0.054533 0.123202 -0.070070 -0.034964 3C 2dz2 0.136418 0.178967 0.172783 -0.143557 0.244525 -0.018718 3C 2dxz -0.334607 -0.173598 -0.003188 0.201302 -0.258094 0.164471 3C 2dyz 0.152152 0.444687 0.082564 -0.318655 0.658217 0.069504 3C 2dx2y2 0.094931 0.050382 0.050718 -0.068735 0.227835 -0.050101 3C 2dxy 0.184071 0.263652 0.064946 -0.147959 0.362566 0.042779 3C 1f0 0.069728 0.191044 0.052666 -0.162834 0.243789 0.003366 3C 1f+1 0.134408 0.066298 0.036255 -0.061105 0.072806 -0.051007 3C 1f-1 0.214628 0.279342 0.027600 -0.260788 0.266874 -0.019872 3C 1f+2 0.178583 0.055330 0.017517 -0.122585 0.100286 -0.054707 3C 1f-2 -0.134356 -0.047087 -0.018965 0.085697 -0.032253 0.040021 3C 1f+3 0.033688 -0.025941 -0.020484 0.014648 -0.076696 0.019859 3C 1f-3 -0.076300 -0.021922 0.027844 -0.011467 0.018900 0.057535 4C 1s -0.008919 0.001559 -0.007970 0.000363 -0.004486 0.001432 4C 2s -0.019405 0.003932 -0.023346 -0.000835 -0.008009 0.003835 4C 3s -0.041457 -0.144657 0.822588 0.149963 0.033636 -0.145302 4C 4s 0.766968 0.458328 -2.430631 -0.648513 0.766113 0.450723 4C 5s -0.070939 -0.067242 -0.460305 -0.184525 0.043968 -0.191043 4C 1pz -0.045911 -0.009554 -0.072549 -0.038403 -0.040030 0.029020 4C 1px -0.012476 0.090680 -0.020036 0.083458 -0.004503 -0.064051 4C 1py -0.029243 0.016911 -0.051597 0.017464 -0.022954 -0.004432 4C 2pz 1.235464 0.483685 -1.154603 0.152111 -1.133937 0.476471 4C 2px 0.087193 -0.686863 -0.737669 -1.052198 -0.290951 -0.633012 4C 2py 0.735745 0.119575 -0.896379 -0.393887 -0.760018 0.027353 4C 3pz 0.360002 0.347311 -0.603949 0.097739 0.102724 0.364487 4C 3px 0.049211 -0.169454 -0.229397 -0.200508 -0.010294 -0.212223 4C 3py 0.255888 0.300218 -0.390660 -0.152682 0.094567 0.135347 4C 1dz2 -0.000886 -0.042657 0.202334 0.053673 0.110924 0.023715 4C 1dxz -0.142521 -0.093180 0.220098 -0.014339 0.126158 -0.160825 4C 1dyz 0.090594 -0.029015 0.151642 -0.016612 0.119194 -0.037619 4C 1dx2y2 0.111147 0.027367 -0.215932 -0.016982 -0.095609 0.028073 4C 1dxy 0.045819 -0.029722 -0.026216 -0.048765 0.021376 -0.085308 4C 2dz2 -0.278181 0.101407 0.058462 0.045571 0.180138 0.111320 4C 2dxz -0.134426 0.014736 -0.179063 -0.116151 -0.001493 -0.184197 4C 2dyz -0.229927 0.028008 -0.436677 0.017336 0.115126 0.116512 4C 2dx2y2 0.278679 0.116311 -0.235277 -0.162601 -0.138225 0.043065 4C 2dxy -0.028068 0.048702 -0.429304 -0.151855 -0.099248 -0.088497 4C 1f0 -0.229577 -0.093289 0.285075 0.052361 0.137883 -0.056875 4C 1f+1 -0.044342 -0.092649 0.306353 0.059273 0.157362 -0.054063 4C 1f-1 0.001268 0.026576 0.086631 0.062505 -0.002250 0.013332 4C 1f+2 0.289722 0.112060 -0.457397 0.030359 -0.219882 0.123041 4C 1f-2 0.149096 0.005068 -0.202679 -0.064421 -0.113324 0.005708 4C 1f+3 0.111040 0.064446 -0.096319 0.046124 -0.069160 0.051024 4C 1f-3 -0.182744 -0.006756 0.448888 0.122060 0.216141 -0.049441 5C 1s 0.007764 -0.006400 -0.001658 0.007015 -0.010206 -0.001594 5C 2s 0.015708 -0.018587 -0.004623 0.019806 -0.021194 -0.003196 5C 3s 0.107624 0.615038 0.168542 -0.562266 0.217010 -0.026561 5C 4s -0.887145 -1.799009 -0.542125 1.538694 0.468591 0.209136 5C 5s 0.028387 -0.421436 -0.034937 0.257528 -0.193305 -0.071382 5C 1pz 0.013684 -0.003238 0.009643 0.069617 -0.028227 0.015872 5C 1px 0.028005 -0.086243 -0.026985 -0.062806 -0.013725 -0.077180 5C 1py -0.028965 0.026383 0.016216 -0.087853 0.049550 -0.004595 5C 2pz -0.775968 -0.844902 -0.297595 0.029648 -0.721327 0.351509 5C 2px -0.126597 0.319676 -0.071394 1.376938 -0.539473 -0.710146 5C 2py 1.252868 1.299229 0.287305 -0.520328 1.324761 -0.285921 5C 3pz -0.317123 -0.296385 -0.268927 0.157389 0.297627 0.197162 5C 3px -0.127668 0.028051 -0.137603 0.412692 0.181100 -0.132104 5C 3py 0.491056 0.514569 0.152562 -0.407435 -0.436444 -0.177545 5C 1dz2 0.056034 -0.012043 -0.021251 -0.013318 -0.041091 0.032801 5C 1dxz 0.092838 0.154901 0.018787 -0.090952 0.109952 -0.053669 5C 1dyz 0.136856 -0.009345 -0.006022 0.081109 -0.121347 -0.065485 5C 1dx2y2 -0.112901 -0.191557 -0.094766 0.232264 -0.192262 -0.060733 5C 1dxy -0.085636 -0.204706 -0.030630 0.102128 -0.168569 0.109921 5C 2dz2 0.023509 0.199973 0.174888 -0.238640 0.098767 0.065477 5C 2dxz 0.214018 0.078318 0.083432 0.089764 0.048197 -0.201105 5C 2dyz -0.106781 0.284171 0.010645 -0.247198 -0.002614 -0.110570 5C 2dx2y2 -0.254363 -0.141068 0.041168 0.123059 -0.200707 -0.058418 5C 2dxy -0.205067 0.117830 0.024555 -0.370572 0.076619 0.261693 5C 1f0 0.180059 0.216064 0.059323 -0.064487 0.167400 -0.049410 5C 1f+1 0.144493 0.218541 0.030213 -0.287421 0.225048 0.002859 5C 1f-1 -0.126664 -0.121765 0.008326 0.146001 -0.108097 -0.016734 5C 1f+2 -0.161203 -0.090856 -0.015113 0.055915 -0.024420 0.017630 5C 1f-2 -0.135687 -0.299472 -0.048777 0.089578 -0.158039 0.072905 5C 1f+3 -0.039414 0.128718 0.046756 -0.178830 0.113394 0.006092 5C 1f-3 -0.372673 -0.419559 -0.148741 0.348529 -0.344014 0.023056 6C 1s 0.008022 0.006154 0.001593 -0.006695 -0.010320 0.001150 6C 2s 0.016370 0.017998 0.004466 -0.019134 -0.021521 0.002189 6C 3s 0.101390 -0.611835 -0.167684 0.561310 0.230486 0.041678 6C 4s -0.885226 1.808829 0.553838 -1.563535 0.426717 -0.232708 6C 5s 0.041588 0.407792 0.035836 -0.245324 -0.197817 0.050193 6C 1pz -0.015168 -0.002599 0.009821 0.069454 0.028539 0.015828 6C 1px -0.026829 -0.085805 -0.026960 -0.063425 0.014625 -0.076722 6C 1py 0.030537 0.025315 0.015865 -0.087320 -0.050655 -0.004636 6C 2pz 0.777134 -0.842636 -0.280319 0.029418 0.729070 0.366631 6C 2px 0.115104 0.318288 -0.063678 1.362854 0.567191 -0.682101 6C 2py -1.245704 1.293498 0.256378 -0.513910 -1.342043 -0.319134 6C 3pz 0.319077 -0.299049 -0.265957 0.159224 -0.293223 0.192889 6C 3px 0.124678 0.026471 -0.136881 0.413305 -0.172395 -0.140977 6C 3py -0.489884 0.518615 0.145795 -0.409141 0.432050 -0.169007 6C 1dz2 0.057275 0.010234 0.021118 0.015511 -0.040093 -0.034522 6C 1dxz 0.092005 -0.155359 -0.016689 0.091770 0.112705 0.055710 6C 1dyz 0.138548 0.006868 0.005774 -0.077286 -0.122720 0.061278 6C 1dx2y2 -0.110604 0.189136 0.090682 -0.230229 -0.197847 0.055500 6C 1dxy -0.083136 0.203951 0.027625 -0.101539 -0.170963 -0.113783 6C 2dz2 0.024039 -0.200239 -0.176087 0.238226 0.107511 -0.057653 6C 2dxz 0.216113 -0.078242 -0.081978 -0.087682 0.045577 0.199611 6C 2dyz -0.110296 -0.280749 -0.013599 0.247329 -0.000011 0.114368 6C 2dx2y2 -0.254448 0.144775 -0.044880 -0.122250 -0.205537 0.050651 6C 2dxy -0.208753 -0.119596 -0.025599 0.367696 0.088041 -0.253436 6C 1f0 -0.180610 0.215582 0.055857 -0.064571 -0.170274 -0.054489 6C 1f+1 -0.140882 0.217968 0.025685 -0.284859 -0.231184 -0.004702 6C 1f-1 0.124030 -0.120445 0.011453 0.144751 0.110131 -0.012852 6C 1f+2 0.162467 -0.092755 -0.013599 0.059293 0.027002 0.018230 6C 1f-2 0.132857 -0.296680 -0.044884 0.088540 0.159883 0.076154 6C 1f+3 0.042541 0.126066 0.045962 -0.175541 -0.116794 0.001695 6C 1f-3 0.371777 -0.420545 -0.141941 0.349758 0.355213 0.033855 7C 1s -0.009156 -0.001525 0.007428 -0.000334 -0.004492 -0.001039 7C 2s -0.020050 -0.003846 0.022120 0.000929 -0.008081 -0.002925 7C 3s -0.031000 0.145092 -0.815017 -0.153042 0.045240 0.132974 7C 4s 0.746885 -0.458685 2.450744 0.651966 0.722782 -0.426441 7C 5s -0.078194 0.071215 0.443845 0.181735 0.038717 0.215751 7C 1pz 0.048055 -0.009598 -0.070741 -0.038712 0.040164 0.028799 7C 1px 0.012192 0.090912 -0.019727 0.083352 0.005893 -0.063604 7C 1py 0.030722 0.016900 -0.050998 0.017100 0.023907 -0.004292 7C 2pz -1.228449 0.489532 -1.133461 0.133034 1.147357 0.461845 7C 2px -0.070389 -0.680091 -0.731168 -1.055410 0.303993 -0.625157 7C 2py -0.731917 0.128089 -0.890287 -0.406113 0.777884 0.024535 7C 3pz -0.356599 0.351950 -0.611880 0.105271 -0.092498 0.377670 7C 3px -0.043479 -0.170294 -0.231982 -0.200402 0.016671 -0.215387 7C 3py -0.250631 0.302384 -0.398949 -0.147768 -0.087897 0.141819 7C 1dz2 0.004104 0.042670 -0.195091 -0.054906 0.111529 -0.025751 7C 1dxz -0.140625 0.094104 -0.217522 0.011641 0.127628 0.158267 7C 1dyz 0.093043 0.029591 -0.146661 0.015751 0.121639 0.034334 7C 1dx2y2 0.110248 -0.028977 0.217542 0.019376 -0.100747 -0.028661 7C 1dxy 0.044309 0.029639 0.027286 0.048857 0.020586 0.084149 7C 2dz2 -0.281200 -0.098474 -0.063390 -0.047818 0.184980 -0.106291 7C 2dxz -0.136798 -0.017705 0.178738 0.117164 -0.006551 0.182373 7C 2dyz -0.237487 -0.027766 0.431458 -0.017567 0.109701 -0.108179 7C 2dx2y2 0.277917 -0.117646 0.235408 0.164293 -0.142511 -0.042857 7C 2dxy -0.029432 -0.051895 0.430336 0.152756 -0.110243 0.088086 7C 1f0 0.229058 -0.095821 0.287489 0.056171 -0.144414 -0.056125 7C 1f+1 0.042105 -0.093500 0.302363 0.061150 -0.161327 -0.050688 7C 1f-1 -0.002282 0.025241 0.088078 0.063470 0.000326 0.011889 7C 1f+2 -0.283586 0.112917 -0.449533 0.025294 0.224241 0.117944 7C 1f-2 -0.147730 0.006286 -0.201458 -0.066608 0.116416 0.005035 7C 1f+3 -0.114086 0.065870 -0.100147 0.044527 0.073370 0.050713 7C 1f-3 0.177739 -0.009245 0.444920 0.125417 -0.223254 -0.046430 8C 1s -0.004426 0.012434 0.002354 -0.011003 -0.012545 0.000550 8C 2s -0.013433 0.034293 0.006848 -0.031176 -0.037634 0.000799 8C 3s 0.229438 -0.265613 -0.063886 0.208153 0.439530 0.041743 8C 4s -0.985430 0.080939 0.048206 0.199659 -0.772910 -0.236592 8C 5s -0.272900 0.931264 0.403259 -0.735040 -0.318745 -0.260801 8C 1pz -0.057798 0.112801 0.011138 -0.099137 -0.125759 -0.006536 8C 1px -0.032691 0.085152 0.017112 -0.055017 -0.094863 -0.006875 8C 1py 0.076928 -0.179795 -0.054588 0.153083 0.222944 0.013568 8C 2pz 0.418642 -0.054989 0.194460 0.054973 0.459359 0.131348 8C 2px -0.257247 -0.406945 -0.064461 -0.129420 0.443644 -0.329937 8C 2py -0.839757 0.676400 0.284855 -0.489322 -1.345727 -0.155713 8C 3pz -0.029793 -0.163113 -0.011776 0.081433 0.123127 0.044223 8C 3px 0.270997 -0.053314 -0.059178 0.171748 0.026792 -0.026354 8C 3py -0.094410 0.150202 0.096728 -0.124006 -0.020351 -0.081174 8C 1dz2 -0.023073 0.035230 0.020295 -0.035918 -0.030190 0.011258 8C 1dxz -0.084173 -0.033338 -0.001178 -0.021735 -0.020449 -0.076928 8C 1dyz 0.006083 -0.032430 -0.041894 0.002231 0.046386 -0.047221 8C 1dx2y2 -0.020261 0.085312 0.037844 -0.067906 -0.029656 -0.037452 8C 1dxy -0.104459 0.111180 0.052945 -0.123874 -0.074192 0.033089 8C 2dz2 0.132719 -0.176702 -0.168667 0.140020 0.249257 0.022261 8C 2dxz -0.332927 0.174454 -0.002708 -0.203945 -0.260983 -0.168551 8C 2dyz 0.140826 -0.435540 -0.070200 0.305033 0.664037 -0.054613 8C 2dx2y2 0.095651 -0.049693 -0.047397 0.068338 0.230572 0.055017 8C 2dxy 0.184809 -0.262649 -0.057567 0.146643 0.368975 -0.034167 8C 1f0 -0.070437 0.190860 0.049238 -0.162218 -0.249995 -0.003840 8C 1f+1 -0.135258 0.065424 0.034205 -0.061760 -0.072344 -0.052654 8C 1f-1 -0.208227 0.274946 0.020942 -0.256085 -0.269554 -0.027124 8C 1f+2 -0.178561 0.057875 0.014721 -0.125872 -0.104271 -0.057340 8C 1f-2 0.136469 -0.053008 -0.019071 0.090359 0.038295 0.040823 8C 1f+3 -0.037254 -0.024584 -0.019593 0.012736 0.076894 0.019427 8C 1f-3 0.076927 -0.022608 0.028667 -0.009292 -0.019307 0.057049 9C 1s 0.003302 -0.002662 0.016340 0.000990 -0.009868 -0.001263 9C 2s 0.010225 -0.007140 0.044973 0.003864 -0.029819 -0.004429 9C 3s -0.218556 0.055264 -0.303276 -0.055561 0.397560 0.068805 9C 4s 1.077185 -0.002365 -0.164064 0.145789 -0.942041 -0.108383 9C 5s 0.130255 -0.683946 1.131631 -0.174763 -0.507934 -0.588365 9C 1pz 0.062222 -0.052925 0.222925 0.028654 -0.179660 -0.041650 9C 1px 0.007968 -0.022463 0.049119 -0.001793 -0.046993 -0.009111 9C 1py 0.048347 -0.023981 0.160925 0.002150 -0.124130 -0.031332 9C 2pz -0.804865 0.175686 -0.660261 -0.193591 1.158081 0.198478 9C 2px 0.162340 0.387818 -0.299041 0.195233 0.317096 -0.261783 9C 2py -0.367635 -0.027198 -0.247192 0.136305 0.644367 -0.023164 9C 3pz -0.043874 0.156485 -0.176692 0.006305 0.118848 0.132209 9C 3px -0.200052 -0.013161 -0.121973 -0.083792 0.003703 -0.006334 9C 3py -0.055131 0.057868 -0.209146 0.025063 0.133744 0.077692 9C 1dz2 0.014934 0.018180 -0.028873 -0.022899 -0.006042 0.037630 9C 1dxz -0.049970 0.069592 -0.182996 -0.020463 0.065392 -0.036540 9C 1dyz -0.030541 -0.027584 -0.067114 -0.037002 0.002590 0.034199 9C 1dx2y2 -0.061813 -0.019103 -0.005902 -0.039447 0.027018 0.030747 9C 1dxy -0.019093 -0.004776 -0.051166 0.000051 0.016181 -0.038395 9C 2dz2 0.102650 -0.097946 0.179067 0.103171 -0.299626 -0.044163 9C 2dxz 0.185607 -0.037779 0.137899 0.041528 -0.158654 -0.066489 9C 2dyz 0.177349 -0.099311 0.514210 -0.031839 -0.585163 0.012383 9C 2dx2y2 -0.176738 -0.078077 -0.100279 -0.021921 0.132624 0.158557 9C 2dxy 0.159197 -0.107744 0.306660 0.037935 -0.245253 -0.051070 9C 1f0 0.064427 0.003008 0.104644 -0.034455 -0.055681 -0.054081 9C 1f+1 0.182408 0.020847 0.188248 0.043365 -0.085901 -0.064373 9C 1f-1 -0.175527 0.042873 -0.337914 -0.069145 0.263704 0.104128 9C 1f+2 -0.036592 0.021092 -0.016760 -0.009210 -0.005577 0.026131 9C 1f-2 0.116305 -0.023441 0.221945 0.023234 -0.097392 -0.029959 9C 1f+3 0.054292 0.051231 -0.118151 0.031892 0.103431 -0.008327 9C 1f-3 0.107058 -0.003847 0.023211 0.032315 -0.012308 -0.046147 10H 1s 0.140533 0.025200 -0.169762 -0.008633 -0.121728 0.097774 10H 2s 0.242746 -0.222158 -0.028451 -0.165502 -0.050427 0.237568 10H 3s -0.133079 0.038693 0.138335 0.075183 0.025055 -0.103118 10H 1pz -0.027081 -0.058255 0.060175 -0.020307 0.016395 0.038043 10H 1px -0.157691 0.059049 0.081882 0.054030 0.078260 -0.101302 10H 1py -0.061308 -0.036323 0.070390 -0.003112 0.034854 -0.005077 11H 1s -0.002066 0.068994 -0.171980 0.025111 -0.110124 0.021457 11H 2s 0.000268 0.185181 -0.442246 -0.012122 -0.240075 -0.107966 11H 3s 0.111442 -0.120794 0.190394 -0.063339 0.146314 -0.029504 11H 1pz 0.053794 0.087256 -0.246581 -0.022083 -0.127523 0.011501 11H 1px -0.036974 0.069916 -0.112478 0.015334 -0.068626 -0.040742 11H 1py 0.009829 -0.015231 0.000804 -0.017095 0.008358 0.017107 12H 1s -0.071840 0.042328 -0.052378 0.036248 -0.052895 -0.029161 12H 2s -0.172354 0.023214 -0.060335 0.153683 -0.010401 -0.277986 12H 3s 0.105514 -0.103761 0.068087 -0.097149 0.042408 -0.000455 12H 1pz 0.052198 0.002289 -0.093354 -0.015877 -0.034050 0.038530 12H 1px -0.077724 0.010802 0.000316 0.039966 -0.006172 -0.064539 12H 1py -0.050449 0.021602 -0.063563 0.070744 -0.033126 -0.079384 13H 1s -0.175413 -0.124903 -0.029223 0.108673 -0.141185 0.073283 13H 2s -0.341881 0.118837 0.101008 0.187385 -0.055608 0.268411 13H 3s 0.184471 0.013152 0.024154 -0.174252 0.024743 -0.067233 13H 1pz -0.054038 0.059174 0.039292 0.031278 -0.009822 0.062438 13H 1px 0.191327 0.038312 -0.006380 -0.094082 0.090661 -0.089463 13H 1py -0.034062 -0.067318 -0.029036 0.010982 -0.020894 -0.031095 14H 1s 0.097060 -0.048440 -0.012070 -0.001819 -0.058118 -0.056224 14H 2s 0.357677 -0.022118 0.078344 -0.143011 0.034730 -0.328421 14H 3s -0.179709 0.111805 0.008752 0.042871 0.039957 0.039787 14H 1pz 0.033830 -0.037492 0.015472 -0.006343 -0.016894 -0.050913 14H 1px 0.178014 -0.012424 0.028223 -0.061572 -0.009269 -0.126720 14H 1py 0.041049 0.043270 0.005730 -0.060393 0.037292 -0.012168 15H 1s -0.023799 -0.172995 -0.054427 0.116179 -0.173587 -0.011560 15H 2s -0.098499 -0.399240 -0.191776 0.340135 -0.401177 -0.138792 15H 3s -0.083517 0.212890 0.070574 -0.112081 0.234335 0.010421 15H 1pz -0.022520 0.045441 0.024997 -0.016753 0.055641 0.035271 15H 1px 0.023827 -0.059478 -0.031221 0.032006 -0.054044 -0.034301 15H 1py 0.099865 0.229948 0.105187 -0.200353 0.213586 0.028516 16H 1s 0.156822 0.109256 -0.038874 0.174755 0.006620 -0.047963 16H 2s 0.033439 0.203337 0.022955 0.211984 0.082665 0.277628 16H 3s -0.055031 -0.007589 -0.044287 0.012433 -0.025503 -0.042175 16H 1pz 0.107167 0.133664 -0.011300 0.178226 0.036531 0.061103 16H 1px -0.000830 -0.017708 0.007088 -0.031417 -0.001830 -0.056745 16H 1py 0.084290 0.060290 -0.011172 0.113498 0.009522 0.006184 17H 1s -0.146280 -0.125445 0.013044 -0.155315 0.003714 -0.083950 17H 2s -0.239802 -0.140152 0.112776 -0.311335 0.060624 0.209919 17H 3s 0.048339 0.020801 -0.034915 0.002644 -0.035995 -0.045766 17H 1pz 0.104917 0.082572 -0.010306 0.109449 -0.026579 0.008177 17H 1px 0.124844 0.089875 -0.038883 0.151605 -0.007643 -0.046589 17H 1py -0.101769 -0.098611 0.028793 -0.120535 0.010253 -0.016964 18H 1s -0.143225 0.125845 -0.016201 0.151956 0.003149 0.086245 18H 2s -0.239732 0.138728 -0.120638 0.304295 0.065807 -0.203430 18H 3s 0.046067 -0.021639 0.034254 -0.002451 -0.036849 0.044993 18H 1pz -0.106817 0.085591 -0.013538 0.111105 0.027171 0.010493 18H 1px -0.123973 0.090161 -0.042688 0.148536 0.009072 -0.043868 18H 1py 0.095998 -0.095334 0.030545 -0.113320 -0.009821 -0.019409 19H 1s 0.156151 -0.109775 0.042285 -0.171035 0.004457 0.045881 19H 2s 0.027186 -0.206857 -0.021737 -0.206982 0.085979 -0.283127 19H 3s -0.055575 0.006750 0.043262 -0.012732 -0.027583 0.041984 19H 1pz -0.102479 0.133049 -0.013852 0.170988 -0.036009 0.063585 19H 1px 0.000852 -0.019547 0.007583 -0.032654 0.002489 -0.057806 19H 1py -0.086306 0.064300 -0.013013 0.115946 -0.009709 0.009062 20H 1s -0.020324 0.169905 0.051249 -0.111563 -0.175867 0.006336 20H 2s -0.089678 0.389636 0.184609 -0.327865 -0.407456 0.128946 20H 3s -0.087118 -0.209644 -0.069210 0.104259 0.236089 -0.003250 20H 1pz 0.023825 0.043811 0.024258 -0.013756 -0.056074 0.033738 20H 1px -0.025015 -0.058826 -0.031100 0.030616 0.056260 -0.032921 20H 1py -0.096208 0.225589 0.100700 -0.195315 -0.217219 0.022714 21H 1s 0.097023 0.047962 0.012496 0.004265 -0.059714 0.054051 21H 2s 0.354152 0.023834 -0.073811 0.144414 0.029993 0.328120 21H 3s -0.180608 -0.111963 -0.010567 -0.045763 0.042990 -0.037070 21H 1pz -0.033445 -0.038843 0.015159 -0.005929 0.018787 -0.051245 21H 1px -0.176294 -0.012790 0.026257 -0.063051 0.010920 -0.125422 21H 1py -0.041388 0.044324 0.005079 -0.061668 -0.039193 -0.013263 22H 1s -0.175826 0.125893 0.026077 -0.110260 -0.143875 -0.076170 22H 2s -0.342127 -0.117060 -0.102419 -0.194735 -0.052828 -0.267649 22H 3s 0.185356 -0.014729 -0.022572 0.176843 0.025970 0.068899 22H 1pz 0.053141 0.058880 0.038989 0.032183 0.008112 0.061466 22H 1px -0.192035 0.039589 -0.008684 -0.096904 -0.091969 -0.091459 22H 1py 0.033927 -0.068384 -0.028129 0.010660 0.022843 -0.030551 23H 1s -0.070554 -0.043606 0.053731 -0.036152 -0.056059 0.027951 23H 2s -0.164327 -0.024736 0.073518 -0.149675 -0.023634 0.274173 23H 3s 0.105259 0.103258 -0.069556 0.096884 0.047864 -0.000464 23H 1pz -0.051791 0.002654 -0.093371 -0.017171 0.035684 0.037735 23H 1px 0.075132 0.010881 -0.000910 0.039100 0.008217 -0.063138 23H 1py 0.047566 0.023036 -0.069735 0.069088 0.039437 -0.078483 24H 1s -0.006189 -0.069119 0.162559 -0.025108 -0.110406 -0.016105 24H 2s -0.013194 -0.187300 0.417188 0.012683 -0.238786 0.125667 24H 3s 0.114623 0.122171 -0.179405 0.065636 0.145828 0.023671 24H 1pz -0.048029 0.087848 -0.236037 -0.023016 0.127515 0.005614 24H 1px 0.040868 0.070955 -0.105988 0.015758 0.069372 -0.046064 24H 1py -0.010100 -0.014647 -0.003926 -0.017670 -0.006591 0.019050 25H 1s 0.139345 -0.026695 0.168567 0.010784 -0.123848 -0.096134 25H 2s 0.241879 0.220953 0.029492 0.169619 -0.047370 -0.235090 25H 3s -0.131806 -0.038218 -0.138682 -0.076175 0.025773 0.102245 25H 1pz 0.026405 -0.058971 0.061152 -0.020534 -0.018355 0.037588 25H 1px 0.156985 0.057899 0.081766 0.056265 -0.078378 -0.099434 25H 1py 0.062464 -0.035824 0.070796 -0.001579 -0.036752 -0.005235 26O 1s 0.008824 -0.002010 -0.010516 -0.007121 -0.005242 0.003976 26O 2s 0.024993 -0.009066 -0.028217 -0.023947 -0.014129 0.017427 26O 3s -0.093339 0.107634 -0.019748 0.141589 -0.011383 -0.195916 26O 4s -0.085059 -0.208385 0.904462 0.033233 0.602080 0.622982 26O 5s -1.044426 -0.019212 1.017780 0.791102 -0.587266 -0.778017 26O 1pz 0.022989 0.068770 -0.073085 0.052390 -0.038279 0.081657 26O 1px 0.019217 0.023261 -0.040882 0.027649 -0.059541 0.072165 26O 1py 0.002673 0.030683 -0.054386 0.051262 -0.042717 0.070792 26O 2pz -0.168010 -0.283832 0.251679 -0.245649 0.171407 -0.166284 26O 2px 0.279320 -0.038179 -0.807913 -0.409038 -0.227578 -0.199904 26O 2py 0.066770 -0.113592 -0.177826 -0.342268 0.005375 -0.159041 26O 3pz -0.248548 -0.113721 -0.249572 -0.216539 -0.446900 -0.494943 26O 3px 0.254208 -0.140162 -0.687271 -0.491415 -0.155253 -0.043257 26O 3py 0.000724 -0.287643 -0.445034 -0.210474 -0.320023 -0.299806 26O 1dz2 -0.006603 0.015146 0.036775 0.019133 0.008801 -0.020474 26O 1dxz -0.007613 -0.000495 -0.002325 0.001129 -0.003617 0.004121 26O 1dyz 0.008733 0.005495 0.012099 0.021292 -0.006155 -0.023142 26O 1dx2y2 0.009496 -0.006568 -0.032175 -0.019346 -0.012092 0.002511 26O 1dxy 0.002536 0.001970 -0.026783 -0.016489 -0.017228 0.000625 26O 2dz2 0.083058 0.000091 -0.233459 -0.109706 -0.113482 -0.089243 26O 2dxz 0.109761 0.041080 -0.176372 0.000751 -0.101801 0.046273 26O 2dyz 0.056241 -0.021083 -0.129069 -0.044270 -0.111857 -0.051740 26O 2dx2y2 -0.125550 -0.012525 0.326153 0.106193 0.136234 0.044585 26O 2dxy -0.094427 0.000632 0.164655 0.070524 0.024785 0.049851 26O 1f0 -0.020146 -0.019387 0.004967 -0.002060 0.000348 -0.001381 26O 1f+1 -0.002348 0.002258 0.010966 -0.003081 0.017550 -0.011159 26O 1f-1 -0.024634 -0.018585 -0.006789 -0.030413 -0.007689 0.006754 26O 1f+2 0.010427 0.009532 0.017512 0.024247 0.007000 -0.010173 26O 1f-2 0.033767 0.005826 -0.044616 0.005664 -0.011414 0.013973 26O 1f+3 0.006472 -0.001859 0.003751 0.003555 0.006356 -0.006281 26O 1f-3 -0.006696 -0.015915 0.030597 -0.001063 0.022760 -0.018142 27O 1s -0.010216 -0.004625 -0.002240 0.013524 -0.007437 0.002260 27O 2s -0.030098 -0.009926 -0.005501 0.042721 -0.022084 0.012468 27O 3s 0.144111 -0.079469 -0.008233 -0.188106 0.037523 -0.182839 27O 4s -0.089335 0.578841 0.174090 -0.292534 0.622631 0.673163 27O 5s 1.229742 0.552828 0.156270 -1.216443 -0.651243 -0.535835 27O 1pz -0.012690 -0.060722 0.010549 -0.005269 -0.020898 0.028338 27O 1px -0.033236 -0.109794 -0.008412 0.014182 -0.080898 0.090891 27O 1py 0.037972 0.132457 0.018011 0.000491 0.064350 -0.073754 27O 2pz 0.130098 0.284159 -0.004835 -0.025045 0.135293 -0.015192 27O 2px -0.233653 -0.217993 -0.136727 0.753113 -0.298568 -0.357475 27O 2py -0.173730 -0.408074 -0.078826 -0.155838 -0.162673 0.149363 27O 3pz 0.232230 0.045241 0.109159 0.087624 -0.351849 -0.254453 27O 3px -0.191686 -0.228617 -0.167229 0.783082 -0.307397 -0.100384 27O 3py -0.234105 -0.038780 0.200222 -0.300972 0.578726 0.356917 27O 1dz2 0.011108 0.007436 0.014037 -0.017060 0.015327 0.003871 27O 1dxz 0.005424 -0.000941 -0.002967 -0.010305 0.002197 0.003122 27O 1dyz 0.006232 0.001421 -0.001766 0.025124 -0.001706 0.023631 27O 1dx2y2 -0.012122 -0.015856 -0.000904 0.056414 -0.029923 0.007037 27O 1dxy -0.004405 0.010532 -0.001866 -0.005138 0.013441 0.003522 27O 2dz2 -0.066141 -0.089110 -0.019931 0.133980 -0.047446 -0.051453 27O 2dxz -0.096493 -0.092020 -0.038218 0.119445 -0.115060 -0.022398 27O 2dyz -0.000102 -0.014914 0.010086 -0.072639 0.089652 0.073653 27O 2dx2y2 0.154955 0.177421 0.095643 -0.304951 0.205324 0.139465 27O 2dxy 0.079372 0.093863 0.022537 -0.057414 0.145606 -0.017233 27O 1f0 -0.004579 -0.003020 -0.004549 -0.009576 0.010383 -0.006146 27O 1f+1 0.001753 0.022290 0.009232 -0.006991 0.017466 -0.011726 27O 1f-1 -0.015240 -0.026394 0.009970 0.000510 -0.003966 -0.006585 27O 1f+2 -0.022937 -0.002288 -0.002220 -0.032960 0.029788 -0.015750 27O 1f-2 0.019347 0.027970 0.005646 -0.033252 0.018630 -0.010718 27O 1f+3 0.003109 0.019797 -0.003586 -0.008209 0.021148 -0.009192 27O 1f-3 -0.033023 -0.034971 -0.009074 -0.004642 -0.009185 0.005025 28O 1s 0.013131 0.009789 -0.014326 0.004182 -0.007059 0.001886 28O 2s 0.037264 0.033190 -0.042407 0.016258 -0.019775 0.000164 28O 3s -0.145467 -0.225371 0.150083 -0.147599 0.034936 0.130812 28O 4s -0.093629 0.222108 0.179069 0.185802 0.438242 -0.731191 28O 5s -1.187198 -0.828631 1.010414 -0.240674 -0.653244 0.188413 28O 1pz 0.003148 -0.022133 -0.144362 -0.067586 -0.055319 -0.078662 28O 1px -0.048395 -0.008599 0.079695 0.005647 0.062519 0.024636 28O 1py -0.003472 -0.035568 -0.063713 -0.033711 -0.010717 -0.033889 28O 2pz 0.319977 0.314376 -0.102904 0.317264 -0.060196 0.368893 28O 2px -0.226399 -0.193462 0.336807 -0.062620 0.126276 -0.350702 28O 2py 0.063801 0.191074 0.084810 0.142268 0.012954 0.072887 28O 3pz -0.095479 0.417567 -0.155339 0.243891 -0.394459 0.456890 28O 3px -0.335627 -0.275114 0.372165 -0.145268 -0.058386 -0.022234 28O 3py -0.260176 -0.020507 -0.003158 0.205600 -0.310548 0.293537 28O 1dz2 0.029555 0.000078 -0.024857 -0.013516 -0.017424 0.008420 28O 1dxz -0.019070 -0.024024 0.058103 -0.017552 0.026485 -0.008359 28O 1dyz 0.020614 -0.014026 -0.001530 -0.015005 -0.015172 0.019372 28O 1dx2y2 0.003167 0.022052 -0.008207 0.007287 -0.002985 0.006795 28O 1dxy -0.015405 -0.015682 0.029165 0.002567 0.008534 0.005400 28O 2dz2 -0.110332 0.019333 0.021185 0.017233 -0.026410 0.019147 28O 2dxz 0.221461 0.115195 -0.215185 0.038528 -0.118573 0.197178 28O 2dyz -0.062456 0.015398 0.040861 0.043001 -0.051317 0.065779 28O 2dx2y2 -0.043556 -0.060227 0.144220 -0.033176 0.082449 -0.121104 28O 2dxy 0.041727 0.025695 -0.023073 0.026582 -0.039334 0.043820 28O 1f0 0.002888 -0.007491 0.008213 -0.001158 0.012113 0.007904 28O 1f+1 0.010930 0.012721 -0.021483 0.019135 -0.012284 0.006915 28O 1f-1 0.009287 0.016778 -0.059479 0.010052 -0.029742 0.000473 28O 1f+2 0.013430 -0.011563 -0.024168 -0.005397 -0.015355 -0.005175 28O 1f-2 -0.006011 0.017999 -0.011839 0.018512 -0.018262 -0.002761 28O 1f+3 0.017439 0.021320 -0.037537 -0.003182 -0.023425 -0.005064 28O 1f-3 0.008172 0.010508 -0.023230 -0.001237 -0.005963 0.004601 29O 1s -0.001908 0.001407 0.000669 -0.000992 0.001761 -0.003792 29O 2s -0.006204 0.005073 0.002556 -0.003542 0.006161 -0.011811 29O 3s 0.041706 -0.048202 -0.020679 0.031328 -0.043447 0.095510 29O 4s -0.085101 0.124939 0.054353 -0.082057 0.068446 -0.122294 29O 5s 0.269884 -0.196365 -0.165893 0.170873 -0.199000 -0.148677 29O 1pz -0.095298 -0.070542 0.019734 -0.104625 -0.016727 0.017305 29O 1px -0.042151 -0.031127 0.005452 -0.034412 0.028119 -0.093712 29O 1py 0.026601 0.002013 -0.003825 0.014727 -0.006013 -0.013097 29O 2pz 0.381474 0.328823 -0.063277 0.469544 0.056357 0.012997 29O 2px 0.183051 0.130323 -0.045037 0.174992 -0.093040 0.153431 29O 2py -0.093768 -0.029290 0.026479 -0.055756 0.036269 0.057882 29O 3pz -0.051453 0.020628 -0.035501 0.077051 -0.016031 0.030699 29O 3px -0.065612 0.048871 0.057692 -0.014341 0.069727 -0.009042 29O 3py -0.050376 0.027347 0.031737 -0.043276 0.026727 0.122656 29O 1dz2 -0.002266 -0.002652 -0.004558 -0.000921 0.004462 0.010426 29O 1dxz -0.001522 -0.001304 0.012729 -0.007936 -0.001668 0.012903 29O 1dyz -0.009986 -0.005116 0.004129 -0.016719 -0.000273 0.004497 29O 1dx2y2 -0.004388 0.000200 -0.004341 -0.004760 -0.002976 -0.030859 29O 1dxy 0.006259 -0.011022 0.002698 0.001582 0.000257 -0.017374 29O 2dz2 -0.093072 -0.086046 0.004445 -0.128131 -0.017349 -0.003383 29O 2dxz 0.101866 0.083769 -0.005980 0.101353 -0.024068 0.025474 29O 2dyz -0.170214 -0.152408 0.037341 -0.228608 -0.012583 -0.014559 29O 2dx2y2 0.011734 0.021981 -0.007066 0.023522 0.020252 -0.039247 29O 2dxy -0.073749 -0.081136 0.020310 -0.091868 0.019922 -0.039074 29O 1f0 -0.011604 -0.004672 0.002379 -0.014017 0.000932 0.003946 29O 1f+1 -0.010627 -0.019894 -0.006651 -0.018661 0.000589 -0.004748 29O 1f-1 -0.020896 -0.020285 0.005780 -0.026135 -0.002842 0.003676 29O 1f+2 0.014792 0.009630 0.010076 0.015520 -0.004921 0.014740 29O 1f-2 0.030700 0.034439 -0.008529 0.033746 -0.001221 0.015424 29O 1f+3 -0.008479 -0.011501 0.004417 -0.013323 -0.001212 0.036862 29O 1f-3 -0.028337 0.000141 -0.005753 -0.025967 -0.000995 -0.002352 30O 1s -0.013879 -0.017272 -0.004913 0.003531 -0.008475 -0.001864 30O 2s -0.038856 -0.053714 -0.015973 0.007035 -0.024993 -0.012512 30O 3s 0.134341 0.246495 0.092376 0.054112 0.059918 0.225593 30O 4s 0.182604 0.180624 -0.081795 -0.240602 0.511253 -0.919315 30O 5s 1.363147 1.182699 0.620991 -0.194642 -0.836367 0.418492 30O 1pz -0.010442 -0.032592 -0.003518 0.102077 -0.059804 -0.066873 30O 1px 0.051592 0.053837 0.007694 -0.017663 0.058970 0.024627 30O 1py -0.008056 0.034351 0.030377 -0.124490 0.067488 0.087319 30O 2pz -0.259403 -0.364984 -0.128980 -0.178028 -0.068378 0.270616 30O 2px 0.258954 0.403502 0.106047 -0.185743 0.191240 -0.306546 30O 2py 0.340920 0.408310 0.041124 0.256097 0.050890 -0.312027 30O 3pz 0.045792 -0.507330 0.145869 -0.118285 -0.412559 0.278566 30O 3px 0.424492 0.442268 0.174735 -0.019434 -0.185789 0.088361 30O 3py -0.249891 0.574323 0.028777 0.258014 0.619278 -0.464865 30O 1dz2 0.000068 -0.003707 0.000204 0.004077 -0.000744 -0.007919 30O 1dxz 0.007299 0.039963 0.020857 -0.005305 0.022902 -0.000877 30O 1dyz 0.030662 0.014507 -0.002273 -0.020972 0.024147 -0.019855 30O 1dx2y2 0.022181 -0.002396 0.003802 -0.019557 0.008278 -0.001292 30O 1dxy -0.018938 -0.058721 -0.010831 0.014741 -0.028662 -0.012134 30O 2dz2 -0.005047 -0.031574 0.001971 0.037668 -0.010168 0.018075 30O 2dxz -0.151463 -0.218549 -0.029748 0.051295 -0.119349 0.124151 30O 2dyz -0.189622 -0.081532 -0.046481 0.075071 0.030290 0.006159 30O 2dx2y2 -0.055927 0.114901 0.017150 -0.021032 0.104644 -0.068706 30O 2dxy 0.180300 0.219104 0.033628 -0.030583 0.133807 -0.167200 30O 1f0 0.011693 0.049303 0.018731 -0.022927 0.044271 0.010829 30O 1f+1 -0.006795 -0.009699 -0.010363 0.005619 -0.003619 -0.000340 30O 1f-1 -0.005036 -0.000794 0.006934 -0.003328 -0.003952 0.000578 30O 1f+2 -0.005379 0.017136 -0.005113 -0.001589 0.004111 -0.002643 30O 1f-2 -0.019751 0.006794 0.005523 0.030167 0.000188 -0.001593 30O 1f+3 -0.023670 -0.061410 -0.006517 0.017737 -0.043428 -0.008665 30O 1f-3 0.003168 -0.004005 -0.002406 -0.000553 -0.013994 -0.011757 31O 1s -0.013883 0.017224 0.004621 -0.003434 -0.008686 0.001501 31O 2s -0.038912 0.053527 0.015133 -0.006612 -0.025653 0.011267 31O 3s 0.135820 -0.245284 -0.089071 -0.058677 0.063150 -0.217683 31O 4s 0.176884 -0.179087 0.085413 0.249129 0.507039 0.915771 31O 5s 1.374433 -1.185796 -0.611645 0.206133 -0.818572 -0.419930 31O 1pz 0.008733 -0.031811 -0.001964 0.100368 0.062113 -0.064006 31O 1px -0.050929 0.053307 0.005911 -0.017119 -0.059956 0.022341 31O 1py 0.009838 0.033116 0.029287 -0.122437 -0.070730 0.083701 31O 2pz 0.264245 -0.366076 -0.128680 -0.172018 0.067805 0.269845 31O 2px -0.257725 0.401939 0.102590 -0.187817 -0.193922 -0.308357 31O 2py -0.346288 0.411314 0.039643 0.248342 -0.048132 -0.309513 31O 3pz -0.052750 -0.502873 0.147888 -0.125324 0.408160 0.294002 31O 3px -0.426041 0.442923 0.170933 -0.023843 0.180313 0.087384 31O 3py 0.257338 0.568531 0.028381 0.269017 -0.616054 -0.486532 31O 1dz2 -0.000049 0.003769 -0.000113 -0.004146 -0.000918 0.007797 31O 1dxz 0.007369 -0.039876 -0.020635 0.005114 0.023644 0.001579 31O 1dyz 0.030536 -0.014652 0.002987 0.021058 0.024393 0.020239 31O 1dx2y2 0.022204 0.002135 -0.003427 0.019752 0.008729 0.001396 31O 1dxy -0.018857 0.058614 0.010484 -0.014605 -0.029592 0.011020 31O 2dz2 -0.004435 0.031433 -0.002359 -0.037589 -0.010522 -0.017982 31O 2dxz -0.150442 0.217795 0.027336 -0.052374 -0.120511 -0.126874 31O 2dyz -0.190781 0.083172 0.044624 -0.078997 0.027565 -0.004506 31O 2dx2y2 -0.057964 -0.112854 -0.016972 0.018211 0.104665 0.071960 31O 2dxy 0.179698 -0.219502 -0.030553 0.032448 0.134984 0.169230 31O 1f0 -0.011508 0.049196 0.018442 -0.022649 -0.045466 0.009335 31O 1f+1 0.006951 -0.009631 -0.010222 0.005646 0.003949 -0.000021 31O 1f-1 0.004976 -0.000842 0.007016 -0.003298 0.003723 0.000434 31O 1f+2 0.005637 0.017085 -0.004815 -0.001538 -0.004221 -0.003018 31O 1f-2 0.019092 0.007300 0.006172 0.029822 -0.000315 -0.001471 31O 1f+3 0.023359 -0.061276 -0.005944 0.017440 0.044372 -0.007219 31O 1f-3 -0.003095 -0.003738 -0.002340 -0.000865 0.014060 -0.011348 32O 1s -0.001903 -0.001450 -0.000747 0.000948 0.001768 0.003774 32O 2s -0.006187 -0.005205 -0.002807 0.003383 0.006218 0.011753 32O 3s 0.041594 0.049005 0.022423 -0.029884 -0.044230 -0.094925 32O 4s -0.085706 -0.126546 -0.057525 0.078427 0.071817 0.120969 32O 5s 0.274568 0.202516 0.173506 -0.164340 -0.208117 0.148850 32O 1pz 0.094869 -0.071075 0.021858 -0.102661 0.015673 0.015779 32O 1px 0.039956 -0.030895 0.006549 -0.033362 -0.027168 -0.094366 32O 1py -0.024146 0.000461 -0.003614 0.012162 0.006309 -0.013278 32O 2pz -0.378801 0.331508 -0.072883 0.460869 -0.052971 0.019687 32O 2px -0.176669 0.128970 -0.049598 0.169367 0.092642 0.156248 32O 2py 0.083642 -0.020965 0.026055 -0.043486 -0.037507 0.058507 32O 3pz 0.051502 0.020889 -0.035697 0.076140 0.017379 0.031386 32O 3px 0.063254 0.048800 0.057859 -0.013225 -0.071730 -0.008984 32O 3py 0.054774 0.029457 0.033595 -0.041165 -0.029271 0.122627 32O 1dz2 -0.002646 0.002849 0.004843 0.000925 0.004569 -0.010364 32O 1dxz -0.001454 0.001450 -0.012680 0.007747 -0.001201 -0.012902 32O 1dyz -0.010016 0.005261 -0.004352 0.016413 0.000032 -0.003968 32O 1dx2y2 -0.004515 -0.000139 0.004305 0.004681 -0.003364 0.030811 32O 1dxy 0.006354 0.011089 -0.002727 -0.001410 0.000032 0.017635 32O 2dz2 -0.085870 0.080900 -0.004401 0.117053 -0.016300 0.004338 32O 2dxz 0.103937 -0.086731 0.009295 -0.103492 -0.023984 -0.028214 32O 2dyz -0.170234 0.155461 -0.041926 0.226972 -0.011678 0.019362 32O 2dx2y2 0.015655 -0.025738 0.008379 -0.028172 0.019620 0.038115 32O 2dxy -0.068863 0.078353 -0.021684 0.086264 0.019800 0.040818 32O 1f0 0.010277 -0.003497 0.002274 -0.012221 -0.001079 0.003403 32O 1f+1 0.011676 -0.021059 -0.006195 -0.019456 -0.000430 -0.005744 32O 1f-1 0.020921 -0.020474 0.006554 -0.026020 0.002545 0.004126 32O 1f+2 -0.014467 0.009788 0.009419 0.015094 0.004523 0.014297 32O 1f-2 -0.030375 0.034440 -0.009356 0.033164 0.001235 0.015030 32O 1f+3 0.006545 -0.010072 0.004485 -0.011083 0.000828 0.037170 32O 1f-3 0.028451 -0.000042 -0.005214 -0.025749 0.001019 -0.002023 33O 1s 0.012996 -0.009902 0.014148 -0.004010 -0.007278 -0.001715 33O 2s 0.036854 -0.033534 0.041777 -0.015795 -0.020478 0.000421 33O 3s -0.143410 0.227388 -0.146190 0.146650 0.038739 -0.134100 33O 4s -0.096581 -0.224762 -0.176980 -0.192341 0.433484 0.729776 33O 5s -1.173998 0.830169 -1.023491 0.244139 -0.629931 -0.199845 33O 1pz -0.000834 -0.021580 -0.141278 -0.068459 0.057318 -0.079362 33O 1px 0.047643 -0.009362 0.078126 0.007017 -0.063851 0.024507 33O 1py 0.004739 -0.035364 -0.062634 -0.033913 0.012018 -0.034407 33O 2pz -0.324067 0.313754 -0.107285 0.314928 0.062979 0.363355 33O 2px 0.224687 -0.192684 0.334978 -0.060362 -0.128827 -0.343266 33O 2py -0.068511 0.190931 0.080895 0.142391 -0.013661 0.073112 33O 3pz 0.088917 0.416845 -0.141498 0.241579 0.391465 0.448745 33O 3px 0.335199 -0.276174 0.372913 -0.144286 0.050639 -0.018669 33O 3py 0.255219 -0.018997 0.008014 0.207121 0.309228 0.292235 33O 1dz2 0.029164 -0.000277 0.024777 0.014106 -0.017628 -0.008418 33O 1dxz -0.018814 0.024254 -0.057436 0.017118 0.027604 0.007589 33O 1dyz 0.020639 0.013756 0.001836 0.015438 -0.015031 -0.019738 33O 1dx2y2 0.003097 -0.021958 0.007939 -0.007136 -0.002953 -0.006319 33O 1dxy -0.015317 0.015818 -0.029254 -0.002921 0.009145 -0.005643 33O 2dz2 -0.109784 -0.018999 -0.024234 -0.018053 -0.024859 -0.017416 33O 2dxz 0.221003 -0.115784 0.215247 -0.035382 -0.120948 -0.194939 33O 2dyz -0.062177 -0.015174 -0.043811 -0.043040 -0.049706 -0.063909 33O 2dx2y2 -0.043159 0.060514 -0.142040 0.032330 0.083745 0.118620 33O 2dxy 0.042834 -0.026251 0.023682 -0.026314 -0.039790 -0.044598 33O 1f0 -0.002587 -0.007503 0.008443 -0.000924 -0.012611 0.007681 33O 1f+1 -0.010557 0.012877 -0.021010 0.018954 0.012727 0.006685 33O 1f-1 -0.009160 0.016918 -0.058747 0.009829 0.030933 -0.000513 33O 1f+2 -0.012376 -0.011492 -0.022697 -0.005503 0.015246 -0.005443 33O 1f-2 0.005512 0.018101 -0.011761 0.018516 0.018770 -0.002842 33O 1f+3 -0.017176 0.021551 -0.037363 -0.003696 0.024184 -0.005392 33O 1f-3 -0.007863 0.010666 -0.023088 -0.001508 0.006312 0.004440 34O 1s -0.009976 0.004496 0.001982 -0.013448 -0.007579 -0.002551 34O 2s -0.029281 0.009469 0.004740 -0.042475 -0.022380 -0.013390 34O 3s 0.138516 0.083139 0.011666 0.187310 0.034497 0.186028 34O 4s -0.082845 -0.585099 -0.172549 0.285979 0.648502 -0.658200 34O 5s 1.211155 -0.555149 -0.145752 1.227420 -0.639242 0.548889 34O 1pz 0.012290 -0.060572 0.011061 -0.005140 0.021000 0.029207 34O 1px 0.031020 -0.108343 -0.006474 0.012809 0.080820 0.091915 34O 1py -0.036951 0.132071 0.016738 0.000750 -0.065011 -0.075426 34O 2pz -0.129524 0.284548 -0.008556 -0.025945 -0.138811 -0.019196 34O 2px 0.232317 -0.220844 -0.133727 0.751526 0.317818 -0.339445 34O 2py 0.173186 -0.407691 -0.073725 -0.154889 0.164097 0.150800 34O 3pz -0.233042 0.047812 0.109375 0.081202 0.353814 -0.249554 34O 3px 0.186019 -0.227705 -0.164999 0.778255 0.324054 -0.086938 34O 3py 0.233641 -0.042554 0.202226 -0.292339 -0.591121 0.346222 34O 1dz2 0.010962 -0.007263 -0.013766 0.016926 0.015897 -0.003292 34O 1dxz 0.005407 0.000821 0.002960 0.010400 0.002375 -0.002927 34O 1dyz 0.006508 -0.001546 0.002046 -0.025166 -0.001795 -0.024073 34O 1dx2y2 -0.011575 0.015690 0.000537 -0.056127 -0.030640 -0.008321 34O 1dxy -0.004710 -0.010278 0.002148 0.004808 0.013519 -0.003365 34O 2dz2 -0.065224 0.089346 0.018518 -0.133451 -0.050669 0.049317 34O 2dxz -0.097434 0.092758 0.036590 -0.120182 -0.119254 0.017917 34O 2dyz 0.000099 0.015172 -0.009503 0.071429 0.091567 -0.071274 34O 2dx2y2 0.154359 -0.177727 -0.092536 0.303936 0.214386 -0.132068 34O 2dxy 0.079650 -0.093938 -0.020427 0.057562 0.147680 0.021184 34O 1f0 0.004330 -0.003009 -0.004323 -0.009529 -0.010409 -0.006586 34O 1f+1 -0.001739 0.022174 0.009170 -0.006798 -0.017824 -0.012408 34O 1f-1 0.015002 -0.026366 0.010395 0.000367 0.003969 -0.006285 34O 1f+2 0.023485 -0.002861 -0.002063 -0.032302 -0.029774 -0.016531 34O 1f-2 -0.018777 0.027598 0.005208 -0.033127 -0.019075 -0.011649 34O 1f+3 -0.002245 0.019385 -0.004135 -0.007591 -0.021061 -0.009445 34O 1f-3 0.033230 -0.035390 -0.008579 -0.004317 0.009744 0.005454 35O 1s 0.008565 0.001969 0.010273 0.007263 -0.005267 -0.003738 35O 2s 0.024160 0.008998 0.027381 0.024342 -0.014028 -0.016518 35O 3s -0.088793 -0.108787 0.025169 -0.142572 -0.017122 0.188093 35O 4s -0.085376 0.216760 -0.906184 -0.038812 0.630619 -0.609988 35O 5s -1.030456 0.021754 -1.028276 -0.792318 -0.580204 0.769940 35O 1pz -0.022841 0.068709 -0.071500 0.051436 0.038577 0.079618 35O 1px -0.018490 0.023040 -0.038175 0.026923 0.058657 0.069682 35O 1py -0.002896 0.030907 -0.053082 0.050933 0.043360 0.069351 35O 2pz 0.168226 -0.284555 0.247765 -0.240882 -0.174410 -0.161732 35O 2px -0.271755 -0.032396 -0.808664 -0.413411 0.245181 -0.197079 35O 2py -0.061063 -0.113132 -0.177901 -0.342877 -0.003393 -0.157664 35O 3pz 0.255033 -0.115024 -0.237642 -0.217269 0.453718 -0.504883 35O 3px -0.244024 -0.139333 -0.684681 -0.493049 0.165983 -0.051984 35O 3py 0.006158 -0.288052 -0.438767 -0.214076 0.331768 -0.309428 35O 1dz2 -0.005936 -0.015112 -0.036198 -0.019408 0.009082 0.019905 35O 1dxz -0.007689 0.000521 0.002069 -0.001153 -0.003561 -0.004034 35O 1dyz 0.009134 -0.005599 -0.012075 -0.021068 -0.006343 0.022723 35O 1dx2y2 0.009075 0.006402 0.031802 0.019524 -0.012519 -0.002230 35O 1dxy 0.002054 -0.002041 0.026118 0.016622 -0.017427 -0.000354 35O 2dz2 0.080360 -0.001441 0.232310 0.111256 -0.118134 0.089733 35O 2dxz 0.108170 -0.041760 0.174223 0.001758 -0.104373 -0.043433 35O 2dyz 0.054694 0.020410 0.126766 0.046018 -0.114627 0.053970 35O 2dx2y2 -0.122986 0.014773 -0.325917 -0.108349 0.143341 -0.045260 35O 2dxy -0.091402 -0.000141 -0.164448 -0.072070 0.027258 -0.049023 35O 1f0 0.020359 -0.019601 0.005609 -0.001931 -0.000639 -0.001564 35O 1f+1 0.001778 0.002274 0.010154 -0.003085 -0.017461 -0.010625 35O 1f-1 0.025190 -0.018905 -0.006579 -0.030130 0.007503 0.006362 35O 1f+2 -0.011271 0.009626 0.016654 0.024109 -0.006795 -0.009513 35O 1f-2 -0.033306 0.005932 -0.044119 0.005148 0.011976 0.013423 35O 1f+3 -0.006718 -0.001721 0.003143 0.003725 -0.006066 -0.006012 35O 1f-3 0.006676 -0.016136 0.030294 -0.000784 -0.023157 -0.017757 588 589 590 591 592 593 4.19636 4.27692 4.39824 4.40026 4.40947 4.41643 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s 0.003200 0.005509 0.000474 -0.000208 0.001026 -0.000007 0Rh 2s -0.030464 -0.064456 -0.003829 0.003091 -0.008772 0.003921 0Rh 3s 0.000848 -0.005686 0.000542 0.000607 0.000887 0.002304 0Rh 4s 0.171203 0.362317 0.021839 -0.017424 0.049954 -0.021844 0Rh 5s -0.406077 -0.906224 -0.050597 0.046091 -0.117331 0.066925 0Rh 6s 0.425354 1.137542 0.045434 -0.068103 0.111898 -0.137391 0Rh 7s -0.640309 -2.500962 -0.055415 0.195537 -0.176321 0.582854 0Rh 8s 0.025218 0.198488 -0.042286 0.015491 -0.130504 -0.085123 0Rh 1pz 0.000503 0.002055 0.000825 0.002649 0.002113 0.000897 0Rh 1px -0.000950 -0.011396 -0.000893 0.002759 -0.002201 0.005759 0Rh 1py 0.002475 -0.002581 0.000678 0.000500 -0.001061 -0.004682 0Rh 2pz -0.002055 -0.007474 -0.003389 -0.010669 -0.008652 -0.003863 0Rh 2px 0.003614 0.043529 0.003628 -0.010848 0.008811 -0.022430 0Rh 2py -0.009918 0.009935 -0.002857 -0.001985 0.004366 0.018917 0Rh 3pz 0.006570 0.004307 0.011092 0.029705 0.028053 0.015588 0Rh 3px -0.005803 -0.074147 -0.010843 0.024945 -0.023296 0.046594 0Rh 3py 0.027132 -0.018605 0.011270 0.004536 -0.014639 -0.053628 0Rh 4pz -0.011221 0.051195 -0.018907 -0.030365 -0.048257 -0.029753 0Rh 4px -0.008256 -0.074506 0.014275 -0.008951 0.019347 0.006293 0Rh 4py -0.027946 -0.009175 -0.026699 0.001344 0.026881 0.056038 0Rh 5pz 0.022312 -0.123816 0.029265 0.008845 0.077689 0.031169 0Rh 5px 0.029382 0.279441 -0.014476 -0.024314 -0.002977 -0.106069 0Rh 5py 0.013540 0.047898 0.052722 -0.018670 -0.045927 -0.014492 0Rh 6pz -0.144199 0.063389 -0.094146 0.080386 -0.292785 -0.028431 0Rh 6px -0.051115 -0.005839 0.120352 -0.002606 0.323885 0.077133 0Rh 6py 0.021347 0.027814 -0.135671 0.011603 0.146851 -0.130455 0Rh 1dz2 0.063837 0.061708 0.005885 -0.005839 0.003035 -0.013729 0Rh 1dxz -0.008889 0.099243 -0.012007 -0.005320 -0.008728 -0.027278 0Rh 1dyz 0.125377 0.010659 -0.000715 0.002804 -0.005876 -0.005339 0Rh 1dx2y2 -0.004497 -0.136509 0.001766 0.013270 -0.005525 0.032075 0Rh 1dxy 0.038192 -0.048488 -0.003684 0.001929 0.016560 0.012323 0Rh 2dz2 0.011589 0.009293 0.001012 -0.000294 0.000231 -0.001352 0Rh 2dxz -0.001009 0.016134 -0.000868 -0.001515 -0.001209 -0.003764 0Rh 2dyz 0.022073 0.001397 0.000203 0.002244 -0.000270 -0.002121 0Rh 2dx2y2 -0.000626 -0.021666 0.000836 0.001479 -0.000765 0.003110 0Rh 2dxy 0.005878 -0.007837 -0.000574 0.000398 0.001290 0.001704 0Rh 3dz2 -0.304664 -0.288116 -0.028449 0.024906 -0.013523 0.062189 0Rh 3dxz 0.039563 -0.469550 0.052842 0.028672 0.041147 0.128664 0Rh 3dyz -0.595496 -0.048670 0.002069 -0.022151 0.024980 0.031753 0Rh 3dx2y2 0.020274 0.642647 -0.010993 -0.060798 0.025940 -0.144932 0Rh 3dxy -0.177622 0.229232 0.017677 -0.009783 -0.073488 -0.058051 0Rh 4dz2 0.497676 0.456835 0.046166 -0.035690 0.021307 -0.098202 0Rh 4dxz -0.059840 0.756112 -0.080923 -0.052531 -0.067301 -0.212047 0Rh 4dyz 0.970999 0.074251 -0.001830 0.051733 -0.035774 -0.062888 0Rh 4dx2y2 -0.028692 -1.028701 0.021615 0.097600 -0.040946 0.228002 0Rh 4dxy 0.285495 -0.368942 -0.029041 0.017151 0.113703 0.095014 0Rh 5dz2 -0.659078 -0.492072 -0.050432 0.033053 0.001977 0.081238 0Rh 5dxz 0.058976 -0.845155 0.062176 0.078352 0.067724 0.253175 0Rh 5dyz -1.289500 -0.071841 -0.034002 -0.080307 0.048162 0.092176 0Rh 5dx2y2 0.015588 1.134569 -0.041249 -0.104118 0.024184 -0.216186 0Rh 5dxy -0.373781 0.414019 0.009816 0.002967 -0.075219 -0.121234 0Rh 1f0 0.005288 0.004394 -0.001831 -0.000108 0.009179 -0.004784 0Rh 1f+1 0.002346 -0.009022 0.002720 -0.001594 -0.004775 0.006714 0Rh 1f-1 0.003553 -0.000480 -0.010197 0.006969 0.007173 -0.003619 0Rh 1f+2 -0.000651 -0.008464 0.004979 -0.002717 0.010572 -0.005912 0Rh 1f-2 -0.007804 -0.001190 0.003901 0.000151 0.002473 -0.004340 0Rh 1f+3 -0.000202 -0.011192 -0.002789 0.000885 -0.005239 0.007169 0Rh 1f-3 0.006951 -0.008423 -0.004312 0.007079 0.006249 -0.000350 1Rh 1s 0.002580 0.005511 -0.000494 0.000117 -0.001028 0.000227 1Rh 2s -0.024844 -0.064484 0.004644 0.000247 0.009314 0.001872 1Rh 3s 0.000515 -0.005692 -0.000176 0.000848 -0.000577 0.002476 1Rh 4s 0.139597 0.362467 -0.026391 -0.001231 -0.052972 -0.010170 1Rh 5s -0.332158 -0.906557 0.063772 0.007678 0.126519 0.039224 1Rh 6s 0.352484 1.137828 -0.069550 -0.029463 -0.130521 -0.109712 1Rh 7s -0.541837 -2.502282 0.135755 0.131700 0.253006 0.535420 1Rh 8s 0.050633 0.197267 0.044586 -0.011674 0.117599 -0.109665 1Rh 1pz -0.000410 -0.002028 -0.000656 -0.002758 0.002078 -0.001309 1Rh 1px 0.000441 0.011538 -0.002114 -0.001797 -0.002921 -0.005253 1Rh 1py -0.002550 0.002603 0.000577 -0.000833 -0.000330 0.004857 1Rh 2pz 0.001679 0.007378 0.002580 0.011150 -0.008476 0.005549 1Rh 2px -0.001613 -0.044093 0.008416 0.006998 0.011609 0.020416 1Rh 2py 0.010201 -0.010020 -0.002440 0.003405 0.001417 -0.019631 1Rh 3pz -0.005523 -0.004278 -0.005714 -0.032113 0.026806 -0.021008 1Rh 3px 0.001106 0.075595 -0.021610 -0.014641 -0.029013 -0.041447 1Rh 3py -0.027579 0.018775 0.009953 -0.010550 -0.006323 0.055945 1Rh 4pz 0.009880 -0.050276 -0.000751 0.037725 -0.044644 0.039010 1Rh 4px 0.010767 0.073360 0.017112 -0.000728 0.018180 -0.009922 1Rh 4py 0.027206 0.009265 -0.025532 0.014416 0.018207 -0.060127 1Rh 5pz -0.020229 0.121025 0.020624 -0.026346 0.072223 -0.046257 1Rh 5px -0.028019 -0.279389 -0.001395 0.028612 0.010851 0.105020 1Rh 5py -0.010886 -0.048570 0.053753 -0.014401 -0.043324 0.021623 1Rh 6pz 0.117825 -0.051675 -0.121900 -0.007618 -0.281215 0.086012 1Rh 6px 0.100665 -0.000152 0.101975 -0.069919 0.310807 -0.137265 1Rh 6py -0.013944 -0.027982 -0.115846 0.065770 0.164845 0.101665 1Rh 1dz2 0.063731 0.062178 -0.007828 -0.001672 -0.004850 -0.012744 1Rh 1dxz -0.007401 0.098462 0.007880 -0.011585 0.004913 -0.029036 1Rh 1dyz 0.125698 0.010453 0.002039 0.002173 0.004980 -0.006396 1Rh 1dx2y2 -0.005105 -0.136804 0.004886 0.012551 0.009734 0.030671 1Rh 1dxy 0.038880 -0.048560 0.003832 -0.000882 -0.014810 0.014716 1Rh 2dz2 0.011577 0.009354 -0.001050 0.000305 -0.000421 -0.001258 1Rh 2dxz -0.000860 0.016077 0.000025 -0.001833 0.000686 -0.003970 1Rh 2dyz 0.022104 0.001393 0.000882 0.002059 -0.000070 -0.002169 1Rh 2dx2y2 -0.000705 -0.021699 -0.000030 0.001737 0.001182 0.002956 1Rh 2dxy 0.005949 -0.007848 0.000661 -0.000014 -0.001051 0.001883 1Rh 3dz2 -0.304185 -0.290246 0.036451 0.005307 0.021789 0.057725 1Rh 3dxz 0.033053 -0.466158 -0.032149 0.055624 -0.023186 0.136781 1Rh 3dyz -0.596895 -0.047831 -0.012624 -0.018609 -0.019732 0.036257 1Rh 3dx2y2 0.022999 0.643935 -0.019762 -0.059036 -0.044977 -0.138503 1Rh 3dxy -0.180654 0.229557 -0.018719 0.003596 0.065268 -0.068646 1Rh 4dz2 0.497036 0.460029 -0.057201 -0.004657 -0.034434 -0.091173 1Rh 4dxz -0.050380 0.751120 0.045118 -0.092792 0.037788 -0.225078 1Rh 4dyz 0.973117 0.073094 0.026494 0.044514 0.025475 -0.069422 1Rh 4dx2y2 -0.032808 -1.030526 0.028118 0.096905 0.070895 0.217974 1Rh 4dxy 0.289916 -0.369408 0.031348 -0.004732 -0.100322 0.111376 1Rh 5dz2 -0.659681 -0.494279 0.060438 0.000038 0.009359 0.078660 1Rh 5dxz 0.051073 -0.841830 -0.016915 0.104670 -0.032909 0.264872 1Rh 5dyz -1.291300 -0.071123 -0.009735 -0.090271 -0.033346 0.099564 1Rh 5dx2y2 0.021197 1.135578 -0.014170 -0.113928 -0.053201 -0.210221 1Rh 5dxy -0.375883 0.414181 -0.005781 0.009335 0.058689 -0.131769 1Rh 1f0 -0.005047 -0.004266 -0.001238 0.001310 0.009657 0.003126 1Rh 1f+1 -0.002787 0.009206 0.003239 -0.000147 -0.005679 -0.005909 1Rh 1f-1 -0.004101 0.000738 -0.011894 0.000234 0.007793 0.002890 1Rh 1f+2 0.000513 0.008036 0.005702 -0.000381 0.011184 0.003689 1Rh 1f-2 0.007789 0.001028 0.003282 -0.002357 0.003014 0.003662 1Rh 1f+3 -0.000474 0.011297 -0.002873 0.000779 -0.006053 -0.005942 1Rh 1f-3 -0.007618 0.008436 -0.007084 -0.003412 0.006222 -0.000534 2C 1s 0.010001 -0.004570 0.001014 0.001361 -0.000622 0.001392 2C 2s 0.028408 -0.011585 0.001380 0.004491 -0.001115 0.003057 2C 3s -0.215997 0.057187 -0.040677 -0.023433 -0.009213 -0.003286 2C 4s -0.089765 0.091846 0.208187 -0.059073 0.055744 -0.019512 2C 5s 0.001602 -0.094305 -0.026713 0.079470 -0.391781 0.276782 2C 1pz -0.149838 0.032753 -0.004349 -0.023643 -0.000463 -0.008939 2C 1px -0.046000 0.011954 -0.004543 -0.006928 -0.000167 -0.003392 2C 1py -0.103005 0.031624 -0.008284 -0.006511 0.007730 -0.004965 2C 2pz 0.761862 -0.455381 1.060835 -1.228774 0.228711 -0.286440 2C 2px 0.188863 -0.270858 0.175259 -0.292081 0.264729 0.057787 2C 2py 0.271789 0.054704 -0.828245 1.786647 -0.363599 0.683113 2C 3pz -0.113710 0.126867 -0.174191 0.217594 -0.124195 0.116497 2C 3px -0.046845 -0.090785 -0.022688 0.102634 -0.064253 0.042526 2C 3py -0.012358 0.025211 0.145886 -0.274624 0.000178 -0.092886 2C 1dz2 0.006317 -0.027600 -0.081934 0.192717 -0.029766 0.083138 2C 1dxz -0.061560 0.096384 -0.121067 0.254158 -0.083432 0.055941 2C 1dyz -0.001608 -0.093906 0.080346 -0.094415 0.039803 0.010970 2C 1dx2y2 -0.053980 0.050506 -0.185524 0.275192 -0.034695 0.093829 2C 1dxy -0.004133 -0.049389 0.249146 -0.418727 0.069113 -0.140106 2C 2dz2 0.196591 0.018570 -0.195971 0.451611 -0.047428 0.179958 2C 2dxz 0.105454 0.081030 -0.431180 0.858028 -0.228008 0.261595 2C 2dyz 0.442624 -0.189297 0.210307 -0.169804 0.075370 0.019463 2C 2dx2y2 -0.101093 0.064177 -0.426236 0.672705 -0.035454 0.238329 2C 2dxy 0.267958 -0.234549 0.667024 -1.047737 0.182031 -0.336741 2C 1f0 -0.094901 0.133324 -0.458021 0.736385 -0.084972 0.249689 2C 1f+1 -0.085362 0.045727 0.162934 -0.310297 0.065219 -0.098706 2C 1f-1 0.253527 -0.099651 0.062119 -0.046598 0.002603 -0.017032 2C 1f+2 0.024235 -0.004364 -0.076336 0.200240 -0.065323 0.062530 2C 1f-2 -0.134771 0.164075 -0.171730 0.261537 -0.071975 0.032122 2C 1f+3 0.114776 -0.018776 -0.164656 0.360316 -0.071443 0.140487 2C 1f-3 -0.021113 -0.029126 0.118689 -0.243512 0.077261 -0.046955 3C 1s -0.007744 -0.002663 -0.000211 -0.000734 0.000797 0.001573 3C 2s -0.021780 -0.006757 -0.000513 -0.002703 0.000215 0.005375 3C 3s 0.117395 0.023419 0.009819 0.027252 -0.050172 -0.036289 3C 4s 0.386535 0.117405 -0.016490 0.001808 0.303742 0.006588 3C 5s 0.209970 0.095590 0.231323 0.102146 -0.163144 0.015499 3C 1pz 0.059121 0.014981 -0.001279 0.007166 0.000390 -0.011056 3C 1px 0.047254 0.009151 0.002120 0.001404 -0.002042 -0.009468 3C 1py -0.107792 -0.007787 -0.005273 -0.011428 0.002757 0.023536 3C 2pz 0.078841 0.265923 0.088432 -0.504499 -0.883969 1.188548 3C 2px -0.205751 -0.135304 0.197101 -0.276713 -0.506207 0.935169 3C 2py 0.447185 0.342064 0.201283 -0.515915 -1.472160 1.025094 3C 3pz 0.021887 0.086325 0.017795 0.074619 0.132472 -0.227935 3C 3px 0.074581 -0.019635 0.003296 0.015725 0.070983 -0.075124 3C 3py -0.173614 -0.118961 -0.072987 0.067717 0.274089 -0.199464 3C 1dz2 -0.018560 0.010476 0.012699 -0.028869 -0.066858 0.071463 3C 1dxz -0.008485 -0.028700 -0.061503 0.129742 0.298237 -0.331729 3C 1dyz 0.060858 0.151349 0.011156 -0.109293 -0.242112 0.169924 3C 1dx2y2 -0.029501 -0.036950 -0.034183 0.125325 0.226074 -0.309684 3C 1dxy -0.046923 -0.033457 0.001469 0.023929 0.040125 -0.054303 3C 2dz2 0.142322 0.057012 0.056275 -0.087123 -0.227255 0.176239 3C 2dxz -0.073059 -0.068500 -0.148096 0.292111 0.668527 -0.763280 3C 2dyz 0.355128 0.228182 0.036501 -0.254630 -0.715492 0.515968 3C 2dx2y2 0.003638 -0.182055 -0.066891 0.325763 0.674963 -0.818745 3C 2dxy 0.117818 -0.036058 -0.020196 0.160723 0.282805 -0.420159 3C 1f0 0.134200 -0.030855 -0.033719 0.183567 0.355037 -0.450655 3C 1f+1 0.021852 -0.027514 0.026374 0.039146 0.075604 -0.073413 3C 1f-1 0.195438 0.199693 0.049844 -0.206970 -0.483479 0.455545 3C 1f+2 0.017518 -0.017358 -0.006317 0.044127 0.086360 -0.063180 3C 1f-2 -0.031757 -0.031297 -0.003140 -0.026493 -0.042719 0.083714 3C 1f+3 -0.038667 -0.033368 -0.066584 0.171025 0.362738 -0.412105 3C 1f-3 0.026507 0.013650 -0.051659 0.058550 0.126494 -0.205577 4C 1s 0.014651 -0.011764 0.005645 -0.001307 0.000473 0.000214 4C 2s 0.032327 -0.026436 0.009404 -0.000752 -0.000044 0.000377 4C 3s -0.524030 0.145397 0.347658 -0.312157 0.111664 -0.063961 4C 4s 0.910474 -0.024082 -1.858477 1.385378 -0.540377 0.251322 4C 5s 0.567077 -0.495795 -0.033035 -0.070368 0.000056 0.074363 4C 1pz 0.012141 0.070215 -0.027681 -0.007053 0.004184 -0.017179 4C 1px -0.006188 0.019682 -0.009907 0.002810 0.009708 0.001681 4C 1py 0.004116 0.049689 -0.021120 0.000553 -0.003829 -0.004620 4C 2pz 1.040866 -0.538177 0.169907 0.033283 -0.209864 0.025830 4C 2px 0.128862 0.181692 -0.482604 0.442697 0.419513 0.481222 4C 2py 0.635925 -0.189574 -0.276709 0.514469 0.026185 0.287106 4C 3pz -0.670623 -0.292736 -0.141495 0.055496 -0.378019 0.247720 4C 3px -0.117989 -0.057288 -0.008404 0.021268 -0.057374 0.045607 4C 3py -0.450125 -0.191141 -0.200979 0.157248 -0.220048 0.261060 4C 1dz2 -0.129314 0.039043 -0.051162 0.094892 -0.046016 0.018001 4C 1dxz -0.125702 0.076630 -0.013545 0.036842 0.004726 0.019829 4C 1dyz -0.177354 0.066699 0.013072 -0.061576 0.013985 -0.038030 4C 1dx2y2 0.068281 0.032486 -0.150060 0.172826 -0.024365 0.049812 4C 1dxy -0.055543 0.063585 -0.019227 -0.020991 0.017289 0.000410 4C 2dz2 0.013594 -0.105192 0.009472 0.073877 -0.065543 -0.064080 4C 2dxz 0.000410 -0.136795 -0.030015 0.075330 0.208526 0.146069 4C 2dyz 0.252405 -0.116167 -0.105377 -0.009603 -0.045572 -0.026916 4C 2dx2y2 0.157068 0.188498 -0.214723 0.179030 -0.071056 0.068110 4C 2dxy 0.193875 0.063641 -0.406334 0.445004 0.035944 0.221695 4C 1f0 -0.169434 0.040678 0.189280 -0.314080 0.044339 -0.116700 4C 1f+1 -0.192464 -0.026841 0.141749 -0.198788 0.058187 -0.030941 4C 1f-1 0.031396 -0.069433 0.113299 -0.104214 -0.006397 -0.030671 4C 1f+2 0.265127 -0.118174 0.036445 -0.085453 -0.027341 -0.040464 4C 1f-2 0.125829 -0.094183 -0.038373 0.080132 0.036337 0.076522 4C 1f+3 0.089620 -0.069176 -0.062716 0.127220 -0.032568 0.044652 4C 1f-3 -0.246372 0.053772 0.057542 -0.036613 -0.006288 -0.028936 5C 1s -0.015615 -0.010309 -0.000754 0.000322 0.008303 -0.001213 5C 2s -0.035766 -0.023378 -0.000805 -0.000803 0.013296 -0.000750 5C 3s 0.523839 0.056267 -0.087578 0.163027 0.601728 -0.331656 5C 4s -1.036947 0.229826 0.497689 -0.696977 -3.097063 1.447027 5C 5s -0.752488 -0.479997 0.134050 -0.031691 0.081513 -0.028017 5C 1pz 0.002771 0.037153 0.003848 0.000100 -0.022590 -0.007541 5C 1px -0.001150 0.021279 0.003412 -0.012760 -0.014364 0.006606 5C 1py 0.000428 -0.061639 0.001377 0.001984 0.036398 0.016525 5C 2pz -0.306281 -0.045691 -0.041787 0.160352 -0.134322 0.016978 5C 2px -0.369353 -0.062293 0.244292 -0.934127 -0.669142 1.528507 5C 2py 0.621825 0.202845 -0.013355 -0.115007 0.015496 -0.097050 5C 3pz 0.349296 -0.135680 0.169108 0.025576 -0.285691 0.134751 5C 3px 0.176968 -0.091272 0.108606 -0.013688 -0.167752 0.157316 5C 3py -0.572521 0.231987 -0.302843 0.012903 0.289274 -0.061072 5C 1dz2 -0.061793 -0.073628 -0.014429 0.063671 0.157502 -0.119672 5C 1dxz 0.051792 -0.012995 -0.022870 0.022106 0.157974 -0.109011 5C 1dyz -0.123687 -0.034246 0.001361 -0.041491 -0.000346 0.073156 5C 1dx2y2 -0.115880 -0.011942 -0.015014 -0.011494 -0.018130 0.013163 5C 1dxy -0.116657 -0.050605 -0.004633 0.049865 -0.009774 -0.026861 5C 2dz2 0.172434 -0.120261 -0.092124 0.247231 0.533959 -0.502221 5C 2dxz -0.081507 -0.180779 0.037093 -0.143604 0.019114 0.215212 5C 2dyz 0.263904 0.000288 -0.013211 -0.053057 0.267830 0.078098 5C 2dx2y2 0.004638 0.199673 0.125973 -0.204036 -0.348497 0.351259 5C 2dxy 0.223585 0.197155 -0.046743 0.251698 0.141025 -0.375339 5C 1f0 0.124060 0.036539 -0.006933 -0.006831 0.043959 -0.042608 5C 1f+1 0.154564 0.040626 -0.012184 0.038198 0.050406 -0.047647 5C 1f-1 -0.077399 -0.075301 0.006677 0.027359 0.118700 -0.087658 5C 1f+2 0.006939 0.013059 0.029506 -0.053090 -0.148089 0.132423 5C 1f-2 -0.089012 0.010715 -0.027702 0.081864 0.016382 -0.164766 5C 1f+3 0.101744 -0.089321 -0.014641 0.074902 0.184199 -0.097847 5C 1f-3 -0.216948 -0.009485 0.041643 -0.142863 -0.327899 0.351594 6C 1s -0.015576 -0.010316 0.000790 -0.000180 -0.008376 0.000385 6C 2s -0.035704 -0.023406 0.000305 -0.001206 -0.013281 0.001744 6C 3s 0.527613 0.060970 0.150507 0.089165 -0.640120 -0.212908 6C 4s -1.056985 0.212705 -0.749091 -0.312615 3.259385 0.838199 6C 5s -0.753479 -0.479386 -0.133239 0.044373 -0.086245 -0.015631 6C 1pz -0.002781 -0.037203 0.003075 -0.002489 -0.021222 0.011812 6C 1px 0.002780 -0.021349 0.009290 0.008548 -0.014845 -0.003863 6C 1py -0.000429 0.061396 0.000172 -0.002175 0.033224 -0.023842 6C 2pz 0.297251 0.051868 -0.114663 -0.104346 -0.151093 0.007144 6C 2px 0.394084 0.066918 0.659688 0.641379 -0.849316 -1.415027 6C 2py -0.617733 -0.210002 0.045352 0.100706 0.035784 0.093942 6C 3pz -0.351729 0.139447 0.129682 -0.108993 -0.301659 -0.083558 6C 3px -0.170421 0.092691 0.097701 -0.045291 -0.186216 -0.126332 6C 3py 0.569665 -0.235363 -0.265600 0.151672 0.290658 0.009527 6C 1dz2 -0.059766 -0.073212 0.042836 0.045668 -0.174022 -0.091832 6C 1dxz 0.051823 -0.011559 0.029367 0.006341 -0.174847 -0.081991 6C 1dyz -0.124634 -0.034279 -0.021600 -0.034638 0.011427 0.075111 6C 1dx2y2 -0.117093 -0.013169 0.006803 -0.016820 0.016721 0.006824 6C 1dxy -0.114764 -0.052417 0.028980 0.039880 0.007051 -0.029003 6C 2dz2 0.176523 -0.116733 0.196195 0.158468 -0.599913 -0.404747 6C 2dxz -0.086964 -0.180344 -0.101162 -0.097817 0.008689 0.225773 6C 2dyz 0.262590 0.001497 -0.016050 -0.051469 -0.254514 0.135204 6C 2dx2y2 -0.002410 0.198391 -0.205266 -0.099948 0.387596 0.287574 6C 2dxy 0.233398 0.200049 0.161176 0.179757 -0.180735 -0.349455 6C 1f0 -0.123126 -0.038128 -0.001894 0.008553 0.051363 0.034953 6C 1f+1 -0.156475 -0.042321 -0.028292 -0.023727 0.052166 0.035731 6C 1f-1 0.078246 0.075108 -0.007299 -0.029128 0.135791 0.068570 6C 1f+2 -0.005970 -0.011869 0.049603 0.028181 -0.165188 -0.105527 6C 1f-2 0.087024 -0.009994 -0.063607 -0.053410 0.040052 0.167048 6C 1f+3 -0.102448 0.088410 -0.048134 -0.055987 0.197123 0.063349 6C 1f-3 0.218926 0.014128 0.102218 0.097796 -0.375233 -0.292022 7C 1s 0.014676 -0.011715 -0.005419 0.002273 -0.000386 0.000562 7C 2s 0.032462 -0.026370 -0.008393 0.004963 0.000159 0.000781 7C 3s -0.539136 0.156816 -0.439327 -0.054903 -0.112075 -0.024522 7C 4s 0.966884 -0.072985 2.220229 0.053762 0.536089 0.055185 7C 5s 0.562994 -0.492267 -0.006053 -0.084359 0.009243 0.072415 7C 1pz -0.013340 -0.069980 -0.020012 0.023077 0.006707 0.017765 7C 1px 0.007603 -0.019621 -0.009596 0.003609 0.009397 -0.002884 7C 1py -0.004335 -0.049649 -0.018609 0.012389 -0.002967 0.006433 7C 2pz -1.062869 0.554200 0.138618 -0.126019 -0.210222 0.002422 7C 2px -0.127911 -0.178780 -0.604768 -0.081684 0.358409 -0.515305 7C 2py -0.655352 0.204852 -0.487772 -0.282747 -0.009531 -0.278053 7C 3pz 0.652169 0.306604 -0.136864 0.040175 -0.408511 -0.174132 7C 3px 0.120117 0.060913 -0.013217 -0.009695 -0.060170 -0.033802 7C 3py 0.439954 0.200450 -0.247732 -0.018769 -0.255472 -0.216075 7C 1dz2 -0.128684 0.037628 0.096660 0.056703 0.048327 0.010390 7C 1dxz -0.131709 0.079139 0.034897 0.027465 -0.001153 0.021077 7C 1dyz -0.180459 0.068984 -0.042611 -0.046897 -0.018661 -0.035207 7C 1dx2y2 0.074025 0.027377 0.217003 0.063442 0.029722 0.039621 7C 1dxy -0.057590 0.064390 0.004356 -0.031597 -0.017749 0.001494 7C 2dz2 0.012075 -0.102711 0.041176 0.075976 0.057104 -0.070598 7C 2dxz 0.000918 -0.136568 0.056198 0.044069 -0.187441 0.176365 7C 2dyz 0.260599 -0.120591 0.074060 -0.079109 0.037376 -0.043952 7C 2dx2y2 0.162431 0.182929 0.263070 0.020319 0.075275 0.043589 7C 2dxy 0.202932 0.054530 0.564059 0.144072 -0.009713 0.206611 7C 1f0 0.177705 -0.048296 0.320175 0.162655 0.057803 0.101559 7C 1f+1 0.198207 0.021628 0.223361 0.090696 0.060398 0.015858 7C 1f-1 -0.029339 0.068216 0.150578 0.024275 -0.002991 0.026835 7C 1f+2 -0.270801 0.121014 0.085861 0.060571 -0.019567 0.047154 7C 1f-2 -0.129021 0.097242 -0.066913 -0.044208 0.026704 -0.079053 7C 1f+3 -0.094941 0.073685 -0.118298 -0.075411 -0.038032 -0.037274 7C 1f-3 0.254584 -0.058324 0.057241 -0.007996 -0.004503 0.023969 8C 1s -0.007778 -0.002743 -0.000160 -0.000733 -0.000564 0.001779 8C 2s -0.021849 -0.006969 -0.000821 -0.002563 0.000532 0.005501 8C 3s 0.116037 0.024726 0.004521 0.029364 0.044529 -0.045888 8C 4s 0.394743 0.118544 0.013892 -0.012841 -0.297518 0.064701 8C 5s 0.210527 0.086984 -0.145353 0.209091 0.164636 -0.003544 8C 1pz -0.059273 -0.015351 -0.004370 -0.005156 0.001617 0.011034 8C 1px -0.047281 -0.009607 0.001366 -0.002347 -0.000779 0.009956 8C 1py 0.107368 0.009008 0.000792 0.012843 -0.000951 -0.024470 8C 2pz -0.078307 -0.264433 0.317698 0.389213 -1.081555 -1.059089 8C 2px 0.216609 0.141133 0.293915 0.119764 -0.637434 -0.861475 8C 2py -0.437526 -0.343729 0.414787 0.325778 -1.618538 -0.762826 8C 3pz -0.022395 -0.085825 -0.019397 -0.074686 0.169501 0.207206 8C 3px -0.074390 0.022109 -0.004106 -0.012964 0.082575 0.063059 8C 3py 0.173317 0.117767 -0.092716 -0.019107 0.302809 0.152411 8C 1dz2 -0.018808 0.010150 -0.023323 -0.017200 0.074977 0.058186 8C 1dxz -0.006305 -0.028944 0.114663 0.076951 -0.351724 -0.286440 8C 1dyz 0.060875 0.150959 -0.060880 -0.087713 0.266727 0.125533 8C 1dx2y2 -0.027428 -0.035676 0.087814 0.088008 -0.271989 -0.272932 8C 1dxy -0.048721 -0.035160 0.011216 0.023162 -0.054009 -0.051736 8C 2dz2 0.140525 0.059451 -0.087393 -0.041069 0.247753 0.132574 8C 2dxz -0.070717 -0.070820 0.266375 0.169368 -0.794570 -0.664977 8C 2dyz 0.354299 0.227717 -0.150156 -0.198976 0.787653 0.381967 8C 2dx2y2 0.003308 -0.178575 0.208848 0.241897 -0.793794 -0.702775 8C 2dxy 0.118960 -0.035234 0.094991 0.130469 -0.356797 -0.382192 8C 1f0 -0.135520 0.028174 -0.114840 -0.139050 0.423379 0.392492 8C 1f+1 -0.019268 0.026244 0.004914 -0.048550 0.084391 0.055106 8C 1f-1 -0.193988 -0.199714 0.141364 0.151754 -0.556566 -0.376336 8C 1f+2 -0.018643 0.014934 -0.024609 -0.032592 0.088159 0.041671 8C 1f-2 0.034596 0.035230 0.008399 0.023274 -0.050560 -0.074793 8C 1f+3 0.038089 0.033359 -0.136869 -0.108988 0.424085 0.351583 8C 1f-3 -0.027251 -0.013205 -0.073269 -0.021586 0.162320 0.192139 9C 1s 0.010207 -0.004715 -0.000237 0.001813 0.000784 0.001333 9C 2s 0.028985 -0.011955 0.000862 0.004703 0.001448 0.002890 9C 3s -0.220194 0.058679 0.025243 -0.043268 0.008303 -0.006042 9C 4s -0.091389 0.095994 -0.208885 0.070445 -0.052866 -0.000702 9C 5s 0.033861 -0.116676 0.059076 0.060330 0.430421 0.212005 9C 1pz 0.152733 -0.034404 0.007667 0.023079 0.000754 0.009174 9C 1px 0.046790 -0.012469 -0.000413 0.008865 0.000337 0.003722 9C 1py 0.106024 -0.032769 -0.005120 0.010289 0.008085 0.003668 9C 2pz -0.763595 0.446385 1.554017 0.457309 0.257982 0.208590 9C 2px -0.187391 0.274643 0.336038 0.171820 0.258510 -0.100721 9C 2py -0.286672 -0.029780 -1.659019 -1.107484 -0.450096 -0.604355 9C 3pz 0.104730 -0.122596 -0.262118 -0.089425 -0.138449 -0.089505 9C 3px 0.045462 0.093604 -0.074620 -0.080162 -0.070863 -0.032167 9C 3py 0.012160 -0.021778 0.273626 0.158826 0.011291 0.089205 9C 1dz2 0.006938 -0.030572 0.171074 0.122489 0.040065 0.075911 9C 1dxz -0.061510 0.095389 0.244496 0.158281 0.091029 0.040062 9C 1dyz -0.004349 -0.091276 -0.109472 -0.030448 -0.034952 0.023018 9C 1dx2y2 -0.053843 0.049413 0.317305 0.141177 0.049456 0.085153 9C 1dxy -0.007638 -0.043298 -0.428473 -0.221907 -0.085953 -0.118846 9C 2dz2 0.198603 0.013633 0.402314 0.283202 0.069180 0.166522 9C 2dxz 0.113337 0.071256 0.825636 0.510229 0.261051 0.210788 9C 2dyz 0.446244 -0.188859 -0.248817 -0.011764 -0.065072 0.046606 9C 2dx2y2 -0.106623 0.064855 0.756983 0.364359 0.074750 0.228554 9C 2dxy 0.266402 -0.226498 -1.113059 -0.530611 -0.222567 -0.279916 9C 1f0 0.093036 -0.126985 -0.789911 -0.387808 -0.118854 -0.223192 9C 1f+1 0.093592 -0.052826 0.290590 0.173933 0.075983 0.079127 9C 1f-1 -0.260799 0.103275 0.084904 0.008230 0.006376 0.015457 9C 1f+2 -0.031296 0.011993 -0.165088 -0.131649 -0.071087 -0.050359 9C 1f-2 0.135200 -0.162557 -0.285878 -0.131096 -0.075647 -0.014674 9C 1f+3 -0.115168 0.020605 -0.342266 -0.230014 -0.092423 -0.125686 9C 1f-3 0.019675 0.027666 0.219664 0.138781 0.079540 0.025979 10H 1s 0.145661 -0.059318 0.062999 0.005134 -0.063389 -0.008903 10H 2s 0.145620 -0.005688 0.115978 -0.002302 -0.166004 -0.041555 10H 3s -0.079640 0.128638 -0.056891 -0.025334 0.066864 -0.021317 10H 1pz 0.015399 0.022088 0.096720 -0.122340 -0.016609 -0.049121 10H 1px -0.115908 0.044276 -0.055045 -0.026599 0.068684 0.005685 10H 1py -0.031785 0.057317 -0.079917 0.137351 -0.037570 0.040596 11H 1s 0.147231 -0.172923 0.421029 -0.690146 0.149998 -0.177324 11H 2s 0.317452 -0.491737 1.055988 -1.732254 0.423501 -0.466756 11H 3s -0.213410 0.066978 -0.273691 0.449880 -0.106904 0.132272 11H 1pz 0.160430 -0.185840 0.307819 -0.491353 0.112918 -0.125310 11H 1px 0.094119 -0.138924 0.295408 -0.487951 0.128053 -0.119014 11H 1py -0.019002 0.090165 -0.284569 0.478737 -0.100903 0.132515 12H 1s 0.043891 0.035445 -0.371084 0.669397 -0.095713 0.256140 12H 2s -0.005345 0.041143 -0.944590 1.702959 -0.248952 0.655586 12H 3s -0.084748 -0.022820 0.209654 -0.391194 0.084354 -0.175999 12H 1pz 0.050836 -0.043191 0.128649 -0.227496 0.028808 -0.081113 12H 1px 0.009002 0.004465 -0.139936 0.255162 -0.023616 0.109022 12H 1py 0.029795 0.009321 -0.408190 0.746980 -0.121067 0.287050 13H 1s -0.055038 0.010407 -0.051630 0.013317 0.040159 -0.042023 13H 2s 0.032300 0.099499 -0.112365 -0.015522 0.053230 -0.099943 13H 3s 0.024892 0.056453 0.009857 -0.003625 -0.038699 -0.009711 13H 1pz 0.016530 0.059267 -0.022638 -0.042430 -0.059115 0.059933 13H 1px 0.032835 0.006883 0.049958 -0.027812 -0.102217 0.095524 13H 1py -0.013609 -0.026509 0.028779 -0.041856 -0.107515 0.128289 14H 1s -0.043512 0.045765 0.083986 -0.217750 -0.456576 0.581069 14H 2s -0.035632 0.048479 0.226835 -0.555882 -1.169198 1.487980 14H 3s 0.065509 -0.014680 -0.051011 0.093630 0.253901 -0.320460 14H 1pz -0.011192 0.021351 0.052202 -0.149573 -0.324948 0.393668 14H 1px -0.034031 0.016090 0.090856 -0.209278 -0.427414 0.568909 14H 1py 0.028444 0.031026 0.019138 -0.064311 -0.128445 0.155883 15H 1s -0.160187 -0.179004 -0.055641 0.256720 0.571106 -0.539300 15H 2s -0.399135 -0.504385 -0.141159 0.619305 1.437196 -1.346328 15H 3s 0.197852 0.043252 0.026690 -0.174431 -0.383863 0.390551 15H 1pz 0.074139 0.143284 0.044199 -0.217309 -0.485762 0.465553 15H 1px -0.056689 -0.042281 0.003075 0.024638 0.062474 -0.035302 15H 1py 0.190342 0.200343 0.054409 -0.216940 -0.487211 0.451693 16H 1s -0.115259 -0.030157 -0.007269 0.000547 -0.003434 -0.003965 16H 2s -0.261549 0.011758 -0.001751 -0.041640 -0.008484 0.014836 16H 3s 0.005486 0.018237 -0.001525 -0.010556 0.001414 -0.019040 16H 1pz -0.162724 -0.026743 -0.001663 -0.015312 -0.006735 0.000228 16H 1px 0.029472 -0.041787 0.003269 0.010794 0.008295 0.014595 16H 1py -0.080942 -0.010702 -0.001708 -0.005411 -0.011884 0.000393 17H 1s 0.110212 -0.058613 0.009284 0.003022 0.000805 0.024483 17H 2s 0.171877 -0.047852 0.003495 0.010638 0.054101 0.025860 17H 3s -0.006624 0.004932 0.004949 -0.007482 0.004869 0.012281 17H 1pz -0.067402 0.059997 -0.001604 -0.005218 -0.006186 -0.020557 17H 1px -0.099135 0.017054 -0.002428 0.002461 -0.009263 -0.019047 17H 1py 0.090687 -0.040124 0.004487 0.004895 0.002349 0.012553 18H 1s 0.107703 -0.058043 -0.006370 0.008499 0.002404 0.024782 18H 2s 0.175264 -0.044857 0.000150 0.010275 -0.049845 0.032168 18H 3s -0.007709 0.004368 -0.008112 -0.004195 -0.002941 0.013339 18H 1pz 0.069680 -0.060488 0.000784 0.005589 -0.003465 0.021229 18H 1px 0.100051 -0.016065 -0.003938 -0.000650 -0.006574 0.019815 18H 1py -0.086584 0.037875 0.001653 -0.006924 0.000477 -0.011999 19H 1s -0.115733 -0.030884 0.006678 -0.003949 0.002765 -0.004438 19H 2s -0.254306 0.011814 -0.018134 -0.037279 0.009507 0.010746 19H 3s 0.004571 0.018068 -0.003960 -0.009878 -0.003783 -0.017900 19H 1pz 0.158178 0.026959 0.005503 0.014243 -0.006207 0.001383 19H 1px -0.029517 0.041317 -0.002295 -0.011367 0.006175 -0.015954 19H 1py 0.084818 0.012121 0.001111 0.005970 -0.011780 0.001660 20H 1s -0.158945 -0.178626 0.169265 0.190090 -0.653105 -0.441393 20H 2s -0.398368 -0.504004 0.413003 0.455473 -1.643500 -1.100404 20H 3s 0.196611 0.044008 -0.104636 -0.135322 0.442064 0.322972 20H 1pz -0.073908 -0.142641 0.140773 0.162834 -0.557759 -0.382984 20H 1px 0.058197 0.043891 -0.010560 -0.024885 0.073674 0.027274 20H 1py -0.189132 -0.200396 0.148745 0.156069 -0.555136 -0.367951 21H 1s -0.045258 0.044564 -0.174478 -0.139443 0.546315 0.510474 21H 2s -0.046581 0.045880 -0.455415 -0.348535 1.398221 1.307436 21H 3s 0.067685 -0.014808 0.086535 0.051463 -0.305371 -0.283199 21H 1pz 0.013877 -0.020192 0.116348 0.099913 -0.389247 -0.345826 21H 1px 0.037921 -0.014920 0.175379 0.127242 -0.512999 -0.502221 21H 1py -0.028891 -0.031475 0.047302 0.044816 -0.153963 -0.136731 22H 1s -0.053804 0.008753 0.050144 -0.019135 -0.044260 -0.036379 22H 2s 0.037471 0.099471 0.086449 -0.080420 -0.064912 -0.096218 22H 3s 0.023400 0.058400 -0.010517 0.004805 0.036495 -0.017224 22H 1pz -0.017837 -0.059265 0.001791 0.050362 -0.070659 -0.050194 22H 1px -0.031289 -0.007552 0.055258 -0.005971 -0.114141 -0.078555 22H 1py 0.014990 0.027558 0.044073 0.019137 -0.126343 -0.111004 23H 1s 0.047174 0.028408 0.675775 0.379240 0.129656 0.230158 23H 2s -0.000704 0.022546 1.718715 0.962899 0.334001 0.589168 23H 3s -0.090637 -0.019708 -0.391545 -0.227062 -0.107525 -0.157579 23H 1pz -0.052943 0.042770 0.235702 0.129017 0.040095 0.074102 23H 1px -0.009021 -0.001625 -0.246937 -0.140152 -0.036300 -0.098304 23H 1py -0.033617 -0.000043 -0.751677 -0.427858 -0.158848 -0.257305 24H 1s 0.145664 -0.167111 -0.726404 -0.364221 -0.170990 -0.138741 24H 2s 0.308007 -0.477225 -1.824084 -0.916213 -0.479752 -0.362368 24H 3s -0.212072 0.065635 0.470750 0.236045 0.122157 0.104550 24H 1pz -0.159093 0.181705 0.523091 0.254239 0.127344 0.096520 24H 1px -0.092568 0.136656 0.521446 0.263664 0.144250 0.090050 24H 1py 0.015149 -0.083787 -0.489690 -0.253215 -0.114922 -0.105258 25H 1s 0.150337 -0.062040 -0.051387 0.043193 0.061403 -0.016603 25H 2s 0.151131 -0.006501 -0.100495 0.068081 0.157293 -0.065031 25H 3s -0.083575 0.131817 0.036836 -0.057811 -0.069855 -0.012677 25H 1pz -0.014851 -0.023913 0.146375 0.050110 -0.010153 0.048422 25H 1px 0.119229 -0.045631 -0.030189 0.058893 0.067372 -0.013758 25H 1py 0.033617 -0.057333 -0.142664 -0.075137 -0.041724 -0.032165 26O 1s 0.007792 -0.010494 0.004688 -0.000938 -0.002673 -0.001423 26O 2s 0.026881 -0.036964 0.019828 -0.006332 -0.009948 -0.007024 26O 3s -0.134026 0.344001 -0.271163 0.148584 0.097033 0.108188 26O 4s -0.268523 -0.936710 0.839843 -0.615804 -0.232073 -0.337110 26O 5s 0.147955 1.470572 0.570389 -0.594969 0.151764 -0.653943 26O 1pz 0.071833 -0.085707 0.021503 -0.003391 0.002438 0.015850 26O 1px 0.047545 -0.062768 0.082086 -0.053997 -0.024342 -0.039209 26O 1py 0.056661 -0.075656 0.021417 0.015762 -0.019456 0.000248 26O 2pz -0.178863 0.309057 -0.089202 0.017670 -0.020596 -0.054708 26O 2px 0.322688 0.184706 -0.574921 0.502975 0.093195 0.289360 26O 2py 0.039209 0.245589 -0.180370 0.057795 0.068231 0.043426 26O 3pz 0.550803 0.504881 0.027369 -0.042053 0.059155 -0.133489 26O 3px 0.342743 -0.120133 -0.254066 0.264121 -0.067715 0.130968 26O 3py 0.439876 0.255498 -0.029815 0.044380 -0.071095 -0.040627 26O 1dz2 -0.029804 0.005984 0.003354 -0.004186 0.009122 -0.003269 26O 1dxz 0.004019 0.000993 0.003518 -0.005283 -0.003547 -0.007676 26O 1dyz -0.016802 -0.000328 0.008935 -0.007364 -0.002291 0.001738 26O 1dx2y2 0.025646 -0.008429 -0.006427 0.008033 0.003216 0.002478 26O 1dxy 0.022582 -0.006414 -0.006682 0.011691 0.002713 0.005597 26O 2dz2 0.118773 0.063459 -0.109020 0.108869 0.019268 0.041436 26O 2dxz 0.179816 -0.110117 0.015986 0.035822 -0.006300 0.022747 26O 2dyz 0.152463 0.002164 0.018876 0.009760 -0.002289 -0.001139 26O 2dx2y2 -0.158141 -0.013970 0.152002 -0.163953 -0.012402 -0.079201 26O 2dxy 0.011468 -0.068528 0.079129 -0.019701 -0.019894 -0.021357 26O 1f0 0.000304 0.014890 0.007963 -0.018616 -0.007587 -0.010255 26O 1f+1 -0.014328 -0.004560 -0.040156 0.065102 -0.006672 0.028971 26O 1f-1 0.028707 0.063817 -0.019671 0.025221 -0.012964 -0.005698 26O 1f+2 -0.022645 -0.009169 -0.021060 0.041713 -0.004163 0.026231 26O 1f-2 0.025386 -0.021174 0.008408 -0.006798 -0.004651 -0.003092 26O 1f+3 -0.004962 0.000950 0.006464 -0.017581 0.007195 -0.003794 26O 1f-3 -0.023774 0.002973 0.018930 -0.042851 0.012745 -0.012185 27O 1s -0.007350 -0.007301 0.000842 0.002223 0.005403 -0.004356 27O 2s -0.025771 -0.025372 0.002060 0.011166 0.023817 -0.021158 27O 3s 0.152199 0.246481 0.004125 -0.189078 -0.357862 0.342261 27O 4s 0.056784 -0.768716 -0.077287 0.713975 1.183138 -1.199178 27O 5s 0.310510 1.362819 -0.498698 0.417201 0.893501 -1.090150 27O 1pz -0.030438 -0.035246 0.000739 -0.018198 -0.023062 0.041489 27O 1px -0.048539 -0.055396 -0.028011 0.063688 0.097243 -0.101190 27O 1py 0.059698 0.071868 0.017436 -0.021832 -0.034343 0.005559 27O 2pz 0.095801 0.123298 -0.021035 0.091914 0.131626 -0.214883 27O 2px -0.276647 0.203092 0.178088 -0.513590 -0.827485 0.869771 27O 2py -0.078885 -0.262955 -0.070512 0.117283 0.203672 -0.081921 27O 3pz -0.123785 0.314879 -0.059731 -0.007762 0.123104 -0.138395 27O 3px -0.382478 0.031926 0.140844 -0.231913 -0.406660 0.415850 27O 3py 0.349650 -0.531181 0.069530 0.033484 -0.000629 0.039913 27O 1dz2 0.014403 0.000081 0.002178 0.007238 0.008488 -0.011580 27O 1dxz 0.004487 0.005089 -0.003128 0.002623 0.001613 -0.005870 27O 1dyz -0.018690 0.004846 0.001447 0.002878 -0.009895 -0.002733 27O 1dx2y2 -0.033271 -0.005148 0.001367 -0.010335 -0.017343 0.018029 27O 1dxy 0.000892 0.001649 0.003581 -0.000536 -0.004865 0.008514 27O 2dz2 -0.022510 0.012915 0.023525 -0.062942 -0.116457 0.110145 27O 2dxz -0.106548 0.000494 0.023798 -0.068568 -0.113712 0.148264 27O 2dyz 0.047931 -0.059211 0.000527 0.021140 0.006511 -0.014003 27O 2dx2y2 0.133749 -0.071741 -0.039958 0.148249 0.240627 -0.256565 27O 2dxy 0.107449 0.059910 0.013958 -0.018957 -0.067702 0.008953 27O 1f0 0.005816 -0.034656 0.000021 0.003462 0.001112 0.009334 27O 1f+1 0.015729 -0.014747 -0.005444 0.021930 0.043487 -0.044072 27O 1f-1 -0.003149 -0.027401 0.007285 -0.002655 -0.003975 0.019767 27O 1f+2 0.019074 -0.046361 0.004842 -0.004143 -0.001004 0.027373 27O 1f-2 0.024355 0.005848 0.000613 -0.000774 -0.008186 0.017804 27O 1f+3 0.007104 0.020134 0.002858 -0.031846 -0.057011 0.064637 27O 1f-3 -0.004632 -0.020868 0.003288 -0.006789 -0.003704 0.021564 28O 1s 0.008568 -0.009721 0.000964 0.003882 -0.001289 0.003089 28O 2s 0.028079 -0.031292 0.004874 0.011650 -0.002552 0.010797 28O 3s -0.121347 0.240386 -0.085665 -0.050677 -0.026824 -0.102733 28O 4s -0.300288 -0.608200 0.253771 -0.015693 0.227149 0.304939 28O 5s 0.227902 1.496664 0.075733 -0.171730 0.528077 -0.244531 28O 1pz 0.061250 -0.067774 -0.005520 0.036005 0.029951 0.035409 28O 1px -0.039974 0.031078 -0.011003 -0.012683 -0.022690 -0.023734 28O 1py 0.021993 -0.040026 0.023637 -0.030895 0.012297 -0.010551 28O 2pz 0.212915 0.094123 -0.077554 0.022689 -0.213064 -0.108413 28O 2px -0.269011 0.012763 0.118099 -0.079005 0.214378 0.104284 28O 2py 0.029519 0.094965 -0.110395 0.157760 -0.051181 0.050745 28O 3pz 0.629651 0.436364 -0.110862 0.003590 -0.006870 -0.100712 28O 3px -0.095559 0.327971 0.028642 -0.034277 0.164691 -0.014509 28O 3py 0.368983 0.358352 0.003752 -0.101841 0.023894 -0.147648 28O 1dz2 0.006945 -0.013006 -0.000338 0.002484 0.003962 0.004522 28O 1dxz -0.043071 0.018940 0.014723 -0.024261 0.007698 -0.005268 28O 1dyz -0.007085 -0.009213 -0.004316 0.012235 -0.001606 0.003054 28O 1dx2y2 0.016117 -0.006235 0.007383 -0.008021 0.001621 -0.004688 28O 1dxy -0.017865 0.003724 0.009268 -0.011779 -0.002970 -0.004614 28O 2dz2 0.067744 0.040509 0.012374 0.005975 -0.002376 -0.020344 28O 2dxz 0.135559 -0.002595 -0.060491 0.046344 -0.070499 -0.021580 28O 2dyz 0.081862 0.061296 0.038752 -0.048598 0.003332 -0.039963 28O 2dx2y2 -0.121649 -0.005364 0.029980 -0.019587 0.052681 0.032288 28O 2dxy 0.017896 0.010562 -0.037124 0.055453 -0.011470 0.018910 28O 1f0 -0.007897 -0.011058 0.010152 -0.014577 -0.003364 -0.009243 28O 1f+1 0.015329 -0.009402 0.009984 -0.031208 0.009293 -0.003792 28O 1f-1 0.055208 0.017978 0.000019 -0.000045 -0.007645 -0.007735 28O 1f+2 0.007560 -0.021876 0.033117 -0.052773 0.005497 -0.009366 28O 1f-2 0.022421 0.030738 -0.021900 0.021778 0.002390 0.007425 28O 1f+3 0.030373 0.010136 -0.031583 0.058468 -0.004488 0.016077 28O 1f-3 0.010779 -0.021128 -0.012584 0.026544 -0.001459 0.014220 29O 1s -0.001115 -0.005658 0.000472 0.000387 0.001807 0.002086 29O 2s -0.003693 -0.018575 0.001568 0.001444 0.006234 0.006794 29O 3s 0.024949 0.129178 -0.012969 -0.014663 -0.057134 -0.050503 29O 4s -0.038662 -0.115537 0.025312 0.022895 0.138102 0.070793 29O 5s 0.109153 0.008738 -0.039415 0.029443 -0.224122 -0.071674 29O 1pz 0.080478 0.033252 0.002461 -0.001717 -0.000952 0.001249 29O 1px 0.014525 -0.124701 0.005364 0.010998 0.007252 0.037050 29O 1py -0.000802 0.001147 -0.000280 0.007734 -0.001104 -0.006687 29O 2pz -0.374384 -0.066318 -0.006407 -0.009647 -0.008588 -0.013642 29O 2px -0.088102 0.316425 -0.013145 -0.026830 -0.024400 -0.100588 29O 2py 0.008283 -0.037242 0.002282 -0.021398 -0.000373 0.025596 29O 3pz -0.042872 0.027245 -0.014678 -0.025351 -0.041940 0.001448 29O 3px -0.034339 -0.020412 0.005157 -0.002870 0.044498 0.030807 29O 3py -0.018011 0.016596 0.005125 0.005544 0.041206 0.008933 29O 1dz2 -0.000342 0.003608 -0.002047 -0.000729 -0.002539 -0.003246 29O 1dxz 0.005201 0.002930 0.003794 0.000652 0.001503 0.001368 29O 1dyz 0.009254 0.001819 0.002512 0.000345 0.004019 0.000455 29O 1dx2y2 0.001908 -0.015809 0.002430 0.000859 0.003423 0.006472 29O 1dxy 0.006457 -0.009676 0.003192 0.002370 -0.003946 -0.000291 29O 2dz2 0.102518 0.039992 -0.000068 0.005565 0.004917 -0.008220 29O 2dxz -0.066207 0.064687 -0.000858 -0.003277 -0.002671 -0.016813 29O 2dyz 0.170586 -0.003210 0.007238 0.008228 0.012250 0.013011 29O 2dx2y2 -0.030880 -0.075607 0.002639 0.002055 0.003522 0.019597 29O 2dxy 0.066966 -0.070321 0.006109 0.007750 0.003137 0.018744 29O 1f0 0.006993 -0.003744 -0.000441 0.001399 0.004369 0.001029 29O 1f+1 0.019375 0.002976 -0.002717 0.001727 -0.003492 -0.002651 29O 1f-1 0.021099 0.008892 0.001531 0.001536 -0.001734 -0.001828 29O 1f+2 -0.008934 0.020041 0.002684 -0.001316 -0.002105 -0.009044 29O 1f-2 -0.027795 0.015097 -0.003981 -0.001643 0.002361 -0.005877 29O 1f+3 0.012281 0.031771 -0.002976 -0.001657 -0.003795 -0.010493 29O 1f-3 0.006970 -0.001804 -0.002954 -0.002105 0.008989 0.005456 30O 1s -0.008684 -0.008428 0.001593 -0.004902 0.000998 0.007229 30O 2s -0.030562 -0.028547 0.005337 -0.018672 0.007254 0.024967 30O 3s 0.209104 0.267807 -0.046499 0.187690 -0.167256 -0.212318 30O 4s -0.176617 -0.841679 0.126403 -0.447215 0.589435 0.506744 30O 5s 0.218955 1.313370 -0.272735 -0.246497 0.296781 -0.053625 30O 1pz -0.045991 -0.058292 -0.000669 -0.024307 0.037751 0.012902 30O 1px 0.015505 0.014141 -0.005052 0.053698 -0.006835 -0.067739 30O 1py 0.067858 0.063332 -0.002694 0.029845 -0.004124 -0.059978 30O 2pz -0.058033 0.199475 0.005605 0.088267 -0.303695 0.007623 30O 2px 0.151076 -0.079526 0.027859 -0.234914 0.218945 0.246212 30O 2py 0.017116 -0.213135 -0.004947 -0.108831 0.213596 0.128749 30O 3pz -0.281346 0.281348 0.069448 -0.014393 -0.017168 -0.227390 30O 3px 0.047927 0.333093 -0.072747 -0.049940 0.111003 -0.004341 30O 3py 0.344191 -0.506343 0.005608 -0.002718 0.104345 0.187715 30O 1dz2 -0.002530 0.004030 0.006535 -0.008217 -0.012611 0.015182 30O 1dxz 0.022733 0.007535 0.005557 -0.003482 0.008822 -0.006023 30O 1dyz 0.004932 0.010793 -0.005601 0.002818 0.016072 -0.019172 30O 1dx2y2 -0.005688 0.007479 0.000650 0.005297 0.006674 -0.014544 30O 1dxy -0.036666 -0.004385 0.005637 -0.009600 -0.021963 0.019278 30O 2dz2 -0.013402 -0.016406 -0.004709 0.031215 0.006348 -0.052046 30O 2dxz -0.069873 0.066115 0.008046 0.027831 -0.110059 -0.017342 30O 2dyz 0.051256 -0.034070 0.011676 0.020671 -0.106561 0.044423 30O 2dx2y2 0.106752 -0.046760 0.018611 -0.021690 0.007739 0.063223 30O 2dxy 0.033579 -0.069587 0.006949 -0.046927 0.097287 0.039330 30O 1f0 0.029359 -0.032030 -0.005403 0.027864 0.038388 -0.042944 30O 1f+1 -0.009263 -0.011553 0.002798 -0.013993 -0.027781 0.041713 30O 1f-1 0.002534 -0.002356 0.003387 0.010173 0.019409 -0.020670 30O 1f+2 0.014635 -0.021697 0.000320 -0.003189 -0.003262 0.021928 30O 1f-2 -0.001789 -0.035764 -0.005621 0.015370 0.052360 -0.043615 30O 1f+3 -0.036306 0.003145 0.006913 -0.004396 0.002727 -0.000700 30O 1f-3 -0.002243 0.018670 0.001522 -0.011962 -0.005348 0.011605 31O 1s -0.008761 -0.008465 -0.003723 -0.003335 -0.000061 0.007450 31O 2s -0.030927 -0.028616 -0.013598 -0.013052 -0.004064 0.026486 31O 3s 0.214272 0.266793 0.131539 0.134069 0.140962 -0.246431 31O 4s -0.197455 -0.835847 -0.329354 -0.306583 -0.529024 0.628026 31O 5s 0.233552 1.316266 0.113670 -0.344525 -0.309786 0.010250 31O 1pz 0.047546 0.058591 0.011567 0.019908 0.037328 -0.019995 31O 1px -0.016097 -0.014357 -0.030379 -0.042253 0.001386 0.069711 31O 1py -0.069278 -0.063933 -0.016407 -0.023059 0.003870 0.061901 31O 2pz 0.052395 -0.197346 -0.040593 -0.072746 -0.310494 0.051462 31O 2px -0.144552 0.076718 0.139508 0.179475 0.190580 -0.293737 31O 2py -0.012820 0.211677 0.049555 0.091289 0.197353 -0.174656 31O 3pz 0.277321 -0.282005 0.067582 -0.027671 0.014094 0.229929 31O 3px -0.051990 -0.334408 -0.038514 0.077534 0.114091 -0.019792 31O 3py -0.332204 0.504423 0.006692 -0.000607 0.081411 -0.206721 31O 1dz2 -0.002833 0.004044 -0.009535 -0.003337 0.014724 0.013228 31O 1dxz 0.022612 0.007929 -0.006599 0.000224 -0.009567 -0.003861 31O 1dyz 0.004680 0.011008 0.005815 -0.000717 -0.018900 -0.016513 31O 1dx2y2 -0.005598 0.007731 0.001878 0.004701 -0.008298 -0.013160 31O 1dxy -0.037176 -0.004642 -0.009210 -0.004919 0.024465 0.015228 31O 2dz2 -0.013193 -0.016670 0.019124 0.023788 -0.014074 -0.052251 31O 2dxz -0.067787 0.064944 0.007380 0.026882 0.109455 -0.038495 31O 2dyz 0.050490 -0.035231 0.000397 0.023687 0.113098 0.023947 31O 2dx2y2 0.104830 -0.046370 -0.026573 -0.007081 -0.000359 0.065821 31O 2dxy 0.030627 -0.067862 -0.029448 -0.035178 -0.092502 0.059496 31O 1f0 -0.029783 0.031516 -0.017735 -0.020858 0.044250 0.036235 31O 1f+1 0.009222 0.011717 0.009070 0.010570 -0.034133 -0.037078 31O 1f-1 -0.002473 0.002229 -0.001994 -0.010795 0.022890 0.017356 31O 1f+2 -0.014731 0.021659 0.002124 0.002508 -0.006489 -0.021628 31O 1f-2 0.001624 0.035366 -0.011967 -0.009876 0.058934 0.034832 31O 1f+3 0.036829 -0.002961 0.007777 -0.000642 0.004027 0.000582 31O 1f-3 0.002415 -0.018733 0.007152 0.009252 -0.007047 -0.011117 32O 1s -0.001234 -0.005618 -0.000244 0.000603 -0.001502 0.002379 32O 2s -0.004072 -0.018446 -0.000735 0.002141 -0.005231 0.007819 32O 3s 0.028018 0.128197 0.004784 -0.020065 0.049474 -0.060272 32O 4s -0.043112 -0.113193 -0.012164 0.034270 -0.126546 0.095013 32O 5s 0.108185 0.002497 0.050315 0.002832 0.211982 -0.107895 32O 1pz -0.080643 -0.033125 0.003140 -0.000152 -0.001101 -0.001372 32O 1px -0.011704 0.124511 -0.000606 -0.012747 0.002285 -0.037912 32O 1py -0.000367 -0.000727 -0.003875 -0.006528 -0.000252 0.006560 32O 2pz 0.372959 0.065925 -0.002025 0.012728 -0.006491 0.015942 32O 2px 0.081708 -0.315531 0.000994 0.031053 -0.010792 0.103130 32O 2py -0.001259 0.035398 0.012311 0.017441 -0.003824 -0.023727 32O 3pz 0.041663 -0.025781 -0.000545 0.029428 -0.041869 0.006336 32O 3px 0.034729 0.019105 0.005948 -0.001653 0.040141 -0.038114 32O 3py 0.016520 -0.017869 0.002130 -0.006095 0.038715 -0.014329 32O 1dz2 -0.000056 0.003486 0.001412 -0.001889 0.002235 -0.003713 32O 1dxz 0.005379 0.003177 -0.002932 0.002682 -0.001226 0.001785 32O 1dyz 0.009363 0.001698 -0.001986 0.001716 -0.003826 0.001286 32O 1dx2y2 0.001145 -0.015670 -0.001638 0.002017 -0.002412 0.007113 32O 1dxy 0.005935 -0.009764 -0.001664 0.004089 0.003843 -0.000725 32O 2dz2 0.095705 0.040841 0.002631 0.004376 -0.005387 -0.007799 32O 2dxz -0.068412 0.065224 -0.000592 -0.003807 0.000651 -0.017280 32O 2dyz 0.172074 -0.002155 -0.002647 0.011720 -0.010424 0.015216 32O 2dx2y2 -0.035623 -0.074823 -0.001247 0.002815 -0.000580 0.019453 32O 2dxy 0.062682 -0.069477 -0.001766 0.010306 -0.000523 0.018751 32O 1f0 -0.005906 0.004045 -0.001082 -0.000762 0.004217 -0.001834 32O 1f+1 -0.020147 -0.002554 -0.002955 -0.000012 -0.003207 0.003216 32O 1f-1 -0.021307 -0.009538 0.000597 -0.002313 -0.001294 0.002441 32O 1f+2 0.008861 -0.019293 0.002801 -0.000329 -0.000764 0.008859 32O 1f-2 0.027124 -0.014332 -0.002651 0.003798 0.003053 0.005437 32O 1f+3 -0.011818 -0.032331 -0.001851 0.003230 -0.002356 0.011796 32O 1f-3 -0.007404 0.001459 -0.001589 0.003755 0.008170 -0.006984 33O 1s 0.008775 -0.009838 0.000941 0.003883 0.001678 0.002855 33O 2s 0.028538 -0.031555 0.001114 0.012838 0.003972 0.010381 33O 3s -0.119361 0.239088 0.050647 -0.094554 0.011695 -0.109550 33O 4s -0.320181 -0.597052 -0.225671 0.139279 -0.178587 0.351233 33O 5s 0.220867 1.511266 -0.143296 -0.098656 -0.554997 -0.150024 33O 1pz -0.060736 0.068025 -0.022831 -0.028605 0.024498 -0.039996 33O 1px 0.040373 -0.031192 -0.004878 0.016934 -0.019306 0.027328 33O 1py -0.021736 0.039865 0.037047 0.013707 0.013837 0.007912 33O 2pz -0.223766 -0.086239 -0.070668 0.031666 -0.192381 0.148079 33O 2px 0.280951 -0.020982 0.142068 -0.002133 0.195937 -0.143861 33O 2py -0.031749 -0.092192 -0.176742 -0.073927 -0.057726 -0.038594 33O 3pz -0.642301 -0.434596 -0.100566 0.061380 0.005652 0.102742 33O 3px 0.100696 -0.333647 0.037832 0.010720 0.164749 -0.015013 33O 3py -0.375617 -0.359549 0.055559 0.086851 0.043433 0.144015 33O 1dz2 0.007548 -0.013261 0.000438 0.001238 -0.003594 0.004935 33O 1dxz -0.043998 0.019886 -0.024092 -0.012174 -0.008032 -0.003100 33O 1dyz -0.006399 -0.009543 0.009806 0.008249 0.001928 0.002630 33O 1dx2y2 0.016336 -0.006245 -0.010592 -0.002959 -0.002325 -0.004012 33O 1dxy -0.018286 0.004209 -0.013395 -0.004468 0.002496 -0.004675 33O 2dz2 0.067305 0.041411 -0.004753 0.013866 0.000007 -0.019425 33O 2dxz 0.143445 -0.007361 0.072381 0.002518 0.065423 -0.036120 33O 2dyz 0.082465 0.062412 -0.057816 -0.019301 -0.008701 -0.037419 33O 2dx2y2 -0.126240 -0.002822 -0.035240 0.000882 -0.047279 0.042339 33O 2dxy 0.019681 0.009277 0.060404 0.026887 0.014011 0.015421 33O 1f0 0.008182 0.010870 0.016569 0.006928 -0.001933 0.009474 33O 1f+1 -0.015699 0.009454 0.026518 0.022590 0.009956 0.002477 33O 1f-1 -0.056066 -0.017103 0.002376 0.001032 -0.006106 0.009489 33O 1f+2 -0.007014 0.021150 0.056382 0.027221 0.006608 0.007647 33O 1f-2 -0.022602 -0.030050 -0.028972 -0.005685 0.001694 -0.006777 33O 1f+3 -0.030909 -0.009317 -0.057092 -0.032655 -0.006378 -0.014310 33O 1f-3 -0.011262 0.021457 -0.024896 -0.016069 -0.003375 -0.013566 34O 1s -0.007329 -0.007317 0.000384 0.002223 -0.005845 -0.003320 34O 2s -0.025552 -0.025390 0.003742 0.010111 -0.026049 -0.016594 34O 3s 0.147288 0.245196 -0.095320 -0.152399 0.395652 0.273929 34O 4s 0.078099 -0.761189 0.409111 0.547107 -1.319126 -0.975440 34O 5s 0.315195 1.368250 0.627494 0.077205 -1.024177 -0.924563 34O 1pz 0.030042 0.035494 0.009659 0.014754 -0.029041 -0.037883 34O 1px 0.045415 0.055717 -0.055081 -0.037104 0.108537 0.083383 34O 1py -0.057655 -0.072605 0.025654 0.008631 -0.034841 0.000062 34O 2pz -0.097034 -0.124761 -0.062563 -0.064949 0.161574 0.193606 34O 2px 0.293429 -0.198324 0.399010 0.328439 -0.927762 -0.715319 34O 2py 0.073256 0.265058 -0.117244 -0.059451 0.212525 0.046013 34O 3pz 0.128997 -0.316431 -0.046692 0.037448 0.140422 0.115500 34O 3px 0.388415 -0.027019 0.228969 0.119443 -0.455244 -0.339525 34O 3py -0.354540 0.528825 0.044969 -0.069854 -0.006745 -0.041567 34O 1dz2 0.014392 0.000287 0.001718 0.007650 -0.009945 -0.009868 34O 1dxz 0.004721 0.005084 0.003993 0.000286 -0.002207 -0.005710 34O 1dyz -0.018220 0.004734 0.000210 0.003052 0.009575 -0.004665 34O 1dx2y2 -0.033365 -0.005373 -0.006035 -0.007756 0.019569 0.014716 34O 1dxy 0.000944 0.001594 -0.003209 0.001498 0.006128 0.007901 34O 2dz2 -0.024913 0.012188 -0.050227 -0.038561 0.128014 0.087444 34O 2dxz -0.108142 -0.000985 -0.052532 -0.044991 0.133950 0.128905 34O 2dyz 0.049691 -0.058999 0.009421 0.018160 -0.008380 -0.013236 34O 2dx2y2 0.139003 -0.069256 0.104920 0.101588 -0.270759 -0.211479 34O 2dxy 0.106929 0.060936 -0.021752 -0.008154 0.067797 -0.003769 34O 1f0 -0.005719 0.034687 -0.001524 -0.002840 -0.000846 -0.010004 34O 1f+1 -0.015496 0.014472 -0.014867 -0.016053 0.050765 0.037192 34O 1f-1 0.003393 0.027228 0.007279 -0.002187 -0.006882 -0.019560 34O 1f+2 -0.018652 0.046463 0.006131 0.000456 -0.004384 -0.027443 34O 1f-2 -0.024187 -0.005994 0.000960 0.000323 -0.011498 -0.017231 34O 1f+3 -0.006863 -0.019974 0.017639 0.025574 -0.066401 -0.054762 34O 1f-3 0.004685 0.021279 0.005814 0.003806 -0.006079 -0.020657 35O 1s 0.007951 -0.010537 -0.004439 0.002012 0.002485 -0.001601 35O 2s 0.027391 -0.037025 -0.019843 0.006511 0.009063 -0.007530 35O 3s -0.135405 0.341479 0.299365 -0.036484 -0.084603 0.108190 35O 4s -0.274708 -0.921269 -0.997406 -0.019758 0.196299 -0.325228 35O 5s 0.111235 1.489066 -0.755150 -0.158705 -0.230625 -0.589148 35O 1pz -0.074529 0.086594 0.021110 -0.009394 0.000190 -0.016820 35O 1px -0.048657 0.062381 0.095422 -0.003113 -0.019786 0.038625 35O 1py -0.059002 0.076522 0.009090 -0.027876 -0.019711 0.001624 35O 2pz 0.185185 -0.311938 -0.088557 0.036171 -0.012550 0.061145 35O 2px -0.334923 -0.171826 -0.722313 -0.083597 0.061831 -0.270305 35O 2py -0.038696 -0.244789 -0.172455 0.065571 0.065343 -0.042980 35O 3pz -0.540431 -0.504745 0.041100 0.017809 0.076533 0.118896 35O 3px -0.352541 0.130240 -0.337572 -0.071601 -0.080230 -0.105082 35O 3py -0.437755 -0.251887 -0.045348 -0.017327 -0.061687 0.055660 35O 1dz2 -0.030675 0.006348 -0.004440 -0.001197 -0.009195 -0.001210 35O 1dxz 0.004124 0.001055 -0.005624 -0.002462 0.002474 -0.008061 35O 1dyz -0.017703 -0.000094 -0.011260 -0.001094 0.002517 0.001660 35O 1dx2y2 0.026249 -0.008742 0.008960 0.002966 -0.002970 0.002581 35O 1dxy 0.022953 -0.006610 0.011474 0.006193 -0.001971 0.005689 35O 2dz2 0.120526 0.060363 0.144215 0.028030 -0.015147 0.038638 35O 2dxz 0.183105 -0.112466 0.000731 0.038959 0.008560 0.021656 35O 2dyz 0.152841 0.000945 -0.013385 0.018718 0.001668 -0.001092 35O 2dx2y2 -0.163702 -0.008620 -0.206783 -0.049982 0.003704 -0.072509 35O 2dxy 0.010890 -0.067707 -0.072630 0.034178 0.018729 -0.018900 35O 1f0 0.000126 -0.015288 0.015246 0.011110 -0.006403 0.011114 35O 1f+1 0.014426 0.005099 -0.068902 -0.034011 -0.010406 -0.026435 35O 1f-1 -0.029125 -0.063567 -0.030333 -0.010730 -0.011916 0.008485 35O 1f+2 0.022934 0.009654 -0.039900 -0.024519 -0.007627 -0.024740 35O 1f-2 -0.026133 0.021491 0.012567 0.002009 -0.003981 0.004124 35O 1f+3 0.004830 -0.000872 0.016246 0.012372 0.007787 0.002825 35O 1f-3 0.024837 -0.003766 0.038891 0.027079 0.014310 0.009691 594 595 596 597 598 599 4.44953 4.45169 4.45300 4.46379 4.46933 4.47952 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s -0.000605 -0.000521 -0.000654 -0.000523 -0.001187 0.000428 0Rh 2s 0.006112 0.004524 0.006189 0.003368 0.010428 -0.003604 0Rh 3s 0.000037 -0.000411 -0.000213 -0.001122 -0.000867 0.000408 0Rh 4s -0.034807 -0.025927 -0.035183 -0.019750 -0.059585 0.020690 0Rh 5s 0.086319 0.062746 0.084622 0.046303 0.142420 -0.049630 0Rh 6s -0.102361 -0.067907 -0.088225 -0.044457 -0.145393 0.051490 0Rh 7s 0.183125 0.106711 0.142214 0.051841 0.250689 -0.119926 0Rh 8s 0.068793 -0.052799 0.008863 -0.010999 0.047677 0.029921 0Rh 1pz -0.001363 -0.008138 -0.000716 0.000138 -0.000479 0.003966 0Rh 1px -0.000070 -0.002143 0.003621 -0.004109 0.003336 -0.000440 0Rh 1py 0.009738 -0.002312 -0.002561 -0.002399 0.001838 0.004603 0Rh 2pz 0.005426 0.032758 0.002747 -0.000239 0.002012 -0.015905 0Rh 2px 0.000405 0.008609 -0.014519 0.016532 -0.013432 0.001755 0Rh 2py -0.039136 0.009294 0.010410 0.009608 -0.007054 -0.018574 0Rh 3pz -0.013383 -0.088634 -0.004388 -0.007419 -0.007567 0.042693 0Rh 3px -0.003184 -0.022889 0.039549 -0.046361 0.037546 -0.004674 0Rh 3py 0.105194 -0.024853 -0.032069 -0.025908 0.010931 0.053597 0Rh 4pz 0.005445 0.068248 -0.009085 0.044742 0.016373 -0.037301 0Rh 4px 0.007040 0.016265 -0.040888 0.053609 -0.041023 0.004799 0Rh 4py -0.081845 0.017895 0.050194 0.025403 0.027884 -0.068934 0Rh 5pz 0.021587 0.059540 0.038962 -0.123750 -0.032525 -0.002586 0Rh 5px -0.000221 0.016725 0.029718 -0.051744 0.031089 -0.000392 0Rh 5py -0.059596 0.021534 -0.075479 -0.012459 -0.122007 0.079075 0Rh 6pz -0.062085 -0.358762 -0.107383 0.409290 0.244820 0.067244 0Rh 6px -0.010365 0.014168 -0.196194 0.227943 -0.302578 -0.076025 0Rh 6py 0.369590 -0.183034 0.147820 -0.029305 0.508799 -0.192034 0Rh 1dz2 -0.002706 -0.010546 -0.000448 -0.017070 -0.005993 -0.003763 0Rh 1dxz -0.004237 0.011482 0.002906 0.014445 0.001018 -0.002356 0Rh 1dyz 0.005911 -0.002400 -0.011072 -0.006295 -0.019961 -0.005351 0Rh 1dx2y2 0.012984 0.004701 -0.009148 0.010434 -0.006999 -0.000400 0Rh 1dxy -0.008308 0.003651 0.010697 0.004021 0.007912 -0.003944 0Rh 2dz2 -0.000653 -0.001392 -0.000027 -0.001416 -0.000276 -0.000993 0Rh 2dxz -0.000603 0.001840 -0.000173 0.002570 0.000292 -0.000877 0Rh 2dyz -0.000384 -0.000406 -0.001577 -0.000330 -0.001463 -0.002319 0Rh 2dx2y2 0.001668 0.000444 -0.000648 0.000205 -0.000695 0.000385 0Rh 2dxy -0.002099 0.000304 0.000804 0.000065 0.001855 -0.003662 0Rh 3dz2 0.014170 0.049743 0.002287 0.076787 0.025965 0.020310 0Rh 3dxz 0.020233 -0.055626 -0.011248 -0.071219 -0.005495 0.013796 0Rh 3dyz -0.022307 0.011834 0.053502 0.027740 0.088988 0.033249 0Rh 3dx2y2 -0.060976 -0.021330 0.040705 -0.043755 0.032006 -0.000073 0Rh 3dxy 0.043805 -0.016351 -0.047377 -0.016797 -0.040915 0.033565 0Rh 4dz2 -0.026487 -0.084218 -0.005760 -0.121907 -0.040543 -0.039455 0Rh 4dxz -0.034388 0.095852 0.017072 0.119194 0.009160 -0.026855 0Rh 4dyz 0.027938 -0.021159 -0.094175 -0.046535 -0.142530 -0.071910 0Rh 4dx2y2 0.102006 0.034940 -0.065519 0.064404 -0.051429 0.001819 0Rh 4dxy -0.081052 0.026290 0.072093 0.024718 0.066952 -0.079195 0Rh 5dz2 0.055609 0.144758 -0.030578 0.083415 0.056634 0.068708 0Rh 5dxz 0.043461 -0.176757 -0.033517 -0.066935 0.006154 0.040638 0Rh 5dyz -0.011246 0.021835 -0.003348 0.052630 0.191149 0.168636 0Rh 5dx2y2 -0.155728 -0.064366 0.051079 -0.041404 0.041234 0.014536 0Rh 5dxy 0.181869 -0.054281 -0.088461 -0.029273 0.040091 0.142386 0Rh 1f0 0.013953 0.002124 0.001146 -0.006773 0.016619 -0.006196 0Rh 1f+1 0.000002 -0.006170 0.010205 0.009459 0.001393 -0.001353 0Rh 1f-1 0.014481 -0.021894 -0.005005 0.017076 0.020759 -0.002213 0Rh 1f+2 0.010338 0.015154 -0.000078 -0.020625 0.003535 -0.004623 0Rh 1f-2 0.009959 -0.003093 0.028920 0.005629 0.010935 -0.006851 0Rh 1f+3 -0.008072 -0.009528 -0.008883 0.012064 -0.010140 0.001104 0Rh 1f-3 0.009048 -0.001543 -0.008554 -0.005529 0.009666 0.008816 1Rh 1s -0.000690 -0.000559 0.000574 0.000553 0.001198 0.000444 1Rh 2s 0.006922 0.004937 -0.005346 -0.003681 -0.010514 -0.003755 1Rh 3s 0.000011 -0.000395 0.000233 0.001112 0.000882 0.000414 1Rh 4s -0.039411 -0.028262 0.030389 0.021538 0.060083 0.021550 1Rh 5s 0.097403 0.068438 -0.072676 -0.050817 -0.143589 -0.051679 1Rh 6s -0.113945 -0.074114 0.073831 0.050148 0.146495 0.053487 1Rh 7s 0.200564 0.115995 -0.115243 -0.064256 -0.253760 -0.123371 1Rh 8s 0.068294 -0.049629 0.001162 0.012859 -0.045957 0.029701 1Rh 1pz 0.001431 0.008139 -0.000592 -0.000222 -0.000627 -0.003959 1Rh 1px -0.000359 0.001907 0.003511 -0.004126 0.003353 0.000604 1Rh 1py -0.009447 0.002118 -0.003632 -0.002471 0.001510 -0.004766 1Rh 2pz -0.005680 -0.032744 0.002261 0.001205 0.002606 0.015877 1Rh 2px 0.001318 -0.007662 -0.014098 0.016608 -0.013503 -0.002411 1Rh 2py 0.037944 -0.008513 0.014713 0.009899 -0.005734 0.019214 1Rh 3pz 0.013655 0.088211 -0.003329 -0.011184 -0.009187 -0.042585 1Rh 3px -0.001507 0.020348 0.038736 -0.046692 0.037749 0.006383 1Rh 3py -0.101307 0.022652 -0.043504 -0.026668 0.007331 -0.055025 1Rh 4pz -0.003875 -0.066088 -0.009050 0.047086 0.017915 0.037132 1Rh 4px -0.002178 -0.013797 -0.040883 0.054148 -0.041228 -0.006158 1Rh 4py 0.075053 -0.015317 0.058304 0.025856 0.031347 0.068844 1Rh 5pz -0.027124 -0.065280 0.036392 -0.119829 -0.032879 0.002632 1Rh 5px -0.003221 -0.017952 0.029982 -0.051648 0.031003 0.000383 1Rh 5py 0.070632 -0.024016 -0.066138 -0.011457 -0.123004 -0.074691 1Rh 6pz 0.078770 0.377094 -0.105839 0.393967 0.242943 -0.066363 1Rh 6px 0.026965 -0.011769 -0.193643 0.227561 -0.300251 0.068908 1Rh 6py -0.391968 0.190670 0.097303 -0.034494 0.509420 0.166255 1Rh 1dz2 -0.002605 -0.009537 0.000261 0.017827 0.005966 -0.003799 1Rh 1dxz -0.003846 0.010742 -0.003845 -0.014461 -0.001153 -0.002515 1Rh 1dyz 0.004297 -0.002006 0.011804 0.006409 0.019781 -0.005473 1Rh 1dx2y2 0.011510 0.004136 0.010878 -0.011161 0.007092 -0.000325 1Rh 1dxy -0.006650 0.003531 -0.011509 -0.004207 -0.008115 -0.003677 1Rh 2dz2 -0.000622 -0.001313 -0.000021 0.001501 0.000247 -0.000978 1Rh 2dxz -0.000622 0.001721 0.000033 -0.002577 -0.000331 -0.000879 1Rh 2dyz -0.000568 -0.000375 0.001580 0.000362 0.001323 -0.002341 1Rh 2dx2y2 0.001558 0.000431 0.000862 -0.000284 0.000712 0.000377 1Rh 2dxy -0.001934 0.000295 -0.000973 -0.000064 -0.002011 -0.003602 1Rh 3dz2 0.013646 0.045225 -0.001294 -0.080294 -0.025711 0.020387 1Rh 3dxz 0.018700 -0.052041 0.015762 0.071312 0.006232 0.014463 1Rh 3dyz -0.014759 0.010053 -0.056509 -0.028358 -0.087568 0.033844 1Rh 3dx2y2 -0.054397 -0.018955 -0.048795 0.047105 -0.032462 -0.000354 1Rh 3dxy 0.036270 -0.015826 0.051487 0.017559 0.042489 0.032192 1Rh 4dz2 -0.025718 -0.077038 0.003871 0.127752 0.039849 -0.039501 1Rh 4dxz -0.032033 0.089936 -0.024775 -0.119409 -0.010531 -0.027889 1Rh 4dyz 0.015192 -0.018141 0.098459 0.047722 0.139096 -0.072824 1Rh 4dx2y2 0.091467 0.031396 0.079017 -0.069930 0.052160 0.002336 1Rh 4dxy -0.069298 0.025512 -0.079528 -0.025826 -0.070579 -0.076969 1Rh 5dz2 0.050790 0.139801 0.034905 -0.092326 -0.054726 0.069887 1Rh 5dxz 0.038705 -0.173147 0.044051 0.069830 -0.004171 0.041996 1Rh 5dyz -0.009631 0.020308 -0.000390 -0.054096 -0.183088 0.169894 1Rh 5dx2y2 -0.146954 -0.060990 -0.071233 0.049257 -0.041687 0.011709 1Rh 5dxy 0.169750 -0.052988 0.107134 0.031198 -0.032308 0.144204 1Rh 1f0 -0.014330 -0.002430 -0.000556 -0.006759 0.016521 0.005546 1Rh 1f+1 -0.001061 0.006734 0.009926 0.009377 0.001455 0.001416 1Rh 1f-1 -0.014125 0.022667 -0.007093 0.016223 0.020624 0.001568 1Rh 1f+2 -0.010550 -0.016095 -0.001241 -0.019906 0.003603 0.004256 1Rh 1f-2 -0.013374 0.003789 0.027601 0.005587 0.011140 0.006609 1Rh 1f+3 0.009322 0.010013 -0.008182 0.011810 -0.010063 -0.000653 1Rh 1f-3 -0.008373 0.001204 -0.009607 -0.005365 0.009294 -0.009288 2C 1s -0.000580 0.001980 0.002504 -0.008568 -0.010198 0.001476 2C 2s -0.000444 -0.001350 0.004801 -0.011572 -0.016661 -0.004033 2C 3s -0.005823 0.131787 -0.001418 0.079602 0.070467 0.201684 2C 4s -0.012712 -0.178489 -0.127539 -0.609137 -0.142411 -0.247882 2C 5s -0.481329 1.559294 0.524932 -1.708041 -1.626845 1.517595 2C 1pz 0.005373 0.005625 -0.021120 0.058669 0.057491 0.034365 2C 1px 0.004372 -0.018242 -0.001639 0.050993 0.023459 -0.023492 2C 1py 0.009210 -0.004687 -0.009184 0.034658 0.054378 0.009863 2C 2pz -0.042611 0.554433 0.192640 -1.794786 -1.355249 0.434151 2C 2px 0.508841 -0.421712 -0.966184 -1.497001 0.068391 1.391181 2C 2py -0.140281 0.489873 0.165514 -1.602272 -1.279148 0.707208 2C 3pz -0.145323 0.241422 0.098271 -0.103547 -0.118451 0.204158 2C 3px -0.044181 0.050838 0.221118 0.039900 -0.223149 -0.201343 2C 3py -0.027324 0.102502 0.017852 0.027487 -0.034578 0.057016 2C 1dz2 0.025427 0.015052 -0.017128 -0.240414 -0.141701 0.137697 2C 1dxz -0.127952 0.186596 0.199846 0.045538 -0.184901 -0.174197 2C 1dyz 0.064248 0.016879 -0.093854 -0.348436 -0.129786 0.241023 2C 1dx2y2 0.030776 -0.054248 -0.083367 -0.017360 0.088805 0.105085 2C 1dxy -0.023321 0.056279 0.031180 0.064926 -0.003882 -0.081833 2C 2dz2 -0.016465 0.128216 0.068353 -0.547589 -0.307535 0.191532 2C 2dxz -0.283598 0.427534 0.516333 0.071946 -0.382734 -0.296678 2C 2dyz 0.143092 -0.000457 -0.251554 -1.034291 -0.502894 0.576683 2C 2dx2y2 0.152189 -0.236957 -0.264717 -0.306929 0.158966 0.341902 2C 2dxy 0.011797 0.045765 0.018553 -0.054034 -0.096944 -0.102943 2C 1f0 0.080711 -0.154620 -0.119037 -0.139593 0.115768 0.176437 2C 1f+1 0.019489 0.003349 -0.055535 0.006756 0.080296 0.047529 2C 1f-1 -0.022613 -0.002597 0.073231 0.025251 -0.061702 -0.141819 2C 1f+2 -0.122900 0.246367 0.221840 -0.088221 -0.259916 -0.059030 2C 1f-2 -0.114481 0.055008 0.164357 0.383306 0.113595 -0.329827 2C 1f+3 -0.051158 0.195238 0.099425 -0.344490 -0.314930 0.152811 2C 1f-3 0.134732 -0.140870 -0.238707 -0.205435 0.076691 0.277248 3C 1s 0.002682 0.001833 0.001862 -0.007719 0.009554 -0.002838 3C 2s 0.003379 0.002617 0.000902 -0.011184 0.016452 0.001598 3C 3s 0.025417 0.013595 -0.023388 0.004609 -0.172283 -0.201161 3C 4s -0.072839 -0.027308 0.364112 -0.024364 0.629562 0.335987 3C 5s 1.308716 0.510085 0.278906 -1.333504 1.666653 -1.922228 3C 1pz -0.008155 -0.006751 0.003979 0.025352 -0.027133 -0.018326 3C 1px -0.023594 -0.011977 -0.022640 0.032054 -0.049530 0.026639 3C 1py 0.018620 0.009933 0.008886 -0.032787 0.093311 0.019758 3C 2pz 0.865555 0.566627 -0.266557 -0.916862 1.203238 -0.073408 3C 2px -0.407769 -0.035393 1.726026 -0.742316 1.011424 -1.372232 3C 2py -0.048691 -0.043181 -0.957674 0.952879 -1.589235 0.690363 3C 3pz 0.018747 -0.038272 0.077303 0.026570 -0.092789 -0.204094 3C 3px 0.106869 -0.017526 -0.230958 -0.044523 0.083713 0.097689 3C 3py -0.290077 -0.131072 0.098330 0.128340 -0.201317 0.239661 3C 1dz2 -0.034201 -0.012348 0.032984 0.011939 -0.009045 -0.016212 3C 1dxz 0.099995 0.022845 -0.194175 0.006225 0.005811 0.160499 3C 1dyz 0.170484 0.074560 -0.351676 0.099266 -0.137555 0.256198 3C 1dx2y2 -0.072145 -0.070055 -0.073503 0.176763 -0.240716 0.102678 3C 1dxy -0.151960 -0.082467 0.057761 0.107152 -0.141492 -0.003943 3C 2dz2 -0.040570 -0.004525 -0.025675 0.046658 -0.230229 0.000017 3C 2dxz 0.283520 0.068714 -0.550708 0.015916 -0.068515 0.379354 3C 2dyz 0.402030 0.170013 -0.932051 0.379024 -0.499034 0.547403 3C 2dx2y2 -0.333509 -0.249458 0.055409 0.300902 -0.526099 0.129703 3C 2dxy -0.292690 -0.189321 0.006022 0.327630 -0.489206 0.141201 3C 1f0 -0.203499 -0.138277 0.032547 0.207647 -0.324790 0.055323 3C 1f+1 -0.256334 -0.119233 0.298494 0.051596 -0.109391 -0.154393 3C 1f-1 0.147888 0.085109 -0.226695 0.093463 -0.050660 0.135077 3C 1f+2 0.086529 0.055050 0.136327 -0.208281 0.205845 -0.250040 3C 1f-2 0.093721 0.060908 0.007186 -0.151852 0.190553 -0.089607 3C 1f+3 0.043242 -0.007602 -0.132008 0.059265 -0.070005 0.113001 3C 1f-3 0.259264 0.083779 -0.427096 0.052655 -0.095467 0.301070 4C 1s 0.001719 -0.003620 0.001700 -0.015384 -0.016311 -0.005873 4C 2s 0.003415 -0.011211 0.004134 -0.017998 -0.025674 -0.019781 4C 3s 0.035099 0.118736 -0.011828 -1.335958 -1.025727 0.273034 4C 4s -0.185900 -0.326449 -0.200678 6.892211 5.735568 -0.688760 4C 5s 0.272768 -0.789382 -0.498631 0.924365 1.190474 -0.369247 4C 1pz 0.004339 -0.052930 -0.010820 0.149858 0.111975 -0.054317 4C 1px 0.014581 -0.040637 -0.006663 0.035370 0.033152 -0.011799 4C 1py 0.004961 -0.041756 -0.013196 0.099509 0.068075 -0.030416 4C 2pz -0.742325 2.220172 0.473618 -0.726763 -0.366523 1.048139 4C 2px 2.160755 -5.354266 -1.699588 0.387024 1.026600 -0.973284 4C 2py 0.348599 -0.659181 -0.269670 -0.296943 0.233585 0.225256 4C 3pz -0.279722 0.579860 0.210403 0.106449 -0.201403 0.441999 4C 3px 0.078694 -0.217725 -0.083675 0.059754 0.039680 0.146989 4C 3py -0.151893 0.308817 0.204955 -0.017522 -0.051811 0.334384 4C 1dz2 -0.095598 0.234625 0.034984 -0.100975 -0.109564 0.107257 4C 1dxz 0.117023 -0.346190 -0.006476 0.028690 -0.091627 -0.207255 4C 1dyz -0.004201 0.020849 -0.026215 0.074336 0.109366 0.042242 4C 1dx2y2 0.015277 -0.021013 -0.014606 0.217976 0.191298 0.019011 4C 1dxy 0.071303 -0.273608 -0.033143 0.234475 0.162177 -0.122186 4C 2dz2 -0.328634 0.753604 0.388906 0.114833 -0.100536 -0.167478 4C 2dxz 0.673306 -1.662133 -0.535022 -0.343495 -0.036081 -0.299380 4C 2dyz -0.045460 -0.137080 0.051992 0.932430 0.496784 -0.360810 4C 2dx2y2 -0.077560 0.054416 -0.021536 0.584308 0.686084 0.128623 4C 2dxy 0.504588 -1.154202 -0.427912 0.481080 0.637079 -0.170967 4C 1f0 -0.010716 0.050544 0.013313 -0.028524 -0.128973 -0.088792 4C 1f+1 0.120793 -0.172170 -0.154346 -0.338674 -0.156129 0.189224 4C 1f-1 -0.095646 0.273979 0.089688 -0.236252 -0.220307 0.093177 4C 1f+2 -0.100388 0.195508 0.042498 0.242286 0.182350 0.054725 4C 1f-2 0.205539 -0.352052 -0.194171 -0.230399 0.019534 0.151435 4C 1f+3 -0.024444 0.173003 0.015752 -0.095465 -0.018255 0.153602 4C 1f-3 -0.088875 0.295545 0.080791 -0.250843 -0.188079 0.112742 5C 1s 0.000667 0.000576 0.006059 -0.010636 0.019161 0.004015 5C 2s 0.000996 0.000680 0.004609 -0.015024 0.029835 0.015595 5C 3s 0.016025 0.014031 0.706351 -0.780620 1.214717 -0.324159 5C 4s -0.227821 -0.142448 -3.406319 4.207666 -6.721501 1.121131 5C 5s -0.753109 -0.140426 -0.146492 0.828938 -1.091020 0.612941 5C 1pz -0.012091 -0.010432 -0.036777 0.045414 -0.070217 0.028823 5C 1px -0.039892 -0.019075 -0.020033 0.032772 -0.059413 0.020155 5C 1py 0.036241 0.028149 0.060939 -0.097972 0.128192 -0.058342 5C 2pz 1.813709 0.745845 -0.314464 -0.355127 0.337873 -1.045375 5C 2px -5.063005 -1.738132 1.331727 1.028923 -0.506702 2.050427 5C 2py -1.094552 -0.535925 -0.063718 0.351954 -0.281656 1.008820 5C 3pz 0.474038 0.182141 -0.283570 -0.052486 0.211008 -0.418989 5C 3px -0.031954 0.031710 -0.062654 0.039530 0.034567 -0.242242 5C 3py -0.622728 -0.203912 0.393644 0.171958 -0.061090 0.675433 5C 1dz2 0.100293 0.023325 0.109959 -0.110757 0.206666 -0.095441 5C 1dxz -0.166574 -0.046770 0.013952 -0.024743 0.090588 0.145905 5C 1dyz -0.119003 -0.025208 0.004140 -0.060612 0.129720 0.139146 5C 1dx2y2 -0.240319 -0.090815 -0.081223 0.202508 -0.222709 0.144813 5C 1dxy 0.303810 0.125644 0.040392 -0.067943 0.049819 -0.242436 5C 2dz2 0.477223 0.175863 0.146453 -0.502465 0.514370 -0.210135 5C 2dxz -0.823614 -0.369287 0.500190 -0.122139 0.295129 0.279857 5C 2dyz -0.637162 -0.204904 0.758901 -0.387506 0.825886 -0.088092 5C 2dx2y2 -0.836890 -0.261371 0.196544 0.356860 -0.567817 0.082206 5C 2dxy 1.500469 0.517326 -0.356549 -0.336889 0.201425 -0.720554 5C 1f0 -0.236259 -0.079468 0.005186 0.076377 -0.060431 0.185005 5C 1f+1 0.225490 0.066426 0.044418 -0.134720 0.201756 -0.169705 5C 1f-1 -0.260706 -0.120423 0.171961 0.022761 -0.062375 -0.021396 5C 1f+2 -0.070767 -0.047403 0.045010 0.068122 -0.141494 -0.074057 5C 1f-2 0.438016 0.154006 -0.346714 0.097306 -0.247885 -0.005053 5C 1f+3 -0.008235 0.006924 0.297037 -0.219310 0.273766 -0.265938 5C 1f-3 -0.109588 -0.021472 -0.018729 0.136489 -0.142094 -0.029217 6C 1s 0.001823 0.000840 -0.005899 0.010513 -0.019049 0.005287 6C 2s 0.002234 0.001048 -0.004476 0.014758 -0.029358 0.018101 6C 3s 0.129594 0.035440 -0.689521 0.780222 -1.227670 -0.273000 6C 4s -0.793533 -0.255975 3.309471 -4.194731 6.765249 0.802115 6C 5s -0.795069 -0.163802 0.043067 -0.818042 1.093568 0.560855 6C 1pz 0.018329 0.011764 -0.034640 0.044745 -0.070925 -0.026942 6C 1px 0.043560 0.020093 -0.015227 0.031788 -0.059739 -0.018977 6C 1py -0.046829 -0.031296 0.055389 -0.096241 0.129311 0.054911 6C 2pz -1.778730 -0.765351 -0.519844 -0.314870 0.340747 1.065694 6C 2px 4.912613 1.805124 1.914955 0.927872 -0.494781 -2.030316 6C 2py 1.103690 0.550871 0.061243 0.325878 -0.293699 -1.047752 6C 3pz -0.444813 -0.184854 -0.342343 -0.041205 0.219122 0.405667 6C 3px 0.042827 -0.027425 -0.062746 0.041805 0.041087 0.244366 6C 3py 0.580035 0.214384 0.471989 0.160453 -0.078165 -0.668238 6C 1dz2 0.118503 0.026850 -0.094382 0.109040 -0.208629 -0.086460 6C 1dxz -0.160506 -0.046334 -0.033757 0.027491 -0.089465 0.154866 6C 1dyz -0.115395 -0.024656 -0.019175 0.061168 -0.127057 0.150943 6C 1dx2y2 -0.254294 -0.098063 0.050215 -0.196420 0.223675 0.134145 6C 1dxy 0.307389 0.128367 -0.004116 0.061415 -0.052805 -0.246385 6C 2dz2 0.509381 0.195261 -0.087985 0.492548 -0.516436 -0.183728 6C 2dxz -0.755909 -0.371401 -0.584711 0.141724 -0.300767 0.306088 6C 2dyz -0.527887 -0.200429 -0.820474 0.400360 -0.839844 -0.062075 6C 2dx2y2 -0.825032 -0.276199 -0.292494 -0.338044 0.558407 0.037111 6C 2dxy 1.462128 0.538322 0.530103 0.307660 -0.200195 -0.725306 6C 1f0 0.236179 0.082816 0.034131 0.071737 -0.062040 -0.187123 6C 1f+1 -0.234079 -0.071271 0.015146 -0.130018 0.203193 0.161382 6C 1f-1 0.240369 0.121988 0.197480 0.015261 -0.057354 0.026950 6C 1f+2 0.070223 0.049925 0.050581 0.065627 -0.139150 0.082684 6C 1f-2 -0.391622 -0.155093 -0.391380 0.106250 -0.255051 0.012774 6C 1f+3 -0.032211 -0.012798 0.290406 -0.219053 0.282453 0.260981 6C 1f-3 0.118852 0.028110 -0.005742 0.135960 -0.142594 0.039910 7C 1s 0.001777 -0.003008 -0.001348 0.015409 0.016119 -0.006351 7C 2s 0.003668 -0.010663 -0.003269 0.018245 0.024982 -0.020611 7C 3s 0.024830 0.183571 0.007350 1.325829 1.037577 0.246926 7C 4s -0.159641 -0.647637 0.205575 -6.846195 -5.767254 -0.535659 7C 5s 0.228090 -0.829524 0.544044 -0.881360 -1.189462 -0.331357 7C 1pz -0.004209 0.059861 -0.012064 0.146116 0.113072 0.051665 7C 1px -0.014251 0.042383 -0.008958 0.033476 0.033094 0.011017 7C 1py -0.004105 0.046979 -0.014452 0.097910 0.069502 0.029451 7C 2pz 0.687494 -2.249233 0.592022 -0.622537 -0.392433 -1.044196 7C 2px -1.968046 5.347238 -2.030283 0.152567 1.012950 0.941231 7C 2py -0.320173 0.637411 -0.324890 -0.327092 0.213519 -0.244095 7C 3pz 0.261638 -0.569053 0.255551 0.137346 -0.212723 -0.437121 7C 3px -0.070379 0.224054 -0.095589 0.053209 0.033847 -0.148063 7C 3py 0.130283 -0.302695 0.227769 0.003855 -0.058900 -0.336489 7C 1dz2 -0.092232 0.237709 -0.049422 0.090893 0.110789 0.103688 7C 1dxz 0.113883 -0.348579 0.027464 -0.013307 0.085955 -0.209664 7C 1dyz -0.006576 0.019288 0.023067 -0.075029 -0.108145 0.045289 7C 1dx2y2 0.015045 -0.030861 0.018248 -0.215495 -0.189972 0.024473 7C 1dxy 0.068801 -0.285064 0.047068 -0.220046 -0.164663 -0.117139 7C 2dz2 -0.282156 0.737002 -0.432101 -0.145032 0.085733 -0.171277 7C 2dxz 0.611328 -1.636520 0.636776 0.417872 0.041144 -0.297343 7C 2dyz -0.036237 -0.182114 -0.051869 -0.923135 -0.513097 -0.352129 7C 2dx2y2 -0.073046 0.029910 0.013815 -0.580378 -0.681135 0.154434 7C 2dxy 0.459726 -1.172282 0.504332 -0.431738 -0.632241 -0.155812 7C 1f0 0.010780 -0.052289 0.017629 -0.026882 -0.126458 0.093943 7C 1f+1 -0.100770 0.150752 -0.164487 -0.343700 -0.166052 -0.183855 7C 1f-1 0.086986 -0.284292 0.104851 -0.223192 -0.222166 -0.088147 7C 1f+2 0.094194 -0.183784 0.058614 0.252903 0.183009 -0.056250 7C 1f-2 -0.183485 0.338910 -0.221001 -0.241779 0.010347 -0.151483 7C 1f+3 0.022586 -0.176646 0.021387 -0.085920 -0.023061 -0.152405 7C 1f-3 0.080252 -0.304314 0.096041 -0.236698 -0.188804 -0.107629 8C 1s 0.003112 0.002058 -0.001482 0.007594 -0.009609 -0.002361 8C 2s 0.003783 0.002887 -0.000517 0.010956 -0.016336 0.002680 8C 3s 0.020272 0.015519 0.029235 -0.004334 0.165622 -0.216606 8C 4s -0.018570 -0.032654 -0.377463 0.026245 -0.617697 0.363008 8C 5s 1.384316 0.553566 -0.097282 1.307090 -1.710895 -1.874409 8C 1pz 0.008218 0.007476 0.004428 0.024833 -0.026311 0.020812 8C 1px 0.027018 0.012774 -0.019624 0.031517 -0.050164 -0.024814 8C 1py -0.021475 -0.010314 0.006960 -0.031930 0.092056 -0.025392 8C 2pz -0.851369 -0.594073 -0.352057 -0.878542 1.183984 0.015304 8C 2px 0.198963 0.028170 1.738557 -0.744903 1.055984 1.381564 8C 2py 0.209998 0.071016 -0.931090 0.956907 -1.618055 -0.651551 8C 3pz -0.028367 0.038590 0.070692 0.021807 -0.084348 0.213931 8C 3px -0.085811 0.013117 -0.241493 -0.046377 0.082709 -0.110927 8C 3py 0.280139 0.134383 0.133434 0.119469 -0.201733 -0.229766 8C 1dz2 -0.030351 -0.012932 -0.032493 -0.012023 0.009261 -0.014467 8C 1dxz 0.079871 0.023992 0.198691 -0.007218 -0.000829 0.165919 8C 1dyz 0.124745 0.072829 0.363761 -0.105685 0.150619 0.263022 8C 1dx2y2 -0.083165 -0.073894 0.062891 -0.170716 0.239957 0.093136 8C 1dxy -0.149769 -0.087328 -0.075804 -0.102310 0.139346 -0.013332 8C 2dz2 -0.046651 -0.003665 0.031423 -0.048872 0.233463 -0.001979 8C 2dxz 0.222799 0.071721 0.564856 -0.019298 0.082264 0.387641 8C 2dyz 0.277501 0.161389 0.962226 -0.394731 0.528628 0.554365 8C 2dx2y2 -0.329652 -0.254157 -0.093237 -0.281111 0.516234 0.105379 8C 2dxy -0.304145 -0.201339 -0.046653 -0.315863 0.487674 0.117139 8C 1f0 0.205712 0.144402 0.058705 0.198265 -0.321330 -0.037475 8C 1f+1 0.220242 0.119785 0.322632 0.037955 -0.092796 0.172421 8C 1f-1 -0.116868 -0.082408 -0.239034 0.099478 -0.058646 -0.139552 8C 1f+2 -0.109413 -0.062925 0.119968 -0.205461 0.212795 0.248048 8C 1f-2 -0.098680 -0.065482 -0.000081 -0.151346 0.195534 0.086871 8C 1f+3 -0.028290 0.007976 -0.126470 0.054782 -0.068555 -0.107142 8C 1f-3 -0.210695 -0.085978 -0.447428 0.057007 -0.107196 -0.310659 9C 1s -0.000380 0.002271 -0.002605 0.008426 0.010150 0.001180 9C 2s -0.000012 -0.001085 -0.004716 0.011511 0.016405 -0.004550 9C 3s -0.006166 0.129628 -0.005144 -0.083546 -0.066991 0.203690 9C 4s -0.026193 -0.146179 0.137444 0.610555 0.150999 -0.245733 9C 5s -0.441000 1.634829 -0.619461 1.623511 1.663426 1.479360 9C 1pz -0.003154 -0.003759 -0.020720 0.057824 0.056055 -0.035724 9C 1px -0.004156 0.020615 -0.002617 0.049876 0.024431 0.022895 9C 1py -0.008749 0.005752 -0.009816 0.034682 0.054449 -0.011604 9C 2pz 0.032465 -0.646025 0.220399 -1.762558 -1.379317 -0.401629 9C 2px -0.404677 0.328155 -1.002222 -1.501413 0.003913 -1.390272 9C 2py 0.130269 -0.546239 0.166481 -1.572336 -1.287783 -0.686681 9C 3pz 0.134949 -0.242063 0.117098 -0.087731 -0.117965 -0.202192 9C 3px 0.024209 -0.043043 0.221975 0.042145 -0.214346 0.207706 9C 3py 0.027107 -0.105260 0.029626 0.028998 -0.043852 -0.054317 9C 1dz2 0.022608 0.024323 0.021815 0.236262 0.143365 0.135272 9C 1dxz -0.107825 0.178557 -0.212285 -0.056790 0.172808 -0.180991 9C 1dyz 0.051789 0.038104 0.094591 0.346412 0.142679 0.237414 9C 1dx2y2 0.021419 -0.052910 0.086417 0.016480 -0.085474 0.106482 9C 1dxy -0.018640 0.054627 -0.034081 -0.059025 0.003392 -0.076436 9C 2dz2 -0.007483 0.145349 -0.063053 0.535108 0.304556 0.189293 9C 2dxz -0.231280 0.409466 -0.542832 -0.103630 0.357324 -0.313600 9C 2dyz 0.107723 0.059264 0.251609 1.029531 0.534581 0.561701 9C 2dx2y2 0.122237 -0.219450 0.280028 0.307680 -0.146128 0.343949 9C 2dxy 0.017440 0.050638 -0.016564 0.073156 0.101375 -0.089674 9C 1f0 -0.067698 0.148841 -0.132009 -0.138596 0.111504 -0.178171 9C 1f+1 -0.016607 -0.001742 -0.059209 0.000742 0.078802 -0.056356 9C 1f-1 0.013273 0.005743 0.070516 0.019332 -0.059065 0.138900 9C 1f+2 0.098063 -0.246307 0.230909 -0.089880 -0.257216 0.054745 9C 1f-2 0.096226 -0.035608 0.173446 0.382988 0.123854 0.327303 9C 1f+3 0.046080 -0.209730 0.112658 -0.320871 -0.313017 -0.134940 9C 1f-3 -0.107902 0.117392 -0.246211 -0.226821 0.049841 -0.288021 10H 1s -0.202133 0.379481 0.352725 -0.010733 -0.368406 -0.195101 10H 2s -0.379792 0.538821 0.824938 0.424586 -0.632255 -0.771404 10H 3s 0.068216 -0.221506 -0.264766 0.206211 0.445005 0.057640 10H 1pz -0.083623 0.131923 0.182843 0.069383 -0.169902 -0.165600 10H 1px 0.172253 -0.284692 -0.347519 -0.029376 0.363828 0.259942 10H 1py -0.032179 0.040170 0.069533 0.030951 -0.055869 -0.047206 11H 1s 0.109613 -0.015782 -0.192221 -0.377854 -0.082830 0.313733 11H 2s 0.377897 -0.283463 -0.545498 -0.754035 -0.050058 0.636192 11H 3s -0.069726 -0.110122 0.138311 0.394513 0.124371 -0.352352 11H 1pz 0.080710 -0.017064 -0.102882 -0.223635 -0.053868 0.175467 11H 1px 0.128273 -0.079303 -0.203040 -0.329701 -0.030786 0.289255 11H 1py -0.068708 0.031292 0.112002 0.152215 0.017583 -0.142785 12H 1s 0.035119 0.072785 -0.062383 -0.501819 -0.228550 0.373785 12H 2s 0.110122 0.011179 -0.202245 -1.073445 -0.489266 0.849094 12H 3s 0.060475 -0.209172 0.017196 0.511138 0.292099 -0.421005 12H 1pz -0.013660 -0.001951 0.021078 0.136770 0.049101 -0.090223 12H 1px 0.058525 -0.029754 -0.105718 -0.308710 -0.100661 0.247356 12H 1py 0.022225 0.075664 -0.045429 -0.483840 -0.262833 0.370722 13H 1s 0.398760 0.186419 -0.363583 -0.181070 0.227335 0.107941 13H 2s 0.696400 0.331702 -1.086245 -0.198382 0.227237 0.628714 13H 3s -0.240941 -0.091592 0.170635 0.259044 -0.361963 0.016167 13H 1pz 0.245172 0.127783 -0.306253 -0.117138 0.139895 0.148097 13H 1px -0.270446 -0.122355 0.303694 0.131284 -0.174897 -0.155136 13H 1py -0.072310 -0.031654 0.148112 0.029328 -0.019585 -0.092251 14H 1s 0.034034 0.082539 0.335299 -0.286845 0.375242 -0.381053 14H 2s 0.031637 0.199692 0.801482 -0.645448 0.771733 -0.850703 14H 3s -0.164590 -0.157665 -0.291469 0.332599 -0.401075 0.429528 14H 1pz 0.093083 0.084763 0.108120 -0.175900 0.201827 -0.190353 14H 1px -0.011937 0.068647 0.415992 -0.311093 0.376496 -0.417429 14H 1py 0.015487 0.021948 0.041427 -0.047670 0.079027 -0.043510 15H 1s -0.200747 -0.106531 0.390262 -0.115302 0.117521 -0.283641 15H 2s -0.649321 -0.381378 0.923641 -0.134422 0.126807 -0.538923 15H 3s 0.059815 0.070232 -0.330657 0.141325 -0.154106 0.352558 15H 1pz 0.213458 0.116754 -0.329742 0.059332 -0.039478 0.214251 15H 1px -0.083732 -0.035496 0.167369 -0.038095 0.053546 -0.118493 15H 1py 0.169750 0.103263 -0.289818 0.070672 -0.085162 0.212373 16H 1s 0.005012 0.031106 -0.012420 0.005402 0.004806 0.013120 16H 2s -0.047004 0.099805 0.066722 0.062159 -0.022037 -0.042435 16H 3s -0.018423 0.047352 0.038320 -0.011634 -0.010456 -0.008674 16H 1pz -0.017586 0.069761 0.018470 0.010837 -0.007071 -0.004483 16H 1px 0.016298 -0.028444 -0.010388 -0.005100 0.010019 0.002566 16H 1py -0.007936 0.018954 -0.001302 0.008783 -0.009060 0.011407 17H 1s -0.018234 -0.031589 0.002567 -0.011698 -0.018414 0.001117 17H 2s -0.054858 0.035977 -0.007600 -0.029453 0.023829 -0.042981 17H 3s -0.037347 -0.041041 -0.021755 -0.014610 0.014850 0.008140 17H 1pz 0.017515 0.007721 0.001700 0.000506 0.004347 0.008491 17H 1px 0.047109 0.020060 0.004783 0.013929 0.003752 0.002564 17H 1py -0.018068 -0.007933 -0.005678 -0.016775 -0.009952 0.002921 18H 1s -0.017788 -0.032257 -0.003184 0.012641 0.017580 0.001005 18H 2s -0.049916 0.045780 -0.001460 0.032361 -0.024383 -0.042485 18H 3s -0.038723 -0.041775 0.017807 0.016096 -0.014723 0.007884 18H 1pz -0.017556 -0.006808 -0.000117 0.001859 0.004060 -0.008729 18H 1px -0.045816 -0.018024 -0.000553 0.016077 0.003295 -0.003108 18H 1py 0.016921 0.006587 -0.003778 -0.016999 -0.009269 -0.002931 19H 1s 0.002612 0.030356 0.012589 -0.007078 -0.004461 0.012971 19H 2s -0.034872 0.103079 -0.077136 -0.062161 0.018917 -0.046112 19H 3s -0.015873 0.046456 -0.041523 0.009567 0.009869 -0.009734 19H 1pz 0.014496 -0.069901 0.022364 0.012570 -0.005908 0.006097 19H 1px -0.015463 0.028889 -0.013345 -0.005955 0.009603 -0.003358 19H 1py 0.008797 -0.020610 0.000805 0.009727 -0.009422 -0.010562 20H 1s -0.147167 -0.102806 -0.404887 0.125524 -0.134062 -0.293519 20H 2s -0.526775 -0.378355 -0.979576 0.165021 -0.166646 -0.564927 20H 3s 0.012468 0.065757 0.329391 -0.149071 0.170622 0.360959 20H 1pz -0.169652 -0.114939 -0.346986 0.069347 -0.053780 -0.224368 20H 1px 0.064479 0.036373 0.176735 -0.041696 0.060205 0.123685 20H 1py -0.129147 -0.100927 -0.301698 0.079415 -0.098469 -0.219189 21H 1s 0.077036 0.088286 -0.321722 0.280784 -0.383079 -0.375846 21H 2s 0.126853 0.211021 -0.775497 0.629411 -0.789995 -0.837848 21H 3s -0.203637 -0.165555 0.264168 -0.322357 0.409069 0.422342 21H 1pz -0.106703 -0.089215 0.095841 -0.171431 0.206377 0.187466 21H 1px -0.038922 -0.074054 0.405113 -0.304415 0.384843 0.411493 21H 1py -0.020638 -0.022675 0.040064 -0.046362 0.079817 0.042696 22H 1s 0.363621 0.195050 0.401580 0.169678 -0.217703 0.126419 22H 2s 0.577855 0.344743 1.141432 0.174861 -0.195049 0.669135 22H 3s -0.230933 -0.101426 -0.196963 -0.252653 0.359474 -0.005444 22H 1pz -0.211604 -0.132460 -0.325153 -0.107663 0.129814 -0.161668 22H 1px 0.241919 0.129469 0.329027 0.123959 -0.166912 0.172370 22H 1py 0.058366 0.034706 0.154845 0.027920 -0.016794 0.098013 23H 1s 0.025251 0.095255 0.065230 0.489735 0.236549 0.366788 23H 2s 0.082757 0.052101 0.216095 1.050804 0.506528 0.830597 23H 3s 0.064299 -0.230466 -0.005998 -0.493828 -0.298823 -0.413576 23H 1pz 0.011157 0.007832 0.024284 0.136521 0.050975 0.091692 23H 1px -0.045246 0.015593 -0.109734 -0.298487 -0.104518 -0.238939 23H 1py -0.014888 -0.093963 -0.049087 -0.473681 -0.270325 -0.364403 24H 1s 0.087609 0.011408 0.193228 0.382281 0.101560 0.313725 24H 2s 0.318349 -0.224114 0.564414 0.778458 0.095218 0.640313 24H 3s -0.053750 -0.138004 -0.133950 -0.393195 -0.143686 -0.351597 24H 1pz -0.068688 0.000059 -0.103772 -0.225876 -0.065351 -0.174307 24H 1px -0.107009 0.056178 -0.211201 -0.339983 -0.049168 -0.292921 24H 1py 0.054609 -0.017512 0.110196 0.152450 0.027442 0.139390 25H 1s -0.165758 0.372911 -0.375104 -0.004531 0.354676 -0.203770 25H 2s -0.293472 0.498279 -0.856725 -0.443684 0.588085 -0.786172 25H 3s 0.044680 -0.225393 0.272024 -0.195388 -0.438813 0.068780 25H 1pz 0.065472 -0.126287 0.193283 0.073432 -0.162424 0.170701 25H 1px -0.136414 0.274596 -0.363335 -0.040232 0.347335 -0.268129 25H 1py 0.023691 -0.033431 0.067450 0.032470 -0.048038 0.045768 26O 1s -0.007941 0.019046 0.005985 -0.010548 -0.014920 -0.001973 26O 2s -0.033147 0.081787 0.024374 -0.046775 -0.060952 -0.002013 26O 3s 0.404787 -1.059734 -0.295135 0.661242 0.763051 -0.092090 26O 4s -1.158483 3.212400 0.868728 -1.886270 -2.077459 0.508333 26O 5s -0.894328 1.867948 0.972374 -1.240506 -1.601840 -0.002055 26O 1pz -0.003205 0.020342 0.029883 -0.055488 -0.044403 0.014318 26O 1px -0.145247 0.333225 0.143097 -0.159621 -0.223681 -0.004984 26O 1py -0.049815 0.130643 0.061593 -0.087019 -0.123804 0.012495 26O 2pz -0.008689 -0.076592 -0.067928 0.305686 0.181405 -0.130191 26O 2px 0.805319 -2.066307 -0.729538 1.184305 1.353209 -0.290119 26O 2py 0.285044 -0.798334 -0.278422 0.596085 0.672761 -0.208707 26O 3pz 0.066785 -0.186817 0.066047 0.008589 0.114646 -0.064828 26O 3px 0.401978 -0.970023 -0.325398 0.499147 0.747687 -0.088454 26O 3py 0.076130 -0.534149 -0.167987 0.306963 0.224332 0.002971 26O 1dz2 0.011963 0.008216 0.002555 -0.032927 -0.005629 0.005105 26O 1dxz -0.013355 0.021440 0.020598 0.028629 0.001612 -0.025846 26O 1dyz -0.004579 -0.019031 0.002913 0.000590 -0.021357 -0.010575 26O 1dx2y2 0.017851 -0.031899 -0.006295 0.012670 0.013619 -0.013305 26O 1dxy 0.002240 -0.016206 0.013972 0.022442 0.009371 -0.033342 26O 2dz2 0.140460 -0.361492 -0.105396 0.202179 0.238314 -0.075376 26O 2dxz 0.004845 0.015820 -0.013524 -0.162870 -0.075528 0.097064 26O 2dyz -0.001678 -0.022916 -0.011990 -0.095229 -0.070416 0.033359 26O 2dx2y2 -0.187509 0.458397 0.155138 -0.248835 -0.293937 0.055177 26O 2dxy -0.129578 0.402689 0.121156 -0.349468 -0.331819 0.106500 26O 1f0 -0.009613 0.021597 0.002870 0.033238 -0.003455 -0.013356 26O 1f+1 0.011650 -0.047484 -0.003394 0.019639 0.019877 -0.015072 26O 1f-1 -0.023955 0.018595 0.032438 0.042888 0.003281 -0.031122 26O 1f+2 0.018909 -0.023714 -0.024609 -0.055869 -0.014740 0.053714 26O 1f-2 0.011016 -0.018930 -0.005478 0.002843 -0.011909 -0.011218 26O 1f+3 0.027231 -0.046560 -0.019406 0.006706 0.015263 0.007081 26O 1f-3 0.023683 -0.041887 -0.015023 0.034530 0.036313 -0.001922 27O 1s 0.021186 0.008340 -0.001849 -0.009942 0.013986 -0.003321 27O 2s 0.088540 0.034258 -0.004014 -0.042577 0.058202 -0.020392 27O 3s -1.099009 -0.412407 -0.026215 0.570511 -0.748706 0.378105 27O 4s 3.238915 1.171813 0.110953 -1.647112 2.044699 -1.364823 27O 5s 1.738850 0.528548 -0.118107 -1.153664 1.406438 -0.477534 27O 1pz -0.029697 -0.016383 0.024976 -0.014712 0.001723 -0.013301 27O 1px 0.366584 0.136865 -0.046585 -0.181501 0.236145 -0.094015 27O 1py -0.073251 -0.030329 0.003315 0.055384 -0.097208 0.030943 27O 2pz 0.211144 0.085891 -0.127482 0.026808 0.032463 0.032138 27O 2px -2.153638 -0.759789 0.010269 1.180470 -1.436858 0.904946 27O 2py 0.358344 0.123972 0.098677 -0.307165 0.478681 -0.264992 27O 3pz -0.065937 0.057902 -0.019069 -0.093047 -0.094877 0.060945 27O 3px -1.028755 -0.294843 -0.019169 0.542329 -0.657782 0.417663 27O 3py 0.291661 0.153379 0.065449 -0.209821 0.066810 -0.136356 27O 1dz2 0.013072 0.018616 0.011009 -0.020869 -0.004400 -0.018198 27O 1dxz 0.022096 0.011938 -0.018900 -0.000028 0.002049 0.003214 27O 1dyz 0.024216 0.002120 -0.009307 0.014467 -0.013638 -0.010806 27O 1dx2y2 -0.021642 0.001188 -0.015277 0.014034 -0.026454 0.026281 27O 1dxy -0.010822 -0.004015 0.039849 -0.006288 0.016369 -0.038229 27O 2dz2 -0.337199 -0.105148 -0.042565 0.204770 -0.284432 0.173136 27O 2dxz -0.127077 -0.056371 0.079270 0.018470 -0.016489 -0.024210 27O 2dyz 0.039467 0.010722 -0.020414 0.009825 -0.019157 -0.019133 27O 2dx2y2 0.567177 0.198349 0.018380 -0.317616 0.364464 -0.250038 27O 2dxy -0.158821 -0.066965 -0.111504 0.181612 -0.250711 0.157540 27O 1f0 0.011991 0.008558 0.008656 -0.002725 0.012784 -0.004876 27O 1f+1 -0.048851 -0.031946 0.002280 0.027395 -0.044799 0.018595 27O 1f-1 -0.012752 -0.004984 0.031640 -0.030061 0.009280 -0.015586 27O 1f+2 -0.064012 -0.027069 0.059622 -0.004189 0.004637 -0.020732 27O 1f-2 -0.010941 0.002271 0.034033 -0.016486 0.016175 -0.040196 27O 1f+3 -0.043318 -0.004081 -0.013311 0.017878 -0.008599 0.020768 27O 1f-3 -0.008461 -0.003817 0.038481 -0.024172 0.044166 -0.026294 28O 1s 0.007935 -0.019006 -0.001496 -0.006775 -0.007120 -0.006842 28O 2s 0.034191 -0.083087 -0.008768 -0.027142 -0.028467 -0.029503 28O 3s -0.464083 1.107570 0.182413 0.391932 0.360846 0.341356 28O 4s 1.534384 -3.492583 -0.812777 -1.254633 -0.952829 -0.807342 28O 5s 0.711306 -2.125507 -0.732530 -0.924024 -0.451413 -0.622260 28O 1pz 0.082508 -0.216719 -0.046900 -0.089109 -0.078634 -0.098140 28O 1px -0.108079 0.294069 0.061856 0.063506 0.064488 0.091022 28O 1py 0.001724 -0.026689 -0.010518 -0.001028 -0.032288 -0.032775 28O 2pz -0.567250 1.419236 0.376970 0.618138 0.471991 0.475460 28O 2px 0.792915 -1.917166 -0.552515 -0.660849 -0.442250 -0.385608 28O 2py -0.032821 0.151929 0.040185 0.013111 0.158939 0.177269 28O 3pz -0.400748 0.653745 -0.005543 0.241309 0.460729 0.132118 28O 3px 0.317136 -0.860004 -0.220423 -0.417656 -0.173446 -0.172116 28O 3py 0.005244 0.069098 -0.175175 0.114004 0.085304 -0.070414 28O 1dz2 -0.005159 -0.012400 -0.010694 -0.015150 0.013465 0.018076 28O 1dxz 0.001882 -0.022758 0.000321 -0.019038 -0.011779 -0.004998 28O 1dyz -0.003410 0.022528 -0.002545 -0.027120 -0.015695 0.014648 28O 1dx2y2 -0.026225 0.034269 0.020814 0.002814 0.008170 0.005379 28O 1dxy -0.007361 0.021528 0.006686 -0.007213 -0.023790 -0.007254 28O 2dz2 -0.036529 0.013687 0.056697 0.002138 -0.063711 -0.130971 28O 2dxz -0.253623 0.608704 0.140293 0.228936 0.215947 0.209811 28O 2dyz -0.030877 -0.007674 0.035135 0.004313 -0.068076 -0.105843 28O 2dx2y2 0.177786 -0.428118 -0.129820 -0.193975 -0.093360 -0.023463 28O 2dxy 0.006763 0.057097 -0.022135 -0.034536 0.039003 0.089177 28O 1f0 -0.017446 0.059436 0.022992 0.006729 -0.023335 -0.008309 28O 1f+1 0.024203 -0.030178 -0.045030 -0.002936 0.038241 0.049068 28O 1f-1 -0.007271 -0.002732 0.009308 0.014984 -0.012266 -0.021393 28O 1f+2 0.020604 -0.058041 -0.009901 0.011123 -0.020079 -0.036991 28O 1f-2 0.020640 -0.028527 -0.032832 -0.018585 0.030427 0.039478 28O 1f+3 0.024531 -0.050174 -0.004681 -0.009925 0.009593 -0.002540 28O 1f-3 0.009305 -0.015849 -0.005943 -0.010398 0.009878 0.013244 29O 1s 0.000356 0.000726 -0.000286 0.001433 -0.000153 -0.000799 29O 2s 0.002017 0.002017 -0.001017 0.005037 -0.000267 -0.002838 29O 3s -0.034763 -0.006757 0.010447 -0.047065 -0.002558 0.027147 29O 4s 0.092646 0.006233 -0.019471 0.105813 0.005972 -0.076311 29O 5s 0.022150 -0.138308 -0.017002 -0.111607 0.057997 0.162535 29O 1pz -0.010124 -0.035964 0.007249 -0.004773 -0.003782 -0.001979 29O 1px 0.003245 -0.008090 -0.004568 0.008698 -0.003680 0.001852 29O 1py 0.030140 -0.009280 -0.000786 -0.001647 0.012275 -0.001077 29O 2pz 0.030767 0.141355 -0.000412 0.027614 0.005666 0.005702 29O 2px 0.012991 0.020952 0.012934 -0.020693 0.012122 0.003018 29O 2py -0.096139 0.036493 0.002367 -0.001684 -0.039007 0.005203 29O 3pz -0.022594 -0.017663 0.059069 0.029578 -0.028225 -0.000783 29O 3px 0.027131 0.011111 -0.001731 0.065409 -0.037883 -0.027029 29O 3py 0.017646 0.026420 0.021848 0.015811 0.022701 -0.055071 29O 1dz2 0.001828 0.003172 0.000879 0.004210 -0.000807 -0.003221 29O 1dxz 0.000974 -0.006799 0.000017 -0.005748 0.001767 0.002413 29O 1dyz -0.002373 0.001980 0.003196 -0.006427 0.000360 -0.005205 29O 1dx2y2 -0.001968 -0.002320 0.002135 -0.004605 0.001704 -0.001622 29O 1dxy 0.005194 -0.000729 -0.005149 -0.005886 -0.006602 0.008334 29O 2dz2 0.011780 -0.027945 -0.002112 -0.005923 0.004272 -0.008453 29O 2dxz 0.018828 -0.003464 0.000897 0.005992 0.010097 0.003504 29O 2dyz -0.017156 -0.044855 -0.007191 -0.020802 -0.002247 -0.004521 29O 2dx2y2 -0.005447 0.005306 0.002099 0.001286 0.001834 -0.000461 29O 2dxy -0.005278 -0.012132 -0.006822 -0.011145 -0.004730 0.001699 29O 1f0 0.001511 0.001466 -0.000220 0.000160 0.004103 -0.003500 29O 1f+1 -0.000533 -0.004924 -0.005870 0.001994 -0.001453 0.000062 29O 1f-1 0.005468 -0.010891 0.000464 -0.001053 -0.001015 -0.000016 29O 1f+2 0.005446 0.006297 0.002815 -0.009458 0.000402 0.003839 29O 1f-2 0.003938 0.006914 0.003837 0.004869 0.009090 -0.006335 29O 1f+3 -0.002379 -0.003617 0.000058 0.000968 0.001348 -0.002204 29O 1f-3 -0.010537 -0.002345 0.009869 0.003736 0.010248 -0.013094 30O 1s -0.014728 -0.004431 0.004181 -0.004819 0.011335 0.008326 30O 2s -0.066755 -0.020903 0.019377 -0.017924 0.044169 0.037401 30O 3s 0.943966 0.310843 -0.339707 0.212262 -0.540543 -0.473674 30O 4s -3.125262 -1.066222 1.306350 -0.519760 1.459956 1.299717 30O 5s -2.003017 -0.848041 1.343051 -0.202613 0.807284 1.023335 30O 1pz -0.145441 -0.050001 0.053360 -0.026366 0.056212 0.109049 30O 1px 0.232609 0.080418 -0.084598 0.025237 -0.092354 -0.109322 30O 1py 0.137285 0.046885 -0.075336 0.029839 -0.107010 -0.099726 30O 2pz 1.015366 0.374622 -0.466316 0.165118 -0.404592 -0.574853 30O 2px -1.634248 -0.582637 0.798234 -0.199208 0.643160 0.587244 30O 2py -0.997594 -0.354298 0.530513 -0.168777 0.605662 0.569709 30O 3pz 0.442047 0.054381 -0.131178 0.072810 -0.448717 -0.135264 30O 3px -0.758482 -0.336902 0.514457 -0.104242 0.274852 0.323118 30O 3py -0.418490 -0.223949 0.083464 -0.229528 0.308386 0.076193 30O 1dz2 -0.018365 -0.016618 0.004520 0.002703 -0.010432 0.005156 30O 1dxz -0.021288 -0.016568 0.013461 -0.014543 0.003702 0.002249 30O 1dyz -0.032413 -0.003561 -0.016950 0.016110 -0.010860 0.026285 30O 1dx2y2 0.032840 0.003169 -0.024179 -0.007851 -0.006942 0.002299 30O 1dxy 0.004070 -0.002479 -0.008174 0.009121 -0.028207 -0.007925 30O 2dz2 0.119321 0.045703 -0.103515 0.033410 -0.090611 0.014286 30O 2dxz 0.416121 0.133928 -0.182275 0.057373 -0.184278 -0.205244 30O 2dyz 0.195409 0.071846 -0.060567 0.071120 -0.158221 -0.221759 30O 2dx2y2 -0.260688 -0.105546 0.191838 -0.026277 0.047203 -0.045714 30O 2dxy -0.410012 -0.159493 0.181049 -0.070518 0.208398 0.201644 30O 1f0 0.013250 0.004888 0.017677 0.004786 -0.023252 -0.031023 30O 1f+1 -0.007652 -0.001572 0.012659 0.002439 0.015765 -0.013033 30O 1f-1 -0.012790 -0.011032 0.015388 -0.006952 -0.008084 -0.012257 30O 1f+2 -0.050616 -0.024603 0.032208 0.012620 -0.000585 0.000308 30O 1f-2 -0.005070 -0.002230 -0.033548 -0.010903 0.013978 0.055818 30O 1f+3 -0.067242 -0.022508 0.042934 0.008216 -0.032472 -0.019911 30O 1f-3 -0.062156 -0.017452 0.027452 0.006877 0.002623 0.008859 31O 1s -0.013941 -0.004361 -0.005809 0.005004 -0.011281 0.009180 31O 2s -0.063251 -0.020715 -0.026800 0.018876 -0.043990 0.040830 31O 3s 0.888042 0.309787 0.444092 -0.227865 0.541078 -0.514584 31O 4s -2.926706 -1.069661 -1.649019 0.576905 -1.473928 1.405159 31O 5s -1.825385 -0.860600 -1.560325 0.249227 -0.799958 1.080587 31O 1pz 0.137212 0.050640 0.070422 -0.028828 0.055189 -0.115689 31O 1px -0.219911 -0.081321 -0.110118 0.029317 -0.092136 0.117430 31O 1py -0.125741 -0.047768 -0.090234 0.031501 -0.105815 0.108733 31O 2pz -0.946678 -0.377352 -0.581047 0.185343 -0.405106 0.611207 31O 2px 1.520843 0.588097 0.974596 -0.231024 0.651041 -0.632359 31O 2py 0.917456 0.358187 0.639346 -0.186117 0.604821 -0.616082 31O 3pz -0.419939 -0.058642 -0.178468 0.074576 -0.450447 0.159180 31O 3px 0.691254 0.340904 0.595876 -0.123193 0.275722 -0.339927 31O 3py 0.402437 0.220008 0.124944 -0.238757 0.312520 -0.097561 31O 1dz2 -0.018086 -0.016731 -0.006404 -0.001980 0.010378 0.004729 31O 1dxz -0.019313 -0.016076 -0.015579 0.015513 -0.004145 0.002725 31O 1dyz -0.034234 -0.004059 0.012612 -0.015566 0.010852 0.026306 31O 1dx2y2 0.030121 0.003822 0.027616 0.007622 0.007368 0.002629 31O 1dxy 0.002218 -0.002714 0.008682 -0.009075 0.028252 -0.009299 31O 2dz2 0.105007 0.045856 0.114429 -0.035859 0.092239 0.010647 31O 2dxz 0.389161 0.135214 0.228605 -0.064513 0.185099 -0.219208 31O 2dyz 0.182698 0.070719 0.084018 -0.074570 0.154937 -0.236960 31O 2dx2y2 -0.237139 -0.106662 -0.217254 0.032317 -0.052769 -0.046493 31O 2dxy -0.382090 -0.160071 -0.225169 0.078434 -0.208885 0.217987 31O 1f0 -0.015204 -0.005108 0.015682 0.004708 -0.022061 0.033672 31O 1f+1 0.006123 0.001898 0.013026 0.002554 0.015945 0.012802 31O 1f-1 0.011275 0.010921 0.016805 -0.007444 -0.007602 0.013480 31O 1f+2 0.047195 0.025459 0.037562 0.011380 0.000039 0.000692 31O 1f-2 0.007799 0.001501 -0.032145 -0.010805 0.012687 -0.059009 31O 1f+3 0.062921 0.022995 0.049900 0.006538 -0.030705 0.022742 31O 1f-3 0.058707 0.018044 0.033951 0.005688 0.003255 -0.008865 32O 1s 0.000357 0.000730 0.000285 -0.001453 0.000165 -0.000728 32O 2s 0.002002 0.002010 0.001124 -0.005099 0.000320 -0.002573 32O 3s -0.034030 -0.006100 -0.013753 0.047498 0.001772 0.024204 32O 4s 0.091810 0.004928 0.028946 -0.106025 -0.004501 -0.069093 32O 5s 0.009328 -0.147923 0.026414 0.110627 -0.054522 0.157923 32O 1pz 0.009299 0.035905 0.007701 -0.006331 -0.003641 0.002182 32O 1px -0.002742 0.008104 -0.005326 0.008591 -0.003697 -0.002205 32O 1py -0.029791 0.009621 -0.004130 -0.001893 0.011574 0.000512 32O 2pz -0.030953 -0.140503 -0.000929 0.033551 0.005637 -0.005543 32O 2px -0.013286 -0.019182 0.012004 -0.019632 0.011739 -0.002409 32O 2py 0.093868 -0.040135 0.014274 -0.000760 -0.036929 -0.003004 32O 3pz 0.016915 0.021227 0.061706 0.028493 -0.027039 0.003724 32O 3px -0.027949 -0.009998 -0.005102 0.065119 -0.037157 0.025000 32O 3py -0.023408 -0.030699 0.023117 0.015454 0.022518 0.054926 32O 1dz2 0.001751 0.002732 -0.000788 -0.004616 0.000821 -0.003246 32O 1dxz 0.000970 -0.006545 0.000243 0.005824 -0.001519 0.002573 32O 1dyz -0.001958 0.002405 -0.003313 0.006473 -0.000405 -0.004949 32O 1dx2y2 -0.001739 -0.002262 -0.002300 0.004449 -0.001666 -0.001590 32O 1dxy 0.004360 -0.000598 0.005650 0.005755 0.006927 0.008345 32O 2dz2 0.012004 -0.026651 0.004001 0.005808 -0.004203 -0.007623 32O 2dxz 0.018577 -0.003273 0.001136 -0.006585 -0.009471 0.003969 32O 2dyz -0.016894 -0.044802 0.006685 0.023029 0.001999 -0.004091 32O 2dx2y2 -0.004771 0.006463 -0.003060 -0.002130 -0.001878 -0.000610 32O 2dxy -0.005001 -0.010646 0.006427 0.011450 0.004460 0.001884 32O 1f0 -0.001278 -0.002039 -0.000503 0.000278 0.004320 0.003113 32O 1f+1 0.001503 0.005163 -0.005758 0.001610 -0.001811 -0.000065 32O 1f-1 -0.005883 0.010301 -0.000253 -0.001770 -0.000945 0.000175 32O 1f+2 -0.005343 -0.007248 0.002532 -0.009131 0.000259 -0.003599 32O 1f-2 -0.004483 -0.006787 0.003247 0.004862 0.009057 0.005964 32O 1f+3 0.001530 0.002845 0.000146 0.000453 0.001824 0.002203 32O 1f-3 0.009404 0.003299 0.010582 0.003626 0.010957 0.012834 33O 1s 0.007625 -0.018730 0.002829 0.007448 0.007003 -0.007086 33O 2s 0.032634 -0.081912 0.014421 0.030234 0.028000 -0.030438 33O 3s -0.436662 1.088279 -0.255935 -0.435543 -0.357542 0.352107 33O 4s 1.424401 -3.423256 1.045080 1.397662 0.956624 -0.832762 33O 5s 0.626144 -2.072234 0.838152 1.019212 0.441183 -0.639943 33O 1pz -0.076327 0.212676 -0.060358 -0.096867 -0.076270 0.100434 33O 1px 0.100043 -0.291118 0.079272 0.075536 0.063357 -0.093227 33O 1py -0.000514 0.026691 -0.011581 -0.003128 -0.031522 0.033411 33O 2pz 0.518509 -1.385127 0.463232 0.675218 0.465613 -0.487182 33O 2px -0.723462 1.879846 -0.670777 -0.742113 -0.445779 0.397935 33O 2py 0.027865 -0.152059 0.048265 0.024609 0.155462 -0.180876 33O 3pz 0.392251 -0.643820 0.053306 0.264071 0.461902 -0.149331 33O 3px -0.289978 0.837388 -0.267482 -0.454745 -0.173534 0.179854 33O 3py 0.015295 -0.071866 -0.171362 0.113058 0.086205 0.068868 33O 1dz2 -0.005970 -0.011639 0.009981 0.015445 -0.012941 0.018470 33O 1dxz 0.001942 -0.021822 0.000043 0.020372 0.011747 -0.004926 33O 1dyz -0.003737 0.023759 0.001752 0.025748 0.015883 0.014094 33O 1dx2y2 -0.023410 0.033720 -0.024228 -0.004221 -0.008588 0.005791 33O 1dxy -0.006999 0.021986 -0.007953 0.006437 0.023590 -0.008035 33O 2dz2 -0.030779 0.012541 -0.059426 -0.003246 0.056931 -0.132218 33O 2dxz -0.234158 0.596079 -0.178528 -0.253922 -0.213285 0.215951 33O 2dyz -0.027150 -0.008966 -0.037285 -0.001823 0.064391 -0.107720 33O 2dx2y2 0.161931 -0.417717 0.155683 0.211568 0.096074 -0.025862 33O 2dxy 0.003984 0.060291 0.020561 0.029755 -0.036511 0.089773 33O 1f0 0.014775 -0.058215 0.024912 0.009119 -0.021850 0.008427 33O 1f+1 -0.019396 0.028774 -0.047129 -0.004564 0.035317 -0.050044 33O 1f-1 0.006517 0.003704 0.009972 0.014691 -0.011529 0.022043 33O 1f+2 -0.018947 0.058383 -0.013176 0.008417 -0.019286 0.037577 33O 1f-2 -0.017300 0.027504 -0.035360 -0.019255 0.029092 -0.040353 33O 1f+3 -0.024238 0.050528 -0.009098 -0.011573 0.009846 0.002076 33O 1f-3 -0.008724 0.015155 -0.007202 -0.010486 0.009453 -0.013412 34O 1s 0.021254 0.008714 0.004237 0.009394 -0.013803 -0.002448 34O 2s 0.089248 0.035871 0.014162 0.040358 -0.057632 -0.016976 34O 3s -1.117492 -0.434223 -0.103126 -0.544205 0.745655 0.338156 34O 4s 3.294061 1.237068 0.275250 1.572868 -2.044484 -1.261319 34O 5s 1.764585 0.578150 0.325976 1.125904 -1.392066 -0.400904 34O 1pz 0.026825 0.015938 0.027436 -0.015561 0.002440 0.013328 34O 1px -0.366702 -0.144447 -0.089367 -0.173137 0.233967 0.080285 34O 1py 0.074966 0.032246 0.012233 0.053375 -0.097243 -0.026036 34O 2pz -0.197784 -0.086103 -0.147849 0.031282 0.029161 -0.034358 34O 2px 2.185457 0.808305 0.269552 1.134065 -1.435654 -0.831880 34O 2py -0.379814 -0.134252 0.051872 -0.298966 0.482004 0.243643 34O 3pz 0.067348 -0.063820 -0.009007 -0.092802 -0.095976 -0.055156 34O 3px 1.046830 0.316830 0.106043 0.523244 -0.655869 -0.376938 34O 3py -0.301576 -0.161341 0.029972 -0.198742 0.068988 0.125993 34O 1dz2 0.014295 0.019513 -0.009431 0.019858 0.003900 -0.018806 34O 1dxz 0.020026 0.012121 0.021019 -0.000606 -0.001635 0.003693 34O 1dyz 0.022639 0.001776 0.012042 -0.014623 0.013697 -0.011718 34O 1dx2y2 -0.023993 0.000706 0.012146 -0.014106 0.027032 0.025526 34O 1dxy -0.006123 -0.004187 -0.040011 0.006517 -0.017586 -0.038651 34O 2dz2 -0.348185 -0.112824 0.000619 -0.198090 0.284833 0.159617 34O 2dxz -0.119327 -0.058292 -0.091808 -0.015565 0.014729 -0.026557 34O 2dyz 0.036718 0.010824 0.024768 -0.010537 0.018797 -0.020026 34O 2dx2y2 0.578060 0.211636 0.050604 0.305409 -0.364964 -0.231234 34O 2dxy -0.176542 -0.072548 0.089663 -0.177240 0.252667 0.147979 34O 1f0 -0.013038 -0.008401 0.007270 -0.002147 0.012866 0.004386 34O 1f+1 0.049123 0.032709 0.008066 0.025309 -0.044289 -0.015857 34O 1f-1 0.008721 0.003975 0.031653 -0.029962 0.009856 0.014971 34O 1f+2 0.057045 0.027547 0.065656 -0.005764 0.006415 0.021751 34O 1f-2 0.006694 -0.002682 0.034516 -0.016643 0.017702 0.041477 34O 1f+3 0.045433 0.005064 -0.007984 0.017871 -0.009235 -0.020706 34O 1f-3 0.003336 0.003523 0.038467 -0.024157 0.044789 0.024610 35O 1s -0.007341 0.019383 -0.007096 0.009668 0.014652 -0.002365 35O 2s -0.030705 0.083380 -0.029168 0.042975 0.060063 -0.003656 35O 3s 0.375491 -1.084234 0.356971 -0.611617 -0.756392 -0.070879 35O 4s -1.071162 3.283220 -1.052633 1.736077 2.067266 0.448822 35O 5s -0.796511 1.913234 -1.107967 1.159637 1.580231 -0.051293 35O 1pz -0.000053 -0.022026 0.029843 -0.053992 -0.044657 -0.013231 35O 1px 0.130371 -0.337849 0.164030 -0.144385 -0.220072 0.011243 35O 1py 0.044422 -0.134267 0.069495 -0.080342 -0.123574 -0.008027 35O 2pz 0.015823 0.087830 -0.067230 0.298442 0.185114 0.125000 35O 2px -0.730810 2.108006 -0.855226 1.088577 1.343896 0.250956 35O 2py -0.260555 0.823936 -0.326527 0.556889 0.675415 0.185969 35O 3pz -0.075542 0.190999 0.055081 -0.001477 0.114462 0.058693 35O 3px -0.369104 0.991617 -0.389162 0.455744 0.740851 0.065009 35O 3py -0.056615 0.546924 -0.183021 0.281062 0.220853 -0.008159 35O 1dz2 0.012239 0.009693 -0.001439 0.032312 0.006019 0.005249 35O 1dxz -0.011056 0.019768 -0.021968 -0.029041 -0.002710 -0.025564 35O 1dyz -0.004519 -0.019263 -0.003025 0.000498 0.020908 -0.011152 35O 1dx2y2 0.017128 -0.032303 0.009003 -0.011176 -0.013677 -0.012727 35O 1dxy 0.003879 -0.017563 -0.012869 -0.021786 -0.010550 -0.033072 35O 2dz2 0.130192 -0.369764 0.128174 -0.185797 -0.238130 -0.068003 35O 2dxz 0.003066 0.022629 0.013646 0.159473 0.077830 0.094518 35O 2dyz -0.003499 -0.018776 0.011755 0.095323 0.071329 0.031214 35O 2dx2y2 -0.171408 0.466648 -0.184074 0.227610 0.290478 0.046997 35O 2dxy -0.118683 0.417940 -0.143492 0.329647 0.333049 0.096244 35O 1f0 0.009615 -0.020228 0.004647 0.033881 -0.003136 0.013803 35O 1f+1 -0.011308 0.048786 -0.006218 0.018168 0.020813 0.014730 35O 1f-1 0.020112 -0.015595 0.034477 0.043577 0.005388 0.030919 35O 1f+2 -0.015922 0.020852 -0.026630 -0.055727 -0.016465 -0.053021 35O 1f-2 -0.010010 0.019189 -0.006895 0.002796 -0.011481 0.012387 35O 1f+3 -0.024879 0.045918 -0.022648 0.004191 0.013762 -0.007513 35O 1f-3 -0.022201 0.043018 -0.018068 0.032146 0.035620 0.000697 600 601 602 603 604 605 4.48226 4.48758 4.52626 4.53257 4.54633 4.54759 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s -0.002837 -0.001033 -0.006639 0.000215 -0.005457 0.000497 0Rh 2s 0.025085 0.005646 0.053159 -0.001880 0.046663 -0.003884 0Rh 3s -0.001976 -0.002802 -0.007972 0.000163 -0.004796 0.000656 0Rh 4s -0.143277 -0.032683 -0.305689 0.010819 -0.268325 0.022390 0Rh 5s 0.341853 0.063897 0.716376 -0.026447 0.645699 -0.052307 0Rh 6s -0.343492 0.003572 -0.639082 0.029624 -0.667075 0.044847 0Rh 7s 0.623842 -0.602960 0.365106 -0.043216 1.300999 -0.064360 0Rh 8s 0.125848 0.169193 0.109219 0.016934 0.119704 0.039767 0Rh 1pz 0.001404 0.006888 0.003244 -0.001183 -0.005501 -0.000600 0Rh 1px 0.012081 -0.004263 0.000943 0.000874 0.007050 -0.000134 0Rh 1py 0.002508 -0.002194 -0.000526 -0.004875 0.003290 -0.003109 0Rh 2pz -0.005492 -0.027458 -0.012567 0.004734 0.022111 0.002332 0Rh 2px -0.048522 0.016250 -0.004907 -0.003499 -0.028642 0.000603 0Rh 2py -0.010149 0.008699 0.001888 0.019497 -0.013276 0.012328 0Rh 3pz 0.011372 0.071202 0.023933 -0.012434 -0.059165 -0.004598 0Rh 3px 0.132396 -0.025434 0.036566 0.009186 0.085051 -0.002908 0Rh 3py 0.029600 -0.021427 -0.000176 -0.050009 0.037366 -0.029398 0Rh 4pz 0.005760 -0.059702 0.016798 0.009665 0.045060 -0.002370 0Rh 4px -0.129572 -0.044877 -0.113697 -0.007070 -0.109695 0.006571 0Rh 4py -0.037765 0.013402 -0.018545 0.028871 -0.040045 0.008212 0Rh 5pz -0.056608 0.010907 -0.096031 0.001621 0.024985 0.014816 0Rh 5px 0.064920 0.173482 0.178524 -0.000809 0.127225 -0.001319 0Rh 5py 0.040825 0.008547 0.045979 0.055207 0.025773 0.057804 0Rh 6pz 0.628177 -0.052475 -0.023216 -0.002834 0.246884 0.061563 0Rh 6px -0.937318 -0.370544 0.230319 -0.056195 -1.823693 -0.228277 0Rh 6py -0.258533 0.002470 0.051281 -0.353370 -0.317892 -0.100654 0Rh 1dz2 0.003666 0.016039 0.025357 -0.006205 -0.002952 0.011176 0Rh 1dxz 0.000830 0.016671 0.030845 -0.002073 -0.010900 -0.009275 0Rh 1dyz 0.004883 0.002657 0.006448 -0.022399 -0.006863 0.021388 0Rh 1dx2y2 -0.001443 -0.030082 -0.047344 -0.004872 0.006089 0.010526 0Rh 1dxy -0.001608 -0.010219 -0.014289 -0.013325 0.002880 0.010616 0Rh 2dz2 -0.000169 0.002581 0.001650 -0.000108 -0.000087 0.002819 0Rh 2dxz 0.000140 -0.000467 0.001957 -0.000176 -0.000479 -0.001012 0Rh 2dyz 0.000455 -0.000495 0.000912 -0.000674 -0.000493 0.006149 0Rh 2dx2y2 0.000585 -0.003631 -0.002759 -0.000101 0.000116 0.001556 0Rh 2dxy -0.000159 -0.000580 -0.000683 -0.000527 -0.000201 0.001784 0Rh 3dz2 -0.014513 -0.078128 -0.112521 0.026397 0.012916 -0.060365 0Rh 3dxz -0.003889 -0.066526 -0.136711 0.009414 0.047578 0.043436 0Rh 3dyz -0.022299 -0.008577 -0.031036 0.096577 0.031001 -0.119144 0Rh 3dx2y2 0.003337 0.140884 0.208395 0.020879 -0.026040 -0.051238 0Rh 3dxy 0.007326 0.044869 0.062153 0.057737 -0.011103 -0.052996 0Rh 4dz2 0.023585 0.133491 0.174908 -0.043542 -0.023790 0.117501 0Rh 4dxz 0.003697 0.093306 0.210875 -0.014307 -0.072074 -0.073090 0Rh 4dyz 0.036519 0.008161 0.052528 -0.158815 -0.051714 0.236277 0Rh 4dx2y2 -0.003316 -0.233131 -0.319647 -0.035283 0.041975 0.089008 0Rh 4dxy -0.011228 -0.070112 -0.092725 -0.088726 0.015390 0.096985 0Rh 5dz2 -0.069690 -0.150627 -0.124678 0.129150 0.073000 -0.146059 0Rh 5dxz 0.038608 -0.067627 -0.115191 -0.008468 0.008499 0.071662 0Rh 5dyz -0.036151 0.000757 -0.032186 0.391102 0.075391 -0.274154 0Rh 5dx2y2 0.040394 0.247627 0.207091 0.099819 -0.051714 -0.079700 0Rh 5dxy 0.001947 0.067228 0.037888 0.100237 -0.004032 -0.115382 0Rh 1f0 -0.000895 0.011825 -0.000629 -0.003998 0.005294 0.006700 0Rh 1f+1 0.001246 0.002146 -0.004147 -0.006705 -0.009507 -0.010128 0Rh 1f-1 0.005247 -0.005530 0.001761 -0.004556 -0.010297 0.009756 0Rh 1f+2 -0.012160 -0.004712 -0.002362 0.004068 0.008512 0.003381 0Rh 1f-2 -0.004463 -0.004312 -0.003190 -0.021328 -0.001414 -0.022601 0Rh 1f+3 0.003173 -0.008878 -0.000585 0.007975 -0.012022 0.001332 0Rh 1f-3 -0.004433 -0.004994 0.000037 0.001461 -0.003559 0.017589 1Rh 1s 0.002775 -0.001059 -0.006550 -0.000203 0.005459 0.001170 1Rh 2s -0.024676 0.005911 0.052403 0.001785 -0.046679 -0.009651 1Rh 3s 0.001853 -0.002800 -0.007892 -0.000150 0.004795 0.001240 1Rh 4s 0.140916 -0.034188 -0.301345 -0.010274 0.268413 0.055551 1Rh 5s -0.336681 0.067532 0.705920 0.025194 -0.645885 -0.132143 1Rh 6s 0.340511 -0.000211 -0.628255 -0.028661 0.667229 0.127409 1Rh 7s -0.633836 -0.596770 0.345659 0.046259 -1.286767 -0.222402 1Rh 8s -0.124185 0.169565 0.107788 -0.020497 -0.127183 0.028392 1Rh 1pz 0.001386 -0.006994 -0.003306 -0.001117 -0.005428 -0.000069 1Rh 1px 0.012170 0.004002 -0.000879 0.000908 0.006908 0.001007 1Rh 1py 0.002770 0.002176 0.000539 -0.004865 0.002917 0.003511 1Rh 2pz -0.005425 0.027879 0.012818 0.004471 0.021815 0.000356 1Rh 2px -0.048855 -0.015207 0.004648 -0.003640 -0.028078 -0.004143 1Rh 2py -0.011198 -0.008627 -0.001940 0.019449 -0.011797 -0.013953 1Rh 3pz 0.011287 -0.072231 -0.024628 -0.011738 -0.058313 -0.002587 1Rh 3px 0.132722 0.022710 -0.035788 0.009656 0.083698 0.013331 1Rh 3py 0.032419 0.021242 0.000317 -0.049731 0.033833 0.034028 1Rh 4pz 0.005792 0.060080 -0.016119 0.009124 0.044135 0.007826 1Rh 4px -0.127786 0.047065 0.112691 -0.007816 -0.109123 -0.019700 1Rh 4py -0.040374 -0.013247 0.018379 0.027925 -0.038950 -0.013508 1Rh 5pz -0.057479 -0.009088 0.095769 0.001315 0.025247 -0.011788 1Rh 5px 0.060017 -0.173296 -0.177419 0.000184 0.129408 0.016022 1Rh 5py 0.041579 -0.008653 -0.045717 0.057417 0.032205 -0.053269 1Rh 6pz 0.635872 0.039345 0.028677 0.000440 0.249508 -0.032167 1Rh 6px -0.935085 0.370881 -0.249387 -0.059217 -1.840334 0.012233 1Rh 6py -0.258977 0.000525 -0.056521 -0.355232 -0.329075 0.054544 1Rh 1dz2 -0.003092 0.016173 0.025476 0.006092 0.001292 0.011216 1Rh 1dxz 0.000063 0.016899 0.030963 0.002136 0.011646 -0.007958 1Rh 1dyz -0.004795 0.002757 0.006638 0.022307 0.004379 0.021687 1Rh 1dx2y2 0.000284 -0.030287 -0.047494 0.004902 -0.006723 0.009917 1Rh 1dxy 0.001411 -0.010272 -0.014420 0.013548 -0.004014 0.009991 1Rh 2dz2 0.000264 0.002577 0.001652 0.000101 -0.000263 0.002792 1Rh 2dxz -0.000089 -0.000452 0.001952 0.000204 0.000588 -0.000951 1Rh 2dyz -0.000429 -0.000491 0.000915 0.000650 -0.000213 0.006142 1Rh 2dx2y2 -0.000729 -0.003622 -0.002759 0.000082 -0.000255 0.001550 1Rh 2dxy 0.000222 -0.000574 -0.000687 0.000585 -0.000016 0.001787 1Rh 3dz2 0.011705 -0.078668 -0.113019 -0.025895 -0.004297 -0.060423 1Rh 3dxz -0.000024 -0.067521 -0.137170 -0.009808 -0.051202 0.037669 1Rh 3dyz 0.021810 -0.009009 -0.031840 -0.096078 -0.017206 -0.120353 1Rh 3dx2y2 0.002102 0.141686 0.209008 -0.020905 0.029350 -0.048651 1Rh 3dxy -0.006812 0.045061 0.062713 -0.058935 0.016894 -0.050388 1Rh 4dz2 -0.018755 0.134377 0.175681 0.042771 0.007571 0.117681 1Rh 4dxz 0.002413 0.094743 0.211463 0.015171 0.078441 -0.064343 1Rh 4dyz -0.035519 0.008818 0.053769 0.157921 0.024430 0.238016 1Rh 4dx2y2 -0.005665 -0.234325 -0.320534 0.035109 -0.048084 0.084887 1Rh 4dxy 0.011036 -0.070360 -0.093597 0.090963 -0.026203 0.092929 1Rh 5dz2 0.064335 -0.153070 -0.126159 -0.129552 -0.053609 -0.150333 1Rh 5dxz -0.045243 -0.066982 -0.114984 0.006533 -0.016583 0.070796 1Rh 5dyz 0.033435 0.000578 -0.034327 -0.392427 -0.044225 -0.276816 1Rh 5dx2y2 -0.031283 0.249969 0.207723 -0.099166 0.057508 -0.075502 1Rh 5dxy -0.004084 0.067449 0.038420 -0.103628 0.017349 -0.111205 1Rh 1f0 -0.001269 -0.011758 0.000643 -0.004049 0.006355 -0.006083 1Rh 1f+1 0.001253 -0.002303 0.004019 -0.006749 -0.010786 0.008994 1Rh 1f-1 0.005668 0.005248 -0.001789 -0.004372 -0.009110 -0.011083 1Rh 1f+2 -0.012165 0.005128 0.002363 0.004156 0.008596 -0.002433 1Rh 1f-2 -0.004400 0.004415 0.003070 -0.021644 -0.004167 0.022170 1Rh 1f+3 0.003524 0.008678 0.000484 0.008063 -0.012137 -0.002648 1Rh 1f-3 -0.004050 0.005064 0.000051 0.001874 -0.001785 -0.017891 2C 1s -0.004258 0.001726 0.008419 -0.000475 0.000296 -0.013861 2C 2s -0.012159 -0.004854 0.011606 0.007051 0.009858 -0.018387 2C 3s 0.205797 0.241461 0.030104 -0.340573 -0.433480 -0.100738 2C 4s -0.218859 -0.350949 -0.536215 0.399590 0.650337 0.741488 2C 5s -0.224692 1.066941 1.828638 -1.540110 -1.604133 -3.773732 2C 1pz 0.068874 0.039859 -0.036314 -0.046078 -0.064446 0.058678 2C 1px -0.001404 -0.021758 -0.016295 -0.004405 -0.028491 0.016165 2C 1py 0.027749 0.018371 -0.022779 -0.027292 -0.034257 0.032929 2C 2pz -0.279437 0.580001 0.622711 -0.905152 -0.828458 -1.154402 2C 2px 1.180951 1.343708 0.186448 -0.137149 0.381610 -0.061279 2C 2py 0.042442 0.516458 0.537689 -0.599972 -0.478773 -0.731194 2C 3pz -0.039438 0.047729 0.192445 -0.160839 -0.164395 -0.533339 2C 3px -0.335410 -0.235073 0.222100 0.104171 0.020165 -0.316171 2C 3py -0.026498 0.042761 0.078916 -0.133102 -0.141115 -0.351656 2C 1dz2 0.047510 0.116243 0.091900 -0.077891 -0.029891 -0.091950 2C 1dxz -0.245161 -0.173276 0.072767 -0.023603 -0.096323 -0.116809 2C 1dyz 0.141743 0.231090 0.098301 -0.122087 -0.070025 -0.113834 2C 1dx2y2 0.131754 0.070274 -0.057237 0.008618 0.049622 0.095730 2C 1dxy -0.070302 -0.043791 -0.004660 -0.031389 -0.076524 -0.035713 2C 2dz2 -0.034835 0.161274 0.149460 -0.260005 -0.188116 -0.241076 2C 2dxz -0.482707 -0.363195 0.035640 -0.280309 -0.416224 -0.172500 2C 2dyz 0.306689 0.583073 0.309620 -0.254243 -0.079352 -0.382020 2C 2dx2y2 0.292135 0.264404 0.071669 0.226222 0.436906 0.096132 2C 2dxy -0.126343 0.006881 0.080631 -0.013600 -0.038018 -0.169422 2C 1f0 0.174830 0.100494 -0.045660 0.045796 0.169231 0.147636 2C 1f+1 0.074356 0.073478 -0.050623 -0.080048 -0.083533 0.046345 2C 1f-1 -0.144316 -0.153663 -0.012277 0.064788 0.063600 0.044004 2C 1f+2 -0.212796 -0.050463 0.155812 -0.162675 -0.223511 -0.284886 2C 1f-2 -0.236399 -0.350783 -0.162477 0.151246 0.084823 0.228699 2C 1f+3 -0.037039 0.136514 0.185876 -0.219046 -0.221032 -0.287023 2C 1f-3 0.304214 0.289247 0.005262 -0.055207 0.007668 0.013871 3C 1s -0.007315 0.000294 0.010907 0.001356 -0.002347 0.012845 3C 2s -0.014875 -0.006749 0.015011 -0.008443 0.003833 0.015370 3C 3s 0.134357 0.236445 0.039109 0.467435 -0.298862 0.157459 3C 4s -0.108847 -0.333839 -0.630816 -0.647703 0.210128 -0.626418 3C 5s -0.817351 0.594319 2.446332 1.841749 -2.164502 3.545579 3C 1pz 0.041440 0.031934 -0.018589 0.026072 -0.005361 -0.021591 3C 1px 0.010911 -0.014043 -0.019176 0.009294 -0.018329 -0.011476 3C 1py -0.060766 -0.045004 0.052602 -0.074637 0.024076 0.042805 3C 2pz -1.066163 -0.283432 0.561294 0.712027 -1.024933 0.899266 3C 2px 0.636172 1.316828 0.318592 0.584090 -0.041082 0.380284 3C 2py 0.536893 -0.597448 -0.868451 -1.069765 1.319632 -1.330089 3C 3pz 0.155535 0.131319 -0.000178 0.212509 -0.170961 0.181651 3C 3px -0.246269 -0.227085 0.257294 -0.067264 -0.128680 0.259501 3C 3py 0.152797 0.066108 -0.328914 -0.136865 0.210996 -0.511661 3C 1dz2 0.038130 0.021504 -0.009400 -0.036861 0.068039 -0.028795 3C 1dxz -0.200601 -0.161414 0.075254 -0.001539 -0.124441 0.096128 3C 1dyz -0.142367 -0.274071 -0.077916 -0.173809 0.072412 -0.102183 3C 1dx2y2 0.092866 -0.050083 -0.136806 -0.085134 0.083788 -0.135499 3C 1dxy 0.159782 0.052654 -0.096542 -0.067943 0.139093 -0.120760 3C 2dz2 0.109799 0.022942 -0.157148 0.038760 0.064907 -0.138981 3C 2dxz -0.460700 -0.399240 0.039901 0.205329 -0.452255 0.200106 3C 2dyz -0.187688 -0.631042 -0.337622 -0.281533 0.122115 -0.376232 3C 2dx2y2 0.281036 0.041260 -0.123967 -0.401149 0.497888 -0.312722 3C 2dxy 0.293210 -0.008510 -0.186936 -0.325947 0.387707 -0.302031 3C 1f0 0.212917 0.057747 -0.154715 -0.094948 0.158092 -0.176469 3C 1f+1 0.271428 0.225785 -0.081312 -0.000875 0.141419 -0.103101 3C 1f-1 -0.028936 -0.178061 -0.136362 -0.143065 0.076386 -0.170920 3C 1f+2 -0.060614 0.218794 0.232899 0.371823 -0.318161 0.357247 3C 1f-2 -0.126044 0.045830 0.204610 0.164008 -0.176866 0.270962 3C 1f+3 -0.082852 -0.092627 -0.036024 0.038686 -0.119536 -0.010119 3C 1f-3 -0.292385 -0.336203 -0.004119 -0.115649 -0.048819 -0.007449 4C 1s -0.014400 -0.006933 0.018963 0.019293 0.024020 -0.013664 4C 2s -0.032581 -0.022117 0.034995 0.046338 0.054543 -0.021165 4C 3s -0.331143 0.287484 0.979930 0.402925 0.700816 -1.263126 4C 4s 2.530869 -0.672047 -5.509571 -2.965634 -4.591416 6.700515 4C 5s 0.420910 -0.259947 -1.144914 0.283258 0.380361 1.761047 4C 1pz 0.007588 -0.057740 -0.052361 0.065371 0.086183 0.056600 4C 1px -0.011781 -0.010663 -0.009554 0.018418 -0.000231 0.013333 4C 1py 0.003542 -0.037597 -0.031292 0.053862 0.035616 0.032601 4C 2pz 0.775703 1.046492 -1.307381 -2.532465 -3.059055 1.326338 4C 2px 0.218719 -0.991298 0.824021 1.906597 2.654198 -0.826108 4C 2py 0.472381 0.210356 -0.497707 -0.865234 -0.792786 0.518165 4C 3pz -0.245435 -0.019664 0.441052 -0.439273 -0.551895 -1.648345 4C 3px 0.139229 0.034044 0.000467 -0.184343 0.096094 -0.158185 4C 3py -0.187095 -0.041320 0.318334 -0.317366 -0.261105 -1.098903 4C 1dz2 0.034423 0.106114 0.044163 -0.033712 -0.044088 -0.062004 4C 1dxz -0.195092 -0.191681 0.221045 0.259800 0.294031 -0.271388 4C 1dyz 0.083712 0.075882 -0.070953 -0.083816 -0.111439 0.036082 4C 1dx2y2 0.154265 0.003249 -0.257333 -0.179472 -0.236734 0.295011 4C 1dxy 0.008857 -0.114522 -0.085059 0.001768 -0.031727 0.079929 4C 2dz2 -0.377591 -0.182894 0.047492 0.154455 0.114233 0.064389 4C 2dxz -0.284662 -0.371166 0.890181 1.275555 1.698874 -0.804748 4C 2dyz -0.039838 -0.427363 -0.311403 0.275779 0.146670 0.508276 4C 2dx2y2 0.449406 0.135835 -0.866857 -0.933315 -1.141824 0.796628 4C 2dxy 0.287851 -0.151515 -0.232585 0.172750 0.256550 0.249061 4C 1f0 -0.102253 -0.040840 0.128112 0.090432 0.046279 -0.173059 4C 1f+1 0.089896 0.167585 0.277085 0.180680 0.293834 -0.229053 4C 1f-1 -0.050597 0.080747 0.080310 -0.141809 -0.159570 -0.083730 4C 1f+2 0.144808 0.050112 -0.307562 -0.192602 -0.276707 0.330905 4C 1f-2 0.158181 0.144019 0.096367 0.058089 0.183483 -0.070295 4C 1f+3 0.122680 0.153939 -0.083019 -0.119275 -0.106200 0.113893 4C 1f-3 -0.063783 0.115235 0.158429 0.000599 0.038104 -0.152058 5C 1s -0.014658 -0.007968 0.021332 -0.024187 0.016349 0.006569 5C 2s -0.028480 -0.023064 0.038621 -0.058284 0.041926 0.004907 5C 3s -0.626730 0.172584 1.214319 -0.479808 0.165763 1.074798 5C 4s 3.909575 -0.106549 -6.737956 3.605078 -1.635945 -5.399365 5C 5s 0.817924 -0.157302 -1.433374 -0.414309 0.702492 -1.543152 5C 1pz 0.024869 -0.026017 -0.030987 -0.041391 0.067934 -0.034045 5C 1px 0.012115 -0.015066 -0.025745 -0.037955 0.016545 -0.036350 5C 1py -0.051905 0.048464 0.062432 0.102282 -0.101988 0.078392 5C 2pz 0.223339 0.784071 -1.176723 2.155014 -1.883668 -0.714742 5C 2px 0.390295 -1.133047 0.925375 -1.773156 1.436794 1.352471 5C 2py -0.426282 -0.935672 1.404079 -2.781520 2.294601 0.580430 5C 3pz -0.183875 -0.211101 0.499945 0.181360 -0.468580 0.900236 5C 3px 0.045933 -0.065215 0.202655 0.266886 -0.008986 0.510545 5C 3py 0.176946 0.260248 -0.681964 -0.447649 0.695763 -1.406395 5C 1dz2 -0.063247 0.048903 0.169904 -0.109824 0.065704 0.082610 5C 1dxz -0.137961 -0.121797 0.243120 -0.235839 0.130440 0.202884 5C 1dyz -0.173764 -0.173595 0.184721 -0.238809 0.128688 0.105057 5C 1dx2y2 0.123641 -0.081325 -0.222054 0.077850 -0.064854 -0.146580 5C 1dxy 0.092028 0.176904 -0.160505 0.200903 -0.115423 -0.175476 5C 2dz2 -0.444869 0.095873 0.520623 -0.200660 0.105925 0.293177 5C 2dxz -0.244959 -0.283692 0.846808 -1.172534 0.984625 0.414029 5C 2dyz -0.231987 0.154984 0.821714 -0.271254 0.075532 0.861889 5C 2dx2y2 0.525854 0.206982 -0.628540 0.832955 -0.583990 0.007231 5C 2dxy -0.003630 0.498834 -0.560181 1.290157 -1.085567 -0.326090 5C 1f0 -0.044176 -0.125256 0.135888 -0.267918 0.189986 0.110185 5C 1f+1 -0.055067 0.093267 0.143933 -0.008451 -0.008447 0.045458 5C 1f-1 0.103929 0.074396 0.027829 -0.031195 0.103863 0.027890 5C 1f+2 0.176097 0.095300 -0.133378 -0.012746 0.139888 -0.154989 5C 1f-2 0.037271 -0.016826 -0.373996 0.255014 -0.202493 -0.287650 5C 1f+3 0.009993 0.249516 0.231501 0.011091 0.056048 0.130961 5C 1f-3 0.230318 0.063143 -0.278442 0.152002 -0.036865 -0.178710 6C 1s 0.014498 -0.008525 0.021346 0.023853 -0.016841 0.004908 6C 2s 0.027892 -0.024313 0.038638 0.057531 -0.041603 0.000677 6C 3s 0.639179 0.157489 1.214537 0.467782 -0.299520 1.052821 6C 4s -3.949844 0.000437 -6.739352 -3.529246 2.286165 -5.209660 6C 5s -0.830498 -0.147267 -1.429323 0.420575 -0.498949 -1.610642 6C 1pz 0.025824 0.026384 0.031258 -0.041208 0.061938 0.041222 6C 1px 0.012703 0.015229 0.025462 -0.038125 0.011210 0.037672 6C 1py -0.053572 -0.048608 -0.062328 0.101630 -0.089117 -0.088261 6C 2pz 0.190692 -0.817192 1.167261 2.119782 -1.933400 0.499224 6C 2px 0.462567 1.147566 -0.903325 -1.729903 1.595388 -1.153701 6C 2py -0.394338 0.976181 -1.397665 -2.740177 2.310361 -0.330468 6C 3pz -0.186117 0.211377 -0.496866 0.181027 -0.356016 -0.948689 6C 3px 0.043064 0.065204 -0.196924 0.265484 0.054345 -0.505382 6C 3py 0.185896 -0.260781 0.679467 -0.445362 0.516633 1.476703 6C 1dz2 0.067729 0.046408 0.170402 0.108590 -0.074579 0.076621 6C 1dxz 0.132741 -0.127267 0.241968 0.230121 -0.152493 0.186821 6C 1dyz 0.167238 -0.179888 0.184042 0.234462 -0.138702 0.091093 6C 1dx2y2 -0.129245 -0.078100 -0.222652 -0.076701 0.081711 -0.140727 6C 1dxy -0.082523 0.181772 -0.158234 -0.194762 0.134111 -0.159593 6C 2dz2 0.453235 0.085876 0.522478 0.195933 -0.139204 0.284434 6C 2dxz 0.238189 -0.303040 0.845229 1.156510 -1.019162 0.304807 6C 2dyz 0.236529 0.150075 0.819716 0.261871 -0.188990 0.844478 6C 2dx2y2 -0.526841 0.224643 -0.631698 -0.825290 0.565124 0.060499 6C 2dxy 0.027298 0.512582 -0.554760 -1.269563 1.106931 -0.200138 6C 1f0 -0.037804 0.128946 -0.134645 -0.262535 0.199072 -0.087710 6C 1f+1 -0.060933 -0.092372 -0.144610 -0.010035 -0.001962 -0.047606 6C 1f-1 0.100426 -0.074513 -0.027278 -0.031365 0.107290 -0.014956 6C 1f+2 0.171307 -0.098006 0.132950 -0.015163 0.118449 0.168601 6C 1f-2 0.038086 0.014121 0.372923 0.249980 -0.237588 0.262580 6C 1f+3 -0.002461 -0.249967 -0.232158 0.009596 0.074696 -0.124774 6C 1f-3 0.229106 -0.069176 0.278769 0.147235 -0.056922 0.174671 7C 1s 0.014418 -0.007669 0.018721 -0.019182 -0.022068 -0.016594 7C 2s 0.032570 -0.023753 0.034356 -0.045987 -0.051003 -0.027864 7C 3s 0.337462 0.267667 0.978358 -0.402056 -0.558480 -1.342112 7C 4s -2.561225 -0.531267 -5.487720 2.950628 3.811531 7.229238 7C 5s -0.434809 -0.248785 -1.154924 -0.279445 -0.559342 1.699285 7C 1pz 0.008112 0.057823 0.053868 0.063691 0.088651 -0.045468 7C 1px -0.011668 0.010937 0.009513 0.018263 0.000450 -0.013015 7C 1py 0.004039 0.038035 0.032618 0.053607 0.037603 -0.028117 7C 2pz 0.757841 -1.097279 1.260570 -2.493772 -2.853691 -1.682041 7C 2px 0.291090 1.015869 -0.778571 1.889720 2.585443 1.116632 7C 2py 0.494193 -0.236285 0.488750 -0.857098 -0.701252 -0.620757 7C 3pz -0.245918 0.019485 -0.447970 -0.436669 -0.729448 1.562043 7C 3px 0.144606 -0.035854 0.002834 -0.181175 0.079531 0.166733 7C 3py -0.181852 0.041554 -0.320295 -0.317082 -0.385284 1.055833 7C 1dz2 -0.030853 0.108014 0.046697 0.031657 0.050909 -0.058334 7C 1dxz 0.190859 -0.200647 0.216591 -0.255222 -0.262107 -0.302707 7C 1dyz -0.082189 0.079323 -0.070380 0.084151 0.106277 0.050355 7C 1dx2y2 -0.156924 0.011410 -0.254940 0.177201 0.199580 0.322223 7C 1dxy -0.013500 -0.113557 -0.085955 -0.000546 0.019233 0.085341 7C 2dz2 0.388601 -0.193044 0.048143 -0.150406 -0.102452 0.042601 7C 2dxz 0.264921 -0.395173 0.867939 -1.263835 -1.595484 -1.002885 7C 2dyz 0.037185 -0.428179 -0.319019 -0.269142 -0.187803 0.488214 7C 2dx2y2 -0.456940 0.165718 -0.856113 0.928015 1.032225 0.935286 7C 2dxy -0.301890 -0.147262 -0.239467 -0.171827 -0.292063 0.220347 7C 1f0 -0.106019 0.046479 -0.127550 0.088754 0.028015 0.177344 7C 1f+1 0.089276 -0.165420 -0.274370 0.181646 0.265768 0.264040 7C 1f-1 -0.053081 -0.080597 -0.083712 -0.139090 -0.165296 0.064321 7C 1f+2 0.141229 -0.055164 0.305616 -0.189366 -0.239965 -0.361849 7C 1f-2 0.161702 -0.144926 -0.094588 0.061735 0.179481 0.091744 7C 1f+3 0.120583 -0.158749 0.080479 -0.116208 -0.094195 -0.123677 7C 1f-3 -0.068797 -0.112317 -0.159757 0.002504 0.019866 0.157465 8C 1s 0.007370 0.000130 0.010891 -0.001428 0.000674 0.012998 8C 2s 0.014707 -0.007205 0.015010 0.008253 -0.005656 0.014921 8C 3s -0.126311 0.243433 0.037981 -0.463490 0.270954 0.184280 8C 4s 0.095083 -0.337535 -0.626424 0.646115 -0.124568 -0.633080 8C 5s 0.865433 0.601243 2.438534 -1.837306 1.680372 3.753809 8C 1pz 0.040446 -0.033170 0.018646 0.025673 -0.007805 0.021226 8C 1px 0.012147 0.013742 0.019670 0.009713 -0.019895 0.010018 8C 1py -0.059481 0.046784 -0.052586 -0.073418 0.028402 -0.040595 8C 2pz -1.047987 0.292741 -0.557198 0.713386 -0.890269 -1.003723 8C 2px 0.576983 -1.340325 -0.323908 0.564647 0.029265 -0.382499 8C 2py 0.564040 0.598518 0.870538 -1.066946 1.117527 1.461517 8C 3pz 0.146035 -0.135972 -0.001328 0.208922 -0.144731 -0.198744 8C 3px -0.241203 0.234247 -0.259947 -0.065363 -0.095948 -0.275239 8C 3py 0.153924 -0.066355 0.324768 -0.138360 0.147481 0.531966 8C 1dz2 -0.034721 0.018930 -0.009198 0.037596 -0.062388 -0.035236 8C 1dxz 0.191473 -0.163930 0.074766 -0.001678 0.111728 0.108371 8C 1dyz 0.130404 -0.279625 -0.078795 0.170668 -0.053878 -0.108312 8C 1dx2y2 -0.095154 -0.048898 -0.136241 0.084466 -0.063904 -0.143670 8C 1dxy -0.159030 0.056399 -0.096602 0.068759 -0.122441 -0.135495 8C 2dz2 -0.102792 0.016240 -0.157493 -0.036030 -0.043226 -0.144326 8C 2dxz 0.437355 -0.403373 0.038070 -0.211546 0.422874 0.245703 8C 2dyz 0.160197 -0.640288 -0.340244 0.277248 -0.061424 -0.384902 8C 2dx2y2 -0.278264 0.042913 -0.122380 0.396979 -0.448044 -0.364190 8C 2dxy -0.298898 -0.000992 -0.187403 0.324405 -0.343474 -0.344496 8C 1f0 0.214223 -0.062810 0.155628 -0.096199 0.135173 0.195407 8C 1f+1 0.257915 -0.233579 0.075493 0.003097 0.123333 0.110481 8C 1f-1 -0.022437 0.179482 0.135358 -0.141229 0.049468 0.174367 8C 1f+2 -0.069236 -0.220445 -0.231031 0.368734 -0.263852 -0.384889 8C 1f-2 -0.127808 -0.049389 -0.207564 0.168754 -0.141226 -0.292049 8C 1f+3 -0.075707 0.088181 0.033867 0.043092 -0.120382 -0.005200 8C 1f-3 -0.279002 0.343145 0.003009 -0.107919 -0.056774 -0.001995 9C 1s 0.004364 0.001540 0.008461 0.000524 0.001093 -0.013789 9C 2s 0.012226 -0.005419 0.011549 -0.006915 -0.007768 -0.019502 9C 3s -0.201584 0.251938 0.034886 0.339492 0.431644 -0.044475 9C 4s 0.202058 -0.362603 -0.540272 -0.408495 -0.709652 0.649679 9C 5s 0.242756 1.074564 1.856489 1.523816 1.971214 -3.538484 9C 1pz 0.068301 -0.042696 0.035413 -0.045343 -0.056236 -0.065813 9C 1px -0.000972 0.021430 0.016378 -0.004806 -0.026020 -0.020168 9C 1py 0.027882 -0.019712 0.023072 -0.027952 -0.030652 -0.037852 9C 2pz -0.295228 -0.566443 -0.641827 -0.895779 -0.915177 1.041443 9C 2px 1.174109 -1.366260 -0.189051 -0.114131 0.383712 0.117882 9C 2py 0.059372 -0.533761 -0.552698 -0.581984 -0.526515 0.669650 9C 3pz -0.035966 -0.051161 -0.191048 -0.160388 -0.224075 0.503381 9C 3px -0.334902 0.245365 -0.223308 0.101666 -0.014742 0.314377 9C 3py -0.035438 -0.039434 -0.086635 -0.131192 -0.176022 0.337803 9C 1dz2 -0.049893 0.118493 0.092263 0.074690 0.035117 -0.086595 9C 1dxz 0.246806 -0.180532 0.073050 0.025571 0.108158 -0.102342 9C 1dyz -0.138719 0.233297 0.101781 0.118692 0.077307 -0.105955 9C 1dx2y2 -0.132678 0.072448 -0.058269 -0.011007 -0.059136 0.088895 9C 1dxy 0.068670 -0.041430 -0.003216 0.033237 0.077271 -0.025437 9C 2dz2 0.027429 0.165790 0.152085 0.252996 0.199712 -0.212039 9C 2dxz 0.485214 -0.377741 0.038805 0.281007 0.429524 -0.116135 9C 2dyz -0.297276 0.583469 0.317945 0.245732 0.108737 -0.374691 9C 2dx2y2 -0.293136 0.265003 0.067208 -0.232698 -0.440100 0.040494 9C 2dxy 0.120951 0.013384 0.083691 0.017362 0.049847 -0.163147 9C 1f0 0.178611 -0.103517 0.047426 0.050289 0.182524 -0.124783 9C 1f+1 0.079136 -0.080382 0.050345 -0.077548 -0.071146 -0.058742 9C 1f-1 -0.139835 0.153785 0.011095 0.061821 0.064990 -0.033120 9C 1f+2 -0.208396 0.042491 -0.164628 -0.170199 -0.253293 0.260897 9C 1f-2 -0.235594 0.355844 0.162779 0.143564 0.095145 -0.212518 9C 1f+3 -0.046698 -0.126682 -0.186857 -0.213731 -0.242019 0.253183 9C 1f-3 0.304504 -0.305013 -0.013895 -0.060906 0.003527 -0.001536 10H 1s -0.363622 -0.169807 0.151376 -0.228898 -0.378006 -0.333246 10H 2s -0.926863 -0.690808 0.202193 -0.394133 -0.748810 -0.551070 10H 3s 0.311647 0.053830 -0.384918 0.164496 0.232014 0.572917 10H 1pz -0.215006 -0.129275 0.088967 -0.107945 -0.200159 -0.195090 10H 1px 0.400530 0.229631 -0.167765 0.153677 0.282267 0.323162 10H 1py -0.062573 -0.050675 0.020406 -0.052753 -0.084445 -0.053317 11H 1s 0.240523 0.377293 0.145987 -0.155225 -0.106915 -0.218673 11H 2s 0.543436 0.789381 0.250578 -0.190147 0.008777 -0.364258 11H 3s -0.208045 -0.415133 -0.157936 0.288379 0.233291 0.342197 11H 1pz 0.121074 0.215030 0.084003 -0.117679 -0.080744 -0.147628 11H 1px 0.236115 0.330334 0.102754 -0.100924 -0.025403 -0.140039 11H 1py -0.130071 -0.185413 -0.047060 0.087587 0.070273 0.089665 12H 1s 0.191072 0.320905 0.180218 -0.195924 -0.102803 -0.222567 12H 2s 0.456838 0.654306 0.374699 -0.273368 -0.045769 -0.342754 12H 3s -0.142690 -0.339874 -0.273847 0.246989 0.220840 0.376223 12H 1pz -0.046001 -0.078167 -0.040544 0.037790 0.012777 0.047269 12H 1px 0.159550 0.220829 0.111877 -0.049737 0.024416 -0.104708 12H 1py 0.177248 0.291763 0.179296 -0.185791 -0.104951 -0.204340 13H 1s -0.437341 -0.222775 0.214670 0.247326 -0.430947 0.338015 13H 2s -1.036683 -0.798542 0.351405 0.380645 -0.818869 0.622556 13H 3s 0.411701 0.129087 -0.493590 -0.189741 0.356215 -0.536935 13H 1pz -0.347524 -0.220318 0.163301 0.151370 -0.289576 0.255423 13H 1px 0.381144 0.224886 -0.200594 -0.111782 0.272991 -0.267904 13H 1py 0.158595 0.104816 -0.089668 -0.073867 0.146879 -0.137962 14H 1s 0.048785 0.303549 0.202944 0.286802 -0.164643 0.265469 14H 2s 0.136864 0.682606 0.352596 0.522265 -0.168759 0.422324 14H 3s 0.048326 -0.313007 -0.323558 -0.347355 0.274834 -0.431781 14H 1pz -0.025605 0.121553 0.089880 0.188605 -0.122209 0.135007 14H 1px 0.073458 0.351632 0.212585 0.250925 -0.091296 0.244031 14H 1py -0.008033 0.026554 0.030541 0.034067 -0.032824 0.045674 15H 1s 0.132961 0.347530 0.190892 0.236260 -0.134659 0.241356 15H 2s 0.391107 0.723265 0.329748 0.308717 -0.066110 0.378288 15H 3s -0.122827 -0.357200 -0.209735 -0.359399 0.303114 -0.350301 15H 1pz -0.146897 -0.285977 -0.104463 -0.179554 0.085268 -0.151269 15H 1px 0.081627 0.132915 0.044834 0.041321 0.010115 0.042058 15H 1py -0.100937 -0.248215 -0.138201 -0.193317 0.115351 -0.186859 16H 1s -0.007578 -0.017765 -0.014811 0.031563 0.004142 0.015736 16H 2s -0.037805 -0.026680 -0.020141 -0.051649 0.038020 -0.142140 16H 3s 0.031208 -0.012876 0.003649 -0.023942 0.028683 -0.034136 16H 1pz -0.014683 -0.014114 -0.018540 0.007668 0.033371 -0.036015 16H 1px -0.001296 -0.000834 -0.013707 -0.000075 -0.011479 0.017716 16H 1py 0.002040 -0.009489 -0.006028 0.012970 0.008294 -0.009923 17H 1s 0.012798 0.001565 -0.009384 -0.013284 -0.013625 0.001071 17H 2s -0.033059 0.029781 -0.003628 0.044602 0.031165 0.086110 17H 3s 0.037600 0.001298 0.021116 0.026878 0.040429 0.025214 17H 1pz -0.003858 0.006948 0.011466 0.000232 0.005763 -0.014234 17H 1px -0.015375 -0.015255 -0.016394 -0.025838 -0.004127 -0.034980 17H 1py 0.006838 0.006471 -0.003793 0.010897 0.004135 0.024742 18H 1s -0.013559 0.001863 -0.008824 0.012705 0.013699 0.003209 18H 2s 0.038540 0.030832 -0.006796 -0.040888 -0.045937 0.075872 18H 3s -0.038090 0.001846 0.020828 -0.026745 -0.042289 0.019725 18H 1pz -0.003729 -0.006323 -0.011571 0.000428 0.003426 0.014706 18H 1px -0.014346 0.016170 0.015801 -0.025285 -0.009361 0.032760 18H 1py 0.006486 -0.006568 0.003839 0.010634 0.007152 -0.022639 19H 1s 0.006848 -0.018172 -0.014663 -0.032643 -0.005256 0.016369 19H 2s 0.043393 -0.025886 -0.022631 0.058680 -0.025310 -0.150107 19H 3s -0.030841 -0.012306 0.004047 0.024456 -0.023610 -0.037886 19H 1pz -0.016164 0.014118 0.019355 0.005809 0.029488 0.039889 19H 1px -0.000374 0.000726 0.013438 0.000203 -0.009592 -0.019667 19H 1py 0.001547 0.009982 0.006675 0.013468 0.007591 0.011641 20H 1s -0.118314 0.353547 0.191449 -0.234683 0.097316 0.251866 20H 2s -0.359722 0.735761 0.333365 -0.305381 0.006587 0.378313 20H 3s 0.106539 -0.365218 -0.211618 0.356034 -0.248736 -0.378384 20H 1pz -0.134496 0.290893 0.105695 -0.177603 0.060841 0.157842 20H 1px 0.076665 -0.138014 -0.046866 0.041457 0.016794 -0.042114 20H 1py -0.089642 0.251772 0.138763 -0.191117 0.085903 0.195673 21H 1s -0.034656 0.307642 0.202708 -0.281935 0.123482 0.280334 21H 2s -0.102833 0.687671 0.354734 -0.507951 0.099525 0.437992 21H 3s -0.062592 -0.316603 -0.321492 0.344415 -0.212044 -0.456884 21H 1pz -0.031519 -0.124219 -0.091207 0.186874 -0.101059 -0.148830 21H 1px 0.056923 -0.354123 -0.212000 0.244595 -0.052765 -0.250519 21H 1py -0.008294 -0.028488 -0.030625 0.034619 -0.026223 -0.049264 22H 1s 0.426684 -0.228495 0.213314 -0.250304 0.383390 0.381533 22H 2s 0.995732 -0.816620 0.345044 -0.392607 0.734515 0.703752 22H 3s -0.406795 0.135688 -0.492270 0.193171 -0.282297 -0.571633 22H 1pz -0.333996 0.224280 -0.160460 0.153419 -0.252504 -0.282048 22H 1px 0.371631 -0.232350 0.199870 -0.116330 0.237712 0.296158 22H 1py 0.154730 -0.108557 0.089411 -0.077214 0.129757 0.153547 23H 1s -0.190839 0.326554 0.183394 0.189303 0.118394 -0.207991 23H 2s -0.458425 0.662647 0.380272 0.254401 0.065278 -0.338824 23H 3s 0.143278 -0.346040 -0.275584 -0.240437 -0.252936 0.344144 23H 1pz -0.048743 0.082204 0.041529 0.037383 0.016639 -0.045489 23H 1px 0.156881 -0.219806 -0.109810 -0.043741 0.017465 0.104613 23H 1py 0.179301 -0.298306 -0.183416 -0.179172 -0.118435 0.191549 24H 1s -0.235299 0.383363 0.149545 0.153235 0.122737 -0.204830 24H 2s -0.531888 0.800202 0.256787 0.187057 0.018094 -0.367326 24H 3s 0.200352 -0.421783 -0.165175 -0.283700 -0.259283 0.313348 24H 1pz 0.116251 -0.216335 -0.086214 -0.116325 -0.091079 0.136673 24H 1px 0.234297 -0.339525 -0.107376 -0.099417 -0.035283 0.140169 24H 1py -0.123437 0.183673 0.047919 0.085212 0.074740 -0.079247 25H 1s 0.366583 -0.175857 0.156242 0.232096 0.405943 -0.281798 25H 2s 0.926931 -0.708212 0.207771 0.407530 0.792221 -0.444853 25H 3s -0.314111 0.061502 -0.389755 -0.165386 -0.284393 0.537339 25H 1pz -0.218225 0.134518 -0.091456 -0.112788 -0.218295 0.167804 25H 1px 0.401404 -0.237486 0.170849 0.157504 0.309555 -0.282627 25H 1py -0.057789 0.048566 -0.019648 -0.051314 -0.084074 0.038779 26O 1s -0.012643 -0.002773 0.010295 0.006440 0.004042 -0.007295 26O 2s -0.045915 -0.004550 0.041850 0.022403 0.015048 -0.030004 26O 3s 0.467852 -0.067662 -0.535662 -0.218316 -0.174373 0.406156 26O 4s -1.107266 0.391139 1.456065 0.491734 0.428946 -1.104154 26O 5s -0.734020 0.436875 0.722076 -0.081288 -0.240652 -0.976450 26O 1pz -0.023794 0.001624 0.032790 0.017849 0.064041 -0.041180 26O 1px -0.151062 0.002017 0.118668 0.031952 0.048656 -0.152184 26O 1py -0.050601 0.008580 0.059554 0.034249 0.059853 -0.079040 26O 2pz 0.052841 -0.076923 -0.141070 -0.104310 -0.293534 0.177998 26O 2px 0.679629 -0.312276 -0.802582 -0.124654 -0.200140 0.901693 26O 2py 0.212220 -0.180604 -0.373961 -0.158161 -0.259526 0.427256 26O 3pz 0.116670 0.176182 -0.221989 -0.297175 -0.087889 0.222878 26O 3px 0.450762 -0.049949 -0.393715 -0.112051 0.142400 0.496939 26O 3py 0.348672 0.037701 -0.263520 -0.136606 -0.049075 0.383634 26O 1dz2 -0.007005 0.018398 0.008792 -0.003527 0.015603 -0.028757 26O 1dxz -0.021646 -0.023756 -0.014014 -0.005511 -0.017263 0.006089 26O 1dyz -0.015395 -0.018188 0.008208 0.014342 0.006028 -0.024405 26O 1dx2y2 -0.000588 -0.011575 -0.008155 0.002344 0.008246 0.006392 26O 1dxy -0.021240 -0.023977 -0.012962 -0.002294 -0.002939 0.000134 26O 2dz2 0.098443 -0.056402 -0.151627 -0.040988 -0.033843 0.166688 26O 2dxz 0.018359 0.071174 0.074451 0.035881 0.090675 -0.027769 26O 2dyz -0.000228 0.036110 0.050873 0.020109 0.050364 -0.022733 26O 2dx2y2 -0.170026 0.049818 0.187337 0.019999 0.016199 -0.235052 26O 2dxy -0.113513 0.126039 0.213589 0.061062 0.109704 -0.224510 26O 1f0 0.003200 -0.011527 -0.019871 -0.013795 -0.033656 0.022107 26O 1f+1 -0.000717 -0.022143 -0.004161 0.015743 0.018913 0.020529 26O 1f-1 -0.024443 -0.016662 -0.004053 -0.033154 -0.046164 0.006639 26O 1f+2 0.038362 0.043297 0.012441 -0.010153 0.006494 -0.018965 26O 1f-2 -0.014510 -0.014123 0.029205 0.046833 0.049965 -0.017044 26O 1f+3 0.023150 0.013093 -0.003757 0.000837 0.011455 0.004891 26O 1f-3 0.027241 -0.003181 -0.036093 -0.028593 -0.033131 0.035419 27O 1s -0.012591 -0.003062 0.010960 -0.008669 0.001437 0.000832 27O 2s -0.047471 -0.005281 0.044479 -0.030212 0.005459 0.003460 27O 3s 0.524884 -0.064473 -0.573936 0.291100 -0.060342 -0.074194 27O 4s -1.301566 0.410457 1.560353 -0.649775 0.162034 0.155612 27O 5s -1.157128 0.479090 0.815356 0.076689 -0.349192 0.389675 27O 1pz 0.009411 0.007716 0.003781 -0.011047 0.041851 0.004490 27O 1px -0.174606 -0.000282 0.145811 -0.069008 0.040935 0.067556 27O 1py 0.044224 0.001823 -0.057521 0.041852 -0.041809 -0.040595 27O 2pz -0.074936 -0.033444 0.022392 0.063151 -0.190643 -0.003261 27O 2px 0.899983 -0.348659 -0.971570 0.250904 -0.110472 -0.370201 27O 2py -0.164885 0.109036 0.291264 -0.185915 0.193109 0.165159 27O 3pz -0.032916 0.162382 -0.143057 0.222680 0.037070 -0.063382 27O 3px 0.665107 -0.048894 -0.512784 0.242481 0.278492 -0.213044 27O 3py -0.214617 -0.131565 0.266267 -0.294337 0.005955 0.181479 27O 1dz2 0.002274 0.025716 0.000962 0.013757 0.007834 -0.000330 27O 1dxz -0.012056 -0.010865 -0.002371 0.004460 -0.011889 0.000822 27O 1dyz 0.018631 0.005952 -0.016691 0.010667 -0.007993 -0.033735 27O 1dx2y2 0.001121 -0.016809 -0.018974 0.002791 0.003515 -0.012274 27O 1dxy 0.023383 0.032241 0.013402 0.002130 0.007935 -0.005629 27O 2dz2 0.149431 -0.070673 -0.199329 0.055997 -0.017229 -0.081102 27O 2dxz 0.070240 0.028019 -0.021311 -0.017611 0.069773 -0.055499 27O 2dyz 0.015673 -0.006500 -0.011241 0.000314 -0.015448 -0.002168 27O 2dx2y2 -0.246917 0.093189 0.278418 -0.073086 0.008460 0.129281 27O 2dxy 0.067300 -0.116826 -0.163306 0.054104 -0.078968 -0.053166 27O 1f0 -0.001774 -0.007860 -0.005154 -0.017108 0.002792 -0.004664 27O 1f+1 0.024990 0.003624 -0.032215 0.025745 -0.012378 -0.012797 27O 1f-1 0.001927 0.015991 0.019177 -0.017844 0.031639 0.009412 27O 1f+2 0.031875 0.020672 0.003234 -0.026161 0.037096 0.003778 27O 1f-2 0.019775 0.041445 -0.010635 0.057461 -0.035625 0.021405 27O 1f+3 0.007016 -0.015581 -0.003451 0.006026 -0.000355 0.000837 27O 1f-3 -0.001784 0.020251 0.045650 -0.034264 0.032286 0.031118 28O 1s -0.009675 -0.007710 0.015963 0.017274 0.024591 -0.011644 28O 2s -0.039908 -0.031857 0.067969 0.073265 0.101846 -0.052711 28O 3s 0.469622 0.359229 -0.915922 -0.955030 -1.305863 0.776555 28O 4s -1.167343 -0.911642 2.760774 2.835099 3.875963 -2.448711 28O 5s -0.294520 -0.266955 1.329123 2.127858 2.848261 -1.432102 28O 1pz -0.134518 -0.102613 0.166737 0.237757 0.269784 -0.200805 28O 1px 0.104818 0.086132 -0.176647 -0.249722 -0.303129 0.186296 28O 1py -0.035624 -0.038784 0.029025 0.060684 0.043582 -0.046406 28O 2pz 0.654298 0.491627 -1.137861 -1.396797 -1.723986 1.301882 28O 2px -0.494337 -0.371081 1.321210 1.546919 2.006880 -1.362518 28O 2py 0.180423 0.189405 -0.168526 -0.310039 -0.264718 0.256631 28O 3pz 0.192596 0.290596 -0.588897 -0.426904 -0.834527 0.628901 28O 3px -0.083081 -0.188349 0.575549 0.776593 1.222849 -0.604105 28O 3py 0.184832 0.173172 -0.190016 0.124314 -0.086080 0.128902 28O 1dz2 0.012925 0.008265 -0.008432 -0.002697 0.012903 0.011692 28O 1dxz -0.020427 -0.009863 0.035092 0.013936 0.025867 -0.041045 28O 1dyz 0.008480 0.013272 -0.006583 0.001933 0.004415 -0.009397 28O 1dx2y2 -0.010836 -0.007305 -0.010027 -0.021427 -0.017539 0.017830 28O 1dxy -0.009591 0.001864 0.008364 0.005561 -0.000437 -0.020972 28O 2dz2 -0.148263 -0.107889 0.076344 0.092517 0.083126 -0.088905 28O 2dxz 0.260504 0.197653 -0.499064 -0.559349 -0.709536 0.550332 28O 2dyz -0.109172 -0.086306 0.076633 0.115242 0.099639 -0.076209 28O 2dx2y2 -0.073675 -0.048560 0.297753 0.309920 0.441798 -0.315933 28O 2dxy 0.099599 0.113410 -0.073358 -0.091264 -0.088078 0.068318 28O 1f0 -0.018291 -0.006276 -0.004229 -0.020891 -0.040744 -0.000890 28O 1f+1 0.073028 0.048516 -0.035106 -0.021840 -0.016356 0.058687 28O 1f-1 -0.024893 -0.007845 0.032862 0.021542 0.012056 -0.024967 28O 1f+2 -0.026972 -0.031257 0.031235 0.051362 0.061035 -0.040572 28O 1f-2 0.053099 0.046651 -0.015924 -0.020115 -0.017032 0.019462 28O 1f+3 -0.006583 -0.009254 0.019815 0.026573 0.046941 -0.015728 28O 1f-3 0.009396 0.006746 -0.000245 0.001246 0.014506 0.016496 29O 1s -0.003898 -0.001390 -0.003851 -0.001376 -0.002645 -0.000260 29O 2s -0.013430 -0.004787 -0.012250 -0.005072 -0.009471 -0.001144 29O 3s 0.124948 0.041816 0.093336 0.054665 0.101313 0.015627 29O 4s -0.311185 -0.089433 -0.105878 -0.134563 -0.313573 -0.066231 29O 5s 0.512024 0.150518 -0.108672 0.121462 0.606811 0.177130 29O 1pz 0.020240 0.011166 0.028748 -0.012244 -0.017312 -0.006352 29O 1px -0.011019 -0.013557 -0.063879 -0.007317 0.001969 0.011175 29O 1py 0.003264 -0.000235 -0.006733 -0.014580 0.009206 -0.004328 29O 2pz -0.066140 -0.037577 -0.079601 0.024171 0.064364 -0.034670 29O 2px 0.029631 0.031700 0.146489 0.010234 -0.002448 -0.041702 29O 2py -0.004143 -0.001035 0.012707 0.050248 -0.010337 0.017903 29O 3pz 0.080842 -0.017966 0.007211 -0.058334 0.037047 -0.093573 29O 3px -0.170472 -0.060099 -0.000009 -0.051596 -0.221626 -0.062074 29O 3py -0.031231 -0.003298 -0.011969 -0.041138 0.019654 -0.036511 29O 1dz2 -0.000137 -0.004269 0.002873 -0.004701 -0.000626 -0.003117 29O 1dxz 0.000273 0.008387 0.006228 0.001753 0.000919 0.001937 29O 1dyz -0.001629 0.007616 -0.000452 -0.004108 0.006145 -0.000400 29O 1dx2y2 0.001308 0.002139 -0.010518 -0.000647 0.000248 0.001438 29O 1dxy -0.002223 -0.002515 -0.004812 0.000763 -0.003950 0.004110 29O 2dz2 0.002291 0.009383 0.016579 -0.016189 -0.017802 0.009130 29O 2dxz -0.004302 0.005189 0.015744 -0.003287 -0.009136 -0.015363 29O 2dyz 0.013451 0.021323 0.013110 0.000559 -0.011435 0.033570 29O 2dx2y2 0.002713 -0.007915 -0.024827 0.003153 0.012801 0.002052 29O 2dxy 0.001400 -0.002945 -0.015244 0.001019 -0.002226 0.018006 29O 1f0 -0.004901 -0.000530 -0.004668 -0.000538 0.001407 0.003143 29O 1f+1 0.004216 -0.002628 0.003884 0.002331 -0.002823 0.012128 29O 1f-1 0.004950 0.004425 0.006519 -0.007559 -0.002631 -0.002421 29O 1f+2 0.002639 0.012254 0.011543 0.003138 0.012033 -0.004839 29O 1f-2 -0.001430 0.001492 0.004218 -0.001828 0.005947 -0.004991 29O 1f+3 0.008865 0.007381 0.024631 -0.000266 0.005029 -0.001457 29O 1f-3 0.001891 0.003771 -0.000388 -0.004358 0.000724 -0.005670 30O 1s -0.007944 -0.009360 0.018601 -0.021632 0.018077 0.008304 30O 2s -0.034034 -0.039160 0.079908 -0.091356 0.073283 0.039403 30O 3s 0.435084 0.461075 -1.085777 1.178608 -0.904383 -0.612572 30O 4s -1.139069 -1.231174 3.268490 -3.468059 2.647858 1.974017 30O 5s -0.589270 -0.284078 1.713372 -2.390969 1.903087 1.381533 30O 1pz -0.102366 -0.099183 0.155665 -0.223242 0.135396 0.122167 30O 1px 0.079389 0.083892 -0.203961 0.261307 -0.189665 -0.145012 30O 1py 0.105785 0.104869 -0.181012 0.250144 -0.132182 -0.139954 30O 2pz 0.532727 0.494972 -1.065487 1.303623 -0.864993 -0.822416 30O 2px -0.454457 -0.418079 1.488042 -1.632045 1.210213 1.081045 30O 2py -0.565115 -0.539885 1.175355 -1.438438 0.862970 0.918285 30O 3pz 0.164457 0.225407 -0.541942 0.432170 -0.428918 -0.427334 30O 3px -0.113092 -0.158584 0.624849 -0.866626 0.790901 0.498674 30O 3py -0.294545 -0.341476 0.627300 -0.304533 0.537885 0.395206 30O 1dz2 0.002152 -0.003259 0.004375 0.001057 0.008992 -0.003217 30O 1dxz -0.013679 -0.009344 0.029895 -0.013030 0.019010 0.020632 30O 1dyz -0.007315 -0.016763 0.020088 -0.014329 -0.002323 0.009612 30O 1dx2y2 -0.019071 -0.012591 0.003714 0.011267 -0.011342 -0.004805 30O 1dxy 0.020360 0.004109 -0.033676 0.019501 0.001229 -0.042290 30O 2dz2 -0.000154 -0.015771 -0.119858 0.095362 -0.076571 -0.095958 30O 2dxz 0.178434 0.158785 -0.425212 0.470505 -0.322368 -0.336923 30O 2dyz 0.225336 0.198678 -0.338771 0.409989 -0.236518 -0.241095 30O 2dx2y2 0.055464 0.069927 0.132932 -0.092010 0.135524 0.118127 30O 2dxy -0.201488 -0.200951 0.464453 -0.485265 0.333761 0.340484 30O 1f0 0.030583 0.026965 -0.055361 0.049094 -0.028389 -0.036349 30O 1f+1 0.011454 0.006789 0.000342 -0.001402 0.009275 -0.008577 30O 1f-1 0.011422 0.016013 -0.007737 0.029698 -0.014657 0.003196 30O 1f+2 0.025805 0.008241 -0.012594 -0.012602 0.024197 -0.003984 30O 1f-2 -0.063431 -0.065273 0.052557 -0.068867 0.042900 0.036579 30O 1f+3 0.051156 0.037696 -0.016296 0.003301 0.029852 -0.029736 30O 1f-3 0.013424 0.000419 0.018845 -0.028161 0.026672 0.024889 31O 1s 0.007632 -0.009818 0.018511 0.021295 -0.018831 0.006282 31O 2s 0.032664 -0.041061 0.079522 0.089851 -0.077027 0.031132 31O 3s -0.418342 0.484492 -1.080922 -1.157844 0.966312 -0.509023 31O 4s 1.094306 -1.294680 3.255203 3.405387 -2.852544 1.669071 31O 5s 0.566083 -0.320393 1.701273 2.347389 -2.043693 1.148596 31O 1pz -0.098320 0.103614 -0.155326 -0.219225 0.147710 -0.106679 31O 1px 0.076054 -0.088799 0.202920 0.256995 -0.204688 0.122840 31O 1py 0.101698 -0.109541 0.180450 0.245971 -0.146463 0.125006 31O 2pz 0.512081 -0.519140 1.062249 1.278742 -0.950809 0.721565 31O 2px -0.437543 0.445978 -1.481387 -1.602546 1.326646 -0.937763 31O 2py -0.543543 0.565561 -1.170994 -1.411730 0.959002 -0.817619 31O 3pz 0.158356 -0.235453 0.538511 0.423966 -0.475063 0.378112 31O 3px -0.104772 0.170614 -0.620187 -0.851558 0.840641 -0.403773 31O 3py -0.286035 0.357103 -0.623608 -0.297391 0.579309 -0.334179 31O 1dz2 -0.002552 -0.003314 0.004192 -0.001107 -0.008637 -0.004432 31O 1dxz 0.013403 -0.009973 0.029763 0.012646 -0.021435 0.018293 31O 1dyz 0.006542 -0.017002 0.020048 0.013636 0.001149 0.009781 31O 1dx2y2 0.018569 -0.012925 0.003704 -0.011212 0.011803 -0.003477 31O 1dxy -0.020116 0.004527 -0.033572 -0.018775 0.003941 -0.042157 31O 2dz2 -0.000973 -0.014488 -0.119109 -0.094137 0.087980 -0.086338 31O 2dxz -0.171647 0.167391 -0.423603 -0.461063 0.358349 -0.298965 31O 2dyz -0.216816 0.207469 -0.337310 -0.401651 0.261004 -0.213199 31O 2dx2y2 -0.052232 0.069596 0.132489 0.090866 -0.149663 0.102093 31O 2dxy 0.193631 -0.210886 0.462209 0.475724 -0.369826 0.300869 31O 1f0 0.029309 -0.028176 0.055073 0.048033 -0.032398 0.032941 31O 1f+1 0.011046 -0.007004 -0.000191 -0.001730 0.008167 0.009544 31O 1f-1 0.011411 -0.016720 0.007990 0.029120 -0.013284 -0.004054 31O 1f+2 0.025828 -0.008770 0.012757 -0.012716 0.023560 0.006725 31O 1f-2 -0.060867 0.067514 -0.052204 -0.067067 0.045836 -0.031953 31O 1f+3 0.049436 -0.038633 0.016092 0.002820 0.026223 0.032933 31O 1f-3 0.013253 -0.000102 -0.018608 -0.027765 0.029478 -0.021486 32O 1s 0.003890 -0.001437 -0.003847 0.001465 0.002623 0.000011 32O 2s 0.013389 -0.004950 -0.012230 0.005358 0.009433 -0.000148 32O 3s -0.124243 0.043334 0.092810 -0.056824 -0.101724 0.004254 32O 4s 0.310666 -0.092343 -0.103623 0.138957 0.317252 -0.029986 32O 5s -0.521178 0.151152 -0.111231 -0.133201 -0.615561 0.113094 32O 1pz 0.020041 -0.011874 -0.028857 -0.012184 -0.017880 0.004537 32O 1px -0.010242 0.013927 0.064135 -0.007434 0.003405 -0.011043 32O 1py 0.003685 0.000203 0.006731 -0.014966 0.008338 0.005431 32O 2pz -0.066479 0.039795 0.080208 0.023029 0.059594 0.041162 32O 2px 0.028665 -0.032353 -0.147661 0.011134 -0.008697 0.040182 32O 2py -0.006334 0.001209 -0.011819 0.050289 -0.006412 -0.016782 32O 3pz 0.081110 0.016518 -0.007632 -0.059802 0.024736 0.097216 32O 3px -0.170384 0.061223 -0.001884 -0.052435 -0.226368 0.034484 32O 3py -0.034563 0.003274 0.013365 -0.046999 0.016976 0.044530 32O 1dz2 -0.000045 -0.004502 0.002900 0.005014 0.001345 -0.003277 32O 1dxz -0.000277 0.008330 0.006295 -0.001871 -0.001077 0.001656 32O 1dyz 0.001941 0.007518 -0.000574 0.004037 -0.006202 -0.001101 32O 1dx2y2 -0.001417 0.002060 -0.010380 0.000895 -0.000218 0.001175 32O 1dxy 0.001839 -0.002613 -0.004834 -0.000998 0.003588 0.004602 32O 2dz2 -0.002132 0.008681 0.016604 0.016179 0.016661 0.009731 32O 2dxz 0.004324 0.004838 0.016014 0.002928 0.010931 -0.014300 32O 2dyz -0.013553 0.022002 0.013445 -0.000587 0.007629 0.034533 32O 2dx2y2 -0.002639 -0.008317 -0.025192 -0.002639 -0.013171 -0.000568 32O 2dxy -0.001355 -0.003027 -0.015582 -0.000851 -0.000268 0.017197 32O 1f0 -0.005122 0.000791 0.005240 0.000135 0.002289 -0.003362 32O 1f+1 0.004563 0.002498 -0.003631 0.002258 -0.001397 -0.012240 32O 1f-1 0.004686 -0.004863 -0.006788 -0.007742 -0.002387 0.002307 32O 1f+2 0.002002 -0.011988 -0.010908 0.003410 0.011550 0.006247 32O 1f-2 -0.001786 -0.001391 -0.003761 -0.001641 0.005465 0.005006 32O 1f+3 0.008172 -0.007692 -0.024542 0.000132 0.005718 0.002130 32O 1f-3 0.001819 -0.004017 -0.000171 -0.004333 -0.000089 0.005332 33O 1s 0.009469 -0.008288 0.015650 -0.017177 -0.023013 -0.014513 33O 2s 0.039033 -0.034237 0.066663 -0.072764 -0.094909 -0.064515 33O 3s -0.458368 0.388216 -0.899466 0.947498 1.208008 0.926886 33O 4s 1.130806 -0.989526 2.713115 -2.812561 -3.574928 -2.895008 33O 5s 0.284492 -0.312274 1.291803 -2.104375 -2.672792 -1.761031 33O 1pz -0.132183 0.110029 -0.162821 0.234985 0.244133 0.231171 33O 1px 0.102130 -0.092972 0.172720 -0.247606 -0.279938 -0.221247 33O 1py -0.035015 0.039885 -0.028858 0.060179 0.037948 0.052032 33O 2pz 0.639691 -0.530989 1.114256 -1.380047 -1.562863 -1.496185 33O 2px -0.476711 0.409278 -1.296996 1.534189 1.844072 1.593588 33O 2py 0.178175 -0.196148 0.167528 -0.307121 -0.234339 -0.290268 33O 3pz 0.182759 -0.307708 0.579370 -0.422879 -0.756699 -0.727008 33O 3px -0.075017 0.206234 -0.561073 0.769504 1.147790 0.745941 33O 3py 0.178787 -0.181063 0.190560 0.120409 -0.071630 -0.138706 33O 1dz2 -0.013067 0.008397 -0.008437 0.002356 -0.013861 0.009925 33O 1dxz 0.020088 -0.010673 0.034844 -0.013598 -0.021462 -0.043573 33O 1dyz -0.008259 0.013426 -0.006586 -0.002179 -0.003237 -0.010005 33O 1dx2y2 0.010904 -0.007372 -0.009779 0.021102 0.015609 0.019902 33O 1dxy 0.010226 0.001555 0.008556 -0.005167 0.002909 -0.020986 33O 2dz2 0.148297 -0.112911 0.073802 -0.089226 -0.070802 -0.095892 33O 2dxz -0.255036 0.213976 -0.489650 0.552606 0.642629 0.630447 33O 2dyz 0.109662 -0.090158 0.076139 -0.113579 -0.090214 -0.088291 33O 2dx2y2 0.069049 -0.056033 0.292742 -0.308124 -0.404566 -0.366806 33O 2dxy -0.098218 0.116769 -0.073227 0.090362 0.080094 0.079550 33O 1f0 -0.018105 0.005846 0.004151 -0.020837 -0.040091 -0.004648 33O 1f+1 0.073154 -0.050813 0.034574 -0.020862 -0.009238 -0.059662 33O 1f-1 -0.025605 0.008763 -0.032793 0.020888 0.008886 0.026358 33O 1f+2 -0.026352 0.032819 -0.030153 0.050500 0.055893 0.047217 33O 1f-2 0.053539 -0.048299 0.016080 -0.019171 -0.013435 -0.022087 33O 1f+3 -0.005305 0.009670 -0.019072 0.026659 0.044803 0.021001 33O 1f-3 0.009666 -0.006780 0.000611 0.001536 0.015895 -0.014613 34O 1s 0.012656 -0.003379 0.011044 0.008588 -0.001416 0.000881 34O 2s 0.048056 -0.006445 0.044830 0.029990 -0.005454 0.003700 34O 3s -0.537751 -0.052262 -0.578356 -0.290024 0.065627 -0.077513 34O 4s 1.348799 0.381754 1.573010 0.652738 -0.172829 0.165371 34O 5s 1.182621 0.461728 0.827858 -0.084815 0.308012 0.444775 34O 1pz 0.008648 -0.007299 -0.003685 -0.011149 0.042076 0.000044 34O 1px -0.177492 0.004445 -0.146844 -0.067843 0.046892 -0.065844 34O 1py 0.044924 -0.002910 0.057601 0.041321 -0.046144 0.036461 34O 2pz -0.072366 0.032255 -0.022879 0.063475 -0.189111 -0.017801 34O 2px 0.932310 0.329601 0.979324 0.250136 -0.148274 0.374245 34O 2py -0.174065 -0.104902 -0.292773 -0.185365 0.210679 -0.147056 34O 3pz -0.037886 -0.161157 0.141871 0.222689 0.028843 0.066852 34O 3px 0.676283 0.037730 0.519331 0.241626 0.253850 0.253060 34O 3py -0.215375 0.138007 -0.267144 -0.293720 0.026306 -0.180841 34O 1dz2 -0.001102 0.025707 0.001006 -0.013443 -0.007814 -0.001349 34O 1dxz 0.011682 -0.011014 -0.002363 -0.004411 0.011780 0.002062 34O 1dyz -0.018224 0.006527 -0.016584 -0.010086 0.011946 -0.032543 34O 1dx2y2 -0.002049 -0.016951 -0.019158 -0.002928 -0.001837 -0.012824 34O 1dxy -0.021693 0.032763 0.013438 -0.001457 -0.007739 -0.006481 34O 2dz2 -0.155517 -0.067561 -0.200629 -0.055857 0.026435 -0.082039 34O 2dxz -0.068630 0.028708 -0.021381 0.018453 -0.062626 -0.062716 34O 2dyz -0.015683 -0.005798 -0.011227 0.000225 0.015518 -0.000796 34O 2dx2y2 0.255677 0.087922 0.280416 0.072596 -0.022599 0.132209 34O 2dxy -0.074524 -0.115058 -0.164398 -0.054556 0.084939 -0.046517 34O 1f0 -0.001527 0.007839 0.005071 -0.017251 0.002164 0.004817 34O 1f+1 0.025533 -0.004417 0.032275 0.025781 -0.013543 0.011763 34O 1f-1 0.000849 -0.015192 -0.019130 -0.017903 0.032514 -0.005846 34O 1f+2 0.030866 -0.021164 -0.003354 -0.026111 0.037264 0.000184 34O 1f-2 0.018158 -0.042569 0.010540 0.056751 -0.031850 -0.024885 34O 1f+3 0.008034 0.015609 0.003994 0.005771 0.000177 -0.000080 34O 1f-3 -0.002925 -0.019965 -0.045655 -0.034190 0.035973 -0.027526 35O 1s 0.012902 -0.003170 0.010311 -0.006410 -0.002952 -0.007867 35O 2s 0.047093 -0.006024 0.041969 -0.022354 -0.010581 -0.032205 35O 3s -0.484168 -0.051831 -0.538015 0.219095 0.115703 0.432295 35O 4s 1.156041 0.352655 1.464256 -0.497692 -0.267947 -1.171388 35O 5s 0.780108 0.412350 0.739159 0.090604 0.373029 -0.956584 35O 1pz -0.023573 -0.000299 -0.032283 0.018127 0.058401 0.048818 35O 1px -0.156151 0.003057 -0.119389 0.030937 0.027001 0.158864 35O 1py -0.053263 -0.005866 -0.059931 0.033973 0.048118 0.087668 35O 2pz 0.053063 0.071588 0.138851 -0.106138 -0.267879 -0.213756 35O 2px 0.713153 0.288018 0.809451 -0.124443 -0.074981 -0.932462 35O 2py 0.227725 0.169175 0.377199 -0.159210 -0.197502 -0.465661 35O 3pz 0.113994 -0.178573 0.219628 -0.297706 -0.062708 -0.231075 35O 3px 0.467879 0.038012 0.399749 -0.109392 0.206718 -0.483326 35O 3py 0.355458 -0.046657 0.264172 -0.134895 -0.002909 -0.386376 35O 1dz2 0.007453 0.017979 0.008762 0.003736 -0.012199 -0.030366 35O 1dxz 0.021639 -0.023941 -0.013774 0.005947 0.016787 0.008215 35O 1dyz 0.014900 -0.018673 0.008171 -0.014023 -0.003304 -0.024959 35O 1dx2y2 0.000030 -0.011538 -0.008310 -0.002044 -0.008926 0.005490 35O 1dxy 0.021055 -0.024621 -0.013148 0.002831 0.002845 0.000880 35O 2dz2 -0.104218 -0.052890 -0.153049 0.041256 0.011258 0.172172 35O 2dxz -0.018169 0.070134 0.073795 -0.037927 -0.085641 -0.039501 35O 2dyz 0.000718 0.035018 0.050752 -0.020753 -0.046748 -0.029763 35O 2dx2y2 0.176763 0.044142 0.188459 -0.019662 0.014066 -0.236875 35O 2dxy 0.121839 0.120773 0.215401 -0.061496 -0.078323 -0.240656 35O 1f0 0.002668 0.011443 0.019477 -0.013921 -0.030924 -0.025993 35O 1f+1 0.000317 0.022418 0.004881 0.015801 0.021434 -0.018754 35O 1f-1 -0.024596 0.016728 0.003938 -0.033387 -0.044587 -0.012747 35O 1f+2 0.038736 -0.043953 -0.012338 -0.009220 0.005287 0.019382 35O 1f-2 -0.014811 0.015628 -0.028416 0.046847 0.047020 0.023047 35O 1f+3 0.023314 -0.013760 0.003527 0.000652 0.011957 -0.002988 35O 1f-3 0.028147 0.002105 0.035937 -0.028415 -0.027804 -0.039661 606 607 608 609 610 611 4.57376 4.59261 4.61607 4.63403 4.76333 4.76524 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s 0.000337 -0.000048 0.007570 -0.001522 0.001024 0.000775 0Rh 2s -0.003693 0.000617 -0.065111 0.013121 -0.008908 -0.006965 0Rh 3s -0.000186 0.000078 0.006476 -0.001286 0.000828 0.000497 0Rh 4s 0.021151 -0.003540 0.376027 -0.075862 0.051825 0.040468 0Rh 5s -0.054522 0.009658 -0.915327 0.185317 -0.128175 -0.100740 0Rh 6s 0.075608 -0.016389 0.977573 -0.200742 0.140962 0.114407 0Rh 7s 0.051688 0.005598 -2.013706 0.440984 -0.319124 -0.287922 0Rh 8s -0.164230 0.038458 -0.176548 0.056579 0.039475 -0.045359 0Rh 1pz -0.002899 0.000477 -0.004248 0.002294 0.016581 0.014651 0Rh 1px 0.002018 -0.000081 -0.003353 -0.000554 0.002204 0.008213 0Rh 1py -0.000627 0.000817 0.001747 0.004664 0.016872 -0.016565 0Rh 2pz 0.011444 -0.001828 0.017011 -0.009198 -0.067050 -0.059334 0Rh 2px -0.008166 0.000354 0.013843 0.002143 -0.008886 -0.033177 0Rh 2py 0.002574 -0.003113 -0.006958 -0.018811 -0.068277 0.066982 0Rh 3pz -0.025821 0.002630 -0.044621 0.024181 0.188848 0.169146 0Rh 3px 0.023410 -0.001554 -0.045267 -0.004108 0.024391 0.092746 0Rh 3py -0.008289 0.004244 0.017322 0.052023 0.193512 -0.188535 0Rh 4pz -0.000933 0.008747 0.033708 -0.017437 -0.193743 -0.181505 0Rh 4px -0.025829 0.003388 0.069197 -0.001986 -0.022495 -0.092874 0Rh 4py 0.013282 0.015097 -0.008890 -0.048779 -0.203307 0.192649 0Rh 5pz 0.079937 -0.037313 0.022103 -0.015187 0.076387 0.092223 0Rh 5px 0.002531 -0.002412 -0.097214 0.015485 0.000093 0.031011 0Rh 5py -0.020965 -0.058208 -0.021463 0.005300 0.091369 -0.072098 0Rh 6pz -0.221559 0.087770 -0.628136 0.171717 -0.296076 -0.381852 0Rh 6px 0.206233 -0.040339 1.898388 -0.361617 0.209405 0.066955 0Rh 6py 0.095264 0.072105 0.379840 -0.032822 -0.250606 0.231701 0Rh 1dz2 0.009261 -0.002644 0.002710 -0.015010 0.004608 0.005165 0Rh 1dxz 0.006040 -0.004016 0.014250 -0.003651 -0.004573 -0.004884 0Rh 1dyz 0.002374 -0.005663 -0.008818 -0.034453 0.005024 -0.003531 0Rh 1dx2y2 -0.015063 0.001752 -0.019374 0.000092 0.000426 -0.006773 0Rh 1dxy -0.001536 0.000801 -0.009918 -0.012246 -0.005475 0.002527 0Rh 2dz2 0.001672 0.000177 -0.000151 -0.000332 0.001038 0.000944 0Rh 2dxz -0.000928 0.000311 0.000832 -0.000460 -0.001400 -0.000982 0Rh 2dyz 0.000747 0.001262 -0.000226 -0.001083 0.000617 -0.000710 0Rh 2dx2y2 -0.001375 0.000005 -0.000395 0.000236 0.000032 -0.001310 0Rh 2dxy 0.000745 0.001927 -0.000450 -0.000849 -0.001462 0.001250 0Rh 3dz2 -0.046637 0.010097 -0.010755 0.065423 -0.025027 -0.026914 0Rh 3dxz -0.020779 0.015412 -0.064421 0.017759 0.026582 0.025847 0Rh 3dyz -0.013623 0.017558 0.038409 0.151636 -0.024828 0.018767 0Rh 3dx2y2 0.069299 -0.007349 0.083944 -0.001513 -0.001990 0.035713 0Rh 3dxy 0.002769 -0.012525 0.044289 0.056169 0.030754 -0.016960 0Rh 4dz2 0.083021 -0.013875 0.015269 -0.112916 0.051983 0.052079 0Rh 4dxz 0.023546 -0.021536 0.111843 -0.033154 -0.056174 -0.049954 0Rh 4dyz 0.026937 -0.018582 -0.065646 -0.263546 0.049522 -0.038950 0Rh 4dx2y2 -0.114022 0.010340 -0.139203 0.003774 0.003609 -0.071699 0Rh 4dxy 0.002724 0.032589 -0.077687 -0.102196 -0.062104 0.037938 0Rh 5dz2 -0.075556 0.067315 0.018433 0.300653 -0.130601 -0.061425 0Rh 5dxz -0.021551 0.021794 -0.186169 0.056888 0.102432 0.056470 0Rh 5dyz 0.007004 0.152193 0.182081 0.708655 -0.165456 0.118944 0Rh 5dx2y2 0.130654 0.016071 0.215596 0.026069 -0.009672 0.141243 0Rh 5dxy -0.001707 0.013318 0.170361 0.292072 0.067049 -0.051026 0Rh 1f0 0.002719 0.007644 -0.005043 0.005480 -0.002076 0.008859 0Rh 1f+1 0.007167 -0.011954 0.000195 -0.009126 0.005836 0.001946 0Rh 1f-1 0.001906 0.013368 0.003757 0.008467 -0.014615 -0.000798 0Rh 1f+2 0.010211 0.006733 0.010166 0.001286 -0.000648 0.014770 0Rh 1f-2 -0.008463 -0.019801 -0.000017 -0.014110 -0.003020 0.000024 0Rh 1f+3 0.010060 0.002063 0.007656 -0.002632 -0.000158 -0.000366 0Rh 1f-3 0.009523 0.004554 0.008190 0.008765 0.002568 -0.001044 1Rh 1s 0.000063 0.000075 -0.007610 0.001515 -0.001040 -0.000809 1Rh 2s -0.001345 -0.000450 0.065461 -0.013081 0.009048 0.007247 1Rh 3s -0.000425 0.000181 -0.006510 0.001271 -0.000840 -0.000528 1Rh 4s 0.007624 0.002608 -0.378042 0.075625 -0.052639 -0.042106 1Rh 5s -0.021813 -0.005267 0.920200 -0.184790 0.130179 0.104737 1Rh 6s 0.041309 -0.000592 -0.982634 0.200456 -0.143099 -0.118483 1Rh 7s 0.120105 -0.024132 2.014314 -0.437288 0.321056 0.290739 1Rh 8s -0.158274 0.037812 0.180367 -0.061711 -0.038061 0.047321 1Rh 1pz 0.002906 -0.000454 -0.004337 0.002358 0.016537 0.014605 1Rh 1px -0.002301 0.000181 -0.003277 -0.000532 0.002181 0.008171 1Rh 1py 0.000591 -0.000681 0.001757 0.004733 0.016797 -0.016509 1Rh 2pz -0.011475 0.001734 0.017363 -0.009450 -0.066871 -0.059148 1Rh 2px 0.009318 -0.000758 0.013544 0.002053 -0.008791 -0.033003 1Rh 2py -0.002425 0.002566 -0.006996 -0.019081 -0.067977 0.066758 1Rh 3pz 0.025958 -0.002397 -0.045404 0.024776 0.188379 0.168676 1Rh 3px -0.026868 0.002702 -0.044530 -0.003851 0.024093 0.092192 1Rh 3py 0.007835 -0.002712 0.017387 0.052600 0.192708 -0.187956 1Rh 4pz 0.000697 -0.008896 0.033674 -0.017548 -0.193420 -0.181250 1Rh 4px 0.030305 -0.004645 0.068800 -0.002317 -0.022071 -0.092077 1Rh 4py -0.012688 -0.016695 -0.008803 -0.048619 -0.202674 0.192272 1Rh 5pz -0.079565 0.037118 0.024309 -0.016667 0.076735 0.092754 1Rh 5px -0.007514 0.003407 -0.098021 0.016192 -0.000406 0.030174 1Rh 5py 0.020360 0.059130 -0.021908 0.003241 0.091721 -0.072533 1Rh 6pz 0.201386 -0.080374 -0.629827 0.177203 -0.295328 -0.383521 1Rh 6px -0.127233 0.015128 1.902707 -0.367798 0.211360 0.068484 1Rh 6py -0.083294 -0.081723 0.381797 -0.028869 -0.251766 0.231621 1Rh 1dz2 0.009145 -0.002219 -0.002787 0.015226 -0.004472 -0.005142 1Rh 1dxz 0.005519 -0.003904 -0.014322 0.003796 0.004698 0.004900 1Rh 1dyz 0.002305 -0.004733 0.008811 0.034757 -0.005213 0.003487 1Rh 1dx2y2 -0.014487 0.001783 0.019425 -0.000363 -0.000254 0.006684 1Rh 1dxy -0.001385 0.001085 0.009984 0.012389 0.005498 -0.002521 1Rh 2dz2 0.001676 0.000174 0.000131 0.000362 -0.001054 -0.000951 1Rh 2dxz -0.000955 0.000315 -0.000806 0.000448 0.001400 0.000977 1Rh 2dyz 0.000740 0.001293 0.000231 0.001109 -0.000645 0.000700 1Rh 2dx2y2 -0.001361 0.000010 0.000412 -0.000251 -0.000029 0.001316 1Rh 2dxy 0.000745 0.001948 0.000449 0.000827 0.001458 -0.001250 1Rh 3dz2 -0.046162 0.008325 0.011171 -0.066481 0.024515 0.026852 1Rh 3dxz -0.018463 0.014921 0.064600 -0.018315 -0.027124 -0.025893 1Rh 3dyz -0.013302 0.013493 -0.038401 -0.153047 0.025783 -0.018525 1Rh 3dx2y2 0.066809 -0.007500 -0.084237 0.002727 0.001224 -0.035361 1Rh 3dxy 0.002130 -0.013827 -0.044561 -0.056669 -0.030831 0.016940 1Rh 4dz2 0.082254 -0.010999 -0.016058 0.114827 -0.051276 -0.052069 1Rh 4dxz 0.019724 -0.020749 -0.111949 0.033943 0.057071 0.049961 1Rh 4dyz 0.026382 -0.011687 0.065671 0.266042 -0.051352 0.038424 1Rh 4dx2y2 -0.109979 0.010668 0.139780 -0.005774 -0.002295 0.071187 1Rh 4dxy 0.003754 0.034929 0.078109 0.102894 0.062194 -0.037902 1Rh 5dz2 -0.074207 0.060256 -0.017514 -0.304170 0.130376 0.062067 1Rh 5dxz -0.017108 0.021425 0.186738 -0.057886 -0.103169 -0.055870 1Rh 5dyz 0.007288 0.134484 -0.182377 -0.714575 0.168090 -0.117371 1Rh 5dx2y2 0.125428 0.014014 -0.216939 -0.023884 0.007838 -0.141174 1Rh 5dxy -0.003210 0.006341 -0.171034 -0.294146 -0.067024 0.050852 1Rh 1f0 -0.002948 -0.007544 -0.005109 0.005511 -0.002066 0.008797 1Rh 1f+1 -0.006975 0.011535 0.000445 -0.009255 0.005842 0.002034 1Rh 1f-1 -0.001701 -0.013258 0.003802 0.008722 -0.014580 -0.000836 1Rh 1f+2 -0.010101 -0.006665 0.010337 0.001509 -0.000697 0.014815 1Rh 1f-2 0.008480 0.019259 -0.000058 -0.014241 -0.003095 0.000095 1Rh 1f+3 -0.009586 -0.002211 0.007959 -0.002509 -0.000147 -0.000289 1Rh 1f-3 -0.009332 -0.004202 0.008381 0.008664 0.002680 -0.001061 2C 1s -0.005388 0.001227 -0.001519 0.001185 -0.023270 -0.005122 2C 2s -0.002570 -0.005877 -0.001931 0.000608 -0.004237 -0.001189 2C 3s -0.250307 0.353418 0.019287 -0.053735 -2.314588 -0.520870 2C 4s 0.275359 0.013400 -0.588436 1.266644 11.641436 2.643226 2C 5s -1.601826 2.244018 -0.525320 1.460583 -4.508621 -0.768571 2C 1pz -0.005971 0.030364 0.017236 -0.043205 -0.256294 -0.063285 2C 1px -0.027730 0.056602 -0.012655 0.054095 -0.044598 -0.008650 2C 1py -0.007202 0.024122 0.008288 -0.014079 -0.177645 -0.037876 2C 2pz -1.478971 1.996093 -1.176342 2.275462 5.305723 1.292937 2C 2px 0.248355 -0.532433 -0.070093 -0.367755 0.882160 0.197609 2C 2py -0.889137 1.156755 -0.740490 1.313372 3.618421 0.823642 2C 3pz -0.075816 0.197121 -0.035407 0.125885 -0.281313 -0.028608 2C 3px -0.062117 0.084285 0.025862 0.096074 -0.007937 0.020641 2C 3py -0.075209 0.184562 -0.021426 0.132786 -0.205702 -0.015479 2C 1dz2 -0.089037 0.100335 -0.069718 0.092295 0.220866 0.050203 2C 1dxz -0.131330 0.168987 -0.044341 0.180974 0.103707 0.028943 2C 1dyz -0.122985 0.158501 -0.107531 0.148702 0.332309 0.080519 2C 1dx2y2 0.090695 -0.107580 0.042265 -0.115490 -0.088379 -0.028285 2C 1dxy -0.074499 0.116720 -0.034072 0.116974 0.068228 0.022919 2C 2dz2 -0.355111 0.502434 -0.305084 0.559856 1.176630 0.295167 2C 2dxz -0.392887 0.657413 -0.202675 0.498852 0.646653 0.152142 2C 2dyz -0.347701 0.366620 -0.364245 0.528201 1.737673 0.403002 2C 2dx2y2 0.407993 -0.698086 0.235488 -0.610595 -0.592584 -0.135933 2C 2dxy -0.096568 0.088924 -0.063014 0.123647 0.329021 0.086310 2C 1f0 0.141285 -0.173802 0.018840 -0.113066 0.204726 0.044934 2C 1f+1 -0.035289 0.081756 -0.021047 0.045559 0.145328 0.033278 2C 1f-1 0.013945 0.026855 -0.049949 0.119717 0.730591 0.165074 2C 1f+2 -0.256036 0.291978 -0.063106 0.176281 -0.555443 -0.111627 2C 1f-2 0.177057 -0.153615 0.104100 -0.099045 0.554591 0.115017 2C 1f+3 -0.278832 0.335374 -0.130779 0.235914 -0.199135 -0.035880 2C 1f-3 -0.005611 -0.004023 -0.043024 -0.003103 -0.053724 -0.016169 3C 1s -0.002128 0.000462 -0.001688 0.000191 0.005003 -0.023193 3C 2s 0.005209 0.005354 -0.001206 0.000240 0.001108 -0.004180 3C 3s -0.375582 -0.208523 0.004271 0.072784 0.501834 -2.314371 3C 4s 0.100071 -0.062062 -0.900876 -0.826286 -2.517517 11.665676 3C 5s -1.752103 -1.478366 -1.226333 -0.636086 0.839098 -4.442827 3C 1pz 0.000245 0.003387 0.031839 0.026912 0.031640 -0.163550 3C 1px -0.048810 -0.028613 -0.032149 -0.029915 0.023784 -0.095814 3C 1py 0.043812 0.030247 -0.021882 -0.023865 -0.058010 0.254752 3C 2pz -1.429299 -0.895569 -1.274404 -0.818842 -0.676342 3.344038 3C 2px 0.051450 -0.003511 -0.182346 0.074605 -0.437571 1.951967 3C 2py 1.850860 0.988899 1.810218 1.126509 1.153165 -5.304126 3C 3pz -0.089578 -0.105882 -0.093114 -0.026102 0.025077 -0.210575 3C 3px -0.097383 -0.080033 -0.067273 -0.097712 0.010722 -0.085648 3C 3py 0.031520 0.180440 0.094074 0.059793 -0.029354 0.260099 3C 1dz2 0.089601 0.051916 0.065645 0.045322 0.013905 -0.076372 3C 1dxz -0.179295 -0.085544 -0.129548 -0.116333 -0.019177 0.101379 3C 1dyz 0.112107 0.061497 0.104108 0.033547 0.068391 -0.293250 3C 1dx2y2 0.104856 0.062783 0.096304 0.037905 0.046740 -0.221619 3C 1dxy 0.175242 0.101186 0.136554 0.102274 0.036729 -0.197923 3C 2dz2 0.047574 -0.000389 0.071430 0.055915 0.088577 -0.323739 3C 2dxz -0.670564 -0.374767 -0.470659 -0.350691 -0.118249 0.631303 3C 2dyz 0.215098 0.066118 0.377005 0.188886 0.322024 -1.496484 3C 2dx2y2 0.681400 0.450262 0.591930 0.358182 0.261817 -1.238469 3C 2dxy 0.471059 0.300751 0.371068 0.200586 0.231335 -1.073948 3C 1f0 0.190843 0.123217 0.167870 0.094052 0.056108 -0.261940 3C 1f+1 0.142660 0.082909 0.066166 0.061156 -0.005071 0.032022 3C 1f-1 0.141924 0.053301 0.115638 0.055383 -0.034158 0.138065 3C 1f+2 -0.370057 -0.182698 -0.151174 -0.050254 0.173427 -0.808990 3C 1f-2 -0.220584 -0.106748 -0.127503 -0.051891 0.127847 -0.603504 3C 1f+3 -0.154373 -0.088067 -0.095423 -0.089597 -0.072221 0.355308 3C 1f-3 -0.026628 -0.008056 0.047321 -0.025666 0.025247 -0.087074 4C 1s 0.009956 -0.022870 0.003799 -0.009012 0.010829 0.002695 4C 2s 0.028291 -0.056881 0.013815 -0.028742 -0.003316 -0.000660 4C 3s -0.134193 -0.527054 -0.151869 0.202374 1.773712 0.488314 4C 4s 0.131099 3.624954 0.580720 -0.576296 -8.891210 -2.406226 4C 5s 0.608428 -0.623301 0.208231 -0.494725 1.487636 0.178945 4C 1pz 0.097592 -0.135497 0.054221 -0.117252 -0.290478 -0.061025 4C 1px 0.038663 -0.054332 0.068142 -0.082091 -0.038665 -0.009338 4C 1py 0.068178 -0.094112 0.050957 -0.098116 -0.184164 -0.053088 4C 2pz -0.872147 2.549464 -0.245112 0.777506 6.236828 1.255506 4C 2px -2.037076 2.400970 -3.396671 5.656895 -0.014909 0.240281 4C 2py -1.275188 2.426145 -1.394381 2.577958 3.677209 0.887804 4C 3pz -0.266766 0.781278 0.044540 0.464725 -0.922981 -0.128038 4C 3px -0.071876 0.162539 -0.278664 -0.017481 -0.108676 -0.031717 4C 3py -0.164632 0.511407 -0.072876 0.247579 -0.615160 -0.060196 4C 1dz2 0.086788 -0.183125 0.140674 -0.254323 -0.185351 -0.046324 4C 1dxz -0.124598 0.012653 -0.159758 0.290026 -0.140826 -0.007445 4C 1dyz -0.034469 0.054518 0.016951 -0.034209 -0.360014 -0.078896 4C 1dx2y2 -0.057120 0.287963 -0.059204 0.121492 0.083650 -0.000608 4C 1dxy -0.155570 0.276855 -0.161598 0.306026 -0.122460 -0.023604 4C 2dz2 0.770658 -1.137000 0.873869 -1.554176 -1.215987 -0.306298 4C 2dxz -0.057694 -0.548069 -0.606269 0.839966 -1.130062 -0.153565 4C 2dyz 0.491998 -0.542676 0.434466 -0.757769 -2.135154 -0.533524 4C 2dx2y2 -0.617354 1.450414 -0.426433 0.894812 0.697117 0.133320 4C 2dxy -0.380844 0.725381 -0.681290 1.146389 -0.713997 -0.137773 4C 1f0 -0.039315 -0.008108 -0.018357 0.081731 0.067629 0.025597 4C 1f+1 0.064307 -0.268849 -0.012955 -0.084262 0.112020 0.036895 4C 1f-1 -0.068990 0.105823 0.001660 0.036821 0.663225 0.150838 4C 1f+2 0.132909 -0.035342 0.184812 -0.336920 -0.207917 -0.079573 4C 1f-2 -0.077211 0.078996 -0.197031 0.240422 0.153484 0.047912 4C 1f+3 0.132997 -0.109913 0.130239 -0.281328 0.180694 0.021479 4C 1f-3 0.161231 -0.318520 0.209824 -0.387273 0.086806 0.021397 5C 1s 0.022536 0.014267 0.008260 0.003751 -0.002659 0.010957 5C 2s 0.056769 0.035092 0.026366 0.013216 0.000202 -0.003349 5C 3s 0.400340 0.418112 -0.139313 -0.123746 -0.440049 1.805054 5C 4s -3.079585 -2.709179 0.275169 0.416660 2.191647 -9.057131 5C 5s 0.460139 0.378401 0.374229 0.284306 -0.228260 1.453308 5C 1pz 0.073635 0.039722 0.039317 0.025668 0.044635 -0.173373 5C 1px 0.070106 0.039604 0.111757 0.046024 0.021733 -0.088442 5C 1py -0.145932 -0.083445 -0.099124 -0.067815 -0.052848 0.291268 5C 2pz -1.252151 -0.946979 0.547592 0.255472 -0.818419 3.776667 5C 2px -2.671540 -1.485014 -6.358336 -3.501435 -0.192269 1.182092 5C 2py 2.662673 1.844265 1.082198 0.704032 1.211464 -6.082802 5C 3pz -0.143726 -0.377918 -0.105325 -0.142970 0.087461 -0.576922 5C 3px -0.095668 -0.233310 -0.281640 0.112257 -0.014747 -0.296006 5C 3py 0.306701 0.629596 0.299632 0.190659 -0.164058 0.903298 5C 1dz2 0.221030 0.156886 0.179215 0.093487 -0.031301 0.092045 5C 1dxz 0.061630 0.076366 -0.123009 -0.080200 0.020982 -0.129563 5C 1dyz 0.051648 0.040417 -0.155597 -0.100465 -0.066243 0.307949 5C 1dx2y2 -0.295299 -0.212268 -0.307857 -0.182102 -0.024914 0.167077 5C 1dxy 0.115907 0.029115 0.315158 0.181390 -0.051237 0.238889 5C 2dz2 0.624895 0.417687 0.691441 0.359977 -0.130469 0.540309 5C 2dxz 0.765576 0.573107 -0.245764 -0.101354 0.187368 -0.941646 5C 2dyz -0.397754 -0.130612 -1.116304 -0.647273 -0.393041 1.721576 5C 2dx2y2 -1.679212 -1.058219 -1.776409 -0.967417 -0.224065 1.275970 5C 2dxy -0.338601 -0.228964 1.023932 0.527330 -0.347212 1.612707 5C 1f0 0.083413 0.066225 -0.140390 -0.082413 0.095633 -0.446980 5C 1f+1 0.227289 0.157614 0.325337 0.186203 -0.018791 0.021340 5C 1f-1 -0.009084 0.011997 -0.122437 -0.050527 0.022413 -0.103466 5C 1f+2 0.224682 0.130760 0.241493 0.178496 0.080221 -0.385654 5C 1f-2 0.030706 -0.020165 0.425913 0.218245 0.060431 -0.242914 5C 1f+3 0.227691 0.133848 0.191157 0.133474 -0.092047 0.360548 5C 1f-3 -0.114804 -0.105199 -0.075526 0.004173 0.032167 -0.149045 6C 1s 0.022671 0.014188 -0.008602 -0.003917 0.002644 -0.010913 6C 2s 0.056979 0.034801 -0.027353 -0.013724 -0.000205 0.003394 6C 3s 0.408507 0.419470 0.140861 0.126693 0.435819 -1.801541 6C 4s -3.123555 -2.711260 -0.264682 -0.423524 -2.170509 9.038171 6C 5s 0.466273 0.365597 -0.391845 -0.308313 0.233533 -1.458152 6C 1pz -0.074105 -0.038971 0.041184 0.026541 0.044580 -0.173152 6C 1px -0.068480 -0.039140 0.113579 0.046866 0.021665 -0.088150 6C 1py 0.145828 0.081839 -0.102744 -0.069520 -0.052948 0.290868 6C 2pz 1.298600 0.945972 0.523349 0.244540 -0.820702 3.777042 6C 2px 2.520805 1.420947 -6.414108 -3.528350 -0.187568 1.169493 6C 2py -2.687280 -1.824600 1.139119 0.730484 1.214267 -6.079479 6C 3pz 0.150821 0.374548 -0.112137 -0.163058 0.091803 -0.573994 6C 3px 0.088518 0.238925 -0.286046 0.100247 -0.012183 -0.292760 6C 3py -0.312603 -0.626312 0.311068 0.224457 -0.171503 0.898311 6C 1dz2 0.218799 0.154610 -0.182316 -0.094909 0.030987 -0.092158 6C 1dxz 0.066433 0.077444 0.122763 0.080365 -0.021505 0.129765 6C 1dyz 0.056670 0.042148 0.155714 0.100868 0.065728 -0.307208 6C 1dx2y2 -0.290913 -0.208462 0.312299 0.184155 0.025238 -0.167044 6C 1dxy 0.108312 0.026323 -0.317907 -0.182604 0.051606 -0.239360 6C 2dz2 0.613800 0.410458 -0.700728 -0.363633 0.129850 -0.540577 6C 2dxz 0.790939 0.573426 0.231646 0.094024 -0.189016 0.944418 6C 2dyz -0.372647 -0.117880 1.131233 0.655097 0.389940 -1.715987 6C 2dx2y2 -1.657203 -1.038743 1.809185 0.982806 0.224408 -1.272689 6C 2dxy -0.380408 -0.237171 -1.015712 -0.524027 0.349112 -1.616295 6C 1f0 -0.089360 -0.067127 -0.139038 -0.082164 0.096070 -0.447303 6C 1f+1 -0.221894 -0.154257 0.328866 0.187928 -0.018752 0.021802 6C 1f-1 0.004372 -0.012504 -0.122768 -0.050606 0.022210 -0.103462 6C 1f+2 -0.223081 -0.126955 0.247232 0.181621 0.079948 -0.385057 6C 1f-2 -0.017726 0.023840 0.428656 0.219917 0.059312 -0.240845 6C 1f+3 -0.226533 -0.131147 0.193587 0.133724 -0.091564 0.360255 6C 1f-3 0.113034 0.104682 -0.076006 0.003991 0.031667 -0.148444 7C 1s 0.010071 -0.022837 -0.004058 0.009483 -0.010786 -0.002664 7C 2s 0.028393 -0.056586 -0.014557 0.030081 0.003284 0.000599 7C 3s -0.122183 -0.537018 0.153806 -0.204258 -1.763915 -0.480064 7C 4s 0.068984 3.670440 -0.577649 0.563604 8.842513 2.367415 7C 5s 0.606408 -0.614030 -0.222131 0.528613 -1.492215 -0.173886 7C 1pz -0.096648 0.132909 0.056839 -0.121679 -0.288765 -0.059280 7C 1px -0.036770 0.052483 0.069197 -0.083781 -0.038016 -0.008835 7C 1py -0.067647 0.092987 0.053222 -0.102113 -0.184243 -0.052320 7C 2pz 0.902248 -2.558508 -0.274857 0.842803 6.210447 1.223039 7C 2px 1.895744 -2.223864 -3.449682 5.729302 -0.034995 0.229927 7C 2py 1.246278 -2.376639 -1.436094 2.652872 3.681953 0.871086 7C 3pz 0.276186 -0.775206 0.039778 0.498382 -0.930176 -0.132452 7C 3px 0.063332 -0.159780 -0.280041 -0.011304 -0.106787 -0.032963 7C 3py 0.168689 -0.512942 -0.076863 0.273120 -0.620301 -0.064206 7C 1dz2 0.082224 -0.176953 -0.143054 0.258519 0.183337 0.044941 7C 1dxz -0.116432 0.002626 0.162383 -0.292911 0.140480 0.006937 7C 1dyz -0.035798 0.056535 -0.016480 0.033661 0.359808 0.077541 7C 1dx2y2 -0.057383 0.285867 0.061044 -0.125663 -0.085308 0.000786 7C 1dxy -0.150790 0.268980 0.166237 -0.312853 0.122135 0.023414 7C 2dz2 0.742487 -1.096440 -0.893006 1.584310 1.198744 0.295176 7C 2dxz -0.017006 -0.588652 0.605600 -0.829534 1.126086 0.148415 7C 2dyz 0.482933 -0.528201 -0.450472 0.786712 2.131509 0.523770 7C 2dx2y2 -0.618487 1.440104 0.445316 -0.929556 -0.704026 -0.130032 7C 2dxy -0.357334 0.693567 0.694002 -1.166896 0.714366 0.136334 7C 1f0 0.038093 0.010815 -0.019254 0.082548 0.062398 0.024279 7C 1f+1 -0.068929 0.269678 -0.010379 -0.089676 0.108679 0.035690 7C 1f-1 0.071026 -0.106493 -0.000273 0.040930 0.660968 0.147530 7C 1f+2 -0.125285 0.025782 0.189314 -0.343169 -0.208169 -0.078700 7C 1f-2 0.067698 -0.069362 -0.199099 0.243606 0.151487 0.046538 7C 1f+3 -0.127029 0.100937 0.132856 -0.283931 0.180871 0.021075 7C 1f-3 -0.155676 0.309301 0.214002 -0.393912 0.088851 0.022037 8C 1s -0.002114 0.000433 0.001811 -0.000103 -0.005015 0.023195 8C 2s 0.005305 0.005309 0.001245 -0.000201 -0.001127 0.004192 8C 3s -0.379485 -0.210324 0.001909 -0.068967 -0.501124 2.313032 8C 4s 0.114311 -0.042286 0.904551 0.824908 2.514615-11.657889 8C 5s -1.761182 -1.461827 1.278038 0.704676 -0.852581 4.440348 8C 1pz 0.000388 -0.002711 0.032130 0.027327 0.031489 -0.163268 8C 1px 0.049145 0.028340 -0.033116 -0.030305 0.023611 -0.095520 8C 1py -0.044321 -0.030610 -0.021771 -0.024051 -0.057693 0.254650 8C 2pz 1.424155 0.876164 -1.310934 -0.840322 -0.674030 3.337016 8C 2px -0.065408 0.000515 -0.185440 0.071926 -0.435115 1.945160 8C 2py -1.842915 -0.967238 1.864487 1.155266 1.149899 -5.299170 8C 3pz 0.089958 0.104546 -0.095181 -0.031790 0.026334 -0.209162 8C 3px 0.097505 0.077075 -0.069568 -0.102174 0.011593 -0.085176 8C 3py -0.034455 -0.178835 0.097402 0.070976 -0.032306 0.259903 8C 1dz2 0.088278 0.050222 -0.066701 -0.045466 -0.013915 0.076304 8C 1dxz -0.179842 -0.083007 0.133458 0.117945 0.019290 -0.101417 8C 1dyz 0.109412 0.060479 -0.107129 -0.034898 -0.068239 0.292742 8C 1dx2y2 0.104385 0.062014 -0.099872 -0.040365 -0.046346 0.220597 8C 1dxy 0.176736 0.099665 -0.141786 -0.105382 -0.036575 0.197703 8C 2dz2 0.042283 -0.004162 -0.070402 -0.053480 -0.088136 0.323268 8C 2dxz -0.673139 -0.367640 0.485345 0.357986 0.118495 -0.631492 8C 2dyz 0.205211 0.061592 -0.384940 -0.191850 -0.320960 1.494224 8C 2dx2y2 0.680855 0.441822 -0.610188 -0.369838 -0.260589 1.234987 8C 2dxy 0.474945 0.298455 -0.386571 -0.210353 -0.230547 1.072856 8C 1f0 -0.193952 -0.122705 0.175096 0.098991 0.055268 -0.259287 8C 1f+1 -0.137142 -0.077242 0.064502 0.061018 -0.003695 0.025201 8C 1f-1 -0.138490 -0.051657 0.118469 0.056827 -0.033762 0.136696 8C 1f+2 0.370027 0.181341 -0.159043 -0.054995 0.173145 -0.806920 8C 1f-2 0.224882 0.107840 -0.135771 -0.056552 0.129284 -0.609009 8C 1f+3 0.156979 0.086913 -0.099874 -0.090718 -0.071726 0.352608 8C 1f-3 0.035014 0.009891 0.044678 -0.027086 0.025611 -0.089132 9C 1s -0.005351 0.001179 0.001650 -0.001319 0.023258 0.005011 9C 2s -0.002480 -0.005958 0.002004 -0.000635 0.004283 0.001139 9C 3s -0.253328 0.355903 -0.013295 0.047334 2.308713 0.510664 9C 4s 0.291931 -0.012361 0.585348 -1.281426-11.609290 -2.588494 9C 5s -1.601994 2.219726 0.563525 -1.553378 4.515904 0.761680 9C 1pz 0.006719 -0.031086 0.017193 -0.043644 -0.255280 -0.062117 9C 1px 0.027647 -0.055618 -0.013489 0.055500 -0.044018 -0.008398 9C 1py 0.007872 -0.025651 0.007956 -0.013687 -0.177403 -0.037153 9C 2pz 1.457146 -1.955515 -1.219077 2.352945 5.276867 1.264649 9C 2px -0.262500 0.535016 -0.062228 -0.382732 0.869783 0.191490 9C 2py 0.875050 -1.124543 -0.768367 1.361622 3.612417 0.806135 9C 3pz 0.077720 -0.197078 -0.037189 0.136320 -0.283439 -0.030260 9C 3px 0.064169 -0.081525 0.024745 0.100254 -0.008848 0.020374 9C 3py 0.075589 -0.181472 -0.022040 0.139765 -0.206347 -0.014670 9C 1dz2 -0.085708 0.095925 0.071365 -0.094739 -0.217562 -0.048421 9C 1dxz -0.132736 0.166928 0.047796 -0.187784 -0.101953 -0.028050 9C 1dyz -0.121036 0.156366 0.111694 -0.156105 -0.331709 -0.078778 9C 1dx2y2 0.090951 -0.106486 -0.045200 0.120084 0.088992 0.028244 9C 1dxy -0.072741 0.112421 0.035652 -0.117752 -0.067848 -0.022519 9C 2dz2 -0.344228 0.483845 0.312723 -0.572100 -1.161557 -0.286681 9C 2dxz -0.396746 0.653580 0.213696 -0.523243 -0.638235 -0.147381 9C 2dyz -0.340643 0.358619 0.376814 -0.550744 -1.736275 -0.395752 9C 2dx2y2 0.409692 -0.692458 -0.249557 0.634492 0.596333 0.134580 9C 2dxy -0.090116 0.079765 0.064345 -0.118676 -0.328157 -0.084948 9C 1f0 -0.143249 0.174251 0.023607 -0.119248 0.199474 0.042847 9C 1f+1 0.030847 -0.075288 -0.020913 0.042446 0.145064 0.032468 9C 1f-1 -0.013104 -0.026202 -0.051486 0.122489 0.724780 0.161105 9C 1f+2 0.263592 -0.295695 -0.072946 0.189903 -0.569493 -0.112320 9C 1f-2 -0.167179 0.143046 0.106305 -0.099283 0.547853 0.111620 9C 1f+3 0.275194 -0.329147 -0.135900 0.246606 -0.193714 -0.034117 9C 1f-3 0.013663 -0.007662 -0.049170 0.005636 -0.064683 -0.018188 10H 1s -0.376835 0.512560 -0.119188 0.367932 -0.234286 -0.035625 10H 2s -0.936496 1.354041 -0.463288 1.120554 -0.262741 -0.040033 10H 3s 0.413712 -0.518330 0.179423 -0.424300 0.633709 0.104177 10H 1pz -0.260683 0.350386 -0.118587 0.296678 -0.209065 -0.038158 10H 1px 0.370838 -0.483403 0.157451 -0.401681 0.145116 0.018489 10H 1py -0.104061 0.153077 -0.053690 0.124341 -0.091196 -0.019093 11H 1s -0.160531 0.134468 -0.090082 0.096670 -0.340817 -0.065253 11H 2s -0.181650 0.065163 -0.156432 0.028282 -0.512068 -0.100124 11H 3s 0.243863 -0.275505 0.096341 -0.170812 0.741837 0.137253 11H 1pz -0.113463 0.125136 -0.069433 0.063922 -0.250013 -0.048537 11H 1px -0.081891 0.043349 -0.060334 0.020650 -0.224438 -0.043851 11H 1py 0.100177 -0.106684 0.063544 -0.086135 0.081952 0.014211 12H 1s -0.172636 0.169247 -0.104217 0.106040 -0.298278 -0.058565 12H 2s -0.207180 0.102890 -0.137786 -0.024214 -0.373669 -0.107289 12H 3s 0.248500 -0.239543 0.076474 -0.130038 0.689120 0.145798 12H 1pz 0.047916 -0.045787 0.036079 -0.052431 -0.023728 -0.009096 12H 1px -0.032188 -0.024698 -0.027354 -0.028762 -0.148007 -0.034805 12H 1py -0.158581 0.153753 -0.088586 0.060397 -0.256858 -0.063643 13H 1s -0.505599 -0.285707 -0.270052 -0.194972 0.054900 -0.231305 13H 2s -1.282937 -0.719231 -0.904496 -0.591910 0.090850 -0.262055 13H 3s 0.494488 0.277789 0.356888 0.215719 -0.131976 0.627779 13H 1pz -0.421209 -0.236979 -0.291498 -0.188328 0.046538 -0.172156 13H 1px 0.365752 0.192171 0.238951 0.165599 -0.027938 0.102998 13H 1py 0.230596 0.120966 0.165212 0.110938 -0.044001 0.173452 14H 1s -0.186829 -0.112989 -0.140359 -0.015338 0.051565 -0.276866 14H 2s -0.140943 -0.124428 -0.063031 0.117550 0.081139 -0.315486 14H 3s 0.222345 0.174490 0.110162 0.030342 -0.144227 0.654254 14H 1pz -0.129397 -0.092641 -0.061745 -0.000350 0.031402 -0.128928 14H 1px -0.081927 -0.052443 -0.053828 0.040863 0.051559 -0.238108 14H 1py -0.052339 -0.029257 -0.053414 -0.030022 -0.011908 0.053803 15H 1s -0.170443 -0.054423 -0.110280 -0.036003 0.068224 -0.342567 15H 2s -0.161888 0.030570 -0.130890 0.011361 0.102289 -0.527181 15H 3s 0.321053 0.142725 0.182785 0.067247 -0.142687 0.739559 15H 1pz 0.133167 0.040029 0.093959 0.028129 -0.031878 0.155436 15H 1px 0.021031 0.021145 0.013944 0.025791 0.017255 -0.097093 15H 1py 0.162916 0.061384 0.100046 0.026647 -0.057793 0.296383 16H 1s 0.002928 0.024675 0.025858 0.041461 -0.015439 -0.008211 16H 2s -0.058208 -0.092235 -0.059188 -0.100559 -0.019854 -0.015340 16H 3s 0.027232 -0.027946 -0.025493 -0.039910 -0.031945 -0.020727 16H 1pz -0.008941 -0.023132 -0.003711 -0.015698 -0.017458 -0.010454 16H 1px 0.001489 0.019088 0.003539 0.023251 0.012279 0.006195 16H 1py -0.009488 -0.009617 -0.000586 0.001041 -0.004069 -0.008662 17H 1s -0.006722 -0.022243 -0.012755 -0.036826 0.017311 0.007045 17H 2s 0.051676 0.091751 -0.042559 0.058491 -0.015026 0.036452 17H 3s 0.049806 0.009801 0.000213 0.033911 -0.008896 0.035222 17H 1pz 0.002802 -0.008541 0.015992 0.004842 -0.002330 -0.002343 17H 1px -0.018432 -0.019247 0.022268 -0.006338 -0.001802 -0.025816 17H 1py 0.005686 0.004505 -0.014931 -0.003911 0.008259 0.006494 18H 1s -0.006607 -0.019855 0.012460 0.035494 -0.017390 -0.007076 18H 2s 0.053232 0.083769 0.043222 -0.053612 0.013418 -0.035782 18H 3s 0.050461 0.007905 -0.000819 -0.032675 0.007875 -0.035092 18H 1pz -0.002159 0.008393 0.016353 0.005369 -0.002709 -0.002545 18H 1px 0.019083 0.017796 0.022360 -0.005527 -0.002661 -0.025541 18H 1py -0.005904 -0.004092 -0.014198 -0.003512 0.008385 0.006060 19H 1s 0.002677 0.024315 -0.026071 -0.042430 0.015771 0.007978 19H 2s -0.055880 -0.093549 0.059996 0.106348 0.020017 0.014302 19H 3s 0.028500 -0.027112 0.024783 0.040505 0.032427 0.019734 19H 1pz 0.007971 0.023272 -0.003949 -0.017082 -0.017619 -0.009717 19H 1px -0.001294 -0.019029 0.003507 0.023978 0.012505 0.005917 19H 1py 0.009366 0.010173 -0.000403 0.000719 -0.004535 -0.008665 20H 1s -0.168855 -0.054241 0.115205 0.038443 -0.068432 0.342366 20H 2s -0.155503 0.029212 0.136345 -0.011300 -0.101999 0.526001 20H 3s 0.320060 0.140635 -0.190232 -0.072246 0.143513 -0.738856 20H 1pz -0.131548 -0.039870 0.097903 0.029673 -0.031883 0.155312 20H 1px -0.021100 -0.020640 0.013389 0.025889 0.017766 -0.099503 20H 1py -0.160924 -0.060970 0.103882 0.028287 -0.057603 0.295224 21H 1s -0.184476 -0.111991 0.145278 0.019368 -0.052368 0.278477 21H 2s -0.136276 -0.124720 0.070210 -0.111801 -0.082150 0.319989 21H 3s 0.223896 0.173301 -0.117935 -0.037929 0.145735 -0.655622 21H 1pz 0.130249 0.092803 -0.066248 -0.003219 0.031929 -0.131047 21H 1px 0.079236 0.052425 -0.057115 0.037881 0.052038 -0.239120 21H 1py 0.052082 0.028690 -0.054945 -0.030671 -0.011603 0.052621 22H 1s -0.509939 -0.281821 0.281946 0.202409 -0.055189 0.231182 22H 2s -1.288831 -0.710196 0.936226 0.608897 -0.090357 0.261923 22H 3s 0.494202 0.273783 -0.370184 -0.225146 0.132860 -0.628229 22H 1pz 0.419693 0.231967 -0.299668 -0.192889 0.046369 -0.171576 22H 1px -0.369545 -0.190294 0.249413 0.171502 -0.028109 0.103280 22H 1py -0.234028 -0.120796 0.172770 0.115252 -0.044162 0.174072 23H 1s -0.169206 0.164388 0.107476 -0.111983 0.300080 0.058056 23H 2s -0.201842 0.096349 0.143796 0.016003 0.379405 0.107709 23H 3s 0.248028 -0.237508 -0.083713 0.141932 -0.690999 -0.145425 23H 1pz -0.047302 0.044511 0.037569 -0.054271 -0.021357 -0.008326 23H 1px 0.028253 0.027177 -0.026763 -0.029151 -0.145489 -0.033754 23H 1py 0.157299 -0.151264 -0.093473 0.067620 -0.260684 -0.063781 24H 1s -0.157446 0.132963 0.095024 -0.102077 0.339906 0.063900 24H 2s -0.172465 0.062390 0.161929 -0.030058 0.509288 0.096339 24H 3s 0.240217 -0.270793 -0.101742 0.179390 -0.740375 -0.134141 24H 1pz 0.110528 -0.123138 -0.072123 0.066907 -0.247744 -0.046921 24H 1px 0.080098 -0.042716 -0.063715 0.023099 -0.227031 -0.043227 24H 1py -0.097033 0.104426 0.065652 -0.089380 0.078230 0.013088 25H 1s -0.379013 0.508095 0.129205 -0.384724 0.234952 0.034991 25H 2s -0.937653 1.340059 0.490733 -1.165637 0.264617 0.039402 25H 3s 0.412295 -0.510376 -0.190382 0.444227 -0.634896 -0.102521 25H 1pz 0.263069 -0.349769 -0.127309 0.311238 -0.209885 -0.037428 25H 1px -0.370543 0.476568 0.167294 -0.417412 0.145798 0.018089 25H 1py 0.099524 -0.144867 -0.054339 0.124024 -0.090486 -0.018728 26O 1s 0.010339 -0.017038 0.013875 -0.016895 0.001166 0.001367 26O 2s 0.044967 -0.075306 0.058733 -0.078492 0.005704 0.004923 26O 3s -0.595570 1.035515 -0.763302 1.135507 -0.140136 -0.064462 26O 4s 1.866670 -3.179923 2.340745 -3.682899 0.359173 0.148534 26O 5s 0.853553 -2.362007 1.600429 -3.030824 0.751769 0.004523 26O 1pz 0.027291 -0.085790 -0.001463 -0.063854 0.022733 0.007485 26O 1px 0.141455 -0.320898 0.184852 -0.356665 -0.003660 -0.002621 26O 1py 0.080990 -0.176508 0.069825 -0.178168 0.023040 -0.011457 26O 2pz -0.196859 0.481183 -0.092719 0.413396 -0.073730 -0.013425 26O 2px -1.008583 2.081835 -1.340601 2.465897 -0.289471 -0.047208 26O 2py -0.532371 1.094175 -0.563027 1.198257 -0.188674 0.013115 26O 3pz 0.010473 -0.153210 -0.021755 -0.488252 0.165210 -0.000968 26O 3px -0.425642 0.908038 -0.817119 1.103477 -0.347242 -0.047045 26O 3py -0.203684 0.225016 -0.328013 0.115900 0.025303 -0.110421 26O 1dz2 0.008811 -0.018441 0.008339 -0.016546 0.022256 0.009100 26O 1dxz -0.005469 0.017660 0.000384 0.014467 -0.006833 -0.002980 26O 1dyz -0.023500 0.005074 -0.013500 0.019227 0.026429 0.002589 26O 1dx2y2 -0.010217 0.021721 -0.016752 0.027058 -0.002663 -0.000988 26O 1dxy -0.016251 0.036342 -0.018395 0.039382 -0.004864 0.003037 26O 2dz2 -0.163006 0.346981 -0.222724 0.380784 -0.033002 -0.003366 26O 2dxz 0.107256 -0.193967 0.074096 -0.194383 0.023648 0.001241 26O 2dyz 0.046342 -0.116629 0.036549 -0.130983 0.067663 0.008190 26O 2dx2y2 0.161805 -0.388721 0.262683 -0.446575 0.066997 0.015023 26O 2dxy 0.267089 -0.517293 0.298101 -0.576127 0.103582 0.020300 26O 1f0 -0.011345 0.026774 -0.001566 0.016200 0.028942 -0.004154 26O 1f+1 -0.009131 0.031107 -0.024933 0.043660 -0.029920 -0.002748 26O 1f-1 -0.022123 0.043527 -0.010865 0.011350 -0.006448 -0.004696 26O 1f+2 -0.017006 0.003161 -0.018289 0.007353 0.015094 -0.001518 26O 1f-2 0.028803 -0.061937 0.020884 -0.037150 -0.075205 -0.022027 26O 1f+3 -0.009042 0.015576 -0.021772 0.018595 0.000259 -0.002989 26O 1f-3 -0.044808 0.089647 -0.048920 0.079017 0.041309 0.005593 27O 1s 0.017025 0.009134 0.021033 0.007713 0.000131 0.001158 27O 2s 0.073880 0.040847 0.093022 0.038160 -0.000460 0.005207 27O 3s -0.989727 -0.571751 -1.276470 -0.585090 0.034270 -0.127146 27O 4s 3.018703 1.751366 4.013201 1.942166 -0.111478 0.303178 27O 5s 1.857997 1.578269 3.156773 1.754471 -0.234463 0.684327 27O 1pz 0.020383 0.019167 -0.018119 0.009386 0.001423 0.026484 27O 1px 0.309662 0.219064 0.381066 0.230506 -0.014457 -0.002389 27O 1py -0.105703 -0.076485 -0.075767 -0.068272 0.021284 -0.019207 27O 2pz -0.078406 -0.064183 0.101695 -0.014988 -0.005798 -0.051794 27O 2px -2.027988 -1.364046 -2.711688 -1.537924 0.146873 -0.281667 27O 2py 0.642146 0.445346 0.603090 0.431184 -0.081616 0.090338 27O 3pz 0.148853 0.134910 0.328032 0.311219 -0.000313 0.177999 27O 3px -0.848453 -0.550421 -1.374519 -0.508534 0.071380 -0.304134 27O 3py 0.114657 -0.105987 -0.075389 -0.315064 0.106563 -0.065335 27O 1dz2 0.028280 0.004202 0.031519 0.014910 0.004976 -0.003058 27O 1dxz -0.005129 -0.002254 0.003902 -0.001457 -0.001308 -0.003876 27O 1dyz 0.001744 -0.002690 0.014323 0.007151 0.006530 -0.028423 27O 1dx2y2 -0.023700 -0.024831 -0.033988 -0.023086 0.008570 -0.019916 27O 1dxy 0.021124 0.015726 0.023459 0.018050 -0.003546 -0.003884 27O 2dz2 -0.339933 -0.238656 -0.440967 -0.252808 0.035186 -0.074452 27O 2dxz 0.022404 0.014936 -0.034538 0.004969 -0.004313 0.007916 27O 2dyz -0.014143 -0.017085 -0.019042 -0.028098 0.014373 -0.051870 27O 2dx2y2 0.503825 0.336166 0.667750 0.352714 -0.031724 0.073514 27O 2dxy -0.337712 -0.201528 -0.352660 -0.224095 0.026973 -0.062265 27O 1f0 0.009145 0.000651 0.006011 -0.011917 -0.001723 0.001244 27O 1f+1 -0.060640 -0.038297 -0.062916 -0.031746 -0.003019 0.037855 27O 1f-1 0.036708 0.019998 0.016098 0.010024 0.016938 -0.029258 27O 1f+2 0.014313 0.011224 -0.022074 -0.010278 -0.004236 0.005481 27O 1f-2 -0.046222 -0.025522 -0.030600 -0.008341 -0.014982 0.064814 27O 1f+3 -0.049139 -0.036006 -0.066140 -0.030405 0.005354 -0.033250 27O 1f-3 0.059926 0.041465 0.037901 0.025456 0.004460 -0.046107 28O 1s 0.002793 -0.009910 -0.006531 0.003707 -0.002999 -0.000244 28O 2s 0.006251 -0.037021 -0.029859 0.025168 -0.015687 -0.000794 28O 3s 0.014180 0.415889 0.435751 -0.488133 0.218566 -0.005379 28O 4s -0.201772 -1.091733 -1.380304 1.682986 -0.945048 -0.014657 28O 5s -0.327512 -1.208090 -1.349414 2.009845 -0.420843 0.095503 28O 1pz -0.009981 -0.137532 -0.029990 0.104764 -0.044063 0.017190 28O 1px 0.014469 0.126347 0.082137 -0.136470 0.094457 0.008805 28O 1py -0.004677 -0.034468 0.014053 0.015053 0.017982 0.000102 28O 2pz 0.182703 0.648259 0.473215 -0.907386 0.356404 -0.070193 28O 2px -0.231980 -0.620371 -0.748949 1.138581 -0.513103 0.005537 28O 2py 0.028807 0.155685 0.001018 -0.127567 -0.008556 -0.005024 28O 3pz 0.018985 0.107386 0.399277 0.029328 -0.044271 -0.000284 28O 3px -0.150733 -0.347872 -0.594024 0.725978 -0.167432 0.074751 28O 3py 0.011669 -0.043735 0.006583 0.301757 -0.039402 -0.061076 28O 1dz2 0.008767 -0.021056 0.005534 -0.013900 0.016793 0.004428 28O 1dxz -0.027075 0.006426 -0.019436 0.042673 -0.006519 0.006410 28O 1dyz 0.009417 -0.023850 0.005552 -0.012118 0.028683 0.007436 28O 1dx2y2 0.000437 -0.002768 0.015761 -0.019705 0.004128 0.004432 28O 1dxy -0.001473 -0.001857 -0.000696 0.006408 0.010528 0.000678 28O 2dz2 -0.013807 -0.019988 -0.021903 0.095582 0.006073 0.011854 28O 2dxz 0.093415 0.210499 0.252747 -0.396472 0.137984 -0.018297 28O 2dyz -0.015076 -0.043742 -0.029553 0.114155 0.024142 0.015319 28O 2dx2y2 -0.065944 -0.141670 -0.162657 0.220726 -0.088061 0.014642 28O 2dxy 0.023420 0.023390 0.020450 -0.055342 0.019998 -0.003584 28O 1f0 -0.002106 0.013172 0.019097 -0.024106 -0.024360 -0.009634 28O 1f+1 0.015392 0.005874 -0.000381 -0.014478 0.044958 0.001180 28O 1f-1 0.001267 -0.011833 0.005474 0.004871 -0.084962 -0.022545 28O 1f+2 -0.002675 -0.023140 -0.022950 0.022672 -0.016161 -0.007248 28O 1f-2 -0.011899 0.028950 -0.020154 0.040653 0.037031 0.005959 28O 1f+3 0.000392 -0.018993 -0.017966 0.014555 -0.024672 0.002686 28O 1f-3 0.019940 -0.017191 0.005235 -0.036368 -0.023633 -0.006568 29O 1s -0.002081 0.000640 0.000118 0.000139 -0.000387 -0.000038 29O 2s -0.006798 0.002189 0.000859 0.000558 -0.001156 -0.000143 29O 3s 0.056079 -0.020725 -0.024568 -0.006575 0.007404 0.001272 29O 4s -0.077144 0.041106 0.164950 -0.004635 -0.006039 0.011580 29O 5s -0.069986 -0.006152 -0.517542 0.131347 -0.004394 -0.083623 29O 1pz 0.007118 -0.009793 -0.006310 -0.020983 0.010897 0.008506 29O 1px -0.034622 0.005478 -0.037670 0.004132 0.003725 -0.005863 29O 1py -0.000097 0.002557 -0.004692 0.009418 0.003998 -0.007054 29O 2pz -0.030156 -0.009092 0.023530 0.033531 -0.038740 -0.037049 29O 2px 0.080723 -0.024634 0.109194 -0.011511 -0.008799 0.005611 29O 2py 0.001828 -0.009356 -0.002378 -0.029057 -0.010778 0.019728 29O 3pz -0.059503 -0.075430 -0.102686 -0.082610 0.002747 -0.014428 29O 3px -0.054437 -0.016411 0.123786 -0.054553 0.021395 0.005566 29O 3py 0.020485 0.023982 -0.013169 0.014015 0.002516 -0.001330 29O 1dz2 -0.004203 -0.001864 -0.001759 -0.004675 -0.002832 -0.003613 29O 1dxz 0.007721 -0.002294 -0.000750 0.000324 0.006934 0.004638 29O 1dyz 0.005582 -0.003563 -0.003295 -0.009160 0.003199 0.004996 29O 1dx2y2 0.000889 0.000532 0.003145 -0.001906 0.001938 0.004155 29O 1dxy -0.001506 -0.008256 0.002942 -0.005192 0.008048 -0.005935 29O 2dz2 0.006757 0.005846 0.005722 -0.005235 0.008656 0.005304 29O 2dxz 0.004821 -0.002538 0.022426 0.007748 0.000171 -0.003419 29O 2dyz 0.015973 0.012465 -0.013193 -0.004601 0.015144 0.018242 29O 2dx2y2 -0.007140 0.001921 -0.014087 0.003899 -0.003378 -0.000408 29O 2dxy -0.000528 0.002995 -0.013567 -0.002625 0.007096 0.003840 29O 1f0 0.002305 0.007150 -0.001280 0.006998 -0.007319 0.002922 29O 1f+1 -0.002253 0.008975 -0.000097 0.005842 0.000277 -0.002998 29O 1f-1 -0.001427 -0.004679 -0.002489 -0.005631 0.011644 -0.003911 29O 1f+2 0.010250 -0.007406 0.005998 -0.000324 0.011486 -0.003432 29O 1f-2 0.002466 0.007966 0.004038 0.007182 -0.009262 0.004862 29O 1f+3 0.006595 0.002783 -0.002892 0.001347 0.001645 0.001132 29O 1f-3 0.003493 0.009164 -0.001324 -0.001126 -0.019372 0.018400 30O 1s 0.010767 0.006751 -0.008420 -0.001128 -0.000774 -0.002716 30O 2s 0.040040 0.026731 -0.042241 -0.011651 -0.001828 -0.014090 30O 3s -0.439974 -0.327070 0.665197 0.265730 0.010950 0.188954 30O 4s 1.156254 0.900980 -2.167183 -0.951590 0.044442 -0.838735 30O 5s 0.926856 1.098473 -2.184771 -1.343409 0.092900 -0.311989 30O 1pz 0.090941 0.080468 -0.075561 -0.072032 0.018716 -0.025087 30O 1px -0.104503 -0.095215 0.144184 0.081125 -0.016094 0.089974 30O 1py -0.100334 -0.098468 0.067783 0.077361 -0.001545 0.027749 30O 2pz -0.433864 -0.420398 0.728672 0.503548 -0.070985 0.209985 30O 2px 0.516721 0.502946 -1.187599 -0.641858 0.063290 -0.436269 30O 2py 0.481277 0.484577 -0.727271 -0.534837 0.031936 -0.242609 30O 3pz -0.208661 -0.061866 0.303794 -0.047988 0.123408 0.049471 30O 3px 0.268882 0.343671 -0.899796 -0.505736 0.019917 -0.108284 30O 3py 0.156816 0.082046 -0.193440 0.184578 -0.057040 0.057373 30O 1dz2 -0.010320 -0.002230 -0.010706 -0.005555 0.003727 -0.014829 30O 1dxz -0.005910 0.011178 -0.024093 -0.015977 0.005351 0.002179 30O 1dyz -0.020206 -0.018130 -0.029633 -0.014473 0.004579 -0.030705 30O 1dx2y2 -0.016213 -0.003368 0.004816 -0.003231 0.003105 -0.008418 30O 1dxy 0.000624 -0.002799 0.026477 0.018713 0.004582 -0.007540 30O 2dz2 -0.034648 -0.046656 0.087448 0.044910 0.000559 0.017851 30O 2dxz -0.152331 -0.132482 0.300879 0.169310 -0.004701 0.082944 30O 2dyz -0.107826 -0.116996 0.258891 0.187664 -0.005309 0.015802 30O 2dx2y2 0.060540 0.060297 -0.090145 -0.019364 0.002928 -0.048753 30O 2dxy 0.130478 0.146910 -0.309637 -0.176029 0.014490 -0.105211 30O 1f0 -0.017378 -0.015446 0.027765 0.015625 -0.011679 0.072973 30O 1f+1 0.013121 0.003320 0.013360 0.016723 -0.002668 -0.019519 30O 1f-1 -0.032806 -0.012937 -0.023978 -0.014126 0.001290 0.027881 30O 1f+2 0.011165 0.005396 -0.018591 -0.000578 -0.020005 0.055698 30O 1f-2 0.034579 0.030683 -0.000202 0.006149 0.010299 -0.049484 30O 1f+3 0.016094 0.006095 -0.005879 0.008015 0.004345 0.003121 30O 1f-3 0.000330 0.006928 -0.053209 -0.029719 -0.004363 0.025389 31O 1s 0.011317 0.006716 0.008244 0.001071 0.000745 0.002742 31O 2s 0.042394 0.026733 0.041640 0.011477 0.001691 0.014226 31O 3s -0.471515 -0.329526 -0.659784 -0.264613 -0.008779 -0.191453 31O 4s 1.253466 0.912073 2.154429 0.950471 -0.051802 0.848066 31O 5s 1.004383 1.119416 2.175080 1.330480 -0.097345 0.320834 31O 1pz -0.094852 -0.081972 -0.074400 -0.071447 0.018901 -0.025497 31O 1px 0.111044 0.096419 0.143031 0.080446 -0.016462 0.090409 31O 1py 0.104294 0.100236 0.066530 0.076667 -0.002056 0.028050 31O 2pz 0.464302 0.428933 0.724725 0.501854 -0.073406 0.213598 31O 2px -0.564328 -0.512457 -1.183766 -0.640645 0.066825 -0.441074 31O 2py -0.512331 -0.494066 -0.722378 -0.532691 0.035169 -0.245695 31O 3pz 0.225583 0.059263 0.301961 -0.043753 0.121048 0.050808 31O 3px -0.302150 -0.350925 -0.896553 -0.503106 0.022507 -0.112039 31O 3py -0.172872 -0.074788 -0.192193 0.181469 -0.055198 0.055739 31O 1dz2 -0.009842 -0.002178 0.010833 0.005364 -0.003748 0.014746 31O 1dxz -0.005265 0.011244 0.024536 0.015902 -0.005409 -0.002056 31O 1dyz -0.019810 -0.017908 0.030171 0.014878 -0.004549 0.030874 31O 1dx2y2 -0.016656 -0.003296 -0.004469 0.003282 -0.003166 0.008459 31O 1dxy 0.000181 -0.003072 -0.026773 -0.019058 -0.004449 0.007439 31O 2dz2 -0.038201 -0.047388 -0.087278 -0.044881 -0.000459 -0.018128 31O 2dxz -0.164580 -0.135039 -0.299808 -0.169608 0.005894 -0.084376 31O 2dyz -0.116681 -0.120008 -0.258173 -0.187325 0.006186 -0.016676 31O 2dx2y2 0.065682 0.060261 0.089834 0.019455 -0.003541 0.049493 31O 2dxy 0.143087 0.149398 0.308785 0.175741 -0.015555 0.106412 31O 1f0 0.018421 0.015661 0.027697 0.015597 -0.011790 0.073141 31O 1f+1 -0.013228 -0.003012 0.013793 0.016817 -0.002840 -0.019397 31O 1f-1 0.031985 0.012417 -0.024360 -0.014057 0.001424 0.028162 31O 1f+2 -0.012352 -0.005433 -0.018223 -0.000441 -0.019986 0.055698 31O 1f-2 -0.035087 -0.030205 0.000266 0.006298 0.010524 -0.049446 31O 1f+3 -0.016789 -0.005785 -0.005582 0.008202 0.004446 0.002910 31O 1f-3 -0.001886 -0.007388 -0.053349 -0.029778 -0.004333 0.025364 32O 1s -0.002154 0.000597 -0.000061 -0.000078 0.000376 0.000028 32O 2s -0.007067 0.002055 -0.000669 -0.000362 0.001123 0.000116 32O 3s 0.059214 -0.019905 0.022917 0.005148 -0.007166 -0.001090 32O 4s -0.088162 0.040755 -0.162045 0.007880 0.005489 -0.012022 32O 5s -0.045665 -0.005456 0.516484 -0.143613 0.006273 0.084959 32O 1pz -0.006792 0.009000 -0.006239 -0.020924 0.010991 0.008472 32O 1px 0.033765 -0.005596 -0.038089 0.004714 0.003616 -0.005899 32O 1py -0.000174 -0.001913 -0.004944 0.008897 0.004127 -0.007017 32O 2pz 0.029204 0.010713 0.023644 0.032647 -0.039424 -0.036583 32O 2px -0.078337 0.023814 0.110411 -0.012206 -0.008787 0.005896 32O 2py -0.001388 0.009252 -0.001491 -0.029029 -0.011243 0.019215 32O 3pz 0.056591 0.072838 -0.102065 -0.082536 0.002089 -0.013788 32O 3px 0.061674 0.012615 0.123214 -0.054067 0.021183 0.005878 32O 3py -0.019842 -0.017872 -0.014034 0.007784 0.003053 -0.001819 32O 1dz2 -0.004549 -0.002021 0.002051 0.005051 0.002956 0.003799 32O 1dxz 0.007607 -0.002407 0.000677 -0.000125 -0.006971 -0.004496 32O 1dyz 0.005708 -0.003455 0.003145 0.009278 -0.003350 -0.004972 32O 1dx2y2 0.000601 0.000487 -0.003098 0.002176 -0.001889 -0.004046 32O 1dxy -0.001694 -0.008089 -0.002867 0.005400 -0.008109 0.005928 32O 2dz2 0.005500 0.005586 -0.006201 0.005057 -0.008173 -0.004320 32O 2dxz 0.003887 -0.002775 -0.022757 -0.007746 0.000325 0.003726 32O 2dyz 0.016119 0.012735 0.012943 0.004245 -0.016006 -0.018002 32O 2dx2y2 -0.006987 0.001094 0.013935 -0.003478 0.003780 0.000842 32O 2dxy -0.000382 0.002762 0.013278 0.002514 -0.007131 -0.003515 32O 1f0 -0.002423 -0.007563 -0.001384 0.008095 -0.008039 0.003252 32O 1f+1 0.002512 -0.008196 -0.000751 0.005110 0.000633 -0.003383 32O 1f-1 0.000943 0.004551 -0.002219 -0.005716 0.011553 -0.004144 32O 1f+2 -0.010385 0.007435 0.006220 -0.000647 0.010555 -0.003155 32O 1f-2 -0.002541 -0.007882 0.004259 0.007633 -0.009106 0.004794 32O 1f+3 -0.007137 -0.003017 -0.002359 0.002543 0.001661 0.000824 32O 1f-3 -0.003726 -0.009911 -0.001325 -0.000074 -0.019372 0.019027 33O 1s 0.003278 -0.010267 0.006433 -0.003523 0.003015 0.000250 33O 2s 0.008348 -0.038722 0.029594 -0.024572 0.015790 0.000810 33O 3s -0.014474 0.441560 -0.434920 0.483438 -0.220940 0.005030 33O 4s -0.113005 -1.174775 1.382133 -1.673914 0.954479 0.015535 33O 5s -0.249597 -1.286772 1.354435 -1.992323 0.423061 -0.102500 33O 1pz 0.005698 0.142619 -0.029552 0.102776 -0.044328 0.017346 33O 1px -0.008206 -0.132996 0.082164 -0.134693 0.094786 0.008496 33O 1py 0.004522 0.035623 0.013983 0.014594 0.017476 -0.000039 33O 2pz -0.146816 -0.687166 0.474384 -0.900905 0.359913 -0.070821 33O 2px 0.184339 0.670136 -0.753382 1.135185 -0.518459 0.006168 33O 2py -0.025966 -0.162707 0.002022 -0.126713 -0.006087 -0.004886 33O 3pz 0.000378 -0.115856 0.398582 0.026287 -0.040864 0.000860 33O 3px 0.116970 0.378207 -0.596017 0.723115 -0.169095 0.076129 33O 3py -0.011827 0.050660 0.007280 0.298619 -0.040604 -0.059860 33O 1dz2 0.008769 -0.020660 -0.005735 0.014349 -0.016676 -0.004354 33O 1dxz -0.026181 0.005377 0.020162 -0.043350 0.006826 -0.006246 33O 1dyz 0.009440 -0.023835 -0.006001 0.012746 -0.028833 -0.007517 33O 1dx2y2 -0.000219 -0.002079 -0.015808 0.019905 -0.004112 -0.004363 33O 1dxy -0.001721 -0.001664 0.000824 -0.006769 -0.010293 -0.000637 33O 2dz2 -0.012002 -0.022499 0.021592 -0.094681 -0.006347 -0.011918 33O 2dxz 0.077319 0.227198 -0.254098 0.395956 -0.139749 0.018464 33O 2dyz -0.013489 -0.047310 0.030209 -0.114343 -0.023630 -0.015399 33O 2dx2y2 -0.055481 -0.151799 0.163987 -0.220616 0.089574 -0.014510 33O 2dxy 0.022315 0.025820 -0.021483 0.056048 -0.020727 0.003582 33O 1f0 0.002700 -0.013551 0.019222 -0.024296 -0.023374 -0.009229 33O 1f+1 -0.015404 -0.006156 -0.000174 -0.014681 0.044630 0.001026 33O 1f-1 -0.000876 0.011541 0.005331 0.004890 -0.085296 -0.022413 33O 1f+2 0.001062 0.024522 -0.022749 0.022126 -0.015834 -0.006997 33O 1f-2 0.010699 -0.027430 -0.020319 0.040802 0.037593 0.005863 33O 1f+3 -0.001462 0.019850 -0.018004 0.014464 -0.024525 0.002745 33O 1f-3 -0.020004 0.016582 0.005825 -0.037126 -0.023296 -0.006471 34O 1s 0.016614 0.009007 -0.021315 -0.007816 -0.000129 -0.001175 34O 2s 0.072099 0.040181 -0.094248 -0.038630 0.000465 -0.005291 34O 3s -0.966083 -0.561072 1.292782 0.591616 -0.034203 0.128377 34O 4s 2.946396 1.715522 -4.064276 -1.963005 0.111611 -0.308519 34O 5s 1.787931 1.545167 -3.187156 -1.774559 0.231781 -0.682354 34O 1pz -0.021430 -0.018609 -0.018035 0.009705 0.001269 0.026286 34O 1px -0.302783 -0.214008 0.386148 0.233152 -0.014289 -0.002096 34O 1py 0.105448 0.074976 -0.077601 -0.069307 0.021030 -0.019235 34O 2pz 0.083493 0.062474 0.101248 -0.015873 -0.005660 -0.050912 34O 2px 1.978538 1.332780 -2.744892 -1.553630 0.145762 -0.284365 34O 2py -0.636885 -0.436793 0.614795 0.437225 -0.080725 0.090883 34O 3pz -0.143563 -0.127390 0.331623 0.314348 -0.000255 0.178396 34O 3px 0.814733 0.544099 -1.386730 -0.512627 0.070688 -0.304615 34O 3py -0.113960 0.098105 -0.074954 -0.320974 0.107097 -0.066042 34O 1dz2 0.027908 0.003881 -0.032133 -0.014817 -0.005162 0.002904 34O 1dxz -0.005514 -0.002237 -0.003816 0.001570 0.001255 0.003841 34O 1dyz 0.001292 -0.002848 -0.014511 -0.007304 -0.006333 0.028388 34O 1dx2y2 -0.023204 -0.024403 0.034337 0.023439 -0.008614 0.019887 34O 1dxy 0.021185 0.015453 -0.023850 -0.018326 0.003610 0.003740 34O 2dz2 -0.332072 -0.233651 0.446213 0.255486 -0.035131 0.074676 34O 2dxz 0.024134 0.014343 0.034460 -0.005245 0.004229 -0.007419 34O 2dyz -0.014024 -0.016383 0.019098 0.028361 -0.014226 0.051735 34O 2dx2y2 0.490589 0.328885 -0.675165 -0.355872 0.031231 -0.074061 34O 2dxy -0.333683 -0.197297 0.358732 0.226454 -0.026708 0.062362 34O 1f0 -0.009337 -0.001271 0.006397 -0.011606 -0.001883 0.001283 34O 1f+1 0.059792 0.037765 -0.064071 -0.032142 -0.003108 0.037682 34O 1f-1 -0.037146 -0.019822 0.016811 0.010191 0.017323 -0.029162 34O 1f+2 -0.015503 -0.011439 -0.021906 -0.010028 -0.004226 0.005153 34O 1f-2 0.046091 0.025360 -0.031676 -0.008975 -0.014760 0.064647 34O 1f+3 0.047590 0.035282 -0.066788 -0.030898 0.005278 -0.033130 34O 1f-3 -0.060300 -0.041093 0.039016 0.025900 0.004414 -0.046082 35O 1s 0.009928 -0.016599 -0.014136 0.017303 -0.001174 -0.001377 35O 2s 0.043213 -0.073275 -0.059883 0.080301 -0.005751 -0.004974 35O 3s -0.572951 1.006509 0.778858 -1.160174 0.140695 0.065040 35O 4s 1.797864 -3.087023 -2.390023 3.760715 -0.362345 -0.150650 35O 5s 0.797106 -2.275929 -1.628950 3.081946 -0.751293 -0.012883 35O 1pz -0.027998 0.084852 -0.000519 -0.065595 0.022741 0.007451 35O 1px -0.135415 0.311376 0.189138 -0.363743 -0.003421 -0.002136 35O 1py -0.078690 0.172317 0.072254 -0.182203 0.022833 -0.011431 35O 2pz 0.197457 -0.473697 -0.098819 0.423853 -0.074104 -0.013762 35O 2px 0.966556 -2.016880 -1.369555 2.512482 -0.290735 -0.049508 35O 2py 0.515970 -1.066011 -0.579213 1.224527 -0.188399 0.012448 35O 3pz -0.009371 0.140427 -0.020032 -0.493493 0.169068 0.000930 35O 3px 0.397112 -0.876651 -0.828724 1.123576 -0.345704 -0.049147 35O 3py 0.195465 -0.220585 -0.332725 0.119283 0.026245 -0.111062 35O 1dz2 0.008835 -0.018170 -0.008675 0.016932 -0.021958 -0.009012 35O 1dxz -0.005821 0.017671 -0.000245 -0.014894 0.006990 0.002947 35O 1dyz -0.023197 0.004577 0.014047 -0.019840 -0.026277 -0.002556 35O 1dx2y2 -0.009623 0.020991 0.017027 -0.027472 0.002825 0.000978 35O 1dxy -0.015825 0.035589 0.018858 -0.040393 0.004907 -0.003097 35O 2dz2 -0.155983 0.336791 0.227304 -0.388115 0.033025 0.003726 35O 2dxz 0.106364 -0.190090 -0.077014 0.199014 -0.023780 -0.001385 35O 2dyz 0.045637 -0.113991 -0.037917 0.133671 -0.067775 -0.008275 35O 2dx2y2 0.153295 -0.376133 -0.267141 0.454064 -0.066933 -0.015333 35O 2dxy 0.258431 -0.503061 -0.305832 0.588054 -0.103319 -0.020751 35O 1f0 0.011871 -0.026957 -0.001961 0.016995 0.028905 -0.004159 35O 1f+1 0.007878 -0.029540 -0.025113 0.043978 -0.029198 -0.002576 35O 1f-1 0.022394 -0.043607 -0.011443 0.012316 -0.006000 -0.004782 35O 1f+2 0.016054 -0.002483 -0.018573 0.007757 0.015352 -0.001486 35O 1f-2 -0.028922 0.061620 0.021806 -0.038756 -0.074945 -0.021689 35O 1f+3 0.008537 -0.015208 -0.022081 0.019187 -0.000541 -0.003139 35O 1f-3 0.043650 -0.087944 -0.050305 0.081256 0.041078 0.005315 612 613 614 615 616 617 4.83081 4.86191 5.12350 5.12672 5.15360 5.15393 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s -0.007353 0.000258 -0.000115 0.000819 -0.000065 -0.000071 0Rh 2s 0.061591 -0.002163 -0.000057 -0.005922 0.000378 0.000794 0Rh 3s -0.007412 0.000262 -0.000727 0.001409 -0.000166 0.000047 0Rh 4s -0.359748 0.012655 -0.000006 0.035597 -0.002316 -0.004672 0Rh 5s 0.881323 -0.031088 -0.002704 -0.088668 0.005531 0.012606 0Rh 6s -0.896114 0.031744 0.015806 0.089345 -0.004298 -0.017156 0Rh 7s 0.714073 -0.025567 -0.027591 -0.126923 0.001006 0.031583 0Rh 8s 0.102827 -0.004041 0.041322 -0.161810 0.008355 -0.025576 0Rh 1pz -0.003254 -0.000115 0.002983 -0.000935 -0.004558 0.015871 0Rh 1px 0.001858 0.000135 -0.012790 0.005185 -0.005774 0.013212 0Rh 1py 0.000748 -0.002641 -0.015053 0.012182 0.012685 -0.016801 0Rh 2pz 0.013408 0.000462 -0.012200 0.003870 0.018693 -0.064994 0Rh 2px -0.008492 -0.000502 0.052313 -0.021380 0.023660 -0.054089 0Rh 2py -0.003188 0.010648 0.061591 -0.049880 -0.051935 0.068775 0Rh 3pz -0.042936 -0.001157 0.036355 -0.012404 -0.056778 0.195306 0Rh 3px 0.045223 0.000430 -0.156040 0.066968 -0.071366 0.162193 0Rh 3py 0.012566 -0.028977 -0.184105 0.149711 0.156043 -0.206267 0Rh 4pz 0.061840 0.000403 -0.041516 0.016198 0.067720 -0.226120 0Rh 4px -0.125796 0.003306 0.177863 -0.083992 0.083279 -0.186846 0Rh 4py -0.026332 0.024443 0.209447 -0.171774 -0.181227 0.238171 0Rh 5pz -0.064421 0.003026 0.021579 -0.006171 -0.035778 0.105371 0Rh 5px 0.244701 -0.010561 -0.084112 0.035659 -0.039129 0.087432 0Rh 5py 0.043063 0.007295 -0.084731 0.073507 0.086685 -0.112784 0Rh 6pz 0.197070 -0.015746 -0.081329 -0.111943 0.056234 -0.128510 0Rh 6px -0.529173 0.017927 0.110183 0.363458 0.022532 -0.112807 0Rh 6py -0.068768 -0.008737 -0.046300 -0.071648 -0.108700 0.182269 0Rh 1dz2 0.008921 -0.006964 0.004471 -0.003552 -0.000328 0.000592 0Rh 1dxz 0.012246 0.002644 0.000609 0.000290 0.001049 -0.003963 0Rh 1dyz 0.001402 -0.023961 0.004254 -0.003531 0.003207 -0.003042 0Rh 1dx2y2 -0.019998 0.000010 0.000697 -0.002472 0.003196 -0.002506 0Rh 1dxy -0.007008 -0.008978 -0.013136 0.009911 -0.005008 0.006038 0Rh 2dz2 -0.000837 -0.003052 -0.000067 -0.000303 0.000055 0.000011 0Rh 2dxz -0.001204 0.000264 0.000509 -0.000958 0.000123 -0.000217 0Rh 2dyz -0.000521 -0.007392 -0.000020 -0.000174 -0.000695 0.000485 0Rh 2dx2y2 0.001526 -0.001209 -0.001202 0.001926 -0.000380 0.000034 0Rh 2dxy 0.000517 -0.003027 0.000746 -0.000534 0.000059 0.000179 0Rh 3dz2 -0.034646 0.045748 -0.020193 0.017877 0.001260 -0.002814 0Rh 3dxz -0.047407 -0.012982 -0.005103 0.003293 -0.005392 0.019244 0Rh 3dyz -0.003508 0.142170 -0.019471 0.017122 -0.011490 0.011712 0Rh 3dx2y2 0.079505 0.005963 0.002281 0.002158 -0.012903 0.011391 0Rh 3dxy 0.027982 0.054544 0.056886 -0.043098 0.022762 -0.028697 0Rh 4dz2 0.047390 -0.108411 0.037306 -0.037140 -0.002090 0.005989 0Rh 4dxz 0.065319 0.025262 0.011488 -0.013517 0.010569 -0.037191 0Rh 4dyz 0.000160 -0.317779 0.036786 -0.034198 0.017673 -0.019266 0Rh 4dx2y2 -0.114114 -0.022209 -0.009202 0.009180 0.021809 -0.021461 0Rh 4dxy -0.040329 -0.123554 -0.102993 0.078653 -0.041876 0.055522 0Rh 5dz2 0.035802 0.266499 -0.050000 0.077703 -0.000619 -0.012982 0Rh 5dxz 0.034832 -0.046462 -0.020654 0.060573 -0.013733 0.053093 0Rh 5dyz 0.034533 0.718269 -0.053377 0.062776 -0.012897 0.015486 0Rh 5dx2y2 -0.035094 0.085776 0.025863 -0.080334 -0.018248 0.028395 0Rh 5dxy -0.014002 0.280609 0.128912 -0.105804 0.047606 -0.081784 0Rh 1f0 0.014498 0.001410 0.000463 0.004315 0.002951 -0.005064 0Rh 1f+1 -0.009672 -0.001995 -0.001241 -0.004298 0.002416 -0.001503 0Rh 1f-1 -0.001803 0.002886 -0.002406 -0.000795 -0.000394 0.000955 0Rh 1f+2 -0.018689 0.002401 -0.005592 -0.005954 0.002527 -0.003356 0Rh 1f-2 -0.007695 -0.004972 0.000332 -0.003731 -0.001885 -0.001661 0Rh 1f+3 -0.020081 0.000022 -0.005710 -0.006186 0.001695 0.003645 0Rh 1f-3 -0.012456 0.005400 0.004213 -0.005040 -0.003581 -0.000555 1Rh 1s -0.007334 0.000261 -0.000060 -0.000829 0.000082 -0.000044 1Rh 2s 0.061419 -0.002180 -0.000456 0.005948 -0.000598 0.000619 1Rh 3s -0.007400 0.000266 -0.000630 -0.001452 0.000136 0.000103 1Rh 4s -0.358746 0.012758 0.002390 -0.035773 0.003600 -0.003610 1Rh 5s 0.878804 -0.031334 -0.008667 0.088973 -0.009044 0.009993 1Rh 6s -0.893216 0.031972 0.021798 -0.089015 0.009311 -0.014735 1Rh 7s 0.706645 -0.026276 -0.036315 0.126639 -0.010288 0.029632 1Rh 8s 0.102896 -0.003622 0.029690 0.163823 0.000856 -0.029918 1Rh 1pz 0.003191 0.000061 -0.003130 -0.001296 -0.000396 -0.016478 1Rh 1px -0.001891 -0.000143 0.012338 0.005790 -0.001477 -0.014352 1Rh 1py -0.000768 0.002564 0.014327 0.013194 0.006453 0.019591 1Rh 2pz -0.013153 -0.000238 0.012796 0.005347 0.001650 0.067489 1Rh 2px 0.008624 0.000535 -0.050450 -0.023853 0.006068 0.058762 1Rh 2py 0.003267 -0.010341 -0.058619 -0.054022 -0.026424 -0.080199 1Rh 3pz 0.042164 0.000459 -0.038066 -0.016834 -0.005548 -0.202998 1Rh 3px -0.045594 -0.000555 0.150256 0.074348 -0.018588 -0.176342 1Rh 3py -0.012713 0.028172 0.175180 0.162097 0.079532 0.240595 1Rh 4pz -0.060849 0.000576 0.043285 0.021302 0.008357 0.235664 1Rh 4px 0.126193 -0.003053 -0.170725 -0.092445 0.022406 0.203481 1Rh 4py 0.026180 -0.023886 -0.199203 -0.185876 -0.092876 -0.278080 1Rh 5pz 0.063518 -0.004090 -0.022366 -0.008617 -0.008067 -0.111230 1Rh 5px -0.244954 0.010144 0.081025 0.039882 -0.010592 -0.095169 1Rh 5py -0.042210 -0.006780 0.080404 0.079241 0.044896 0.131908 1Rh 6pz -0.191992 0.020171 0.094753 -0.102784 0.022058 0.140491 1Rh 6px 0.527700 -0.016993 -0.133460 0.357845 -0.012343 0.111001 1Rh 6py 0.064337 0.005693 0.048161 -0.070712 -0.042787 -0.203285 1Rh 1dz2 0.009017 -0.006859 0.004150 0.003696 0.000249 0.000660 1Rh 1dxz 0.012217 0.002569 0.000818 -0.000027 -0.000022 -0.004136 1Rh 1dyz 0.001399 -0.023977 0.004235 0.004066 -0.002130 -0.003998 1Rh 1dx2y2 -0.020119 -0.000048 0.000681 0.002701 -0.002261 -0.003388 1Rh 1dxy -0.006923 -0.008890 -0.012394 -0.010593 0.002739 0.007259 1Rh 2dz2 -0.000828 -0.003047 -0.000068 0.000306 -0.000048 0.000002 1Rh 2dxz -0.001202 0.000262 0.000421 0.000965 -0.000044 -0.000240 1Rh 2dyz -0.000521 -0.007386 -0.000026 0.000153 0.000523 0.000673 1Rh 2dx2y2 0.001514 -0.001206 -0.001080 -0.002007 0.000335 0.000171 1Rh 2dxy 0.000511 -0.003027 0.000715 0.000572 -0.000112 0.000153 1Rh 3dz2 -0.035108 0.045258 -0.018708 -0.018547 -0.000915 -0.003082 1Rh 3dxz -0.047285 -0.012642 -0.005638 -0.004535 0.000300 0.020145 1Rh 3dyz -0.003498 0.142206 -0.019364 -0.019486 0.007339 0.015236 1Rh 3dx2y2 0.080085 0.006202 0.001765 -0.002838 0.008803 0.014800 1Rh 3dxy 0.027635 0.054156 0.053612 0.046053 -0.012045 -0.034189 1Rh 4dz2 0.048251 -0.107506 0.034418 0.038419 0.001282 0.006380 1Rh 4dxz 0.065131 0.024672 0.011864 0.015860 -0.000653 -0.038969 1Rh 4dyz 0.000170 -0.317724 0.036595 0.038637 -0.010840 -0.024873 1Rh 4dx2y2 -0.115183 -0.022571 -0.007350 -0.008216 -0.014267 -0.027011 1Rh 4dxy -0.039810 -0.122885 -0.096926 -0.083977 0.021277 0.065490 1Rh 5dz2 0.034288 0.264804 -0.044859 -0.079772 0.002941 -0.012077 1Rh 5dxz 0.034578 -0.046009 -0.017905 -0.063741 -0.000600 0.055342 1Rh 5dyz 0.033826 0.716314 -0.053226 -0.069622 0.007293 0.020543 1Rh 5dx2y2 -0.033393 0.085587 0.018526 0.079684 0.008979 0.032157 1Rh 5dxy -0.013896 0.279540 0.120249 0.112113 -0.018050 -0.092232 1Rh 1f0 -0.014522 -0.001407 -0.000769 0.004401 0.001311 0.005694 1Rh 1f+1 0.009649 0.002038 0.001515 -0.004116 0.001894 0.002153 1Rh 1f-1 0.001830 -0.002848 0.002553 -0.000597 -0.000308 -0.001082 1Rh 1f+2 0.018540 -0.002518 0.005966 -0.005626 0.001496 0.004041 1Rh 1f-2 0.007552 0.004819 -0.000210 -0.003867 -0.002361 0.001079 1Rh 1f+3 0.020167 0.000089 0.006216 -0.005790 0.002671 -0.002925 1Rh 1f-3 0.012300 -0.005428 -0.003826 -0.005258 -0.003572 -0.000476 2C 1s -0.017268 -0.013196 0.000311 0.000719 -0.000147 -0.000057 2C 2s -0.004156 0.001919 0.000868 -0.000190 -0.000160 -0.000337 2C 3s -1.751194 -1.750571 -0.036396 0.121285 0.000947 0.016409 2C 4s 9.047178 8.863169 0.111884 -0.599922 0.029493 -0.073470 2C 5s -2.945171 -0.242722 0.017514 0.341108 -0.049780 -0.026589 2C 1pz -0.190395 -0.213946 -0.010030 0.014278 0.009043 -0.003443 2C 1px -0.026963 -0.031907 -0.005496 0.009260 0.002204 0.000513 2C 1py -0.129295 -0.144672 -0.003609 0.008879 -0.009109 0.010776 2C 2pz 4.408315 4.406415 0.077117 -0.276224 -0.081616 0.057558 2C 2px 0.748118 0.732913 0.052577 -0.104070 -0.004019 -0.023998 2C 2py 2.979614 2.987072 -0.014284 -0.172735 0.190058 -0.191714 2C 3pz -0.170867 0.432232 0.004353 0.055869 0.007702 -0.033968 2C 3px 0.035496 0.203371 0.016988 -0.008632 -0.004866 0.005198 2C 3py -0.136316 0.247568 0.018270 0.011379 -0.033345 0.029278 2C 1dz2 0.194127 0.187918 0.001809 -0.018968 0.005462 -0.006349 2C 1dxz 0.097240 0.098080 -0.008966 0.003824 0.001376 -0.000350 2C 1dyz 0.299377 0.290046 0.001409 -0.012301 0.002549 -0.003148 2C 1dx2y2 -0.084039 -0.082098 -0.000532 0.001259 0.000307 -0.001426 2C 1dxy 0.066846 0.064448 -0.005039 0.004710 -0.002878 0.004336 2C 2dz2 0.978321 0.968689 0.006441 -0.055464 -0.004458 -0.009136 2C 2dxz 0.505229 0.523025 -0.022928 -0.025919 0.041493 -0.039193 2C 2dyz 1.433133 1.402016 0.028349 -0.103733 0.035948 -0.042368 2C 2dx2y2 -0.486750 -0.482041 -0.000934 0.003576 0.039537 -0.048635 2C 2dxy 0.266080 0.266102 0.043737 -0.030123 -0.100264 0.090980 2C 1f0 0.147940 0.133749 0.000779 -0.020539 0.009233 -0.017776 2C 1f+1 0.122721 0.111629 0.002869 -0.013869 -0.020854 0.019681 2C 1f-1 0.542283 0.509762 0.008389 -0.028129 -0.006032 0.004652 2C 1f+2 -0.394465 -0.349904 -0.008134 0.022620 -0.009895 0.012260 2C 1f-2 0.367561 0.336024 -0.005518 -0.018519 0.001986 -0.005696 2C 1f+3 -0.108029 -0.083831 -0.010008 0.010402 0.017081 -0.019166 2C 1f-3 -0.014467 -0.018946 0.004417 -0.000194 0.002678 -0.004348 3C 1s -0.016214 0.014566 0.000184 -0.000482 0.000595 -0.000647 3C 2s -0.004365 -0.001531 0.000800 0.000777 0.000943 -0.000604 3C 3s -1.608111 1.884356 -0.044747 -0.137026 0.006226 -0.027893 3C 4s 8.333142 -9.560875 0.183798 0.677944 -0.120532 0.145469 3C 5s -2.884878 0.458495 0.027567 -0.432318 -0.019724 -0.010830 3C 1pz -0.110624 0.143240 -0.004619 -0.010296 -0.002976 -0.002703 3C 1px -0.060500 0.079565 0.000454 -0.003596 -0.008064 0.000738 3C 1py 0.169882 -0.225286 0.011604 0.018130 -0.001740 0.000389 3C 2pz 2.500535 -2.928854 0.033063 0.167903 -0.016492 0.072036 3C 2px 1.486262 -1.706145 -0.024140 0.122928 0.102006 0.015143 3C 2py -4.014293 4.698851 -0.137692 -0.360023 0.157537 0.002410 3C 3pz -0.175781 -0.134463 0.014894 -0.031195 -0.006572 0.000283 3C 3px -0.052981 -0.227902 0.007498 -0.047338 -0.015730 0.018809 3C 3py 0.174848 0.455668 -0.017965 0.048930 -0.001351 -0.005699 3C 1dz2 -0.061746 0.069054 -0.002252 0.000365 0.002207 -0.007136 3C 1dxz 0.086222 -0.101948 0.009791 0.013679 -0.008591 -0.001222 3C 1dyz -0.240291 0.271177 0.001861 -0.015752 0.003771 0.005503 3C 1dx2y2 -0.178070 0.201083 0.005987 -0.002349 -0.003175 -0.009296 3C 1dxy -0.162567 0.185090 -0.009219 -0.014922 0.010194 -0.002761 3C 2dz2 -0.242651 0.293342 -0.023816 -0.028760 0.037762 0.022429 3C 2dxz 0.464637 -0.549119 0.047197 0.034763 -0.094244 -0.037890 3C 2dyz -1.135222 1.288121 -0.040364 -0.138203 0.016175 0.009402 3C 2dx2y2 -0.928896 1.077268 -0.009449 -0.054823 0.003622 -0.044029 3C 2dxy -0.790582 0.920022 0.001547 -0.036772 -0.021461 -0.011234 3C 1f0 -0.192348 0.225501 0.001516 -0.003423 -0.006000 -0.007925 3C 1f+1 0.027456 -0.018828 -0.003604 0.012188 0.011616 -0.003021 3C 1f-1 0.070715 -0.073110 -0.003618 -0.010752 0.007666 0.023755 3C 1f+2 -0.519515 0.555272 -0.005072 -0.031782 0.002210 -0.016803 3C 1f-2 -0.394972 0.418150 -0.008581 -0.031615 -0.005715 -0.005692 3C 1f+3 0.254321 -0.278933 0.017642 0.022245 -0.016651 -0.006121 3C 1f-3 -0.087716 0.090849 0.009996 -0.006224 -0.013340 -0.011864 4C 1s 0.009526 0.006285 0.000317 -0.000846 -0.000416 0.000120 4C 2s -0.001100 -0.008189 -0.000048 -0.000380 -0.001016 0.000706 4C 3s 1.524881 1.826769 0.099653 -0.134467 0.002817 -0.044427 4C 4s -7.455739 -8.805940 -0.518788 0.666458 0.016798 0.210633 4C 5s 1.025155 0.755673 -0.118982 -0.128773 0.027973 0.038241 4C 1pz -0.256380 -0.207179 0.007256 0.016440 -0.011520 0.006190 4C 1px -0.049649 -0.040171 -0.003138 -0.002066 -0.001726 0.002189 4C 1py -0.167220 -0.138119 -0.000471 0.014620 0.009514 -0.008705 4C 2pz 4.705109 4.105035 -0.063879 -0.276225 0.075811 -0.015493 4C 2px 0.715068 0.680096 0.004919 0.056731 -0.019143 -0.035612 4C 2py 3.039407 2.681517 -0.031311 -0.155531 -0.006134 0.007058 4C 3pz -0.370948 1.975385 -0.022335 0.120276 -0.017596 -0.019281 4C 3px -0.014519 0.392787 -0.037748 0.065704 0.010164 -0.019970 4C 3py -0.220300 1.352319 -0.027461 0.102173 -0.010875 -0.024190 4C 1dz2 -0.143830 -0.119380 0.006219 -0.005006 -0.006846 0.007732 4C 1dxz -0.056001 -0.010744 0.000104 -0.000510 0.000715 -0.000954 4C 1dyz -0.256336 -0.263888 -0.004457 0.009566 0.010117 -0.004450 4C 1dx2y2 0.036614 -0.026096 -0.009448 0.006432 0.003233 0.000985 4C 1dxy -0.075199 -0.099267 -0.008692 0.007567 -0.011206 0.011282 4C 2dz2 -1.125827 -1.085054 0.004218 0.037052 -0.024186 0.023402 4C 2dxz -0.665651 -0.552284 0.068701 0.030065 -0.065334 0.000896 4C 2dyz -1.831471 -1.801241 -0.023481 0.136941 -0.016715 0.020252 4C 2dx2y2 0.524912 0.427366 -0.057050 -0.004295 -0.028171 0.036982 4C 2dxy -0.461565 -0.476406 -0.037344 0.065576 0.029923 -0.014229 4C 1f0 0.093712 0.104737 -0.006779 0.005959 0.017840 -0.020068 4C 1f+1 0.154649 0.184056 0.028911 -0.025681 -0.002844 -0.008103 4C 1f-1 0.528871 0.511543 -0.000424 -0.028882 0.005020 -0.002328 4C 1f+2 -0.264774 -0.290894 -0.010095 0.019419 0.021830 -0.004886 4C 1f-2 0.169076 0.161557 0.010128 -0.010343 0.011180 -0.013448 4C 1f+3 0.098440 0.082059 0.003541 -0.014305 0.002857 -0.001050 4C 1f-3 0.080489 0.101376 0.013970 -0.029435 -0.001688 -0.000595 5C 1s 0.009029 -0.007054 -0.000239 0.000684 0.000881 0.000295 5C 2s -0.000465 0.008234 -0.001124 -0.000068 0.002194 0.000507 5C 3s 1.379583 -1.944729 0.091694 0.148413 -0.032229 0.008802 5C 4s -6.761814 9.391144 -0.455767 -0.732376 0.068242 -0.045659 5C 5s 0.951624 -0.821223 -0.092448 0.218031 0.043297 0.039894 5C 1pz -0.137789 0.132237 -0.002351 -0.008807 0.006653 -0.007886 5C 1px -0.088847 0.084313 0.006214 -0.008278 0.005966 0.003767 5C 1py 0.239195 -0.226580 -0.000572 0.022122 -0.003815 0.001965 5C 2pz 2.549902 -2.630396 0.032938 0.178620 -0.086317 0.098734 5C 2px 1.528941 -1.520066 -0.045857 0.096872 0.017059 -0.168237 5C 2py -4.336863 4.451300 -0.034895 -0.324193 0.103267 -0.076167 5C 3pz -0.308700 -1.181440 0.005254 -0.109632 -0.002444 0.042980 5C 3px -0.144627 -0.740564 0.000911 -0.015210 0.005126 -0.032155 5C 3py 0.501611 1.940859 -0.009117 0.177865 0.004592 -0.071994 5C 1dz2 0.062918 -0.111797 0.002622 0.012251 0.008592 -0.005690 5C 1dxz -0.059300 0.027718 0.006778 0.005336 -0.015825 -0.009345 5C 1dyz 0.214636 -0.274943 0.005490 0.003711 0.005689 0.010964 5C 1dx2y2 0.116103 -0.069358 0.001485 -0.003171 0.002668 -0.006000 5C 1dxy 0.124730 -0.126432 -0.002306 0.005367 -0.000909 0.000682 5C 2dz2 0.365750 -0.475413 0.049449 0.064763 -0.029093 0.015817 5C 2dxz -0.588250 0.605275 -0.018146 -0.032874 0.090960 -0.038208 5C 2dyz 1.455414 -1.698814 0.038249 0.134642 -0.036311 -0.028433 5C 2dx2y2 1.046223 -1.092626 -0.036589 0.063540 -0.021776 -0.035905 5C 2dxy 1.018796 -1.145870 0.027599 0.085555 -0.047375 0.102342 5C 1f0 -0.280610 0.302559 0.007320 -0.007400 0.008979 -0.028851 5C 1f+1 0.019421 -0.051734 0.007119 0.005401 0.004743 0.020723 5C 1f-1 -0.057950 0.068794 -0.009155 0.003453 0.011441 -0.021303 5C 1f+2 -0.313471 0.355711 -0.017769 -0.026805 0.005295 0.017807 5C 1f-2 -0.269139 0.330762 0.001233 -0.022367 -0.007484 0.013688 5C 1f+3 0.291782 -0.352953 0.002173 0.024171 -0.005281 0.022176 5C 1f-3 -0.150552 0.207520 -0.023929 -0.033122 -0.005694 0.001056 6C 1s 0.009081 -0.007012 -0.000191 -0.000725 -0.000909 0.000026 6C 2s -0.000475 0.008224 -0.001105 -0.000051 -0.002213 -0.000172 6C 3s 1.390428 -1.935894 0.099759 -0.142844 0.029433 0.019756 6C 4s -6.814386 9.347191 -0.496192 0.706491 -0.059269 -0.072613 6C 5s 0.951083 -0.826541 -0.084591 -0.219544 -0.056489 0.028610 6C 1pz 0.138443 -0.131885 0.002533 -0.008287 0.004014 0.009614 6C 1px 0.089118 -0.083869 -0.005744 -0.008826 0.006484 -0.001602 6C 1py -0.240329 0.225771 -0.000314 0.021662 -0.003034 -0.003242 6C 2pz -2.562474 2.626162 -0.036073 0.169687 -0.051207 -0.122629 6C 2px -1.529514 1.505769 0.035587 0.101598 -0.033775 0.164095 6C 2py 4.356537 -4.440105 0.044395 -0.312241 0.073368 0.107983 6C 3pz 0.309940 1.180656 0.001534 -0.113600 0.010618 -0.040520 6C 3px 0.145006 0.741179 -0.001190 -0.014700 -0.005395 0.031775 6C 3py -0.503260 -1.941005 -0.001536 0.184014 -0.017398 0.068512 6C 1dz2 0.063799 -0.111534 0.003332 -0.012317 -0.006110 -0.007801 6C 1dxz -0.059131 0.028016 0.007341 -0.005182 0.017504 -0.004289 6C 1dyz 0.215714 -0.273865 0.005916 -0.003486 -0.008626 0.008866 6C 1dx2y2 0.116058 -0.069413 0.001450 0.003571 -0.001258 -0.006552 6C 1dxy 0.125345 -0.126693 -0.002378 -0.005123 0.000524 0.000911 6C 2dz2 0.370234 -0.473839 0.052860 -0.061975 0.022824 0.024457 6C 2dxz -0.591727 0.606408 -0.016982 0.028936 -0.072800 -0.064237 6C 2dyz 1.463095 -1.689545 0.045085 -0.131489 0.043998 -0.014820 6C 2dx2y2 1.047776 -1.087905 -0.034368 -0.063015 0.030968 -0.027008 6C 2dxy 1.026960 -1.146360 0.028560 -0.080355 0.013633 0.113307 6C 1f0 0.282283 -0.302367 -0.007595 -0.007297 -0.000169 0.030473 6C 1f+1 -0.020405 0.051921 -0.007076 0.005128 0.010445 -0.018548 6C 1f-1 0.058321 -0.068612 0.008709 0.004331 0.004486 0.023667 6C 1f+2 0.315136 -0.354228 0.019239 -0.025060 0.010344 -0.015248 6C 1f-2 0.270186 -0.328385 0.000443 -0.022812 -0.002495 -0.014927 6C 1f+3 -0.294062 0.351946 -0.003116 0.024283 0.001586 -0.022921 6C 1f-3 0.151814 -0.206386 0.026135 -0.031412 -0.004727 -0.002329 7C 1s 0.009555 0.006310 0.000267 0.000904 0.000361 0.000235 7C 2s -0.001090 -0.008193 -0.000040 0.000458 0.000752 0.000973 7C 3s 1.528144 1.831649 0.088767 0.139716 0.011519 -0.043432 7C 4s -7.471846 -8.829195 -0.465535 -0.696420 -0.083537 0.196820 7C 5s 1.030608 0.760555 -0.132487 0.119340 -0.038232 0.028158 7C 1pz 0.256515 0.207411 -0.008839 0.015600 -0.009036 -0.009321 7C 1px 0.049100 0.039734 0.002934 -0.002242 -0.001225 -0.002849 7C 1py 0.168499 0.139233 -0.000813 0.014455 0.006502 0.011022 7C 2pz -4.713212 -4.113492 0.088603 -0.263308 0.063897 0.037722 7C 2px -0.696882 -0.664998 0.001876 0.062201 -0.020733 0.030093 7C 2py -3.060500 -2.701517 0.049119 -0.147655 -0.002972 -0.007290 7C 3pz 0.376095 -1.971394 0.012180 0.126459 -0.023297 0.014169 7C 3px 0.013748 -0.391104 0.033580 0.070214 0.005310 0.020242 7C 3py 0.224409 -1.353556 0.019252 0.108099 -0.017701 0.019977 7C 1dz2 -0.142959 -0.118741 0.006258 0.005692 0.004321 0.009404 7C 1dxz -0.056252 -0.010759 -0.000399 0.000729 -0.000523 -0.001454 7C 1dyz -0.257702 -0.265178 -0.003888 -0.009871 -0.008340 -0.007109 7C 1dx2y2 0.037678 -0.025556 -0.008929 -0.007176 -0.003427 -0.000179 7C 1dxy -0.075641 -0.099724 -0.008600 -0.008434 0.007139 0.014018 7C 2dz2 -1.116665 -1.076431 0.011411 -0.032720 0.018293 0.030178 7C 2dxz -0.667406 -0.553101 0.070188 -0.024114 0.058258 0.019394 7C 2dyz -1.841046 -1.811935 -0.011056 -0.135597 0.009512 0.025072 7C 2dx2y2 0.532927 0.435440 -0.059084 -0.001512 0.015549 0.043295 7C 2dxy -0.466044 -0.480317 -0.034296 -0.069097 -0.027432 -0.023101 7C 1f0 -0.090210 -0.101507 0.006828 0.006316 0.011407 0.024375 7C 1f+1 -0.152865 -0.182420 -0.026923 -0.027184 -0.005482 0.006643 7C 1f-1 -0.530512 -0.513240 0.002779 -0.028409 0.003751 0.003862 7C 1f+2 0.266882 0.293255 0.008217 0.020330 0.018444 0.010671 7C 1f-2 -0.168259 -0.161015 -0.009002 -0.010214 0.006969 0.016310 7C 1f+3 -0.099614 -0.083009 -0.002980 -0.014175 0.001231 0.001815 7C 1f-3 -0.083127 -0.104002 -0.012680 -0.030716 -0.002978 -0.000142 8C 1s -0.016295 0.014525 0.000168 0.000471 -0.000366 -0.000802 8C 2s -0.004374 -0.001533 0.000844 -0.000742 -0.000708 -0.000845 8C 3s -1.617154 1.878704 -0.050571 0.132535 0.002247 -0.030607 8C 4s 8.378434 -9.531111 0.211626 -0.655604 0.071072 0.184875 8C 5s -2.897250 0.456607 0.005163 0.435148 0.023824 -0.009906 8C 1pz 0.111170 -0.142586 0.005078 -0.009855 -0.003635 0.001856 8C 1px 0.060687 -0.079178 -0.000424 -0.003683 -0.007035 -0.003063 8C 1py -0.171007 0.224686 -0.012337 0.017251 -0.001486 -0.001192 8C 2pz -2.512611 2.915562 -0.039414 0.161873 0.006071 -0.076081 8C 2px -1.491518 1.697614 0.019131 0.123330 0.094195 0.014645 8C 2py 4.037521 -4.684317 0.152675 -0.345775 0.148181 0.049313 8C 3pz 0.176040 0.135711 -0.012752 -0.032537 -0.006224 -0.002081 8C 3px 0.051063 0.229261 -0.004547 -0.048228 -0.008207 -0.022250 8C 3py -0.175438 -0.452807 0.015458 0.050685 -0.002002 0.004475 8C 1dz2 -0.062084 0.068792 -0.002117 -0.000705 0.000093 -0.007436 8C 1dxz 0.086891 -0.101668 0.010672 -0.012810 0.008230 0.001440 8C 1dyz -0.241443 0.270410 0.001189 0.015682 -0.005283 0.004002 8C 1dx2y2 -0.178767 0.199955 0.006080 0.002648 0.005403 -0.007993 8C 1dxy -0.163520 0.184448 -0.010123 0.013934 -0.008545 -0.005864 8C 2dz2 -0.244314 0.292182 -0.024611 0.027342 -0.040754 0.009940 8C 2dxz 0.467584 -0.547909 0.048839 -0.031285 0.097186 -0.008149 8C 2dyz -1.141421 1.283323 -0.046358 0.134383 -0.018283 0.002366 8C 2dx2y2 -0.932695 1.071904 -0.011861 0.052819 0.008415 -0.043861 8C 2dxy -0.795270 0.917340 0.000809 0.035497 0.022297 -0.005047 8C 1f0 0.192225 -0.223291 -0.001330 -0.003229 -0.007378 0.005830 8C 1f+1 -0.023472 0.014943 0.003072 0.012131 0.009673 0.006196 8C 1f-1 -0.070194 0.072091 0.004482 -0.010769 0.013874 -0.020433 8C 1f+2 0.521133 -0.552594 0.006500 -0.031117 -0.002929 0.017128 8C 1f-2 0.400218 -0.420485 0.009940 -0.030727 -0.007075 0.004477 8C 1f+3 -0.254196 0.276776 -0.018451 0.020579 -0.016693 0.000784 8C 1f-3 0.089262 -0.091852 -0.009997 -0.006929 -0.015717 0.007657 9C 1s -0.017340 -0.013261 0.000368 -0.000684 0.000152 -0.000002 9C 2s -0.004186 0.001905 0.000843 0.000249 0.000260 -0.000261 9C 3s -1.756751 -1.756863 -0.025801 -0.121592 -0.006770 0.015795 9C 4s 9.074260 8.893707 0.058153 0.594973 -0.001878 -0.081287 9C 5s -2.961402 -0.257080 0.046407 -0.344888 0.054070 -0.011268 9C 1pz 0.190899 0.214487 0.008713 0.014601 0.007740 0.005935 9C 1px 0.026803 0.031688 0.004926 0.009462 0.002305 0.000360 9C 1py 0.129812 0.145365 0.002819 0.008876 -0.005435 -0.013105 9C 2pz -4.413705 -4.414404 -0.050303 -0.273957 -0.062565 -0.079024 9C 2px -0.744068 -0.728148 -0.045741 -0.105163 -0.013526 0.014853 9C 2py -2.994544 -3.002097 0.030625 -0.167042 0.123625 0.241384 9C 3pz 0.173984 -0.427156 -0.008590 0.057090 -0.002755 0.034404 9C 3px -0.035327 -0.203458 -0.016602 -0.009627 -0.003325 -0.003958 9C 3py 0.134937 -0.254022 -0.019787 0.011066 -0.023098 -0.037378 9C 1dz2 0.192753 0.186824 0.000499 0.018679 -0.003236 -0.007796 9C 1dxz 0.096332 0.097423 -0.008932 -0.004275 -0.001241 -0.000975 9C 1dyz 0.300990 0.291549 0.000132 0.012091 -0.001528 -0.003712 9C 1dx2y2 -0.085298 -0.083287 -0.000251 -0.001271 -0.000077 -0.001782 9C 1dxy 0.066965 0.064729 -0.004849 -0.004881 0.001419 0.004956 9C 2dz2 0.972701 0.962679 0.001448 0.054159 0.008302 -0.006584 9C 2dxz 0.501695 0.519935 -0.025708 0.022717 -0.029462 -0.052700 9C 2dyz 1.441524 1.411177 0.018226 0.102867 -0.021425 -0.051364 9C 2dx2y2 -0.492863 -0.489015 -0.000021 -0.003659 -0.024029 -0.059518 9C 2dxy 0.267105 0.267668 0.040805 0.033485 0.067187 0.114788 9C 1f0 -0.144648 -0.130428 0.000444 -0.019990 0.003097 0.019882 9C 1f+1 -0.122909 -0.111694 -0.001769 -0.014070 -0.013663 -0.024477 9C 1f-1 -0.541557 -0.509489 -0.005978 -0.028180 -0.004657 -0.006219 9C 1f+2 0.405487 0.359917 0.006000 0.023067 -0.005240 -0.014217 9C 1f-2 -0.365130 -0.334167 0.007150 -0.017842 0.000289 0.006553 9C 1f+3 0.105119 0.081314 0.009446 0.010932 0.010942 0.023631 9C 1f-3 0.020931 0.024470 -0.003984 0.000222 0.001397 0.004900 10H 1s -0.147341 -0.107360 -0.009342 0.020915 -0.006289 0.010958 10H 2s -0.109475 -0.072685 -0.035025 0.049686 -0.018291 0.036077 10H 3s 0.373913 0.214388 -0.002103 -0.034431 0.013140 -0.015882 10H 1pz -0.128226 -0.107874 -0.006860 0.019316 -0.013416 0.016487 10H 1px 0.073648 0.047806 0.009634 -0.017686 0.000859 -0.006485 10H 1py -0.059004 -0.050584 -0.010682 0.010633 0.014027 -0.012071 11H 1s -0.209727 -0.189160 0.012802 0.004766 -0.021190 0.020259 11H 2s -0.293302 -0.285960 0.051790 0.003548 -0.120755 0.112320 11H 3s 0.522087 0.420336 -0.014086 -0.032434 0.052615 -0.051489 11H 1pz -0.162839 -0.144514 0.010231 0.011422 -0.031436 0.029134 11H 1px -0.136439 -0.128244 0.010234 0.001859 -0.015232 0.013532 11H 1py 0.032171 0.032925 -0.007823 0.000770 0.020085 -0.021487 12H 1s -0.185526 -0.156585 -0.005771 0.004878 0.028862 -0.031645 12H 2s -0.206838 -0.185330 -0.047249 0.009827 0.166482 -0.162385 12H 3s 0.469972 0.338323 0.021393 -0.052643 -0.054428 0.067778 12H 1pz -0.033558 -0.030251 0.002697 0.001369 -0.008359 0.011257 12H 1px -0.092734 -0.084123 -0.001035 -0.000366 0.018254 -0.020251 12H 1py -0.160802 -0.136615 -0.014975 0.009282 0.050534 -0.048421 13H 1s -0.141493 0.123565 0.009193 -0.015755 -0.021830 -0.007997 13H 2s -0.113345 0.087447 0.021812 -0.036484 -0.087057 -0.015545 13H 3s 0.363004 -0.244996 -0.000102 0.066585 0.027073 0.003961 13H 1pz -0.097389 0.088733 0.002596 -0.014461 -0.011659 0.001339 13H 1px 0.050497 -0.036824 -0.008338 0.006911 0.024410 0.009907 13H 1py 0.104677 -0.105885 -0.008182 0.006139 0.018715 0.003202 14H 1s -0.160423 0.158599 -0.016425 -0.018439 0.024426 0.008030 14H 2s -0.150584 0.178226 -0.071304 -0.029493 0.130286 0.041012 14H 3s 0.406375 -0.355791 0.019384 0.037514 -0.039147 0.001065 14H 1pz -0.077008 0.077319 -0.015661 -0.017577 0.019343 0.006547 14H 1px -0.134117 0.142878 -0.022321 -0.014439 0.038330 0.006954 14H 1py 0.046801 -0.050373 0.001048 0.005272 -0.001927 0.002988 15H 1s -0.197524 0.210376 0.006264 0.003080 -0.009615 -0.021983 15H 2s -0.294603 0.324215 0.030174 0.040154 -0.052834 -0.080548 15H 3s 0.501717 -0.471704 -0.006330 0.035005 0.016541 0.026951 15H 1pz 0.075351 -0.086156 -0.006251 -0.010731 0.009918 0.016975 15H 1px -0.062214 0.067357 -0.003087 -0.000201 0.010069 -0.002114 15H 1py 0.180796 -0.187187 -0.006612 0.000486 0.018528 0.029331 16H 1s -0.004470 0.012413 0.001534 0.001884 0.002098 -0.006118 16H 2s 0.005633 0.052015 -0.000255 0.030087 0.000133 -0.010077 16H 3s 0.002944 -0.016395 -0.012768 0.001908 0.000650 0.000646 16H 1pz 0.003987 0.027333 -0.001757 0.013108 0.001045 -0.007085 16H 1px -0.008733 -0.002658 0.015566 -0.001669 0.003261 -0.003105 16H 1py 0.002923 0.015217 0.009690 -0.012408 0.003280 -0.006042 17H 1s -0.006029 -0.012381 -0.002675 0.005756 -0.002262 0.005126 17H 2s 0.001330 -0.044521 -0.014253 0.043234 -0.006265 0.020106 17H 3s 0.008996 0.013893 -0.012329 0.000278 -0.006726 0.015901 17H 1pz 0.006126 0.015331 -0.002568 -0.015136 -0.001075 0.002487 17H 1px -0.005807 0.016159 0.020282 -0.016958 0.008424 -0.019462 17H 1py 0.000584 -0.016088 0.006227 -0.006651 0.000055 0.003301 18H 1s -0.005959 -0.012165 -0.002037 -0.005821 0.000779 0.005435 18H 2s 0.001455 -0.044031 -0.011745 -0.044145 0.000186 0.021900 18H 3s 0.008986 0.013659 -0.012224 -0.001575 0.001661 0.017218 18H 1pz -0.006125 -0.015746 0.003760 -0.014854 -0.000009 -0.002391 18H 1px 0.005963 -0.015996 -0.019286 -0.018302 0.002122 0.021289 18H 1py -0.000733 0.015104 -0.006104 -0.007704 0.000877 -0.002874 19H 1s -0.004637 0.012213 0.001382 -0.002000 -0.000205 -0.006395 19H 2s 0.005662 0.051931 0.002517 -0.029047 0.002283 -0.008272 19H 3s 0.002809 -0.016524 -0.012565 -0.002064 -0.001480 0.000878 19H 1pz -0.003799 -0.026665 0.000970 0.013224 -0.000945 0.006338 19H 1px 0.008792 0.002891 -0.015248 -0.002275 0.001549 0.004095 19H 1py -0.002879 -0.016048 -0.008996 -0.012871 0.001322 0.006927 20H 1s -0.198365 0.209627 0.006436 -0.002916 0.015424 -0.018225 20H 2s -0.295233 0.321514 0.032858 -0.039043 0.072875 -0.061275 20H 3s 0.504283 -0.468871 -0.004311 -0.034923 -0.023262 0.021417 20H 1pz -0.075648 0.085579 0.006850 -0.010413 0.014351 -0.013268 20H 1px 0.063867 -0.068620 0.002959 0.000190 0.008150 0.005273 20H 1py -0.181023 0.185658 0.006812 0.000627 0.025763 -0.022662 21H 1s -0.162036 0.159451 -0.017356 0.017114 -0.024267 0.000188 21H 2s -0.153755 0.180427 -0.072601 0.024948 -0.130022 -0.000064 21H 3s 0.410025 -0.356998 0.021020 -0.036236 0.034347 0.013365 21H 1pz 0.078501 -0.078302 0.016690 -0.016609 0.019761 -0.000220 21H 1px 0.135279 -0.143297 0.022901 -0.012736 0.036439 0.004975 21H 1py -0.046536 0.049453 -0.001240 0.005122 -0.000883 -0.003504 22H 1s -0.141881 0.123305 0.008500 0.016488 0.022191 -0.001511 22H 2s -0.113414 0.087284 0.020267 0.038310 0.082732 0.010371 22H 3s 0.363902 -0.244200 0.003108 -0.066279 -0.025381 -0.003427 22H 1pz 0.097403 -0.088434 -0.002008 -0.014650 -0.009828 -0.004502 22H 1px -0.050536 0.036882 0.008094 0.007549 0.025068 -0.002413 22H 1py -0.105501 0.105888 0.008076 0.006706 0.017910 0.002378 23H 1s -0.187627 -0.158967 -0.005144 -0.005533 -0.018022 -0.038557 23H 2s -0.211326 -0.191132 -0.045747 -0.013843 -0.110170 -0.203444 23H 3s 0.474471 0.344854 0.017177 0.054630 0.031998 0.080024 23H 1pz 0.032362 0.028934 -0.002933 0.001120 -0.004544 -0.013366 23H 1px 0.091746 0.083659 0.000676 -0.000292 0.010719 0.023256 23H 1py 0.163927 0.140024 0.014068 0.010603 0.034125 0.061508 24H 1s -0.210029 -0.189187 0.013153 -0.003971 0.014241 0.026495 24H 2s -0.291304 -0.284056 0.052024 0.000729 0.082684 0.147212 24H 3s 0.521894 0.419868 -0.016937 0.031565 -0.034576 -0.065972 24H 1pz 0.161788 0.143520 -0.011076 0.010387 -0.021195 -0.037702 24H 1px 0.138178 0.129891 -0.010700 0.001115 -0.011163 -0.019324 24H 1py -0.029872 -0.030611 0.007419 0.001283 0.012559 0.026594 25H 1s -0.148337 -0.108069 -0.007983 -0.021348 0.001988 0.011284 25H 2s -0.111470 -0.073709 -0.032927 -0.051504 0.004746 0.036143 25H 3s 0.376097 0.215684 -0.004853 0.034292 -0.007333 -0.017039 25H 1pz 0.129298 0.108587 0.005793 0.019566 -0.007629 -0.019321 25H 1px -0.074424 -0.048240 -0.008763 -0.018136 -0.001873 0.005115 25H 1py 0.059110 0.050945 0.009858 0.011081 0.009839 0.015975 26O 1s -0.000248 0.002084 0.000425 0.000194 0.000025 0.000026 26O 2s -0.000067 0.008687 0.001798 0.000127 0.000195 -0.000004 26O 3s -0.070695 -0.177466 -0.029398 0.016376 -0.002168 0.002579 26O 4s 0.249066 0.610210 0.083670 -0.062190 0.005268 -0.008408 26O 5s -0.131185 -0.795208 0.186086 -0.248738 -0.012515 -0.030295 26O 1pz 0.019683 0.035561 0.007563 -0.007395 -0.005521 0.004508 26O 1px -0.020020 -0.000674 0.001829 -0.004793 -0.004085 0.004685 26O 1py 0.010569 0.020003 -0.003312 0.002142 0.011004 -0.010900 26O 2pz -0.028947 -0.101785 -0.033860 0.032000 0.019428 -0.013040 26O 2px -0.126265 -0.281971 -0.052875 0.083465 0.012270 -0.006658 26O 2py -0.082392 -0.169800 -0.017460 0.027225 -0.031677 0.036351 26O 3pz -0.117133 -0.410599 0.007479 -0.075039 -0.006951 0.030689 26O 3px -0.010110 -0.134584 -0.089531 -0.005201 -0.005769 0.041641 26O 3py -0.069144 -0.287528 -0.031858 -0.011164 0.025143 -0.034674 26O 1dz2 0.016560 0.020908 -0.000102 -0.005933 -0.010623 0.010446 26O 1dxz -0.009777 -0.014301 0.004955 -0.006446 -0.006676 0.003453 26O 1dyz -0.000522 0.015242 0.006701 -0.007317 0.001496 -0.006243 26O 1dx2y2 -0.005004 -0.010024 0.002796 0.000531 -0.007349 0.004011 26O 1dxy -0.013441 -0.015868 0.001719 -0.000271 0.003082 0.003344 26O 2dz2 -0.028065 -0.082413 -0.014721 0.012447 0.005938 -0.000849 26O 2dxz -0.002982 -0.004674 0.019362 -0.016750 -0.002702 -0.000252 26O 2dyz 0.008634 -0.006757 0.011999 -0.012162 -0.002421 0.001179 26O 2dx2y2 0.046791 0.100904 0.013161 -0.015986 -0.004711 0.000419 26O 2dxy 0.046980 0.086246 0.019408 -0.024226 0.008575 -0.008742 26O 1f0 0.012267 0.015541 0.113263 -0.069274 -0.429585 0.369280 26O 1f+1 -0.015017 -0.032777 -0.059340 0.042559 0.098427 -0.064576 26O 1f-1 0.017247 0.014395 0.052351 -0.080369 -0.008412 -0.024200 26O 1f+2 0.004747 0.020370 0.060939 -0.047310 -0.204717 0.179450 26O 1f-2 -0.043938 -0.040803 0.071900 -0.023126 -0.271679 0.232924 26O 1f+3 0.009375 0.005285 0.024000 -0.033417 -0.037432 0.016886 26O 1f-3 0.032682 0.010338 0.017131 0.007745 -0.062511 0.056075 27O 1s -0.000524 -0.001900 0.000282 -0.000025 -0.000589 0.000404 27O 2s -0.001514 -0.008037 0.001319 0.000026 -0.002119 0.002055 27O 3s -0.041490 0.175345 -0.021315 -0.009257 0.021424 -0.037151 27O 4s 0.139506 -0.605711 0.061978 0.027258 -0.052581 0.158843 27O 5s -0.135029 0.777990 0.208526 0.143993 0.049778 -0.060356 27O 1pz 0.017803 -0.026159 -0.009022 0.002818 0.007428 0.003672 27O 1px -0.021541 -0.003876 0.005492 0.005422 0.000484 -0.004686 27O 1py -0.013255 0.035553 0.001394 0.001888 0.002352 0.000573 27O 2pz -0.018793 0.042625 0.031263 -0.004462 -0.029602 -0.011739 27O 2px -0.071466 0.322523 -0.056756 -0.056437 0.004154 -0.058192 27O 2py 0.023309 -0.137370 0.000535 0.003130 -0.002263 0.009428 27O 3pz -0.047540 0.239368 0.024683 0.050753 0.006570 -0.015094 27O 3px 0.009276 0.210415 -0.109256 -0.030536 0.014147 -0.047336 27O 3py 0.107944 -0.419761 0.002934 -0.018479 -0.016777 0.048390 27O 1dz2 0.006566 -0.004469 0.003516 0.001644 0.004803 0.006985 27O 1dxz -0.005241 0.005051 -0.003712 0.004597 0.003559 -0.001469 27O 1dyz -0.005118 0.019792 -0.005513 -0.006334 -0.005785 0.003636 27O 1dx2y2 -0.014279 0.027158 -0.006389 -0.004766 -0.003018 0.004614 27O 1dxy 0.009075 -0.011190 0.001711 0.001054 0.000556 -0.003850 27O 2dz2 -0.025959 0.076274 -0.006192 -0.010087 -0.002190 -0.014542 27O 2dxz -0.007457 0.027076 -0.014954 -0.008000 0.009903 0.010890 27O 2dyz -0.010747 -0.008122 -0.006404 -0.000386 0.003158 -0.004043 27O 2dx2y2 0.033942 -0.134961 0.012488 0.020966 -0.001272 0.019623 27O 2dxy -0.011654 0.026451 -0.000103 0.000563 0.004906 -0.012319 27O 1f0 -0.014112 0.021835 -0.006952 0.011810 0.004302 0.090706 27O 1f+1 0.027717 -0.013772 0.035980 -0.001892 -0.115230 -0.037091 27O 1f-1 -0.023371 0.022800 0.092436 -0.041404 -0.319047 -0.002120 27O 1f+2 -0.005327 0.008785 -0.016177 -0.015888 0.006326 0.089111 27O 1f-2 0.033278 -0.048276 0.004902 -0.011775 -0.016051 -0.018200 27O 1f+3 -0.002426 0.025068 -0.034816 -0.000084 0.078472 0.010507 27O 1f-3 -0.028121 0.017142 -0.014546 0.005958 0.047384 -0.027586 28O 1s -0.000713 0.001663 0.000352 0.000097 0.000189 -0.000153 28O 2s -0.003287 0.006187 0.001655 0.000517 0.000340 -0.000667 28O 3s -0.001579 -0.128154 -0.027562 -0.002580 0.004196 0.010536 28O 4s -0.066842 0.387476 0.081758 0.008619 -0.039244 -0.032346 28O 5s -0.253535 -0.855645 0.261835 -0.045084 -0.026928 -0.071614 28O 1pz -0.003873 0.026819 -0.000974 -0.003006 0.000362 -0.006490 28O 1px 0.036012 0.022855 -0.010814 -0.001154 0.002167 -0.001513 28O 1py 0.014606 0.025663 0.001829 0.003649 -0.005117 0.007268 28O 2pz 0.023242 -0.186237 -0.032073 0.014794 0.012989 0.033468 28O 2px -0.055199 0.102259 0.074607 -0.007474 -0.028411 -0.010378 28O 2py -0.017737 -0.080167 -0.010487 -0.009793 0.025549 -0.024693 28O 3pz -0.143885 -0.426593 -0.031232 0.005730 -0.001552 0.000768 28O 3px -0.134486 -0.089245 0.105947 -0.030065 -0.012987 -0.052585 28O 3py -0.114235 -0.291239 0.022828 0.027022 0.002327 0.045031 28O 1dz2 0.002555 0.003888 0.000000 -0.005742 0.004196 -0.000274 28O 1dxz 0.012096 0.022624 0.007861 -0.002383 0.003628 -0.007714 28O 1dyz 0.005993 0.017147 0.005833 0.001096 0.000656 -0.004077 28O 1dx2y2 -0.004929 -0.005248 -0.001135 0.002973 0.009985 -0.011274 28O 1dxy 0.007759 0.014875 0.004169 -0.004230 -0.007215 0.011230 28O 2dz2 0.005080 -0.006759 -0.003511 0.007041 0.006385 -0.004567 28O 2dxz -0.007254 -0.093261 -0.013483 0.005408 0.005242 0.009294 28O 2dyz 0.011891 0.001572 0.008857 0.008439 -0.006712 0.001037 28O 2dx2y2 0.008901 0.069549 0.019009 -0.011394 -0.008585 -0.003050 28O 2dxy 0.005427 -0.010361 -0.000085 -0.004188 0.013077 -0.006647 28O 1f0 -0.018990 -0.026907 -0.014450 -0.016565 0.007985 -0.029320 28O 1f+1 0.024467 0.009163 -0.019892 -0.032461 0.045561 -0.051306 28O 1f-1 -0.036573 -0.034948 -0.033888 -0.008794 0.054585 -0.054415 28O 1f+2 -0.020775 0.001755 -0.050197 -0.027508 0.145418 -0.145806 28O 1f-2 0.037260 0.034999 -0.019965 0.005096 0.053154 -0.055250 28O 1f+3 -0.011974 -0.004910 0.077972 0.005477 -0.200117 0.173145 28O 1f-3 -0.023342 -0.037809 -0.003888 -0.001570 0.050366 -0.033455 29O 1s -0.001878 0.000041 0.000099 0.001074 -0.000140 0.000110 29O 2s -0.006075 0.000094 0.000377 0.003238 -0.000433 0.000329 29O 3s 0.056010 0.000076 -0.005896 -0.025464 0.003673 -0.002182 29O 4s -0.133003 -0.001231 0.028585 0.052994 -0.008179 0.000528 29O 5s 0.192696 -0.007230 -0.058705 -0.145113 0.016094 0.001741 29O 1pz 0.002730 -0.011501 -0.001394 -0.002803 -0.001755 0.004908 29O 1px -0.013117 -0.003386 0.001094 0.010593 0.000523 -0.000192 29O 1py 0.000828 -0.000075 0.001087 -0.001010 0.002757 -0.002079 29O 2pz -0.001724 0.062353 0.008865 0.004021 0.007521 -0.022866 29O 2px 0.029615 0.019793 -0.001000 -0.032985 0.000787 -0.004397 29O 2py 0.000328 -0.001218 -0.003669 0.008653 -0.007440 0.006479 29O 3pz 0.014399 0.005001 -0.010216 -0.004339 -0.001119 0.001774 29O 3px -0.068761 0.005313 0.039228 0.019504 -0.002357 -0.009564 29O 3py -0.008354 -0.002914 -0.015953 0.059593 0.005099 -0.002984 29O 1dz2 0.000532 -0.001661 0.007940 -0.006134 0.002080 -0.006751 29O 1dxz 0.002762 0.000141 0.008152 -0.009158 0.000954 0.000629 29O 1dyz 0.002604 -0.006058 -0.007339 0.003715 -0.002752 0.008609 29O 1dx2y2 -0.003873 -0.000472 -0.001138 0.008557 -0.001247 0.004034 29O 1dxy -0.004315 -0.001651 0.012975 -0.006963 0.004316 -0.008053 29O 2dz2 -0.003138 -0.016413 -0.001725 0.002047 -0.000977 0.002741 29O 2dxz -0.000538 0.012538 0.013273 -0.012573 0.003363 -0.007881 29O 2dyz -0.000075 -0.026852 -0.003391 0.000303 -0.003001 0.009926 29O 2dx2y2 0.000597 0.003392 -0.026920 0.028069 -0.003822 0.006426 29O 2dxy -0.003985 -0.011146 0.002988 0.004093 -0.000548 0.003020 29O 1f0 -0.002410 -0.001621 0.175920 -0.175944 0.025945 -0.037817 29O 1f+1 0.000003 -0.011939 -0.146968 0.146848 -0.020986 0.028478 29O 1f-1 0.003990 -0.004044 -0.277642 0.266404 -0.039936 0.064756 29O 1f+2 0.013962 0.007912 -0.318588 0.294409 -0.045147 0.079662 29O 1f-2 0.005294 0.002237 0.071294 -0.087158 0.007743 -0.007106 29O 1f+3 0.017113 -0.005363 -0.136430 0.093519 -0.020929 0.044240 29O 1f-3 0.000504 -0.000978 0.445567 -0.450365 0.058996 -0.084756 30O 1s -0.000773 -0.001743 0.000057 -0.000808 -0.000351 -0.000593 30O 2s -0.003193 -0.006470 0.000309 -0.002550 -0.000977 -0.002673 30O 3s -0.004562 0.134683 -0.008835 0.014912 0.001850 0.040487 30O 4s -0.041040 -0.403278 0.023088 -0.029558 0.035140 -0.150833 30O 5s -0.122465 0.887288 0.084084 0.184046 0.081174 -0.049436 30O 1pz -0.000280 -0.013725 0.004983 0.006962 -0.002912 -0.001148 30O 1px 0.033111 -0.031137 0.007792 0.006040 -0.002100 -0.004212 30O 1py -0.000252 0.028410 0.000225 -0.001951 -0.005836 -0.006587 30O 2pz -0.006213 0.135489 -0.029130 -0.041175 -0.003315 0.036814 30O 2px -0.031918 -0.074848 -0.009581 0.011078 0.029294 -0.037471 30O 2py -0.007665 -0.165623 0.018851 0.030336 0.038524 -0.022115 30O 3pz -0.037596 0.250433 -0.022501 0.065380 -0.006011 0.036062 30O 3px -0.119001 0.173811 0.046597 0.006499 0.025937 -0.056855 30O 3py 0.112377 -0.449733 0.010757 -0.058100 0.004615 -0.035530 30O 1dz2 -0.005912 0.008086 -0.000322 0.003016 -0.002458 -0.004412 30O 1dxz 0.006154 -0.017749 -0.002739 0.001019 -0.003287 0.004787 30O 1dyz 0.002515 0.008066 -0.005527 -0.007892 0.003847 0.001416 30O 1dx2y2 -0.005237 0.002982 -0.002674 -0.007804 -0.005939 0.001693 30O 1dxy -0.012140 0.026846 -0.001036 -0.004814 -0.001848 -0.000191 30O 2dz2 -0.006528 0.019092 0.004240 0.001036 -0.007600 0.004186 30O 2dxz -0.012351 0.074060 -0.011572 -0.009632 0.000972 0.014285 30O 2dyz -0.016349 0.038337 -0.013795 -0.013577 -0.001330 0.020382 30O 2dx2y2 0.004020 -0.045329 -0.010806 -0.004832 0.002703 0.007516 30O 2dxy -0.000719 -0.069462 0.008548 0.009952 0.014738 -0.011716 30O 1f0 0.029823 -0.020539 -0.066521 -0.056200 0.082789 0.014942 30O 1f+1 -0.016453 0.030661 -0.019471 -0.028507 -0.032101 -0.108988 30O 1f-1 0.012388 -0.021674 -0.046685 -0.026866 0.141764 0.142858 30O 1f+2 0.019902 -0.028685 0.016841 -0.024912 -0.133738 -0.131310 30O 1f-2 -0.043962 0.030425 -0.078897 -0.079890 0.108650 0.056771 30O 1f+3 0.005240 0.005317 -0.044062 -0.018725 0.133511 0.114253 30O 1f-3 0.019817 -0.040077 0.020900 0.054499 0.026055 0.023611 31O 1s -0.000776 -0.001730 0.000053 0.000785 0.000532 -0.000478 31O 2s -0.003202 -0.006377 0.000332 0.002453 0.001806 -0.002318 31O 3s -0.004666 0.132491 -0.010240 -0.013856 -0.014927 0.038618 31O 4s -0.041885 -0.395220 0.028177 0.026499 0.015108 -0.155781 31O 5s -0.121313 0.898346 0.101412 -0.190594 -0.059730 -0.069178 31O 1pz 0.000165 0.013207 -0.005548 0.006804 -0.002805 0.000253 31O 1px -0.033240 0.031546 -0.007831 0.005131 -0.003084 0.003231 31O 1py 0.000571 -0.027945 -0.000205 -0.001877 -0.007265 0.004647 31O 2pz 0.006556 -0.131479 0.033377 -0.040890 0.007550 -0.036042 31O 2px 0.032158 0.069948 0.006109 0.014660 0.015020 0.044807 31O 2py 0.006705 0.161661 -0.021792 0.030089 0.028503 0.032050 31O 3pz 0.039420 -0.248741 0.020121 0.064167 0.007938 -0.036480 31O 3px 0.118492 -0.178599 -0.049777 0.007908 0.006638 0.061674 31O 3py -0.114810 0.448173 -0.010231 -0.055965 -0.006494 0.035924 31O 1dz2 -0.005931 0.007938 -0.000087 -0.003081 0.003478 -0.003296 31O 1dxz 0.006153 -0.017621 -0.002847 -0.001027 0.001224 0.005633 31O 1dyz 0.002319 0.008032 -0.006066 0.007629 -0.003972 0.000008 31O 1dx2y2 -0.005237 0.002963 -0.002973 0.007546 0.004846 0.003368 31O 1dxy -0.012214 0.026612 -0.001217 0.004757 0.001641 0.000275 31O 2dz2 -0.006687 0.018594 0.004212 -0.000486 0.005723 0.006265 31O 2dxz -0.012618 0.072565 -0.012885 0.009722 -0.005418 0.013310 31O 2dyz -0.016779 0.037005 -0.015529 0.013363 -0.005178 0.019797 31O 2dx2y2 0.004028 -0.044848 -0.011086 0.003789 -0.004687 0.006352 31O 2dxy -0.000391 -0.068072 0.009865 -0.010000 -0.009933 -0.015444 31O 1f0 -0.030181 0.020506 0.069505 -0.052507 0.078273 0.011684 31O 1f+1 0.016399 -0.030515 0.020731 -0.026243 -0.060968 0.095163 31O 1f-1 -0.012691 0.021793 0.048625 -0.024990 0.169232 -0.094304 31O 1f+2 -0.020220 0.028549 -0.015678 -0.024244 -0.160624 0.085692 31O 1f-2 0.043891 -0.030392 0.083445 -0.075191 0.113731 -0.020629 31O 1f+3 -0.005031 -0.005303 0.045728 -0.017040 0.154450 -0.068946 31O 1f-3 -0.019918 0.039846 -0.024091 0.052639 0.031437 -0.015213 32O 1s -0.001886 0.000039 0.000177 -0.001062 0.000096 0.000158 32O 2s -0.006100 0.000085 0.000613 -0.003197 0.000299 0.000474 32O 3s 0.056210 0.000202 -0.007735 0.025003 -0.002695 -0.003337 32O 4s -0.133140 -0.001506 0.032326 -0.051157 0.007348 0.003244 32O 5s 0.191925 -0.007522 -0.069026 0.140685 -0.015691 -0.005575 32O 1pz -0.002778 0.011378 0.001474 -0.002715 -0.000265 -0.005140 32O 1px 0.013279 0.003274 -0.001934 0.010444 0.000284 0.000333 32O 1py -0.000769 0.000293 -0.001061 -0.001122 0.001964 0.002769 32O 2pz 0.001995 -0.061834 -0.008915 0.003015 0.000701 0.023632 32O 2px -0.029935 -0.019174 0.003533 -0.032805 -0.000117 0.004525 32O 2py -0.000587 -0.000308 0.002918 0.008676 -0.005101 -0.008200 32O 3pz -0.014402 -0.005284 0.008915 -0.005755 -0.000269 -0.001971 32O 3px 0.068523 -0.005620 -0.041087 0.016441 -0.005286 0.008378 32O 3py 0.008782 0.003035 0.012078 0.060552 0.003868 0.003512 32O 1dz2 0.000445 -0.001664 0.008027 0.006944 0.000075 -0.007432 32O 1dxz 0.002839 0.000152 0.006809 0.008987 -0.000685 0.000385 32O 1dyz 0.002584 -0.006019 -0.006746 -0.003921 0.000004 0.008818 32O 1dx2y2 -0.003897 -0.000493 -0.000883 -0.008948 0.000087 0.004294 32O 1dxy -0.004296 -0.001613 0.012654 0.007738 -0.001248 -0.009079 32O 2dz2 -0.003059 -0.015404 -0.001364 -0.002164 0.000244 0.002248 32O 2dxz -0.000430 0.012867 0.012225 0.013343 -0.000758 -0.008760 32O 2dyz -0.000083 -0.027003 -0.003937 -0.001373 0.000128 0.010357 32O 2dx2y2 0.000572 0.003863 -0.025088 -0.029626 0.001454 0.007305 32O 2dxy -0.003966 -0.010537 0.003290 -0.004007 -0.000197 0.002919 32O 1f0 0.002630 0.001150 -0.177267 -0.200839 0.012646 0.048888 32O 1f+1 0.000097 0.012280 0.141366 0.161013 -0.010382 -0.035343 32O 1f-1 -0.004385 0.004282 0.261777 0.284048 -0.015959 -0.076291 32O 1f+2 -0.013698 -0.007919 0.278084 0.289881 -0.014695 -0.085683 32O 1f-2 -0.005028 -0.002137 -0.059658 -0.083817 0.004706 0.008419 32O 1f+3 -0.017445 0.004659 0.139009 0.110886 -0.004997 -0.051602 32O 1f-3 -0.000582 0.000952 -0.420918 -0.483564 0.027676 0.102798 33O 1s -0.000746 0.001666 0.000357 -0.000084 -0.000153 -0.000205 33O 2s -0.003451 0.006162 0.001662 -0.000435 -0.000217 -0.000757 33O 3s 0.001002 -0.127237 -0.027031 0.000946 -0.005581 0.009184 33O 4s -0.076456 0.382524 0.080413 -0.003553 0.040541 -0.021058 33O 5s -0.259287 -0.862423 0.251842 0.066368 0.047526 -0.058383 33O 1pz 0.004035 -0.026675 0.001197 -0.003054 -0.001726 0.006282 33O 1px -0.036679 -0.023340 0.010591 -0.000462 0.001706 0.002132 33O 1py -0.014389 -0.025542 -0.002008 0.003296 -0.002695 -0.008534 33O 2pz -0.026389 0.183787 0.029819 0.017718 0.020812 -0.028541 33O 2px 0.060526 -0.098579 -0.071771 -0.012495 -0.028212 0.001890 33O 2py 0.016577 0.079426 0.010836 -0.008184 0.016693 0.031258 33O 3pz 0.142768 0.426406 0.032117 0.006753 -0.002868 -0.001441 33O 3px 0.136655 0.090850 -0.103165 -0.037018 -0.026972 0.046602 33O 3py 0.116975 0.294081 -0.022173 0.024316 0.015603 -0.042887 33O 1dz2 0.002512 0.003836 -0.000392 0.005727 -0.003878 -0.001332 33O 1dxz 0.011877 0.022437 0.007622 0.002578 -0.001054 -0.008450 33O 1dyz 0.006196 0.017309 0.005646 -0.000560 0.000794 -0.004020 33O 1dx2y2 -0.004963 -0.005288 -0.000855 -0.002983 -0.006135 -0.013540 33O 1dxy 0.007654 0.014847 0.003936 0.004378 0.003638 0.012797 33O 2dz2 0.004881 -0.007010 -0.003260 -0.006847 -0.005170 -0.006227 33O 2dxz -0.005789 -0.092335 -0.012343 -0.006642 -0.006874 0.007551 33O 2dyz 0.011678 0.001485 0.009002 -0.007500 0.005696 0.003011 33O 2dx2y2 0.007782 0.068850 0.017826 0.012528 0.008762 -0.000533 33O 2dxy 0.005693 -0.010226 -0.000281 0.003735 -0.010286 -0.010193 33O 1f0 0.018312 0.026350 0.014509 -0.015706 -0.000825 0.030998 33O 1f+1 -0.024484 -0.009156 0.021307 -0.030223 0.028272 0.062523 33O 1f-1 0.037135 0.035486 0.034788 -0.005679 0.032919 0.067208 33O 1f+2 0.020629 -0.002015 0.050860 -0.022251 0.095366 0.182432 33O 1f-2 -0.037702 -0.035349 0.020380 0.006900 0.031301 0.067440 33O 1f+3 0.011964 0.004898 -0.077235 -0.001690 -0.138633 -0.223391 33O 1f-3 0.023291 0.037728 0.003753 -0.000819 0.040704 0.047258 34O 1s -0.000482 -0.001893 0.000286 0.000054 0.000443 0.000558 34O 2s -0.001330 -0.008024 0.001326 0.000089 0.001418 0.002586 34O 3s -0.044449 0.175217 -0.021646 0.007699 -0.009616 -0.041936 34O 4s 0.149133 -0.606573 0.063130 -0.022531 0.003233 0.167651 34O 5s -0.128639 0.777138 0.211451 -0.137593 -0.025817 -0.070804 34O 1pz -0.017821 0.025917 0.008680 0.003402 0.007776 -0.001299 34O 1px 0.021138 0.004073 -0.005638 0.005154 -0.001123 0.004506 34O 1py 0.013421 -0.035513 -0.001550 0.001552 0.002285 0.000115 34O 2pz 0.018334 -0.041894 -0.030408 -0.006633 -0.030334 0.002371 34O 2px 0.077243 -0.323482 0.058404 -0.053608 -0.012212 0.057611 34O 2py -0.024634 0.137580 -0.000360 0.004228 0.000806 -0.009591 34O 3pz 0.046914 -0.238481 -0.026808 0.050639 -0.000162 0.015511 34O 3px -0.004454 -0.208356 0.112658 -0.023001 0.000612 0.048519 34O 3py -0.108525 0.416716 -0.005033 -0.021695 -0.002492 -0.050261 34O 1dz2 0.006626 -0.004560 0.003672 -0.001264 -0.006175 0.005175 34O 1dxz -0.005278 0.004985 -0.003449 -0.004760 -0.003124 -0.002494 34O 1dyz -0.005336 0.019690 -0.005770 0.006080 0.004086 0.005173 34O 1dx2y2 -0.014402 0.027116 -0.006491 0.004321 0.001515 0.005109 34O 1dxy 0.009195 -0.011285 0.001961 -0.000712 0.000447 -0.003887 34O 2dz2 -0.027076 0.076158 -0.006424 0.009904 0.006066 -0.013366 34O 2dxz -0.007857 0.027182 -0.015431 0.006844 -0.012418 0.007412 34O 2dyz -0.010949 -0.008167 -0.006201 0.000113 -0.001819 -0.004858 34O 2dx2y2 0.035573 -0.134821 0.013518 -0.020217 -0.004226 0.019282 34O 2dxy -0.012451 0.026491 0.000387 0.000143 -0.001074 -0.013240 34O 1f0 0.013944 -0.022023 0.004540 0.011207 0.029799 -0.084821 34O 1f+1 -0.027740 0.013638 -0.035986 -0.003163 -0.115827 0.000524 34O 1f-1 0.023365 -0.022720 -0.089717 -0.045858 -0.291703 -0.093066 34O 1f+2 0.005313 -0.009090 0.015807 -0.015453 0.030773 -0.082602 34O 1f-2 -0.033501 0.048105 -0.003728 -0.011741 -0.020143 0.012869 34O 1f+3 0.002584 -0.024883 0.034740 0.001579 0.075088 0.013834 34O 1f-3 0.028139 -0.017113 0.013838 0.006988 0.035168 0.040470 35O 1s -0.000218 0.002103 0.000480 -0.000147 -0.000005 0.000021 35O 2s 0.000072 0.008791 0.001977 0.000074 -0.000062 -0.000045 35O 3s -0.072955 -0.179365 -0.030513 -0.019433 -0.000667 0.002751 35O 4s 0.256954 0.616910 0.086325 0.071020 0.004960 -0.007694 35O 5s -0.124699 -0.788902 0.173999 0.268942 0.021753 -0.026739 35O 1pz -0.019857 -0.035810 -0.006996 -0.007770 -0.003914 -0.005924 35O 1px 0.019603 0.000150 -0.001903 -0.005332 -0.002381 -0.005616 35O 1py -0.010495 -0.020065 0.003229 0.002413 0.007270 0.013577 35O 2pz 0.029893 0.102927 0.031810 0.033871 0.014973 0.018291 35O 2px 0.131097 0.286896 0.050622 0.089525 0.012510 0.010516 35O 2py 0.083709 0.171446 0.016515 0.028830 -0.018012 -0.043542 35O 3pz 0.113676 0.407413 -0.002230 -0.075364 0.003430 -0.030502 35O 3px 0.012253 0.136416 0.092857 0.004378 0.009732 -0.040190 35O 3py 0.070379 0.289240 0.035186 -0.007001 0.014942 0.040562 35O 1dz2 0.016514 0.020907 -0.000568 0.005898 0.006941 0.012992 35O 1dxz -0.009955 -0.014458 0.004545 0.006790 0.005463 0.005096 35O 1dyz -0.000458 0.015353 0.006134 0.007704 0.000483 -0.006307 35O 1dx2y2 -0.005142 -0.010155 0.003057 -0.000078 0.005780 0.005790 35O 1dxy -0.013525 -0.015966 0.001660 0.000317 -0.003989 0.002164 35O 2dz2 -0.028784 -0.083151 -0.014356 -0.013856 -0.005900 -0.002789 35O 2dxz -0.002786 -0.004491 0.018606 0.017892 0.003162 0.000560 35O 2dyz 0.009047 -0.006337 0.011470 0.013032 0.002362 0.001757 35O 2dx2y2 0.047647 0.101820 0.012708 0.017493 0.004919 0.001999 35O 2dxy 0.047919 0.087267 0.018627 0.025911 -0.004570 -0.010752 35O 1f0 -0.012332 -0.015598 -0.109298 -0.079337 -0.299140 -0.477553 35O 1f+1 0.014719 0.032577 0.056210 0.046872 0.073654 0.090620 35O 1f-1 -0.017479 -0.014487 -0.046332 -0.082208 -0.012943 0.019536 35O 1f+2 -0.005041 -0.020676 -0.058129 -0.052124 -0.140969 -0.230800 35O 1f-2 0.044176 0.041006 -0.070711 -0.030008 -0.189167 -0.301435 35O 1f+3 -0.008907 -0.004832 -0.021859 -0.034760 -0.029934 -0.027040 35O 1f-3 -0.032584 -0.010277 -0.017413 0.005883 -0.042875 -0.071325 618 619 620 621 622 623 5.15471 5.16959 5.17136 5.17231 5.17733 5.17989 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s -0.000026 -0.000010 -0.000027 0.000173 -0.000134 -0.000044 0Rh 2s -0.000107 0.000190 0.000220 -0.000852 0.000857 0.000365 0Rh 3s -0.000219 0.000055 -0.000033 0.000537 -0.000298 -0.000045 0Rh 4s 0.000490 -0.001078 -0.001289 0.005359 -0.005240 -0.002182 0Rh 5s -0.001759 0.002895 0.003030 -0.012815 0.013043 0.005651 0Rh 6s 0.004688 -0.004278 -0.002368 0.009235 -0.012553 -0.006709 0Rh 7s -0.007714 0.005225 -0.001402 0.015073 0.016561 0.019441 0Rh 8s 0.029147 0.062370 0.009564 -0.033336 -0.037179 -0.003310 0Rh 1pz 0.023800 -0.000559 -0.012617 -0.030622 0.016655 -0.023444 0Rh 1px -0.002190 -0.003300 -0.007010 -0.002660 0.008044 -0.004389 0Rh 1py 0.020661 0.018702 0.008300 -0.014947 -0.022050 -0.005481 0Rh 2pz -0.097461 0.002301 0.051511 0.125476 -0.068150 0.095584 0Rh 2px 0.008964 0.013572 0.028650 0.010929 -0.032948 0.017850 0Rh 2py -0.084518 -0.076616 -0.034019 0.061178 0.090339 0.022410 0Rh 3pz 0.292891 -0.007136 -0.151884 -0.378613 0.203794 -0.279290 0Rh 3px -0.026872 -0.041978 -0.084926 -0.033795 0.099229 -0.051363 0Rh 3py 0.252385 0.230937 0.102747 -0.183361 -0.272319 -0.066659 0Rh 4pz -0.339337 0.008835 0.167680 0.443235 -0.232883 0.300716 0Rh 4px 0.030979 0.052382 0.094741 0.042945 -0.115896 0.053196 0Rh 4py -0.288271 -0.270078 -0.120517 0.211288 0.318051 0.075322 0Rh 5pz 0.160367 -0.005672 -0.064234 -0.215585 0.101851 -0.100882 0Rh 5px -0.015090 -0.030810 -0.038042 -0.029430 0.056125 -0.014166 0Rh 5py 0.130640 0.131899 0.060034 -0.096868 -0.152838 -0.032849 0Rh 6pz -0.214164 0.021029 0.054955 0.275929 -0.087575 0.080418 0Rh 6px 0.009552 0.015519 0.046070 0.068858 -0.062850 0.007533 0Rh 6py -0.203469 -0.165419 -0.088856 0.089740 0.160210 0.061254 0Rh 1dz2 0.003451 0.001310 0.001428 -0.004408 0.000721 0.003299 0Rh 1dxz -0.005641 0.001272 -0.000711 0.011346 -0.003131 -0.006135 0Rh 1dyz 0.001908 0.002677 0.000662 0.000315 -0.005804 -0.000406 0Rh 1dx2y2 0.000862 0.002373 -0.000332 -0.000675 -0.003111 -0.002190 0Rh 1dxy -0.006063 -0.008295 -0.003710 0.004209 0.007292 0.000193 0Rh 2dz2 0.000206 0.001426 -0.000445 0.000392 0.001537 -0.001622 0Rh 2dxz 0.000221 0.000599 0.000692 -0.000902 0.000553 0.001723 0Rh 2dyz -0.000082 -0.000843 0.000025 -0.000309 0.000638 -0.000135 0Rh 2dx2y2 -0.000313 0.000748 0.000303 0.000728 0.000887 0.000338 0Rh 2dxy -0.000314 0.000684 0.000106 0.000053 -0.000164 0.000131 0Rh 3dz2 -0.016841 -0.012621 -0.004527 0.018453 -0.010379 -0.007766 0Rh 3dxz 0.025003 -0.008645 0.000121 -0.048050 0.011875 0.020453 0Rh 3dyz -0.008442 -0.008483 -0.003151 -0.000014 0.023701 0.002576 0Rh 3dx2y2 -0.002564 -0.014270 0.000117 -0.000226 0.010222 0.008576 0Rh 3dxy 0.029383 0.035035 0.016667 -0.019607 -0.032864 -0.001465 0Rh 4dz2 0.032687 0.030307 0.006201 -0.031808 0.025931 0.007139 0Rh 4dxz -0.046568 0.019165 0.002786 0.084114 -0.019521 -0.030694 0Rh 4dyz 0.015780 0.012230 0.005926 -0.001426 -0.040251 -0.006345 0Rh 4dx2y2 0.003795 0.028446 0.001524 0.003349 -0.014581 -0.014696 0Rh 4dxy -0.056878 -0.061496 -0.031223 0.036163 0.059975 0.003166 0Rh 5dz2 -0.046259 -0.059549 -0.000177 0.023419 -0.045117 0.012140 0Rh 5dxz 0.061557 -0.033623 -0.010614 -0.078556 0.016739 0.019218 0Rh 5dyz -0.019619 -0.004116 -0.007538 0.002543 0.042313 0.017695 0Rh 5dx2y2 -0.002032 -0.029192 -0.009279 -0.008606 0.003631 0.014798 0Rh 5dxy 0.082636 0.060217 0.040696 -0.040834 -0.061600 -0.004322 0Rh 1f0 -0.000924 -0.000124 0.000534 0.006730 -0.006587 -0.004089 0Rh 1f+1 -0.001598 0.004396 0.000468 0.012480 -0.003695 0.000712 0Rh 1f-1 0.005709 0.002303 0.004822 -0.001687 -0.000957 0.010898 0Rh 1f+2 -0.002889 0.004774 -0.003227 -0.006114 0.000280 -0.009962 0Rh 1f-2 0.001332 -0.003440 0.001299 -0.001762 0.003024 0.000747 0Rh 1f+3 0.000991 0.002265 0.000438 -0.002266 -0.007991 0.005804 0Rh 1f-3 -0.000921 -0.008435 -0.000527 0.006859 0.007099 -0.000651 1Rh 1s -0.000024 0.000009 -0.000030 -0.000171 0.000131 -0.000036 1Rh 2s -0.000120 -0.000191 0.000241 0.000840 -0.000829 0.000321 1Rh 3s -0.000220 -0.000059 -0.000038 -0.000533 0.000297 -0.000027 1Rh 4s 0.000568 0.001081 -0.001419 -0.005290 0.005071 -0.001909 1Rh 5s -0.001963 -0.002901 0.003355 0.012647 -0.012604 0.004981 1Rh 6s 0.004941 0.004291 -0.002695 -0.009095 0.012027 -0.006117 1Rh 7s -0.008446 -0.004886 -0.001104 -0.014945 -0.015863 0.019069 1Rh 8s 0.028578 -0.062700 0.011190 0.032011 0.037264 -0.002214 1Rh 1pz -0.023881 -0.000666 0.012703 -0.030615 0.016183 0.023628 1Rh 1px 0.002256 -0.003343 0.007172 -0.002790 0.007847 0.004371 1Rh 1py -0.021102 0.018757 -0.008643 -0.014744 -0.021721 0.005212 1Rh 2pz 0.097791 0.002742 -0.051863 0.125443 -0.066224 -0.096337 1Rh 2px -0.009235 0.013748 -0.029311 0.011464 -0.032142 -0.017774 1Rh 2py 0.086323 -0.076841 0.035425 0.060347 0.088992 -0.021309 1Rh 3pz -0.293843 -0.008502 0.152908 -0.378493 0.198102 0.281515 1Rh 3px 0.027680 -0.042509 0.086911 -0.035398 0.096852 0.051150 1Rh 3py -0.257802 0.231617 -0.107012 -0.180880 -0.268324 0.063340 1Rh 4pz 0.340321 0.010530 -0.168774 0.443041 -0.226562 -0.303173 1Rh 4px -0.031905 0.053003 -0.097029 0.044786 -0.113277 -0.053023 1Rh 4py 0.294539 -0.270883 0.125599 0.208458 0.313584 -0.071463 1Rh 5pz -0.160620 -0.006679 0.064594 -0.215395 0.099367 0.101781 1Rh 5px 0.015558 -0.031096 0.039021 -0.030280 0.055131 0.014264 1Rh 5py -0.133563 0.132333 -0.062696 -0.095585 -0.151059 0.031051 1Rh 6pz 0.215359 0.021503 -0.054866 0.275271 -0.084626 -0.080398 1Rh 6px -0.011537 0.015667 -0.045210 0.069891 -0.062103 -0.007687 1Rh 6py 0.206334 -0.166046 0.092339 0.087885 0.158875 -0.059844 1Rh 1dz2 0.003460 -0.001299 0.001460 0.004394 -0.000753 0.003365 1Rh 1dxz -0.005621 -0.001384 -0.000726 -0.011320 0.003179 -0.006069 1Rh 1dyz 0.002067 -0.002791 0.000812 -0.000313 0.005920 -0.000302 1Rh 1dx2y2 0.001001 -0.002430 -0.000231 0.000689 0.003173 -0.002217 1Rh 1dxy -0.006173 0.008327 -0.003868 -0.004128 -0.007287 0.000096 1Rh 2dz2 0.000214 -0.001430 -0.000470 -0.000393 -0.001520 -0.001645 1Rh 2dxz 0.000218 -0.000585 0.000691 0.000895 -0.000581 0.001715 1Rh 2dyz -0.000104 0.000857 0.000007 0.000308 -0.000644 -0.000164 1Rh 2dx2y2 -0.000319 -0.000746 0.000276 -0.000730 -0.000906 0.000347 1Rh 2dxy -0.000310 -0.000685 0.000111 -0.000049 0.000180 0.000133 1Rh 3dz2 -0.016915 0.012587 -0.004561 -0.018390 0.010443 -0.007963 1Rh 3dxz 0.024920 0.009095 0.000193 0.047956 -0.011967 0.020184 1Rh 3dyz -0.009073 0.008949 -0.003761 0.000011 -0.024214 0.002229 1Rh 3dx2y2 -0.003180 0.014527 -0.000228 0.000172 -0.010428 0.008658 1Rh 3dxy 0.029869 -0.035176 0.017371 0.019211 0.032765 -0.001028 1Rh 4dz2 0.032866 -0.030261 0.006161 0.031700 -0.025954 0.007407 1Rh 4dxz -0.046431 -0.019947 0.002653 -0.083955 0.019560 -0.030222 1Rh 4dyz 0.016883 -0.013065 0.006985 0.001441 0.041231 -0.005839 1Rh 4dx2y2 0.004920 -0.028933 0.002041 -0.003268 0.014900 -0.014820 1Rh 4dxy -0.057723 0.061752 -0.032489 -0.035387 -0.059693 0.002362 1Rh 5dz2 -0.046623 0.059537 0.000038 -0.023352 0.044848 0.011970 1Rh 5dxz 0.061515 0.034437 -0.010482 0.078366 -0.016413 0.018634 1Rh 5dyz -0.021026 0.005213 -0.008758 -0.002636 -0.043771 0.017230 1Rh 5dx2y2 -0.003465 0.029906 -0.009521 0.008591 -0.003940 0.014909 1Rh 5dxy 0.083212 -0.060494 0.041907 0.039711 0.060866 -0.003510 1Rh 1f0 0.000867 -0.000067 -0.000606 0.006734 -0.006678 0.004041 1Rh 1f+1 0.001588 0.004415 -0.000480 0.012488 -0.003687 -0.000743 1Rh 1f-1 -0.005669 0.002230 -0.004867 -0.001676 -0.000884 -0.010936 1Rh 1f+2 0.002795 0.004870 0.003164 -0.006159 0.000142 0.009967 1Rh 1f-2 -0.001243 -0.003403 -0.001269 -0.001745 0.002953 -0.000709 1Rh 1f+3 -0.001025 0.002197 -0.000589 -0.002274 -0.007893 -0.005872 1Rh 1f-3 0.001120 -0.008434 0.000675 0.006854 0.007069 0.000728 2C 1s -0.000290 -0.000291 -0.000216 0.001559 -0.000335 0.000444 2C 2s -0.000072 -0.000621 -0.000059 0.003173 -0.000703 0.000421 2C 3s -0.030329 0.016675 -0.024506 -0.042544 0.022263 0.025496 2C 4s 0.135079 -0.000698 0.111019 -0.053793 -0.091479 -0.138176 2C 5s 0.020914 -0.078825 -0.003917 -0.069401 0.032755 0.032159 2C 1pz -0.004995 0.011196 -0.000616 -0.014361 0.006013 0.009601 2C 1px 0.004226 0.003638 -0.009464 -0.002980 -0.003902 -0.019320 2C 1py -0.002545 -0.004185 -0.004470 -0.012401 0.001119 0.000034 2C 2pz 0.049249 -0.003914 -0.042987 -0.123742 -0.152950 -0.079129 2C 2px -0.052080 -0.020766 0.084330 0.020963 0.021377 0.187829 2C 2py 0.015044 0.103898 0.137500 -0.081544 0.080246 -0.022097 2C 3pz 0.014749 -0.010327 -0.000037 0.012663 -0.000219 -0.020631 2C 3px 0.020697 0.003196 0.021517 -0.023698 -0.006188 0.072853 2C 3py 0.003571 -0.038239 0.005014 -0.005616 -0.001208 0.005373 2C 1dz2 -0.004783 -0.002066 0.028218 -0.016509 0.021740 0.012078 2C 1dxz 0.004433 -0.001895 0.001631 -0.008543 0.005935 -0.031203 2C 1dyz -0.001124 0.009707 -0.007368 -0.011838 -0.013458 0.010247 2C 1dx2y2 -0.004258 -0.006870 0.016123 -0.001030 0.017241 -0.002665 2C 1dxy 0.003667 0.001817 -0.016233 -0.000966 -0.010738 -0.019441 2C 2dz2 0.017869 -0.022741 0.013812 -0.030390 0.003315 -0.075944 2C 2dxz -0.021252 0.013517 0.084988 -0.073199 0.080275 0.059586 2C 2dyz 0.004995 0.027010 0.022745 0.003227 -0.021168 0.006747 2C 2dx2y2 -0.015270 -0.018694 0.073576 0.022519 0.082263 0.045009 2C 2dxy -0.011888 -0.019898 -0.054897 -0.007027 -0.100727 0.095423 2C 1f0 0.001532 -0.030387 0.056119 -0.004221 0.056381 -0.024738 2C 1f+1 -0.004284 -0.012836 0.006531 0.008613 0.006057 0.005282 2C 1f-1 0.005651 -0.001033 0.002739 0.002689 -0.002667 -0.009542 2C 1f+2 -0.014843 -0.006844 0.020465 -0.035110 0.033363 0.005328 2C 1f-2 0.004802 -0.012539 0.022341 0.000062 0.011452 0.002298 2C 1f+3 -0.009709 0.003788 0.011601 -0.017580 0.006002 0.014944 2C 1f-3 0.000167 0.004166 -0.015863 0.020445 -0.021493 0.002873 3C 1s 0.000254 0.001038 -0.000266 -0.000547 -0.001299 0.000558 3C 2s 0.000463 0.001699 -0.000265 -0.000737 -0.002678 0.000572 3C 3s -0.014336 0.013754 -0.019816 -0.010220 0.048439 0.025766 3C 4s 0.036525 -0.200926 0.103140 0.046837 -0.011386 -0.160211 3C 5s -0.005487 -0.023547 0.035896 0.035795 -0.009914 -0.065867 3C 1pz -0.005499 0.000783 0.002215 0.005898 0.008625 0.003081 3C 1px -0.012251 0.004221 -0.007778 0.003977 0.010899 -0.011431 3C 1py -0.002510 0.006626 0.003718 0.008487 -0.014077 -0.007097 3C 2pz 0.092454 -0.171949 0.035631 -0.035535 0.075237 -0.070347 3C 2px 0.206960 -0.159403 0.109645 -0.049944 -0.053494 0.109695 3C 2py 0.093608 0.046786 0.000685 0.005667 -0.073414 0.107493 3C 3pz -0.018000 0.006362 0.012670 0.030974 -0.010953 -0.026996 3C 3px -0.031900 0.017522 0.012902 0.000032 -0.000905 0.033295 3C 3py -0.024718 0.018790 -0.004546 0.007007 0.023505 0.025721 3C 1dz2 0.000165 0.009188 -0.010546 -0.015160 -0.006629 0.011743 3C 1dxz -0.010534 0.005149 -0.015993 -0.008116 0.005035 -0.008064 3C 1dyz -0.000222 0.002105 0.008864 0.019857 -0.004378 -0.011231 3C 1dx2y2 -0.012956 0.020255 -0.020558 -0.008794 -0.006248 -0.002144 3C 1dxy 0.006633 0.005394 0.003019 -0.004253 -0.012485 0.019391 3C 2dz2 0.044407 -0.030763 -0.008371 -0.023498 -0.009487 0.002867 3C 2dxz -0.122091 0.068837 -0.038944 -0.023331 0.039602 -0.025035 3C 2dyz -0.002091 -0.002438 0.031356 0.054303 0.030277 0.009829 3C 2dx2y2 -0.041081 0.081181 -0.035981 -0.050854 -0.043930 0.070055 3C 2dxy -0.066213 0.082348 -0.067195 0.004822 -0.007066 -0.046459 3C 1f0 -0.022728 0.019585 -0.017029 -0.010490 -0.015470 0.006469 3C 1f+1 0.012721 0.013482 -0.014774 -0.019571 -0.016010 0.007636 3C 1f-1 0.017691 -0.026633 0.051040 0.063150 0.007829 -0.020137 3C 1f+2 0.004366 0.005087 -0.003252 -0.010294 0.016003 0.012693 3C 1f-2 -0.009124 -0.010589 0.006274 0.010710 0.018659 -0.002707 3C 1f+3 -0.027064 0.009394 0.003350 0.005372 -0.010024 -0.002459 3C 1f-3 -0.015905 0.011459 -0.015193 -0.020845 0.013476 0.009336 4C 1s 0.000031 -0.000682 0.000264 0.001931 -0.000105 0.000443 4C 2s -0.000167 -0.001639 0.000220 0.004544 0.000147 0.000775 4C 3s 0.026301 0.010123 0.032378 -0.041138 -0.051685 0.000700 4C 4s -0.126672 0.009299 -0.162762 0.001041 0.250906 -0.014568 4C 5s -0.027717 -0.005346 -0.032482 0.164232 0.020722 0.004975 4C 1pz -0.003316 -0.015578 0.004724 0.011853 0.008225 -0.001554 4C 1px 0.002967 -0.003910 0.007282 0.004621 0.004513 0.006598 4C 1py 0.002636 0.009462 -0.012151 0.017235 -0.012503 0.005550 4C 2pz 0.101998 0.083462 -0.010012 -0.115232 -0.068210 -0.154970 4C 2px -0.217199 0.010643 0.043088 -0.069961 0.074277 0.246256 4C 2py -0.029636 -0.008068 0.058171 -0.125890 0.045132 -0.008885 4C 3pz 0.050385 -0.064035 0.016180 0.040882 0.008303 0.057870 4C 3px -0.048300 -0.025981 -0.041418 0.037530 0.001906 -0.090406 4C 3py 0.022124 -0.054041 -0.007415 0.035161 0.017627 0.008676 4C 1dz2 -0.002656 -0.002499 0.025175 -0.022112 0.022598 -0.004333 4C 1dxz -0.000325 -0.008614 0.008252 -0.015328 0.005432 -0.010857 4C 1dyz -0.000013 0.009890 -0.016843 -0.022060 -0.015839 0.001618 4C 1dx2y2 -0.004652 -0.017721 0.020083 0.003978 0.021533 -0.007550 4C 1dxy -0.001357 0.014749 -0.009362 -0.002667 0.006173 -0.003733 4C 2dz2 0.052737 -0.065103 -0.028226 0.091185 0.007566 -0.126374 4C 2dxz -0.111459 -0.039808 0.084478 0.015824 0.049350 0.278747 4C 2dyz -0.006538 -0.011406 -0.040326 0.123240 0.002685 0.010766 4C 2dx2y2 -0.011000 -0.002866 -0.000800 -0.090663 0.029411 -0.010400 4C 2dxy -0.095998 -0.009337 0.061953 -0.022782 0.088962 0.171772 4C 1f0 -0.003219 0.012499 -0.033073 0.020898 -0.046773 0.008788 4C 1f+1 0.009784 0.007532 0.003190 0.027091 -0.003077 0.002543 4C 1f-1 0.015218 0.016731 -0.004882 -0.013812 -0.007394 -0.012090 4C 1f+2 0.029332 0.036113 -0.043103 0.007098 -0.022011 -0.017491 4C 1f-2 -0.008696 0.007465 -0.006397 -0.007242 -0.020396 0.033200 4C 1f+3 0.028587 -0.022461 0.016154 -0.013195 0.005628 -0.024919 4C 1f-3 0.031229 -0.010551 -0.004972 0.022780 -0.022287 -0.025202 5C 1s 0.000538 0.000648 0.000038 -0.000061 -0.001899 0.000376 5C 2s 0.000803 0.001969 -0.000037 0.000245 -0.004137 0.000991 5C 3s 0.050111 -0.068222 0.013439 -0.041043 0.004448 -0.023708 5C 4s -0.280275 0.237146 -0.069118 0.183407 0.143374 0.091033 5C 5s -0.081817 0.096102 -0.028826 0.046211 -0.072879 0.021126 5C 1pz 0.002785 0.011247 -0.015984 -0.021538 -0.009673 0.008312 5C 1px 0.008003 0.001014 0.000979 -0.004766 -0.007039 0.008083 5C 1py 0.003405 -0.011105 -0.005601 -0.013865 0.012165 0.001778 5C 2pz -0.043990 -0.079290 0.019528 0.067507 0.102394 -0.104019 5C 2px 0.014128 -0.067815 0.161789 0.077658 -0.012080 0.066278 5C 2py 0.038714 0.118304 0.000480 0.020289 -0.120785 0.089262 5C 3pz -0.019027 0.012358 0.016009 0.026671 -0.051325 -0.020557 5C 3px -0.002389 -0.018808 -0.001744 0.025239 -0.011143 -0.085353 5C 3py 0.041967 -0.027976 -0.022986 -0.023464 0.078479 0.046033 5C 1dz2 0.012232 0.011485 -0.021561 -0.027705 -0.001897 0.014161 5C 1dxz -0.009782 -0.008049 -0.014901 -0.016665 -0.002541 -0.001893 5C 1dyz 0.001374 0.002759 0.015030 0.018898 -0.018614 -0.010020 5C 1dx2y2 -0.012544 0.024016 -0.018572 -0.007483 -0.013892 0.002589 5C 1dxy -0.004555 0.001611 -0.002591 -0.005430 -0.019010 0.002314 5C 2dz2 0.004522 0.008951 -0.062716 -0.077073 -0.013696 -0.037664 5C 2dxz 0.079294 0.002812 0.044320 -0.040758 -0.081921 0.113897 5C 2dyz 0.036236 -0.093393 0.070016 0.001895 0.044853 0.022426 5C 2dx2y2 -0.001571 -0.076587 0.056563 -0.023197 0.071552 0.049033 5C 2dxy -0.029076 -0.048889 -0.073484 0.000322 0.093839 -0.129556 5C 1f0 0.004088 0.004304 0.007946 -0.006266 -0.032173 0.015452 5C 1f+1 0.006487 0.017987 -0.012745 -0.001853 -0.007353 -0.014590 5C 1f-1 0.009726 0.024312 -0.044944 -0.061350 -0.007712 0.030026 5C 1f+2 -0.003511 0.011349 0.002966 0.020151 -0.002749 -0.002885 5C 1f-2 -0.016885 0.005671 -0.036024 -0.020131 0.008563 -0.002375 5C 1f+3 0.000837 -0.014983 -0.019525 -0.027013 -0.024990 0.003404 5C 1f-3 -0.015973 -0.001715 0.003784 0.010102 0.021670 0.002597 6C 1s 0.000569 -0.000639 0.000069 0.000056 0.001889 0.000398 6C 2s 0.000881 -0.001953 0.000040 -0.000254 0.004112 0.001038 6C 3s 0.048861 0.068148 0.012046 0.041168 -0.003267 -0.023561 6C 4s -0.277272 -0.237419 -0.065318 -0.183356 -0.148268 0.088620 6C 5s -0.080764 -0.095727 -0.026948 -0.045773 0.072114 0.020976 6C 1pz -0.003219 0.011108 0.015602 -0.021588 -0.009807 -0.008494 6C 1px -0.008205 0.001020 -0.001167 -0.004698 -0.006892 -0.008065 6C 1py -0.003299 -0.011056 0.005815 -0.013930 0.011919 -0.001631 6C 2pz 0.047975 -0.078049 -0.015446 0.066375 0.099660 0.105958 6C 2px -0.013683 -0.067261 -0.161567 0.079375 -0.007514 -0.068074 6C 2py -0.043273 0.116814 -0.005274 0.021821 -0.117045 -0.090997 6C 3pz 0.018479 0.012025 -0.016007 0.025495 -0.050967 0.019969 6C 3px 0.002679 -0.018538 0.002381 0.024233 -0.012610 0.085472 6C 3py -0.041531 -0.027138 0.023581 -0.021468 0.078296 -0.045093 6C 1dz2 0.012431 -0.011506 -0.021402 0.027748 0.002028 0.014175 6C 1dxz -0.010244 0.008011 -0.014883 0.016802 0.002744 -0.001791 6C 1dyz 0.001680 -0.002614 0.015154 -0.018907 0.018595 -0.009752 6C 1dx2y2 -0.012431 -0.024137 -0.018217 0.007616 0.014163 0.002846 6C 1dxy -0.004706 -0.001745 -0.002337 0.005445 0.019011 0.002315 6C 2dz2 0.004225 -0.008848 -0.062868 0.077780 0.016169 -0.037132 6C 2dxz 0.082607 -0.001910 0.046773 0.039433 0.078930 0.114768 6C 2dyz 0.034123 0.092879 0.068256 -0.002543 -0.046155 0.022054 6C 2dx2y2 -0.002672 0.076226 0.055082 0.022912 -0.073398 0.048141 6C 2dxy -0.030564 0.048630 -0.076203 0.001422 -0.088624 -0.130929 6C 1f0 -0.004373 0.004362 -0.008552 -0.006018 -0.031620 -0.015830 6C 1f+1 -0.006636 0.017970 0.012790 -0.002032 -0.007899 0.014501 6C 1f-1 -0.010284 0.024263 0.044386 -0.061457 -0.007975 -0.030291 6C 1f+2 0.003344 0.011138 -0.003016 0.020099 -0.002607 0.002920 6C 1f-2 0.016921 0.005602 0.035911 -0.020524 0.007832 0.002582 6C 1f+3 -0.000628 -0.015148 0.019322 -0.027277 -0.025607 -0.003535 6C 1f-3 0.016325 -0.001710 -0.003675 0.010135 0.022109 -0.002251 7C 1s 0.000006 0.000678 0.000254 -0.001934 0.000112 0.000457 7C 2s -0.000218 0.001639 0.000199 -0.004534 -0.000137 0.000788 7C 3s 0.025668 -0.010841 0.032423 0.039261 0.052234 0.002654 7C 4s -0.121378 -0.006011 -0.161868 0.008049 -0.253733 -0.024353 7C 5s -0.028782 0.007466 -0.032803 -0.161184 -0.023130 0.003700 7C 1pz 0.003632 -0.015589 -0.004677 0.011716 0.008342 0.001645 7C 1px -0.002907 -0.004009 -0.007038 0.004639 0.004380 -0.006568 7C 1py -0.002920 0.009531 0.011921 0.017202 -0.012544 -0.005640 7C 2pz -0.103794 0.084051 0.012940 -0.112284 -0.072258 0.152374 7C 2px 0.218819 0.011064 -0.043234 -0.070642 0.078906 -0.243446 7C 2py 0.030136 -0.007872 -0.055609 -0.124499 0.044474 0.009412 7C 3pz -0.051593 -0.061903 -0.013737 0.043381 0.005851 -0.057514 7C 3px 0.047808 -0.025998 0.042057 0.037503 0.000828 0.089880 7C 3py -0.022969 -0.052806 0.009350 0.036570 0.015555 -0.008763 7C 1dz2 -0.002745 0.002663 0.025115 0.021809 -0.022869 -0.004601 7C 1dxz -0.000260 0.008503 0.008463 0.015192 -0.005685 -0.011019 7C 1dyz 0.000372 -0.009810 -0.016180 0.022388 0.015725 0.001586 7C 1dx2y2 -0.004472 0.017773 0.019786 -0.004136 -0.021858 -0.008040 7C 1dxy -0.001774 -0.014572 -0.009220 0.002852 -0.006416 -0.003712 7C 2dz2 0.052057 0.065375 -0.028126 -0.090437 -0.006258 -0.125374 7C 2dxz -0.113866 0.040263 0.084677 -0.015143 -0.052715 0.277000 7C 2dyz -0.006775 0.011928 -0.039788 -0.121766 -0.003267 0.009899 7C 2dx2y2 -0.011226 0.003311 -0.001943 0.090905 -0.028934 -0.011571 7C 2dxy -0.094881 0.009629 0.061549 0.023604 -0.091561 0.168914 7C 1f0 0.002893 0.012785 0.032466 0.020805 -0.046954 -0.009330 7C 1f+1 -0.009469 0.007662 -0.002998 0.027433 -0.003218 -0.002723 7C 1f-1 -0.015421 0.017050 0.005209 -0.013396 -0.008067 0.011650 7C 1f+2 -0.030135 0.035953 0.042563 0.006783 -0.022499 0.017327 7C 1f-2 0.008468 0.007632 0.006099 -0.007188 -0.020286 -0.033380 7C 1f+3 -0.028694 -0.022464 -0.015935 -0.012806 0.005468 0.024897 7C 1f-3 -0.030990 -0.010600 0.004935 0.023048 -0.022935 0.024614 8C 1s 0.000279 -0.001029 -0.000226 0.000530 0.001284 0.000575 8C 2s 0.000499 -0.001686 -0.000208 0.000715 0.002666 0.000605 8C 3s -0.013682 -0.013505 -0.019025 0.009773 -0.049260 0.025235 8C 4s 0.030068 0.198892 0.095389 -0.044021 0.016368 -0.160245 8C 5s -0.005384 0.024011 0.035462 -0.033835 0.009266 -0.065136 8C 1pz 0.005834 0.000923 -0.002137 0.005977 0.008909 -0.002931 8C 1px 0.012342 0.004208 0.007922 0.003847 0.010577 0.011467 8C 1py 0.002733 0.006733 -0.003646 0.008420 -0.014120 0.006908 8C 2pz -0.096200 -0.174479 -0.033997 -0.035932 0.070952 0.070642 8C 2px -0.207219 -0.158411 -0.109840 -0.048023 -0.051114 -0.108741 8C 2py -0.101696 0.044244 -0.005651 0.006874 -0.071222 -0.107908 8C 3pz 0.019206 0.006727 -0.012398 0.030555 -0.010851 0.026786 8C 3px 0.031642 0.016788 -0.012881 -0.000264 0.000095 -0.033473 8C 3py 0.025137 0.018855 0.004337 0.007535 0.024039 -0.025445 8C 1dz2 0.000059 -0.009312 -0.010445 0.015153 0.006465 0.011754 8C 1dxz -0.010806 -0.005359 -0.016236 0.008400 -0.004541 -0.007942 8C 1dyz 0.000138 -0.001978 0.008870 -0.019822 0.004445 -0.011155 8C 1dx2y2 -0.013009 -0.020350 -0.020387 0.008999 0.006487 -0.001968 8C 1dxy 0.006687 -0.005432 0.003254 0.004173 0.011945 0.019471 8C 2dz2 0.045241 0.031003 -0.008058 0.023342 0.009896 0.002217 8C 2dxz -0.125362 -0.070174 -0.040748 0.024814 -0.038984 -0.024372 8C 2dyz -0.000590 0.002962 0.031448 -0.054482 -0.031373 0.009214 8C 2dx2y2 -0.040864 -0.080813 -0.034133 0.050669 0.041924 0.070865 8C 2dxy -0.067399 -0.083485 -0.067270 -0.003669 0.008911 -0.045535 8C 1f0 0.023037 0.019743 0.016810 -0.010688 -0.015542 -0.006672 8C 1f+1 -0.012984 0.013419 0.014464 -0.019662 -0.015827 -0.007840 8C 1f-1 -0.018148 -0.027044 -0.050670 0.063386 0.008279 0.020358 8C 1f+2 -0.004776 0.004785 0.002777 -0.009798 0.016382 -0.012507 8C 1f-2 0.009275 -0.010561 -0.006137 0.010628 0.018955 0.002779 8C 1f+3 0.027545 0.009499 -0.003161 0.005057 -0.009940 0.002146 8C 1f-3 0.016166 0.011572 0.015418 -0.021192 0.013583 -0.009405 9C 1s -0.000311 0.000303 -0.000201 -0.001548 0.000316 0.000455 9C 2s -0.000109 0.000635 -0.000059 -0.003171 0.000688 0.000453 9C 3s -0.029676 -0.015849 -0.022531 0.044158 -0.023971 0.024151 9C 4s 0.134227 -0.002910 0.103016 0.046077 0.098914 -0.132960 9C 5s 0.022701 0.075024 -0.006070 0.066186 -0.028110 0.031233 9C 1pz 0.004541 0.011048 0.000200 -0.014521 0.006443 -0.009230 9C 1px -0.004375 0.003770 0.009203 -0.003010 -0.003823 0.019294 9C 1py 0.002754 -0.004350 0.004286 -0.012779 0.001242 0.000029 9C 2pz -0.044880 -0.003750 0.044129 -0.122808 -0.156116 0.073803 9C 2px 0.053417 -0.023110 -0.079988 0.021518 0.018120 -0.188448 9C 2py -0.020832 0.105314 -0.136316 -0.075711 0.081598 0.023950 9C 3pz -0.015425 -0.009182 0.001246 0.014011 -0.001800 0.020465 9C 3px -0.021029 0.004046 -0.022491 -0.023236 -0.005033 -0.072802 9C 3py -0.003078 -0.037919 -0.004367 -0.005444 -0.002389 -0.005841 9C 1dz2 -0.004580 0.002265 0.028050 0.015999 -0.022249 0.011644 9C 1dxz 0.004615 0.001738 0.001655 0.008278 -0.006068 -0.031336 9C 1dyz -0.001155 -0.009557 -0.006760 0.012086 0.013101 0.010393 9C 1dx2y2 -0.004150 0.006914 0.016249 0.000800 -0.017801 -0.003079 9C 1dxy 0.003429 -0.001867 -0.015897 0.001200 0.010770 -0.019050 9C 2dz2 0.017288 0.023079 0.012562 0.028533 -0.002073 -0.074747 9C 2dxz -0.019071 -0.013973 0.084448 0.071732 -0.082681 0.056278 9C 2dyz 0.005289 -0.027247 0.023026 -0.003549 0.020506 0.007021 9C 2dx2y2 -0.013899 0.018852 0.074489 -0.023152 -0.085567 0.042352 9C 2dxy -0.016035 0.020509 -0.052254 0.008626 0.099830 0.099315 9C 1f0 -0.001909 -0.030450 -0.055212 -0.003233 0.056806 0.025587 9C 1f+1 0.005019 -0.012839 -0.006400 0.008771 0.006378 -0.005252 9C 1f-1 -0.005220 -0.001141 -0.002545 0.002794 -0.002846 0.009072 9C 1f+2 0.015181 -0.006884 -0.020468 -0.035288 0.034097 -0.005075 9C 1f-2 -0.004842 -0.012031 -0.021764 0.000413 0.011718 -0.002046 9C 1f+3 0.009026 0.003592 -0.012426 -0.017550 0.007267 -0.014233 9C 1f-3 0.000284 0.004363 0.015573 0.019659 -0.021597 -0.003541 10H 1s -0.005234 0.007867 -0.008514 -0.031113 -0.002112 -0.000926 10H 2s 0.004802 0.029401 -0.059971 -0.083598 -0.037529 -0.062457 10H 3s -0.007419 -0.003068 0.010030 0.045785 0.008675 -0.014784 10H 1pz 0.004863 0.001695 -0.025133 -0.011323 -0.018567 -0.027174 10H 1px 0.002842 -0.012994 0.011670 0.033202 0.005401 0.005462 10H 1py 0.002358 0.003865 0.001947 -0.003887 0.009410 -0.020080 11H 1s -0.005076 0.003679 -0.030108 0.008147 -0.031732 0.014266 11H 2s -0.024690 -0.026285 -0.109860 0.027088 -0.149359 0.090267 11H 3s 0.016257 0.034188 0.028697 0.006549 0.021135 -0.005893 11H 1pz -0.009560 -0.004532 -0.032960 -0.002408 -0.041193 0.031736 11H 1px -0.006897 -0.000454 -0.020894 0.008762 -0.026487 0.021894 11H 1py 0.002729 -0.001390 0.021433 -0.001443 0.022853 -0.003566 12H 1s -0.008599 -0.000291 0.032953 -0.012628 0.034252 0.001508 12H 2s -0.035746 0.056853 0.141170 -0.014898 0.163437 0.041888 12H 3s 0.007057 -0.030902 -0.027355 0.002123 -0.047891 0.003680 12H 1pz -0.003821 0.001138 -0.000481 0.004797 0.002985 0.010438 12H 1px -0.007778 0.003981 0.020916 0.002500 0.020056 0.012599 12H 1py -0.016468 0.018265 0.048366 -0.016375 0.055237 0.019283 13H 1s -0.022530 -0.002804 -0.000494 0.004018 0.028975 -0.009348 13H 2s -0.107339 0.034115 -0.040731 0.000627 0.099319 -0.066960 13H 3s 0.038926 -0.014338 0.008073 0.002686 -0.035201 0.001944 13H 1pz -0.009964 -0.004602 -0.005914 0.001816 0.026521 -0.017047 13H 1px 0.028197 -0.005070 0.008444 0.005440 -0.025628 0.006890 13H 1py 0.027739 -0.019021 0.015313 -0.002699 -0.012627 0.020943 14H 1s 0.043556 -0.030195 0.020553 0.008059 0.007339 0.004156 14H 2s 0.211607 -0.164136 0.081478 -0.025414 -0.011670 0.072332 14H 3s -0.082134 0.060112 -0.014385 0.014303 0.006019 -0.002945 14H 1pz 0.033104 -0.032720 0.018460 -0.003112 0.007031 0.013300 14H 1px 0.063603 -0.045468 0.025972 -0.008160 -0.002381 0.023498 14H 1py 0.004753 0.000303 -0.005045 0.001603 0.010545 -0.010915 15H 1s -0.019469 0.023066 -0.022638 -0.022741 -0.008389 0.010909 15H 2s -0.102902 0.123862 -0.078139 -0.071894 -0.016746 0.034425 15H 3s 0.043389 -0.035034 0.003956 -0.020601 -0.008203 0.004414 15H 1pz 0.019574 -0.019688 0.017748 0.018881 0.005972 -0.007737 15H 1px 0.012684 -0.000222 -0.002872 -0.008240 -0.006768 0.009480 15H 1py 0.033528 -0.038905 0.028032 0.025638 -0.003460 -0.013075 16H 1s -0.002356 -0.001403 0.001551 0.005579 -0.003412 0.000034 16H 2s -0.018896 0.000331 0.003896 0.002155 0.006587 -0.003718 16H 3s -0.020588 -0.008957 0.002023 0.023548 -0.002236 0.010390 16H 1pz -0.008162 -0.003038 0.002012 0.005499 0.002788 -0.001910 16H 1px 0.018642 0.001710 0.002139 -0.013686 0.002238 -0.003243 16H 1py -0.000765 0.003555 0.002617 0.003514 -0.008845 0.001973 17H 1s 0.005579 -0.004577 -0.001697 -0.008017 0.004091 -0.000110 17H 2s 0.005959 -0.000069 -0.009892 -0.005094 0.019953 -0.010969 17H 3s 0.001189 -0.013115 -0.008846 -0.007512 0.018552 -0.003708 17H 1pz -0.007772 0.002445 -0.000478 0.007018 -0.007708 0.006286 17H 1px 0.001875 0.006110 0.008198 0.003431 -0.014332 0.000224 17H 1py 0.006556 0.001117 -0.001067 -0.006307 -0.001451 -0.000843 18H 1s 0.005761 0.004591 -0.001652 0.008138 -0.003880 -0.000111 18H 2s 0.006484 0.000466 -0.010204 0.005525 -0.019724 -0.011931 18H 3s 0.001363 0.013163 -0.009058 0.008135 -0.018133 -0.004037 18H 1pz 0.008007 0.002565 0.000406 0.007102 -0.007653 -0.006626 18H 1px -0.001572 0.006181 -0.008391 0.003955 -0.014135 -0.000503 18H 1py -0.006607 0.001271 0.000914 -0.006246 -0.001937 0.000724 19H 1s -0.002533 0.001373 0.001535 -0.005738 0.003128 0.000031 19H 2s -0.019069 0.000043 0.003338 -0.002044 -0.006633 -0.004114 19H 3s -0.020882 0.009068 0.001751 -0.023366 0.001550 0.010347 19H 1pz 0.008316 -0.003321 -0.001721 0.005409 0.003260 0.002139 19H 1px -0.018787 0.001759 -0.002322 -0.013473 0.002131 0.003381 19H 1py 0.000828 0.003557 -0.002733 0.003598 -0.008681 -0.001969 20H 1s -0.020421 -0.023456 -0.022441 0.022835 0.008197 0.011106 20H 2s -0.107600 -0.126128 -0.077659 0.071764 0.015298 0.035013 20H 3s 0.045160 0.035824 0.004176 0.020475 0.009000 0.004412 20H 1pz -0.020712 -0.020128 -0.017663 0.018888 0.005739 0.007825 20H 1px -0.012391 0.000242 0.002847 -0.008291 -0.006637 -0.009596 20H 1py -0.034791 -0.039480 -0.027782 0.025538 -0.003945 0.013191 21H 1s 0.044399 0.030428 0.020791 -0.008571 -0.007419 0.003868 21H 2s 0.216604 0.165932 0.083495 0.022924 0.010797 0.070925 21H 3s -0.083623 -0.060306 -0.014866 -0.013838 -0.006163 -0.002700 21H 1pz -0.034580 -0.033519 -0.018957 -0.002678 0.007292 -0.013066 21H 1px -0.064632 -0.045702 -0.026527 -0.007269 -0.002003 -0.023002 21H 1py -0.005017 0.000216 0.005127 0.001549 0.010081 0.010843 22H 1s -0.022556 0.002907 -0.000884 -0.003815 -0.028916 -0.009441 22H 2s -0.107260 -0.033040 -0.041674 0.000087 -0.097335 -0.066836 22H 3s 0.038549 0.013682 0.008265 -0.002906 0.035038 0.001889 22H 1pz 0.009272 -0.005048 0.006008 0.001760 0.025718 0.017001 22H 1px -0.028381 -0.004874 -0.008657 0.005541 -0.025623 -0.006954 22H 1py -0.028135 -0.018983 -0.015569 -0.002398 -0.012194 -0.020851 23H 1s -0.007633 0.000461 0.032881 0.011812 -0.034881 0.000565 23H 2s -0.030064 -0.056216 0.140762 0.012039 -0.167100 0.037037 23H 3s 0.004991 0.031395 -0.026756 -0.001019 0.048072 0.005035 23H 1pz 0.003924 0.001130 0.000846 0.004456 0.002665 -0.010249 23H 1px 0.007056 0.003519 -0.020140 0.002997 0.019706 -0.011846 23H 1py 0.014749 0.018050 -0.048771 -0.015483 0.057065 -0.017604 24H 1s -0.006105 -0.003501 -0.029782 -0.007193 0.032209 0.015083 24H 2s -0.030200 0.028817 -0.108057 -0.022907 0.150925 0.094999 24H 3s 0.018083 -0.034794 0.029031 -0.007585 -0.022616 -0.006451 24H 1pz 0.010871 -0.005189 0.031937 -0.003626 -0.041132 -0.032863 24H 1px 0.007978 -0.001072 0.021038 0.007921 -0.027426 -0.023130 24H 1py -0.003440 -0.001248 -0.020811 -0.000570 0.022566 0.003746 25H 1s -0.005204 -0.007994 -0.007903 0.031342 0.001662 -0.001002 25H 2s 0.004627 -0.029741 -0.056732 0.084379 0.034630 -0.062480 25H 3s -0.007598 0.003721 0.008541 -0.045744 -0.007585 -0.014637 25H 1pz -0.004416 0.001897 0.024567 -0.011889 -0.018307 0.026895 25H 1px -0.002706 -0.012969 -0.010431 0.033403 0.004264 -0.005576 25H 1py -0.002979 0.003880 -0.002132 -0.003213 0.009780 0.020445 26O 1s 0.000782 0.000417 -0.000386 -0.001599 -0.000087 -0.001532 26O 2s 0.003533 0.001332 -0.001455 -0.004976 -0.000818 -0.006010 26O 3s -0.055609 -0.008500 0.017500 0.032167 0.021400 0.082038 26O 4s 0.210965 -0.003716 -0.073571 0.004511 -0.095621 -0.310237 26O 5s 0.006603 0.003752 0.058702 0.164171 -0.108545 0.049696 26O 1pz -0.001737 -0.006528 0.005517 0.003366 0.000797 0.017003 26O 1px -0.004753 -0.002831 -0.002971 -0.001269 -0.005097 -0.007602 26O 1py -0.001445 0.005171 0.005034 0.005711 -0.004796 0.010379 26O 2pz -0.002984 0.018979 -0.017561 -0.024678 0.002899 -0.062964 26O 2px -0.073111 0.016641 0.028747 -0.049768 0.069424 0.121503 26O 2py -0.031631 0.000311 -0.021648 -0.041973 0.024874 0.007788 26O 3pz -0.034030 -0.024547 -0.009084 0.027400 0.007551 0.009940 26O 3px -0.082289 -0.024771 -0.016971 -0.018421 0.059613 0.039176 26O 3py -0.039789 0.037377 0.012050 0.036970 -0.006386 0.023725 26O 1dz2 -0.002864 -0.018760 -0.003012 0.001981 -0.016295 0.013507 26O 1dxz 0.003711 -0.011610 0.004453 -0.002590 -0.002648 -0.001963 26O 1dyz -0.001757 0.005218 0.012821 0.003267 0.011957 0.009977 26O 1dx2y2 -0.001061 -0.013613 0.008016 -0.015823 -0.004388 0.010314 26O 1dxy 0.001057 0.008051 -0.010359 -0.004455 -0.006940 0.011814 26O 2dz2 -0.011824 0.006191 -0.001769 -0.011548 0.009320 0.015773 26O 2dxz 0.013342 0.004002 0.002752 0.002973 -0.004656 0.017674 26O 2dyz 0.011689 0.004768 0.003225 -0.007696 0.000594 0.004230 26O 2dx2y2 0.016593 0.002677 -0.013262 0.011053 -0.025656 -0.023022 26O 2dxy 0.025035 -0.006477 0.010964 0.005305 -0.004984 -0.015532 26O 1f0 -0.039421 -0.314653 0.136319 -0.125173 0.063944 -0.021071 26O 1f+1 0.043872 0.081848 -0.013115 -0.026853 0.100951 -0.175973 26O 1f-1 -0.113035 -0.031247 0.108732 0.157054 0.032505 0.295497 26O 1f+2 -0.038588 -0.126599 0.092369 -0.076945 0.063979 0.068997 26O 1f-2 -0.017483 -0.185818 0.014842 -0.067205 -0.060571 0.000547 26O 1f+3 -0.042269 -0.065351 0.079064 0.007675 0.032448 0.106614 26O 1f-3 0.013871 -0.025751 -0.062123 -0.029230 -0.103963 0.009839 27O 1s -0.000015 -0.000969 -0.000704 -0.000557 0.001113 -0.000678 27O 2s 0.000043 -0.003263 -0.002792 -0.002098 0.003636 -0.002670 27O 3s -0.004113 0.029842 0.038987 0.027262 -0.024925 0.036780 27O 4s 0.000318 -0.041199 -0.150304 -0.074679 0.014071 -0.144108 27O 5s 0.131494 0.083747 0.012374 -0.059189 -0.098975 0.054896 27O 1pz 0.012666 -0.002040 -0.001245 -0.011219 -0.004246 0.004604 27O 1px 0.006342 -0.000986 -0.003157 -0.007205 0.003822 -0.003300 27O 1py 0.004305 -0.003411 -0.005911 -0.004349 0.002336 -0.009504 27O 2pz -0.042662 0.005788 -0.011345 0.021704 0.015662 -0.026178 27O 2px -0.035225 -0.003279 0.062956 0.049660 0.022308 0.054530 27O 2py -0.005032 0.016908 -0.000858 -0.006714 -0.026489 0.030778 27O 3pz 0.058929 0.007821 -0.009487 -0.053835 -0.017150 -0.008528 27O 3px -0.038846 0.004522 0.031509 0.044598 0.003548 0.009805 27O 3py 0.027131 -0.020029 -0.021152 -0.049155 -0.004635 -0.029234 27O 1dz2 0.011310 -0.018178 0.007312 0.001731 -0.015540 0.001469 27O 1dxz -0.003088 -0.005070 -0.008725 -0.013566 -0.010464 0.011729 27O 1dyz -0.011586 0.010793 -0.006021 0.009096 0.012619 -0.016209 27O 1dx2y2 -0.001184 -0.014825 -0.001432 -0.005688 0.003680 0.006168 27O 1dxy -0.003921 0.000245 -0.007980 -0.009193 -0.000735 0.002339 27O 2dz2 -0.010887 0.002906 0.010141 0.011563 0.002118 0.003890 27O 2dxz 0.006585 -0.005845 0.012290 0.010069 0.000924 0.010167 27O 2dyz 0.000273 0.006499 -0.002863 -0.003605 -0.007486 0.000796 27O 2dx2y2 0.011545 -0.004923 -0.011167 -0.009874 -0.008007 -0.013241 27O 2dxy -0.000925 -0.002073 0.012119 0.016758 0.007008 -0.009273 27O 1f0 0.035829 -0.106054 -0.175143 -0.107802 0.108297 -0.093608 27O 1f+1 -0.151906 0.150492 -0.031163 0.038897 0.091775 -0.066873 27O 1f-1 -0.435131 0.163262 0.187677 0.431110 0.171067 -0.262177 27O 1f+2 0.037474 -0.103556 -0.058882 -0.002048 0.101551 -0.077027 27O 1f-2 -0.021264 -0.014639 0.069927 0.038368 -0.020151 0.039337 27O 1f+3 0.091654 -0.082588 -0.008011 -0.064320 -0.069733 0.063354 27O 1f-3 0.068426 0.015910 -0.082535 -0.146730 -0.014323 0.073281 28O 1s -0.000607 0.000317 0.000620 -0.001880 0.000060 0.002042 28O 2s -0.002762 0.000932 0.002400 -0.006284 0.000295 0.008011 28O 3s 0.043570 -0.003118 -0.033222 0.053253 -0.003201 -0.107718 28O 4s -0.179279 -0.018193 0.124922 -0.082107 0.022704 0.403873 28O 5s 0.016299 -0.031776 0.004128 0.148070 -0.005488 -0.061946 28O 1pz 0.003800 -0.001328 0.002592 0.004580 0.007435 -0.006123 28O 1px -0.001985 -0.003343 -0.002385 0.005730 0.001764 -0.019663 28O 1py 0.000888 0.002624 -0.013385 0.007070 -0.013302 -0.010242 28O 2pz 0.038500 0.017634 -0.024495 -0.037718 -0.012151 -0.053868 28O 2px -0.055474 -0.005901 0.048605 -0.005454 0.005152 0.165471 28O 2py 0.004946 -0.002597 0.032122 -0.030469 0.031332 0.030616 28O 3pz 0.060859 -0.004530 -0.004524 0.029111 0.032126 -0.072748 28O 3px -0.030758 -0.009800 0.026508 -0.001618 0.018887 0.034153 28O 3py 0.009399 0.004094 -0.035602 0.030698 -0.038826 -0.038266 28O 1dz2 -0.001111 0.010243 0.002625 0.006008 0.015531 -0.010964 28O 1dxz 0.005873 0.006793 -0.003286 0.011075 -0.001887 -0.001702 28O 1dyz 0.007742 -0.004752 -0.011569 0.007225 -0.019484 -0.018528 28O 1dx2y2 0.001777 0.016889 -0.005587 -0.003379 0.005209 -0.003162 28O 1dxy 0.001555 -0.005891 0.003814 -0.001974 0.006687 -0.013227 28O 2dz2 -0.008911 0.003886 -0.011200 0.002454 -0.009594 -0.007090 28O 2dxz 0.022314 0.005722 -0.007053 -0.005171 0.004363 -0.030143 28O 2dyz -0.009448 -0.001520 0.002026 -0.006834 0.001637 -0.004914 28O 2dx2y2 -0.009053 -0.000378 0.011405 -0.001591 0.002552 0.030764 28O 2dxy 0.004453 0.003105 0.000878 -0.006217 -0.001298 0.006456 28O 1f0 -0.037680 -0.098144 0.173151 -0.080621 0.153435 0.031478 28O 1f+1 -0.036486 -0.050092 0.200597 -0.045398 0.233687 0.002539 28O 1f-1 0.081007 -0.040674 0.044760 0.141051 0.112890 -0.245128 28O 1f+2 -0.047459 -0.035435 0.300413 -0.079981 0.368055 -0.031046 28O 1f-2 0.093807 -0.025737 -0.035634 0.139379 0.003520 -0.261714 28O 1f+3 0.021819 -0.053933 -0.216249 0.020452 -0.333461 0.092325 28O 1f-3 -0.079820 0.091942 0.013616 -0.080651 -0.012358 0.268343 29O 1s -0.000150 -0.000157 -0.000072 -0.000018 0.000216 -0.000016 29O 2s -0.000489 -0.000403 -0.000203 0.000004 0.000567 0.000016 29O 3s 0.004369 0.001849 0.001168 -0.001244 -0.002566 -0.001485 29O 4s -0.007620 0.000945 -0.000109 0.006831 0.001405 0.004750 29O 5s 0.005582 0.002718 0.000641 -0.009389 -0.021985 0.005959 29O 1pz 0.002072 -0.000181 -0.000498 -0.004269 0.002791 0.002954 29O 1px 0.004599 -0.001657 0.000236 -0.006486 0.001895 -0.001216 29O 1py 0.001871 0.003259 0.001209 -0.001977 -0.004888 0.000263 29O 2pz -0.013253 0.001942 0.005373 0.019100 -0.012733 -0.005966 29O 2px -0.013123 0.004759 0.001428 0.019076 -0.009888 0.004817 29O 2py -0.003463 -0.009630 -0.003791 0.002645 0.016392 -0.002855 29O 3pz -0.005827 -0.004552 0.002753 -0.016400 0.004846 0.005542 29O 3px 0.005674 0.006073 0.005293 -0.005225 -0.003403 0.000934 29O 3py 0.004835 0.008958 0.001238 -0.007730 -0.002010 -0.008031 29O 1dz2 0.000959 0.002399 0.002388 0.000373 0.001764 -0.002886 29O 1dxz 0.010361 0.002947 0.000813 -0.003890 0.003207 -0.001072 29O 1dyz -0.001066 -0.001270 -0.003941 0.001871 0.000490 0.000241 29O 1dx2y2 0.002033 -0.002612 -0.002544 -0.002492 0.006247 -0.001517 29O 1dxy 0.012781 0.002138 0.003907 -0.006167 -0.000947 -0.003545 29O 2dz2 0.004849 -0.000054 -0.001023 -0.004268 0.003045 -0.001887 29O 2dxz 0.002001 0.003598 0.003760 0.002115 -0.004129 0.001316 29O 2dyz 0.007222 -0.000624 -0.003537 -0.006753 0.004737 -0.000502 29O 2dx2y2 -0.008199 -0.005751 -0.002776 0.002418 0.005150 0.000872 29O 2dxy 0.005313 -0.001730 -0.001365 -0.005592 0.004658 -0.001927 29O 1f0 0.045988 0.032990 0.014207 -0.009777 -0.029207 -0.003980 29O 1f+1 -0.040768 -0.027299 -0.013782 0.010615 0.024959 -0.003768 29O 1f-1 -0.077202 -0.045659 -0.024926 0.023377 0.032205 0.010607 29O 1f+2 -0.092411 -0.046538 -0.030585 0.038393 0.023673 0.017058 29O 1f-2 0.004066 0.017913 0.000974 0.001396 -0.017391 0.003891 29O 1f+3 -0.060614 -0.007235 -0.017439 0.024369 -0.016583 0.019511 29O 1f-3 0.105895 0.080109 0.031352 -0.027257 -0.055310 -0.005268 30O 1s 0.000518 -0.001128 0.000817 -0.000437 0.001241 0.000943 30O 2s 0.002052 -0.003794 0.003190 -0.001622 0.003607 0.003602 30O 3s -0.031498 0.036793 -0.043228 0.019732 -0.014952 -0.047233 30O 4s 0.113004 -0.068713 0.151868 -0.061008 -0.053712 0.178163 30O 5s 0.098015 0.026662 -0.018999 0.012817 -0.139015 0.010264 30O 1pz -0.009326 0.007549 -0.004910 -0.008404 -0.003552 0.004110 30O 1px -0.004734 0.005999 -0.003841 0.001521 -0.001149 -0.011446 30O 1py -0.008861 0.004071 -0.000139 -0.009074 0.009114 0.009154 30O 2pz 0.003943 -0.016423 -0.016482 0.021347 0.050207 -0.031079 30O 2px 0.054899 -0.025776 0.051818 -0.020176 -0.043450 0.081307 30O 2py 0.056792 -0.005123 0.021906 0.015619 -0.065341 0.001787 30O 3pz -0.084866 0.048582 -0.026310 -0.021981 0.010334 0.022377 30O 3px 0.035729 -0.000234 0.019656 -0.009403 -0.027956 0.018045 30O 3py -0.000471 -0.008025 0.023303 -0.060020 0.014642 0.033823 30O 1dz2 -0.001615 0.021939 -0.007994 -0.005418 0.007649 0.001324 30O 1dxz -0.014068 0.008758 0.008343 0.013386 -0.000791 -0.004151 30O 1dyz 0.003349 -0.009128 0.005952 -0.002652 -0.007079 0.010998 30O 1dx2y2 -0.008928 0.011483 -0.003474 0.001765 0.012884 -0.005036 30O 1dxy -0.007184 -0.003588 0.010782 0.008844 0.007374 0.001945 30O 2dz2 -0.009003 0.001475 0.002524 0.011738 0.001090 -0.009823 30O 2dxz -0.007916 0.005545 -0.013190 0.000729 0.017090 -0.007313 30O 2dyz -0.010770 0.007794 -0.013439 -0.002070 0.001641 -0.000593 30O 2dx2y2 0.004339 -0.003096 0.005138 -0.002042 -0.007756 0.012960 30O 2dxy 0.020340 -0.002394 0.009090 -0.005246 -0.017887 0.010184 30O 1f0 0.144245 -0.202438 0.123620 0.010414 0.035080 0.091272 30O 1f+1 -0.033234 0.061644 -0.068344 -0.180229 0.060503 0.140839 30O 1f-1 0.219910 -0.208125 0.210739 0.233585 -0.021379 -0.065362 30O 1f+2 -0.158668 0.146480 -0.042660 -0.077213 0.124128 0.061254 30O 1f-2 0.187812 -0.237400 0.213403 0.115983 0.034532 0.070659 30O 1f+3 0.181485 -0.203538 0.164899 0.143332 -0.085877 -0.005345 30O 1f-3 0.012517 -0.000538 -0.103735 -0.076673 -0.080517 -0.036526 31O 1s 0.000510 0.001136 0.000806 0.000425 -0.001278 0.000928 31O 2s 0.002034 0.003826 0.003165 0.001575 -0.003754 0.003566 31O 3s -0.031610 -0.037160 -0.043304 -0.019039 0.016859 -0.047255 31O 4s 0.114431 0.069638 0.153664 0.058392 0.046901 0.179598 31O 5s 0.100669 -0.026240 -0.016854 -0.014075 0.139400 0.012485 31O 1pz 0.009360 0.007569 0.004812 -0.008504 -0.003612 -0.004314 31O 1px 0.004849 0.006145 0.003955 0.001439 -0.001504 0.011441 31O 1py 0.009021 0.004075 0.000224 -0.009089 0.009364 -0.008958 31O 2pz -0.003651 -0.016443 0.017320 0.021134 0.049409 0.032376 31O 2px -0.055935 -0.026331 -0.052921 -0.019142 -0.040663 -0.082117 31O 2py -0.057962 -0.005166 -0.022817 0.016183 -0.065131 -0.003067 31O 3pz 0.084526 0.048809 0.026133 -0.022750 0.010350 -0.022254 31O 3px -0.036364 -0.000425 -0.020246 -0.008550 -0.027263 -0.018769 31O 3py 0.000396 -0.008373 -0.023405 -0.059787 0.015282 -0.033957 31O 1dz2 -0.001552 -0.021940 -0.008054 0.005445 -0.007626 0.001417 31O 1dxz -0.014172 -0.008786 0.008249 -0.013361 0.000677 -0.004106 31O 1dyz 0.003430 0.009207 0.006133 0.002589 0.006793 0.010993 31O 1dx2y2 -0.009024 -0.011480 -0.003614 -0.001736 -0.012804 -0.005042 31O 1dxy -0.007278 0.003599 0.010701 -0.008924 -0.007650 0.001836 31O 2dz2 -0.009215 -0.001533 0.002406 -0.011656 -0.000901 -0.009819 31O 2dxz -0.007905 -0.005605 -0.013374 -0.000546 -0.016707 -0.007678 31O 2dyz -0.010923 -0.007811 -0.013438 0.002270 -0.001335 -0.000780 31O 2dx2y2 0.004334 0.003208 0.005239 0.001988 0.007442 0.013046 31O 2dxy 0.020814 0.002467 0.009397 0.005025 0.017589 0.010542 31O 1f0 -0.146338 -0.203535 -0.124098 0.012118 0.038536 -0.089443 31O 1f+1 0.033441 0.061407 0.067474 -0.179735 0.062634 -0.140398 31O 1f-1 -0.223220 -0.209339 -0.210029 0.234947 -0.019902 0.066412 31O 1f+2 0.162365 0.147083 0.043838 -0.076992 0.126232 -0.060827 31O 1f-2 -0.190567 -0.239161 -0.213441 0.118225 0.039199 -0.068684 31O 1f+3 -0.184761 -0.204806 -0.165613 0.144416 -0.084201 0.005866 31O 1f-3 -0.013443 -0.000101 0.102840 -0.077940 -0.083892 0.035515 32O 1s -0.000145 0.000161 -0.000078 0.000022 -0.000213 -0.000025 32O 2s -0.000473 0.000412 -0.000220 0.000009 -0.000559 -0.000009 32O 3s 0.004238 -0.001872 0.001289 0.001186 0.002488 -0.001384 32O 4s -0.007350 -0.000948 -0.000398 -0.006852 -0.001235 0.004770 32O 5s 0.004937 -0.003374 0.001898 0.009125 0.021786 0.006839 32O 1pz -0.002167 -0.000209 0.000500 -0.004376 0.002816 -0.002954 32O 1px -0.004690 -0.001674 -0.000280 -0.006405 0.001834 0.001349 32O 1py -0.001994 0.003304 -0.001296 -0.002001 -0.004888 -0.000340 32O 2pz 0.013802 0.001969 -0.005297 0.019594 -0.012669 0.005810 32O 2px 0.013451 0.004873 -0.001368 0.018991 -0.009655 -0.005328 32O 2py 0.003894 -0.009786 0.003973 0.002813 0.016199 0.003206 32O 3pz 0.005854 -0.004380 -0.002787 -0.016405 0.004828 -0.005717 32O 3px -0.005899 0.006195 -0.005220 -0.004858 -0.003548 -0.001221 32O 3py -0.004881 0.008742 -0.001345 -0.007653 -0.002170 0.008183 32O 1dz2 0.000929 -0.002452 0.002556 -0.000449 -0.001773 -0.002869 32O 1dxz 0.010046 -0.002846 0.000795 0.003671 -0.003165 -0.001001 32O 1dyz -0.000676 0.001302 -0.003890 -0.001596 -0.000576 0.000072 32O 1dx2y2 0.001817 0.002712 -0.002572 0.002437 -0.006205 -0.001600 32O 1dxy 0.012958 -0.002130 0.004031 0.006046 0.000878 -0.003630 32O 2dz2 0.004639 -0.000019 -0.000786 0.003954 -0.002707 -0.001844 32O 2dxz 0.001618 -0.003675 0.003878 -0.002554 0.004158 0.001492 32O 2dyz 0.007522 0.000707 -0.003532 0.007044 -0.004706 -0.000611 32O 2dx2y2 -0.008470 0.005813 -0.002840 -0.002503 -0.005080 0.000795 32O 2dxy 0.005358 0.001773 -0.001308 0.005555 -0.004501 -0.002088 32O 1f0 -0.049979 0.035696 -0.016251 -0.010092 -0.031073 0.004244 32O 1f+1 0.041673 -0.028644 0.014657 0.010083 0.026058 0.004211 32O 1f-1 0.078121 -0.046035 0.026375 0.022870 0.031965 -0.010590 32O 1f+2 0.086174 -0.043300 0.029768 0.035015 0.021867 -0.016169 32O 1f-2 -0.003120 0.016646 -0.000789 0.001702 -0.015831 -0.003859 32O 1f+3 0.062945 -0.008692 0.018765 0.023938 -0.015627 -0.020289 32O 1f-3 -0.107339 0.082345 -0.033553 -0.025875 -0.057288 0.004180 33O 1s -0.000594 -0.000317 0.000634 0.001878 -0.000077 0.002042 33O 2s -0.002730 -0.000937 0.002450 0.006281 -0.000370 0.008006 33O 3s 0.043643 0.003296 -0.033724 -0.053186 0.004281 -0.107632 33O 4s -0.180610 0.017597 0.126030 0.082042 -0.027062 0.403046 33O 5s 0.011933 0.031905 0.005415 -0.148421 0.003850 -0.061571 33O 1pz -0.003735 -0.001296 -0.002556 0.004633 0.007576 0.006136 33O 1px 0.001836 -0.003232 0.002625 0.005769 0.001466 0.019622 33O 1py -0.000723 0.002624 0.013283 0.007027 -0.013600 0.010043 33O 2pz -0.039502 0.017204 0.024679 -0.037812 -0.013481 0.053807 33O 2px 0.057080 -0.005969 -0.049362 -0.005393 0.007374 -0.165108 33O 2py -0.005974 -0.002594 -0.031851 -0.030400 0.031963 -0.029846 33O 3pz -0.060287 -0.004155 0.005822 0.028816 0.031281 0.073227 33O 3px 0.031974 -0.009614 -0.027020 -0.001110 0.020173 -0.033970 33O 3py -0.009049 0.004105 0.035354 0.030299 -0.039754 0.038612 33O 1dz2 -0.001002 -0.010233 0.002348 -0.006010 -0.015346 -0.010897 33O 1dxz 0.005911 -0.006903 -0.003378 -0.011118 0.002044 -0.001553 33O 1dyz 0.007633 0.004647 -0.011356 -0.007276 0.019693 -0.018216 33O 1dx2y2 0.002110 -0.016958 -0.005549 0.003439 -0.005135 -0.003078 33O 1dxy 0.001339 0.005981 0.003711 0.001911 -0.006635 -0.013258 33O 2dz2 -0.008678 -0.004057 -0.011066 -0.002305 0.009767 -0.006921 33O 2dxz 0.022688 -0.005525 -0.007277 0.005198 -0.003922 -0.030163 33O 2dyz -0.009768 0.001406 0.001988 0.006839 -0.001584 -0.004742 33O 2dx2y2 -0.009457 0.000379 0.011509 0.001466 -0.002959 0.030715 33O 2dxy 0.004945 -0.003086 0.000905 0.006215 0.001294 0.006275 33O 1f0 0.037379 -0.098011 -0.171532 -0.080246 0.156094 -0.029782 33O 1f+1 0.035113 -0.049667 -0.197497 -0.044466 0.236036 -0.000295 33O 1f-1 -0.081795 -0.040114 -0.042890 0.142064 0.112239 0.245046 33O 1f+2 0.042829 -0.033960 -0.295797 -0.078517 0.371334 0.034245 33O 1f-2 -0.094550 -0.024589 0.036465 0.140187 0.001570 0.260280 33O 1f+3 -0.015502 -0.055362 0.211967 0.019219 -0.335036 -0.094743 33O 1f-3 0.077639 0.091451 -0.014655 -0.081305 -0.010561 -0.266702 34O 1s -0.000033 0.000967 -0.000721 0.000564 -0.001084 -0.000682 34O 2s -0.000025 0.003260 -0.002854 0.002129 -0.003519 -0.002687 34O 3s -0.003453 -0.029874 0.039591 -0.027727 0.023208 0.036904 34O 4s -0.000843 0.041396 -0.151402 0.076723 -0.007211 -0.144023 34O 5s 0.132887 -0.083049 0.013401 0.057515 0.097906 0.055033 34O 1pz -0.013007 -0.002148 0.001051 -0.011164 -0.004113 -0.004564 34O 1px -0.006387 -0.000971 0.003220 -0.007219 0.003649 0.003416 34O 1py -0.004412 -0.003371 0.005912 -0.004387 0.002058 0.009450 34O 2pz 0.043867 0.006221 0.012038 0.021369 0.014789 0.026101 34O 2px 0.035406 -0.003005 -0.063159 0.050433 0.025294 -0.054720 34O 2py 0.005151 0.016702 0.000516 -0.006722 -0.025977 -0.030743 34O 3pz -0.059112 0.007478 0.008999 -0.053494 -0.017099 0.008622 34O 3px 0.039384 0.004506 -0.031526 0.044409 0.005202 -0.009763 34O 3py -0.027681 -0.019890 0.020677 -0.049370 -0.006079 0.028707 34O 1dz2 0.011363 0.018191 0.007497 -0.001771 0.015648 0.001516 34O 1dxz -0.002943 0.005110 -0.008487 0.013640 0.010522 0.011788 34O 1dyz -0.011719 -0.010903 -0.006222 -0.008976 -0.012312 -0.016268 34O 1dx2y2 -0.001247 0.014926 -0.001378 0.005709 -0.003694 0.006047 34O 1dxy -0.003868 -0.000358 -0.007929 0.009238 0.000959 0.002314 34O 2dz2 -0.011003 -0.003029 0.010185 -0.011666 -0.002478 0.003930 34O 2dxz 0.006836 0.006057 0.012345 -0.010204 -0.001398 0.010105 34O 2dyz 0.000463 -0.006564 -0.002700 0.003639 0.007549 0.000884 34O 2dx2y2 0.011626 0.005003 -0.011235 0.010032 0.008720 -0.013291 34O 2dxy -0.000686 0.001871 0.012005 -0.016816 -0.006955 -0.009274 34O 1f0 -0.036970 -0.106131 0.175834 -0.109600 0.101676 0.094723 34O 1f+1 0.155392 0.151318 0.033108 0.038312 0.091274 0.066892 34O 1f-1 0.446295 0.165332 -0.181716 0.430558 0.172269 0.262687 34O 1f+2 -0.037913 -0.103696 0.059990 -0.002879 0.098056 0.078286 34O 1f-2 0.022275 -0.014781 -0.070108 0.039146 -0.017715 -0.039222 34O 1f+3 -0.094244 -0.083117 0.006288 -0.064131 -0.069569 -0.063561 34O 1f-3 -0.070371 0.015736 0.081275 -0.146753 -0.014733 -0.073357 35O 1s 0.000801 -0.000419 -0.000373 0.001595 0.000106 -0.001512 35O 2s 0.003600 -0.001344 -0.001410 0.004954 0.000905 -0.005925 35O 3s -0.056194 0.008732 0.017081 -0.031703 -0.022793 0.080712 35O 4s 0.211957 0.002898 -0.072677 -0.006226 0.100870 -0.305355 35O 5s 0.004167 -0.003959 0.059734 -0.164898 0.107825 0.052265 35O 1pz 0.002005 -0.006617 -0.005481 0.003363 0.000906 -0.016966 35O 1px 0.004837 -0.002855 0.002823 -0.001364 -0.005175 0.007371 35O 1py 0.001209 0.005164 -0.005190 0.005810 -0.004569 -0.010451 35O 2pz 0.001902 0.019359 0.017455 -0.024709 0.002552 0.063100 35O 2px 0.072482 0.016410 -0.028253 -0.050380 0.071605 -0.118796 35O 2py 0.032189 0.000242 0.021975 -0.042789 0.024862 -0.006995 35O 3pz 0.034626 -0.025057 0.009027 0.026575 0.007655 -0.009822 35O 3px 0.082212 -0.025033 0.017598 -0.019730 0.060021 -0.037474 35O 3py 0.039662 0.037212 -0.012420 0.036627 -0.005051 -0.023545 35O 1dz2 -0.003259 0.018901 -0.002968 -0.001988 0.016326 0.013558 35O 1dxz 0.003473 0.011623 0.004472 0.002529 0.002595 -0.001970 35O 1dyz -0.001788 -0.005159 0.012642 -0.003361 -0.012106 0.009887 35O 1dx2y2 -0.001228 0.013677 0.008213 0.015810 0.004085 0.010248 35O 1dxy 0.001175 -0.007972 -0.010093 0.004587 0.006919 0.011759 35O 2dz2 -0.011559 -0.006164 -0.001744 0.011747 -0.009607 0.015381 35O 2dxz 0.013185 -0.003943 0.002798 -0.003062 0.004730 0.017827 35O 2dyz 0.011700 -0.004781 0.003247 0.007625 -0.000514 0.004291 35O 2dx2y2 0.016313 -0.002758 -0.013092 -0.011194 0.026230 -0.022284 35O 2dxy 0.025305 0.006365 0.010933 -0.005739 0.005354 -0.015218 35O 1f0 0.051882 -0.317394 -0.133716 -0.125527 0.064896 0.022655 35O 1f+1 -0.047508 0.083111 0.013806 -0.026449 0.100275 0.176108 35O 1f-1 0.114791 -0.032808 -0.107660 0.156654 0.035029 -0.293988 35O 1f+2 0.044445 -0.128201 -0.090698 -0.077163 0.064987 -0.067536 35O 1f-2 0.025447 -0.187306 -0.014732 -0.067741 -0.060297 -0.000491 35O 1f+3 0.043743 -0.065995 -0.078368 0.007797 0.033901 -0.105592 35O 1f-3 -0.012040 -0.026081 0.060592 -0.029661 -0.104324 -0.010680 624 625 626 627 628 629 5.18170 5.19261 5.20349 5.20542 5.20965 5.21752 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s -0.000025 -0.001745 -0.000287 -0.000297 -0.000409 -0.000813 0Rh 2s 0.000208 0.010506 0.001758 0.001812 0.002406 0.004686 0Rh 3s -0.000024 -0.004274 -0.000683 -0.000711 -0.001037 -0.002123 0Rh 4s -0.001210 -0.064627 -0.010796 -0.011145 -0.014867 -0.029176 0Rh 5s 0.002780 0.159211 0.026667 0.027645 0.036703 0.073700 0Rh 6s -0.001878 -0.143314 -0.024237 -0.025754 -0.032940 -0.075756 0Rh 7s -0.008697 0.095462 0.015647 0.017647 0.013968 0.306920 0Rh 8s -0.007066 -0.049915 -0.028615 -0.036207 -0.069613 -0.118162 0Rh 1pz 0.004159 0.005052 -0.021266 0.012817 -0.002422 0.006159 0Rh 1px 0.005803 -0.028036 -0.008989 0.002008 -0.003107 -0.025819 0Rh 1py -0.022291 0.002147 -0.005566 -0.014008 -0.020681 -0.012158 0Rh 2pz -0.017005 -0.020607 0.086617 -0.052289 0.009839 -0.025371 0Rh 2px -0.023707 0.114756 0.036655 -0.008127 0.012735 0.106140 0Rh 2py 0.090822 -0.008688 0.022741 0.057092 0.084233 0.049862 0Rh 3pz 0.050564 0.059869 -0.251173 0.153116 -0.028168 0.079019 0Rh 3px 0.070236 -0.342159 -0.106863 0.022794 -0.038141 -0.326429 0Rh 3py -0.264249 0.024440 -0.067257 -0.166165 -0.244046 -0.151087 0Rh 4pz -0.056886 -0.061019 0.262867 -0.164586 0.028751 -0.100205 0Rh 4px -0.078804 0.381061 0.112705 -0.022370 0.042469 0.401373 0Rh 4py 0.281221 -0.024656 0.074264 0.175489 0.254241 0.178570 0Rh 5pz 0.023710 0.007035 -0.066038 0.051145 -0.005999 0.069010 0Rh 5px 0.033332 -0.130514 -0.028568 0.003959 -0.015667 -0.246781 0Rh 5py -0.088024 0.009640 -0.026431 -0.046821 -0.060374 -0.086523 0Rh 6pz -0.031226 0.084630 -0.114334 0.013097 -0.050362 -0.201155 0Rh 6px -0.036262 -0.148354 -0.045910 0.016353 0.047932 0.453262 0Rh 6py 0.057269 -0.112754 0.002354 -0.062947 -0.158169 -0.252980 0Rh 1dz2 0.001154 -0.010754 0.002337 0.003770 -0.005987 -0.005810 0Rh 1dxz -0.000060 -0.009150 -0.003526 -0.001759 -0.003534 -0.004084 0Rh 1dyz 0.003195 -0.003543 0.005584 0.013831 -0.009680 -0.005708 0Rh 1dx2y2 0.001951 0.014866 0.002343 0.005360 0.003427 0.003785 0Rh 1dxy -0.008076 0.008212 0.004551 0.006225 -0.003142 0.005603 0Rh 2dz2 -0.000112 0.002469 -0.001594 -0.001842 0.002010 0.002497 0Rh 2dxz -0.000058 0.002441 0.001810 0.000164 0.000741 0.002008 0Rh 2dyz -0.001123 0.000935 -0.003031 -0.006561 0.004045 0.001453 0Rh 2dx2y2 -0.000712 -0.003602 -0.000469 -0.001960 -0.000556 -0.001553 0Rh 2dxy 0.002116 -0.002000 -0.001345 -0.002021 0.002529 -0.000580 0Rh 3dz2 -0.004798 0.038285 -0.003350 -0.008737 0.018335 0.015463 0Rh 3dxz 0.000545 0.031033 0.007993 0.007355 0.013003 0.009742 0Rh 3dyz -0.009572 0.012080 -0.011582 -0.033270 0.025842 0.019713 0Rh 3dx2y2 -0.005738 -0.051991 -0.008632 -0.015709 -0.013379 -0.010445 0Rh 3dxy 0.027668 -0.028774 -0.014750 -0.019288 0.002746 -0.023482 0Rh 4dz2 0.008353 -0.060692 -0.002305 0.006538 -0.024841 -0.018088 0Rh 4dxz -0.001382 -0.047537 -0.006311 -0.013197 -0.021538 -0.009540 0Rh 4dyz 0.012524 -0.018791 0.005908 0.028965 -0.028193 -0.029922 0Rh 4dx2y2 0.007503 0.081178 0.014038 0.020163 0.023487 0.012915 0Rh 4dxy -0.042983 0.044991 0.020823 0.025914 0.008272 0.042975 0Rh 5dz2 -0.006972 0.047371 0.030495 0.000908 0.021485 -0.016164 0Rh 5dxz 0.003910 0.035813 -0.032513 0.023408 0.017999 -0.021602 0Rh 5dyz 0.002090 0.017091 0.015369 0.023741 0.014207 0.008772 0Rh 5dx2y2 -0.001650 -0.060635 -0.020556 -0.001619 -0.020574 0.015764 0Rh 5dxy 0.033155 -0.026412 -0.017243 -0.028055 -0.057697 -0.042212 0Rh 1f0 0.009341 -0.003677 -0.004812 0.008277 0.005908 -0.000256 0Rh 1f+1 0.000947 0.003521 -0.002345 -0.001231 0.001911 -0.002108 0Rh 1f-1 0.010379 -0.004816 0.012348 0.002918 0.008357 -0.004246 0Rh 1f+2 0.005307 0.001263 -0.008301 0.009019 0.002243 -0.005869 0Rh 1f-2 0.008864 -0.002510 -0.000617 -0.000946 0.009552 -0.003756 0Rh 1f+3 -0.004938 0.004820 0.003999 -0.003150 -0.001594 -0.003840 0Rh 1f-3 0.001343 0.002819 0.000535 0.003548 -0.004331 -0.002026 1Rh 1s -0.000022 0.001747 0.000295 0.000297 0.000413 -0.000810 1Rh 2s 0.000191 -0.010516 -0.001808 -0.001818 -0.002428 0.004674 1Rh 3s -0.000017 0.004277 0.000703 0.000713 0.001047 -0.002110 1Rh 4s -0.001106 0.064688 0.011104 0.011183 0.015002 -0.029096 1Rh 5s 0.002526 -0.159362 -0.027440 -0.027741 -0.037038 0.073513 1Rh 6s -0.001657 0.143460 0.025033 0.025848 0.033254 -0.075664 1Rh 7s -0.008781 -0.095709 -0.018441 -0.018740 -0.015244 0.307911 1Rh 8s -0.007066 0.049787 0.029576 0.037159 0.070096 -0.116358 1Rh 1pz -0.004215 0.005013 -0.021158 0.012879 -0.002422 -0.006316 1Rh 1px -0.005915 -0.028061 -0.009213 0.001917 -0.003282 0.025722 1Rh 1py 0.022492 0.002071 -0.005637 -0.014067 -0.020746 0.011894 1Rh 2pz 0.017234 -0.020448 0.086177 -0.052541 0.009839 0.026012 1Rh 2px 0.024166 0.114855 0.037576 -0.007752 0.013456 -0.105744 1Rh 2py -0.091647 -0.008380 0.023031 0.057335 0.084500 -0.048785 1Rh 3pz -0.051241 0.059408 -0.249841 0.153873 -0.028142 -0.080873 1Rh 3px -0.071609 -0.342449 -0.109678 0.021648 -0.040333 0.325279 1Rh 3py 0.266731 0.023538 -0.068129 -0.166917 -0.244831 0.147936 1Rh 4pz 0.057647 -0.060533 0.261302 -0.165464 0.028650 0.102112 1Rh 4px 0.080362 0.381378 0.116120 -0.020983 0.045080 -0.400185 1Rh 4py -0.284112 -0.023687 0.075275 0.176422 0.255097 -0.175205 1Rh 5pz -0.024042 0.006841 -0.065215 0.051604 -0.005801 -0.069209 1Rh 5px -0.033965 -0.130645 -0.030612 0.003119 -0.017085 0.246458 1Rh 5py 0.089414 0.009344 -0.026859 -0.047368 -0.060674 0.085582 1Rh 6pz 0.031878 0.087532 -0.116857 0.011813 -0.051334 0.195137 1Rh 6px 0.036344 -0.147722 -0.042023 0.018246 0.050312 -0.449979 1Rh 6py -0.058402 -0.112425 -0.000426 -0.063841 -0.159869 0.249394 1Rh 1dz2 0.001194 0.010795 -0.002324 -0.003747 0.006013 -0.005837 1Rh 1dxz -0.000026 0.009245 0.003541 0.001763 0.003578 -0.004091 1Rh 1dyz 0.003218 0.003777 -0.005552 -0.013759 0.009749 -0.006072 1Rh 1dx2y2 0.001907 -0.014832 -0.002359 -0.005290 -0.003399 0.003620 1Rh 1dxy -0.008006 -0.008095 -0.004566 -0.006255 0.003158 0.005350 1Rh 2dz2 -0.000108 -0.002477 0.001584 0.001823 -0.002014 0.002500 1Rh 2dxz -0.000063 -0.002451 -0.001820 -0.000168 -0.000750 0.002003 1Rh 2dyz -0.001133 -0.000983 0.003034 0.006542 -0.004059 0.001488 1Rh 2dx2y2 -0.000699 0.003599 0.000488 0.001951 0.000565 -0.001540 1Rh 2dxy 0.002113 0.001976 0.001354 0.002020 -0.002532 -0.000567 1Rh 3dz2 -0.005005 -0.038434 0.003334 0.008717 -0.018435 0.015583 1Rh 3dxz 0.000413 -0.031424 -0.008017 -0.007354 -0.013165 0.009798 1Rh 3dyz -0.009634 -0.012943 0.011417 0.033024 -0.026096 0.021259 1Rh 3dx2y2 -0.005594 0.051841 0.008616 0.015427 0.013213 -0.009732 1Rh 3dxy 0.027355 0.028340 0.014774 0.019437 -0.002809 -0.022356 1Rh 4dz2 0.008770 0.060943 0.002301 -0.006588 0.025016 -0.018364 1Rh 4dxz -0.001155 0.048235 0.006311 0.013176 0.021805 -0.009637 1Rh 4dyz 0.012625 0.020238 -0.005550 -0.028589 0.028628 -0.032901 1Rh 4dx2y2 0.007296 -0.080894 -0.013915 -0.019668 -0.023135 0.011544 1Rh 4dxy -0.042405 -0.044264 -0.020821 -0.026209 -0.008161 0.040789 1Rh 5dz2 -0.007788 -0.047798 -0.030414 -0.000546 -0.021662 -0.015176 1Rh 5dxz 0.003700 -0.036623 0.032703 -0.023305 -0.018201 -0.021779 1Rh 5dyz 0.001548 -0.018930 -0.016098 -0.023873 -0.014706 0.014445 1Rh 5dx2y2 -0.001592 0.060230 0.020034 0.001022 0.019984 0.018186 1Rh 5dxy 0.032353 0.025539 0.016981 0.028473 0.057496 -0.038181 1Rh 1f0 -0.009307 -0.003655 -0.004775 0.008266 0.005927 0.000292 1Rh 1f+1 -0.000956 0.003520 -0.002391 -0.001243 0.001921 0.002200 1Rh 1f-1 -0.010352 -0.004696 0.012295 0.002873 0.008370 0.004228 1Rh 1f+2 -0.005296 0.001232 -0.008366 0.008979 0.002184 0.005771 1Rh 1f-2 -0.008904 -0.002528 -0.000663 -0.000971 0.009556 0.003920 1Rh 1f+3 0.005011 0.004852 0.003924 -0.003172 -0.001609 0.003795 1Rh 1f-3 -0.001404 0.002846 0.000541 0.003521 -0.004362 0.001912 2C 1s 0.000032 0.000154 0.001440 -0.000341 0.001508 0.002179 2C 2s 0.000037 -0.000226 0.004057 -0.000511 0.003344 0.003799 2C 3s 0.006479 0.071951 -0.222589 0.009574 -0.127889 -0.047791 2C 4s -0.029612 -0.354882 0.831479 -0.007712 0.432272 -0.026174 2C 5s -0.045085 -0.137612 0.285714 -0.082442 0.201115 0.182624 2C 1pz 0.007650 0.019547 -0.052055 0.002366 -0.023954 -0.023386 2C 1px -0.010727 -0.014473 -0.011393 0.014724 -0.022559 -0.009372 2C 1py -0.003295 0.005589 -0.029194 0.002261 -0.026407 -0.016550 2C 2pz -0.079362 -0.246999 0.402717 0.027066 0.182962 -0.037806 2C 2px 0.106842 0.118965 0.150266 -0.140969 0.267180 0.073334 2C 2py 0.071233 -0.080922 0.225736 -0.026882 0.176617 -0.060099 2C 3pz -0.025227 -0.058885 0.140378 0.004811 0.070494 0.067041 2C 3px 0.041902 0.023248 0.009591 -0.060837 0.079046 0.033974 2C 3py 0.000510 -0.028340 0.083146 -0.025448 0.052920 0.050230 2C 1dz2 0.014276 0.009921 0.002811 -0.016050 0.001124 -0.018193 2C 1dxz -0.015101 -0.024121 0.003823 0.010711 -0.025390 -0.013953 2C 1dyz 0.002888 -0.000418 -0.002158 0.003595 0.010292 -0.018414 2C 1dx2y2 0.002070 0.005353 0.001012 -0.005221 -0.009476 -0.000353 2C 1dxy -0.013273 -0.018255 0.000562 0.013355 -0.012044 -0.003817 2C 2dz2 -0.042473 -0.092569 0.123008 0.020182 -0.021466 -0.026630 2C 2dxz 0.061078 0.054270 -0.044616 -0.071670 0.011030 -0.044806 2C 2dyz 0.020596 -0.050233 0.183367 -0.012534 0.152621 0.034702 2C 2dx2y2 0.050987 0.062890 0.016814 -0.057288 0.024557 0.017849 2C 2dxy 0.000170 0.034403 0.010917 -0.034503 0.102442 0.043018 2C 1f0 0.001236 -0.008731 0.041665 -0.015612 -0.026721 -0.018264 2C 1f+1 0.002228 -0.000142 0.027523 -0.014583 0.015281 0.008199 2C 1f-1 -0.002277 -0.017858 0.037126 0.002093 0.012663 0.000899 2C 1f+2 0.005350 0.014346 -0.044520 -0.016259 -0.043742 -0.014640 2C 1f-2 0.004446 0.003019 0.017283 -0.013594 0.012245 -0.007572 2C 1f+3 0.007625 0.011361 -0.024076 -0.008980 -0.002694 -0.013393 2C 1f-3 -0.002917 -0.004889 0.016439 0.008597 0.025359 0.012527 3C 1s -0.000526 0.000654 0.001095 -0.001007 -0.001226 0.001176 3C 2s -0.000534 0.001692 0.002526 -0.003211 -0.002906 0.002685 3C 3s -0.022455 -0.072612 -0.103367 0.189564 0.145191 -0.069129 3C 4s 0.145136 0.238976 0.372961 -0.739457 -0.521403 0.139548 3C 5s -0.003064 -0.015704 0.109543 -0.202244 -0.332444 0.273199 3C 1pz -0.009369 0.000420 -0.012466 0.026373 0.012222 -0.009249 3C 1px 0.019181 -0.023309 -0.020716 -0.000070 0.020526 -0.009425 3C 1py 0.005004 0.014460 0.019617 -0.045242 -0.038191 0.021735 3C 2pz 0.121221 -0.043793 0.051071 -0.175681 -0.044838 -0.021849 3C 2px -0.163246 0.220521 0.211275 0.005665 -0.194696 0.018225 3C 2py -0.080279 -0.081278 -0.205455 0.422112 0.289017 -0.044278 3C 3pz 0.029066 0.009127 0.008432 -0.078273 -0.045894 0.055322 3C 3px -0.069579 0.035100 0.053874 0.020034 -0.091364 0.030732 3C 3py -0.018472 -0.014302 -0.056433 0.118515 0.108656 -0.103601 3C 1dz2 -0.011889 0.006263 0.015112 0.002620 -0.001495 0.002073 3C 1dxz 0.020220 -0.018559 -0.000895 -0.015652 0.006933 -0.004845 3C 1dyz 0.015078 -0.009484 -0.019645 -0.003838 0.001246 0.007649 3C 1dx2y2 0.014484 -0.014188 -0.000198 -0.013265 0.009223 0.004315 3C 1dxy -0.027295 0.020505 0.012766 0.016276 -0.009819 0.007865 3C 2dz2 0.045025 -0.047473 -0.028669 0.011051 0.067535 -0.015375 3C 2dxz -0.007898 -0.022100 0.028557 -0.014201 -0.000759 -0.010599 3C 2dyz -0.034931 -0.040426 -0.127385 0.207756 0.113238 -0.042252 3C 2dx2y2 -0.097781 0.040054 0.048952 0.098837 0.016955 0.006955 3C 2dxy 0.090134 -0.087970 -0.069221 -0.058371 0.075709 0.003038 3C 1f0 0.002016 -0.000394 0.007451 -0.009864 0.002698 0.006581 3C 1f+1 -0.000117 0.004569 0.026574 -0.024420 -0.008529 -0.000739 3C 1f-1 -0.002496 0.017391 -0.034503 0.015845 -0.019813 0.002078 3C 1f+2 -0.021314 -0.008632 -0.009045 0.051943 0.020639 -0.018259 3C 1f-2 0.003834 -0.019765 -0.035689 0.032039 0.025734 -0.006641 3C 1f+3 -0.005997 0.012305 0.014305 -0.016167 -0.023183 0.008227 3C 1f-3 -0.013340 -0.010000 0.004212 0.035664 0.022808 -0.008077 4C 1s 0.000198 0.000306 0.001533 -0.000414 0.001266 0.000580 4C 2s 0.000333 0.001379 0.000812 -0.000615 0.000898 0.000969 4C 3s -0.004659 -0.111695 0.353615 -0.029588 0.246265 0.118736 4C 4s 0.024256 0.504069 -1.747903 0.158225 -1.216337 -0.691678 4C 5s 0.026483 0.119647 -0.444713 0.061425 -0.345378 -0.252502 4C 1pz -0.003962 0.002414 0.012027 -0.003675 0.005000 0.020248 4C 1px 0.005289 0.002930 0.009878 -0.004149 0.005713 0.003962 4C 1py 0.002360 0.004430 0.004673 0.001491 0.013516 0.017873 4C 2pz -0.038463 -0.198259 0.156749 0.182374 -0.132708 -0.255290 4C 2px 0.109406 0.207308 -0.271466 -0.424299 0.427458 0.084473 4C 2py 0.010628 -0.041371 0.006017 -0.076302 0.036832 -0.141590 4C 3pz 0.006161 -0.072968 0.134978 -0.067925 0.109629 0.062597 4C 3px -0.066224 -0.017498 0.069001 0.134371 -0.074351 -0.081022 4C 3py -0.025541 -0.057758 0.120448 0.006493 0.033861 0.005042 4C 1dz2 0.000670 -0.003714 0.014493 0.004975 -0.004505 0.002431 4C 1dxz -0.003229 -0.012315 0.004116 -0.013279 0.013621 -0.004487 4C 1dyz -0.000146 0.000249 -0.016856 0.003167 -0.006146 -0.010128 4C 1dx2y2 0.005234 0.010539 -0.028541 0.000194 -0.023883 -0.026205 4C 1dxy -0.007661 -0.000538 -0.027055 -0.005270 -0.008933 0.006850 4C 2dz2 -0.068923 -0.076532 0.087104 0.105007 -0.182191 0.035495 4C 2dxz 0.119168 0.218512 -0.037540 -0.285652 0.334007 0.183223 4C 2dyz -0.010580 0.078023 -0.178488 0.033613 -0.094513 0.049376 4C 2dx2y2 -0.017059 0.012219 -0.166850 -0.003226 -0.156559 -0.155808 4C 2dxy 0.120500 0.192437 -0.226424 -0.183610 0.101537 -0.017107 4C 1f0 -0.004820 -0.016798 0.018877 0.015373 0.059046 0.022880 4C 1f+1 0.006429 -0.013282 0.084783 -0.000890 0.073857 0.041763 4C 1f-1 -0.001356 -0.018232 0.022755 0.015494 -0.000467 -0.027822 4C 1f+2 -0.004757 0.012278 -0.066858 0.047511 -0.047768 -0.014333 4C 1f-2 0.012214 0.014732 -0.014100 -0.015393 0.027925 -0.009032 4C 1f+3 -0.009545 -0.000691 0.006469 0.022295 -0.031338 -0.036362 4C 1f-3 -0.016048 -0.027149 0.094506 0.013026 0.018999 0.016038 5C 1s -0.000488 0.000915 0.000864 -0.000894 -0.001081 0.000847 5C 2s -0.001037 0.001152 0.000340 0.000050 -0.000492 0.000845 5C 3s 0.008011 0.106395 0.201352 -0.279866 -0.258147 0.150782 5C 4s -0.015806 -0.553967 -0.983214 1.370945 1.263598 -0.836101 5C 5s 0.011276 -0.028910 -0.228776 0.322302 0.419442 -0.151084 5C 1pz 0.001021 -0.002998 0.008916 -0.004287 -0.000379 0.004191 5C 1px -0.009210 0.006734 0.002618 0.000558 -0.005054 0.011735 5C 1py 0.003077 -0.006298 -0.002363 0.007688 0.013889 -0.016273 5C 2pz 0.131722 -0.033010 -0.118823 -0.236769 0.074627 -0.036881 5C 2px -0.220573 0.109914 0.294011 0.500732 -0.301195 -0.238777 5C 2py -0.137525 0.039697 0.018806 0.226587 -0.052324 0.133859 5C 3pz -0.028805 0.013009 0.040840 -0.043837 -0.137981 0.126418 5C 3px 0.113655 -0.000983 -0.032981 -0.164917 0.063481 0.151838 5C 3py 0.009658 -0.024359 -0.054559 0.103905 0.155079 -0.220308 5C 1dz2 -0.003495 0.009484 0.017216 -0.022109 -0.012509 0.006452 5C 1dxz 0.000004 -0.000393 0.011651 -0.004727 -0.013954 0.017480 5C 1dyz 0.003438 0.005208 0.007994 -0.009913 -0.018382 0.018095 5C 1dx2y2 0.005117 -0.015971 -0.009819 0.020288 0.013791 -0.014946 5C 1dxy -0.007274 0.011556 -0.007807 -0.012945 0.012370 0.016717 5C 2dz2 0.077889 -0.021494 0.068202 -0.236670 -0.029503 0.094816 5C 2dxz -0.150587 0.118392 0.167341 0.124364 -0.138921 0.044598 5C 2dyz -0.102271 0.135545 0.177084 -0.013213 -0.230970 -0.005176 5C 2dx2y2 -0.102199 0.025526 0.065313 0.250883 0.024931 -0.178867 5C 2dxy 0.283695 -0.160733 -0.163223 -0.363252 0.141512 0.009987 5C 1f0 -0.020462 0.009131 0.023434 0.002088 -0.038964 0.016197 5C 1f+1 0.018646 0.016369 0.008492 -0.072174 -0.039105 0.031712 5C 1f-1 -0.014002 -0.010551 0.045640 0.008314 0.016209 -0.014894 5C 1f+2 0.002022 0.008083 -0.011231 -0.002120 0.009397 0.012423 5C 1f-2 0.037090 -0.034847 -0.046136 0.009873 0.077512 -0.002876 5C 1f+3 0.013574 0.026206 0.036112 -0.073684 -0.030798 0.040843 5C 1f-3 -0.008854 -0.010601 -0.053573 0.069614 0.047465 -0.022894 6C 1s -0.000517 -0.000955 -0.000878 0.000880 0.001074 0.000860 6C 2s -0.001093 -0.001214 -0.000366 -0.000075 0.000481 0.000848 6C 3s 0.007650 -0.107323 -0.202014 0.279504 0.257906 0.154799 6C 4s -0.012372 0.560206 0.987831 -1.368477 -1.261639 -0.856003 6C 5s 0.011302 0.030855 0.231603 -0.321793 -0.419829 -0.154277 6C 1pz -0.000880 -0.002811 0.009008 -0.004224 -0.000270 -0.004124 6C 1px 0.009413 0.006860 0.002808 0.000618 -0.005069 -0.012058 6C 1py -0.003249 -0.006497 -0.002565 0.007535 0.013837 0.016443 6C 2pz -0.132917 -0.036892 -0.119901 -0.238302 0.074067 0.032471 6C 2px 0.216785 0.107231 0.290775 0.498071 -0.302395 0.256077 6C 2py 0.139793 0.046030 0.021384 0.229215 -0.051543 -0.133163 6C 3pz 0.028989 0.010910 0.040575 -0.043354 -0.138064 -0.126586 6C 3px -0.113319 -0.001624 -0.032418 -0.163938 0.064356 -0.150193 6C 3py -0.009761 -0.021478 -0.054060 0.103146 0.155323 0.218991 6C 1dz2 -0.003683 -0.009887 -0.017241 0.022002 0.012344 0.006904 6C 1dxz -0.000103 0.000291 -0.011765 0.004537 0.013831 0.017315 6C 1dyz 0.003400 -0.005385 -0.008076 0.009824 0.018352 0.018092 6C 1dx2y2 0.005102 0.016287 0.009958 -0.020293 -0.013856 -0.015621 6C 1dxy -0.007602 -0.011415 0.007621 0.012941 -0.012376 0.017501 6C 2dz2 0.076778 0.020443 -0.069171 0.235943 0.028947 0.098421 6C 2dxz -0.151393 -0.120527 -0.167796 -0.124666 0.138805 0.042953 6C 2dyz -0.101566 -0.134899 -0.176382 0.013770 0.231486 -0.006233 6C 2dx2y2 -0.099879 -0.022284 -0.062762 -0.248796 -0.024177 -0.185370 6C 2dxy 0.284390 0.161960 0.163410 0.363671 -0.141573 0.015548 6C 1f0 0.020683 0.009253 0.023640 0.002132 -0.038890 -0.015793 6C 1f+1 -0.018338 0.016653 0.008820 -0.071988 -0.039077 -0.033399 6C 1f-1 0.014196 -0.010374 0.045539 0.008306 0.016385 0.015578 6C 1f+2 -0.002007 0.008195 -0.010953 -0.002133 0.009456 -0.012767 6C 1f-2 -0.036929 -0.035009 -0.046050 0.010024 0.077668 0.002550 6C 1f+3 -0.013079 0.026499 0.036309 -0.073423 -0.030598 -0.042232 6C 1f-3 0.008593 -0.010909 -0.053734 0.069552 0.047338 0.023397 7C 1s 0.000209 -0.000292 -0.001528 0.000424 -0.001277 0.000550 7C 2s 0.000357 -0.001360 -0.000795 0.000631 -0.000912 0.000919 7C 3s -0.005191 0.111800 -0.354978 0.028912 -0.248171 0.117666 7C 4s 0.026151 -0.505566 1.754829 -0.154857 1.226189 -0.685494 7C 5s 0.027204 -0.122423 0.444725 -0.060246 0.349401 -0.247466 7C 1pz 0.003867 0.002292 0.011933 -0.003542 0.005095 -0.020069 7C 1px -0.005361 0.002873 0.009914 -0.004117 0.005880 -0.003599 7C 1py -0.002342 0.004383 0.004638 0.001629 0.013616 -0.017751 7C 2pz 0.038734 -0.194364 0.157839 0.181988 -0.133761 0.258585 7C 2px -0.105688 0.209895 -0.271740 -0.424538 0.427182 -0.099320 7C 2py -0.009238 -0.039024 0.008061 -0.076599 0.036612 0.138607 7C 3pz -0.005330 -0.071448 0.138047 -0.067313 0.111797 -0.061731 7C 3px 0.066148 -0.016280 0.068105 0.134165 -0.075296 0.080682 7C 3py 0.026101 -0.056638 0.122028 0.006729 0.035055 -0.004698 7C 1dz2 0.000827 0.003966 -0.014950 -0.004929 0.004191 0.002321 7C 1dxz -0.003291 0.012587 -0.004186 0.013339 -0.013615 -0.003730 7C 1dyz -0.000347 -0.000349 0.017266 -0.003199 0.006480 -0.010145 7C 1dx2y2 0.005416 -0.010646 0.028325 0.000000 0.024040 -0.026135 7C 1dxy -0.007637 0.000275 0.027086 0.005280 0.008995 0.007602 7C 2dz2 -0.067327 0.078338 -0.087739 -0.104666 0.181139 0.032727 7C 2dxz 0.118139 -0.218732 0.037086 0.285425 -0.335952 0.186522 7C 2dyz -0.010002 -0.077226 0.179712 -0.033804 0.095746 0.049156 7C 2dx2y2 -0.017845 -0.012935 0.166093 0.003344 0.157787 -0.153923 7C 2dxy 0.119806 -0.193109 0.226552 0.184465 -0.101467 -0.013206 7C 1f0 0.005088 -0.016745 0.018452 0.015486 0.059004 -0.022612 7C 1f+1 -0.006385 -0.013311 0.084880 -0.000597 0.073931 -0.041098 7C 1f-1 0.001314 -0.018193 0.022802 0.015536 -0.000301 0.028054 7C 1f+2 0.004700 0.012497 -0.067258 0.047585 -0.048294 0.014776 7C 1f-2 -0.011879 0.015043 -0.014202 -0.015493 0.028148 0.008434 7C 1f+3 0.009332 -0.000606 0.006364 0.022097 -0.031354 0.037024 7C 1f-3 0.015972 -0.027419 0.094757 0.013075 0.019398 -0.014672 8C 1s -0.000553 -0.000667 -0.001111 0.000997 0.001225 0.001176 8C 2s -0.000577 -0.001706 -0.002552 0.003200 0.002901 0.002704 8C 3s -0.022262 0.071795 0.103478 -0.190042 -0.145024 -0.071015 8C 4s 0.147215 -0.232874 -0.371101 0.742899 0.521314 0.146224 8C 5s -0.002833 0.018190 -0.111179 0.200661 0.333134 0.270833 8C 1pz 0.009359 0.000484 -0.012543 0.026452 0.012210 0.009392 8C 1px -0.019328 -0.023320 -0.020828 0.000040 0.020593 0.009578 8C 1py -0.004865 0.014284 0.019774 -0.045219 -0.038116 -0.022083 8C 2pz -0.123598 -0.045161 0.050110 -0.177739 -0.046112 0.021184 8C 2px 0.163609 0.220251 0.211687 0.002825 -0.196480 -0.019035 8C 2py 0.081005 -0.077160 -0.203717 0.422262 0.288474 0.045916 8C 3pz -0.029118 0.008593 0.008764 -0.078204 -0.045936 -0.055180 8C 3px 0.069737 0.034982 0.053936 0.020080 -0.091800 -0.031317 8C 3py 0.018357 -0.013646 -0.056989 0.118200 0.108349 0.103797 8C 1dz2 -0.011974 -0.006194 -0.015121 -0.002616 0.001388 0.002014 8C 1dxz 0.020167 0.018579 0.000901 0.015574 -0.007009 -0.004988 8C 1dyz 0.015203 0.009478 0.019437 0.003897 -0.001232 0.007712 8C 1dx2y2 0.014278 0.014134 0.000085 0.013063 -0.009428 0.004186 8C 1dxy -0.027547 -0.020637 -0.012952 -0.016257 0.009793 0.007977 8C 2dz2 0.046091 0.048047 0.029373 -0.010439 -0.067963 -0.015733 8C 2dxz -0.008077 0.022901 -0.028628 0.013888 0.000420 -0.011343 8C 2dyz -0.033879 0.040033 0.127464 -0.207459 -0.112999 -0.043258 8C 2dx2y2 -0.099477 -0.041173 -0.049083 -0.100556 -0.017708 0.006150 8C 2dxy 0.089039 0.086713 0.067984 0.057865 -0.075728 0.003601 8C 1f0 -0.001730 -0.000302 0.007586 -0.009834 0.002826 -0.006630 8C 1f+1 0.000387 0.004366 0.026356 -0.024003 -0.008136 0.000952 8C 1f-1 0.002024 0.017237 -0.034551 0.015695 -0.020068 -0.002440 8C 1f+2 0.021253 -0.008434 -0.009204 0.052071 0.020484 0.018898 8C 1f-2 -0.003784 -0.019600 -0.035555 0.032392 0.025724 0.006990 8C 1f+3 0.006196 0.011994 0.014281 -0.015970 -0.023024 -0.008182 8C 1f-3 0.013368 -0.010053 0.004152 0.035972 0.023089 0.008645 9C 1s 0.000036 -0.000161 -0.001437 0.000333 -0.001522 0.002165 9C 2s 0.000043 0.000203 -0.004067 0.000495 -0.003373 0.003764 9C 3s 0.006707 -0.071018 0.223581 -0.008879 0.129006 -0.046612 9C 4s -0.031516 0.350390 -0.836086 0.005756 -0.435353 -0.029180 9C 5s -0.046490 0.137937 -0.287103 0.081191 -0.205765 0.181414 9C 1pz -0.007675 0.019309 -0.051991 0.002125 -0.024199 0.023038 9C 1px 0.010648 -0.014647 -0.011340 0.014664 -0.022721 0.009240 9C 1py 0.003296 0.005561 -0.029664 0.002152 -0.026831 0.016542 9C 2pz 0.081058 -0.242876 0.400730 0.027421 0.182063 0.039742 9C 2px -0.104428 0.120951 0.149828 -0.140145 0.268673 -0.073000 9C 2py -0.070977 -0.081820 0.234252 -0.027607 0.180177 0.058000 9C 3pz 0.025607 -0.058709 0.140554 0.005635 0.071235 -0.066087 9C 3px -0.041671 0.023432 0.009928 -0.060861 0.079735 -0.033340 9C 3py -0.000392 -0.028273 0.084472 -0.025146 0.054592 -0.049811 9C 1dz2 0.014293 -0.009875 -0.003356 0.016296 -0.001212 -0.017858 9C 1dxz -0.014994 0.024495 -0.004091 -0.010600 0.025504 -0.013580 9C 1dyz 0.002790 0.000227 0.002254 -0.003300 -0.009912 -0.018652 9C 1dx2y2 0.002270 -0.005254 -0.001349 0.005345 0.009452 -0.000263 9C 1dxy -0.013168 0.018119 -0.000411 -0.013293 0.012230 -0.003869 9C 2dz2 -0.042691 0.091936 -0.124083 -0.019968 0.020615 -0.025693 9C 2dxz 0.060897 -0.053042 0.043335 0.071596 -0.010158 -0.044048 9C 2dyz 0.020142 0.049434 -0.184223 0.012327 -0.152245 0.033121 9C 2dx2y2 0.051707 -0.062376 -0.017620 0.057640 -0.023896 0.017327 9C 2dxy 0.001102 -0.038119 -0.008762 0.035655 -0.103909 0.041871 9C 1f0 -0.001462 -0.009039 0.042635 -0.015858 -0.026440 0.017862 9C 1f+1 -0.002468 0.000169 0.027770 -0.014562 0.015376 -0.008073 9C 1f-1 0.002264 -0.017555 0.037334 0.001975 0.012650 -0.000680 9C 1f+2 -0.005718 0.014240 -0.044826 -0.016552 -0.043620 0.013714 9C 1f-2 -0.004672 0.003024 0.017301 -0.013678 0.012237 0.007679 9C 1f+3 -0.007636 0.011056 -0.023714 -0.009354 -0.002985 0.013229 9C 1f-3 0.002936 -0.004294 0.015340 0.008610 0.024969 -0.011819 10H 1s -0.004723 -0.005166 -0.038725 0.003163 -0.027928 -0.010048 10H 2s -0.053807 -0.044864 -0.157786 0.057702 -0.153833 -0.092624 10H 3s -0.000376 0.001699 0.037882 0.015182 0.005649 0.015886 10H 1pz -0.024578 -0.023820 -0.027762 0.021492 -0.039899 -0.014036 10H 1px 0.006311 0.005081 0.046785 -0.007599 0.032842 0.020841 10H 1py -0.005917 -0.011474 -0.012851 0.009496 -0.024883 -0.012438 11H 1s -0.005159 -0.001938 0.008071 0.001845 0.024940 0.025821 11H 2s -0.022123 0.032669 0.008896 0.004635 0.094090 0.050018 11H 3s 0.016803 0.004965 0.003304 0.003139 0.001767 -0.005431 11H 1pz -0.004539 0.016330 -0.020461 0.000472 0.014707 0.007343 11H 1px 0.000814 0.008808 0.006329 -0.002652 0.027306 0.016396 11H 1py 0.006989 0.005488 -0.003478 -0.006461 -0.010344 -0.008240 12H 1s 0.012289 0.006879 0.000674 -0.013871 -0.004814 -0.005657 12H 2s 0.102381 0.081619 -0.021960 -0.052400 0.015929 -0.046517 12H 3s -0.006895 -0.004728 0.004055 0.003199 0.001510 0.007456 12H 1pz 0.007422 0.010768 -0.006116 -0.004430 0.006095 0.007572 12H 1px 0.015227 0.013401 0.007686 -0.011965 0.014885 0.003182 12H 1py 0.034665 0.032081 -0.022692 -0.019948 -0.002698 -0.019173 13H 1s 0.003965 -0.025615 -0.024595 0.026543 0.021382 -0.008977 13H 2s 0.073553 -0.134792 -0.106966 0.058786 0.123869 -0.065560 13H 3s 0.010335 0.032401 0.007743 -0.033097 0.008371 0.015764 13H 1pz 0.025568 -0.040437 -0.033105 0.017151 0.034838 -0.017797 13H 1px -0.002543 0.021003 0.014359 -0.021430 -0.020003 0.010569 13H 1py -0.026912 0.032574 0.020841 0.009990 -0.019471 0.006936 14H 1s -0.004701 0.003973 -0.007644 0.017124 -0.003518 -0.005631 14H 2s -0.052316 0.047865 -0.004115 0.119071 0.030779 -0.032418 14H 3s -0.005096 0.009859 0.007729 -0.017906 -0.008022 0.009080 14H 1pz -0.013885 0.004520 -0.010278 0.040643 0.016411 -0.009942 14H 1px -0.023466 0.018938 0.004225 0.036078 0.001605 -0.007863 14H 1py 0.014205 -0.011229 -0.005897 -0.011797 0.002023 -0.006629 15H 1s -0.008538 0.003426 0.024204 -0.016104 -0.012641 0.005668 15H 2s -0.060911 0.037053 0.092056 -0.038546 -0.034023 0.011973 15H 3s 0.006058 0.002260 0.001874 0.001077 0.009241 0.006282 15H 1pz 0.006022 -0.004267 -0.022481 0.016548 0.008509 -0.001573 15H 1px -0.007595 0.008315 0.009798 0.000404 -0.006672 0.001634 15H 1py 0.022913 -0.004347 -0.019843 -0.006837 -0.001142 0.001928 16H 1s -0.002239 0.009364 -0.000212 -0.003815 0.000919 -0.006408 16H 2s -0.001901 0.073156 0.050247 0.030239 0.039090 0.248778 16H 3s 0.001308 0.012556 0.013297 0.003541 0.004036 -0.005106 16H 1pz -0.003361 0.048325 0.021073 0.010218 0.016865 0.105325 16H 1px -0.000206 0.033009 -0.004074 0.005309 0.000495 0.064762 16H 1py 0.000968 -0.021145 0.001089 -0.003238 -0.002375 -0.052105 17H 1s -0.000517 0.004199 -0.000982 0.003359 -0.001060 -0.010351 17H 2s 0.000368 0.075435 -0.002093 0.025377 0.051118 0.241885 17H 3s 0.007092 0.009471 -0.004210 0.005139 0.009310 -0.007486 17H 1pz 0.002810 -0.062708 -0.004888 -0.010567 -0.016965 -0.133713 17H 1px -0.000443 -0.001555 0.006085 -0.010061 -0.012609 -0.011124 17H 1py 0.001875 -0.013833 -0.004108 -0.000843 0.002025 -0.033246 18H 1s -0.000485 -0.004203 0.001340 -0.003216 0.001113 -0.010587 18H 2s 0.000475 -0.075838 -0.000784 -0.026580 -0.051744 0.241983 18H 3s 0.006948 -0.009639 0.004371 -0.005185 -0.009093 -0.007276 18H 1pz -0.002892 -0.062496 -0.005833 -0.011239 -0.017851 0.132909 18H 1px 0.000636 -0.001251 0.006056 -0.010078 -0.012314 0.010294 18H 1py -0.002006 -0.015136 -0.004239 -0.001446 0.001090 0.036341 19H 1s -0.002358 -0.009473 0.000271 0.003848 -0.001025 -0.006181 19H 2s -0.001565 -0.072184 -0.052830 -0.031370 -0.040325 0.246848 19H 3s 0.001473 -0.012328 -0.013147 -0.003745 -0.004146 -0.005343 19H 1pz 0.003337 0.048639 0.021904 0.010828 0.017559 -0.106148 19H 1px 0.000328 0.033208 -0.003704 0.005456 0.000766 -0.065014 19H 1py -0.000913 -0.019867 0.001488 -0.003296 -0.002244 0.049389 20H 1s -0.009016 -0.003385 -0.024257 0.015694 0.012365 0.005516 20H 2s -0.063479 -0.037526 -0.092162 0.036546 0.033114 0.011202 20H 3s 0.006193 -0.002555 -0.001791 -0.000837 -0.009256 0.007026 20H 1pz -0.006417 -0.004153 -0.022376 0.016217 0.008245 0.001416 20H 1px 0.008037 0.008575 0.010163 0.000332 -0.006837 -0.001684 20H 1py -0.023677 -0.004559 -0.019824 -0.007591 -0.001399 -0.002397 21H 1s -0.004446 -0.004147 0.007508 -0.016652 0.004018 -0.005581 21H 2s -0.051484 -0.048812 0.004248 -0.117004 -0.029060 -0.032591 21H 3s -0.005313 -0.009870 -0.007567 0.017683 0.007732 0.009703 21H 1pz 0.013639 0.004700 -0.010411 0.040480 0.016121 0.010230 21H 1px 0.023237 0.019240 0.004283 0.035344 0.001009 0.007868 21H 1py -0.014217 -0.011089 -0.005807 -0.011834 0.001820 0.006583 22H 1s 0.004250 0.025805 0.024654 -0.026786 -0.021433 -0.009468 22H 2s 0.074935 0.135276 0.107996 -0.059409 -0.124018 -0.067470 22H 3s 0.010031 -0.032381 -0.007940 0.033408 -0.008710 0.016326 22H 1pz -0.025951 -0.040239 -0.033129 0.017011 0.034544 0.018196 22H 1px 0.002716 0.021176 0.014645 -0.021893 -0.020188 -0.011167 22H 1py 0.027147 0.032848 0.021086 0.009673 -0.019762 -0.007257 23H 1s 0.012264 -0.006296 -0.001864 0.014057 0.004343 -0.004906 23H 2s 0.102358 -0.079141 0.016869 0.053199 -0.016400 -0.044385 23H 3s -0.006947 0.004078 -0.003652 -0.003353 -0.001356 0.006710 23H 1pz -0.007247 0.010635 -0.006522 -0.004123 0.005775 -0.007343 23H 1px -0.014692 0.012841 0.008390 -0.011767 0.015022 -0.003629 23H 1py -0.034856 0.031311 -0.021033 -0.020401 -0.002540 0.018406 24H 1s -0.005403 0.001356 -0.006930 -0.002056 -0.024714 0.025454 24H 2s -0.023054 -0.036215 -0.003956 -0.004392 -0.093165 0.047575 24H 3s 0.017143 -0.004506 -0.004337 -0.002942 -0.001596 -0.005202 24H 1pz 0.004685 0.017270 -0.021808 0.000249 0.014410 -0.006731 24H 1px -0.000477 0.009572 0.005413 -0.002644 0.027510 -0.016197 24H 1py -0.007106 0.005239 -0.002597 -0.006577 -0.009484 0.007671 25H 1s -0.004574 0.005353 0.038998 -0.003072 0.028017 -0.009763 25H 2s -0.052955 0.045399 0.158219 -0.056644 0.155539 -0.091276 25H 3s -0.000381 -0.001914 -0.037969 -0.015695 -0.005476 0.015480 25H 1pz 0.024462 -0.023991 -0.028425 0.021398 -0.040545 0.013891 25H 1px -0.006044 0.005222 0.046797 -0.007227 0.033145 -0.020444 25H 1py 0.005731 -0.011860 -0.011806 0.009339 -0.024585 0.011793 26O 1s -0.000824 -0.001431 -0.000107 0.000154 -0.000486 0.000401 26O 2s -0.003181 -0.005679 0.002412 0.002030 -0.001751 0.001850 26O 3s 0.043116 0.081990 -0.099713 -0.049914 0.009559 -0.032856 26O 4s -0.163913 -0.288165 0.475725 0.254473 -0.044118 0.115380 26O 5s 0.021658 -0.177401 0.410322 0.056868 0.073978 0.181882 26O 1pz 0.011845 0.015936 0.014640 0.006798 0.009252 0.003094 26O 1px -0.004397 -0.014304 0.020394 0.024193 -0.017404 0.001103 26O 1py 0.001530 0.009317 0.017378 0.011093 -0.001393 0.003612 26O 2pz -0.037933 -0.056351 -0.067814 -0.008825 -0.046091 -0.026785 26O 2px 0.067565 0.155090 -0.324929 -0.173912 0.038453 -0.055025 26O 2py 0.007209 0.011351 -0.160894 -0.071926 -0.018079 -0.032951 26O 3pz 0.020785 0.010065 -0.014579 0.045762 -0.090725 -0.089162 26O 3px 0.031429 0.105221 -0.223155 -0.060340 -0.062900 -0.209943 26O 3py -0.008017 0.066357 -0.109932 0.023585 -0.054363 -0.094959 26O 1dz2 -0.006118 0.002263 0.019175 -0.017550 0.016253 0.005932 26O 1dxz -0.007324 -0.001016 -0.001488 -0.008421 -0.007443 -0.009669 26O 1dyz 0.011322 0.010870 0.006505 -0.018035 0.031707 0.018485 26O 1dx2y2 -0.004261 0.007987 -0.011257 -0.005638 -0.016793 -0.014074 26O 1dxy 0.006365 0.010111 -0.017321 -0.004927 0.004964 0.004926 26O 2dz2 0.009799 0.024369 -0.065602 -0.026531 -0.004264 -0.015265 26O 2dxz 0.009286 0.014747 0.009476 -0.008870 0.015745 0.007221 26O 2dyz 0.003909 0.005923 -0.000386 -0.008390 0.009888 0.004866 26O 2dx2y2 -0.018304 -0.039446 0.078302 0.033771 0.000383 0.019137 26O 2dxy -0.002393 -0.020947 0.074870 0.022345 0.014210 0.014720 26O 1f0 -0.116464 -0.029192 0.077426 -0.070663 -0.132177 -0.026357 26O 1f+1 -0.028762 -0.098093 -0.082997 0.092296 -0.203494 -0.076616 26O 1f-1 0.164028 0.183191 0.239344 -0.197837 0.415801 0.220009 26O 1f+2 -0.001400 0.070549 0.010198 -0.088432 -0.002173 0.013380 26O 1f-2 -0.098390 -0.026124 0.003001 -0.006099 -0.095713 -0.047270 26O 1f+3 0.048689 0.086377 0.040103 -0.083371 0.103404 0.020766 26O 1f-3 -0.046293 0.001928 -0.075121 0.022740 -0.035856 -0.042871 27O 1s 0.001659 -0.001580 -0.000162 -0.000510 -0.000160 0.000384 27O 2s 0.006383 -0.004846 -0.000583 -0.004921 -0.000719 0.002754 27O 3s -0.085158 0.037419 -0.002036 0.131999 0.024131 -0.063961 27O 4s 0.319685 -0.091837 -0.008853 -0.612105 -0.075812 0.262729 27O 5s -0.080036 0.127264 0.078110 -0.398593 -0.149594 0.311564 27O 1pz -0.014145 0.014649 0.003266 0.000832 0.000452 0.004717 27O 1px 0.005580 0.000613 -0.010051 -0.036987 0.013848 0.016009 27O 1py 0.017578 -0.022521 -0.005757 0.012537 -0.001222 -0.012276 27O 2pz 0.059495 -0.055522 -0.025227 -0.031819 0.000199 -0.009233 27O 2px -0.119447 -0.025285 0.003168 0.425584 0.023898 -0.197478 27O 2py -0.050865 0.088372 0.031963 -0.084989 -0.022245 0.078561 27O 3pz -0.012065 0.021629 -0.006999 -0.033953 0.067438 0.045395 27O 3px -0.035668 0.027011 -0.045204 0.239454 0.117514 -0.168534 27O 3py 0.014818 -0.036597 0.054219 -0.011477 -0.084107 0.012807 27O 1dz2 0.014327 -0.004539 0.003203 -0.015839 0.004921 0.000732 27O 1dxz 0.003159 0.000797 0.011926 0.000969 0.002687 0.005528 27O 1dyz 0.016608 -0.019914 -0.028364 -0.009540 0.017835 -0.011813 27O 1dx2y2 0.003437 -0.008939 -0.010459 0.014511 0.028320 -0.003431 27O 1dxy 0.005870 -0.008511 -0.001647 -0.012449 0.009520 0.002586 27O 2dz2 -0.013127 -0.010477 -0.009949 0.063797 0.017014 -0.034438 27O 2dxz -0.017505 0.015586 0.008104 0.029957 -0.002507 -0.001898 27O 2dyz -0.001381 -0.001422 -0.002216 -0.010103 0.001507 -0.000183 27O 2dx2y2 0.027889 0.009458 0.008666 -0.115235 -0.019510 0.051609 27O 2dxy 0.012781 -0.026562 -0.017685 0.023566 0.018581 -0.033817 27O 1f0 0.342125 -0.318829 -0.224067 -0.039087 0.310931 -0.083003 27O 1f+1 -0.022148 -0.024807 -0.026051 0.028886 0.022119 -0.036895 27O 1f-1 -0.003979 0.004808 -0.216610 0.007324 -0.038925 0.041653 27O 1f+2 0.209699 -0.190009 -0.180426 0.039692 0.214652 -0.065003 27O 1f-2 -0.119827 0.123152 0.060906 0.072287 -0.084959 0.053197 27O 1f+3 0.003694 0.005779 0.018138 0.015631 0.016131 0.004104 27O 1f-3 -0.035227 0.001633 0.069554 0.031924 0.026166 -0.023165 28O 1s 0.001004 0.001653 0.000014 -0.000169 0.001173 0.000304 28O 2s 0.003828 0.005794 0.000606 -0.002516 0.006590 0.002152 28O 3s -0.049157 -0.062339 -0.037693 0.067184 -0.136251 -0.053125 28O 4s 0.182239 0.207721 0.155760 -0.334098 0.578844 0.231976 28O 5s -0.033102 0.045051 0.193231 -0.172116 0.360554 0.387544 28O 1pz -0.005212 -0.011802 0.000728 -0.024122 0.022107 0.013863 28O 1px -0.013203 -0.021095 0.011649 0.022989 -0.025745 -0.007894 28O 1py -0.003948 -0.012140 0.001991 -0.006430 0.004700 0.004846 28O 2pz -0.011983 0.019445 -0.086291 0.165187 -0.232704 -0.143661 28O 2px 0.083206 0.100057 0.053988 -0.198217 0.303119 0.132530 28O 2py 0.018062 0.043361 -0.022761 0.019138 -0.035003 -0.041621 28O 3pz -0.033340 -0.065420 -0.120011 0.001931 -0.153104 -0.044065 28O 3px -0.007793 0.040737 0.091495 -0.097513 0.183891 0.170816 28O 3py 0.011127 0.000908 -0.061203 -0.021230 0.007557 0.012395 28O 1dz2 0.004616 -0.009875 0.021035 -0.000517 -0.015278 0.011208 28O 1dxz 0.001707 -0.005635 0.023521 -0.001899 0.011139 0.009771 28O 1dyz -0.017596 -0.022395 0.020531 0.025265 -0.002047 0.011547 28O 1dx2y2 0.003116 -0.000434 -0.008931 -0.002474 -0.011500 -0.005317 28O 1dxy -0.003814 -0.010067 0.015821 0.001056 -0.005872 0.010348 28O 2dz2 -0.006961 -0.015050 0.008155 0.005750 -0.003291 0.011035 28O 2dxz -0.009441 -0.003116 -0.044222 0.054352 -0.097926 -0.050490 28O 2dyz -0.005151 -0.008376 0.008213 0.005678 0.000836 0.011585 28O 2dx2y2 0.012984 0.013720 0.025266 -0.042322 0.068877 0.027963 28O 2dxy 0.007688 0.009478 -0.008772 0.000937 -0.007839 -0.012026 28O 1f0 0.045087 0.069027 -0.049873 -0.073998 -0.062775 -0.108547 28O 1f+1 0.074693 0.056171 0.028001 -0.089379 -0.037570 -0.043512 28O 1f-1 -0.068640 -0.172594 0.288451 0.034489 -0.006350 0.073358 28O 1f+2 0.117195 0.056917 0.033525 -0.120246 -0.084002 -0.076710 28O 1f-2 -0.112030 -0.223068 0.280277 0.094060 -0.018687 0.088102 28O 1f+3 -0.102657 -0.000142 -0.037950 0.059814 0.114821 0.042978 28O 1f-3 0.146292 0.236792 -0.240859 -0.101283 0.086908 -0.059614 29O 1s 0.000100 0.000477 0.000187 0.000338 0.000538 0.002345 29O 2s 0.000351 0.000653 0.000423 0.000867 0.001366 0.006393 29O 3s -0.004051 0.012857 0.000304 -0.003167 -0.004462 -0.034026 29O 4s 0.009416 -0.071813 -0.008225 -0.001669 -0.004702 0.086563 29O 5s -0.003728 0.011428 -0.023526 -0.034959 -0.059998 -0.568524 29O 1pz 0.000830 -0.010864 -0.004225 0.001184 -0.003667 -0.012770 29O 1px -0.001268 0.022561 0.001926 0.005510 0.006933 0.024732 29O 1py 0.002876 -0.004460 -0.001373 -0.002661 -0.003647 -0.017416 29O 2pz -0.003484 0.034859 0.024858 -0.002216 0.010364 0.055649 29O 2px 0.003151 -0.065595 -0.004088 -0.018934 -0.025896 -0.104999 29O 2py -0.007789 0.034425 0.008494 0.013546 0.020670 0.094630 29O 3pz 0.001018 0.021078 0.028400 0.009568 0.001623 0.003543 29O 3px -0.003064 -0.059891 0.000064 -0.004440 -0.010678 0.051176 29O 3py -0.000019 0.062552 0.012196 0.020396 0.036091 0.198996 29O 1dz2 -0.001708 0.020672 0.005828 -0.000666 0.000170 0.055520 29O 1dxz 0.000033 0.007603 -0.007712 0.002717 -0.005155 0.035762 29O 1dyz 0.001285 -0.016397 -0.005909 0.001466 0.000759 -0.032152 29O 1dx2y2 -0.001311 0.023782 0.000452 0.007545 0.008586 0.021386 29O 1dxy -0.000183 0.026541 0.000096 0.000064 -0.003282 0.048347 29O 2dz2 0.000308 0.002259 -0.005600 -0.001078 -0.003858 0.011803 29O 2dxz -0.000291 -0.001399 0.000064 -0.002908 -0.006760 0.005866 29O 2dyz 0.001037 -0.011572 -0.011498 0.000966 -0.000869 -0.020771 29O 2dx2y2 -0.001563 0.015728 0.003720 0.004975 0.007611 0.016579 29O 2dxy 0.000974 0.020151 -0.000258 0.005377 0.007287 0.037337 29O 1f0 0.006833 -0.053926 -0.012845 -0.018354 -0.020429 -0.094511 29O 1f+1 -0.006141 0.058347 0.007673 0.006276 0.023390 0.099581 29O 1f-1 -0.004374 0.013595 0.005465 0.016014 0.022667 -0.012347 29O 1f+2 -0.000438 -0.050213 -0.000665 0.013100 0.017747 -0.148009 29O 1f-2 0.005525 -0.099420 -0.008880 -0.016441 -0.015427 -0.211488 29O 1f+3 0.013095 -0.217417 -0.017592 -0.024106 -0.011376 -0.464732 29O 1f-3 0.008780 -0.127412 -0.025619 -0.031788 -0.046649 -0.230367 30O 1s -0.002059 0.001292 0.000589 0.001033 -0.000179 0.000651 30O 2s -0.008048 0.005013 0.003950 0.004212 -0.003058 0.002726 30O 3s 0.108114 -0.073743 -0.091335 -0.044313 0.094543 -0.041936 30O 4s -0.404265 0.270845 0.398682 0.174584 -0.443238 0.142080 30O 5s 0.041519 0.205834 0.291550 -0.033128 -0.267360 0.003384 30O 1pz 0.001531 -0.001030 0.012367 0.011978 -0.018727 0.002538 30O 1px 0.022137 -0.018350 -0.014943 -0.029522 0.010638 0.000922 30O 1py -0.007939 0.006740 -0.013921 -0.006255 0.024661 -0.004792 30O 2pz 0.054736 -0.049411 -0.138706 -0.036869 0.164576 -0.032177 30O 2px -0.168295 0.143136 0.197478 0.116434 -0.207272 0.026608 30O 2py -0.030760 0.032231 0.137562 0.012895 -0.194878 0.035475 30O 3pz 0.047353 -0.057801 -0.065985 0.054159 0.109174 -0.157701 30O 3px -0.028930 0.080074 0.138498 0.023009 -0.146340 0.080761 30O 3py -0.056490 0.062199 0.098870 -0.071281 -0.077599 0.160016 30O 1dz2 -0.015461 0.001775 0.019381 0.010231 0.007512 -0.017434 30O 1dxz -0.003867 0.007825 0.007425 -0.014535 -0.011163 0.004127 30O 1dyz -0.016331 0.012505 0.002587 0.030704 -0.009728 -0.002339 30O 1dx2y2 -0.005083 -0.005887 0.006812 0.015872 0.006216 -0.004635 30O 1dxy -0.009694 0.001757 -0.008316 0.029610 0.010070 -0.004016 30O 2dz2 0.011862 -0.010647 -0.016408 -0.003634 0.019275 -0.003373 30O 2dxz 0.027302 -0.028550 -0.053971 -0.007405 0.063202 -0.018519 30O 2dyz 0.007560 -0.007823 -0.028048 0.009159 0.035351 -0.010562 30O 2dx2y2 -0.026916 0.027746 0.032569 0.018223 -0.032042 0.005797 30O 2dxy -0.020643 0.023797 0.054121 0.002719 -0.067579 0.014761 30O 1f0 -0.115572 0.053567 -0.074785 0.261714 0.088370 -0.034044 30O 1f+1 -0.229592 0.074281 0.088447 0.285787 0.091966 -0.066924 30O 1f-1 0.094092 0.026494 -0.109151 -0.060721 -0.085587 0.008235 30O 1f+2 -0.227938 0.057368 0.066424 0.233929 0.074330 -0.055605 30O 1f-2 -0.139732 0.113597 -0.072366 0.278896 0.015696 -0.032657 30O 1f+3 0.049180 0.073029 -0.046948 -0.033615 -0.096663 0.047409 30O 1f-3 0.186510 -0.094750 0.011559 -0.253669 -0.031547 0.062305 31O 1s -0.002057 -0.001299 -0.000592 -0.001038 0.000181 0.000632 31O 2s -0.008041 -0.005054 -0.003964 -0.004231 0.003062 0.002632 31O 3s 0.108164 0.074479 0.091523 0.044585 -0.094547 -0.040561 31O 4s -0.405049 -0.273223 -0.399145 -0.175393 0.443259 0.137793 31O 5s 0.040966 -0.212051 -0.293425 0.032355 0.266706 -0.002428 31O 1pz -0.001457 -0.000785 0.012408 0.012055 -0.018696 -0.002306 31O 1px -0.022143 -0.018545 -0.014945 -0.029636 0.010629 -0.001534 31O 1py 0.007967 0.006605 -0.013946 -0.006287 0.024689 0.004917 31O 2pz -0.055229 -0.050793 -0.139045 -0.037210 0.164544 0.030486 31O 2px 0.168539 0.144663 0.197561 0.116833 -0.207244 -0.023242 31O 2py 0.030936 0.033403 0.137784 0.013089 -0.194899 -0.035019 31O 3pz -0.047746 -0.058478 -0.067256 0.053313 0.108700 0.160464 31O 3px 0.028669 0.082028 0.139446 0.023199 -0.145912 -0.079556 31O 3py 0.057158 0.063647 0.099681 -0.070346 -0.077004 -0.161494 31O 1dz2 -0.015439 -0.001805 -0.019281 -0.010197 -0.007505 -0.017778 31O 1dxz -0.003829 -0.007641 -0.007431 0.014559 0.011173 0.004191 31O 1dyz -0.016381 -0.012399 -0.002444 -0.030744 0.009744 -0.002269 31O 1dx2y2 -0.004948 0.005790 -0.006765 -0.015931 -0.006218 -0.004915 31O 1dxy -0.009626 -0.001820 0.008382 -0.029615 -0.009999 -0.004260 31O 2dz2 0.011824 0.010748 0.016368 0.003629 -0.019239 -0.003273 31O 2dxz 0.027423 0.029000 0.054097 0.007513 -0.063213 -0.018071 31O 2dyz 0.007518 0.008298 0.028194 -0.009049 -0.035290 -0.009790 31O 2dx2y2 -0.026954 -0.027807 -0.032540 -0.018227 0.032076 0.005734 31O 2dxy -0.020731 -0.024297 -0.054141 -0.002814 0.067557 0.014409 31O 1f0 0.114673 0.053997 -0.075686 0.261674 0.088087 0.035333 31O 1f+1 0.229744 0.074945 0.087550 0.286110 0.092083 0.069483 31O 1f-1 -0.095462 0.026278 -0.109117 -0.061490 -0.086131 -0.009508 31O 1f+2 0.227584 0.057777 0.065813 0.234337 0.074328 0.057700 31O 1f-2 0.138297 0.113880 -0.073355 0.278702 0.015138 0.033903 31O 1f+3 -0.049483 0.072595 -0.046750 -0.034094 -0.097036 -0.048304 31O 1f-3 -0.185550 -0.094931 0.012344 -0.253675 -0.030993 -0.063891 32O 1s 0.000101 -0.000468 -0.000212 -0.000351 -0.000547 0.002316 32O 2s 0.000353 -0.000629 -0.000491 -0.000904 -0.001389 0.006315 32O 3s -0.004052 -0.013037 0.000081 0.003414 0.004576 -0.033487 32O 4s 0.009451 0.072159 0.007293 0.001032 0.004322 0.085687 32O 5s -0.004233 -0.012194 0.029345 0.037895 0.062424 -0.565924 32O 1pz -0.000892 -0.010648 -0.004362 0.001189 -0.003721 0.012267 32O 1px 0.001314 0.022654 0.002148 0.005561 0.007082 -0.024663 32O 1py -0.002832 -0.004488 -0.001460 -0.002712 -0.003777 0.017406 32O 2pz 0.003597 0.033432 0.025322 -0.002328 0.010449 -0.052540 32O 2px -0.003233 -0.066125 -0.005222 -0.019323 -0.026478 0.105352 32O 2py 0.007663 0.034570 0.009608 0.013855 0.021135 -0.094602 32O 3pz -0.001257 0.018875 0.027951 0.009221 0.001156 0.001263 32O 3px 0.002871 -0.060764 0.000318 -0.004437 -0.010537 -0.049044 32O 3py 0.000178 0.062439 0.014724 0.021578 0.036906 -0.198813 32O 1dz2 -0.001827 -0.021200 -0.006377 0.000285 -0.000577 0.056921 32O 1dxz 0.000012 -0.007153 0.007487 -0.002837 0.004957 0.034774 32O 1dyz 0.001222 0.014834 0.006052 -0.001455 -0.000650 -0.029139 32O 1dx2y2 -0.001335 -0.023670 -0.000668 -0.007645 -0.008708 0.020997 32O 1dxy -0.000319 -0.027146 -0.000518 -0.000375 0.002932 0.049531 32O 2dz2 0.000192 -0.002838 0.005203 0.001017 0.003755 0.012998 32O 2dxz -0.000357 0.001757 -0.000225 0.002995 0.006729 0.005253 32O 2dyz 0.001043 0.010879 0.011817 -0.000929 0.001128 -0.019524 32O 2dx2y2 -0.001575 -0.015608 -0.003988 -0.005002 -0.007644 0.016211 32O 2dxy 0.000933 -0.020554 -0.000220 -0.005512 -0.007392 0.037881 32O 1f0 -0.006829 -0.053377 -0.012824 -0.020069 -0.022124 0.092044 32O 1f+1 0.006466 0.061693 0.008262 0.008094 0.024965 -0.106163 32O 1f-1 0.003727 0.008138 0.003426 0.015738 0.022114 0.024266 32O 1f+2 -0.000301 -0.052240 -0.003500 0.011535 0.014674 0.149881 32O 1f-2 -0.005016 -0.091480 -0.009368 -0.016244 -0.015115 0.195704 32O 1f+3 -0.013633 -0.217565 -0.020626 -0.026042 -0.013665 0.466749 32O 1f-3 -0.008967 -0.131058 -0.026575 -0.034549 -0.049129 0.236562 33O 1s 0.000999 -0.001669 -0.000013 0.000176 -0.001187 0.000328 33O 2s 0.003804 -0.005843 -0.000603 0.002535 -0.006647 0.002260 33O 3s -0.048724 0.062767 0.037722 -0.067310 0.137105 -0.054593 33O 4s 0.180815 -0.209237 -0.156000 0.334338 -0.581918 0.235443 33O 5s -0.034992 -0.040334 -0.193362 0.170360 -0.362431 0.398692 33O 1pz 0.005207 -0.011940 0.000837 -0.024080 0.022211 -0.014037 33O 1px 0.013053 -0.021177 0.011659 0.023035 -0.025906 0.008440 33O 1py 0.004050 -0.012208 0.002049 -0.006382 0.004778 -0.004837 33O 2pz 0.011448 0.020041 -0.086599 0.164686 -0.233668 0.145410 33O 2px -0.082113 0.100190 0.054240 -0.198197 0.304763 -0.136003 33O 2py -0.018218 0.043585 -0.023150 0.019061 -0.035690 0.041955 33O 3pz 0.033048 -0.066049 -0.119875 0.002119 -0.153448 0.042546 33O 3px 0.008403 0.039916 0.092105 -0.096949 0.185087 -0.173618 33O 3py -0.010358 -0.000242 -0.061258 -0.020635 0.007019 -0.014290 33O 1dz2 0.004772 0.009888 -0.021131 0.000496 0.015173 0.011330 33O 1dxz 0.001724 0.005420 -0.023470 0.001829 -0.011244 0.009411 33O 1dyz -0.017698 0.022466 -0.020573 -0.025399 0.002034 0.011522 33O 1dx2y2 0.003206 0.000476 0.009031 0.002610 0.011526 -0.005148 33O 1dxy -0.003791 0.010155 -0.016048 -0.001149 0.005812 0.010332 33O 2dz2 -0.007026 0.015269 -0.007998 -0.005883 0.003444 0.011274 33O 2dxz -0.009085 0.002817 0.044260 -0.054197 0.098272 -0.051490 33O 2dyz -0.005173 0.008555 -0.008297 -0.005665 -0.001024 0.012246 33O 2dx2y2 0.012763 -0.013750 -0.025367 0.042321 -0.069272 0.028554 33O 2dxy 0.007621 -0.009574 0.008905 -0.001008 0.008088 -0.012275 33O 1f0 -0.046376 0.069319 -0.050720 -0.075336 -0.063091 0.108291 33O 1f+1 -0.076592 0.056314 0.028194 -0.090289 -0.037385 0.042894 33O 1f-1 0.066924 -0.172866 0.289466 0.034714 -0.006454 -0.071388 33O 1f+2 -0.120330 0.056873 0.033314 -0.121582 -0.084032 0.075739 33O 1f-2 0.111115 -0.223432 0.280888 0.094806 -0.018795 -0.086275 33O 1f+3 0.105625 0.000440 -0.038317 0.060706 0.115001 -0.042207 33O 1f-3 -0.145383 0.237212 -0.241345 -0.101755 0.086838 0.058252 34O 1s 0.001660 0.001569 0.000151 0.000500 0.000154 0.000434 34O 2s 0.006372 0.004791 0.000536 0.004877 0.000692 0.002984 34O 3s -0.084631 -0.036490 0.002825 -0.131309 -0.023731 -0.067812 34O 4s 0.317108 0.088836 0.006030 0.609560 0.074489 0.275884 34O 5s -0.083681 -0.133739 -0.082750 0.396853 0.148440 0.328811 34O 1pz 0.014189 0.014649 0.003228 0.000863 0.000444 -0.004453 34O 1px -0.005370 0.000859 -0.009894 -0.036827 0.013888 -0.016702 34O 1py -0.017730 -0.022631 -0.005808 0.012450 -0.001268 0.012271 34O 2pz -0.059619 -0.055534 -0.025087 -0.031945 0.000228 0.007895 34O 2px 0.117228 -0.027702 0.001208 0.424015 0.023209 0.206290 34O 2py 0.051885 0.089158 0.032562 -0.084455 -0.021996 -0.080095 34O 3pz 0.012655 0.022040 -0.006291 -0.033725 0.067862 -0.045934 34O 3px 0.034653 0.025022 -0.047086 0.238449 0.116998 0.175238 34O 3py -0.015104 -0.037060 0.054178 -0.011439 -0.084455 -0.011858 34O 1dz2 0.014212 0.004583 -0.003240 0.015884 -0.004956 0.000528 34O 1dxz 0.003059 -0.000753 -0.011960 -0.000968 -0.002761 0.005385 34O 1dyz 0.016750 0.019907 0.028445 0.009479 -0.017772 -0.011682 34O 1dx2y2 0.003461 0.008771 0.010511 -0.014592 -0.028435 -0.003604 34O 1dxy 0.005859 0.008579 0.001675 0.012459 -0.009538 0.002471 34O 2dz2 -0.012767 0.010983 0.010285 -0.063539 -0.016900 -0.036153 34O 2dxz -0.017440 -0.015647 -0.008075 -0.030011 0.002497 -0.002173 34O 2dyz -0.001435 0.001471 0.002242 0.010106 -0.001477 -0.000393 34O 2dx2y2 0.027395 -0.010076 -0.009122 0.114875 0.019318 0.053810 34O 2dxy 0.013212 0.027100 0.018042 -0.023302 -0.018435 -0.035298 34O 1f0 -0.343123 -0.317466 -0.224792 -0.038736 0.311247 0.082854 34O 1f+1 0.021318 -0.025096 -0.026349 0.028925 0.022151 0.037083 34O 1f-1 0.002230 0.003523 -0.216091 0.007842 -0.040016 -0.043053 34O 1f+2 -0.210773 -0.188990 -0.181046 0.040015 0.214594 0.065260 34O 1f-2 0.120140 0.122825 0.061203 0.072356 -0.085163 -0.052896 34O 1f+3 -0.003032 0.005950 0.018173 0.015604 0.016204 -0.003629 34O 1f-3 0.035600 0.002061 0.069350 0.031785 0.026474 0.023802 35O 1s -0.000818 0.001436 0.000098 -0.000156 0.000477 0.000374 35O 2s -0.003153 0.005710 -0.002444 -0.002040 0.001712 0.001708 35O 3s 0.042658 -0.082559 0.100117 0.050120 -0.008935 -0.030231 35O 4s -0.162122 0.289934 -0.476877 -0.255231 0.042121 0.105648 35O 5s 0.024125 0.182099 -0.409472 -0.057681 -0.076336 0.173804 35O 1pz -0.011858 0.016065 0.014577 0.006766 0.009347 -0.003010 35O 1px 0.004223 -0.014469 0.020335 0.024168 -0.017330 -0.000541 35O 1py -0.001592 0.009322 0.017456 0.011079 -0.001264 -0.003551 35O 2pz 0.038059 -0.056918 -0.067521 -0.008749 -0.046635 0.026154 35O 2px -0.066286 0.156497 -0.324931 -0.174229 0.037363 0.049021 35O 2py -0.006626 0.011725 -0.161431 -0.072019 -0.018947 0.030871 35O 3pz -0.021349 0.010263 -0.016053 0.045569 -0.091590 0.089551 35O 3px -0.030575 0.107432 -0.224681 -0.061319 -0.064660 0.205438 35O 3py 0.008090 0.067846 -0.111109 0.023058 -0.055321 0.092935 35O 1dz2 -0.006328 -0.002403 -0.019127 0.017405 -0.016321 0.005810 35O 1dxz -0.007360 0.000991 0.001548 0.008467 0.007442 -0.009528 35O 1dyz 0.011378 -0.010993 -0.006621 0.018043 -0.031895 0.018432 35O 1dx2y2 -0.004291 -0.007861 0.011333 0.005767 0.016866 -0.014160 35O 1dxy 0.006290 -0.010066 0.017380 0.004876 -0.004873 0.004872 35O 2dz2 0.009624 -0.024631 0.065749 0.026594 0.004539 -0.014351 35O 2dxz 0.009310 -0.014858 -0.009388 0.008899 -0.015948 0.006875 35O 2dyz 0.003961 -0.005892 0.000410 0.008391 -0.009982 0.004521 35O 2dx2y2 -0.018163 0.039791 -0.078260 -0.033915 -0.000614 0.017891 35O 2dxy -0.002119 0.021401 -0.075151 -0.022442 -0.014591 0.013323 35O 1f0 0.117178 -0.029596 0.076821 -0.070101 -0.133215 0.026372 35O 1f+1 0.027270 -0.099512 -0.082508 0.091857 -0.204260 0.074925 35O 1f-1 -0.163453 0.185871 0.239884 -0.197253 0.417275 -0.216737 35O 1f+2 0.001746 0.070748 0.009910 -0.088092 -0.002372 -0.013549 35O 1f-2 0.099409 -0.026372 0.002295 -0.005863 -0.096485 0.047150 35O 1f+3 -0.048550 0.087150 0.040113 -0.083543 0.103835 -0.020106 35O 1f-3 0.047139 0.002007 -0.075812 0.022688 -0.036242 0.042601 630 631 632 633 634 635 5.22942 5.23054 5.26568 5.27697 5.30538 5.30952 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s 0.000178 -0.000087 -0.000525 0.001443 0.000070 -0.000029 0Rh 2s -0.000999 0.000478 0.003052 -0.012948 -0.000416 0.000374 0Rh 3s 0.000482 -0.000241 -0.001371 0.000999 0.000176 0.000050 0Rh 4s 0.006276 -0.003049 -0.019757 0.077131 0.002583 -0.002148 0Rh 5s -0.016173 0.008227 0.057586 -0.199791 -0.006496 0.005395 0Rh 6s 0.017663 -0.010273 -0.088543 0.235862 0.006399 -0.006093 0Rh 7s -0.065732 0.030723 0.266190 -0.439493 -0.016090 0.015954 0Rh 8s 0.022915 -0.007930 -0.087504 -0.268260 -0.000761 0.001641 0Rh 1pz -0.003616 -0.000131 -0.003531 0.001839 -0.000065 0.021946 0Rh 1px 0.004287 -0.001649 0.012295 -0.006377 -0.000887 0.007998 0Rh 1py 0.001000 0.001558 0.006698 0.006390 0.001215 -0.002227 0Rh 2pz 0.014821 0.000519 0.014292 -0.007319 0.000267 -0.090341 0Rh 2px -0.017676 0.006822 -0.049901 0.025495 0.003656 -0.032931 0Rh 2py -0.004123 -0.006382 -0.027417 -0.026243 -0.004984 0.009167 0Rh 3pz -0.044693 -0.001189 -0.039094 0.017556 -0.000760 0.279120 0Rh 3px 0.055423 -0.021841 0.139292 -0.063611 -0.011393 0.101842 0Rh 3py 0.012931 0.019093 0.081577 0.079883 0.015109 -0.028293 0Rh 4pz 0.052256 0.000113 0.031786 -0.006239 0.000612 -0.342476 0Rh 4px -0.071329 0.029441 -0.122860 0.032751 0.014299 -0.125161 0Rh 4py -0.016712 -0.021352 -0.090086 -0.093244 -0.017737 0.034501 0Rh 5pz -0.026413 0.002265 0.009092 -0.019214 0.000762 0.192716 0Rh 5px 0.048508 -0.020793 -0.012827 0.044284 -0.008881 0.069312 0Rh 5py 0.010778 0.007338 0.029155 0.028277 0.008447 -0.018675 0Rh 6pz 0.051880 -0.000828 0.025996 -0.088306 -0.013912 -0.381167 0Rh 6px -0.071669 0.011916 -0.063227 0.470814 0.031681 -0.109458 0Rh 6py 0.046617 -0.006698 0.160237 0.447531 -0.015343 0.020559 0Rh 1dz2 -0.002375 -0.010982 -0.018424 -0.008724 0.000193 0.000449 0Rh 1dxz 0.003596 -0.003480 -0.025942 -0.013572 0.000489 0.002456 0Rh 1dyz -0.017360 -0.008544 -0.004847 -0.000529 0.000026 -0.001020 0Rh 1dx2y2 -0.003649 -0.000628 0.041139 0.023331 -0.000204 -0.001685 0Rh 1dxy -0.008966 -0.003322 0.014032 0.004369 -0.000581 -0.000958 0Rh 2dz2 0.004379 0.000310 0.002739 -0.000167 -0.000055 -0.000230 0Rh 2dxz 0.000036 -0.000983 0.003604 0.000040 -0.000065 -0.000055 0Rh 2dyz 0.007592 0.006798 0.000566 0.000018 -0.000059 0.000112 0Rh 2dx2y2 0.003036 -0.001388 -0.005311 -0.000819 0.000112 0.000408 0Rh 2dxy 0.003806 0.001800 -0.001863 0.000181 0.000112 0.000219 0Rh 3dz2 -0.009502 0.049363 0.073480 0.042038 -0.000648 -0.001009 0Rh 3dxz -0.016877 0.020746 0.104776 0.064073 -0.002011 -0.011346 0Rh 3dyz 0.044776 0.007783 0.020036 0.002430 0.000177 0.004337 0Rh 3dx2y2 0.002870 0.009172 -0.167808 -0.106419 0.000456 0.006046 0Rh 3dxy 0.023833 0.006893 -0.057077 -0.021633 0.002225 0.003518 0Rh 4dz2 0.040849 -0.088904 -0.128996 -0.088216 0.000989 0.000667 0Rh 4dxz 0.031842 -0.043694 -0.185619 -0.133118 0.003724 0.022023 0Rh 4dyz -0.041138 0.021649 -0.035763 -0.005430 -0.000793 -0.008358 0Rh 4dx2y2 0.009035 -0.021623 0.298654 0.215799 -0.000575 -0.010086 0Rh 4dxy -0.024838 -0.002343 0.101541 0.047431 -0.003927 -0.006014 0Rh 5dz2 -0.132410 0.079768 0.127654 0.188676 -0.000970 0.003818 0Rh 5dxz -0.034393 0.065208 0.188508 0.279747 -0.004995 -0.030143 0Rh 5dyz -0.125182 -0.164006 0.036838 0.017686 0.001836 0.007798 0Rh 5dx2y2 -0.061023 0.030881 -0.307943 -0.429188 0.000664 0.006270 0Rh 5dxy -0.048320 -0.041321 -0.109001 -0.118202 0.004085 0.004366 0Rh 1f0 -0.001306 -0.000303 -0.009035 0.010517 -0.000433 -0.009630 0Rh 1f+1 0.002786 0.001191 0.008812 -0.006655 -0.000051 -0.009847 0Rh 1f-1 0.000145 -0.002202 0.005505 0.002065 -0.000223 0.007125 0Rh 1f+2 -0.001516 -0.000211 0.015886 -0.009794 0.000080 -0.004957 0Rh 1f-2 0.004240 0.004533 0.007163 -0.002053 -0.000505 0.002601 0Rh 1f+3 -0.001386 0.002117 0.016826 -0.014242 0.000537 0.001130 0Rh 1f-3 -0.002541 -0.000700 0.007645 -0.009377 -0.000249 -0.002811 1Rh 1s 0.000175 -0.000087 -0.000532 -0.001438 -0.000070 -0.000022 1Rh 2s -0.000961 0.000494 0.003107 0.012915 0.000410 0.000299 1Rh 3s 0.000483 -0.000235 -0.001375 -0.000988 -0.000177 0.000047 1Rh 4s 0.006058 -0.003142 -0.020086 -0.076925 -0.002552 -0.001703 1Rh 5s -0.015602 0.008483 0.058438 0.199227 0.006424 0.004223 1Rh 6s 0.016941 -0.010672 -0.089537 -0.235112 -0.006339 -0.004610 1Rh 7s -0.064219 0.031757 0.267931 0.437793 0.015874 0.013094 1Rh 8s 0.023000 -0.007479 -0.086854 0.267933 0.000727 0.000462 1Rh 1pz 0.003701 0.000121 0.003577 0.001641 -0.000398 -0.021971 1Rh 1px -0.004363 0.001527 -0.012312 -0.006291 -0.001044 -0.007948 1Rh 1py -0.000972 -0.001511 -0.006606 0.006315 0.001298 0.002114 1Rh 2pz -0.015164 -0.000476 -0.014476 -0.006509 0.001635 0.090439 1Rh 2px 0.017988 -0.006322 0.049965 0.025145 0.004302 0.032729 1Rh 2py 0.004008 0.006189 0.027043 -0.025935 -0.005329 -0.008703 1Rh 3pz 0.045682 0.001044 0.039623 0.015106 -0.004944 -0.279374 1Rh 3px -0.056318 0.020381 -0.139448 -0.062628 -0.013366 -0.101302 1Rh 3py -0.012600 -0.018513 -0.080468 0.078931 0.016236 0.026883 1Rh 4pz -0.053262 0.000105 -0.032321 -0.003396 0.005612 0.342642 1Rh 4px 0.072214 -0.027919 0.122917 0.031861 0.016655 0.124765 1Rh 4py 0.016378 0.020695 0.088866 -0.092057 -0.019312 -0.032854 1Rh 5pz 0.026560 -0.002408 -0.009061 -0.020445 -0.001757 -0.192534 1Rh 5px -0.048621 0.020450 0.012994 0.044226 -0.010129 -0.069554 1Rh 5py -0.010769 -0.007141 -0.028823 0.027575 0.009739 0.017998 1Rh 6pz -0.050352 -0.000219 -0.024744 -0.086508 -0.010094 0.380519 1Rh 6px 0.072588 -0.011523 0.063595 0.471869 0.034546 0.109052 1Rh 6py -0.045405 0.008450 -0.156458 0.444911 -0.019483 -0.023174 1Rh 1dz2 -0.002335 -0.010911 -0.018373 0.008822 -0.000249 0.000407 1Rh 1dxz 0.003679 -0.003438 -0.025884 0.013638 -0.000507 0.002383 1Rh 1dyz -0.017312 -0.008520 -0.004716 0.000383 -0.000046 -0.001060 1Rh 1dx2y2 -0.003740 -0.000738 0.041093 -0.023555 0.000287 -0.001514 1Rh 1dxy -0.008971 -0.003361 0.014116 -0.004561 0.000615 -0.000960 1Rh 2dz2 0.004377 0.000298 0.002738 0.000144 0.000059 -0.000217 1Rh 2dxz 0.000030 -0.000987 0.003599 -0.000053 0.000080 -0.000047 1Rh 2dyz 0.007597 0.006789 0.000558 -0.000037 0.000061 0.000127 1Rh 2dx2y2 0.003044 -0.001379 -0.005303 0.000838 -0.000119 0.000390 1Rh 2dxy 0.003812 0.001801 -0.001866 -0.000172 -0.000114 0.000227 1Rh 3dz2 -0.009679 0.049085 0.073237 -0.042384 0.000896 -0.000866 1Rh 3dxz -0.017241 0.020567 0.104520 -0.064320 0.002029 -0.011038 1Rh 3dyz 0.044524 0.007713 0.019455 -0.001644 -0.000093 0.004452 1Rh 3dx2y2 0.003256 0.009649 -0.167616 0.107377 -0.000811 0.005320 1Rh 3dxy 0.023827 0.007075 -0.057451 0.022495 -0.002378 0.003486 1Rh 4dz2 0.041211 -0.088405 -0.128467 0.088714 -0.001462 0.000420 1Rh 4dxz 0.032544 -0.043340 -0.185111 0.133515 -0.003686 0.021415 1Rh 4dyz -0.040583 0.021742 -0.034587 0.003660 0.000637 -0.008503 1Rh 4dx2y2 0.008295 -0.022546 0.298267 -0.217569 0.001235 -0.008688 1Rh 4dxy -0.024793 -0.002708 0.102269 -0.049121 0.004221 -0.005886 1Rh 5dz2 -0.133140 0.079005 0.126364 -0.188275 0.001548 0.004228 1Rh 5dxz -0.035666 0.064522 0.187729 -0.280175 0.004703 -0.028966 1Rh 5dyz -0.126320 -0.164009 0.034444 -0.013471 -0.001727 0.007687 1Rh 5dx2y2 -0.059673 0.032560 -0.307216 0.431351 -0.001436 0.003938 1Rh 5dxy -0.048450 -0.040606 -0.110295 0.120976 -0.004485 0.003794 1Rh 1f0 0.001347 0.000344 0.009076 0.010458 -0.000220 0.009592 1Rh 1f+1 -0.002787 -0.001209 -0.008896 -0.006482 0.000098 0.009878 1Rh 1f-1 -0.000127 0.002178 -0.005441 0.001922 -0.000219 -0.007142 1Rh 1f+2 0.001523 0.000255 -0.015869 -0.009753 0.000101 0.004991 1Rh 1f-2 -0.004282 -0.004509 -0.007218 -0.001980 -0.000523 -0.002587 1Rh 1f+3 0.001367 -0.002159 -0.016875 -0.014144 0.000502 -0.001063 1Rh 1f-3 0.002526 0.000647 -0.007622 -0.009353 -0.000277 0.002830 2C 1s 0.002711 0.002092 0.002885 0.000395 0.000207 -0.000108 2C 2s 0.003147 0.002354 0.003917 0.000381 0.000215 0.000070 2C 3s 0.077681 0.041963 0.000970 0.009827 0.007854 -0.014049 2C 4s -0.612728 -0.407548 -0.289306 -0.046152 -0.047211 0.049135 2C 5s -0.712431 -0.149721 0.315585 0.100146 0.014597 -0.116951 2C 1pz -0.001012 -0.014815 -0.016300 0.001005 0.000265 0.000671 2C 1px -0.006339 -0.009156 -0.008884 -0.007903 0.000377 -0.003337 2C 1py -0.005632 -0.001666 -0.011833 -0.000575 -0.000206 -0.001376 2C 2pz -0.355649 -0.240006 -0.219038 -0.029844 0.023345 0.023275 2C 2px 0.034647 0.041323 0.050207 0.108610 -0.012462 0.008787 2C 2py -0.260399 -0.180292 -0.152330 0.011941 -0.073518 -0.053106 2C 3pz -0.162908 -0.046962 0.082941 0.022570 -0.031016 -0.051074 2C 3px -0.060407 -0.033039 0.014103 -0.025758 0.011358 0.034133 2C 3py -0.103324 -0.017099 0.050095 0.010944 0.045218 0.031796 2C 1dz2 -0.038466 -0.007398 -0.022895 0.001972 -0.002173 -0.003591 2C 1dxz -0.027827 -0.005379 -0.015752 -0.002970 -0.007230 -0.003090 2C 1dyz -0.036109 -0.045017 -0.029663 -0.001232 -0.002940 -0.002282 2C 1dx2y2 0.001673 0.020578 0.005894 0.003612 -0.005704 -0.006893 2C 1dxy -0.009733 -0.013677 -0.009746 -0.002912 0.008382 0.009337 2C 2dz2 -0.104792 -0.004597 -0.050031 -0.018675 -0.054932 -0.064774 2C 2dxz -0.112567 -0.029026 -0.072973 0.027533 -0.013160 0.014599 2C 2dyz -0.044196 -0.051473 -0.026763 0.010887 0.014502 0.013105 2C 2dx2y2 0.042267 0.096501 0.054148 0.034471 -0.032072 -0.027791 2C 2dxy 0.028360 -0.035149 0.005847 0.020881 0.029635 0.047284 2C 1f0 -0.038204 0.049939 -0.000855 -0.002982 -0.045571 -0.053519 2C 1f+1 -0.009317 0.015687 0.001421 0.008521 0.034892 0.041046 2C 1f-1 -0.037442 -0.023316 -0.026325 -0.007820 0.025505 0.024476 2C 1f+2 -0.019548 0.029676 -0.015580 0.012059 0.020341 0.016940 2C 1f-2 -0.024878 -0.006463 -0.004122 0.002267 -0.037443 -0.010097 2C 1f+3 -0.010350 -0.005127 -0.007872 0.007318 -0.052670 -0.047022 2C 1f-3 0.027637 -0.008925 0.016942 -0.004828 -0.009808 -0.017175 3C 1s -0.003653 -0.001464 0.002822 -0.000010 -0.000025 -0.000284 3C 2s -0.004935 -0.001246 0.003636 -0.000281 0.000069 -0.000381 3C 3s -0.044111 -0.059868 0.007029 0.025121 -0.005694 -0.001817 3C 4s 0.567640 0.425932 -0.294733 -0.131314 0.011566 0.040384 3C 5s 0.637355 0.166922 0.442235 0.023557 -0.014395 0.023676 3C 1pz 0.007494 -0.005963 -0.006957 0.004332 0.000174 0.001168 3C 1px 0.009103 0.004028 -0.007540 -0.004653 -0.001435 -0.000506 3C 1py -0.015272 -0.011281 0.019946 -0.003394 0.000499 -0.002475 3C 2pz 0.318041 0.214352 -0.182484 -0.069278 -0.042204 0.048324 3C 2px 0.084332 0.049062 -0.027876 0.082404 -0.038815 0.049816 3C 2py -0.304321 -0.204344 0.165333 0.072779 -0.037398 0.039360 3C 3pz 0.049924 0.009147 0.054186 -0.010526 0.017826 -0.018508 3C 3px 0.072151 0.029610 0.037638 -0.013229 0.048514 -0.036838 3C 3py -0.133755 -0.069841 -0.100660 0.003964 0.031573 -0.037592 3C 1dz2 -0.024401 0.002909 0.010001 -0.001046 -0.001915 -0.000518 3C 1dxz 0.010192 0.019055 -0.011100 -0.004743 0.009150 -0.006447 3C 1dyz -0.031367 -0.037535 0.025051 -0.000581 -0.004456 0.005855 3C 1dx2y2 -0.044223 -0.007356 0.019333 -0.001995 0.003890 -0.004405 3C 1dxy -0.036713 -0.018820 0.019944 0.000440 0.005791 -0.009724 3C 2dz2 -0.011055 0.027422 -0.008036 -0.013895 0.007975 -0.014756 3C 2dxz 0.043059 0.069172 -0.050419 -0.020935 0.041194 -0.027799 3C 2dyz 0.039068 -0.058581 -0.000910 0.027619 -0.014300 0.034246 3C 2dx2y2 -0.153763 -0.025925 0.060599 0.026983 0.058698 -0.054623 3C 2dxy -0.108344 -0.032071 0.059181 -0.031801 -0.024720 0.006121 3C 1f0 -0.045478 -0.006469 0.017329 -0.005621 0.045950 -0.049884 3C 1f+1 -0.036559 0.012563 0.021181 -0.001642 -0.032602 0.029136 3C 1f-1 0.047499 -0.046608 0.002409 0.011198 -0.033786 0.046462 3C 1f+2 -0.015682 -0.019510 0.014397 0.014770 -0.024615 0.029909 3C 1f-2 0.005935 -0.023914 -0.001671 -0.003357 0.027097 -0.041253 3C 1f+3 0.014814 0.007437 -0.014468 0.004135 0.053175 -0.045244 3C 1f-3 -0.003141 0.022279 -0.014675 0.001712 0.010236 0.003642 4C 1s 0.000072 0.000280 0.001437 -0.000756 0.000019 0.000206 4C 2s 0.001950 0.001691 0.003564 -0.001301 0.000149 0.000335 4C 3s -0.132942 -0.059386 -0.020617 -0.004959 -0.004446 0.024031 4C 4s 0.567111 0.219222 0.051440 0.060044 0.016072 -0.127659 4C 5s -0.203584 -0.288690 -0.137777 0.113237 -0.032384 -0.032848 4C 1pz 0.020164 0.032689 0.026089 0.002904 -0.000474 -0.009885 4C 1px 0.006711 0.012827 0.015410 -0.001172 0.000008 0.025158 4C 1py 0.029170 0.001577 0.023130 -0.000198 0.003004 0.007344 4C 2pz -0.302139 -0.283271 -0.273915 -0.040810 -0.006629 0.087879 4C 2px -0.039920 -0.102517 -0.144900 0.116632 -0.022153 -0.321902 4C 2py -0.244977 -0.135589 -0.225998 0.027173 -0.038244 -0.094979 4C 3pz -0.878477 -0.456639 0.165290 0.059456 0.001201 -0.035828 4C 3px -0.152003 -0.107132 0.046358 0.058829 -0.002127 -0.121370 4C 3py -0.617606 -0.280560 0.116490 0.076786 -0.023341 -0.081613 4C 1dz2 -0.004835 0.026444 0.007162 0.013679 0.024022 0.021753 4C 1dxz -0.012289 0.005539 0.015405 -0.012363 -0.032613 -0.033525 4C 1dyz 0.035084 0.009148 0.012265 0.004811 -0.024808 -0.023748 4C 1dx2y2 0.001903 0.011567 -0.016720 -0.007215 -0.040370 -0.033983 4C 1dxy 0.007748 0.001402 -0.021258 -0.006973 0.060792 0.043774 4C 2dz2 0.078118 0.147884 0.121457 -0.077939 -0.005752 0.025767 4C 2dxz 0.094225 0.087335 0.070718 0.130179 -0.000793 -0.039912 4C 2dyz 0.159236 0.071073 0.115734 -0.012277 0.015652 0.002265 4C 2dx2y2 -0.126843 -0.076603 -0.136778 0.036145 -0.019631 -0.045725 4C 2dxy 0.011801 -0.005471 -0.024189 0.115387 -0.003189 -0.041431 4C 1f0 0.032032 -0.050169 0.025596 -0.009074 -0.056327 -0.039246 4C 1f+1 0.009957 -0.010654 0.026336 -0.017197 0.054244 0.043173 4C 1f-1 -0.071622 -0.060342 -0.048380 -0.003628 0.034294 0.051278 4C 1f+2 0.053122 -0.021844 0.001466 -0.005267 0.034877 0.043205 4C 1f-2 -0.018028 -0.029773 -0.019320 0.004425 -0.038288 -0.064336 4C 1f+3 -0.014656 -0.008696 0.001840 -0.019699 -0.074826 -0.055221 4C 1f-3 -0.005389 0.033776 0.039367 -0.014657 -0.020118 0.008755 5C 1s -0.000535 0.000268 0.001103 0.000999 0.000432 -0.000533 5C 2s -0.002586 -0.000711 0.002954 0.002178 0.000749 -0.000817 5C 3s 0.070544 0.084596 -0.023473 -0.044326 0.005977 -0.024930 5C 4s -0.220791 -0.370414 0.085447 0.169661 -0.046444 0.137855 5C 5s 0.279718 0.262570 -0.169455 -0.101597 0.035786 0.049885 5C 1pz -0.030463 0.006098 0.015963 -0.000992 0.000981 -0.010309 5C 1px -0.014716 -0.008897 0.005110 -0.001749 0.003904 0.018164 5C 1py 0.031431 0.029522 -0.031070 -0.001188 0.000744 0.005379 5C 2pz 0.256989 0.078741 -0.189230 -0.073409 -0.020661 0.136187 5C 2px 0.214807 0.069943 -0.009495 0.173263 -0.010871 -0.252503 5C 2py -0.370378 -0.251738 0.296722 0.075270 0.006748 -0.093757 5C 3pz 0.527097 0.253318 0.160214 -0.025393 -0.001853 0.069105 5C 3px 0.294325 0.187209 0.046877 0.022675 -0.019672 -0.027579 5C 3py -0.820488 -0.481863 -0.227833 0.063654 -0.020845 -0.071395 5C 1dz2 -0.006291 0.023871 0.016711 0.004275 -0.034478 0.034349 5C 1dxz -0.005850 0.010253 -0.000240 -0.015813 0.061400 -0.064531 5C 1dyz 0.031408 0.011211 -0.002421 -0.002678 0.001293 -0.001382 5C 1dx2y2 -0.001926 0.012375 -0.023244 0.002542 0.007922 -0.006403 5C 1dxy 0.002163 0.008249 -0.019594 0.010352 0.050150 -0.041640 5C 2dz2 -0.084611 0.051433 0.002915 -0.075538 0.007958 -0.002769 5C 2dxz -0.129391 -0.042906 0.104057 0.098050 0.025106 -0.079994 5C 2dyz 0.128239 0.040626 -0.058373 0.056742 0.004005 -0.034619 5C 2dx2y2 0.220328 0.122405 -0.133321 0.059012 0.011525 -0.018101 5C 2dxy 0.106738 0.077258 -0.111233 -0.173883 -0.025857 0.073217 5C 1f0 -0.056954 -0.038222 0.043355 0.016368 0.061061 -0.086286 5C 1f+1 -0.014525 -0.030016 0.035120 -0.000245 -0.054810 0.073893 5C 1f-1 -0.051287 0.047653 0.012693 -0.000373 -0.032700 0.018723 5C 1f+2 -0.061902 -0.036237 0.035530 -0.012195 -0.029961 0.025922 5C 1f-2 -0.038923 -0.002394 -0.018968 -0.020840 0.039257 -0.009408 5C 1f+3 0.007147 0.035906 -0.016199 -0.019359 0.076894 -0.081510 5C 1f-3 0.023650 -0.030579 -0.021996 -0.001014 0.009092 -0.017207 6C 1s -0.000537 0.000256 0.001093 -0.000977 -0.000438 -0.000519 6C 2s -0.002591 -0.000724 0.002946 -0.002140 -0.000756 -0.000789 6C 3s 0.070907 0.083594 -0.025592 0.043774 -0.006270 -0.024921 6C 4s -0.222231 -0.364887 0.096029 -0.168730 0.048293 0.137212 6C 5s 0.280394 0.261196 -0.166838 0.096426 -0.034744 0.050824 6C 1pz 0.030398 -0.006141 -0.015918 -0.001003 0.001210 0.010381 6C 1px 0.014815 0.008855 -0.004967 -0.002351 0.003461 -0.018112 6C 1py -0.031380 -0.029474 0.030891 -0.000968 0.000685 -0.005393 6C 2pz -0.256514 -0.078865 0.189131 -0.072581 -0.023312 -0.136232 6C 2px -0.215801 -0.068290 0.003083 0.185754 -0.005461 0.251388 6C 2py 0.370542 0.251489 -0.294615 0.070087 0.008132 0.093504 6C 3pz -0.526586 -0.254496 -0.160453 -0.019715 -0.003949 -0.069454 6C 3px -0.294873 -0.187813 -0.047531 0.028925 -0.018302 0.028124 6C 3py 0.820397 0.484046 0.229160 0.054185 -0.018961 0.071096 6C 1dz2 -0.006288 0.023881 0.016356 -0.003634 0.034774 0.033944 6C 1dxz -0.005696 0.010364 -0.000184 0.015110 -0.061864 -0.063830 6C 1dyz 0.031494 0.011041 -0.002454 0.002439 -0.001331 -0.001279 6C 1dx2y2 -0.001779 0.012457 -0.023009 -0.003129 -0.008127 -0.006280 6C 1dxy 0.001930 0.008108 -0.019799 -0.010617 -0.050379 -0.040855 6C 2dz2 -0.083938 0.051306 0.001317 0.076919 -0.008436 -0.003528 6C 2dxz -0.129520 -0.043930 0.103603 -0.097720 -0.025883 -0.079082 6C 2dyz 0.128002 0.039577 -0.058209 -0.059577 -0.004167 -0.033830 6C 2dx2y2 0.220137 0.122044 -0.130187 -0.063829 -0.011715 -0.017640 6C 2dxy 0.107430 0.078140 -0.111949 0.175600 0.026721 0.071834 6C 1f0 0.056911 0.038248 -0.043364 0.016742 0.061838 0.085445 6C 1f+1 0.014643 0.030016 -0.034315 -0.001219 -0.055535 -0.073165 6C 1f-1 0.051039 -0.047683 -0.012800 -0.000547 -0.032520 -0.018123 6C 1f+2 0.062020 0.036149 -0.035452 -0.012978 -0.030094 -0.025418 6C 1f-2 0.038896 0.002038 0.018967 -0.021217 0.038990 0.009164 6C 1f+3 -0.007216 -0.035687 0.016743 -0.018676 0.077535 0.080523 6C 1f-3 -0.023406 0.030458 0.021592 -0.000751 0.009251 0.016947 7C 1s 0.000080 0.000287 0.001449 0.000701 -0.000008 0.000196 7C 2s 0.001965 0.001696 0.003594 0.001192 -0.000127 0.000317 7C 3s -0.132240 -0.059335 -0.021674 0.005993 0.004573 0.023999 7C 4s 0.563420 0.218304 0.056033 -0.061487 -0.017109 -0.127000 7C 5s -0.209232 -0.283790 -0.139520 -0.107134 0.031584 -0.031557 7C 1pz -0.020175 -0.032450 -0.025966 0.003786 -0.000462 0.009899 7C 1px -0.006861 -0.012694 -0.015630 -0.001429 -0.000311 -0.025069 7C 1py -0.029324 -0.001483 -0.023180 0.000184 0.002870 -0.007379 7C 2pz 0.301514 0.280447 0.270478 -0.056209 -0.005153 -0.088665 7C 2px 0.042538 0.101632 0.151508 0.123715 -0.020573 0.322281 7C 2py 0.246741 0.134435 0.227254 0.020704 -0.036762 0.095283 7C 3pz 0.875196 0.459854 -0.166363 0.048876 0.002700 0.035317 7C 3px 0.151492 0.106736 -0.045290 0.057769 0.000072 0.119586 7C 3py 0.617294 0.283626 -0.116963 0.071080 -0.021723 0.081545 7C 1dz2 -0.004615 0.026549 0.007489 -0.013695 -0.023599 0.022135 7C 1dxz -0.012289 0.005655 0.015109 0.011753 0.032302 -0.034158 7C 1dyz 0.034887 0.008995 0.012056 -0.005026 0.024383 -0.024033 7C 1dx2y2 0.001904 0.011876 -0.016424 0.007564 0.039591 -0.034534 7C 1dxy 0.007550 0.001502 -0.021464 0.007057 -0.059716 0.044418 7C 2dz2 0.078387 0.147530 0.122326 0.075644 0.005983 0.025317 7C 2dxz 0.093305 0.085775 0.067887 -0.136668 0.002295 -0.040514 7C 2dyz 0.159372 0.070740 0.116250 0.008591 -0.015382 0.002443 7C 2dx2y2 -0.128098 -0.076317 -0.136884 -0.031756 0.018552 -0.045502 7C 2dxy 0.010635 -0.005583 -0.025467 -0.117273 0.004019 -0.041815 7C 1f0 -0.032307 0.050227 -0.025553 -0.008740 -0.055437 0.040138 7C 1f+1 -0.010337 0.010570 -0.026366 -0.016948 0.053454 -0.043986 7C 1f-1 0.071360 0.060441 0.048105 -0.005263 0.033547 -0.051718 7C 1f+2 -0.053103 0.021761 -0.002036 -0.005798 0.034280 -0.043823 7C 1f-2 0.018053 0.029884 0.019539 0.004485 -0.036922 0.064579 7C 1f+3 0.014513 0.008650 -0.002185 -0.020348 -0.073285 0.056171 7C 1f-3 0.005128 -0.033615 -0.039659 -0.014644 -0.020080 -0.008309 8C 1s -0.003643 -0.001467 0.002820 0.000020 0.000025 -0.000291 8C 2s -0.004916 -0.001264 0.003629 0.000279 -0.000069 -0.000387 8C 3s -0.044394 -0.059089 0.007494 -0.023735 0.005586 -0.002109 8C 4s 0.568452 0.422851 -0.295470 0.122646 -0.010867 0.041653 8C 5s 0.635602 0.172614 0.443348 -0.030095 0.015588 0.021839 8C 1pz -0.007481 0.005900 0.006967 0.004277 0.000141 -0.001213 8C 1px -0.009305 -0.004167 0.007530 -0.004777 -0.001376 0.000544 8C 1py 0.015165 0.011248 -0.019805 -0.003265 0.000484 0.002473 8C 2pz -0.317410 -0.212632 0.180783 -0.066358 -0.043601 -0.048829 8C 2px -0.081461 -0.046703 0.026781 0.084395 -0.038645 -0.048850 8C 2py 0.306590 0.204462 -0.166003 0.067000 -0.037956 -0.039286 8C 3pz -0.050130 -0.010001 -0.054418 -0.009647 0.018906 0.019736 8C 3px -0.072415 -0.030215 -0.037491 -0.012166 0.047553 0.035287 8C 3py 0.133326 0.070271 0.100684 0.002471 0.032315 0.037284 8C 1dz2 -0.024350 0.002946 0.009948 0.001142 0.001870 -0.000574 8C 1dxz 0.010306 0.019218 -0.011078 0.004563 -0.009257 -0.006451 8C 1dyz -0.031473 -0.037432 0.025076 0.001081 0.004595 0.005817 8C 1dx2y2 -0.043925 -0.007143 0.019251 0.002214 -0.003945 -0.004483 8C 1dxy -0.036947 -0.018803 0.019910 -0.000346 -0.005927 -0.009713 8C 2dz2 -0.010685 0.027571 -0.008062 0.014748 -0.009146 -0.015619 8C 2dxz 0.043162 0.070048 -0.050370 0.019626 -0.041420 -0.027672 8C 2dyz 0.038123 -0.058244 -0.000587 -0.026090 0.015546 0.035155 8C 2dx2y2 -0.152776 -0.025477 0.059655 -0.026578 -0.058942 -0.053878 8C 2dxy -0.108661 -0.031442 0.059259 0.033212 0.023407 0.004396 8C 1f0 0.045367 0.006291 -0.017313 -0.005441 0.046339 0.049455 8C 1f+1 0.036155 -0.012487 -0.021010 -0.001809 -0.032724 -0.028609 8C 1f-1 -0.047169 0.046830 -0.002351 0.010884 -0.034309 -0.046234 8C 1f+2 0.015530 0.019368 -0.014449 0.014357 -0.024927 -0.029492 8C 1f-2 -0.005653 0.023755 0.001452 -0.003330 0.027440 0.040985 8C 1f+3 -0.014889 -0.007474 0.014523 0.004963 0.053385 0.044651 8C 1f-3 0.003046 -0.022576 0.014785 0.001570 0.010100 -0.003651 9C 1s 0.002711 0.002087 0.002879 -0.000456 -0.000196 -0.000110 9C 2s 0.003142 0.002363 0.003910 -0.000447 -0.000200 0.000070 9C 3s 0.077323 0.041354 0.000856 -0.012120 -0.007667 -0.014330 9C 4s -0.611864 -0.403760 -0.288785 0.063178 0.045222 0.050455 9C 5s -0.704589 -0.160615 0.317174 -0.095754 -0.016064 -0.117510 9C 1pz 0.001157 0.014563 0.016217 0.001083 0.000277 -0.000663 9C 1px 0.006435 0.009001 0.008891 -0.008014 0.000444 0.003373 9C 1py 0.005949 0.001765 0.012044 -0.000561 -0.000176 0.001376 9C 2pz 0.357221 0.240150 0.221036 -0.038725 0.024091 -0.024034 9C 2px -0.035779 -0.040115 -0.050214 0.108651 -0.010252 -0.011256 9C 2py 0.257622 0.175435 0.149801 0.005880 -0.072489 0.054805 9C 3pz 0.160196 0.047935 -0.083023 0.021499 -0.029924 0.051335 9C 3px 0.059765 0.033377 -0.014471 -0.026397 0.008616 -0.031781 9C 3py 0.104366 0.019404 -0.050778 0.009357 0.044939 -0.032851 9C 1dz2 -0.038145 -0.006714 -0.022462 -0.001552 0.002111 -0.003703 9C 1dxz -0.027633 -0.004913 -0.015615 0.003314 0.007127 -0.003203 9C 1dyz -0.036740 -0.044801 -0.030011 0.001913 0.002865 -0.002391 9C 1dx2y2 0.001832 0.021060 0.006191 -0.003802 0.005759 -0.007106 9C 1dxy -0.010022 -0.013642 -0.009922 0.003009 -0.008282 0.009428 9C 2dz2 -0.102777 -0.002727 -0.048828 0.020322 0.053370 -0.065377 9C 2dxz -0.111924 -0.027660 -0.072181 -0.025314 0.015128 0.012601 9C 2dyz -0.045756 -0.051040 -0.027775 -0.008661 -0.014210 0.013093 9C 2dx2y2 0.042464 0.098237 0.054798 -0.035978 0.033126 -0.029476 9C 2dxy 0.027256 -0.036486 0.004987 -0.021974 -0.027689 0.046796 9C 1f0 0.037264 -0.051250 -0.000034 -0.003017 -0.044969 0.054389 9C 1f+1 0.009201 -0.015950 -0.001562 0.008325 0.034507 -0.041712 9C 1f-1 0.037549 0.022679 0.026275 -0.008542 0.024869 -0.024452 9C 1f+2 0.018734 -0.030015 0.015264 0.012588 0.019926 -0.016871 9C 1f-2 0.024756 0.006064 0.004083 0.001841 -0.036265 0.009782 9C 1f+3 0.010783 0.004801 0.008009 0.007409 -0.051827 0.047567 9C 1f-3 -0.027236 0.009299 -0.016428 -0.004503 -0.009888 0.017902 10H 1s -0.022562 -0.011989 -0.023807 0.002897 0.013204 0.016070 10H 2s -0.102174 -0.105238 -0.113406 -0.053629 0.012628 -0.004080 10H 3s 0.062758 0.025059 0.005516 0.029899 -0.017052 -0.001197 10H 1pz -0.014345 -0.015914 -0.016576 -0.015016 0.001010 -0.004559 10H 1px 0.028463 0.026487 0.032907 0.004783 -0.011653 -0.008840 10H 1py -0.011051 -0.004426 -0.008084 -0.008210 -0.012209 -0.014817 11H 1s 0.035705 0.003625 0.015015 0.004426 0.028015 0.017306 11H 2s 0.102226 -0.016504 0.043269 0.023925 0.052010 0.033053 11H 3s -0.010095 -0.040286 -0.025130 -0.032009 -0.034495 -0.010970 11H 1pz 0.020856 -0.013355 0.005052 0.006485 0.004533 -0.000785 11H 1px 0.030835 0.003670 0.014572 0.008014 0.013941 0.007523 11H 1py -0.013389 0.005545 -0.000775 -0.001302 -0.030944 -0.023828 12H 1s -0.005896 0.028248 0.003068 0.006674 -0.037736 -0.045520 12H 2s -0.028863 0.028444 -0.009672 0.047254 -0.055972 -0.060152 12H 3s 0.016645 -0.016865 -0.019347 -0.030157 0.043281 0.056584 12H 1pz 0.002448 -0.000966 -0.000242 0.004333 0.039502 0.038687 12H 1px 0.008651 0.015178 0.009141 0.009046 -0.010803 -0.013504 12H 1py -0.016278 0.009677 -0.009084 0.016391 -0.017640 -0.021785 13H 1s 0.032419 0.000784 -0.019822 0.001117 0.014756 -0.010302 13H 2s 0.136269 0.074434 -0.097060 -0.050465 0.007585 -0.004781 13H 3s -0.074078 -0.014125 -0.012626 0.006767 -0.018879 0.027926 13H 1pz 0.037400 0.014401 -0.022494 -0.009966 -0.006534 0.006878 13H 1px -0.027255 -0.013245 0.022856 0.004409 -0.019390 0.019080 13H 1py -0.007143 -0.005070 0.003298 0.012206 0.006530 -0.006263 14H 1s 0.011921 -0.022084 0.009922 0.007735 -0.041916 0.035816 14H 2s 0.071940 0.004728 -0.030545 0.053384 -0.056918 0.052529 14H 3s -0.033163 0.010576 -0.027421 -0.030386 0.049319 -0.050140 14H 1pz 0.029624 0.003247 -0.015052 0.010402 -0.004394 0.003792 14H 1px 0.011950 -0.008213 0.000659 0.016380 -0.026570 0.022296 14H 1py 0.005794 0.001450 0.001854 -0.004680 -0.038616 0.039868 15H 1s -0.046931 -0.004521 0.019238 -0.000976 0.021677 -0.030849 15H 2s -0.138412 0.003644 0.045415 0.014925 0.046516 -0.063034 15H 3s 0.015600 0.052198 -0.042174 -0.011532 -0.024763 0.032924 15H 1pz 0.034088 -0.000891 -0.009538 0.001193 -0.025600 0.032163 15H 1px -0.015788 -0.005093 0.009136 0.004392 -0.005988 0.005523 15H 1py 0.033016 -0.005609 -0.009470 -0.006223 -0.007578 0.012484 16H 1s -0.006631 -0.000682 0.015956 0.039442 -0.000423 -0.003972 16H 2s -0.029363 -0.000288 -0.125295 -0.301128 0.003539 0.037296 16H 3s 0.012198 0.008569 0.016164 0.009026 -0.000774 0.008010 16H 1pz -0.018856 -0.000439 -0.042426 -0.102230 0.000556 0.009898 16H 1px -0.015095 0.003697 -0.024712 -0.041598 0.000585 -0.017488 16H 1py 0.006166 0.000498 0.033867 0.069803 0.000112 -0.012153 17H 1s 0.003937 0.007639 0.021221 0.050225 -0.000212 -0.000587 17H 2s -0.043868 -0.011380 -0.126311 -0.289258 0.001675 -0.006314 17H 3s -0.011381 -0.006653 0.015734 0.009209 -0.001800 -0.008251 17H 1pz 0.024486 -0.004803 0.057558 0.122542 -0.000018 -0.008723 17H 1px -0.000644 0.005548 0.002501 0.016382 0.000690 0.016917 17H 1py 0.005698 0.004775 0.027339 0.055043 0.000287 0.011078 18H 1s 0.003430 0.007591 0.021036 -0.050314 0.000277 -0.000538 18H 2s -0.042741 -0.010568 -0.125624 0.290543 -0.002437 -0.007702 18H 3s -0.011136 -0.006403 0.015618 -0.009172 0.001663 -0.007997 18H 1pz -0.024305 0.005014 -0.056596 0.121780 -0.000098 0.008113 18H 1px 0.000920 -0.005351 -0.002063 0.015533 0.000349 -0.017071 18H 1py -0.005956 -0.004615 -0.028408 0.057752 -0.000018 -0.011733 19H 1s -0.006752 -0.001180 0.015781 -0.039361 0.000451 -0.003728 19H 2s -0.028000 0.000656 -0.123611 0.300569 -0.003547 0.035576 19H 3s 0.012217 0.008404 0.016204 -0.009010 0.001035 0.008098 19H 1pz 0.018690 0.000348 0.042735 -0.103790 0.000538 -0.009385 19H 1px 0.015198 -0.003558 0.024782 -0.041834 0.000886 0.017644 19H 1py -0.005540 -0.000240 -0.032581 0.067452 0.000089 0.011101 20H 1s -0.046625 -0.004142 0.019001 0.000861 -0.022420 -0.031266 20H 2s -0.136611 0.004439 0.044438 -0.016011 -0.047787 -0.063435 20H 3s 0.015413 0.050951 -0.042292 0.011877 0.025520 0.033578 20H 1pz -0.033642 0.001152 0.009287 0.000906 -0.026513 -0.032658 20H 1px 0.016248 0.005167 -0.009278 0.004363 -0.005797 -0.005127 20H 1py -0.032385 0.005948 0.009220 -0.006492 -0.007660 -0.012408 21H 1s 0.011325 -0.022408 0.010284 -0.007379 0.042069 0.035278 21H 2s 0.070036 0.002698 -0.029071 -0.053051 0.057404 0.052063 21H 3s -0.032091 0.010495 -0.027820 0.029862 -0.049605 -0.049241 21H 1pz -0.029398 -0.002872 0.014722 0.010495 -0.004819 -0.004126 21H 1px -0.011190 0.008800 -0.001124 0.016112 -0.026514 -0.021794 21H 1py -0.005711 -0.001353 -0.002000 -0.004902 -0.038978 -0.039433 22H 1s 0.032458 0.001214 -0.019739 -0.001135 -0.014210 -0.009616 22H 2s 0.137297 0.075090 -0.096488 0.049553 -0.007143 -0.004438 22H 3s -0.074160 -0.014860 -0.012759 -0.005991 0.018421 0.027112 22H 1pz -0.037262 -0.014422 0.022049 -0.009892 -0.006768 -0.006908 22H 1px 0.027690 0.013517 -0.022887 0.004090 -0.018975 -0.018339 22H 1py 0.007632 0.005435 -0.003466 0.012314 0.006213 0.005708 23H 1s -0.005062 0.028978 0.003703 -0.006968 0.036863 -0.045921 23H 2s -0.026757 0.032866 -0.007293 -0.047161 0.055406 -0.061610 23H 3s 0.014421 -0.016790 -0.019765 0.030529 -0.042160 0.057221 23H 1pz -0.002161 0.001466 0.000474 0.004167 0.038645 -0.039150 23H 1px -0.009144 -0.015399 -0.009424 0.009106 -0.010027 0.013007 23H 1py 0.015592 -0.011242 0.008249 0.016519 -0.017639 0.022530 24H 1s 0.035153 0.002493 0.014222 -0.004797 -0.028269 0.018187 24H 2s 0.098773 -0.019889 0.040415 -0.026206 -0.052025 0.034624 24H 3s -0.009665 -0.037609 -0.024730 0.032588 0.034799 -0.012304 24H 1pz -0.019797 0.014282 -0.004291 0.007054 0.004231 0.000920 24H 1px -0.030583 -0.002879 -0.014097 0.008693 0.014596 -0.008398 24H 1py 0.012254 -0.006134 -0.000082 -0.001250 -0.030916 0.024728 25H 1s -0.022489 -0.012380 -0.023844 -0.002579 -0.012056 0.015343 25H 2s -0.103349 -0.104033 -0.113947 0.054599 -0.011919 -0.005098 25H 3s 0.062361 0.026004 0.005364 -0.030078 0.015719 0.000129 25H 1pz 0.014804 0.016103 0.017117 -0.015019 0.001543 0.004276 25H 1px -0.028703 -0.026199 -0.032947 0.005006 -0.010408 0.007888 25H 1py 0.010510 0.003657 0.007478 -0.008222 -0.011737 0.014817 26O 1s -0.000844 -0.000248 -0.000619 -0.000841 0.000211 0.000493 26O 2s -0.003257 -0.000729 -0.000858 -0.003396 0.000773 0.002508 26O 3s 0.042073 0.003557 -0.020600 0.052992 -0.008067 -0.043428 26O 4s -0.147233 -0.004187 0.186364 -0.214706 0.018577 0.153185 26O 5s 0.613261 0.414232 -0.051537 -0.019828 0.020608 0.191743 26O 1pz -0.006710 -0.003471 0.018530 0.010857 0.000328 0.001792 26O 1px -0.001417 0.002554 0.004668 0.000858 0.002134 0.005676 26O 1py -0.004245 -0.002267 0.012049 0.005608 0.002729 0.006279 26O 2pz -0.001941 -0.013140 -0.072752 -0.043850 -0.018901 -0.029484 26O 2px 0.000073 -0.049536 -0.110935 0.065606 -0.018547 -0.099605 26O 2py -0.006998 -0.015410 -0.090019 0.010109 0.017282 -0.025810 26O 3pz 0.157614 0.105828 -0.044438 0.049571 0.015273 -0.006569 26O 3px -0.063767 -0.059762 -0.003100 0.044283 -0.005366 -0.149723 26O 3py 0.107731 -0.018236 -0.038386 -0.001983 -0.027500 -0.124888 26O 1dz2 0.003135 0.034395 0.015281 0.011323 -0.025269 -0.014028 26O 1dxz 0.001393 0.018718 0.003847 -0.001160 -0.029195 -0.030460 26O 1dyz 0.029782 0.008694 0.017013 0.010611 0.005991 0.010835 26O 1dx2y2 -0.020442 0.008906 -0.005486 0.008037 -0.040162 -0.032305 26O 1dxy 0.004798 -0.002017 -0.005131 0.007036 0.024017 0.017344 26O 2dz2 0.007141 0.000617 -0.030270 0.008054 -0.001795 -0.015407 26O 2dxz 0.002405 0.007254 0.006076 0.000944 0.015192 0.015670 26O 2dyz 0.012916 0.003913 -0.009776 -0.004480 0.005828 0.011526 26O 2dx2y2 -0.010455 0.010058 0.024218 -0.004725 0.017842 0.037339 26O 2dxy -0.002368 0.010452 0.029171 -0.013647 -0.016031 0.008627 26O 1f0 -0.151909 0.219338 -0.032033 0.006484 0.077064 0.048467 26O 1f+1 -0.120934 -0.075259 -0.157959 -0.047353 0.201128 0.154414 26O 1f-1 0.242742 0.185703 0.265433 0.094077 0.079408 0.082100 26O 1f+2 -0.067595 0.102724 -0.022888 0.040978 0.167098 0.169492 26O 1f-2 -0.092278 0.060968 -0.032891 -0.018824 -0.069319 -0.086390 26O 1f+3 0.034526 0.072148 0.069661 0.030138 -0.114017 -0.087273 26O 1f-3 -0.008935 -0.053884 -0.028252 -0.013042 -0.131820 -0.122198 27O 1s 0.000195 0.000491 -0.000215 -0.000283 -0.000080 0.000351 27O 2s 0.000478 0.001855 -0.000025 -0.001682 -0.000230 0.001704 27O 3s 0.002968 -0.024593 -0.017341 0.031705 0.000023 -0.025883 27O 4s -0.023603 0.090589 0.149043 -0.113341 0.003147 0.093617 27O 5s -0.692490 -0.388040 -0.269305 -0.279532 0.010252 0.001363 27O 1pz 0.003171 0.005613 0.007062 0.006358 0.002233 -0.003646 27O 1px -0.005311 0.004280 0.001016 -0.007583 -0.000865 0.000139 27O 1py -0.004383 -0.004597 -0.014699 -0.009041 0.000741 -0.002268 27O 2pz 0.006864 -0.011604 -0.026681 -0.028465 0.018421 -0.013208 27O 2px 0.099797 -0.007608 -0.055019 0.097538 0.001341 -0.041472 27O 2py -0.029168 -0.002132 0.056588 0.023283 0.020099 -0.012528 27O 3pz -0.145078 -0.026056 -0.095116 -0.086410 -0.020886 0.040522 27O 3px 0.110096 0.039603 -0.009436 -0.050571 -0.006034 -0.085799 27O 3py 0.106573 0.115455 0.105012 0.071125 -0.020502 0.077525 27O 1dz2 -0.011163 0.020408 -0.005589 -0.010111 0.020093 -0.019079 27O 1dxz -0.019438 0.009036 -0.005518 -0.012803 0.041573 -0.042171 27O 1dyz 0.032786 0.000332 -0.006650 -0.004734 -0.018730 0.012729 27O 1dx2y2 0.010829 0.027873 -0.019267 -0.004686 0.026109 -0.029792 27O 1dxy 0.011591 0.015588 -0.008522 0.004097 0.022515 -0.018728 27O 2dz2 0.011572 0.004615 -0.010339 0.011989 0.003993 -0.013725 27O 2dxz -0.003814 -0.002436 -0.001770 -0.003275 -0.020291 0.018992 27O 2dyz 0.007671 0.005410 0.017467 0.011222 0.002756 -0.007886 27O 2dx2y2 -0.016737 0.013359 0.025834 -0.014254 -0.004165 0.016945 27O 2dxy 0.018676 0.004279 0.000035 0.014116 -0.015058 0.009159 27O 1f0 0.184942 0.206307 -0.229283 -0.127197 0.048392 -0.063455 27O 1f+1 0.040655 -0.002650 -0.000577 0.006182 -0.214364 0.234767 27O 1f-1 0.232977 -0.211897 -0.067372 -0.025873 0.117760 -0.108881 27O 1f+2 0.193440 0.109292 -0.180395 -0.065822 -0.034174 0.038691 27O 1f-2 -0.036507 -0.066490 0.016997 0.034484 0.140619 -0.121850 27O 1f+3 -0.019371 0.038858 -0.033529 0.003314 0.178017 -0.200992 27O 1f-3 -0.047867 0.087164 0.005909 0.018856 -0.088564 0.102219 28O 1s -0.000203 -0.000330 -0.000017 0.000133 -0.000026 -0.000313 28O 2s -0.001113 -0.001214 0.000614 0.000920 -0.000046 -0.001708 28O 3s 0.018997 0.011829 -0.025110 -0.017289 0.000933 0.030507 28O 4s -0.075178 -0.028392 0.172456 0.073566 -0.002763 -0.116354 28O 5s 0.572478 0.365667 -0.226231 0.155242 0.002451 -0.006596 28O 1pz -0.010475 -0.001001 0.012541 -0.001631 0.001232 0.000104 28O 1px -0.006869 0.001536 0.004304 -0.007660 -0.000017 -0.000241 28O 1py -0.006119 -0.005012 0.009906 -0.007793 -0.000060 -0.002859 28O 2pz 0.003922 -0.031251 -0.083790 -0.016461 0.014828 0.046979 28O 2px 0.026693 0.012594 0.032610 0.060940 0.008180 -0.031559 28O 2py 0.001677 0.006177 -0.037207 0.029139 -0.024715 -0.013848 28O 3pz 0.063621 0.069843 -0.096002 0.136401 -0.023998 0.059644 28O 3px 0.104252 0.099885 -0.047001 -0.019488 -0.014720 -0.092038 28O 3py 0.119106 0.020263 -0.056126 0.024522 0.027341 0.075791 28O 1dz2 -0.003547 0.038247 -0.003682 0.013087 0.044817 0.034262 28O 1dxz 0.002529 0.014550 0.004341 0.001622 0.005631 -0.003183 28O 1dyz 0.031745 0.002840 0.019634 -0.014151 -0.028881 -0.028808 28O 1dx2y2 -0.017662 0.005343 -0.008874 -0.002647 0.012402 0.008105 28O 1dxy -0.005244 0.010358 -0.000915 -0.007326 0.025787 0.014679 28O 2dz2 0.001325 0.009420 -0.005202 0.009610 -0.009236 -0.011216 28O 2dxz 0.003688 -0.000702 -0.028673 -0.003335 0.006695 0.022487 28O 2dyz 0.009951 0.002174 -0.014165 0.006432 0.011519 0.005108 28O 2dx2y2 -0.007080 0.005562 0.013996 0.002197 0.006162 -0.007828 28O 2dxy 0.002388 0.000908 -0.007759 0.002781 -0.017738 -0.016430 28O 1f0 -0.103411 0.050267 -0.032632 0.011039 -0.297223 -0.245179 28O 1f+1 -0.090515 0.123319 -0.025238 0.033599 -0.011313 0.005227 28O 1f-1 0.063054 0.209474 0.155254 -0.058609 0.042911 0.041857 28O 1f+2 -0.155724 0.164362 -0.045823 0.038065 -0.072116 -0.063769 28O 1f-2 0.118940 0.166032 0.178881 -0.084281 -0.070135 -0.086511 28O 1f+3 0.131430 -0.128861 0.077574 -0.019862 -0.152951 -0.135884 28O 1f-3 -0.052292 -0.167259 -0.127995 0.092855 0.068800 0.101742 29O 1s -0.000317 -0.000026 0.000158 0.000674 0.000102 0.000075 29O 2s -0.000796 -0.000125 0.000739 0.002437 0.000328 0.000235 29O 3s 0.002435 0.002049 -0.010886 -0.036426 -0.003283 -0.001717 29O 4s -0.005085 -0.007958 -0.019972 0.030299 0.009416 0.008009 29O 5s 0.081648 0.013460 0.261720 0.404037 -0.018832 -0.039797 29O 1pz 0.006608 0.001271 -0.001573 -0.002812 -0.000228 0.002661 29O 1px -0.004620 0.004131 0.013182 0.025217 0.000245 -0.000455 29O 1py 0.002600 0.000356 0.010046 0.018680 0.000119 -0.000837 29O 2pz -0.021237 -0.004511 -0.007379 -0.023488 0.001110 -0.006609 29O 2px 0.017993 -0.010005 -0.013012 -0.010931 -0.000946 -0.002105 29O 2py -0.015298 -0.000026 -0.042973 -0.090964 -0.000271 0.004428 29O 3pz 0.015238 0.013121 0.004398 -0.033081 -0.001048 0.065259 29O 3px 0.001904 0.000334 -0.027544 0.024593 0.005851 0.027326 29O 3py -0.032741 -0.005587 -0.099485 -0.228428 0.003571 0.005386 29O 1dz2 -0.006444 -0.002558 -0.038723 -0.087194 0.000139 0.017524 29O 1dxz -0.004054 -0.002491 -0.033309 -0.071927 -0.000128 -0.025324 29O 1dyz 0.007145 0.001050 0.015716 0.031774 -0.000290 -0.023340 29O 1dx2y2 -0.001179 -0.003081 0.007773 0.023717 -0.000662 -0.014316 29O 1dxy -0.008466 0.004593 -0.021991 -0.033276 -0.000092 -0.005425 29O 2dz2 -0.000583 0.000729 -0.016531 -0.022635 -0.000034 0.001915 29O 2dxz -0.001678 -0.001909 -0.015922 -0.019307 0.000300 -0.004478 29O 2dyz 0.005179 0.000504 0.007212 0.018578 -0.000288 -0.006776 29O 2dx2y2 -0.003595 -0.000213 0.007847 -0.000717 -0.000373 -0.002536 29O 2dxy -0.006580 0.002169 -0.006044 -0.017840 -0.000069 -0.000919 29O 1f0 0.015234 -0.002726 0.034790 0.077047 -0.000448 -0.020145 29O 1f+1 -0.024163 -0.001250 -0.048493 -0.105446 -0.002651 0.045495 29O 1f-1 0.001411 0.000705 0.039093 0.072452 -0.000708 -0.005895 29O 1f+2 0.024575 -0.005230 0.112487 0.227062 -0.001104 -0.072952 29O 1f-2 0.043123 -0.012873 0.102509 0.204144 -0.000241 0.017695 29O 1f+3 0.081020 -0.007291 0.262084 0.529045 0.000556 0.025405 29O 1f-3 0.058964 -0.023396 0.067858 0.141337 -0.000496 -0.024256 30O 1s 0.000636 0.000139 -0.000489 0.001141 0.000078 -0.000322 30O 2s 0.002233 0.000747 -0.000523 0.004518 0.000282 -0.001889 30O 3s -0.021727 -0.013176 -0.022559 -0.065593 -0.006257 0.040060 30O 4s 0.058057 0.055911 0.193627 0.254659 0.032850 -0.166648 30O 5s -0.651639 -0.366025 -0.107013 -0.022572 -0.001939 -0.176246 30O 1pz 0.001990 0.005291 0.011002 -0.005164 -0.000091 -0.001545 30O 1px 0.002889 0.005138 0.007131 -0.009356 -0.002371 0.004527 30O 1py -0.005535 -0.003940 -0.018414 0.007875 -0.000274 0.006341 30O 2pz 0.031328 -0.011541 -0.081373 -0.009846 -0.035039 0.083606 30O 2px -0.027776 -0.015405 0.049255 0.092466 0.013933 -0.075342 30O 2py -0.026449 -0.007299 0.120413 0.008749 -0.009200 -0.046967 30O 3pz -0.022692 0.006821 -0.020760 -0.038803 0.033311 0.018690 30O 3px -0.181244 -0.084353 -0.032095 -0.010750 0.003413 -0.113009 30O 3py 0.043696 0.102454 0.033960 -0.000792 0.019529 -0.121728 30O 1dz2 -0.013802 0.026481 0.004230 0.003510 -0.049718 0.050920 30O 1dxz -0.015368 -0.000604 0.007115 -0.001852 0.007300 -0.011892 30O 1dyz 0.033210 -0.000736 -0.012191 0.017696 0.017852 -0.011107 30O 1dx2y2 0.008125 0.026376 -0.006400 -0.003964 -0.022952 0.019797 30O 1dxy 0.019453 0.005125 -0.016265 0.006697 0.016366 -0.007111 30O 2dz2 0.000695 0.007872 -0.006162 -0.008483 0.016140 -0.010783 30O 2dxz 0.000043 -0.002856 -0.024385 -0.005768 -0.019762 0.040391 30O 2dyz 0.012778 0.001287 -0.005244 -0.010694 -0.001524 0.020126 30O 2dx2y2 0.000141 0.007567 0.011478 -0.002703 0.007241 -0.016364 30O 2dxy -0.000310 0.004532 0.037776 0.010542 -0.010433 -0.007479 30O 1f0 0.210955 0.027760 -0.180971 0.039658 0.149923 -0.156806 30O 1f+1 0.076872 0.169784 -0.141850 0.061866 0.018299 0.012118 30O 1f-1 0.075241 -0.187179 0.085836 0.004877 -0.249721 0.244460 30O 1f+2 0.066771 0.125567 -0.099093 0.036211 -0.084314 0.097359 30O 1f-2 0.248017 -0.044677 -0.129530 0.064308 0.004294 0.004859 30O 1f+3 0.035615 -0.156357 0.038991 0.014514 0.082282 -0.075172 30O 1f-3 -0.168217 -0.015067 0.098100 -0.073385 0.156862 -0.202190 31O 1s 0.000638 0.000131 -0.000493 -0.001176 -0.000084 -0.000311 31O 2s 0.002243 0.000716 -0.000535 -0.004647 -0.000316 -0.001852 31O 3s -0.021894 -0.012651 -0.022352 0.067296 0.006925 0.039518 31O 4s 0.058324 0.053898 0.192545 -0.261033 -0.035312 -0.164434 31O 5s -0.650747 -0.368073 -0.106031 0.030501 -0.001727 -0.176999 31O 1pz -0.002023 -0.005287 -0.011074 -0.005262 -0.000007 0.001666 31O 1px -0.002909 -0.005240 -0.007004 -0.009337 -0.002412 -0.004429 31O 1py 0.005521 0.003925 0.018338 0.007765 -0.000357 -0.006413 31O 2pz -0.031026 0.011061 0.081567 -0.010520 -0.036174 -0.083370 31O 2px 0.027746 0.016419 -0.049484 0.093627 0.014965 0.074533 31O 2py 0.026284 0.007760 -0.119987 0.009347 -0.008346 0.047155 31O 3pz 0.022419 -0.007499 0.018543 -0.041918 0.031782 -0.018300 31O 3px 0.181040 0.085318 0.032311 -0.011408 0.005745 0.112786 31O 3py -0.044370 -0.101792 -0.032448 0.003283 0.021535 0.120837 31O 1dz2 -0.013737 0.026506 0.004236 -0.003230 0.050115 0.050242 31O 1dxz -0.015316 -0.000612 0.007147 0.001756 -0.007282 -0.011702 31O 1dyz 0.033079 -0.000799 -0.012352 -0.018280 -0.017972 -0.010763 31O 1dx2y2 0.008177 0.026380 -0.006360 0.004018 0.023092 0.019488 31O 1dxy 0.019415 0.005088 -0.016166 -0.006915 -0.016289 -0.006867 31O 2dz2 0.000719 0.007949 -0.006087 0.008376 -0.016178 -0.010664 31O 2dxz -0.000044 -0.002622 -0.024329 0.006450 0.020259 0.040104 31O 2dyz 0.012574 0.001418 -0.005366 0.010575 0.001901 0.020077 31O 2dx2y2 0.000070 0.007447 0.011437 0.002162 -0.007389 -0.016212 31O 2dxy -0.000179 0.004334 0.037603 -0.010951 0.010236 -0.007534 31O 1f0 -0.210223 -0.027082 0.180562 0.040546 0.151039 0.154409 31O 1f+1 -0.076465 -0.169284 0.141733 0.062392 0.018125 -0.012585 31O 1f-1 -0.074764 0.187194 -0.085648 0.002165 -0.251243 -0.240977 31O 1f+2 -0.066511 -0.125265 0.099042 0.035531 -0.085026 -0.096539 31O 1f-2 -0.247023 0.045447 0.129372 0.064487 0.004259 -0.005303 31O 1f+3 -0.035141 0.156646 -0.039067 0.015185 0.082765 0.074307 31O 1f-3 0.167408 0.014497 -0.098098 -0.072191 0.158467 0.200481 32O 1s -0.000306 -0.000022 0.000166 -0.000685 -0.000106 0.000073 32O 2s -0.000759 -0.000109 0.000760 -0.002467 -0.000341 0.000227 32O 3s 0.002093 0.001864 -0.011001 0.036692 0.003421 -0.001655 32O 4s -0.004068 -0.007275 -0.019629 -0.030610 -0.009930 0.007302 32O 5s 0.078790 0.011540 0.259539 -0.404594 0.020143 -0.036334 32O 1pz -0.006469 -0.001413 0.001749 -0.003133 -0.000240 -0.002601 32O 1px 0.004875 -0.003965 -0.013072 0.025158 0.000215 0.000381 32O 1py -0.002696 -0.000399 -0.010030 0.018826 0.000117 0.000600 32O 2pz 0.020401 0.004860 0.006116 -0.020965 0.001133 0.006654 32O 2px -0.018604 0.009752 0.012685 -0.010062 -0.000935 0.002049 32O 2py 0.015502 0.000109 0.042871 -0.091722 -0.000266 -0.003755 32O 3pz -0.015905 -0.013065 -0.006818 -0.028012 -0.002060 -0.064963 32O 3px -0.002161 -0.000376 0.026642 0.026405 0.005731 -0.026598 32O 3py 0.031322 0.004501 0.098637 -0.229049 0.004437 -0.004520 32O 1dz2 -0.006381 -0.002270 -0.039174 0.088959 -0.000026 0.017565 32O 1dxz -0.003675 -0.002346 -0.032347 0.070336 -0.000327 -0.025528 32O 1dyz 0.006561 0.001066 0.013835 -0.028254 -0.000030 -0.023095 32O 1dx2y2 -0.001157 -0.003111 0.007890 -0.024044 0.000417 -0.013785 32O 1dxy -0.008623 0.004567 -0.022504 0.034498 0.000074 -0.005880 32O 2dz2 -0.000854 0.000841 -0.017016 0.023862 -0.000034 0.001835 32O 2dxz -0.001446 -0.001987 -0.015598 0.018778 -0.000394 -0.004553 32O 2dyz 0.004869 0.000625 0.006427 -0.017318 0.000181 -0.006726 32O 2dx2y2 -0.003569 -0.000302 0.007912 0.000624 0.000330 -0.002504 32O 2dxy -0.006797 0.002137 -0.006346 0.018623 0.000025 -0.001096 32O 1f0 -0.014872 0.002893 -0.031476 0.071378 -0.000436 0.017718 32O 1f+1 0.025315 0.000689 0.051414 -0.112613 -0.002888 -0.043104 32O 1f-1 -0.002891 0.000078 -0.045084 0.085560 -0.000609 0.009731 32O 1f+2 -0.024728 0.006391 -0.109576 0.223977 -0.000310 0.073361 32O 1f-2 -0.040000 0.012551 -0.093848 0.187757 -0.000719 -0.018204 32O 1f+3 -0.079819 0.008049 -0.262127 0.532773 -0.000729 -0.029742 32O 1f-3 -0.060860 0.022709 -0.070700 0.148563 -0.000181 0.020785 33O 1s -0.000207 -0.000344 -0.000026 -0.000150 0.000025 -0.000317 33O 2s -0.001128 -0.001266 0.000560 -0.001018 0.000045 -0.001723 33O 3s 0.019112 0.012493 -0.024126 0.019159 -0.001055 0.030777 33O 4s -0.075079 -0.030741 0.169344 -0.080597 0.003786 -0.117542 33O 5s 0.570032 0.367033 -0.234688 -0.172086 -0.001385 -0.006118 33O 1pz 0.010403 0.000947 -0.012434 -0.001347 0.001034 -0.000084 33O 1px 0.006710 -0.001577 -0.004589 -0.008018 0.000064 0.000229 33O 1py 0.006043 0.004978 -0.009938 -0.007729 -0.000053 0.002860 33O 2pz -0.003758 0.031031 0.081967 -0.020428 0.015498 -0.047621 33O 2px -0.026243 -0.012042 -0.030151 0.065357 0.007243 0.031936 33O 2py -0.001365 -0.005967 0.037216 0.028418 -0.024112 0.013966 33O 3pz -0.062967 -0.069765 0.096086 0.134655 -0.023772 -0.059898 33O 3px -0.104145 -0.099904 0.049283 -0.013842 -0.014179 0.092423 33O 3py -0.118491 -0.020719 0.056696 0.024945 0.025976 -0.076111 33O 1dz2 -0.003578 0.038352 -0.003744 -0.013293 -0.044143 0.034960 33O 1dxz 0.002625 0.014358 0.004391 -0.001489 -0.005548 -0.003195 33O 1dyz 0.031778 0.002958 0.019565 0.013861 0.028287 -0.029238 33O 1dx2y2 -0.017704 0.005360 -0.008966 0.002507 -0.012310 0.008365 33O 1dxy -0.005163 0.010498 -0.000802 0.007403 -0.025358 0.014895 33O 2dz2 0.001226 0.009400 -0.005519 -0.010092 0.009073 -0.011279 33O 2dxz 0.003710 -0.000570 -0.027770 0.005086 -0.006899 0.022814 33O 2dyz 0.009857 0.002224 -0.014459 -0.006848 -0.011328 0.005194 33O 2dx2y2 -0.007042 0.005467 0.013562 -0.003098 -0.005911 -0.007893 33O 2dxy 0.002326 0.000853 -0.007708 -0.002464 0.017321 -0.016569 33O 1f0 0.103838 -0.050322 0.033138 0.011140 -0.291900 0.248931 33O 1f+1 0.090581 -0.123790 0.025368 0.033478 -0.010563 -0.005914 33O 1f-1 -0.063989 -0.210629 -0.156050 -0.057648 0.040406 -0.040839 33O 1f+2 0.155879 -0.164655 0.046464 0.038169 -0.070515 0.064096 33O 1f-2 -0.119844 -0.166679 -0.179111 -0.082657 -0.068537 0.087545 33O 1f+3 -0.131357 0.129608 -0.077565 -0.019141 -0.150252 0.138095 33O 1f-3 0.053331 0.168048 0.128435 0.091337 0.067177 -0.103059 34O 1s 0.000198 0.000496 -0.000238 0.000316 0.000084 0.000353 34O 2s 0.000490 0.001870 -0.000128 0.001818 0.000257 0.001706 34O 3s 0.002818 -0.024709 -0.015661 -0.033595 -0.000537 -0.025870 34O 4s -0.022778 0.090873 0.143400 0.118522 -0.001161 0.093477 34O 5s -0.693853 -0.388000 -0.276282 0.296444 -0.010637 -0.000825 34O 1pz -0.003166 -0.005488 -0.007143 0.006588 0.002204 0.003544 34O 1px 0.005310 -0.004282 -0.000771 -0.007891 -0.000902 -0.000084 34O 1py 0.004311 0.004502 0.014630 -0.009247 0.000847 0.002309 34O 2pz -0.006885 0.011159 0.027040 -0.029060 0.018620 0.013205 34O 2px -0.099679 0.007617 0.051481 0.101525 0.002324 0.040938 34O 2py 0.029510 0.002491 -0.055686 0.023472 0.019772 0.012060 34O 3pz 0.144895 0.025991 0.095002 -0.087997 -0.020573 -0.039445 34O 3px -0.110330 -0.040350 0.005537 -0.044177 -0.004171 0.085750 34O 3py -0.106904 -0.114945 -0.104853 0.070984 -0.021494 -0.077631 34O 1dz2 -0.011016 0.020433 -0.005396 0.009844 -0.020291 -0.018878 34O 1dxz -0.019350 0.009070 -0.005376 0.012439 -0.041864 -0.041706 34O 1dyz 0.032829 0.000390 -0.006628 0.004923 0.018758 0.012574 34O 1dx2y2 0.010866 0.027875 -0.019204 0.004713 -0.026443 -0.029479 34O 1dxy 0.011670 0.015561 -0.008464 -0.004504 -0.022588 -0.018395 34O 2dz2 0.011649 0.004662 -0.009596 -0.012866 -0.004266 -0.013630 34O 2dxz -0.003852 -0.002504 -0.001678 0.003393 0.020409 0.018726 34O 2dyz 0.007691 0.005372 0.017524 -0.011451 -0.002854 -0.007779 34O 2dx2y2 -0.016702 0.013283 0.024868 0.015405 0.004533 0.016808 34O 2dxy 0.018861 0.004338 0.000671 -0.014702 0.015034 0.008970 34O 1f0 -0.185923 -0.207001 0.228534 -0.127134 0.049769 0.063696 34O 1f+1 -0.040672 0.002351 0.000939 0.004399 -0.215675 -0.231690 34O 1f-1 -0.232277 0.211725 0.067154 -0.024735 0.118470 0.107151 34O 1f+2 -0.193821 -0.109547 0.179888 -0.066223 -0.033953 -0.037809 34O 1f-2 0.036939 0.066989 -0.016993 0.035870 0.140996 0.119925 34O 1f+3 0.019403 -0.038670 0.033088 0.005194 0.179446 0.198366 34O 1f-3 0.047818 -0.087130 -0.005742 0.017999 -0.089385 -0.101077 35O 1s -0.000831 -0.000247 -0.000603 0.000856 -0.000206 0.000491 35O 2s -0.003199 -0.000730 -0.000791 0.003449 -0.000750 0.002501 35O 3s 0.041134 0.003655 -0.021610 -0.053656 0.007783 -0.043312 35O 4s -0.143938 -0.004692 0.189801 0.217132 -0.018023 0.152594 35O 5s 0.615047 0.414252 -0.049934 0.013292 -0.018000 0.192386 35O 1pz 0.006794 0.003593 -0.018439 0.011005 0.000304 -0.001799 35O 1px 0.001315 -0.002519 -0.004835 0.000983 0.002090 -0.005740 35O 1py 0.004247 0.002221 -0.012029 0.005476 0.002615 -0.006338 35O 2pz 0.001718 0.012608 0.072439 -0.044547 -0.018350 0.029816 35O 2px 0.001518 0.049139 0.112621 0.065674 -0.017933 0.099911 35O 2py 0.007580 0.015500 0.090625 0.010389 0.017248 0.025742 35O 3pz -0.156809 -0.106090 0.044661 0.051422 0.014711 0.005554 35O 3px 0.065053 0.059715 0.004015 0.044182 -0.004687 0.149167 35O 3py -0.107012 0.017372 0.038921 -0.001484 -0.025997 0.124677 35O 1dz2 0.003174 0.034292 0.015185 -0.011497 0.024915 -0.014244 35O 1dxz 0.001406 0.018727 0.003822 0.001056 0.028697 -0.030866 35O 1dyz 0.029776 0.008736 0.016999 -0.011017 -0.005684 0.010997 35O 1dx2y2 -0.020510 0.008943 -0.005516 -0.008183 0.039464 -0.032775 35O 1dxy 0.004643 -0.002021 -0.005154 -0.007223 -0.023533 0.017631 35O 2dz2 0.006862 0.000688 -0.030494 -0.008183 0.001732 -0.015439 35O 2dxz 0.002481 0.007125 0.006160 -0.001077 -0.014932 0.015893 35O 2dyz 0.012995 0.003908 -0.009645 0.004312 -0.005680 0.011649 35O 2dx2y2 -0.010135 0.009881 0.024424 0.004885 -0.017427 0.037570 35O 2dxy -0.001945 0.010431 0.029666 0.013630 0.015808 0.008495 35O 1f0 0.152194 -0.219468 0.032607 0.006189 0.075697 -0.049116 35O 1f+1 0.120875 0.074148 0.157578 -0.048972 0.197965 -0.156820 35O 1f-1 -0.242643 -0.184869 -0.265350 0.096558 0.077788 -0.084012 35O 1f+2 0.067926 -0.102377 0.023291 0.040583 0.163233 -0.171327 35O 1f-2 0.092508 -0.060859 0.033405 -0.019100 -0.066461 0.086511 35O 1f+3 -0.034504 -0.071932 -0.069660 0.030928 -0.111997 0.088398 35O 1f-3 0.009289 0.054128 0.028587 -0.012979 -0.129512 0.124210 636 637 638 639 640 641 5.31587 5.38915 5.40447 5.40826 5.43750 5.44443 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s -0.000260 0.000087 -0.000695 0.000328 0.000182 0.000024 0Rh 2s 0.001964 -0.000774 0.005201 -0.002659 -0.001438 -0.000156 0Rh 3s -0.000401 0.000068 -0.001107 0.000401 0.000248 0.000054 0Rh 4s -0.011822 0.004680 -0.031782 0.016196 0.008729 0.000953 0Rh 5s 0.029531 -0.012599 0.083025 -0.043318 -0.022664 -0.002331 0Rh 6s -0.030043 0.016429 -0.095626 0.054771 0.025696 0.002358 0Rh 7s 0.095994 -0.018057 0.206927 -0.061540 -0.044155 -0.020423 0Rh 8s -0.033577 0.049629 -0.071902 0.145784 -0.023395 0.013360 0Rh 1pz 0.003580 0.002854 -0.005577 0.002850 0.017091 0.006573 0Rh 1px -0.006579 -0.002023 0.015368 -0.008197 0.005983 0.005719 0Rh 1py 0.020764 -0.001738 0.002476 -0.005424 -0.000048 -0.000205 0Rh 2pz -0.014742 -0.011728 0.022974 -0.011770 -0.070260 -0.026905 0Rh 2px 0.027043 0.008387 -0.063328 0.033832 -0.024664 -0.023518 0Rh 2py -0.085524 0.007121 -0.010141 0.022285 0.000183 0.000825 0Rh 3pz 0.045623 0.035622 -0.070831 0.036716 0.214092 0.079907 0Rh 3px -0.082792 -0.026807 0.195705 -0.105233 0.076488 0.071820 0Rh 3py 0.265128 -0.021322 0.030330 -0.067863 -0.000291 -0.002203 0Rh 4pz -0.056345 -0.040795 0.084524 -0.044232 -0.249902 -0.087704 0Rh 4px 0.099952 0.034030 -0.234722 0.125941 -0.093083 -0.084826 0Rh 4py -0.327634 0.023964 -0.034501 0.079805 -0.000342 0.001637 0Rh 5pz 0.035832 0.013238 -0.035627 0.015531 0.099913 0.019811 0Rh 5px -0.062134 -0.013669 0.100734 -0.042875 0.041622 0.038902 0Rh 5py 0.189480 -0.007551 0.013182 -0.033356 0.001091 0.001844 0Rh 6pz -0.148727 0.064569 -0.061471 0.129116 0.357520 0.591901 0Rh 6px 0.225475 -0.125282 0.132117 -0.349383 0.200668 0.139026 0Rh 6py -0.564807 -0.070571 0.170471 -0.170011 -0.015712 -0.035866 0Rh 1dz2 0.001687 -0.008232 -0.001586 0.004069 0.004281 0.002916 0Rh 1dxz 0.004224 -0.003576 -0.002039 0.002473 -0.010288 -0.008096 0Rh 1dyz -0.001032 0.004402 0.002853 -0.004432 -0.006746 -0.005269 0Rh 1dx2y2 -0.007592 -0.006962 0.001682 0.000864 -0.002561 -0.002099 0Rh 1dxy -0.000044 0.001954 -0.008400 0.007977 -0.001227 -0.000678 0Rh 2dz2 -0.000064 -0.002112 0.000245 0.000653 -0.001263 -0.000935 0Rh 2dxz -0.000438 -0.000836 0.000410 0.000334 0.002162 0.001577 0Rh 2dyz 0.000254 0.001088 -0.000517 0.000438 0.000714 0.000286 0Rh 2dx2y2 0.000687 -0.001673 -0.000398 0.000221 0.000877 0.000394 0Rh 2dxy 0.000394 -0.000754 0.001339 -0.001597 0.000133 -0.000148 0Rh 3dz2 -0.007670 0.049010 0.006329 -0.022443 -0.014478 -0.009498 0Rh 3dxz -0.017926 0.020936 0.007653 -0.013282 0.039297 0.031486 0Rh 3dyz 0.003706 -0.026017 -0.011219 0.019096 0.029268 0.024228 0Rh 3dx2y2 0.032631 0.040885 -0.005907 -0.005284 0.008131 0.008260 0Rh 3dxy -0.001657 -0.005800 0.033995 -0.030695 0.005333 0.004058 0Rh 4dz2 0.014954 -0.105160 -0.010328 0.046723 0.021736 0.013497 0Rh 4dxz 0.033514 -0.044862 -0.011335 0.026497 -0.069842 -0.055686 0Rh 4dyz -0.006207 0.055840 0.019974 -0.035556 -0.058077 -0.050014 0Rh 4dx2y2 -0.061108 -0.087191 0.007052 0.012989 -0.011532 -0.014978 0Rh 4dxy 0.005009 0.008281 -0.062991 0.054328 -0.010683 -0.009871 0Rh 5dz2 -0.020857 0.157381 0.005030 -0.066701 -0.002917 0.007465 0Rh 5dxz -0.041938 0.067806 -0.002996 -0.030730 0.077640 0.042478 0Rh 5dyz 0.003695 -0.085606 -0.017989 0.039227 0.083146 0.076043 0Rh 5dx2y2 0.075391 0.132564 0.013511 -0.028663 -0.007210 0.011825 0Rh 5dxy -0.010622 -0.003125 0.074214 -0.057261 0.012677 0.020241 0Rh 1f0 0.009082 -0.000453 0.002605 -0.005384 -0.000457 0.000513 0Rh 1f+1 -0.001940 0.000136 -0.001302 0.003002 0.002645 0.006195 0Rh 1f-1 0.006106 -0.001393 0.000892 -0.000232 0.004509 0.002067 0Rh 1f+2 0.001498 0.001450 -0.004776 0.004770 -0.007990 -0.003855 0Rh 1f-2 0.000268 0.001080 0.001802 -0.000174 -0.000971 -0.000682 0Rh 1f+3 -0.001021 0.004257 -0.006843 0.006467 0.002493 0.004359 0Rh 1f-3 -0.012944 0.000899 0.003796 0.000971 -0.001567 0.000672 1Rh 1s -0.000252 -0.000080 -0.000675 -0.000372 -0.000185 0.000036 1Rh 2s 0.001906 0.000719 0.005041 0.002987 0.001457 -0.000248 1Rh 3s -0.000384 -0.000057 -0.001082 -0.000471 -0.000252 0.000072 1Rh 4s -0.011468 -0.004348 -0.030802 -0.018200 -0.008847 0.001515 1Rh 5s 0.028630 0.011732 0.080400 0.048558 0.022976 -0.003801 1Rh 6s -0.029089 -0.015430 -0.092281 -0.060814 -0.026061 0.004073 1Rh 7s 0.094816 0.016013 0.204063 0.074422 0.044864 -0.024202 1Rh 8s -0.034542 -0.049571 -0.062672 -0.151364 0.022761 0.014405 1Rh 1pz -0.003578 0.002637 0.005541 0.003447 0.016995 -0.007215 1Rh 1px 0.006649 -0.001871 -0.014694 -0.009115 0.005818 -0.005809 1Rh 1py -0.020819 -0.001863 -0.002205 -0.005608 0.000147 -0.000230 1Rh 2pz 0.014735 -0.010836 -0.022822 -0.014222 -0.069868 0.029548 1Rh 2px -0.027330 0.007761 0.060551 0.037619 -0.023986 0.023885 1Rh 2py 0.085750 0.007635 0.009028 0.023038 -0.000617 0.000964 1Rh 3pz -0.045580 0.032925 0.070302 0.044211 0.212948 -0.087981 1Rh 3px 0.083619 -0.024874 -0.187111 -0.117004 0.074402 -0.072949 1Rh 3py -0.265792 -0.022874 -0.026945 -0.070113 0.002089 -0.003267 1Rh 4pz 0.056239 -0.037702 -0.083820 -0.053060 -0.248700 0.097181 1Rh 4px -0.100772 0.031721 0.224534 0.140255 -0.090579 0.086168 1Rh 4py 0.328341 0.025738 0.030511 0.082358 -0.002963 0.004788 1Rh 5pz -0.035636 0.012012 0.035586 0.019298 0.099822 -0.023730 1Rh 5px 0.062249 -0.012703 -0.097366 -0.049439 0.040509 -0.039368 1Rh 5py -0.189579 -0.008238 -0.011491 -0.034271 0.001716 -0.004440 1Rh 6pz 0.147850 0.067621 0.058428 0.137165 0.341175 -0.603776 1Rh 6px -0.225573 -0.122605 -0.101585 -0.353113 0.192854 -0.146247 1Rh 6py 0.560911 -0.069767 -0.161163 -0.186005 0.001181 0.026408 1Rh 1dz2 0.001694 0.008178 -0.001400 -0.004307 -0.004226 0.003135 1Rh 1dxz 0.004148 0.003659 -0.001654 -0.002502 0.010063 -0.008451 1Rh 1dyz -0.001048 -0.004473 0.002259 0.004383 0.006502 -0.005401 1Rh 1dx2y2 -0.007576 0.006949 0.001850 -0.000700 0.002381 -0.002067 1Rh 1dxy -0.000065 -0.001876 -0.007958 -0.008629 0.001371 -0.000930 1Rh 2dz2 -0.000083 0.002119 0.000330 -0.000618 0.001239 -0.000981 1Rh 2dxz -0.000440 0.000826 0.000408 -0.000329 -0.002120 0.001658 1Rh 2dyz 0.000235 -0.001072 -0.000489 -0.000459 -0.000697 0.000292 1Rh 2dx2y2 0.000694 0.001676 -0.000381 -0.000256 -0.000846 0.000404 1Rh 2dxy 0.000393 0.000750 0.001242 0.001694 -0.000172 -0.000092 1Rh 3dz2 -0.007611 -0.048785 0.005054 0.023413 0.014330 -0.010332 1Rh 3dxz -0.017554 -0.021281 0.005830 0.013386 -0.038417 0.032810 1Rh 3dyz 0.003876 0.026286 -0.008501 -0.018752 -0.028168 0.024841 1Rh 3dx2y2 0.032524 -0.040843 -0.006791 0.004686 -0.007408 0.008053 1Rh 3dxy -0.001552 0.005445 0.032346 0.033368 -0.005836 0.005010 1Rh 4dz2 0.014705 0.104726 -0.007563 -0.048479 -0.021592 0.014911 1Rh 4dxz 0.032752 0.045485 -0.007810 -0.026544 0.068288 -0.058021 1Rh 4dyz -0.006687 -0.056321 0.014543 0.034616 0.055844 -0.051280 1Rh 4dx2y2 -0.060827 0.087144 0.008950 -0.012181 0.010192 -0.014457 1Rh 4dxy 0.004788 -0.007585 -0.060203 -0.059374 0.011463 -0.011540 1Rh 5dz2 -0.019804 -0.156780 0.001372 0.068766 0.003457 0.006546 1Rh 5dxz -0.040688 -0.068428 -0.007396 0.029749 -0.076540 0.045194 1Rh 5dyz 0.005145 0.086206 -0.009675 -0.036182 -0.079981 0.078054 1Rh 5dx2y2 0.074499 -0.132650 0.010496 0.029501 0.008598 0.010278 1Rh 5dxy -0.010169 0.002241 0.072215 0.063805 -0.012693 0.021763 1Rh 1f0 -0.009113 -0.000422 -0.002282 -0.005560 -0.000466 -0.000568 1Rh 1f+1 0.001970 0.000218 0.001224 0.003198 0.002488 -0.006323 1Rh 1f-1 -0.006152 -0.001268 -0.000892 -0.000372 0.004504 -0.002354 1Rh 1f+2 -0.001495 0.001275 0.004247 0.005029 -0.007810 0.004067 1Rh 1f-2 -0.000290 0.001128 -0.001718 -0.000265 -0.000835 0.000595 1Rh 1f+3 0.001065 0.004238 0.006492 0.006958 0.002334 -0.004392 1Rh 1f-3 0.012955 0.000975 -0.003938 0.000664 -0.001442 -0.000697 2C 1s -0.000483 0.000239 0.000014 -0.000245 0.001273 -0.000298 2C 2s -0.000369 0.000225 -0.000087 -0.000432 0.001898 0.000105 2C 3s -0.019194 0.014480 0.019144 0.011610 -0.008700 -0.037359 2C 4s 0.093600 -0.082984 -0.124925 -0.054097 -0.002698 0.155450 2C 5s 0.026914 0.041378 0.158416 0.124657 -0.034235 -0.207990 2C 1pz -0.000476 0.000666 0.001597 0.004054 -0.007705 -0.001780 2C 1px -0.002092 0.000209 -0.000026 -0.000000 -0.001253 -0.004811 2C 1py -0.001024 0.001928 0.001552 0.000435 -0.005301 -0.003142 2C 2pz -0.030765 0.012391 -0.074526 -0.058576 -0.003874 0.038302 2C 2px 0.011517 -0.020201 -0.012108 -0.019435 -0.000869 0.034275 2C 2py 0.082437 -0.114945 -0.060342 0.009030 0.007551 0.047136 2C 3pz 0.053591 -0.040509 0.029180 0.041615 0.008021 -0.015329 2C 3px 0.016226 0.027090 0.011532 0.013626 -0.018733 -0.013949 2C 3py -0.038749 0.065265 0.036100 -0.006213 -0.000068 -0.040602 2C 1dz2 0.000215 -0.003009 0.000783 0.000919 -0.013565 0.003349 2C 1dxz 0.012829 -0.011252 -0.005144 -0.002453 -0.003292 0.000246 2C 1dyz 0.001649 -0.003770 -0.003476 0.002800 -0.011547 0.004269 2C 1dx2y2 0.005529 -0.007428 0.001778 0.002169 0.000290 0.000433 2C 1dxy -0.005367 0.008242 -0.002119 -0.006002 -0.002198 -0.001948 2C 2dz2 0.048334 -0.060123 -0.016487 0.004197 -0.004592 0.015234 2C 2dxz 0.044055 -0.018870 -0.014063 0.002614 -0.017372 0.001637 2C 2dyz -0.025680 0.002169 -0.019201 -0.021991 0.009486 0.020318 2C 2dx2y2 0.028581 -0.030683 0.011227 0.005738 0.000686 0.011099 2C 2dxy -0.016298 0.035236 -0.011055 -0.016642 0.003626 0.006602 2C 1f0 0.038353 -0.044445 0.003493 0.014040 -0.012250 0.008863 2C 1f+1 -0.029382 0.031176 0.004255 -0.013885 -0.012220 -0.002670 2C 1f-1 -0.026392 0.022716 0.001311 -0.007397 -0.011799 0.002054 2C 1f+2 -0.018128 0.018199 0.000876 -0.009990 0.003760 -0.014123 2C 1f-2 0.061167 -0.037280 -0.009434 0.008038 -0.003766 0.017814 2C 1f+3 0.060020 -0.051966 -0.008765 0.011880 -0.000265 0.004831 2C 1f-3 0.000827 -0.007891 0.001233 0.005429 0.000826 -0.000852 3C 1s 0.000037 0.000038 0.000217 0.000042 0.000950 0.000048 3C 2s 0.000029 0.000077 0.000039 0.000422 0.001189 -0.000185 3C 3s 0.015996 -0.004565 0.032489 -0.033040 0.005964 0.021899 3C 4s -0.074262 0.038569 -0.198322 0.169871 -0.055788 -0.094419 3C 5s 0.045094 -0.083594 0.165104 -0.186352 0.081442 0.051310 3C 1pz -0.000862 -0.001018 0.000587 -0.001052 -0.000342 0.003806 3C 1px 0.005142 -0.000023 0.002186 -0.003271 -0.004225 -0.001924 3C 1py -0.001186 -0.000650 -0.003464 0.004641 0.007287 -0.004246 3C 2pz 0.038108 0.061223 -0.059928 0.026771 -0.034179 -0.048673 3C 2px 0.000447 0.052515 -0.042678 0.016228 0.009179 -0.011631 3C 2py 0.051238 0.033544 0.111260 -0.101907 0.000355 0.051500 3C 3pz -0.006818 -0.031305 0.023495 -0.006342 0.028265 0.018549 3C 3px -0.070815 -0.074068 0.018360 0.011915 -0.002108 0.008411 3C 3py -0.043975 -0.022811 -0.032210 0.043011 -0.005677 0.008532 3C 1dz2 0.002689 0.003409 -0.000328 0.002247 -0.001379 0.001699 3C 1dxz -0.010861 -0.011184 0.001711 0.002640 -0.006044 -0.000900 3C 1dyz 0.000474 0.004211 0.005771 -0.004221 0.012701 0.000816 3C 1dx2y2 -0.005072 -0.005517 0.006358 -0.000058 0.001807 0.002196 3C 1dxy -0.002547 -0.005156 -0.000460 0.004665 0.007129 0.005174 3C 2dz2 0.004231 -0.004709 0.012998 -0.006676 -0.014686 0.006643 3C 2dxz -0.051721 -0.041655 -0.001693 0.018947 -0.012212 -0.002741 3C 2dyz 0.004456 0.008442 0.030101 -0.038189 0.005060 0.017965 3C 2dx2y2 -0.068554 -0.060614 0.027269 0.006074 0.002983 0.028731 3C 2dxy 0.051230 0.023358 0.015159 -0.018222 -0.005767 -0.002680 3C 1f0 -0.043482 -0.042010 0.005712 0.013984 0.001812 0.015786 3C 1f+1 0.034731 0.031101 -0.000566 -0.006686 -0.009837 -0.008110 3C 1f-1 0.020821 0.031388 -0.003334 -0.012558 0.009086 -0.004371 3C 1f+2 0.014126 0.018559 0.007902 -0.014875 0.010977 -0.000332 3C 1f-2 -0.012731 -0.025406 0.002242 0.004761 0.014135 0.005109 3C 1f+3 -0.060442 -0.051185 0.005492 0.013552 -0.006172 0.009093 3C 1f-3 -0.026600 -0.012126 0.006683 0.000567 -0.001064 0.004264 4C 1s -0.000074 -0.000185 0.000465 -0.000211 -0.001676 0.000491 4C 2s -0.000323 0.000028 0.001318 -0.000004 -0.003466 0.000269 4C 3s 0.023645 -0.022815 -0.033143 -0.029306 0.047484 0.092863 4C 4s -0.130735 0.109831 0.126498 0.142707 -0.140959 -0.449859 4C 5s -0.041884 0.008294 -0.032718 -0.064709 0.083995 -0.068672 4C 1pz -0.005585 0.002584 0.008133 0.004721 0.003294 -0.001341 4C 1px 0.023015 -0.002706 -0.002293 -0.002691 0.011896 0.006349 4C 1py 0.001336 0.002956 0.003571 0.001541 0.008244 0.000788 4C 2pz 0.070380 -0.019859 -0.058831 -0.001031 0.004631 0.033813 4C 2px -0.238245 -0.028546 -0.096660 -0.055397 -0.153431 -0.208163 4C 2py -0.017855 -0.043039 -0.068354 -0.020357 -0.069394 -0.055100 4C 3pz 0.068075 0.057771 0.114920 0.095729 -0.022493 -0.175703 4C 3px -0.115173 -0.009919 0.034637 0.004923 -0.030106 0.088874 4C 3py 0.033183 -0.002527 0.075784 0.065843 -0.039178 -0.065793 4C 1dz2 -0.022478 0.018738 -0.004035 -0.007413 0.023968 0.002852 4C 1dxz 0.021721 -0.028586 -0.012396 0.000828 0.010815 -0.004228 4C 1dyz 0.015822 -0.019676 -0.007673 0.000956 0.018189 -0.006331 4C 1dx2y2 0.040752 -0.032115 0.005629 0.019497 -0.018014 -0.005948 4C 1dxy -0.059675 0.049623 -0.004454 -0.013825 -0.007446 -0.005731 4C 2dz2 0.027630 0.013228 0.055430 0.018497 -0.000508 0.045542 4C 2dxz -0.017241 -0.023972 -0.024228 -0.031709 -0.048522 -0.016889 4C 2dyz -0.007061 0.020463 0.040051 0.035263 -0.013383 -0.028471 4C 2dx2y2 0.015766 -0.025680 -0.022009 0.009534 -0.014095 -0.058291 4C 2dxy -0.044149 0.023848 -0.011168 -0.020318 -0.043836 -0.110501 4C 1f0 0.066564 -0.052444 -0.016249 0.010919 0.009217 0.013957 4C 1f+1 -0.069882 0.043969 0.012392 -0.004076 -0.008421 0.013322 4C 1f-1 -0.020938 0.026519 -0.000617 -0.004792 -0.022493 0.014401 4C 1f+2 -0.028301 0.036751 0.009082 0.005970 0.027632 0.002099 4C 1f-2 0.014278 -0.031393 -0.003544 0.009399 -0.018254 -0.008058 4C 1f+3 0.086085 -0.057168 -0.001634 0.036246 0.006463 0.034856 4C 1f-3 0.041199 -0.019034 0.010497 0.004945 -0.017565 0.047262 5C 1s -0.000286 -0.000464 0.000547 0.000080 -0.001230 -0.000170 5C 2s -0.000422 -0.000797 0.001513 -0.000384 -0.002457 0.000166 5C 3s -0.007890 -0.005871 -0.049024 0.036867 0.023960 -0.077025 5C 4s 0.012808 0.045703 0.191107 -0.162585 -0.049337 0.382872 5C 5s -0.015069 0.092966 -0.054916 0.105114 0.035817 0.125937 5C 1pz 0.008762 -0.001628 0.003270 -0.001973 0.004132 -0.000252 5C 1px -0.027599 -0.004409 0.010564 -0.005236 -0.003803 0.004706 5C 1py -0.006630 0.001932 -0.006648 0.005775 -0.007873 -0.000224 5C 2pz -0.081697 0.038917 -0.086574 0.046092 -0.037757 0.053961 5C 2px 0.241720 -0.000457 0.002073 0.012207 0.062683 -0.142252 5C 2py 0.071795 -0.039856 0.118418 -0.084009 0.069488 -0.041670 5C 3pz -0.020464 -0.008026 0.064846 -0.062487 -0.000241 0.017852 5C 3px 0.170583 0.022082 -0.007258 -0.056107 0.030974 0.103910 5C 3py 0.008707 0.038381 -0.105580 0.091847 0.006939 -0.062126 5C 1dz2 0.023803 0.027944 -0.002886 -0.005431 0.006907 -0.000242 5C 1dxz -0.047222 -0.047208 -0.005102 0.019783 0.015397 -0.005655 5C 1dyz 0.005905 -0.001852 0.008732 -0.004147 -0.013265 -0.006177 5C 1dx2y2 0.003115 -0.009844 0.010933 -0.009282 -0.015423 -0.002153 5C 1dxy -0.038701 -0.041409 -0.000122 0.006705 -0.011669 0.001477 5C 2dz2 -0.006318 0.010227 -0.019974 0.018063 -0.029115 -0.034923 5C 2dxz -0.014958 -0.062986 0.040860 -0.004989 0.007964 -0.023185 5C 2dyz -0.010726 -0.008588 -0.042354 0.037815 0.036364 -0.064571 5C 2dx2y2 -0.016108 -0.006069 -0.014196 0.026875 0.010947 0.017812 5C 2dxy -0.019329 0.026395 -0.058305 0.046391 -0.025809 0.060295 5C 1f0 -0.043197 -0.054242 0.018978 0.005877 0.017640 -0.009810 5C 1f+1 0.031179 0.043376 -0.010822 -0.012634 0.008387 -0.004684 5C 1f-1 0.044372 0.028256 0.002272 -0.006127 -0.011366 -0.013299 5C 1f+2 0.034989 0.028585 -0.005592 0.003971 0.004860 0.005981 5C 1f-2 -0.065323 -0.029886 0.001998 0.014384 0.008402 0.042516 5C 1f+3 -0.066066 -0.061746 -0.010104 0.029159 -0.019987 0.016677 5C 1f-3 0.008562 -0.003263 -0.011068 0.005624 0.031606 0.016866 6C 1s -0.000278 0.000468 0.000589 -0.000016 0.001226 -0.000162 6C 2s -0.000418 0.000797 0.001537 0.000538 0.002474 0.000179 6C 3s -0.006135 0.006222 -0.043847 -0.042061 -0.027650 -0.077181 6C 4s 0.003882 -0.047341 0.165367 0.182997 0.067142 0.383520 6C 5s -0.017862 -0.092298 -0.053187 -0.110509 -0.030206 0.125539 6C 1pz -0.008726 -0.001618 -0.003250 -0.002243 0.004166 0.000342 6C 1px 0.027609 -0.004430 -0.010216 -0.006271 -0.004026 -0.004787 6C 1py 0.006722 0.001851 0.006418 0.006440 -0.007920 0.000210 6C 2pz 0.082374 0.038388 0.084680 0.053499 -0.041440 -0.055090 6C 2px -0.241377 0.001474 0.003355 0.018349 0.071844 0.143593 6C 2py -0.073749 -0.039138 -0.116141 -0.096385 0.072419 0.041383 6C 3pz 0.021763 -0.006444 -0.058759 -0.064043 -0.000739 -0.018344 6C 3px -0.170191 0.023269 0.012494 -0.050473 0.023491 -0.103818 6C 3py -0.011773 0.036360 0.096511 0.094405 0.010273 0.061953 6C 1dz2 0.024248 -0.027924 -0.003299 0.005428 -0.006936 0.000039 6C 1dxz -0.047641 0.047373 -0.003423 -0.020106 -0.015677 -0.005441 6C 1dyz 0.005981 0.001716 0.008728 0.004526 0.013002 -0.006351 6C 1dx2y2 0.002890 0.009697 0.010280 0.009594 0.015391 -0.002060 6C 1dxy -0.039046 0.041537 0.001267 -0.006660 0.011866 0.001533 6C 2dz2 -0.006121 -0.009356 -0.016445 -0.019268 0.028434 -0.035863 6C 2dxz -0.013793 0.062452 0.042550 0.007956 -0.010782 -0.023466 6C 2dyz -0.009378 0.008292 -0.039981 -0.043031 -0.039994 -0.064151 6C 2dx2y2 -0.017564 0.005444 -0.016190 -0.030489 -0.011051 0.017151 6C 2dxy -0.020420 -0.025436 -0.055257 -0.050193 0.029580 0.060685 6C 1f0 0.043458 -0.054134 -0.019764 0.004184 0.018743 0.009345 6C 1f+1 -0.032045 0.043214 0.011308 -0.011816 0.008085 0.003805 6C 1f-1 -0.044480 0.028180 -0.001435 -0.006446 -0.011038 0.014305 6C 1f+2 -0.035123 0.028490 0.005283 0.003928 0.004176 -0.005578 6C 1f-2 0.066003 -0.029958 -0.003020 0.014024 0.006489 -0.042438 6C 1f+3 0.066340 -0.061805 0.006343 0.030389 -0.020449 -0.016582 6C 1f-3 -0.008301 -0.003228 0.011380 0.006126 0.030917 -0.017784 7C 1s -0.000076 0.000177 0.000463 0.000210 0.001699 0.000399 7C 2s -0.000339 -0.000042 0.001330 0.000038 0.003484 0.000092 7C 3s 0.025579 0.022953 -0.033652 0.027758 -0.043961 0.094033 7C 4s -0.139875 -0.109909 0.128247 -0.135194 0.123359 -0.450586 7C 5s -0.040158 -0.006406 -0.041637 0.069377 -0.085731 -0.064297 7C 1pz 0.005550 0.002828 -0.008809 0.004740 0.003304 0.001099 7C 1px -0.023026 -0.003169 0.002798 -0.002485 0.011810 -0.006901 7C 1py -0.001276 0.002980 -0.003779 0.001621 0.008310 -0.001157 7C 2pz -0.068949 -0.021859 0.066847 -0.007539 0.004213 -0.033993 7C 2px 0.236193 -0.028011 0.089497 -0.048321 -0.149303 0.214689 7C 2py 0.017064 -0.044559 0.070509 -0.021475 -0.068474 0.057303 7C 3pz -0.066730 0.056980 -0.119755 0.083268 -0.015929 0.174395 7C 3px 0.116503 -0.007060 -0.036384 0.001536 -0.030024 -0.087484 7C 3py -0.033113 -0.002121 -0.081343 0.058637 -0.035895 0.066159 7C 1dz2 -0.022623 -0.018772 -0.005133 0.007055 -0.023895 0.003927 7C 1dxz 0.022266 0.028874 -0.011552 -0.002086 -0.010920 -0.003665 7C 1dyz 0.015965 0.019753 -0.007685 -0.001555 -0.018537 -0.005247 7C 1dx2y2 0.040814 0.032222 0.007289 -0.018770 0.017937 -0.006793 7C 1dxy -0.060141 -0.049570 -0.005568 0.013600 0.007272 -0.006069 7C 2dz2 0.027436 -0.014379 0.056187 -0.016526 0.001650 0.045711 7C 2dxz -0.014967 0.025251 -0.021060 0.025973 0.048817 -0.018729 7C 2dyz -0.008138 -0.021422 0.043326 -0.035427 0.012396 -0.029271 7C 2dx2y2 0.015385 0.026521 -0.022906 -0.008281 0.012106 -0.057311 7C 2dxy -0.043536 -0.022327 -0.011191 0.018647 0.039966 -0.111932 7C 1f0 -0.066920 -0.052760 0.014709 0.012045 0.008400 -0.013574 7C 1f+1 0.070298 0.044676 -0.012010 -0.005169 -0.008696 -0.012112 7C 1f-1 0.021033 0.026071 0.001621 -0.005510 -0.022426 -0.013164 7C 1f+2 0.028989 0.036709 -0.008222 0.005567 0.028407 -0.003457 7C 1f-2 -0.014304 -0.030670 0.002175 0.009087 -0.018591 0.008813 7C 1f+3 -0.086366 -0.057221 -0.000679 0.036518 0.005438 -0.034998 7C 1f-3 -0.041510 -0.019268 -0.010970 0.004736 -0.018851 -0.046670 8C 1s 0.000041 -0.000038 0.000212 -0.000002 -0.000951 0.000045 8C 2s 0.000033 -0.000074 0.000065 -0.000401 -0.001200 -0.000192 8C 3s 0.015965 0.004346 0.029871 0.036799 -0.005077 0.021954 8C 4s -0.074588 -0.037601 -0.186699 -0.192738 0.052139 -0.094588 8C 5s 0.043597 0.080476 0.148953 0.194778 -0.078211 0.052980 8C 1pz 0.000848 -0.001033 -0.000525 -0.001137 -0.000492 -0.003876 8C 1px -0.005059 -0.000043 -0.001866 -0.003596 -0.004155 0.001943 8C 1py 0.001131 -0.000694 0.003181 0.004960 0.007446 0.004143 8C 2pz -0.039285 0.062883 0.059094 0.033201 -0.032533 0.049922 8C 2px -0.001020 0.051945 0.041723 0.022071 0.009796 0.011878 8C 2py -0.051511 0.034681 -0.105037 -0.114272 -0.001976 -0.050894 8C 3pz 0.008363 -0.032280 -0.022257 -0.007365 0.027203 -0.019451 8C 3px 0.070630 -0.072941 -0.020081 0.010348 -0.001773 -0.008310 8C 3py 0.044121 -0.023861 0.028476 0.044071 -0.005366 -0.008738 8C 1dz2 0.002616 -0.003326 -0.000148 -0.002229 0.001486 0.001439 8C 1dxz -0.011055 0.011284 0.001901 -0.002658 0.005933 -0.000981 8C 1dyz 0.000486 -0.004268 0.005269 0.005010 -0.012649 0.001049 8C 1dx2y2 -0.005210 0.005586 0.006237 0.000716 -0.001718 0.002043 8C 1dxy -0.002622 0.005240 -0.000001 -0.004542 -0.006926 0.005211 8C 2dz2 0.003092 0.005337 0.012744 0.007764 0.015034 0.006204 8C 2dxz -0.052444 0.042069 -0.000314 -0.019863 0.011942 -0.002887 8C 2dyz 0.004998 -0.009481 0.027494 0.041517 -0.004275 0.018234 8C 2dx2y2 -0.068963 0.060726 0.028649 -0.003328 -0.002305 0.028532 8C 2dxy 0.050151 -0.022096 0.013707 0.020250 0.005990 -0.002649 8C 1f0 0.043944 -0.042092 -0.006983 0.013517 0.001422 -0.015819 8C 1f+1 -0.035030 0.031055 0.001239 -0.006729 -0.009698 0.008599 8C 1f-1 -0.021177 0.031513 0.004492 -0.012286 0.009113 0.003825 8C 1f+2 -0.014401 0.018662 -0.006397 -0.015765 0.010902 0.000273 8C 1f-2 0.012844 -0.025403 -0.002646 0.004089 0.014234 -0.005377 8C 1f+3 0.060793 -0.051203 -0.006869 0.013585 -0.006144 -0.009370 8C 1f-3 0.026835 -0.012227 -0.006821 0.000049 -0.001165 -0.004036 9C 1s -0.000482 -0.000241 0.000001 0.000217 -0.001282 -0.000232 9C 2s -0.000359 -0.000222 -0.000113 0.000402 -0.001888 0.000202 9C 3s -0.019964 -0.014877 0.020222 -0.012143 0.007243 -0.037607 9C 4s 0.096824 0.085452 -0.131439 0.058061 0.008793 0.154538 9C 5s 0.023951 -0.042767 0.167699 -0.115885 0.024454 -0.206733 9C 1pz 0.000602 0.000654 -0.001874 0.004020 -0.007555 0.002159 9C 1px 0.002121 0.000226 -0.000006 -0.000132 -0.001224 0.004926 9C 1py 0.001044 0.002001 -0.001616 0.000401 -0.005318 0.003413 9C 2pz 0.029847 0.011899 0.080655 -0.060787 -0.006180 -0.037302 9C 2px -0.009486 -0.017860 0.013487 -0.019982 -0.001498 -0.034079 9C 2py -0.084093 -0.117544 0.060204 0.008639 0.005816 -0.047630 9C 3pz -0.053384 -0.040176 -0.032743 0.039385 0.009068 0.014473 9C 3px -0.018962 0.023640 -0.011944 0.014203 -0.018658 0.013736 9C 3py 0.039736 0.065954 -0.034812 -0.008829 0.001336 0.040053 9C 1dz2 0.000291 0.003057 0.000833 -0.000557 0.013623 0.002825 9C 1dxz 0.012966 0.011515 -0.005093 0.002244 0.003316 0.000062 9C 1dyz 0.001810 0.003893 -0.003300 -0.002495 0.011868 0.003531 9C 1dx2y2 0.005729 0.007604 0.002060 -0.002273 -0.000346 0.000637 9C 1dxy -0.005531 -0.008164 -0.002537 0.006009 0.002140 -0.002141 9C 2dz2 0.048892 0.059818 -0.015592 -0.003556 0.005823 0.015281 9C 2dxz 0.046471 0.021854 -0.013897 -0.004098 0.017097 0.001441 9C 2dyz -0.025165 -0.001481 -0.021697 0.022903 -0.008542 0.020343 9C 2dx2y2 0.030563 0.032243 0.012361 -0.006748 -0.000325 0.011809 9C 2dxy -0.015178 -0.033757 -0.012661 0.015600 -0.003512 0.006945 9C 1f0 -0.039351 -0.044651 -0.004977 0.013770 -0.012753 -0.008802 9C 1f+1 0.030277 0.031333 -0.003076 -0.014460 -0.011845 0.003283 9C 1f-1 0.026288 0.022549 -0.000548 -0.008137 -0.011957 -0.001349 9C 1f+2 0.018596 0.018185 -0.000200 -0.009638 0.004521 0.013884 9C 1f-2 -0.060866 -0.037272 0.008508 0.008523 -0.004346 -0.017481 9C 1f+3 -0.060815 -0.052393 0.007393 0.012641 -0.000772 -0.005048 9C 1f-3 -0.001092 -0.008073 -0.001569 0.005200 0.000624 0.001148 10H 1s -0.003632 0.010077 -0.003081 -0.007525 0.003719 -0.011424 10H 2s -0.013060 0.018900 -0.015934 0.007469 -0.014191 -0.028461 10H 3s 0.024101 -0.032786 -0.008941 -0.014376 0.030028 0.023558 10H 1pz -0.001081 0.001678 -0.001436 0.000799 -0.001967 -0.007893 10H 1px 0.009490 -0.011396 0.005464 0.004341 -0.000581 0.009746 10H 1py 0.012042 -0.011248 -0.000482 0.004735 -0.001672 -0.003022 11H 1s -0.037745 0.025914 0.003779 -0.009293 0.005965 -0.009847 11H 2s -0.079162 0.072411 0.001084 -0.030975 0.002810 -0.000765 11H 3s 0.053073 -0.050054 -0.012169 0.022035 -0.005159 0.038061 11H 1pz -0.009230 0.010864 0.000880 -0.002400 -0.000797 -0.002383 11H 1px -0.021700 0.017615 0.001923 -0.007560 0.002446 -0.003163 11H 1py 0.038266 -0.030501 -0.001202 0.011092 -0.002523 0.007121 12H 1s 0.032934 -0.035509 -0.000513 0.010172 0.000150 -0.000212 12H 2s 0.042083 -0.083319 -0.001886 0.018915 -0.002385 0.014194 12H 3s -0.045443 0.072408 0.005121 -0.025225 -0.008237 0.004281 12H 1pz -0.039783 0.037656 0.006836 -0.009600 -0.003986 -0.005976 12H 1px 0.006575 -0.014316 0.000168 0.002864 0.002117 0.002044 12H 1py 0.013236 -0.025197 0.001034 0.008251 -0.002095 0.000133 13H 1s -0.019753 -0.017206 0.005779 -0.003642 0.005444 -0.000605 13H 2s 0.008278 -0.011953 0.002187 0.000903 -0.014718 -0.007288 13H 3s 0.015701 0.040359 -0.007303 0.004338 0.003928 -0.008602 13H 1pz 0.010158 0.003130 0.003615 -0.005635 -0.002170 -0.004338 13H 1px 0.018732 0.020200 -0.000300 -0.004593 -0.002894 -0.001608 13H 1py -0.010178 -0.004607 -0.004177 0.004424 0.003132 0.004126 14H 1s 0.046067 0.036934 -0.003013 -0.011762 0.009813 -0.009630 14H 2s 0.057031 0.070225 -0.007040 -0.032872 -0.002544 0.001867 14H 3s -0.049422 -0.062082 -0.006300 0.047379 -0.003503 0.012100 14H 1pz 0.005537 0.006109 0.000770 -0.006005 0.000223 0.002701 14H 1px 0.028151 0.029140 -0.001870 -0.011232 0.003689 -0.002892 14H 1py 0.035985 0.035790 -0.005613 -0.008491 0.000608 -0.010552 15H 1s -0.016209 -0.020022 0.003284 0.007462 0.005954 0.002654 15H 2s -0.036998 -0.060713 -0.002477 0.024235 0.001376 0.013871 15H 3s 0.026391 0.044521 -0.010937 -0.000119 -0.032867 -0.025165 15H 1pz 0.022122 0.025899 -0.000549 -0.010825 -0.002323 -0.005747 15H 1px 0.005430 0.004001 0.000027 -0.001026 0.001590 -0.000025 15H 1py 0.003101 0.013445 -0.001857 -0.002123 -0.000136 -0.002995 16H 1s -0.013546 0.005787 -0.018413 0.014628 0.012195 0.016753 16H 2s 0.140514 -0.015236 0.044428 -0.043445 -0.056184 -0.042206 16H 3s -0.004698 0.007270 -0.013717 0.014728 0.021753 0.025831 16H 1pz 0.042570 -0.010354 0.045106 -0.040575 0.032628 0.036720 16H 1px 0.007963 0.043164 -0.154771 0.135033 -0.164383 -0.169051 16H 1py -0.024403 0.029130 -0.121096 0.106963 -0.095872 -0.078831 17H 1s -0.014390 0.008643 -0.021118 0.015363 -0.006204 -0.014821 17H 2s 0.137396 -0.013525 0.036571 -0.038384 0.020281 0.007352 17H 3s -0.004471 0.006562 -0.014604 0.014963 -0.019714 -0.019462 17H 1pz -0.042729 -0.021659 0.051651 -0.045982 -0.051073 -0.055644 17H 1px -0.019566 0.050990 -0.154045 0.140946 0.147819 0.158727 17H 1py -0.018131 0.037591 -0.123268 0.109609 0.097387 0.081361 18H 1s -0.014104 -0.008793 -0.019533 -0.015779 0.006150 -0.015621 18H 2s 0.135531 0.014293 0.036517 0.043221 -0.016476 0.004972 18H 3s -0.004577 -0.006702 -0.013407 -0.015895 0.018574 -0.019808 18H 1pz 0.042022 -0.021720 -0.050205 -0.051172 -0.050425 0.058590 18H 1px 0.018777 0.049681 0.144165 0.150679 0.143773 -0.165197 18H 1py 0.018771 0.036314 0.114079 0.115304 0.094072 -0.083613 19H 1s -0.013389 -0.005165 -0.017830 -0.016573 -0.012344 0.017853 19H 2s 0.138861 0.014329 0.040189 0.044122 0.056367 -0.044081 19H 3s -0.004349 -0.006668 -0.012491 -0.015399 -0.020806 0.026102 19H 1pz -0.042565 -0.010450 -0.044128 -0.045313 0.032224 -0.038325 19H 1px -0.007297 0.041342 0.144641 0.145140 -0.158272 0.173045 19H 1py 0.023537 0.028059 0.115208 0.117483 -0.092757 0.080713 20H 1s -0.016657 0.020494 0.003851 -0.007246 -0.005951 0.002707 20H 2s -0.037664 0.062126 -0.000252 -0.024492 -0.001267 0.013877 20H 3s 0.027254 -0.045334 -0.010329 -0.000878 0.032081 -0.026217 20H 1pz -0.022830 0.026616 0.001441 -0.010944 -0.002296 0.005846 20H 1px -0.005369 0.003730 0.000050 -0.000980 0.001619 -0.000023 20H 1py -0.003045 0.013573 0.002052 -0.001883 -0.000066 0.002881 21H 1s 0.046483 -0.037022 -0.004187 0.011675 -0.009976 -0.009529 21H 2s 0.058249 -0.071100 -0.009654 0.032287 0.002753 0.001162 21H 3s -0.049977 0.062441 -0.002155 -0.047636 0.003546 0.012336 21H 1pz -0.006068 0.006661 -0.000307 -0.006207 0.000145 -0.002563 21H 1px -0.028401 0.029167 0.002815 -0.011108 0.003688 0.003013 21H 1py -0.036370 0.035862 0.006606 -0.008169 0.000810 0.010643 22H 1s -0.019414 0.016734 0.005443 0.004349 -0.005540 -0.000545 22H 2s 0.008280 0.011176 0.001711 -0.000512 0.014329 -0.007485 22H 3s 0.015249 -0.039247 -0.007410 -0.004982 -0.003895 -0.008555 22H 1pz -0.010287 0.003456 -0.002978 -0.006039 -0.002011 0.004388 22H 1px -0.018416 0.019721 0.000633 -0.004376 -0.002987 0.001557 22H 1py 0.009865 -0.004324 0.003712 0.004788 0.003023 -0.004102 23H 1s 0.033133 0.035338 0.000641 -0.010295 -0.000065 -0.000002 23H 2s 0.042731 0.084332 0.000294 -0.019256 0.002906 0.014654 23H 3s -0.045120 -0.072151 0.002431 0.026088 0.008900 0.003981 23H 1pz 0.040001 0.037683 -0.005749 -0.009980 -0.003522 0.006222 23H 1px -0.006124 -0.013649 -0.000529 0.002762 0.002015 -0.002128 23H 1py -0.013557 -0.025714 -0.001888 0.008365 -0.002109 -0.000248 24H 1s -0.038909 -0.026893 0.002896 0.009659 -0.006339 -0.009914 24H 2s -0.080543 -0.074124 -0.001867 0.031776 -0.002623 -0.001234 24H 3s 0.054703 0.051612 -0.009834 -0.022921 0.006906 0.037839 24H 1pz 0.008950 0.010814 -0.000620 -0.002316 -0.000836 0.002402 24H 1px 0.022988 0.018762 -0.001209 -0.008060 0.002582 0.003334 24H 1py -0.038998 -0.031083 0.000060 0.011465 -0.002796 -0.007257 25H 1s -0.002834 -0.009125 -0.003770 0.006991 -0.004227 -0.011150 25H 2s -0.012734 -0.017771 -0.015328 -0.008343 0.013693 -0.029259 25H 3s 0.023244 0.031310 -0.009987 0.015027 -0.029137 0.024376 25H 1pz 0.001727 0.002108 0.001283 0.000719 -0.001879 0.008245 25H 1px -0.008489 -0.010217 -0.005850 0.003644 -0.000908 -0.009590 25H 1py -0.011803 -0.011078 -0.000130 0.004688 -0.001683 0.003031 26O 1s 0.000387 0.000332 0.000041 -0.000030 -0.000132 -0.000562 26O 2s 0.001833 0.001144 0.000404 0.000022 -0.000234 -0.001123 26O 3s -0.030980 -0.010949 -0.012439 -0.004612 0.005118 -0.013878 26O 4s 0.110426 0.025334 0.071786 0.036239 -0.047864 0.105034 26O 5s 0.074302 -0.020091 -0.025916 -0.047886 0.363516 0.415217 26O 1pz -0.000723 -0.010666 0.001769 0.000571 0.004295 0.008307 26O 1px 0.000607 -0.004935 0.003657 -0.002429 0.012290 0.009274 26O 1py -0.005439 0.017893 0.001680 -0.005858 0.010345 0.009818 26O 2pz 0.020823 0.008145 -0.013314 0.003276 -0.015612 -0.045969 26O 2px -0.035730 0.002812 -0.041264 -0.001461 -0.060643 -0.145835 26O 2py -0.031575 -0.019302 -0.016187 -0.003466 -0.050794 -0.092451 26O 3pz -0.106907 0.018790 0.004698 -0.035299 0.060049 0.073141 26O 3px -0.191873 0.029933 0.014599 0.017631 -0.066386 -0.043084 26O 3py -0.048818 -0.024572 -0.020521 0.036830 0.071730 0.096179 26O 1dz2 0.027159 0.010630 -0.004524 -0.013175 -0.010737 0.003455 26O 1dxz 0.018962 -0.012670 -0.003615 0.004982 -0.000780 0.000487 26O 1dyz -0.001634 -0.014701 -0.005794 0.004765 0.021859 0.006795 26O 1dx2y2 0.038886 -0.017826 0.003659 -0.003234 -0.000582 -0.000229 26O 1dxy -0.025181 0.030347 -0.001078 -0.010698 0.009229 0.000466 26O 2dz2 -0.008153 0.003973 -0.005588 -0.002275 -0.011350 -0.025431 26O 2dxz -0.016615 0.016011 0.007189 0.000315 -0.004371 0.009751 26O 2dyz 0.000459 0.004212 -0.000334 0.002410 0.001018 0.004990 26O 2dx2y2 -0.002875 0.013038 0.007919 -0.009270 0.009045 0.025596 26O 2dxy 0.031794 -0.011492 0.004677 0.009061 0.014945 0.036365 26O 1f0 -0.073255 0.124501 0.004741 -0.040706 -0.004491 -0.020299 26O 1f+1 -0.226271 0.176531 0.026180 -0.040188 -0.026236 -0.039883 26O 1f-1 -0.092924 0.072236 0.017815 -0.019448 -0.005061 -0.022211 26O 1f+2 -0.143659 0.182321 0.010117 -0.058836 0.012896 0.007125 26O 1f-2 0.072297 -0.029702 0.008536 0.009486 -0.043691 -0.006469 26O 1f+3 0.123611 -0.104885 -0.004188 0.034378 -0.003684 0.024760 26O 1f-3 0.141067 -0.110599 -0.012851 0.030259 -0.013480 0.025647 27O 1s -0.000177 0.000152 -0.000041 -0.000209 0.000049 -0.000534 27O 2s -0.001233 0.000438 -0.000219 -0.000603 0.000067 -0.001576 27O 3s 0.026248 -0.001631 0.005426 0.004230 0.009121 0.014074 27O 4s -0.103592 -0.005366 -0.011066 -0.022238 -0.086390 -0.033013 27O 5s -0.010383 0.007352 -0.095049 0.131486 0.136366 0.028275 27O 1pz -0.004238 -0.016129 -0.005399 0.010274 -0.002782 0.000431 27O 1px 0.001356 -0.001525 -0.002416 0.004609 0.006008 -0.000422 27O 1py 0.001716 -0.010404 0.003513 0.002234 -0.003343 -0.002934 27O 2pz -0.016486 0.014362 0.015281 -0.021797 0.012000 0.001307 27O 2px 0.042585 -0.001046 0.035937 -0.034432 0.007161 -0.012101 27O 2py -0.032863 0.005870 -0.020846 0.009201 0.013727 0.018175 27O 3pz 0.089151 0.057333 -0.040184 0.033915 0.001271 -0.004852 27O 3px 0.135424 0.044096 -0.056675 0.067201 0.062152 0.134863 27O 3py -0.033639 0.004022 0.057816 -0.070426 -0.127385 -0.154257 27O 1dz2 -0.011906 0.017457 0.011233 -0.011641 -0.024482 -0.001057 27O 1dxz -0.029586 -0.023775 -0.005609 0.012516 -0.000425 0.006072 27O 1dyz 0.023795 -0.001639 -0.002110 -0.004305 -0.008430 -0.004502 27O 1dx2y2 -0.011118 0.000453 0.001154 0.002067 -0.011153 -0.003307 27O 1dxy -0.018195 -0.025561 0.009589 -0.002147 -0.008417 -0.006992 27O 2dz2 0.009808 0.000316 0.007716 -0.005856 -0.000654 -0.001681 27O 2dxz 0.024345 0.018415 -0.004704 -0.000265 -0.002857 0.001988 27O 2dyz -0.000835 -0.004592 0.000774 -0.002152 -0.004662 -0.003451 27O 2dx2y2 -0.013603 0.006196 -0.007715 0.003891 -0.011490 -0.005384 27O 2dxy 0.017192 0.009273 0.010825 -0.010538 -0.006668 -0.009620 27O 1f0 0.001701 -0.024127 -0.006802 0.012334 -0.006812 0.007553 27O 1f+1 0.196146 0.177781 -0.020378 -0.051015 0.022649 -0.033594 27O 1f-1 -0.074509 -0.167601 -0.006496 0.051871 0.009050 0.015187 27O 1f+2 0.048615 0.044078 -0.004616 -0.004063 -0.011791 0.005912 27O 1f-2 -0.159907 -0.135873 -0.005680 0.061579 0.038982 0.043121 27O 1f+3 -0.141386 -0.152544 0.017240 0.040528 -0.028496 0.025743 27O 1f-3 0.066670 0.087622 0.003185 -0.032690 0.001971 -0.016120 28O 1s -0.000328 0.000059 -0.000204 -0.000149 -0.000097 0.000650 28O 2s -0.001739 0.000134 -0.000795 -0.000720 -0.000476 0.001919 28O 3s 0.029037 0.002527 0.010753 0.013044 0.017781 -0.017560 28O 4s -0.111241 -0.012047 -0.018702 -0.034643 -0.125156 0.042368 28O 5s 0.011826 -0.068031 -0.128711 -0.145931 0.180467 -0.070953 28O 1pz -0.003850 0.008581 -0.004607 -0.009421 0.003059 -0.001668 28O 1px -0.002199 0.005426 -0.000035 -0.001363 -0.006452 0.000890 28O 1py -0.000282 -0.014222 -0.000203 0.007080 0.004381 -0.002920 28O 2pz 0.016574 0.010497 0.032610 0.051577 0.010248 0.017422 28O 2px -0.041854 -0.017695 -0.020395 -0.029129 -0.006831 -0.016387 28O 2py 0.030857 0.010556 0.003753 -0.005430 -0.016841 0.016194 28O 3pz 0.154096 -0.054740 -0.056350 -0.065080 0.136519 -0.167148 28O 3px -0.029604 -0.024323 -0.016378 0.002812 -0.040790 0.082604 28O 3py -0.028004 0.046460 -0.015998 -0.031701 0.118669 -0.140468 28O 1dz2 -0.039598 0.004583 -0.001436 -0.010605 0.002780 -0.007716 28O 1dxz -0.009187 -0.011633 0.012326 0.010684 -0.009231 -0.001098 28O 1dyz 0.019701 -0.010147 -0.006905 -0.002236 0.027888 -0.008282 28O 1dx2y2 -0.009453 -0.017568 0.005294 0.002853 -0.005949 0.003377 28O 1dxy -0.027816 0.026074 0.003957 -0.005892 0.003773 0.001567 28O 2dz2 0.011736 -0.013938 -0.006512 -0.007484 0.003535 -0.006476 28O 2dxz 0.011105 0.009130 0.013132 0.015074 0.009604 -0.000038 28O 2dyz -0.014468 0.008473 -0.004074 -0.008568 0.013573 -0.010563 28O 2dx2y2 -0.019282 -0.000896 -0.003340 -0.005425 -0.008582 0.003971 28O 2dxy 0.017970 -0.012215 0.002349 0.005796 -0.000753 0.003791 28O 1f0 0.324311 -0.298034 -0.024542 0.099156 -0.002609 0.043810 28O 1f+1 0.022119 -0.036232 -0.004808 0.012202 0.004084 0.006626 28O 1f-1 -0.052640 0.019048 0.019489 0.007743 -0.046918 0.022656 28O 1f+2 0.065427 -0.112057 -0.002930 0.035257 0.009325 0.005427 28O 1f-2 0.040015 -0.080264 -0.004525 0.019440 0.023536 0.005547 28O 1f+3 0.165742 -0.097509 -0.028465 0.039749 0.018750 0.036771 28O 1f-3 -0.039637 0.072343 0.004421 -0.019953 -0.034806 0.000017 29O 1s 0.001128 -0.001058 0.002153 -0.002700 0.000096 -0.000302 29O 2s 0.003273 -0.003457 0.007247 -0.008846 0.000379 -0.000829 29O 3s -0.022844 0.034929 -0.075751 0.090005 -0.004775 0.006408 29O 4s 0.069195 -0.083302 0.188965 -0.224582 0.008554 -0.018255 29O 5s -0.314597 0.109312 -0.244198 0.317156 0.011844 0.059210 29O 1pz -0.001652 -0.001005 0.006739 -0.004297 -0.008421 -0.014832 29O 1px 0.001350 0.005753 -0.027427 0.018987 -0.001713 -0.007220 29O 1py -0.004683 0.007476 -0.026661 0.023897 0.001043 0.002243 29O 2pz 0.014974 0.000616 -0.010909 0.006007 0.027486 0.058753 29O 2px -0.025404 -0.011822 0.058603 -0.037069 0.010397 0.029886 29O 2py 0.028887 -0.019000 0.070707 -0.064259 -0.005985 -0.010904 29O 3pz 0.007154 0.019437 -0.049857 0.057367 -0.087521 -0.097412 29O 3px 0.025493 -0.062788 0.161958 -0.179551 -0.025437 -0.051281 29O 3py 0.157433 -0.011441 0.036082 -0.041495 -0.004030 -0.004784 29O 1dz2 0.018202 -0.009122 0.028428 -0.018160 0.056832 0.056688 29O 1dxz 0.006254 0.003372 -0.021572 0.023236 -0.107711 -0.096515 29O 1dyz -0.000945 -0.000973 -0.001859 -0.001462 -0.091290 -0.083153 29O 1dx2y2 0.012709 -0.036052 0.089494 -0.082952 -0.045789 -0.048339 29O 1dxy -0.009416 0.011084 -0.029324 0.025478 -0.023987 -0.021550 29O 2dz2 0.002488 0.001002 0.006673 -0.005828 0.015567 0.010285 29O 2dxz -0.000127 0.003665 -0.013207 0.011947 -0.030170 -0.023919 29O 2dyz -0.005905 -0.001127 0.000439 -0.000948 -0.023066 -0.031945 29O 2dx2y2 0.007243 -0.012295 0.041452 -0.037208 -0.011388 -0.010320 29O 2dxy 0.010116 0.006205 -0.020782 0.016728 -0.006791 -0.011308 29O 1f0 -0.043569 0.075812 -0.298403 0.268796 -0.105063 -0.065306 29O 1f+1 0.045813 -0.070271 0.306938 -0.268215 0.398507 0.414251 29O 1f-1 0.013193 -0.080510 0.273330 -0.252121 -0.024154 -0.043092 29O 1f+2 -0.024735 -0.067905 0.146072 -0.145264 -0.478309 -0.457561 29O 1f-2 -0.032501 -0.086984 0.270199 -0.242125 0.185322 0.168474 29O 1f+3 -0.121972 0.046990 -0.237756 0.207760 0.262824 0.245305 29O 1f-3 -0.028868 -0.133092 0.385486 -0.342267 -0.137887 -0.142193 30O 1s 0.000384 -0.000267 -0.000293 -0.000193 -0.000284 0.000530 30O 2s 0.001886 -0.001006 -0.000713 -0.000701 -0.000816 0.001226 30O 3s -0.028072 0.016675 -0.000310 0.010862 0.011320 0.005540 30O 4s 0.086374 -0.072723 0.037850 -0.055462 -0.051950 -0.059916 30O 5s 0.051994 -0.000193 -0.007270 0.102225 0.238642 -0.343025 30O 1pz 0.001230 0.016792 0.003939 0.000475 0.003470 -0.006379 30O 1px 0.001696 0.005393 -0.000637 -0.005887 -0.005738 0.003262 30O 1py 0.002154 0.010014 -0.001756 -0.004778 -0.010914 0.010724 30O 2pz 0.009355 -0.000155 -0.028422 -0.007009 -0.012916 0.064980 30O 2px 0.021323 -0.030476 0.018360 0.009223 0.027355 -0.071117 30O 2py 0.022930 -0.021446 0.022911 -0.001452 0.045877 -0.092287 30O 3pz -0.176323 -0.030297 0.043312 0.048374 -0.009099 0.034857 30O 3px 0.088244 -0.012412 -0.016417 0.036868 0.035786 -0.054503 30O 3py 0.102924 -0.047283 -0.027321 -0.006003 -0.091112 0.088888 30O 1dz2 0.033237 0.012731 -0.000166 -0.003468 -0.015813 0.001899 30O 1dxz -0.002120 -0.026518 -0.003636 0.010631 -0.011051 -0.001761 30O 1dyz -0.013894 0.000018 0.002083 -0.010300 -0.004977 0.004978 30O 1dx2y2 0.023288 -0.004338 0.003610 0.006321 -0.012190 0.000243 30O 1dxy -0.020792 -0.021744 0.002325 0.003975 -0.000116 0.003443 30O 2dz2 -0.020253 -0.014982 0.003463 0.004174 -0.008371 0.007812 30O 2dxz 0.005500 0.015611 -0.005130 -0.003544 -0.003975 0.020115 30O 2dyz -0.011255 0.005227 -0.005927 0.000608 -0.002195 0.018801 30O 2dx2y2 -0.001144 -0.008285 -0.003743 0.008161 0.001631 -0.001953 30O 2dxy 0.016701 0.003632 0.005515 -0.006396 0.007759 -0.026287 30O 1f0 -0.123323 -0.116858 0.001781 0.036354 0.027932 0.006781 30O 1f+1 -0.031878 -0.035669 -0.001130 0.007641 -0.000463 0.019196 30O 1f-1 0.213193 0.273830 -0.012620 -0.078658 0.004067 -0.048231 30O 1f+2 0.087582 0.052562 -0.015653 -0.002881 -0.000765 -0.025939 30O 1f-2 -0.009143 0.025093 -0.004649 -0.008780 0.010611 0.001381 30O 1f+3 -0.101262 -0.043667 -0.000077 0.011935 0.009488 0.037586 30O 1f-3 -0.119735 -0.139553 -0.004127 0.052225 0.043169 0.019941 31O 1s 0.000397 0.000261 -0.000288 0.000144 0.000311 0.000520 31O 2s 0.001938 0.000982 -0.000704 0.000553 0.000873 0.001192 31O 3s -0.028899 -0.016328 -0.000402 -0.009699 -0.010869 0.005939 31O 4s 0.089494 0.071171 0.037918 0.054011 0.048060 -0.060899 31O 5s 0.054800 0.001551 -0.001873 -0.098033 -0.257936 -0.343834 31O 1pz -0.001191 0.016755 -0.003722 0.000082 0.003826 0.006427 31O 1px -0.001674 0.005395 0.000859 -0.005840 -0.005957 -0.003246 31O 1py -0.002059 0.010035 0.002215 -0.004661 -0.011552 -0.010551 31O 2pz -0.009111 -0.000208 0.029149 -0.005009 -0.016915 -0.065517 31O 2px -0.022471 -0.030094 -0.019134 0.008564 0.031584 0.071173 31O 2py -0.023981 -0.021338 -0.023424 -0.002891 0.051063 0.091660 31O 3pz 0.179077 -0.031134 -0.042889 0.041704 -0.007747 -0.034001 31O 3px -0.089665 -0.012191 0.011903 0.038532 0.039226 0.055788 31O 3py -0.104607 -0.045967 0.021541 0.000292 -0.095958 -0.086789 31O 1dz2 0.033523 -0.012764 -0.000272 0.003310 0.015879 0.001277 31O 1dxz -0.002238 0.026645 -0.002662 -0.010735 0.011016 -0.002174 31O 1dyz -0.013867 -0.000180 0.001703 0.009958 0.005220 0.005335 31O 1dx2y2 0.023466 0.004284 0.004355 -0.006285 0.012319 -0.000208 31O 1dxy -0.020905 0.021753 0.002753 -0.003874 0.000277 0.003456 31O 2dz2 -0.020550 0.014981 0.003986 -0.003918 0.008657 0.007549 31O 2dxz 0.005248 -0.015475 -0.005868 0.003524 0.005225 0.020269 31O 2dyz -0.011375 -0.005249 -0.005692 -0.001189 0.003292 0.019013 31O 2dx2y2 -0.000985 0.008161 -0.002692 -0.008809 -0.001795 -0.002047 31O 2dxy 0.017252 -0.003759 0.005360 0.006485 -0.009179 -0.026197 31O 1f0 0.124396 -0.116865 -0.005171 0.035697 0.028662 -0.008125 31O 1f+1 0.032038 -0.035681 0.000191 0.008393 -0.001082 -0.019776 31O 1f-1 -0.215256 0.273962 0.020892 -0.078387 0.004823 0.049060 31O 1f+2 -0.088226 0.052378 0.016666 -0.002211 -0.000192 0.027284 31O 1f-2 0.008921 0.025398 0.005404 -0.008083 0.010679 -0.001804 31O 1f+3 0.101911 -0.043645 -0.001075 0.012513 0.008369 -0.038454 31O 1f-3 0.121050 -0.139834 -0.000624 0.052093 0.043413 -0.021285 32O 1s 0.001124 0.001038 0.001958 0.002834 -0.000098 -0.000298 32O 2s 0.003266 0.003384 0.006598 0.009291 -0.000396 -0.000800 32O 3s -0.022903 -0.034109 -0.069009 -0.094553 0.005201 0.005791 32O 4s 0.069170 0.081228 0.171959 0.235697 -0.009729 -0.016554 32O 5s -0.311705 -0.107298 -0.221273 -0.331563 -0.013558 0.060338 32O 1pz 0.001474 -0.000979 -0.007094 -0.005674 -0.008349 0.015678 32O 1px -0.001445 0.005454 0.025860 0.020458 -0.001641 0.007284 32O 1py 0.004624 0.007261 0.025090 0.025788 0.000908 -0.002202 32O 2pz -0.013613 0.000821 0.013405 0.010810 0.027240 -0.062075 32O 2px 0.025598 -0.011017 -0.054785 -0.039400 0.010605 -0.030932 32O 2py -0.028517 -0.018563 -0.066805 -0.069519 -0.005972 0.011023 32O 3pz -0.005236 0.018981 0.046947 0.062141 -0.084168 0.099617 32O 3px -0.024813 -0.061107 -0.148301 -0.189162 -0.023721 0.051801 32O 3py -0.156335 -0.011304 -0.033590 -0.043655 -0.008002 0.007634 32O 1dz2 0.018389 0.008627 0.027433 0.020442 -0.057450 0.060961 32O 1dxz 0.005393 -0.002849 -0.019592 -0.024857 0.103677 -0.098907 32O 1dyz -0.000374 0.001630 0.000490 0.003284 0.087979 -0.085246 32O 1dx2y2 0.012678 0.035332 0.084135 0.089017 0.041790 -0.047470 32O 1dxy -0.009387 -0.010461 -0.026779 -0.026739 0.025786 -0.024896 32O 2dz2 0.002856 -0.001221 0.006473 0.006721 -0.015825 0.011745 32O 2dxz -0.000511 -0.003364 -0.012538 -0.013362 0.028644 -0.023658 32O 2dyz -0.005538 0.001340 0.001918 0.002777 0.022657 -0.033667 32O 2dx2y2 0.007117 0.012026 0.039038 0.039980 0.010410 -0.009823 32O 2dxy 0.010138 -0.005828 -0.018825 -0.017263 0.007606 -0.012457 32O 1f0 0.044348 0.076583 0.292888 0.304370 -0.094381 0.056913 32O 1f+1 -0.047849 -0.064915 -0.280351 -0.281301 0.377392 -0.418518 32O 1f-1 -0.010441 -0.077315 -0.248890 -0.263822 -0.041730 0.061838 32O 1f+2 0.026338 -0.065928 -0.129408 -0.145206 -0.472056 0.481010 32O 1f-2 0.026199 -0.087664 -0.269010 -0.276974 0.179078 -0.174001 32O 1f+3 0.119433 0.045386 0.222851 0.221450 0.261097 -0.259867 32O 1f-3 0.030759 -0.127172 -0.354278 -0.359548 -0.115090 0.129230 33O 1s -0.000320 -0.000061 -0.000159 0.000099 0.000091 0.000636 33O 2s -0.001703 -0.000142 -0.000626 0.000531 0.000457 0.001864 33O 3s 0.028342 -0.002401 0.008514 -0.010728 -0.017807 -0.016226 33O 4s -0.108947 0.011932 -0.011263 0.029282 0.125860 0.035027 33O 5s 0.017665 0.066884 -0.128433 0.127687 -0.176501 -0.063996 33O 1pz 0.003766 0.008415 0.005359 -0.009030 0.002900 0.001368 33O 1px 0.002374 0.005560 0.000446 -0.001625 -0.006447 -0.000531 33O 1py 0.000331 -0.014252 -0.000207 0.006915 0.004489 0.002765 33O 2pz -0.015013 0.011042 -0.033475 0.048090 0.011482 -0.017683 33O 2px 0.040117 -0.018108 0.018345 -0.025816 -0.007380 0.017104 33O 2py -0.031068 0.010678 -0.003660 -0.005153 -0.017179 -0.015890 33O 3pz -0.154569 -0.057079 0.064371 -0.062951 0.137869 0.158777 33O 3px 0.027981 -0.022834 0.010192 0.008440 -0.043842 -0.080298 33O 3py 0.027573 0.045275 0.020583 -0.031564 0.123199 0.136641 33O 1dz2 -0.039827 -0.004668 -0.002042 0.010463 -0.002833 -0.007151 33O 1dxz -0.009135 0.011441 0.013130 -0.009534 0.009366 -0.001294 33O 1dyz 0.019971 0.010031 -0.007079 0.001834 -0.027905 -0.007152 33O 1dx2y2 -0.009626 0.017421 0.005940 -0.002776 0.005992 0.003505 33O 1dxy -0.027906 -0.026185 0.003336 0.006247 -0.003653 0.001624 33O 2dz2 0.012046 0.013952 -0.006385 0.006800 -0.003469 -0.006257 33O 2dxz 0.010368 -0.009192 0.012533 -0.013464 -0.010005 0.000622 33O 2dyz -0.014327 -0.008550 -0.004314 0.008173 -0.013774 -0.010208 33O 2dx2y2 -0.018978 0.000851 -0.002884 0.004815 0.008882 0.003526 33O 2dxy 0.018079 0.012156 0.002692 -0.005602 0.000861 0.003953 33O 1f0 -0.326633 -0.298931 0.014772 0.101260 -0.005060 -0.043689 33O 1f+1 -0.021548 -0.035990 0.003562 0.012515 0.003981 -0.006873 33O 1f-1 0.051812 0.017207 -0.020108 0.007364 -0.046552 -0.020804 33O 1f+2 -0.065920 -0.111806 -0.000856 0.035689 0.008828 -0.006441 33O 1f-2 -0.040122 -0.079766 0.002320 0.019940 0.023115 -0.006957 33O 1f+3 -0.166885 -0.098310 0.024719 0.042216 0.017367 -0.037039 33O 1f-3 0.040050 0.071665 -0.002245 -0.020136 -0.033847 0.001434 34O 1s -0.000166 -0.000141 -0.000015 0.000237 -0.000081 -0.000524 34O 2s -0.001189 -0.000397 -0.000098 0.000700 -0.000156 -0.001539 34O 3s 0.025574 0.001093 0.003195 -0.005071 -0.008463 0.013657 34O 4s -0.101619 0.006956 -0.004294 0.024123 0.085464 -0.032135 34O 5s -0.007344 -0.005113 -0.079159 -0.131694 -0.132181 0.029441 34O 1pz 0.004277 -0.016187 0.004516 0.010702 -0.002871 -0.000322 34O 1px -0.001375 -0.001601 0.001952 0.004625 0.005820 0.000422 34O 1py -0.001610 -0.010452 -0.003953 0.001777 -0.003179 0.002951 34O 2pz 0.016609 0.014389 -0.013674 -0.023133 0.012321 -0.002090 34O 2px -0.041449 -0.000113 -0.029626 -0.035782 0.009239 0.012301 34O 2py 0.032310 0.005881 0.019964 0.011265 0.012688 -0.018577 34O 3pz -0.089036 0.056865 0.037766 0.036073 -0.001700 0.007211 34O 3px -0.133394 0.045115 0.056874 0.074439 0.054565 -0.133804 34O 3py 0.033608 0.003566 -0.054816 -0.075406 -0.120165 0.156384 34O 1dz2 -0.012126 -0.017687 0.010207 0.012209 0.024573 -0.002072 34O 1dxz -0.029974 0.023864 -0.004507 -0.012943 0.000671 0.005966 34O 1dyz 0.023867 0.001697 -0.002432 0.004300 0.008186 -0.004216 34O 1dx2y2 -0.011395 -0.000375 0.001481 -0.001623 0.011065 -0.003851 34O 1dxy -0.018413 0.025529 0.009698 0.002625 0.008064 -0.006845 34O 2dz2 0.009446 -0.000501 0.006438 0.006099 0.000446 -0.001854 34O 2dxz 0.024501 -0.018415 -0.004719 -0.000044 0.003084 0.001673 34O 2dyz -0.000903 0.004601 0.000466 0.002118 0.004467 -0.003394 34O 2dx2y2 -0.013199 -0.005915 -0.006396 -0.004071 0.011525 -0.005466 34O 2dxy 0.016949 -0.009414 0.009100 0.011057 0.006172 -0.009885 34O 1f0 -0.000585 -0.024425 0.005921 0.013030 -0.007040 -0.007359 34O 1f+1 -0.197741 0.177458 0.025533 -0.049405 0.022845 0.032600 34O 1f-1 0.075650 -0.167917 0.001291 0.052287 0.009104 -0.016515 34O 1f+2 -0.048565 0.044101 0.005385 -0.003183 -0.012402 -0.005226 34O 1f-2 0.160787 -0.135990 0.000125 0.062466 0.037811 -0.043565 34O 1f+3 0.142791 -0.152283 -0.021706 0.039487 -0.028716 -0.025365 34O 1f-3 -0.067578 0.087753 -0.000200 -0.032729 0.002049 0.015824 35O 1s 0.000385 -0.000333 0.000026 0.000035 0.000128 -0.000562 35O 2s 0.001826 -0.001149 0.000344 0.000005 0.000237 -0.001118 35O 3s -0.030885 0.011122 -0.011904 0.003868 -0.005853 -0.013574 35O 4s 0.109776 -0.026454 0.072463 -0.031083 0.051845 0.101695 35O 5s 0.076433 0.019226 -0.036244 0.038519 -0.352940 0.430096 35O 1pz 0.000618 -0.010640 -0.002067 0.000544 0.004073 -0.008450 35O 1px -0.000591 -0.004741 -0.003198 -0.002599 0.011991 -0.009846 35O 1py 0.005252 0.017951 -0.001095 -0.006031 0.010175 -0.010194 35O 2pz -0.020519 0.007946 0.013640 0.003686 -0.014599 0.046502 35O 2px 0.035584 0.001653 0.039155 0.000651 -0.056658 0.147760 35O 2py 0.032304 -0.019725 0.015612 -0.002676 -0.048481 0.093995 35O 3pz 0.106754 0.019645 0.000351 -0.034040 0.060594 -0.077232 35O 3px 0.192408 0.030509 -0.015916 0.015521 -0.062452 0.044107 35O 3py 0.048956 -0.023683 0.019582 0.038834 0.070053 -0.099398 35O 1dz2 0.027321 -0.010442 -0.005402 0.012668 0.010779 0.003417 35O 1dxz 0.019283 0.012749 -0.003054 -0.005297 0.000692 0.000737 35O 1dyz -0.001648 0.014871 -0.005551 -0.005531 -0.021912 0.007765 35O 1dx2y2 0.039241 0.017770 0.003708 0.003403 0.000757 -0.000004 35O 1dxy -0.025249 -0.030421 -0.002424 0.010239 -0.009232 0.000898 35O 2dz2 -0.008243 -0.003801 -0.005603 0.001875 0.010532 -0.025595 35O 2dxz -0.016712 -0.016186 0.006962 -0.000103 0.004430 0.009637 35O 2dyz 0.000362 -0.004174 -0.000571 -0.002826 -0.001053 0.005165 35O 2dx2y2 -0.002940 -0.013184 0.006903 0.009864 -0.008331 0.025788 35O 2dxy 0.031983 0.011335 0.004853 -0.009150 -0.013916 0.036769 35O 1f0 0.073314 0.124535 -0.000674 -0.041155 -0.003741 0.020273 35O 1f+1 0.227947 0.177314 -0.021549 -0.043146 -0.024310 0.041970 35O 1f-1 0.094114 0.073284 -0.015906 -0.021069 -0.004375 0.022844 35O 1f+2 0.144201 0.181353 -0.004272 -0.058655 0.014137 -0.007766 35O 1f-2 -0.071725 -0.028171 -0.009725 0.007953 -0.044472 0.008347 35O 1f+3 -0.124226 -0.105091 0.000440 0.035116 -0.004779 -0.024656 35O 1f-3 -0.142326 -0.111200 0.009542 0.031940 -0.014717 -0.025706 642 643 644 645 646 647 5.46600 5.46704 5.47755 5.47908 5.49014 5.49164 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s 0.000081 0.000043 -0.000005 0.000002 0.000059 0.000059 0Rh 2s -0.000664 -0.000310 -0.000068 -0.000110 -0.000542 -0.000438 0Rh 3s 0.000098 0.000073 -0.000069 -0.000054 0.000031 0.000096 0Rh 4s 0.004024 0.001908 0.000343 0.000617 0.003249 0.002686 0Rh 5s -0.010490 -0.005044 -0.000880 -0.001746 -0.008446 -0.007038 0Rh 6s 0.012100 0.005860 0.001112 0.003098 0.009578 0.008226 0Rh 7s -0.028383 -0.006542 0.001633 -0.028517 -0.011055 -0.007641 0Rh 8s -0.011387 -0.011849 -0.005179 0.015210 -0.002197 -0.008911 0Rh 1pz -0.002858 -0.002648 0.047150 -0.047068 -0.001054 -0.004800 0Rh 1px -0.000601 -0.003983 0.024124 -0.004494 0.001387 0.000380 0Rh 1py 0.000432 0.001097 -0.045319 -0.051625 -0.002952 -0.014474 0Rh 2pz 0.011800 0.010869 -0.193869 0.193526 0.004338 0.019882 0Rh 2px 0.002448 0.016398 -0.099189 0.018464 -0.005700 -0.001580 0Rh 2py -0.001789 -0.004503 0.186317 0.212259 0.012140 0.059761 0Rh 3pz -0.036685 -0.032857 0.590681 -0.589485 -0.013258 -0.063270 0Rh 3px -0.006970 -0.050386 0.302127 -0.055985 0.017274 0.005223 0Rh 3py 0.005683 0.013577 -0.567203 -0.646455 -0.037032 -0.186692 0Rh 4pz 0.043677 0.038247 -0.686864 0.685131 0.015506 0.081177 0Rh 4px 0.006450 0.060098 -0.351011 0.063996 -0.019602 -0.007595 0Rh 4py -0.007226 -0.015393 0.658293 0.750929 0.043171 0.230034 0Rh 5pz -0.014577 -0.022019 0.285427 -0.285042 -0.006576 -0.047862 0Rh 5px 0.000172 -0.030107 0.145036 -0.022367 0.006609 0.006937 0Rh 5py 0.003333 0.005985 -0.270995 -0.309976 -0.018009 -0.118407 0Rh 6pz -0.053740 0.184235 -0.246016 0.258624 0.008654 0.065774 0Rh 6px 0.041013 0.070997 -0.109835 0.001059 0.006188 -0.026071 0Rh 6py 0.016547 -0.017440 0.190440 0.221966 0.009037 0.084037 0Rh 1dz2 0.000814 -0.001002 -0.001314 0.000192 -0.000395 0.000159 0Rh 1dxz -0.002936 0.002331 0.001510 -0.002604 -0.000397 -0.000817 0Rh 1dyz -0.000822 -0.000041 0.001862 -0.000700 0.000276 -0.000198 0Rh 1dx2y2 -0.000351 0.000114 0.001802 0.000822 0.000224 -0.000042 0Rh 1dxy -0.000063 -0.000213 -0.000630 -0.001499 0.000240 0.001036 0Rh 2dz2 -0.000229 0.000391 -0.000029 0.000256 0.000015 0.000003 0Rh 2dxz 0.000534 -0.000615 0.000166 -0.000005 0.000095 -0.000161 0Rh 2dyz 0.000277 0.000311 -0.000013 0.000211 -0.000097 0.000084 0Rh 2dx2y2 0.000242 -0.000044 -0.000100 -0.000109 -0.000249 0.000208 0Rh 2dxy 0.000108 0.000194 -0.000369 -0.000324 -0.000155 -0.000768 0Rh 3dz2 -0.002812 0.002951 0.006546 -0.002209 0.001818 -0.000791 0Rh 3dxz 0.011638 -0.008306 -0.008211 0.012762 0.001467 0.004773 0Rh 3dyz 0.002626 -0.001306 -0.009039 0.002368 -0.000882 0.000550 0Rh 3dx2y2 0.000499 -0.000345 -0.008329 -0.003469 0.000088 -0.000816 0Rh 3dxy -0.000222 0.000082 0.004910 0.008955 -0.000425 -0.001349 0Rh 4dz2 0.004322 -0.003900 -0.013916 0.006254 -0.003407 0.001733 0Rh 4dxz -0.021100 0.013695 0.018503 -0.027281 -0.002444 -0.011324 0Rh 4dyz -0.003534 0.004336 0.019336 -0.003779 0.001311 -0.000595 0Rh 4dx2y2 0.000865 0.000537 0.017407 0.006755 -0.001323 0.003171 0Rh 4dxy 0.001312 0.000959 -0.012641 -0.021260 0.000094 -0.001215 0Rh 5dz2 -0.003087 0.001342 0.022753 -0.016692 0.003582 -0.006041 0Rh 5dxz 0.025842 -0.012789 -0.033472 0.045165 0.001310 0.029147 0Rh 5dyz -0.007073 -0.011371 -0.032787 0.000168 0.000542 -0.003742 0Rh 5dx2y2 -0.012377 -0.001216 -0.029024 -0.008990 0.005842 -0.012898 0Rh 5dxy -0.009335 -0.004239 0.028493 0.043411 0.003123 0.019867 0Rh 1f0 0.001337 -0.001106 0.008237 0.006078 0.000459 0.000919 0Rh 1f+1 0.003135 -0.003703 -0.005866 0.007780 0.000375 0.001776 0Rh 1f-1 -0.001362 0.001908 -0.000897 0.020916 0.000862 -0.000958 0Rh 1f+2 -0.002172 -0.000113 0.017124 -0.010215 0.000283 -0.001209 0Rh 1f-2 0.001052 -0.001545 0.012293 0.009462 0.000526 -0.000046 0Rh 1f+3 -0.000341 -0.000205 -0.013790 0.000356 -0.000262 -0.001407 0Rh 1f-3 -0.001636 0.000200 0.007001 0.007468 0.000350 0.003406 1Rh 1s -0.000064 0.000047 -0.000011 0.000003 0.000058 -0.000061 1Rh 2s 0.000539 -0.000340 -0.000016 -0.000101 -0.000536 0.000461 1Rh 3s -0.000066 0.000084 -0.000077 -0.000044 0.000030 -0.000096 1Rh 4s -0.003259 0.002094 0.000028 0.000574 0.003212 -0.002826 1Rh 5s 0.008506 -0.005524 -0.000050 -0.001618 -0.008346 0.007404 1Rh 6s -0.009902 0.006369 0.000129 0.002857 0.009450 -0.008656 1Rh 7s 0.024309 -0.005065 0.003298 -0.027583 -0.011056 0.008352 1Rh 8s 0.008372 -0.011882 -0.006453 0.015852 -0.001650 0.008663 1Rh 1pz -0.002967 0.002625 -0.047103 0.046915 0.000777 -0.005001 1Rh 1px -0.000182 0.004122 -0.024169 0.004483 -0.001430 0.000415 1Rh 1py 0.000649 -0.001193 0.045377 0.051539 0.002565 -0.014549 1Rh 2pz 0.012248 -0.010773 0.193674 -0.192894 -0.003192 0.020709 1Rh 2px 0.000726 -0.016969 0.099374 -0.018421 0.005879 -0.001724 1Rh 2py -0.002682 0.004900 -0.186554 -0.211904 -0.010542 0.060068 1Rh 3pz -0.038051 0.032584 -0.590071 0.587513 0.009663 -0.065794 1Rh 3px -0.001711 0.052105 -0.302680 0.055844 -0.017821 0.005663 1Rh 3py 0.008404 -0.014804 0.567926 0.645345 0.032057 -0.187629 1Rh 4pz 0.045220 -0.037971 0.686124 -0.682710 -0.011023 0.084118 1Rh 4px 0.000350 -0.061949 0.351611 -0.063805 0.020238 -0.008107 1Rh 4py -0.010428 0.016813 -0.659130 -0.749562 -0.037082 0.231126 1Rh 5pz -0.014769 0.021978 -0.285110 0.283832 0.004120 -0.049122 1Rh 5px 0.002469 0.030141 -0.145167 0.022250 -0.006835 0.007119 1Rh 5py 0.004876 -0.006403 0.271285 0.309309 0.014949 -0.118871 1Rh 6pz -0.064104 -0.187500 0.246498 -0.259564 -0.005194 0.069717 1Rh 6px 0.042553 -0.059345 0.109133 -0.001545 -0.006854 -0.024835 1Rh 6py 0.014791 0.018151 -0.188525 -0.222410 -0.007041 0.084882 1Rh 1dz2 -0.000801 -0.000881 -0.001318 0.000288 -0.000379 -0.000140 1Rh 1dxz 0.003022 0.002251 0.001518 -0.002604 -0.000404 0.000847 1Rh 1dyz 0.000754 -0.000169 0.001878 -0.000701 0.000286 0.000219 1Rh 1dx2y2 0.000356 0.000103 0.001743 0.000848 0.000217 0.000047 1Rh 1dxy 0.000153 -0.000121 -0.000628 -0.001508 0.000193 -0.001026 1Rh 2dz2 0.000223 0.000370 -0.000034 0.000240 0.000008 -0.000005 1Rh 2dxz -0.000564 -0.000596 0.000163 -0.000002 0.000109 0.000153 1Rh 2dyz -0.000256 0.000341 -0.000022 0.000186 -0.000100 -0.000086 1Rh 2dx2y2 -0.000235 -0.000029 -0.000097 -0.000093 -0.000250 -0.000199 1Rh 2dxy -0.000123 0.000179 -0.000374 -0.000320 -0.000131 0.000772 1Rh 3dz2 0.002779 0.002463 0.006590 -0.002596 0.001775 0.000710 1Rh 3dxz -0.011911 -0.008011 -0.008244 0.012749 0.001433 -0.004883 1Rh 3dyz -0.002398 -0.000830 -0.009069 0.002496 -0.000919 -0.000645 1Rh 3dx2y2 -0.000558 -0.000365 -0.008060 -0.003672 0.000131 0.000748 1Rh 3dxy -0.000138 -0.000293 0.004924 0.008982 -0.000313 0.001283 1Rh 4dz2 -0.004284 -0.003023 -0.014011 0.006935 -0.003352 -0.001577 1Rh 4dxz 0.021497 0.013180 0.018594 -0.027262 -0.002286 0.011508 1Rh 4dyz 0.003171 0.003534 0.019342 -0.004177 0.001374 0.000804 1Rh 4dx2y2 -0.000690 0.000684 0.016833 0.007260 -0.001429 -0.002980 1Rh 4dxy -0.000653 0.001654 -0.012706 -0.021300 -0.000020 0.001380 1Rh 5dz2 0.003238 0.000336 0.022779 -0.017087 0.003703 0.005814 1Rh 5dxz -0.026121 -0.012293 -0.033914 0.045345 0.000601 -0.029230 1Rh 5dyz 0.007230 -0.011055 -0.032622 0.001419 0.000559 0.003325 1Rh 5dx2y2 0.011998 -0.001698 -0.027805 -0.010179 0.006122 0.012451 1Rh 5dxy 0.008635 -0.005182 0.028801 0.043452 0.002842 -0.020226 1Rh 1f0 0.001321 0.001114 -0.008233 -0.006067 -0.000427 0.000923 1Rh 1f+1 0.003264 0.003524 0.005861 -0.007793 -0.000308 0.001821 1Rh 1f-1 -0.001463 -0.001880 0.000914 -0.020968 -0.000847 -0.000877 1Rh 1f+2 -0.002195 0.000123 -0.017097 0.010260 -0.000340 -0.001278 1Rh 1f-2 0.001092 0.001492 -0.012293 -0.009438 -0.000529 -0.000044 1Rh 1f+3 -0.000337 0.000105 0.013779 -0.000356 0.000246 -0.001381 1Rh 1f-3 -0.001532 -0.000077 -0.007006 -0.007464 -0.000269 0.003421 2C 1s -0.000414 -0.000186 -0.000354 0.001244 0.000321 -0.001633 2C 2s -0.000435 -0.000365 -0.000393 0.000805 0.000540 -0.001897 2C 3s -0.017386 0.002851 -0.004086 0.049122 0.007549 -0.037263 2C 4s 0.118424 0.039482 0.016835 -0.201464 -0.055722 0.243119 2C 5s -0.134314 0.058618 0.002996 0.019440 0.010353 -0.622598 2C 1pz -0.000695 0.001274 0.003544 -0.009167 -0.002728 0.006620 2C 1px 0.001317 0.002791 -0.007312 0.033306 0.000257 0.000350 2C 1py 0.000601 0.001125 -0.000790 0.007207 0.002372 0.003775 2C 2pz 0.060997 0.040134 -0.059533 0.135007 0.005946 0.083606 2C 2px 0.005156 -0.015338 0.051284 -0.240061 -0.001114 0.036395 2C 2py 0.030423 0.024963 0.008636 -0.005658 -0.049879 0.059642 2C 3pz -0.027839 0.016772 0.002091 -0.007563 -0.018928 -0.123705 2C 3px -0.008965 -0.019168 0.010558 -0.046292 -0.016776 -0.031432 2C 3py -0.012093 0.004087 0.002741 -0.024430 0.033853 -0.096427 2C 1dz2 0.004389 0.000438 -0.006365 0.024302 0.029656 -0.003741 2C 1dxz 0.002738 0.001090 0.009364 -0.036389 0.016598 -0.003958 2C 1dyz 0.002905 0.003046 -0.003187 0.013174 -0.020414 0.024738 2C 1dx2y2 0.000010 -0.000960 0.000324 -0.000189 0.024363 -0.017596 2C 1dxy 0.000910 0.001187 0.004981 -0.026891 -0.004169 0.004959 2C 2dz2 0.018551 0.014654 -0.032951 0.147422 0.045345 -0.001199 2C 2dxz -0.000742 -0.001643 0.051936 -0.207272 0.025276 -0.023695 2C 2dyz 0.017777 0.007433 -0.018971 0.051029 -0.030327 0.050531 2C 2dx2y2 -0.003686 -0.013540 0.010190 -0.015203 0.033366 -0.015181 2C 2dxy -0.001959 -0.008209 0.024991 -0.152789 -0.022232 0.020169 2C 1f0 0.006026 0.001438 -0.015251 0.088955 0.055938 -0.019214 2C 1f+1 0.004253 -0.001062 0.013926 -0.082214 0.011850 0.004368 2C 1f-1 0.005856 0.000411 -0.011624 0.026165 0.001192 0.016946 2C 1f+2 -0.002717 -0.002014 0.000726 -0.014353 0.038411 -0.036330 2C 1f-2 0.003581 -0.002833 0.041294 -0.156437 0.008032 0.003734 2C 1f+3 -0.001827 0.001605 0.011244 -0.013251 0.003620 -0.005884 2C 1f-3 0.000335 0.003258 -0.011774 0.058171 -0.017688 0.015336 3C 1s -0.000310 0.000321 -0.001125 -0.000343 0.000236 0.001037 3C 2s -0.000389 0.000620 -0.000905 -0.000386 0.000471 0.000983 3C 3s -0.006125 -0.006112 -0.043200 -0.010872 0.005207 0.033374 3C 4s 0.060227 -0.016596 0.186653 0.066353 -0.047530 -0.199010 3C 5s -0.084910 -0.090758 -0.090220 0.009613 -0.009018 0.308565 3C 1pz 0.000769 -0.001830 0.009848 0.002445 0.003077 -0.003738 3C 1px -0.000414 0.001156 -0.033727 -0.007833 -0.000760 -0.001583 3C 1py -0.001166 0.003108 -0.005899 -0.001856 0.001841 0.001513 3C 2pz 0.018878 -0.007566 -0.097837 -0.002074 -0.055669 -0.028342 3C 2px 0.023729 -0.023218 0.248709 0.074491 -0.004943 -0.036267 3C 2py -0.039222 0.006971 0.074475 0.009910 -0.003362 0.114775 3C 3pz -0.006197 -0.006104 -0.015623 -0.002073 0.041507 0.001917 3C 3px -0.011465 -0.004523 0.037922 0.009237 0.007031 0.017803 3C 3py 0.021608 0.013844 0.001936 -0.003793 0.029348 -0.080038 3C 1dz2 0.000234 0.000263 -0.011406 -0.001865 -0.032199 0.040741 3C 1dxz 0.002754 -0.001235 0.024143 0.005204 -0.019634 0.019309 3C 1dyz -0.004368 0.001332 0.021383 0.003902 0.026475 -0.018522 3C 1dx2y2 -0.000952 0.001390 0.022836 0.003969 -0.027097 0.046053 3C 1dxy -0.002276 0.001723 -0.032049 -0.008425 -0.003386 0.013867 3C 2dz2 -0.001356 0.002888 -0.068209 -0.014343 -0.034094 0.040768 3C 2dxz 0.008688 -0.006845 0.109304 0.019415 -0.027920 0.028905 3C 2dyz -0.013898 -0.008896 0.115063 0.025917 0.048703 -0.017992 3C 2dx2y2 -0.002785 -0.000602 0.141221 0.022351 -0.041400 0.083903 3C 2dxy -0.011343 0.014618 -0.191697 -0.047815 -0.015620 0.035046 3C 1f0 -0.000009 0.000258 0.011261 -0.003328 -0.014729 0.025472 3C 1f+1 0.002279 -0.000472 -0.038684 -0.004448 -0.024771 0.025662 3C 1f-1 -0.003508 -0.004520 0.063064 0.018270 0.068241 -0.084124 3C 1f+2 -0.001278 -0.004349 0.050501 0.014892 0.001863 0.015969 3C 1f-2 -0.005023 0.005556 -0.099071 -0.027453 0.021416 -0.014559 3C 1f+3 0.004317 -0.002965 0.090305 0.013936 0.007157 -0.017562 3C 1f-3 -0.000342 -0.002754 0.125406 0.027998 -0.023152 0.040494 4C 1s 0.000610 -0.000752 0.000062 -0.000475 0.000060 0.002148 4C 2s 0.001035 -0.000897 0.000311 -0.001179 0.000295 0.003532 4C 3s -0.013220 -0.055582 -0.020874 0.010738 -0.017737 0.010948 4C 4s 0.046218 0.297112 0.103050 -0.044388 0.069239 -0.189919 4C 5s 0.082504 0.139266 0.023344 -0.013689 0.005957 0.392504 4C 1pz -0.012143 -0.006228 -0.008121 0.035548 -0.000305 -0.020054 4C 1px 0.008802 0.001921 0.026983 -0.109694 -0.004897 -0.003870 4C 1py -0.004306 -0.002765 0.004834 -0.019941 0.005524 -0.016158 4C 2pz 0.159563 0.142342 0.027815 -0.121857 -0.081737 0.166356 4C 2px -0.191009 -0.030978 -0.093061 0.437599 -0.022130 0.055087 4C 2py 0.033952 0.069072 -0.017940 0.081477 0.090437 0.049089 4C 3pz -0.056755 0.088915 0.046574 -0.184361 0.036760 -0.321778 4C 3px -0.040128 0.059383 -0.081217 0.292950 0.037921 -0.044264 4C 3py -0.054799 0.071418 0.002048 0.002628 -0.054634 -0.185172 4C 1dz2 0.001116 0.000599 -0.008036 0.009329 -0.054655 0.009537 4C 1dxz -0.010518 -0.003857 0.012660 -0.006315 -0.023804 0.000988 4C 1dyz 0.001412 0.002707 0.005355 0.008738 0.030592 -0.027761 4C 1dx2y2 -0.000805 0.007133 0.013789 0.006443 -0.035750 0.024329 4C 1dxy -0.006486 0.006024 -0.014601 -0.011828 -0.005851 0.001640 4C 2dz2 0.015731 -0.018642 -0.038675 0.161206 0.038445 -0.020186 4C 2dxz -0.088834 -0.085191 0.061077 -0.273484 0.000413 0.001236 4C 2dyz -0.027298 -0.002161 0.009085 -0.001160 -0.004974 -0.027892 4C 2dx2y2 0.022747 0.078007 0.016581 -0.027451 0.021345 -0.003110 4C 2dxy -0.046945 -0.002472 0.060766 -0.212137 0.001640 -0.010662 4C 1f0 -0.008478 -0.002707 0.020394 -0.046190 -0.129557 0.071538 4C 1f+1 -0.004525 -0.013556 -0.025702 0.086299 -0.065410 0.050491 4C 1f-1 0.009712 0.003897 0.020389 -0.103304 -0.023498 0.039895 4C 1f+2 -0.002375 0.011521 0.019136 -0.079786 -0.100498 0.025613 4C 1f-2 -0.004435 0.005313 -0.043121 0.201442 -0.018244 0.022142 4C 1f+3 0.007426 0.002586 0.017365 -0.049291 0.011927 -0.003558 4C 1f-3 0.009909 -0.017512 0.028194 -0.132175 0.042804 -0.009517 5C 1s 0.000618 0.000618 0.000277 -0.000079 0.000039 -0.001176 5C 2s 0.001120 0.000675 0.000470 -0.000186 0.000222 -0.001818 5C 3s -0.022138 0.050321 0.020630 -0.001592 -0.013931 -0.022138 5C 4s 0.084171 -0.275647 -0.088404 0.021499 0.050225 0.189364 5C 5s 0.069015 -0.102673 -0.006298 0.023731 0.008835 -0.202579 5C 1pz -0.001571 0.001233 -0.035115 -0.009577 0.006633 0.001769 5C 1px -0.010259 0.003231 0.111173 0.025193 0.004794 0.002451 5C 1py 0.005967 -0.002690 0.019758 0.006396 0.002016 -0.015980 5C 2pz -0.012727 -0.033636 0.115823 0.048287 0.101484 -0.204276 5C 2px 0.192501 -0.091325 -0.416800 -0.096615 0.006562 -0.067137 5C 2py -0.051717 0.074568 -0.066284 -0.051437 0.096783 0.023084 5C 3pz -0.038011 -0.076826 0.098581 0.044149 -0.069254 0.118596 5C 3px 0.012767 -0.011777 -0.296556 -0.054066 -0.019861 0.048459 5C 3py 0.049343 0.103146 -0.050003 -0.041889 -0.044772 -0.084391 5C 1dz2 -0.004408 0.006131 -0.009022 0.006909 0.062386 -0.068110 5C 1dxz 0.000130 0.002353 0.011444 -0.016859 0.026547 -0.023624 5C 1dyz 0.003930 0.003792 0.013628 0.002542 -0.032427 0.025013 5C 1dx2y2 0.004884 -0.005437 0.009389 -0.002645 0.044057 -0.058062 5C 1dxy -0.005802 -0.000512 -0.004536 -0.017161 0.000620 -0.007987 5C 2dz2 -0.027795 0.043996 -0.087028 -0.026467 -0.039096 0.004246 5C 2dxz 0.011699 0.026186 0.144514 0.020038 -0.005599 0.012102 5C 2dyz 0.035023 -0.002412 0.134902 0.030938 0.008736 -0.029835 5C 2dx2y2 0.064674 -0.084369 0.158456 0.053143 -0.012949 -0.015564 5C 2dxy -0.036361 0.023953 -0.281853 -0.048530 -0.017119 -0.020513 5C 1f0 0.000346 0.012688 -0.084855 -0.030183 0.016319 -0.009085 5C 1f+1 -0.009280 0.004643 0.108917 0.027737 0.067863 -0.087553 5C 1f-1 0.009456 0.002726 -0.094372 -0.015924 -0.170207 0.216858 5C 1f+2 -0.007464 0.004307 -0.048028 -0.010308 0.008914 0.009817 5C 1f-2 -0.006745 -0.009728 0.204382 0.048237 -0.056704 0.106270 5C 1f+3 -0.001484 0.008403 0.003517 -0.004679 -0.037089 0.020252 5C 1f-3 -0.003866 -0.007690 -0.114908 -0.027454 0.078939 -0.082315 6C 1s -0.000608 0.000661 0.000269 -0.000075 0.000058 0.001172 6C 2s -0.001107 0.000750 0.000454 -0.000179 0.000249 0.001802 6C 3s 0.022054 0.049041 0.020991 -0.001768 -0.013278 0.023209 6C 4s -0.083622 -0.270997 -0.089178 0.022382 0.045927 -0.193402 6C 5s -0.065867 -0.098135 -0.005434 0.024255 0.011015 0.202330 6C 1pz -0.001338 -0.001236 0.035131 0.009621 -0.006642 0.002010 6C 1px -0.010373 -0.002123 -0.111087 -0.025267 -0.004819 0.002393 6C 1py 0.005669 0.002368 -0.019731 -0.006439 -0.002296 -0.016024 6C 2pz -0.015766 0.035160 -0.115710 -0.049166 -0.105991 -0.202104 6C 2px 0.194370 0.074787 0.415774 0.097366 -0.007497 -0.066657 6C 2py -0.048252 -0.071935 0.066744 0.051790 -0.097316 0.026243 6C 3pz -0.035579 0.080388 -0.098816 -0.044169 0.071392 0.115926 6C 3px 0.013637 0.010346 0.295801 0.054334 0.020716 0.048324 6C 3py 0.046465 -0.108079 0.050366 0.042132 0.043925 -0.084991 6C 1dz2 0.004617 0.005893 -0.009071 0.007031 0.064086 0.066502 6C 1dxz -0.000041 0.002608 0.011332 -0.016757 0.027148 0.022994 6C 1dyz -0.004117 0.003927 0.013764 0.002495 -0.033147 -0.024202 6C 1dx2y2 -0.005051 -0.005148 0.009289 -0.002549 0.045367 0.056881 6C 1dxy 0.005699 -0.000871 -0.004676 -0.017065 0.000649 0.007894 6C 2dz2 0.027541 0.041868 -0.087024 -0.026853 -0.039100 -0.003133 6C 2dxz -0.012172 0.027631 0.144211 0.019997 -0.005687 -0.011720 6C 2dyz -0.034356 0.000767 0.135026 0.031020 0.009365 0.030344 6C 2dx2y2 -0.063930 -0.079342 0.158751 0.053355 -0.012923 0.016085 6C 2dxy 0.037903 0.020747 -0.281593 -0.048241 -0.016672 0.020618 6C 1f0 0.000644 -0.012890 0.085151 0.030143 -0.016588 -0.008397 6C 1f+1 -0.009522 -0.004200 -0.108655 -0.027911 -0.070030 -0.086016 6C 1f-1 0.009960 -0.002862 0.093990 0.016532 0.175575 0.212587 6C 1f+2 -0.007448 -0.004093 0.047947 0.010382 -0.008833 0.010159 6C 1f-2 -0.007370 0.010290 -0.204251 -0.048239 0.059207 0.104658 6C 1f+3 -0.001558 -0.008448 -0.003461 0.004625 0.037753 0.019254 6C 1f-3 -0.004085 0.007364 0.115135 0.027219 -0.081078 -0.080032 7C 1s -0.000638 -0.000760 0.000085 -0.000509 -0.000005 -0.002145 7C 2s -0.001069 -0.000911 0.000350 -0.001233 0.000184 -0.003533 7C 3s 0.010624 -0.055638 -0.020560 0.009865 -0.017873 -0.010508 7C 4s -0.032004 0.297992 0.100544 -0.039113 0.074595 0.188332 7C 5s -0.074108 0.139442 0.024039 -0.014924 -0.005161 -0.392851 7C 1pz -0.011573 0.006178 0.008204 -0.035703 -0.000179 -0.019925 7C 1px 0.008660 -0.001853 -0.027023 0.109562 0.004740 -0.004272 7C 1py -0.004069 0.002825 -0.004783 0.019755 -0.005905 -0.016081 7C 2pz 0.149792 -0.143341 -0.027995 0.123577 0.085804 0.164347 7C 2px -0.189128 0.034417 0.093574 -0.438477 0.023999 0.055647 7C 2py 0.029473 -0.069431 0.018276 -0.080649 -0.088067 0.051883 7C 3pz -0.057248 -0.089294 -0.044808 0.183515 -0.044308 -0.320884 7C 3px -0.042465 -0.058941 0.081489 -0.292778 -0.038233 -0.041043 7C 3py -0.056333 -0.072112 -0.000971 -0.002787 0.049995 -0.186578 7C 1dz2 -0.000950 0.000661 -0.008048 0.009608 -0.054625 -0.008508 7C 1dxz 0.010481 -0.004089 0.012705 -0.006180 -0.023645 -0.000464 7C 1dyz -0.001065 0.002933 0.005119 0.009192 0.031032 0.027045 7C 1dx2y2 0.001028 0.007104 0.013872 0.006382 -0.036211 -0.023617 7C 1dxy 0.006705 0.005667 -0.014627 -0.011807 -0.005980 -0.001600 7C 2dz2 -0.017110 -0.018160 -0.038335 0.159784 0.039072 0.018959 7C 2dxz 0.083624 -0.086498 0.060982 -0.271556 0.000470 -0.000286 7C 2dyz 0.026162 -0.002265 0.008917 -0.000247 -0.004108 0.028127 7C 2dx2y2 -0.018898 0.078232 0.015782 -0.026299 0.021173 0.002394 7C 2dxy 0.046626 -0.003299 0.060691 -0.211574 0.001863 0.011341 7C 1f0 -0.008407 0.003268 -0.020603 0.045480 0.130498 0.068396 7C 1f+1 -0.003754 0.013774 0.025209 -0.085061 0.066210 0.049067 7C 1f-1 0.009482 -0.003841 -0.020692 0.104039 0.025806 0.039632 7C 1f+2 -0.002959 -0.011451 -0.019181 0.079540 0.099995 0.023062 7C 1f-2 -0.004780 -0.005332 0.043252 -0.201492 0.019146 0.022363 7C 1f+3 0.007195 -0.003165 -0.017171 0.048604 -0.011717 -0.003246 7C 1f-3 0.010899 0.017165 -0.028152 0.131931 -0.043020 -0.008983 8C 1s 0.000308 0.000306 -0.001152 -0.000351 0.000217 -0.001050 8C 2s 0.000395 0.000605 -0.000928 -0.000394 0.000453 -0.001003 8C 3s 0.005293 -0.006620 -0.044260 -0.011125 0.004524 -0.033958 8C 4s -0.055688 -0.012303 0.191651 0.067642 -0.043645 0.202693 8C 5s 0.078597 -0.097258 -0.091960 0.009204 -0.013488 -0.308111 8C 1pz 0.000759 0.001763 -0.009833 -0.002472 -0.003150 -0.003652 8C 1px -0.000319 -0.001001 0.033716 0.007845 0.000733 -0.001544 8C 1py -0.001262 -0.003098 0.005889 0.001849 -0.001846 0.001525 8C 2pz 0.018382 0.006683 0.097921 0.002093 0.055259 -0.030190 8C 2px 0.022868 0.020869 -0.248579 -0.074301 0.004400 -0.037212 8C 2py -0.037189 -0.003855 -0.074878 -0.009864 0.005347 0.115155 8C 3pz -0.006245 0.006403 0.015579 0.001859 -0.041796 0.003162 8C 3px -0.011524 0.005322 -0.037843 -0.009444 -0.006863 0.017984 8C 3py 0.020396 -0.015636 -0.001743 0.003607 -0.030581 -0.078909 8C 1dz2 -0.000306 0.000263 -0.011207 -0.001956 -0.033190 -0.039911 8C 1dxz -0.002768 -0.001189 0.024091 0.005157 -0.020278 -0.018924 8C 1dyz 0.004399 0.001087 0.021461 0.004016 0.027012 0.017785 8C 1dx2y2 0.000966 0.001228 0.022862 0.003882 -0.028123 -0.045277 8C 1dxy 0.002287 0.001721 -0.032035 -0.008464 -0.003718 -0.013950 8C 2dz2 0.001041 0.002541 -0.067819 -0.014488 -0.035074 -0.040180 8C 2dxz -0.008352 -0.006413 0.108968 0.019317 -0.029199 -0.028808 8C 2dyz 0.013493 -0.010006 0.115398 0.026291 0.049320 0.016472 8C 2dx2y2 0.002646 -0.000788 0.141375 0.022359 -0.043162 -0.082582 8C 2dxy 0.010569 0.013617 -0.191308 -0.048133 -0.016541 -0.035234 8C 1f0 -0.000078 -0.000341 -0.011050 0.003330 0.015315 0.025081 8C 1f+1 0.002488 0.000449 0.038952 0.004722 0.025234 0.024856 8C 1f-1 -0.003683 0.004633 -0.063265 -0.018552 -0.070454 -0.082602 8C 1f+2 -0.001126 0.004516 -0.049985 -0.014750 -0.001660 0.015823 8C 1f-2 -0.004888 -0.005425 0.099843 0.027539 -0.021741 -0.013547 8C 1f+3 0.004044 0.002666 -0.089643 -0.014005 -0.007412 -0.017376 8C 1f-3 -0.000485 0.002990 -0.125518 -0.027990 0.024210 0.039931 9C 1s 0.000405 -0.000187 -0.000367 0.001294 0.000356 0.001615 9C 2s 0.000421 -0.000368 -0.000403 0.000853 0.000565 0.001864 9C 3s 0.017065 0.002815 -0.004548 0.050713 0.008764 0.037134 9C 4s -0.113696 0.039926 0.018852 -0.209463 -0.062297 -0.241687 9C 5s 0.132333 0.059235 -0.000517 0.024188 0.026709 0.622591 9C 1pz -0.000683 -0.001262 -0.003548 0.009135 0.002839 0.006508 9C 1px 0.001174 -0.002767 0.007288 -0.033192 -0.000248 0.000427 9C 1py 0.000579 -0.001135 0.000770 -0.007120 -0.002306 0.003766 9C 2pz 0.057225 -0.040104 0.059447 -0.133063 -0.003418 0.083738 9C 2px 0.005654 0.015307 -0.050727 0.239424 0.002184 0.035763 9C 2py 0.028428 -0.025182 -0.008651 0.005061 0.051644 0.059751 9C 3pz -0.027770 -0.017084 -0.001492 0.006779 0.015753 -0.123544 9C 3px -0.007672 0.018961 -0.010585 0.046545 0.015652 -0.031872 9C 3py -0.011966 -0.003869 -0.002341 0.024555 -0.036043 -0.096488 9C 1dz2 -0.004371 0.000563 -0.006374 0.024068 0.029608 0.003149 9C 1dxz -0.002664 0.001033 0.009411 -0.036433 0.016538 0.003717 9C 1dyz -0.002771 0.002991 -0.003104 0.013018 -0.020629 -0.024155 9C 1dx2y2 -0.000050 -0.000867 0.000289 -0.000081 0.024880 0.017234 9C 1dxy -0.000852 0.001057 0.004973 -0.026743 -0.004163 -0.004692 9C 2dz2 -0.017335 0.014792 -0.033003 0.146727 0.044932 -0.000384 9C 2dxz 0.000752 -0.001526 0.052053 -0.206642 0.025591 0.023731 9C 2dyz -0.016861 0.007452 -0.018933 0.051356 -0.030942 -0.049688 9C 2dx2y2 0.002820 -0.013254 0.010422 -0.014714 0.034550 0.015118 9C 2dxy 0.001649 -0.008512 0.025160 -0.152813 -0.022320 -0.019084 9C 1f0 0.005920 -0.001780 0.015053 -0.087828 -0.056240 -0.017988 9C 1f+1 0.004352 0.001173 -0.013694 0.081251 -0.011586 0.004386 9C 1f-1 0.005754 -0.000372 0.011607 -0.026238 -0.001036 0.016837 9C 1f+2 -0.002699 0.001957 -0.000176 0.012391 -0.038928 -0.035632 9C 1f-2 0.003704 0.002843 -0.041480 0.157208 -0.007987 0.003349 9C 1f+3 -0.001859 -0.001590 -0.011546 0.014455 -0.003910 -0.005888 9C 1f-3 0.000109 -0.003305 0.011914 -0.059176 0.017778 0.014847 10H 1s -0.001026 0.001129 0.003824 -0.022125 0.002383 -0.017219 10H 2s -0.008481 0.017127 -0.016191 0.065167 0.013549 -0.023242 10H 3s 0.018547 0.005130 0.011527 -0.051212 0.000747 0.050038 10H 1pz -0.001864 0.003706 -0.005252 0.022925 0.002660 -0.006006 10H 1px 0.003371 -0.002150 0.002084 -0.002980 -0.004098 0.012857 10H 1py -0.000689 0.002747 -0.001724 0.019404 0.003903 -0.004297 11H 1s -0.002571 -0.000189 -0.013291 0.040884 -0.018814 0.008100 11H 2s -0.000962 -0.001446 -0.031466 0.059474 -0.010824 0.026723 11H 3s 0.002915 -0.007768 0.003426 -0.013215 -0.020294 0.043046 11H 1pz -0.003012 0.000275 -0.008033 0.020114 -0.003163 0.000168 11H 1px -0.000958 -0.000105 -0.008296 0.021876 -0.008106 0.007019 11H 1py -0.000540 -0.001313 0.009519 -0.019622 0.009763 -0.006220 12H 1s -0.001952 0.000723 -0.006977 0.055731 0.017014 -0.015718 12H 2s -0.001484 0.002460 0.001921 0.060339 0.021663 -0.012895 12H 3s 0.009619 -0.011269 -0.004751 -0.007561 0.011641 0.039590 12H 1pz -0.001587 -0.002312 0.000067 -0.020123 -0.007761 0.003076 12H 1px -0.000544 -0.000483 -0.002759 0.022505 0.005310 -0.002287 12H 1py -0.002270 0.000990 -0.001692 0.030201 0.012147 -0.013880 13H 1s -0.003116 0.000677 0.023356 0.003131 0.004210 0.003522 13H 2s 0.004634 -0.005066 -0.059392 -0.015120 0.012331 -0.017276 13H 3s 0.003146 0.005932 0.051914 0.008825 0.008397 -0.029509 13H 1pz -0.000066 -0.000548 -0.019982 -0.003779 0.005458 -0.005031 13H 1px -0.000198 -0.000055 -0.006983 0.000834 -0.003211 0.000060 13H 1py 0.000085 -0.000088 0.016746 0.004250 -0.000440 0.000707 14H 1s -0.001468 -0.000570 -0.052942 -0.006700 0.013022 -0.013441 14H 2s 0.000951 -0.003584 -0.042493 0.006201 0.025479 -0.043888 14H 3s 0.006897 0.013568 -0.000917 -0.006160 0.014220 -0.034213 14H 1pz -0.000590 -0.001056 -0.006283 0.000838 0.007463 -0.008545 14H 1px -0.000617 -0.000564 -0.032634 -0.002091 0.011522 -0.015662 14H 1py -0.000610 -0.000696 -0.015564 0.000728 0.004716 -0.005686 15H 1s 0.001837 0.001693 -0.028426 -0.009720 -0.024367 0.035469 15H 2s 0.007229 0.007829 -0.039992 -0.019848 -0.013812 0.029985 15H 3s 0.000047 0.009183 0.018681 0.001307 -0.023264 -0.009406 15H 1pz -0.002832 -0.001029 0.016959 0.007107 0.014118 -0.018514 15H 1px 0.000085 -0.000171 0.000503 0.000883 -0.001127 0.003928 15H 1py -0.001286 -0.001643 0.019280 0.007433 0.007396 -0.018407 16H 1s 0.087720 -0.085503 -0.007461 0.006773 -0.001547 0.003385 16H 2s 0.253074 -0.282890 -0.017342 -0.024800 -0.003401 -0.048339 16H 3s -0.022216 0.027630 -0.000738 0.002857 0.000692 0.008033 16H 1pz 0.054478 -0.055470 -0.009947 -0.001583 -0.000598 -0.007818 16H 1px -0.128517 0.118609 0.022877 -0.016018 0.001358 -0.012360 16H 1py 0.218496 -0.234531 -0.006431 -0.001281 -0.004176 -0.010475 17H 1s -0.085866 0.088416 0.007979 -0.001517 0.000741 0.005266 17H 2s -0.269409 0.284144 0.008654 -0.028984 0.006314 -0.017834 17H 3s 0.020029 -0.025608 0.000781 -0.001232 -0.000894 0.000474 17H 1pz -0.068370 0.066901 0.011447 0.000398 0.000627 0.006645 17H 1px 0.118877 -0.110246 -0.025698 0.020298 -0.001497 0.004439 17H 1py -0.215594 0.233033 0.003744 0.001324 0.002905 0.010165 18H 1s 0.089560 0.085507 0.007454 -0.001571 0.000553 -0.005265 18H 2s 0.278550 0.272331 0.010012 -0.030314 0.006277 0.016733 18H 3s -0.020810 -0.024532 0.000846 -0.001257 -0.000951 -0.000064 18H 1pz -0.064890 -0.058270 -0.010904 -0.000267 -0.000400 0.006236 18H 1px 0.123459 0.105921 0.026184 -0.021455 0.001646 0.004738 18H 1py -0.225785 -0.226376 -0.003044 -0.001540 -0.002261 0.011027 19H 1s -0.090841 -0.082188 -0.007559 0.007069 -0.001553 -0.003283 19H 2s -0.264902 -0.274549 -0.014452 -0.024843 -0.001820 0.049008 19H 3s 0.024009 0.027551 -0.000705 0.002806 0.000349 -0.008263 19H 1pz 0.051167 0.048263 0.008762 0.001488 0.000296 -0.007542 19H 1px -0.134638 -0.116167 -0.021742 0.016385 -0.001627 -0.012596 19H 1py 0.227205 0.226102 0.006362 0.001240 0.003638 -0.011528 20H 1s -0.001910 0.001889 -0.029194 -0.010025 -0.025202 -0.034849 20H 2s -0.007210 0.008608 -0.041019 -0.020312 -0.014919 -0.030041 20H 3s 0.000205 0.008856 0.018989 0.001154 -0.023075 0.010338 20H 1pz -0.002812 0.001327 -0.017488 -0.007325 -0.014661 -0.018281 20H 1px 0.000155 0.000113 -0.000108 -0.000722 0.001362 0.004070 20H 1py -0.001344 0.001753 -0.019625 -0.007587 -0.007858 -0.018277 21H 1s 0.001273 -0.000539 -0.053139 -0.006801 0.013550 0.013298 21H 2s -0.001313 -0.003425 -0.043599 0.005888 0.026474 0.043242 21H 3s -0.005623 0.014300 -0.000360 -0.005774 0.014968 0.033802 21H 1pz -0.000535 0.001058 0.006951 -0.000777 -0.007756 -0.008417 21H 1px -0.000408 0.000520 0.032890 0.002221 -0.011909 -0.015369 21H 1py -0.000530 0.000806 0.015573 -0.000659 -0.004954 -0.005724 22H 1s 0.003171 0.000348 0.022896 0.003156 0.004059 -0.003819 22H 2s -0.005038 -0.005077 -0.060731 -0.015198 0.012433 0.016146 22H 3s -0.002316 0.006125 0.052595 0.008883 0.008747 0.029375 22H 1pz 0.000098 0.000673 0.020289 0.003793 -0.005494 -0.004677 22H 1px -0.000178 0.000045 0.006485 -0.000816 0.003131 -0.000229 22H 1py -0.000091 -0.000013 -0.017140 -0.004382 0.000432 0.000570 23H 1s 0.001928 0.000897 -0.007098 0.055876 0.017583 0.015157 23H 2s 0.001583 0.002564 0.001630 0.062374 0.021492 0.011770 23H 3s -0.009712 -0.011444 -0.004269 -0.009307 0.010717 -0.039620 23H 1pz -0.001449 0.002406 -0.000106 0.020221 0.007939 0.002817 23H 1px -0.000476 0.000460 0.002756 -0.021999 -0.005169 -0.001909 23H 1py -0.002292 -0.001103 0.001891 -0.031350 -0.012460 -0.013446 24H 1s 0.002610 -0.000295 -0.013660 0.041872 -0.018662 -0.007521 24H 2s 0.000906 -0.001649 -0.031847 0.060024 -0.011704 -0.026612 24H 3s -0.003060 -0.007675 0.003754 -0.013493 -0.021129 -0.042810 24H 1pz -0.002989 -0.000208 0.008056 -0.020105 0.003107 0.000067 24H 1px -0.000957 0.000182 0.008735 -0.022943 0.008352 0.006939 24H 1py -0.000434 0.001219 -0.009547 0.019511 -0.009758 -0.005845 25H 1s 0.001154 0.001074 0.003790 -0.021566 0.002717 0.017231 25H 2s 0.009269 0.016855 -0.016410 0.066195 0.013466 0.022447 25H 3s -0.017746 0.005128 0.011832 -0.051621 -0.000972 -0.050108 25H 1pz -0.002027 -0.003639 0.005436 -0.023398 -0.002670 -0.005901 25H 1px 0.003499 0.002055 -0.002085 0.003511 0.004257 0.012676 25H 1py -0.000744 -0.002670 0.001707 -0.019246 -0.003866 -0.003922 26O 1s 0.000220 -0.000284 -0.000500 0.001709 0.000093 -0.001100 26O 2s 0.000969 -0.001157 -0.001514 0.004807 0.000237 -0.003722 26O 3s -0.016895 0.019975 0.011692 -0.024343 0.000313 0.031512 26O 4s 0.061058 -0.065670 -0.031942 0.057367 -0.005653 -0.057538 26O 5s 0.093137 -0.110907 0.010993 -0.192349 -0.022333 0.111618 26O 1pz -0.001431 -0.002469 0.003142 0.003877 -0.012166 0.009055 26O 1px 0.003767 -0.000277 -0.010538 0.050171 -0.005330 -0.002664 26O 1py 0.002708 -0.000964 -0.013886 0.018076 0.019532 -0.008997 26O 2pz 0.001989 0.015392 -0.003156 0.001625 0.030353 -0.031009 26O 2px -0.047223 0.035562 0.026682 -0.067172 0.020600 -0.010179 26O 2py -0.021072 0.020116 0.026706 -0.020263 -0.041133 0.010739 26O 3pz 0.012891 0.024773 -0.030101 0.156593 -0.007775 0.066899 26O 3px -0.037660 0.065510 -0.023257 0.167814 0.001821 0.010272 26O 3py -0.010810 0.065092 -0.051290 0.159024 0.032179 0.026797 26O 1dz2 0.000489 -0.002119 0.001187 -0.069711 0.033626 -0.020838 26O 1dxz -0.002130 0.002185 0.000812 0.008297 -0.022534 0.015372 26O 1dyz -0.006460 -0.002358 0.028163 -0.071484 -0.037573 0.007892 26O 1dx2y2 0.002963 -0.003389 -0.006963 0.031798 -0.020859 0.007501 26O 1dxy 0.006186 -0.006389 -0.016848 0.003468 0.058569 -0.032670 26O 2dz2 -0.009004 0.008478 0.006020 -0.003861 0.003406 -0.005462 26O 2dxz -0.000556 -0.005783 -0.000484 -0.003464 -0.002902 0.003338 26O 2dyz -0.001274 -0.002767 0.006591 -0.036080 -0.003717 -0.000641 26O 2dx2y2 0.011623 -0.010015 0.001297 -0.017638 -0.002752 0.004847 26O 2dxy 0.009764 -0.013604 0.003824 -0.027660 -0.000927 0.001669 26O 1f0 0.001946 0.004146 -0.053535 0.055575 -0.026135 0.007103 26O 1f+1 -0.003969 0.010225 -0.058994 0.141561 -0.177196 0.123786 26O 1f-1 0.000537 -0.001544 -0.044856 0.140463 -0.020933 0.002238 26O 1f+2 -0.007263 -0.016737 0.021349 -0.314966 -0.024727 -0.011787 26O 1f-2 0.020343 0.008010 -0.056311 0.196607 0.171616 -0.054159 26O 1f+3 -0.005748 -0.005030 0.045506 -0.071737 -0.073897 0.034480 26O 1f-3 0.006437 -0.007443 0.026135 -0.072172 0.195327 -0.088612 27O 1s -0.000464 0.000396 -0.002128 -0.000596 -0.000201 0.001029 27O 2s -0.001936 0.001621 -0.006271 -0.001793 -0.000668 0.003309 27O 3s 0.028615 -0.025573 0.036288 0.012674 0.007059 -0.025933 27O 4s -0.093233 0.084302 -0.071797 -0.030088 -0.021436 0.038663 27O 5s -0.175114 0.251293 0.264635 0.036213 0.013141 -0.054947 27O 1pz -0.001346 0.000788 0.005291 -0.006741 0.021926 -0.029783 27O 1px -0.005268 0.009896 -0.055681 -0.015551 0.000787 0.001645 27O 1py -0.001910 -0.000878 0.008869 -0.004058 0.015083 -0.017638 27O 2pz -0.000088 0.000323 -0.010607 0.010381 -0.052256 0.073522 27O 2px 0.065072 -0.081220 0.061341 0.023575 0.001014 0.012619 27O 2py -0.006752 0.016503 0.002804 0.009097 -0.033678 0.037700 27O 3pz -0.009501 0.013686 -0.062341 -0.030709 0.029401 -0.053718 27O 3px 0.087722 -0.083862 -0.216606 -0.028065 0.001432 0.000884 27O 3py -0.017998 -0.015733 0.166809 0.014956 0.016982 -0.008355 27O 1dz2 0.005354 -0.002839 -0.001280 0.018291 -0.054768 0.063253 27O 1dxz -0.001197 -0.002477 0.011567 -0.004818 0.059872 -0.079514 27O 1dyz -0.002337 0.003177 -0.077230 -0.023572 0.002625 -0.015310 27O 1dx2y2 -0.001590 0.004967 -0.072254 -0.011197 -0.008081 0.009111 27O 1dxy -0.000478 0.001434 -0.012299 -0.014494 0.048727 -0.067574 27O 2dz2 0.012333 -0.012500 -0.025399 -0.007473 -0.003543 0.007882 27O 2dxz 0.001315 -0.002926 -0.002880 -0.000473 0.003278 -0.005023 27O 2dyz 0.000443 0.001749 -0.032156 -0.006526 -0.000067 -0.003426 27O 2dx2y2 -0.017536 0.020370 0.015353 0.000579 -0.002273 -0.005415 27O 2dxy 0.009640 -0.008079 -0.022213 -0.004479 -0.000629 -0.000606 27O 1f0 -0.001542 0.000747 -0.018605 -0.007747 0.033170 -0.050411 27O 1f+1 -0.005401 -0.009618 0.055414 0.033905 0.274196 -0.340588 27O 1f-1 -0.006371 0.003176 -0.030047 -0.066316 0.052418 -0.085214 27O 1f+2 0.009367 -0.003615 0.179515 0.061190 -0.134679 0.175199 27O 1f-2 0.002803 -0.003083 0.355495 0.051716 -0.035799 0.098582 27O 1f+3 0.011301 0.003608 -0.097341 -0.049751 -0.101751 0.109439 27O 1f-3 -0.005974 -0.002533 0.081547 0.032389 0.169027 -0.205226 28O 1s -0.000626 -0.000346 0.000467 -0.002339 -0.000064 -0.001054 28O 2s -0.002507 -0.001517 0.001341 -0.006959 -0.000210 -0.003566 28O 3s 0.035520 0.027059 -0.006612 0.043453 0.002868 0.030191 28O 4s -0.116151 -0.097345 0.011300 -0.087941 -0.012156 -0.057140 28O 5s -0.183667 -0.267170 -0.088900 0.292216 0.004182 0.153062 28O 1pz -0.003194 -0.005668 0.003134 -0.034102 -0.012797 0.004017 28O 1px 0.004526 0.007334 -0.013092 0.047496 -0.006509 0.007436 28O 1py 0.002688 -0.000614 0.007588 -0.002591 0.019595 -0.008228 28O 2pz 0.045378 0.059166 0.003423 0.027598 0.029922 -0.025021 28O 2px -0.058510 -0.069667 0.013622 -0.062390 0.010481 -0.004240 28O 2py -0.000979 0.009266 -0.009292 -0.001949 -0.042769 0.014201 28O 3pz 0.075966 0.046197 0.069158 -0.226510 -0.019454 0.043883 28O 3px -0.091529 -0.080627 -0.045729 0.114245 -0.008903 0.027493 28O 3py 0.015450 -0.017405 0.042615 -0.095405 0.021897 0.018888 28O 1dz2 0.002156 0.002692 -0.000888 0.033632 -0.005921 0.003770 28O 1dxz 0.005490 0.001525 -0.004537 0.059433 0.037970 -0.018552 28O 1dyz 0.001849 0.001743 -0.018661 0.073969 0.020987 -0.020097 28O 1dx2y2 0.000728 -0.004357 0.019271 -0.029018 0.045490 -0.026957 28O 1dxy -0.002378 0.000645 -0.017992 0.035623 -0.055648 0.020426 28O 2dz2 -0.001643 -0.001412 -0.005982 0.017233 0.003492 -0.001476 28O 2dxz 0.022864 0.024717 0.006347 -0.022938 0.002071 -0.006960 28O 2dyz -0.002636 -0.001361 -0.007110 0.032761 0.000593 -0.001885 28O 2dx2y2 -0.013784 -0.015098 -0.007536 0.017723 0.000528 0.002484 28O 2dxy 0.003174 0.003448 -0.002207 0.012428 -0.000066 -0.000628 28O 1f0 -0.004364 0.007304 0.085372 -0.038762 -0.123560 0.080829 28O 1f+1 -0.000684 0.004033 0.036718 -0.090585 -0.077898 0.041749 28O 1f-1 -0.003488 -0.007821 0.075588 -0.308608 0.032413 -0.003368 28O 1f+2 -0.003488 -0.002737 0.023948 0.060714 0.043606 -0.036631 28O 1f-2 0.003911 -0.001778 0.009206 0.055461 0.094642 -0.072442 28O 1f+3 -0.022660 0.006437 0.038151 -0.111159 -0.209666 0.098841 28O 1f-3 0.007327 -0.004998 0.037549 -0.234294 0.147247 -0.039916 29O 1s 0.000116 0.000028 -0.000002 -0.000211 0.000012 -0.000216 29O 2s 0.000401 0.000033 0.000015 -0.000553 0.000058 -0.000618 29O 3s -0.004795 0.000564 -0.000678 0.002794 -0.000821 0.004219 29O 4s 0.011546 -0.002242 0.001930 -0.007622 0.002807 -0.012818 29O 5s -0.005727 -0.001573 0.004318 0.058499 -0.004736 0.065387 29O 1pz -0.070908 0.071312 0.005960 -0.002020 0.001116 0.001621 29O 1px -0.025495 0.027789 0.001527 -0.001748 0.000136 -0.000735 29O 1py 0.006568 -0.006748 -0.000213 0.001572 -0.000165 -0.000941 29O 2pz 0.354547 -0.362839 -0.029789 0.009652 -0.005294 -0.011706 29O 2px 0.130413 -0.137288 -0.008854 0.010742 -0.001771 0.005205 29O 2py -0.034290 0.034550 0.000998 -0.009861 0.000481 -0.001093 29O 3pz 0.138850 -0.170877 0.013551 -0.017534 -0.003792 -0.018080 29O 3px 0.060180 -0.063049 0.009124 -0.010434 -0.000149 -0.009061 29O 3py -0.019751 0.017969 -0.012924 -0.029400 0.001514 -0.032738 29O 1dz2 -0.007911 0.009489 -0.005111 0.004219 0.000700 -0.000717 29O 1dxz 0.010233 -0.020481 0.009243 -0.006605 0.000425 -0.006055 29O 1dyz 0.012035 -0.018597 0.008577 -0.007153 -0.000005 -0.003646 29O 1dx2y2 0.006964 -0.007719 0.005188 -0.005204 -0.000960 0.000024 29O 1dxy 0.001682 -0.003079 0.001522 -0.002900 -0.000674 0.002879 29O 2dz2 -0.075325 0.079585 0.005631 -0.001179 0.001325 0.003793 29O 2dxz 0.069176 -0.074175 -0.004409 0.003012 -0.001106 -0.003765 29O 2dyz -0.117424 0.120448 0.010209 -0.005319 0.001602 0.003638 29O 2dx2y2 0.021389 -0.023297 -0.001332 -0.000460 -0.000135 -0.001602 29O 2dxy -0.053696 0.055250 0.005871 -0.001902 0.000967 -0.001701 29O 1f0 0.480358 -0.506315 -0.019650 0.004659 -0.007636 -0.016328 29O 1f+1 0.474371 -0.457259 -0.062469 0.036161 -0.004749 0.016713 29O 1f-1 -0.153303 0.160331 0.015193 -0.003581 0.002130 0.007804 29O 1f+2 0.228033 -0.272877 0.037110 -0.029029 -0.005029 -0.024787 29O 1f-2 -0.046054 0.065961 -0.010752 0.012401 0.000648 0.022342 29O 1f+3 -0.045471 0.075135 -0.021501 0.025093 -0.000514 0.022141 29O 1f-3 0.023424 -0.034326 0.015095 -0.014160 -0.001593 0.005630 30O 1s 0.000067 0.000192 0.002095 0.000459 0.000009 0.000934 30O 2s 0.000426 0.000766 0.006217 0.001305 0.000001 0.003028 30O 3s -0.010206 -0.013258 -0.041669 -0.005849 0.001320 -0.023484 30O 4s 0.042535 0.037938 0.103803 0.006746 -0.005051 0.034785 30O 5s 0.061629 0.106099 -0.209242 -0.107882 -0.000790 -0.049703 30O 1pz 0.000109 0.001311 0.024094 0.011713 0.022586 -0.025046 30O 1px -0.003053 0.000912 -0.043914 -0.006964 0.002686 -0.010346 30O 1py -0.000929 -0.000326 -0.027971 -0.001103 0.015360 -0.020236 30O 2pz -0.014801 -0.019218 -0.034842 -0.007809 -0.048881 0.068949 30O 2px 0.031080 0.013889 0.076916 0.001404 -0.007095 0.012484 30O 2py 0.016404 0.017562 0.038572 -0.008883 -0.037800 0.039145 30O 3pz 0.003748 -0.023935 0.133807 0.052790 0.033981 -0.048320 30O 3px 0.015196 0.037398 -0.058607 -0.025923 0.007843 -0.011805 30O 3py 0.000682 0.068235 -0.195138 -0.038257 0.013297 -0.014128 30O 1dz2 0.000635 -0.003282 0.020368 0.001850 0.026778 -0.042066 30O 1dxz 0.001773 0.001009 -0.039548 -0.024016 -0.076761 0.093180 30O 1dyz 0.000429 -0.008095 0.048436 0.017189 0.011779 -0.020189 30O 1dx2y2 0.003015 0.001663 0.036630 -0.000322 -0.015184 0.022102 30O 1dxy 0.007244 -0.000359 0.077905 0.010114 -0.050438 0.064682 30O 2dz2 -0.002432 -0.001518 0.013705 0.005358 -0.000682 0.000075 30O 2dxz -0.007005 -0.007772 0.008012 0.006830 -0.002216 0.010574 30O 2dyz -0.004542 -0.009433 0.042134 0.010692 0.004567 -0.002856 30O 2dx2y2 0.003617 0.000024 0.004125 0.001113 0.000977 -0.003203 30O 2dxy 0.007915 0.008476 0.004556 -0.001156 -0.002293 -0.002140 30O 1f0 -0.010891 0.020133 -0.213418 -0.073728 0.144096 -0.186344 30O 1f+1 0.003048 -0.013653 0.165153 0.029770 0.164290 -0.215704 30O 1f-1 -0.005781 0.004297 -0.127773 0.043189 -0.020980 0.037962 30O 1f+2 0.005013 0.006038 -0.124766 -0.027233 -0.209872 0.273704 30O 1f-2 0.001208 -0.005755 -0.000187 0.014453 0.046227 -0.068939 30O 1f+3 0.000660 -0.015453 0.235595 0.058348 0.060701 -0.084254 30O 1f-3 -0.016828 0.016571 -0.169154 -0.072268 0.198945 -0.228595 31O 1s -0.000061 0.000206 0.002090 0.000456 -0.000006 -0.000933 31O 2s -0.000415 0.000830 0.006201 0.001291 -0.000044 -0.003020 31O 3s 0.010424 -0.014350 -0.041498 -0.005641 0.001629 0.023346 31O 4s -0.044333 0.041895 0.103187 0.006124 -0.005324 -0.034206 31O 5s -0.063368 0.113832 -0.207881 -0.108729 -0.000099 0.049717 31O 1pz 0.000016 -0.001381 -0.024055 -0.011697 -0.023233 -0.024547 31O 1px -0.002943 -0.000558 0.043858 0.006974 -0.002898 -0.010178 31O 1py -0.001027 0.000469 0.028007 0.001115 -0.015833 -0.019706 31O 2pz -0.015237 0.020595 0.034780 0.007640 0.050616 0.067978 31O 2px 0.031654 -0.016786 -0.076813 -0.001253 0.007315 0.011941 31O 2py 0.017407 -0.018968 -0.038764 0.009026 0.038713 0.037674 31O 3pz 0.001751 0.025263 -0.133595 -0.053505 -0.035071 -0.047435 31O 3px 0.016413 -0.040914 0.058288 0.026419 -0.008005 -0.011316 31O 3py 0.000485 -0.069628 0.195124 0.038676 -0.014010 -0.013020 31O 1dz2 -0.000602 -0.003323 0.020414 0.001929 0.027845 0.041472 31O 1dxz -0.001854 0.000939 -0.039429 -0.024093 -0.079068 -0.091181 31O 1dyz -0.000502 -0.008021 0.048282 0.017213 0.012224 0.019964 31O 1dx2y2 -0.003099 0.001977 0.036658 -0.000286 -0.015737 -0.021707 31O 1dxy -0.007040 -0.000083 0.078007 0.010119 -0.052059 -0.063256 31O 2dz2 0.002470 -0.001749 0.013676 0.005374 -0.000681 -0.000063 31O 2dxz 0.007290 -0.008461 0.007998 0.006906 -0.002463 -0.010558 31O 2dyz 0.004774 -0.009684 0.042107 0.010803 0.004612 0.002771 31O 2dx2y2 -0.003666 0.000557 0.004157 0.001119 0.001030 0.003182 31O 2dxy -0.008191 0.009097 0.004642 -0.001242 -0.002240 0.002291 31O 1f0 -0.011319 -0.020022 0.214009 0.073126 -0.148587 -0.182067 31O 1f+1 0.002557 0.013102 -0.164722 -0.030320 -0.169648 -0.211924 31O 1f-1 -0.005356 -0.003326 0.127323 -0.042399 0.021676 0.037458 31O 1f+2 0.005357 -0.005640 0.123996 0.027927 0.216460 0.268247 31O 1f-2 0.001165 0.005391 0.000321 -0.014574 -0.047989 -0.067863 31O 1f+3 0.000031 0.014983 -0.235214 -0.058716 -0.062923 -0.083245 31O 1f-3 -0.017308 -0.016627 0.169882 0.071610 -0.204805 -0.223133 32O 1s -0.000126 -0.000013 0.000015 -0.000215 0.000018 0.000215 32O 2s -0.000443 -0.000101 0.000065 -0.000563 0.000076 0.000616 32O 3s 0.005314 0.001866 -0.000982 0.002839 -0.000970 -0.004186 32O 4s -0.013575 -0.006019 0.002603 -0.007709 0.003295 0.012682 32O 5s 0.011133 0.007219 0.000485 0.059416 -0.006554 -0.065038 32O 1pz -0.073793 -0.068924 -0.005813 0.002217 -0.001031 0.001705 32O 1px -0.026514 -0.026692 -0.001324 0.001723 -0.000126 -0.000714 32O 1py 0.004746 0.004461 0.000164 -0.001556 0.000124 -0.000924 32O 2pz 0.369390 0.350890 0.028717 -0.010727 0.004712 -0.012057 32O 2px 0.134364 0.130885 0.008466 -0.011023 0.001742 0.005080 32O 2py -0.025538 -0.023377 -0.000898 0.009852 -0.000369 -0.001272 32O 3pz 0.145375 0.164888 -0.013865 0.017009 0.002989 -0.018575 32O 3px 0.063585 0.063280 -0.009760 0.010344 -0.000435 -0.009090 32O 3py -0.015670 -0.012446 0.011576 0.029939 -0.002205 -0.032923 32O 1dz2 0.008442 0.009669 -0.005287 0.004614 0.000675 0.000387 32O 1dxz -0.011461 -0.020057 0.008991 -0.006828 0.000647 0.006275 32O 1dyz -0.013042 -0.018376 0.008417 -0.007508 0.000147 0.003887 32O 1dx2y2 -0.007400 -0.007756 0.005101 -0.005152 -0.000895 0.000130 32O 1dxy -0.002034 -0.003483 0.001679 -0.003193 -0.000724 -0.002622 32O 2dz2 0.073047 0.071774 0.004831 -0.001039 0.001088 -0.003811 32O 2dxz -0.075027 -0.074402 -0.004632 0.003314 -0.000950 0.003999 32O 2dyz 0.124046 0.118063 0.009978 -0.005723 0.001439 -0.003796 32O 2dx2y2 -0.025749 -0.025855 -0.001385 -0.000355 -0.000097 0.001701 32O 2dxy 0.053149 0.050655 0.005692 -0.002018 0.000906 0.001747 32O 1f0 0.511135 0.498566 0.020996 -0.006319 0.006817 -0.017633 32O 1f+1 0.489164 0.439123 0.059029 -0.036937 0.004798 0.016591 32O 1f-1 -0.117872 -0.112616 -0.015033 0.004617 -0.001333 0.006215 32O 1f+2 0.243406 0.270377 -0.038026 0.030892 0.003812 -0.027614 32O 1f-2 -0.024995 -0.040318 0.011123 -0.012726 0.000200 0.022345 32O 1f+3 -0.051171 -0.076221 0.022883 -0.026643 0.001395 0.023257 32O 1f-3 0.018795 0.027003 -0.014598 0.013601 0.001373 0.006222 33O 1s 0.000600 -0.000343 0.000469 -0.002327 -0.000024 0.001059 33O 2s 0.002401 -0.001517 0.001350 -0.006923 -0.000080 0.003580 33O 3s -0.033791 0.027296 -0.006769 0.043245 0.001776 -0.030336 33O 4s 0.109880 -0.098542 0.011878 -0.087830 -0.010066 0.057730 33O 5s 0.171274 -0.270533 -0.088521 0.293603 -0.000833 -0.153069 33O 1pz -0.003063 0.005911 -0.003142 0.034093 0.012860 0.003631 33O 1px 0.004207 -0.007359 0.013046 -0.047222 0.006658 0.007404 33O 1py 0.002754 0.000436 -0.007529 0.002577 -0.019629 -0.007807 33O 2pz 0.042665 -0.060600 -0.003145 -0.027681 -0.030533 -0.023983 33O 2px -0.055018 0.070764 -0.013717 0.061674 -0.010353 -0.004311 33O 2py -0.001469 -0.009236 0.009236 0.002053 0.042672 0.013278 33O 3pz 0.072284 -0.045734 -0.068591 0.224471 0.020327 0.041892 33O 3px -0.086414 0.080662 0.045539 -0.114381 0.009649 0.027745 33O 3py 0.016008 0.017465 -0.042874 0.094929 -0.021108 0.018426 33O 1dz2 -0.001979 0.002833 -0.000921 0.033577 -0.005963 -0.003757 33O 1dxz -0.005513 0.001927 -0.004627 0.059335 0.038343 0.017652 33O 1dyz -0.001556 0.001712 -0.018715 0.074232 0.021475 0.019494 33O 1dx2y2 -0.000963 -0.004176 0.019181 -0.029070 0.045870 0.025990 33O 1dxy 0.002316 0.000565 -0.017841 0.035576 -0.055636 -0.019253 33O 2dz2 0.001538 -0.001483 -0.005934 0.017069 0.003553 0.001414 33O 2dxz -0.021577 0.025211 0.006222 -0.022822 0.002318 0.006904 33O 2dyz 0.002602 -0.001538 -0.007110 0.032867 0.000656 0.001814 33O 2dx2y2 0.013009 -0.015317 -0.007483 0.017642 0.000383 -0.002544 33O 2dxy -0.003011 0.003656 -0.002231 0.012385 0.000019 0.000617 33O 1f0 -0.004715 -0.007558 -0.085227 0.036742 0.125152 0.078029 33O 1f+1 -0.000939 -0.004005 -0.036571 0.089997 0.078490 0.039776 33O 1f-1 -0.002690 0.007783 -0.075933 0.308105 -0.031570 -0.003214 33O 1f+2 -0.003409 0.002117 -0.023383 -0.061874 -0.044811 -0.035766 33O 1f-2 0.003755 0.001336 -0.008715 -0.056519 -0.096342 -0.070396 33O 1f+3 -0.022855 -0.005965 -0.038343 0.110055 0.210739 0.093896 33O 1f-3 0.007721 0.004859 -0.037422 0.234700 -0.146578 -0.037001 34O 1s 0.000453 0.000348 -0.002132 -0.000600 -0.000219 -0.001023 34O 2s 0.001905 0.001433 -0.006284 -0.001807 -0.000722 -0.003284 34O 3s -0.028359 -0.022986 0.036460 0.012785 0.007418 0.025572 34O 4s 0.092352 0.075884 -0.072439 -0.030348 -0.021697 -0.037375 34O 5s 0.178882 0.239281 0.264654 0.036565 0.014509 0.054136 34O 1pz -0.001491 -0.000966 -0.005213 0.006620 -0.022639 -0.029263 34O 1px -0.005445 -0.009637 0.055646 0.015539 -0.000821 0.001728 34O 1py -0.001900 0.000984 -0.008852 0.003986 -0.015510 -0.017250 34O 2pz 0.000183 0.000358 0.010456 -0.010178 0.054018 0.072274 34O 2px 0.066085 0.076727 -0.061448 -0.023467 -0.000425 0.012799 34O 2py -0.007052 -0.016234 -0.002723 -0.009033 0.034599 0.036784 34O 3pz -0.009610 -0.013272 0.061904 0.030940 -0.030611 -0.052767 34O 3px 0.085867 0.074428 0.215726 0.028126 -0.000946 0.001593 34O 3py -0.015704 0.018836 -0.166398 -0.014548 -0.017589 -0.008866 34O 1dz2 -0.005710 -0.003081 -0.001079 0.017911 -0.056417 -0.061910 34O 1dxz 0.001367 -0.002348 0.011464 -0.004664 0.061789 0.077968 34O 1dyz 0.002244 0.003051 -0.077273 -0.023486 0.002895 0.015123 34O 1dx2y2 0.001398 0.004691 -0.072271 -0.011387 -0.008300 -0.009011 34O 1dxy 0.000329 0.001402 -0.012476 -0.014324 0.050382 0.066322 34O 2dz2 -0.012498 -0.011651 -0.025342 -0.007515 -0.003763 -0.007869 34O 2dxz -0.001331 -0.002717 -0.002831 -0.000521 0.003412 0.004933 34O 2dyz -0.000528 0.001712 -0.032199 -0.006533 -0.000010 0.003389 34O 2dx2y2 0.017639 0.018945 0.015263 0.000587 -0.002097 0.005606 34O 2dxy -0.009810 -0.007609 -0.022185 -0.004522 -0.000616 0.000598 34O 1f0 -0.001738 -0.000678 0.018636 0.007715 -0.034069 -0.049257 34O 1f+1 -0.005641 0.009276 -0.054892 -0.034136 -0.282781 -0.333830 34O 1f-1 -0.006558 -0.003480 0.030614 0.065584 -0.054422 -0.083827 34O 1f+2 0.009088 0.003196 -0.179900 -0.060833 0.138929 0.171362 34O 1f-2 0.001595 0.002131 -0.355038 -0.052006 0.037753 0.096893 34O 1f+3 0.011539 -0.004350 0.097367 0.049676 0.104617 0.106997 34O 1f-3 -0.006003 0.002852 -0.081163 -0.032556 -0.174157 -0.201074 35O 1s -0.000235 -0.000280 -0.000500 0.001699 0.000134 0.001097 35O 2s -0.001029 -0.001139 -0.001510 0.004770 0.000374 0.003718 35O 3s 0.017966 0.019653 0.011484 -0.023726 -0.000887 -0.031616 35O 4s -0.064959 -0.064658 -0.030849 0.054881 -0.003361 0.057943 35O 5s -0.095716 -0.108678 0.011569 -0.193321 -0.024974 -0.110681 35O 1pz -0.001355 0.002447 -0.003193 -0.004023 0.012373 0.008823 35O 1px 0.003607 0.000174 0.010492 -0.050044 0.005179 -0.002644 35O 1py 0.002825 0.000991 0.013848 -0.017942 -0.019587 -0.008463 35O 2pz 0.001341 -0.015154 0.003296 -0.001343 -0.031066 -0.030437 35O 2px -0.048415 -0.034410 -0.026075 0.065892 -0.020598 -0.009923 35O 2py -0.022151 -0.019680 -0.026366 0.019478 0.040996 0.009595 35O 3pz 0.010467 -0.025248 0.030282 -0.156074 0.009594 0.067696 35O 3px -0.041994 -0.066372 0.023858 -0.168013 -0.001279 0.011197 35O 3py -0.014218 -0.065430 0.051732 -0.159527 -0.030846 0.028782 35O 1dz2 -0.000625 -0.002129 0.000958 -0.069457 0.034082 0.020225 35O 1dxz 0.002337 0.002290 0.000762 0.008475 -0.022895 -0.014936 35O 1dyz 0.006352 -0.002449 0.028095 -0.071239 -0.037370 -0.006855 35O 1dx2y2 -0.003224 -0.003395 -0.006943 0.031953 -0.020813 -0.007127 35O 1dxy -0.006301 -0.006003 -0.016949 0.003486 0.058980 0.031324 35O 2dz2 0.009383 0.008294 0.005861 -0.003588 0.003560 0.005393 35O 2dxz 0.000226 -0.005641 -0.000488 -0.003516 -0.002961 -0.003240 35O 2dyz 0.001137 -0.002680 0.006591 -0.036139 -0.003619 0.000836 35O 2dx2y2 -0.012088 -0.009862 0.001402 -0.017728 -0.002852 -0.004718 35O 2dxy -0.010362 -0.013231 0.003963 -0.027897 -0.000967 -0.001569 35O 1f0 0.001805 -0.004030 0.053322 -0.054603 0.026269 0.006795 35O 1f+1 -0.004311 -0.009313 0.058005 -0.139279 0.180056 0.120440 35O 1f-1 0.000747 0.001709 0.044819 -0.139347 0.020950 0.002109 35O 1f+2 -0.006334 0.017250 -0.021725 0.315386 0.023411 -0.013267 35O 1f-2 0.020142 -0.008602 0.056716 -0.195930 -0.170960 -0.049556 35O 1f+3 -0.005397 0.004990 -0.045470 0.070938 0.074020 0.032585 35O 1f-3 0.006718 0.006630 -0.025560 0.070783 -0.196429 -0.084421 648 649 650 651 652 653 5.49351 5.50028 5.53359 5.53509 5.56731 5.56881 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s 0.000004 -0.000019 -0.000024 -0.000062 -0.000856 -0.001109 0Rh 2s -0.000171 0.000222 0.000525 0.000732 0.010214 0.016821 0Rh 3s -0.000077 0.000016 0.000170 0.000062 0.000891 0.003295 0Rh 4s 0.000965 -0.001309 -0.003012 -0.004333 -0.060474 -0.098283 0Rh 5s -0.002700 0.003473 0.008241 0.011670 0.162780 0.266988 0Rh 6s 0.004126 -0.004489 -0.011944 -0.015458 -0.218171 -0.364496 0Rh 7s -0.007442 0.013627 0.024756 0.030008 0.583022 0.949665 0Rh 8s 0.001065 -0.010989 0.030429 0.036827 -0.194424 0.264443 0Rh 1pz 0.009393 -0.000750 -0.012120 0.047035 0.008637 0.001301 0Rh 1px 0.004438 -0.001035 -0.012250 0.011406 -0.030072 -0.006552 0Rh 1py -0.007412 -0.000560 0.048290 0.014815 -0.006610 -0.002512 0Rh 2pz -0.038817 0.003094 0.049982 -0.193997 -0.035635 -0.005391 0Rh 2px -0.018351 0.004270 0.050544 -0.047015 0.124094 0.027137 0Rh 2py 0.030629 0.002296 -0.199142 -0.061095 0.027278 0.010417 0Rh 3pz 0.121881 -0.009634 -0.154721 0.601412 0.110597 0.017127 0Rh 3px 0.057815 -0.013272 -0.157057 0.145147 -0.385333 -0.085977 0Rh 3py -0.096142 -0.006873 0.616740 0.189135 -0.084684 -0.033278 0Rh 4pz -0.151869 0.011755 0.185592 -0.725185 -0.134208 -0.021405 0Rh 4px -0.072590 0.016208 0.190574 -0.173008 0.467413 0.107882 0Rh 4py 0.119533 0.007573 -0.741929 -0.227083 0.102551 0.042668 0Rh 5pz 0.081588 -0.005881 -0.084441 0.340763 0.068170 0.010129 0Rh 5px 0.039774 -0.008484 -0.091975 0.076240 -0.233944 -0.055530 0Rh 5py -0.063028 -0.001998 0.344625 0.103868 -0.050621 -0.023726 0Rh 6pz -0.081887 0.014715 0.054281 -0.274906 -0.077284 0.100256 0Rh 6px -0.033937 0.012167 0.075359 -0.030204 0.207768 -0.216432 0Rh 6py 0.048354 -0.012321 -0.225542 -0.051313 0.046587 -0.039581 0Rh 1dz2 -0.000318 0.003250 -0.000253 0.003313 0.004921 0.008619 0Rh 1dxz -0.000493 0.001686 0.001403 -0.003435 0.006400 0.012277 0Rh 1dyz 0.000603 -0.002164 0.000465 0.000702 0.001230 0.002023 0Rh 1dx2y2 0.000417 0.001959 0.000885 -0.001512 -0.009998 -0.018558 0Rh 1dxy 0.000168 0.000184 -0.005842 -0.001678 -0.004107 -0.007525 0Rh 2dz2 -0.000232 0.000567 0.000288 -0.001567 -0.002791 -0.004334 0Rh 2dxz 0.000396 0.000165 -0.000630 0.002121 -0.003631 -0.006013 0Rh 2dyz 0.000139 -0.000054 -0.000540 -0.000072 -0.000631 -0.000849 0Rh 2dx2y2 0.000051 0.000561 -0.000742 0.000729 0.005564 0.008976 0Rh 2dxy -0.000322 0.000127 0.002845 0.000946 0.002175 0.003568 0Rh 3dz2 0.002643 -0.018255 -0.000145 -0.008669 -0.010798 -0.021522 0Rh 3dxz 0.000489 -0.008876 -0.003840 0.006599 -0.014064 -0.031502 0Rh 3dyz -0.003617 0.010650 0.000355 -0.003104 -0.003021 -0.005868 0Rh 3dx2y2 -0.002305 -0.012017 -0.000744 0.003901 0.022447 0.048048 0Rh 3dxy 0.000730 -0.001478 0.014922 0.003660 0.009786 0.019888 0Rh 4dz2 -0.006624 0.037944 0.001665 0.010502 0.009264 0.024340 0Rh 4dxz 0.001191 0.018029 0.005162 -0.003222 0.012096 0.037500 0Rh 4dyz 0.008547 -0.020986 -0.003809 0.006305 0.003270 0.008305 0Rh 4dx2y2 0.005565 0.025750 -0.002419 -0.004814 -0.020286 -0.057623 0Rh 4dxy -0.003256 0.003464 -0.017514 -0.003061 -0.010178 -0.024830 0Rh 5dz2 0.016754 -0.051478 -0.005741 0.009425 0.043307 0.039024 0Rh 5dxz -0.013571 -0.023166 -0.000344 -0.025805 0.057572 0.047092 0Rh 5dyz -0.019967 0.025523 0.016226 -0.003447 0.008066 0.000847 0Rh 5dx2y2 -0.016826 -0.037946 0.015884 -0.002514 -0.085437 -0.071404 0Rh 5dxy 0.014311 -0.006071 -0.012213 -0.006750 -0.029891 -0.024393 0Rh 1f0 -0.002514 0.001402 -0.004924 -0.000588 0.001118 -0.000836 0Rh 1f+1 -0.002818 -0.001025 0.000319 -0.003922 -0.000680 0.000139 0Rh 1f-1 -0.000287 -0.000587 -0.004286 -0.008367 0.000022 -0.000019 0Rh 1f+2 -0.000326 -0.000509 -0.003931 0.008716 -0.001015 0.000208 0Rh 1f-2 0.001129 0.000943 -0.006417 -0.000433 -0.000124 0.000017 0Rh 1f+3 -0.001390 0.001318 0.005179 -0.003021 -0.001718 0.000847 0Rh 1f-3 0.001363 0.000230 -0.003827 -0.000388 -0.000663 0.000088 1Rh 1s -0.000007 -0.000019 0.000020 0.000059 -0.000853 0.001106 1Rh 2s 0.000200 0.000220 -0.000492 -0.000712 0.010182 -0.016806 1Rh 3s 0.000078 0.000017 -0.000172 -0.000063 0.000891 -0.003303 1Rh 4s -0.001140 -0.001296 0.002813 0.004212 -0.060284 0.098191 1Rh 5s 0.003164 0.003441 -0.007714 -0.011348 0.162270 -0.266750 1Rh 6s -0.004700 -0.004457 0.011300 0.015056 -0.217523 0.364270 1Rh 7s 0.008316 0.013563 -0.023533 -0.029461 0.581437 -0.949423 1Rh 8s -0.000928 -0.010557 -0.030714 -0.036196 -0.194244 -0.264363 1Rh 1pz 0.009358 0.000550 -0.012146 0.047088 -0.008628 0.001439 1Rh 1px 0.004542 0.001005 -0.012256 0.011402 0.030069 -0.006552 1Rh 1py -0.007321 0.000407 0.048334 0.014863 0.006553 -0.002467 1Rh 2pz -0.038672 -0.002273 0.050088 -0.194216 0.035600 -0.005961 1Rh 2px -0.018777 -0.004145 0.050568 -0.046998 -0.124081 0.027138 1Rh 2py 0.030254 -0.001667 -0.199321 -0.061289 -0.027041 0.010232 1Rh 3pz 0.121439 0.007098 -0.155047 0.602063 -0.110492 0.018890 1Rh 3px 0.059126 0.012885 -0.157136 0.145098 0.385278 -0.085973 1Rh 3py -0.094992 0.004936 0.617271 0.189726 0.083953 -0.032729 1Rh 4pz -0.151354 -0.008706 0.185972 -0.725901 0.134095 -0.023517 1Rh 4px -0.074145 -0.015743 0.190681 -0.172969 -0.467310 0.107845 1Rh 4py 0.118171 -0.005265 -0.742505 -0.227761 -0.101678 0.042094 1Rh 5pz 0.081381 0.004419 -0.084580 0.341010 -0.068158 0.011104 1Rh 5px 0.040447 0.008265 -0.092042 0.076267 0.233856 -0.055450 1Rh 5py -0.062396 0.000952 0.344774 0.104138 0.050253 -0.023654 1Rh 6pz -0.081683 -0.013216 0.052742 -0.277259 0.077744 0.098928 1Rh 6px -0.033587 -0.011975 0.074736 -0.030715 -0.208367 -0.216852 1Rh 6py 0.046492 0.012623 -0.224857 -0.054036 -0.047209 -0.038652 1Rh 1dz2 0.000347 0.003283 0.000246 -0.003293 0.004930 -0.008648 1Rh 1dxz 0.000502 0.001642 -0.001402 0.003442 0.006384 -0.012301 1Rh 1dyz -0.000555 -0.002156 -0.000489 -0.000706 0.001279 -0.002077 1Rh 1dx2y2 -0.000420 0.001955 -0.000904 0.001517 -0.009968 0.018572 1Rh 1dxy -0.000170 0.000152 0.005833 0.001659 -0.004101 0.007508 1Rh 2dz2 0.000218 0.000560 -0.000289 0.001567 -0.002795 0.004347 1Rh 2dxz -0.000405 0.000181 0.000628 -0.002122 -0.003624 0.006017 1Rh 2dyz -0.000159 -0.000053 0.000538 0.000063 -0.000651 0.000873 1Rh 2dx2y2 -0.000043 0.000564 0.000754 -0.000724 0.005550 -0.008979 1Rh 2dxy 0.000321 0.000141 -0.002843 -0.000946 0.002169 -0.003561 1Rh 3dz2 -0.002718 -0.018382 0.000186 0.008572 -0.010824 0.021602 1Rh 3dxz -0.000488 -0.008736 0.003847 -0.006625 -0.014024 0.031600 1Rh 3dyz 0.003476 0.010607 -0.000227 0.003169 -0.003160 0.006014 1Rh 3dx2y2 0.002275 -0.012011 0.000780 -0.003949 0.022366 -0.048099 1Rh 3dxy -0.000717 -0.001389 -0.014883 -0.003572 0.009784 -0.019835 1Rh 4dz2 0.006708 0.038171 -0.001776 -0.010321 0.009297 -0.024437 1Rh 4dxz -0.001241 0.017809 -0.005185 0.003259 0.012044 -0.037683 1Rh 4dyz -0.008345 -0.020891 0.003512 -0.006492 0.003462 -0.008493 1Rh 4dx2y2 -0.005450 0.025752 0.002395 0.004935 -0.020176 0.057700 1Rh 4dxy 0.003228 0.003343 0.017429 0.002874 -0.010202 0.024742 1Rh 5dz2 -0.016651 -0.051677 0.006088 -0.009472 0.043349 -0.039196 1Rh 5dxz 0.013830 -0.023039 0.000409 0.025843 0.057535 -0.046862 1Rh 5dyz 0.019938 0.025393 -0.015628 0.004002 0.008200 -0.001081 1Rh 5dx2y2 0.016454 -0.038000 -0.016049 0.002250 -0.085377 0.071391 1Rh 5dxy -0.014305 -0.006053 0.012383 0.007002 -0.029688 0.024418 1Rh 1f0 -0.002548 -0.001383 -0.004935 -0.000602 -0.001117 -0.000854 1Rh 1f+1 -0.002816 0.001061 0.000326 -0.003936 0.000674 0.000138 1Rh 1f-1 -0.000311 0.000655 -0.004321 -0.008419 -0.000010 -0.000082 1Rh 1f+2 -0.000344 0.000453 -0.003913 0.008754 0.001023 0.000231 1Rh 1f-2 0.001116 -0.000927 -0.006417 -0.000446 0.000118 0.000019 1Rh 1f+3 -0.001366 -0.001302 0.005166 -0.003038 0.001724 0.000843 1Rh 1f-3 0.001349 -0.000224 -0.003842 -0.000423 0.000663 0.000075 2C 1s 0.000123 0.000310 0.003378 0.010448 0.006041 -0.001561 2C 2s -0.000271 0.000759 0.004871 0.014970 0.011287 -0.001769 2C 3s 0.014165 -0.008462 0.073659 0.241338 -0.003415 -0.032192 2C 4s -0.060918 0.023410 -0.531339 -1.719479 -0.391516 0.180641 2C 5s 0.201602 -0.009378 0.320301 1.176306 0.624363 -0.003096 2C 1pz 0.001840 -0.003715 -0.010083 -0.032291 -0.041799 0.009445 2C 1px 0.000676 -0.000136 -0.001437 -0.005514 -0.004829 -0.024430 2C 1py -0.001739 0.000162 -0.008853 -0.023152 -0.029802 -0.003237 2C 2pz -0.037443 0.027254 -0.282818 -0.887191 -0.247779 -0.069410 2C 2px -0.013390 -0.000498 -0.088307 -0.261470 -0.134418 0.220576 2C 2py 0.001968 -0.007823 -0.152331 -0.559831 -0.123318 0.033511 2C 3pz 0.055003 -0.016109 0.059031 0.213612 0.168927 0.019659 2C 3px 0.022643 -0.014363 0.021068 0.063357 0.076895 -0.048368 2C 3py -0.000707 0.042172 0.032670 0.140336 0.101825 -0.001765 2C 1dz2 -0.043632 0.033142 -0.031347 -0.086313 -0.041362 -0.023176 2C 1dxz -0.028794 0.019846 -0.012916 -0.036864 -0.018687 0.037740 2C 1dyz 0.023068 -0.021963 -0.039711 -0.131708 -0.061963 -0.000324 2C 1dx2y2 -0.031935 0.026943 0.010846 0.043536 0.022580 0.002174 2C 1dxy 0.005411 -0.003132 -0.008130 -0.024308 -0.011949 0.029910 2C 2dz2 -0.065588 0.046453 -0.065985 -0.187513 -0.041773 -0.093091 2C 2dxz -0.054039 0.042253 -0.004147 -0.005478 0.032757 0.141112 2C 2dyz 0.022579 -0.019356 -0.093439 -0.325245 -0.097027 -0.025125 2C 2dx2y2 -0.044301 0.027128 0.009951 0.051638 -0.007453 0.001435 2C 2dxy 0.029274 -0.027469 -0.020047 -0.060363 -0.030846 0.107485 2C 1f0 -0.077736 0.057055 -0.019241 -0.042193 -0.013158 -0.063673 2C 1f+1 -0.022307 0.012986 -0.021568 -0.061044 -0.030143 0.062316 2C 1f-1 -0.007710 0.003715 -0.035953 -0.112465 -0.027077 -0.019587 2C 1f+2 -0.047996 0.039257 0.029340 0.103637 0.035849 0.004951 2C 1f-2 -0.025784 0.016401 -0.017444 -0.051595 -0.012943 0.112032 2C 1f+3 -0.005812 0.003307 0.005691 0.014553 0.005858 0.012570 2C 1f-3 0.026551 -0.019558 -0.010826 -0.038447 -0.021504 -0.035323 3C 1s 0.001595 -0.000075 -0.010559 0.003450 0.006012 -0.000512 3C 2s 0.001856 -0.000355 -0.015151 0.004989 0.011311 -0.000348 3C 3s 0.036544 0.008713 -0.241352 0.075625 -0.005337 -0.007327 3C 4s -0.236472 -0.036750 1.721321 -0.540282 -0.380500 0.008348 3C 5s 0.608014 0.044306 -1.115271 0.360410 0.627810 0.108904 3C 1pz -0.003689 -0.000799 0.022059 -0.008755 -0.028740 0.006974 3C 1px -0.001359 -0.000345 0.009812 -0.003740 -0.014974 -0.026070 3C 1py 0.005735 -0.001182 -0.031786 0.009619 0.040322 -0.003503 3C 2pz -0.037915 -0.000109 0.424865 -0.107906 -0.046629 -0.105147 3C 2px -0.042744 -0.003901 0.389907 -0.118971 -0.123104 0.201485 3C 2py 0.085062 0.029026 -0.908517 0.294257 0.280419 0.107269 3C 3pz 0.080985 -0.034154 -0.108766 0.029166 0.066464 0.028665 3C 3px 0.052269 -0.006214 -0.088056 0.030939 0.088111 -0.039205 3C 3py -0.123705 -0.024575 0.205292 -0.070666 -0.183240 -0.033246 3C 1dz2 -0.010243 0.027006 -0.021341 0.009258 0.008469 -0.012794 3C 1dxz -0.014566 0.015859 0.048292 -0.012673 -0.023243 0.017432 3C 1dyz 0.023226 -0.018640 -0.117067 0.036801 0.057394 0.025612 3C 1dx2y2 -0.001886 0.024395 -0.080143 0.028820 0.040589 0.028347 3C 1dxy 0.007098 0.003293 -0.074678 0.021736 0.032828 -0.035041 3C 2dz2 -0.001750 0.015560 -0.065449 0.029311 0.028656 -0.044837 3C 2dxz -0.016378 0.019342 0.074685 -0.012940 -0.001160 0.078421 3C 2dyz 0.056297 -0.027412 -0.313906 0.098919 0.121080 0.101912 3C 2dx2y2 -0.014737 0.046543 -0.129220 0.043332 0.003811 0.101706 3C 2dxy 0.005724 0.017589 -0.134050 0.035464 0.007104 -0.127236 3C 1f0 -0.003730 0.012959 -0.029189 0.009041 -0.001549 0.008514 3C 1f+1 -0.014506 0.016609 0.032698 -0.011027 -0.020665 -0.027715 3C 1f-1 0.026713 -0.051921 -0.004839 -0.001777 0.008748 0.049791 3C 1f+2 0.015877 0.005061 -0.095463 0.033304 0.024740 0.048637 3C 1f-2 0.027941 -0.016299 -0.109736 0.031452 0.033078 -0.067876 3C 1f+3 -0.013233 -0.004958 0.089324 -0.026272 -0.029375 0.062470 3C 1f-3 -0.002945 0.020955 -0.052029 0.023398 0.030290 0.091874 4C 1s -0.000749 0.000010 -0.000072 0.000033 0.006401 -0.000064 4C 2s -0.001359 0.000078 0.001373 0.005076 0.013702 0.000028 4C 3s 0.005253 -0.006251 -0.145686 -0.499113 -0.203625 0.007386 4C 4s 0.038919 0.016813 0.667619 2.297962 0.598760 -0.008253 4C 5s -0.134486 0.012078 -0.218071 -0.763298 -0.315033 0.032555 4C 1pz 0.009271 -0.003803 0.021877 0.060968 0.004038 -0.020104 4C 1px 0.002325 -0.003086 0.006679 0.007940 -0.006763 0.050621 4C 1py -0.001966 0.005922 0.007627 0.042481 0.000791 0.007207 4C 2pz 0.049062 -0.050822 -0.257295 -0.856511 -0.311223 0.044623 4C 2px 0.027632 -0.028478 -0.067168 -0.173117 -0.060021 -0.005578 4C 2py -0.165012 0.124532 -0.195490 -0.559629 -0.210569 0.024910 4C 3pz 0.060704 0.055674 0.115586 0.453500 0.510217 0.080805 4C 3px -0.008674 0.033241 -0.003332 0.040225 0.088442 -0.150453 4C 3py 0.099931 -0.039862 0.066400 0.290699 0.347571 -0.007805 4C 1dz2 0.071422 -0.059347 0.033205 0.038871 0.010928 0.001891 4C 1dxz 0.029467 -0.025691 0.018930 0.026585 0.023668 -0.007312 4C 1dyz -0.032253 0.032895 0.006083 0.051833 -0.021763 -0.003267 4C 1dx2y2 0.042515 -0.041593 -0.000570 -0.042112 -0.038896 -0.001247 4C 1dxy 0.007403 -0.005061 0.000651 -0.000968 -0.023989 -0.002318 4C 2dz2 -0.002358 0.001753 0.036124 0.162094 0.064676 -0.207569 4C 2dxz -0.000404 -0.011711 0.012680 0.072789 0.041190 0.321489 4C 2dyz 0.013251 -0.008997 0.107142 0.328194 0.085857 -0.020281 4C 2dx2y2 -0.009005 0.014557 -0.016003 0.002905 -0.049878 0.042315 4C 2dxy -0.006904 0.003883 0.034015 0.134843 0.012199 0.252710 4C 1f0 0.179014 -0.142911 -0.007835 -0.089076 -0.035442 0.049100 4C 1f+1 0.088821 -0.070950 -0.044330 -0.166548 -0.060241 -0.056116 4C 1f-1 0.017048 -0.021982 -0.097624 -0.314980 -0.183777 0.085644 4C 1f+2 0.151309 -0.113960 0.088576 0.225374 0.111049 0.043133 4C 1f-2 0.035960 -0.032317 -0.032445 -0.116834 -0.060048 -0.137712 4C 1f+3 -0.023549 0.021643 -0.014730 -0.030157 -0.021689 0.029053 4C 1f-3 -0.070293 0.043629 -0.033655 -0.096194 -0.033295 0.088871 5C 1s -0.002184 -0.000012 0.000321 -0.000164 0.006228 0.000148 5C 2s -0.003603 0.000011 -0.004334 0.001300 0.013421 0.000576 5C 3s -0.012729 0.001997 0.492621 -0.156370 -0.208258 -0.022653 5C 4s 0.199026 0.003051 -2.280769 0.724334 0.628954 0.111810 5C 5s -0.373527 -0.019150 0.725830 -0.247015 -0.309301 -0.044946 5C 1pz 0.015321 -0.005526 -0.041566 0.004651 0.002408 -0.015183 5C 1px 0.006892 0.000199 -0.017882 0.012444 0.000991 0.053864 5C 1py -0.019533 -0.003876 0.060467 -0.021409 -0.000872 0.006626 5C 2pz -0.032218 -0.106162 0.471886 -0.137766 -0.167729 -0.031177 5C 2px -0.035586 -0.030666 0.318232 -0.161695 -0.121943 -0.005188 5C 2py 0.163627 -0.038563 -0.859734 0.246144 0.300962 0.045908 5C 3pz 0.167983 0.048333 -0.241996 0.086864 0.320179 0.092649 5C 3px 0.106708 0.008591 -0.151176 0.027304 0.181183 -0.136177 5C 3py -0.316317 0.033512 0.409209 -0.145172 -0.521734 -0.083484 5C 1dz2 0.022183 -0.050033 -0.013025 -0.015285 0.028696 0.001100 5C 1dxz 0.017079 -0.021594 -0.034126 0.002381 0.021692 -0.002021 5C 1dyz -0.024010 0.026175 0.045159 -0.003975 0.028358 0.001979 5C 1dx2y2 0.001397 -0.036042 0.047400 -0.028411 -0.030891 -0.001406 5C 1dxy -0.010335 -0.001913 0.035402 -0.012150 -0.004790 0.005464 5C 2dz2 -0.016267 0.008133 0.117171 -0.016552 -0.009751 -0.130612 5C 2dxz -0.001684 0.007786 -0.039306 0.014018 0.042796 0.175122 5C 2dyz -0.029352 -0.003632 0.318179 -0.112609 -0.071284 0.142570 5C 2dx2y2 -0.005625 -0.016168 0.128720 -0.028394 -0.063492 0.210593 5C 2dxy -0.010756 -0.008028 0.145306 -0.032926 -0.059447 -0.353709 5C 1f0 0.019666 -0.010848 -0.145755 0.043280 0.094575 -0.049048 5C 1f+1 0.015437 -0.045670 0.067750 -0.023061 -0.018825 0.074490 5C 1f-1 -0.065824 0.141803 -0.020481 0.023128 0.015113 -0.072469 5C 1f+2 0.025178 -0.011053 -0.221103 0.066127 0.124992 -0.032157 5C 1f-2 -0.005947 0.057035 -0.219376 0.087169 0.121265 0.153337 5C 1f+3 -0.040553 0.026864 0.237826 -0.073483 -0.115853 -0.020720 5C 1f-3 0.052678 -0.061612 -0.172774 0.044083 0.063050 -0.077227 6C 1s 0.002178 -0.000014 -0.000311 0.000162 0.006230 -0.000130 6C 2s 0.003584 0.000006 0.004358 -0.001303 0.013422 -0.000546 6C 3s 0.013381 0.002304 -0.493327 0.156285 -0.207968 0.022259 6C 4s -0.201659 0.001559 2.283529 -0.723878 0.627654 -0.111253 6C 5s 0.373336 -0.018958 -0.725989 0.245537 -0.308959 0.045451 6C 1pz 0.015388 0.005604 -0.041553 0.004642 -0.002389 -0.015215 6C 1px 0.006817 -0.000227 -0.017928 0.012445 -0.000874 0.053983 6C 1py -0.019650 0.003841 0.060504 -0.021338 0.000877 0.006621 6C 2pz -0.033725 0.105646 0.472102 -0.137046 0.167157 -0.030581 6C 2px -0.036566 0.031006 0.319863 -0.162450 0.122392 -0.006845 6C 2py 0.165046 0.039877 -0.859986 0.245233 -0.300115 0.045397 6C 3pz 0.166749 -0.048365 -0.242790 0.086675 -0.319925 0.092370 6C 3px 0.106492 -0.008363 -0.151439 0.027501 -0.181195 -0.137720 6C 3py -0.313952 -0.033697 0.410664 -0.144941 0.521869 -0.082184 6C 1dz2 -0.021917 -0.050242 0.013011 0.015266 0.028678 -0.001082 6C 1dxz -0.016909 -0.021666 0.034135 -0.002428 0.021685 0.002063 6C 1dyz 0.023906 0.026334 -0.045106 0.003967 0.028419 -0.001951 6C 1dx2y2 -0.001296 -0.036156 -0.047467 0.028335 -0.030765 0.001417 6C 1dxy 0.010305 -0.001816 -0.035452 0.012056 -0.004776 -0.005491 6C 2dz2 0.015964 0.008324 -0.117323 0.016198 -0.009361 0.130590 6C 2dxz 0.001476 0.007488 0.039269 -0.013720 0.042334 -0.174701 6C 2dyz 0.030342 -0.003440 -0.318521 0.112714 -0.071501 -0.142421 6C 2dx2y2 0.006647 -0.015823 -0.128805 0.028267 -0.064052 -0.210326 6C 2dxy 0.010812 -0.007616 -0.145452 0.032519 -0.058379 0.353130 6C 1f0 0.019733 0.010914 -0.145859 0.043162 -0.094563 -0.049301 6C 1f+1 0.015132 0.045760 0.067751 -0.022935 0.018856 0.074538 6C 1f-1 -0.065016 -0.142168 -0.020627 0.022911 -0.015239 -0.072560 6C 1f+2 0.025326 0.011185 -0.221214 0.066170 -0.124789 -0.032205 6C 1f-2 -0.005835 -0.057208 -0.219918 0.087111 -0.120776 0.153239 6C 1f+3 -0.040427 -0.027035 0.237979 -0.073460 0.115598 -0.020622 6C 1f-3 0.052474 0.061869 -0.172846 0.044088 -0.063070 -0.077349 7C 1s 0.000757 -0.000010 0.000077 -0.000027 0.006409 0.000037 7C 2s 0.001363 0.000051 -0.001366 -0.005062 0.013721 -0.000091 7C 3s -0.004478 -0.006999 0.146176 0.498988 -0.204134 -0.006139 7C 4s -0.041843 0.022231 -0.670214 -2.297796 0.600769 0.003340 7C 5s 0.133924 0.009629 0.218320 0.763017 -0.315433 -0.031691 7C 1pz 0.009405 0.003602 0.021917 0.060933 -0.004153 -0.020227 7C 1px 0.002383 0.003036 0.006709 0.008003 0.006835 0.050906 7C 1py -0.001894 -0.006050 0.007703 0.042591 -0.000764 0.007211 7C 2pz 0.049254 0.054378 -0.256922 -0.854701 0.311539 0.044404 7C 2px 0.027938 0.029252 -0.067049 -0.172402 0.060074 -0.007761 7C 2py -0.165537 -0.122036 -0.196834 -0.563334 0.212225 0.024225 7C 3pz 0.061566 -0.056392 0.116200 0.452376 -0.509688 0.084444 7C 3px -0.008805 -0.032828 -0.003945 0.037301 -0.087442 -0.150953 7C 3py 0.100966 0.039267 0.067119 0.291321 -0.348437 -0.005478 7C 1dz2 -0.071802 -0.059183 -0.033213 -0.038781 0.010941 -0.001834 7C 1dxz -0.029489 -0.025489 -0.018865 -0.026460 0.023609 0.007163 7C 1dyz 0.032040 0.032923 -0.006174 -0.051795 -0.021777 0.003360 7C 1dx2y2 -0.042682 -0.041766 0.000489 0.042044 -0.038885 0.001312 7C 1dxy -0.007666 -0.005191 -0.000715 0.000952 -0.023982 0.002503 7C 2dz2 0.002914 0.002589 -0.035600 -0.160308 0.064653 0.206971 7C 2dxz 0.000511 -0.011002 -0.012468 -0.072998 0.041276 -0.320854 7C 2dyz -0.013610 -0.007991 -0.107720 -0.329240 0.086313 0.020402 7C 2dx2y2 0.008283 0.013907 0.016068 -0.001807 -0.050289 -0.042227 7C 2dxy 0.006567 0.004171 -0.034457 -0.135369 0.012175 -0.253936 7C 1f0 0.179501 0.142940 -0.007209 -0.086806 0.034533 0.048527 7C 1f+1 0.088572 0.071121 -0.044092 -0.165405 0.059834 -0.056254 7C 1f-1 0.018647 0.024273 -0.097252 -0.314495 0.183934 0.085385 7C 1f+2 0.151571 0.112843 0.089211 0.227041 -0.112046 0.043886 7C 1f-2 0.036493 0.033062 -0.032319 -0.116549 0.059854 -0.138760 7C 1f+3 -0.023324 -0.021288 -0.014754 -0.030373 0.021799 0.028715 7C 1f-3 -0.071008 -0.043632 -0.034042 -0.096804 0.033689 0.088783 8C 1s -0.001595 -0.000077 0.010570 -0.003446 0.006003 0.000542 8C 2s -0.001849 -0.000351 0.015166 -0.004987 0.011296 0.000385 8C 3s -0.037178 0.008347 0.241625 -0.075337 -0.005427 0.007813 8C 4s 0.239832 -0.034886 -1.723087 0.538739 -0.379512 -0.011104 8C 5s -0.606406 0.042928 1.117387 -0.358843 0.627420 -0.107489 8C 1pz -0.003643 0.000830 0.022036 -0.008757 0.028675 0.007011 8C 1px -0.001285 0.000354 0.009800 -0.003724 0.014827 -0.026044 8C 1py 0.005654 0.001176 -0.031870 0.009632 -0.040348 -0.003546 8C 2pz -0.038984 -0.000670 0.426219 -0.107783 0.047233 -0.105563 8C 2px -0.043989 0.003540 0.392043 -0.119446 0.125100 0.201104 8C 2py 0.086803 -0.028125 -0.908033 0.293494 -0.278275 0.107758 8C 3pz 0.080552 0.034279 -0.109108 0.029120 -0.066687 0.028420 8C 3px 0.052004 0.006201 -0.088575 0.030854 -0.089047 -0.039131 8C 3py -0.123286 0.024514 0.205487 -0.070499 0.182665 -0.033108 8C 1dz2 0.010065 0.027046 0.021437 -0.009253 0.008511 0.012770 8C 1dxz 0.014610 0.016016 -0.048311 0.012702 -0.023218 -0.017406 8C 1dyz -0.023143 -0.018720 0.117069 -0.036776 0.057169 -0.025645 8C 1dx2y2 0.001714 0.024396 0.080339 -0.028795 0.040560 -0.028363 8C 1dxy -0.007171 0.003290 0.074748 -0.021698 0.032816 0.035008 8C 2dz2 0.001404 0.015658 0.065695 -0.029479 0.028792 0.044556 8C 2dxz 0.016795 0.020114 -0.074238 0.012871 -0.001050 -0.078110 8C 2dyz -0.056307 -0.027522 0.313895 -0.098704 0.120312 -0.102438 8C 2dx2y2 0.013961 0.046163 0.130344 -0.043472 0.004331 -0.101847 8C 2dxy -0.006207 0.017596 0.133625 -0.035225 0.006982 0.127108 8C 1f0 -0.003618 -0.012926 -0.029181 0.008963 0.001547 0.008422 8C 1f+1 -0.014103 -0.016480 0.032083 -0.010763 0.020371 -0.027908 8C 1f-1 0.026401 0.052113 -0.004779 -0.001691 -0.008542 0.050049 8C 1f+2 0.015944 -0.004870 -0.095492 0.033154 -0.024586 0.048302 8C 1f-2 0.028029 0.016311 -0.110137 0.031468 -0.033132 -0.068335 8C 1f+3 -0.013406 0.004823 0.089108 -0.026204 0.029340 0.062158 8C 1f-3 -0.002981 -0.021129 -0.052362 0.023446 -0.030121 0.091959 9C 1s -0.000144 0.000332 -0.003371 -0.010437 0.006051 0.001568 9C 2s 0.000227 0.000769 -0.004858 -0.014946 0.011302 0.001759 9C 3s -0.014264 -0.007327 -0.073924 -0.241651 -0.003108 0.032650 9C 4s 0.062608 0.017363 0.532455 1.720312 -0.393610 -0.181742 9C 5s -0.202112 -0.004874 -0.322194 -1.176472 0.625051 -0.001046 9C 1pz 0.001760 0.003734 -0.010031 -0.032218 0.041856 0.009309 9C 1px 0.000659 0.000174 -0.001425 -0.005514 0.004786 -0.024486 9C 1py -0.001808 -0.000157 -0.008807 -0.023035 0.029761 -0.003329 9C 2pz -0.037862 -0.024057 -0.282404 -0.883459 0.245669 -0.071142 9C 2px -0.013390 0.001112 -0.088222 -0.260169 0.134285 0.220221 9C 2py 0.001593 0.009982 -0.155012 -0.566928 0.128788 0.032847 9C 3pz 0.055302 0.015851 0.059110 0.212724 -0.167666 0.020803 9C 3px 0.022496 0.014147 0.021046 0.063370 -0.076976 -0.048173 9C 3py -0.000378 -0.042309 0.033255 0.141363 -0.103928 -0.001363 9C 1dz2 0.043959 0.032959 0.031264 0.085897 -0.041257 0.023363 9C 1dxz 0.028832 0.019668 0.012813 0.036538 -0.018644 -0.037714 9C 1dyz -0.022426 -0.021926 0.039835 0.131901 -0.062152 0.000698 9C 1dx2y2 0.032353 0.027253 -0.010961 -0.043846 0.022789 -0.002214 9C 1dxy -0.005271 -0.003103 0.008062 0.024045 -0.011787 -0.029969 9C 2dz2 0.065689 0.045396 0.066288 0.187605 -0.042511 0.093305 9C 2dxz 0.053734 0.041787 0.003944 0.004648 0.032420 -0.141666 9C 2dyz -0.021282 -0.019495 0.093864 0.325574 -0.096893 0.026394 9C 2dx2y2 0.046177 0.028829 -0.010170 -0.052143 -0.007397 -0.001298 9C 2dxy -0.029043 -0.027290 0.019710 0.058877 -0.029693 -0.107239 9C 1f0 -0.078375 -0.057073 -0.019176 -0.041906 0.013316 -0.063177 9C 1f+1 -0.022279 -0.012671 -0.021424 -0.060626 0.029995 0.061668 9C 1f-1 -0.008268 -0.003586 -0.035968 -0.112271 0.027112 -0.020208 9C 1f+2 -0.047463 -0.039218 0.029729 0.104738 -0.036076 0.004007 9C 1f-2 -0.025996 -0.016291 -0.017267 -0.051001 0.013033 0.112931 9C 1f+3 -0.006151 -0.003610 0.005537 0.014333 -0.005802 0.013637 9C 1f-3 0.026342 0.019448 -0.010621 -0.037795 0.021250 -0.036200 10H 1s 0.000112 0.002767 0.019804 0.061237 0.030395 0.006272 10H 2s -0.016253 0.019798 0.035712 0.104173 0.068425 -0.041411 10H 3s -0.018919 0.006826 -0.036660 -0.123202 -0.052064 0.052933 10H 1pz -0.001262 0.001877 0.008104 0.022948 0.010174 -0.015032 10H 1px 0.003781 -0.005739 -0.015571 -0.047204 -0.024307 0.005574 10H 1py -0.004954 0.005084 0.003435 0.011150 0.006500 -0.012799 11H 1s 0.033695 -0.023574 0.002068 0.005809 -0.009832 -0.021452 11H 2s 0.039750 -0.036275 -0.022337 -0.063090 -0.072774 -0.041521 11H 3s -0.004268 -0.006851 -0.016324 -0.074513 0.035655 -0.014332 11H 1pz 0.014292 -0.009368 0.002011 0.013629 -0.004334 -0.014113 11H 1px 0.017994 -0.014172 -0.003584 -0.012048 -0.021518 -0.012904 11H 1py -0.016242 0.011485 0.002770 0.011916 0.011949 0.010509 12H 1s -0.020604 0.014719 0.008245 0.025566 0.006949 -0.031606 12H 2s -0.046497 0.035716 0.005833 0.000920 -0.000066 -0.052180 12H 3s -0.022607 0.017452 -0.029737 -0.094429 -0.000192 -0.020914 12H 1pz 0.009876 -0.007218 0.002523 0.004793 0.003704 0.010461 12H 1px -0.008649 0.005775 -0.001313 -0.005421 -0.009995 -0.015456 12H 1py -0.019063 0.014974 0.009464 0.024320 0.009166 -0.022205 13H 1s 0.015655 -0.000782 -0.057212 0.021537 0.030983 0.013138 13H 2s 0.023898 -0.018995 -0.100145 0.043991 0.068624 -0.024871 13H 3s -0.046040 -0.010538 0.117283 -0.040565 -0.046594 0.038291 13H 1pz 0.011616 -0.006399 -0.039232 0.015348 0.021658 -0.010576 13H 1px -0.008728 0.002301 0.033144 -0.012932 -0.017093 -0.005502 13H 1py -0.003089 0.000571 0.011655 -0.005836 -0.003670 0.007912 14H 1s 0.015886 -0.008826 -0.034786 0.009890 0.010425 -0.025732 14H 2s 0.019272 -0.033325 -0.035084 0.015116 0.021755 -0.035806 14H 3s -0.041226 -0.016908 0.094647 -0.032316 -0.012003 -0.038948 14H 1pz 0.010749 -0.007714 -0.028642 0.011270 0.017001 -0.002106 14H 1px 0.011273 -0.011297 -0.018880 0.006008 0.001661 -0.020432 14H 1py 0.003091 -0.003419 -0.000630 -0.000980 0.000231 -0.008266 15H 1s -0.009319 0.021047 -0.001253 -0.001729 -0.016206 -0.016121 15H 2s -0.025930 0.028433 0.075462 -0.029408 -0.098139 -0.037858 15H 3s -0.041242 0.005363 0.066878 -0.014725 0.045167 -0.018485 15H 1pz 0.009007 -0.012136 -0.021622 0.006910 0.026587 0.011616 15H 1px -0.001790 0.003269 0.003851 -0.001962 -0.010212 0.000099 15H 1py 0.001720 -0.010869 0.006682 0.000259 0.016220 0.013945 16H 1s 0.004645 -0.001287 -0.002222 -0.003525 0.011275 -0.001010 16H 2s 0.015372 0.001041 0.019384 0.034012 -0.011445 0.012028 16H 3s -0.007034 0.001787 -0.000982 -0.022211 0.003745 -0.031783 16H 1pz -0.001002 0.000144 0.006766 -0.005937 0.000676 0.004430 16H 1px 0.002745 0.002418 0.004423 0.030312 -0.004853 -0.005157 16H 1py 0.021547 -0.001449 -0.007275 0.018709 0.003967 0.001533 17H 1s -0.000939 -0.000579 -0.003449 0.000375 0.011793 -0.002174 17H 2s -0.047016 0.009545 0.038000 -0.003732 -0.013856 0.009067 17H 3s 0.008786 0.004091 -0.014780 0.005139 0.001907 -0.030384 17H 1pz 0.007548 -0.001013 -0.013711 0.001152 0.001052 -0.001016 17H 1px -0.005960 0.001399 0.017082 -0.022350 -0.002171 -0.003265 17H 1py -0.023816 0.004801 0.009952 -0.017354 0.002175 0.000524 18H 1s 0.000993 -0.000562 0.003348 -0.000365 0.011799 0.002246 18H 2s 0.046572 0.009361 -0.037448 0.003720 -0.014380 -0.008579 18H 3s -0.008861 0.004519 0.014467 -0.005425 0.001932 0.030295 18H 1pz 0.008059 0.000980 -0.013714 0.001601 -0.001052 -0.001077 18H 1px -0.005943 -0.001316 0.016691 -0.022972 0.002058 -0.003100 18H 1py -0.023606 -0.004819 0.009450 -0.017693 -0.002021 0.000289 19H 1s -0.004563 -0.001239 0.002237 0.003614 0.011299 0.000860 19H 2s -0.015199 0.000924 -0.019561 -0.034289 -0.011302 -0.012039 19H 3s 0.006788 0.001166 0.001381 0.022143 0.003658 0.031931 19H 1pz -0.001436 -0.000162 0.006594 -0.006206 -0.000563 0.004342 19H 1px 0.002329 -0.002617 0.005268 0.030157 0.005007 -0.005263 19H 1py 0.021328 0.001495 -0.006696 0.019002 -0.004093 0.001863 20H 1s 0.009042 0.020947 0.001623 0.001709 -0.015921 0.016581 20H 2s 0.025637 0.028476 -0.074403 0.029360 -0.096790 0.038815 20H 3s 0.041202 0.005611 -0.067358 0.014531 0.044721 0.018618 20H 1pz 0.008882 0.012170 -0.021278 0.006865 -0.026257 0.011984 20H 1px -0.001857 -0.003377 0.004083 -0.002082 0.010531 -0.000197 20H 1py 0.001561 0.010802 0.007082 0.000259 -0.015728 0.014237 21H 1s -0.015861 -0.009034 0.034303 -0.009709 0.010041 0.025899 21H 2s -0.018979 -0.033391 0.033572 -0.014659 0.020338 0.036840 21H 3s 0.041221 -0.016758 -0.094353 0.032046 -0.011027 0.038564 21H 1pz 0.010772 0.007786 -0.028594 0.011235 -0.016796 -0.002591 21H 1px 0.011169 0.011366 -0.018252 0.005794 -0.001148 -0.020691 21H 1py 0.003051 0.003493 -0.000370 -0.001049 -0.000054 -0.008286 22H 1s -0.015574 -0.000714 0.057512 -0.021531 0.031069 -0.012889 22H 2s -0.023701 -0.018532 0.100763 -0.044039 0.068922 0.025865 22H 3s 0.046110 -0.010281 -0.117620 0.040294 -0.047013 -0.038587 22H 1pz 0.011472 0.006295 -0.038994 0.015191 -0.021484 -0.010811 22H 1px -0.008713 -0.002213 0.033621 -0.013030 0.017344 -0.005176 22H 1py -0.003181 -0.000546 0.011989 -0.005925 0.003885 0.008192 23H 1s 0.021119 0.015142 -0.007931 -0.024637 0.006226 0.031642 23H 2s 0.046585 0.035584 -0.004631 0.002287 -0.002839 0.052934 23H 3s 0.022781 0.016948 0.029687 0.093765 0.001233 0.020935 23H 1pz 0.010140 0.007350 0.002737 0.005352 -0.004120 0.010433 23H 1px -0.008529 -0.005676 -0.001567 -0.006056 0.010437 -0.015082 23H 1py -0.019283 -0.015129 0.009107 0.023302 -0.008231 -0.022764 24H 1s -0.033569 -0.023186 -0.002285 -0.006533 -0.009213 0.022193 24H 2s -0.040142 -0.036435 0.021871 0.060669 -0.069807 0.043154 24H 3s 0.004360 -0.007370 0.016859 0.075451 0.034211 0.014791 24H 1pz 0.014262 0.009202 0.002142 0.014268 0.003452 -0.014288 24H 1px 0.018327 0.014325 -0.003525 -0.011711 0.021205 -0.013844 24H 1py -0.016080 -0.011293 0.002526 0.011092 -0.011066 0.010647 25H 1s -0.000452 0.002835 -0.019917 -0.061596 0.030606 -0.006194 25H 2s 0.014878 0.018823 -0.035730 -0.104559 0.068681 0.041990 25H 3s 0.018646 0.005989 0.036787 0.123408 -0.052454 -0.053008 25H 1pz -0.000916 -0.001690 0.008233 0.023437 -0.010488 -0.015370 25H 1px 0.003415 0.005621 -0.015591 -0.047326 0.024410 0.005800 25H 1py -0.004817 -0.004913 0.003133 0.010277 -0.005950 -0.012575 26O 1s 0.000369 0.000053 0.002527 0.008144 0.006442 -0.003701 26O 2s 0.001281 0.000128 0.007780 0.025061 0.020601 -0.011364 26O 3s -0.013030 0.001119 -0.053977 -0.172922 -0.183452 0.096723 26O 4s 0.032336 -0.010390 0.043138 0.139242 0.345214 -0.213338 26O 5s -0.024790 -0.026434 -0.106747 -0.498663 -0.460030 -0.155144 26O 1pz 0.015487 -0.012167 -0.006021 -0.019392 -0.005833 0.022570 26O 1px 0.011811 -0.006339 0.018578 0.057076 0.061230 -0.048731 26O 1py -0.026958 0.019554 0.004369 0.008303 0.019730 -0.004252 26O 2pz -0.039260 0.035872 0.024088 0.082013 0.033899 -0.046767 26O 2px -0.031638 0.026050 0.014381 0.072035 -0.092884 0.146180 26O 2py 0.066656 -0.046631 0.016821 0.079201 -0.015947 0.026609 26O 3pz 0.005466 -0.020201 -0.052421 -0.117759 -0.187338 -0.187190 26O 3px 0.010650 -0.003928 0.001817 0.107689 0.064692 -0.039350 26O 3py -0.050448 0.034636 0.011220 -0.055860 -0.094084 -0.131406 26O 1dz2 -0.046685 0.024926 -0.000454 -0.009053 -0.024434 0.026350 26O 1dxz 0.035447 -0.037157 -0.000690 -0.035033 -0.039349 0.007325 26O 1dyz 0.051458 -0.033748 0.020984 0.053553 0.011396 0.017216 26O 1dx2y2 0.038858 -0.040897 0.034386 0.066073 0.068058 -0.027412 26O 1dxy -0.086052 0.072578 0.005378 0.057680 0.032743 -0.014117 26O 2dz2 -0.002856 0.003342 0.011995 0.052325 0.006418 0.001475 26O 2dxz 0.005923 -0.006594 -0.005355 -0.013137 -0.003243 -0.005715 26O 2dyz 0.005190 -0.003808 0.004962 0.012584 0.002956 0.010012 26O 2dx2y2 0.003289 -0.005887 -0.015068 -0.050330 -0.004642 0.009747 26O 2dxy -0.004961 0.003293 -0.012892 -0.047208 -0.003457 0.007470 26O 1f0 0.041718 -0.054205 0.019299 -0.041555 -0.043266 -0.048481 26O 1f+1 0.254366 -0.212437 -0.022780 -0.185306 -0.080908 -0.070637 26O 1f-1 0.044226 -0.026702 -0.016152 -0.047410 -0.059681 -0.154486 26O 1f+2 0.025381 -0.024656 0.102121 0.278865 0.227356 0.227922 26O 1f-2 -0.244240 0.184371 -0.107508 -0.248408 -0.169606 -0.151059 26O 1f+3 0.101185 -0.094012 0.054409 0.087897 0.098266 0.053897 26O 1f-3 -0.288428 0.234486 -0.007353 0.122018 0.103362 0.060310 27O 1s 0.000980 0.000136 -0.008261 0.002596 0.006385 -0.003420 27O 2s 0.003278 0.000481 -0.025331 0.008052 0.020365 -0.010612 27O 3s -0.026263 -0.005644 0.173777 -0.057653 -0.180128 0.093983 27O 4s 0.044863 0.017735 -0.145120 0.060444 0.335016 -0.222827 27O 5s -0.134838 0.013804 0.469278 -0.125665 -0.470809 -0.171192 27O 1pz 0.006137 -0.016195 0.018579 -0.003804 -0.010601 0.018995 27O 1px 0.006351 -0.000479 -0.060654 0.019136 0.060860 -0.045824 27O 1py 0.007401 -0.011066 -0.012919 0.005349 -0.000277 -0.015892 27O 2pz -0.013794 0.043620 -0.039353 0.008810 0.031915 -0.043805 27O 2px 0.007083 -0.003778 -0.071867 0.014765 -0.081208 0.157855 27O 2py -0.027970 0.030501 0.087971 -0.031978 -0.029245 0.024467 27O 3pz -0.021796 -0.026998 0.081386 0.004348 -0.132301 -0.121202 27O 3px -0.001506 -0.002323 -0.099095 -0.002845 0.031416 -0.078065 27O 3py 0.060503 -0.017250 -0.066713 0.064423 0.182420 0.193012 27O 1dz2 -0.025513 0.034421 0.063095 -0.019456 -0.041688 0.005929 27O 1dxz 0.024408 -0.062240 0.020786 -0.022326 -0.038287 0.007696 27O 1dyz -0.009429 0.003880 0.065263 -0.016771 -0.027359 -0.019877 27O 1dx2y2 -0.000316 -0.005953 -0.060080 0.012364 0.058763 -0.034871 27O 1dxy 0.020808 -0.047055 0.002700 -0.009275 0.015636 -0.003278 27O 2dz2 0.002035 0.002240 -0.037483 0.012181 0.004868 -0.005215 27O 2dxz 0.002950 -0.006231 -0.009500 0.002846 -0.000135 -0.005853 27O 2dyz -0.001542 -0.000104 0.017604 -0.007555 -0.006137 -0.013657 27O 2dx2y2 -0.007287 0.000724 0.072101 -0.017423 -0.008487 -0.000193 27O 2dxy 0.003664 -0.003207 -0.026706 0.009535 0.007058 0.001386 27O 1f0 -0.000364 -0.038901 0.063820 -0.035973 -0.045759 0.020001 27O 1f+1 0.108376 -0.232056 -0.114379 -0.006853 0.096422 0.082007 27O 1f-1 0.009772 -0.029222 0.079525 -0.008756 -0.046400 -0.022874 27O 1f+2 -0.071985 0.126177 -0.073536 0.057851 0.135683 0.191423 27O 1f-2 0.013780 0.045563 -0.364172 0.135880 0.294652 0.289782 27O 1f+3 -0.065713 0.078186 0.090651 -0.023627 -0.029855 -0.081616 27O 1f-3 0.070229 -0.150438 -0.049953 -0.019349 0.046008 0.073970 28O 1s 0.000263 0.000058 0.002608 0.008377 0.006381 0.003234 28O 2s 0.000876 0.000176 0.008020 0.025750 0.020357 0.009904 28O 3s -0.008183 -0.000125 -0.055466 -0.179914 -0.180755 -0.084749 28O 4s 0.023789 -0.009209 0.047305 0.175983 0.342525 0.193144 28O 5s -0.062438 -0.014827 -0.139156 -0.522765 -0.457796 0.098628 28O 1pz 0.015533 -0.011207 0.006014 0.017683 0.028353 0.007749 28O 1px 0.010757 -0.007335 -0.019782 -0.059169 -0.054085 -0.046080 28O 1py -0.027597 0.018753 -0.002895 -0.013234 -0.004276 -0.014447 28O 2pz -0.032651 0.033211 0.030621 0.102893 -0.017543 -0.040246 28O 2px -0.026985 0.012577 -0.002673 -0.018184 0.091024 0.134749 28O 2py 0.066411 -0.046055 0.015280 0.061075 0.027490 0.028405 28O 3pz 0.008225 -0.020606 -0.007049 0.004705 -0.132455 0.215063 28O 3px 0.005369 -0.015304 -0.047383 -0.120905 -0.118909 0.007576 28O 3py -0.048213 0.023254 0.018500 -0.068148 -0.128857 0.130044 28O 1dz2 0.016008 -0.026469 0.010696 -0.007741 -0.021861 -0.014744 28O 1dxz -0.049968 0.035933 -0.019157 -0.045712 -0.039364 -0.028458 28O 1dyz -0.028523 0.034873 0.008980 0.056217 0.012761 -0.022330 28O 1dx2y2 -0.064381 0.043711 0.019884 0.071855 0.064516 0.016996 28O 1dxy 0.087199 -0.070525 0.027288 0.039716 0.034077 -0.006786 28O 2dz2 -0.003052 0.000819 -0.002542 -0.001531 -0.001423 -0.003403 28O 2dxz -0.000341 0.003666 0.021659 0.073165 0.009441 0.004810 28O 2dyz -0.001259 0.002808 0.003561 0.003912 0.000749 -0.010149 28O 2dx2y2 -0.003997 0.001218 -0.013999 -0.040463 -0.002394 -0.008987 28O 2dxy 0.004472 -0.004127 0.005333 0.018281 0.006311 -0.009893 28O 1f0 0.172136 -0.157135 0.009854 -0.083554 -0.023244 0.034013 28O 1f+1 0.102853 -0.102228 0.014084 -0.065000 -0.056347 0.072204 28O 1f-1 -0.069008 0.036651 -0.085709 -0.259645 -0.231861 0.290622 28O 1f+2 -0.056864 0.032927 0.013217 0.009241 -0.015293 -0.040907 28O 1f-2 -0.124967 0.110362 0.024308 0.142464 0.062763 -0.015704 28O 1f+3 0.298877 -0.232374 -0.007158 -0.120056 -0.128127 0.125379 28O 1f-3 -0.232618 0.186300 -0.123757 -0.243671 -0.201610 0.162968 29O 1s -0.000026 0.000114 0.000002 0.000164 0.000800 -0.000218 29O 2s -0.000047 0.000330 -0.000005 0.000496 0.002302 -0.000779 29O 3s -0.000636 -0.002756 0.000587 -0.004617 -0.021202 0.009289 29O 4s 0.001096 0.005963 0.004315 0.016020 0.060102 -0.019028 29O 5s 0.020785 -0.014866 -0.047838 -0.050145 -0.120428 -0.004530 29O 1pz -0.002743 0.000090 -0.001189 0.001928 -0.003282 -0.001207 29O 1px -0.001908 0.000350 0.002199 0.001995 0.008284 -0.000028 29O 1py -0.000337 0.000932 0.002904 0.000146 -0.001378 -0.004063 29O 2pz 0.018128 -0.001699 0.004941 -0.007886 0.007825 0.005456 29O 2px 0.011604 -0.001994 -0.008559 -0.008941 -0.018393 -0.000894 29O 2py -0.002183 -0.001736 -0.007417 0.000717 0.004257 0.014693 29O 3pz 0.028448 -0.004686 -0.013556 0.048636 -0.020561 -0.012357 29O 3px 0.014663 -0.005127 -0.011134 0.029099 0.065029 0.023326 29O 3py -0.019608 0.007280 0.052816 0.015626 -0.000475 -0.015411 29O 1dz2 -0.005228 0.002051 0.006061 -0.003375 -0.015303 -0.001971 29O 1dxz 0.005357 0.000163 -0.001090 0.010321 -0.020515 -0.004545 29O 1dyz 0.003780 -0.001340 -0.000999 0.008559 -0.000138 -0.000623 29O 1dx2y2 0.003502 0.000750 -0.002785 0.003762 0.019609 0.006496 29O 1dxy 0.003298 -0.000185 -0.008000 -0.000653 0.004696 0.000195 29O 2dz2 -0.006334 0.000184 0.002108 -0.002129 0.000552 -0.001066 29O 2dxz 0.007448 -0.000896 -0.000430 0.005155 0.002610 0.000654 29O 2dyz -0.005760 0.000989 -0.002316 0.003227 -0.000384 -0.000745 29O 2dx2y2 0.002599 -0.001008 -0.002061 0.001088 -0.004451 -0.001970 29O 2dxy -0.005161 0.001215 0.003193 0.002412 0.000663 -0.000049 29O 1f0 0.030697 -0.000735 -0.001658 0.024480 -0.002251 -0.005353 29O 1f+1 -0.005222 -0.007425 0.006488 -0.050156 0.012115 0.009251 29O 1f-1 -0.000868 -0.003172 -0.013037 -0.002217 0.019204 0.002464 29O 1f+2 0.056091 -0.007535 -0.038851 0.066386 0.023711 0.006313 29O 1f-2 -0.009193 -0.000837 -0.006616 -0.031988 0.024492 0.005925 29O 1f+3 -0.022458 0.008873 0.007603 -0.036863 0.030868 0.006407 29O 1f-3 0.023827 -0.005062 -0.027122 0.014331 0.012316 0.007218 30O 1s 0.000974 0.000242 -0.007858 0.002768 0.006413 0.003802 30O 2s 0.003324 0.000816 -0.024124 0.008419 0.020417 0.011695 30O 3s -0.028315 -0.008631 0.163933 -0.056358 -0.179541 -0.099929 30O 4s 0.053134 0.024113 -0.128158 0.040691 0.334749 0.221048 30O 5s -0.138511 -0.009833 0.481545 -0.222573 -0.482143 0.116770 30O 1pz 0.009966 -0.014531 -0.018308 0.007060 0.026390 0.011828 30O 1px -0.002055 -0.004209 0.053430 -0.018261 -0.052454 -0.054768 30O 1py 0.007128 -0.012076 0.006211 -0.000423 -0.020822 -0.002313 30O 2pz -0.011771 0.036457 -0.070439 0.025887 -0.024351 -0.045484 30O 2px -0.004371 0.011463 0.022296 -0.014689 0.087256 0.153469 30O 2py -0.032262 0.034299 0.113145 -0.048086 0.001441 0.025579 30O 3pz -0.010604 -0.031446 0.012566 0.043465 -0.064500 0.125809 30O 3px -0.027172 -0.004311 0.131442 -0.063585 -0.158300 0.054556 30O 3py 0.049567 -0.011182 -0.032437 0.026000 0.135311 -0.211950 30O 1dz2 0.005978 -0.040386 0.043916 -0.028500 -0.037492 -0.002952 30O 1dxz -0.032289 0.059917 0.050719 -0.007760 -0.045102 -0.028906 30O 1dyz -0.004908 -0.000334 0.071482 -0.020292 -0.025982 0.007443 30O 1dx2y2 -0.003862 0.004313 -0.047154 0.012622 0.059706 0.026067 30O 1dxy -0.029427 0.046915 0.008500 0.006971 0.013090 0.027543 30O 2dz2 0.000522 -0.002350 -0.008443 0.007017 0.002359 0.006850 30O 2dxz 0.002500 0.004404 -0.051336 0.020531 0.006215 0.005411 30O 2dyz 0.001002 -0.002464 -0.019544 0.006873 0.001783 0.014355 30O 2dx2y2 -0.001902 -0.001763 0.021936 -0.007763 -0.001959 -0.004178 30O 2dxy -0.007617 0.004841 0.065449 -0.024124 -0.011454 0.002386 30O 1f0 0.064417 -0.128554 -0.213750 0.045795 0.182906 -0.201107 30O 1f+1 0.041059 -0.150079 0.168492 -0.095598 -0.137018 0.109120 30O 1f-1 0.012425 0.030417 -0.130500 0.056003 0.091907 -0.082571 30O 1f+2 -0.070091 0.172892 -0.085466 0.050789 0.054852 -0.126071 30O 1f-2 0.012811 -0.031058 0.092685 -0.029061 -0.064821 -0.015501 30O 1f+3 0.011375 -0.035197 0.201560 -0.052074 -0.179797 0.196492 30O 1f-3 0.124390 -0.181263 -0.232991 0.033225 0.105835 -0.096642 31O 1s -0.000972 0.000242 0.007870 -0.002765 0.006399 -0.003795 31O 2s -0.003316 0.000812 0.024162 -0.008407 0.020373 -0.011668 31O 3s 0.028224 -0.008578 -0.164203 0.056179 -0.179200 0.099577 31O 4s -0.052879 0.023881 0.128575 -0.040098 0.334300 -0.219867 31O 5s 0.137700 -0.010477 -0.484480 0.223440 -0.483429 -0.116891 31O 1pz 0.009829 0.014618 -0.018311 0.007080 -0.026339 0.011757 31O 1px -0.002009 0.004210 0.053469 -0.018225 0.052264 -0.054654 31O 1py 0.007142 0.012085 0.006195 -0.000361 0.020781 -0.002255 31O 2pz -0.011437 -0.036734 -0.070793 0.025958 0.024189 -0.045147 31O 2px -0.004556 -0.011375 0.022555 -0.015002 -0.086780 0.152927 31O 2py -0.032287 -0.034191 0.113495 -0.048414 -0.001348 0.025297 31O 3pz -0.010958 0.031359 0.012363 0.043558 0.064589 0.126211 31O 3px -0.026839 0.004548 0.131989 -0.063915 0.158768 0.054602 31O 3py 0.049730 0.011083 -0.032714 0.025966 -0.135880 -0.212796 31O 1dz2 -0.005886 -0.040550 -0.044060 0.028371 -0.037459 0.002890 31O 1dxz 0.031921 0.060111 -0.050765 0.007777 -0.045004 0.028799 31O 1dyz 0.004940 -0.000347 -0.071412 0.020302 -0.025852 -0.007430 31O 1dx2y2 0.003811 0.004361 0.047270 -0.012711 0.059649 -0.025977 31O 1dxy 0.029289 0.047058 -0.008398 -0.006913 0.013034 -0.027561 31O 2dz2 -0.000515 -0.002337 0.008444 -0.007016 0.002337 -0.006835 31O 2dxz -0.002551 0.004441 0.051492 -0.020588 0.006215 -0.005520 31O 2dyz -0.000971 -0.002452 0.019622 -0.006954 0.001752 -0.014441 31O 2dx2y2 0.001943 -0.001759 -0.022015 0.007793 -0.001985 0.004207 31O 2dxy 0.007651 0.004807 -0.065549 0.024209 -0.011420 -0.002298 31O 1f0 0.063918 0.128822 -0.213830 0.045994 -0.183220 -0.201356 31O 1f+1 0.040346 0.150710 0.168794 -0.095347 0.137082 0.109153 31O 1f-1 0.012599 -0.030402 -0.130585 0.055922 -0.091894 -0.082646 31O 1f+2 -0.069191 -0.173314 -0.085536 0.050449 -0.054842 -0.125929 31O 1f-2 0.012672 0.031238 0.092716 -0.029014 0.064651 -0.015482 31O 1f+3 0.011001 0.035398 0.201632 -0.052037 0.180010 0.196641 31O 1f-3 0.123631 0.181841 -0.232975 0.033460 -0.105933 -0.096926 32O 1s 0.000023 0.000112 0.000001 -0.000167 0.000803 0.000219 32O 2s 0.000037 0.000326 0.000013 -0.000504 0.002310 0.000783 32O 3s 0.000737 -0.002739 -0.000618 0.004604 -0.021308 -0.009320 32O 4s -0.001363 0.005969 -0.004339 -0.015766 0.060373 0.019092 32O 5s -0.020244 -0.014703 0.047490 0.050139 -0.120483 0.004184 32O 1pz -0.002694 -0.000016 -0.001175 0.001996 0.003257 -0.001214 32O 1px -0.001983 -0.000336 0.002235 0.001942 -0.008289 -0.000015 32O 1py -0.000439 -0.000944 0.002936 0.000124 0.001371 -0.004080 32O 2pz 0.018046 0.001567 0.004700 -0.008170 -0.007902 0.005515 32O 2px 0.011678 0.001935 -0.008659 -0.008917 0.018316 -0.000872 32O 2py -0.001575 0.001845 -0.007582 0.000882 -0.004188 0.014733 32O 3pz 0.028560 0.005132 -0.013522 0.048984 0.020156 -0.011811 32O 3px 0.014548 0.005157 -0.011199 0.029041 -0.065302 0.023600 32O 3py -0.018840 -0.007135 0.052571 0.016245 0.000566 -0.015685 32O 1dz2 0.005234 0.002058 -0.005955 0.003763 -0.015402 0.002026 32O 1dxz -0.005355 0.000166 0.000727 -0.010357 -0.020413 0.004482 32O 1dyz -0.003670 -0.001399 0.000675 -0.008582 -0.000470 0.000604 32O 1dx2y2 -0.003286 0.000759 0.002609 -0.003649 0.019616 -0.006507 32O 1dxy -0.003510 -0.000215 0.008084 0.000216 0.004610 -0.000196 32O 2dz2 0.006033 0.000160 -0.002223 0.002321 0.000511 0.001083 32O 2dxz -0.007577 -0.000904 0.000381 -0.005035 0.002636 -0.000745 32O 2dyz 0.005837 0.001016 0.002145 -0.003353 -0.000518 0.000927 32O 2dx2y2 -0.002787 -0.001044 0.002060 -0.001023 -0.004449 0.001954 32O 2dxy 0.004927 0.001169 -0.003197 -0.002552 0.000565 0.000126 32O 1f0 0.030239 0.000882 -0.000236 0.023892 0.002988 -0.004900 32O 1f+1 -0.004467 0.007778 0.005151 -0.049093 -0.011503 0.009428 32O 1f-1 0.002787 0.003447 -0.014482 0.001242 -0.020098 0.002403 32O 1f+2 0.056584 0.007572 -0.037699 0.068963 -0.022857 0.006471 32O 1f-2 -0.007672 0.001441 -0.007789 -0.031731 -0.024323 0.006051 32O 1f+3 -0.022972 -0.008845 0.007059 -0.038159 -0.031358 0.006484 32O 1f-3 0.022018 0.004626 -0.025832 0.012275 -0.012657 0.007243 33O 1s -0.000261 0.000091 -0.002604 -0.008365 0.006385 -0.003263 33O 2s -0.000864 0.000281 -0.008006 -0.025711 0.020367 -0.009991 33O 3s 0.007938 -0.000998 0.055240 0.179560 -0.180805 0.085352 33O 4s -0.022748 -0.007587 -0.046525 -0.175522 0.342627 -0.193684 33O 5s 0.062550 -0.016409 0.139281 0.521608 -0.458288 -0.093960 33O 1pz 0.015602 0.011158 0.005978 0.017731 -0.028347 0.007868 33O 1px 0.010757 0.007495 -0.019734 -0.059139 0.054153 -0.046319 33O 1py -0.027663 -0.018668 -0.002937 -0.013308 0.004287 -0.014407 33O 2pz -0.032504 -0.033252 0.030809 0.102278 0.017541 -0.039834 33O 2px -0.027270 -0.012686 -0.003053 -0.018200 -0.091041 0.134541 33O 2py 0.066591 0.045772 0.015451 0.061457 -0.027611 0.028458 33O 3pz 0.008912 0.020680 -0.006170 0.006762 0.132112 0.215697 33O 3px 0.005314 0.015409 -0.047584 -0.120961 0.119030 0.005935 33O 3py -0.048173 -0.022950 0.019274 -0.067107 0.128970 0.130547 33O 1dz2 -0.016142 -0.026472 -0.010678 0.007761 -0.022033 0.014794 33O 1dxz 0.050394 0.035978 0.019302 0.045855 -0.039424 0.028640 33O 1dyz 0.028655 0.035054 -0.008957 -0.055987 0.012829 0.022544 33O 1dx2y2 0.064493 0.043766 -0.019759 -0.071563 0.064472 -0.017519 33O 1dxy -0.087302 -0.070221 -0.027362 -0.040016 0.034185 0.006768 33O 2dz2 0.003115 0.000869 0.002501 0.001376 -0.001433 0.003359 33O 2dxz 0.000217 0.003794 -0.021774 -0.073075 0.009492 -0.005110 33O 2dyz 0.001299 0.002844 -0.003540 -0.003764 0.000730 0.010268 33O 2dx2y2 0.004055 0.001119 0.014118 0.040554 -0.002451 0.009149 33O 2dxy -0.004471 -0.004045 -0.005393 -0.018446 0.006365 0.009820 33O 1f0 0.173196 0.157630 0.010494 -0.081574 0.022293 0.033156 33O 1f+1 0.103230 0.102272 0.014297 -0.064532 0.056658 0.072022 33O 1f-1 -0.068388 -0.035207 -0.085345 -0.259149 0.232248 0.290372 33O 1f+2 -0.057797 -0.033691 0.013083 0.009389 0.015090 -0.041718 33O 1f-2 -0.125746 -0.111063 0.024187 0.142282 -0.063234 -0.016033 33O 1f+3 0.299798 0.232268 -0.006583 -0.118228 0.127770 0.124739 33O 1f-3 -0.232664 -0.184799 -0.123791 -0.244383 0.202144 0.162835 34O 1s -0.000980 0.000134 0.008268 -0.002593 0.006388 0.003429 34O 2s -0.003279 0.000474 0.025357 -0.008044 0.020375 0.010635 34O 3s 0.026274 -0.005611 -0.174019 0.057640 -0.180311 -0.094128 34O 4s -0.044994 0.017753 0.145516 -0.060666 0.335936 0.222892 34O 5s 0.132893 0.014100 -0.469177 0.125285 -0.470515 0.168806 34O 1pz 0.006048 0.016236 0.018648 -0.003724 0.010660 0.019012 34O 1px 0.006453 0.000515 -0.060778 0.019199 -0.060922 -0.045842 34O 1py 0.007361 0.011097 -0.012884 0.005360 0.000269 -0.015877 34O 2pz -0.013647 -0.043766 -0.039479 0.008528 -0.032055 -0.043835 34O 2px 0.006609 0.003799 -0.071536 0.014304 0.081778 0.157470 34O 2py -0.027791 -0.030586 0.087912 -0.031981 0.029168 0.024505 34O 3pz -0.021220 0.026980 0.081491 0.005054 0.132033 -0.121088 34O 3px -0.001231 0.002788 -0.099602 -0.002453 -0.031322 -0.079152 34O 3py 0.059803 0.016989 -0.066609 0.064488 -0.182088 0.193112 34O 1dz2 0.025280 0.034571 -0.063135 0.019420 -0.041603 -0.005907 34O 1dxz -0.024136 -0.062424 -0.021025 0.022177 -0.038386 -0.007745 34O 1dyz 0.009350 0.003932 -0.065303 0.016794 -0.027234 0.019846 34O 1dx2y2 0.000215 -0.006001 0.060098 -0.012421 0.058765 0.034985 34O 1dxy -0.020618 -0.047173 -0.002894 0.009174 0.015640 0.003301 34O 2dz2 -0.002039 0.002231 0.037463 -0.012127 0.004836 0.005288 34O 2dxz -0.002971 -0.006275 0.009528 -0.002888 -0.000157 0.005867 34O 2dyz 0.001527 -0.000092 -0.017662 0.007553 -0.006081 0.013658 34O 2dx2y2 0.007253 0.000784 -0.072106 0.017328 -0.008398 0.000049 34O 2dxy -0.003638 -0.003217 0.026667 -0.009537 0.007028 -0.001345 34O 1f0 -0.000627 0.038817 0.064148 -0.035905 0.045963 0.019946 34O 1f+1 0.107332 0.232979 -0.114189 -0.006425 -0.096024 0.081697 34O 1f-1 0.009560 0.029163 0.079944 -0.008846 0.046472 -0.022902 34O 1f+2 -0.071594 -0.126508 -0.074182 0.057695 -0.135312 0.191292 34O 1f-2 0.013505 -0.045563 -0.364825 0.135713 -0.293574 0.289337 34O 1f+3 -0.065136 -0.078394 0.090727 -0.023809 0.029628 -0.081691 34O 1f-3 0.069529 0.150973 -0.049671 -0.019058 -0.045696 0.073813 35O 1s -0.000363 0.000086 -0.002523 -0.008134 0.006450 0.003678 35O 2s -0.001258 0.000236 -0.007766 -0.025031 0.020624 0.011290 35O 3s 0.012649 0.000220 0.053777 0.172660 -0.183639 -0.096036 35O 4s -0.030850 -0.008894 -0.042414 -0.138574 0.345483 0.212043 35O 5s 0.025299 -0.027483 0.106891 0.497365 -0.459624 0.156902 35O 1pz 0.015542 0.012252 -0.006044 -0.019357 0.005830 0.022492 35O 1px 0.011776 0.006126 0.018495 0.056981 -0.061337 -0.048568 35O 1py -0.027058 -0.019524 0.004294 0.008098 -0.019728 -0.004230 35O 2pz -0.039311 -0.036112 0.024134 0.081785 -0.033788 -0.046418 35O 2px -0.031024 -0.025883 0.014840 0.072184 0.093126 0.145904 35O 2py 0.067167 0.046405 0.017212 0.079928 0.015846 0.026650 35O 3pz 0.005473 0.020642 -0.052280 -0.118350 0.187103 -0.187861 35O 3px 0.010681 0.003773 0.001953 0.106921 -0.064881 -0.038824 35O 3py -0.050282 -0.034198 0.011039 -0.056807 0.094339 -0.132372 35O 1dz2 0.046925 0.025005 0.000532 0.009294 -0.024687 -0.026207 35O 1dxz -0.035751 -0.037330 0.000551 0.034841 -0.039421 -0.007075 35O 1dyz -0.051593 -0.033409 -0.021074 -0.053851 0.011539 -0.017465 35O 1dx2y2 -0.038946 -0.040709 -0.034381 -0.066154 0.068169 0.027310 35O 1dxy 0.086183 0.072576 -0.005295 -0.057240 0.032694 0.014071 35O 2dz2 0.002765 0.003470 -0.012078 -0.052326 0.006439 -0.001461 35O 2dxz -0.005890 -0.006595 0.005307 0.012985 -0.003177 0.005811 35O 2dyz -0.005178 -0.003694 -0.005026 -0.012720 0.003009 -0.010096 35O 2dx2y2 -0.003201 -0.005996 0.015132 0.050219 -0.004658 -0.009693 35O 2dxy 0.005126 0.003237 0.013000 0.047317 -0.003493 -0.007505 35O 1f0 0.041973 0.054355 0.019546 -0.041158 0.043152 -0.048383 35O 1f+1 0.255905 0.213639 -0.021886 -0.183422 0.080042 -0.070439 35O 1f-1 0.044438 0.026933 -0.015933 -0.046990 0.059316 -0.154717 35O 1f+2 0.024619 0.023036 0.102268 0.279683 -0.228154 0.229911 35O 1f-2 -0.244151 -0.182583 -0.107828 -0.249769 0.170286 -0.152077 35O 1f+3 0.101290 0.093506 0.054350 0.088066 -0.098163 0.054187 35O 1f-3 -0.289332 -0.234564 -0.008019 0.120209 -0.102851 0.060259 654 655 656 657 658 659 5.58220 5.60439 5.70412 5.70587 5.78370 5.81782 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s -0.000006 -0.000017 0.000012 0.000079 -0.001640 0.000050 0Rh 2s 0.000052 0.000276 -0.000191 -0.000464 0.017979 -0.000553 0Rh 3s -0.000005 0.000063 -0.000041 0.000202 0.000722 -0.000026 0Rh 4s -0.000315 -0.001608 0.001128 0.002966 -0.108585 0.003340 0Rh 5s 0.000862 0.004402 -0.003209 -0.007954 0.300074 -0.009244 0Rh 6s -0.001162 -0.006119 0.004911 0.009447 -0.410638 0.012683 0Rh 7s 0.002497 0.015951 0.004653 0.005243 1.029188 -0.028744 0Rh 8s 0.000289 0.008085 0.004015 0.023742 0.015515 -0.004005 0Rh 1pz 0.000776 -0.000737 -0.054827 0.002547 -0.000243 -0.001842 0Rh 1px 0.000458 -0.000211 -0.016957 0.008075 -0.005276 -0.000328 0Rh 1py 0.000861 -0.001195 -0.004469 -0.057149 -0.002350 -0.001450 0Rh 2pz -0.003217 0.003071 0.227014 -0.010538 0.000848 0.007668 0Rh 2px -0.001893 0.000879 0.070185 -0.033472 0.022481 0.001346 0Rh 2py -0.003559 0.004947 0.018495 0.236629 0.009870 0.006018 0Rh 3pz 0.010239 -0.010064 -0.716342 0.032963 0.000906 -0.024845 0Rh 3px 0.005961 -0.002857 -0.220884 0.106503 -0.084485 -0.003973 0Rh 3py 0.011171 -0.015690 -0.058190 -0.746578 -0.034037 -0.019135 0Rh 4pz -0.013164 0.013442 0.890366 -0.039567 -0.014236 0.032371 0Rh 4px -0.007450 0.003695 0.272245 -0.135881 0.151258 0.003894 0Rh 4py -0.013836 0.020040 0.071668 0.927340 0.051742 0.023558 0Rh 5pz 0.008065 -0.007799 -0.460971 0.015314 0.039706 -0.018454 0Rh 5px 0.004032 -0.001839 -0.133502 0.081127 -0.182011 0.000393 0Rh 5py 0.007167 -0.012325 -0.035379 -0.477745 -0.044581 -0.009847 0Rh 6pz -0.004168 -0.000418 0.569173 0.049924 -0.159749 0.007759 0Rh 6px -0.001131 -0.005013 0.073738 -0.207096 0.379487 -0.007461 0Rh 6py 0.002767 0.039924 0.030923 0.553818 -0.054245 0.000556 0Rh 1dz2 -0.004850 0.013794 0.000384 -0.000834 0.000177 0.004966 0Rh 1dxz 0.000660 -0.000790 -0.001968 -0.000652 0.000275 -0.000568 0Rh 1dyz -0.011100 0.032905 -0.000384 -0.000169 0.000430 0.011403 0Rh 1dx2y2 -0.001510 0.004768 -0.000034 0.001137 0.000035 0.001573 0Rh 1dxy -0.004401 0.013123 -0.000221 -0.001600 0.000108 0.004559 0Rh 2dz2 0.003166 -0.007055 0.000747 0.000261 -0.001902 -0.004239 0Rh 2dxz -0.000305 0.000529 -0.001108 -0.000064 -0.002237 0.000544 0Rh 2dyz 0.007729 -0.017232 -0.000322 0.000894 -0.000777 -0.010343 0Rh 2dx2y2 0.001143 -0.002397 -0.000565 0.000664 0.003335 -0.001619 0Rh 2dxy 0.002980 -0.006733 -0.000253 -0.001178 0.001246 -0.004058 0Rh 3dz2 0.008813 -0.034174 -0.005353 0.002930 0.008394 -0.004636 0Rh 3dxz -0.001823 0.001354 0.014965 0.003607 0.009538 0.000260 0Rh 3dyz 0.017862 -0.079624 0.003451 -0.003395 0.001616 -0.007649 0Rh 3dx2y2 0.001994 -0.012020 0.002781 -0.008835 -0.016468 -0.000120 0Rh 3dxy 0.007486 -0.032460 0.002296 0.013398 -0.006621 -0.003433 0Rh 4dz2 -0.004150 0.037286 0.012788 -0.005435 -0.027951 -0.011127 0Rh 4dxz 0.002708 -0.000155 -0.034547 -0.008712 -0.031953 0.001920 0Rh 4dyz -0.002248 0.083231 -0.008749 0.010556 -0.007533 -0.035544 0Rh 4dx2y2 0.001085 0.013478 -0.007220 0.021820 0.052740 -0.007961 0Rh 4dxy -0.002141 0.035655 -0.005715 -0.030569 0.020590 -0.012972 0Rh 5dz2 -0.063559 0.102640 -0.013246 0.006461 0.083502 0.131039 0Rh 5dxz 0.000627 -0.013112 0.045582 0.020787 0.095035 -0.014862 0Rh 5dyz -0.169296 0.260830 0.017095 -0.023994 0.029566 0.335904 0Rh 5dx2y2 -0.027845 0.034718 0.009506 -0.042748 -0.150965 0.056278 0Rh 5dxy -0.063888 0.094536 0.009729 0.032702 -0.054079 0.129771 0Rh 1f0 0.000667 0.001037 -0.000944 0.001999 0.000008 0.002424 0Rh 1f+1 -0.000571 -0.001295 -0.000403 0.000971 -0.000757 -0.003882 0Rh 1f-1 0.001197 0.001243 0.003632 0.003359 -0.002229 0.003355 0Rh 1f+2 0.000257 0.001346 -0.002350 0.001971 0.000319 0.002708 0Rh 1f-2 -0.001728 -0.003412 -0.000453 0.002038 -0.000953 -0.008350 0Rh 1f+3 0.000216 0.000190 0.001806 0.000054 -0.001062 0.001139 0Rh 1f-3 0.001136 0.001906 -0.000266 -0.000174 0.000209 0.004109 1Rh 1s -0.000009 0.000016 -0.000011 -0.000075 -0.001638 0.000049 1Rh 2s 0.000094 -0.000267 0.000186 0.000434 0.017970 -0.000547 1Rh 3s 0.000001 -0.000063 0.000041 -0.000195 0.000727 -0.000026 1Rh 4s -0.000563 0.001558 -0.001101 -0.002780 -0.108526 0.003303 1Rh 5s 0.001533 -0.004269 0.003143 0.007467 0.299920 -0.009141 1Rh 6s -0.002063 0.005948 -0.004875 -0.008908 -0.410487 0.012544 1Rh 7s 0.004682 -0.015991 -0.003472 -0.005850 1.028699 -0.028500 1Rh 8s 0.000008 -0.008099 -0.005442 -0.023911 0.015697 -0.003925 1Rh 1pz -0.000733 -0.000655 -0.054874 0.002532 0.000211 0.001755 1Rh 1px -0.000449 -0.000169 -0.016858 0.008190 0.005326 0.000352 1Rh 1py -0.000883 -0.001085 -0.004480 -0.057130 0.002311 0.001445 1Rh 2pz 0.003037 0.002731 0.227205 -0.010475 -0.000717 -0.007306 1Rh 2px 0.001858 0.000706 0.069775 -0.033951 -0.022686 -0.001446 1Rh 2py 0.003653 0.004497 0.018542 0.236546 -0.009710 -0.005998 1Rh 3pz -0.009672 -0.009001 -0.716921 0.032773 -0.001322 0.023684 1Rh 3px -0.005844 -0.002310 -0.219586 0.108020 0.085144 0.004298 1Rh 3py -0.011472 -0.014324 -0.058337 -0.746298 0.033531 0.019082 1Rh 4pz 0.012465 0.012128 0.891028 -0.039356 0.014749 -0.030890 1Rh 4px 0.007279 0.003010 0.270607 -0.137784 -0.152104 -0.004325 1Rh 4py 0.014228 0.018485 0.071848 0.926953 -0.051117 -0.023506 1Rh 5pz -0.007722 -0.007099 -0.461256 0.015235 -0.039943 0.017662 1Rh 5px -0.003862 -0.001529 -0.132533 0.082093 0.182488 -0.000133 1Rh 5py -0.007426 -0.011785 -0.035482 -0.477472 0.044308 0.009826 1Rh 6pz 0.003799 -0.001677 0.571416 0.052931 0.161364 -0.007174 1Rh 6px 0.000565 -0.004260 0.072568 -0.205409 -0.379907 0.007382 1Rh 6py -0.001827 0.038615 0.032820 0.551823 0.052990 -0.000226 1Rh 1dz2 -0.004825 -0.013812 -0.000390 0.000837 0.000181 0.004970 1Rh 1dxz 0.000692 0.000787 0.001965 0.000641 0.000285 -0.000565 1Rh 1dyz -0.011090 -0.032937 0.000382 0.000177 0.000455 0.011427 1Rh 1dx2y2 -0.001558 -0.004747 0.000022 -0.001121 0.000032 0.001570 1Rh 1dxy -0.004386 -0.013140 0.000233 0.001598 0.000094 0.004540 1Rh 2dz2 0.003152 0.007052 -0.000746 -0.000260 -0.001905 -0.004236 1Rh 2dxz -0.000322 -0.000534 0.001111 0.000065 -0.002238 0.000548 1Rh 2dyz 0.007722 0.017241 0.000326 -0.000889 -0.000785 -0.010352 1Rh 2dx2y2 0.001163 0.002395 0.000567 -0.000667 0.003336 -0.001619 1Rh 2dxy 0.002981 0.006735 0.000254 0.001181 0.001249 -0.004052 1Rh 3dz2 0.008755 0.034274 0.005379 -0.002951 0.008389 -0.004669 1Rh 3dxz -0.001895 -0.001312 -0.014963 -0.003555 0.009488 0.000226 1Rh 3dyz 0.017839 0.079735 -0.003461 0.003330 0.001530 -0.007733 1Rh 3dx2y2 0.002134 0.011925 -0.002733 0.008765 -0.016462 -0.000107 1Rh 3dxy 0.007407 0.032537 -0.002364 -0.013407 -0.006567 -0.003366 1Rh 4dz2 -0.004090 -0.037518 -0.012827 0.005492 -0.027952 -0.011040 1Rh 4dxz 0.002780 0.000037 0.034561 0.008595 -0.031836 0.002020 1Rh 4dyz -0.002230 -0.083426 0.008794 -0.010378 -0.007378 -0.035381 1Rh 4dx2y2 0.000882 -0.013282 0.007121 -0.021669 0.052730 -0.007995 1Rh 4dxy -0.001962 -0.035821 0.005871 0.030615 0.020473 -0.013100 1Rh 5dz2 -0.063405 -0.102147 0.013159 -0.006717 0.083574 0.130755 1Rh 5dxz 0.000814 0.013444 -0.045695 -0.020588 0.094735 -0.015135 1Rh 5dyz -0.169170 -0.260626 -0.017289 0.023469 0.029430 0.335491 1Rh 5dx2y2 -0.027844 -0.035016 -0.009357 0.042523 -0.150967 0.056325 1Rh 5dxy -0.064209 -0.094248 -0.009990 -0.032912 -0.053799 0.129921 1Rh 1f0 -0.000676 0.001009 -0.000958 0.001994 -0.000014 -0.002409 1Rh 1f+1 0.000585 -0.001298 -0.000374 0.000974 0.000747 0.003868 1Rh 1f-1 -0.001191 0.001221 0.003674 0.003395 0.002249 -0.003370 1Rh 1f+2 -0.000234 0.001335 -0.002353 0.001915 -0.000375 -0.002733 1Rh 1f-2 0.001743 -0.003411 -0.000458 0.002020 0.000886 0.008308 1Rh 1f+3 -0.000193 0.000192 0.001850 0.000080 0.001086 -0.001159 1Rh 1f-3 -0.001154 0.001869 -0.000239 -0.000159 -0.000214 -0.004113 2C 1s -0.005975 -0.001362 -0.001154 -0.000750 0.002038 0.001812 2C 2s -0.011119 -0.001579 0.002272 0.001283 0.001937 0.001502 2C 3s -0.031832 -0.019573 -0.080497 -0.049848 -0.070596 -0.010577 2C 4s 0.563939 0.093872 -0.003342 0.011395 0.630329 0.342571 2C 5s -0.904660 0.139440 0.538251 0.319231 -0.435368 -1.131731 2C 1pz 0.037878 0.008218 -0.017073 -0.009093 -0.011022 -0.002526 2C 1px 0.004220 -0.026121 -0.004649 -0.002093 0.000226 0.002853 2C 1py 0.026761 -0.004923 -0.010751 -0.008009 -0.008767 -0.003089 2C 2pz 0.316722 -0.132330 -0.080562 -0.058800 0.357480 0.214711 2C 2px 0.137608 0.247812 0.033544 0.009280 -0.002624 -0.036263 2C 2py 0.175042 0.013026 -0.056834 -0.015334 0.265218 0.166516 2C 3pz -0.198337 0.027527 0.132856 0.099754 -0.080191 -0.255216 2C 3px -0.070108 0.000957 0.013202 0.015927 0.031784 -0.008416 2C 3py -0.122420 0.016795 0.104995 0.030550 -0.065631 -0.169424 2C 1dz2 0.040980 -0.024857 0.015497 0.008740 -0.009847 -0.015400 2C 1dxz 0.017362 0.036656 0.008911 0.005752 -0.007118 -0.009651 2C 1dyz 0.061288 -0.006551 0.021359 0.013418 -0.011524 -0.023801 2C 1dx2y2 -0.020807 0.002000 -0.010608 -0.006366 0.011384 0.014030 2C 1dxy 0.011969 0.027475 0.003353 -0.001228 0.000404 -0.002355 2C 2dz2 0.058373 -0.119159 -0.001341 0.002362 0.061414 0.037911 2C 2dxz -0.013051 0.154479 -0.076547 -0.044932 0.138798 0.112902 2C 2dyz 0.119300 -0.038081 0.035285 0.018795 0.040448 0.011755 2C 2dx2y2 -0.001849 0.019652 0.020142 0.013920 -0.061032 -0.046844 2C 2dxy 0.036970 0.119704 -0.015895 -0.015538 0.026347 0.014666 2C 1f0 0.011653 -0.065691 0.030577 0.021443 -0.023317 -0.023762 2C 1f+1 0.021362 0.061647 0.060949 0.034739 -0.058109 -0.058373 2C 1f-1 0.033787 -0.025826 0.043514 0.025902 -0.011928 -0.020216 2C 1f+2 -0.033684 0.010313 -0.067826 -0.042324 0.052698 0.056725 2C 1f-2 0.016777 0.112952 0.021589 0.011981 -0.000922 -0.009236 2C 1f+3 -0.007006 0.015397 -0.008582 -0.004679 0.008822 0.009223 2C 1f-3 0.013054 -0.035993 0.045733 0.026468 -0.050918 -0.048133 3C 1s 0.005949 0.000627 -0.000775 0.001094 0.001974 -0.001930 3C 2s 0.011107 0.000566 0.001221 -0.002364 0.001922 -0.001610 3C 3s 0.031770 0.006608 -0.049887 0.079821 -0.067626 0.014498 3C 4s -0.562419 -0.002178 0.006516 0.007554 0.602026 -0.387789 3C 5s 0.906061 -0.165332 0.307763 -0.538459 -0.373864 1.159134 3C 1pz -0.025814 -0.007177 -0.006887 0.009690 -0.009647 0.005795 3C 1px -0.013116 0.025992 -0.004989 0.005467 -0.001717 -0.001047 3C 1py 0.036304 0.002971 0.008885 -0.017444 0.009844 -0.001952 3C 2pz -0.099536 0.121883 -0.028172 0.065469 0.278238 -0.222689 3C 2px -0.149212 -0.225412 0.003310 0.011821 0.077931 -0.040563 3C 2py 0.347192 -0.118005 0.066889 -0.068916 -0.327219 0.217807 3C 3pz 0.088404 -0.021068 0.023165 -0.097331 -0.072074 0.179735 3C 3px 0.094177 -0.008275 0.025482 -0.051333 -0.008094 0.066139 3C 3py -0.207260 0.032202 -0.096599 0.129304 0.051755 -0.248597 3C 1dz2 0.010153 0.011079 0.001917 0.002102 -0.003121 0.001387 3C 1dxz -0.021722 -0.017929 0.004284 -0.010120 -0.007613 0.012096 3C 1dyz 0.056028 -0.023765 -0.009868 0.017849 0.008761 -0.021108 3C 1dx2y2 0.039137 -0.025755 -0.012006 0.017237 0.011812 -0.019146 3C 1dxy 0.032981 0.031013 -0.007305 0.013115 0.005945 -0.014191 3C 2dz2 0.036400 0.049506 0.014385 -0.024213 -0.027175 0.020573 3C 2dxz -0.013664 -0.071596 -0.021752 0.025999 0.066383 -0.057088 3C 2dyz 0.133511 -0.103414 -0.028116 0.060825 0.009316 -0.035003 3C 2dx2y2 0.025810 -0.117212 0.016080 -0.024182 -0.111953 0.092815 3C 2dxy 0.030671 0.139190 0.020982 -0.040010 -0.094951 0.086989 3C 1f0 0.005314 -0.008324 0.001369 -0.003140 -0.023263 0.020100 3C 1f+1 -0.013905 0.023931 0.021841 -0.037784 -0.039111 0.043466 3C 1f-1 0.005317 -0.047074 -0.000400 0.003508 0.008819 -0.007468 3C 1f+2 0.031898 -0.047370 -0.024052 0.037873 0.009438 -0.019134 3C 1f-2 0.033014 0.065750 -0.038859 0.062877 0.042429 -0.054792 3C 1f+3 -0.026150 -0.061081 0.032301 -0.059048 -0.043400 0.051962 3C 1f-3 0.021374 -0.088765 -0.034830 0.055899 0.051074 -0.057311 4C 1s -0.008878 0.000332 0.026151 0.015613 -0.017948 -0.013034 4C 2s -0.018778 0.000865 0.046384 0.027794 -0.031271 -0.020763 4C 3s 0.325053 -0.003455 -0.117893 -0.079542 0.086122 -0.120956 4C 4s -1.047864 0.029908 -0.703611 -0.375987 0.343955 1.147352 4C 5s 0.227850 -0.056133 0.060916 0.072510 0.193299 0.254612 4C 1pz -0.001784 -0.008748 -0.028328 -0.017994 -0.018342 -0.037551 4C 1px 0.006421 0.025630 -0.011591 -0.009182 -0.014022 -0.015180 4C 1py 0.000740 0.003266 -0.020859 -0.012743 -0.016581 -0.029687 4C 2pz 0.351206 -0.135055 -0.550274 -0.310711 0.832489 0.848772 4C 2px 0.067037 0.330708 -0.043791 -0.046655 0.164276 0.128197 4C 2py 0.236249 0.047994 -0.371967 -0.214215 0.579165 0.578035 4C 3pz -0.726085 0.146847 0.577530 0.314791 -0.066533 -0.758014 4C 3px -0.133310 -0.241917 0.145685 0.071033 -0.054227 -0.149273 4C 3py -0.492103 0.002792 0.355289 0.294106 -0.045472 -0.519124 4C 1dz2 0.003119 0.002692 -0.104959 -0.059998 0.103206 0.099993 4C 1dxz -0.011940 -0.004395 -0.023515 -0.016431 0.030582 0.027825 4C 1dyz 0.034623 -0.004239 -0.201393 -0.121773 0.161811 0.164091 4C 1dx2y2 0.023185 -0.002617 0.009863 0.007431 -0.039238 -0.034021 4C 1dxy 0.020683 -0.002877 -0.059233 -0.036293 0.031613 0.034842 4C 2dz2 -0.064660 -0.281911 0.133825 0.062474 -0.195537 -0.158660 4C 2dxz -0.018398 0.483485 0.147313 0.059812 -0.122441 -0.137025 4C 2dyz -0.120010 -0.007009 0.044255 0.039652 -0.138408 -0.111153 4C 2dx2y2 0.012063 0.031640 -0.235182 -0.146245 0.252383 0.239181 4C 2dxy -0.037529 0.363619 -0.090959 -0.060453 0.091284 0.080250 4C 1f0 0.035305 0.051246 0.076896 0.034607 -0.073065 -0.077178 4C 1f+1 0.059921 -0.062243 0.166146 0.092891 -0.160230 -0.162577 4C 1f-1 0.198509 0.067306 -0.044440 -0.027844 0.030258 -0.009492 4C 1f+2 -0.114578 0.032656 -0.104251 -0.064039 0.112444 0.130832 4C 1f-2 0.066294 -0.136202 -0.014764 -0.005593 0.011952 -0.000290 4C 1f+3 0.023960 0.013786 -0.031376 -0.017216 0.033969 0.027571 4C 1f-3 0.029056 0.076812 0.144756 0.092333 -0.141827 -0.138885 5C 1s 0.008729 -0.000582 0.015868 -0.026376 -0.017368 0.014588 5C 2s 0.018529 -0.001342 0.028169 -0.046874 -0.030332 0.023491 5C 3s -0.327536 0.023659 -0.075811 0.124366 0.087116 0.115949 5C 4s 1.066499 -0.105106 -0.404879 0.691101 0.312360 -1.194243 5C 5s -0.230359 0.063239 0.042691 -0.059684 0.195319 -0.268869 5C 1pz 0.001633 0.005620 -0.008522 0.018931 -0.012410 0.024653 5C 1px -0.001473 -0.024459 -0.012404 0.008371 -0.003812 0.018211 5C 1py 0.000440 -0.002659 0.018817 -0.031908 0.019056 -0.040648 5C 2pz -0.197910 0.154830 -0.205866 0.344830 0.509052 -0.571631 5C 2px -0.135389 -0.338400 -0.124760 0.204337 0.258946 -0.339090 5C 2py 0.347005 -0.120813 0.320269 -0.525535 -0.794438 0.900985 5C 3pz 0.443275 -0.128086 0.250358 -0.302711 -0.007764 0.459371 5C 3px 0.260882 0.205833 0.138613 -0.222331 0.003778 0.294285 5C 3py -0.727062 0.128475 -0.296416 0.590574 0.031867 -0.763157 5C 1dz2 0.023861 -0.001511 0.037509 -0.061830 -0.034230 0.039609 5C 1dxz 0.009471 0.000676 -0.022294 0.030733 0.044145 -0.045347 5C 1dyz 0.037089 -0.004336 0.114085 -0.192486 -0.137251 0.162124 5C 1dx2y2 -0.011701 -0.000706 0.040908 -0.076473 -0.080941 0.088739 5C 1dxy 0.006571 -0.005891 0.058155 -0.088784 -0.078618 0.087054 5C 2dz2 -0.037242 0.176417 0.090042 -0.122061 -0.087535 0.112281 5C 2dxz 0.022924 -0.246309 0.101674 -0.145566 -0.184008 0.181783 5C 2dyz -0.115107 -0.202372 -0.013882 0.005129 0.067478 -0.063327 5C 2dx2y2 -0.044812 -0.271556 -0.137260 0.253951 0.262303 -0.285685 5C 2dxy -0.058965 0.482659 -0.047051 0.066809 0.136884 -0.121625 5C 1f0 0.106505 0.033905 0.066005 -0.111367 -0.097733 0.081242 5C 1f+1 -0.016434 -0.058786 0.077212 -0.110062 -0.107029 0.121977 5C 1f-1 0.020175 0.060960 0.000906 -0.013084 -0.007476 0.001936 5C 1f+2 0.135202 0.037734 0.019442 -0.030142 -0.018966 -0.007175 5C 1f-2 0.123869 -0.130161 -0.053651 0.089102 0.087862 -0.118806 5C 1f+3 -0.118837 0.028079 0.064149 -0.101820 -0.103017 0.132921 5C 1f-3 0.061948 0.078780 -0.082719 0.155789 0.139762 -0.163701 6C 1s 0.008726 0.000586 -0.015855 0.026371 -0.017386 0.014578 6C 2s 0.018517 0.001355 -0.028145 0.046863 -0.030374 0.023478 6C 3s -0.326761 -0.024279 0.075700 -0.124313 0.088202 0.115567 6C 4s 1.063076 0.108570 0.404639 -0.690925 0.308237 -1.191532 6C 5s -0.228451 -0.064964 -0.042235 0.060713 0.194422 -0.268532 6C 1pz -0.001522 0.005683 -0.008484 0.019094 0.012328 -0.024674 6C 1px 0.001363 -0.024545 -0.012494 0.008252 0.003840 -0.018276 6C 1py -0.000526 -0.002692 0.018765 -0.032038 -0.018965 0.040709 6C 2pz 0.197066 0.154787 -0.205858 0.343154 -0.508330 0.571464 6C 2px 0.135778 -0.338137 -0.123655 0.203701 -0.258897 0.338205 6C 2py -0.345868 -0.120748 0.320520 -0.523906 0.794276 -0.901422 6C 3pz -0.442716 -0.130453 0.250058 -0.304199 0.007586 -0.460913 6C 3px -0.260141 0.205168 0.138297 -0.221894 -0.004026 -0.295369 6C 3py 0.726359 0.132285 -0.295434 0.592913 -0.031014 0.765664 6C 1dz2 0.023902 0.001614 -0.037519 0.061839 -0.034261 0.039627 6C 1dxz 0.009518 -0.000701 0.022256 -0.030607 0.044158 -0.045307 6C 1dyz 0.037091 0.004349 -0.113934 0.192409 -0.137224 0.162146 6C 1dx2y2 -0.011646 0.000622 -0.040868 0.076526 -0.081003 0.088839 6C 1dxy 0.006582 0.005778 -0.058051 0.088788 -0.078695 0.087049 6C 2dz2 -0.037245 -0.177004 -0.089759 0.121711 -0.087108 0.111713 6C 2dxz 0.023082 0.245994 -0.101689 0.144960 -0.183552 0.181474 6C 2dyz -0.114320 0.202409 0.013600 -0.004674 0.067726 -0.063692 6C 2dx2y2 -0.044476 0.272079 0.137223 -0.253356 0.262107 -0.285581 6C 2dxy -0.059208 -0.482736 0.046922 -0.066116 0.136421 -0.121394 6C 1f0 -0.106271 0.033931 0.065984 -0.111147 0.097647 -0.081160 6C 1f+1 0.016187 -0.058750 0.077116 -0.110079 0.107029 -0.121915 6C 1f-1 -0.019927 0.061067 0.000830 -0.012869 0.007310 -0.001835 6C 1f+2 -0.134889 0.037561 0.019452 -0.030073 0.019140 0.007028 6C 1f-2 -0.124021 -0.130498 -0.053763 0.089204 -0.087887 0.118958 6C 1f+3 0.118714 0.028411 0.064069 -0.101608 0.102812 -0.132731 6C 1f-3 -0.061657 0.078710 -0.082597 0.155771 -0.139692 0.163643 7C 1s -0.008872 -0.000326 -0.026123 -0.015596 -0.017970 -0.013046 7C 2s -0.018766 -0.000855 -0.046335 -0.027770 -0.031321 -0.020787 7C 3s 0.324877 0.003202 0.117574 0.079563 0.087105 -0.120748 7C 4s -1.047409 -0.029570 0.703534 0.374930 0.340373 1.147050 7C 5s 0.227879 0.058154 -0.062299 -0.072329 0.191738 0.255489 7C 1pz 0.001915 -0.008859 -0.028272 -0.017836 0.018259 0.037449 7C 1px -0.006638 0.025948 -0.011767 -0.009406 0.013862 0.015121 7C 1py -0.000792 0.003303 -0.021067 -0.012853 0.016480 0.029697 7C 2pz -0.350545 -0.134194 -0.548559 -0.309844 -0.831291 -0.848053 7C 2px -0.067331 0.328632 -0.042539 -0.045368 -0.162108 -0.126548 7C 2py -0.237483 0.047639 -0.370676 -0.213266 -0.579418 -0.578850 7C 3pz 0.725327 0.150497 0.574641 0.317181 0.066957 0.757920 7C 3px 0.132404 -0.242939 0.146188 0.072298 0.054742 0.148619 7C 3py 0.493480 0.004702 0.355538 0.297326 0.047005 0.521683 7C 1dz2 0.003099 -0.002571 0.104224 0.059577 0.102692 0.099468 7C 1dxz -0.011891 0.004348 0.023181 0.016329 0.030287 0.027538 7C 1dyz 0.034613 0.004230 0.201459 0.121938 0.162264 0.164461 7C 1dx2y2 0.023157 0.002568 -0.010281 -0.007730 -0.039719 -0.034380 7C 1dxy 0.020682 0.002966 0.059116 0.036198 0.031572 0.034808 7C 2dz2 -0.064954 0.281121 -0.134274 -0.062462 -0.195304 -0.158998 7C 2dxz -0.017108 -0.482556 -0.146324 -0.059269 -0.121633 -0.136928 7C 2dyz -0.120221 0.007678 -0.043390 -0.039112 -0.138413 -0.110832 7C 2dx2y2 0.012571 -0.031266 0.234602 0.145557 0.251868 0.238939 7C 2dxy -0.036453 -0.364522 0.091531 0.060749 0.091255 0.080200 7C 1f0 -0.034531 0.050922 0.076925 0.034635 0.073242 0.077302 7C 1f+1 -0.059268 -0.062076 0.165899 0.092702 0.159997 0.162251 7C 1f-1 -0.198644 0.067771 -0.044252 -0.027871 -0.030243 0.009565 7C 1f+2 0.115315 0.032837 -0.104173 -0.063984 -0.112494 -0.131024 7C 1f-2 -0.065653 -0.136792 -0.014305 -0.005250 -0.011581 0.000618 7C 1f+3 -0.024047 0.013566 -0.031397 -0.017218 -0.034220 -0.027904 7C 1f-3 -0.029616 0.076849 0.144651 0.092294 0.141939 0.139261 8C 1s 0.005940 -0.000644 0.000773 -0.001096 0.001976 -0.001930 8C 2s 0.011098 -0.000580 -0.001220 0.002363 0.001926 -0.001611 8C 3s 0.031358 -0.006947 0.049711 -0.080160 -0.067805 0.014683 8C 4s -0.559928 0.003660 -0.005998 -0.005208 0.602684 -0.388597 8C 5s 0.903521 0.171370 -0.307486 0.539825 -0.373401 1.162226 8C 1pz 0.025734 -0.007145 -0.006859 0.009718 0.009637 -0.005738 8C 1px 0.013094 0.026037 -0.004996 0.005477 0.001651 0.001111 8C 1py -0.036358 0.002886 0.008865 -0.017472 -0.009923 0.002033 8C 2pz 0.100181 0.122424 -0.028198 0.064534 -0.277856 0.221760 8C 2px 0.149832 -0.225143 0.003811 0.010568 -0.076309 0.039066 8C 2py -0.344910 -0.118895 0.066863 -0.067865 0.328549 -0.219423 8C 3pz -0.088434 -0.021882 0.022862 -0.097484 0.071895 -0.179682 8C 3px -0.094482 -0.008723 0.025463 -0.051539 0.007105 -0.065476 8C 3py 0.206439 0.033331 -0.096360 0.129697 -0.052033 0.249774 8C 1dz2 0.010139 -0.011047 -0.001924 -0.002160 -0.003103 0.001344 8C 1dxz -0.021621 0.017869 -0.004255 0.010199 -0.007609 0.012075 8C 1dyz 0.055912 0.023969 0.009914 -0.017872 0.008720 -0.021050 8C 1dx2y2 0.039216 0.025869 0.011983 -0.017256 0.011825 -0.019180 8C 1dxy 0.032815 -0.030973 0.007309 -0.013217 0.005937 -0.014209 8C 2dz2 0.036188 -0.049371 -0.013949 0.023658 -0.026710 0.020230 8C 2dxz -0.013305 0.071413 0.022329 -0.026531 0.067275 -0.057931 8C 2dyz 0.132969 0.104168 0.028250 -0.061167 0.009247 -0.034635 8C 2dx2y2 0.026444 0.117505 -0.015679 0.023037 -0.110851 0.091430 8C 2dxy 0.030042 -0.139037 -0.021366 0.040441 -0.095958 0.088001 8C 1f0 -0.005297 -0.008283 0.001423 -0.003104 0.023271 -0.020078 8C 1f+1 0.013675 0.024212 0.021666 -0.037564 0.039032 -0.043280 8C 1f-1 -0.005355 -0.047376 -0.000447 0.003465 -0.008726 0.007372 8C 1f+2 -0.031898 -0.047231 -0.023909 0.037769 -0.009378 0.019055 8C 1f-2 -0.032831 0.066127 -0.038911 0.063120 -0.042467 0.054830 8C 1f+3 0.025824 -0.060763 0.032239 -0.059094 0.043411 -0.051886 8C 1f-3 -0.021646 -0.088970 -0.034906 0.055876 -0.051136 0.057383 9C 1s -0.005980 0.001399 0.001158 0.000745 0.002044 0.001819 9C 2s -0.011126 0.001624 -0.002266 -0.001292 0.001943 0.001513 9C 3s -0.031910 0.020063 0.080715 0.049976 -0.070638 -0.010659 9C 4s 0.564373 -0.096926 0.001318 -0.012230 0.630095 0.342599 9C 5s -0.904828 -0.145140 -0.534914 -0.322520 -0.436001 -1.134157 9C 1pz -0.037940 0.008209 -0.017026 -0.009101 0.011109 0.002618 9C 1px -0.004101 -0.026138 -0.004611 -0.002093 -0.000255 -0.002882 9C 1py -0.026723 -0.004911 -0.010792 -0.008070 0.008689 0.002951 9C 2pz -0.313595 -0.132583 -0.079765 -0.058102 -0.358612 -0.216097 9C 2px -0.137891 0.247809 0.034385 0.010046 0.003894 0.037395 9C 2py -0.179767 0.012619 -0.055872 -0.014549 -0.263147 -0.163963 9C 3pz 0.197088 0.028671 0.131794 0.100527 0.081136 0.255902 9C 3px 0.070227 0.001172 0.012520 0.015804 -0.032450 0.007365 9C 3py 0.124385 0.017595 0.104975 0.031269 0.064452 0.169399 9C 1dz2 0.040675 0.024825 -0.015524 -0.008762 -0.009926 -0.015460 9C 1dxz 0.017358 -0.036737 -0.008823 -0.005632 -0.007136 -0.009674 9C 1dyz 0.061428 0.006663 -0.021427 -0.013547 -0.011548 -0.023824 9C 1dx2y2 -0.021020 -0.001983 0.010696 0.006302 0.011404 0.014004 9C 1dxy 0.011895 -0.027525 -0.003375 0.001214 0.000467 -0.002343 9C 2dz2 0.058289 0.118935 -0.000732 -0.003707 0.058529 0.035473 9C 2dxz -0.012446 -0.154605 0.077187 0.045248 0.138605 0.112590 9C 2dyz 0.119049 0.039042 -0.034739 -0.018724 0.041828 0.012961 9C 2dx2y2 -0.001972 -0.019579 -0.021161 -0.014669 -0.062655 -0.048132 9C 2dxy 0.036257 -0.119981 0.016363 0.015784 0.027678 0.015999 9C 1f0 -0.011495 -0.064991 0.030498 0.021477 0.023710 0.024041 9C 1f+1 -0.021394 0.061061 0.060735 0.034681 0.058095 0.058345 9C 1f-1 -0.033637 -0.026312 0.043483 0.025862 0.011952 0.020159 9C 1f+2 0.033977 0.009240 -0.068199 -0.042629 -0.052566 -0.056707 9C 1f-2 -0.017013 0.113849 0.021446 0.011799 0.001095 0.009376 9C 1f+3 0.006804 0.016438 -0.008691 -0.004628 -0.008953 -0.009214 9C 1f-3 -0.012596 -0.036761 0.045616 0.026485 0.050932 0.047970 10H 1s -0.021996 0.010210 -0.058576 -0.035692 0.055826 0.053078 10H 2s -0.076528 -0.066597 -0.062851 -0.038207 0.099740 0.102996 10H 3s 0.082804 0.027691 -0.007145 -0.004157 0.001232 0.020098 10H 1pz -0.017251 -0.018764 0.018018 0.010411 -0.021833 -0.018512 10H 1px 0.020382 0.006529 0.052322 0.032077 -0.056568 -0.055147 10H 1py -0.010596 -0.014994 0.015493 0.009483 -0.016168 -0.014456 11H 1s 0.005734 -0.018529 0.008609 0.002386 -0.027453 -0.021948 11H 2s 0.050852 -0.050279 0.021812 -0.002863 -0.055140 -0.045963 11H 3s 0.011537 -0.024720 -0.021630 0.001698 0.083371 0.105426 11H 1pz 0.000109 -0.015571 -0.005710 -0.008539 -0.003792 -0.002687 11H 1px 0.014835 -0.013866 0.007206 0.000290 -0.023668 -0.020535 11H 1py -0.008874 0.012823 0.000254 0.001631 0.006102 0.003350 12H 1s -0.006243 -0.026725 -0.014645 -0.005068 0.003658 0.005529 12H 2s -0.013601 -0.051348 0.009589 0.009328 -0.000190 0.010466 12H 3s 0.042196 -0.032556 -0.014965 -0.018791 0.053477 0.081431 12H 1pz -0.005075 0.011519 0.017035 0.009942 -0.017509 -0.017105 12H 1px 0.005770 -0.014120 0.008984 0.006581 -0.018811 -0.016190 12H 1py -0.012719 -0.021420 -0.006916 -0.001593 0.004022 0.006679 13H 1s 0.022579 -0.012660 -0.032799 0.052785 0.050748 -0.054853 13H 2s 0.077873 0.050744 -0.038511 0.048170 0.099305 -0.110762 13H 3s -0.082204 -0.023551 -0.008156 0.008971 0.004779 -0.022110 13H 1pz 0.023859 0.014630 -0.008696 0.010191 0.017654 -0.019329 13H 1px -0.013445 0.003209 0.027857 -0.043751 -0.045850 0.050834 13H 1py -0.011214 -0.011457 -0.015438 0.029396 0.027784 -0.030192 14H 1s 0.008887 0.023630 -0.009386 0.023468 0.011745 -0.014808 14H 2s 0.033729 0.031523 0.003922 -0.004674 0.016743 -0.028255 14H 3s -0.051049 0.037217 -0.016282 0.015755 0.039543 -0.075198 14H 1pz 0.017850 0.002968 -0.003564 0.007923 0.011362 -0.013846 14H 1px 0.006447 0.019471 0.001272 0.001182 -0.005471 0.002989 14H 1py -0.003352 0.009618 -0.015327 0.024802 0.027537 -0.028721 15H 1s -0.010069 0.011832 0.004428 -0.011624 -0.032652 0.030248 15H 2s -0.073027 0.038611 -0.010685 -0.018872 -0.060208 0.063269 15H 3s -0.002834 0.021008 0.007124 0.018195 0.082025 -0.114974 15H 1pz 0.019537 -0.011641 -0.000204 0.006842 0.020778 -0.019498 15H 1px -0.007205 -0.000957 0.000272 -0.003082 -0.011594 0.012609 15H 1py 0.009664 -0.013593 0.011451 -0.006152 0.009145 -0.009856 16H 1s -0.006591 -0.002564 0.006971 0.015104 -0.013210 0.016163 16H 2s 0.032390 0.030282 -0.073337 -0.099536 0.095195 0.003591 16H 3s 0.010615 -0.005033 0.009154 0.001337 -0.046687 -0.002560 16H 1pz 0.002632 0.007982 -0.003608 -0.019713 0.015515 0.015705 16H 1px -0.011507 -0.010600 -0.019145 -0.011807 -0.010134 0.001111 16H 1py 0.006766 0.007251 -0.017528 0.008362 -0.008259 0.005766 17H 1s 0.004831 0.001780 0.002180 0.016049 -0.012474 -0.014924 17H 2s -0.029091 -0.030834 0.013786 -0.108732 0.090721 -0.005692 17H 3s -0.011161 0.002076 0.000676 0.005722 -0.049658 0.007416 17H 1pz -0.004224 -0.000080 -0.001473 0.026410 -0.007467 0.009582 17H 1px 0.009756 0.011892 0.019346 -0.001484 -0.018640 0.009090 17H 1py -0.005671 -0.007317 0.020754 0.000673 -0.008465 -0.008483 18H 1s 0.004493 -0.001530 -0.002462 -0.015895 -0.012500 -0.014605 18H 2s -0.028104 0.029639 -0.013084 0.106765 0.089945 -0.005674 18H 3s -0.010838 -0.002071 -0.000518 -0.005665 -0.049694 0.007327 18H 1pz 0.003889 0.000138 -0.002098 0.026190 0.007371 -0.009545 18H 1px -0.009857 0.011678 0.020028 -0.001435 0.018367 -0.008788 18H 1py 0.005416 -0.007084 0.020931 0.001825 0.009062 0.008228 19H 1s -0.006800 0.002751 -0.007076 -0.014839 -0.013155 0.016202 19H 2s 0.032811 -0.030713 0.074002 0.099562 0.095784 0.003625 19H 3s 0.010565 0.005093 -0.009131 -0.001275 -0.046825 -0.002615 19H 1pz -0.002297 0.007791 -0.003482 -0.019533 -0.015668 -0.015690 19H 1px 0.011474 -0.010636 -0.018478 -0.012421 0.010306 -0.000965 19H 1py -0.006900 0.007246 -0.018040 0.007045 0.007580 -0.005985 20H 1s -0.009923 -0.012226 -0.004290 0.011314 -0.032326 0.029841 20H 2s -0.071825 -0.039715 0.010285 0.018863 -0.059668 0.062216 20H 3s -0.003164 -0.021793 -0.006874 -0.018277 0.082006 -0.114736 20H 1pz -0.019297 -0.012030 -0.000125 0.006610 -0.020470 0.019059 20H 1px 0.007423 -0.000666 0.000385 -0.003291 0.012018 -0.013005 20H 1py -0.009283 -0.013882 0.011286 -0.006115 -0.008960 0.009568 21H 1s 0.008481 -0.023695 0.009039 -0.022934 0.011030 -0.014032 21H 2s 0.032383 -0.032609 -0.004458 0.005247 0.015429 -0.026703 21H 3s -0.050238 -0.037467 0.016460 -0.015807 0.040284 -0.076323 21H 1pz -0.017641 0.003405 -0.003579 0.008014 -0.011331 0.013775 21H 1px -0.005919 0.019708 0.001530 0.000875 0.006054 -0.003651 21H 1py 0.003432 0.009615 -0.015028 0.024256 -0.026987 0.028137 22H 1s 0.022668 0.012571 0.032988 -0.052961 0.051109 -0.055169 22H 2s 0.077915 -0.051680 0.038808 -0.048668 0.100197 -0.111244 22H 3s -0.082035 0.023297 0.008281 -0.008869 0.004147 -0.021901 22H 1pz -0.023628 0.014789 -0.008540 0.009923 -0.017391 0.018932 22H 1px 0.013651 0.002937 0.028123 -0.044211 0.046521 -0.051454 22H 1py 0.011355 -0.011745 -0.015279 0.029219 -0.027535 0.029965 23H 1s -0.005815 0.026637 0.013695 0.004459 0.002255 0.004225 23H 2s -0.010981 0.052744 -0.010187 -0.010192 -0.002741 0.007891 23H 3s 0.040714 0.032762 0.014558 0.019065 0.054796 0.083060 23H 1pz 0.005257 0.011419 0.016010 0.009327 0.016328 0.016021 23H 1px -0.006181 -0.013749 0.009196 0.006743 0.019236 0.016643 23H 1py 0.011911 -0.022134 -0.006761 -0.001300 -0.003141 -0.005813 24H 1s 0.005241 0.019165 -0.007954 -0.001964 -0.026488 -0.021086 24H 2s 0.048123 0.051699 -0.022180 0.002143 -0.053483 -0.044006 24H 3s 0.012687 0.025521 0.021755 -0.001322 0.082723 0.105114 24H 1pz 0.000671 -0.015712 -0.005465 -0.008199 0.003448 0.002305 24H 1px -0.014505 -0.014747 0.007325 0.000405 0.023670 0.020439 24H 1py 0.008203 0.012950 0.000930 0.001968 -0.004858 -0.002204 25H 1s -0.022099 -0.010078 0.058990 0.036033 0.056320 0.053435 25H 2s -0.076840 0.067722 0.063603 0.038618 0.100483 0.103724 25H 3s 0.083256 -0.027565 0.006940 0.004088 0.000782 0.019681 25H 1pz 0.017543 -0.019194 0.017469 0.010078 0.021289 0.017983 25H 1px -0.020446 0.006868 0.052514 0.032225 0.056848 0.055367 25H 1py 0.010191 -0.014793 0.016452 0.010083 0.017412 0.015630 26O 1s -0.006261 -0.003560 0.001590 0.001047 -0.000231 0.000842 26O 2s -0.019715 -0.011301 0.006446 0.004180 -0.001685 0.001231 26O 3s 0.169930 0.111850 -0.139933 -0.086959 0.080708 0.060851 26O 4s -0.312815 -0.318330 0.556782 0.339671 -0.380361 -0.375660 26O 5s 0.659795 -0.291546 0.030886 0.007429 -0.511968 -0.320905 26O 1pz 0.009094 0.020481 -0.021524 -0.011810 0.041030 0.032014 26O 1px -0.058302 -0.053929 0.060255 0.037998 -0.029029 -0.013451 26O 1py -0.016699 -0.007971 0.011866 0.004540 0.014920 0.015181 26O 2pz -0.044610 -0.027407 0.019487 0.008670 -0.058138 -0.036440 26O 2px 0.062572 0.240184 -0.418478 -0.256682 0.354120 0.318310 26O 2py -0.001279 0.074128 -0.149559 -0.085149 0.093607 0.094076 26O 3pz 0.172624 -0.272996 -0.033387 0.026955 -0.172359 -0.076064 26O 3px -0.167043 0.069478 0.123195 0.112965 -0.055953 0.096459 26O 3py 0.043361 -0.146616 0.068794 -0.004271 -0.119844 -0.009310 26O 1dz2 0.029126 0.017904 -0.035382 -0.032799 0.009342 -0.002256 26O 1dxz 0.056633 0.005213 -0.120431 -0.074954 0.109759 0.106248 26O 1dyz -0.001111 0.008232 -0.061658 -0.030892 0.022976 0.003177 26O 1dx2y2 -0.075756 -0.023917 0.098344 0.051917 -0.068576 -0.062805 26O 1dxy -0.027612 -0.011729 -0.020210 -0.011428 0.024965 0.021294 26O 2dz2 -0.012116 0.016777 -0.073265 -0.036768 0.057416 0.064423 26O 2dxz 0.007926 -0.008181 0.011848 0.010104 -0.012453 -0.019890 26O 2dyz 0.002345 0.008925 -0.008014 -0.007875 0.005800 0.006985 26O 2dx2y2 0.012411 -0.009181 0.077493 0.049869 -0.065853 -0.068801 26O 2dxy 0.014925 -0.010397 0.071954 0.045193 -0.060654 -0.068912 26O 1f0 0.061996 -0.051767 -0.144328 -0.121090 0.148667 0.135357 26O 1f+1 0.059068 -0.079272 0.172956 0.079757 -0.159037 -0.147822 26O 1f-1 0.057472 -0.159730 0.026213 0.015125 -0.072753 -0.074528 26O 1f+2 -0.238722 0.242158 0.163677 0.075671 -0.068404 -0.035094 26O 1f-2 0.146353 -0.167303 0.135391 0.091307 -0.213762 -0.226505 26O 1f+3 -0.121996 0.063697 0.230217 0.126893 -0.183444 -0.154196 26O 1f-3 -0.118468 0.083886 0.090699 0.083562 -0.023542 0.006286 27O 1s 0.006143 0.003268 0.001098 -0.001803 -0.000531 -0.000745 27O 2s 0.019293 0.010553 0.004424 -0.007158 -0.002610 -0.000698 27O 3s -0.164925 -0.108433 -0.091253 0.147224 0.086159 -0.073755 27O 4s 0.299414 0.320809 0.351101 -0.573601 -0.370862 0.422764 27O 5s -0.652846 0.313540 0.040853 -0.075399 -0.409013 0.365406 27O 1pz -0.011926 -0.017061 -0.014716 0.020361 0.027122 -0.023418 27O 1px 0.059103 0.052103 0.037537 -0.062668 -0.021930 0.012229 27O 1py 0.002221 0.011226 0.005509 -0.015612 -0.032915 0.028455 27O 2pz 0.033293 0.039762 0.042416 -0.063690 -0.072593 0.064706 27O 2px -0.054829 -0.256031 -0.274651 0.447418 0.329017 -0.367117 27O 2py -0.038949 0.009257 0.028815 -0.025047 0.008506 0.017636 27O 3pz -0.129425 0.177976 -0.057736 -0.012900 -0.060553 0.063576 27O 3px 0.142046 -0.040216 0.075026 -0.106871 -0.076296 -0.093748 27O 3py 0.146352 -0.248780 -0.032049 -0.021747 0.124192 -0.068791 27O 1dz2 -0.040963 -0.007957 -0.002614 0.018000 0.012181 -0.011818 27O 1dxz -0.052041 -0.005495 -0.058158 0.105137 0.080087 -0.083639 27O 1dyz -0.023329 0.007858 0.001968 -0.013450 0.015710 -0.037242 27O 1dx2y2 0.066846 0.026107 0.054284 -0.074709 -0.041104 0.034726 27O 1dxy 0.032547 0.001436 0.064424 -0.114921 -0.085900 0.090267 27O 2dz2 0.013499 -0.010232 -0.042262 0.055217 0.046466 -0.061705 27O 2dxz -0.000668 0.000979 -0.009938 0.015576 0.009553 -0.009102 27O 2dyz -0.002716 0.013499 0.011617 -0.013858 -0.010528 0.017601 27O 2dx2y2 -0.017895 0.024115 0.064294 -0.111774 -0.083485 0.107964 27O 2dxy 0.015557 -0.009352 -0.023675 0.032707 0.032578 -0.046798 27O 1f0 -0.062214 -0.018765 -0.081575 0.153325 0.145139 -0.149318 27O 1f+1 0.104449 -0.081857 0.082247 -0.077620 -0.033473 0.011019 27O 1f-1 -0.037003 0.023230 0.003552 -0.057672 -0.054120 0.064809 27O 1f+2 0.152217 -0.190205 0.101990 -0.187226 -0.105750 0.089053 27O 1f-2 0.279036 -0.286822 -0.014218 0.011186 0.100059 -0.154330 27O 1f+3 0.005641 0.066116 0.141858 -0.249695 -0.225297 0.226115 27O 1f-3 0.058926 -0.058268 0.114142 -0.146392 -0.146442 0.166172 28O 1s -0.006148 0.003714 0.001609 0.000824 -0.000441 0.000793 28O 2s -0.019301 0.011943 0.006628 0.003416 -0.002463 0.000833 28O 3s 0.165257 -0.121605 -0.144423 -0.077691 0.090238 0.069633 28O 4s -0.303904 0.352842 0.563802 0.306782 -0.384811 -0.392862 28O 5s 0.655437 0.249762 0.116070 0.043740 -0.414191 -0.323023 28O 1pz -0.025475 0.017239 0.018422 0.011976 0.016112 0.013062 28O 1px 0.052988 -0.057746 -0.061498 -0.034970 0.037075 0.022464 28O 1py 0.005060 -0.011297 -0.010867 -0.010090 0.024221 0.016549 28O 2pz -0.004439 -0.132756 -0.245043 -0.137933 0.162897 0.188815 28O 2px -0.067868 0.236852 0.383364 0.213198 -0.309733 -0.293342 28O 2py -0.030317 0.006741 -0.005392 0.007550 -0.019158 0.003792 28O 3pz 0.049266 0.214420 0.016874 0.055224 -0.127179 -0.013557 28O 3px 0.200915 0.139165 -0.095200 -0.046655 0.003621 -0.122557 28O 3py 0.107028 0.177780 0.017749 -0.050832 -0.090708 -0.054995 28O 1dz2 0.037638 -0.011259 -0.093954 -0.066998 0.075928 0.066643 28O 1dxz 0.039223 -0.024618 -0.012765 -0.009932 -0.003269 -0.010983 28O 1dyz -0.002564 -0.012546 -0.065683 -0.034614 0.027141 0.010784 28O 1dx2y2 -0.075286 0.021417 0.103500 0.053071 -0.078099 -0.073165 28O 1dxy -0.042057 -0.000956 0.062981 0.038345 -0.063970 -0.067725 28O 2dz2 0.006018 -0.000976 -0.000017 0.004944 -0.007613 -0.011961 28O 2dxz -0.022498 -0.023951 -0.114588 -0.059929 0.094275 0.111202 28O 2dyz 0.005219 -0.007313 -0.000214 -0.004260 -0.004236 -0.004616 28O 2dx2y2 0.009094 0.009817 0.068289 0.043314 -0.054486 -0.060154 28O 2dxy -0.008034 -0.012864 -0.016132 -0.008799 0.016565 0.024398 28O 1f0 0.001384 0.033476 0.177099 0.072695 -0.155855 -0.144904 28O 1f+1 0.069795 0.061689 -0.126800 -0.100595 0.132034 0.126287 28O 1f-1 0.217277 0.297443 0.039135 0.018206 -0.138864 -0.170137 28O 1f+2 0.041214 -0.032686 -0.181059 -0.125300 0.172023 0.143069 28O 1f-2 -0.047563 -0.016967 -0.121649 -0.067195 0.122201 0.126198 28O 1f+3 0.150584 0.122841 -0.205915 -0.136103 0.154027 0.116362 28O 1f-3 0.204016 0.157810 -0.118446 -0.044471 0.051797 0.022366 29O 1s 0.000046 0.000015 -0.000450 -0.000906 0.003446 -0.000122 29O 2s 0.000157 0.000050 -0.001354 -0.002677 0.010575 -0.000380 29O 3s -0.001739 -0.000564 0.012424 0.022501 -0.104520 0.004022 29O 4s 0.004062 0.001362 -0.034786 -0.061941 0.266903 -0.009647 29O 5s -0.004449 -0.001467 0.095423 0.219961 -0.475588 0.010798 29O 1pz 0.001547 -0.002267 -0.002740 0.001502 -0.007463 -0.007214 29O 1px 0.000473 -0.000964 -0.001755 -0.002620 0.017510 -0.003406 29O 1py 0.000208 -0.000168 0.000603 -0.003064 -0.005507 0.000249 29O 2pz 0.004669 0.019867 0.003474 -0.010111 0.027898 0.034604 29O 2px 0.001893 0.007656 0.008751 0.020578 -0.067206 0.014982 29O 2py -0.001387 -0.000793 -0.004478 0.000803 0.023063 -0.002045 29O 3pz 0.033144 0.013971 -0.097172 -0.000254 -0.055408 -0.011392 29O 3px 0.013339 0.008218 -0.054076 0.002918 0.185222 -0.011565 29O 3py -0.002860 -0.006017 -0.019929 -0.135793 0.064312 0.000856 29O 1dz2 0.003876 0.003676 -0.007800 -0.009621 0.002380 -0.008024 29O 1dxz -0.002373 -0.004212 0.011232 -0.002783 -0.000212 -0.000006 29O 1dyz 0.003402 -0.002056 0.011289 -0.010973 0.002981 -0.024177 29O 1dx2y2 -0.000566 -0.001503 0.004861 -0.005991 -0.011191 -0.001537 29O 1dxy 0.002433 -0.000214 0.007444 0.028251 -0.008961 -0.012023 29O 2dz2 -0.002658 -0.004936 0.007410 0.000994 -0.004214 -0.004967 29O 2dxz 0.001111 0.003610 -0.009237 0.000828 -0.004369 0.007550 29O 2dyz -0.005647 -0.008353 -0.001119 0.005953 -0.002687 -0.004538 29O 2dx2y2 -0.000028 0.000771 -0.004359 -0.000324 0.009845 0.002722 29O 2dxy -0.002830 -0.003895 -0.002235 -0.013513 0.007378 -0.001317 29O 1f0 0.016153 0.009500 -0.015865 0.005062 -0.018631 -0.002400 29O 1f+1 0.019681 0.019430 0.029157 -0.003381 0.018096 0.002646 29O 1f-1 -0.007501 -0.007398 0.000224 0.013425 0.013138 0.005790 29O 1f+2 0.002057 -0.001915 -0.051307 0.016427 0.019141 -0.006470 29O 1f-2 0.002637 0.006499 0.021599 0.019611 0.013872 -0.007224 29O 1f+3 0.002991 0.004049 0.029281 0.015156 -0.001181 0.001956 29O 1f-3 -0.000360 -0.004509 -0.015101 0.022499 0.016821 0.000163 30O 1s 0.006193 -0.003837 0.000976 -0.001611 -0.000425 -0.000659 30O 2s 0.019423 -0.012322 0.003927 -0.006615 -0.002375 -0.000367 30O 3s -0.165655 0.124910 -0.084175 0.143719 0.086931 -0.078204 30O 4s 0.303008 -0.356865 0.330491 -0.557997 -0.377670 0.426315 30O 5s -0.674635 -0.255087 0.028930 -0.045840 -0.504500 0.353858 30O 1pz 0.023141 -0.016759 0.008661 -0.020652 0.005893 -0.007641 30O 1px -0.050890 0.059514 -0.036199 0.059029 0.043349 -0.030645 30O 1py -0.017505 0.008893 -0.007724 0.011645 -0.017660 0.018188 30O 2pz -0.005930 0.108664 -0.107625 0.201499 0.140519 -0.157678 30O 2px 0.066778 -0.230602 0.209633 -0.349698 -0.307359 0.304828 30O 2py -0.017233 -0.097735 0.111412 -0.189856 -0.125551 0.150089 30O 3pz -0.009128 -0.108473 -0.029032 -0.072946 -0.111355 -0.000787 30O 3px -0.228399 -0.181120 -0.063359 0.115288 -0.047515 0.133380 30O 3py 0.072746 0.212007 -0.040843 0.006361 0.155107 -0.036219 30O 1dz2 -0.042248 0.006858 -0.023650 0.051768 0.042356 -0.056794 30O 1dxz -0.046764 0.021177 -0.020919 0.045605 0.018085 -0.016179 30O 1dyz -0.015001 -0.000104 0.031696 -0.057232 -0.027496 0.016709 30O 1dx2y2 0.077857 -0.023434 0.089811 -0.138930 -0.107167 0.109944 30O 1dxy 0.012466 -0.021490 0.003515 -0.008133 0.018865 -0.032743 30O 2dz2 0.004257 -0.000858 -0.015222 0.014861 0.016212 -0.015510 30O 2dxz 0.013918 0.015689 -0.050054 0.080926 0.066005 -0.081102 30O 2dyz 0.012253 0.000718 -0.018752 0.043356 0.035915 -0.046038 30O 2dx2y2 -0.001811 -0.004899 0.019569 -0.036797 -0.025731 0.025643 30O 2dxy -0.018964 -0.023944 0.050508 -0.090239 -0.072174 0.093693 30O 1f0 0.192023 0.205299 0.075037 -0.114601 -0.012619 -0.025704 30O 1f+1 -0.145342 -0.100024 -0.038883 0.116046 0.057114 -0.043922 30O 1f-1 0.082042 0.082204 -0.049142 0.032661 0.081828 -0.099212 30O 1f+2 0.027880 0.121864 -0.142845 0.215887 0.240519 -0.264945 30O 1f-2 -0.068966 0.003342 -0.025015 0.034991 0.003542 0.017770 30O 1f+3 -0.201754 -0.184493 -0.136217 0.218119 0.138730 -0.121423 30O 1f-3 0.077939 0.099543 -0.085688 0.191295 0.172892 -0.193753 31O 1s 0.006193 0.003848 -0.000976 0.001604 -0.000416 -0.000652 31O 2s 0.019424 0.012356 -0.003927 0.006590 -0.002345 -0.000346 31O 3s -0.165666 -0.125144 0.084180 -0.143411 0.086509 -0.078430 31O 4s 0.303044 0.357135 -0.330441 0.556980 -0.376117 0.426822 31O 5s -0.673764 0.252132 -0.030027 0.044565 -0.504669 0.351465 31O 1pz -0.023167 -0.016845 0.008653 -0.020763 -0.005810 0.007604 31O 1px 0.050946 0.059546 -0.036159 0.059064 -0.043417 0.030616 31O 1py 0.017489 0.008934 -0.007727 0.011727 0.017655 -0.018219 31O 2pz 0.006081 0.108632 -0.107677 0.201748 -0.140610 0.157769 31O 2px -0.066985 -0.230381 0.209589 -0.349502 0.307142 -0.304624 31O 2py 0.017127 -0.097569 0.111467 -0.189964 0.125358 -0.149871 31O 3pz 0.008450 -0.109132 -0.029054 -0.074208 0.112391 0.000508 31O 3px 0.228271 -0.180378 -0.062981 0.116301 0.047139 -0.132867 31O 3py -0.072131 0.212575 -0.040925 0.007948 -0.156670 0.036368 31O 1dz2 -0.042161 -0.006901 0.023572 -0.051654 0.042289 -0.056842 31O 1dxz -0.046790 -0.021361 0.020988 -0.045603 0.018087 -0.016249 31O 1dyz -0.014942 0.000063 -0.031695 0.057171 -0.027474 0.016684 31O 1dx2y2 0.077835 0.023557 -0.089675 0.138843 -0.107141 0.109987 31O 1dxy 0.012532 0.021553 -0.003487 0.008102 0.018946 -0.032843 31O 2dz2 0.004267 0.000884 0.015186 -0.014791 0.016149 -0.015426 31O 2dxz 0.013914 -0.015577 0.050099 -0.080895 0.065944 -0.081108 31O 2dyz 0.012229 -0.000647 0.018812 -0.043317 0.035840 -0.046040 31O 2dx2y2 -0.001857 0.004866 -0.019600 0.036766 -0.025732 0.025630 31O 2dxy -0.018915 0.023857 -0.050510 0.090145 -0.072008 0.093635 31O 1f0 -0.191686 0.205307 0.075084 -0.114758 0.012773 0.025759 31O 1f+1 0.144879 -0.099836 -0.038716 0.115753 -0.056916 0.043848 31O 1f-1 -0.081780 0.081936 -0.049088 0.032574 -0.081763 0.099034 31O 1f+2 -0.027488 0.121816 -0.142802 0.216063 -0.240798 0.265104 31O 1f-2 0.068876 0.003489 -0.024979 0.035097 -0.003678 -0.017697 31O 1f+3 0.201225 -0.184404 -0.136202 0.218062 -0.138833 0.121482 31O 1f-3 -0.077761 0.099673 -0.085442 0.191184 -0.172957 0.193686 32O 1s 0.000061 -0.000024 0.000462 0.000898 0.003449 -0.000128 32O 2s 0.000204 -0.000080 0.001388 0.002653 0.010584 -0.000402 32O 3s -0.002207 0.000821 -0.012627 -0.022328 -0.104624 0.004309 32O 4s 0.005125 -0.001975 0.035009 0.061536 0.267206 -0.010250 32O 5s -0.006272 0.003239 -0.096901 -0.218144 -0.475997 0.010809 32O 1pz -0.001517 -0.002242 -0.002742 0.001533 0.007373 0.007180 32O 1px -0.000435 -0.000981 -0.001667 -0.002662 -0.017543 0.003342 32O 1py -0.000358 -0.000211 0.000609 -0.003093 0.005481 0.000014 32O 2pz -0.004739 0.019722 0.003513 -0.009892 -0.027605 -0.034458 32O 2px -0.001909 0.007469 0.008755 0.020586 0.067298 -0.014604 32O 2py 0.001571 -0.000230 -0.004915 0.001017 -0.022992 0.000783 32O 3pz -0.032854 0.013854 -0.096952 -0.000045 0.055439 0.011313 32O 3px -0.012914 0.008227 -0.054241 0.003170 -0.185486 0.011202 32O 3py 0.001361 -0.005021 -0.021412 -0.135086 -0.064392 -0.000459 32O 1dz2 0.004020 -0.003913 0.007866 0.009325 0.002328 -0.007725 32O 1dxz -0.002332 0.004090 -0.011214 0.002967 -0.000221 0.000148 32O 1dyz 0.003456 0.002011 -0.011452 0.011193 0.002630 -0.024233 32O 1dx2y2 -0.000414 0.001297 -0.004395 0.006193 -0.011263 -0.001319 32O 1dxy 0.002294 0.000356 -0.007052 -0.028209 -0.009006 -0.011792 32O 2dz2 -0.002546 0.004627 -0.007559 -0.000894 -0.004281 -0.004460 32O 2dxz 0.001186 -0.003698 0.009155 -0.000744 -0.004302 0.007692 32O 2dyz -0.005683 0.008396 0.001127 -0.005878 -0.002743 -0.004636 32O 2dx2y2 0.000012 -0.000952 0.004327 0.000252 0.009851 0.003018 32O 2dxy -0.002784 0.003709 0.002365 0.013475 0.007314 -0.000998 32O 1f0 -0.017060 0.009805 -0.015255 0.003415 0.018693 0.003035 32O 1f+1 -0.018816 0.018924 0.028067 -0.003114 -0.018061 -0.003193 32O 1f-1 0.006718 -0.006713 -0.002364 0.014211 -0.012913 -0.005724 32O 1f+2 -0.001969 -0.002044 -0.052993 0.014782 -0.019113 0.006432 32O 1f-2 -0.003205 0.007019 0.020731 0.019719 -0.014716 0.007167 32O 1f+3 -0.003925 0.004248 0.029934 0.015616 0.001133 -0.000966 32O 1f-3 0.000372 -0.004212 -0.013904 0.022318 -0.016512 -0.000329 33O 1s -0.006140 -0.003716 -0.001606 -0.000825 -0.000435 0.000796 33O 2s -0.019277 -0.011948 -0.006618 -0.003419 -0.002446 0.000839 33O 3s 0.165011 0.121564 0.144248 0.077699 0.090084 0.069654 33O 4s -0.303258 -0.352417 -0.563076 -0.306947 -0.384478 -0.393132 33O 5s 0.656401 -0.247188 -0.115685 -0.041241 -0.413053 -0.323142 33O 1pz 0.025387 0.017228 0.018321 0.011883 -0.016127 -0.013004 33O 1px -0.052852 -0.057737 -0.061376 -0.034868 -0.037074 -0.022430 33O 1py -0.005022 -0.011191 -0.010791 -0.010085 -0.024198 -0.016537 33O 2pz 0.004748 -0.132337 -0.244201 -0.137300 -0.162577 -0.188915 33O 2px 0.067254 0.236415 0.382901 0.212829 0.309848 0.293589 33O 2py 0.030371 0.006451 -0.005914 0.007457 0.018725 -0.004192 33O 3pz -0.049664 0.215425 0.015950 0.054376 0.127703 0.014016 33O 3px -0.201003 0.138435 -0.095003 -0.046798 -0.004387 0.122637 33O 3py -0.107447 0.178577 0.017256 -0.052100 0.091014 0.055157 33O 1dz2 0.037706 0.011199 0.093850 0.066926 0.075788 0.066387 33O 1dxz 0.039096 0.024556 0.012632 0.009759 -0.003374 -0.011055 33O 1dyz -0.002659 0.012754 0.065564 0.034762 0.027311 0.011021 33O 1dx2y2 -0.075174 -0.021680 -0.103388 -0.053062 -0.078192 -0.073246 33O 1dxy -0.042124 0.001073 -0.062808 -0.038289 -0.063972 -0.067827 33O 2dz2 0.005985 0.000929 0.000247 -0.004803 -0.007444 -0.011839 33O 2dxz -0.022555 0.023771 0.114353 0.059783 0.094170 0.111236 33O 2dyz 0.005222 0.007346 0.000022 0.004176 -0.004395 -0.004791 33O 2dx2y2 0.009136 -0.009717 -0.068323 -0.043329 -0.054552 -0.060256 33O 2dxy -0.008132 0.012864 0.016346 0.008879 0.016742 0.024591 33O 1f0 -0.000749 0.032760 0.176376 0.072309 0.155208 0.144083 33O 1f+1 -0.070356 0.061693 -0.127242 -0.100980 -0.132315 -0.126304 33O 1f-1 -0.218282 0.297909 0.038818 0.017827 0.138888 0.170242 33O 1f+2 -0.040821 -0.033399 -0.180800 -0.125017 -0.172260 -0.143344 33O 1f-2 0.048109 -0.017495 -0.121154 -0.067042 -0.122394 -0.126527 33O 1f+3 -0.150614 0.122789 -0.206130 -0.136286 -0.154589 -0.116733 33O 1f-3 -0.204641 0.158335 -0.118026 -0.044443 -0.051648 -0.022285 34O 1s 0.006131 -0.003259 -0.001095 0.001808 -0.000520 -0.000740 34O 2s 0.019257 -0.010527 -0.004413 0.007170 -0.002574 -0.000686 34O 3s -0.164685 0.108276 0.091072 -0.147294 0.085701 -0.073817 34O 4s 0.299101 -0.320848 -0.350485 0.573827 -0.369497 0.423022 34O 5s -0.651553 -0.315691 -0.040638 0.072616 -0.409768 0.362137 34O 1pz 0.011899 -0.017009 -0.014731 0.020385 -0.027165 0.023424 34O 1px -0.059021 0.052077 0.037514 -0.062512 0.021986 -0.012115 34O 1py -0.002164 0.011183 0.005499 -0.015680 0.032959 -0.028564 34O 2pz -0.033218 0.039630 0.042536 -0.063903 0.072774 -0.064867 34O 2px 0.054956 -0.256385 -0.274302 0.446671 -0.328943 0.366420 34O 2py 0.038754 0.009580 0.028823 -0.024688 -0.008647 -0.017191 34O 3pz 0.129411 0.178689 -0.058033 -0.012260 0.060690 -0.063145 34O 3px -0.141529 -0.040864 0.075226 -0.106354 0.077454 0.093059 34O 3py -0.146541 -0.249293 -0.032523 -0.023057 -0.124938 0.068105 34O 1dz2 -0.040857 0.007932 0.002626 -0.017869 0.012117 -0.011748 34O 1dxz -0.052025 0.005473 0.058208 -0.105072 0.080070 -0.083667 34O 1dyz -0.023313 -0.007913 -0.001922 0.013454 0.015765 -0.037227 34O 1dx2y2 0.066740 -0.026089 -0.054208 0.074784 -0.041164 0.034708 34O 1dxy 0.032490 -0.001495 -0.064378 0.114980 -0.085977 0.090340 34O 2dz2 0.013402 0.010292 0.042184 -0.055145 0.046402 -0.061575 34O 2dxz -0.000708 -0.000976 0.009969 -0.015668 0.009601 -0.009121 34O 2dyz -0.002743 -0.013542 -0.011628 0.013885 -0.010547 0.017623 34O 2dx2y2 -0.017749 -0.024219 -0.064191 0.111681 -0.083409 0.107811 34O 2dxy 0.015519 0.009438 0.023643 -0.032599 0.032493 -0.046699 34O 1f0 0.062155 -0.018639 -0.081559 0.153204 -0.145111 0.149284 34O 1f+1 -0.104459 -0.082003 0.082009 -0.077454 0.033434 -0.010752 34O 1f-1 0.037184 0.023588 0.003556 -0.057729 0.054240 -0.065007 34O 1f+2 -0.152711 -0.190741 0.101935 -0.187320 0.105860 -0.089006 34O 1f-2 -0.279339 -0.287356 -0.014233 0.011061 -0.100015 0.154306 34O 1f+3 -0.005405 0.066392 0.141860 -0.249623 0.225545 -0.226237 34O 1f-3 -0.058920 -0.058323 0.113933 -0.146450 0.146575 -0.166298 35O 1s -0.006274 0.003564 -0.001585 -0.001047 -0.000226 0.000844 35O 2s -0.019757 0.011307 -0.006427 -0.004178 -0.001666 0.001239 35O 3s 0.170334 -0.111811 0.139659 0.086885 0.080425 0.060767 35O 4s -0.313835 0.317933 -0.556065 -0.339587 -0.379574 -0.375513 35O 5s 0.658561 0.290548 -0.030799 -0.004301 -0.509327 -0.320177 35O 1pz -0.009131 0.020404 -0.021468 -0.011780 -0.041069 -0.032045 35O 1px 0.058494 -0.053967 0.060281 0.038066 0.029121 0.013461 35O 1py 0.016673 -0.007989 0.011880 0.004525 -0.014998 -0.015272 35O 2pz 0.044553 -0.027179 0.019506 0.008738 0.058537 0.036775 35O 2px -0.063375 0.239877 -0.418265 -0.256502 -0.353839 -0.318176 35O 2py 0.001289 0.074038 -0.149739 -0.085108 -0.093419 -0.093900 35O 3pz -0.171900 -0.273556 -0.032242 0.026998 0.172455 0.075619 35O 3px 0.167149 0.068855 0.124216 0.114430 0.057639 -0.096032 35O 3py -0.043475 -0.147265 0.069507 -0.003597 0.120770 0.009001 35O 1dz2 0.029392 -0.017788 0.035397 0.032792 0.009247 -0.002396 35O 1dxz 0.056656 -0.005195 0.120311 0.075057 0.109817 0.106161 35O 1dyz -0.001129 -0.008415 0.061627 0.030925 0.023079 0.003309 35O 1dx2y2 -0.075850 0.024093 -0.098244 -0.051916 -0.068705 -0.063051 35O 1dxy -0.027626 0.011861 0.020270 0.011507 0.025154 0.021492 35O 2dz2 -0.012091 -0.016680 0.073191 0.036691 0.057337 0.064451 35O 2dxz 0.007819 0.008219 -0.011712 -0.010013 -0.012274 -0.019740 35O 2dyz 0.002330 -0.009009 0.008127 0.007954 0.005933 0.007080 35O 2dx2y2 0.012366 0.009137 -0.077306 -0.049694 -0.065698 -0.068747 35O 2dxy 0.014920 0.010294 -0.072014 -0.045169 -0.060613 -0.068960 35O 1f0 -0.061767 -0.051428 -0.144245 -0.121171 -0.148925 -0.135588 35O 1f+1 -0.058139 -0.078756 0.172857 0.079604 0.158898 0.147485 35O 1f-1 -0.056754 -0.159674 0.026249 0.015092 0.072592 0.074254 35O 1f+2 0.238621 0.242967 0.163211 0.075436 0.067909 0.034573 35O 1f-2 -0.146348 -0.167405 0.135494 0.091370 0.214101 0.226654 35O 1f+3 0.121571 0.063493 0.229907 0.126827 0.184015 0.154817 35O 1f-3 0.117888 0.083329 0.090846 0.083807 0.023909 -0.006057 660 661 662 663 664 665 5.92833 5.97849 5.98212 5.99139 5.99223 5.99397 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s -0.000677 0.000130 -0.000086 -0.000030 -0.000023 -0.000125 0Rh 2s 0.001811 -0.001093 0.000794 0.000307 0.000121 0.001010 0Rh 3s -0.003011 0.000141 -0.000051 0.000002 -0.000068 -0.000163 0Rh 4s -0.012127 0.006808 -0.004947 -0.001913 -0.000783 -0.006324 0Rh 5s 0.014708 -0.018843 0.014204 0.005700 0.001933 0.017221 0Rh 6s 0.081224 0.024799 -0.021360 -0.009505 -0.001245 -0.019835 0Rh 7s -1.720161 -0.059871 0.090002 0.070972 -0.000453 0.009518 0Rh 8s 0.525579 0.003929 0.001575 -0.014518 0.008441 -0.038609 0Rh 1pz -0.047743 -0.075864 0.027493 0.004771 0.031227 -0.018358 0Rh 1px 0.154024 -0.028342 -0.011934 -0.003371 0.010013 -0.017123 0Rh 1py 0.031027 0.023279 0.088113 0.003475 -0.021313 -0.035231 0Rh 2pz 0.199083 0.316324 -0.114676 -0.019916 -0.130398 0.076696 0Rh 2px -0.642238 0.118165 0.049806 0.014087 -0.041848 0.071425 0Rh 2py -0.129360 -0.097085 -0.367415 -0.014488 0.089021 0.147127 0Rh 3pz -0.652410 -1.031458 0.374780 0.065427 0.429137 -0.253236 0Rh 3px 2.103785 -0.385096 -0.163510 -0.046692 0.138540 -0.233253 0Rh 3py 0.423402 0.316998 1.198274 0.047168 -0.293385 -0.484357 0Rh 4pz 0.878836 1.350401 -0.493753 -0.087519 -0.574816 0.342078 0Rh 4px -2.829380 0.503348 0.218678 0.064409 -0.188560 0.305367 0Rh 4py -0.567787 -0.416511 -1.569032 -0.061003 0.394258 0.649157 0Rh 5pz -0.593697 -0.760046 0.286039 0.054538 0.354994 -0.219203 0Rh 5px 1.892165 -0.281412 -0.137186 -0.046646 0.125549 -0.167295 0Rh 5py 0.371354 0.237720 0.882934 0.031262 -0.246080 -0.401326 0Rh 6pz 0.714505 0.223809 -0.095329 -0.035544 -0.453496 0.349848 0Rh 6px -2.040413 0.072112 0.108932 0.060429 -0.262620 0.049616 0Rh 6py -0.219365 -0.053817 -0.217316 -0.016628 0.321698 0.512835 0Rh 1dz2 0.001960 -0.002547 0.001151 0.000022 -0.000332 -0.000293 0Rh 1dxz 0.002470 0.003934 -0.001851 -0.000040 0.000608 -0.000525 0Rh 1dyz 0.000716 0.000158 0.001211 0.000158 0.000978 -0.001237 0Rh 1dx2y2 -0.004270 0.001618 0.001721 -0.000229 0.000712 -0.000255 0Rh 1dxy -0.002013 -0.001795 -0.004285 0.000025 -0.000303 -0.001399 0Rh 2dz2 0.000740 0.000826 -0.000479 -0.000147 0.000301 0.000217 0Rh 2dxz 0.001036 -0.001203 0.000552 -0.000103 -0.000452 0.000713 0Rh 2dyz 0.000066 -0.000169 -0.000650 -0.000090 -0.000344 0.000384 0Rh 2dx2y2 -0.001312 -0.000689 -0.000407 0.000135 -0.000571 -0.000422 0Rh 2dxy -0.000416 0.000451 0.001303 -0.000018 0.000290 0.000663 0Rh 3dz2 -0.013869 0.009183 -0.003648 0.000611 0.000288 0.000386 0Rh 3dxz -0.017976 -0.014524 0.006922 0.000709 -0.001104 -0.000729 0Rh 3dyz -0.004060 0.000092 -0.003104 -0.000364 -0.003515 0.004615 0Rh 3dx2y2 0.028743 -0.005010 -0.006947 0.000522 -0.000975 0.003535 0Rh 3dxy 0.012543 0.007154 0.015841 -0.000067 0.000252 0.004305 0Rh 4dz2 0.036108 -0.017998 0.006388 -0.002122 0.000451 0.000839 0Rh 4dxz 0.046958 0.028607 -0.013727 -0.002114 0.002015 0.004639 0Rh 4dyz 0.009856 -0.001590 0.004195 0.000253 0.007761 -0.009524 0Rh 4dx2y2 -0.073846 0.008611 0.014262 -0.000462 0.000261 -0.011457 0Rh 4dxy -0.031381 -0.014986 -0.031325 0.000182 -0.000144 -0.009469 0Rh 5dz2 -0.051937 0.023897 -0.001823 0.005657 -0.002799 -0.010884 0Rh 5dxz -0.068584 -0.041907 0.017261 0.004165 -0.010209 -0.013384 0Rh 5dyz -0.012020 0.006451 0.009412 0.002599 -0.018675 0.013835 0Rh 5dx2y2 0.106188 -0.005256 -0.018692 -0.000603 0.003744 0.032460 0Rh 5dxy 0.042266 0.023590 0.048373 0.001516 0.003656 0.025238 0Rh 1f0 -0.013748 0.006653 0.011528 0.000723 -0.013049 -0.005804 0Rh 1f+1 0.011905 -0.005993 0.003375 -0.000294 -0.006021 0.005024 0Rh 1f-1 0.004692 -0.009263 0.019832 0.001514 0.002954 -0.013909 0Rh 1f+2 0.018869 0.019340 -0.001645 -0.001377 -0.008956 0.002411 0Rh 1f-2 0.008510 0.005457 0.014835 0.000552 -0.000720 -0.005478 0Rh 1f+3 0.022264 -0.011475 -0.007451 -0.000893 0.003971 0.002376 0Rh 1f-3 0.013268 0.003808 0.007712 -0.000401 0.002138 0.009170 1Rh 1s -0.000686 0.000124 -0.000083 -0.000040 0.000025 0.000122 1Rh 2s 0.001882 -0.001044 0.000774 0.000392 -0.000114 -0.000989 1Rh 3s -0.003029 0.000133 -0.000047 -0.000012 0.000083 0.000157 1Rh 4s -0.012571 0.006501 -0.004819 -0.002443 0.000748 0.006192 1Rh 5s 0.015907 -0.018014 0.013856 0.007146 -0.001774 -0.016886 1Rh 6s 0.079814 0.023816 -0.020929 -0.011205 0.000692 0.019572 1Rh 7s -1.718087 -0.058459 0.089305 0.072247 0.006564 -0.010413 1Rh 8s 0.524921 0.007066 0.001358 -0.016840 -0.009415 0.038723 1Rh 1pz 0.047843 0.075737 -0.027620 -0.003536 0.031119 -0.017968 1Rh 1px -0.153782 0.028477 0.011832 0.004597 0.010518 -0.017215 1Rh 1py -0.030947 -0.023149 -0.088188 -0.001124 -0.021453 -0.035095 1Rh 2pz -0.199499 -0.315792 0.115204 0.014756 -0.129945 0.075071 1Rh 2px 0.641225 -0.118726 -0.049379 -0.019202 -0.043958 0.071811 1Rh 2py 0.129026 0.096543 0.367729 0.004674 0.089604 0.146561 1Rh 3pz 0.653749 1.029712 -0.376518 -0.048430 0.427624 -0.247944 1Rh 3px -2.100423 0.386900 0.162109 0.063389 0.145512 -0.234537 1Rh 3py -0.422316 -0.315224 -1.199278 -0.014900 -0.295276 -0.482511 1Rh 4pz -0.880548 -1.348086 0.496083 0.064673 -0.572687 0.335166 1Rh 4px 2.824808 -0.505629 -0.216818 -0.086263 -0.198074 0.307183 1Rh 4py 0.566388 0.414176 1.570300 0.017866 0.396680 0.646738 1Rh 5pz 0.594594 0.758713 -0.287471 -0.040107 0.353384 -0.215302 1Rh 5px -1.889365 0.282501 0.136076 0.058653 0.132025 -0.168782 1Rh 5py -0.370743 -0.236426 -0.883579 -0.004793 -0.247256 -0.399947 1Rh 6pz -0.713044 -0.223605 0.098526 0.013539 -0.451120 0.349686 1Rh 6px 2.040530 -0.070388 -0.107225 -0.064120 -0.268285 0.053238 1Rh 6py 0.222238 0.053676 0.218161 -0.016813 0.319008 0.512202 1Rh 1dz2 0.001961 -0.002496 0.001151 0.000005 0.000352 0.000310 1Rh 1dxz 0.002522 0.003961 -0.001851 -0.000060 -0.000608 0.000514 1Rh 1dyz 0.000669 0.000188 0.001230 0.000090 -0.000942 0.001280 1Rh 1dx2y2 -0.004317 0.001634 0.001714 -0.000246 -0.000697 0.000214 1Rh 1dxy -0.002013 -0.001777 -0.004285 -0.000063 0.000277 0.001412 1Rh 2dz2 0.000744 0.000807 -0.000469 -0.000131 -0.000321 -0.000228 1Rh 2dxz 0.001032 -0.001213 0.000552 -0.000061 0.000441 -0.000713 1Rh 2dyz 0.000078 -0.000177 -0.000646 -0.000067 0.000314 -0.000401 1Rh 2dx2y2 -0.001313 -0.000697 -0.000399 0.000108 0.000579 0.000430 1Rh 2dxy -0.000419 0.000444 0.001308 0.000023 -0.000285 -0.000671 1Rh 3dz2 -0.013894 0.009008 -0.003692 0.000620 -0.000295 -0.000422 1Rh 3dxz -0.018226 -0.014618 0.006916 0.000609 0.001162 0.000786 1Rh 3dyz -0.003875 -0.000028 -0.003218 -0.000123 0.003474 -0.004755 1Rh 3dx2y2 0.028992 -0.005048 -0.006951 0.000751 0.000853 -0.003358 1Rh 3dxy 0.012555 0.007096 0.015817 0.000214 -0.000140 -0.004336 1Rh 4dz2 0.036199 -0.017639 0.006524 -0.002018 -0.000531 -0.000798 1Rh 4dxz 0.047539 0.028817 -0.013708 -0.001694 -0.002206 -0.004775 1Rh 4dyz 0.009462 -0.001325 0.004502 -0.000226 -0.007811 0.009773 1Rh 4dx2y2 -0.074477 0.008635 0.014309 -0.001221 0.000074 0.011084 1Rh 4dxy -0.031446 -0.014891 -0.031239 -0.000454 -0.000098 0.009509 1Rh 5dz2 -0.052393 0.023357 -0.002299 0.004801 0.003255 0.010957 1Rh 5dxz -0.069733 -0.042389 0.017146 0.003091 0.010658 0.013662 1Rh 5dyz -0.011447 0.006050 0.008346 0.003204 0.019388 -0.013891 1Rh 5dx2y2 0.107816 -0.004968 -0.018942 0.001586 -0.004377 -0.031960 1Rh 5dxy 0.042633 0.023622 0.047998 0.003280 -0.003170 -0.025136 1Rh 1f0 0.013791 -0.006594 -0.011476 -0.000314 -0.013131 -0.005764 1Rh 1f+1 -0.011941 0.005965 -0.003356 -0.000025 -0.006011 0.005016 1Rh 1f-1 -0.004603 0.009265 -0.019877 -0.000664 0.002903 -0.013829 1Rh 1f+2 -0.019014 -0.019362 0.001687 0.001206 -0.008969 0.002344 1Rh 1f-2 -0.008469 -0.005458 -0.014884 -0.000252 -0.000766 -0.005493 1Rh 1f+3 -0.022335 0.011396 0.007461 0.000719 0.004038 0.002389 1Rh 1f-3 -0.013372 -0.003807 -0.007678 -0.000178 0.002131 0.009171 2C 1s 0.000357 -0.000899 0.001237 -0.000532 -0.001068 0.000260 2C 2s -0.000095 -0.000987 0.001376 0.000010 -0.000545 0.000687 2C 3s -0.000924 -0.007728 0.011954 -0.023520 -0.017955 -0.050280 2C 4s 0.308968 0.023419 -0.033931 0.074920 0.023247 0.278724 2C 5s -0.286010 0.040467 -0.084227 -0.173313 -0.461926 0.563332 2C 1pz -0.000208 0.008130 -0.009427 -0.002067 -0.000237 -0.009417 2C 1px 0.002694 -0.027933 0.035767 0.000733 -0.003261 -0.003249 2C 1py 0.000511 -0.004766 0.004508 0.008008 0.015767 -0.001580 2C 2pz 0.297327 -0.134386 0.173826 0.024031 -0.044835 0.161400 2C 2px 0.029177 0.295844 -0.386408 0.001299 0.030139 0.036284 2C 2py 0.188916 0.013445 -0.012390 -0.100131 -0.185402 0.069958 2C 3pz -0.137013 0.021672 -0.022750 -0.052915 -0.097757 0.140303 2C 3px -0.069505 -0.055040 0.071151 -0.016089 -0.018200 0.010229 2C 3py -0.075751 -0.016414 -0.003747 0.041614 -0.030575 0.106330 2C 1dz2 0.002498 0.000016 0.002269 -0.019029 -0.029436 -0.008174 2C 1dxz 0.003725 -0.011874 0.011456 -0.015630 -0.023569 -0.013048 2C 1dyz 0.001808 0.003997 -0.006715 0.010912 0.015241 0.010473 2C 1dx2y2 -0.005919 0.007727 -0.010110 -0.016679 -0.024614 -0.006365 2C 1dxy -0.000403 -0.005750 0.006508 0.010423 0.009210 0.002510 2C 2dz2 0.054244 -0.066106 0.091705 -0.031223 -0.036820 0.024073 2C 2dxz 0.016409 0.025348 -0.031406 -0.059187 -0.079508 0.011108 2C 2dyz 0.074487 0.016729 -0.020861 -0.001539 -0.029046 0.028469 2C 2dx2y2 -0.035090 0.084625 -0.103405 -0.025772 0.010268 -0.025972 2C 2dxy 0.004616 0.051026 -0.072880 0.038954 0.050337 0.019265 2C 1f0 -0.003351 0.011211 -0.008134 -0.042929 -0.044679 -0.012763 2C 1f+1 0.003979 0.002968 -0.008857 -0.017856 -0.018049 -0.017415 2C 1f-1 -0.017344 -0.008649 0.010160 0.010272 0.011801 0.006307 2C 1f+2 0.007024 -0.020736 0.026371 -0.027497 -0.036642 -0.011149 2C 1f-2 -0.010597 0.011351 -0.018430 0.016580 0.020488 0.005074 2C 1f+3 -0.000460 -0.007165 0.012148 -0.035267 -0.048696 -0.017157 2C 1f-3 0.006006 0.005925 -0.008790 0.039628 0.048660 0.013902 3C 1s 0.000253 -0.000769 -0.000624 -0.000898 -0.000139 -0.001678 3C 2s -0.000200 -0.000905 -0.000736 -0.000090 -0.000605 -0.000776 3C 3s -0.002424 -0.001456 -0.002484 -0.039050 0.051411 -0.044334 3C 4s 0.311072 -0.035513 -0.015133 0.137648 -0.284029 0.138303 3C 5s -0.281588 0.073777 0.140251 -0.243570 -0.540843 -0.626558 3C 1pz 0.000505 0.012459 0.010039 0.007366 0.001354 0.016906 3C 1px -0.000272 -0.032870 -0.030781 0.000204 0.001670 0.004168 3C 1py -0.000673 -0.005435 -0.004214 0.000271 -0.008627 0.000178 3C 2pz 0.161055 -0.182766 -0.152237 -0.101126 -0.070116 -0.199028 3C 2px 0.116211 0.335090 0.315495 -0.002729 -0.040413 -0.043505 3C 2py -0.278758 0.142832 0.111604 -0.009929 0.148885 0.031885 3C 3pz -0.040803 0.027922 0.028364 0.037244 -0.097464 -0.039376 3C 3px -0.064429 -0.054200 -0.066212 -0.003132 -0.050385 -0.030305 3C 3py 0.152144 -0.016977 -0.043484 0.059875 0.132553 0.119226 3C 1dz2 0.002882 0.005183 0.002919 0.011123 -0.005728 0.023932 3C 1dxz 0.004080 -0.017346 -0.014931 0.010238 -0.005505 0.017809 3C 1dyz -0.002257 -0.006201 -0.005447 -0.017662 0.011470 -0.025276 3C 1dx2y2 -0.003949 0.001310 0.002158 0.018421 -0.010688 0.028449 3C 1dxy -0.001402 0.004517 0.003835 0.006280 -0.001393 0.009887 3C 2dz2 -0.006992 -0.032619 -0.031668 0.000981 0.008814 -0.023996 3C 2dxz 0.024860 -0.049288 -0.048746 0.010870 -0.028117 -0.015675 3C 2dyz -0.065508 0.022270 0.019439 -0.031047 0.015608 -0.023217 3C 2dx2y2 -0.043304 0.112521 0.087816 0.070537 0.024067 0.096526 3C 2dxy -0.044590 -0.082353 -0.078924 0.032810 0.023205 0.067607 3C 1f0 0.014881 0.009057 0.003774 0.027708 -0.006935 0.041607 3C 1f+1 0.005386 0.011724 0.009487 0.042103 -0.011909 0.055946 3C 1f-1 -0.002902 0.010256 0.012403 -0.025683 0.005985 -0.030525 3C 1f+2 0.013970 -0.002348 0.001253 -0.040696 0.017403 -0.060743 3C 1f-2 0.007361 -0.024152 -0.021890 -0.026666 0.006945 -0.035065 3C 1f+3 -0.001957 -0.008027 -0.010306 0.007327 -0.000764 0.010700 3C 1f-3 -0.001682 -0.006705 -0.006967 0.028707 -0.020389 0.032139 4C 1s -0.003995 0.000389 -0.000749 0.000655 -0.001865 0.007750 4C 2s -0.003509 0.000890 -0.001228 0.000961 -0.002983 0.012621 4C 3s -0.172347 0.007029 -0.026905 0.015452 0.066646 -0.143385 4C 4s 1.419459 -0.019784 0.093643 -0.106605 -0.195848 0.301076 4C 5s 0.212620 0.006811 0.017309 0.059066 0.096499 0.040533 4C 1pz -0.019886 0.065099 -0.082780 -0.008711 0.009741 -0.034447 4C 1px 0.006105 -0.198184 0.245186 0.020180 0.009313 -0.033578 4C 1py -0.007622 -0.036009 0.041832 0.009360 0.020843 -0.030123 4C 2pz 0.544168 0.081420 -0.049255 -0.179156 -0.307480 0.210244 4C 2px 0.016138 -0.413743 0.489298 0.000609 -0.094729 -0.096350 4C 2py 0.326713 -0.095582 0.127333 0.181331 0.155990 0.240485 4C 3pz -0.382163 -0.022936 0.002980 0.041923 -0.227159 0.560372 4C 3px -0.044208 0.010241 0.005254 0.045167 -0.016652 0.142723 4C 3py -0.263504 -0.006248 0.018925 -0.151526 -0.226819 0.351176 4C 1dz2 0.032275 0.117328 -0.125575 -0.095923 -0.125816 0.008217 4C 1dxz 0.016935 -0.203959 0.234604 -0.009646 -0.045830 0.000700 4C 1dyz 0.066563 -0.006137 -0.011030 0.040399 0.051994 0.032935 4C 1dx2y2 -0.007225 -0.031206 0.017882 -0.048873 -0.040741 -0.089161 4C 1dxy 0.018442 -0.115135 0.188874 0.003312 -0.009501 -0.042789 4C 2dz2 -0.270432 -0.081509 0.122873 -0.032773 -0.000626 -0.085206 4C 2dxz -0.324141 0.188081 -0.272642 -0.002760 0.030559 -0.102759 4C 2dyz -0.272926 -0.003910 0.008537 0.041962 0.061337 -0.036817 4C 2dx2y2 0.365189 -0.021868 0.036656 -0.059683 -0.101037 0.093194 4C 2dxy 0.029878 0.123612 -0.172472 -0.023874 -0.040677 0.011327 4C 1f0 -0.027559 -0.018368 0.026595 0.058980 0.061231 0.003498 4C 1f+1 -0.057910 0.012484 -0.039854 0.147469 0.196121 0.055873 4C 1f-1 -0.031803 0.026758 -0.044375 -0.014474 -0.016378 0.003901 4C 1f+2 0.063401 0.072063 -0.086917 -0.059441 -0.069260 0.005958 4C 1f-2 -0.014755 -0.020253 0.050468 -0.163086 -0.211669 -0.070324 4C 1f+3 0.002402 0.108002 -0.121296 0.158384 0.202934 0.111278 4C 1f-3 -0.052139 0.080613 -0.090554 -0.208959 -0.242484 -0.104829 5C 1s -0.003937 0.000893 0.000174 0.000604 -0.007242 -0.002088 5C 2s -0.003464 0.001320 0.000308 0.000918 -0.011742 -0.003427 5C 3s -0.168838 0.019556 0.013014 0.018803 0.138132 0.079421 5C 4s 1.407544 -0.096070 -0.060350 -0.111152 -0.303602 -0.227371 5C 5s 0.204462 -0.041471 -0.073022 0.106500 -0.029000 0.170986 5C 1pz -0.002571 0.081907 0.073389 0.008252 0.020377 0.018118 5C 1px -0.018550 -0.242079 -0.220001 -0.009659 0.016272 0.006883 5C 1py 0.014355 -0.051149 -0.045164 -0.000770 -0.040298 -0.012489 5C 2pz 0.298453 0.082528 0.112718 0.175933 -0.254292 0.193524 5C 2px 0.197325 -0.511129 -0.508286 -0.041512 -0.042747 -0.062491 5C 2py -0.499552 0.037411 -0.021127 0.138480 0.181245 0.289366 5C 3pz -0.238755 -0.001598 0.033508 -0.156126 -0.301132 -0.248797 5C 3px -0.166545 -0.000708 0.030554 -0.027484 -0.187589 -0.105258 5C 3py 0.368008 0.005008 -0.034025 -0.038868 0.551528 0.274180 5C 1dz2 -0.008137 0.088399 0.055545 0.079272 -0.066747 0.105412 5C 1dxz 0.006258 -0.120297 -0.077260 0.019235 -0.049124 0.009513 5C 1dyz -0.065962 -0.100375 -0.097465 -0.038384 0.018729 -0.053788 5C 1dx2y2 -0.032716 -0.135794 -0.124652 0.045074 0.038620 0.093308 5C 1dxy -0.025941 0.227971 0.238662 0.016113 0.019483 0.014074 5C 2dz2 -0.105710 -0.064221 -0.065559 0.066884 0.015991 0.094163 5C 2dxz -0.257698 0.171073 0.135249 0.036098 0.076405 0.057993 5C 2dyz 0.176901 0.096095 0.083495 -0.030138 -0.005837 -0.037502 5C 2dx2y2 0.453812 0.072046 0.068394 -0.002753 -0.128473 -0.064120 5C 2dxy 0.234310 -0.247378 -0.204289 -0.008847 -0.066793 -0.018024 5C 1f0 -0.009666 -0.088223 -0.096550 -0.088076 0.059181 -0.106303 5C 1f+1 -0.049407 0.089734 0.100386 -0.187811 0.111187 -0.256502 5C 1f-1 0.005532 -0.021896 -0.011224 -0.064856 0.037433 -0.097931 5C 1f+2 0.032463 0.066923 0.059690 0.164256 -0.075270 0.226987 5C 1f-2 0.057757 0.084701 0.076135 -0.012423 -0.008350 -0.022390 5C 1f+3 -0.047988 0.089062 0.061194 0.031535 -0.000003 0.054794 5C 1f-3 0.051826 0.004326 0.013805 -0.167669 0.060642 -0.229499 6C 1s -0.003920 0.000865 0.000142 0.000448 0.007259 0.002116 6C 2s -0.003444 0.001281 0.000261 0.000659 0.011758 0.003487 6C 3s -0.168354 0.020116 0.013981 0.023747 -0.137590 -0.078528 6C 4s 1.404567 -0.096896 -0.062945 -0.124761 0.298769 0.224143 6C 5s 0.204438 -0.043587 -0.074658 0.112551 0.026376 -0.159216 6C 1pz 0.002596 -0.081837 -0.073392 -0.009251 0.020006 0.017890 6C 1px 0.018514 0.241052 0.219475 0.008849 0.017140 0.006879 6C 1py -0.014410 0.051211 0.045241 0.001534 -0.040044 -0.012612 6C 2pz -0.299279 -0.080054 -0.109694 -0.186109 -0.253868 0.181960 6C 2px -0.195736 0.509557 0.504296 0.042580 -0.039277 -0.061836 6C 2py 0.499086 -0.040414 0.019477 -0.156021 0.178998 0.282403 6C 3pz 0.239439 0.001656 -0.033850 0.169907 -0.302978 -0.237570 6C 3px 0.166969 0.001682 -0.030095 0.033038 -0.187537 -0.101781 6C 3py -0.368885 -0.005615 0.033957 0.022765 0.554251 0.273941 6C 1dz2 -0.007807 0.088178 0.055083 0.085248 0.067343 -0.100821 6C 1dxz 0.006399 -0.120454 -0.077515 0.019664 0.048577 -0.007955 6C 1dyz -0.066056 -0.099990 -0.097043 -0.041412 -0.019029 0.051551 6C 1dx2y2 -0.032659 -0.135089 -0.124274 0.050828 -0.038988 -0.090178 6C 1dxy -0.025838 0.227068 0.237989 0.016278 -0.018554 -0.013395 6C 2dz2 -0.104751 -0.063729 -0.065596 0.072171 -0.015795 -0.090291 6C 2dxz -0.257953 0.171747 0.136228 0.039437 -0.075033 -0.056403 6C 2dyz 0.176719 0.095789 0.084282 -0.032180 0.005561 0.036398 6C 2dx2y2 0.452962 0.070554 0.067934 -0.006354 0.127430 0.065242 6C 2dxy 0.234833 -0.248210 -0.206141 -0.010412 0.065038 0.018343 6C 1f0 0.010012 0.087496 0.095606 0.093562 0.059406 -0.100584 6C 1f+1 0.049850 -0.089389 -0.100709 0.203104 0.111245 -0.245083 6C 1f-1 -0.005231 0.022043 0.011089 0.070541 0.037725 -0.094004 6C 1f+2 -0.033103 -0.066454 -0.058566 -0.177021 -0.075650 0.216878 6C 1f-2 -0.057687 -0.084676 -0.076037 0.013828 -0.008608 -0.021617 6C 1f+3 0.047614 -0.088998 -0.061048 -0.034578 -0.000659 0.053328 6C 1f-3 -0.051234 -0.004263 -0.014328 0.180797 0.061093 -0.219058 7C 1s -0.004005 0.000389 -0.000784 0.001100 0.001906 -0.007672 7C 2s -0.003521 0.000891 -0.001291 0.001693 0.003034 -0.012497 7C 3s -0.173355 0.007256 -0.025851 0.006104 -0.065132 0.143993 7C 4s 1.424358 -0.020117 0.089576 -0.086007 0.187497 -0.305594 7C 5s 0.212798 0.006385 0.018033 0.059595 -0.090779 -0.034751 7C 1pz 0.019858 -0.064605 0.082215 0.011138 0.009781 -0.034110 7C 1px -0.005914 0.196837 -0.244399 -0.018152 0.008565 -0.033644 7C 1py 0.008056 0.035665 -0.041746 -0.007382 0.020678 -0.030537 7C 2pz -0.545133 -0.079433 0.048278 0.163542 -0.303680 0.219992 7C 2px -0.017344 0.410206 -0.482960 0.005148 -0.096226 -0.094753 7C 2py -0.330327 0.095157 -0.126211 -0.197454 0.156808 0.229862 7C 3pz 0.383675 0.022176 0.000450 -0.078665 -0.222805 0.559102 7C 3px 0.043370 -0.008582 -0.005240 -0.053897 -0.016316 0.139665 7C 3py 0.264434 0.006262 -0.016951 0.128118 -0.224821 0.363193 7C 1dz2 0.032546 0.116156 -0.124875 -0.095250 0.125284 -0.013086 7C 1dxz 0.017079 -0.202463 0.232765 -0.009329 0.046252 -0.002447 7C 1dyz 0.066944 -0.005695 -0.011600 0.042344 -0.051771 -0.030259 7C 1dx2y2 -0.007485 -0.030575 0.017249 -0.054657 0.040779 0.085816 7C 1dxy 0.018574 -0.115249 0.189483 0.000615 0.010120 0.042141 7C 2dz2 -0.270377 -0.081429 0.123786 -0.038859 0.002829 0.081545 7C 2dxz -0.324002 0.188704 -0.273710 -0.010156 -0.028794 0.104064 7C 2dyz -0.273480 -0.003696 0.008623 0.038962 -0.060218 0.038793 7C 2dx2y2 0.367041 -0.022211 0.036160 -0.052496 0.098113 -0.096917 7C 2dxy 0.030138 0.123413 -0.173501 -0.023095 0.039918 -0.011138 7C 1f0 0.028114 0.018445 -0.027141 -0.059264 0.061236 -0.000200 7C 1f+1 0.058575 -0.012898 0.039974 -0.150857 0.196162 0.046954 7C 1f-1 0.031897 -0.027102 0.044715 0.014360 -0.016554 0.004519 7C 1f+2 -0.063653 -0.071686 0.086808 0.059273 -0.069189 0.008978 7C 1f-2 0.014420 0.021170 -0.050791 0.167091 -0.211305 -0.059732 7C 1f+3 -0.002276 -0.107000 0.119519 -0.164995 0.202803 0.100784 7C 1f-3 0.052292 -0.079895 0.089903 0.215438 -0.242100 -0.092387 8C 1s 0.000250 -0.000784 -0.000637 -0.000978 0.000142 0.001597 8C 2s -0.000199 -0.000923 -0.000749 -0.000136 0.000603 0.000764 8C 3s -0.002785 -0.001251 -0.002612 -0.040679 -0.050972 0.040676 8C 4s 0.312424 -0.037378 -0.015098 0.142003 0.281098 -0.123706 8C 5s -0.283588 0.075893 0.142217 -0.274983 0.545813 0.602884 8C 1pz -0.000521 -0.012459 -0.009959 -0.008302 0.001291 0.016410 8C 1px 0.000244 0.032852 0.030811 -0.000479 0.001770 0.004042 8C 1py 0.000643 0.005426 0.004185 -0.000334 -0.008647 0.000178 8C 2pz -0.160756 0.183875 0.152406 0.111950 -0.068520 -0.192534 8C 2px -0.116061 -0.333869 -0.315316 0.005529 -0.040848 -0.042511 8C 2py 0.279144 -0.144886 -0.112701 0.008233 0.147918 0.033541 8C 3pz 0.041065 -0.028074 -0.028100 -0.035093 -0.097861 -0.040880 8C 3px 0.065343 0.053980 0.065813 0.004638 -0.050700 -0.029602 8C 3py -0.152025 0.017064 0.043826 -0.066160 0.133680 0.114156 8C 1dz2 0.002919 0.004943 0.002618 0.012476 0.005769 -0.023241 8C 1dxz 0.004142 -0.017236 -0.014874 0.011551 0.005569 -0.017353 8C 1dyz -0.002342 -0.006162 -0.005400 -0.018996 -0.011497 0.024122 8C 1dx2y2 -0.003909 0.001527 0.002254 0.019996 0.010727 -0.027163 8C 1dxy -0.001373 0.004667 0.003932 0.006912 0.001459 -0.009697 8C 2dz2 -0.007083 -0.033845 -0.032905 -0.000497 -0.008902 0.024058 8C 2dxz 0.024807 -0.049225 -0.048642 0.011129 0.028513 0.015275 8C 2dyz -0.065808 0.022060 0.019128 -0.032060 -0.015300 0.020820 8C 2dx2y2 -0.043189 0.113882 0.088855 0.075116 -0.023298 -0.091228 8C 2dxy -0.044216 -0.080742 -0.078070 0.037072 -0.023469 -0.065853 8C 1f0 -0.014965 -0.009549 -0.004070 -0.030133 -0.007043 0.039918 8C 1f+1 -0.005632 -0.011449 -0.009150 -0.044648 -0.011786 0.052515 8C 1f-1 0.002991 -0.010161 -0.012427 0.027697 0.006163 -0.029298 8C 1f+2 -0.013733 0.002418 -0.001259 0.043819 0.017291 -0.057785 8C 1f-2 -0.007288 0.024221 0.021951 0.028331 0.006976 -0.033022 8C 1f+3 0.001919 0.007682 0.009968 -0.007883 -0.000784 0.010013 8C 1f-3 0.001573 0.006808 0.007159 -0.030661 -0.020529 0.030306 9C 1s 0.000366 -0.000916 0.001251 -0.000461 0.001002 -0.000323 9C 2s -0.000087 -0.001009 0.001403 0.000072 0.000527 -0.000707 9C 3s -0.000835 -0.007826 0.011734 -0.025018 0.015449 0.047997 9C 4s 0.309378 0.024050 -0.033727 0.086733 -0.014565 -0.270080 9C 5s -0.288247 0.042028 -0.091949 -0.129135 0.444587 -0.578792 9C 1pz 0.000212 -0.008112 0.009401 0.002907 -0.000466 -0.009467 9C 1px -0.002755 0.027846 -0.035717 -0.000532 -0.003377 -0.003093 9C 1py -0.000508 0.004796 -0.004635 -0.007746 0.015534 -0.002089 9C 2pz -0.297502 0.134849 -0.174420 -0.036858 -0.041740 0.161674 9C 2px -0.028070 -0.294764 0.385947 -0.003149 0.031336 0.033510 9C 2py -0.190253 -0.013101 0.013389 0.093476 -0.181697 0.075456 9C 3pz 0.136308 -0.021790 0.023982 0.043516 -0.095786 0.143878 9C 3px 0.069684 0.054171 -0.071456 0.015193 -0.018277 0.011793 9C 3py 0.078149 0.016450 0.004239 -0.048578 -0.029508 0.104741 9C 1dz2 0.002547 -0.000038 0.002230 -0.019525 0.029344 0.006923 9C 1dxz 0.003808 -0.011993 0.011558 -0.016264 0.023417 0.012154 9C 1dyz 0.001692 0.003845 -0.006466 0.011088 -0.014732 -0.009586 9C 1dx2y2 -0.005835 0.007623 -0.010105 -0.017528 0.025080 0.005558 9C 1dxy -0.000460 -0.005274 0.005961 0.010412 -0.008985 -0.001850 9C 2dz2 0.054222 -0.065633 0.090916 -0.028184 0.034584 -0.026323 9C 2dxz 0.016667 0.023935 -0.029673 -0.057010 0.077675 -0.014338 9C 2dyz 0.074561 0.015585 -0.019817 0.000003 0.029033 -0.028683 9C 2dx2y2 -0.035550 0.084130 -0.102951 -0.030082 -0.007387 0.026318 9C 2dxy 0.004176 0.053608 -0.075578 0.039643 -0.049988 -0.017018 9C 1f0 0.003145 -0.010905 0.007960 0.044415 -0.045309 -0.010593 9C 1f+1 -0.003842 -0.003498 0.009454 0.019448 -0.018359 -0.016505 9C 1f-1 0.017381 0.008557 -0.010220 -0.009915 0.010762 0.005561 9C 1f+2 -0.007520 0.020767 -0.026267 0.027039 -0.035382 -0.009054 9C 1f-2 0.010526 -0.011240 0.018052 -0.015982 0.019266 0.003299 9C 1f+3 0.000431 0.007586 -0.012469 0.035773 -0.047886 -0.014839 9C 1f-3 -0.005923 -0.005660 0.008323 -0.039672 0.047758 0.011285 10H 1s -0.003680 -0.043444 0.054320 -0.020396 -0.036012 -0.005934 10H 2s 0.068873 -0.169170 0.221990 -0.018543 -0.062420 0.000394 10H 3s -0.032532 0.046564 -0.059652 0.025025 0.044499 -0.009489 10H 1pz 0.007876 -0.051402 0.065308 -0.011585 -0.023292 -0.010573 10H 1px -0.014786 0.040288 -0.052598 0.009228 0.022276 0.000194 10H 1py 0.002645 -0.026437 0.034729 0.004511 0.000745 0.000314 11H 1s 0.003672 0.008347 -0.013997 0.009561 0.015325 -0.000514 11H 2s 0.027070 0.027342 -0.033111 0.080598 0.094719 0.015503 11H 3s -0.078549 -0.026968 0.052904 -0.003168 0.024620 -0.032036 11H 1pz -0.003736 0.007327 -0.007531 0.028112 0.033819 0.013925 11H 1px 0.008322 0.010464 -0.011795 0.008279 0.011361 -0.002115 11H 1py -0.018440 0.005652 -0.004677 -0.012696 -0.011983 -0.004957 12H 1s -0.001802 0.017025 -0.014835 -0.045096 -0.054393 -0.016255 12H 2s 0.033768 0.038758 -0.046420 -0.081281 -0.098667 -0.027462 12H 3s -0.055500 -0.048221 0.049401 0.052932 0.061843 -0.016856 12H 1pz -0.013910 0.005796 -0.010974 0.001377 0.001915 -0.002420 12H 1px 0.003659 0.011100 -0.014362 -0.005843 -0.004064 -0.006041 12H 1py 0.005927 0.013255 -0.015853 -0.044867 -0.058496 -0.013360 13H 1s -0.008289 -0.048304 -0.041752 -0.038242 0.003934 -0.056910 13H 2s 0.046603 -0.195888 -0.176563 -0.060608 -0.005397 -0.106451 13H 3s -0.033270 0.051132 0.054423 0.049235 0.008775 0.072924 13H 1pz 0.004882 -0.059380 -0.052023 -0.019105 -0.000558 -0.032517 13H 1px -0.009612 0.029451 0.026870 0.019671 -0.000881 0.031056 13H 1py 0.001449 0.046367 0.041948 0.019241 -0.009714 0.027944 14H 1s -0.002801 0.021549 0.025595 -0.046646 0.018233 -0.066051 14H 2s 0.041822 0.066177 0.065460 -0.064924 0.021163 -0.103720 14H 3s -0.049606 -0.046343 -0.067280 0.053666 0.014696 0.079849 14H 1pz 0.002468 0.016186 0.015456 -0.029032 0.006472 -0.047876 14H 1px 0.009688 0.025214 0.024413 -0.027293 0.012622 -0.041806 14H 1py 0.009415 -0.014917 -0.009194 -0.002896 -0.003526 -0.003340 15H 1s 0.005908 0.009165 0.005640 0.000519 0.007734 0.005025 15H 2s 0.026723 0.020153 0.016949 0.081640 0.002854 0.101395 15H 3s -0.084592 -0.033348 -0.027612 0.001822 0.026973 0.039949 15H 1pz -0.021261 0.000582 0.001969 -0.009450 -0.002075 -0.009986 15H 1px -0.001972 0.010141 0.011133 -0.000620 0.005487 0.000633 15H 1py 0.001058 -0.004988 -0.005780 -0.024954 0.006613 -0.031680 16H 1s -0.074166 -0.159889 0.054067 0.007149 0.027850 -0.013101 16H 2s -0.067697 -0.141414 0.049032 0.011365 0.012119 -0.106913 16H 3s 0.056112 0.042671 -0.020402 -0.002927 -0.007844 0.009046 16H 1pz -0.066242 -0.177035 0.057076 0.008984 0.019493 -0.037427 16H 1px -0.002309 0.003287 0.000523 0.000753 0.005326 -0.022168 16H 1py -0.033128 -0.072106 0.021916 0.003295 0.025426 -0.015281 17H 1s -0.085869 0.159519 -0.034401 -0.002865 -0.010039 0.051684 17H 2s -0.074022 0.134560 -0.017928 0.001403 -0.073070 -0.022062 17H 3s 0.056603 -0.042391 -0.000253 -0.000279 0.007019 -0.005461 17H 1pz 0.058492 -0.116661 0.024392 0.001101 0.026554 -0.013500 17H 1px 0.041072 -0.110757 0.026341 0.002022 -0.005926 -0.024521 17H 1py -0.048581 0.098163 -0.021542 -0.002250 -0.020285 0.033370 18H 1s -0.084685 0.159394 -0.039123 -0.001739 0.011243 -0.054683 18H 2s -0.069766 0.134427 -0.022198 -0.002037 0.072039 0.018922 18H 3s 0.056070 -0.043048 0.001179 -0.000284 -0.007321 0.006256 18H 1pz -0.058801 0.119277 -0.028522 -0.001918 0.027661 -0.016794 18H 1px -0.039327 0.110714 -0.029672 -0.002062 -0.005902 -0.026175 18H 1py 0.045588 -0.094605 0.023719 0.001522 -0.019872 0.034944 19H 1s -0.075751 -0.159485 0.058522 0.008597 -0.027863 0.015902 19H 2s -0.068878 -0.140873 0.053530 0.006633 -0.012713 0.109452 19H 3s 0.056575 0.041964 -0.021576 -0.002878 0.007817 -0.009510 19H 1pz 0.066541 0.174862 -0.061599 -0.009027 0.019617 -0.040094 19H 1px 0.001305 -0.004698 0.000030 0.000833 0.004326 -0.021755 19H 1py 0.036352 0.075869 -0.025484 -0.003586 0.025831 -0.018130 20H 1s 0.005871 0.009422 0.005780 0.001368 -0.007352 -0.005584 20H 2s 0.027168 0.020458 0.017035 0.087051 -0.002312 -0.096100 20H 3s -0.084283 -0.034234 -0.028050 0.003756 -0.027265 -0.039217 20H 1pz 0.021283 -0.000643 -0.002099 0.010155 -0.001924 -0.009556 20H 1px 0.001839 -0.010225 -0.011205 0.000621 0.005575 0.000699 20H 1py -0.000999 0.005107 0.005819 0.026907 0.006940 -0.030369 21H 1s -0.002899 0.021234 0.025439 -0.050014 -0.018214 0.062437 21H 2s 0.041179 0.064494 0.064315 -0.070972 -0.021681 0.098796 21H 3s -0.049779 -0.046201 -0.067279 0.057778 -0.015116 -0.075616 21H 1pz -0.002332 -0.015783 -0.015250 0.032078 0.006619 -0.046229 21H 1px -0.009489 -0.024698 -0.024011 0.029309 0.012603 -0.039297 21H 1py -0.009582 0.014825 0.009115 0.003172 -0.003315 -0.003325 22H 1s -0.008495 -0.048413 -0.041741 -0.040596 -0.003687 0.053664 22H 2s 0.046370 -0.196817 -0.177518 -0.065418 0.005097 0.101692 22H 3s -0.032650 0.050844 0.054076 0.052333 -0.009010 -0.068802 22H 1pz -0.004767 0.059254 0.051960 0.020097 -0.000574 -0.030349 22H 1px 0.009481 -0.029805 -0.027111 -0.021199 -0.000812 0.029709 22H 1py -0.001412 -0.046764 -0.042375 -0.020718 -0.009765 0.026761 23H 1s -0.001493 0.016546 -0.014665 -0.044791 0.052570 0.013452 23H 2s 0.033429 0.036661 -0.045029 -0.082752 0.096898 0.023778 23H 3s -0.056112 -0.047876 0.050259 0.050674 -0.059071 0.020111 23H 1pz 0.014175 -0.005583 0.010624 -0.001224 0.001791 -0.002390 23H 1px -0.003435 -0.010749 0.014177 0.005307 -0.002706 -0.005581 23H 1py -0.006017 -0.012464 0.015351 0.045342 -0.057577 -0.010910 24H 1s 0.003416 0.008542 -0.014363 0.010803 -0.016794 0.000309 24H 2s 0.027014 0.027561 -0.033077 0.080680 -0.094262 -0.011598 24H 3s -0.077614 -0.027322 0.054483 -0.006015 -0.022074 0.032046 24H 1pz 0.003796 -0.007547 0.007675 -0.029191 0.034194 0.012707 24H 1px -0.008403 -0.010456 0.011861 -0.008446 0.011902 -0.002362 24H 1py 0.018232 -0.005859 0.004902 0.013138 -0.012182 -0.004579 25H 1s -0.003526 -0.043374 0.054205 -0.018698 0.033838 0.003609 25H 2s 0.069930 -0.169394 0.222599 -0.015490 0.059130 -0.003857 25H 3s -0.032499 0.045972 -0.059217 0.022327 -0.041999 0.012213 25H 1pz -0.008144 0.051769 -0.065785 0.011385 -0.022363 -0.009098 25H 1px 0.014993 -0.040236 0.052565 -0.007821 0.020733 -0.001167 25H 1py -0.002539 0.025921 -0.034014 -0.005227 0.001835 0.000308 26O 1s -0.000023 0.001282 -0.001602 -0.000144 0.000065 0.000448 26O 2s -0.001089 0.007350 -0.009203 -0.000750 0.000129 0.002364 26O 3s 0.053250 -0.134766 0.170314 0.011214 -0.006248 -0.032677 26O 4s -0.299799 0.320043 -0.399856 -0.014144 0.059533 0.033982 26O 5s -0.293514 0.063190 -0.092104 0.001157 0.076793 -0.172419 26O 1pz -0.018600 0.028776 -0.044186 -0.022075 -0.026373 0.006239 26O 1px 0.022073 0.045365 -0.059994 -0.018717 -0.021424 0.018940 26O 1py -0.003391 0.053523 -0.046305 0.028167 0.030152 0.033990 26O 2pz 0.099195 -0.114440 0.158156 0.093280 0.097068 0.011566 26O 2px 0.070849 -0.232737 0.299352 0.075106 0.048817 -0.031610 26O 2py 0.087750 -0.211959 0.211712 -0.128911 -0.163724 -0.106545 26O 3pz 0.241154 -0.068677 0.063684 -0.015591 0.039231 0.024569 26O 3px 0.675872 0.001476 -0.027628 -0.035639 -0.062485 0.206413 26O 3py 0.389923 0.009195 0.068973 0.008227 -0.072321 0.066976 26O 1dz2 0.021309 -0.025705 0.101118 -0.099637 -0.119172 -0.083241 26O 1dxz -0.027801 0.023188 -0.018707 -0.109262 -0.137409 0.001207 26O 1dyz 0.010141 -0.050860 0.027475 0.036837 0.051212 -0.006650 26O 1dx2y2 0.002587 0.028396 -0.011778 -0.147772 -0.169344 -0.070714 26O 1dxy -0.016036 0.066506 -0.051812 0.064469 0.068140 0.068972 26O 2dz2 0.028841 -0.056895 0.043489 0.015355 0.012990 0.003193 26O 2dxz -0.027802 0.039746 -0.056690 -0.030744 -0.031062 -0.017096 26O 2dyz -0.007928 0.051659 -0.051906 -0.022623 -0.024876 0.005254 26O 2dx2y2 -0.027499 0.047353 -0.078415 -0.038070 -0.042444 -0.004357 26O 2dxy -0.044596 0.097035 -0.127622 0.042904 0.067258 0.038574 26O 1f0 -0.006487 0.031042 -0.010994 -0.031977 -0.056592 0.019678 26O 1f+1 -0.028998 0.097776 -0.107690 0.105659 0.140566 0.070891 26O 1f-1 -0.005463 0.001439 0.019984 0.097882 0.128785 0.026424 26O 1f+2 0.046588 0.074955 -0.058673 0.155618 0.194955 0.075944 26O 1f-2 -0.036010 -0.093436 0.135476 0.016468 0.034705 -0.071463 26O 1f+3 0.012439 0.015754 -0.069949 -0.228976 -0.271457 -0.123594 26O 1f-3 0.000881 0.207159 -0.253074 -0.024986 -0.030678 0.080873 27O 1s 0.000279 0.001751 0.001564 0.000230 -0.000135 0.000313 27O 2s -0.000063 0.009616 0.008728 0.001100 -0.000953 0.001244 27O 3s 0.042677 -0.174458 -0.158647 -0.021403 0.009967 -0.026446 27O 4s -0.289293 0.413179 0.380308 0.075564 0.034489 0.126722 27O 5s -0.448219 0.114869 0.079296 0.047060 0.130037 0.110099 27O 1pz -0.011949 0.016504 0.033002 0.032104 -0.017687 0.035458 27O 1px 0.019137 0.066826 0.064709 0.011039 -0.025271 0.000191 27O 1py 0.014394 -0.048900 -0.036575 0.017225 0.003192 0.027767 27O 2pz 0.043472 -0.060588 -0.099439 -0.139486 0.061849 -0.163239 27O 2px 0.116027 -0.342535 -0.317454 -0.076754 0.037880 -0.081486 27O 2py -0.107050 0.191262 0.153519 -0.068867 0.031293 -0.093869 27O 3pz 0.019617 -0.075812 -0.013905 0.032582 0.035535 -0.023356 27O 3px 0.747591 -0.030465 -0.052133 -0.033094 -0.190948 -0.111321 27O 3py -0.268237 0.063037 0.116153 0.018523 0.041819 -0.040177 27O 1dz2 0.001608 -0.013457 -0.072135 0.078153 -0.028137 0.113541 27O 1dxz -0.011053 0.021043 0.018610 0.131806 -0.078835 0.163798 27O 1dyz -0.020195 0.040316 0.066953 -0.068263 0.004497 -0.091805 27O 1dx2y2 -0.011531 0.099055 0.058528 0.097978 -0.065499 0.119529 27O 1dxy 0.021023 -0.031320 -0.014542 0.064347 0.000773 0.082317 27O 2dz2 0.031586 -0.098695 -0.066801 -0.032195 0.014778 -0.041668 27O 2dxz -0.002208 0.013645 0.020760 0.049464 -0.019496 0.069382 27O 2dyz -0.007451 -0.026875 -0.037782 -0.006274 0.011584 -0.010575 27O 2dx2y2 -0.044899 0.095427 0.102691 0.021437 -0.008310 0.022766 27O 2dxy 0.036030 -0.097939 -0.089366 0.026103 -0.021792 0.039753 27O 1f0 -0.008667 0.022113 0.041231 0.127203 -0.098404 0.160188 27O 1f+1 0.009436 0.209713 0.188429 -0.061460 -0.009627 -0.111252 27O 1f-1 -0.008604 -0.065719 -0.020089 0.067009 -0.012424 0.096977 27O 1f+2 0.018243 0.096956 0.056812 -0.120867 0.051673 -0.163630 27O 1f-2 0.073045 0.111401 0.129099 0.122967 -0.108319 0.142375 27O 1f+3 -0.000419 0.122367 0.129610 0.161269 -0.065583 0.219371 27O 1f-3 -0.000780 -0.115646 -0.104254 0.038832 0.036173 0.085395 28O 1s 0.000081 -0.000890 0.001095 0.000338 0.000345 -0.000432 28O 2s -0.000886 -0.005946 0.007186 0.001574 0.001152 -0.001447 28O 3s 0.056485 0.114502 -0.134944 -0.028624 -0.020269 0.028118 28O 4s -0.338374 -0.240835 0.263522 0.087981 0.088704 -0.146449 28O 5s -0.525587 -0.046198 -0.004930 0.054183 0.097224 -0.184324 28O 1pz -0.003737 -0.047470 0.071615 -0.016144 -0.031599 0.004307 28O 1px -0.019934 0.030631 -0.025129 -0.018922 -0.016854 -0.014715 28O 1py -0.009034 -0.034727 0.021465 0.041283 0.042443 0.022089 28O 2pz 0.162946 0.202383 -0.263535 0.050230 0.090885 0.076789 28O 2px -0.083363 -0.148072 0.125452 0.103226 0.103841 -0.003709 28O 2py 0.063461 0.113378 -0.075948 -0.179603 -0.198596 -0.063829 28O 3pz 0.572771 0.095353 -0.110768 -0.058930 -0.056431 0.152796 28O 3px -0.560537 0.044425 -0.031031 0.022352 0.102677 -0.187529 28O 3py 0.153212 0.018717 -0.120640 0.015445 -0.057579 0.000975 28O 1dz2 -0.015043 -0.027411 -0.000129 -0.166723 -0.211674 -0.069417 28O 1dxz 0.021670 0.052430 -0.103715 -0.023239 -0.000566 -0.026627 28O 1dyz 0.010091 0.026796 -0.034899 0.118248 0.153090 0.045933 28O 1dx2y2 0.001984 -0.059022 0.014565 -0.033233 -0.034287 -0.025361 28O 1dxy 0.019022 0.055611 -0.044715 -0.110672 -0.120794 -0.068364 28O 2dz2 -0.016785 -0.029461 0.064492 -0.023127 -0.036007 -0.024878 28O 2dxz 0.066482 0.102555 -0.107719 0.002448 0.013041 0.031227 28O 2dyz -0.008729 -0.055222 0.053876 0.036069 0.038845 0.009686 28O 2dx2y2 -0.027334 -0.031907 0.055462 0.034552 0.034989 0.010327 28O 2dxy 0.018971 0.017609 -0.012842 -0.057026 -0.074669 -0.015199 28O 1f0 -0.011917 -0.069535 0.011368 0.213489 0.263031 0.080501 28O 1f+1 -0.012836 -0.091870 0.139746 -0.120206 -0.195925 -0.026446 28O 1f-1 -0.050480 0.140817 -0.183898 -0.069918 -0.053292 -0.090120 28O 1f+2 -0.001251 0.120033 -0.183302 0.023103 0.040862 0.026107 28O 1f-2 0.025832 -0.082024 0.044436 0.188352 0.229251 0.114745 28O 1f+3 -0.023647 0.115234 -0.140714 0.047412 0.069612 0.029946 28O 1f-3 -0.043835 -0.004214 -0.021495 0.097265 0.131495 0.046010 29O 1s -0.005210 -0.000163 0.000139 0.000120 -0.000472 -0.000662 29O 2s -0.013555 -0.000486 0.000272 0.000304 -0.001494 -0.002107 29O 3s 0.103908 0.004425 0.000430 -0.002042 0.016754 0.022238 29O 4s -0.342961 -0.010502 0.007176 0.009138 -0.043570 -0.048506 29O 5s 1.159799 0.019846 -0.070538 -0.042177 0.078203 0.091520 29O 1pz 0.020030 0.061892 -0.019141 -0.002449 -0.005394 0.012153 29O 1px -0.052028 0.021379 -0.000964 0.000425 -0.002687 0.002662 29O 1py 0.025629 -0.003672 0.008136 0.000011 -0.002806 -0.007105 29O 2pz -0.060670 -0.359728 0.105678 0.013678 0.036552 -0.072957 29O 2px 0.161620 -0.127524 0.017765 -0.000203 0.017351 -0.016046 29O 2py -0.122049 0.027348 -0.017921 0.001624 0.008579 0.025113 29O 3pz 0.168793 0.015783 -0.016891 -0.003640 0.065190 -0.057080 29O 3px -0.485578 -0.001504 0.023503 0.013616 0.031169 0.017789 29O 3py -0.046059 0.002698 0.048250 0.008327 -0.062680 -0.096537 29O 1dz2 0.143378 0.112350 -0.043749 -0.008013 -0.009747 -0.010501 29O 1dxz 0.164874 -0.114563 0.025884 -0.001498 -0.016303 -0.005406 29O 1dyz 0.016659 0.131496 -0.051584 -0.005723 -0.051264 0.028863 29O 1dx2y2 -0.165171 -0.041921 0.007130 0.005420 -0.015874 -0.015097 29O 1dxy -0.095769 0.073161 0.030344 0.001159 0.013537 0.065359 29O 2dz2 -0.032500 0.042134 -0.009271 -0.000354 -0.013414 0.020499 29O 2dxz -0.049341 -0.033167 0.008565 0.002951 0.018975 -0.019477 29O 2dyz -0.003763 0.094581 -0.019224 -0.002779 0.004339 0.019507 29O 2dx2y2 0.077141 -0.005704 0.003720 -0.001718 0.010968 -0.002140 29O 2dxy 0.000248 0.034528 -0.028078 -0.001262 -0.014290 -0.014952 29O 1f0 -0.030559 -0.015113 0.012398 0.001703 0.013887 -0.001383 29O 1f+1 -0.010054 -0.024310 0.004846 0.000669 -0.014540 0.007303 29O 1f-1 -0.084757 -0.112094 0.043858 0.006197 0.024889 -0.003838 29O 1f+2 -0.040173 0.053608 -0.020981 -0.000971 0.022678 0.000047 29O 1f-2 -0.083433 0.157269 -0.025989 -0.002848 -0.020772 0.057595 29O 1f+3 -0.063728 -0.053191 0.007325 0.001646 -0.003026 0.006340 29O 1f-3 -0.002372 -0.070341 0.030559 0.002438 0.023957 -0.010972 30O 1s -0.000195 -0.001119 -0.001250 -0.000204 0.000232 -0.000330 30O 2s -0.001783 -0.007155 -0.007479 -0.000761 0.000484 -0.001229 30O 3s 0.063808 0.132968 0.137659 0.008568 -0.011553 0.011623 30O 4s -0.333225 -0.262117 -0.291140 -0.009646 0.093669 0.003650 30O 5s -0.354532 0.027876 -0.044993 0.022981 0.205035 0.102523 30O 1pz 0.001624 -0.043793 -0.058422 0.031649 -0.027839 0.042026 30O 1px -0.023444 0.021931 0.019091 0.009351 0.002463 0.010478 30O 1py 0.007909 0.064467 0.045904 0.025902 0.007325 0.036159 30O 2pz 0.088795 0.173809 0.225019 -0.140997 0.062317 -0.200553 30O 2px -0.033747 -0.107451 -0.117197 -0.037080 0.032440 -0.035431 30O 2py -0.138250 -0.234157 -0.193386 -0.107227 0.045303 -0.127046 30O 3pz 0.473430 0.065163 -0.005579 0.012878 -0.098158 -0.082283 30O 3px -0.441668 0.084912 0.051759 0.018837 0.180703 0.055620 30O 3py -0.527110 -0.072829 -0.103161 0.035417 0.135442 0.018216 30O 1dz2 -0.000284 -0.032881 -0.012947 0.183606 -0.108750 0.225935 30O 1dxz 0.014896 0.052823 0.098342 -0.026712 0.034761 -0.039108 30O 1dyz -0.001067 0.011873 -0.008097 -0.061011 0.028356 -0.081826 30O 1dx2y2 0.020879 -0.014965 0.009429 0.083689 -0.015768 0.125710 30O 1dxy -0.034259 -0.087042 -0.057455 -0.061890 -0.008761 -0.114777 30O 2dz2 0.003553 0.025377 0.002254 0.034533 -0.013452 0.058027 30O 2dxz 0.037302 0.073542 0.065762 -0.041616 0.015026 -0.062954 30O 2dyz 0.037298 0.099366 0.108819 -0.000914 0.001411 -0.002266 30O 2dx2y2 0.003175 0.017865 -0.000948 -0.000795 -0.006744 -0.001530 30O 2dxy -0.052511 -0.070145 -0.071236 -0.039082 0.031433 -0.043225 30O 1f0 0.015131 -0.235375 -0.200571 -0.101848 -0.005882 -0.155661 30O 1f+1 -0.023500 0.002544 -0.028997 0.157167 -0.092148 0.231891 30O 1f-1 0.024705 -0.043515 -0.111237 0.203560 -0.131797 0.278104 30O 1f+2 0.011915 -0.038424 -0.008432 -0.029667 -0.035187 -0.068773 30O 1f-2 -0.005218 0.199818 0.177145 -0.020417 0.053293 -0.029851 30O 1f+3 -0.042218 0.022556 0.041291 -0.117509 0.044553 -0.177031 30O 1f-3 0.041547 0.063039 0.066315 -0.011962 -0.005311 -0.010587 31O 1s -0.000200 -0.001093 -0.001225 -0.000214 -0.000243 0.000320 31O 2s -0.001801 -0.007061 -0.007384 -0.000796 -0.000530 0.001197 31O 3s 0.064040 0.131710 0.136277 0.008746 0.012148 -0.011288 31O 4s -0.334013 -0.258711 -0.286738 -0.008171 -0.094393 -0.004176 31O 5s -0.353207 0.029538 -0.042938 0.030506 -0.203586 -0.101977 31O 1pz -0.001776 0.043593 0.058360 -0.034111 -0.027750 0.039883 31O 1px 0.023423 -0.021746 -0.018925 -0.009873 0.002271 0.010178 31O 1py -0.007905 -0.064402 -0.045753 -0.027962 0.007059 0.034739 31O 2pz -0.088211 -0.172485 -0.224062 0.153019 0.062254 -0.191327 31O 2px 0.034000 0.106319 0.115602 0.038574 0.032973 -0.033911 31O 2py 0.138345 0.233129 0.191792 0.114144 0.046018 -0.121121 31O 3pz -0.473663 -0.065008 0.006082 -0.006756 -0.097513 -0.085525 31O 3px 0.441385 -0.085710 -0.053253 -0.022623 0.179001 0.056102 31O 3py 0.527067 0.072252 0.102262 -0.037102 0.134951 0.018622 31O 1dz2 0.000384 -0.032907 -0.013650 0.196646 0.109217 -0.215109 31O 1dxz 0.014858 0.052447 0.097887 -0.029337 -0.034689 0.037609 31O 1dyz -0.001368 0.011664 -0.007935 -0.065971 -0.028480 0.078109 31O 1dx2y2 0.021334 -0.014775 0.009203 0.091030 0.015845 -0.120495 31O 1dxy -0.034647 -0.087266 -0.057446 -0.068945 0.008281 0.111091 31O 2dz2 0.003668 0.025362 0.002090 0.037975 0.013599 -0.055895 31O 2dxz 0.037109 0.073210 0.065621 -0.045402 -0.014948 0.060310 31O 2dyz 0.037381 0.098928 0.108329 -0.001169 -0.001081 0.002005 31O 2dx2y2 0.003175 0.017668 -0.001018 -0.000933 0.006784 0.001469 31O 2dxy -0.052541 -0.069673 -0.070573 -0.041294 -0.031673 0.040991 31O 1f0 -0.014881 0.234964 0.200053 0.110815 -0.004746 -0.149826 31O 1f+1 0.023030 -0.002804 0.029377 -0.171037 -0.092800 0.222697 31O 1f-1 -0.025386 0.043532 0.112086 -0.219691 -0.131829 0.265335 31O 1f+2 -0.011779 0.038756 0.008552 0.033844 -0.034774 -0.066949 31O 1f-2 0.005408 -0.199119 -0.176897 0.022440 0.052559 -0.028087 31O 1f+3 0.042611 -0.022610 -0.041772 0.127893 0.044776 -0.170013 31O 1f-3 -0.041657 -0.063017 -0.066349 0.012223 -0.005603 -0.009223 32O 1s -0.005207 -0.000172 0.000135 0.000081 0.000474 0.000648 32O 2s -0.013547 -0.000514 0.000262 0.000177 0.001496 0.002067 32O 3s 0.103923 0.004786 0.000496 -0.000704 -0.016816 -0.021838 32O 4s -0.342746 -0.011406 0.007031 0.006350 0.044393 0.047345 32O 5s 1.157102 0.020522 -0.070189 -0.036983 -0.080464 -0.089094 32O 1pz -0.020041 -0.061953 0.021114 0.002617 -0.005559 0.013451 32O 1px 0.052086 -0.021210 0.001674 -0.000288 -0.002934 0.003234 32O 1py -0.025480 0.001989 -0.007828 0.000427 -0.002961 -0.006881 32O 2pz 0.061420 0.360151 -0.116637 -0.014279 0.037647 -0.080012 32O 2px -0.161149 0.126224 -0.021480 -0.000560 0.017983 -0.018675 32O 2py 0.121180 -0.018076 0.016186 -0.003108 0.009703 0.023695 32O 3pz -0.166924 -0.015884 0.017704 0.007808 0.065474 -0.055913 32O 3px 0.485780 0.001169 -0.022749 -0.014960 0.029720 0.019011 32O 3py 0.045236 -0.003666 -0.048139 -0.002169 -0.061867 -0.096433 32O 1dz2 0.144229 0.105688 -0.044222 -0.009702 0.008274 0.010423 32O 1dxz 0.164455 -0.117865 0.029318 -0.000730 0.015162 0.008390 32O 1dyz 0.021041 0.133609 -0.056805 -0.006175 0.052244 -0.031379 32O 1dx2y2 -0.164953 -0.045440 0.008652 0.004850 0.015221 0.016645 32O 1dxy -0.094150 0.070175 0.029117 0.004454 -0.013507 -0.065508 32O 2dz2 -0.031807 0.038215 -0.009711 0.000319 0.013571 -0.020668 32O 2dxz -0.049438 -0.035028 0.010539 0.002531 -0.019055 0.020486 32O 2dyz -0.002784 0.095853 -0.022283 -0.002822 -0.003794 -0.021369 32O 2dx2y2 0.077230 -0.008222 0.004958 -0.001572 -0.011347 0.002856 32O 2dxy 0.000950 0.032716 -0.028687 -0.002694 0.014111 0.014629 32O 1f0 0.027075 0.009114 -0.010371 -0.001459 0.011703 -0.001363 32O 1f+1 0.007182 0.028528 -0.006040 -0.001329 -0.013513 0.005265 32O 1f-1 0.088829 0.109561 -0.046548 -0.007558 0.026194 -0.005423 32O 1f+2 0.035471 -0.053352 0.022756 0.001761 0.022414 -0.000884 32O 1f-2 0.080751 -0.159522 0.031491 0.001328 -0.021605 0.060549 32O 1f+3 0.066721 0.046911 -0.006890 -0.002560 -0.003842 0.007709 32O 1f-3 0.003900 0.071797 -0.033321 -0.002848 0.023744 -0.012179 33O 1s 0.000090 -0.000859 0.001068 0.000308 -0.000328 0.000458 33O 2s -0.000863 -0.005828 0.007081 0.001473 -0.001078 0.001539 33O 3s 0.056415 0.112901 -0.133474 -0.026547 0.018935 -0.029523 33O 4s -0.338841 -0.236731 0.259784 0.077153 -0.084002 0.151048 33O 5s -0.527185 -0.046580 -0.005775 0.041067 -0.093618 0.188429 33O 1pz 0.003703 0.047138 -0.071201 0.015837 -0.031992 0.005542 33O 1px 0.019860 -0.030200 0.024692 0.019847 -0.016723 -0.013449 33O 1py 0.009057 0.034428 -0.021205 -0.042646 0.042225 0.019767 33O 2pz -0.163219 -0.200384 0.261313 -0.055838 0.093689 0.072885 33O 2px 0.084288 0.146079 -0.123326 -0.102260 0.102050 -0.010314 33O 2py -0.064036 -0.112157 0.075043 0.183273 -0.197503 -0.053245 33O 3pz -0.571444 -0.095373 0.112314 0.048591 -0.052740 0.153503 33O 3px 0.561044 -0.044554 0.030418 -0.009976 0.100203 -0.187568 33O 3py -0.153339 -0.019045 0.122141 -0.015374 -0.056755 -0.001207 33O 1dz2 -0.014532 -0.027514 -0.000551 -0.171272 0.211758 0.059393 33O 1dxz 0.021590 0.052553 -0.103910 -0.024415 -0.000515 0.025494 33O 1dyz 0.009926 0.027307 -0.035210 0.120445 -0.152354 -0.037864 33O 1dx2y2 0.002042 -0.058131 0.013546 -0.034924 0.034289 0.023218 33O 1dxy 0.019061 0.054951 -0.043926 -0.114918 0.120605 0.062143 33O 2dz2 -0.016631 -0.029051 0.064048 -0.024880 0.036584 0.023211 33O 2dxz 0.066647 0.101632 -0.106843 0.004732 -0.014030 -0.030651 33O 2dyz -0.008884 -0.055054 0.053807 0.036484 -0.038378 -0.007757 33O 2dx2y2 -0.027571 -0.031773 0.055394 0.035014 -0.034457 -0.008418 33O 2dxy 0.019258 0.017409 -0.012928 -0.057939 0.074410 0.011600 33O 1f0 0.012657 0.069529 -0.012314 -0.218228 0.262766 0.067683 33O 1f+1 0.012249 0.091270 -0.139024 0.122519 -0.197477 -0.019252 33O 1f-1 0.050832 -0.140510 0.183657 0.074679 -0.051283 -0.086458 33O 1f+2 0.000816 -0.118737 0.182174 -0.025260 0.041858 0.024133 33O 1f-2 -0.026051 0.081163 -0.044115 -0.195108 0.228106 0.103180 33O 1f+3 0.023558 -0.114793 0.140210 -0.049699 0.070267 0.026380 33O 1f-3 0.044017 0.003522 0.022080 -0.100238 0.131426 0.040054 34O 1s 0.000284 0.001733 0.001555 0.000240 0.000146 -0.000304 34O 2s -0.000037 0.009548 0.008687 0.001134 0.001009 -0.001203 34O 3s 0.042181 -0.173588 -0.157977 -0.022326 -0.010996 0.025651 34O 4s -0.287612 0.411740 0.378749 0.081294 -0.031477 -0.123670 34O 5s -0.445192 0.115987 0.077580 0.052347 -0.128214 -0.109539 34O 1pz 0.011895 -0.016334 -0.032795 -0.033960 -0.017776 0.033540 34O 1px -0.019180 -0.066470 -0.064403 -0.010736 -0.025471 -0.000319 34O 1py -0.014512 0.048932 0.036653 -0.018798 0.003341 0.026563 34O 2pz -0.043179 0.059919 0.098561 0.148243 0.062207 -0.154746 34O 2px -0.114873 0.341296 0.315677 0.079852 0.039693 -0.078069 34O 2py 0.107369 -0.191424 -0.153779 0.074376 0.030485 -0.088783 34O 3pz -0.019901 0.075912 0.014127 -0.030367 0.036325 -0.025164 34O 3px -0.746872 0.031189 0.051888 0.040132 -0.187501 -0.111401 34O 3py 0.268057 -0.062847 -0.117010 -0.016038 0.039967 -0.040666 34O 1dz2 0.001984 -0.013217 -0.071983 0.084944 0.028057 -0.108160 34O 1dxz -0.010412 0.020500 0.017528 0.140980 0.078903 -0.155232 34O 1dyz -0.020276 0.040695 0.067455 -0.073451 -0.004402 0.087540 34O 1dx2y2 -0.010897 0.098529 0.057709 0.104697 0.066059 -0.113433 34O 1dxy 0.021008 -0.031482 -0.014900 0.068847 -0.001026 -0.077838 34O 2dz2 0.031260 -0.098408 -0.066492 -0.034414 -0.015289 0.039798 34O 2dxz -0.002031 0.013344 0.020381 0.053324 0.019625 -0.066431 34O 2dyz -0.007599 -0.026866 -0.037713 -0.006916 -0.011699 0.010223 34O 2dx2y2 -0.044663 0.095028 0.102204 0.022378 0.008929 -0.021922 34O 2dxy 0.036008 -0.097729 -0.089317 0.028613 0.021333 -0.037771 34O 1f0 0.008108 -0.021297 -0.039998 -0.136216 -0.098559 0.152281 34O 1f+1 -0.009324 -0.208657 -0.187963 0.068292 -0.010214 -0.107204 34O 1f-1 0.008440 0.065478 0.020222 -0.072663 -0.012414 0.093020 34O 1f+2 -0.017963 -0.097695 -0.057979 0.129897 0.051359 -0.155915 34O 1f-2 -0.073430 -0.110730 -0.128292 -0.131012 -0.108810 0.134976 34O 1f+3 -0.000124 -0.121498 -0.128307 -0.173555 -0.066420 0.209796 34O 1f-3 0.000638 0.115321 0.104358 -0.043755 0.036855 0.081905 35O 1s -0.000021 0.001260 -0.001577 -0.000119 -0.000068 -0.000455 35O 2s -0.001087 0.007264 -0.009106 -0.000616 -0.000142 -0.002377 35O 3s 0.053454 -0.133597 0.168835 0.009525 0.006237 0.032595 35O 4s -0.300953 0.317549 -0.395609 -0.013697 -0.057894 -0.033230 35O 5s -0.297521 0.062786 -0.088261 -0.009977 -0.075140 0.172109 35O 1pz 0.018464 -0.028711 0.044333 0.021658 -0.026447 0.007328 35O 1px -0.022084 -0.044976 0.059839 0.017502 -0.021142 0.019849 35O 1py 0.003373 -0.053173 0.046047 -0.030189 0.030010 0.031856 35O 2pz -0.098976 0.113886 -0.158145 -0.094274 0.097654 0.006514 35O 2px -0.071943 0.230936 -0.297136 -0.073840 0.048846 -0.035042 35O 2py -0.088570 0.210611 -0.210006 0.134642 -0.162757 -0.097200 35O 3pz -0.240269 0.068737 -0.063841 0.013982 0.039767 0.025685 35O 3px -0.676514 -0.001883 0.030214 0.022377 -0.059709 0.206918 35O 3py -0.390738 -0.008970 -0.068113 -0.012141 -0.071210 0.066020 35O 1dz2 0.021269 -0.026001 0.101356 -0.105009 0.119296 0.076633 35O 1dxz -0.027238 0.023472 -0.019627 -0.108886 0.137464 -0.007607 35O 1dyz 0.009966 -0.050596 0.027461 0.035736 -0.050818 0.008338 35O 1dx2y2 0.002544 0.028207 -0.012121 -0.152157 0.169011 0.061730 35O 1dxy -0.016149 0.065483 -0.050473 0.068418 -0.067815 -0.064470 35O 2dz2 0.029142 -0.056468 0.043003 0.015749 -0.013054 -0.002495 35O 2dxz -0.027800 0.039181 -0.056125 -0.032052 0.031180 0.015343 35O 2dyz -0.007838 0.051395 -0.051700 -0.022325 0.024974 -0.006148 35O 2dx2y2 -0.027574 0.046940 -0.077951 -0.038431 0.042441 0.002473 35O 2dxy -0.045015 0.096621 -0.126964 0.044953 -0.067047 -0.035223 35O 1f0 0.005996 -0.030996 0.011620 0.030859 -0.056866 0.021532 35O 1f+1 0.029408 -0.097604 0.107533 -0.109860 0.140756 0.063977 35O 1f-1 0.005866 -0.001156 -0.020608 -0.099566 0.129158 0.021028 35O 1f+2 -0.046195 -0.075497 0.058724 -0.159927 0.194389 0.065497 35O 1f-2 0.036613 0.092945 -0.135681 -0.012647 0.035536 -0.071119 35O 1f+3 -0.012386 -0.015730 0.070697 0.236588 -0.270610 -0.109973 35O 1f-3 -0.001250 -0.205375 0.251777 0.020694 -0.030840 0.080549 666 667 668 669 670 671 6.00206 6.00651 6.02013 6.02360 6.03039 6.04970 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s 0.000046 -0.000055 0.000020 -0.002645 -0.000527 -0.000350 0Rh 2s -0.000369 0.000403 -0.000102 0.019459 0.003899 0.002532 0Rh 3s 0.000061 -0.000097 0.000060 -0.004547 -0.000891 -0.000628 0Rh 4s 0.002306 -0.002542 0.000642 -0.122852 -0.024619 -0.016068 0Rh 5s -0.006291 0.006897 -0.001370 0.333265 0.066957 0.043900 0Rh 6s 0.007660 -0.008190 -0.000454 -0.388719 -0.078585 -0.051672 0Rh 7s -0.015614 0.006516 0.038917 0.493839 0.086439 0.041193 0Rh 8s 0.001700 0.008722 -0.008255 -0.142857 -0.038670 -0.066617 0Rh 1pz -0.002533 0.040561 0.005905 0.039327 0.008158 0.008428 0Rh 1px 0.000239 0.014086 -0.001732 -0.109162 -0.025760 -0.017862 0Rh 1py 0.001815 0.001288 0.000744 -0.018038 0.000508 -0.005079 0Rh 2pz 0.010546 -0.169214 -0.024615 -0.164104 -0.034024 -0.035224 0Rh 2px -0.000994 -0.058765 0.007257 0.455481 0.107523 0.074600 0Rh 2py -0.007578 -0.005363 -0.003100 0.075234 -0.002111 0.021219 0Rh 3pz -0.033957 0.553042 0.080051 0.536681 0.110885 0.116242 0Rh 3px 0.003230 0.192099 -0.024507 -1.488773 -0.352210 -0.245083 0Rh 3py 0.024936 0.017354 0.010015 -0.245222 0.006713 -0.069914 0Rh 4pz 0.042577 -0.726768 -0.103958 -0.703782 -0.143981 -0.155649 0Rh 4px -0.004368 -0.252897 0.035500 1.949154 0.463515 0.324369 0Rh 4py -0.033320 -0.022199 -0.012573 0.318363 -0.008151 0.093372 0Rh 5pz -0.018018 0.413368 0.057415 0.385592 0.075298 0.093078 0Rh 5px 0.003047 0.146188 -0.030009 -1.056784 -0.257986 -0.184510 0Rh 5py 0.020102 0.011189 0.005395 -0.164043 0.003756 -0.055570 0Rh 6pz 0.058053 -0.042896 -0.044501 0.002474 0.005298 -0.093753 0Rh 6px 0.043061 -0.030562 0.043420 -0.184331 0.055180 0.110067 0Rh 6py -0.027289 -0.003815 -0.001565 -0.142209 -0.024325 0.046898 0Rh 1dz2 -0.001785 -0.000363 0.002690 0.000495 0.007291 0.001368 0Rh 1dxz 0.000838 -0.001037 0.002068 0.001653 0.000186 -0.000532 0Rh 1dyz -0.004593 -0.002793 -0.001905 -0.002371 0.014837 0.005852 0Rh 1dx2y2 -0.000262 -0.000779 0.002742 -0.003339 0.002290 -0.000746 0Rh 1dxy -0.001636 -0.000799 0.000482 -0.001512 0.005488 0.002559 0Rh 2dz2 0.000557 -0.000155 0.000958 0.001480 -0.002562 0.000263 0Rh 2dxz -0.000463 0.000040 0.000161 0.001461 0.000306 0.000832 0Rh 2dyz 0.001169 0.000522 -0.000363 0.001193 -0.005158 -0.002340 0Rh 2dx2y2 -0.000013 0.000008 0.000484 -0.001947 -0.001778 -0.000117 0Rh 2dxy 0.000402 0.000095 0.000026 -0.000616 -0.002295 -0.001122 0Rh 3dz2 0.006701 0.002711 -0.018556 -0.010528 -0.026441 -0.008651 0Rh 3dxz -0.002095 0.005163 -0.011559 -0.016928 -0.002712 -0.001366 0Rh 3dyz 0.018553 0.012168 0.011639 0.006579 -0.053734 -0.019854 0Rh 3dx2y2 0.001456 0.004007 -0.016586 0.028698 -0.003199 0.004772 0Rh 3dxy 0.006670 0.003737 -0.002641 0.011610 -0.017915 -0.008034 0Rh 4dz2 -0.014256 -0.007272 0.045054 0.039255 0.058413 0.023460 0Rh 4dxz 0.002623 -0.011826 0.026803 0.058639 0.010226 0.007955 0Rh 4dyz -0.040975 -0.027562 -0.027513 -0.009831 0.115323 0.041999 0Rh 4dx2y2 -0.003683 -0.009218 0.039175 -0.094788 -0.001906 -0.014606 0Rh 4dxy -0.014684 -0.008695 0.006080 -0.037404 0.035450 0.014657 0Rh 5dz2 0.021181 0.017050 -0.074877 -0.153207 -0.083301 -0.048595 0Rh 5dxz 0.005448 0.022410 -0.042157 -0.210903 -0.039064 -0.034976 0Rh 5dyz 0.068192 0.053293 0.045763 -0.015516 -0.134416 -0.044832 0Rh 5dx2y2 0.007615 0.015140 -0.060612 0.324880 0.052525 0.044990 0Rh 5dxy 0.023155 0.017319 -0.008858 0.121297 -0.023293 -0.002365 0Rh 1f0 0.000620 -0.001214 0.001654 -0.019591 -0.003145 -0.005078 0Rh 1f+1 -0.001943 0.002103 -0.001419 0.015954 0.003195 0.002352 0Rh 1f-1 0.002119 0.008983 0.000160 0.003535 0.000144 0.001316 0Rh 1f+2 0.000822 -0.008161 -0.000819 0.024568 0.006148 0.003693 0Rh 1f-2 -0.002081 -0.003445 0.000708 0.009451 0.002188 0.001250 0Rh 1f+3 0.000146 0.005230 0.000533 0.030067 0.006690 0.004132 0Rh 1f-3 0.000929 0.001180 -0.000143 0.017382 0.004663 0.003447 1Rh 1s -0.000046 -0.000060 0.000008 0.002646 0.000525 0.000349 1Rh 2s 0.000360 0.000436 -0.000014 -0.019466 -0.003889 -0.002530 1Rh 3s -0.000067 -0.000104 0.000039 0.004547 0.000887 0.000622 1Rh 4s -0.002253 -0.002746 0.000092 0.122892 0.024557 0.016049 1Rh 5s 0.006096 0.007441 0.000117 -0.333378 -0.066793 -0.043867 1Rh 6s -0.007138 -0.008789 -0.002172 0.388885 0.078423 0.051759 1Rh 7s 0.010661 0.006532 0.041229 -0.494725 -0.086305 -0.042866 1Rh 8s -0.002655 0.009433 -0.008218 0.143608 0.037989 0.067088 1Rh 1pz -0.001040 -0.040880 -0.006405 0.039452 0.008676 0.006572 1Rh 1px 0.000102 -0.013860 0.002111 -0.109190 -0.025797 -0.018575 1Rh 1py 0.002805 -0.001164 -0.000869 -0.018175 0.001267 -0.005012 1Rh 2pz 0.004314 0.170543 0.026703 -0.164626 -0.036184 -0.027472 1Rh 2px -0.000419 0.057822 -0.008837 0.455597 0.107678 0.077576 1Rh 2py -0.011710 0.004848 0.003624 0.075805 -0.005280 0.020944 1Rh 3pz -0.013556 -0.557391 -0.086888 0.538388 0.117933 0.090826 1Rh 3px 0.001279 -0.189025 0.029656 -1.489115 -0.352726 -0.254845 1Rh 3py 0.038418 -0.015692 -0.011745 -0.247070 0.017093 -0.069076 1Rh 4pz 0.015622 0.732492 0.112987 -0.706036 -0.153176 -0.122110 1Rh 4px -0.001491 0.248876 -0.042189 1.949524 0.464238 0.337302 1Rh 4py -0.050957 0.020094 0.014913 0.320735 -0.021826 0.092501 1Rh 5pz -0.002252 -0.416627 -0.062637 0.386901 0.080341 0.073844 1Rh 5px 0.000452 -0.143966 0.033451 -1.056936 -0.258504 -0.192166 1Rh 5py 0.029938 -0.010224 -0.006942 -0.165283 0.011539 -0.055626 1Rh 6pz 0.053623 0.048985 0.046491 0.002207 0.003327 -0.092209 1Rh 6px 0.048703 0.031180 -0.040379 -0.184389 0.054851 0.113691 1Rh 6py -0.029421 0.003893 0.005243 -0.140403 -0.025196 0.043749 1Rh 1dz2 0.001735 -0.000223 0.002696 -0.000503 -0.007262 -0.001372 1Rh 1dxz -0.000807 -0.000998 0.002068 -0.001610 -0.000209 0.000603 1Rh 1dyz 0.004665 -0.002712 -0.001960 0.002331 -0.014852 -0.005839 1Rh 1dx2y2 0.000210 -0.000696 0.002719 0.003358 -0.002316 0.000822 1Rh 1dxy 0.001691 -0.000719 0.000457 0.001519 -0.005482 -0.002622 1Rh 2dz2 -0.000498 -0.000198 0.000968 -0.001468 0.002557 -0.000255 1Rh 2dxz 0.000482 0.000034 0.000167 -0.001469 -0.000297 -0.000840 1Rh 2dyz -0.001199 0.000514 -0.000344 -0.001188 0.005164 0.002334 1Rh 2dx2y2 0.000051 -0.000026 0.000480 0.001946 0.001786 0.000099 1Rh 2dxy -0.000408 0.000065 0.000030 0.000613 0.002290 0.001146 1Rh 3dz2 -0.006725 0.002184 -0.018635 0.010514 0.026314 0.008636 1Rh 3dxz 0.001845 0.004986 -0.011589 0.016738 0.002790 0.001034 1Rh 3dyz -0.018788 0.011780 0.011836 -0.006389 0.053784 0.019813 1Rh 3dx2y2 -0.001363 0.003737 -0.016439 -0.028796 0.003294 -0.005085 1Rh 3dxy -0.006922 0.003465 -0.002522 -0.011637 0.017909 0.008253 1Rh 4dz2 0.014533 -0.006176 0.045298 -0.039195 -0.058136 -0.023396 1Rh 4dxz -0.001974 -0.011395 0.026959 -0.058226 -0.010376 -0.007233 1Rh 4dyz 0.041452 -0.026608 -0.027908 0.009389 -0.115426 -0.041914 1Rh 4dx2y2 0.003578 -0.008749 0.038718 0.095002 0.001713 0.015271 1Rh 4dxy 0.015250 -0.008181 0.005777 0.037452 -0.035445 -0.015079 1Rh 5dz2 -0.022241 0.015484 -0.075659 0.153119 0.082863 0.048687 1Rh 5dxz -0.006755 0.021468 -0.043017 0.210290 0.039217 0.033534 1Rh 5dyz -0.069085 0.051132 0.046224 0.016358 0.134433 0.044642 1Rh 5dx2y2 -0.007714 0.014765 -0.059063 -0.325158 -0.052302 -0.045999 1Rh 5dxy -0.024297 0.016768 -0.008129 -0.121245 0.023323 0.002639 1Rh 1f0 0.000701 0.001316 -0.001566 -0.019589 -0.003069 -0.004996 1Rh 1f+1 -0.001836 -0.002189 0.001385 0.015964 0.003232 0.002223 1Rh 1f-1 0.002565 -0.008975 -0.000276 0.003551 0.000361 0.000897 1Rh 1f+2 0.000565 0.008121 0.000718 0.024501 0.006125 0.004086 1Rh 1f-2 -0.002013 0.003328 -0.000732 0.009441 0.002330 0.001232 1Rh 1f+3 0.000174 -0.005325 -0.000678 0.030045 0.006650 0.003901 1Rh 1f-3 0.001013 -0.001103 0.000064 0.017346 0.004710 0.003407 2C 1s -0.000119 0.000446 0.000655 0.000538 0.000770 0.000152 2C 2s -0.000279 0.000628 0.000302 0.000712 0.000574 0.000208 2C 3s 0.006728 -0.001388 0.017582 0.006403 0.032549 0.002124 2C 4s -0.005658 0.060728 -0.053061 -0.017860 -0.110528 0.013341 2C 5s 0.005720 -0.067439 0.192691 -0.174566 0.129846 -0.050209 2C 1pz 0.001470 -0.005909 0.003813 -0.004765 -0.006582 -0.008781 2C 1px -0.000635 0.015229 0.006067 0.020834 0.031944 0.013583 2C 1py 0.000615 0.002939 -0.015081 0.002872 0.003115 0.009935 2C 2pz 0.013188 0.140119 -0.003313 0.099018 0.116442 0.131817 2C 2px 0.011852 -0.171949 -0.054424 -0.203557 -0.308349 -0.121663 2C 2py 0.009837 0.020835 0.135410 -0.004555 0.009220 -0.092839 2C 3pz -0.009182 -0.030878 0.042602 -0.023545 -0.001402 0.034190 2C 3px -0.010330 0.040027 0.021125 -0.034778 0.021204 -0.018528 2C 3py -0.001097 0.003278 -0.008255 -0.019580 0.034166 -0.068883 2C 1dz2 0.000507 0.001335 0.025384 -0.003344 -0.014836 -0.014369 2C 1dxz -0.000237 -0.000984 0.019685 0.016688 0.038688 0.015654 2C 1dyz 0.000784 -0.000451 -0.013151 -0.003403 -0.009389 0.002483 2C 1dx2y2 -0.001435 -0.007443 0.019467 -0.003091 -0.008585 -0.005510 2C 1dxy -0.000408 -0.000033 -0.009100 0.010669 0.027912 0.010891 2C 2dz2 -0.000606 0.051756 0.011353 0.058918 0.039576 0.094666 2C 2dxz -0.000424 -0.008868 0.037621 -0.033350 0.031090 -0.046953 2C 2dyz 0.007486 0.005733 0.022433 -0.003126 -0.024716 -0.061757 2C 2dx2y2 -0.001978 -0.055186 -0.019587 -0.066300 -0.115470 -0.071105 2C 2dxy 0.004948 -0.026098 -0.039563 -0.050580 -0.053614 0.061140 2C 1f0 -0.000483 -0.005308 0.031977 -0.001565 -0.049058 0.013709 2C 1f+1 -0.000427 -0.008768 0.009146 0.001244 0.029240 -0.035570 2C 1f-1 -0.001445 0.008163 -0.009584 0.007901 0.004539 -0.028992 2C 1f+2 -0.001710 0.009401 0.019169 0.009393 0.044757 -0.015848 2C 1f-2 -0.001529 -0.012437 -0.015701 -0.013661 0.009050 0.043561 2C 1f+3 0.000082 -0.000694 0.039940 0.001283 0.009714 0.059778 2C 1f-3 0.004065 0.000982 -0.032318 -0.003751 -0.018055 0.013970 3C 1s 0.000025 0.000338 -0.001050 0.000626 -0.000470 -0.000249 3C 2s -0.000194 0.000184 -0.000366 0.000738 -0.000164 -0.000148 3C 3s 0.004158 0.010203 -0.032383 0.006078 -0.030642 -0.011738 3C 4s 0.013702 -0.075322 0.098671 -0.008536 0.115820 0.042023 3C 5s 0.066599 0.032847 -0.276141 -0.007968 -0.145999 -0.052086 3C 1pz -0.000808 -0.003646 0.016355 -0.011107 0.009541 0.002027 3C 1px -0.000529 0.009207 0.005484 0.027029 -0.020609 -0.011268 3C 1py -0.000312 -0.000123 0.004757 0.004080 -0.001141 -0.001784 3C 2pz 0.027340 0.032781 -0.162161 0.145343 -0.112118 -0.026744 3C 2px 0.015281 -0.117702 -0.055038 -0.257481 0.195042 0.116158 3C 2py -0.020537 0.001448 -0.004162 -0.100923 0.032616 0.032073 3C 3pz 0.001454 -0.009497 0.003661 0.018751 -0.008941 -0.002578 3C 3px 0.000141 0.028059 0.004910 -0.008059 -0.056816 -0.013693 3C 3py -0.009779 -0.005602 0.052993 0.002737 -0.001640 0.000121 3C 1dz2 -0.001325 -0.001827 0.019113 -0.011115 0.013657 0.004095 3C 1dxz -0.001991 0.002499 0.017742 0.021435 -0.024405 -0.012499 3C 1dyz 0.001982 0.001100 -0.020381 0.013376 -0.019661 -0.007865 3C 1dx2y2 -0.003823 -0.005805 0.027743 0.007338 -0.010480 -0.008837 3C 1dxy -0.000745 0.001983 0.007236 -0.020158 0.023240 0.012076 3C 2dz2 -0.001221 0.014713 -0.034124 0.039740 -0.032077 0.004379 3C 2dxz -0.000752 0.002592 -0.008072 0.049095 -0.063634 -0.050095 3C 2dyz -0.000521 -0.002848 0.000227 -0.016746 -0.031309 -0.016674 3C 2dx2y2 -0.014711 -0.023408 0.056668 -0.091184 0.047306 0.017984 3C 2dxy -0.010151 0.035257 0.045054 0.062328 0.001293 -0.022805 3C 1f0 -0.003473 -0.003181 0.031732 0.002112 -0.004640 0.004490 3C 1f+1 -0.005673 -0.004629 0.037200 -0.019227 0.033479 0.003584 3C 1f-1 0.004959 -0.004232 -0.018274 -0.009470 0.000117 -0.003998 3C 1f+2 0.006412 0.001152 -0.044316 0.003789 -0.025846 -0.016623 3C 1f-2 0.002312 0.010846 -0.020573 0.019483 -0.017568 0.002202 3C 1f+3 -0.001108 -0.001077 0.013694 0.023022 -0.048664 -0.012910 3C 1f-3 -0.004767 -0.006855 0.031493 0.009381 -0.039883 -0.023335 4C 1s 0.001108 -0.001026 -0.000806 -0.001617 -0.000944 -0.001247 4C 2s 0.002040 -0.000863 -0.001380 -0.002500 -0.001104 -0.001836 4C 3s -0.051231 -0.050789 -0.004128 0.000990 -0.051769 -0.004906 4C 4s 0.193489 0.252704 0.024074 0.036819 0.235523 0.061353 4C 5s 0.092112 0.091490 -0.075766 0.022805 -0.037115 0.020153 4C 1pz -0.001253 -0.041512 0.000767 -0.041413 -0.093187 -0.029618 4C 1px -0.019403 0.097341 0.005519 0.142283 0.280922 0.103366 4C 1py -0.008128 0.013262 -0.007806 0.028112 0.052059 0.012727 4C 2pz 0.034626 0.068968 0.180300 -0.173463 -0.351848 -0.113989 4C 2px 0.072165 0.290441 0.084540 0.747507 1.376830 0.454443 4C 2py 0.057080 0.176054 -0.167165 0.146013 0.285472 0.163212 4C 3pz -0.000223 0.005412 0.048761 -0.167482 0.072593 -0.043069 4C 3px 0.016933 0.019074 -0.028920 0.208131 0.004607 0.011224 4C 3py -0.009923 0.000221 0.095102 -0.025540 0.029091 0.012014 4C 1dz2 0.005643 -0.071830 0.089885 -0.089419 -0.185325 0.002905 4C 1dxz -0.004271 0.111812 0.027070 0.149438 0.314398 -0.012503 4C 1dyz 0.003355 0.018127 -0.055560 -0.001569 0.022037 -0.091420 4C 1dx2y2 -0.007823 0.014288 0.045444 0.037499 0.068185 -0.118339 4C 1dxy -0.003366 0.071641 0.037607 0.100712 0.149007 0.289816 4C 2dz2 -0.041336 0.010989 0.009321 -0.014995 -0.142415 0.003516 4C 2dxz -0.002011 -0.163826 -0.032528 -0.022288 0.109563 -0.000614 4C 2dyz -0.004951 -0.021504 -0.018977 -0.005699 0.008474 -0.032648 4C 2dx2y2 0.040323 0.073206 0.025631 0.032217 0.091231 0.038531 4C 2dxy 0.034469 -0.063786 0.008597 0.002846 0.134466 0.044763 4C 1f0 0.000723 -0.001422 -0.030547 0.003925 0.026201 0.193413 4C 1f+1 -0.000453 -0.001605 -0.158174 -0.013587 -0.019400 -0.184867 4C 1f-1 -0.002579 -0.022400 0.001598 -0.016841 -0.011408 -0.128120 4C 1f+2 0.000563 -0.028287 0.041595 -0.042770 -0.106406 -0.139203 4C 1f-2 -0.000551 0.006295 0.178707 0.025667 -0.040283 0.112172 4C 1f+3 0.008739 -0.035913 -0.149701 -0.089048 -0.235892 0.170205 4C 1f-3 -0.014207 -0.085654 0.195542 -0.043332 -0.147937 -0.002057 5C 1s 0.001241 0.000993 0.000410 -0.000426 0.001823 -0.000506 5C 2s 0.002260 0.000569 0.000581 -0.000881 0.003026 -0.000929 5C 3s -0.053272 0.038951 0.019163 -0.014651 0.011999 0.032849 5C 4s 0.192046 -0.213995 -0.088332 0.063549 -0.130522 -0.113780 5C 5s 0.066764 -0.092417 0.098658 0.040153 0.098225 -0.037027 5C 1pz -0.007882 -0.018810 0.004721 -0.071813 0.069377 0.034598 5C 1px 0.002537 0.067659 0.018834 0.223711 -0.230542 -0.097977 5C 1py 0.010290 0.006305 0.002306 0.043109 -0.038290 -0.022280 5C 2pz 0.063848 -0.136025 0.149833 -0.341481 0.371112 0.143000 5C 2px -0.118135 0.133015 0.087236 1.147168 -1.123838 -0.528765 5C 2py -0.119455 0.117127 0.236739 0.124487 -0.160377 -0.079101 5C 3pz 0.050489 -0.001357 -0.102083 -0.055445 -0.039998 -0.037594 5C 3px -0.008896 0.011837 -0.046691 0.208244 0.083723 0.023870 5C 3py -0.035878 0.011909 0.036826 0.001220 0.041730 0.054128 5C 1dz2 -0.005655 -0.032145 0.096476 -0.060725 0.050722 0.040560 5C 1dxz -0.000610 0.041943 0.023557 0.064182 -0.030744 -0.073589 5C 1dyz -0.000652 0.045601 -0.035333 0.109843 -0.107194 -0.044684 5C 1dx2y2 -0.020971 0.034638 0.073780 0.131497 -0.134038 -0.060083 5C 1dxy 0.004954 -0.064402 -0.023080 -0.259336 0.282235 0.095319 5C 2dz2 -0.018333 0.046074 0.033278 -0.028574 0.070371 0.044834 5C 2dxz -0.052077 -0.012484 0.033120 -0.018321 -0.043428 -0.021480 5C 2dyz -0.012162 -0.034301 -0.012818 0.022107 -0.065007 -0.021505 5C 2dx2y2 0.021624 -0.093190 -0.036388 0.082078 -0.138129 -0.068340 5C 2dxy 0.056500 0.054091 -0.039399 -0.040804 0.171725 0.064970 5C 1f0 -0.001222 0.042099 -0.070928 0.128025 -0.178795 -0.030707 5C 1f+1 0.033355 0.006353 -0.236917 -0.102879 0.136157 0.040583 5C 1f-1 0.007828 0.017826 -0.088951 -0.001320 0.024636 -0.007291 5C 1f+2 -0.020210 -0.032069 0.171822 -0.098268 0.151540 0.035030 5C 1f-2 0.015695 -0.045235 -0.020286 -0.054254 0.029255 0.042845 5C 1f+3 -0.003308 -0.009006 0.032995 -0.048377 0.063845 0.083745 5C 1f-3 0.031565 0.002712 -0.190119 -0.004452 0.021778 0.035409 6C 1s -0.001270 0.000920 0.000404 0.000423 -0.001823 0.000565 6C 2s -0.002265 0.000437 0.000569 0.000874 -0.003031 0.001014 6C 3s 0.051308 0.041051 0.018237 0.015602 -0.012282 -0.032618 6C 4s -0.180760 -0.220751 -0.084458 -0.066826 0.131587 0.110424 6C 5s -0.061642 -0.098147 0.095867 -0.042318 -0.097983 0.037089 6C 1pz -0.007662 0.018839 -0.004291 -0.072283 0.069334 0.034549 6C 1px 0.001863 -0.068717 -0.020126 0.224287 -0.230108 -0.097016 6C 1py 0.009843 -0.005920 -0.002678 0.043429 -0.038242 -0.022168 6C 2pz 0.059794 0.142359 -0.148653 -0.341528 0.369272 0.137026 6C 2px -0.122928 -0.140617 -0.091710 1.149334 -1.118823 -0.515554 6C 2py -0.117204 -0.121532 -0.234882 0.119825 -0.158305 -0.079092 6C 3pz 0.051844 0.001641 0.101433 -0.053962 -0.040008 -0.037351 6C 3px -0.007983 -0.012333 0.045372 0.209301 0.082133 0.025315 6C 3py -0.037057 -0.012495 -0.034613 -0.000570 0.042594 0.052793 6C 1dz2 0.006776 -0.033179 0.096311 0.062077 -0.050998 -0.044044 6C 1dxz 0.000491 0.041849 0.022991 -0.065132 0.031291 0.081741 6C 1dyz 0.000102 0.046544 -0.034741 -0.110451 0.107087 0.043773 6C 1dx2y2 0.022039 0.035527 0.074097 -0.131335 0.133702 0.060396 6C 1dxy -0.006375 -0.065645 -0.025065 0.259493 -0.281481 -0.088676 6C 2dz2 0.017621 0.045931 0.032811 0.029421 -0.069998 -0.043314 6C 2dxz 0.050449 -0.010386 0.031763 0.019919 0.041749 0.018679 6C 2dyz 0.012377 -0.033802 -0.012953 -0.021907 0.063659 0.019354 6C 2dx2y2 -0.018662 -0.094100 -0.035087 -0.083711 0.137332 0.063611 6C 2dxy -0.055452 0.051822 -0.038712 0.038646 -0.168305 -0.057816 6C 1f0 -0.000653 -0.043754 0.069245 0.128206 -0.177911 -0.023304 6C 1f+1 0.037079 -0.007008 0.237540 -0.100977 0.135115 0.035411 6C 1f-1 0.008922 -0.018274 0.089031 -0.000255 0.024002 -0.010758 6C 1f+2 -0.022070 0.033666 -0.170360 -0.099505 0.150800 0.029737 6C 1f-2 0.015388 0.045775 0.019881 -0.054642 0.029614 0.047728 6C 1f+3 -0.003125 0.009394 -0.033268 -0.049671 0.064149 0.089910 6C 1f-3 0.033173 -0.003306 0.189282 -0.003224 0.021561 0.037835 7C 1s -0.001100 -0.001101 -0.000828 0.001602 0.000955 0.001269 7C 2s -0.002020 -0.000987 -0.001417 0.002482 0.001121 0.001866 7C 3s 0.051332 -0.049272 -0.003669 -0.001155 0.052531 0.005183 7C 4s -0.192154 0.248339 0.024881 -0.034646 -0.238136 -0.062237 7C 5s -0.092237 0.089994 -0.074233 -0.024300 0.037374 -0.016045 7C 1pz -0.003175 0.041423 -0.001176 -0.041508 -0.093611 -0.030484 7C 1px -0.014043 -0.098071 -0.006601 0.142843 0.282144 0.106429 7C 1py -0.007031 -0.013477 0.007209 0.028271 0.052093 0.013214 7C 2pz 0.028863 -0.070469 -0.172002 -0.174817 -0.349012 -0.124657 7C 2px 0.085196 -0.284828 -0.090755 0.747434 1.375675 0.486114 7C 2py 0.064447 -0.174302 0.169627 0.146291 0.287047 0.170559 7C 3pz -0.000338 -0.001719 -0.041294 -0.170402 0.073011 -0.039851 7C 3px 0.017893 -0.017742 0.029069 0.209168 0.004603 0.008321 7C 3py -0.011550 0.001350 -0.090923 -0.027562 0.029812 0.013167 7C 1dz2 -0.000493 -0.071503 0.089082 0.089859 0.185053 -0.000657 7C 1dxz -0.001010 0.111301 0.027453 -0.149494 -0.314354 0.009904 7C 1dyz -0.004370 0.017636 -0.055636 0.001784 -0.020730 0.090829 7C 1dx2y2 0.008158 0.014402 0.045997 -0.036979 -0.066309 0.117714 7C 1dxy -0.000295 0.072477 0.039187 -0.101540 -0.153162 -0.290835 7C 2dz2 0.038915 0.012786 0.010915 0.014197 0.140352 0.003571 7C 2dxz 0.007494 -0.165282 -0.030129 0.023006 -0.103733 -0.011803 7C 2dyz 0.004036 -0.021588 -0.017454 0.005553 -0.007670 0.032828 7C 2dx2y2 -0.039901 0.072844 0.023558 -0.031718 -0.092023 -0.040748 7C 2dxy -0.030185 -0.065659 0.008933 -0.002529 -0.132879 -0.054452 7C 1f0 0.001943 0.001233 0.030068 0.004560 0.028011 0.194730 7C 1f+1 0.002381 0.002508 0.158751 -0.013143 -0.020995 -0.185809 7C 1f-1 -0.003785 0.022583 -0.001133 -0.017145 -0.013301 -0.127294 7C 1f+2 -0.002539 0.028158 -0.041127 -0.043385 -0.107748 -0.140985 7C 1f-2 -0.002833 -0.007145 -0.178776 0.025274 -0.038045 0.108523 7C 1f+3 0.009285 0.035801 0.149870 -0.088246 -0.233527 0.166579 7C 1f-3 -0.020921 0.084325 -0.195441 -0.043974 -0.148281 -0.004215 8C 1s -0.000033 0.000356 -0.001024 -0.000646 0.000479 0.000244 8C 2s 0.000194 0.000201 -0.000360 -0.000758 0.000171 0.000141 8C 3s -0.004427 0.010823 -0.031216 -0.006207 0.030926 0.011607 8C 4s -0.010906 -0.079349 0.094719 0.007706 -0.116498 -0.041157 8C 5s -0.071088 0.034522 -0.268346 0.007274 0.146994 0.049535 8C 1pz -0.000938 0.003772 -0.016179 -0.011307 0.009587 0.001783 8C 1px -0.000660 -0.009324 -0.005573 0.027180 -0.020735 -0.011530 8C 1py -0.000397 0.000158 -0.004780 0.004074 -0.001128 -0.001915 8C 2pz 0.027254 -0.033290 0.159483 0.148562 -0.113426 -0.024509 8C 2px 0.015792 0.119298 0.055524 -0.258042 0.196210 0.119016 8C 2py -0.018640 -0.002721 0.005350 -0.103187 0.033485 0.034593 8C 3pz 0.001565 0.009573 -0.004703 0.018979 -0.009554 -0.001118 8C 3px 0.000093 -0.028534 -0.005349 -0.008574 -0.056359 -0.011774 8C 3py -0.011011 0.006053 -0.052302 0.002312 -0.001527 0.001091 8C 1dz2 0.001578 -0.001939 0.018960 0.011136 -0.013439 -0.003639 8C 1dxz 0.002254 0.002486 0.018043 -0.021334 0.024210 0.012378 8C 1dyz -0.002141 0.001341 -0.020138 -0.013605 0.019701 0.007511 8C 1dx2y2 0.004152 -0.005868 0.027519 -0.007050 0.010269 0.008772 8C 1dxy 0.000776 0.001797 0.007180 0.020475 -0.023319 -0.011846 8C 2dz2 0.000942 0.015504 -0.033395 -0.041521 0.033766 -0.005894 8C 2dxz 0.001318 0.002615 -0.006625 -0.049401 0.063294 0.050729 8C 2dyz 0.000278 -0.002198 0.000255 0.016557 0.031611 0.016277 8C 2dx2y2 0.014444 -0.024039 0.054823 0.093691 -0.048919 -0.019355 8C 2dxy 0.010323 0.035164 0.044972 -0.061196 -0.001719 0.025975 8C 1f0 -0.003831 0.003433 -0.031745 0.001347 -0.004028 0.005983 8C 1f+1 -0.005951 0.004926 -0.036231 -0.019267 0.033148 0.001617 8C 1f-1 0.005236 0.004172 0.018575 -0.009143 -0.000119 -0.004580 8C 1f+2 0.006783 -0.001490 0.043733 0.004315 -0.025975 -0.016966 8C 1f-2 0.002397 -0.011208 0.019980 0.019671 -0.017733 0.003356 8C 1f+3 -0.001311 0.000991 -0.013819 0.022745 -0.048034 -0.010653 8C 1f-3 -0.005245 0.006828 -0.031505 0.009341 -0.039837 -0.022933 9C 1s 0.000102 0.000462 0.000601 -0.000544 -0.000787 -0.000159 9C 2s 0.000252 0.000646 0.000265 -0.000727 -0.000592 -0.000208 9C 3s -0.006795 -0.001252 0.017381 -0.006300 -0.032961 -0.002854 9C 4s 0.006068 0.059860 -0.054509 0.018155 0.111392 -0.010302 9C 5s -0.001875 -0.072114 0.180467 0.180978 -0.130189 0.042542 9C 1pz 0.001161 0.005962 -0.004186 -0.004757 -0.006682 -0.008914 9C 1px 0.000102 -0.015300 -0.006217 0.020910 0.032347 0.013447 9C 1py 0.000954 -0.002973 0.014727 0.003020 0.003286 0.010024 9C 2pz 0.017823 -0.140665 0.008699 0.098996 0.119632 0.132841 9C 2px 0.003148 0.172927 0.055988 -0.204202 -0.312789 -0.118945 9C 2py 0.007489 -0.020794 -0.130065 -0.005091 0.009200 -0.093381 9C 3pz -0.010647 0.031590 -0.040848 -0.024281 -0.000998 0.035161 9C 3px -0.008192 -0.040005 -0.021165 -0.035556 0.020761 -0.015276 9C 3py -0.000916 -0.002333 0.009479 -0.020168 0.033571 -0.068496 9C 1dz2 -0.000180 0.001341 0.025214 0.003482 0.014814 0.014922 9C 1dxz 0.000495 -0.000731 0.019638 -0.016819 -0.039025 -0.016356 9C 1dyz -0.000913 -0.000459 -0.012862 0.003269 0.009238 -0.002383 9C 1dx2y2 0.002125 -0.007388 0.019847 0.003156 0.008673 0.005809 9C 1dxy 0.000232 -0.000292 -0.008986 -0.010557 -0.027463 -0.011329 9C 2dz2 -0.001216 0.051799 0.009392 -0.058811 -0.040624 -0.094192 9C 2dxz 0.001989 -0.007991 0.035646 0.032523 -0.032667 0.042741 9C 2dyz -0.006814 0.006085 0.021328 0.002726 0.024144 0.062232 9C 2dx2y2 0.004515 -0.055462 -0.017029 0.066121 0.116382 0.072302 9C 2dxy -0.004088 -0.027683 -0.039576 0.052978 0.058004 -0.061019 9C 1f0 -0.001412 0.005180 -0.032547 -0.001579 -0.048404 0.012634 9C 1f+1 -0.001120 0.009015 -0.009384 0.001051 0.027986 -0.035661 9C 1f-1 -0.000926 -0.008077 0.009159 0.007974 0.004061 -0.028937 9C 1f+2 -0.001476 -0.009669 -0.018299 0.009370 0.044795 -0.015061 9C 1f-2 -0.001870 0.012322 0.015042 -0.013283 0.009963 0.043619 9C 1f+3 -0.000507 0.000298 -0.039509 0.001349 0.011128 0.060092 9C 1f-3 0.004692 -0.000915 0.031483 -0.003412 -0.017655 0.014084 10H 1s -0.004033 0.020973 0.025791 0.019330 0.065011 0.015496 10H 2s 0.006743 0.115013 0.048494 0.135343 0.240037 0.111694 10H 3s -0.006727 -0.042750 -0.030845 -0.007988 -0.062883 0.004418 10H 1pz 0.000339 0.027374 0.020941 0.043000 0.071317 0.044515 10H 1px -0.000682 -0.026772 -0.015247 -0.027568 -0.061818 -0.013596 10H 1py 0.000303 0.015204 0.000950 0.022339 0.039453 0.015426 11H 1s 0.002826 -0.003409 -0.013341 -0.005736 -0.008345 -0.010438 11H 2s 0.007996 -0.009341 -0.067468 -0.009859 -0.069143 0.069126 11H 3s -0.012667 0.020236 -0.000480 0.019879 -0.005913 0.023964 11H 1pz 0.001936 -0.000727 -0.028395 -0.006558 -0.021008 0.035081 11H 1px 0.002403 -0.004932 -0.009628 -0.005667 -0.015554 -0.003069 11H 1py -0.002013 -0.005238 0.008764 -0.006386 -0.011369 0.012407 12H 1s 0.001008 -0.011095 0.042269 -0.007855 -0.023611 0.000120 12H 2s 0.001789 -0.022015 0.063645 -0.024658 -0.047738 -0.141836 12H 3s -0.007322 0.033876 -0.036067 0.032228 0.014791 -0.019152 12H 1pz -0.000910 -0.005162 -0.002088 -0.005023 0.002387 -0.051351 12H 1px 0.001541 -0.006493 0.003752 -0.008800 -0.016746 -0.016058 12H 1py 0.000434 -0.009104 0.041868 -0.009982 -0.016961 -0.046677 13H 1s 0.005057 0.012338 -0.035797 0.037493 -0.057843 -0.022739 13H 2s 0.004337 0.053662 -0.058785 0.185064 -0.169146 -0.094249 13H 3s -0.004387 -0.027453 0.039554 -0.032639 0.064812 0.026320 13H 1pz 0.000991 0.017369 -0.018367 0.056460 -0.055522 -0.026140 13H 1px -0.001895 -0.007320 0.018345 -0.027677 0.034849 0.014920 13H 1py -0.001589 -0.016413 0.019838 -0.046303 0.036897 0.022849 14H 1s 0.006533 -0.000646 -0.055471 -0.019332 0.021698 0.012723 14H 2s 0.014365 -0.017446 -0.085876 -0.056543 0.045331 0.062017 14H 3s -0.016280 0.013327 0.057559 0.033072 -0.012770 -0.012438 14H 1pz 0.005054 -0.002817 -0.038086 -0.012157 0.006259 0.012691 14H 1px 0.005064 -0.003861 -0.036501 -0.024267 0.020478 0.018958 14H 1py 0.001362 0.002079 -0.001465 0.005512 0.004925 -0.008703 15H 1s 0.000036 -0.000984 0.003963 -0.004443 0.002055 0.001896 15H 2s -0.014656 -0.002631 0.073523 -0.022833 0.052841 -0.000903 15H 3s -0.010188 0.007963 0.017479 0.005377 0.013738 0.008919 15H 1pz 0.000684 -0.000893 -0.005648 -0.004721 0.003449 -0.000028 15H 1px 0.000187 -0.001255 0.000461 -0.010592 0.009446 0.005443 15H 1py 0.004692 0.001541 -0.029457 0.009566 -0.016532 0.002751 16H 1s -0.416839 -0.391397 -0.039878 0.002773 0.003656 0.007429 16H 2s -0.357657 -0.348328 -0.031200 0.059757 -0.008552 0.010122 16H 3s 0.090130 0.079195 0.006930 -0.001402 -0.015012 -0.007101 16H 1pz -0.470192 -0.446679 -0.047237 0.018558 -0.003496 0.006927 16H 1px 0.018742 0.019392 0.004048 0.000474 0.003586 0.001357 16H 1py -0.188342 -0.180479 -0.014551 0.000358 -0.005337 -0.000117 17H 1s 0.414086 0.393951 0.029339 0.024046 0.005028 0.000301 17H 2s 0.348001 0.334111 0.035549 0.074375 0.033246 0.013055 17H 3s -0.089853 -0.078710 -0.011517 -0.007808 0.005055 0.005903 17H 1pz -0.306327 -0.291396 -0.021922 -0.029161 -0.007924 -0.001016 17H 1px -0.299041 -0.287279 -0.024489 -0.028703 -0.011687 -0.006606 17H 1py 0.255862 0.246169 0.021905 0.014989 0.008735 -0.000893 18H 1s -0.425906 0.381761 0.035118 -0.022173 -0.005966 -0.000264 18H 2s -0.355847 0.322093 0.041723 -0.072389 -0.032864 -0.012556 18H 3s 0.092750 -0.076262 -0.013372 0.007241 -0.004391 -0.006173 18H 1pz -0.321862 0.288634 0.027198 -0.027976 -0.008617 -0.001051 18H 1px -0.307340 0.278385 0.029230 -0.027345 -0.012149 -0.006278 18H 1py 0.253358 -0.229665 -0.024871 0.012965 0.008776 -0.001442 19H 1s 0.426779 -0.378355 -0.045366 -0.004749 -0.003531 -0.007413 19H 2s 0.367831 -0.337536 -0.036709 -0.061511 0.009711 -0.011981 19H 3s -0.091866 0.076331 0.008689 0.001716 0.014783 0.007735 19H 1pz -0.477432 0.427982 0.053311 0.020809 -0.003970 0.007422 19H 1px 0.023008 -0.022325 -0.004878 0.000269 0.003857 0.001387 19H 1py -0.203737 0.184145 0.018396 0.001768 -0.005538 0.000319 20H 1s 0.000107 -0.001112 0.004499 0.004747 -0.002255 -0.002094 20H 2s 0.014971 -0.003204 0.072628 0.024178 -0.053961 0.003362 20H 3s 0.010304 0.008475 0.016531 -0.005768 -0.013648 -0.007921 20H 1pz 0.000806 0.000852 0.005938 -0.004742 0.003484 -0.000409 20H 1px 0.000292 0.001270 -0.000349 -0.010767 0.009672 0.005307 20H 1py 0.004917 -0.001722 0.029343 0.010111 -0.016910 0.003904 21H 1s -0.007184 -0.000387 -0.054921 0.018783 -0.021238 -0.012252 21H 2s -0.014923 -0.016851 -0.084952 0.054851 -0.044249 -0.064787 21H 3s 0.016974 0.013346 0.056694 -0.032667 0.012558 0.011131 21H 1pz 0.005435 0.002518 0.038102 -0.011635 0.005933 0.013701 21H 1px 0.005361 0.003686 0.035838 -0.023697 0.020042 0.019252 21H 1py 0.001353 -0.002000 0.001637 0.005593 0.004838 -0.010345 22H 1s -0.005132 0.012798 -0.034546 -0.037999 0.057920 0.022108 22H 2s -0.003910 0.055234 -0.056185 -0.187782 0.170768 0.094636 22H 3s 0.004542 -0.028189 0.038163 0.032631 -0.064935 -0.025215 22H 1pz 0.000880 -0.017769 0.017074 0.056892 -0.055596 -0.025912 22H 1px -0.001873 0.007691 -0.017862 -0.028158 0.035084 0.014452 22H 1py -0.001701 0.016908 -0.019364 -0.047285 0.037660 0.023651 23H 1s 0.000107 -0.010812 0.041136 0.007995 0.022964 0.000142 23H 2s 0.000569 -0.021297 0.062424 0.023257 0.046617 0.141994 23H 3s 0.005450 0.033889 -0.034558 -0.032759 -0.014002 0.019753 23H 1pz -0.001142 0.005105 0.002023 -0.004860 0.001998 -0.050643 23H 1px 0.001194 0.006376 -0.002912 -0.008625 -0.016519 -0.015748 23H 1py -0.000695 0.008761 -0.041284 -0.009636 -0.016400 -0.047017 24H 1s -0.002883 -0.003493 -0.014330 0.005983 0.008847 0.010690 24H 2s -0.008663 -0.009857 -0.066677 0.010467 0.070986 -0.069482 24H 3s 0.011284 0.021282 0.000794 -0.020704 0.005007 -0.023832 24H 1pz 0.002383 0.000946 0.028500 -0.006871 -0.021484 0.035457 24H 1px 0.002359 0.005010 0.009860 -0.005789 -0.016098 -0.002975 24H 1py -0.002290 0.005310 -0.008983 -0.006502 -0.011653 0.012951 25H 1s 0.003227 0.021370 0.024095 -0.019162 -0.065489 -0.017054 25H 2s -0.011787 0.116114 0.046263 -0.136182 -0.243976 -0.112771 25H 3s 0.008713 -0.042565 -0.029637 0.007040 0.063324 -0.002272 25H 1pz 0.001564 -0.027951 -0.020434 0.043460 0.073014 0.044498 25H 1px -0.001837 0.027005 0.014119 -0.027521 -0.062277 -0.014856 25H 1py 0.001142 -0.014962 -0.000229 0.022222 0.039397 0.014998 26O 1s -0.000643 -0.000940 0.000076 -0.003684 -0.004975 -0.001709 26O 2s -0.002075 -0.005184 -0.000026 -0.013948 -0.021334 -0.007379 26O 3s 0.027217 0.099189 0.006191 0.189456 0.335649 0.116502 26O 4s -0.088570 -0.264321 -0.028526 -0.422881 -0.931407 -0.309026 26O 5s -0.121137 -0.185226 -0.019500 -0.431121 -0.531365 -0.187516 26O 1pz 0.004916 -0.016408 0.016004 -0.001410 -0.034205 -0.042782 26O 1px 0.005022 -0.021164 0.009756 -0.067953 -0.110491 -0.059597 26O 1py 0.008234 -0.021258 -0.034803 -0.036960 -0.084317 0.017743 26O 2pz -0.011793 0.067455 -0.064841 0.051148 0.201652 0.189651 26O 2px 0.020022 0.165302 -0.026257 0.331120 0.668181 0.307327 26O 2py -0.013062 0.106956 0.144871 0.195421 0.456286 -0.019325 26O 3pz 0.023768 0.073775 -0.019482 0.094198 -0.025075 -0.030900 26O 3px 0.079755 0.107368 -0.011895 0.148890 0.215502 0.036325 26O 3py 0.057093 0.067978 -0.007280 0.115516 0.063856 0.040475 26O 1dz2 -0.002256 0.022091 0.067384 -0.018134 0.015944 0.055135 26O 1dxz -0.007496 -0.024349 0.067328 0.086072 0.049270 -0.116836 26O 1dyz 0.003406 0.040161 -0.014617 -0.072974 -0.018420 -0.107210 26O 1dx2y2 -0.007004 -0.030584 0.090664 -0.053161 -0.031841 -0.182582 26O 1dxy 0.004008 -0.031302 -0.047255 -0.055371 -0.152880 0.182702 26O 2dz2 0.002151 0.036977 0.006166 0.081161 0.130420 0.030430 26O 2dxz -0.002369 -0.025393 0.030436 -0.072330 -0.105792 -0.062659 26O 2dyz -0.005681 -0.035256 0.006594 0.006679 -0.038614 -0.003700 26O 2dx2y2 -0.005801 -0.045975 0.036683 -0.042563 -0.102481 -0.067953 26O 2dxy -0.003910 -0.062725 -0.053766 -0.102382 -0.191961 -0.050401 26O 1f0 0.002998 -0.005152 -0.001688 -0.040408 -0.024037 -0.198436 26O 1f+1 0.014958 -0.040700 -0.134006 -0.049410 -0.122711 -0.109210 26O 1f-1 0.008820 0.016209 -0.088719 -0.069762 -0.095482 0.050928 26O 1f+2 0.000899 -0.029505 -0.170811 -0.006568 0.016709 0.095647 26O 1f-2 -0.003949 0.044029 0.008913 0.087124 0.082618 0.144538 26O 1f+3 -0.006646 -0.041107 0.190479 0.017697 0.044215 -0.328700 26O 1f-3 0.019003 -0.113914 0.024769 -0.156051 -0.326254 0.086197 27O 1s 0.000300 -0.000505 -0.000183 -0.005261 0.003935 0.001879 27O 2s 0.001215 -0.002522 -0.000766 -0.020382 0.017271 0.008092 27O 3s -0.015868 0.038075 0.008617 0.287422 -0.278107 -0.130024 27O 4s 0.028546 -0.062970 -0.003690 -0.701828 0.796497 0.378931 27O 5s 0.020878 0.107014 0.031266 -0.544263 0.336828 0.174482 27O 1pz -0.006838 -0.007633 0.035156 -0.010128 0.034422 0.003530 27O 1px 0.003206 -0.018221 0.000914 -0.109739 0.106852 0.040047 27O 1py -0.001666 0.016056 0.026987 0.020326 -0.035771 -0.020505 27O 2pz 0.029357 0.029141 -0.142757 0.064098 -0.135544 -0.014442 27O 2px -0.017903 0.047257 -0.016147 0.583477 -0.645539 -0.273377 27O 2py 0.007206 -0.040599 -0.103447 -0.160613 0.212634 0.119975 27O 3pz 0.002702 0.046349 0.003081 0.035461 0.064173 0.037832 27O 3px 0.031736 -0.010916 -0.026555 0.272139 -0.149183 -0.104819 27O 3py -0.027435 -0.034583 0.001839 -0.119255 -0.024434 0.004686 27O 1dz2 -0.021703 -0.021099 0.057742 0.091235 -0.091565 -0.006899 27O 1dxz -0.015638 -0.020214 0.106266 -0.000091 0.100453 -0.024151 27O 1dyz 0.007106 -0.019182 -0.050043 0.129306 -0.010198 0.002712 27O 1dx2y2 -0.005983 -0.038732 0.063219 -0.069437 0.098338 0.033019 27O 1dxy -0.015963 -0.000991 0.057915 -0.048137 0.015439 -0.044203 27O 2dz2 0.001570 0.028342 -0.006769 0.093480 -0.104216 -0.054233 27O 2dxz -0.007156 -0.005242 0.059641 -0.045205 0.033515 0.006236 27O 2dyz -0.001297 0.013050 -0.014423 -0.041491 -0.011694 -0.001942 27O 2dx2y2 0.001003 -0.014781 0.017818 -0.155165 0.156806 0.060255 27O 2dxy -0.008278 0.016163 0.045559 0.123398 -0.112973 -0.056044 27O 1f0 -0.013033 -0.023201 0.126826 -0.040153 0.094552 -0.020355 27O 1f+1 0.018819 -0.057537 -0.119784 -0.195190 0.224609 0.066496 27O 1f-1 -0.013331 0.020135 0.104238 0.068067 -0.047352 -0.018437 27O 1f+2 0.016363 -0.027850 -0.127050 0.072863 -0.075228 0.033819 27O 1f-2 -0.012319 -0.057012 0.136288 -0.087639 0.064521 -0.006312 27O 1f+3 -0.021748 -0.037425 0.170335 -0.147476 0.194937 0.053199 27O 1f-3 -0.014495 0.031449 0.037016 0.119870 -0.079539 -0.082190 28O 1s -0.000062 0.000441 -0.000370 0.003254 0.004397 0.001236 28O 2s -0.000188 0.002896 -0.001160 0.012045 0.018775 0.005593 28O 3s 0.003451 -0.050210 0.014725 -0.159265 -0.288745 -0.088357 28O 4s -0.016363 0.074776 -0.047427 0.328658 0.745508 0.216826 28O 5s -0.009346 -0.112211 -0.038878 0.401938 0.373727 0.126115 28O 1pz -0.005078 0.025068 0.029018 0.033586 0.083449 0.058255 28O 1px -0.001004 -0.014450 0.020839 -0.051713 -0.085095 -0.011330 28O 1py -0.000369 0.023803 -0.042820 0.002286 0.040380 -0.029803 28O 2pz 0.022111 -0.066117 -0.098409 -0.201938 -0.482058 -0.268728 28O 2px 0.002113 0.043379 -0.092815 0.226880 0.463498 0.080446 28O 2py 0.003400 -0.071251 0.175236 -0.039793 -0.198690 0.094883 28O 3pz 0.050665 -0.064663 0.005775 -0.213919 -0.093791 0.005935 28O 3px -0.027343 -0.052965 -0.004062 0.120811 0.135925 0.054305 28O 3py 0.031095 -0.037998 -0.004103 -0.066742 0.016770 -0.041041 28O 1dz2 0.000298 -0.008913 0.125006 -0.014044 -0.008494 0.070598 28O 1dxz -0.003565 -0.028559 -0.016430 0.002364 -0.049736 -0.133769 28O 1dyz 0.007575 -0.022469 -0.106387 0.083540 0.091111 -0.072164 28O 1dx2y2 -0.000305 0.020368 -0.004848 0.089446 0.124743 -0.096552 28O 1dxy -0.001379 -0.051679 0.109430 0.087116 -0.047261 0.217707 28O 2dz2 -0.003527 0.008779 0.048526 0.040899 0.058326 0.060352 28O 2dxz 0.007688 -0.039588 -0.009839 -0.116014 -0.206352 -0.061295 28O 2dyz 0.000631 0.035819 -0.037706 -0.007469 0.045553 -0.008913 28O 2dx2y2 -0.002300 0.018909 -0.014728 0.021737 0.065680 0.036087 28O 2dxy 0.000729 -0.005908 0.057327 -0.060802 -0.074959 -0.012300 28O 1f0 0.006329 0.051967 -0.226506 -0.002846 0.070752 0.026458 28O 1f+1 -0.004089 0.034178 0.146414 0.091383 0.119991 0.291499 28O 1f-1 0.001746 -0.106400 0.052637 -0.034461 -0.088539 0.010634 28O 1f+2 0.007483 -0.056994 -0.050258 -0.107576 -0.224835 -0.059948 28O 1f-2 0.001386 0.064323 -0.205460 0.084332 0.173811 -0.172268 28O 1f+3 0.007229 -0.061121 -0.058340 -0.051293 -0.125582 0.041337 28O 1f-3 0.001130 0.005571 -0.110623 0.004672 0.111818 -0.229963 29O 1s 0.000154 0.000063 0.000358 0.000695 0.000237 0.000364 29O 2s 0.000451 0.000136 0.001122 0.000772 0.000458 0.000925 29O 3s -0.005954 -0.001834 -0.013175 0.010465 -0.001728 -0.007671 29O 4s 0.014530 0.003290 0.032927 -0.010920 0.013416 0.031719 29O 5s -0.004611 0.010968 -0.036215 -0.160687 -0.067002 -0.102345 29O 1pz 0.179603 0.172541 0.015738 0.000969 -0.000106 -0.001693 29O 1px 0.065280 0.063458 0.006166 0.013403 0.002948 0.000242 29O 1py -0.015698 -0.015243 -0.000718 -0.005564 -0.001283 -0.001632 29O 2pz -0.991703 -0.949126 -0.089070 -0.013275 -0.011095 0.006037 29O 2px -0.361381 -0.348176 -0.031209 -0.041304 -0.012472 -0.002176 29O 2py 0.085881 0.083890 0.002182 0.038689 0.008488 0.008221 29O 3pz 0.129328 0.129722 0.011624 -0.012275 -0.029588 -0.014101 29O 3px 0.047767 0.045522 0.016694 0.088548 0.026589 0.038598 29O 3py -0.009622 -0.012735 0.001601 0.055367 0.015772 0.011156 29O 1dz2 0.241020 0.212409 0.036741 -0.046551 -0.009393 -0.011379 29O 1dxz -0.225011 -0.196024 -0.018526 -0.057881 -0.004705 -0.005097 29O 1dyz 0.363390 0.350778 0.024786 0.004970 0.017998 -0.000279 29O 1dx2y2 -0.068683 -0.058620 0.009606 0.046710 0.011803 -0.000165 29O 1dxy 0.159372 0.155682 0.008910 0.025022 0.012776 0.008327 29O 2dz2 0.133558 0.134322 0.005179 0.024069 0.008193 0.003997 29O 2dxz -0.119523 -0.123156 -0.009386 0.023914 -0.000366 0.004396 29O 2dyz 0.237864 0.223699 0.024805 0.006174 -0.000896 -0.001336 29O 2dx2y2 -0.032328 -0.033791 -0.011134 -0.034514 -0.009548 -0.001748 29O 2dxy 0.105005 0.098859 0.009070 0.001837 -0.000978 -0.002764 29O 1f0 -0.028920 -0.025809 -0.001951 0.003886 -0.000890 0.000256 29O 1f+1 -0.041056 -0.035484 -0.008017 0.003998 -0.003619 -0.001153 29O 1f-1 -0.282144 -0.261982 -0.029234 0.018264 0.007925 0.010538 29O 1f+2 0.128935 0.116563 0.015418 0.011526 0.001567 0.003326 29O 1f-2 0.382987 0.361015 0.029844 0.027645 0.004930 0.000296 29O 1f+3 -0.122113 -0.113644 -0.002541 0.002051 0.001465 0.000058 29O 1f-3 -0.183439 -0.172659 -0.013728 -0.001018 0.001881 0.004479 30O 1s -0.000837 0.000563 0.000139 0.004379 -0.003269 -0.001634 30O 2s -0.002944 0.003248 0.000953 0.017287 -0.014627 -0.007240 30O 3s 0.042156 -0.064531 -0.021733 -0.245462 0.236673 0.114616 30O 4s -0.132590 0.166518 0.081452 0.558826 -0.661012 -0.308733 30O 5s -0.172617 0.147916 0.088224 0.522275 -0.288601 -0.106877 30O 1pz -0.002417 0.003607 0.051157 0.060351 -0.068053 -0.026799 30O 1px 0.000396 -0.006379 0.005935 -0.067408 0.045060 0.021746 30O 1py -0.010695 -0.020079 0.025523 -0.048284 0.057802 0.030768 30O 2pz 0.044514 -0.047200 -0.222531 -0.314694 0.370715 0.148172 30O 2px -0.041465 0.073047 -0.001486 0.320949 -0.300399 -0.138816 30O 2py 0.003778 0.101077 -0.080489 0.294216 -0.350858 -0.171872 30O 3pz 0.062317 -0.083510 -0.017513 -0.114886 0.042154 0.005299 30O 3px -0.074006 0.033903 0.036497 0.128859 -0.149166 -0.063196 30O 3py -0.081681 0.079076 0.021550 0.178489 -0.039084 -0.010345 30O 1dz2 -0.023910 0.002573 0.167445 -0.069215 -0.021723 0.000575 30O 1dxz 0.012736 -0.012767 -0.069567 -0.085164 0.136884 0.004846 30O 1dyz 0.012817 -0.001851 -0.051320 -0.101509 0.052082 0.032365 30O 1dx2y2 -0.014893 0.008486 0.066899 0.073399 0.001700 -0.004633 30O 1dxy 0.008487 0.044644 -0.073752 -0.061372 -0.002499 -0.055185 30O 2dz2 -0.004111 -0.021872 0.057511 0.023410 0.000269 0.009900 30O 2dxz 0.016999 -0.032579 -0.055327 -0.109301 0.098891 0.052414 30O 2dyz 0.014850 -0.038117 -0.027156 -0.085661 0.114808 0.050701 30O 2dx2y2 0.000654 -0.003482 0.009422 -0.024096 0.005028 0.007884 30O 2dxy -0.006443 0.036086 -0.027930 0.154055 -0.122652 -0.048373 30O 1f0 0.019091 0.082793 -0.105391 0.136451 -0.149026 -0.065722 30O 1f+1 -0.022950 -0.022239 0.198851 0.065951 -0.129181 0.000182 30O 1f-1 -0.030902 -0.024458 0.271235 0.063389 -0.049658 -0.020847 30O 1f+2 0.006939 0.008832 -0.042873 -0.032867 0.067236 -0.007032 30O 1f-2 -0.001660 -0.053302 -0.045667 -0.234831 0.211574 0.091462 30O 1f+3 0.023472 -0.002222 -0.141048 0.043233 -0.017911 -0.033624 30O 1f-3 -0.002655 -0.020824 -0.025402 -0.028316 0.047729 0.063112 31O 1s 0.000835 0.000608 0.000151 -0.004369 0.003244 0.001551 31O 2s 0.002943 0.003416 0.001002 -0.017264 0.014534 0.006967 31O 3s -0.042003 -0.066984 -0.022355 0.245201 -0.235362 -0.111397 31O 4s 0.131180 0.173622 0.081982 -0.557167 0.656590 0.299585 31O 5s 0.169512 0.155773 0.088565 -0.519684 0.285413 0.102809 31O 1pz -0.003458 -0.003407 -0.051530 0.060036 -0.067789 -0.025085 31O 1px 0.000530 0.006752 -0.005667 -0.067557 0.044750 0.021232 31O 1py -0.010976 0.020201 -0.025346 -0.048812 0.057686 0.031878 31O 2pz 0.047596 0.048163 0.223729 -0.312911 0.368612 0.140538 31O 2px -0.040988 -0.076237 0.000807 0.320949 -0.298359 -0.135737 31O 2py 0.005524 -0.103424 0.079795 0.295617 -0.349339 -0.173701 31O 3pz 0.058963 0.086039 0.016901 -0.114239 0.041972 0.006413 31O 3px -0.071493 -0.037005 -0.036405 0.127436 -0.147758 -0.060010 31O 3py -0.079760 -0.082844 -0.022064 0.177685 -0.039935 -0.007107 31O 1dz2 0.025621 0.001598 0.166948 0.070803 0.020968 -0.002789 31O 1dxz -0.014163 -0.012869 -0.070597 0.084240 -0.136209 0.002010 31O 1dyz -0.013016 -0.002261 -0.051573 0.101097 -0.051313 -0.031260 31O 1dx2y2 0.015228 0.008622 0.066741 -0.072776 -0.002121 0.005238 31O 1dxy -0.009796 0.044950 -0.074600 0.060109 0.003276 0.061396 31O 2dz2 0.005183 -0.022196 0.057756 -0.022892 -0.000253 -0.011542 31O 2dxz -0.017322 -0.033266 -0.055501 0.109004 -0.098366 -0.051881 31O 2dyz -0.015258 -0.038894 -0.027393 0.085668 -0.114578 -0.050015 31O 2dx2y2 -0.000365 -0.003703 0.009393 0.024187 -0.004834 -0.008165 31O 2dxy 0.005859 0.037292 -0.027298 -0.154400 0.122119 0.047396 31O 1f0 0.019922 -0.083770 0.104391 0.137969 -0.149084 -0.065696 31O 1f+1 -0.025729 0.022928 -0.199827 0.063609 -0.127703 0.010897 31O 1f-1 -0.035408 0.025745 -0.271259 0.061465 -0.049773 -0.018384 31O 1f+2 0.007526 -0.008565 0.043483 -0.032028 0.066532 -0.012577 31O 1f-2 -0.000668 0.053822 0.046901 -0.235041 0.210805 0.089047 31O 1f+3 0.025402 0.001572 0.140892 0.044711 -0.017940 -0.035650 31O 1f-3 -0.002409 0.020702 0.024905 -0.028951 0.048207 0.068631 32O 1s -0.000144 0.000052 0.000354 -0.000700 -0.000223 -0.000375 32O 2s -0.000413 0.000102 0.001102 -0.000786 -0.000415 -0.000958 32O 3s 0.005434 -0.001426 -0.012822 -0.010369 0.001269 0.007995 32O 4s -0.013709 0.002437 0.032004 0.010774 -0.012418 -0.032680 32O 5s 0.005496 0.011448 -0.035910 0.160874 0.065499 0.104699 32O 1pz 0.184942 -0.167651 -0.018335 0.000328 0.000200 -0.001767 32O 1px 0.066507 -0.060868 -0.007109 0.013172 0.003163 0.000324 32O 1py -0.011572 0.010707 0.000526 -0.005425 -0.001373 -0.001692 32O 2pz -1.020908 0.921811 0.103605 -0.009657 -0.012783 0.006753 32O 2px -0.367539 0.333591 0.036310 -0.039892 -0.013232 -0.002310 32O 2py 0.062995 -0.058403 -0.001199 0.037907 0.008476 0.008374 32O 3pz 0.133152 -0.126934 -0.013678 -0.013462 -0.029039 -0.014054 32O 3px 0.050510 -0.044535 -0.017427 0.088268 0.027168 0.039223 32O 3py -0.006973 0.010009 -0.002185 0.055390 0.014751 0.011933 32O 1dz2 -0.228793 0.189533 0.038183 0.048281 0.009755 0.011091 32O 1dxz 0.239550 -0.197282 -0.022981 0.056999 0.005528 0.005791 32O 1dyz -0.379203 0.345146 0.031037 -0.002004 -0.017963 0.001083 32O 1dx2y2 0.080288 -0.065739 0.007928 -0.046966 -0.011080 0.000137 32O 1dxy -0.156919 0.143592 0.010780 -0.023991 -0.013204 -0.007303 32O 2dz2 -0.127199 0.121037 0.006106 -0.023359 -0.008298 -0.003722 32O 2dxz 0.128181 -0.124106 -0.011435 -0.024156 0.000504 -0.005009 32O 2dyz -0.247958 0.219960 0.028396 -0.005434 0.000290 0.001387 32O 2dx2y2 0.039855 -0.038598 -0.012379 0.034633 0.009534 0.001642 32O 2dxy -0.102681 0.091505 0.010063 -0.001181 0.001086 0.002348 32O 1f0 -0.013888 0.011289 0.000657 0.002853 -0.001071 -0.000187 32O 1f+1 -0.052788 0.043955 0.009547 0.003060 -0.004156 -0.001176 32O 1f-1 -0.282601 0.247900 0.032214 0.020547 0.007799 0.010604 32O 1f+2 0.131928 -0.112588 -0.017489 0.009866 0.001508 0.003254 32O 1f-2 0.399875 -0.354878 -0.035618 0.025927 0.005315 0.000011 32O 1f+3 -0.109215 0.095729 0.002935 0.003463 0.001386 -0.000157 32O 1f-3 -0.192506 0.170958 0.016615 -0.000130 0.001709 0.004309 33O 1s 0.000028 0.000432 -0.000349 -0.003251 -0.004362 -0.001370 33O 2s -0.000013 0.002854 -0.001071 -0.012042 -0.018679 -0.006087 33O 3s 0.000292 -0.049469 0.013168 0.159386 0.287830 0.095266 33O 4s 0.008009 0.072377 -0.042217 -0.328685 -0.741751 -0.237339 33O 5s 0.006587 -0.114946 -0.031610 -0.404858 -0.370816 -0.139572 33O 1pz -0.004043 -0.025158 -0.029246 0.033488 0.083920 0.059312 33O 1px -0.001938 0.014246 -0.020542 -0.051890 -0.084712 -0.013236 33O 1py 0.001274 -0.023552 0.042896 0.002430 0.040179 -0.029467 33O 2pz 0.017844 0.065814 0.101551 -0.201826 -0.482280 -0.278070 33O 2px 0.007300 -0.041536 0.090027 0.227807 0.461455 0.092539 33O 2py -0.002793 0.070187 -0.174876 -0.040576 -0.197825 0.091628 33O 3pz 0.044356 0.065562 -0.003299 -0.214656 -0.093254 0.005783 33O 3px -0.025792 0.052873 0.000885 0.121401 0.134737 0.060918 33O 3py 0.028325 0.039776 0.004241 -0.067213 0.015256 -0.039959 33O 1dz2 0.002745 -0.008184 0.125335 0.014412 0.008139 -0.069958 33O 1dxz 0.005737 -0.027985 -0.017151 -0.002147 0.051322 0.134562 33O 1dyz -0.008598 -0.023174 -0.105486 -0.084078 -0.089298 0.067769 33O 1dx2y2 -0.000183 0.020309 -0.004319 -0.089407 -0.123393 0.094345 33O 1dxy 0.005411 -0.050551 0.110742 -0.087026 0.045951 -0.217638 33O 2dz2 0.003140 0.008748 0.049167 -0.040655 -0.058360 -0.061194 33O 2dxz -0.005106 -0.039457 -0.011176 0.116259 0.206230 0.065020 33O 2dyz -0.002932 0.035540 -0.037531 0.007167 -0.045987 0.008610 33O 2dx2y2 0.000447 0.018539 -0.014319 -0.021970 -0.066032 -0.037266 33O 2dxy 0.000695 -0.005807 0.056808 0.061275 0.074846 0.014572 33O 1f0 0.011964 -0.051600 0.226154 -0.001370 0.071827 0.028170 33O 1f+1 -0.004208 -0.034740 -0.148050 0.091178 0.121998 0.293012 33O 1f-1 -0.004059 0.105852 -0.051961 -0.034827 -0.089836 0.011278 33O 1f+2 0.004658 0.056879 0.051522 -0.107627 -0.225030 -0.063532 33O 1f-2 0.007104 -0.063496 0.205231 0.085211 0.171969 -0.167732 33O 1f+3 0.005069 0.061133 0.058987 -0.051278 -0.125823 0.041202 33O 1f-3 0.003050 -0.004747 0.111264 0.004938 0.109138 -0.226392 34O 1s -0.000309 -0.000534 -0.000214 0.005264 -0.003916 -0.001790 34O 2s -0.001267 -0.002642 -0.000884 0.020408 -0.017200 -0.007786 34O 3s 0.017047 0.039812 0.010282 -0.288077 0.277152 0.126082 34O 4s -0.032668 -0.066993 -0.008082 0.704030 -0.793728 -0.367734 34O 5s -0.026952 0.105482 0.028874 0.548388 -0.335078 -0.166871 34O 1pz -0.006889 0.007737 -0.034832 -0.010224 0.034392 0.001795 34O 1px 0.003357 0.018980 -0.000288 -0.110045 0.106521 0.038687 34O 1py -0.001901 -0.016171 -0.026977 0.020477 -0.035889 -0.022235 34O 2pz 0.030040 -0.029786 0.141258 0.064562 -0.135115 -0.007705 34O 2px -0.020659 -0.050989 0.012796 0.585684 -0.643223 -0.264650 34O 2py 0.009028 0.041104 0.103843 -0.161555 0.212786 0.124596 34O 3pz 0.003824 -0.046111 -0.003607 0.035192 0.063897 0.034783 34O 3px 0.027622 0.012634 0.024590 0.272664 -0.148717 -0.101518 34O 3py -0.025764 0.032899 -0.001121 -0.118865 -0.023388 0.003019 34O 1dz2 0.023711 -0.021279 0.057999 -0.090642 0.091145 0.002154 34O 1dxz 0.016848 -0.021255 0.104701 0.000050 -0.099453 0.031974 34O 1dyz -0.007994 -0.018203 -0.049223 -0.129542 0.009412 -0.005876 34O 1dx2y2 0.006835 -0.040065 0.062413 0.069979 -0.097958 -0.031612 34O 1dxy 0.016566 -0.001032 0.056686 0.047786 -0.014868 0.049907 34O 2dz2 -0.001499 0.029157 -0.006143 -0.093996 0.103953 0.054093 34O 2dxz 0.007619 -0.005676 0.059156 0.045485 -0.033266 -0.004224 34O 2dyz 0.001282 0.013024 -0.014550 0.041385 0.011913 0.002127 34O 2dx2y2 -0.001857 -0.015491 0.016938 0.155660 -0.156340 -0.057729 34O 2dxy 0.009395 0.016553 0.046075 -0.123676 0.112778 0.055973 34O 1f0 -0.014206 0.024409 -0.125445 -0.040119 0.093624 -0.028233 34O 1f+1 0.020495 0.058517 0.121049 -0.194493 0.223835 0.061591 34O 1f-1 -0.013930 -0.020289 -0.104501 0.067485 -0.046900 -0.018730 34O 1f+2 0.017239 0.026892 0.125235 0.072502 -0.073773 0.044898 34O 1f-2 -0.013741 0.058221 -0.135325 -0.088490 0.064747 -0.009069 34O 1f+3 -0.022852 0.038994 -0.168721 -0.148659 0.194327 0.047469 34O 1f-3 -0.014964 -0.032135 -0.036369 0.120748 -0.080061 -0.088949 35O 1s 0.000688 -0.000916 0.000037 0.003694 0.004963 0.001852 35O 2s 0.002317 -0.005104 -0.000168 0.013982 0.021320 0.007914 35O 3s -0.031544 0.098098 0.007927 -0.189789 -0.335920 -0.124006 35O 4s 0.098540 -0.260609 -0.031576 0.423238 0.932007 0.331545 35O 5s 0.124004 -0.180639 -0.020135 0.428953 0.530389 0.201272 35O 1pz 0.003690 0.016523 -0.015885 -0.001573 -0.034973 -0.042862 35O 1px 0.003424 0.021378 -0.009131 -0.068222 -0.110857 -0.061811 35O 1py 0.007730 0.021640 0.035003 -0.036893 -0.084133 0.016870 35O 2pz -0.007193 -0.067652 0.064644 0.051707 0.204084 0.192020 35O 2px 0.028101 -0.164344 0.024038 0.331524 0.669448 0.322178 35O 2py -0.010848 -0.107658 -0.145443 0.195040 0.455717 -0.011757 35O 3pz 0.025916 -0.073173 0.018311 0.094923 -0.024992 -0.035304 35O 3px 0.079320 -0.103143 0.011830 0.147801 0.214019 0.040871 35O 3py 0.058618 -0.065784 0.006319 0.115570 0.064403 0.040195 35O 1dz2 0.002262 0.022016 0.067839 0.018152 -0.017015 -0.054588 35O 1dxz 0.009930 -0.024196 0.066873 -0.085540 -0.047476 0.115752 35O 1dyz -0.005495 0.039857 -0.014522 0.073081 0.018320 0.109952 35O 1dx2y2 0.010038 -0.030380 0.089998 0.053635 0.033489 0.183283 35O 1dxy -0.003674 -0.031174 -0.047176 0.054841 0.150461 -0.179814 35O 2dz2 -0.003575 0.037055 0.006569 -0.081115 -0.130423 -0.032717 35O 2dxz 0.004094 -0.025166 0.030218 0.072455 0.105904 0.064945 35O 2dyz 0.007534 -0.035017 0.006516 -0.006602 0.039110 0.003563 35O 2dx2y2 0.008490 -0.045550 0.036293 0.042638 0.102977 0.069559 35O 2dxy 0.005857 -0.062696 -0.054338 0.102366 0.192512 0.053484 35O 1f0 0.002413 0.005806 0.002587 -0.040705 -0.025504 -0.199200 35O 1f+1 0.015000 0.041798 0.134493 -0.049143 -0.123807 -0.110180 35O 1f-1 0.011331 -0.015775 0.089087 -0.069388 -0.093879 0.047897 35O 1f+2 0.002303 0.030221 0.170368 -0.005981 0.016421 0.099135 35O 1f-2 -0.000936 -0.044589 -0.009666 0.087518 0.084352 0.145020 35O 1f+3 -0.012513 0.040800 -0.190054 0.016658 0.040323 -0.327411 35O 1f-3 0.012614 0.114073 -0.024288 -0.156326 -0.325409 0.081715 672 673 674 675 676 677 6.05108 6.05216 6.05380 6.08225 6.08496 6.09435 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s -0.000623 -0.000014 -0.000044 -0.000010 -0.000106 -0.000372 0Rh 2s 0.004538 0.000014 0.000461 0.000171 0.000715 0.002895 0Rh 3s -0.001101 -0.000078 0.000008 0.000038 -0.000224 -0.000555 0Rh 4s -0.028782 -0.000136 -0.002862 -0.001010 -0.004597 -0.018506 0Rh 5s 0.078710 0.000099 0.008433 0.002802 0.012747 0.052604 0Rh 6s -0.093032 0.001811 -0.013703 -0.003866 -0.015783 -0.065386 0Rh 7s 0.075537 -0.026973 0.079051 -0.011501 0.060876 -0.210390 0Rh 8s -0.104753 0.010802 -0.023460 0.027830 -0.012629 -0.515103 0Rh 1pz 0.006922 0.022299 -0.020307 -0.026028 0.088043 -0.014481 0Rh 1px -0.034252 0.014747 -0.007447 0.009252 0.029768 -0.080990 0Rh 1py -0.010691 -0.029319 -0.017172 -0.093015 -0.019951 -0.063925 0Rh 2pz -0.028915 -0.093157 0.084742 0.108726 -0.367657 0.060387 0Rh 2px 0.143067 -0.061601 0.031097 -0.038637 -0.124285 0.338767 0Rh 2py 0.044648 0.122351 0.071785 0.388407 0.083346 0.267160 0Rh 3pz 0.095094 0.306596 -0.276807 -0.357197 1.205156 -0.196140 0Rh 3px -0.470341 0.202717 -0.102151 0.126778 0.406782 -1.122173 0Rh 3py -0.146682 -0.399782 -0.237285 -1.273004 -0.273953 -0.880162 0Rh 4pz -0.126120 -0.408812 0.361248 0.472852 -1.585095 0.251508 0Rh 4px 0.623620 -0.270471 0.136125 -0.167370 -0.532450 1.511621 0Rh 4py 0.194270 0.522698 0.320138 1.674128 0.363181 1.170116 0Rh 5pz 0.072197 0.243806 -0.197232 -0.274713 0.896277 -0.122786 0Rh 5px -0.357765 0.163655 -0.084812 0.096483 0.292924 -0.926067 0Rh 5py -0.111311 -0.289540 -0.199978 -0.946122 -0.212354 -0.677205 0Rh 6pz -0.043934 0.076483 0.074254 0.084044 -0.393015 -0.293589 0Rh 6px 0.244978 -0.051442 0.126483 -0.050051 -0.074648 1.500140 0Rh 6py 0.060957 0.138024 -0.080473 0.370576 0.053726 0.418358 0Rh 1dz2 -0.001245 0.001371 0.001722 0.001204 -0.005313 -0.000284 0Rh 1dxz 0.001752 -0.000582 -0.001168 -0.002232 0.008059 0.005466 0Rh 1dyz -0.005785 0.000296 -0.001180 0.003292 0.001930 -0.000323 0Rh 1dx2y2 -0.001092 0.001218 -0.000967 0.002376 0.003047 -0.003476 0Rh 1dxy -0.001485 -0.002500 0.001426 -0.008547 -0.000617 0.004819 0Rh 2dz2 0.000733 -0.000226 -0.000451 -0.000389 0.001631 0.001570 0Rh 2dxz 0.000042 0.000420 0.000342 0.000618 -0.002507 0.000407 0Rh 2dyz 0.002495 -0.000143 0.000227 -0.000996 -0.000402 0.000403 0Rh 2dx2y2 -0.000985 -0.000134 0.000532 -0.000655 -0.000915 -0.002021 0Rh 2dxy 0.000154 0.000765 -0.000545 0.002610 0.000217 -0.002526 0Rh 3dz2 0.002814 -0.006101 -0.006860 -0.004488 0.020139 -0.006718 0Rh 3dxz -0.009773 0.001071 0.004504 0.008796 -0.030429 -0.031430 0Rh 3dyz 0.018624 -0.000895 0.005129 -0.012621 -0.008257 -0.000431 0Rh 3dx2y2 0.011018 -0.005772 0.002539 -0.009370 -0.011655 0.029202 0Rh 3dxy 0.007388 0.009457 -0.004886 0.032480 0.002177 -0.012659 0Rh 4dz2 -0.001911 0.013247 0.014061 0.009256 -0.040908 0.027985 0Rh 4dxz 0.026847 -0.001508 -0.009103 -0.018211 0.061750 0.081437 0Rh 4dyz -0.037103 0.001716 -0.011431 0.026526 0.017929 0.004561 0Rh 4dx2y2 -0.035139 0.013049 -0.004238 0.019497 0.023866 -0.087047 0Rh 4dxy -0.020209 -0.019012 0.009577 -0.065833 -0.003983 0.014683 0Rh 5dz2 -0.024588 -0.012555 -0.017731 -0.015805 0.058656 -0.098483 0Rh 5dxz -0.066123 -0.007313 0.012964 0.031577 -0.091301 -0.164970 0Rh 5dyz 0.025546 -0.005039 0.017046 -0.040758 -0.033416 -0.025620 0Rh 5dx2y2 0.101011 -0.025065 0.001637 -0.030984 -0.037931 0.219371 0Rh 5dxy 0.044035 0.024977 -0.001141 0.099173 0.006662 0.035109 0Rh 1f0 -0.005593 -0.004641 -0.001777 -0.008964 -0.006817 -0.016402 0Rh 1f+1 0.004921 0.001798 -0.001762 -0.002559 0.001602 0.008428 0Rh 1f-1 -0.000933 0.002121 -0.007967 -0.016536 0.008931 -0.009488 0Rh 1f+2 0.006902 -0.008400 0.000955 -0.000330 -0.015388 0.018695 0Rh 1f-2 0.002768 -0.004460 -0.004732 -0.011332 -0.003682 0.000567 0Rh 1f+3 0.009253 0.006245 0.000128 0.003749 0.008159 0.019862 0Rh 1f-3 0.006146 -0.001238 -0.002801 -0.003160 -0.002463 0.009867 1Rh 1s 0.000624 -0.000037 -0.000035 -0.000006 -0.000116 0.000372 1Rh 2s -0.004552 0.000178 0.000398 0.000141 0.000781 -0.002896 1Rh 3s 0.001099 -0.000119 0.000023 0.000045 -0.000244 0.000555 1Rh 4s 0.028867 -0.001175 -0.002459 -0.000822 -0.005019 0.018515 1Rh 5s -0.078972 0.002944 0.007343 0.002275 0.013889 -0.052635 1Rh 6s 0.093535 -0.001556 -0.012441 -0.003231 -0.017118 0.065435 1Rh 7s -0.079576 -0.024161 0.077105 -0.010274 0.065023 0.209520 1Rh 8s 0.106391 0.005895 -0.023364 0.030716 -0.011185 0.515026 1Rh 1pz 0.005214 -0.022570 0.020190 0.025704 -0.087402 -0.014279 1Rh 1px -0.035099 -0.013551 0.007139 -0.009899 -0.029902 -0.080892 1Rh 1py -0.010307 0.029568 0.016791 0.092358 0.019960 -0.064758 1Rh 2pz -0.021786 0.094291 -0.084253 -0.107372 0.364978 0.059543 1Rh 2px 0.146603 0.056608 -0.029812 0.041344 0.124844 0.338359 1Rh 2py 0.043049 -0.123389 -0.070195 -0.385663 -0.083384 0.270635 1Rh 3pz 0.071751 -0.310327 0.275195 0.352762 -1.196323 -0.193379 1Rh 3px -0.481949 -0.186295 0.097952 -0.135718 -0.408655 -1.120832 1Rh 3py -0.141538 0.403201 0.232050 1.263968 0.274051 -0.891543 1Rh 4pz -0.095427 0.413772 -0.359084 -0.467027 1.573330 0.247895 1Rh 4px 0.639041 0.248674 -0.130653 0.179341 0.535057 1.509893 1Rh 4py 0.187839 -0.527266 -0.313164 -1.662141 -0.363224 1.185039 1Rh 5pz 0.054873 -0.246679 0.195869 0.271477 -0.889379 -0.120817 1Rh 5px -0.367105 -0.151094 0.081975 -0.103670 -0.294819 -0.925287 1Rh 5py -0.108444 0.292268 0.195869 0.939264 0.212151 -0.685584 1Rh 6pz -0.040804 -0.074242 -0.071230 -0.084434 0.387494 -0.293137 1Rh 6px 0.252300 0.042481 -0.129360 0.060024 0.084399 1.500232 1Rh 6py 0.054905 -0.140475 0.083058 -0.367568 -0.050217 0.425869 1Rh 1dz2 0.001175 0.001440 0.001787 0.001212 -0.005334 0.000303 1Rh 1dxz -0.001702 -0.000560 -0.001200 -0.002292 0.008112 -0.005465 1Rh 1dyz 0.005849 0.000442 -0.001004 0.003279 0.001888 0.000264 1Rh 1dx2y2 0.001165 0.001203 -0.000908 0.002387 0.003041 0.003455 1Rh 1dxy 0.001365 -0.002413 0.001446 -0.008600 -0.000599 -0.004718 1Rh 2dz2 -0.000718 -0.000227 -0.000480 -0.000407 0.001632 -0.001578 1Rh 2dxz -0.000054 0.000443 0.000346 0.000620 -0.002529 -0.000409 1Rh 2dyz -0.002506 -0.000196 0.000157 -0.000993 -0.000387 -0.000381 1Rh 2dx2y2 0.000956 -0.000167 0.000518 -0.000640 -0.000903 0.002024 1Rh 2dxy -0.000114 0.000720 -0.000554 0.002632 0.000217 0.002492 1Rh 3dz2 -0.002522 -0.006468 -0.007058 -0.004440 0.020247 0.006659 1Rh 3dxz 0.009564 0.000832 0.004657 0.009108 -0.030602 0.031438 1Rh 3dyz -0.018906 -0.001420 0.004541 -0.012564 -0.008109 0.000638 1Rh 3dx2y2 -0.011259 -0.005515 0.002288 -0.009510 -0.011678 -0.029105 1Rh 3dxy -0.006948 0.009223 -0.004954 0.032645 0.002089 0.012288 1Rh 4dz2 0.001301 0.014237 0.014414 0.009017 -0.041142 -0.027872 1Rh 4dxz -0.026418 -0.000749 -0.009490 -0.018970 0.062071 -0.081463 1Rh 4dyz 0.037730 0.002878 -0.010237 0.026376 0.017619 -0.004977 1Rh 4dx2y2 0.035604 0.012145 -0.003616 0.019962 0.023937 0.086828 1Rh 4dxy 0.019328 -0.018670 0.009783 -0.066090 -0.003794 -0.013931 1Rh 5dz2 0.025548 -0.014712 -0.017541 -0.014952 0.058682 0.098371 1Rh 5dxz 0.065331 -0.009514 0.013912 0.032966 -0.091773 0.165198 1Rh 5dyz -0.026560 -0.006423 0.016272 -0.040554 -0.033273 0.026285 1Rh 5dx2y2 -0.101651 -0.022018 0.000204 -0.032363 -0.037688 -0.219012 1Rh 5dxy -0.043186 0.025472 -0.001654 0.098998 0.006476 -0.036095 1Rh 1f0 -0.005453 0.004857 0.001679 0.008819 0.006782 -0.016460 1Rh 1f+1 0.004789 -0.001969 0.001809 0.002613 -0.001545 0.008409 1Rh 1f-1 -0.001281 -0.002119 0.007916 0.016446 -0.008845 -0.009537 1Rh 1f+2 0.007220 0.008161 -0.000904 0.000499 0.015368 0.018610 1Rh 1f-2 0.002768 0.004375 0.004727 0.011303 0.003687 0.000509 1Rh 1f+3 0.009014 -0.006505 -0.000053 -0.003610 -0.008046 0.019889 1Rh 1f-3 0.006095 0.000995 0.002908 0.003220 0.002491 0.009807 2C 1s -0.000157 0.000049 0.000154 0.000279 -0.000276 -0.000011 2C 2s 0.000055 0.000098 0.000054 0.000074 -0.000162 0.001075 2C 3s -0.020599 -0.004083 0.008827 0.023770 -0.018035 -0.127241 2C 4s 0.084215 0.011355 -0.036982 -0.059531 0.044123 0.634719 2C 5s -0.096737 -0.065824 0.161999 0.175116 -0.073425 -0.356090 2C 1pz 0.001212 0.004406 0.002881 -0.007683 0.002159 -0.007087 2C 1px -0.009326 -0.006699 0.002158 0.015582 -0.011160 -0.013698 2C 1py -0.001175 -0.004575 -0.008325 0.005871 0.000765 -0.012274 2C 2pz -0.022755 -0.045048 -0.046646 0.124017 -0.064568 0.173021 2C 2px 0.098151 0.055113 -0.010653 -0.113809 0.077197 0.190208 2C 2py 0.008082 0.044064 0.093066 -0.022546 -0.036460 0.229922 2C 3pz 0.006610 -0.024910 -0.010072 0.039881 -0.037100 -0.041003 2C 3px -0.022195 -0.013024 0.012878 -0.071541 0.086281 0.004533 2C 3py -0.031819 0.017451 0.074819 0.001031 0.026428 -0.042013 2C 1dz2 0.006182 0.010708 -0.000534 -0.030559 0.022105 0.020215 2C 1dxz -0.015157 -0.009977 0.016417 0.053931 -0.044003 -0.020021 2C 1dyz 0.003973 -0.000213 -0.007203 -0.003418 0.004359 0.012143 2C 1dx2y2 0.003634 0.005225 0.002800 -0.003483 0.001097 0.006163 2C 1dxy -0.011325 -0.009960 0.011501 0.039726 -0.033337 -0.017105 2C 2dz2 0.005535 -0.031189 -0.065131 0.041753 -0.018593 0.026654 2C 2dxz -0.026136 0.002177 0.076443 0.048245 -0.055827 0.021372 2C 2dyz 0.009556 0.033705 0.037274 -0.045070 0.015364 0.102727 2C 2dx2y2 0.041709 0.030243 -0.003960 -0.110088 0.071606 0.060161 2C 2dxy 0.008788 -0.026738 -0.055654 0.049227 -0.002617 -0.008540 2C 1f0 0.029401 0.005722 -0.042777 -0.046631 0.042209 0.037628 2C 1f+1 -0.021350 0.009297 0.051517 0.023901 -0.030987 -0.020557 2C 1f-1 -0.003118 0.012107 0.022617 -0.022766 0.010933 0.023091 2C 1f+2 -0.022558 0.000449 0.038723 0.027659 -0.028842 -0.021877 2C 1f-2 -0.005075 -0.025820 -0.018246 0.058742 -0.038062 -0.018043 2C 1f+3 -0.000290 -0.023619 -0.037008 0.048523 -0.025842 -0.024904 2C 1f-3 0.008941 -0.004832 -0.026270 -0.011363 0.014391 -0.009618 3C 1s 0.000102 -0.000260 -0.000033 -0.000226 -0.000194 -0.000286 3C 2s 0.000010 -0.000159 0.000105 -0.000168 -0.000003 -0.000681 3C 3s 0.006467 -0.013578 -0.003117 -0.014863 -0.021496 0.026060 3C 4s -0.021003 0.052659 -0.013945 0.052378 0.068974 -0.168193 3C 5s 0.004150 -0.117952 -0.072777 -0.106911 -0.072785 0.082069 3C 1pz 0.000015 0.007222 0.002969 0.004066 0.001657 0.005104 3C 1px 0.019310 0.003687 -0.007759 -0.009132 -0.017824 -0.015273 3C 1py 0.005619 0.003009 -0.001799 -0.001596 -0.004512 -0.004797 3C 2pz -0.003696 -0.070121 -0.037790 -0.038903 -0.021774 -0.124813 3C 2px -0.183746 -0.058534 0.057812 0.061849 0.141193 0.169646 3C 2py -0.083245 -0.042416 0.051168 0.030691 0.074900 0.156346 3C 3pz -0.022005 -0.034386 0.015477 -0.029670 -0.027404 0.000438 3C 3px -0.072032 -0.043420 0.006916 0.093809 0.075160 -0.012686 3C 3py -0.040256 -0.014933 0.021912 0.040928 0.013214 -0.019921 3C 1dz2 -0.001972 0.012478 0.003948 0.015241 0.015558 0.006166 3C 1dxz 0.012868 -0.009474 -0.008434 -0.027032 -0.033343 -0.025175 3C 1dyz 0.007123 -0.014436 -0.005992 -0.021022 -0.024607 -0.005415 3C 1dx2y2 0.011555 -0.004470 -0.003546 -0.025166 -0.030913 -0.016809 3C 1dxy -0.018139 0.014621 0.011486 0.039131 0.048185 0.022088 3C 2dz2 -0.054629 -0.055078 0.017049 0.005580 0.033813 0.007207 3C 2dxz 0.074304 -0.000508 -0.041439 -0.072635 -0.125092 -0.118855 3C 2dyz -0.003822 -0.027621 -0.002157 -0.030465 -0.034202 -0.006739 3C 2dx2y2 -0.052087 -0.012107 0.025505 0.027809 0.029543 0.045363 3C 2dxy 0.114773 0.098191 -0.023499 0.002518 -0.032042 -0.016140 3C 1f0 -0.042546 -0.031410 0.018498 0.007611 0.019677 0.010134 3C 1f+1 0.037270 0.052550 -0.008994 0.010888 -0.000305 -0.005544 3C 1f-1 0.025263 0.011959 -0.012448 -0.016931 -0.025028 -0.003110 3C 1f+2 0.034263 -0.001476 -0.021333 -0.038150 -0.053311 -0.015876 3C 1f-2 -0.037037 -0.030817 0.013944 0.017244 0.031154 0.015302 3C 1f+3 -0.035431 -0.061868 0.005547 -0.035964 -0.030299 -0.025239 3C 1f-3 0.010126 -0.024585 -0.011428 -0.048781 -0.059936 -0.056462 4C 1s 0.001205 0.000641 -0.000024 -0.000960 0.000692 0.010537 4C 2s 0.001912 0.000974 0.000006 -0.001257 0.000706 0.016634 4C 3s -0.000911 -0.002201 -0.005768 -0.034149 0.030342 -0.024899 4C 4s -0.045103 -0.005917 0.001505 0.164824 -0.143471 -0.425920 4C 5s 0.093699 0.037389 -0.051164 -0.034337 -0.008329 0.454282 4C 1pz 0.026768 0.018318 -0.018936 -0.060670 0.049857 -0.018860 4C 1px -0.098977 -0.062493 0.045295 0.183606 -0.145107 -0.164069 4C 1py -0.022930 -0.010467 0.012712 0.029375 -0.024624 -0.073090 4C 2pz 0.183976 0.142521 -0.118565 -0.402469 0.308482 0.696271 4C 2px -0.552829 -0.387611 0.511402 1.537832 -1.240759 -1.083358 4C 2py -0.086989 -0.115606 0.042840 0.349978 -0.269221 -0.032735 4C 3pz -0.025373 -0.053693 0.105950 0.030016 0.037634 0.077381 4C 3px 0.056923 0.090803 -0.005410 0.121597 -0.162190 0.051622 4C 3py 0.018750 -0.004234 0.038798 0.064158 -0.042306 0.106810 4C 1dz2 0.082828 0.022301 -0.083842 -0.097760 0.083644 0.167588 4C 1dxz -0.125496 -0.016169 0.157346 0.169368 -0.150718 -0.115663 4C 1dyz -0.016783 0.032859 0.082267 -0.024737 0.006937 0.028788 4C 1dx2y2 -0.046271 0.050801 0.132134 -0.014819 -0.009959 -0.088487 4C 1dxy -0.036106 -0.132958 -0.163753 0.203333 -0.126807 -0.208430 4C 2dz2 0.068444 0.042032 -0.142529 -0.266975 0.236201 0.058283 4C 2dxz -0.085751 -0.086032 0.184877 0.359168 -0.301515 -0.189436 4C 2dyz -0.005164 0.007369 0.023504 -0.037930 0.016414 -0.099899 4C 2dx2y2 -0.020178 -0.021818 0.021279 0.100927 -0.093182 -0.017771 4C 2dxy -0.076196 -0.071049 0.121997 0.348448 -0.256980 -0.163559 4C 1f0 -0.003867 -0.089710 -0.132979 0.148523 -0.071227 -0.099771 4C 1f+1 -0.006785 0.064194 0.114331 -0.143672 0.071829 0.050994 4C 1f-1 -0.006147 0.052310 0.104705 -0.054553 0.009061 0.074478 4C 1f+2 0.043106 0.078214 0.055909 -0.152562 0.092522 0.129927 4C 1f-2 0.034554 -0.018738 -0.114223 -0.011255 0.044124 0.023993 4C 1f+3 0.122233 -0.050479 -0.273645 -0.088355 0.137093 0.094682 4C 1f-3 0.063869 0.038896 -0.058032 -0.083878 0.075336 0.113747 5C 1s 0.000750 0.001818 -0.000183 0.000955 0.000235 -0.003225 5C 2s 0.001110 0.002865 -0.000261 0.001617 0.000254 -0.005226 5C 3s -0.004235 0.007239 0.004826 0.013106 0.033227 0.049081 5C 4s -0.023570 -0.104162 -0.024778 -0.089693 -0.157463 -0.036937 5C 5s -0.005750 0.038450 0.015828 -0.008610 0.001854 -0.133452 5C 1pz -0.036679 0.014520 0.021560 0.044922 0.058514 0.065796 5C 1px 0.097465 -0.062061 -0.054388 -0.144374 -0.173641 -0.155278 5C 1py 0.017858 -0.009718 -0.012929 -0.025299 -0.033253 -0.057115 5C 2pz -0.117679 0.245231 0.100195 0.363463 0.424285 0.190974 5C 2px 0.443112 -0.658100 -0.371834 -1.227156 -1.482948 -1.214676 5C 2py 0.105995 -0.041198 -0.025877 -0.190104 -0.234424 -0.092649 5C 3pz 0.004828 -0.020660 -0.059658 0.010113 0.036863 0.010035 5C 3px 0.042277 -0.003344 0.084573 -0.167393 -0.113748 0.027840 5C 3py 0.023978 0.040258 0.036388 0.029406 -0.018393 0.129237 5C 1dz2 -0.148618 -0.069691 0.072050 0.069550 0.101762 0.053668 5C 1dxz 0.266783 0.180428 -0.112391 -0.101643 -0.166993 -0.172650 5C 1dyz 0.036686 -0.040024 -0.025843 -0.065442 -0.079073 -0.078901 5C 1dx2y2 0.075749 -0.016924 -0.035527 -0.097741 -0.120601 -0.109430 5C 1dxy 0.057431 0.206755 0.002331 0.129874 0.139172 0.192106 5C 2dz2 -0.034466 0.075569 0.036973 0.132336 0.177427 0.047053 5C 2dxz 0.001538 -0.098992 -0.019739 -0.130685 -0.173021 -0.040851 5C 2dyz 0.013854 -0.097609 -0.046645 -0.146619 -0.173485 -0.080229 5C 2dx2y2 -0.006072 -0.187870 -0.068927 -0.234013 -0.276724 -0.179866 5C 2dxy 0.015901 0.268142 0.050690 0.336425 0.354060 0.126674 5C 1f0 -0.134600 -0.214073 0.025443 -0.069537 -0.026460 -0.027133 5C 1f+1 0.127185 0.153455 -0.041351 0.065001 0.029196 0.152182 5C 1f-1 0.102867 0.089810 -0.041274 0.010254 -0.022720 0.005836 5C 1f+2 0.053927 0.160896 0.011118 0.094924 0.080706 0.021498 5C 1f-2 -0.158806 -0.110356 0.066305 0.038349 0.093442 0.100666 5C 1f+3 -0.252275 -0.126547 0.115467 0.136451 0.234146 0.159295 5C 1f-3 -0.076798 -0.047147 0.027562 0.078028 0.112752 0.132224 6C 1s -0.000697 0.001847 -0.000171 0.000996 0.000282 0.003202 6C 2s -0.001027 0.002909 -0.000236 0.001683 0.000329 0.005170 6C 3s 0.004572 0.008370 0.004892 0.013407 0.033687 -0.049029 6C 4s 0.020522 -0.110423 -0.025821 -0.093047 -0.162062 0.037675 6C 5s 0.005370 0.038912 0.019491 -0.007370 0.004135 0.129454 6C 1pz -0.036631 -0.015326 -0.023059 -0.044378 -0.057751 0.066289 6C 1px 0.097756 0.065091 0.058710 0.142998 0.171800 -0.156807 6C 1py 0.017724 0.010326 0.013557 0.024777 0.032568 -0.057327 6C 2pz -0.120578 -0.251644 -0.106052 -0.361856 -0.419885 0.196126 6C 2px 0.453766 0.674600 0.393715 1.216747 1.467592 -1.230817 6C 2py 0.107976 0.042293 0.030573 0.187964 0.233397 -0.094775 6C 3pz 0.003956 0.021142 0.060913 -0.008546 -0.038251 0.011592 6C 3px 0.045912 0.001504 -0.083504 0.168466 0.112315 0.024727 6C 3py 0.023439 -0.042329 -0.036403 -0.030093 0.019706 0.127335 6C 1dz2 0.144655 -0.070804 0.077031 0.068933 0.100209 -0.054269 6C 1dxz -0.259716 0.183542 -0.120878 -0.099493 -0.164341 0.173279 6C 1dyz -0.036637 -0.041860 -0.027500 -0.064807 -0.077684 0.079653 6C 1dx2y2 -0.075788 -0.018249 -0.039018 -0.096671 -0.119566 0.110433 6C 1dxy -0.052492 0.213465 0.002158 0.128654 0.137397 -0.194249 6C 2dz2 0.037154 0.076210 0.039004 0.132820 0.177238 -0.048917 6C 2dxz -0.004506 -0.099547 -0.020011 -0.129588 -0.172207 0.042313 6C 2dyz -0.016227 -0.097567 -0.047906 -0.145633 -0.171884 0.082281 6C 2dx2y2 0.001787 -0.191010 -0.070082 -0.233359 -0.275749 0.183204 6C 2dxy -0.008153 0.270701 0.051762 0.334926 0.352560 -0.130811 6C 1f0 -0.129346 0.219669 -0.028611 0.069936 0.025954 -0.028622 6C 1f+1 0.121328 -0.158017 0.044249 -0.063804 -0.029746 0.153276 6C 1f-1 0.098985 -0.091574 0.044166 -0.010349 0.021799 0.006048 6C 1f+2 0.050952 -0.164604 -0.010304 -0.095238 -0.079302 0.022923 6C 1f-2 -0.154527 0.112228 -0.071525 -0.036986 -0.091771 0.101029 6C 1f+3 -0.246851 0.128868 -0.123945 -0.134659 -0.231751 0.160407 6C 1f-3 -0.075950 0.047708 -0.030312 -0.076254 -0.112314 0.132858 7C 1s -0.001189 0.000636 -0.000086 -0.001075 0.000758 -0.010539 7C 2s -0.001885 0.000975 -0.000088 -0.001429 0.000798 -0.016613 7C 3s 0.000482 -0.003047 -0.005694 -0.034804 0.031212 0.023044 7C 4s 0.047342 -0.002341 0.003971 0.173126 -0.150762 0.433773 7C 5s -0.091239 0.041650 -0.054692 -0.039826 -0.005556 -0.454130 7C 1pz 0.025855 -0.017207 0.019743 0.060014 -0.049083 -0.018652 7C 1px -0.096158 0.059093 -0.048225 -0.184188 0.144290 -0.163681 7C 1py -0.022242 0.010076 -0.013719 -0.029878 0.024756 -0.073085 7C 2pz 0.175627 -0.138646 0.122824 0.406733 -0.307904 0.693181 7C 2px -0.526081 0.372866 -0.525357 -1.540664 1.233746 -1.084034 7C 2py -0.084161 0.110542 -0.042708 -0.348778 0.266305 -0.033836 7C 3pz -0.021317 0.055439 -0.104929 -0.028631 -0.036962 0.072830 7C 3px 0.054571 -0.093396 0.006295 -0.121656 0.160556 0.052318 7C 3py 0.020099 0.003605 -0.036145 -0.063409 0.042812 0.104310 7C 1dz2 -0.079755 0.022571 -0.087876 -0.098678 0.083517 -0.167909 7C 1dxz 0.119968 -0.016319 0.164057 0.169106 -0.149571 0.116209 7C 1dyz 0.014843 0.029724 0.084770 -0.024648 0.006636 -0.028011 7C 1dx2y2 0.042522 0.046548 0.136762 -0.013602 -0.011179 0.089009 7C 1dxy 0.039120 -0.123077 -0.167121 0.203618 -0.125243 0.206991 7C 2dz2 -0.062318 0.042438 -0.144607 -0.266627 0.235291 -0.059734 7C 2dxz 0.075523 -0.086622 0.185337 0.359145 -0.300036 0.187349 7C 2dyz 0.004095 0.006788 0.024473 -0.037040 0.015872 0.099743 7C 2dx2y2 0.019453 -0.020653 0.020719 0.101252 -0.093385 0.019433 7C 2dxy 0.070287 -0.070423 0.122974 0.350989 -0.258051 0.164935 7C 1f0 -0.006505 0.083294 0.137230 -0.148261 0.069715 -0.098437 7C 1f+1 -0.004764 -0.058047 -0.119157 0.143379 -0.070748 0.049477 7C 1f-1 -0.003349 -0.047732 -0.106954 0.054547 -0.008481 0.073866 7C 1f+2 0.043469 -0.073570 -0.056918 0.152386 -0.091069 0.128853 7C 1f-2 0.031025 0.014375 0.116654 0.012507 -0.044757 0.025125 7C 1f+3 0.113345 0.044466 0.282471 0.089409 -0.137841 0.095828 7C 1f-3 0.061959 -0.038682 0.061483 0.084465 -0.074926 0.115070 8C 1s -0.000108 -0.000267 -0.000035 -0.000232 -0.000193 0.000305 8C 2s -0.000020 -0.000160 0.000112 -0.000165 0.000006 0.000684 8C 3s -0.006800 -0.014347 -0.003664 -0.015647 -0.022423 -0.024981 8C 4s 0.023032 0.055734 -0.012195 0.055865 0.073379 0.164251 8C 5s -0.005018 -0.121517 -0.076747 -0.111470 -0.073806 -0.078678 8C 1pz 0.000175 -0.007534 -0.002957 -0.004082 -0.001433 0.005132 8C 1px 0.018932 -0.003423 0.008420 0.008999 0.017581 -0.015409 8C 1py 0.005576 -0.003132 0.001983 0.001525 0.004411 -0.004818 8C 2pz -0.005806 0.073810 0.037765 0.038659 0.018783 -0.125692 8C 2px -0.179678 0.055619 -0.064281 -0.060307 -0.138653 0.170504 8C 2py -0.081878 0.043825 -0.054221 -0.029451 -0.073141 0.157758 8C 3pz -0.021722 0.036505 -0.016590 0.029503 0.027583 0.000259 8C 3px -0.070338 0.044605 -0.008297 -0.093436 -0.074976 -0.011790 8C 3py -0.039863 0.016202 -0.024139 -0.041772 -0.012839 -0.019469 8C 1dz2 0.001975 0.012744 0.003979 0.015134 0.015221 -0.006181 8C 1dxz -0.013007 -0.009708 -0.008956 -0.026743 -0.033047 0.025492 8C 1dyz -0.007263 -0.014850 -0.006312 -0.021061 -0.024489 0.005722 8C 1dx2y2 -0.011779 -0.004570 -0.003962 -0.024923 -0.030788 0.016950 8C 1dxy 0.018295 0.014966 0.012211 0.038973 0.047870 -0.022630 8C 2dz2 0.053509 -0.057998 0.018591 0.004252 0.032356 -0.005814 8C 2dxz -0.073798 -0.000484 -0.044168 -0.071337 -0.123851 0.120008 8C 2dyz 0.002126 -0.028187 -0.002864 -0.031252 -0.035181 0.007888 8C 2dx2y2 0.051302 -0.011775 0.027695 0.028573 0.029416 -0.047074 8C 2dxy -0.110928 0.099608 -0.026375 0.003941 -0.030608 0.014732 8C 1f0 -0.041347 0.032032 -0.019918 -0.007759 -0.019571 0.010565 8C 1f+1 0.036001 -0.053704 0.010063 -0.011073 0.000498 -0.005226 8C 1f-1 0.024478 -0.012063 0.013241 0.016961 0.024709 -0.003152 8C 1f+2 0.033663 0.001662 0.022558 0.038174 0.052976 -0.016592 8C 1f-2 -0.036054 0.031743 -0.015007 -0.016748 -0.030763 0.015032 8C 1f+3 -0.033871 0.063407 -0.006465 0.035625 0.029856 -0.025323 8C 1f-3 0.010855 0.025394 0.012121 0.048388 0.059869 -0.057248 9C 1s 0.000156 0.000051 0.000147 0.000281 -0.000270 0.000026 9C 2s -0.000054 0.000107 0.000038 0.000057 -0.000144 -0.001070 9C 3s 0.020416 -0.004251 0.009777 0.025871 -0.019299 0.127988 9C 4s -0.082994 0.012443 -0.040898 -0.069299 0.049932 -0.636660 9C 5s 0.090948 -0.070419 0.163448 0.181314 -0.078464 0.362711 9C 1pz 0.001260 -0.004167 -0.003072 0.007508 -0.001968 -0.007114 9C 1px -0.009186 0.006155 -0.002760 -0.015481 0.011159 -0.013653 9C 1py -0.001465 0.004240 0.008465 -0.006036 -0.000734 -0.012246 9C 2pz -0.024564 0.041783 0.048857 -0.121074 0.061485 0.172500 9C 2px 0.097392 -0.050397 0.016695 0.113076 -0.077146 0.189881 9C 2py 0.010469 -0.040881 -0.095131 0.024454 0.036107 0.227704 9C 3pz 0.006907 0.023753 0.011624 -0.040618 0.037756 -0.041934 9C 3px -0.020570 0.016041 -0.009950 0.072155 -0.085314 0.003505 9C 3py -0.030083 -0.014800 -0.077480 -0.001306 -0.026129 -0.042331 9C 1dz2 -0.005980 0.010174 -0.000606 -0.030610 0.022003 -0.020023 9C 1dxz 0.014424 -0.009434 0.017189 0.053980 -0.043950 0.020024 9C 1dyz -0.003642 -0.000116 -0.007418 -0.003535 0.004451 -0.012203 9C 1dx2y2 -0.003695 0.005193 0.002935 -0.003568 0.001083 -0.006264 9C 1dxy 0.010571 -0.009406 0.011983 0.039480 -0.033084 0.016672 9C 2dz2 -0.003746 -0.028014 -0.067363 0.040804 -0.017338 -0.026024 9C 2dxz 0.024047 -0.001018 0.077147 0.050245 -0.057617 -0.017956 9C 2dyz -0.009840 0.031458 0.038509 -0.045295 0.015065 -0.102490 9C 2dx2y2 -0.041206 0.028235 -0.004403 -0.110078 0.070627 -0.059877 9C 2dxy -0.009192 -0.024494 -0.059797 0.045613 0.000434 0.004415 9C 1f0 0.027727 -0.006224 0.044224 0.046341 -0.041787 0.037306 9C 1f+1 -0.019429 -0.008453 -0.053551 -0.023109 0.030698 -0.019931 9C 1f-1 -0.002479 -0.011108 -0.023044 0.023139 -0.011131 0.023026 9C 1f+2 -0.021327 0.000210 -0.039976 -0.027859 0.028939 -0.022755 9C 1f-2 -0.005480 0.024142 0.017829 -0.058774 0.038197 -0.017961 9C 1f+3 -0.001315 0.021812 0.037856 -0.049204 0.026139 -0.024936 9C 1f-3 0.008005 0.004405 0.027212 0.010824 -0.014152 -0.009820 10H 1s -0.027861 -0.013303 0.023398 0.047222 -0.035622 -0.031435 10H 2s -0.087878 -0.054537 0.027148 0.201590 -0.147948 -0.152954 10H 3s 0.039768 0.008688 -0.029733 -0.024501 -0.003749 0.077749 10H 1pz -0.024926 -0.020625 -0.000459 0.064330 -0.044234 -0.056747 10H 1px 0.024927 0.010018 -0.021177 -0.046506 0.036778 0.029458 10H 1py -0.012938 -0.009961 0.004779 0.027826 -0.024272 -0.029483 11H 1s -0.001691 0.003780 0.004247 -0.005676 0.006883 -0.012987 11H 2s 0.028073 -0.010387 -0.093336 0.004244 0.031306 -0.012063 11H 3s 0.016126 -0.010864 -0.030201 -0.045747 0.011105 0.058500 11H 1pz 0.009032 -0.011834 -0.039728 0.007458 0.007601 -0.013404 11H 1px 0.004110 0.003365 -0.006964 -0.009971 0.008835 -0.005080 11H 1py 0.007073 -0.005581 -0.014733 -0.002870 0.003525 0.005719 12H 1s 0.011090 0.003865 -0.010313 -0.014031 0.008180 0.006939 12H 2s 0.025328 0.067646 0.077630 -0.115213 0.033875 0.107595 12H 3s -0.014676 0.021667 0.015518 -0.018603 0.048530 0.024357 12H 1pz -0.008040 0.020505 0.043039 -0.020788 0.006321 0.005617 12H 1px 0.006130 0.008468 0.001992 -0.020153 0.010696 0.007252 12H 1py 0.006592 0.024500 0.026651 -0.036329 0.013219 0.027113 13H 1s 0.009268 -0.030656 -0.013377 -0.030500 -0.037780 -0.028647 13H 2s 0.113231 -0.029156 -0.063123 -0.127312 -0.186212 -0.203457 13H 3s 0.014857 0.035089 0.009520 -0.016095 0.013600 0.042430 13H 1pz 0.028413 -0.015603 -0.018208 -0.040610 -0.051615 -0.050427 13H 1px -0.001987 0.022424 0.005926 0.019036 0.026343 0.026901 13H 1py -0.048023 -0.008224 0.022229 0.033141 0.051976 0.036018 14H 1s 0.001561 0.010051 -0.002113 0.011876 0.018681 0.032288 14H 2s -0.138168 -0.068134 0.049883 0.059435 0.137970 0.121814 14H 3s -0.030811 -0.012281 0.026648 0.049705 0.009292 -0.048268 14H 1pz -0.036081 -0.023298 0.012269 0.015022 0.030367 0.028320 14H 1px -0.030632 -0.008167 0.011178 0.021537 0.040145 0.039291 14H 1py 0.053528 0.040763 -0.020756 -0.012060 -0.027220 -0.019261 15H 1s -0.006562 -0.003227 0.003591 0.004109 0.002870 0.010765 15H 2s 0.052636 0.073805 -0.002117 0.015872 -0.016233 0.002482 15H 3s 0.010963 0.026193 -0.000705 0.008579 0.033467 -0.030469 15H 1pz 0.011376 0.009851 -0.004546 -0.001677 -0.002503 -0.003528 15H 1px -0.003886 0.004248 0.002391 0.006189 0.010896 0.012906 15H 1py -0.025850 -0.031263 0.003566 -0.001692 0.010311 0.004906 16H 1s 0.008102 0.004277 -0.011426 -0.001371 0.025644 0.010334 16H 2s 0.027903 -0.032300 0.026327 -0.011413 0.019222 0.070877 16H 3s -0.000877 0.002801 -0.002559 -0.013669 0.008425 -0.002633 16H 1pz 0.015236 -0.001548 -0.000456 -0.001665 0.022099 0.023806 16H 1px -0.006161 -0.008793 0.002448 -0.009195 0.011622 -0.015679 16H 1py 0.001858 -0.005105 -0.006585 0.000046 0.009929 -0.011339 17H 1s -0.001702 -0.002140 -0.007366 0.011506 -0.027634 -0.018657 17H 2s 0.011302 0.000613 0.035586 0.000590 0.014006 0.050257 17H 3s -0.010699 -0.001070 -0.001452 -0.011346 -0.009143 -0.009744 17H 1pz 0.001789 0.004649 -0.007258 -0.001053 0.014186 0.009523 17H 1px -0.000167 0.002716 0.007644 -0.018226 -0.001788 0.000753 17H 1py -0.004622 0.007535 -0.000468 0.006444 -0.011489 -0.026346 18H 1s 0.001777 -0.002139 -0.006875 0.012210 -0.028549 0.018621 18H 2s -0.012913 0.002114 0.035426 0.000013 0.016078 -0.048798 18H 3s 0.010893 -0.000923 -0.001525 -0.011061 -0.009025 0.010322 18H 1pz 0.001352 -0.004242 0.007585 0.001578 -0.014425 0.010218 18H 1px 0.000041 -0.002530 -0.007475 0.018247 0.002258 0.001419 18H 1py -0.004649 -0.007688 0.000536 -0.006676 0.011347 -0.026442 19H 1s -0.007387 0.004464 -0.011717 -0.001832 0.024999 -0.011180 19H 2s -0.029530 -0.031290 0.025838 -0.011207 0.021591 -0.071857 19H 3s 0.000672 0.002698 -0.002553 -0.013818 0.008651 0.002396 19H 1pz 0.014964 0.000958 0.000986 0.001613 -0.022483 0.024874 19H 1px -0.006081 0.008759 -0.003009 0.009324 -0.011024 -0.016004 19H 1py 0.001974 0.005454 0.006606 0.000215 -0.010651 -0.010075 20H 1s 0.006565 -0.003316 0.003917 0.004160 0.002865 -0.010643 20H 2s -0.052503 0.077150 -0.003375 0.016825 -0.016790 -0.003163 20H 3s -0.010574 0.027514 -0.001262 0.009058 0.034493 0.030286 20H 1pz 0.011247 -0.010362 0.005069 0.001678 0.002390 -0.003423 20H 1px -0.003659 -0.004764 -0.002504 -0.006157 -0.010660 0.013106 20H 1py -0.025777 0.032664 -0.004415 0.001990 -0.010470 0.004924 21H 1s -0.001085 0.010471 -0.002164 0.011252 0.018381 -0.031990 21H 2s 0.135759 -0.069386 0.054543 0.056986 0.135853 -0.121320 21H 3s 0.029554 -0.013058 0.027898 0.050558 0.009678 0.047253 21H 1pz -0.035493 0.023915 -0.013438 -0.014389 -0.030030 0.028268 21H 1px -0.030216 0.008189 -0.012192 -0.020745 -0.039360 0.038966 21H 1py 0.051943 -0.041661 0.022370 0.011688 0.026674 -0.019128 22H 1s -0.009857 -0.031476 -0.014153 -0.030614 -0.037598 0.029730 22H 2s -0.111636 -0.032538 -0.067519 -0.126653 -0.184131 0.206529 22H 3s -0.014043 0.036386 0.010097 -0.015551 0.013390 -0.043410 22H 1pz 0.027948 0.016557 0.019263 0.040291 0.050805 -0.051134 22H 1px -0.002720 -0.023000 -0.006382 -0.019188 -0.026379 0.027806 22H 1py -0.046875 0.007445 -0.023830 -0.033119 -0.051574 0.036835 23H 1s -0.010462 0.003682 -0.010685 -0.013517 0.007722 -0.006106 23H 2s -0.025948 0.062907 0.080067 -0.112873 0.031284 -0.103454 23H 3s 0.014341 0.020744 0.015852 -0.019999 0.049318 -0.026043 23H 1pz -0.006965 -0.018494 -0.044040 0.020286 -0.005837 0.005327 23H 1px 0.005850 -0.007693 -0.001799 0.019378 -0.010314 0.006524 23H 1py 0.006762 -0.022908 -0.027668 0.035529 -0.012234 0.025730 24H 1s 0.001614 0.003426 0.004479 -0.005748 0.007008 0.012757 24H 2s -0.025791 -0.008015 -0.098463 0.003466 0.033272 0.008449 24H 3s -0.015774 -0.010329 -0.032005 -0.047279 0.011601 -0.057689 24H 1pz 0.008156 0.010814 0.041898 -0.007225 -0.008204 -0.012527 24H 1px 0.003875 -0.003300 0.007631 0.009903 -0.009108 -0.004809 24H 1py 0.006924 0.005300 0.016099 0.002806 -0.003618 0.005360 25H 1s 0.026817 -0.013380 0.023787 0.047647 -0.035667 0.032002 25H 2s 0.086828 -0.051154 0.030613 0.201934 -0.147714 0.154335 25H 3s -0.038546 0.010548 -0.029635 -0.024948 -0.002927 -0.079151 25H 1pz -0.025019 0.019084 -0.000949 -0.064769 0.044442 -0.057031 25H 1px 0.024019 -0.010027 0.021550 0.046690 -0.036698 0.029997 25H 1py -0.012531 0.009173 -0.005610 -0.027357 0.023889 -0.029420 26O 1s 0.002015 0.001260 -0.002237 -0.007980 0.006878 0.005650 26O 2s 0.008800 0.005545 -0.008297 -0.029496 0.024997 0.023378 26O 3s -0.140610 -0.089660 0.115073 0.407340 -0.338345 -0.353446 26O 4s 0.407562 0.262563 -0.337595 -1.136746 0.932294 0.960959 26O 5s 0.132188 0.150402 -0.239086 -0.643656 0.518834 0.227151 26O 1pz 0.012500 0.027279 0.030869 0.000787 -0.001712 0.052066 26O 1px 0.034876 0.040514 -0.015613 -0.105984 0.086171 0.091467 26O 1py 0.038354 -0.007630 -0.057015 -0.036149 0.017374 0.050036 26O 2pz -0.067321 -0.118885 -0.077612 0.127953 -0.086815 -0.193307 26O 2px -0.242939 -0.231403 0.159295 0.709105 -0.560268 -0.550162 26O 2py -0.196480 -0.022753 0.276943 0.311808 -0.234569 -0.264967 26O 3pz 0.017404 0.104314 -0.044450 -0.010685 0.027820 -0.012042 26O 3px -0.096417 0.002629 0.086760 0.327777 -0.262562 -0.247578 26O 3py 0.005073 0.004980 -0.039438 0.052766 -0.173577 -0.121730 26O 1dz2 -0.034370 -0.035674 -0.044731 -0.041883 0.001539 -0.117911 26O 1dxz 0.010747 0.042878 0.141086 -0.008637 -0.057376 0.149310 26O 1dyz -0.019425 0.053191 0.020977 -0.157241 0.141169 -0.057060 26O 1dx2y2 -0.016517 0.069378 0.123161 -0.148108 0.038935 0.040889 26O 1dxy 0.077269 -0.057242 -0.221676 -0.026982 0.082291 0.058494 26O 2dz2 -0.035638 -0.017086 0.049186 0.133084 -0.087149 -0.056816 26O 2dxz 0.026934 0.044296 -0.014098 -0.122963 0.107684 0.053328 26O 2dyz 0.027640 0.004772 0.002517 -0.004711 -0.010714 0.088264 26O 2dx2y2 0.041264 0.049599 0.007776 -0.078056 0.069475 0.122009 26O 2dxy 0.077471 0.035653 -0.068766 -0.153344 0.125773 0.145760 26O 1f0 -0.005411 0.069703 0.137783 -0.154780 0.049793 0.121177 26O 1f+1 0.047269 0.037447 0.014653 -0.134540 0.077235 0.092772 26O 1f-1 0.028991 -0.022099 -0.125686 -0.103419 0.103438 -0.028816 26O 1f+2 -0.002217 -0.075805 -0.051793 0.118803 -0.110523 -0.070625 26O 1f-2 -0.019599 -0.061962 -0.093066 0.073060 -0.042847 -0.173848 26O 1f+3 -0.047948 0.152503 0.311122 -0.092002 -0.001248 0.067388 26O 1f-3 0.147660 -0.001671 -0.213791 -0.106961 0.139446 0.225014 27O 1s -0.001391 0.003551 0.000861 0.006778 0.007676 0.004661 27O 2s -0.006063 0.012877 0.004179 0.024561 0.028242 0.018638 27O 3s 0.093858 -0.176133 -0.073012 -0.331365 -0.387991 -0.282827 27O 4s -0.235391 0.513554 0.225918 0.909396 1.078853 0.799952 27O 5s -0.145183 0.303680 0.161736 0.501917 0.575064 0.495225 27O 1pz 0.037554 0.038275 -0.012321 -0.029663 -0.020360 -0.026915 27O 1px -0.036353 0.057660 0.025760 0.083292 0.100317 0.048439 27O 1py 0.049323 0.032218 -0.027183 -0.013944 -0.014120 -0.033116 27O 2pz -0.130916 -0.160811 0.038056 0.060111 0.052299 0.086821 27O 2px 0.196782 -0.384116 -0.181020 -0.582777 -0.695782 -0.457019 27O 2py -0.217646 -0.050161 0.126710 0.169110 0.211156 0.223475 27O 3pz 0.028138 0.077052 0.017483 -0.030352 0.088222 0.008156 27O 3px 0.029173 -0.123620 -0.034739 -0.278869 -0.313482 -0.390643 27O 3py 0.028220 -0.009809 -0.087338 -0.021670 0.050426 -0.020805 27O 1dz2 -0.073213 -0.122229 0.025218 -0.042608 -0.080652 -0.037997 27O 1dxz 0.235630 0.200186 -0.066852 -0.020004 -0.129874 -0.043790 27O 1dyz 0.015092 -0.108228 -0.007041 -0.157124 -0.129860 0.038001 27O 1dx2y2 0.011208 0.057498 0.015439 0.050594 0.006043 0.046200 27O 1dxy 0.160326 0.138614 -0.061346 -0.039696 -0.106858 -0.114399 27O 2dz2 0.050193 -0.033059 -0.036737 -0.091031 -0.084674 -0.094946 27O 2dxz 0.013008 0.053687 -0.001557 0.022966 0.035107 -0.022047 27O 2dyz -0.027500 0.015888 0.006720 0.060134 0.052936 -0.016980 27O 2dx2y2 -0.037318 0.092767 0.032675 0.114288 0.152598 0.093817 27O 2dxy 0.068497 -0.032453 -0.042038 -0.116056 -0.142067 -0.118830 27O 1f0 0.199354 0.196764 -0.062422 -0.027704 -0.094091 -0.086606 27O 1f+1 0.069471 0.155911 -0.012289 0.099825 0.065138 0.142101 27O 1f-1 0.011930 -0.016453 -0.011069 -0.072301 -0.027571 -0.062680 27O 1f+2 -0.230662 -0.284592 0.079445 -0.044850 0.014135 0.120483 27O 1f-2 0.052075 0.056608 -0.020962 -0.062004 -0.069899 -0.078259 27O 1f+3 0.038942 0.166929 0.010125 0.086783 0.087259 0.051938 27O 1f-3 0.291194 0.143268 -0.114619 -0.152987 -0.262543 -0.136864 28O 1s -0.001703 -0.000965 0.002433 0.007360 -0.006440 -0.003761 28O 2s -0.007465 -0.004511 0.008778 0.027022 -0.023131 -0.014587 28O 3s 0.120981 0.075937 -0.118217 -0.365708 0.305379 0.219520 28O 4s -0.348746 -0.223961 0.341141 0.979695 -0.803669 -0.628558 28O 5s -0.154782 -0.151792 0.162541 0.480146 -0.396637 -0.530330 28O 1pz -0.021642 -0.036368 -0.005392 0.052356 -0.043373 0.003093 28O 1px 0.027098 0.013863 -0.041899 -0.083901 0.065927 0.023960 28O 1py -0.021075 0.008542 0.036283 -0.003034 0.016432 0.006996 28O 2pz 0.171094 0.192815 -0.066650 -0.450126 0.352211 0.218957 28O 2px -0.188599 -0.113567 0.226751 0.493258 -0.395173 -0.271063 28O 2py 0.097949 -0.008006 -0.161493 -0.054487 0.021720 0.044496 28O 3pz 0.058017 -0.070299 -0.055463 -0.145239 0.094129 0.215625 28O 3px -0.098502 -0.071205 0.083724 0.223744 -0.216463 -0.382230 28O 3py -0.036264 0.000432 0.048877 0.059806 0.066165 -0.019726 28O 1dz2 0.005697 -0.008440 -0.055241 0.085277 0.005164 -0.028792 28O 1dxz 0.031965 0.062396 0.080876 -0.071297 0.046269 0.075042 28O 1dyz -0.026724 0.001908 0.133316 0.102005 -0.149051 -0.042279 28O 1dx2y2 -0.033567 0.030441 0.134813 0.070844 -0.055443 -0.023111 28O 1dxy 0.058013 -0.063902 -0.150345 0.148977 -0.065924 -0.007926 28O 2dz2 -0.020775 -0.032965 -0.007548 0.062863 -0.068727 -0.037937 28O 2dxz 0.071043 0.049357 -0.062967 -0.188203 0.142165 0.104353 28O 2dyz -0.031650 -0.004394 0.016270 0.005758 0.009489 -0.041268 28O 2dx2y2 -0.033771 -0.026958 0.005556 0.037924 -0.041472 -0.042835 28O 2dxy 0.022593 0.016492 -0.044439 -0.089173 0.074938 0.034644 28O 1f0 -0.036571 -0.028117 -0.008369 0.058618 -0.001946 -0.113632 28O 1f+1 -0.008288 -0.111636 -0.157474 0.248729 -0.133307 -0.043146 28O 1f-1 0.027359 0.002841 -0.012185 0.052444 -0.033650 -0.039717 28O 1f+2 0.084832 0.047291 -0.060250 -0.142561 0.149272 0.123687 28O 1f-2 -0.069065 0.043322 0.222116 0.041440 -0.074790 0.017289 28O 1f+3 0.059141 -0.017644 -0.073185 -0.001428 0.010337 0.056294 28O 1f-3 -0.074500 0.065483 0.250494 -0.009211 -0.064189 -0.003247 29O 1s 0.000683 -0.000293 0.000667 -0.000257 0.000107 0.003621 29O 2s 0.001825 -0.000832 0.002016 -0.000832 0.000268 0.010807 29O 3s -0.016855 0.007998 -0.021617 0.011085 -0.001160 -0.119150 29O 4s 0.063689 -0.022939 0.056459 -0.030016 0.006393 0.394455 29O 5s -0.178651 0.056156 -0.102449 0.034715 -0.052246 -0.858179 29O 1pz -0.003191 -0.001253 0.000198 0.003624 -0.012142 -0.007731 29O 1px 0.000152 -0.002355 0.001520 0.001746 -0.004539 -0.008840 29O 1py -0.003225 0.000740 0.002439 0.002708 0.001297 -0.009748 29O 2pz 0.019283 0.001501 -0.000203 -0.015784 0.047075 0.043012 29O 2px 0.001450 0.007651 -0.005817 -0.011481 0.013959 0.023904 29O 2py 0.012275 -0.002114 -0.008671 0.001886 -0.000739 0.023346 29O 3pz -0.025136 -0.025093 -0.016865 -0.009487 0.019088 -0.121653 29O 3px 0.073247 -0.016421 0.006404 0.019745 0.016302 0.282113 29O 3py 0.014559 -0.023768 0.040997 -0.034588 0.009871 0.064394 29O 1dz2 -0.017528 -0.010896 0.007686 -0.003582 -0.004216 -0.020440 29O 1dxz -0.006380 0.025912 0.003766 0.000935 -0.014234 0.001461 29O 1dyz -0.010669 0.008842 0.016270 -0.008946 -0.029286 -0.006426 29O 1dx2y2 0.000927 0.003526 0.019298 -0.025925 0.001062 -0.038911 29O 1dxy 0.006973 0.015771 -0.030415 0.040219 -0.008910 -0.010532 29O 2dz2 0.004694 0.006198 0.000509 -0.000160 -0.008320 0.010816 29O 2dxz 0.008417 -0.015755 -0.000260 -0.006540 0.014220 0.019539 29O 2dyz -0.002075 -0.004051 -0.007375 0.009899 -0.002695 -0.011786 29O 2dx2y2 -0.004176 -0.003107 -0.009962 0.012398 0.001798 0.008021 29O 2dxy -0.005272 -0.007422 0.015336 -0.010813 -0.000320 -0.003766 29O 1f0 -0.001294 -0.003628 -0.006211 0.001763 0.001243 -0.018176 29O 1f+1 0.006489 0.006721 0.005454 -0.000110 -0.012801 0.019671 29O 1f-1 0.011920 0.003602 -0.010140 0.008175 0.019371 0.023948 29O 1f+2 0.002048 -0.011809 -0.004394 0.005662 0.006674 0.015767 29O 1f-2 0.005083 0.004472 -0.003870 0.016907 -0.027919 0.003979 29O 1f+3 0.005012 0.008779 0.003576 -0.004385 -0.000933 0.012281 29O 1f-3 0.005321 0.000675 -0.008748 0.004369 0.015193 0.014988 30O 1s 0.001320 -0.003057 -0.000856 -0.006265 -0.007169 -0.004879 30O 2s 0.005956 -0.010879 -0.004109 -0.022674 -0.026360 -0.019910 30O 3s -0.095270 0.142613 0.069879 0.302262 0.357295 0.297385 30O 4s 0.229991 -0.407983 -0.198910 -0.807749 -0.954985 -0.790442 30O 5s 0.184931 -0.236059 -0.107250 -0.417367 -0.500395 -0.213216 30O 1pz -0.014830 -0.048867 0.003497 -0.018171 -0.038825 -0.061003 30O 1px -0.034331 0.028392 0.019950 0.069353 0.079943 0.036527 30O 1py -0.061068 -0.011617 0.037329 0.035099 0.039685 0.039407 30O 2pz 0.010642 0.259684 0.032419 0.231465 0.306378 0.328650 30O 2px 0.164793 -0.173864 -0.119909 -0.378181 -0.450568 -0.279170 30O 2py 0.281587 -0.051881 -0.180093 -0.301392 -0.370191 -0.259902 30O 3pz -0.055774 0.002185 -0.014158 0.171353 0.054556 0.105005 30O 3px 0.027652 -0.128723 -0.026293 -0.182919 -0.235731 -0.220425 30O 3py -0.032963 -0.040940 0.099740 -0.051728 -0.103230 -0.188848 30O 1dz2 -0.153666 -0.059883 0.045982 0.047218 0.156478 -0.059552 30O 1dxz 0.180242 0.179839 -0.060279 0.011405 -0.021671 0.066136 30O 1dyz -0.047010 0.063808 0.028076 0.156042 0.149426 0.039949 30O 1dx2y2 0.040976 -0.004275 -0.015803 -0.052655 -0.023996 0.026302 30O 1dxy 0.153222 0.158156 -0.070536 0.029137 -0.022123 -0.124349 30O 2dz2 -0.032290 -0.037221 0.024963 -0.005828 -0.024693 0.009945 30O 2dxz -0.049603 0.041799 0.030494 0.094879 0.106217 0.102568 30O 2dyz -0.025619 0.033509 0.022816 0.054722 0.082223 0.136716 30O 2dx2y2 -0.030161 0.002435 0.015397 0.042460 0.032837 -0.006676 30O 2dxy 0.077698 -0.056947 -0.044872 -0.132832 -0.163542 -0.070487 30O 1f0 0.047062 -0.016476 -0.040713 -0.024345 -0.031194 -0.107958 30O 1f+1 -0.291815 -0.286552 0.108759 -0.034569 0.058981 -0.044616 30O 1f-1 -0.072791 -0.055107 0.052179 0.012509 -0.020069 -0.133181 30O 1f+2 0.131994 0.145081 -0.047940 0.017438 -0.010506 -0.033952 30O 1f-2 -0.052797 0.105703 0.039394 0.168754 0.174669 0.181938 30O 1f+3 0.148292 0.034523 -0.066970 -0.114417 -0.174441 -0.032254 30O 1f-3 -0.196212 -0.126629 0.079135 0.071335 0.156410 0.136586 31O 1s -0.001401 -0.003107 -0.000931 -0.006225 -0.007109 0.004953 31O 2s -0.006208 -0.011097 -0.004428 -0.022503 -0.026114 0.020176 31O 3s 0.097986 0.146049 0.074809 0.299554 0.353526 -0.300964 31O 4s -0.237713 -0.417406 -0.211613 -0.800016 -0.944726 0.799830 31O 5s -0.189067 -0.238284 -0.114201 -0.413518 -0.494838 0.221490 31O 1pz -0.013309 0.050514 -0.003756 0.017537 0.038649 -0.061292 31O 1px -0.034786 -0.028707 -0.021247 -0.069001 -0.079229 0.037305 31O 1py -0.059516 0.011428 -0.039347 -0.034623 -0.038585 0.039550 31O 2pz 0.003792 -0.267222 -0.033825 -0.227967 -0.304050 0.331751 31O 2px 0.167279 0.176883 0.126975 0.375257 0.445924 -0.283848 31O 2py 0.277736 0.054321 0.190268 0.298212 0.364275 -0.262654 31O 3pz -0.056681 -0.001374 0.010611 -0.170600 -0.052082 0.108241 31O 3px 0.031117 0.131374 0.028834 0.180537 0.233220 -0.223480 31O 3py -0.027962 0.042248 -0.099680 0.050145 0.101969 -0.191335 31O 1dz2 0.151089 -0.062670 0.050333 0.047588 0.155526 0.058798 31O 1dxz -0.174179 0.184820 -0.064785 0.011357 -0.021346 -0.066949 31O 1dyz 0.048745 0.064132 0.029830 0.155589 0.148851 -0.041797 31O 1dx2y2 -0.041191 -0.003382 -0.016944 -0.052712 -0.024147 -0.025820 31O 1dxy -0.146894 0.159824 -0.075374 0.030605 -0.020159 0.123671 31O 2dz2 0.030190 -0.037632 0.025991 -0.005945 -0.025441 -0.009596 31O 2dxz 0.050219 0.043089 0.032532 0.093745 0.105061 -0.103733 31O 2dyz 0.025884 0.035486 0.024446 0.053438 0.080834 -0.137398 31O 2dx2y2 0.029834 0.002158 0.016312 0.042449 0.032567 0.006404 31O 2dxy -0.078132 -0.058003 -0.047857 -0.132082 -0.161780 0.072096 31O 1f0 0.045528 0.018761 0.042898 0.023590 0.029140 -0.108192 31O 1f+1 -0.281165 0.293299 -0.116867 0.034744 -0.057215 -0.045748 31O 1f-1 -0.068694 0.057315 -0.054023 -0.013755 0.021130 -0.133582 31O 1f+2 0.126893 -0.148169 0.051439 -0.018083 0.009463 -0.033446 31O 1f-2 -0.054866 -0.109109 -0.042189 -0.167271 -0.172733 0.183891 31O 1f+3 0.145752 -0.036097 0.071393 0.113965 0.172660 -0.033228 31O 1f-3 -0.191658 0.128484 -0.085773 -0.069707 -0.154839 0.137000 32O 1s -0.000720 -0.000262 0.000667 -0.000288 0.000111 -0.003609 32O 2s -0.001933 -0.000751 0.002021 -0.000927 0.000278 -0.010764 32O 3s 0.017993 0.007261 -0.021753 0.012187 -0.001053 0.118572 32O 4s -0.066721 -0.020286 0.056958 -0.033350 0.005156 -0.393166 32O 5s 0.184500 0.048468 -0.102901 0.040346 -0.050806 0.857884 32O 1pz -0.002994 0.001340 -0.000359 -0.003863 0.012227 -0.007928 32O 1px 0.000325 0.002312 -0.001613 -0.001857 0.004606 -0.008762 32O 1py -0.003203 -0.000642 -0.002483 -0.002794 -0.001219 -0.009928 32O 2pz 0.018531 -0.001900 0.001183 0.016676 -0.047573 0.044535 32O 2px 0.000751 -0.007441 0.006223 0.011867 -0.013831 0.023865 32O 2py 0.012400 0.001682 0.008925 -0.001611 -0.000245 0.024502 32O 3pz -0.025333 0.026171 0.016825 0.007967 -0.019371 -0.121901 32O 3px 0.073878 0.014039 -0.006386 -0.018088 -0.014455 0.282600 32O 3py 0.016900 0.022989 -0.041164 0.034920 -0.011130 0.063734 32O 1dz2 0.016497 -0.011748 0.007809 -0.003478 -0.003281 0.020199 32O 1dxz 0.006889 0.025355 0.003762 0.000013 -0.014055 -0.000839 32O 1dyz 0.010749 0.008956 0.017084 -0.009490 -0.029879 0.009452 32O 1dx2y2 -0.001828 0.003147 0.019171 -0.026101 0.001809 0.038861 32O 1dxy -0.005664 0.016248 -0.030520 0.040280 -0.008545 0.010399 32O 2dz2 -0.004733 0.006576 0.000703 -0.000493 -0.008309 -0.010882 32O 2dxz -0.008798 -0.015388 -0.000431 -0.006552 0.014410 -0.020367 32O 2dyz 0.002030 -0.004235 -0.007157 0.010221 -0.002884 0.011079 32O 2dx2y2 0.004465 -0.003045 -0.009969 0.012349 0.002039 -0.008460 32O 2dxy 0.004480 -0.007637 0.015555 -0.010861 -0.000103 0.003611 32O 1f0 -0.001974 0.003904 0.005352 -0.001410 0.000362 -0.018587 32O 1f+1 0.006409 -0.006684 -0.005292 0.000579 0.011686 0.019700 32O 1f-1 0.011384 -0.003422 0.010908 -0.008235 -0.019035 0.024116 32O 1f+2 0.001749 0.012150 0.003860 -0.004932 -0.007065 0.015128 32O 1f-2 0.005129 -0.004409 0.003603 -0.017460 0.028645 0.004407 32O 1f+3 0.004979 -0.008882 -0.003335 0.004152 0.002245 0.012163 32O 1f-3 0.004989 -0.001186 0.008840 -0.003939 -0.015206 0.015021 33O 1s 0.001582 -0.000926 0.002472 0.007364 -0.006399 0.003743 33O 2s 0.007014 -0.004333 0.008954 0.027026 -0.022964 0.014525 33O 3s -0.114685 0.073147 -0.121087 -0.365690 0.302926 -0.218637 33O 4s 0.330206 -0.217668 0.349016 0.979632 -0.797122 0.625707 33O 5s 0.144692 -0.146795 0.166332 0.482508 -0.393211 0.526562 33O 1pz -0.020918 0.034240 0.005534 -0.051613 0.042591 0.003329 33O 1px 0.025350 -0.013427 0.043037 0.083857 -0.065657 0.023944 33O 1py -0.020331 -0.007434 -0.037840 0.002946 -0.016389 0.006662 33O 2pz 0.163547 -0.183315 0.068428 0.448065 -0.348278 0.216610 33O 2px -0.177972 0.111114 -0.232902 -0.493712 0.393055 -0.270600 33O 2py 0.093563 0.004361 0.168061 0.055533 -0.022109 0.045905 33O 3pz 0.057055 0.069048 0.056604 0.146143 -0.091199 0.213420 33O 3px -0.092956 0.070225 -0.085057 -0.225896 0.214491 -0.380585 33O 3py -0.035058 0.001017 -0.051457 -0.060090 -0.065456 -0.019292 33O 1dz2 -0.004099 -0.005894 -0.057476 0.085044 0.005865 0.027438 33O 1dxz -0.033204 0.058224 0.083643 -0.070660 0.044466 -0.074300 33O 1dyz 0.021805 -0.000419 0.136516 0.103177 -0.149894 0.042818 33O 1dx2y2 0.029799 0.027421 0.139120 0.071837 -0.056416 0.023780 33O 1dxy -0.054786 -0.056159 -0.156070 0.147934 -0.065261 0.005531 33O 2dz2 0.019766 -0.030793 -0.007928 0.062146 -0.067776 0.037129 33O 2dxz -0.067664 0.047173 -0.065068 -0.188186 0.141137 -0.103830 33O 2dyz 0.031422 -0.004935 0.017443 0.006068 0.009790 0.041723 33O 2dx2y2 0.032936 -0.025931 0.005896 0.037697 -0.040733 0.042859 33O 2dxy -0.020858 0.016140 -0.045734 -0.089580 0.075066 -0.034813 33O 1f0 -0.037490 0.027646 0.007562 -0.060067 0.002136 -0.114274 33O 1f+1 -0.010582 0.101328 0.163508 -0.246783 0.130254 -0.040409 33O 1f-1 0.027547 -0.003088 0.013486 -0.053028 0.034491 -0.038753 33O 1f+2 0.081217 -0.045490 0.062210 0.143122 -0.148627 0.123658 33O 1f-2 -0.063105 -0.037210 -0.228619 -0.042528 0.075413 0.015058 33O 1f+3 0.057104 0.016075 0.076545 0.001875 -0.010470 0.056938 33O 1f-3 -0.067482 -0.057278 -0.258215 0.007904 0.065588 -0.005382 34O 1s 0.001490 0.003616 0.000944 0.006747 0.007629 -0.004759 34O 2s 0.006381 0.013158 0.004527 0.024432 0.028049 -0.018987 34O 3s -0.097608 -0.180697 -0.078330 -0.329388 -0.385086 0.287441 34O 4s 0.245989 0.527102 0.240028 0.904047 1.071096 -0.812831 34O 5s 0.150833 0.309007 0.169092 0.499233 0.569181 -0.499495 34O 1pz 0.036659 -0.039530 0.013392 0.029348 0.020374 -0.027144 34O 1px -0.037317 -0.059194 -0.027463 -0.082935 -0.099645 0.049456 34O 1py 0.047760 -0.032255 0.028944 0.013567 0.013901 -0.033121 34O 2pz -0.127331 0.165408 -0.041818 -0.059057 -0.052696 0.087240 34O 2px 0.203408 0.394273 0.191236 0.579597 0.690530 -0.464292 34O 2py -0.213593 0.048959 -0.134842 -0.167024 -0.209334 0.225095 34O 3pz 0.026159 -0.079106 -0.017210 0.030105 -0.087785 0.007567 34O 3px 0.032568 0.127070 0.038000 0.276444 0.308885 -0.394735 34O 3py 0.025392 0.009387 0.088150 0.020948 -0.050048 -0.019733 34O 1dz2 0.068901 -0.124639 0.026678 -0.042421 -0.080653 0.038918 34O 1dxz -0.230280 0.205334 -0.073408 -0.018879 -0.129394 0.043774 34O 1dyz -0.017922 -0.108367 -0.006836 -0.157519 -0.129239 -0.036342 34O 1dx2y2 -0.011080 0.059918 0.015566 0.050366 0.004977 -0.046627 34O 1dxy -0.155952 0.140852 -0.066660 -0.038357 -0.105912 0.114552 34O 2dz2 -0.049983 -0.034756 -0.038921 -0.090326 -0.083595 0.095941 34O 2dxz -0.011829 0.054536 -0.001943 0.023203 0.034708 0.021685 34O 2dyz 0.028122 0.015221 0.007182 0.060212 0.052922 0.016357 34O 2dx2y2 0.039083 0.095251 0.034818 0.113650 0.151311 -0.095327 34O 2dxy -0.068702 -0.033805 -0.045001 -0.115050 -0.141010 0.120218 34O 1f0 0.193951 -0.201231 0.068059 0.026364 0.093544 -0.086538 34O 1f+1 0.065375 -0.161628 0.013057 -0.098857 -0.064608 0.143421 34O 1f-1 0.012392 0.017178 0.011768 0.071636 0.027602 -0.063291 34O 1f+2 -0.221947 0.289156 -0.086506 0.046578 -0.013436 0.119416 34O 1f-2 0.051646 -0.058703 0.022451 0.061062 0.070245 -0.078783 34O 1f+3 0.036129 -0.171483 -0.009781 -0.086728 -0.085462 0.053214 34O 1f-3 0.285642 -0.146011 0.124506 0.151168 0.260315 -0.138097 35O 1s -0.001902 0.001206 -0.002284 -0.008012 0.006854 -0.005635 35O 2s -0.008371 0.005317 -0.008514 -0.029627 0.024914 -0.023338 35O 3s 0.134577 -0.086076 0.118621 0.409324 -0.337251 0.353311 35O 4s -0.390157 0.253465 -0.347327 -1.142437 0.929740 -0.961891 35O 5s -0.121642 0.142688 -0.241906 -0.644111 0.516261 -0.232961 35O 1pz 0.013089 -0.025932 -0.031103 -0.000480 0.001691 0.052106 35O 1px 0.033426 -0.038525 0.016395 0.106443 -0.085982 0.091269 35O 1py 0.036624 0.006835 0.059227 0.036706 -0.017870 0.050336 35O 2pz -0.067830 0.112665 0.078026 -0.128585 0.086101 -0.193348 35O 2px -0.232535 0.221359 -0.164545 -0.711655 0.558499 -0.550681 35O 2py -0.186665 0.024218 -0.286480 -0.314310 0.235846 -0.266813 35O 3pz 0.013377 -0.103454 0.045151 0.010015 -0.027584 -0.010828 35O 3px -0.093723 -0.003711 -0.087030 -0.328864 0.260709 -0.249299 35O 3py 0.004096 -0.007232 0.041351 -0.053529 0.171993 -0.122308 35O 1dz2 0.034878 -0.034311 -0.045204 -0.041749 0.001827 0.117772 35O 1dxz -0.015098 0.039664 0.144733 -0.009636 -0.057983 -0.148712 35O 1dyz 0.020440 0.049181 0.023447 -0.155865 0.139851 0.058147 35O 1dx2y2 0.013356 0.063001 0.127152 -0.147645 0.037741 -0.039794 35O 1dxy -0.070530 -0.050815 -0.228499 -0.028363 0.083240 -0.059942 35O 2dz2 0.033712 -0.015969 0.050684 0.133605 -0.087088 0.057029 35O 2dxz -0.025417 0.041975 -0.014486 -0.122814 0.107040 -0.053058 35O 2dyz -0.027870 0.004894 0.001804 -0.005541 -0.010581 -0.088502 35O 2dx2y2 -0.040530 0.047354 0.007411 -0.078357 0.068865 -0.122025 35O 2dxy -0.074388 0.034214 -0.071328 -0.154264 0.125670 -0.146222 35O 1f0 -0.002224 -0.063209 -0.142437 0.154900 -0.048847 0.119486 35O 1f+1 0.046728 -0.033927 -0.014903 0.134362 -0.076214 0.091963 35O 1f-1 0.024602 0.020435 0.128074 0.103432 -0.103493 -0.028629 35O 1f+2 -0.002146 0.072660 0.054184 -0.119053 0.109790 -0.069826 35O 1f-2 -0.021346 0.057393 0.095197 -0.074093 0.042597 -0.173012 35O 1f+3 -0.039935 -0.140988 -0.319739 0.090619 0.003956 0.065060 35O 1f-3 0.140409 -0.002015 0.222033 0.109150 -0.140022 0.226507 678 679 680 681 682 683 6.10503 6.10888 6.23558 6.23754 6.29051 6.30686 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s -0.000112 -0.000188 -0.000774 -0.000180 0.000966 -0.000034 0Rh 2s 0.000849 0.001492 0.004826 0.000898 -0.003875 0.000294 0Rh 3s -0.000181 -0.000263 -0.001855 -0.000558 0.003597 -0.000035 0Rh 4s -0.005422 -0.009567 -0.031353 -0.005585 0.027519 -0.001862 0Rh 5s 0.015249 0.027633 0.085633 0.010381 -0.076755 0.005301 0Rh 6s -0.018783 -0.035789 -0.098245 0.010300 0.073967 -0.007098 0Rh 7s -0.057822 -0.155389 0.142895 -0.322949 0.008081 0.023965 0Rh 8s -0.064803 -0.287784 0.310286 0.159433 0.095747 -0.034377 0Rh 1pz -0.063668 0.103117 -0.007755 -0.009625 0.001283 0.030922 0Rh 1px -0.057426 -0.028338 0.021450 0.028731 -0.002802 0.012516 0Rh 1py 0.091864 0.052641 0.000837 0.004409 -0.000649 -0.023694 0Rh 2pz 0.266085 -0.431130 0.032405 0.040362 -0.005417 -0.129451 0Rh 2px 0.240105 0.118679 -0.089623 -0.120488 0.011839 -0.052407 0Rh 2py -0.383965 -0.220031 -0.003605 -0.018471 0.002737 0.099185 0Rh 3pz -0.876380 1.423536 -0.106279 -0.135594 0.019066 0.427782 0Rh 3px -0.793058 -0.396063 0.293714 0.404877 -0.041592 0.173374 0Rh 3py 1.265524 0.725213 0.014006 0.061543 -0.009408 -0.327635 0Rh 4pz 1.163504 -1.901472 0.139224 0.188991 -0.029789 -0.567019 0Rh 4px 1.060263 0.542726 -0.383927 -0.564583 0.064268 -0.230483 0Rh 4py -1.683438 -0.964466 -0.024514 -0.083638 0.013272 0.434186 0Rh 5pz -0.669917 1.124880 -0.077775 -0.130188 0.026998 0.332807 0Rh 5px -0.629324 -0.355828 0.214808 0.389815 -0.055618 0.137084 0Rh 5py 0.979583 0.560863 0.029024 0.056305 -0.010130 -0.257112 0Rh 6pz 0.320287 -1.010667 0.031254 0.048841 0.063594 -0.180162 0Rh 6px 0.626051 0.923728 -0.254147 -0.214961 -0.081454 -0.062623 0Rh 6py -0.633793 -0.337490 -0.475559 -0.348137 0.154396 0.190209 0Rh 1dz2 -0.002546 0.004258 0.005093 0.003348 -0.002785 0.001033 0Rh 1dxz 0.004850 -0.004543 0.006484 0.004208 -0.004474 -0.002590 0Rh 1dyz 0.002843 -0.000882 -0.001754 -0.001800 0.000442 -0.000957 0Rh 1dx2y2 0.003497 -0.002509 -0.007388 -0.004758 0.005258 -0.000943 0Rh 1dxy -0.006713 -0.004411 0.005696 0.003528 -0.002101 0.001860 0Rh 2dz2 0.001021 -0.000203 -0.001864 -0.000940 0.000579 -0.000589 0Rh 2dxz -0.000854 0.002365 -0.001981 -0.000997 0.001061 0.001440 0Rh 2dyz -0.000672 0.000600 0.000888 0.000803 -0.000335 0.000675 0Rh 2dx2y2 -0.001647 -0.001175 0.001719 0.000825 -0.000913 0.000847 0Rh 2dxy 0.001560 0.000506 -0.002213 -0.001509 0.001256 -0.001051 0Rh 3dz2 0.008239 -0.021655 -0.018391 -0.013518 0.011963 -0.002735 0Rh 3dxz -0.021503 0.011828 -0.025362 -0.017945 0.018693 0.007052 0Rh 3dyz -0.011633 0.001744 0.005082 0.005806 -0.000822 0.001893 0Rh 3dx2y2 -0.010017 0.019600 0.031534 0.021788 -0.023412 0.000957 0Rh 3dxy 0.027736 0.020901 -0.019953 -0.011632 0.005591 -0.004984 0Rh 4dz2 -0.012929 0.051531 0.039354 0.030027 -0.023283 0.004376 0Rh 4dxz 0.047539 -0.011510 0.056398 0.041158 -0.036887 -0.012174 0Rh 4dyz 0.023417 -0.001823 -0.008262 -0.011331 0.001453 -0.002061 0Rh 4dx2y2 0.012397 -0.057199 -0.073415 -0.051840 0.046139 0.001302 0Rh 4dxy -0.057471 -0.047670 0.039867 0.022376 -0.013057 0.008379 0Rh 5dz2 -0.007641 -0.081392 -0.071616 -0.038778 0.014492 0.011350 0Rh 5dxz -0.065496 -0.052459 -0.107383 -0.056866 0.026877 -0.005698 0Rh 5dyz -0.019946 -0.000084 -0.005281 0.010819 -0.002147 -0.013636 0Rh 5dx2y2 0.030037 0.137789 0.153706 0.075771 -0.030746 -0.030472 0Rh 5dxy 0.057215 0.067388 -0.028752 -0.021742 0.027091 0.008733 0Rh 1f0 0.007813 -0.005351 -0.002199 -0.000599 0.005839 0.009599 0Rh 1f+1 0.001311 0.008967 0.000044 -0.001788 -0.003733 0.002206 0Rh 1f-1 0.001613 0.017088 -0.003914 -0.003786 0.001628 -0.001616 0Rh 1f+2 0.017478 -0.000407 -0.001144 -0.003028 -0.006180 0.010361 0Rh 1f-2 0.012282 0.008549 0.000024 -0.002915 -0.001217 0.004553 0Rh 1f+3 -0.006297 0.013171 0.001360 -0.000412 -0.008220 -0.006530 0Rh 1f-3 0.006839 0.008792 0.002461 -0.002589 -0.004716 0.000934 1Rh 1s 0.000106 0.000188 0.000655 -0.000439 0.000967 0.000035 1Rh 2s -0.000797 -0.001487 -0.004171 0.002531 -0.003884 -0.000310 1Rh 3s 0.000172 0.000264 0.001521 -0.001170 0.003601 0.000033 1Rh 4s 0.005097 0.009539 0.027177 -0.016205 0.027582 0.001962 1Rh 5s -0.014350 -0.027542 -0.075957 0.039705 -0.076930 -0.005596 1Rh 6s 0.017639 0.035599 0.095085 -0.024802 0.074177 0.007581 1Rh 7s 0.061427 0.155544 -0.248165 -0.251409 0.007334 -0.026683 1Rh 8s 0.062863 0.289618 -0.233367 0.258675 0.095893 0.035497 1Rh 1pz -0.063765 0.103827 -0.003771 0.011650 -0.001396 0.031012 1Rh 1px -0.057482 -0.028103 0.009820 -0.034469 0.002835 0.012428 1Rh 1py 0.091906 0.052787 -0.000741 -0.004419 0.000408 -0.023647 1Rh 2pz 0.266492 -0.434095 0.015707 -0.048817 0.005894 -0.129828 1Rh 2px 0.240340 0.117700 -0.040876 0.144437 -0.011975 -0.052039 1Rh 2py -0.384142 -0.220640 0.003014 0.018549 -0.001730 0.098990 1Rh 3pz -0.877708 1.433254 -0.050362 0.163156 -0.020652 0.429042 1Rh 3px -0.793803 -0.392820 0.130419 -0.482724 0.042038 0.172131 1Rh 3py 1.266091 0.727213 -0.008180 -0.062532 0.006080 -0.326974 1Rh 4pz 1.165246 -1.914234 0.061895 -0.224485 0.031928 -0.568728 1Rh 4px 1.061159 0.538362 -0.157953 0.664077 -0.064847 -0.228726 1Rh 4py -1.684172 -0.967112 0.006005 0.086993 -0.008849 0.433284 1Rh 5pz -0.670945 1.132016 -0.025807 0.148753 -0.028364 0.333875 1Rh 5px -0.629581 -0.353185 0.062139 -0.440743 0.055937 0.135777 1Rh 5py 0.980001 0.562378 0.007612 -0.063112 0.007522 -0.256607 1Rh 6pz 0.321325 -1.014231 0.016597 -0.062976 -0.061514 -0.181534 1Rh 6px 0.624160 0.921878 -0.159760 0.290323 0.080768 -0.061637 1Rh 6py -0.631582 -0.337326 -0.322031 0.495407 -0.153160 0.191322 1Rh 1dz2 0.002564 -0.004253 -0.003636 0.005067 -0.002835 -0.001019 1Rh 1dxz -0.004814 0.004467 -0.004454 0.006078 -0.004437 0.002571 1Rh 1dyz -0.002855 0.000886 0.000940 -0.002097 0.000397 0.000961 1Rh 1dx2y2 -0.003506 0.002484 0.005255 -0.007098 0.005292 0.000916 1Rh 1dxy 0.006728 0.004408 -0.004117 0.005422 -0.002156 -0.001855 1Rh 2dz2 -0.001036 0.000204 0.001429 -0.001580 0.000593 0.000591 1Rh 2dxz 0.000839 -0.002337 0.001462 -0.001583 0.001049 -0.001428 1Rh 2dyz 0.000668 -0.000610 -0.000531 0.001000 -0.000323 -0.000668 1Rh 2dx2y2 0.001649 0.001187 -0.001333 0.001400 -0.000926 -0.000840 1Rh 2dxy -0.001568 -0.000505 0.001544 -0.002229 0.001277 0.001051 1Rh 3dz2 -0.008266 0.021628 0.012642 -0.019672 0.012167 0.002654 1Rh 3dxz 0.021382 -0.011563 0.016911 -0.025181 0.018550 -0.007005 1Rh 3dyz 0.011716 -0.001716 -0.002437 0.006420 -0.000633 -0.001946 1Rh 3dx2y2 0.010057 -0.019533 -0.021857 0.031619 -0.023531 -0.000847 1Rh 3dxy -0.027772 -0.020890 0.014705 -0.018353 0.005787 0.004953 1Rh 4dz2 0.012931 -0.051483 -0.026667 0.043178 -0.023754 -0.004186 1Rh 4dxz -0.047295 0.010983 -0.037227 0.057236 -0.036575 0.012084 1Rh 4dyz -0.023649 0.001714 0.003160 -0.011665 0.000982 0.002207 1Rh 4dx2y2 -0.012492 0.057092 0.050461 -0.074573 0.046373 -0.001536 1Rh 4dxy 0.057517 0.047650 -0.029713 0.035976 -0.013483 -0.008301 1Rh 5dz2 0.007929 0.081382 0.054030 -0.063468 0.015393 -0.011705 1Rh 5dxz 0.065204 0.053274 0.079271 -0.089717 0.026412 0.005836 1Rh 5dyz 0.020583 0.000536 0.009860 0.004858 -0.001089 0.013134 1Rh 5dx2y2 -0.029911 -0.137752 -0.117063 0.125057 -0.031016 0.030690 1Rh 5dxy -0.057082 -0.067305 0.019774 -0.032069 0.027632 -0.008947 1Rh 1f0 0.007806 -0.005384 -0.001899 0.001439 -0.005875 0.009658 1Rh 1f+1 0.001318 0.008985 0.000739 0.001612 0.003765 0.002181 1Rh 1f-1 0.001657 0.017219 -0.002313 0.004950 -0.001589 -0.001585 1Rh 1f+2 0.017550 -0.000527 -0.000122 0.003319 0.006141 0.010336 1Rh 1f-2 0.012307 0.008584 0.001141 0.002517 0.001328 0.004516 1Rh 1f+3 -0.006268 0.013195 0.001420 -0.000070 0.008225 -0.006585 1Rh 1f-3 0.006857 0.008779 0.003146 0.001645 0.004677 0.000953 2C 1s -0.000176 -0.000994 0.000493 0.000339 0.001619 -0.000781 2C 2s 0.000409 -0.002513 0.001072 0.001106 0.005956 -0.003311 2C 3s -0.040007 0.187438 -0.004131 -0.026958 -0.105883 0.110007 2C 4s 0.174720 -1.021651 0.017062 0.163978 0.472424 -0.543121 2C 5s -0.170092 0.024127 -0.122420 -0.130138 -0.700041 0.290585 2C 1pz -0.000016 0.026557 -0.001363 -0.006251 -0.031382 0.014881 2C 1px -0.002679 -0.009100 0.000479 -0.002579 -0.003202 -0.001874 2C 1py -0.002709 0.013491 -0.005871 -0.007340 -0.019544 0.024731 2C 2pz 0.035724 -0.619759 -0.012804 0.081154 0.237713 -0.250836 2C 2px 0.049267 0.090082 -0.036529 0.047560 -0.010112 0.011111 2C 2py 0.036624 -0.381193 0.035008 0.091430 0.143696 -0.273763 2C 3pz -0.044330 -0.032313 -0.031376 -0.033859 -0.122796 0.015214 2C 3px -0.013909 -0.034887 0.039036 -0.010321 -0.016951 -0.028933 2C 3py 0.031760 -0.014223 -0.020857 -0.037682 -0.081277 0.033392 2C 1dz2 0.000266 -0.005337 0.000893 -0.001092 -0.008527 -0.007248 2C 1dxz -0.009520 -0.024101 -0.000800 0.002602 -0.007633 -0.005212 2C 1dyz 0.006653 -0.019762 -0.006075 -0.001145 -0.009142 -0.001929 2C 1dx2y2 -0.003127 0.009307 0.005716 0.001825 0.006280 -0.005398 2C 1dxy -0.000213 -0.017976 -0.002459 0.000151 0.000093 0.001191 2C 2dz2 -0.026768 -0.138546 -0.008366 0.008065 0.060246 -0.028756 2C 2dxz -0.028946 -0.116585 0.033616 0.026567 0.062471 -0.056010 2C 2dyz 0.038977 -0.116716 -0.011340 0.032434 0.055530 -0.105713 2C 2dx2y2 -0.011118 0.128729 -0.015442 -0.004810 -0.046168 0.068060 2C 2dxy 0.016420 -0.023942 -0.005573 0.011734 0.014532 -0.003266 2C 1f0 -0.012943 0.022233 -0.001763 -0.003830 -0.003085 0.011863 2C 1f+1 -0.014630 0.003475 -0.007803 0.000224 -0.016772 0.004167 2C 1f-1 0.009305 -0.025999 -0.001415 0.000970 0.024455 -0.025736 2C 1f+2 -0.022282 -0.017425 0.008778 0.001792 0.002204 0.003411 2C 1f-2 0.005674 -0.035006 0.002821 0.005505 0.008922 -0.005558 2C 1f+3 -0.020337 -0.018036 0.006856 0.003149 0.000625 0.001224 2C 1f-3 0.021546 0.023500 -0.011037 -0.003745 -0.016830 0.010700 3C 1s 0.000739 -0.000349 -0.000254 0.000611 0.001565 -0.001305 3C 2s 0.002613 0.000341 -0.000720 0.001812 0.005870 -0.008279 3C 3s -0.229464 -0.038848 -0.005078 -0.026669 -0.100272 0.288707 3C 4s 1.216595 0.146117 0.052837 0.164158 0.439638 -1.441793 3C 5s -0.192062 -0.190804 0.082259 -0.251151 -0.665012 0.589006 3C 1pz -0.018906 0.000731 0.000290 -0.004619 -0.020163 0.036636 3C 1px -0.009529 -0.008863 -0.001190 -0.000022 -0.011131 0.019313 3C 1py 0.024200 -0.001743 -0.002123 0.010023 0.029622 -0.060393 3C 2pz 0.446470 -0.032382 0.034393 0.069766 0.151870 -0.499285 3C 2px 0.222379 0.125207 0.014686 -0.009037 0.063123 -0.218803 3C 2py -0.572314 0.004370 -0.055841 -0.115418 -0.194755 0.750206 3C 3pz -0.025221 0.034674 0.017156 -0.031243 -0.089462 0.056993 3C 3px 0.022752 -0.001211 0.014090 -0.041746 -0.024589 -0.021428 3C 3py -0.018623 0.045701 -0.006237 0.058612 0.115728 -0.031786 3C 1dz2 -0.006674 0.005010 -0.000293 0.001536 -0.000520 0.005517 3C 1dxz 0.002916 -0.008492 0.001768 -0.000788 -0.006479 0.000959 3C 1dyz -0.019879 -0.013235 -0.003336 0.000812 0.008258 0.011227 3C 1dx2y2 -0.018045 -0.004829 -0.008498 0.004162 0.010724 -0.003388 3C 1dxy -0.012541 0.011512 -0.001905 0.003816 0.007667 0.001003 3C 2dz2 -0.025455 0.021004 0.001727 -0.008880 -0.018518 0.059265 3C 2dxz 0.059082 -0.034707 0.009652 0.012938 0.047050 -0.115782 3C 2dyz -0.107608 -0.055223 -0.029668 -0.018294 -0.023119 0.144452 3C 2dx2y2 -0.156473 0.050457 -0.001738 -0.043097 -0.064698 0.213079 3C 2dxy -0.137531 -0.008929 -0.006978 -0.004649 -0.070274 0.184297 3C 1f0 -0.028608 0.015405 0.003226 -0.004406 -0.022501 0.043320 3C 1f+1 -0.021246 0.024447 0.001874 -0.002782 -0.015472 0.031206 3C 1f-1 0.010003 -0.017815 -0.002807 -0.000697 0.001464 -0.003000 3C 1f+2 -0.033641 -0.034260 0.000372 -0.006601 -0.016372 0.051705 3C 1f-2 -0.003033 -0.012069 -0.002996 0.004623 -0.000572 0.008663 3C 1f+3 -0.002408 -0.008726 0.008075 -0.007463 -0.002210 -0.014539 3C 1f-3 0.008398 -0.011252 -0.007973 0.001203 0.017676 -0.019894 4C 1s 0.001688 -0.021030 -0.007743 -0.012014 -0.049528 0.018973 4C 2s 0.002493 -0.033082 -0.010975 -0.017476 -0.072669 0.028161 4C 3s 0.018613 0.093921 0.019491 0.053141 0.206791 -0.146460 4C 4s -0.166380 0.713200 0.230104 0.337354 1.176995 -0.133504 4C 5s 0.099796 -0.726800 -0.111341 -0.028958 0.252994 -0.105787 4C 1pz -0.001700 0.167263 0.014787 0.029351 0.103231 -0.020509 4C 1px -0.034749 -0.087517 0.003992 -0.012139 0.023138 -0.003984 4C 1py -0.006551 0.066429 0.010376 0.014475 0.070803 -0.022682 4C 2pz 0.089615 -0.374699 0.143955 0.237303 0.776840 -0.544976 4C 2px -0.299131 -0.888297 -0.037289 0.016856 0.168718 -0.101105 4C 2py 0.047740 -0.577449 0.022086 0.133586 0.544243 -0.277757 4C 3pz 0.088430 -0.571189 -0.052268 -0.130870 -0.319103 0.005730 4C 3px 0.049455 -0.117624 -0.127296 -0.096863 0.014935 0.003640 4C 3py -0.145786 -0.391531 -0.083432 -0.100927 -0.188290 0.012407 4C 1dz2 0.005241 -0.007542 -0.002285 -0.009215 -0.128638 0.025407 4C 1dxz -0.045962 -0.264039 -0.022897 -0.059005 -0.205316 0.058952 4C 1dyz 0.015206 -0.014268 0.006741 0.021129 0.038004 -0.008444 4C 1dx2y2 -0.034041 0.188494 0.053159 0.075880 0.325011 -0.136195 4C 1dxy -0.041874 -0.043527 0.025273 0.016414 0.153618 -0.047186 4C 2dz2 -0.026503 0.219537 -0.003809 -0.108998 -0.106869 0.161319 4C 2dxz -0.060966 -0.000953 -0.033227 -0.015554 -0.183891 0.129625 4C 2dyz 0.006617 0.218433 0.015356 -0.048103 -0.025896 0.062781 4C 2dx2y2 -0.050072 -0.124907 0.023482 0.105741 0.253826 -0.064178 4C 2dxy -0.051307 -0.048901 -0.002973 0.040541 0.098155 -0.014896 4C 1f0 0.015831 -0.058199 -0.020751 -0.025966 -0.087674 0.056497 4C 1f+1 0.085040 0.028117 -0.054394 -0.046430 -0.189280 0.076255 4C 1f-1 0.008345 -0.021324 -0.009239 -0.003720 -0.043315 -0.008533 4C 1f+2 0.002686 0.103787 0.040088 0.044460 0.160913 -0.069264 4C 1f-2 -0.074966 -0.011627 0.012066 -0.007980 -0.011861 -0.006415 4C 1f+3 0.115788 0.060321 -0.013633 -0.010667 0.024162 0.030243 4C 1f-3 -0.071949 0.083590 -0.004065 -0.036794 -0.166564 0.043859 5C 1s 0.023060 0.000153 0.005392 -0.015652 -0.050976 0.057974 5C 2s 0.036225 0.000081 0.007509 -0.022113 -0.075093 0.085734 5C 3s -0.085548 0.040077 -0.005299 0.029281 0.218033 -0.402343 5C 4s -0.840373 -0.183466 -0.182288 0.578983 1.202326 -0.648504 5C 5s 0.841646 0.098041 0.085926 0.021115 0.186653 -0.216496 5C 1pz -0.078844 0.034359 -0.007583 0.012240 0.067259 -0.048210 5C 1px -0.075380 -0.086470 -0.005204 0.029756 0.036511 -0.033191 5C 1py 0.141089 -0.015714 0.012463 -0.026625 -0.109684 0.081879 5C 2pz 0.457045 0.278412 -0.043034 0.191614 0.472940 -0.875158 5C 2px 0.097134 -0.740545 -0.022164 0.150257 0.274774 -0.539007 5C 2py -0.731008 -0.096069 0.003578 -0.281243 -0.779706 1.410033 5C 3pz 0.342237 -0.149103 0.038518 -0.152178 -0.172520 0.003157 5C 3px 0.210733 -0.031807 -0.038051 0.053934 -0.166306 0.006133 5C 3py -0.538755 -0.063046 -0.062967 0.200099 0.317537 -0.018303 5C 1dz2 0.114944 0.068516 0.011358 -0.057976 -0.194441 0.199498 5C 1dxz 0.114855 -0.070110 0.017651 -0.048421 -0.214213 0.228830 5C 1dyz 0.015792 -0.058991 0.023431 -0.043412 -0.118264 0.137601 5C 1dx2y2 -0.229904 -0.055846 -0.031564 0.098114 0.307168 -0.333993 5C 1dxy -0.061420 0.117626 -0.017721 0.001221 0.099498 -0.084358 5C 2dz2 0.043506 0.099394 0.024307 -0.036712 -0.140214 0.116356 5C 2dxz -0.106943 -0.019620 -0.021460 -0.136151 -0.145168 0.268086 5C 2dyz 0.190771 -0.056101 0.022401 -0.003608 -0.037892 -0.172252 5C 2dx2y2 0.155726 -0.058815 0.013959 0.106656 0.254163 -0.396853 5C 2dxy 0.170744 0.115114 0.042704 0.099116 0.070178 -0.233153 5C 1f0 -0.042239 -0.084450 0.018530 -0.026329 -0.064382 0.087100 5C 1f+1 0.001680 -0.027013 0.031315 -0.061045 -0.123376 0.179880 5C 1f-1 -0.011527 -0.031951 0.003142 -0.000735 0.013291 0.000497 5C 1f+2 -0.035081 0.112726 -0.025298 0.025250 0.027153 -0.014987 5C 1f-2 -0.004797 0.044370 -0.017747 0.052093 0.143361 -0.166466 5C 1f+3 0.047620 0.100665 0.030155 -0.052647 -0.165054 0.156522 5C 1f-3 0.014194 -0.039211 -0.009230 0.061133 0.187394 -0.212724 6C 1s -0.023064 -0.000146 -0.010304 -0.012582 -0.051177 -0.057989 6C 2s -0.036218 -0.000084 -0.014522 -0.017794 -0.075377 -0.085745 6C 3s 0.084684 -0.040042 0.017850 0.024405 0.218524 0.401900 6C 4s 0.843895 0.182763 0.353696 0.475353 1.208535 0.651267 6C 5s -0.840501 -0.099509 -0.080558 0.053576 0.187236 0.217185 6C 1pz -0.078948 0.034583 -0.011544 -0.008743 -0.067279 -0.048065 6C 1px -0.075118 -0.087192 -0.015020 -0.025130 -0.037190 -0.033385 6C 1py 0.141141 -0.015736 0.021168 0.020222 0.109830 0.081825 6C 2pz 0.456110 0.281447 -0.100944 -0.161009 -0.476672 -0.875255 6C 2px 0.100836 -0.748378 -0.071128 -0.141557 -0.272500 -0.540535 6C 2py -0.730764 -0.098377 0.090942 0.259115 0.786008 1.411225 6C 3pz 0.342790 -0.147632 0.092461 0.127912 0.170251 0.004104 6C 3px 0.210349 -0.032211 -0.051654 -0.040912 0.166239 0.005958 6C 3py -0.539268 -0.064672 -0.134646 -0.162904 -0.313920 -0.019180 6C 1dz2 -0.114703 -0.068710 -0.029788 -0.049670 -0.195130 -0.199547 6C 1dxz -0.115328 0.070527 -0.032649 -0.038144 -0.215373 -0.228993 6C 1dyz -0.015998 0.059443 -0.036487 -0.031800 -0.118656 -0.137555 6C 1dx2y2 0.229635 0.056452 0.062704 0.080075 0.308087 0.334174 6C 1dxy 0.061648 -0.118658 0.016734 -0.005769 0.099621 0.083885 6C 2dz2 -0.043505 -0.100478 -0.033455 -0.026607 -0.140176 -0.116366 6C 2dxz 0.106333 0.020814 -0.024168 -0.134147 -0.146865 -0.268654 6C 2dyz -0.191925 0.056980 -0.021274 0.005894 -0.038634 0.172296 6C 2dx2y2 -0.156410 0.059756 0.019688 0.106543 0.255841 0.397569 6C 2dxy -0.170091 -0.117200 -0.008687 0.105789 0.072042 0.233438 6C 1f0 -0.042118 -0.084910 0.025756 0.017674 0.064665 0.086924 6C 1f+1 0.001668 -0.026759 0.049972 0.046451 0.123808 0.180074 6C 1f-1 -0.011476 -0.031901 0.003383 -0.000567 -0.013187 0.000442 6C 1f+2 -0.035466 0.113213 -0.032448 -0.014663 -0.026984 -0.014828 6C 1f-2 -0.005137 0.044815 -0.033374 -0.041274 -0.144596 -0.166644 6C 1f+3 0.047360 0.101278 0.045146 0.038519 0.165429 0.156498 6C 1f-3 0.013780 -0.038663 -0.028085 -0.053157 -0.188563 -0.212997 7C 1s -0.001693 0.021004 0.002989 -0.013934 -0.049233 -0.018812 7C 2s -0.002513 0.033050 0.004164 -0.020193 -0.072224 -0.027927 7C 3s -0.016914 -0.095199 -0.003270 0.057893 0.204171 0.145178 7C 4s 0.158143 -0.707427 -0.080285 0.390289 1.175937 0.134026 7C 5s -0.095802 0.725570 0.100257 -0.066825 0.251146 0.100141 7C 1pz -0.001582 0.167713 0.004032 -0.032366 -0.102785 -0.020450 7C 1px -0.034776 -0.089332 0.008263 0.008922 -0.022513 -0.003952 7C 1py -0.006534 0.066602 0.005055 -0.017476 -0.070706 -0.022673 7C 2pz 0.087179 -0.372660 0.043133 -0.273321 -0.767347 -0.538148 7C 2px -0.300945 -0.905650 -0.042827 0.005774 -0.170312 -0.100718 7C 2py 0.045676 -0.583277 -0.031946 -0.130059 -0.541714 -0.274956 7C 3pz 0.087596 -0.572281 -0.009952 0.140540 0.318516 0.002654 7C 3px 0.049645 -0.119579 -0.084520 0.137698 -0.016925 0.002897 7C 3py -0.146194 -0.394550 -0.046892 0.125863 0.188764 0.010370 7C 1dz2 -0.005598 0.006786 -0.000745 -0.009414 -0.128487 -0.024982 7C 1dxz 0.046114 0.266300 0.000523 -0.063191 -0.203976 -0.058210 7C 1dyz -0.015132 0.014275 0.001462 0.022028 0.038015 0.008500 7C 1dx2y2 0.034276 -0.187915 -0.022934 0.089610 0.323182 0.135183 7C 1dxy 0.041747 0.044980 -0.017846 0.023964 0.152654 0.046691 7C 2dz2 0.025765 -0.222305 -0.038006 -0.101399 -0.106514 -0.160616 7C 2dxz 0.061105 0.004351 0.023394 -0.028191 -0.181517 -0.127822 7C 2dyz -0.007491 -0.219795 -0.032934 -0.039758 -0.024240 -0.062138 7C 2dx2y2 0.049903 0.127927 0.019920 0.106040 0.252387 0.063127 7C 2dxy 0.051401 0.053439 0.019728 0.034194 0.099038 0.014986 7C 1f0 0.015932 -0.057975 -0.009843 0.031603 0.087284 0.056354 7C 1f+1 0.084665 0.029743 -0.033180 0.062148 0.187594 0.075651 7C 1f-1 0.007948 -0.021407 -0.007129 0.006224 0.043360 -0.008576 7C 1f+2 0.002698 0.104467 0.021094 -0.055829 -0.159889 -0.068734 7C 1f-2 -0.074698 -0.011790 0.014073 0.003383 0.012126 -0.006365 7C 1f+3 0.115905 0.063500 -0.008965 0.014662 -0.024108 0.030500 7C 1f-3 -0.071642 0.083906 0.010090 0.034714 0.166438 0.043336 8C 1s -0.000736 0.000356 0.000448 0.000475 0.001576 0.001310 8C 2s -0.002613 -0.000333 0.001278 0.001421 0.005905 0.008286 8C 3s 0.229889 0.039228 -0.003736 -0.026498 -0.101160 -0.288732 8C 4s -1.218736 -0.148181 0.001859 0.171801 0.444024 1.442188 8C 5s 0.191245 0.189401 -0.166370 -0.202879 -0.663560 -0.590769 8C 1pz -0.018882 0.000672 0.001672 0.004135 0.020352 0.036582 8C 1px -0.009436 -0.008980 -0.001152 0.000386 0.011156 0.019174 8C 1py 0.024313 -0.001724 -0.005337 -0.008588 -0.029802 -0.060474 8C 2pz 0.445903 -0.031899 0.010752 -0.077368 -0.153827 -0.498293 8C 2px 0.221174 0.126309 0.017697 0.003152 -0.062713 -0.216823 8C 2py -0.574821 0.004840 -0.014803 0.128516 0.197050 0.752355 8C 3pz -0.024982 0.034747 0.027437 0.022546 0.089248 0.056705 8C 3px 0.023395 -0.001049 0.027744 0.034715 0.023578 -0.022207 8C 3py -0.018402 0.045131 -0.026989 -0.052088 -0.115221 -0.032867 8C 1dz2 0.006704 -0.005004 0.000861 0.001365 -0.000546 -0.005497 8C 1dxz -0.003056 0.008566 -0.001865 0.000001 -0.006536 -0.000872 8C 1dyz 0.019974 0.013311 0.003343 -0.000481 0.008285 -0.011271 8C 1dx2y2 0.017929 0.004936 0.009369 0.000843 0.010704 0.003427 8C 1dxy 0.012718 -0.011787 0.003101 0.002808 0.007688 -0.000984 8C 2dz2 0.025761 -0.020354 -0.004888 -0.007619 -0.018134 -0.058938 8C 2dxz -0.059584 0.034916 -0.005011 0.015561 0.048095 0.116787 8C 2dyz 0.108371 0.055843 0.021768 -0.027929 -0.023311 -0.144837 8C 2dx2y2 0.155542 -0.050909 -0.012028 -0.041126 -0.064758 -0.212170 8C 2dxy 0.137963 0.008318 0.005528 -0.006829 -0.071369 -0.184817 8C 1f0 -0.028482 0.015667 0.004405 0.002950 0.022567 0.043186 8C 1f+1 -0.021301 0.024301 0.002589 0.001737 0.015718 0.031355 8C 1f-1 0.009898 -0.017947 -0.002343 0.001705 -0.001419 -0.002817 8C 1f+2 -0.033519 -0.034518 0.002544 0.005999 0.016499 0.051629 8C 1f-2 -0.003417 -0.012088 -0.004410 -0.003245 0.000611 0.008771 8C 1f+3 -0.002208 -0.008807 0.010169 0.004080 0.002168 -0.014570 8C 1f-3 0.008449 -0.011558 -0.007819 0.001875 -0.017837 -0.019886 9C 1s 0.000168 0.001019 -0.000333 0.000475 0.001618 0.000756 9C 2s -0.000378 0.002534 -0.000598 0.001393 0.005917 0.003251 9C 3s 0.037992 -0.186790 -0.005815 -0.026992 -0.104128 -0.108536 9C 4s -0.165894 1.019910 0.045474 0.160702 0.463665 0.536074 9C 5s 0.161920 -0.019386 0.074128 -0.165423 -0.695839 -0.278237 9C 1pz 0.000051 0.026637 0.001001 0.006259 0.031053 0.014666 9C 1px -0.002671 -0.009352 0.001376 0.002200 0.003107 -0.001932 9C 1py -0.002666 0.013538 -0.002756 0.008962 0.019360 0.024587 9C 2pz 0.032746 -0.623084 -0.043528 -0.070905 -0.234115 -0.247185 9C 2px 0.048393 0.092397 -0.051898 -0.030833 0.010969 0.011667 9C 2py 0.034833 -0.381704 -0.002924 -0.097947 -0.140260 -0.270399 9C 3pz -0.043928 -0.032319 -0.018636 0.042878 0.122533 0.013789 9C 3px -0.014199 -0.034425 0.040389 -0.004895 0.017407 -0.028706 9C 3py 0.032093 -0.015525 -0.006567 0.042413 0.080724 0.031526 9C 1dz2 -0.000153 0.005031 -0.001213 -0.000555 -0.008510 0.007068 9C 1dxz 0.009534 0.024719 0.001703 0.002191 -0.007586 0.005228 9C 1dyz -0.006299 0.019826 0.005236 -0.003182 -0.009249 0.001984 9C 1dx2y2 0.003227 -0.009385 -0.004742 0.003801 0.006282 0.005538 9C 1dxy 0.000249 0.018237 0.002430 -0.000756 0.000061 -0.001129 9C 2dz2 0.027219 0.136843 0.011604 0.003930 0.057964 0.026363 9C 2dxz 0.029632 0.118229 -0.021151 0.036229 0.061593 0.054587 9C 2dyz -0.037424 0.118653 0.022733 0.026680 0.055113 0.105185 9C 2dx2y2 0.011618 -0.131163 0.011794 -0.009796 -0.046630 -0.067866 9C 2dxy -0.016764 0.022626 0.009603 0.009147 0.014543 0.003396 9C 1f0 -0.013299 0.023214 -0.000131 0.004067 0.003423 0.012224 9C 1f+1 -0.014835 0.003467 -0.007515 0.002412 0.016670 0.004039 9C 1f-1 0.008625 -0.025708 -0.001611 -0.000429 -0.024104 -0.025256 9C 1f+2 -0.021797 -0.017551 0.007298 -0.004486 -0.002049 0.003686 9C 1f-2 0.005103 -0.035067 0.000692 -0.006303 -0.008468 -0.005482 9C 1f+3 -0.020295 -0.019021 0.005172 -0.005337 -0.000661 0.001249 9C 1f-3 0.021176 0.023751 -0.008910 0.007407 0.016745 0.010600 10H 1s -0.020332 -0.037495 0.010791 0.002434 0.012834 -0.011939 10H 2s -0.041609 -0.211532 0.038734 -0.006491 0.055563 -0.053398 10H 3s 0.032609 0.024633 -0.022347 0.006632 0.041583 -0.015426 10H 1pz -0.017364 -0.031693 0.001762 -0.007526 -0.009712 0.001490 10H 1px 0.012266 0.052133 -0.011384 -0.002363 -0.017882 0.017147 10H 1py -0.003985 -0.015835 0.000208 -0.004500 -0.005929 0.001754 11H 1s 0.000105 0.025793 -0.009243 -0.002255 -0.015649 0.016249 11H 2s 0.040865 0.067451 -0.038655 -0.008792 -0.019474 0.039697 11H 3s 0.013210 -0.079076 0.039334 -0.001670 0.079050 -0.086160 11H 1pz 0.009077 0.017384 -0.007554 -0.004974 -0.001563 0.016695 11H 1px 0.003304 0.027975 -0.009846 -0.001689 -0.012256 0.014413 11H 1py -0.004846 0.001428 0.005783 -0.000179 0.006325 0.000845 12H 1s -0.018716 0.018675 0.003755 0.001242 -0.008078 0.002616 12H 2s 0.000395 0.040796 0.005769 0.017430 -0.012590 -0.020003 12H 3s 0.031109 -0.061600 0.017041 -0.024075 0.079174 -0.043538 12H 1pz 0.002968 0.016727 -0.000526 -0.001741 -0.003740 -0.004558 12H 1px 0.001218 0.021358 -0.003610 0.001597 -0.012097 0.005473 12H 1py -0.008557 0.018098 0.006414 0.004338 -0.008279 -0.008453 13H 1s 0.008405 -0.037421 -0.004802 0.001498 0.015053 -0.026555 13H 2s 0.062579 -0.119288 0.012328 0.037861 0.039445 -0.086636 13H 3s 0.028954 0.064323 -0.012766 0.001303 0.036289 -0.042107 13H 1pz 0.005269 -0.032941 0.001563 0.005518 0.001620 -0.007174 13H 1px -0.018394 0.022761 0.000576 -0.007050 -0.014764 0.028628 13H 1py 0.017527 0.027161 -0.006697 0.001519 0.016072 -0.025273 14H 1s -0.003243 -0.012413 0.001251 -0.003287 -0.001438 0.007419 14H 2s 0.060811 0.053927 -0.007872 0.001154 -0.002124 0.010675 14H 3s 0.050954 0.017370 -0.000188 0.004337 0.063432 -0.108787 14H 1pz 0.012176 0.004212 -0.001337 -0.002282 0.001402 -0.000833 14H 1px 0.000469 0.010267 0.001545 -0.003902 -0.009920 0.022606 14H 1py 0.012777 -0.010740 -0.002243 0.007713 0.008202 -0.016598 15H 1s -0.031714 -0.001038 0.006316 -0.005839 -0.017468 0.029629 15H 2s -0.084313 0.052704 0.008017 0.003071 -0.033354 0.078617 15H 3s 0.102770 0.004074 -0.022354 0.010578 0.080772 -0.146420 15H 1pz 0.017144 -0.007141 -0.007551 0.001867 0.015102 -0.022980 15H 1px -0.014824 0.004954 0.001042 -0.001551 -0.004649 0.014189 15H 1py 0.032973 -0.008363 0.001820 -0.001857 0.006733 -0.019297 16H 1s 0.026902 -0.018001 0.296762 0.200877 -0.041468 -0.011354 16H 2s 0.062320 0.069318 0.379409 0.247853 -0.059534 -0.041497 16H 3s -0.005877 -0.036725 -0.089274 -0.055823 -0.022178 0.008117 16H 1pz 0.041474 -0.008183 0.425271 0.285640 -0.068596 -0.032091 16H 1px -0.004675 0.009431 -0.038673 -0.022971 0.022335 0.005960 16H 1py 0.010016 -0.015798 0.090502 0.064804 0.014847 0.004564 17H 1s -0.025042 0.020301 0.299770 0.204665 -0.038684 -0.041549 17H 2s 0.024393 0.086169 0.375918 0.243754 -0.052631 -0.028816 17H 3s -0.030756 -0.008156 -0.094635 -0.059617 -0.022352 0.006353 17H 1pz 0.005903 -0.025100 -0.279862 -0.189953 0.036423 0.043135 17H 1px 0.026695 -0.032678 -0.298889 -0.198296 0.058389 0.011387 17H 1py -0.017994 0.004731 0.153490 0.107461 0.008048 -0.019544 18H 1s 0.023747 -0.020197 -0.207238 0.296487 -0.038824 0.042941 18H 2s -0.023084 -0.086228 -0.263169 0.358860 -0.052295 0.028890 18H 3s 0.030820 0.007372 0.067724 -0.089463 -0.022220 -0.006619 18H 1pz 0.005886 -0.025509 -0.196846 0.280118 -0.036580 0.044588 18H 1px 0.026480 -0.033163 -0.208414 0.290410 -0.058244 0.012157 18H 1py -0.017159 0.003691 0.098792 -0.145490 -0.009417 -0.018762 19H 1s -0.026618 0.018587 -0.206622 0.293435 -0.041940 0.013221 19H 2s -0.060200 -0.069919 -0.268543 0.367264 -0.060682 0.041848 19H 3s 0.006553 0.036295 0.063149 -0.083155 -0.022430 -0.008296 19H 1pz 0.039727 -0.008353 0.295435 -0.415880 0.069545 -0.033670 19H 1px -0.004453 0.009486 -0.030165 0.038097 -0.022850 0.005637 19H 1py 0.010862 -0.015690 0.068734 -0.102315 -0.013107 0.003237 20H 1s 0.031497 0.000815 -0.007687 -0.003052 -0.017546 -0.029326 20H 2s 0.082788 -0.052285 -0.005503 0.006058 -0.033755 -0.077041 20H 3s -0.102139 -0.004186 0.024302 0.001430 0.081235 0.145909 20H 1pz 0.016803 -0.007078 -0.007542 0.001086 -0.015085 -0.022470 20H 1px -0.015154 0.005007 0.001503 0.001087 0.004966 0.014587 20H 1py 0.032501 -0.008244 0.002605 0.001165 -0.006849 -0.018843 21H 1s 0.003768 0.012266 -0.002477 -0.002639 -0.001767 -0.008022 21H 2s -0.058996 -0.053682 0.007516 -0.001629 -0.002824 -0.012551 21H 3s -0.051556 -0.017227 0.001603 0.003566 0.064031 0.110084 21H 1pz 0.011903 0.004098 -0.000340 0.002653 -0.001423 -0.000533 21H 1px -0.000200 0.010301 0.002773 0.003036 0.010213 0.023202 21H 1py 0.012650 -0.010727 -0.004590 -0.006371 -0.007918 -0.016177 22H 1s -0.008501 0.037491 0.004902 -0.000451 0.015411 0.026795 22H 2s -0.062919 0.120933 0.000946 0.040230 0.040524 0.087768 22H 3s -0.028583 -0.064677 0.012256 -0.003475 0.035930 0.041541 22H 1pz 0.005131 -0.033054 -0.000324 -0.005783 -0.001650 -0.007093 22H 1px -0.018645 0.023156 0.002955 0.006425 0.015204 0.029120 22H 1py 0.017324 0.027675 -0.006744 0.001145 -0.016027 -0.024958 23H 1s 0.018085 -0.018929 -0.002772 0.002314 -0.008485 -0.002750 23H 2s 0.000835 -0.041896 0.001364 0.017816 -0.013459 0.018121 23H 3s -0.029853 0.061681 -0.025172 -0.016315 0.079038 0.042367 23H 1pz 0.002899 0.016146 0.000353 0.001701 0.003076 -0.004919 23H 1px 0.001458 0.021549 -0.004004 -0.000121 0.011948 0.005596 23H 1py -0.008709 0.018359 0.004180 -0.006178 0.008506 -0.008001 24H 1s -0.000941 -0.025512 0.007757 -0.005377 -0.015137 -0.015710 24H 2s -0.040409 -0.066230 0.033050 -0.022322 -0.018176 -0.038820 24H 3s -0.011569 0.077896 -0.038112 0.012421 0.077604 0.083511 24H 1pz 0.009239 0.017070 -0.005289 0.007533 0.001353 0.016491 24H 1px 0.003461 0.027939 -0.008762 0.005236 0.012117 0.014286 24H 1py -0.004874 0.002420 0.005383 -0.001780 -0.005660 0.001385 25H 1s 0.019511 0.038592 -0.008986 0.005982 0.012878 0.011820 25H 2s 0.041551 0.215231 -0.037470 0.006795 0.055935 0.052096 25H 3s -0.031167 -0.025855 0.023179 -0.001584 0.041134 0.014534 25H 1pz -0.017244 -0.033075 0.004236 0.006472 0.009311 0.001442 25H 1px 0.011897 0.053123 -0.009519 0.005971 0.017933 0.016740 25H 1py -0.003720 -0.015361 0.001495 0.004351 0.006266 0.002191 26O 1s 0.001270 0.002704 0.000315 -0.000295 -0.004962 0.001421 26O 2s 0.005230 0.008808 0.000216 -0.002180 -0.021403 0.006560 26O 3s -0.081411 -0.116454 0.015795 0.055764 0.362259 -0.117435 26O 4s 0.234965 0.382830 -0.059108 -0.220356 -1.030521 0.343032 26O 5s 0.083654 0.455259 -0.029928 -0.043187 -0.145998 0.086784 26O 1pz -0.011548 -0.035275 -0.001748 -0.005590 -0.010946 0.007352 26O 1px 0.003800 -0.019071 -0.008261 -0.010020 -0.082203 0.029864 26O 1py 0.043930 -0.035577 -0.011534 -0.013170 -0.034520 -0.001193 26O 2pz 0.034247 0.009986 0.016030 0.029220 0.055428 -0.036761 26O 2px -0.080315 -0.116108 0.083679 0.138036 0.639859 -0.235107 26O 2py -0.185077 -0.012339 0.065388 0.090317 0.263728 -0.070597 26O 3pz -0.094019 -0.002974 -0.096679 -0.028709 0.081157 0.059006 26O 3px -0.147038 -0.458166 -0.063739 0.030737 0.129074 -0.022641 26O 3py 0.090261 -0.174105 -0.034680 0.023037 0.084083 -0.086300 26O 1dz2 -0.035560 0.039329 -0.032716 0.008615 0.064019 0.007377 26O 1dxz -0.006169 -0.046374 -0.022366 -0.045830 -0.069137 0.010447 26O 1dyz -0.010486 0.097625 0.010434 0.021384 -0.063279 0.052055 26O 1dx2y2 -0.027948 0.038028 -0.023245 -0.003804 -0.062235 0.013388 26O 1dxy 0.045566 0.008762 -0.046348 -0.046087 -0.115724 0.077601 26O 2dz2 -0.026886 -0.023729 0.044887 0.033087 0.130915 -0.070324 26O 2dxz -0.010818 0.052413 0.016966 0.015607 -0.013693 0.001081 26O 2dyz 0.016278 -0.009702 -0.000647 -0.007364 0.022942 -0.026313 26O 2dx2y2 -0.006037 0.007245 -0.005872 -0.028807 -0.160656 0.047150 26O 2dxy 0.063322 0.026943 -0.010170 -0.025483 -0.138700 0.042146 26O 1f0 0.032194 -0.062398 0.003858 -0.006884 -0.086145 0.010409 26O 1f+1 0.089618 0.066875 -0.051427 -0.036539 -0.158269 0.087428 26O 1f-1 0.048414 0.058295 -0.029368 -0.030481 -0.093135 0.060932 26O 1f+2 0.084909 -0.017043 -0.010004 0.012900 0.102777 -0.025559 26O 1f-2 -0.021212 0.132382 -0.010457 -0.001914 0.055302 -0.005274 26O 1f+3 -0.097877 0.099261 0.014946 0.016682 -0.049837 -0.016952 26O 1f-3 0.032268 -0.023141 -0.024972 -0.038060 -0.226239 0.083116 27O 1s 0.001695 0.002951 -0.000586 -0.001912 -0.004392 0.004778 27O 2s 0.008844 0.011964 -0.001203 -0.008012 -0.019703 0.021487 27O 3s -0.145842 -0.184841 -0.001208 0.133871 0.347016 -0.380081 27O 4s 0.331241 0.525074 0.004618 -0.388459 -1.013758 1.119203 27O 5s -0.189754 0.325567 0.200658 -0.033556 -0.134439 0.219748 27O 1pz 0.024463 0.026539 -0.003950 0.001788 0.001499 -0.011385 27O 1px 0.088850 0.042246 0.011473 -0.026455 -0.087746 0.081546 27O 1py -0.067441 0.005381 -0.001152 0.009697 0.023690 -0.015288 27O 2pz -0.031974 -0.094135 0.020244 -0.013388 -0.038537 0.052002 27O 2px -0.301654 -0.334280 -0.090617 0.225027 0.699025 -0.752565 27O 2py 0.157800 0.038141 0.017536 -0.060350 -0.147537 0.154121 27O 3pz -0.035400 0.164834 0.077207 0.081239 -0.019361 0.017103 27O 3px 0.182756 -0.236656 0.103605 0.208013 0.051377 -0.203960 27O 3py -0.003712 0.108372 -0.075027 -0.133089 -0.007129 0.015369 27O 1dz2 0.004464 -0.016044 -0.027603 0.037157 0.071420 0.012671 27O 1dxz 0.047639 0.033191 -0.007783 -0.002463 -0.036668 0.016753 27O 1dyz 0.170874 0.013769 -0.031148 0.006562 0.005731 -0.225153 27O 1dx2y2 0.076828 0.060862 -0.006999 -0.037305 -0.100527 0.160665 27O 1dxy -0.085935 -0.034606 -0.008504 0.026887 0.134250 -0.192638 27O 2dz2 -0.071027 -0.060013 -0.002261 0.040218 0.120732 -0.191603 27O 2dxz -0.024847 0.031785 -0.014009 0.013124 0.051127 -0.040463 27O 2dyz -0.066428 -0.030255 0.020631 -0.012955 -0.022161 0.150167 27O 2dx2y2 0.067339 0.086465 0.027333 -0.074143 -0.212138 0.212475 27O 2dxy -0.039278 -0.043930 -0.013407 0.030595 0.038149 -0.012347 27O 1f0 0.096968 0.035116 -0.020339 0.007149 0.009013 -0.024339 27O 1f+1 0.141927 0.036417 0.020102 -0.067913 -0.173782 0.215518 27O 1f-1 -0.070222 0.034969 -0.005956 0.022321 0.046464 -0.046104 27O 1f+2 0.028621 -0.010597 0.021686 0.005390 0.020154 -0.047562 27O 1f-2 0.119064 0.051977 -0.028188 0.021070 0.045734 -0.110056 27O 1f+3 -0.031810 0.132049 0.006891 -0.062238 -0.181834 0.234256 27O 1f-3 -0.222230 -0.074959 -0.022860 0.065572 0.197688 -0.195579 28O 1s -0.000828 -0.003764 -0.000100 -0.001776 -0.004270 0.001599 28O 2s -0.003294 -0.017306 -0.001335 -0.007069 -0.019225 0.007114 28O 3s 0.048606 0.274978 0.038410 0.110255 0.339856 -0.125096 28O 4s -0.131157 -0.671083 -0.116652 -0.315376 -0.997597 0.370956 28O 5s -0.121057 -0.058202 -0.189326 0.093182 -0.147062 0.101038 28O 1pz -0.024383 -0.111073 -0.006758 -0.015564 -0.061087 0.016650 28O 1px -0.006688 0.069097 0.013055 0.014084 0.062989 -0.021525 28O 1py 0.034420 -0.043470 -0.001383 -0.005688 -0.011263 0.000155 28O 2pz 0.128439 0.420586 0.074421 0.108060 0.450655 -0.166132 28O 2px -0.012047 -0.365352 -0.110998 -0.116057 -0.535952 0.196420 28O 2py -0.110257 0.125143 0.016864 0.023642 0.064792 -0.014121 28O 3pz -0.044772 0.017542 -0.059767 0.229982 -0.001092 0.016231 28O 3px -0.135487 0.014356 -0.015623 -0.070848 -0.062097 0.075623 28O 3py 0.128437 0.023682 -0.003072 0.060972 -0.001074 -0.025716 28O 1dz2 -0.040267 -0.041593 -0.000600 -0.008698 -0.078435 0.164937 28O 1dxz 0.024884 0.161387 0.025512 0.045896 0.138311 0.070529 28O 1dyz 0.022429 0.088068 -0.035022 0.004448 -0.054796 0.017577 28O 1dx2y2 -0.003230 0.012010 -0.005273 -0.007639 -0.040607 0.187742 28O 1dxy -0.026674 0.145106 -0.018585 0.009964 0.055178 -0.054908 28O 2dz2 -0.043271 -0.042639 0.005522 -0.005002 0.015167 -0.089489 28O 2dxz 0.027306 0.143301 0.032444 0.053520 0.198503 -0.145647 28O 2dyz 0.014723 -0.092373 0.004494 -0.004876 0.009162 -0.000088 28O 2dx2y2 -0.008070 -0.101268 -0.028031 -0.036703 -0.141660 -0.047571 28O 2dxy -0.025517 -0.009401 0.026743 0.005299 0.014213 0.014981 28O 1f0 0.105443 -0.025342 -0.041585 -0.022890 -0.077736 0.077176 28O 1f+1 -0.055187 -0.245860 -0.007721 -0.064996 -0.186316 0.069677 28O 1f-1 -0.021226 0.213507 -0.000947 -0.001684 -0.011301 0.013937 28O 1f+2 0.068426 0.136607 0.030458 0.060946 0.212154 -0.085589 28O 1f-2 0.079223 -0.131008 -0.025529 -0.016935 -0.078399 0.027614 28O 1f+3 0.043869 0.061729 0.006568 0.020113 0.064437 0.009097 28O 1f-3 0.017743 -0.047891 -0.024803 -0.008793 -0.076654 0.020078 29O 1s 0.000712 0.002408 -0.011716 -0.008070 0.002740 0.001031 29O 2s 0.002058 0.007045 -0.040399 -0.027797 0.008388 0.003543 29O 3s -0.020926 -0.073746 0.577389 0.396991 -0.102374 -0.050104 29O 4s 0.079898 0.253121 -1.359313 -0.954568 0.213017 0.116244 29O 5s -0.233734 -0.636325 0.071179 0.154056 0.028888 -0.003800 29O 1pz -0.017081 0.010947 -0.027433 -0.019507 -0.002473 -0.004922 29O 1px -0.002523 0.006722 0.049876 0.038372 0.014521 -0.008224 29O 1py 0.004921 -0.002790 -0.097266 -0.064267 0.014694 0.012277 29O 2pz 0.085633 -0.051380 0.178086 0.122721 -0.009378 0.008441 29O 2px 0.015166 -0.039798 -0.343953 -0.244982 -0.014742 0.041690 29O 2py -0.012281 0.017729 0.562239 0.375311 -0.080069 -0.057474 29O 3pz -0.072556 -0.001654 -0.015377 0.001666 -0.019123 -0.005040 29O 3px 0.049547 0.223002 0.070522 0.014197 0.038181 0.002307 29O 3py 0.100093 0.120465 0.071424 0.038963 -0.052591 -0.013077 29O 1dz2 -0.005842 -0.028826 -0.551013 -0.366759 0.095827 0.071957 29O 1dxz -0.010709 0.011815 -0.232633 -0.160973 -0.047814 -0.006814 29O 1dyz -0.033372 0.016522 -0.037392 -0.023858 -0.005869 -0.052947 29O 1dx2y2 -0.017697 -0.016933 -0.313531 -0.196844 0.257088 0.005344 29O 1dxy 0.013994 0.035059 0.433659 0.283264 -0.082806 0.008328 29O 2dz2 -0.013070 0.029810 0.144372 0.093091 -0.038441 -0.037302 29O 2dxz 0.023302 -0.012980 0.008207 0.005514 0.040927 0.017344 29O 2dyz -0.011220 0.011192 -0.019889 -0.014060 0.011894 0.029890 29O 2dx2y2 0.010830 -0.002207 0.224093 0.145575 -0.160876 -0.005384 29O 2dxy -0.019461 -0.007115 -0.059801 -0.034220 0.026303 -0.023344 29O 1f0 0.000578 -0.000773 0.208524 0.145227 -0.010419 -0.014497 29O 1f+1 0.003970 0.007150 -0.059662 -0.044289 -0.008427 -0.005217 29O 1f-1 0.017247 0.006954 0.295119 0.195747 -0.050384 -0.010437 29O 1f+2 -0.011829 0.011279 -0.107106 -0.076445 0.008427 0.021750 29O 1f-2 -0.006649 0.022425 0.181676 0.120139 -0.031343 -0.025517 29O 1f+3 -0.000633 -0.009565 -0.160797 -0.109627 0.036858 0.013708 29O 1f-3 0.015503 0.010064 -0.062250 -0.046638 -0.008569 0.019101 30O 1s 0.000185 -0.002982 -0.000220 -0.000264 -0.005120 0.004916 30O 2s 0.002869 -0.011865 -0.000092 -0.002607 -0.022045 0.021900 30O 3s -0.057281 0.174076 -0.012259 0.074760 0.371771 -0.384167 30O 4s 0.085531 -0.466197 0.023770 -0.289914 -1.054577 1.129555 30O 5s -0.292350 -0.210564 0.082816 -0.150029 -0.078945 0.222935 30O 1pz 0.059382 0.009224 0.000904 -0.007747 -0.050353 0.044624 30O 1px -0.022432 0.027979 -0.006793 0.009014 0.062801 -0.061421 30O 1py -0.079418 0.042413 -0.005611 0.019915 0.050187 -0.035126 30O 2pz -0.127613 0.041959 -0.027759 0.112070 0.355557 -0.383809 30O 2px 0.074184 -0.192221 0.054167 -0.150952 -0.503865 0.548466 30O 2py 0.161736 -0.232334 0.044202 -0.156877 -0.357916 0.382110 30O 3pz 0.132767 0.249930 0.078114 -0.030857 0.088024 -0.041902 30O 3px -0.267745 -0.158032 0.005251 -0.072326 -0.054037 0.174062 30O 3py -0.113366 -0.026379 -0.068473 0.014887 -0.096263 0.076810 30O 1dz2 0.073418 0.021050 0.008456 -0.034919 0.025738 -0.121932 30O 1dxz -0.051801 0.017662 0.009835 0.009910 0.101327 -0.129833 30O 1dyz 0.067307 0.016273 -0.048393 0.045172 0.113244 -0.220565 30O 1dx2y2 -0.048932 0.027660 0.017400 0.015175 0.035815 -0.079787 30O 1dxy 0.117514 -0.087494 0.016806 -0.070805 -0.080023 0.008011 30O 2dz2 -0.034254 0.049007 -0.018728 0.037847 0.025355 0.010210 30O 2dxz -0.030346 0.035416 -0.024643 0.050636 0.149886 -0.144584 30O 2dyz -0.061635 0.060848 0.015829 0.010130 0.075483 -0.021619 30O 2dx2y2 0.028207 0.010953 0.001995 -0.026461 -0.091384 0.121938 30O 2dxy 0.008126 -0.063940 0.017139 -0.037590 -0.169951 0.242251 30O 1f0 0.142404 -0.113779 0.022743 -0.025136 -0.107002 0.090172 30O 1f+1 0.040572 0.033831 -0.004896 0.000659 -0.068235 0.057350 30O 1f-1 0.082652 0.085430 -0.024815 0.025130 -0.034930 -0.006724 30O 1f+2 0.160028 -0.016134 -0.020598 0.023085 0.048455 -0.093199 30O 1f-2 -0.118192 0.091709 -0.016528 0.044513 0.247621 -0.258424 30O 1f+3 0.072726 -0.067478 0.012232 -0.041868 -0.118341 0.158050 30O 1f-3 0.055975 0.041316 -0.020537 0.042043 0.150868 -0.210842 31O 1s -0.000194 0.003019 0.000128 -0.000292 -0.005143 -0.004911 31O 2s -0.002908 0.012001 -0.000742 -0.002338 -0.022145 -0.021881 31O 3s 0.057987 -0.176008 0.035507 0.063404 0.373610 0.383993 31O 4s -0.087889 0.471582 -0.115874 -0.256471 -1.060325 -1.129348 31O 5s 0.289842 0.214811 -0.115459 -0.105286 -0.086000 -0.223809 31O 1pz 0.059419 0.009031 0.003435 0.006888 0.050433 0.044657 31O 1px -0.022591 0.028283 -0.009390 -0.005724 -0.063017 -0.061349 31O 1py -0.079634 0.042447 -0.012220 -0.016724 -0.050234 -0.035083 31O 2pz -0.128485 0.043764 -0.062063 -0.093380 -0.357513 -0.384120 31O 2px 0.075491 -0.194578 0.099360 0.118753 0.506830 0.548368 31O 2py 0.163234 -0.233843 0.093392 0.129792 0.359807 0.382086 31O 3pz 0.132817 0.251300 0.086319 0.002277 -0.089469 -0.041796 31O 3px -0.267021 -0.160447 0.025860 0.064388 0.056593 0.174604 31O 3py -0.113817 -0.028540 -0.069846 0.010232 0.096628 0.076524 31O 1dz2 -0.073456 -0.021914 -0.020625 -0.030440 0.026924 0.122188 31O 1dxz 0.051564 -0.018048 -0.007243 0.011433 0.103171 0.130326 31O 1dyz -0.066815 -0.017025 0.060235 0.024311 0.113675 0.220290 31O 1dx2y2 0.048626 -0.027564 -0.011569 0.020001 0.036764 0.080304 31O 1dxy -0.117714 0.087464 -0.039997 -0.059987 -0.079879 -0.007876 31O 2dz2 0.034363 -0.048674 0.030913 0.029011 0.024829 -0.010459 31O 2dxz 0.030802 -0.036040 0.039883 0.038253 0.149981 0.144374 31O 2dyz 0.061793 -0.061349 -0.012037 0.014581 0.076095 0.021793 31O 2dx2y2 -0.028100 -0.010942 -0.010309 -0.023525 -0.092330 -0.122255 31O 2dxy -0.008549 0.064816 -0.027997 -0.028294 -0.171089 -0.242255 31O 1f0 0.142505 -0.113819 0.030340 0.015360 0.106935 0.089952 31O 1f+1 0.040495 0.033547 -0.005466 0.000847 0.068486 0.057422 31O 1f-1 0.082484 0.084955 -0.032483 -0.015175 0.035219 -0.006610 31O 1f+2 0.159922 -0.015848 -0.026859 -0.014172 -0.048669 -0.093198 31O 1f-2 -0.118490 0.092588 -0.030479 -0.035204 -0.248369 -0.258335 31O 1f+3 0.072954 -0.068054 0.026124 0.034846 0.118512 0.157965 31O 1f-3 0.055678 0.041955 -0.033249 -0.031457 -0.151695 -0.210889 32O 1s -0.000681 -0.002422 0.008076 -0.011673 0.002749 -0.001090 32O 2s -0.001968 -0.007086 0.027875 -0.040237 0.008423 -0.003743 32O 3s 0.020120 0.074164 -0.398696 0.574975 -0.102924 0.052732 32O 4s -0.078124 -0.253897 0.931807 -1.372677 0.214397 -0.122331 32O 5s 0.229334 0.637089 -0.011816 0.170146 0.028707 0.006475 32O 1pz -0.016789 0.011204 -0.017255 0.025866 0.002637 -0.004976 32O 1px -0.002255 0.006574 0.033570 -0.054187 -0.014434 -0.008500 32O 1py 0.004621 -0.002534 -0.068235 0.094565 -0.014767 0.012594 32O 2pz 0.083594 -0.052812 0.114630 -0.165605 0.008410 0.008776 32O 2px 0.014130 -0.039539 -0.237591 0.354544 0.014083 0.043223 32O 2py -0.010720 0.016409 0.393130 -0.550349 0.080735 -0.059192 32O 3pz -0.072643 -0.001368 -0.014484 0.003641 0.018508 -0.004959 32O 3px 0.049239 0.222320 0.061066 -0.037828 -0.038523 0.002657 32O 3py 0.098703 0.121209 0.053093 -0.061880 0.052832 -0.012852 32O 1dz2 0.004064 0.029413 0.384389 -0.536776 0.096047 -0.075107 32O 1dxz 0.010280 -0.010965 0.164969 -0.238421 -0.045686 0.005451 32O 1dyz 0.033275 -0.015820 0.047396 -0.064154 0.003089 0.049564 32O 1dx2y2 0.017166 0.017990 0.226749 -0.300159 0.259257 -0.007909 32O 1dxy -0.014422 -0.034550 -0.298704 0.409788 -0.080932 -0.008782 32O 2dz2 0.012198 -0.029405 -0.101551 0.137607 -0.038426 0.038319 32O 2dxz -0.023287 0.013262 -0.007122 0.009566 0.039931 -0.017162 32O 2dyz 0.010826 -0.012185 0.006444 -0.010413 0.007481 -0.028365 32O 2dx2y2 -0.011048 0.002280 -0.159207 0.217447 -0.162180 0.006860 32O 2dxy 0.018874 0.007178 0.041999 -0.050920 0.025239 0.023929 32O 1f0 0.000306 -0.001003 0.131557 -0.192595 0.008030 -0.015072 32O 1f+1 0.003704 0.006571 -0.048148 0.074055 0.006811 -0.003246 32O 1f-1 0.016588 0.007106 0.212389 -0.295906 0.051331 -0.012083 32O 1f+2 -0.011840 0.011532 -0.082647 0.122876 -0.010467 0.023371 32O 1f-2 -0.006147 0.022824 0.125773 -0.174184 0.032167 -0.026091 32O 1f+3 -0.001416 -0.009176 -0.107113 0.153217 -0.036267 0.013353 32O 1f-3 0.015478 0.009664 -0.040971 0.064395 0.008200 0.018958 33O 1s 0.000821 0.003839 -0.000533 -0.001718 -0.004241 -0.001574 33O 2s 0.003278 0.017577 -0.001261 -0.007155 -0.019094 -0.007016 33O 3s -0.048657 -0.278521 0.003750 0.117578 0.337553 0.123531 33O 4s 0.131977 0.680171 -0.005554 -0.339017 -0.990585 -0.366183 33O 5s 0.121987 0.061371 0.198660 0.018343 -0.143573 -0.100237 33O 1pz -0.024420 -0.111466 -0.001029 0.016685 0.060821 0.016441 33O 1px -0.006622 0.069907 0.007336 -0.017780 -0.062686 -0.021313 33O 1py 0.034230 -0.043440 0.000627 0.005673 0.011451 0.000252 33O 2pz 0.128936 0.423984 0.030147 -0.126836 -0.447487 -0.164033 33O 2px -0.012880 -0.369923 -0.061098 0.148613 0.532579 0.194367 33O 2py -0.109474 0.125732 0.007337 -0.027760 -0.065415 -0.014363 33O 3pz -0.043766 0.019433 -0.141643 -0.195148 0.002261 0.015728 33O 3px -0.135879 0.012049 0.015191 0.072950 0.060352 0.075207 33O 3py 0.128966 0.024509 -0.026278 -0.057351 0.001486 -0.025743 33O 1dz2 0.040316 0.041797 -0.002846 -0.008478 -0.077976 -0.165034 33O 1dxz -0.024828 -0.161833 -0.007413 0.052522 0.136780 -0.070991 33O 1dyz -0.022312 -0.086599 0.033842 -0.008070 -0.053750 -0.017228 33O 1dx2y2 0.003485 -0.010842 0.001253 -0.009252 -0.040723 -0.187373 33O 1dxy 0.026130 -0.144551 0.020640 0.003042 0.055764 0.055250 33O 2dz2 0.043145 0.043076 -0.006962 -0.002517 0.015442 0.089915 33O 2dxz -0.027696 -0.144892 -0.010589 0.061192 0.197410 0.144808 33O 2dyz -0.014363 0.092445 -0.005967 -0.003401 0.008547 -0.000121 33O 2dx2y2 0.008244 0.101653 0.013250 -0.044168 -0.140673 0.047857 33O 2dxy 0.025389 0.008385 -0.022775 0.014499 0.013977 -0.015125 33O 1f0 0.105093 -0.025550 -0.030512 0.036172 0.077400 0.077160 33O 1f+1 -0.055039 -0.246683 0.015524 0.062909 0.184804 0.068628 33O 1f-1 -0.020394 0.213399 -0.000161 0.001569 0.010857 0.013756 33O 1f+2 0.068470 0.138292 0.007058 -0.067135 -0.210976 -0.084930 33O 1f-2 0.078426 -0.132673 -0.017825 0.025303 0.078392 0.027606 33O 1f+3 0.044124 0.062390 -0.000814 -0.020755 -0.064174 0.009241 33O 1f-3 0.017316 -0.049382 -0.019990 0.017051 0.076505 0.019932 34O 1s -0.001685 -0.002997 -0.000108 -0.002013 -0.004397 -0.004781 34O 2s -0.008805 -0.012126 -0.001603 -0.007977 -0.019738 -0.021505 34O 3s 0.145305 0.186974 0.046136 0.125558 0.347808 0.380468 34O 4s -0.329834 -0.530949 -0.134069 -0.364547 -1.015988 -1.120494 34O 5s 0.191289 -0.326833 -0.188372 0.032477 -0.135752 -0.221094 34O 1pz 0.024435 0.026525 -0.004312 -0.000387 -0.001603 -0.011374 34O 1px 0.088586 0.042795 0.019671 0.020413 0.088072 0.081646 34O 1py -0.067410 0.005397 -0.004450 -0.008384 -0.023866 -0.015291 34O 2pz -0.031827 -0.094045 0.023531 0.005940 0.038886 0.052114 34O 2px -0.300336 -0.337733 -0.158552 -0.178874 -0.701338 -0.753500 34O 2py 0.157477 0.038875 0.036460 0.049731 0.148475 0.154347 34O 3pz -0.036179 0.165402 0.043077 -0.102968 0.019136 0.017017 34O 3px 0.182738 -0.237673 0.028791 -0.235748 -0.051384 -0.205298 34O 3py -0.003486 0.109216 -0.024691 0.153313 0.006091 0.016236 34O 1dz2 -0.004367 0.016709 0.038185 0.025430 0.071358 -0.012708 34O 1dxz -0.047780 -0.032713 0.006164 -0.004794 -0.036837 -0.016487 34O 1dyz -0.171105 -0.013372 0.030342 -0.005224 0.006424 0.225325 34O 1dx2y2 -0.076772 -0.060819 -0.005830 -0.037753 -0.100692 -0.160851 34O 1dxy 0.085609 0.034971 0.016798 0.022226 0.134703 0.192948 34O 2dz2 0.070793 0.060352 0.015424 0.036703 0.121284 0.191836 34O 2dxz 0.025020 -0.031953 0.017785 0.007338 0.051332 0.040446 34O 2dyz 0.066479 0.030120 -0.023250 -0.004470 -0.022666 -0.150291 34O 2dx2y2 -0.067118 -0.087220 -0.050034 -0.059283 -0.213051 -0.212699 34O 2dxy 0.039098 0.044588 0.022694 0.024260 0.038204 0.012397 34O 1f0 0.096934 0.034902 -0.021451 0.000243 -0.009014 -0.024418 34O 1f+1 0.141770 0.036969 0.042103 0.055880 0.174495 0.215684 34O 1f-1 -0.070193 0.034912 -0.013357 -0.018795 -0.046584 -0.046054 34O 1f+2 0.028722 -0.010699 0.018668 -0.012357 -0.020352 -0.047457 34O 1f-2 0.119020 0.051914 -0.033331 -0.009673 -0.046112 -0.110132 34O 1f+3 -0.032014 0.132490 0.027239 0.054530 0.183022 0.234440 34O 1f-3 -0.221762 -0.075973 -0.043546 -0.052912 -0.198315 -0.195701 35O 1s -0.001270 -0.002790 -0.000382 -0.000152 -0.004944 -0.001416 35O 2s -0.005234 -0.009132 -0.000936 -0.001907 -0.021322 -0.006524 35O 3s 0.081415 0.121141 0.005216 0.056475 0.360880 0.116617 35O 4s -0.234674 -0.396527 -0.025678 -0.222314 -1.026847 -0.340469 35O 5s -0.085265 -0.465573 -0.000801 -0.039825 -0.149050 -0.086543 35O 1pz -0.011629 -0.035440 0.000333 0.006105 0.010796 0.007257 35O 1px 0.003875 -0.018017 -0.004373 0.012367 0.081787 0.029701 35O 1py 0.044031 -0.035000 -0.006119 0.016576 0.034349 -0.001234 35O 2pz 0.034486 0.009463 0.003946 -0.033335 -0.054631 -0.036288 35O 2px -0.080506 -0.124165 0.026686 -0.155514 -0.637382 -0.233348 35O 2py -0.185395 -0.017426 0.027552 -0.106828 -0.262906 -0.070117 35O 3pz -0.092794 -0.002516 -0.079005 0.060479 -0.081278 0.058718 35O 3px -0.146353 -0.462452 -0.074824 -0.003275 -0.129332 -0.022830 35O 3py 0.091174 -0.175933 -0.040680 -0.009777 -0.084174 -0.086584 35O 1dz2 0.035351 -0.039366 0.034104 -0.004528 0.065251 -0.007828 35O 1dxz 0.006042 0.047509 0.004450 -0.050534 -0.068711 -0.009998 35O 1dyz 0.010849 -0.098993 -0.002723 0.024631 -0.062828 -0.051817 35O 1dx2y2 0.027902 -0.037976 0.020129 -0.011154 -0.061500 -0.013149 35O 1dxy -0.045929 -0.010590 0.026643 -0.058892 -0.115120 -0.077273 35O 2dz2 0.026995 0.025272 -0.029966 0.046863 0.129462 0.070088 35O 2dxz 0.010997 -0.053459 -0.010591 0.020887 -0.013525 -0.001037 35O 2dyz -0.016294 0.009697 -0.001861 -0.007295 0.022739 0.026272 35O 2dx2y2 0.006151 -0.007937 -0.005185 -0.028363 -0.160050 -0.046495 35O 2dxy -0.063228 -0.029259 -0.000006 -0.027119 -0.138445 -0.041885 35O 1f0 0.031909 -0.062325 0.005948 0.005036 0.085272 0.010033 35O 1f+1 0.089703 0.068198 -0.035190 0.052598 0.156869 0.086898 35O 1f-1 0.048765 0.060035 -0.016655 0.039184 0.092379 0.060815 35O 1f+2 0.084893 -0.017388 -0.014061 -0.008305 -0.101895 -0.025209 35O 1f-2 -0.020585 0.132264 -0.008598 0.005259 -0.055013 -0.005050 35O 1f+3 -0.098105 0.097757 0.008197 -0.021529 0.049111 -0.017615 35O 1f-3 0.032346 -0.020893 -0.010500 0.044858 0.225271 0.082482 684 685 686 687 688 689 6.30950 6.31164 6.35028 6.37880 6.38140 6.40488 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s 0.000005 0.000141 -0.000000 -0.000018 -0.000216 0.000024 0Rh 2s -0.000129 -0.000805 0.000059 0.000096 0.001298 -0.000141 0Rh 3s -0.000044 0.000383 0.000033 -0.000055 -0.000547 0.000063 0Rh 4s 0.000768 0.005334 -0.000327 -0.000651 -0.008592 0.000931 0Rh 5s -0.002304 -0.014800 0.000846 0.001840 0.024156 -0.002538 0Rh 6s 0.003875 0.017281 -0.001109 -0.002162 -0.029410 0.002749 0Rh 7s -0.015178 -0.033895 0.000316 0.007901 0.073257 -0.007030 0Rh 8s -0.012130 -0.017705 0.002853 -0.007935 0.010312 -0.004096 0Rh 1pz 0.018530 -0.020477 0.000041 -0.008070 -0.002872 -0.008098 0Rh 1px 0.004648 -0.001367 0.000328 -0.003783 0.001341 -0.003135 0Rh 1py 0.003854 -0.035189 0.001616 0.002869 -0.011619 0.000358 0Rh 2pz -0.077585 0.085726 -0.000148 0.033363 0.011812 0.034181 0Rh 2px -0.019440 0.005679 -0.001374 0.015680 -0.005568 0.013237 0Rh 2py -0.016148 0.147346 -0.006761 -0.011833 0.048235 -0.001523 0Rh 3pz 0.256576 -0.283232 -0.000021 -0.100298 -0.034125 -0.118061 0Rh 3px 0.063856 -0.017845 0.004530 -0.048076 0.017256 -0.045852 0Rh 3py 0.053648 -0.487408 0.022231 0.034946 -0.149591 0.005466 0Rh 4pz -0.340618 0.375411 0.001944 0.093648 0.026429 0.167966 0Rh 4px -0.083444 0.020823 -0.005899 0.048843 -0.018029 0.065915 0Rh 4py -0.071971 0.647433 -0.028775 -0.030319 0.158627 -0.007885 0Rh 5pz 0.201119 -0.222096 -0.005564 0.053618 0.035747 -0.109881 0Rh 5px 0.047183 -0.007898 0.003050 0.013348 -0.006310 -0.045093 0Rh 5py 0.043642 -0.383698 0.013634 -0.025448 0.021279 0.004676 0Rh 6pz -0.126514 0.136433 -0.056524 -0.389493 -0.229628 0.332464 0Rh 6px -0.015765 0.039955 -0.026405 -0.159155 0.122077 0.147684 0Rh 6py -0.027399 0.251942 0.026763 0.178692 -0.528326 -0.079833 0Rh 1dz2 0.001026 -0.001682 0.006761 0.008826 0.004381 0.008555 0Rh 1dxz -0.001334 0.001168 0.001017 -0.013221 -0.005077 -0.009723 0Rh 1dyz -0.000241 -0.000256 0.019675 -0.002231 0.004552 0.001502 0Rh 1dx2y2 -0.000552 0.000529 0.003317 -0.006354 0.002271 -0.003992 0Rh 1dxy -0.000188 0.002650 0.008216 0.004775 -0.013308 0.003352 0Rh 2dz2 -0.000494 0.000785 -0.003235 -0.003579 -0.001769 -0.003245 0Rh 2dxz 0.000880 -0.000967 -0.000347 0.005301 0.002080 0.003952 0Rh 2dyz 0.000173 0.000087 -0.009104 0.000863 -0.001865 -0.000630 0Rh 2dx2y2 0.000209 0.000179 -0.001530 0.002543 -0.001038 0.001634 0Rh 2dxy 0.000107 -0.001631 -0.003726 -0.001892 0.005242 -0.001371 0Rh 3dz2 -0.003176 0.005318 -0.022116 -0.031122 -0.015508 -0.031350 0Rh 3dxz 0.002922 -0.001599 -0.003816 0.046927 0.017845 0.034285 0Rh 3dyz 0.000469 0.000969 -0.065461 0.007957 -0.016068 -0.005243 0Rh 3dx2y2 0.002018 -0.003799 -0.011006 0.022519 -0.007484 0.013999 0Rh 3dxy 0.000512 -0.006443 -0.027656 -0.017107 0.047666 -0.011788 0Rh 4dz2 0.006089 -0.010249 0.054444 0.067528 0.033828 0.068533 0Rh 4dxz -0.003554 -0.000147 0.007573 -0.101741 -0.038823 -0.072731 0Rh 4dyz -0.000645 -0.001826 0.157567 -0.016114 0.035777 0.011730 0Rh 4dx2y2 -0.004616 0.010752 0.025874 -0.048478 0.016118 -0.029628 0Rh 4dxy -0.000996 0.009871 0.066173 0.037764 -0.103269 0.025142 0Rh 5dz2 0.000503 0.001949 -0.094610 -0.093975 -0.046599 -0.089557 0Rh 5dxz -0.016982 0.031000 -0.006840 0.142589 0.055784 0.084551 0Rh 5dyz 0.000101 -0.008398 -0.261264 0.020756 -0.051786 -0.017165 0Rh 5dx2y2 0.007081 -0.033539 -0.040561 0.066851 -0.023986 0.035604 0Rh 5dxy 0.000026 0.018114 -0.109045 -0.054552 0.146037 -0.029270 0Rh 1f0 0.002009 0.004839 0.004203 -0.016005 0.010197 -0.012998 0Rh 1f+1 0.000723 0.000908 -0.005161 -0.007296 -0.000605 -0.014433 0Rh 1f-1 -0.005373 0.014384 0.003980 0.011047 0.021058 0.006159 0Rh 1f+2 0.004922 -0.001941 0.004331 -0.016410 0.002799 -0.000829 0Rh 1f-2 -0.000438 0.006227 -0.011699 -0.002318 0.009781 0.002890 0Rh 1f+3 -0.002114 -0.000113 0.000492 0.008077 0.000178 -0.000625 0Rh 1f-3 0.001172 -0.002306 0.006788 -0.001143 -0.006766 -0.000136 1Rh 1s -0.000000 -0.000141 -0.000003 -0.000015 -0.000220 -0.000030 1Rh 2s 0.000107 0.000799 0.000076 0.000069 0.001332 0.000180 1Rh 3s 0.000062 -0.000390 0.000028 -0.000052 -0.000554 -0.000077 1Rh 4s -0.000619 -0.005306 -0.000433 -0.000482 -0.008807 -0.001187 1Rh 5s 0.001894 0.014725 0.001141 0.001351 0.024767 0.003268 1Rh 6s -0.003480 -0.017141 -0.001468 -0.001483 -0.030214 -0.003702 1Rh 7s 0.015139 0.033275 0.000884 0.006652 0.075811 0.010396 1Rh 8s 0.012959 0.016997 0.004215 -0.009833 0.010719 0.003593 1Rh 1pz 0.018413 -0.020537 0.000084 0.008047 0.002882 -0.008427 1Rh 1px 0.004675 -0.001368 -0.000316 0.003782 -0.001418 -0.003247 1Rh 1py 0.003793 -0.035234 -0.001697 -0.002842 0.011667 0.000817 1Rh 2pz -0.077094 0.085976 -0.000375 -0.033265 -0.011856 0.035559 1Rh 2px -0.019557 0.005682 0.001319 -0.015675 0.005891 0.013705 1Rh 2py -0.015891 0.147532 0.007104 0.011718 -0.048436 -0.003447 1Rh 3pz 0.254908 -0.284068 0.001755 0.099956 0.034298 -0.122605 1Rh 3px 0.064268 -0.017864 -0.004324 0.048042 -0.018340 -0.047344 1Rh 3py 0.052775 -0.488025 -0.023413 -0.034547 0.150266 0.011806 1Rh 4pz -0.338280 0.376525 -0.004247 -0.093143 -0.026743 0.173878 1Rh 4px -0.084088 0.020881 0.005546 -0.048736 0.019505 0.067657 1Rh 4py -0.070741 0.648249 0.030466 0.029743 -0.159537 -0.016106 1Rh 5pz 0.199615 -0.222718 0.006931 -0.054007 -0.035372 -0.112588 1Rh 5px 0.047740 -0.007978 -0.002667 -0.013606 0.005367 -0.045234 1Rh 5py 0.042837 -0.384154 -0.014790 0.025838 -0.020762 0.008385 1Rh 6pz -0.127908 0.137361 0.054875 0.391254 0.226869 0.316638 1Rh 6px -0.015474 0.039366 0.024923 0.162109 -0.119000 0.135954 1Rh 6py -0.029654 0.253712 -0.022614 -0.179857 0.528476 -0.059774 1Rh 1dz2 -0.001073 0.001733 0.006779 0.008804 0.004481 -0.008326 1Rh 1dxz 0.001322 -0.001148 0.001019 -0.013163 -0.005137 0.009642 1Rh 1dyz 0.000232 0.000295 0.019681 -0.002289 0.004629 -0.001337 1Rh 1dx2y2 0.000588 -0.000523 0.003257 -0.006292 0.002260 0.003930 1Rh 1dxy 0.000172 -0.002605 0.008306 0.004703 -0.013278 -0.003062 1Rh 2dz2 0.000512 -0.000803 -0.003242 -0.003561 -0.001805 0.003139 1Rh 2dxz -0.000879 0.000960 -0.000348 0.005283 0.002104 -0.003917 1Rh 2dyz -0.000169 -0.000100 -0.009107 0.000884 -0.001896 0.000571 1Rh 2dx2y2 -0.000216 -0.000185 -0.001511 0.002520 -0.001029 -0.001601 1Rh 2dxy -0.000098 0.001612 -0.003762 -0.001865 0.005231 0.001241 1Rh 3dz2 0.003346 -0.005511 -0.022180 -0.031087 -0.015881 0.030603 1Rh 3dxz -0.002863 0.001531 -0.003820 0.046692 0.018067 -0.034009 1Rh 3dyz -0.000440 -0.001126 -0.065479 0.008168 -0.016343 0.004607 1Rh 3dx2y2 -0.002173 0.003795 -0.010773 0.022291 -0.007469 -0.013816 1Rh 3dxy -0.000460 0.006287 -0.027972 -0.016843 0.047553 0.010819 1Rh 4dz2 -0.006453 0.010681 0.054583 0.067528 0.034644 -0.066950 1Rh 4dxz 0.003421 0.000279 0.007586 -0.101192 -0.039307 0.072154 1Rh 4dyz 0.000578 0.002219 0.157621 -0.016561 0.036371 -0.010139 1Rh 4dx2y2 0.004945 -0.010730 0.025335 -0.047996 0.016134 0.029308 1Rh 4dxy 0.000874 -0.009517 0.066829 0.037192 -0.103012 -0.023091 1Rh 5dz2 -0.000044 -0.002619 -0.094941 -0.094474 -0.047578 0.087724 1Rh 5dxz 0.017092 -0.031168 -0.006901 0.141656 0.056388 -0.084106 1Rh 5dyz -0.000084 0.007675 -0.261563 0.020896 -0.052347 0.014310 1Rh 5dx2y2 -0.007446 0.033479 -0.039592 0.066389 -0.024152 -0.035597 1Rh 5dxy 0.000108 -0.018656 -0.109757 -0.053873 0.145772 0.027080 1Rh 1f0 0.001992 0.004864 -0.004139 0.015986 -0.010135 -0.013117 1Rh 1f+1 0.000689 0.000876 0.005196 0.007220 0.000668 -0.014436 1Rh 1f-1 -0.005401 0.014386 -0.003995 -0.011041 -0.021085 0.006142 1Rh 1f+2 0.004965 -0.001959 -0.004245 0.016355 -0.002815 -0.000791 1Rh 1f-2 -0.000455 0.006224 0.011689 0.002375 -0.009824 0.002965 1Rh 1f+3 -0.002099 -0.000141 -0.000486 -0.008079 -0.000144 -0.000671 1Rh 1f-3 0.001148 -0.002328 -0.006851 0.001165 0.006826 -0.000091 2C 1s -0.000675 0.001312 0.002051 0.000121 0.000200 -0.000333 2C 2s -0.003852 0.008029 0.005312 0.000388 0.000354 0.000048 2C 3s 0.135898 -0.277351 0.046932 -0.006678 -0.000304 -0.079791 2C 4s -0.683555 1.380575 -0.342307 0.027979 -0.024068 0.428447 2C 5s 0.293313 -0.578528 -0.812363 -0.070773 -0.047991 0.034966 2C 1pz 0.026302 -0.060678 -0.014292 -0.000563 0.001675 -0.002258 2C 1px 0.001208 -0.008121 0.000542 -0.000636 -0.002891 0.002274 2C 1py 0.021059 -0.035110 -0.010887 -0.000434 -0.001039 -0.016882 2C 2pz -0.326512 0.756331 -0.189206 -0.027619 -0.019289 0.214971 2C 2px -0.009317 0.067419 -0.093733 -0.016693 -0.001177 0.023661 2C 2py -0.311660 0.458585 -0.112504 0.040239 -0.052255 0.253330 2C 3pz 0.008665 -0.050328 -0.185914 0.008326 -0.002880 0.035993 2C 3px -0.016830 0.037126 -0.019384 -0.014429 0.003585 0.005539 2C 3py 0.033865 -0.022696 -0.115799 -0.015281 0.004869 0.012790 2C 1dz2 -0.004225 -0.001029 -0.023158 -0.001998 -0.006814 0.021322 2C 1dxz -0.005545 -0.005707 -0.014211 0.007619 0.002765 0.012199 2C 1dyz -0.002786 0.009482 -0.033748 -0.002905 -0.002650 0.010033 2C 1dx2y2 -0.006188 0.002077 0.016713 0.004172 -0.000905 0.001925 2C 1dxy 0.000482 0.007896 -0.004084 -0.000106 0.006596 -0.002686 2C 2dz2 -0.094315 0.172536 -0.033752 0.021453 -0.033860 0.026709 2C 2dxz -0.085879 0.154789 0.047507 0.017665 0.010076 0.010335 2C 2dyz -0.094665 0.198510 -0.077283 -0.017389 -0.007612 0.117208 2C 2dx2y2 0.053794 -0.102327 -0.014961 0.001818 -0.008997 -0.042955 2C 2dxy -0.004036 0.054139 -0.010538 -0.011272 0.020615 -0.005704 2C 1f0 -0.017044 -0.007325 -0.014182 0.017604 -0.027787 0.005697 2C 1f+1 0.024778 -0.012042 -0.028791 -0.014637 0.020981 0.009656 2C 1f-1 -0.016253 0.062150 -0.004473 -0.014534 0.005479 0.017712 2C 1f+2 0.009273 -0.000227 0.027475 -0.007857 0.008893 -0.015313 2C 1f-2 -0.029750 0.025522 -0.003243 0.027060 0.004102 0.000374 2C 1f+3 -0.027424 -0.002834 0.006257 0.027181 -0.016885 0.004005 2C 1f-3 0.011114 -0.030316 -0.024477 -0.001050 -0.009905 0.001379 3C 1s -0.000069 -0.000998 -0.001989 -0.000127 -0.000027 -0.001247 3C 2s -0.001403 -0.004329 -0.005141 -0.000147 -0.000436 -0.001079 3C 3s 0.052317 0.147540 -0.049449 -0.015302 0.011229 -0.073057 3C 4s -0.264696 -0.732137 0.356113 0.076962 -0.056438 0.390678 3C 5s 0.072717 0.392473 0.810293 -0.102554 0.164203 0.125274 3C 1pz 0.003966 0.028750 0.010649 0.001726 0.001186 0.008716 3C 1px 0.001972 0.010634 0.002785 -0.003028 0.002091 -0.001370 3C 1py -0.014788 -0.020158 -0.012365 -0.001027 -0.001196 0.014167 3C 2pz -0.089621 -0.362734 0.072128 -0.011755 -0.040494 0.005269 3C 2px -0.047042 -0.140633 0.117507 -0.004582 -0.032648 0.077805 3C 2py 0.132298 0.317459 -0.206792 -0.043871 -0.015316 -0.246908 3C 3pz 0.006204 0.058337 0.108536 -0.000745 0.020211 0.045376 3C 3px 0.009965 0.001981 0.056982 -0.002112 0.027430 0.006913 3C 3py 0.001583 -0.006660 -0.179657 0.013237 -0.019331 -0.033480 3C 1dz2 0.000822 0.006425 -0.002483 -0.001547 0.002386 0.005235 3C 1dxz 0.000561 0.005298 0.015355 0.005959 -0.000124 0.012917 3C 1dyz 0.000246 -0.000017 -0.026704 -0.001258 -0.007281 -0.017508 3C 1dx2y2 -0.002609 0.009838 -0.025494 0.003215 -0.002103 0.001301 3C 1dxy 0.002176 0.006334 -0.021955 -0.004242 0.007695 -0.006546 3C 2dz2 0.029527 -0.015946 -0.013092 -0.004085 0.007483 -0.061230 3C 2dxz -0.012556 -0.070143 -0.008297 0.015688 -0.006745 -0.002201 3C 2dyz 0.009543 0.087568 -0.092741 -0.011552 -0.015169 -0.067210 3C 2dx2y2 0.066343 0.106728 -0.000562 0.019784 0.022552 -0.031282 3C 2dxy 0.021801 0.097351 -0.006605 -0.018413 0.006716 -0.017815 3C 1f0 0.028048 0.032546 0.011420 0.017081 0.023460 0.001558 3C 1f+1 -0.007393 0.006253 0.020646 -0.014272 -0.012013 0.012222 3C 1f-1 -0.018783 -0.000795 0.000385 -0.006203 -0.022531 0.005361 3C 1f+2 -0.000227 0.018813 -0.004524 -0.005645 -0.015434 -0.019759 3C 1f-2 0.014400 0.013957 -0.025045 -0.001114 0.024588 -0.020579 3C 1f+3 0.018251 0.003519 0.022511 0.026919 0.015961 0.015256 3C 1f-3 -0.000710 -0.008289 -0.024338 0.012361 -0.008090 -0.006259 4C 1s 0.025686 -0.055859 -0.053709 -0.002639 -0.001186 0.002834 4C 2s 0.037992 -0.082496 -0.077950 -0.003962 -0.001824 0.002364 4C 3s -0.180509 0.386702 -0.031155 -0.007369 -0.005036 0.131128 4C 4s -0.270744 0.627225 2.559406 0.158835 0.070098 -0.676009 4C 5s -0.121530 0.206983 -0.124819 0.039889 -0.027890 0.068010 4C 1pz -0.033107 0.080301 0.136161 -0.002600 -0.006986 -0.018371 4C 1px -0.007126 0.016939 0.019917 0.031421 0.042275 0.000007 4C 1py -0.024517 0.052555 0.088542 0.009709 0.011941 -0.007758 4C 2pz -0.656487 1.352494 0.598489 0.121650 0.117928 0.212362 4C 2px -0.165436 0.248759 0.139147 -0.234607 -0.415310 0.059129 4C 2py -0.445327 0.950691 0.424302 -0.006064 -0.091300 -0.005424 4C 3pz 0.004119 -0.029674 -0.781606 -0.016895 -0.010797 0.101467 4C 3px -0.002603 0.002547 -0.169845 0.051623 0.011051 0.018528 4C 3py -0.005313 -0.011815 -0.544075 0.010219 -0.003144 0.076444 4C 1dz2 0.045859 -0.141176 -0.141904 0.010606 0.000370 0.033150 4C 1dxz 0.106668 -0.218922 -0.245348 -0.040844 -0.015535 0.037706 4C 1dyz -0.010038 0.060695 0.046792 -0.013649 0.012000 -0.022477 4C 1dx2y2 -0.147831 0.344733 0.382377 -0.001522 0.023409 -0.001871 4C 1dxy -0.098838 0.152953 0.174500 0.032139 -0.038147 -0.015208 4C 2dz2 0.155784 -0.238121 -0.023267 0.049883 0.072097 -0.107517 4C 2dxz 0.109270 -0.222100 -0.111047 -0.106763 -0.101309 -0.057490 4C 2dyz 0.111565 -0.263008 0.182080 0.003645 0.035465 -0.098261 4C 2dx2y2 -0.162479 0.347851 0.242474 0.018588 -0.010364 -0.038489 4C 2dxy -0.025750 0.064117 0.186628 -0.040521 -0.095226 -0.059421 4C 1f0 0.006753 -0.108837 -0.111968 0.058857 -0.028425 -0.011470 4C 1f+1 0.145784 -0.192900 -0.239000 -0.081761 0.012346 0.001842 4C 1f-1 0.034080 -0.010657 -0.089452 -0.021352 0.052698 0.038398 4C 1f+2 -0.057741 0.181677 0.210388 -0.003746 0.048484 -0.020227 4C 1f-2 -0.030522 -0.024624 -0.023884 0.003106 -0.083503 0.061744 4C 1f+3 -0.055310 0.018519 0.012820 0.080833 -0.040383 -0.062967 4C 1f-3 0.071577 -0.213201 -0.201957 0.033368 0.016868 0.091731 5C 1s 0.011947 0.024710 0.051759 0.003223 0.004251 0.003864 5C 2s 0.017462 0.036722 0.075175 0.004558 0.006091 0.004161 5C 3s -0.075388 -0.190775 0.036786 0.012684 -0.001258 0.115994 5C 4s -0.163904 -0.169550 -2.499959 -0.207182 -0.191422 -0.623827 5C 5s -0.006936 -0.155150 0.119952 0.038490 -0.076576 0.060966 5C 1pz -0.007933 -0.024374 -0.076538 -0.018331 0.004559 -0.008072 5C 1px -0.007167 -0.013397 -0.051661 0.037664 -0.031914 -0.010156 5C 1py 0.018649 0.026844 0.129203 0.016535 0.002447 0.011248 5C 2pz -0.178222 -0.356133 -0.363600 0.115454 -0.130756 0.140330 5C 2px -0.159944 -0.214401 -0.214685 -0.415564 0.207978 0.019608 5C 2py 0.248752 0.711993 0.569694 -0.055705 0.130496 -0.018560 5C 3pz -0.002337 0.011550 0.484657 -0.029332 0.045166 0.067812 5C 3px 0.000102 0.004691 0.273632 0.032976 0.024929 0.049811 5C 3py -0.012703 -0.014283 -0.782517 0.032961 -0.085538 -0.129773 5C 1dz2 0.050189 0.112986 0.213175 0.034471 0.033479 0.049116 5C 1dxz 0.016630 0.098784 0.232702 -0.019131 -0.007673 0.033712 5C 1dyz 0.032775 0.043930 0.129884 -0.000843 0.016670 -0.004238 5C 1dx2y2 -0.078075 -0.126128 -0.342711 -0.034675 -0.021310 -0.013145 5C 1dxy -0.034458 -0.043895 -0.097039 -0.003987 -0.049193 0.008751 5C 2dz2 0.047626 -0.030812 0.191740 0.067195 0.003823 0.002227 5C 2dxz 0.072874 0.101693 0.127077 -0.058856 0.042317 -0.025413 5C 2dyz -0.049961 -0.047057 0.232342 -0.033479 0.037434 0.134815 5C 2dx2y2 -0.062239 -0.239192 -0.148761 -0.085954 0.001677 -0.017994 5C 2dxy -0.020649 -0.126809 0.005685 0.120631 -0.086514 0.045341 5C 1f0 0.064265 0.045842 0.052433 0.018371 0.077780 -0.037233 5C 1f+1 0.005961 0.026833 0.148125 -0.000775 -0.063957 -0.033394 5C 1f-1 -0.025477 -0.015150 -0.015740 -0.050365 -0.017038 -0.021617 5C 1f+2 -0.030590 0.009887 -0.061565 -0.031315 -0.018047 0.030983 5C 1f-2 -0.001898 -0.057462 -0.184724 0.069297 -0.012359 -0.039626 5C 1f+3 0.093132 0.086600 0.197700 0.065489 0.094711 0.034144 5C 1f-3 -0.019913 -0.108895 -0.225082 -0.028178 0.025210 -0.102520 6C 1s -0.012184 -0.024424 0.051706 0.003218 0.004270 -0.003541 6C 2s -0.017816 -0.036287 0.075080 0.004566 0.006112 -0.003669 6C 3s 0.076524 0.189505 0.038203 0.011493 -0.001054 -0.115414 6C 4s 0.168852 0.162656 -2.503198 -0.202261 -0.192594 0.604874 6C 5s 0.007796 0.155603 0.121355 0.038248 -0.077211 -0.058305 6C 1pz -0.008220 -0.023943 0.076467 0.018295 -0.004654 -0.007415 6C 1px -0.007321 -0.013212 0.051890 -0.037734 0.032156 -0.009845 6C 1py 0.019165 0.026096 -0.129180 -0.016458 -0.002361 0.010230 6C 2pz -0.180188 -0.353708 0.361370 -0.113757 0.131207 0.142414 6C 2px -0.161889 -0.213436 0.213569 0.413021 -0.208900 0.015820 6C 2py 0.252374 0.708401 -0.566194 0.054137 -0.131930 -0.021066 6C 3pz -0.001446 0.010096 -0.486310 0.030374 -0.045546 0.069346 6C 3px 0.001597 0.002884 -0.274006 -0.033572 -0.025920 0.039943 6C 3py -0.014632 -0.012054 0.785263 -0.034079 0.086515 -0.128592 6C 1dz2 -0.051198 -0.111843 0.213006 0.034093 0.033608 -0.048010 6C 1dxz -0.017587 -0.097616 0.232630 -0.018736 -0.007303 -0.031628 6C 1dyz -0.033294 -0.043267 0.129782 -0.000795 0.016670 0.005332 6C 1dx2y2 0.079530 0.124377 -0.342588 -0.034475 -0.021276 0.011606 6C 1dxy 0.034952 0.043185 -0.096687 -0.003946 -0.049027 -0.010337 6C 2dz2 -0.048425 0.031609 0.191638 0.066613 0.003663 0.000267 6C 2dxz -0.073181 -0.101047 0.126369 -0.058355 0.042496 0.024211 6C 2dyz 0.050031 0.047515 0.233496 -0.034336 0.037692 -0.134191 6C 2dx2y2 0.063605 0.238268 -0.147592 -0.086044 0.001376 0.014764 6C 2dxy 0.020532 0.126528 0.006850 0.119902 -0.086770 -0.041030 6C 1f0 0.064567 0.045533 -0.052254 -0.018185 -0.077585 -0.036939 6C 1f+1 0.006379 0.026378 -0.148185 0.000533 0.064058 -0.034080 6C 1f-1 -0.025603 -0.015056 0.015782 0.050009 0.016965 -0.022167 6C 1f+2 -0.030634 0.010035 0.061812 0.031102 0.017753 0.029957 6C 1f-2 -0.002428 -0.056754 0.184789 -0.069152 0.012775 -0.037689 6C 1f+3 0.094029 0.085616 -0.197686 -0.064733 -0.094560 0.031855 6C 1f-3 -0.020866 -0.107862 0.225012 0.027907 -0.024477 -0.102284 7C 1s -0.025810 0.055963 -0.053876 -0.002639 -0.001178 -0.003171 7C 2s -0.038174 0.082645 -0.078192 -0.003968 -0.001828 -0.002889 7C 3s 0.181316 -0.388033 -0.030128 -0.007001 -0.004012 -0.130601 7C 4s 0.272377 -0.624523 2.561455 0.157289 0.065442 0.688465 7C 5s 0.122465 -0.210852 -0.124217 0.040794 -0.027273 -0.069020 7C 1pz -0.033368 0.080140 -0.136161 0.002493 0.007099 -0.019277 7C 1px -0.007146 0.016857 -0.019825 -0.031354 -0.042410 0.000100 7C 1py -0.024770 0.052680 -0.089084 -0.009725 -0.011958 -0.008443 7C 2pz -0.658118 1.354477 -0.602290 -0.121515 -0.117999 0.208960 7C 2px -0.161127 0.251492 -0.139006 0.239043 0.411217 0.055554 7C 2py -0.446945 0.957330 -0.426454 0.006439 0.090305 -0.007184 7C 3pz 0.006210 -0.031068 0.781572 0.019719 0.009905 0.104514 7C 3px -0.002986 0.003727 0.169738 -0.052182 -0.011008 0.017263 7C 3py -0.004354 -0.012176 0.546004 -0.008871 0.002747 0.078120 7C 1dz2 -0.046269 0.141885 -0.142532 0.010340 0.000197 -0.034626 7C 1dxz -0.107223 0.218958 -0.245830 -0.040977 -0.015082 -0.038574 7C 1dyz 0.010268 -0.060878 0.047061 -0.013358 0.011917 0.022746 7C 1dx2y2 0.148720 -0.345301 0.383527 -0.001425 0.023420 0.004777 7C 1dxy 0.099067 -0.153304 0.174867 0.031667 -0.038116 0.015658 7C 2dz2 -0.154485 0.239469 -0.025465 0.051333 0.070715 0.105936 7C 2dxz -0.110907 0.221680 -0.112331 -0.107548 -0.100462 0.057524 7C 2dyz -0.111833 0.264628 0.182510 0.003789 0.034753 0.101330 7C 2dx2y2 0.162655 -0.349685 0.242282 0.018235 -0.010047 0.040297 7C 2dxy 0.024619 -0.064946 0.186695 -0.042112 -0.095014 0.058989 7C 1f0 0.007437 -0.109193 0.112265 -0.058516 0.028474 -0.009640 7C 1f+1 0.146045 -0.193082 0.239389 0.081110 -0.012764 0.001608 7C 1f-1 0.034039 -0.010661 0.089530 0.020984 -0.052876 0.038215 7C 1f+2 -0.058371 0.181509 -0.211265 0.003400 -0.048132 -0.022009 7C 1f-2 -0.030397 -0.024679 0.023828 -0.002298 0.083202 0.062291 7C 1f+3 -0.055678 0.018608 -0.012864 -0.081105 0.041007 -0.061233 7C 1f-3 0.071760 -0.213842 0.202596 -0.033173 -0.016907 0.093259 8C 1s 0.000080 0.000979 -0.001993 -0.000119 -0.000033 0.001225 8C 2s 0.001435 0.004287 -0.005133 -0.000138 -0.000448 0.001053 8C 3s -0.052779 -0.147220 -0.050532 -0.014815 0.011430 0.071997 8C 4s 0.266626 0.731290 0.361846 0.074029 -0.057280 -0.384557 8C 5s -0.076759 -0.388283 0.812321 -0.104481 0.166925 -0.125701 8C 1pz 0.004059 0.028613 -0.010515 -0.001722 -0.001267 0.008678 8C 1px 0.002030 0.010540 -0.002650 0.002965 -0.002111 -0.001683 8C 1py -0.014923 -0.020059 0.012239 0.001107 0.001180 0.014061 8C 2pz -0.091169 -0.361847 -0.074597 0.013135 0.042097 0.003772 8C 2px -0.047175 -0.139670 -0.119896 0.005202 0.032399 0.080314 8C 2py 0.133027 0.317285 0.209340 0.042030 0.015830 -0.242607 8C 3pz 0.007050 0.057825 -0.108852 0.000770 -0.020880 0.044481 8C 3px 0.009720 0.001594 -0.057074 0.002563 -0.027186 0.007618 8C 3py 0.000872 -0.006103 0.180474 -0.013557 0.019614 -0.033238 8C 1dz2 -0.000864 -0.006372 -0.002541 -0.001540 0.002433 -0.005097 8C 1dxz -0.000622 -0.005362 0.015400 0.005947 0.000027 -0.013070 8C 1dyz -0.000153 -0.000086 -0.026791 -0.001150 -0.007386 0.017028 8C 1dx2y2 0.002572 -0.009834 -0.025590 0.003309 -0.002003 -0.001574 8C 1dxy -0.002177 -0.006453 -0.022074 -0.004144 0.007720 0.006730 8C 2dz2 -0.029609 0.016045 -0.013576 -0.003629 0.007324 0.061548 8C 2dxz 0.012639 0.069686 -0.008422 0.015579 -0.006507 0.001085 8C 2dyz -0.009291 -0.087693 -0.093611 -0.011127 -0.015584 0.064894 8C 2dx2y2 -0.066736 -0.105772 -0.001903 0.019881 0.022727 0.030027 8C 2dxy -0.022876 -0.097572 -0.006882 -0.017553 0.007521 0.019368 8C 1f0 0.028283 0.032368 -0.011307 -0.017026 -0.023558 0.001467 8C 1f+1 -0.007268 0.006102 -0.020528 0.014272 0.011843 0.011677 8C 1f-1 -0.018862 -0.000773 -0.000433 0.006164 0.022570 0.005735 8C 1f+2 -0.000246 0.018771 0.004656 0.005545 0.015411 -0.018772 8C 1f-2 0.014445 0.014127 0.025249 0.001084 -0.024557 -0.020867 8C 1f+3 0.018382 0.003519 -0.022632 -0.026652 -0.016084 0.015780 8C 1f-3 -0.000729 -0.008178 0.024432 -0.012377 0.008075 -0.005151 9C 1s 0.000679 -0.001327 0.002060 0.000123 0.000193 0.000383 9C 2s 0.003867 -0.008066 0.005340 0.000393 0.000351 0.000027 9C 3s -0.136079 0.278574 0.046233 -0.006760 -0.001065 0.080132 9C 4s 0.684028 -1.386907 -0.338943 0.027887 -0.020068 -0.431612 9C 5s -0.295987 0.585168 -0.815745 -0.075222 -0.048967 -0.039725 9C 1pz 0.026349 -0.060856 0.014442 0.000580 -0.001605 -0.002095 9C 1px 0.001191 -0.007970 -0.000602 0.000704 0.002852 0.002202 9C 1py 0.021113 -0.035269 0.010975 0.000323 0.001059 -0.016724 9C 2pz -0.326738 0.761207 0.186300 0.028043 0.017139 0.213843 9C 2px -0.007386 0.066519 0.094421 0.017717 0.000081 0.024905 9C 2py -0.311871 0.460099 0.113105 -0.039694 0.051926 0.254150 9C 3pz 0.009736 -0.052024 0.185997 -0.007400 0.002804 0.036458 9C 3px -0.017577 0.037026 0.018468 0.013855 -0.003306 0.005373 9C 3py 0.033750 -0.022165 0.116802 0.015738 -0.005359 0.013817 9C 1dz2 0.004304 0.001085 -0.023010 -0.001930 -0.006805 -0.021291 9C 1dxz 0.005368 0.005583 -0.014101 0.007459 0.002888 -0.012214 9C 1dyz 0.002895 -0.009586 -0.033833 -0.002827 -0.002624 -0.010368 9C 1dx2y2 0.006354 -0.001881 0.016852 0.004255 -0.001025 -0.001943 9C 1dxy -0.000639 -0.008005 -0.004135 -0.000242 0.006686 0.002594 9C 2dz2 0.092878 -0.170709 -0.034369 0.021361 -0.033422 -0.026261 9C 2dxz 0.085855 -0.154358 0.048373 0.018222 0.009731 -0.009380 9C 2dyz 0.096086 -0.201219 -0.076436 -0.017138 -0.007341 -0.117569 9C 2dx2y2 -0.053364 0.105406 -0.015808 0.003220 -0.010113 0.041355 9C 2dxy 0.004347 -0.055269 -0.009982 -0.011111 0.020540 0.005878 9C 1f0 -0.017096 -0.008183 0.014287 -0.017961 0.027876 0.006080 9C 1f+1 0.025116 -0.012038 0.028850 0.014905 -0.021130 0.009710 9C 1f-1 -0.016351 0.062267 0.004313 0.014395 -0.005499 0.017471 9C 1f+2 0.009743 -0.001000 -0.027541 0.008021 -0.008659 -0.015968 9C 1f-2 -0.029169 0.025372 0.003207 -0.026692 -0.004511 0.000919 9C 1f+3 -0.027586 -0.002473 -0.006376 -0.027221 0.016816 0.004131 9C 1f-3 0.010954 -0.030554 0.024551 0.000876 0.010131 0.001686 10H 1s -0.011479 0.027505 0.028401 -0.001721 0.005448 -0.002680 10H 2s -0.054913 0.084548 0.061712 0.011583 0.005775 0.004190 10H 3s -0.023018 0.040535 0.018360 0.018321 0.008825 0.012318 10H 1pz 0.003691 -0.017815 -0.004347 0.003045 -0.000815 0.003484 10H 1px 0.015161 -0.032020 -0.025261 0.001407 -0.004341 0.000384 10H 1py -0.000555 -0.011425 -0.002483 0.004924 -0.003430 -0.000105 11H 1s 0.023078 -0.022258 -0.012110 -0.013042 0.000370 -0.004987 11H 2s 0.087227 -0.048854 -0.043327 -0.051794 0.027890 -0.023741 11H 3s -0.092347 0.126465 0.060431 0.028949 0.005046 0.017337 11H 1pz 0.018492 -0.007317 0.004252 -0.008137 0.004573 -0.020286 11H 1px 0.027094 -0.022915 -0.013503 -0.014998 0.005124 -0.004161 11H 1py -0.016406 0.004484 0.010672 0.016225 -0.006918 -0.005525 12H 1s -0.006957 -0.016208 0.001121 0.006929 -0.014789 0.007525 12H 2s -0.039595 -0.037367 -0.011312 0.038222 -0.040167 0.038246 12H 3s -0.034991 0.121955 0.053956 -0.005144 0.022658 -0.002531 12H 1pz 0.016963 -0.006821 0.001722 -0.014096 0.014702 0.002140 12H 1px 0.003189 -0.024666 -0.011271 0.003939 -0.007964 0.005710 12H 1py -0.011683 -0.018904 0.003323 0.011120 -0.013462 0.014946 13H 1s -0.001766 -0.011409 -0.024620 0.002128 0.001718 -0.016262 13H 2s -0.013483 -0.069362 -0.058305 0.000359 -0.006656 -0.062152 13H 3s -0.009441 -0.030772 -0.020627 0.014807 -0.023150 0.020921 13H 1pz -0.002154 -0.012073 -0.011874 -0.002442 -0.002742 -0.017008 13H 1px -0.000805 0.014086 0.018208 -0.004741 -0.004979 0.013141 13H 1py -0.002256 -0.003917 -0.008230 0.002611 0.003279 0.008653 14H 1s -0.008074 -0.005482 -0.005088 -0.014477 -0.007266 -0.012069 14H 2s -0.012007 -0.051040 0.003203 -0.032225 -0.030680 -0.048366 14H 3s -0.002339 -0.045447 -0.052249 0.026174 0.002631 0.004424 14H 1pz 0.000527 -0.014441 -0.008666 -0.005633 -0.003335 -0.020818 14H 1px -0.002714 -0.007744 0.006094 -0.013766 -0.009350 -0.014987 14H 1py -0.017776 -0.008976 -0.004482 -0.011669 -0.013696 0.005196 15H 1s 0.008857 0.025894 0.014401 0.001620 0.010311 0.010884 15H 2s 0.046764 0.076163 0.041645 0.030810 0.046253 0.037430 15H 3s -0.025412 -0.119942 -0.061390 0.005271 -0.027675 -0.032606 15H 1pz -0.016906 -0.016904 -0.018085 -0.008648 -0.016191 -0.005285 15H 1px 0.002596 0.011386 0.003423 0.000428 0.002227 0.004340 15H 1py -0.007847 -0.027959 0.002624 -0.004767 -0.011582 -0.010399 16H 1s 0.012008 -0.045565 0.012984 -0.010862 0.015859 0.011446 16H 2s 0.006189 -0.059977 0.020240 -0.022736 0.097654 -0.084785 16H 3s 0.001131 0.005282 -0.009710 -0.011710 -0.018997 -0.002231 16H 1pz 0.010175 -0.060554 0.015494 -0.027217 0.047134 -0.047144 16H 1px 0.008461 -0.019751 -0.012218 0.029020 0.027175 0.086535 16H 1py 0.005351 -0.013048 -0.002330 0.020706 0.001844 0.085325 17H 1s -0.005285 -0.028974 -0.007821 0.002599 0.018332 -0.026107 17H 2s 0.010660 -0.056844 -0.015854 -0.018483 0.092163 0.021382 17H 3s 0.001661 0.003807 0.007552 0.019266 -0.011870 0.001553 17H 1pz 0.001549 0.042675 0.002601 0.017590 -0.049514 0.068017 17H 1px -0.006802 0.029256 0.014898 -0.033634 -0.022766 -0.095995 17H 1py -0.003650 -0.008833 0.005593 -0.019915 0.002152 -0.067050 18H 1s 0.005646 0.028370 -0.007120 0.002041 0.018621 0.025028 18H 2s -0.011757 0.057120 -0.015209 -0.019806 0.091716 -0.017108 18H 3s -0.001803 -0.003726 0.007038 0.019913 -0.011321 -0.002226 18H 1pz 0.001548 0.042608 -0.002619 -0.018456 0.049329 0.068461 18H 1px -0.007295 0.029505 -0.013836 0.032685 0.023743 -0.092704 18H 1py -0.003946 -0.007262 -0.006289 0.019596 -0.000386 -0.064370 19H 1s -0.011779 0.045969 0.013548 -0.011418 0.015941 -0.010886 19H 2s -0.007386 0.060165 0.020479 -0.023681 0.097537 0.085639 19H 3s -0.001144 -0.005078 -0.010099 -0.010913 -0.019350 0.002248 19H 1pz 0.010405 -0.060558 -0.015875 0.028045 -0.046808 -0.049022 19H 1px 0.008161 -0.019270 0.012619 -0.028039 -0.027763 0.083524 19H 1py 0.005557 -0.014734 0.001284 -0.019701 -0.004141 0.082724 20H 1s -0.009072 -0.025692 0.014222 0.001541 0.010616 -0.010781 20H 2s -0.047571 -0.075909 0.040947 0.031178 0.047401 -0.036324 20H 3s 0.026210 0.119273 -0.061280 0.005411 -0.028450 0.032471 20H 1pz -0.017217 -0.016812 0.017882 0.008728 0.016591 -0.005056 20H 1px 0.002819 0.011656 -0.003632 -0.000529 -0.002448 0.004418 20H 1py -0.007973 -0.027854 -0.002852 0.004833 0.011848 -0.010230 21H 1s 0.008043 0.005258 -0.004718 -0.014401 -0.007272 0.011885 21H 2s 0.012617 0.050367 0.004094 -0.032209 -0.031473 0.047764 21H 3s 0.002692 0.045189 -0.052613 0.026343 0.002436 -0.003564 21H 1pz 0.000300 -0.014440 0.008605 0.005763 0.003660 -0.020691 21H 1px -0.002771 -0.007508 -0.006368 0.013710 0.009466 -0.014693 21H 1py -0.017801 -0.008759 0.004129 0.011640 0.013675 0.005101 22H 1s 0.002045 0.011367 -0.024795 0.001990 0.001494 0.015639 22H 2s 0.014194 0.068845 -0.058793 0.000319 -0.007175 0.061934 22H 3s 0.009340 0.030481 -0.020386 0.015172 -0.023192 -0.020710 22H 1pz -0.002295 -0.011751 0.011759 0.002422 0.002861 -0.016659 22H 1px -0.000468 0.014173 -0.018520 0.004545 0.004712 0.012967 22H 1py -0.002347 -0.003887 0.008054 -0.002484 -0.003169 0.008872 23H 1s 0.006553 0.017162 0.000538 0.006709 -0.014846 -0.007721 23H 2s 0.039451 0.040145 -0.012622 0.039052 -0.041165 -0.038402 23H 3s 0.035721 -0.124410 0.054923 -0.004543 0.023449 0.003117 23H 1pz 0.016566 -0.006036 -0.002358 0.013995 -0.014763 0.001799 23H 1px 0.003420 -0.024815 0.011438 -0.003832 0.007816 0.005646 23H 1py -0.011712 -0.019930 -0.003010 -0.011370 0.013894 0.014882 24H 1s -0.023030 0.021722 -0.011867 -0.013273 0.000469 0.005119 24H 2s -0.086672 0.046082 -0.043040 -0.052049 0.028334 0.024339 24H 3s 0.092247 -0.126284 0.061204 0.029507 0.004974 -0.016005 24H 1pz 0.018216 -0.006823 -0.004206 0.007996 -0.004487 -0.020480 24H 1px 0.027503 -0.022778 0.013778 0.015438 -0.005311 -0.004239 24H 1py -0.015978 0.003250 -0.010073 -0.016346 0.007102 -0.005242 25H 1s 0.011720 -0.027806 0.028759 -0.001610 0.005224 0.003389 25H 2s 0.054823 -0.086426 0.062960 0.011292 0.005779 -0.001226 25H 3s 0.022688 -0.040645 0.018123 0.018412 0.009250 -0.012601 25H 1pz 0.003843 -0.017114 0.004001 -0.002699 0.000595 0.002869 25H 1px 0.015419 -0.032371 0.025601 -0.001176 0.004038 0.001280 25H 1py 0.000045 -0.012067 0.003087 -0.004699 0.003379 -0.000269 26O 1s 0.002297 -0.004704 -0.003819 -0.001464 -0.001318 -0.000093 26O 2s 0.010163 -0.021065 -0.018850 -0.003634 -0.002347 0.000399 26O 3s -0.177549 0.370238 0.366586 0.024412 -0.007156 -0.025443 26O 4s 0.525616 -1.085849 -1.131852 0.027455 0.160408 0.092476 26O 5s 0.130768 -0.205387 -0.044159 -0.035542 0.009227 0.147991 26O 1pz -0.006593 -0.003031 -0.030588 0.018141 0.021446 0.004305 26O 1px 0.032172 -0.075809 -0.101770 -0.007106 -0.004301 0.011098 26O 1py 0.025308 -0.026359 -0.056960 0.000398 0.016192 -0.007731 26O 2pz -0.017926 0.055696 0.132736 -0.040832 -0.066809 -0.021059 26O 2px -0.322807 0.679132 0.808287 -0.018398 -0.090349 -0.110656 26O 2py -0.158239 0.284048 0.384529 -0.027420 -0.074088 0.008675 26O 3pz -0.014648 0.001918 0.047574 0.114112 -0.019777 0.023244 26O 3px -0.106309 0.179765 0.133104 -0.003310 -0.166456 0.025283 26O 3py 0.006897 0.057545 0.071733 -0.081551 0.042120 0.059360 26O 1dz2 0.298378 0.142903 0.039888 -0.381120 0.175676 -0.122120 26O 1dxz 0.083740 -0.030695 -0.066461 -0.051433 0.028628 -0.042914 26O 1dyz -0.102569 -0.275605 -0.074737 0.169201 -0.207567 0.118011 26O 1dx2y2 0.157201 -0.033978 -0.068711 -0.102064 0.139289 -0.036312 26O 1dxy 0.201546 -0.099249 -0.127034 -0.134613 0.129560 -0.036000 26O 2dz2 -0.256700 0.099601 0.188324 0.223183 -0.128676 0.066235 26O 2dxz -0.009268 -0.034693 -0.009517 0.002096 -0.008443 0.054649 26O 2dyz 0.068566 0.149063 0.045341 -0.114795 0.124135 -0.067179 26O 2dx2y2 0.024107 -0.190747 -0.202714 0.045744 -0.033485 0.078166 26O 2dxy -0.024836 -0.170027 -0.170744 0.110286 -0.080284 0.018800 26O 1f0 0.060398 -0.073990 -0.087432 -0.046605 -0.002623 0.015492 26O 1f+1 0.129163 -0.185671 -0.190295 -0.035704 0.017618 -0.033943 26O 1f-1 0.060713 -0.126874 -0.091286 -0.002277 -0.019310 -0.037401 26O 1f+2 -0.059593 0.142272 0.108931 0.033030 0.011073 -0.055263 26O 1f-2 -0.030287 -0.004822 0.050213 0.052145 -0.006185 0.013089 26O 1f+3 0.056538 -0.056611 -0.045408 -0.041494 0.055486 0.080909 26O 1f-3 0.068298 -0.260853 -0.248568 0.027968 -0.050982 0.010890 27O 1s 0.001092 0.002154 0.003981 -0.001367 0.001575 -0.000643 27O 2s 0.004907 0.009456 0.018997 -0.001900 0.004206 -0.000982 27O 3s -0.086904 -0.163283 -0.360351 -0.025625 -0.036090 -0.014817 27O 4s 0.258654 0.479813 1.092960 0.224940 0.015283 0.076029 27O 5s 0.062881 0.068257 -0.006628 0.066018 0.032069 0.168488 27O 1pz 0.014222 -0.005501 0.004497 0.020890 -0.004967 0.011515 27O 1px 0.021376 0.034034 0.109033 0.012892 0.008162 0.016734 27O 1py 0.007827 -0.006357 -0.040596 -0.025102 0.017562 -0.001896 27O 2pz -0.020153 0.028984 0.020120 -0.038134 0.019073 -0.040376 27O 2px -0.178122 -0.311132 -0.830814 -0.190810 0.002852 -0.144708 27O 2py 0.015616 0.069940 0.216652 0.103266 -0.037138 0.015120 27O 3pz 0.084261 -0.034666 -0.039212 0.122572 0.084090 0.013742 27O 3px -0.031856 -0.086011 -0.160010 -0.104971 0.059807 0.039665 27O 3py 0.048050 -0.021855 0.094930 -0.000139 0.100763 -0.075342 27O 1dz2 -0.277895 -0.257101 -0.062965 -0.281703 -0.367445 -0.147865 27O 1dxz -0.018267 0.019105 0.013917 -0.017315 0.018307 -0.013436 27O 1dyz 0.069619 0.011349 -0.065597 0.161843 0.106530 0.050880 27O 1dx2y2 -0.122820 -0.069247 0.096624 -0.057935 -0.248956 -0.059100 27O 1dxy 0.009604 -0.014794 -0.111059 0.061236 0.064425 0.021178 27O 2dz2 0.119006 0.075779 -0.149809 0.139383 0.225792 0.067551 27O 2dxz -0.022320 -0.022412 -0.053629 -0.029784 -0.036532 0.032523 27O 2dyz -0.029062 0.000423 0.067881 -0.085264 -0.059338 -0.038708 27O 2dx2y2 0.126417 0.168558 0.264055 0.093301 0.135824 0.099265 27O 2dxy -0.052632 -0.041928 -0.050886 -0.063784 -0.077591 -0.001270 27O 1f0 -0.036370 -0.003070 0.003961 -0.030634 -0.024716 0.041897 27O 1f+1 0.011951 0.043785 0.195026 -0.027483 -0.028671 -0.018036 27O 1f-1 -0.006536 -0.015312 -0.046865 0.001291 -0.017289 0.018822 27O 1f+2 0.028778 -0.017661 -0.013323 0.050010 0.028138 -0.026441 27O 1f-2 -0.032281 -0.027322 -0.053785 -0.008324 -0.015643 0.034432 27O 1f+3 0.039642 0.130606 0.195873 0.016636 0.003722 0.084743 27O 1f-3 -0.086726 -0.102349 -0.208904 -0.017660 -0.095584 0.013685 28O 1s 0.002042 -0.004579 -0.004333 0.001031 0.001411 -0.000868 28O 2s 0.009212 -0.020625 -0.020188 0.001586 0.002334 -0.001935 28O 3s -0.163813 0.365650 0.376037 0.015318 0.013719 0.001383 28O 4s 0.486865 -1.082503 -1.125641 -0.154588 -0.179897 0.018967 28O 5s 0.089450 -0.195303 0.015978 -0.046976 -0.007689 0.142462 28O 1pz 0.029934 -0.045617 -0.085995 -0.024080 -0.023267 0.016142 28O 1px -0.022397 0.065608 0.079302 -0.005907 -0.004025 -0.001662 28O 1py -0.011869 -0.010823 -0.022276 -0.007928 -0.021391 -0.002528 28O 2pz -0.224519 0.462065 0.582016 0.128954 0.147119 -0.095551 28O 2px 0.246691 -0.577108 -0.645779 -0.077733 -0.091171 0.054554 28O 2py -0.004442 0.074172 0.109484 0.042112 0.056454 0.014202 28O 3pz -0.004728 0.109745 0.146239 -0.059374 0.058614 0.045276 28O 3px 0.098740 -0.154546 -0.092914 -0.129006 -0.072353 -0.018019 28O 3py -0.053731 -0.050176 0.062900 0.064764 -0.109786 0.043496 28O 1dz2 -0.142480 -0.153778 -0.075360 0.250823 -0.143443 -0.125361 28O 1dxz -0.210140 0.100816 0.119288 0.255643 -0.086329 -0.110822 28O 1dyz 0.168401 -0.172112 -0.092278 -0.054788 0.120149 0.056735 28O 1dx2y2 -0.176381 -0.119684 -0.054585 0.261104 -0.255916 -0.124797 28O 1dxy 0.086487 -0.024491 0.012020 -0.081943 0.098008 0.056308 28O 2dz2 0.076674 0.048188 0.022764 -0.124240 0.080562 0.101573 28O 2dxz -0.012445 0.249951 0.267606 -0.119805 0.106937 0.030314 28O 2dyz -0.072899 0.086418 0.039380 0.017887 -0.050106 -0.056400 28O 2dx2y2 0.187728 -0.112915 -0.176624 -0.199211 0.120877 0.101780 28O 2dxy -0.090428 0.050198 0.044588 0.081265 -0.082240 -0.014551 28O 1f0 0.039768 -0.095684 -0.096307 0.000503 -0.019387 -0.058537 28O 1f+1 0.055029 -0.226738 -0.220702 0.054458 -0.009224 0.030303 28O 1f-1 0.028276 -0.073484 -0.001399 0.000161 -0.004181 0.020092 28O 1f+2 -0.119747 0.255106 0.240956 0.007404 0.008850 -0.022044 28O 1f-2 0.062680 -0.049229 -0.082980 -0.031452 0.053372 -0.048659 28O 1f+3 -0.052909 0.071752 0.075816 0.047113 -0.006913 -0.050345 28O 1f-3 0.087578 -0.084805 -0.096772 -0.047521 0.052701 -0.008330 29O 1s -0.000141 0.001512 -0.000050 0.000167 -0.000453 0.000276 29O 2s -0.000492 0.005194 -0.000195 0.000616 -0.001876 0.001061 29O 3s 0.007214 -0.073830 0.003252 -0.009920 0.034569 -0.017412 29O 4s -0.014777 0.169002 -0.007734 0.022773 -0.070712 0.043300 29O 5s -0.014762 0.016247 -0.000627 0.016932 -0.145870 0.016183 29O 1pz -0.004704 0.008922 -0.004100 0.007420 -0.001787 -0.008063 29O 1px -0.001575 -0.005055 -0.000719 0.000283 0.008508 -0.007348 29O 1py -0.001335 0.016541 -0.000393 -0.000135 -0.003009 0.006731 29O 2pz 0.017316 -0.042230 0.022874 -0.032301 0.016776 0.022139 29O 2px 0.002223 0.039736 0.004223 0.001276 -0.050360 0.031442 29O 2py 0.007360 -0.080342 0.001976 -0.005566 0.039458 -0.033232 29O 3pz -0.000517 -0.005818 0.011945 0.028314 0.017308 -0.126103 29O 3px 0.000261 0.006169 0.007732 0.013226 0.015603 -0.027287 29O 3py 0.006336 -0.025804 -0.003018 -0.025799 0.098969 0.003894 29O 1dz2 0.002955 0.063630 -0.029218 0.074040 -0.048536 0.304452 29O 1dxz -0.026779 0.077426 0.054676 -0.099521 -0.063893 -0.413721 29O 1dyz -0.017532 -0.005380 0.056353 -0.109736 0.013457 -0.447569 29O 1dx2y2 -0.008872 0.026333 0.032746 -0.046294 -0.022957 -0.183720 29O 1dxy -0.004981 0.036039 0.022275 -0.013021 -0.056242 -0.001491 29O 2dz2 -0.006677 -0.018435 0.011739 -0.045643 0.021395 -0.212368 29O 2dxz 0.018119 -0.038723 -0.032196 0.068431 0.035782 0.289353 29O 2dyz 0.006031 0.013874 -0.046653 0.083566 -0.013841 0.307719 29O 2dx2y2 0.006823 -0.022667 -0.019634 0.030905 0.019671 0.126183 29O 2dxy 0.003531 -0.042579 -0.017279 0.007513 0.058251 -0.005668 29O 1f0 0.003734 -0.027947 -0.000358 0.010714 0.017423 0.038285 29O 1f+1 -0.007473 0.015692 0.005649 -0.018447 -0.007466 -0.074972 29O 1f-1 0.008504 -0.032372 0.010810 -0.002881 0.015078 0.013923 29O 1f+2 0.003176 0.012059 -0.015966 0.039398 -0.009801 0.117545 29O 1f-2 -0.008171 -0.002519 -0.006384 -0.014295 0.002388 -0.050380 29O 1f+3 -0.004288 0.026829 0.009508 -0.010520 -0.029468 -0.035494 29O 1f-3 0.004305 0.009127 0.001502 0.011730 -0.003599 0.045969 30O 1s 0.000897 0.002148 0.003911 0.001610 -0.000727 -0.000145 30O 2s 0.004072 0.009585 0.018741 0.003573 -0.000371 0.000280 30O 3s -0.072280 -0.167814 -0.357216 -0.013060 -0.032647 -0.024771 30O 4s 0.211884 0.500517 1.087763 -0.100896 0.197925 0.095504 30O 5s 0.008628 0.108486 0.010960 0.017144 -0.003258 0.114689 30O 1pz -0.003855 0.007740 0.063326 -0.012494 0.008886 0.011631 30O 1px -0.013350 -0.029267 -0.065564 -0.018034 0.004703 -0.005011 30O 1py -0.013388 -0.025075 -0.072993 0.014479 -0.024111 -0.001058 30O 2pz -0.051699 -0.143795 -0.442248 0.065678 -0.090409 -0.082619 30O 2px 0.105767 0.244972 0.568108 -0.016077 0.073024 0.069897 30O 2py 0.077332 0.192187 0.481799 -0.085239 0.111008 0.035187 30O 3pz -0.035389 -0.099807 -0.078064 -0.057086 -0.157474 0.037454 30O 3px 0.015255 0.067096 0.074846 -0.114850 0.076550 -0.026603 30O 3py 0.001821 -0.031614 0.089840 -0.028483 -0.020586 -0.081737 30O 1dz2 0.187872 -0.019573 -0.034013 0.139628 0.205690 -0.126239 30O 1dxz 0.229640 -0.051857 -0.092182 0.233215 0.221729 -0.124509 30O 1dyz -0.204762 -0.105318 -0.128500 -0.145341 -0.145612 0.038551 30O 1dx2y2 0.194060 -0.014484 -0.043250 0.108940 0.245115 -0.083753 30O 1dxy 0.116100 -0.000425 0.058804 0.023101 0.175155 -0.073080 30O 2dz2 -0.102696 0.007242 -0.031468 -0.057116 -0.105420 0.100791 30O 2dxz -0.187418 -0.073990 -0.182357 -0.140019 -0.198421 0.040739 30O 2dyz 0.088602 -0.010708 -0.068933 0.084996 0.067140 -0.051797 30O 2dx2y2 -0.090159 0.047024 0.118641 -0.079199 -0.114420 0.068056 30O 2dxy -0.031928 0.095886 0.218486 -0.043502 -0.089405 0.054987 30O 1f0 0.042692 0.019645 0.117971 0.017772 0.028035 -0.037333 30O 1f+1 0.057226 0.059479 0.070127 0.056618 0.061085 0.037379 30O 1f-1 -0.009753 0.027767 0.022501 0.020288 0.016810 0.057970 30O 1f+2 -0.055779 -0.041449 -0.045800 -0.013637 -0.054313 0.004316 30O 1f-2 -0.051809 -0.122954 -0.243297 -0.035313 -0.008702 -0.015548 30O 1f+3 0.026300 0.042329 0.126483 0.026619 -0.028266 -0.035077 30O 1f-3 0.002715 -0.089376 -0.168305 0.027474 0.027027 -0.032197 31O 1s -0.000923 -0.002122 0.003898 0.001609 -0.000711 0.000175 31O 2s -0.004176 -0.009470 0.018694 0.003576 -0.000319 -0.000115 31O 3s 0.073962 0.165825 -0.356618 -0.013105 -0.033366 0.021746 31O 4s -0.216385 -0.494857 1.086107 -0.100654 0.200002 -0.086725 31O 5s -0.008250 -0.108507 0.010785 0.017740 -0.002705 -0.120183 31O 1pz -0.003539 0.007372 -0.063297 0.012489 -0.008774 0.010741 31O 1px -0.013647 -0.028846 0.065467 0.018100 -0.004729 -0.004546 31O 1py -0.013551 -0.024721 0.072996 -0.014256 0.023932 -0.000004 31O 2pz -0.053494 -0.141596 0.442066 -0.065777 0.090511 -0.079224 31O 2px 0.107869 0.242008 -0.567585 0.015918 -0.073478 0.066403 31O 2py 0.078603 0.189943 -0.481549 0.084474 -0.110837 0.031560 31O 3pz -0.035699 -0.099329 0.076752 0.057889 0.157891 0.043524 31O 3px 0.015117 0.067119 -0.074026 0.113845 -0.076900 -0.027710 31O 3py 0.002318 -0.031911 -0.088262 0.027069 0.020162 -0.091481 31O 1dz2 -0.187691 0.019437 -0.033866 0.138774 0.204553 0.123210 31O 1dxz -0.229518 0.051155 -0.091970 0.232207 0.220340 0.122640 31O 1dyz 0.205494 0.104847 -0.128532 -0.144866 -0.145552 -0.037989 31O 1dx2y2 -0.194112 0.014159 -0.042973 0.108622 0.244189 0.087181 31O 1dxy -0.116359 0.000716 0.058831 0.022328 0.174525 0.071718 31O 2dz2 0.102633 -0.007385 -0.031448 -0.056871 -0.104647 -0.099503 31O 2dxz 0.188322 0.073186 -0.182328 -0.139240 -0.197724 -0.041486 31O 2dyz -0.088382 0.010216 -0.068784 0.084714 0.066852 0.050634 31O 2dx2y2 0.089866 -0.046405 0.118449 -0.079063 -0.113839 -0.068773 31O 2dxy 0.031238 -0.094824 0.218184 -0.042741 -0.088897 -0.052317 31O 1f0 0.043126 0.018965 -0.117846 -0.017861 -0.027665 -0.038670 31O 1f+1 0.057789 0.059035 -0.070076 -0.056128 -0.061114 0.037109 31O 1f-1 -0.009351 0.027495 -0.022456 -0.019933 -0.017018 0.057459 31O 1f+2 -0.056044 -0.041210 0.045756 0.013270 0.054214 0.004336 31O 1f-2 -0.052988 -0.121487 0.242880 0.035419 0.008696 -0.013782 31O 1f+3 0.026778 0.041649 -0.126208 -0.027048 0.028418 -0.035422 31O 1f-3 0.002074 -0.088468 0.168019 -0.027267 -0.026727 -0.030854 32O 1s 0.000137 -0.001507 -0.000072 0.000180 -0.000464 -0.000254 32O 2s 0.000480 -0.005180 -0.000269 0.000668 -0.001911 -0.001019 32O 3s -0.007143 0.073701 0.004295 -0.010735 0.035024 0.017336 32O 4s 0.014637 -0.168745 -0.010083 0.024511 -0.072006 -0.043342 32O 5s 0.016429 -0.016823 -0.000597 0.018307 -0.143890 -0.020585 32O 1pz -0.004677 0.008738 0.004113 -0.007483 0.001584 -0.007841 32O 1px -0.001668 -0.005032 0.000601 0.000002 -0.008555 -0.007336 32O 1py -0.001394 0.016618 0.000644 -0.000071 0.003028 0.006349 32O 2pz 0.017235 -0.040947 -0.023011 0.032473 -0.015282 0.021231 32O 2px 0.002265 0.039983 -0.003473 -0.002575 0.050884 0.031820 32O 2py 0.007827 -0.080810 -0.003369 0.006862 -0.039664 -0.032648 32O 3pz -0.000424 -0.005455 -0.011330 -0.029269 -0.016059 -0.121856 32O 3px 0.000161 0.006366 -0.008425 -0.012846 -0.014740 -0.025713 32O 3py 0.007243 -0.026180 0.002652 0.026538 -0.098731 -0.001981 32O 1dz2 -0.003193 -0.064171 -0.029856 0.076507 -0.047228 -0.312061 32O 1dxz 0.026502 -0.076176 0.053460 -0.096141 -0.066127 0.400939 32O 1dyz 0.018257 0.000977 0.053944 -0.106462 0.006741 0.431373 32O 1dx2y2 0.009742 -0.027254 0.030793 -0.041932 -0.023211 0.165851 32O 1dxy 0.004638 -0.036991 0.026925 -0.014477 -0.058172 0.010307 32O 2dz2 0.006702 0.018908 0.012058 -0.047388 0.020468 0.216925 32O 2dxz -0.017998 0.037879 -0.031590 0.066236 0.036892 -0.280746 32O 2dyz -0.006284 -0.012012 -0.045284 0.081539 -0.009479 -0.296748 32O 2dx2y2 -0.007522 0.023277 -0.018063 0.027690 0.019731 -0.113765 32O 2dxy -0.003489 0.043037 -0.019758 0.008074 0.059590 -0.000171 32O 1f0 0.002961 -0.025841 0.000066 -0.009915 -0.017190 0.035523 32O 1f+1 -0.007110 0.016505 -0.005102 0.017138 0.008648 -0.070938 32O 1f-1 0.008756 -0.033757 -0.010880 0.001640 -0.015919 0.018577 32O 1f+2 0.003385 0.013025 0.016184 -0.039802 0.009179 0.116758 32O 1f-2 -0.008372 -0.002002 0.006166 0.014055 -0.002354 -0.048972 32O 1f+3 -0.004806 0.026632 -0.009282 0.010220 0.029787 -0.035703 32O 1f-3 0.004323 0.008921 -0.002149 -0.010218 0.003753 0.040315 33O 1s -0.002067 0.004579 -0.004345 0.001024 0.001412 0.000851 33O 2s -0.009309 0.020628 -0.020244 0.001557 0.002347 0.001848 33O 3s 0.165324 -0.365812 0.377117 0.015772 0.013286 0.000327 33O 4s -0.491444 1.083051 -1.128905 -0.156159 -0.178263 -0.024044 33O 5s -0.090950 0.194753 0.014708 -0.047448 -0.004843 -0.141647 33O 1pz 0.030110 -0.045525 0.086028 0.024356 0.023062 0.016906 33O 1px -0.022809 0.065601 -0.079562 0.005729 0.004195 -0.002268 33O 1py -0.011780 -0.010997 0.022493 0.007842 0.021345 -0.002279 33O 2pz -0.226105 0.461579 -0.582745 -0.130252 -0.145564 -0.099762 33O 2px 0.249505 -0.577587 0.648095 0.078808 0.089821 0.058168 33O 2py -0.005175 0.075233 -0.110822 -0.041984 -0.056293 0.013357 33O 3pz -0.003994 0.108608 -0.145590 0.060592 -0.058606 0.045155 33O 3px 0.098857 -0.154203 0.093644 0.128524 0.071444 -0.020263 33O 3py -0.053106 -0.050788 -0.063197 -0.063623 0.109165 0.048177 33O 1dz2 0.142536 0.153806 -0.076061 0.251891 -0.144133 0.121403 33O 1dxz 0.210026 -0.100880 0.119087 0.255433 -0.086584 0.107465 33O 1dyz -0.168624 0.172319 -0.092953 -0.054609 0.120060 -0.055370 33O 1dx2y2 0.175661 0.120069 -0.055744 0.260919 -0.255907 0.120320 33O 1dxy -0.086377 0.023616 0.012275 -0.081994 0.098455 -0.053980 33O 2dz2 -0.076606 -0.048721 0.023790 -0.125117 0.081127 -0.099807 33O 2dxz 0.013324 -0.249937 0.268433 -0.119395 0.106536 -0.026098 33O 2dyz 0.072736 -0.086084 0.039138 0.017993 -0.050172 0.055886 33O 2dx2y2 -0.187879 0.113074 -0.176737 -0.199143 0.121154 -0.099856 33O 2dxy 0.090827 -0.050344 0.045340 0.081092 -0.082463 0.012689 33O 1f0 0.040099 -0.096300 0.097549 -0.001162 0.019485 -0.058185 33O 1f+1 0.055296 -0.226112 0.220264 -0.053856 0.009073 0.033322 33O 1f-1 0.028398 -0.073270 0.001243 0.000119 0.004034 0.019882 33O 1f+2 -0.120205 0.255550 -0.241650 -0.007407 -0.008719 -0.023703 33O 1f-2 0.063226 -0.050079 0.084201 0.030788 -0.053136 -0.049174 33O 1f+3 -0.052790 0.071965 -0.075839 -0.047127 0.007004 -0.050293 33O 1f-3 0.088252 -0.085503 0.097833 0.047333 -0.052886 -0.009044 34O 1s -0.001109 -0.002131 0.003969 -0.001362 0.001567 0.000656 34O 2s -0.004993 -0.009354 0.018957 -0.001895 0.004185 0.001032 34O 3s 0.088503 0.161475 -0.359896 -0.025430 -0.035913 0.013665 34O 4s -0.263546 -0.474562 1.091711 0.224041 0.015052 -0.072019 34O 5s -0.063631 -0.068919 -0.005955 0.062687 0.031413 -0.162154 34O 1pz 0.014213 -0.005595 -0.004448 -0.020908 0.004872 0.011491 34O 1px 0.021868 0.033451 -0.109030 -0.012690 -0.008287 0.016138 34O 1py 0.007690 -0.006178 0.040651 0.024970 -0.017545 -0.001875 34O 2pz -0.019896 0.029178 -0.020509 0.038216 -0.018666 -0.039889 34O 2px -0.181788 -0.307194 0.830660 0.189147 -0.002292 -0.139132 34O 2py 0.016453 0.069023 -0.216801 -0.102625 0.037089 0.013557 34O 3pz 0.084710 -0.035035 0.038963 -0.122175 -0.083792 0.010142 34O 3px -0.031666 -0.086424 0.158714 0.104308 -0.060539 0.035130 34O 3py 0.047753 -0.021431 -0.094539 -0.000107 -0.100271 -0.068578 34O 1dz2 0.278855 0.256766 -0.063249 -0.279793 -0.367519 0.148234 34O 1dxz 0.018192 -0.018857 0.013753 -0.017301 0.017947 0.016684 34O 1dyz -0.069763 -0.011312 -0.065314 0.161579 0.106188 -0.048961 34O 1dx2y2 0.122669 0.069630 0.096519 -0.057266 -0.249129 0.057872 34O 1dxy -0.009246 0.014112 -0.110823 0.060599 0.064648 -0.024738 34O 2dz2 -0.118815 -0.076444 -0.149551 0.138486 0.225786 -0.068661 34O 2dxz 0.022602 0.022191 -0.053870 -0.029576 -0.036064 -0.034076 34O 2dyz 0.029024 -0.000345 0.067786 -0.085124 -0.059126 0.037700 34O 2dx2y2 -0.127622 -0.167292 0.263986 0.092401 0.136229 -0.097070 34O 2dxy 0.052987 0.041801 -0.051068 -0.063166 -0.077437 0.002503 34O 1f0 -0.036459 -0.003100 -0.003717 0.030422 0.024337 0.041553 34O 1f+1 0.012588 0.042867 -0.194932 0.027356 0.028719 -0.018812 34O 1f-1 -0.006715 -0.015099 0.046846 -0.001316 0.017091 0.019109 34O 1f+2 0.028808 -0.017462 0.012818 -0.049610 -0.027729 -0.025472 34O 1f-2 -0.032573 -0.027179 0.053888 0.008258 0.015536 0.034840 34O 1f+3 0.040503 0.129481 -0.195613 -0.016456 -0.004385 0.083611 34O 1f-3 -0.087747 -0.101209 0.208796 0.017391 0.095311 0.015150 35O 1s -0.002299 0.004727 -0.003827 -0.001451 -0.001324 0.000068 35O 2s -0.010176 0.021159 -0.018896 -0.003588 -0.002371 -0.000527 35O 3s 0.177799 -0.371687 0.367499 0.023668 -0.006840 0.027915 35O 4s -0.525679 1.090219 -1.134620 0.030192 0.159296 -0.100174 35O 5s -0.128198 0.207947 -0.044349 -0.032983 0.008147 -0.148557 35O 1pz -0.006623 -0.002890 0.030547 -0.018267 -0.021375 0.004594 35O 1px 0.032095 -0.076033 0.101951 0.006815 0.004538 0.011897 35O 1py 0.025306 -0.026493 0.057163 -0.000439 -0.015956 -0.007223 35O 2pz -0.017422 0.055257 -0.132529 0.041460 0.066428 -0.021955 35O 2px -0.322351 0.681258 -0.810011 0.020406 0.089365 -0.116251 35O 2py -0.158164 0.285488 -0.386047 0.028224 0.073157 0.005285 35O 3pz -0.016082 0.002560 -0.046997 -0.115468 0.020222 0.025096 35O 3px -0.106165 0.181007 -0.132622 0.003810 0.165491 0.025806 35O 3py 0.006297 0.057954 -0.072229 0.081543 -0.042171 0.054859 35O 1dz2 -0.298203 -0.143108 0.038928 -0.379822 0.175905 0.126858 35O 1dxz -0.083990 0.030592 -0.066592 -0.051546 0.028663 0.043529 35O 1dyz 0.102232 0.275545 -0.074602 0.167574 -0.206739 -0.120613 35O 1dx2y2 -0.157147 0.034103 -0.069200 -0.101573 0.139279 0.037276 35O 1dxy -0.202197 0.100031 -0.128286 -0.134072 0.129957 0.037289 35O 2dz2 0.256833 -0.099980 0.189531 0.222094 -0.128684 -0.067645 35O 2dxz 0.009617 0.034721 -0.009144 0.002260 -0.008421 -0.054572 35O 2dyz -0.068279 -0.148980 0.045412 -0.113730 0.123664 0.069002 35O 2dx2y2 -0.024256 0.190917 -0.202616 0.045622 -0.033430 -0.079640 35O 2dxy 0.024782 0.170599 -0.171126 0.110242 -0.080748 -0.022213 35O 1f0 0.060248 -0.073826 0.087153 0.046451 0.002633 0.015310 35O 1f+1 0.129565 -0.186034 0.191259 0.035378 -0.017481 -0.032763 35O 1f-1 0.060946 -0.127300 0.092039 0.002152 0.019509 -0.036332 35O 1f+2 -0.059427 0.142310 -0.108686 -0.032981 -0.010984 -0.054826 35O 1f-2 -0.030311 -0.004849 -0.050072 -0.051939 0.006096 0.013042 35O 1f+3 0.056449 -0.056104 0.044558 0.041624 -0.055962 0.079200 35O 1f-3 0.069107 -0.261636 0.249492 -0.027615 0.051157 0.013763 690 691 692 693 694 695 6.41284 6.42044 6.42369 6.42547 6.45396 6.48754 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s 0.000133 0.000085 0.000041 -0.000108 0.000359 0.001876 0Rh 2s -0.000971 -0.000542 -0.000220 0.000930 -0.002287 -0.011789 0Rh 3s 0.000238 0.000195 0.000120 -0.000112 0.000837 0.004477 0Rh 4s 0.006277 0.003539 0.001487 -0.005932 0.015057 0.077624 0Rh 5s -0.017740 -0.009696 -0.004201 0.017129 -0.042519 -0.215834 0Rh 6s 0.022278 0.010300 0.004925 -0.023658 0.052340 0.242993 0Rh 7s -0.052237 -0.001559 -0.007005 0.044015 -0.063357 -0.254083 0Rh 8s -0.011111 -0.003396 0.003959 0.001260 -0.025419 -0.050047 0Rh 1pz -0.000949 -0.013324 -0.003710 -0.005485 0.000358 0.016235 0Rh 1px 0.000965 -0.007588 0.000058 -0.000523 -0.001808 -0.044413 0Rh 1py -0.010292 0.003424 -0.006897 -0.006516 0.001879 -0.012108 0Rh 2pz 0.004011 0.055838 0.015560 0.023000 -0.001452 -0.068324 0Rh 2px -0.004016 0.031859 -0.000258 0.002159 0.007466 0.186937 0Rh 2py 0.043371 -0.014329 0.028917 0.027322 -0.007959 0.050967 0Rh 3pz -0.013878 -0.185261 -0.051819 -0.076541 0.003722 0.232235 0Rh 3px 0.012750 -0.106956 0.001064 -0.006526 -0.022312 -0.635948 0Rh 3py -0.148343 0.047135 -0.096331 -0.091066 0.027894 -0.173378 0Rh 4pz 0.019352 0.244727 0.069044 0.101784 -0.001315 -0.323828 0Rh 4px -0.015161 0.145550 -0.001541 0.006936 0.020819 0.888450 0Rh 4py 0.207210 -0.061205 0.129226 0.122260 -0.040055 0.241863 0Rh 5pz -0.010396 -0.120494 -0.035521 -0.051698 -0.006395 0.201753 0Rh 5px 0.003928 -0.083185 -0.000733 -0.000575 0.008888 -0.556831 0Rh 5py -0.127583 0.028098 -0.070492 -0.066012 0.021810 -0.148942 0Rh 6pz 0.051959 -0.690032 -0.182033 -0.282152 0.016122 0.094227 0Rh 6px 0.049818 -0.248022 0.025327 -0.010976 -0.100285 -0.119996 0Rh 6py 0.256860 0.242294 -0.359259 -0.380350 0.034268 -0.173697 0Rh 1dz2 0.000473 -0.006486 -0.002791 -0.003899 -0.014929 -0.007472 0Rh 1dxz -0.003907 0.007075 0.001736 0.002779 -0.007623 -0.011192 0Rh 1dyz 0.004685 -0.003051 -0.002377 -0.003285 0.005597 -0.002113 0Rh 1dx2y2 0.000339 0.004349 -0.001138 -0.001200 -0.007060 0.015837 0Rh 1dxy -0.008606 -0.004224 0.005184 0.005019 0.002099 0.008642 0Rh 2dz2 -0.000850 0.002705 0.001379 0.001845 0.004183 0.001249 0Rh 2dxz 0.001265 -0.003451 -0.000753 -0.001308 0.001943 0.002255 0Rh 2dyz -0.001543 0.000972 0.000863 0.001350 -0.001521 0.000707 0Rh 2dx2y2 -0.000577 -0.001949 0.000616 0.000728 0.002357 -0.003324 0Rh 2dxy 0.003431 0.001858 -0.002477 -0.002344 -0.000805 -0.002830 0Rh 3dz2 0.001720 0.022679 0.008612 0.012491 0.062959 0.035446 0Rh 3dxz 0.015490 -0.022157 -0.005969 -0.008975 0.033173 0.051256 0Rh 3dyz -0.018395 0.012415 0.008969 0.011636 -0.023825 0.008214 0Rh 3dx2y2 0.001002 -0.014381 0.003337 0.003096 0.027836 -0.071713 0Rh 3dxy 0.030717 0.014336 -0.016422 -0.016182 -0.007703 -0.034169 0Rh 4dz2 -0.008629 -0.049387 -0.016655 -0.025367 -0.152198 -0.084909 0Rh 4dxz -0.035554 0.044305 0.013167 0.018459 -0.081885 -0.121672 0Rh 4dyz 0.041774 -0.031618 -0.020384 -0.025875 0.057166 -0.017551 0Rh 4dx2y2 -0.004969 0.028808 -0.007111 -0.005636 -0.063546 0.168562 0Rh 4dxy -0.065541 -0.031180 0.032140 0.032162 0.017133 0.076223 0Rh 5dz2 0.032881 0.059711 0.011448 0.024400 0.269820 0.116393 0Rh 5dxz 0.052825 -0.038285 -0.018256 -0.015691 0.158150 0.165751 0Rh 5dyz -0.056899 0.063346 0.029293 0.032524 -0.090645 0.015005 0Rh 5dx2y2 0.016423 -0.021755 0.011985 0.000854 0.075197 -0.220730 0Rh 5dxy 0.078649 0.040436 -0.021478 -0.026411 -0.025951 -0.083434 0Rh 1f0 0.004659 -0.000278 -0.000616 -0.001161 0.006034 -0.012137 0Rh 1f+1 -0.003685 -0.000525 -0.000698 -0.001147 -0.007707 0.008174 0Rh 1f-1 0.006372 -0.002188 -0.002654 -0.003148 -0.005955 -0.000132 0Rh 1f+2 0.005777 0.003865 -0.000052 -0.000489 -0.005507 0.013548 0Rh 1f-2 0.003093 0.002631 -0.002407 -0.002265 0.004533 0.003509 0Rh 1f+3 0.007448 -0.001495 -0.000191 -0.000453 0.004857 0.018427 0Rh 1f-3 -0.009795 0.001188 -0.002343 -0.002909 0.005550 0.008810 1Rh 1s -0.000126 0.000096 0.000044 -0.000102 -0.000351 0.001887 1Rh 2s 0.000926 -0.000626 -0.000242 0.000887 0.002244 -0.011861 1Rh 3s -0.000221 0.000215 0.000128 -0.000098 -0.000817 0.004501 1Rh 4s -0.005985 0.004081 0.001631 -0.005650 -0.014771 0.078098 1Rh 5s 0.016934 -0.011235 -0.004608 0.016336 0.041731 -0.217176 1Rh 6s -0.021393 0.012270 0.005438 -0.022685 -0.051503 0.244671 1Rh 7s 0.052038 -0.004777 -0.008005 0.042720 0.062391 -0.256831 1Rh 8s 0.011550 -0.007086 0.004336 0.000872 0.025165 -0.051808 1Rh 1pz -0.000764 0.013104 0.003884 0.005469 0.000783 -0.016026 1Rh 1px 0.001196 0.007554 0.000039 0.000512 -0.001498 0.044553 1Rh 1py -0.010287 -0.003264 0.006885 0.006473 0.001973 0.012097 1Rh 2pz 0.003234 -0.054913 -0.016290 -0.022935 -0.003238 0.067444 1Rh 2px -0.004989 -0.031714 -0.000152 -0.002112 0.006166 -0.187523 1Rh 2py 0.043350 0.013657 -0.028868 -0.027141 -0.008354 -0.050919 1Rh 3pz -0.011327 0.182079 0.054317 0.076343 0.009775 -0.229245 1Rh 3px 0.016049 0.106384 0.000311 0.006342 -0.017916 0.637859 1Rh 3py -0.148248 -0.044902 0.096140 0.090429 0.029263 0.173197 1Rh 4pz 0.016102 -0.240275 -0.072551 -0.101549 -0.009744 0.319829 1Rh 4px -0.019762 -0.144512 -0.000303 -0.006587 0.014743 -0.890787 1Rh 4py 0.207007 0.058273 -0.128900 -0.121334 -0.042038 -0.241631 1Rh 5pz -0.009185 0.117836 0.037736 0.051564 -0.001161 -0.200321 1Rh 5px 0.006877 0.082132 0.001726 0.000152 0.012552 0.557334 1Rh 5py -0.127289 -0.026626 0.070211 0.065450 0.023209 0.149255 1Rh 6pz 0.062922 0.695718 0.180102 0.280521 0.032517 -0.082089 1Rh 6px 0.052544 0.249799 -0.026004 0.010927 -0.093624 0.126726 1Rh 6py 0.251440 -0.245534 0.361359 0.379463 0.032156 0.165955 1Rh 1dz2 -0.000640 -0.006882 -0.002852 -0.003995 0.014711 -0.007517 1Rh 1dxz 0.003973 0.007154 0.001640 0.002679 0.007831 -0.011233 1Rh 1dyz -0.005032 -0.002793 -0.002534 -0.003446 -0.005590 -0.002043 1Rh 1dx2y2 -0.000296 0.004358 -0.001235 -0.001279 0.007228 0.015891 1Rh 1dxy 0.008402 -0.004193 0.005196 0.005028 -0.002054 0.008661 1Rh 2dz2 0.000912 0.002798 0.001392 0.001865 -0.004089 0.001254 1Rh 2dxz -0.001302 -0.003522 -0.000722 -0.001277 -0.002058 0.002266 1Rh 2dyz 0.001685 0.000899 0.000928 0.001420 0.001508 0.000683 1Rh 2dx2y2 0.000559 -0.001973 0.000653 0.000758 -0.002420 -0.003326 1Rh 2dxy -0.003341 0.001850 -0.002481 -0.002345 0.000788 -0.002829 1Rh 3dz2 -0.001094 0.024423 0.008884 0.012935 -0.062214 0.035671 1Rh 3dxz -0.015670 -0.022235 -0.005589 -0.008571 -0.033765 0.051429 1Rh 3dyz 0.019631 0.011340 0.009525 0.012190 0.023851 0.007932 1Rh 3dx2y2 -0.001155 -0.014309 0.003697 0.003381 -0.028458 -0.071998 1Rh 3dxy -0.030022 0.014201 -0.016462 -0.016226 0.007536 -0.034278 1Rh 4dz2 0.007169 -0.053614 -0.017339 -0.026504 0.150623 -0.085484 1Rh 4dxz 0.035886 0.044150 0.012300 0.017502 0.083007 -0.122096 1Rh 4dyz -0.044627 -0.029047 -0.021615 -0.027089 -0.057300 -0.016826 1Rh 4dx2y2 0.005252 0.028538 -0.007909 -0.006236 0.064894 0.169343 1Rh 4dxy 0.064001 -0.030819 0.032199 0.032253 -0.016781 0.076537 1Rh 5dz2 -0.030729 0.067027 0.012755 0.026749 -0.268226 0.117837 1Rh 5dxz -0.053018 -0.036384 -0.016921 -0.013978 -0.158832 0.166301 1Rh 5dyz 0.061346 0.059135 0.031054 0.034245 0.091069 0.013007 1Rh 5dx2y2 -0.016434 -0.021511 0.012991 0.001216 -0.076682 -0.223192 1Rh 5dxy -0.076472 0.039485 -0.021412 -0.026540 0.025611 -0.084224 1Rh 1f0 0.004681 -0.000262 0.000678 0.001188 0.006028 0.012500 1Rh 1f+1 -0.003698 0.000292 0.000851 0.001272 -0.007691 -0.007745 1Rh 1f-1 0.006385 0.002430 0.002649 0.003143 -0.005725 0.000104 1Rh 1f+2 0.005715 -0.003744 0.000070 0.000576 -0.005777 -0.013547 1Rh 1f-2 0.003033 -0.002786 0.002396 0.002250 0.004536 -0.003882 1Rh 1f+3 0.007417 0.001264 0.000171 0.000441 0.004894 -0.018205 1Rh 1f-3 -0.009834 -0.001286 0.002243 0.002783 0.005526 -0.008926 2C 1s -0.000925 -0.000540 -0.000452 -0.000111 0.000221 -0.000587 2C 2s -0.000681 -0.000737 -0.000581 -0.000205 0.000179 0.001350 2C 3s -0.067390 -0.021907 0.003290 -0.013506 0.014765 -0.086989 2C 4s 0.364847 0.133657 -0.011276 0.110145 -0.071225 0.469381 2C 5s 0.076591 0.038898 0.105798 0.128387 0.038477 -0.607071 2C 1pz -0.011541 -0.000701 -0.008418 0.006803 0.003852 -0.011158 2C 1px -0.006004 -0.005711 -0.010715 0.000862 0.002248 -0.002265 2C 1py 0.004184 -0.000473 0.016770 -0.016690 -0.004939 -0.009318 2C 2pz 0.212164 0.048595 0.032226 -0.004856 -0.078755 0.236640 2C 2px 0.083992 0.082321 0.102615 0.020183 -0.013737 0.041328 2C 2py 0.072383 0.052747 -0.154991 0.186795 0.070460 0.173297 2C 3pz 0.029967 -0.007532 -0.001603 0.034120 0.015858 -0.103673 2C 3px -0.007719 0.029605 0.002913 0.033633 -0.011326 -0.033304 2C 3py 0.024877 0.020603 0.037949 -0.006373 -0.013052 -0.073318 2C 1dz2 0.001217 -0.000566 -0.017517 0.008871 0.003657 0.006457 2C 1dxz -0.001688 0.007769 -0.007754 0.017065 0.004473 0.003341 2C 1dyz 0.014642 0.004273 0.005425 -0.003154 -0.006683 0.007778 2C 1dx2y2 -0.010856 -0.002371 -0.009968 0.008898 0.003437 -0.001489 2C 1dxy 0.004614 0.006092 0.008241 0.000870 0.002584 0.000551 2C 2dz2 0.071679 -0.005407 0.022474 -0.045193 0.007622 0.052933 2C 2dxz 0.006697 0.040295 0.016133 0.057176 0.021593 0.028174 2C 2dyz 0.053372 0.021303 -0.045135 0.046236 -0.004926 0.088799 2C 2dx2y2 0.018330 0.009746 0.042659 -0.032096 0.023270 -0.030049 2C 2dxy 0.020219 0.031148 0.062980 -0.004629 -0.054582 0.016747 2C 1f0 0.014046 -0.008511 -0.009094 -0.015186 0.023274 0.002508 2C 1f+1 0.003066 0.010339 0.009630 0.011409 -0.019442 0.004709 2C 1f-1 0.010493 -0.002989 -0.002967 -0.004013 -0.017527 0.021694 2C 1f+2 -0.016247 0.001901 0.007807 0.005474 -0.004103 -0.010946 2C 1f-2 0.016661 0.023610 0.019199 0.014564 0.014563 0.010153 2C 1f+3 0.000277 0.012160 -0.006048 0.017421 0.031511 0.001556 2C 1f-3 0.008611 -0.001611 0.003279 -0.009986 0.001583 -0.000889 3C 1s -0.000056 0.000049 -0.000207 0.000617 -0.000096 -0.000632 3C 2s -0.000609 0.000083 -0.000178 0.000787 -0.000230 0.001373 3C 3s 0.070024 0.021812 0.014074 0.003523 -0.010958 -0.095254 3C 4s -0.380723 -0.125085 -0.100160 -0.006159 0.060815 0.511936 3C 5s 0.016816 0.107516 -0.073218 -0.015099 -0.002504 -0.664329 3C 1pz 0.016485 0.004051 0.016739 -0.018526 -0.001105 -0.005470 3C 1px 0.005794 -0.005945 0.005826 -0.001907 0.000136 -0.002896 3C 1py -0.002105 0.000016 0.007729 -0.008870 -0.000037 0.013572 3C 2pz -0.236456 -0.088078 -0.182647 0.174248 0.008060 0.146649 3C 2px -0.118494 0.042363 -0.088288 0.002614 -0.022133 0.079983 3C 2py 0.183835 0.086274 -0.003587 0.047093 -0.068047 -0.267121 3C 3pz -0.001047 0.001747 0.016865 -0.032682 -0.000323 -0.042783 3C 3px 0.000611 0.023383 -0.021770 -0.023229 0.008224 -0.066977 3C 3py 0.023240 -0.008069 0.027768 -0.023417 0.002119 0.117256 3C 1dz2 0.009419 -0.000377 0.010997 -0.007851 0.001532 -0.000952 3C 1dxz 0.001207 0.003022 0.005234 -0.010144 -0.001841 0.002538 3C 1dyz 0.002297 0.007479 -0.007939 0.009306 -0.003414 -0.009538 3C 1dx2y2 0.019031 0.011021 0.014175 -0.013976 -0.002946 -0.005434 3C 1dxy 0.009224 -0.004440 0.008324 -0.001797 -0.004891 -0.003649 3C 2dz2 -0.030044 -0.021406 -0.060049 0.073106 -0.006296 -0.018408 3C 2dxz -0.025521 0.015883 -0.026907 0.023661 0.054053 0.021010 3C 2dyz 0.081456 0.054608 0.019484 -0.013349 -0.023770 -0.087022 3C 2dx2y2 0.056810 0.048754 0.009969 -0.018522 0.029281 -0.070784 3C 2dxy 0.055747 -0.035722 0.055892 -0.015338 -0.006599 -0.038343 3C 1f0 0.018674 0.002981 0.011782 -0.005734 0.021209 -0.011323 3C 1f+1 -0.002241 -0.006440 0.006584 -0.009734 -0.017130 0.001167 3C 1f-1 -0.000368 0.010496 0.001405 -0.010804 -0.018769 -0.001344 3C 1f+2 0.002279 0.017601 -0.013208 0.004418 -0.010660 -0.023049 3C 1f-2 0.012804 -0.006249 0.004661 0.008315 0.011873 -0.012232 3C 1f+3 0.000574 0.018731 -0.001512 -0.007460 0.029367 0.007468 3C 1f-3 0.010213 0.027905 -0.003816 -0.005749 0.006700 -0.010628 4C 1s 0.002286 0.004250 0.000241 0.001438 -0.000740 -0.015082 4C 2s 0.002106 0.005950 0.000926 0.002554 -0.000703 -0.025045 4C 3s 0.098213 0.047883 -0.020982 -0.003645 -0.026648 0.154111 4C 4s -0.486202 -0.413037 0.086148 -0.068492 0.133355 0.056639 4C 5s 0.061955 -0.041992 -0.022520 -0.048733 0.001854 0.351420 4C 1pz -0.013348 -0.014773 -0.000100 -0.012121 0.001111 0.017230 4C 1px 0.005050 -0.005849 -0.003706 -0.004393 0.002393 0.005188 4C 1py -0.008089 -0.010796 -0.000060 -0.010642 0.001638 0.013687 4C 2pz 0.103819 -0.011455 -0.071959 0.178005 -0.039654 0.439499 4C 2px -0.098849 -0.025826 -0.121685 -0.029513 0.158947 0.072184 4C 2py 0.127630 -0.007079 0.108372 -0.064855 0.007078 0.278703 4C 3pz 0.098805 0.068814 0.133086 0.089758 0.000304 -0.290269 4C 3px 0.001109 -0.177328 -0.112684 -0.193764 0.033333 -0.062389 4C 3py 0.057779 -0.033194 -0.066900 0.073865 0.029677 -0.192003 4C 1dz2 -0.003305 0.024992 -0.037713 0.056504 0.029484 -0.046330 4C 1dxz -0.013105 0.000948 -0.035838 0.011961 -0.031020 -0.066374 4C 1dyz -0.002190 -0.005613 0.030547 -0.016027 -0.039311 0.000238 4C 1dx2y2 -0.050812 -0.045363 -0.037295 0.015673 -0.031438 0.110947 4C 1dxy 0.004171 -0.012383 -0.013472 -0.020977 0.084318 0.043424 4C 2dz2 0.013035 -0.040425 0.052786 -0.150890 -0.006448 -0.098717 4C 2dxz -0.024467 0.088909 0.119036 0.014234 -0.018628 -0.075475 4C 2dyz -0.130670 -0.072593 -0.039080 0.001932 -0.015850 -0.087393 4C 2dx2y2 0.018602 -0.052279 0.084214 -0.016794 -0.039242 0.090684 4C 2dxy -0.038172 0.075734 0.034947 0.041802 0.124013 -0.011009 4C 1f0 0.051281 0.054377 0.034189 -0.008729 0.074570 -0.024164 4C 1f+1 0.036863 -0.013101 0.045526 -0.059399 -0.104100 -0.039005 4C 1f-1 0.010594 0.003045 -0.001644 0.022424 -0.059424 0.004038 4C 1f+2 -0.045149 -0.048134 -0.018375 0.005427 -0.040463 0.032787 4C 1f-2 -0.014849 -0.006291 -0.086266 0.027875 0.068658 0.001422 4C 1f+3 0.074791 0.011020 0.064286 -0.086116 0.072868 -0.006324 4C 1f-3 -0.010441 0.020567 -0.092674 0.069003 0.031256 -0.031788 5C 1s -0.000033 -0.005559 -0.001213 -0.002823 0.002199 -0.013746 5C 2s 0.001081 -0.008249 -0.001654 -0.004045 0.002608 -0.022698 5C 3s -0.092728 -0.025125 -0.023860 -0.021012 0.027085 0.149821 5C 4s 0.399027 0.394680 0.180794 0.208427 -0.197394 -0.005580 5C 5s -0.085518 -0.023871 0.033423 0.003228 -0.028923 0.402389 5C 1pz 0.005592 0.011819 0.006005 -0.000294 -0.004386 0.007851 5C 1px 0.003229 0.003999 0.008403 0.003795 0.002107 0.004965 5C 1py -0.014052 -0.019017 -0.008286 -0.001970 0.006751 -0.013288 5C 2pz -0.010441 0.061095 0.069995 -0.073183 -0.038284 0.262875 5C 2px -0.142551 -0.112638 0.036698 0.054419 0.041867 0.169293 5C 2py 0.257836 -0.017883 0.148422 -0.174109 -0.006889 -0.428961 5C 3pz -0.045198 0.087033 -0.125468 0.042346 -0.005715 -0.212341 5C 3px -0.030964 -0.233140 0.062009 0.094976 0.007806 -0.026942 5C 3py 0.066383 -0.074336 0.030092 0.062303 0.017977 0.298666 5C 1dz2 0.035731 -0.002423 0.036393 -0.052958 0.047700 -0.050162 5C 1dxz -0.014671 -0.045270 0.012699 -0.038801 -0.064522 -0.060920 5C 1dyz -0.021511 -0.025925 -0.023751 0.022235 0.013725 -0.024018 5C 1dx2y2 0.020484 0.027758 0.048577 -0.008123 -0.021429 0.097487 5C 1dxy -0.002303 0.030314 -0.004856 -0.016345 -0.070320 0.031465 5C 2dz2 -0.052858 -0.063518 -0.057421 0.083121 0.074014 -0.005325 5C 2dxz -0.012897 0.003173 -0.073088 -0.031068 -0.053922 -0.098002 5C 2dyz -0.074126 -0.000114 -0.005138 -0.072732 0.031279 0.071213 5C 2dx2y2 -0.116730 0.058034 -0.114818 0.088641 0.006131 0.098637 5C 2dxy -0.064534 -0.134133 -0.009595 0.024118 -0.076308 0.106990 5C 1f0 -0.002034 0.012757 -0.030820 0.048454 0.092920 -0.025756 5C 1f+1 -0.082666 -0.044201 -0.094420 0.056129 -0.058818 -0.030630 5C 1f-1 -0.029466 -0.025559 -0.025067 0.018043 -0.047617 0.002534 5C 1f+2 0.056053 -0.016961 0.074834 -0.066455 -0.059142 0.009559 5C 1f-2 0.034710 0.049619 0.004063 0.026176 0.040875 0.023279 5C 1f+3 0.011414 -0.030480 0.013884 0.011934 0.113404 -0.016829 5C 1f-3 -0.034170 -0.010037 -0.053685 0.101891 0.021828 0.034017 6C 1s -0.000364 -0.005583 -0.001212 -0.002768 -0.002308 -0.013298 6C 2s -0.001746 -0.008267 -0.001689 -0.004004 -0.002760 -0.022103 6C 3s 0.094366 -0.026941 -0.021780 -0.019019 -0.027532 0.151881 6C 4s -0.385146 0.402393 0.172245 0.198846 0.204730 -0.032028 6C 5s 0.079096 -0.027087 0.034080 0.003440 0.031782 0.390652 6C 1pz 0.004658 -0.012194 -0.005688 0.000533 -0.004433 -0.007703 6C 1px 0.002474 -0.003715 -0.009073 -0.004489 0.002077 -0.004154 6C 1py -0.012364 0.019412 0.008028 0.001804 0.006815 0.012905 6C 2pz -0.009665 -0.054184 -0.073227 0.072370 -0.041518 -0.256553 6C 2px -0.138494 0.111628 -0.033759 -0.050187 0.042311 -0.170892 6C 2py 0.254811 0.012885 -0.144951 0.173980 -0.002916 0.416826 6C 3pz -0.042231 -0.084836 0.124960 -0.041879 -0.009693 0.212260 6C 3px -0.024021 0.232527 -0.060963 -0.093218 0.011850 0.025073 6C 3py 0.059708 0.069539 -0.029502 -0.063584 0.023136 -0.296422 6C 1dz2 -0.036997 -0.002111 0.036745 -0.052257 -0.047779 -0.047624 6C 1dxz 0.012283 -0.047767 0.012537 -0.039109 0.063605 -0.058600 6C 1dyz 0.020587 -0.025534 -0.023708 0.022432 -0.014183 -0.023228 6C 1dx2y2 -0.017821 0.027499 0.048551 -0.008475 0.021935 0.094807 6C 1dxy 0.003552 0.028683 -0.005105 -0.016837 0.070664 0.030280 6C 2dz2 0.051879 -0.062178 -0.056276 0.084823 -0.075438 -0.004381 6C 2dxz 0.014601 0.003985 -0.074722 -0.031274 0.052664 -0.094266 6C 2dyz 0.071647 -0.002561 -0.004058 -0.072080 -0.030177 0.074081 6C 2dx2y2 0.114541 0.057524 -0.115177 0.086822 -0.002715 0.093036 6C 2dxy 0.060722 -0.138772 -0.007449 0.025057 0.074016 0.102957 6C 1f0 -0.002326 -0.016252 0.030841 -0.048846 0.092730 0.025432 6C 1f+1 -0.081717 0.045110 0.094518 -0.056118 -0.057796 0.030920 6C 1f-1 -0.028994 0.026330 0.025428 -0.017420 -0.047090 -0.002138 6C 1f+2 0.056101 0.018899 -0.074618 0.066874 -0.058556 -0.009732 6C 1f-2 0.033112 -0.051464 -0.004082 -0.026380 0.039972 -0.020763 6C 1f+3 0.012304 0.028471 -0.014850 -0.013528 0.114113 0.014533 6C 1f-3 -0.034692 0.007582 0.054265 -0.101180 0.021747 -0.030295 7C 1s -0.001926 0.004098 0.000158 0.001463 0.000692 -0.014864 7C 2s -0.001528 0.005807 0.000794 0.002593 0.000620 -0.024766 7C 3s -0.098844 0.043333 -0.018861 -0.004986 0.027888 0.155885 7C 4s 0.470768 -0.387451 0.078712 -0.061794 -0.136603 0.040268 7C 5s -0.059036 -0.042223 -0.022459 -0.047946 -0.004168 0.344587 7C 1pz -0.012050 0.014669 0.000515 0.011597 0.001119 -0.016507 7C 1px 0.005178 0.005069 0.004266 0.004881 0.002577 -0.005780 7C 1py -0.007350 0.010582 0.000458 0.010567 0.001712 -0.013586 7C 2pz 0.105003 0.011270 0.063179 -0.173138 -0.040045 -0.438098 7C 2px -0.100859 0.029706 0.115276 0.026158 0.154709 -0.070937 7C 2py 0.129129 0.003962 -0.114183 0.067479 0.005044 -0.275557 7C 3pz 0.090998 -0.069494 -0.133209 -0.089753 0.002398 0.289438 7C 3px 0.001037 0.176362 0.111720 0.192541 0.040249 0.061575 7C 3py 0.052888 0.032569 0.065876 -0.075275 0.034122 0.188895 7C 1dz2 0.004604 0.024688 -0.037463 0.057050 -0.029398 -0.044749 7C 1dxz 0.014798 -0.001294 -0.035833 0.011862 0.030514 -0.064789 7C 1dyz 0.002022 -0.005728 0.030111 -0.016164 0.039252 -0.000352 7C 1dx2y2 0.048046 -0.045970 -0.036936 0.015717 0.031425 0.109810 7C 1dxy -0.005016 -0.009853 -0.013028 -0.020676 -0.084153 0.042786 7C 2dz2 -0.015152 -0.036913 0.048902 -0.150955 0.003784 -0.099594 7C 2dxz 0.025145 0.086554 0.117753 0.015927 0.023188 -0.076251 7C 2dyz 0.128232 -0.071896 -0.041726 0.003088 0.014553 -0.087334 7C 2dx2y2 -0.020006 -0.049644 0.085937 -0.018157 0.038954 0.086564 7C 2dxy 0.038980 0.078693 0.036145 0.043628 -0.120100 -0.012969 7C 1f0 0.049937 -0.056279 -0.034298 0.008692 0.073384 0.024385 7C 1f+1 0.036450 0.015986 -0.044610 0.060386 -0.103398 0.039526 7C 1f-1 0.010228 -0.000876 0.001642 -0.022089 -0.059064 -0.004945 7C 1f+2 -0.043816 0.047823 0.018772 -0.005286 -0.039208 -0.031756 7C 1f-2 -0.015302 0.006918 0.085130 -0.028581 0.068729 -0.002934 7C 1f+3 0.074866 -0.015412 -0.063784 0.086592 0.073487 0.008063 7C 1f-3 -0.011479 -0.018492 0.092258 -0.069493 0.031942 0.028290 8C 1s 0.000059 0.000074 -0.000208 0.000596 0.000094 -0.000648 8C 2s 0.000620 0.000092 -0.000173 0.000767 0.000235 0.001316 8C 3s -0.068648 0.023994 0.012922 0.002695 0.010644 -0.094895 8C 4s 0.370922 -0.136895 -0.093975 -0.002222 -0.058348 0.508831 8C 5s -0.019806 0.105081 -0.074049 -0.017669 0.006227 -0.655832 8C 1pz 0.016394 -0.003935 -0.016706 0.018476 -0.001057 0.005048 8C 1px 0.005878 0.005857 -0.005782 0.001902 0.000255 0.002797 8C 1py -0.002044 0.000372 -0.007891 0.008824 -0.000098 -0.013535 8C 2pz -0.232117 0.090455 0.180679 -0.173806 0.006361 -0.142842 8C 2px -0.117026 -0.039117 0.086996 -0.002659 -0.023342 -0.079767 8C 2py 0.177082 -0.092768 0.007799 -0.045317 -0.067426 0.266988 8C 3pz 0.000022 -0.000426 -0.016840 0.033056 -0.000455 0.042293 8C 3px 0.000418 -0.023110 0.021318 0.022820 0.007419 0.066573 8C 3py 0.022160 0.007334 -0.027687 0.023025 0.002774 -0.115433 8C 1dz2 -0.009388 -0.000406 0.011001 -0.007793 -0.001623 -0.000804 8C 1dxz -0.001367 0.002748 0.005444 -0.010217 0.001890 0.002821 8C 1dyz -0.001968 0.007889 -0.008134 0.009102 0.003528 -0.009930 8C 1dx2y2 -0.018639 0.011093 0.013967 -0.013984 0.003007 -0.005350 8C 1dxy -0.009172 -0.004376 0.008289 -0.001914 0.004666 -0.003777 8C 2dz2 0.029795 -0.020174 -0.060396 0.072853 0.005358 -0.019728 8C 2dxz 0.024617 0.016837 -0.025625 0.023134 -0.053204 0.020287 8C 2dyz -0.079206 0.056300 0.018525 -0.014447 0.024733 -0.086868 8C 2dx2y2 -0.054578 0.050995 0.008743 -0.017665 -0.029096 -0.069942 8C 2dxy -0.055746 -0.034813 0.055613 -0.015718 0.004662 -0.037551 8C 1f0 0.018526 -0.003605 -0.011801 0.005495 0.021346 0.011038 8C 1f+1 -0.002098 0.007201 -0.006395 0.009579 -0.016986 -0.001311 8C 1f-1 -0.000586 -0.009902 -0.001289 0.010877 -0.019115 0.001349 8C 1f+2 0.001980 -0.017874 0.013462 -0.004069 -0.011026 0.023127 8C 1f-2 0.012792 0.005365 -0.004556 -0.008110 0.012128 0.012318 8C 1f+3 0.000417 -0.019034 0.001212 0.007018 0.028915 -0.007641 8C 1f-3 0.009615 -0.028300 0.003879 0.005746 0.006192 0.010683 9C 1s 0.000888 -0.000533 -0.000433 -0.000125 -0.000228 -0.000593 9C 2s 0.000626 -0.000731 -0.000539 -0.000236 -0.000185 0.001329 9C 3s 0.066614 -0.020309 0.001470 -0.012538 -0.015094 -0.087412 9C 4s -0.358988 0.126006 -0.000197 0.104543 0.073351 0.471345 9C 5s -0.068611 0.042253 0.104496 0.131746 -0.040902 -0.601127 9C 1pz -0.011575 0.000772 0.008735 -0.007083 0.003927 0.010857 9C 1px -0.005920 0.005764 0.010636 -0.000903 0.002467 0.002037 9C 1py 0.004090 0.000143 -0.016301 0.016651 -0.004884 0.009837 9C 2pz 0.209388 -0.044257 -0.040561 0.010269 -0.079781 -0.236077 9C 2px 0.081737 -0.081255 -0.102834 -0.019760 -0.018638 -0.039840 9C 2py 0.071936 -0.049243 0.147080 -0.184450 0.069581 -0.178460 9C 3pz 0.028499 0.007116 0.001312 -0.034715 0.017046 0.101508 9C 3px -0.007900 -0.028451 -0.003356 -0.033111 -0.011354 0.032286 9C 3py 0.023495 -0.020587 -0.037529 0.006393 -0.013083 0.074175 9C 1dz2 -0.001119 -0.001095 -0.017152 0.008798 -0.003882 0.006936 9C 1dxz 0.001917 0.007460 -0.007425 0.017116 -0.004145 0.003742 9C 1dyz -0.014347 0.003970 0.005384 -0.003155 0.006619 0.007829 9C 1dx2y2 0.010890 -0.002428 -0.010198 0.009195 -0.003612 -0.001249 9C 1dxy -0.004473 0.006217 0.008266 0.000918 -0.002284 0.000500 9C 2dz2 -0.071669 -0.004709 0.024981 -0.047175 -0.007746 0.051535 9C 2dxz -0.006731 0.040864 0.018004 0.055890 -0.021448 0.027720 9C 2dyz -0.052447 0.018463 -0.042821 0.045640 0.005157 0.090545 9C 2dx2y2 -0.017807 0.011121 0.039405 -0.030151 -0.024407 -0.031113 9C 2dxy -0.019896 0.030525 0.063067 -0.004905 0.055001 0.015785 9C 1f0 0.014002 0.007851 0.009056 0.014895 0.024051 -0.002375 9C 1f+1 0.002680 -0.009391 -0.009354 -0.011320 -0.019917 -0.004687 9C 1f-1 0.010505 0.003817 0.002646 0.004446 -0.017286 -0.021651 9C 1f+2 -0.016121 -0.001996 -0.007887 -0.005137 -0.004300 0.011352 9C 1f-2 0.016066 -0.024147 -0.019248 -0.014742 0.013689 -0.010035 9C 1f+3 0.000275 -0.012979 0.005441 -0.017662 0.031218 -0.001865 9C 1f-3 0.008315 0.001668 -0.002855 0.009734 0.002007 0.001067 10H 1s -0.012279 0.004119 -0.001736 0.015474 -0.002194 -0.002132 10H 2s -0.047357 -0.028516 -0.046910 0.011671 0.002765 0.008784 10H 3s 0.020471 -0.003037 0.007266 -0.010002 0.000778 0.063170 10H 1pz -0.010579 -0.007684 -0.013214 0.001100 0.000187 -0.004078 10H 1px 0.013875 0.002362 0.008882 -0.008697 0.000197 -0.000321 10H 1py -0.002185 -0.003302 -0.007895 -0.000107 0.012177 -0.002862 11H 1s 0.003663 0.000718 0.013174 -0.008100 -0.017446 -0.003541 11H 2s 0.011267 -0.008802 0.059789 -0.078221 -0.064977 -0.008263 11H 3s -0.016368 -0.013024 -0.040101 0.015832 0.012944 0.049179 11H 1pz 0.003626 -0.002429 0.026870 -0.026908 -0.012599 -0.008918 11H 1px 0.003957 -0.000835 0.012555 -0.013997 -0.010110 -0.004246 11H 1py 0.003042 0.003017 0.002502 0.000327 0.017531 -0.001964 12H 1s -0.002572 0.002224 -0.015115 0.012166 0.025904 -0.002854 12H 2s -0.015176 -0.003361 -0.074812 0.051171 0.081840 0.003981 12H 3s -0.003518 0.007174 0.000438 -0.038059 -0.030904 0.046534 12H 1pz -0.011354 -0.001982 -0.005745 0.007213 -0.016395 -0.003077 12H 1px 0.000552 0.000700 -0.007512 0.005292 0.009244 -0.001296 12H 1py -0.013885 -0.001798 -0.030830 0.023914 0.025184 -0.002903 13H 1s -0.000304 0.010361 -0.012876 0.011832 0.010303 -0.007624 13H 2s -0.023775 -0.021050 -0.030115 0.063817 0.026475 0.003665 13H 3s -0.008976 0.002236 0.016678 -0.011591 -0.010961 0.078349 13H 1pz -0.007775 -0.005169 -0.011241 0.017151 -0.002276 -0.004045 13H 1px 0.001928 -0.002491 0.007388 -0.011125 -0.014554 0.002190 13H 1py 0.004955 0.007700 0.004829 -0.011244 -0.002944 0.003826 14H 1s -0.014353 -0.005009 -0.016663 0.014288 -0.020409 -0.004809 14H 2s -0.058195 -0.018283 -0.069735 0.060369 -0.058259 0.004808 14H 3s 0.004848 -0.025588 0.017115 -0.026011 0.017435 0.059431 14H 1pz -0.012732 -0.001788 -0.021655 0.021249 -0.004660 -0.004658 14H 1px -0.018060 -0.005039 -0.021482 0.018470 -0.016409 -0.004089 14H 1py -0.003842 -0.005259 0.005430 -0.005732 -0.016746 0.005805 15H 1s 0.009203 0.003134 0.009393 -0.010716 0.010917 -0.002763 15H 2s 0.040794 -0.010373 0.076239 -0.068990 0.040313 0.002107 15H 3s -0.027361 -0.015482 -0.022576 0.040668 -0.008158 0.045957 15H 1pz -0.000832 0.003076 -0.002598 0.001825 -0.014979 -0.001061 15H 1px 0.003642 0.001280 0.007640 -0.009336 -0.006679 -0.002122 15H 1py -0.021809 -0.002032 -0.030044 0.027306 -0.006319 0.005931 16H 1s 0.072942 -0.010063 -0.059380 -0.067299 -0.060497 -0.117863 16H 2s 0.178084 0.137130 -0.107163 -0.100765 -0.163321 -0.256515 16H 3s -0.005259 -0.009813 -0.004317 -0.005715 0.019011 0.051332 16H 1pz 0.145484 0.070960 -0.102659 -0.106101 -0.110779 -0.151901 16H 1px 0.121908 -0.068453 -0.096557 -0.115116 -0.030328 -0.009757 16H 1py -0.033366 -0.095839 0.017977 0.010904 -0.016511 -0.136462 17H 1s 0.062294 0.042171 -0.048812 -0.047644 -0.065290 -0.122778 17H 2s 0.178889 -0.023199 -0.123376 -0.141840 -0.177036 -0.241257 17H 3s -0.005496 0.010384 0.000784 0.001688 0.021393 0.050145 17H 1pz -0.176547 -0.098581 0.126920 0.128620 0.104034 0.105207 17H 1px -0.026713 0.095699 0.024693 0.038536 0.053487 0.066807 17H 1py -0.029416 0.055430 0.023964 0.032323 -0.039647 -0.170742 18H 1s -0.061231 0.042704 -0.049505 -0.048081 0.066002 -0.123809 18H 2s -0.178144 -0.019471 -0.124757 -0.143426 0.175559 -0.246020 18H 3s 0.005816 0.010979 0.001133 0.002280 -0.021039 0.051055 18H 1pz -0.172593 0.105109 -0.127112 -0.128080 0.105872 -0.109789 18H 1px -0.028540 -0.097824 -0.024815 -0.039038 0.051602 -0.070181 18H 1py -0.035491 -0.052921 -0.027039 -0.035625 -0.038468 0.168725 19H 1s -0.073123 -0.009799 -0.059998 -0.067520 0.058345 -0.118562 19H 2s -0.176258 0.143421 -0.108255 -0.101867 0.162053 -0.255918 19H 3s 0.004717 -0.008811 -0.004618 -0.005813 -0.018992 0.051684 19H 1pz 0.145399 -0.077102 0.104453 0.107415 -0.108980 0.149002 19H 1px 0.123239 0.066318 0.097118 0.115259 -0.027167 0.008705 19H 1py -0.025627 0.098375 -0.014274 -0.006696 -0.016525 0.141213 20H 1s -0.009281 0.003310 0.009527 -0.010612 -0.011179 -0.002479 20H 2s -0.041385 -0.009935 0.076448 -0.068094 -0.041838 0.004118 20H 3s 0.027431 -0.015097 -0.022282 0.040711 0.008176 0.045311 20H 1pz -0.001168 -0.002790 0.002799 -0.001652 -0.015456 0.001245 20H 1px 0.003642 -0.001029 -0.007710 0.009415 -0.006412 0.001927 20H 1py -0.021776 0.002106 0.029996 -0.027194 -0.006541 -0.005271 21H 1s 0.014272 -0.005178 -0.016834 0.013866 0.020313 -0.005112 21H 2s 0.057615 -0.019228 -0.070005 0.059562 0.058237 0.003943 21H 3s -0.005198 -0.025346 0.017530 -0.025563 -0.018000 0.058577 21H 1pz -0.012854 0.001625 0.021909 -0.021169 -0.004962 0.005029 21H 1px -0.017809 0.005201 0.021473 -0.018108 -0.016244 0.004273 21H 1py -0.003696 0.005870 -0.005436 0.005960 -0.016800 -0.005788 22H 1s 0.000455 0.011027 -0.012751 0.011515 -0.009725 -0.007931 22H 2s 0.022663 -0.019677 -0.029553 0.062470 -0.025570 0.002363 22H 3s 0.008925 0.001412 0.016606 -0.011210 0.010737 0.077392 22H 1pz -0.007449 0.004934 0.011030 -0.016509 -0.002534 0.004321 22H 1px 0.001948 0.003084 -0.007340 0.011012 -0.014138 -0.002365 22H 1py 0.004670 -0.007475 -0.004742 0.011108 -0.003170 -0.003945 23H 1s 0.002472 0.002661 -0.014628 0.012357 -0.025731 -0.002474 23H 2s 0.014557 -0.003099 -0.074166 0.051389 -0.082271 0.005312 23H 3s 0.003157 0.006079 0.000838 -0.039032 0.030980 0.045214 23H 1pz -0.011430 0.002691 0.006012 -0.007247 -0.016373 0.002926 23H 1px 0.000599 -0.000632 0.007195 -0.005193 0.008669 0.001074 23H 1py -0.013662 0.001828 0.030591 -0.024083 0.025567 0.002327 24H 1s -0.003417 0.000310 0.013078 -0.008244 0.017957 -0.003887 24H 2s -0.010924 -0.010230 0.058514 -0.078165 0.065945 -0.009446 24H 3s 0.015060 -0.013694 -0.038802 0.014905 -0.013637 0.049781 24H 1pz 0.003779 0.002149 -0.026465 0.026875 -0.012539 0.009522 24H 1px 0.003828 0.001141 -0.012388 0.014165 -0.010820 0.004539 24H 1py 0.003232 -0.003748 -0.002540 -0.000324 0.017694 0.002115 25H 1s 0.011889 0.004335 -0.000958 0.014969 0.002090 -0.002048 25H 2s 0.045799 -0.028548 -0.043797 0.009469 -0.004359 0.008819 25H 3s -0.020530 -0.002797 0.006448 -0.009697 -0.000322 0.062383 25H 1pz -0.010442 0.007885 0.012584 -0.000707 0.000222 0.003934 25H 1px 0.013310 -0.002288 -0.007960 0.008086 -0.000333 0.000378 25H 1py -0.001805 0.003011 0.007399 0.000447 0.012151 0.002804 26O 1s -0.000108 0.000512 0.000475 0.000635 -0.000437 -0.002378 26O 2s 0.000449 0.002512 0.001754 0.002480 -0.001842 -0.009195 26O 3s -0.026492 -0.044278 -0.020181 -0.031727 0.033582 0.136008 26O 4s 0.103198 0.120038 0.036438 0.058952 -0.111546 -0.353271 26O 5s 0.145590 -0.044312 -0.092239 -0.131213 -0.121728 0.011107 26O 1pz -0.004478 0.007974 -0.009247 0.014368 -0.016242 0.003456 26O 1px 0.004099 0.013028 -0.001457 0.016532 -0.016986 -0.032150 26O 1py 0.015165 0.013325 0.024518 -0.011490 0.022711 -0.011274 26O 2pz 0.017787 -0.009101 0.044551 -0.031508 0.060701 -0.013035 26O 2px -0.083851 -0.065375 0.027826 -0.039277 0.103996 0.186011 26O 2py -0.089141 -0.051279 -0.072449 0.064948 -0.055441 0.069884 26O 3pz 0.050209 -0.097644 -0.159592 -0.131178 0.038870 0.058338 26O 3px 0.025124 -0.079298 -0.086443 -0.058754 0.080587 0.042320 26O 3py -0.001404 -0.199128 -0.010100 -0.149194 -0.052068 0.069577 26O 1dz2 0.036554 -0.050856 0.246486 -0.171546 -0.312597 -0.052235 26O 1dxz 0.002814 -0.077405 -0.003078 -0.124797 -0.014070 0.011197 26O 1dyz 0.002554 0.037211 -0.144705 0.116104 0.211143 -0.060411 26O 1dx2y2 0.050388 0.038642 0.143834 -0.033026 -0.069402 -0.016802 26O 1dxy 0.017784 -0.032067 0.074305 -0.069442 -0.201574 -0.026306 26O 2dz2 -0.049687 0.006883 -0.171859 0.109088 0.217039 0.080438 26O 2dxz -0.022598 0.029839 -0.028220 0.094006 -0.029988 -0.024689 26O 2dyz -0.004049 -0.032644 0.090187 -0.075290 -0.156099 0.028202 26O 2dx2y2 -0.036532 -0.007437 -0.118260 0.071565 -0.005412 -0.035473 26O 2dxy 0.045455 0.059656 -0.016773 0.020596 0.155182 -0.052243 26O 1f0 -0.022606 -0.008802 -0.007309 0.017878 -0.034571 -0.034659 26O 1f+1 0.038571 0.017632 0.063240 -0.040557 -0.028410 -0.055513 26O 1f-1 0.027998 0.014128 0.035068 -0.039751 0.024248 -0.027333 26O 1f+2 0.048367 0.017689 0.066297 -0.055377 0.048118 0.032029 26O 1f-2 0.009154 -0.000503 -0.023343 -0.003739 0.054829 0.032363 26O 1f+3 -0.075041 -0.034376 -0.078285 0.087127 -0.097624 0.011732 26O 1f-3 0.015635 0.043676 -0.009165 0.027569 0.055084 -0.081232 27O 1s 0.000788 0.000402 -0.000506 -0.000683 -0.000184 -0.002619 27O 2s 0.002373 0.001094 -0.001825 -0.002695 -0.000273 -0.009883 27O 3s -0.022679 -0.000479 0.024389 0.042128 -0.004640 0.141869 27O 4s 0.057430 -0.033489 -0.045957 -0.117724 0.030148 -0.369847 27O 5s -0.005272 -0.172870 0.040960 -0.051802 -0.017231 0.063978 27O 1pz -0.000883 0.000429 0.017948 -0.019764 -0.027680 0.007990 27O 1px -0.000680 -0.008315 -0.001465 -0.014503 -0.003330 -0.030112 27O 1py 0.003508 0.003719 0.014192 -0.011445 -0.024600 0.000708 27O 2pz -0.008286 0.008991 -0.067854 0.072895 0.101330 -0.040731 27O 2px 0.002886 0.104683 0.002284 0.087548 -0.009482 0.168957 27O 2py -0.009563 -0.043095 -0.041906 0.040049 0.089647 -0.002601 27O 3pz -0.004695 -0.045987 0.137664 0.024054 0.046025 0.096267 27O 3px -0.089150 -0.114919 0.089214 0.080700 0.028287 0.103418 27O 3py 0.032541 0.224550 -0.027047 -0.054732 0.041920 -0.131100 27O 1dz2 -0.237057 -0.100356 -0.233490 0.185458 -0.269576 0.013058 27O 1dxz 0.018301 -0.078279 -0.001374 0.048618 0.060806 0.045430 27O 1dyz 0.112275 -0.018021 0.124212 -0.062815 0.061002 0.140069 27O 1dx2y2 -0.125966 -0.017536 -0.147911 0.092136 -0.104150 -0.005138 27O 1dxy 0.054714 0.105214 0.017551 -0.038756 0.111721 -0.009731 27O 2dz2 0.154148 0.080670 0.162024 -0.102866 0.180236 0.036963 27O 2dxz 0.004936 0.035695 0.035994 -0.078520 -0.109175 -0.023965 27O 2dyz -0.077318 0.006570 -0.090208 0.055629 -0.022905 -0.091157 27O 2dx2y2 0.087072 -0.012218 0.094337 -0.109620 0.057850 -0.061700 27O 2dxy -0.026995 -0.050675 0.010033 -0.003299 -0.121367 0.043275 27O 1f0 0.018285 -0.010295 0.036541 -0.067735 -0.078318 -0.014524 27O 1f+1 -0.041542 -0.026307 -0.061666 0.025443 -0.031841 -0.059592 27O 1f-1 0.002996 0.005585 0.024864 -0.024853 -0.035335 0.015113 27O 1f+2 -0.013027 0.027652 -0.032640 0.060051 0.095460 0.008123 27O 1f-2 0.027628 0.011240 0.039979 -0.061009 -0.053405 0.011755 27O 1f+3 0.049310 -0.013272 0.054869 -0.097752 -0.054120 -0.036867 27O 1f-3 -0.015266 0.010073 0.010396 -0.015401 -0.077355 0.073285 28O 1s -0.000859 -0.000085 -0.000477 -0.000567 0.000326 -0.002788 28O 2s -0.002211 0.000065 -0.001774 -0.001987 0.001156 -0.010532 28O 3s 0.012427 -0.015854 0.023270 0.024045 -0.014861 0.153072 28O 4s -0.016416 0.082807 -0.044242 -0.054898 0.036428 -0.412746 28O 5s 0.037761 0.182072 0.017502 0.017093 0.085840 0.067270 28O 1pz 0.010987 0.008116 -0.012915 0.012732 0.019215 -0.017244 28O 1px -0.003316 -0.006340 -0.007526 0.006464 0.007787 0.029444 28O 1py 0.003656 0.002387 0.021895 -0.016005 -0.032916 0.001596 28O 2pz -0.050350 -0.098245 0.034388 -0.060438 -0.077946 0.106457 28O 2px 0.038114 0.079333 0.029266 -0.019654 -0.020675 -0.176480 28O 2py -0.017199 -0.020366 -0.089814 0.049206 0.114973 -0.005548 28O 3pz 0.095840 0.084057 0.140625 0.221500 -0.044741 0.128238 28O 3px -0.055272 -0.008358 -0.048108 -0.023641 0.020739 -0.012788 28O 3py 0.040504 0.165943 0.116448 0.029128 0.049779 0.044767 28O 1dz2 0.131493 0.098796 0.208044 -0.101469 0.104634 -0.029662 28O 1dxz 0.126012 0.019750 0.115496 -0.110024 0.150579 -0.034624 28O 1dyz -0.038611 -0.027036 -0.089130 0.054402 -0.017421 -0.088007 28O 1dx2y2 0.175987 0.006194 0.127602 -0.207071 0.193141 -0.067647 28O 1dxy -0.060396 -0.091046 -0.091237 -0.028100 -0.138323 -0.058985 28O 2dz2 -0.092742 -0.042152 -0.168659 0.098020 -0.016377 0.003991 28O 2dxz -0.097727 -0.052415 -0.059107 0.067945 -0.122792 0.107000 28O 2dyz 0.028956 0.011339 0.087257 -0.053759 -0.023894 0.043978 28O 2dx2y2 -0.101078 0.004570 -0.087006 0.123118 -0.142407 -0.000104 28O 2dxy 0.032563 0.060273 0.017315 0.034784 0.147644 0.050596 28O 1f0 0.049134 -0.003446 0.099265 -0.077788 -0.056967 -0.022023 28O 1f+1 -0.000525 0.045472 -0.046788 0.035580 0.092908 -0.082087 28O 1f-1 -0.010321 0.011681 -0.020753 0.025113 0.015448 0.011377 28O 1f+2 -0.007577 -0.017165 0.017424 -0.013283 -0.024007 0.063540 28O 1f-2 0.001687 -0.014723 0.068049 -0.035057 -0.103753 -0.025812 28O 1f+3 0.030372 0.008987 0.051641 -0.031552 0.019711 0.007847 28O 1f-3 -0.009496 -0.014084 0.024752 -0.002482 -0.083888 -0.032393 29O 1s -0.002031 -0.000436 0.001741 0.001882 0.001733 0.003189 29O 2s -0.007812 -0.001818 0.006480 0.006981 0.006608 0.011153 29O 3s 0.124292 0.031241 -0.099230 -0.106477 -0.109171 -0.176357 29O 4s -0.287505 -0.074816 0.232539 0.249278 0.235692 0.334804 29O 5s -0.150099 -0.051121 0.061936 0.063408 0.226069 0.465833 29O 1pz -0.015329 0.010040 0.012238 0.014683 0.007196 0.010341 29O 1px 0.024212 0.012499 -0.016812 -0.016721 -0.015782 -0.020950 29O 1py -0.036591 -0.014134 0.029117 0.030731 0.026943 0.038799 29O 2pz 0.080303 -0.021015 -0.060729 -0.069193 -0.047503 -0.092755 29O 2px -0.129186 -0.052770 0.091319 0.093644 0.111931 0.206374 29O 2py 0.193664 0.067595 -0.148538 -0.157249 -0.154212 -0.226949 29O 3pz 0.007169 0.179749 0.010465 0.034989 0.015324 0.062275 29O 3px -0.054246 0.039714 0.055750 0.067797 -0.040507 -0.228928 29O 3py 0.027635 -0.013275 0.009149 0.009548 -0.054331 -0.014332 29O 1dz2 -0.222720 -0.363407 0.143602 0.118928 0.109225 0.026448 29O 1dxz -0.291946 0.392469 0.251144 0.322077 0.122253 0.234717 29O 1dyz 0.200109 0.503174 -0.122835 -0.081317 -0.057565 0.029052 29O 1dx2y2 -0.124929 0.151581 0.097804 0.125292 -0.044805 -0.657515 29O 1dxy -0.555677 -0.103914 0.427419 0.461136 0.118278 -0.040438 29O 2dz2 0.138179 0.254291 -0.088302 -0.070096 -0.040848 0.075404 29O 2dxz 0.193753 -0.274939 -0.167878 -0.217324 -0.056478 -0.093048 29O 2dyz -0.155139 -0.351887 0.096727 0.068822 0.047900 -0.007499 29O 2dx2y2 0.098947 -0.103518 -0.077330 -0.097196 0.021560 0.441822 29O 2dxy 0.420035 0.082446 -0.322803 -0.347997 -0.129912 -0.048111 29O 1f0 0.030971 -0.036554 -0.028693 -0.034275 -0.057070 -0.163186 29O 1f+1 -0.016601 0.076785 0.018846 0.029930 0.025946 0.085311 29O 1f-1 0.026426 -0.015271 -0.020743 -0.025257 -0.046161 -0.095543 29O 1f+2 -0.032857 -0.119166 0.018238 0.007642 0.038345 0.097597 29O 1f-2 -0.023398 0.048504 0.018663 0.026910 -0.025165 -0.052671 29O 1f+3 -0.099203 0.018346 0.074056 0.083848 0.042428 0.039817 29O 1f-3 -0.030033 -0.049494 0.020526 0.016447 0.031028 0.092311 30O 1s 0.000558 -0.001052 0.000203 0.000144 0.000211 -0.002337 30O 2s 0.001301 -0.004527 0.000627 0.000162 0.001284 -0.008908 30O 3s -0.003016 0.071592 -0.003836 0.008379 -0.028188 0.131894 30O 4s -0.005199 -0.183440 -0.000829 -0.052353 0.095654 -0.357620 30O 5s -0.093771 0.053729 -0.019199 -0.090816 0.056178 0.002865 30O 1pz 0.007305 -0.010233 0.019504 -0.022935 0.030136 -0.010283 30O 1px 0.004849 0.012027 0.004669 -0.001368 0.001291 0.025482 30O 1py 0.016140 0.018641 0.014469 -0.007369 0.015246 0.008661 30O 2pz -0.020316 0.034453 -0.061996 0.106251 -0.122283 0.078086 30O 2px -0.047848 -0.076778 -0.033096 -0.025124 0.028896 -0.157107 30O 2py -0.074240 -0.063747 -0.067369 -0.007295 -0.032527 -0.076364 30O 3pz -0.059987 0.128169 -0.042323 -0.149168 -0.085332 0.031157 30O 3px -0.003254 -0.029313 0.008732 -0.045674 0.019174 -0.017460 30O 3py 0.021902 -0.283725 0.079923 -0.002607 -0.018432 -0.039365 30O 1dz2 -0.046341 0.069839 -0.154304 0.147747 0.124703 0.012693 30O 1dxz -0.025816 0.033175 -0.114729 0.173421 0.282911 -0.024451 30O 1dyz 0.035139 0.002792 0.089757 -0.118545 -0.144619 0.081044 30O 1dx2y2 -0.051902 -0.096217 -0.080824 0.186017 0.176045 0.008755 30O 1dxy -0.008331 0.042049 -0.059128 0.051048 0.156094 0.020391 30O 2dz2 0.075611 -0.013113 0.145336 -0.121597 -0.040734 0.005419 30O 2dxz 0.004317 0.005159 0.052257 -0.088136 -0.240483 0.066227 30O 2dyz -0.025816 0.010766 -0.068947 0.095461 0.073738 -0.007164 30O 2dx2y2 0.035445 0.035801 0.063623 -0.128308 -0.101427 -0.012068 30O 2dxy -0.033836 -0.072426 0.005011 -0.035638 -0.118769 -0.071725 30O 1f0 -0.044521 -0.040708 -0.050936 0.046962 0.013953 -0.038938 30O 1f+1 0.064179 0.024911 0.060265 -0.023397 0.105835 -0.023337 30O 1f-1 0.079575 0.019978 0.097088 -0.069257 0.065873 -0.005954 30O 1f+2 -0.010146 -0.010021 0.001624 -0.014855 -0.063346 -0.000641 30O 1f-2 -0.016307 0.028037 -0.013635 0.019533 -0.016055 0.070688 30O 1f+3 -0.043017 -0.025407 -0.059447 0.029159 -0.027675 -0.053384 30O 1f-3 0.000182 0.025317 -0.015887 0.040708 0.038982 0.038136 31O 1s -0.000597 -0.001018 0.000171 0.000127 -0.000238 -0.002285 31O 2s -0.001477 -0.004424 0.000529 0.000120 -0.001390 -0.008657 31O 3s 0.005825 0.070468 -0.002761 0.008591 0.029803 0.126872 31O 4s -0.001786 -0.180310 -0.003894 -0.052435 -0.099747 -0.339739 31O 5s 0.101636 0.056955 -0.019219 -0.090475 -0.059336 0.006519 31O 1pz 0.008092 0.010111 -0.019792 0.022555 0.030160 0.009464 31O 1px 0.004092 -0.012120 -0.004752 0.001348 0.001048 -0.025159 31O 1py 0.015231 -0.019348 -0.014338 0.007493 0.014944 -0.008272 31O 2pz -0.023198 -0.033693 0.062739 -0.104647 -0.122574 -0.071581 31O 2px -0.043966 0.076649 0.033705 0.024883 0.030598 0.150544 31O 2py -0.070963 0.065656 0.067240 0.006560 -0.031270 0.071618 31O 3pz -0.060680 -0.123437 0.041521 0.149186 -0.088781 -0.027909 31O 3px -0.005015 0.026751 -0.007971 0.045643 0.020690 0.013487 31O 3py 0.025637 0.281090 -0.078553 0.003483 -0.011679 0.032134 31O 1dz2 0.047837 0.076084 -0.154028 0.148607 -0.123213 0.008771 31O 1dxz 0.026957 0.043009 -0.113720 0.175362 -0.282631 -0.028859 31O 1dyz -0.035464 -0.002745 0.089882 -0.119354 0.145655 0.080780 31O 1dx2y2 0.051101 -0.089573 -0.080680 0.186860 -0.178941 0.006791 31O 1dxy 0.008881 0.047761 -0.058908 0.051695 -0.154664 0.019430 31O 2dz2 -0.075778 -0.016515 0.145465 -0.121770 0.040360 0.008221 31O 2dxz -0.003558 -0.001790 0.051394 -0.090014 0.240729 0.066116 31O 2dyz 0.026721 0.014093 -0.068965 0.095756 -0.074051 -0.009272 31O 2dx2y2 -0.035920 0.031539 0.063656 -0.128668 0.102925 -0.009901 31O 2dxy 0.031623 -0.076617 0.004723 -0.035966 0.116906 -0.068546 31O 1f0 -0.042922 0.039855 0.050934 -0.047096 0.014622 0.039219 31O 1f+1 0.064127 -0.026869 -0.060841 0.022364 0.105313 0.021823 31O 1f-1 0.079612 -0.020385 -0.097539 0.068684 0.065295 0.004412 31O 1f+2 -0.009961 0.011728 -0.001347 0.015535 -0.062930 0.000587 31O 1f-2 -0.018483 -0.028214 0.013819 -0.019108 -0.016408 -0.068575 31O 1f+3 -0.041891 0.025451 0.059810 -0.029004 -0.026985 0.052868 31O 1f-3 -0.001201 -0.027222 0.015973 -0.040609 0.038578 -0.036574 32O 1s 0.002004 -0.000432 0.001747 0.001881 -0.001707 0.003218 32O 2s 0.007736 -0.001866 0.006525 0.006997 -0.006523 0.011250 32O 3s -0.123339 0.032704 -0.100135 -0.106988 0.107954 -0.177854 32O 4s 0.285613 -0.079298 0.234725 0.250469 -0.233290 0.337772 32O 5s 0.148857 -0.054674 0.063457 0.065648 -0.224020 0.469307 32O 1pz -0.014686 -0.010292 -0.011617 -0.013974 0.005774 -0.009340 32O 1px 0.024120 -0.013200 0.017186 0.017010 -0.016106 0.021443 32O 1py -0.036324 0.014606 -0.029467 -0.031020 0.026781 -0.039193 32O 2pz 0.076878 0.021443 0.057671 0.065698 -0.039634 0.086227 32O 2px -0.129221 0.055993 -0.093600 -0.095651 0.113363 -0.210102 32O 2py 0.192613 -0.071073 0.150487 0.158841 -0.153228 0.229159 32O 3pz 0.002518 -0.183387 -0.011436 -0.036408 0.012602 -0.065965 32O 3px -0.055060 -0.036064 -0.055736 -0.067237 -0.040706 0.229382 32O 3py 0.027773 0.008610 -0.009364 -0.009658 -0.053900 0.016089 32O 1dz2 0.221031 -0.393868 0.149649 0.122366 -0.118128 0.024174 32O 1dxz 0.292254 0.395552 0.245881 0.316227 -0.107268 0.237810 32O 1dyz -0.167336 0.509933 -0.108912 -0.064828 0.061276 0.022879 32O 1dx2y2 0.123650 0.137198 0.093426 0.119440 0.047782 -0.658259 32O 1dxy 0.560583 -0.112967 0.436718 0.469475 -0.117121 -0.047347 32O 2dz2 -0.137061 0.275675 -0.092523 -0.072561 0.048224 0.077612 32O 2dxz -0.193588 -0.276977 -0.163540 -0.212519 0.044904 -0.093578 32O 2dyz 0.133154 -0.356827 0.087364 0.057635 -0.050531 -0.000426 32O 2dx2y2 -0.098065 -0.093241 -0.074316 -0.093119 -0.024406 0.442831 32O 2dxy -0.423205 0.089188 -0.329730 -0.354265 0.128664 -0.042885 32O 1f0 0.030779 0.036091 0.028115 0.033290 -0.052490 0.157964 32O 1f+1 -0.019022 -0.076547 -0.019602 -0.030445 0.026225 -0.091533 32O 1f-1 0.027637 0.021687 0.021999 0.027065 -0.046193 0.101499 32O 1f+2 -0.029641 0.123858 -0.018384 -0.007129 0.042481 -0.103105 32O 1f-2 -0.023307 -0.048665 -0.017622 -0.025786 -0.026620 0.049324 32O 1f+3 -0.099878 -0.018226 -0.074805 -0.084739 0.039982 -0.037514 32O 1f-3 -0.030020 0.046361 -0.021960 -0.018253 0.031587 -0.090389 33O 1s 0.000897 -0.000092 -0.000469 -0.000561 -0.000352 -0.002769 33O 2s 0.002370 0.000007 -0.001753 -0.001959 -0.001239 -0.010432 33O 3s -0.015059 -0.014073 0.023087 0.023444 0.015578 0.151077 33O 4s 0.023896 0.075840 -0.044310 -0.052199 -0.036550 -0.406310 33O 5s -0.038479 0.173698 0.019017 0.019522 -0.076962 0.066581 33O 1pz 0.010080 -0.008324 0.012989 -0.012768 0.019101 0.016191 33O 1px -0.002600 0.006091 0.007448 -0.006505 0.007780 -0.029290 33O 1py 0.003544 -0.001998 -0.021625 0.016328 -0.032923 -0.001207 33O 2pz -0.045168 0.095864 -0.034866 0.061632 -0.075494 -0.101533 33O 2px 0.033567 -0.074826 -0.029064 0.018781 -0.022102 0.174461 33O 2py -0.016563 0.018869 0.088568 -0.050179 0.115599 0.003825 33O 3pz 0.095496 -0.084577 -0.139647 -0.221954 -0.049717 -0.126831 33O 3px -0.055095 0.011055 0.048490 0.023672 0.019998 0.010692 33O 3py 0.038678 -0.167043 -0.116654 -0.029940 0.044343 -0.039341 33O 1dz2 -0.130477 0.106285 0.207369 -0.102036 -0.102992 -0.035355 33O 1dxz -0.125868 0.028726 0.114840 -0.110247 -0.150961 -0.038575 33O 1dyz 0.038161 -0.030648 -0.088365 0.055272 0.016295 -0.085256 33O 1dx2y2 -0.175814 0.015576 0.127305 -0.206374 -0.194556 -0.073175 33O 1dxy 0.059017 -0.096735 -0.090948 -0.027999 0.135308 -0.055492 33O 2dz2 0.092737 -0.046782 -0.167820 0.099082 0.015761 0.009210 33O 2dxz 0.095158 -0.056547 -0.058539 0.067613 0.122787 0.107731 33O 2dyz -0.028843 0.013257 0.086358 -0.054378 0.024489 0.041548 33O 2dx2y2 0.102182 -0.002953 -0.087015 0.122667 0.142986 0.004276 33O 2dxy -0.031702 0.064644 0.017714 0.035164 -0.145749 0.048876 33O 1f0 0.049015 0.002580 -0.098018 0.078810 -0.056438 0.024321 33O 1f+1 -0.003204 -0.046712 0.046661 -0.036456 0.092846 0.079550 33O 1f-1 -0.010137 -0.011111 0.020290 -0.025168 0.014673 -0.011976 33O 1f+2 -0.005741 0.017215 -0.017886 0.013328 -0.024587 -0.062426 33O 1f-2 0.001520 0.015568 -0.066905 0.035889 -0.103165 0.026620 33O 1f+3 0.030878 -0.011031 -0.051630 0.031686 0.019013 -0.006382 33O 1f-3 -0.009675 0.016038 -0.024102 0.002880 -0.083615 0.032145 34O 1s -0.000808 0.000417 -0.000508 -0.000667 0.000199 -0.002576 34O 2s -0.002465 0.001122 -0.001820 -0.002630 0.000309 -0.009678 34O 3s 0.024287 -0.000336 0.023907 0.040809 0.004653 0.137939 34O 4s -0.061349 -0.034699 -0.043587 -0.112733 -0.031450 -0.356444 34O 5s 0.010159 -0.175889 0.045828 -0.046847 0.009392 0.059641 34O 1pz -0.000810 0.000391 -0.017778 0.019953 -0.027591 -0.008442 34O 1px 0.000459 0.008651 0.001587 0.014565 -0.003154 0.029139 34O 1py 0.003105 -0.003177 -0.014222 0.011433 -0.024614 -0.000259 34O 2pz -0.008517 -0.011844 0.067103 -0.073740 0.100816 0.042042 34O 2px -0.002313 -0.107346 -0.000662 -0.084962 -0.012340 -0.161219 34O 2py -0.007987 0.041048 0.041739 -0.040593 0.090547 0.000657 34O 3pz -0.004380 0.044931 -0.138119 -0.024405 0.047519 -0.095821 34O 3px -0.084329 0.116551 -0.088855 -0.079217 0.028938 -0.099976 34O 3py 0.028968 -0.227050 0.027253 0.054303 0.036856 0.125487 34O 1dz2 0.234722 -0.104948 -0.236412 0.182362 0.269018 0.006355 34O 1dxz -0.019578 -0.076198 -0.001581 0.048435 -0.062227 0.044428 34O 1dyz -0.112534 -0.015897 0.123957 -0.063091 -0.061969 0.139739 34O 1dx2y2 0.125725 -0.020001 -0.148226 0.091926 0.104492 -0.007803 34O 1dxy -0.052858 0.107501 0.018198 -0.038265 -0.109542 -0.007740 34O 2dz2 -0.151662 0.084177 0.163580 -0.101338 -0.179407 0.039806 34O 2dxz -0.004164 0.032160 0.035901 -0.078854 0.109659 -0.022964 34O 2dyz 0.077251 0.005876 -0.090114 0.055832 0.023464 -0.090830 34O 2dx2y2 -0.088700 -0.011985 0.095007 -0.108778 -0.058698 -0.056795 34O 2dxy 0.026348 -0.053504 0.009325 -0.004209 0.120355 0.041033 34O 1f0 0.018734 0.013255 -0.036539 0.068178 -0.077911 0.013707 34O 1f+1 -0.039535 0.026608 0.062230 -0.024787 -0.031627 0.059174 34O 1f-1 0.002515 -0.004353 -0.024880 0.024883 -0.035284 -0.014802 34O 1f+2 -0.013592 -0.030649 0.032292 -0.060538 0.094638 -0.007145 34O 1f-2 0.027526 -0.009245 -0.039915 0.061401 -0.053574 -0.011827 34O 1f+3 0.050779 0.015699 -0.054625 0.098026 -0.053612 0.034346 34O 1f-3 -0.016992 -0.007714 -0.010442 0.015672 -0.077424 -0.071215 35O 1s 0.000122 0.000520 0.000449 0.000611 0.000431 -0.002365 35O 2s -0.000361 0.002506 0.001659 0.002405 0.001821 -0.009112 35O 3s 0.024696 -0.043362 -0.018663 -0.030782 -0.033053 0.133999 35O 4s -0.097806 0.116496 0.031121 0.056424 0.108658 -0.345491 35O 5s -0.152027 -0.050320 -0.095266 -0.133939 0.119843 0.012031 35O 1pz -0.005039 -0.007238 0.009115 -0.014534 -0.016273 -0.003942 35O 1px 0.003244 -0.012343 0.001528 -0.016587 -0.016830 0.031757 35O 1py 0.014585 -0.014059 -0.024596 0.011267 0.022554 0.011526 35O 2pz 0.019390 0.006143 -0.044496 0.032262 0.059945 0.014966 35O 2px -0.079436 0.060380 -0.029984 0.038738 0.101489 -0.181056 35O 2py -0.086693 0.052989 0.071592 -0.064555 -0.056038 -0.069835 35O 3pz 0.050734 0.096946 0.159421 0.129856 0.043419 -0.059806 35O 3px 0.024464 0.077256 0.084728 0.056593 0.082433 -0.041680 35O 3py 0.001084 0.200453 0.009627 0.148529 -0.047072 -0.064509 35O 1dz2 -0.038635 -0.054573 0.243560 -0.175162 0.313282 -0.061095 35O 1dxz -0.003424 -0.076452 -0.003362 -0.125019 0.011073 0.010062 35O 1dyz -0.001813 0.038354 -0.142890 0.117824 -0.210100 -0.054747 35O 1dx2y2 -0.050431 0.038536 0.142237 -0.034508 0.071345 -0.018589 35O 1dxy -0.018451 -0.035302 0.072291 -0.071685 0.201015 -0.029169 35O 2dz2 0.049739 0.009912 -0.169546 0.111490 -0.217336 0.085574 35O 2dxz 0.022902 0.027373 -0.028247 0.094144 0.031171 -0.023031 35O 2dyz 0.003330 -0.033871 0.088706 -0.076520 0.155136 0.024501 35O 2dx2y2 0.037964 -0.010342 -0.117556 0.072509 0.003839 -0.032152 35O 2dxy -0.043567 0.062526 -0.016264 0.021869 -0.154897 -0.049780 35O 1f0 -0.023040 0.010347 0.007425 -0.017919 -0.034166 0.033990 35O 1f+1 0.037484 -0.017658 -0.062471 0.040786 -0.028487 0.056733 35O 1f-1 0.027525 -0.015617 -0.034770 0.039852 0.024285 0.027970 35O 1f+2 0.048730 -0.020840 -0.066058 0.055515 0.047302 -0.030266 35O 1f-2 0.009718 -0.000404 0.022775 0.003519 0.054845 -0.032884 35O 1f+3 -0.074980 0.039549 0.077946 -0.087435 -0.096950 -0.013560 35O 1f-3 0.013273 -0.044233 0.009082 -0.028443 0.054731 0.079946 696 697 698 699 700 701 6.49767 6.50383 6.50918 6.51449 6.55178 6.56454 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s -0.000777 -0.000343 0.000532 -0.001703 0.000124 0.000018 0Rh 2s 0.005065 0.002316 -0.003569 0.011294 -0.000850 -0.000490 0Rh 3s -0.001747 -0.000728 0.001139 -0.003725 0.000258 -0.000178 0Rh 4s -0.033344 -0.015164 0.023404 -0.074225 0.005556 0.002928 0Rh 5s 0.094619 0.042933 -0.066406 0.210823 -0.015600 -0.008859 0Rh 6s -0.117597 -0.053361 0.082851 -0.263019 0.018163 0.014730 0Rh 7s 0.131318 0.081952 -0.109537 0.318416 -0.021136 -0.015888 0Rh 8s 0.069332 0.057814 -0.080849 0.255480 -0.001421 -0.077646 0Rh 1pz 0.001166 0.003580 0.000167 -0.006418 -0.000020 -0.001089 0Rh 1px 0.004440 0.004189 -0.004545 0.010671 -0.003971 -0.010274 0Rh 1py -0.005086 0.004416 -0.001422 0.002877 0.000220 0.043450 0Rh 2pz -0.004999 -0.015104 -0.000634 0.026787 0.000082 0.004604 0Rh 2px -0.018447 -0.017499 0.018924 -0.044296 0.016736 0.043344 0Rh 2py 0.021457 -0.018598 0.005960 -0.012028 -0.000927 -0.183437 0Rh 3pz 0.018828 0.051536 0.001003 -0.085614 -0.000193 -0.016104 0Rh 3px 0.057058 0.056369 -0.059629 0.136685 -0.057252 -0.149281 0Rh 3py -0.073257 0.063139 -0.019441 0.038793 0.003195 0.634151 0Rh 4pz -0.030966 -0.066973 -0.000750 0.097442 -0.000009 0.023993 0Rh 4px -0.057976 -0.066615 0.066144 -0.142913 0.080446 0.213927 0Rh 4py 0.096448 -0.085177 0.022300 -0.045003 -0.004725 -0.915068 0Rh 5pz 0.022030 0.002565 0.017906 0.001438 0.000449 -0.018785 0Rh 5px -0.020533 0.011102 -0.002867 -0.005701 -0.050704 -0.148662 0Rh 5py -0.013953 0.036234 0.006373 0.000725 0.004459 0.643078 0Rh 6pz 0.073846 0.626888 -0.403210 -0.513134 -0.006709 0.013339 0Rh 6px 0.434961 0.170072 -0.173241 0.242683 -0.010341 0.045695 0Rh 6py -0.724984 0.238352 -0.229733 0.245505 -0.017825 -0.174009 0Rh 1dz2 0.001700 0.003854 -0.003754 0.001993 0.007537 0.000070 0Rh 1dxz 0.001760 -0.002127 0.000553 0.009634 0.002557 -0.000251 0Rh 1dyz 0.000796 0.002760 -0.002402 0.002411 -0.003824 -0.001345 0Rh 1dx2y2 -0.008121 -0.003328 0.004729 -0.012853 0.006636 -0.001398 0Rh 1dxy 0.001327 -0.002133 0.003639 -0.008638 0.001042 0.005154 0Rh 2dz2 -0.000145 -0.001733 0.000491 0.000499 -0.001210 -0.000094 0Rh 2dxz 0.000123 0.001277 -0.000861 -0.001825 -0.000383 0.000069 0Rh 2dyz -0.000237 -0.002235 -0.000558 -0.000843 0.000571 -0.000348 0Rh 2dx2y2 0.001988 0.000503 -0.001093 0.002083 -0.001083 -0.000310 0Rh 2dxy -0.000877 0.000264 -0.001725 0.002571 -0.000134 0.000210 0Rh 3dz2 -0.008931 -0.012838 0.018967 -0.013912 -0.037062 0.000059 0Rh 3dxz -0.010705 0.005487 0.001286 -0.045530 -0.012769 0.001019 0Rh 3dyz -0.003348 -0.003920 0.016948 -0.009334 0.018943 0.009487 0Rh 3dx2y2 0.035985 0.016354 -0.021225 0.062602 -0.032404 0.009634 0Rh 3dxy -0.002929 0.010868 -0.011702 0.036076 -0.005286 -0.030436 0Rh 4dz2 0.025047 0.025056 -0.053949 0.041914 0.097811 -0.000291 0Rh 4dxz 0.031494 -0.008817 -0.007754 0.120048 0.034250 -0.001719 0Rh 4dyz 0.008455 -0.005632 -0.057843 0.020786 -0.049130 -0.027725 0Rh 4dx2y2 -0.092087 -0.044132 0.053264 -0.167629 0.083841 -0.028512 0Rh 4dxy 0.003304 -0.031269 0.021711 -0.090143 0.013939 0.082868 0Rh 5dz2 -0.076566 0.012647 0.213036 -0.122599 -0.197634 -0.001222 0Rh 5dxz -0.093658 0.002075 0.028548 -0.308597 -0.071380 -0.005265 0Rh 5dyz -0.013719 0.192036 0.337624 -0.009300 0.089306 0.076339 0Rh 5dx2y2 0.221017 0.130640 -0.099482 0.428974 -0.155969 0.083934 0Rh 5dxy -0.005167 0.133725 0.034911 0.211389 -0.027738 -0.191534 0Rh 1f0 0.006482 0.014013 0.002815 -0.003845 -0.001658 0.008189 0Rh 1f+1 0.006246 0.008364 -0.020038 -0.008593 0.002049 0.001776 0Rh 1f-1 0.000198 0.008523 0.010463 0.003459 0.001066 0.008081 0Rh 1f+2 0.004706 -0.004049 0.013325 0.005631 0.002212 0.007336 0Rh 1f-2 -0.008933 -0.017995 -0.022262 0.002897 -0.000200 0.002931 0Rh 1f+3 0.014400 0.002347 0.002485 -0.001333 0.000313 0.001871 0Rh 1f-3 -0.019701 0.019883 0.003850 0.008359 0.000380 -0.005777 1Rh 1s 0.000746 0.000315 -0.000519 0.001720 0.000122 0.000020 1Rh 2s -0.004876 -0.002133 0.003482 -0.011403 -0.000831 -0.000496 1Rh 3s 0.001673 0.000662 -0.001110 0.003764 0.000252 -0.000169 1Rh 4s 0.032097 0.013962 -0.022832 0.074943 0.005435 0.002975 1Rh 5s -0.091152 -0.039576 0.064797 -0.212831 -0.015257 -0.008984 1Rh 6s 0.113685 0.049510 -0.080955 0.265357 0.017742 0.014827 1Rh 7s -0.126053 -0.077297 0.106300 -0.322044 -0.020725 -0.014765 1Rh 8s -0.069192 -0.057842 0.081165 -0.255672 -0.000932 -0.076925 1Rh 1pz 0.001342 0.003888 0.000102 -0.006725 0.000117 0.001104 1Rh 1px 0.003684 0.003495 -0.004232 0.010990 0.003948 0.010365 1Rh 1py -0.005159 0.004426 -0.001345 0.002980 -0.000157 -0.043405 1Rh 2pz -0.005741 -0.016401 -0.000362 0.028079 -0.000488 -0.004670 1Rh 2px -0.015263 -0.014575 0.017608 -0.045639 -0.016639 -0.043727 1Rh 2py 0.021763 -0.018643 0.005636 -0.012461 0.000660 0.183244 1Rh 3pz 0.021351 0.055950 0.000074 -0.090018 0.001567 0.016364 1Rh 3px 0.046258 0.046411 -0.055162 0.141245 0.056939 0.150553 1Rh 3py -0.074301 0.063301 -0.018311 0.040264 -0.002271 -0.633484 1Rh 4pz -0.034476 -0.073142 0.000555 0.103625 -0.001844 -0.024452 1Rh 4px -0.043019 -0.052680 0.059955 -0.149231 -0.080072 -0.215550 1Rh 4py 0.097905 -0.085434 0.020636 -0.047053 0.003397 0.914107 1Rh 5pz 0.024169 0.006435 0.017099 -0.002494 0.000390 0.019197 1Rh 5px -0.029495 0.002354 0.000812 -0.001950 0.050551 0.149185 1Rh 5py -0.014846 0.036477 0.007638 0.002013 -0.003554 -0.642356 1Rh 6pz 0.071433 0.628435 -0.403826 -0.519951 0.011518 -0.012055 1Rh 6px 0.429164 0.168422 -0.170243 0.243088 0.011469 -0.039985 1Rh 6py -0.724955 0.235284 -0.233351 0.247401 0.017279 0.172030 1Rh 1dz2 -0.001499 -0.003723 0.003686 -0.001985 0.007498 0.000006 1Rh 1dxz -0.001567 0.002292 -0.000654 -0.009778 0.002621 -0.000248 1Rh 1dyz -0.000589 -0.002711 0.002391 -0.002345 -0.003792 -0.001402 1Rh 1dx2y2 0.007883 0.003071 -0.004612 0.012971 0.006627 -0.001384 1Rh 1dxy -0.001387 0.002027 -0.003632 0.008731 0.001035 0.005110 1Rh 2dz2 0.000085 0.001698 -0.000466 -0.000522 -0.001189 -0.000065 1Rh 2dxz -0.000157 -0.001317 0.000883 0.001884 -0.000409 0.000062 1Rh 2dyz 0.000155 0.002224 0.000558 0.000803 0.000561 -0.000312 1Rh 2dx2y2 -0.001941 -0.000450 0.001070 -0.002090 -0.001084 -0.000306 1Rh 2dxy 0.000883 -0.000240 0.001722 -0.002601 -0.000132 0.000237 1Rh 3dz2 0.008102 0.012283 -0.018709 0.013977 -0.036955 0.000276 1Rh 3dxz 0.009790 -0.006213 -0.000832 0.046039 -0.013004 0.001042 1Rh 3dyz 0.002585 0.003698 -0.016879 0.009164 0.018817 0.009627 1Rh 3dx2y2 -0.034895 -0.015187 0.020683 -0.063225 -0.032349 0.009530 1Rh 3dxy 0.003228 -0.010393 0.011677 -0.036442 -0.005255 -0.030319 1Rh 4dz2 -0.023108 -0.023785 0.053383 -0.042136 0.097620 -0.000756 1Rh 4dxz -0.029271 0.010504 0.006662 -0.121117 0.034792 -0.001825 1Rh 4dyz -0.006692 0.006169 0.057656 -0.020477 -0.048810 -0.027905 1Rh 4dx2y2 0.089503 0.041367 -0.051973 0.169188 0.083674 -0.028179 1Rh 4dxy -0.003991 0.030155 -0.021690 0.090967 0.013863 0.082680 1Rh 5dz2 0.073867 -0.014139 -0.212371 0.123199 -0.197556 -0.000988 1Rh 5dxz 0.090263 -0.004114 -0.026873 0.309419 -0.072426 -0.004782 1Rh 5dyz 0.010960 -0.192807 -0.337220 0.009185 0.088686 0.074912 1Rh 5dx2y2 -0.217619 -0.126977 0.097848 -0.431415 -0.155440 0.082677 1Rh 5dxy 0.005850 -0.132311 -0.034608 -0.212315 -0.027553 -0.191951 1Rh 1f0 0.006299 0.013830 0.002931 -0.003721 0.001687 -0.008134 1Rh 1f+1 0.006434 0.008492 -0.020076 -0.008702 -0.001973 -0.001817 1Rh 1f-1 0.000205 0.008580 0.010455 0.003379 -0.001019 -0.007982 1Rh 1f+2 0.004982 -0.003787 0.013226 0.005558 -0.002278 -0.007351 1Rh 1f-2 -0.008860 -0.017901 -0.022274 0.002868 0.000181 -0.003094 1Rh 1f+3 0.014722 0.002618 0.002350 -0.001521 -0.000287 -0.001830 1Rh 1f-3 -0.019558 0.019963 0.003736 0.008267 -0.000359 0.005816 2C 1s -0.000349 -0.000128 -0.000884 -0.000447 -0.000116 0.000229 2C 2s -0.001002 0.001156 -0.002729 -0.000805 -0.000053 0.000584 2C 3s 0.012523 -0.025796 0.055966 -0.011671 -0.001190 -0.015737 2C 4s -0.102835 0.194176 -0.276396 0.060223 -0.003048 0.054946 2C 5s 0.037029 -0.097393 0.611401 0.114395 -0.097160 -0.268619 2C 1pz -0.004449 -0.009886 0.010373 0.005106 -0.007341 -0.000201 2C 1px -0.006375 -0.007268 -0.004996 0.001467 -0.005707 0.007440 2C 1py 0.020817 -0.003215 0.002276 -0.007072 0.012979 -0.000297 2C 2pz -0.014719 0.077992 -0.166620 -0.025841 0.035954 0.009463 2C 2px 0.046490 0.067231 0.069372 -0.016755 0.042382 -0.061082 2C 2py -0.182195 0.044605 -0.055479 0.066449 -0.106395 0.007571 2C 3pz -0.013461 -0.027265 0.071979 0.013535 -0.036601 -0.017280 2C 3px 0.025003 -0.007932 0.073112 0.075150 -0.017814 -0.030003 2C 3py 0.026628 0.009763 0.053214 0.011017 0.021394 -0.040472 2C 1dz2 -0.011535 -0.009768 -0.005304 0.011062 -0.009259 0.006742 2C 1dxz -0.015717 -0.001303 0.014693 0.000998 -0.008832 -0.010722 2C 1dyz 0.010021 -0.005202 0.000170 -0.000775 0.003707 0.000025 2C 1dx2y2 -0.013481 -0.000080 0.001169 0.003093 -0.007193 -0.000070 2C 1dxy 0.001797 0.002181 0.008791 -0.004054 0.004038 -0.006660 2C 2dz2 0.030667 0.008718 -0.079066 -0.025250 0.030979 0.033954 2C 2dxz -0.026936 0.056191 0.045457 0.012080 -0.000177 -0.054033 2C 2dyz -0.051946 0.013203 -0.051588 0.009706 -0.022715 0.014014 2C 2dx2y2 0.056369 -0.006256 0.023466 -0.002016 0.028812 0.007533 2C 2dxy 0.029116 0.033415 0.038922 -0.015111 0.020755 -0.056339 2C 1f0 0.007227 -0.012161 -0.029883 0.004107 0.001349 0.027338 2C 1f+1 -0.005687 0.009812 0.018034 -0.003831 0.002498 -0.017744 2C 1f-1 -0.000126 -0.000219 -0.019158 -0.000317 0.001450 0.010175 2C 1f+2 -0.002965 0.007322 0.021818 -0.003436 0.000225 -0.015706 2C 1f-2 0.001321 0.020704 0.026791 0.002770 0.002053 -0.027555 2C 1f+3 -0.012083 0.008170 0.016279 0.002618 -0.004763 -0.015960 2C 1f-3 0.010017 -0.001709 -0.006701 -0.004188 0.001769 0.006579 3C 1s 0.000451 0.000550 0.000441 -0.000201 0.000034 -0.000412 3C 2s 0.002340 0.001304 0.000775 -0.001100 0.000280 -0.000661 3C 3s -0.032187 -0.027794 -0.009038 0.026527 -0.014298 0.010749 3C 4s 0.196426 0.152524 0.002652 -0.174859 0.092731 -0.018081 3C 5s -0.402879 -0.198333 -0.336827 0.113620 0.026495 0.264016 3C 1pz 0.001229 -0.019237 0.008949 0.008069 -0.015129 0.002462 3C 1px -0.002100 0.000315 0.009168 0.005168 -0.003858 -0.015220 3C 1py 0.013428 -0.004184 0.005362 -0.004016 -0.006625 -0.001153 3C 2pz -0.000181 0.193073 -0.064753 -0.092351 0.150018 -0.013807 3C 2px 0.008931 -0.019729 -0.096084 -0.090091 0.045389 0.144670 3C 2py -0.104422 -0.039091 -0.058877 0.078626 -0.003837 0.017753 3C 3pz 0.002115 -0.022233 0.003694 -0.017908 -0.030942 0.020245 3C 3px -0.028668 -0.035644 -0.070630 0.058296 -0.004208 0.023933 3C 3py 0.081890 0.009047 0.050510 -0.013372 -0.026106 -0.041068 3C 1dz2 0.007009 -0.007773 0.008555 0.007534 -0.006855 -0.007138 3C 1dxz -0.000829 -0.011302 0.002308 -0.002859 -0.005294 0.010694 3C 1dyz 0.002366 0.005392 -0.011460 -0.008629 0.005806 0.010280 3C 1dx2y2 0.010862 -0.017083 0.004119 -0.003013 -0.012307 0.010180 3C 1dxy 0.008533 0.003613 0.008402 0.010667 -0.005418 -0.017070 3C 2dz2 -0.028212 0.070780 -0.020969 -0.008712 0.045665 -0.028945 3C 2dxz 0.015734 0.013161 -0.036718 -0.025843 0.024943 0.045838 3C 2dyz -0.013443 -0.049845 -0.036183 0.022049 -0.023321 0.047889 3C 2dx2y2 -0.028329 -0.045361 -0.035078 0.022815 -0.005693 0.046927 3C 2dxy -0.016188 0.004928 0.070792 0.048651 -0.026425 -0.107764 3C 1f0 0.000191 -0.004274 0.006898 0.010496 -0.006112 -0.008256 3C 1f+1 0.000442 -0.005687 0.009029 0.002419 -0.002926 -0.009902 3C 1f-1 0.000756 -0.013152 -0.010822 -0.006919 -0.002246 0.023196 3C 1f+2 -0.008237 -0.013168 -0.025281 -0.013152 0.002401 0.042113 3C 1f-2 -0.001744 0.006541 0.006912 0.010585 -0.001344 -0.022011 3C 1f+3 0.005005 -0.016804 -0.018135 -0.011548 -0.000213 0.041276 3C 1f-3 0.001033 -0.023641 -0.027536 -0.011443 0.001420 0.053346 4C 1s 0.006777 -0.015438 0.011354 0.004293 -0.001123 0.000224 4C 2s 0.009020 -0.020913 0.015692 0.005703 -0.001798 0.000614 4C 3s 0.029539 -0.039815 0.017155 0.036203 0.001971 -0.004664 4C 4s -0.392230 0.828346 -0.520837 -0.320880 0.050909 -0.007053 4C 5s -0.201100 0.416804 -0.573843 -0.205409 0.030635 0.192477 4C 1pz 0.001442 0.019381 -0.014144 -0.003887 0.007866 0.006714 4C 1px -0.012528 -0.000089 0.001469 -0.021212 0.005549 -0.027047 4C 1py -0.005423 0.011264 -0.008818 -0.010537 -0.003623 -0.005762 4C 2pz -0.221938 0.330473 -0.425782 0.081681 0.013633 0.072755 4C 2px -0.219942 0.105205 0.233504 -0.420254 0.001483 -0.173792 4C 2py -0.090417 0.260791 -0.175626 -0.142060 -0.014064 -0.026793 4C 3pz 0.034694 0.143488 0.200309 0.068828 -0.033598 -0.104580 4C 3px -0.035074 -0.233944 -0.294312 -0.259150 0.004398 0.092889 4C 3py -0.121161 -0.039403 0.023459 0.014297 -0.107430 -0.018508 4C 1dz2 -0.004538 -0.054366 0.032801 0.047741 -0.012864 0.009762 4C 1dxz -0.000269 -0.072092 0.071540 -0.004888 -0.010370 -0.017162 4C 1dyz 0.010623 0.008305 -0.002383 -0.010278 0.004254 -0.003850 4C 1dx2y2 -0.079038 0.107694 -0.084419 -0.034674 0.003843 -0.000626 4C 1dxy -0.022325 0.058507 -0.030207 -0.027173 0.004597 -0.013080 4C 2dz2 0.183150 -0.137430 -0.048653 0.035756 0.117283 0.066983 4C 2dxz 0.088014 -0.036091 0.323304 -0.079983 0.061830 -0.122661 4C 2dyz -0.028873 -0.053683 0.040583 0.004227 -0.056756 0.013935 4C 2dx2y2 -0.051131 0.219803 -0.140056 -0.104036 0.082935 -0.001519 4C 2dxy -0.057165 0.143065 0.113924 -0.082201 0.004822 -0.106365 4C 1f0 0.054358 -0.010638 0.067327 -0.004983 0.035559 -0.049113 4C 1f+1 0.103304 -0.084666 0.021073 0.000814 0.029269 0.042581 4C 1f-1 0.001557 -0.039572 0.017914 0.014083 -0.000539 -0.001887 4C 1f+2 -0.035252 0.051477 -0.100159 -0.004668 0.019257 0.041917 4C 1f-2 -0.043273 -0.026504 -0.020516 0.028468 -0.018643 0.034111 4C 1f+3 0.099790 -0.000630 -0.071989 0.008583 0.026027 0.039487 4C 1f-3 -0.043459 -0.100523 0.022372 0.074592 -0.043816 0.017501 5C 1s -0.018488 -0.004466 0.001247 0.008388 -0.000988 -0.000435 5C 2s -0.024946 -0.006040 0.001539 0.011714 -0.001831 -0.000876 5C 3s -0.070430 -0.006064 0.004526 0.002284 0.027882 0.016926 5C 4s 1.068083 0.178075 -0.080221 -0.368237 -0.079016 -0.044173 5C 5s 0.626919 0.193362 0.134608 -0.286405 0.009674 -0.093365 5C 1pz 0.016922 0.000260 -0.002049 0.000432 0.004324 -0.015237 5C 1px 0.003757 -0.000504 0.007290 -0.018317 0.002559 0.048221 5C 1py -0.026587 0.000055 -0.002167 0.003438 0.008789 0.009896 5C 2pz 0.334398 0.116502 0.029034 0.024254 0.053271 -0.106700 5C 2px -0.010147 -0.158897 -0.021090 -0.573710 0.035366 0.324736 5C 2py -0.426789 -0.264697 0.057137 0.173522 -0.065309 0.052091 5C 3pz -0.048126 -0.002127 -0.259625 0.011438 0.082220 0.102331 5C 3px -0.073726 0.208861 0.337355 -0.127701 0.019325 -0.132756 5C 3py 0.001778 0.103245 0.149591 -0.012880 0.004944 -0.108113 5C 1dz2 -0.058509 -0.038331 0.018482 0.056942 -0.011828 -0.012805 5C 1dxz -0.097702 -0.044920 0.014125 0.018752 -0.006559 0.017962 5C 1dyz -0.052521 0.002092 -0.005395 0.001504 0.005377 0.012645 5C 1dx2y2 0.133566 0.004479 0.009536 -0.068053 -0.001888 0.015218 5C 1dxy 0.050366 0.015007 0.002133 -0.000171 -0.002653 -0.026221 5C 2dz2 -0.128890 0.105755 0.007672 0.090441 0.113771 -0.076336 5C 2dxz -0.205018 -0.092436 -0.072909 -0.025857 0.044573 0.103785 5C 2dyz -0.036688 -0.106272 -0.032370 -0.078364 -0.038699 0.119087 5C 2dx2y2 0.181301 0.060681 -0.144744 -0.250221 0.118999 0.148553 5C 2dxy 0.116774 0.188113 0.115897 0.090423 0.021259 -0.216788 5C 1f0 -0.038388 0.003558 -0.047271 -0.020901 0.020320 0.052029 5C 1f+1 -0.096306 0.074521 -0.027282 0.018067 0.043618 -0.032517 5C 1f-1 -0.000893 0.010742 0.004234 -0.008018 -0.022115 -0.029281 5C 1f+2 0.055888 -0.020066 0.072383 0.042733 -0.028745 -0.093767 5C 1f-2 0.096534 0.035351 -0.006290 -0.009787 -0.009529 0.011872 5C 1f+3 -0.070546 0.022519 0.044641 0.097725 -0.006471 -0.099466 5C 1f-3 0.074792 0.116953 -0.025431 -0.029258 0.044838 -0.081220 6C 1s 0.018812 0.004678 -0.001363 -0.008440 -0.000926 -0.000413 6C 2s 0.025496 0.006400 -0.001744 -0.011775 -0.001745 -0.000862 6C 3s 0.067915 0.003589 -0.002891 -0.001691 0.027860 0.016893 6C 4s -1.074459 -0.177411 0.079771 0.366948 -0.081497 -0.043671 6C 5s -0.631434 -0.202013 -0.136453 0.292385 0.008204 -0.099943 6C 1pz 0.017182 0.000512 -0.002209 0.000550 -0.004389 0.015178 6C 1px 0.004476 -0.000555 0.007318 -0.018066 -0.002400 -0.048324 6C 1py -0.027194 -0.000294 -0.001927 0.003145 -0.008703 -0.009775 6C 2pz 0.337848 0.119152 0.027644 0.021695 -0.051413 0.109985 6C 2px -0.007936 -0.153767 -0.021784 -0.577470 -0.034706 -0.327956 6C 2py -0.432891 -0.270058 0.059161 0.179211 0.062314 -0.055644 6C 3pz -0.052334 -0.008274 -0.258773 0.011647 -0.081270 -0.103662 6C 3px -0.077335 0.206861 0.339139 -0.131853 -0.019198 0.133969 6C 3py 0.009747 0.112805 0.148042 -0.012603 -0.005954 0.109349 6C 1dz2 0.059782 0.039231 -0.018828 -0.057253 -0.011490 -0.012819 6C 1dxz 0.099273 0.045901 -0.014676 -0.018918 -0.006322 0.018267 6C 1dyz 0.053033 -0.001869 0.005060 -0.001433 0.005469 0.012796 6C 1dx2y2 -0.135872 -0.006165 -0.008874 0.068391 -0.002261 0.015171 6C 1dxy -0.051049 -0.015297 -0.001704 -0.000030 -0.002819 -0.026742 6C 2dz2 0.129404 -0.105864 -0.007738 -0.090150 0.113807 -0.076788 6C 2dxz 0.206164 0.092534 0.073086 0.024000 0.045385 0.105192 6C 2dyz 0.036238 0.104988 0.033221 0.079295 -0.038852 0.119176 6C 2dx2y2 -0.183023 -0.062492 0.145408 0.252641 0.117248 0.147973 6C 2dxy -0.116848 -0.188285 -0.115778 -0.087559 0.020278 -0.219144 6C 1f0 -0.038477 0.003480 -0.047143 -0.020638 -0.020370 -0.052517 6C 1f+1 -0.096895 0.074033 -0.027318 0.017962 -0.043554 0.032529 6C 1f-1 -0.001033 0.010730 0.004299 -0.008248 0.022091 0.029157 6C 1f+2 0.055532 -0.020188 0.072512 0.042593 0.028610 0.094031 6C 1f-2 0.097379 0.035535 -0.006456 -0.009697 0.009774 -0.011345 6C 1f+3 -0.071453 0.022193 0.044897 0.097549 0.006018 0.099568 6C 1f-3 0.075165 0.117551 -0.025566 -0.030322 -0.044503 0.081315 7C 1s -0.006618 0.015657 -0.011453 -0.004473 -0.001086 0.000213 7C 2s -0.008757 0.021274 -0.015840 -0.006027 -0.001760 0.000584 7C 3s -0.034134 0.037010 -0.016653 -0.034001 0.003601 -0.004508 7C 4s 0.406475 -0.826592 0.522640 0.320686 0.041838 -0.007156 7C 5s 0.196376 -0.419060 0.581631 0.207333 0.027672 0.195172 7C 1pz 0.000519 0.019307 -0.014084 -0.004231 -0.007570 -0.006725 7C 1px -0.012297 -0.000002 0.001336 -0.021201 -0.005560 0.026758 7C 1py -0.005857 0.011342 -0.008891 -0.010781 0.003761 0.005597 7C 2pz -0.205686 0.339542 -0.430131 0.077802 -0.014634 -0.073444 7C 2px -0.219507 0.103240 0.233602 -0.421921 -0.000107 0.176593 7C 2py -0.081820 0.267205 -0.179543 -0.145036 0.013834 0.027334 7C 3pz 0.034894 0.143127 0.203930 0.076756 0.033154 0.107118 7C 3px -0.036823 -0.234184 -0.295246 -0.260935 -0.003415 -0.093658 7C 3py -0.121658 -0.039211 0.025322 0.018431 0.107295 0.019136 7C 1dz2 0.004608 0.055160 -0.033248 -0.048464 -0.012575 0.009779 7C 1dxz 0.000718 0.073092 -0.071927 0.004163 -0.010019 -0.017331 7C 1dyz -0.010422 -0.008568 0.002326 0.010203 0.004193 -0.003974 7C 1dx2y2 0.078363 -0.109076 0.085107 0.035895 0.003249 -0.000494 7C 1dxy 0.021991 -0.058780 0.030744 0.027849 0.004417 -0.012934 7C 2dz2 -0.178947 0.138653 0.047650 -0.035442 0.117371 0.067838 7C 2dxz -0.084131 0.039126 -0.324481 0.078593 0.061401 -0.123962 7C 2dyz 0.034325 0.056299 -0.041557 -0.004773 -0.056883 0.014654 7C 2dx2y2 0.047837 -0.222302 0.141821 0.104640 0.082069 -0.002031 7C 2dxy 0.058156 -0.141714 -0.114231 0.081292 0.004081 -0.107685 7C 1f0 0.054644 -0.011202 0.067107 -0.004683 -0.035741 0.048994 7C 1f+1 0.102627 -0.084549 0.021547 0.000491 -0.029632 -0.042335 7C 1f-1 0.002189 -0.039245 0.018048 0.014145 0.000189 0.001817 7C 1f+2 -0.035417 0.052237 -0.100312 -0.005050 -0.018784 -0.041966 7C 1f-2 -0.042998 -0.026780 -0.020505 0.028159 0.018473 -0.034149 7C 1f+3 0.099876 -0.000106 -0.072573 0.008164 -0.026202 -0.039879 7C 1f-3 -0.043236 -0.101307 0.022876 0.074986 0.043344 -0.017942 8C 1s -0.000443 -0.000547 -0.000462 0.000195 0.000032 -0.000422 8C 2s -0.002358 -0.001340 -0.000791 0.001115 0.000270 -0.000693 8C 3s 0.033078 0.029372 0.008627 -0.027722 -0.013931 0.011955 8C 4s -0.200982 -0.160013 0.000048 0.182255 0.090255 -0.023692 8C 5s 0.414686 0.217668 0.337714 -0.116391 0.025784 0.273160 8C 1pz 0.001170 -0.019312 0.008979 0.008243 0.015011 -0.002484 8C 1px -0.002189 0.000238 0.009201 0.005172 0.003808 0.015196 8C 1py 0.013548 -0.004061 0.005263 -0.004160 0.006661 0.001230 8C 2pz 0.000924 0.194698 -0.065054 -0.095853 -0.148122 0.014806 8C 2px 0.010011 -0.018232 -0.096300 -0.090895 -0.044492 -0.143628 8C 2py -0.106375 -0.042489 -0.057509 0.083162 0.002587 -0.019983 8C 3pz 0.000495 -0.023988 0.003537 -0.017985 0.031124 -0.020329 8C 3px -0.030457 -0.037368 -0.070676 0.059694 0.004269 -0.024473 8C 3py 0.083906 0.012368 0.050262 -0.013362 0.025948 0.042148 8C 1dz2 -0.006970 0.007798 -0.008591 -0.007572 -0.006782 -0.007121 8C 1dxz 0.000710 0.011374 -0.002335 0.002781 -0.005405 0.010653 8C 1dyz -0.002392 -0.005241 0.011438 0.008448 0.005734 0.010384 8C 1dx2y2 -0.010819 0.017139 -0.004090 0.002817 -0.012176 0.010212 8C 1dxy -0.008433 -0.003519 -0.008500 -0.010688 -0.005418 -0.017093 8C 2dz2 0.028408 -0.070620 0.020803 0.008886 0.045436 -0.028882 8C 2dxz -0.016506 -0.012913 0.036461 0.025894 0.024250 0.045638 8C 2dyz 0.013800 0.051538 0.035702 -0.023769 -0.023189 0.048900 8C 2dx2y2 0.028661 0.045643 0.035401 -0.024230 -0.004923 0.047475 8C 2dxy 0.016878 -0.003852 -0.071255 -0.049157 -0.026078 -0.107594 8C 1f0 0.000056 -0.004421 0.006975 0.010675 0.006009 0.008385 8C 1f+1 0.000340 -0.005537 0.009034 0.002311 0.002787 0.009961 8C 1f-1 0.000858 -0.013214 -0.010928 -0.006784 0.002269 -0.023324 8C 1f+2 -0.008292 -0.013482 -0.025214 -0.012816 -0.002388 -0.042405 8C 1f-2 -0.002040 0.006243 0.007112 0.010574 0.001316 0.021782 8C 1f+3 0.005291 -0.016494 -0.018126 -0.011435 0.000258 -0.041038 8C 1f-3 0.001256 -0.023789 -0.027617 -0.011021 -0.001390 -0.053598 9C 1s 0.000364 0.000153 0.000897 0.000450 -0.000114 0.000240 9C 2s 0.000970 -0.001159 0.002769 0.000827 -0.000046 0.000602 9C 3s -0.008864 0.027611 -0.057139 0.011057 -0.001582 -0.016057 9C 4s 0.080992 -0.205215 0.282024 -0.057139 -0.000596 0.055498 9C 5s -0.031267 0.098497 -0.623453 -0.123978 -0.096099 -0.275274 9C 1pz -0.005012 -0.010197 0.010445 0.005266 0.007401 0.000137 9C 1px -0.006435 -0.007230 -0.004987 0.001429 0.005663 -0.007533 9C 1py 0.020375 -0.003421 0.002387 -0.007004 -0.012852 0.000349 9C 2pz -0.001486 0.084711 -0.168926 -0.028687 -0.038164 -0.008652 9C 2px 0.047951 0.067050 0.068916 -0.016647 -0.041915 0.062341 9C 2py -0.171792 0.048154 -0.058235 0.064690 0.103864 -0.008042 9C 3pz -0.014446 -0.026556 0.073016 0.014990 0.036681 0.017980 9C 3px 0.025236 -0.008435 0.073782 0.076183 0.017178 0.029025 9C 3py 0.026707 0.008393 0.055581 0.013030 -0.021031 0.041593 9C 1dz2 0.011174 0.009576 0.005375 -0.010934 -0.009079 0.006791 9C 1dxz 0.015419 0.001259 -0.014625 -0.001028 -0.008713 -0.010720 9C 1dyz -0.010281 0.005052 -0.000083 0.000768 0.003635 -0.000004 9C 1dx2y2 0.013823 0.000194 -0.001163 -0.003224 -0.007402 -0.000036 9C 1dxy -0.001839 -0.002207 -0.008867 0.004000 0.004008 -0.006688 9C 2dz2 -0.034375 -0.010153 0.079493 0.026639 0.031724 0.033808 9C 2dxz 0.024309 -0.056534 -0.045119 -0.012316 0.000574 -0.053911 9C 2dyz 0.048434 -0.014956 0.052895 -0.008932 -0.022443 0.014074 9C 2dx2y2 -0.053367 0.007595 -0.023917 0.001014 0.027668 0.007904 9C 2dxy -0.029769 -0.033906 -0.038942 0.014573 0.020586 -0.056534 9C 1f0 0.007235 -0.012034 -0.029674 0.003902 -0.001297 -0.027258 9C 1f+1 -0.005565 0.009690 0.017809 -0.003608 -0.002372 0.017506 9C 1f-1 0.000608 0.000161 -0.019479 -0.000633 -0.001537 -0.010318 9C 1f+2 -0.003035 0.006934 0.021918 -0.003475 -0.000385 0.015741 9C 1f-2 0.001684 0.020808 0.026789 0.002939 -0.002044 0.027659 9C 1f+3 -0.011851 0.008187 0.016428 0.002782 0.004648 0.016205 9C 1f-3 0.009631 -0.001831 -0.006830 -0.004331 -0.001513 -0.006512 10H 1s -0.013351 0.010919 0.021599 0.003180 -0.004548 -0.016847 10H 2s -0.046595 -0.011015 -0.041433 -0.018181 -0.020257 -0.009079 10H 3s -0.012149 0.039598 -0.086509 -0.032156 0.016854 0.049270 10H 1pz -0.009623 -0.008631 -0.006650 -0.004939 -0.004960 -0.000026 10H 1px 0.012533 0.001728 -0.002973 0.002377 0.006080 0.009106 10H 1py -0.004869 -0.003936 -0.005819 -0.000761 -0.003540 0.004560 11H 1s 0.010297 0.005227 0.008167 -0.006840 0.010340 -0.006134 11H 2s 0.069997 -0.033174 -0.034805 -0.056546 0.034163 -0.000385 11H 3s -0.014312 -0.010901 -0.059148 0.017594 -0.018450 0.046519 11H 1pz 0.027275 -0.003639 -0.004104 -0.017389 0.014575 -0.004103 11H 1px 0.014727 -0.003773 -0.002420 -0.009983 0.009367 0.000673 11H 1py 0.004591 0.003263 0.003184 0.003783 0.001668 0.000319 12H 1s -0.013362 0.000225 0.005792 0.008746 -0.009614 0.003425 12H 2s -0.044824 -0.034881 -0.024658 0.007418 -0.030363 0.031146 12H 3s 0.016678 0.009772 -0.076548 -0.003195 0.025770 0.011971 12H 1pz -0.007544 -0.002610 0.005103 0.001260 -0.003305 -0.003904 12H 1px -0.003912 -0.005210 0.001606 0.001238 -0.005032 0.002240 12H 1py -0.022823 -0.009692 -0.000091 0.006449 -0.015118 0.005077 13H 1s -0.002342 -0.000603 -0.024062 -0.008041 0.006739 0.023137 13H 2s 0.007420 0.055237 0.008984 -0.012807 0.029102 -0.008374 13H 3s 0.072243 0.016755 0.043273 -0.043437 -0.012763 -0.017011 13H 1pz -0.004137 0.013805 -0.000944 -0.005868 0.009046 0.002300 13H 1px 0.001805 -0.004753 0.006288 0.002469 -0.005994 -0.008145 13H 1py 0.004214 -0.010811 -0.005057 0.000253 -0.004043 0.008453 14H 1s -0.008935 0.012260 -0.011316 -0.006563 0.009900 0.001911 14H 2s -0.022603 0.046504 -0.003921 -0.026176 0.035080 0.000127 14H 3s 0.055097 0.019442 0.045791 0.004158 -0.020948 -0.043817 14H 1pz -0.006459 0.014584 -0.009348 -0.005308 0.011380 0.002271 14H 1px -0.011579 0.012142 -0.006698 -0.006144 0.012603 0.002943 14H 1py 0.002870 -0.001944 0.005952 -0.000795 -0.002534 -0.006867 15H 1s 0.002343 -0.013243 -0.000144 0.002800 -0.011130 0.004109 15H 2s 0.010602 -0.047620 0.089968 0.026855 -0.042849 -0.037667 15H 3s 0.009655 0.042039 0.018046 0.003122 0.025484 -0.025537 15H 1pz 0.000610 -0.000422 -0.005915 -0.000873 0.001419 0.004385 15H 1px 0.000868 -0.009378 0.006235 0.003208 -0.007472 0.000475 15H 1py -0.006464 0.023904 -0.026084 -0.009936 0.019757 0.006062 16H 1s 0.019977 0.039550 -0.052380 0.101682 0.009509 -0.021728 16H 2s 0.085626 -0.011497 -0.047548 0.329276 0.022338 -0.006780 16H 3s -0.038080 -0.012087 0.015170 -0.096059 -0.000490 0.020346 16H 1pz 0.018234 0.022244 -0.047108 0.160794 0.020974 -0.021357 16H 1px -0.028040 0.062201 -0.051132 -0.012033 0.005643 -0.024605 16H 1py 0.081704 0.045697 -0.055156 0.114235 -0.010016 0.001139 17H 1s 0.016084 0.030917 -0.039441 0.110352 0.015522 -0.017600 17H 2s 0.144499 0.109860 -0.129749 0.241524 0.034222 0.011203 17H 3s -0.047287 -0.015698 0.035779 -0.085703 0.000026 0.037476 17H 1pz 0.024418 -0.031462 0.044518 -0.109538 -0.024568 0.033254 17H 1px -0.070745 -0.051282 0.047677 -0.042915 -0.016342 -0.023202 17H 1py 0.061993 0.012618 -0.035682 0.167708 -0.002734 -0.010361 18H 1s -0.014547 -0.029586 0.039524 -0.111615 0.016283 -0.018131 18H 2s -0.137621 -0.105894 0.128424 -0.245521 0.035255 0.008309 18H 3s 0.046058 0.015385 -0.035412 0.085937 -0.000531 0.036711 18H 1pz 0.024765 -0.029085 0.044610 -0.115344 0.025251 -0.033664 18H 1px -0.069290 -0.051159 0.048205 -0.044799 0.016232 0.021850 18H 1py 0.059912 0.009478 -0.033454 0.166349 0.002360 0.009939 19H 1s -0.018738 -0.037946 0.051976 -0.102377 0.008639 -0.020935 19H 2s -0.082178 0.017284 0.044575 -0.331898 0.021535 -0.006717 19H 3s 0.037722 0.011324 -0.015057 0.096848 -0.000106 0.021657 19H 1pz 0.014097 0.018371 -0.044860 0.159627 -0.020410 0.021147 19H 1px -0.030419 0.061034 -0.050609 -0.013139 -0.005091 0.025492 19H 1py 0.079648 0.045295 -0.056143 0.118604 0.010112 -0.000198 20H 1s -0.002355 0.013429 0.000234 -0.002907 -0.011050 0.004231 20H 2s -0.010251 0.046595 -0.090347 -0.026753 -0.042074 -0.038441 20H 3s -0.010645 -0.043547 -0.018650 -0.003050 0.025407 -0.026487 20H 1pz 0.000611 -0.000521 -0.005976 -0.000824 -0.001400 -0.004532 20H 1px 0.000805 -0.009437 0.006392 0.003293 0.007488 -0.000419 20H 1py -0.006259 0.023824 -0.026125 -0.010013 -0.019463 -0.006072 21H 1s 0.009059 -0.011954 0.011457 0.006691 0.009840 0.002276 21H 2s 0.023070 -0.047260 0.002902 0.026635 0.034715 -0.000470 21H 3s -0.055263 -0.020977 -0.046008 -0.004125 -0.020941 -0.045210 21H 1pz -0.006674 0.014694 -0.009176 -0.005453 -0.011360 -0.002283 21H 1px -0.011674 0.012135 -0.006458 -0.006221 -0.012476 -0.002937 21H 1py 0.002894 -0.002050 0.005909 -0.000921 0.002591 0.006758 22H 1s 0.002254 0.001085 0.024089 0.007933 0.006548 0.023520 22H 2s -0.007664 -0.055145 -0.009838 0.013421 0.028472 -0.008260 22H 3s -0.073450 -0.018868 -0.043377 0.044258 -0.012598 -0.018730 22H 1pz -0.004126 0.013509 -0.000680 -0.005911 -0.008770 -0.002342 22H 1px 0.001768 -0.004682 0.006251 0.002535 0.005918 0.008355 22H 1py 0.004218 -0.010708 -0.005211 0.000346 0.003976 -0.008384 23H 1s 0.013187 -0.000315 -0.006174 -0.008706 -0.009582 0.003211 23H 2s 0.044572 0.036784 0.025755 -0.007018 -0.029998 0.031838 23H 3s -0.017711 -0.009204 0.077148 0.003507 0.025673 0.012894 23H 1pz -0.007911 -0.002783 0.005077 0.001427 0.003427 0.003832 23H 1px -0.003858 -0.005298 0.001549 0.001130 0.004930 -0.002134 23H 1py -0.022860 -0.010291 -0.000308 0.006367 0.015044 -0.005255 24H 1s -0.010221 -0.005274 -0.008329 0.006932 0.010186 -0.006384 24H 2s -0.067755 0.033565 0.035353 0.056704 0.033208 -0.000743 24H 3s 0.013168 0.010415 0.060927 -0.016845 -0.017944 0.048183 24H 1pz 0.026554 -0.003759 -0.004047 -0.017222 -0.014249 0.004219 24H 1px 0.014403 -0.004007 -0.002432 -0.010189 -0.009254 -0.000449 24H 1py 0.004688 0.003088 0.003203 0.003741 -0.001746 -0.000340 25H 1s 0.012634 -0.011157 -0.021818 -0.003204 -0.004196 -0.017003 25H 2s 0.044394 0.010546 0.042189 0.019021 -0.018767 -0.008468 25H 3s 0.012039 -0.039968 0.088076 0.032807 0.015770 0.049255 25H 1pz -0.009374 -0.008581 -0.006703 -0.005246 0.004647 0.000058 25H 1px 0.011818 0.001598 -0.002931 0.002471 -0.005619 -0.008997 25H 1py -0.004470 -0.003979 -0.005862 -0.000847 0.003277 -0.004760 26O 1s 0.001256 -0.000142 0.002795 0.001975 -0.000208 -0.000103 26O 2s 0.005472 -0.003424 0.009774 0.007900 -0.000795 -0.000029 26O 3s -0.098999 0.109479 -0.132724 -0.127679 0.011559 -0.008835 26O 4s 0.328110 -0.449626 0.378234 0.384269 -0.028548 0.044662 26O 5s 0.148687 -0.094190 -0.393130 0.286971 0.024171 0.157141 26O 1pz -0.009206 -0.028617 0.005315 0.001801 0.006588 -0.003054 26O 1px 0.007675 -0.018278 0.020876 0.028680 0.000276 0.003600 26O 1py 0.032486 -0.016100 0.006868 0.004692 -0.010290 0.006707 26O 2pz 0.027765 0.122914 0.014895 -0.013769 -0.012481 -0.030432 26O 2px -0.131887 0.275546 -0.103974 -0.214757 0.010931 -0.058821 26O 2py -0.174921 0.145243 -0.015167 -0.056744 0.017063 -0.063825 26O 3pz -0.161065 -0.107466 -0.460352 -0.064617 -0.041653 0.087191 26O 3px -0.246873 0.247680 0.016648 -0.207877 -0.033733 -0.170762 26O 3py 0.055278 0.086107 -0.293534 -0.262915 0.100125 0.084676 26O 1dz2 0.301619 0.113527 0.074375 -0.140017 0.290272 -0.012108 26O 1dxz 0.063275 -0.130219 -0.307290 -0.041749 0.003064 0.226660 26O 1dyz -0.167873 -0.015103 0.158787 0.122714 -0.214400 -0.090980 26O 1dx2y2 0.113524 0.069869 0.191014 -0.027400 0.050721 -0.125058 26O 1dxy 0.146028 -0.027149 -0.001085 -0.081034 0.201007 0.014684 26O 2dz2 -0.251496 -0.006563 -0.086598 0.059344 -0.205210 -0.002719 26O 2dxz -0.043834 0.040505 0.194095 0.058852 -0.008126 -0.122424 26O 2dyz 0.123970 -0.002670 -0.124540 -0.067527 0.152489 0.078263 26O 2dx2y2 -0.075382 -0.131130 -0.078956 0.069492 -0.048793 0.094933 26O 2dxy -0.006235 -0.072019 0.022586 0.116598 -0.142063 0.014681 26O 1f0 0.006755 -0.035339 0.020846 0.027770 -0.018679 0.036176 26O 1f+1 0.090480 -0.037106 0.017577 0.006101 0.035276 0.008909 26O 1f-1 0.054989 -0.029189 0.009838 0.003005 0.008630 0.029303 26O 1f+2 0.031070 0.055431 -0.030222 -0.035899 0.007520 -0.018437 26O 1f-2 -0.037088 0.011151 -0.009581 -0.008873 -0.035258 -0.013927 26O 1f+3 -0.082532 -0.024469 0.002162 0.000642 -0.004294 0.009665 26O 1f-3 0.018836 -0.071473 0.027337 0.069002 -0.042661 0.023324 27O 1s -0.001873 -0.001838 -0.001963 0.001936 -0.000197 0.000078 27O 2s -0.008570 -0.005866 -0.005632 0.008584 -0.000751 -0.000232 27O 3s 0.164107 0.068435 0.048994 -0.156082 0.010501 0.020573 27O 4s -0.576015 -0.178268 -0.066905 0.517565 -0.029742 -0.106388 27O 5s 0.162933 0.269357 0.156700 0.385700 -0.024032 -0.268314 27O 1pz -0.005354 -0.014819 0.022649 -0.001282 0.009570 0.003120 27O 1px -0.026530 -0.012514 -0.005326 0.029207 -0.000841 -0.005129 27O 1py 0.024240 -0.014110 -0.000105 -0.007771 0.005518 0.003184 27O 2pz -0.008555 0.049861 -0.096920 0.007974 -0.012706 0.023959 27O 2px 0.288739 0.029413 -0.056336 -0.298513 0.014296 0.122516 27O 2py -0.112587 0.079329 0.033025 0.067460 -0.008921 -0.090909 27O 3pz 0.168722 0.042548 0.331553 0.075216 -0.097175 -0.118132 27O 3px 0.217092 -0.043857 0.008823 -0.370549 -0.008331 0.285485 27O 3py -0.155704 -0.362197 -0.238204 0.109331 -0.050771 0.164469 27O 1dz2 -0.086592 0.336418 -0.129680 -0.133512 0.338286 -0.112824 27O 1dxz 0.051482 0.142433 0.172113 0.058828 -0.086907 -0.274612 27O 1dyz 0.148505 0.072146 0.277491 0.045259 -0.112046 -0.239232 27O 1dx2y2 -0.105255 0.124348 -0.112174 -0.075014 0.154665 0.082975 27O 1dxy 0.039959 -0.191437 -0.116189 -0.020175 -0.125023 0.246963 27O 2dz2 0.130413 -0.228288 0.078922 0.025502 -0.238683 0.109594 27O 2dxz -0.016820 -0.115706 -0.080279 -0.025959 0.050880 0.154984 27O 2dyz -0.115652 -0.042595 -0.196613 -0.037672 0.083933 0.167101 27O 2dx2y2 -0.041261 -0.113503 0.095582 0.142087 -0.118588 -0.084680 27O 2dxy 0.029999 0.091206 0.068007 -0.063959 0.085526 -0.101757 27O 1f0 0.003682 -0.043051 0.013943 0.018353 -0.011340 0.007603 27O 1f+1 -0.071823 0.047529 -0.028994 0.030502 0.046084 -0.035923 27O 1f-1 0.019378 -0.009346 0.005569 -0.020174 0.023756 0.036111 27O 1f+2 0.025714 0.031615 -0.019620 -0.013242 -0.011007 0.048321 27O 1f-2 0.035825 -0.034037 0.021211 -0.008053 -0.010856 0.005810 27O 1f+3 -0.025629 -0.059080 0.050979 0.048586 -0.037181 -0.026210 27O 1f-3 0.068067 0.007464 0.002442 -0.088808 0.020334 0.067825 28O 1s 0.000587 -0.003508 0.000443 -0.000649 -0.000206 -0.000035 28O 2s 0.002617 -0.013248 0.004163 -0.002182 -0.000817 -0.000339 28O 3s -0.051554 0.204023 -0.116029 0.025070 0.012781 0.013818 28O 4s 0.200962 -0.636568 0.462827 -0.037770 -0.036952 -0.063527 28O 5s -0.106161 0.194402 0.297021 -0.341915 0.042070 -0.152049 28O 1pz -0.002513 -0.025184 0.025208 0.012328 0.003363 0.003620 28O 1px -0.008434 0.021183 -0.009412 0.017151 0.004640 0.004113 28O 1py 0.022856 -0.002570 0.011389 -0.006412 -0.008653 -0.005118 28O 2pz -0.024854 0.154513 -0.260427 -0.035605 0.002318 0.053974 28O 2px 0.095948 -0.199416 0.218207 -0.066057 -0.015755 -0.045482 28O 2py -0.094504 -0.002798 -0.072728 0.029876 0.009703 0.044557 28O 3pz -0.187801 0.435907 0.007355 0.129219 -0.033872 0.057299 28O 3px -0.073704 -0.013637 0.364203 -0.081961 -0.027114 -0.161930 28O 3py 0.123279 0.327620 0.123798 -0.070313 0.104867 -0.130606 28O 1dz2 0.222768 0.128752 0.117977 -0.076478 0.160659 -0.141604 28O 1dxz 0.195074 0.011539 -0.093399 -0.078311 0.203667 0.011455 28O 1dyz -0.057716 -0.165816 -0.041535 0.025351 -0.045583 0.069020 28O 1dx2y2 0.336631 -0.107400 -0.160516 -0.074921 0.267267 0.120605 28O 1dxy -0.081447 -0.256603 -0.191993 0.014168 -0.177022 0.175423 28O 2dz2 -0.182697 -0.100939 -0.033004 0.056549 -0.122865 0.070089 28O 2dxz -0.165489 0.094831 -0.064229 0.057533 -0.136365 0.025292 28O 2dyz 0.055849 0.109278 0.062433 -0.043585 0.037484 -0.062440 28O 2dx2y2 -0.199513 0.010460 0.158985 0.049461 -0.194324 -0.082021 28O 2dxy 0.026532 0.186069 0.093232 0.009467 0.120152 -0.106889 28O 1f0 0.088754 0.007328 0.014638 -0.040431 0.029480 -0.004595 28O 1f+1 -0.008724 -0.077905 0.071815 0.007226 -0.008827 -0.044992 28O 1f-1 -0.015138 -0.003459 0.009184 0.023135 -0.015113 -0.013592 28O 1f+2 -0.011029 0.043368 -0.063869 0.002957 -0.014177 0.016540 28O 1f-2 0.035401 -0.028087 0.034770 -0.022762 -0.009735 -0.027403 28O 1f+3 0.059689 0.008859 -0.012217 -0.012846 0.054503 -0.000732 28O 1f-3 0.000332 -0.046784 0.032499 -0.014520 -0.022937 0.001031 29O 1s 0.000079 -0.000879 0.001017 -0.001797 -0.000472 0.000961 29O 2s -0.000092 -0.003169 0.003785 -0.007173 -0.001755 0.002998 29O 3s 0.014863 0.048411 -0.061375 0.130752 0.027279 -0.036876 29O 4s 0.015879 -0.093066 0.108215 -0.188332 -0.071160 0.084268 29O 5s -0.360891 -0.091725 0.196994 -0.743630 0.010238 -0.061599 29O 1pz -0.001266 -0.006552 0.006400 -0.009292 -0.000416 0.003784 29O 1px -0.000799 0.006010 -0.008232 0.017895 0.004397 -0.008378 29O 1py -0.003229 -0.012883 0.017400 -0.042229 -0.005863 0.002363 29O 2pz 0.017819 0.027936 -0.038186 0.094203 0.000532 -0.018978 29O 2px -0.043550 -0.053555 0.076719 -0.196153 -0.018902 0.034993 29O 2py 0.030270 0.069572 -0.095984 0.235237 0.032240 -0.024574 29O 3pz -0.101863 -0.146213 0.112200 -0.033013 0.007037 -0.009138 29O 3px 0.142525 0.006464 -0.067486 0.366100 -0.024493 -0.025136 29O 3py 0.125537 -0.024521 0.016425 0.024301 0.012467 0.056074 29O 1dz2 0.137242 0.078488 -0.046198 -0.094491 -0.028552 0.051139 29O 1dxz -0.080949 -0.281847 0.256131 -0.141886 0.003497 0.040595 29O 1dyz -0.230162 -0.133336 0.086394 0.069463 0.019645 -0.088363 29O 1dx2y2 0.184257 0.061373 -0.160895 0.689476 -0.077947 -0.069945 29O 1dxy 0.296407 -0.136225 0.113928 0.033353 -0.033999 0.150250 29O 2dz2 -0.136574 -0.070040 0.059334 -0.018911 0.018507 -0.035921 29O 2dxz 0.027517 0.187162 -0.163550 0.040168 -0.006883 -0.030502 29O 2dyz 0.168430 0.102144 -0.062818 -0.068675 -0.013629 0.071241 29O 2dx2y2 -0.128351 -0.039363 0.108863 -0.481303 0.057930 0.051230 29O 2dxy -0.186593 0.118544 -0.109579 0.044004 0.035236 -0.116034 29O 1f0 0.059184 0.050339 -0.065024 0.143453 0.004059 -0.012392 29O 1f+1 -0.038854 -0.042888 0.046229 -0.064793 -0.000503 0.005352 29O 1f-1 0.043869 0.023069 -0.036236 0.089199 0.007126 -0.001353 29O 1f+2 0.003747 0.008767 0.011325 -0.109885 -0.001753 0.022929 29O 1f-2 0.021730 -0.005718 0.000971 0.058201 0.009089 -0.001508 29O 1f+3 0.004570 -0.035366 0.034760 -0.034963 -0.006565 0.013102 29O 1f-3 -0.017619 -0.010720 0.019619 -0.088901 0.000348 0.003937 30O 1s -0.002833 0.000620 0.001991 0.000128 -0.000115 -0.000325 30O 2s -0.012444 0.000522 0.006152 0.000740 -0.000421 -0.000531 30O 3s 0.225516 0.029862 -0.065769 -0.015751 0.005820 -0.011120 30O 4s -0.753018 -0.168489 0.144284 0.080167 -0.016425 0.068675 30O 5s -0.071300 -0.279023 -0.120990 -0.433934 -0.019950 0.326980 30O 1pz -0.014574 -0.024779 0.013145 0.015257 0.007538 0.000268 30O 1px 0.023187 -0.003316 -0.011021 0.011478 0.002320 -0.009206 30O 1py 0.037849 0.002332 0.010401 -0.004833 0.006626 -0.005876 30O 2pz 0.166912 0.174102 -0.025123 -0.047456 -0.005829 -0.080390 30O 2px -0.280138 -0.074640 0.025937 -0.031698 -0.005265 0.064470 30O 2py -0.254078 -0.089848 -0.078372 -0.001989 -0.010869 0.126054 30O 3pz 0.317376 -0.170075 -0.051103 0.003212 -0.093270 -0.056504 30O 3px -0.153027 -0.286028 -0.181497 -0.154565 -0.018528 0.337821 30O 3py -0.292764 -0.001179 0.375946 0.126486 -0.064549 -0.087795 30O 1dz2 -0.004682 0.034439 -0.286758 -0.130013 0.133830 0.286637 30O 1dxz -0.040516 0.228777 -0.153266 -0.061225 0.296944 0.043088 30O 1dyz 0.124205 -0.162232 0.021227 -0.015859 -0.123944 0.074084 30O 1dx2y2 -0.098772 0.330857 0.101619 0.066273 0.167512 -0.346945 30O 1dxy -0.010485 -0.019318 -0.227731 -0.066233 0.173620 0.190426 30O 2dz2 0.041817 -0.049138 0.208524 0.101034 -0.104727 -0.189420 30O 2dxz 0.127116 -0.102297 0.093557 0.018579 -0.206346 -0.057312 30O 2dyz -0.002108 0.164991 -0.009878 0.023729 0.094666 -0.105370 30O 2dx2y2 0.047063 -0.222611 -0.045020 -0.014375 -0.120064 0.200655 30O 2dxy -0.124787 -0.022757 0.141455 0.045606 -0.119669 -0.088222 30O 1f0 -0.056967 0.033869 -0.027351 -0.022879 0.037200 0.000157 30O 1f+1 -0.017382 -0.025009 0.019716 0.023893 0.003974 0.009370 30O 1f-1 0.021154 -0.057115 0.037493 0.025322 -0.006523 0.008168 30O 1f+2 0.005619 -0.013851 0.026632 -0.011348 -0.040260 -0.002238 30O 1f-2 0.088117 0.050802 -0.007327 -0.012897 0.020516 -0.081505 30O 1f+3 -0.092063 0.016903 -0.017080 -0.011072 0.023355 0.051483 30O 1f-3 0.045417 0.052413 -0.020717 -0.010105 0.034335 -0.003099 31O 1s 0.002889 -0.000587 -0.002008 -0.000126 -0.000103 -0.000325 31O 2s 0.012656 -0.000397 -0.006219 -0.000737 -0.000374 -0.000510 31O 3s -0.228585 -0.031580 0.066701 0.015959 0.005017 -0.011791 31O 4s 0.761216 0.172583 -0.146380 -0.081643 -0.013560 0.071584 31O 5s 0.067291 0.274915 0.122828 0.430506 -0.019650 0.329789 31O 1pz -0.015009 -0.024980 0.013302 0.015218 -0.007660 -0.000357 31O 1px 0.023738 -0.002943 -0.011260 0.011505 -0.002315 0.009150 31O 1py 0.038227 0.002530 0.010281 -0.004748 -0.006592 0.006021 31O 2pz 0.169008 0.174878 -0.025669 -0.048138 0.006779 0.081577 31O 2px -0.283462 -0.076295 0.026879 -0.031154 0.004490 -0.065464 31O 2py -0.255802 -0.090443 -0.078045 -0.001471 0.010274 -0.127538 31O 3pz 0.318756 -0.170400 -0.052262 0.003558 0.093623 0.057606 31O 3px -0.152395 -0.284520 -0.181524 -0.153020 0.017895 -0.341148 31O 3py -0.295911 -0.001645 0.377515 0.125709 0.062731 0.087377 31O 1dz2 0.003214 -0.035661 0.286888 0.129985 0.132787 0.287325 31O 1dxz 0.040352 -0.228871 0.153654 0.062056 0.295907 0.043137 31O 1dyz -0.125272 0.161588 -0.021308 0.016162 -0.124064 0.074256 31O 1dx2y2 0.100082 -0.331022 -0.101159 -0.064080 0.167591 -0.347701 31O 1dxy 0.009578 0.017944 0.228112 0.066580 0.172998 0.191678 31O 2dz2 -0.041154 0.049834 -0.208570 -0.101259 -0.103969 -0.190001 31O 2dxz -0.128256 0.101810 -0.093369 -0.018924 -0.206018 -0.057864 31O 2dyz 0.002043 -0.165065 0.010244 -0.023511 0.094493 -0.105950 31O 2dx2y2 -0.047312 0.222856 0.044561 0.013195 -0.119969 0.201256 31O 2dxy 0.126610 0.024299 -0.142082 -0.046046 -0.118916 -0.088477 31O 1f0 -0.057913 0.033384 -0.026975 -0.023231 -0.037081 -0.000276 31O 1f+1 -0.017900 -0.025319 0.019963 0.024247 -0.004184 -0.009421 31O 1f-1 0.020859 -0.057397 0.037649 0.025628 0.006382 -0.008241 31O 1f+2 0.005534 -0.014051 0.026649 -0.011165 0.040189 0.002374 31O 1f-2 0.089566 0.051894 -0.008094 -0.013216 -0.020298 0.081886 31O 1f+3 -0.092858 0.016211 -0.016884 -0.010757 -0.023458 -0.051712 31O 1f-3 0.046306 0.053128 -0.021139 -0.010241 -0.034114 0.003333 32O 1s -0.000097 0.000848 -0.001023 0.001822 -0.000465 0.000945 32O 2s -0.000002 0.003044 -0.003796 0.007268 -0.001735 0.002956 32O 3s -0.012865 -0.046109 0.061202 -0.132429 0.027053 -0.036561 32O 4s -0.019407 0.088650 -0.108280 0.191651 -0.070467 0.083238 32O 5s 0.350092 0.082974 -0.191775 0.749610 0.009103 -0.057302 32O 1pz -0.001098 -0.006006 0.005853 -0.008216 -0.000137 -0.003446 32O 1px -0.001105 0.005733 -0.008297 0.018552 -0.004551 0.008519 32O 1py -0.002669 -0.012308 0.017326 -0.042821 0.005850 -0.002432 32O 2pz 0.015789 0.024167 -0.034683 0.088144 0.002466 0.017256 32O 2px -0.040161 -0.050641 0.076462 -0.200929 0.019962 -0.036201 32O 2py 0.026499 0.065630 -0.095075 0.238765 -0.032190 0.025203 32O 3pz -0.099214 -0.146030 0.112400 -0.033144 -0.007427 0.007249 32O 3px 0.139213 0.003762 -0.065841 0.368089 0.023693 0.025778 32O 3py 0.123664 -0.026785 0.018319 0.026183 -0.012348 -0.054626 32O 1dz2 -0.144260 -0.085691 0.049787 0.100332 -0.030598 0.053434 32O 1dxz 0.075962 0.274205 -0.252115 0.142763 0.006113 0.041258 32O 1dyz 0.216098 0.136063 -0.086291 -0.080848 0.018184 -0.083239 32O 1dx2y2 -0.175749 -0.056646 0.159885 -0.692975 -0.075489 -0.070466 32O 1dxy -0.301524 0.135747 -0.115628 -0.038473 -0.034437 0.151359 32O 2dz2 0.140794 0.074277 -0.061573 0.015231 0.020383 -0.037971 32O 2dxz -0.024930 -0.182090 0.160454 -0.039317 -0.009562 -0.030565 32O 2dyz -0.156718 -0.104145 0.062210 0.079837 -0.011853 0.066823 32O 2dx2y2 0.123043 0.036874 -0.108693 0.483891 0.055815 0.051551 32O 2dxy 0.192273 -0.116849 0.110199 -0.040197 0.035777 -0.117343 32O 1f0 0.053728 0.046553 -0.061978 0.138904 -0.003483 0.012596 32O 1f+1 -0.038596 -0.042389 0.047143 -0.070557 0.000754 -0.006229 32O 1f-1 0.045940 0.024942 -0.038857 0.093431 -0.006691 0.001012 32O 1f+2 0.002281 0.010412 0.011591 -0.116735 0.002539 -0.022413 32O 1f-2 0.019794 -0.006514 0.001918 0.055262 -0.010196 0.001432 32O 1f+3 0.006936 -0.034290 0.034221 -0.032774 0.006226 -0.013654 32O 1f-3 -0.016298 -0.010526 0.019637 -0.086968 0.000341 -0.003674 33O 1s -0.000548 0.003552 -0.000471 0.000628 -0.000200 -0.000027 33O 2s -0.002468 0.013417 -0.004262 0.002099 -0.000788 -0.000323 33O 3s 0.049346 -0.206602 0.117511 -0.023820 0.012215 0.013819 33O 4s -0.193764 0.644235 -0.467421 0.034228 -0.035104 -0.064122 33O 5s 0.108116 -0.191398 -0.297377 0.344590 0.040809 -0.153884 33O 1pz -0.002364 -0.025325 0.025252 0.012650 -0.003583 -0.003514 33O 1px -0.008226 0.021609 -0.009563 0.016769 -0.004609 -0.004223 33O 1py 0.022951 -0.002461 0.011473 -0.006399 0.008597 0.005263 33O 2pz -0.024063 0.156581 -0.261145 -0.037465 -0.001440 -0.054895 33O 2px 0.093722 -0.202770 0.220024 -0.064177 0.015208 0.046649 33O 2py -0.094669 -0.002863 -0.073353 0.029729 -0.009622 -0.045329 33O 3pz -0.184912 0.438456 0.007006 0.130656 0.035332 -0.055667 33O 3px -0.075276 -0.016007 0.364873 -0.082421 0.026418 0.162299 33O 3py 0.124569 0.328495 0.123043 -0.069156 -0.103390 0.132728 33O 1dz2 -0.223074 -0.128419 -0.116756 0.076102 0.160545 -0.142208 33O 1dxz -0.195111 -0.011902 0.094040 0.078832 0.203478 0.011719 33O 1dyz 0.059470 0.167473 0.040209 -0.025316 -0.045151 0.069769 33O 1dx2y2 -0.334945 0.107098 0.160438 0.076765 0.266990 0.120537 33O 1dxy 0.083630 0.256505 0.190291 -0.013345 -0.176473 0.176445 33O 2dz2 0.183149 0.101176 0.032406 -0.056717 -0.122741 0.070750 33O 2dxz 0.164559 -0.096155 0.064403 -0.056937 -0.136657 0.025400 33O 2dyz -0.056513 -0.110085 -0.061917 0.043412 0.037114 -0.063112 33O 2dx2y2 0.198816 -0.009487 -0.159452 -0.051065 -0.193847 -0.082267 33O 2dxy -0.028260 -0.186257 -0.091597 -0.009901 0.119711 -0.107407 33O 1f0 0.088418 0.007211 0.014802 -0.040457 -0.029435 0.004943 33O 1f+1 -0.009355 -0.079345 0.071828 0.008510 0.008629 0.044686 33O 1f-1 -0.014807 -0.003432 0.009123 0.022963 0.015015 0.013602 33O 1f+2 -0.010710 0.044340 -0.064144 0.002025 0.014384 -0.016682 33O 1f-2 0.034966 -0.028336 0.035284 -0.022301 0.009651 0.027617 33O 1f+3 0.059699 0.009088 -0.012374 -0.013193 -0.054423 0.000711 33O 1f-3 -0.000352 -0.047197 0.033251 -0.014188 0.022844 -0.000984 34O 1s 0.001921 0.001885 0.001938 -0.001963 -0.000189 0.000092 34O 2s 0.008755 0.006043 0.005546 -0.008683 -0.000718 -0.000197 34O 3s -0.166847 -0.071024 -0.047856 0.157506 0.009885 0.020238 34O 4s 0.582980 0.185308 0.063921 -0.521702 -0.027561 -0.105272 34O 5s -0.163209 -0.270849 -0.154785 -0.388014 -0.023943 -0.272787 34O 1pz -0.005329 -0.014615 0.022573 -0.001350 -0.009659 -0.003054 34O 1px -0.027527 -0.012992 -0.005107 0.029177 0.000704 0.005289 34O 1py 0.024396 -0.014131 -0.000116 -0.007676 -0.005422 -0.003222 34O 2pz -0.008748 0.049037 -0.096586 0.008454 0.013030 -0.024243 34O 2px 0.293690 0.032710 -0.057531 -0.299353 -0.013150 -0.123515 34O 2py -0.113532 0.079267 0.033074 0.067075 0.008447 0.091326 34O 3pz 0.169141 0.043957 0.331585 0.074234 0.096476 0.120451 34O 3px 0.218441 -0.041720 0.009525 -0.374042 0.009754 -0.285925 34O 3py -0.156385 -0.364607 -0.237840 0.113442 0.049656 -0.167495 34O 1dz2 0.087047 -0.337798 0.130564 0.135925 0.337058 -0.113426 34O 1dxz -0.050909 -0.142440 -0.172033 -0.057327 -0.086547 -0.275723 34O 1dyz -0.149109 -0.073328 -0.276525 -0.043307 -0.111784 -0.241395 34O 1dx2y2 0.104363 -0.124679 0.112660 0.075066 0.153890 0.083051 34O 1dxy -0.040955 0.191332 0.115720 0.018643 -0.124757 0.247721 34O 2dz2 -0.131825 0.228339 -0.079230 -0.026821 -0.238060 0.110209 34O 2dxz 0.016470 0.115661 0.080261 0.025079 0.050690 0.155750 34O 2dyz 0.116110 0.043341 0.195964 0.036414 0.083773 0.168670 34O 2dx2y2 0.043484 0.115060 -0.096285 -0.142667 -0.117650 -0.084964 34O 2dxy -0.030374 -0.091793 -0.067381 0.065170 0.085034 -0.102201 34O 1f0 0.003346 -0.043350 0.014072 0.018573 0.011321 -0.007713 34O 1f+1 -0.073449 0.046572 -0.028654 0.030401 -0.046119 0.036125 34O 1f-1 0.019855 -0.008984 0.005443 -0.020210 -0.023597 -0.036066 34O 1f+2 0.026143 0.031738 -0.019655 -0.013126 0.011079 -0.048178 34O 1f-2 0.035941 -0.033937 0.021121 -0.008094 0.010923 -0.005665 34O 1f+3 -0.026807 -0.059947 0.051188 0.048794 0.036865 0.026554 34O 1f-3 0.070132 0.008680 0.001678 -0.089045 -0.019828 -0.067709 35O 1s -0.001241 0.000173 -0.002803 -0.002015 -0.000196 -0.000117 35O 2s -0.005409 0.003545 -0.009814 -0.008047 -0.000742 -0.000063 35O 3s 0.098038 -0.111191 0.133469 0.129648 0.010607 -0.008677 35O 4s -0.325347 0.453923 -0.380236 -0.388986 -0.025370 0.045457 35O 5s -0.147060 0.093025 0.390657 -0.283075 0.025724 0.158737 35O 1pz -0.009080 -0.028579 0.005226 0.001778 -0.006660 0.002896 35O 1px 0.007545 -0.018640 0.021094 0.029206 -0.000444 -0.003464 35O 1py 0.032536 -0.016297 0.006966 0.004993 0.010192 -0.006754 35O 2pz 0.027749 0.122551 0.014962 -0.013348 0.012645 0.031059 35O 2px -0.130924 0.277300 -0.105497 -0.216753 -0.009268 0.059396 35O 2py -0.174766 0.146144 -0.015748 -0.057689 -0.016385 0.064501 35O 3pz -0.161281 -0.106488 -0.461456 -0.067129 0.042772 -0.089211 35O 3px -0.246065 0.247186 0.014891 -0.207954 0.035538 0.171357 35O 3py 0.054769 0.087280 -0.294503 -0.265424 -0.097795 -0.084533 35O 1dz2 -0.300283 -0.113346 -0.074130 0.140516 0.289862 -0.013142 35O 1dxz -0.062698 0.128365 0.306374 0.043637 0.002641 0.227036 35O 1dyz 0.168214 0.017114 -0.159178 -0.123916 -0.213298 -0.090426 35O 1dx2y2 -0.113579 -0.069425 -0.190745 0.026692 0.051023 -0.125150 35O 1dxy -0.145690 0.026870 0.000967 0.081828 0.200715 0.014527 35O 2dz2 0.250420 0.006002 0.086793 -0.059166 -0.205296 -0.002111 35O 2dxz 0.044060 -0.039208 -0.193830 -0.060067 -0.007693 -0.122725 35O 2dyz -0.123723 0.001396 0.124646 0.068307 0.151742 0.077843 35O 2dx2y2 0.075605 0.131260 0.078191 -0.069637 -0.048621 0.095040 35O 2dxy 0.006509 0.073079 -0.022934 -0.117876 -0.141301 0.015074 35O 1f0 0.006173 -0.035628 0.021243 0.028147 0.018504 -0.035975 35O 1f+1 0.089827 -0.037579 0.017898 0.006621 -0.035301 -0.008733 35O 1f-1 0.054783 -0.029362 0.009975 0.003073 -0.008736 -0.029339 35O 1f+2 0.031514 0.055888 -0.030628 -0.036057 -0.007283 0.018361 35O 1f-2 -0.036417 0.011407 -0.009848 -0.009207 0.035273 0.013645 35O 1f+3 -0.082510 -0.024205 0.002523 0.000579 0.004545 -0.009420 35O 1f-3 0.018089 -0.072740 0.027899 0.070222 0.042340 -0.023353 702 703 704 705 706 707 6.57133 6.61398 6.71331 6.72590 6.72882 6.72994 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s 0.000116 0.003355 0.000019 0.000002 0.000083 -0.000123 0Rh 2s -0.000678 -0.025046 -0.011956 -0.000537 -0.000557 0.001328 0Rh 3s 0.000306 0.005724 -0.006898 -0.000302 0.000181 0.000033 0Rh 4s 0.004552 0.163643 0.070796 0.003191 0.003704 -0.008409 0Rh 5s -0.012892 -0.475780 -0.232842 -0.010511 -0.010673 0.024957 0Rh 6s 0.015105 0.640862 0.467956 0.021117 0.013065 -0.036020 0Rh 7s -0.041215 -1.644859 -1.824520 -0.082005 -0.015249 0.095323 0Rh 8s 0.036159 -0.111889 0.473615 0.026230 0.065422 0.073350 0Rh 1pz -0.041451 -0.021196 -0.003588 -0.000332 0.015393 -0.058509 0Rh 1px -0.012159 0.062895 0.018884 0.001604 0.018551 -0.014385 0Rh 1py -0.004887 0.012022 0.004444 -0.002780 -0.058810 -0.019832 0Rh 2pz 0.175021 0.089505 0.015235 0.001440 -0.065506 0.248934 0Rh 2px 0.051349 -0.265563 -0.080234 -0.006798 -0.078853 0.061224 0Rh 2py 0.020641 -0.050758 -0.018911 0.011804 0.250224 0.084380 0Rh 3pz -0.605498 -0.308775 -0.054404 -0.005774 0.235736 -0.894847 0Rh 3px -0.177791 0.915578 0.286656 0.023910 0.281927 -0.220434 0Rh 3py -0.071538 0.174916 0.068015 -0.041884 -0.899689 -0.303379 0Rh 4pz 0.875038 0.437571 0.083885 0.011051 -0.362755 1.374158 0Rh 4px 0.257289 -1.295880 -0.437312 -0.035055 -0.428378 0.338976 0Rh 4py 0.103849 -0.247323 -0.104181 0.062337 1.382142 0.466011 0Rh 5pz -0.617902 -0.268754 -0.067606 -0.013253 0.282161 -1.065141 0Rh 5px -0.181891 0.792245 0.331470 0.023445 0.324676 -0.261437 0Rh 5py -0.074717 0.150448 0.076537 -0.043349 -1.071898 -0.361714 0Rh 6pz 0.170831 -0.269552 0.067883 -0.019687 -0.133345 0.573537 0Rh 6px 0.055420 0.833144 -0.150798 -0.009346 -0.199277 0.081646 0Rh 6py 0.037174 0.178798 0.013667 -0.017607 0.563118 0.198547 0Rh 1dz2 0.004076 -0.005816 0.000416 0.009384 0.001604 -0.006396 0Rh 1dxz -0.005961 -0.008533 0.001770 -0.000816 -0.002494 0.012246 0Rh 1dyz 0.001066 -0.001278 -0.000480 0.023287 -0.004918 0.002108 0Rh 1dx2y2 -0.001618 0.012578 -0.002520 0.003332 -0.006182 0.001978 0Rh 1dxy 0.000029 0.004108 -0.002334 0.008727 0.012278 0.005007 0Rh 2dz2 -0.000390 0.001390 0.001862 -0.006924 -0.001060 0.003898 0Rh 2dxz 0.000412 0.002172 0.001909 0.000775 0.001574 -0.007724 0Rh 2dyz -0.000682 0.000255 0.000962 -0.017500 0.002970 -0.001313 0Rh 2dx2y2 -0.000045 -0.003145 -0.002723 -0.002707 0.003808 -0.001018 0Rh 2dxy -0.000393 -0.000905 -0.000188 -0.006851 -0.007680 -0.003080 0Rh 3dz2 -0.021336 0.026513 -0.012559 -0.018386 -0.003851 0.017271 0Rh 3dxz 0.031989 0.038273 -0.020866 0.000694 0.006458 -0.031620 0Rh 3dyz -0.002729 0.006103 -0.002375 -0.043964 0.013399 -0.005495 0Rh 3dx2y2 0.009468 -0.056622 0.029746 -0.005204 0.016421 -0.006359 0Rh 3dxy 0.001795 -0.019160 0.014950 -0.014901 -0.032079 -0.013370 0Rh 4dz2 0.057051 -0.069846 0.049869 0.012920 0.006101 -0.032899 0Rh 4dxz -0.085748 -0.100407 0.075321 0.002252 -0.011831 0.056166 0Rh 4dyz 0.005777 -0.016410 0.013504 0.025678 -0.025365 0.009584 0Rh 4dx2y2 -0.025952 0.148457 -0.107773 -0.000963 -0.030203 0.014427 0Rh 4dxy -0.006023 0.051020 -0.047505 0.003085 0.058248 0.024972 0Rh 5dz2 -0.129966 0.152130 -0.217991 0.222690 0.008106 0.003874 0Rh 5dxz 0.198356 0.219860 -0.293781 -0.030840 -0.001740 0.021827 0Rh 5dyz -0.003012 0.036286 -0.080197 0.575960 0.002210 0.003998 0Rh 5dx2y2 0.061830 -0.322778 0.425583 0.105145 -0.002612 -0.017829 0Rh 5dxy 0.019855 -0.113820 0.160430 0.245958 0.013589 0.000126 0Rh 1f0 0.006160 0.009654 -0.005595 0.007158 -0.031120 0.002635 0Rh 1f+1 0.006983 -0.007980 0.006398 -0.012785 -0.001681 -0.013245 0Rh 1f-1 -0.009220 -0.001630 0.004189 0.011543 -0.023824 -0.048572 0Rh 1f+2 0.004698 -0.011780 0.005298 0.008368 -0.026464 0.038847 0Rh 1f-2 -0.002388 -0.004713 0.006211 -0.028718 -0.036063 -0.009160 0Rh 1f+3 -0.002083 -0.014727 0.008779 0.003666 0.025665 -0.016827 0Rh 1f-3 0.003181 -0.009323 0.006108 0.015776 -0.014785 -0.001620 1Rh 1s 0.000129 -0.003354 0.000017 0.000003 -0.000081 0.000119 1Rh 2s -0.000767 0.025035 -0.011949 -0.000550 0.000564 -0.001409 1Rh 3s 0.000337 -0.005721 -0.006904 -0.000305 -0.000163 -0.000103 1Rh 4s 0.005135 -0.163571 0.070746 0.003268 -0.003736 0.008869 1Rh 5s -0.014559 0.475567 -0.232707 -0.010741 0.010821 -0.026551 1Rh 6s 0.017214 -0.640574 0.467824 0.021471 -0.013588 0.039640 1Rh 7s -0.043322 1.644265 -1.824327 -0.083403 0.017176 -0.110932 1Rh 8s 0.034258 0.111992 0.474213 0.024433 -0.065931 -0.069450 1Rh 1pz 0.041416 -0.021218 0.004075 -0.000675 0.015392 -0.058485 1Rh 1px 0.012148 0.062887 -0.018807 -0.001575 0.018621 -0.014641 1Rh 1py 0.004849 0.012094 -0.004238 0.000920 -0.058863 -0.019921 1Rh 2pz -0.174876 0.089600 -0.017306 0.002848 -0.065498 0.248834 1Rh 2px -0.051297 -0.265529 0.079902 0.006674 -0.079150 0.062312 1Rh 2py -0.020479 -0.051060 0.018034 -0.003891 0.250447 0.084758 1Rh 3pz 0.605021 -0.309090 0.061839 -0.009643 0.235692 -0.894510 1Rh 3px 0.177497 0.915441 -0.285435 -0.023469 0.282959 -0.224304 1Rh 3py 0.070998 0.175965 -0.064872 0.013480 -0.900462 -0.304744 1Rh 4pz -0.874459 0.437984 -0.095276 0.012643 -0.362638 1.373709 1Rh 4px -0.256471 -1.295641 0.435358 0.034358 -0.429837 0.344820 1Rh 4py -0.103149 -0.248849 0.099378 -0.018823 1.383228 0.468139 1Rh 5pz 0.617849 -0.268974 0.076306 -0.005164 0.282005 -1.064914 1Rh 5px 0.180484 0.792052 -0.329865 -0.022764 0.325451 -0.265762 1Rh 5py 0.074501 0.151532 -0.072837 0.009764 -1.072484 -0.363454 1Rh 6pz -0.174571 -0.267138 -0.069471 0.030023 -0.133928 0.572147 1Rh 6px -0.050390 0.833594 0.151452 0.005918 -0.197818 0.082664 1Rh 6py -0.039076 0.177974 -0.016158 0.035696 0.560641 0.199540 1Rh 1dz2 0.003999 0.005827 0.000326 0.009489 -0.001844 0.006219 1Rh 1dxz -0.006053 0.008527 0.001901 -0.001037 0.002491 -0.012175 1Rh 1dyz 0.001071 0.001273 -0.000509 0.023360 0.004399 -0.002704 1Rh 1dx2y2 -0.001542 -0.012576 -0.002489 0.003414 0.006112 -0.002101 1Rh 1dxy 0.000023 -0.004127 -0.002290 0.008308 -0.012483 -0.005227 1Rh 2dz2 -0.000373 -0.001393 0.001915 -0.006983 0.001228 -0.003735 1Rh 2dxz 0.000432 -0.002168 0.001830 0.000919 -0.001586 0.007711 1Rh 2dyz -0.000692 -0.000251 0.000973 -0.017542 -0.002582 0.001760 1Rh 2dx2y2 -0.000050 0.003143 -0.002743 -0.002765 -0.003740 0.001055 1Rh 2dxy -0.000383 0.000908 -0.000218 -0.006593 0.007841 0.003231 1Rh 3dz2 -0.020979 -0.026556 -0.012301 -0.018693 0.004379 -0.017101 1Rh 3dxz 0.032413 -0.038257 -0.021218 0.001237 -0.006380 0.031260 1Rh 3dyz -0.002701 -0.006091 -0.002260 -0.044172 -0.012404 0.006627 1Rh 3dx2y2 0.009052 0.056617 0.029664 -0.005373 -0.016371 0.006888 1Rh 3dxy 0.001779 0.019254 0.014848 -0.013782 0.032429 0.013864 1Rh 4dz2 0.056095 0.069949 0.049353 0.013552 -0.006687 0.033400 1Rh 4dxz -0.086870 0.100376 0.075986 0.001344 0.011521 -0.055138 1Rh 4dyz 0.005623 0.016383 0.013219 0.026091 0.024725 -0.010294 1Rh 4dx2y2 -0.024773 -0.148449 -0.107626 -0.000740 0.030448 -0.015776 1Rh 4dxy -0.005926 -0.051271 -0.047346 0.001004 -0.058327 -0.025535 1Rh 5dz2 -0.127520 -0.152333 -0.217717 0.222262 -0.012544 -0.011664 1Rh 5dxz 0.201017 -0.219796 -0.293951 -0.031646 0.003068 -0.024483 1Rh 5dyz -0.001887 -0.036189 -0.079703 0.575772 -0.014857 -0.018179 1Rh 5dx2y2 0.058594 0.322819 0.425602 0.105710 -0.000421 0.020116 1Rh 5dxy 0.019452 0.114395 0.160642 0.245831 -0.019213 -0.004238 1Rh 1f0 -0.006171 0.009656 0.005615 -0.007829 -0.030944 0.002888 1Rh 1f+1 -0.006960 -0.007972 -0.006207 0.012429 -0.001992 -0.013582 1Rh 1f-1 0.009189 -0.001596 -0.003781 -0.013274 -0.023612 -0.048328 1Rh 1f+2 -0.004654 -0.011783 -0.005650 -0.008073 -0.026335 0.039119 1Rh 1f-2 0.002483 -0.004704 -0.006086 0.027682 -0.036713 -0.009838 1Rh 1f+3 0.002077 -0.014708 -0.008644 -0.003473 0.025705 -0.016789 1Rh 1f-3 -0.003176 -0.009329 -0.006103 -0.016096 -0.014458 -0.001270 2C 1s -0.000349 0.000301 -0.001918 0.002670 0.001293 0.004020 2C 2s -0.000811 0.000601 0.000609 0.000057 0.000514 0.002392 2C 3s 0.027482 -0.015490 -0.208924 0.258042 0.084159 0.233936 2C 4s -0.089925 0.054760 1.270299 -1.495710 -0.512316 -1.520835 2C 5s 0.482560 -0.199159 -0.332997 0.481354 0.239320 0.360429 2C 1pz 0.003644 -0.001559 -0.029000 0.029261 0.004671 0.018987 2C 1px -0.012772 0.003297 -0.008937 0.009177 0.001551 0.007067 2C 1py -0.004995 0.000310 -0.017986 0.018528 0.004363 0.011581 2C 2pz -0.058003 0.017071 0.815017 -0.879079 -0.272542 -0.913928 2C 2px 0.107113 -0.003296 0.186729 -0.203587 -0.071384 -0.226371 2C 2py 0.037673 0.001275 0.550360 -0.592080 -0.192645 -0.620867 2C 3pz 0.069677 -0.024137 -0.010226 -0.022803 0.026506 -0.033125 2C 3px 0.027259 -0.005558 -0.082288 0.090572 0.032394 0.032783 2C 3py 0.041174 -0.016216 0.010167 -0.024795 -0.023126 -0.020380 2C 1dz2 -0.010933 0.000783 0.017753 -0.025287 -0.008238 -0.028022 2C 1dxz 0.019272 -0.000830 0.017145 -0.014720 -0.002990 -0.023756 2C 1dyz -0.003869 -0.000157 0.027691 -0.038115 -0.015445 -0.044354 2C 1dx2y2 0.000957 -0.001483 -0.011170 0.012990 0.005646 0.014052 2C 1dxy 0.014110 -0.000465 0.008034 -0.007558 -0.003465 -0.013021 2C 2dz2 -0.061813 0.012130 0.182537 -0.207450 -0.040393 -0.210592 2C 2dxz 0.111265 -0.020532 0.062499 -0.051213 0.010374 -0.074123 2C 2dyz -0.016709 0.012395 0.301066 -0.333717 -0.118943 -0.337749 2C 2dx2y2 0.003452 0.001458 -0.069801 0.076531 0.037797 0.072402 2C 2dxy 0.059411 -0.008590 0.058468 -0.050829 -0.025595 -0.061731 2C 1f0 -0.043958 0.010440 0.003758 -0.016467 0.005166 -0.011713 2C 1f+1 0.032751 -0.005212 0.021629 -0.027487 -0.002113 -0.038312 2C 1f-1 -0.019395 0.005135 0.034556 -0.049966 -0.017617 -0.043025 2C 1f+2 0.028888 -0.009745 -0.019450 0.039238 0.020990 0.030527 2C 1f-2 0.049604 -0.009330 0.019137 -0.022349 -0.010515 -0.026362 2C 1f+3 0.029445 -0.007755 0.011150 -0.004138 0.008712 -0.013341 2C 1f-3 -0.012815 0.003580 0.007276 -0.015452 -0.018871 -0.011524 3C 1s -0.000266 0.000201 -0.001626 -0.002768 -0.004069 0.001413 3C 2s -0.000561 0.000410 0.000650 0.000019 -0.002426 0.000490 3C 3s 0.012072 -0.011906 -0.183171 -0.273083 -0.236917 0.092404 3C 4s -0.050883 0.040071 1.120578 1.586995 1.540597 -0.553523 3C 5s 0.021999 -0.160133 -0.291351 -0.489605 -0.344923 0.256808 3C 1pz 0.003959 -0.000919 -0.013370 -0.015234 -0.009014 0.003391 3C 1px -0.005476 0.003346 -0.010452 -0.014122 -0.008809 0.003395 3C 1py -0.000523 0.001211 0.026642 0.032943 0.020055 -0.005375 3C 2pz -0.037587 0.000272 0.436223 0.540158 0.542822 -0.164717 3C 2px 0.045566 -0.008803 0.280390 0.383455 0.371277 -0.135903 3C 2py 0.014651 -0.014194 -0.731797 -0.945648 -0.928217 0.290012 3C 3pz -0.009253 -0.015220 0.040828 0.083132 0.041507 -0.037096 3C 3px 0.030130 -0.004676 -0.036267 -0.051769 -0.008798 0.009775 3C 3py 0.024382 0.021708 0.034177 0.005587 -0.025648 -0.033313 3C 1dz2 -0.002367 0.000266 -0.003964 -0.008090 -0.010325 0.003058 3C 1dxz 0.005680 0.001352 0.009446 0.015155 0.015518 -0.008021 3C 1dyz 0.005512 -0.000314 -0.019745 -0.031985 -0.036778 0.012765 3C 1dx2y2 0.005881 -0.000517 -0.021301 -0.027463 -0.032600 0.006593 3C 1dxy -0.010702 0.001022 -0.015551 -0.027522 -0.029846 0.011222 3C 2dz2 -0.026980 0.001533 -0.044740 -0.058881 -0.058979 0.004596 3C 2dxz 0.040168 -0.010215 0.066878 0.093402 0.086118 -0.040989 3C 2dyz 0.029614 -0.015266 -0.247735 -0.326351 -0.306860 0.121260 3C 2dx2y2 0.040929 -0.007779 -0.155151 -0.196808 -0.200717 0.028060 3C 2dxy -0.044722 0.012486 -0.131762 -0.173443 -0.171537 0.049709 3C 1f0 -0.003381 0.002030 -0.019546 -0.024211 -0.023168 -0.000240 3C 1f+1 -0.005651 0.002201 0.002570 0.009093 0.005774 -0.017468 3C 1f-1 0.011144 -0.004060 -0.004314 -0.001170 0.000505 0.006682 3C 1f+2 0.023527 -0.010492 -0.018497 -0.035064 -0.026888 0.019437 3C 1f-2 -0.011721 0.001391 -0.019037 -0.043931 -0.037613 0.023426 3C 1f+3 0.022691 -0.007882 0.020466 0.042625 0.040384 -0.018267 3C 1f-3 0.031847 -0.011775 -0.016715 -0.024208 -0.029261 -0.004739 4C 1s -0.001393 -0.000350 0.001350 -0.001829 -0.003359 -0.011109 4C 2s -0.001852 -0.000531 -0.001680 0.004220 -0.002324 -0.007436 4C 3s -0.020850 -0.000871 0.514882 -0.714282 -0.244521 -0.796747 4C 4s 0.181054 0.010478 -2.517959 3.328209 1.219139 3.954744 4C 5s -0.150323 0.106652 -0.399301 0.379982 0.131226 0.701291 4C 1pz -0.014192 0.018966 -0.040600 0.028958 0.020175 0.048478 4C 1px 0.051914 -0.054404 -0.006126 0.004864 0.007876 0.008630 4C 1py 0.011546 -0.009600 -0.025021 0.016796 0.001554 0.033971 4C 2pz -0.096971 0.033872 0.311503 -0.197080 0.067931 -0.077810 4C 2px 0.346450 -0.030357 0.090808 -0.048755 0.058740 -0.064052 4C 2py 0.067362 0.013570 0.208114 -0.114679 -0.167624 0.013456 4C 3pz 0.256908 -0.078088 -0.496952 0.505691 0.101771 0.489442 4C 3px -0.125441 0.087870 -0.052261 0.039012 -0.052519 0.057030 4C 3py 0.115391 -0.015557 -0.346075 0.334930 0.223477 0.284533 4C 1dz2 -0.016531 0.009402 0.024619 -0.015308 0.012833 -0.063296 4C 1dxz 0.026169 -0.026429 0.029582 -0.040419 -0.012829 -0.083989 4C 1dyz 0.000342 -0.000897 0.001903 0.029729 -0.010041 0.017524 4C 1dx2y2 0.007926 0.004443 -0.052344 0.066338 0.058428 0.132587 4C 1dxy 0.028607 -0.016409 -0.023936 0.032311 0.021342 0.068308 4C 2dz2 -0.152844 -0.015463 -0.313154 0.297739 0.173837 0.288632 4C 2dxz 0.205634 0.011839 -0.083667 0.080642 0.036628 -0.031802 4C 2dyz 0.000620 0.000093 -0.581470 0.621472 0.168595 0.737331 4C 2dx2y2 0.055265 0.005544 0.027511 0.034328 0.108653 0.129329 4C 2dxy 0.179860 0.013487 -0.174116 0.228369 0.104766 0.297684 4C 1f0 0.069617 -0.025299 0.040757 -0.053591 -0.033860 -0.096761 4C 1f+1 -0.079983 0.020266 0.042618 -0.100188 -0.112924 -0.135172 4C 1f-1 0.007887 0.002304 0.012539 -0.033804 -0.002746 -0.048443 4C 1f+2 -0.058588 0.027141 -0.048850 0.088656 0.073911 0.141653 4C 1f-2 -0.072615 0.014430 -0.013459 -0.011129 0.073182 -0.005910 4C 1f+3 -0.095629 0.032739 -0.014344 0.003023 -0.082716 0.056847 4C 1f-3 -0.039967 0.013406 0.043669 -0.083763 0.046601 -0.166267 5C 1s 0.000757 0.000044 0.000978 0.002013 0.011090 -0.003469 5C 2s 0.000751 0.000003 -0.001708 -0.004118 0.007523 -0.002443 5C 3s 0.020228 0.002522 0.447363 0.749993 0.797104 -0.255259 5C 4s -0.112766 -0.021547 -2.188412 -3.516698 -3.961849 1.276519 5C 5s -0.115215 0.064075 -0.363434 -0.428021 -0.706615 0.123564 5C 1pz -0.009979 0.017750 -0.018996 -0.015698 -0.030669 -0.001686 5C 1px 0.028452 -0.053830 -0.016295 -0.013577 -0.017439 0.009710 5C 1py 0.005635 -0.009676 0.035813 0.031757 0.050124 -0.020860 5C 2pz -0.085079 0.023554 0.147553 0.085004 -0.036273 -0.156687 5C 2px 0.164814 -0.022922 0.103047 0.090774 0.034594 -0.064722 5C 2py 0.074766 -0.015836 -0.317610 -0.233606 -0.104702 -0.080088 5C 3pz -0.026527 -0.058482 -0.292150 -0.346797 -0.252170 0.231206 5C 3px -0.137001 0.065754 -0.166918 -0.168278 -0.159355 0.058471 5C 3py 0.074474 0.068822 0.440861 0.522501 0.464198 -0.082136 5C 1dz2 -0.002047 0.010073 0.017614 0.044535 0.071772 -0.052960 5C 1dxz 0.013867 -0.012762 0.028949 0.037909 0.081515 -0.036123 5C 1dyz 0.007378 -0.011080 0.009322 0.043614 0.051610 0.001184 5C 1dx2y2 0.002007 -0.011077 -0.043431 -0.061371 -0.131513 0.020796 5C 1dxy -0.020139 0.022636 -0.016577 -0.007940 -0.041193 0.002432 5C 2dz2 -0.039774 -0.004924 0.165838 0.252092 0.317300 -0.185709 5C 2dxz 0.096833 0.013470 -0.094694 -0.076940 -0.021350 -0.046315 5C 2dyz 0.066644 0.010246 0.478939 0.634156 0.734695 -0.188375 5C 2dx2y2 0.041078 0.007802 0.201483 0.206541 0.096592 -0.103054 5C 2dxy -0.118091 -0.022117 0.273226 0.307240 0.298493 -0.082904 5C 1f0 0.021498 -0.020885 0.017358 0.030983 0.071446 0.022226 5C 1f+1 -0.005162 0.012541 0.035215 0.069036 0.134034 0.060312 5C 1f-1 -0.011481 0.003049 0.011483 -0.001772 0.006024 0.053425 5C 1f+2 -0.048351 0.028840 -0.003965 -0.036928 -0.056759 -0.065213 5C 1f-2 -0.004836 0.004720 -0.031865 -0.075450 -0.115224 0.049965 5C 1f+3 -0.057612 0.033857 0.036964 0.084678 0.136163 -0.035226 5C 1f-3 -0.056607 0.021237 -0.034444 -0.105482 -0.144345 0.139614 6C 1s 0.000773 -0.000053 0.000967 0.001816 -0.011149 0.003445 6C 2s 0.000785 -0.000016 -0.001714 -0.004273 -0.007458 0.002569 6C 3s 0.019537 -0.002677 0.446132 0.736850 -0.813625 0.241109 6C 4s -0.110421 0.022964 -2.182677 -3.449917 4.040629 -1.212892 6C 5s -0.117853 -0.065618 -0.365092 -0.413156 0.716407 -0.118112 6C 1pz 0.010115 0.017786 0.019116 0.014934 -0.030960 -0.001767 6C 1px -0.028559 -0.053988 0.015893 0.013367 -0.017912 0.009352 6C 1py -0.005712 -0.009672 -0.035662 -0.030987 0.050730 -0.020585 6C 2pz 0.085885 0.023296 -0.145251 -0.089776 -0.035055 -0.156077 6C 2px -0.167421 -0.021016 -0.102800 -0.091351 0.036779 -0.064744 6C 2py -0.075169 -0.015880 0.316499 0.230189 -0.107316 -0.083560 6C 3pz 0.026979 -0.059387 0.291982 0.344511 -0.263233 0.225469 6C 3px 0.134371 0.066232 0.167131 0.164445 -0.164149 0.055317 6C 3py -0.074543 0.069787 -0.443515 -0.511716 0.481181 -0.074527 6C 1dz2 -0.002094 -0.010040 0.017244 0.043952 -0.072902 0.052148 6C 1dxz 0.013990 0.012622 0.028820 0.036794 -0.082427 0.035639 6C 1dyz 0.007438 0.011009 0.009421 0.042324 -0.052477 -0.002218 6C 1dx2y2 0.001881 0.010995 -0.043321 -0.058753 0.132867 -0.019873 6C 1dxy -0.020495 -0.022551 -0.016709 -0.007045 0.041334 -0.002375 6C 2dz2 -0.039628 0.005114 0.164930 0.248598 -0.323298 0.181452 6C 2dxz 0.096690 -0.013877 -0.094773 -0.075913 0.022327 0.047362 6C 2dyz 0.066491 -0.010729 0.477611 0.620758 -0.748422 0.177730 6C 2dx2y2 0.041508 -0.008037 0.199495 0.206294 -0.099886 0.100592 6C 2dxy -0.118362 0.022596 0.272573 0.302755 -0.304791 0.077988 6C 1f0 -0.021707 -0.020860 -0.017698 -0.028762 0.072245 0.022692 6C 1f+1 0.005238 0.012450 -0.035870 -0.064555 0.135386 0.061989 6C 1f-1 0.011485 0.003128 -0.011726 0.003115 0.005708 0.053624 6C 1f+2 0.048478 0.028830 0.004682 0.034202 -0.057446 -0.065894 6C 1f-2 0.004813 0.004453 0.031531 0.073789 -0.116920 0.048315 6C 1f+3 0.057665 0.033842 -0.036756 -0.082208 0.137884 -0.032973 6C 1f-3 0.056309 0.021202 0.033702 0.105089 -0.146980 0.137897 7C 1s -0.001431 0.000355 0.001261 -0.001470 0.003386 0.011182 7C 2s -0.001915 0.000536 -0.001732 0.004476 0.002208 0.007353 7C 3s -0.020114 0.001201 0.507748 -0.688878 0.259054 0.818314 7C 4s 0.179784 -0.012054 -2.482959 3.200961 -1.285062 -4.057608 7C 5s -0.152807 -0.109167 -0.394323 0.360550 -0.142580 -0.712806 7C 1pz 0.014208 0.019118 0.039931 -0.027198 0.020676 0.049364 7C 1px -0.052050 -0.054714 0.006290 -0.004303 0.007634 0.008730 7C 1py -0.011555 -0.009592 0.024959 -0.016040 0.001825 0.034906 7C 2pz 0.097474 0.033592 -0.307810 0.194685 0.066196 -0.084169 7C 2px -0.350648 -0.030069 -0.089330 0.048372 0.057505 -0.065362 7C 2py -0.068544 0.013665 -0.210348 0.114642 -0.169145 0.008302 7C 3pz -0.258843 -0.079612 0.493700 -0.492202 0.115838 0.506885 7C 3px 0.125797 0.088903 0.051645 -0.037010 -0.051451 0.057851 7C 3py -0.117606 -0.016292 0.343590 -0.321902 0.232736 0.295804 7C 1dz2 -0.016766 -0.009304 0.024062 -0.013932 -0.012327 0.064190 7C 1dxz 0.026361 0.026464 0.028825 -0.038003 0.013723 0.085510 7C 1dyz 0.000392 0.000922 0.002191 0.029400 0.009251 -0.018303 7C 1dx2y2 0.008165 -0.004608 -0.051317 0.061742 -0.059910 -0.134494 7C 1dxy 0.028811 0.016408 -0.023525 0.030112 -0.021834 -0.069365 7C 2dz2 -0.153998 0.015387 -0.308284 0.284238 -0.178417 -0.294568 7C 2dxz 0.206185 -0.011888 -0.082084 0.079562 -0.037803 0.030505 7C 2dyz -0.000336 -0.000455 -0.575520 0.600601 -0.182075 -0.758953 7C 2dx2y2 0.055288 -0.005597 0.029845 0.026874 -0.109491 -0.127584 7C 2dxy 0.181419 -0.013502 -0.171442 0.218719 -0.109311 -0.305319 7C 1f0 -0.069468 -0.025465 -0.039511 0.050108 -0.035315 -0.097644 7C 1f+1 0.080059 0.020371 -0.041399 0.093922 -0.114641 -0.137513 7C 1f-1 -0.007918 0.002135 -0.012169 0.032591 -0.003154 -0.049545 7C 1f+2 0.058741 0.027241 0.048125 -0.084114 0.076185 0.144170 7C 1f-2 0.072751 0.014730 0.013920 0.012082 0.072890 -0.006540 7C 1f+3 0.096334 0.032992 0.013930 -0.003486 -0.082406 0.057705 7C 1f-3 0.040224 0.013354 -0.042096 0.080626 0.044402 -0.169396 8C 1s -0.000268 -0.000207 -0.001620 -0.002702 0.004129 -0.001357 8C 2s -0.000569 -0.000421 0.000647 0.000067 0.002425 -0.000486 8C 3s 0.012513 0.012241 -0.182273 -0.269544 0.242607 -0.087264 8C 4s -0.052618 -0.041348 1.115276 1.562990 -1.573231 0.524879 8C 5s 0.026101 0.163717 -0.291178 -0.485012 0.361283 -0.245956 8C 1pz -0.003955 -0.000915 0.013336 0.015147 -0.009302 0.003173 8C 1px 0.005475 0.003316 0.010456 0.014069 -0.009162 0.003188 8C 1py 0.000523 0.001227 -0.026535 -0.032533 0.020699 -0.004839 8C 2pz 0.037694 0.000337 -0.434423 -0.531184 0.553179 -0.156078 8C 2px -0.045253 -0.008223 -0.279251 -0.378395 0.379970 -0.129839 8C 2py -0.014749 -0.014666 0.729205 0.930150 -0.947624 0.274093 8C 3pz 0.008345 -0.015404 -0.039821 -0.082551 0.042513 -0.035336 8C 3px -0.029514 -0.004881 0.037552 0.053505 -0.011368 0.009315 8C 3py -0.023997 0.022178 -0.033733 -0.005428 -0.024736 -0.032965 8C 1dz2 -0.002371 -0.000286 -0.003954 -0.007923 0.010498 -0.002899 8C 1dxz 0.005641 -0.001347 0.009412 0.014979 -0.015857 0.007837 8C 1dyz 0.005569 0.000339 -0.019664 -0.031433 0.037439 -0.012112 8C 1dx2y2 0.005884 0.000555 -0.021173 -0.026779 0.033033 -0.006048 8C 1dxy -0.010721 -0.001022 -0.015523 -0.027124 0.030493 -0.010793 8C 2dz2 -0.026623 -0.001378 -0.044984 -0.057877 0.060674 -0.003822 8C 2dxz 0.040245 0.010211 0.066288 0.091846 -0.087393 0.039621 8C 2dyz 0.029641 0.015567 -0.246771 -0.321916 0.314022 -0.115650 8C 2dx2y2 0.040818 0.007845 -0.154949 -0.193127 0.204802 -0.025046 8C 2dxy -0.044430 -0.012387 -0.131097 -0.170138 0.174771 -0.046752 8C 1f0 0.003444 0.002050 0.019530 0.023622 -0.023638 -0.000632 8C 1f+1 0.005701 0.002214 -0.002516 -0.009307 0.006041 -0.017129 8C 1f-1 -0.011100 -0.004091 0.004235 0.001349 0.000487 0.006684 8C 1f+2 -0.023587 -0.010547 0.018275 0.034759 -0.027533 0.018543 8C 1f-2 0.011565 0.001340 0.018865 0.043646 -0.038643 0.022550 8C 1f+3 -0.022470 -0.007797 -0.020436 -0.042081 0.041367 -0.017482 8C 1f-3 -0.031898 -0.011861 0.016639 0.023386 -0.029666 -0.005375 9C 1s -0.000366 -0.000312 -0.001888 0.002544 -0.001338 -0.004098 9C 2s -0.000836 -0.000616 0.000620 -0.000009 -0.000527 -0.002383 9C 3s 0.027705 0.015610 -0.206462 0.250156 -0.088182 -0.241980 9C 4s -0.089595 -0.054667 1.254839 -1.445635 0.536948 1.567596 9C 5s 0.490118 0.203897 -0.329273 0.466068 -0.246724 -0.377190 9C 1pz -0.003597 -0.001532 0.028639 -0.028526 0.005184 0.019810 9C 1px 0.012746 0.003312 0.008832 -0.008921 0.001703 0.007318 9C 1py 0.005050 0.000307 0.018072 -0.018350 0.004797 0.012331 9C 2pz 0.056682 0.016302 -0.804152 0.847982 -0.288419 -0.939847 9C 2px -0.106653 -0.003253 -0.183704 0.195330 -0.074653 -0.231859 9C 2py -0.037871 0.001518 -0.546805 0.575498 -0.205476 -0.642870 9C 3pz -0.070670 -0.024662 0.008947 0.024790 0.025972 -0.034224 9C 3px -0.027567 -0.005815 0.082579 -0.090026 0.034521 0.036089 9C 3py -0.041847 -0.016740 -0.007183 0.020837 -0.022994 -0.019293 9C 1dz2 -0.010922 -0.000818 0.017251 -0.024127 0.008628 0.028504 9C 1dxz 0.019386 0.000850 0.016885 -0.013985 0.003294 0.024076 9C 1dyz -0.003861 0.000186 0.027391 -0.036808 0.016133 0.045715 9C 1dx2y2 0.000937 0.001449 -0.011161 0.012635 -0.005999 -0.014632 9C 1dxy 0.014187 0.000579 0.008011 -0.007276 0.003664 0.013301 9C 2dz2 -0.061796 -0.012210 0.179517 -0.200705 0.044332 0.216455 9C 2dxz 0.111738 0.020852 0.060746 -0.048610 -0.009655 0.074157 9C 2dyz -0.016529 -0.012385 0.298226 -0.323043 0.125282 0.349094 9C 2dx2y2 0.003107 -0.001572 -0.069745 0.074393 -0.039957 -0.075258 9C 2dxy 0.059861 0.008789 0.057858 -0.048378 0.026252 0.063273 9C 1f0 0.043784 0.010529 -0.003277 0.015889 0.005182 -0.011918 9C 1f+1 -0.032464 -0.005189 -0.021140 0.026420 -0.002490 -0.038944 9C 1f-1 0.019582 0.005189 -0.034063 0.048395 -0.018253 -0.044521 9C 1f+2 -0.028888 -0.009812 0.019258 -0.038298 0.021467 0.032021 9C 1f-2 -0.050020 -0.009511 -0.019005 0.021456 -0.010690 -0.027018 9C 1f+3 -0.029991 -0.007887 -0.011039 0.004047 0.008497 -0.013554 9C 1f-3 0.012792 0.003615 -0.007447 0.014834 -0.019030 -0.012283 10H 1s 0.027751 -0.010709 -0.005074 0.013305 0.011934 0.004681 10H 2s 0.005606 -0.004082 0.008488 0.036057 0.024689 0.029329 10H 3s -0.050052 0.030112 0.085874 -0.160134 -0.053205 -0.104176 10H 1pz -0.003700 0.002616 0.006108 -0.000832 0.005206 -0.003694 10H 1px -0.013389 0.003815 -0.002954 -0.012756 -0.008335 -0.006083 10H 1py -0.001546 0.002227 0.002296 -0.001987 -0.000590 -0.000766 11H 1s 0.002912 -0.003020 0.014201 -0.012306 -0.003899 -0.014594 11H 2s -0.043922 0.022013 0.007954 0.003646 -0.033261 -0.000231 11H 3s -0.046983 0.023370 -0.026887 -0.019540 -0.017049 -0.039162 11H 1pz -0.004469 0.001795 -0.015613 0.020631 -0.000251 0.020441 11H 1px -0.004669 0.001253 0.007220 -0.004333 -0.003749 -0.004569 11H 1py 0.005249 -0.001348 -0.017925 0.016396 0.008900 0.017859 12H 1s 0.004791 -0.002778 0.006049 -0.006029 0.008775 -0.008506 12H 2s -0.007973 0.012042 0.021728 -0.003706 0.004551 -0.023207 12H 3s -0.070275 0.025333 0.005700 -0.056592 -0.034119 -0.050643 12H 1pz 0.005440 -0.000789 -0.015542 0.014458 0.002722 0.014664 12H 1px 0.000655 -0.000306 0.007917 -0.005837 -0.002579 -0.007449 12H 1py 0.002937 -0.001913 0.001546 0.004460 0.007746 -0.001346 13H 1s 0.014195 -0.008645 -0.005352 -0.009787 -0.004794 0.012859 13H 2s 0.006635 -0.003235 0.017467 -0.029356 -0.016762 0.025835 13H 3s -0.033578 0.019479 0.057046 0.155931 0.092904 -0.059394 13H 1pz 0.000091 0.000714 0.004744 -0.004675 -0.001751 0.005677 13H 1px -0.008906 0.002636 -0.004231 0.007290 0.002754 -0.007659 13H 1py 0.002091 -0.002975 -0.005266 -0.003661 -0.005340 -0.003602 14H 1s -0.005650 -0.001416 0.005942 0.002613 0.007878 0.013242 14H 2s -0.026631 0.007067 0.027661 0.001515 0.016316 0.006179 14H 3s 0.009002 0.019442 0.013988 0.072456 0.060879 -0.039565 14H 1pz -0.002687 -0.002527 -0.000643 -0.007040 -0.002927 0.008531 14H 1px -0.005058 -0.002180 0.011984 0.004772 0.009188 0.003647 14H 1py -0.004142 0.001812 0.010166 0.008608 0.009351 -0.000155 15H 1s 0.005393 -0.002272 0.014312 0.016169 0.017267 -0.002019 15H 2s 0.000248 0.016661 0.001665 -0.007023 -0.015055 -0.033180 15H 3s -0.021994 0.019269 -0.028949 0.006815 0.040550 -0.017918 15H 1pz 0.000404 -0.000826 -0.019518 -0.021337 -0.020439 0.009090 15H 1px -0.001978 -0.000214 -0.002605 -0.005084 -0.006116 0.002000 15H 1py -0.002104 -0.002078 0.014565 0.022461 0.024001 -0.000447 16H 1s 0.006686 0.001463 0.104139 -0.019477 0.005214 0.013245 16H 2s -0.049811 -0.056620 0.186728 -0.025711 -0.023249 -0.009011 16H 3s -0.060237 -0.008076 -0.049487 -0.025422 -0.005858 -0.031720 16H 1pz -0.013370 -0.015359 0.123614 -0.014063 -0.002677 0.016244 16H 1px 0.049288 0.000880 -0.011994 0.000544 -0.001406 -0.001593 16H 1py 0.022421 -0.008984 0.077073 -0.006075 0.003215 0.011887 17H 1s 0.015687 0.002430 0.100249 0.020069 0.012219 0.005132 17H 2s 0.041837 -0.058674 0.180256 0.030832 -0.019380 -0.014099 17H 3s 0.036294 -0.006803 -0.054757 0.017815 -0.025241 0.007750 17H 1pz 0.000254 0.008848 -0.071974 -0.011304 -0.003761 0.004413 17H 1px -0.044200 0.011990 -0.080925 -0.010705 -0.005975 0.005292 17H 1py -0.011990 -0.011223 0.095393 0.012375 0.013097 -0.001695 18H 1s 0.016090 -0.002472 0.100446 0.018899 -0.011294 -0.006761 18H 2s 0.038480 0.058783 0.180783 0.029948 0.018806 0.013898 18H 3s 0.037465 0.006783 -0.054911 0.017607 0.024208 -0.008664 18H 1pz -0.001688 0.009099 0.074560 0.010945 -0.003578 0.003979 18H 1px 0.044122 0.012000 0.081592 0.010118 -0.005637 0.005103 18H 1py 0.012820 -0.010895 -0.093333 -0.011423 0.012535 -0.001128 19H 1s 0.006626 -0.001307 0.104246 -0.020440 -0.003005 -0.013074 19H 2s -0.053616 0.057014 0.186833 -0.026291 0.024883 0.010907 19H 3s -0.059169 0.007981 -0.049744 -0.024552 0.006777 0.031940 19H 1pz 0.015002 -0.015487 -0.122047 0.015076 -0.004011 0.015472 19H 1px -0.048725 0.000973 0.013171 -0.000738 -0.001357 -0.001621 19H 1py -0.022173 -0.009220 -0.079765 0.006895 0.002112 0.011713 20H 1s 0.005473 0.002316 0.014212 0.015674 -0.017520 0.001874 20H 2s 0.000240 -0.017098 0.001796 -0.005743 0.014451 0.033240 20H 3s -0.023006 -0.019697 -0.028801 0.006602 -0.041020 0.017362 20H 1pz -0.000351 -0.000863 0.019444 0.020997 -0.020900 0.008770 20H 1px 0.001950 -0.000170 0.002396 0.004788 -0.006001 0.001857 20H 1py 0.002129 -0.002120 -0.014450 -0.021815 0.024242 0.000005 21H 1s -0.005452 0.001506 0.006168 0.002383 -0.008079 -0.013023 21H 2s -0.026812 -0.007447 0.027477 0.001257 -0.016545 -0.005881 21H 3s 0.008369 -0.019941 0.012876 0.070365 -0.062134 0.037324 21H 1pz 0.002735 -0.002490 0.000625 0.007193 -0.003136 0.008431 21H 1px 0.004990 -0.002106 -0.011925 -0.004570 0.009291 0.003499 21H 1py 0.004114 0.001759 -0.010421 -0.008742 0.009867 -0.000143 22H 1s 0.014321 0.008782 -0.005323 -0.010093 0.005229 -0.012416 22H 2s 0.006728 0.003309 0.017563 -0.029762 0.018276 -0.024878 22H 3s -0.033783 -0.019953 0.057073 0.155718 -0.097248 0.056072 22H 1pz -0.000115 0.000683 -0.004782 0.004687 -0.001954 0.005293 22H 1px 0.008991 0.002698 0.004200 -0.007619 0.003208 -0.007428 22H 1py -0.001997 -0.002935 0.005381 0.003478 -0.005383 -0.003652 23H 1s 0.005163 0.002855 0.006335 -0.006361 -0.008047 0.009019 23H 2s -0.009173 -0.012869 0.020919 -0.003486 -0.004345 0.023805 23H 3s -0.071137 -0.025834 0.003442 -0.052198 0.034228 0.051287 23H 1pz -0.005312 -0.000741 0.015856 -0.014569 0.003268 0.015741 23H 1px -0.000493 -0.000199 -0.007695 0.005557 -0.002900 -0.007493 23H 1py -0.002753 -0.001676 -0.001303 -0.004398 0.007659 -0.001191 24H 1s 0.002962 0.003095 0.013848 -0.011585 0.004486 0.014629 24H 2s -0.044477 -0.022168 0.008445 0.004346 0.032782 0.001213 24H 3s -0.047853 -0.024015 -0.026531 -0.019315 0.016861 0.040078 24H 1pz 0.004438 0.001714 0.015188 -0.019872 0.000057 0.020688 24H 1px 0.004849 0.001266 -0.007464 0.004305 -0.004051 -0.005115 24H 1py -0.005235 -0.001291 0.017530 -0.015481 0.009199 0.018127 25H 1s 0.028146 0.010918 -0.005078 0.013012 -0.011686 -0.005365 25H 2s 0.005935 0.004132 0.008477 0.035011 -0.025003 -0.030781 25H 3s -0.051232 -0.030785 0.085425 -0.157206 0.055774 0.109555 25H 1pz 0.003498 0.002577 -0.006109 0.000790 0.005033 -0.003697 25H 1px 0.013564 0.003905 0.002886 0.012528 -0.008245 -0.006675 25H 1py 0.001754 0.002303 -0.002384 0.002293 -0.000962 -0.001037 26O 1s 0.000380 -0.001602 0.000146 0.001111 -0.000967 -0.002911 26O 2s 0.000364 -0.005228 0.000896 0.002042 -0.003637 -0.011082 26O 3s 0.020206 0.065606 -0.020389 0.018828 0.064673 0.197985 26O 4s -0.110587 -0.238042 -0.137497 0.028491 -0.175923 -0.508717 26O 5s -0.423074 0.369044 1.402523 -1.513926 -0.308891 -1.091792 26O 1pz -0.005894 0.008270 -0.019882 0.020552 0.026201 0.018920 26O 1px -0.012938 0.001890 0.046756 -0.052865 -0.006603 -0.068148 26O 1py -0.004994 0.006646 0.005372 -0.010366 -0.036912 0.000756 26O 2pz 0.095088 -0.067525 0.041329 -0.025370 -0.077511 0.001838 26O 2px 0.153293 0.015945 -0.265278 0.386772 0.122842 0.574526 26O 2py 0.104950 -0.037979 -0.076136 0.141652 0.196969 0.160743 26O 3pz -0.227565 0.197907 0.517176 -0.468497 -0.004425 -0.252016 26O 3px 0.326452 -0.181317 -0.195228 0.313365 0.182851 0.434947 26O 3py 0.029136 0.054766 0.240493 -0.175315 -0.093228 0.049642 26O 1dz2 0.067572 -0.073625 -0.206972 0.197315 0.015555 0.264629 26O 1dxz -0.367784 0.258396 0.189598 -0.220955 -0.163337 -0.208925 26O 1dyz 0.110661 -0.180910 -0.338472 0.289850 0.096977 0.350896 26O 1dx2y2 0.256333 -0.199214 -0.083390 0.078708 -0.095890 0.098772 26O 1dxy -0.020188 -0.039476 -0.036252 0.004288 0.091577 -0.040084 26O 2dz2 -0.017691 0.043414 0.124133 -0.090814 0.032462 -0.094509 26O 2dxz 0.195933 -0.159206 -0.173936 0.193801 0.165907 0.180877 26O 2dyz -0.104034 0.135116 0.268287 -0.232479 -0.070934 -0.268297 26O 2dx2y2 -0.190897 0.141264 0.131958 -0.158819 0.075901 -0.254366 26O 2dxy -0.052549 0.047266 0.072959 -0.081577 -0.156558 -0.077140 26O 1f0 -0.035297 0.015409 -0.025416 0.034104 0.018444 0.022794 26O 1f+1 -0.018017 -0.004238 0.012196 -0.019731 -0.038222 -0.048659 26O 1f-1 -0.060266 0.036260 0.023766 -0.035486 -0.060934 -0.075768 26O 1f+2 0.046930 0.003353 0.041772 -0.037723 -0.063652 0.000292 26O 1f-2 0.040002 -0.034293 0.002496 -0.026475 -0.025613 -0.025802 26O 1f+3 0.010467 0.012306 0.044794 -0.049397 0.078938 -0.109122 26O 1f-3 -0.055620 0.035683 0.029980 -0.021603 -0.040891 -0.057194 27O 1s 0.000107 -0.001514 0.000112 -0.000992 0.002826 -0.000942 27O 2s 0.000219 -0.004917 0.000697 -0.001670 0.010726 -0.003524 27O 3s 0.001903 0.060599 -0.016163 -0.022220 -0.194363 0.061492 27O 4s -0.016159 -0.222359 -0.125813 -0.047230 0.510279 -0.148157 27O 5s -0.071254 0.372856 1.267589 1.617058 1.093080 -0.347783 27O 1pz -0.003695 0.006251 -0.016225 -0.021794 -0.032910 -0.026426 27O 1px -0.003924 0.004631 0.041176 0.057056 0.059849 -0.028040 27O 1py -0.005870 -0.009288 0.008857 0.012119 0.007176 -0.028417 27O 2pz 0.030896 -0.047691 0.049105 0.071205 0.115359 0.107130 27O 2px 0.045462 -0.003228 -0.238091 -0.421042 -0.574341 0.209098 27O 2py -0.019097 0.066974 0.006756 0.029521 0.087470 0.077799 27O 3pz -0.149415 0.138596 0.317613 0.363034 0.163685 -0.174894 27O 3px 0.095739 -0.169196 -0.120861 -0.254021 -0.444812 0.101259 27O 3py 0.041197 -0.158159 -0.424977 -0.437930 -0.173636 -0.011631 27O 1dz2 -0.032752 0.121664 0.102765 0.092338 0.091307 -0.003533 27O 1dxz -0.139780 0.177082 0.106301 0.126485 0.165445 0.109938 27O 1dyz -0.163294 0.282111 0.358195 0.407712 0.417247 -0.190084 27O 1dx2y2 0.075018 -0.059617 0.073468 0.113660 0.157840 0.028099 27O 1dxy 0.136930 -0.123304 -0.031071 -0.061456 -0.064661 0.099228 27O 2dz2 0.033763 -0.097834 -0.117716 -0.144879 -0.179794 0.037439 27O 2dxz 0.084121 -0.110990 -0.105816 -0.146152 -0.203708 -0.124478 27O 2dyz 0.114773 -0.196752 -0.291300 -0.330267 -0.319249 0.165651 27O 2dx2y2 -0.055035 0.054691 -0.001014 0.031232 0.061004 -0.107661 27O 2dxy -0.057432 0.060066 0.014211 0.032560 0.006836 -0.111263 27O 1f0 0.017768 -0.021129 -0.034591 -0.064647 -0.100280 -0.030471 27O 1f+1 -0.017005 0.028984 0.022350 0.020989 0.049207 -0.014069 27O 1f-1 0.001991 -0.024155 -0.009752 -0.003059 -0.027829 -0.032558 27O 1f+2 0.019159 -0.020675 0.016894 0.030176 0.018401 0.064015 27O 1f-2 0.001617 0.030532 0.025068 0.005716 -0.022394 -0.045351 27O 1f+3 -0.007425 0.014963 0.024736 0.056510 0.080715 -0.095976 27O 1f-3 0.043961 -0.034644 0.005508 0.033660 -0.013787 -0.041996 28O 1s 0.000032 0.001290 0.000067 0.001042 -0.000841 -0.002914 28O 2s 0.000376 0.004187 0.000734 0.001847 -0.003153 -0.011017 28O 3s -0.016161 -0.051118 -0.022180 0.020175 0.057751 0.200740 28O 4s 0.073065 0.199311 -0.116254 0.040419 -0.153175 -0.542527 28O 5s 0.189946 -0.368907 1.397480 -1.502378 -0.333813 -1.073788 28O 1pz 0.003104 -0.011142 0.016091 -0.017887 0.016044 -0.026781 28O 1px -0.005086 0.001299 -0.046701 0.052669 0.031754 0.057954 28O 1py -0.005222 -0.005303 -0.007221 0.010775 -0.030670 0.020012 28O 2pz -0.110410 0.065706 -0.149170 0.218994 0.014937 0.367935 28O 2px 0.050514 0.021314 0.241358 -0.334867 -0.197976 -0.471536 28O 2py -0.030130 0.044161 -0.001612 0.000840 0.139425 -0.010124 28O 3pz 0.040168 -0.048873 0.305698 -0.202366 0.104047 0.108760 28O 3px 0.311193 -0.235953 0.363893 -0.422402 -0.098295 -0.488625 28O 3py 0.084684 -0.122649 0.343112 -0.293567 -0.132439 -0.079431 28O 1dz2 0.171978 -0.086651 -0.011404 0.005743 -0.123662 0.011369 28O 1dxz -0.059160 0.014247 -0.088209 0.119489 0.062609 0.150157 28O 1dyz -0.097770 0.176904 -0.291966 0.266175 0.185548 0.261405 28O 1dx2y2 -0.297597 0.212425 -0.116564 0.093374 0.030139 0.113901 28O 1dxy -0.315283 0.257391 -0.250543 0.254547 -0.023742 0.318997 28O 2dz2 -0.073507 0.041411 0.010621 0.002318 0.147583 -0.020465 28O 2dxz -0.004954 0.018863 0.003720 0.012017 -0.007324 0.068248 28O 2dyz 0.099247 -0.133834 0.244340 -0.220228 -0.183358 -0.207380 28O 2dx2y2 0.199967 -0.151661 0.144069 -0.162478 -0.075488 -0.218743 28O 2dxy 0.187243 -0.167585 0.201472 -0.209274 0.067857 -0.253017 28O 1f0 -0.009620 0.006940 0.008885 -0.025198 -0.079620 -0.012020 28O 1f+1 0.055974 -0.034865 -0.004680 0.027000 0.055852 -0.032967 28O 1f-1 0.014155 0.006432 -0.008196 -0.021383 0.002141 -0.049708 28O 1f+2 -0.049177 0.037051 -0.032967 0.046954 0.006607 0.097653 28O 1f-2 0.055805 -0.047073 0.017337 0.004629 -0.086350 -0.018718 28O 1f+3 0.009432 0.008763 -0.029353 0.040179 0.014462 0.038165 28O 1f-3 0.011998 0.020760 -0.034332 0.041677 -0.039668 0.040162 29O 1s -0.000375 0.001569 -0.004824 -0.000117 -0.000602 -0.000490 29O 2s -0.001235 0.004758 -0.015671 -0.000334 -0.001772 -0.001502 29O 3s 0.016073 -0.055487 0.219410 0.004161 0.021440 0.018979 29O 4s -0.037817 0.092939 -0.496567 -0.009436 -0.056651 -0.049534 29O 5s 0.029347 0.020055 0.030736 0.005141 0.086274 0.062004 29O 1pz -0.000176 -0.005594 -0.005124 0.004683 0.003235 -0.008527 29O 1px 0.004274 0.016217 0.003759 0.001163 0.002854 -0.000827 29O 1py -0.002340 0.003254 -0.033516 -0.000624 -0.005425 -0.003077 29O 2pz -0.004016 0.011386 0.054967 -0.030256 -0.016093 0.043562 29O 2px -0.018457 -0.035066 -0.094636 -0.012084 -0.015588 0.005803 29O 2py 0.013637 -0.021579 0.190677 0.004914 0.023086 0.013079 29O 3pz -0.111598 0.002002 0.012254 -0.030803 0.023084 -0.085012 29O 3px -0.031151 -0.020436 -0.020231 -0.009315 0.028000 -0.023298 29O 3py -0.010923 -0.039591 -0.004456 0.002139 -0.087063 -0.039502 29O 1dz2 0.079913 0.015992 0.026590 -0.016215 -0.010592 0.012021 29O 1dxz -0.161483 0.048106 -0.037250 0.014742 -0.001143 -0.028373 29O 1dyz -0.124414 0.010982 -0.008336 -0.010919 0.019967 -0.019219 29O 1dx2y2 -0.059062 -0.093135 0.141922 0.018065 0.027735 -0.003746 29O 1dxy -0.068136 -0.018672 -0.000949 -0.004028 -0.023212 -0.022250 29O 2dz2 -0.058661 -0.011779 -0.088373 0.021519 0.007543 -0.019264 29O 2dxz 0.117884 -0.040575 -0.016271 -0.021269 -0.005136 0.025749 29O 2dyz 0.106291 -0.008927 -0.003191 0.024178 -0.011661 0.006657 29O 2dx2y2 0.044932 0.082088 -0.105593 -0.016956 -0.023294 0.005076 29O 2dxy 0.059267 0.012365 0.054505 0.010765 0.023479 0.016834 29O 1f0 0.019541 -0.009032 0.103318 -0.002154 0.005458 0.005308 29O 1f+1 -0.021986 0.005305 -0.048061 -0.000971 -0.002986 -0.002946 29O 1f-1 0.006848 -0.006407 0.088179 -0.012855 0.002631 0.006316 29O 1f+2 0.025131 0.005862 -0.058749 0.000575 -0.001967 -0.002151 29O 1f-2 -0.009748 -0.001841 0.049494 0.019637 0.003921 0.002021 29O 1f+3 -0.018317 0.005831 -0.046193 -0.006021 0.000872 0.000391 29O 1f-3 0.007442 0.004656 -0.042201 -0.011076 -0.004766 -0.001943 30O 1s -0.000132 0.001424 0.000208 -0.001085 0.003056 -0.000684 30O 2s 0.000016 0.004691 0.000927 -0.001957 0.011461 -0.002809 30O 3s -0.014649 -0.059007 -0.017726 -0.020649 -0.204045 0.057278 30O 4s 0.070675 0.225311 -0.133008 -0.045742 0.533237 -0.165822 30O 5s 0.273139 -0.369013 1.250940 1.633352 1.073547 -0.362841 30O 1pz 0.009512 -0.004983 0.009398 0.017826 0.011786 -0.040607 30O 1px -0.003920 -0.000324 -0.041977 -0.056655 -0.066602 0.011603 30O 1py -0.002137 0.009158 -0.006919 -0.011782 -0.017997 -0.019031 30O 2pz -0.086170 0.028013 -0.085980 -0.186843 -0.237363 0.224155 30O 2px 0.046215 0.038637 0.199883 0.338013 0.470332 -0.116281 30O 2py 0.077813 -0.057390 0.087528 0.183558 0.289757 -0.000258 30O 3pz 0.033865 -0.014290 0.179727 0.104967 -0.148239 -0.065354 30O 3px 0.240165 -0.250473 0.381499 0.531873 0.476081 -0.179224 30O 3py 0.041373 0.084227 -0.339267 -0.289220 0.015872 -0.091057 30O 1dz2 0.109987 -0.225334 0.194342 0.220197 0.263114 0.076044 30O 1dxz -0.007416 -0.030125 -0.063365 -0.071485 -0.095402 -0.036065 30O 1dyz 0.057151 -0.159850 0.240027 0.225482 0.219677 -0.103242 30O 1dx2y2 -0.217998 0.227905 -0.068461 -0.106899 -0.094427 0.096366 30O 1dxy 0.085444 -0.145279 0.214149 0.264154 0.289238 -0.164046 30O 2dz2 -0.077358 0.156116 -0.181975 -0.213753 -0.269780 -0.101915 30O 2dxz -0.013551 0.032718 0.011250 -0.028150 -0.056171 0.105136 30O 2dyz -0.073743 0.131467 -0.215008 -0.234173 -0.246603 0.122861 30O 2dx2y2 0.130799 -0.146066 0.088269 0.140612 0.157371 -0.111840 30O 2dxy -0.022271 0.081146 -0.133167 -0.131478 -0.085628 0.120410 30O 1f0 0.004392 -0.014964 0.023381 0.012882 0.018848 0.023702 30O 1f+1 -0.007404 0.019880 -0.038779 -0.039953 -0.048903 -0.066195 30O 1f-1 0.014419 -0.015643 -0.003533 -0.009176 -0.027795 -0.088119 30O 1f+2 0.001000 0.002793 -0.022886 -0.053344 -0.077962 0.049027 30O 1f-2 -0.041580 0.059978 -0.025851 -0.026859 -0.087817 0.032212 30O 1f+3 0.045595 -0.014926 -0.028089 -0.036745 0.005382 0.040446 30O 1f-3 -0.011228 -0.007990 -0.007205 -0.019716 -0.047280 -0.001591 31O 1s -0.000121 -0.001429 0.000208 -0.001142 -0.003031 0.000717 31O 2s 0.000057 -0.004711 0.000927 -0.002165 -0.011419 0.002884 31O 3s -0.015190 0.059361 -0.017657 -0.017070 0.204595 -0.057177 31O 4s 0.071819 -0.226629 -0.133290 -0.054765 -0.532527 0.165875 31O 5s 0.274438 0.368380 1.251099 1.613335 -1.113900 0.337208 31O 1pz -0.009598 -0.005027 -0.009207 -0.018454 0.012315 -0.040456 31O 1px 0.004081 -0.000343 0.041947 0.055222 -0.067861 0.010770 31O 1py 0.002243 0.009151 0.007170 0.010932 -0.018233 -0.019186 31O 2pz 0.086408 0.027845 0.085012 0.186101 -0.242309 0.221148 31O 2px -0.046858 0.039105 -0.199464 -0.328861 0.477987 -0.110358 31O 2py -0.078095 -0.057086 -0.088292 -0.176535 0.294042 0.003069 31O 3pz -0.032012 -0.014930 -0.178020 -0.110174 -0.146908 -0.063799 31O 3px -0.240428 -0.249800 -0.381632 -0.523626 0.489492 -0.170586 31O 3py -0.042069 0.085316 0.338824 0.287878 0.009668 -0.094615 31O 1dz2 0.110188 0.225182 0.194970 0.212509 -0.267887 -0.079499 31O 1dxz -0.006454 0.030624 -0.063245 -0.068575 0.096429 0.038173 31O 1dyz 0.056898 0.159859 0.239158 0.222634 -0.224510 0.100152 31O 1dx2y2 -0.216809 -0.227613 -0.067764 -0.106477 0.096897 -0.094785 31O 1dxy 0.085633 0.145179 0.212643 0.261057 -0.295643 0.159762 31O 2dz2 -0.077507 -0.155937 -0.182759 -0.205235 0.274167 0.105570 31O 2dxz -0.014427 -0.032928 0.011450 -0.028960 0.057489 -0.105285 31O 2dyz -0.073753 -0.131368 -0.214284 -0.231052 0.251933 -0.119612 31O 2dx2y2 0.129969 0.145784 0.087411 0.139012 -0.160497 0.109331 31O 2dxy -0.022291 -0.081264 -0.131775 -0.132323 0.089015 -0.118549 31O 1f0 -0.004685 -0.014981 -0.023682 -0.011811 0.019072 0.023728 31O 1f+1 0.007170 0.019818 0.039168 0.037381 -0.049441 -0.067160 31O 1f-1 -0.014606 -0.015719 0.004160 0.006497 -0.027583 -0.088678 31O 1f+2 -0.001004 0.002808 0.022516 0.052582 -0.079185 0.047804 31O 1f-2 0.041854 0.059893 0.025909 0.025491 -0.088526 0.032090 31O 1f+3 -0.045817 -0.014919 0.027552 0.037668 0.004585 0.039622 31O 1f-3 0.011265 -0.008071 0.007304 0.018484 -0.047544 -0.002159 32O 1s -0.000390 -0.001569 -0.004835 -0.000075 0.000554 0.000496 32O 2s -0.001269 -0.004761 -0.015705 -0.000193 0.001613 0.001525 32O 3s 0.016097 0.055552 0.219885 0.002150 -0.019247 -0.019283 32O 4s -0.038596 -0.093054 -0.497758 -0.004376 0.051546 0.050192 32O 5s 0.037737 -0.020517 0.031223 0.002553 -0.084437 -0.062519 32O 1pz -0.000026 -0.005572 0.004354 -0.004895 0.003555 -0.008323 32O 1px -0.004165 0.016192 -0.004068 -0.000968 0.002599 -0.000430 32O 1py 0.002236 0.003317 0.033704 0.000155 -0.005031 -0.003286 32O 2pz 0.005375 0.011488 -0.050252 0.031363 -0.017705 0.042145 32O 2px 0.017037 -0.034900 0.096581 0.010998 -0.014606 0.004663 32O 2py -0.012158 -0.021848 -0.191656 -0.002180 0.021027 0.014071 32O 3pz 0.111127 0.002591 -0.011786 0.029386 0.021991 -0.085567 32O 3px 0.033601 -0.020345 0.020304 0.008311 0.028119 -0.023565 32O 3py 0.014705 -0.039643 0.004617 -0.003521 -0.086065 -0.040468 32O 1dz2 0.086135 -0.016273 0.026462 -0.015249 0.012522 -0.012884 32O 1dxz -0.157578 -0.047687 -0.036963 0.015391 0.001397 0.025979 32O 1dyz -0.126428 -0.009513 -0.004534 -0.011370 -0.018993 0.019888 32O 1dx2y2 -0.058865 0.093214 0.142147 0.019012 -0.028331 0.004585 32O 1dxy -0.069409 0.018846 0.000537 -0.001516 0.022826 0.023290 32O 2dz2 -0.063433 0.011902 -0.088339 0.020612 -0.009712 0.019226 32O 2dxz 0.114818 0.040234 -0.017185 -0.021777 0.004882 -0.023625 32O 2dyz 0.108071 0.007442 -0.008749 0.024896 0.010460 -0.007463 32O 2dx2y2 0.044223 -0.082162 -0.106091 -0.018210 0.024036 -0.005808 32O 2dxy 0.059733 -0.012608 0.052562 0.007934 -0.022671 -0.018112 32O 1f0 -0.018436 -0.008515 -0.097837 0.002243 0.004159 0.004873 32O 1f+1 0.021525 0.005596 0.052132 0.001069 -0.002854 -0.003149 32O 1f-1 -0.008680 -0.006824 -0.091681 0.013480 0.001287 0.006472 32O 1f+2 -0.026286 0.006299 0.063322 -0.000806 -0.001805 -0.002280 32O 1f-2 0.009542 -0.001620 -0.047691 -0.019211 0.003619 0.002953 32O 1f+3 0.018045 0.005722 0.044266 0.005228 0.001113 0.000507 32O 1f-3 -0.006371 0.004547 0.041371 0.010828 -0.004647 -0.002215 33O 1s 0.000042 -0.001291 0.000049 0.001134 0.000813 0.002891 33O 2s 0.000409 -0.004189 0.000664 0.002193 0.003098 0.010984 33O 3s -0.016661 0.051129 -0.020845 0.013896 -0.058008 -0.201496 33O 4s 0.074259 -0.199527 -0.119232 0.057252 0.151918 0.540471 33O 5s 0.193785 0.369558 1.386822 -1.468512 0.367689 1.123336 33O 1pz -0.003026 -0.011222 -0.015682 0.017497 0.015567 -0.027357 33O 1px 0.005141 0.001350 0.046129 -0.050519 0.032837 0.059690 33O 1py 0.005319 -0.005355 0.006859 -0.010789 -0.030423 0.020303 33O 2pz 0.110683 0.066064 0.145565 -0.209161 0.019898 0.374260 33O 2px -0.051358 0.021150 -0.237456 0.318792 -0.204949 -0.482084 33O 2py 0.030119 0.044494 0.002544 0.001146 0.139460 -0.009666 33O 3pz -0.040774 -0.049305 -0.306307 0.207256 0.099670 0.100596 33O 3px -0.313369 -0.236215 -0.360339 0.408607 -0.107599 -0.502115 33O 3py -0.085516 -0.123467 -0.341288 0.287250 -0.138993 -0.088681 33O 1dz2 0.171969 0.087012 -0.010350 0.007442 0.123438 -0.011882 33O 1dxz -0.059879 -0.014028 -0.087575 0.114742 -0.065190 -0.153681 33O 1dyz -0.098162 -0.177320 -0.289834 0.256263 -0.190611 -0.270320 33O 1dx2y2 -0.298608 -0.212901 -0.115592 0.090400 -0.031954 -0.116905 33O 1dxy -0.315792 -0.257831 -0.246332 0.245870 0.018101 -0.326945 33O 2dz2 -0.073498 -0.041622 0.009446 0.000386 -0.147449 0.020456 33O 2dxz -0.004753 -0.019153 0.004863 0.010099 0.007182 -0.068599 33O 2dyz 0.099835 0.134280 0.243035 -0.211973 0.187395 0.215067 33O 2dx2y2 0.200822 0.151967 0.142237 -0.155754 0.078659 0.223914 33O 2dxy 0.187381 0.167725 0.197699 -0.202971 -0.063223 0.259265 33O 1f0 0.009474 0.006851 -0.008963 0.023161 -0.079856 -0.012705 33O 1f+1 -0.055809 -0.035051 0.005403 -0.026869 0.056354 -0.032211 33O 1f-1 -0.014099 0.006487 0.008711 0.020076 0.001261 -0.049969 33O 1f+2 0.049378 0.037175 0.031893 -0.044288 0.007395 0.099214 33O 1f-2 -0.055970 -0.047412 -0.017825 -0.006292 -0.085955 -0.018919 33O 1f+3 -0.009239 0.008744 0.028983 -0.038930 0.015093 0.039596 33O 1f-3 -0.012277 0.020597 0.033396 -0.041039 -0.038694 0.041275 34O 1s 0.000090 0.001518 0.000107 -0.001034 -0.002803 0.000971 34O 2s 0.000165 0.004933 0.000680 -0.001836 -0.010687 0.003581 34O 3s 0.002630 -0.060837 -0.015929 -0.019110 0.194831 -0.061140 34O 4s -0.018077 0.223158 -0.125871 -0.055368 -0.508920 0.147520 34O 5s -0.073500 -0.372329 1.267017 1.596773 -1.133499 0.321620 34O 1pz 0.003682 0.006314 0.016500 0.020454 -0.033388 -0.026793 34O 1px 0.003919 0.004653 -0.040843 -0.056161 0.061243 -0.027117 34O 1py 0.006020 -0.009342 -0.008708 -0.012581 0.007460 -0.028359 34O 2pz -0.030823 -0.047916 -0.050291 -0.066316 0.117018 0.108305 34O 2px -0.046002 -0.002974 0.236824 0.411794 -0.584286 0.201209 34O 2py 0.018670 0.067069 -0.007280 -0.025701 0.088214 0.079084 34O 3pz 0.149294 0.138628 -0.316699 -0.363304 0.172848 -0.169575 34O 3px -0.097707 -0.168249 0.121420 0.245539 -0.451053 0.095534 34O 3py -0.039767 -0.158487 0.424772 0.433238 -0.184072 -0.017307 34O 1dz2 -0.032137 -0.121547 0.102308 0.089916 -0.093323 0.002346 34O 1dxz -0.139325 -0.176877 0.107317 0.120528 -0.168065 -0.112535 34O 1dyz -0.162877 -0.281723 0.356785 0.402552 -0.426618 0.184205 34O 1dx2y2 0.075292 0.059923 0.074194 0.109556 -0.160252 -0.029976 34O 1dxy 0.136598 0.122913 -0.030319 -0.061757 0.065727 -0.098146 34O 2dz2 0.033511 0.097695 -0.117167 -0.141121 0.182994 -0.035131 34O 2dxz 0.083693 0.110775 -0.107117 -0.139040 0.206935 0.127323 34O 2dyz 0.114564 0.196468 -0.290058 -0.326729 0.326836 -0.160972 34O 2dx2y2 -0.055470 -0.054796 -0.002056 0.031881 -0.061894 0.106915 34O 2dxy -0.057115 -0.059824 0.013344 0.034530 -0.007323 0.111038 34O 1f0 -0.017576 -0.021027 0.034962 0.061732 -0.101730 -0.031689 34O 1f+1 0.017037 0.028979 -0.022100 -0.019944 0.049631 -0.013928 34O 1f-1 -0.001907 -0.024153 0.010004 0.001705 -0.027854 -0.032667 34O 1f+2 -0.019162 -0.020710 -0.017558 -0.028369 0.019085 0.064502 34O 1f-2 -0.001586 0.030543 -0.024577 -0.007197 -0.022279 -0.045584 34O 1f+3 0.007677 0.014939 -0.023960 -0.056649 0.082153 -0.095257 34O 1f-3 -0.043971 -0.034690 -0.005258 -0.034793 -0.013070 -0.041538 35O 1s 0.000365 0.001608 0.000126 0.001205 0.000934 0.002890 35O 2s 0.000305 0.005251 0.000814 0.002402 0.003565 0.011057 35O 3s 0.021176 -0.065918 -0.018821 0.012378 -0.064741 -0.198855 35O 4s -0.113674 0.239004 -0.141686 0.045153 0.174759 0.507514 35O 5s -0.424158 -0.369194 1.392792 -1.477989 0.342247 1.141285 35O 1pz 0.005957 0.008336 0.019703 -0.019585 0.026708 0.019528 35O 1px 0.013034 0.001908 -0.046194 0.050891 -0.007595 -0.069934 35O 1py 0.005113 0.006672 -0.005461 0.009563 -0.037099 0.000572 35O 2pz -0.095265 -0.067822 -0.041354 0.024150 -0.078405 0.001121 35O 2px -0.154439 0.016171 0.260231 -0.369169 0.130668 0.586710 35O 2py -0.105943 -0.038124 0.074979 -0.133282 0.199902 0.164684 35O 3pz 0.227695 0.198599 -0.514581 0.462737 -0.015308 -0.268143 35O 3px -0.329037 -0.181229 0.192280 -0.297728 0.188976 0.444916 35O 3py -0.029134 0.055601 -0.239925 0.174425 -0.097037 0.043000 35O 1dz2 0.066731 0.073143 -0.204169 0.190372 -0.020035 -0.270504 35O 1dxz -0.368034 -0.258855 0.187929 -0.212745 0.168384 0.215763 35O 1dyz 0.111335 0.181256 -0.335585 0.279214 -0.102779 -0.361479 35O 1dx2y2 0.256419 0.199773 -0.081999 0.077391 0.094931 -0.102071 35O 1dxy -0.020676 0.039535 -0.037285 0.003747 -0.091160 0.040541 35O 2dz2 -0.016830 -0.043134 0.122812 -0.089167 -0.030277 0.097250 35O 2dxz 0.195935 0.159428 -0.172578 0.186498 -0.170631 -0.186704 35O 2dyz -0.104699 -0.135417 0.266060 -0.224300 0.075340 0.276886 35O 2dx2y2 -0.190998 -0.141451 0.129289 -0.153155 -0.073209 0.260109 35O 2dxy -0.052879 -0.047345 0.072962 -0.076576 0.157756 0.079046 35O 1f0 0.035369 0.015494 0.025214 -0.033472 0.019534 0.023622 35O 1f+1 0.018341 -0.004226 -0.011949 0.017661 -0.038531 -0.049175 35O 1f-1 0.060439 0.036375 -0.023287 0.032396 -0.061812 -0.076692 35O 1f+2 -0.047119 0.003308 -0.041806 0.036519 -0.064555 -0.000469 35O 1f-2 -0.040222 -0.034406 -0.002319 0.025588 -0.026724 -0.026164 35O 1f+3 -0.010860 0.012148 -0.043583 0.048147 0.078011 -0.111206 35O 1f-3 0.056090 0.035773 -0.029783 0.019311 -0.040988 -0.058040 708 709 710 711 712 713 6.77734 6.78233 6.78255 6.78519 6.78974 6.79098 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s -0.002274 -0.000206 -0.000492 -0.000092 -0.000413 -0.000027 0Rh 2s 0.021562 0.001741 0.004324 0.001187 0.003940 0.000517 0Rh 3s -0.001208 -0.000233 -0.000462 0.000136 -0.000206 0.000137 0Rh 4s -0.138440 -0.011324 -0.027973 -0.007431 -0.025307 -0.003223 0Rh 5s 0.409699 0.033612 0.082578 0.022111 0.075076 0.010463 0Rh 6s -0.573251 -0.047369 -0.114037 -0.031675 -0.105814 -0.019880 0Rh 7s 1.207506 0.111103 0.225521 0.066777 0.222447 0.087522 0Rh 8s 0.086819 -0.005989 0.045681 -0.040111 0.040904 -0.039268 0Rh 1pz 0.004225 0.002008 0.010546 0.025337 -0.001305 -0.009233 0Rh 1px -0.011413 0.000390 0.004834 0.005024 -0.000084 -0.009939 0Rh 1py 0.004712 -0.002915 -0.021810 0.009344 -0.012427 0.025301 0Rh 2pz -0.017939 -0.008542 -0.044840 -0.107725 0.005585 0.039228 0Rh 2px 0.048403 -0.001662 -0.020566 -0.021404 0.000356 0.042211 0Rh 2py -0.020016 0.012413 0.092740 -0.039718 0.052846 -0.107476 0Rh 3pz 0.063483 0.030679 0.160511 0.385613 -0.020724 -0.139159 0Rh 3px -0.170243 0.006031 0.073971 0.077620 -0.001090 -0.149582 0Rh 3py 0.071414 -0.044961 -0.332184 0.141960 -0.189342 0.381077 0Rh 4pz -0.093429 -0.047165 -0.244785 -0.588607 0.033929 0.204357 0Rh 4px 0.247341 -0.009630 -0.114455 -0.122134 0.000379 0.220355 0Rh 4py -0.109194 0.071015 0.507483 -0.216073 0.289695 -0.560369 0Rh 5pz 0.065583 0.037166 0.188966 0.453226 -0.031475 -0.128850 0Rh 5px -0.165604 0.008690 0.090399 0.101635 0.001720 -0.144729 0Rh 5py 0.086784 -0.061546 -0.390803 0.165195 -0.225075 0.360609 0Rh 6pz -0.105309 -0.003696 -0.089826 -0.069645 0.059273 -0.081509 0Rh 6px 0.192164 0.009085 0.048592 -0.009147 0.071799 -0.036855 0Rh 6py -0.020415 0.035831 0.066293 -0.011195 0.029314 0.128334 0Rh 1dz2 0.003482 -0.000058 0.003745 0.004569 -0.001860 0.005478 0Rh 1dxz 0.004262 -0.000284 -0.000629 -0.008810 0.000367 0.001301 0Rh 1dyz 0.002209 0.000313 0.001026 -0.002094 -0.010089 -0.002798 0Rh 1dx2y2 -0.004876 -0.001379 -0.004515 -0.001924 -0.004482 0.002868 0Rh 1dxy -0.003611 0.002041 0.008282 -0.003939 0.000602 0.002432 0Rh 2dz2 -0.003610 -0.000500 -0.003505 -0.002306 0.003657 -0.001685 0Rh 2dxz -0.004106 0.000001 0.000278 0.004678 -0.000884 -0.000515 0Rh 2dyz -0.002273 -0.000767 -0.003631 0.002255 0.012276 0.000398 0Rh 2dx2y2 0.005326 0.000707 0.002434 0.001606 0.004117 -0.000598 0Rh 2dxy 0.002808 -0.001271 -0.005745 0.002763 0.002532 -0.000472 0Rh 3dz2 -0.001333 0.003030 -0.003576 -0.015021 -0.008497 -0.023748 0Rh 3dxz -0.003304 0.001701 0.002306 0.027803 0.002582 -0.004966 0Rh 3dyz -0.000990 0.002279 0.013435 0.000450 -0.005514 0.014633 0Rh 3dx2y2 0.000290 0.004455 0.013959 0.002886 0.004722 -0.013758 0Rh 3dxy 0.006471 -0.005438 -0.018858 0.008783 -0.017304 -0.012184 0Rh 4dz2 -0.016539 -0.011624 -0.007766 0.034061 0.044977 0.061410 0Rh 4dxz -0.013797 -0.005124 -0.005856 -0.061726 -0.013006 0.011277 0Rh 4dyz -0.009260 -0.011373 -0.060818 0.010258 0.081605 -0.041447 0Rh 4dx2y2 0.030862 -0.009594 -0.029761 -0.000045 0.007398 0.035512 0Rh 4dxy -0.003909 0.010252 0.028293 -0.012342 0.066897 0.035149 0Rh 5dz2 0.144922 0.040281 0.105716 -0.043643 -0.200933 -0.093563 0Rh 5dxz 0.154101 0.012983 0.010604 0.076034 0.063933 -0.005575 0Rh 5dyz 0.079492 0.050626 0.256417 -0.078617 -0.496478 0.085070 0Rh 5dx2y2 -0.245293 0.004467 0.025014 -0.041164 -0.115349 -0.053467 0Rh 5dxy -0.066934 -0.002022 0.045127 -0.031136 -0.242895 -0.076509 0Rh 1f0 0.007399 -0.000522 -0.004889 0.000436 -0.009327 0.021666 0Rh 1f+1 -0.005552 -0.000309 -0.003299 0.008189 0.005593 -0.000811 0Rh 1f-1 0.002996 0.001061 -0.000924 0.015213 -0.016336 0.008088 0Rh 1f+2 -0.006292 -0.001035 -0.008659 -0.016764 -0.006984 0.016501 0Rh 1f-2 -0.002309 -0.003592 -0.021663 0.005850 0.012283 0.018153 0Rh 1f+3 -0.009468 0.001252 0.010389 0.004137 -0.000442 -0.008981 0Rh 1f-3 -0.003250 -0.000741 -0.002670 -0.000440 -0.015773 0.005631 1Rh 1s 0.002272 0.000021 0.000539 0.000089 0.000409 -0.000037 1Rh 2s -0.021540 -0.000237 -0.004727 -0.001169 -0.003904 0.000611 1Rh 3s 0.001210 -0.000010 0.000514 -0.000142 0.000202 0.000131 1Rh 4s 0.138300 0.001486 0.030599 0.007311 0.025073 -0.003831 1Rh 5s -0.409263 -0.004224 -0.090462 -0.021770 -0.074358 0.012270 1Rh 6s 0.572525 0.004984 0.125612 0.031282 0.104696 -0.022441 1Rh 7s -1.205453 0.005515 -0.258330 -0.065748 -0.217290 0.092692 1Rh 8s -0.086964 -0.026251 -0.036293 0.039073 -0.044350 -0.036692 1Rh 1pz 0.004107 0.001731 0.010804 0.025340 -0.000689 0.009471 1Rh 1px -0.011485 0.001490 0.004623 0.004948 0.000305 0.009907 1Rh 1py 0.004952 -0.006962 -0.020963 0.009492 -0.013265 -0.024546 1Rh 2pz -0.017436 -0.007357 -0.045938 -0.107738 0.002967 -0.040242 1Rh 2px 0.048708 -0.006336 -0.019670 -0.021080 -0.001300 -0.042075 1Rh 2py -0.021037 0.029586 0.089146 -0.040347 0.056403 0.104266 1Rh 3pz 0.061691 0.026241 0.164458 0.385658 -0.011444 0.142802 1Rh 3px -0.171313 0.022726 0.070754 0.076482 0.004795 0.149113 1Rh 3py 0.075029 -0.105508 -0.319510 0.144194 -0.201940 -0.369580 1Rh 4pz -0.090758 -0.039654 -0.250821 -0.588679 0.020312 -0.209963 1Rh 4px 0.248884 -0.034844 -0.109507 -0.120484 -0.008356 -0.219692 1Rh 4py -0.114495 0.159022 0.489057 -0.219375 0.308215 0.542809 1Rh 5pz 0.063718 0.030006 0.193447 0.453315 -0.022905 0.133312 1Rh 5px -0.166568 0.026390 0.086675 0.100585 0.007704 0.144352 1Rh 5py 0.090175 -0.116047 -0.379363 0.167351 -0.237164 -0.347088 1Rh 6pz -0.103292 -0.033821 -0.083219 -0.069630 0.065298 0.079190 1Rh 6px 0.192437 0.012977 0.049245 -0.009072 0.070764 0.034793 1Rh 6py -0.019211 -0.005996 0.073927 -0.010056 0.030212 -0.129855 1Rh 1dz2 -0.003503 -0.001503 -0.003489 -0.004632 0.002249 0.005300 1Rh 1dxz -0.004278 -0.000315 0.000729 0.008777 -0.000243 0.001354 1Rh 1dyz -0.002210 -0.000277 -0.001059 0.002134 0.009819 -0.003390 1Rh 1dx2y2 0.004887 0.000572 0.004642 0.001872 0.004637 0.002634 1Rh 1dxy 0.003582 -0.001834 -0.008391 0.003940 -0.000453 0.002438 1Rh 2dz2 0.003608 0.000977 0.003445 0.002328 -0.003751 -0.001409 1Rh 2dxz 0.004110 0.000051 -0.000276 -0.004664 0.000846 -0.000568 1Rh 2dyz 0.002267 0.000986 0.003620 -0.002264 -0.012169 0.001161 1Rh 2dx2y2 -0.005327 -0.000321 -0.002514 -0.001592 -0.004137 -0.000394 1Rh 2dxy -0.002801 0.001408 0.005749 -0.002768 -0.002569 -0.000301 1Rh 3dz2 0.001467 0.003739 0.002368 0.015282 0.006676 -0.024163 1Rh 3dxz 0.003373 0.001608 -0.002913 -0.027684 -0.003111 -0.004998 1Rh 3dyz 0.001030 -0.003641 -0.013190 -0.000644 0.006554 0.014081 1Rh 3dx2y2 -0.000344 -0.001704 -0.014286 -0.002652 -0.005535 -0.013454 1Rh 3dxy -0.006334 0.003432 0.019498 -0.008764 0.016602 -0.013144 1Rh 4dz2 0.016136 -0.005915 0.011060 -0.034715 -0.040091 0.064147 1Rh 4dxz 0.013619 -0.004500 0.007698 0.061436 0.014306 0.011090 1Rh 4dyz 0.009098 0.016257 0.060143 -0.009732 -0.084116 -0.035708 1Rh 4dx2y2 -0.030704 0.003756 0.030234 -0.000556 -0.005213 0.035650 1Rh 4dxy 0.003510 -0.003162 -0.030272 0.012265 -0.064915 0.039009 1Rh 5dz2 -0.143847 -0.010866 -0.112365 0.044519 0.192108 -0.107374 1Rh 5dxz -0.153641 0.010116 -0.015580 -0.075620 -0.065425 -0.003653 1Rh 5dyz -0.078618 -0.068103 -0.254840 0.077599 0.499099 0.052061 1Rh 5dx2y2 0.244791 -0.007809 -0.022345 0.042006 0.111825 -0.058343 1Rh 5dxy 0.067918 -0.022554 -0.039375 0.031305 0.238296 -0.090910 1Rh 1f0 0.007584 -0.001594 -0.004655 0.000555 -0.010226 -0.020995 1Rh 1f+1 -0.005495 -0.001496 -0.003088 0.008183 0.005741 0.000479 1Rh 1f-1 0.003048 -0.001911 -0.000152 0.015309 -0.016213 -0.006995 1Rh 1f+2 -0.006141 -0.002093 -0.008576 -0.016702 -0.007651 -0.016222 1Rh 1f-2 -0.002099 -0.006271 -0.021136 0.005960 0.011575 -0.019023 1Rh 1f+3 -0.009580 0.003147 0.010097 0.004138 -0.000106 0.009008 1Rh 1f-3 -0.003239 -0.000442 -0.002730 -0.000382 -0.015906 -0.004672 2C 1s -0.000315 0.000752 -0.001080 -0.002340 0.000602 -0.000378 2C 2s -0.000104 0.000563 -0.001148 -0.001307 0.000522 -0.000309 2C 3s -0.025604 0.009486 0.013601 -0.120934 0.035748 -0.000323 2C 4s 0.136744 -0.067913 -0.088785 0.787404 -0.211184 -0.009495 2C 5s -0.102003 -0.000029 0.296187 -0.884771 0.216163 0.060945 2C 1pz -0.001715 0.000779 -0.001958 -0.006770 -0.000010 -0.001635 2C 1px 0.012144 0.001536 0.001330 -0.003775 -0.001750 -0.003790 2C 1py 0.000959 -0.001237 0.009377 -0.000577 0.003075 0.005910 2C 2pz 0.098227 -0.008603 -0.095390 0.419568 -0.098634 -0.047354 2C 2px -0.135899 -0.009223 -0.060235 0.114986 -0.018152 0.037343 2C 2py 0.014783 -0.011448 -0.098773 0.258695 -0.075725 -0.036150 2C 3pz 0.002111 0.012239 0.042981 -0.134071 0.030443 -0.011766 2C 3px -0.028865 0.009083 0.012205 -0.075828 0.023443 -0.002402 2C 3py -0.011148 -0.015884 0.033642 -0.082701 0.024982 0.054500 2C 1dz2 0.038568 0.004154 0.007677 0.010687 -0.028062 -0.006806 2C 1dxz -0.057976 -0.003530 -0.040502 0.009760 0.032556 -0.004718 2C 1dyz 0.011657 0.000425 0.003221 0.020440 -0.010628 -0.001911 2C 1dx2y2 0.004380 0.002376 -0.002146 -0.011334 -0.003276 -0.006843 2C 1dxy -0.045165 -0.006730 -0.020633 0.006078 0.028265 0.012019 2C 2dz2 0.101140 0.020257 0.004993 0.096792 -0.058131 -0.011093 2C 2dxz -0.171802 -0.004483 -0.096915 0.004653 0.090307 0.013328 2C 2dyz 0.036806 -0.007605 -0.040507 0.165707 -0.061740 -0.008230 2C 2dx2y2 0.006076 0.010533 0.030636 -0.027000 -0.019369 0.040476 2C 2dxy -0.121515 -0.011898 -0.058148 0.033095 0.054451 -0.025659 2C 1f0 0.088996 0.011839 0.040786 0.007681 -0.054929 -0.000517 2C 1f+1 -0.065147 -0.002983 -0.045496 0.022058 0.033088 -0.003505 2C 1f-1 0.031894 -0.000458 0.011548 0.025066 -0.020924 -0.003323 2C 1f+2 -0.045242 0.002338 -0.020920 -0.026764 0.029458 -0.001907 2C 1f-2 -0.106925 -0.019073 -0.039162 0.017745 0.064503 0.018798 2C 1f+3 -0.046276 0.006623 -0.042097 -0.002920 0.021577 -0.003612 2C 1f-3 0.025673 -0.005939 0.024699 0.015900 -0.019237 0.008304 3C 1s 0.000137 0.000716 -0.002343 0.000812 -0.001659 0.000858 3C 2s 0.000138 0.000709 -0.001339 0.000930 -0.001224 0.000647 3C 3s 0.008059 -0.014050 -0.109993 -0.037072 -0.057834 0.011225 3C 4s -0.082402 0.083652 0.710275 0.224858 0.367010 -0.068022 3C 5s 0.131856 -0.317907 -0.766703 -0.424927 -0.283644 -0.136715 3C 1pz -0.002492 -0.000674 0.001091 -0.009006 0.000811 -0.008722 3C 1px 0.011653 -0.000576 -0.002388 -0.001639 0.005620 0.002589 3C 1py -0.000198 0.000457 0.007033 -0.000789 0.003560 -0.006011 3C 2pz 0.010390 0.033121 0.186052 0.123170 0.086956 0.072374 3C 2px -0.166105 0.030666 0.144440 0.067434 -0.005394 -0.079796 3C 2py 0.043492 -0.092796 -0.379386 -0.177472 -0.161459 0.007387 3C 3pz 0.017428 -0.032767 -0.037092 -0.026628 -0.004539 -0.049616 3C 3px -0.007209 -0.022817 -0.063942 -0.039160 -0.042184 -0.018949 3C 3py -0.031311 0.045858 0.132383 0.064638 0.042364 0.006351 3C 1dz2 0.017552 -0.000487 -0.005053 -0.002039 0.020525 0.009098 3C 1dxz -0.032003 0.000660 0.017322 -0.010439 -0.033046 -0.026229 3C 1dyz -0.024750 -0.002728 -0.009761 -0.009107 -0.038944 -0.014535 3C 1dx2y2 -0.025062 -0.005448 -0.005424 -0.021776 -0.035577 -0.028857 3C 1dxy 0.046449 -0.003118 -0.020939 0.004046 0.047720 0.031475 3C 2dz2 0.054324 -0.018831 -0.032056 0.007108 0.035071 0.042464 3C 2dxz -0.092912 0.001054 0.050350 -0.004694 -0.099211 -0.058814 3C 2dyz -0.044740 -0.030571 -0.134774 -0.090350 -0.131621 -0.043790 3C 2dx2y2 -0.061146 -0.032794 -0.050132 -0.062735 -0.086855 -0.061145 3C 2dxy 0.147487 -0.018299 -0.071199 -0.013023 0.107143 0.069697 3C 1f0 0.009667 -0.008238 -0.002290 -0.011634 0.008060 -0.004264 3C 1f+1 0.018308 -0.007883 0.008918 -0.005117 0.034433 -0.001063 3C 1f-1 -0.036113 -0.003045 0.006487 -0.018782 -0.037918 -0.027283 3C 1f+2 -0.063263 0.009576 -0.012360 -0.001553 -0.083114 -0.024752 3C 1f-2 0.046111 0.001797 -0.036487 0.011012 0.036063 0.035567 3C 1f+3 -0.072653 0.003265 0.036658 -0.010852 -0.066333 -0.049058 3C 1f-3 -0.083588 -0.011737 0.006025 -0.040406 -0.105513 -0.066904 4C 1s 0.001782 -0.000164 0.000320 0.004324 -0.002341 -0.000339 4C 2s 0.002809 -0.000303 0.001089 0.004092 -0.002663 -0.000577 4C 3s 0.043201 -0.018882 -0.049128 0.388712 -0.131797 -0.013782 4C 4s -0.291512 0.094777 0.244598 -2.039872 0.721667 0.101851 4C 5s -0.012790 0.023429 -0.138184 0.119764 0.036138 0.019870 4C 1pz -0.012542 0.007203 0.009419 -0.031322 -0.019429 0.001680 4C 1px 0.013836 -0.008016 -0.033339 0.007111 0.088438 -0.005067 4C 1py -0.004589 -0.003429 0.000434 -0.014433 0.024373 0.006867 4C 2pz 0.182728 0.197289 -0.293233 -0.113808 -0.155628 -0.193966 4C 2px -0.303045 0.080077 -0.458127 0.003564 0.272779 -0.087841 4C 2py -0.200275 -0.308767 0.432794 0.090979 0.278344 0.277552 4C 3pz -0.026551 0.035966 0.132976 -0.631309 0.142144 0.109116 4C 3px -0.058680 -0.008341 -0.124583 -0.051057 0.174276 0.019417 4C 3py -0.050732 0.017791 0.100900 -0.391349 0.165125 -0.014043 4C 1dz2 -0.026686 0.040427 -0.095484 -0.003047 -0.019191 -0.027173 4C 1dxz 0.105594 0.024384 -0.003631 0.024080 -0.056432 -0.062672 4C 1dyz -0.014013 -0.024604 0.045175 -0.008019 0.019581 0.003688 4C 1dx2y2 0.009522 0.033899 -0.052357 -0.064526 0.001191 -0.060739 4C 1dxy 0.054513 0.009025 0.020568 -0.027434 -0.008500 0.039932 4C 2dz2 0.179395 0.152670 -0.113187 -0.201758 -0.075196 -0.032477 4C 2dxz -0.216637 0.054774 -0.161440 -0.045258 0.006721 -0.078646 4C 2dyz -0.064042 -0.055311 0.177940 -0.336205 0.133266 0.007462 4C 2dx2y2 -0.001637 0.093252 -0.179034 -0.078797 0.013580 -0.134561 4C 2dxy -0.216855 0.009317 -0.064691 -0.151450 0.097278 0.149442 4C 1f0 -0.213280 -0.014941 -0.140716 0.049316 0.132572 0.069761 4C 1f+1 0.207456 -0.041904 0.211174 0.092750 -0.147276 0.005052 4C 1f-1 -0.068544 0.005308 -0.074530 0.010968 0.045693 -0.039471 4C 1f+2 0.144013 0.072293 -0.026265 -0.095347 -0.090466 -0.084725 4C 1f-2 0.318690 0.132813 -0.015898 -0.050214 -0.258146 -0.092695 4C 1f+3 0.145655 -0.085716 0.287711 0.020903 -0.061172 0.160448 4C 1f-3 0.066047 0.097977 -0.170482 0.035145 -0.084842 -0.101258 5C 1s -0.000685 0.000519 0.004285 0.000593 0.001637 -0.000293 5C 2s -0.000875 0.000056 0.004058 -0.000298 0.002215 -0.000454 5C 3s -0.051572 0.062889 0.358698 0.122944 0.147764 -0.010617 5C 4s 0.298189 -0.327299 -1.886944 -0.617388 -0.777338 0.052138 5C 5s -0.010321 0.108783 0.063634 0.123227 0.053463 0.081335 5C 1pz -0.005882 -0.006172 -0.024802 -0.003569 0.016276 -0.015246 5C 1px 0.030758 0.006165 0.031812 -0.020329 -0.078737 0.027787 5C 1py 0.001746 0.002046 0.032634 0.001446 0.000640 0.001516 5C 2pz 0.111464 -0.301261 0.091757 -0.437205 0.239494 -0.257891 5C 2px -0.261710 -0.045545 0.102871 -0.144907 -0.426785 -0.277418 5C 2py -0.045693 -0.206992 0.166826 -0.396583 0.009723 -0.282067 5C 3pz 0.071631 -0.124771 -0.354568 -0.181545 -0.046896 0.002783 5C 3px 0.010481 -0.034590 -0.129743 -0.092692 -0.240921 0.016538 5C 3py -0.125437 0.141893 0.559411 0.190346 0.180734 0.096090 5C 1dz2 -0.027300 -0.040235 0.059015 -0.071891 0.009432 -0.085397 5C 1dxz 0.032535 -0.010854 0.038489 -0.019880 0.046636 0.008607 5C 1dyz 0.027669 0.028420 0.009985 0.054410 0.028987 0.059890 5C 1dx2y2 0.052448 -0.032283 -0.030639 -0.051501 0.030785 0.000080 5C 1dxy -0.072343 -0.003669 -0.000771 -0.021022 -0.060271 -0.060465 5C 2dz2 0.068241 -0.118448 0.217710 -0.139881 0.158550 -0.056327 5C 2dxz -0.097744 -0.063281 0.016123 -0.112737 -0.059876 -0.116668 5C 2dyz -0.163640 0.128866 0.276342 0.205597 0.042440 -0.038522 5C 2dx2y2 -0.152993 -0.091608 0.102148 -0.111167 -0.034008 -0.186936 5C 2dxy 0.193108 0.029200 0.146643 0.073979 0.220519 0.179395 5C 1f0 -0.071055 0.045192 0.017003 0.066456 -0.073582 0.011254 5C 1f+1 0.001276 0.108318 -0.004192 0.180655 0.002748 0.157867 5C 1f-1 0.094445 0.085086 -0.077110 0.167344 0.099863 0.161629 5C 1f+2 0.212661 -0.101162 -0.006977 -0.113059 0.290167 0.011324 5C 1f-2 -0.098442 0.017208 -0.032681 -0.006772 -0.176821 -0.041615 5C 1f+3 0.195367 0.010711 0.007087 0.082636 0.276316 0.134094 5C 1f-3 0.212053 0.060252 -0.178020 0.169207 0.208936 0.254107 6C 1s 0.000646 -0.001305 -0.004087 -0.000599 -0.001642 -0.000194 6C 2s 0.000788 -0.001641 -0.003640 0.000284 -0.002209 -0.000319 6C 3s 0.051957 -0.090518 -0.353466 -0.123319 -0.149741 -0.002974 6C 4s -0.296543 0.479886 1.855260 0.617995 0.784729 0.012563 6C 5s 0.009272 0.073397 -0.106103 -0.118099 -0.048465 0.081772 6C 1pz -0.006043 -0.004852 -0.025100 -0.003562 0.017121 0.013918 6C 1px 0.030710 0.008948 0.031096 -0.020320 -0.079946 -0.022403 6C 1py 0.001923 0.011914 0.030273 0.001543 0.000755 -0.001298 6C 2pz 0.110325 0.327060 -0.053152 -0.426716 0.262896 0.240250 6C 2px -0.263715 0.092103 0.073626 -0.144162 -0.414353 0.302225 6C 2py -0.046230 0.271282 0.055670 -0.388422 0.027958 0.277312 6C 3pz 0.070681 -0.031543 -0.373481 -0.177562 -0.045976 -0.002676 6C 3px 0.010289 -0.020432 -0.130724 -0.091089 -0.241857 -0.002216 6C 3py -0.123350 0.102401 0.566627 0.187352 0.171916 -0.103013 6C 1dz2 0.027749 -0.063981 -0.034854 0.070600 -0.014550 -0.084173 6C 1dxz -0.033064 -0.026662 -0.029779 0.018923 -0.047866 0.011544 6C 1dyz -0.028101 0.023607 -0.022000 -0.053798 -0.025419 0.060963 6C 1dx2y2 -0.052368 -0.018098 0.042556 0.050472 -0.032078 0.002096 6C 1dxy 0.072904 -0.004006 0.002067 0.021047 0.056974 -0.063375 6C 2dz2 -0.068358 -0.203708 -0.143492 0.134289 -0.163965 -0.046455 6C 2dxz 0.097734 -0.068091 0.013398 0.109963 0.052110 -0.117590 6C 2dyz 0.164101 0.006698 -0.308096 -0.202341 -0.042872 -0.037561 6C 2dx2y2 0.154606 -0.130611 -0.052502 0.107998 0.023115 -0.188131 6C 2dxy -0.194687 -0.032534 -0.145980 -0.075464 -0.216254 0.190297 6C 1f0 -0.071334 -0.035771 0.035952 0.064577 -0.077016 -0.006154 6C 1f+1 0.001979 -0.106387 0.045826 0.177778 -0.007693 -0.156501 6C 1f-1 0.095640 -0.116104 -0.031141 0.164651 0.090609 -0.166145 6C 1f+2 0.213639 0.091462 -0.052645 -0.108850 0.294542 -0.029432 6C 1f-2 -0.099134 -0.028636 -0.022006 -0.008125 -0.176759 0.052032 6C 1f+3 0.196567 -0.010810 0.010981 0.083094 0.270237 -0.149526 6C 1f-3 0.213763 -0.136792 -0.133287 0.167124 0.194431 -0.264682 7C 1s -0.001789 -0.000123 -0.000261 -0.004317 0.002373 -0.000526 7C 2s -0.002801 -0.000560 -0.000931 -0.004085 0.002713 -0.000830 7C 3s -0.044681 0.018065 0.051877 -0.388427 0.132659 -0.022127 7C 4s 0.297359 -0.092835 -0.255080 2.037998 -0.726008 0.149926 7C 5s 0.013652 0.080787 0.109681 -0.119064 -0.037229 0.021387 7C 1pz -0.012418 -0.001083 0.011299 -0.031365 -0.019143 -0.000530 7C 1px 0.013571 -0.007635 -0.033668 0.006988 0.088198 -0.000532 7C 1py -0.004649 0.003843 -0.001123 -0.014366 0.023905 -0.008407 7C 2pz 0.181439 -0.299963 -0.184949 -0.125118 -0.142132 0.199602 7C 2px -0.303662 -0.269080 -0.381355 -0.003283 0.282777 0.066624 7C 2py -0.200044 0.459253 0.263742 0.109483 0.261303 -0.291827 7C 3pz -0.026902 0.044873 0.131515 -0.632451 0.131281 -0.119406 7C 3px -0.058598 -0.044314 -0.117036 -0.050401 0.172580 -0.031637 7C 3py -0.050989 0.039009 0.095343 -0.392906 0.164480 0.002395 7C 1dz2 0.026393 0.077459 0.069969 0.005420 0.016501 -0.027398 7C 1dxz -0.105143 0.024315 -0.006738 -0.022584 0.054243 -0.066538 7C 1dyz 0.014188 -0.041447 -0.030547 0.006827 -0.018606 0.004387 7C 1dx2y2 -0.009074 0.050591 0.033677 0.066430 -0.004867 -0.060071 7C 1dxy -0.054853 -0.001512 -0.021727 0.027420 0.010029 0.039031 7C 2dz2 -0.178811 0.178937 0.040355 0.207419 0.072825 -0.036580 7C 2dxz 0.216038 0.116114 0.121630 0.048365 -0.011627 -0.076339 7C 2dyz 0.064495 -0.137835 -0.137553 0.333198 -0.131773 0.014599 7C 2dx2y2 0.001866 0.158176 0.122883 0.083674 -0.019790 -0.131909 7C 2dxy 0.217494 0.031328 0.056120 0.150996 -0.095115 0.157084 7C 1f0 -0.212034 -0.048488 -0.132570 0.049225 0.130508 -0.079891 7C 1f+1 0.206953 0.125780 0.174460 0.095745 -0.150788 0.006829 7C 1f-1 -0.068833 -0.037616 -0.065393 0.009882 0.047800 0.035732 7C 1f+2 0.143153 -0.073216 0.005340 -0.099155 -0.086212 0.090426 7C 1f-2 0.318775 -0.124302 0.039748 -0.056266 -0.252836 0.109595 7C 1f+3 0.146765 0.199712 0.224825 0.027239 -0.072013 -0.153411 7C 1f-3 0.066203 -0.162289 -0.113716 0.029412 -0.077967 0.104752 8C 1s -0.000136 0.001640 0.001793 -0.000740 0.001731 0.000734 8C 2s -0.000138 0.001215 0.000887 -0.000868 0.001276 0.000552 8C 3s -0.007999 0.032435 0.106160 0.037521 0.059500 0.007945 8C 4s 0.082355 -0.216164 -0.681960 -0.227939 -0.376461 -0.047897 8C 5s -0.128721 0.025261 0.831884 0.414209 0.273081 -0.147491 8C 1pz -0.002491 0.001387 0.000431 -0.009021 0.001385 0.008535 8C 1px 0.011700 -0.000480 -0.002533 -0.001644 0.005498 -0.002896 8C 1py -0.000271 0.002623 0.006499 -0.000835 0.003980 0.005852 8C 2pz 0.010528 0.044677 0.185398 0.123348 0.083913 -0.075268 8C 2px -0.166926 0.031750 0.146290 0.067003 -0.000900 0.080251 8C 2py 0.043776 -0.071155 -0.385073 -0.175594 -0.163805 -0.000846 8C 3pz 0.016971 0.014547 -0.048119 -0.025529 -0.000518 0.049294 8C 3px -0.007357 -0.005245 -0.068699 -0.038799 -0.040690 0.020593 8C 3py -0.030730 0.012701 0.138555 0.062965 0.041587 -0.007908 8C 1dz2 -0.017543 0.001711 0.004887 0.002032 -0.020015 0.010213 8C 1dxz 0.032164 -0.007325 -0.015932 0.010566 0.031615 -0.028111 8C 1dyz 0.025026 0.001214 0.009965 0.009225 0.038773 -0.016821 8C 1dx2y2 0.025211 -0.003489 0.007493 0.021723 0.034160 -0.030586 8C 1dxy -0.046854 0.006395 0.020491 -0.004246 -0.046656 0.034230 8C 2dz2 -0.054426 -0.002936 0.036883 -0.007827 -0.032547 0.044111 8C 2dxz 0.093521 -0.021015 -0.045881 0.005415 0.097404 -0.065008 8C 2dyz 0.045296 0.026192 0.135906 0.090219 0.130779 -0.050333 8C 2dx2y2 0.061221 -0.010364 0.060935 0.061757 0.084156 -0.064680 8C 2dxy -0.148463 0.013891 0.072997 0.012034 -0.104757 0.076046 8C 1f0 0.009975 0.006751 -0.005972 -0.011195 0.008881 0.003465 8C 1f+1 0.018405 0.010740 0.004431 -0.004460 0.034902 -0.001255 8C 1f-1 -0.036488 0.006243 0.004524 -0.018663 -0.036808 0.029242 8C 1f+2 -0.063640 -0.013322 -0.006774 -0.002507 -0.082771 0.029744 8C 1f-2 0.046350 -0.017630 -0.032279 0.010823 0.034081 -0.037456 8C 1f+3 -0.072869 0.013160 0.034563 -0.010882 -0.063961 0.052512 8C 1f-3 -0.084337 0.014925 0.000164 -0.040344 -0.102900 0.072670 9C 1s 0.000346 0.000972 0.000620 0.002354 -0.000666 -0.000287 9C 2s 0.000123 0.000885 0.000767 0.001317 -0.000572 -0.000236 9C 3s 0.026256 -0.002189 -0.016004 0.121032 -0.036616 0.002483 9C 4s -0.140133 0.009578 0.107954 -0.787785 0.215422 -0.025760 9C 5s 0.101406 -0.149896 -0.256274 0.885813 -0.206110 0.076773 9C 1pz -0.001685 -0.001322 -0.001553 -0.006738 0.000176 0.001698 9C 1px 0.012088 -0.000663 0.001791 -0.003820 -0.001529 0.003848 9C 1py 0.000961 0.005132 0.008088 -0.000598 0.002641 -0.005893 9C 2pz 0.097883 -0.047189 -0.087764 0.417100 -0.097023 0.051746 9C 2px -0.135092 -0.021398 -0.057279 0.114682 -0.019075 -0.035091 9C 2py 0.015302 -0.041146 -0.094688 0.261206 -0.073250 0.038864 9C 3pz 0.002541 0.010515 0.041715 -0.133703 0.029019 0.009884 9C 3px -0.029158 -0.000227 0.014493 -0.076255 0.023816 0.001109 9C 3py -0.011016 0.030855 0.023133 -0.084047 0.021018 -0.056180 9C 1dz2 -0.038461 0.000700 -0.008591 -0.010438 0.027741 -0.008618 9C 1dxz 0.058094 0.014565 0.038086 -0.009596 -0.033415 -0.002062 9C 1dyz -0.011768 -0.000260 -0.003166 -0.020459 0.010752 -0.002752 9C 1dx2y2 -0.004433 0.002795 0.001088 0.011591 0.002947 -0.007201 9C 1dxy 0.044882 0.002987 0.021224 -0.006261 -0.027780 0.014086 9C 2dz2 -0.100702 0.019008 -0.013626 -0.096079 0.057995 -0.014678 9C 2dxz 0.172467 0.037366 0.089268 -0.004054 -0.091995 0.022250 9C 2dyz -0.037066 0.016005 0.039526 -0.165775 0.060972 -0.012090 9C 2dx2y2 -0.006898 -0.004076 -0.031733 0.027258 0.021412 0.038167 9C 2dxy 0.121136 0.015124 0.056123 -0.032376 -0.054696 -0.020753 9C 1f0 0.088357 0.006207 0.041186 0.007350 -0.054888 0.004750 9C 1f+1 -0.064088 -0.017606 -0.041697 0.021653 0.032936 0.001033 9C 1f-1 0.032339 0.004298 0.010402 0.025025 -0.021347 0.005046 9C 1f+2 -0.045219 -0.009711 -0.017630 -0.027034 0.029952 -0.000775 9C 1f-2 -0.107263 -0.001058 -0.043810 0.018225 0.064271 -0.023270 9C 1f+3 -0.047489 -0.023531 -0.035578 -0.003281 0.023308 0.001178 9C 1f-3 0.025741 0.015091 0.019674 0.016266 -0.019983 -0.006431 10H 1s -0.040903 0.001892 -0.027021 -0.017315 0.026998 -0.008617 10H 2s -0.050272 0.011772 -0.081576 -0.037693 0.083754 -0.045308 10H 3s 0.022925 -0.000530 -0.027088 0.121172 -0.046013 0.005358 10H 1pz -0.009499 0.005581 -0.024218 -0.004331 0.015584 -0.015745 10H 1px 0.031102 -0.002535 0.027244 0.015418 -0.028180 0.009321 10H 1py -0.005668 -0.002614 -0.002624 -0.000321 0.009465 0.007455 11H 1s 0.005797 -0.000509 0.006749 0.008400 -0.011334 -0.005086 11H 2s 0.009950 0.014169 -0.029268 0.022230 -0.008373 -0.015630 11H 3s 0.013032 0.010192 -0.027963 0.048251 -0.006014 -0.016774 11H 1pz -0.004501 0.001108 0.003235 -0.009666 0.007299 0.004730 11H 1px 0.008182 0.004836 -0.003826 0.005484 -0.008416 0.001737 11H 1py -0.007598 0.002161 -0.001433 -0.010426 0.006351 0.008255 12H 1s 0.017959 0.009137 0.000373 -0.004159 -0.020899 -0.000039 12H 2s 0.026310 0.024551 -0.031986 -0.005234 -0.031218 0.014113 12H 3s 0.011984 -0.000781 -0.032093 0.073160 -0.005788 0.013175 12H 1pz -0.012580 -0.002288 -0.005466 -0.007304 0.008241 -0.005006 12H 1px 0.005309 0.000685 0.002200 0.004531 -0.008303 0.000139 12H 1py 0.017033 0.014731 -0.015181 -0.014015 -0.016382 -0.008769 13H 1s -0.030991 0.002630 -0.010130 -0.002043 -0.047399 -0.011292 13H 2s -0.029912 0.024296 -0.018385 0.015549 -0.118387 0.014154 13H 3s -0.013275 0.033433 0.093385 0.057462 0.064203 -0.005213 13H 1pz -0.015097 0.004364 -0.005007 0.000985 -0.037135 -0.001141 13H 1px 0.018107 -0.006042 0.006669 -0.003063 0.036758 0.002839 13H 1py 0.002246 -0.007272 -0.000374 -0.009025 0.015651 -0.006540 14H 1s 0.014151 0.006614 -0.014213 0.018739 0.020251 0.027354 14H 2s 0.014846 0.032671 -0.031170 0.063349 0.014212 0.058697 14H 3s -0.008018 0.033407 0.075101 0.038887 0.017153 0.008642 14H 1pz 0.007382 0.009197 -0.018419 0.019796 -0.000068 0.021644 14H 1px 0.010201 0.009881 -0.011518 0.022498 0.012687 0.024472 14H 1py 0.009960 0.002057 0.000989 0.002947 0.011711 0.005816 15H 1s -0.000495 0.002131 0.007174 0.004778 0.011657 -0.003123 15H 2s -0.000403 0.037869 0.015427 0.042087 -0.005598 0.007862 15H 3s -0.001229 0.029431 0.037071 0.030615 0.007578 0.028048 15H 1pz -0.002518 -0.005442 -0.011056 -0.012756 -0.009967 -0.005402 15H 1px 0.002767 0.005734 -0.002928 0.005926 0.002639 0.004435 15H 1py -0.000762 -0.006021 0.009188 0.000613 0.007632 0.004454 16H 1s -0.094719 -0.011970 -0.048868 0.005836 0.057352 0.019078 16H 2s -0.108221 -0.004651 -0.004829 -0.064207 -0.011628 0.045146 16H 3s -0.001879 0.004587 0.011266 0.028235 -0.044633 0.000347 16H 1pz -0.085712 -0.006735 -0.025168 -0.020492 0.019438 0.028662 16H 1px 0.007344 -0.001413 -0.009404 0.015017 0.018093 -0.000409 16H 1py -0.056589 -0.005274 -0.014206 -0.006022 0.010254 0.004717 17H 1s -0.075415 -0.002653 0.006439 -0.011767 -0.064912 0.025882 17H 2s -0.114113 -0.002344 0.018469 0.001516 0.008149 0.057676 17H 3s -0.004233 -0.005640 -0.040721 -0.002657 0.019405 0.008569 17H 1pz 0.040723 0.003297 -0.006110 0.006314 0.029454 -0.020745 17H 1px 0.059383 0.002621 -0.003333 -0.002578 -0.001266 -0.022216 17H 1py -0.063342 -0.003189 -0.000966 -0.007113 -0.019480 0.011803 18H 1s 0.075338 -0.005588 -0.004160 0.010195 0.063230 0.022479 18H 2s 0.113990 -0.009590 -0.016060 -0.003023 -0.003772 0.059980 18H 3s 0.004070 0.011974 0.038423 0.003462 -0.018326 0.009799 18H 1pz 0.042105 -0.005820 -0.004031 0.005833 0.030409 0.019900 18H 1px 0.059660 -0.003541 -0.001850 -0.003466 -0.000393 0.022876 18H 1py -0.061952 0.002669 -0.002689 -0.006059 -0.018188 -0.010788 19H 1s 0.094917 0.010497 0.049459 -0.006764 -0.057858 0.021950 19H 2s 0.108097 -0.004351 0.005703 0.063563 0.014437 0.043274 19H 3s 0.001726 0.000514 -0.012069 -0.028007 0.045000 -0.002447 19H 1pz -0.084606 -0.004025 -0.025296 -0.019706 0.018268 -0.028885 19H 1px 0.008031 -0.003287 -0.008872 0.014886 0.017517 -0.000519 19H 1py -0.058253 -0.001153 -0.015854 -0.005694 0.011459 -0.005546 20H 1s 0.000376 -0.000966 -0.007152 -0.004568 -0.012001 -0.002557 20H 2s 0.000125 0.028489 -0.030024 -0.039913 0.006127 0.006872 20H 3s 0.000959 0.011549 -0.047110 -0.029408 -0.005488 0.028129 20H 1pz -0.002721 0.000604 -0.012286 -0.012471 -0.009822 0.005783 20H 1px 0.002753 -0.006673 0.000012 0.005885 0.002506 -0.004593 20H 1py -0.000800 0.008999 0.005966 0.001307 0.007306 -0.005000 21H 1s -0.014058 0.012561 0.009424 -0.018458 -0.018679 0.028075 21H 2s -0.014939 0.044192 0.012234 -0.061546 -0.010726 0.058462 21H 3s 0.007616 -0.000479 -0.081850 -0.037622 -0.016884 0.009166 21H 1pz 0.007440 -0.016872 -0.012319 0.019473 -0.001594 -0.021528 21H 1px 0.010162 -0.014266 -0.005538 0.021783 0.011169 -0.024601 21H 1py 0.009972 -0.001584 0.001963 0.003025 0.011670 -0.006468 22H 1s 0.031341 0.006294 0.007945 0.002678 0.047607 -0.014414 22H 2s 0.030308 0.029233 0.005848 -0.013120 0.121173 0.005871 22H 3s 0.013175 -0.007610 -0.099778 -0.056523 -0.064753 -0.001873 22H 1pz -0.015103 -0.005601 -0.002408 0.000274 -0.037141 0.003708 22H 1px 0.018357 0.008195 0.003459 -0.002431 0.037465 -0.005290 22H 1py 0.002464 0.006642 -0.003625 -0.008570 0.016676 0.005234 23H 1s -0.017391 0.007647 -0.003810 0.003993 0.020283 -0.001055 23H 2s -0.025444 0.033677 0.018731 0.004540 0.029131 0.012686 23H 3s -0.011726 0.014512 0.027742 -0.072126 0.006101 0.012718 23H 1pz -0.012533 0.000046 -0.005800 -0.007667 0.008599 0.004477 23H 1px 0.005005 0.000768 0.002432 0.004859 -0.007823 0.000482 23H 1py 0.016479 -0.018647 -0.007784 -0.014283 -0.014982 0.009312 24H 1s -0.006049 -0.003449 -0.006446 -0.008103 0.011529 -0.005968 24H 2s -0.009721 0.023565 0.018419 -0.021153 0.007371 -0.016587 24H 3s -0.012877 0.021765 0.019995 -0.048831 0.004677 -0.017227 24H 1pz -0.004610 0.001592 0.004086 -0.009578 0.007039 -0.005354 24H 1px 0.008293 -0.005717 -0.001083 0.005354 -0.008567 -0.000923 24H 1py -0.007740 -0.002693 -0.000904 -0.010152 0.006014 -0.008630 25H 1s 0.041421 0.012105 0.023327 0.017586 -0.028076 -0.005489 25H 2s 0.052027 0.041863 0.067758 0.038481 -0.087874 -0.035489 25H 3s -0.023485 0.014986 0.023480 -0.121557 0.046639 0.001430 25H 1pz -0.010161 -0.014840 -0.019524 -0.004813 0.016980 0.013957 25H 1px 0.031550 0.012511 0.023087 0.015583 -0.029306 -0.005901 25H 1py -0.005336 0.001779 -0.003004 0.000299 0.008981 -0.008563 26O 1s 0.000632 0.000035 0.000535 -0.000131 -0.000606 0.000016 26O 2s 0.002313 0.000025 0.001662 0.000553 -0.002053 0.000025 26O 3s -0.063452 -0.000359 -0.030070 -0.037536 0.044529 0.002921 26O 4s 0.408716 0.017424 0.171688 0.071615 -0.162606 -0.017942 26O 5s -0.125414 -0.057091 -0.059928 0.841499 -0.463804 -0.069278 26O 1pz 0.033407 0.020720 -0.005574 -0.025576 -0.036860 -0.030390 26O 1px 0.002321 0.008762 -0.012524 0.033395 -0.042895 -0.019819 26O 1py 0.002597 -0.023340 0.060289 0.012653 -0.013794 0.044975 26O 2pz -0.181878 -0.085224 0.002392 0.051623 0.201531 0.128353 26O 2px -0.115502 -0.029551 0.036389 -0.274324 0.225070 0.091884 26O 2py -0.077793 0.094523 -0.260296 -0.134999 0.106663 -0.184550 26O 3pz -0.240691 -0.115879 -0.091908 0.288877 0.159096 0.024153 26O 3px -0.301625 -0.059379 -0.070883 -0.202622 0.300328 0.043284 26O 3py -0.195557 0.073813 -0.351533 0.048347 0.143734 -0.079185 26O 1dz2 0.159127 0.065995 0.074867 -0.090877 -0.139536 0.059949 26O 1dxz 0.072132 -0.134642 0.244181 0.186081 0.045047 0.206791 26O 1dyz 0.200272 -0.053412 0.249874 -0.075776 -0.056188 0.023007 26O 1dx2y2 -0.213783 -0.174286 0.206921 0.013337 0.249408 0.286274 26O 1dxy 0.134985 0.212163 -0.388147 -0.052390 -0.045403 -0.256624 26O 2dz2 -0.116333 -0.035194 -0.080085 0.014175 0.130154 -0.068615 26O 2dxz 0.120475 0.176584 -0.184572 -0.196531 -0.182875 -0.257247 26O 2dyz -0.091555 0.057082 -0.177171 0.051492 -0.002449 -0.039636 26O 2dx2y2 0.136985 0.192575 -0.318883 0.049648 -0.225911 -0.329565 26O 2dxy -0.066168 -0.226782 0.453490 0.116962 -0.009823 0.300576 26O 1f0 0.143425 0.056203 0.009962 -0.047686 -0.125718 -0.081459 26O 1f+1 -0.087344 -0.018233 -0.024877 0.038461 0.028706 0.029020 26O 1f-1 -0.019735 -0.042993 0.070044 0.042830 0.010611 0.073035 26O 1f+2 -0.132657 -0.081372 0.047705 0.047342 0.118526 0.109500 26O 1f-2 -0.143936 -0.052336 -0.026959 0.048465 0.127027 0.058511 26O 1f+3 -0.066488 0.117785 -0.304369 0.000394 -0.003179 -0.202152 26O 1f-3 -0.033089 -0.048297 0.097417 0.041409 -0.019554 0.074797 27O 1s 0.000249 -0.000192 -0.000197 -0.000064 0.000540 -0.000402 27O 2s 0.000868 -0.000386 0.000525 -0.000103 0.001720 -0.000946 27O 3s -0.033973 -0.001811 -0.037517 -0.009151 -0.048795 -0.012585 27O 4s 0.321659 0.012756 0.078978 0.041893 0.247426 0.210887 27O 5s -0.363714 0.108693 0.752406 0.226544 0.435057 -0.100658 27O 1pz 0.021395 -0.025147 -0.003550 -0.039942 0.023552 -0.014138 27O 1px -0.017423 -0.002972 0.028496 0.003127 0.042657 -0.012619 27O 1py -0.017156 -0.013867 0.029356 -0.033736 -0.025892 -0.037081 27O 2pz -0.091440 0.097606 0.009206 0.151340 -0.130748 0.073068 27O 2px -0.000553 -0.018332 -0.273148 -0.056410 -0.267262 -0.018517 27O 2py 0.099365 0.064667 -0.064343 0.166530 0.184885 0.176798 27O 3pz -0.110059 0.165598 0.155960 0.181760 -0.120518 -0.004769 27O 3px -0.214361 -0.006620 -0.151819 -0.090232 -0.406014 -0.071347 27O 3py 0.245141 0.047201 -0.286759 0.108853 0.180987 0.082534 27O 1dz2 -0.040920 -0.123165 0.047537 -0.098189 0.092882 -0.005561 27O 1dxz 0.082130 0.241342 -0.073553 0.429099 0.049524 0.299888 27O 1dyz -0.182364 0.005470 0.192305 -0.057526 -0.133734 -0.233685 27O 1dx2y2 -0.144028 0.037748 0.070819 0.039634 -0.276509 0.022854 27O 1dxy -0.156189 0.152362 -0.159019 0.225887 -0.172590 0.067310 27O 2dz2 0.033291 0.091964 -0.083782 0.063143 -0.117170 0.000198 27O 2dxz 0.036960 -0.273453 0.044359 -0.451683 0.092323 -0.266326 27O 2dyz 0.142742 0.016111 -0.171298 0.082659 0.104591 0.211817 27O 2dx2y2 0.061435 -0.048272 0.055470 -0.069424 0.240877 -0.087803 27O 2dxy 0.009191 -0.169680 0.183895 -0.300641 -0.011104 -0.194344 27O 1f0 0.087816 -0.081441 -0.013908 -0.116853 0.118050 -0.027909 27O 1f+1 -0.030560 -0.022481 0.022283 -0.026915 0.030181 -0.034006 27O 1f-1 -0.032644 -0.029830 0.031524 -0.057608 -0.046151 -0.042326 27O 1f+2 -0.106904 0.094427 -0.011102 0.129172 -0.142617 0.049213 27O 1f-2 0.027877 -0.052877 0.011548 -0.078295 0.052204 -0.042731 27O 1f+3 -0.125458 -0.052180 0.106272 -0.116538 -0.075272 -0.176329 27O 1f-3 -0.110839 -0.057718 0.098039 -0.146455 -0.154897 -0.142198 28O 1s 0.000318 -0.000088 0.000171 -0.000164 0.000096 -0.000126 28O 2s 0.001002 -0.000201 0.000504 0.000366 -0.000456 -0.000400 28O 3s 0.012692 0.003917 0.006197 -0.034656 0.013246 0.002138 28O 4s -0.274968 -0.012492 -0.081241 0.046033 0.003093 0.027756 28O 5s 0.242790 -0.068540 -0.166195 0.962020 -0.117107 -0.083472 28O 1pz -0.005162 0.011717 -0.044578 0.009815 0.019157 -0.003672 28O 1px -0.022192 0.012771 -0.013425 -0.048301 -0.001625 0.002451 28O 1py -0.027933 -0.028379 0.034703 0.002417 0.035741 0.008672 28O 2pz 0.091396 -0.035999 0.223910 -0.167782 -0.058131 0.022126 28O 2px 0.046968 -0.052590 0.044512 0.285221 -0.055110 0.002388 28O 2py 0.139599 0.120252 -0.119026 -0.054176 -0.156204 -0.051934 28O 3pz 0.319088 -0.042922 0.327364 0.045047 -0.245778 -0.042990 28O 3px -0.124566 -0.075281 -0.040204 0.311004 -0.003811 -0.039556 28O 3py 0.204266 0.120428 -0.081609 0.095280 -0.220835 0.041602 28O 1dz2 -0.245706 -0.130251 0.134948 0.082285 0.140510 0.139676 28O 1dxz -0.042657 0.083773 -0.232019 -0.060536 0.136871 0.030821 28O 1dyz -0.218945 0.110533 -0.329802 -0.123837 0.074133 -0.054570 28O 1dx2y2 0.152966 0.135667 -0.069384 -0.111877 -0.148349 0.044369 28O 1dxy -0.109327 -0.223060 0.363556 -0.034194 0.204950 0.077705 28O 2dz2 0.093350 0.154166 -0.279874 -0.092892 -0.054338 -0.130750 28O 2dxz 0.044532 -0.074136 0.244300 -0.037025 -0.111523 -0.018187 28O 2dyz 0.086091 -0.147310 0.310330 0.122900 0.014370 0.071121 28O 2dx2y2 -0.022326 -0.114815 0.115284 0.165025 0.043514 -0.046794 28O 2dxy 0.197308 0.254770 -0.351821 0.004103 -0.269351 -0.093406 28O 1f0 0.087750 -0.053868 0.149474 0.047676 -0.035744 0.025251 28O 1f+1 -0.092272 0.069798 -0.228663 -0.028045 0.076819 -0.030692 28O 1f-1 0.064915 0.027424 -0.000360 0.006391 -0.072949 -0.020032 28O 1f+2 -0.108720 -0.021272 -0.002817 -0.044260 0.051477 0.014665 28O 1f-2 -0.142034 -0.120035 0.113823 0.039862 0.145902 0.045451 28O 1f+3 -0.121805 0.005189 -0.075940 -0.035752 0.070059 0.023840 28O 1f-3 -0.094207 -0.091010 0.105029 0.019194 0.102853 0.033673 29O 1s 0.003631 0.000284 0.000771 0.000235 0.000210 -0.000459 29O 2s 0.011950 0.000946 0.002494 0.000791 0.000680 -0.001872 29O 3s -0.167909 -0.013147 -0.032461 -0.013123 -0.008937 0.032520 29O 4s 0.402183 0.032434 0.080645 0.028561 0.023404 -0.075865 29O 5s -0.152306 -0.019742 -0.080168 0.027320 -0.029442 -0.050995 29O 1pz 0.008415 0.002474 0.012825 0.001224 -0.022379 -0.002015 29O 1px -0.009411 -0.000201 0.002426 -0.000439 -0.006913 0.005637 29O 1py 0.019146 0.001445 0.001671 0.002549 0.002228 -0.006164 29O 2pz -0.050282 -0.009607 -0.053603 -0.016102 0.083855 0.010319 29O 2px 0.071634 0.002814 -0.009468 0.007815 0.029034 -0.028853 29O 2py -0.118887 -0.008968 -0.012316 -0.014920 -0.011664 0.038774 29O 3pz -0.016569 -0.000007 0.010244 -0.014977 -0.066031 -0.000200 29O 3px 0.072637 0.008950 0.043188 -0.020256 -0.000721 -0.015183 29O 3py -0.011251 0.003332 0.012249 -0.010848 0.008246 0.023943 29O 1dz2 -0.057926 -0.004265 -0.023581 0.022780 0.044255 0.000465 29O 1dxz -0.006933 0.002019 0.006001 -0.032263 -0.043067 0.014093 29O 1dyz 0.005290 -0.008609 -0.034729 -0.007388 0.027890 -0.000183 29O 1dx2y2 -0.036349 -0.001832 -0.005995 -0.025097 -0.027831 -0.034500 29O 1dxy 0.009666 0.006012 0.021061 -0.019360 0.035645 -0.014911 29O 2dz2 0.098352 0.008011 0.035873 -0.009894 -0.053074 -0.012109 29O 2dxz 0.035844 -0.001009 -0.011756 0.028870 0.054706 -0.021805 29O 2dyz 0.004845 0.008903 0.043686 0.012459 -0.045777 -0.000170 29O 2dx2y2 0.024593 0.000924 0.000957 0.019496 0.029099 0.030442 29O 2dxy -0.044312 -0.006597 -0.014584 0.012610 -0.040208 0.026065 29O 1f0 -0.072293 -0.006350 -0.013375 -0.004261 -0.003461 0.015549 29O 1f+1 0.033984 0.002873 0.010895 0.000466 -0.008072 -0.005927 29O 1f-1 -0.074169 -0.006287 -0.025721 -0.001436 0.026977 0.018333 29O 1f+2 0.034507 0.003110 0.010025 0.005044 0.001598 -0.004805 29O 1f-2 -0.036150 -0.000760 0.009100 -0.009667 -0.042560 0.015628 29O 1f+3 0.024115 0.001767 0.002478 0.002429 0.010252 -0.003966 29O 1f-3 0.023643 -0.000312 -0.007249 0.008067 0.021626 -0.005676 30O 1s 0.000023 -0.000109 -0.000014 -0.000208 -0.000138 0.000211 30O 2s -0.000304 -0.000273 0.000672 -0.000430 0.000002 0.000224 30O 3s 0.034649 -0.000398 -0.036220 0.000916 0.007254 0.022790 30O 4s -0.296376 -0.008684 0.059101 -0.043193 -0.171715 -0.223845 30O 5s 0.050828 0.165411 0.912767 0.264240 0.245764 0.048880 30O 1pz -0.001734 -0.023618 0.036930 -0.046047 -0.012968 -0.040064 30O 1px -0.012132 -0.013430 -0.037743 -0.022010 -0.023132 -0.022105 30O 1py 0.012786 -0.019516 -0.009186 -0.020924 0.042276 -0.010769 30O 2pz 0.073636 0.078216 -0.233858 0.169642 0.054590 0.214715 30O 2px -0.007339 0.061548 0.209857 0.113073 0.123168 0.036157 30O 2py -0.133898 0.093786 0.146759 0.101948 -0.185364 0.005451 30O 3pz 0.200521 0.123446 -0.111498 0.214298 0.238560 0.084648 30O 3px -0.125306 0.071250 0.284433 0.109125 0.026430 -0.029449 30O 3py -0.234158 0.106415 -0.025023 0.010702 -0.464681 -0.027197 30O 1dz2 -0.031726 0.170074 -0.007944 0.322009 -0.021230 0.298560 30O 1dxz -0.064921 -0.226116 0.146172 -0.349070 -0.095096 -0.196552 30O 1dyz 0.200114 0.007430 0.062600 0.008531 0.165541 0.062590 30O 1dx2y2 0.191257 -0.018841 -0.110078 0.055465 0.137431 0.176697 30O 1dxy 0.081848 -0.172094 0.118162 -0.182774 0.303873 -0.081354 30O 2dz2 -0.007884 -0.216314 0.034392 -0.400413 -0.027195 -0.365804 30O 2dxz 0.043243 0.216189 -0.207025 0.333514 0.032135 0.206929 30O 2dyz -0.088201 0.008484 -0.115748 0.037848 -0.055685 0.026899 30O 2dx2y2 -0.033799 0.002891 0.111203 -0.024220 0.080473 -0.080277 30O 2dxy -0.102301 0.195913 -0.047873 0.223809 -0.292838 0.106481 30O 1f0 0.027762 0.019353 0.009166 0.034726 0.004323 0.048165 30O 1f+1 -0.033416 -0.118514 0.064954 -0.205309 -0.033384 -0.177706 30O 1f-1 -0.028815 -0.095978 0.059517 -0.163223 -0.032903 -0.144117 30O 1f+2 -0.121152 0.045779 -0.033555 0.027022 -0.204817 -0.046270 30O 1f-2 0.018604 0.005185 -0.061402 0.034614 0.055224 0.018370 30O 1f+3 -0.119090 0.054688 -0.006282 0.045611 -0.203185 0.007642 30O 1f-3 -0.082980 -0.045377 0.002936 -0.088910 -0.092231 -0.103655 31O 1s -0.000036 -0.000090 0.000070 0.000197 0.000145 0.000210 31O 2s 0.000264 -0.000515 -0.000465 0.000398 0.000006 0.000252 31O 3s -0.034371 0.014651 0.032869 -0.000576 -0.006338 0.022706 31O 4s 0.297234 -0.033913 -0.050226 0.042803 0.162802 -0.230424 31O 5s -0.052672 -0.227673 -0.897511 -0.263417 -0.242501 0.056554 31O 1pz -0.001905 0.038750 0.022462 -0.045259 -0.010516 0.040657 31O 1px -0.012402 -0.002925 -0.040054 -0.021907 -0.021999 0.023036 31O 1py 0.012686 0.014368 -0.017179 -0.020327 0.043312 0.007980 31O 2pz 0.074599 -0.176195 -0.174943 0.166611 0.042073 -0.216908 31O 2px -0.006585 0.028462 0.217451 0.112713 0.120710 -0.042266 31O 2py -0.133723 -0.025698 0.175401 0.099700 -0.188161 0.006504 31O 3pz 0.201146 -0.166953 -0.047051 0.209222 0.236482 -0.097262 31O 3px -0.124716 0.052376 0.288771 0.107928 0.026684 0.028786 31O 3py -0.234147 -0.106074 0.024162 0.006451 -0.465659 0.054012 31O 1dz2 0.030017 0.168896 -0.071708 -0.317921 0.040787 0.294697 31O 1dxz 0.066292 -0.279542 -0.030947 0.340886 0.083473 -0.200313 31O 1dyz -0.201150 -0.018844 -0.058236 -0.008782 -0.165275 0.071252 31O 1dx2y2 -0.192576 0.032117 0.106380 -0.056688 -0.128223 0.183944 31O 1dxy -0.081695 -0.211513 -0.029855 0.176029 -0.311623 -0.061688 31O 2dz2 0.010072 -0.224936 0.068597 0.394849 0.003868 -0.364153 31O 2dxz -0.044361 0.295421 0.089994 -0.325264 -0.019395 0.207025 31O 2dyz 0.088541 0.057805 0.099378 -0.037138 0.059230 0.024096 31O 2dx2y2 0.034098 -0.045031 -0.100349 0.024081 -0.086085 -0.075162 31O 2dxy 0.101865 0.204797 -0.044718 -0.216909 0.302322 0.087110 31O 1f0 0.028234 -0.014989 0.017147 0.034482 0.001376 -0.047859 31O 1f+1 -0.034445 0.142339 0.004654 -0.201775 -0.022503 0.178156 31O 1f-1 -0.029674 0.118063 0.010102 -0.160245 -0.024065 0.144783 31O 1f+2 -0.121810 -0.055825 -0.009543 0.024699 -0.204411 0.058385 31O 1f-2 0.018503 -0.032021 -0.052665 0.034146 0.054047 -0.021701 31O 1f+3 -0.119290 -0.053040 0.019363 0.043536 -0.205729 0.004653 31O 1f-3 -0.083845 0.045937 -0.017660 -0.087973 -0.087033 0.108147 32O 1s -0.003634 -0.000068 -0.000838 -0.000193 -0.000157 -0.000455 32O 2s -0.011956 -0.000193 -0.002719 -0.000653 -0.000538 -0.001854 32O 3s 0.167955 0.001649 0.035653 0.011195 0.007637 0.032252 32O 4s -0.402263 -0.004330 -0.088347 -0.024197 -0.020639 -0.075066 32O 5s 0.152575 0.017145 0.083056 -0.027864 0.021746 -0.052117 32O 1pz 0.007959 0.003235 0.012503 0.001193 -0.022304 0.002914 32O 1px -0.009640 0.001223 0.001982 -0.000173 -0.006667 -0.005309 32O 1py 0.019322 -0.000544 0.002533 0.002266 0.001565 0.006069 32O 2pz -0.047411 -0.013835 -0.051901 -0.015879 0.083592 -0.012408 32O 2px 0.072814 -0.006768 -0.006767 0.006620 0.028703 0.028099 32O 2py -0.119576 0.002776 -0.016565 -0.013647 -0.009781 -0.038346 32O 3pz -0.015993 0.005085 0.009052 -0.014950 -0.065516 0.004905 32O 3px 0.072528 0.011067 0.042592 -0.020054 0.000319 0.015630 32O 3py -0.010919 0.002890 0.013915 -0.011421 0.003500 -0.024324 32O 1dz2 0.058205 0.007171 0.022352 -0.023999 -0.044985 0.002583 32O 1dxz 0.007129 -0.002340 -0.006326 0.031264 0.042749 0.012412 32O 1dyz -0.002093 0.007009 0.035504 0.008151 -0.028242 0.001247 32O 1dx2y2 0.036479 -0.000142 0.006738 0.024824 0.025901 -0.034789 32O 1dxy -0.008848 -0.004716 -0.021953 0.020230 -0.034166 -0.012756 32O 2dz2 -0.098466 -0.008346 -0.034554 0.011587 0.052454 -0.014439 32O 2dxz -0.036241 0.005618 0.011256 -0.027398 -0.054942 -0.019890 32O 2dyz -0.009526 -0.010438 -0.044096 -0.013565 0.046315 -0.002356 32O 2dx2y2 -0.024827 0.001422 -0.001387 -0.019134 -0.027994 0.030801 32O 2dxy 0.043019 0.001244 0.016607 -0.013911 0.038538 0.023830 32O 1f0 -0.067495 0.000411 -0.013476 -0.003242 -0.004541 -0.014069 32O 1f+1 0.036996 0.001876 0.011310 0.000545 -0.006850 0.007438 32O 1f-1 -0.076927 -0.005306 -0.026276 -0.000666 0.026595 -0.020214 32O 1f+2 0.038056 0.001334 0.011099 0.005252 0.001767 0.005725 32O 1f-2 -0.034429 0.005121 0.008448 -0.008807 -0.042715 -0.013291 32O 1f+3 0.022767 -0.000292 0.003537 0.001932 0.008647 0.003168 32O 1f-3 0.022909 -0.003203 -0.006716 0.007434 0.021095 0.004625 33O 1s -0.000322 -0.000152 -0.000116 0.000168 -0.000083 -0.000118 33O 2s -0.001015 -0.000368 -0.000371 -0.000350 0.000495 -0.000423 33O 3s -0.012393 -0.000480 -0.007065 0.034467 -0.013675 0.002746 33O 4s 0.273749 0.024767 0.077427 -0.045843 -0.002741 0.030632 33O 5s -0.244464 0.045611 0.177900 -0.961820 0.116281 -0.096963 33O 1pz -0.005185 -0.030302 -0.035582 0.008905 0.019752 0.002184 33O 1px -0.022176 -0.015401 -0.007090 -0.048773 -0.000989 -0.002885 33O 1py -0.027934 0.040320 0.019890 0.003924 0.034578 -0.010609 33O 2pz 0.090760 0.135571 0.187640 -0.163867 -0.061175 -0.017256 33O 2px 0.047416 0.055996 0.019861 0.287216 -0.057977 0.003071 33O 2py 0.139583 -0.157145 -0.059008 -0.060497 -0.150444 0.060434 33O 3pz 0.319219 0.176151 0.277007 0.048401 -0.246598 0.063408 33O 3px -0.123733 0.038936 -0.067615 0.313091 -0.002218 0.040147 33O 3py 0.205183 -0.146850 -0.023500 0.089384 -0.223370 -0.026291 33O 1dz2 0.244975 -0.172963 -0.071078 -0.089769 -0.130015 0.147721 33O 1dxz 0.042522 0.174148 0.175063 0.065761 -0.135854 0.040686 33O 1dyz 0.219711 0.235435 0.252219 0.130561 -0.083571 -0.045314 33O 1dx2y2 -0.153241 0.146863 0.005835 0.117118 0.150396 0.035568 33O 1dxy 0.109638 -0.357963 -0.237643 0.021652 -0.197148 0.087408 33O 2dz2 -0.093198 0.256492 0.192031 0.102451 0.042786 -0.131741 33O 2dxz -0.044258 -0.174398 -0.190222 0.031738 0.111172 -0.026382 33O 2dyz -0.086738 -0.259976 -0.219485 -0.131197 -0.004312 0.067794 33O 2dx2y2 0.022393 -0.146007 -0.056315 -0.169683 -0.044320 -0.045577 33O 2dxy -0.197679 0.380326 0.214157 0.009865 0.260163 -0.107357 33O 1f0 0.087242 0.110801 0.113025 0.050927 -0.039231 -0.021140 33O 1f+1 -0.092173 -0.160882 -0.178866 -0.033057 0.081105 0.023713 33O 1f-1 0.064818 -0.024334 0.011257 0.005228 -0.071555 0.024371 33O 1f+2 -0.108734 0.020227 -0.010991 -0.042911 0.051782 -0.018590 33O 1f-2 -0.142121 0.154845 0.053590 0.045792 0.141142 -0.053610 33O 1f+3 -0.122023 -0.035629 -0.066301 -0.036191 0.070133 -0.029544 33O 1f-3 -0.094344 0.126389 0.058063 0.024011 0.099331 -0.039230 34O 1s -0.000251 -0.000086 0.000260 0.000062 -0.000560 -0.000353 34O 2s -0.000881 -0.000554 -0.000308 0.000092 -0.001773 -0.000798 34O 3s 0.034347 0.013545 0.034729 0.009453 0.048617 -0.015832 34O 4s -0.323880 -0.018923 -0.076811 -0.043539 -0.239966 0.225499 34O 5s 0.362693 -0.211358 -0.726578 -0.225924 -0.439602 -0.076649 34O 1pz 0.021482 0.022614 -0.014629 -0.038967 0.025413 0.012285 34O 1px -0.017220 0.014474 0.024378 0.003375 0.043565 0.009933 34O 1py -0.017471 0.026339 0.020247 -0.033198 -0.023477 0.038405 34O 2pz -0.091734 -0.089402 0.052933 0.147661 -0.139217 -0.063513 34O 2px -0.001852 -0.096051 -0.254662 -0.057814 -0.268689 0.034154 34O 2py 0.100840 -0.092607 -0.028715 0.164611 0.173946 -0.186540 34O 3pz -0.110303 -0.089514 0.213398 0.175770 -0.122523 0.014052 34O 3px -0.215046 -0.053659 -0.140192 -0.091562 -0.404464 0.095048 34O 3py 0.245127 -0.168670 -0.238197 0.105248 0.175574 -0.094007 34O 1dz2 0.040731 -0.134959 0.010042 0.093127 -0.093470 0.000737 34O 1dxz -0.083179 0.265232 -0.042681 -0.420480 -0.026930 0.298072 34O 1dyz 0.183954 -0.079344 -0.175600 0.057931 0.120331 -0.240729 34O 1dx2y2 0.145152 0.004550 -0.082464 -0.038623 0.281807 0.005346 34O 1dxy 0.156342 0.212799 0.075009 -0.218747 0.182561 0.056184 34O 2dz2 -0.032898 0.120684 0.036255 -0.058989 0.117795 -0.007361 34O 2dxz -0.036567 -0.282110 0.083807 0.441628 -0.115401 -0.255915 34O 2dyz -0.144085 0.090745 0.146878 -0.082215 -0.091698 0.217071 34O 2dx2y2 -0.062089 -0.068818 -0.027163 0.067537 -0.249806 -0.072112 34O 2dxy -0.008260 -0.242398 -0.089618 0.293422 -0.005069 -0.193253 34O 1f0 0.088290 0.071521 -0.049721 -0.113706 0.123180 0.019713 34O 1f+1 -0.030415 0.030692 0.010221 -0.026157 0.032442 0.031685 34O 1f-1 -0.032984 0.042610 0.015166 -0.056386 -0.043337 0.044645 34O 1f+2 -0.107294 -0.094191 0.032718 0.125329 -0.149262 -0.039359 34O 1f-2 0.027921 0.055461 -0.013635 -0.076442 0.056636 0.038942 34O 1f+3 -0.126426 0.096786 0.072395 -0.114779 -0.064565 0.179410 34O 1f-3 -0.111895 0.099651 0.062396 -0.144135 -0.145698 0.150269 35O 1s -0.000631 -0.000200 -0.000502 0.000129 0.000612 -0.000022 35O 2s -0.002316 -0.000666 -0.001527 -0.000556 0.002087 -0.000106 35O 3s 0.063615 0.011203 0.027583 0.037505 -0.045326 0.006012 35O 4s -0.408772 -0.055627 -0.162887 -0.071247 0.166240 -0.030443 35O 5s 0.120915 0.005150 0.076987 -0.841829 0.462372 -0.100269 35O 1pz 0.033265 -0.020118 0.003414 -0.026616 -0.035368 0.032685 35O 1px 0.002464 -0.014535 -0.007542 0.032739 -0.042030 0.022542 35O 1py 0.002755 0.046378 0.044858 0.014284 -0.016408 -0.043429 35O 2pz -0.181364 0.075875 -0.032671 0.055912 0.195279 -0.141455 35O 2px -0.116524 0.052314 0.019841 -0.271516 0.222496 -0.106882 35O 2py -0.078955 -0.191808 -0.196714 -0.141678 0.118583 0.174441 35O 3pz -0.238910 0.053541 -0.132467 0.293056 0.158778 -0.034494 35O 3px -0.301582 0.029120 -0.090412 -0.200418 0.300901 -0.063825 35O 3py -0.195299 -0.218884 -0.286759 0.042296 0.146674 0.067808 35O 1dz2 -0.158488 0.023685 -0.096183 0.092482 0.144983 0.049685 35O 1dxz -0.072596 -0.219534 -0.165828 -0.194667 -0.032328 0.206812 35O 1dyz -0.199654 -0.158342 -0.203232 0.071874 0.057353 0.017243 35O 1dx2y2 0.213593 -0.244865 -0.115173 -0.023643 -0.233708 0.300682 35O 1dxy -0.133857 0.354655 0.262215 0.065310 0.032116 -0.255995 35O 2dz2 0.116190 0.003493 0.088334 -0.014548 -0.136040 -0.058888 35O 2dxz -0.119553 0.231224 0.094849 0.206794 0.168559 -0.266918 35O 2dyz 0.091062 0.129676 0.136366 -0.047687 0.001041 -0.038520 35O 2dx2y2 -0.136625 0.311739 0.208538 -0.037306 0.207629 -0.341450 35O 2dxy 0.064461 -0.393472 -0.315547 -0.131104 0.026666 0.295337 35O 1f0 0.142991 -0.044659 0.031779 -0.050477 -0.121908 0.089800 35O 1f+1 -0.086917 0.004334 -0.029491 0.039149 0.027203 -0.030948 35O 1f-1 -0.019232 0.067267 0.045947 0.045605 0.006612 -0.072980 35O 1f+2 -0.131954 0.091816 0.009653 0.051573 0.112778 -0.116555 35O 1f-2 -0.143671 0.034094 -0.045605 0.050909 0.124946 -0.067337 35O 1f+3 -0.067235 -0.236582 -0.226362 -0.007829 0.008988 0.199427 35O 1f-3 -0.032522 0.083180 0.067956 0.044451 -0.023615 -0.072251 714 715 716 717 718 719 6.79210 6.79318 6.84564 6.87051 6.87335 6.89181 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s -0.000034 -0.000003 0.000016 -0.000053 -0.000000 0.000086 0Rh 2s 0.000721 -0.000051 0.000059 -0.000164 -0.000146 -0.000562 0Rh 3s 0.000215 -0.000046 0.000130 -0.000421 -0.000086 0.000196 0Rh 4s -0.004459 0.000284 -0.000263 0.000754 0.000892 0.003800 0Rh 5s 0.014358 -0.000952 0.000941 -0.004029 -0.003321 -0.011369 0Rh 6s -0.027161 0.002080 -0.002018 0.015944 0.008614 0.015641 0Rh 7s 0.113959 -0.002192 -0.003577 -0.089130 -0.046982 -0.039935 0Rh 8s -0.042659 -0.007237 -0.007938 0.045620 0.016310 0.039669 0Rh 1pz 0.044856 -0.016919 0.000051 -0.008539 -0.041090 -0.001466 0Rh 1px 0.007830 -0.012493 -0.000260 0.009298 -0.013004 0.001296 0Rh 1py 0.023114 0.035431 0.000140 -0.039971 0.007957 -0.000403 0Rh 2pz -0.190560 0.071906 -0.000217 0.036244 0.174431 0.006227 0Rh 2px -0.033256 0.053077 0.001099 -0.039473 0.055196 -0.005488 0Rh 2py -0.098204 -0.150539 -0.000593 0.169653 -0.033809 0.001732 0Rh 3pz 0.675922 -0.255620 0.000756 -0.127889 -0.615876 -0.021997 0Rh 3px 0.117659 -0.188325 -0.003764 0.139450 -0.194724 0.018958 0Rh 3py 0.348424 0.534289 0.002061 -0.598461 0.119890 -0.006626 0Rh 4pz -0.994641 0.377171 -0.001096 0.186953 0.901875 0.032024 0Rh 4px -0.171277 0.277187 0.005204 -0.204497 0.284431 -0.025863 0Rh 4py -0.512184 -0.786387 -0.002919 0.875020 -0.176463 0.011700 0Rh 5pz 0.640637 -0.242289 0.000983 -0.122331 -0.596607 -0.020919 0Rh 5px 0.103629 -0.178154 -0.003196 0.134976 -0.186725 0.013228 0Rh 5py 0.325739 0.503832 0.001788 -0.577361 0.115827 -0.013754 0Rh 6pz 0.261950 -0.095967 -0.017125 -0.071662 -0.363397 0.016167 0Rh 6px 0.085750 -0.074467 0.013682 0.069446 -0.114796 -0.013400 0Rh 6py 0.162480 0.240580 -0.007496 -0.377525 0.050183 0.070812 0Rh 1dz2 -0.002693 -0.002115 0.000032 0.000515 -0.001228 -0.005161 0Rh 1dxz 0.002834 -0.002968 0.000135 0.001098 0.002906 -0.002419 0Rh 1dyz -0.000559 0.001511 -0.000082 -0.000862 0.000927 0.002429 0Rh 1dx2y2 0.000626 -0.003502 0.000160 -0.001538 0.000591 -0.003297 0Rh 1dxy 0.001890 0.002670 -0.000031 0.003091 -0.000022 -0.000375 0Rh 2dz2 0.000568 0.000416 0.000016 0.000309 0.001470 0.000565 0Rh 2dxz -0.000724 0.000859 -0.000073 -0.000377 -0.002549 0.000432 0Rh 2dyz 0.000267 -0.000894 -0.000047 0.000947 -0.000719 0.000029 0Rh 2dx2y2 0.000101 0.000799 -0.000025 0.000522 -0.001015 -0.000332 0Rh 2dxy -0.000249 -0.000714 0.000001 -0.003217 0.000099 -0.000134 0Rh 3dz2 0.013198 0.010313 -0.000250 -0.004703 -0.000461 0.027788 0Rh 3dxz -0.013440 0.013256 -0.000400 -0.004539 -0.003834 0.012188 0Rh 3dyz 0.001874 -0.004086 0.000734 0.000163 -0.001738 -0.014662 0Rh 3dx2y2 -0.004294 0.016791 -0.000856 0.006368 0.001852 0.021360 0Rh 3dxy -0.010173 -0.012395 0.000169 -0.001446 -0.000426 0.002945 0Rh 4dz2 -0.037654 -0.027162 0.000485 0.014988 0.007901 -0.075824 0Rh 4dxz 0.039463 -0.035697 0.000608 0.011233 -0.000305 -0.032714 0Rh 4dyz -0.003853 0.005590 -0.002344 0.003624 0.001894 0.041789 0Rh 4dx2y2 0.013397 -0.046779 0.002745 -0.015750 -0.009894 -0.061421 0Rh 4dxy 0.030811 0.035271 -0.000394 -0.009748 0.001982 -0.008958 0Rh 5dz2 0.084930 0.045046 0.001422 -0.039923 -0.039629 0.125477 0Rh 5dxz -0.088142 0.065614 0.001129 -0.019817 0.035380 0.050798 0Rh 5dyz 0.004991 0.027262 0.007334 -0.026648 0.004217 -0.075584 0Rh 5dx2y2 -0.038307 0.094013 -0.007173 0.028243 0.037392 0.118844 0Rh 5dxy -0.075533 -0.072596 0.001377 0.064751 -0.006420 0.022278 0Rh 1f0 0.000416 0.026819 0.000445 -0.008126 0.005013 -0.000114 0Rh 1f+1 0.006018 0.003924 -0.000264 -0.003959 -0.008261 -0.000058 0Rh 1f-1 0.052433 0.012605 0.000089 -0.015800 -0.011317 -0.000728 0Rh 1f+2 -0.028946 0.029598 -0.000050 -0.002872 0.020337 0.000030 0Rh 1f-2 0.015342 0.022157 -0.000067 -0.014659 0.006063 -0.000394 0Rh 1f+3 0.011110 -0.022020 -0.000438 0.006501 -0.012792 -0.000581 0Rh 1f-3 -0.001002 0.006509 -0.000145 -0.011281 0.001976 -0.000571 1Rh 1s -0.000028 0.000004 -0.000017 -0.000054 -0.000003 -0.000085 1Rh 2s 0.000660 -0.000120 -0.000040 -0.000152 -0.000147 0.000547 1Rh 3s 0.000219 -0.000045 -0.000130 -0.000418 -0.000104 -0.000197 1Rh 4s -0.004065 0.000728 0.000137 0.000682 0.000884 -0.003707 1Rh 5s 0.013184 -0.002268 -0.000556 -0.003806 -0.003320 0.011064 1Rh 6s -0.025492 0.003938 0.001404 0.015571 0.008771 -0.015061 1Rh 7s 0.110793 -0.006261 0.005755 -0.087778 -0.047813 0.037281 1Rh 8s -0.042176 -0.007239 0.007112 0.045872 0.016216 -0.039078 1Rh 1pz -0.044796 0.016768 -0.000073 0.008587 0.041189 -0.000774 1Rh 1px -0.007853 0.012411 -0.000296 -0.009276 0.013001 0.001492 1Rh 1py -0.023210 -0.035457 0.000115 0.039952 -0.008000 -0.000676 1Rh 2pz 0.190303 -0.071263 0.000309 -0.036452 -0.174851 0.003288 1Rh 2px 0.033354 -0.052729 0.001251 0.039379 -0.055190 -0.006322 1Rh 2py 0.098613 0.150651 -0.000483 -0.169572 0.033990 0.002891 1Rh 3pz -0.675022 0.253279 -0.001111 0.128658 0.617365 -0.011582 1Rh 3px -0.118015 0.187093 -0.004290 -0.139123 0.194774 0.021902 1Rh 3py -0.349898 -0.534663 0.001648 0.598166 -0.120524 -0.010742 1Rh 4pz 0.993323 -0.373498 0.001665 -0.188210 -0.904049 0.016694 1Rh 4px 0.171832 -0.275369 0.005936 0.204065 -0.284816 -0.030142 1Rh 4py 0.514455 0.786879 -0.002264 -0.874558 0.177373 0.017777 1Rh 5pz -0.639707 0.239281 -0.000903 0.123511 0.598052 -0.010715 1Rh 5px -0.104115 0.176886 -0.003580 -0.134793 0.187717 0.015893 1Rh 5py -0.327493 -0.504071 0.001332 0.576961 -0.116456 -0.017757 1Rh 6pz -0.261815 0.098382 -0.017172 0.067683 0.361536 0.023462 1Rh 6px -0.082910 0.075649 0.012736 -0.070159 0.113096 -0.009702 1Rh 6py -0.163252 -0.240853 -0.007194 0.378453 -0.048013 0.067841 1Rh 1dz2 -0.002691 -0.002053 -0.000015 0.000554 -0.001276 0.005144 1Rh 1dxz 0.002850 -0.002973 -0.000119 0.001072 0.002903 0.002461 1Rh 1dyz -0.000498 0.001677 0.000078 -0.000792 0.000962 -0.002403 1Rh 1dx2y2 0.000714 -0.003490 -0.000168 -0.001540 0.000523 0.003309 1Rh 1dxy 0.001893 0.002741 0.000037 0.003100 0.000014 0.000354 1Rh 2dz2 0.000547 0.000330 -0.000027 0.000279 0.001491 -0.000539 1Rh 2dxz -0.000732 0.000880 0.000066 -0.000376 -0.002526 -0.000463 1Rh 2dyz 0.000185 -0.001127 0.000046 0.000891 -0.000713 -0.000041 1Rh 2dx2y2 0.000046 0.000753 0.000032 0.000546 -0.001060 0.000310 1Rh 2dxy -0.000271 -0.000817 -0.000005 -0.003217 0.000055 0.000149 1Rh 3dz2 0.013301 0.010402 0.000211 -0.004777 -0.000291 -0.027828 1Rh 3dxz -0.013493 0.013172 0.000344 -0.004389 -0.003944 -0.012276 1Rh 3dyz 0.001947 -0.003829 -0.000704 0.000034 -0.001971 0.014573 1Rh 3dx2y2 -0.004525 0.016969 0.000863 0.006253 0.002502 -0.021312 1Rh 3dxy -0.010077 -0.012265 -0.000184 -0.001500 -0.000413 -0.002895 1Rh 4dz2 -0.038081 -0.027867 -0.000431 0.015061 0.007572 0.076064 1Rh 4dxz 0.039597 -0.035313 -0.000473 0.010779 0.000169 0.032809 1Rh 4dyz -0.004501 0.003594 0.002242 0.003753 0.002569 -0.041580 1Rh 4dx2y2 0.013805 -0.047584 -0.002728 -0.015313 -0.012003 0.061179 1Rh 4dxy 0.030402 0.034335 0.000423 -0.009595 0.001744 0.008884 1Rh 5dz2 0.086593 0.048700 -0.001254 -0.039298 -0.040237 -0.126495 1Rh 5dxz -0.088399 0.063765 -0.001242 -0.018524 0.033115 -0.050419 1Rh 5dyz 0.008581 0.037697 -0.006938 -0.025733 0.002959 0.075285 1Rh 5dx2y2 -0.038214 0.097482 0.006940 0.026761 0.043404 -0.117888 1Rh 5dxy -0.073902 -0.067781 -0.001393 0.064414 -0.004969 -0.022359 1Rh 1f0 -0.000475 -0.026892 0.000408 0.008115 -0.005012 -0.000266 1Rh 1f+1 -0.005966 -0.003852 -0.000276 0.003954 0.008261 0.000117 1Rh 1f-1 -0.052534 -0.012922 -0.000028 0.015805 0.011355 -0.000542 1Rh 1f+2 0.028888 -0.029602 0.000016 0.002852 -0.020382 -0.000418 1Rh 1f-2 -0.015284 -0.021800 -0.000093 0.014680 -0.006035 -0.000593 1Rh 1f+3 -0.011097 0.021855 -0.000442 -0.006509 0.012801 -0.000270 1Rh 1f-3 0.000876 -0.006751 -0.000151 0.011273 -0.001951 -0.000645 2C 1s 0.000311 0.000517 0.000134 -0.000398 -0.000683 -0.000048 2C 2s -0.000060 0.000337 0.000125 -0.000428 -0.000756 -0.000068 2C 3s 0.025945 0.017610 0.003382 -0.010154 -0.009504 0.001215 2C 4s -0.129464 -0.100245 -0.029073 0.049116 0.059804 0.003740 2C 5s 0.125638 -0.015224 -0.024341 0.149993 0.132142 0.061836 2C 1pz 0.001376 0.006024 0.002948 0.002996 -0.000772 -0.004382 2C 1px -0.007342 0.001146 -0.000999 -0.007226 -0.005366 0.001404 2C 1py -0.001806 -0.007640 -0.003573 -0.005665 0.001697 0.005562 2C 2pz -0.095611 -0.081170 -0.048239 -0.035543 0.011888 0.040969 2C 2px 0.156957 0.015791 0.032127 0.073301 0.018269 -0.039449 2C 2py -0.003027 0.048249 0.032938 0.052002 -0.019276 -0.053058 2C 3pz 0.012343 -0.013168 -0.041133 -0.003825 0.032362 0.019789 2C 3px 0.014013 0.014111 0.016149 0.049788 0.029614 0.005668 2C 3py 0.008291 -0.008429 0.044161 0.055093 -0.004064 -0.001227 2C 1dz2 -0.042543 0.002090 0.005237 0.022237 0.016601 -0.006092 2C 1dxz 0.070556 0.004985 -0.009603 -0.038320 -0.027578 0.009153 2C 1dyz -0.011297 -0.007808 -0.005938 -0.000228 0.008328 0.003477 2C 1dx2y2 -0.000334 -0.000954 -0.007387 -0.005447 0.006957 0.006400 2C 1dxy 0.050703 0.010083 0.012141 -0.012880 -0.035036 -0.009941 2C 2dz2 -0.100781 -0.011641 -0.000339 0.006370 0.005918 -0.002279 2C 2dxz 0.171361 0.037764 0.022256 -0.016699 -0.061401 -0.016267 2C 2dyz -0.035334 0.011315 0.029822 0.044154 -0.010513 -0.037098 2C 2dx2y2 -0.015355 0.048337 0.075461 0.089343 -0.021127 -0.072644 2C 2dxy 0.129367 -0.064765 -0.094388 -0.094785 0.043683 0.092143 2C 1f0 -0.093325 0.005637 0.015653 0.045043 0.029452 -0.013360 2C 1f+1 0.071156 0.000899 -0.007655 -0.029539 -0.024511 0.004390 2C 1f-1 -0.033417 -0.010992 -0.003907 0.007979 0.013051 0.000091 2C 1f+2 0.048602 0.006165 -0.002102 -0.018095 -0.018476 0.002166 2C 1f-2 0.106822 0.006124 -0.000576 -0.038729 -0.041864 0.004899 2C 1f+3 0.051888 0.020503 0.006417 -0.014443 -0.023792 -0.000720 2C 1f-3 -0.028490 -0.007684 0.001784 0.015001 0.013963 -0.002167 3C 1s 0.000147 -0.000930 0.000115 0.000600 -0.000369 0.000051 3C 2s 0.000074 -0.000518 0.000139 0.000712 -0.000417 0.000055 3C 3s 0.009409 -0.027149 -0.000395 0.003618 -0.003252 -0.000176 3C 4s -0.063041 0.136902 -0.005041 -0.026601 0.017245 -0.005094 3C 5s 0.024841 -0.049452 -0.005621 -0.094012 0.056371 -0.048618 3C 1pz -0.000462 0.004091 -0.001122 -0.004053 0.000802 -0.002002 3C 1px -0.004310 0.008420 -0.004133 0.001504 -0.008960 -0.006888 3C 1py -0.003334 0.003681 -0.002056 -0.000259 -0.003416 -0.003953 3C 2pz -0.021627 0.029183 -0.001440 0.027628 -0.013713 0.004083 3C 2px 0.076396 -0.145609 0.077111 0.026727 0.094067 0.097338 3C 2py 0.079295 -0.060222 0.030065 -0.004859 0.044429 0.040073 3C 3pz 0.009697 0.032971 0.017060 0.009685 0.003016 -0.005870 3C 3px 0.029817 -0.001381 0.054457 -0.011284 0.069470 0.014796 3C 3py 0.010241 0.012338 0.031897 0.027447 0.015793 0.018431 3C 1dz2 -0.007869 0.021031 -0.006953 -0.017650 0.006998 -0.006641 3C 1dxz 0.011985 -0.030500 0.010974 0.029065 -0.012134 0.010161 3C 1dyz 0.004081 -0.035051 -0.002270 0.016648 -0.020249 -0.002310 3C 1dx2y2 0.005915 -0.028371 0.000269 0.019504 -0.019190 0.000348 3C 1dxy 0.002165 0.054221 0.011513 -0.022871 0.042535 0.010322 3C 2dz2 0.029464 0.042694 0.039893 0.019157 0.047940 0.040725 3C 2dxz -0.089112 -0.093130 -0.118109 -0.039120 -0.153988 -0.121111 3C 2dyz 0.016256 -0.079696 -0.012271 0.008033 -0.034261 -0.010746 3C 2dx2y2 -0.008004 -0.070278 -0.025978 -0.020514 -0.027405 -0.024583 3C 2dxy -0.037703 0.136962 -0.035384 -0.055716 -0.000152 -0.042499 3C 1f0 -0.008366 0.014132 -0.006386 -0.007917 0.000219 -0.003352 3C 1f+1 0.005838 0.028898 0.006903 -0.012073 0.019490 0.003122 3C 1f-1 0.012865 -0.034516 0.005388 0.019727 -0.014185 0.004090 3C 1f+2 0.010845 -0.081259 0.000092 0.033008 -0.034232 -0.000409 3C 1f-2 -0.008962 0.035930 -0.001412 -0.020228 0.022435 0.000520 3C 1f+3 -0.005299 -0.068248 -0.012760 0.026430 -0.046275 -0.007503 3C 1f-3 0.003644 -0.086802 -0.011524 0.037885 -0.056831 -0.009193 4C 1s -0.000844 -0.000002 0.000292 0.001574 0.000490 -0.000068 4C 2s -0.001509 0.000475 0.000600 0.002892 0.000771 0.000517 4C 3s -0.033261 -0.035569 -0.003940 0.033309 0.025816 -0.026516 4C 4s 0.209220 0.142707 -0.005813 -0.265478 -0.132280 0.099805 4C 5s -0.027209 0.029796 -0.018561 -0.146533 -0.096056 0.004997 4C 1pz 0.022435 0.002684 0.000740 0.009625 0.011197 -0.001774 4C 1px -0.051264 0.000668 0.000070 -0.045420 -0.044456 -0.001711 4C 1py -0.006189 -0.003529 -0.000636 -0.011670 -0.009649 -0.001782 4C 2pz -0.137736 0.075904 -0.018895 -0.028928 0.020634 0.028111 4C 2px 0.425679 0.117861 -0.009556 -0.144978 -0.146399 -0.012764 4C 2py 0.078071 -0.160413 -0.012039 -0.060628 -0.047280 0.006989 4C 3pz 0.055567 -0.028189 -0.012939 0.107671 0.096814 0.052078 4C 3px -0.025519 0.001159 -0.006847 -0.212298 -0.231567 -0.022058 4C 3py 0.026913 0.023620 -0.039335 -0.035749 -0.011786 0.038298 4C 1dz2 0.064735 0.067684 0.046937 0.017257 -0.058558 -0.039320 4C 1dxz -0.116421 -0.040860 -0.062819 -0.002121 0.094276 0.052735 4C 1dyz 0.010055 -0.053847 -0.056251 -0.046469 0.037560 0.049678 4C 1dx2y2 0.001541 -0.024212 -0.070070 -0.065246 0.048936 0.062616 4C 1dxy -0.093574 0.076092 0.116920 0.117328 -0.050627 -0.104555 4C 2dz2 -0.196587 0.129998 0.144547 0.063321 -0.130740 -0.110947 4C 2dxz 0.353193 -0.069920 -0.180106 -0.061570 0.201685 0.133026 4C 2dyz 0.038265 -0.102144 -0.153829 -0.149966 0.088130 0.128195 4C 2dx2y2 0.052287 -0.096589 -0.217348 -0.188344 0.126439 0.186405 4C 2dxy 0.250336 0.244689 0.328591 0.279272 -0.187418 -0.253329 4C 1f0 0.220983 0.098011 0.113782 -0.035181 -0.211109 -0.079879 4C 1f+1 -0.228337 -0.151701 -0.111529 0.050195 0.215316 0.068193 4C 1f-1 0.083775 -0.036973 -0.074914 -0.102501 -0.003754 0.053208 4C 1f+2 -0.133134 -0.020169 -0.057036 0.018106 0.110396 0.045015 4C 1f-2 -0.292061 0.089958 0.084154 0.217633 0.125387 -0.064780 4C 1f+3 -0.226648 0.005363 0.142069 0.211028 0.025234 -0.104226 4C 1f-3 -0.029997 0.090515 0.040608 0.035369 -0.016211 -0.030651 5C 1s -0.000416 0.000530 -0.000164 0.000964 0.000619 -0.000275 5C 2s -0.000529 0.000604 -0.000359 0.001972 0.001343 -0.000881 5C 3s -0.021489 0.039823 0.006116 -0.001096 0.013105 0.016488 5C 4s 0.128586 -0.196705 -0.010751 -0.101714 -0.103105 -0.036394 5C 5s 0.044826 0.000382 0.025739 -0.002501 -0.054617 -0.012114 5C 1pz 0.005032 -0.012508 0.001971 -0.016434 0.010811 0.003678 5C 1px -0.006423 0.047447 -0.002589 0.044099 -0.037004 -0.005468 5C 1py -0.004716 0.013065 -0.002074 0.010663 -0.004258 -0.003300 5C 2pz 0.001508 0.338111 0.009024 -0.065198 0.042329 0.012344 5C 2px 0.046833 -0.319046 -0.010405 0.132736 -0.160567 -0.042342 5C 2py 0.044584 0.108687 0.011516 0.037608 0.024541 0.001694 5C 3pz 0.022922 -0.050166 -0.004734 -0.117251 0.063022 -0.022445 5C 3px 0.006514 0.020423 -0.013015 0.200275 -0.212288 -0.037589 5C 3py -0.053189 -0.012670 -0.024169 0.094482 -0.040581 0.041817 5C 1dz2 -0.048525 0.007950 -0.066881 -0.032854 -0.069038 -0.064634 5C 1dxz 0.080848 0.072939 0.110315 0.065334 0.121326 0.103610 5C 1dyz -0.013097 0.025507 -0.006635 -0.022895 0.017954 -0.008820 5C 1dx2y2 0.003217 0.081457 0.006276 -0.032903 0.030483 0.003451 5C 1dxy 0.090840 -0.089522 0.093236 0.110583 0.025922 0.093435 5C 2dz2 -0.160732 0.188719 -0.190586 -0.110374 -0.151121 -0.159179 5C 2dxz 0.271222 -0.099127 0.329137 0.194288 0.299491 0.289946 5C 2dyz -0.029059 -0.151004 -0.018562 -0.025987 0.012971 -0.011471 5C 2dx2y2 0.030813 -0.133078 0.011818 -0.027960 0.023232 0.000449 5C 2dxy 0.147564 0.317019 0.267869 0.251522 0.178220 0.230611 5C 1f0 -0.087413 -0.116047 -0.114293 -0.030251 -0.131286 -0.087047 5C 1f+1 0.072417 -0.058673 0.105474 0.068834 0.090023 0.085569 5C 1f-1 0.035179 0.043286 0.068148 -0.029736 0.129338 0.051889 5C 1f+2 0.021392 0.309913 0.055287 -0.123512 0.205132 0.037708 5C 1f-2 -0.048212 -0.132169 -0.079089 0.037283 -0.150045 -0.059875 5C 1f+3 -0.147377 0.220827 -0.137541 -0.249189 0.052658 -0.107816 5C 1f-3 -0.064365 0.135554 -0.036657 -0.182849 0.129489 -0.032332 6C 1s -0.000435 0.000547 0.000166 0.000964 0.000578 0.000297 6C 2s -0.000555 0.000600 0.000365 0.002007 0.001271 0.000922 6C 3s -0.023087 0.041392 -0.006316 -0.002725 0.013246 -0.016011 6C 4s 0.137248 -0.204689 0.011414 -0.096013 -0.100698 0.032904 6C 5s 0.043475 0.001038 -0.025261 0.000622 -0.053147 0.010532 6C 1pz -0.004948 0.012980 0.002012 0.016554 -0.011158 0.003783 6C 1px 0.005843 -0.048807 -0.002729 -0.044204 0.037750 -0.005551 6C 1py 0.004756 -0.013346 -0.002081 -0.010754 0.004511 -0.003411 6C 2pz -0.000334 -0.333954 0.009755 0.064789 -0.044258 0.011839 6C 2px -0.050941 0.310070 -0.010374 -0.133756 0.164244 -0.039001 6C 2py -0.044963 -0.109018 0.011736 -0.036706 -0.023714 0.001605 6C 3pz -0.023476 0.053442 -0.006120 0.116952 -0.063136 -0.022347 6C 3px -0.008456 -0.022848 -0.014003 -0.202160 0.213688 -0.032686 6C 3py 0.055309 0.009218 -0.022737 -0.093438 0.040973 0.040244 6C 1dz2 -0.048811 0.008177 0.066942 -0.033041 -0.069901 0.063690 6C 1dxz 0.080754 0.072440 -0.110311 0.065319 0.122199 -0.101700 6C 1dyz -0.013384 0.025159 0.006628 -0.022782 0.017443 0.009290 6C 1dx2y2 0.003259 0.080333 -0.006510 -0.032629 0.030507 -0.002965 6C 1dxy 0.091306 -0.088364 -0.092948 0.110258 0.027930 -0.093571 6C 2dz2 -0.162483 0.187835 0.190397 -0.111210 -0.153411 0.157713 6C 2dxz 0.272473 -0.097682 -0.328968 0.193450 0.303017 -0.286015 6C 2dyz -0.029761 -0.148166 0.018210 -0.026574 0.012503 0.011842 6C 2dx2y2 0.031594 -0.131295 -0.012391 -0.026791 0.023574 -0.000998 6C 2dxy 0.145545 0.314292 -0.267060 0.251449 0.180595 -0.227221 6C 1f0 0.087243 0.114297 -0.114415 0.030423 0.132392 -0.085028 6C 1f+1 -0.072292 0.058579 0.105195 -0.068729 -0.090842 0.084029 6C 1f-1 -0.034421 -0.041072 0.068132 0.029583 -0.129525 0.049630 6C 1f+2 -0.019550 -0.304157 0.055744 0.123212 -0.204886 0.033926 6C 1f-2 0.047143 0.129395 -0.079312 -0.037342 0.150232 -0.057465 6C 1f+3 0.149830 -0.215908 -0.137100 0.249180 -0.050349 -0.109790 6C 1f-3 0.065849 -0.130098 -0.036277 0.181952 -0.128300 -0.034987 7C 1s -0.000857 0.000048 -0.000287 0.001569 0.000523 0.000080 7C 2s -0.001534 0.000545 -0.000590 0.002898 0.000864 -0.000484 7C 3s -0.033220 -0.034130 0.003479 0.033050 0.024146 0.026650 7C 4s 0.209605 0.134131 0.007718 -0.264118 -0.127573 -0.101648 7C 5s -0.028690 0.027046 0.018843 -0.146414 -0.098306 -0.006296 7C 1pz -0.022590 -0.003124 0.000656 -0.009407 -0.011178 -0.001726 7C 1px 0.051636 0.001092 0.000099 0.044988 0.044849 -0.001308 7C 1py 0.006225 0.003944 -0.000703 0.011661 0.009770 -0.001631 7C 2pz 0.135889 -0.076846 -0.017461 0.029375 -0.020339 0.026862 7C 2px -0.426437 -0.107334 -0.010202 0.142930 0.149712 -0.010367 7C 2py -0.075720 0.162294 -0.011623 0.060052 0.048778 0.007201 7C 3pz -0.055868 0.029259 -0.013090 -0.108944 -0.099732 0.048647 7C 3px 0.026515 0.002939 -0.005411 0.211792 0.233549 -0.019269 7C 3py -0.026539 -0.021593 -0.039522 0.035499 0.010549 0.037356 7C 1dz2 0.064815 0.067500 -0.046826 0.017254 -0.058776 0.038405 7C 1dxz -0.115998 -0.040229 0.062488 -0.002091 0.094654 -0.051140 7C 1dyz 0.009978 -0.053643 0.056136 -0.046700 0.038398 -0.048926 7C 1dx2y2 0.001902 -0.024556 0.069860 -0.065354 0.049682 -0.061683 7C 1dxy -0.093481 0.076329 -0.116916 0.118107 -0.052809 0.103425 7C 2dz2 -0.195060 0.130597 -0.143625 0.063345 -0.131537 0.107824 7C 2dxz 0.352663 -0.071607 0.180345 -0.061899 0.204017 -0.130180 7C 2dyz 0.037030 -0.102392 0.154083 -0.150249 0.091086 -0.126647 7C 2dx2y2 0.051992 -0.098038 0.216001 -0.188126 0.128754 -0.182662 7C 2dxy 0.252093 0.242746 -0.327766 0.280251 -0.192194 0.249442 7C 1f0 -0.219645 -0.094766 0.113060 0.034695 0.211297 -0.076532 7C 1f+1 0.227801 0.148287 -0.111185 -0.049624 -0.215617 0.065149 7C 1f-1 -0.083711 0.037794 -0.074612 0.102791 0.002998 0.052725 7C 1f+2 0.132006 0.018386 -0.056297 -0.018117 -0.110491 0.042908 7C 1f-2 0.290462 -0.093367 0.084268 -0.218036 -0.123671 -0.065731 7C 1f+3 0.227456 -0.008754 0.142484 -0.212226 -0.023182 -0.104361 7C 1f-3 0.029520 -0.090941 0.041155 -0.035824 0.017116 -0.030640 8C 1s 0.000162 -0.000913 -0.000112 0.000615 -0.000375 -0.000061 8C 2s 0.000084 -0.000499 -0.000137 0.000731 -0.000425 -0.000065 8C 3s 0.010079 -0.027368 0.000430 0.003804 -0.003322 -0.000018 8C 4s -0.067057 0.138259 0.004706 -0.027669 0.017392 0.006187 8C 5s 0.028453 -0.054790 0.007040 -0.094747 0.056655 0.047208 8C 1pz 0.000551 -0.004065 -0.001190 0.004148 -0.000711 -0.002158 8C 1px 0.004297 -0.008271 -0.004079 -0.001575 0.009034 -0.006674 8C 1py 0.003394 -0.003641 -0.002075 0.000258 0.003494 -0.003940 8C 2pz 0.021241 -0.030370 -0.000315 -0.028565 0.013279 0.005460 8C 2px -0.075099 0.143214 0.075867 -0.025330 -0.094616 0.094698 8C 2py -0.081300 0.061997 0.029918 0.004873 -0.045643 0.039968 8C 3pz -0.010370 -0.032318 0.018003 -0.010457 -0.003765 -0.005296 8C 3px -0.030049 0.001510 0.053552 0.012035 -0.069290 0.013587 8C 3py -0.009977 -0.013196 0.032664 -0.027679 -0.016229 0.017833 8C 1dz2 -0.008064 0.020467 0.006965 -0.017576 0.006739 0.006874 8C 1dxz 0.012269 -0.029563 -0.010997 0.029007 -0.011758 -0.010551 8C 1dyz 0.004423 -0.034565 0.002301 0.016714 -0.020201 0.001884 8C 1dx2y2 0.006215 -0.027810 -0.000265 0.019498 -0.018968 -0.000821 8C 1dxy 0.001820 0.053168 -0.011550 -0.022842 0.042515 -0.009495 8C 2dz2 0.028607 0.041350 -0.038937 0.019093 0.046940 -0.039071 8C 2dxz -0.088088 -0.090451 0.117396 -0.038689 -0.154627 0.118009 8C 2dyz 0.017983 -0.079160 0.011946 0.008619 -0.033880 0.009441 8C 2dx2y2 -0.007279 -0.069361 0.025795 -0.021035 -0.026651 0.023862 8C 2dxy -0.038909 0.134176 0.035584 -0.056115 -0.000975 0.043112 8C 1f0 0.008487 -0.014157 -0.006348 0.008149 -0.000431 -0.003379 8C 1f+1 -0.005498 -0.028213 0.006867 0.012077 -0.019401 0.002706 8C 1f-1 -0.013299 0.033972 0.005455 -0.019824 0.013936 0.004539 8C 1f+2 -0.011586 0.079715 0.000092 -0.033058 0.033941 0.000445 8C 1f-2 0.009173 -0.034830 -0.001366 0.020025 -0.022161 0.000091 8C 1f+3 0.004769 0.066392 -0.012609 -0.026313 0.045713 -0.006395 8C 1f-3 -0.004539 0.085031 -0.011503 -0.037949 0.056601 -0.007960 9C 1s 0.000315 0.000472 -0.000123 -0.000415 -0.000684 0.000033 9C 2s -0.000065 0.000296 -0.000116 -0.000445 -0.000761 0.000053 9C 3s 0.026322 0.016991 -0.003083 -0.010291 -0.009111 -0.001582 9C 4s -0.130787 -0.096428 0.026779 0.050244 0.057381 -0.001029 9C 5s 0.127789 -0.015826 0.023708 0.152458 0.137283 -0.057969 9C 1pz -0.001366 -0.006080 0.002917 -0.002999 0.000823 -0.004341 9C 1px 0.007336 -0.001312 -0.000811 0.007018 0.005513 0.001179 9C 1py 0.001828 0.007591 -0.003624 0.005732 -0.001811 0.005607 9C 2pz 0.095244 0.081164 -0.046354 0.035259 -0.010282 0.039399 9C 2px -0.157147 -0.012746 0.028461 -0.069788 -0.020302 -0.035352 9C 2py 0.003082 -0.047941 0.033727 -0.051864 0.021442 -0.053489 9C 3pz -0.012359 0.012990 -0.040729 0.003493 -0.033028 0.018575 9C 3px -0.014198 -0.012928 0.012821 -0.047753 -0.032001 0.005906 9C 3py -0.008702 0.008122 0.044532 -0.055881 0.003815 -0.001385 9C 1dz2 -0.042305 0.002521 -0.005317 0.022228 0.016301 0.006261 9C 1dxz 0.070507 0.004175 0.009673 -0.038467 -0.027352 -0.009431 9C 1dyz -0.011383 -0.007623 0.005892 -0.000255 0.008335 -0.003369 9C 1dx2y2 -0.000376 -0.000825 0.007417 -0.005474 0.007168 -0.006348 9C 1dxy 0.050421 0.009516 -0.012087 -0.012751 -0.035019 0.009509 9C 2dz2 -0.100216 -0.011390 0.000167 0.006212 0.005339 0.002286 9C 2dxz 0.171366 0.037143 -0.023991 -0.016024 -0.063529 0.017275 9C 2dyz -0.035161 0.011155 -0.029383 0.043265 -0.011456 0.036195 9C 2dx2y2 -0.015487 0.049286 -0.074735 0.089045 -0.021762 0.071365 9C 2dxy 0.128283 -0.064749 0.092567 -0.092717 0.045349 -0.089386 9C 1f0 0.092291 -0.006868 0.015651 -0.044732 -0.028682 -0.013471 9C 1f+1 -0.070007 -0.000187 -0.007525 0.028976 0.023922 0.004416 9C 1f-1 0.033800 0.010469 -0.003695 -0.008239 -0.012963 -0.000216 9C 1f+2 -0.048285 -0.005586 -0.001947 0.017926 0.018380 0.002155 9C 1f-2 -0.107045 -0.005313 -0.000544 0.038955 0.042026 0.005172 9C 1f+3 -0.052956 -0.019834 0.006353 0.015042 0.024282 -0.000352 9C 1f-3 0.028416 0.007101 0.001786 -0.014873 -0.013743 -0.002254 10H 1s 0.048085 0.001978 -0.010824 -0.028764 -0.014892 0.012082 10H 2s 0.043672 -0.015175 -0.054835 -0.116587 -0.042927 0.059370 10H 3s -0.004878 -0.007984 -0.007861 -0.016208 -0.007287 -0.014423 10H 1pz 0.012913 -0.005671 -0.018567 -0.033132 -0.006827 0.019003 10H 1px -0.031863 -0.002331 0.008055 0.027239 0.018447 -0.009498 10H 1py 0.002681 0.011836 0.015368 0.004326 -0.020615 -0.013618 11H 1s -0.002481 -0.018719 -0.019373 -0.005715 0.024013 0.016966 11H 2s -0.010273 -0.030140 -0.020912 -0.029018 0.000611 0.020285 11H 3s -0.017761 -0.001101 -0.027119 -0.027777 0.004014 -0.002479 11H 1pz 0.001535 -0.008832 -0.003406 -0.006018 -0.001177 0.004346 11H 1px -0.008709 0.003183 0.010306 0.011658 -0.005249 -0.010744 11H 1py 0.005674 0.012431 0.013247 0.009311 -0.009752 -0.010967 12H 1s -0.016582 0.026687 0.028699 0.038164 -0.003990 -0.025933 12H 2s -0.030836 0.087168 0.086694 0.075376 -0.056026 -0.095515 12H 3s -0.025378 -0.000875 0.037664 0.005147 -0.029392 0.007789 12H 1pz 0.013077 -0.006779 -0.010136 -0.011008 0.003054 0.008639 12H 1px -0.006397 0.005496 0.004560 0.008497 0.001783 -0.006527 12H 1py -0.014654 0.024376 0.016535 0.019175 -0.004612 -0.017943 13H 1s -0.009628 -0.044558 -0.016833 0.010685 -0.036951 -0.015917 13H 2s -0.066645 -0.057370 -0.081573 0.014008 -0.138699 -0.087986 13H 3s 0.000618 0.007442 -0.012346 0.001185 -0.012632 0.012171 13H 1pz 0.001503 -0.023290 -0.000308 0.022565 -0.020976 -0.001254 13H 1px 0.017278 0.028046 0.021355 -0.001883 0.034679 0.021769 13H 1py 0.014229 0.009272 0.017620 -0.000378 0.027879 0.019362 14H 1s 0.021427 0.005209 0.027846 0.005142 0.040389 0.027799 14H 2s 0.087835 -0.008323 0.100020 0.063504 0.102485 0.110482 14H 3s 0.006228 0.030721 0.036011 0.018835 0.011297 -0.008371 14H 1pz 0.007047 -0.004452 0.008419 0.002048 0.012236 0.009358 14H 1px 0.017384 0.001448 0.020324 0.006172 0.028066 0.022672 14H 1py 0.006023 0.010272 0.007235 0.002789 0.008550 0.006024 15H 1s -0.012992 0.002906 -0.013336 -0.016527 -0.004784 -0.012940 15H 2s -0.022220 0.001510 -0.007321 0.005695 -0.017557 -0.015022 15H 3s -0.005992 0.001675 -0.021752 -0.005863 -0.016981 0.002568 15H 1pz 0.006706 -0.003810 0.001969 0.001907 -0.000406 0.001737 15H 1px 0.013375 0.002668 0.017756 0.011178 0.018218 0.018338 15H 1py 0.003939 -0.001885 0.001465 -0.001435 0.004166 0.003506 16H 1s 0.009373 0.000178 -0.008543 -0.117407 -0.048300 -0.061902 16H 2s 0.001416 -0.011475 -0.010716 -0.110936 -0.024452 -0.124275 16H 3s 0.017242 -0.001695 0.002357 0.000240 -0.012666 0.003189 16H 1pz -0.004498 -0.005294 -0.008998 -0.094821 -0.026234 -0.078254 16H 1px -0.002031 0.000223 -0.000337 0.010294 0.000029 0.007324 16H 1py -0.000757 0.000421 -0.003245 -0.056013 -0.021056 -0.030295 17H 1s 0.013166 -0.003762 -0.002981 -0.120815 -0.014911 -0.076517 17H 2s 0.012943 -0.017602 -0.007880 -0.120977 -0.033958 -0.151686 17H 3s -0.006452 0.012514 0.001159 0.001997 0.016291 0.004155 17H 1pz -0.009320 0.012832 0.000817 0.056719 0.012794 0.058846 17H 1px -0.007823 0.008905 0.003411 0.068488 0.019870 0.064936 17H 1py 0.007652 -0.006131 -0.003217 -0.074505 -0.015167 -0.051612 18H 1s 0.014645 -0.002989 0.002731 -0.118520 -0.023333 0.076554 18H 2s 0.012697 -0.017997 0.008093 -0.118373 -0.042581 0.152485 18H 3s -0.006751 0.011520 -0.001166 0.002236 0.017354 -0.003604 18H 1pz 0.010205 -0.012614 0.000964 -0.057537 -0.017568 0.060503 18H 1px 0.008103 -0.009127 0.003386 -0.067132 -0.024947 0.065126 18H 1py -0.008117 0.005759 -0.002854 0.071365 0.020006 -0.050004 19H 1s 0.009494 -0.001342 0.008078 -0.113501 -0.056197 0.058939 19H 2s 0.001388 -0.009789 0.010895 -0.106779 -0.032954 0.118800 19H 3s 0.017542 -0.000658 -0.002151 -0.000737 -0.011626 -0.003331 19H 1pz 0.004320 0.005441 -0.008682 0.090193 0.032702 -0.074228 19H 1px 0.002182 0.000241 -0.000232 -0.010867 -0.001203 0.007513 19H 1py 0.000719 -0.000120 -0.003082 0.055797 0.025880 -0.030167 20H 1s -0.013446 0.002910 0.013655 -0.017014 -0.005067 0.013260 20H 2s -0.023086 0.002253 0.007887 0.005417 -0.018379 0.015479 20H 3s -0.006360 0.002425 0.022368 -0.006190 -0.017504 -0.002652 20H 1pz -0.007128 0.003970 0.002218 -0.002137 0.000178 0.002043 20H 1px -0.013203 -0.002554 0.017617 -0.011089 -0.018320 0.017911 20H 1py -0.003931 0.002088 0.001472 0.001461 -0.004208 0.003433 21H 1s 0.021370 0.004575 -0.027823 0.005242 0.040556 -0.027179 21H 2s 0.087215 -0.008354 -0.098864 0.063440 0.102132 -0.108023 21H 3s 0.006204 0.031275 -0.036201 0.019205 0.011151 0.008475 21H 1pz -0.007305 0.004632 0.008600 -0.002374 -0.012341 0.009398 21H 1px -0.016959 -0.001227 0.019796 -0.005999 -0.027611 0.021721 21H 1py -0.006103 -0.010063 0.007427 -0.002881 -0.008786 0.006052 22H 1s -0.008890 -0.043803 0.016490 0.010992 -0.036750 0.014865 22H 2s -0.064139 -0.054925 0.079917 0.016158 -0.139010 0.083875 22H 3s -0.000187 0.007459 0.011928 0.001485 -0.012148 -0.012046 22H 1pz -0.002318 0.022240 0.000207 -0.022988 0.020471 -0.000250 22H 1px -0.016689 -0.027502 0.021074 0.002289 -0.034846 0.020886 22H 1py -0.014156 -0.009122 0.017679 0.000621 -0.028408 0.018950 23H 1s -0.015768 0.026774 -0.028553 0.037954 -0.004611 0.025591 23H 2s -0.030045 0.085201 -0.084055 0.072130 -0.057053 0.091895 23H 3s -0.025339 -0.000766 -0.037477 0.005113 -0.029802 -0.008001 23H 1pz -0.012942 0.006931 -0.010227 0.011142 -0.003289 0.008640 23H 1px 0.006059 -0.004624 0.003486 -0.007390 -0.002244 -0.005434 23H 1py 0.014129 -0.024143 0.016162 -0.018452 0.005076 -0.017425 24H 1s -0.002680 -0.019093 0.019863 -0.005931 0.024979 -0.017073 24H 2s -0.010549 -0.032441 0.022892 -0.030715 0.002548 -0.022422 24H 3s -0.018459 -0.001414 0.028099 -0.028585 0.004108 0.002784 24H 1pz -0.001368 0.009216 -0.003546 0.006060 0.000878 0.004514 24H 1px 0.008756 -0.002482 0.009545 -0.011123 0.004820 -0.009839 24H 1py -0.005891 -0.012668 0.013404 -0.009416 0.010146 -0.010982 25H 1s 0.048223 0.001656 0.010124 -0.028249 -0.015113 -0.011509 25H 2s 0.043434 -0.015317 0.050898 -0.114090 -0.045416 -0.055690 25H 3s -0.005265 -0.007217 0.006978 -0.016014 -0.008382 0.013773 25H 1pz -0.013235 0.006095 -0.018234 0.033177 0.007071 0.018627 25H 1px 0.031740 0.002166 0.006966 -0.026451 -0.019089 -0.008593 25H 1py -0.002218 -0.011641 0.015710 -0.004897 0.020898 -0.013699 26O 1s 0.000250 0.000090 0.000087 0.000557 0.000295 -0.000100 26O 2s 0.000095 0.000195 0.000388 0.001873 0.000819 -0.000393 26O 3s 0.047790 0.003680 -0.006580 -0.033573 -0.019054 0.008616 26O 4s -0.439973 -0.031037 0.027002 0.098491 0.068466 -0.045218 26O 5s 0.044428 -0.057786 0.015730 0.168960 0.087109 0.021998 26O 1pz -0.031299 -0.014081 -0.025676 0.002325 0.044292 0.019754 26O 1px 0.010431 -0.007252 -0.014621 -0.003949 0.012046 0.014998 26O 1py -0.021971 0.015263 0.044202 0.051938 -0.014241 -0.035505 26O 2pz 0.151698 0.052392 0.102841 -0.016117 -0.190137 -0.084243 26O 2px 0.103291 0.041553 0.053048 0.024692 -0.035009 -0.047884 26O 2py 0.156468 -0.035368 -0.182094 -0.217797 0.064372 0.163745 26O 3pz 0.066266 0.067499 0.093900 -0.105874 -0.234416 -0.020842 26O 3px 0.145986 0.074353 0.045876 -0.125194 -0.166163 0.002411 26O 3py 0.107014 -0.086852 -0.158436 -0.230981 -0.104297 0.043825 26O 1dz2 -0.175963 -0.076187 0.044660 0.173503 0.026397 -0.146402 26O 1dxz -0.101280 0.014579 0.189530 0.147983 -0.164666 -0.201329 26O 1dyz -0.286844 0.043584 0.048182 0.055182 0.060446 0.024332 26O 1dx2y2 0.077202 0.031197 0.231076 0.130258 -0.264322 -0.261231 26O 1dxy -0.036961 -0.080287 -0.231211 -0.240582 0.082012 0.160110 26O 2dz2 0.127683 0.064151 -0.049222 -0.144268 -0.001319 0.133061 26O 2dxz -0.075886 -0.047874 -0.226736 -0.074867 0.299519 0.221087 26O 2dyz 0.158833 -0.052803 -0.059066 -0.010071 0.019731 -0.006101 26O 2dx2y2 0.021518 -0.041726 -0.279606 -0.219019 0.225595 0.288616 26O 2dxy -0.044905 0.080241 0.288382 0.323808 -0.087686 -0.212144 26O 1f0 -0.114963 -0.026809 -0.082949 0.005065 0.153581 0.078726 26O 1f+1 0.102486 0.001486 0.004688 -0.041252 -0.055474 0.003918 26O 1f-1 0.041238 0.014604 0.058285 0.035654 -0.050804 -0.044620 26O 1f+2 0.081289 0.029638 0.073801 0.001183 -0.099816 -0.046098 26O 1f-2 0.129333 0.038202 0.043736 -0.067220 -0.133776 -0.029828 26O 1f+3 0.164378 -0.030904 -0.185047 -0.212980 0.043034 0.147940 26O 1f-3 0.032182 0.029386 0.079678 0.083310 -0.041284 -0.063586 27O 1s 0.000114 -0.000307 0.000121 0.000125 0.000448 0.000212 27O 2s 0.000265 -0.000295 0.000435 0.000597 0.001378 0.000747 27O 3s 0.002475 -0.039623 -0.006799 -0.000648 -0.028160 -0.011623 27O 4s -0.030142 0.381644 0.025332 -0.035980 0.116806 0.035074 27O 5s -0.075308 -0.039551 -0.002648 0.066727 0.060535 0.053330 27O 1pz 0.037791 0.041515 0.042108 0.011037 0.051815 0.036309 27O 1px 0.007028 0.001337 0.010265 0.009740 0.013349 0.009771 27O 1py 0.031177 -0.009303 0.028780 0.045495 -0.000484 0.025106 27O 2pz -0.144032 -0.172638 -0.170800 -0.042991 -0.220666 -0.158391 27O 2px -0.006746 -0.149112 -0.047099 -0.067687 -0.052624 -0.054818 27O 2py -0.125889 0.070210 -0.115108 -0.186592 0.006627 -0.105941 27O 3pz -0.133482 -0.054408 -0.149738 0.061381 -0.181274 -0.047761 27O 3px 0.000658 -0.153577 -0.031122 0.133190 -0.188418 -0.041728 27O 3py -0.080194 0.050538 -0.113017 -0.278334 0.119498 -0.039854 27O 1dz2 0.069378 -0.048330 0.025070 -0.061473 0.007242 -0.095321 27O 1dxz -0.249386 -0.106179 -0.289793 -0.223913 -0.232869 -0.291403 27O 1dyz 0.055984 -0.149694 0.072387 0.167555 -0.000156 0.127212 27O 1dx2y2 -0.044514 -0.216270 -0.107935 0.030176 -0.250146 -0.168885 27O 1dxy -0.155880 -0.263196 -0.199647 -0.144900 -0.156385 -0.163349 27O 2dz2 -0.061426 0.023715 -0.034596 0.043533 -0.029664 0.064826 27O 2dxz 0.284742 0.249760 0.355489 0.178721 0.370818 0.339725 27O 2dyz -0.067295 0.095618 -0.087855 -0.149802 -0.030925 -0.129945 27O 2dx2y2 0.073430 0.168493 0.132150 0.049458 0.206498 0.181745 27O 2dxy 0.209319 0.125848 0.241035 0.279234 0.081714 0.199412 27O 1f0 0.081169 0.170418 0.116505 0.010917 0.166417 0.100315 27O 1f+1 0.033922 -0.023602 0.037348 0.027806 0.036196 0.037917 27O 1f-1 0.037328 -0.008091 0.013555 0.032379 -0.035186 -0.006218 27O 1f+2 -0.102932 -0.163250 -0.131983 -0.021288 -0.171381 -0.109364 27O 1f-2 0.053400 0.078406 0.064440 0.000612 0.091124 0.048079 27O 1f+3 0.091566 -0.081028 0.085499 0.148815 -0.020985 0.072018 27O 1f-3 0.102680 -0.047451 0.108638 0.182097 -0.017011 0.098538 28O 1s -0.000749 -0.000002 0.000031 0.000386 0.000179 -0.000076 28O 2s -0.001764 -0.000007 0.000095 0.001451 0.000751 -0.000335 28O 3s -0.022869 -0.001224 -0.000492 -0.015269 -0.005210 0.006983 28O 4s 0.392377 0.025747 -0.003505 0.013784 -0.004738 -0.022302 28O 5s -0.222865 -0.038890 0.022333 0.099641 0.023837 -0.066915 28O 1pz 0.017093 0.033264 0.026998 0.005267 -0.037080 -0.020791 28O 1px 0.029565 0.021992 0.016107 -0.005605 -0.027344 -0.012959 28O 1py 0.027484 -0.046462 -0.043067 -0.050384 0.010883 0.035207 28O 2pz -0.160301 -0.134779 -0.109172 -0.049029 0.132286 0.101893 28O 2px -0.017792 -0.090961 -0.067472 0.056468 0.147316 0.044555 28O 2py -0.124936 0.188309 0.175686 0.205153 -0.049657 -0.151992 28O 3pz -0.178060 -0.110208 -0.108638 0.172975 0.310982 0.055088 28O 3px 0.065478 -0.042917 -0.057231 -0.022043 0.010624 -0.007512 28O 3py -0.107947 0.080400 0.158785 0.224242 0.072580 -0.042345 28O 1dz2 0.192423 -0.221897 -0.223718 -0.218659 0.167615 0.281438 28O 1dxz 0.062351 0.096639 0.073603 -0.078000 -0.146913 0.006964 28O 1dyz 0.301364 0.230311 0.178589 0.081136 -0.211084 -0.184387 28O 1dx2y2 -0.087961 0.056994 0.061694 0.060627 0.047294 0.031534 28O 1dxy 0.091796 -0.262012 -0.252397 -0.242599 0.113825 0.195627 28O 2dz2 -0.024610 0.288454 0.268485 0.157954 -0.289461 -0.297995 28O 2dxz -0.070492 -0.106211 -0.090572 0.043263 0.152547 0.022950 28O 2dyz -0.160107 -0.255079 -0.218234 -0.168465 0.165118 0.208464 28O 2dx2y2 -0.033695 -0.084870 -0.077833 0.001422 0.056401 -0.010699 28O 2dxy -0.169681 0.307830 0.310002 0.329116 -0.103947 -0.241754 28O 1f0 -0.117497 -0.104364 -0.061256 0.026890 0.105211 0.032630 28O 1f+1 0.108245 0.155969 0.136164 0.019329 -0.193509 -0.109878 28O 1f-1 -0.082003 0.024841 0.033718 0.082174 0.038962 -0.031530 28O 1f+2 0.136939 -0.007221 -0.004686 -0.047201 -0.057668 -0.005421 28O 1f-2 0.097431 -0.150235 -0.144023 -0.172108 0.015619 0.109149 28O 1f+3 0.133215 0.027965 0.012265 -0.057373 -0.075421 -0.004994 28O 1f-3 0.076132 -0.123373 -0.128198 -0.129522 0.051945 0.104288 29O 1s 0.000036 0.000181 0.000228 0.003234 0.000902 0.001944 29O 2s -0.000085 0.000629 0.000747 0.011270 0.003112 0.007070 29O 3s 0.003184 -0.010790 -0.010679 -0.167673 -0.045979 -0.113874 29O 4s -0.002153 0.029264 0.024441 0.384866 0.106696 0.268693 29O 5s -0.032400 0.001517 -0.001050 0.011231 -0.005276 0.083997 29O 1pz 0.002436 -0.001723 0.001344 0.009711 0.006046 0.004456 29O 1px 0.004236 -0.002094 -0.000440 -0.022231 -0.005067 -0.015951 29O 1py -0.001445 0.003104 0.001606 0.027322 0.006969 0.019834 29O 2pz -0.016876 0.008161 -0.008162 -0.048278 -0.024927 -0.024725 29O 2px -0.016538 0.014173 0.003741 0.109758 0.025796 0.090358 29O 2py 0.008084 -0.017003 -0.009007 -0.154220 -0.039893 -0.121766 29O 3pz 0.011309 -0.006966 0.001636 -0.008323 0.005075 -0.007104 29O 3px 0.006528 -0.005332 0.002296 0.031273 0.009749 0.027225 29O 3py 0.002646 -0.004868 -0.000898 0.008818 -0.000820 -0.046070 29O 1dz2 0.012044 0.014662 -0.004786 -0.080048 -0.037635 -0.021178 29O 1dxz 0.020610 0.006110 0.000019 -0.065617 0.001562 -0.033446 29O 1dyz 0.013195 -0.011639 -0.000476 -0.006792 -0.011986 -0.004382 29O 1dx2y2 -0.007876 0.003131 -0.000587 0.021245 0.013635 0.036710 29O 1dxy -0.000035 0.003613 0.001238 0.054648 0.005321 0.032002 29O 2dz2 -0.009282 -0.010786 0.008613 0.123687 0.050777 0.056424 29O 2dxz -0.022538 -0.000076 0.000933 0.096487 0.005842 0.062906 29O 2dyz -0.005274 0.006622 0.003074 0.011060 0.015957 0.003121 29O 2dx2y2 0.005627 -0.002550 -0.000380 -0.023952 -0.014196 -0.036976 29O 2dxy 0.005324 -0.008837 -0.002853 -0.093464 -0.014990 -0.068439 29O 1f0 0.004965 -0.002475 -0.003645 -0.077957 -0.021687 -0.049921 29O 1f+1 -0.003053 0.001923 0.002642 0.030996 0.009020 0.020392 29O 1f-1 0.007074 0.000461 -0.006846 -0.091667 -0.030745 -0.054194 29O 1f+2 0.001662 0.001788 0.002590 0.026522 0.007539 0.018282 29O 1f-2 0.008987 -0.004323 -0.000810 -0.063162 -0.007484 -0.045400 29O 1f+3 -0.000383 0.002410 0.001185 0.017381 0.002079 0.015130 29O 1f-3 -0.004599 -0.000776 0.000422 0.025419 0.001766 0.016297 30O 1s -0.000078 0.000465 0.000038 0.000303 0.000265 -0.000112 30O 2s -0.000331 0.001011 -0.000039 0.000820 0.000819 -0.000494 30O 3s 0.000590 0.023564 0.001594 -0.015998 -0.000901 0.005975 30O 4s 0.043632 -0.335472 -0.003082 0.043095 -0.044191 -0.001749 30O 5s -0.098565 0.189094 -0.025146 0.115502 0.042125 -0.038200 30O 1pz -0.036143 0.013035 -0.041995 -0.017254 -0.042565 -0.038638 30O 1px -0.000032 -0.023601 -0.006420 0.005942 -0.027772 -0.002811 30O 1py -0.026312 0.030738 -0.027353 -0.045385 -0.003286 -0.024070 30O 2pz 0.131513 -0.005964 0.170272 0.085798 0.168128 0.166143 30O 2px 0.005176 0.015607 0.025320 -0.049088 0.128328 0.016862 30O 2py 0.104362 -0.190312 0.110946 0.179263 0.022863 0.108244 30O 3pz 0.095881 0.083904 0.157648 -0.096984 0.227502 0.041854 30O 3px -0.001731 -0.025726 0.019538 0.044485 0.036547 -0.001717 30O 3py 0.117705 -0.147044 0.114508 0.291864 -0.161778 0.038943 30O 1dz2 0.137129 -0.124713 0.253077 0.230146 0.257403 0.329042 30O 1dxz -0.151477 0.010627 -0.183481 -0.011470 -0.194055 -0.097973 30O 1dyz -0.055456 0.286531 -0.049733 -0.063895 -0.024019 -0.113294 30O 1dx2y2 0.007338 0.084955 0.072369 0.042198 0.129172 0.145389 30O 1dxy -0.166630 0.228617 -0.170522 -0.241224 -0.006202 -0.126969 30O 2dz2 -0.175064 0.110115 -0.307958 -0.226558 -0.329776 -0.359270 30O 2dxz 0.183796 -0.064395 0.227385 0.078089 0.198775 0.149530 30O 2dyz 0.051670 -0.174240 0.062647 -0.004880 0.098470 0.114521 30O 2dx2y2 -0.047646 0.086885 -0.085892 -0.171268 -0.006169 -0.146554 30O 2dxy 0.184480 -0.240137 0.207888 0.272883 0.045080 0.162231 30O 1f0 0.008973 0.005836 0.022624 0.027117 0.018693 0.014958 30O 1f+1 -0.110825 0.035859 -0.166456 -0.091112 -0.166741 -0.149668 30O 1f-1 -0.082561 0.027766 -0.098343 -0.019165 -0.106953 -0.069481 30O 1f+2 0.080691 -0.188041 0.067437 0.163876 -0.069880 0.058335 30O 1f-2 0.019178 -0.028788 0.031568 -0.018162 0.054738 0.036580 30O 1f+3 0.074262 -0.163369 0.086333 0.166884 -0.023848 0.081525 30O 1f-3 -0.023305 -0.082074 -0.055562 0.023994 -0.121795 -0.049729 31O 1s -0.000067 0.000463 -0.000037 0.000302 0.000241 0.000115 31O 2s -0.000300 0.001007 0.000039 0.000817 0.000734 0.000501 31O 3s 0.000137 0.023093 -0.001565 -0.015795 0.000169 -0.005762 31O 4s 0.046319 -0.331292 0.002922 0.041655 -0.045452 -0.001011 31O 5s -0.102542 0.194136 0.023948 0.115616 0.037010 0.043404 31O 1pz 0.036106 -0.013545 -0.041923 0.017254 0.043183 -0.038171 31O 1px -0.000146 0.023530 -0.006490 -0.005722 0.027358 -0.002121 31O 1py 0.026592 -0.029849 -0.027243 0.045380 0.003468 -0.023968 31O 2pz -0.131336 0.009102 0.169837 -0.086282 -0.170749 0.164044 31O 2px -0.004341 -0.015688 0.025787 0.048794 -0.126625 0.014229 31O 2py -0.105546 0.185053 0.110620 -0.178641 -0.023753 0.107865 31O 3pz -0.093781 -0.078770 0.157943 0.096597 -0.228912 0.037494 31O 3px 0.002070 0.022845 0.019944 -0.043270 -0.035064 -0.002663 31O 3py -0.121846 0.138732 0.113374 -0.290858 0.162475 0.042955 31O 1dz2 0.137243 -0.123474 -0.252698 0.229879 0.261555 -0.325203 31O 1dxz -0.150766 0.012905 0.183215 -0.011190 -0.195282 0.095300 31O 1dyz -0.056913 0.283722 0.049813 -0.063773 -0.027184 0.114319 31O 1dx2y2 0.006195 0.081500 -0.072013 0.042177 0.130093 -0.142975 31O 1dxy -0.168905 0.224250 0.169816 -0.241702 -0.007657 0.126930 31O 2dz2 -0.174881 0.109929 0.307553 -0.226431 -0.333919 0.354189 31O 2dxz 0.183593 -0.066229 -0.226885 0.077924 0.201116 -0.146957 31O 2dyz 0.052272 -0.173963 -0.062786 -0.004791 0.101490 -0.113997 31O 2dx2y2 -0.048097 0.086362 0.085136 -0.170989 -0.007833 0.146574 31O 2dxy 0.186703 -0.235110 -0.207179 0.273142 0.046551 -0.161631 31O 1f0 -0.008982 -0.005793 0.022653 -0.027381 -0.018552 0.014614 31O 1f+1 0.110691 -0.036693 -0.166280 0.091147 0.168593 -0.147236 31O 1f-1 0.082357 -0.028610 -0.098203 0.019242 0.107695 -0.067801 31O 1f+2 -0.082187 0.184558 0.066945 -0.163669 0.068530 0.060064 31O 1f-2 -0.018748 0.030172 0.031579 0.018225 -0.055704 0.035972 31O 1f+3 -0.075785 0.159548 0.085827 -0.166570 0.022668 0.082248 31O 1f-3 0.022748 0.080307 -0.055746 -0.023668 0.121682 -0.047505 32O 1s 0.000004 0.000187 -0.000213 0.003144 0.001146 -0.001903 32O 2s -0.000189 0.000651 -0.000699 0.010958 0.003950 -0.006927 32O 3s 0.004573 -0.011068 0.010044 -0.163015 -0.058410 0.111636 32O 4s -0.005661 0.030004 -0.022843 0.373999 0.135912 -0.263563 32O 5s -0.029448 0.000350 -0.000381 0.011329 -0.006674 -0.082443 32O 1pz -0.002702 0.001304 0.001231 -0.008333 -0.006498 0.003217 32O 1px -0.004463 0.002049 -0.000424 0.022010 0.006822 -0.016015 32O 1py 0.001548 -0.003062 0.001584 -0.026636 -0.009031 0.019446 32O 2pz 0.017994 -0.007209 -0.007578 0.040924 0.027167 -0.016890 32O 2px 0.017487 -0.014000 0.003707 -0.108771 -0.034483 0.091144 32O 2py -0.008555 0.016745 -0.008862 0.150279 0.051485 -0.119564 32O 3pz -0.012234 0.004955 0.001504 0.008476 -0.004029 -0.004945 32O 3px -0.005937 0.004476 0.002051 -0.030306 -0.011929 0.027820 32O 3py -0.002246 0.004810 -0.001336 -0.009063 0.000891 -0.045377 32O 1dz2 0.011506 0.014095 0.004452 -0.077783 -0.042106 0.019337 32O 1dxz 0.021330 0.006475 -0.000086 -0.065052 -0.002683 0.034340 32O 1dyz 0.013746 -0.011724 0.000739 -0.009365 -0.013492 0.004033 32O 1dx2y2 -0.007963 0.003952 0.000441 0.019990 0.015662 -0.035457 32O 1dxy -0.000533 0.003695 -0.001273 0.052679 0.008665 -0.031812 32O 2dz2 -0.009192 -0.009895 -0.008001 0.119819 0.058476 -0.053346 32O 2dxz -0.023762 -0.000448 -0.000802 0.095866 0.012545 -0.064620 32O 2dyz -0.005491 0.006939 -0.003361 0.014522 0.018489 -0.002418 32O 2dx2y2 0.005465 -0.003200 0.000554 -0.022166 -0.016391 0.035043 32O 2dxy 0.005944 -0.008739 0.002828 -0.089971 -0.021123 0.067595 32O 1f0 -0.005005 0.002491 -0.002991 0.070434 0.024947 -0.045453 32O 1f+1 0.003649 -0.002382 0.002580 -0.034048 -0.012237 0.022865 32O 1f-1 -0.007635 0.000311 -0.006650 0.092069 0.038098 -0.054194 32O 1f+2 -0.000970 -0.001871 0.002708 -0.030232 -0.010921 0.020522 32O 1f-2 -0.009688 0.003827 -0.000612 0.060391 0.011157 -0.044920 32O 1f+3 0.000222 -0.002157 0.001229 -0.014954 -0.002936 0.013694 32O 1f-3 0.004932 0.001120 0.000300 -0.024268 -0.003253 0.016169 33O 1s -0.000750 -0.000003 -0.000031 0.000389 0.000170 0.000085 33O 2s -0.001764 0.000001 -0.000100 0.001467 0.000713 0.000363 33O 3s -0.022883 -0.001307 0.000548 -0.015470 -0.004588 -0.007175 33O 4s 0.392160 0.025133 0.003734 0.013726 -0.005955 0.021922 33O 5s -0.222685 -0.040889 -0.023166 0.102825 0.018342 0.066801 33O 1pz -0.017081 -0.032630 0.026952 -0.005511 0.037404 -0.020251 33O 1px -0.029709 -0.021994 0.015942 0.005819 0.027351 -0.012322 33O 1py -0.027067 0.046778 -0.043029 0.050441 -0.011733 0.034879 33O 2pz 0.160024 0.132072 -0.109006 0.050074 -0.134186 0.099674 33O 2px 0.018058 0.090164 -0.066702 -0.057357 -0.146564 0.041759 33O 2py 0.123383 -0.189925 0.175606 -0.205428 0.053113 -0.150535 33O 3pz 0.177216 0.103667 -0.107250 -0.174052 -0.311047 0.049486 33O 3px -0.065472 0.043553 -0.057098 0.021831 -0.009355 -0.007257 33O 3py 0.106314 -0.083183 0.159256 -0.226165 -0.072037 -0.043560 33O 1dz2 0.190101 -0.223087 0.223781 -0.219932 0.172869 -0.278201 33O 1dxz 0.061991 0.093449 -0.073701 -0.076928 -0.147032 -0.008205 33O 1dyz 0.302421 0.226402 -0.177000 0.080590 -0.213032 0.179736 33O 1dx2y2 -0.086797 0.058554 -0.061382 0.060219 0.047413 -0.031473 33O 1dxy 0.089080 -0.262807 0.252498 -0.243287 0.117319 -0.193161 33O 2dz2 -0.022858 0.287294 -0.268075 0.159273 -0.294311 0.292829 33O 2dxz -0.070285 -0.103330 0.090928 0.041911 0.153730 -0.021591 33O 2dyz -0.161462 -0.252549 0.216870 -0.168165 0.167663 -0.204281 33O 2dx2y2 -0.034528 -0.084442 0.076971 0.002192 0.055885 0.012278 33O 2dxy -0.166667 0.309739 -0.310226 0.330117 -0.108465 0.239196 33O 1f0 0.117287 0.102512 -0.060619 -0.026901 -0.104794 0.030729 33O 1f+1 -0.108469 -0.153587 0.136028 -0.020011 0.195176 -0.107047 33O 1f-1 0.081535 -0.025583 0.033665 -0.082207 -0.038373 -0.031750 33O 1f+2 -0.136621 0.008591 -0.005616 0.048016 0.056784 -0.003950 33O 1f-2 -0.096102 0.151378 -0.143789 0.172526 -0.017654 0.108139 33O 1f+3 -0.133293 -0.026069 0.011588 0.058048 0.074989 -0.003582 33O 1f-3 -0.075083 0.124407 -0.128368 0.130068 -0.053917 0.103174 34O 1s 0.000110 -0.000313 -0.000118 0.000111 0.000451 -0.000202 34O 2s 0.000244 -0.000305 -0.000421 0.000547 0.001393 -0.000712 34O 3s 0.003050 -0.039293 0.006610 0.000155 -0.028297 0.010800 34O 4s -0.032682 0.378013 -0.024627 -0.038534 0.115978 -0.031011 34O 5s -0.080350 -0.038708 0.001115 0.064434 0.066750 -0.052639 34O 1pz -0.037779 -0.040964 0.042132 -0.011035 -0.052235 0.035539 34O 1px -0.006634 -0.000947 0.010277 -0.009678 -0.013761 0.009755 34O 1py -0.031421 0.008611 0.028688 -0.045349 0.000064 0.025199 34O 2pz 0.143717 0.169813 -0.170998 0.043048 0.222460 -0.155155 34O 2px 0.004036 0.147354 -0.047038 0.066453 0.054204 -0.053923 34O 2py 0.127589 -0.066575 -0.114743 0.186235 -0.004793 -0.106573 34O 3pz 0.133583 0.050212 -0.149611 -0.061205 0.180854 -0.044993 34O 3px -0.003888 0.147969 -0.031586 -0.134651 0.188666 -0.037776 34O 3py 0.081314 -0.044646 -0.112741 0.279541 -0.118231 -0.042574 34O 1dz2 0.069249 -0.049434 -0.025347 -0.060898 0.006446 0.094773 34O 1dxz -0.250803 -0.107129 0.289796 -0.223420 -0.237374 0.288780 34O 1dyz 0.057198 -0.145123 -0.072729 0.167451 0.002055 -0.128019 34O 1dx2y2 -0.042758 -0.210753 0.108395 0.030003 -0.252640 0.165591 34O 1dxy -0.154899 -0.260814 0.199278 -0.144674 -0.157339 0.160328 34O 2dz2 -0.060938 0.024750 0.034880 0.043301 -0.029425 -0.064725 34O 2dxz 0.285347 0.247723 -0.355689 0.178398 0.375503 -0.334718 34O 2dyz -0.068377 0.091890 0.088217 -0.149750 -0.033138 0.130200 34O 2dx2y2 0.071794 0.164868 -0.132432 0.049142 0.209439 -0.179207 34O 2dxy 0.209860 0.126964 -0.240455 0.278956 0.083617 -0.198226 34O 1f0 -0.080703 -0.167886 0.116653 -0.010970 -0.167528 0.097665 34O 1f+1 -0.033889 0.023629 0.037520 -0.027763 -0.037199 0.037772 34O 1f-1 -0.037686 0.007095 0.013392 -0.032303 0.035132 -0.005576 34O 1f+2 0.102344 0.160494 -0.132122 0.021259 0.172374 -0.106709 34O 1f-2 -0.053395 -0.077435 0.064683 -0.000802 -0.091670 0.046695 34O 1f+3 -0.092261 0.078634 0.085337 -0.148527 0.019316 0.073184 34O 1f-3 -0.104029 0.044005 0.108325 -0.181810 0.015363 0.099281 35O 1s 0.000245 0.000107 -0.000079 0.000542 0.000317 0.000103 35O 2s 0.000073 0.000252 -0.000360 0.001821 0.000899 0.000397 35O 3s 0.048143 0.002608 0.006233 -0.032882 -0.020029 -0.008739 35O 4s -0.440901 -0.027250 -0.025814 0.096905 0.070237 0.045333 35O 5s 0.045179 -0.048067 -0.016597 0.166971 0.090413 -0.021590 35O 1pz 0.031057 0.013529 -0.025574 -0.002194 -0.044461 0.019133 35O 1px -0.010528 0.006546 -0.014642 0.004205 -0.012748 0.014835 35O 1py 0.021985 -0.015941 0.044066 -0.051976 0.014640 -0.035073 35O 2pz -0.150420 -0.049025 0.102365 0.015489 0.190712 -0.081609 35O 2px -0.103230 -0.037611 0.053305 -0.026120 0.037786 -0.047677 35O 2py -0.156802 0.039200 -0.181507 0.217902 -0.066219 0.161705 35O 3pz -0.065008 -0.064559 0.094058 0.106548 0.235254 -0.017255 35O 3px -0.145289 -0.068412 0.045479 0.123781 0.166478 0.004788 35O 3py -0.106601 0.091968 -0.158082 0.230796 0.102889 0.044855 35O 1dz2 -0.174609 -0.073564 -0.044559 0.174175 0.024549 0.146261 35O 1dxz -0.101602 0.015246 -0.189289 0.148923 -0.168821 0.198467 35O 1dyz -0.286798 0.045827 -0.048730 0.056315 0.059744 -0.023198 35O 1dx2y2 0.076168 0.028833 -0.230217 0.131177 -0.268307 0.256577 35O 1dxy -0.036204 -0.082814 0.230404 -0.240340 0.083906 -0.157593 35O 2dz2 0.126885 0.061568 0.048923 -0.144665 -0.000111 -0.132508 35O 2dxz -0.074576 -0.045901 0.226051 -0.075966 0.303313 -0.216261 35O 2dyz 0.159009 -0.053602 0.059369 -0.011143 0.020515 0.006130 35O 2dx2y2 0.022599 -0.040433 0.279010 -0.220623 0.230512 -0.284371 35O 2dxy -0.045928 0.084200 -0.287405 0.323599 -0.090081 0.209214 35O 1f0 0.114155 0.024667 -0.082580 -0.004663 -0.154577 0.076379 35O 1f+1 -0.101991 -0.000816 0.004237 0.041555 0.054486 0.004808 35O 1f-1 -0.040866 -0.014879 0.057854 -0.035551 0.051194 -0.043508 35O 1f+2 -0.080287 -0.028054 0.073465 -0.001605 0.100247 -0.044589 35O 1f-2 -0.128502 -0.035891 0.043518 0.067038 0.134098 -0.027992 35O 1f+3 -0.164939 0.033101 -0.185005 0.214054 -0.045808 0.146705 35O 1f-3 -0.032011 -0.030562 0.079118 -0.082947 0.041646 -0.062458 720 721 722 723 724 725 6.93560 6.93869 7.00620 7.01539 7.01884 7.02004 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s 0.000099 0.000092 -0.000741 0.000077 0.000014 0.000032 0Rh 2s -0.001096 -0.001543 0.001616 -0.000319 0.000098 0.000042 0Rh 3s -0.000034 -0.000334 -0.003581 0.000285 0.000144 0.000220 0Rh 4s 0.007129 0.009989 -0.013842 0.002354 -0.000481 -0.000153 0Rh 5s -0.023015 -0.035469 0.036879 -0.007120 0.001546 0.001921 0Rh 6s 0.039979 0.080255 -0.018188 0.009881 -0.003128 -0.010767 0Rh 7s -0.124130 -0.420797 -0.011320 -0.033034 0.002178 0.079355 0Rh 8s 0.199690 0.133636 0.446407 -0.003819 -0.030323 -0.038894 0Rh 1pz -0.002821 0.001081 0.010969 0.012247 -0.002198 0.012373 0Rh 1px 0.003947 0.015093 -0.030677 0.007491 0.002087 -0.002301 0Rh 1py 0.002618 0.015562 -0.006383 -0.010837 -0.001032 0.011631 0Rh 2pz 0.011998 -0.004613 -0.046555 -0.052437 0.009360 -0.052990 0Rh 2px -0.016689 -0.064230 0.130234 -0.032037 -0.008871 0.009774 0Rh 2py -0.011069 -0.066240 0.027144 0.046423 0.004435 -0.049854 0Rh 3pz -0.042489 0.016637 0.163571 0.193339 -0.033405 0.195602 0Rh 3px 0.056461 0.229703 -0.457825 0.117379 0.031450 -0.034540 0Rh 3py 0.037942 0.236998 -0.096403 -0.171605 -0.016644 0.184859 0Rh 4pz 0.061068 -0.024534 -0.235474 -0.303876 0.048698 -0.307913 0Rh 4px -0.070445 -0.344940 0.657075 -0.182316 -0.046016 0.050804 0Rh 4py -0.051483 -0.354810 0.141389 0.270871 0.026728 -0.293181 0Rh 5pz -0.038504 0.012268 0.150507 0.235482 -0.028078 0.239900 0Rh 5px 0.018988 0.248037 -0.407252 0.136650 0.030978 -0.035202 0Rh 5py 0.025362 0.246620 -0.093143 -0.212340 -0.021226 0.232353 0Rh 6pz 0.117820 0.081053 -0.198052 -0.689351 0.060906 -0.748422 0Rh 6px -0.024195 -0.082618 0.495923 -0.335461 -0.029795 -0.058133 0Rh 6py 0.065096 -0.023109 0.090044 0.676805 0.093028 -0.833320 0Rh 1dz2 0.001830 0.002323 -0.001922 0.003529 -0.002366 0.002158 0Rh 1dxz 0.000647 -0.000261 -0.001649 -0.003501 0.000204 -0.004843 0Rh 1dyz -0.000601 0.000380 -0.000633 -0.000556 -0.008393 0.001014 0Rh 1dx2y2 0.001542 0.000373 0.002225 -0.003268 -0.001545 0.000550 0Rh 1dxy 0.001718 -0.001789 0.000318 0.004386 -0.002498 -0.004488 0Rh 2dz2 0.000918 0.000108 0.002152 -0.001059 0.003342 -0.000535 0Rh 2dxz 0.001828 0.001796 0.002046 0.000800 -0.000006 0.000887 0Rh 2dyz 0.000671 0.000179 0.000962 -0.000314 0.010077 0.000100 0Rh 2dx2y2 -0.003756 -0.002675 -0.003063 0.000741 0.001697 0.000549 0Rh 2dxy -0.002310 -0.000255 -0.000746 -0.001237 0.003635 0.001403 0Rh 3dz2 -0.015893 -0.014504 0.000288 -0.015960 -0.003305 -0.010392 0Rh 3dxz -0.013504 -0.007742 -0.000856 0.017193 -0.001210 0.024884 0Rh 3dyz 0.000070 -0.003238 -0.001273 0.005019 -0.002203 -0.006777 0Rh 3dx2y2 0.010414 0.011547 0.002751 0.016003 0.000413 -0.006172 0Rh 3dxy 0.001753 0.012006 0.002064 -0.020289 -0.004048 0.020040 0Rh 4dz2 0.051019 0.042023 0.008393 0.043547 0.025445 0.029480 0Rh 4dxz 0.047328 0.028074 0.012103 -0.048128 0.003384 -0.069964 0Rh 4dyz 0.002980 0.010423 0.008356 -0.015242 0.051884 0.021768 0Rh 4dx2y2 -0.046245 -0.041190 -0.021871 -0.044209 0.006570 0.019571 0Rh 4dxy -0.014500 -0.034919 -0.009742 0.055747 0.028650 -0.053727 0Rh 5dz2 -0.140671 -0.089711 -0.045178 -0.076538 -0.152385 -0.060162 0Rh 5dxz -0.147791 -0.077170 -0.058457 0.079662 -0.002750 0.121800 0Rh 5dyz -0.022028 -0.030448 -0.038465 0.018712 -0.369974 -0.072896 0Rh 5dx2y2 0.185508 0.108202 0.084307 0.074099 -0.055458 -0.045339 0Rh 5dxy 0.073217 0.071708 0.028021 -0.092739 -0.157031 0.069299 0Rh 1f0 0.001247 0.008296 -0.003626 -0.007968 -0.000420 0.005719 0Rh 1f+1 -0.001019 -0.000322 0.001693 0.006026 0.002873 0.010063 0Rh 1f-1 -0.000815 0.009587 -0.001261 0.001674 -0.003339 0.020401 0Rh 1f+2 -0.000088 -0.007534 0.003964 -0.018034 -0.002053 -0.011375 0Rh 1f-2 -0.001234 0.004600 0.000447 -0.013329 0.000586 0.012119 0Rh 1f+3 -0.000548 -0.006501 0.004411 0.014906 0.000573 -0.000191 0Rh 1f-3 -0.004033 -0.000486 0.001799 -0.008786 -0.003010 0.009499 1Rh 1s -0.000089 0.000099 0.000741 0.000041 -0.000020 0.000012 1Rh 2s 0.000932 -0.001628 -0.001616 -0.000191 -0.000111 0.000080 1Rh 3s -0.000000 -0.000343 0.003585 0.000140 -0.000186 0.000120 1Rh 4s -0.006072 0.010534 0.013844 0.001389 0.000547 -0.000496 1Rh 5s 0.019274 -0.037254 -0.036876 -0.004354 -0.002052 0.002838 1Rh 6s -0.031571 0.083441 0.018139 0.007065 0.005520 -0.011192 1Rh 7s 0.080122 -0.430896 0.011810 -0.028062 -0.020682 0.079345 1Rh 8s -0.185609 0.154257 -0.447004 0.005945 0.038647 -0.026354 1Rh 1pz -0.002368 -0.000502 0.010437 -0.012664 0.001247 -0.012654 1Rh 1px 0.002628 -0.015263 -0.030870 -0.006435 0.001735 0.003157 1Rh 1py 0.000670 -0.015864 -0.006224 0.010972 0.001349 -0.011571 1Rh 2pz 0.010072 0.002148 -0.044280 0.054209 -0.005389 0.054176 1Rh 2px -0.011076 0.064938 0.131060 0.027552 -0.007384 -0.013412 1Rh 2py -0.002776 0.067517 0.026465 -0.046993 -0.005769 0.049603 1Rh 3pz -0.035629 -0.007789 0.155204 -0.199595 0.020967 -0.199606 1Rh 3px 0.036389 -0.231877 -0.460860 -0.101577 0.026336 0.047429 1Rh 3py 0.008282 -0.241421 -0.093896 0.173517 0.021178 -0.184012 1Rh 4pz 0.050832 0.011292 -0.222359 0.312929 -0.036695 0.313035 1Rh 4px -0.040270 0.346642 0.661823 0.159585 -0.038796 -0.069590 1Rh 4py -0.007117 0.360971 0.137436 -0.273363 -0.033225 0.292050 1Rh 5pz -0.031232 -0.002641 0.140405 -0.241227 0.038019 -0.241239 1Rh 5px -0.003052 -0.245672 -0.410877 -0.122449 0.026112 0.047486 1Rh 5py -0.005343 -0.250133 -0.090088 0.213442 0.026282 -0.231795 1Rh 6pz 0.121617 -0.111886 -0.173316 0.696653 -0.138980 0.744470 1Rh 6px -0.009214 0.073910 0.504997 0.316583 -0.051360 0.043193 1Rh 6py 0.062874 0.024039 0.082392 -0.673133 -0.077100 0.835607 1Rh 1dz2 -0.001717 0.002583 0.002064 0.003555 0.001580 0.002604 1Rh 1dxz -0.000520 -0.000259 0.001447 -0.003487 0.001044 -0.004732 1Rh 1dyz 0.000538 0.000526 0.000649 -0.000266 0.007861 0.002862 1Rh 1dx2y2 -0.001443 0.000528 -0.002320 -0.003224 0.001431 0.000862 1Rh 1dxy -0.002003 -0.001524 -0.000232 0.004478 0.003281 -0.003847 1Rh 2dz2 -0.000837 0.000153 -0.002201 -0.001144 -0.003039 -0.001276 1Rh 2dxz -0.001715 0.002001 -0.001984 0.000809 -0.000232 0.000866 1Rh 2dyz -0.000596 0.000132 -0.000992 -0.000675 -0.009750 -0.002219 1Rh 2dx2y2 0.003442 -0.003052 0.003092 0.000661 -0.001751 0.000146 1Rh 2dxy 0.002334 -0.000534 0.000714 -0.001371 -0.003790 0.000536 1Rh 3dz2 0.014796 -0.016314 -0.000901 -0.015673 0.006514 -0.009175 1Rh 3dxz 0.012160 -0.008829 0.001762 0.017051 -0.005152 0.024308 1Rh 3dyz -0.000074 -0.003880 0.001328 0.005156 0.003734 -0.005749 1Rh 3dx2y2 -0.009389 0.012594 -0.002324 0.016163 0.000547 -0.005934 1Rh 3dxy -0.000178 0.011867 -0.002419 -0.020141 0.000069 0.020730 1Rh 4dz2 -0.047587 0.047636 -0.006752 0.042307 -0.033922 0.022337 1Rh 4dxz -0.043137 0.032102 -0.014567 -0.047579 0.014460 -0.068258 1Rh 4dyz -0.002759 0.012244 -0.008597 -0.017256 -0.055336 0.008145 1Rh 4dx2y2 0.042290 -0.045847 0.020715 -0.045147 -0.009418 0.016960 1Rh 4dxy 0.010090 -0.035597 0.010685 0.054644 -0.017496 -0.059793 1Rh 5dz2 0.132359 -0.104518 0.042487 -0.070694 0.166129 -0.022015 1Rh 5dxz 0.138209 -0.090442 0.062511 0.078008 -0.027883 0.117551 1Rh 5dyz 0.021015 -0.034598 0.038860 0.032346 0.376257 0.018252 1Rh 5dx2y2 -0.173853 0.126919 -0.082454 0.077983 0.061347 -0.029353 1Rh 5dxy -0.064546 0.077798 -0.029533 -0.086624 0.140037 0.106051 1Rh 1f0 0.000170 -0.008385 -0.003461 0.008043 0.000669 -0.005654 1Rh 1f+1 -0.000757 0.000340 0.001381 -0.005982 0.005296 -0.009071 1Rh 1f-1 -0.001607 -0.009403 -0.001570 -0.001782 0.001579 -0.020623 1Rh 1f+2 0.000017 0.007568 0.004641 0.017794 -0.005404 0.010357 1Rh 1f-2 -0.001999 -0.004476 0.000698 0.013277 0.002949 -0.011670 1Rh 1f+3 0.000544 0.006495 0.003962 -0.014977 0.000988 0.000326 1Rh 1f-3 -0.004182 0.000978 0.001944 0.008532 -0.000994 -0.010071 2C 1s 0.000393 0.000047 -0.000687 -0.000093 0.000343 -0.000782 2C 2s 0.000207 -0.000027 -0.001115 -0.000307 0.000234 -0.001336 2C 3s 0.021775 -0.002343 0.004563 0.010552 -0.009313 -0.002182 2C 4s -0.103747 0.057295 -0.012912 -0.035569 0.043444 0.024654 2C 5s 0.252053 0.104123 0.232183 0.149099 -0.127946 0.370993 2C 1pz 0.001039 -0.002694 0.004956 0.001185 0.001446 0.005838 2C 1px -0.001796 -0.001866 -0.017919 -0.005156 -0.010140 -0.024758 2C 1py -0.002116 -0.001535 -0.003834 0.000638 -0.003261 -0.007116 2C 2pz -0.067774 0.063425 -0.135387 -0.045980 -0.032916 -0.163481 2C 2px 0.004630 0.049209 0.205717 0.076833 0.156281 0.336257 2C 2py -0.019003 0.054211 0.004947 -0.016266 0.041517 0.049677 2C 3pz 0.040846 0.028813 0.020157 -0.009086 -0.025867 0.050232 2C 3px 0.042208 -0.011535 0.069535 0.035577 0.007935 0.090490 2C 3py 0.035093 0.001002 0.031767 0.066010 -0.008771 0.044614 2C 1dz2 -0.008594 -0.008781 0.003544 -0.001630 -0.009775 -0.000824 2C 1dxz 0.005532 0.016622 -0.012914 -0.002926 0.016963 -0.003146 2C 1dyz -0.006935 0.000368 -0.000055 -0.003014 -0.001508 0.000869 2C 1dx2y2 0.001632 0.001008 0.004760 -0.001883 0.000772 0.005266 2C 1dxy 0.006215 0.008823 -0.009267 0.004777 0.012748 -0.003713 2C 2dz2 -0.031890 -0.000441 -0.063671 -0.027093 -0.045345 -0.097404 2C 2dxz 0.042046 0.036037 0.037647 0.025219 0.072861 0.085263 2C 2dyz -0.027635 0.017729 -0.007505 0.001137 0.016007 0.006102 2C 2dx2y2 -0.000895 -0.019030 0.060978 0.031797 0.022494 0.080323 2C 2dxy 0.010226 0.041529 0.035476 -0.000201 0.057010 0.075921 2C 1f0 -0.016572 -0.020002 0.005874 -0.001850 -0.027698 -0.008599 2C 1f+1 0.007596 0.014811 -0.001608 0.003775 0.023694 0.013240 2C 1f-1 -0.009457 -0.006298 -0.004277 -0.005717 -0.009706 -0.010003 2C 1f+2 0.012910 0.011830 0.001194 0.002756 0.015350 0.007868 2C 1f-2 0.014597 0.018195 -0.002080 0.004858 0.033979 0.017145 2C 1f+3 0.009059 0.013589 0.001901 0.005378 0.020462 0.012663 2C 1f-3 -0.005251 -0.002439 0.009459 0.003513 -0.003729 0.009981 3C 1s -0.000338 -0.000067 -0.000651 -0.000573 -0.000241 0.000121 3C 2s -0.000283 0.000006 -0.000927 -0.000935 0.000041 0.000268 3C 3s -0.017391 -0.008153 -0.000389 -0.004524 -0.002855 -0.000500 3C 4s 0.095367 0.069939 0.014988 0.019847 0.024467 -0.016254 3C 5s -0.051285 0.037321 0.223831 0.169322 -0.077583 -0.170220 3C 1pz 0.000702 -0.001710 0.003976 0.005468 -0.003286 -0.002397 3C 1px -0.003486 0.001290 -0.016454 -0.022504 0.014924 0.007519 3C 1py 0.001170 0.002490 -0.001970 -0.001903 0.002037 -0.000678 3C 2pz 0.012385 0.052783 -0.063395 -0.108959 0.075123 0.040423 3C 2px 0.050748 -0.028681 0.190419 0.306600 -0.203533 -0.112517 3C 2py -0.040186 -0.070856 0.061563 0.090852 -0.073156 -0.006423 3C 3pz -0.018675 -0.006060 0.004461 -0.012182 0.005688 -0.028572 3C 3px 0.026332 -0.018615 0.065032 0.069416 -0.032267 -0.085825 3C 3py 0.013625 -0.020764 -0.026139 -0.017879 0.020368 0.003617 3C 1dz2 -0.000476 0.004861 0.004910 0.001436 0.004720 0.001508 3C 1dxz 0.003845 -0.008077 -0.011445 -0.007275 -0.005595 -0.002430 3C 1dyz 0.000897 -0.003659 -0.007082 -0.000948 -0.008623 0.000812 3C 1dx2y2 -0.000146 -0.006194 -0.006626 -0.000132 -0.010088 -0.001803 3C 1dxy -0.008345 0.004384 0.011837 0.000161 0.014285 -0.003202 3C 2dz2 -0.019815 -0.007866 -0.009984 -0.034490 0.030206 0.005624 3C 2dxz 0.030189 0.025838 -0.029623 -0.012295 -0.017911 0.022382 3C 2dyz -0.003175 -0.023988 0.012789 0.033582 -0.043746 -0.004483 3C 2dx2y2 0.017194 -0.019494 0.049999 0.091811 -0.071499 -0.025830 3C 2dxy -0.031757 0.019935 -0.052196 -0.105649 0.099116 0.050796 3C 1f0 -0.002446 0.001392 -0.002016 -0.006374 0.006922 0.002943 3C 1f+1 0.000075 -0.001061 0.013537 0.012047 -0.000661 -0.005730 3C 1f-1 0.005082 -0.006727 -0.000702 0.009366 -0.016143 -0.003817 3C 1f+2 0.006311 -0.007838 -0.002925 0.014787 -0.031423 -0.008015 3C 1f-2 -0.009468 0.007111 0.006169 -0.003259 0.014554 0.002883 3C 1f+3 0.014003 -0.008687 -0.007195 0.010457 -0.028211 -0.003732 3C 1f-3 0.012914 -0.010453 -0.009605 0.012064 -0.034877 -0.003340 4C 1s 0.003429 0.003530 0.001147 0.000506 -0.000645 -0.000848 4C 2s 0.010182 0.007648 0.003096 0.002021 -0.001252 -0.001607 4C 3s -0.135295 0.024225 -0.009588 -0.026721 0.000345 0.013905 4C 4s 0.194626 -0.451155 -0.052853 0.039715 0.057864 0.047525 4C 5s -0.053937 -0.214172 -0.157348 -0.027615 0.050940 -0.148834 4C 1pz -0.004730 0.006782 0.071119 0.022874 0.050286 0.107471 4C 1px -0.047538 -0.069757 -0.241919 -0.078276 -0.158146 -0.331659 4C 1py -0.020034 -0.021079 -0.047911 -0.016448 -0.029359 -0.059229 4C 2pz 0.019965 -0.072793 0.326499 0.047953 0.225697 0.392453 4C 2px -0.268955 -0.085177 -1.288776 -0.322140 -0.537371 -1.288791 4C 2py -0.088276 -0.067217 -0.292637 -0.085172 -0.067001 -0.255050 4C 3pz 0.224152 -0.042787 0.236553 0.154444 -0.028020 0.384561 4C 3px -0.112979 -0.025379 -0.578980 -0.175094 -0.160871 -0.779496 4C 3py 0.085081 -0.036253 -0.058517 0.009394 -0.083322 -0.040624 4C 1dz2 0.033427 0.032301 0.060134 0.034026 0.058316 0.078226 4C 1dxz -0.028445 -0.013533 -0.093090 -0.053682 -0.102546 -0.139706 4C 1dyz -0.004192 0.010925 0.002007 -0.018322 0.005672 0.006578 4C 1dx2y2 -0.026902 -0.027806 -0.012561 -0.026133 -0.003128 0.000983 4C 1dxy -0.025969 -0.061894 -0.076967 0.006887 -0.070442 -0.108094 4C 2dz2 0.004963 -0.097579 -0.016434 0.017106 -0.052023 -0.155385 4C 2dxz -0.051254 0.068349 0.080506 -0.040279 0.072137 0.280654 4C 2dyz 0.014674 -0.060819 0.002899 -0.072461 -0.013579 0.008021 4C 2dx2y2 0.025704 0.038823 -0.026982 -0.065620 0.007353 0.015635 4C 2dxy 0.031682 -0.049013 0.041383 0.191634 0.066590 0.177714 4C 1f0 0.024882 0.031692 -0.099375 0.032371 0.044727 -0.095348 4C 1f+1 -0.053080 -0.013616 0.092771 -0.037710 -0.050388 0.089456 4C 1f-1 -0.002554 0.014334 -0.028324 -0.040804 0.016182 -0.020578 4C 1f+2 0.005586 -0.028147 0.074616 -0.010144 -0.025037 0.060890 4C 1f-2 -0.043508 -0.068131 0.108850 0.046165 -0.053532 0.099493 4C 1f+3 -0.011471 -0.065326 0.100288 0.072164 -0.039715 0.070190 4C 1f-3 -0.011465 -0.012620 0.029609 0.015380 -0.007975 0.009485 5C 1s -0.002879 0.004819 0.000436 0.000621 -0.000619 -0.001455 5C 2s -0.007384 0.010339 0.000990 0.001200 -0.001731 -0.003730 5C 3s 0.074877 0.016726 0.013988 0.025808 0.004610 -0.000752 5C 4s -0.030698 -0.525050 -0.088672 -0.147861 0.065005 0.174036 5C 5s 0.028531 -0.210637 -0.144328 -0.152877 0.048936 0.134588 5C 1pz 0.025974 -0.026615 0.067542 0.097864 -0.069337 -0.028405 5C 1px -0.054888 0.039082 -0.216141 -0.310931 0.217963 0.103475 5C 1py -0.022162 0.027681 -0.037527 -0.053836 0.038472 0.012821 5C 2pz 0.148819 -0.115163 0.370849 0.355154 -0.226831 -0.092570 5C 2px -0.315461 0.061109 -1.195279 -1.187459 0.817469 0.414961 5C 2py -0.141533 0.120786 -0.171337 -0.165681 0.091789 0.005588 5C 3pz 0.035333 -0.049435 0.200275 0.227174 -0.125522 -0.108072 5C 3px -0.193935 0.030232 -0.513959 -0.720271 0.279819 0.230447 5C 3py 0.018872 0.090291 -0.144571 -0.121796 0.094601 0.113185 5C 1dz2 0.012307 0.024898 0.032276 0.055828 -0.048526 -0.002702 5C 1dxz -0.045863 0.015652 -0.037676 -0.069653 0.063263 -0.016493 5C 1dyz -0.022124 0.026238 -0.037797 -0.058899 0.052471 0.017368 5C 1dx2y2 -0.009739 -0.023916 -0.054274 -0.083727 0.076540 0.034472 5C 1dxy 0.032456 -0.068755 0.079098 0.114512 -0.115982 -0.065939 5C 2dz2 0.036975 0.097581 0.002203 -0.039218 0.027140 0.098907 5C 2dxz -0.043503 -0.099019 0.044761 0.120927 -0.060173 -0.175043 5C 2dyz 0.011702 0.075551 0.022944 0.120517 -0.051037 -0.056054 5C 2dx2y2 -0.005992 -0.015101 0.011440 0.095379 -0.059053 -0.064650 5C 2dxy -0.007408 -0.019710 -0.032943 -0.269122 0.140338 -0.048865 5C 1f0 0.007911 0.030489 -0.052048 -0.017694 -0.014432 0.051386 5C 1f+1 -0.001424 -0.007687 0.024276 0.002709 0.008346 -0.048318 5C 1f-1 -0.017638 -0.000279 0.047511 0.034572 0.017927 -0.039143 5C 1f+2 -0.024620 0.016289 0.127431 0.087058 0.027968 -0.050193 5C 1f-2 0.017586 0.004301 -0.040451 -0.038406 -0.018886 0.041153 5C 1f+3 0.010542 0.071641 0.129096 0.113928 0.019877 0.029467 5C 1f-3 -0.021281 0.034440 0.109788 0.090584 0.027026 -0.008556 6C 1s 0.003270 0.004607 -0.000386 0.000752 0.000825 -0.001357 6C 2s 0.008229 0.009972 -0.000888 0.001596 0.002341 -0.003429 6C 3s -0.072801 0.014993 -0.014064 0.022749 -0.005569 -0.000522 6C 4s -0.015111 -0.500913 0.084853 -0.150906 -0.089449 0.156776 6C 5s -0.045811 -0.199032 0.143356 -0.161700 -0.071542 0.120864 6C 1pz 0.029557 0.023633 0.065068 -0.102017 -0.070551 0.010934 6C 1px -0.062445 -0.030477 -0.207825 0.324981 0.224207 -0.048880 6C 1py -0.025223 -0.025688 -0.036183 0.055669 0.038537 -0.002948 6C 2pz 0.159398 0.095880 0.362250 -0.370923 -0.229031 0.032983 6C 2px -0.321942 -0.017556 -1.166383 1.248667 0.839736 -0.205990 6C 2py -0.151844 -0.102718 -0.166906 0.169194 0.085661 0.019603 6C 3pz 0.037786 0.036215 0.195380 -0.239962 -0.139562 0.075598 6C 3px -0.194871 -0.010586 -0.498547 0.742699 0.296728 -0.157224 6C 3py 0.013760 -0.080041 -0.142206 0.134440 0.115933 -0.087773 6C 1dz2 -0.011499 0.026311 -0.030418 0.058794 0.045285 0.008585 6C 1dxz 0.048887 0.010781 0.035474 -0.072458 -0.055365 -0.031441 6C 1dyz 0.025735 0.023523 0.036376 -0.061665 -0.052986 0.004229 6C 1dx2y2 0.009539 -0.025760 0.051863 -0.088406 -0.078423 0.015905 6C 1dxy -0.040625 -0.064001 -0.076641 0.120934 0.124041 -0.036270 6C 2dz2 -0.028553 0.096782 -0.002228 -0.041105 -0.049078 0.090302 6C 2dxz 0.033000 -0.103969 -0.043351 0.124554 0.093463 -0.156876 6C 2dyz -0.005078 0.073925 -0.020070 0.122917 0.058633 -0.043212 6C 2dx2y2 0.005653 -0.012279 -0.008925 0.098533 0.072038 -0.049091 6C 2dxy 0.010617 -0.020174 0.024437 -0.275831 -0.114366 -0.078505 6C 1f0 0.007023 -0.030292 -0.052331 0.018472 -0.002892 -0.052966 6C 1f+1 -0.001999 0.008218 0.024919 -0.002755 -0.002461 0.048821 6C 1f-1 -0.019576 0.001138 0.047125 -0.035328 0.009874 0.042252 6C 1f+2 -0.030265 -0.015081 0.125687 -0.089649 0.019324 0.054967 6C 1f-2 0.018675 -0.006936 -0.039919 0.038559 -0.010385 -0.044367 6C 1f+3 0.000660 -0.071604 0.125656 -0.115775 0.031611 -0.024445 6C 1f-3 -0.028039 -0.035057 0.107309 -0.092705 0.028325 0.014663 7C 1s -0.002968 0.003880 -0.001178 0.000450 0.000812 -0.000719 7C 2s -0.009172 0.008819 -0.003144 0.001781 0.001510 -0.001417 7C 3s 0.136585 0.004752 0.009151 -0.021584 -0.002242 0.016450 7C 4s -0.244481 -0.410959 0.056826 0.027951 -0.069514 0.026956 7C 5s 0.033344 -0.212762 0.158727 -0.034277 -0.012749 -0.162962 7C 1pz -0.004262 -0.005219 0.069041 -0.023031 0.074967 -0.093630 7C 1px -0.042179 0.072294 -0.236128 0.077203 -0.234548 0.287925 7C 1py -0.017920 0.022926 -0.046897 0.015904 -0.042963 0.050957 7C 2pz 0.027534 0.071416 0.319907 -0.049094 0.309715 -0.332612 7C 2px -0.259540 0.105072 -1.267326 0.329283 -0.832729 1.141276 7C 2py -0.081420 0.072211 -0.288663 0.087427 -0.127943 0.235501 7C 3pz 0.230927 0.011836 0.231874 -0.154340 0.071312 -0.382217 7C 3px -0.107738 0.031988 -0.567175 0.180336 -0.343268 0.729190 7C 3py 0.092400 0.022754 -0.056630 -0.007592 -0.088403 0.021479 7C 1dz2 -0.031145 0.034762 -0.058330 0.032786 -0.075991 0.062690 7C 1dxz 0.029503 -0.015633 0.089810 -0.051745 0.134438 -0.112619 7C 1dyz 0.006252 0.010581 -0.002667 -0.018246 -0.006425 0.005395 7C 1dx2y2 0.024457 -0.030143 0.011890 -0.025819 0.003560 0.002116 7C 1dxy 0.018453 -0.063890 0.076621 0.008229 0.093917 -0.089710 7C 2dz2 -0.015519 -0.097121 0.015188 0.019386 0.086660 -0.138899 7C 2dxz 0.060938 0.059059 -0.079271 -0.040036 -0.134173 0.258145 7C 2dyz -0.018311 -0.057852 -0.004968 -0.072912 0.013962 0.010516 7C 2dx2y2 -0.019824 0.044323 0.025249 -0.068237 -0.009053 0.012486 7C 2dxy -0.043030 -0.044691 -0.033299 0.189008 -0.113783 0.156060 7C 1f0 0.024762 -0.034129 -0.098969 -0.028221 0.023026 0.104242 7C 1f+1 -0.054688 0.020325 0.092755 0.032410 -0.030085 -0.100638 7C 1f-1 -0.004763 -0.013838 -0.026902 0.041670 0.009391 0.023875 7C 1f+2 0.006618 0.027010 0.074195 0.007845 -0.010972 -0.065585 7C 1f-2 -0.036948 0.073779 0.106294 -0.051671 -0.028130 -0.110914 7C 1f+3 -0.004422 0.066512 0.097443 -0.076638 -0.020368 -0.078671 7C 1f-3 -0.009923 0.015313 0.029080 -0.017224 -0.005536 -0.011793 8C 1s 0.000318 -0.000068 0.000656 -0.000584 0.000224 0.000169 8C 2s 0.000275 0.000008 0.000931 -0.000977 -0.000078 0.000249 8C 3s 0.016370 -0.009191 0.000247 -0.003793 0.003039 0.000027 8C 4s -0.086112 0.074916 -0.015006 0.016497 -0.018948 -0.020231 8C 5s 0.056243 0.043200 -0.223672 0.188083 0.111112 -0.148581 8C 1pz 0.000870 0.001612 0.003853 -0.005682 -0.003535 0.001572 8C 1px -0.003702 -0.000736 -0.015873 0.023479 0.015355 -0.003785 8C 1py 0.001005 -0.002650 -0.001911 0.002004 0.001739 0.001168 8C 2pz 0.006015 -0.051131 -0.061047 0.114960 0.077650 -0.022425 8C 2px 0.055107 0.022089 0.182233 -0.318090 -0.212323 0.060818 8C 2py -0.032125 0.071092 0.059492 -0.097581 -0.068044 -0.010085 8C 3pz -0.018618 0.006711 0.005193 0.011082 -0.002338 0.030001 8C 3px 0.026900 0.014726 0.064638 -0.073190 -0.048764 0.075089 8C 3py 0.015731 0.021746 -0.025781 0.021010 0.020409 0.001070 8C 1dz2 0.001211 0.004899 -0.004790 0.001290 -0.005050 0.000360 8C 1dxz -0.004991 -0.007867 0.011159 -0.007392 0.006423 -0.001069 8C 1dyz -0.001781 -0.003366 0.007122 -0.000689 0.008265 0.002738 8C 1dx2y2 -0.001024 -0.005933 0.006601 0.000293 0.010286 0.000497 8C 1dxy 0.009698 0.003839 -0.011969 0.000081 -0.013271 -0.006490 8C 2dz2 0.019931 -0.009500 0.009796 -0.036695 -0.029869 -0.001152 8C 2dxz -0.029334 0.027843 0.029582 -0.012491 0.013109 0.025698 8C 2dyz -0.000349 -0.022813 -0.011671 0.035945 0.041866 0.005453 8C 2dx2y2 -0.020295 -0.016973 -0.048450 0.097067 0.072130 -0.008683 8C 2dxy 0.034970 0.016395 0.049004 -0.109533 -0.104097 0.025723 8C 1f0 -0.002848 -0.001202 -0.001575 0.006354 0.007107 -0.001156 8C 1f+1 -0.000249 0.000961 0.013196 -0.012308 -0.001545 0.005296 8C 1f-1 0.006213 0.006133 -0.000949 -0.009958 -0.016290 -0.000034 8C 1f+2 0.008128 0.006967 -0.003353 -0.016011 -0.031963 0.000496 8C 1f-2 -0.010579 -0.006380 0.006124 0.003619 0.014844 0.000651 8C 1f+3 0.015730 0.007453 -0.007414 -0.011272 -0.028095 -0.002967 8C 1f-3 0.015421 0.009122 -0.010041 -0.013097 -0.034297 -0.004803 9C 1s -0.000386 0.000107 0.000693 -0.000144 -0.000151 -0.000886 9C 2s -0.000198 0.000016 0.001117 -0.000362 0.000103 -0.001413 9C 3s -0.022464 0.000583 -0.004254 0.010125 0.008757 -0.000248 9C 4s 0.110780 0.043267 0.011438 -0.033059 -0.045327 0.016643 9C 5s -0.247984 0.137139 -0.231603 0.154225 0.027864 0.397274 9C 1pz 0.001362 0.002659 0.004786 -0.001174 0.002801 -0.005359 9C 1px -0.001588 0.001908 -0.017510 0.005212 -0.015757 0.021852 9C 1py -0.001982 0.001733 -0.003780 -0.000718 -0.004777 0.006210 9C 2pz -0.074545 -0.055973 -0.132347 0.044924 -0.072313 0.151824 9C 2px 0.000392 -0.047225 0.199686 -0.076008 0.232415 -0.292343 9C 2py -0.024288 -0.051058 0.003664 0.016961 0.050288 -0.038248 9C 3pz 0.038774 -0.034028 0.020974 0.008671 -0.012659 -0.055521 9C 3px 0.042957 0.007178 0.068195 -0.033395 0.030087 -0.087553 9C 3py 0.036539 -0.006262 0.030671 -0.066716 0.005161 -0.046029 9C 1dz2 0.007833 -0.009741 -0.003530 -0.000923 0.009908 0.001611 9C 1dxz -0.004197 0.017139 0.012854 -0.003957 -0.015789 -0.007249 9C 1dyz 0.007106 -0.000558 0.000023 -0.002745 0.001479 0.001287 9C 1dx2y2 -0.001380 0.001202 -0.004801 -0.001914 -0.001899 0.004991 9C 1dxy -0.005836 0.009477 0.009178 0.004050 -0.011912 -0.006547 9C 2dz2 0.032234 -0.003720 0.061838 -0.025881 0.067779 -0.084308 9C 2dxz -0.040026 0.039738 -0.034971 0.022560 -0.090943 0.064273 9C 2dyz 0.029123 0.014391 0.008537 0.000942 -0.016156 0.001561 9C 2dx2y2 -0.001960 -0.020070 -0.058947 0.032153 -0.041008 0.073254 9C 2dxy -0.005086 0.041707 -0.037045 -0.000675 -0.075020 0.063708 9C 1f0 -0.014693 0.021634 0.005780 0.000366 -0.029133 0.001811 9C 1f+1 0.006398 -0.015260 -0.001448 -0.002781 0.026351 -0.007668 9C 1f-1 -0.009151 0.007424 -0.004047 0.005190 -0.012227 0.007448 9C 1f+2 0.011944 -0.013220 0.000981 -0.001979 0.016901 -0.003767 9C 1f-2 0.013390 -0.019724 -0.002532 -0.003295 0.037442 -0.008425 9C 1f+3 0.008260 -0.014561 0.001298 -0.004391 0.023302 -0.007130 9C 1f-3 -0.005038 0.002861 0.008954 -0.003909 -0.001219 -0.010454 10H 1s 0.012012 0.011928 -0.006158 -0.000579 0.011239 -0.000214 10H 2s 0.018118 0.021353 -0.145137 -0.049363 -0.050329 -0.203569 10H 3s -0.027756 -0.002207 0.007208 -0.010897 0.045774 0.035759 10H 1pz 0.001598 0.006651 -0.036966 -0.012753 -0.013191 -0.048537 10H 1px -0.007511 -0.009638 0.027532 0.007216 0.000816 0.033053 10H 1py 0.003011 -0.000279 -0.017276 -0.000204 -0.005667 -0.023203 11H 1s -0.002263 0.006910 0.016245 0.001218 0.003065 0.021376 11H 2s -0.023975 0.002494 -0.036467 0.002168 0.007796 -0.042685 11H 3s -0.006896 -0.012675 -0.024573 -0.051456 0.001398 -0.038114 11H 1pz -0.000556 0.001427 -0.005205 0.002563 0.002248 -0.006788 11H 1px -0.003866 -0.000717 -0.000719 0.005371 0.001432 -0.000404 11H 1py 0.004195 -0.003381 0.004198 0.002510 0.001616 0.005003 12H 1s 0.001854 -0.002842 0.021914 0.011433 0.001873 0.025440 12H 2s -0.008247 -0.004874 0.001312 0.002604 0.023412 0.017790 12H 3s -0.016286 -0.035579 -0.038270 0.031139 -0.005597 -0.081318 12H 1pz 0.002461 0.001373 0.002506 -0.000093 0.004914 0.005024 12H 1px -0.003069 0.001535 0.006386 -0.000013 0.004706 0.010800 12H 1py -0.000307 -0.000021 0.006362 0.000725 0.004138 0.010408 13H 1s 0.004119 0.000847 -0.010675 -0.002526 -0.009928 0.002449 13H 2s -0.004219 0.032563 -0.121572 -0.166946 0.075338 0.066976 13H 3s -0.001126 -0.011758 0.001994 0.039340 -0.036728 0.018418 13H 1pz -0.003131 0.001641 -0.028568 -0.036213 0.012089 0.009703 13H 1px -0.002517 -0.006114 0.017538 0.017614 -0.003343 -0.008788 13H 1py 0.001173 -0.007641 0.025934 0.034554 -0.018254 -0.014130 14H 1s -0.003850 -0.003645 0.020650 0.019723 -0.004687 -0.012426 14H 2s -0.022288 -0.017887 0.026217 0.039399 -0.035235 -0.019873 14H 3s 0.007015 -0.021166 -0.041949 -0.069093 0.037362 -0.024687 14H 1pz -0.004184 0.000181 0.006446 0.006982 -0.004708 -0.002877 14H 1px -0.003832 -0.001360 0.014789 0.018126 -0.010434 -0.006020 14H 1py -0.002163 0.001490 -0.003330 -0.007449 0.009162 0.001712 15H 1s 0.004419 0.004432 0.011988 0.016083 -0.005607 -0.003001 15H 2s -0.007632 0.001277 -0.031278 -0.032108 0.009121 -0.005055 15H 3s 0.003454 0.004807 -0.025143 -0.020816 -0.000582 0.043246 15H 1pz -0.000102 -0.002335 0.001316 0.002431 -0.003058 0.001385 15H 1px -0.002683 -0.004594 0.002417 0.002033 -0.000473 -0.005111 15H 1py 0.003996 0.000630 0.006148 0.006187 0.000276 0.003000 16H 1s -0.577166 -0.506194 0.124327 -0.152531 0.289033 0.139688 16H 2s -0.866305 -0.787878 0.173525 -0.233549 0.508238 0.253351 16H 3s 0.057854 0.062988 -0.069873 0.026855 -0.043958 -0.021842 16H 1pz -0.578114 -0.515283 0.120634 -0.144701 0.294848 0.152622 16H 1px 0.083841 0.078355 -0.015779 0.018639 -0.020651 -0.005756 16H 1py -0.318698 -0.280240 0.064229 -0.069374 0.120902 0.081168 17H 1s -0.553868 -0.485319 0.090324 0.066070 -0.370519 0.098842 17H 2s -0.810210 -0.742151 0.118690 0.112425 -0.611382 0.183498 17H 3s 0.057827 0.059217 -0.071509 -0.011154 0.063842 -0.009449 17H 1pz 0.309290 0.275079 -0.049500 -0.030224 0.228717 -0.059551 17H 1px 0.396088 0.355518 -0.061883 -0.052840 0.250250 -0.083222 17H 1py -0.385826 -0.341480 0.062230 0.026867 -0.222804 0.073341 18H 1s 0.501946 -0.538380 -0.086447 0.089218 0.334612 0.182386 18H 2s 0.729619 -0.817725 -0.111970 0.152872 0.543267 0.323500 18H 3s -0.051371 0.064791 0.071093 -0.016624 -0.059540 -0.024542 18H 1pz 0.289262 -0.314870 -0.049335 0.045682 0.211316 0.114601 18H 1px 0.358852 -0.394157 -0.059103 0.069817 0.221592 0.141132 18H 1py -0.340092 0.368286 0.058647 -0.040521 -0.192420 -0.120084 19H 1s 0.523681 -0.562246 -0.127914 -0.154152 -0.301121 0.075114 19H 2s 0.785422 -0.874940 -0.179171 -0.233276 -0.536503 0.138603 19H 3s -0.051063 0.067873 0.070563 0.025980 0.045782 -0.012784 19H 1pz -0.517446 0.564804 0.122187 0.143245 0.308210 -0.084773 19H 1px 0.080380 -0.091789 -0.017513 -0.018064 -0.022232 0.002229 19H 1py -0.300268 0.323409 0.068504 0.071702 0.137111 -0.056424 20H 1s -0.004120 0.004934 -0.011878 0.017015 0.005694 -0.001578 20H 2s 0.007726 0.000042 0.030790 -0.033645 -0.006430 -0.007006 20H 3s -0.003247 0.004234 0.025624 -0.022681 -0.009366 0.042795 20H 1pz 0.000238 0.002273 0.001247 -0.002656 -0.002544 -0.001989 20H 1px -0.002408 0.004754 0.002410 -0.002134 -0.001617 0.004885 20H 1py 0.003853 -0.001008 0.006004 -0.006246 0.001255 -0.002904 21H 1s 0.003703 -0.003747 -0.020320 0.020697 0.006826 -0.010973 21H 2s 0.020990 -0.019304 -0.023594 0.039430 0.036355 -0.010103 21H 3s -0.008274 -0.021258 0.039766 -0.071910 -0.027676 -0.032652 21H 1pz -0.004333 0.000109 0.006017 -0.007114 -0.004877 0.001609 21H 1px -0.003772 0.001504 0.013921 -0.018454 -0.010605 0.003125 21H 1py -0.002467 -0.001148 -0.002974 0.007716 0.008900 0.000570 22H 1s -0.004788 0.001148 0.010555 -0.002135 0.009370 0.004505 22H 2s 0.006892 0.030331 0.118605 -0.174420 -0.082457 0.047265 22H 3s -0.000248 -0.011605 -0.000175 0.040187 0.030045 0.025929 22H 1pz -0.003113 -0.000950 -0.027699 0.037477 0.012541 -0.006455 22H 1px -0.002370 0.006028 0.017325 -0.018403 -0.004607 0.007713 22H 1py 0.001893 0.007196 0.025370 -0.036246 -0.019697 0.009493 23H 1s -0.002635 -0.002669 -0.021251 0.011913 -0.008337 0.024623 23H 2s 0.007167 -0.006033 0.001863 0.000375 -0.024870 0.008379 23H 3s 0.012811 -0.036961 0.038305 0.030530 0.022635 -0.078257 23H 1pz 0.002288 -0.001590 0.002353 0.000412 0.005796 -0.003506 23H 1px -0.003250 -0.001151 0.005869 0.000225 0.006737 -0.009060 23H 1py -0.000201 0.000068 0.005486 -0.000357 0.006129 -0.008380 24H 1s 0.003202 0.006617 -0.016454 0.001550 -0.008212 0.020838 24H 2s 0.025036 0.000257 0.035972 0.001396 0.001810 -0.043521 24H 3s 0.006786 -0.014301 0.023773 -0.053385 0.010195 -0.038517 24H 1pz -0.000768 -0.001468 -0.005038 -0.002355 0.000904 0.007090 24H 1px -0.003821 0.001026 -0.000866 -0.005396 0.001597 0.000709 24H 1py 0.004673 0.002937 0.004006 -0.002525 0.002939 -0.004444 25H 1s -0.011074 0.013269 0.005874 -0.001214 -0.011233 -0.002762 25H 2s -0.015957 0.024515 0.142582 -0.050966 0.097960 -0.189611 25H 3s 0.027928 -0.005863 -0.006481 -0.010845 -0.052347 0.023500 25H 1pz 0.000910 -0.007292 -0.036396 0.013237 -0.024445 0.044966 25H 1px -0.006721 0.010537 0.027050 -0.007816 0.008635 -0.032514 25H 1py 0.003283 -0.000048 -0.016961 0.000370 -0.010947 0.021409 26O 1s 0.001507 0.001403 0.003893 0.001293 0.000881 0.004035 26O 2s 0.004983 0.004600 0.012785 0.004014 0.003311 0.012555 26O 3s -0.051019 -0.046361 -0.163931 -0.042861 -0.029563 -0.139312 26O 4s 0.000010 -0.050707 0.189469 0.002192 -0.171483 -0.007821 26O 5s 0.361020 0.524532 1.347127 0.306843 0.930197 1.215959 26O 1pz -0.011320 -0.008400 0.030247 -0.004292 0.001942 0.038629 26O 1px 0.040508 0.048862 0.085554 0.023284 0.054903 0.086910 26O 1py 0.015554 0.006731 0.048941 0.024673 0.023791 0.052569 26O 2pz 0.048747 0.024685 -0.161123 0.007957 -0.011998 -0.201633 26O 2px -0.114259 -0.162731 -0.361734 -0.065048 -0.168375 -0.282238 26O 2py -0.042748 -0.016992 -0.227040 -0.099761 -0.077313 -0.214265 26O 3pz 0.010841 0.092032 -0.189299 0.032251 0.120843 -0.367165 26O 3px -0.064662 -0.109027 -0.615504 -0.111120 -0.224467 -0.731911 26O 3py 0.003941 0.070810 -0.364446 -0.249527 -0.010757 -0.460278 26O 1dz2 0.059709 0.005014 0.161832 0.029733 0.045591 0.180574 26O 1dxz -0.024665 -0.040673 -0.179494 0.021050 -0.070834 -0.223130 26O 1dyz -0.056006 -0.103294 -0.101018 -0.011766 -0.140825 -0.201266 26O 1dx2y2 -0.023659 -0.091989 -0.175294 0.001289 -0.103164 -0.229989 26O 1dxy -0.102546 -0.061433 -0.307240 -0.193384 -0.186893 -0.385314 26O 2dz2 -0.071297 -0.034285 -0.203145 -0.047906 -0.075133 -0.223389 26O 2dxz 0.004475 0.016951 0.281875 -0.025527 0.058627 0.334958 26O 2dyz 0.047454 0.084876 0.158246 0.016115 0.135876 0.250556 26O 2dx2y2 0.047314 0.144105 0.200342 -0.019816 0.144697 0.254664 26O 2dxy 0.115106 0.065422 0.415109 0.244410 0.215636 0.486691 26O 1f0 -0.013433 -0.005940 0.089238 -0.015341 -0.007856 0.096251 26O 1f+1 0.044172 0.057011 0.046156 0.019237 0.063351 0.064629 26O 1f-1 0.015758 0.020585 0.043368 0.036996 0.036612 0.067736 26O 1f+2 0.009482 0.003265 -0.066418 0.013455 0.001744 -0.075217 26O 1f-2 0.005431 0.013517 -0.100304 0.002191 0.010881 -0.102928 26O 1f+3 0.020379 0.073225 -0.015435 -0.053640 0.047275 0.010906 26O 1f-3 0.057195 0.044864 0.133520 0.075657 0.073099 0.153753 27O 1s 0.000292 0.000878 0.003277 0.004101 -0.002073 -0.001643 27O 2s 0.001256 0.002811 0.010875 0.012835 -0.007115 -0.005183 27O 3s -0.021387 -0.040700 -0.144276 -0.147269 0.077320 0.058932 27O 4s 0.013881 0.099576 0.187994 0.044218 0.116414 -0.005122 27O 5s 0.426225 0.183230 1.205734 1.217156 -1.236763 -0.534890 27O 1pz -0.005527 -0.014192 0.011519 0.010404 0.003752 -0.011222 27O 1px 0.011183 0.008427 0.082189 0.096341 -0.082687 -0.044374 27O 1py -0.002292 -0.004806 -0.038931 -0.048410 0.018021 0.003297 27O 2pz 0.026566 0.060346 -0.068660 -0.074990 -0.000862 0.061219 27O 2px -0.078784 -0.064800 -0.371218 -0.346154 0.278913 0.159478 27O 2py 0.022351 0.035672 0.194729 0.233083 -0.081664 -0.025327 27O 3pz 0.023486 0.080324 -0.047353 -0.085510 -0.096342 0.159830 27O 3px -0.125743 -0.006555 -0.634439 -0.793299 0.419226 0.303064 27O 3py 0.006370 -0.039394 0.240225 0.419180 -0.025413 0.014769 27O 1dz2 0.047856 0.009525 0.180625 0.264640 -0.195361 -0.146821 27O 1dxz 0.018332 0.114738 -0.066685 -0.047775 0.023816 0.100875 27O 1dyz 0.009914 -0.011256 0.020122 0.086490 -0.112071 -0.053691 27O 1dx2y2 0.016942 0.037925 -0.239373 -0.292430 0.192206 0.129076 27O 1dxy 0.083098 0.016924 0.230193 0.349216 -0.226054 -0.032349 27O 2dz2 -0.059078 -0.018508 -0.243983 -0.329537 0.241110 0.173701 27O 2dxz -0.033381 -0.125133 0.124513 0.090446 -0.012023 -0.146915 27O 2dyz -0.007867 0.012025 -0.032167 -0.083857 0.111113 0.064710 27O 2dx2y2 0.008875 -0.033324 0.292723 0.356484 -0.262273 -0.172947 27O 2dxy -0.091178 -0.058110 -0.352483 -0.477458 0.260595 0.049953 27O 1f0 -0.019492 -0.021270 0.037711 0.001182 0.032292 -0.035779 27O 1f+1 0.010767 -0.004582 0.091279 0.116612 -0.086780 -0.066034 27O 1f-1 0.001368 -0.008433 -0.049427 -0.058514 0.020382 0.013699 27O 1f+2 0.020341 0.027671 -0.053306 -0.038106 -0.016535 0.053028 27O 1f-2 -0.011660 -0.001223 0.024474 0.012185 0.008336 -0.026636 27O 1f+3 0.015483 -0.036445 0.032032 0.069096 -0.103334 -0.060479 27O 1f-3 -0.020090 -0.052329 -0.153381 -0.184219 0.065613 0.015933 28O 1s -0.000312 0.000809 -0.002542 -0.000581 -0.001324 -0.003988 28O 2s -0.001330 0.002530 -0.008654 -0.001974 -0.004773 -0.012441 28O 3s 0.027589 -0.040719 0.113065 0.024679 0.051533 0.136792 28O 4s -0.071580 0.134192 -0.063373 0.004635 0.113103 0.051039 28O 5s -0.350601 0.110382 -1.302160 -0.337097 -0.950812 -1.354931 28O 1pz 0.004222 -0.008783 -0.067996 -0.012541 -0.035026 -0.083907 28O 1px 0.001795 -0.004117 0.050686 0.015217 0.051537 0.065699 28O 1py 0.003555 0.001720 -0.025390 -0.019893 -0.001094 -0.025203 28O 2pz 0.025380 0.000513 0.309628 0.056082 0.122035 0.334098 28O 2px -0.063504 0.052849 -0.200364 -0.060117 -0.171517 -0.183203 28O 2py -0.004036 -0.021238 0.123837 0.089918 0.009123 0.129822 28O 3pz 0.063950 0.052763 0.501862 0.086963 0.079388 0.776857 28O 3px -0.117764 0.061781 -0.445871 -0.184603 -0.271256 -0.531015 28O 3py 0.007382 0.009317 0.125416 0.213669 -0.050650 0.210722 28O 1dz2 0.018048 0.096553 0.156968 0.010786 0.092266 0.222192 28O 1dxz 0.003907 -0.051602 -0.319930 -0.047059 -0.181540 -0.447570 28O 1dyz 0.067590 -0.010571 0.132827 0.107212 0.146258 0.232136 28O 1dx2y2 -0.037025 -0.019810 0.103849 0.068404 0.090156 0.158418 28O 1dxy -0.021816 -0.001209 -0.103846 -0.125598 -0.012343 -0.081535 28O 2dz2 -0.004514 -0.074854 -0.239170 -0.000817 -0.080687 -0.312046 28O 2dxz 0.020492 0.036904 0.419682 0.070470 0.237324 0.568679 28O 2dyz -0.060658 0.041981 -0.193997 -0.138491 -0.144510 -0.284345 28O 2dx2y2 0.005345 0.013766 -0.104728 -0.079715 -0.139557 -0.165782 28O 2dxy 0.018807 -0.027490 0.159197 0.168003 0.010632 0.141151 28O 1f0 -0.016771 -0.015906 0.002383 -0.018358 -0.053622 -0.014295 28O 1f+1 0.018509 -0.005883 -0.147753 0.007839 -0.024076 -0.183544 28O 1f-1 -0.012988 -0.030184 0.043308 0.014337 -0.013583 0.034341 28O 1f+2 0.019824 0.022070 0.076865 0.026504 0.096145 0.132188 28O 1f-2 0.004780 0.043794 -0.095508 -0.072825 -0.006765 -0.108505 28O 1f+3 0.013776 0.017726 -0.001486 0.012913 0.056456 0.019445 28O 1f-3 -0.006752 0.023724 -0.047527 -0.058091 -0.002362 -0.038447 29O 1s 0.015975 0.013765 -0.003370 0.001309 0.001229 -0.003205 29O 2s 0.056159 0.048713 -0.011816 0.004515 0.004203 -0.011613 29O 3s -0.869121 -0.758811 0.177240 -0.068928 -0.063469 0.187518 29O 4s 2.027185 1.752511 -0.377882 0.161422 0.146173 -0.441266 29O 5s 0.330112 0.414711 -0.233936 0.013149 0.019285 -0.131171 29O 1pz 0.060689 0.053561 -0.014522 0.050637 -0.128652 -0.019496 29O 1px -0.113606 -0.097832 0.008945 0.007588 -0.056240 0.025074 29O 1py 0.141310 0.127646 -0.034120 0.005178 0.022038 -0.028436 29O 2pz -0.333496 -0.295047 0.084580 -0.269374 0.739937 0.117923 29O 2px 0.600993 0.527529 -0.058897 -0.041982 0.319155 -0.126690 29O 2py -0.842896 -0.755011 0.181166 -0.040883 -0.127972 0.186444 29O 3pz -0.084401 -0.055167 -0.009162 -0.043860 0.201139 0.051461 29O 3px 0.122679 0.065047 0.048965 -0.000598 0.080631 -0.021018 29O 3py -0.152286 -0.146505 -0.018396 -0.024986 -0.027404 0.083099 29O 1dz2 -0.387252 -0.335253 0.077108 -0.060147 0.123772 0.103641 29O 1dxz -0.302551 -0.266630 0.046248 0.000714 -0.169464 0.023864 29O 1dyz -0.022506 -0.018052 0.019265 -0.124339 0.259120 0.010259 29O 1dx2y2 0.095286 0.077760 -0.036464 -0.005557 -0.041538 -0.029178 29O 1dxy 0.194191 0.158038 -0.042830 -0.006610 0.129822 -0.072413 29O 2dz2 0.664656 0.581569 -0.132089 0.137226 -0.275476 -0.174978 29O 2dxz 0.482298 0.424672 -0.067358 -0.040955 0.338685 -0.062861 29O 2dyz 0.074618 0.064112 -0.039684 0.210281 -0.539020 -0.037310 29O 2dx2y2 -0.129764 -0.106347 0.032370 -0.014381 0.083709 0.039496 29O 2dxy -0.422310 -0.362781 0.075754 0.032864 -0.269751 0.110963 29O 1f0 -0.388081 -0.340890 0.071359 -0.032485 -0.000734 0.087386 29O 1f+1 0.147180 0.129288 -0.023882 0.003619 0.038828 -0.029014 29O 1f-1 -0.464572 -0.410801 0.090568 -0.077234 0.127940 0.108060 29O 1f+2 0.142517 0.124316 -0.028846 0.038047 -0.057974 -0.037078 29O 1f-2 -0.297793 -0.263918 0.044506 0.038615 -0.245427 0.046455 29O 1f+3 0.096050 0.083787 -0.013804 -0.010861 0.075072 -0.022307 29O 1f-3 0.110682 0.099470 -0.013220 -0.026418 0.115766 -0.003863 30O 1s -0.001666 0.001840 -0.002785 -0.003403 0.001493 0.000587 30O 2s -0.005584 0.006117 -0.009265 -0.010510 0.005262 0.001905 30O 3s 0.066265 -0.072308 0.120765 0.110720 -0.053257 -0.019598 30O 4s -0.066555 0.055986 -0.120175 0.072960 -0.172694 -0.044931 30O 5s -0.440931 0.500691 -1.137914 -1.062197 1.170239 0.334925 30O 1pz -0.011589 0.024935 -0.046360 -0.050733 0.035765 0.026386 30O 1px 0.035005 -0.039295 0.037931 0.047244 -0.052594 -0.004718 30O 1py 0.020438 -0.009695 0.056077 0.065659 -0.041929 -0.012488 30O 2pz 0.042249 -0.105552 0.209248 0.181530 -0.123941 -0.104460 30O 2px -0.127146 0.146115 -0.148249 -0.100185 0.157778 -0.002760 30O 2py -0.079090 0.040289 -0.263232 -0.260796 0.152806 0.047965 30O 3pz 0.079282 -0.079455 0.352469 0.438518 -0.121721 -0.293935 30O 3px -0.124144 0.150882 -0.346622 -0.367749 0.328350 0.072564 30O 3py -0.093908 -0.028695 -0.424765 -0.624491 0.137494 0.075425 30O 1dz2 -0.056402 -0.023553 -0.011296 -0.073034 0.065084 -0.054422 30O 1dxz -0.054278 0.089270 -0.185917 -0.226929 0.139847 0.150288 30O 1dyz -0.081250 0.117827 -0.224361 -0.361986 0.290781 0.118587 30O 1dx2y2 -0.034394 -0.022083 -0.056493 -0.069681 0.043238 0.037784 30O 1dxy 0.081183 0.014634 0.232811 0.291557 -0.153103 -0.010485 30O 2dz2 0.069290 0.023587 -0.000947 0.065220 -0.080830 0.091399 30O 2dxz 0.073475 -0.137237 0.227674 0.268103 -0.183843 -0.180821 30O 2dyz 0.095382 -0.127998 0.324472 0.448639 -0.324953 -0.151650 30O 2dx2y2 0.016975 0.059802 0.129702 0.136452 -0.028525 -0.051189 30O 2dxy -0.110269 0.007570 -0.302908 -0.372285 0.204023 0.012720 30O 1f0 -0.036487 0.030745 -0.058043 -0.072674 0.053895 0.012657 30O 1f+1 0.014179 0.033995 -0.035756 -0.014641 -0.003371 0.067365 30O 1f-1 0.003567 0.017110 -0.037897 -0.029633 0.000519 0.040428 30O 1f+2 0.014044 -0.052708 -0.053509 -0.024737 -0.042970 -0.016764 30O 1f-2 0.044824 -0.057765 0.130382 0.170860 -0.101408 -0.058093 30O 1f+3 -0.016183 -0.024121 -0.104149 -0.110767 0.022586 0.008678 30O 1f-3 0.045822 -0.031478 0.014825 0.051784 -0.073013 0.014955 31O 1s 0.001830 0.001637 0.002700 -0.003503 -0.001466 0.000189 31O 2s 0.006131 0.005425 0.009005 -0.010864 -0.005190 0.000506 31O 3s -0.071935 -0.063154 -0.118086 0.115016 0.052534 -0.005020 31O 4s 0.062378 0.041841 0.122479 0.076808 0.174636 -0.006048 31O 5s 0.498817 0.439287 1.111022 -1.131719 -1.176110 0.041028 31O 1pz -0.014166 -0.023339 -0.045250 0.053030 0.039136 -0.016764 31O 1px 0.040149 0.035849 0.036701 -0.049610 -0.050597 -0.008417 31O 1py 0.021615 0.007437 0.054326 -0.068390 -0.041452 0.001848 31O 2pz 0.051507 0.096931 0.205397 -0.190802 -0.138391 0.070296 31O 2px -0.144377 -0.130807 -0.145662 0.108286 0.149670 0.042771 31O 2py -0.082573 -0.028804 -0.256198 0.272419 0.150648 -0.008538 31O 3pz 0.081452 0.063612 0.344879 -0.453736 -0.170659 0.256239 31O 3px -0.138221 -0.128881 -0.336819 0.387586 0.322065 0.009418 31O 3py -0.083877 0.048319 -0.409576 0.641170 0.128118 -0.041095 31O 1dz2 0.057264 -0.028043 0.008191 -0.075129 -0.047872 -0.068570 31O 1dxz 0.063422 0.082772 0.181467 -0.236094 -0.162599 0.111900 31O 1dyz 0.096541 0.106878 0.215100 -0.378037 -0.297241 0.045997 31O 1dx2y2 0.033779 -0.025426 0.054762 -0.073903 -0.048890 0.026399 31O 1dxy -0.081715 0.021963 -0.224384 0.302175 0.140484 0.027257 31O 2dz2 -0.071219 0.029091 0.004322 0.067437 0.055035 0.108411 31O 2dxz -0.087298 -0.126959 -0.222550 0.279844 0.211135 -0.130714 31O 2dyz -0.109671 -0.114131 -0.313301 0.468416 0.334644 -0.069390 31O 2dx2y2 -0.010016 0.061505 -0.126214 0.142068 0.034716 -0.042888 31O 2dxy 0.112830 -0.004457 0.292308 -0.386381 -0.187648 -0.037660 31O 1f0 -0.040229 -0.027139 -0.056196 0.075661 0.052739 0.000966 31O 1f+1 0.012619 -0.034331 -0.036353 0.015712 0.011872 -0.066165 31O 1f-1 0.003326 -0.016771 -0.037708 0.030637 0.008766 -0.039102 31O 1f+2 0.022164 0.051053 -0.052727 0.024599 -0.046944 0.006219 31O 1f-2 0.050683 0.051730 0.126278 -0.177477 -0.105895 0.031823 31O 1f+3 -0.012224 0.026513 -0.101101 0.114297 0.019856 -0.002711 31O 1f-3 0.051852 0.026844 0.013061 -0.054433 -0.065887 -0.032156 32O 1s -0.014516 0.015314 0.003370 0.001006 -0.000596 -0.003498 32O 2s -0.050992 0.054153 0.011813 0.003430 -0.001880 -0.012609 32O 3s 0.788676 -0.843008 -0.177125 -0.051704 0.025305 0.202477 32O 4s -1.841538 1.949349 0.377668 0.122641 -0.056353 -0.474960 32O 5s -0.286192 0.445050 0.233015 -0.006383 0.014578 -0.139136 32O 1pz 0.051862 -0.055965 -0.015309 -0.054517 -0.126595 -0.010366 32O 1px -0.104325 0.110064 0.008664 -0.011054 -0.048151 -0.037718 32O 1py 0.128164 -0.141714 -0.034189 -0.002913 0.012309 0.033174 32O 2pz -0.283800 0.307308 0.088505 0.291262 0.730435 0.054833 32O 2px 0.551611 -0.592827 -0.057469 0.062126 0.276267 0.199756 32O 2py -0.765339 0.839138 0.181686 0.027124 -0.066818 -0.213629 32O 3pz -0.078258 0.064145 -0.006723 0.050579 0.203795 -0.002872 32O 3px 0.116332 -0.077833 0.049843 0.002460 0.072149 0.038627 32O 3py -0.136887 0.161120 -0.018327 0.021453 -0.002152 -0.087692 32O 1dz2 0.351744 -0.372902 -0.077358 -0.053268 -0.125443 0.078777 32O 1dxz 0.275870 -0.297396 -0.045536 0.015205 0.165592 0.064395 32O 1dyz 0.035556 -0.036332 -0.026019 -0.135950 -0.251078 -0.045866 32O 1dx2y2 -0.085722 0.085976 0.036309 -0.002674 0.055135 -0.017542 32O 1dxy -0.173307 0.172305 0.040927 -0.012725 -0.102429 -0.098894 32O 2dz2 -0.602764 0.645792 0.133376 0.126635 0.271789 -0.118022 32O 2dxz -0.440530 0.474699 0.064830 -0.067139 -0.324957 -0.143217 32O 2dyz -0.092727 0.098429 0.051495 0.233575 0.527353 0.080387 32O 2dx2y2 0.116150 -0.116750 -0.032905 -0.020905 -0.104328 0.016741 32O 2dxy 0.376315 -0.395364 -0.072050 0.046677 0.222781 0.167625 32O 1f0 -0.326504 0.350946 0.066105 0.022043 0.008908 -0.082748 32O 1f+1 0.150943 -0.162333 -0.026678 0.000900 0.037757 0.043354 32O 1f-1 -0.435581 0.471482 0.094609 0.073893 0.139682 -0.083798 32O 1f+2 0.150073 -0.160631 -0.033675 -0.038858 -0.061351 0.028647 32O 1f-2 -0.262018 0.284217 0.040697 -0.054807 -0.228527 -0.100766 32O 1f+3 0.078301 -0.083367 -0.011773 0.012899 0.058172 0.035893 32O 1f-3 0.096428 -0.106120 -0.011377 0.033799 0.112166 0.029943 33O 1s 0.000394 0.000751 0.002467 -0.000594 0.002222 -0.003587 33O 2s 0.001599 0.002310 0.008419 -0.002002 0.007569 -0.011050 33O 3s -0.031660 -0.036217 -0.110381 0.025047 -0.082311 0.121721 33O 4s 0.082178 0.117856 0.062790 0.001385 -0.123799 0.024455 33O 5s 0.370979 0.080904 1.279984 -0.328615 1.253539 -1.109177 33O 1pz 0.004654 0.007553 -0.066535 0.013023 -0.054259 0.074347 33O 1px 0.003437 0.004720 0.049467 -0.014885 0.066092 -0.052653 33O 1py 0.002457 -0.002568 -0.024502 0.020487 -0.007727 0.024560 33O 2pz 0.025976 -0.002411 0.303585 -0.057948 0.198820 -0.299541 33O 2px -0.072927 -0.046325 -0.196470 0.058102 -0.211883 0.140286 33O 2py 0.001791 0.023493 0.119723 -0.092413 0.042391 -0.125392 33O 3pz 0.055176 -0.059512 0.491023 -0.093983 0.259437 -0.742648 33O 3px -0.123966 -0.047747 -0.435607 0.183454 -0.393065 0.456725 33O 3py 0.005870 -0.012714 0.118637 -0.219151 0.008450 -0.219579 33O 1dz2 -0.005686 0.098563 -0.153857 0.009744 -0.142246 0.195246 33O 1dxz -0.007104 -0.046905 0.313235 -0.048910 0.282843 -0.397237 33O 1dyz -0.073525 -0.005048 -0.127463 0.103353 -0.200905 0.192844 33O 1dx2y2 0.034034 -0.025481 -0.099969 0.068893 -0.126928 0.134331 33O 1dxy 0.026903 -0.001785 0.099608 -0.127971 0.036724 -0.078260 33O 2dz2 -0.007356 -0.075395 0.235034 -0.002270 0.150993 -0.286087 33O 2dxz -0.018743 0.035288 -0.410985 0.071914 -0.365945 0.502895 33O 2dyz 0.069712 0.037415 0.187289 -0.136423 0.212121 -0.244779 33O 2dx2y2 -0.001595 0.015594 0.100441 -0.077785 0.177356 -0.129703 33O 2dxy -0.027378 -0.027602 -0.153221 0.171899 -0.050251 0.137326 33O 1f0 -0.016894 0.017075 0.002671 0.016307 -0.056506 0.001772 33O 1f+1 0.021076 0.003270 -0.145594 -0.005234 -0.065578 0.174617 33O 1f-1 -0.009810 0.032142 0.042553 -0.016418 -0.004922 -0.037496 33O 1f+2 0.019221 -0.023355 0.074498 -0.024457 0.125514 -0.106945 33O 1f-2 -0.001409 -0.045198 -0.092385 0.075026 -0.034406 0.105333 33O 1f+3 0.013274 -0.018840 -0.002218 -0.010725 0.060245 -0.005569 33O 1f-3 -0.011146 -0.023581 -0.045524 0.059354 -0.013541 0.037536 34O 1s -0.000215 0.000895 -0.003172 0.004289 0.002217 -0.001106 34O 2s -0.001026 0.002902 -0.010546 0.013461 0.007545 -0.003348 34O 3s 0.017525 -0.041620 0.140592 -0.154578 -0.081797 0.038695 34O 4s 0.000717 0.091603 -0.187628 0.044647 -0.117948 -0.030623 34O 5s -0.422270 0.237132 -1.175864 1.294516 1.271654 -0.226280 34O 1pz -0.004530 0.014585 0.011327 -0.010416 0.001559 0.011747 34O 1px 0.012038 -0.011466 0.079582 -0.102277 -0.086686 0.023856 34O 1py -0.002390 0.005817 -0.037480 0.050101 0.016094 0.000938 34O 2pz 0.022333 -0.061930 -0.067125 0.076265 0.010132 -0.059602 34O 2px -0.077160 0.075218 -0.362361 0.367356 0.291907 -0.089043 34O 2py 0.020513 -0.040154 0.188131 -0.240823 -0.074476 0.005683 34O 3pz 0.017614 -0.081392 -0.047137 0.083401 -0.059875 -0.178669 34O 3px -0.124826 0.018331 -0.615899 0.824995 0.442786 -0.194835 34O 3py 0.007379 0.041087 0.229438 -0.427085 -0.004427 -0.020076 34O 1dz2 -0.049905 0.017912 -0.173963 0.277538 0.213443 -0.097032 34O 1dxz -0.007321 0.116050 0.066340 -0.050029 -0.044479 0.091744 34O 1dyz -0.012159 -0.010597 -0.017983 0.090685 0.118385 -0.026140 34O 1dx2y2 -0.012318 0.033912 0.231692 -0.307803 -0.205840 0.080225 34O 1dxy -0.087521 0.028327 -0.219761 0.363653 0.212996 0.021641 34O 2dz2 0.060402 -0.027867 0.235794 -0.345817 -0.261014 0.112306 34O 2dxz 0.023656 -0.127284 -0.123538 0.093720 0.041843 -0.139024 34O 2dyz 0.009525 0.011478 0.030227 -0.088416 -0.120063 0.036865 34O 2dx2y2 -0.014768 -0.027401 -0.283567 0.375848 0.280941 -0.106361 34O 2dxy 0.089761 -0.070719 0.338706 -0.496242 -0.244617 -0.012828 34O 1f0 -0.019548 0.022548 0.038155 -0.000880 0.023424 0.042100 34O 1f+1 0.012543 0.001747 0.088413 -0.122842 -0.094869 0.043972 34O 1f-1 0.002426 0.008948 -0.047875 0.060612 0.020481 -0.008605 34O 1f+2 0.019612 -0.029490 -0.052914 0.038574 -0.005560 -0.055203 34O 1f-2 -0.012906 0.001831 0.024422 -0.012595 0.002474 0.027891 34O 1f+3 0.022124 0.033907 0.030282 -0.074323 -0.112145 0.034561 34O 1f-3 -0.015087 0.055967 -0.148042 0.190709 0.059249 -0.000211 35O 1s -0.001346 0.001528 -0.003824 0.001317 -0.001849 0.003754 35O 2s -0.004452 0.005005 -0.012575 0.004086 -0.006303 0.011557 35O 3s 0.045176 -0.049780 0.161756 -0.044853 0.062663 -0.130491 35O 4s 0.000069 -0.054992 -0.190555 0.014656 0.170030 0.037248 35O 5s -0.310779 0.547779 -1.327799 0.300124 -1.198661 0.977893 35O 1pz -0.011107 0.009993 0.029897 0.003425 0.010399 -0.037484 35O 1px 0.035640 -0.052492 0.084224 -0.022263 0.074750 -0.072267 35O 1py 0.015317 -0.008015 0.047787 -0.024646 0.036366 -0.045996 35O 2pz 0.049002 -0.032159 -0.158907 -0.003572 -0.056909 0.195308 35O 2px -0.096845 0.170171 -0.357955 0.065528 -0.231820 0.239047 35O 2py -0.042618 0.019063 -0.222433 0.102053 -0.128515 0.192952 35O 3pz 0.005587 -0.094653 -0.186858 -0.023148 0.033557 0.389913 35O 3px -0.050265 0.106707 -0.605398 0.117268 -0.391971 0.666628 35O 3py -0.002408 -0.076900 -0.353617 0.257870 -0.125788 0.450377 35O 1dz2 -0.060284 0.011151 -0.159381 0.030402 -0.088415 0.166645 35O 1dxz 0.017712 -0.041644 0.177747 0.019858 0.119405 -0.202387 35O 1dyz 0.046303 -0.107163 0.098701 -0.008182 0.184588 -0.163414 35O 1dx2y2 0.010664 -0.092558 0.173184 0.003245 0.153836 -0.200688 35O 1dxy 0.100801 -0.070916 0.297692 -0.191294 0.279239 -0.332798 35O 2dz2 0.068961 -0.040668 0.199986 -0.048345 0.127709 -0.201966 35O 2dxz 0.001944 0.014820 -0.278925 -0.020986 -0.132683 0.315283 35O 2dyz -0.038661 0.087699 -0.155323 0.014284 -0.191067 0.213204 35O 2dx2y2 -0.028669 0.146023 -0.198611 -0.023118 -0.199322 0.215270 35O 2dxy -0.113154 0.074975 -0.403364 0.243908 -0.332314 0.425976 35O 1f0 -0.015227 0.008111 0.088586 0.012677 0.013541 -0.096538 35O 1f+1 0.039168 -0.061109 0.045237 -0.017008 0.077848 -0.048360 35O 1f-1 0.014741 -0.021621 0.041697 -0.036354 0.052887 -0.057677 35O 1f+2 0.010698 -0.005259 -0.065831 -0.011478 -0.014918 0.074369 35O 1f-2 0.006047 -0.014783 -0.099369 0.000658 -0.012759 0.103917 35O 1f+3 0.011486 -0.074843 -0.014050 0.056759 0.046912 0.000858 35O 1f-3 0.053913 -0.049812 0.129891 -0.074849 0.109919 -0.133261 726 727 728 729 730 731 7.05589 7.07647 7.10893 7.11266 7.12876 7.16138 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s -0.000001 0.000014 0.000076 0.000002 -0.000022 -0.001924 0Rh 2s 0.000086 -0.000083 -0.000543 0.000013 0.000101 0.008680 0Rh 3s 0.000042 0.000035 0.000146 0.000017 -0.000073 -0.006685 0Rh 4s -0.000512 0.000566 0.003670 -0.000098 -0.000716 -0.062525 0Rh 5s 0.001599 -0.001647 -0.011124 0.000672 0.002003 0.179551 0Rh 6s -0.002650 0.001997 0.015439 -0.002170 -0.001845 -0.189046 0Rh 7s 0.007256 -0.000533 -0.048702 0.024190 -0.012106 -0.203844 0Rh 8s 0.002533 -0.018068 0.006255 -0.135273 0.001611 -0.233842 0Rh 1pz 0.000689 -0.000707 0.004954 0.003049 -0.000171 -0.007279 0Rh 1px 0.000561 -0.000369 0.003249 0.000992 0.000404 0.018616 0Rh 1py -0.001424 0.001213 -0.001618 0.005290 -0.000795 0.002868 0Rh 2pz -0.002991 0.003149 -0.020581 -0.012752 0.000730 0.031141 0Rh 2px -0.002428 0.001598 -0.013609 -0.004256 -0.001737 -0.079660 0Rh 2py 0.006121 -0.005119 0.006636 -0.021964 0.003432 -0.012254 0Rh 3pz 0.011844 -0.013754 0.064323 0.041341 -0.002647 -0.114437 0Rh 3px 0.009428 -0.006102 0.044520 0.015940 0.006518 0.293167 0Rh 3py -0.022988 0.017483 -0.019094 0.068410 -0.013113 0.044804 0Rh 4pz -0.021339 0.025284 -0.078014 -0.053010 0.004034 0.180824 0Rh 4px -0.016105 0.009374 -0.057726 -0.026054 -0.010622 -0.465524 0Rh 4py 0.037088 -0.024512 0.019290 -0.082602 0.021152 -0.070875 0Rh 5pz 0.026723 -0.015490 0.052846 0.033935 -0.003092 -0.152958 0Rh 5px 0.015742 -0.003507 0.036989 0.022947 0.009316 0.403916 0Rh 5py -0.030210 0.016734 -0.011419 0.058230 -0.013522 0.063242 0Rh 6pz -0.288661 -0.083021 -0.322432 -0.148063 -0.022934 0.170105 0Rh 6px -0.108573 -0.030348 -0.151097 -0.069030 -0.014933 -0.560229 0Rh 6py 0.132705 -0.037821 0.132129 -0.417863 -0.059273 -0.082576 0Rh 1dz2 -0.000405 -0.000569 -0.002467 -0.000925 -0.009112 0.003093 0Rh 1dxz -0.003381 -0.001831 0.003818 0.002556 -0.000215 0.004129 0Rh 1dyz -0.009220 -0.006276 0.000750 -0.000483 -0.024778 0.001184 0Rh 1dx2y2 -0.002703 -0.001529 0.001782 -0.001468 -0.004038 -0.005796 0Rh 1dxy -0.002442 -0.001377 -0.001420 0.004155 -0.009992 -0.001232 0Rh 2dz2 0.000689 -0.001536 0.002053 0.000948 0.007579 -0.001731 0Rh 2dxz 0.001772 0.001322 -0.002921 -0.002239 -0.000213 -0.002233 0Rh 2dyz 0.006075 -0.000643 -0.000404 0.001305 0.019943 -0.000927 0Rh 2dx2y2 0.001546 0.000442 -0.001464 0.001535 0.003165 0.003001 0Rh 2dxy 0.001939 -0.000980 0.001204 -0.002763 0.007884 0.000505 0Rh 3dz2 -0.001130 0.011746 0.004520 0.000731 0.015810 -0.010124 0Rh 3dxz 0.011419 0.004256 -0.008450 -0.004132 0.002540 -0.013997 0Rh 3dyz 0.024613 0.042315 -0.002632 -0.003973 0.046757 -0.002426 0Rh 3dx2y2 0.008442 0.007127 -0.003370 0.001027 0.008103 0.020325 0Rh 3dxy 0.004783 0.013735 0.002525 -0.011470 0.019716 0.005042 0Rh 4dz2 0.005463 -0.044152 -0.008814 0.000764 -0.016345 0.025161 0Rh 4dxz -0.027863 -0.007354 0.020195 0.007373 -0.009333 0.035933 0Rh 4dyz -0.053223 -0.137155 0.008821 0.017703 -0.060621 0.003773 0Rh 4dx2y2 -0.019864 -0.021034 0.007011 0.001203 -0.011910 -0.052823 0Rh 4dxy -0.007897 -0.047117 -0.005314 0.031427 -0.027668 -0.013898 0Rh 5dz2 -0.011967 0.171908 0.029435 -0.008144 -0.052869 -0.022086 0Rh 5dxz 0.038420 -0.009481 -0.079942 -0.030886 0.027470 -0.039868 0Rh 5dyz 0.065378 0.440836 -0.048868 -0.070925 -0.092694 0.008268 0Rh 5dx2y2 0.026942 0.061459 -0.028482 -0.003810 -0.008835 0.059054 0Rh 5dxy 0.005041 0.155941 0.025029 -0.127298 -0.029698 0.015145 0Rh 1f0 0.001566 0.003182 0.003815 -0.010388 0.003981 0.001455 0Rh 1f+1 0.004103 -0.002410 -0.009768 -0.005574 -0.007797 -0.001669 0Rh 1f-1 0.001065 -0.001587 -0.006332 -0.018451 0.006660 -0.002004 0Rh 1f+2 -0.004273 0.005478 0.018954 0.004859 0.004979 -0.001960 0Rh 1f-2 -0.005580 -0.006621 0.010687 -0.012529 -0.018020 -0.001400 0Rh 1f+3 0.004075 -0.000387 -0.014033 0.007372 0.002522 -0.002684 0Rh 1f-3 0.000154 0.002549 0.005497 -0.012981 0.009285 -0.002336 1Rh 1s -0.000006 -0.000012 -0.000072 0.000002 -0.000020 -0.001928 1Rh 2s 0.000115 0.000079 0.000532 -0.000030 0.000087 0.008704 1Rh 3s 0.000033 -0.000027 -0.000130 -0.000004 -0.000070 -0.006693 1Rh 4s -0.000710 -0.000534 -0.003580 0.000224 -0.000620 -0.062694 1Rh 5s 0.002198 0.001549 0.010816 -0.001033 0.001703 0.180058 1Rh 6s -0.003477 -0.001864 -0.014848 0.002553 -0.001394 -0.189742 1Rh 7s 0.008429 -0.000048 0.043296 -0.023908 -0.012920 -0.202268 1Rh 8s 0.000218 0.016730 -0.004617 0.135952 0.004701 -0.234583 1Rh 1pz -0.000651 -0.000751 0.005048 0.003138 0.000195 0.007264 1Rh 1px -0.000567 -0.000389 0.003122 0.001060 -0.000428 -0.018599 1Rh 1py 0.001455 0.001069 -0.001607 0.005322 0.001024 -0.002953 1Rh 2pz 0.002825 0.003338 -0.020987 -0.013132 -0.000832 -0.031079 1Rh 2px 0.002452 0.001683 -0.013066 -0.004547 0.001840 0.079583 1Rh 2py -0.006258 -0.004499 0.006587 -0.022099 -0.004411 0.012619 1Rh 3pz -0.011212 -0.014474 0.065831 0.042760 0.003029 0.114219 1Rh 3px -0.009501 -0.006430 0.042537 0.017016 -0.006900 -0.292869 1Rh 3py 0.023605 0.015162 -0.018878 0.068891 0.016675 -0.046176 1Rh 4pz 0.020310 0.026465 -0.080420 -0.055265 -0.004635 -0.180508 1Rh 4px 0.016160 0.009955 -0.054608 -0.027755 0.011232 0.465027 1Rh 4py -0.038273 -0.020795 0.018865 -0.083325 -0.026616 0.073051 1Rh 5pz -0.026001 -0.016497 0.054851 0.035568 0.003538 0.152760 1Rh 5px -0.015562 -0.004183 0.034247 0.024291 -0.009853 -0.403484 1Rh 5py 0.031147 0.013871 -0.010967 0.058741 0.017523 -0.064780 1Rh 6pz 0.288671 -0.077094 -0.326855 -0.151564 0.021788 -0.170064 1Rh 6px 0.105386 -0.028861 -0.146097 -0.071357 0.016543 0.559329 1Rh 6py -0.133940 -0.029704 0.127895 -0.415817 0.054570 0.083280 1Rh 1dz2 -0.000283 0.000479 0.002443 0.000938 -0.009123 0.003116 1Rh 1dxz -0.003352 0.001793 -0.003826 -0.002588 -0.000228 0.004112 1Rh 1dyz -0.009269 0.006159 -0.000749 0.000536 -0.024797 0.001200 1Rh 1dx2y2 -0.002635 0.001408 -0.001759 0.001490 -0.004005 -0.005810 1Rh 1dxy -0.002492 0.001435 0.001361 -0.004155 -0.010038 -0.001216 1Rh 2dz2 0.000625 0.001591 -0.002032 -0.000962 0.007581 -0.001743 1Rh 2dxz 0.001752 -0.001308 0.002936 0.002263 -0.000201 -0.002223 1Rh 2dyz 0.006113 0.000726 0.000410 -0.001340 0.019945 -0.000931 1Rh 2dx2y2 0.001521 -0.000370 0.001438 -0.001544 0.003136 0.003011 1Rh 2dxy 0.001973 0.000941 -0.001173 0.002757 0.007915 0.000494 1Rh 3dz2 -0.001548 -0.011484 -0.004487 -0.000733 0.015872 -0.010207 1Rh 3dxz 0.011345 -0.004092 0.008426 0.004201 0.002558 -0.013944 1Rh 3dyz 0.024714 -0.042039 0.002590 0.003837 0.046867 -0.002506 1Rh 3dx2y2 0.008155 -0.006762 0.003363 -0.001114 0.008050 0.020354 1Rh 3dxy 0.004908 -0.013884 -0.002329 0.011498 0.019835 0.004999 1Rh 4dz2 0.006498 0.043546 0.008759 -0.000833 -0.016536 0.025373 1Rh 4dxz -0.027700 0.006908 -0.020112 -0.007490 -0.009356 0.035799 1Rh 4dyz -0.053371 0.136612 -0.008647 -0.017442 -0.060936 0.004015 1Rh 4dx2y2 -0.019085 0.020176 -0.007014 -0.000972 -0.011832 -0.052865 1Rh 4dxy -0.008096 0.047431 0.004837 -0.031546 -0.027968 -0.013798 1Rh 5dz2 -0.013600 -0.171034 -0.029406 0.008445 -0.052305 -0.022443 1Rh 5dxz 0.038187 0.010222 0.079934 0.030849 0.027492 -0.039653 1Rh 5dyz 0.065031 -0.440389 0.048266 0.070831 -0.092128 0.007535 1Rh 5dx2y2 0.025408 -0.060130 0.028267 0.003406 -0.008976 0.058878 1Rh 5dxy 0.004307 -0.156274 -0.024311 0.127667 -0.028726 0.015045 1Rh 1f0 -0.001514 0.003123 0.003862 -0.010400 -0.003867 -0.001544 1Rh 1f+1 -0.004090 -0.002475 -0.009751 -0.005596 0.007830 0.001657 1Rh 1f-1 -0.000886 -0.001737 -0.006248 -0.018338 -0.006468 0.001893 1Rh 1f+2 0.004300 0.005518 0.018834 0.004791 -0.004953 0.001917 1Rh 1f-2 0.005676 -0.006613 0.010727 -0.012586 0.018201 0.001247 1Rh 1f+3 -0.004102 -0.000367 -0.014085 0.007395 -0.002593 0.002777 1Rh 1f-3 -0.000117 0.002549 0.005488 -0.012983 -0.009219 0.002272 2C 1s 0.000446 -0.000251 0.001368 0.002147 0.000363 -0.003521 2C 2s 0.000629 -0.000174 0.000652 0.001142 0.000967 -0.002952 2C 3s -0.020231 0.019642 0.103168 0.163690 -0.069257 -0.130680 2C 4s 0.002524 -0.072997 -0.559687 -0.881850 0.056239 1.018740 2C 5s -0.155143 -0.135610 -0.092608 -0.154948 -1.090180 0.101248 2C 1pz -0.003584 0.003691 0.007226 0.015256 -0.005116 -0.003886 2C 1px -0.003585 0.003626 0.001478 0.006879 -0.003538 -0.000781 2C 1py -0.002795 0.003099 0.008885 0.007031 -0.003751 -0.001605 2C 2pz -0.029229 -0.048119 -0.341698 -0.560815 0.022650 0.637190 2C 2px 0.025954 -0.081531 -0.081377 -0.152337 0.028223 0.156206 2C 2py -0.009199 -0.064251 -0.268675 -0.367040 0.041739 0.420603 2C 3pz -0.042505 -0.017634 -0.014688 -0.030240 -0.298603 0.056898 2C 3px 0.022866 -0.036096 0.038908 0.038220 -0.031771 -0.080646 2C 3py -0.018075 -0.019141 -0.025920 -0.024183 -0.191432 0.059900 2C 1dz2 -0.000165 0.009944 -0.018201 -0.029807 0.011522 0.026583 2C 1dxz -0.001897 -0.027229 -0.012159 -0.015393 0.011161 0.017431 2C 1dyz -0.000871 -0.002009 -0.022639 -0.036161 0.009274 0.036739 2C 1dx2y2 0.001399 0.003279 0.012023 0.020542 -0.008381 -0.018588 2C 1dxy -0.000321 -0.018282 -0.001806 -0.000446 -0.000007 0.005873 2C 2dz2 -0.014050 0.020089 -0.058948 -0.131971 -0.006212 0.146126 2C 2dxz 0.002966 -0.070674 0.010060 -0.006022 -0.038720 0.027142 2C 2dyz -0.002656 -0.020848 -0.149102 -0.205801 0.038503 0.232070 2C 2dx2y2 0.018975 0.000131 0.028154 0.008106 0.057352 -0.063567 2C 2dxy 0.009650 -0.052674 -0.016751 -0.032636 0.012664 0.026312 2C 1f0 -0.002414 0.032738 -0.002355 -0.022260 -0.003100 0.018965 2C 1f+1 -0.008823 -0.025663 -0.006918 -0.016536 -0.020081 0.038781 2C 1f-1 0.001157 0.007889 -0.018499 -0.029039 0.004969 0.028396 2C 1f+2 0.004775 -0.019311 0.024231 0.028550 0.007008 -0.041679 2C 1f-2 0.001887 -0.039427 -0.008277 -0.011157 0.005778 0.015973 2C 1f+3 0.000741 -0.022833 0.004782 0.005610 -0.003417 -0.003235 2C 1f-3 -0.006289 0.008947 -0.012480 -0.009814 -0.016813 0.027705 3C 1s -0.000679 -0.000121 0.002036 -0.001204 -0.000470 -0.003410 3C 2s -0.000987 -0.000140 0.001036 -0.000394 -0.001079 -0.002785 3C 3s 0.018602 -0.008599 0.166616 -0.106748 0.065411 -0.135882 3C 4s 0.008922 0.089732 -0.880880 0.550418 -0.022415 1.012567 3C 5s 0.219075 -0.080158 -0.096050 0.084223 1.095330 0.065506 3C 1pz 0.003722 0.000490 0.003728 -0.008660 0.002051 -0.000792 3C 1px -0.003735 -0.002831 0.008089 -0.003238 0.003303 -0.003487 3C 1py -0.004962 -0.000137 -0.016678 0.008747 -0.005719 0.004951 3C 2pz -0.017776 0.009611 -0.301127 0.238210 -0.024442 0.342646 3C 2px 0.072679 0.095024 -0.252487 0.134380 -0.018708 0.271092 3C 2py 0.003460 -0.042656 0.563124 -0.346000 -0.001029 -0.630003 3C 3pz 0.034672 -0.003479 -0.039877 0.047089 0.189540 0.099493 3C 3px 0.018854 0.010301 0.018971 -0.029077 0.085000 -0.029752 3C 3py -0.040506 0.018657 0.005163 -0.001844 -0.290160 -0.019226 3C 1dz2 0.001983 -0.008098 0.001651 -0.001574 0.000791 -0.003055 3C 1dxz -0.001493 0.015150 -0.017571 0.009596 -0.006123 0.016131 3C 1dyz -0.002509 0.009833 0.028692 -0.018131 0.003353 -0.031028 3C 1dx2y2 -0.002542 0.011424 0.034330 -0.022688 0.015283 -0.031062 3C 1dxy 0.002239 -0.023306 0.024237 -0.014484 0.008730 -0.022129 3C 2dz2 -0.000174 -0.021128 0.053342 0.001171 0.018967 -0.026831 3C 2dxz -0.000865 0.043347 -0.018642 0.020934 0.042717 0.054223 3C 2dyz 0.002100 0.008463 0.196147 -0.150355 0.034287 -0.215063 3C 2dx2y2 0.009872 0.022964 0.096127 -0.054634 -0.033906 -0.125711 3C 2dxy -0.023433 -0.070901 0.092481 -0.038164 -0.006989 -0.104690 3C 1f0 0.004155 -0.005406 0.009671 -0.002523 0.008995 -0.000402 3C 1f+1 0.009179 -0.002869 -0.007092 0.010596 0.012504 0.021704 3C 1f-1 0.000274 0.014498 -0.006156 -0.009306 -0.004235 -0.000044 3C 1f+2 0.003424 0.027811 0.026051 -0.023362 0.011139 -0.025535 3C 1f-2 -0.004320 -0.021161 0.026555 -0.017517 -0.007529 -0.039347 3C 1f+3 0.006531 0.036121 -0.021393 0.007114 0.016777 0.035260 3C 1f-3 -0.009083 0.035861 0.019550 -0.010694 -0.017865 -0.034081 4C 1s 0.003827 0.003565 0.018405 0.029764 -0.012952 -0.029445 4C 2s 0.006904 0.010640 0.047763 0.077258 -0.040589 -0.070303 4C 3s 0.020430 -0.107991 -0.340965 -0.548230 0.310212 0.441452 4C 4s -0.379275 0.023825 -0.655859 -1.093146 0.631174 1.349908 4C 5s -0.073599 -0.005604 -0.406769 -0.679484 0.505604 0.571292 4C 1pz -0.004293 -0.061479 -0.073353 -0.117336 0.077788 0.102338 4C 1px -0.028535 0.126903 -0.012278 -0.021948 -0.005830 0.012804 4C 1py -0.013793 0.010777 -0.048172 -0.082230 0.045352 0.067794 4C 2pz -0.062695 -0.240556 -0.749592 -1.250339 0.590760 1.193693 4C 2px -0.003692 0.350266 -0.151977 -0.196476 0.032809 0.208001 4C 2py -0.033701 -0.017119 -0.538906 -0.789364 0.362965 0.789218 4C 3pz -0.121075 -0.113279 -0.133858 -0.188536 -0.933991 0.204197 4C 3px -0.090141 0.136894 -0.044094 0.041981 -0.231843 0.062208 4C 3py -0.106983 -0.028263 -0.039076 -0.127697 -0.655755 0.122496 4C 1dz2 0.022500 -0.052155 0.030624 0.058714 0.008882 -0.067911 4C 1dxz 0.016389 0.102068 0.066482 0.106867 -0.047727 -0.122989 4C 1dyz 0.005688 -0.010182 -0.020050 -0.036924 0.049869 0.018759 4C 1dx2y2 -0.038189 -0.006503 -0.109471 -0.168652 0.053620 0.183748 4C 1dxy -0.011594 0.064496 -0.051269 -0.085714 0.030029 0.081737 4C 2dz2 0.056340 -0.002850 0.118432 0.092596 0.226851 -0.321841 4C 2dxz 0.121565 -0.023239 0.114039 0.127725 0.167296 -0.343075 4C 2dyz 0.027268 -0.002141 0.050642 0.127364 0.176648 -0.300098 4C 2dx2y2 -0.135424 0.017778 -0.059717 -0.162711 -0.279007 0.404324 4C 2dxy 0.011185 0.005544 0.000702 -0.010728 -0.067011 0.048208 4C 1f0 0.004989 -0.091373 -0.021618 -0.000129 0.020262 0.021576 4C 1f+1 0.007889 0.075687 -0.034802 -0.032460 0.012991 0.019362 4C 1f-1 0.001075 -0.045224 -0.059087 -0.094390 0.067782 0.066756 4C 1f+2 -0.013067 0.069798 0.036853 0.041266 -0.041759 -0.041623 4C 1f-2 0.017289 0.098481 -0.004721 -0.062461 0.018369 0.018030 4C 1f+3 0.011781 0.082885 -0.025833 -0.016522 0.003339 0.005999 4C 1f-3 0.003741 0.007718 0.017502 -0.028124 0.008614 0.008911 5C 1s -0.003932 -0.003310 0.029789 -0.017161 0.011765 -0.029101 5C 2s -0.007197 -0.006725 0.077944 -0.045558 0.037745 -0.070056 5C 3s -0.005836 0.011928 -0.570733 0.347508 -0.292538 0.449722 5C 4s 0.331385 0.246063 -1.010671 0.527246 -0.573615 1.309831 5C 5s 0.031480 0.098202 -0.659714 0.403312 -0.491140 0.571192 5C 1pz 0.025534 0.045014 -0.080190 0.033627 -0.042480 0.063267 5C 1px -0.047721 -0.124234 -0.030734 0.051891 -0.022407 0.036428 5C 1py -0.023386 -0.030783 0.121126 -0.064356 0.067248 -0.099820 5C 2pz 0.064115 0.202528 -0.741806 0.402085 -0.310399 0.706726 5C 2px -0.120330 -0.302850 -0.337342 0.469406 -0.186573 0.417832 5C 2py -0.059669 -0.195289 1.241638 -0.688505 0.521987 -1.184561 5C 3pz 0.141120 0.021000 -0.111095 -0.012895 0.557006 0.075769 5C 3px -0.076182 -0.126289 -0.015767 0.129429 0.385442 0.060926 5C 3py -0.180627 0.002210 0.121924 -0.115822 -0.946287 -0.173945 5C 1dz2 -0.011382 0.018663 0.096461 -0.068284 0.040073 -0.103532 5C 1dxz -0.031837 -0.064894 0.108562 -0.051132 0.025955 -0.113320 5C 1dyz -0.005873 -0.048705 0.082077 -0.034719 0.060768 -0.062954 5C 1dx2y2 0.028841 -0.030017 -0.145730 0.091030 -0.027813 0.166261 5C 1dxy 0.026058 0.096827 -0.047030 0.002593 0.001018 0.047652 5C 2dz2 -0.070461 -0.016859 0.035520 0.042852 -0.089272 -0.090402 5C 2dxz -0.045629 -0.038637 0.110469 -0.032707 -0.213816 -0.284374 5C 2dyz 0.042694 0.014226 -0.073867 0.016988 0.123906 0.172848 5C 2dx2y2 0.171325 0.083698 -0.141390 0.120217 0.347769 0.471113 5C 2dxy -0.017135 0.019884 -0.110262 0.064576 0.160413 0.265553 5C 1f0 -0.001318 0.029313 0.052798 -0.041736 0.033603 -0.041327 5C 1f+1 -0.002189 -0.024371 -0.020242 -0.025266 -0.004655 0.004493 5C 1f-1 0.014859 -0.046633 0.005773 -0.007165 0.008396 -0.001372 5C 1f+2 0.033996 -0.096496 0.070553 -0.021156 0.050059 -0.035821 5C 1f-2 -0.007591 0.043987 0.061392 -0.045196 0.037558 -0.045313 5C 1f+3 0.024020 -0.101244 -0.068627 0.042245 -0.030286 0.053186 5C 1f-3 0.035764 -0.098012 0.016986 -0.040009 0.026197 -0.018130 6C 1s -0.004116 0.003286 -0.029786 0.017120 0.011987 -0.029063 6C 2s -0.007731 0.006700 -0.077914 0.045434 0.038236 -0.069915 6C 3s 0.000123 -0.012724 0.571057 -0.346703 -0.294754 0.447895 6C 4s 0.327864 -0.241149 1.008286 -0.525356 -0.584678 1.311250 6C 5s 0.032675 -0.095131 0.658377 -0.401366 -0.494461 0.568227 6C 1pz -0.025872 0.045048 -0.080055 0.033604 0.042928 -0.063009 6C 1px 0.046631 -0.124364 -0.030813 0.051302 0.022874 -0.036643 6C 1py 0.024193 -0.030724 0.121011 -0.064228 -0.068047 0.099588 6C 2pz -0.066702 0.204129 -0.742036 0.403125 0.313477 -0.704700 6C 2px 0.116398 -0.308255 -0.336449 0.464192 0.188314 -0.417786 6C 2py 0.064347 -0.196337 1.241869 -0.688373 -0.527429 1.181695 6C 3pz -0.141116 0.021473 -0.112524 -0.008316 -0.557319 -0.076956 6C 3px 0.074921 -0.129846 -0.015296 0.128923 -0.384305 -0.062551 6C 3py 0.179859 0.003469 0.123860 -0.122120 0.944849 0.175511 6C 1dz2 -0.011896 -0.018797 -0.096369 0.068037 0.041017 -0.103481 6C 1dxz -0.032472 0.064705 -0.108640 0.051147 0.027166 -0.113365 6C 1dyz -0.006065 0.048838 -0.081976 0.034616 0.061032 -0.062652 6C 1dx2y2 0.029792 0.030483 0.145759 -0.090713 -0.029542 0.166417 6C 1dxy 0.025762 -0.096779 0.046922 -0.002618 0.000435 0.047473 6C 2dz2 -0.068813 0.016578 -0.035891 -0.042541 -0.088286 -0.090873 6C 2dxz -0.045926 0.036388 -0.111712 0.032946 -0.211796 -0.285596 6C 2dyz 0.043119 -0.014348 0.075440 -0.017713 0.123485 0.172904 6C 2dx2y2 0.170240 -0.081922 0.143007 -0.121537 0.344619 0.471974 6C 2dxy -0.016977 -0.018742 0.111658 -0.064055 0.158321 0.266228 6C 1f0 0.001480 0.028680 0.052896 -0.042088 -0.033786 0.041183 6C 1f+1 0.002064 -0.023682 -0.020501 -0.025224 0.004693 -0.004528 6C 1f-1 -0.014704 -0.046227 0.005626 -0.006816 -0.008274 0.001245 6C 1f+2 -0.033632 -0.095800 0.070188 -0.020092 -0.049963 0.035409 6C 1f-2 0.008323 0.043542 0.061532 -0.045360 -0.037716 0.045167 6C 1f+3 -0.025128 -0.100280 -0.069017 0.043247 0.030612 -0.053139 6C 1f-3 -0.035092 -0.097121 0.016739 -0.038927 -0.026120 0.017700 7C 1s 0.004008 -0.003496 -0.018468 -0.029630 -0.013126 -0.029438 7C 2s 0.007466 -0.010486 -0.047916 -0.076911 -0.040968 -0.070313 7C 3s 0.013356 0.107633 0.342077 0.546395 0.311937 0.442374 7C 4s -0.371447 -0.028375 0.658765 1.084827 0.640201 1.346455 7C 5s -0.072391 0.003999 0.407542 0.676844 0.508852 0.573265 7C 1pz 0.005361 -0.061441 -0.073620 -0.116617 -0.078537 -0.102335 7C 1px 0.028611 0.128017 -0.012292 -0.021742 0.006088 -0.012460 7C 1py 0.014515 0.011135 -0.048499 -0.081913 -0.045798 -0.067847 7C 2pz 0.067188 -0.241680 -0.748295 -1.243029 -0.593775 -1.192369 7C 2px 0.005377 0.358928 -0.153488 -0.197866 -0.029922 -0.205597 7C 2py 0.036796 -0.014960 -0.541843 -0.790883 -0.366677 -0.792736 7C 3pz 0.119957 -0.113671 -0.129358 -0.191685 0.928795 -0.201615 7C 3px 0.088345 0.143479 -0.045641 0.039631 0.232218 -0.061628 7C 3py 0.106322 -0.026943 -0.037577 -0.131592 0.655770 -0.122512 7C 1dz2 0.022857 0.052533 -0.030796 -0.058624 0.008067 -0.067918 7C 1dxz 0.016671 -0.101955 -0.066866 -0.106447 -0.048862 -0.123056 7C 1dyz 0.005409 0.010375 0.020232 0.036878 0.049849 0.018992 7C 1dx2y2 -0.039056 0.006068 0.109805 0.167765 0.054849 0.183498 7C 1dxy -0.011854 -0.065200 0.051176 0.085148 0.030367 0.081445 7C 2dz2 0.055669 0.002720 -0.117933 -0.090739 0.224947 -0.319288 7C 2dxz 0.120053 0.026214 -0.115999 -0.127661 0.165144 -0.341794 7C 2dyz 0.028012 0.002318 -0.052295 -0.127681 0.175682 -0.300974 7C 2dx2y2 -0.134064 -0.019002 0.061198 0.163168 -0.276761 0.404711 7C 2dxy 0.012543 -0.004620 -0.002253 0.009387 -0.066441 0.047270 7C 1f0 -0.004658 -0.089635 -0.022206 -0.000187 -0.019541 -0.021206 7C 1f+1 -0.006926 0.074552 -0.033935 -0.031132 -0.013029 -0.018975 7C 1f-1 -0.000172 -0.045069 -0.059331 -0.094269 -0.067726 -0.066958 7C 1f+2 0.012134 0.068780 0.038029 0.042232 0.041967 0.042293 7C 1f-2 -0.016823 0.097134 -0.003690 -0.061404 -0.018632 -0.017944 7C 1f+3 -0.012026 0.082035 -0.024789 -0.015615 -0.003757 -0.005813 7C 1f-3 -0.002952 0.007229 0.017377 -0.028052 -0.008912 -0.009302 8C 1s -0.000699 0.000111 -0.002046 0.001201 -0.000450 -0.003412 8C 2s -0.001003 0.000130 -0.001047 0.000392 -0.001059 -0.002792 8C 3s 0.017406 0.008858 -0.166753 0.106848 0.065542 -0.135233 8C 4s 0.014640 -0.089444 0.883326 -0.551346 -0.025501 1.010409 8C 5s 0.219567 0.079795 0.098838 -0.091325 1.094687 0.068838 8C 1pz -0.003660 0.000450 0.003717 -0.008685 -0.002021 0.000785 8C 1px 0.003673 -0.002967 0.008176 -0.003421 -0.003343 0.003471 8C 1py 0.004856 -0.000046 -0.016646 0.008737 0.005626 -0.004845 8C 2pz 0.015547 0.009496 -0.301486 0.237975 0.024921 -0.341970 8C 2px -0.073011 0.096068 -0.254062 0.136364 0.020198 -0.271228 8C 2py -0.000235 -0.042427 0.564767 -0.345930 -0.001548 0.628573 8C 3pz -0.034455 -0.004116 -0.040027 0.047769 -0.188231 -0.099525 8C 3px -0.018461 0.010813 0.019412 -0.028772 -0.085021 0.031239 8C 3py 0.040893 0.018742 0.006130 -0.003975 0.290490 0.021109 8C 1dz2 0.001977 0.008026 -0.001644 0.001537 0.000771 -0.003062 8C 1dxz -0.001368 -0.015031 0.017582 -0.009467 -0.006185 0.016076 8C 1dyz -0.002730 -0.009806 -0.028834 0.018236 0.003572 -0.030980 8C 1dx2y2 -0.002801 -0.011309 -0.034352 0.022690 0.015380 -0.030980 8C 1dxy 0.002082 0.023221 -0.024222 0.014347 0.008787 -0.022040 8C 2dz2 -0.000614 0.021281 -0.053917 -0.000953 0.019089 -0.026950 8C 2dxz -0.000677 -0.043063 0.018296 -0.020546 0.043070 0.053735 8C 2dyz 0.000660 -0.008545 -0.196940 0.150503 0.035948 -0.214856 8C 2dx2y2 0.009385 -0.023164 -0.096558 0.054590 -0.033657 -0.126037 8C 2dxy -0.023160 0.071280 -0.092381 0.038407 -0.006953 -0.103947 8C 1f0 -0.004184 -0.005620 0.009549 -0.002468 -0.008819 0.000271 8C 1f+1 -0.009241 -0.002967 -0.007057 0.010622 -0.012363 -0.021655 8C 1f-1 -0.000212 0.014531 -0.006085 -0.009385 0.004050 0.000120 8C 1f+2 -0.003095 0.027783 0.026010 -0.023371 -0.011243 0.025407 8C 1f-2 0.004506 -0.020988 0.026800 -0.017567 0.007198 0.039453 8C 1f+3 -0.006585 0.035807 -0.021444 0.007045 -0.016635 -0.035211 8C 1f-3 0.009257 0.035951 0.019872 -0.010891 0.017315 0.034276 9C 1s 0.000466 0.000256 -0.001370 -0.002134 0.000343 -0.003512 9C 2s 0.000644 0.000175 -0.000662 -0.001124 0.000944 -0.002939 9C 3s -0.019152 -0.019756 -0.102840 -0.163602 -0.069238 -0.131126 9C 4s -0.002405 0.072726 0.559347 0.880816 0.058397 1.019821 9C 5s -0.156167 0.135614 0.089769 0.159127 -1.086431 0.097473 9C 1pz 0.003470 0.003695 0.007125 0.015250 0.005021 0.003903 9C 1px 0.003551 0.003829 0.001327 0.006790 0.003645 0.000783 9C 1py 0.002778 0.003183 0.008899 0.007215 0.003727 0.001707 9C 2pz 0.032701 -0.046956 -0.341967 -0.559209 -0.024356 -0.635880 9C 2px -0.025354 -0.083502 -0.080243 -0.151185 -0.030068 -0.155903 9C 2py 0.011662 -0.064124 -0.270207 -0.368327 -0.041567 -0.423761 9C 3pz 0.042543 -0.017253 -0.014721 -0.032505 0.297620 -0.057909 9C 3px -0.022179 -0.037259 0.039966 0.038607 0.031158 0.081435 9C 3py 0.017857 -0.019322 -0.024249 -0.022988 0.191184 -0.056639 9C 1dz2 -0.000445 -0.009900 0.018012 0.029436 0.011402 0.026464 9C 1dxz -0.002077 0.027020 0.012307 0.015309 0.010967 0.017406 9C 1dyz -0.001140 0.001997 0.022770 0.036217 0.009552 0.036850 9C 1dx2y2 0.001544 -0.003284 -0.012169 -0.020623 -0.008633 -0.018727 9C 1dxy -0.000313 0.018093 0.001969 0.000619 0.000057 0.005889 9C 2dz2 -0.014830 -0.020691 0.059238 0.131901 -0.005588 0.146128 9C 2dxz 0.002765 0.070925 -0.011069 0.004788 -0.039459 0.026255 9C 2dyz -0.003969 0.020867 0.149441 0.205735 0.039129 0.232510 9C 2dx2y2 0.018935 0.000421 -0.028605 -0.008407 0.057915 -0.063552 9C 2dxy 0.009629 0.053340 0.016607 0.032636 0.013588 0.026015 9C 1f0 0.002539 0.032451 -0.002091 -0.021942 0.002914 -0.018798 9C 1f+1 0.008839 -0.025189 -0.007103 -0.016628 0.019641 -0.038679 9C 1f-1 -0.000937 0.008051 -0.018328 -0.028975 -0.004974 -0.028361 9C 1f+2 -0.004842 -0.019244 0.024350 0.028839 -0.006529 0.041904 9C 1f-2 -0.001685 -0.039543 -0.008155 -0.010990 -0.005461 -0.015993 9C 1f+3 -0.000738 -0.023211 0.004710 0.005525 0.003382 0.003193 9C 1f-3 0.006371 0.008934 -0.012431 -0.009585 0.016805 -0.027601 10H 1s 0.001355 -0.018206 0.016307 0.026520 -0.014628 -0.020805 10H 2s -0.025799 -0.007173 0.025058 0.044203 -0.036487 -0.028616 10H 3s -0.002613 0.010357 -0.012835 -0.011164 0.004106 0.074587 10H 1pz -0.008222 -0.002034 0.002783 0.005415 -0.010330 -0.000208 10H 1px 0.000295 0.012655 -0.007672 -0.013475 -0.002882 0.018468 10H 1py -0.004956 -0.000184 0.001456 0.005670 -0.010164 0.001565 11H 1s -0.001006 -0.001596 -0.005313 -0.011671 -0.000723 0.011047 11H 2s 0.000380 0.006875 -0.006607 0.003404 0.004987 0.004470 11H 3s 0.015527 0.012241 0.049473 0.071207 0.027716 -0.064578 11H 1pz -0.000097 0.001374 0.013685 0.019209 -0.013712 -0.015833 11H 1px -0.001176 0.001275 -0.004490 -0.007806 0.002248 0.007667 11H 1py 0.002453 -0.000494 0.011698 0.013141 -0.002849 -0.018267 12H 1s 0.001335 0.003312 0.001771 -0.001951 -0.004639 0.000344 12H 2s 0.001848 -0.004357 -0.015819 -0.014083 0.036922 0.002773 12H 3s 0.019229 0.020730 0.033142 0.052888 0.013775 -0.018810 12H 1pz -0.000094 -0.002495 0.006477 0.016187 -0.008848 -0.012498 12H 1px 0.000491 -0.002394 -0.008264 -0.011396 0.011936 0.005367 12H 1py -0.000246 0.000860 0.000331 0.004428 0.001260 -0.006113 13H 1s -0.004981 0.015222 0.022495 -0.016744 0.013082 -0.021520 13H 2s -0.034606 -0.001673 0.042351 -0.012513 0.018361 -0.037107 13H 3s 0.009395 0.027827 -0.011431 0.005527 0.002705 0.067800 13H 1pz -0.007312 0.004096 0.013161 -0.004225 0.006503 -0.011919 13H 1px 0.008995 -0.004939 -0.004638 0.002740 0.009468 0.014477 13H 1py 0.004164 0.002197 -0.003231 -0.001570 -0.006762 -0.000100 14H 1s 0.006064 -0.007041 0.003112 -0.005790 0.006855 -0.002467 14H 2s 0.009042 -0.000430 -0.021153 0.018889 -0.032749 0.004258 14H 3s -0.024968 0.001485 0.042584 -0.029729 -0.014952 -0.003438 14H 1pz 0.002238 -0.003082 0.010222 -0.004549 0.005836 -0.008562 14H 1px 0.004261 -0.002475 -0.010914 0.007806 -0.012086 0.002880 14H 1py -0.002715 -0.005168 -0.008704 0.003748 -0.006092 0.006252 15H 1s 0.006637 0.001546 -0.013813 0.005108 0.000861 0.013595 15H 2s -0.007075 0.000746 0.007774 0.007653 0.009870 0.000336 15H 3s -0.028252 -0.003417 0.068721 -0.050541 -0.038934 -0.070948 15H 1pz -0.002907 -0.000863 0.017173 -0.014146 0.001529 -0.022349 15H 1px 0.001267 -0.001667 0.000794 -0.002356 0.000813 -0.002770 15H 1py 0.000475 0.000505 -0.018875 0.012974 -0.016765 0.015352 16H 1s 0.595702 0.544798 -0.020821 -0.003755 -0.050762 -0.067535 16H 2s 0.863277 0.725979 -0.022278 0.044396 -0.164673 -0.065576 16H 3s -0.143453 -0.124839 0.035027 0.051331 -0.008143 0.033603 16H 1pz 0.548164 0.481714 -0.006348 0.023762 -0.078493 -0.057276 16H 1px -0.019191 -0.018138 -0.005050 -0.022848 0.018490 0.007034 16H 1py 0.232142 0.205742 -0.016376 0.016560 -0.031869 -0.029832 17H 1s -0.626499 -0.524926 -0.003532 0.141822 0.056799 -0.064354 17H 2s -0.908675 -0.708858 0.019004 0.249954 0.157180 -0.061560 17H 3s 0.144538 0.128463 -0.040791 -0.007308 0.006018 0.036699 17H 1pz 0.379232 0.310226 0.002791 -0.085862 -0.042163 0.034249 17H 1px 0.373235 0.297429 0.014309 -0.109778 -0.062268 0.038529 17H 1py -0.337152 -0.262938 0.001084 0.094471 0.047023 -0.036405 18H 1s -0.631181 0.518964 0.001837 -0.147008 0.055783 -0.064326 18H 2s -0.913784 0.702407 -0.027125 -0.259795 0.152061 -0.060796 18H 3s 0.145927 -0.126674 0.041180 0.009448 0.005570 0.036664 18H 1pz -0.391064 0.314575 0.001092 -0.092076 0.041961 -0.035444 18H 1px -0.376149 0.294857 0.011504 -0.113626 0.060767 -0.038545 18H 1py 0.327671 -0.250296 0.003013 0.094205 -0.044614 0.035347 19H 1s 0.602121 -0.541244 0.016517 0.009809 -0.050226 -0.067685 19H 2s 0.873772 -0.718486 0.009966 -0.034687 -0.166011 -0.065500 19H 3s -0.144623 0.124111 -0.033488 -0.053646 -0.008540 0.033689 19H 1pz -0.549006 0.472654 -0.000334 0.017495 0.077999 0.056277 19H 1px 0.023997 -0.021852 -0.005818 -0.022644 -0.019010 -0.007700 19H 1py -0.247120 0.215328 -0.013910 0.014449 0.033278 0.031433 20H 1s 0.006751 -0.001528 0.013727 -0.005066 0.000799 0.013466 20H 2s -0.007246 -0.000647 -0.006988 -0.007841 0.008531 0.000557 20H 3s -0.028371 0.003501 -0.069082 0.050703 -0.037777 -0.070665 20H 1pz 0.002956 -0.000778 0.017245 -0.014131 -0.001880 0.022241 20H 1px -0.001233 -0.001606 0.000523 -0.002186 -0.000628 0.002551 20H 1py -0.000685 0.000539 -0.018694 0.012886 0.016481 -0.015241 21H 1s 0.006028 0.006719 -0.002799 0.005451 0.006755 -0.002119 21H 2s 0.008312 0.000138 0.021368 -0.019330 -0.033230 0.004368 21H 3s -0.025153 -0.001301 -0.043347 0.030589 -0.015191 -0.004652 21H 1pz -0.002040 -0.002983 0.010205 -0.004421 -0.005773 0.008529 21H 1px -0.004172 -0.002265 -0.010990 0.007985 0.012130 -0.003012 21H 1py 0.002569 -0.005091 -0.009014 0.003844 0.006095 -0.006562 22H 1s -0.005132 -0.015316 -0.022748 0.016889 0.013370 -0.021638 22H 2s -0.034790 0.002223 -0.043237 0.013764 0.019723 -0.037556 22H 3s 0.009191 -0.027425 0.011823 -0.005915 0.001924 0.068558 22H 1pz 0.007342 0.003930 0.013206 -0.004397 -0.006704 0.011826 22H 1px -0.009049 -0.005031 -0.005021 0.003058 -0.009112 -0.014846 22H 1py -0.004141 0.002290 -0.003374 -0.001296 0.006913 0.000065 23H 1s 0.001245 -0.002812 -0.001459 0.002336 -0.004306 0.000825 23H 2s 0.001733 0.004128 0.015698 0.013818 0.036205 0.003266 23H 3s 0.019562 -0.020508 -0.033929 -0.054223 0.014168 -0.020557 23H 1pz -0.000089 -0.002388 0.006816 0.016650 0.008971 0.013123 23H 1px -0.000334 -0.002379 -0.008242 -0.011198 -0.011693 -0.005467 23H 1py 0.000287 0.000737 0.000314 0.004514 -0.001017 0.005959 24H 1s -0.001029 0.001611 0.005209 0.011170 -0.000719 0.010667 24H 2s 0.000578 -0.006742 0.007324 -0.002248 0.006647 0.004730 24H 3s 0.015506 -0.012383 -0.049279 -0.070597 0.026369 -0.062923 24H 1pz -0.000102 0.001323 0.013517 0.018858 0.013325 0.015760 24H 1px 0.001151 0.001186 -0.004808 -0.008153 -0.002854 -0.007835 24H 1py -0.002455 -0.000643 0.011627 0.012817 0.002962 0.017827 25H 1s 0.001539 0.018277 -0.016288 -0.026565 -0.014902 -0.021004 25H 2s -0.025914 0.005661 -0.024700 -0.044418 -0.038052 -0.029056 25H 3s -0.001724 -0.010302 0.013165 0.011567 0.004327 0.075546 25H 1pz 0.008316 -0.001792 0.002699 0.005553 0.010672 0.000389 25H 1px -0.000307 0.012431 -0.007596 -0.013573 0.002482 -0.018619 25H 1py 0.004930 0.000237 0.001117 0.005201 0.010087 -0.001925 26O 1s 0.000859 -0.000702 0.004969 0.008251 -0.003618 -0.007137 26O 2s 0.003022 -0.002859 0.015308 0.025368 -0.010242 -0.022438 26O 3s -0.042812 0.032899 -0.172781 -0.285251 0.094780 0.268045 26O 4s 0.099453 0.062666 0.228628 0.385302 0.014542 -0.448070 26O 5s 0.180366 -0.651675 0.662151 0.975987 -0.042446 -1.213512 26O 1pz 0.017579 0.009829 -0.002885 -0.015705 0.037842 -0.028642 26O 1px 0.013773 -0.030101 0.097189 0.152620 -0.082184 -0.123912 26O 1py 0.018997 -0.002048 0.025820 0.052091 -0.008085 -0.063349 26O 2pz -0.068582 -0.050207 -0.001668 0.059019 -0.154454 0.128023 26O 2px -0.076037 0.118882 -0.329966 -0.503289 0.184182 0.484058 26O 2py -0.081626 0.004186 -0.078377 -0.177850 -0.025486 0.256366 26O 3pz -0.050724 -0.103238 -0.020080 -0.072389 0.048685 0.074314 26O 3px -0.072014 0.128449 -0.368118 -0.590039 0.214083 0.683528 26O 3py -0.103861 -0.006858 -0.202280 -0.229463 0.111318 0.297364 26O 1dz2 0.011365 0.000465 0.124124 0.248789 -0.175632 -0.172042 26O 1dxz -0.069774 0.076089 0.006636 0.050299 -0.181765 0.107309 26O 1dyz -0.028515 0.111004 0.005479 -0.004524 -0.105695 0.071815 26O 1dx2y2 0.006663 0.025775 -0.225024 -0.320284 0.284977 0.204932 26O 1dxy -0.077809 0.104434 -0.154353 -0.263728 0.085279 0.265096 26O 2dz2 -0.027787 0.027119 -0.169104 -0.319860 0.199567 0.249202 26O 2dxz 0.087535 -0.031427 0.007560 -0.058133 0.222592 -0.160216 26O 2dyz 0.035609 -0.094060 0.006250 0.010051 0.116818 -0.097989 26O 2dx2y2 0.000215 -0.078767 0.293499 0.414271 -0.335969 -0.289926 26O 2dxy 0.108123 -0.114426 0.201329 0.357953 -0.097280 -0.381285 26O 1f0 0.022634 0.034120 0.016187 -0.001001 0.042256 -0.052709 26O 1f+1 0.007534 -0.062182 0.061212 0.112006 -0.065154 -0.081678 26O 1f-1 0.013576 -0.028518 0.017350 0.042020 0.008041 -0.040033 26O 1f+2 -0.020497 -0.012386 -0.001077 0.023639 -0.062712 0.032992 26O 1f-2 -0.021648 -0.052047 -0.029633 -0.030303 -0.011807 0.068565 26O 1f+3 -0.019511 -0.057182 0.063536 0.073941 -0.080726 -0.030046 26O 1f-3 0.030918 -0.035169 0.100150 0.169566 -0.077890 -0.151729 27O 1s -0.000033 0.000994 0.008103 -0.005324 0.003710 -0.007148 27O 2s -0.000778 0.003242 0.024718 -0.016377 0.010517 -0.022459 27O 3s 0.022757 -0.025273 -0.275334 0.184823 -0.098727 0.267771 27O 4s -0.132567 -0.125044 0.377180 -0.228788 -0.004638 -0.450380 27O 5s -0.074671 0.528390 0.851529 -0.801052 0.047187 -1.181348 27O 1pz -0.006102 -0.018120 -0.024735 0.025483 -0.034125 0.002208 27O 1px -0.003492 0.034353 0.155444 -0.104127 0.080468 -0.138365 27O 1py 0.006420 0.013790 -0.000977 0.006611 0.026980 0.038407 27O 2pz 0.009178 0.070345 0.078056 -0.094401 0.122040 -0.002117 27O 2px 0.066705 -0.084683 -0.500856 0.349696 -0.172258 0.535885 27O 2py -0.023272 -0.075044 -0.007905 -0.033728 -0.129230 -0.158358 27O 3pz -0.021391 0.079388 0.036435 0.019375 -0.000568 -0.037892 27O 3px -0.025297 -0.063793 -0.586244 0.495536 -0.235966 0.732120 27O 3py 0.054996 -0.094412 0.174991 -0.082192 0.087902 -0.153450 27O 1dz2 0.027453 0.088015 0.203839 -0.178301 0.116004 -0.198219 27O 1dxz 0.026209 -0.007727 0.124232 -0.099775 0.193698 -0.020889 27O 1dyz 0.014011 0.070130 -0.007747 0.003575 -0.041705 -0.008174 27O 1dx2y2 -0.056499 -0.082860 -0.411466 0.255907 -0.312173 0.298860 27O 1dxy 0.001593 0.089770 0.034924 -0.061222 -0.123077 -0.166356 27O 2dz2 -0.018171 -0.097769 -0.274147 0.227949 -0.138489 0.282397 27O 2dxz -0.014867 -0.035044 -0.146013 0.129467 -0.234084 0.028707 27O 2dyz -0.016985 -0.071864 0.002926 -0.001227 0.038019 0.006224 27O 2dx2y2 0.032605 0.121839 0.525638 -0.335082 0.363344 -0.426279 27O 2dxy -0.008439 -0.040722 -0.057135 0.098931 0.151894 0.236476 27O 1f0 -0.004719 -0.047285 -0.023046 0.032663 -0.035920 0.004291 27O 1f+1 0.001717 0.030961 0.131861 -0.092100 0.068017 -0.121558 27O 1f-1 -0.002373 0.015100 -0.022987 0.018862 0.007639 0.033636 27O 1f+2 0.002399 0.043157 0.049623 -0.045984 0.086374 -0.015111 27O 1f-2 0.006855 -0.024686 0.033443 -0.010875 0.025034 -0.015686 27O 1f+3 0.000198 0.094983 0.141370 -0.086374 0.097416 -0.104790 27O 1f-3 0.000291 0.043063 -0.063166 0.058722 0.027718 0.109766 28O 1s 0.000510 0.002811 0.005176 0.008443 -0.004437 -0.007359 28O 2s 0.002197 0.008965 0.016011 0.025990 -0.013038 -0.023301 28O 3s -0.040714 -0.091897 -0.183518 -0.298717 0.132069 0.282461 28O 4s 0.151451 -0.023734 0.282674 0.460023 -0.070222 -0.505415 28O 5s 0.215373 0.771081 0.584346 1.014030 -0.156019 -1.262722 28O 1pz 0.016423 0.023205 0.054194 0.079716 -0.023450 -0.100385 28O 1px -0.001640 -0.072745 -0.087195 -0.142184 0.100801 0.108058 28O 1py 0.005721 -0.010999 -0.008651 0.000191 0.022250 -0.020534 28O 2pz -0.098880 -0.046171 -0.190666 -0.275252 0.003477 0.408248 28O 2px 0.058138 0.234598 0.294123 0.491549 -0.286481 -0.430391 28O 2py -0.026051 0.055226 0.040911 -0.010904 -0.099106 0.086203 28O 3pz -0.059600 -0.054639 -0.281779 -0.572928 0.249136 0.506841 28O 3px 0.060572 0.211671 0.318039 0.523926 -0.227952 -0.602516 28O 3py 0.030106 0.059867 -0.104190 -0.113590 0.068068 0.082846 28O 1dz2 -0.028410 -0.059527 0.009236 0.072880 -0.175411 0.074149 28O 1dxz 0.000978 0.195317 0.226768 0.384862 -0.244779 -0.344187 28O 1dyz -0.012882 -0.090577 0.029816 0.008006 -0.111953 0.074464 28O 1dx2y2 0.045386 -0.128296 -0.202327 -0.301896 0.304700 0.183074 28O 1dxy 0.007028 -0.000683 -0.010025 0.008328 0.057789 -0.062062 28O 2dz2 0.038166 0.015661 -0.000456 -0.065869 0.215624 -0.105145 28O 2dxz -0.034314 -0.234382 -0.309130 -0.513396 0.290246 0.497296 28O 2dyz 0.014340 0.070978 -0.030013 0.015239 0.126040 -0.100335 28O 2dx2y2 -0.029121 0.197388 0.253399 0.389819 -0.375295 -0.263914 28O 2dxy -0.011076 0.030259 0.018313 -0.029074 -0.081229 0.092071 28O 1f0 -0.005765 0.078894 0.036718 0.069958 -0.079358 -0.046126 28O 1f+1 0.027440 -0.011904 0.061650 0.082526 0.020355 -0.116153 28O 1f-1 -0.003015 0.028412 -0.022315 -0.052592 0.026686 0.038144 28O 1f+2 -0.005877 -0.109271 -0.097744 -0.152796 0.106992 0.132574 28O 1f-2 0.007753 -0.030638 0.006880 0.050232 0.031941 -0.056296 28O 1f+3 0.009002 -0.084784 -0.063328 -0.092549 0.108523 0.059298 28O 1f-3 0.006964 -0.017065 -0.010423 0.009857 0.028945 -0.027771 29O 1s 0.000487 -0.000293 0.000289 -0.001836 -0.000153 0.001982 29O 2s 0.001628 -0.001026 0.001019 -0.006805 -0.000435 0.007006 29O 3s -0.024821 0.015539 -0.015760 0.115505 0.005285 -0.105623 29O 4s 0.058451 -0.037800 0.036944 -0.283081 -0.013416 0.227242 29O 5s 0.004353 0.008352 0.000453 -0.071959 0.019092 0.168944 29O 1pz -0.241149 -0.212488 0.000942 0.020602 0.023124 0.004850 29O 1px -0.092030 -0.076047 -0.001077 0.022732 0.009216 -0.006927 29O 1py 0.025461 0.016115 0.005291 -0.027694 -0.002492 0.019293 29O 2pz 1.324432 1.141114 -0.005234 -0.107553 -0.160277 -0.023515 29O 2px 0.506460 0.409695 0.006722 -0.135304 -0.061361 0.028417 29O 2py -0.144411 -0.088689 -0.023006 0.155815 0.016107 -0.103794 29O 3pz 0.262648 0.189434 -0.006760 -0.006929 -0.087110 0.007462 29O 3px 0.105522 0.064343 -0.001186 -0.057338 -0.034589 -0.013804 29O 3py -0.033626 -0.020244 0.013933 0.036963 0.007344 0.020079 29O 1dz2 0.279244 0.255611 -0.015633 0.016111 -0.017673 -0.048283 29O 1dxz -0.273022 -0.209600 0.001593 0.066047 0.019913 -0.047192 29O 1dyz 0.487582 0.441506 -0.016327 -0.063186 -0.046581 -0.010911 29O 1dx2y2 -0.073863 -0.054371 0.002938 -0.002454 0.007690 0.054846 29O 1dxy 0.227010 0.193630 -0.000591 -0.052073 -0.018631 0.038353 29O 2dz2 -0.566130 -0.511226 0.026063 -0.025395 0.056568 0.074945 29O 2dxz 0.551611 0.440189 -0.005124 -0.133387 -0.055581 0.061992 29O 2dyz -0.968226 -0.847529 0.015964 0.113593 0.115663 0.014996 29O 2dx2y2 0.151075 0.123166 -0.006551 0.001528 -0.016852 -0.049887 29O 2dxy -0.446138 -0.370848 -0.001024 0.108253 0.049284 -0.060292 29O 1f0 0.024667 0.029522 -0.008977 0.043470 -0.005617 -0.033873 29O 1f+1 0.046076 0.031680 0.003864 -0.021427 -0.012918 0.009583 29O 1f-1 0.267249 0.242234 -0.011821 0.026495 -0.026057 -0.046131 29O 1f+2 -0.117127 -0.108655 -0.001312 -0.003840 0.014653 0.008152 29O 1f-2 -0.396143 -0.318076 0.001947 0.083420 0.040162 -0.032061 29O 1f+3 0.121188 0.099146 0.000633 -0.026562 -0.014685 0.003110 29O 1f-3 0.189248 0.153022 -0.001815 -0.033728 -0.018778 0.005664 30O 1s -0.001120 -0.002483 0.008405 -0.004482 0.003822 -0.007218 30O 2s -0.003751 -0.008377 0.025989 -0.013547 0.011037 -0.022703 30O 3s 0.049222 0.096753 -0.295675 0.149327 -0.107021 0.272333 30O 4s -0.075398 -0.040880 0.411779 -0.228986 0.025360 -0.465884 30O 5s -0.304443 -0.817804 1.092608 -0.303502 0.058107 -1.211392 30O 1pz -0.021018 -0.023925 0.075803 -0.028321 0.023060 -0.074123 30O 1px 0.003566 0.057352 -0.141757 0.075342 -0.093652 0.093730 30O 1py 0.031204 0.018963 -0.061767 0.032513 -0.003204 0.081856 30O 2pz 0.093591 0.080253 -0.262717 0.069547 -0.019717 0.296671 30O 2px -0.021226 -0.218975 0.476340 -0.241248 0.264537 -0.360233 30O 2py -0.133537 -0.063937 0.206674 -0.100544 -0.060308 -0.332449 30O 3pz 0.115009 0.069688 -0.351742 0.205278 -0.152022 0.392265 30O 3px -0.075101 -0.238454 0.482269 -0.167893 0.156510 -0.533755 30O 3py -0.186936 -0.031965 0.437407 -0.170070 0.167820 -0.421803 30O 1dz2 0.014446 -0.051804 0.100893 -0.089611 0.109027 -0.053427 30O 1dxz -0.040938 -0.098927 0.312183 -0.162246 0.216683 -0.232919 30O 1dyz -0.116191 -0.178234 0.161203 -0.018592 -0.042163 -0.208537 30O 1dx2y2 -0.067444 -0.032502 -0.232760 0.138399 -0.313094 0.049008 30O 1dxy 0.080182 0.092986 -0.293450 0.154243 -0.156794 0.253033 30O 2dz2 -0.019959 0.085099 -0.125297 0.115891 -0.136932 0.070366 30O 2dxz 0.061391 0.147819 -0.413593 0.191609 -0.254857 0.331815 30O 2dyz 0.153089 0.185004 -0.232636 0.038556 0.047599 0.298841 30O 2dx2y2 0.095229 -0.035778 0.277183 -0.164351 0.383189 -0.058747 30O 2dxy -0.113947 -0.131577 0.382806 -0.200386 0.173379 -0.364706 30O 1f0 -0.016109 -0.041806 0.125665 -0.069168 0.085136 -0.099161 30O 1f+1 -0.018861 0.015475 0.003325 0.022245 -0.029215 -0.019153 30O 1f-1 -0.016139 0.019174 0.027226 0.002661 -0.004969 -0.027467 30O 1f+2 -0.028925 0.083543 -0.047754 0.019088 -0.071246 0.004740 30O 1f-2 0.055363 0.055804 -0.159377 0.065256 -0.039801 0.150215 30O 1f+3 -0.053348 0.024669 -0.004987 0.002117 -0.083925 -0.050717 30O 1f-3 0.001039 0.089618 -0.100624 0.052779 -0.078890 0.072108 31O 1s -0.001157 0.002492 -0.008395 0.004479 0.003875 -0.007203 31O 2s -0.003859 0.008397 -0.025963 0.013538 0.011211 -0.022659 31O 3s 0.050173 -0.096894 0.295414 -0.149313 -0.109257 0.271961 31O 4s -0.075986 0.040095 -0.411735 0.228894 0.030295 -0.466472 31O 5s -0.303795 0.819659 -1.093507 0.308401 0.062690 -1.208510 31O 1pz 0.021357 -0.023917 0.075877 -0.028316 -0.023633 0.074054 31O 1px -0.004377 0.057427 -0.141486 0.075038 0.094171 -0.093277 31O 1py -0.031493 0.018776 -0.061830 0.032634 0.003964 -0.081828 31O 2pz -0.093792 0.080319 -0.263096 0.070027 0.022264 -0.296814 31O 2px 0.023109 -0.218736 0.475425 -0.240312 -0.266942 0.359056 31O 2py 0.133789 -0.063391 0.207139 -0.101643 0.057080 0.332725 31O 3pz -0.115023 0.072009 -0.353731 0.206985 0.154655 -0.392025 31O 3px 0.075207 -0.239926 0.482837 -0.169969 -0.158473 0.532639 31O 3py 0.187619 -0.033099 0.438579 -0.172693 -0.169880 0.421612 31O 1dz2 0.012776 0.052085 -0.100647 0.089457 0.108917 -0.052671 31O 1dxz -0.042764 0.099429 -0.312169 0.162067 0.218007 -0.231997 31O 1dyz -0.115693 0.178539 -0.161514 0.019481 -0.040284 -0.208518 31O 1dx2y2 -0.066147 0.031374 0.231846 -0.137536 -0.312519 0.047704 31O 1dxy 0.081935 -0.092718 0.293031 -0.154308 -0.158059 0.252176 31O 2dz2 -0.018101 -0.085036 0.124777 -0.115536 -0.136866 0.069393 31O 2dxz 0.063072 -0.148430 0.413539 -0.191439 -0.256998 0.330802 31O 2dyz 0.152552 -0.185755 0.233172 -0.040065 0.044926 0.298905 31O 2dx2y2 0.093762 0.036376 -0.275796 0.162642 0.382518 -0.057106 31O 2dxy -0.115797 0.131237 -0.382365 0.200789 0.175567 -0.363786 31O 1f0 0.016843 -0.041871 0.125492 -0.069086 -0.085717 0.098787 31O 1f+1 0.018349 0.015150 0.003706 0.022086 0.028751 0.019476 31O 1f-1 0.016206 0.018813 0.027492 0.002395 0.004662 0.027598 31O 1f+2 0.028916 0.083367 -0.047328 0.018390 0.071090 -0.004327 31O 1f-2 -0.055800 0.056239 -0.159494 0.065634 0.041151 -0.150048 31O 1f+3 0.053385 0.024657 -0.004492 0.001297 0.083079 0.051151 31O 1f-3 -0.001621 0.089220 -0.100184 0.052337 0.079176 -0.071694 32O 1s 0.000468 0.000339 -0.000217 0.001821 -0.000156 0.001987 32O 2s 0.001562 0.001150 -0.000738 0.006755 -0.000422 0.007020 32O 3s -0.023599 -0.017016 0.010747 -0.114820 0.004627 -0.105801 32O 4s 0.056019 0.040574 -0.025655 0.281495 -0.011734 0.227836 32O 5s 0.000039 -0.009635 0.010994 0.072464 0.023548 0.167664 32O 1pz 0.244342 -0.211271 -0.000016 0.023543 -0.022942 -0.004445 32O 1px 0.091662 -0.074307 -0.000502 0.023585 -0.008883 0.007075 32O 1py -0.019121 0.010451 0.004540 -0.027041 0.001730 -0.019335 32O 2pz -1.342229 1.134504 0.000202 -0.124368 0.159213 0.021101 32O 2px -0.504329 0.400563 0.003187 -0.140324 0.058885 -0.029230 32O 2py 0.109463 -0.058407 -0.017483 0.152496 -0.010441 0.104020 32O 3pz -0.265609 0.187425 -0.005991 -0.010830 0.086783 -0.006373 32O 3px -0.105677 0.063649 -0.000805 -0.058591 0.033397 0.013932 32O 3py 0.026792 -0.017032 0.018243 0.036937 -0.003115 -0.020422 32O 1dz2 0.260816 -0.236714 0.012106 -0.016221 -0.014545 -0.048430 32O 1dxz -0.286328 0.216599 -0.003293 -0.069605 0.020716 -0.047301 32O 1dyz 0.500074 -0.444776 0.015603 0.067306 -0.046852 -0.011994 32O 1dx2y2 -0.087893 0.064126 -0.002221 0.000092 0.009736 0.054738 32O 1dxy 0.218310 -0.183770 0.000927 0.052246 -0.016870 0.037812 32O 2dz2 -0.529590 0.472514 -0.019710 0.025090 0.050565 0.075039 32O 2dxz 0.578015 -0.454006 0.007751 0.141291 -0.057036 0.062393 32O 2dyz -0.992875 0.853956 -0.014041 -0.121888 0.116193 0.017196 32O 2dx2y2 0.178956 -0.143112 0.005275 0.003453 -0.020646 -0.049585 32O 2dxy -0.428987 0.351000 -0.000646 -0.108614 0.045457 -0.059364 32O 1f0 -0.011366 0.016958 -0.006087 0.041263 0.004697 0.031415 32O 1f+1 -0.057287 0.039549 0.003123 -0.025654 0.013625 -0.011361 32O 1f-1 -0.264933 0.236428 -0.008832 0.026210 0.025677 0.047644 32O 1f+2 0.117592 -0.108066 -0.002269 -0.005451 -0.014653 -0.010300 32O 1f-2 0.405113 -0.320138 0.003212 0.086736 -0.039657 0.031323 32O 1f+3 -0.105918 0.085105 0.000172 -0.024429 0.012761 -0.002080 32O 1f-3 -0.194346 0.154538 -0.001769 -0.035387 0.019043 -0.005374 33O 1s 0.000550 -0.002819 -0.005190 -0.008398 -0.004476 -0.007362 33O 2s 0.002307 -0.008981 -0.016058 -0.025853 -0.013168 -0.023312 33O 3s -0.041444 0.092013 0.184076 0.297126 0.133751 0.282500 33O 4s 0.149795 0.024817 -0.284360 -0.457881 -0.073222 -0.505034 33O 5s 0.217376 -0.774336 -0.583363 -1.008343 -0.165173 -1.262763 33O 1pz -0.016946 0.023099 0.054330 0.079120 0.024187 0.100198 33O 1px 0.002756 -0.072602 -0.087522 -0.141821 -0.101349 -0.108340 33O 1py -0.005670 -0.010808 -0.008625 0.000144 -0.021965 0.020594 33O 2pz 0.099151 -0.046237 -0.190700 -0.272642 -0.006893 -0.407064 33O 2px -0.060314 0.233625 0.295420 0.490322 0.288939 0.431172 33O 2py 0.025691 0.054197 0.041152 -0.010440 0.097966 -0.086425 33O 3pz 0.058960 -0.060131 -0.281365 -0.568553 -0.252941 -0.506705 33O 3px -0.059880 0.214818 0.318122 0.520470 0.231256 0.603347 33O 3py -0.029690 0.058390 -0.104987 -0.112810 -0.068808 -0.083804 33O 1dz2 -0.028355 0.059334 -0.009439 -0.074024 -0.174095 0.072769 33O 1dxz 0.004108 -0.196169 -0.227258 -0.382533 -0.246742 -0.344362 33O 1dyz -0.012291 0.092006 -0.030103 -0.008363 -0.110773 0.074629 33O 1dx2y2 0.042430 0.128656 0.202750 0.300973 0.305328 0.184014 33O 1dxy 0.007131 0.000360 0.009244 -0.008717 0.056955 -0.062560 33O 2dz2 0.037828 -0.016401 0.001322 0.067946 0.213751 -0.103213 33O 2dxz -0.037266 0.235504 0.309617 0.510045 0.293348 0.497282 33O 2dyz 0.013803 -0.073014 0.030566 -0.014443 0.124497 -0.100606 33O 2dx2y2 -0.026106 -0.197292 -0.254344 -0.388877 -0.376348 -0.265085 33O 2dxy -0.011121 -0.029326 -0.017731 0.029200 -0.079931 0.092768 33O 1f0 0.005062 0.078343 0.037445 0.070443 0.079466 0.046772 33O 1f+1 -0.027809 -0.011225 0.061197 0.081037 -0.019157 0.115465 33O 1f-1 0.003478 0.028027 -0.022224 -0.052108 -0.026978 -0.038236 33O 1f+2 0.006749 -0.109245 -0.098128 -0.152056 -0.107677 -0.132666 33O 1f-2 -0.007945 -0.029703 0.006698 0.049840 -0.030981 0.056608 33O 1f+3 -0.008227 -0.084514 -0.063827 -0.092535 -0.108663 -0.059593 33O 1f-3 -0.006812 -0.016719 -0.010227 0.009917 -0.028415 0.028030 34O 1s -0.000078 -0.001010 -0.008096 0.005294 0.003768 -0.007140 34O 2s -0.000913 -0.003299 -0.024701 0.016287 0.010704 -0.022439 34O 3s 0.023900 0.026186 0.275109 -0.183789 -0.100992 0.267642 34O 4s -0.131197 0.122638 -0.376954 0.227484 -0.000630 -0.450511 34O 5s -0.082068 -0.534939 -0.851418 0.798978 0.053741 -1.182288 34O 1pz 0.005953 -0.017897 -0.024638 0.025562 0.034158 -0.002089 34O 1px 0.004851 0.034388 0.155339 -0.103768 -0.081456 0.138149 34O 1py -0.006444 0.013430 -0.001147 0.006520 -0.026561 -0.038585 34O 2pz -0.008805 0.069368 0.077720 -0.094837 -0.122120 0.001649 34O 2px -0.069718 -0.085985 -0.500415 0.348463 0.176323 -0.535747 34O 2py 0.023045 -0.073085 -0.007370 -0.033067 0.127597 0.159192 34O 3pz 0.022273 0.077497 0.037062 0.018366 0.001264 0.038415 34O 3px 0.023744 -0.069618 -0.585799 0.492133 0.239582 -0.731522 34O 3py -0.055019 -0.092820 0.174987 -0.079634 -0.088930 0.153002 34O 1dz2 0.025508 -0.088971 -0.203623 0.177125 0.117486 -0.197912 34O 1dxz 0.026132 0.008423 -0.123642 0.099820 0.193047 -0.019997 34O 1dyz 0.013398 -0.070416 0.007897 -0.003710 -0.041064 -0.008535 34O 1dx2y2 -0.052376 0.082172 0.410927 -0.254522 -0.313503 0.297732 34O 1dxy 0.000637 -0.090981 -0.035722 0.060478 -0.120607 -0.167335 34O 2dz2 -0.015977 0.099176 0.273826 -0.226422 -0.140626 0.282153 34O 2dxz -0.014659 0.033713 0.145472 -0.129984 -0.233495 0.027766 34O 2dyz -0.016299 0.072226 -0.003115 0.001488 0.037378 0.006568 34O 2dx2y2 0.028130 -0.121526 -0.524972 0.333489 0.365658 -0.425152 34O 2dxy -0.007484 0.043106 0.057897 -0.097307 0.148773 0.237644 34O 1f0 0.004555 -0.046809 -0.023065 0.032927 0.035950 -0.004254 34O 1f+1 -0.000480 0.031269 0.131750 -0.091584 -0.068944 0.121459 34O 1f-1 0.002060 0.014719 -0.022962 0.018597 -0.007185 -0.033711 34O 1f+2 -0.002019 0.042353 0.049624 -0.046286 -0.086219 0.014870 34O 1f-2 -0.006589 -0.024416 0.033237 -0.010532 -0.025013 0.015460 34O 1f+3 0.001025 0.094537 0.141264 -0.086352 -0.098149 0.104610 34O 1f-3 -0.000729 0.041768 -0.063313 0.057797 -0.026468 -0.109999 35O 1s 0.000904 0.000740 -0.004987 -0.008218 -0.003655 -0.007130 35O 2s 0.003154 0.002978 -0.015356 -0.025264 -0.010361 -0.022412 35O 3s -0.043855 -0.034407 0.173295 0.284076 0.096222 0.267598 35O 4s 0.098651 -0.060595 -0.229079 -0.383208 0.011718 -0.446672 35O 5s 0.181618 0.661067 -0.663202 -0.975600 -0.045471 -1.211323 35O 1pz -0.017365 0.009392 -0.002548 -0.015596 -0.037655 0.028518 35O 1px -0.014864 -0.030595 0.097198 0.151828 0.082700 0.123774 35O 1py -0.019426 -0.002485 0.026113 0.051971 0.008407 0.063405 35O 2pz 0.067489 -0.047857 -0.003300 0.058122 0.153738 -0.127459 35O 2px 0.077789 0.121135 -0.329780 -0.500727 -0.186371 -0.482894 35O 2py 0.082411 0.006225 -0.079675 -0.177828 0.024369 -0.256439 35O 3pz 0.050138 -0.100183 -0.022385 -0.071720 -0.049238 -0.073927 35O 3px 0.072255 0.134620 -0.371187 -0.589583 -0.215844 -0.682493 35O 3py 0.103395 -0.002488 -0.204964 -0.229921 -0.111510 -0.297467 35O 1dz2 0.014189 -0.000030 -0.124442 -0.247352 -0.175821 -0.172211 35O 1dxz -0.068475 -0.077579 -0.005940 -0.050407 -0.180374 0.106347 35O 1dyz -0.028509 -0.112268 -0.004694 0.004946 -0.104757 0.071361 35O 1dx2y2 0.004763 -0.026805 0.224908 0.318479 0.285422 0.204587 35O 1dxy -0.080081 -0.106905 0.155897 0.263285 0.086300 0.265256 35O 2dz2 -0.030560 -0.027879 0.169408 0.318095 0.200116 0.249228 35O 2dxz 0.085934 0.034455 -0.009228 0.057614 0.221013 -0.159024 35O 2dyz 0.035556 0.096053 -0.007580 -0.010804 0.115796 -0.097487 35O 2dx2y2 0.002082 0.079933 -0.292897 -0.411623 -0.336914 -0.289134 35O 2dxy 0.110544 0.117976 -0.203546 -0.357596 -0.098719 -0.381428 35O 1f0 -0.022233 0.032786 0.017039 -0.000582 -0.041767 0.052505 35O 1f+1 -0.008195 -0.062009 0.060989 0.111289 0.065674 0.081656 35O 1f-1 -0.013773 -0.028865 0.017583 0.042144 -0.007719 0.040083 35O 1f+2 0.020055 -0.011390 -0.001504 0.023480 0.062400 -0.032555 35O 1f-2 0.021832 -0.050659 -0.030681 -0.030698 0.011442 -0.068522 35O 1f+3 0.019331 -0.056877 0.062626 0.072846 0.080859 0.029588 35O 1f-3 -0.032162 -0.036273 0.100746 0.169045 0.078500 0.151722 732 733 734 735 736 737 7.16801 7.16991 7.18706 7.23103 7.23243 7.23308 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s -0.000107 0.000157 -0.001175 -0.000052 -0.000456 -0.000051 0Rh 2s 0.001098 -0.000353 0.015124 0.001779 -0.005525 -0.000217 0Rh 3s -0.000014 0.000757 0.001657 0.000720 -0.006015 -0.000440 0Rh 4s -0.007181 0.003008 -0.096673 -0.010914 0.030477 0.000973 0Rh 5s 0.022451 -0.008123 0.299455 0.034981 -0.105609 -0.003372 0Rh 6s -0.034680 0.005698 -0.460240 -0.060036 0.219739 0.007387 0Rh 7s 0.077848 -0.017287 0.803451 0.126738 -0.575872 0.007792 0Rh 8s -0.043416 0.040385 0.167154 0.047927 -0.372198 -0.037238 0Rh 1pz -0.009392 0.030593 0.001658 -0.020557 0.001434 -0.006396 0Rh 1px 0.002408 0.011554 0.002602 -0.007587 -0.001795 0.000957 0Rh 1py -0.032012 -0.008083 -0.000127 0.007506 -0.000121 -0.022405 0Rh 2pz 0.040302 -0.131213 -0.007183 0.088918 -0.006192 0.027684 0Rh 2px -0.010323 -0.049568 -0.011185 0.032821 0.007877 -0.004164 0Rh 2py 0.137307 0.034669 0.000566 -0.032471 0.000448 0.096891 0Rh 3pz -0.149504 0.485547 0.028106 -0.343930 0.023788 -0.107411 0Rh 3px 0.037947 0.183720 0.041597 -0.127050 -0.032913 0.016514 0Rh 3py -0.508286 -0.128328 -0.002563 0.125644 -0.000202 -0.374342 0Rh 4pz 0.232894 -0.754329 -0.047927 0.571240 -0.039879 0.179059 0Rh 4px -0.057559 -0.286481 -0.062991 0.211500 0.061770 -0.027674 0Rh 4py 0.790565 0.199626 0.005554 -0.208796 -0.003528 0.620776 0Rh 5pz -0.159212 0.517752 0.040257 -0.427056 0.031480 -0.133448 0Rh 5px 0.034346 0.198751 0.029460 -0.160995 -0.051397 0.016642 0Rh 5py -0.545075 -0.137860 -0.005540 0.156864 0.007489 -0.464004 0Rh 6pz 0.071799 -0.254808 -0.060720 -0.490001 0.041017 -0.182410 0Rh 6px 0.026665 -0.085578 0.310704 -0.118642 -0.288454 0.064730 0Rh 6py 0.274066 0.086307 -0.073873 0.151168 0.039049 -0.517529 0Rh 1dz2 -0.000059 0.000525 0.004087 0.004941 -0.006285 0.002962 0Rh 1dxz 0.001074 0.001080 0.006355 -0.003350 -0.008739 -0.002275 0Rh 1dyz -0.002142 0.000442 0.001482 0.001606 -0.002480 0.006484 0Rh 1dx2y2 -0.001515 -0.000728 -0.008329 -0.003539 0.012379 0.002607 0Rh 1dxy -0.002571 -0.000497 -0.003780 0.001821 0.005822 -0.002332 0Rh 2dz2 -0.000011 0.000160 -0.004247 -0.003933 0.005481 -0.002875 0Rh 2dxz -0.000223 -0.001850 -0.005995 0.001326 0.007348 0.001369 0Rh 2dyz 0.001332 -0.000851 -0.001374 -0.003489 0.001968 -0.006804 0Rh 2dx2y2 0.000620 0.000102 0.008435 0.002159 -0.010743 -0.002007 0Rh 2dxy 0.002985 0.000561 0.003538 -0.001641 -0.004611 -0.000309 0Rh 3dz2 0.000370 -0.004084 -0.002553 -0.009713 0.009646 -0.003132 0Rh 3dxz -0.005468 0.003121 -0.007293 0.013815 0.014974 0.006810 0Rh 3dyz 0.006103 0.001777 -0.001834 0.008702 0.004898 -0.004001 0Rh 3dx2y2 0.006056 0.003925 0.006363 0.010442 -0.019292 -0.005429 0Rh 3dxy 0.000119 0.000099 0.004522 -0.002555 -0.011545 0.016157 0Rh 4dz2 -0.000460 0.012270 -0.011242 0.012106 -0.003547 -0.002582 0Rh 4dxz 0.015569 -0.015866 -0.004417 -0.036832 -0.011521 -0.014231 0Rh 4dyz -0.011985 -0.008619 -0.000437 -0.042915 -0.006111 -0.017994 0Rh 4dx2y2 -0.015521 -0.010748 0.018529 -0.022264 0.008354 0.006829 0Rh 4dxy 0.010035 0.001614 0.001581 0.000292 0.014315 -0.050754 0Rh 5dz2 -0.003397 -0.019059 0.101429 0.052693 -0.103564 0.062694 0Rh 5dxz -0.029840 0.045859 0.116707 0.064741 -0.122063 0.002774 0Rh 5dyz 0.001443 0.031654 0.025367 0.187827 -0.023345 0.186616 0Rh 5dx2y2 0.023680 0.016722 -0.193797 0.014361 0.199580 0.031187 0Rh 5dxy -0.042577 -0.004663 -0.062533 0.038082 0.056476 0.132650 0Rh 1f0 -0.025637 -0.016481 -0.008493 0.020633 0.001576 -0.027286 0Rh 1f+1 -0.009614 0.013844 0.006501 -0.011484 0.000691 -0.009092 0Rh 1f-1 -0.047504 0.028820 0.003830 -0.025910 0.002902 -0.050936 0Rh 1f+2 0.001898 -0.049480 0.002305 0.052679 0.000048 0.000020 0Rh 1f-2 -0.036780 -0.014425 0.001543 0.016950 0.002217 -0.037714 0Rh 1f+3 0.015470 0.029737 0.012563 -0.030776 -0.000713 0.015225 0Rh 1f-3 -0.017600 -0.006863 0.005393 0.009690 0.001227 -0.016866 1Rh 1s 0.000110 -0.000150 -0.001176 -0.000126 0.000443 0.000029 1Rh 2s -0.001108 0.000287 0.015109 0.000929 0.005724 0.000659 1Rh 3s 0.000027 -0.000747 0.001646 -0.000230 0.006055 0.000561 1Rh 4s 0.007261 -0.002573 -0.096585 -0.006247 -0.031727 -0.003814 1Rh 5s -0.022672 0.006792 0.299158 0.018792 0.109454 0.013293 1Rh 6s 0.034858 -0.003764 -0.459683 -0.026194 -0.225617 -0.027732 1Rh 7s -0.076720 0.012959 0.802486 0.038214 0.581300 0.099783 1Rh 8s 0.043852 -0.038814 0.167044 -0.012024 0.376886 0.026593 1Rh 1pz -0.009351 0.030624 -0.001579 0.020133 0.003535 0.006536 1Rh 1px 0.002468 0.011555 -0.002596 0.007799 -0.000433 -0.001207 1Rh 1py -0.032018 -0.008044 0.000118 -0.007179 -0.004848 0.021732 1Rh 2pz 0.040128 -0.131348 0.006843 -0.087089 -0.015275 -0.028291 1Rh 2px -0.010579 -0.049572 0.011157 -0.033753 0.001979 0.005261 1Rh 2py 0.137331 0.034502 -0.000526 0.031063 0.020892 -0.093999 1Rh 3pz -0.148844 0.486051 -0.026832 0.336922 0.058879 0.109876 1Rh 3px 0.038903 0.183727 -0.041472 0.130989 -0.009955 -0.021099 1Rh 3py -0.508348 -0.127680 0.002411 -0.120391 -0.079254 0.363541 1Rh 4pz 0.231846 -0.755147 0.045902 -0.559635 -0.098066 -0.183572 1Rh 4px -0.059112 -0.286464 0.062745 -0.219063 0.023337 0.036331 1Rh 4py 0.790622 0.198536 -0.005316 0.200591 0.127714 -0.603800 1Rh 5pz -0.158531 0.518457 -0.038767 0.418176 0.075036 0.137648 1Rh 5px 0.035760 0.198647 -0.029289 0.167555 -0.022709 -0.023918 1Rh 5py -0.545146 -0.137000 0.005442 -0.151568 -0.090789 0.452358 1Rh 6pz 0.071604 -0.256331 0.059919 0.481357 0.084281 0.189300 1Rh 6px 0.023890 -0.084332 -0.308534 0.157913 -0.253809 -0.108556 1Rh 6py 0.276250 0.085386 0.071556 -0.145144 -0.069550 0.516459 1Rh 1dz2 0.000020 -0.000566 0.004043 0.003586 0.006483 0.002549 1Rh 1dxz -0.001095 -0.001109 0.006343 -0.004629 0.008408 -0.000838 1Rh 1dyz 0.001987 -0.000467 0.001453 0.000354 0.001839 0.003264 1Rh 1dx2y2 0.001489 0.000739 -0.008283 -0.001755 -0.013010 0.000008 1Rh 1dxy 0.002495 0.000499 -0.003792 0.002281 -0.004945 -0.004643 1Rh 2dz2 0.000055 -0.000118 -0.004214 -0.002754 -0.005555 -0.002491 1Rh 2dxz 0.000232 0.001877 -0.005980 0.002409 -0.007201 0.000116 1Rh 2dyz -0.001193 0.000889 -0.001352 -0.002410 -0.001546 -0.003946 1Rh 2dx2y2 -0.000595 -0.000118 0.008398 0.000620 0.011113 0.000244 1Rh 2dxy -0.002923 -0.000557 0.003545 -0.002001 0.004230 0.001654 1Rh 3dz2 -0.000366 0.004117 -0.002454 -0.007617 -0.010465 -0.002619 1Rh 3dxz 0.005554 -0.003084 -0.007294 0.015960 -0.013691 0.004608 1Rh 3dyz -0.005885 -0.001823 -0.001774 0.010699 -0.003148 0.000667 1Rh 3dx2y2 -0.006031 -0.003912 0.006271 0.007615 0.021224 -0.001354 1Rh 3dxy 0.000020 -0.000131 0.004561 -0.003498 0.008127 0.020016 1Rh 4dz2 0.000643 -0.012199 -0.011430 0.011335 0.005586 -0.002296 1Rh 4dxz -0.015816 0.015856 -0.004351 -0.038280 0.008156 -0.013506 1Rh 4dyz 0.011897 0.008934 -0.000530 -0.043928 0.002432 -0.018580 1Rh 4dx2y2 0.015545 0.010647 0.018681 -0.020957 -0.012527 0.005004 1Rh 4dxy -0.010206 -0.001481 0.001475 0.001598 -0.005628 -0.053404 1Rh 5dz2 0.002343 0.018161 0.101497 0.030188 0.100979 0.054367 1Rh 5dxz 0.030371 -0.046215 0.116290 0.045681 0.128047 0.027521 1Rh 5dyz -0.003108 -0.033126 0.025335 0.168426 0.025208 0.129489 1Rh 5dx2y2 -0.023924 -0.016261 -0.193667 0.043346 -0.197445 -0.010570 1Rh 5dxy 0.042179 0.004180 -0.062287 0.041771 -0.069502 0.099698 1Rh 1f0 -0.025648 -0.016461 0.008414 -0.020317 -0.005974 0.026729 1Rh 1f+1 -0.009501 0.013876 -0.006494 0.011386 0.000959 0.009221 1Rh 1f-1 -0.047489 0.028865 -0.003719 0.025693 -0.001309 0.050301 1Rh 1f+2 0.001814 -0.049507 -0.002471 -0.052111 -0.008081 -0.000503 1Rh 1f-2 -0.036643 -0.014355 -0.001590 -0.016683 -0.006481 0.037109 1Rh 1f+3 0.015474 0.029712 -0.012471 0.030342 0.006433 -0.014719 1Rh 1f-3 -0.017674 -0.006821 -0.005400 -0.009604 -0.003003 0.016480 2C 1s -0.003304 0.002686 -0.002818 -0.000840 -0.000739 -0.000588 2C 2s -0.004463 0.003701 -0.004358 -0.001174 -0.000671 -0.000833 2C 3s 0.099262 -0.088081 0.144497 0.032679 -0.014692 0.025829 2C 4s 0.036267 -0.009258 -0.214400 0.049876 0.032756 0.062685 2C 5s 0.641819 -0.562675 0.738022 -0.021468 -0.044353 -0.004384 2C 1pz 0.020770 -0.021849 0.027575 -0.005415 0.015627 -0.008187 2C 1px 0.005077 -0.002947 0.005509 0.046426 -0.053157 0.051836 2C 1py 0.019346 -0.009123 0.016769 0.014490 -0.009206 0.013177 2C 2pz 0.077153 -0.042323 -0.085017 0.208065 -0.174886 0.225893 2C 2px 0.037293 -0.049997 0.001062 -0.296966 0.378122 -0.332821 2C 2py 0.002615 -0.035124 -0.070963 0.002352 0.028193 0.011574 2C 3pz 0.181754 -0.139220 0.176380 -0.008115 -0.009297 -0.002888 2C 3px -0.083000 0.068086 -0.016480 -0.017807 0.013225 -0.008393 2C 3py 0.120868 -0.130715 0.127060 0.002700 -0.005005 0.003140 2C 1dz2 -0.001797 -0.006710 -0.002257 -0.025859 0.035352 -0.028902 2C 1dxz -0.002180 0.002511 -0.010351 0.057048 -0.066514 0.062611 2C 1dyz 0.006051 -0.001631 -0.002585 0.000680 0.005455 -0.000859 2C 1dx2y2 -0.006475 -0.000000 0.003477 -0.004636 0.001197 -0.006690 2C 1dxy 0.000883 0.002363 -0.001716 0.039747 -0.049576 0.046835 2C 2dz2 0.046006 -0.007809 -0.007769 0.093365 -0.091459 0.101998 2C 2dxz 0.013588 -0.013417 0.029787 -0.033953 0.044708 -0.035164 2C 2dyz 0.013887 -0.030117 -0.043658 -0.007965 0.034029 -0.002599 2C 2dx2y2 -0.050210 0.056112 -0.051703 -0.118986 0.120932 -0.117057 2C 2dxy -0.017387 0.010629 -0.023846 -0.047055 0.069157 -0.067700 2C 1f0 0.019188 -0.012238 0.012770 -0.033039 0.045441 -0.038340 2C 1f+1 0.049242 -0.040045 0.036432 0.034225 -0.023120 0.035993 2C 1f-1 -0.003465 0.003684 -0.010514 -0.002502 0.004828 -0.001535 2C 1f+2 -0.030090 0.028204 -0.018957 0.016119 -0.032479 0.020934 2C 1f-2 -0.002964 0.006630 -0.010926 0.031079 -0.035092 0.034196 2C 1f+3 -0.001724 -0.000324 0.000904 0.022523 -0.025431 0.023783 2C 1f-3 0.041604 -0.036968 0.033981 -0.002296 0.017722 -0.005937 3C 1s 0.002676 0.003349 -0.002651 0.001694 -0.000197 0.000859 3C 2s 0.003613 0.004492 -0.004179 0.001587 -0.000019 0.001018 3C 3s -0.080271 -0.099374 0.146593 0.026940 -0.026438 -0.017061 3C 4s -0.046229 -0.030599 -0.237877 -0.198380 0.059894 -0.110562 3C 5s -0.531179 -0.659682 0.725648 0.253699 -0.118732 0.016434 3C 1pz -0.009458 -0.017490 0.014362 -0.021490 0.012742 0.012721 3C 1px -0.001643 -0.009504 0.009497 0.054397 -0.043592 -0.053451 3C 1py 0.021288 0.020809 -0.027436 0.012190 -0.004491 -0.002692 3C 2pz -0.010648 0.026214 -0.080782 0.125489 -0.118429 -0.190608 3C 2px -0.073792 -0.022763 -0.036431 -0.424495 0.302242 0.320607 3C 2py 0.081184 0.086485 0.081182 -0.019253 0.076333 0.203681 3C 3pz -0.172164 -0.179388 0.140082 0.017947 -0.025455 -0.011830 3C 3px 0.000391 0.004287 0.032439 0.030602 0.009491 0.007587 3C 3py 0.101090 0.147475 -0.157334 -0.052175 0.024356 -0.012290 3C 1dz2 -0.000166 -0.005901 0.001480 -0.025695 0.018801 0.021370 3C 1dxz 0.002587 -0.004243 -0.004251 0.040369 -0.032330 -0.040766 3C 1dyz 0.007162 0.008581 -0.001750 0.040154 -0.026892 -0.025225 3C 1dx2y2 0.008129 -0.000315 0.006642 0.043600 -0.030303 -0.027637 3C 1dxy -0.004423 -0.002171 0.008589 -0.060352 0.050107 0.062356 3C 2dz2 -0.032138 -0.013610 0.035425 0.043908 -0.033222 -0.028237 3C 2dxz -0.039946 -0.032065 0.034596 0.051434 -0.053686 -0.082164 3C 2dyz 0.037004 0.018485 0.049687 0.027868 0.002976 0.042684 3C 2dx2y2 0.026343 0.048308 -0.018715 -0.094743 0.089168 0.120686 3C 2dxy 0.024133 0.004328 0.007304 0.122151 -0.092759 -0.092492 3C 1f0 -0.018484 -0.023084 0.019891 -0.010065 0.004098 0.004726 3C 1f+1 -0.029326 -0.032317 0.023976 -0.028503 0.013722 0.010317 3C 1f-1 0.009433 0.002689 -0.005418 0.013484 -0.008682 -0.009680 3C 1f+2 -0.005419 -0.005275 0.015768 0.041816 -0.028663 -0.030238 3C 1f-2 0.022705 0.026629 -0.013058 0.001134 0.007158 0.018744 3C 1f+3 -0.027053 -0.034041 0.022393 0.036197 -0.034824 -0.050672 3C 1f-3 0.041927 0.046111 -0.034573 0.065386 -0.037986 -0.037006 4C 1s -0.017965 0.014628 -0.003609 -0.007236 0.000954 -0.006844 4C 2s -0.030820 0.024664 0.001592 -0.014049 0.000826 -0.013376 4C 3s -0.076584 0.074756 -0.223550 0.004649 0.036618 0.011362 4C 4s 1.616375 -1.334238 0.849160 0.590058 -0.173542 0.514978 4C 5s 0.148094 -0.025487 -0.487217 0.093085 -0.013418 0.128947 4C 1pz 0.057128 -0.043133 -0.001877 0.054484 -0.039924 0.057138 4C 1px 0.011754 -0.008556 0.015722 -0.114844 0.139744 -0.130135 4C 1py 0.035979 -0.032207 0.003800 -0.009960 0.027615 -0.014155 4C 2pz 0.174931 -0.184089 -0.273333 0.337856 -0.269449 0.353262 4C 2px -0.007202 -0.018044 0.026938 -0.345832 0.544556 -0.373821 4C 2py 0.163095 -0.046235 -0.150963 0.071076 0.051678 0.071491 4C 3pz 0.532810 -0.470913 0.500937 0.074734 -0.121384 0.115584 4C 3px 0.154029 -0.120849 0.127051 -0.156293 0.204523 -0.177016 4C 3py 0.408578 -0.246826 0.329188 -0.022000 0.013778 0.001772 4C 1dz2 -0.105262 0.081884 -0.069469 0.050894 -0.103828 0.070339 4C 1dxz -0.114550 0.084489 -0.034255 -0.173935 0.175776 -0.195769 4C 1dyz -0.043737 0.043138 -0.049970 0.004155 -0.007594 -0.000902 4C 1dx2y2 0.168473 -0.150088 0.077815 0.052788 0.011142 0.037884 4C 1dxy 0.061338 -0.056246 0.034441 -0.090233 0.129715 -0.091047 4C 2dz2 -0.363197 0.327225 -0.324988 0.167277 -0.335897 0.226436 4C 2dxz -0.415784 0.304344 -0.241224 -0.649266 0.676399 -0.723677 4C 2dyz -0.198972 0.175741 -0.186353 -0.054322 -0.017090 -0.058404 4C 2dx2y2 0.592307 -0.502851 0.452691 0.180452 -0.031107 0.140892 4C 2dxy 0.178407 -0.179082 0.176832 -0.365699 0.465932 -0.391490 4C 1f0 -0.019161 0.032067 -0.033497 0.232613 -0.273503 0.271431 4C 1f+1 -0.002910 0.001556 0.017818 -0.221715 0.277402 -0.259402 4C 1f-1 -0.049192 0.043968 -0.073765 0.061785 -0.077592 0.068880 4C 1f+2 0.029961 -0.051404 0.045498 -0.158445 0.179032 -0.185617 4C 1f-2 -0.016356 -0.027316 0.009937 -0.273724 0.320607 -0.306072 4C 1f+3 0.018375 -0.004355 0.015815 -0.239184 0.274392 -0.264639 4C 1f-3 -0.020730 -0.008753 0.005718 -0.043962 0.053707 -0.050496 5C 1s 0.015699 0.018159 -0.003170 0.005709 0.001913 0.007987 5C 2s 0.027476 0.031447 0.002513 0.014497 0.002304 0.016194 5C 3s 0.053789 0.071440 -0.227923 -0.102354 0.037488 -0.035875 5C 4s -1.374826 -1.624641 0.826946 -0.247784 -0.230660 -0.551276 5C 5s -0.087917 -0.130596 -0.487241 -0.213368 0.003057 -0.156075 5C 1pz -0.027034 -0.026269 -0.006096 0.035767 -0.037325 -0.053916 5C 1px -0.032244 -0.042651 0.019707 -0.164777 0.111934 0.122393 5C 1py 0.044503 0.055345 0.001236 -0.004743 0.022762 0.043124 5C 2pz -0.059453 -0.118897 -0.167212 0.061611 -0.173287 -0.286314 5C 2px -0.111858 -0.196961 -0.048625 -0.590788 0.466759 0.331967 5C 2py 0.222703 0.135633 0.274059 0.076068 0.119053 0.336832 5C 3pz -0.188753 -0.323800 0.256493 0.152337 -0.109035 -0.081153 5C 3px -0.188564 -0.277824 0.240717 -0.175824 0.148423 0.171111 5C 3py 0.476000 0.544899 -0.485954 -0.173262 0.114328 0.076302 5C 1dz2 0.081794 0.079173 -0.029879 0.087405 -0.043481 -0.028991 5C 1dxz 0.094690 0.106485 -0.044926 -0.060422 0.084861 0.130670 5C 1dyz -0.013301 -0.008127 0.036772 -0.071947 0.064826 0.084832 5C 1dx2y2 -0.165548 -0.197448 0.097104 -0.155664 0.070066 0.035939 5C 1dxy -0.044322 -0.058723 0.027922 0.174127 -0.149078 -0.172280 5C 2dz2 0.230360 0.247737 -0.182664 0.245163 -0.152550 -0.166260 5C 2dxz 0.315363 0.393154 -0.293085 -0.332591 0.342430 0.475840 5C 2dyz -0.081939 -0.059578 0.083420 -0.344069 0.244287 0.237028 5C 2dx2y2 -0.581974 -0.655706 0.498320 -0.440543 0.207070 0.144864 5C 2dxy -0.179271 -0.251904 0.181171 0.636838 -0.541665 -0.671549 5C 1f0 -0.007079 -0.008389 0.030024 0.138824 -0.099620 -0.126712 5C 1f+1 -0.014560 0.019738 0.008070 -0.070508 0.048800 0.058919 5C 1f-1 -0.035791 -0.005624 0.017854 -0.155343 0.115488 0.139152 5C 1f+2 -0.052554 -0.061877 0.070458 -0.357457 0.257436 0.321571 5C 1f-2 -0.012112 -0.017854 0.024517 0.150241 -0.112467 -0.120834 5C 1f+3 -0.018890 0.013802 -0.004750 -0.391885 0.278589 0.322043 5C 1f-3 -0.067413 -0.023267 0.033567 -0.341772 0.252431 0.313479 6C 1s -0.015603 -0.018162 -0.003162 0.005970 -0.002290 0.007541 6C 2s -0.027194 -0.031469 0.002563 0.014808 -0.002616 0.015688 6C 3s -0.055358 -0.070521 -0.229142 -0.097237 -0.047332 -0.045078 6C 4s 1.366916 1.620951 0.829311 -0.279535 0.277622 -0.498924 6C 5s 0.082364 0.130229 -0.490656 -0.212163 -0.012784 -0.159928 6C 1pz -0.026617 -0.026197 0.006235 -0.029823 -0.050228 0.043345 6C 1px -0.032262 -0.042859 -0.020021 0.146765 0.153192 -0.090050 6C 1py 0.044034 0.055228 -0.001355 0.001061 0.029569 -0.037014 6C 2pz -0.055905 -0.119110 0.168904 -0.032440 -0.224044 0.249940 6C 2px -0.111754 -0.198006 0.047320 0.507933 0.596939 -0.234227 6C 2py 0.217015 0.136695 -0.276278 -0.094833 0.157978 -0.308007 6C 3pz -0.191085 -0.323144 -0.255088 -0.135203 -0.143066 0.054594 6C 3px -0.192342 -0.277818 -0.240713 0.148979 0.197464 -0.134647 6C 3py 0.480297 0.541785 0.483182 0.157081 0.150736 -0.045726 6C 1dz2 -0.081403 -0.079239 -0.030036 0.080692 0.060010 -0.014932 6C 1dxz -0.094494 -0.106399 -0.044924 -0.047430 -0.112439 0.105399 6C 1dyz 0.013825 0.008198 0.036977 -0.062098 -0.087266 0.064824 6C 1dx2y2 0.165394 0.197534 0.097552 -0.144831 -0.096954 0.012656 6C 1dxy 0.044180 0.058341 0.027666 0.151442 0.198623 -0.126870 6C 2dz2 -0.230405 -0.247430 -0.183154 0.222625 0.210408 -0.110950 6C 2dxz -0.317022 -0.393066 -0.293324 -0.282844 -0.459491 0.363383 6C 2dyz 0.082733 0.060481 0.083591 -0.309342 -0.326683 0.154854 6C 2dx2y2 0.583178 0.655891 0.499308 -0.410087 -0.287518 0.064625 6C 2dxy 0.180375 0.251366 0.180392 0.558961 0.730531 -0.490260 6C 1f0 -0.007617 -0.008198 -0.030102 -0.124896 -0.137853 0.090059 6C 1f+1 -0.014645 0.019575 -0.008072 0.063675 0.067133 -0.041177 6C 1f-1 -0.035686 -0.005783 -0.017985 0.138668 0.157687 -0.099502 6C 1f+2 -0.052597 -0.062275 -0.070972 0.320946 0.354700 -0.229050 6C 1f-2 -0.012329 -0.017496 -0.024551 -0.133707 -0.151217 0.084134 6C 1f+3 -0.018546 0.013202 0.004656 0.352498 0.381007 -0.224044 6C 1f-3 -0.067193 -0.023556 -0.033894 0.305458 0.346162 -0.224429 7C 1s 0.018008 -0.014571 -0.003623 -0.007026 -0.000962 -0.006805 7C 2s 0.030868 -0.024562 0.001593 -0.013818 -0.000791 -0.013348 7C 3s 0.075773 -0.075188 -0.224151 0.011490 -0.038934 0.013105 7C 4s -1.613242 1.332152 0.851061 0.553165 0.184463 0.505451 7C 5s -0.147133 0.025441 -0.487049 0.090227 0.005904 0.130931 7C 1pz 0.056745 -0.042943 0.002029 -0.047366 -0.038069 -0.060112 7C 1px 0.012158 -0.008441 -0.016170 0.090867 0.133453 0.141811 7C 1py 0.036083 -0.032240 -0.003900 0.005265 0.026367 0.016481 7C 2pz 0.176801 -0.182573 0.274154 -0.292569 -0.258383 -0.386755 7C 2px -0.006195 -0.017993 -0.028558 0.260024 0.522346 0.450012 7C 2py 0.165328 -0.045741 0.151955 -0.078534 0.049248 -0.062336 7C 3pz 0.536155 -0.467158 -0.501345 -0.052024 -0.112693 -0.121894 7C 3px 0.155160 -0.120521 -0.126896 0.122961 0.193750 0.203457 7C 3py 0.413729 -0.247447 -0.332364 0.021260 0.015331 0.005111 7C 1dz2 0.105955 -0.081458 -0.069927 0.032587 0.097933 0.077444 7C 1dxz 0.114158 -0.084103 -0.033649 -0.142533 -0.167486 -0.205702 7C 1dyz 0.044016 -0.042862 -0.050236 0.002860 0.008348 0.000307 7C 1dx2y2 -0.168974 0.149547 0.078174 0.054409 -0.008586 0.036152 7C 1dxy -0.061777 0.055974 0.035004 -0.067413 -0.126634 -0.099980 7C 2dz2 0.365970 -0.324290 -0.326457 0.106068 0.317495 0.241137 7C 2dxz 0.416505 -0.303348 -0.239901 -0.524664 -0.649721 -0.744172 7C 2dyz 0.202531 -0.174657 -0.186969 -0.057628 0.017586 -0.056744 7C 2dx2y2 -0.596531 0.501469 0.454543 0.174280 0.038591 0.138357 7C 2dxy -0.179622 0.177894 0.178847 -0.280427 -0.450680 -0.411260 7C 1f0 -0.019667 0.031510 0.034082 -0.181527 -0.260168 -0.278849 7C 1f+1 -0.001864 0.002036 -0.018906 0.170220 0.265003 0.267608 7C 1f-1 -0.049429 0.043724 0.074221 -0.047820 -0.074670 -0.073517 7C 1f+2 0.030515 -0.051270 -0.046477 0.124834 0.170071 0.189656 7C 1f-2 -0.015339 -0.026977 -0.011147 0.214778 0.308560 0.316893 7C 1f+3 0.019156 -0.003973 -0.016782 0.188625 0.265002 0.273031 7C 1f-3 -0.020377 -0.008518 -0.005811 0.033736 0.052027 0.050365 8C 1s -0.002688 -0.003353 -0.002661 0.001686 0.000318 0.000948 8C 2s -0.003630 -0.004492 -0.004194 0.001606 0.000098 0.001068 8C 3s 0.080828 0.098949 0.147292 0.023393 0.033214 -0.009845 8C 4s 0.045579 0.032817 -0.240304 -0.191315 -0.071988 -0.128076 8C 5s 0.537467 0.656913 0.724427 0.237890 0.153778 0.048903 8C 1pz -0.009459 -0.017455 -0.014440 0.019782 0.017611 -0.007884 8C 1px -0.001764 -0.009476 -0.009585 -0.048379 -0.059078 0.037813 8C 1py 0.021352 0.020784 0.027519 -0.011605 -0.006540 0.000729 8C 2pz -0.010752 0.024711 0.081155 -0.109810 -0.164921 0.146994 8C 2px -0.073078 -0.023911 0.037110 0.383411 0.408371 -0.209394 8C 2py 0.080191 0.087017 -0.082866 0.009673 0.110328 -0.174808 8C 3pz -0.172781 -0.177827 -0.139511 -0.014858 -0.029560 0.004697 8C 3px 0.001734 0.006574 -0.031464 -0.031395 0.005773 -0.004730 8C 3py 0.103892 0.148343 0.157665 0.048704 0.030296 0.018105 8C 1dz2 0.000077 0.005917 0.001485 -0.022877 -0.025387 0.014719 8C 1dxz -0.002604 0.004253 -0.004301 0.035647 0.043888 -0.029612 8C 1dyz -0.007030 -0.008597 -0.001652 0.036366 0.036266 -0.016157 8C 1dx2y2 -0.008040 0.000145 0.006621 0.039128 0.040318 -0.017536 8C 1dxy 0.004453 0.002185 0.008690 -0.053247 -0.067773 0.045413 8C 2dz2 0.032215 0.013430 0.035627 0.041200 0.045369 -0.017281 8C 2dxz 0.040269 0.032170 0.034924 0.043400 0.073022 -0.064691 8C 2dyz -0.036394 -0.018494 0.050594 0.028559 -0.004332 0.039105 8C 2dx2y2 -0.026973 -0.049158 -0.018850 -0.083850 -0.121831 0.089347 8C 2dxy -0.023569 -0.004362 0.007441 0.108599 0.121502 -0.056623 8C 1f0 -0.018541 -0.022974 -0.019871 0.009944 0.006788 -0.003515 8C 1f+1 -0.029457 -0.032391 -0.024159 0.026490 0.019115 -0.005097 8C 1f-1 0.009378 0.002650 0.005361 -0.012193 -0.012144 0.007189 8C 1f+2 -0.005467 -0.005206 -0.015806 -0.037600 -0.039193 0.021345 8C 1f-2 0.022723 0.026640 0.012950 -0.002555 0.009597 -0.016801 8C 1f+3 -0.027305 -0.034070 -0.022485 -0.030603 -0.047077 0.039429 8C 1f-3 0.041903 0.046050 0.034441 -0.059956 -0.052875 0.024508 9C 1s 0.003323 -0.002680 -0.002832 -0.000955 0.000703 -0.000510 9C 2s 0.004478 -0.003693 -0.004375 -0.001277 0.000617 -0.000745 9C 3s -0.098606 0.087975 0.144693 0.029683 0.016137 0.023716 9C 4s -0.042968 0.007585 -0.214109 0.056577 -0.036861 0.069308 9C 5s -0.645484 0.561040 0.739401 -0.033205 0.043105 -0.011556 9C 1pz 0.020716 -0.021748 -0.027581 0.002529 0.014796 0.008873 9C 1px 0.004997 -0.003021 -0.005409 -0.036456 -0.051168 -0.052882 9C 1py 0.019362 -0.009169 -0.016952 -0.012752 -0.009284 -0.013054 9C 2pz 0.079951 -0.039957 0.086131 -0.175430 -0.168401 -0.232945 9C 2px 0.038124 -0.048288 -0.001122 0.225603 0.364813 0.339121 9C 2py 0.007240 -0.035711 0.070318 -0.009239 0.029106 -0.015636 9C 3pz 0.185004 -0.140282 -0.177580 0.010064 -0.008827 0.004127 9C 3px -0.084330 0.069022 0.017051 0.014971 0.014688 0.006929 9C 3py 0.119234 -0.127638 -0.126392 -0.000742 -0.004854 -0.001879 9C 1dz2 0.001443 0.006728 -0.002020 -0.019297 -0.034014 -0.030026 9C 1dxz 0.002208 -0.002336 -0.010458 0.044937 0.064166 0.065404 9C 1dyz -0.006096 0.001464 -0.002708 0.001672 -0.005138 -0.000895 9C 1dx2y2 0.006467 0.000092 0.003563 -0.004457 -0.000932 -0.006680 9C 1dxy -0.000708 -0.002395 -0.001973 0.030550 0.047205 0.048585 9C 2dz2 -0.047582 0.008029 -0.007615 0.075823 0.087620 0.102883 9C 2dxz -0.014735 0.013338 0.030698 -0.023335 -0.041088 -0.030596 9C 2dyz -0.014748 0.028864 -0.044295 -0.000878 -0.033511 -0.001850 9C 2dx2y2 0.050872 -0.055809 -0.051697 -0.096132 -0.118392 -0.120219 9C 2dxy 0.018078 -0.011377 -0.024297 -0.036862 -0.068699 -0.071028 9C 1f0 0.019531 -0.012174 -0.013021 0.024594 0.043173 0.040399 9C 1f+1 0.049373 -0.039760 -0.036355 -0.029407 -0.021393 -0.036169 9C 1f-1 -0.003183 0.003714 0.010414 0.001766 0.005150 0.001936 9C 1f+2 -0.030169 0.027744 0.018759 -0.010334 -0.031072 -0.022681 9C 1f-2 -0.002670 0.006254 0.010654 -0.025255 -0.034157 -0.037234 9C 1f+3 -0.001903 -0.000072 -0.000569 -0.018503 -0.025480 -0.026096 9C 1f-3 0.042066 -0.036938 -0.034401 -0.001069 0.016594 0.006857 10H 1s -0.008911 0.007889 0.001339 0.051735 -0.064435 0.058109 10H 2s -0.001640 0.005211 0.022139 0.167338 -0.204864 0.176369 10H 3s 0.066967 -0.052987 -0.000233 0.000203 0.016164 -0.000835 10H 1pz 0.011554 -0.008567 0.010175 0.053361 -0.060822 0.056086 10H 1px 0.024205 -0.020458 0.013748 -0.036356 0.050691 -0.041184 10H 1py 0.013358 -0.010320 0.012510 0.025112 -0.029491 0.029835 11H 1s 0.014888 -0.012679 0.007487 -0.010315 0.018731 -0.015547 11H 2s 0.006004 -0.010458 0.003037 -0.013559 0.031866 -0.020486 11H 3s -0.091722 0.087584 -0.058847 -0.010939 0.001892 -0.005091 11H 1pz 0.007157 -0.003845 0.012514 -0.005781 0.008414 -0.008104 11H 1px 0.009405 -0.008780 0.004209 -0.006110 0.010254 -0.005368 11H 1py -0.008573 0.009550 -0.003116 -0.008709 0.005372 -0.007446 12H 1s 0.005833 -0.009094 0.008974 -0.029884 0.033026 -0.030153 12H 2s -0.030502 0.015183 -0.022007 -0.059650 0.067480 -0.052765 12H 3s -0.041477 0.031767 -0.033064 0.003970 0.000403 0.000352 12H 1pz 0.001494 -0.004764 0.007117 -0.007995 0.009521 -0.009511 12H 1px -0.003547 0.001446 -0.007689 -0.013934 0.017218 -0.014743 12H 1py -0.005796 -0.002735 0.002478 -0.021113 0.022700 -0.021888 13H 1s 0.012009 0.010583 0.002113 0.074654 -0.049780 -0.057135 13H 2s 0.010967 0.011630 0.021763 0.200709 -0.158706 -0.178689 13H 3s -0.048107 -0.053126 -0.005102 -0.038353 0.011442 0.003038 13H 1pz 0.002615 0.002279 0.006229 0.063627 -0.046173 -0.050506 13H 1px -0.021536 -0.025489 0.015546 -0.038957 0.024945 0.027710 13H 1py 0.009266 0.012407 -0.011127 -0.047897 0.039675 0.047314 14H 1s -0.008634 -0.003415 0.008004 -0.039494 0.029903 0.040978 14H 2s 0.011216 0.037289 -0.022075 -0.076088 0.072833 0.085734 14H 3s 0.011992 0.017826 -0.022936 -0.015430 0.005212 -0.007675 14H 1pz -0.004176 0.003498 0.006732 -0.013686 0.013193 0.018674 14H 1px 0.001070 0.010396 -0.008285 -0.030357 0.025728 0.031880 14H 1py 0.007343 0.005473 -0.007377 0.011867 -0.009526 -0.011344 15H 1s -0.014525 -0.017137 0.006771 -0.018676 0.008861 0.006922 15H 2s -0.027090 -0.019707 0.018732 -0.029447 0.019380 0.007342 15H 3s 0.100089 0.106967 -0.066235 -0.004038 0.013351 0.014482 15H 1pz 0.017315 0.015330 -0.006519 0.004275 0.001677 0.006929 15H 1px -0.002617 -0.003248 0.001858 -0.007213 0.006305 0.008732 15H 1py 0.009512 0.013076 -0.017653 0.004744 -0.004266 -0.005220 16H 1s -0.018677 0.032975 0.014710 0.047109 -0.028761 0.062640 16H 2s 0.010307 0.016288 0.086900 0.069094 -0.040564 0.124691 16H 3s 0.014385 -0.034264 -0.054121 -0.025106 0.051254 -0.013878 16H 1pz -0.005481 0.021337 0.030086 0.048059 -0.028781 0.071925 16H 1px -0.007760 0.013383 -0.005582 -0.002694 0.005073 -0.010539 16H 1py -0.009801 0.010418 0.011566 0.014276 -0.015512 0.032809 17H 1s -0.010608 -0.033924 0.017576 -0.036751 -0.030070 -0.004599 17H 2s 0.020685 -0.009967 0.091976 -0.032793 -0.038955 0.067382 17H 3s 0.006934 0.026645 -0.055526 0.002179 0.056780 0.005001 17H 1pz 0.000884 0.023180 -0.021672 0.023999 0.019623 -0.007562 17H 1px -0.004210 -0.000429 -0.025055 0.021058 0.019182 -0.022948 17H 1py -0.004764 -0.015286 0.017608 -0.013593 -0.020018 0.016593 18H 1s 0.010855 0.033785 0.016684 -0.035936 0.023714 0.012668 18H 2s -0.018887 0.008526 0.089164 -0.025639 0.020508 0.094387 18H 3s -0.006350 -0.026659 -0.055300 0.010174 -0.055876 -0.005926 18H 1pz 0.001168 0.023465 0.021577 -0.023607 0.014364 0.018873 18H 1px -0.003339 -0.000932 0.024019 -0.018845 0.011209 0.034946 18H 1py -0.004903 -0.014550 -0.016228 0.012032 -0.013979 -0.026070 19H 1s 0.018349 -0.033730 0.014617 0.041900 0.026158 0.054162 19H 2s -0.011886 -0.019081 0.086242 0.063849 0.032215 0.102245 19H 3s -0.015066 0.034015 -0.054016 -0.017143 -0.051990 -0.021228 19H 1pz -0.004626 0.022221 -0.029380 -0.043124 -0.024456 -0.060292 19H 1px -0.008159 0.012673 0.005841 0.002484 0.004169 0.009468 19H 1py -0.009924 0.011497 -0.012246 -0.013204 -0.013259 -0.030729 20H 1s 0.014486 0.017042 0.006795 -0.017837 -0.012939 0.003730 20H 2s 0.026362 0.018884 0.017968 -0.026957 -0.025170 0.002132 20H 3s -0.099509 -0.105813 -0.065674 -0.002438 -0.015982 0.010691 20H 1pz 0.017044 0.015081 0.006306 -0.004428 0.002095 -0.006336 20H 1px -0.002711 -0.003316 -0.001814 0.006525 0.008775 -0.006550 20H 1py 0.009376 0.012744 0.017473 -0.004260 -0.005875 0.003884 21H 1s 0.008770 0.003637 0.008033 -0.034998 -0.041052 0.029742 21H 2s -0.011901 -0.037016 -0.022460 -0.064647 -0.094529 0.060163 21H 3s -0.013051 -0.019275 -0.023326 -0.014709 -0.006452 -0.008434 21H 1pz -0.004083 0.003588 -0.006672 0.011552 0.017555 -0.013854 21H 1px 0.001134 0.010089 0.008252 0.026331 0.034095 -0.022424 21H 1py 0.007147 0.005169 0.007298 -0.010433 -0.012717 0.007725 22H 1s -0.011948 -0.010735 0.002147 0.067834 0.068994 -0.039692 22H 2s -0.010348 -0.011065 0.022641 0.179895 0.214531 -0.124021 22H 3s 0.048585 0.053728 -0.005007 -0.037164 -0.017680 -0.002182 22H 1pz 0.002419 0.002097 -0.006363 -0.057192 -0.062582 0.034282 22H 1px -0.021703 -0.025610 -0.015511 0.035920 0.034939 -0.018896 22H 1py 0.009417 0.012491 0.011319 0.042901 0.053868 -0.033567 23H 1s -0.006252 0.009242 0.009041 -0.023111 -0.031636 -0.030225 23H 2s 0.029747 -0.015084 -0.021925 -0.045242 -0.064951 -0.053318 23H 3s 0.043643 -0.033940 -0.034014 0.003883 -0.000162 0.000768 23H 1pz 0.000954 -0.004324 -0.006943 0.006229 0.008881 0.009673 23H 1px -0.003210 0.001255 0.007475 0.010227 0.016219 0.014729 23H 1py -0.005435 -0.002872 -0.002642 0.016274 0.021369 0.021850 24H 1s -0.014689 0.012474 0.007578 -0.007404 -0.018133 -0.016881 24H 2s -0.004619 0.008540 0.001235 -0.008753 -0.031164 -0.024015 24H 3s 0.090150 -0.085802 -0.057782 -0.009560 -0.002860 -0.003015 24H 1pz 0.006801 -0.003397 -0.012133 0.004580 0.008144 0.009035 24H 1px 0.009069 -0.008358 -0.003722 0.004449 0.010467 0.006366 24H 1py -0.008102 0.008962 0.002785 0.007579 0.005625 0.007447 25H 1s 0.009121 -0.007887 0.001176 0.039952 0.062253 0.060525 25H 2s 0.000819 -0.004572 0.022676 0.129724 0.200501 0.183872 25H 3s -0.068135 0.053101 0.000007 0.003630 -0.016092 -0.001106 25H 1pz 0.011659 -0.008641 -0.010264 -0.042274 -0.059704 -0.057990 25H 1px 0.024303 -0.020356 -0.013830 0.027077 0.049112 0.043279 25H 1py 0.013768 -0.010546 -0.012577 -0.019431 -0.027773 -0.030110 26O 1s -0.004000 0.003634 0.000070 0.001965 -0.003828 0.002523 26O 2s -0.013805 0.012533 -0.001367 0.007349 -0.013929 0.009333 26O 3s 0.198525 -0.180717 0.045670 -0.102265 0.189289 -0.129500 26O 4s -0.525956 0.505592 -0.202499 0.394314 -0.581827 0.477703 26O 5s -0.855758 0.604527 -0.714977 -0.269779 -0.199880 -0.252730 26O 1pz -0.061734 0.051205 -0.052888 -0.063774 0.056695 -0.067309 26O 1px -0.045963 0.040588 0.000286 0.051593 -0.092352 0.062614 26O 1py -0.057608 0.042147 -0.031947 -0.019014 0.000773 -0.019133 26O 2pz 0.269543 -0.204758 0.219458 0.359015 -0.341229 0.398478 26O 2px 0.353574 -0.307615 0.157365 -0.232783 0.429644 -0.281457 26O 2py 0.292612 -0.241485 0.190983 0.142222 -0.050482 0.132367 26O 3pz 0.079474 -0.042785 -0.132196 -0.145913 0.164114 -0.191774 26O 3px 0.270579 -0.188949 -0.047937 -0.126260 0.336151 -0.160654 26O 3py 0.119983 -0.135687 -0.085570 -0.165475 0.211795 -0.146920 26O 1dz2 0.049642 0.004429 0.094697 0.115449 -0.172428 0.192289 26O 1dxz 0.330282 -0.233008 0.288342 0.126850 -0.091264 0.159231 26O 1dyz 0.185128 -0.161152 0.159936 0.238942 -0.176450 0.233209 26O 1dx2y2 -0.076671 0.124310 -0.189093 -0.164858 0.166810 -0.121973 26O 1dxy 0.168163 -0.150470 0.075155 0.059381 0.023634 0.038996 26O 2dz2 0.014812 -0.061856 -0.069334 -0.182595 0.276367 -0.269420 26O 2dxz -0.420445 0.286700 -0.349667 -0.350037 0.322229 -0.410378 26O 2dyz -0.224525 0.182764 -0.188366 -0.369915 0.314683 -0.380993 26O 2dx2y2 0.018671 -0.078004 0.177672 0.311684 -0.361669 0.285424 26O 2dxy -0.278089 0.250884 -0.135831 -0.132883 0.009565 -0.106971 26O 1f0 -0.109411 0.061233 -0.072005 -0.150691 0.157703 -0.188561 26O 1f+1 -0.030670 0.032385 -0.002781 0.129763 -0.167353 0.146462 26O 1f-1 -0.048587 0.048208 -0.019920 -0.015364 -0.015661 -0.013966 26O 1f+2 0.105817 -0.080365 0.084446 0.108616 -0.089004 0.111929 26O 1f-2 0.078161 -0.049982 0.041339 0.200484 -0.205523 0.219693 26O 1f+3 0.035694 -0.048028 0.059575 0.164936 -0.179430 0.167843 26O 1f-3 -0.079802 0.076042 -0.019040 -0.011252 -0.035621 0.003554 27O 1s 0.004090 0.004513 0.000036 0.006156 -0.002741 -0.002175 27O 2s 0.014134 0.015529 -0.001297 0.021550 -0.010179 -0.008341 27O 3s -0.201969 -0.222388 0.042691 -0.285872 0.138789 0.119154 27O 4s 0.547894 0.578079 -0.192701 0.779781 -0.430503 -0.467333 27O 5s 0.725108 0.970635 -0.620294 0.447489 -0.170702 0.257151 27O 1pz 0.020097 0.033616 -0.033350 -0.055040 0.042728 0.051978 27O 1px 0.063096 0.071256 -0.004102 0.126219 -0.069454 -0.049034 27O 1py -0.053972 -0.066746 0.051048 0.039006 -0.039546 -0.059362 27O 2pz -0.074976 -0.112108 0.120604 0.309222 -0.233185 -0.299080 27O 2px -0.415564 -0.472185 0.174096 -0.550519 0.304496 0.219641 27O 2py 0.229529 0.311188 -0.229343 -0.285633 0.243117 0.345802 27O 3pz -0.040927 0.010597 -0.040430 -0.027649 0.032416 0.107599 27O 3px -0.292994 -0.362382 -0.057910 -0.438962 0.319679 0.164482 27O 3py 0.086775 0.124480 0.088910 0.217352 -0.143479 -0.154551 27O 1dz2 0.049224 0.117243 0.004109 0.067855 -0.026138 -0.004359 27O 1dxz -0.197999 -0.186018 0.228337 0.093786 -0.121605 -0.173395 27O 1dyz 0.055438 0.051682 -0.047603 -0.144939 0.116078 0.204923 27O 1dx2y2 -0.005674 0.045269 -0.161989 -0.318325 0.189197 0.152944 27O 1dxy 0.266220 0.365437 -0.278930 -0.046580 0.117393 0.182886 27O 2dz2 -0.122789 -0.201719 0.029667 -0.119719 0.044395 -0.001919 27O 2dxz 0.213041 0.205930 -0.263842 -0.308046 0.287237 0.380139 27O 2dyz -0.052143 -0.048111 0.049378 0.189312 -0.155415 -0.253373 27O 2dx2y2 0.111202 0.063431 0.135079 0.544009 -0.336796 -0.293028 27O 2dxy -0.337267 -0.487211 0.354886 0.265171 -0.304123 -0.431296 27O 1f0 0.031142 0.023611 -0.047425 -0.119761 0.101491 0.119647 27O 1f+1 0.063884 0.069817 -0.009839 0.069010 -0.028446 -0.001896 27O 1f-1 -0.036918 -0.042775 0.024966 0.071176 -0.062907 -0.099764 27O 1f+2 -0.060373 -0.067685 0.070707 0.176866 -0.131890 -0.179854 27O 1f-2 -0.023439 -0.026329 0.028051 -0.110236 0.079553 0.096282 27O 1f+3 0.045863 0.021968 0.029130 0.273419 -0.188453 -0.196908 27O 1f-3 -0.109156 -0.173217 0.100923 0.180987 -0.158319 -0.218058 28O 1s -0.004101 0.003228 0.000834 -0.005272 0.004388 -0.005801 28O 2s -0.014073 0.010988 0.001632 -0.018621 0.015998 -0.020403 28O 3s 0.204436 -0.160036 0.001614 0.257251 -0.228590 0.280935 28O 4s -0.556096 0.424842 -0.071145 -0.742694 0.740126 -0.820896 28O 5s -0.842423 0.702310 -0.574318 -0.547196 0.361418 -0.520442 28O 1pz -0.083522 0.072456 -0.041313 -0.036926 0.015433 -0.034376 28O 1px 0.017072 -0.006006 -0.043020 0.103352 -0.106591 0.114356 28O 1py -0.047076 0.037611 -0.040667 0.016860 -0.032237 0.024109 28O 2pz 0.464043 -0.392788 0.269944 0.138254 -0.042818 0.106768 28O 2px -0.213081 0.148304 0.062274 -0.542436 0.569690 -0.600964 28O 2py 0.198123 -0.183681 0.187270 -0.135089 0.191763 -0.159970 28O 3pz 0.266220 -0.181108 -0.151701 0.265189 -0.361161 0.321302 28O 3px -0.222234 0.180618 0.049779 -0.259229 0.291979 -0.244824 28O 3py 0.046742 -0.079255 -0.086258 0.096884 -0.104188 0.070755 28O 1dz2 0.317406 -0.222493 0.275187 0.011931 0.140656 -0.082160 28O 1dxz -0.116511 0.105216 0.036255 -0.180147 0.145277 -0.213286 28O 1dyz 0.201916 -0.226075 0.215537 -0.105931 0.167349 -0.099274 28O 1dx2y2 -0.128879 0.143124 -0.249226 0.126467 -0.149427 0.114620 28O 1dxy -0.135843 0.144407 -0.133495 -0.049613 0.010859 -0.068496 28O 2dz2 -0.401311 0.298502 -0.363321 0.132376 -0.344425 0.257036 28O 2dxz 0.259734 -0.220320 0.011137 0.276625 -0.220364 0.307050 28O 2dyz -0.250829 0.284009 -0.272835 0.203108 -0.305960 0.211742 28O 2dx2y2 0.102103 -0.128307 0.290940 -0.310238 0.366717 -0.325030 28O 2dxy 0.190066 -0.209112 0.189147 -0.026574 0.089429 -0.016035 28O 1f0 0.026625 -0.029779 0.063302 -0.147709 0.169796 -0.161170 28O 1f+1 -0.173706 0.135900 -0.120382 0.073026 -0.147893 0.114787 28O 1f-1 0.008207 -0.019552 0.014699 -0.085286 0.109721 -0.090852 28O 1f+2 0.045590 -0.036869 -0.033347 0.134199 -0.148868 0.159388 28O 1f-2 -0.092536 0.105283 -0.083297 0.122934 -0.160342 0.139843 28O 1f+3 -0.044127 0.049922 -0.087959 0.132008 -0.157008 0.148183 28O 1f-3 -0.065893 0.076542 -0.069765 0.016546 -0.032591 0.009608 29O 1s 0.000653 0.000062 0.001516 0.000131 0.000483 -0.000809 29O 2s 0.001978 0.000123 0.003629 0.000218 0.001905 -0.003060 29O 3s -0.025313 -0.000662 -0.029651 0.000260 -0.033756 0.054950 29O 4s 0.068775 -0.000258 0.095355 0.003984 0.069941 -0.130668 29O 5s -0.096021 -0.004640 -0.342849 -0.057411 0.129169 -0.090022 29O 1pz 0.003477 -0.012933 -0.006414 -0.019691 0.004157 -0.016709 29O 1px -0.004579 -0.004275 0.016403 -0.003906 -0.008496 0.001928 29O 1py 0.000834 0.000693 -0.010456 -0.000372 0.012545 -0.010064 29O 2pz -0.015797 0.064898 0.028272 0.100916 -0.018479 0.086638 29O 2px 0.010148 0.023333 -0.077022 0.021825 0.037796 -0.022071 29O 2py -0.011477 -0.004905 0.053753 0.002650 -0.061003 0.063081 29O 3pz -0.000244 -0.036186 -0.044796 0.014615 0.016982 0.010456 29O 3px 0.014861 -0.014323 0.132074 0.027507 -0.043749 -0.001790 29O 3py 0.029118 0.003703 0.033931 -0.000330 0.022967 0.051357 29O 1dz2 -0.014528 0.037708 0.009701 0.017703 -0.017998 0.035057 29O 1dxz 0.009558 -0.046483 0.007480 -0.002995 -0.023591 0.006543 29O 1dyz -0.012829 -0.002845 -0.000395 0.037380 -0.005920 0.027051 29O 1dx2y2 -0.001150 -0.026547 0.004951 -0.000602 0.022969 -0.002345 29O 1dxy 0.044154 0.012312 -0.003763 0.013010 0.015764 0.012220 29O 2dz2 0.018711 -0.047943 -0.025175 -0.041762 0.034027 -0.073091 29O 2dxz -0.008390 0.054630 -0.021588 0.018675 0.035471 -0.011068 29O 2dyz 0.014305 -0.017022 -0.000639 -0.072499 0.007706 -0.051846 29O 2dx2y2 0.000461 0.028480 0.001169 0.006913 -0.025549 0.010559 29O 2dxy -0.038760 -0.019273 0.019207 -0.024743 -0.029045 -0.003249 29O 1f0 -0.008425 0.002812 0.011759 0.002790 -0.014702 0.021394 29O 1f+1 0.002808 0.000944 -0.002681 0.002044 0.003868 -0.006186 29O 1f-1 -0.006972 0.017046 0.018475 0.021663 -0.019731 0.038502 29O 1f+2 0.006058 -0.003246 -0.001557 -0.011071 0.002950 -0.015964 29O 1f-2 -0.003444 -0.024720 0.015276 -0.018069 -0.016493 0.002857 29O 1f+3 0.002290 0.006177 -0.002480 0.007180 0.000564 -0.002586 29O 1f-3 -0.007709 0.011238 -0.002853 0.009198 0.002873 0.001791 30O 1s 0.003159 0.003786 0.001077 -0.003373 0.003900 0.005976 30O 2s 0.010685 0.012896 0.002226 -0.012688 0.014065 0.020990 30O 3s -0.153832 -0.186014 -0.003405 0.187581 -0.199961 -0.287363 30O 4s 0.395713 0.507285 -0.067541 -0.697035 0.637444 0.827742 30O 5s 0.687203 0.716962 -0.612968 0.005820 0.333170 0.558045 30O 1pz 0.042523 0.051785 -0.019709 -0.003183 0.020283 0.037395 30O 1px 0.006752 0.004511 -0.050716 0.099469 -0.088505 -0.120535 30O 1py -0.071622 -0.075055 0.044459 -0.020347 -0.006889 -0.021398 30O 2pz -0.262699 -0.285842 0.161737 0.007606 -0.093830 -0.138595 30O 2px 0.067202 0.106081 0.098072 -0.555439 0.486681 0.633529 30O 2py 0.367470 0.401627 -0.270207 0.148495 0.007351 0.044333 30O 3pz -0.164656 -0.135877 -0.136954 0.156233 -0.230018 -0.274099 30O 3px 0.146517 0.147879 0.012392 -0.086758 0.208696 0.243306 30O 3py 0.138683 0.194190 0.183580 -0.252049 0.283590 0.281795 30O 1dz2 -0.100127 -0.040196 0.100942 0.034105 0.010459 0.043920 30O 1dxz -0.004496 -0.011536 0.118064 -0.101966 0.104462 0.171197 30O 1dyz 0.266798 0.247516 -0.188587 0.187246 -0.067408 -0.047129 30O 1dx2y2 0.260428 0.340125 -0.364466 0.219513 -0.122439 -0.094636 30O 1dxy -0.048999 -0.074093 -0.046187 0.142734 -0.131564 -0.215405 30O 2dz2 0.121147 0.043669 -0.125737 0.064302 -0.087054 -0.139379 30O 2dxz -0.059776 -0.051753 -0.108877 0.200491 -0.204832 -0.295521 30O 2dyz -0.374817 -0.353369 0.263421 -0.345540 0.152611 0.129152 30O 2dx2y2 -0.330757 -0.399994 0.453949 -0.538436 0.352443 0.362436 30O 2dxy 0.133480 0.178323 0.007041 -0.166264 0.187377 0.292598 30O 1f0 0.009576 0.015277 0.026784 -0.027685 0.028973 0.055111 30O 1f+1 0.071219 0.046789 -0.056039 0.042833 -0.030057 -0.037965 30O 1f-1 0.041894 0.032500 -0.028435 0.107918 -0.069069 -0.073663 30O 1f+2 0.071769 0.072543 -0.092207 0.254407 -0.187338 -0.216306 30O 1f-2 -0.118036 -0.113525 0.043162 -0.081492 0.014826 0.008175 30O 1f+3 0.135398 0.159343 -0.134006 0.216199 -0.121503 -0.131808 30O 1f-3 0.020796 -0.001095 -0.045987 0.203475 -0.161758 -0.210741 31O 1s -0.003128 -0.003787 0.001088 -0.002784 -0.005256 0.004806 31O 2s -0.010595 -0.012895 0.002260 -0.010559 -0.018944 0.016760 31O 3s 0.152806 0.185925 -0.003775 0.157302 0.268800 -0.227586 31O 4s -0.394873 -0.507006 -0.067052 -0.604253 -0.857947 0.623966 31O 5s -0.682837 -0.713890 -0.610272 0.070359 -0.414646 0.517114 31O 1pz 0.042293 0.051764 0.019663 -0.000015 0.026349 -0.032437 31O 1px 0.007398 0.004583 0.051019 -0.086298 -0.119993 0.091759 31O 1py -0.071481 -0.075001 -0.044505 0.021765 -0.007187 0.021515 31O 2pz -0.261988 -0.285575 -0.161731 0.007318 -0.115800 0.119114 31O 2px 0.065078 0.105430 -0.099122 0.483154 0.657263 -0.476995 31O 2py 0.366966 0.401290 0.270602 -0.151706 -0.006896 -0.057854 31O 3pz -0.161614 -0.135807 0.138562 -0.120645 -0.290797 0.214614 31O 3px 0.143356 0.146971 -0.014082 0.050314 0.255377 -0.207222 31O 3py 0.135616 0.194342 -0.185181 0.209061 0.357908 -0.203249 31O 1dz2 0.101059 0.039997 0.101136 0.036645 -0.011656 0.044923 31O 1dxz 0.006412 0.011558 0.118957 -0.085606 -0.143952 0.139617 31O 1dyz -0.267009 -0.247590 -0.188992 0.180910 0.100060 -0.008033 31O 1dx2y2 -0.262621 -0.340197 -0.365775 0.202976 0.165800 -0.048082 31O 1dxy 0.047841 0.074038 -0.046713 0.122437 0.183294 -0.172988 31O 2dz2 -0.122279 -0.043637 -0.126061 0.050486 0.115844 -0.114671 31O 2dxz 0.057339 0.051518 -0.109970 0.169011 0.276338 -0.234125 31O 2dyz 0.374754 0.353557 0.263976 -0.328330 -0.219149 0.053736 31O 2dx2y2 0.333327 0.400421 0.455656 -0.489223 -0.479392 0.234464 31O 2dxy -0.131854 -0.178123 0.007616 -0.136891 -0.253495 0.237059 31O 1f0 0.008828 0.015176 -0.027026 0.023118 0.040957 -0.045901 31O 1f+1 0.071363 0.046790 0.056102 -0.038393 -0.041347 0.027347 31O 1f-1 0.041862 0.032651 0.028545 -0.098181 -0.094903 0.048831 31O 1f+2 0.072164 0.072831 0.092646 -0.227349 -0.254460 0.152275 31O 1f-2 -0.117509 -0.113558 -0.043136 0.080459 0.027681 0.004058 31O 1f+3 0.135764 0.159501 0.134425 -0.199367 -0.171082 0.085154 31O 1f-3 0.021262 -0.000884 0.046244 -0.179685 -0.221024 0.156112 32O 1s -0.000650 -0.000064 0.001525 0.000144 -0.000320 -0.000884 32O 2s -0.001970 -0.000116 0.003668 0.000287 -0.001333 -0.003335 32O 3s 0.025211 0.000283 -0.030422 -0.001008 0.024209 0.059403 32O 4s -0.068363 0.000881 0.097063 0.005791 -0.046754 -0.139660 32O 5s 0.094769 0.008595 -0.340433 -0.044598 -0.120971 -0.104973 32O 1pz 0.003303 -0.013134 0.006260 0.018033 0.004518 0.011881 32O 1px -0.004596 -0.004146 -0.016302 0.004135 -0.007396 -0.005259 32O 1py 0.000891 0.000205 0.010243 -0.000325 0.010705 0.012480 32O 2pz -0.014541 0.066139 -0.027496 -0.092134 -0.020515 -0.056520 32O 2px 0.010535 0.022552 0.076340 -0.021039 0.029963 0.039152 32O 2py -0.011826 -0.002402 -0.052485 -0.000775 -0.049993 -0.074744 32O 3pz 0.001152 -0.035783 0.044221 -0.014726 0.014376 0.004098 32O 3px 0.015037 -0.013720 -0.132120 -0.019590 -0.048152 -0.001311 32O 3py 0.028886 0.004077 -0.033251 -0.006428 0.030774 -0.045871 32O 1dz2 0.014451 -0.038274 0.009525 0.014585 0.014969 0.032348 32O 1dxz -0.009738 0.046383 0.007140 -0.004917 0.021257 0.013803 32O 1dyz 0.011996 0.002282 0.000612 0.034235 0.008226 0.017851 32O 1dx2y2 0.001152 0.026667 0.005192 0.002476 -0.022112 -0.005144 32O 1dxy -0.044558 -0.011813 -0.003200 0.013310 -0.014887 0.004611 32O 2dz2 -0.018249 0.048227 -0.024925 -0.034693 -0.028647 -0.064483 32O 2dxz 0.008397 -0.054815 -0.020941 0.020223 -0.029428 -0.026442 32O 2dyz -0.013101 0.018311 -0.002499 -0.066825 -0.012655 -0.031528 32O 2dx2y2 -0.000461 -0.029260 0.000776 0.004119 0.024376 0.011869 32O 2dxy 0.039411 0.018163 0.017933 -0.023783 0.024194 0.011232 32O 1f0 -0.008025 0.002152 -0.010500 -0.000944 -0.010651 -0.020450 32O 1f+1 0.003232 0.001608 0.003219 -0.002034 0.002984 0.009396 32O 1f-1 -0.007132 0.017564 -0.018733 -0.018975 -0.017308 -0.036399 32O 1f+2 0.005926 -0.003322 0.002421 0.010710 0.003020 0.014518 32O 1f-2 -0.003288 -0.024941 -0.014559 0.017864 -0.012207 -0.011853 32O 1f+3 0.002512 0.005223 0.001806 -0.005140 -0.001495 0.004898 32O 1f-3 -0.007784 0.011176 0.002577 -0.008719 0.001343 0.001599 33O 1s 0.004100 -0.003218 0.000846 -0.004486 -0.004179 -0.006046 33O 2s 0.014068 -0.010956 0.001673 -0.015757 -0.015272 -0.021296 33O 3s -0.204430 0.159665 0.001128 0.216369 0.218732 0.293572 33O 4s 0.556675 -0.424670 -0.070101 -0.607643 -0.710390 -0.848673 33O 5s 0.844895 -0.697862 -0.574129 -0.493044 -0.353556 -0.588573 33O 1pz -0.083610 0.072062 0.041341 0.034368 0.015233 0.036247 33O 1px 0.016787 -0.006212 0.043373 -0.084207 -0.102019 -0.120433 33O 1py -0.047557 0.037557 0.041032 -0.010812 -0.030313 -0.025078 33O 2pz 0.464953 -0.390664 -0.270431 -0.131935 -0.046291 -0.115396 33O 2px -0.212321 0.149034 -0.063591 0.439887 0.546231 0.630663 33O 2py 0.200498 -0.183411 -0.189125 0.098934 0.183146 0.165099 33O 3pz 0.265466 -0.180984 0.151924 -0.201417 -0.341036 -0.348990 33O 3px -0.222791 0.179949 -0.050841 0.212260 0.285428 0.286358 33O 3py 0.047375 -0.080161 0.086398 -0.076853 -0.105761 -0.072589 33O 1dz2 -0.318372 0.220238 0.275805 0.037442 -0.122939 -0.085715 33O 1dxz 0.116157 -0.104810 0.036448 -0.155222 -0.134694 -0.226177 33O 1dyz -0.204093 0.225044 0.217000 -0.072266 -0.164884 -0.097607 33O 1dx2y2 0.130318 -0.142448 -0.250599 0.100103 0.147063 0.127968 33O 1dxy 0.137000 -0.144360 -0.134145 -0.047775 -0.007842 -0.066323 33O 2dz2 0.402808 -0.295176 -0.364555 0.068730 0.317014 0.265554 33O 2dxz -0.259473 0.219485 0.010967 0.238726 0.207718 0.326907 33O 2dyz 0.253910 -0.282717 -0.275015 0.143337 0.298235 0.212811 33O 2dx2y2 -0.104211 0.127319 0.293081 -0.244514 -0.355106 -0.348317 33O 2dxy -0.192164 0.208967 0.190462 -0.009563 -0.088938 -0.020748 33O 1f0 0.026942 -0.029014 -0.063750 0.116108 0.162710 0.167508 33O 1f+1 -0.174428 0.134681 0.121104 -0.045762 -0.138315 -0.118521 33O 1f-1 0.008642 -0.019430 -0.015138 0.065285 0.106495 0.095527 33O 1f+2 0.045092 -0.036788 0.033884 -0.107791 -0.140906 -0.168324 33O 1f-2 -0.093920 0.104933 0.084235 -0.092818 -0.154369 -0.143398 33O 1f+3 -0.045093 0.049646 0.088905 -0.103567 -0.150926 -0.155678 33O 1f-3 -0.066592 0.076432 0.070142 -0.010289 -0.032847 -0.011291 34O 1s -0.004069 -0.004522 0.000032 0.005717 0.003935 -0.001264 34O 2s -0.014073 -0.015560 -0.001320 0.019931 0.014453 -0.004991 34O 3s 0.201328 0.222758 0.043156 -0.263678 -0.196571 0.073532 34O 4s -0.547501 -0.579057 -0.194578 0.714163 0.607933 -0.313688 34O 5s -0.723254 -0.968978 -0.620012 0.407971 0.193161 0.258750 34O 1pz 0.020396 0.033521 0.033423 0.048829 0.058175 -0.037519 34O 1px 0.062519 0.071423 0.004227 -0.115399 -0.094318 0.027354 34O 1py -0.054175 -0.066686 -0.051185 -0.033521 -0.053943 0.045528 34O 2pz -0.076122 -0.111567 -0.120707 -0.275484 -0.321077 0.218179 34O 2px -0.413904 -0.472488 -0.175254 0.502237 0.412920 -0.124140 34O 2py 0.230556 0.310767 0.229932 0.251875 0.335264 -0.259754 34O 3pz -0.040859 0.010779 0.040453 0.023995 0.052522 -0.088200 34O 3px -0.290518 -0.362114 0.058367 0.384698 0.404509 -0.089889 34O 3py 0.086502 0.124901 -0.088800 -0.196705 -0.196322 0.103146 34O 1dz2 -0.048623 -0.117440 0.004001 0.061809 0.036707 -0.002119 34O 1dxz 0.199551 0.185654 0.228845 0.076184 0.160369 -0.133251 34O 1dyz -0.055960 -0.051335 -0.047507 -0.129687 -0.166757 0.155734 34O 1dx2y2 0.003532 -0.044865 -0.162331 -0.289080 -0.256905 0.095252 34O 1dxy -0.267526 -0.365178 -0.279489 -0.031659 -0.150835 0.140089 34O 2dz2 0.122017 0.201898 0.029961 -0.109896 -0.061092 -0.007745 34O 2dxz -0.215082 -0.205234 -0.264243 -0.266896 -0.386488 0.281570 34O 2dyz 0.052708 0.047708 0.049219 0.168710 0.219217 -0.189508 34O 2dx2y2 -0.108452 -0.063937 0.135090 0.492417 0.456585 -0.187546 34O 2dxy 0.339029 0.486676 0.355532 0.224642 0.404888 -0.321030 34O 1f0 0.031427 0.023308 0.047397 0.104851 0.135795 -0.086449 34O 1f+1 0.063524 0.069905 0.009971 -0.063999 -0.038246 -0.005576 34O 1f-1 -0.037060 -0.042654 -0.024951 -0.062425 -0.087769 0.076580 34O 1f+2 -0.061144 -0.067396 -0.070791 -0.158063 -0.183542 0.132523 34O 1f-2 -0.023569 -0.026521 -0.028279 0.098827 0.108945 -0.067926 34O 1f+3 0.045071 0.022289 -0.028982 -0.245568 -0.255848 0.134932 34O 1f-3 -0.109620 -0.172929 -0.101050 -0.158825 -0.215923 0.161750 35O 1s 0.004023 -0.003625 0.000049 0.001307 0.003644 0.002791 35O 2s 0.013888 -0.012498 -0.001443 0.004940 0.013260 0.010302 35O 3s -0.199646 0.180229 0.046761 -0.069515 -0.179831 -0.143077 35O 4s 0.529399 -0.504388 -0.206060 0.289906 0.552291 0.506889 35O 5s 0.858723 -0.600150 -0.715691 -0.290449 0.187840 -0.178554 35O 1pz -0.061799 0.050989 0.052774 0.053156 0.054923 0.068237 35O 1px -0.046173 0.040326 -0.000019 -0.035327 -0.088428 -0.068233 35O 1py -0.057990 0.042124 0.032161 0.018592 0.000867 0.017715 35O 2pz 0.269563 -0.203986 -0.218658 -0.295208 -0.327662 -0.404075 35O 2px 0.354915 -0.306090 -0.159063 0.157420 0.410436 0.310794 35O 2py 0.294311 -0.241384 -0.191979 -0.131240 -0.052207 -0.126038 35O 3pz 0.079253 -0.043541 0.131786 0.115838 0.152284 0.194856 35O 3px 0.271014 -0.188745 0.047085 0.074404 0.320417 0.206743 35O 3py 0.120126 -0.136473 0.085363 0.129303 0.209313 0.164913 35O 1dz2 -0.049350 -0.004667 0.094227 0.084694 0.156154 0.197496 35O 1dxz -0.331233 0.231362 0.288371 0.109410 0.084732 0.155818 35O 1dyz -0.185727 0.160341 0.159855 0.203776 0.173795 0.228688 35O 1dx2y2 0.077910 -0.124381 -0.189675 -0.135210 -0.169725 -0.132773 35O 1dxy -0.169384 0.150195 0.075695 0.060631 -0.019882 0.027753 35O 2dz2 -0.015436 0.061930 -0.068447 -0.133189 -0.255588 -0.280566 35O 2dxz 0.421060 -0.284876 -0.348987 -0.289048 -0.306103 -0.410445 35O 2dyz 0.224994 -0.181913 -0.187915 -0.308718 -0.306514 -0.378381 35O 2dx2y2 -0.019793 0.078539 0.177730 0.247204 0.357479 0.306404 35O 2dxy 0.279749 -0.250576 -0.136573 -0.126633 -0.014144 -0.091401 35O 1f0 -0.109277 0.060931 0.071544 0.121308 0.148167 0.191033 35O 1f+1 -0.031114 0.032118 0.003292 -0.099136 -0.160404 -0.153402 35O 1f-1 -0.048987 0.048182 0.020126 0.017531 -0.014782 0.010114 35O 1f+2 0.105857 -0.079939 -0.084315 -0.091398 -0.086251 -0.112059 35O 1f-2 0.077840 -0.049868 -0.040684 -0.162177 -0.197873 -0.224672 35O 1f+3 0.035960 -0.048359 -0.059327 -0.132341 -0.175200 -0.175381 35O 1f-3 -0.080217 0.075927 0.019336 0.016482 -0.032556 -0.008760 738 739 740 741 742 743 7.23462 7.23868 14.11899 14.15094 14.20372 14.21398 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s 0.000032 -0.000095 0.000015 -0.000037 -0.000142 -0.000021 0Rh 2s -0.000150 0.000861 0.000019 -0.000059 -0.000160 -0.000025 0Rh 3s 0.000107 -0.000078 0.000104 -0.000270 -0.000998 -0.000148 0Rh 4s 0.001084 -0.005694 0.000095 -0.000162 -0.001061 -0.000131 0Rh 5s -0.003240 0.017609 -0.000794 0.001540 0.007720 0.000928 0Rh 6s 0.004006 -0.026279 0.001501 -0.002203 -0.013300 -0.001196 0Rh 7s -0.005324 0.055890 -0.007984 0.002682 0.084865 0.009238 0Rh 8s 0.015074 -0.005947 0.004075 -0.011471 -0.108613 -0.016048 0Rh 1pz 0.000923 -0.007992 -0.000006 -0.000058 0.000109 0.000802 0Rh 1px 0.000176 -0.001523 0.000003 -0.000055 -0.000167 0.000235 0Rh 1py 0.001133 -0.004397 -0.000030 0.000151 0.000807 -0.000069 0Rh 2pz -0.003964 0.034560 0.000029 0.000262 -0.000484 -0.003532 0Rh 2px -0.000763 0.006597 -0.000017 0.000247 0.000765 -0.001026 0Rh 2py -0.004837 0.019033 0.000135 -0.000683 -0.003547 0.000307 0Rh 3pz 0.014768 -0.133514 -0.000110 -0.001218 0.001987 0.013272 0Rh 3px 0.002957 -0.025664 0.000173 -0.001105 -0.003634 0.003626 0Rh 3py 0.017433 -0.073887 -0.000631 0.003147 0.013030 -0.001207 0Rh 4pz -0.023017 0.221162 0.000140 0.002486 -0.003035 -0.015173 0Rh 4px -0.004857 0.043109 -0.000723 0.002175 0.007538 -0.003049 0Rh 4py -0.026101 0.123271 0.001397 -0.006508 -0.013584 0.001610 0Rh 5pz 0.014377 -0.164688 0.000096 -0.002614 -0.000575 -0.025483 0Rh 5px 0.002941 -0.034462 0.002233 -0.002715 -0.006955 -0.012092 0Rh 5py 0.018329 -0.091989 -0.002533 0.008224 -0.029657 0.001425 0Rh 6pz 0.014579 -0.152131 -0.004315 -0.004531 0.047423 0.489681 0Rh 6px 0.013035 0.012571 -0.016903 0.014934 -0.039646 0.174552 0Rh 6py -0.061366 -0.158021 0.025065 -0.033576 0.470212 -0.042523 0Rh 1dz2 -0.010459 -0.002430 0.466721 -0.458945 0.047620 0.330717 0Rh 1dxz 0.000198 -0.000040 0.224117 -0.225517 -0.096216 -0.522976 0Rh 1dyz -0.026373 -0.006708 -0.239416 0.235863 0.187410 -0.134835 0Rh 1dx2y2 -0.004009 -0.001510 0.341372 -0.349101 0.179735 -0.204905 0Rh 1dxy -0.010782 -0.004421 0.028832 -0.017946 -0.602707 -0.001165 0Rh 2dz2 0.009188 0.004467 -0.966895 0.952768 -0.099211 -0.688976 0Rh 2dxz -0.000456 -0.000516 -0.464554 0.468416 0.200438 1.090172 0Rh 2dyz 0.022985 0.011428 0.496061 -0.489708 -0.390411 0.280993 0Rh 2dx2y2 0.003530 0.002178 -0.707155 0.724625 -0.374163 0.426835 0Rh 2dxy 0.009156 0.005484 -0.059802 0.037330 1.255612 0.002440 0Rh 3dz2 0.015674 -0.008690 0.881580 -0.874302 0.092003 0.639082 0Rh 3dxz 0.001325 0.002905 0.423986 -0.430191 -0.185668 -1.012280 0Rh 3dyz 0.040608 -0.019370 -0.452508 0.449556 0.361828 -0.260775 0Rh 3dx2y2 0.006005 -0.002249 0.644680 -0.664649 0.346242 -0.395844 0Rh 3dxy 0.017932 -0.001747 0.054625 -0.034404 -1.163740 -0.002245 0Rh 4dz2 -0.003792 0.046147 -0.481937 0.489728 -0.053581 -0.372728 0Rh 4dxz -0.007359 -0.010006 -0.232613 0.241387 0.107715 0.592295 0Rh 4dyz -0.014714 0.111192 0.247993 -0.252269 -0.210202 0.152277 0Rh 4dx2y2 -0.001734 0.016683 -0.352327 0.371152 -0.200506 0.230727 0Rh 4dxy -0.011445 0.029649 -0.029902 0.019651 0.676574 0.001146 0Rh 5dz2 -0.178896 -0.214232 0.220051 -0.245905 0.031426 0.228067 0Rh 5dxz 0.033853 0.027488 0.108753 -0.121337 -0.066843 -0.370178 0Rh 5dyz -0.429873 -0.540635 -0.116156 0.128630 0.125830 -0.099169 0Rh 5dx2y2 -0.066219 -0.090038 0.160906 -0.182015 0.124302 -0.142929 0Rh 5dxy -0.157941 -0.195125 0.012307 -0.010910 -0.413641 -0.001666 0Rh 1f0 0.000103 -0.003494 -0.001181 -0.002180 0.001854 -0.006259 0Rh 1f+1 -0.000634 -0.005629 0.001430 0.002196 -0.000782 -0.010289 0Rh 1f-1 0.002538 -0.024149 0.000820 0.001196 0.000547 0.001059 0Rh 1f+2 -0.000862 0.014353 0.000682 0.000774 0.003866 0.003619 0Rh 1f-2 -0.000213 -0.004406 -0.000634 -0.001694 -0.003700 0.003727 0Rh 1f+3 0.000224 -0.004809 -0.001345 -0.002524 0.004851 -0.002683 0Rh 1f-3 0.001144 -0.003763 -0.000450 -0.001013 -0.011290 -0.001318 1Rh 1s -0.000037 -0.000100 0.000015 0.000037 -0.000141 -0.000016 1Rh 2s 0.000234 0.000884 0.000019 0.000058 -0.000158 -0.000018 1Rh 3s -0.000091 -0.000094 0.000105 0.000268 -0.000986 -0.000115 1Rh 4s -0.001623 -0.005861 0.000095 0.000160 -0.001056 -0.000112 1Rh 5s 0.005010 0.018112 -0.000797 -0.001525 0.007670 0.000762 1Rh 6s -0.007194 -0.026916 0.001506 0.002173 -0.013272 -0.001008 1Rh 7s 0.017451 0.057019 -0.008106 -0.002607 0.085207 0.008341 1Rh 8s -0.016016 -0.009512 0.003841 0.011615 -0.108269 -0.009995 1Rh 1pz 0.002291 0.007955 0.000013 -0.000051 -0.000134 -0.000819 1Rh 1px 0.000284 0.001491 -0.000001 -0.000053 0.000159 -0.000235 1Rh 1py 0.003752 0.004532 0.000029 0.000152 -0.000814 0.000040 1Rh 2pz -0.009886 -0.034406 -0.000060 0.000234 0.000601 0.003610 1Rh 2px -0.001223 -0.006459 0.000007 0.000237 -0.000727 0.001025 1Rh 2py -0.016165 -0.019614 -0.000133 -0.000691 0.003577 -0.000173 1Rh 3pz 0.037745 0.132977 0.000245 -0.001101 -0.002533 -0.013645 1Rh 3px 0.004642 0.025179 -0.000128 -0.001063 0.003465 -0.003601 1Rh 3py 0.061217 0.076061 0.000615 0.003181 -0.013174 0.000574 1Rh 4pz -0.061327 -0.220391 -0.000392 0.002291 0.004182 0.015979 1Rh 4px -0.007559 -0.042432 0.000639 0.002101 -0.007207 0.002934 1Rh 4py -0.098756 -0.126682 -0.001357 -0.006563 0.013891 -0.000272 1Rh 5pz 0.042950 0.164079 0.000152 -0.002546 -0.000777 0.024530 1Rh 5px 0.005695 0.034111 -0.002142 -0.002661 0.006564 0.012304 1Rh 5py 0.072698 0.094215 0.002462 0.008225 0.029299 -0.002990 1Rh 6pz 0.054045 0.155351 0.003970 -0.003084 -0.045259 -0.489646 1Rh 6px 0.004855 -0.011542 0.016395 0.015019 0.041920 -0.174013 1Rh 6py -0.002013 0.159652 -0.024205 -0.032120 -0.470490 0.043126 1Rh 1dz2 0.011058 -0.002185 0.464815 0.459544 0.045203 0.329388 1Rh 1dxz -0.000539 -0.000026 0.223821 0.228360 -0.091708 -0.518750 1Rh 1dyz 0.027249 -0.006081 -0.238238 -0.236370 0.187091 -0.137295 1Rh 1dx2y2 0.004098 -0.001463 0.340174 0.350761 0.181698 -0.203595 1Rh 1dxy 0.010516 -0.004120 0.028998 0.019088 -0.600227 0.007522 1Rh 2dz2 -0.009785 0.004249 -0.962942 -0.954010 -0.094183 -0.686207 1Rh 2dxz 0.000627 -0.000519 -0.463937 -0.474317 0.191048 1.081358 1Rh 2dyz -0.024102 0.010877 0.493616 0.490758 -0.389746 0.286119 1Rh 2dx2y2 -0.003625 0.002116 -0.704668 -0.728067 -0.378244 0.424105 1Rh 2dxy -0.009269 0.005235 -0.060146 -0.039702 1.250443 -0.015661 1Rh 3dz2 -0.016221 -0.009044 0.877960 0.875429 0.087366 0.636520 1Rh 3dxz -0.000114 0.002825 0.423415 0.435600 -0.176984 -1.004095 1Rh 3dyz -0.040094 -0.020309 -0.450270 -0.450512 0.361207 -0.265520 1Rh 3dx2y2 -0.006044 -0.002206 0.642401 0.667792 0.350002 -0.393310 1Rh 3dxy -0.015682 -0.002295 0.054938 0.036582 -1.158946 0.014513 1Rh 4dz2 0.002940 0.046189 -0.479917 -0.490322 -0.050988 -0.371286 1Rh 4dxz 0.004417 -0.009684 -0.232280 -0.244407 0.102797 0.587584 1Rh 4dyz 0.008194 0.111446 0.246749 0.252786 -0.209835 0.154984 1Rh 4dx2y2 0.001329 0.016176 -0.351054 -0.372876 -0.202618 0.229256 1Rh 4dxy 0.004119 0.030206 -0.030072 -0.020877 0.673824 -0.008375 1Rh 5dz2 0.193028 -0.209961 0.218990 0.246068 0.030246 0.227325 1Rh 5dxz -0.030450 0.026003 0.108594 0.122939 -0.064677 -0.367970 1Rh 5dyz 0.470378 -0.530052 -0.115657 -0.128869 0.125530 -0.100543 1Rh 5dx2y2 0.070517 -0.086898 0.160279 0.182835 0.125387 -0.141914 1Rh 5dxy 0.178827 -0.191704 0.012337 0.011581 -0.412252 0.002900 1Rh 1f0 0.002951 0.003661 0.001186 -0.002193 -0.001826 0.006278 1Rh 1f+1 0.000851 0.005661 -0.001448 0.002153 0.000812 0.010314 1Rh 1f-1 0.009649 0.024430 -0.000819 0.001204 -0.000543 -0.001082 1Rh 1f+2 -0.002373 -0.014305 -0.000677 0.000797 -0.003899 -0.003688 1Rh 1f-2 0.004095 0.004610 0.000642 -0.001678 0.003658 -0.003729 1Rh 1f+3 -0.000866 0.004725 0.001353 -0.002524 -0.004859 0.002615 1Rh 1f-3 0.002969 0.003859 0.000458 -0.001032 0.011316 0.001355 2C 1s -0.000526 0.004436 -0.000594 -0.000013 0.000224 0.000092 2C 2s -0.000352 0.004724 0.000263 0.000005 -0.000133 -0.000071 2C 3s -0.034279 -0.002653 0.008825 0.000978 0.001815 0.004036 2C 4s 0.109437 -0.413468 -0.041413 -0.005166 -0.018749 -0.030920 2C 5s -0.115312 0.497883 0.076546 -0.013488 -0.055327 -0.101462 2C 1pz 0.013003 -0.027133 -0.002328 0.001413 0.000472 0.001351 2C 1px -0.051837 0.022275 -0.001884 -0.000107 -0.000718 -0.000913 2C 1py -0.011311 -0.009115 0.005059 -0.001764 0.001194 -0.000331 2C 2pz -0.138252 -0.153065 0.005873 -0.013805 -0.023104 -0.029886 2C 2px 0.385211 -0.269442 0.010877 0.001402 0.016945 0.020864 2C 2py 0.059209 -0.155770 -0.045183 0.016044 -0.019260 -0.002324 2C 3pz -0.025714 0.100449 0.009302 0.018313 -0.002260 -0.000422 2C 3px 0.025019 0.078157 0.001795 -0.012439 -0.030235 -0.046704 2C 3py -0.009526 0.057747 0.000274 -0.030729 0.006842 -0.029447 2C 1dz2 0.031412 -0.031781 -0.002611 0.000004 -0.002081 -0.001748 2C 1dxz -0.054597 0.024861 -0.001855 0.000786 0.000858 0.001543 2C 1dyz 0.006383 -0.021718 0.000785 0.000285 -0.000294 -0.000230 2C 1dx2y2 0.001614 0.011407 -0.001764 0.001284 0.001489 0.001816 2C 1dxy -0.040864 0.022823 0.000508 -0.001062 0.001145 0.001483 2C 2dz2 -0.091638 -0.020188 0.018446 0.001577 -0.005836 -0.003163 2C 2dxz 0.064309 -0.021781 0.005288 0.000250 -0.004145 -0.001488 2C 2dyz 0.042996 -0.114059 -0.018741 -0.001057 -0.004089 -0.001982 2C 2dx2y2 0.111398 -0.023006 0.017747 0.000476 0.002762 0.006312 2C 2dxy 0.080606 -0.037175 0.004919 -0.003255 0.001804 -0.002505 2C 1f0 0.033437 -0.041232 0.005266 0.000873 -0.001663 -0.000645 2C 1f+1 -0.016265 -0.026893 0.002285 -0.000938 0.001568 0.000971 2C 1f-1 0.004747 -0.015194 -0.001053 -0.000617 -0.001057 -0.001577 2C 1f+2 -0.025534 0.051825 0.004632 -0.000276 0.000223 0.000771 2C 1f-2 -0.020980 0.014737 -0.000261 0.000545 0.001273 0.002003 2C 1f+3 -0.018007 0.016310 0.000454 0.001181 -0.000019 0.001754 2C 1f-3 0.012928 -0.041603 -0.003188 0.000140 0.000140 -0.000193 3C 1s 0.000554 -0.004259 0.000830 0.000210 -0.000025 0.000303 3C 2s 0.000519 -0.004701 -0.000360 -0.000137 0.000016 -0.000163 3C 3s 0.017256 0.023244 -0.013856 0.003674 0.002520 -0.003228 3C 4s -0.058700 0.372676 0.067496 -0.026221 -0.019354 0.021100 3C 5s 0.108458 -0.399638 -0.123190 0.037509 0.018118 0.047276 3C 1pz -0.017498 0.011879 -0.005267 0.000768 0.000284 0.000470 3C 1px 0.052205 0.012656 -0.000984 0.001416 0.001584 -0.000317 3C 1py 0.008437 -0.020811 -0.002413 0.000873 0.000066 0.000576 3C 2pz 0.151437 0.109459 0.050594 -0.014925 -0.005361 -0.004914 3C 2px -0.382716 0.071035 0.015509 -0.017138 -0.035651 0.016792 3C 2py -0.100103 -0.257509 -0.004021 0.004286 0.010213 -0.008516 3C 3pz 0.023949 0.000347 -0.004193 0.015733 -0.002984 0.023355 3C 3px -0.013643 -0.064965 -0.000408 0.036516 0.055233 -0.013290 3C 3py -0.018950 0.098297 0.015952 0.011845 0.004718 -0.012227 3C 1dz2 -0.021222 -0.001538 -0.002040 -0.000469 0.000862 -0.000331 3C 1dxz 0.034883 0.014460 -0.001068 0.001148 0.000018 -0.000104 3C 1dyz 0.029080 -0.014296 0.000922 0.000301 0.000195 -0.000028 3C 1dx2y2 0.030856 -0.013515 -0.002755 0.000594 -0.001059 0.001450 3C 1dxy -0.053053 -0.014690 -0.001029 0.001226 0.003115 -0.002152 3C 2dz2 0.042738 0.005404 0.023349 0.001394 0.001039 -0.000825 3C 2dxz 0.048318 0.032639 0.013526 0.000077 0.002085 0.001624 3C 2dyz -0.016068 -0.098096 -0.019045 0.002850 0.005819 -0.002345 3C 2dx2y2 -0.111546 -0.068578 0.006195 0.006600 0.003063 0.000831 3C 2dxy 0.126793 -0.026091 -0.006835 0.000472 0.004632 -0.002249 3C 1f0 -0.005459 0.011964 0.000346 0.001197 0.000904 0.000602 3C 1f+1 -0.018502 0.025549 0.003405 -0.000663 -0.000641 0.000272 3C 1f-1 0.006429 -0.003613 -0.005911 -0.000855 -0.001147 0.000405 3C 1f+2 0.024934 -0.005528 -0.002325 0.000138 -0.002003 0.001265 3C 1f-2 -0.002213 -0.033100 -0.003520 0.001160 0.001942 -0.001438 3C 1f+3 0.029862 0.038569 0.000481 0.000479 -0.001229 0.001946 3C 1f-3 0.038362 -0.036563 0.002641 0.000676 -0.000883 0.001099 4C 1s 0.000512 0.022018 0.000044 0.000102 -0.000199 0.000589 4C 2s -0.000939 0.049022 0.000025 -0.000060 0.000169 -0.000235 4C 3s 0.065876 -0.195964 -0.003183 0.000182 -0.003628 0.007350 4C 4s -0.216139 -1.407273 0.019853 -0.004265 0.016237 -0.066191 4C 5s 0.026893 -0.563837 -0.041352 -0.015610 0.091308 -0.015885 4C 1pz -0.018364 -0.051141 0.002342 -0.000120 -0.000820 -0.001468 4C 1px 0.070173 -0.083745 0.000981 -0.000128 0.005399 0.006872 4C 1py 0.015726 -0.062757 -0.001331 0.000161 0.001289 0.001581 4C 2pz -0.029559 -0.541778 -0.026458 -0.002727 -0.011891 -0.029313 4C 2px 0.052411 -0.381008 -0.011463 0.003780 -0.009138 -0.017513 4C 2py -0.002734 -0.462300 0.002558 -0.002677 -0.009391 -0.023740 4C 3pz -0.086137 0.252680 -0.018789 -0.025439 -0.008188 -0.124328 4C 3px 0.032099 -0.094059 -0.016264 0.008379 0.056793 0.060466 4C 3py -0.042856 0.122591 0.042170 -0.004106 0.008228 -0.049190 4C 1dz2 -0.064157 0.134204 -0.007350 0.002101 0.001700 0.003390 4C 1dxz 0.115352 0.031015 -0.003406 -0.002579 -0.004813 -0.006165 4C 1dyz -0.001875 0.008509 0.005078 -0.002382 -0.001012 -0.000933 4C 1dx2y2 0.004818 -0.187873 -0.005978 -0.002412 0.000279 -0.001325 4C 1dxy 0.085690 -0.142955 -0.000464 0.004888 -0.004987 -0.004708 4C 2dz2 -0.267825 0.428469 0.038884 -0.010976 0.005133 -0.010785 4C 2dxz 0.592719 -0.064096 0.018783 0.016137 0.014632 0.048920 4C 2dyz -0.015747 0.206392 -0.015637 0.013391 0.002220 0.014895 4C 2dx2y2 -0.055031 -0.362730 0.020075 0.011750 -0.017733 -0.004133 4C 2dxy 0.382375 -0.326538 0.001929 -0.024807 0.043686 -0.005112 4C 1f0 -0.241448 0.133047 -0.005154 -0.004930 0.006711 -0.001815 4C 1f+1 0.246269 -0.170161 -0.007671 0.005585 -0.006340 0.004782 4C 1f-1 -0.053888 0.031371 -0.000949 0.003007 -0.005194 0.000959 4C 1f+2 0.164595 -0.076484 -0.000252 0.002320 -0.004944 -0.002717 4C 1f-2 0.280756 -0.176572 0.006233 -0.003664 0.003749 -0.002911 4C 1f+3 0.250549 -0.146158 -0.006289 -0.006643 0.003574 -0.009795 4C 1f-3 0.063236 -0.050391 0.009750 -0.002143 -0.000971 -0.002641 5C 1s -0.000527 -0.023251 -0.000062 0.000351 -0.000143 -0.000675 5C 2s -0.000029 -0.050475 -0.000035 -0.000158 0.000128 0.000298 5C 3s -0.027478 0.169908 0.006414 -0.006051 -0.004933 -0.010784 5C 4s 0.091938 1.563339 -0.035421 0.019618 0.025953 0.075971 5C 5s -0.015234 0.537300 0.055471 -0.013408 0.054867 0.067398 5C 1pz 0.023506 0.045255 0.001078 0.000223 0.002044 -0.001877 5C 1px -0.076240 0.028491 -0.000370 0.000310 -0.005882 0.005480 5C 1py -0.011230 -0.073549 0.003153 -0.000831 -0.001739 0.001100 5C 2pz 0.027851 0.385294 0.001343 -0.008395 -0.003876 0.017697 5C 2px -0.069656 0.246799 0.011136 -0.001184 -0.005944 0.005193 5C 2py -0.046119 -0.650739 -0.039520 0.014899 0.009482 -0.027062 5C 3pz 0.057955 -0.106025 -0.051070 0.007374 0.047874 0.030521 5C 3px -0.040305 -0.016685 -0.017699 -0.003817 -0.060580 0.092380 5C 3py -0.091172 0.135504 -0.008890 -0.028935 -0.062270 -0.074483 5C 1dz2 0.041496 -0.099304 -0.007693 0.002700 -0.001359 0.001218 5C 1dxz -0.063128 -0.123697 -0.003938 -0.005192 0.002231 -0.003903 5C 1dyz -0.053949 -0.041135 0.004890 0.001044 0.003918 -0.002458 5C 1dx2y2 -0.071225 0.183914 -0.005108 0.000425 0.004245 -0.002110 5C 1dxy 0.121020 0.075255 -0.000431 -0.003558 -0.005313 0.004071 5C 2dz2 0.179298 -0.132202 0.033472 -0.016616 -0.003698 -0.030176 5C 2dxz -0.337568 -0.317852 0.011125 0.030196 0.007577 0.024355 5C 2dyz -0.262334 0.075300 -0.011503 -0.009079 -0.027153 0.004425 5C 2dx2y2 -0.284540 0.442128 0.034808 -0.003987 -0.025777 0.031977 5C 2dxy 0.560164 0.291681 0.009534 0.013429 0.037936 0.004151 5C 1f0 0.123179 0.011993 -0.004872 -0.005516 -0.007240 -0.004692 5C 1f+1 -0.059764 0.012794 -0.010307 0.004507 0.007108 0.000968 5C 1f-1 -0.124487 -0.006391 0.000473 0.003226 0.001967 0.003624 5C 1f+2 -0.306148 -0.022421 0.005946 0.003140 0.005008 0.000465 5C 1f-2 0.110235 -0.010936 -0.000156 -0.002999 0.001067 -0.004239 5C 1f+3 -0.320612 -0.002854 0.002500 -0.007006 -0.002451 -0.011469 5C 1f-3 -0.285200 -0.044807 -0.009502 -0.000792 0.000144 -0.000698 6C 1s 0.002348 -0.023159 -0.000061 -0.000351 -0.000150 -0.000633 6C 2s 0.003901 -0.050344 -0.000035 0.000157 0.000131 0.000280 6C 3s 0.015144 0.171800 0.005980 0.005996 -0.004079 -0.011767 6C 4s -0.212040 1.549409 -0.033071 -0.019398 0.021658 0.079458 6C 5s -0.026882 0.538839 0.055120 0.013449 0.053976 0.065376 6C 1pz 0.029877 -0.044402 -0.001098 0.000210 -0.002026 0.001839 6C 1px -0.084270 -0.030540 0.000374 0.000335 0.005933 -0.005531 6C 1py -0.018134 0.072944 -0.003148 -0.000837 0.001719 -0.000989 6C 2pz 0.071728 -0.383840 -0.001094 -0.008210 0.004539 -0.017099 6C 2px -0.079171 -0.250225 -0.011633 -0.001970 0.003849 -0.002065 6C 2py -0.109405 0.648622 0.039387 0.014973 -0.009751 0.025394 6C 3pz 0.060057 0.110294 0.050397 0.007096 -0.045580 -0.032393 6C 3px -0.053755 0.015043 0.017408 -0.004126 0.060952 -0.091039 6C 3py -0.092039 -0.141880 0.009799 -0.028398 0.060080 0.077990 6C 1dz2 -0.039105 -0.099955 -0.007714 -0.002745 -0.001394 0.001183 6C 1dxz 0.079967 -0.121561 -0.003976 0.005199 0.002315 -0.004049 6C 1dyz 0.062689 -0.039695 0.004886 -0.001014 0.003957 -0.002340 6C 1dx2y2 0.064751 0.184943 -0.005081 -0.000404 0.004208 -0.002086 6C 1dxy -0.137102 0.071676 -0.000452 0.003532 -0.005426 0.004223 6C 2dz2 -0.185750 -0.135081 0.033195 0.016720 -0.003373 -0.030040 6C 2dxz 0.391275 -0.307546 0.011295 -0.030286 0.007974 0.024660 6C 2dyz 0.275556 0.081862 -0.011697 0.009052 -0.026346 0.002523 6C 2dx2y2 0.271570 0.446008 0.034996 0.004196 -0.025542 0.030711 6C 2dxy -0.625450 0.276495 0.009364 -0.013577 0.037604 0.003976 6C 1f0 0.133585 -0.008778 0.004868 -0.005540 0.007136 0.004713 6C 1f+1 -0.063835 -0.014289 0.010358 0.004597 -0.007114 -0.000938 6C 1f-1 -0.135648 0.003391 -0.000498 0.003232 -0.001995 -0.003597 6C 1f+2 -0.332265 0.014877 -0.005961 0.003148 -0.004940 -0.000496 6C 1f-2 0.118905 0.014019 0.000139 -0.003008 -0.000905 0.004007 6C 1f+3 -0.345020 -0.005404 -0.002403 -0.007021 0.002372 0.011580 6C 1f-3 -0.311122 0.037912 0.009439 -0.000774 0.000007 0.000646 7C 1s -0.002227 0.022026 0.000039 -0.000103 -0.000256 0.000498 7C 2s -0.002526 0.049117 0.000019 0.000062 0.000194 -0.000196 7C 3s -0.060350 -0.198617 -0.002863 -0.000148 -0.001806 0.009210 7C 4s 0.342413 -1.401460 0.018211 0.004066 0.008800 -0.072455 7C 5s 0.008179 -0.566649 -0.038154 0.015316 0.093476 -0.011270 7C 1pz -0.029095 0.050703 -0.002183 -0.000135 0.000975 0.001749 7C 1px 0.089836 0.085393 -0.000953 -0.000084 -0.005350 -0.006845 7C 1py 0.016540 0.063332 0.001423 0.000183 -0.001193 -0.001414 7C 2pz -0.103953 0.542493 0.023743 -0.002476 0.008884 0.023417 7C 2px 0.107238 0.380412 0.011173 0.003230 0.009734 0.017635 7C 2py -0.026796 0.464823 -0.004161 -0.002853 0.007928 0.020563 7C 3pz -0.101480 -0.253633 0.020174 -0.024903 0.014074 0.129029 7C 3px 0.058650 0.094359 0.015959 0.008420 -0.055456 -0.057768 7C 3py -0.041775 -0.123447 -0.041370 -0.003920 -0.004530 0.053705 7C 1dz2 0.071944 0.135717 -0.007410 -0.002129 0.001877 0.003626 7C 1dxz -0.148362 0.028128 -0.003466 0.002590 -0.004788 -0.006063 7C 1dyz 0.001792 0.008546 0.005017 0.002395 -0.000834 -0.000687 7C 1dx2y2 0.006751 -0.188081 -0.005933 0.002376 0.000123 -0.001434 7C 1dxy -0.097834 -0.145256 -0.000438 -0.004870 -0.005024 -0.004658 7C 2dz2 0.292253 0.434006 0.038407 0.010998 0.004027 -0.012893 7C 2dxz -0.711297 -0.079466 0.018200 -0.015927 0.013926 0.047114 7C 2dyz 0.001049 0.207155 -0.016159 -0.013486 -0.000082 0.011569 7C 2dx2y2 0.091178 -0.360935 0.020706 -0.011624 -0.017419 -0.002943 7C 2dxy -0.439252 -0.335950 0.001761 0.024901 0.042784 -0.006182 7C 1f0 -0.281581 -0.138979 0.005162 -0.004949 -0.006829 0.001672 7C 1f+1 0.284175 0.176317 0.007672 0.005645 0.006122 -0.004969 7C 1f-1 -0.064707 -0.032675 0.000835 0.003020 0.005025 -0.001212 7C 1f+2 0.192310 0.080359 0.000234 0.002369 0.005145 0.002891 7C 1f-2 0.327113 0.184174 -0.006240 -0.003661 -0.003773 0.002876 7C 1f+3 0.291367 0.153271 0.006264 -0.006584 -0.003583 0.009780 7C 1f-3 0.070495 0.052211 -0.009740 -0.002170 0.000722 0.002455 8C 1s -0.000288 -0.004254 0.000815 -0.000204 -0.000039 0.000330 8C 2s -0.000230 -0.004685 -0.000353 0.000134 0.000026 -0.000182 8C 3s -0.018953 0.021888 -0.013608 -0.003713 0.002327 -0.002650 8C 4s 0.027300 0.375874 0.066335 0.026404 -0.018100 0.017150 8C 5s -0.087916 -0.408608 -0.120306 -0.037175 0.015370 0.051532 8C 1pz -0.017924 -0.012192 0.005257 0.000827 -0.000271 -0.000462 8C 1px 0.056906 -0.011322 0.000978 0.001407 -0.001559 0.000318 8C 1py 0.007778 0.020875 0.002415 0.000893 -0.000067 -0.000508 8C 2pz 0.173870 -0.106779 -0.050337 -0.015486 0.004933 0.005914 8C 2px -0.402612 -0.081290 -0.015354 -0.017025 0.035257 -0.015755 8C 2py -0.132876 0.254987 0.003613 0.004185 -0.009467 0.006033 8C 3pz 0.024754 0.001595 0.003929 0.016335 0.002874 -0.024102 8C 3px -0.017218 0.066213 0.000191 0.036043 -0.054879 0.012606 8C 3py -0.013029 -0.099244 -0.015734 0.012169 -0.005542 0.012783 8C 1dz2 0.022744 -0.001041 -0.002030 0.000449 0.000845 -0.000388 8C 1dxz -0.038610 0.013593 -0.001084 -0.001153 0.000007 -0.000161 8C 1dyz -0.030268 -0.014981 0.000933 -0.000296 0.000196 0.000039 8C 1dx2y2 -0.032027 -0.014366 -0.002740 -0.000609 -0.001122 0.001489 8C 1dxy 0.058825 -0.013387 -0.001025 -0.001227 0.003088 -0.002071 8C 2dz2 -0.046197 0.004188 0.023375 -0.001323 0.001192 -0.000377 8C 2dxz -0.057301 0.030989 0.013388 -0.000069 0.002255 0.001644 8C 2dyz 0.024243 -0.097848 -0.018929 -0.002839 0.005493 -0.001528 8C 2dx2y2 0.125923 -0.066407 0.006372 -0.006628 0.002983 0.001395 8C 2dxy -0.130768 -0.028989 -0.006813 -0.000590 0.004436 -0.001871 8C 1f0 -0.005891 -0.011919 -0.000371 0.001204 -0.000870 -0.000661 8C 1f+1 -0.017933 -0.025871 -0.003395 -0.000670 0.000637 -0.000243 8C 1f-1 0.007138 0.003734 0.005913 -0.000842 0.001184 -0.000380 8C 1f+2 0.027053 0.006271 0.002302 0.000139 0.002042 -0.001347 8C 1f-2 -0.005258 0.032970 0.003492 0.001169 -0.001899 0.001355 8C 1f+3 0.035407 -0.037659 -0.000465 0.000487 0.001218 -0.001880 8C 1f-3 0.039722 0.037326 -0.002666 0.000679 0.000887 -0.001205 9C 1s 0.000330 0.004457 -0.000549 0.000008 0.000183 0.000042 9C 2s 0.000101 0.004731 0.000245 -0.000002 -0.000105 -0.000034 9C 3s 0.039227 -0.000890 0.007878 -0.000966 0.000930 0.002611 9C 4s -0.090079 -0.419638 -0.036680 0.005165 -0.012935 -0.021597 9C 5s 0.104732 0.500789 0.069455 0.013252 -0.063705 -0.111173 9C 1pz 0.013595 0.027353 0.002410 0.001422 -0.000403 -0.001260 9C 1px -0.059814 -0.023639 0.001886 -0.000023 0.000768 0.000932 9C 1py -0.013836 0.008723 -0.004994 -0.001801 -0.001183 0.000419 9C 2pz -0.180379 0.148758 -0.008069 -0.013954 0.019747 0.024686 9C 2px 0.433336 0.279232 -0.011287 0.000714 -0.018086 -0.021675 9C 2py 0.052690 0.160542 0.043726 0.016333 0.017387 -0.001225 9C 3pz -0.023508 -0.099588 -0.008692 0.018317 0.003710 0.002327 9C 3px 0.028736 -0.077714 -0.001632 -0.010841 0.031298 0.046338 9C 3py -0.008739 -0.059989 0.000374 -0.030857 -0.005606 0.030441 9C 1dz2 -0.035276 -0.032588 -0.002565 -0.000021 -0.002012 -0.001582 9C 1dxz 0.064480 0.026302 -0.001828 -0.000806 0.000875 0.001574 9C 1dyz -0.005952 -0.021933 0.000823 -0.000273 -0.000187 -0.000094 9C 1dx2y2 -0.003039 0.011370 -0.001813 -0.001294 0.001411 0.001727 9C 1dxy 0.047803 0.023902 0.000515 0.001049 0.001200 0.001553 9C 2dz2 0.108571 -0.018630 0.019145 -0.001452 -0.004926 -0.002052 9C 2dxz -0.066392 -0.021847 0.005545 -0.000303 -0.004093 -0.001064 9C 2dyz -0.039757 -0.114949 -0.017947 0.000938 -0.002961 -0.000016 9C 2dx2y2 -0.130392 -0.025723 0.017331 -0.000607 0.002490 0.005810 9C 2dxy -0.094886 -0.040804 0.005072 0.003261 0.002221 -0.001958 9C 1f0 0.038354 0.041926 -0.005330 0.000869 0.001611 0.000580 9C 1f+1 -0.022096 0.026785 -0.002340 -0.000949 -0.001670 -0.001118 9C 1f-1 0.004888 0.015540 0.000842 -0.000613 0.000884 0.001303 9C 1f+2 -0.027804 -0.052594 -0.004513 -0.000286 -0.000093 -0.000573 9C 1f-2 -0.026870 -0.015408 0.000180 0.000531 -0.001337 -0.002121 9C 1f+3 -0.022477 -0.017398 -0.000487 0.001181 0.000017 -0.001765 9C 1f-3 0.012550 0.041895 0.003162 0.000165 -0.000181 0.000095 10H 1s -0.057104 0.053538 0.001060 0.000015 -0.000082 -0.000623 10H 2s -0.189755 0.117780 -0.005332 -0.002392 -0.014161 -0.013847 10H 3s 0.020840 -0.076807 -0.010383 0.014246 0.028184 0.034055 10H 1pz -0.059186 0.030136 -0.000674 -0.000076 -0.002541 -0.002883 10H 1px 0.044878 -0.046942 0.000214 0.000845 0.002986 0.002686 10H 1py -0.028930 0.011837 -0.001247 0.000053 -0.001389 -0.000820 11H 1s 0.017022 -0.020442 0.001710 0.000003 0.000723 -0.000110 11H 2s 0.021994 -0.038445 0.006603 -0.011377 0.008632 0.001195 11H 3s 0.013334 0.006825 -0.020726 0.025335 -0.007924 0.006804 11H 1pz 0.005421 0.001138 0.005223 -0.001519 0.002022 0.000423 11H 1px 0.008107 -0.014383 0.002097 -0.001860 0.001196 0.000693 11H 1py 0.005699 0.009246 0.001545 0.001403 -0.000732 0.000591 12H 1s 0.030846 -0.017982 0.001280 -0.000050 -0.000487 0.001073 12H 2s 0.058991 -0.031269 -0.011591 0.015564 -0.002099 0.013988 12H 3s 0.007192 -0.021714 -0.007883 -0.038191 0.016875 -0.020382 12H 1pz 0.009142 0.000340 -0.003206 -0.001449 0.001326 -0.000130 12H 1px 0.015977 -0.011046 -0.000797 0.001780 -0.000172 0.002283 12H 1py 0.020129 -0.004153 -0.004153 0.003425 -0.000150 0.003553 13H 1s 0.056996 -0.014129 -0.001672 0.000297 0.001137 -0.000130 13H 2s 0.181279 -0.003836 0.008757 0.003521 0.010102 -0.007382 13H 3s -0.021110 0.062220 0.014272 -0.022886 -0.024343 0.011501 13H 1pz 0.053612 -0.004097 0.001795 0.000947 0.002200 -0.002025 13H 1px -0.030173 0.016537 0.000326 -0.001309 -0.001837 0.001078 13H 1py -0.046807 -0.007825 -0.001201 -0.000054 -0.002190 0.001533 14H 1s -0.036233 -0.004950 -0.002083 0.000059 -0.000633 -0.000793 14H 2s -0.076603 -0.010513 0.011759 -0.012000 -0.016308 0.002508 14H 3s -0.003213 0.028773 0.016042 0.036187 0.035736 0.004464 14H 1pz -0.015062 -0.009209 0.003205 -0.000803 -0.001848 0.000906 14H 1px -0.029029 -0.006348 0.001870 -0.002720 -0.004296 0.000283 14H 1py 0.013035 0.000763 -0.002869 -0.001776 -0.000325 -0.001069 15H 1s -0.012826 0.012368 -0.002442 -0.000154 0.000265 0.000071 15H 2s -0.015971 0.031298 -0.003891 0.009156 -0.003841 0.007079 15H 3s -0.011797 -0.019328 0.026722 -0.021574 0.005093 -0.012478 15H 1pz -0.001529 -0.019299 -0.001147 -0.001399 0.000768 -0.000937 15H 1px -0.007130 0.001764 -0.001862 0.000416 -0.000643 -0.000354 15H 1py 0.005082 -0.000215 0.005320 -0.001913 0.000360 -0.001680 16H 1s -0.077685 -0.102603 0.001193 -0.001537 -0.000401 0.002513 16H 2s -0.170775 -0.014308 -0.013059 0.017398 0.034922 0.015452 16H 3s 0.002287 0.030681 0.000267 0.000742 0.031944 0.062527 16H 1pz -0.091031 -0.045964 -0.004894 0.006371 0.009964 0.004028 16H 1px 0.015870 -0.011861 -0.000680 0.000907 -0.007676 -0.015838 16H 1py -0.036876 -0.020898 0.002038 -0.002345 -0.003963 -0.000706 17H 1s 0.079445 0.112505 0.002923 -0.003483 -0.000939 -0.002258 17H 2s 0.157455 0.106597 -0.017089 0.022234 0.036586 -0.008164 17H 3s -0.007754 -0.037478 0.001249 0.000833 0.032363 -0.056268 17H 1pz -0.052089 -0.060873 0.004684 -0.006023 -0.002865 -0.007517 17H 1px -0.064781 -0.046965 0.003234 -0.004312 -0.013411 0.013478 17H 1py 0.049666 0.042637 0.000479 -0.000282 -0.002473 0.001061 18H 1s -0.081239 0.109143 0.003116 0.003735 -0.000959 -0.002274 18H 2s -0.145576 0.106161 -0.017572 -0.023047 0.036191 -0.008980 18H 3s 0.008685 -0.036661 0.001471 -0.000685 0.031180 -0.057343 18H 1pz -0.052737 0.061419 -0.004695 -0.006112 0.002965 0.007400 18H 1px -0.061141 0.045936 -0.003352 -0.004500 0.013040 -0.013812 18H 1py 0.045173 -0.039061 -0.000446 -0.000244 0.002637 -0.001130 19H 1s 0.089626 -0.101470 0.000945 0.001256 -0.000350 0.002509 19H 2s 0.190102 -0.007804 -0.012081 -0.016297 0.035095 0.014221 19H 3s -0.006032 0.031093 0.000045 -0.001017 0.033129 0.060932 19H 1pz -0.102037 0.042658 0.004646 0.006097 -0.010105 -0.003620 19H 1px 0.017933 0.011690 0.000766 0.000985 0.007971 0.015526 19H 1py -0.044555 0.021762 -0.002040 -0.002377 0.003798 0.000629 20H 1s 0.013050 0.012403 -0.002395 0.000138 0.000286 0.000047 20H 2s 0.015328 0.031278 -0.003999 -0.009409 -0.003841 0.006791 20H 3s 0.014068 -0.017817 0.026169 0.022161 0.005260 -0.012872 20H 1pz -0.003082 0.019002 0.001149 -0.001445 -0.000732 0.000904 20H 1px -0.008028 -0.002085 0.001873 0.000451 0.000661 0.000344 20H 1py 0.005711 0.000086 -0.005325 -0.001957 -0.000396 0.001656 21H 1s 0.039516 -0.003825 -0.002045 -0.000060 -0.000638 -0.000797 21H 2s 0.082783 -0.007832 0.011673 0.012170 -0.016217 0.002300 21H 3s 0.001230 0.028444 0.015736 -0.036246 0.035834 0.004456 21H 1pz -0.016771 0.008825 -0.003220 -0.000851 0.001870 -0.000947 21H 1px -0.031336 0.005292 -0.001876 -0.002740 0.004266 -0.000247 21H 1py 0.013847 -0.000733 0.002898 -0.001773 0.000348 0.001121 22H 1s -0.060935 -0.015683 -0.001637 -0.000308 0.001110 -0.000086 22H 2s -0.196695 -0.008294 0.008608 -0.003284 0.010177 -0.007053 22H 3s 0.018835 0.063342 0.013861 0.022379 -0.024179 0.011151 22H 1pz 0.057274 0.005298 -0.001761 0.000898 -0.002190 0.001926 22H 1px -0.032067 -0.017393 -0.000309 -0.001274 0.001849 -0.001074 22H 1py -0.051401 0.006596 0.001165 -0.000048 0.002193 -0.001472 23H 1s -0.034750 -0.018894 0.001163 0.000069 -0.000490 0.001067 23H 2s -0.064886 -0.032519 -0.011299 -0.015763 -0.002280 0.013902 23H 3s -0.007018 -0.020732 -0.006924 0.037944 0.017371 -0.019129 23H 1pz 0.010518 -0.000692 0.003237 -0.001427 -0.001225 0.000238 23H 1px 0.017567 0.011447 0.000802 0.001742 0.000148 -0.002220 23H 1py 0.022850 0.004642 0.004186 0.003486 0.000282 -0.003473 24H 1s -0.019711 -0.020862 0.001577 -0.000000 0.000779 -0.000075 24H 2s -0.025722 -0.038449 0.006862 0.011629 0.009113 0.001258 24H 3s -0.014317 0.005559 -0.019427 -0.026111 -0.007926 0.007390 24H 1pz 0.007159 -0.001187 -0.005205 -0.001545 -0.001995 -0.000291 24H 1px 0.009081 0.014597 -0.002096 -0.001945 -0.001327 -0.000702 24H 1py 0.007345 -0.008504 -0.001565 0.001412 0.000785 -0.000502 25H 1s 0.065617 0.055369 0.000967 -0.000017 -0.000153 -0.000700 25H 2s 0.218022 0.123495 -0.004922 0.002260 -0.014391 -0.013654 25H 3s -0.019219 -0.077906 -0.009430 -0.013268 0.029361 0.034494 25H 1pz -0.068461 -0.032125 0.000611 -0.000077 0.002623 0.002936 25H 1px 0.050835 0.048365 -0.000220 0.000781 -0.003062 -0.002683 25H 1py -0.033214 -0.012002 0.001192 0.000049 0.001411 0.000838 26O 1s -0.002436 0.007412 -0.000014 0.000017 -0.000018 -0.000253 26O 2s -0.008837 0.025033 -0.000008 0.000014 -0.000021 -0.000216 26O 3s 0.115177 -0.321693 0.000088 -0.000207 0.002463 0.005723 26O 4s -0.428848 0.678180 -0.000037 0.000705 -0.031065 -0.053206 26O 5s 0.269475 1.175862 0.015905 -0.002869 0.087089 0.243001 26O 1pz 0.055160 0.002293 0.000824 0.003716 -0.005513 -0.004493 26O 1px -0.065122 0.139049 0.000991 0.002061 0.004896 0.007588 26O 1py 0.009788 0.052335 -0.001235 -0.005904 0.000202 -0.001212 26O 2pz -0.331663 0.051496 -0.007357 -0.011774 0.017411 0.014379 26O 2px 0.274884 -0.617040 -0.007376 -0.005921 -0.008484 -0.022194 26O 2py -0.101100 -0.195434 0.009117 0.018959 0.002817 0.003638 26O 3pz 0.150803 -0.039437 0.039775 -0.032879 0.048357 0.022379 26O 3px 0.052386 -0.484715 0.024190 -0.025065 0.017313 -0.062153 26O 3py 0.118355 -0.200024 -0.056730 0.045088 -0.040204 0.059046 26O 1dz2 -0.146436 0.156993 -0.007508 0.009703 -0.008784 0.001940 26O 1dxz -0.116258 -0.152205 -0.003686 0.003122 0.004443 0.003310 26O 1dyz -0.226778 -0.068523 0.003874 -0.005602 0.004949 -0.003872 26O 1dx2y2 0.118433 -0.156708 -0.005258 0.005062 0.002981 0.000044 26O 1dxy -0.046514 -0.256638 -0.000773 0.002586 -0.002240 0.009279 26O 2dz2 0.218767 -0.267595 0.021482 -0.026144 0.022854 0.001280 26O 2dxz 0.342927 0.101106 0.013729 -0.006620 -0.016837 -0.009928 26O 2dyz 0.365846 0.046469 -0.010221 0.015782 -0.007955 0.013683 26O 2dx2y2 -0.266325 0.318594 0.019385 -0.011675 -0.011437 0.003512 26O 2dxy 0.114300 0.355326 -0.001739 -0.009595 0.004514 -0.024498 26O 1f0 0.151132 -0.018992 0.004173 -0.002947 0.004829 0.001884 26O 1f+1 -0.134640 0.144728 0.001967 -0.002775 -0.001989 0.000044 26O 1f-1 0.010319 0.050148 0.000261 -0.001913 0.000981 0.000710 26O 1f+2 -0.093257 -0.009028 0.002152 -0.005091 -0.000246 -0.003077 26O 1f-2 -0.190308 0.046954 0.000334 -0.001400 -0.001567 -0.006608 26O 1f+3 -0.149924 0.091628 0.001277 0.003826 -0.002999 -0.001141 26O 1f-3 -0.006360 0.130602 -0.002168 0.000773 0.003368 0.001710 27O 1s 0.002586 -0.005376 -0.000011 -0.000121 0.000049 -0.000024 27O 2s 0.009514 -0.017547 -0.000020 -0.000132 0.000060 -0.000073 27O 3s -0.128449 0.219507 0.000421 0.002736 -0.004235 0.004887 27O 4s 0.481190 -0.352468 -0.001675 -0.008022 0.053048 -0.041164 27O 5s -0.200557 -1.163657 -0.016710 0.014459 -0.153915 0.019989 27O 1pz -0.044412 -0.015190 0.001622 0.006299 0.005381 -0.002554 27O 1px 0.060796 -0.100773 -0.000421 0.001255 -0.004784 0.004226 27O 1py 0.044029 0.051395 0.000917 0.004050 -0.004472 0.005679 27O 2pz 0.254718 0.060783 -0.011219 -0.021049 -0.017098 0.008499 27O 2px -0.263579 0.444317 0.002164 -0.003238 0.002806 0.004150 27O 2py -0.279232 -0.227236 -0.008695 -0.012503 0.019331 -0.022345 27O 3pz -0.084863 -0.054631 0.053499 -0.041756 -0.070315 -0.042320 27O 3px -0.097858 0.361205 0.008793 -0.004540 0.000242 0.027001 27O 3py 0.163209 0.003197 0.042408 -0.033234 0.007538 -0.061731 27O 1dz2 -0.021131 -0.186467 -0.007366 0.009785 0.008625 0.004329 27O 1dxz 0.118351 0.110838 -0.003320 0.001832 -0.005406 -0.003184 27O 1dyz -0.184570 -0.086469 0.003901 -0.004519 -0.003196 -0.000375 27O 1dx2y2 -0.155378 0.101771 -0.005370 0.006148 -0.002158 0.007653 27O 1dxy -0.146456 -0.316852 -0.000586 -0.000660 0.001050 -0.008763 27O 2dz2 0.021564 0.272891 0.020491 -0.026693 -0.020275 -0.005559 27O 2dxz -0.307707 -0.149193 0.014933 -0.001372 0.017773 0.009377 27O 2dyz 0.235715 0.104874 -0.012297 0.011373 0.013309 -0.005670 27O 2dx2y2 0.294091 -0.192252 0.016800 -0.016573 0.012580 -0.022718 27O 2dxy 0.372948 0.450040 0.005596 0.003967 -0.005112 0.027816 27O 1f0 -0.098141 -0.017712 0.001735 0.001680 -0.002018 0.001406 27O 1f+1 0.014591 -0.090576 0.002174 -0.002131 -0.000640 0.002905 27O 1f-1 0.077414 0.043095 -0.003964 0.005254 0.004340 0.001561 27O 1f+2 0.154237 0.047520 -0.000842 -0.003028 0.000430 -0.003576 27O 1f-2 -0.092723 -0.002958 -0.000869 0.003278 -0.001932 0.002364 27O 1f+3 0.185412 -0.045582 -0.000422 0.003067 0.001217 -0.002085 27O 1f-3 0.183616 0.156537 0.003188 -0.000840 0.005008 -0.003401 28O 1s 0.002831 0.003015 0.000054 -0.000003 -0.000030 0.000047 28O 2s 0.010428 0.009102 0.000055 0.000001 -0.000039 0.000073 28O 3s -0.151740 -0.100397 -0.001000 -0.000287 -0.001476 -0.005049 28O 4s 0.606090 -0.008369 0.003406 0.001708 0.036500 0.048369 28O 5s -0.135904 0.936598 0.001589 0.016730 -0.121378 -0.049328 28O 1pz 0.000194 0.077617 0.000818 -0.003745 0.002580 0.001672 28O 1px -0.071375 -0.014809 0.000366 -0.002333 0.006472 0.007493 28O 1py -0.028275 0.042665 -0.001350 0.006044 0.002094 0.005243 28O 2pz 0.025281 -0.355190 -0.007612 0.010945 -0.015588 -0.019285 28O 2px 0.404977 0.018245 -0.003080 0.009054 -0.014435 -0.010824 28O 2py 0.174833 -0.213697 0.010367 -0.019899 -0.010170 -0.018873 28O 3pz -0.186200 -0.012242 0.033935 0.021255 -0.047041 -0.006593 28O 3px 0.013367 0.211282 0.021759 0.023219 -0.040361 0.033878 28O 3py -0.105381 0.065004 -0.050278 -0.045472 0.036066 -0.062857 28O 1dz2 0.131516 -0.251366 -0.007249 -0.007919 -0.000228 -0.004075 28O 1dxz 0.050520 0.160581 -0.003333 -0.004976 0.009535 0.003041 28O 1dyz 0.206485 -0.278009 0.003915 0.003766 0.000034 -0.001118 28O 1dx2y2 -0.071500 0.031151 -0.005182 -0.007384 0.005886 -0.007689 28O 1dxy 0.024425 0.072718 -0.000712 0.001233 -0.003205 0.007918 28O 2dz2 -0.321607 0.419477 0.024339 0.019424 0.005173 0.008957 28O 2dxz -0.076342 -0.261162 0.007845 0.013975 -0.027584 -0.016490 28O 2dyz -0.344378 0.404893 -0.014611 -0.008105 -0.006285 0.001746 28O 2dx2y2 0.239590 -0.094112 0.013490 0.021242 -0.013217 0.018792 28O 2dxy 0.070591 -0.167782 0.006975 -0.006373 0.004837 -0.026741 28O 1f0 0.136440 -0.073246 0.003428 0.006280 0.000581 0.002667 28O 1f+1 -0.140621 0.200927 0.003080 -0.000375 -0.003740 -0.004114 28O 1f-1 0.090690 -0.068549 0.001050 -0.000093 0.001887 0.003461 28O 1f+2 -0.094793 -0.019038 0.002495 0.003372 -0.001903 0.001794 28O 1f-2 -0.156230 0.161516 -0.000788 0.003675 -0.004280 -0.002598 28O 1f+3 -0.121750 0.069529 0.000163 0.000176 0.001837 -0.003461 28O 1f-3 -0.026224 0.060564 -0.002941 0.000327 -0.001406 -0.000107 29O 1s -0.000082 0.000050 -0.000119 0.000169 0.000894 0.000022 29O 2s -0.000209 -0.000143 -0.000085 0.000119 0.000753 0.000017 29O 3s 0.002060 0.008682 0.000225 -0.000357 -0.011297 -0.000356 29O 4s -0.006272 -0.019997 -0.000203 -0.000080 0.034569 0.003423 29O 5s 0.017712 -0.072574 0.023763 -0.029999 -0.112058 -0.013504 29O 1pz 0.032283 0.037338 0.000365 -0.000510 -0.000308 -0.004239 29O 1px 0.012364 0.016935 -0.000312 0.000357 -0.001307 -0.001903 29O 1py -0.002900 -0.006559 0.000511 -0.000361 -0.008629 0.000158 29O 2pz -0.196578 -0.167774 -0.001755 0.002343 0.001990 0.009676 29O 2px -0.072525 -0.083728 0.003738 -0.004766 0.000142 0.004138 29O 2py 0.017526 0.038900 -0.004503 0.005110 0.025905 -0.000076 29O 3pz -0.077154 0.019469 0.001014 -0.000067 0.005455 0.036428 29O 3px -0.029293 0.013383 0.000236 -0.002563 -0.011765 0.014236 29O 3py 0.002810 0.025759 -0.011634 0.015927 0.018262 0.001021 29O 1dz2 -0.030995 -0.048440 0.003399 -0.004056 0.000862 -0.007807 29O 1dxz 0.023674 0.038729 0.001533 -0.001696 0.004174 0.013025 29O 1dyz -0.069115 -0.096002 -0.001599 0.001953 -0.004431 0.007599 29O 1dx2y2 0.005066 0.002755 0.002748 -0.003277 -0.005653 0.006032 29O 1dxy -0.033006 -0.045712 0.000063 -0.000283 0.012927 0.001661 29O 2dz2 0.078769 0.079946 -0.005631 0.006479 -0.004492 0.015103 29O 2dxz -0.066153 -0.082694 -0.002088 0.001946 -0.011206 -0.026664 29O 2dyz 0.149521 0.153451 0.003287 -0.004017 0.008246 -0.019549 29O 2dx2y2 -0.017054 -0.012356 -0.005759 0.006962 0.013860 -0.012827 29O 2dxy 0.067592 0.079024 -0.001804 0.002874 -0.022865 -0.004749 29O 1f0 -0.004809 0.007816 -0.001012 0.001227 -0.000486 -0.002098 29O 1f+1 -0.012020 -0.003825 0.000994 -0.001216 0.000131 -0.003743 29O 1f-1 -0.034075 -0.029838 0.000504 -0.000472 0.002295 -0.001922 29O 1f+2 0.019649 0.016418 0.000687 -0.000838 0.002923 0.002402 29O 1f-2 0.045959 0.052470 -0.000633 0.000829 -0.002734 0.003965 29O 1f+3 -0.017053 -0.018381 -0.000967 0.000973 0.002453 -0.001909 29O 1f-3 -0.020256 -0.022380 -0.000325 0.000424 -0.008746 -0.001815 30O 1s -0.003039 -0.005534 -0.000083 -0.000083 -0.000099 0.000243 30O 2s -0.011005 -0.018382 -0.000091 -0.000073 -0.000105 0.000193 30O 3s 0.155093 0.233956 0.001771 0.001400 0.004823 -0.004450 30O 4s -0.598901 -0.426030 -0.008098 -0.003558 -0.044245 0.042253 30O 5s 0.163556 -1.155625 0.009333 0.009977 0.090666 -0.219372 30O 1pz -0.007646 -0.062770 0.001373 -0.005645 -0.000532 -0.002331 30O 1px 0.083551 0.062660 0.000186 -0.001088 -0.008842 0.007267 30O 1py -0.010712 0.076080 0.001004 -0.004438 0.002319 -0.001867 30O 2pz 0.018767 0.280781 -0.009991 0.018048 0.007888 0.007019 30O 2px -0.453377 -0.294032 -0.002171 0.003326 0.018750 -0.024446 30O 2py 0.100658 -0.325120 -0.008740 0.014034 -0.014937 0.004678 30O 3pz 0.127152 0.126106 0.059482 0.048506 0.055505 0.049783 30O 3px 0.012272 -0.322193 0.009075 0.011106 0.010369 -0.040588 30O 3py -0.196176 -0.111073 0.037198 0.036129 0.016226 0.056251 30O 1dz2 0.024357 0.014985 -0.007393 -0.007948 0.000470 -0.001666 30O 1dxz -0.079141 -0.121074 -0.003512 -0.005710 -0.010360 -0.005794 30O 1dyz 0.189665 -0.290613 0.003952 0.004821 -0.001589 0.004624 30O 1dx2y2 0.171974 -0.128949 -0.005077 -0.006460 -0.003178 -0.001521 30O 1dxy 0.115627 0.153386 -0.000476 -0.002757 0.001101 -0.008694 30O 2dz2 0.053437 -0.002864 0.025764 0.018959 -0.007099 0.003084 30O 2dxz 0.158040 0.211881 0.006389 0.018128 0.029786 0.013368 30O 2dyz -0.332439 0.397644 -0.012260 -0.012624 0.004479 -0.006247 30O 2dx2y2 -0.439807 0.140931 0.015722 0.016583 0.007012 -0.000147 30O 2dxy -0.134907 -0.252847 -0.002334 0.008866 -0.009577 0.025921 30O 1f0 -0.023975 -0.053064 0.000946 0.001933 0.000088 -0.002625 30O 1f+1 0.033092 -0.039694 0.003372 -0.000950 0.000638 -0.001060 30O 1f-1 0.082657 -0.019657 -0.003051 -0.007203 0.000326 -0.004101 30O 1f+2 0.201948 -0.000947 -0.000303 0.001354 0.005511 -0.000711 30O 1f-2 -0.064742 0.132034 -0.001621 -0.000958 -0.004620 0.001862 30O 1f+3 0.166386 -0.079335 -0.001634 0.000810 0.002977 -0.003868 30O 1f-3 0.166556 0.050622 0.002901 0.001773 0.001297 -0.002058 31O 1s 0.003784 -0.005440 -0.000087 0.000086 -0.000089 0.000242 31O 2s 0.013565 -0.018043 -0.000094 0.000077 -0.000091 0.000188 31O 3s -0.189224 0.229081 0.001848 -0.001471 0.004469 -0.004265 31O 4s 0.684567 -0.408794 -0.008286 0.003757 -0.043177 0.041815 31O 5s -0.062374 -1.151060 0.009284 -0.010037 0.094097 -0.222895 31O 1pz -0.013852 0.062274 -0.001358 -0.005639 0.000506 0.002300 31O 1px 0.096099 -0.060510 -0.000179 -0.001084 0.008878 -0.007341 31O 1py -0.005297 -0.075923 -0.000973 -0.004441 -0.002306 0.001798 31O 2pz 0.043259 -0.278437 0.009914 0.018065 -0.007410 -0.007141 31O 2px -0.517171 0.281628 0.002179 0.003286 -0.019370 0.025165 31O 2py 0.080778 0.325240 0.008657 0.014041 0.014500 -0.004281 31O 3pz 0.158152 -0.121778 -0.059976 0.049014 -0.054401 -0.050156 31O 3px -0.023415 0.320342 -0.008935 0.010960 -0.012136 0.041631 31O 3py -0.222721 0.104299 -0.036832 0.035767 -0.017515 -0.056417 31O 1dz2 -0.017778 0.013934 -0.007420 0.007918 0.000528 -0.001598 31O 1dxz 0.099650 -0.118882 -0.003535 0.005742 -0.010328 -0.005852 31O 1dyz -0.180337 -0.293776 0.003967 -0.004817 -0.001548 0.004599 31O 1dx2y2 -0.171534 -0.131643 -0.005107 0.006458 -0.003206 -0.001425 31O 1dxy -0.140395 0.149918 -0.000491 0.002773 0.001054 -0.008700 31O 2dz2 -0.068098 -0.003735 0.025834 -0.018841 -0.007275 0.003001 31O 2dxz -0.192391 0.207143 0.006485 -0.018230 0.029475 0.013658 31O 2dyz 0.323955 0.403628 -0.012295 0.012587 0.004247 -0.006065 31O 2dx2y2 0.459274 0.150096 0.015774 -0.016552 0.007153 -0.000493 31O 2dxy 0.170718 -0.248181 -0.002318 -0.008903 -0.009255 0.025755 31O 1f0 -0.031052 0.052282 -0.000949 0.001919 -0.000092 0.002703 31O 1f+1 0.035007 0.040220 -0.003369 -0.000974 -0.000654 0.001025 31O 1f-1 0.086882 0.021570 0.003077 -0.007207 -0.000347 0.004063 31O 1f+2 0.218518 0.005770 0.000296 0.001355 -0.005499 0.000663 31O 1f-2 -0.059199 -0.132985 0.001612 -0.000943 0.004686 -0.001835 31O 1f+3 0.172132 0.082793 0.001634 0.000801 -0.002975 0.003830 31O 1f-3 0.185684 -0.046355 -0.002915 0.001760 -0.001266 0.002024 32O 1s -0.000042 0.000092 -0.000118 -0.000169 0.000889 -0.000005 32O 2s -0.000269 -0.000033 -0.000084 -0.000119 0.000748 -0.000006 32O 3s 0.006657 0.007610 0.000230 0.000377 -0.011218 -0.000021 32O 4s -0.013998 -0.017782 -0.000230 0.000018 0.034318 0.002542 32O 5s -0.035216 -0.077993 0.023411 0.029842 -0.111419 -0.010721 32O 1pz 0.035611 -0.036665 -0.000350 -0.000521 0.000194 0.004218 32O 1px 0.011956 -0.016369 0.000307 0.000343 0.001263 0.001875 32O 1py -0.000407 0.005458 -0.000505 -0.000367 0.008612 -0.000322 32O 2pz -0.212776 0.163887 0.001262 0.001795 -0.001618 -0.009549 32O 2px -0.068191 0.081460 -0.003830 -0.004895 -0.000034 -0.004122 32O 2py 0.002000 -0.034289 0.004453 0.005113 -0.025863 0.000572 32O 3pz -0.077215 -0.021003 -0.001376 -0.000745 -0.005796 -0.035667 32O 3px -0.029366 -0.013236 -0.000344 -0.002822 0.011786 -0.014748 32O 3py -0.006351 -0.028875 0.011419 0.015774 -0.018063 -0.001103 32O 1dz2 0.034412 -0.046157 0.003403 0.004106 0.000913 -0.008034 32O 1dxz -0.024194 0.039179 0.001508 0.001649 0.004120 0.012761 32O 1dyz 0.076279 -0.095046 -0.001558 -0.001916 -0.004282 0.007676 32O 1dx2y2 -0.007654 0.003515 0.002721 0.003264 -0.005665 0.005970 32O 1dxy 0.034067 -0.043491 0.000087 0.000301 0.012909 0.001527 32O 2dz2 -0.085082 0.073949 -0.005733 -0.006690 -0.004602 0.015829 32O 2dxz 0.068013 -0.083494 -0.001960 -0.001730 -0.011114 -0.025981 32O 2dyz -0.162561 0.151229 0.003066 0.003767 0.007776 -0.019664 32O 2dx2y2 0.023267 -0.014339 -0.005660 -0.006881 0.013858 -0.012704 32O 2dxy -0.065696 0.074744 -0.001874 -0.002958 -0.022904 -0.004549 32O 1f0 -0.006100 -0.009286 0.000972 0.001172 0.000648 0.001983 32O 1f+1 -0.011963 0.005224 -0.001033 -0.001288 -0.000172 0.003832 32O 1f-1 -0.040394 0.028191 -0.000510 -0.000487 -0.002309 0.002017 32O 1f+2 0.022740 -0.015652 -0.000685 -0.000834 -0.002665 -0.002269 32O 1f-2 0.046555 -0.052014 0.000629 0.000841 0.002648 -0.004045 32O 1f+3 -0.014874 0.015706 0.000961 0.000974 -0.002570 0.001841 32O 1f-3 -0.021392 0.022097 0.000333 0.000420 0.008768 0.001595 33O 1s -0.003869 0.002956 0.000048 0.000005 -0.000023 0.000049 33O 2s -0.014047 0.008874 0.000048 0.000001 -0.000033 0.000071 33O 3s 0.201110 -0.096968 -0.000833 0.000238 -0.001628 -0.004942 33O 4s -0.742560 -0.022972 0.002736 -0.001609 0.036756 0.047431 33O 5s 0.018739 0.941023 0.001140 -0.015376 -0.120591 -0.050343 33O 1pz 0.008117 -0.077549 -0.000773 -0.003757 -0.002567 -0.001648 33O 1px -0.090725 0.013235 -0.000383 -0.002295 -0.006441 -0.007475 33O 1py -0.030933 -0.043448 0.001321 0.006062 -0.002067 -0.005185 33O 2pz -0.003703 0.355546 0.007222 0.011154 0.015760 0.019084 33O 2px 0.505535 -0.008884 0.003333 0.008810 0.014110 0.010868 33O 2py 0.195113 0.218548 -0.010341 -0.019938 0.010134 0.018750 33O 3pz -0.238345 0.010091 -0.033927 0.020929 0.046159 0.004237 33O 3px 0.062667 -0.212806 -0.021279 0.022795 0.040184 -0.032564 33O 3py -0.116249 -0.066734 0.050441 -0.045482 -0.036498 0.061705 33O 1dz2 -0.135487 -0.253232 -0.007296 0.007902 -0.000218 -0.004053 33O 1dxz -0.089065 0.160039 -0.003359 0.004937 0.009448 0.002963 33O 1dyz -0.215776 -0.283410 0.003931 -0.003755 -0.000022 -0.001206 33O 1dx2y2 0.090998 0.032528 -0.005189 0.007377 0.005905 -0.007615 33O 1dxy -0.037281 0.072245 -0.000700 -0.001258 -0.003259 0.007833 33O 2dz2 0.349239 0.425652 0.024460 -0.019349 0.005081 0.008781 33O 2dxz 0.133347 -0.260327 0.007990 -0.013931 -0.027558 -0.016340 33O 2dyz 0.368939 0.414033 -0.014623 0.008080 -0.006194 0.001885 33O 2dx2y2 -0.292407 -0.099670 0.013461 -0.021176 -0.013110 0.018716 33O 2dxy -0.069309 -0.170040 0.006957 0.006460 0.004969 -0.026544 33O 1f0 0.160419 0.075871 -0.003438 0.006274 -0.000593 -0.002666 33O 1f+1 -0.153472 -0.204294 -0.003083 -0.000426 0.003767 0.004198 33O 1f-1 0.104304 0.071094 -0.001022 -0.000082 -0.001906 -0.003474 33O 1f+2 -0.121314 0.016818 -0.002530 0.003381 0.001943 -0.001757 33O 1f-2 -0.175257 -0.166031 0.000777 0.003646 0.004302 0.002626 33O 1f+3 -0.144868 -0.072797 -0.000173 0.000166 -0.001798 0.003479 33O 1f-3 -0.026517 -0.061392 0.002952 0.000329 0.001437 0.000129 34O 1s -0.002468 -0.005429 -0.000014 0.000117 0.000053 -0.000025 34O 2s -0.009222 -0.017742 -0.000024 0.000127 0.000063 -0.000069 34O 3s 0.125795 0.222010 0.000536 -0.002622 -0.004303 0.004755 34O 4s -0.496554 -0.362311 -0.002072 0.007707 0.053204 -0.040513 34O 5s 0.281068 -1.154566 -0.017651 -0.015246 -0.154257 0.022246 34O 1pz -0.049011 0.013863 -0.001642 0.006291 -0.005364 0.002593 34O 1px 0.059165 0.102102 0.000435 0.001274 0.004807 -0.004230 34O 1py 0.051180 -0.050041 -0.000936 0.004059 0.004467 -0.005618 34O 2pz 0.280931 -0.053507 0.011288 -0.021004 0.017057 -0.008666 34O 2px -0.256163 -0.449004 -0.002488 -0.003467 -0.002897 -0.003893 34O 2py -0.316917 0.219031 0.008831 -0.012465 -0.019287 0.022234 34O 3pz -0.098203 0.051728 -0.053210 -0.042230 0.070030 0.042682 34O 3px -0.089497 -0.363220 -0.009580 -0.005225 -0.000303 -0.024925 34O 3py 0.172198 0.001054 -0.042140 -0.033372 -0.007728 0.060593 34O 1dz2 0.027665 -0.186102 -0.007346 -0.009855 0.008572 0.004297 34O 1dxz -0.138517 0.106425 -0.003321 -0.001829 -0.005381 -0.003156 34O 1dyz 0.205874 -0.081330 0.003867 0.004530 -0.003172 -0.000446 34O 1dx2y2 0.158910 0.105881 -0.005340 -0.006169 -0.002141 0.007507 34O 1dxy 0.174635 -0.311886 -0.000595 0.000670 0.001052 -0.008718 34O 2dz2 -0.033407 0.272178 0.020488 0.026907 -0.020162 -0.005529 34O 2dxz 0.345745 -0.139702 0.014959 0.001377 0.017706 0.009378 34O 2dyz -0.261483 0.098380 -0.012228 -0.011404 0.013251 -0.005575 34O 2dx2y2 -0.303309 -0.199404 0.016614 0.016566 0.012566 -0.022361 34O 2dxy -0.426519 0.438907 0.005663 -0.003961 -0.005101 0.027651 34O 1f0 -0.108528 0.014883 -0.001745 0.001678 0.002015 -0.001468 34O 1f+1 0.009591 0.090747 -0.002152 -0.002117 0.000652 -0.002917 34O 1f-1 0.088071 -0.040964 0.003942 0.005275 -0.004317 -0.001516 34O 1f+2 0.170667 -0.043183 0.000847 -0.003042 -0.000442 0.003570 34O 1f-2 -0.100140 0.000700 0.000849 0.003289 0.001928 -0.002373 34O 1f+3 0.197705 0.050154 0.000429 0.003078 -0.001238 0.002068 34O 1f-3 0.207222 -0.151357 -0.003196 -0.000869 -0.005040 0.003401 35O 1s 0.002662 0.007489 -0.000017 -0.000018 -0.000009 -0.000252 35O 2s 0.009731 0.025296 -0.000013 -0.000015 -0.000010 -0.000214 35O 3s -0.128045 -0.324958 0.000177 0.000237 0.002181 0.005622 35O 4s 0.488143 0.689287 -0.000355 -0.000817 -0.030532 -0.053224 35O 5s -0.341264 1.167058 0.015334 0.002164 0.090483 0.245360 35O 1pz 0.066451 -0.000656 -0.000848 0.003703 0.005537 0.004571 35O 1px -0.071928 -0.140760 -0.000959 0.002093 -0.004943 -0.007632 35O 1py 0.014316 -0.052132 0.001252 -0.005891 -0.000221 0.001170 35O 2pz -0.396170 -0.060928 0.007372 -0.011775 -0.017449 -0.014693 35O 2px 0.305040 0.623660 0.007161 -0.006145 0.009245 0.022775 35O 2py -0.129243 0.192623 -0.009226 0.018821 -0.002556 -0.003404 35O 3pz 0.180472 0.043466 -0.039843 -0.032714 -0.049354 -0.023697 35O 3px 0.067943 0.486581 -0.024282 -0.025114 -0.016271 0.061720 35O 3py 0.139601 0.203574 0.056149 0.045459 0.040220 -0.060202 35O 1dz2 0.172014 0.161137 -0.007478 -0.009708 -0.008806 0.001847 35O 1dxz 0.145589 -0.148209 -0.003664 -0.003135 0.004485 0.003334 35O 1dyz 0.267617 -0.062470 0.003833 0.005611 0.004929 -0.003892 35O 1dx2y2 -0.137270 -0.159663 -0.005233 -0.005100 0.002908 -0.000003 35O 1dxy 0.059250 -0.255945 -0.000759 -0.002622 -0.002260 0.009336 35O 2dz2 -0.253948 -0.273484 0.021436 0.026185 0.022724 0.001347 35O 2dxz -0.411936 0.091068 0.013682 0.006672 -0.016931 -0.010055 35O 2dyz -0.430456 0.036725 -0.010100 -0.015829 -0.007918 0.013684 35O 2dx2y2 0.308567 0.325422 0.019301 0.011767 -0.011005 0.003868 35O 2dxy -0.141319 0.352788 -0.001799 0.009645 0.004750 -0.024493 35O 1f0 0.180873 0.023119 -0.004158 -0.002932 -0.004811 -0.001824 35O 1f+1 -0.154804 -0.148129 -0.001937 -0.002776 0.001947 -0.000111 35O 1f-1 0.014056 -0.049863 -0.000245 -0.001906 -0.000982 -0.000692 35O 1f+2 -0.111765 0.006498 -0.002131 -0.005115 0.000205 0.002992 35O 1f-2 -0.225496 -0.052010 -0.000319 -0.001434 0.001538 0.006565 35O 1f+3 -0.176428 -0.095623 -0.001284 0.003803 0.002943 0.001085 35O 1f-3 -0.003581 -0.131030 0.002173 0.000798 -0.003398 -0.001709 744 745 746 747 748 749 14.22488 14.22884 14.35986 14.42055 14.44106 14.51124 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s -0.000140 -0.000044 0.000048 -0.000005 0.000007 -0.000266 0Rh 2s -0.000217 -0.000058 -0.000059 -0.000014 0.000012 0.001302 0Rh 3s -0.001017 -0.000313 0.000281 -0.000039 0.000050 -0.000983 0Rh 4s -0.000581 -0.000257 0.001824 0.000022 0.000017 -0.013444 0Rh 5s 0.005185 0.002003 -0.013838 0.000007 -0.000197 0.064960 0Rh 6s -0.005738 -0.002943 0.042594 0.000243 0.000140 -0.160600 0Rh 7s 0.008078 0.006102 -0.142576 -0.000933 -0.001326 0.693205 0Rh 8s -0.131860 0.007399 -0.272744 -0.001686 0.003481 -0.106317 0Rh 1pz -0.000334 -0.002615 -0.000475 0.000097 -0.000016 0.000582 0Rh 1px 0.000338 -0.000902 0.001631 0.000018 -0.000008 -0.001581 0Rh 1py -0.002621 0.000238 0.000488 0.000086 -0.000022 -0.000288 0Rh 2pz 0.001532 0.011881 0.002283 -0.000438 0.000070 -0.002756 0Rh 2px -0.001564 0.004099 -0.007793 -0.000082 0.000037 0.007541 0Rh 2py 0.011910 -0.001083 -0.002282 -0.000388 0.000099 0.001375 0Rh 3pz -0.007428 -0.055605 -0.013218 0.001923 -0.000311 0.015827 0Rh 3px 0.007959 -0.019232 0.044187 0.000396 -0.000221 -0.044691 0Rh 3py -0.055799 0.005109 0.011947 0.001776 -0.000447 -0.008197 0Rh 4pz 0.016115 0.115616 0.034868 -0.003550 0.000675 -0.041796 0Rh 4px -0.018373 0.040143 -0.114211 -0.000820 0.000621 0.121356 0Rh 4py 0.116226 -0.010747 -0.028155 -0.003651 0.000913 0.022455 0Rh 5pz -0.018525 -0.131947 -0.047461 0.003038 -0.001448 0.057142 0Rh 5px 0.022144 -0.046554 0.150792 0.000736 -0.001121 -0.170065 0Rh 5py -0.133309 0.012543 0.031706 0.004410 -0.000981 -0.032989 0Rh 6pz -0.019402 0.104326 -0.059975 -0.001243 0.013442 0.065613 0Rh 6px 0.045579 0.050722 0.324797 -0.001034 0.007867 -0.109247 0Rh 6py 0.106663 -0.007189 0.139726 0.002333 -0.021680 0.046776 0Rh 1dz2 0.056372 0.333594 0.238672 0.234542 -0.238366 0.239949 0Rh 1dxz -0.088589 -0.512692 0.338807 -0.031761 0.029303 0.329571 0Rh 1dyz 0.187672 -0.145114 0.038818 0.571867 -0.570427 0.054968 0Rh 1dx2y2 0.142317 -0.204730 -0.499844 0.082182 -0.079630 -0.492250 0Rh 1dxy -0.609306 0.020711 -0.131847 0.225692 -0.220763 -0.163617 0Rh 2dz2 -0.117483 -0.695314 -0.501440 -0.495077 0.503926 -0.509407 0Rh 2dxz 0.184763 1.069244 -0.712283 0.067034 -0.061926 -0.700094 0Rh 2dyz -0.391301 0.302577 -0.081559 -1.207322 1.206196 -0.116737 0Rh 2dx2y2 -0.296584 0.426662 1.050134 -0.173544 0.168434 1.044998 0Rh 2dxy 1.270450 -0.043184 0.277183 -0.476530 0.466867 0.347613 0Rh 3dz2 0.108850 0.644926 0.476734 0.477478 -0.488530 0.499765 0Rh 3dxz -0.171512 -0.992703 0.677939 -0.064609 0.059906 0.687486 0Rh 3dyz 0.363058 -0.280845 0.077572 1.164809 -1.170047 0.114632 0Rh 3dx2y2 0.274907 -0.395564 -0.998411 0.167516 -0.163506 -1.025190 0Rh 3dxy -1.178652 0.040120 -0.263962 0.459801 -0.452950 -0.341543 0Rh 4dz2 -0.062074 -0.368879 -0.301883 -0.314024 0.328199 -0.343054 0Rh 4dxz 0.098043 0.569013 -0.430265 0.042356 -0.039653 -0.472984 0Rh 4dyz -0.207946 0.160844 -0.049600 -0.766368 0.787720 -0.078883 0Rh 4dx2y2 -0.156404 0.225571 0.632094 -0.110436 0.110464 0.703904 0Rh 4dxy 0.674128 -0.023252 0.169382 -0.302593 0.305096 0.235244 0Rh 5dz2 0.034817 0.177861 0.281667 0.266628 -0.296127 0.259759 0Rh 5dxz -0.041159 -0.274726 0.398102 -0.034950 0.032931 0.359690 0Rh 5dyz 0.104471 -0.078205 0.053380 0.650024 -0.715031 0.060413 0Rh 5dx2y2 0.065028 -0.107177 -0.585694 0.094064 -0.101074 -0.533573 0Rh 5dxy -0.326522 0.011964 -0.179068 0.256530 -0.277118 -0.177980 0Rh 1f0 -0.000061 0.003185 0.009833 -0.000402 -0.002084 -0.004896 0Rh 1f+1 -0.000168 0.005777 -0.007703 0.000223 0.002363 0.004211 0Rh 1f-1 -0.000728 -0.000828 -0.000396 -0.000389 -0.002897 0.001434 0Rh 1f+2 -0.003333 -0.002381 -0.011650 -0.000266 -0.001653 0.006721 0Rh 1f-2 0.001169 -0.001400 -0.004311 0.001044 0.005752 0.002823 0Rh 1f+3 -0.003836 0.001391 -0.013962 -0.000226 -0.000552 0.007759 0Rh 1f-3 0.004990 0.000224 -0.009505 -0.000522 -0.003412 0.004784 1Rh 1s 0.000138 0.000045 -0.000050 -0.000005 -0.000008 -0.000263 1Rh 2s 0.000214 0.000060 0.000058 -0.000013 -0.000014 0.001308 1Rh 3s 0.001003 0.000324 -0.000296 -0.000037 -0.000058 -0.000964 1Rh 4s 0.000572 0.000264 -0.001851 0.000024 -0.000022 -0.013441 1Rh 5s -0.005098 -0.002068 0.014025 -0.000015 0.000239 0.064856 1Rh 6s 0.005599 0.003043 -0.043033 0.000292 -0.000198 -0.160380 1Rh 7s -0.007732 -0.006414 0.144517 -0.001163 0.001762 0.692445 1Rh 8s 0.132714 -0.007771 0.272157 -0.002091 -0.003900 -0.106583 1Rh 1pz -0.000323 -0.002610 -0.000475 -0.000099 -0.000016 -0.000575 1Rh 1px 0.000344 -0.000902 0.001632 -0.000020 -0.000006 0.001579 1Rh 1py -0.002619 0.000244 0.000486 -0.000084 -0.000020 0.000286 1Rh 2pz 0.001479 0.011861 0.002286 0.000448 0.000074 0.002721 1Rh 2px -0.001593 0.004101 -0.007797 0.000091 0.000030 -0.007529 1Rh 2py 0.011900 -0.001109 -0.002275 0.000379 0.000088 -0.001368 1Rh 3pz -0.007235 -0.055532 -0.013238 -0.001965 -0.000330 -0.015667 1Rh 3px 0.008085 -0.019246 0.044231 -0.000438 -0.000191 0.044612 1Rh 3py -0.055765 0.005204 0.011919 -0.001740 -0.000398 0.008159 1Rh 4pz 0.015908 0.115542 0.034944 0.003629 0.000716 0.041471 1Rh 4px -0.018589 0.040191 -0.114374 0.000909 0.000562 -0.121131 1Rh 4py 0.116194 -0.010856 -0.028107 0.003604 0.000821 -0.022363 1Rh 5pz -0.018929 -0.132132 -0.047669 -0.003116 -0.001510 -0.056795 1Rh 5px 0.022245 -0.046688 0.151044 -0.000821 -0.001039 0.169754 1Rh 5py -0.133416 0.012354 0.031666 -0.004401 -0.000883 0.032852 1Rh 6pz -0.013600 0.107095 -0.056775 0.001456 0.013970 -0.066426 1Rh 6px 0.046737 0.051492 0.326185 0.000265 0.007504 0.107846 1Rh 6py 0.108544 -0.003774 0.138724 -0.002300 -0.021475 -0.045912 1Rh 1dz2 -0.061205 -0.336183 -0.238541 0.233556 0.238848 0.240603 1Rh 1dxz 0.096191 0.516100 -0.337004 -0.031405 -0.029412 0.330198 1Rh 1dyz -0.186586 0.144459 -0.038341 0.569947 0.572666 0.055256 1Rh 1dx2y2 -0.140549 0.203982 0.498991 0.081548 0.080070 -0.493437 1Rh 1dxy 0.611701 -0.016150 0.132085 0.224917 0.221337 -0.164071 1Rh 2dz2 0.127558 0.700708 0.501156 -0.492993 -0.504941 -0.510786 1Rh 2dxz -0.200622 -1.076350 0.708480 0.066282 0.062154 -0.701416 1Rh 2dyz 0.389034 -0.301208 0.080554 -1.203259 -1.210922 -0.117346 1Rh 2dx2y2 0.292897 -0.425100 -1.048321 -0.172206 -0.169362 1.047498 1Rh 2dxy -1.275441 0.033668 -0.277681 -0.474891 -0.468079 0.348572 1Rh 3dz2 -0.118212 -0.649932 -0.476440 0.475456 0.489503 0.501092 1Rh 3dxz 0.186266 0.999303 -0.674278 -0.063886 -0.060127 0.688750 1Rh 3dyz -0.360944 0.279564 -0.076606 1.160855 1.174597 0.115221 1Rh 3dx2y2 -0.271478 0.394105 0.996634 0.166221 0.164400 -1.027591 1Rh 3dxy 1.183278 -0.031257 0.264423 0.458206 0.454117 -0.342470 1Rh 4dz2 0.067561 0.371792 0.301651 -0.312657 -0.328822 -0.343915 1Rh 4dxz -0.106731 -0.572877 0.427856 0.041890 0.039799 -0.473797 1Rh 4dyz 0.206686 -0.160072 0.048963 -0.763652 -0.790672 -0.079265 1Rh 4dx2y2 0.154388 -0.224701 -0.630860 -0.109565 -0.111042 0.705455 1Rh 4dxy -0.676812 0.018012 -0.169646 -0.301494 -0.305848 0.235858 1Rh 5dz2 -0.038181 -0.179568 -0.281499 0.265387 0.296610 0.260551 1Rh 5dxz 0.046701 0.277199 -0.396311 -0.034585 -0.033054 0.360629 1Rh 5dyz -0.103482 0.077673 -0.052872 0.647358 0.717395 0.060749 1Rh 5dx2y2 -0.063709 0.106604 0.584766 0.093185 0.101496 -0.535094 1Rh 5dxy 0.328219 -0.008602 0.179262 0.255379 0.277683 -0.178604 1Rh 1f0 -0.000135 0.003170 0.009828 0.000401 -0.002091 0.004859 1Rh 1f+1 -0.000308 0.005712 -0.007718 -0.000225 0.002354 -0.004217 1Rh 1f-1 -0.000727 -0.000813 -0.000386 0.000390 -0.002902 -0.001429 1Rh 1f+2 -0.003255 -0.002326 -0.011673 0.000271 -0.001656 -0.006682 1Rh 1f-2 0.001226 -0.001406 -0.004333 -0.001072 0.005741 -0.002796 1Rh 1f+3 -0.003863 0.001419 -0.013952 0.000238 -0.000556 -0.007734 1Rh 1f-3 0.004914 0.000135 -0.009523 0.000543 -0.003397 -0.004769 2C 1s 0.002830 0.003204 -0.000503 -0.002112 0.001130 0.000941 2C 2s -0.002044 -0.002297 0.000338 0.001979 -0.000626 -0.000827 2C 3s 0.071913 0.080118 -0.006740 -0.117603 -0.000736 0.054765 2C 4s -0.472021 -0.526663 0.046254 0.685153 0.001003 -0.290776 2C 5s 0.490288 0.635995 0.009961 0.021700 -0.105441 -0.135703 2C 1pz 0.004449 0.006685 -0.001467 -0.012280 0.000388 0.009649 2C 1px 0.001444 0.003206 -0.000204 -0.001205 -0.001800 0.003691 2C 1py 0.005201 0.001259 -0.000594 -0.008500 -0.000486 0.005856 2C 2pz -0.263221 -0.303331 0.025955 0.358306 0.017326 -0.194900 2C 2px -0.057111 -0.084779 0.045124 0.066001 -0.013771 -0.060701 2C 2py -0.186815 -0.177504 0.028215 0.242781 0.004752 -0.123491 2C 3pz 0.107194 0.107241 0.012945 0.044285 -0.024457 -0.051709 2C 3px 0.031993 0.039173 -0.062095 0.059533 0.027833 0.016958 2C 3py 0.031288 0.096583 -0.006080 0.023139 -0.006076 -0.040071 2C 1dz2 -0.009492 -0.004503 -0.001517 0.008931 0.002667 -0.003347 2C 1dxz -0.004241 -0.003413 0.003938 0.003593 -0.002784 -0.002800 2C 1dyz -0.006707 -0.011231 0.001513 0.014234 -0.000444 -0.004372 2C 1dx2y2 0.002609 0.006817 0.001099 -0.002971 -0.002020 0.003204 2C 1dxy -0.001647 -0.000567 0.002922 0.003502 -0.002335 -0.000377 2C 2dz2 -0.048547 -0.080523 0.009055 0.078801 -0.000525 -0.044646 2C 2dxz -0.017191 -0.017272 -0.005808 0.042269 0.011515 -0.006572 2C 2dyz -0.108161 -0.106187 0.018416 0.116185 0.007228 -0.081145 2C 2dx2y2 0.031345 0.012567 0.002905 -0.035701 -0.000784 0.011787 2C 2dxy -0.015943 -0.030102 -0.000495 0.023254 0.008263 -0.020643 2C 1f0 -0.002181 -0.006505 0.001425 0.004649 -0.001975 -0.002201 2C 1f+1 -0.006572 -0.008467 0.001696 0.005331 0.000801 -0.005828 2C 1f-1 -0.013750 -0.015399 0.000528 0.022010 0.000668 -0.009601 2C 1f+2 0.011552 0.010973 -0.001902 -0.011704 0.001478 0.008199 2C 1f-2 -0.005389 -0.006090 -0.000267 0.009604 0.000524 -0.004696 2C 1f+3 -0.000634 -0.000698 0.000659 0.001690 0.002017 -0.000443 2C 1f-3 -0.004674 -0.004268 0.002141 0.000688 -0.001262 -0.003552 3C 1s -0.003188 0.002907 -0.000009 0.002157 -0.000841 0.000805 3C 2s 0.002267 -0.002100 -0.000081 -0.002002 0.000491 -0.000750 3C 3s -0.077484 0.072537 0.013702 0.117334 -0.003342 0.055030 3C 4s 0.511508 -0.476780 -0.077812 -0.685012 0.019324 -0.293267 3C 5s -0.623628 0.508963 0.079012 -0.024030 0.063171 -0.125169 3C 1pz 0.000090 0.004258 0.000375 0.008322 -0.000580 0.003867 3C 1px -0.001876 0.002681 0.001008 0.003898 0.001675 0.004403 3C 1py 0.007228 -0.004805 -0.000916 -0.011743 0.000601 -0.010390 3C 2pz 0.135979 -0.160654 -0.033000 -0.219462 -0.005471 -0.096637 3C 2px 0.119383 -0.110688 0.017639 -0.131950 0.016859 -0.080610 3C 2py -0.303824 0.269445 0.043752 0.354725 0.003386 0.206715 3C 3pz -0.069751 0.021427 0.022724 0.010356 0.017831 -0.051941 3C 3px -0.070444 0.035548 -0.046512 -0.046822 -0.026028 -0.000579 3C 3py 0.110161 -0.115775 -0.016612 0.060106 -0.013319 0.042185 3C 1dz2 0.002010 0.004099 -0.001452 0.003663 -0.001105 -0.000333 3C 1dxz 0.005753 -0.002958 -0.000097 -0.003848 -0.000040 -0.002854 3C 1dyz -0.008957 0.006022 0.002152 0.012826 0.000893 0.003622 3C 1dx2y2 -0.006056 0.008824 0.003664 0.008102 0.002428 0.004512 3C 1dxy -0.006637 0.005155 -0.003509 0.007654 -0.003935 0.002995 3C 2dz2 -0.039165 0.005188 0.004919 0.024106 0.003823 0.019378 3C 2dxz 0.018192 -0.030335 -0.011386 -0.038944 -0.005394 -0.017106 3C 2dyz -0.103269 0.100766 0.008510 0.097647 -0.002347 0.081377 3C 2dx2y2 -0.060879 0.049328 0.007252 0.081141 -0.003820 0.035408 3C 2dxy -0.047162 0.051883 0.009518 0.070565 0.011002 0.032930 3C 1f0 -0.006205 0.005337 0.000963 0.012197 0.000671 0.003467 3C 1f+1 0.002984 -0.003716 0.000819 0.000251 0.002055 -0.002882 3C 1f-1 -0.000059 0.003262 0.000250 0.000251 0.000446 0.001774 3C 1f+2 -0.011101 0.010330 0.002562 0.016791 -0.002067 0.007658 3C 1f-2 -0.011222 0.011577 0.001348 0.012932 -0.000267 0.008236 3C 1f+3 0.010943 -0.010247 -0.001786 -0.011615 -0.001101 -0.007499 3C 1f-3 -0.009311 0.006407 -0.000412 0.005642 -0.001933 0.005632 4C 1s 0.004601 0.005167 -0.000746 -0.007429 0.000431 0.002448 4C 2s -0.001933 -0.002199 0.000364 0.003258 -0.000233 -0.000590 4C 3s -0.106094 -0.128655 0.009352 0.242511 0.000117 -0.155644 4C 4s 0.375481 0.462119 -0.023817 -0.972569 -0.017466 0.748169 4C 5s -0.192684 -0.248445 0.064478 -0.149246 0.042435 0.230665 4C 1pz 0.013160 0.015118 0.000366 -0.011220 0.002957 -0.001638 4C 1px 0.002252 0.003735 -0.005885 -0.001864 -0.010429 -0.000555 4C 1py 0.009773 0.008585 -0.002201 -0.007443 -0.001792 -0.001069 4C 2pz -0.275698 -0.266611 -0.035315 0.241618 0.010363 -0.027428 4C 2px -0.027313 -0.095189 0.236660 0.057367 -0.004849 -0.004114 4C 2py -0.165344 -0.196410 0.067195 0.164621 0.003172 -0.015432 4C 3pz 0.276175 0.424872 -0.031254 0.209334 -0.057275 0.044786 4C 3px 0.073334 0.055577 0.104522 0.031990 0.087750 0.029085 4C 3py 0.251204 0.235076 0.017010 0.141449 -0.004752 0.045287 4C 1dz2 -0.013274 -0.007701 -0.000548 0.012448 0.001025 -0.006042 4C 1dxz -0.007026 -0.007071 0.004269 0.010250 -0.002830 -0.005878 4C 1dyz -0.012518 -0.018393 0.001633 0.014708 -0.000063 -0.000021 4C 1dx2y2 0.005137 0.011909 -0.000850 -0.014364 -0.000113 0.011636 4C 1dxy -0.001215 -0.002792 0.002437 -0.001297 -0.001864 0.005252 4C 2dz2 0.117836 0.119399 -0.081911 -0.094143 0.031505 0.071367 4C 2dxz 0.076505 0.041891 0.100500 0.004817 -0.049852 0.012311 4C 2dyz 0.172403 0.209552 -0.026186 -0.214347 0.000392 0.126603 4C 2dx2y2 -0.048956 -0.064184 0.021139 -0.032666 -0.005114 -0.004365 4C 2dxy 0.045470 0.040240 0.084793 -0.081529 -0.041934 0.038303 4C 1f0 -0.008582 -0.007040 -0.003808 0.017211 0.012512 -0.010174 4C 1f+1 -0.012749 -0.015493 0.006131 0.035698 -0.012291 -0.017354 4C 1f-1 -0.012415 -0.011903 -0.005556 0.023749 0.005580 -0.012737 4C 1f+2 0.011095 0.017900 -0.005881 -0.034863 -0.007724 0.018755 4C 1f-2 -0.002729 -0.005814 0.014901 0.008348 -0.015730 -0.003854 4C 1f+3 -0.000021 0.000618 -0.002899 -0.000559 -0.011685 0.001027 4C 1f-3 -0.009822 -0.011789 -0.008433 0.027820 -0.001065 -0.013468 5C 1s -0.005065 0.004604 0.000475 0.007419 -0.000364 0.002520 5C 2s 0.002158 -0.001933 -0.000233 -0.003260 0.000183 -0.000615 5C 3s 0.128199 -0.109659 -0.019410 -0.241341 -0.001003 -0.154649 5C 4s -0.464152 0.393244 0.090393 0.967770 0.021304 0.740746 5C 5s 0.244144 -0.194992 -0.031263 0.151799 -0.003051 0.217127 5C 1pz -0.007018 0.008831 0.002416 0.006349 -0.003731 -0.001036 5C 1px -0.005059 0.005719 -0.004829 0.004571 0.009993 -0.000597 5C 1py 0.014650 -0.013256 -0.002978 -0.011281 0.002766 0.001669 5C 2pz 0.151036 -0.156594 -0.086751 -0.140184 0.003375 -0.020922 5C 2px 0.129687 -0.079223 0.209047 -0.100077 0.010561 0.007071 5C 2py -0.263498 0.273334 0.069701 0.244604 -0.008606 0.036028 5C 3pz -0.230217 0.230867 -0.013089 -0.132243 0.044983 0.041838 5C 3px -0.087136 0.132463 0.103846 -0.075623 -0.081619 0.008372 5C 3py 0.423147 -0.295804 -0.006927 0.205241 -0.039955 -0.049251 5C 1dz2 0.002917 0.003355 -0.001620 -0.003331 -0.001141 -0.005541 5C 1dxz 0.010395 -0.004690 -0.000088 -0.011258 0.001301 -0.007994 5C 1dyz -0.015180 0.010554 0.002036 0.010681 0.000868 -0.002262 5C 1dx2y2 -0.011134 0.014401 0.003647 0.017364 0.001541 0.010614 5C 1dxy -0.010780 0.008273 -0.001844 0.011357 -0.002681 0.003273 5C 2dz2 0.028488 -0.046946 -0.047416 -0.089391 -0.020703 -0.047330 5C 2dxz -0.062533 0.059142 0.064341 0.007126 0.022949 0.027922 5C 2dyz 0.188823 -0.148393 0.030515 -0.212397 0.024111 -0.115673 5C 2dx2y2 0.112925 -0.118220 0.054098 -0.039409 0.036397 -0.044000 5C 2dxy 0.100265 -0.112682 -0.120245 -0.087028 -0.047114 -0.070740 5C 1f0 -0.000904 0.002281 0.006012 -0.000699 -0.004733 0.001581 5C 1f+1 0.009264 -0.006986 -0.007303 -0.020676 0.001843 -0.011258 5C 1f-1 -0.000942 -0.000686 0.007357 0.002889 0.007317 0.001084 5C 1f+2 -0.007389 0.007878 0.004562 0.016224 0.014388 0.007736 5C 1f-2 -0.017617 0.011470 -0.011911 0.032781 -0.007396 0.016054 5C 1f+3 0.016943 -0.015193 -0.001519 -0.035307 0.014018 -0.019366 5C 1f-3 -0.013263 0.013919 0.010407 0.033796 0.015087 0.016577 6C 1s 0.005098 -0.004608 -0.000480 0.007414 0.000398 0.002512 6C 2s -0.002173 0.001935 0.000237 -0.003257 -0.000199 -0.000612 6C 3s -0.127516 0.109592 0.018612 -0.241358 0.000158 -0.155383 6C 4s 0.459562 -0.392633 -0.086198 0.967953 -0.018297 0.744965 6C 5s -0.247853 0.195669 0.032869 0.151837 0.004422 0.219063 6C 1pz -0.007043 0.008838 0.002438 -0.006340 -0.003774 0.001034 6C 1px -0.005001 0.005706 -0.004853 -0.004607 0.009990 0.000597 6C 1py 0.014691 -0.013242 -0.003002 0.011256 0.002818 -0.001682 6C 2pz 0.152199 -0.156482 -0.087760 0.140139 0.004125 0.020349 6C 2px 0.129283 -0.079521 0.210822 0.100007 0.010574 -0.007095 6C 2py -0.265141 0.273164 0.070572 -0.244404 -0.009719 -0.035053 6C 3pz -0.228338 0.231458 -0.014269 0.131523 0.046163 -0.042974 6C 3px -0.085945 0.132148 0.104872 0.075478 -0.081303 -0.008729 6C 3py 0.420213 -0.296549 -0.005201 -0.204704 -0.041797 0.051207 6C 1dz2 -0.002899 -0.003354 0.001619 -0.003319 0.001119 -0.005556 6C 1dxz -0.010315 0.004686 0.000000 -0.011253 -0.001337 -0.008054 6C 1dyz 0.015236 -0.010560 -0.002093 0.010685 -0.000807 -0.002304 6C 1dx2y2 0.011146 -0.014405 -0.003648 0.017369 -0.001461 0.010647 6C 1dxy 0.010696 -0.008261 0.001951 0.011349 0.002709 0.003311 6C 2dz2 -0.027821 0.047045 0.047244 -0.089557 0.020455 -0.047807 6C 2dxz 0.062849 -0.059291 -0.064832 0.007103 -0.022763 0.027591 6C 2dyz -0.188488 0.148375 -0.031197 -0.212253 -0.024895 -0.115885 6C 2dx2y2 -0.113844 0.118192 -0.054000 -0.039180 -0.036664 -0.043338 6C 2dxy -0.101034 0.112332 0.120619 -0.087288 0.046656 -0.070674 6C 1f0 -0.001084 0.002185 0.006088 0.000696 -0.004740 -0.001515 6C 1f+1 0.009265 -0.006907 -0.007248 0.020673 0.001904 0.011344 6C 1f-1 -0.000889 -0.000648 0.007381 -0.002914 0.007303 -0.001099 6C 1f+2 -0.007335 0.007917 0.004513 -0.016244 0.014324 -0.007740 6C 1f-2 -0.017584 0.011448 -0.012092 -0.032762 -0.007484 -0.016158 6C 1f+3 0.016707 -0.015252 -0.001462 0.035251 0.014151 0.019481 6C 1f-3 -0.013176 0.013875 0.010289 -0.033859 0.014971 -0.016706 7C 1s -0.004613 -0.005177 0.000758 -0.007433 -0.000473 0.002452 7C 2s 0.001939 0.002202 -0.000369 0.003260 0.000253 -0.000594 7C 3s 0.105444 0.128779 -0.009181 0.242764 0.000843 -0.156415 7C 4s -0.371511 -0.462514 0.022722 -0.973699 0.013989 0.752285 7C 5s 0.194961 0.247698 -0.065606 -0.148428 -0.043585 0.231431 7C 1pz 0.013020 0.015120 0.000384 0.011187 0.003000 0.001623 7C 1px 0.002353 0.003796 -0.005893 0.001878 -0.010435 0.000579 7C 1py 0.009822 0.008712 -0.002205 0.007489 -0.001767 0.001069 7C 2pz -0.274483 -0.267335 -0.035620 -0.241256 0.009271 0.027143 7C 2px -0.027943 -0.095107 0.238722 -0.057263 -0.004476 0.002505 7C 2py -0.166231 -0.198263 0.067916 -0.165524 0.002711 0.015093 7C 3pz 0.273525 0.422984 -0.031483 -0.208845 -0.059521 -0.045466 7C 3px 0.073096 0.055473 0.105825 -0.032264 0.087948 -0.030005 7C 3py 0.250119 0.234779 0.017684 -0.141313 -0.006125 -0.045415 7C 1dz2 0.013219 0.007690 0.000566 0.012483 -0.000958 -0.006096 7C 1dxz 0.007158 0.007161 -0.004313 0.010270 0.002850 -0.005860 7C 1dyz 0.012537 0.018343 -0.001629 0.014700 0.000128 -0.000009 7C 1dx2y2 -0.005056 -0.011888 0.000848 -0.014384 0.000022 0.011730 7C 1dxy 0.001351 0.002844 -0.002522 -0.001299 0.001853 0.005329 7C 2dz2 -0.117000 -0.119026 0.082356 -0.093427 -0.031816 0.070349 7C 2dxz -0.076765 -0.042402 -0.100805 0.005061 0.049693 0.012138 7C 2dyz -0.172399 -0.210210 0.026382 -0.214999 -0.001265 0.127199 7C 2dx2y2 0.049434 0.065121 -0.021618 -0.032186 0.005173 -0.004407 7C 2dxy -0.045262 -0.040506 -0.085372 -0.081596 0.041579 0.038872 7C 1f0 -0.008423 -0.006899 -0.003797 -0.017121 0.012430 0.010136 7C 1f+1 -0.012595 -0.015449 0.006036 -0.035566 -0.012419 0.017399 7C 1f-1 -0.012342 -0.011960 -0.005594 -0.023771 0.005497 0.012801 7C 1f+2 0.011071 0.017958 -0.005945 0.035023 -0.007620 -0.018908 7C 1f-2 -0.002720 -0.005776 0.014929 -0.008329 -0.015765 0.003803 7C 1f+3 -0.000132 0.000542 -0.002966 0.000615 -0.011721 -0.001040 7C 1f-3 -0.009797 -0.011846 -0.008549 -0.027944 -0.001199 0.013681 8C 1s 0.003183 -0.002906 0.000013 0.002150 0.000871 0.000814 8C 2s -0.002264 0.002099 0.000078 -0.001998 -0.000511 -0.000756 8C 3s 0.077573 -0.072500 -0.013606 0.117292 0.003813 0.055057 8C 4s -0.512254 0.476521 0.077427 -0.684718 -0.022124 -0.293291 8C 5s 0.622171 -0.510022 -0.078633 -0.023134 -0.065915 -0.123726 8C 1pz 0.000076 0.004263 0.000381 -0.008291 -0.000611 -0.003892 8C 1px -0.001889 0.002707 0.000974 -0.003885 0.001652 -0.004446 8C 1py 0.007220 -0.004776 -0.000883 0.011761 0.000652 0.010360 8C 2pz 0.136256 -0.160659 -0.032918 0.219167 -0.004699 0.096906 8C 2px 0.119921 -0.111073 0.017897 0.131758 0.017369 0.080940 8C 2py -0.303974 0.268979 0.043252 -0.354856 0.002074 -0.206416 8C 3pz -0.069412 0.021547 0.022755 -0.010116 0.018111 0.051489 8C 3px -0.070712 0.036249 -0.046790 0.047851 -0.025774 0.000005 8C 3py 0.109717 -0.115790 -0.016566 -0.059301 -0.013921 -0.042210 8C 1dz2 -0.002001 -0.004111 0.001470 0.003653 0.001153 -0.000318 8C 1dxz -0.005756 0.002970 0.000086 -0.003849 0.000015 -0.002845 8C 1dyz 0.008962 -0.006001 -0.002120 0.012831 -0.000830 0.003626 8C 1dx2y2 0.006042 -0.008828 -0.003669 0.008107 -0.002417 0.004524 8C 1dxy 0.006667 -0.005153 0.003494 0.007630 0.003944 0.002989 8C 2dz2 0.039239 -0.005196 -0.004716 0.024152 -0.003754 0.019389 8C 2dxz -0.018296 0.030053 0.011334 -0.038985 0.005288 -0.017071 8C 2dyz 0.103297 -0.100737 -0.008217 0.097704 0.002645 0.081316 8C 2dx2y2 0.061123 -0.049364 -0.007272 0.080942 0.004062 0.035605 8C 2dxy 0.047038 -0.051857 -0.009480 0.070666 -0.010768 0.032862 8C 1f0 -0.006175 0.005339 0.000972 -0.012179 0.000690 -0.003490 8C 1f+1 0.002980 -0.003692 0.000827 -0.000290 0.002025 0.002845 8C 1f-1 -0.000050 0.003241 0.000224 -0.000274 0.000453 -0.001768 8C 1f+2 -0.011079 0.010316 0.002544 -0.016762 -0.002144 -0.007678 8C 1f-2 -0.011258 0.011586 0.001350 -0.012963 -0.000369 -0.008240 8C 1f+3 0.010979 -0.010232 -0.001746 0.011607 -0.001050 0.007486 8C 1f-3 -0.009332 0.006412 -0.000444 -0.005650 -0.001967 -0.005635 9C 1s -0.002824 -0.003204 0.000506 -0.002101 -0.001164 0.000953 9C 2s 0.002038 0.002300 -0.000339 0.001974 0.000648 -0.000835 9C 3s -0.071672 -0.080435 0.006646 -0.117731 0.000262 0.054946 9C 4s 0.470858 0.528444 -0.045993 0.685780 0.001883 -0.291618 9C 5s -0.489162 -0.634153 -0.010919 0.020178 0.108397 -0.135023 9C 1pz 0.004348 0.006691 -0.001444 0.012290 0.000434 -0.009600 9C 1px 0.001409 0.003180 -0.000235 0.001182 -0.001790 -0.003685 9C 1py 0.005241 0.001407 -0.000636 0.008510 -0.000452 -0.005968 9C 2pz -0.261455 -0.303509 0.025874 -0.358209 0.016037 0.194256 9C 2px -0.056159 -0.084225 0.045431 -0.065539 -0.014021 0.060413 9C 2py -0.187682 -0.180205 0.028825 -0.243821 0.003971 0.125068 9C 3pz 0.106817 0.106043 0.013420 -0.042893 -0.025178 0.052122 9C 3px 0.031357 0.038516 -0.062740 -0.059937 0.027656 -0.016927 9C 3py 0.032090 0.097275 -0.006609 -0.024851 -0.006478 0.039124 9C 1dz2 0.009490 0.004489 0.001501 0.008887 -0.002620 -0.003348 9C 1dxz 0.004208 0.003388 -0.003907 0.003557 0.002747 -0.002790 9C 1dyz 0.006704 0.011267 -0.001505 0.014277 0.000475 -0.004387 9C 1dx2y2 -0.002683 -0.006847 -0.001076 -0.003031 0.001998 0.003223 9C 1dxy 0.001587 0.000533 -0.002984 0.003489 0.002434 -0.000371 9C 2dz2 0.047829 0.080555 -0.009127 0.078044 0.000783 -0.044624 9C 2dxz 0.016777 0.017131 0.005966 0.041830 -0.011314 -0.006564 9C 2dyz 0.108036 0.106781 -0.018561 0.116896 -0.006923 -0.081201 9C 2dx2y2 -0.031320 -0.013341 -0.002937 -0.036269 0.000727 0.011929 9C 2dxy 0.015566 0.029927 0.000334 0.023434 -0.008259 -0.020390 9C 1f0 -0.002108 -0.006447 0.001420 -0.004455 -0.001996 0.002202 9C 1f+1 -0.006456 -0.008413 0.001754 -0.005268 0.000712 0.005801 9C 1f-1 -0.013670 -0.015468 0.000517 -0.022005 0.000611 0.009617 9C 1f+2 0.011627 0.011129 -0.001882 0.011923 0.001591 -0.008257 9C 1f-2 -0.005298 -0.006057 -0.000300 -0.009528 0.000504 0.004731 9C 1f+3 -0.000607 -0.000700 0.000638 -0.001735 0.002059 0.000456 9C 1f-3 -0.004671 -0.004296 0.002197 -0.000708 -0.001179 0.003497 10H 1s 0.004571 0.006138 -0.002397 0.001454 -0.000094 0.002113 10H 2s -0.000150 0.014566 -0.023204 0.001293 0.022795 0.025050 10H 3s -0.042477 -0.060995 0.032041 -0.010558 -0.014805 -0.021676 10H 1pz 0.003393 0.006071 -0.003605 -0.006506 0.002375 0.001880 10H 1px -0.002059 -0.004468 0.004296 -0.001118 -0.005973 -0.004577 10H 1py 0.001800 0.004860 -0.001743 -0.003981 0.001101 0.001504 11H 1s -0.002800 -0.002820 0.002252 -0.003553 -0.002066 -0.006241 11H 2s -0.001936 -0.026887 0.010389 -0.002086 0.014939 -0.005810 11H 3s -0.017378 -0.035582 -0.025506 0.065319 0.023269 0.032726 11H 1pz 0.008868 0.002566 0.000674 -0.004968 0.003693 0.002891 11H 1px -0.001142 -0.004191 0.002459 -0.004887 0.001349 -0.004470 11H 1py 0.006444 0.004729 -0.002255 -0.000498 0.000389 0.003746 12H 1s 0.000274 -0.000088 0.001876 -0.001748 -0.002175 -0.003059 12H 2s -0.007614 -0.001588 0.013874 0.005016 0.012824 0.009858 12H 3s -0.042776 -0.034910 -0.025451 0.042035 0.027263 0.016562 12H 1pz 0.003491 0.008094 -0.001174 -0.003374 0.002379 0.003049 12H 1px -0.001398 -0.001896 0.002214 -0.003240 0.001212 -0.002889 12H 1py 0.002716 0.006606 0.002782 -0.003548 0.002354 0.003393 13H 1s -0.005481 0.004134 -0.000676 -0.001254 -0.000467 0.002379 13H 2s -0.020144 0.004343 -0.019702 -0.003064 -0.019888 0.021462 13H 3s 0.063203 -0.048411 0.017697 0.007613 0.019513 -0.018711 13H 1pz -0.008350 0.003931 -0.002805 0.003188 -0.004315 0.003863 13H 1px 0.001832 -0.001294 0.002441 0.001998 0.004431 -0.002464 13H 1py 0.005409 -0.003107 0.001955 -0.006288 0.000664 -0.000352 14H 1s -0.001115 0.001404 0.001926 0.000948 0.001654 -0.001853 14H 2s 0.002301 -0.009829 0.013423 -0.005897 -0.007349 0.012924 14H 3s 0.033892 -0.041854 -0.030933 -0.032293 -0.024036 0.007697 14H 1pz -0.007387 0.003283 0.002562 0.001697 -0.000941 0.004934 14H 1px -0.000723 -0.000277 0.003326 0.003570 -0.001103 -0.000154 14H 1py 0.006196 -0.002620 -0.000358 -0.004307 0.002690 -0.001658 15H 1s 0.003666 -0.003266 0.000677 0.004080 0.001648 -0.006857 15H 2s 0.031891 -0.007425 0.003995 0.005460 -0.012293 -0.012664 15H 3s 0.028374 -0.013152 -0.020128 -0.070757 -0.016081 0.034782 15H 1pz -0.007502 0.008242 -0.000618 -0.002168 -0.000033 0.006878 15H 1px 0.000957 0.001547 0.000359 0.003400 -0.000370 -0.001606 15H 1py 0.000460 -0.007486 -0.001749 -0.006663 0.003539 -0.000338 16H 1s -0.000639 0.001081 0.009672 0.010329 -0.012171 0.007723 16H 2s 0.038523 0.019754 -0.103172 0.008341 -0.006559 -0.078622 16H 3s 0.024833 0.032736 0.015070 0.007067 -0.013589 0.015539 16H 1pz 0.010392 0.002809 -0.021229 0.005506 -0.005480 -0.015114 16H 1px -0.004126 -0.009670 0.011159 -0.001731 0.001915 0.008722 16H 1py -0.002754 0.000404 0.000156 0.001816 -0.001925 0.000522 17H 1s -0.000779 -0.000388 0.009470 -0.009545 0.011030 0.007335 17H 2s 0.038459 -0.011209 -0.103911 -0.009077 0.010984 -0.080386 17H 3s 0.023476 -0.035304 0.017396 -0.005401 0.010810 0.016789 17H 1pz -0.005739 -0.005304 0.009323 0.004176 -0.004858 0.006397 17H 1px -0.010261 0.007361 0.023629 0.005060 -0.005772 0.017861 17H 1py -0.001490 0.001078 -0.003137 -0.001622 0.001714 -0.002057 18H 1s 0.000814 0.000393 -0.009421 -0.009277 -0.010804 0.007334 18H 2s -0.037978 0.010255 0.103895 -0.008918 -0.010631 -0.080850 18H 3s -0.021970 0.035817 -0.017404 -0.005292 -0.010579 0.016958 18H 1pz -0.005984 -0.005546 0.009510 -0.004321 -0.005036 -0.006584 18H 1px -0.009862 0.007154 0.023639 -0.004935 -0.005604 -0.017956 18H 1py -0.001734 0.001241 -0.002743 0.001219 0.001241 0.001793 19H 1s 0.000616 -0.001118 -0.009670 0.010338 0.012258 0.007765 19H 2s -0.038878 -0.020489 0.103394 0.008082 0.006538 -0.079159 19H 3s -0.026857 -0.032810 -0.014873 0.007011 0.013594 0.015326 19H 1pz 0.010397 0.003019 -0.021236 -0.005251 -0.005291 0.015214 19H 1px -0.004601 -0.009798 0.011248 0.001820 0.002046 -0.008849 19H 1py -0.002591 0.000546 -0.000262 -0.002143 -0.002305 -0.000252 20H 1s -0.003616 0.003227 -0.000726 0.004059 -0.001671 -0.006809 20H 2s -0.031861 0.007238 -0.004323 0.005137 0.012566 -0.012385 20H 3s -0.028166 0.013398 0.020475 -0.070465 0.016386 0.034367 20H 1pz -0.007491 0.008192 -0.000673 0.002113 -0.000029 -0.006809 20H 1px 0.001035 0.001482 0.000382 -0.003450 -0.000421 0.001683 20H 1py 0.000509 -0.007542 -0.001816 0.006566 0.003625 0.000427 21H 1s 0.001059 -0.001333 -0.001934 0.001008 -0.001675 -0.001940 21H 2s -0.002494 0.010218 -0.013303 -0.005862 0.007682 0.012655 21H 3s -0.033756 0.041486 0.030788 -0.033173 0.024134 0.008076 21H 1pz -0.007367 0.003246 0.002556 -0.001700 -0.001018 -0.004922 21H 1px -0.000665 -0.000382 0.003307 -0.003608 -0.001185 0.000243 21H 1py 0.006270 -0.002659 -0.000361 0.004251 0.002707 0.001720 22H 1s 0.005527 -0.004175 0.000699 -0.001265 0.000446 0.002406 22H 2s 0.020213 -0.004571 0.019800 -0.003061 0.020206 0.021485 22H 3s -0.063537 0.048758 -0.017727 0.008025 -0.019359 -0.018910 22H 1pz -0.008308 0.003929 -0.002809 -0.003194 -0.004341 -0.003814 22H 1px 0.001937 -0.001366 0.002444 -0.002035 0.004496 0.002519 22H 1py 0.005427 -0.003168 0.001991 0.006299 0.000764 0.000380 23H 1s -0.000173 0.000233 -0.001928 -0.001852 0.002206 -0.003210 23H 2s 0.008031 0.001995 -0.014045 0.004947 -0.013308 0.009411 23H 3s 0.042485 0.034374 0.025984 0.043518 -0.027251 0.017291 23H 1pz 0.003533 0.008223 -0.001237 0.003263 0.002376 -0.003180 23H 1px -0.001455 -0.001937 0.002218 0.003254 0.001227 0.002959 23H 1py 0.002614 0.006492 0.002854 0.003617 0.002521 -0.003298 24H 1s 0.002700 0.002690 -0.002279 -0.003504 0.002097 -0.006132 24H 2s 0.001493 0.026350 -0.010630 -0.001605 -0.015275 -0.004984 24H 3s 0.017894 0.036080 0.025995 0.064770 -0.023599 0.031923 24H 1pz 0.008960 0.002723 0.000697 0.004862 0.003764 -0.003069 24H 1px -0.001110 -0.004166 0.002565 0.004857 0.001436 0.004406 24H 1py 0.006323 0.004587 -0.002231 0.000656 0.000447 -0.003536 25H 1s -0.004626 -0.006166 0.002444 0.001452 0.000124 0.002129 25H 2s 0.000155 -0.014324 0.023323 0.001263 -0.023147 0.025167 25H 3s 0.041980 0.060909 -0.032315 -0.010873 0.014747 -0.021871 25H 1pz 0.003425 0.006041 -0.003649 0.006502 0.002512 -0.001954 25H 1px -0.002055 -0.004467 0.004317 0.001130 -0.006022 0.004605 25H 1py 0.001720 0.004691 -0.001673 0.004033 0.001030 -0.001383 26O 1s -0.000214 -0.000482 0.000125 0.002025 0.000729 0.000506 26O 2s -0.000232 -0.000392 -0.000823 0.001264 0.001833 -0.000257 26O 3s 0.006687 0.008609 0.030414 -0.030322 -0.045215 0.014911 26O 4s 0.001474 -0.001831 -0.120521 0.137464 0.107172 0.011012 26O 5s -0.102799 -0.035159 -0.279014 -0.144445 0.142855 -0.505662 26O 1pz 0.002934 0.003579 0.000183 -0.002237 -0.005880 0.006207 26O 1px -0.002755 -0.002073 -0.008082 0.005014 0.005317 -0.008518 26O 1py 0.000746 0.001308 -0.002349 0.000209 -0.001454 0.001033 26O 2pz -0.013207 -0.010686 -0.022936 -0.033217 0.066073 -0.038860 26O 2px 0.027953 0.022747 0.079128 -0.093552 -0.025831 0.062556 26O 2py 0.003941 0.000572 0.014489 -0.054939 0.030747 -0.001498 26O 3pz -0.067524 -0.082807 -0.043566 -0.168793 0.160349 -0.152427 26O 3px -0.028001 -0.060862 0.064709 -0.070857 0.058731 0.096035 26O 3py -0.062257 -0.068342 -0.010059 -0.131190 0.127247 -0.062099 26O 1dz2 0.002825 0.005293 -0.007551 -0.011359 0.007427 0.000522 26O 1dxz -0.001536 -0.004713 -0.000476 -0.001104 0.004312 -0.005714 26O 1dyz 0.002972 0.003432 -0.009147 -0.010402 0.007062 -0.002757 26O 1dx2y2 0.001718 -0.003057 0.001581 0.008553 -0.007511 0.000460 26O 1dxy -0.003981 -0.000995 -0.000368 0.004136 -0.001519 -0.003465 26O 2dz2 0.001023 -0.003648 0.018735 -0.008816 -0.000006 -0.000523 26O 2dxz 0.007764 0.014307 -0.003469 -0.007959 -0.009629 0.010376 26O 2dyz -0.004777 -0.004969 0.005152 -0.004573 0.012445 -0.013846 26O 2dx2y2 -0.014820 -0.005181 -0.012975 0.014100 0.013905 -0.013514 26O 2dxy 0.001204 -0.002548 -0.014913 0.004382 0.008314 -0.010439 26O 1f0 0.004835 0.001478 0.002454 0.003411 -0.008375 0.000988 26O 1f+1 -0.003172 -0.000457 -0.005438 0.004005 0.000735 -0.006133 26O 1f-1 0.000063 0.000715 0.008830 0.008928 -0.008604 0.008226 26O 1f+2 -0.003495 -0.002564 -0.002820 -0.005482 0.009715 -0.002584 26O 1f-2 -0.001283 -0.003491 -0.001815 -0.001110 0.005817 0.000590 26O 1f+3 -0.001844 -0.005197 -0.001594 0.001445 0.005151 -0.001581 26O 1f-3 -0.000279 -0.000601 -0.003188 0.006306 -0.004187 -0.006182 27O 1s 0.000497 -0.000382 0.000296 -0.001963 -0.000808 0.000586 27O 2s 0.000397 -0.000371 -0.000633 -0.001208 -0.001915 -0.000184 27O 3s -0.008841 0.009177 0.026313 0.029835 0.046550 0.014066 27O 4s 0.003799 -0.006338 -0.096324 -0.140192 -0.110496 0.008753 27O 5s 0.036969 -0.076452 -0.326947 0.150253 -0.143064 -0.523349 27O 1pz -0.001404 0.002062 0.001507 0.001751 0.004369 0.004342 27O 1px 0.002068 -0.001837 -0.009216 -0.004762 -0.004602 -0.007901 27O 1py 0.002966 -0.002344 0.000231 -0.001067 -0.005127 -0.004068 27O 2pz 0.006198 -0.009179 -0.024747 0.009910 -0.044534 -0.029060 27O 2px -0.025959 0.026336 0.084796 0.104586 0.016903 0.067180 27O 2py -0.003947 0.007906 0.012984 -0.044464 0.059822 0.022919 27O 3pz 0.043400 -0.044319 -0.068743 0.100923 -0.096811 -0.129712 27O 3px 0.066342 -0.045389 0.014886 0.100894 -0.080182 0.046883 27O 3py -0.088171 0.061906 0.076920 -0.174572 0.157942 0.161262 27O 1dz2 0.000510 0.000906 0.001521 0.002796 -0.001944 0.001807 27O 1dxz -0.000843 -0.003862 -0.000493 0.003997 -0.005251 -0.001914 27O 1dyz 0.005994 -0.003263 0.007828 -0.009216 0.004974 0.000455 27O 1dx2y2 0.004874 -0.002977 0.005325 -0.013430 0.009929 -0.000734 27O 1dxy -0.003446 0.000050 0.002338 -0.002564 0.004532 0.004907 27O 2dz2 -0.007342 0.005184 0.010917 0.006245 0.010824 0.012859 27O 2dxz -0.005174 0.013299 0.001392 0.009509 0.008365 0.004619 27O 2dyz -0.010914 0.006597 -0.004523 -0.003938 0.016616 0.016667 27O 2dx2y2 0.003157 -0.006936 -0.023504 -0.016212 -0.009720 -0.010260 27O 2dxy 0.008346 -0.001637 0.007489 -0.004729 -0.000399 0.004247 27O 1f0 -0.004027 0.000544 -0.004290 0.003367 0.000875 -0.005107 27O 1f+1 0.001432 0.000474 -0.003341 -0.004411 0.002398 -0.005411 27O 1f-1 0.002076 0.000516 -0.003733 0.003008 -0.004665 -0.002298 27O 1f+2 0.002889 -0.002626 -0.010161 0.004975 -0.010615 -0.008673 27O 1f-2 -0.000612 -0.000976 0.000750 0.002760 -0.001805 -0.000272 27O 1f+3 0.001687 -0.004469 -0.003717 -0.006274 -0.000944 -0.003675 27O 1f-3 0.002216 -0.003878 -0.003134 0.006798 -0.012000 0.000633 28O 1s -0.000303 -0.000466 -0.000333 0.002005 -0.000847 0.000674 28O 2s -0.000174 -0.000496 0.000564 0.001286 -0.001948 -0.000087 28O 3s 0.003099 0.012670 -0.024171 -0.031998 0.046919 0.011818 28O 4s 0.016536 -0.014168 0.089322 0.147413 -0.111339 0.016715 28O 5s -0.014947 -0.123341 0.302860 -0.140195 -0.116751 -0.517636 28O 1pz 0.001533 0.001074 0.005331 0.001330 0.001729 -0.000775 28O 1px 0.002029 0.004503 -0.007479 -0.005748 0.006277 0.008293 28O 1py 0.002418 0.001572 -0.000606 -0.001367 0.004027 0.002942 28O 2pz -0.001276 0.013463 -0.031144 -0.086650 -0.041612 0.013604 28O 2px -0.013104 -0.038412 0.077647 0.076239 -0.043770 -0.067094 28O 2py -0.006157 -0.005653 0.014977 -0.024138 -0.044816 -0.018311 28O 3pz -0.081732 -0.075682 0.087770 -0.202428 -0.191601 -0.136450 28O 3px 0.034192 -0.007917 0.046616 -0.001777 -0.005687 -0.127391 28O 3py -0.051847 -0.039218 0.063748 -0.123707 -0.113965 -0.128501 28O 1dz2 0.001173 -0.000872 0.002963 -0.005739 -0.006394 -0.003117 28O 1dxz 0.003450 0.004222 0.002894 -0.010041 -0.005476 0.003183 28O 1dyz 0.002256 0.003813 0.008372 -0.009313 -0.007265 -0.002808 28O 1dx2y2 -0.002660 0.001509 -0.001042 0.007513 0.007382 0.000330 28O 1dxy 0.005766 0.001121 0.002981 -0.002865 0.000639 0.002054 28O 2dz2 0.002033 0.004686 0.001139 -0.006903 0.002553 -0.003493 28O 2dxz -0.000985 0.006151 -0.020732 -0.013473 0.004555 0.008689 28O 2dyz -0.002440 -0.006516 -0.003785 -0.006105 -0.011174 -0.014706 28O 2dx2y2 -0.002690 -0.016656 0.011703 0.015110 -0.014153 -0.011594 28O 2dxy -0.013351 -0.004549 -0.003862 0.001936 -0.012584 -0.008614 28O 1f0 -0.002069 -0.002218 0.005259 0.001658 -0.003818 -0.004717 28O 1f+1 0.004263 0.001405 -0.002273 0.006304 0.011217 -0.001039 28O 1f-1 0.000210 -0.001065 -0.005631 0.004369 0.002673 0.006958 28O 1f+2 0.002834 0.001513 -0.001624 -0.007781 -0.002605 0.002906 28O 1f-2 0.000846 0.003273 -0.008150 0.004925 0.009574 0.005363 28O 1f+3 0.000608 0.005073 -0.005519 -0.000675 0.005648 0.005232 28O 1f-3 0.001171 0.002877 0.002154 0.001625 0.004410 -0.003016 29O 1s 0.000750 0.000014 0.002541 -0.000009 -0.000013 0.001574 29O 2s 0.000628 -0.000001 0.002597 -0.000008 -0.000016 0.001645 29O 3s -0.008595 0.000216 -0.046741 -0.000005 0.000523 -0.028326 29O 4s 0.023584 0.001816 0.032843 0.000861 -0.001525 -0.007645 29O 5s -0.095497 -0.014920 0.231858 -0.001621 -0.001222 0.255613 29O 1pz -0.000991 -0.003554 -0.008929 -0.002843 0.002698 -0.007271 29O 1px 0.001176 -0.001398 0.026515 -0.001219 0.001017 0.021466 29O 1py -0.006097 0.000057 0.007687 0.000222 -0.000198 0.006040 29O 2pz 0.004218 0.006309 0.019739 0.013635 -0.012984 0.016289 29O 2px -0.007572 0.001596 -0.061312 0.005748 -0.005439 -0.049421 29O 2py 0.018063 0.001309 -0.038858 -0.001516 0.001763 -0.029695 29O 3pz 0.011102 0.049561 0.013819 0.010759 -0.017339 0.022666 29O 3px -0.014263 0.022493 -0.068894 0.003781 -0.005484 -0.083227 29O 3py 0.045779 -0.003196 -0.068712 -0.000833 0.003671 -0.055105 29O 1dz2 0.000696 -0.007140 0.006810 0.002598 -0.003080 0.005733 29O 1dxz 0.004674 0.012026 0.012202 0.000004 -0.000121 0.010557 29O 1dyz -0.004072 0.006779 0.002946 0.007434 -0.008710 0.002428 29O 1dx2y2 -0.006228 0.005719 -0.020805 0.000992 -0.001006 -0.017640 29O 1dxy 0.012104 0.000771 -0.007250 0.003234 -0.003718 -0.005458 29O 2dz2 -0.004450 0.013849 -0.014881 -0.008124 0.009298 -0.013910 29O 2dxz -0.012583 -0.025041 -0.030213 0.002736 -0.002744 -0.027386 29O 2dyz 0.007304 -0.016509 -0.007036 -0.019581 0.022490 -0.006228 29O 2dx2y2 0.015661 -0.012178 0.056116 -0.001314 0.001173 0.048969 29O 2dxy -0.021092 -0.002176 0.013784 -0.008748 0.009986 0.011354 29O 1f0 -0.000293 -0.001374 -0.007540 -0.001047 0.001259 -0.006682 29O 1f+1 -0.000081 -0.004106 0.003680 0.001187 -0.001419 0.003416 29O 1f-1 0.001562 -0.001204 -0.004895 0.000439 -0.000459 -0.003681 29O 1f+2 0.002322 0.002865 0.008682 -0.002016 0.002171 0.007946 29O 1f-2 -0.002430 0.002899 -0.000981 0.000600 -0.000610 -0.000549 29O 1f+3 0.002063 -0.002271 0.012755 0.000673 -0.000931 0.011312 29O 1f-3 -0.007365 -0.000748 0.004231 -0.000825 0.000929 0.003606 30O 1s 0.000361 -0.000321 -0.000156 -0.002063 0.000749 0.000574 30O 2s 0.000418 -0.000225 0.000762 -0.001322 0.001835 -0.000159 30O 3s -0.011310 0.004712 -0.028215 0.031946 -0.044724 0.012286 30O 4s 0.009735 0.011197 0.113302 -0.143342 0.104384 0.019236 30O 5s 0.143051 -0.038345 0.236102 0.140530 0.119048 -0.478411 30O 1pz -0.000061 0.001461 0.003242 -0.001178 -0.000960 -0.000792 30O 1px -0.004888 0.003099 -0.006359 0.006057 -0.007348 0.009340 30O 1py 0.001108 -0.001812 -0.003745 0.000103 0.002265 -0.001654 30O 2pz -0.010751 0.001184 -0.020500 0.062736 0.025064 0.008123 30O 2px 0.038976 -0.018297 0.072138 -0.063981 0.054361 -0.065198 30O 2py 0.007701 0.002371 0.015168 -0.073233 -0.046478 0.006262 30O 3pz 0.044270 -0.065768 0.008209 0.129341 0.122097 -0.046405 30O 3px 0.017474 0.004967 0.059125 0.033768 0.028436 -0.151174 30O 3py -0.079170 0.072041 -0.051222 -0.198617 -0.192932 0.118271 30O 1dz2 0.000102 -0.003320 -0.001435 -0.000827 0.001333 -0.001536 30O 1dxz -0.000070 0.005839 0.003145 0.008825 0.005871 0.001874 30O 1dyz 0.001103 -0.001186 -0.008686 -0.005637 -0.005151 0.005021 30O 1dx2y2 -0.001611 -0.000035 -0.002818 -0.008126 -0.008743 0.003871 30O 1dxy 0.005661 -0.003747 -0.006474 -0.011681 -0.006029 -0.002933 30O 2dz2 -0.006093 0.010039 -0.003162 0.006260 -0.012004 0.012813 30O 2dxz -0.010719 -0.004932 -0.013215 0.011368 -0.004959 0.003996 30O 2dyz -0.007152 0.003345 -0.000361 -0.000370 -0.012368 0.014173 30O 2dx2y2 0.014083 -0.008337 0.004033 -0.014075 0.010971 -0.008139 30O 2dxy -0.001547 0.002919 0.017453 -0.009073 -0.004014 0.004598 30O 1f0 0.003459 0.000253 0.006842 0.000334 0.003089 -0.008875 30O 1f+1 -0.003570 0.000081 0.001970 -0.000892 -0.003807 -0.002334 30O 1f-1 -0.001601 0.000991 -0.000710 -0.000270 -0.002411 -0.000398 30O 1f+2 -0.004229 0.002304 0.000892 0.004007 -0.002964 -0.001819 30O 1f-2 0.001787 0.000776 0.004447 0.009970 0.010077 -0.000902 30O 1f+3 -0.003471 0.005374 -0.005289 -0.006366 -0.012955 0.003947 30O 1f-3 -0.002761 0.001804 -0.006141 0.003507 -0.002111 0.006365 31O 1s -0.000356 0.000323 0.000142 -0.002060 -0.000757 0.000565 31O 2s -0.000410 0.000227 -0.000779 -0.001315 -0.001841 -0.000168 31O 3s 0.011092 -0.004773 0.028667 0.031772 0.044833 0.012511 31O 4s -0.009274 -0.010897 -0.114617 -0.142909 -0.104898 0.018586 31O 5s -0.137184 0.038232 -0.239768 0.140763 -0.117364 -0.480736 31O 1pz -0.000106 0.001428 0.003241 0.001178 -0.000947 0.000798 31O 1px -0.004808 0.003083 -0.006397 -0.006033 -0.007336 -0.009341 31O 1py 0.001108 -0.001830 -0.003755 -0.000115 0.002275 0.001644 31O 2pz -0.010294 0.001322 -0.020853 -0.062835 0.024854 -0.008406 31O 2px 0.038270 -0.018304 0.072803 0.063773 0.054409 0.065467 31O 2py 0.007330 0.002355 0.015507 0.073427 -0.046323 -0.005963 31O 3pz 0.046328 -0.065224 0.006934 -0.129889 0.121983 0.045112 31O 3px 0.015379 0.005299 0.060885 -0.033773 0.028014 0.152408 31O 3py -0.079731 0.072391 -0.049677 0.199595 -0.192629 -0.117087 31O 1dz2 -0.000062 0.003330 0.001430 -0.000816 -0.001344 -0.001557 31O 1dxz 0.000243 -0.005730 -0.003183 0.008844 -0.005842 0.001820 31O 1dyz -0.001122 0.001159 0.008664 -0.005664 0.005138 0.004995 31O 1dx2y2 0.001615 0.000103 0.002872 -0.008149 0.008704 0.003894 31O 1dxy -0.005592 0.003784 0.006546 -0.011703 0.005988 -0.002915 31O 2dz2 0.006001 -0.010008 0.003243 0.006167 0.012057 0.012878 31O 2dxz 0.010152 0.004641 0.013511 0.011370 0.004987 0.004275 31O 2dyz 0.007028 -0.003308 0.000590 -0.000394 0.012313 0.014306 31O 2dx2y2 -0.014004 0.008191 -0.004201 -0.014078 -0.010979 -0.008245 31O 2dxy 0.001503 -0.002987 -0.017820 -0.009090 0.004019 0.004414 31O 1f0 0.003411 0.000242 0.006882 -0.000346 0.003082 0.008879 31O 1f+1 -0.003582 0.000082 0.001988 0.000906 -0.003803 0.002341 31O 1f-1 -0.001660 0.000962 -0.000719 0.000285 -0.002416 0.000403 31O 1f+2 -0.004210 0.002344 0.000900 -0.004002 -0.002989 0.001807 31O 1f-2 0.001830 0.000748 0.004396 -0.010009 0.010052 0.000853 31O 1f+3 -0.003535 0.005371 -0.005291 0.006416 -0.012946 -0.003939 31O 1f-3 -0.002768 0.001801 -0.006182 -0.003497 -0.002121 -0.006367 32O 1s -0.000757 -0.000011 -0.002536 -0.000010 0.000011 0.001580 32O 2s -0.000635 0.000008 -0.002593 -0.000010 0.000013 0.001652 32O 3s 0.008746 -0.000451 0.046701 0.000044 -0.000446 -0.028481 32O 4s -0.023964 -0.001168 -0.032927 0.000784 0.001473 -0.007473 32O 5s 0.095653 0.015748 -0.231738 -0.001735 0.000541 0.256552 32O 1pz -0.000982 -0.003588 -0.008988 0.002810 0.002677 0.007351 32O 1px 0.001183 -0.001356 0.026426 0.001169 0.001000 -0.021507 32O 1py -0.006113 0.000013 0.007702 -0.000181 -0.000157 -0.006087 32O 2pz 0.003912 0.006382 0.020374 -0.013452 -0.012886 -0.016857 32O 2px -0.007648 0.001219 -0.060911 -0.005522 -0.005288 0.049370 32O 2py 0.018058 0.001707 -0.038959 0.001229 0.001438 0.029929 32O 3pz 0.011972 0.049732 0.014423 -0.010586 -0.017221 -0.023210 32O 3px -0.014120 0.022498 -0.068403 -0.003724 -0.005406 0.083154 32O 3py 0.045781 -0.002005 -0.068867 0.000654 0.003175 0.055507 32O 1dz2 -0.000569 0.007341 -0.006785 0.002553 0.003049 0.005752 32O 1dxz -0.004898 -0.012065 -0.012132 -0.000021 0.000084 0.010531 32O 1dyz 0.003853 -0.006838 -0.002800 0.007413 0.008737 0.002324 32O 1dx2y2 0.006172 -0.005581 0.020748 0.000929 0.000949 -0.017690 32O 1dxy -0.012213 -0.000880 0.007302 0.003174 0.003689 -0.005538 32O 2dz2 0.004148 -0.014228 0.014790 -0.007838 -0.009059 -0.013925 32O 2dxz 0.013097 0.025212 0.029958 0.002804 0.002848 -0.027262 32O 2dyz -0.006730 0.016668 0.006499 -0.019516 -0.022548 -0.005852 32O 2dx2y2 -0.015521 0.011819 -0.056018 -0.001074 -0.000936 0.049148 32O 2dxy 0.021374 0.002274 -0.013981 -0.008494 -0.009783 0.011585 32O 1f0 -0.000464 -0.001297 -0.007222 0.001086 0.001298 0.006462 32O 1f+1 -0.000146 -0.004219 0.003889 -0.001204 -0.001446 -0.003605 32O 1f-1 0.001521 -0.001141 -0.004984 -0.000418 -0.000454 0.003763 32O 1f+2 0.002227 0.002833 0.008870 0.002030 0.002211 -0.008118 32O 1f-2 -0.002313 0.003005 -0.001045 -0.000614 -0.000634 0.000607 32O 1f+3 0.002134 -0.002231 0.012644 -0.000591 -0.000831 -0.011281 32O 1f-3 -0.007465 -0.000768 0.004278 0.000786 0.000904 -0.003673 33O 1s 0.000307 0.000461 0.000326 0.002002 0.000857 0.000668 33O 2s 0.000179 0.000491 -0.000574 0.001280 0.001956 -0.000091 33O 3s -0.003134 -0.012504 0.024392 -0.031877 -0.047066 0.011895 33O 4s -0.016865 0.013101 -0.089952 0.147225 0.111895 0.016536 33O 5s 0.014947 0.124367 -0.303411 -0.140297 0.115008 -0.517555 33O 1pz 0.001574 0.001103 0.005312 -0.001346 0.001752 0.000757 33O 1px 0.002167 0.004585 -0.007474 0.005749 0.006285 -0.008267 33O 1py 0.002514 0.001625 -0.000570 0.001343 0.004016 -0.002917 33O 2pz -0.001652 0.013088 -0.031112 0.086804 -0.041480 -0.013678 33O 2px -0.013321 -0.038460 0.077847 -0.076317 -0.043911 0.067064 33O 2py -0.006514 -0.005849 0.014838 0.024384 -0.044671 0.018113 33O 3pz -0.081492 -0.076140 0.087803 0.203162 -0.191244 0.136127 33O 3px 0.034603 -0.007764 0.047305 0.001656 -0.005272 0.127830 33O 3py -0.052090 -0.039167 0.063596 0.124419 -0.113981 0.128358 33O 1dz2 -0.001123 0.000903 -0.002948 -0.005747 0.006382 -0.003092 33O 1dxz -0.003529 -0.004319 -0.002923 -0.010040 0.005420 0.003186 33O 1dyz -0.002224 -0.003816 -0.008394 -0.009334 0.007232 -0.002781 33O 1dx2y2 0.002742 -0.001497 0.001098 0.007540 -0.007344 0.000325 33O 1dxy -0.005868 -0.001130 -0.003021 -0.002857 -0.000661 0.002074 33O 2dz2 -0.002178 -0.004837 -0.001177 -0.006984 -0.002612 -0.003491 33O 2dxz 0.001343 -0.005780 0.020871 -0.013514 -0.004508 0.008745 33O 2dyz 0.002420 0.006607 0.003737 -0.006119 0.011149 -0.014760 33O 2dx2y2 0.002477 0.016616 -0.011881 0.015127 0.014169 -0.011639 33O 2dxy 0.013678 0.004608 0.004021 0.001829 0.012628 -0.008603 33O 1f0 -0.002034 -0.002204 0.005274 -0.001674 -0.003791 0.004722 33O 1f+1 0.004201 0.001368 -0.002290 -0.006328 0.011214 0.001035 33O 1f-1 0.000277 -0.001029 -0.005645 -0.004362 0.002640 -0.006932 33O 1f+2 0.002838 0.001501 -0.001638 0.007782 -0.002556 -0.002924 33O 1f-2 0.000769 0.003199 -0.008153 -0.004962 0.009568 -0.005334 33O 1f+3 0.000573 0.005079 -0.005550 0.000673 0.005662 -0.005231 33O 1f-3 0.001147 0.002848 0.002180 -0.001647 0.004397 0.003021 34O 1s -0.000504 0.000381 -0.000285 -0.001963 0.000801 0.000581 34O 2s -0.000403 0.000370 0.000645 -0.001213 0.001911 -0.000191 34O 3s 0.008889 -0.009124 -0.026515 0.029965 -0.046447 0.014288 34O 4s -0.003753 0.006087 0.097050 -0.140499 0.110061 0.007969 34O 5s -0.033850 0.076565 0.324944 0.149054 0.143547 -0.525345 34O 1pz -0.001441 0.002082 0.001512 -0.001765 0.004347 -0.004355 34O 1px 0.002068 -0.001857 -0.009173 0.004787 -0.004573 0.007920 34O 1py 0.003045 -0.002359 0.000212 0.001069 -0.005126 0.004057 34O 2pz 0.006365 -0.009228 -0.024793 -0.009742 -0.044517 0.029166 34O 2px -0.025526 0.026313 0.084571 -0.104734 0.016487 -0.067653 34O 2py -0.004365 0.007960 0.013115 0.044330 0.059983 -0.022818 34O 3pz 0.042223 -0.045065 -0.068330 -0.100325 -0.097198 0.129853 34O 3px 0.067338 -0.045790 0.015536 -0.100574 -0.080514 -0.048054 34O 3py -0.088767 0.061729 0.075404 0.173688 0.158532 -0.161094 34O 1dz2 -0.000582 -0.001009 -0.001537 0.002797 0.001962 0.001802 34O 1dxz 0.000913 0.003920 0.000508 0.003990 0.005271 -0.001922 34O 1dyz -0.005973 0.003294 -0.007846 -0.009208 -0.005021 0.000472 34O 1dx2y2 -0.004971 0.002984 -0.005389 -0.013387 -0.009978 -0.000719 34O 1dxy 0.003586 -0.000016 -0.002304 -0.002542 -0.004536 0.004899 34O 2dz2 0.007397 -0.004936 -0.010864 0.006268 -0.010820 0.012967 34O 2dxz 0.004971 -0.013494 -0.001440 0.009517 -0.008336 0.004662 34O 2dyz 0.010932 -0.006666 0.004605 -0.003841 -0.016591 0.016648 34O 2dx2y2 -0.002821 0.006850 0.023636 -0.016260 0.009661 -0.010425 34O 2dxy -0.008809 0.001557 -0.007572 -0.004727 0.000362 0.004366 34O 1f0 -0.004014 0.000539 -0.004286 -0.003367 0.000859 0.005114 34O 1f+1 0.001467 0.000502 -0.003331 0.004404 0.002422 0.005425 34O 1f-1 0.002113 0.000559 -0.003712 -0.002996 -0.004687 0.002299 34O 1f+2 0.002843 -0.002632 -0.010156 -0.004936 -0.010635 0.008699 34O 1f-2 -0.000586 -0.000976 0.000745 -0.002760 -0.001819 0.000264 34O 1f+3 0.001651 -0.004465 -0.003713 0.006279 -0.000920 0.003696 34O 1f-3 0.002193 -0.003849 -0.003123 -0.006749 -0.012027 -0.000645 35O 1s 0.000215 0.000484 -0.000115 0.002030 -0.000721 0.000501 35O 2s 0.000232 0.000393 0.000834 0.001272 -0.001827 -0.000267 35O 3s -0.006685 -0.008658 -0.030702 -0.030511 0.045063 0.015222 35O 4s -0.000705 0.002308 0.121720 0.137833 -0.106613 0.010021 35O 5s 0.096415 0.032558 0.280439 -0.143993 -0.143217 -0.508945 35O 1pz 0.002837 0.003499 0.000184 0.002267 -0.005852 -0.006220 35O 1px -0.002618 -0.001991 -0.008066 -0.005026 0.005286 0.008578 35O 1py 0.000738 0.001338 -0.002420 -0.000213 -0.001453 -0.000997 35O 2pz -0.012922 -0.010495 -0.022849 0.033004 0.066152 0.038933 35O 2px 0.027288 0.022487 0.079619 0.093633 -0.025367 -0.063346 35O 2py 0.003901 0.000479 0.015005 0.054981 0.030985 0.001194 35O 3pz -0.067093 -0.082401 -0.042488 0.167805 0.161008 0.152288 35O 3px -0.029854 -0.061341 0.066323 0.070523 0.059004 -0.097571 35O 3py -0.062179 -0.068407 -0.008685 0.130715 0.127934 0.061521 35O 1dz2 -0.002814 -0.005216 0.007585 -0.011348 -0.007490 0.000470 35O 1dxz 0.001490 0.004677 0.000424 -0.001079 -0.004335 -0.005698 35O 1dyz -0.002940 -0.003454 0.009170 -0.010420 -0.007115 -0.002777 35O 1dx2y2 -0.001688 0.003047 -0.001641 0.008540 0.007536 0.000525 35O 1dxy 0.003889 0.000975 0.000280 0.004135 0.001535 -0.003458 35O 2dz2 -0.001073 0.003422 -0.018984 -0.008780 0.000016 -0.000265 35O 2dxz -0.007619 -0.014192 0.003626 -0.008013 0.009670 0.010307 35O 2dyz 0.004608 0.004961 -0.005242 -0.004455 -0.012427 -0.013875 35O 2dx2y2 0.014602 0.005188 0.013224 0.014123 -0.013788 -0.013819 35O 2dxy -0.001013 0.002638 0.015303 0.004454 -0.008269 -0.010657 35O 1f0 0.004891 0.001540 0.002433 -0.003381 -0.008403 -0.000978 35O 1f+1 -0.003163 -0.000467 -0.005449 -0.004017 0.000694 0.006179 35O 1f-1 0.000089 0.000715 0.008805 -0.008936 -0.008661 -0.008252 35O 1f+2 -0.003549 -0.002592 -0.002815 0.005453 0.009736 0.002602 35O 1f-2 -0.001394 -0.003545 -0.001819 0.001079 0.005823 -0.000597 35O 1f+3 -0.001847 -0.005206 -0.001589 -0.001455 0.005144 0.001598 35O 1f-3 -0.000222 -0.000581 -0.003221 -0.006301 -0.004209 0.006223 750 751 752 753 754 755 22.34143 22.34652 22.34811 22.35015 23.30581 23.32069 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s -0.000149 0.000357 -0.000821 -0.000151 -0.001368 -0.000180 0Rh 2s -0.000613 0.001417 -0.003365 -0.000584 -0.006254 -0.000727 0Rh 3s -0.001311 0.003119 -0.007219 -0.001309 -0.012391 -0.001582 0Rh 4s 0.001335 -0.002742 0.007228 0.001042 0.016618 0.001395 0Rh 5s 0.000975 -0.004812 0.006082 0.002639 -0.008794 0.002750 0Rh 6s -0.000150 0.008695 -0.003111 -0.005621 0.033214 -0.005701 0Rh 7s -0.033627 -0.035407 -0.150431 0.037246 -0.233705 0.019667 0Rh 8s 0.008693 -0.058927 0.025434 0.014881 -0.060226 0.009292 0Rh 1pz -0.000016 -0.000326 -0.000304 0.000488 -0.000387 0.000591 0Rh 1px 0.000095 -0.000240 0.000451 -0.000003 0.000961 0.000268 0Rh 1py 0.000148 0.000449 0.000122 0.000442 0.000180 -0.000439 0Rh 2pz 0.000077 0.001519 0.001409 -0.002260 0.001795 -0.002850 0Rh 2px -0.000448 0.001117 -0.002124 0.000015 -0.004475 -0.001292 0Rh 2py -0.000682 -0.002081 -0.000575 -0.002055 -0.000843 0.002115 0Rh 3pz -0.000468 -0.007845 -0.007124 0.011310 -0.008921 0.016603 0Rh 3px 0.002405 -0.005732 0.011410 -0.000111 0.022579 0.007519 0Rh 3py 0.003286 0.010408 0.003066 0.010451 0.004347 -0.012331 0Rh 4pz 0.001325 0.018627 0.016492 -0.025751 0.019457 -0.041586 0Rh 4px -0.005940 0.013492 -0.028202 0.000325 -0.050053 -0.018786 0Rh 4py -0.007180 -0.023663 -0.007518 -0.024337 -0.009910 0.030921 0Rh 5pz -0.002467 -0.027393 -0.023783 0.036286 -0.024324 0.051562 0Rh 5px 0.009489 -0.019548 0.044124 -0.000747 0.063711 0.022808 0Rh 5py 0.009417 0.033262 0.011453 0.035010 0.012526 -0.038525 0Rh 6pz 0.020564 0.024143 -0.039127 -0.065342 0.043292 0.045560 0Rh 6px -0.033719 0.043723 -0.115001 0.001410 -0.176992 0.030437 0Rh 6py 0.068330 -0.068392 -0.020940 -0.045079 -0.009290 -0.023137 0Rh 1dz2 -0.001585 0.001309 -0.000247 -0.000509 -0.001096 -0.001995 0Rh 1dxz -0.000126 -0.002262 -0.000254 0.001675 -0.001605 0.003229 0Rh 1dyz -0.001894 -0.000813 0.000333 0.000392 -0.000261 0.001460 0Rh 1dx2y2 -0.000558 -0.001173 0.000673 -0.000429 0.002357 0.002160 0Rh 1dxy -0.001101 0.001519 0.000810 0.002853 0.000576 -0.002323 0Rh 2dz2 0.004427 -0.003612 0.000673 0.001386 0.003117 0.005505 0Rh 2dxz 0.000341 0.006247 0.000693 -0.004620 0.004563 -0.008926 0Rh 2dyz 0.005381 0.002238 -0.000953 -0.001127 0.000742 -0.004030 0Rh 2dx2y2 0.001556 0.003230 -0.001864 0.001174 -0.006700 -0.005959 0Rh 2dxy 0.003104 -0.004194 -0.002252 -0.007890 -0.001647 0.006418 0Rh 3dz2 -0.007416 0.005818 -0.001028 -0.002109 -0.005482 -0.008560 0Rh 3dxz -0.000508 -0.010074 -0.001071 0.007404 -0.007997 0.013951 0Rh 3dyz -0.009473 -0.003560 0.001716 0.002081 -0.001296 0.006249 0Rh 3dx2y2 -0.002596 -0.005155 0.003022 -0.001843 0.011751 0.009247 0Rh 3dxy -0.005345 0.006758 0.003703 0.012792 0.002969 -0.010011 0Rh 4dz2 0.011439 -0.008019 0.001107 0.002044 0.010524 0.009934 0Rh 4dxz 0.000521 0.013954 0.001174 -0.009897 0.015141 -0.016566 0Rh 4dyz 0.016170 0.004518 -0.003161 -0.004678 0.002438 -0.007058 0Rh 4dx2y2 0.004028 0.006743 -0.004101 0.002239 -0.022337 -0.010545 0Rh 4dxy 0.008777 -0.009295 -0.005352 -0.018160 -0.006268 0.011840 0Rh 5dz2 -0.015501 0.011081 -0.002062 0.009233 -0.027780 -0.012194 0Rh 5dxz -0.001155 -0.020116 -0.001378 0.010665 -0.039645 0.023039 0Rh 5dyz -0.017516 0.000347 0.005638 0.030656 -0.006360 0.007466 0Rh 5dx2y2 -0.005414 -0.003871 0.007057 -0.000896 0.058512 0.010969 0Rh 5dxy -0.011715 0.013319 0.007962 0.031208 0.017994 -0.017080 0Rh 1f0 -0.000303 -0.000187 0.000405 -0.000393 0.000277 -0.002927 0Rh 1f+1 0.000685 -0.000096 -0.000338 -0.000760 -0.000071 0.001526 0Rh 1f-1 -0.000577 0.000350 -0.000042 -0.000388 0.000141 0.001268 0Rh 1f+2 -0.000425 -0.000405 -0.000046 0.000440 0.000011 -0.005963 0Rh 1f-2 0.001723 -0.000449 -0.000458 -0.000756 0.000147 -0.003508 0Rh 1f+3 -0.000176 0.000561 -0.000363 0.000120 -0.000245 0.004350 0Rh 1f-3 -0.000958 -0.000601 -0.000056 -0.000005 -0.000024 -0.001764 1Rh 1s -0.000154 -0.000279 -0.000825 0.000286 -0.001373 0.000184 1Rh 2s -0.000633 -0.001095 -0.003382 0.001139 -0.006276 0.000744 1Rh 3s -0.001354 -0.002428 -0.007256 0.002499 -0.012440 0.001613 1Rh 4s 0.001372 0.002053 0.007261 -0.002235 0.016662 -0.001447 1Rh 5s 0.001045 0.004216 0.006140 -0.003633 -0.008714 -0.002676 1Rh 6s -0.000281 -0.008351 -0.003232 0.006109 0.033050 0.005478 1Rh 7s -0.033199 0.049102 -0.149326 -0.012430 -0.233220 -0.018447 1Rh 8s 0.009010 0.056726 0.029090 -0.019380 -0.060322 -0.009074 1Rh 1pz -0.000005 -0.000355 0.000353 0.000428 0.000393 0.000590 1Rh 1px -0.000095 -0.000196 -0.000463 0.000073 -0.000960 0.000271 1Rh 1py -0.000176 0.000451 -0.000010 0.000442 -0.000175 -0.000437 1Rh 2pz 0.000018 0.001652 -0.001637 -0.001984 -0.001823 -0.002842 1Rh 2px 0.000447 0.000912 0.002180 -0.000342 0.004469 -0.001307 1Rh 2py 0.000809 -0.002091 0.000053 -0.002056 0.000817 0.002108 1Rh 3pz 0.000001 -0.008519 0.008243 0.009925 0.009095 0.016564 1Rh 3px -0.002397 -0.004631 -0.011701 0.001807 -0.022541 0.007599 1Rh 3py -0.003931 0.010477 -0.000410 0.010496 -0.004191 -0.012293 1Rh 4pz -0.000286 0.020186 -0.018963 -0.022578 -0.019909 -0.041502 1Rh 4px 0.005916 0.010777 0.028885 -0.004411 0.049952 -0.018973 1Rh 4py 0.008681 -0.023876 0.001346 -0.024546 0.009514 0.030835 1Rh 5pz 0.001037 -0.029642 0.027146 0.031779 0.024884 0.051452 1Rh 5px -0.009441 -0.015305 -0.045112 0.006632 -0.063562 0.023085 1Rh 5py -0.011578 0.033658 -0.002582 0.035488 -0.012046 -0.038426 1Rh 6pz -0.016342 0.021630 0.028443 -0.073563 -0.042479 0.045488 1Rh 6px 0.033836 0.033263 0.116691 -0.017294 0.176660 0.029038 1Rh 6py -0.065015 -0.071692 0.007753 -0.052347 0.010369 -0.022433 1Rh 1dz2 -0.001596 -0.001320 -0.000279 0.000514 -0.001076 0.002002 1Rh 1dxz -0.000090 0.002283 -0.000324 -0.001617 -0.001645 -0.003222 1Rh 1dyz -0.001910 0.000747 0.000334 -0.000554 -0.000255 -0.001457 1Rh 1dx2y2 -0.000603 0.001095 0.000844 0.000283 0.002365 -0.002163 1Rh 1dxy -0.000933 -0.001587 0.000146 -0.002982 0.000530 0.002319 1Rh 2dz2 0.004456 0.003644 0.000764 -0.001393 0.003063 -0.005525 1Rh 2dxz 0.000241 -0.006304 0.000887 0.004460 0.004674 0.008907 1Rh 2dyz 0.005422 -0.002049 -0.000945 0.001584 0.000725 0.004021 1Rh 2dx2y2 0.001679 -0.003014 -0.002333 -0.000771 -0.006722 0.005968 1Rh 2dxy 0.002640 0.004384 -0.000415 0.008252 -0.001520 -0.006408 1Rh 3dz2 -0.007458 -0.005880 -0.001199 0.002099 -0.005398 0.008592 1Rh 3dxz -0.000348 0.010162 -0.001376 -0.007154 -0.008170 -0.013917 1Rh 3dyz -0.009530 0.003225 0.001646 -0.002881 -0.001270 -0.006235 1Rh 3dx2y2 -0.002790 0.004806 0.003765 0.001186 0.011787 -0.009264 1Rh 3dxy -0.004596 -0.007077 0.000725 -0.013403 0.002769 0.009993 1Rh 4dz2 0.011468 0.008153 0.001500 -0.001939 0.010437 -0.009984 1Rh 4dxz 0.000318 -0.014047 0.001539 0.009604 0.015341 0.016502 1Rh 4dyz 0.016193 -0.003940 -0.002698 0.006034 0.002411 0.007041 1Rh 4dx2y2 0.004281 -0.006267 -0.005041 -0.001328 -0.022391 0.010593 1Rh 4dxy 0.007731 0.009781 -0.001146 0.019106 -0.006028 -0.011800 1Rh 5dz2 -0.015178 -0.011124 -0.004587 -0.008960 -0.027691 0.012281 1Rh 5dxz -0.001051 0.020186 -0.001251 -0.010358 -0.039912 -0.022859 1Rh 5dyz -0.016851 -0.000933 0.000373 -0.032042 -0.006392 -0.007487 1Rh 5dx2y2 -0.005661 0.003148 0.007431 -0.000477 0.058579 -0.011170 1Rh 5dxy -0.010160 -0.013983 0.001005 -0.032479 0.017655 0.016939 1Rh 1f0 0.000342 -0.000139 -0.000498 -0.000300 -0.000256 -0.002922 1Rh 1f+1 -0.000635 -0.000134 0.000179 -0.000836 0.000104 0.001524 1Rh 1f-1 0.000595 0.000360 0.000009 -0.000372 -0.000052 0.001271 1Rh 1f+2 0.000415 -0.000403 0.000070 0.000451 -0.000063 -0.005953 1Rh 1f-2 -0.001689 -0.000515 0.000277 -0.000902 -0.000113 -0.003509 1Rh 1f+3 0.000164 0.000530 0.000422 0.000058 0.000252 0.004352 1Rh 1f-3 0.000972 -0.000586 0.000017 0.000034 0.000047 -0.001753 2C 1s -0.569767 -0.406411 0.872728 0.828570 -0.028555 -0.011811 2C 2s 0.722295 0.515291 -1.106612 -1.050663 0.036202 0.014867 2C 3s -0.646537 -0.455881 0.974718 0.920854 -0.080508 -0.035949 2C 4s 0.265332 0.150681 -0.297690 -0.264352 0.677949 0.330920 2C 5s -0.799256 -0.631928 1.391418 1.229953 -0.514452 -0.223311 2C 1pz -0.019873 -0.013119 0.028109 0.026439 0.004620 0.002508 2C 1px -0.004482 -0.002864 0.006649 0.006269 0.004475 0.002284 2C 1py -0.012762 -0.009165 0.018057 0.016871 0.002911 0.001407 2C 2pz 0.032061 -0.002005 0.020765 0.023162 0.379541 0.189889 2C 2px 0.018226 0.010941 -0.016317 -0.012752 0.029465 0.016313 2C 2py 0.019280 -0.001215 0.018269 0.018689 0.253836 0.119674 2C 3pz -0.046600 -0.054693 0.107240 0.084166 -0.123540 -0.078133 2C 3px -0.002200 -0.005227 0.007883 0.004466 -0.073964 -0.048693 2C 3py -0.038982 -0.022312 0.082026 0.069592 -0.071864 -0.003221 2C 1dz2 -0.000829 0.000058 0.002970 0.003048 0.000687 0.002547 2C 1dxz 0.002299 0.001562 -0.002362 -0.001983 -0.001049 -0.000222 2C 1dyz -0.003757 -0.004160 0.008105 0.007885 0.004488 0.001242 2C 1dx2y2 -0.001879 -0.000203 0.001479 0.001885 0.003104 0.002604 2C 1dxy -0.001527 -0.000870 0.002728 0.003028 0.003341 0.003022 2C 2dz2 0.022294 0.005883 -0.018816 -0.017346 0.054182 0.019716 2C 2dxz -0.007684 -0.009175 0.018625 0.017132 0.063116 0.028258 2C 2dyz 0.042915 0.026398 -0.043212 -0.038338 0.045535 0.025604 2C 2dx2y2 0.006365 0.004849 -0.016481 -0.016830 -0.065080 -0.036917 2C 2dxy 0.008704 0.005221 -0.010540 -0.008880 -0.000852 -0.001515 2C 1f0 -0.012414 -0.009708 0.020258 0.019281 -0.008856 -0.004345 2C 1f+1 -0.004373 -0.003700 0.008890 0.008248 -0.015305 -0.006687 2C 1f-1 -0.012122 -0.009646 0.021616 0.022040 -0.041577 -0.020335 2C 1f+2 0.032172 0.023498 -0.051616 -0.049601 0.023649 0.011515 2C 1f-2 -0.037737 -0.027221 0.058924 0.056399 -0.009988 -0.005065 2C 1f+3 0.034890 0.024634 -0.053085 -0.050408 -0.009130 -0.004868 2C 1f-3 0.006021 0.004261 -0.008045 -0.007771 -0.009635 -0.004271 3C 1s 0.832381 -0.933024 0.475181 -0.385224 -0.030109 -0.040311 3C 2s -1.055182 1.182925 -0.602512 0.488508 0.038246 0.051304 3C 3s 0.938760 -1.036851 0.527191 -0.431528 -0.082539 -0.114684 3C 4s -0.347586 0.297904 -0.137385 0.138770 0.680799 0.925180 3C 5s 1.204439 -1.368644 0.793908 -0.605134 -0.523268 -0.784261 3C 1pz 0.015463 -0.016173 0.008053 -0.007448 0.000653 0.001050 3C 1px 0.010766 -0.011487 0.005862 -0.004927 0.003818 0.005697 3C 1py -0.028487 0.030118 -0.014948 0.012343 -0.005645 -0.008023 3C 2pz 0.003193 -0.032466 0.025272 -0.006970 0.248233 0.330373 3C 2px -0.015367 0.001800 0.003917 0.000531 0.115954 0.147281 3C 2py 0.026687 0.020914 -0.024255 0.000053 -0.366401 -0.478489 3C 3pz 0.063964 -0.078313 0.050305 -0.020443 -0.034649 -0.079403 3C 3px 0.023709 -0.031376 0.024642 -0.014050 -0.075416 -0.106658 3C 3py -0.072069 0.087966 -0.062169 0.049750 0.139450 0.196286 3C 1dz2 -0.002249 0.003240 -0.001368 -0.000240 -0.003488 -0.003359 3C 1dxz -0.001051 0.000526 0.000158 -0.000227 -0.001152 -0.000649 3C 1dyz -0.007612 0.009933 -0.005392 0.004311 -0.004953 -0.006993 3C 1dx2y2 0.001031 0.000183 -0.000592 -0.000714 0.001822 0.001942 3C 1dxy -0.000899 0.002216 -0.001336 0.000874 -0.001437 -0.002711 3C 2dz2 0.017777 -0.017096 0.007797 -0.002433 0.005022 0.004063 3C 2dxz 0.004840 -0.012508 0.007911 -0.001620 0.052993 0.068135 3C 2dyz 0.056191 -0.047225 0.021455 -0.025689 -0.023085 -0.026486 3C 2dx2y2 0.010527 -0.001213 -0.001702 -0.000698 -0.081606 -0.107964 3C 2dxy 0.012472 -0.005468 -0.000063 -0.002889 -0.053580 -0.068342 3C 1f0 0.023076 -0.024181 0.012611 -0.010161 0.023697 0.031137 3C 1f+1 0.012474 -0.014213 0.007552 -0.005710 -0.003854 -0.004844 3C 1f-1 0.031962 -0.035474 0.018206 -0.015301 0.008142 0.010765 3C 1f+2 -0.066666 0.077385 -0.039070 0.031256 0.024788 0.032064 3C 1f-2 -0.049438 0.057626 -0.029707 0.023336 0.024638 0.031707 3C 1f+3 0.008905 -0.012294 0.006790 -0.004574 -0.027013 -0.035056 3C 1f-3 0.006606 -0.006076 0.002777 -0.002711 0.018107 0.023464 4C 1s -0.029618 -0.019182 0.036358 0.031952 0.703985 0.344027 4C 2s 0.039876 0.025951 -0.049565 -0.043808 -0.941803 -0.460445 4C 3s -0.048578 -0.028540 0.068603 0.085772 0.929589 0.460756 4C 4s -0.103492 -0.102069 0.178029 0.030851 0.136469 0.030313 4C 5s 0.411620 0.230962 -0.538668 -0.547297 0.609208 0.341596 4C 1pz 0.020048 0.016418 -0.033199 -0.031859 0.002195 0.004327 4C 1px 0.002978 0.002239 -0.004969 -0.005815 0.000012 0.001856 4C 1py 0.012627 0.009707 -0.022124 -0.021690 0.002320 -0.004339 4C 2pz -0.140980 -0.139575 0.282652 0.241364 0.848918 0.394084 4C 2px 0.023229 0.026677 -0.020452 0.016590 0.130496 0.060580 4C 2py -0.075802 -0.072546 0.167431 0.155979 0.558114 0.291891 4C 3pz -0.005706 -0.064681 0.181377 0.107894 -0.238374 -0.046123 4C 3px 0.078632 0.046772 -0.079186 -0.085781 -0.046776 0.002944 4C 3py 0.025149 -0.067356 0.088842 0.029488 -0.169976 -0.106170 4C 1dz2 0.001900 0.000122 0.000369 -0.000286 -0.022694 -0.011314 4C 1dxz 0.007194 0.004390 -0.006695 -0.005207 -0.077589 -0.036919 4C 1dyz 0.000206 -0.000621 0.001541 0.001050 0.063094 0.030432 4C 1dx2y2 -0.007214 -0.004333 0.006146 0.004876 0.128888 0.060681 4C 1dxy -0.001671 -0.000877 0.000634 0.000967 0.074331 0.035438 4C 2dz2 0.081568 0.066354 -0.163161 -0.152535 -0.248268 -0.126687 4C 2dxz 0.069991 0.069463 -0.140930 -0.106774 -0.277142 -0.136526 4C 2dyz 0.079527 0.066458 -0.157064 -0.153581 -0.177006 -0.084236 4C 2dx2y2 -0.092182 -0.082418 0.180552 0.149942 0.371398 0.182264 4C 2dxy -0.009710 -0.004832 0.020089 0.016850 0.086374 0.044774 4C 1f0 -0.003665 -0.001159 0.005363 0.007684 -0.046558 -0.021659 4C 1f+1 -0.006282 -0.003098 0.009959 0.013173 -0.107648 -0.050662 4C 1f-1 -0.039686 -0.029905 0.065496 0.061994 0.003745 0.002128 4C 1f+2 0.014127 0.009436 -0.023211 -0.026740 0.082623 0.039435 4C 1f-2 -0.013290 -0.009656 0.021670 0.021691 0.001861 0.000597 4C 1f+3 -0.009253 -0.007922 0.015708 0.012743 0.014044 0.007100 4C 1f-3 -0.000759 0.000129 -0.000417 0.001552 -0.094297 -0.046458 5C 1s 0.041879 -0.038192 0.018513 -0.017848 0.707425 0.930832 5C 2s -0.056484 0.052157 -0.025346 0.024182 -0.946395 -1.245799 5C 3s 0.069523 -0.095516 0.034483 -0.031295 0.934327 1.257744 5C 4s 0.166246 -0.052524 0.116588 -0.077572 0.136756 0.019735 5C 5s -0.554485 0.592815 -0.259509 0.226776 0.621394 0.993091 5C 1pz -0.017754 0.021882 -0.011384 0.007836 0.002838 0.005616 5C 1px -0.010049 0.012459 -0.006295 0.006276 0.001531 0.002741 5C 1py 0.029852 -0.035666 0.018413 -0.015075 -0.001797 -0.000922 5C 2pz 0.145126 -0.181270 0.109179 -0.060591 0.502478 0.639457 5C 2px 0.033993 -0.052930 0.030939 -0.065622 0.311719 0.387981 5C 2py -0.219281 0.273598 -0.164577 0.110209 -0.838629 -1.083499 5C 3pz 0.051065 -0.083554 0.098435 -0.085520 -0.151723 -0.150427 5C 3px -0.063711 0.050832 0.001071 0.016728 -0.094542 -0.103497 5C 3py -0.037179 0.099694 -0.133795 0.049622 0.233559 0.279937 5C 1dz2 -0.004862 0.003318 -0.001624 0.002498 -0.091992 -0.117511 5C 1dxz -0.007525 0.004985 -0.001935 0.002313 -0.075219 -0.096117 5C 1dyz -0.003657 0.003526 -0.002215 0.001458 -0.090869 -0.115692 5C 1dx2y2 0.007344 -0.004104 0.000682 -0.002993 0.102153 0.129897 5C 1dxy 0.004902 -0.003654 0.001582 -0.000895 0.011911 0.015335 5C 2dz2 -0.029677 0.025139 -0.022019 0.021201 -0.131670 -0.170952 5C 2dxz -0.115408 0.136679 -0.085261 0.051378 -0.268924 -0.352297 5C 2dyz 0.086457 -0.121192 0.061211 -0.050931 0.077128 0.097339 5C 2dx2y2 0.191542 -0.226789 0.141045 -0.104235 0.419711 0.541684 5C 2dxy 0.110487 -0.138865 0.081844 -0.041270 0.208150 0.274494 5C 1f0 -0.040554 0.046178 -0.025580 0.018005 -0.054281 -0.070099 5C 1f+1 -0.004727 0.003546 -0.003482 0.003531 -0.075954 -0.096518 5C 1f-1 -0.006735 0.007864 -0.004252 0.003353 0.004252 0.005022 5C 1f+2 -0.036409 0.043327 -0.022294 0.018529 -0.001891 -0.003411 5C 1f-2 -0.026450 0.033978 -0.015949 0.014501 0.069508 0.088588 5C 1f+3 0.029714 -0.037357 0.017599 -0.012180 -0.078677 -0.100109 5C 1f-3 -0.009025 0.014171 -0.005191 0.003893 0.101026 0.128995 6C 1s 0.040190 0.036798 0.025147 0.015980 0.708066 -0.933988 6C 2s -0.054202 -0.050241 -0.034362 -0.021594 -0.947251 1.250023 6C 3s 0.066523 0.092750 0.047982 0.027334 0.935181 -1.261984 6C 4s 0.159971 0.043181 0.137446 0.063434 0.136746 -0.019921 6C 5s -0.534705 -0.574580 -0.352250 -0.200561 0.621702 -0.995307 6C 1pz 0.016995 0.020954 0.014717 0.006410 -0.002732 0.005595 6C 1px 0.009532 0.011900 0.008467 0.005455 -0.001533 0.002781 6C 1py -0.028525 -0.034173 -0.024247 -0.012774 0.001825 -0.000899 6C 2pz -0.138972 -0.172256 -0.136195 -0.046201 -0.503225 0.641791 6C 2px -0.029630 -0.048419 -0.045557 -0.060044 -0.312227 0.389100 6C 2py 0.209275 0.259748 0.208338 0.088096 0.839451 -1.087636 6C 3pz -0.046148 -0.074185 -0.120935 -0.069623 0.152136 -0.150263 6C 3px 0.064226 0.053889 0.007692 0.020101 0.094491 -0.103812 6C 3py 0.033840 0.087099 0.151596 0.027185 -0.233210 0.280371 6C 1dz2 -0.004626 -0.003169 -0.002374 -0.002353 -0.092037 0.117859 6C 1dxz -0.007292 -0.004902 -0.002875 -0.002262 -0.075345 0.096528 6C 1dyz -0.003537 -0.003380 -0.002814 -0.001201 -0.090938 0.116082 6C 1dx2y2 0.007050 0.004083 0.001632 0.003116 0.102260 -0.130356 6C 1dxy 0.004802 0.003618 0.002147 0.000818 0.011827 -0.015279 6C 2dz2 -0.028202 -0.023281 -0.028069 -0.018271 -0.131632 0.171409 6C 2dxz -0.110578 -0.129689 -0.106591 -0.040179 -0.269485 0.354062 6C 2dyz 0.082331 0.115923 0.080263 0.042698 0.077221 -0.097740 6C 2dx2y2 0.182759 0.214713 0.179135 0.085450 0.420229 -0.543623 6C 2dxy 0.105926 0.132073 0.101431 0.030503 0.208423 -0.275675 6C 1f0 0.038866 0.044125 0.032892 0.014839 0.054282 -0.070282 6C 1f+1 0.004417 0.003158 0.004405 0.003042 0.076077 -0.096880 6C 1f-1 0.006408 0.007480 0.005517 0.002826 -0.004241 0.005012 6C 1f+2 0.034780 0.041471 0.029328 0.015739 0.001941 -0.003504 6C 1f-2 0.025200 0.032602 0.021374 0.012485 -0.069607 0.088962 6C 1f+3 -0.028577 -0.036032 -0.023050 -0.010076 0.078702 -0.100399 6C 1f-3 0.008612 0.013696 0.007009 0.003243 -0.101099 0.129441 7C 1s -0.028174 0.015256 0.031607 -0.039196 0.691473 -0.346161 7C 2s 0.037894 -0.020620 -0.043043 0.053666 -0.925065 0.463301 7C 3s -0.044269 0.021550 0.054650 -0.098744 0.912696 -0.463694 7C 4s -0.103935 0.083117 0.178509 -0.067079 0.136384 -0.030022 7C 5s 0.386645 -0.176314 -0.453976 0.655728 0.596268 -0.345685 7C 1pz -0.018580 0.013079 0.028460 -0.038183 -0.002175 0.004354 7C 1px -0.002703 0.001735 0.004007 -0.006667 -0.000049 0.001867 7C 1py -0.011679 0.007528 0.018871 -0.025985 -0.002175 -0.004379 7C 2pz 0.129976 -0.111663 -0.247897 0.294640 -0.833474 0.395910 7C 2px -0.024269 0.024490 0.026728 0.009191 -0.126283 0.060196 7C 2py 0.068777 -0.056327 -0.143817 0.186872 -0.550665 0.294489 7C 3pz 0.002181 -0.049183 -0.166406 0.140621 0.234672 -0.049275 7C 3px -0.076067 0.038934 0.068707 -0.105239 0.046052 0.002488 7C 3py -0.025787 -0.059760 -0.088278 0.043600 0.167929 -0.108386 7C 1dz2 0.001888 -0.000122 0.000426 0.000261 -0.022696 0.011594 7C 1dxz 0.007003 -0.003650 -0.006074 0.006737 -0.076403 0.037220 7C 1dyz 0.000236 0.000488 0.001406 -0.001321 0.062248 -0.030727 7C 1dx2y2 -0.007025 0.003610 0.005502 -0.006193 0.126485 -0.061001 7C 1dxy -0.001615 0.000750 0.000455 -0.001046 0.072943 -0.035613 7C 2dz2 0.074280 -0.050121 -0.138790 0.182037 -0.243216 0.126871 7C 2dxz 0.064739 -0.055252 -0.125601 0.133103 -0.272173 0.137065 7C 2dyz 0.072489 -0.051243 -0.133728 0.183418 -0.174411 0.084899 7C 2dx2y2 -0.085803 0.064799 0.159024 -0.184826 0.365734 -0.183439 7C 2dxy -0.009250 0.002942 0.017213 -0.020666 0.084604 -0.044865 7C 1f0 0.003004 -0.000470 -0.003610 0.008137 0.045976 -0.021902 7C 1f+1 0.005477 -0.002046 -0.007564 0.014764 0.105675 -0.050907 7C 1f-1 0.036789 -0.023318 -0.056094 0.074535 -0.003677 0.002127 7C 1f+2 -0.013010 0.007231 0.019181 -0.031394 -0.081032 0.039584 7C 1f-2 0.012264 -0.007463 -0.018286 0.025765 -0.001518 0.000459 7C 1f+3 0.008663 -0.006326 -0.013916 0.015824 -0.014011 0.007241 7C 1f-3 0.000788 -0.000017 0.000422 0.001869 0.092820 -0.046803 8C 1s 0.797577 0.895210 0.626093 0.328763 -0.030015 0.040328 8C 2s -1.011065 -1.134982 -0.793864 -0.416915 0.038120 -0.051320 8C 3s 0.899828 0.995175 0.695753 0.369570 -0.082498 0.114989 8C 4s -0.335058 -0.288721 -0.189867 -0.126956 0.681597 -0.928664 8C 5s 1.153021 1.304137 1.022581 0.505721 -0.522707 0.784939 8C 1pz -0.014828 -0.015569 -0.010836 -0.006544 -0.000660 0.001063 8C 1px -0.010346 -0.011054 -0.007777 -0.004255 -0.003884 0.005801 8C 1py 0.027338 0.028952 0.019823 0.010655 0.005619 -0.007995 8C 2pz -0.002437 -0.029735 -0.028800 -0.002338 -0.248300 0.331395 8C 2px 0.015489 0.002853 -0.003020 0.002023 -0.115338 0.146794 8C 2py -0.026526 0.018082 0.025316 -0.005532 0.367371 -0.481017 8C 3pz -0.061502 -0.074007 -0.060846 -0.013780 0.034461 -0.079751 8C 3px -0.022538 -0.029141 -0.029543 -0.010535 0.076346 -0.108022 8C 3py 0.068639 0.082783 0.078890 0.041288 -0.139136 0.195970 8C 1dz2 -0.002221 -0.003157 -0.001627 0.000392 -0.003533 0.003380 8C 1dxz -0.001055 -0.000571 0.000122 0.000140 -0.001155 0.000655 8C 1dyz -0.007222 -0.009451 -0.006991 -0.003584 -0.004946 0.007018 8C 1dx2y2 0.000963 -0.000143 -0.000473 0.000848 0.001816 -0.001954 8C 1dxy -0.000804 -0.002052 -0.001651 -0.000642 -0.001449 0.002748 8C 2dz2 0.017370 0.016667 0.009919 0.001741 0.005262 -0.004270 8C 2dxz 0.004828 0.012000 0.009386 0.000443 0.053403 -0.068819 8C 2dyz 0.054194 0.046004 0.030608 0.023950 -0.023135 0.026513 8C 2dx2y2 0.010531 0.001704 -0.001222 0.001520 -0.081454 0.108150 8C 2dxy 0.012004 0.005494 0.001039 0.003314 -0.053873 0.068928 8C 1f0 -0.022434 -0.023517 -0.016804 -0.008834 -0.023750 0.031272 8C 1f+1 -0.010779 -0.012277 -0.008893 -0.004298 0.003930 -0.004965 8C 1f-1 -0.030367 -0.033752 -0.023866 -0.013045 -0.008112 0.010764 8C 1f+2 0.063501 0.073865 0.051162 0.026389 -0.024821 0.032198 8C 1f-2 0.048240 0.056243 0.039624 0.020084 -0.024559 0.031675 8C 1f+3 -0.008056 -0.011215 -0.008301 -0.003471 0.027057 -0.035211 8C 1f-3 -0.005976 -0.005448 -0.003513 -0.002286 -0.018115 0.023536 9C 1s -0.531672 0.317761 0.747574 -0.997758 -0.027957 0.011957 9C 2s 0.674007 -0.402890 -0.947926 1.265214 0.035439 -0.015056 9C 3s -0.604383 0.356551 0.835809 -1.110450 -0.078977 0.036400 9C 4s 0.253750 -0.118406 -0.258341 0.325618 0.665928 -0.333463 9C 5s -0.745343 0.493373 1.207855 -1.498936 -0.504539 0.230174 9C 1pz 0.018599 -0.010184 -0.024029 0.031852 -0.004462 0.002506 9C 1px 0.004174 -0.002179 -0.005678 0.007551 -0.004419 0.002323 9C 1py 0.012091 -0.007338 -0.015695 0.020582 -0.002966 0.001482 9C 2pz -0.033233 -0.001106 -0.016977 0.025069 -0.373085 0.190881 9C 2px -0.017622 0.009090 0.014934 -0.016508 -0.027967 0.015765 9C 2py -0.020824 0.000020 -0.014389 0.019954 -0.249441 0.120261 9C 3pz 0.043471 -0.044616 -0.095992 0.104910 0.119977 -0.078951 9C 3px 0.001969 -0.004489 -0.007379 0.006045 0.072931 -0.049079 9C 3py 0.035355 -0.014235 -0.069998 0.084640 0.072230 -0.005065 9C 1dz2 -0.000678 -0.000318 0.002405 -0.003594 0.000651 -0.002551 9C 1dxz 0.002224 -0.001310 -0.002113 0.002507 -0.001021 0.000206 9C 1dyz -0.003385 0.003367 0.006940 -0.009358 0.004413 -0.001231 9C 1dx2y2 -0.001822 0.000076 0.001182 -0.002256 0.003041 -0.002550 9C 1dxy -0.001347 0.000582 0.002180 -0.003474 0.003291 -0.003030 9C 2dz2 0.021473 -0.003748 -0.015960 0.021632 0.052544 -0.019441 9C 2dxz -0.007182 0.007599 0.016467 -0.021011 0.062081 -0.028407 9C 2dyz 0.041484 -0.021656 -0.038143 0.047740 0.045115 -0.025829 9C 2dx2y2 0.005446 -0.003308 -0.013699 0.019746 -0.064509 0.037324 9C 2dxy 0.008315 -0.004144 -0.009258 0.011059 -0.000838 0.001524 9C 1f0 0.011469 -0.007629 -0.017265 0.023010 0.008494 -0.004282 9C 1f+1 0.004243 -0.002986 -0.007972 0.010374 0.014852 -0.006662 9C 1f-1 0.010676 -0.007272 -0.017676 0.025352 0.040865 -0.020445 9C 1f+2 -0.031030 0.019003 0.045728 -0.061733 -0.023279 0.011614 9C 1f-2 0.034617 -0.020949 -0.049666 0.066812 0.009774 -0.005065 9C 1f+3 -0.031937 0.018844 0.044577 -0.059526 0.008884 -0.004874 9C 1f-3 -0.007080 0.004257 0.008882 -0.012012 0.009757 -0.004469 10H 1s 0.016935 0.012530 -0.026820 -0.025530 0.015390 0.007057 10H 2s 0.104832 0.070212 -0.155729 -0.149888 0.053797 0.027683 10H 3s 0.116866 0.088526 -0.191059 -0.174670 0.045142 0.020311 10H 1pz 0.044831 0.031584 -0.068310 -0.065637 -0.007913 -0.003978 10H 1px -0.075798 -0.053748 0.115954 0.110493 -0.026113 -0.012431 10H 1py 0.013113 0.009210 -0.019729 -0.019275 -0.005918 -0.002651 11H 1s 0.020658 0.014703 -0.031263 -0.029756 -0.005349 -0.002517 11H 2s 0.137738 0.100548 -0.212493 -0.200401 -0.041969 -0.015011 11H 3s 0.136222 0.095979 -0.220820 -0.200087 -0.008217 -0.025991 11H 1pz 0.054831 0.039554 -0.085288 -0.081057 -0.012494 -0.005567 11H 1px 0.061311 0.044194 -0.093978 -0.089396 -0.004752 -0.001171 11H 1py -0.042665 -0.030555 0.064492 0.061443 -0.018290 -0.010111 12H 1s 0.019858 0.013853 -0.030175 -0.028709 0.001641 0.000527 12H 2s 0.134066 0.095427 -0.202797 -0.194775 -0.022445 -0.014333 12H 3s 0.129394 0.100563 -0.210280 -0.188681 0.012037 0.014977 12H 1pz -0.021858 -0.014850 0.032875 0.031227 -0.023844 -0.011021 12H 1px 0.041824 0.029700 -0.063794 -0.060959 -0.008844 -0.005034 12H 1py 0.080456 0.057574 -0.123272 -0.117910 -0.000865 -0.001908 13H 1s -0.025935 0.029707 -0.015125 0.011854 0.014140 0.017036 13H 2s -0.154949 0.169927 -0.085049 0.073168 0.045366 0.066769 13H 3s -0.173141 0.195743 -0.107755 0.086097 0.045112 0.057933 13H 1pz -0.082412 0.092566 -0.046788 0.038688 0.007911 0.010507 13H 1px 0.091929 -0.102942 0.052291 -0.042519 -0.021894 -0.029216 13H 1py 0.042582 -0.047826 0.023946 -0.020051 0.014840 0.019306 14H 1s -0.028238 0.031727 -0.016278 0.012725 0.004497 0.004658 14H 2s -0.184265 0.209791 -0.105932 0.086006 -0.009005 -0.009517 14H 3s -0.189824 0.206628 -0.113130 0.095523 0.018231 0.027734 14H 1pz -0.061075 0.069427 -0.035219 0.028769 0.002362 0.002260 14H 1px -0.117653 0.133005 -0.067511 0.054583 -0.001742 -0.002736 14H 1py -0.021897 0.024203 -0.012370 0.009556 0.025897 0.034364 15H 1s -0.030875 0.034452 -0.017237 0.013990 -0.006925 -0.009748 15H 2s -0.200412 0.223768 -0.114888 0.095654 -0.044504 -0.060481 15H 3s -0.203727 0.224876 -0.124638 0.092430 -0.010850 0.008944 15H 1pz 0.088498 -0.098930 0.049905 -0.041529 -0.014052 -0.017306 15H 1px -0.026381 0.029868 -0.015335 0.012319 -0.010116 -0.013546 15H 1py 0.098279 -0.110910 0.056683 -0.046083 0.012869 0.018676 16H 1s -0.000965 -0.000291 0.000144 -0.000356 -0.001390 -0.000132 16H 2s -0.006515 0.007646 -0.005421 0.008626 -0.009515 -0.004244 16H 3s -0.006912 0.002421 0.008466 0.003770 0.026382 -0.001096 16H 1pz -0.001729 0.002376 -0.001206 0.000866 -0.002433 -0.002243 16H 1px 0.000134 -0.000181 0.000491 0.000666 -0.000222 0.000872 16H 1py -0.000230 -0.000396 0.000004 0.000275 -0.001239 0.000134 17H 1s 0.001270 -0.000384 0.000014 -0.000095 -0.001391 0.000277 17H 2s -0.008529 0.004463 -0.007774 0.000869 -0.010825 0.011415 17H 3s 0.007004 0.009965 0.003375 -0.004212 0.026707 -0.003916 17H 1pz 0.001276 -0.000863 0.000791 -0.001244 0.002399 -0.002221 17H 1px 0.000763 0.001086 0.000790 0.000344 0.001589 -0.004858 17H 1py -0.000585 -0.000676 -0.000232 -0.000556 -0.001839 0.001807 18H 1s 0.001224 0.000407 0.000072 0.000142 -0.001409 -0.000289 18H 2s -0.008551 -0.003583 -0.007853 -0.000096 -0.010465 -0.010902 18H 3s 0.006845 -0.010204 0.003041 0.004088 0.026647 0.003704 18H 1pz -0.001240 -0.000746 -0.001053 -0.001156 -0.002459 -0.002247 18H 1px -0.000834 0.001222 -0.000534 0.000332 -0.001528 -0.004752 18H 1py 0.000618 -0.000742 0.000005 -0.000529 0.001757 0.001679 19H 1s -0.000975 0.000256 0.000219 0.000291 -0.001399 0.000134 19H 2s -0.005909 -0.007061 -0.007397 -0.007842 -0.009151 0.004524 19H 3s -0.006726 -0.003461 0.007272 -0.005540 0.026389 0.000909 19H 1pz 0.001592 0.002229 0.001507 0.000668 0.002252 -0.002263 19H 1px -0.000170 -0.000126 -0.000386 0.000733 0.000230 0.000891 19H 1py 0.000282 -0.000346 0.000043 0.000326 0.001316 0.000101 20H 1s -0.029563 -0.033061 -0.022762 -0.011948 -0.006844 0.009679 20H 2s -0.192134 -0.214807 -0.151795 -0.082091 -0.044369 0.060566 20H 3s -0.195358 -0.214872 -0.160994 -0.077344 -0.011022 -0.008949 20H 1pz -0.084894 -0.095097 -0.066125 -0.035679 0.014140 -0.017435 20H 1px 0.026214 0.029700 0.020901 0.010876 0.010214 -0.013722 20H 1py -0.093872 -0.106078 -0.074449 -0.039203 -0.012855 0.018720 21H 1s -0.027093 -0.030465 -0.021355 -0.010781 0.004322 -0.004449 21H 2s -0.177117 -0.201933 -0.140208 -0.073622 -0.009987 0.010796 21H 3s -0.181957 -0.197804 -0.148620 -0.082036 0.017802 -0.027068 21H 1pz 0.059265 0.067479 0.047065 0.024874 -0.002310 0.002203 21H 1px 0.112362 0.127209 0.088672 0.046384 0.002038 -0.003110 21H 1py 0.021279 0.023534 0.016418 0.008215 -0.025865 0.034424 22H 1s -0.024790 -0.028435 -0.019820 -0.010003 0.014244 -0.017222 22H 2s -0.148187 -0.162896 -0.112788 -0.063204 0.045952 -0.067778 22H 3s -0.165736 -0.187046 -0.140192 -0.072813 0.045372 -0.058335 22H 1pz 0.078342 0.088164 0.061356 0.032887 -0.007798 0.010401 22H 1px -0.088353 -0.099081 -0.069161 -0.036437 0.022121 -0.029602 22H 1py -0.041215 -0.046410 -0.032059 -0.017404 -0.014629 0.019063 23H 1s 0.018545 -0.010811 -0.025838 0.034584 0.001287 -0.000359 23H 2s 0.125593 -0.074957 -0.174248 0.235167 -0.023346 0.015172 23H 3s 0.121527 -0.079655 -0.182777 0.230033 0.010967 -0.015419 23H 1pz 0.020750 -0.011705 -0.028577 0.038255 0.023249 -0.010991 23H 1px -0.037955 0.022584 0.053109 -0.071340 0.008881 -0.005140 23H 1py -0.075526 0.045324 0.106188 -0.142755 0.001216 -0.002154 24H 1s 0.019240 -0.011519 -0.026750 0.035760 -0.005009 0.002420 24H 2s 0.128762 -0.079068 -0.182659 0.241986 -0.040891 0.014981 24H 3s 0.127088 -0.073532 -0.189902 0.242568 -0.007660 0.024995 24H 1pz -0.050795 0.030716 0.072596 -0.096980 0.012169 -0.005581 24H 1px -0.058160 0.035233 0.081869 -0.109415 0.004648 -0.001168 24H 1py 0.039050 -0.023518 -0.054153 0.072491 0.018233 -0.010265 25H 1s 0.015752 -0.009825 -0.022984 0.030693 0.015240 -0.007134 25H 2s 0.097918 -0.054267 -0.132619 0.180117 0.053458 -0.028243 25H 3s 0.108982 -0.069132 -0.164846 0.211687 0.044612 -0.020700 25H 1pz -0.042219 0.024875 0.058910 -0.079646 0.007394 -0.003816 25H 1px 0.070641 -0.041926 -0.099115 0.132819 0.025683 -0.012553 25H 1py -0.011518 0.006771 0.015795 -0.021758 0.006293 -0.002914 26O 1s 0.003714 0.002340 -0.004861 -0.004234 -0.011947 -0.005614 26O 2s 0.000040 0.000024 -0.000035 -0.000077 -0.001698 -0.000834 26O 3s -0.042503 -0.027073 0.055644 0.049017 0.236097 0.112181 26O 4s 0.142517 0.093611 -0.195024 -0.170906 -0.736519 -0.344444 26O 5s -0.128510 -0.035684 0.034447 0.049875 -0.161073 -0.135591 26O 1pz 0.005387 0.004193 -0.009225 -0.008599 -0.010195 -0.003069 26O 1px 0.005496 0.004479 -0.008531 -0.008708 -0.058802 -0.028739 26O 1py 0.005794 0.004351 -0.010213 -0.010067 -0.028678 -0.014704 26O 2pz -0.029176 -0.023220 0.054699 0.049242 0.076773 0.032411 26O 2px -0.034803 -0.027355 0.058533 0.054133 0.465147 0.227873 26O 2py -0.032347 -0.026734 0.059745 0.054929 0.222586 0.109659 26O 3pz 0.001775 -0.014040 0.005570 -0.022602 0.105815 0.038930 26O 3px 0.034326 -0.008881 0.036306 -0.009494 0.123844 0.047999 26O 3py 0.016894 0.013941 -0.001685 -0.028835 0.107267 0.043411 26O 1dz2 0.001337 0.001691 -0.001821 -0.001280 -0.011034 -0.005103 26O 1dxz -0.004379 -0.002144 0.005866 0.005405 0.006166 0.004037 26O 1dyz -0.000800 -0.000706 0.000671 0.000826 -0.003207 -0.001036 26O 1dx2y2 0.000208 0.000691 -0.000187 0.000170 0.007492 0.003571 26O 1dxy -0.002565 -0.000636 0.002953 0.003112 0.009957 0.004175 26O 2dz2 -0.003334 -0.004779 0.005557 0.002410 0.133462 0.063164 26O 2dxz 0.017502 0.010482 -0.026964 -0.024678 -0.055159 -0.030455 26O 2dyz 0.008187 0.005694 -0.010479 -0.011141 -0.004900 -0.004915 26O 2dx2y2 -0.000634 -0.001329 0.000298 0.001174 -0.139283 -0.067625 26O 2dxy 0.012456 0.006272 -0.017083 -0.015627 -0.161821 -0.076495 26O 1f0 -0.000091 -0.000162 -0.000851 -0.000706 -0.014642 -0.007861 26O 1f+1 -0.000992 -0.000878 0.002569 0.002813 -0.053190 -0.025652 26O 1f-1 0.001591 0.001028 -0.001835 -0.001495 -0.026167 -0.012173 26O 1f+2 0.000864 0.000444 -0.000808 -0.001237 0.017349 0.008860 26O 1f-2 -0.001390 -0.001602 0.002911 0.002626 0.008862 0.004725 26O 1f+3 0.001203 0.000535 -0.001078 -0.000985 -0.022614 -0.011665 26O 1f-3 0.001180 0.000604 -0.000733 -0.000347 -0.068588 -0.032959 27O 1s -0.005080 0.004838 -0.002491 0.001873 -0.011867 -0.015052 27O 2s -0.000090 0.000078 -0.000021 0.000114 -0.001760 -0.002274 27O 3s 0.059721 -0.055548 0.029019 -0.025379 0.237770 0.302054 27O 4s -0.202291 0.192554 -0.103610 0.089569 -0.743901 -0.927116 27O 5s 0.094719 -0.057810 -0.038835 0.037357 -0.201726 -0.346263 27O 1pz -0.004764 0.006470 -0.003894 0.002595 0.000727 0.003544 27O 1px -0.011322 0.012928 -0.006684 0.007124 -0.064941 -0.084608 27O 1py 0.008628 -0.009624 0.005284 -0.005084 0.017537 0.019726 27O 2pz 0.024066 -0.032005 0.020033 -0.014500 -0.008982 -0.019692 27O 2px 0.072461 -0.074063 0.046007 -0.050564 0.515820 0.663899 27O 2py -0.050965 0.057019 -0.034624 0.030336 -0.135765 -0.163956 27O 3pz -0.007251 0.015418 -0.012404 0.035725 0.046357 0.052468 27O 3px -0.008791 0.017284 0.045947 -0.023192 0.159795 0.145481 27O 3py -0.016508 0.007126 -0.017410 -0.000955 -0.112186 -0.120848 27O 1dz2 -0.001854 0.001756 -0.000465 -0.000050 -0.006272 -0.007620 27O 1dxz 0.002944 -0.002532 0.000879 -0.000846 0.000546 0.002584 27O 1dyz 0.001677 -0.002357 0.001197 0.000203 0.006020 0.007817 27O 1dx2y2 0.001586 -0.001019 0.000654 -0.001422 0.014170 0.016530 27O 1dxy -0.006428 0.006268 -0.003497 0.002889 -0.007004 -0.010182 27O 2dz2 0.011427 -0.009376 0.005323 -0.005333 0.122962 0.157200 27O 2dxz -0.012949 0.013548 -0.005688 0.004641 0.012670 0.009911 27O 2dyz 0.000129 0.001535 -0.001688 -0.002582 -0.023413 -0.027647 27O 2dx2y2 -0.007262 0.001867 -0.003787 0.008134 -0.207157 -0.259956 27O 2dxy 0.030906 -0.031194 0.018132 -0.015880 0.099451 0.132512 27O 1f0 0.002494 -0.002317 0.000992 -0.000856 0.007952 0.009433 27O 1f+1 -0.001591 0.000726 -0.000440 0.000810 -0.054932 -0.071602 27O 1f-1 0.002161 -0.001928 0.001084 -0.001458 0.011608 0.015123 27O 1f+2 0.000448 -0.000653 0.000605 -0.000386 -0.004292 -0.005404 27O 1f-2 -0.002626 0.003647 -0.001631 0.001150 0.010550 0.013332 27O 1f+3 0.000221 -0.002176 0.001182 0.000200 -0.063538 -0.082263 27O 1f-3 0.001298 -0.001217 0.001069 -0.000933 0.045910 0.060092 28O 1s 0.003515 0.001822 -0.004555 -0.003547 -0.011941 -0.005613 28O 2s 0.000154 0.000168 -0.000204 -0.000177 -0.001776 -0.000864 28O 3s -0.044963 -0.027084 0.059308 0.044681 0.240109 0.113713 28O 4s 0.146904 0.094823 -0.202814 -0.153771 -0.758350 -0.353870 28O 5s -0.000430 0.098852 -0.160234 -0.079794 -0.225863 -0.149715 28O 1pz 0.008516 0.007947 -0.013675 -0.012856 -0.044185 -0.019963 28O 1px -0.006454 -0.005693 0.010235 0.009016 0.050779 0.025765 28O 1py 0.002502 0.002871 -0.005818 -0.005560 -0.007807 -0.004066 28O 2pz -0.055592 -0.053562 0.096294 0.076674 0.354752 0.167085 28O 2px 0.043126 0.041179 -0.069697 -0.049325 -0.405211 -0.198256 28O 2py -0.016315 -0.019323 0.036429 0.030966 0.062217 0.029402 28O 3pz -0.060318 -0.065188 0.139069 0.079480 0.195414 0.081112 28O 3px -0.018556 0.019094 -0.037597 0.027512 -0.093661 -0.036797 28O 3py -0.037837 -0.004603 0.054016 0.047850 0.085227 0.039004 28O 1dz2 -0.004404 -0.001886 0.006435 0.005287 0.001811 0.001667 28O 1dxz 0.004276 0.003370 -0.006053 -0.004635 -0.016248 -0.007862 28O 1dyz -0.001734 -0.000758 0.001391 -0.000181 -0.002886 -0.001563 28O 1dx2y2 0.001065 0.001421 -0.002131 -0.002024 0.006597 0.002103 28O 1dxy 0.003693 0.001743 -0.004452 -0.004858 -0.006145 -0.002721 28O 2dz2 0.020768 0.012177 -0.032444 -0.026777 -0.028662 -0.017419 28O 2dxz -0.022676 -0.020156 0.034741 0.022410 0.228100 0.109589 28O 2dyz 0.013216 0.007955 -0.015869 -0.009825 -0.012704 -0.006206 28O 2dx2y2 -0.001410 -0.000687 0.003693 0.007703 -0.124477 -0.056485 28O 2dxy -0.013575 -0.008169 0.019098 0.018294 0.047295 0.021289 28O 1f0 -0.001220 -0.001042 0.002704 0.003081 -0.031789 -0.014986 28O 1f+1 0.001867 0.001548 -0.003468 -0.002321 -0.046077 -0.023335 28O 1f-1 -0.001934 -0.001749 0.003392 0.003851 -0.001610 -0.000684 28O 1f+2 -0.001622 -0.001293 0.000690 -0.000665 0.069512 0.033339 28O 1f-2 0.002689 0.002074 -0.004271 -0.003740 -0.015834 -0.006968 28O 1f+3 -0.000721 -0.000084 0.000067 -0.000016 0.030388 0.014603 28O 1f-3 -0.001527 -0.000888 0.002208 0.002730 -0.016014 -0.007194 29O 1s -0.000177 0.000129 -0.000276 0.000240 -0.001187 -0.000001 29O 2s 0.000026 -0.000012 0.000013 -0.000024 0.000289 -0.000011 29O 3s 0.001023 -0.001024 0.002986 -0.002030 0.006655 0.000699 29O 4s -0.005438 0.004494 -0.016632 0.007656 -0.021987 -0.001412 29O 5s 0.025616 -0.016026 0.056729 -0.021947 0.075975 -0.007867 29O 1pz -0.000278 -0.000980 0.000579 0.000725 0.001709 0.000848 29O 1px -0.000189 -0.000371 0.000114 0.000167 -0.004594 0.000497 29O 1py -0.000032 0.000818 0.000710 0.000354 0.001658 -0.000651 29O 2pz 0.000743 0.005103 -0.002884 -0.002350 -0.005752 -0.006973 29O 2px 0.001915 0.001265 0.001247 -0.001094 0.015329 -0.004402 29O 2py -0.000928 -0.003009 -0.003197 -0.001102 -0.008412 0.004263 29O 3pz -0.004611 -0.005601 0.017264 0.013762 0.017356 -0.002244 29O 3px -0.005876 -0.005294 -0.022316 0.006378 -0.043540 0.003182 29O 3py -0.009911 0.016707 -0.003498 0.008629 0.003653 -0.001878 29O 1dz2 -0.000366 -0.000059 0.000066 -0.000221 -0.001044 0.000077 29O 1dxz -0.000075 0.000174 0.000576 0.000437 -0.001150 0.000080 29O 1dyz -0.000645 -0.000298 0.000325 0.000451 -0.000254 -0.000438 29O 1dx2y2 -0.000133 -0.000135 -0.000630 0.000082 0.001740 0.000031 29O 1dxy -0.000407 0.000491 0.000184 0.000228 0.000833 -0.000403 29O 2dz2 0.001368 -0.000262 0.000035 0.000220 0.003457 0.000225 29O 2dxz 0.000455 -0.000173 -0.001375 -0.000713 0.003399 -0.001435 29O 2dyz 0.001626 -0.000371 -0.000729 -0.001501 0.000570 0.003600 29O 2dx2y2 0.000235 0.000448 0.001836 -0.000153 -0.003796 0.000003 29O 2dxy 0.000445 -0.000997 -0.000698 -0.000243 -0.003175 0.002258 29O 1f0 -0.000128 -0.000049 -0.000063 0.000270 -0.000083 0.000171 29O 1f+1 -0.000056 -0.000034 -0.000051 0.000027 -0.000264 -0.000205 29O 1f-1 -0.000288 0.000149 -0.000387 0.000106 -0.000852 0.000078 29O 1f+2 0.000315 -0.000200 0.000016 -0.000065 -0.000619 0.000274 29O 1f-2 -0.000263 0.000052 -0.000362 -0.000063 -0.000923 0.000412 29O 1f+3 0.000186 -0.000202 -0.000007 -0.000257 -0.000860 -0.000182 29O 1f-3 0.000131 -0.000166 0.000040 0.000127 -0.000260 -0.000219 30O 1s -0.004944 0.004130 -0.002378 0.001825 -0.012008 -0.015055 30O 2s -0.000199 0.000225 -0.000095 0.000056 -0.001742 -0.002296 30O 3s 0.062835 -0.053335 0.030835 -0.022096 0.239193 0.303244 30O 4s -0.208941 0.184245 -0.107272 0.074898 -0.751376 -0.937092 30O 5s -0.026058 0.101957 -0.118243 0.025567 -0.198572 -0.374451 30O 1pz -0.009848 0.012307 -0.006098 0.004341 -0.033817 -0.042633 30O 1px 0.007032 -0.007463 0.003826 -0.002945 0.045406 0.061853 30O 1py 0.010647 -0.013062 0.006683 -0.005019 0.036192 0.045391 30O 2pz 0.062581 -0.071061 0.041131 -0.025936 0.268033 0.342937 30O 2px -0.048683 0.046171 -0.028418 0.015506 -0.359888 -0.475295 30O 2py -0.072058 0.082467 -0.048948 0.029153 -0.288696 -0.367525 30O 3pz 0.043048 -0.030792 0.050112 -0.008471 0.132796 0.134701 30O 3px 0.015296 -0.015610 -0.035652 -0.015143 -0.054454 -0.049253 30O 3py -0.095322 0.084389 -0.082503 0.061787 -0.178067 -0.186832 30O 1dz2 0.001455 -0.001693 0.000630 -0.001649 0.001051 0.002517 30O 1dxz -0.001788 0.001939 -0.001062 -0.000194 -0.010819 -0.013341 30O 1dyz -0.004545 0.002923 -0.002114 0.001023 -0.003921 -0.004967 30O 1dx2y2 -0.006250 0.006409 -0.003366 0.001859 0.001428 0.000211 30O 1dxy 0.006154 -0.006326 0.003099 -0.002829 0.015143 0.019031 30O 2dz2 -0.003036 0.004707 -0.001574 0.004473 0.023974 0.028065 30O 2dxz 0.012342 -0.010293 0.007708 -0.001571 0.157286 0.200715 30O 2dyz 0.030743 -0.025742 0.016579 -0.009013 0.104188 0.136681 30O 2dx2y2 0.026378 -0.029269 0.015152 -0.009594 -0.041931 -0.048596 30O 2dxy -0.027271 0.026278 -0.016078 0.010918 -0.178562 -0.227643 30O 1f0 -0.002390 0.002312 -0.001036 0.000912 -0.037303 -0.048952 30O 1f+1 0.001889 -0.002552 0.001024 -0.000840 -0.011077 -0.015095 30O 1f-1 -0.001317 0.001868 -0.000881 0.000550 -0.004016 -0.005627 30O 1f+2 -0.001867 0.003436 -0.001905 0.001590 0.024057 0.030564 30O 1f-2 0.004648 -0.003580 0.002231 -0.001816 0.065831 0.085817 30O 1f+3 -0.001169 0.001264 -0.001221 -0.000030 -0.020396 -0.026649 30O 1f-3 -0.002257 0.003993 -0.001819 0.001678 0.050591 0.065520 31O 1s -0.004781 -0.003955 -0.003063 -0.001583 -0.012024 0.015116 31O 2s -0.000191 -0.000219 -0.000129 -0.000046 -0.001743 0.002303 31O 3s 0.060750 0.051109 0.039598 0.018927 0.239440 -0.304378 31O 4s -0.201765 -0.176354 -0.137330 -0.063411 -0.752206 0.940741 31O 5s -0.023740 -0.091711 -0.133495 -0.005881 -0.198549 0.375658 31O 1pz 0.009379 0.011787 0.007985 0.003603 0.033872 -0.042799 31O 1px -0.006777 -0.007222 -0.005089 -0.002525 -0.045468 0.062087 31O 1py -0.010156 -0.012533 -0.008777 -0.004150 -0.036196 0.045530 31O 2pz -0.059839 -0.067710 -0.052340 -0.020866 -0.268362 0.344271 31O 2px 0.047079 0.044307 0.035903 0.012330 0.360285 -0.477059 31O 2py 0.069022 0.078598 0.061810 0.022837 0.288804 -0.368680 31O 3pz -0.043009 -0.027506 -0.055047 -0.001623 -0.133166 0.135673 31O 3px -0.015116 -0.019520 0.031702 -0.021795 0.054384 -0.049599 31O 3py 0.091691 0.077933 0.101194 0.050887 0.178555 -0.188218 31O 1dz2 0.001379 0.001673 0.001081 0.001566 0.001049 -0.002527 31O 1dxz -0.001773 -0.001880 -0.001219 0.000322 -0.010827 0.013405 31O 1dyz -0.004447 -0.002805 -0.002573 -0.000846 -0.003920 0.004990 31O 1dx2y2 -0.006069 -0.006177 -0.004268 -0.001499 0.001430 -0.000227 31O 1dxy 0.005914 0.006082 0.004168 0.002502 0.015168 -0.019109 31O 2dz2 -0.002868 -0.004669 -0.002774 -0.004225 0.023962 -0.028088 31O 2dxz 0.012065 0.009815 0.009101 0.000677 0.157440 -0.201510 31O 2dyz 0.029844 0.024651 0.020636 0.007289 0.104257 -0.137159 31O 2dx2y2 0.025518 0.028163 0.019409 0.007882 -0.041992 0.048846 31O 2dxy -0.026254 -0.025047 -0.020498 -0.009075 -0.178707 0.228413 31O 1f0 0.002305 0.002249 0.001431 0.000816 0.037333 -0.049109 31O 1f+1 -0.001792 -0.002449 -0.001387 -0.000719 0.011105 -0.015189 31O 1f-1 0.001289 0.001824 0.001167 0.000457 0.004034 -0.005671 31O 1f+2 0.001767 0.003281 0.002483 0.001306 -0.024086 0.030690 31O 1f-2 -0.004478 -0.003425 -0.002903 -0.001585 -0.065879 0.086106 31O 1f+3 0.001148 0.001170 0.001336 -0.000189 0.020400 -0.026709 31O 1f-3 0.002141 0.003841 0.002448 0.001420 -0.050632 0.065730 32O 1s -0.000166 -0.000103 -0.000321 -0.000198 -0.001183 0.000011 32O 2s 0.000025 0.000010 0.000017 0.000023 0.000288 0.000009 32O 3s 0.000932 0.000770 0.003372 0.001514 0.006655 -0.000753 32O 4s -0.005104 -0.002993 -0.018013 -0.004863 -0.021934 0.001645 32O 5s 0.024626 0.010534 0.060442 0.013090 0.075271 0.006868 32O 1pz 0.000270 -0.000932 -0.000521 0.000858 -0.001644 0.000867 32O 1px 0.000185 -0.000367 -0.000115 0.000202 0.004610 0.000457 32O 1py 0.000016 0.000884 -0.000552 0.000474 -0.001645 -0.000619 32O 2pz -0.000806 0.004844 0.002822 -0.003040 0.005386 -0.007048 32O 2px -0.001901 0.001433 -0.001274 -0.001035 -0.015363 -0.004204 32O 2py 0.000982 -0.003307 0.002619 -0.001555 0.008301 0.004011 32O 3pz 0.003707 -0.004074 -0.014871 0.016897 -0.016977 -0.002051 32O 3px 0.005545 -0.007539 0.022531 0.002728 0.043572 0.002913 32O 3py 0.009448 0.016366 0.006225 0.008579 -0.003894 -0.002189 32O 1dz2 -0.000381 0.000043 0.000115 0.000209 -0.001037 -0.000079 32O 1dxz -0.000035 -0.000224 0.000466 -0.000529 -0.001148 -0.000076 32O 1dyz -0.000615 0.000249 0.000238 -0.000535 -0.000266 0.000435 32O 1dx2y2 -0.000120 0.000199 -0.000638 0.000038 0.001734 -0.000061 32O 1dxy -0.000383 -0.000521 0.000101 -0.000271 0.000832 0.000398 32O 2dz2 0.001366 0.000227 -0.000017 -0.000223 0.003406 -0.000129 32O 2dxz 0.000406 0.000258 -0.001213 0.000989 0.003400 0.001447 32O 2dyz 0.001504 0.000494 -0.000326 0.001638 0.000608 -0.003580 32O 2dx2y2 0.000219 -0.000654 0.001833 -0.000192 -0.003751 0.000141 32O 2dxy 0.000394 0.001099 -0.000530 0.000339 -0.003137 -0.002164 32O 1f0 0.000101 -0.000066 0.000083 0.000271 0.000045 0.000159 32O 1f+1 0.000046 -0.000037 0.000042 0.000013 0.000238 -0.000217 32O 1f-1 0.000285 0.000090 0.000407 0.000065 0.000859 0.000093 32O 1f+2 -0.000322 -0.000207 -0.000062 -0.000065 0.000588 0.000266 32O 1f-2 0.000272 0.000012 0.000343 -0.000098 0.000907 0.000397 32O 1f+3 -0.000170 -0.000198 -0.000041 -0.000273 0.000889 -0.000155 32O 1f-3 -0.000138 -0.000154 -0.000022 0.000123 0.000268 -0.000244 33O 1s 0.003347 -0.001342 -0.003995 0.004463 -0.011740 0.005656 33O 2s 0.000147 -0.000147 -0.000185 0.000219 -0.001746 0.000869 33O 3s -0.042921 0.020844 0.052672 -0.056705 0.236085 -0.114504 33O 4s 0.139900 -0.073642 -0.180230 0.194548 -0.745968 0.356415 33O 5s -0.002844 -0.084902 -0.154879 0.109570 -0.221821 0.149387 33O 1pz -0.007955 0.006563 0.011914 -0.015516 0.043410 -0.020067 33O 1px 0.006082 -0.004667 -0.009013 0.011065 -0.049925 0.025931 33O 1py -0.002218 0.002294 0.004966 -0.006579 0.007750 -0.004104 33O 2pz 0.052213 -0.043809 -0.086026 0.095414 -0.348479 0.167895 33O 2px -0.041168 0.034132 0.063751 -0.063498 0.398666 -0.199612 33O 2py 0.014875 -0.015749 -0.032076 0.037684 -0.061739 0.029765 33O 3pz 0.057524 -0.051363 -0.128776 0.106906 -0.192854 0.081632 33O 3px 0.017131 0.015764 0.044061 0.020679 0.093109 -0.037067 33O 3py 0.036665 0.000241 -0.046492 0.060407 -0.084498 0.039696 33O 1dz2 -0.004119 0.001214 0.005516 -0.006519 0.001752 -0.001655 33O 1dxz 0.004072 -0.002740 -0.005438 0.005858 -0.015970 0.007897 33O 1dyz -0.001769 0.000614 0.001508 -0.000227 -0.002827 0.001571 33O 1dx2y2 0.000993 -0.001209 -0.001869 0.002422 0.006545 -0.002145 33O 1dxy 0.003509 -0.001313 -0.003739 0.005835 -0.006062 0.002754 33O 2dz2 0.019387 -0.008811 -0.028077 0.032969 -0.027769 0.017292 33O 2dxz -0.021760 0.016551 0.032048 -0.029483 0.224143 -0.110194 33O 2dyz 0.012884 -0.006361 -0.014764 0.013436 -0.012667 0.006330 33O 2dx2y2 -0.001051 0.000360 0.002328 -0.008257 -0.122672 0.056996 33O 2dxy -0.012910 0.006347 0.016550 -0.022406 0.046847 -0.021609 33O 1f0 0.001046 -0.000766 -0.002172 0.003513 0.031301 -0.015124 33O 1f+1 -0.001752 0.001182 0.003117 -0.002987 0.045082 -0.023381 33O 1f-1 0.001797 -0.001433 -0.002863 0.004545 0.001567 -0.000679 33O 1f+2 0.001660 -0.001171 -0.000880 -0.000475 -0.068312 0.033561 33O 1f-2 -0.002556 0.001665 0.003774 -0.004640 0.015689 -0.007084 33O 1f+3 0.000709 -0.000054 -0.000050 0.000002 -0.029918 0.014729 33O 1f-3 0.001383 -0.000656 -0.001744 0.003126 0.015876 -0.007311 34O 1s -0.004913 -0.004659 -0.003264 -0.001618 -0.011884 0.015108 34O 2s -0.000081 -0.000074 -0.000048 -0.000111 -0.001761 0.002282 34O 3s 0.057537 0.053360 0.038573 0.022349 0.238056 -0.303147 34O 4s -0.194719 -0.184682 -0.136989 -0.078353 -0.744809 0.930557 34O 5s 0.096966 0.065648 -0.037966 -0.025196 -0.201856 0.346956 34O 1pz 0.004529 0.006130 0.004912 0.002079 -0.000718 0.003553 34O 1px 0.010696 0.012318 0.009067 0.006264 0.064998 -0.084886 34O 1py -0.008257 -0.009234 -0.007056 -0.004424 -0.017567 0.019843 34O 2pz -0.022845 -0.030266 -0.025344 -0.011780 0.009044 -0.019817 34O 2px -0.068416 -0.069798 -0.061377 -0.044510 -0.516323 0.666139 34O 2py 0.048666 0.054247 0.045089 0.025832 0.136052 -0.164808 34O 3pz 0.005605 0.014035 0.019915 0.033633 -0.046307 0.052470 34O 3px 0.010090 0.022813 -0.047750 -0.014320 -0.159948 0.145818 34O 3py 0.014994 0.004568 0.017224 -0.003551 0.112193 -0.121075 34O 1dz2 -0.001828 -0.001726 -0.000618 0.000060 -0.006275 0.007641 34O 1dxz 0.002867 0.002494 0.001263 0.000795 0.000531 -0.002591 34O 1dyz 0.001620 0.002259 0.001362 -0.000349 0.006025 -0.007846 34O 1dx2y2 0.001504 0.000968 0.000986 0.001355 0.014165 -0.016568 34O 1dxy -0.006157 -0.005957 -0.004532 -0.002482 -0.007020 0.010212 34O 2dz2 0.010959 0.008889 0.007110 0.004763 0.123080 -0.157723 34O 2dxz -0.012531 -0.013175 -0.007707 -0.004067 0.012822 -0.010057 34O 2dyz 0.000100 -0.001378 -0.001335 0.002850 -0.023461 0.027785 34O 2dx2y2 -0.006748 -0.001464 -0.005374 -0.007642 -0.207275 0.260761 34O 2dxy 0.029483 0.029541 0.023571 0.013650 0.099665 -0.133054 34O 1f0 -0.002413 -0.002254 -0.001369 -0.000776 -0.008010 0.009516 34O 1f+1 0.001509 0.000679 0.000648 0.000776 0.054974 -0.071837 34O 1f-1 -0.002039 -0.001824 -0.001500 -0.001318 -0.011623 0.015182 34O 1f+2 -0.000436 -0.000607 -0.000728 -0.000293 0.004344 -0.005471 34O 1f-2 0.002499 0.003508 0.002152 0.000942 -0.010587 0.013407 34O 1f+3 -0.000194 -0.002049 -0.001304 0.000407 0.063561 -0.082507 34O 1f-3 -0.001197 -0.001085 -0.001321 -0.000778 -0.045998 0.060340 35O 1s 0.003529 -0.001832 -0.004243 0.005216 -0.011744 0.005656 35O 2s 0.000037 -0.000020 -0.000021 0.000081 -0.001667 0.000838 35O 3s -0.040397 0.021242 0.048420 -0.060140 0.232010 -0.112918 35O 4s 0.135261 -0.073414 -0.169852 0.209808 -0.723979 0.346707 35O 5s -0.126700 0.030529 0.029576 -0.064516 -0.156286 0.134691 35O 1pz -0.005040 0.003303 0.007977 -0.010426 0.010069 -0.003089 35O 1px -0.005113 0.003608 0.007199 -0.010287 0.057726 -0.028893 35O 1py -0.005303 0.003322 0.008601 -0.011956 0.028233 -0.014800 35O 2pz 0.027095 -0.017915 -0.047317 0.059770 -0.075529 0.032504 35O 2px 0.032537 -0.021420 -0.050072 0.064845 -0.456701 0.229021 35O 2py 0.029880 -0.020772 -0.051266 0.066071 -0.219091 0.110393 35O 3pz -0.001767 -0.012622 -0.009195 -0.023046 -0.103873 0.039447 35O 3px -0.033700 -0.005699 -0.037477 -0.005883 -0.121742 0.048052 35O 3py -0.015574 0.013637 -0.002212 -0.029886 -0.105747 0.043751 35O 1dz2 0.001288 -0.001492 -0.001707 0.001642 -0.010819 0.005122 35O 1dxz -0.004074 0.001517 0.004942 -0.006492 0.006037 -0.004042 35O 1dyz -0.000777 0.000613 0.000573 -0.000943 -0.003173 0.001061 35O 1dx2y2 0.000241 -0.000682 -0.000310 -0.000070 0.007371 -0.003590 35O 1dxy -0.002433 0.000349 0.002434 -0.003717 0.009805 -0.004209 35O 2dz2 -0.003296 0.004174 0.005397 -0.003445 0.131080 -0.063514 35O 2dxz 0.016184 -0.007659 -0.022854 0.029598 -0.054026 0.030514 35O 2dyz 0.007715 -0.004559 -0.008814 0.013107 -0.004683 0.004864 35O 2dx2y2 -0.000632 0.001387 0.000427 -0.001546 -0.136693 0.067935 35O 2dxy 0.011839 -0.004560 -0.014612 0.018952 -0.159195 0.077045 35O 1f0 0.000150 -0.000246 0.000668 -0.000808 0.014320 -0.007875 35O 1f+1 0.000829 -0.000630 -0.002099 0.003254 0.052223 -0.025799 35O 1f-1 -0.001554 0.000839 0.001651 -0.001901 0.025741 -0.012265 35O 1f+2 -0.000814 0.000372 0.000643 -0.001444 -0.017021 0.008898 35O 1f-2 0.001257 -0.001305 -0.002520 0.003141 -0.008658 0.004732 35O 1f+3 -0.001135 0.000393 0.000887 -0.001164 0.022110 -0.011686 35O 1f-3 -0.001167 0.000496 0.000675 -0.000480 0.067448 -0.033207 756 757 758 759 760 761 23.32252 23.37286 43.51634 43.66027 43.85010 43.91896 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s 0.000047 -0.000016 -0.050636 0.012019 -0.031375 -0.011126 0Rh 2s 0.000188 -0.000058 -0.290067 0.069117 -0.180077 -0.063990 0Rh 3s 0.000413 -0.000135 -0.495869 0.117837 -0.307455 -0.109098 0Rh 4s -0.000349 0.000080 0.850505 -0.204079 0.528843 0.188520 0Rh 5s -0.000747 0.000450 -0.416876 0.110039 -0.265186 -0.097488 0Rh 6s 0.001402 -0.001064 0.154706 -0.066926 0.121727 0.045424 0Rh 7s -0.008658 0.006314 0.216435 -0.066261 0.009742 0.000361 0Rh 8s -0.008370 -0.002184 -0.072010 -0.188986 0.026132 -0.002487 0Rh 1pz -0.000463 0.000033 0.000519 0.000322 -0.000412 0.000877 0Rh 1px -0.000021 -0.000006 -0.001565 -0.000801 0.001142 0.000303 0Rh 1py -0.000621 0.000055 -0.000172 0.000015 0.000170 -0.000587 0Rh 2pz 0.002232 -0.000151 -0.002408 -0.001484 0.001926 -0.004043 0Rh 2px 0.000107 0.000030 0.007266 0.003676 -0.005329 -0.001396 0Rh 2py 0.002997 -0.000254 0.000795 -0.000085 -0.000790 0.002707 0Rh 3pz -0.012969 0.000726 0.011834 0.007061 -0.009727 0.018412 0Rh 3px -0.000724 -0.000172 -0.035811 -0.017214 0.026758 0.006204 0Rh 3py -0.017526 0.001218 -0.003901 0.000764 0.003871 -0.012292 0Rh 4pz 0.032415 -0.001551 -0.025689 -0.015204 0.021455 -0.031198 0Rh 4px 0.002073 0.000446 0.078244 0.036417 -0.058639 -0.009589 0Rh 4py 0.044025 -0.002527 0.008648 -0.002471 -0.008067 0.020686 0Rh 5pz -0.040130 0.002215 0.036130 0.026959 -0.027970 0.019916 0Rh 5px -0.003129 -0.000703 -0.110321 -0.066925 0.075520 0.003188 0Rh 5py -0.054400 0.002668 -0.012821 0.002335 0.008932 -0.012763 0Rh 6pz -0.030822 -0.006262 -0.145286 -0.327889 0.156012 -0.357811 0Rh 6px 0.009009 -0.000994 0.361281 0.941651 -0.418545 -0.132328 0Rh 6py -0.062365 0.017895 0.017800 0.087365 -0.047350 0.233038 0Rh 1dz2 0.001248 -0.002816 0.000436 0.000840 -0.000099 -0.000115 0Rh 1dxz -0.002846 -0.000012 0.000475 0.001043 -0.000143 0.000289 0Rh 1dyz 0.000319 -0.007893 0.000357 0.000406 -0.000084 0.000135 0Rh 1dx2y2 0.000683 -0.001261 -0.000763 -0.001729 0.000170 0.000131 0Rh 1dxy -0.004115 -0.002974 -0.001021 -0.001136 0.000232 -0.000110 0Rh 2dz2 -0.003415 0.007932 -0.001477 -0.002845 0.000155 0.000424 0Rh 2dxz 0.007874 0.000043 -0.001615 -0.003536 0.000241 -0.000956 0Rh 2dyz -0.000829 0.022234 -0.001193 -0.001364 0.000241 -0.000461 0Rh 2dx2y2 -0.001897 0.003557 0.002586 0.005847 -0.000210 -0.000502 0Rh 2dxy 0.011383 0.008381 0.003422 0.003817 -0.000637 0.000362 0Rh 3dz2 0.005137 -0.012968 0.003026 0.005913 0.000706 -0.001093 0Rh 3dxz -0.012333 -0.000132 0.003316 0.007359 0.000888 0.001887 0Rh 3dyz 0.000987 -0.036424 0.002395 0.002786 -0.000255 0.000978 0Rh 3dx2y2 0.003025 -0.005859 -0.005279 -0.012112 -0.001653 0.001398 0Rh 3dxy -0.017825 -0.013729 -0.006936 -0.007799 0.000488 -0.000713 0Rh 4dz2 -0.005066 0.015511 -0.004172 -0.010224 -0.005963 0.003100 0Rh 4dxz 0.014777 0.000653 -0.004214 -0.012581 -0.007925 -0.003383 0Rh 4dyz 0.000378 0.044677 -0.003683 -0.004702 -0.000686 -0.002004 0Rh 4dx2y2 -0.003941 0.007419 0.006758 0.020628 0.012496 -0.004218 0Rh 4dxy 0.021261 0.016753 0.011037 0.013225 0.002912 0.001392 0Rh 5dz2 0.002144 -0.004649 -0.006685 0.022038 0.015796 -0.008932 0Rh 5dxz -0.021080 -0.003155 -0.012444 0.025678 0.020546 0.013935 0Rh 5dyz -0.007987 -0.020755 0.002179 0.008905 0.002996 0.007521 0Rh 5dx2y2 0.007239 -0.004864 0.018255 -0.041782 -0.032287 0.010279 0Rh 5dxy -0.029113 -0.006829 -0.008967 -0.026382 -0.008934 -0.007485 0Rh 1f0 -0.002374 0.001453 0.002229 0.003872 0.000614 0.000075 0Rh 1f+1 -0.001890 -0.001644 -0.001619 -0.003122 -0.000549 0.001311 0Rh 1f-1 -0.006985 0.001997 -0.000456 -0.001043 0.000007 0.000275 0Rh 1f+2 0.002411 0.001143 -0.002955 -0.005604 -0.000482 -0.000909 0Rh 1f-2 -0.003818 -0.003690 -0.000872 -0.001951 -0.000202 -0.001004 0Rh 1f+3 0.000589 0.000354 -0.003366 -0.006292 -0.000868 0.001385 0Rh 1f-3 -0.002195 0.002266 -0.001612 -0.003085 -0.000610 -0.000629 1Rh 1s -0.000062 -0.000018 -0.050680 -0.011951 0.031268 -0.011248 1Rh 2s -0.000255 -0.000067 -0.290317 -0.068729 0.179464 -0.064694 1Rh 3s -0.000545 -0.000154 -0.496296 -0.117174 0.306410 -0.110298 1Rh 4s 0.000534 0.000097 0.851241 0.202941 -0.527036 0.190592 1Rh 5s 0.000607 0.000482 -0.417255 -0.109486 0.264240 -0.098542 1Rh 6s -0.000926 -0.001134 0.154891 0.066742 -0.121255 0.045853 1Rh 7s 0.005429 0.006381 0.216676 0.065765 -0.009828 -0.000287 1Rh 8s 0.007732 -0.003082 -0.071950 0.189289 -0.026290 -0.006047 1Rh 1pz -0.000457 -0.000031 -0.000519 0.000320 -0.000407 -0.000880 1Rh 1px -0.000034 0.000008 0.001563 -0.000804 0.001144 -0.000296 1Rh 1py -0.000622 -0.000054 0.000173 0.000014 0.000169 0.000589 1Rh 2pz 0.002202 0.000141 0.002408 -0.001472 0.001905 0.004056 1Rh 2px 0.000165 -0.000036 -0.007260 0.003692 -0.005339 0.001362 1Rh 2py 0.003002 0.000248 -0.000803 -0.000080 -0.000785 -0.002713 1Rh 3pz -0.012822 -0.000665 -0.011831 0.007006 -0.009632 -0.018480 1Rh 3px -0.001014 0.000204 0.035782 -0.017293 0.026806 -0.006031 1Rh 3py -0.017554 -0.001176 0.003940 0.000741 0.003852 0.012315 1Rh 4pz 0.032105 0.001397 0.025675 -0.015098 0.021297 0.031367 1Rh 4px 0.002720 -0.000527 -0.078182 0.036577 -0.058718 0.009197 1Rh 4py 0.044097 0.002419 -0.008733 -0.002417 -0.008043 -0.020701 1Rh 5pz -0.039768 -0.002029 -0.036070 0.026851 -0.027873 -0.020210 1Rh 5px -0.003957 0.000831 0.110208 -0.067123 0.075558 -0.002592 1Rh 5py -0.054499 -0.002573 0.012931 0.002229 0.008961 0.012666 1Rh 6pz -0.031005 0.006923 0.144713 -0.326988 0.153877 0.359844 1Rh 6px 0.011160 0.000482 -0.359773 0.942457 -0.419080 0.127296 1Rh 6py -0.061718 -0.016959 -0.018276 0.088696 -0.047936 -0.232533 1Rh 1dz2 -0.001274 -0.002812 0.000431 -0.000836 0.000102 -0.000120 1Rh 1dxz 0.002824 -0.000034 0.000479 -0.001052 0.000143 0.000278 1Rh 1dyz -0.000351 -0.007902 0.000359 -0.000408 0.000084 0.000145 1Rh 1dx2y2 -0.000654 -0.001247 -0.000755 0.001726 -0.000171 0.000140 1Rh 1dxy 0.004111 -0.003004 -0.001023 0.001139 -0.000228 -0.000118 1Rh 2dz2 0.003488 0.007924 -0.001461 0.002829 -0.000164 0.000439 1Rh 2dxz -0.007810 0.000105 -0.001629 0.003566 -0.000240 -0.000919 1Rh 2dyz 0.000918 0.022262 -0.001200 0.001369 -0.000241 -0.000494 1Rh 2dx2y2 0.001814 0.003518 0.002558 -0.005839 0.000213 -0.000535 1Rh 2dxy -0.011373 0.008465 0.003429 -0.003827 0.000624 0.000388 1Rh 3dz2 -0.005262 -0.012961 0.002994 -0.005881 -0.000689 -0.001123 1Rh 3dxz 0.012222 -0.000232 0.003343 -0.007420 -0.000893 0.001805 1Rh 3dyz -0.001133 -0.036476 0.002412 -0.002794 0.000254 0.001054 1Rh 3dx2y2 -0.002880 -0.005792 -0.005220 0.012096 0.001648 0.001480 1Rh 3dxy 0.017812 -0.013868 -0.006949 0.007820 -0.000461 -0.000756 1Rh 4dz2 0.005268 0.015534 -0.004121 0.010169 0.005939 0.003157 1Rh 4dxz -0.014570 0.000789 -0.004255 0.012683 0.007948 -0.003200 1Rh 4dyz -0.000195 0.044783 -0.003723 0.004709 0.000692 -0.002170 1Rh 4dx2y2 0.003660 0.007313 0.006654 -0.020607 -0.012500 -0.004441 1Rh 4dxy -0.021279 0.016950 0.011052 -0.013263 -0.002963 0.001418 1Rh 5dz2 -0.002547 -0.004868 -0.006806 -0.021889 -0.015733 -0.009153 1Rh 5dxz 0.020539 -0.003405 -0.012392 -0.025777 -0.020628 0.013436 1Rh 5dyz 0.007878 -0.021104 0.002259 -0.008818 -0.003026 0.007802 1Rh 5dx2y2 -0.006478 -0.004626 0.018469 0.041724 0.032266 0.010978 1Rh 5dxy 0.029323 -0.007189 -0.008963 0.026454 0.009009 -0.007399 1Rh 1f0 -0.002380 -0.001439 -0.002214 0.003878 0.000621 -0.000076 1Rh 1f+1 -0.001881 0.001658 0.001618 -0.003128 -0.000542 -0.001306 1Rh 1f-1 -0.006990 -0.001965 0.000463 -0.001049 0.000003 -0.000262 1Rh 1f+2 0.002416 -0.001153 0.002939 -0.005594 -0.000489 0.000936 1Rh 1f-2 -0.003804 0.003704 0.000856 -0.001938 -0.000212 0.001009 1Rh 1f+3 0.000587 -0.000348 0.003359 -0.006306 -0.000865 -0.001371 1Rh 1f-3 -0.002202 -0.002268 0.001623 -0.003103 -0.000614 0.000625 2C 1s 0.038407 0.035874 -0.000587 0.000292 0.000669 -0.001120 2C 2s -0.048798 -0.046118 0.000961 -0.000591 -0.001311 0.002200 2C 3s 0.112902 0.118741 0.038572 0.006636 0.009035 -0.004415 2C 4s -0.927900 -0.848345 -0.239414 -0.025950 -0.040351 -0.025276 2C 5s 0.767691 0.381204 0.442873 0.012692 0.163379 0.081459 2C 1pz -0.006651 -0.002077 0.001975 -0.000101 -0.000703 -0.001260 2C 1px -0.006302 -0.004642 0.000829 0.002042 0.000436 -0.001745 2C 1py -0.004277 -0.001251 0.000844 0.000474 -0.000219 -0.001226 2C 2pz -0.498350 -0.440226 -0.113996 -0.008215 -0.008901 -0.020923 2C 2px -0.035080 -0.033506 -0.033679 0.006629 0.020079 -0.001411 2C 2py -0.337594 -0.296998 -0.073280 0.000180 0.002991 -0.014602 2C 3pz 0.175627 0.085642 0.090888 -0.010671 -0.004234 0.036508 2C 3px 0.093314 0.059438 0.031588 0.011380 0.073336 -0.028245 2C 3py 0.127652 0.056882 0.060123 -0.000715 0.024414 0.005509 2C 1dz2 -0.000426 -0.002574 -0.003067 -0.000725 0.001471 -0.001654 2C 1dxz 0.000694 -0.000521 -0.001734 0.001568 -0.001392 0.000955 2C 1dyz -0.007107 -0.007701 -0.004757 -0.000383 -0.000561 -0.000638 2C 1dx2y2 -0.002958 -0.001309 0.001769 -0.000208 -0.001645 0.001228 2C 1dxy -0.003912 -0.003675 -0.000873 0.000963 -0.001196 -0.000688 2C 2dz2 -0.073432 -0.065176 -0.026335 -0.004105 -0.012669 -0.000213 2C 2dxz -0.083939 -0.070367 -0.003688 0.001414 0.019145 -0.016805 2C 2dyz -0.055452 -0.056510 -0.042142 0.000350 -0.003127 -0.003141 2C 2dx2y2 0.083176 0.071120 0.006348 0.003828 0.003129 0.006907 2C 2dxy 0.001514 -0.000016 -0.007437 0.000977 0.013060 -0.003299 2C 1f0 0.011066 0.007296 -0.002550 -0.001759 0.001060 -0.001258 2C 1f+1 0.019806 0.012825 -0.002809 0.001270 -0.001757 -0.000223 2C 1f-1 0.054525 0.039400 -0.006946 -0.001397 -0.000120 -0.000501 2C 1f+2 -0.030336 -0.020897 0.005408 0.001190 0.000522 0.000731 2C 1f-2 0.012750 0.008430 -0.002726 0.001511 -0.002674 0.000507 2C 1f+3 0.012098 0.009294 0.000407 0.001317 -0.000635 -0.000237 2C 1f-3 0.012313 0.008124 -0.001650 -0.000018 -0.000005 -0.000696 3C 1s -0.011963 -0.036603 -0.000766 -0.000114 0.000751 -0.001209 3C 2s 0.015050 0.047096 0.001311 0.000233 -0.001481 0.002373 3C 3s -0.035557 -0.118305 0.036728 -0.002650 0.008759 -0.005212 3C 4s 0.332572 0.835560 -0.230946 0.008389 -0.029749 -0.024356 3C 5s -0.219454 -0.375419 0.428309 0.009313 0.104857 0.045070 3C 1pz 0.000329 -0.001186 0.000544 -0.000739 -0.000331 0.000074 3C 1px 0.002000 0.003442 0.000975 0.001590 0.000698 -0.001747 3C 1py -0.003013 -0.003136 -0.002159 0.000603 -0.000174 0.001719 3C 2pz 0.118249 0.285844 -0.059139 -0.001897 -0.004315 -0.015284 3C 2px 0.056275 0.129380 -0.044292 0.011044 0.020317 -0.026781 3C 2py -0.186998 -0.418430 0.116088 -0.000427 0.005601 0.017996 3C 3pz 0.017346 -0.024220 0.051563 0.001845 -0.017501 0.036085 3C 3px -0.031517 -0.055781 0.032417 0.009921 0.073945 -0.072447 3C 3py 0.089612 0.097227 -0.094492 0.000232 0.004569 -0.032460 3C 1dz2 -0.004557 -0.003417 0.000491 -0.000672 0.000338 -0.000221 3C 1dxz -0.000960 0.000572 -0.001965 0.000888 0.000654 -0.000403 3C 1dyz -0.002133 -0.007268 0.003953 0.000548 -0.000571 0.002146 3C 1dx2y2 0.000024 -0.000611 0.003462 0.000730 -0.001654 0.002763 3C 1dxy -0.000441 -0.003520 0.002567 -0.001416 0.002272 -0.002405 3C 2dz2 0.009831 0.002820 0.010008 -0.000091 -0.004702 0.004347 3C 2dxz 0.029574 0.058506 -0.010097 -0.001825 0.008445 -0.015406 3C 2dyz -0.015036 -0.030809 0.038481 -0.001389 0.011862 -0.009053 3C 2dx2y2 -0.035935 -0.092242 0.019889 0.002923 0.010599 -0.001537 3C 2dxy -0.026031 -0.060759 0.019800 -0.003594 -0.019412 0.027425 3C 1f0 0.012507 0.023064 0.002773 -0.000234 0.000396 -0.000412 3C 1f+1 -0.001583 -0.002770 -0.000838 0.000253 -0.000119 -0.000064 3C 1f-1 0.003945 0.008430 0.000294 0.000817 -0.000932 0.001045 3C 1f+2 0.012474 0.022539 0.005637 0.001434 -0.000680 0.001587 3C 1f-2 0.012216 0.021434 0.005239 -0.001422 0.002016 -0.001134 3C 1f+3 -0.012687 -0.023735 -0.004795 0.001548 -0.001713 0.000603 3C 1f-3 0.008428 0.015845 0.002463 0.001698 -0.001654 0.003232 4C 1s -0.929681 -0.706472 -0.002747 -0.000382 -0.000014 -0.003454 4C 2s 1.244366 0.947507 0.005669 0.000766 0.000065 0.007344 4C 3s -1.255337 -0.999252 -0.063029 -0.013063 0.001807 -0.004581 4C 4s -0.027147 0.156016 0.188324 0.063000 -0.009266 -0.047342 4C 5s -0.996837 -0.984797 -0.218008 -0.021115 -0.062239 -0.026111 4C 1pz -0.001835 -0.002932 0.006670 -0.003470 -0.005630 0.004656 4C 1px 0.001803 0.000563 -0.000051 0.008072 0.018305 -0.013928 4C 1py -0.005041 -0.003330 0.003485 0.001429 0.003606 -0.002436 4C 2pz -1.092381 -0.847252 -0.110010 0.023514 -0.223877 0.036523 4C 2px -0.199874 -0.145438 -0.036272 -0.045384 0.661900 -0.288336 4C 2py -0.716399 -0.558874 -0.076545 -0.004982 0.113705 -0.086577 4C 3pz 0.273657 -0.149293 0.233624 -0.003375 0.113491 0.038965 4C 3px 0.056659 -0.032132 0.020984 -0.078063 -0.196179 0.097046 4C 3py 0.161243 -0.103679 0.150503 -0.037349 -0.001139 0.060842 4C 1dz2 0.029163 0.020199 -0.002720 0.002228 -0.018793 0.009610 4C 1dxz 0.098350 0.070041 -0.003196 -0.004096 0.032719 -0.011929 4C 1dyz -0.080339 -0.058567 -0.005363 0.001188 -0.001183 -0.000815 4C 1dx2y2 -0.164952 -0.117511 0.002759 0.000882 0.001790 -0.005067 4C 1dxy -0.095876 -0.068998 -0.000678 -0.002483 0.024360 -0.017612 4C 2dz2 0.327981 0.273552 0.044940 -0.016963 -0.137364 0.080635 4C 2dxz 0.354442 0.297027 0.015688 0.021665 0.241864 -0.086133 4C 2dyz 0.229961 0.196318 0.075465 -0.000642 -0.006022 0.010796 4C 2dx2y2 -0.489450 -0.403619 -0.016908 0.005301 0.013837 -0.040484 4C 2dxy -0.118996 -0.093128 0.013534 0.023331 0.180794 -0.075038 4C 1f0 0.059957 0.044090 -0.003022 0.001026 0.000059 0.001380 4C 1f+1 0.138226 0.101730 -0.007797 -0.002695 0.005293 -0.000313 4C 1f-1 -0.005367 -0.009080 -0.007473 -0.001598 -0.015108 0.005582 4C 1f+2 -0.104680 -0.076289 0.007962 -0.001073 -0.020879 0.007248 4C 1f-2 -0.003821 -0.004303 -0.004162 -0.000558 0.022478 -0.010641 4C 1f+3 -0.017136 -0.014184 -0.000820 -0.002744 -0.018465 0.006793 4C 1f-3 0.121767 0.090418 -0.005098 -0.003856 -0.024413 0.012633 5C 1s 0.350761 0.697934 -0.002465 0.000423 0.000580 -0.003726 5C 2s -0.469491 -0.936040 0.005088 -0.000868 -0.001268 0.007973 5C 3s 0.469673 0.988350 -0.065710 0.009176 -0.001892 -0.003362 5C 4s 0.032655 -0.161104 0.210937 -0.036970 0.030490 -0.068676 5C 5s 0.356741 0.979737 -0.189752 0.017750 -0.056829 -0.016582 5C 1pz -0.004072 0.003602 0.003231 -0.002103 -0.006095 0.010779 5C 1px -0.000372 0.002168 0.003039 0.008423 0.018749 -0.033725 5C 1py -0.004599 -0.002449 -0.005961 0.001246 0.002909 -0.006363 5C 2pz 0.265613 0.493270 -0.062936 0.006991 -0.210219 0.179115 5C 2px 0.163667 0.300453 -0.033755 -0.037448 0.666772 -0.691588 5C 2py -0.393637 -0.825722 0.106826 -0.002491 0.118253 -0.061134 5C 3pz -0.101292 0.092096 0.140634 0.026221 0.078392 -0.039599 5C 3px -0.037321 0.056531 0.091849 -0.056623 -0.198509 0.226208 5C 3py 0.037954 -0.157924 -0.237993 -0.035010 -0.054134 -0.006363 5C 1dz2 -0.043806 -0.083021 -0.000666 0.001494 -0.012640 0.017286 5C 1dxz -0.035740 -0.067211 -0.002260 -0.001526 0.016081 -0.015458 5C 1dyz -0.044114 -0.082342 0.004176 -0.000991 0.014176 -0.013691 5C 1dx2y2 0.049652 0.091045 0.004935 -0.002279 0.020080 -0.027390 5C 1dxy 0.005350 0.009977 0.003298 0.003310 -0.032056 0.038055 5C 2dz2 -0.065033 -0.137178 -0.020003 -0.007495 -0.087832 0.103498 5C 2dxz -0.133120 -0.288209 0.018112 0.017763 0.121082 -0.108741 5C 2dyz 0.035698 0.084791 -0.066143 0.013760 0.107843 -0.117489 5C 2dx2y2 0.214790 0.445762 -0.033625 0.013749 0.146525 -0.182449 5C 2dxy 0.103237 0.227675 -0.043204 -0.029323 -0.234899 0.224762 5C 1f0 -0.026825 -0.054570 0.001736 0.002500 0.019126 -0.017199 5C 1f+1 -0.038347 -0.071405 -0.004380 -0.001854 -0.020524 0.022670 5C 1f-1 0.002375 0.003177 0.001272 0.000181 0.012325 -0.013426 5C 1f+2 -0.000672 -0.005886 0.005930 -0.002637 -0.004083 0.003626 5C 1f-2 0.033489 0.062727 0.007820 -0.003167 -0.031508 0.032340 5C 1f+3 -0.038158 -0.071407 -0.008286 -0.001818 -0.011309 0.010801 5C 1f-3 0.048119 0.093321 0.008612 -0.002691 0.008037 -0.011747 6C 1s -0.339476 0.698657 -0.002466 -0.000447 -0.000616 -0.003764 6C 2s 0.454384 -0.937009 0.005089 0.000918 0.001345 0.008056 6C 3s -0.454525 0.989325 -0.065553 -0.008759 0.001777 -0.003253 6C 4s -0.031487 -0.161092 0.209980 0.034044 -0.030771 -0.070326 6C 5s -0.345055 0.980087 -0.189515 -0.018470 0.057920 -0.014912 6C 1pz -0.004140 -0.003558 -0.003223 -0.002124 -0.006047 -0.010821 6C 1px -0.000389 -0.002187 -0.002982 0.008488 0.018622 0.033845 6C 1py -0.004560 0.002448 0.005962 0.001252 0.002872 0.006362 6C 2pz 0.257724 -0.493848 0.063183 0.007194 -0.209497 -0.179876 6C 2px 0.158567 -0.300736 0.032780 -0.036640 0.664607 0.694459 6C 2py -0.380506 0.826707 -0.107015 -0.002997 0.117404 0.061026 6C 3pz -0.098918 -0.091571 -0.139138 0.028074 0.077896 0.040608 6C 3px -0.036133 -0.056526 -0.092076 -0.056634 -0.197803 -0.228599 6C 3py 0.034897 0.157278 0.236021 -0.037609 -0.053491 0.006185 6C 1dz2 0.042356 -0.083069 -0.000676 -0.001452 0.012641 0.017408 6C 1dxz 0.034613 -0.067340 -0.002249 0.001561 -0.015990 -0.015474 6C 1dyz 0.042680 -0.082409 0.004176 0.000993 -0.014083 -0.013734 6C 1dx2y2 -0.048052 0.091161 0.004970 0.002216 -0.020037 -0.027526 6C 1dxy -0.005132 0.009908 0.003269 -0.003271 0.031917 0.038220 6C 2dz2 0.062816 -0.137170 -0.019962 0.007974 0.087614 0.104065 6C 2dxz 0.128887 -0.288813 0.018296 -0.017692 -0.120382 -0.108971 6C 2dyz -0.034410 0.084806 -0.065935 -0.013657 -0.107523 -0.117879 6C 2dx2y2 -0.208037 0.446129 -0.033722 -0.014455 -0.146134 -0.183375 6C 2dxy -0.099953 0.228010 -0.043429 0.029486 0.234035 0.225628 6C 1f0 -0.025946 0.054576 -0.001773 0.002471 0.019074 0.017280 6C 1f+1 -0.037176 0.071510 0.004380 -0.001934 -0.020438 -0.022760 6C 1f-1 0.002295 -0.003161 -0.001278 0.000212 0.012293 0.013499 6C 1f+2 -0.000650 0.005937 -0.005909 -0.002621 -0.004105 -0.003658 6C 1f-2 0.032428 -0.062833 -0.007774 -0.003145 -0.031388 -0.032449 6C 1f+3 -0.036906 0.071441 0.008273 -0.001900 -0.011264 -0.010867 6C 1f-3 0.046525 -0.093406 -0.008583 -0.002580 0.008021 0.011837 7C 1s 0.935275 -0.710416 -0.002722 0.000396 -0.000027 -0.003407 7C 2s -1.251852 0.952794 0.005616 -0.000794 0.000021 0.007241 7C 3s 1.262344 -1.004536 -0.062603 0.012889 -0.001721 -0.004582 7C 4s 0.030385 0.155409 0.186531 -0.061529 0.007856 -0.046393 7C 5s 0.998948 -0.988462 -0.218319 0.022804 0.063011 -0.026140 7C 1pz -0.001896 0.002988 -0.006661 -0.003479 -0.005594 -0.004664 7C 1px 0.001773 -0.000550 0.000054 0.008178 0.018206 0.013906 7C 1py -0.004901 0.003209 -0.003547 0.001453 0.003587 0.002408 7C 2pz -1.098091 0.850887 0.109617 0.022682 -0.222548 -0.037703 7C 2px -0.199038 0.144795 0.037300 -0.045700 0.660394 0.290179 7C 2py -0.724086 0.564510 0.077407 -0.005556 0.113601 0.086657 7C 3pz 0.275050 0.148918 -0.233160 -0.004557 0.113884 -0.036982 7C 3px 0.056929 0.031587 -0.019910 -0.078823 -0.196017 -0.097539 7C 3py 0.163255 0.103061 -0.150814 -0.038424 -0.000574 -0.059767 7C 1dz2 -0.029870 0.020734 -0.002706 -0.002219 0.018708 0.009624 7C 1dxz -0.099158 0.070592 -0.003241 0.004078 -0.032547 -0.012037 7C 1dyz 0.081176 -0.059154 -0.005363 -0.001165 0.001169 -0.000768 7C 1dx2y2 0.165778 -0.118013 0.002754 -0.000849 -0.001804 -0.004959 7C 1dxy 0.096374 -0.069313 -0.000707 0.002456 -0.024375 -0.017665 7C 2dz2 -0.329228 0.274188 0.044951 0.016751 0.136876 0.080659 7C 2dxz -0.356457 0.298284 0.015400 -0.022127 -0.240763 -0.087011 7C 2dyz -0.232036 0.197933 0.075598 0.000444 0.006347 0.010850 7C 2dx2y2 0.493706 -0.406792 -0.017267 -0.004876 -0.013876 -0.040098 7C 2dxy 0.119569 -0.093535 0.013163 -0.023149 -0.181030 -0.075609 7C 1f0 0.060636 -0.044587 0.002966 0.001023 0.000136 -0.001346 7C 1f+1 0.138983 -0.102240 0.007703 -0.002618 0.005140 0.000315 7C 1f-1 -0.005379 0.009104 0.007426 -0.001623 -0.015108 -0.005649 7C 1f+2 -0.105137 0.076532 -0.007993 -0.001092 -0.020825 -0.007359 7C 1f-2 -0.003447 0.004046 0.004178 -0.000539 0.022495 0.010730 7C 1f+3 -0.017516 0.014445 0.000793 -0.002741 -0.018344 -0.006815 7C 1f-3 0.122772 -0.091079 0.005032 -0.003810 -0.024339 -0.012643 8C 1s 0.011502 -0.036596 -0.000765 0.000109 -0.000774 -0.001233 8C 2s -0.014465 0.047087 0.001309 -0.000223 0.001528 0.002420 8C 3s 0.034281 -0.118400 0.036670 0.002566 -0.008970 -0.005466 8C 4s -0.321710 0.836478 -0.230638 -0.008233 0.030182 -0.023741 8C 5s 0.210927 -0.376151 0.425606 -0.012341 -0.105954 0.043176 8C 1pz 0.000321 0.001174 -0.000558 -0.000744 -0.000324 -0.000075 8C 1px 0.001971 -0.003525 -0.000978 0.001595 0.000708 0.001789 8C 1py -0.002906 0.003099 0.002160 0.000595 -0.000191 -0.001740 8C 2pz 0.114212 -0.285895 0.059252 -0.001843 -0.004166 0.015502 8C 2px 0.054035 -0.128604 0.044411 0.011087 0.020157 0.026452 8C 2py -0.181283 0.419398 -0.115945 -0.000333 0.005450 -0.018060 8C 3pz 0.017785 0.024349 -0.051359 0.002125 -0.017441 -0.036372 8C 3px -0.030683 0.056761 -0.032150 0.010251 0.073588 0.073063 8C 3py 0.086940 -0.097077 0.093928 -0.000300 0.004571 0.032390 8C 1dz2 0.004501 -0.003438 0.000483 0.000666 -0.000352 -0.000250 8C 1dxz 0.000916 0.000574 -0.001968 -0.000883 -0.000647 -0.000401 8C 1dyz 0.002037 -0.007268 0.003946 -0.000549 0.000573 0.002146 8C 1dx2y2 0.000003 -0.000603 0.003464 -0.000728 0.001664 0.002789 8C 1dxy 0.000409 -0.003546 0.002567 0.001416 -0.002237 -0.002386 8C 2dz2 -0.009842 0.003033 0.010007 0.000110 0.004665 0.004328 8C 2dxz -0.028862 0.058875 -0.010073 0.001782 -0.008496 -0.015641 8C 2dyz 0.014604 -0.030775 0.038417 0.001296 -0.011904 -0.009315 8C 2dx2y2 0.034551 -0.092150 0.019946 -0.002959 -0.010492 -0.001513 8C 2dxy 0.025299 -0.061035 0.019781 0.003579 0.019388 0.027576 8C 1f0 0.012136 -0.023113 -0.002766 -0.000210 0.000389 0.000412 8C 1f+1 -0.001570 0.002855 0.000816 0.000256 -0.000110 0.000069 8C 1f-1 0.003793 -0.008402 -0.000292 0.000821 -0.000923 -0.001046 8C 1f+2 0.012080 -0.022587 -0.005612 0.001446 -0.000651 -0.001567 8C 1f-2 0.011788 -0.021347 -0.005246 -0.001413 0.002020 0.001163 8C 1f+3 -0.012274 0.023794 0.004781 0.001547 -0.001699 -0.000599 8C 1f-3 0.008160 -0.015860 -0.002461 0.001696 -0.001641 -0.003212 9C 1s -0.038415 0.035894 -0.000579 -0.000302 -0.000694 -0.001108 9C 2s 0.048796 -0.046135 0.000946 0.000612 0.001360 0.002175 9C 3s -0.113185 0.119091 0.038566 -0.006810 -0.009259 -0.004343 9C 4s 0.932875 -0.852510 -0.239216 0.026934 0.040714 -0.025002 9C 5s -0.768811 0.382909 0.442414 -0.012830 -0.165746 0.078984 9C 1pz -0.006595 0.002029 -0.001960 -0.000100 -0.000688 0.001212 9C 1px -0.006373 0.004710 -0.000834 0.002057 0.000444 0.001692 9C 1py -0.004444 0.001373 -0.000886 0.000492 -0.000209 0.001227 9C 2pz -0.501732 0.442787 0.113546 -0.008616 -0.008642 0.020952 9C 2px -0.033943 0.032485 0.033672 0.006505 0.019940 0.001605 9C 2py -0.339630 0.298397 0.073975 -0.000234 0.003042 0.014399 9C 3pz 0.174663 -0.085435 -0.090475 -0.010770 -0.003974 -0.035983 9C 3px 0.094198 -0.060199 -0.031768 0.011442 0.073145 0.028420 9C 3py 0.130079 -0.058290 -0.060507 -0.000800 0.024443 -0.005374 9C 1dz2 0.000399 -0.002570 -0.003052 0.000737 -0.001458 -0.001640 9C 1dxz -0.000693 -0.000538 -0.001728 -0.001573 0.001343 0.000951 9C 1dyz 0.007155 -0.007733 -0.004753 0.000398 0.000526 -0.000646 9C 1dx2y2 0.002993 -0.001322 0.001783 0.000205 0.001623 0.001239 9C 1dxy 0.003953 -0.003714 -0.000874 -0.000957 0.001259 -0.000623 9C 2dz2 0.072885 -0.064592 -0.026184 0.004175 0.012567 -0.000100 9C 2dxz 0.084556 -0.070701 -0.003468 -0.001237 -0.019165 -0.016824 9C 2dyz 0.056321 -0.057226 -0.042293 -0.000173 0.003234 -0.003137 9C 2dx2y2 -0.084525 0.072229 0.006440 -0.003863 -0.002953 0.006891 9C 2dxy -0.001501 -0.000071 -0.007401 -0.001133 -0.013162 -0.003470 9C 1f0 0.010864 -0.007161 0.002501 -0.001751 0.001046 0.001237 9C 1f+1 0.019670 -0.012711 0.002797 0.001246 -0.001738 0.000181 9C 1f-1 0.054913 -0.039663 0.006929 -0.001414 -0.000132 0.000509 9C 1f+2 -0.030572 0.021028 -0.005470 0.001209 0.000555 -0.000724 9C 1f-2 0.012794 -0.008451 0.002680 0.001515 -0.002660 -0.000506 9C 1f+3 0.012055 -0.009267 -0.000403 0.001310 -0.000631 0.000240 9C 1f-3 0.012777 -0.008471 0.001640 -0.000008 0.000012 0.000706 10H 1s -0.018370 -0.012618 0.003482 0.002127 -0.000039 -0.000571 10H 2s -0.076883 -0.066268 0.007629 -0.008732 0.008743 -0.017116 10H 3s -0.060822 -0.042524 -0.040922 -0.001587 -0.049004 0.013711 10H 1pz 0.010433 0.007232 0.003806 -0.000596 0.002512 -0.002246 10H 1px 0.034393 0.026610 -0.003475 -0.000190 -0.003110 0.003074 10H 1py 0.007984 0.005527 0.002114 -0.000368 0.000795 -0.001814 11H 1s 0.007731 0.006825 0.001021 -0.000309 0.001212 0.001621 11H 2s 0.058146 0.045654 -0.011777 0.002970 -0.005712 0.004253 11H 3s -0.011260 -0.008422 -0.022084 -0.010081 -0.015215 -0.002614 11H 1pz 0.018211 0.014917 0.002654 -0.000067 -0.001237 0.001496 11H 1px 0.007493 0.006245 -0.000416 0.000983 0.000225 0.000897 11H 1py 0.023110 0.017919 0.001986 -0.000314 -0.000605 0.000443 12H 1s -0.001268 0.000231 0.001982 -0.000964 0.001858 -0.001006 12H 2s 0.026083 0.018501 -0.008047 0.008650 -0.006286 0.005117 12H 3s -0.016862 -0.015585 -0.027253 -0.013109 -0.007887 -0.013787 12H 1pz 0.032019 0.024600 0.002338 -0.000366 -0.001359 0.001389 12H 1px 0.011469 0.009228 -0.000151 0.000838 -0.000634 0.001947 12H 1py 0.001801 0.002048 0.002458 0.001338 -0.000829 0.001383 13H 1s 0.006534 0.011473 0.002980 0.001809 -0.000031 -0.000672 13H 2s 0.023196 0.057803 0.002030 -0.012396 0.009921 -0.017808 13H 3s 0.020949 0.039246 -0.028112 0.011154 -0.042866 0.029030 13H 1pz 0.003781 0.008619 0.003345 -0.001083 0.002655 -0.004020 13H 1px -0.010253 -0.022093 -0.000993 0.000747 -0.002296 0.002712 13H 1py 0.007368 0.013975 -0.002555 0.000826 -0.001808 0.002237 14H 1s 0.001888 0.002257 0.002007 -0.001412 0.001864 -0.000297 14H 2s -0.007386 -0.005529 -0.001376 0.007541 -0.005727 -0.000576 14H 3s 0.015184 0.022619 -0.030432 -0.005442 0.000784 -0.012985 14H 1pz 0.000410 0.001452 0.003098 0.000443 -0.000277 -0.000495 14H 1px -0.002279 -0.002791 0.001996 0.000732 -0.001308 0.001982 14H 1py 0.012325 0.025935 -0.001652 -0.000114 0.001439 -0.002183 15H 1s -0.003181 -0.008101 0.000607 -0.000508 0.000484 0.000968 15H 2s -0.015368 -0.047755 -0.010734 0.003016 -0.006196 0.008030 15H 3s -0.031955 0.005811 -0.021255 -0.003887 -0.010819 -0.006645 15H 1pz -0.008775 -0.013131 0.002195 -0.000453 -0.000487 0.000380 15H 1px -0.004780 -0.010702 0.000609 0.000580 0.000177 0.000816 15H 1py 0.005421 0.015323 -0.002625 -0.000007 0.001380 -0.002279 16H 1s -0.000470 -0.003193 -0.069602 -0.069448 0.006464 0.000098 16H 2s 0.016510 0.030826 -0.044742 -0.026990 -0.016520 0.004588 16H 3s -0.001909 0.005356 0.084329 0.061464 0.005617 -0.010291 16H 1pz 0.005279 0.007139 -0.070439 -0.069145 0.001951 0.001641 16H 1px -0.002847 -0.004713 -0.001271 -0.001155 0.001004 0.001650 16H 1py 0.001184 0.003009 -0.038489 -0.038970 0.003225 0.000226 17H 1s -0.000386 0.002450 -0.069554 -0.069550 0.006614 0.000657 17H 2s 0.012155 -0.025565 -0.049200 -0.029662 -0.013841 -0.015872 17H 3s -0.000224 -0.004824 0.081967 0.058433 0.003683 0.013086 17H 1pz -0.001176 0.001590 0.047408 0.045964 -0.001962 0.004735 17H 1px -0.002980 0.007069 0.042656 0.041752 -0.001377 0.000183 17H 1py 0.001301 -0.003847 -0.050158 -0.050218 0.004214 -0.001899 18H 1s 0.000382 0.002330 -0.069459 0.069682 -0.006590 0.000424 18H 2s -0.012185 -0.024338 -0.049327 0.030263 0.013375 -0.013262 18H 3s 0.000525 -0.004686 0.081753 -0.058424 -0.003719 0.013447 18H 1pz -0.001229 -0.001553 -0.048631 0.047356 -0.002027 -0.004495 18H 1px -0.002946 -0.006828 -0.042819 0.042153 -0.001529 0.000363 18H 1py 0.001191 0.003644 0.048724 -0.049026 0.004217 0.001622 19H 1s 0.000433 -0.003258 -0.069497 0.069566 -0.006420 -0.000070 19H 2s -0.016509 0.031561 -0.044439 0.026788 0.016599 0.007144 19H 3s 0.002167 0.005443 0.084455 -0.061800 -0.005524 -0.009644 19H 1pz 0.005241 -0.007229 0.069396 -0.068347 0.001901 -0.002275 19H 1px -0.002878 0.004797 0.000718 -0.000627 0.001048 -0.001357 19H 1py 0.001339 -0.003148 0.039948 -0.040483 0.003147 -0.000379 20H 1s 0.003038 -0.008044 0.000615 0.000518 -0.000494 0.000961 20H 2s 0.014686 -0.047621 -0.010589 -0.002916 0.006331 0.008365 20H 3s 0.031560 0.005807 -0.021138 0.004199 0.010945 -0.006682 20H 1pz -0.008567 0.013207 -0.002177 -0.000447 -0.000488 -0.000372 20H 1px -0.004648 0.010812 -0.000592 0.000567 0.000136 -0.000885 20H 1py 0.005218 -0.015308 0.002651 0.000017 0.001398 0.002339 21H 1s -0.001737 0.002086 0.001985 0.001397 -0.001870 -0.000296 21H 2s 0.007715 -0.006507 -0.001526 -0.007460 0.005732 -0.000280 21H 3s -0.014816 0.022288 -0.030094 0.005666 -0.000291 -0.012700 21H 1pz 0.000346 -0.001393 -0.003084 0.000450 -0.000267 0.000485 21H 1px -0.002379 0.003075 -0.001945 0.000721 -0.001296 -0.002032 21H 1py 0.011880 -0.025924 0.001671 -0.000099 0.001450 0.002216 22H 1s -0.006370 0.011574 0.002973 -0.001836 0.000000 -0.000709 22H 2s -0.022767 0.058485 0.002040 0.012420 -0.010109 -0.018416 22H 3s -0.020250 0.039590 -0.027931 -0.010966 0.043180 0.029871 22H 1pz 0.003622 -0.008528 -0.003309 -0.001071 0.002678 0.004103 22H 1px -0.010023 0.022336 0.001014 0.000752 -0.002337 -0.002814 22H 1py 0.007021 -0.013745 0.002554 0.000827 -0.001821 -0.002328 23H 1s 0.000871 0.000535 0.001941 0.000928 -0.001839 -0.000992 23H 2s -0.028140 0.020401 -0.008299 -0.008336 0.006329 0.005347 23H 3s 0.015678 -0.015161 -0.027021 0.013151 0.008687 -0.013542 23H 1pz 0.031977 -0.024565 -0.002364 -0.000390 -0.001372 -0.001379 23H 1px 0.011803 -0.009502 0.000198 0.000816 -0.000620 -0.001924 23H 1py 0.002326 -0.002544 -0.002401 0.001297 -0.000828 -0.001415 24H 1s -0.007460 0.006627 0.001040 0.000316 -0.001246 0.001592 24H 2s -0.057907 0.045274 -0.011781 -0.003076 0.005900 0.004130 24H 3s 0.011201 -0.008340 -0.021999 0.010325 0.015258 -0.002504 24H 1pz 0.018162 -0.014856 -0.002664 -0.000061 -0.001249 -0.001453 24H 1px 0.007515 -0.006251 0.000443 0.000989 0.000165 -0.000933 24H 1py 0.023639 -0.018326 -0.001965 -0.000316 -0.000640 -0.000492 25H 1s 0.018648 -0.012802 0.003517 -0.002156 -0.000000 -0.000567 25H 2s 0.078193 -0.067332 0.007758 0.008854 -0.008944 -0.017196 25H 3s 0.061336 -0.042891 -0.041086 0.001682 0.049440 0.014012 25H 1pz 0.009980 -0.006868 -0.003842 -0.000594 0.002541 0.002284 25H 1px 0.034640 -0.026787 0.003499 -0.000186 -0.003152 -0.003091 25H 1py 0.008668 -0.006053 -0.002057 -0.000377 0.000776 0.001743 26O 1s 0.015204 0.010241 -0.037741 0.035866 0.488375 -0.333173 26O 2s 0.002240 0.001750 0.046266 -0.044115 -0.603976 0.412675 26O 3s -0.302775 -0.212943 -0.043099 0.044998 0.649913 -0.444586 26O 4s 0.926678 0.637458 0.055841 -0.066479 -0.979797 0.655496 26O 5s 0.356231 0.526166 -0.079935 0.048422 0.202637 -0.261845 26O 1pz 0.010339 0.007179 0.000877 -0.000146 -0.001158 0.000212 26O 1px 0.078797 0.059857 0.000779 -0.001707 -0.028620 0.017417 26O 1py 0.035379 0.026902 0.000485 -0.000542 -0.011841 0.006457 26O 2pz -0.089690 -0.069952 -0.002409 0.002672 0.009293 -0.003664 26O 2px -0.614597 -0.462407 0.008390 0.025210 0.241110 -0.135144 26O 2py -0.284449 -0.216092 0.002597 0.009216 0.098117 -0.052071 26O 3pz -0.106508 -0.041334 -0.040559 -0.047439 -0.015183 -0.019591 26O 3px -0.128321 -0.124743 -0.060329 -0.145433 0.146241 -0.034553 26O 3py -0.110873 -0.075317 -0.045804 -0.073994 0.039843 -0.081049 26O 1dz2 0.013383 0.009777 0.000644 -0.000199 -0.006328 0.004223 26O 1dxz -0.009190 -0.007893 0.001214 0.003461 0.000448 -0.002134 26O 1dyz 0.003492 0.002197 0.000336 -0.000218 -0.004321 0.002528 26O 1dx2y2 -0.008073 -0.005903 -0.000872 -0.000653 0.004550 -0.003538 26O 1dxy -0.013292 -0.010061 -0.000157 0.001356 0.003070 -0.002643 26O 2dz2 -0.169662 -0.124691 0.000539 0.001537 0.048790 -0.027475 26O 2dxz 0.075595 0.061092 -0.001680 -0.010219 -0.005454 0.009735 26O 2dyz 0.011430 0.011173 -0.000614 -0.000503 0.010771 -0.006209 26O 2dx2y2 0.175895 0.129147 -0.001415 0.000079 -0.051351 0.030847 26O 2dxy 0.212897 0.159256 -0.001699 -0.005658 -0.045891 0.029906 26O 1f0 0.019450 0.015183 0.000712 0.000843 -0.002526 0.001062 26O 1f+1 0.069575 0.051465 -0.000221 -0.000472 -0.009299 0.005962 26O 1f-1 0.033955 0.025766 0.000602 0.000222 -0.003384 0.002592 26O 1f+2 -0.022734 -0.017513 -0.000963 -0.000424 0.004562 -0.001783 26O 1f-2 -0.012213 -0.009626 -0.000224 -0.001455 -0.000108 -0.000299 26O 1f+3 0.028652 0.021015 -0.000515 -0.000547 -0.002399 0.001428 26O 1f-3 0.090234 0.067030 0.000191 0.000837 -0.009861 0.006562 27O 1s -0.005845 -0.010096 -0.005027 0.047673 0.506621 -0.710867 27O 2s -0.000852 -0.001743 0.006166 -0.058610 -0.626526 0.880474 27O 3s 0.116502 0.210888 -0.003734 0.057627 0.673913 -0.949554 27O 4s -0.358761 -0.632646 0.004702 -0.081023 -1.012386 1.410660 27O 5s -0.149807 -0.531121 -0.079048 0.102708 0.192678 -0.543470 27O 1pz -0.000104 0.002677 0.000716 0.000346 0.002422 -0.004308 27O 1px -0.032494 -0.063515 -0.001123 -0.001781 -0.031988 0.038046 27O 1py 0.006469 0.013915 -0.000282 0.001053 0.004865 -0.004131 27O 2pz -0.004513 -0.012513 -0.004169 -0.003016 -0.022155 0.032835 27O 2px 0.256463 0.496171 0.022163 0.020056 0.267351 -0.307818 27O 2py -0.061058 -0.123867 -0.001879 -0.006395 -0.041433 0.038751 27O 3pz 0.021185 0.009732 -0.010414 0.003908 -0.035001 -0.015563 27O 3px 0.070789 0.135992 -0.044046 -0.150707 0.147061 -0.138412 27O 3py -0.048078 -0.055592 0.040181 0.059863 -0.004786 0.099001 27O 1dz2 -0.002835 -0.005741 -0.000119 -0.000786 -0.002238 0.003622 27O 1dxz 0.000051 0.002426 0.000269 0.001306 -0.001369 0.000654 27O 1dyz 0.002937 0.005703 -0.000198 0.001181 0.004845 -0.007683 27O 1dx2y2 0.006337 0.012020 -0.000535 0.000114 0.008148 -0.012017 27O 1dxy -0.004774 -0.008967 -0.000655 -0.002236 -0.000773 0.002349 27O 2dz2 0.060269 0.116341 0.003870 0.002061 0.037957 -0.046131 27O 2dxz 0.007032 0.004251 0.002081 -0.003489 0.013080 -0.012080 27O 2dyz -0.010610 -0.019246 0.000592 -0.002801 -0.015266 0.023016 27O 2dx2y2 -0.099112 -0.189396 -0.005269 0.000142 -0.075763 0.094629 27O 2dxy 0.053999 0.104071 0.001148 0.006008 0.020072 -0.028126 27O 1f0 0.004351 0.006991 0.000420 0.000553 -0.000043 -0.001154 27O 1f+1 -0.026935 -0.052512 -0.000252 0.000828 -0.008301 0.010500 27O 1f-1 0.005709 0.011456 -0.000147 -0.000525 0.001211 -0.001561 27O 1f+2 -0.002724 -0.003306 -0.000769 -0.000202 -0.000599 0.000944 27O 1f-2 0.005448 0.009933 -0.000265 0.000596 0.004156 -0.004909 27O 1f+3 -0.030520 -0.060025 -0.001012 -0.000271 -0.010263 0.013300 27O 1f-3 0.023510 0.045111 -0.000790 -0.001404 0.007548 -0.008802 28O 1s 0.015019 0.010330 -0.001670 -0.044489 -0.489055 0.196151 28O 2s 0.002312 0.001789 0.002057 0.054680 0.604808 -0.242945 28O 3s -0.303886 -0.216774 -0.000188 -0.053018 -0.651901 0.263131 28O 4s 0.943808 0.659732 0.001406 0.075125 0.985853 -0.402751 28O 5s 0.375910 0.556051 -0.057744 -0.126865 -0.176622 0.168395 28O 1pz 0.055521 0.041305 0.000268 0.001231 0.018686 -0.004607 28O 1px -0.067600 -0.052065 0.001578 -0.001020 -0.025666 0.007698 28O 1py 0.007671 0.005440 0.000234 0.000874 0.001601 0.000403 28O 2pz -0.449098 -0.341600 0.008014 -0.010723 -0.158717 0.044669 28O 2px 0.526136 0.400022 -0.018759 0.012384 0.216555 -0.072243 28O 2py -0.072418 -0.055805 -0.000528 -0.004178 -0.014021 -0.001338 28O 3pz -0.208894 -0.138509 -0.041337 0.120493 -0.071201 0.018336 28O 3px 0.076602 0.103392 0.033090 -0.120608 0.129769 -0.049535 28O 3py -0.092712 -0.041623 -0.021931 0.041310 0.002963 0.048482 28O 1dz2 -0.003222 -0.003609 0.000637 -0.001127 0.001401 -0.000438 28O 1dxz 0.020150 0.015469 0.000029 0.001182 0.007141 -0.002930 28O 1dyz 0.003535 0.001700 0.000451 -0.000353 0.004239 -0.003230 28O 1dx2y2 -0.006668 -0.004418 -0.000621 0.001337 -0.003874 0.001277 28O 1dxy 0.009377 0.007294 -0.000395 0.001725 0.002751 -0.001134 28O 2dz2 0.040531 0.036019 -0.000037 0.002930 -0.001711 0.001488 28O 2dxz -0.290396 -0.218263 0.004615 -0.001168 -0.073393 0.024037 28O 2dyz 0.019414 0.019042 -0.000350 0.000964 -0.008118 0.009050 28O 2dx2y2 0.154205 0.112225 -0.003372 -0.004745 0.046340 -0.017227 28O 2dxy -0.064406 -0.049491 -0.000365 -0.004069 -0.013093 0.005114 28O 1f0 0.041164 0.030258 -0.000444 0.000031 0.005464 -0.002313 28O 1f+1 0.060236 0.045754 0.000530 -0.001414 0.007741 -0.001746 28O 1f-1 0.001219 0.001392 -0.000013 0.001124 0.001275 -0.001130 28O 1f+2 -0.090236 -0.067219 0.000512 0.000560 -0.010491 0.003243 28O 1f-2 0.020937 0.016042 0.000764 -0.001051 0.001129 -0.000421 28O 1f+3 -0.039396 -0.028830 0.000958 0.000047 -0.003920 0.000659 28O 1f-3 0.021443 0.016103 0.000687 -0.000408 0.004648 -0.002162 29O 1s 0.000123 0.000114 -0.977174 -0.980810 0.080159 0.003490 29O 2s -0.000064 -0.000022 1.198172 1.206997 -0.099199 -0.004306 29O 3s 0.001287 -0.000787 -1.170438 -1.215102 0.108147 0.003535 29O 4s -0.003295 0.002528 1.406302 1.535074 -0.185469 -0.001074 29O 5s -0.019356 -0.007145 -0.848150 -1.093883 0.289151 -0.001823 29O 1pz -0.000707 0.000074 0.004124 0.001555 -0.001339 -0.001029 29O 1px 0.000369 0.000057 -0.005954 0.000555 0.005033 -0.001594 29O 1py -0.000793 0.000057 0.019356 0.018219 0.000643 0.000307 29O 2pz 0.005383 0.009083 -0.028082 -0.017459 0.001749 0.004564 29O 2px -0.003216 0.002842 0.046037 0.017917 -0.011057 0.006433 29O 2py 0.006342 -0.000597 -0.119553 -0.115347 0.000647 -0.000965 29O 3pz -0.002149 0.024070 -0.028096 -0.064226 0.027808 0.022519 29O 3px 0.001992 0.009871 0.116307 0.217006 -0.082392 0.011749 29O 3py 0.005858 -0.001631 0.085819 0.101843 -0.022124 -0.019175 29O 1dz2 0.000510 -0.000396 -0.005613 -0.005176 0.001547 -0.000993 29O 1dxz 0.000201 -0.000099 -0.005719 -0.005529 0.002756 0.001213 29O 1dyz -0.000003 -0.000293 -0.001316 -0.001303 0.000286 0.000884 29O 1dx2y2 0.000119 -0.000268 0.005768 0.006022 -0.003871 0.000908 29O 1dxy -0.000087 -0.000382 0.005617 0.005227 -0.000864 -0.000953 29O 2dz2 -0.003118 -0.002060 0.046535 0.044703 -0.006237 0.002123 29O 2dxz -0.001775 0.002310 0.036872 0.035645 -0.009286 -0.002193 29O 2dyz -0.000879 -0.005098 0.007908 0.007741 -0.000646 -0.004235 29O 2dx2y2 0.000339 0.001109 -0.018081 -0.018224 0.011387 -0.002550 29O 2dxy 0.000829 -0.001403 -0.042760 -0.040712 0.004197 0.001542 29O 1f0 0.000395 0.000813 -0.020825 -0.020916 0.000859 -0.000097 29O 1f+1 -0.000041 0.000998 0.008743 0.009037 -0.000544 -0.000592 29O 1f-1 0.000798 0.000679 -0.022016 -0.021151 0.001035 0.000537 29O 1f+2 -0.000284 -0.000470 0.008620 0.009234 0.000152 0.000615 29O 1f-2 0.000425 -0.001064 -0.014345 -0.013514 0.000901 -0.000799 29O 1f+3 -0.000272 0.000565 0.005679 0.006283 0.000649 -0.000071 29O 1f-3 -0.000203 0.000588 0.007212 0.007469 -0.000289 0.000718 30O 1s -0.005644 -0.010124 -0.029938 -0.033337 -0.481583 0.561458 30O 2s -0.000870 -0.001753 0.036693 0.041002 0.595565 -0.695405 30O 3s 0.114188 0.211911 -0.033351 -0.041937 -0.641552 0.751662 30O 4s -0.354448 -0.640892 0.044425 0.063749 0.971341 -1.136511 30O 5s -0.142345 -0.545635 -0.104459 -0.042155 -0.197786 0.478681 30O 1pz -0.017449 -0.031833 0.000623 0.000880 0.014362 -0.012344 30O 1px 0.023142 0.046988 0.000564 -0.001260 -0.023265 0.022618 30O 1py 0.016354 0.033067 -0.000716 -0.001043 -0.014201 0.010972 30O 2pz 0.132369 0.256834 0.005426 -0.014712 -0.121200 0.108502 30O 2px -0.178921 -0.354401 -0.013393 0.019750 0.195863 -0.194009 30O 2py -0.137874 -0.274705 -0.004872 0.014262 0.121063 -0.100838 30O 3pz 0.059152 0.096444 -0.043537 0.100563 -0.064830 0.061692 30O 3px -0.017759 -0.085629 0.023651 -0.092064 0.119622 -0.060024 30O 3py -0.074048 -0.115518 0.047296 -0.100737 0.054115 -0.110055 30O 1dz2 0.000460 0.001825 0.000823 -0.002120 -0.000486 0.002089 30O 1dxz -0.004276 -0.009602 0.000155 0.000253 0.005128 -0.006355 30O 1dyz -0.001767 -0.004620 -0.000787 0.001402 -0.001770 0.003056 30O 1dx2y2 -0.000143 -0.000823 -0.001368 0.002098 -0.002855 0.003160 30O 1dxy 0.007733 0.014028 0.000311 -0.002076 -0.006957 0.009320 30O 2dz2 0.012741 0.020384 -0.000252 0.005297 -0.008866 0.004238 30O 2dxz 0.073305 0.146228 0.003366 -0.002316 -0.052084 0.053074 30O 2dyz 0.051038 0.104876 0.004040 -0.005840 -0.018732 0.012272 30O 2dx2y2 -0.017269 -0.030597 0.000365 -0.005603 0.025715 -0.028225 30O 2dxy -0.087997 -0.167142 -0.004199 0.007041 0.057574 -0.062253 30O 1f0 -0.018636 -0.035469 -0.000795 -0.000486 0.004739 -0.003849 30O 1f+1 -0.004639 -0.011031 0.000458 -0.000071 0.003480 -0.003141 30O 1f-1 -0.001707 -0.004212 0.000292 -0.000823 -0.000178 0.001070 30O 1f+2 0.011015 0.022198 0.000380 -0.001044 -0.003670 0.004647 30O 1f-2 0.032018 0.063436 -0.000376 0.001162 -0.008719 0.007907 30O 1f+3 -0.010755 -0.020577 0.001031 -0.000868 0.004453 -0.004436 30O 1f-3 0.025037 0.047834 0.000304 -0.000442 -0.008913 0.009218 31O 1s 0.005463 -0.010135 -0.029430 0.034257 0.478471 0.563384 31O 2s 0.000842 -0.001755 0.036072 -0.042132 -0.591716 -0.697791 31O 3s -0.110500 0.212153 -0.032799 0.043030 0.637491 0.754246 31O 4s 0.342939 -0.641792 0.043833 -0.065271 -0.965537 -1.140445 31O 5s 0.138391 -0.545388 -0.101805 0.045806 0.195258 0.480902 31O 1pz -0.016906 0.031880 -0.000612 0.000899 0.014284 0.012392 31O 1px 0.022422 -0.047051 -0.000578 -0.001280 -0.023131 -0.022707 31O 1py 0.015785 -0.033100 0.000718 -0.001048 -0.014120 -0.010988 31O 2pz 0.128132 -0.257179 -0.005360 -0.014691 -0.120652 -0.108869 31O 2px -0.173261 0.354847 0.013290 0.019740 0.194909 0.194683 31O 2py -0.133295 0.274928 0.004731 0.014162 0.120452 0.101048 31O 3pz 0.057361 -0.096882 0.044362 0.101343 -0.064963 -0.061723 31O 3px -0.016984 0.085548 -0.024640 -0.092894 0.119662 0.060325 31O 3py -0.071512 0.115874 -0.047945 -0.101159 0.053798 0.109818 31O 1dz2 -0.000438 0.001822 0.000836 0.002135 0.000479 0.002086 31O 1dxz 0.004115 -0.009627 0.000185 -0.000225 -0.005098 -0.006354 31O 1dyz 0.001707 -0.004618 -0.000776 -0.001368 0.001773 0.003081 31O 1dx2y2 0.000149 -0.000813 -0.001373 -0.002097 0.002853 0.003167 31O 1dxy -0.007500 0.014053 0.000290 0.002057 0.006914 0.009318 31O 2dz2 -0.012359 0.020374 -0.000298 -0.005337 0.008828 0.004268 31O 2dxz -0.070871 0.146448 0.003230 0.002188 0.051856 0.053178 31O 2dyz -0.049388 0.104945 0.003964 0.005692 0.018607 0.012266 31O 2dx2y2 0.016682 -0.030697 0.000391 0.005592 -0.025645 -0.028307 31O 2dxy 0.085188 -0.167301 -0.004075 -0.006941 -0.057269 -0.062326 31O 1f0 -0.018043 0.035501 0.000792 -0.000491 0.004703 0.003847 31O 1f+1 -0.004475 0.011071 -0.000462 -0.000070 0.003473 0.003160 31O 1f-1 -0.001652 0.004236 -0.000298 -0.000832 -0.000171 -0.001070 31O 1f+2 0.010645 -0.022234 -0.000385 -0.001046 -0.003648 -0.004662 31O 1f-2 0.030976 -0.063496 0.000385 0.001172 -0.008671 -0.007934 31O 1f+3 -0.010417 0.020576 -0.001036 -0.000863 0.004431 0.004459 31O 1f-3 0.024238 -0.047878 -0.000302 -0.000443 -0.008866 -0.009252 32O 1s -0.000137 0.000129 -0.975601 0.982435 -0.079756 0.001037 32O 2s 0.000067 -0.000027 1.196240 -1.208994 0.098701 -0.001274 32O 3s -0.001183 -0.000798 -1.168522 1.217104 -0.107654 0.000678 32O 4s 0.002942 0.002605 1.403944 -1.537560 0.184878 0.002545 32O 5s 0.020216 -0.008814 -0.846621 1.095270 -0.288567 -0.009413 32O 1pz -0.000722 -0.000067 -0.003650 0.001139 -0.001322 0.001042 32O 1px 0.000418 -0.000064 0.006125 0.000394 0.005056 0.001576 32O 1py -0.000813 -0.000047 -0.019373 0.018306 0.000643 -0.000262 32O 2pz 0.005385 -0.009105 0.025038 -0.014642 0.001583 -0.004845 32O 2px -0.003375 -0.002594 -0.047079 0.019033 -0.011202 -0.005938 32O 2py 0.006449 0.000149 0.119648 -0.115896 0.000667 0.000288 32O 3pz -0.002540 -0.024023 0.029125 -0.065221 0.027774 -0.022610 32O 3px 0.002425 -0.009640 -0.115533 0.216871 -0.082284 -0.012350 32O 3py 0.005776 0.000329 -0.085955 0.102190 -0.022050 0.017327 32O 1dz2 -0.000525 -0.000480 -0.005609 0.005185 -0.001545 -0.000938 32O 1dxz -0.000209 -0.000113 -0.005756 0.005587 -0.002757 0.001248 32O 1dyz -0.000024 -0.000280 -0.001415 0.001372 -0.000262 0.000899 32O 1dx2y2 -0.000091 -0.000337 0.005727 -0.006007 0.003871 0.000918 32O 1dxy 0.000091 -0.000404 0.005576 -0.005214 0.000884 -0.000981 32O 2dz2 0.003131 -0.001713 0.046409 -0.044713 0.006228 0.001836 32O 2dxz 0.001770 0.002362 0.037282 -0.036196 0.009342 -0.002403 32O 2dyz 0.001027 -0.005180 0.009324 -0.009056 0.000608 -0.004355 32O 2dx2y2 -0.000415 0.001421 -0.017766 0.017996 -0.011375 -0.002456 32O 2dxy -0.000822 -0.001175 -0.042205 0.040354 -0.004245 0.001840 32O 1f0 0.000342 -0.000836 0.019437 -0.019627 0.000760 0.000095 32O 1f+1 -0.000068 -0.000969 -0.009704 0.010014 -0.000620 0.000555 32O 1f-1 0.000810 -0.000726 0.022801 -0.021997 0.001099 -0.000635 32O 1f+2 -0.000313 0.000491 -0.009714 0.010321 0.000095 -0.000592 32O 1f-2 0.000433 0.001011 0.013889 -0.013115 0.000861 0.000745 32O 1f+3 -0.000243 -0.000535 -0.005177 0.005825 0.000668 0.000159 32O 1f-3 -0.000191 -0.000614 -0.006990 0.007278 -0.000261 -0.000708 33O 1s -0.015124 0.010397 -0.001063 0.045658 0.486465 0.198035 33O 2s -0.002327 0.001800 0.001312 -0.056117 -0.601603 -0.245278 33O 3s 0.306003 -0.218141 0.000530 0.054475 0.648492 0.265690 33O 4s -0.950809 0.664179 0.000542 -0.077136 -0.980967 -0.406611 33O 5s -0.377811 0.558175 -0.057541 0.127073 0.175249 0.169012 33O 1pz 0.055838 -0.041500 -0.000230 0.001274 0.018582 0.004697 33O 1px -0.068085 0.052410 -0.001612 -0.001066 -0.025555 -0.007828 33O 1py 0.007815 -0.005532 -0.000231 0.000892 0.001618 -0.000404 33O 2pz -0.451705 0.343227 -0.008194 -0.011033 -0.157875 -0.045337 33O 2px 0.530160 -0.402803 0.018961 0.012742 0.215752 0.073192 33O 2py -0.073643 0.056671 0.000507 -0.004294 -0.014165 0.001262 33O 3pz -0.211135 0.139975 0.041363 0.120166 -0.070392 -0.018454 33O 3px 0.077899 -0.104081 -0.033227 -0.120161 0.129439 0.050003 33O 3py -0.094196 0.042692 0.021881 0.041404 0.003267 -0.048721 33O 1dz2 0.003217 -0.003592 0.000641 0.001121 -0.001400 -0.000427 33O 1dxz -0.020275 0.015555 0.000006 -0.001196 -0.007078 -0.002945 33O 1dyz -0.003537 0.001698 0.000453 0.000352 -0.004231 -0.003239 33O 1dx2y2 0.006763 -0.004476 -0.000606 -0.001327 0.003875 0.001304 33O 1dxy -0.009478 0.007385 -0.000397 -0.001721 -0.002746 -0.001142 33O 2dz2 -0.040315 0.035799 -0.000040 -0.002912 0.001818 0.001452 33O 2dxz 0.292203 -0.219461 0.004703 0.001283 0.072955 0.024305 33O 2dyz -0.019820 0.019354 -0.000368 -0.000970 0.008075 0.009023 33O 2dx2y2 -0.155557 0.113129 -0.003433 0.004658 -0.046232 -0.017456 33O 2dxy 0.065328 -0.050211 -0.000344 0.004076 0.013120 0.005192 33O 1f0 0.041506 -0.030496 0.000449 0.000042 0.005444 0.002341 33O 1f+1 0.060365 -0.045825 -0.000526 -0.001410 0.007679 0.001776 33O 1f-1 0.001204 -0.001372 0.000008 0.001138 0.001271 0.001122 33O 1f+2 -0.090812 0.067610 -0.000520 0.000538 -0.010436 -0.003296 33O 1f-2 0.021239 -0.016270 -0.000752 -0.001047 0.001134 0.000434 33O 1f+3 -0.039718 0.029056 -0.000967 0.000043 -0.003908 -0.000687 33O 1f-3 0.021765 -0.016343 -0.000683 -0.000400 0.004650 0.002187 34O 1s 0.005659 -0.010110 -0.005256 -0.049028 -0.505084 -0.714504 34O 2s 0.000824 -0.001745 0.006445 0.060278 0.624626 0.884979 34O 3s -0.112774 0.211156 -0.003983 -0.059361 -0.671870 -0.954406 34O 4s 0.347191 -0.633484 0.004976 0.083421 1.009245 1.417696 34O 5s 0.145566 -0.530831 -0.079530 -0.101343 -0.191799 -0.545788 34O 1pz -0.000122 -0.002679 -0.000713 0.000343 0.002424 0.004339 34O 1px -0.031460 0.063572 0.001126 -0.001884 -0.031911 -0.038266 34O 1py 0.006223 -0.013960 0.000285 0.001075 0.004874 0.004159 34O 2pz -0.004383 0.012598 0.004168 -0.003024 -0.022144 -0.033047 34O 2px 0.248281 -0.496632 -0.022199 0.020947 0.266598 0.309442 34O 2py -0.059059 0.124188 0.001852 -0.006607 -0.041445 -0.039042 34O 3pz 0.020238 -0.009746 0.010377 0.003324 -0.034826 0.014986 34O 3px 0.068073 -0.135965 0.043553 -0.150176 0.146679 0.138556 34O 3py -0.046197 0.055539 -0.039802 0.060070 -0.004505 -0.098689 34O 1dz2 0.002730 -0.005755 -0.000124 0.000797 0.002235 0.003627 34O 1dxz -0.000029 0.002415 0.000264 -0.001304 0.001372 0.000657 34O 1dyz -0.002838 0.005701 -0.000205 -0.001179 -0.004819 -0.007690 34O 1dx2y2 -0.006104 0.012012 -0.000511 -0.000142 -0.008121 -0.012048 34O 1dxy 0.004656 -0.008984 -0.000649 0.002240 0.000773 0.002363 34O 2dz2 -0.058304 0.116485 0.003897 -0.002196 -0.037865 -0.046333 34O 2dxz -0.006931 0.004374 0.002101 0.003443 -0.013077 -0.012170 34O 2dyz 0.010255 -0.019269 0.000604 0.002800 0.015189 0.023031 34O 2dx2y2 0.095803 -0.189504 -0.005361 0.000115 0.075523 0.094992 34O 2dxy -0.052434 0.104280 0.001138 -0.006098 -0.020051 -0.028322 34O 1f0 0.004252 -0.007045 -0.000422 0.000565 -0.000042 0.001169 34O 1f+1 -0.026059 0.052560 0.000260 0.000801 -0.008284 -0.010558 34O 1f-1 0.005527 -0.011475 0.000143 -0.000520 0.001210 0.001570 34O 1f+2 -0.002682 0.003347 0.000771 -0.000210 -0.000605 -0.000963 34O 1f-2 0.005298 -0.009965 0.000269 0.000610 0.004134 0.004939 34O 1f+3 -0.029501 0.060062 0.001014 -0.000302 -0.010236 -0.013367 34O 1f-3 0.022794 -0.045194 0.000782 -0.001383 0.007535 0.008861 35O 1s -0.015310 0.010314 -0.037319 -0.036987 -0.487294 -0.332864 35O 2s -0.002252 0.001759 0.045750 0.045493 0.602640 0.412293 35O 3s 0.304795 -0.214309 -0.042693 -0.046317 -0.648489 -0.444259 35O 4s -0.933143 0.641684 0.055579 0.068163 0.977578 0.655424 35O 5s -0.356477 0.527070 -0.077217 -0.052469 -0.200808 -0.260879 35O 1pz 0.010443 -0.007215 -0.000857 -0.000144 -0.001172 -0.000221 35O 1px 0.079241 -0.060166 -0.000773 -0.001734 -0.028580 -0.017420 35O 1py 0.035688 -0.027122 -0.000508 -0.000534 -0.011844 -0.006461 35O 2pz -0.090288 0.070215 0.002381 0.002583 0.009361 0.003646 35O 2px -0.618196 0.464834 -0.008053 0.025131 0.240758 0.135329 35O 2py -0.286848 0.217788 -0.002376 0.009112 0.098151 0.052203 35O 3pz -0.107121 0.041503 0.040768 -0.047279 -0.015626 0.019172 35O 3px -0.129244 0.125202 0.061259 -0.146628 0.146145 0.035547 35O 3py -0.111904 0.075572 0.046118 -0.074249 0.039581 0.081185 35O 1dz2 -0.013441 0.009804 0.000662 0.000192 0.006293 0.004223 35O 1dxz 0.009232 -0.007920 0.001193 -0.003453 -0.000444 -0.002095 35O 1dyz -0.003547 0.002215 0.000343 0.000227 0.004314 0.002548 35O 1dx2y2 0.008128 -0.005919 -0.000893 0.000680 -0.004555 -0.003539 35O 1dxy 0.013402 -0.010136 -0.000179 -0.001339 -0.003088 -0.002631 35O 2dz2 0.170683 -0.125328 0.000418 -0.001485 -0.048660 -0.027513 35O 2dxz -0.075895 0.061289 -0.001583 0.010142 0.005429 0.009589 35O 2dyz -0.011350 0.011195 -0.000613 0.000450 -0.010745 -0.006282 35O 2dx2y2 -0.176790 0.129658 -0.001260 -0.000198 0.051276 0.030872 35O 2dxy -0.214530 0.160394 -0.001545 0.005558 0.045947 0.029929 35O 1f0 0.019495 -0.015213 -0.000717 0.000853 -0.002521 -0.001061 35O 1f+1 0.069964 -0.051726 0.000211 -0.000476 -0.009277 -0.005963 35O 1f-1 0.034202 -0.025940 -0.000600 0.000222 -0.003380 -0.002597 35O 1f+2 -0.022848 0.017595 0.000974 -0.000427 0.004545 0.001797 35O 1f-2 -0.012237 0.009642 0.000228 -0.001466 -0.000111 0.000287 35O 1f+3 0.028685 -0.021022 0.000504 -0.000545 -0.002385 -0.001407 35O 1f-3 0.090884 -0.067490 -0.000198 0.000838 -0.009868 -0.006569 762 763 764 765 766 767 43.92199 43.94359 43.96751 44.15275 44.15889 44.17935 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s -0.009762 -0.081833 -0.000211 0.002335 0.002497 -0.000655 0Rh 2s -0.056148 -0.470705 -0.001212 0.013443 0.014387 -0.003773 0Rh 3s -0.095723 -0.802478 -0.002066 0.022905 0.024501 -0.006426 0Rh 4s 0.165442 1.386670 0.003577 -0.039609 -0.042448 0.011128 0Rh 5s -0.085763 -0.716261 -0.001870 0.020422 0.022310 -0.005816 0Rh 6s 0.040661 0.331313 0.000844 -0.009288 -0.011214 0.002818 0Rh 7s -0.006410 -0.017359 -0.001218 0.008813 0.022830 -0.001159 0Rh 8s 0.014586 0.065374 -0.000998 -0.021102 -0.012476 0.002250 0Rh 1pz 0.000613 -0.000054 0.000008 0.000958 -0.000892 -0.000024 0Rh 1px -0.000045 -0.000569 -0.000008 0.000466 -0.000005 -0.000002 0Rh 1py 0.000909 -0.000116 0.000013 -0.000832 -0.001043 -0.000029 0Rh 2pz -0.002825 0.000239 -0.000042 -0.004426 0.004127 0.000108 0Rh 2px 0.000215 0.002652 0.000036 -0.002158 0.000018 0.000010 0Rh 2py -0.004190 0.000538 -0.000063 0.003848 0.004822 0.000132 0Rh 3pz 0.012892 -0.000737 0.000255 0.020237 -0.019033 -0.000490 0Rh 3px -0.001209 -0.013207 -0.000171 0.009969 0.000134 -0.000047 0Rh 3py 0.019000 -0.002626 0.000316 -0.017654 -0.022122 -0.000618 0Rh 4pz -0.021917 -0.000571 -0.000523 -0.033136 0.031994 0.001033 0Rh 4px 0.003175 0.028749 0.000401 -0.016791 -0.001485 0.000129 0Rh 4py -0.031732 0.005627 -0.000642 0.029177 0.036604 0.001209 0Rh 5pz 0.014248 0.006064 0.000116 0.012604 -0.015474 -0.001551 0Rh 5px -0.005680 -0.038787 -0.000747 0.008309 0.005621 -0.000338 0Rh 5py 0.018919 -0.007693 0.000601 -0.012205 -0.015547 -0.001316 0Rh 6pz -0.253649 0.000120 -0.002734 -0.327578 0.343851 -0.004933 0Rh 6px 0.019222 0.212653 0.004758 -0.184492 -0.026062 -0.000450 0Rh 6py -0.381884 0.046409 -0.001476 0.305804 0.372736 -0.000797 0Rh 1dz2 -0.000180 0.000145 -0.000858 -0.000042 0.000257 0.000968 0Rh 1dxz 0.000092 0.000174 0.000074 0.000347 -0.000171 0.000025 0Rh 1dyz -0.000014 -0.000040 -0.002055 0.000205 -0.000084 0.002500 0Rh 1dx2y2 0.000048 -0.000372 -0.000325 0.000199 -0.000196 0.000430 0Rh 1dxy 0.000201 0.000078 -0.000768 -0.000290 -0.000332 0.000983 0Rh 2dz2 0.000633 -0.000310 0.003225 0.000116 -0.000845 -0.002947 0Rh 2dxz -0.000299 -0.000346 -0.000274 -0.001135 0.000533 -0.000108 0Rh 2dyz 0.000067 0.000173 0.007749 -0.000676 0.000289 -0.007657 0Rh 2dx2y2 -0.000194 0.000890 0.001216 -0.000635 0.000676 -0.001332 0Rh 2dxy -0.000709 -0.000401 0.002910 0.000943 0.001079 -0.003015 0Rh 3dz2 -0.001470 -0.000348 -0.008555 -0.000075 0.001621 0.004325 0Rh 3dxz 0.000577 -0.000638 0.000706 0.002119 -0.000802 0.000362 0Rh 3dyz -0.000251 -0.000565 -0.020666 0.001296 -0.000634 0.011511 0Rh 3dx2y2 0.000587 0.000194 -0.003192 0.001084 -0.001491 0.002100 0Rh 3dxy 0.001675 0.001608 -0.007828 -0.001722 -0.001956 0.004564 0Rh 4dz2 0.003510 0.004661 0.023402 -0.001029 -0.002035 -0.001266 0Rh 4dxz -0.001132 0.006785 -0.001839 -0.002085 -0.000748 -0.001134 0Rh 4dyz 0.001108 0.001881 0.056896 -0.001420 0.001341 -0.004818 0Rh 4dx2y2 -0.001782 -0.008688 0.008605 -0.000358 0.003356 -0.001365 0Rh 4dxy -0.004308 -0.006099 0.021756 0.001444 0.001400 -0.002087 0Rh 5dz2 -0.009325 -0.001170 -0.046208 0.013031 -0.006156 0.034826 0Rh 5dxz 0.008029 -0.004206 0.003259 -0.013525 0.020690 -0.000942 0Rh 5dyz -0.005070 -0.002039 -0.112400 -0.006582 -0.006760 0.089257 0Rh 5dx2y2 0.001045 0.001346 -0.016799 -0.012564 -0.010838 0.014351 0Rh 5dxy 0.015464 0.005744 -0.042670 0.013404 0.018840 0.035551 0Rh 1f0 0.000500 -0.001237 0.000088 0.000310 0.000941 -0.000930 0Rh 1f+1 0.000932 0.000738 0.000118 -0.001508 0.001545 0.001282 0Rh 1f-1 0.000881 0.000145 0.000226 -0.000137 0.002170 -0.001231 0Rh 1f+2 -0.000857 0.001848 -0.000172 0.001956 -0.001634 -0.000870 0Rh 1f-2 0.000789 0.000690 -0.000013 0.001749 0.001359 0.002615 0Rh 1f+3 -0.000347 0.001669 0.000079 -0.002102 -0.000387 -0.000311 0Rh 1f-3 0.001607 0.001088 0.000087 0.001305 0.001703 -0.001568 1Rh 1s -0.009779 -0.081854 -0.000209 -0.001992 -0.002596 -0.000741 1Rh 2s -0.056251 -0.470821 -0.001200 -0.011470 -0.014957 -0.004267 1Rh 3s -0.095899 -0.802676 -0.002047 -0.019542 -0.025472 -0.007266 1Rh 4s 0.165746 1.387010 0.003529 0.033797 0.044128 0.012585 1Rh 5s -0.085914 -0.716433 -0.001797 -0.017429 -0.023179 -0.006582 1Rh 6s 0.040711 0.331415 0.000836 0.007869 0.011617 0.003198 1Rh 7s -0.006462 -0.017183 0.001071 -0.008838 -0.022529 -0.001617 1Rh 8s 0.013454 0.065854 0.001606 0.022441 0.011549 0.002703 1Rh 1pz -0.000614 0.000055 0.000012 0.000959 -0.000894 0.000015 1Rh 1px 0.000047 0.000567 -0.000004 0.000466 -0.000006 0.000004 1Rh 1py -0.000910 0.000117 0.000017 -0.000831 -0.001044 0.000010 1Rh 2pz 0.002832 -0.000245 -0.000060 -0.004434 0.004137 -0.000068 1Rh 2px -0.000223 -0.002641 0.000020 -0.002155 0.000021 -0.000018 1Rh 2py 0.004192 -0.000542 -0.000078 0.003841 0.004826 -0.000046 1Rh 3pz -0.012925 0.000765 0.000337 0.020280 -0.019077 0.000304 1Rh 3px 0.001245 0.013148 -0.000093 0.009949 0.000118 0.000086 1Rh 3py -0.019012 0.002647 0.000391 -0.017622 -0.022146 0.000223 1Rh 4pz 0.021998 0.000505 -0.000658 -0.033233 0.032073 -0.000713 1Rh 4px -0.003254 -0.028617 0.000242 -0.016731 -0.001459 -0.000209 1Rh 4py 0.031761 -0.005662 -0.000798 0.029113 0.036668 -0.000549 1Rh 5pz -0.014354 -0.005962 0.000199 0.012744 -0.015539 0.001376 1Rh 5px 0.005802 0.038619 -0.000563 0.008161 0.005637 0.000430 1Rh 5py -0.018956 0.007720 0.000776 -0.012115 -0.015643 0.001028 1Rh 6pz 0.253991 -0.000242 -0.004268 -0.328391 0.345511 0.008377 1Rh 6px -0.020522 -0.211398 0.003379 -0.183902 -0.026070 -0.000786 1Rh 6py 0.382060 -0.047397 -0.002185 0.303451 0.373056 0.007446 1Rh 1dz2 -0.000181 0.000143 0.000858 0.000044 -0.000277 0.000965 1Rh 1dxz 0.000094 0.000176 -0.000073 -0.000336 0.000174 0.000023 1Rh 1dyz -0.000011 -0.000052 0.002054 -0.000220 0.000053 0.002501 1Rh 1dx2y2 0.000050 -0.000378 0.000320 -0.000210 0.000193 0.000431 1Rh 1dxy 0.000201 0.000074 0.000771 0.000290 0.000317 0.000991 1Rh 2dz2 0.000635 -0.000303 -0.003226 -0.000124 0.000911 -0.002938 1Rh 2dxz -0.000307 -0.000353 0.000271 0.001100 -0.000541 -0.000104 1Rh 2dyz 0.000052 0.000218 -0.007745 0.000725 -0.000196 -0.007662 1Rh 2dx2y2 -0.000202 0.000912 -0.001201 0.000672 -0.000667 -0.001338 1Rh 2dxy -0.000711 -0.000385 -0.002921 -0.000945 -0.001033 -0.003041 1Rh 3dz2 -0.001471 -0.000374 0.008550 0.000095 -0.001733 0.004307 1Rh 3dxz 0.000592 -0.000619 -0.000708 -0.002049 0.000819 0.000349 1Rh 3dyz -0.000215 -0.000688 0.020660 -0.001379 0.000500 0.011520 1Rh 3dx2y2 0.000609 0.000138 0.003172 -0.001156 0.001485 0.002115 1Rh 3dxy 0.001682 0.001561 0.007856 0.001732 0.001884 0.004613 1Rh 4dz2 0.003507 0.004750 -0.023376 0.000984 0.002149 -0.001241 1Rh 4dxz -0.001153 0.006732 0.001877 0.001968 0.000720 -0.001088 1Rh 4dyz 0.001018 0.002227 -0.056894 0.001506 -0.001305 -0.004835 1Rh 4dx2y2 -0.001849 -0.008543 -0.008604 0.000484 -0.003397 -0.001419 1Rh 4dxy -0.004339 -0.005954 -0.021824 -0.001478 -0.001359 -0.002139 1Rh 5dz2 -0.009389 -0.001322 0.046263 -0.013015 0.005464 0.034847 1Rh 5dxz 0.008036 -0.004058 -0.003284 0.013895 -0.020625 -0.001249 1Rh 5dyz -0.004978 -0.002739 0.112453 0.006048 0.005562 0.089436 1Rh 5dx2y2 0.001247 0.000982 0.016661 0.012062 0.010817 0.014565 1Rh 5dxy 0.015519 0.005424 0.042752 -0.013599 -0.019334 0.035283 1Rh 1f0 -0.000499 0.001236 0.000100 0.000319 0.000918 0.000945 1Rh 1f+1 -0.000927 -0.000737 0.000112 -0.001520 0.001566 -0.001270 1Rh 1f-1 -0.000886 -0.000156 0.000228 -0.000148 0.002154 0.001256 1Rh 1f+2 0.000868 -0.001838 -0.000193 0.001928 -0.001638 0.000852 1Rh 1f-2 -0.000790 -0.000682 -0.000020 0.001742 0.001392 -0.002587 1Rh 1f+3 0.000354 -0.001673 0.000061 -0.002123 -0.000381 0.000294 1Rh 1f-3 -0.001606 -0.001087 0.000089 0.001299 0.001685 0.001599 2C 1s -0.001027 -0.006436 -0.000615 -0.002365 0.007987 -0.007729 2C 2s 0.002008 0.012663 0.001197 0.004711 -0.015971 0.015473 2C 3s -0.005995 -0.005359 0.000917 -0.007763 0.030120 -0.051970 2C 4s -0.007417 -0.295594 -0.014971 -0.077324 0.238839 -0.019668 2C 5s 0.002534 0.835466 -0.070581 0.162419 -0.422921 0.994168 2C 1pz -0.000767 -0.011570 0.000365 -0.005273 0.013514 -0.015192 2C 1px -0.001725 -0.007196 -0.002189 -0.003561 0.009113 -0.007585 2C 1py -0.000540 -0.007310 -0.000091 -0.000656 0.009195 -0.009314 2C 2pz -0.012378 -0.156917 0.000437 -0.035350 0.171096 -0.048474 2C 2px -0.016638 0.027430 -0.007053 0.025078 -0.040133 0.040897 2C 2py -0.019389 -0.104087 -0.008008 -0.065397 0.103505 -0.032656 2C 3pz 0.035404 0.164418 0.017959 0.006927 -0.078905 0.208302 2C 3px -0.078971 0.065312 -0.094500 -0.000296 -0.068309 0.064496 2C 3py -0.006195 0.113272 -0.022273 0.053234 -0.030717 0.130784 2C 1dz2 -0.002663 -0.003415 -0.001819 0.000950 0.003664 -0.001151 2C 1dxz 0.001899 -0.001841 0.001482 -0.000375 0.000877 0.000226 2C 1dyz -0.000568 -0.008677 0.000235 -0.003893 0.008651 -0.004355 2C 1dx2y2 0.001698 -0.001156 0.001419 0.000420 0.003048 -0.003401 2C 1dxy 0.001687 -0.004414 0.001194 0.000020 0.006059 -0.003920 2C 2dz2 0.007807 -0.044192 0.011393 -0.010094 0.047830 -0.022154 2C 2dxz -0.027419 -0.046768 -0.021091 -0.021587 0.065731 -0.038948 2C 2dyz -0.002070 -0.027012 0.004586 -0.010091 0.017789 -0.004132 2C 2dx2y2 0.004458 0.059510 0.001576 0.027265 -0.080256 0.050547 2C 2dxy -0.013891 0.010656 -0.011121 0.008065 -0.015273 0.011132 2C 1f0 -0.001736 -0.002684 -0.000554 0.001825 0.003439 -0.000587 2C 1f+1 0.000845 -0.010397 0.000783 -0.001746 0.013415 -0.006514 2C 1f-1 -0.001025 -0.004469 -0.000500 -0.000317 0.000482 -0.000509 2C 1f+2 0.000522 0.005571 0.000338 0.003221 -0.004002 0.001685 2C 1f-2 0.002822 -0.004636 -0.000283 -0.001544 0.003432 -0.001983 2C 1f+3 0.000903 -0.001112 0.001228 -0.000905 0.000916 -0.001005 2C 1f-3 -0.000467 -0.004864 0.000464 -0.003100 0.006212 -0.002935 3C 1s -0.000573 -0.006487 0.000318 -0.007922 -0.002264 0.007638 3C 2s 0.001130 0.012767 -0.000614 0.015846 0.004504 -0.015299 3C 3s 0.001636 -0.006478 -0.000640 -0.030560 -0.006064 0.052171 3C 4s -0.042835 -0.291241 0.002825 -0.233170 -0.086289 0.014553 3C 5s 0.120306 0.833237 0.058479 0.426818 0.180734 -0.987356 3C 1pz -0.000658 -0.003699 -0.000861 -0.004475 0.000932 0.005685 3C 1px -0.000015 -0.007338 0.001657 -0.009125 -0.002397 0.008168 3C 1py 0.001681 0.013086 0.000242 0.015480 0.005948 -0.016365 3C 2pz -0.015154 -0.122030 -0.001632 -0.128687 -0.077877 0.052490 3C 2px 0.001363 -0.022160 0.011054 -0.011826 -0.012147 -0.014275 3C 2py 0.015645 0.140183 0.006609 0.145957 0.031840 -0.032911 3C 3pz 0.001318 0.083240 -0.026732 -0.000256 0.046595 -0.099941 3C 3px 0.047010 0.084931 0.093330 0.050891 0.025785 -0.089956 3C 3py -0.012608 -0.173010 0.006329 -0.095316 -0.008769 0.214267 3C 1dz2 0.000271 0.004467 0.000646 0.006524 -0.001097 -0.004531 3C 1dxz 0.000972 -0.001172 0.000474 -0.000033 -0.000577 -0.001102 3C 1dyz 0.000588 0.008045 -0.000480 0.008616 0.003098 -0.004516 3C 1dx2y2 -0.000633 0.001566 -0.001766 0.000311 -0.000199 0.001431 3C 1dxy 0.002369 0.004796 0.002466 0.004237 0.002187 -0.001933 3C 2dz2 -0.003181 -0.013517 -0.004728 -0.021556 -0.013492 0.017543 3C 2dxz -0.001947 -0.043844 0.008011 -0.059568 -0.020398 0.036141 3C 2dyz 0.006078 0.010332 0.012772 -0.004780 0.002910 0.008250 3C 2dx2y2 0.011975 0.069532 0.010884 0.082469 0.027262 -0.045071 3C 2dxy -0.005535 0.035637 -0.016514 0.041835 0.016454 -0.021159 3C 1f0 -0.000189 0.000240 0.000332 -0.003049 -0.000163 0.001158 3C 1f+1 -0.000267 -0.003232 -0.000144 -0.003866 -0.002740 0.001711 3C 1f-1 -0.000543 -0.002265 0.000216 -0.003944 0.001835 0.001376 3C 1f+2 -0.000191 0.001684 -0.001384 -0.002249 -0.000018 0.001384 3C 1f-2 0.001526 0.007254 0.000544 0.006187 0.003343 -0.002905 3C 1f+3 -0.002387 -0.009703 -0.000738 -0.010947 -0.002395 0.005629 3C 1f-3 -0.000191 0.006774 -0.000018 0.008072 0.000338 -0.003444 4C 1s -0.002663 -0.024274 -0.000956 -0.009423 0.032536 -0.021659 4C 2s 0.005649 0.051652 0.001996 0.020149 -0.069489 0.046619 4C 3s -0.002935 -0.018592 -0.004774 -0.007237 0.014443 -0.055239 4C 4s -0.041784 -0.430034 -0.001138 -0.151090 0.586401 -0.169988 4C 5s 0.001581 -0.407532 0.052799 -0.028597 0.116270 0.415702 4C 1pz 0.011251 0.000173 0.010466 -0.002677 0.009651 -0.011061 4C 1px -0.033538 0.006866 -0.031346 -0.000107 -0.000061 -0.001771 4C 1py -0.006063 0.001904 -0.005447 -0.001166 0.006944 -0.007651 4C 2pz 0.170747 -0.449019 0.102456 -0.141371 0.435891 -0.195504 4C 2px -0.678233 0.035936 -0.352890 -0.003215 0.087529 -0.033898 4C 2py -0.150997 -0.253690 -0.070974 -0.078453 0.293859 -0.128778 4C 3pz -0.038019 0.468589 -0.128803 0.150651 -0.317228 1.104312 4C 3px 0.213709 0.027609 0.342937 0.045384 -0.015594 0.194958 4C 3py 0.056803 0.296109 0.050297 0.026398 -0.235365 0.752959 4C 1dz2 0.023803 0.004386 0.013248 -0.005606 -0.014001 0.007173 4C 1dxz -0.036725 0.027891 -0.022285 0.004903 -0.028384 0.019548 4C 1dyz -0.001166 -0.017157 0.000210 -0.000776 0.019831 -0.015253 4C 1dx2y2 -0.007475 -0.036960 -0.002616 -0.020109 0.046097 -0.034177 4C 1dxy -0.030672 -0.017027 -0.017902 -0.007812 0.027424 -0.020095 4C 2dz2 0.157865 0.104939 0.100455 0.082294 -0.154184 0.074509 4C 2dxz -0.230086 0.202508 -0.157969 0.086577 -0.208916 0.084390 4C 2dyz 0.019564 0.081927 0.008836 0.004669 -0.088501 0.060756 4C 2dx2y2 -0.037081 -0.210222 -0.017025 -0.054097 0.299754 -0.104905 4C 2dxy -0.197345 -0.021683 -0.123436 -0.015402 0.083788 -0.016333 4C 1f0 0.002309 0.006156 0.001682 0.002936 -0.009642 0.000733 4C 1f+1 -0.005034 0.019570 -0.004564 0.004628 -0.027633 0.005123 4C 1f-1 0.014859 -0.011113 0.009473 -0.002823 0.009850 -0.004319 4C 1f+2 0.019126 -0.014478 0.011793 -0.002472 0.017705 -0.002229 4C 1f-2 -0.025364 0.001997 -0.016140 0.004698 0.004153 -0.000585 4C 1f+3 0.017223 -0.006059 0.009898 -0.006280 0.002724 -0.000745 4C 1f-3 0.027229 0.012280 0.015818 0.010284 -0.023096 0.004860 5C 1s -0.002612 -0.024405 0.000071 -0.032319 -0.009626 0.021426 5C 2s 0.005530 0.051937 -0.000161 0.069043 0.020587 -0.046138 5C 3s -0.000654 -0.018710 0.001799 -0.015238 -0.009026 0.055480 5C 4s -0.054118 -0.432518 -0.000292 -0.578637 -0.146403 0.164589 5C 5s -0.071379 -0.401075 -0.034901 -0.108599 -0.040064 -0.421406 5C 1pz -0.004581 -0.000976 -0.010150 -0.007144 -0.001116 0.007446 5C 1px 0.014730 0.004084 0.031212 -0.003671 -0.001014 0.003887 5C 1py 0.002261 -0.001597 0.006209 0.009013 0.002326 -0.011004 5C 2pz -0.121967 -0.261348 -0.112966 -0.258921 -0.085404 0.110654 5C 2px 0.273315 -0.097560 0.346423 -0.149920 -0.021312 0.070086 5C 2py 0.101175 0.421340 0.064278 0.430775 0.145215 -0.188306 5C 3pz 0.058518 0.293874 0.124965 0.230210 0.023624 -0.677894 5C 3px -0.072731 0.126844 -0.334038 0.116272 0.028278 -0.401997 5C 3py -0.066973 -0.459121 -0.079978 -0.305783 -0.157782 1.093904 5C 1dz2 -0.004698 0.025424 -0.008150 0.030388 0.017960 -0.023761 5C 1dxz 0.013285 0.022994 0.011634 0.026878 0.012831 -0.019654 5C 1dyz 0.010251 0.026407 0.010391 0.029816 0.004176 -0.022230 5C 1dx2y2 0.007041 -0.028789 0.013197 -0.040853 -0.005055 0.027341 5C 1dxy -0.015149 -0.007147 -0.022226 -0.006207 -0.002128 0.003245 5C 2dz2 -0.023191 0.072143 -0.056616 0.127000 -0.008950 -0.029404 5C 2dxz 0.063330 0.167959 0.083147 0.210350 0.046677 -0.077955 5C 2dyz 0.046749 -0.014537 0.073270 -0.008693 0.020538 0.030086 5C 2dx2y2 0.035479 -0.216609 0.094583 -0.292172 -0.112473 0.116465 5C 2dxy -0.125435 -0.136335 -0.159036 -0.142797 -0.054881 0.067492 5C 1f0 0.009971 0.015992 0.011443 0.018464 0.008377 -0.004990 5C 1f+1 -0.007086 0.011941 -0.012086 0.018118 0.009451 -0.003834 5C 1f-1 0.005903 0.001165 0.008446 -0.001063 0.004311 -0.000001 5C 1f+2 -0.000286 0.005561 -0.000782 0.008415 -0.002740 -0.003143 5C 1f-2 -0.015830 -0.011837 -0.020778 -0.014764 -0.003546 0.001908 5C 1f+3 -0.002831 0.009609 -0.004699 0.016177 0.003616 -0.002201 5C 1f-3 0.002318 -0.015059 0.006301 -0.023398 -0.002139 0.003149 6C 1s -0.002596 -0.024480 -0.000211 0.032188 0.009322 0.021691 6C 2s 0.005494 0.052094 0.000461 -0.068758 -0.019931 -0.046704 6C 3s -0.000395 -0.018899 -0.002019 0.015111 0.008076 0.055672 6C 4s -0.055120 -0.432915 -0.001799 0.576593 0.144882 0.168638 6C 5s -0.071586 -0.402554 0.033640 0.109557 0.046707 -0.419814 6C 1pz 0.004548 0.001052 -0.010141 -0.007066 -0.001031 -0.007470 6C 1px -0.014653 -0.004323 0.031148 -0.003605 -0.000916 -0.003912 6C 1py -0.002238 0.001522 0.006213 0.008949 0.002178 0.011063 6C 2pz 0.121668 0.262829 -0.111295 -0.258374 -0.084248 -0.112972 6C 2px -0.272095 0.094980 0.345912 -0.149313 -0.018707 -0.070911 6C 2py -0.100908 -0.422708 0.061691 0.429660 0.142729 0.192148 6C 3pz -0.057749 -0.295067 0.123818 0.227338 0.014247 0.678636 6C 3px 0.072004 -0.123672 -0.334309 0.114576 0.022325 0.402307 6C 3py 0.066251 0.460108 -0.078039 -0.301865 -0.142398 -1.096785 6C 1dz2 -0.004679 0.025387 0.008286 -0.030197 -0.017583 -0.024120 6C 1dxz 0.013241 0.023129 -0.011484 -0.026766 -0.012592 -0.019944 6C 1dyz 0.010202 0.026520 -0.010227 -0.029694 -0.003889 -0.022405 6C 1dx2y2 0.007005 -0.028752 -0.013317 0.040665 0.004640 0.027593 6C 1dxy -0.015066 -0.007301 0.022131 0.006142 0.002156 0.003265 6C 2dz2 -0.023007 0.071830 0.056851 -0.126581 0.009502 -0.029743 6C 2dxz 0.063085 0.169352 -0.081937 -0.210133 -0.045963 -0.079747 6C 2dyz 0.046674 -0.013877 -0.073217 0.008667 -0.021379 0.029782 6C 2dx2y2 0.035098 -0.216385 -0.095523 0.291227 0.110425 0.119175 6C 2dxy -0.125001 -0.138127 0.157956 0.142661 0.054425 0.069040 6C 1f0 -0.009956 -0.016116 0.011339 0.018402 0.008340 0.005176 6C 1f+1 0.007019 -0.011875 -0.012109 0.018055 0.009371 0.004042 6C 1f-1 -0.005880 -0.001256 0.008432 -0.001026 0.004335 0.000071 6C 1f+2 0.000310 -0.005593 -0.000818 0.008447 -0.002805 0.003148 6C 1f-2 0.015784 0.012047 -0.020669 -0.014747 -0.003624 -0.002049 6C 1f+3 0.002778 -0.009593 -0.004708 0.016138 0.003575 0.002322 6C 1f-3 -0.002279 0.015026 0.006375 -0.023287 -0.002103 -0.003267 7C 1s -0.002646 -0.024297 0.000827 0.009471 -0.032253 -0.022071 7C 2s 0.005612 0.051700 -0.001722 -0.020250 0.068877 0.047499 7C 3s -0.002756 -0.018693 0.004780 0.007500 -0.013665 -0.055294 7C 4s -0.042408 -0.429872 -0.001491 0.151172 -0.584240 -0.177891 7C 5s 0.002857 -0.407636 -0.056761 0.023561 -0.122506 0.414035 7C 1pz -0.011223 -0.000221 0.010505 -0.002737 0.009456 0.011171 7C 1px 0.033493 -0.006725 -0.031491 -0.000136 -0.000081 0.001757 7C 1py 0.006041 -0.001905 -0.005453 -0.001220 0.006795 0.007727 7C 2pz -0.170797 0.448479 0.105375 -0.141133 0.432772 0.200725 7C 2px 0.677821 -0.035869 -0.354995 -0.003537 0.087723 0.034864 7C 2py 0.150706 0.255012 -0.069917 -0.078922 0.293875 0.133191 7C 3pz 0.039574 -0.468576 -0.132586 0.151930 -0.303097 -1.107246 7C 3px -0.213385 -0.028531 0.343599 0.045172 -0.012232 -0.193757 7C 3py -0.055807 -0.297597 0.048069 0.027199 -0.225275 -0.756954 7C 1dz2 0.023758 0.004530 -0.013254 0.005568 0.014121 0.007485 7C 1dxz -0.036681 0.027824 0.022536 -0.004860 0.028072 0.019910 7C 1dyz -0.001133 -0.017215 -0.000315 0.000892 -0.019720 -0.015567 7C 1dx2y2 -0.007395 -0.036966 0.002381 0.020120 -0.045573 -0.034701 7C 1dxy -0.030722 -0.017078 0.017944 0.007866 -0.027205 -0.020441 7C 2dz2 0.157206 0.105066 -0.100098 -0.082603 0.153016 0.076089 7C 2dxz -0.229638 0.202265 0.159601 -0.086760 0.207673 0.087093 7C 2dyz 0.019741 0.082086 -0.008725 -0.005308 0.088076 0.062068 7C 2dx2y2 -0.036715 -0.210729 0.015714 0.054514 -0.299129 -0.109224 7C 2dxy -0.197717 -0.021664 0.124197 0.015360 -0.083566 -0.017320 7C 1f0 -0.002218 -0.006267 0.001593 0.002969 -0.009758 -0.000937 7C 1f+1 0.004912 -0.019552 -0.004647 0.004601 -0.027608 -0.005532 7C 1f-1 -0.014914 0.011099 0.009603 -0.002852 0.009771 0.004433 7C 1f+2 -0.019140 0.014374 0.011964 -0.002400 0.017530 0.002408 7C 1f-2 0.025428 -0.002060 -0.016292 0.004690 0.004074 0.000604 7C 1f+3 -0.017116 0.006063 0.009905 -0.006291 0.002708 0.000753 7C 1f-3 -0.027157 -0.012337 0.015778 0.010293 -0.023078 -0.005145 8C 1s -0.000565 -0.006496 -0.000363 0.007886 0.002160 0.007704 8C 2s 0.001115 0.012784 0.000703 -0.015773 -0.004296 -0.015430 8C 3s 0.001681 -0.006413 0.000634 0.030214 0.005389 0.052357 8C 4s -0.042878 -0.292310 -0.004621 0.233473 0.085761 0.016938 8C 5s 0.119975 0.835205 -0.055633 -0.422943 -0.166872 -0.991127 8C 1pz 0.000653 0.003734 -0.000853 -0.004471 0.000999 -0.005709 8C 1px 0.000030 0.007437 0.001707 -0.009203 -0.002324 -0.008318 8C 1py -0.001673 -0.013067 0.000173 0.015324 0.005708 0.016467 8C 2pz 0.015137 0.122202 -0.000846 -0.128222 -0.076889 -0.054002 8C 2px -0.001551 0.021142 0.011009 -0.010582 -0.011786 0.014931 8C 2py -0.015561 -0.141134 0.005829 0.146636 0.031265 0.034480 8C 3pz -0.001451 -0.083119 -0.027029 -0.000223 0.045081 0.100573 8C 3px -0.046671 -0.086139 0.092872 0.051242 0.024870 0.090927 8C 3py 0.012434 0.172994 0.006924 -0.094102 -0.005646 -0.214469 8C 1dz2 0.000276 0.004489 -0.000640 -0.006503 0.001156 -0.004543 8C 1dxz 0.000964 -0.001188 -0.000476 0.000075 0.000561 -0.001076 8C 1dyz 0.000586 0.008048 0.000512 -0.008573 -0.003023 -0.004582 8C 1dx2y2 -0.000641 0.001547 0.001785 -0.000317 0.000206 0.001440 8C 1dxy 0.002351 0.004844 -0.002413 -0.004264 -0.002182 -0.001999 8C 2dz2 -0.003172 -0.013717 0.004587 0.021590 0.013346 0.017933 8C 2dxz -0.002012 -0.044121 -0.008228 0.059737 0.019823 0.036897 8C 2dyz 0.006006 0.010355 -0.012794 0.004855 -0.002973 0.008321 8C 2dx2y2 0.011896 0.069728 -0.010474 -0.082142 -0.026508 -0.045762 8C 2dxy -0.005506 0.035750 0.016671 -0.041935 -0.016135 -0.021688 8C 1f0 0.000199 -0.000248 0.000337 -0.003012 -0.000152 -0.001156 8C 1f+1 0.000260 0.003254 -0.000142 -0.003867 -0.002747 -0.001781 8C 1f-1 0.000538 0.002264 0.000242 -0.003925 0.001845 -0.001360 8C 1f+2 0.000186 -0.001653 -0.001405 -0.002264 -0.000015 -0.001407 8C 1f-2 -0.001531 -0.007325 0.000472 0.006234 0.003323 0.003002 8C 1f+3 0.002383 0.009757 -0.000705 -0.010965 -0.002314 -0.005731 8C 1f-3 0.000204 -0.006713 -0.000047 0.007917 0.000252 0.003403 9C 1s -0.001032 -0.006443 0.000593 0.002383 -0.007893 -0.007834 9C 2s 0.002017 0.012677 -0.001153 -0.004747 0.015781 0.015683 9C 3s -0.006174 -0.005331 -0.000964 0.007844 -0.029390 -0.052347 9C 4s -0.006447 -0.296045 0.013616 0.077447 -0.239198 -0.022839 9C 5s -0.001199 0.836829 0.077899 -0.160187 0.410655 0.999284 9C 1pz 0.000728 0.011474 0.000458 -0.005233 0.013163 0.015233 9C 1px 0.001742 0.007259 -0.002170 -0.003584 0.009061 0.007718 9C 1py 0.000567 0.007480 -0.000072 -0.000735 0.009303 0.009649 9C 2pz 0.012510 0.157650 0.000950 -0.035877 0.171886 0.051409 9C 2px 0.016269 -0.028367 -0.007027 0.025522 -0.040669 -0.042160 9C 2py 0.019001 0.103435 -0.007227 -0.065085 0.101960 0.032852 9C 3pz -0.034880 -0.164047 0.016849 0.006159 -0.075325 -0.208052 9C 3px 0.079135 -0.064767 -0.095376 -0.000228 -0.067685 -0.065046 9C 3py 0.006500 -0.114610 -0.023396 0.053345 -0.030942 -0.132960 9C 1dz2 -0.002631 -0.003357 0.001792 -0.000992 -0.003584 -0.001095 9C 1dxz 0.001840 -0.001840 -0.001459 0.000368 -0.000899 0.000219 9C 1dyz -0.000588 -0.008713 -0.000257 0.003955 -0.008633 -0.004510 9C 1dx2y2 0.001686 -0.001101 -0.001424 -0.000370 -0.002919 -0.003369 9C 1dxy 0.001772 -0.004407 -0.001283 -0.000016 -0.006003 -0.003988 9C 2dz2 0.007848 -0.043746 -0.011694 0.009955 -0.047248 -0.022759 9C 2dxz -0.027290 -0.046889 0.020929 0.021713 -0.065498 -0.040124 9C 2dyz -0.001926 -0.027235 -0.004851 0.010166 -0.017949 -0.004232 9C 2dx2y2 0.004635 0.059945 -0.001377 -0.027388 0.080077 0.051673 9C 2dxy -0.014081 0.010714 0.011336 -0.008132 0.015246 0.011515 9C 1f0 0.001689 0.002535 -0.000527 0.001855 0.003291 0.000575 9C 1f+1 -0.000866 0.010312 0.000850 -0.001736 0.013236 0.006616 9C 1f-1 0.001013 0.004462 -0.000468 -0.000264 0.000493 0.000510 9C 1f+2 -0.000482 -0.005685 0.000361 0.003262 -0.004054 -0.001754 9C 1f-2 -0.002825 0.004714 -0.000259 -0.001574 0.003542 0.002131 9C 1f+3 -0.000909 0.001150 0.001233 -0.000904 0.000959 0.001056 9C 1f-3 0.000491 0.004919 0.000551 -0.003156 0.006224 0.003030 10H 1s -0.000682 -0.005296 -0.002284 -0.003308 0.010707 -0.009748 10H 2s -0.018668 -0.066646 -0.005113 -0.031561 0.088589 -0.051835 10H 3s 0.035650 -0.060955 0.029895 -0.008244 0.044559 -0.051032 10H 1pz -0.003683 -0.003501 -0.002291 -0.003700 0.009559 -0.005056 10H 1px 0.004474 0.005957 0.001657 0.003982 -0.009861 0.007535 10H 1py -0.001624 -0.004364 -0.000996 -0.003257 0.008932 -0.005092 11H 1s 0.000273 0.005915 0.000456 0.002792 -0.005200 0.002926 11H 2s 0.007035 0.031866 0.018445 0.029767 -0.051567 0.035724 11H 3s -0.006154 -0.066923 -0.003581 -0.035429 0.016570 -0.050670 11H 1pz 0.001865 0.006673 0.004580 0.006270 -0.005686 0.004178 11H 1px 0.001036 0.010349 0.002075 0.006693 -0.012134 0.008376 11H 1py 0.001055 0.002372 -0.000351 0.000582 -0.003695 0.002632 12H 1s -0.000002 0.002527 0.000206 -0.000364 -0.000107 -0.001391 12H 2s 0.001551 0.008646 0.015019 -0.005031 -0.028547 0.021580 12H 3s -0.007455 -0.063246 -0.004763 0.002883 0.037338 -0.055558 12H 1pz 0.001802 0.003251 0.002103 -0.000093 -0.003657 0.002567 12H 1px 0.001789 0.010640 0.002469 0.002687 -0.014914 0.009965 12H 1py 0.000684 0.003527 0.003788 -0.003344 -0.003418 0.001851 13H 1s -0.000950 -0.004498 0.001666 -0.009870 -0.002916 0.008896 13H 2s 0.001017 -0.059272 0.002719 -0.075313 -0.030620 0.042255 13H 3s -0.025361 -0.060314 -0.026477 -0.043808 -0.010158 0.051817 13H 1pz 0.001499 -0.007524 0.001506 -0.013539 -0.005863 0.008541 13H 1px -0.000991 0.001713 -0.000845 0.002615 0.001659 -0.002580 13H 1py -0.001307 0.000126 -0.001967 0.003841 0.002332 -0.001191 14H 1s 0.001519 0.000618 -0.000268 -0.001982 -0.000650 0.003037 14H 2s -0.005433 -0.003614 -0.011359 0.011261 -0.011494 -0.011268 14H 3s 0.001039 -0.061375 0.006602 -0.039707 0.000176 0.055052 14H 1pz -0.001296 -0.003642 -0.001829 -0.006586 -0.004950 0.004548 14H 1px -0.000121 0.008376 -0.003107 0.011079 -0.000339 -0.007200 14H 1py 0.000375 -0.005023 0.002240 -0.005562 -0.000471 0.004070 15H 1s 0.000107 0.006916 -0.000262 0.006471 0.003555 -0.003766 15H 2s 0.003583 0.035654 -0.013528 0.056031 0.029594 -0.036022 15H 3s -0.012153 -0.066170 0.002284 -0.016052 -0.037854 0.047933 15H 1pz -0.000567 -0.002455 0.000556 -0.002427 -0.001997 0.001310 15H 1px 0.001598 0.007259 0.000323 0.008949 0.004279 -0.006064 15H 1py -0.000530 -0.009271 0.003846 -0.008847 -0.007549 0.005781 16H 1s 0.002308 0.004905 -0.002372 -0.000428 0.000653 -0.000989 16H 2s 0.041295 -0.014814 0.019102 0.001449 -0.054402 0.012519 16H 3s -0.016749 -0.018753 -0.003595 -0.006697 0.022023 -0.014349 16H 1pz 0.014543 -0.000654 0.006936 -0.000381 -0.014756 0.005968 16H 1px 0.001173 0.001443 -0.001645 0.000648 -0.000609 -0.000222 16H 1py 0.005701 0.001899 0.003287 0.000220 -0.004661 0.002964 17H 1s 0.003175 0.004687 0.001994 0.000479 -0.000584 0.001159 17H 2s 0.029030 -0.010517 -0.011585 -0.030305 -0.030466 -0.008268 17H 3s -0.004791 -0.022092 0.001900 0.023013 0.002496 0.011663 17H 1pz -0.007961 -0.001346 0.001726 0.006788 0.006921 0.002199 17H 1px -0.007676 0.001926 0.003511 0.002594 0.007302 0.002306 17H 1py 0.005620 0.002414 -0.003608 -0.003592 -0.003206 -0.003282 18H 1s 0.003126 0.004734 -0.001876 -0.000414 0.000562 0.001148 18H 2s 0.029836 -0.011251 0.010932 0.027892 0.031418 -0.007465 18H 3s -0.004353 -0.022021 -0.002110 -0.023061 -0.002154 0.011274 18H 1pz 0.008224 0.001342 0.001658 0.006548 0.007198 -0.002000 18H 1px 0.007996 -0.002088 0.003384 0.002026 0.007707 -0.002132 18H 1py -0.005380 -0.002324 -0.003573 -0.003133 -0.003064 0.003172 19H 1s 0.002191 0.004926 0.002451 0.000425 -0.000726 -0.000990 19H 2s 0.041170 -0.015098 -0.019729 -0.003823 0.054626 0.013426 19H 3s -0.016791 -0.018900 0.003481 0.006292 -0.021916 -0.014624 19H 1pz -0.014176 0.000784 0.007039 0.000418 -0.014503 -0.006216 19H 1px -0.001103 -0.001439 -0.001680 0.000373 -0.000504 0.000238 19H 1py -0.006074 -0.001937 0.003358 0.000410 -0.005077 -0.003097 20H 1s 0.000088 0.006892 0.000307 -0.006387 -0.003458 -0.003786 20H 2s 0.003619 0.035512 0.014075 -0.055623 -0.029118 -0.036582 20H 3s -0.012240 -0.066347 -0.002690 0.016008 0.037115 0.048540 20H 1pz 0.000570 0.002457 0.000599 -0.002415 -0.001986 -0.001340 20H 1px -0.001595 -0.007438 0.000211 0.009119 0.004277 0.006295 20H 1py 0.000530 0.009195 0.003976 -0.008729 -0.007445 -0.005868 21H 1s 0.001531 0.000725 0.000252 0.001808 0.000578 0.002944 21H 2s -0.005200 -0.002812 0.011533 -0.012523 0.011279 -0.011945 21H 3s 0.000853 -0.061659 -0.006652 0.039351 -0.001095 0.055211 21H 1pz 0.001259 0.003538 -0.001850 -0.006353 -0.004852 -0.004523 21H 1px 0.000069 -0.008563 -0.003168 0.011317 -0.000365 0.007414 21H 1py -0.000377 0.005008 0.002271 -0.005553 -0.000411 -0.004088 22H 1s -0.000934 -0.004557 -0.001715 0.009903 0.002818 0.009036 22H 2s 0.000855 -0.060050 -0.002979 0.076093 0.030053 0.043639 22H 3s -0.025235 -0.060686 0.026328 0.043402 0.009755 0.052098 22H 1pz -0.001479 0.007542 0.001544 -0.013499 -0.005685 -0.008680 22H 1px 0.000980 -0.001858 -0.000851 0.002834 0.001656 0.002771 22H 1py 0.001275 -0.000290 -0.001954 0.004099 0.002365 0.001416 23H 1s 0.000047 0.002713 -0.000199 0.000313 0.000393 -0.001193 23H 2s 0.001881 0.010018 -0.015477 0.004373 0.030102 0.023002 23H 3s -0.006889 -0.063500 0.004278 -0.003429 -0.036329 -0.055850 23H 1pz -0.001797 -0.003215 0.002060 -0.000093 -0.003606 -0.002582 23H 1px -0.001771 -0.010679 0.002383 0.002763 -0.014827 -0.010178 23H 1py -0.000744 -0.003897 0.003901 -0.003226 -0.003915 -0.002219 24H 1s 0.000214 0.005815 -0.000417 -0.002722 0.004986 0.002845 24H 2s 0.006974 0.031349 -0.018483 -0.029689 0.050401 0.036337 24H 3s -0.005982 -0.067114 0.003118 0.034984 -0.016349 -0.051304 24H 1pz -0.001838 -0.006520 0.004570 0.006179 -0.005386 -0.004123 24H 1px -0.001076 -0.010491 0.002151 0.006804 -0.012199 -0.008703 24H 1py -0.001129 -0.002594 -0.000273 0.000717 -0.003927 -0.002835 25H 1s -0.000702 -0.005372 0.002294 0.003371 -0.010655 -0.009959 25H 2s -0.019015 -0.067415 0.004848 0.031713 -0.089189 -0.053734 25H 3s 0.036354 -0.060908 -0.030866 0.008265 -0.043765 -0.051514 25H 1pz 0.003789 0.003787 -0.002285 -0.003778 0.009921 0.005459 25H 1px -0.004543 -0.006045 0.001666 0.003995 -0.009913 -0.007755 25H 1py 0.001573 0.004178 -0.000956 -0.003139 0.008596 0.004994 26O 1s -0.689631 -0.362280 -0.509084 -0.185550 0.667367 -0.491228 26O 2s 0.854254 0.449038 0.631195 0.231125 -0.831463 0.612198 26O 3s -0.921933 -0.482894 -0.679634 -0.257306 0.930138 -0.678086 26O 4s 1.371464 0.660567 0.985121 0.378589 -1.377662 0.996016 26O 5s -0.542689 -0.132301 -0.483740 -0.213035 0.648441 -1.039916 26O 1pz -0.000617 0.003168 -0.004029 0.001614 -0.000976 0.001682 26O 1px 0.034370 0.025607 0.022859 0.011046 -0.037299 0.021936 26O 1py 0.012792 0.011552 0.006291 0.002396 -0.015199 0.009083 26O 2pz -0.000210 -0.030355 0.015133 -0.015047 0.025092 -0.010928 26O 2px -0.280074 -0.153850 -0.177213 -0.069997 0.250365 -0.120313 26O 2py -0.106562 -0.076217 -0.057937 -0.018689 0.113360 -0.050809 26O 3pz -0.080991 -0.100123 0.046579 -0.045313 0.245360 -0.215507 26O 3px -0.127459 -0.042895 0.044227 0.010233 0.084377 0.155205 26O 3py -0.071682 -0.073457 0.046387 -0.074951 0.170876 -0.078734 26O 1dz2 0.009682 0.004100 0.003756 0.000242 -0.007594 0.005782 26O 1dxz -0.002387 -0.004121 -0.002269 -0.003405 0.005558 -0.005594 26O 1dyz 0.006311 -0.003061 0.002303 -0.000276 0.003039 -0.000291 26O 1dx2y2 -0.005927 -0.004350 -0.001663 -0.003989 0.006134 -0.004024 26O 1dxy -0.005792 -0.007706 -0.002486 -0.001850 0.011541 -0.007849 26O 2dz2 -0.063480 -0.029791 -0.028406 -0.007830 0.053715 -0.030581 26O 2dxz 0.012216 0.026713 0.008402 0.018448 -0.036642 0.027519 26O 2dyz -0.015053 0.018160 -0.002766 0.004297 -0.020129 0.005902 26O 2dx2y2 0.060949 0.032327 0.028923 0.023670 -0.051637 0.025760 26O 2dxy 0.059325 0.052536 0.030750 0.014660 -0.083128 0.044313 26O 1f0 0.002695 0.002358 0.000994 0.002535 -0.004154 0.002574 26O 1f+1 0.011594 0.007003 0.007391 0.003109 -0.010370 0.006674 26O 1f-1 0.004767 0.002954 0.004344 0.001334 -0.006164 0.001900 26O 1f+2 -0.005104 0.000045 -0.003506 -0.000291 0.001518 0.000107 26O 1f-2 0.000549 -0.004523 0.001930 -0.002228 0.007067 -0.004944 26O 1f+3 0.004213 0.004224 0.002904 0.002891 -0.005347 0.003669 26O 1f-3 0.012464 0.012490 0.006662 0.004239 -0.019231 0.012185 27O 1s 0.227845 -0.413562 0.490990 -0.664611 -0.189597 0.483859 27O 2s -0.282222 0.512587 -0.608742 0.827870 0.236190 -0.602999 27O 3s 0.305051 -0.551940 0.655277 -0.924320 -0.262932 0.667698 27O 4s -0.463387 0.765202 -0.950175 1.367813 0.387591 -0.980594 27O 5s 0.215189 -0.166021 0.466366 -0.665992 -0.223663 1.027864 27O 1pz 0.001839 -0.001885 0.005045 -0.003460 -0.002830 0.001704 27O 1px -0.010643 0.030279 -0.022404 0.039425 0.010576 -0.023069 27O 1py 0.000781 -0.006794 -0.001424 -0.005767 -0.003185 0.004330 27O 2pz -0.014554 0.004148 -0.030022 0.011611 0.014527 -0.008442 27O 2px 0.094619 -0.191363 0.177431 -0.266678 -0.068073 0.126441 27O 2py -0.007676 0.052458 -0.005282 0.055715 0.024235 -0.025199 27O 3pz 0.044457 -0.068103 -0.027332 -0.136712 -0.082361 0.156355 27O 3px 0.051567 -0.079914 -0.054985 -0.107040 -0.021973 -0.120072 27O 3py 0.003664 0.099404 0.050335 0.238162 0.045924 -0.186441 27O 1dz2 -0.000716 0.005855 -0.001002 0.007304 0.003545 -0.004891 27O 1dxz -0.001265 -0.000930 0.000556 -0.002360 0.001829 0.001883 27O 1dyz 0.003655 0.000704 0.003303 0.000270 -0.001333 0.001985 27O 1dx2y2 0.003281 -0.007715 0.003867 -0.011329 -0.001527 0.007885 27O 1dxy -0.000331 0.006470 -0.001807 0.008756 0.003599 -0.006581 27O 2dz2 0.014403 -0.042104 0.021650 -0.056308 -0.019292 0.029407 27O 2dxz 0.007496 0.004695 0.004264 0.010035 -0.008818 -0.007507 27O 2dyz -0.011738 -0.003962 -0.007388 -0.002162 0.004962 -0.006112 27O 2dx2y2 -0.027849 0.056331 -0.040463 0.083099 0.015442 -0.044214 27O 2dxy 0.004566 -0.043780 0.015091 -0.059412 -0.022549 0.035848 27O 1f0 -0.000264 -0.001240 0.001748 -0.001798 -0.001692 0.000308 27O 1f+1 -0.002337 0.010693 -0.004905 0.014926 0.003406 -0.009723 27O 1f-1 0.000242 -0.002704 0.000596 -0.004658 -0.000575 0.002406 27O 1f+2 0.000442 0.002095 0.000366 0.001242 0.001398 -0.002536 27O 1f-2 0.001963 0.002280 0.004398 0.003115 0.000878 -0.002842 27O 1f+3 -0.004422 0.010214 -0.008386 0.013613 0.003271 -0.008017 27O 1f-3 0.002016 -0.008048 0.003823 -0.012019 -0.004556 0.007531 28O 1s 0.583412 -0.583265 0.480939 -0.208664 0.679545 -0.493267 28O 2s -0.722647 0.722881 -0.596268 0.259921 -0.846578 0.614707 28O 3s 0.781499 -0.780324 0.642259 -0.290661 0.947168 -0.681175 28O 4s -1.180409 1.118084 -0.933618 0.434251 -1.417296 1.007593 28O 5s 0.487602 -0.322435 0.455340 -0.201308 0.697946 -1.041091 28O 1pz -0.015486 0.024381 -0.008959 0.008001 -0.023163 0.014735 28O 1px 0.025281 -0.031193 0.020536 -0.009856 0.033653 -0.019096 28O 1py -0.000214 0.002759 0.002399 -0.001252 -0.001681 0.001403 28O 2pz 0.138126 -0.175114 0.085890 -0.060243 0.174753 -0.084152 28O 2px -0.214643 0.210457 -0.155660 0.066172 -0.223863 0.107746 28O 2py 0.004035 -0.025637 -0.006937 0.003958 0.024199 -0.008733 28O 3pz 0.131320 -0.140269 -0.065109 -0.054931 0.255886 -0.092923 28O 3px -0.067145 0.037994 0.021757 0.009139 0.029813 -0.204277 28O 3py 0.028679 -0.077765 -0.030513 -0.078149 0.156625 -0.137667 28O 1dz2 -0.002288 -0.002295 0.000242 -0.003735 0.003386 -0.002936 28O 1dxz -0.008889 0.011910 -0.003982 0.003861 -0.013938 0.009932 28O 1dyz -0.006374 -0.001003 -0.002081 0.000938 0.003343 -0.000613 28O 1dx2y2 0.004036 -0.005640 0.000763 -0.002607 0.005627 -0.003371 28O 1dxy -0.004756 0.003245 -0.002816 -0.000263 -0.004181 0.003883 28O 2dz2 0.006578 0.017720 -0.001901 0.018226 -0.023128 0.015703 28O 2dxz 0.075727 -0.089656 0.040815 -0.030832 0.100775 -0.055958 28O 2dyz 0.015809 0.013747 0.001392 -0.001588 -0.022605 0.006926 28O 2dx2y2 -0.045748 0.046613 -0.023209 0.016586 -0.047137 0.022346 28O 2dxy 0.017168 -0.019039 0.009194 0.000614 0.025604 -0.017814 28O 1f0 -0.005498 0.006713 -0.004346 0.002266 -0.006236 0.004151 28O 1f+1 -0.007223 0.009252 -0.004015 0.004750 -0.010779 0.006939 28O 1f-1 -0.002691 -0.002031 -0.003647 -0.000582 0.003466 -0.003940 28O 1f+2 0.010543 -0.015003 0.007865 -0.004762 0.016770 -0.010070 28O 1f-2 -0.000481 0.003780 -0.000412 0.000802 -0.006409 0.003125 28O 1f+3 0.003904 -0.007856 0.002611 -0.002492 0.008556 -0.006063 28O 1f-3 -0.004514 0.001892 -0.002883 -0.000873 -0.001275 0.000536 29O 1s 0.037561 0.055811 0.000283 -0.006328 -0.008475 0.002073 29O 2s -0.046596 -0.069080 -0.000360 0.007898 0.010637 -0.002590 29O 3s 0.054005 0.068446 0.000966 -0.009923 -0.016888 0.003321 29O 4s -0.074203 -0.065183 -0.001994 0.013194 0.025172 -0.005419 29O 5s -0.013841 -0.012550 -0.004866 0.014766 0.059164 0.000944 29O 1pz -0.001420 0.001283 -0.000538 -0.001472 0.002033 -0.001461 29O 1px 0.000790 -0.003663 -0.000050 -0.001517 -0.001206 -0.000383 29O 1py -0.002471 -0.002525 -0.000121 0.001157 0.002126 -0.000015 29O 2pz 0.008902 -0.003948 0.010084 0.005835 -0.011427 0.012143 29O 2px -0.008638 0.011632 0.002273 0.008027 0.010451 0.003291 29O 2py 0.016219 0.009140 0.000791 -0.005086 -0.013646 0.000354 29O 3pz 0.018323 -0.017143 0.004801 0.029228 -0.025951 -0.006816 29O 3px -0.000519 0.023373 0.002851 0.008724 -0.013781 -0.002022 29O 3py 0.038241 -0.021613 0.000819 -0.029802 -0.048741 0.000677 29O 1dz2 0.000254 -0.000253 -0.000298 -0.001513 0.000552 -0.000152 29O 1dxz 0.001817 -0.001168 -0.000288 0.001968 -0.002802 -0.000206 29O 1dyz -0.000423 0.000053 -0.001067 0.001942 0.000267 -0.000755 29O 1dx2y2 -0.000714 0.000550 -0.000301 0.001627 0.000322 -0.000217 29O 1dxy 0.001212 -0.000427 -0.000618 -0.001800 -0.002700 -0.000453 29O 2dz2 -0.005912 0.000931 -0.002008 0.003779 0.003726 -0.002066 29O 2dxz -0.007819 0.003501 0.002268 -0.003152 0.009590 0.001998 29O 2dyz -0.000705 0.000330 -0.001843 -0.007401 0.001869 -0.001952 29O 2dx2y2 0.002781 -0.003034 0.001292 -0.004240 -0.002012 0.001056 29O 2dxy 0.000296 0.001073 0.000037 0.002527 0.004010 -0.000176 29O 1f0 0.002305 0.000976 0.000696 -0.000568 -0.001701 0.000396 29O 1f+1 -0.001199 -0.000377 0.000261 -0.000719 0.001341 0.000068 29O 1f-1 0.002354 0.000195 0.000666 0.000107 -0.001925 0.000487 29O 1f+2 -0.000988 -0.000657 -0.000023 0.001168 0.000304 0.000024 29O 1f-2 0.000858 0.000370 -0.000857 -0.000711 -0.000144 -0.000525 29O 1f+3 -0.001187 0.000076 0.000084 -0.000125 0.001207 -0.000040 29O 1f-3 -0.000559 -0.000488 0.000574 0.001326 0.000859 0.000363 30O 1s -0.326514 -0.539674 -0.492268 -0.678670 -0.212450 0.494499 30O 2s 0.404447 0.668857 0.610320 0.845371 0.264685 -0.616240 30O 3s -0.436590 -0.721082 -0.657285 -0.944512 -0.296532 0.682461 30O 4s 0.647501 1.025231 0.954096 1.406390 0.444031 -1.007953 30O 5s -0.236395 -0.301289 -0.466311 -0.674022 -0.207981 1.056201 30O 1pz 0.008053 0.017682 0.008466 0.018780 0.004308 -0.010981 30O 1px -0.014069 -0.026738 -0.020674 -0.031503 -0.010271 0.017587 30O 1py -0.007925 -0.018689 -0.006481 -0.018021 -0.006817 0.011671 30O 2pz -0.066177 -0.123832 -0.074786 -0.137715 -0.033199 0.062218 30O 2px 0.111154 0.173767 0.152103 0.204000 0.067629 -0.097942 30O 2py 0.066027 0.133103 0.065994 0.139750 0.052229 -0.065891 30O 3pz -0.088715 -0.081829 0.042107 -0.154570 -0.081803 0.037075 30O 3px 0.023627 0.001713 -0.015548 -0.063715 -0.016781 0.241139 30O 3py 0.040099 0.127335 -0.057925 0.254488 0.049583 -0.115761 30O 1dz2 0.000204 0.000379 -0.001388 0.000214 0.003392 0.000634 30O 1dxz 0.003631 0.007528 0.002829 0.008910 0.002442 -0.006322 30O 1dyz -0.000429 0.006091 -0.000285 0.008825 0.001310 -0.004635 30O 1dx2y2 -0.001151 -0.000614 0.000199 -0.000082 0.001338 -0.000984 30O 1dxy -0.005785 -0.008898 -0.004626 -0.010327 -0.004022 0.008494 30O 2dz2 -0.006537 -0.008291 -0.003587 -0.006970 -0.016360 0.000415 30O 2dxz -0.032825 -0.056074 -0.030312 -0.067182 -0.017501 0.035736 30O 2dyz -0.012586 -0.048906 -0.015913 -0.062758 -0.014614 0.029378 30O 2dx2y2 0.011379 0.007533 0.010213 0.005464 -0.003303 0.002188 30O 2dxy 0.037035 0.063058 0.034330 0.074318 0.028435 -0.044754 30O 1f0 0.002931 0.009741 0.001899 0.011565 0.003513 -0.008616 30O 1f+1 0.002090 0.000913 0.001913 0.000975 -0.001397 -0.000339 30O 1f-1 0.000452 0.001692 -0.001019 0.002939 0.000838 -0.002114 30O 1f+2 -0.002623 -0.003990 -0.004948 -0.003883 -0.000737 0.001404 30O 1f-2 -0.005946 -0.013694 -0.006343 -0.017938 -0.005139 0.010368 30O 1f+3 0.001775 0.002282 0.002925 0.003051 0.002013 -0.001032 30O 1f-3 -0.005470 -0.009252 -0.007068 -0.009351 -0.004055 0.006038 31O 1s -0.324715 -0.545111 0.488480 0.676075 0.206404 0.500221 31O 2s 0.402219 0.675593 -0.605623 -0.842138 -0.257155 -0.623373 31O 3s -0.434227 -0.728314 0.652183 0.940929 0.288293 0.690489 31O 4s 0.644129 1.035818 -0.946676 -1.401196 -0.432185 -1.020128 31O 5s -0.234018 -0.306322 0.464066 0.669882 0.193515 1.061706 31O 1pz -0.008014 -0.017818 0.008351 0.018726 0.004171 0.011129 31O 1px 0.013996 0.026973 -0.020491 -0.031406 -0.010064 -0.017868 31O 1py 0.007894 0.018786 -0.006360 -0.017914 -0.006664 -0.011829 31O 2pz 0.065953 0.124852 -0.073956 -0.137353 -0.032583 -0.063344 31O 2px -0.110699 -0.175451 0.150836 0.203437 0.066732 0.099830 31O 2py -0.065822 -0.133954 0.065092 0.139142 0.051510 0.067190 31O 3pz 0.088865 0.081655 0.042476 -0.154310 -0.081655 -0.038592 31O 3px -0.023895 -0.001600 -0.015685 -0.062734 -0.013090 -0.241589 31O 3py -0.040147 -0.127203 -0.058964 0.253919 0.048655 0.117559 31O 1dz2 0.000209 0.000371 0.001381 -0.000226 -0.003393 0.000588 31O 1dxz 0.003626 0.007564 -0.002779 -0.008876 -0.002376 -0.006381 31O 1dyz -0.000426 0.006091 0.000319 -0.008792 -0.001246 -0.004688 31O 1dx2y2 -0.001144 -0.000618 -0.000209 0.000083 -0.001319 -0.001003 31O 1dxy -0.005767 -0.008945 0.004555 0.010273 0.003937 0.008593 31O 2dz2 -0.006523 -0.008334 0.003542 0.006970 0.016350 0.000667 31O 2dxz -0.032758 -0.056447 0.029939 0.066960 0.017176 0.036236 31O 2dyz -0.012554 -0.049099 0.015606 0.062540 0.014272 0.029832 31O 2dx2y2 0.011337 0.007662 -0.010132 -0.005469 0.003197 0.002196 31O 2dxy 0.036926 0.063440 -0.033851 -0.073992 -0.028005 -0.045463 31O 1f0 -0.002917 -0.009776 0.001833 0.011504 0.003407 0.008709 31O 1f+1 -0.002086 -0.000938 0.001909 0.000984 -0.001392 0.000328 31O 1f-1 -0.000457 -0.001688 -0.001019 0.002928 0.000806 0.002132 31O 1f+2 0.002613 0.004041 -0.004922 -0.003887 -0.000727 -0.001438 31O 1f-2 0.005919 0.013771 -0.006255 -0.017863 -0.005012 -0.010506 31O 1f+3 -0.001762 -0.002307 0.002902 0.003042 0.002002 0.001068 31O 1f-3 0.005450 0.009325 -0.007005 -0.009317 -0.003992 -0.006133 32O 1s 0.036574 0.056138 0.000254 0.006693 0.007861 0.002433 32O 2s -0.045374 -0.069484 -0.000305 -0.008346 -0.009872 -0.003041 32O 3s 0.052753 0.068820 -0.000368 0.010034 0.016138 0.003934 32O 4s -0.072553 -0.065708 0.001469 -0.012863 -0.024256 -0.006357 32O 5s -0.015670 -0.011142 0.005744 -0.011296 -0.060742 0.000169 32O 1pz 0.001364 -0.001311 -0.000554 -0.001515 0.001977 0.001479 32O 1px -0.000810 0.003650 -0.000021 -0.001472 -0.001238 0.000336 32O 1py 0.002471 0.002510 -0.000136 0.001062 0.002150 0.000115 32O 2pz -0.008242 0.004026 0.010137 0.006318 -0.010769 -0.012240 32O 2px 0.008947 -0.011709 0.002037 0.007497 0.010859 -0.002930 32O 2py -0.016328 -0.008983 0.001146 -0.004121 -0.013954 -0.001030 32O 3pz -0.017600 0.016432 0.005037 0.029610 -0.025574 0.006512 32O 3px 0.000573 -0.023447 0.002637 0.008461 -0.013589 0.001780 32O 3py -0.038679 0.022018 0.001494 -0.028350 -0.049303 -0.001364 32O 1dz2 0.000259 -0.000263 0.000333 0.001467 -0.000548 -0.000168 32O 1dxz 0.001820 -0.001162 0.000277 -0.002023 0.002817 -0.000176 32O 1dyz -0.000442 0.000041 0.001054 -0.001956 -0.000250 -0.000761 32O 1dx2y2 -0.000706 0.000547 0.000326 -0.001580 -0.000337 -0.000233 32O 1dxy 0.001207 -0.000419 0.000626 0.001841 0.002694 -0.000412 32O 2dz2 -0.005813 0.000969 0.001783 -0.003462 -0.003636 -0.001961 32O 2dxz -0.007937 0.003523 -0.002284 0.003418 -0.009761 0.001928 32O 2dyz -0.000682 0.000306 0.001960 0.007535 -0.001921 -0.002028 32O 2dx2y2 0.002747 -0.003047 -0.001485 0.003965 0.002068 0.001209 32O 2dxy 0.000341 0.000988 -0.000189 -0.002919 -0.003896 -0.000119 32O 1f0 -0.002151 -0.000969 0.000674 -0.000505 -0.001580 -0.000395 32O 1f+1 0.001309 0.000387 0.000260 -0.000682 0.001431 -0.000062 32O 1f-1 -0.002420 -0.000201 0.000696 0.000240 -0.002002 -0.000533 32O 1f+2 0.001047 0.000670 -0.000028 0.001145 0.000350 -0.000004 32O 1f-2 -0.000849 -0.000322 -0.000848 -0.000627 -0.000172 0.000516 32O 1f+3 0.001176 -0.000112 0.000051 -0.000223 0.001218 0.000089 32O 1f-3 0.000551 0.000471 0.000580 0.001307 0.000865 -0.000338 33O 1s 0.583131 -0.581733 -0.486069 0.209211 -0.672245 -0.501742 33O 2s -0.722298 0.720982 0.602628 -0.260601 0.837484 0.625269 33O 3s 0.781104 -0.778328 -0.649155 0.291392 -0.937116 -0.693053 33O 4s -1.179780 1.115506 0.943736 -0.435350 1.402625 1.025632 33O 5s 0.487870 -0.320603 -0.459249 0.202936 -0.683194 -1.049815 33O 1pz 0.015476 -0.024353 -0.009132 0.008012 -0.022920 -0.015004 33O 1px -0.025284 0.031169 0.020792 -0.009878 0.033422 0.019547 33O 1py 0.000229 -0.002824 0.002370 -0.001234 -0.001716 -0.001471 33O 2pz -0.137928 0.174875 0.087181 -0.060273 0.173326 0.086289 33O 2px 0.214597 -0.210352 -0.157555 0.066275 -0.222576 -0.110806 33O 2py -0.004203 0.026013 -0.006657 0.003832 0.024471 0.009317 33O 3pz -0.131232 0.140458 -0.063781 -0.054350 0.253981 0.096336 33O 3px 0.067057 -0.038429 0.021403 0.008485 0.027243 0.204699 33O 3py -0.028888 0.078083 -0.029937 -0.078424 0.154530 0.139204 33O 1dz2 -0.002276 -0.002275 -0.000252 0.003760 -0.003308 -0.002947 33O 1dxz -0.008865 0.011891 0.004073 -0.003863 0.013774 0.010109 33O 1dyz -0.006373 -0.001013 0.002103 -0.000922 -0.003366 -0.000669 33O 1dx2y2 0.004054 -0.005665 -0.000817 0.002606 -0.005573 -0.003430 33O 1dxy -0.004758 0.003252 0.002846 0.000242 0.004150 0.003945 33O 2dz2 0.006602 0.017549 0.001948 -0.018287 0.022659 0.015831 33O 2dxz 0.075602 -0.089547 -0.041521 0.030829 -0.099854 -0.057239 33O 2dyz 0.015764 0.013812 -0.001368 0.001488 0.022668 0.007288 33O 2dx2y2 -0.045808 0.046690 0.023676 -0.016562 0.046825 0.022944 33O 2dxy 0.017236 -0.019153 -0.009382 -0.000496 -0.025533 -0.018223 33O 1f0 0.005499 -0.006729 -0.004398 0.002277 -0.006213 -0.004253 33O 1f+1 0.007203 -0.009201 -0.004068 0.004745 -0.010614 -0.007035 33O 1f-1 0.002681 0.002049 -0.003643 -0.000600 0.003410 0.003985 33O 1f+2 -0.010540 0.014982 0.007987 -0.004763 0.016613 0.010281 33O 1f-2 0.000497 -0.003805 -0.000441 0.000827 -0.006399 -0.003229 33O 1f+3 -0.003919 0.007859 0.002683 -0.002490 0.008474 0.006168 33O 1f-3 0.004527 -0.001914 -0.002919 -0.000858 -0.001306 -0.000578 34O 1s 0.226783 -0.410732 -0.492552 0.661078 0.181580 0.489063 34O 2s -0.280906 0.509080 0.610679 -0.823471 -0.226204 -0.609485 34O 3s 0.303605 -0.548174 -0.657342 0.919451 0.251871 0.674963 34O 4s -0.461184 0.759621 0.952869 -1.360588 -0.371213 -0.991349 34O 5s 0.215096 -0.162758 -0.467030 0.659977 0.208259 1.033393 34O 1pz -0.001832 0.001852 0.005056 -0.003433 -0.002800 -0.001761 34O 1px 0.010582 -0.030172 -0.022524 0.039255 0.010187 0.023374 34O 1py -0.000785 0.006823 -0.001380 -0.005753 -0.003128 -0.004404 34O 2pz 0.014510 -0.003930 -0.030053 0.011479 0.014356 0.008700 34O 2px -0.094032 0.190357 0.178062 -0.265606 -0.065747 -0.128433 34O 2py 0.007640 -0.052574 -0.005589 0.055639 0.023879 0.025815 34O 3pz -0.044652 0.068570 -0.026849 -0.135326 -0.080280 -0.158234 34O 3px -0.051303 0.080486 -0.054816 -0.106850 -0.023432 0.119333 34O 3py -0.003586 -0.100343 0.050182 0.236808 0.043057 0.188102 34O 1dz2 -0.000717 0.005863 0.001036 -0.007267 -0.003474 -0.004977 34O 1dxz -0.001265 -0.000927 -0.000555 0.002363 -0.001856 0.001872 34O 1dyz 0.003643 0.000728 -0.003287 -0.000293 0.001290 0.002008 34O 1dx2y2 0.003269 -0.007696 -0.003891 0.011258 0.001384 0.007939 34O 1dxy -0.000326 0.006490 0.001837 -0.008739 -0.003505 -0.006670 34O 2dz2 0.014328 -0.042036 -0.021832 0.056073 0.018810 0.029923 34O 2dxz 0.007477 0.004740 -0.004257 -0.010039 0.008908 -0.007445 34O 2dyz -0.011706 -0.004017 0.007334 0.002235 -0.004835 -0.006188 34O 2dx2y2 -0.027700 0.056091 0.040630 -0.082654 -0.014624 -0.044717 34O 2dxy 0.004507 -0.043854 -0.015289 0.059303 0.022006 0.036438 34O 1f0 0.000267 0.001236 0.001757 -0.001803 -0.001685 -0.000341 34O 1f+1 0.002323 -0.010678 -0.004948 0.014861 0.003253 0.009833 34O 1f-1 -0.000238 0.002715 0.000605 -0.004649 -0.000538 -0.002439 34O 1f+2 -0.000443 -0.002103 0.000352 0.001233 0.001362 0.002563 34O 1f-2 -0.001947 -0.002323 0.004378 0.003087 0.000847 0.002865 34O 1f+3 0.004400 -0.010155 -0.008431 0.013534 0.003134 0.008108 34O 1f-3 -0.002001 0.008052 0.003857 -0.011992 -0.004435 -0.007654 35O 1s -0.688671 -0.364496 0.509021 0.186981 -0.661403 -0.499650 35O 2s 0.853064 0.451783 -0.631115 -0.232907 0.824035 0.622695 35O 3s -0.920658 -0.485790 0.679545 0.259260 -0.921992 -0.689889 35O 4s 1.369592 0.664509 -0.985272 -0.381442 1.365873 1.013590 35O 5s -0.541526 -0.134955 0.484854 0.215974 -0.634495 -1.047598 35O 1pz 0.000607 -0.003147 -0.004040 0.001631 -0.000947 -0.001694 35O 1px -0.034319 -0.025696 0.022806 0.011089 -0.037030 -0.022404 35O 1py -0.012793 -0.011605 0.006258 0.002411 -0.015143 -0.009302 35O 2pz 0.000223 0.030259 0.015295 -0.015117 0.024914 0.011243 35O 2px 0.279711 0.154361 -0.177048 -0.070216 0.249026 0.123505 35O 2py 0.106600 0.076566 -0.057820 -0.018831 0.113173 0.052453 35O 3pz 0.080647 0.099912 0.047190 -0.045962 0.242723 0.218791 35O 3px 0.127775 0.041930 0.044099 0.010349 0.086816 -0.154010 35O 3py 0.071692 0.073233 0.046743 -0.075260 0.170329 0.080969 35O 1dz2 0.009650 0.004104 -0.003748 -0.000261 0.007533 0.005882 35O 1dxz -0.002375 -0.004146 0.002244 0.003416 -0.005491 -0.005665 35O 1dyz 0.006313 -0.003060 -0.002340 0.000287 -0.003033 -0.000334 35O 1dx2y2 -0.005924 -0.004336 0.001661 0.003989 -0.006064 -0.004077 35O 1dxy -0.005796 -0.007721 0.002455 0.001877 -0.011466 -0.008011 35O 2dz2 -0.063363 -0.029848 0.028364 0.007910 -0.053416 -0.031295 35O 2dxz 0.012148 0.026787 -0.008245 -0.018529 0.036301 0.027981 35O 2dyz -0.015072 0.018196 0.002929 -0.004361 0.020069 0.006186 35O 2dx2y2 0.060871 0.032284 -0.028903 -0.023660 0.051211 0.026300 35O 2dxy 0.059345 0.052694 -0.030612 -0.014813 0.082799 0.045489 35O 1f0 -0.002688 -0.002361 0.000980 0.002551 -0.004121 -0.002621 35O 1f+1 -0.011571 -0.007034 0.007371 0.003117 -0.010300 -0.006812 35O 1f-1 -0.004761 -0.002983 0.004340 0.001348 -0.006165 -0.001992 35O 1f+2 0.005099 -0.000044 -0.003525 -0.000302 0.001518 -0.000095 35O 1f-2 -0.000561 0.004527 0.001969 -0.002251 0.007008 0.005043 35O 1f+3 -0.004192 -0.004209 0.002888 0.002879 -0.005252 -0.003702 35O 1f-3 -0.012469 -0.012521 0.006636 0.004274 -0.019108 -0.012443 768 769 45.33192 45.94804 0.00000 0.00000 -------- -------- 0Rh 1s -0.424215 -0.437324 0Rh 2s -2.461253 -2.547325 0Rh 3s -4.172756 -4.307687 0Rh 4s 7.298037 7.577789 0Rh 5s -3.983055 -4.247759 0Rh 6s 2.145756 2.408228 0Rh 7s -1.783281 -2.511480 0Rh 8s 0.081229 -0.533860 0Rh 1pz 0.000081 -0.000772 0Rh 1px -0.000529 0.002451 0Rh 1py -0.000125 0.000435 0Rh 2pz -0.000402 0.003580 0Rh 2px 0.002542 -0.011372 0Rh 2py 0.000598 -0.002013 0Rh 3pz 0.002440 -0.017174 0Rh 3px -0.014130 0.054616 0Rh 3py -0.003280 0.009584 0Rh 4pz -0.005626 0.033267 0Rh 4px 0.032362 -0.105996 0Rh 4py 0.007659 -0.018168 0Rh 5pz 0.002132 -0.021346 0Rh 5px -0.029306 0.068692 0Rh 5py -0.010664 0.008751 0Rh 6pz 0.130945 -0.411359 0Rh 6px -0.281999 1.233481 0Rh 6py 0.096663 0.302035 0Rh 1dz2 -0.000977 -0.000063 0Rh 1dxz -0.001151 0.000175 0Rh 1dyz -0.000386 -0.000140 0Rh 1dx2y2 0.001839 0.000036 0Rh 1dxy 0.001143 0.000365 0Rh 2dz2 0.003491 0.000236 0Rh 2dxz 0.004134 -0.000578 0Rh 2dyz 0.001347 0.000481 0Rh 2dx2y2 -0.006581 -0.000148 0Rh 2dxy -0.004003 -0.001255 0Rh 3dz2 -0.008323 -0.000537 0Rh 3dxz -0.009991 0.001210 0Rh 3dyz -0.003039 -0.001009 0Rh 3dx2y2 0.015781 0.000283 0Rh 3dxy 0.009087 0.002625 0Rh 4dz2 0.021903 0.000970 0Rh 4dxz 0.027090 -0.002525 0Rh 4dyz 0.007046 0.001822 0Rh 4dx2y2 -0.042099 0.000087 0Rh 4dxy -0.021384 -0.004590 0Rh 5dz2 -0.102468 -0.003149 0Rh 5dxz -0.132300 0.006023 0Rh 5dyz -0.027501 -0.004327 0Rh 5dx2y2 0.201746 -0.001619 0Rh 5dxy 0.084710 0.008882 0Rh 1f0 -0.003577 0.003848 0Rh 1f+1 0.003243 -0.002838 0Rh 1f-1 0.001571 0.000157 0Rh 1f+2 0.005544 -0.004219 0Rh 1f-2 0.002416 -0.001409 0Rh 1f+3 0.006084 -0.005321 0Rh 1f-3 0.003349 -0.003499 1Rh 1s -0.424495 0.437045 1Rh 2s -2.462881 2.545699 1Rh 3s -4.175516 4.304939 1Rh 4s 7.302860 -7.572951 1Rh 5s -3.985675 4.245037 1Rh 6s 2.147144 -2.406665 1Rh 7s -1.784418 2.509792 1Rh 8s 0.080776 0.533767 1Rh 1pz -0.000077 -0.000773 1Rh 1px 0.000530 0.002448 1Rh 1py 0.000119 0.000435 1Rh 2pz 0.000385 0.003584 1Rh 2px -0.002549 -0.011356 1Rh 2py -0.000572 -0.002016 1Rh 3pz -0.002369 -0.017183 1Rh 3px 0.014160 0.054542 1Rh 3py 0.003156 0.009599 1Rh 4pz 0.005514 0.033246 1Rh 4px -0.032419 -0.105853 1Rh 4py -0.007412 -0.018193 1Rh 5pz -0.002137 -0.021243 1Rh 5px 0.029383 0.068553 1Rh 5py 0.010393 0.008775 1Rh 6pz -0.131510 -0.408552 1Rh 6px 0.280164 1.234782 1Rh 6py -0.094913 0.300751 1Rh 1dz2 -0.000977 0.000056 1Rh 1dxz -0.001151 -0.000174 1Rh 1dyz -0.000387 0.000140 1Rh 1dx2y2 0.001836 -0.000029 1Rh 1dxy 0.001134 -0.000362 1Rh 2dz2 0.003491 -0.000212 1Rh 2dxz 0.004134 0.000571 1Rh 2dyz 0.001351 -0.000481 1Rh 2dx2y2 -0.006571 0.000123 1Rh 2dxy -0.003972 0.001244 1Rh 3dz2 -0.008324 0.000485 1Rh 3dxz -0.009992 -0.001197 1Rh 3dyz -0.003050 0.001012 1Rh 3dx2y2 0.015758 -0.000228 1Rh 3dxy 0.009022 -0.002601 1Rh 4dz2 0.021906 -0.000871 1Rh 4dxz 0.027087 0.002504 1Rh 4dyz 0.007084 -0.001835 1Rh 4dx2y2 -0.042054 -0.000199 1Rh 4dxy -0.021259 0.004540 1Rh 5dz2 -0.102479 0.002936 1Rh 5dxz -0.132175 -0.006054 1Rh 5dyz -0.027639 0.004398 1Rh 5dx2y2 0.201600 0.001911 1Rh 5dxy 0.084347 -0.008741 1Rh 1f0 0.003587 0.003828 1Rh 1f+1 -0.003233 -0.002845 1Rh 1f-1 -0.001577 0.000182 1Rh 1f+2 -0.005517 -0.004253 1Rh 1f-2 -0.002383 -0.001429 1Rh 1f+3 -0.006096 -0.005299 1Rh 1f-3 -0.003350 -0.003493 2C 1s -0.000490 -0.001223 2C 2s 0.000553 0.002450 2C 3s 0.076176 -0.007250 2C 4s -0.432365 0.013235 2C 5s 0.086921 -0.137416 2C 1pz 0.006044 0.000126 2C 1px -0.000522 -0.001888 2C 1py 0.004865 -0.000523 2C 2pz -0.180651 0.001797 2C 2px -0.027874 0.011197 2C 2py -0.130550 0.003268 2C 3pz -0.001976 -0.031232 2C 3px -0.077196 0.046845 2C 3py 0.015838 -0.002975 2C 1dz2 -0.005780 0.003238 2C 1dxz -0.001741 -0.003812 2C 1dyz -0.010076 -0.001211 2C 1dx2y2 0.001471 -0.002814 2C 1dxy -0.002567 -0.003434 2C 2dz2 -0.038136 -0.008190 2C 2dxz -0.030966 0.008362 2C 2dyz -0.051000 0.013525 2C 2dx2y2 0.018978 0.016738 2C 2dxy -0.010386 0.010951 2C 1f0 -0.003413 -0.002069 2C 1f+1 -0.002975 0.002777 2C 1f-1 -0.016177 -0.001031 2C 1f+2 0.008384 0.000485 2C 1f-2 -0.007861 0.002944 2C 1f+3 -0.001190 0.002299 2C 1f-3 0.000356 -0.000683 3C 1s -0.000428 -0.000915 3C 2s 0.000433 0.001822 3C 3s 0.075945 -0.002618 3C 4s -0.434144 -0.006387 3C 5s 0.087831 -0.146014 3C 1pz 0.005468 0.000910 3C 1px 0.001408 -0.001543 3C 1py -0.005382 -0.000507 3C 2pz -0.125252 -0.011314 3C 2px -0.064892 0.005739 3C 2py 0.180163 0.009356 3C 3pz 0.052415 -0.032288 3C 3px -0.030937 0.044463 3C 3py 0.026355 0.031169 3C 1dz2 0.002826 0.001576 3C 1dxz -0.002106 -0.000006 3C 1dyz 0.009350 -0.000886 3C 1dx2y2 0.004857 -0.003346 3C 1dxy 0.005075 0.005559 3C 2dz2 0.010576 -0.006148 3C 2dxz -0.019554 -0.010859 3C 2dyz 0.039726 -0.000255 3C 2dx2y2 0.048141 0.014547 3C 2dxy 0.036913 -0.018040 3C 1f0 0.009430 -0.000485 3C 1f+1 0.000504 -0.001094 3C 1f-1 -0.000293 0.001566 3C 1f+2 0.012965 0.003169 3C 1f-2 0.009197 -0.002282 3C 1f+3 -0.007357 0.001870 3C 1f-3 0.004117 0.002576 4C 1s 0.001829 -0.000351 4C 2s -0.004070 0.000680 4C 3s -0.114533 0.003176 4C 4s 0.513306 -0.033674 4C 5s -0.040683 0.068741 4C 1pz 0.017047 -0.002742 4C 1px 0.004368 0.012067 4C 1py 0.011270 0.002432 4C 2pz -0.139303 0.106203 4C 2px -0.056957 -0.346707 4C 2py -0.101728 -0.064826 4C 3pz -0.253659 -0.063857 4C 3px -0.004438 0.097955 4C 3py -0.176078 0.001036 4C 1dz2 -0.004319 0.004393 4C 1dxz -0.005303 -0.008422 4C 1dyz -0.000661 -0.000239 4C 1dx2y2 0.009544 -0.000410 4C 1dxy 0.002943 -0.006605 4C 2dz2 0.036130 0.066041 4C 2dxz -0.038067 -0.098452 4C 2dyz 0.097037 0.003766 4C 2dx2y2 0.044359 -0.015986 4C 2dxy 0.043364 -0.080833 4C 1f0 -0.012852 0.002268 4C 1f+1 -0.025986 -0.004867 4C 1f-1 -0.018222 0.010354 4C 1f+2 0.027541 0.009364 4C 1f-2 -0.006391 -0.015021 4C 1f+3 0.001520 0.007306 4C 1f-3 -0.019963 0.013453 5C 1s 0.001616 -0.000849 5C 2s -0.003629 0.001754 5C 3s -0.110888 -0.001200 5C 4s 0.490556 -0.015228 5C 5s -0.060951 0.028719 5C 1pz 0.010158 -0.003300 5C 1px 0.005637 0.012190 5C 1py -0.017410 0.001753 5C 2pz -0.093001 0.105379 5C 2px -0.049817 -0.362074 5C 2py 0.157659 -0.051092 5C 3pz -0.164527 -0.066221 5C 3px -0.120110 0.068804 5C 3py 0.245412 0.076230 5C 1dz2 -0.004354 0.004095 5C 1dxz -0.006890 -0.004771 5C 1dyz -0.000893 -0.004018 5C 1dx2y2 0.007886 -0.004685 5C 1dxy 0.002780 0.008796 5C 2dz2 -0.056687 0.039161 5C 2dxz -0.006369 -0.042875 5C 2dyz -0.101541 -0.047300 5C 2dx2y2 0.012870 -0.080082 5C 2dxy -0.034875 0.098100 5C 1f0 0.000776 -0.008747 5C 1f+1 -0.015521 0.011655 5C 1f-1 0.003130 -0.008371 5C 1f+2 0.012186 -0.001111 5C 1f-2 0.023686 0.018914 5C 1f+3 -0.026835 0.004218 5C 1f-3 0.023572 -0.007098 6C 1s 0.001657 0.000876 6C 2s -0.003717 -0.001810 6C 3s -0.111509 0.000808 6C 4s 0.494914 0.018125 6C 5s -0.060484 -0.029155 6C 1pz -0.010151 -0.003306 6C 1px -0.005660 0.012170 6C 1py 0.017383 0.001730 6C 2pz 0.091689 0.104436 6C 2px 0.050713 -0.359934 6C 2py -0.155886 -0.050002 6C 3pz 0.163513 -0.067871 6C 3px 0.119927 0.069940 6C 3py -0.244701 0.078251 6C 1dz2 -0.004409 -0.004077 6C 1dxz -0.006986 0.004695 6C 1dyz -0.000981 0.003938 6C 1dx2y2 0.007936 0.004645 6C 1dxy 0.002845 -0.008686 6C 2dz2 -0.057034 -0.039425 6C 2dxz -0.007264 0.042190 6C 2dyz -0.101830 0.046919 6C 2dx2y2 0.013657 0.080383 6C 2dxy -0.034155 -0.097475 6C 1f0 -0.000677 -0.008685 6C 1f+1 0.015596 0.011661 6C 1f-1 -0.003104 -0.008358 6C 1f+2 -0.012189 -0.001138 6C 1f-2 -0.023839 0.018741 6C 1f+3 0.026921 0.004238 6C 1f-3 -0.023700 -0.007198 7C 1s 0.001853 0.000365 7C 2s -0.004121 -0.000707 7C 3s -0.115208 -0.002976 7C 4s 0.517654 0.033120 7C 5s -0.039959 -0.070830 7C 1pz -0.017004 -0.002717 7C 1px -0.004337 0.012056 7C 1py -0.011303 0.002428 7C 2pz 0.137988 0.105685 7C 2px 0.056251 -0.344908 7C 2py 0.101315 -0.064270 7C 3pz 0.252551 -0.064041 7C 3px 0.003597 0.099495 7C 3py 0.174883 0.001472 7C 1dz2 -0.004390 -0.004335 7C 1dxz -0.005342 0.008355 7C 1dyz -0.000605 0.000270 7C 1dx2y2 0.009597 0.000362 7C 1dxy 0.002987 0.006537 7C 2dz2 0.035452 -0.065688 7C 2dxz -0.038746 0.097971 7C 2dyz 0.097193 -0.004040 7C 2dx2y2 0.045068 0.015874 7C 2dxy 0.043692 0.080825 7C 1f0 0.012844 0.002244 7C 1f+1 0.026071 -0.004884 7C 1f-1 0.018231 0.010351 7C 1f+2 -0.027678 0.009320 7C 1f-2 0.006412 -0.015013 7C 1f+3 -0.001520 0.007252 7C 1f-3 0.020154 0.013345 8C 1s -0.000416 0.000941 8C 2s 0.000408 -0.001875 8C 3s 0.075982 0.002792 8C 4s -0.433683 0.006091 8C 5s 0.089527 0.150237 8C 1pz -0.005445 0.000912 8C 1px -0.001386 -0.001561 8C 1py 0.005418 -0.000500 8C 2pz 0.124741 -0.011306 8C 2px 0.064586 0.005853 8C 2py -0.180029 0.009277 8C 3pz -0.052314 -0.032617 8C 3px 0.032212 0.044191 8C 3py -0.025276 0.031790 8C 1dz2 0.002828 -0.001616 8C 1dxz -0.002101 0.000021 8C 1dyz 0.009344 0.000873 8C 1dx2y2 0.004860 0.003382 8C 1dxy 0.005064 -0.005540 8C 2dz2 0.010614 0.006469 8C 2dxz -0.019512 0.010779 8C 2dyz 0.039771 0.000559 8C 2dx2y2 0.047792 -0.014694 8C 2dxy 0.036946 0.017910 8C 1f0 -0.009429 -0.000519 8C 1f+1 -0.000546 -0.001087 8C 1f-1 0.000263 0.001537 8C 1f+2 -0.012960 0.003157 8C 1f-2 -0.009209 -0.002246 8C 1f+3 0.007326 0.001881 8C 1f-3 -0.004134 0.002553 9C 1s -0.000479 0.001259 9C 2s 0.000531 -0.002523 9C 3s 0.076265 0.007419 9C 4s -0.432236 -0.013482 9C 5s 0.088737 0.140325 9C 1pz -0.006090 0.000123 9C 1px 0.000536 -0.001895 9C 1py -0.004822 -0.000534 9C 2pz 0.180487 0.001845 9C 2px 0.027687 0.011258 9C 2py 0.130441 0.003404 9C 3pz 0.000129 -0.031478 9C 3px 0.077859 0.046785 9C 3py -0.013696 -0.003157 9C 1dz2 -0.005736 -0.003227 9C 1dxz -0.001711 0.003754 9C 1dyz -0.010104 0.001194 9C 1dx2y2 0.001494 0.002799 9C 1dxy -0.002557 0.003545 9C 2dz2 -0.037524 0.008063 9C 2dxz -0.030535 -0.007959 9C 2dyz -0.051428 -0.013569 9C 2dx2y2 0.019228 -0.016607 9C 2dxy -0.010649 -0.011645 9C 1f0 0.003267 -0.002068 9C 1f+1 0.002906 0.002761 9C 1f-1 0.016168 -0.001006 9C 1f+2 -0.008571 0.000527 9C 1f-2 0.007769 0.002926 9C 1f+3 0.001231 0.002316 9C 1f-3 -0.000357 -0.000609 10H 1s -0.000326 0.002501 10H 2s -0.006479 -0.024876 10H 3s 0.023008 0.012280 10H 1pz 0.006537 -0.003599 10H 1px 0.000428 -0.000132 10H 1py 0.003577 -0.001387 11H 1s 0.007207 -0.003115 11H 2s 0.002701 0.027058 11H 3s -0.089308 0.022031 11H 1pz 0.003299 0.004145 11H 1px 0.006966 0.002872 11H 1py -0.003574 0.000811 12H 1s 0.004170 -0.004411 12H 2s -0.010046 0.035515 12H 3s -0.048215 0.022971 12H 1pz 0.000291 0.003227 12H 1px 0.004131 0.003564 12H 1py 0.003059 0.004421 13H 1s 0.000377 0.003003 13H 2s -0.009914 -0.027497 13H 3s 0.012467 0.007993 13H 1pz 0.002703 -0.001773 13H 1px 0.000854 -0.000032 13H 1py -0.005690 0.004312 14H 1s 0.003261 -0.004647 14H 2s -0.014781 0.035095 14H 3s -0.032288 0.021307 14H 1pz 0.000266 0.001881 14H 1px 0.003813 0.004466 14H 1py -0.002112 -0.003818 15H 1s 0.007944 -0.002499 15H 2s 0.004323 0.020748 15H 3s -0.095606 0.021010 15H 1pz -0.006788 0.000086 15H 1px 0.002917 0.001655 15H 1py -0.004921 -0.003766 16H 1s 0.012659 0.009085 16H 2s -0.101787 -0.112286 16H 3s 0.023155 0.025292 16H 1pz -0.013186 -0.027644 16H 1px 0.006054 0.011358 16H 1py 0.003207 -0.003575 17H 1s 0.012747 0.009123 17H 2s -0.096188 -0.108662 17H 3s 0.024617 0.027526 17H 1pz 0.006545 0.013316 17H 1px 0.012177 0.025506 17H 1py 0.002588 -0.006773 18H 1s 0.012777 -0.009127 18H 2s -0.095522 0.108378 18H 3s 0.024595 -0.027489 18H 1pz -0.006505 0.013521 18H 1px -0.011927 0.025434 18H 1py -0.002959 -0.006215 19H 1s 0.012661 -0.009096 19H 2s -0.102171 0.112492 19H 3s 0.023123 -0.025224 19H 1pz 0.013256 -0.027555 19H 1px -0.006184 0.011528 19H 1py -0.002793 -0.004144 20H 1s 0.007914 0.002568 20H 2s 0.003924 -0.021402 20H 3s -0.095489 -0.021604 20H 1pz 0.006739 0.000080 20H 1px -0.002994 0.001710 20H 1py 0.004811 -0.003875 21H 1s 0.003334 0.004656 21H 2s -0.014746 -0.035287 21H 3s -0.033459 -0.021893 21H 1pz -0.000269 0.001938 21H 1px -0.003850 0.004505 21H 1py 0.002022 -0.003822 22H 1s 0.000378 -0.002959 22H 2s -0.009832 0.027347 22H 3s 0.013060 -0.008317 22H 1pz -0.002739 -0.001762 22H 1px -0.000905 -0.000069 22H 1py 0.005725 0.004294 23H 1s 0.004304 0.004400 23H 2s -0.009876 -0.035593 23H 3s -0.050075 -0.023531 23H 1pz -0.000127 0.003195 23H 1px -0.004133 0.003515 23H 1py -0.003141 0.004531 24H 1s 0.007125 0.003230 24H 2s 0.002078 -0.027939 24H 3s -0.088420 -0.022591 24H 1pz -0.003167 0.004254 24H 1px -0.006962 0.002990 24H 1py 0.003354 0.000890 25H 1s -0.000342 -0.002446 25H 2s -0.006217 0.024603 25H 3s 0.023440 -0.012603 25H 1pz -0.006573 -0.003529 25H 1px -0.000420 -0.000168 25H 1py -0.003663 -0.001419 26O 1s 0.102331 -0.032297 26O 2s -0.131122 0.042102 26O 3s 0.192629 -0.065775 26O 4s -0.466818 0.062681 26O 5s 0.707081 0.604697 26O 1pz -0.002457 -0.008660 26O 1px -0.005098 0.011741 26O 1py -0.003493 -0.000908 26O 2pz -0.002246 0.007337 26O 2px 0.054707 -0.107572 26O 2py 0.019539 -0.035167 26O 3pz 0.355907 0.263718 26O 3px 0.080739 -0.102727 26O 3py 0.238268 0.115228 26O 1dz2 -0.004289 -0.006404 26O 1dxz -0.004715 0.001077 26O 1dyz -0.009970 -0.010920 26O 1dx2y2 0.001300 -0.000692 26O 1dxy -0.004780 -0.002401 26O 2dz2 0.029588 0.008588 26O 2dxz 0.013221 0.002617 26O 2dyz 0.035634 0.039984 26O 2dx2y2 -0.022092 0.016521 26O 2dxy 0.000332 0.025978 26O 1f0 -0.001161 0.000282 26O 1f+1 0.001246 0.004372 26O 1f-1 0.001698 0.004363 26O 1f+2 -0.002216 -0.001953 26O 1f-2 0.004928 0.001861 26O 1f+3 -0.000618 0.002493 26O 1f-3 -0.003256 0.003629 27O 1s 0.094770 -0.040826 27O 2s -0.121464 0.053177 27O 3s 0.181249 -0.082291 27O 4s -0.450531 0.097952 27O 5s 0.639779 0.577046 27O 1pz -0.001409 -0.007305 27O 1px -0.007058 0.010979 27O 1py 0.003652 0.007288 27O 2pz -0.006510 0.020126 27O 2px 0.069344 -0.115784 27O 2py -0.008926 0.005442 27O 3pz 0.178680 0.161929 27O 3px 0.114121 -0.084469 27O 3py -0.314862 -0.215488 27O 1dz2 0.004054 0.003484 27O 1dxz -0.003488 0.000210 27O 1dyz 0.008383 0.011359 27O 1dx2y2 0.003092 0.003499 27O 1dxy 0.007605 0.002937 27O 2dz2 0.000469 -0.025623 27O 2dxz 0.016857 -0.001342 27O 2dyz -0.031531 -0.037761 27O 2dx2y2 -0.035224 0.009684 27O 2dxy -0.017678 -0.022575 27O 1f0 -0.001033 -0.002944 27O 1f+1 -0.002841 0.002845 27O 1f-1 0.001413 -0.000819 27O 1f+2 -0.002220 -0.001169 27O 1f-2 -0.004839 -0.002786 27O 1f+3 0.001349 0.006024 27O 1f-3 0.002407 -0.002568 28O 1s 0.096817 0.038091 28O 2s -0.124110 -0.049585 28O 3s 0.186367 0.074851 28O 4s -0.463643 -0.076725 28O 5s 0.604936 -0.535830 28O 1pz -0.006541 0.001745 28O 1px 0.005709 0.012896 28O 1py -0.001738 0.006249 28O 2pz 0.044850 0.048366 28O 2px -0.068366 -0.092285 28O 2py 0.000363 -0.005921 28O 3pz 0.318573 -0.157367 28O 3px 0.050361 -0.172052 28O 3py 0.231016 -0.169256 28O 1dz2 -0.006303 0.002819 28O 1dxz 0.000629 0.002537 28O 1dyz -0.010678 0.010724 28O 1dx2y2 0.001887 0.000659 28O 1dxy -0.000865 0.005458 28O 2dz2 0.021458 -0.013480 28O 2dxz 0.025101 0.013081 28O 2dyz 0.036095 -0.039162 28O 2dx2y2 -0.024253 -0.014017 28O 2dxy 0.006706 -0.014361 28O 1f0 0.000475 -0.002752 28O 1f+1 -0.001938 -0.002018 28O 1f-1 0.006033 -0.004025 28O 1f+2 0.000590 0.005893 28O 1f-2 -0.002032 -0.001024 28O 1f+3 0.001701 0.001803 28O 1f-3 0.001466 -0.000567 29O 1s 0.108444 -0.033853 29O 2s -0.138931 0.043897 29O 3s 0.184317 -0.065417 29O 4s -0.349348 0.094818 29O 5s 0.575980 -0.008391 29O 1pz 0.002658 -0.001661 29O 1px -0.006054 0.006180 29O 1py 0.001837 0.004930 29O 2pz -0.019984 -0.007400 29O 2px 0.048303 0.010265 29O 2py -0.011644 -0.034838 29O 3pz 0.055427 -0.007260 29O 3px -0.194178 -0.002843 29O 3py -0.090094 -0.053423 29O 1dz2 0.001401 0.003135 29O 1dxz 0.003176 0.005715 29O 1dyz 0.000718 0.001375 29O 1dx2y2 -0.007071 -0.010684 29O 1dxy -0.001912 -0.003796 29O 2dz2 0.000858 0.002052 29O 2dxz -0.004085 -0.006576 29O 2dyz -0.000160 -0.001602 29O 2dx2y2 0.013982 0.023108 29O 2dxy 0.000645 0.001157 29O 1f0 0.000190 -0.004433 29O 1f+1 -0.000981 0.001480 29O 1f-1 -0.002391 -0.005029 29O 1f+2 -0.000292 0.004065 29O 1f-2 -0.001388 -0.002471 29O 1f+3 0.001618 0.006592 29O 1f-3 -0.000451 0.001736 30O 1s 0.102030 0.030254 30O 2s -0.130741 -0.039417 30O 3s 0.192406 0.060162 30O 4s -0.467452 -0.044654 30O 5s 0.707792 -0.589627 30O 1pz -0.003929 -0.000132 30O 1px 0.003945 0.014011 30O 1py 0.003891 -0.002815 30O 2pz 0.024375 0.041497 30O 2px -0.051560 -0.088389 30O 2py -0.020361 -0.036606 30O 3pz 0.234192 -0.090804 30O 3px 0.134371 -0.217142 30O 3py -0.352745 0.191260 30O 1dz2 0.000557 -0.003714 30O 1dxz -0.001127 0.002047 30O 1dyz 0.011007 -0.009713 30O 1dx2y2 0.005623 -0.000953 30O 1dxy 0.002498 -0.006699 30O 2dz2 0.001234 0.015643 30O 2dxz 0.021203 0.008214 30O 2dyz -0.028846 0.044659 30O 2dx2y2 -0.028179 -0.000103 30O 2dxy -0.026798 0.006660 30O 1f0 -0.004202 -0.000198 30O 1f+1 0.001137 -0.000431 30O 1f-1 -0.002566 0.000839 30O 1f+2 -0.003387 0.004771 30O 1f-2 0.002403 0.004655 30O 1f+3 0.001330 -0.001369 30O 1f-3 -0.001479 0.004247 31O 1s 0.102850 -0.029761 31O 2s -0.131793 0.038774 31O 3s 0.193955 -0.059080 31O 4s -0.470472 0.042290 31O 5s 0.706266 0.587426 31O 1pz 0.003945 -0.000133 31O 1px -0.004017 0.013959 31O 1py -0.003923 -0.002831 31O 2pz -0.024837 0.041154 31O 2px 0.052371 -0.087674 31O 2py 0.020892 -0.036205 31O 3pz -0.235745 -0.092495 31O 3px -0.133206 -0.215997 31O 3py 0.354642 0.193738 31O 1dz2 0.000544 0.003723 31O 1dxz -0.001186 -0.002098 31O 1dyz 0.010970 0.009678 31O 1dx2y2 0.005641 0.000978 31O 1dxy 0.002548 0.006766 31O 2dz2 0.001298 -0.015634 31O 2dxz 0.021593 -0.007878 31O 2dyz -0.028568 -0.044400 31O 2dx2y2 -0.028291 -0.000013 31O 2dxy -0.027180 -0.007076 31O 1f0 0.004233 -0.000170 31O 1f+1 -0.001129 -0.000424 31O 1f-1 0.002575 0.000843 31O 1f+2 0.003373 0.004776 31O 1f-2 -0.002457 0.004607 31O 1f+3 -0.001313 -0.001351 31O 1f-3 0.001448 0.004226 32O 1s 0.108438 0.033842 32O 2s -0.138924 -0.043882 32O 3s 0.184335 0.065394 32O 4s -0.349410 -0.094804 32O 5s 0.575687 0.008574 32O 1pz -0.002626 -0.001740 32O 1px 0.006046 0.006158 32O 1py -0.001816 0.004939 32O 2pz 0.019774 -0.006642 32O 2px -0.048296 0.010490 32O 2py 0.011567 -0.034911 32O 3pz -0.055968 -0.006605 32O 3px 0.193920 -0.002521 32O 3py 0.090168 -0.053402 32O 1dz2 0.001416 -0.003143 32O 1dxz 0.003173 -0.005706 32O 1dyz 0.000593 -0.001273 32O 1dx2y2 -0.007095 0.010683 32O 1dxy -0.001951 0.003833 32O 2dz2 0.000826 -0.002034 32O 2dxz -0.004109 0.006508 32O 2dyz 0.000355 0.000964 32O 2dx2y2 0.014054 -0.023149 32O 2dxy 0.000826 -0.001392 32O 1f0 -0.000279 -0.004140 32O 1f+1 0.000943 0.001681 32O 1f-1 0.002391 -0.005129 32O 1f+2 0.000199 0.004282 32O 1f-2 0.001434 -0.002487 32O 1f+3 -0.001581 0.006500 32O 1f-3 0.000429 0.001749 33O 1s 0.097138 -0.037804 33O 2s -0.124521 0.049209 33O 3s 0.186997 -0.074242 33O 4s -0.464825 0.075372 33O 5s 0.602754 0.536038 33O 1pz 0.006558 0.001765 33O 1px -0.005752 0.012888 33O 1py 0.001719 0.006207 33O 2pz -0.045156 0.048132 33O 2px 0.068876 -0.092107 33O 2py -0.000396 -0.005683 33O 3pz -0.319024 -0.158689 33O 3px -0.049221 -0.171456 33O 3py -0.231566 -0.170491 33O 1dz2 -0.006296 -0.002804 33O 1dxz 0.000610 -0.002576 33O 1dyz -0.010658 -0.010740 33O 1dx2y2 0.001898 -0.000646 33O 1dxy -0.000869 -0.005472 33O 2dz2 0.021461 0.013372 33O 2dxz 0.025304 -0.012858 33O 2dyz 0.035963 0.039204 33O 2dx2y2 -0.024399 0.013955 33O 2dxy 0.006798 0.014398 33O 1f0 -0.000440 -0.002745 33O 1f+1 0.001933 -0.001985 33O 1f-1 -0.006037 -0.004040 33O 1f+2 -0.000608 0.005889 33O 1f-2 0.002056 -0.001016 33O 1f+3 -0.001717 0.001810 33O 1f-3 -0.001449 -0.000569 34O 1s 0.095449 0.040550 34O 2s -0.122334 -0.052818 34O 3s 0.182461 0.081778 34O 4s -0.452808 -0.097153 34O 5s 0.640859 -0.577454 34O 1pz 0.001413 -0.007284 34O 1px 0.007069 0.010995 34O 1py -0.003662 0.007241 34O 2pz 0.006501 0.020030 34O 2px -0.069667 -0.115829 34O 2py 0.009072 0.005700 34O 3pz -0.178867 0.162210 34O 3px -0.114933 -0.083668 34O 3py 0.315387 -0.216379 34O 1dz2 0.004043 -0.003476 34O 1dxz -0.003487 -0.000218 34O 1dyz 0.008377 -0.011357 34O 1dx2y2 0.003100 -0.003533 34O 1dxy 0.007593 -0.002926 34O 2dz2 0.000575 0.025582 34O 2dxz 0.016862 0.001365 34O 2dyz -0.031515 0.037750 34O 2dx2y2 -0.035342 -0.009563 34O 2dxy -0.017554 0.022537 34O 1f0 0.001019 -0.002941 34O 1f+1 0.002859 0.002836 34O 1f-1 -0.001422 -0.000812 34O 1f+2 0.002215 -0.001167 34O 1f-2 0.004835 -0.002782 34O 1f+3 -0.001325 0.006013 34O 1f-3 -0.002430 -0.002550 35O 1s 0.102595 0.032047 35O 2s -0.131460 -0.041778 35O 3s 0.193177 0.065260 35O 4s -0.467966 -0.061820 35O 5s 0.704547 -0.602489 35O 1pz 0.002485 -0.008623 35O 1px 0.005116 0.011723 35O 1py 0.003532 -0.000898 35O 2pz 0.002023 0.007255 35O 2px -0.055282 -0.107139 35O 2py -0.019958 -0.035148 35O 3pz -0.355767 0.264035 35O 3px -0.081935 -0.101653 35O 3py -0.239241 0.116275 35O 1dz2 -0.004311 0.006415 35O 1dxz -0.004692 -0.001108 35O 1dyz -0.009967 0.010915 35O 1dx2y2 0.001339 0.000650 35O 1dxy -0.004743 0.002367 35O 2dz2 0.029776 -0.008702 35O 2dxz 0.013105 -0.002479 35O 2dyz 0.035614 -0.039952 35O 2dx2y2 -0.022316 -0.016267 35O 2dxy 0.000027 -0.025801 35O 1f0 0.001170 0.000262 35O 1f+1 -0.001216 0.004341 35O 1f-1 -0.001675 0.004349 35O 1f+2 0.002220 -0.001946 35O 1f-2 -0.004935 0.001872 35O 1f+3 0.000609 0.002473 35O 1f-3 0.003291 0.003615 0 1 2 3 4 5 -824.22524 -824.22523 -117.54808 -117.54802 -108.87878 -108.87874 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s -0.099574 -0.991419 -0.002953 0.333055 0.000000 0.000003 0Rh 2s -0.000594 -0.006045 0.009430 -1.060397 0.000002 -0.000008 0Rh 3s 0.000671 0.006492 0.000629 -0.067625 0.000003 0.000000 0Rh 4s -0.000816 -0.007677 -0.000404 0.037229 -0.000008 -0.000002 0Rh 5s 0.000338 0.002789 0.000171 -0.007527 0.000011 0.000003 0Rh 6s -0.000204 -0.001345 -0.000159 0.003005 -0.000013 -0.000003 0Rh 7s 0.000340 0.001151 0.000481 -0.002317 0.000029 0.000001 0Rh 8s 0.000183 0.000107 0.000336 -0.000248 0.000014 -0.000004 0Rh 1pz 0.000000 -0.000000 0.000001 -0.000077 0.019632 -0.903133 0Rh 1px -0.000001 0.000001 -0.000004 0.000252 0.007296 -0.340994 0Rh 1py -0.000000 0.000000 -0.000001 0.000042 -0.004089 0.215875 0Rh 2pz -0.000001 -0.000000 -0.000002 -0.000003 0.000545 -0.024888 0Rh 2px 0.000004 0.000001 0.000007 0.000009 0.000203 -0.009396 0Rh 2py 0.000001 0.000000 0.000001 0.000001 -0.000113 0.005949 0Rh 3pz 0.000006 0.000003 0.000011 -0.000003 -0.000263 0.010926 0Rh 3px -0.000020 -0.000006 -0.000037 0.000005 -0.000098 0.004122 0Rh 3py -0.000004 -0.000001 -0.000007 0.000001 0.000054 -0.002612 0Rh 4pz -0.000012 -0.000005 -0.000023 0.000007 0.000240 -0.007795 0Rh 4px 0.000042 0.000011 0.000081 -0.000016 0.000088 -0.002936 0Rh 4py 0.000007 0.000001 0.000015 -0.000002 -0.000048 0.001864 0Rh 5pz 0.000009 0.000003 0.000018 -0.000003 -0.000206 0.003595 0Rh 5px -0.000033 -0.000002 -0.000069 -0.000003 -0.000070 0.001350 0Rh 5py -0.000006 0.000002 -0.000013 -0.000005 0.000040 -0.000861 0Rh 6pz 0.000144 0.000070 0.000269 -0.000172 0.000863 -0.001443 0Rh 6px -0.000411 -0.000238 -0.000761 0.000565 0.000254 -0.000531 0Rh 6py -0.000064 -0.000104 -0.000106 0.000218 -0.000161 0.000375 0Rh 1dz2 -0.000000 0.000000 -0.000000 -0.000005 0.000003 -0.000009 0Rh 1dxz -0.000000 0.000000 -0.000000 -0.000006 -0.000005 0.000014 0Rh 1dyz -0.000000 0.000000 -0.000000 -0.000001 -0.000001 0.000004 0Rh 1dx2y2 0.000000 -0.000000 0.000000 0.000009 -0.000002 0.000007 0Rh 1dxy 0.000000 -0.000000 0.000000 0.000004 0.000001 -0.000003 0Rh 2dz2 0.000000 -0.000001 0.000001 0.000003 -0.000011 0.000009 0Rh 2dxz 0.000001 -0.000001 0.000001 0.000003 0.000018 -0.000015 0Rh 2dyz 0.000000 -0.000000 0.000000 0.000001 0.000005 -0.000005 0Rh 2dx2y2 -0.000001 0.000002 -0.000001 -0.000005 0.000008 -0.000007 0Rh 2dxy -0.000000 0.000001 -0.000001 -0.000003 -0.000003 0.000003 0Rh 3dz2 -0.000001 0.000002 -0.000002 -0.000005 0.000027 -0.000012 0Rh 3dxz -0.000002 0.000002 -0.000003 -0.000005 -0.000043 0.000022 0Rh 3dyz -0.000000 0.000001 -0.000000 -0.000002 -0.000012 0.000007 0Rh 3dx2y2 0.000003 -0.000004 0.000004 0.000008 -0.000019 0.000009 0Rh 3dxy 0.000001 -0.000003 0.000002 0.000006 0.000006 -0.000005 0Rh 4dz2 0.000005 -0.000007 0.000008 0.000011 -0.000050 0.000011 0Rh 4dxz 0.000007 -0.000007 0.000012 0.000012 0.000081 -0.000023 0Rh 4dyz 0.000001 -0.000002 0.000002 0.000004 0.000022 -0.000007 0Rh 4dx2y2 -0.000010 0.000012 -0.000017 -0.000020 0.000035 -0.000008 0Rh 4dxy -0.000003 0.000007 -0.000006 -0.000013 -0.000012 0.000007 0Rh 5dz2 -0.000024 0.000031 -0.000049 -0.000053 0.000065 0.000034 0Rh 5dxz -0.000034 0.000038 -0.000068 -0.000063 -0.000110 -0.000043 0Rh 5dyz -0.000005 0.000009 -0.000011 -0.000016 -0.000032 -0.000018 0Rh 5dx2y2 0.000049 -0.000059 0.000100 0.000100 -0.000045 -0.000030 0Rh 5dxy 0.000017 -0.000027 0.000037 0.000047 0.000016 0.000002 0Rh 1f0 -0.000002 0.000000 -0.000004 0.000000 -0.000002 -0.000016 0Rh 1f+1 0.000002 -0.000000 0.000003 0.000000 0.000000 0.000006 0Rh 1f-1 0.000000 -0.000000 0.000001 0.000001 0.000003 0.000025 0Rh 1f+2 0.000002 -0.000001 0.000005 0.000001 -0.000003 -0.000039 0Rh 1f-2 0.000001 -0.000000 0.000002 0.000000 -0.000000 -0.000009 0Rh 1f+3 0.000003 -0.000000 0.000006 0.000000 0.000002 0.000022 0Rh 1f-3 0.000002 -0.000000 0.000004 -0.000000 -0.000000 -0.000005 1Rh 1s 0.991418 -0.099578 0.333055 0.002958 0.000003 0.000000 1Rh 2s 0.006042 -0.000620 -1.060398 -0.009389 -0.000008 0.000002 1Rh 3s -0.006495 0.000634 -0.067626 -0.000572 0.000000 0.000003 1Rh 4s 0.007686 -0.000727 0.037231 0.000257 -0.000002 -0.000008 1Rh 5s -0.002800 0.000223 -0.007529 0.000037 0.000003 0.000011 1Rh 6s 0.001358 -0.000067 0.003008 -0.000106 -0.000003 -0.000013 1Rh 7s -0.001196 -0.000104 -0.002324 0.000440 0.000000 0.000025 1Rh 8s -0.000141 -0.000158 -0.000254 0.000332 -0.000011 0.000015 1Rh 1pz -0.000000 0.000000 0.000076 0.000000 0.914934 0.021908 1Rh 1px 0.000001 -0.000001 -0.000252 -0.000001 0.336076 0.005950 1Rh 1py 0.000000 -0.000000 -0.000042 -0.000000 -0.169020 0.005568 1Rh 2pz -0.000001 -0.000001 0.000003 0.000002 0.025214 0.000600 1Rh 2px 0.000002 0.000004 -0.000009 -0.000007 0.009261 0.000162 1Rh 2py 0.000000 0.000001 -0.000001 -0.000001 -0.004658 0.000154 1Rh 3pz 0.000004 0.000005 0.000003 -0.000011 -0.011070 -0.000240 1Rh 3px -0.000010 -0.000018 -0.000006 0.000037 -0.004062 -0.000062 1Rh 3py -0.000002 -0.000003 -0.000001 0.000007 0.002045 -0.000073 1Rh 4pz -0.000007 -0.000011 -0.000008 0.000023 0.007901 0.000120 1Rh 4px 0.000019 0.000039 0.000017 -0.000080 0.002894 0.000025 1Rh 4py 0.000003 0.000007 0.000002 -0.000014 -0.001459 0.000064 1Rh 5pz 0.000004 0.000008 0.000003 -0.000018 -0.003649 0.000039 1Rh 5px -0.000008 -0.000032 0.000002 0.000069 -0.001331 0.000020 1Rh 5py 0.000001 -0.000006 0.000005 0.000013 0.000674 -0.000052 1Rh 6pz 0.000097 0.000127 0.000175 -0.000265 0.001506 -0.000781 1Rh 6px -0.000316 -0.000356 -0.000579 0.000751 0.000523 -0.000246 1Rh 6py -0.000114 -0.000042 -0.000218 0.000102 -0.000295 0.000202 1Rh 1dz2 -0.000000 0.000000 -0.000005 -0.000000 -0.000009 0.000002 1Rh 1dxz -0.000000 0.000000 -0.000006 -0.000000 0.000015 -0.000004 1Rh 1dyz -0.000000 0.000000 -0.000001 -0.000000 0.000004 -0.000001 1Rh 1dx2y2 0.000000 -0.000000 0.000009 0.000000 0.000006 -0.000002 1Rh 1dxy 0.000000 -0.000000 0.000004 0.000000 -0.000002 0.000001 1Rh 2dz2 0.000001 -0.000001 0.000003 0.000001 0.000009 -0.000011 1Rh 2dxz 0.000001 -0.000001 0.000003 0.000001 -0.000016 0.000017 1Rh 2dyz 0.000000 -0.000000 0.000001 0.000000 -0.000005 0.000005 1Rh 2dx2y2 -0.000001 0.000001 -0.000005 -0.000001 -0.000007 0.000008 1Rh 2dxy -0.000001 0.000001 -0.000003 -0.000001 0.000002 -0.000004 1Rh 3dz2 -0.000002 0.000002 -0.000005 -0.000002 -0.000013 0.000026 1Rh 3dxz -0.000002 0.000003 -0.000005 -0.000003 0.000024 -0.000041 1Rh 3dyz -0.000001 0.000000 -0.000002 -0.000001 0.000007 -0.000012 1Rh 3dx2y2 0.000004 -0.000004 0.000008 0.000005 0.000010 -0.000019 1Rh 3dxy 0.000003 -0.000002 0.000006 0.000002 -0.000004 0.000009 1Rh 4dz2 0.000006 -0.000006 0.000011 0.000009 0.000014 -0.000048 1Rh 4dxz 0.000006 -0.000008 0.000012 0.000012 -0.000026 0.000078 1Rh 4dyz 0.000002 -0.000001 0.000004 0.000002 -0.000008 0.000023 1Rh 4dx2y2 -0.000010 0.000012 -0.000020 -0.000017 -0.000009 0.000035 1Rh 4dxy -0.000006 0.000005 -0.000012 -0.000007 0.000005 -0.000016 1Rh 5dz2 -0.000026 0.000029 -0.000052 -0.000050 0.000031 0.000066 1Rh 5dxz -0.000030 0.000040 -0.000062 -0.000069 -0.000040 -0.000110 1Rh 5dyz -0.000008 0.000007 -0.000016 -0.000011 -0.000016 -0.000035 1Rh 5dx2y2 0.000048 -0.000060 0.000098 0.000102 -0.000027 -0.000048 1Rh 5dxy 0.000023 -0.000022 0.000046 0.000037 0.000000 0.000021 1Rh 1f0 -0.000000 -0.000002 -0.000000 0.000004 0.000015 0.000003 1Rh 1f+1 0.000000 0.000002 -0.000000 -0.000003 -0.000006 -0.000000 1Rh 1f-1 -0.000000 0.000000 -0.000001 -0.000001 -0.000026 -0.000004 1Rh 1f+2 -0.000000 0.000003 -0.000001 -0.000005 0.000038 0.000004 1Rh 1f-2 -0.000000 0.000001 -0.000000 -0.000002 0.000007 0.000000 1Rh 1f+3 0.000000 0.000003 -0.000000 -0.000006 -0.000021 -0.000003 1Rh 1f-3 0.000000 0.000002 0.000000 -0.000004 0.000005 0.000000 2C 1s -0.000000 0.000000 -0.000000 -0.000001 -0.000002 0.000001 2C 2s -0.000000 -0.000001 0.000000 0.000002 0.000007 -0.000004 2C 3s 0.000021 -0.000022 0.000047 0.000042 -0.000019 0.000001 2C 4s -0.000125 0.000147 -0.000286 -0.000281 -0.000006 0.000048 2C 5s 0.000118 -0.000067 0.000268 0.000134 0.000299 -0.000546 2C 1pz 0.000001 -0.000001 0.000002 0.000002 0.000001 -0.000002 2C 1px 0.000000 0.000001 0.000000 -0.000002 0.000003 -0.000005 2C 1py 0.000001 -0.000001 0.000002 0.000002 -0.000005 0.000007 2C 2pz -0.000053 0.000064 -0.000124 -0.000125 -0.000066 0.000068 2C 2px -0.000010 0.000005 -0.000022 -0.000012 -0.000053 0.000035 2C 2py -0.000038 0.000045 -0.000089 -0.000087 -0.000028 -0.000017 2C 3pz 0.000021 -0.000007 0.000047 0.000014 0.000015 -0.000120 2C 3px -0.000031 0.000005 -0.000058 -0.000004 0.000119 0.000067 2C 3py 0.000012 -0.000014 0.000030 0.000028 0.000109 -0.000051 2C 1dz2 -0.000003 0.000001 -0.000005 -0.000002 0.000007 -0.000001 2C 1dxz 0.000001 0.000002 0.000001 -0.000003 -0.000002 -0.000006 2C 1dyz -0.000002 0.000004 -0.000006 -0.000007 -0.000002 -0.000001 2C 1dx2y2 0.000001 0.000000 0.000002 -0.000001 -0.000001 -0.000006 2C 1dxy 0.000000 0.000002 0.000000 -0.000004 -0.000003 -0.000004 2C 2dz2 -0.000009 0.000016 -0.000023 -0.000032 -0.000055 0.000024 2C 2dxz -0.000012 0.000010 -0.000026 -0.000018 0.000004 0.000011 2C 2dyz -0.000018 0.000014 -0.000042 -0.000029 -0.000026 0.000030 2C 2dx2y2 0.000002 -0.000013 0.000008 0.000025 -0.000013 0.000032 2C 2dxy -0.000006 0.000000 -0.000012 -0.000000 -0.000001 0.000030 2C 1f0 -0.000000 0.000002 -0.000001 -0.000003 -0.000007 -0.000001 2C 1f+1 -0.000002 0.000001 -0.000004 -0.000002 0.000003 0.000003 2C 1f-1 -0.000004 0.000005 -0.000009 -0.000010 -0.000000 0.000002 2C 1f+2 0.000002 -0.000003 0.000005 0.000006 -0.000002 0.000003 2C 1f-2 -0.000003 0.000002 -0.000006 -0.000004 0.000001 0.000002 2C 1f+3 -0.000001 -0.000000 -0.000002 0.000000 -0.000002 -0.000002 2C 1f-3 -0.000000 0.000000 -0.000000 -0.000001 0.000002 -0.000005 3C 1s -0.000000 0.000000 -0.000000 -0.000000 -0.000001 0.000001 3C 2s 0.000000 -0.000001 0.000000 0.000001 0.000004 -0.000002 3C 3s 0.000019 -0.000023 0.000044 0.000044 -0.000010 -0.000012 3C 4s -0.000121 0.000151 -0.000279 -0.000290 -0.000029 0.000117 3C 5s 0.000123 -0.000061 0.000276 0.000122 0.000518 -0.000743 3C 1pz 0.000001 -0.000002 0.000002 0.000003 0.000002 -0.000002 3C 1px 0.000000 0.000000 0.000001 -0.000000 -0.000000 -0.000004 3C 1py -0.000001 0.000001 -0.000002 -0.000002 0.000001 -0.000003 3C 2pz -0.000034 0.000047 -0.000079 -0.000090 -0.000039 0.000063 3C 2px -0.000019 0.000020 -0.000044 -0.000040 -0.000045 0.000059 3C 2py 0.000049 -0.000065 0.000118 0.000128 0.000093 -0.000093 3C 3pz 0.000029 -0.000015 0.000062 0.000026 -0.000028 -0.000061 3C 3px -0.000017 -0.000009 -0.000028 0.000023 0.000097 0.000006 3C 3py -0.000016 -0.000001 -0.000036 -0.000001 -0.000133 0.000148 3C 1dz2 0.000000 -0.000001 0.000001 0.000003 0.000005 -0.000002 3C 1dxz -0.000001 0.000001 -0.000001 -0.000001 0.000002 -0.000001 3C 1dyz 0.000003 -0.000003 0.000006 0.000005 -0.000004 0.000001 3C 1dx2y2 0.000002 -0.000001 0.000005 0.000001 -0.000001 -0.000007 3C 1dxy -0.000000 -0.000003 0.000000 0.000006 0.000006 0.000005 3C 2dz2 0.000004 -0.000001 0.000009 0.000003 -0.000009 -0.000002 3C 2dxz -0.000004 0.000011 -0.000010 -0.000021 -0.000025 0.000011 3C 2dyz 0.000011 -0.000013 0.000028 0.000028 0.000079 -0.000076 3C 2dx2y2 0.000011 -0.000022 0.000027 0.000042 0.000005 0.000005 3C 2dxy 0.000017 -0.000009 0.000035 0.000016 0.000001 -0.000037 3C 1f0 0.000002 -0.000003 0.000005 0.000005 -0.000001 -0.000004 3C 1f+1 0.000000 0.000000 0.000000 -0.000001 -0.000001 0.000002 3C 1f-1 -0.000001 -0.000000 -0.000001 0.000000 0.000010 -0.000004 3C 1f+2 0.000002 -0.000005 0.000006 0.000009 0.000002 0.000001 3C 1f-2 0.000003 -0.000003 0.000007 0.000005 -0.000004 -0.000005 3C 1f+3 -0.000003 0.000002 -0.000006 -0.000005 -0.000001 -0.000000 3C 1f-3 0.000001 -0.000002 0.000002 0.000004 -0.000001 0.000004 4C 1s -0.000000 0.000000 -0.000001 -0.000001 -0.000003 0.000002 4C 2s 0.000001 -0.000001 0.000002 0.000003 0.000010 -0.000007 4C 3s -0.000031 0.000035 -0.000072 -0.000070 -0.000258 0.000232 4C 4s 0.000119 -0.000122 0.000276 0.000241 0.001131 -0.001033 4C 5s -0.000057 0.000030 -0.000126 -0.000057 0.000691 -0.000554 4C 1pz 0.000005 -0.000004 0.000011 0.000008 -0.000026 0.000012 4C 1px -0.000003 -0.000005 -0.000005 0.000009 0.000016 0.000026 4C 1py 0.000002 -0.000004 0.000005 0.000007 -0.000002 0.000010 4C 2pz -0.000081 0.000045 -0.000172 -0.000081 0.000339 -0.000085 4C 2px 0.000071 0.000095 0.000118 -0.000198 -0.000359 -0.000440 4C 2py -0.000021 0.000061 -0.000058 -0.000120 0.000015 -0.000163 4C 3pz -0.000012 0.000049 -0.000012 -0.000075 0.000894 -0.000827 4C 3px -0.000023 -0.000026 -0.000040 0.000060 0.000134 -0.000266 4C 3py -0.000022 0.000025 -0.000035 -0.000032 0.000412 -0.000435 4C 1dz2 -0.000002 0.000000 -0.000004 -0.000001 -0.000013 0.000011 4C 1dxz 0.000001 0.000002 0.000002 -0.000004 -0.000015 0.000012 4C 1dyz -0.000001 0.000002 -0.000003 -0.000003 -0.000015 0.000015 4C 1dx2y2 0.000001 -0.000001 0.000002 0.000002 0.000029 -0.000022 4C 1dxy 0.000001 0.000002 0.000002 -0.000003 0.000001 -0.000010 4C 2dz2 -0.000002 -0.000033 0.000006 0.000068 0.000088 0.000087 4C 2dxz 0.000023 0.000022 0.000043 -0.000047 -0.000204 -0.000058 4C 2dyz 0.000028 -0.000036 0.000067 0.000072 0.000134 -0.000137 4C 2dx2y2 0.000006 0.000003 0.000009 -0.000008 0.000066 -0.000130 4C 2dxy 0.000029 0.000007 0.000058 -0.000017 0.000029 -0.000134 4C 1f0 -0.000003 0.000003 -0.000007 -0.000005 -0.000014 0.000005 4C 1f+1 -0.000004 0.000008 -0.000010 -0.000015 -0.000026 0.000022 4C 1f-1 -0.000007 0.000004 -0.000015 -0.000006 0.000017 0.000005 4C 1f+2 0.000004 -0.000009 0.000010 0.000017 0.000041 0.000002 4C 1f-2 0.000002 0.000005 0.000003 -0.000011 -0.000008 -0.000016 4C 1f+3 -0.000002 -0.000002 -0.000002 0.000003 0.000026 0.000021 4C 1f-3 -0.000007 0.000002 -0.000015 -0.000003 0.000002 0.000043 5C 1s -0.000000 0.000001 -0.000001 -0.000001 -0.000003 0.000003 5C 2s 0.000001 -0.000002 0.000002 0.000003 0.000009 -0.000009 5C 3s -0.000028 0.000035 -0.000068 -0.000070 -0.000264 0.000279 5C 4s 0.000106 -0.000124 0.000251 0.000246 0.001183 -0.001269 5C 5s -0.000050 0.000045 -0.000115 -0.000086 0.000605 -0.000560 5C 1pz 0.000004 -0.000002 0.000007 0.000004 -0.000021 0.000006 5C 1px -0.000003 -0.000005 -0.000004 0.000010 0.000014 0.000031 5C 1py -0.000005 0.000005 -0.000010 -0.000009 0.000017 -0.000009 5C 2pz -0.000062 0.000020 -0.000128 -0.000032 0.000269 0.000008 5C 2px 0.000073 0.000100 0.000120 -0.000209 -0.000318 -0.000526 5C 2py 0.000073 -0.000060 0.000159 0.000112 -0.000222 0.000067 5C 3pz -0.000001 0.000040 0.000003 -0.000068 0.000661 -0.000631 5C 3px -0.000036 0.000008 -0.000067 -0.000001 0.000285 -0.000410 5C 3py 0.000004 -0.000053 -0.000001 0.000084 -0.000776 0.000805 5C 1dz2 -0.000001 -0.000001 -0.000001 0.000002 -0.000006 0.000006 5C 1dxz 0.000000 0.000002 0.000000 -0.000004 -0.000014 0.000018 5C 1dyz 0.000002 -0.000001 0.000005 0.000001 0.000004 -0.000007 5C 1dx2y2 0.000001 -0.000000 0.000003 0.000000 0.000029 -0.000031 5C 1dxy -0.000001 -0.000002 -0.000002 0.000005 0.000018 -0.000008 5C 2dz2 -0.000020 0.000005 -0.000043 -0.000008 -0.000062 0.000193 5C 2dxz 0.000017 0.000002 0.000034 -0.000006 -0.000148 -0.000033 5C 2dyz -0.000015 0.000043 -0.000043 -0.000087 -0.000202 0.000107 5C 2dx2y2 0.000013 0.000026 0.000017 -0.000056 -0.000025 -0.000138 5C 2dxy -0.000040 -0.000003 -0.000081 0.000010 0.000058 0.000135 5C 1f0 0.000003 0.000001 0.000005 -0.000002 -0.000033 -0.000003 5C 1f+1 -0.000006 0.000001 -0.000012 -0.000002 -0.000002 0.000039 5C 1f-1 0.000003 0.000001 0.000005 -0.000002 -0.000012 -0.000007 5C 1f+2 0.000004 -0.000004 0.000008 0.000006 0.000008 0.000011 5C 1f-2 0.000001 -0.000010 0.000003 0.000020 0.000040 0.000014 5C 1f+3 -0.000007 0.000006 -0.000015 -0.000012 0.000002 0.000041 5C 1f-3 0.000007 -0.000005 0.000015 0.000008 0.000025 -0.000025 6C 1s -0.000000 0.000000 -0.000001 -0.000001 0.000003 -0.000003 6C 2s 0.000001 -0.000001 0.000003 0.000002 -0.000009 0.000009 6C 3s -0.000029 0.000035 -0.000069 -0.000070 0.000276 -0.000266 6C 4s 0.000100 -0.000130 0.000242 0.000259 -0.001254 0.001189 6C 5s -0.000034 0.000058 -0.000084 -0.000117 -0.000546 0.000622 6C 1pz -0.000001 0.000004 -0.000003 -0.000007 -0.000007 0.000022 6C 1px -0.000005 -0.000001 -0.000010 0.000004 -0.000029 -0.000016 6C 1py 0.000004 -0.000006 0.000008 0.000011 0.000009 -0.000018 6C 2pz 0.000007 -0.000064 0.000030 0.000128 0.000003 -0.000280 6C 2px 0.000112 0.000051 0.000210 -0.000115 0.000493 0.000352 6C 2py -0.000045 0.000082 -0.000109 -0.000160 -0.000066 0.000235 6C 3pz 0.000040 -0.000008 0.000068 -0.000004 0.000637 -0.000654 6C 3px 0.000000 -0.000037 -0.000001 0.000068 0.000400 -0.000278 6C 3py -0.000051 0.000014 -0.000085 0.000001 -0.000784 0.000792 6C 1dz2 0.000001 0.000000 0.000002 -0.000001 0.000005 -0.000007 6C 1dxz -0.000002 0.000000 -0.000004 -0.000000 0.000017 -0.000014 6C 1dyz 0.000000 -0.000002 0.000001 0.000004 -0.000006 0.000004 6C 1dx2y2 -0.000000 -0.000001 0.000000 0.000003 -0.000031 0.000029 6C 1dxy 0.000002 0.000001 0.000005 -0.000001 -0.000008 0.000018 6C 2dz2 -0.000001 0.000021 -0.000007 -0.000043 0.000190 -0.000057 6C 2dxz -0.000005 -0.000016 -0.000006 0.000033 -0.000029 -0.000153 6C 2dyz -0.000039 0.000023 -0.000086 -0.000044 0.000108 -0.000208 6C 2dx2y2 -0.000028 -0.000007 -0.000056 0.000016 -0.000129 -0.000028 6C 2dxy 0.000011 0.000038 0.000011 -0.000080 0.000126 0.000068 6C 1f0 0.000001 0.000003 0.000002 -0.000005 0.000002 0.000035 6C 1f+1 0.000000 -0.000006 0.000002 0.000012 -0.000037 0.000001 6C 1f-1 0.000001 0.000003 0.000002 -0.000005 0.000006 0.000013 6C 1f+2 -0.000003 0.000004 -0.000006 -0.000008 -0.000010 -0.000008 6C 1f-2 -0.000010 0.000003 -0.000020 -0.000004 -0.000012 -0.000042 6C 1f+3 0.000005 -0.000008 0.000012 0.000015 -0.000040 -0.000003 6C 1f-3 -0.000003 0.000008 -0.000008 -0.000015 0.000025 -0.000025 7C 1s -0.000000 0.000000 -0.000001 -0.000001 0.000003 -0.000003 7C 2s 0.000001 -0.000001 0.000003 0.000002 -0.000008 0.000009 7C 3s -0.000028 0.000037 -0.000069 -0.000074 0.000259 -0.000232 7C 4s 0.000097 -0.000142 0.000239 0.000282 -0.001155 0.001013 7C 5s -0.000018 0.000062 -0.000054 -0.000128 -0.000613 0.000623 7C 1pz -0.000003 0.000006 -0.000008 -0.000011 -0.000014 0.000024 7C 1px -0.000005 -0.000002 -0.000009 0.000004 -0.000027 -0.000017 7C 1py -0.000004 0.000003 -0.000007 -0.000005 -0.000011 0.000001 7C 2pz 0.000028 -0.000088 0.000078 0.000173 0.000104 -0.000319 7C 2px 0.000107 0.000050 0.000198 -0.000114 0.000443 0.000364 7C 2py 0.000056 -0.000033 0.000119 0.000060 0.000176 -0.000001 7C 3pz 0.000045 -0.000021 0.000074 0.000013 0.000914 -0.000808 7C 3px -0.000031 -0.000018 -0.000061 0.000040 0.000280 -0.000118 7C 3py 0.000019 -0.000026 0.000030 0.000035 0.000497 -0.000351 7C 1dz2 0.000000 0.000002 -0.000001 -0.000004 0.000013 -0.000012 7C 1dxz -0.000002 -0.000001 -0.000004 0.000002 0.000013 -0.000013 7C 1dyz -0.000001 0.000001 -0.000003 -0.000003 0.000016 -0.000013 7C 1dx2y2 0.000001 -0.000001 0.000002 0.000002 -0.000024 0.000026 7C 1dxy -0.000002 -0.000001 -0.000003 0.000002 -0.000011 0.000000 7C 2dz2 0.000032 -0.000005 0.000068 0.000007 0.000084 0.000087 7C 2dxz -0.000026 -0.000018 -0.000047 0.000041 -0.000049 -0.000198 7C 2dyz 0.000030 -0.000034 0.000071 0.000068 -0.000150 0.000120 7C 2dx2y2 -0.000004 -0.000005 -0.000008 0.000009 -0.000141 0.000052 7C 2dxy -0.000012 -0.000027 -0.000018 0.000058 -0.000146 0.000021 7C 1f0 0.000002 -0.000004 0.000005 0.000008 -0.000007 0.000013 7C 1f+1 0.000007 -0.000006 0.000014 0.000010 -0.000025 0.000023 7C 1f-1 0.000002 -0.000008 0.000006 0.000015 -0.000005 -0.000016 7C 1f+2 -0.000008 0.000006 -0.000017 -0.000010 -0.000000 -0.000039 7C 1f-2 0.000005 0.000001 0.000011 -0.000003 0.000016 0.000008 7C 1f+3 -0.000002 -0.000001 -0.000003 0.000002 -0.000021 -0.000026 7C 1f-3 0.000001 -0.000008 0.000003 0.000015 -0.000045 -0.000004 8C 1s -0.000000 0.000000 -0.000000 -0.000000 0.000001 -0.000001 8C 2s 0.000001 -0.000000 0.000001 0.000000 -0.000002 0.000004 8C 3s 0.000019 -0.000024 0.000043 0.000045 -0.000012 -0.000012 8C 4s -0.000124 0.000148 -0.000285 -0.000284 0.000117 -0.000022 8C 5s 0.000034 -0.000134 0.000116 0.000281 -0.000737 0.000498 8C 1pz -0.000001 0.000001 -0.000003 -0.000002 0.000003 -0.000001 8C 1px 0.000000 0.000000 0.000000 -0.000001 0.000004 0.000001 8C 1py 0.000001 -0.000001 0.000002 0.000002 0.000003 -0.000001 8C 2pz 0.000039 -0.000042 0.000088 0.000081 -0.000066 0.000035 8C 2px 0.000016 -0.000023 0.000039 0.000045 -0.000060 0.000045 8C 2py -0.000054 0.000061 -0.000126 -0.000120 0.000092 -0.000091 8C 3pz -0.000009 0.000032 -0.000025 -0.000062 0.000055 0.000029 8C 3px -0.000012 -0.000015 -0.000022 0.000028 -0.000000 -0.000105 8C 3py -0.000004 -0.000016 0.000001 0.000037 -0.000147 0.000128 8C 1dz2 0.000001 -0.000001 0.000003 0.000001 -0.000002 0.000004 8C 1dxz -0.000001 0.000001 -0.000001 -0.000001 -0.000002 0.000002 8C 1dyz 0.000002 -0.000003 0.000005 0.000006 0.000002 -0.000004 8C 1dx2y2 0.000000 -0.000002 0.000001 0.000005 -0.000007 -0.000002 8C 1dxy 0.000003 -0.000000 0.000006 0.000000 0.000005 0.000006 8C 2dz2 0.000000 -0.000004 0.000003 0.000009 0.000001 -0.000008 8C 2dxz -0.000010 0.000006 -0.000021 -0.000011 0.000012 -0.000023 8C 2dyz 0.000011 -0.000013 0.000027 0.000028 -0.000077 0.000076 8C 2dx2y2 0.000019 -0.000015 0.000041 0.000028 0.000005 0.000007 8C 2dxy 0.000005 -0.000018 0.000016 0.000035 -0.000036 -0.000001 8C 1f0 -0.000002 0.000003 -0.000005 -0.000006 0.000004 0.000001 8C 1f+1 0.000000 0.000000 0.000001 -0.000000 -0.000002 0.000001 8C 1f-1 -0.000000 -0.000000 -0.000000 0.000001 0.000004 -0.000010 8C 1f+2 -0.000004 0.000003 -0.000009 -0.000006 -0.000001 -0.000002 8C 1f-2 -0.000002 0.000004 -0.000005 -0.000007 0.000005 0.000004 8C 1f+3 0.000002 -0.000003 0.000004 0.000006 0.000000 0.000000 8C 1f-3 -0.000002 0.000001 -0.000004 -0.000002 -0.000004 0.000001 9C 1s -0.000000 0.000000 -0.000001 -0.000000 0.000001 -0.000002 9C 2s 0.000001 -0.000000 0.000002 0.000000 -0.000004 0.000006 9C 3s 0.000017 -0.000025 0.000041 0.000048 0.000001 -0.000018 9C 4s -0.000119 0.000152 -0.000276 -0.000291 0.000055 -0.000003 9C 5s 0.000042 -0.000130 0.000129 0.000272 -0.000610 0.000248 9C 1pz -0.000001 0.000001 -0.000002 -0.000002 0.000001 -0.000001 9C 1px 0.000001 -0.000000 0.000002 -0.000000 0.000005 -0.000003 9C 1py -0.000001 0.000001 -0.000002 -0.000002 -0.000007 0.000004 9C 2pz 0.000052 -0.000065 0.000123 0.000126 -0.000074 0.000058 9C 2px 0.000003 -0.000010 0.000011 0.000022 -0.000040 0.000048 9C 2py 0.000036 -0.000046 0.000085 0.000090 0.000010 0.000027 9C 3pz -0.000003 0.000022 -0.000014 -0.000048 0.000130 -0.000002 9C 3px -0.000001 -0.000032 0.000004 0.000059 -0.000061 -0.000114 9C 3py -0.000011 0.000014 -0.000027 -0.000029 0.000060 -0.000108 9C 1dz2 -0.000001 0.000003 -0.000002 -0.000005 -0.000001 0.000007 9C 1dxz -0.000002 -0.000000 -0.000003 0.000001 -0.000006 -0.000002 9C 1dyz -0.000003 0.000003 -0.000007 -0.000006 -0.000001 -0.000002 9C 1dx2y2 -0.000001 -0.000001 -0.000001 0.000002 -0.000006 -0.000001 9C 1dxy -0.000002 0.000000 -0.000004 0.000000 -0.000004 -0.000003 9C 2dz2 -0.000014 0.000012 -0.000031 -0.000024 0.000027 -0.000053 9C 2dxz -0.000007 0.000014 -0.000017 -0.000025 0.000010 0.000002 9C 2dyz -0.000011 0.000021 -0.000028 -0.000043 0.000035 -0.000021 9C 2dx2y2 0.000012 -0.000005 0.000025 0.000008 0.000032 -0.000013 9C 2dxy 0.000001 0.000006 -0.000000 -0.000012 0.000031 0.000002 9C 1f0 0.000001 -0.000001 0.000003 0.000001 0.000000 0.000008 9C 1f+1 0.000001 -0.000002 0.000002 0.000004 -0.000003 -0.000003 9C 1f-1 0.000004 -0.000005 0.000010 0.000009 -0.000002 0.000000 9C 1f+2 -0.000003 0.000003 -0.000006 -0.000005 -0.000003 0.000002 9C 1f-2 0.000001 -0.000003 0.000003 0.000006 -0.000002 -0.000001 9C 1f+3 -0.000000 -0.000001 -0.000000 0.000002 0.000002 0.000003 9C 1f-3 0.000000 -0.000000 0.000001 0.000000 0.000005 -0.000002 10H 1s -0.000001 -0.000000 -0.000002 0.000001 -0.000001 0.000005 10H 2s 0.000003 0.000012 0.000003 -0.000022 0.000035 -0.000053 10H 3s -0.000001 -0.000004 -0.000004 0.000006 -0.000054 0.000009 10H 1pz 0.000002 -0.000001 0.000005 0.000002 0.000004 -0.000007 10H 1px 0.000000 -0.000000 0.000001 0.000000 -0.000004 0.000002 10H 1py 0.000001 -0.000001 0.000002 0.000001 0.000003 -0.000005 11H 1s 0.000003 -0.000002 0.000006 0.000002 -0.000011 0.000007 11H 2s -0.000006 -0.000008 -0.000012 0.000017 0.000026 0.000018 11H 3s -0.000032 0.000026 -0.000069 -0.000046 0.000025 0.000012 11H 1pz -0.000000 -0.000002 0.000000 0.000005 0.000004 0.000002 11H 1px 0.000001 -0.000003 0.000003 0.000006 -0.000002 0.000005 11H 1py -0.000001 0.000001 -0.000002 -0.000001 0.000001 -0.000002 12H 1s 0.000002 -0.000000 0.000005 0.000000 -0.000012 0.000001 12H 2s -0.000013 -0.000006 -0.000025 0.000013 0.000018 -0.000016 12H 3s -0.000023 0.000014 -0.000048 -0.000024 0.000075 0.000075 12H 1pz -0.000001 -0.000001 -0.000001 0.000002 0.000010 -0.000001 12H 1px 0.000000 -0.000003 0.000001 0.000005 -0.000004 0.000002 12H 1py -0.000000 -0.000002 -0.000000 0.000004 0.000002 -0.000008 13H 1s -0.000001 -0.000001 -0.000001 0.000002 -0.000000 0.000003 13H 2s 0.000002 0.000013 0.000003 -0.000024 0.000006 -0.000038 13H 3s -0.000002 -0.000000 -0.000007 -0.000001 -0.000051 0.000063 13H 1pz 0.000001 -0.000000 0.000002 0.000000 0.000001 -0.000002 13H 1px 0.000000 -0.000000 0.000001 0.000000 0.000003 -0.000001 13H 1py -0.000003 0.000001 -0.000005 -0.000001 0.000002 0.000003 14H 1s 0.000002 0.000000 0.000004 -0.000000 -0.000005 0.000001 14H 2s -0.000014 -0.000004 -0.000027 0.000009 0.000026 0.000023 14H 3s -0.000019 0.000009 -0.000039 -0.000016 -0.000031 0.000047 14H 1pz -0.000001 -0.000000 -0.000001 0.000001 0.000001 -0.000001 14H 1px 0.000000 -0.000003 0.000001 0.000005 -0.000002 0.000008 14H 1py 0.000000 0.000002 0.000000 -0.000004 -0.000002 0.000000 15H 1s 0.000003 -0.000002 0.000006 0.000003 -0.000009 0.000004 15H 2s -0.000004 -0.000007 -0.000007 0.000014 -0.000042 0.000037 15H 3s -0.000034 0.000028 -0.000071 -0.000050 0.000045 0.000047 15H 1pz -0.000002 0.000002 -0.000003 -0.000003 0.000014 -0.000008 15H 1px 0.000001 -0.000002 0.000001 0.000003 -0.000001 0.000004 15H 1py -0.000001 0.000003 -0.000002 -0.000005 0.000005 -0.000002 16H 1s -0.000002 -0.000004 -0.000003 0.000009 0.000002 -0.000003 16H 2s 0.000007 0.000059 0.000003 -0.000115 -0.000039 0.000013 16H 3s -0.000000 -0.000014 0.000003 0.000027 0.000030 -0.000006 16H 1pz 0.000002 0.000012 0.000002 -0.000024 -0.000003 -0.000020 16H 1px -0.000002 -0.000005 -0.000003 0.000009 -0.000005 0.000016 16H 1py 0.000000 0.000001 0.000001 -0.000001 -0.000004 0.000001 17H 1s -0.000002 -0.000004 -0.000003 0.000009 -0.000002 0.000005 17H 2s 0.000007 0.000057 0.000003 -0.000111 0.000029 -0.000025 17H 3s -0.000000 -0.000015 0.000002 0.000029 -0.000029 0.000015 17H 1pz -0.000001 -0.000006 -0.000000 0.000012 -0.000004 -0.000003 17H 1px -0.000003 -0.000011 -0.000004 0.000021 0.000006 -0.000030 17H 1py 0.000001 0.000002 0.000001 -0.000004 0.000004 0.000004 18H 1s 0.000005 0.000001 0.000009 -0.000003 0.000005 -0.000002 18H 2s -0.000057 0.000004 -0.000110 0.000002 -0.000018 0.000030 18H 3s 0.000015 -0.000003 0.000029 0.000003 0.000017 -0.000029 18H 1pz -0.000006 0.000001 -0.000012 -0.000000 0.000004 0.000005 18H 1px -0.000011 -0.000001 -0.000021 0.000003 0.000031 -0.000005 18H 1py 0.000002 0.000000 0.000003 -0.000001 -0.000004 -0.000004 19H 1s 0.000005 0.000001 0.000009 -0.000003 -0.000004 0.000001 19H 2s -0.000060 0.000005 -0.000115 0.000001 0.000023 -0.000036 19H 3s 0.000014 -0.000003 0.000027 0.000003 -0.000007 0.000028 19H 1pz 0.000012 -0.000000 0.000024 -0.000002 0.000019 0.000004 19H 1px -0.000005 -0.000001 -0.000010 0.000003 -0.000016 0.000004 19H 1py 0.000001 0.000000 0.000002 -0.000001 -0.000001 0.000005 20H 1s 0.000001 -0.000003 0.000003 0.000006 0.000003 -0.000010 20H 2s 0.000008 0.000003 0.000015 -0.000007 0.000038 -0.000039 20H 3s -0.000021 0.000039 -0.000048 -0.000073 0.000047 0.000049 20H 1pz 0.000002 -0.000002 0.000003 0.000003 0.000008 -0.000014 20H 1px -0.000002 0.000001 -0.000003 -0.000001 -0.000004 0.000002 20H 1py 0.000003 -0.000001 0.000005 0.000002 0.000002 -0.000004 21H 1s -0.000000 -0.000002 -0.000001 0.000004 0.000001 -0.000006 21H 2s 0.000007 0.000013 0.000010 -0.000027 0.000024 0.000029 21H 3s -0.000005 0.000021 -0.000016 -0.000041 0.000045 -0.000025 21H 1pz -0.000001 -0.000001 -0.000001 0.000001 0.000000 -0.000002 21H 1px -0.000003 0.000001 -0.000005 -0.000001 -0.000008 0.000002 21H 1py 0.000002 -0.000000 0.000004 -0.000000 -0.000000 0.000002 22H 1s 0.000001 0.000001 0.000002 -0.000001 0.000002 -0.000000 22H 2s -0.000013 0.000000 -0.000024 0.000002 -0.000036 0.000007 22H 3s 0.000001 0.000002 -0.000001 -0.000007 0.000065 -0.000051 22H 1pz 0.000000 0.000001 -0.000000 -0.000002 0.000002 -0.000002 22H 1px -0.000000 0.000000 -0.000000 -0.000001 0.000001 -0.000003 22H 1py 0.000000 -0.000003 0.000001 0.000005 -0.000002 -0.000002 23H 1s -0.000000 -0.000002 0.000000 0.000005 0.000002 -0.000012 23H 2s 0.000008 0.000011 0.000014 -0.000024 -0.000014 0.000015 23H 3s -0.000009 0.000026 -0.000024 -0.000050 0.000075 0.000079 23H 1pz -0.000001 -0.000000 -0.000002 0.000001 0.000001 -0.000010 23H 1px -0.000002 0.000001 -0.000005 -0.000001 -0.000003 0.000004 23H 1py -0.000002 0.000000 -0.000005 0.000000 0.000008 -0.000002 24H 1s 0.000001 -0.000003 0.000002 0.000006 0.000007 -0.000010 24H 2s 0.000010 0.000005 0.000017 -0.000012 0.000019 0.000030 24H 3s -0.000019 0.000037 -0.000044 -0.000069 0.000015 0.000022 24H 1pz -0.000002 0.000000 -0.000005 -0.000000 -0.000002 -0.000004 24H 1px -0.000003 0.000002 -0.000006 -0.000003 -0.000006 0.000001 24H 1py 0.000000 -0.000001 0.000001 0.000002 0.000002 -0.000001 25H 1s 0.000000 0.000001 0.000001 -0.000002 0.000005 -0.000001 25H 2s -0.000012 -0.000000 -0.000022 0.000002 -0.000057 0.000031 25H 3s 0.000004 0.000000 0.000006 -0.000004 0.000017 -0.000050 25H 1pz -0.000000 0.000003 -0.000002 -0.000005 0.000007 -0.000004 25H 1px -0.000000 0.000000 -0.000000 -0.000001 -0.000002 0.000004 25H 1py -0.000000 0.000001 -0.000001 -0.000002 0.000006 -0.000002 26O 1s 0.000001 -0.000000 0.000001 0.000001 0.000001 -0.000004 26O 2s -0.000003 0.000001 -0.000005 -0.000002 -0.000002 0.000015 26O 3s 0.000021 -0.000012 0.000043 0.000020 0.000017 -0.000098 26O 4s -0.000067 0.000084 -0.000142 -0.000148 -0.000016 0.000149 26O 5s -0.000032 -0.000342 -0.000012 0.000655 -0.000259 0.000985 26O 1pz 0.000002 0.000003 0.000004 -0.000004 -0.000003 -0.000012 26O 1px -0.000003 -0.000003 -0.000005 0.000005 -0.000001 0.000017 26O 1py 0.000000 0.000001 0.000000 -0.000001 0.000004 -0.000027 26O 2pz -0.000004 0.000000 -0.000009 -0.000001 0.000005 -0.000050 26O 2px 0.000031 0.000017 0.000059 -0.000037 0.000016 -0.000226 26O 2py 0.000009 0.000006 0.000016 -0.000014 -0.000021 -0.000031 26O 3pz -0.000001 -0.000162 0.000021 0.000310 -0.000010 0.000377 26O 3px 0.000043 0.000003 0.000083 -0.000014 0.000168 -0.000415 26O 3py 0.000015 -0.000093 0.000043 0.000175 0.000163 -0.000247 26O 1dz2 0.000001 0.000002 0.000002 -0.000004 -0.000001 -0.000018 26O 1dxz -0.000001 0.000001 -0.000003 -0.000002 0.000004 0.000004 26O 1dyz 0.000001 0.000005 0.000001 -0.000009 -0.000003 -0.000048 26O 1dx2y2 0.000000 0.000000 0.000000 -0.000000 0.000005 0.000009 26O 1dxy -0.000001 0.000002 -0.000002 -0.000004 0.000003 -0.000016 26O 2dz2 0.000002 -0.000009 0.000005 0.000015 0.000009 0.000024 26O 2dxz 0.000003 -0.000006 0.000008 0.000010 -0.000004 -0.000003 26O 2dyz -0.000003 -0.000021 -0.000003 0.000037 0.000011 0.000148 26O 2dx2y2 -0.000007 0.000001 -0.000014 -0.000000 -0.000029 0.000016 26O 2dxy -0.000004 -0.000009 -0.000006 0.000017 -0.000009 0.000096 26O 1f0 -0.000000 0.000000 -0.000000 -0.000000 0.000002 -0.000007 26O 1f+1 -0.000000 -0.000002 -0.000001 0.000003 -0.000004 0.000010 26O 1f-1 -0.000001 -0.000002 -0.000001 0.000003 -0.000001 0.000039 26O 1f+2 -0.000000 0.000001 -0.000000 -0.000002 -0.000003 -0.000025 26O 1f-2 0.000000 -0.000002 0.000001 0.000003 -0.000006 0.000011 26O 1f+3 -0.000001 -0.000001 -0.000001 0.000001 -0.000005 0.000006 26O 1f-3 -0.000001 -0.000001 -0.000002 0.000001 -0.000001 0.000014 27O 1s 0.000001 -0.000000 0.000001 0.000000 0.000001 -0.000005 27O 2s -0.000003 0.000001 -0.000005 -0.000002 -0.000002 0.000017 27O 3s 0.000022 -0.000010 0.000044 0.000016 0.000016 -0.000113 27O 4s -0.000071 0.000078 -0.000149 -0.000137 -0.000017 0.000183 27O 5s -0.000040 -0.000318 -0.000032 0.000613 -0.000297 0.001091 27O 1pz 0.000002 0.000002 0.000003 -0.000004 -0.000005 -0.000002 27O 1px -0.000003 -0.000002 -0.000005 0.000004 -0.000001 0.000010 27O 1py -0.000002 -0.000002 -0.000003 0.000004 -0.000001 0.000032 27O 2pz -0.000007 -0.000003 -0.000013 0.000006 0.000016 -0.000032 27O 2px 0.000036 0.000014 0.000068 -0.000032 0.000017 -0.000257 27O 2py -0.000000 -0.000001 0.000000 0.000002 0.000015 0.000016 27O 3pz -0.000010 -0.000089 -0.000007 0.000171 -0.000083 0.000424 27O 3px 0.000043 -0.000011 0.000086 0.000011 0.000216 -0.000534 27O 3py -0.000002 0.000140 -0.000024 -0.000266 -0.000097 -0.000050 27O 1dz2 0.000000 -0.000002 0.000001 0.000004 0.000000 0.000020 27O 1dxz -0.000001 0.000001 -0.000002 -0.000001 0.000002 0.000001 27O 1dyz -0.000001 -0.000005 -0.000002 0.000008 0.000001 0.000046 27O 1dx2y2 -0.000001 -0.000001 -0.000001 0.000002 0.000008 0.000022 27O 1dxy 0.000001 -0.000003 0.000003 0.000005 -0.000002 0.000023 27O 2dz2 0.000005 0.000007 0.000008 -0.000014 0.000006 -0.000096 27O 2dxz 0.000004 -0.000005 0.000009 0.000008 -0.000000 -0.000013 27O 2dyz 0.000004 0.000018 0.000005 -0.000033 -0.000001 -0.000140 27O 2dx2y2 -0.000007 0.000006 -0.000014 -0.000009 -0.000036 0.000003 27O 2dxy 0.000000 0.000012 -0.000002 -0.000022 -0.000003 -0.000101 27O 1f0 0.000001 0.000001 0.000001 -0.000002 0.000002 -0.000029 27O 1f+1 -0.000001 -0.000000 -0.000002 0.000001 -0.000001 0.000004 27O 1f-1 0.000000 -0.000000 0.000001 0.000000 -0.000000 0.000002 27O 1f+2 -0.000000 0.000001 -0.000000 -0.000001 -0.000003 -0.000024 27O 1f-2 -0.000000 0.000002 -0.000001 -0.000003 0.000003 -0.000022 27O 1f+3 -0.000001 -0.000002 -0.000001 0.000004 -0.000006 0.000029 27O 1f-3 0.000001 0.000000 0.000001 -0.000000 -0.000004 -0.000019 28O 1s 0.000000 -0.000001 0.000000 0.000001 0.000005 -0.000000 28O 2s -0.000001 0.000003 -0.000002 -0.000005 -0.000016 0.000001 28O 3s 0.000007 -0.000024 0.000018 0.000044 0.000107 -0.000012 28O 4s -0.000069 0.000083 -0.000145 -0.000147 -0.000171 0.000021 28O 5s 0.000297 -0.000023 0.000569 -0.000021 -0.001007 0.000234 28O 1pz -0.000001 -0.000000 -0.000002 0.000000 0.000004 0.000004 28O 1px -0.000003 -0.000003 -0.000005 0.000006 0.000010 0.000002 28O 1py -0.000002 -0.000001 -0.000003 0.000003 0.000032 -0.000001 28O 2pz -0.000007 -0.000014 -0.000010 0.000029 0.000178 -0.000014 28O 2px 0.000014 0.000029 0.000020 -0.000061 -0.000158 0.000002 28O 2py 0.000001 0.000003 0.000001 -0.000006 -0.000035 0.000019 28O 3pz 0.000121 -0.000044 0.000239 0.000059 -0.000044 -0.000106 28O 3px 0.000062 0.000023 0.000115 -0.000059 -0.000648 0.000159 28O 3py 0.000104 -0.000021 0.000203 0.000018 0.000042 -0.000097 28O 1dz2 -0.000002 0.000001 -0.000004 -0.000002 0.000013 -0.000003 28O 1dxz -0.000000 -0.000001 0.000000 0.000003 0.000005 0.000005 28O 1dyz -0.000005 0.000000 -0.000009 0.000000 0.000053 0.000006 28O 1dx2y2 0.000000 -0.000000 -0.000000 0.000001 -0.000003 -0.000004 28O 1dxy -0.000002 -0.000001 -0.000003 0.000002 0.000013 0.000003 28O 2dz2 0.000010 -0.000004 0.000018 0.000005 -0.000048 0.000006 28O 2dxz 0.000000 -0.000005 0.000001 0.000010 0.000046 -0.000022 28O 2dyz 0.000021 -0.000002 0.000037 -0.000001 -0.000166 -0.000022 28O 2dx2y2 -0.000001 0.000007 -0.000003 -0.000015 -0.000034 0.000020 28O 2dxy 0.000005 0.000003 0.000009 -0.000006 -0.000029 -0.000000 28O 1f0 0.000001 0.000000 0.000002 -0.000001 -0.000003 0.000005 28O 1f+1 0.000000 0.000000 0.000000 -0.000001 -0.000004 -0.000002 28O 1f-1 0.000002 -0.000001 0.000004 0.000001 -0.000036 0.000001 28O 1f+2 -0.000002 -0.000001 -0.000003 0.000002 0.000036 -0.000001 28O 1f-2 -0.000000 0.000001 -0.000000 -0.000001 -0.000014 -0.000004 28O 1f+3 -0.000000 -0.000000 -0.000001 0.000001 -0.000003 -0.000004 28O 1f-3 0.000000 -0.000000 0.000001 0.000001 -0.000009 -0.000001 29O 1s 0.000001 -0.000001 0.000002 0.000001 0.000000 0.000000 29O 2s -0.000004 0.000002 -0.000006 -0.000003 -0.000000 -0.000000 29O 3s 0.000021 -0.000011 0.000042 0.000015 0.000002 0.000001 29O 4s -0.000059 0.000048 -0.000121 -0.000076 -0.000007 -0.000005 29O 5s 0.000103 -0.000148 0.000227 0.000259 0.000025 0.000004 29O 1pz 0.000001 -0.000001 0.000003 0.000001 -0.000002 0.000010 29O 1px -0.000004 0.000001 -0.000007 0.000000 -0.000001 0.000003 29O 1py -0.000000 -0.000002 -0.000000 0.000004 0.000001 -0.000002 29O 2pz -0.000004 0.000008 -0.000008 -0.000015 0.000005 -0.000060 29O 2px 0.000011 -0.000018 0.000024 0.000031 0.000005 -0.000020 29O 2py 0.000004 0.000014 0.000004 -0.000028 -0.000004 0.000011 29O 3pz 0.000013 -0.000014 0.000029 0.000023 -0.000081 0.000185 29O 3px -0.000039 0.000055 -0.000086 -0.000096 -0.000037 0.000066 29O 3py -0.000003 0.000039 -0.000013 -0.000074 0.000011 -0.000045 29O 1dz2 -0.000001 -0.000001 -0.000001 0.000002 0.000000 -0.000001 29O 1dxz -0.000001 -0.000002 -0.000002 0.000004 -0.000001 0.000003 29O 1dyz -0.000000 -0.000000 -0.000000 0.000001 -0.000002 0.000004 29O 1dx2y2 0.000002 0.000004 0.000002 -0.000008 -0.000000 0.000001 29O 1dxy 0.000001 0.000001 0.000001 -0.000002 -0.000000 0.000000 29O 2dz2 0.000001 -0.000002 0.000003 0.000003 0.000002 0.000009 29O 2dxz 0.000003 0.000002 0.000004 -0.000004 0.000003 -0.000016 29O 2dyz 0.000001 0.000000 0.000001 -0.000001 0.000008 0.000001 29O 2dx2y2 -0.000004 -0.000009 -0.000006 0.000019 0.000000 -0.000006 29O 2dxy -0.000002 0.000001 -0.000003 -0.000001 0.000001 0.000006 29O 1f0 0.000001 0.000001 0.000001 -0.000003 -0.000001 0.000001 29O 1f+1 -0.000000 -0.000000 -0.000001 0.000001 0.000000 -0.000003 29O 1f-1 0.000000 0.000002 -0.000000 -0.000004 -0.000001 0.000000 29O 1f+2 -0.000001 -0.000001 -0.000001 0.000002 -0.000001 0.000005 29O 1f-2 -0.000000 0.000001 -0.000000 -0.000002 0.000002 -0.000001 29O 1f+3 -0.000001 -0.000002 -0.000002 0.000004 0.000000 -0.000002 29O 1f-3 -0.000000 -0.000000 -0.000001 0.000001 -0.000001 0.000002 30O 1s 0.000000 -0.000001 0.000001 0.000001 0.000004 -0.000000 30O 2s -0.000001 0.000003 -0.000002 -0.000005 -0.000016 0.000001 30O 3s 0.000008 -0.000023 0.000020 0.000042 0.000105 -0.000014 30O 4s -0.000072 0.000078 -0.000151 -0.000138 -0.000155 0.000017 30O 5s 0.000335 -0.000039 0.000643 0.000004 -0.001023 0.000274 30O 1pz -0.000000 0.000000 -0.000000 -0.000000 -0.000008 0.000004 30O 1px -0.000004 -0.000003 -0.000006 0.000006 0.000018 0.000002 30O 1py 0.000001 0.000001 0.000001 -0.000002 -0.000028 0.000001 30O 2pz -0.000009 -0.000009 -0.000016 0.000020 0.000161 -0.000018 30O 2px 0.000017 0.000025 0.000027 -0.000054 -0.000155 0.000008 30O 2py 0.000009 0.000007 0.000017 -0.000014 -0.000076 -0.000013 30O 3pz 0.000081 -0.000039 0.000162 0.000058 -0.000079 -0.000061 30O 3px 0.000095 0.000012 0.000180 -0.000043 -0.000623 0.000140 30O 3py -0.000138 0.000047 -0.000273 -0.000062 -0.000154 0.000178 30O 1dz2 0.000001 0.000001 0.000002 -0.000001 -0.000025 -0.000005 30O 1dxz -0.000001 -0.000001 -0.000001 0.000001 0.000009 0.000004 30O 1dyz 0.000005 -0.000001 0.000009 0.000001 -0.000042 0.000001 30O 1dx2y2 0.000001 -0.000001 0.000002 0.000002 -0.000018 -0.000002 30O 1dxy 0.000002 0.000001 0.000003 -0.000003 -0.000022 -0.000006 30O 2dz2 -0.000004 -0.000003 -0.000007 0.000008 0.000086 0.000011 30O 2dxz 0.000001 -0.000005 0.000003 0.000009 0.000014 -0.000020 30O 2dyz -0.000021 -0.000000 -0.000038 0.000004 0.000162 -0.000003 30O 2dx2y2 -0.000007 0.000007 -0.000013 -0.000013 0.000036 0.000021 30O 2dxy -0.000007 0.000002 -0.000012 -0.000003 0.000017 0.000020 30O 1f0 -0.000001 0.000001 -0.000001 -0.000001 0.000018 0.000002 30O 1f+1 0.000000 -0.000000 0.000001 0.000000 0.000006 0.000000 30O 1f-1 -0.000001 0.000000 -0.000001 -0.000001 -0.000001 -0.000004 30O 1f+2 -0.000002 0.000000 -0.000004 0.000000 0.000031 -0.000005 30O 1f-2 -0.000001 -0.000001 -0.000002 0.000002 0.000024 0.000000 30O 1f+3 0.000001 -0.000000 0.000001 0.000000 -0.000025 -0.000006 30O 1f-3 -0.000002 -0.000000 -0.000003 0.000001 0.000020 -0.000004 31O 1s 0.000001 -0.000001 0.000001 0.000001 -0.000001 0.000005 31O 2s -0.000003 0.000001 -0.000005 -0.000002 0.000002 -0.000016 31O 3s 0.000021 -0.000013 0.000042 0.000021 -0.000017 0.000109 31O 4s -0.000062 0.000087 -0.000135 -0.000155 0.000020 -0.000162 31O 5s -0.000028 -0.000334 -0.000007 0.000641 0.000294 -0.001061 31O 1pz -0.000000 -0.000000 0.000000 0.000000 -0.000004 0.000007 31O 1px -0.000003 -0.000003 -0.000006 0.000006 -0.000001 -0.000019 31O 1py 0.000001 0.000001 0.000002 -0.000001 -0.000002 0.000028 31O 2pz -0.000011 -0.000007 -0.000020 0.000015 0.000025 -0.000162 31O 2px 0.000028 0.000011 0.000054 -0.000026 -0.000013 0.000163 31O 2py 0.000008 0.000008 0.000014 -0.000016 0.000012 0.000083 31O 3pz -0.000022 0.000088 -0.000056 -0.000164 0.000045 0.000063 31O 3px 0.000030 0.000090 0.000046 -0.000178 -0.000153 0.000644 31O 3py 0.000018 -0.000146 0.000057 0.000276 -0.000182 0.000141 31O 1dz2 -0.000001 -0.000001 -0.000001 0.000002 -0.000004 -0.000026 31O 1dxz 0.000001 0.000000 0.000001 -0.000001 0.000003 0.000009 31O 1dyz -0.000000 -0.000005 0.000001 0.000009 0.000003 -0.000044 31O 1dx2y2 0.000001 -0.000002 0.000002 0.000002 -0.000002 -0.000019 31O 1dxy -0.000002 -0.000002 -0.000003 0.000003 -0.000005 -0.000023 31O 2dz2 0.000004 0.000004 0.000008 -0.000007 0.000008 0.000088 31O 2dxz 0.000004 -0.000002 0.000009 0.000003 -0.000020 0.000015 31O 2dyz 0.000004 0.000021 0.000005 -0.000038 -0.000009 0.000170 31O 2dx2y2 -0.000006 0.000008 -0.000013 -0.000013 0.000019 0.000038 31O 2dxy -0.000001 0.000007 -0.000003 -0.000012 0.000019 0.000020 31O 1f0 0.000001 -0.000001 0.000001 0.000001 -0.000001 -0.000019 31O 1f+1 -0.000000 0.000000 -0.000000 -0.000001 -0.000000 -0.000006 31O 1f-1 0.000000 -0.000001 0.000001 0.000001 0.000003 0.000001 31O 1f+2 -0.000000 -0.000002 -0.000000 0.000004 0.000005 -0.000032 31O 1f-2 -0.000001 -0.000001 -0.000002 0.000002 0.000000 -0.000025 31O 1f+3 -0.000000 0.000001 -0.000000 -0.000001 0.000005 0.000026 31O 1f-3 -0.000000 -0.000002 -0.000001 0.000003 0.000005 -0.000021 32O 1s 0.000000 -0.000001 0.000001 0.000002 -0.000000 0.000000 32O 2s -0.000001 0.000004 -0.000002 -0.000006 0.000000 -0.000000 32O 3s 0.000007 -0.000023 0.000014 0.000042 0.000001 0.000002 32O 4s -0.000035 0.000067 -0.000074 -0.000122 -0.000002 -0.000005 32O 5s 0.000125 -0.000130 0.000255 0.000231 -0.000014 0.000019 32O 1pz -0.000000 0.000001 -0.000000 -0.000003 -0.000010 0.000002 32O 1px -0.000000 -0.000004 -0.000000 0.000007 -0.000003 0.000001 32O 1py -0.000002 -0.000000 -0.000004 0.000000 0.000002 -0.000001 32O 2pz 0.000007 -0.000005 0.000014 0.000009 0.000061 -0.000002 32O 2px -0.000016 0.000014 -0.000031 -0.000024 0.000021 -0.000003 32O 2py 0.000015 0.000001 0.000028 -0.000004 -0.000010 0.000005 32O 3pz -0.000011 0.000016 -0.000023 -0.000029 -0.000191 0.000071 32O 3px 0.000046 -0.000049 0.000095 0.000087 -0.000067 0.000033 32O 3py 0.000037 -0.000011 0.000074 0.000014 0.000031 -0.000016 32O 1dz2 0.000001 0.000001 0.000002 -0.000001 -0.000001 0.000000 32O 1dxz 0.000002 0.000001 0.000004 -0.000002 0.000003 -0.000001 32O 1dyz 0.000000 0.000000 0.000001 -0.000000 0.000004 -0.000002 32O 1dx2y2 -0.000004 -0.000001 -0.000008 0.000002 0.000001 -0.000000 32O 1dxy -0.000001 -0.000001 -0.000002 0.000001 0.000000 -0.000000 32O 2dz2 0.000002 -0.000002 0.000003 0.000003 0.000008 0.000003 32O 2dxz -0.000002 -0.000002 -0.000004 0.000004 -0.000017 0.000002 32O 2dyz -0.000000 -0.000001 -0.000000 0.000001 0.000001 0.000008 32O 2dx2y2 0.000010 0.000003 0.000019 -0.000006 -0.000005 -0.000000 32O 2dxy -0.000000 0.000002 -0.000001 -0.000003 0.000006 0.000001 32O 1f0 0.000001 0.000000 0.000003 -0.000001 -0.000002 0.000001 32O 1f+1 -0.000000 -0.000000 -0.000001 0.000001 0.000003 -0.000000 32O 1f-1 0.000002 -0.000000 0.000005 0.000000 -0.000001 0.000001 32O 1f+2 -0.000001 -0.000001 -0.000002 0.000001 -0.000005 0.000001 32O 1f-2 0.000001 -0.000000 0.000002 0.000000 0.000001 -0.000002 32O 1f+3 -0.000002 -0.000001 -0.000004 0.000002 0.000002 -0.000000 32O 1f-3 -0.000001 -0.000000 -0.000001 0.000001 -0.000001 0.000001 33O 1s 0.000001 -0.000000 0.000001 0.000001 -0.000001 0.000004 33O 2s -0.000003 0.000001 -0.000005 -0.000002 0.000002 -0.000015 33O 3s 0.000022 -0.000012 0.000043 0.000019 -0.000018 0.000101 33O 4s -0.000068 0.000084 -0.000144 -0.000148 0.000031 -0.000161 33O 5s -0.000037 -0.000295 -0.000032 0.000567 0.000303 -0.000941 33O 1pz -0.000000 -0.000001 -0.000000 0.000002 -0.000004 -0.000003 33O 1px -0.000003 -0.000002 -0.000006 0.000005 -0.000002 -0.000009 33O 1py -0.000002 -0.000002 -0.000003 0.000003 0.000002 -0.000032 33O 2pz -0.000015 -0.000004 -0.000029 0.000010 0.000023 -0.000171 33O 2px 0.000032 0.000007 0.000062 -0.000019 -0.000012 0.000147 33O 2py 0.000003 0.000000 0.000006 -0.000001 -0.000019 0.000038 33O 3pz -0.000019 0.000128 -0.000055 -0.000241 0.000116 0.000063 33O 3px 0.000035 0.000056 0.000061 -0.000114 -0.000197 0.000614 33O 3py 0.000001 0.000106 -0.000014 -0.000204 0.000095 -0.000056 33O 1dz2 -0.000001 0.000002 -0.000002 -0.000004 -0.000004 0.000011 33O 1dxz 0.000001 0.000000 0.000003 0.000000 0.000005 0.000005 33O 1dyz 0.000001 0.000005 0.000000 -0.000009 0.000004 0.000051 33O 1dx2y2 0.000000 -0.000000 0.000001 -0.000000 -0.000004 -0.000004 33O 1dxy 0.000001 0.000001 0.000002 -0.000003 0.000002 0.000012 33O 2dz2 0.000002 -0.000010 0.000005 0.000018 0.000008 -0.000043 33O 2dxz 0.000005 -0.000002 0.000010 0.000002 -0.000026 0.000042 33O 2dyz -0.000003 -0.000020 -0.000002 0.000037 -0.000014 -0.000160 33O 2dx2y2 -0.000007 0.000003 -0.000015 -0.000003 0.000023 -0.000031 33O 2dxy -0.000004 -0.000005 -0.000006 0.000009 0.000001 -0.000026 33O 1f0 0.000000 0.000001 0.000001 -0.000002 -0.000005 0.000002 33O 1f+1 0.000001 0.000000 0.000001 -0.000000 0.000002 0.000003 33O 1f-1 -0.000000 0.000002 -0.000001 -0.000004 -0.000003 0.000034 33O 1f+2 -0.000001 -0.000002 -0.000002 0.000003 0.000003 -0.000034 33O 1f-2 0.000001 -0.000000 0.000001 0.000000 0.000004 0.000014 33O 1f+3 -0.000001 -0.000000 -0.000001 0.000001 0.000004 0.000003 33O 1f-3 -0.000000 0.000001 -0.000001 -0.000001 0.000001 0.000009 34O 1s 0.000000 -0.000001 0.000000 0.000001 -0.000005 0.000000 34O 2s -0.000000 0.000003 -0.000002 -0.000005 0.000016 -0.000001 34O 3s 0.000006 -0.000024 0.000016 0.000045 -0.000109 0.000013 34O 4s -0.000063 0.000085 -0.000135 -0.000152 0.000176 -0.000011 34O 5s 0.000320 -0.000024 0.000614 -0.000022 0.001051 -0.000273 34O 1pz 0.000002 0.000001 0.000004 -0.000003 0.000001 0.000004 34O 1px -0.000002 -0.000002 -0.000004 0.000005 -0.000010 0.000000 34O 1py -0.000003 -0.000001 -0.000004 0.000003 -0.000032 -0.000000 34O 2pz -0.000004 -0.000006 -0.000006 0.000013 0.000036 -0.000013 34O 2px 0.000021 0.000032 0.000033 -0.000067 0.000247 -0.000008 34O 2py -0.000001 -0.000000 -0.000002 0.000000 -0.000011 -0.000014 34O 3pz -0.000089 0.000008 -0.000171 0.000004 -0.000429 0.000062 34O 3px -0.000002 0.000045 -0.000011 -0.000086 0.000514 -0.000208 34O 3py 0.000137 -0.000030 0.000266 0.000028 0.000030 0.000095 34O 1dz2 0.000002 -0.000001 0.000004 0.000001 0.000019 0.000001 34O 1dxz -0.000001 0.000001 -0.000001 -0.000002 0.000001 0.000002 34O 1dyz 0.000005 0.000000 0.000008 -0.000002 0.000044 0.000003 34O 1dx2y2 0.000001 0.000001 0.000002 -0.000001 0.000021 0.000009 34O 1dxy 0.000003 -0.000002 0.000005 0.000003 0.000023 -0.000001 34O 2dz2 -0.000008 -0.000003 -0.000015 0.000008 -0.000093 0.000003 34O 2dxz 0.000004 -0.000005 0.000008 0.000009 -0.000014 -0.000000 34O 2dyz -0.000019 -0.000000 -0.000033 0.000004 -0.000133 -0.000007 34O 2dx2y2 -0.000005 0.000008 -0.000009 -0.000014 0.000003 -0.000037 34O 2dxy -0.000012 0.000002 -0.000022 -0.000002 -0.000098 -0.000007 34O 1f0 0.000001 0.000000 0.000002 -0.000001 0.000028 -0.000001 34O 1f+1 -0.000000 -0.000001 -0.000001 0.000001 -0.000004 0.000001 34O 1f-1 -0.000000 0.000000 -0.000000 -0.000001 -0.000003 -0.000000 34O 1f+2 0.000001 -0.000000 0.000001 0.000000 0.000022 0.000004 34O 1f-2 0.000002 -0.000001 0.000003 0.000001 0.000021 -0.000002 34O 1f+3 -0.000002 -0.000000 -0.000004 0.000001 -0.000028 0.000006 34O 1f-3 0.000000 0.000001 0.000000 -0.000001 0.000018 0.000005 35O 1s 0.000000 -0.000001 0.000001 0.000001 -0.000004 0.000000 35O 2s -0.000001 0.000003 -0.000002 -0.000005 0.000016 -0.000001 35O 3s 0.000008 -0.000023 0.000019 0.000043 -0.000105 0.000010 35O 4s -0.000069 0.000082 -0.000146 -0.000145 0.000159 -0.000006 35O 5s 0.000340 -0.000036 0.000653 -0.000001 0.001050 -0.000190 35O 1pz 0.000003 0.000002 0.000005 -0.000004 0.000014 0.000004 35O 1px -0.000003 -0.000002 -0.000006 0.000005 -0.000017 0.000000 35O 1py 0.000001 0.000000 0.000001 -0.000000 0.000027 -0.000003 35O 2pz -0.000000 -0.000004 0.000000 0.000009 0.000049 -0.000004 35O 2px 0.000023 0.000027 0.000038 -0.000058 0.000236 -0.000004 35O 2py 0.000008 0.000008 0.000014 -0.000016 0.000037 0.000025 35O 3pz -0.000159 0.000031 -0.000309 -0.000026 -0.000382 -0.000004 35O 3px 0.000011 0.000041 0.000015 -0.000082 0.000457 -0.000130 35O 3py -0.000089 0.000033 -0.000175 -0.000046 0.000249 -0.000153 35O 1dz2 -0.000002 -0.000001 -0.000004 0.000002 -0.000019 -0.000002 35O 1dxz -0.000001 0.000002 -0.000002 -0.000003 0.000004 0.000004 35O 1dyz -0.000005 0.000000 -0.000009 0.000001 -0.000050 -0.000005 35O 1dx2y2 -0.000000 -0.000000 -0.000000 0.000000 0.000008 0.000005 35O 1dxy -0.000002 0.000001 -0.000004 -0.000002 -0.000016 0.000002 35O 2dz2 0.000009 -0.000004 0.000015 0.000005 0.000026 0.000009 35O 2dxz 0.000005 -0.000004 0.000010 0.000008 -0.000002 -0.000004 35O 2dyz 0.000021 -0.000001 0.000037 -0.000002 0.000155 0.000018 35O 2dx2y2 0.000000 0.000007 0.000000 -0.000014 0.000020 -0.000027 35O 2dxy 0.000009 0.000002 0.000017 -0.000006 0.000101 -0.000003 35O 1f0 0.000000 -0.000000 0.000000 0.000000 0.000007 -0.000002 35O 1f+1 -0.000002 -0.000000 -0.000003 0.000001 -0.000011 0.000004 35O 1f-1 -0.000002 -0.000000 -0.000003 0.000001 -0.000041 -0.000001 35O 1f+2 0.000001 -0.000000 0.000002 0.000000 0.000026 0.000004 35O 1f-2 -0.000001 0.000001 -0.000003 -0.000001 -0.000012 0.000005 35O 1f+3 -0.000001 -0.000000 -0.000001 0.000001 -0.000007 0.000004 35O 1f-3 -0.000001 -0.000001 -0.000001 0.000002 -0.000014 0.000000 6 7 8 9 10 11 -108.87874 -108.87870 -108.87793 -108.87785 -21.10123 -21.10119 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s -0.000000 0.000003 0.000005 -0.000085 -0.041388 0.135276 0Rh 2s -0.000001 -0.000012 0.000061 0.000321 0.161191 -0.527423 0Rh 3s -0.000002 -0.000003 0.000078 0.000068 -0.096688 0.315598 0Rh 4s 0.000005 0.000006 -0.000200 -0.000136 -0.207129 0.678870 0Rh 5s -0.000006 -0.000009 0.000266 0.000211 -0.043270 0.138450 0Rh 6s 0.000006 0.000013 -0.000258 -0.000367 0.010615 -0.030471 0Rh 7s 0.000084 -0.000031 -0.001114 0.002070 -0.011426 0.021860 0Rh 8s -0.000016 0.000048 0.000003 -0.001132 -0.004131 0.001417 0Rh 1pz 0.014477 0.268745 -0.006369 -0.300942 0.000030 -0.000111 0Rh 1px 0.000720 -0.114021 0.019565 0.921612 -0.000090 0.000335 0Rh 1py 0.017938 0.945203 0.004358 0.196741 -0.000012 0.000047 0Rh 2pz 0.000400 0.007407 -0.000178 -0.008290 -0.000059 0.000253 0Rh 2px 0.000019 -0.003144 0.000546 0.025384 0.000173 -0.000772 0Rh 2py 0.000499 0.026047 0.000121 0.005418 0.000022 -0.000109 0Rh 3pz -0.000183 -0.003255 0.000086 0.003641 -0.000112 0.000041 0Rh 3px -0.000002 0.001387 -0.000262 -0.011133 0.000374 -0.000086 0Rh 3py -0.000243 -0.011432 -0.000055 -0.002369 0.000066 -0.000008 0Rh 4pz 0.000145 0.002328 -0.000054 -0.002614 0.000231 -0.000042 0Rh 4px -0.000010 -0.001004 0.000159 0.007967 -0.000781 0.000038 0Rh 4py 0.000227 0.008154 0.000030 0.001682 -0.000136 -0.000008 0Rh 5pz -0.000091 -0.001085 -0.000053 0.001275 -0.000165 0.000005 0Rh 5px 0.000018 0.000487 0.000178 -0.003849 0.000607 0.000140 0Rh 5py -0.000204 -0.003759 0.000037 -0.000786 0.000096 0.000077 0Rh 6pz 0.000276 0.000533 0.000253 -0.001075 -0.003188 0.000873 0Rh 6px -0.000223 -0.000396 -0.000726 0.002913 0.009246 -0.003222 0Rh 6py 0.000870 0.001512 -0.000069 0.000248 0.001681 -0.001831 0Rh 1dz2 0.000001 0.000002 -0.000003 0.000006 -0.000027 0.000093 0Rh 1dxz -0.000001 -0.000005 -0.000003 0.000008 -0.000033 0.000115 0Rh 1dyz 0.000001 0.000004 -0.000000 0.000002 -0.000007 0.000023 0Rh 1dx2y2 0.000001 0.000005 0.000005 -0.000012 0.000051 -0.000176 0Rh 1dxy -0.000005 -0.000016 0.000001 -0.000005 0.000021 -0.000074 0Rh 2dz2 -0.000004 -0.000003 0.000012 -0.000003 -0.000024 0.000051 0Rh 2dxz 0.000005 0.000005 0.000016 -0.000003 -0.000032 0.000066 0Rh 2dyz -0.000006 -0.000003 0.000002 -0.000001 -0.000005 0.000010 0Rh 2dx2y2 -0.000005 -0.000004 -0.000024 0.000005 0.000045 -0.000097 0Rh 2dxy 0.000020 0.000017 -0.000007 0.000004 0.000016 -0.000034 0Rh 3dz2 0.000009 0.000004 -0.000034 -0.000000 0.000007 0.000067 0Rh 3dxz -0.000011 -0.000006 -0.000046 -0.000002 0.000017 0.000074 0Rh 3dyz 0.000015 0.000004 -0.000007 0.000001 -0.000001 0.000022 0Rh 3dx2y2 0.000011 0.000006 0.000070 0.000002 -0.000016 -0.000123 0Rh 3dxy -0.000049 -0.000024 0.000022 -0.000003 0.000000 -0.000069 0Rh 4dz2 -0.000018 -0.000005 0.000096 0.000013 -0.000054 -0.000147 0Rh 4dxz 0.000018 0.000004 0.000130 0.000020 -0.000088 -0.000169 0Rh 4dyz -0.000028 -0.000001 0.000020 0.000002 -0.000008 -0.000049 0Rh 4dx2y2 -0.000018 -0.000003 -0.000197 -0.000028 0.000115 0.000274 0Rh 4dxy 0.000092 0.000024 -0.000065 -0.000005 0.000031 0.000148 0Rh 5dz2 0.000031 -0.000006 -0.000244 -0.000083 0.000333 0.000695 0Rh 5dxz -0.000017 0.000030 -0.000332 -0.000115 0.000495 0.000860 0Rh 5dyz 0.000044 -0.000028 -0.000054 -0.000020 0.000066 0.000193 0Rh 5dx2y2 0.000015 -0.000030 0.000500 0.000169 -0.000707 -0.001339 0Rh 5dxy -0.000124 0.000055 0.000168 0.000060 -0.000230 -0.000586 0Rh 1f0 0.000003 -0.000022 -0.000019 -0.000009 0.000036 0.000008 0Rh 1f+1 -0.000000 -0.000006 0.000016 0.000006 -0.000028 -0.000011 0Rh 1f-1 0.000003 -0.000038 0.000003 -0.000002 -0.000004 -0.000010 0Rh 1f+2 0.000001 -0.000003 0.000025 0.000009 -0.000045 -0.000019 0Rh 1f-2 0.000002 -0.000028 0.000010 0.000002 -0.000017 -0.000010 0Rh 1f+3 -0.000001 0.000011 0.000030 0.000012 -0.000053 -0.000018 0Rh 1f-3 -0.000000 -0.000009 0.000018 0.000007 -0.000033 -0.000009 1Rh 1s -0.000003 0.000000 0.000084 -0.000009 0.135283 0.041364 1Rh 2s 0.000013 0.000001 -0.000323 -0.000048 -0.527351 -0.161421 1Rh 3s 0.000003 0.000001 -0.000071 -0.000076 0.315690 0.096397 1Rh 4s -0.000006 -0.000004 0.000144 0.000194 0.678580 0.208059 1Rh 5s 0.000009 0.000005 -0.000222 -0.000256 0.138969 0.041581 1Rh 6s -0.000013 -0.000004 0.000377 0.000243 -0.031195 -0.008246 1Rh 7s 0.000029 -0.000086 -0.002019 0.001200 0.024506 0.002756 1Rh 8s -0.000048 0.000016 0.001131 -0.000050 0.003485 -0.002630 1Rh 1pz 0.224622 -0.005258 -0.301606 0.006440 0.000107 0.000037 1Rh 1px -0.132242 0.002440 0.920990 -0.019609 -0.000328 -0.000113 1Rh 1py 0.954253 -0.020185 0.198628 -0.004061 -0.000046 -0.000016 1Rh 2pz 0.006191 -0.000143 -0.008309 0.000175 -0.000241 -0.000092 1Rh 2px -0.003646 0.000066 0.025368 -0.000533 0.000737 0.000288 1Rh 2py 0.026297 -0.000552 0.005470 -0.000111 0.000103 0.000043 1Rh 3pz -0.002721 0.000055 0.003650 -0.000069 -0.000096 0.000070 1Rh 3px 0.001608 -0.000023 -0.011127 0.000211 0.000280 -0.000262 1Rh 3py -0.011543 0.000218 -0.002392 0.000047 0.000044 -0.000049 1Rh 4pz 0.001949 -0.000023 -0.002620 0.000057 0.000164 -0.000168 1Rh 4px -0.001161 0.000008 0.007962 -0.000179 -0.000468 0.000626 1Rh 4py 0.008235 -0.000102 0.001698 -0.000043 -0.000070 0.000116 1Rh 5pz -0.000912 -0.000018 0.001273 -0.000107 -0.000095 0.000134 1Rh 5px 0.000559 0.000008 -0.003836 0.000342 0.000222 -0.000582 1Rh 5py -0.003800 -0.000051 -0.000792 0.000071 -0.000009 -0.000122 1Rh 6pz 0.000484 0.000282 -0.001061 0.000297 -0.002491 0.002147 1Rh 6px -0.000430 -0.000199 0.002879 -0.000849 0.007852 -0.005860 1Rh 6py 0.001561 0.000798 0.000254 -0.000081 0.002445 -0.000375 1Rh 1dz2 -0.000002 -0.000001 -0.000006 0.000003 0.000092 0.000030 1Rh 1dxz 0.000005 0.000001 -0.000008 0.000004 0.000113 0.000037 1Rh 1dyz -0.000004 -0.000001 -0.000002 0.000001 0.000023 0.000007 1Rh 1dx2y2 -0.000005 -0.000001 0.000012 -0.000006 -0.000174 -0.000056 1Rh 1dxy 0.000017 0.000004 0.000005 -0.000002 -0.000073 -0.000023 1Rh 2dz2 0.000003 0.000004 0.000002 -0.000012 0.000056 0.000009 1Rh 2dxz -0.000004 -0.000005 0.000002 -0.000016 0.000073 0.000010 1Rh 2dyz 0.000004 0.000006 0.000001 -0.000002 0.000011 0.000002 1Rh 2dx2y2 0.000005 0.000004 -0.000004 0.000024 -0.000106 -0.000017 1Rh 2dxy -0.000018 -0.000019 -0.000003 0.000007 -0.000037 -0.000005 1Rh 3dz2 -0.000005 -0.000010 0.000002 0.000034 0.000051 0.000043 1Rh 3dxz 0.000006 0.000013 0.000004 0.000046 0.000052 0.000055 1Rh 3dyz -0.000005 -0.000014 -0.000000 0.000007 0.000019 0.000012 1Rh 3dx2y2 -0.000007 -0.000010 -0.000005 -0.000070 -0.000092 -0.000082 1Rh 3dxy 0.000026 0.000048 0.000002 -0.000022 -0.000057 -0.000038 1Rh 4dz2 0.000006 0.000020 -0.000017 -0.000095 -0.000091 -0.000127 1Rh 4dxz -0.000004 -0.000022 -0.000025 -0.000129 -0.000091 -0.000167 1Rh 4dyz 0.000003 0.000027 -0.000003 -0.000020 -0.000036 -0.000034 1Rh 4dx2y2 0.000004 0.000017 0.000036 0.000195 0.000162 0.000249 1Rh 4dxy -0.000028 -0.000090 0.000008 0.000064 0.000105 0.000107 1Rh 5dz2 0.000001 -0.000034 0.000093 0.000240 0.000389 0.000665 1Rh 5dxz -0.000026 0.000025 0.000129 0.000327 0.000435 0.000891 1Rh 5dyz 0.000026 -0.000043 0.000022 0.000054 0.000124 0.000163 1Rh 5dx2y2 0.000032 -0.000015 -0.000190 -0.000493 -0.000713 -0.001334 1Rh 5dxy -0.000050 0.000125 -0.000067 -0.000165 -0.000355 -0.000517 1Rh 1f0 -0.000022 0.000003 -0.000010 -0.000019 0.000013 -0.000034 1Rh 1f+1 -0.000005 0.000000 0.000007 0.000016 -0.000007 0.000029 1Rh 1f-1 -0.000037 0.000005 -0.000002 0.000003 0.000006 0.000009 1Rh 1f+2 -0.000005 0.000001 0.000010 0.000025 -0.000010 0.000047 1Rh 1f-2 -0.000028 0.000003 0.000002 0.000010 -0.000001 0.000020 1Rh 1f+3 0.000012 -0.000001 0.000013 0.000029 -0.000014 0.000054 1Rh 1f-3 -0.000009 0.000000 0.000008 0.000018 -0.000011 0.000032 2C 1s -0.000002 -0.000001 0.000001 -0.000001 -0.000001 0.000003 2C 2s 0.000005 0.000002 -0.000004 0.000004 0.000005 -0.000010 2C 3s -0.000007 0.000004 -0.000043 0.000042 -0.000318 -0.000511 2C 4s -0.000066 -0.000060 0.000467 -0.000466 0.001858 0.003350 2C 5s 0.000437 0.000786 -0.000369 0.000177 -0.002300 -0.002172 2C 1pz -0.000001 -0.000005 -0.000003 0.000003 -0.000014 -0.000026 2C 1px -0.000000 0.000002 0.000002 0.000003 -0.000005 0.000017 2C 1py 0.000002 0.000004 -0.000001 0.000003 -0.000015 -0.000021 2C 2pz -0.000112 -0.000035 0.000350 -0.000371 0.000771 0.001432 2C 2px -0.000049 -0.000023 0.000076 -0.000068 0.000153 0.000143 2C 2py -0.000075 -0.000062 0.000233 -0.000240 0.000557 0.001010 2C 3pz 0.000110 0.000155 -0.000131 0.000111 -0.000439 -0.000303 2C 3px 0.000125 -0.000031 -0.000104 0.000048 0.000578 0.000218 2C 3py 0.000009 0.000061 -0.000088 0.000052 -0.000222 -0.000388 2C 1dz2 -0.000001 -0.000006 0.000009 -0.000008 0.000042 0.000029 2C 1dxz -0.000006 0.000002 0.000005 -0.000007 -0.000019 0.000026 2C 1dyz 0.000000 0.000005 0.000011 -0.000010 0.000031 0.000076 2C 1dx2y2 -0.000005 0.000000 -0.000007 0.000007 -0.000023 0.000001 2C 1dxy -0.000003 0.000004 0.000000 -0.000002 -0.000012 0.000033 2C 2dz2 -0.000016 0.000008 0.000085 -0.000070 0.000118 0.000350 2C 2dxz 0.000026 0.000005 -0.000002 -0.000048 0.000189 0.000237 2C 2dyz -0.000076 -0.000065 0.000125 -0.000114 0.000301 0.000355 2C 2dx2y2 0.000032 -0.000003 -0.000021 0.000042 0.000007 -0.000259 2C 2dxy -0.000014 -0.000020 0.000003 -0.000036 0.000102 0.000029 2C 1f0 0.000006 0.000005 0.000010 0.000002 0.000005 0.000031 2C 1f+1 0.000002 0.000003 0.000005 -0.000013 0.000031 0.000026 2C 1f-1 -0.000004 0.000000 0.000008 -0.000005 0.000054 0.000116 2C 1f+2 0.000001 0.000002 -0.000011 0.000004 -0.000031 -0.000063 2C 1f-2 0.000006 -0.000003 -0.000005 -0.000009 0.000040 0.000048 2C 1f+3 0.000002 -0.000003 -0.000001 -0.000004 0.000019 0.000005 2C 1f-3 -0.000004 -0.000000 0.000009 -0.000004 0.000000 0.000007 3C 1s 0.000002 0.000002 0.000001 -0.000001 -0.000000 0.000002 3C 2s -0.000007 -0.000005 -0.000004 0.000004 0.000002 -0.000008 3C 3s 0.000024 0.000002 -0.000045 0.000039 -0.000290 -0.000524 3C 4s -0.000030 0.000061 0.000471 -0.000464 0.001776 0.003401 3C 5s -0.000199 -0.000565 -0.000251 0.000204 -0.002417 -0.002085 3C 1pz 0.000007 0.000009 -0.000002 0.000001 -0.000011 -0.000033 3C 1px 0.000000 -0.000000 0.000001 0.000003 -0.000008 0.000003 3C 1py 0.000002 0.000003 0.000004 -0.000003 0.000007 0.000023 3C 2pz -0.000015 -0.000021 0.000200 -0.000212 0.000476 0.001021 3C 2px 0.000035 0.000010 0.000145 -0.000133 0.000284 0.000463 3C 2py -0.000050 -0.000084 -0.000357 0.000364 -0.000712 -0.001436 3C 3pz -0.000024 -0.000097 -0.000014 0.000045 -0.000552 -0.000466 3C 3px -0.000149 0.000054 -0.000088 0.000030 0.000353 -0.000148 3C 3py 0.000006 0.000125 0.000129 -0.000136 0.000362 0.000134 3C 1dz2 0.000002 0.000006 -0.000000 0.000001 -0.000001 -0.000028 3C 1dxz 0.000001 0.000002 0.000005 -0.000007 0.000007 0.000015 3C 1dyz 0.000001 -0.000002 -0.000009 0.000008 -0.000043 -0.000063 3C 1dx2y2 0.000007 -0.000001 -0.000011 0.000010 -0.000039 -0.000020 3C 1dxy -0.000004 0.000006 -0.000007 0.000009 0.000017 -0.000056 3C 2dz2 -0.000030 -0.000043 -0.000014 0.000028 -0.000071 -0.000043 3C 2dxz -0.000013 -0.000011 0.000012 -0.000057 0.000030 0.000225 3C 2dyz -0.000024 -0.000029 -0.000124 0.000089 -0.000169 -0.000302 3C 2dx2y2 -0.000034 -0.000002 -0.000075 0.000064 -0.000134 -0.000456 3C 2dxy 0.000009 -0.000029 -0.000045 0.000080 -0.000279 -0.000236 3C 1f0 -0.000003 0.000001 -0.000001 0.000002 -0.000037 -0.000062 3C 1f+1 -0.000001 -0.000006 0.000007 -0.000001 -0.000005 0.000003 3C 1f-1 0.000004 0.000003 -0.000004 -0.000002 0.000008 -0.000002 3C 1f+2 -0.000001 -0.000002 -0.000008 -0.000002 -0.000028 -0.000094 3C 1f-2 0.000003 -0.000000 -0.000005 0.000010 -0.000047 -0.000063 3C 1f+3 -0.000006 0.000003 0.000004 -0.000015 0.000041 0.000058 3C 1f-3 -0.000003 0.000002 -0.000016 0.000001 -0.000010 -0.000042 4C 1s -0.000003 -0.000002 0.000002 -0.000003 0.000002 0.000005 4C 2s 0.000010 0.000008 -0.000008 0.000009 -0.000011 -0.000027 4C 3s -0.000276 -0.000268 -0.000050 0.000045 0.000464 0.000810 4C 4s 0.001216 0.001241 0.000877 -0.000854 -0.001872 -0.002908 4C 5s 0.000669 0.000570 0.000177 -0.000154 0.001115 0.001010 4C 1pz -0.000019 -0.000007 -0.000011 0.000007 -0.000081 -0.000101 4C 1px 0.000018 -0.000027 0.000004 0.000005 0.000074 -0.000076 4C 1py -0.000011 -0.000021 -0.000004 0.000005 -0.000021 -0.000082 4C 2pz 0.000255 0.000045 0.000599 -0.000436 0.001366 0.001186 4C 2px -0.000357 0.000500 -0.000198 -0.000293 -0.001691 0.001546 4C 2py 0.000073 0.000265 0.000279 -0.000364 0.000183 0.001260 4C 3pz 0.000780 0.000836 -0.000489 0.000326 -0.000100 0.000792 4C 3px 0.000068 0.000212 0.000035 0.000094 0.000577 -0.000478 4C 3py 0.000698 0.000741 -0.000294 0.000243 0.000261 0.000427 4C 1dz2 -0.000020 -0.000022 0.000020 -0.000016 0.000027 0.000013 4C 1dxz -0.000022 -0.000012 -0.000000 -0.000011 -0.000026 0.000027 4C 1dyz -0.000015 -0.000008 0.000033 -0.000033 0.000015 0.000036 4C 1dx2y2 0.000021 0.000023 -0.000002 0.000005 -0.000011 -0.000016 4C 1dxy 0.000008 0.000006 0.000005 -0.000011 -0.000020 0.000025 4C 2dz2 0.000109 -0.000050 -0.000209 0.000276 0.000167 -0.000622 4C 2dxz -0.000140 0.000040 -0.000281 0.000193 -0.000522 0.000358 4C 2dyz 0.000172 0.000096 -0.000267 0.000276 -0.000394 -0.000806 4C 2dx2y2 0.000122 0.000141 0.000260 -0.000289 -0.000131 0.000017 4C 2dxy -0.000023 0.000228 -0.000028 -0.000046 -0.000596 0.000010 4C 1f0 -0.000022 -0.000005 -0.000029 -0.000016 0.000051 0.000069 4C 1f+1 -0.000024 -0.000032 0.000007 0.000037 0.000056 0.000159 4C 1f-1 0.000016 -0.000010 0.000005 -0.000012 0.000120 0.000094 4C 1f+2 0.000039 -0.000009 0.000033 0.000008 -0.000039 -0.000189 4C 1f-2 -0.000014 0.000017 0.000024 0.000018 -0.000053 0.000085 4C 1f+3 0.000024 -0.000016 0.000033 0.000022 0.000035 -0.000027 4C 1f-3 -0.000003 -0.000050 -0.000003 0.000023 0.000129 0.000072 5C 1s 0.000003 0.000002 0.000003 -0.000003 0.000002 0.000006 5C 2s -0.000009 -0.000008 -0.000009 0.000008 -0.000011 -0.000028 5C 3s 0.000253 0.000236 -0.000028 0.000069 0.000424 0.000803 5C 4s -0.001125 -0.001026 0.000759 -0.000988 -0.001621 -0.002889 5C 5s -0.000734 -0.000569 0.000171 -0.000129 0.000925 0.001260 5C 1pz 0.000014 -0.000002 -0.000003 0.000003 -0.000060 -0.000052 5C 1px -0.000018 0.000024 0.000000 0.000010 0.000070 -0.000087 5C 1py -0.000025 -0.000015 0.000008 -0.000009 0.000075 0.000107 5C 2pz -0.000239 0.000050 0.000343 -0.000222 0.001114 0.000619 5C 2px 0.000362 -0.000420 -0.000037 -0.000478 -0.001749 0.001622 5C 2py 0.000323 0.000130 -0.000515 0.000480 -0.001167 -0.001433 5C 3pz -0.000342 -0.000375 -0.000266 0.000192 -0.000232 0.000671 5C 3px -0.000164 -0.000370 -0.000094 0.000245 0.000672 0.000207 5C 3py 0.000830 0.000903 0.000381 -0.000351 0.000260 -0.000834 5C 1dz2 0.000010 0.000014 -0.000005 0.000011 0.000013 -0.000013 5C 1dxz 0.000024 0.000013 0.000005 -0.000007 -0.000010 0.000031 5C 1dyz -0.000007 -0.000010 -0.000031 0.000029 -0.000035 -0.000024 5C 1dx2y2 -0.000021 -0.000022 -0.000018 0.000010 -0.000024 -0.000011 5C 1dxy -0.000014 -0.000014 -0.000014 0.000022 0.000025 -0.000036 5C 2dz2 0.000061 0.000100 -0.000035 0.000086 0.000382 0.000184 5C 2dxz 0.000080 0.000028 -0.000219 0.000195 -0.000329 -0.000009 5C 2dyz 0.000209 0.000106 0.000178 -0.000216 0.000130 0.000892 5C 2dx2y2 -0.000015 -0.000138 0.000325 -0.000412 -0.000349 0.000428 5C 2dxy -0.000130 0.000156 0.000256 -0.000167 0.000780 0.000086 5C 1f0 0.000038 -0.000006 -0.000026 -0.000002 -0.000056 0.000007 5C 1f+1 -0.000003 0.000036 -0.000003 0.000024 0.000105 0.000053 5C 1f-1 0.000004 -0.000009 0.000012 0.000006 -0.000054 0.000003 5C 1f+2 -0.000005 0.000015 0.000023 0.000033 -0.000050 -0.000081 5C 1f-2 -0.000040 0.000008 0.000001 -0.000010 0.000023 -0.000193 5C 1f+3 0.000000 0.000028 0.000023 0.000042 0.000108 0.000147 5C 1f-3 -0.000023 -0.000023 0.000037 0.000007 -0.000107 -0.000118 6C 1s -0.000003 -0.000003 0.000002 -0.000003 0.000004 0.000005 6C 2s 0.000009 0.000008 -0.000008 0.000009 -0.000018 -0.000025 6C 3s -0.000257 -0.000232 -0.000068 0.000032 0.000428 0.000806 6C 4s 0.001120 0.001032 0.000957 -0.000806 -0.001484 -0.002991 6C 5s 0.000618 0.000684 0.000122 -0.000180 0.000524 0.001473 6C 1pz -0.000001 0.000013 0.000003 -0.000004 0.000009 0.000078 6C 1px 0.000025 -0.000018 0.000010 0.000000 0.000111 -0.000009 6C 1py -0.000016 -0.000024 -0.000009 0.000009 -0.000047 -0.000122 6C 2pz 0.000043 -0.000228 -0.000206 0.000353 0.000108 -0.001262 6C 2px -0.000432 0.000358 -0.000482 -0.000018 -0.002315 0.000532 6C 2py 0.000144 0.000306 0.000457 -0.000536 0.000538 0.001758 6C 3pz -0.000415 -0.000300 0.000180 -0.000272 -0.000695 -0.000170 6C 3px -0.000394 -0.000138 0.000239 -0.000105 0.000212 -0.000676 6C 3py 0.000971 0.000761 -0.000334 0.000392 0.000850 0.000238 6C 1dz2 -0.000014 -0.000009 -0.000011 0.000006 -0.000018 0.000004 6C 1dxz -0.000015 -0.000023 0.000007 -0.000005 0.000031 0.000010 6C 1dyz 0.000011 0.000007 -0.000028 0.000032 -0.000000 -0.000041 6C 1dx2y2 0.000024 0.000019 -0.000009 0.000018 0.000004 -0.000026 6C 1dxy 0.000015 0.000012 -0.000021 0.000014 -0.000044 -0.000001 6C 2dz2 -0.000112 -0.000055 -0.000085 0.000039 -0.000062 0.000422 6C 2dxz -0.000028 -0.000071 -0.000186 0.000228 0.000175 -0.000272 6C 2dyz -0.000118 -0.000195 0.000208 -0.000186 0.000666 0.000609 6C 2dx2y2 0.000145 0.000011 0.000398 -0.000342 0.000551 -0.000053 6C 2dxy -0.000157 0.000132 0.000155 -0.000263 -0.000363 0.000691 6C 1f0 -0.000005 0.000036 -0.000003 -0.000026 -0.000037 0.000042 6C 1f+1 0.000037 -0.000005 0.000024 -0.000004 0.000015 -0.000118 6C 1f-1 -0.000009 0.000004 0.000007 0.000011 -0.000033 0.000043 6C 1f+2 0.000015 -0.000006 0.000034 0.000022 0.000039 0.000087 6C 1f-2 0.000008 -0.000038 -0.000010 0.000001 0.000173 0.000090 6C 1f+3 0.000030 -0.000001 0.000043 0.000021 -0.000062 -0.000172 6C 1f-3 -0.000025 -0.000021 0.000009 0.000037 0.000037 0.000155 7C 1s 0.000002 0.000003 0.000003 -0.000003 0.000003 0.000005 7C 2s -0.000008 -0.000010 -0.000008 0.000009 -0.000017 -0.000024 7C 3s 0.000270 0.000274 -0.000044 0.000052 0.000415 0.000841 7C 4s -0.001249 -0.001202 0.000819 -0.000911 -0.001382 -0.003200 7C 5s -0.000578 -0.000674 0.000146 -0.000184 0.000198 0.001493 7C 1pz -0.000008 -0.000020 0.000006 -0.000012 0.000038 0.000124 7C 1px -0.000025 0.000020 0.000005 0.000004 0.000105 -0.000019 7C 1py -0.000021 -0.000010 0.000005 -0.000004 0.000057 0.000064 7C 2pz 0.000057 0.000270 -0.000409 0.000617 -0.000218 -0.001787 7C 2px 0.000461 -0.000400 -0.000302 -0.000188 -0.002215 0.000537 7C 2py 0.000262 0.000062 -0.000355 0.000296 -0.000939 -0.000858 7C 3pz 0.000834 0.000777 0.000305 -0.000507 -0.000709 -0.000352 7C 3px 0.000203 0.000063 0.000096 0.000032 0.000731 -0.000213 7C 3py 0.000753 0.000682 0.000231 -0.000309 -0.000199 -0.000447 7C 1dz2 0.000022 0.000019 0.000015 -0.000020 -0.000004 0.000030 7C 1dxz 0.000012 0.000022 0.000011 -0.000000 0.000037 -0.000006 7C 1dyz 0.000008 0.000015 0.000031 -0.000034 0.000022 0.000033 7C 1dx2y2 -0.000023 -0.000021 -0.000005 0.000002 -0.000008 -0.000018 7C 1dxy -0.000006 -0.000008 0.000011 -0.000006 0.000032 -0.000003 7C 2dz2 0.000041 -0.000115 -0.000266 0.000220 -0.000605 -0.000207 7C 2dxz -0.000029 0.000152 -0.000180 0.000289 0.000588 -0.000228 7C 2dyz -0.000097 -0.000172 -0.000265 0.000279 -0.000451 -0.000777 7C 2dx2y2 -0.000140 -0.000118 0.000278 -0.000273 0.000085 -0.000101 7C 2dxy -0.000221 0.000033 0.000047 0.000027 0.000340 -0.000491 7C 1f0 -0.000006 -0.000022 -0.000018 -0.000028 -0.000028 -0.000080 7C 1f+1 -0.000032 -0.000023 0.000037 0.000005 -0.000101 -0.000135 7C 1f-1 -0.000008 0.000017 -0.000011 0.000006 -0.000011 -0.000152 7C 1f+2 -0.000006 0.000041 0.000009 0.000032 0.000135 0.000139 7C 1f-2 0.000015 -0.000016 0.000020 0.000023 -0.000100 -0.000003 7C 1f+3 -0.000013 0.000026 0.000024 0.000032 0.000042 -0.000014 7C 1f-3 -0.000048 -0.000000 0.000023 -0.000004 0.000012 -0.000148 8C 1s -0.000002 -0.000002 0.000001 -0.000001 0.000002 0.000001 8C 2s 0.000005 0.000006 -0.000004 0.000004 -0.000008 -0.000003 8C 3s -0.000002 -0.000023 -0.000037 0.000047 -0.000272 -0.000533 8C 4s -0.000065 0.000034 0.000443 -0.000490 0.001826 0.003374 8C 5s 0.000611 0.000156 -0.000192 0.000258 -0.000354 -0.003198 8C 1pz 0.000009 0.000006 0.000001 -0.000002 0.000021 0.000028 8C 1px -0.000000 0.000000 0.000003 0.000001 -0.000007 0.000005 8C 1py 0.000003 0.000002 -0.000002 0.000004 -0.000015 -0.000019 8C 2pz -0.000019 -0.000015 -0.000204 0.000209 -0.000579 -0.000963 8C 2px 0.000014 0.000033 -0.000127 0.000151 -0.000223 -0.000492 8C 2py -0.000090 -0.000042 0.000349 -0.000372 0.000793 0.001394 8C 3pz -0.000101 -0.000022 0.000044 -0.000016 0.000075 0.000718 8C 3px 0.000048 -0.000146 0.000027 -0.000090 0.000313 -0.000217 8C 3py 0.000132 -0.000004 -0.000130 0.000134 0.000092 -0.000384 8C 1dz2 -0.000006 -0.000002 -0.000001 0.000000 -0.000022 -0.000016 8C 1dxz -0.000002 -0.000001 0.000007 -0.000005 0.000008 0.000014 8C 1dyz 0.000002 -0.000001 -0.000008 0.000009 -0.000029 -0.000071 8C 1dx2y2 0.000001 -0.000007 -0.000009 0.000011 0.000006 -0.000044 8C 1dxy -0.000007 0.000004 -0.000008 0.000007 -0.000056 -0.000017 8C 2dz2 0.000045 0.000028 -0.000028 0.000016 0.000006 -0.000084 8C 2dxz 0.000011 0.000014 0.000057 -0.000014 0.000170 0.000152 8C 2dyz 0.000033 0.000019 -0.000084 0.000128 -0.000154 -0.000311 8C 2dx2y2 0.000004 0.000034 -0.000061 0.000078 -0.000303 -0.000364 8C 2dxy 0.000030 -0.000010 -0.000078 0.000048 -0.000040 -0.000364 8C 1f0 0.000000 -0.000003 0.000002 -0.000001 0.000031 0.000065 8C 1f+1 -0.000006 -0.000001 -0.000001 0.000007 -0.000005 0.000002 8C 1f-1 0.000003 0.000004 -0.000003 -0.000003 0.000006 -0.000005 8C 1f+2 -0.000002 -0.000001 -0.000002 -0.000008 0.000062 0.000076 8C 1f-2 -0.000000 0.000003 0.000010 -0.000005 0.000026 0.000074 8C 1f+3 0.000003 -0.000006 -0.000015 0.000005 -0.000025 -0.000066 8C 1f-3 0.000002 -0.000003 -0.000000 -0.000016 0.000029 0.000032 9C 1s 0.000001 0.000002 0.000001 -0.000001 0.000003 0.000001 9C 2s -0.000002 -0.000006 -0.000004 0.000004 -0.000011 -0.000002 9C 3s -0.000003 0.000009 -0.000040 0.000045 -0.000246 -0.000550 9C 4s 0.000057 0.000059 0.000445 -0.000487 0.001738 0.003414 9C 5s -0.000776 -0.000403 -0.000163 0.000382 -0.000504 -0.003145 9C 1pz -0.000005 -0.000001 0.000003 -0.000003 0.000014 0.000026 9C 1px 0.000001 -0.000000 0.000003 0.000002 -0.000017 -0.000006 9C 1py 0.000005 0.000002 0.000003 -0.000001 0.000009 0.000024 9C 2pz -0.000034 -0.000109 -0.000355 0.000364 -0.000756 -0.001440 9C 2px -0.000023 -0.000050 -0.000064 0.000079 -0.000032 -0.000204 9C 2py -0.000066 -0.000073 -0.000232 0.000244 -0.000525 -0.001026 9C 3pz 0.000153 0.000101 0.000104 -0.000136 0.000010 0.000545 9C 3px -0.000024 0.000134 0.000043 -0.000106 0.000139 -0.000606 9C 3py 0.000061 0.000013 0.000051 -0.000093 0.000190 0.000389 9C 1dz2 0.000006 0.000000 0.000008 -0.000009 0.000000 0.000051 9C 1dxz -0.000002 0.000006 0.000007 -0.000005 0.000032 -0.000001 9C 1dyz -0.000005 0.000000 0.000010 -0.000012 0.000046 0.000068 9C 1dx2y2 0.000000 0.000005 -0.000007 0.000007 0.000013 -0.000018 9C 1dxy -0.000004 0.000004 0.000002 -0.000000 0.000035 0.000008 9C 2dz2 -0.000009 0.000018 0.000066 -0.000088 0.000221 0.000290 9C 2dxz -0.000007 -0.000026 0.000048 0.000001 0.000092 0.000285 9C 2dyz 0.000066 0.000072 0.000109 -0.000130 0.000128 0.000451 9C 2dx2y2 0.000001 -0.000032 -0.000042 0.000023 -0.000219 -0.000142 9C 2dxy 0.000019 0.000012 0.000035 -0.000005 -0.000037 0.000105 9C 1f0 0.000005 0.000006 0.000003 0.000010 -0.000022 -0.000020 9C 1f+1 0.000004 0.000002 -0.000013 0.000005 -0.000004 -0.000039 9C 1f-1 0.000000 -0.000004 -0.000004 0.000008 -0.000066 -0.000110 9C 1f+2 0.000002 0.000001 0.000004 -0.000011 0.000036 0.000062 9C 1f-2 -0.000003 0.000006 -0.000009 -0.000005 -0.000017 -0.000059 9C 1f+3 -0.000003 0.000002 -0.000005 -0.000001 0.000006 -0.000019 9C 1f-3 -0.000001 -0.000004 -0.000003 0.000009 -0.000005 -0.000005 10H 1s -0.000001 -0.000003 -0.000008 0.000006 0.000017 -0.000003 10H 2s 0.000015 0.000046 -0.000008 -0.000068 -0.000088 0.000223 10H 3s -0.000048 -0.000059 0.000017 0.000058 0.000052 -0.000050 10H 1pz 0.000000 0.000004 -0.000003 -0.000006 -0.000041 -0.000027 10H 1px 0.000000 -0.000001 0.000004 0.000008 -0.000007 -0.000008 10H 1py 0.000003 0.000002 -0.000002 -0.000002 -0.000017 -0.000014 11H 1s -0.000011 -0.000002 0.000001 -0.000003 -0.000046 -0.000039 11H 2s -0.000034 -0.000023 0.000036 -0.000010 0.000167 -0.000126 11H 3s 0.000066 -0.000072 -0.000086 0.000084 0.000560 0.000679 11H 1pz -0.000000 0.000002 -0.000004 0.000006 0.000010 -0.000043 11H 1px -0.000010 -0.000006 0.000007 -0.000004 -0.000011 -0.000064 11H 1py 0.000011 0.000001 -0.000012 0.000010 0.000014 0.000015 12H 1s -0.000007 -0.000002 -0.000002 0.000000 -0.000042 -0.000015 12H 2s 0.000026 -0.000026 0.000052 -0.000003 0.000280 -0.000050 12H 3s -0.000015 -0.000049 -0.000073 0.000050 0.000417 0.000392 12H 1pz 0.000003 0.000001 -0.000010 0.000008 0.000016 -0.000018 12H 1px -0.000002 -0.000007 0.000005 -0.000002 0.000002 -0.000050 12H 1py 0.000001 -0.000004 0.000005 0.000002 0.000015 -0.000039 13H 1s 0.000002 0.000005 -0.000007 0.000006 0.000018 -0.000010 13H 2s -0.000036 -0.000053 -0.000011 -0.000070 -0.000090 0.000241 13H 3s 0.000048 -0.000008 0.000007 0.000073 0.000063 0.000032 13H 1pz -0.000006 -0.000008 -0.000005 -0.000006 -0.000013 -0.000005 13H 1px 0.000003 -0.000001 0.000002 0.000008 -0.000005 -0.000006 13H 1py 0.000003 0.000007 0.000003 0.000003 0.000044 0.000023 14H 1s 0.000013 0.000001 -0.000002 0.000002 -0.000040 -0.000007 14H 2s -0.000034 -0.000028 0.000050 0.000001 0.000299 -0.000007 14H 3s -0.000074 0.000079 -0.000071 0.000037 0.000351 0.000282 14H 1pz -0.000007 -0.000009 0.000000 0.000004 0.000012 -0.000006 14H 1px 0.000002 -0.000004 0.000009 0.000000 0.000009 -0.000049 14H 1py 0.000009 0.000000 0.000007 -0.000006 -0.000012 0.000032 15H 1s 0.000012 0.000009 0.000004 -0.000003 -0.000045 -0.000046 15H 2s -0.000027 0.000011 0.000029 -0.000006 0.000111 -0.000116 15H 3s -0.000029 0.000003 -0.000102 0.000087 0.000576 0.000724 15H 1pz -0.000002 -0.000004 -0.000015 0.000012 0.000023 0.000043 15H 1px 0.000001 0.000002 -0.000001 0.000003 -0.000004 -0.000032 15H 1py 0.000003 -0.000002 0.000004 -0.000006 -0.000000 0.000054 16H 1s 0.000004 0.000005 -0.000017 0.000031 0.000057 -0.000074 16H 2s -0.000070 -0.000091 0.000048 0.000101 -0.000353 0.001118 16H 3s 0.000024 0.000006 0.000017 -0.000048 0.000049 -0.000283 16H 1pz -0.000013 -0.000006 0.000005 0.000010 -0.000086 0.000218 16H 1px -0.000006 -0.000021 -0.000010 0.000013 0.000053 -0.000081 16H 1py -0.000001 0.000006 -0.000003 -0.000003 -0.000009 0.000010 17H 1s 0.000003 0.000003 -0.000017 0.000031 0.000057 -0.000075 17H 2s -0.000065 -0.000082 0.000050 0.000111 -0.000344 0.001075 17H 3s 0.000018 0.000006 0.000017 -0.000047 0.000057 -0.000300 17H 1pz 0.000013 0.000021 0.000002 -0.000017 0.000032 -0.000111 17H 1px 0.000006 -0.000005 -0.000013 -0.000003 0.000093 -0.000194 17H 1py -0.000002 0.000005 -0.000002 0.000001 -0.000020 0.000032 18H 1s -0.000003 -0.000003 -0.000030 0.000018 -0.000094 0.000006 18H 2s 0.000085 0.000060 -0.000111 -0.000047 0.001080 0.000313 18H 3s -0.000007 -0.000016 0.000046 -0.000019 -0.000281 -0.000121 18H 1pz 0.000021 0.000012 -0.000017 0.000003 0.000112 0.000036 18H 1px -0.000005 0.000006 -0.000002 -0.000013 0.000212 0.000031 18H 1py 0.000006 -0.000002 -0.000000 -0.000002 -0.000033 -0.000000 19H 1s -0.000005 -0.000004 -0.000030 0.000019 -0.000094 0.000006 19H 2s 0.000093 0.000067 -0.000103 -0.000044 0.001127 0.000333 19H 3s -0.000008 -0.000026 0.000047 -0.000019 -0.000261 -0.000118 19H 1pz -0.000006 -0.000012 0.000010 0.000005 -0.000229 -0.000050 19H 1px -0.000021 -0.000005 0.000012 -0.000011 0.000099 0.000003 19H 1py 0.000006 -0.000002 -0.000002 -0.000003 -0.000019 0.000000 20H 1s -0.000009 -0.000011 0.000003 -0.000004 -0.000013 -0.000063 20H 2s -0.000012 0.000030 0.000005 -0.000029 -0.000161 0.000032 20H 3s -0.000006 0.000027 -0.000083 0.000106 0.000274 0.000884 20H 1pz -0.000004 -0.000001 0.000011 -0.000015 -0.000023 -0.000043 20H 1px 0.000002 0.000001 0.000003 -0.000001 0.000025 0.000022 20H 1py -0.000002 0.000004 -0.000006 0.000004 -0.000046 -0.000029 21H 1s -0.000002 -0.000012 -0.000001 0.000002 0.000016 -0.000038 21H 2s 0.000027 0.000030 -0.000003 -0.000049 -0.000175 0.000244 21H 3s -0.000078 0.000079 -0.000035 0.000073 0.000038 0.000460 21H 1pz -0.000010 -0.000006 0.000004 0.000000 0.000012 -0.000007 21H 1px -0.000004 0.000002 0.000001 0.000008 0.000046 0.000020 21H 1py 0.000001 0.000009 -0.000006 0.000007 -0.000033 -0.000007 22H 1s -0.000005 -0.000002 -0.000005 0.000007 -0.000018 0.000010 22H 2s 0.000056 0.000034 0.000070 0.000008 0.000250 0.000062 22H 3s 0.000002 -0.000046 -0.000073 -0.000005 -0.000013 0.000068 22H 1pz -0.000008 -0.000005 -0.000006 -0.000005 -0.000003 0.000014 22H 1px -0.000001 0.000003 0.000008 0.000002 0.000002 0.000009 22H 1py 0.000007 0.000003 0.000003 0.000003 0.000006 -0.000050 23H 1s 0.000002 0.000007 -0.000000 0.000002 0.000011 -0.000044 23H 2s 0.000025 -0.000028 0.000001 -0.000052 -0.000200 0.000202 23H 3s 0.000044 0.000006 -0.000048 0.000075 0.000095 0.000580 23H 1pz 0.000001 0.000003 0.000008 -0.000010 0.000023 -0.000004 23H 1px -0.000007 -0.000002 -0.000002 0.000005 0.000042 0.000026 23H 1py -0.000005 0.000001 0.000003 0.000005 0.000042 0.000010 24H 1s 0.000002 0.000011 0.000003 -0.000001 -0.000006 -0.000060 24H 2s 0.000021 0.000029 0.000008 -0.000037 -0.000201 0.000076 24H 3s 0.000070 -0.000072 -0.000079 0.000089 0.000243 0.000840 24H 1pz 0.000002 0.000000 0.000006 -0.000005 0.000042 0.000014 24H 1px -0.000006 -0.000010 -0.000003 0.000007 0.000048 0.000044 24H 1py 0.000001 0.000011 0.000010 -0.000012 -0.000003 -0.000019 25H 1s 0.000003 0.000001 -0.000006 0.000008 -0.000012 0.000012 25H 2s -0.000045 -0.000016 0.000069 0.000005 0.000232 0.000052 25H 3s 0.000060 0.000048 -0.000059 -0.000015 -0.000074 0.000014 25H 1pz 0.000004 0.000000 -0.000007 -0.000003 -0.000000 0.000048 25H 1px -0.000001 -0.000000 0.000008 0.000003 0.000003 0.000010 25H 1py 0.000002 0.000003 -0.000002 -0.000002 0.000002 0.000023 26O 1s 0.000001 0.000005 -0.000001 -0.000003 -0.000005 -0.000004 26O 2s -0.000003 -0.000017 0.000004 0.000010 0.000030 0.000025 26O 3s 0.000023 0.000118 -0.000027 -0.000104 -0.000331 -0.000308 26O 4s -0.000030 -0.000196 0.000041 0.000407 0.000904 0.001890 26O 5s -0.000303 -0.001125 -0.000271 0.000153 0.002011 -0.006510 26O 1pz 0.000002 0.000033 -0.000007 0.000014 -0.000045 0.000034 26O 1px 0.000002 -0.000005 0.000001 -0.000010 0.000057 -0.000037 26O 1py -0.000003 -0.000003 -0.000004 0.000005 -0.000006 0.000008 26O 2pz -0.000021 -0.000009 0.000059 -0.000068 0.000075 0.000026 26O 2px 0.000009 0.000215 -0.000001 -0.000066 -0.000650 0.000195 26O 2py 0.000020 0.000147 0.000034 -0.000068 -0.000194 0.000083 26O 3pz 0.000070 -0.000134 0.000191 -0.000305 0.000687 -0.003190 26O 3px 0.000253 0.000706 0.000447 -0.000750 -0.000871 -0.000134 26O 3py 0.000032 -0.000103 0.000283 -0.000449 0.000077 -0.001905 26O 1dz2 -0.000007 0.000030 -0.000001 0.000014 -0.000025 0.000033 26O 1dxz 0.000000 0.000006 -0.000009 -0.000018 0.000019 0.000023 26O 1dyz 0.000000 0.000049 0.000002 0.000004 -0.000030 0.000080 26O 1dx2y2 0.000000 0.000006 0.000009 -0.000000 -0.000003 0.000002 26O 1dxy 0.000004 0.000011 0.000001 -0.000013 0.000004 0.000038 26O 2dz2 0.000027 -0.000048 0.000016 -0.000056 -0.000002 -0.000174 26O 2dxz 0.000010 -0.000031 0.000018 0.000085 -0.000040 -0.000114 26O 2dyz 0.000001 -0.000159 0.000005 0.000007 0.000132 -0.000364 26O 2dx2y2 -0.000012 -0.000067 -0.000033 0.000013 0.000130 0.000043 26O 2dxy -0.000020 -0.000086 -0.000011 0.000077 0.000111 -0.000145 26O 1f0 0.000005 -0.000016 0.000001 0.000006 0.000003 0.000003 26O 1f+1 -0.000005 -0.000018 0.000003 0.000008 0.000014 -0.000026 26O 1f-1 -0.000001 -0.000043 -0.000004 -0.000004 0.000015 -0.000027 26O 1f+2 -0.000001 0.000018 -0.000001 -0.000011 -0.000004 0.000019 26O 1f-2 -0.000005 -0.000016 -0.000000 -0.000002 -0.000002 -0.000028 26O 1f+3 -0.000004 -0.000013 -0.000001 -0.000006 0.000012 -0.000008 26O 1f-3 -0.000002 -0.000008 0.000002 0.000007 0.000020 -0.000004 27O 1s -0.000000 -0.000004 -0.000001 -0.000003 -0.000005 -0.000003 27O 2s 0.000002 0.000014 0.000004 0.000009 0.000031 0.000022 27O 3s -0.000013 -0.000094 -0.000023 -0.000100 -0.000352 -0.000283 27O 4s 0.000015 0.000140 0.000019 0.000386 0.000995 0.001811 27O 5s 0.000225 0.000969 -0.000309 0.000433 0.002090 -0.006022 27O 1pz -0.000003 -0.000032 -0.000004 0.000010 -0.000036 0.000031 27O 1px -0.000001 0.000003 -0.000002 -0.000003 0.000055 -0.000022 27O 1py -0.000004 0.000008 0.000007 -0.000012 0.000037 -0.000034 27O 2pz 0.000024 0.000070 0.000033 -0.000041 0.000135 -0.000025 27O 2px -0.000002 -0.000205 0.000028 -0.000134 -0.000719 0.000114 27O 2py 0.000013 0.000083 -0.000062 0.000088 0.000013 -0.000015 27O 3pz -0.000079 -0.000004 0.000044 -0.000002 0.000565 -0.001705 27O 3px -0.000206 -0.000484 0.000497 -0.000826 -0.000818 -0.000422 27O 3py 0.000009 -0.000336 -0.000210 0.000308 -0.000538 0.002771 27O 1dz2 0.000005 0.000008 -0.000003 0.000005 0.000004 -0.000035 27O 1dxz 0.000002 -0.000013 -0.000009 -0.000010 0.000010 0.000017 27O 1dyz -0.000005 0.000049 -0.000006 -0.000009 0.000037 -0.000072 27O 1dx2y2 -0.000004 0.000011 0.000005 -0.000013 0.000016 -0.000017 27O 1dxy 0.000003 0.000014 0.000007 0.000018 -0.000008 -0.000050 27O 2dz2 -0.000017 -0.000065 0.000015 -0.000047 -0.000119 0.000116 27O 2dxz -0.000017 0.000033 0.000025 0.000044 -0.000058 -0.000106 27O 2dyz 0.000015 -0.000145 0.000002 0.000022 -0.000139 0.000321 27O 2dx2y2 0.000019 0.000021 -0.000032 0.000073 0.000105 0.000138 27O 2dxy -0.000004 -0.000065 -0.000013 -0.000100 -0.000050 0.000219 27O 1f0 -0.000003 -0.000018 0.000004 0.000009 -0.000011 0.000016 27O 1f+1 0.000001 0.000009 0.000002 0.000007 0.000015 -0.000001 27O 1f-1 0.000003 -0.000017 0.000001 -0.000000 -0.000006 -0.000003 27O 1f+2 0.000004 -0.000025 0.000003 -0.000001 -0.000001 0.000015 27O 1f-2 -0.000002 -0.000023 -0.000001 -0.000009 -0.000002 0.000033 27O 1f+3 0.000005 0.000026 0.000001 0.000004 0.000021 -0.000032 27O 1f-3 0.000004 -0.000004 -0.000001 -0.000012 -0.000014 0.000001 28O 1s 0.000004 0.000000 0.000002 0.000001 -0.000000 -0.000006 28O 2s -0.000015 -0.000001 -0.000009 -0.000003 0.000002 0.000038 28O 3s 0.000103 0.000011 0.000094 0.000015 -0.000065 -0.000450 28O 4s -0.000155 -0.000019 -0.000369 0.000016 0.001057 0.001822 28O 5s -0.000987 -0.000278 -0.000427 0.000367 -0.005722 -0.001510 28O 1pz 0.000024 -0.000001 -0.000008 0.000007 0.000021 0.000004 28O 1px 0.000023 -0.000000 -0.000009 0.000001 0.000062 -0.000042 28O 1py -0.000000 -0.000005 -0.000009 0.000005 0.000038 -0.000014 28O 2pz 0.000109 -0.000005 0.000127 -0.000077 0.000180 -0.000242 28O 2px -0.000199 -0.000017 -0.000074 0.000011 -0.000356 0.000510 28O 2py 0.000070 0.000017 0.000051 -0.000043 -0.000025 0.000051 28O 3pz 0.000195 0.000207 0.000596 -0.000430 -0.002257 -0.001342 28O 3px -0.000466 -0.000128 -0.000565 0.000374 -0.001301 0.000257 28O 3py -0.000371 -0.000011 0.000171 -0.000125 -0.001988 -0.000802 28O 1dz2 0.000029 -0.000004 0.000011 0.000006 0.000032 0.000024 28O 1dxz 0.000007 -0.000008 -0.000019 0.000001 0.000008 -0.000020 28O 1dyz 0.000043 -0.000002 -0.000002 -0.000001 0.000084 0.000024 28O 1dx2y2 0.000002 0.000001 -0.000000 -0.000009 0.000000 -0.000006 28O 1dxy 0.000022 -0.000005 -0.000015 -0.000008 0.000030 -0.000012 28O 2dz2 -0.000091 0.000019 -0.000061 -0.000017 -0.000164 -0.000100 28O 2dxz 0.000044 0.000028 0.000107 -0.000027 0.000008 -0.000105 28O 2dyz -0.000136 0.000007 -0.000016 -0.000006 -0.000371 -0.000102 28O 2dx2y2 -0.000043 -0.000014 -0.000012 0.000036 -0.000007 0.000144 28O 2dxy -0.000061 0.000013 0.000064 0.000011 -0.000108 0.000024 28O 1f0 -0.000016 -0.000003 -0.000004 -0.000001 -0.000017 0.000000 28O 1f+1 -0.000017 0.000005 -0.000013 -0.000001 -0.000007 0.000009 28O 1f-1 -0.000042 -0.000001 0.000002 0.000003 -0.000039 -0.000019 28O 1f+2 0.000022 0.000004 0.000004 0.000000 0.000033 -0.000007 28O 1f-2 -0.000012 0.000004 0.000001 0.000003 -0.000001 0.000010 28O 1f+3 0.000001 0.000003 -0.000001 0.000001 0.000006 -0.000008 28O 1f-3 0.000002 0.000000 -0.000013 -0.000003 -0.000007 -0.000007 29O 1s 0.000000 0.000001 0.000002 -0.000009 -0.000006 -0.000005 29O 2s -0.000001 -0.000004 -0.000007 0.000029 0.000038 0.000033 29O 3s 0.000001 0.000023 0.000043 -0.000171 -0.000335 -0.000269 29O 4s -0.000016 -0.000087 -0.000100 0.000625 0.000927 0.001144 29O 5s 0.000137 0.000272 0.000190 -0.001667 -0.001496 -0.003296 29O 1pz 0.000000 -0.000001 0.000006 -0.000009 -0.000021 -0.000014 29O 1px -0.000003 -0.000005 -0.000015 0.000023 0.000063 0.000023 29O 1py -0.000003 -0.000007 0.000000 -0.000009 0.000014 -0.000035 29O 2pz -0.000005 0.000005 -0.000015 0.000022 0.000039 0.000171 29O 2px 0.000019 0.000019 0.000033 -0.000052 -0.000138 -0.000385 29O 2py 0.000003 0.000027 0.000001 0.000040 -0.000114 0.000253 29O 3pz -0.000014 -0.000049 0.000024 -0.000201 -0.000217 -0.000329 29O 3px -0.000021 -0.000019 -0.000055 0.000600 0.000573 0.001246 29O 3py -0.000114 -0.000231 0.000032 0.000153 -0.000082 0.000776 29O 1dz2 -0.000000 -0.000000 -0.000006 0.000013 0.000016 -0.000012 29O 1dxz -0.000001 -0.000002 -0.000010 0.000014 0.000025 -0.000028 29O 1dyz 0.000001 0.000001 -0.000002 0.000003 0.000006 -0.000007 29O 1dx2y2 0.000000 0.000003 0.000015 -0.000016 -0.000040 0.000062 29O 1dxy -0.000002 -0.000003 0.000006 -0.000012 -0.000017 0.000017 29O 2dz2 0.000003 -0.000003 0.000018 -0.000025 -0.000019 -0.000043 29O 2dxz 0.000004 0.000007 0.000027 -0.000020 -0.000054 0.000023 29O 2dyz -0.000001 -0.000003 0.000007 -0.000005 -0.000013 0.000003 29O 2dx2y2 -0.000001 -0.000008 -0.000043 0.000012 0.000114 -0.000155 29O 2dxy 0.000000 0.000009 -0.000017 0.000033 0.000029 0.000020 29O 1f0 -0.000002 -0.000001 0.000003 -0.000002 -0.000015 0.000025 29O 1f+1 0.000001 0.000001 -0.000002 0.000004 0.000007 -0.000004 29O 1f-1 -0.000001 0.000001 -0.000000 0.000011 -0.000010 0.000041 29O 1f+2 0.000002 0.000001 -0.000006 0.000011 0.000019 -0.000016 29O 1f-2 -0.000001 0.000001 -0.000002 0.000010 -0.000003 0.000024 29O 1f+3 0.000002 0.000003 -0.000008 0.000013 0.000028 -0.000032 29O 1f-3 -0.000000 0.000000 -0.000002 0.000005 0.000007 -0.000007 30O 1s -0.000005 -0.000000 0.000003 0.000001 -0.000001 -0.000006 30O 2s 0.000016 0.000002 -0.000010 -0.000003 0.000005 0.000038 30O 3s -0.000112 -0.000016 0.000097 0.000019 -0.000086 -0.000440 30O 4s 0.000183 0.000029 -0.000390 -0.000005 0.001144 0.001758 30O 5s 0.001028 0.000264 -0.000169 0.000344 -0.006379 -0.001978 30O 1pz -0.000024 -0.000002 -0.000002 0.000004 0.000004 0.000002 30O 1px -0.000023 0.000000 -0.000014 0.000004 0.000076 -0.000038 30O 1py 0.000005 -0.000004 0.000007 -0.000006 -0.000019 0.000009 30O 2pz -0.000056 0.000014 0.000063 -0.000042 0.000208 -0.000144 30O 2px 0.000178 0.000017 -0.000024 -0.000016 -0.000403 0.000419 30O 2py 0.000155 0.000014 -0.000085 0.000064 -0.000199 0.000091 30O 3pz -0.000367 -0.000175 0.000527 -0.000345 -0.001469 -0.001095 30O 3px 0.000574 0.000130 -0.000423 0.000309 -0.001910 -0.000101 30O 3py -0.000103 0.000078 -0.000582 0.000402 0.002571 0.001469 30O 1dz2 0.000007 0.000003 0.000007 0.000007 -0.000022 0.000006 30O 1dxz -0.000007 0.000005 -0.000011 0.000004 0.000010 -0.000007 30O 1dyz 0.000048 -0.000003 -0.000003 0.000002 -0.000082 -0.000032 30O 1dx2y2 0.000009 0.000002 -0.000011 -0.000010 -0.000019 -0.000022 30O 1dxy 0.000026 -0.000007 0.000021 0.000001 -0.000037 0.000013 30O 2dz2 -0.000036 -0.000017 -0.000023 -0.000015 0.000096 -0.000048 30O 2dxz -0.000029 -0.000018 0.000055 -0.000027 -0.000008 -0.000096 30O 2dyz -0.000178 0.000009 0.000047 -0.000007 0.000390 0.000072 30O 2dx2y2 -0.000013 0.000007 0.000051 0.000032 0.000097 0.000155 30O 2dxy -0.000033 0.000025 -0.000090 0.000020 0.000115 0.000075 30O 1f0 -0.000018 0.000002 -0.000005 -0.000003 0.000009 0.000016 30O 1f+1 0.000008 -0.000002 -0.000011 -0.000002 -0.000005 -0.000005 30O 1f-1 -0.000014 -0.000000 -0.000001 0.000000 0.000011 0.000010 30O 1f+2 -0.000030 -0.000004 -0.000006 -0.000002 0.000037 0.000009 30O 1f-2 -0.000033 0.000002 0.000002 -0.000001 0.000023 -0.000014 30O 1f+3 0.000016 -0.000003 -0.000010 -0.000000 -0.000012 -0.000005 30O 1f-3 -0.000011 -0.000005 0.000008 0.000002 0.000029 0.000003 31O 1s 0.000001 0.000004 -0.000001 -0.000003 -0.000005 -0.000004 31O 2s -0.000002 -0.000016 0.000004 0.000009 0.000029 0.000026 31O 3s 0.000021 0.000106 -0.000023 -0.000097 -0.000315 -0.000321 31O 4s -0.000036 -0.000174 0.000022 0.000391 0.000815 0.001942 31O 5s -0.000311 -0.000966 -0.000334 0.000188 0.001914 -0.006374 31O 1pz -0.000003 -0.000024 0.000003 -0.000002 0.000000 -0.000004 31O 1px -0.000000 -0.000023 0.000003 -0.000015 0.000074 -0.000041 31O 1py -0.000004 0.000004 -0.000006 0.000007 -0.000018 0.000011 31O 2pz 0.000013 -0.000049 -0.000039 0.000065 0.000235 -0.000090 31O 2px 0.000023 0.000170 -0.000018 -0.000025 -0.000571 0.000095 31O 2py 0.000019 0.000150 0.000060 -0.000088 -0.000186 0.000111 31O 3pz -0.000194 -0.000363 -0.000322 0.000544 0.000081 0.001844 31O 3px 0.000154 0.000539 0.000289 -0.000438 -0.000980 0.001629 31O 3py 0.000082 -0.000112 0.000377 -0.000600 0.000228 -0.002971 31O 1dz2 -0.000003 -0.000006 -0.000007 -0.000007 0.000017 -0.000014 31O 1dxz -0.000005 0.000007 -0.000003 0.000011 -0.000011 0.000005 31O 1dyz 0.000001 -0.000046 -0.000002 0.000003 0.000019 -0.000085 31O 1dx2y2 -0.000002 -0.000008 0.000011 0.000011 -0.000008 -0.000028 31O 1dxy 0.000006 -0.000025 -0.000002 -0.000021 0.000032 -0.000024 31O 2dz2 0.000017 0.000031 0.000016 0.000023 -0.000093 0.000053 31O 2dxz 0.000020 0.000027 0.000024 -0.000056 -0.000074 -0.000063 31O 2dyz -0.000003 0.000170 0.000004 -0.000047 -0.000157 0.000362 31O 2dx2y2 -0.000007 0.000011 -0.000034 -0.000050 0.000073 0.000168 31O 2dxy -0.000025 0.000033 -0.000016 0.000091 -0.000003 0.000140 31O 1f0 0.000002 -0.000017 -0.000003 -0.000005 -0.000008 -0.000016 31O 1f+1 -0.000001 0.000009 -0.000002 -0.000011 0.000001 0.000007 31O 1f-1 -0.000001 -0.000014 0.000000 -0.000001 -0.000002 -0.000015 31O 1f+2 -0.000006 -0.000028 -0.000003 -0.000006 0.000013 -0.000035 31O 1f-2 0.000001 -0.000032 -0.000001 0.000002 0.000024 -0.000011 31O 1f+3 -0.000003 0.000015 -0.000001 -0.000010 -0.000002 0.000013 31O 1f-3 -0.000006 -0.000010 0.000002 0.000008 0.000014 -0.000026 32O 1s -0.000001 -0.000000 0.000009 -0.000003 -0.000001 -0.000008 32O 2s 0.000004 0.000001 -0.000029 0.000009 0.000006 0.000050 32O 3s -0.000023 -0.000000 0.000169 -0.000051 -0.000036 -0.000428 32O 4s 0.000088 0.000012 -0.000621 0.000127 0.000431 0.001408 32O 5s -0.000277 -0.000126 0.001656 -0.000259 -0.001895 -0.003081 32O 1pz -0.000000 0.000000 -0.000009 0.000006 -0.000001 0.000025 32O 1px -0.000005 -0.000003 0.000023 -0.000016 0.000016 -0.000065 32O 1py -0.000007 -0.000002 -0.000008 0.000001 0.000037 0.000008 32O 2pz 0.000003 -0.000005 0.000020 -0.000016 -0.000114 -0.000127 32O 2px 0.000019 0.000019 -0.000051 0.000035 0.000244 0.000330 32O 2py 0.000028 0.000002 0.000039 -0.000000 -0.000274 -0.000046 32O 3pz -0.000040 -0.000013 -0.000199 0.000032 0.000159 0.000365 32O 3px -0.000017 -0.000021 0.000597 -0.000081 -0.000710 -0.001171 32O 3py -0.000237 -0.000103 0.000153 0.000027 -0.000690 -0.000367 32O 1dz2 0.000000 0.000000 -0.000013 0.000007 -0.000018 0.000006 32O 1dxz 0.000002 0.000001 -0.000014 0.000011 -0.000037 0.000005 32O 1dyz -0.000001 -0.000000 -0.000003 0.000002 -0.000008 0.000001 32O 1dx2y2 -0.000003 -0.000000 0.000015 -0.000016 0.000074 0.000002 32O 1dxy 0.000003 0.000002 0.000012 -0.000006 0.000023 -0.000004 32O 2dz2 0.000002 -0.000004 0.000024 -0.000019 -0.000025 -0.000040 32O 2dxz -0.000006 -0.000004 0.000019 -0.000028 0.000049 -0.000032 32O 2dyz 0.000004 0.000000 0.000006 -0.000007 0.000004 -0.000012 32O 2dx2y2 0.000009 0.000001 -0.000009 0.000043 -0.000193 0.000008 32O 2dxy -0.000009 0.000000 -0.000032 0.000018 -0.000002 0.000034 32O 1f0 -0.000001 -0.000002 -0.000003 0.000003 -0.000027 -0.000001 32O 1f+1 0.000001 0.000001 0.000004 -0.000002 0.000009 -0.000003 32O 1f-1 0.000001 -0.000001 0.000011 -0.000001 -0.000040 -0.000015 32O 1f+2 0.000001 0.000001 0.000010 -0.000006 0.000025 -0.000006 32O 1f-2 0.000001 -0.000001 0.000010 -0.000002 -0.000021 -0.000011 32O 1f+3 0.000003 0.000002 0.000013 -0.000009 0.000041 -0.000006 32O 1f-3 0.000001 -0.000000 0.000005 -0.000003 0.000010 -0.000002 33O 1s -0.000000 -0.000005 -0.000001 -0.000002 -0.000005 -0.000004 33O 2s 0.000002 0.000016 0.000003 0.000008 0.000031 0.000023 33O 3s -0.000016 -0.000108 -0.000019 -0.000093 -0.000336 -0.000307 33O 4s 0.000025 0.000163 0.000000 0.000369 0.000917 0.001900 33O 5s 0.000317 0.001022 -0.000350 0.000443 0.001955 -0.005572 33O 1pz 0.000001 0.000025 0.000007 -0.000008 0.000008 -0.000020 33O 1px 0.000001 0.000023 0.000000 -0.000009 0.000070 -0.000028 33O 1py -0.000005 0.000001 0.000004 -0.000009 0.000033 -0.000024 33O 2pz 0.000001 0.000118 -0.000071 0.000130 0.000302 -0.000012 33O 2px -0.000026 -0.000206 0.000008 -0.000075 -0.000623 0.000007 33O 2py 0.000021 0.000068 -0.000041 0.000052 -0.000055 -0.000009 33O 3pz 0.000208 0.000181 -0.000403 0.000612 -0.000155 0.002628 33O 3px -0.000146 -0.000490 0.000350 -0.000581 -0.000941 0.000927 33O 3py -0.000030 -0.000370 -0.000118 0.000178 -0.000452 0.002104 33O 1dz2 0.000002 -0.000030 -0.000006 -0.000011 0.000002 0.000040 33O 1dxz 0.000007 -0.000008 -0.000000 0.000019 -0.000021 -0.000004 33O 1dyz -0.000001 -0.000045 0.000001 0.000002 -0.000027 0.000083 33O 1dx2y2 -0.000001 -0.000002 0.000009 0.000000 -0.000005 -0.000003 33O 1dxy 0.000004 -0.000022 0.000009 0.000015 -0.000027 0.000018 33O 2dz2 -0.000015 0.000094 0.000019 0.000060 0.000008 -0.000191 33O 2dxz -0.000029 -0.000045 0.000023 -0.000108 -0.000091 -0.000053 33O 2dyz 0.000002 0.000145 0.000006 0.000016 0.000123 -0.000364 33O 2dx2y2 0.000015 0.000044 -0.000036 0.000013 0.000124 0.000075 33O 2dxy -0.000010 0.000063 -0.000014 -0.000064 0.000080 -0.000077 33O 1f0 -0.000003 -0.000016 -0.000001 -0.000004 -0.000010 0.000014 33O 1f+1 0.000004 -0.000018 -0.000002 -0.000013 -0.000011 0.000001 33O 1f-1 -0.000003 -0.000043 0.000003 0.000002 -0.000006 0.000043 33O 1f+2 0.000005 0.000023 0.000000 0.000004 0.000024 -0.000023 33O 1f-2 0.000004 -0.000013 0.000003 0.000001 -0.000009 -0.000004 33O 1f+3 0.000003 0.000001 0.000001 -0.000001 0.000010 -0.000001 33O 1f-3 0.000000 0.000002 -0.000003 -0.000013 0.000002 0.000010 34O 1s 0.000004 0.000000 0.000003 0.000001 -0.000000 -0.000006 34O 2s -0.000015 -0.000001 -0.000010 -0.000003 0.000000 0.000038 34O 3s 0.000100 0.000010 0.000102 0.000019 -0.000040 -0.000451 34O 4s -0.000149 -0.000010 -0.000388 -0.000003 0.000950 0.001842 34O 5s -0.001028 -0.000180 -0.000421 0.000328 -0.006166 -0.001637 34O 1pz -0.000033 -0.000002 0.000010 -0.000004 -0.000045 0.000013 34O 1px 0.000004 -0.000001 -0.000004 -0.000002 0.000049 -0.000033 34O 1py 0.000009 -0.000005 -0.000012 0.000007 0.000049 -0.000011 34O 2pz 0.000070 0.000021 -0.000039 0.000035 0.000096 -0.000098 34O 2px -0.000218 0.000005 -0.000133 0.000034 -0.000498 0.000533 34O 2py 0.000085 0.000011 0.000086 -0.000066 0.000021 -0.000003 34O 3pz 0.000014 -0.000078 -0.000001 0.000043 0.001732 0.000484 34O 3px -0.000514 -0.000178 -0.000807 0.000532 -0.000101 0.000916 34O 3py -0.000340 0.000017 0.000298 -0.000222 -0.002605 -0.001101 34O 1dz2 -0.000009 -0.000004 -0.000005 0.000003 -0.000031 -0.000016 34O 1dxz 0.000012 -0.000003 0.000010 0.000008 0.000008 0.000018 34O 1dyz -0.000051 0.000007 0.000009 0.000005 -0.000081 -0.000010 34O 1dx2y2 -0.000012 0.000003 0.000013 -0.000005 -0.000023 0.000004 34O 1dxy -0.000016 -0.000003 -0.000018 -0.000006 -0.000037 -0.000034 34O 2dz2 0.000070 0.000015 0.000047 -0.000017 0.000162 -0.000034 34O 2dxz -0.000031 0.000019 -0.000045 -0.000023 -0.000055 -0.000108 34O 2dyz 0.000151 -0.000020 -0.000022 -0.000001 0.000344 0.000064 34O 2dx2y2 -0.000021 -0.000017 -0.000072 0.000035 0.000056 0.000164 34O 2dxy 0.000070 0.000003 0.000101 0.000009 0.000209 0.000081 34O 1f0 -0.000020 -0.000003 0.000009 0.000004 -0.000019 0.000001 34O 1f+1 0.000009 0.000000 0.000007 0.000001 0.000009 -0.000012 34O 1f-1 -0.000017 0.000004 -0.000000 0.000001 -0.000001 0.000007 34O 1f+2 -0.000026 0.000004 -0.000001 0.000003 -0.000013 -0.000007 34O 1f-2 -0.000024 -0.000001 -0.000009 -0.000001 -0.000028 -0.000016 34O 1f+3 0.000028 0.000004 0.000004 0.000001 0.000038 0.000001 34O 1f-3 -0.000005 0.000004 -0.000012 -0.000000 -0.000009 0.000012 35O 1s -0.000005 -0.000001 0.000003 0.000001 -0.000001 -0.000006 35O 2s 0.000017 0.000002 -0.000011 -0.000003 0.000004 0.000039 35O 3s -0.000114 -0.000017 0.000105 0.000023 -0.000072 -0.000447 35O 4s 0.000191 0.000020 -0.000409 -0.000025 0.001065 0.001807 35O 5s 0.001092 0.000257 -0.000145 0.000274 -0.006497 -0.001963 35O 1pz 0.000033 0.000000 0.000013 -0.000008 -0.000053 0.000018 35O 1px -0.000004 0.000002 -0.000010 0.000002 0.000063 -0.000026 35O 1py -0.000005 -0.000003 0.000004 -0.000004 -0.000010 0.000000 35O 2pz -0.000012 -0.000021 -0.000066 0.000062 0.000020 -0.000075 35O 2px 0.000204 -0.000002 -0.000067 0.000002 -0.000522 0.000431 35O 2py 0.000146 0.000012 -0.000067 0.000037 -0.000176 0.000117 35O 3pz -0.000112 0.000079 -0.000295 0.000204 0.003030 0.001211 35O 3px 0.000698 0.000227 -0.000730 0.000477 -0.000366 0.000801 35O 3py -0.000111 0.000043 -0.000437 0.000302 0.001632 0.001003 35O 1dz2 -0.000029 0.000008 -0.000014 0.000001 0.000041 -0.000002 35O 1dxz -0.000006 -0.000000 0.000018 0.000008 0.000008 0.000029 35O 1dyz -0.000046 0.000002 -0.000004 -0.000002 0.000083 0.000020 35O 1dx2y2 -0.000007 -0.000000 -0.000000 -0.000009 0.000003 -0.000002 35O 1dxy -0.000011 -0.000004 0.000013 -0.000001 0.000029 0.000025 35O 2dz2 0.000045 -0.000029 0.000056 -0.000019 -0.000144 -0.000099 35O 2dxz 0.000031 -0.000012 -0.000086 -0.000015 -0.000071 -0.000097 35O 2dyz 0.000151 -0.000010 -0.000008 -0.000005 -0.000375 -0.000094 35O 2dx2y2 0.000066 0.000010 -0.000012 0.000033 -0.000034 0.000132 35O 2dxy 0.000082 0.000016 -0.000077 0.000014 -0.000181 0.000012 35O 1f0 -0.000016 0.000006 0.000006 0.000000 -0.000001 -0.000004 35O 1f+1 -0.000018 -0.000004 0.000008 0.000003 0.000029 0.000002 35O 1f-1 -0.000041 0.000001 -0.000005 -0.000004 0.000031 0.000002 35O 1f+2 0.000017 -0.000002 -0.000011 -0.000001 -0.000017 -0.000007 35O 1f-2 -0.000015 -0.000004 -0.000002 -0.000000 0.000023 0.000017 35O 1f+3 -0.000013 -0.000004 -0.000006 -0.000001 0.000013 -0.000005 35O 1f-3 -0.000007 -0.000002 0.000007 0.000002 0.000015 -0.000014 12 13 14 15 16 17 -19.08230 -19.08225 -19.06691 -19.06685 -19.06593 -19.06591 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s 0.000002 -0.000004 0.000001 -0.000003 0.000000 -0.000003 0Rh 2s 0.000021 -0.000047 0.000008 -0.000036 0.000003 -0.000037 0Rh 3s 0.000025 -0.000056 0.000009 -0.000044 0.000003 -0.000044 0Rh 4s -0.000088 0.000186 -0.000027 0.000143 -0.000008 0.000146 0Rh 5s 0.000201 -0.000344 0.000016 -0.000253 -0.000018 -0.000256 0Rh 6s -0.000415 0.000517 -0.000022 0.000356 0.000025 0.000362 0Rh 7s 0.001190 -0.002981 0.000195 -0.001307 0.000138 -0.001225 0Rh 8s -0.002077 -0.000730 -0.000059 -0.000245 -0.000280 -0.000323 0Rh 1pz 0.000003 -0.000001 0.000005 0.000001 0.000003 0.000000 0Rh 1px -0.000008 0.000002 -0.000001 -0.000001 0.000000 -0.000001 0Rh 1py -0.000000 0.000001 0.000003 0.000000 -0.000004 -0.000000 0Rh 2pz -0.000015 0.000003 -0.000025 -0.000003 -0.000016 -0.000002 0Rh 2px 0.000041 -0.000012 0.000005 0.000004 -0.000001 0.000004 0Rh 2py 0.000002 -0.000004 -0.000014 -0.000001 0.000022 0.000001 0Rh 3pz 0.000084 -0.000017 0.000143 0.000020 0.000093 0.000010 0Rh 3px -0.000231 0.000069 -0.000029 -0.000028 0.000007 -0.000024 0Rh 3py -0.000011 0.000022 0.000080 0.000003 -0.000129 -0.000007 0Rh 4pz -0.000198 0.000039 -0.000288 -0.000045 -0.000187 -0.000024 0Rh 4px 0.000542 -0.000164 0.000086 0.000074 0.000007 0.000066 0Rh 4py 0.000020 -0.000054 -0.000153 -0.000002 0.000254 0.000016 0Rh 5pz 0.000331 -0.000033 0.000203 0.000041 0.000139 0.000023 0Rh 5px -0.000900 0.000170 -0.000196 -0.000114 -0.000114 -0.000104 0Rh 5py -0.000023 0.000073 0.000065 -0.000015 -0.000147 -0.000006 0Rh 6pz -0.002737 -0.000987 -0.003381 -0.000340 -0.002167 -0.000098 0Rh 6px 0.007508 0.003138 0.001371 0.000591 0.000481 0.000368 0Rh 6py 0.000446 0.000510 -0.001668 0.000071 0.002822 0.000174 0Rh 1dz2 0.000002 0.000000 0.000001 -0.000002 -0.000000 0.000002 0Rh 1dxz 0.000002 0.000001 0.000001 0.000001 0.000001 0.000000 0Rh 1dyz 0.000001 0.000000 0.000003 -0.000005 -0.000001 0.000005 0Rh 1dx2y2 -0.000004 -0.000001 -0.000001 -0.000000 -0.000001 0.000002 0Rh 1dxy -0.000003 0.000000 0.000001 -0.000001 -0.000002 0.000001 0Rh 2dz2 -0.000010 -0.000002 -0.000001 0.000012 -0.000001 -0.000007 0Rh 2dxz -0.000012 -0.000004 -0.000006 -0.000003 -0.000005 -0.000001 0Rh 2dyz -0.000006 -0.000000 -0.000006 0.000022 0.000001 -0.000024 0Rh 2dx2y2 0.000020 0.000006 0.000001 0.000001 0.000003 -0.000007 0Rh 2dxy 0.000017 -0.000000 -0.000002 0.000006 0.000006 -0.000005 0Rh 3dz2 0.000030 0.000006 -0.000008 -0.000033 0.000005 0.000021 0Rh 3dxz 0.000036 0.000009 0.000012 0.000006 0.000009 0.000001 0Rh 3dyz 0.000017 -0.000000 -0.000001 -0.000063 0.000012 0.000066 0Rh 3dx2y2 -0.000059 -0.000016 0.000000 -0.000002 -0.000000 0.000020 0Rh 3dxy -0.000049 0.000002 0.000001 -0.000017 -0.000008 0.000015 0Rh 4dz2 -0.000066 -0.000011 0.000070 0.000072 -0.000030 -0.000050 0Rh 4dxz -0.000076 -0.000019 0.000008 0.000002 0.000015 0.000007 0Rh 4dyz -0.000037 0.000000 0.000098 0.000147 -0.000106 -0.000144 0Rh 4dx2y2 0.000125 0.000032 -0.000029 -0.000000 -0.000049 -0.000044 0Rh 4dxy 0.000105 -0.000005 0.000023 0.000046 -0.000042 -0.000046 0Rh 5dz2 0.000106 0.000081 -0.000039 -0.000226 0.000044 0.000163 0Rh 5dxz 0.000099 0.000114 -0.000046 -0.000183 -0.000023 -0.000157 0Rh 5dyz 0.000062 0.000017 -0.000053 -0.000511 0.000063 0.000435 0Rh 5dx2y2 -0.000168 -0.000181 0.000044 0.000085 0.000005 0.000176 0Rh 5dxy -0.000200 -0.000034 -0.000041 -0.000210 0.000070 0.000319 0Rh 1f0 0.000029 0.000005 -0.000002 -0.000003 -0.000009 0.000001 0Rh 1f+1 -0.000023 -0.000004 0.000008 -0.000011 -0.000001 -0.000002 0Rh 1f-1 -0.000008 -0.000001 0.000012 -0.000008 0.000001 -0.000001 0Rh 1f+2 -0.000043 -0.000008 -0.000008 0.000013 -0.000004 0.000007 0Rh 1f-2 -0.000014 -0.000003 0.000011 -0.000009 -0.000012 0.000016 0Rh 1f+3 -0.000048 -0.000009 0.000004 0.000001 0.000011 -0.000011 0Rh 1f-3 -0.000021 -0.000004 0.000000 -0.000002 0.000003 0.000005 1Rh 1s 0.000004 -0.000002 0.000003 -0.000001 0.000003 -0.000000 1Rh 2s 0.000045 -0.000024 0.000036 -0.000009 0.000036 -0.000006 1Rh 3s 0.000054 -0.000029 0.000043 -0.000010 0.000044 -0.000007 1Rh 4s -0.000179 0.000101 -0.000143 0.000030 -0.000144 0.000020 1Rh 5s 0.000328 -0.000226 0.000253 -0.000022 0.000257 -0.000004 1Rh 6s -0.000485 0.000453 -0.000357 0.000030 -0.000362 0.000005 1Rh 7s 0.002885 -0.001408 0.001304 -0.000224 0.001207 -0.000240 1Rh 8s 0.000881 0.002021 0.000246 0.000066 0.000340 0.000266 1Rh 1pz -0.000000 0.000003 0.000001 0.000005 0.000001 0.000003 1Rh 1px 0.000002 -0.000009 -0.000001 -0.000001 -0.000001 0.000000 1Rh 1py 0.000001 -0.000001 0.000000 0.000003 -0.000001 -0.000004 1Rh 2pz 0.000002 -0.000015 -0.000004 -0.000024 -0.000003 -0.000016 1Rh 2px -0.000009 0.000042 0.000005 0.000005 0.000004 -0.000002 1Rh 2py -0.000004 0.000003 -0.000001 -0.000014 0.000003 0.000022 1Rh 3pz -0.000011 0.000085 0.000022 0.000142 0.000017 0.000092 1Rh 3px 0.000052 -0.000235 -0.000028 -0.000029 -0.000023 0.000009 1Rh 3py 0.000021 -0.000013 0.000004 0.000080 -0.000017 -0.000128 1Rh 4pz 0.000024 -0.000200 -0.000050 -0.000287 -0.000039 -0.000185 1Rh 4px -0.000123 0.000552 0.000076 0.000084 0.000066 0.000002 1Rh 4py -0.000053 0.000024 -0.000005 -0.000154 0.000036 0.000252 1Rh 5pz -0.000009 0.000332 0.000045 0.000203 0.000034 0.000138 1Rh 5px 0.000104 -0.000910 -0.000117 -0.000194 -0.000112 -0.000106 1Rh 5py 0.000071 -0.000029 -0.000014 0.000066 -0.000018 -0.000146 1Rh 6pz -0.001181 -0.002660 -0.000405 -0.003378 -0.000263 -0.002155 1Rh 6px 0.003681 0.007257 0.000616 0.001360 0.000404 0.000456 1Rh 6py 0.000547 0.000420 0.000040 -0.001674 0.000393 0.002793 1Rh 1dz2 -0.000001 -0.000002 0.000002 -0.000001 -0.000002 0.000000 1Rh 1dxz -0.000001 -0.000002 -0.000001 -0.000001 -0.000000 -0.000001 1Rh 1dyz -0.000000 -0.000001 0.000005 -0.000003 -0.000005 0.000002 1Rh 1dx2y2 0.000002 0.000004 0.000000 0.000001 -0.000001 0.000001 1Rh 1dxy 0.000000 0.000003 0.000001 -0.000001 -0.000001 0.000002 1Rh 2dz2 0.000003 0.000010 -0.000012 0.000001 0.000008 -0.000000 1Rh 2dxz 0.000004 0.000012 0.000003 0.000006 0.000001 0.000005 1Rh 2dyz 0.000000 0.000006 -0.000022 0.000007 0.000023 -0.000003 1Rh 2dx2y2 -0.000008 -0.000020 -0.000001 -0.000001 0.000007 -0.000004 1Rh 2dxy -0.000001 -0.000017 -0.000006 0.000002 0.000004 -0.000007 1Rh 3dz2 -0.000008 -0.000030 0.000033 0.000007 -0.000022 -0.000003 1Rh 3dxz -0.000012 -0.000035 -0.000006 -0.000012 -0.000002 -0.000009 1Rh 3dyz -0.000001 -0.000018 0.000063 -0.000001 -0.000067 -0.000007 1Rh 3dx2y2 0.000020 0.000057 0.000002 -0.000001 -0.000020 0.000002 1Rh 3dxy 0.000002 0.000049 0.000017 -0.000001 -0.000014 0.000009 1Rh 4dz2 0.000016 0.000065 -0.000074 -0.000069 0.000052 0.000026 1Rh 4dxz 0.000024 0.000075 -0.000002 -0.000008 -0.000008 -0.000015 1Rh 4dyz 0.000002 0.000037 -0.000149 -0.000095 0.000152 0.000095 1Rh 4dx2y2 -0.000042 -0.000122 0.000001 0.000030 0.000047 0.000046 1Rh 4dxy -0.000003 -0.000106 -0.000046 -0.000022 0.000049 0.000038 1Rh 5dz2 -0.000087 -0.000099 0.000227 0.000036 -0.000167 -0.000031 1Rh 5dxz -0.000122 -0.000091 0.000184 0.000044 0.000158 0.000013 1Rh 5dyz -0.000020 -0.000061 0.000512 0.000043 -0.000439 -0.000030 1Rh 5dx2y2 0.000193 0.000153 -0.000085 -0.000044 -0.000175 0.000006 1Rh 5dxy 0.000049 0.000198 0.000211 0.000037 -0.000324 -0.000045 1Rh 1f0 0.000007 0.000029 -0.000003 -0.000002 0.000001 -0.000009 1Rh 1f+1 -0.000006 -0.000023 -0.000011 0.000008 -0.000002 -0.000000 1Rh 1f-1 -0.000002 -0.000008 -0.000008 0.000012 -0.000001 0.000001 1Rh 1f+2 -0.000011 -0.000042 0.000013 -0.000008 0.000007 -0.000004 1Rh 1f-2 -0.000004 -0.000013 -0.000009 0.000011 0.000015 -0.000014 1Rh 1f+3 -0.000013 -0.000048 0.000001 0.000004 -0.000010 0.000012 1Rh 1f-3 -0.000006 -0.000021 -0.000002 0.000000 0.000006 0.000002 2C 1s 0.000000 0.000000 -0.000013 0.000001 0.000000 -0.000001 2C 2s -0.000003 -0.000000 0.000064 -0.000004 -0.000002 0.000005 2C 3s 0.000178 -0.000127 -0.000302 0.000062 0.000026 -0.000078 2C 4s -0.000930 0.000774 -0.000926 -0.000261 -0.000230 0.000451 2C 5s 0.001813 -0.002208 0.005781 -0.003316 -0.000379 0.000149 2C 1pz 0.000010 -0.000010 -0.000116 0.000018 0.000000 -0.000008 2C 1px 0.000017 0.000003 -0.000071 0.000001 -0.000001 0.000001 2C 1py 0.000006 -0.000001 -0.000072 0.000011 0.000006 0.000007 2C 2pz -0.000412 0.000402 -0.000698 -0.000132 -0.000053 0.000181 2C 2px -0.000124 0.000185 0.000117 -0.000012 0.000008 0.000019 2C 2py -0.000230 0.000268 -0.000597 -0.000099 -0.000163 -0.000045 2C 3pz 0.000320 -0.000526 0.001503 -0.000718 -0.000115 -0.000073 2C 3px 0.000231 -0.000209 -0.000309 -0.000183 -0.000028 -0.000026 2C 3py 0.000238 -0.000318 0.000624 -0.000500 0.000128 0.000194 2C 1dz2 -0.000012 0.000007 -0.000041 0.000001 0.000005 0.000011 2C 1dxz 0.000001 0.000014 0.000018 -0.000003 -0.000003 0.000001 2C 1dyz -0.000015 0.000014 -0.000053 -0.000003 -0.000007 -0.000002 2C 1dx2y2 0.000006 -0.000008 -0.000005 0.000000 0.000011 -0.000003 2C 1dxy 0.000002 0.000007 -0.000018 -0.000002 0.000003 0.000006 2C 2dz2 -0.000105 0.000092 -0.000128 -0.000007 -0.000001 0.000025 2C 2dxz 0.000016 -0.000022 -0.000647 -0.000035 -0.000016 -0.000002 2C 2dyz -0.000149 0.000188 -0.000059 0.000013 -0.000027 -0.000001 2C 2dx2y2 0.000023 0.000015 0.000486 0.000027 0.000008 0.000004 2C 2dxy -0.000030 0.000028 -0.000026 0.000002 0.000009 0.000003 2C 1f0 -0.000017 0.000001 -0.000032 0.000000 0.000005 0.000011 2C 1f+1 -0.000001 0.000017 -0.000075 -0.000006 0.000004 0.000013 2C 1f-1 -0.000030 0.000018 -0.000020 0.000005 0.000001 0.000001 2C 1f+2 0.000023 -0.000015 0.000040 0.000001 0.000009 0.000001 2C 1f-2 0.000001 0.000015 -0.000004 -0.000007 0.000004 0.000005 2C 1f+3 0.000009 0.000006 -0.000001 0.000002 -0.000004 -0.000002 2C 1f-3 -0.000005 0.000008 -0.000045 -0.000002 -0.000009 -0.000000 3C 1s -0.000001 -0.000000 0.000000 -0.000001 -0.000013 0.000001 3C 2s 0.000002 0.000001 -0.000002 0.000005 0.000062 -0.000006 3C 3s 0.000115 -0.000160 0.000032 -0.000095 -0.000299 0.000070 3C 4s -0.000730 0.000848 -0.000250 0.000549 -0.000929 -0.000235 3C 5s 0.001870 -0.001925 -0.000617 -0.000129 0.005835 -0.003225 3C 1pz -0.000002 -0.000004 -0.000006 -0.000009 -0.000037 0.000012 3C 1px 0.000013 0.000000 0.000004 -0.000001 -0.000072 0.000006 3C 1py -0.000007 0.000016 -0.000007 -0.000001 0.000131 -0.000020 3C 2pz -0.000203 0.000164 0.000061 0.000214 -0.000670 -0.000083 3C 2px -0.000120 0.000216 -0.000064 0.000074 -0.000235 -0.000038 3C 2py 0.000423 -0.000425 0.000150 -0.000083 0.000557 0.000109 3C 3pz 0.000256 -0.000209 -0.000222 -0.000194 0.000790 -0.000413 3C 3px 0.000153 -0.000120 0.000035 -0.000005 -0.000218 -0.000305 3C 3py -0.000466 0.000470 -0.000010 -0.000111 -0.001462 0.000709 3C 1dz2 -0.000004 -0.000002 0.000007 0.000014 0.000031 -0.000000 3C 1dxz -0.000004 0.000011 0.000000 0.000002 0.000001 -0.000002 3C 1dyz 0.000014 -0.000009 0.000001 -0.000005 0.000065 -0.000000 3C 1dx2y2 0.000017 -0.000010 0.000006 -0.000005 0.000021 -0.000001 3C 1dxy 0.000000 -0.000013 0.000003 -0.000006 -0.000002 0.000004 3C 2dz2 0.000049 -0.000048 0.000027 0.000009 -0.000113 -0.000001 3C 2dxz -0.000053 0.000009 0.000006 0.000011 -0.000455 -0.000015 3C 2dyz 0.000139 -0.000175 0.000005 -0.000025 -0.000190 -0.000014 3C 2dx2y2 0.000065 -0.000033 0.000007 -0.000030 0.000385 0.000013 3C 2dxy 0.000065 -0.000078 0.000001 -0.000021 0.000480 0.000004 3C 1f0 0.000008 -0.000011 -0.000004 -0.000001 -0.000016 -0.000004 3C 1f+1 -0.000001 0.000004 0.000002 0.000007 -0.000027 -0.000003 3C 1f-1 0.000007 0.000001 -0.000008 -0.000006 -0.000007 -0.000006 3C 1f+2 0.000026 -0.000012 -0.000002 -0.000004 0.000004 -0.000002 3C 1f-2 0.000009 -0.000025 -0.000005 -0.000012 0.000037 0.000003 3C 1f+3 -0.000009 0.000023 -0.000006 0.000005 -0.000062 -0.000004 3C 1f-3 0.000016 0.000001 0.000015 0.000003 0.000073 -0.000005 4C 1s -0.000001 0.000001 -0.000034 -0.000000 -0.000001 0.000001 4C 2s 0.000007 -0.000006 0.000191 0.000001 0.000003 -0.000004 4C 3s -0.000288 0.000161 0.000051 0.000082 0.000137 -0.000156 4C 4s 0.001057 -0.000396 -0.003563 -0.000428 -0.000689 0.000834 4C 5s -0.000939 0.000914 0.000426 -0.000342 -0.001906 0.002207 4C 1pz 0.000002 -0.000038 0.000003 -0.000006 0.000009 -0.000035 4C 1px 0.000038 0.000035 -0.000274 0.000008 0.000038 0.000027 4C 1py 0.000016 -0.000005 -0.000107 -0.000001 0.000022 -0.000008 4C 2pz -0.000082 0.000633 -0.000906 -0.000120 -0.000097 0.000596 4C 2px -0.000585 -0.000509 -0.005938 0.000050 -0.000848 -0.000646 4C 2py -0.000269 0.000162 -0.002754 -0.000053 -0.000342 0.000151 4C 3pz 0.001002 -0.001473 0.004641 -0.003173 -0.001024 0.001611 4C 3px -0.000231 -0.000251 0.003448 0.000012 -0.000390 0.000192 4C 3py 0.000492 -0.001055 0.004184 -0.001916 -0.001160 0.000704 4C 1dz2 0.000002 0.000032 0.000174 -0.000007 -0.000016 -0.000019 4C 1dxz -0.000045 -0.000018 -0.000086 0.000007 -0.000026 -0.000040 4C 1dyz -0.000012 0.000029 -0.000101 0.000011 0.000019 0.000013 4C 1dx2y2 0.000023 -0.000013 -0.000248 0.000011 -0.000028 -0.000015 4C 1dxy -0.000014 -0.000025 -0.000303 0.000017 -0.000028 -0.000003 4C 2dz2 0.000105 -0.000160 0.002214 0.000114 0.000340 0.000140 4C 2dxz 0.000060 -0.000114 -0.000973 0.000105 -0.000005 -0.000292 4C 2dyz 0.000268 -0.000312 0.000513 -0.000024 -0.000104 -0.000031 4C 2dx2y2 -0.000000 0.000069 -0.001825 -0.000229 -0.000141 0.000352 4C 2dxy 0.000113 -0.000058 -0.002156 -0.000130 -0.000218 -0.000060 4C 1f0 -0.000006 0.000014 0.000039 0.000008 0.000013 -0.000016 4C 1f+1 -0.000043 0.000011 -0.000000 0.000027 0.000026 -0.000050 4C 1f-1 -0.000024 0.000025 0.000043 -0.000009 0.000019 0.000010 4C 1f+2 0.000029 -0.000018 0.000103 -0.000012 0.000005 0.000057 4C 1f-2 -0.000024 0.000000 -0.000200 -0.000003 -0.000002 -0.000001 4C 1f+3 -0.000011 0.000003 0.000087 -0.000000 -0.000001 0.000012 4C 1f-3 -0.000030 0.000015 0.000225 0.000025 0.000062 0.000000 5C 1s -0.000001 0.000001 -0.000001 0.000001 -0.000033 0.000001 5C 2s 0.000005 -0.000006 0.000003 -0.000004 0.000190 -0.000004 5C 3s -0.000174 0.000308 0.000172 -0.000132 0.000071 0.000079 5C 4s 0.000517 -0.001160 -0.000939 0.000709 -0.003680 -0.000321 5C 5s -0.000560 0.000839 -0.002049 0.002316 0.000369 -0.000430 5C 1pz 0.000002 -0.000018 -0.000002 -0.000029 0.000028 -0.000004 5C 1px 0.000049 0.000027 0.000046 0.000027 -0.000295 0.000012 5C 1py -0.000013 0.000022 -0.000014 0.000034 0.000032 0.000002 5C 2pz -0.000043 0.000258 0.000036 0.000495 0.000191 -0.000120 5C 2px -0.000727 -0.000322 -0.000997 -0.000661 -0.006424 0.000294 5C 2py 0.000266 -0.000317 0.000182 -0.000601 0.001634 0.000087 5C 3pz 0.000805 -0.000660 -0.000571 0.001141 0.002497 -0.001968 5C 3px 0.000466 -0.000678 -0.000837 0.000254 0.004576 -0.000578 5C 3py -0.001431 0.001101 0.001594 -0.001187 -0.004823 0.003062 5C 1dz2 0.000010 0.000019 -0.000020 -0.000021 0.000243 -0.000019 5C 1dxz -0.000025 0.000004 -0.000012 -0.000037 0.000023 0.000001 5C 1dyz 0.000004 -0.000019 0.000010 0.000003 0.000056 -0.000008 5C 1dx2y2 0.000003 -0.000043 -0.000041 -0.000025 -0.000313 0.000025 5C 1dxy 0.000047 0.000006 0.000023 0.000016 0.000192 -0.000022 5C 2dz2 -0.000062 0.000097 0.000381 0.000059 0.001495 0.000078 5C 2dxz 0.000072 0.000022 0.000082 -0.000181 0.000032 0.000132 5C 2dyz -0.000255 0.000299 -0.000090 -0.000231 -0.000986 0.000095 5C 2dx2y2 -0.000154 0.000089 -0.000270 0.000215 -0.003053 -0.000133 5C 2dxy -0.000171 0.000084 0.000140 0.000319 0.001382 -0.000081 5C 1f0 0.000006 0.000004 -0.000011 -0.000040 -0.000050 0.000018 5C 1f+1 -0.000011 0.000018 0.000035 -0.000021 0.000185 0.000013 5C 1f-1 -0.000002 -0.000007 -0.000024 -0.000023 -0.000093 0.000005 5C 1f+2 0.000008 -0.000031 0.000022 0.000020 0.000046 0.000009 5C 1f-2 0.000027 -0.000035 -0.000003 0.000048 0.000216 -0.000019 5C 1f+3 -0.000025 0.000026 0.000043 -0.000010 0.000066 0.000016 5C 1f-3 0.000011 -0.000051 -0.000051 0.000020 -0.000123 -0.000014 6C 1s -0.000001 0.000001 -0.000001 0.000001 0.000002 0.000033 6C 2s 0.000006 -0.000005 0.000004 -0.000004 -0.000011 -0.000189 6C 3s -0.000291 0.000196 0.000130 -0.000175 -0.000084 -0.000065 6C 4s 0.001093 -0.000602 -0.000699 0.000957 0.000605 0.003645 6C 5s -0.000802 0.000611 -0.002283 0.002086 0.000395 -0.000408 6C 1pz -0.000018 0.000003 -0.000029 -0.000001 -0.000002 0.000029 6C 1px 0.000031 0.000047 0.000028 0.000046 -0.000011 -0.000295 6C 1py 0.000021 -0.000014 0.000034 -0.000015 0.000005 0.000032 6C 2pz 0.000261 -0.000062 0.000498 0.000027 -0.000104 0.000201 6C 2px -0.000385 -0.000697 -0.000682 -0.000985 -0.000206 -0.006426 6C 2py -0.000305 0.000288 -0.000600 0.000193 0.000214 0.001624 6C 3pz -0.000579 0.000853 0.001132 -0.000595 -0.001766 0.002637 6C 3px -0.000639 0.000518 0.000237 -0.000841 -0.000220 0.004608 6C 3py 0.000964 -0.001511 -0.001159 0.001618 0.002674 -0.005045 6C 1dz2 -0.000020 -0.000008 0.000021 0.000020 0.000000 -0.000244 6C 1dxz -0.000002 0.000025 0.000037 0.000011 -0.000003 -0.000022 6C 1dyz 0.000019 -0.000006 -0.000004 -0.000010 0.000004 -0.000057 6C 1dx2y2 0.000043 -0.000006 0.000026 0.000041 -0.000001 0.000314 6C 1dxy -0.000010 -0.000046 -0.000016 -0.000022 0.000007 -0.000193 6C 2dz2 -0.000090 0.000070 -0.000066 -0.000380 -0.000193 -0.001485 6C 2dxz -0.000023 -0.000071 0.000181 -0.000086 -0.000134 -0.000025 6C 2dyz -0.000276 0.000276 0.000234 0.000085 -0.000018 0.000991 6C 2dx2y2 -0.000080 0.000159 -0.000210 0.000274 0.000369 0.003032 6C 2dxy -0.000076 0.000178 -0.000323 -0.000134 -0.000027 -0.001384 6C 1f0 0.000004 0.000006 -0.000040 -0.000010 0.000014 -0.000051 6C 1f+1 0.000017 -0.000012 -0.000020 0.000036 0.000028 0.000183 6C 1f-1 -0.000007 -0.000002 -0.000023 -0.000024 -0.000003 -0.000094 6C 1f+2 -0.000030 0.000010 0.000020 0.000021 0.000013 0.000045 6C 1f-2 -0.000032 0.000030 0.000048 -0.000004 -0.000002 0.000216 6C 1f+3 0.000024 -0.000027 -0.000010 0.000043 0.000021 0.000064 6C 1f-3 -0.000050 0.000015 0.000019 -0.000052 -0.000023 -0.000122 7C 1s -0.000001 0.000002 0.000001 0.000034 -0.000001 0.000001 7C 2s 0.000005 -0.000008 -0.000005 -0.000191 0.000004 -0.000003 7C 3s -0.000139 0.000294 -0.000082 -0.000051 0.000144 -0.000149 7C 4s 0.000314 -0.001054 0.000492 0.003560 -0.000774 0.000754 7C 5s -0.000839 0.001014 0.000326 -0.000445 -0.002068 0.002063 7C 1pz -0.000038 0.000005 -0.000006 0.000004 -0.000034 0.000012 7C 1px 0.000038 0.000036 0.000003 -0.000274 0.000030 0.000036 7C 1py -0.000004 0.000017 -0.000003 -0.000106 -0.000007 0.000022 7C 2pz 0.000624 -0.000131 -0.000136 -0.000902 0.000588 -0.000143 7C 2px -0.000552 -0.000562 -0.000065 -0.005935 -0.000710 -0.000795 7C 2py 0.000144 -0.000291 -0.000106 -0.002759 0.000126 -0.000353 7C 3pz -0.001408 0.001092 -0.003079 0.004688 0.001517 -0.001156 7C 3px -0.000263 -0.000222 0.000078 0.003441 0.000157 -0.000402 7C 3py -0.001028 0.000559 -0.001841 0.004217 0.000606 -0.001217 7C 1dz2 -0.000032 0.000000 0.000004 -0.000174 0.000020 0.000014 7C 1dxz 0.000021 0.000044 -0.000005 0.000086 0.000042 0.000022 7C 1dyz -0.000028 0.000014 -0.000009 0.000102 -0.000014 -0.000018 7C 1dx2y2 0.000012 -0.000023 -0.000007 0.000247 0.000017 0.000026 7C 1dxy 0.000026 0.000013 -0.000011 0.000304 0.000005 0.000027 7C 2dz2 0.000151 -0.000121 -0.000156 -0.002206 -0.000166 -0.000330 7C 2dxz 0.000109 -0.000068 -0.000086 0.000972 0.000290 -0.000018 7C 2dyz 0.000291 -0.000292 0.000013 -0.000517 0.000038 0.000100 7C 2dx2y2 -0.000070 0.000012 0.000264 0.001822 -0.000340 0.000169 7C 2dxy 0.000051 -0.000111 0.000171 0.002157 0.000077 0.000214 7C 1f0 0.000013 -0.000006 0.000008 0.000039 -0.000015 0.000014 7C 1f+1 0.000008 -0.000043 0.000027 0.000001 -0.000048 0.000030 7C 1f-1 0.000023 -0.000026 -0.000008 0.000043 0.000012 0.000018 7C 1f+2 -0.000016 0.000030 -0.000010 0.000104 0.000057 0.000000 7C 1f-2 -0.000001 -0.000024 -0.000006 -0.000200 -0.000001 -0.000002 7C 1f+3 0.000002 -0.000011 0.000002 0.000087 0.000012 -0.000002 7C 1f-3 0.000013 -0.000030 0.000029 0.000224 0.000005 0.000062 8C 1s 0.000000 0.000000 0.000001 -0.000000 -0.000000 0.000013 8C 2s -0.000001 -0.000002 -0.000005 0.000002 0.000001 -0.000063 8C 3s 0.000151 -0.000126 0.000095 -0.000033 -0.000046 0.000304 8C 4s -0.000792 0.000788 -0.000546 0.000258 0.000307 0.000906 8C 5s 0.001748 -0.002002 0.000143 0.000622 0.002763 -0.006053 8C 1pz -0.000005 -0.000002 -0.000009 -0.000006 0.000009 -0.000038 8C 1px 0.000001 0.000013 -0.000001 0.000004 -0.000000 -0.000073 8C 1py 0.000015 -0.000008 -0.000002 -0.000007 -0.000010 0.000132 8C 2pz 0.000150 -0.000215 0.000216 0.000056 -0.000134 -0.000661 8C 2px 0.000208 -0.000136 0.000071 -0.000065 -0.000055 -0.000221 8C 2py -0.000393 0.000452 -0.000079 0.000152 0.000152 0.000551 8C 3pz -0.000186 0.000271 -0.000199 -0.000217 -0.000349 0.000821 8C 3px -0.000107 0.000162 -0.000004 0.000034 -0.000320 -0.000190 8C 3py 0.000428 -0.000498 -0.000112 -0.000006 0.000594 -0.001509 8C 1dz2 0.000003 0.000003 -0.000014 -0.000007 -0.000002 -0.000031 8C 1dxz -0.000011 0.000005 -0.000002 -0.000000 0.000002 -0.000001 8C 1dyz 0.000008 -0.000015 0.000005 -0.000001 -0.000005 -0.000065 8C 1dx2y2 0.000009 -0.000017 0.000005 -0.000006 -0.000001 -0.000021 8C 1dxy 0.000013 -0.000001 0.000006 -0.000003 -0.000004 0.000002 8C 2dz2 0.000045 -0.000053 -0.000010 -0.000028 0.000010 0.000113 8C 2dxz -0.000005 0.000053 -0.000011 -0.000005 0.000051 0.000455 8C 2dyz 0.000165 -0.000151 0.000025 -0.000005 0.000029 0.000190 8C 2dx2y2 0.000029 -0.000068 0.000029 -0.000008 -0.000042 -0.000382 8C 2dxy 0.000073 -0.000071 0.000021 -0.000001 -0.000042 -0.000479 8C 1f0 -0.000010 0.000009 -0.000001 -0.000004 -0.000005 -0.000015 8C 1f+1 0.000004 -0.000001 0.000007 0.000002 -0.000005 -0.000027 8C 1f-1 0.000002 0.000007 -0.000006 -0.000008 -0.000006 -0.000007 8C 1f+2 -0.000010 0.000027 -0.000004 -0.000002 -0.000002 0.000004 8C 1f-2 -0.000024 0.000010 -0.000012 -0.000004 0.000006 0.000037 8C 1f+3 0.000023 -0.000010 0.000005 -0.000006 -0.000008 -0.000062 8C 1f-3 0.000002 0.000016 0.000004 0.000015 0.000001 0.000072 9C 1s -0.000000 -0.000000 -0.000001 0.000013 0.000001 -0.000000 9C 2s 0.000001 0.000003 0.000003 -0.000064 -0.000004 0.000002 9C 3s 0.000113 -0.000187 -0.000056 0.000304 0.000077 -0.000032 9C 4s -0.000701 0.000988 0.000280 0.000919 -0.000436 0.000263 9C 5s 0.002078 -0.001958 0.003210 -0.005814 -0.000092 0.000412 9C 1pz -0.000010 0.000011 0.000016 -0.000116 -0.000008 0.000001 9C 1px 0.000004 0.000017 -0.000001 -0.000072 0.000001 -0.000001 9C 1py -0.000001 0.000007 0.000010 -0.000074 0.000007 0.000005 9C 2pz 0.000367 -0.000441 -0.000146 -0.000706 0.000178 -0.000067 9C 2px 0.000176 -0.000139 -0.000010 0.000126 0.000021 0.000005 9C 2py 0.000252 -0.000256 -0.000110 -0.000583 -0.000058 -0.000160 9C 3pz -0.000501 0.000353 -0.000688 0.001504 -0.000087 -0.000112 9C 3px -0.000195 0.000247 -0.000187 -0.000308 -0.000030 -0.000024 9C 3py -0.000305 0.000262 -0.000491 0.000645 0.000201 0.000109 9C 1dz2 -0.000006 0.000012 0.000000 0.000040 -0.000011 -0.000004 9C 1dxz -0.000015 0.000000 0.000003 -0.000018 -0.000000 0.000003 9C 1dyz -0.000012 0.000016 0.000004 0.000054 0.000002 0.000007 9C 1dx2y2 0.000007 -0.000006 -0.000000 0.000005 0.000002 -0.000011 9C 1dxy -0.000007 -0.000002 0.000003 0.000017 -0.000006 -0.000002 9C 2dz2 -0.000084 0.000112 0.000009 0.000126 -0.000024 0.000002 9C 2dxz 0.000022 -0.000017 0.000047 0.000647 0.000003 0.000015 9C 2dyz -0.000177 0.000163 -0.000011 0.000058 0.000002 0.000027 9C 2dx2y2 -0.000017 -0.000023 -0.000037 -0.000489 -0.000004 -0.000007 9C 2dxy -0.000026 0.000031 -0.000002 0.000028 -0.000004 -0.000008 9C 1f0 0.000000 -0.000017 -0.000000 -0.000031 0.000011 0.000004 9C 1f+1 0.000017 -0.000002 -0.000008 -0.000074 0.000013 0.000003 9C 1f-1 0.000016 -0.000031 0.000005 -0.000020 0.000001 0.000001 9C 1f+2 -0.000013 0.000024 0.000002 0.000040 0.000001 0.000008 9C 1f-2 0.000015 -0.000000 -0.000007 -0.000005 0.000006 0.000004 9C 1f+3 0.000006 0.000009 0.000002 -0.000002 -0.000002 -0.000004 9C 1f-3 0.000007 -0.000006 -0.000003 -0.000045 -0.000001 -0.000009 10H 1s 0.000026 -0.000008 -0.000067 -0.000005 0.000015 -0.000008 10H 2s 0.000008 -0.000113 -0.000653 -0.000010 -0.000080 0.000017 10H 3s -0.000189 0.000243 -0.000085 0.000152 0.000078 0.000074 10H 1pz 0.000012 -0.000021 -0.000070 -0.000008 -0.000006 -0.000002 10H 1px -0.000019 0.000020 0.000090 -0.000003 0.000006 0.000008 10H 1py 0.000007 -0.000012 -0.000057 -0.000006 -0.000004 0.000001 11H 1s -0.000002 -0.000003 0.000035 -0.000001 0.000005 -0.000007 11H 2s -0.000047 0.000112 0.000397 0.000083 0.000006 0.000056 11H 3s -0.000083 -0.000009 -0.000381 0.000192 -0.000041 -0.000076 11H 1pz 0.000008 -0.000005 0.000053 0.000009 0.000013 0.000005 11H 1px -0.000002 0.000016 0.000081 0.000009 0.000005 0.000007 11H 1py 0.000008 -0.000013 0.000023 -0.000004 0.000001 0.000000 12H 1s 0.000000 -0.000014 -0.000005 -0.000002 -0.000003 -0.000010 12H 2s 0.000020 0.000111 0.000171 0.000060 -0.000064 -0.000036 12H 3s -0.000151 0.000028 -0.000465 0.000185 0.000056 0.000124 12H 1pz 0.000007 -0.000011 0.000027 -0.000000 -0.000003 -0.000006 12H 1px -0.000000 0.000012 0.000099 0.000007 -0.000007 -0.000008 12H 1py 0.000017 0.000001 0.000014 0.000006 -0.000013 -0.000024 13H 1s 0.000022 -0.000006 0.000014 -0.000006 -0.000060 -0.000003 13H 2s -0.000068 -0.000104 -0.000009 0.000035 -0.000561 -0.000001 13H 3s -0.000004 0.000197 -0.000006 0.000077 -0.000122 0.000145 13H 1pz 0.000006 -0.000023 0.000009 -0.000001 -0.000101 -0.000002 13H 1px 0.000003 0.000010 -0.000003 0.000004 0.000036 -0.000005 13H 1py -0.000002 0.000015 -0.000005 -0.000003 0.000029 0.000008 14H 1s -0.000002 -0.000015 0.000006 -0.000016 -0.000020 -0.000001 14H 2s 0.000057 0.000047 -0.000015 0.000092 0.000040 0.000046 14H 3s -0.000146 0.000096 0.000004 -0.000043 -0.000501 0.000172 14H 1pz 0.000017 -0.000013 0.000006 0.000006 -0.000054 0.000001 14H 1px 0.000012 -0.000000 0.000005 0.000009 0.000070 0.000005 14H 1py -0.000007 0.000003 -0.000002 -0.000002 -0.000039 0.000000 15H 1s -0.000005 -0.000001 -0.000005 -0.000008 0.000045 -0.000002 15H 2s -0.000038 0.000103 -0.000063 -0.000052 0.000422 0.000065 15H 3s -0.000044 0.000012 0.000135 0.000194 -0.000373 0.000181 15H 1pz 0.000011 -0.000017 0.000007 0.000007 -0.000016 -0.000006 15H 1px 0.000003 0.000005 -0.000002 -0.000007 0.000052 0.000001 15H 1py -0.000009 0.000003 0.000016 0.000026 -0.000073 -0.000008 16H 1s -0.000651 0.000031 -0.000018 -0.000005 0.000009 0.000005 16H 2s -0.000184 0.000030 0.000418 0.000062 -0.000094 -0.000019 16H 3s 0.001124 -0.000143 -0.000259 0.000025 -0.000034 0.000016 16H 1pz -0.000571 0.000016 0.000108 0.000008 -0.000042 -0.000002 16H 1px -0.000046 0.000007 0.000008 -0.000005 0.000007 0.000001 16H 1py -0.000301 0.000009 0.000038 0.000001 -0.000016 0.000001 17H 1s -0.000654 0.000030 0.000005 0.000003 -0.000001 0.000001 17H 2s -0.000228 0.000042 0.000120 -0.000013 -0.000146 -0.000020 17H 3s 0.001087 -0.000142 0.000020 0.000008 0.000046 0.000094 17H 1pz 0.000409 -0.000015 -0.000020 -0.000003 0.000036 0.000003 17H 1px 0.000322 -0.000006 -0.000024 0.000002 0.000008 -0.000003 17H 1py -0.000400 0.000013 -0.000006 -0.000006 -0.000010 -0.000001 18H 1s 0.000018 0.000654 -0.000003 -0.000004 -0.000001 0.000001 18H 2s -0.000024 0.000233 0.000011 -0.000130 0.000033 0.000133 18H 3s 0.000062 -0.001093 -0.000009 -0.000023 -0.000096 -0.000039 18H 1pz 0.000015 0.000419 -0.000003 -0.000022 0.000006 0.000035 18H 1px 0.000019 0.000324 0.000002 -0.000027 -0.000002 0.000006 18H 1py -0.000016 -0.000389 -0.000007 -0.000006 -0.000002 -0.000008 19H 1s 0.000017 0.000651 0.000005 0.000018 -0.000006 -0.000008 19H 2s -0.000016 0.000182 -0.000070 -0.000425 0.000028 0.000079 19H 3s 0.000060 -0.001135 -0.000021 0.000259 -0.000013 0.000031 19H 1pz -0.000026 -0.000563 0.000010 0.000109 -0.000006 -0.000037 19H 1px 0.000003 -0.000042 -0.000005 0.000007 0.000001 0.000005 19H 1py -0.000014 -0.000313 0.000002 0.000042 -0.000000 -0.000016 20H 1s 0.000001 0.000005 0.000008 0.000005 -0.000002 -0.000044 20H 2s -0.000099 0.000044 0.000054 0.000062 -0.000098 -0.000416 20H 3s -0.000006 0.000045 -0.000198 -0.000131 -0.000152 0.000386 20H 1pz -0.000016 0.000013 0.000007 0.000006 -0.000007 -0.000016 20H 1px 0.000005 0.000002 -0.000008 -0.000002 0.000005 0.000053 20H 1py 0.000003 -0.000009 0.000027 0.000015 -0.000014 -0.000072 21H 1s 0.000015 0.000001 0.000016 -0.000006 0.000002 0.000019 21H 2s -0.000052 -0.000052 -0.000091 0.000017 -0.000050 -0.000046 21H 3s -0.000081 0.000150 0.000043 -0.000005 -0.000134 0.000510 21H 1pz -0.000012 0.000018 0.000006 0.000006 -0.000003 -0.000052 21H 1px 0.000001 0.000011 0.000009 0.000005 0.000011 0.000071 21H 1py 0.000002 -0.000008 -0.000002 -0.000002 -0.000003 -0.000040 22H 1s 0.000004 -0.000023 0.000006 -0.000014 0.000008 0.000060 22H 2s 0.000109 0.000061 -0.000035 0.000012 0.000044 0.000567 22H 3s -0.000195 0.000018 -0.000078 0.000005 -0.000135 0.000129 22H 1pz -0.000023 0.000007 -0.000001 0.000009 -0.000010 -0.000101 22H 1px 0.000010 0.000002 0.000004 -0.000003 -0.000002 0.000038 22H 1py 0.000014 -0.000003 -0.000004 -0.000005 0.000010 0.000031 23H 1s 0.000013 -0.000001 0.000002 0.000003 0.000010 0.000002 23H 2s -0.000112 -0.000009 -0.000065 -0.000184 0.000042 0.000061 23H 3s -0.000015 0.000150 -0.000178 0.000462 -0.000133 -0.000051 23H 1pz -0.000011 0.000008 0.000000 0.000027 -0.000006 -0.000002 23H 1px 0.000012 -0.000001 0.000009 0.000099 -0.000008 -0.000006 23H 1py 0.000003 0.000016 0.000007 0.000018 -0.000026 -0.000012 24H 1s 0.000004 0.000002 0.000001 -0.000034 0.000007 -0.000006 24H 2s -0.000109 0.000053 -0.000090 -0.000392 -0.000058 -0.000001 24H 3s 0.000016 0.000082 -0.000186 0.000386 0.000077 0.000031 24H 1pz -0.000005 0.000009 0.000010 0.000051 0.000006 0.000012 24H 1px 0.000016 -0.000003 0.000010 0.000082 0.000008 0.000005 24H 1py -0.000012 0.000008 -0.000003 0.000025 0.000000 0.000001 25H 1s 0.000006 -0.000027 0.000007 0.000068 0.000007 -0.000016 25H 2s 0.000113 -0.000016 0.000022 0.000662 -0.000011 0.000079 25H 3s -0.000231 0.000207 -0.000151 0.000082 -0.000082 -0.000071 25H 1pz -0.000020 0.000013 -0.000009 -0.000073 -0.000002 -0.000005 25H 1px 0.000019 -0.000021 -0.000001 0.000091 0.000008 0.000006 25H 1py -0.000011 0.000008 -0.000007 -0.000055 0.000001 -0.000003 26O 1s 0.000002 -0.000006 -0.435625 0.004146 -0.000484 0.000100 26O 2s 0.000004 -0.000006 -0.639975 0.006098 -0.000725 0.000151 26O 3s -0.000005 -0.000021 -0.032480 0.000258 0.000017 -0.000017 26O 4s 0.000079 -0.000041 0.025051 -0.000166 -0.000050 0.000138 26O 5s -0.000326 0.000904 -0.011790 0.001559 0.002206 -0.000993 26O 1pz 0.000004 -0.000005 -0.000306 -0.000008 0.000018 0.000010 26O 1px -0.000003 0.000010 0.001605 -0.000007 0.000041 -0.000004 26O 1py -0.000000 0.000003 0.000411 -0.000007 0.000018 -0.000002 26O 2pz 0.000004 0.000010 0.000136 0.000003 -0.000126 -0.000045 26O 2px 0.000126 -0.000088 -0.004341 -0.000094 -0.000375 0.000017 26O 2py 0.000046 -0.000043 -0.001544 -0.000036 -0.000165 0.000026 26O 3pz -0.000500 0.000226 -0.001943 0.000569 0.000261 -0.000087 26O 3px -0.001159 -0.000457 -0.000205 -0.000278 -0.000781 0.000138 26O 3py -0.000661 0.000003 -0.001273 0.000250 -0.000478 0.000017 26O 1dz2 0.000002 -0.000001 0.000133 -0.000013 0.000001 -0.000002 26O 1dxz 0.000022 0.000006 -0.000056 0.000001 -0.000000 -0.000003 26O 1dyz 0.000003 -0.000006 0.000010 -0.000016 0.000003 0.000005 26O 1dx2y2 -0.000005 -0.000002 -0.000132 0.000005 -0.000016 -0.000007 26O 1dxy 0.000009 0.000000 -0.000155 0.000001 0.000004 -0.000001 26O 2dz2 0.000001 -0.000015 -0.000741 0.000038 -0.000051 0.000003 26O 2dxz -0.000072 -0.000024 0.000274 0.000007 0.000022 0.000015 26O 2dyz -0.000018 0.000021 -0.000007 0.000072 -0.000011 -0.000022 26O 2dx2y2 0.000002 0.000036 0.000771 -0.000009 0.000134 0.000033 26O 2dxy -0.000044 0.000025 0.000873 0.000016 0.000047 -0.000014 26O 1f0 0.000007 0.000002 0.000018 0.000002 0.000006 0.000007 26O 1f+1 -0.000004 0.000007 0.000096 0.000000 0.000010 0.000001 26O 1f-1 0.000003 0.000002 0.000043 0.000009 0.000001 -0.000006 26O 1f+2 -0.000006 -0.000001 -0.000020 -0.000005 -0.000002 -0.000002 26O 1f-2 -0.000008 -0.000003 -0.000021 0.000002 -0.000005 -0.000003 26O 1f+3 -0.000005 0.000002 0.000048 -0.000000 0.000004 0.000002 26O 1f-3 0.000003 0.000009 0.000132 -0.000001 0.000009 -0.000001 27O 1s -0.000008 -0.000003 0.000490 -0.000092 -0.435317 0.016895 27O 2s -0.000006 -0.000003 0.000706 -0.000131 -0.639523 0.024827 27O 3s -0.000053 -0.000020 0.000081 -0.000033 -0.032452 0.001211 27O 4s 0.000218 -0.000057 -0.000082 0.000153 0.025027 -0.000904 27O 5s -0.000127 0.001233 0.002626 -0.000837 -0.011577 0.001758 27O 1pz 0.000003 -0.000005 0.000011 0.000010 -0.000398 0.000008 27O 1px 0.000002 0.000013 0.000043 -0.000001 0.001645 -0.000058 27O 1py 0.000003 0.000005 -0.000015 -0.000003 0.000088 0.000007 27O 2pz -0.000017 0.000013 -0.000058 -0.000051 0.000623 -0.000009 27O 2px 0.000040 -0.000140 -0.000446 -0.000006 -0.004591 0.000054 27O 2py -0.000028 0.000008 0.000127 -0.000000 0.000431 -0.000008 27O 3pz -0.000019 0.000186 0.000478 -0.000084 -0.001165 0.000408 27O 3px -0.001100 -0.000557 -0.001023 0.000017 -0.000510 -0.000109 27O 3py 0.000590 -0.000079 0.000176 0.000107 0.001812 -0.000552 27O 1dz2 -0.000005 0.000003 0.000001 -0.000003 0.000107 -0.000003 27O 1dxz 0.000008 0.000003 -0.000002 -0.000002 0.000008 -0.000003 27O 1dyz 0.000001 0.000009 0.000003 0.000001 -0.000031 0.000017 27O 1dx2y2 -0.000004 -0.000001 -0.000014 -0.000009 -0.000199 0.000019 27O 1dxy -0.000014 -0.000000 -0.000008 0.000000 0.000094 0.000002 27O 2dz2 0.000014 -0.000040 -0.000059 0.000005 -0.000655 0.000006 27O 2dxz -0.000022 -0.000019 0.000007 0.000021 -0.000084 0.000018 27O 2dyz 0.000003 -0.000033 -0.000014 0.000003 0.000148 -0.000070 27O 2dx2y2 0.000021 0.000053 0.000159 0.000043 0.001133 -0.000068 27O 2dxy 0.000033 -0.000012 -0.000004 0.000013 -0.000507 -0.000018 27O 1f0 0.000004 -0.000001 0.000004 0.000009 -0.000019 -0.000004 27O 1f+1 0.000006 0.000009 0.000014 0.000004 0.000102 -0.000005 27O 1f-1 -0.000004 -0.000002 -0.000003 -0.000003 -0.000015 -0.000001 27O 1f+2 -0.000003 0.000002 0.000000 -0.000002 0.000024 -0.000008 27O 1f-2 0.000001 0.000001 -0.000001 0.000002 -0.000009 -0.000004 27O 1f+3 -0.000003 0.000011 0.000009 0.000001 0.000117 -0.000001 27O 1f-3 -0.000013 -0.000006 -0.000007 -0.000000 -0.000075 0.000001 28O 1s 0.000002 0.000006 -0.000143 -0.000125 0.000037 -0.000379 28O 2s 0.000003 0.000003 -0.000180 -0.000177 0.000053 -0.000543 28O 3s 0.000020 0.000053 -0.000109 -0.000070 0.000022 -0.000075 28O 4s 0.000058 -0.000221 -0.000206 0.000235 -0.000133 0.000076 28O 5s -0.001211 -0.000049 -0.002801 0.000600 0.000728 -0.002419 28O 1pz -0.000001 -0.000003 0.000018 -0.000006 -0.000005 -0.000032 28O 1px 0.000015 0.000001 0.000002 0.000004 -0.000003 0.000030 28O 1py 0.000005 0.000004 0.000009 -0.000001 -0.000010 -0.000016 28O 2pz 0.000058 -0.000007 0.000203 -0.000019 0.000019 0.000302 28O 2px -0.000115 0.000018 -0.000549 0.000039 -0.000005 -0.000313 28O 2py -0.000012 -0.000021 -0.000071 -0.000002 0.000055 0.000115 28O 3pz 0.000312 0.000897 -0.001085 -0.000790 0.000078 0.000534 28O 3px -0.000584 -0.000821 -0.001280 0.000457 0.000059 -0.000751 28O 3py -0.000014 0.000395 -0.001183 -0.000289 0.000071 -0.000311 28O 1dz2 0.000001 -0.000009 -0.000022 0.000001 -0.000007 -0.000012 28O 1dxz -0.000000 0.000004 0.000022 0.000009 -0.000008 -0.000004 28O 1dyz 0.000006 -0.000008 -0.000044 0.000003 0.000002 0.000002 28O 1dx2y2 0.000005 0.000009 -0.000017 -0.000005 -0.000001 0.000008 28O 1dxy 0.000005 0.000007 -0.000011 0.000002 -0.000002 -0.000003 28O 2dz2 -0.000004 0.000024 0.000147 -0.000001 0.000035 0.000051 28O 2dxz 0.000050 0.000005 0.000025 -0.000060 0.000029 0.000114 28O 2dyz -0.000024 0.000023 0.000196 -0.000010 -0.000005 -0.000025 28O 2dx2y2 -0.000053 -0.000035 -0.000068 0.000033 -0.000008 -0.000084 28O 2dxy -0.000018 -0.000010 0.000010 -0.000014 0.000027 0.000030 28O 1f0 -0.000005 0.000000 -0.000012 -0.000001 0.000000 -0.000003 28O 1f+1 -0.000008 -0.000011 -0.000007 0.000003 0.000000 -0.000006 28O 1f-1 0.000002 0.000005 -0.000057 0.000001 0.000006 0.000003 28O 1f+2 0.000011 0.000003 0.000003 -0.000002 0.000002 0.000011 28O 1f-2 -0.000002 -0.000009 0.000019 0.000003 -0.000004 -0.000004 28O 1f+3 0.000007 -0.000003 -0.000024 0.000001 -0.000000 0.000007 28O 1f-3 -0.000001 -0.000006 -0.000041 0.000000 -0.000008 -0.000006 29O 1s -0.435334 0.015974 -0.000002 0.000005 0.000006 0.000003 29O 2s -0.639704 0.023497 -0.000002 0.000010 0.000015 0.000005 29O 3s -0.031135 0.000969 -0.000001 -0.000014 -0.000068 -0.000004 29O 4s 0.020146 -0.000182 0.000174 0.000067 0.000318 0.000017 29O 5s -0.012446 -0.000663 -0.001147 -0.000201 -0.000612 -0.000046 29O 1pz 0.000323 -0.000022 -0.000013 0.000002 0.000004 -0.000001 29O 1px -0.000559 0.000045 -0.000013 -0.000002 -0.000024 -0.000005 29O 1py 0.001270 -0.000050 -0.000015 0.000000 -0.000000 0.000001 29O 2pz -0.000350 0.000052 0.000115 -0.000001 -0.000036 0.000002 29O 2px 0.000528 -0.000122 0.000001 0.000005 0.000078 0.000021 29O 2py -0.001716 0.000072 0.000088 -0.000002 -0.000012 -0.000004 29O 3pz -0.000394 -0.000161 0.000091 0.000053 0.000044 -0.000011 29O 3px 0.001649 0.000406 0.000383 0.000059 0.000342 -0.000029 29O 3py 0.001496 -0.000019 0.000287 0.000043 -0.000246 -0.000007 29O 1dz2 -0.000072 0.000005 -0.000008 -0.000002 -0.000008 -0.000000 29O 1dxz -0.000066 0.000004 0.000006 0.000002 -0.000001 0.000001 29O 1dyz -0.000017 0.000001 -0.000002 0.000000 0.000011 0.000002 29O 1dx2y2 0.000057 -0.000004 0.000009 0.000001 0.000017 0.000002 29O 1dxy 0.000083 -0.000006 0.000008 0.000002 -0.000008 -0.000002 29O 2dz2 0.000373 -0.000019 -0.000011 0.000004 0.000043 0.000001 29O 2dxz 0.000308 -0.000016 -0.000020 -0.000002 0.000012 -0.000002 29O 2dyz 0.000079 -0.000004 -0.000027 -0.000006 -0.000028 -0.000006 29O 2dx2y2 -0.000186 0.000011 -0.000023 -0.000005 -0.000063 -0.000006 29O 2dxy -0.000391 0.000023 -0.000021 -0.000008 0.000016 0.000005 29O 1f0 -0.000124 0.000003 0.000011 0.000001 -0.000004 -0.000000 29O 1f+1 0.000055 -0.000001 -0.000007 -0.000001 -0.000003 -0.000001 29O 1f-1 -0.000125 0.000006 0.000012 0.000001 -0.000002 -0.000000 29O 1f+2 0.000053 0.000001 -0.000002 0.000000 0.000004 0.000000 29O 1f-2 -0.000079 0.000005 -0.000003 -0.000001 -0.000001 0.000001 29O 1f+3 0.000037 0.000003 -0.000007 -0.000001 -0.000001 -0.000001 29O 1f-3 0.000047 -0.000000 -0.000000 -0.000001 0.000004 0.000001 30O 1s 0.000003 -0.000002 0.000052 -0.000262 -0.000399 -0.000329 30O 2s 0.000004 -0.000003 0.000073 -0.000372 -0.000555 -0.000477 30O 3s 0.000015 0.000001 0.000033 -0.000060 -0.000126 -0.000083 30O 4s 0.000069 -0.000074 -0.000167 0.000051 -0.000219 0.000249 30O 5s -0.001012 0.000651 0.000861 -0.002427 -0.002713 0.000776 30O 1pz -0.000002 -0.000001 0.000001 -0.000021 0.000007 -0.000003 30O 1px 0.000012 -0.000007 -0.000005 0.000023 0.000004 0.000002 30O 1py 0.000000 -0.000001 0.000009 0.000034 -0.000017 0.000006 30O 2pz 0.000029 -0.000086 -0.000017 0.000206 0.000217 -0.000034 30O 2px -0.000078 0.000133 0.000008 -0.000262 -0.000542 0.000061 30O 2py -0.000033 0.000089 -0.000047 -0.000294 -0.000133 0.000024 30O 3pz 0.000215 0.000795 0.000016 0.000673 -0.000619 -0.000532 30O 3px -0.000554 -0.000567 0.000111 -0.000863 -0.001540 0.000462 30O 3py -0.000102 -0.000822 -0.000069 -0.000194 0.001259 0.000680 30O 1dz2 -0.000006 -0.000011 -0.000007 -0.000014 0.000018 0.000001 30O 1dxz -0.000001 0.000001 -0.000005 -0.000003 0.000013 0.000006 30O 1dyz -0.000003 0.000014 0.000004 0.000004 0.000053 -0.000001 30O 1dx2y2 0.000003 0.000015 -0.000002 0.000007 0.000006 -0.000005 30O 1dxy -0.000005 -0.000011 0.000005 0.000007 -0.000001 -0.000008 30O 2dz2 0.000033 0.000028 0.000032 0.000082 -0.000017 -0.000008 30O 2dxz 0.000030 -0.000025 0.000010 0.000079 0.000051 -0.000046 30O 2dyz 0.000026 -0.000068 -0.000021 0.000026 -0.000193 -0.000011 30O 2dx2y2 -0.000028 -0.000041 0.000003 -0.000043 -0.000151 0.000026 30O 2dxy -0.000009 0.000055 -0.000035 -0.000104 -0.000072 0.000057 30O 1f0 -0.000007 0.000002 -0.000005 -0.000008 0.000041 -0.000002 30O 1f+1 -0.000001 -0.000002 0.000003 -0.000000 -0.000031 0.000001 30O 1f-1 -0.000001 -0.000005 -0.000001 -0.000003 0.000024 -0.000000 30O 1f+2 0.000001 -0.000007 -0.000006 -0.000001 0.000025 -0.000001 30O 1f-2 0.000009 0.000005 -0.000001 0.000010 -0.000015 -0.000004 30O 1f+3 -0.000002 -0.000008 -0.000006 -0.000005 -0.000035 0.000005 30O 1f-3 0.000006 -0.000004 0.000004 0.000011 0.000030 -0.000001 31O 1s 0.000001 -0.000003 0.000250 -0.000060 0.000348 0.000372 31O 2s 0.000003 -0.000004 0.000355 -0.000084 0.000503 0.000516 31O 3s -0.000004 -0.000014 0.000058 -0.000035 0.000092 0.000119 31O 4s 0.000075 -0.000076 -0.000046 0.000170 -0.000231 0.000237 31O 5s -0.000541 0.001059 0.002418 -0.000912 -0.000557 0.002762 31O 1pz -0.000001 -0.000002 -0.000021 0.000001 -0.000002 0.000007 31O 1px -0.000006 0.000013 0.000023 -0.000006 0.000002 0.000003 31O 1py -0.000001 0.000001 0.000034 0.000008 0.000004 -0.000017 31O 2pz -0.000081 0.000035 0.000206 -0.000021 -0.000017 0.000218 31O 2px 0.000123 -0.000087 -0.000262 0.000013 0.000018 -0.000544 31O 2py 0.000083 -0.000039 -0.000296 -0.000041 0.000013 -0.000135 31O 3pz 0.000820 0.000156 0.000676 0.000003 -0.000579 -0.000575 31O 3px -0.000620 -0.000511 -0.000865 0.000129 0.000339 -0.001570 31O 3py -0.000837 -0.000040 -0.000198 -0.000067 0.000777 0.001204 31O 1dz2 0.000012 0.000005 0.000014 0.000007 -0.000002 -0.000018 31O 1dxz -0.000001 0.000001 0.000003 0.000005 -0.000007 -0.000012 31O 1dyz -0.000014 0.000004 -0.000004 -0.000004 -0.000004 -0.000053 31O 1dx2y2 -0.000015 -0.000002 -0.000007 0.000002 0.000004 -0.000007 31O 1dxy 0.000011 0.000004 -0.000007 -0.000005 0.000008 -0.000000 31O 2dz2 -0.000031 -0.000031 -0.000082 -0.000031 0.000009 0.000017 31O 2dxz 0.000021 -0.000031 -0.000079 -0.000009 0.000042 -0.000054 31O 2dyz 0.000065 -0.000031 -0.000026 0.000022 0.000026 0.000191 31O 2dx2y2 0.000044 0.000025 0.000043 -0.000004 -0.000014 0.000153 31O 2dxy -0.000052 0.000013 0.000106 0.000033 -0.000051 0.000076 31O 1f0 0.000001 -0.000007 -0.000008 -0.000004 0.000002 0.000041 31O 1f+1 -0.000002 -0.000000 -0.000000 0.000003 -0.000001 -0.000031 31O 1f-1 -0.000005 -0.000001 -0.000003 -0.000001 0.000002 0.000024 31O 1f+2 -0.000007 0.000002 -0.000001 -0.000006 0.000001 0.000025 31O 1f-2 0.000006 0.000009 0.000010 -0.000001 -0.000005 -0.000015 31O 1f+3 -0.000008 -0.000002 -0.000005 -0.000006 0.000002 -0.000036 31O 1f-3 -0.000004 0.000006 0.000011 0.000004 0.000001 0.000030 32O 1s 0.015979 0.435334 -0.000005 0.000002 -0.000003 -0.000007 32O 2s 0.023457 0.639705 -0.000010 0.000002 -0.000006 -0.000015 32O 3s 0.001316 0.031124 0.000014 0.000000 0.000009 0.000067 32O 4s -0.001295 -0.020107 -0.000070 -0.000171 -0.000041 -0.000314 32O 5s 0.001573 0.012368 0.000223 0.001156 0.000090 0.000627 32O 1pz 0.000001 0.000292 0.000002 -0.000013 -0.000001 0.000004 32O 1px 0.000003 -0.000571 -0.000002 -0.000012 -0.000006 -0.000024 32O 1py 0.000043 0.001273 0.000000 -0.000016 0.000001 -0.000001 32O 2pz 0.000027 -0.000311 0.000001 0.000113 -0.000001 -0.000033 32O 2px -0.000083 0.000550 0.000005 -0.000003 0.000027 0.000075 32O 2py -0.000054 -0.001720 -0.000000 0.000093 -0.000004 -0.000008 32O 3pz -0.000188 -0.000402 0.000055 0.000089 -0.000008 0.000049 32O 3px 0.000526 0.001608 0.000066 0.000380 -0.000002 0.000343 32O 3py 0.000091 0.001498 0.000050 0.000292 -0.000029 -0.000236 32O 1dz2 0.000000 0.000073 0.000002 0.000008 0.000001 0.000008 32O 1dxz 0.000001 0.000067 -0.000002 -0.000006 -0.000001 0.000001 32O 1dyz 0.000000 0.000018 -0.000000 0.000002 -0.000003 -0.000011 32O 1dx2y2 -0.000000 -0.000056 -0.000001 -0.000008 -0.000003 -0.000017 32O 1dxy -0.000000 -0.000082 -0.000002 -0.000008 0.000003 0.000008 32O 2dz2 -0.000008 -0.000373 -0.000004 0.000011 -0.000004 -0.000040 32O 2dxz -0.000007 -0.000313 0.000002 0.000021 0.000001 -0.000011 32O 2dyz -0.000002 -0.000089 0.000007 0.000028 0.000009 0.000028 32O 2dx2y2 0.000002 0.000183 0.000005 0.000022 0.000011 0.000062 32O 2dxy 0.000006 0.000388 0.000008 0.000019 -0.000006 -0.000017 32O 1f0 -0.000006 -0.000116 0.000001 0.000010 -0.000001 -0.000004 32O 1f+1 0.000003 0.000061 -0.000001 -0.000007 -0.000001 -0.000002 32O 1f-1 -0.000003 -0.000130 0.000001 0.000013 -0.000000 -0.000002 32O 1f+2 0.000005 0.000059 0.000000 -0.000002 0.000001 0.000003 32O 1f-2 -0.000001 -0.000076 -0.000001 -0.000003 0.000001 -0.000001 32O 1f+3 0.000005 0.000034 -0.000001 -0.000008 -0.000001 -0.000001 32O 1f-3 0.000003 0.000046 -0.000001 -0.000000 0.000001 0.000004 33O 1s -0.000006 -0.000002 0.000119 0.000139 0.000345 -0.000063 33O 2s -0.000004 -0.000002 0.000168 0.000174 0.000494 -0.000089 33O 3s -0.000056 -0.000016 0.000071 0.000108 0.000071 -0.000027 33O 4s 0.000221 -0.000074 -0.000229 0.000208 -0.000064 0.000138 33O 5s 0.000129 0.001197 -0.000547 0.002807 0.002351 -0.000916 33O 1pz -0.000003 -0.000000 -0.000006 0.000018 -0.000032 -0.000002 33O 1px 0.000002 0.000015 0.000004 0.000002 0.000029 -0.000006 33O 1py 0.000004 0.000005 -0.000001 0.000009 -0.000017 -0.000008 33O 2pz -0.000003 0.000058 -0.000015 0.000203 0.000302 -0.000004 33O 2px 0.000009 -0.000116 0.000028 -0.000548 -0.000313 0.000019 33O 2py -0.000022 -0.000011 -0.000003 -0.000071 0.000119 0.000046 33O 3pz 0.000917 0.000244 -0.000807 -0.001070 0.000540 0.000034 33O 3px -0.000859 -0.000520 0.000430 -0.001287 -0.000745 0.000119 33O 3py 0.000395 -0.000042 -0.000312 -0.001176 -0.000304 0.000093 33O 1dz2 0.000009 -0.000002 -0.000001 0.000022 0.000013 0.000006 33O 1dxz -0.000004 0.000001 -0.000009 -0.000022 0.000005 0.000007 33O 1dyz 0.000008 -0.000006 -0.000002 0.000044 -0.000002 -0.000002 33O 1dx2y2 -0.000009 -0.000004 0.000005 0.000016 -0.000008 0.000001 33O 1dxy -0.000007 -0.000005 -0.000002 0.000011 0.000003 0.000002 33O 2dz2 -0.000023 0.000006 -0.000002 -0.000146 -0.000054 -0.000031 33O 2dxz -0.000009 -0.000050 0.000059 -0.000025 -0.000116 -0.000020 33O 2dyz -0.000022 0.000026 0.000006 -0.000197 0.000025 0.000003 33O 2dx2y2 0.000039 0.000051 -0.000031 0.000069 0.000085 0.000001 33O 2dxy 0.000011 0.000017 0.000014 -0.000010 -0.000033 -0.000024 33O 1f0 -0.000000 -0.000005 -0.000001 -0.000012 -0.000003 0.000000 33O 1f+1 -0.000011 -0.000007 0.000003 -0.000007 -0.000006 0.000001 33O 1f-1 0.000006 0.000002 0.000000 -0.000057 0.000004 0.000006 33O 1f+2 0.000004 0.000011 -0.000002 0.000003 0.000011 0.000001 33O 1f-2 -0.000009 -0.000001 0.000004 0.000019 -0.000004 -0.000003 33O 1f+3 -0.000002 0.000007 0.000001 -0.000024 0.000007 -0.000001 33O 1f-3 -0.000006 -0.000001 -0.000001 -0.000041 -0.000007 -0.000007 34O 1s 0.000004 0.000008 0.000077 -0.000514 0.016896 0.435317 34O 2s 0.000004 0.000006 0.000110 -0.000742 0.024816 0.639523 34O 3s 0.000024 0.000052 0.000032 -0.000083 0.001308 0.032448 34O 4s 0.000039 -0.000224 -0.000152 0.000085 -0.001039 -0.025019 34O 5s -0.001206 0.000233 0.000791 -0.002644 -0.000854 0.011676 34O 1pz -0.000004 0.000003 0.000010 0.000011 -0.000023 -0.000397 34O 1px 0.000014 0.000001 -0.000000 0.000043 0.000069 0.001645 34O 1py 0.000005 0.000003 -0.000004 -0.000015 0.000014 0.000087 34O 2pz 0.000012 -0.000018 -0.000052 -0.000058 0.000039 0.000623 34O 2px -0.000136 0.000052 -0.000014 -0.000446 -0.000302 -0.004582 34O 2py 0.000005 -0.000029 0.000002 0.000127 0.000026 0.000432 34O 3pz 0.000180 -0.000037 -0.000075 0.000482 0.000317 -0.001190 34O 3px -0.000634 -0.001054 -0.000001 -0.001023 -0.000149 -0.000497 34O 3py -0.000032 0.000596 0.000110 0.000174 -0.000410 0.001847 34O 1dz2 -0.000002 0.000006 0.000003 -0.000001 -0.000005 -0.000107 34O 1dxz -0.000003 -0.000008 0.000003 0.000002 0.000003 -0.000008 34O 1dyz -0.000009 -0.000000 -0.000001 -0.000003 -0.000014 0.000032 34O 1dx2y2 0.000001 0.000004 0.000010 0.000014 -0.000003 0.000200 34O 1dxy 0.000001 0.000014 0.000000 0.000008 -0.000009 -0.000094 34O 2dz2 0.000039 -0.000017 -0.000003 0.000059 0.000045 0.000653 34O 2dxz 0.000021 0.000020 -0.000021 -0.000006 -0.000012 0.000085 34O 2dyz 0.000033 -0.000005 -0.000003 0.000014 0.000059 -0.000153 34O 2dx2y2 -0.000054 -0.000016 -0.000046 -0.000158 -0.000020 -0.001134 34O 2dxy 0.000010 -0.000033 -0.000013 0.000005 0.000057 0.000505 34O 1f0 -0.000001 0.000004 0.000009 0.000003 -0.000005 -0.000018 34O 1f+1 0.000009 0.000005 0.000004 0.000013 0.000003 0.000102 34O 1f-1 -0.000002 -0.000004 -0.000003 -0.000003 -0.000003 -0.000015 34O 1f+2 0.000002 -0.000003 -0.000002 0.000001 -0.000006 0.000025 34O 1f-2 0.000001 0.000001 0.000002 -0.000001 -0.000005 -0.000009 34O 1f+3 0.000010 -0.000003 0.000001 0.000009 0.000008 0.000117 34O 1f-3 -0.000007 -0.000012 -0.000000 -0.000007 -0.000005 -0.000075 35O 1s 0.000005 -0.000002 0.004148 0.435625 -0.000067 0.000513 35O 2s 0.000006 -0.000004 0.006087 0.639975 -0.000100 0.000768 35O 3s 0.000021 0.000006 0.000360 0.032479 0.000015 -0.000016 35O 4s 0.000036 -0.000089 -0.000311 -0.025050 -0.000133 0.000058 35O 5s -0.000884 0.000354 -0.001334 0.011816 0.000815 -0.002277 35O 1pz -0.000005 0.000005 -0.000014 -0.000307 0.000012 0.000017 35O 1px 0.000010 -0.000003 0.000024 0.001605 -0.000001 0.000041 35O 1py 0.000003 0.000000 0.000001 0.000411 -0.000000 0.000018 35O 2pz 0.000010 0.000003 0.000005 0.000137 -0.000055 -0.000122 35O 2px -0.000079 0.000126 -0.000176 -0.004338 -0.000012 -0.000376 35O 2py -0.000040 0.000046 -0.000066 -0.001546 0.000013 -0.000167 35O 3pz 0.000193 -0.000518 0.000532 -0.001953 -0.000067 0.000267 35O 3px -0.000541 -0.001140 -0.000282 -0.000200 0.000076 -0.000791 35O 3py -0.000043 -0.000666 0.000226 -0.001279 -0.000020 -0.000479 35O 1dz2 0.000001 -0.000002 0.000010 -0.000133 0.000002 -0.000002 35O 1dxz -0.000007 -0.000021 0.000000 0.000056 0.000003 -0.000000 35O 1dyz 0.000005 -0.000004 0.000016 -0.000010 -0.000005 -0.000003 35O 1dx2y2 0.000003 0.000005 -0.000003 0.000132 0.000008 0.000015 35O 1dxy -0.000001 -0.000008 0.000002 0.000156 0.000001 -0.000004 35O 2dz2 0.000015 -0.000000 -0.000024 0.000742 0.000001 0.000051 35O 2dxz 0.000029 0.000069 -0.000012 -0.000273 -0.000017 -0.000021 35O 2dyz -0.000019 0.000020 -0.000071 0.000008 0.000023 0.000009 35O 2dx2y2 -0.000036 -0.000002 -0.000006 -0.000770 -0.000043 -0.000131 35O 2dxy -0.000022 0.000043 -0.000033 -0.000874 0.000010 -0.000048 35O 1f0 0.000002 0.000007 0.000002 0.000018 0.000008 0.000005 35O 1f+1 0.000006 -0.000004 0.000002 0.000096 0.000002 0.000010 35O 1f-1 0.000002 0.000003 0.000010 0.000042 -0.000005 0.000001 35O 1f+2 -0.000001 -0.000006 -0.000006 -0.000020 -0.000002 -0.000002 35O 1f-2 -0.000004 -0.000008 0.000002 -0.000021 -0.000003 -0.000005 35O 1f+3 0.000002 -0.000005 0.000001 0.000048 0.000003 0.000004 35O 1f-3 0.000010 0.000003 0.000002 0.000132 -0.000000 0.000010 18 19 20 21 22 23 -19.06514 -19.06512 -19.06467 -19.06458 -17.65747 -17.65743 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s 0.000003 0.000001 -0.000003 -0.000000 -0.000000 0.000002 0Rh 2s 0.000035 0.000011 -0.000037 -0.000006 -0.000000 -0.000008 0Rh 3s 0.000043 0.000012 -0.000044 -0.000007 -0.000000 0.000005 0Rh 4s -0.000140 -0.000038 0.000145 0.000019 0.000001 0.000012 0Rh 5s 0.000250 0.000037 -0.000256 -0.000004 -0.000002 -0.000002 0Rh 6s -0.000353 -0.000055 0.000362 0.000010 0.000004 0.000004 0Rh 7s 0.001272 0.000307 -0.001200 -0.000245 -0.000033 -0.000019 0Rh 8s 0.000218 0.000047 -0.000335 0.000148 -0.000008 0.000019 0Rh 1pz -0.000000 -0.000002 0.000000 0.000004 -0.001383 0.436561 0Rh 1px 0.000001 -0.000003 -0.000001 0.000002 -0.000437 0.139234 0Rh 1py -0.000000 0.000004 -0.000000 0.000003 0.000047 -0.021819 0Rh 2pz 0.000001 0.000010 -0.000000 -0.000020 0.003199 -1.010307 0Rh 2px -0.000006 0.000016 0.000004 -0.000010 0.001012 -0.322222 0Rh 2py 0.000002 -0.000021 0.000001 -0.000016 -0.000109 0.050495 0Rh 3pz -0.000004 -0.000060 0.000002 0.000114 0.000162 -0.047188 0Rh 3px 0.000034 -0.000095 -0.000025 0.000060 0.000051 -0.015047 0Rh 3py -0.000009 0.000119 -0.000008 0.000092 -0.000005 0.002358 0Rh 4pz 0.000017 0.000106 -0.000013 -0.000215 -0.000050 0.004282 0Rh 4px -0.000086 0.000211 0.000067 -0.000135 -0.000015 0.001361 0Rh 4py 0.000013 -0.000229 0.000016 -0.000182 -0.000000 -0.000214 0Rh 5pz -0.000052 -0.000004 0.000051 0.000082 0.000075 -0.002195 0Rh 5px 0.000113 -0.000250 -0.000094 0.000173 0.000023 -0.000692 0Rh 5py 0.000018 0.000108 -0.000003 0.000113 0.000001 0.000110 0Rh 6pz 0.000087 0.000895 0.000192 -0.002114 -0.000466 0.000813 0Rh 6px -0.000743 0.002762 0.000439 -0.001921 -0.000113 0.000212 0Rh 6py 0.000271 -0.002430 0.000203 -0.002008 -0.000002 -0.000051 0Rh 1dz2 -0.000002 -0.000000 -0.000002 -0.000002 -0.000000 -0.000103 0Rh 1dxz 0.000001 0.000000 -0.000001 -0.000001 0.000001 0.000166 0Rh 1dyz -0.000004 -0.000003 -0.000005 -0.000002 0.000000 0.000030 0Rh 1dx2y2 -0.000001 -0.000002 -0.000001 0.000001 0.000000 0.000060 0Rh 1dxy -0.000003 -0.000001 -0.000002 -0.000000 0.000000 -0.000001 0Rh 2dz2 0.000009 -0.000000 0.000008 0.000006 0.000004 -0.000038 0Rh 2dxz -0.000003 -0.000000 0.000004 0.000001 -0.000007 0.000063 0Rh 2dyz 0.000021 0.000007 0.000022 0.000005 -0.000001 0.000011 0Rh 2dx2y2 0.000004 0.000007 0.000002 -0.000006 -0.000003 0.000022 0Rh 2dxy 0.000013 0.000002 0.000012 -0.000001 -0.000000 -0.000001 0Rh 3dz2 -0.000024 0.000003 -0.000023 -0.000007 -0.000012 -0.000001 0Rh 3dxz 0.000009 -0.000004 -0.000011 0.000000 0.000019 0.000001 0Rh 3dyz -0.000059 -0.000003 -0.000064 0.000004 0.000004 -0.000000 0Rh 3dx2y2 -0.000012 -0.000010 -0.000007 0.000011 0.000007 -0.000001 0Rh 3dxy -0.000035 0.000004 -0.000032 0.000007 0.000001 0.000000 0Rh 4dz2 0.000051 -0.000021 0.000062 -0.000046 0.000025 -0.000005 0Rh 4dxz -0.000021 0.000036 0.000017 -0.000015 -0.000038 0.000008 0Rh 4dyz 0.000147 -0.000082 0.000151 -0.000102 -0.000008 0.000002 0Rh 4dx2y2 0.000044 -0.000039 0.000009 0.000003 -0.000016 0.000003 0Rh 4dxy 0.000074 -0.000052 0.000063 -0.000028 -0.000003 -0.000001 0Rh 5dz2 -0.000090 -0.000014 -0.000338 0.000039 -0.000038 -0.000016 0Rh 5dxz 0.000073 -0.000008 0.000002 -0.000051 0.000055 0.000025 0Rh 5dyz -0.000543 0.000034 -0.000542 0.000055 0.000012 0.000008 0Rh 5dx2y2 -0.000305 0.000036 0.000077 0.000023 0.000026 0.000011 0Rh 5dxy -0.000168 -0.000020 -0.000085 -0.000021 0.000005 0.000003 0Rh 1f0 0.000006 0.000008 0.000006 0.000007 0.000001 -0.000010 0Rh 1f+1 -0.000007 -0.000002 0.000007 -0.000003 0.000000 -0.000033 0Rh 1f-1 0.000005 0.000004 0.000015 0.000016 -0.000002 -0.000018 0Rh 1f+2 0.000008 0.000015 -0.000010 -0.000008 0.000001 0.000036 0Rh 1f-2 0.000005 0.000003 -0.000001 -0.000003 -0.000000 0.000012 0Rh 1f+3 -0.000011 -0.000004 0.000003 -0.000002 -0.000001 -0.000020 0Rh 1f-3 0.000011 0.000010 0.000010 0.000002 0.000000 -0.000001 1Rh 1s 0.000001 0.000003 -0.000000 -0.000003 0.000002 -0.000000 1Rh 2s 0.000008 0.000036 -0.000006 -0.000037 -0.000008 -0.000000 1Rh 3s 0.000008 0.000044 -0.000006 -0.000044 0.000005 -0.000000 1Rh 4s -0.000025 -0.000143 0.000017 0.000145 0.000012 0.000001 1Rh 5s 0.000015 0.000252 -0.000000 -0.000256 -0.000003 -0.000002 1Rh 6s -0.000024 -0.000356 0.000005 0.000362 0.000005 0.000004 1Rh 7s 0.000197 0.001295 -0.000225 -0.001203 -0.000019 -0.000031 1Rh 8s 0.000039 0.000224 0.000142 -0.000337 0.000022 -0.000009 1Rh 1pz 0.000002 0.000000 -0.000004 -0.000000 -0.438365 -0.001390 1Rh 1px 0.000003 -0.000001 -0.000002 0.000001 -0.135201 -0.000418 1Rh 1py -0.000004 0.000000 -0.000003 0.000000 -0.002112 -0.000054 1Rh 2pz -0.000010 -0.000001 0.000020 0.000000 1.014482 0.003217 1Rh 2px -0.000017 0.000004 0.000010 -0.000004 0.312887 0.000969 1Rh 2py 0.000021 -0.000000 0.000016 -0.000001 0.004887 0.000125 1Rh 3pz 0.000059 0.000009 -0.000114 -0.000004 0.047383 0.000138 1Rh 3px 0.000097 -0.000027 -0.000060 0.000025 0.014611 0.000041 1Rh 3py -0.000119 -0.000000 -0.000092 0.000007 0.000228 0.000006 1Rh 4pz -0.000105 -0.000026 0.000215 0.000017 -0.004299 0.000023 1Rh 4px -0.000217 0.000069 0.000136 -0.000065 -0.001321 0.000008 1Rh 4py 0.000229 0.000005 0.000182 -0.000014 -0.000021 -0.000002 1Rh 5pz 0.000001 0.000052 -0.000082 -0.000052 0.002204 -0.000060 1Rh 5px 0.000257 -0.000093 -0.000174 0.000092 0.000671 -0.000020 1Rh 5py -0.000105 -0.000026 -0.000113 0.000001 0.000010 0.000003 1Rh 6pz -0.000890 -0.000155 0.002122 -0.000168 -0.000821 0.000458 1Rh 6px -0.002806 0.000522 0.001927 -0.000412 -0.000200 0.000119 1Rh 6py 0.002430 -0.000078 0.002020 -0.000179 0.000005 -0.000021 1Rh 1dz2 -0.000000 -0.000002 -0.000002 -0.000002 -0.000102 -0.000001 1Rh 1dxz 0.000000 0.000001 -0.000001 -0.000001 0.000168 0.000002 1Rh 1dyz -0.000002 -0.000004 -0.000002 -0.000005 0.000027 0.000000 1Rh 1dx2y2 -0.000002 -0.000001 0.000001 -0.000001 0.000057 0.000001 1Rh 1dxy -0.000001 -0.000003 -0.000000 -0.000002 0.000009 0.000000 1Rh 2dz2 -0.000001 0.000009 0.000006 0.000008 -0.000037 0.000004 1Rh 2dxz -0.000000 -0.000003 0.000001 0.000004 0.000064 -0.000006 1Rh 2dyz 0.000005 0.000021 0.000004 0.000022 0.000010 -0.000001 1Rh 2dx2y2 0.000007 0.000004 -0.000006 0.000002 0.000021 -0.000003 1Rh 2dxy 0.000001 0.000013 -0.000001 0.000012 0.000003 -0.000000 1Rh 3dz2 0.000006 -0.000024 -0.000007 -0.000023 -0.000000 -0.000012 1Rh 3dxz -0.000005 0.000009 0.000000 -0.000011 0.000001 0.000018 1Rh 3dyz 0.000002 -0.000059 0.000005 -0.000064 -0.000001 0.000004 1Rh 3dx2y2 -0.000009 -0.000013 0.000011 -0.000006 -0.000001 0.000008 1Rh 3dxy 0.000007 -0.000035 0.000007 -0.000032 0.000000 0.000000 1Rh 4dz2 -0.000025 0.000049 -0.000046 0.000062 -0.000005 0.000025 1Rh 4dxz 0.000036 -0.000019 -0.000016 0.000017 0.000008 -0.000037 1Rh 4dyz -0.000093 0.000140 -0.000104 0.000150 0.000002 -0.000008 1Rh 4dx2y2 -0.000042 0.000041 0.000003 0.000009 0.000003 -0.000016 1Rh 4dxy -0.000058 0.000070 -0.000028 0.000063 -0.000000 -0.000001 1Rh 5dz2 -0.000006 -0.000090 0.000042 -0.000337 -0.000015 -0.000038 1Rh 5dxz -0.000012 0.000074 -0.000051 0.000001 0.000025 0.000055 1Rh 5dyz 0.000075 -0.000538 0.000062 -0.000542 0.000007 0.000013 1Rh 5dx2y2 0.000058 -0.000302 0.000023 0.000078 0.000010 0.000027 1Rh 5dxy -0.000007 -0.000170 -0.000020 -0.000085 0.000004 0.000002 1Rh 1f0 -0.000008 -0.000007 -0.000007 -0.000006 0.000011 -0.000001 1Rh 1f+1 0.000001 0.000007 0.000003 -0.000007 0.000033 -0.000000 1Rh 1f-1 -0.000004 -0.000005 -0.000015 -0.000015 0.000019 0.000002 1Rh 1f+2 -0.000014 -0.000009 0.000008 0.000010 -0.000037 -0.000002 1Rh 1f-2 -0.000003 -0.000005 0.000003 0.000001 -0.000011 -0.000000 1Rh 1f+3 0.000003 0.000011 0.000002 -0.000003 0.000019 0.000001 1Rh 1f-3 -0.000009 -0.000012 -0.000002 -0.000010 0.000003 -0.000000 2C 1s 0.000001 0.000001 0.000012 0.000001 0.000001 -0.000000 2C 2s -0.000005 -0.000003 -0.000057 -0.000007 -0.000003 0.000002 2C 3s 0.000093 0.000038 0.000236 0.000060 0.000006 0.000003 2C 4s -0.000533 -0.000283 0.001287 -0.000247 0.000029 -0.000043 2C 5s 0.000206 -0.000619 -0.007566 -0.002653 -0.000232 0.000416 2C 1pz -0.000002 0.000007 0.000121 0.000016 -0.000001 0.000001 2C 1px -0.000005 0.000007 0.000067 0.000006 -0.000002 0.000003 2C 1py 0.000008 -0.000003 0.000077 0.000012 0.000002 -0.000003 2C 2pz -0.000071 -0.000158 0.000894 -0.000170 0.000055 -0.000045 2C 2px 0.000045 -0.000099 -0.000608 -0.000021 0.000036 -0.000021 2C 2py -0.000213 0.000014 0.000485 -0.000118 0.000031 -0.000003 2C 3pz -0.000085 -0.000036 -0.001156 -0.000648 -0.000023 0.000087 2C 3px -0.000127 0.000146 -0.001406 -0.000021 -0.000084 -0.000037 2C 3py 0.000188 -0.000165 -0.001036 -0.000398 -0.000064 0.000038 2C 1dz2 0.000004 -0.000008 -0.000000 -0.000003 -0.000003 -0.000000 2C 1dxz -0.000003 -0.000005 0.000026 0.000002 0.000002 0.000003 2C 1dyz -0.000010 -0.000001 0.000060 -0.000004 0.000001 0.000001 2C 1dx2y2 0.000008 -0.000001 0.000034 0.000002 0.000001 0.000003 2C 1dxy 0.000010 -0.000002 0.000053 0.000001 0.000002 0.000003 2C 2dz2 -0.000010 -0.000032 0.000423 -0.000031 0.000032 -0.000014 2C 2dxz -0.000014 0.000004 0.000222 -0.000017 -0.000004 -0.000005 2C 2dyz -0.000029 -0.000007 0.000091 -0.000030 0.000026 -0.000027 2C 2dx2y2 0.000017 -0.000011 -0.000587 0.000018 0.000001 -0.000017 2C 2dxy 0.000010 -0.000015 -0.000265 0.000008 0.000003 -0.000017 2C 1f0 0.000007 -0.000013 0.000008 -0.000004 0.000003 0.000000 2C 1f+1 -0.000001 -0.000012 0.000105 -0.000004 -0.000002 -0.000001 2C 1f-1 -0.000004 -0.000001 0.000015 0.000003 0.000001 -0.000002 2C 1f+2 0.000013 -0.000003 -0.000034 0.000003 0.000000 -0.000001 2C 1f-2 -0.000008 0.000007 0.000040 0.000005 -0.000000 -0.000001 2C 1f+3 -0.000000 0.000002 0.000023 0.000000 0.000001 0.000001 2C 1f-3 -0.000007 -0.000002 0.000052 -0.000005 -0.000001 0.000002 3C 1s -0.000012 -0.000002 -0.000001 -0.000001 0.000000 -0.000000 3C 2s 0.000057 0.000009 0.000004 0.000003 -0.000001 0.000001 3C 3s -0.000240 -0.000069 -0.000064 -0.000045 0.000001 0.000009 3C 4s -0.001253 0.000203 0.000383 0.000329 0.000029 -0.000064 3C 5s 0.007341 0.003086 0.000234 0.000266 -0.000273 0.000366 3C 1pz -0.000043 -0.000011 0.000006 -0.000007 -0.000001 0.000002 3C 1px -0.000069 -0.000011 0.000005 -0.000001 0.000000 0.000002 3C 1py 0.000132 0.000021 0.000007 -0.000000 -0.000000 0.000001 3C 2pz -0.000826 0.000087 -0.000054 0.000177 0.000022 -0.000034 3C 2px 0.000280 0.000059 -0.000032 0.000067 0.000023 -0.000030 3C 2py 0.000721 -0.000137 -0.000159 -0.000072 -0.000051 0.000046 3C 3pz 0.000333 0.000433 0.000186 -0.000112 0.000019 0.000022 3C 3px 0.001506 0.000220 0.000096 -0.000056 -0.000043 0.000002 3C 3py -0.001325 -0.000707 0.000074 -0.000120 0.000075 -0.000072 3C 1dz2 0.000045 0.000002 -0.000009 0.000010 -0.000003 0.000001 3C 1dxz 0.000001 0.000001 0.000004 0.000009 -0.000001 0.000001 3C 1dyz 0.000047 -0.000003 -0.000001 -0.000004 0.000002 -0.000001 3C 1dx2y2 -0.000020 -0.000004 -0.000006 -0.000002 -0.000000 0.000003 3C 1dxy 0.000057 0.000003 0.000003 -0.000005 -0.000003 -0.000002 3C 2dz2 -0.000234 -0.000002 -0.000021 0.000015 0.000006 -0.000002 3C 2dxz -0.000331 0.000001 -0.000006 0.000009 0.000014 -0.000007 3C 2dyz 0.000044 -0.000012 0.000005 -0.000020 -0.000040 0.000039 3C 2dx2y2 0.000669 -0.000017 -0.000011 -0.000023 -0.000001 -0.000002 3C 2dxy 0.000043 -0.000018 0.000006 -0.000026 -0.000003 0.000017 3C 1f0 -0.000006 0.000004 0.000003 -0.000002 0.000000 0.000002 3C 1f+1 -0.000034 0.000001 -0.000001 0.000008 0.000001 -0.000001 3C 1f-1 -0.000020 -0.000001 0.000014 -0.000011 -0.000005 0.000002 3C 1f+2 -0.000021 0.000002 0.000001 -0.000001 -0.000001 -0.000000 3C 1f-2 0.000061 0.000001 -0.000003 -0.000005 0.000001 0.000002 3C 1f+3 -0.000097 -0.000003 0.000009 -0.000002 0.000001 0.000000 3C 1f-3 0.000046 -0.000005 -0.000009 -0.000002 0.000001 -0.000001 4C 1s -0.000001 -0.000001 0.000033 -0.000000 0.000001 -0.000001 4C 2s 0.000004 0.000004 -0.000190 0.000000 -0.000006 0.000005 4C 3s 0.000130 0.000182 -0.000098 0.000086 0.000163 -0.000157 4C 4s -0.000701 -0.000983 0.003750 -0.000393 -0.000705 0.000703 4C 5s -0.002140 -0.002269 0.000541 -0.000608 -0.000411 0.000349 4C 1pz 0.000038 0.000013 0.000167 -0.000002 0.000016 -0.000007 4C 1px -0.000034 0.000040 -0.000254 -0.000004 -0.000012 -0.000017 4C 1py 0.000012 0.000018 0.000009 -0.000004 0.000002 -0.000008 4C 2pz -0.000696 -0.000134 0.004501 -0.000100 -0.000185 0.000045 4C 2px 0.000750 -0.000852 -0.004921 -0.000116 0.000231 0.000276 4C 2py -0.000099 -0.000426 0.000847 -0.000100 -0.000002 0.000108 4C 3pz -0.001124 -0.001632 -0.006758 -0.002510 -0.000573 0.000566 4C 3px 0.000197 -0.000770 0.001781 -0.001106 -0.000081 0.000165 4C 3py -0.001007 -0.000955 -0.003517 -0.001929 -0.000302 0.000330 4C 1dz2 -0.000036 0.000047 0.000075 0.000008 0.000009 -0.000007 4C 1dxz 0.000009 -0.000005 -0.000343 -0.000018 0.000008 -0.000008 4C 1dyz 0.000012 -0.000019 0.000114 0.000012 0.000009 -0.000009 4C 1dx2y2 -0.000034 0.000005 0.000219 0.000007 -0.000015 0.000012 4C 1dxy 0.000016 -0.000011 -0.000021 -0.000003 -0.000002 0.000005 4C 2dz2 0.000106 0.000069 0.000345 0.000071 -0.000066 -0.000048 4C 2dxz 0.000455 -0.000069 -0.003492 0.000183 0.000118 0.000036 4C 2dyz -0.000076 0.000065 -0.000364 -0.000018 -0.000091 0.000084 4C 2dx2y2 -0.000097 -0.000370 0.001576 -0.000215 -0.000040 0.000085 4C 2dxy 0.000053 -0.000308 -0.001176 -0.000067 -0.000009 0.000096 4C 1f0 0.000023 0.000016 0.000010 0.000014 0.000010 -0.000002 4C 1f+1 0.000025 0.000046 -0.000123 0.000021 0.000014 -0.000015 4C 1f-1 -0.000012 0.000012 0.000175 -0.000011 -0.000010 -0.000003 4C 1f+2 -0.000040 -0.000024 0.000151 -0.000018 -0.000025 -0.000003 4C 1f-2 0.000033 -0.000030 -0.000168 -0.000006 0.000005 0.000009 4C 1f+3 -0.000037 0.000029 0.000119 -0.000009 -0.000016 -0.000014 4C 1f-3 0.000020 0.000046 0.000104 0.000020 -0.000003 -0.000026 5C 1s -0.000033 -0.000001 0.000001 0.000001 0.000001 -0.000001 5C 2s 0.000190 0.000006 -0.000004 -0.000004 -0.000004 0.000004 5C 3s 0.000077 -0.000079 -0.000161 -0.000147 0.000113 -0.000129 5C 4s -0.003616 0.000243 0.000855 0.000764 -0.000500 0.000591 5C 5s -0.000454 0.000508 0.002121 0.002070 -0.000236 0.000238 5C 1pz -0.000141 -0.000004 -0.000019 -0.000006 0.000010 -0.000003 5C 1px 0.000233 0.000017 0.000023 -0.000041 -0.000006 -0.000015 5C 1py 0.000127 0.000002 0.000029 0.000017 -0.000007 0.000004 5C 2pz -0.003344 -0.000049 0.000457 -0.000016 -0.000112 -0.000002 5C 2px 0.004402 0.000188 -0.000564 0.000868 0.000142 0.000237 5C 2py 0.003705 0.000013 -0.000469 -0.000272 0.000075 -0.000019 5C 3pz 0.004484 0.001656 0.000670 0.000949 -0.000329 0.000316 5C 3px -0.000576 0.001547 0.000245 0.000836 -0.000141 0.000186 5C 3py -0.006225 -0.002928 -0.001585 -0.001115 0.000347 -0.000358 5C 1dz2 0.000091 0.000007 0.000026 -0.000046 0.000002 -0.000001 5C 1dxz 0.000242 0.000018 0.000005 -0.000004 0.000004 -0.000008 5C 1dyz 0.000250 0.000027 -0.000028 0.000021 -0.000003 0.000003 5C 1dx2y2 -0.000062 -0.000002 0.000022 0.000002 -0.000012 0.000012 5C 1dxy -0.000228 -0.000015 0.000028 -0.000013 -0.000007 0.000004 5C 2dz2 -0.000076 -0.000099 -0.000201 -0.000046 0.000021 -0.000091 5C 2dxz 0.002343 -0.000092 -0.000350 -0.000018 0.000067 0.000021 5C 2dyz 0.001018 -0.000064 -0.000097 -0.000065 0.000090 -0.000048 5C 2dx2y2 -0.000480 0.000158 0.000007 0.000427 0.000020 0.000062 5C 2dxy -0.002992 0.000017 0.000227 -0.000119 -0.000018 -0.000059 5C 1f0 0.000196 -0.000016 -0.000029 -0.000007 0.000013 0.000002 5C 1f+1 -0.000082 -0.000018 0.000007 -0.000053 0.000001 -0.000017 5C 1f-1 0.000100 0.000002 0.000007 -0.000002 0.000006 0.000002 5C 1f+2 0.000046 -0.000002 -0.000006 0.000012 -0.000004 -0.000005 5C 1f-2 -0.000246 0.000007 0.000054 -0.000007 -0.000016 -0.000006 5C 1f+3 -0.000022 -0.000009 -0.000020 -0.000041 -0.000002 -0.000019 5C 1f-3 0.000032 0.000024 0.000044 0.000027 -0.000010 0.000009 6C 1s 0.000002 -0.000033 0.000001 0.000001 -0.000001 0.000001 6C 2s -0.000009 0.000190 -0.000004 -0.000004 0.000003 -0.000004 6C 3s -0.000086 0.000072 -0.000145 -0.000161 -0.000121 0.000121 6C 4s 0.000530 -0.003588 0.000753 0.000857 0.000556 -0.000532 6C 5s 0.000542 -0.000429 0.002046 0.002148 0.000218 -0.000257 6C 1pz -0.000008 0.000141 0.000006 0.000020 0.000003 -0.000010 6C 1px 0.000001 -0.000234 0.000042 -0.000022 0.000014 0.000007 6C 1py 0.000008 -0.000126 -0.000016 -0.000029 -0.000003 0.000008 6C 2pz -0.000216 0.003340 0.000024 -0.000455 -0.000000 0.000119 6C 2px 0.000162 -0.004398 -0.000877 0.000547 -0.000221 -0.000155 6C 2py 0.000280 -0.003696 0.000265 0.000471 0.000016 -0.000084 6C 3pz -0.001291 -0.004604 -0.000938 -0.000681 -0.000303 0.000340 6C 3px -0.001579 0.000457 -0.000834 -0.000258 -0.000173 0.000146 6C 3py 0.002416 0.006442 0.001093 0.001598 0.000328 -0.000373 6C 1dz2 -0.000000 0.000091 -0.000046 0.000026 -0.000001 0.000003 6C 1dxz -0.000001 0.000243 -0.000004 0.000005 -0.000007 0.000005 6C 1dyz 0.000007 0.000252 0.000022 -0.000027 0.000002 -0.000003 6C 1dx2y2 0.000003 -0.000062 0.000001 0.000022 0.000012 -0.000012 6C 1dxy 0.000003 -0.000229 -0.000013 0.000027 0.000003 -0.000007 6C 2dz2 -0.000092 -0.000084 -0.000044 -0.000202 -0.000087 0.000023 6C 2dxz -0.000276 0.002330 -0.000014 -0.000349 0.000021 0.000070 6C 2dyz -0.000144 0.001010 -0.000064 -0.000096 -0.000045 0.000097 6C 2dx2y2 0.000194 -0.000468 0.000426 0.000013 0.000057 0.000021 6C 2dxy 0.000253 -0.002983 -0.000123 0.000223 -0.000053 -0.000022 6C 1f0 0.000031 -0.000194 0.000006 0.000029 -0.000001 -0.000014 6C 1f+1 0.000011 0.000083 0.000053 -0.000006 0.000016 -0.000000 6C 1f-1 0.000006 -0.000100 0.000002 -0.000007 -0.000002 -0.000006 6C 1f+2 0.000006 -0.000045 -0.000012 0.000006 0.000004 0.000005 6C 1f-2 -0.000026 0.000245 0.000008 -0.000053 0.000006 0.000017 6C 1f+3 0.000007 0.000023 0.000041 0.000020 0.000018 0.000003 6C 1f-3 -0.000022 -0.000034 -0.000026 -0.000044 -0.000008 0.000010 7C 1s -0.000001 -0.000001 -0.000001 0.000033 -0.000001 0.000001 7C 2s 0.000003 0.000004 0.000003 -0.000190 0.000005 -0.000005 7C 3s 0.000172 0.000144 0.000087 -0.000097 -0.000165 0.000156 7C 4s -0.000924 -0.000782 -0.000442 0.003746 0.000738 -0.000672 7C 5s -0.002101 -0.002302 -0.000614 0.000543 0.000361 -0.000393 7C 1pz -0.000010 -0.000039 0.000005 -0.000167 0.000008 -0.000015 7C 1px -0.000043 0.000030 0.000001 0.000255 0.000018 0.000011 7C 1py -0.000017 -0.000014 0.000004 -0.000009 0.000008 -0.000002 7C 2pz 0.000079 0.000705 0.000158 -0.004495 -0.000046 0.000178 7C 2px 0.000909 -0.000683 0.000052 0.004923 -0.000285 -0.000224 7C 2py 0.000418 0.000133 0.000112 -0.000855 -0.000114 -0.000000 7C 3pz 0.001527 0.001255 0.002419 0.006800 -0.000590 0.000550 7C 3px 0.000780 -0.000131 0.001127 -0.001780 -0.000169 0.000079 7C 3py 0.000866 0.001084 0.001888 0.003553 -0.000353 0.000282 7C 1dz2 0.000050 -0.000032 0.000007 0.000074 -0.000008 0.000009 7C 1dxz -0.000005 0.000009 -0.000014 -0.000343 -0.000008 0.000008 7C 1dyz -0.000020 0.000010 0.000010 0.000114 -0.000009 0.000009 7C 1dx2y2 0.000008 -0.000033 0.000005 0.000219 0.000013 -0.000015 7C 1dxy -0.000013 0.000015 -0.000002 -0.000021 0.000005 -0.000001 7C 2dz2 0.000059 0.000112 0.000066 0.000345 -0.000048 -0.000063 7C 2dxz -0.000105 0.000451 0.000228 -0.003489 0.000036 0.000115 7C 2dyz 0.000069 -0.000070 -0.000012 -0.000364 0.000087 -0.000087 7C 2dx2y2 -0.000360 -0.000127 -0.000236 0.001580 0.000088 -0.000037 7C 2dxy -0.000311 0.000030 -0.000052 -0.001183 0.000101 -0.000010 7C 1f0 -0.000014 -0.000024 -0.000014 -0.000008 0.000002 -0.000009 7C 1f+1 -0.000044 -0.000029 -0.000022 0.000123 0.000016 -0.000013 7C 1f-1 -0.000013 0.000011 0.000014 -0.000176 0.000004 0.000009 7C 1f+2 0.000020 0.000042 0.000020 -0.000150 0.000003 0.000024 7C 1f-2 0.000033 -0.000031 0.000004 0.000169 -0.000009 -0.000004 7C 1f+3 -0.000032 0.000035 0.000011 -0.000118 0.000014 0.000016 7C 1f-3 -0.000044 -0.000023 -0.000019 -0.000104 0.000027 0.000003 8C 1s -0.000001 -0.000012 -0.000001 -0.000001 -0.000000 0.000000 8C 2s 0.000004 0.000058 0.000003 0.000004 0.000000 -0.000001 8C 3s -0.000049 -0.000243 -0.000044 -0.000066 0.000008 0.000001 8C 4s 0.000299 -0.001239 0.000322 0.000391 -0.000062 0.000028 8C 5s 0.002482 0.007582 0.000262 0.000233 0.000346 -0.000280 8C 1pz 0.000008 0.000044 0.000007 -0.000006 -0.000002 0.000001 8C 1px 0.000005 0.000071 0.000001 -0.000005 -0.000002 -0.000000 8C 1py -0.000011 -0.000133 0.000000 -0.000007 -0.000001 0.000000 8C 2pz -0.000151 0.000815 -0.000177 0.000051 0.000035 -0.000022 8C 2px -0.000036 -0.000291 -0.000068 0.000031 0.000030 -0.000025 8C 2py 0.000193 -0.000714 0.000070 0.000161 -0.000043 0.000053 8C 3pz -0.000403 -0.000368 0.000114 -0.000184 -0.000019 -0.000019 8C 3px -0.000099 -0.001525 0.000058 -0.000095 -0.000004 0.000048 8C 3py 0.000597 0.001377 0.000120 -0.000073 0.000068 -0.000076 8C 1dz2 -0.000001 0.000046 0.000010 -0.000009 0.000002 -0.000003 8C 1dxz 0.000000 0.000001 0.000009 0.000004 0.000001 -0.000001 8C 1dyz -0.000007 0.000047 -0.000004 -0.000001 -0.000001 0.000002 8C 1dx2y2 -0.000002 -0.000021 -0.000002 -0.000006 0.000003 0.000000 8C 1dxy -0.000002 0.000057 -0.000005 0.000003 -0.000002 -0.000003 8C 2dz2 0.000016 -0.000235 0.000016 -0.000021 -0.000003 0.000005 8C 2dxz 0.000027 -0.000332 0.000009 -0.000006 -0.000007 0.000014 8C 2dyz -0.000016 0.000042 -0.000021 0.000005 0.000038 -0.000041 8C 2dx2y2 -0.000069 0.000665 -0.000022 -0.000011 -0.000002 -0.000003 8C 2dxy -0.000022 0.000043 -0.000026 0.000005 0.000016 -0.000002 8C 1f0 -0.000004 0.000005 0.000002 -0.000003 -0.000002 -0.000000 8C 1f+1 -0.000004 0.000035 -0.000008 0.000001 0.000002 -0.000001 8C 1f-1 -0.000001 0.000020 0.000011 -0.000014 -0.000002 0.000005 8C 1f+2 -0.000004 0.000021 0.000001 -0.000001 0.000000 0.000001 8C 1f-2 0.000003 -0.000061 0.000005 0.000003 -0.000002 -0.000001 8C 1f+3 -0.000005 0.000097 0.000002 -0.000009 -0.000000 -0.000001 8C 1f-3 0.000009 -0.000044 0.000002 0.000009 0.000001 -0.000001 9C 1s 0.000000 0.000001 0.000001 0.000012 -0.000000 0.000001 9C 2s -0.000002 -0.000005 -0.000006 -0.000057 0.000002 -0.000003 9C 3s 0.000030 0.000096 0.000057 0.000236 0.000004 0.000006 9C 4s -0.000236 -0.000555 -0.000263 0.001289 -0.000046 0.000027 9C 5s -0.000617 0.000142 -0.002555 -0.007626 0.000442 -0.000218 9C 1pz -0.000007 0.000001 -0.000015 -0.000120 -0.000001 0.000001 9C 1px -0.000007 0.000004 -0.000005 -0.000067 -0.000003 0.000002 9C 1py 0.000004 -0.000008 -0.000011 -0.000079 0.000003 -0.000002 9C 2pz 0.000151 0.000084 0.000183 -0.000899 0.000047 -0.000052 9C 2px 0.000101 -0.000039 0.000013 0.000614 0.000023 -0.000034 9C 2py -0.000030 0.000211 0.000125 -0.000475 0.000006 -0.000030 9C 3pz 0.000025 0.000089 0.000631 0.001158 -0.000091 0.000018 9C 3px -0.000156 0.000116 0.000001 0.001408 0.000036 0.000080 9C 3py 0.000176 -0.000171 0.000387 0.001059 -0.000041 0.000065 9C 1dz2 -0.000009 0.000003 -0.000003 -0.000001 -0.000000 -0.000003 9C 1dxz -0.000005 -0.000003 0.000001 0.000026 0.000003 0.000002 9C 1dyz 0.000000 -0.000010 -0.000005 0.000060 0.000001 0.000001 9C 1dx2y2 -0.000001 0.000008 0.000002 0.000033 0.000003 0.000001 9C 1dxy -0.000003 0.000010 0.000001 0.000054 0.000003 0.000002 9C 2dz2 -0.000031 -0.000012 -0.000036 0.000420 -0.000014 0.000032 9C 2dxz 0.000006 -0.000012 -0.000019 0.000224 -0.000004 -0.000003 9C 2dyz -0.000005 -0.000030 -0.000031 0.000092 -0.000029 0.000024 9C 2dx2y2 -0.000012 0.000017 0.000026 -0.000588 -0.000016 0.000002 9C 2dxy -0.000016 0.000008 0.000011 -0.000268 -0.000018 0.000002 9C 1f0 0.000014 -0.000006 0.000004 -0.000007 -0.000000 -0.000003 9C 1f+1 0.000012 0.000002 0.000005 -0.000104 0.000001 0.000002 9C 1f-1 0.000000 0.000004 -0.000003 -0.000015 0.000002 -0.000001 9C 1f+2 0.000005 -0.000013 -0.000003 0.000035 0.000001 -0.000000 9C 1f-2 -0.000008 0.000007 -0.000004 -0.000041 0.000001 0.000000 9C 1f+3 -0.000002 -0.000000 0.000000 -0.000024 -0.000001 -0.000001 9C 1f-3 0.000001 0.000007 0.000005 -0.000053 -0.000002 0.000001 10H 1s 0.000006 0.000016 0.000068 0.000004 0.000001 -0.000003 10H 2s -0.000031 -0.000024 0.000614 -0.000029 -0.000020 0.000034 10H 3s -0.000078 -0.000012 0.000830 0.000082 0.000040 -0.000016 10H 1pz -0.000001 0.000003 0.000059 -0.000008 -0.000002 0.000004 10H 1px -0.000005 -0.000006 -0.000049 0.000003 0.000002 -0.000001 10H 1py -0.000001 0.000004 0.000062 -0.000007 -0.000002 0.000003 11H 1s 0.000009 -0.000005 -0.000035 0.000003 0.000007 -0.000004 11H 2s 0.000064 -0.000071 -0.000300 -0.000016 -0.000011 -0.000012 11H 3s -0.000214 0.000119 0.000456 0.000139 -0.000021 -0.000016 11H 1pz 0.000026 -0.000015 -0.000027 -0.000010 -0.000002 -0.000001 11H 1px 0.000017 -0.000010 -0.000087 -0.000001 0.000002 -0.000003 11H 1py -0.000004 0.000004 -0.000021 -0.000000 -0.000002 0.000001 12H 1s 0.000014 0.000007 -0.000004 0.000002 0.000007 -0.000001 12H 2s -0.000078 -0.000020 -0.000122 -0.000040 -0.000012 0.000005 12H 3s 0.000032 0.000005 0.000454 0.000132 -0.000040 -0.000048 12H 1pz -0.000002 0.000004 -0.000011 -0.000006 -0.000006 0.000001 12H 1px -0.000004 0.000001 -0.000090 -0.000002 0.000003 -0.000002 12H 1py -0.000008 0.000008 -0.000009 -0.000012 -0.000001 0.000004 13H 1s -0.000063 -0.000004 -0.000007 -0.000016 -0.000000 -0.000001 13H 2s -0.000533 0.000011 0.000008 0.000091 -0.000001 0.000017 13H 3s -0.000791 -0.000131 0.000068 -0.000057 0.000027 -0.000038 13H 1pz -0.000086 0.000007 -0.000006 0.000009 -0.000001 0.000001 13H 1px 0.000005 -0.000000 0.000007 -0.000004 -0.000002 0.000000 13H 1py 0.000025 -0.000006 0.000002 -0.000005 -0.000001 -0.000001 14H 1s -0.000008 -0.000001 -0.000010 0.000001 0.000002 -0.000000 14H 2s 0.000014 0.000035 -0.000040 0.000065 -0.000012 -0.000014 14H 3s -0.000411 -0.000151 0.000108 -0.000025 0.000024 -0.000022 14H 1pz -0.000050 0.000008 -0.000017 0.000007 -0.000000 -0.000000 14H 1px 0.000059 0.000009 -0.000019 0.000011 0.000001 -0.000004 14H 1py -0.000026 -0.000008 0.000006 -0.000004 0.000000 -0.000000 15H 1s 0.000042 -0.000002 -0.000003 -0.000007 0.000004 -0.000001 15H 2s 0.000334 0.000010 0.000045 -0.000013 0.000024 -0.000020 15H 3s -0.000446 -0.000164 -0.000089 0.000077 -0.000024 -0.000025 15H 1pz -0.000022 0.000001 -0.000002 0.000002 -0.000007 0.000004 15H 1px 0.000069 0.000001 0.000006 -0.000004 0.000001 -0.000002 15H 1py -0.000049 -0.000008 -0.000007 0.000016 -0.000003 0.000001 16H 1s -0.000002 0.000004 0.000000 -0.000001 -0.000001 0.000002 16H 2s -0.000008 0.000061 -0.000022 0.000209 0.000028 -0.000020 16H 3s -0.000004 -0.000006 0.000102 -0.000023 -0.000017 0.000004 16H 1pz -0.000004 0.000002 0.000001 0.000047 0.000003 0.000009 16H 1px -0.000004 -0.000000 -0.000006 0.000011 0.000003 -0.000010 16H 1py 0.000006 -0.000008 -0.000002 0.000013 0.000002 -0.000000 17H 1s 0.000006 -0.000014 0.000003 -0.000005 0.000001 -0.000002 17H 2s -0.000079 0.000292 -0.000003 0.000124 -0.000009 0.000007 17H 3s -0.000017 -0.000242 0.000019 0.000064 0.000013 -0.000007 17H 1pz 0.000008 -0.000059 0.000000 -0.000031 0.000001 0.000003 17H 1px 0.000010 -0.000029 0.000002 -0.000047 -0.000003 0.000014 17H 1py -0.000003 0.000036 0.000001 0.000025 -0.000002 -0.000001 18H 1s -0.000013 0.000004 -0.000005 0.000003 -0.000002 0.000001 18H 2s 0.000281 -0.000055 0.000134 -0.000000 0.000004 -0.000010 18H 3s -0.000238 -0.000036 0.000067 0.000021 -0.000007 0.000014 18H 1pz 0.000058 -0.000003 0.000033 0.000000 -0.000004 -0.000001 18H 1px 0.000026 -0.000008 0.000050 -0.000002 -0.000014 0.000003 18H 1py -0.000033 0.000000 -0.000025 -0.000001 0.000001 0.000002 19H 1s 0.000004 -0.000002 -0.000001 0.000000 0.000002 -0.000001 19H 2s 0.000047 -0.000005 0.000214 -0.000018 -0.000023 0.000027 19H 3s -0.000010 -0.000005 -0.000024 0.000103 0.000003 -0.000016 19H 1pz 0.000003 0.000004 -0.000048 -0.000002 -0.000008 -0.000003 19H 1px -0.000001 0.000004 -0.000011 0.000005 0.000010 -0.000002 19H 1py 0.000009 -0.000005 -0.000015 0.000002 0.000000 -0.000003 20H 1s -0.000006 0.000041 -0.000007 -0.000003 -0.000001 0.000004 20H 2s -0.000016 0.000332 -0.000014 0.000045 -0.000019 0.000023 20H 3s -0.000128 -0.000459 0.000077 -0.000087 -0.000025 -0.000026 20H 1pz -0.000003 0.000022 -0.000002 0.000002 -0.000004 0.000007 20H 1px 0.000004 -0.000070 0.000004 -0.000006 0.000002 -0.000001 20H 1py 0.000005 0.000049 -0.000016 0.000006 -0.000001 0.000002 21H 1s -0.000001 -0.000007 0.000001 -0.000009 -0.000000 0.000002 21H 2s 0.000033 0.000025 0.000066 -0.000039 -0.000014 -0.000013 21H 3s -0.000118 -0.000425 -0.000028 0.000108 -0.000019 0.000021 21H 1pz -0.000011 0.000048 -0.000007 0.000017 0.000000 0.000001 21H 1px -0.000004 -0.000061 -0.000011 0.000018 0.000004 -0.000001 21H 1py 0.000006 0.000026 0.000004 -0.000006 0.000000 -0.000001 22H 1s 0.000001 -0.000063 -0.000016 -0.000008 -0.000001 -0.000000 22H 2s 0.000055 -0.000536 0.000089 0.000009 0.000016 -0.000002 22H 3s -0.000068 -0.000803 -0.000056 0.000068 -0.000038 0.000029 22H 1pz -0.000014 0.000085 -0.000009 0.000005 -0.000001 0.000001 22H 1px 0.000001 -0.000006 0.000004 -0.000007 0.000000 0.000001 22H 1py 0.000008 -0.000026 0.000005 -0.000002 0.000001 0.000001 23H 1s 0.000006 0.000014 0.000002 -0.000006 -0.000001 0.000007 23H 2s -0.000014 -0.000077 -0.000037 -0.000133 0.000003 -0.000010 23H 3s 0.000003 0.000033 0.000126 0.000458 -0.000049 -0.000041 23H 1pz -0.000004 0.000001 0.000006 0.000011 -0.000001 0.000006 23H 1px -0.000001 0.000004 0.000001 0.000090 0.000002 -0.000003 23H 1py -0.000008 0.000007 0.000012 0.000012 -0.000003 0.000001 24H 1s -0.000006 0.000008 0.000004 -0.000034 -0.000004 0.000006 24H 2s -0.000077 0.000057 -0.000014 -0.000295 -0.000013 -0.000012 24H 3s 0.000133 -0.000200 0.000134 0.000461 -0.000019 -0.000019 24H 1pz 0.000017 -0.000025 0.000010 0.000025 0.000001 0.000003 24H 1px 0.000012 -0.000016 0.000000 0.000087 0.000004 -0.000002 24H 1py -0.000004 0.000003 -0.000000 0.000022 -0.000001 0.000002 25H 1s 0.000016 0.000007 0.000003 0.000068 -0.000003 0.000001 25H 2s -0.000023 -0.000032 -0.000038 0.000620 0.000035 -0.000019 25H 3s -0.000005 -0.000078 0.000071 0.000835 -0.000020 0.000039 25H 1pz -0.000003 0.000001 0.000009 -0.000062 -0.000004 0.000002 25H 1px 0.000005 0.000006 -0.000004 0.000050 0.000001 -0.000002 25H 1py -0.000003 0.000001 0.000007 -0.000060 -0.000003 0.000002 26O 1s -0.000044 -0.000250 -0.000136 0.000116 -0.000000 0.000000 26O 2s -0.000068 -0.000380 -0.000230 0.000178 0.000001 -0.000007 26O 3s 0.000025 0.000021 0.000092 -0.000053 -0.000006 0.000058 26O 4s -0.000157 -0.000032 0.000264 0.000209 -0.000004 -0.000076 26O 5s 0.000730 0.002561 0.002543 0.000655 0.000167 -0.000681 26O 1pz -0.000005 0.000009 -0.000017 -0.000002 0.000001 0.000011 26O 1px 0.000005 0.000036 -0.000007 -0.000006 0.000000 -0.000008 26O 1py -0.000009 0.000029 -0.000010 -0.000004 -0.000001 0.000014 26O 2pz 0.000007 -0.000075 0.000163 -0.000002 0.000002 0.000026 26O 2px -0.000006 -0.000370 -0.000562 -0.000039 -0.000002 0.000136 26O 2py 0.000057 -0.000245 -0.000127 -0.000012 0.000011 0.000030 26O 3pz 0.000136 -0.000075 0.001932 -0.000349 -0.000001 -0.000231 26O 3px 0.000015 -0.001183 -0.000703 -0.000709 -0.000108 0.000300 26O 3py 0.000077 -0.000100 0.000972 -0.000494 -0.000082 0.000111 26O 1dz2 -0.000009 0.000009 0.000005 0.000006 0.000001 0.000012 26O 1dxz -0.000003 0.000012 0.000013 0.000000 -0.000002 -0.000001 26O 1dyz 0.000000 0.000002 0.000045 0.000003 0.000002 0.000029 26O 1dx2y2 -0.000001 -0.000002 0.000015 -0.000006 -0.000002 -0.000004 26O 1dxy 0.000004 -0.000008 0.000036 -0.000004 -0.000001 0.000009 26O 2dz2 0.000041 -0.000102 -0.000105 -0.000037 -0.000007 -0.000019 26O 2dxz 0.000020 -0.000037 -0.000137 0.000006 -0.000001 -0.000004 26O 2dyz 0.000012 0.000002 -0.000213 -0.000009 -0.000007 -0.000097 26O 2dx2y2 0.000009 0.000068 0.000078 0.000039 0.000014 -0.000012 26O 2dxy -0.000030 0.000109 -0.000088 0.000036 0.000004 -0.000059 26O 1f0 0.000002 0.000001 0.000000 0.000002 -0.000002 0.000002 26O 1f+1 -0.000001 0.000007 0.000026 -0.000000 0.000002 -0.000007 26O 1f-1 0.000003 0.000002 0.000018 0.000004 -0.000000 -0.000023 26O 1f+2 0.000001 -0.000003 -0.000047 -0.000002 0.000002 0.000014 26O 1f-2 0.000003 -0.000003 0.000052 -0.000002 0.000003 -0.000007 26O 1f+3 0.000008 0.000000 -0.000013 -0.000001 0.000002 -0.000004 26O 1f-3 -0.000006 0.000016 -0.000025 0.000002 0.000000 -0.000007 27O 1s 0.000392 -0.000315 0.000049 0.000345 -0.000000 0.000000 27O 2s 0.000606 -0.000469 0.000074 0.000521 0.000000 -0.000006 27O 3s -0.000072 0.000030 -0.000011 -0.000024 -0.000004 0.000046 27O 4s -0.000270 -0.000197 0.000111 0.000055 -0.000004 -0.000066 27O 5s -0.002619 -0.000632 -0.000918 -0.002331 0.000134 -0.000520 27O 1pz 0.000006 0.000001 0.000002 0.000002 0.000002 -0.000001 27O 1px 0.000007 0.000009 -0.000005 -0.000042 0.000000 -0.000004 27O 1py -0.000019 -0.000002 -0.000010 0.000024 0.000001 -0.000017 27O 2pz -0.000150 -0.000010 0.000010 -0.000020 -0.000009 0.000024 27O 2px 0.000577 0.000043 0.000030 0.000396 -0.000003 0.000113 27O 2py 0.000091 -0.000006 0.000046 -0.000174 -0.000010 -0.000002 27O 3pz -0.001362 0.000125 -0.000072 0.000057 0.000048 -0.000235 27O 3px 0.000393 0.000733 0.000126 0.000959 -0.000087 0.000241 27O 3py 0.001728 -0.000336 0.000073 0.000175 0.000044 0.000009 27O 1dz2 0.000030 -0.000003 0.000007 -0.000006 -0.000000 -0.000009 27O 1dxz -0.000007 -0.000002 0.000005 -0.000014 -0.000001 -0.000001 27O 1dyz 0.000039 0.000005 -0.000006 0.000004 -0.000000 -0.000019 27O 1dx2y2 -0.000011 0.000007 0.000000 0.000005 -0.000003 -0.000010 27O 1dxy 0.000032 -0.000000 0.000001 -0.000000 0.000000 -0.000011 27O 2dz2 -0.000050 0.000023 -0.000012 0.000081 -0.000000 0.000045 27O 2dxz 0.000114 0.000011 -0.000036 0.000077 0.000001 0.000008 27O 2dyz -0.000158 -0.000021 0.000033 -0.000025 0.000000 0.000062 27O 2dx2y2 -0.000106 -0.000051 -0.000003 -0.000098 0.000015 0.000004 27O 2dxy -0.000176 0.000009 -0.000008 0.000042 0.000004 0.000049 27O 1f0 -0.000002 0.000001 0.000001 0.000000 -0.000001 0.000013 27O 1f+1 0.000021 0.000000 -0.000000 -0.000007 0.000001 -0.000001 27O 1f-1 -0.000013 0.000001 0.000003 0.000000 -0.000000 -0.000002 27O 1f+2 0.000025 0.000005 0.000005 -0.000004 0.000002 0.000010 27O 1f-2 0.000071 0.000002 -0.000001 -0.000000 -0.000001 0.000009 27O 1f+3 -0.000017 -0.000001 -0.000005 -0.000009 0.000002 -0.000012 27O 1f-3 -0.000003 0.000003 -0.000007 0.000011 0.000002 0.000009 28O 1s 0.000958 0.000204 0.435633 0.002821 -0.000000 0.000000 28O 2s 0.001394 0.000297 0.639989 0.004151 0.000008 -0.000000 28O 3s 0.000112 0.000037 0.032514 0.000158 -0.000058 0.000005 28O 4s -0.000095 -0.000137 -0.025257 -0.000082 0.000075 -0.000001 28O 5s 0.002459 0.000991 0.011739 0.001400 0.000666 -0.000190 28O 1pz 0.000038 -0.000005 -0.000708 -0.000012 -0.000007 -0.000002 28O 1px -0.000023 -0.000007 0.001539 -0.000002 -0.000007 -0.000001 28O 1py 0.000006 -0.000001 0.000162 -0.000008 -0.000017 0.000000 28O 2pz -0.000341 0.000014 0.002560 -0.000047 -0.000101 0.000007 28O 2px 0.000280 0.000046 -0.003993 0.000092 0.000098 -0.000003 28O 2py -0.000048 -0.000018 0.000022 0.000010 0.000011 -0.000007 28O 3pz -0.000305 0.000036 0.001809 0.000310 0.000030 0.000080 28O 3px 0.000998 0.000184 0.000497 0.000373 0.000389 -0.000113 28O 3py -0.000168 0.000065 0.001331 0.000326 0.000034 0.000045 28O 1dz2 -0.000003 0.000006 0.000024 -0.000008 -0.000010 0.000001 28O 1dxz 0.000006 -0.000002 -0.000217 -0.000008 -0.000003 -0.000003 28O 1dyz 0.000009 -0.000006 -0.000000 -0.000016 -0.000031 -0.000002 28O 1dx2y2 -0.000010 0.000006 0.000115 0.000005 0.000002 0.000002 28O 1dxy -0.000009 -0.000000 -0.000051 -0.000006 -0.000008 -0.000001 28O 2dz2 0.000031 -0.000022 -0.000119 0.000040 0.000036 -0.000001 28O 2dxz -0.000118 0.000010 0.001229 0.000009 -0.000025 0.000013 28O 2dyz -0.000034 0.000039 -0.000027 0.000071 0.000105 0.000010 28O 2dx2y2 0.000100 -0.000011 -0.000690 -0.000011 0.000018 -0.000012 28O 2dxy 0.000028 -0.000011 0.000251 0.000018 0.000022 -0.000000 28O 1f0 0.000007 0.000000 -0.000060 -0.000000 0.000003 -0.000003 28O 1f+1 0.000012 -0.000009 -0.000074 0.000001 0.000004 0.000002 28O 1f-1 -0.000003 0.000003 0.000004 0.000009 0.000022 -0.000001 28O 1f+2 -0.000010 -0.000003 0.000128 -0.000003 -0.000019 0.000001 28O 1f-2 0.000000 0.000004 -0.000018 0.000003 0.000008 0.000002 28O 1f+3 -0.000004 0.000000 0.000067 0.000003 0.000002 0.000002 28O 1f-3 0.000001 0.000001 -0.000021 0.000000 0.000004 0.000001 29O 1s -0.000003 -0.000002 0.000002 -0.000005 -0.000000 0.000000 29O 2s -0.000006 -0.000001 0.000004 -0.000013 0.000000 -0.000000 29O 3s 0.000008 -0.000021 -0.000003 0.000076 -0.000001 0.000003 29O 4s -0.000054 0.000226 0.000015 -0.000332 0.000004 -0.000011 29O 5s 0.000223 -0.001016 -0.000055 0.000513 -0.000025 0.000038 29O 1pz 0.000000 0.000012 0.000004 -0.000011 0.000001 -0.000005 29O 1px 0.000003 -0.000005 -0.000004 0.000020 0.000001 -0.000002 29O 1py -0.000000 -0.000015 0.000001 0.000000 -0.000000 0.000000 29O 2pz 0.000002 -0.000061 -0.000012 0.000023 -0.000001 0.000030 29O 2px -0.000003 -0.000041 0.000019 -0.000084 -0.000004 0.000012 29O 2py -0.000000 0.000067 -0.000004 0.000027 0.000002 -0.000003 29O 3pz 0.000064 -0.000223 -0.000007 0.000342 0.000044 -0.000102 29O 3px -0.000011 0.000275 -0.000036 -0.000224 0.000021 -0.000043 29O 3py -0.000092 0.000298 -0.000003 0.000215 0.000005 0.000000 29O 1dz2 -0.000001 0.000002 0.000002 0.000000 -0.000000 0.000000 29O 1dxz 0.000002 -0.000010 -0.000003 0.000021 0.000001 -0.000001 29O 1dyz 0.000002 -0.000006 -0.000002 0.000005 0.000001 -0.000002 29O 1dx2y2 0.000001 0.000003 -0.000001 -0.000008 0.000000 -0.000000 29O 1dxy -0.000004 0.000013 -0.000003 0.000009 0.000000 -0.000000 29O 2dz2 0.000002 -0.000003 -0.000004 -0.000018 -0.000001 -0.000004 29O 2dxz -0.000004 0.000017 0.000011 -0.000086 -0.000001 0.000008 29O 2dyz -0.000010 0.000042 0.000005 -0.000014 -0.000004 0.000000 29O 2dx2y2 -0.000000 -0.000015 0.000000 0.000035 -0.000000 0.000002 29O 2dxy 0.000008 -0.000024 0.000010 -0.000011 -0.000001 -0.000002 29O 1f0 -0.000000 0.000004 0.000001 0.000004 0.000001 -0.000001 29O 1f+1 0.000000 0.000001 0.000002 -0.000007 -0.000000 0.000001 29O 1f-1 -0.000001 -0.000000 0.000001 0.000006 0.000001 -0.000000 29O 1f+2 0.000002 -0.000007 -0.000002 0.000002 0.000000 -0.000002 29O 1f-2 -0.000001 0.000006 0.000000 0.000002 -0.000001 0.000001 29O 1f+3 0.000001 -0.000003 0.000000 -0.000004 -0.000000 0.000001 29O 1f-3 0.000003 -0.000009 0.000001 -0.000002 0.000000 -0.000001 30O 1s -0.435302 -0.017203 0.000961 0.000140 -0.000000 0.000000 30O 2s -0.639504 -0.025280 0.001425 0.000209 0.000005 -0.000000 30O 3s -0.032480 -0.001230 0.000025 -0.000010 -0.000039 0.000003 30O 4s 0.025181 0.000918 0.000001 0.000120 0.000043 0.000004 30O 5s -0.011814 -0.001932 -0.002273 -0.000873 0.000469 -0.000140 30O 1pz 0.000611 0.000027 -0.000031 0.000005 0.000005 -0.000002 30O 1px -0.001500 -0.000044 0.000025 0.000009 -0.000007 -0.000001 30O 1py -0.000484 -0.000027 0.000027 -0.000002 0.000015 -0.000001 30O 2pz -0.002039 -0.000024 0.000267 -0.000031 -0.000077 0.000010 30O 2px 0.003741 0.000020 -0.000251 -0.000037 0.000061 -0.000002 30O 2py 0.001940 0.000025 -0.000241 -0.000011 0.000024 0.000009 30O 3pz -0.001164 -0.000156 0.000142 -0.000033 0.000088 0.000016 30O 3px -0.000874 -0.000533 -0.000830 -0.000158 0.000278 -0.000070 30O 3py 0.001846 0.000393 -0.000486 0.000083 0.000069 -0.000090 30O 1dz2 0.000015 -0.000004 0.000006 -0.000007 0.000011 0.000002 30O 1dxz 0.000152 0.000012 -0.000009 0.000001 -0.000004 -0.000001 30O 1dyz 0.000090 -0.000009 -0.000002 0.000003 0.000017 -0.000001 30O 1dx2y2 -0.000040 -0.000009 0.000012 -0.000006 0.000009 0.000001 30O 1dxy -0.000176 -0.000019 0.000000 -0.000004 0.000009 0.000002 30O 2dz2 -0.000132 0.000017 -0.000020 0.000038 -0.000042 -0.000006 30O 2dxz -0.000855 -0.000041 0.000102 -0.000018 -0.000003 0.000008 30O 2dyz -0.000521 0.000051 0.000057 -0.000002 -0.000069 0.000002 30O 2dx2y2 0.000259 0.000038 -0.000079 0.000023 -0.000021 -0.000010 30O 2dxy 0.000964 0.000063 -0.000067 0.000007 -0.000009 -0.000007 30O 1f0 0.000074 0.000009 -0.000010 0.000003 -0.000008 -0.000001 30O 1f+1 0.000017 0.000001 -0.000006 0.000009 -0.000004 0.000000 30O 1f-1 0.000012 0.000002 -0.000001 0.000002 0.000002 0.000002 30O 1f+2 -0.000045 0.000003 0.000003 0.000004 -0.000013 0.000002 30O 1f-2 -0.000118 0.000001 0.000011 -0.000002 -0.000009 -0.000000 30O 1f+3 0.000022 -0.000005 -0.000002 -0.000002 0.000011 0.000002 30O 1f-3 -0.000093 -0.000003 0.000005 0.000002 -0.000009 0.000002 31O 1s 0.017205 -0.435302 0.000161 0.000834 0.000000 -0.000000 31O 2s 0.025270 -0.639504 0.000239 0.001238 -0.000000 0.000006 31O 3s 0.001337 -0.032477 -0.000008 0.000015 0.000003 -0.000042 31O 4s -0.001073 0.025178 0.000119 0.000010 0.000003 0.000047 31O 5s -0.000992 -0.011936 -0.000840 -0.002280 -0.000131 0.000503 31O 1pz 0.000021 -0.000612 -0.000005 0.000031 0.000002 -0.000004 31O 1px -0.000075 0.001498 -0.000008 -0.000025 0.000001 0.000008 31O 1py -0.000011 0.000484 0.000002 -0.000027 0.000001 -0.000015 31O 2pz -0.000137 0.002036 0.000035 -0.000266 -0.000011 0.000079 31O 2px 0.000276 -0.003731 0.000033 0.000249 0.000002 -0.000067 31O 2py 0.000128 -0.001935 0.000007 0.000239 -0.000009 -0.000029 31O 3pz 0.000061 0.001173 0.000035 -0.000141 -0.000010 -0.000080 31O 3px 0.000462 0.000914 0.000146 0.000830 0.000066 -0.000296 31O 3py -0.000244 -0.001873 -0.000090 0.000482 0.000087 -0.000065 31O 1dz2 -0.000005 0.000015 -0.000007 0.000006 0.000002 0.000012 31O 1dxz 0.000000 0.000152 0.000001 -0.000009 -0.000001 -0.000004 31O 1dyz -0.000016 0.000089 0.000003 -0.000002 -0.000001 0.000018 31O 1dx2y2 -0.000005 -0.000041 -0.000006 0.000012 0.000001 0.000009 31O 1dxy -0.000005 -0.000177 -0.000004 0.000000 0.000002 0.000010 31O 2dz2 0.000028 -0.000131 0.000038 -0.000020 -0.000006 -0.000044 31O 2dxz 0.000027 -0.000856 -0.000020 0.000101 0.000008 -0.000003 31O 2dyz 0.000092 -0.000515 -0.000003 0.000057 0.000003 -0.000075 31O 2dx2y2 0.000017 0.000262 0.000024 -0.000078 -0.000010 -0.000022 31O 2dxy -0.000014 0.000966 0.000008 -0.000066 -0.000007 -0.000010 31O 1f0 -0.000003 -0.000074 -0.000003 0.000010 0.000000 0.000008 31O 1f+1 0.000001 -0.000017 -0.000009 0.000006 -0.000000 0.000004 31O 1f-1 -0.000001 -0.000012 -0.000002 0.000001 -0.000002 -0.000001 31O 1f+2 -0.000007 0.000044 -0.000004 -0.000003 -0.000002 0.000013 31O 1f-2 -0.000010 0.000118 0.000002 -0.000010 0.000000 0.000010 31O 1f+3 0.000007 -0.000022 0.000002 0.000002 -0.000002 -0.000012 31O 1f-3 -0.000005 0.000093 -0.000002 -0.000005 -0.000002 0.000009 32O 1s -0.000002 -0.000003 -0.000005 0.000002 0.000000 -0.000000 32O 2s -0.000000 -0.000006 -0.000012 0.000003 -0.000000 0.000000 32O 3s -0.000023 0.000006 0.000076 -0.000001 0.000003 -0.000001 32O 4s 0.000232 -0.000035 -0.000332 0.000011 -0.000013 0.000004 32O 5s -0.001008 0.000142 0.000502 -0.000049 0.000047 -0.000022 32O 1pz -0.000013 -0.000001 0.000011 -0.000004 0.000005 -0.000001 32O 1px 0.000005 -0.000002 -0.000020 0.000004 0.000002 -0.000001 32O 1py 0.000014 0.000001 -0.000000 -0.000001 -0.000000 0.000000 32O 2pz 0.000064 0.000003 -0.000022 0.000011 -0.000030 0.000001 32O 2px 0.000037 0.000006 0.000086 -0.000018 -0.000012 0.000003 32O 2py -0.000059 -0.000005 -0.000030 0.000004 0.000002 -0.000002 32O 3pz 0.000230 -0.000046 -0.000338 0.000003 0.000103 -0.000043 32O 3px -0.000275 -0.000011 0.000227 0.000040 0.000042 -0.000020 32O 3py -0.000296 0.000068 -0.000220 -0.000001 0.000008 -0.000003 32O 1dz2 0.000002 -0.000001 0.000000 0.000002 0.000000 -0.000000 32O 1dxz -0.000011 0.000001 0.000022 -0.000003 -0.000001 0.000001 32O 1dyz -0.000006 0.000002 0.000005 -0.000002 -0.000002 0.000001 32O 1dx2y2 0.000004 0.000001 -0.000008 -0.000001 -0.000000 0.000000 32O 1dxy 0.000014 -0.000003 0.000009 -0.000003 -0.000000 0.000000 32O 2dz2 -0.000002 0.000002 -0.000019 -0.000004 -0.000004 -0.000001 32O 2dxz 0.000018 -0.000002 -0.000088 0.000010 0.000008 -0.000001 32O 2dyz 0.000043 -0.000007 -0.000014 0.000005 0.000000 -0.000005 32O 2dx2y2 -0.000017 -0.000001 0.000035 0.000001 0.000002 -0.000000 32O 2dxy -0.000027 0.000006 -0.000010 0.000010 -0.000002 -0.000001 32O 1f0 -0.000004 -0.000000 -0.000003 -0.000001 0.000001 -0.000001 32O 1f+1 -0.000000 -0.000000 0.000007 -0.000001 -0.000001 0.000000 32O 1f-1 0.000001 0.000001 -0.000007 -0.000001 0.000000 -0.000001 32O 1f+2 0.000007 -0.000001 -0.000001 0.000002 0.000002 -0.000000 32O 1f-2 -0.000006 0.000000 -0.000002 -0.000000 -0.000000 0.000001 32O 1f+3 0.000003 -0.000001 0.000004 -0.000000 -0.000001 0.000000 32O 1f-3 0.000009 -0.000002 0.000002 -0.000001 0.000001 -0.000000 33O 1s 0.000101 0.000840 -0.002823 0.435633 0.000000 -0.000000 33O 2s 0.000147 0.001222 -0.004140 0.639989 -0.000000 0.000007 33O 3s 0.000026 0.000105 -0.000264 0.032514 0.000005 -0.000056 33O 4s -0.000128 -0.000097 0.000246 -0.025260 -0.000001 0.000072 33O 5s 0.000788 0.002532 0.001249 0.011761 -0.000203 0.000638 33O 1pz 0.000008 -0.000038 0.000002 0.000707 0.000002 0.000006 33O 1px 0.000006 0.000024 0.000022 -0.001541 0.000001 0.000007 33O 1py 0.000001 -0.000006 0.000010 -0.000161 -0.000000 0.000017 33O 2pz -0.000041 0.000341 0.000080 -0.002556 -0.000007 0.000099 33O 2px -0.000023 -0.000285 -0.000144 0.003995 0.000004 -0.000093 33O 2py 0.000014 0.000049 -0.000009 -0.000027 0.000007 -0.000013 33O 3pz -0.000061 0.000298 -0.000286 -0.001807 -0.000085 -0.000036 33O 3px -0.000104 -0.001010 -0.000366 -0.000504 0.000119 -0.000377 33O 3py -0.000078 0.000164 -0.000308 -0.001334 -0.000044 -0.000023 33O 1dz2 0.000006 -0.000002 -0.000008 0.000024 0.000001 -0.000009 33O 1dxz -0.000002 0.000006 -0.000005 -0.000217 -0.000003 -0.000003 33O 1dyz -0.000007 0.000008 -0.000016 -0.000000 -0.000002 -0.000030 33O 1dx2y2 0.000007 -0.000010 0.000004 0.000115 0.000002 0.000002 33O 1dxy 0.000001 -0.000009 -0.000005 -0.000051 -0.000001 -0.000008 33O 2dz2 -0.000025 0.000029 0.000042 -0.000116 -0.000001 0.000034 33O 2dxz 0.000019 -0.000118 -0.000007 0.001228 0.000014 -0.000024 33O 2dyz 0.000041 -0.000030 0.000071 -0.000027 0.000009 0.000102 33O 2dx2y2 -0.000019 0.000099 -0.000002 -0.000691 -0.000012 0.000017 33O 2dxy -0.000013 0.000026 0.000015 0.000253 -0.000000 0.000020 33O 1f0 0.000000 -0.000007 -0.000000 0.000060 0.000003 -0.000002 33O 1f+1 0.000010 -0.000011 -0.000002 0.000073 -0.000002 -0.000003 33O 1f-1 -0.000003 0.000003 -0.000009 -0.000004 0.000001 -0.000021 33O 1f+2 0.000002 0.000010 0.000004 -0.000128 -0.000001 0.000019 33O 1f-2 -0.000004 -0.000001 -0.000004 0.000018 -0.000002 -0.000008 33O 1f+3 -0.000000 0.000004 -0.000002 -0.000067 -0.000002 -0.000002 33O 1f-3 -0.000001 -0.000001 -0.000001 0.000021 -0.000001 -0.000004 34O 1s -0.000356 0.000365 0.000374 0.000051 0.000000 -0.000000 34O 2s -0.000531 0.000566 0.000563 0.000077 -0.000005 0.000000 34O 3s 0.000034 -0.000070 -0.000022 -0.000011 0.000043 -0.000004 34O 4s -0.000174 -0.000284 0.000053 0.000112 -0.000062 -0.000005 34O 5s -0.000421 -0.002651 -0.002321 -0.000951 -0.000484 0.000139 34O 1pz -0.000000 -0.000006 -0.000002 -0.000002 0.000002 -0.000002 34O 1px -0.000008 -0.000008 0.000042 0.000005 0.000004 -0.000000 34O 1py 0.000001 0.000019 -0.000024 0.000010 0.000016 -0.000001 34O 2pz -0.000002 0.000151 0.000020 -0.000010 -0.000026 0.000008 34O 2px 0.000002 -0.000577 -0.000396 -0.000036 -0.000106 0.000002 34O 2py 0.000014 -0.000091 0.000174 -0.000043 -0.000001 0.000010 34O 3pz -0.000230 0.001348 -0.000059 0.000073 0.000232 -0.000045 34O 3px -0.000696 -0.000446 -0.000960 -0.000139 -0.000223 0.000092 34O 3py 0.000470 -0.001699 -0.000174 -0.000075 0.000002 -0.000045 34O 1dz2 -0.000005 0.000029 -0.000006 0.000007 -0.000009 -0.000000 34O 1dxz -0.000002 -0.000007 -0.000015 0.000005 -0.000001 -0.000001 34O 1dyz 0.000002 0.000039 0.000004 -0.000006 -0.000017 -0.000001 34O 1dx2y2 0.000008 -0.000011 0.000005 0.000000 -0.000010 -0.000003 34O 1dxy -0.000003 0.000032 -0.000000 0.000001 -0.000010 0.000000 34O 2dz2 0.000027 -0.000048 0.000081 -0.000011 0.000042 -0.000000 34O 2dxz 0.000002 0.000115 0.000078 -0.000034 0.000009 0.000001 34O 2dyz -0.000009 -0.000159 -0.000025 0.000033 0.000057 0.000001 34O 2dx2y2 -0.000042 -0.000109 -0.000098 -0.000005 0.000004 0.000015 34O 2dxy 0.000023 -0.000176 0.000042 -0.000007 0.000047 0.000004 34O 1f0 -0.000001 0.000002 -0.000000 -0.000001 -0.000012 0.000001 34O 1f+1 0.000001 -0.000021 0.000007 0.000000 0.000001 -0.000001 34O 1f-1 -0.000002 0.000013 -0.000000 -0.000003 0.000003 0.000000 34O 1f+2 -0.000003 -0.000025 0.000005 -0.000005 -0.000009 -0.000002 34O 1f-2 0.000003 -0.000071 0.000000 0.000001 -0.000008 0.000001 34O 1f+3 -0.000000 0.000017 0.000009 0.000005 0.000011 -0.000002 34O 1f-3 -0.000003 0.000003 -0.000011 0.000007 -0.000009 -0.000002 35O 1s -0.000257 -0.000067 0.000127 -0.000132 0.000000 -0.000000 35O 2s -0.000389 -0.000102 0.000194 -0.000225 -0.000008 0.000001 35O 3s 0.000018 0.000027 -0.000054 0.000092 0.000060 -0.000005 35O 4s -0.000020 -0.000162 0.000207 0.000266 -0.000080 -0.000004 35O 5s 0.002497 0.000934 0.000619 0.002547 -0.000709 0.000155 35O 1pz -0.000010 0.000004 0.000002 0.000017 -0.000012 -0.000001 35O 1px -0.000035 -0.000008 0.000006 0.000007 0.000008 -0.000000 35O 1py -0.000030 0.000007 0.000004 0.000010 -0.000014 0.000001 35O 2pz 0.000075 -0.000001 0.000004 -0.000163 -0.000026 -0.000001 35O 2px 0.000368 0.000035 0.000031 0.000562 -0.000141 0.000002 35O 2py 0.000249 -0.000037 0.000011 0.000126 -0.000034 -0.000012 35O 3pz 0.000083 -0.000129 0.000376 -0.001932 0.000234 0.000001 35O 3px 0.001178 0.000080 0.000700 0.000711 -0.000317 0.000100 35O 3py 0.000106 -0.000068 0.000508 -0.000969 -0.000107 0.000082 35O 1dz2 0.000010 -0.000009 0.000006 0.000005 0.000012 0.000001 35O 1dxz 0.000012 -0.000002 0.000000 0.000013 -0.000000 -0.000002 35O 1dyz 0.000002 0.000001 0.000002 0.000045 0.000030 0.000002 35O 1dx2y2 -0.000002 -0.000002 -0.000006 0.000015 -0.000004 -0.000002 35O 1dxy -0.000008 0.000003 -0.000005 0.000036 0.000009 -0.000001 35O 2dz2 -0.000104 0.000033 -0.000036 -0.000104 -0.000021 -0.000006 35O 2dxz -0.000039 0.000017 0.000008 -0.000137 -0.000005 -0.000000 35O 2dyz 0.000001 0.000013 -0.000007 -0.000214 -0.000101 -0.000008 35O 2dx2y2 0.000067 0.000014 0.000038 0.000080 -0.000014 0.000014 35O 2dxy 0.000112 -0.000022 0.000037 -0.000088 -0.000061 0.000003 35O 1f0 -0.000001 -0.000002 -0.000002 -0.000000 -0.000001 0.000002 35O 1f+1 -0.000008 0.000001 0.000000 -0.000026 0.000007 -0.000002 35O 1f-1 -0.000002 -0.000003 -0.000004 -0.000018 0.000024 0.000000 35O 1f+2 0.000004 -0.000001 0.000002 0.000048 -0.000015 -0.000002 35O 1f-2 0.000003 -0.000003 0.000003 -0.000052 0.000007 -0.000003 35O 1f+3 0.000000 -0.000008 0.000000 0.000012 0.000004 -0.000002 35O 1f-3 -0.000017 0.000005 -0.000003 0.000025 0.000008 -0.000000 24 25 26 27 28 29 -17.65737 -17.65734 -17.65199 -17.65194 -11.34181 -11.34177 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s 0.000000 0.000007 0.000003 0.000115 -0.000000 -0.000007 0Rh 2s 0.000000 -0.000024 0.000010 -0.000452 -0.000003 0.000033 0Rh 3s 0.000000 0.000017 0.000022 0.000273 -0.000004 -0.000016 0Rh 4s -0.000001 0.000032 -0.000054 0.000612 0.000015 -0.000069 0Rh 5s 0.000002 0.000005 0.000108 0.000002 -0.000042 0.000044 0Rh 6s -0.000002 0.000002 -0.000109 0.000190 0.000098 -0.000038 0Rh 7s -0.000033 0.000001 -0.000683 -0.001092 -0.000296 0.000135 0Rh 8s 0.000007 0.000020 0.000003 0.000668 -0.000081 0.000143 0Rh 1pz -0.000193 0.046401 0.001725 0.133074 0.000001 -0.000039 0Rh 1px 0.000222 -0.074939 -0.005584 -0.430629 0.000002 0.000022 0Rh 1py -0.001430 0.450199 -0.001109 -0.085398 0.000001 -0.000027 0Rh 2pz 0.000447 -0.107383 -0.003992 -0.307983 -0.000005 0.000095 0Rh 2px -0.000514 0.173427 0.012925 0.996642 -0.000007 -0.000059 0Rh 2py 0.003308 -1.041871 0.002567 0.197643 -0.000006 0.000064 0Rh 3pz 0.000022 -0.005017 -0.000182 -0.014321 0.000034 0.000048 0Rh 3px -0.000028 0.008103 0.000591 0.046332 0.000043 0.000042 0Rh 3py 0.000167 -0.048657 0.000119 0.009185 0.000040 0.000047 0Rh 4pz -0.000005 0.000458 0.000021 0.001293 -0.000069 -0.000103 0Rh 4px 0.000012 -0.000742 -0.000068 -0.004169 -0.000119 -0.000061 0Rh 4py -0.000051 0.004412 -0.000017 -0.000819 -0.000093 -0.000087 0Rh 5pz 0.000006 -0.000240 -0.000056 -0.000702 0.000042 0.000183 0Rh 5px -0.000017 0.000391 0.000178 0.002238 0.000156 0.000078 0Rh 5py 0.000077 -0.002259 0.000037 0.000427 0.000085 0.000140 0Rh 6pz -0.000053 0.000135 0.000155 0.000592 0.000546 -0.000811 0Rh 6px 0.000147 -0.000240 -0.000414 -0.001646 0.000318 -0.000278 0Rh 6py -0.000463 0.000823 -0.000040 -0.000130 0.000534 -0.000352 0Rh 1dz2 -0.000000 -0.000003 -0.000000 0.000089 0.004722 0.455097 0Rh 1dxz -0.000000 0.000031 -0.000000 0.000123 0.004653 0.460813 0Rh 1dyz -0.000000 -0.000061 0.000000 0.000021 0.000780 0.072050 0Rh 1dx2y2 -0.000000 -0.000057 0.000000 -0.000184 0.003036 0.290696 0Rh 1dxy 0.000001 0.000186 -0.000000 -0.000064 0.003381 0.327114 0Rh 2dz2 0.000001 0.000002 0.000006 0.000089 0.001721 0.166583 0Rh 2dxz -0.000001 0.000014 0.000008 0.000120 0.001701 0.168329 0Rh 2dyz 0.000003 -0.000024 0.000001 0.000021 0.000287 0.026720 0Rh 2dx2y2 0.000002 -0.000022 -0.000012 -0.000180 0.001100 0.106297 0Rh 2dxy -0.000008 0.000071 -0.000004 -0.000064 0.001232 0.119610 0Rh 3dz2 -0.000001 0.000000 -0.000015 -0.000011 0.000358 0.032488 0Rh 3dxz 0.000001 0.000001 -0.000021 -0.000010 0.000324 0.032815 0Rh 3dyz -0.000007 -0.000001 -0.000003 -0.000002 0.000064 0.005402 0Rh 3dx2y2 -0.000007 -0.000000 0.000031 0.000019 0.000244 0.020656 0Rh 3dxy 0.000021 -0.000000 0.000010 0.000009 0.000252 0.023371 0Rh 4dz2 0.000004 -0.000001 0.000048 -0.000002 -0.000101 -0.003610 0Rh 4dxz -0.000002 -0.000000 0.000066 -0.000005 -0.000010 -0.003562 0Rh 4dyz 0.000015 -0.000000 0.000011 -0.000000 -0.000036 -0.001143 0Rh 4dx2y2 0.000013 -0.000002 -0.000098 0.000006 -0.000080 -0.002092 0Rh 4dxy -0.000043 0.000010 -0.000033 0.000000 -0.000041 -0.002685 0Rh 5dz2 -0.000008 -0.000000 -0.000122 0.000044 0.000263 0.002299 0Rh 5dxz 0.000001 0.000011 -0.000168 0.000061 -0.000051 0.001967 0Rh 5dyz -0.000025 -0.000016 -0.000028 0.000010 0.000115 0.001828 0Rh 5dx2y2 -0.000016 -0.000017 0.000251 -0.000090 0.000019 0.000925 0Rh 5dxy 0.000064 0.000027 0.000086 -0.000031 -0.000057 0.001804 0Rh 1f0 -0.000001 -0.000011 -0.000009 -0.000017 0.000010 0.000014 0Rh 1f+1 -0.000000 -0.000004 0.000008 0.000017 -0.000032 -0.000003 0Rh 1f-1 -0.000002 -0.000021 0.000002 0.000005 0.000001 0.000004 0Rh 1f+2 -0.000001 0.000005 0.000012 0.000020 0.000002 -0.000007 0Rh 1f-2 -0.000001 -0.000029 0.000005 0.000010 -0.000007 -0.000008 0Rh 1f+3 0.000000 0.000026 0.000014 0.000026 0.000002 -0.000001 0Rh 1f-3 0.000000 -0.000036 0.000009 0.000019 -0.000016 0.000015 1Rh 1s 0.000006 0.000000 0.000115 -0.000000 0.000007 0.000000 1Rh 2s -0.000024 0.000000 -0.000451 0.000021 -0.000034 0.000004 1Rh 3s 0.000017 0.000000 0.000274 0.000015 0.000016 0.000004 1Rh 4s 0.000030 -0.000001 0.000608 -0.000070 0.000071 -0.000016 1Rh 5s 0.000005 0.000002 0.000006 0.000107 -0.000044 0.000042 1Rh 6s 0.000001 -0.000002 0.000187 -0.000114 0.000038 -0.000097 1Rh 7s 0.000003 -0.000035 -0.001108 -0.000655 -0.000137 0.000290 1Rh 8s 0.000018 0.000007 0.000666 -0.000015 -0.000127 0.000079 1Rh 1pz -0.023171 -0.000095 -0.133215 0.001728 -0.000040 0.000002 1Rh 1px 0.082170 0.000257 0.430595 -0.005582 0.000022 0.000001 1Rh 1py -0.450732 -0.001434 0.085348 -0.001105 -0.000027 0.000002 1Rh 2pz 0.053623 0.000221 0.308310 -0.003998 0.000096 -0.000007 1Rh 2px -0.190162 -0.000594 -0.996563 0.012918 -0.000059 -0.000006 1Rh 2py 1.043103 0.003320 -0.197529 0.002557 0.000063 -0.000008 1Rh 3pz 0.002506 0.000008 0.014336 -0.000189 0.000048 0.000033 1Rh 3px -0.008884 -0.000024 -0.046328 0.000610 0.000043 0.000042 1Rh 3py 0.048715 0.000142 -0.009179 0.000119 0.000047 0.000039 1Rh 4pz -0.000230 0.000004 -0.001293 0.000013 -0.000103 -0.000068 1Rh 4px 0.000812 -0.000006 0.004167 -0.000040 -0.000063 -0.000116 1Rh 4py -0.004416 0.000023 0.000818 -0.000004 -0.000087 -0.000092 1Rh 5pz 0.000123 -0.000008 0.000703 0.000038 0.000182 0.000040 1Rh 5px -0.000426 0.000013 -0.002241 -0.000120 0.000081 0.000153 1Rh 5py 0.002262 -0.000062 -0.000428 -0.000027 0.000138 0.000083 1Rh 6pz -0.000093 0.000077 -0.000594 -0.000139 -0.000794 0.000566 1Rh 6px 0.000250 -0.000138 0.001654 0.000371 -0.000264 0.000319 1Rh 6py -0.000827 0.000457 0.000134 0.000037 -0.000336 0.000549 1Rh 1dz2 0.000003 -0.000000 0.000089 -0.000002 -0.456903 0.004656 1Rh 1dxz 0.000022 0.000000 0.000122 -0.000003 -0.460824 0.004829 1Rh 1dyz -0.000062 -0.000001 0.000021 -0.000001 -0.074181 0.000721 1Rh 1dx2y2 -0.000060 -0.000001 -0.000183 0.000005 -0.291163 0.002947 1Rh 1dxy 0.000186 0.000002 -0.000063 0.000002 -0.323669 0.003310 1Rh 2dz2 0.000004 0.000001 0.000089 0.000003 -0.167243 0.001711 1Rh 2dxz 0.000010 -0.000001 0.000120 0.000005 -0.168333 0.001762 1Rh 2dyz -0.000025 0.000002 0.000021 0.000001 -0.027500 0.000269 1Rh 2dx2y2 -0.000023 0.000002 -0.000180 -0.000007 -0.106466 0.001087 1Rh 2dxy 0.000072 -0.000007 -0.000064 -0.000002 -0.118352 0.001215 1Rh 3dz2 0.000000 -0.000002 -0.000012 -0.000015 -0.032620 0.000311 1Rh 3dxz 0.000001 0.000002 -0.000011 -0.000020 -0.032818 0.000351 1Rh 3dyz -0.000001 -0.000007 -0.000003 -0.000003 -0.005556 0.000048 1Rh 3dx2y2 -0.000000 -0.000006 0.000020 0.000030 -0.020690 0.000181 1Rh 3dxy -0.000001 0.000021 0.000009 0.000010 -0.023127 0.000226 1Rh 4dz2 -0.000001 0.000005 -0.000001 0.000048 0.003627 0.000027 1Rh 4dxz -0.000001 -0.000004 -0.000003 0.000066 0.003562 -0.000063 1Rh 4dyz -0.000000 0.000015 0.000000 0.000011 0.001162 0.000012 1Rh 4dx2y2 -0.000002 0.000012 0.000003 -0.000098 0.002096 0.000037 1Rh 4dxy 0.000010 -0.000043 -0.000000 -0.000033 0.002659 -0.000015 1Rh 5dz2 0.000001 -0.000010 0.000040 -0.000123 -0.002314 -0.000216 1Rh 5dxz 0.000009 0.000004 0.000056 -0.000169 -0.001966 0.000092 1Rh 5dyz -0.000016 -0.000025 0.000009 -0.000028 -0.001844 -0.000078 1Rh 5dx2y2 -0.000018 -0.000015 -0.000083 0.000254 -0.000925 -0.000001 1Rh 5dxy 0.000027 0.000064 -0.000029 0.000086 -0.001788 0.000096 1Rh 1f0 0.000011 0.000001 0.000016 0.000009 0.000014 0.000010 1Rh 1f+1 0.000002 0.000000 -0.000017 -0.000007 -0.000004 -0.000032 1Rh 1f-1 0.000020 0.000002 -0.000005 -0.000002 0.000004 0.000001 1Rh 1f+2 -0.000003 0.000001 -0.000020 -0.000012 -0.000006 0.000003 1Rh 1f-2 0.000030 0.000001 -0.000010 -0.000004 -0.000008 -0.000006 1Rh 1f+3 -0.000027 -0.000000 -0.000025 -0.000014 -0.000001 0.000003 1Rh 1f-3 0.000036 -0.000000 -0.000018 -0.000008 0.000014 -0.000016 2C 1s 0.000000 -0.000000 0.000000 0.000000 0.000000 0.000001 2C 2s -0.000002 0.000001 -0.000002 -0.000001 -0.000002 -0.000007 2C 3s -0.000000 0.000005 -0.000023 -0.000021 -0.000030 -0.000286 2C 4s 0.000040 -0.000041 0.000247 0.000231 0.000213 0.001938 2C 5s -0.000210 0.000399 -0.000206 -0.000091 -0.001509 -0.000912 2C 1pz 0.000000 -0.000002 -0.000002 -0.000002 0.000003 -0.000039 2C 1px 0.000000 0.000001 0.000001 -0.000002 0.000004 -0.000002 2C 1py -0.000002 0.000003 -0.000001 -0.000001 -0.000004 0.000001 2C 2pz 0.000055 -0.000023 0.000188 0.000187 0.000098 0.001138 2C 2px 0.000023 -0.000012 0.000041 0.000033 0.000110 0.000222 2C 2py 0.000036 -0.000037 0.000125 0.000120 0.000114 0.000557 2C 3pz -0.000057 0.000079 -0.000076 -0.000060 -0.000347 -0.000257 2C 3px -0.000060 -0.000007 -0.000059 -0.000020 -0.000364 0.000075 2C 3py 0.000007 0.000029 -0.000049 -0.000028 -0.000106 -0.000032 2C 1dz2 0.000001 -0.000003 0.000005 0.000004 -0.000001 0.000014 2C 1dxz 0.000003 0.000001 0.000003 0.000003 0.000017 0.000008 2C 1dyz -0.000000 0.000002 0.000006 0.000005 -0.000002 0.000034 2C 1dx2y2 0.000002 -0.000000 -0.000003 -0.000004 0.000002 -0.000016 2C 1dxy 0.000002 0.000002 0.000000 0.000001 0.000007 0.000013 2C 2dz2 0.000005 0.000003 0.000045 0.000035 -0.000015 0.000304 2C 2dxz -0.000012 0.000003 -0.000001 0.000026 -0.000077 0.000103 2C 2dyz 0.000037 -0.000035 0.000068 0.000057 0.000128 0.000322 2C 2dx2y2 -0.000018 0.000002 -0.000011 -0.000021 -0.000040 -0.000066 2C 2dxy 0.000008 -0.000009 0.000002 0.000019 0.000008 0.000071 2C 1f0 -0.000004 0.000002 0.000005 -0.000001 -0.000015 0.000031 2C 1f+1 -0.000000 0.000002 0.000003 0.000007 0.000009 0.000024 2C 1f-1 0.000003 -0.000000 0.000004 0.000003 0.000003 0.000062 2C 1f+2 -0.000001 0.000002 -0.000006 -0.000002 -0.000019 -0.000027 2C 1f-2 -0.000002 -0.000001 -0.000003 0.000004 0.000004 0.000018 2C 1f+3 -0.000001 -0.000002 -0.000000 0.000002 -0.000004 -0.000002 2C 1f-3 0.000002 -0.000001 0.000005 0.000002 0.000016 0.000002 3C 1s -0.000001 0.000000 0.000000 0.000000 0.000000 -0.000001 3C 2s 0.000003 -0.000002 -0.000001 -0.000002 -0.000002 0.000004 3C 3s -0.000009 -0.000004 -0.000024 -0.000020 -0.000141 0.000167 3C 4s -0.000008 0.000057 0.000249 0.000234 0.000905 -0.001062 3C 5s 0.000192 -0.000417 -0.000135 -0.000119 0.000406 -0.000428 3C 1pz -0.000003 0.000004 -0.000001 -0.000000 -0.000003 -0.000005 3C 1px 0.000000 -0.000001 0.000000 -0.000002 -0.000012 -0.000006 3C 1py -0.000001 0.000002 0.000002 0.000001 0.000020 -0.000034 3C 2pz -0.000004 0.000001 0.000107 0.000108 0.000263 -0.000201 3C 2px -0.000029 0.000013 0.000078 0.000067 0.000193 -0.000140 3C 2py 0.000047 -0.000060 -0.000190 -0.000185 -0.000528 0.000669 3C 3pz 0.000010 -0.000062 -0.000009 -0.000028 0.000020 -0.000035 3C 3px 0.000097 0.000027 -0.000049 -0.000012 0.000075 -0.000174 3C 3py -0.000023 0.000088 0.000073 0.000076 -0.000165 0.000113 3C 1dz2 -0.000001 0.000003 -0.000000 -0.000000 -0.000002 -0.000003 3C 1dxz -0.000000 0.000001 0.000003 0.000003 0.000002 -0.000013 3C 1dyz -0.000001 -0.000001 -0.000004 -0.000004 -0.000018 0.000020 3C 1dx2y2 -0.000003 -0.000001 -0.000005 -0.000005 -0.000010 -0.000001 3C 1dxy 0.000003 0.000004 -0.000004 -0.000004 -0.000002 0.000012 3C 2dz2 0.000015 -0.000023 -0.000008 -0.000015 -0.000077 0.000125 3C 2dxz 0.000002 -0.000004 0.000007 0.000030 0.000046 -0.000027 3C 2dyz 0.000025 -0.000027 -0.000066 -0.000045 -0.000105 0.000135 3C 2dx2y2 0.000021 -0.000003 -0.000040 -0.000032 -0.000144 0.000173 3C 2dxy -0.000002 -0.000020 -0.000025 -0.000042 -0.000127 0.000084 3C 1f0 0.000002 -0.000000 -0.000001 -0.000001 -0.000021 0.000016 3C 1f+1 0.000000 -0.000002 0.000003 0.000000 -0.000008 0.000008 3C 1f-1 -0.000001 0.000001 -0.000002 0.000001 0.000013 -0.000014 3C 1f+2 0.000001 -0.000002 -0.000004 0.000001 -0.000018 0.000029 3C 1f-2 -0.000001 -0.000001 -0.000003 -0.000005 -0.000014 0.000011 3C 1f+3 0.000002 0.000001 0.000002 0.000008 0.000016 -0.000023 3C 1f-3 0.000001 0.000001 -0.000008 -0.000000 -0.000013 0.000019 4C 1s 0.000001 -0.000001 0.000001 0.000001 -0.000000 0.000004 4C 2s -0.000004 0.000004 -0.000003 -0.000003 0.000001 -0.000023 4C 3s 0.000120 -0.000124 -0.000032 -0.000025 -0.000032 0.000490 4C 4s -0.000527 0.000567 0.000499 0.000445 0.000139 -0.001540 4C 5s -0.000274 0.000244 0.000097 0.000069 0.000991 0.000324 4C 1pz 0.000008 -0.000003 -0.000006 -0.000003 -0.000025 -0.000042 4C 1px -0.000009 -0.000012 0.000002 -0.000002 0.000020 -0.000010 4C 1py 0.000005 -0.000010 -0.000002 -0.000002 0.000002 -0.000040 4C 2pz -0.000098 0.000006 0.000318 0.000216 0.000220 0.000978 4C 2px 0.000163 0.000217 -0.000092 0.000146 0.000148 0.000321 4C 2py -0.000030 0.000116 0.000152 0.000182 0.000106 0.000791 4C 3pz -0.000328 0.000395 -0.000279 -0.000176 -0.001149 -0.000286 4C 3px -0.000023 0.000087 0.000028 -0.000064 -0.000165 -0.000481 4C 3py -0.000333 0.000375 -0.000168 -0.000133 -0.000999 -0.000192 4C 1dz2 0.000008 -0.000009 0.000010 0.000008 0.000024 0.000003 4C 1dxz 0.000008 -0.000005 0.000000 0.000006 0.000016 0.000026 4C 1dyz 0.000006 -0.000003 0.000017 0.000016 0.000003 0.000074 4C 1dx2y2 -0.000007 0.000009 -0.000001 -0.000003 0.000012 -0.000022 4C 1dxy -0.000004 0.000001 0.000003 0.000005 -0.000020 0.000006 4C 2dz2 -0.000049 -0.000017 -0.000116 -0.000138 -0.000275 -0.000309 4C 2dxz 0.000058 0.000019 -0.000148 -0.000100 -0.000052 -0.000099 4C 2dyz -0.000077 0.000045 -0.000145 -0.000141 -0.000113 -0.000766 4C 2dx2y2 -0.000054 0.000057 0.000142 0.000146 0.000068 0.000158 4C 2dxy 0.000019 0.000108 -0.000011 0.000021 0.000212 -0.000050 4C 1f0 0.000010 -0.000001 -0.000014 0.000009 0.000019 0.000006 4C 1f+1 0.000008 -0.000014 0.000003 -0.000019 -0.000004 0.000043 4C 1f-1 -0.000006 -0.000004 0.000002 0.000006 -0.000016 0.000039 4C 1f+2 -0.000016 -0.000005 0.000016 -0.000004 -0.000002 -0.000052 4C 1f-2 0.000006 0.000006 0.000012 -0.000010 0.000009 0.000061 4C 1f+3 -0.000011 -0.000007 0.000016 -0.000011 0.000023 0.000019 4C 1f-3 0.000001 -0.000021 -0.000002 -0.000011 -0.000039 0.000070 5C 1s -0.000001 0.000001 0.000001 0.000001 0.000002 -0.000003 5C 2s 0.000005 -0.000005 -0.000003 -0.000003 -0.000015 0.000016 5C 3s -0.000162 0.000158 -0.000024 -0.000035 0.000361 -0.000403 5C 4s 0.000710 -0.000694 0.000453 0.000503 -0.001357 0.001478 5C 5s 0.000432 -0.000350 0.000100 0.000051 -0.000385 0.000286 5C 1pz -0.000010 -0.000000 -0.000002 -0.000001 -0.000010 0.000018 5C 1px 0.000011 0.000016 0.000001 -0.000005 -0.000024 -0.000011 5C 1py 0.000015 -0.000009 0.000004 0.000004 0.000000 -0.000013 5C 2pz 0.000143 0.000031 0.000183 0.000112 0.000247 -0.000313 5C 2px -0.000229 -0.000269 -0.000009 0.000236 0.000180 -0.000107 5C 2py -0.000173 0.000067 -0.000278 -0.000241 -0.000303 0.000375 5C 3pz 0.000264 -0.000281 -0.000146 -0.000109 0.000302 -0.000510 5C 3px 0.000127 -0.000245 -0.000046 -0.000151 0.000385 0.000003 5C 3py -0.000544 0.000595 0.000209 0.000203 -0.000384 0.000368 5C 1dz2 -0.000005 0.000006 -0.000003 -0.000005 0.000006 -0.000030 5C 1dxz -0.000012 0.000008 0.000002 0.000004 0.000026 -0.000008 5C 1dyz 0.000005 -0.000006 -0.000016 -0.000015 -0.000027 0.000033 5C 1dx2y2 0.000014 -0.000013 -0.000009 -0.000005 -0.000005 0.000002 5C 1dxy 0.000008 -0.000009 -0.000007 -0.000011 -0.000000 0.000030 5C 2dz2 -0.000038 0.000075 -0.000023 -0.000041 0.000086 0.000042 5C 2dxz -0.000054 0.000010 -0.000118 -0.000100 -0.000104 -0.000039 5C 2dyz -0.000134 0.000068 0.000095 0.000111 0.000325 -0.000410 5C 2dx2y2 -0.000005 -0.000085 0.000180 0.000206 0.000002 -0.000038 5C 2dxy 0.000072 0.000098 0.000135 0.000088 0.000140 -0.000235 5C 1f0 -0.000022 -0.000005 -0.000013 0.000001 0.000016 0.000018 5C 1f+1 0.000003 0.000021 -0.000002 -0.000011 0.000040 -0.000072 5C 1f-1 -0.000003 -0.000005 0.000006 -0.000003 -0.000013 -0.000006 5C 1f+2 0.000005 0.000010 0.000011 -0.000017 -0.000049 0.000016 5C 1f-2 0.000023 0.000005 0.000001 0.000006 -0.000031 0.000063 5C 1f+3 0.000002 0.000019 0.000010 -0.000021 0.000033 -0.000031 5C 1f-3 0.000014 -0.000013 0.000019 -0.000005 -0.000029 0.000018 6C 1s 0.000001 -0.000001 0.000001 0.000001 0.000003 -0.000002 6C 2s -0.000005 0.000005 -0.000003 -0.000003 -0.000016 0.000015 6C 3s 0.000166 -0.000155 -0.000035 -0.000023 0.000397 -0.000367 6C 4s -0.000729 0.000678 0.000515 0.000442 -0.001462 0.001386 6C 5s -0.000364 0.000417 0.000053 0.000099 -0.000288 0.000395 6C 1pz 0.000000 0.000009 0.000001 0.000002 0.000018 -0.000010 6C 1px -0.000017 -0.000011 0.000005 -0.000001 -0.000012 -0.000024 6C 1py 0.000009 -0.000014 -0.000004 -0.000004 -0.000013 -0.000000 6C 2pz -0.000030 -0.000137 -0.000116 -0.000180 -0.000309 0.000247 6C 2px 0.000279 0.000223 -0.000237 0.000016 -0.000097 0.000182 6C 2py -0.000070 0.000169 0.000247 0.000272 0.000367 -0.000301 6C 3pz 0.000301 -0.000244 0.000113 0.000143 -0.000504 0.000311 6C 3px 0.000255 -0.000118 0.000151 0.000042 0.000014 0.000382 6C 3py -0.000618 0.000521 -0.000209 -0.000204 0.000363 -0.000393 6C 1dz2 0.000006 -0.000004 -0.000005 -0.000003 0.000030 -0.000006 6C 1dxz 0.000009 -0.000012 0.000004 0.000002 0.000007 -0.000026 6C 1dyz -0.000006 0.000005 -0.000015 -0.000016 -0.000032 0.000027 6C 1dx2y2 -0.000014 0.000013 -0.000006 -0.000009 -0.000002 0.000005 6C 1dxy -0.000009 0.000007 -0.000011 -0.000007 -0.000030 0.000001 6C 2dz2 0.000080 -0.000036 -0.000041 -0.000021 -0.000043 -0.000085 6C 2dxz 0.000010 -0.000050 -0.000103 -0.000116 0.000042 0.000100 6C 2dyz 0.000071 -0.000128 0.000114 0.000092 0.000403 -0.000329 6C 2dx2y2 -0.000088 -0.000004 0.000211 0.000174 0.000036 0.000001 6C 2dxy 0.000101 0.000071 0.000091 0.000133 0.000233 -0.000143 6C 1f0 0.000004 0.000021 -0.000001 0.000013 0.000018 0.000016 6C 1f+1 -0.000022 -0.000003 0.000012 0.000002 -0.000071 0.000042 6C 1f-1 0.000005 0.000003 0.000003 -0.000006 -0.000006 -0.000012 6C 1f+2 -0.000010 -0.000004 0.000016 -0.000012 0.000015 -0.000049 6C 1f-2 -0.000006 -0.000023 -0.000006 -0.000001 0.000063 -0.000033 6C 1f+3 -0.000020 -0.000002 0.000021 -0.000011 -0.000031 0.000034 6C 1f-3 0.000013 -0.000014 0.000004 -0.000019 0.000017 -0.000030 7C 1s -0.000001 0.000001 0.000001 0.000001 -0.000004 0.000000 7C 2s 0.000003 -0.000004 -0.000003 -0.000003 0.000022 -0.000001 7C 3s -0.000116 0.000127 -0.000026 -0.000031 -0.000488 0.000041 7C 4s 0.000532 -0.000558 0.000460 0.000487 0.001531 -0.000168 7C 5s 0.000228 -0.000296 0.000072 0.000096 -0.000354 -0.000984 7C 1pz 0.000002 -0.000009 0.000003 0.000006 -0.000043 -0.000024 7C 1px 0.000011 0.000009 0.000002 -0.000002 -0.000009 0.000020 7C 1py 0.000010 -0.000005 0.000002 0.000002 -0.000040 0.000003 7C 2pz -0.000005 0.000108 -0.000224 -0.000312 0.000981 0.000201 7C 2px -0.000202 -0.000177 -0.000144 0.000097 0.000328 0.000140 7C 2py -0.000111 0.000030 -0.000187 -0.000148 0.000799 0.000092 7C 3pz -0.000366 0.000356 0.000183 0.000277 -0.000302 -0.001144 7C 3px -0.000080 0.000027 0.000063 -0.000030 -0.000474 -0.000154 7C 3py -0.000361 0.000347 0.000137 0.000167 -0.000206 -0.000997 7C 1dz2 -0.000009 0.000009 0.000008 0.000010 -0.000003 -0.000024 7C 1dxz -0.000005 0.000009 0.000006 0.000000 -0.000026 -0.000015 7C 1dyz -0.000003 0.000007 0.000017 0.000017 -0.000074 -0.000002 7C 1dx2y2 0.000009 -0.000008 -0.000003 -0.000001 0.000021 -0.000012 7C 1dxy 0.000001 -0.000004 0.000005 0.000003 -0.000005 0.000020 7C 2dz2 -0.000014 -0.000052 -0.000141 -0.000112 0.000313 0.000270 7C 2dxz 0.000016 0.000064 -0.000103 -0.000146 0.000098 0.000050 7C 2dyz 0.000040 -0.000082 -0.000145 -0.000141 0.000768 0.000100 7C 2dx2y2 0.000053 -0.000055 0.000150 0.000138 -0.000162 -0.000065 7C 2dxy 0.000103 0.000019 0.000022 -0.000012 0.000043 -0.000212 7C 1f0 0.000001 -0.000010 -0.000008 0.000015 0.000006 0.000019 7C 1f+1 0.000013 -0.000008 0.000019 -0.000003 0.000042 -0.000005 7C 1f-1 0.000004 0.000007 -0.000006 -0.000002 0.000038 -0.000017 7C 1f+2 0.000005 0.000018 0.000003 -0.000017 -0.000053 -0.000002 7C 1f-2 -0.000006 -0.000007 0.000010 -0.000012 0.000061 0.000008 7C 1f+3 0.000006 0.000012 0.000011 -0.000017 0.000020 0.000022 7C 1f-3 0.000020 -0.000000 0.000011 0.000002 0.000069 -0.000040 8C 1s 0.000000 -0.000001 0.000000 0.000000 0.000001 -0.000000 8C 2s -0.000002 0.000003 -0.000002 -0.000001 -0.000004 0.000002 8C 3s -0.000004 -0.000009 -0.000021 -0.000024 -0.000164 0.000143 8C 4s 0.000060 -0.000005 0.000240 0.000242 0.001045 -0.000915 8C 5s -0.000441 0.000174 -0.000123 -0.000132 0.000423 -0.000410 8C 1pz -0.000004 0.000003 0.000001 0.000001 -0.000005 -0.000003 8C 1px 0.000001 -0.000000 0.000002 -0.000001 -0.000006 -0.000011 8C 1py -0.000001 0.000001 -0.000001 -0.000002 -0.000033 0.000021 8C 2pz -0.000002 0.000003 -0.000111 -0.000104 -0.000194 0.000264 8C 2px -0.000015 0.000028 -0.000069 -0.000076 -0.000136 0.000191 8C 2py 0.000062 -0.000043 0.000190 0.000185 0.000659 -0.000534 8C 3pz 0.000063 -0.000011 0.000028 0.000009 -0.000039 0.000020 8C 3px -0.000026 -0.000095 0.000014 0.000050 -0.000172 0.000084 8C 3py -0.000092 0.000018 -0.000078 -0.000071 0.000109 -0.000166 8C 1dz2 0.000003 -0.000001 -0.000000 -0.000000 0.000003 0.000002 8C 1dxz 0.000001 -0.000000 0.000004 0.000003 0.000013 -0.000002 8C 1dyz -0.000001 -0.000001 -0.000004 -0.000004 -0.000020 0.000018 8C 1dx2y2 -0.000002 -0.000004 -0.000005 -0.000005 0.000002 0.000010 8C 1dxy 0.000004 0.000003 -0.000004 -0.000004 -0.000012 0.000002 8C 2dz2 -0.000023 0.000015 -0.000016 -0.000008 -0.000123 0.000078 8C 2dxz -0.000004 0.000003 0.000030 0.000006 0.000027 -0.000046 8C 2dyz -0.000029 0.000023 -0.000047 -0.000065 -0.000133 0.000105 8C 2dx2y2 -0.000003 0.000021 -0.000033 -0.000039 -0.000170 0.000145 8C 2dxy -0.000021 -0.000002 -0.000043 -0.000023 -0.000081 0.000128 8C 1f0 0.000000 -0.000002 0.000001 0.000001 0.000015 -0.000021 8C 1f+1 0.000002 -0.000000 -0.000001 -0.000003 0.000008 -0.000008 8C 1f-1 -0.000001 0.000001 -0.000001 0.000002 -0.000013 0.000013 8C 1f+2 0.000002 -0.000001 -0.000001 0.000004 0.000028 -0.000018 8C 1f-2 0.000001 0.000001 0.000005 0.000002 0.000011 -0.000014 8C 1f+3 -0.000001 -0.000002 -0.000008 -0.000002 -0.000023 0.000016 8C 1f-3 -0.000001 -0.000001 0.000000 0.000008 0.000019 -0.000014 9C 1s -0.000000 0.000000 0.000000 0.000000 -0.000001 -0.000000 9C 2s 0.000001 -0.000002 -0.000002 -0.000001 0.000007 0.000002 9C 3s 0.000005 0.000001 -0.000022 -0.000023 0.000288 0.000023 9C 4s -0.000038 0.000039 0.000237 0.000241 -0.001947 -0.000173 9C 5s 0.000377 -0.000215 -0.000097 -0.000208 0.000950 0.001481 9C 1pz 0.000002 -0.000000 0.000002 0.000002 -0.000039 0.000004 9C 1px -0.000000 -0.000000 0.000002 -0.000001 -0.000002 0.000003 9C 1py -0.000003 0.000001 0.000001 0.000001 0.000001 -0.000004 9C 2pz 0.000020 -0.000056 -0.000191 -0.000182 0.001138 0.000073 9C 2px 0.000010 -0.000025 -0.000034 -0.000040 0.000225 0.000108 9C 2py 0.000037 -0.000037 -0.000123 -0.000123 0.000563 0.000106 9C 3pz -0.000074 0.000057 0.000062 0.000074 -0.000263 -0.000337 9C 3px 0.000006 0.000066 0.000022 0.000059 0.000061 -0.000373 9C 3py -0.000027 -0.000003 0.000030 0.000050 -0.000033 -0.000112 9C 1dz2 -0.000003 0.000001 0.000004 0.000004 -0.000014 0.000001 9C 1dxz 0.000000 0.000003 0.000003 0.000003 -0.000009 -0.000017 9C 1dyz 0.000002 -0.000000 0.000005 0.000006 -0.000034 0.000003 9C 1dx2y2 -0.000000 0.000002 -0.000004 -0.000003 0.000016 -0.000002 9C 1dxy 0.000002 0.000002 0.000001 0.000000 -0.000013 -0.000007 9C 2dz2 0.000004 0.000006 0.000036 0.000044 -0.000302 0.000021 9C 2dxz 0.000004 -0.000013 0.000026 -0.000002 -0.000100 0.000079 9C 2dyz -0.000033 0.000038 0.000059 0.000066 -0.000326 -0.000121 9C 2dx2y2 0.000002 -0.000018 -0.000022 -0.000011 0.000069 0.000039 9C 2dxy -0.000008 0.000007 0.000019 0.000002 -0.000070 -0.000006 9C 1f0 -0.000002 0.000003 0.000001 -0.000005 0.000030 -0.000016 9C 1f+1 -0.000002 0.000001 -0.000007 -0.000003 0.000024 0.000008 9C 1f-1 0.000000 -0.000003 -0.000003 -0.000004 0.000062 0.000002 9C 1f+2 -0.000002 0.000001 0.000002 0.000005 -0.000028 -0.000018 9C 1f-2 0.000001 0.000002 -0.000004 0.000003 0.000018 0.000004 9C 1f+3 0.000002 0.000001 -0.000002 0.000001 -0.000002 -0.000005 9C 1f-3 0.000001 -0.000002 -0.000002 -0.000005 0.000002 0.000016 10H 1s 0.000000 -0.000001 -0.000004 -0.000003 -0.000013 -0.000002 10H 2s -0.000005 0.000020 -0.000003 0.000037 -0.000076 -0.000008 10H 3s 0.000024 -0.000034 0.000008 -0.000036 0.000272 -0.000026 10H 1pz 0.000000 0.000002 -0.000002 0.000003 -0.000007 -0.000019 10H 1px -0.000000 -0.000000 0.000002 -0.000004 0.000023 0.000008 10H 1py -0.000001 0.000001 -0.000001 0.000001 -0.000003 -0.000014 11H 1s 0.000004 -0.000001 0.000001 0.000002 0.000012 0.000002 11H 2s 0.000019 -0.000012 0.000021 0.000004 0.000053 0.000030 11H 3s -0.000035 -0.000037 -0.000050 -0.000044 -0.000159 -0.000002 11H 1pz 0.000000 0.000001 -0.000002 -0.000003 -0.000017 -0.000011 11H 1px 0.000005 -0.000003 0.000004 0.000002 0.000016 -0.000003 11H 1py -0.000005 0.000001 -0.000006 -0.000005 -0.000022 -0.000008 12H 1s 0.000002 -0.000001 -0.000001 -0.000000 0.000003 0.000003 12H 2s -0.000014 -0.000014 0.000029 -0.000001 -0.000032 -0.000071 12H 3s 0.000016 -0.000022 -0.000042 -0.000025 0.000082 0.000223 12H 1pz -0.000001 0.000001 -0.000005 -0.000004 0.000000 -0.000023 12H 1px 0.000001 -0.000003 0.000003 0.000001 0.000007 -0.000015 12H 1py -0.000001 -0.000002 0.000003 -0.000002 -0.000006 -0.000039 13H 1s -0.000001 0.000003 -0.000004 -0.000003 0.000006 -0.000007 13H 2s 0.000019 -0.000033 -0.000005 0.000038 0.000004 0.000034 13H 3s -0.000038 0.000007 0.000002 -0.000043 -0.000035 0.000095 13H 1pz 0.000003 -0.000004 -0.000002 0.000003 -0.000004 0.000015 13H 1px -0.000001 -0.000001 0.000001 -0.000004 -0.000005 0.000001 13H 1py -0.000001 0.000004 0.000001 -0.000002 0.000012 -0.000013 14H 1s -0.000007 0.000001 -0.000001 -0.000001 0.000002 -0.000005 14H 2s 0.000020 -0.000011 0.000028 -0.000002 0.000031 0.000098 14H 3s 0.000037 0.000051 -0.000041 -0.000018 -0.000023 -0.000146 14H 1pz 0.000004 -0.000005 0.000000 -0.000002 -0.000003 0.000021 14H 1px -0.000001 -0.000001 0.000005 -0.000000 -0.000003 0.000026 14H 1py -0.000005 0.000000 0.000004 0.000003 0.000008 -0.000016 15H 1s -0.000007 0.000005 0.000002 0.000002 0.000000 -0.000002 15H 2s 0.000010 0.000010 0.000016 0.000002 -0.000032 -0.000028 15H 3s 0.000021 0.000009 -0.000058 -0.000045 0.000092 0.000044 15H 1pz 0.000003 -0.000003 -0.000008 -0.000006 0.000010 -0.000003 15H 1px -0.000001 0.000001 -0.000000 -0.000001 -0.000004 0.000000 15H 1py -0.000002 -0.000001 0.000002 0.000003 0.000002 0.000006 16H 1s -0.000002 0.000002 -0.000009 -0.000016 0.000007 0.000037 16H 2s 0.000032 -0.000047 0.000021 -0.000056 -0.000044 -0.000303 16H 3s -0.000009 0.000002 0.000011 0.000027 0.000057 -0.000144 16H 1pz 0.000006 -0.000005 0.000002 -0.000006 -0.000005 -0.000063 16H 1px 0.000002 -0.000009 -0.000005 -0.000006 -0.000010 0.000041 16H 1py 0.000000 0.000003 -0.000002 0.000001 -0.000000 0.000019 17H 1s -0.000002 0.000002 -0.000009 -0.000016 0.000001 0.000011 17H 2s 0.000036 -0.000046 0.000022 -0.000063 -0.000040 -0.000283 17H 3s -0.000012 0.000004 0.000011 0.000027 -0.000039 0.000033 17H 1pz -0.000007 0.000010 0.000001 0.000009 0.000007 0.000060 17H 1px -0.000002 -0.000005 -0.000006 0.000001 0.000013 0.000050 17H 1py 0.000002 0.000003 -0.000001 -0.000000 -0.000002 0.000004 18H 1s 0.000002 -0.000002 -0.000016 -0.000008 -0.000013 -0.000000 18H 2s -0.000046 0.000035 -0.000060 0.000025 0.000284 0.000035 18H 3s 0.000004 -0.000011 0.000027 0.000010 -0.000039 0.000041 18H 1pz -0.000010 0.000007 -0.000009 -0.000001 0.000061 0.000006 18H 1px 0.000005 0.000003 -0.000001 0.000006 0.000049 0.000012 18H 1py -0.000003 -0.000001 0.000000 0.000001 0.000005 -0.000002 19H 1s 0.000002 -0.000002 -0.000016 -0.000008 -0.000036 -0.000006 19H 2s -0.000045 0.000033 -0.000055 0.000022 0.000298 0.000037 19H 3s 0.000002 -0.000010 0.000027 0.000011 0.000143 -0.000061 19H 1pz 0.000005 -0.000006 0.000006 -0.000002 -0.000061 -0.000004 19H 1px 0.000009 -0.000002 0.000006 0.000005 0.000040 -0.000011 19H 1py -0.000003 -0.000001 -0.000001 0.000002 0.000019 -0.000001 20H 1s 0.000005 -0.000007 0.000002 0.000002 0.000002 0.000000 20H 2s 0.000011 0.000011 0.000003 0.000016 0.000029 0.000031 20H 3s 0.000011 0.000019 -0.000047 -0.000057 -0.000049 -0.000094 20H 1pz 0.000003 -0.000002 0.000006 0.000007 -0.000003 0.000010 20H 1px -0.000001 0.000001 0.000001 0.000000 -0.000000 -0.000004 20H 1py 0.000001 0.000002 -0.000003 -0.000002 0.000006 0.000001 21H 1s 0.000001 -0.000007 -0.000001 -0.000001 0.000004 -0.000001 21H 2s -0.000010 0.000019 -0.000001 0.000028 -0.000100 -0.000029 21H 3s 0.000052 0.000039 -0.000019 -0.000041 0.000148 0.000016 21H 1pz 0.000005 -0.000003 0.000002 -0.000000 0.000022 -0.000004 21H 1px 0.000001 0.000001 0.000000 -0.000005 0.000026 -0.000003 21H 1py -0.000000 0.000005 -0.000003 -0.000004 -0.000016 0.000008 22H 1s 0.000003 -0.000001 -0.000003 -0.000003 0.000007 -0.000006 22H 2s -0.000034 0.000019 0.000037 -0.000006 -0.000034 -0.000005 22H 3s 0.000010 -0.000036 -0.000043 0.000003 -0.000093 0.000040 22H 1pz 0.000004 -0.000003 -0.000003 0.000002 0.000015 -0.000004 22H 1px 0.000001 0.000001 0.000004 -0.000001 0.000001 -0.000006 22H 1py -0.000004 0.000001 0.000002 -0.000001 -0.000012 0.000012 23H 1s -0.000001 0.000003 -0.000000 -0.000001 -0.000003 -0.000004 23H 2s -0.000014 -0.000015 0.000000 0.000029 0.000071 0.000031 23H 3s -0.000019 0.000012 -0.000027 -0.000041 -0.000228 -0.000070 23H 1pz -0.000001 0.000001 0.000004 0.000005 -0.000023 0.000001 23H 1px 0.000003 -0.000001 -0.000001 -0.000003 -0.000014 0.000007 23H 1py 0.000003 0.000001 0.000002 -0.000003 -0.000039 -0.000005 24H 1s -0.000001 0.000005 0.000001 0.000001 -0.000002 -0.000012 24H 2s -0.000011 0.000018 0.000004 0.000021 -0.000032 -0.000050 24H 3s -0.000036 -0.000037 -0.000045 -0.000049 0.000006 0.000162 24H 1pz -0.000001 -0.000000 0.000003 0.000002 -0.000012 -0.000017 24H 1px 0.000002 -0.000005 -0.000002 -0.000004 -0.000002 0.000016 24H 1py -0.000001 0.000005 0.000005 0.000006 -0.000008 -0.000022 25H 1s -0.000001 0.000000 -0.000003 -0.000004 0.000002 0.000013 25H 2s 0.000018 -0.000007 0.000037 -0.000004 0.000010 0.000078 25H 3s -0.000032 0.000026 -0.000035 0.000009 0.000015 -0.000276 25H 1pz -0.000002 0.000000 -0.000003 0.000002 -0.000020 -0.000007 25H 1px 0.000000 0.000000 0.000004 -0.000002 0.000008 0.000023 25H 1py -0.000001 0.000001 -0.000001 0.000001 -0.000014 -0.000002 26O 1s -0.000000 0.000000 -0.000000 0.000000 0.000001 0.000000 26O 2s 0.000001 -0.000006 0.000001 -0.000004 -0.000009 0.000000 26O 3s -0.000006 0.000047 -0.000012 0.000051 0.000115 0.000047 26O 4s 0.000002 -0.000067 0.000014 -0.000209 -0.000523 0.000071 26O 5s 0.000133 -0.000536 -0.000158 -0.000055 0.000642 -0.001325 26O 1pz -0.000001 0.000017 -0.000004 -0.000006 -0.000014 0.000013 26O 1px -0.000001 -0.000001 0.000001 0.000005 -0.000003 -0.000017 26O 1py 0.000002 -0.000003 -0.000002 -0.000002 0.000015 0.000017 26O 2pz 0.000011 -0.000009 0.000032 0.000033 0.000057 -0.000200 26O 2px 0.000002 0.000088 0.000002 0.000028 0.000118 -0.000025 26O 2py -0.000009 0.000073 0.000019 0.000033 -0.000034 -0.000159 26O 3pz -0.000038 -0.000055 0.000109 0.000166 0.000292 -0.000469 26O 3px -0.000114 0.000331 0.000258 0.000396 0.000043 0.000205 26O 3py -0.000004 -0.000090 0.000164 0.000235 0.000234 -0.000765 26O 1dz2 0.000003 0.000014 -0.000001 -0.000006 -0.000009 -0.000038 26O 1dxz 0.000000 0.000004 -0.000004 0.000009 0.000008 -0.000019 26O 1dyz 0.000000 0.000020 0.000001 -0.000002 0.000002 0.000011 26O 1dx2y2 0.000000 0.000003 0.000004 0.000000 0.000002 -0.000009 26O 1dxy -0.000002 0.000004 0.000001 0.000006 0.000003 -0.000003 26O 2dz2 -0.000012 -0.000027 0.000010 0.000028 0.000047 0.000068 26O 2dxz -0.000007 -0.000018 0.000007 -0.000044 -0.000051 0.000051 26O 2dyz -0.000002 -0.000072 0.000002 -0.000003 -0.000015 -0.000171 26O 2dx2y2 0.000003 -0.000031 -0.000017 -0.000006 -0.000036 0.000108 26O 2dxy 0.000007 -0.000035 -0.000008 -0.000038 -0.000015 0.000008 26O 1f0 -0.000002 -0.000008 0.000000 -0.000003 0.000002 0.000018 26O 1f+1 0.000002 -0.000008 0.000001 -0.000004 -0.000000 0.000014 26O 1f-1 -0.000000 -0.000018 -0.000002 0.000002 0.000003 0.000007 26O 1f+2 0.000001 0.000007 -0.000000 0.000005 0.000004 0.000019 26O 1f-2 0.000002 -0.000007 -0.000000 0.000001 -0.000003 0.000005 26O 1f+3 0.000002 -0.000006 -0.000001 0.000003 -0.000011 -0.000003 26O 1f-3 0.000001 -0.000002 0.000001 -0.000003 0.000004 -0.000007 27O 1s 0.000000 -0.000000 -0.000000 0.000000 -0.000001 -0.000000 27O 2s -0.000000 0.000007 0.000001 -0.000004 0.000008 0.000002 27O 3s 0.000005 -0.000055 -0.000010 0.000048 -0.000096 -0.000041 27O 4s 0.000005 0.000070 0.000002 -0.000193 0.000295 -0.000038 27O 5s -0.000158 0.000665 -0.000187 -0.000198 -0.000065 0.000325 27O 1pz 0.000001 -0.000017 -0.000002 -0.000005 -0.000025 -0.000019 27O 1px 0.000001 0.000002 -0.000001 0.000002 0.000005 -0.000012 27O 1py 0.000002 0.000009 0.000004 0.000006 -0.000000 0.000001 27O 2pz -0.000009 0.000032 0.000018 0.000021 0.000129 0.000100 27O 2px -0.000002 -0.000130 0.000019 0.000061 -0.000107 0.000183 27O 2py -0.000002 0.000046 -0.000034 -0.000043 0.000017 -0.000140 27O 3pz 0.000027 0.000054 0.000023 0.000003 -0.000150 0.000738 27O 3px 0.000126 -0.000312 0.000289 0.000428 -0.000040 0.000343 27O 3py -0.000013 -0.000200 -0.000120 -0.000164 -0.000102 -0.000181 27O 1dz2 -0.000002 0.000006 -0.000002 -0.000002 0.000003 -0.000032 27O 1dxz -0.000001 -0.000007 -0.000004 0.000005 0.000002 0.000001 27O 1dyz 0.000003 0.000028 -0.000002 0.000005 0.000004 0.000017 27O 1dx2y2 0.000002 0.000008 0.000003 0.000006 0.000006 -0.000036 27O 1dxy -0.000001 0.000010 0.000003 -0.000008 -0.000003 0.000009 27O 2dz2 0.000008 -0.000043 0.000009 0.000022 -0.000027 0.000146 27O 2dxz 0.000009 0.000019 0.000012 -0.000023 -0.000035 0.000039 27O 2dyz -0.000008 -0.000092 0.000001 -0.000013 -0.000020 -0.000138 27O 2dx2y2 -0.000012 0.000008 -0.000019 -0.000036 0.000007 0.000057 27O 2dxy 0.000000 -0.000047 -0.000004 0.000050 0.000000 -0.000065 27O 1f0 0.000002 -0.000012 0.000002 -0.000005 -0.000007 -0.000002 27O 1f+1 -0.000000 0.000005 0.000001 -0.000003 0.000002 0.000001 27O 1f-1 -0.000002 -0.000008 0.000001 0.000000 0.000000 -0.000027 27O 1f+2 -0.000002 -0.000015 0.000001 0.000000 0.000008 0.000006 27O 1f-2 0.000001 -0.000014 -0.000000 0.000004 -0.000002 -0.000012 27O 1f+3 -0.000003 0.000016 0.000000 -0.000002 0.000001 -0.000008 27O 1f-3 -0.000003 -0.000004 -0.000000 0.000006 0.000001 0.000022 28O 1s -0.000000 0.000000 0.000000 -0.000000 -0.000000 -0.000001 28O 2s 0.000005 -0.000000 -0.000003 0.000001 0.000003 0.000009 28O 3s -0.000040 0.000003 0.000046 -0.000009 -0.000082 -0.000098 28O 4s 0.000050 0.000002 -0.000186 -0.000002 0.000057 0.000219 28O 5s 0.000452 -0.000144 -0.000229 -0.000197 0.000879 0.000129 28O 1pz -0.000013 0.000000 -0.000004 -0.000003 -0.000001 0.000002 28O 1px -0.000010 0.000000 -0.000005 -0.000000 0.000007 -0.000024 28O 1py 0.000002 -0.000002 -0.000004 -0.000002 -0.000017 -0.000032 28O 2pz -0.000040 -0.000005 0.000065 0.000039 0.000130 -0.000054 28O 2px 0.000086 -0.000007 -0.000035 -0.000006 0.000024 0.000170 28O 2py -0.000040 0.000009 0.000026 0.000022 0.000131 0.000148 28O 3pz -0.000095 0.000097 0.000326 0.000221 0.000831 0.000312 28O 3px 0.000192 -0.000057 -0.000315 -0.000192 -0.000082 -0.000085 28O 3py 0.000208 -0.000019 0.000097 0.000063 0.000967 0.000098 28O 1dz2 -0.000014 -0.000002 0.000005 -0.000003 0.000025 0.000004 28O 1dxz -0.000003 -0.000003 -0.000009 -0.000000 0.000031 -0.000012 28O 1dyz -0.000017 -0.000000 -0.000000 0.000000 -0.000015 -0.000003 28O 1dx2y2 -0.000001 0.000000 -0.000000 0.000004 0.000015 0.000003 28O 1dxy -0.000009 -0.000002 -0.000007 0.000004 0.000001 -0.000013 28O 2dz2 0.000047 0.000010 -0.000031 0.000009 -0.000047 -0.000020 28O 2dxz -0.000017 0.000011 0.000054 0.000013 -0.000110 0.000017 28O 2dyz 0.000058 0.000001 -0.000009 0.000003 0.000161 -0.000000 28O 2dx2y2 0.000017 -0.000006 -0.000006 -0.000018 -0.000095 0.000024 28O 2dxy 0.000029 0.000005 0.000033 -0.000006 0.000005 0.000088 28O 1f0 0.000007 -0.000001 -0.000002 0.000001 -0.000012 -0.000000 28O 1f+1 0.000008 0.000002 -0.000006 0.000001 -0.000028 0.000001 28O 1f-1 0.000017 -0.000000 0.000001 -0.000001 0.000004 -0.000001 28O 1f+2 -0.000007 0.000002 0.000002 -0.000000 -0.000018 -0.000006 28O 1f-2 0.000005 0.000002 0.000000 -0.000001 -0.000028 -0.000010 28O 1f+3 -0.000000 0.000001 -0.000001 -0.000001 -0.000010 -0.000008 28O 1f-3 -0.000002 0.000000 -0.000006 0.000001 0.000004 -0.000011 29O 1s -0.000000 0.000000 0.000000 0.000001 -0.000000 -0.000000 29O 2s 0.000000 -0.000001 -0.000003 -0.000012 0.000001 -0.000000 29O 3s -0.000001 0.000010 0.000023 0.000088 -0.000013 -0.000009 29O 4s 0.000008 -0.000041 -0.000061 -0.000339 0.000027 -0.000092 29O 5s -0.000070 0.000134 0.000135 0.000914 0.000020 0.000721 29O 1pz -0.000000 0.000001 0.000003 0.000005 -0.000001 -0.000002 29O 1px 0.000001 -0.000002 -0.000007 -0.000013 0.000002 0.000020 29O 1py 0.000001 -0.000004 0.000000 0.000004 -0.000001 0.000019 29O 2pz 0.000003 -0.000003 -0.000007 -0.000013 0.000004 0.000006 29O 2px -0.000009 0.000008 0.000016 0.000031 0.000002 -0.000022 29O 2py -0.000002 0.000016 -0.000001 -0.000020 -0.000000 -0.000097 29O 3pz -0.000002 -0.000010 0.000016 0.000113 -0.000020 -0.000066 29O 3px 0.000006 0.000001 -0.000043 -0.000333 0.000006 -0.000082 29O 3py 0.000060 -0.000125 0.000014 -0.000086 -0.000067 -0.000236 29O 1dz2 0.000000 -0.000000 -0.000003 -0.000006 0.000002 0.000024 29O 1dxz 0.000000 -0.000001 -0.000004 -0.000007 0.000001 -0.000007 29O 1dyz -0.000000 0.000001 -0.000001 -0.000001 0.000001 0.000005 29O 1dx2y2 -0.000000 0.000001 0.000007 0.000007 -0.000001 -0.000003 29O 1dxy 0.000001 -0.000001 0.000003 0.000006 -0.000000 -0.000014 29O 2dz2 -0.000002 -0.000000 0.000009 0.000013 -0.000005 -0.000070 29O 2dxz -0.000002 0.000002 0.000013 0.000010 -0.000002 0.000035 29O 2dyz 0.000001 -0.000001 0.000003 0.000002 -0.000006 -0.000014 29O 2dx2y2 0.000001 -0.000005 -0.000020 -0.000006 0.000002 0.000015 29O 2dxy 0.000000 0.000005 -0.000008 -0.000017 -0.000003 0.000030 29O 1f0 0.000001 -0.000000 0.000001 0.000001 -0.000002 -0.000009 29O 1f+1 -0.000000 0.000000 -0.000001 -0.000002 0.000001 0.000013 29O 1f-1 0.000001 0.000000 -0.000000 -0.000005 -0.000001 -0.000004 29O 1f+2 -0.000001 0.000001 -0.000003 -0.000005 0.000001 -0.000001 29O 1f-2 0.000000 0.000000 -0.000001 -0.000005 0.000000 -0.000002 29O 1f+3 -0.000001 0.000001 -0.000004 -0.000006 0.000002 0.000007 29O 1f-3 -0.000000 0.000000 -0.000001 -0.000002 -0.000001 0.000012 30O 1s 0.000000 -0.000000 0.000000 -0.000000 0.000000 0.000001 30O 2s -0.000008 0.000001 -0.000004 0.000001 -0.000001 -0.000008 30O 3s 0.000061 -0.000007 0.000049 -0.000011 0.000030 0.000093 30O 4s -0.000081 0.000004 -0.000201 0.000009 0.000068 -0.000264 30O 5s -0.000687 0.000197 -0.000100 -0.000184 -0.000530 0.000021 30O 1pz 0.000013 -0.000001 -0.000001 -0.000002 0.000015 0.000018 30O 1px 0.000014 0.000000 -0.000007 -0.000002 0.000001 0.000021 30O 1py -0.000007 -0.000002 0.000003 0.000003 -0.000002 0.000004 30O 2pz 0.000044 0.000006 0.000032 0.000021 -0.000138 -0.000041 30O 2px -0.000104 0.000008 -0.000012 0.000009 0.000020 -0.000155 30O 2py -0.000086 0.000005 -0.000044 -0.000033 0.000153 -0.000058 30O 3pz 0.000167 -0.000102 0.000294 0.000176 -0.000673 -0.000097 30O 3px -0.000374 0.000095 -0.000243 -0.000157 -0.000167 -0.000019 30O 3py 0.000064 0.000060 -0.000323 -0.000205 0.000510 -0.000041 30O 1dz2 -0.000005 0.000001 0.000003 -0.000003 0.000026 -0.000001 30O 1dxz 0.000005 0.000002 -0.000005 -0.000002 -0.000002 0.000014 30O 1dyz -0.000028 -0.000001 -0.000002 -0.000001 -0.000019 -0.000005 30O 1dx2y2 -0.000007 0.000000 -0.000005 0.000005 0.000024 0.000006 30O 1dxy -0.000015 -0.000003 0.000009 -0.000001 0.000008 -0.000001 30O 2dz2 0.000026 -0.000008 -0.000011 0.000008 -0.000117 0.000044 30O 2dxz 0.000013 -0.000010 0.000029 0.000013 -0.000048 -0.000044 30O 2dyz 0.000113 0.000003 0.000026 0.000003 0.000137 0.000028 30O 2dx2y2 0.000014 0.000006 0.000027 -0.000017 -0.000044 -0.000042 30O 2dxy 0.000023 0.000013 -0.000046 -0.000009 0.000035 -0.000027 30O 1f0 0.000011 0.000001 -0.000002 0.000002 -0.000003 -0.000005 30O 1f+1 -0.000004 -0.000001 -0.000005 0.000001 -0.000000 0.000013 30O 1f-1 0.000007 -0.000001 -0.000000 -0.000000 0.000028 0.000010 30O 1f+2 0.000018 -0.000003 -0.000003 0.000001 0.000008 0.000000 30O 1f-2 0.000019 0.000001 0.000001 0.000001 -0.000006 0.000000 30O 1f+3 -0.000011 -0.000002 -0.000005 0.000000 0.000009 0.000001 30O 1f-3 0.000007 -0.000003 0.000004 -0.000001 -0.000014 0.000006 31O 1s -0.000000 0.000000 -0.000000 0.000000 -0.000001 -0.000000 31O 2s 0.000001 -0.000008 0.000001 -0.000004 0.000008 0.000000 31O 3s -0.000008 0.000059 -0.000010 0.000050 -0.000094 -0.000028 31O 4s 0.000005 -0.000079 0.000004 -0.000202 0.000264 -0.000076 31O 5s 0.000209 -0.000659 -0.000185 -0.000096 -0.000012 0.000524 31O 1pz 0.000001 -0.000013 0.000002 0.000001 0.000018 0.000015 31O 1px -0.000000 -0.000014 0.000002 0.000007 0.000021 0.000000 31O 1py 0.000001 0.000007 -0.000003 -0.000003 0.000003 -0.000002 31O 2pz -0.000005 -0.000040 -0.000022 -0.000032 -0.000044 -0.000138 31O 2px -0.000009 0.000101 -0.000008 0.000012 -0.000154 0.000024 31O 2py -0.000005 0.000085 0.000034 0.000043 -0.000055 0.000154 31O 3pz 0.000104 -0.000171 -0.000183 -0.000290 -0.000110 -0.000674 31O 3px -0.000101 0.000358 0.000163 0.000239 -0.000023 -0.000162 31O 3py -0.000065 -0.000068 0.000213 0.000319 -0.000030 0.000519 31O 1dz2 0.000001 -0.000005 -0.000003 0.000003 0.000001 -0.000026 31O 1dxz 0.000002 0.000005 -0.000002 -0.000005 -0.000014 0.000003 31O 1dyz -0.000001 -0.000027 -0.000001 -0.000002 0.000006 0.000019 31O 1dx2y2 0.000000 -0.000007 0.000005 -0.000006 -0.000007 -0.000024 31O 1dxy -0.000003 -0.000015 -0.000000 0.000009 0.000001 -0.000008 31O 2dz2 -0.000008 0.000024 0.000007 -0.000011 -0.000042 0.000118 31O 2dxz -0.000011 0.000013 0.000014 0.000028 0.000044 0.000047 31O 2dyz 0.000002 0.000109 0.000004 0.000026 -0.000031 -0.000136 31O 2dx2y2 0.000007 0.000013 -0.000016 0.000027 0.000042 0.000043 31O 2dxy 0.000013 0.000023 -0.000010 -0.000045 0.000027 -0.000037 31O 1f0 -0.000001 -0.000011 -0.000001 0.000002 -0.000005 -0.000003 31O 1f+1 0.000001 0.000004 -0.000001 0.000005 0.000013 -0.000001 31O 1f-1 0.000001 -0.000007 0.000000 0.000000 0.000011 0.000028 31O 1f+2 0.000003 -0.000017 -0.000001 0.000003 0.000000 0.000008 31O 1f-2 -0.000001 -0.000018 -0.000001 -0.000001 0.000000 -0.000006 31O 1f+3 0.000002 0.000010 -0.000000 0.000005 0.000002 0.000009 31O 1f-3 0.000003 -0.000007 0.000001 -0.000004 0.000006 -0.000014 32O 1s 0.000000 -0.000000 0.000001 0.000000 0.000000 0.000000 32O 2s -0.000001 0.000000 -0.000012 -0.000003 0.000000 -0.000001 32O 3s 0.000010 -0.000001 0.000088 0.000021 0.000010 0.000013 32O 4s -0.000040 0.000008 -0.000339 -0.000052 0.000089 -0.000029 32O 5s 0.000130 -0.000069 0.000915 0.000111 -0.000714 -0.000006 32O 1pz -0.000001 0.000000 -0.000005 -0.000003 -0.000002 -0.000001 32O 1px 0.000002 -0.000001 0.000013 0.000007 0.000020 0.000001 32O 1py 0.000004 -0.000001 -0.000004 -0.000000 0.000019 -0.000002 32O 2pz 0.000004 -0.000003 0.000013 0.000007 0.000010 0.000004 32O 2px -0.000007 0.000009 -0.000031 -0.000015 -0.000021 0.000003 32O 2py -0.000016 0.000002 0.000020 0.000000 -0.000095 0.000001 32O 3pz 0.000004 -0.000000 -0.000113 -0.000013 -0.000062 -0.000017 32O 3px -0.000003 -0.000007 0.000334 0.000034 -0.000083 0.000008 32O 3py 0.000125 -0.000059 0.000086 -0.000016 -0.000236 -0.000062 32O 1dz2 -0.000000 0.000000 -0.000006 -0.000003 -0.000025 -0.000001 32O 1dxz -0.000001 0.000000 -0.000007 -0.000004 0.000007 -0.000001 32O 1dyz 0.000001 -0.000000 -0.000001 -0.000001 -0.000005 -0.000001 32O 1dx2y2 0.000001 -0.000000 0.000008 0.000006 0.000003 0.000001 32O 1dxy -0.000001 0.000001 0.000006 0.000003 0.000014 -0.000000 32O 2dz2 -0.000000 -0.000002 0.000013 0.000008 0.000072 0.000003 32O 2dxz 0.000001 -0.000002 0.000011 0.000013 -0.000035 0.000002 32O 2dyz -0.000002 0.000001 0.000003 0.000003 0.000014 0.000006 32O 2dx2y2 -0.000005 0.000001 -0.000006 -0.000020 -0.000017 -0.000002 32O 2dxy 0.000005 0.000000 -0.000017 -0.000008 -0.000029 0.000004 32O 1f0 0.000000 -0.000001 -0.000001 -0.000001 -0.000009 -0.000002 32O 1f+1 -0.000000 0.000000 0.000002 0.000001 0.000014 0.000001 32O 1f-1 -0.000000 -0.000001 0.000005 0.000000 -0.000004 -0.000001 32O 1f+2 -0.000001 0.000001 0.000005 0.000003 -0.000000 0.000001 32O 1f-2 -0.000000 -0.000000 0.000005 0.000001 -0.000002 0.000000 32O 1f+3 -0.000001 0.000001 0.000006 0.000004 0.000007 0.000002 32O 1f-3 -0.000000 0.000000 0.000002 0.000001 0.000012 -0.000001 33O 1s 0.000000 -0.000000 -0.000000 0.000000 0.000001 0.000000 33O 2s -0.000000 0.000006 0.000001 -0.000004 -0.000009 -0.000003 33O 3s 0.000003 -0.000043 -0.000008 0.000046 0.000101 0.000080 33O 4s 0.000002 0.000054 -0.000007 -0.000186 -0.000224 -0.000055 33O 5s -0.000136 0.000486 -0.000204 -0.000225 -0.000140 -0.000866 33O 1pz -0.000000 0.000013 0.000004 0.000004 0.000002 -0.000001 33O 1px -0.000000 0.000011 0.000000 0.000005 -0.000024 0.000007 33O 1py 0.000002 -0.000001 0.000002 0.000004 -0.000032 -0.000016 33O 2pz 0.000005 0.000046 -0.000041 -0.000064 -0.000051 0.000130 33O 2px 0.000008 -0.000092 0.000007 0.000035 0.000170 0.000020 33O 2py -0.000010 0.000040 -0.000023 -0.000025 0.000151 0.000127 33O 3pz -0.000092 0.000092 -0.000229 -0.000319 0.000325 0.000824 33O 3px 0.000052 -0.000212 0.000200 0.000310 -0.000089 -0.000082 33O 3py 0.000023 -0.000210 -0.000066 -0.000096 0.000116 0.000964 33O 1dz2 -0.000002 -0.000014 -0.000003 0.000005 -0.000004 -0.000024 33O 1dxz -0.000003 -0.000004 -0.000001 -0.000009 0.000012 -0.000031 33O 1dyz 0.000000 -0.000018 0.000000 -0.000000 0.000003 0.000015 33O 1dx2y2 0.000000 -0.000001 0.000004 -0.000000 -0.000004 -0.000015 33O 1dxy -0.000002 -0.000009 0.000004 -0.000007 0.000013 -0.000002 33O 2dz2 0.000009 0.000049 0.000008 -0.000031 0.000021 0.000047 33O 2dxz 0.000010 -0.000018 0.000014 0.000054 -0.000014 0.000110 33O 2dyz 0.000000 0.000063 0.000002 -0.000009 -0.000003 -0.000160 33O 2dx2y2 -0.000005 0.000018 -0.000018 -0.000006 -0.000022 0.000095 33O 2dxy 0.000005 0.000030 -0.000005 0.000033 -0.000088 -0.000003 33O 1f0 0.000001 -0.000007 -0.000001 0.000002 -0.000000 -0.000012 33O 1f+1 -0.000002 -0.000008 -0.000001 0.000006 -0.000000 -0.000029 33O 1f-1 0.000000 -0.000018 0.000001 -0.000001 -0.000001 0.000004 33O 1f+2 -0.000002 0.000008 0.000000 -0.000002 -0.000007 -0.000018 33O 1f-2 -0.000002 -0.000005 0.000001 -0.000000 -0.000010 -0.000028 33O 1f+3 -0.000001 0.000000 0.000001 0.000001 -0.000008 -0.000010 33O 1f-3 -0.000000 0.000001 -0.000001 0.000006 -0.000011 0.000004 34O 1s -0.000000 0.000000 0.000000 -0.000000 0.000000 0.000001 34O 2s 0.000008 -0.000000 -0.000004 0.000001 -0.000002 -0.000008 34O 3s -0.000057 0.000004 0.000048 -0.000011 0.000042 0.000095 34O 4s 0.000073 0.000005 -0.000194 0.000008 0.000033 -0.000296 34O 5s 0.000694 -0.000147 -0.000203 -0.000182 -0.000313 0.000071 34O 1pz 0.000017 -0.000001 0.000005 0.000002 -0.000019 -0.000025 34O 1px -0.000002 -0.000001 -0.000002 0.000001 -0.000013 0.000005 34O 1py -0.000010 -0.000002 -0.000006 -0.000004 0.000001 -0.000001 34O 2pz -0.000031 0.000010 -0.000021 -0.000017 0.000103 0.000126 34O 2px 0.000136 0.000003 -0.000061 -0.000017 0.000183 -0.000111 34O 2py -0.000046 0.000002 0.000044 0.000033 -0.000140 0.000021 34O 3pz -0.000067 -0.000030 -0.000004 -0.000023 0.000735 -0.000167 34O 3px 0.000326 -0.000119 -0.000436 -0.000278 0.000351 -0.000051 34O 3py 0.000200 0.000012 0.000167 0.000116 -0.000186 -0.000097 34O 1dz2 0.000006 -0.000002 -0.000002 -0.000001 0.000032 -0.000004 34O 1dxz -0.000007 -0.000001 0.000005 -0.000004 -0.000001 -0.000002 34O 1dyz 0.000029 0.000003 0.000005 -0.000002 -0.000017 -0.000004 34O 1dx2y2 0.000008 0.000002 0.000006 0.000002 0.000035 -0.000006 34O 1dxy 0.000011 -0.000001 -0.000008 0.000003 -0.000009 0.000003 34O 2dz2 -0.000045 0.000007 0.000023 0.000008 -0.000146 0.000030 34O 2dxz 0.000018 0.000009 -0.000023 0.000012 -0.000039 0.000035 34O 2dyz -0.000096 -0.000009 -0.000013 0.000001 0.000139 0.000017 34O 2dx2y2 0.000008 -0.000011 -0.000037 -0.000018 -0.000056 -0.000007 34O 2dxy -0.000049 -0.000000 0.000050 -0.000005 0.000065 -0.000001 34O 1f0 0.000012 -0.000001 0.000005 -0.000002 -0.000002 -0.000007 34O 1f+1 -0.000005 0.000000 0.000003 -0.000001 0.000001 0.000002 34O 1f-1 0.000008 0.000002 -0.000000 -0.000001 -0.000027 0.000001 34O 1f+2 0.000015 0.000002 -0.000000 -0.000001 0.000006 0.000008 34O 1f-2 0.000014 -0.000001 -0.000004 0.000001 -0.000012 -0.000001 34O 1f+3 -0.000016 0.000003 0.000002 -0.000000 -0.000008 0.000002 34O 1f-3 0.000004 0.000002 -0.000006 0.000000 0.000023 0.000001 35O 1s 0.000000 -0.000000 0.000000 -0.000000 -0.000000 -0.000001 35O 2s -0.000006 0.000001 -0.000004 0.000002 0.000000 0.000009 35O 3s 0.000044 -0.000006 0.000051 -0.000013 -0.000050 -0.000114 35O 4s -0.000063 0.000001 -0.000208 0.000019 -0.000057 0.000525 35O 5s -0.000501 0.000139 -0.000062 -0.000155 0.001328 -0.000673 35O 1pz -0.000016 0.000001 0.000006 0.000004 0.000013 -0.000014 35O 1px 0.000001 0.000001 -0.000005 -0.000001 -0.000017 -0.000002 35O 1py 0.000003 -0.000002 0.000002 0.000002 0.000018 0.000014 35O 2pz 0.000011 -0.000011 -0.000034 -0.000031 -0.000199 0.000062 35O 2px -0.000081 -0.000002 -0.000029 -0.000001 -0.000021 0.000118 35O 2py -0.000071 0.000008 -0.000034 -0.000018 -0.000159 -0.000030 35O 3pz 0.000043 0.000038 -0.000168 -0.000105 -0.000465 0.000302 35O 3px -0.000315 0.000117 -0.000403 -0.000248 0.000211 0.000039 35O 3py 0.000095 0.000009 -0.000239 -0.000158 -0.000763 0.000249 35O 1dz2 0.000013 0.000003 -0.000006 -0.000000 0.000038 0.000008 35O 1dxz 0.000004 0.000000 0.000008 -0.000004 0.000019 -0.000008 35O 1dyz 0.000019 0.000001 -0.000002 0.000001 -0.000011 -0.000002 35O 1dx2y2 0.000003 0.000000 0.000000 0.000004 0.000008 -0.000002 35O 1dxy 0.000004 -0.000002 0.000006 0.000001 0.000003 -0.000003 35O 2dz2 -0.000025 -0.000013 0.000029 0.000009 -0.000071 -0.000046 35O 2dxz -0.000018 -0.000007 -0.000044 0.000008 -0.000050 0.000052 35O 2dyz -0.000067 -0.000003 -0.000003 0.000003 0.000171 0.000011 35O 2dx2y2 -0.000031 0.000004 -0.000006 -0.000017 -0.000106 0.000037 35O 2dxy -0.000033 0.000007 -0.000039 -0.000007 -0.000008 0.000015 35O 1f0 0.000009 0.000003 0.000003 -0.000000 0.000018 0.000001 35O 1f+1 0.000007 -0.000002 0.000004 -0.000001 0.000014 -0.000001 35O 1f-1 0.000017 0.000000 -0.000002 0.000002 0.000007 0.000003 35O 1f+2 -0.000006 -0.000001 -0.000005 0.000000 0.000019 0.000003 35O 1f-2 0.000006 -0.000002 -0.000001 0.000000 0.000005 -0.000003 35O 1f+3 0.000005 -0.000002 -0.000003 0.000001 -0.000004 -0.000011 35O 1f-3 0.000002 -0.000001 0.000003 -0.000001 -0.000007 0.000004 30 31 32 33 34 35 -11.34009 -11.34003 -11.33940 -11.33936 -11.33786 -11.33780 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s -0.000001 -0.000017 0.000000 0.000016 0.000001 0.000019 0Rh 2s -0.000007 0.000086 0.000007 -0.000092 0.000009 -0.000098 0Rh 3s -0.000008 -0.000029 0.000007 0.000025 0.000010 0.000033 0Rh 4s 0.000031 -0.000191 -0.000029 0.000212 -0.000040 0.000217 0Rh 5s -0.000091 0.000146 0.000082 -0.000178 0.000112 -0.000167 0Rh 6s 0.000219 -0.000148 -0.000196 0.000180 -0.000270 0.000175 0Rh 7s -0.000851 0.000617 0.000942 -0.000852 0.001028 -0.000709 0Rh 8s -0.000207 -0.000445 0.000176 0.001231 0.000310 0.000469 0Rh 1pz 0.000000 -0.000048 0.000001 0.000003 -0.000003 0.000094 0Rh 1px 0.000003 0.000043 -0.000002 -0.000030 -0.000004 -0.000044 0Rh 1py 0.000000 0.000017 0.000005 -0.000096 -0.000000 -0.000017 0Rh 2pz -0.000003 0.000119 -0.000005 -0.000010 0.000015 -0.000226 0Rh 2px -0.000014 -0.000117 0.000012 0.000082 0.000018 0.000123 0Rh 2py -0.000000 -0.000042 -0.000022 0.000229 0.000002 0.000044 0Rh 3pz 0.000015 0.000030 0.000033 0.000029 -0.000074 -0.000112 0Rh 3px 0.000089 0.000077 -0.000080 -0.000064 -0.000123 -0.000115 0Rh 3py 0.000002 -0.000016 0.000115 0.000151 -0.000016 -0.000015 0Rh 4pz -0.000017 -0.000071 -0.000090 -0.000037 0.000147 0.000240 0Rh 4px -0.000251 -0.000094 0.000227 0.000075 0.000343 0.000156 0Rh 4py -0.000015 0.000044 -0.000252 -0.000303 0.000047 0.000015 0Rh 5pz -0.000029 0.000136 0.000113 0.000043 -0.000075 -0.000422 0Rh 5px 0.000341 0.000091 -0.000313 -0.000057 -0.000450 -0.000186 0Rh 5py 0.000037 -0.000087 0.000196 0.000534 -0.000067 -0.000001 0Rh 6pz 0.000362 -0.000627 0.000380 -0.000123 -0.001167 0.001900 0Rh 6px 0.000736 -0.000080 -0.000734 -0.000070 -0.001053 0.000444 0Rh 6py -0.000113 0.000434 0.001470 -0.002448 -0.000082 -0.000230 0Rh 1dz2 -0.000385 -0.064631 0.001306 -0.272310 -0.001828 0.429131 0Rh 1dxz 0.002121 0.396798 0.000013 -0.026255 0.001960 -0.493010 0Rh 1dyz -0.003518 -0.590634 0.001974 -0.331678 0.001722 -0.388880 0Rh 1dx2y2 -0.000015 -0.015642 0.000689 -0.164680 -0.000996 0.194040 0Rh 1dxy -0.001446 -0.323747 -0.002830 0.635939 0.000121 0.010710 0Rh 2dz2 -0.000135 -0.023857 0.000475 -0.099716 -0.000678 0.156842 0Rh 2dxz 0.000783 0.145082 -0.000003 -0.009668 0.000701 -0.180245 0Rh 2dyz -0.001276 -0.216630 0.000724 -0.121430 0.000632 -0.142374 0Rh 2dx2y2 -0.000019 -0.005931 0.000265 -0.060136 -0.000352 0.071122 0Rh 2dxy -0.000532 -0.118637 -0.001026 0.232280 0.000051 0.003905 0Rh 3dz2 -0.000049 -0.004760 0.000104 -0.019449 -0.000105 0.030414 0Rh 3dxz 0.000129 0.028332 0.000022 -0.001909 0.000185 -0.035169 0Rh 3dyz -0.000295 -0.042541 0.000140 -0.023758 0.000119 -0.027800 0Rh 3dx2y2 0.000032 -0.001283 0.000014 -0.011653 -0.000105 0.013898 0Rh 3dxy -0.000100 -0.023269 -0.000228 0.045216 -0.000009 0.000761 0Rh 4dz2 0.000045 0.000842 -0.000030 0.002249 -0.000014 -0.002989 0Rh 4dxz 0.000036 -0.003241 -0.000034 0.000291 -0.000140 0.004038 0Rh 4dyz 0.000146 0.005451 -0.000020 0.002867 -0.000007 0.003182 0Rh 4dx2y2 -0.000054 0.000533 0.000053 0.001103 0.000059 -0.001664 0Rh 4dxy 0.000012 0.002949 0.000122 -0.004868 0.000033 -0.000095 0Rh 5dz2 0.000033 -0.001180 -0.000045 -0.001577 -0.000198 0.001082 0Rh 5dxz -0.000011 0.002120 -0.000094 -0.000327 0.000263 -0.002636 0Rh 5dyz -0.000326 -0.004912 0.000035 -0.002206 0.000006 -0.002177 0Rh 5dx2y2 -0.000162 -0.001094 0.000150 -0.000328 0.000230 0.001270 0Rh 5dxy -0.000101 -0.002561 -0.000403 0.002557 0.000048 0.000058 0Rh 1f0 0.000004 0.000007 -0.000008 -0.000011 0.000008 -0.000018 0Rh 1f+1 -0.000024 0.000009 0.000011 0.000008 0.000051 -0.000014 0Rh 1f-1 -0.000010 -0.000010 0.000004 -0.000003 -0.000006 -0.000004 0Rh 1f+2 -0.000021 -0.000016 0.000034 -0.000001 0.000004 0.000017 0Rh 1f-2 0.000016 0.000014 -0.000007 0.000014 0.000003 0.000017 0Rh 1f+3 -0.000026 -0.000008 0.000040 -0.000002 0.000041 0.000012 0Rh 1f-3 -0.000019 -0.000018 -0.000041 0.000025 0.000024 0.000001 1Rh 1s 0.000017 0.000001 -0.000017 -0.000001 -0.000019 -0.000001 1Rh 2s -0.000086 0.000008 0.000092 -0.000006 0.000100 -0.000008 1Rh 3s 0.000029 0.000008 -0.000025 -0.000007 -0.000034 -0.000010 1Rh 4s 0.000189 -0.000034 -0.000213 0.000027 -0.000221 0.000038 1Rh 5s -0.000145 0.000093 0.000180 -0.000079 0.000171 -0.000109 1Rh 6s 0.000146 -0.000220 -0.000184 0.000192 -0.000181 0.000264 1Rh 7s -0.000606 0.000860 0.000868 -0.000926 0.000734 -0.001007 1Rh 8s 0.000446 0.000197 -0.001238 -0.000185 -0.000488 -0.000302 1Rh 1pz -0.000048 0.000001 0.000003 0.000001 0.000094 -0.000003 1Rh 1px 0.000043 0.000002 -0.000030 -0.000002 -0.000045 -0.000004 1Rh 1py 0.000017 -0.000000 -0.000096 0.000004 -0.000017 -0.000001 1Rh 2pz 0.000119 -0.000004 -0.000011 -0.000005 -0.000226 0.000013 1Rh 2px -0.000117 -0.000013 0.000083 0.000012 0.000125 0.000019 1Rh 2py -0.000042 0.000001 0.000229 -0.000020 0.000043 0.000002 1Rh 3pz 0.000029 0.000015 0.000029 0.000033 -0.000111 -0.000076 1Rh 3px 0.000078 0.000088 -0.000065 -0.000079 -0.000115 -0.000123 1Rh 3py -0.000015 0.000002 0.000150 0.000117 -0.000016 -0.000015 1Rh 4pz -0.000070 -0.000017 -0.000037 -0.000090 0.000238 0.000151 1Rh 4px -0.000097 -0.000250 0.000075 0.000226 0.000154 0.000340 1Rh 4py 0.000042 -0.000013 -0.000301 -0.000255 0.000016 0.000045 1Rh 5pz 0.000135 -0.000030 0.000042 0.000112 -0.000420 -0.000082 1Rh 5px 0.000095 0.000340 -0.000055 -0.000310 -0.000182 -0.000446 1Rh 5py -0.000083 0.000036 0.000533 0.000202 -0.000002 -0.000064 1Rh 6pz -0.000617 0.000372 -0.000122 0.000375 0.001902 -0.001161 1Rh 6px -0.000073 0.000739 -0.000060 -0.000729 0.000448 -0.001043 1Rh 6py 0.000416 -0.000125 -0.002467 0.001446 -0.000224 -0.000081 1Rh 1dz2 0.064923 -0.000318 0.269967 0.001274 -0.426761 -0.001804 1Rh 1dxz -0.396825 0.002290 0.026414 0.000204 0.493446 0.002214 1Rh 1dyz 0.592566 -0.003014 0.328232 0.001192 0.388539 0.001577 1Rh 1dx2y2 0.018016 -0.000165 0.161174 0.000861 -0.198800 -0.000671 1Rh 1dxy 0.319975 -0.002166 -0.639611 -0.003195 -0.010342 -0.000200 1Rh 2dz2 0.023964 -0.000125 0.098857 0.000470 -0.155973 -0.000650 1Rh 2dxz -0.145091 0.000830 0.009727 0.000083 0.180404 0.000824 1Rh 2dyz 0.217335 -0.001120 0.120164 0.000435 0.142248 0.000576 1Rh 2dx2y2 0.006799 -0.000049 0.058852 0.000301 -0.072865 -0.000258 1Rh 2dxy 0.117258 -0.000792 -0.233624 -0.001175 -0.003771 -0.000079 1Rh 3dz2 0.004780 -0.000003 0.019283 0.000081 -0.030245 -0.000151 1Rh 3dxz -0.028335 0.000186 0.001922 -0.000006 0.035203 0.000113 1Rh 3dyz 0.042683 -0.000176 0.023510 0.000087 0.027778 0.000116 1Rh 3dx2y2 0.001453 -0.000047 0.011401 0.000096 -0.014241 -0.000015 1Rh 3dxy 0.023002 -0.000160 -0.045480 -0.000200 -0.000736 0.000003 1Rh 4dz2 -0.000844 -0.000036 -0.002231 0.000008 0.002970 0.000039 1Rh 4dxz 0.003241 -0.000072 -0.000295 0.000031 -0.004045 0.000104 1Rh 4dyz -0.005470 -0.000086 -0.002833 -0.000008 -0.003181 -0.000020 1Rh 4dx2y2 -0.000551 0.000060 -0.001072 -0.000063 0.001705 -0.000042 1Rh 4dxy -0.002920 0.000021 0.004902 -0.000076 0.000093 -0.000031 1Rh 5dz2 0.001180 -0.000047 0.001564 0.000060 -0.001069 0.000190 1Rh 5dxz -0.002121 0.000036 0.000332 0.000096 0.002647 -0.000242 1Rh 5dyz 0.004927 0.000272 0.002170 -0.000012 0.002178 0.000011 1Rh 5dx2y2 0.001107 0.000151 0.000305 -0.000145 -0.001299 -0.000241 1Rh 5dxy 0.002548 0.000069 -0.002588 0.000379 -0.000059 -0.000047 1Rh 1f0 0.000007 0.000004 -0.000011 -0.000008 -0.000018 0.000008 1Rh 1f+1 0.000009 -0.000024 0.000008 0.000011 -0.000014 0.000051 1Rh 1f-1 -0.000010 -0.000010 -0.000002 0.000004 -0.000004 -0.000006 1Rh 1f+2 -0.000017 -0.000020 -0.000001 0.000034 0.000017 0.000004 1Rh 1f-2 0.000014 0.000016 0.000013 -0.000007 0.000017 0.000003 1Rh 1f+3 -0.000008 -0.000026 -0.000002 0.000039 0.000012 0.000040 1Rh 1f-3 -0.000018 -0.000018 0.000026 -0.000040 0.000001 0.000023 2C 1s 0.000000 -0.000000 0.000001 0.000001 -0.000001 -0.000001 2C 2s 0.000000 0.000002 -0.000003 -0.000003 0.000006 0.000005 2C 3s -0.000438 0.000305 -0.000258 -0.000173 0.000197 0.000267 2C 4s 0.002630 -0.001799 0.001720 0.001153 -0.001308 -0.001833 2C 5s -0.001316 -0.000619 -0.002465 -0.001714 0.002211 0.002233 2C 1pz -0.000041 0.000030 -0.000015 -0.000010 0.000023 0.000016 2C 1px -0.000015 -0.000008 -0.000009 -0.000008 0.000015 -0.000002 2C 1py -0.000034 0.000033 -0.000012 -0.000022 0.000003 0.000015 2C 2pz 0.001407 -0.000848 0.000882 0.000706 -0.000781 -0.000943 2C 2px 0.000315 -0.000137 0.000211 0.000093 -0.000387 -0.000186 2C 2py 0.000961 -0.000696 0.000582 0.000542 -0.000484 -0.000662 2C 3pz -0.000106 -0.000301 -0.000504 -0.000440 0.000273 0.000406 2C 3px 0.000147 -0.000106 -0.000110 -0.000007 0.000506 0.000047 2C 3py -0.000073 -0.000105 -0.000166 -0.000165 0.000464 0.000375 2C 1dz2 0.000032 -0.000015 0.000025 0.000032 0.000003 -0.000017 2C 1dxz 0.000005 -0.000018 0.000008 0.000002 -0.000020 -0.000014 2C 1dyz 0.000040 -0.000027 0.000022 0.000008 -0.000024 -0.000031 2C 1dx2y2 -0.000015 -0.000006 -0.000005 -0.000012 0.000011 0.000012 2C 1dxy 0.000004 -0.000015 0.000006 -0.000007 -0.000009 -0.000002 2C 2dz2 0.000294 -0.000184 0.000173 0.000120 -0.000270 -0.000228 2C 2dxz 0.000177 -0.000076 0.000103 0.000051 -0.000030 -0.000050 2C 2dyz 0.000527 -0.000301 0.000346 0.000324 -0.000309 -0.000346 2C 2dx2y2 -0.000130 0.000142 -0.000103 -0.000083 -0.000011 0.000098 2C 2dxy 0.000138 -0.000014 0.000073 0.000049 -0.000080 -0.000065 2C 1f0 0.000007 -0.000006 0.000005 0.000009 -0.000022 -0.000015 2C 1f+1 0.000026 -0.000007 0.000025 0.000007 -0.000031 -0.000012 2C 1f-1 0.000080 -0.000053 0.000050 0.000037 -0.000035 -0.000054 2C 1f+2 -0.000045 0.000036 -0.000030 -0.000032 0.000024 0.000041 2C 1f-2 0.000034 -0.000028 0.000025 0.000007 -0.000028 -0.000012 2C 1f+3 0.000013 -0.000003 0.000007 0.000003 -0.000011 -0.000000 2C 1f-3 0.000008 -0.000006 0.000006 0.000013 -0.000009 -0.000016 3C 1s 0.000000 0.000001 -0.000001 -0.000001 -0.000000 -0.000001 3C 2s -0.000003 -0.000005 0.000005 0.000004 0.000002 0.000005 3C 3s 0.000201 -0.000374 0.000373 0.000130 0.000311 0.000012 3C 4s -0.001178 0.002396 -0.002435 -0.000971 -0.001928 -0.000275 3C 5s 0.000046 -0.001139 0.002673 0.002752 0.001504 0.001535 3C 1pz 0.000018 -0.000033 0.000009 -0.000005 0.000023 -0.000007 3C 1px 0.000012 -0.000000 0.000019 0.000000 0.000013 -0.000003 3C 1py -0.000010 0.000025 -0.000039 -0.000006 -0.000028 0.000001 3C 2pz -0.000428 0.000774 -0.000683 -0.000247 -0.000623 -0.000072 3C 2px -0.000098 0.000479 -0.000665 -0.000163 -0.000474 -0.000060 3C 2py 0.000512 -0.001118 0.001420 0.000562 0.001068 0.000218 3C 3pz 0.000201 -0.000178 0.000288 0.000361 -0.000081 0.000142 3C 3px -0.000453 -0.000112 0.000525 0.000145 0.000103 0.000074 3C 3py 0.000139 0.000058 -0.000395 -0.000586 -0.000319 -0.000491 3C 1dz2 0.000003 -0.000019 -0.000002 -0.000010 0.000015 0.000006 3C 1dxz -0.000000 0.000010 -0.000020 -0.000010 -0.000009 -0.000005 3C 1dyz 0.000026 -0.000028 0.000033 0.000014 0.000017 0.000004 3C 1dx2y2 0.000022 -0.000015 0.000019 0.000016 0.000022 0.000009 3C 1dxy -0.000012 -0.000038 0.000033 0.000003 0.000022 -0.000002 3C 2dz2 0.000024 -0.000021 0.000179 0.000082 0.000013 0.000012 3C 2dxz -0.000106 0.000130 -0.000098 -0.000035 -0.000143 -0.000000 3C 2dyz 0.000093 -0.000352 0.000481 0.000219 0.000418 0.000074 3C 2dx2y2 0.000106 -0.000296 0.000310 0.000103 0.000174 0.000046 3C 2dxy 0.000177 -0.000186 0.000264 0.000088 0.000224 0.000051 3C 1f0 0.000024 -0.000039 0.000040 0.000010 0.000021 0.000006 3C 1f+1 0.000008 0.000010 -0.000007 -0.000006 -0.000012 0.000001 3C 1f-1 0.000009 -0.000007 -0.000006 0.000008 0.000018 -0.000002 3C 1f+2 0.000027 -0.000057 0.000042 0.000027 0.000036 0.000008 3C 1f-2 0.000014 -0.000045 0.000056 0.000017 0.000047 0.000003 3C 1f+3 -0.000015 0.000034 -0.000053 -0.000017 -0.000045 -0.000006 3C 1f-3 0.000001 -0.000022 0.000029 0.000023 0.000011 0.000013 4C 1s 0.000005 -0.000004 0.000003 0.000001 -0.000002 -0.000003 4C 2s -0.000031 0.000026 -0.000017 -0.000008 0.000013 0.000017 4C 3s 0.000893 -0.000720 0.000340 0.000244 -0.000410 -0.000286 4C 4s -0.003538 0.002880 -0.001002 -0.000932 0.001652 0.000614 4C 5s -0.000052 0.001086 0.001305 0.000423 -0.000762 -0.001358 4C 1pz -0.000035 0.000032 -0.000054 -0.000024 0.000036 0.000056 4C 1px -0.000039 -0.000038 0.000007 -0.000028 -0.000012 0.000041 4C 1py -0.000028 0.000004 -0.000038 -0.000027 0.000018 0.000036 4C 2pz 0.000985 -0.000609 0.001108 0.000757 -0.000540 -0.001100 4C 2px 0.000466 0.000095 -0.000011 -0.000044 -0.000419 -0.000635 4C 2py 0.000722 -0.000292 0.000669 0.000400 -0.000520 -0.000835 4C 3pz -0.000301 -0.000937 -0.001030 -0.001284 0.002126 0.000915 4C 3px 0.000512 0.000262 0.000028 -0.000532 -0.000022 0.000283 4C 3py -0.000031 -0.000350 -0.000796 -0.001198 0.001027 0.000629 4C 1dz2 0.000042 -0.000039 0.000037 0.000033 -0.000025 -0.000027 4C 1dxz 0.000020 -0.000011 0.000001 0.000027 0.000005 -0.000029 4C 1dyz 0.000055 -0.000022 0.000048 0.000023 -0.000043 -0.000050 4C 1dx2y2 -0.000023 0.000014 -0.000009 -0.000014 0.000048 0.000009 4C 1dxy -0.000002 -0.000010 -0.000001 0.000021 -0.000003 -0.000034 4C 2dz2 -0.000458 0.000332 -0.000295 -0.000307 0.000456 0.000483 4C 2dxz -0.000055 -0.000067 -0.000261 -0.000364 -0.000168 0.000142 4C 2dyz -0.000859 0.000497 -0.000585 -0.000411 0.000579 0.000599 4C 2dx2y2 -0.000037 0.000110 0.000104 0.000214 -0.000281 -0.000219 4C 2dxy -0.000272 0.000260 -0.000105 -0.000331 0.000044 0.000038 4C 1f0 0.000077 -0.000026 0.000047 -0.000002 -0.000004 -0.000006 4C 1f+1 0.000088 -0.000115 0.000009 0.000041 -0.000038 -0.000054 4C 1f-1 0.000082 -0.000058 0.000039 0.000050 -0.000033 -0.000032 4C 1f+2 -0.000124 0.000066 -0.000053 0.000005 0.000061 0.000026 4C 1f-2 0.000004 -0.000021 0.000006 -0.000013 -0.000021 -0.000031 4C 1f+3 -0.000018 -0.000007 -0.000005 -0.000000 0.000051 -0.000029 4C 1f-3 0.000059 -0.000055 0.000032 0.000020 -0.000014 -0.000006 5C 1s -0.000002 0.000004 -0.000004 -0.000001 -0.000003 0.000000 5C 2s 0.000015 -0.000028 0.000025 0.000006 0.000021 -0.000001 5C 3s -0.000405 0.000632 -0.000687 -0.000086 -0.000519 0.000057 5C 4s 0.001536 -0.002111 0.002563 0.000030 0.001940 -0.000442 5C 5s 0.000455 0.000206 -0.000662 -0.001717 -0.000604 -0.000685 5C 1pz -0.000003 -0.000036 0.000032 0.000008 0.000023 0.000016 5C 1px 0.000038 -0.000009 0.000009 0.000049 0.000012 0.000041 5C 1py -0.000015 0.000062 -0.000058 -0.000039 -0.000038 -0.000018 5C 2pz -0.000267 0.000600 -0.000662 -0.000379 -0.000468 -0.000218 5C 2px -0.000029 0.000676 -0.000649 -0.000477 -0.000501 -0.000379 5C 2py 0.000460 -0.001163 0.001182 0.000739 0.000939 0.000361 5C 3pz -0.000483 0.000089 0.001142 0.000915 0.000772 0.000763 5C 3px -0.000430 -0.000366 -0.000097 0.000551 -0.000033 0.000543 5C 3py 0.000878 -0.000124 -0.001974 -0.001636 -0.000649 -0.001189 5C 1dz2 0.000010 -0.000027 -0.000008 0.000007 0.000008 0.000002 5C 1dxz 0.000004 0.000022 -0.000035 -0.000020 0.000007 -0.000004 5C 1dyz 0.000016 -0.000047 0.000072 0.000026 0.000030 0.000021 5C 1dx2y2 0.000009 -0.000030 0.000052 0.000008 0.000055 0.000001 5C 1dxy 0.000019 -0.000033 0.000020 0.000034 0.000027 0.000021 5C 2dz2 -0.000275 0.000231 -0.000175 0.000005 -0.000106 0.000030 5C 2dxz 0.000015 -0.000052 0.000282 0.000161 -0.000004 0.000100 5C 2dyz -0.000193 0.000751 -0.000942 -0.000284 -0.000605 -0.000158 5C 2dx2y2 0.000169 0.000404 -0.000532 -0.000280 -0.000545 -0.000149 5C 2dxy -0.000304 0.000125 -0.000282 -0.000311 -0.000358 -0.000054 5C 1f0 0.000008 -0.000005 -0.000023 0.000028 0.000024 -0.000006 5C 1f+1 -0.000032 0.000023 -0.000015 -0.000011 -0.000016 -0.000007 5C 1f-1 0.000019 0.000007 0.000019 -0.000004 -0.000014 -0.000003 5C 1f+2 0.000032 -0.000016 0.000076 -0.000008 0.000033 0.000007 5C 1f-2 0.000027 -0.000091 0.000080 0.000014 0.000072 -0.000002 5C 1f+3 -0.000043 0.000116 -0.000065 -0.000015 -0.000018 -0.000009 5C 1f-3 0.000085 -0.000051 0.000073 0.000002 0.000075 -0.000024 6C 1s -0.000004 0.000003 0.000001 0.000004 -0.000000 0.000003 6C 2s 0.000028 -0.000015 -0.000006 -0.000025 0.000001 -0.000021 6C 3s -0.000625 0.000408 0.000083 0.000689 -0.000067 0.000518 6C 4s 0.002079 -0.001546 -0.000012 -0.002559 0.000483 -0.001930 6C 5s -0.000198 -0.000458 0.001716 0.000690 0.000685 0.000621 6C 1pz -0.000036 -0.000003 0.000008 0.000032 0.000016 0.000024 6C 1px -0.000008 0.000038 0.000049 0.000009 0.000041 0.000012 6C 1py 0.000061 -0.000015 -0.000039 -0.000058 -0.000017 -0.000039 6C 2pz 0.000593 -0.000268 -0.000375 -0.000674 -0.000209 -0.000473 6C 2px 0.000678 -0.000035 -0.000484 -0.000648 -0.000381 -0.000502 6C 2py -0.001151 0.000464 0.000735 0.001200 0.000346 0.000946 6C 3pz 0.000093 -0.000489 0.000898 0.001139 0.000754 0.000786 6C 3px -0.000362 -0.000425 0.000548 -0.000095 0.000531 -0.000022 6C 3py -0.000132 0.000889 -0.001611 -0.001975 -0.001175 -0.000671 6C 1dz2 0.000027 -0.000010 -0.000007 0.000008 -0.000002 -0.000009 6C 1dxz -0.000022 -0.000003 0.000020 0.000035 0.000004 -0.000007 6C 1dyz 0.000046 -0.000016 -0.000026 -0.000073 -0.000021 -0.000031 6C 1dx2y2 0.000030 -0.000009 -0.000008 -0.000052 0.000000 -0.000055 6C 1dxy 0.000032 -0.000019 -0.000034 -0.000020 -0.000021 -0.000027 6C 2dz2 -0.000226 0.000276 -0.000008 0.000177 -0.000034 0.000106 6C 2dxz 0.000050 -0.000012 -0.000157 -0.000287 -0.000097 0.000003 6C 2dyz -0.000746 0.000196 0.000281 0.000945 0.000149 0.000606 6C 2dx2y2 -0.000405 -0.000167 0.000279 0.000535 0.000143 0.000545 6C 2dxy -0.000118 0.000303 0.000307 0.000292 0.000045 0.000361 6C 1f0 -0.000004 0.000009 0.000028 -0.000022 -0.000007 0.000024 6C 1f+1 0.000022 -0.000032 -0.000011 -0.000015 -0.000006 -0.000016 6C 1f-1 0.000008 0.000019 -0.000005 0.000019 -0.000003 -0.000014 6C 1f+2 -0.000016 0.000031 -0.000009 0.000076 0.000007 0.000033 6C 1f-2 -0.000091 0.000027 0.000014 0.000080 -0.000003 0.000072 6C 1f+3 0.000115 -0.000044 -0.000015 -0.000066 -0.000008 -0.000018 6C 1f-3 -0.000050 0.000085 0.000001 0.000073 -0.000025 0.000075 7C 1s 0.000004 -0.000005 -0.000001 -0.000003 0.000003 0.000002 7C 2s -0.000026 0.000032 0.000008 0.000017 -0.000017 -0.000013 7C 3s 0.000711 -0.000898 -0.000246 -0.000348 0.000279 0.000410 7C 4s -0.002845 0.003563 0.000942 0.001037 -0.000581 -0.001646 7C 5s -0.001093 0.000069 -0.000412 -0.001312 0.001348 0.000785 7C 1pz 0.000031 -0.000035 -0.000024 -0.000054 0.000056 0.000036 7C 1px -0.000039 -0.000038 -0.000028 0.000007 0.000041 -0.000012 7C 1py 0.000004 -0.000028 -0.000027 -0.000038 0.000036 0.000018 7C 2pz -0.000592 0.000983 0.000751 0.001115 -0.001090 -0.000556 7C 2px 0.000107 0.000465 -0.000042 -0.000011 -0.000637 -0.000418 7C 2py -0.000280 0.000725 0.000401 0.000678 -0.000835 -0.000533 7C 3pz -0.000953 -0.000288 -0.001263 -0.001041 0.000888 0.002128 7C 3px 0.000272 0.000509 -0.000532 0.000030 0.000273 -0.000018 7C 3py -0.000359 -0.000025 -0.001187 -0.000806 0.000615 0.001031 7C 1dz2 0.000038 -0.000043 -0.000033 -0.000037 0.000027 0.000025 7C 1dxz 0.000011 -0.000021 -0.000027 -0.000001 0.000029 -0.000005 7C 1dyz 0.000022 -0.000055 -0.000023 -0.000048 0.000050 0.000043 7C 1dx2y2 -0.000014 0.000023 0.000014 0.000009 -0.000009 -0.000048 7C 1dxy 0.000009 0.000002 -0.000021 0.000001 0.000034 0.000004 7C 2dz2 -0.000322 0.000457 0.000305 0.000297 -0.000479 -0.000457 7C 2dxz 0.000069 0.000051 0.000361 0.000263 -0.000141 0.000163 7C 2dyz -0.000488 0.000862 0.000413 0.000594 -0.000593 -0.000585 7C 2dx2y2 -0.000110 0.000037 -0.000214 -0.000106 0.000219 0.000286 7C 2dxy -0.000257 0.000274 0.000331 0.000110 -0.000034 -0.000046 7C 1f0 -0.000025 0.000076 -0.000003 0.000047 -0.000005 -0.000003 7C 1f+1 -0.000114 0.000089 0.000041 0.000010 -0.000053 -0.000038 7C 1f-1 -0.000057 0.000083 0.000050 0.000040 -0.000031 -0.000034 7C 1f+2 0.000065 -0.000125 0.000005 -0.000053 0.000026 0.000061 7C 1f-2 -0.000021 0.000004 -0.000013 0.000006 -0.000031 -0.000021 7C 1f+3 -0.000007 -0.000018 0.000000 -0.000005 -0.000029 0.000050 7C 1f-3 -0.000055 0.000059 0.000020 0.000033 -0.000006 -0.000014 8C 1s -0.000001 -0.000000 0.000001 0.000001 0.000001 0.000000 8C 2s 0.000005 0.000003 -0.000004 -0.000005 -0.000005 -0.000002 8C 3s 0.000369 -0.000202 -0.000129 -0.000377 -0.000007 -0.000311 8C 4s -0.002370 0.001187 0.000962 0.002458 0.000243 0.001932 8C 5s 0.001105 -0.000045 -0.002727 -0.002700 -0.001517 -0.001539 8C 1pz -0.000033 0.000018 -0.000004 0.000009 -0.000007 0.000023 8C 1px -0.000000 0.000012 -0.000000 0.000019 -0.000003 0.000013 8C 1py 0.000025 -0.000010 -0.000006 -0.000039 0.000001 -0.000028 8C 2pz 0.000766 -0.000431 -0.000245 -0.000691 -0.000062 -0.000623 8C 2px 0.000475 -0.000098 -0.000161 -0.000669 -0.000054 -0.000476 8C 2py -0.001106 0.000516 0.000555 0.001431 0.000199 0.001069 8C 3pz -0.000171 0.000198 0.000360 0.000295 0.000141 -0.000078 8C 3px -0.000112 -0.000459 0.000143 0.000523 0.000076 0.000107 8C 3py 0.000055 0.000137 -0.000581 -0.000398 -0.000486 -0.000329 8C 1dz2 0.000019 -0.000003 0.000010 0.000002 -0.000006 -0.000015 8C 1dxz -0.000010 0.000000 0.000010 0.000020 0.000005 0.000009 8C 1dyz 0.000028 -0.000026 -0.000014 -0.000034 -0.000004 -0.000017 8C 1dx2y2 0.000014 -0.000022 -0.000016 -0.000020 -0.000008 -0.000023 8C 1dxy 0.000038 0.000011 -0.000003 -0.000033 0.000002 -0.000022 8C 2dz2 0.000020 -0.000023 -0.000081 -0.000180 -0.000011 -0.000013 8C 2dxz -0.000128 0.000107 0.000035 0.000100 -0.000002 0.000142 8C 2dyz 0.000348 -0.000095 -0.000216 -0.000484 -0.000067 -0.000419 8C 2dx2y2 0.000292 -0.000106 -0.000103 -0.000313 -0.000042 -0.000175 8C 2dxy 0.000183 -0.000178 -0.000086 -0.000266 -0.000047 -0.000224 8C 1f0 -0.000038 0.000024 0.000010 0.000040 0.000006 0.000021 8C 1f+1 0.000010 0.000008 -0.000006 -0.000007 0.000001 -0.000012 8C 1f-1 -0.000006 0.000009 0.000008 -0.000006 -0.000002 0.000018 8C 1f+2 -0.000056 0.000027 0.000027 0.000042 0.000008 0.000037 8C 1f-2 -0.000045 0.000014 0.000016 0.000056 0.000002 0.000047 8C 1f+3 0.000034 -0.000015 -0.000017 -0.000054 -0.000005 -0.000045 8C 1f-3 -0.000022 0.000001 0.000023 0.000029 0.000013 0.000011 9C 1s 0.000001 -0.000000 -0.000001 -0.000001 0.000001 0.000001 9C 2s -0.000002 -0.000000 0.000003 0.000003 -0.000005 -0.000006 9C 3s -0.000299 0.000439 0.000173 0.000262 -0.000263 -0.000201 9C 4s 0.001763 -0.002637 -0.001154 -0.001744 0.001813 0.001331 9C 5s 0.000657 0.001301 0.001687 0.002495 -0.002192 -0.002241 9C 1pz 0.000029 -0.000042 -0.000010 -0.000015 0.000016 0.000023 9C 1px -0.000009 -0.000015 -0.000008 -0.000009 -0.000003 0.000015 9C 1py 0.000032 -0.000034 -0.000022 -0.000012 0.000015 0.000004 9C 2pz -0.000827 0.001408 0.000703 0.000893 -0.000929 -0.000788 9C 2px -0.000130 0.000313 0.000090 0.000212 -0.000181 -0.000385 9C 2py -0.000683 0.000970 0.000548 0.000595 -0.000660 -0.000499 9C 3pz -0.000302 -0.000104 -0.000432 -0.000509 0.000400 0.000272 9C 3px -0.000110 0.000149 -0.000000 -0.000109 0.000042 0.000499 9C 3py -0.000114 -0.000068 -0.000167 -0.000170 0.000371 0.000476 9C 1dz2 0.000014 -0.000031 -0.000031 -0.000025 0.000017 -0.000002 9C 1dxz 0.000018 -0.000006 -0.000002 -0.000008 0.000013 0.000019 9C 1dyz 0.000027 -0.000040 -0.000008 -0.000022 0.000031 0.000025 9C 1dx2y2 0.000006 0.000015 0.000012 0.000005 -0.000012 -0.000011 9C 1dxy 0.000015 -0.000004 0.000007 -0.000005 0.000002 0.000009 9C 2dz2 0.000177 -0.000292 -0.000119 -0.000174 0.000223 0.000273 9C 2dxz 0.000074 -0.000175 -0.000050 -0.000103 0.000048 0.000031 9C 2dyz 0.000294 -0.000530 -0.000325 -0.000353 0.000343 0.000313 9C 2dx2y2 -0.000141 0.000133 0.000083 0.000105 -0.000100 0.000009 9C 2dxy 0.000012 -0.000139 -0.000048 -0.000074 0.000063 0.000080 9C 1f0 -0.000006 0.000007 0.000009 0.000004 -0.000014 -0.000022 9C 1f+1 -0.000007 0.000026 0.000007 0.000025 -0.000012 -0.000031 9C 1f-1 -0.000052 0.000080 0.000037 0.000051 -0.000053 -0.000036 9C 1f+2 0.000036 -0.000046 -0.000032 -0.000031 0.000041 0.000025 9C 1f-2 -0.000027 0.000034 0.000007 0.000025 -0.000012 -0.000028 9C 1f+3 -0.000003 0.000013 0.000003 0.000007 0.000000 -0.000011 9C 1f-3 -0.000006 0.000009 0.000013 0.000006 -0.000016 -0.000009 10H 1s -0.000005 -0.000011 -0.000007 -0.000015 0.000015 0.000012 10H 2s 0.000019 0.000024 0.000021 0.000042 0.000148 -0.000002 10H 3s 0.000056 -0.000013 0.000205 0.000056 -0.000433 -0.000151 10H 1pz -0.000027 0.000015 -0.000019 -0.000000 0.000028 0.000016 10H 1px -0.000007 -0.000010 0.000004 -0.000001 -0.000034 -0.000011 10H 1py -0.000016 0.000006 -0.000011 0.000001 0.000018 0.000012 11H 1s -0.000010 0.000005 0.000000 0.000010 -0.000016 0.000001 11H 2s 0.000102 0.000104 0.000039 -0.000016 -0.000071 -0.000045 11H 3s 0.000314 -0.000197 0.000182 0.000071 -0.000008 -0.000234 11H 1pz -0.000006 0.000033 -0.000016 -0.000030 0.000006 0.000021 11H 1px -0.000002 0.000025 -0.000002 0.000004 -0.000018 0.000005 11H 1py -0.000006 -0.000001 -0.000013 -0.000015 0.000010 0.000012 12H 1s -0.000006 -0.000000 -0.000008 0.000002 -0.000009 0.000005 12H 2s 0.000079 0.000008 0.000044 0.000047 -0.000051 -0.000033 12H 3s 0.000288 0.000032 0.000315 0.000057 0.000146 -0.000120 12H 1pz -0.000002 0.000011 -0.000004 -0.000010 0.000032 0.000019 12H 1px -0.000001 0.000012 -0.000002 0.000010 -0.000018 0.000003 12H 1py -0.000005 0.000009 -0.000011 -0.000004 0.000011 0.000015 13H 1s -0.000007 0.000002 0.000015 0.000013 0.000010 0.000006 13H 2s -0.000138 -0.000006 0.000098 0.000018 0.000035 -0.000004 13H 3s 0.000248 0.000148 -0.000368 -0.000168 -0.000196 -0.000030 13H 1pz -0.000018 -0.000020 0.000038 0.000016 0.000018 0.000004 13H 1px 0.000026 0.000010 -0.000011 -0.000001 -0.000006 0.000001 13H 1py -0.000011 0.000018 -0.000032 -0.000008 -0.000016 -0.000006 14H 1s 0.000008 -0.000003 0.000002 0.000006 0.000006 -0.000002 14H 2s -0.000041 0.000046 -0.000086 -0.000000 -0.000030 -0.000023 14H 3s -0.000291 0.000038 0.000009 -0.000238 -0.000250 -0.000112 14H 1pz -0.000009 -0.000005 0.000021 0.000019 0.000007 0.000007 14H 1px 0.000011 -0.000014 -0.000009 0.000008 0.000003 0.000001 14H 1py 0.000009 0.000024 -0.000023 -0.000010 0.000004 -0.000005 15H 1s 0.000026 -0.000011 -0.000007 -0.000006 -0.000008 -0.000005 15H 2s -0.000006 -0.000064 -0.000136 -0.000101 -0.000080 -0.000013 15H 3s -0.000394 0.000334 -0.000148 -0.000137 0.000003 0.000043 15H 1pz -0.000022 0.000008 0.000021 0.000017 0.000030 0.000011 15H 1px 0.000010 -0.000015 -0.000004 -0.000001 0.000006 -0.000001 15H 1py -0.000004 0.000042 -0.000003 -0.000001 -0.000018 -0.000007 16H 1s 0.000002 -0.000021 -0.000001 -0.000023 -0.000008 -0.000020 16H 2s -0.000044 -0.000278 -0.000007 -0.000141 0.000046 0.000332 16H 3s 0.000004 -0.000134 0.000031 -0.000271 -0.000106 0.000270 16H 1pz -0.000007 -0.000063 0.000002 -0.000052 0.000000 0.000046 16H 1px -0.000000 0.000050 -0.000013 0.000020 0.000014 -0.000097 16H 1py -0.000002 -0.000002 -0.000003 0.000015 0.000003 0.000005 17H 1s 0.000005 0.000069 -0.000001 -0.000001 0.000001 -0.000022 17H 2s -0.000019 -0.000143 0.000002 -0.000126 0.000014 0.000111 17H 3s -0.000013 0.000227 0.000051 -0.000245 0.000076 -0.000336 17H 1pz -0.000001 0.000010 0.000007 0.000019 0.000003 -0.000032 17H 1px 0.000012 -0.000004 -0.000015 0.000043 -0.000023 0.000018 17H 1py 0.000001 0.000005 -0.000001 0.000012 0.000000 -0.000004 18H 1s -0.000069 -0.000004 0.000002 0.000001 0.000022 -0.000001 18H 2s 0.000149 0.000019 0.000120 -0.000002 -0.000113 -0.000017 18H 3s -0.000226 0.000017 0.000238 -0.000047 0.000341 -0.000074 18H 1pz 0.000010 -0.000001 0.000019 0.000007 -0.000033 0.000003 18H 1px -0.000002 0.000012 0.000040 -0.000014 0.000018 -0.000024 18H 1py 0.000004 0.000000 0.000013 -0.000001 -0.000004 0.000000 19H 1s 0.000022 -0.000002 0.000023 0.000001 0.000021 0.000008 19H 2s 0.000277 0.000042 0.000143 0.000008 -0.000338 -0.000052 19H 3s 0.000133 -0.000005 0.000282 -0.000030 -0.000266 0.000101 19H 1pz -0.000061 -0.000007 -0.000053 0.000002 0.000047 0.000001 19H 1px 0.000050 -0.000000 0.000023 -0.000013 -0.000097 0.000013 19H 1py -0.000004 -0.000002 0.000014 -0.000003 0.000006 0.000003 20H 1s 0.000010 -0.000026 0.000006 0.000006 0.000005 0.000008 20H 2s 0.000066 0.000007 0.000099 0.000136 0.000012 0.000081 20H 3s -0.000325 0.000396 0.000138 0.000153 -0.000043 -0.000003 20H 1pz 0.000007 -0.000022 0.000017 0.000021 0.000010 0.000030 20H 1px -0.000015 0.000010 -0.000001 -0.000004 -0.000001 0.000006 20H 1py 0.000042 -0.000004 -0.000001 -0.000003 -0.000006 -0.000018 21H 1s 0.000003 -0.000008 -0.000006 -0.000001 0.000002 -0.000006 21H 2s -0.000045 0.000041 -0.000000 0.000088 0.000024 0.000031 21H 3s -0.000034 0.000295 0.000237 -0.000005 0.000108 0.000253 21H 1pz -0.000005 -0.000009 0.000019 0.000021 0.000007 0.000007 21H 1px -0.000014 0.000011 0.000008 -0.000009 0.000001 0.000003 21H 1py 0.000024 0.000009 -0.000010 -0.000023 -0.000005 0.000003 22H 1s -0.000002 0.000007 -0.000013 -0.000015 -0.000006 -0.000010 22H 2s 0.000009 0.000139 -0.000017 -0.000097 0.000004 -0.000036 22H 3s -0.000146 -0.000250 0.000166 0.000369 0.000029 0.000199 22H 1pz -0.000020 -0.000017 0.000015 0.000037 0.000004 0.000018 22H 1px 0.000010 0.000026 -0.000001 -0.000011 0.000001 -0.000006 22H 1py 0.000019 -0.000010 -0.000008 -0.000032 -0.000006 -0.000017 23H 1s 0.000000 0.000006 -0.000002 0.000008 -0.000005 0.000010 23H 2s -0.000012 -0.000079 -0.000049 -0.000046 0.000033 0.000053 23H 3s -0.000032 -0.000289 -0.000052 -0.000318 0.000118 -0.000145 23H 1pz 0.000010 -0.000002 -0.000010 -0.000004 0.000018 0.000033 23H 1px 0.000012 -0.000001 0.000010 -0.000002 0.000003 -0.000018 23H 1py 0.000010 -0.000004 -0.000004 -0.000011 0.000015 0.000010 24H 1s -0.000004 0.000010 -0.000010 -0.000000 -0.000001 0.000016 24H 2s -0.000106 -0.000102 0.000020 -0.000040 0.000044 0.000068 24H 3s 0.000189 -0.000314 -0.000076 -0.000186 0.000231 0.000018 24H 1pz 0.000033 -0.000006 -0.000031 -0.000016 0.000022 0.000007 24H 1px 0.000025 -0.000002 0.000003 -0.000002 0.000005 -0.000018 24H 1py -0.000001 -0.000006 -0.000014 -0.000013 0.000012 0.000009 25H 1s 0.000011 0.000004 0.000015 0.000008 -0.000012 -0.000016 25H 2s -0.000025 -0.000019 -0.000041 -0.000021 0.000003 -0.000146 25H 3s 0.000007 -0.000055 -0.000051 -0.000207 0.000145 0.000433 25H 1pz 0.000015 -0.000027 -0.000000 -0.000020 0.000016 0.000029 25H 1px -0.000010 -0.000007 -0.000001 0.000004 -0.000010 -0.000034 25H 1py 0.000006 -0.000016 0.000001 -0.000011 0.000012 0.000017 26O 1s -0.000001 -0.000001 -0.000000 -0.000000 -0.000000 -0.000000 26O 2s 0.000014 0.000003 0.000004 0.000003 0.000005 -0.000003 26O 3s -0.000161 -0.000068 -0.000044 -0.000079 -0.000073 -0.000027 26O 4s 0.000384 -0.000047 0.000043 0.000124 0.000515 -0.000087 26O 5s 0.000389 0.000170 0.000399 0.000910 -0.001225 0.002014 26O 1pz -0.000034 -0.000017 -0.000020 0.000001 0.000015 -0.000022 26O 1px 0.000022 -0.000019 0.000025 -0.000002 -0.000022 0.000027 26O 1py -0.000002 -0.000007 -0.000007 -0.000009 0.000015 0.000003 26O 2pz 0.000143 0.000247 0.000085 0.000100 -0.000047 0.000166 26O 2px -0.000242 0.000273 -0.000155 -0.000064 0.000037 -0.000129 26O 2py -0.000054 0.000236 0.000018 0.000053 -0.000081 0.000041 26O 3pz 0.000192 0.001170 0.000383 0.000504 -0.000515 0.000520 26O 3px -0.000064 0.000795 0.000266 0.000031 0.000049 -0.000443 26O 3py 0.000232 0.000670 0.000047 0.000767 -0.000462 0.000051 26O 1dz2 -0.000013 -0.000005 -0.000019 0.000026 0.000007 -0.000007 26O 1dxz 0.000013 -0.000006 0.000011 -0.000007 -0.000015 0.000000 26O 1dyz -0.000013 0.000010 0.000003 -0.000013 0.000014 0.000012 26O 1dx2y2 0.000002 -0.000023 0.000001 -0.000008 -0.000003 -0.000021 26O 1dxy 0.000009 -0.000024 0.000003 0.000005 -0.000018 0.000009 26O 2dz2 0.000016 0.000152 0.000058 -0.000086 -0.000031 0.000095 26O 2dxz -0.000078 0.000068 -0.000073 0.000053 0.000071 0.000028 26O 2dyz 0.000058 0.000091 -0.000013 0.000112 -0.000056 0.000043 26O 2dx2y2 0.000053 -0.000012 0.000019 0.000045 -0.000021 0.000066 26O 2dxy 0.000009 0.000064 0.000000 0.000023 0.000089 -0.000012 26O 1f0 -0.000008 -0.000005 -0.000003 -0.000030 -0.000002 0.000016 26O 1f+1 0.000006 -0.000002 0.000001 0.000015 0.000000 0.000012 26O 1f-1 0.000002 -0.000000 0.000000 -0.000013 0.000002 0.000002 26O 1f+2 0.000010 0.000021 0.000009 0.000006 0.000003 0.000003 26O 1f-2 0.000003 0.000024 0.000001 0.000014 0.000007 -0.000012 26O 1f+3 0.000009 0.000006 0.000002 0.000014 -0.000011 -0.000011 26O 1f-3 0.000006 -0.000025 0.000004 -0.000004 -0.000003 0.000003 27O 1s 0.000001 0.000001 0.000000 0.000000 0.000000 0.000000 27O 2s -0.000016 -0.000002 -0.000004 -0.000005 -0.000002 -0.000003 27O 3s 0.000197 0.000112 0.000033 0.000047 0.000012 0.000010 27O 4s -0.000764 0.000058 0.000164 -0.000161 0.000171 -0.000042 27O 5s 0.000484 -0.002234 -0.000930 0.000868 -0.000562 0.000710 27O 1pz -0.000001 0.000016 0.000026 -0.000010 0.000007 -0.000012 27O 1px -0.000012 -0.000012 -0.000023 0.000021 -0.000017 0.000021 27O 1py -0.000011 -0.000034 -0.000026 0.000006 -0.000029 0.000004 27O 2pz -0.000021 -0.000219 -0.000110 0.000022 -0.000026 0.000043 27O 2px 0.000252 -0.000103 0.000124 -0.000105 0.000070 -0.000136 27O 2py 0.000036 0.000374 0.000100 0.000004 0.000124 -0.000013 27O 3pz 0.000072 -0.000758 -0.000525 -0.000003 -0.000085 0.000077 27O 3px 0.000050 -0.000474 -0.000222 -0.000534 -0.000148 -0.000264 27O 3py -0.000273 0.001626 0.000472 0.000363 0.000482 0.000056 27O 1dz2 -0.000000 -0.000027 0.000016 -0.000013 -0.000008 -0.000015 27O 1dxz 0.000001 -0.000010 -0.000012 0.000015 -0.000002 -0.000014 27O 1dyz -0.000002 0.000009 -0.000022 -0.000003 -0.000010 0.000005 27O 1dx2y2 0.000002 0.000012 -0.000015 0.000009 -0.000019 -0.000002 27O 1dxy -0.000003 0.000005 0.000012 -0.000004 0.000018 -0.000018 27O 2dz2 0.000037 0.000122 -0.000038 0.000041 0.000042 0.000056 27O 2dxz 0.000006 -0.000040 0.000093 -0.000071 0.000006 0.000058 27O 2dyz 0.000016 0.000147 0.000095 0.000013 0.000056 -0.000043 27O 2dx2y2 -0.000066 0.000117 0.000026 -0.000037 0.000044 0.000026 27O 2dxy 0.000019 0.000089 -0.000057 0.000023 -0.000098 0.000068 27O 1f0 0.000004 0.000003 0.000007 0.000013 -0.000003 0.000007 27O 1f+1 -0.000000 0.000008 -0.000005 0.000004 -0.000006 0.000021 27O 1f-1 -0.000003 -0.000021 0.000004 -0.000011 -0.000004 -0.000011 27O 1f+2 -0.000006 -0.000009 -0.000011 -0.000011 0.000003 -0.000002 27O 1f-2 -0.000001 0.000002 -0.000003 0.000009 -0.000009 -0.000004 27O 1f+3 -0.000009 -0.000009 -0.000003 -0.000001 -0.000008 -0.000009 27O 1f-3 -0.000010 -0.000010 0.000002 -0.000027 -0.000005 -0.000012 28O 1s 0.000001 0.000001 0.000000 0.000000 0.000000 0.000000 28O 2s -0.000003 -0.000015 0.000001 -0.000005 -0.000003 -0.000004 28O 3s 0.000054 0.000176 0.000033 0.000076 0.000096 0.000045 28O 4s 0.000121 -0.000550 0.000068 -0.000482 -0.000175 -0.000041 28O 5s -0.000202 0.000047 -0.001428 0.000819 -0.001429 -0.000261 28O 1pz 0.000026 0.000012 0.000005 -0.000011 0.000004 0.000011 28O 1px -0.000002 0.000021 0.000024 -0.000018 0.000004 0.000034 28O 1py 0.000010 0.000005 0.000010 -0.000007 -0.000009 0.000006 28O 2pz -0.000418 0.000051 -0.000112 0.000095 0.000029 -0.000043 28O 2px 0.000175 -0.000236 -0.000100 0.000000 -0.000174 -0.000183 28O 2py -0.000180 -0.000012 -0.000107 0.000032 -0.000030 -0.000026 28O 3pz -0.001216 0.000037 -0.000434 0.000527 -0.000956 -0.000259 28O 3px 0.000088 -0.000126 -0.000451 0.000136 -0.000392 0.000223 28O 3py -0.000589 0.000066 -0.000194 0.000108 -0.000185 -0.000292 28O 1dz2 0.000007 0.000002 -0.000013 -0.000001 0.000024 -0.000008 28O 1dxz -0.000011 0.000010 0.000007 -0.000023 0.000001 0.000011 28O 1dyz -0.000007 0.000008 -0.000001 -0.000003 -0.000005 0.000002 28O 1dx2y2 0.000021 0.000005 0.000016 -0.000008 0.000027 -0.000006 28O 1dxy 0.000007 0.000004 -0.000009 -0.000004 -0.000016 0.000011 28O 2dz2 -0.000124 0.000008 0.000007 -0.000023 -0.000138 0.000053 28O 2dxz -0.000097 0.000015 -0.000062 0.000106 0.000051 -0.000035 28O 2dyz -0.000104 -0.000045 -0.000094 0.000022 -0.000042 -0.000007 28O 2dx2y2 0.000028 -0.000075 -0.000020 0.000038 -0.000136 -0.000012 28O 2dxy -0.000061 -0.000012 0.000016 0.000019 0.000059 -0.000059 28O 1f0 -0.000008 -0.000010 0.000006 0.000003 -0.000035 -0.000003 28O 1f+1 0.000016 0.000010 -0.000011 -0.000001 0.000010 0.000005 28O 1f-1 -0.000013 -0.000001 0.000001 -0.000006 -0.000006 0.000006 28O 1f+2 -0.000016 0.000006 -0.000002 0.000000 -0.000006 0.000003 28O 1f-2 0.000001 -0.000001 -0.000005 0.000009 0.000022 0.000000 28O 1f+3 -0.000008 0.000009 0.000006 -0.000003 0.000023 0.000005 28O 1f-3 0.000012 0.000002 -0.000005 0.000003 0.000004 0.000004 29O 1s -0.000000 -0.000001 -0.000000 0.000001 0.000000 0.000001 29O 2s 0.000002 0.000007 0.000000 -0.000014 -0.000002 -0.000008 29O 3s -0.000016 -0.000058 0.000000 0.000098 0.000022 0.000065 29O 4s 0.000034 -0.000041 0.000002 -0.000167 -0.000050 0.000076 29O 5s -0.000015 0.000613 0.000015 0.000345 0.000043 -0.000751 29O 1pz -0.000003 0.000000 0.000002 0.000014 0.000004 0.000002 29O 1px 0.000005 0.000046 -0.000007 -0.000028 -0.000004 -0.000057 29O 1py 0.000002 0.000007 -0.000007 0.000030 -0.000001 -0.000013 29O 2pz 0.000010 -0.000023 -0.000006 -0.000053 -0.000016 -0.000008 29O 2px -0.000012 -0.000124 0.000023 0.000092 0.000008 0.000154 29O 2py -0.000012 -0.000051 0.000031 -0.000087 0.000011 0.000067 29O 3pz -0.000059 -0.000134 -0.000014 -0.000125 0.000065 0.000233 29O 3px -0.000002 -0.000275 -0.000025 0.000256 0.000011 0.000365 29O 3py -0.000001 -0.000137 -0.000115 -0.000144 0.000009 0.000135 29O 1dz2 0.000001 0.000014 -0.000000 -0.000014 -0.000000 -0.000028 29O 1dxz 0.000002 0.000005 -0.000001 -0.000028 -0.000002 0.000020 29O 1dyz -0.000001 -0.000030 -0.000001 0.000008 -0.000002 0.000011 29O 1dx2y2 -0.000003 -0.000033 0.000001 0.000038 0.000003 0.000052 29O 1dxy -0.000001 -0.000015 0.000001 -0.000040 0.000000 0.000015 29O 2dz2 0.000000 -0.000035 0.000000 0.000070 0.000001 0.000092 29O 2dxz -0.000006 -0.000033 0.000002 0.000112 0.000007 -0.000052 29O 2dyz 0.000005 0.000119 0.000003 -0.000015 0.000009 -0.000056 29O 2dx2y2 0.000010 0.000128 -0.000005 -0.000155 -0.000012 -0.000198 29O 2dxy 0.000003 0.000058 -0.000000 0.000112 0.000001 -0.000060 29O 1f0 -0.000001 -0.000006 -0.000000 0.000008 0.000002 0.000006 29O 1f+1 0.000000 0.000007 0.000000 -0.000005 -0.000001 -0.000018 29O 1f-1 -0.000001 -0.000002 0.000002 -0.000006 0.000002 0.000003 29O 1f+2 0.000001 0.000017 0.000001 -0.000017 0.000000 -0.000003 29O 1f-2 0.000000 -0.000010 -0.000000 0.000008 -0.000002 0.000007 29O 1f+3 0.000001 0.000017 0.000001 -0.000020 -0.000003 -0.000029 29O 1f-3 0.000000 0.000008 -0.000002 0.000029 0.000001 -0.000011 30O 1s -0.000001 -0.000001 0.000000 -0.000000 0.000000 -0.000000 30O 2s 0.000004 0.000016 -0.000003 0.000004 -0.000002 0.000003 30O 3s -0.000136 -0.000188 0.000044 -0.000054 0.000038 -0.000035 30O 4s 0.000049 0.000600 -0.000198 0.000312 -0.000136 0.000162 30O 5s 0.001661 -0.000078 -0.000303 -0.000626 -0.000156 -0.000442 30O 1pz -0.000009 0.000006 -0.000007 -0.000005 0.000009 0.000006 30O 1px -0.000012 -0.000035 -0.000012 0.000023 0.000002 0.000014 30O 1py 0.000021 0.000014 0.000007 -0.000008 0.000010 0.000007 30O 2pz 0.000221 -0.000107 0.000126 0.000002 0.000042 -0.000044 30O 2px 0.000117 0.000303 -0.000091 -0.000062 -0.000102 -0.000049 30O 2py -0.000345 0.000016 -0.000152 0.000061 -0.000081 -0.000028 30O 3pz 0.000944 0.000057 0.000299 -0.000412 -0.000464 0.000021 30O 3px 0.000428 -0.000108 -0.000037 0.000001 -0.000099 0.000030 30O 3py -0.001800 -0.000153 0.000152 0.000221 -0.000157 0.000374 30O 1dz2 0.000017 0.000006 -0.000001 0.000000 0.000017 -0.000005 30O 1dxz 0.000020 -0.000003 -0.000019 0.000015 0.000028 -0.000003 30O 1dyz -0.000002 -0.000002 0.000001 0.000003 -0.000012 0.000008 30O 1dx2y2 -0.000002 -0.000000 -0.000016 0.000008 0.000011 -0.000002 30O 1dxy -0.000017 0.000016 -0.000005 -0.000007 0.000013 -0.000009 30O 2dz2 -0.000098 -0.000043 0.000011 0.000014 -0.000058 0.000023 30O 2dxz 0.000002 -0.000042 0.000147 -0.000062 -0.000066 0.000006 30O 2dyz -0.000155 -0.000018 0.000001 -0.000023 0.000066 -0.000036 30O 2dx2y2 -0.000127 0.000055 0.000008 -0.000046 -0.000074 -0.000004 30O 2dxy -0.000053 -0.000034 -0.000061 0.000037 -0.000098 0.000037 30O 1f0 -0.000004 0.000005 -0.000014 -0.000004 -0.000011 -0.000003 30O 1f+1 -0.000007 -0.000003 0.000004 0.000004 -0.000009 0.000002 30O 1f-1 -0.000000 0.000002 -0.000002 0.000001 0.000025 -0.000001 30O 1f+2 -0.000017 -0.000010 0.000017 -0.000004 0.000001 -0.000001 30O 1f-2 0.000026 -0.000000 -0.000014 0.000003 0.000003 -0.000000 30O 1f+3 -0.000026 -0.000014 0.000012 0.000002 0.000019 -0.000000 30O 1f-3 -0.000021 -0.000004 0.000020 -0.000001 0.000010 -0.000001 31O 1s 0.000001 0.000001 0.000000 -0.000000 0.000000 -0.000000 31O 2s -0.000016 -0.000004 -0.000004 0.000002 -0.000003 0.000002 31O 3s 0.000190 0.000134 0.000053 -0.000041 0.000035 -0.000038 31O 4s -0.000604 -0.000045 -0.000307 0.000191 -0.000159 0.000136 31O 5s 0.000068 -0.001653 0.000620 0.000272 0.000434 0.000146 31O 1pz 0.000006 -0.000009 -0.000005 -0.000007 0.000006 0.000009 31O 1px -0.000035 -0.000012 0.000024 -0.000012 0.000014 0.000002 31O 1py 0.000014 0.000021 -0.000008 0.000007 0.000007 0.000010 31O 2pz -0.000105 0.000221 0.000001 0.000126 -0.000044 0.000042 31O 2px 0.000304 0.000113 -0.000065 -0.000088 -0.000048 -0.000100 31O 2py 0.000013 -0.000345 0.000061 -0.000152 -0.000028 -0.000081 31O 3pz 0.000064 0.000942 -0.000414 0.000299 0.000028 -0.000464 31O 3px -0.000105 0.000427 0.000003 -0.000022 0.000033 -0.000094 31O 3py -0.000170 -0.001798 0.000218 0.000147 0.000370 -0.000158 31O 1dz2 -0.000006 -0.000017 -0.000000 0.000001 0.000005 -0.000017 31O 1dxz 0.000002 -0.000020 -0.000015 0.000019 0.000004 -0.000028 31O 1dyz 0.000002 0.000002 -0.000003 -0.000001 -0.000008 0.000012 31O 1dx2y2 0.000000 0.000002 -0.000008 0.000016 0.000002 -0.000011 31O 1dxy -0.000016 0.000017 0.000007 0.000006 0.000009 -0.000013 31O 2dz2 0.000044 0.000098 -0.000014 -0.000011 -0.000023 0.000058 31O 2dxz 0.000042 -0.000001 0.000063 -0.000146 -0.000007 0.000066 31O 2dyz 0.000020 0.000154 0.000022 0.000002 0.000036 -0.000065 31O 2dx2y2 -0.000053 0.000128 0.000047 -0.000008 0.000003 0.000074 31O 2dxy 0.000034 0.000053 -0.000038 0.000060 -0.000037 0.000098 31O 1f0 0.000005 -0.000004 -0.000004 -0.000014 -0.000002 -0.000011 31O 1f+1 -0.000003 -0.000007 0.000004 0.000004 0.000002 -0.000009 31O 1f-1 0.000002 -0.000000 0.000001 -0.000002 -0.000001 0.000025 31O 1f+2 -0.000011 -0.000017 -0.000004 0.000017 -0.000001 0.000001 31O 1f-2 0.000000 0.000026 0.000003 -0.000014 -0.000000 0.000003 31O 1f+3 -0.000015 -0.000026 0.000001 0.000011 -0.000000 0.000019 31O 1f-3 -0.000005 -0.000021 -0.000001 0.000020 -0.000001 0.000010 32O 1s 0.000001 0.000000 -0.000001 -0.000000 -0.000001 -0.000000 32O 2s -0.000007 -0.000002 0.000014 0.000000 0.000009 0.000002 32O 3s 0.000058 0.000016 -0.000099 -0.000001 -0.000067 -0.000023 32O 4s 0.000041 -0.000034 0.000167 0.000000 -0.000073 0.000049 32O 5s -0.000619 0.000019 -0.000338 -0.000017 0.000758 -0.000031 32O 1pz 0.000000 -0.000003 0.000014 0.000002 0.000002 0.000004 32O 1px 0.000046 0.000005 -0.000028 -0.000007 -0.000058 -0.000005 32O 1py 0.000008 0.000002 0.000029 -0.000007 -0.000013 -0.000002 32O 2pz -0.000021 0.000010 -0.000052 -0.000006 -0.000008 -0.000016 32O 2px -0.000122 -0.000010 0.000094 0.000023 0.000155 0.000009 32O 2py -0.000052 -0.000012 -0.000087 0.000030 0.000068 0.000013 32O 3pz -0.000130 -0.000057 -0.000131 -0.000015 0.000230 0.000068 32O 3px -0.000273 0.000002 0.000258 -0.000022 0.000369 0.000014 32O 3py -0.000143 -0.000000 -0.000142 -0.000117 0.000145 0.000011 32O 1dz2 -0.000014 -0.000000 0.000014 0.000000 0.000029 0.000001 32O 1dxz -0.000005 -0.000002 0.000028 0.000001 -0.000019 0.000002 32O 1dyz 0.000030 0.000001 -0.000007 0.000001 -0.000012 0.000002 32O 1dx2y2 0.000033 0.000002 -0.000039 -0.000002 -0.000052 -0.000004 32O 1dxy 0.000016 0.000001 0.000040 -0.000000 -0.000015 -0.000001 32O 2dz2 0.000037 -0.000001 -0.000070 -0.000001 -0.000095 -0.000001 32O 2dxz 0.000033 0.000006 -0.000113 -0.000002 0.000049 -0.000005 32O 2dyz -0.000119 -0.000004 0.000012 -0.000003 0.000058 -0.000008 32O 2dx2y2 -0.000127 -0.000008 0.000157 0.000007 0.000197 0.000013 32O 2dxy -0.000058 -0.000002 -0.000112 -0.000001 0.000061 -0.000001 32O 1f0 -0.000006 -0.000001 0.000009 -0.000000 0.000006 0.000002 32O 1f+1 0.000008 0.000000 -0.000005 0.000000 -0.000018 -0.000001 32O 1f-1 -0.000002 -0.000002 -0.000006 0.000002 0.000003 0.000002 32O 1f+2 0.000017 0.000001 -0.000016 0.000001 -0.000004 0.000000 32O 1f-2 -0.000010 0.000000 0.000008 0.000000 0.000007 -0.000002 32O 1f+3 0.000017 0.000001 -0.000020 0.000000 -0.000029 -0.000003 32O 1f-3 0.000008 0.000000 0.000029 -0.000002 -0.000011 0.000001 33O 1s -0.000001 -0.000001 -0.000000 -0.000000 -0.000000 -0.000000 33O 2s 0.000015 0.000003 0.000005 -0.000001 0.000004 0.000003 33O 3s -0.000177 -0.000052 -0.000074 -0.000034 -0.000045 -0.000095 33O 4s 0.000551 -0.000128 0.000478 -0.000066 0.000043 0.000173 33O 5s -0.000052 0.000196 -0.000832 0.001421 0.000243 0.001407 33O 1pz 0.000012 0.000026 -0.000012 0.000005 0.000011 0.000004 33O 1px 0.000021 -0.000003 -0.000018 0.000023 0.000034 0.000004 33O 1py 0.000005 0.000010 -0.000008 0.000010 0.000006 -0.000009 33O 2pz 0.000047 -0.000418 0.000096 -0.000115 -0.000043 0.000027 33O 2px -0.000234 0.000178 0.000003 -0.000098 -0.000182 -0.000172 33O 2py -0.000013 -0.000180 0.000034 -0.000108 -0.000026 -0.000029 33O 3pz 0.000025 -0.001216 0.000530 -0.000440 -0.000247 -0.000955 33O 3px -0.000124 0.000094 0.000140 -0.000447 0.000227 -0.000383 33O 3py 0.000059 -0.000593 0.000110 -0.000202 -0.000287 -0.000182 33O 1dz2 -0.000002 -0.000007 0.000001 0.000013 0.000008 -0.000024 33O 1dxz -0.000010 0.000011 0.000023 -0.000006 -0.000011 -0.000001 33O 1dyz -0.000008 0.000007 0.000003 0.000001 -0.000002 0.000005 33O 1dx2y2 -0.000006 -0.000021 0.000008 -0.000016 0.000006 -0.000027 33O 1dxy -0.000004 -0.000007 0.000004 0.000009 -0.000011 0.000016 33O 2dz2 -0.000007 0.000124 0.000023 -0.000007 -0.000054 0.000137 33O 2dxz -0.000015 0.000097 -0.000107 0.000060 0.000036 -0.000050 33O 2dyz 0.000046 0.000103 -0.000023 0.000096 0.000006 0.000042 33O 2dx2y2 0.000075 -0.000030 -0.000038 0.000019 0.000011 0.000136 33O 2dxy 0.000012 0.000061 -0.000019 -0.000016 0.000059 -0.000060 33O 1f0 -0.000010 -0.000008 0.000003 0.000006 -0.000003 -0.000035 33O 1f+1 0.000010 0.000016 -0.000001 -0.000011 0.000005 0.000010 33O 1f-1 -0.000001 -0.000013 -0.000006 0.000001 0.000006 -0.000006 33O 1f+2 0.000005 -0.000016 0.000000 -0.000002 0.000003 -0.000006 33O 1f-2 -0.000000 0.000002 0.000009 -0.000005 0.000000 0.000022 33O 1f+3 0.000009 -0.000008 -0.000004 0.000006 0.000005 0.000023 33O 1f-3 0.000002 0.000012 0.000003 -0.000005 0.000004 0.000004 34O 1s -0.000001 -0.000001 -0.000000 -0.000000 -0.000000 -0.000000 34O 2s 0.000002 0.000016 0.000005 0.000005 0.000003 0.000002 34O 3s -0.000116 -0.000195 -0.000046 -0.000036 -0.000008 -0.000012 34O 4s -0.000046 0.000765 0.000162 -0.000156 0.000040 -0.000169 34O 5s 0.002234 -0.000513 -0.000914 0.000912 -0.000738 0.000559 34O 1pz 0.000016 -0.000001 -0.000010 0.000026 -0.000012 0.000007 34O 1px -0.000012 -0.000011 0.000022 -0.000023 0.000022 -0.000016 34O 1py -0.000034 -0.000011 0.000006 -0.000026 0.000005 -0.000029 34O 2pz -0.000220 -0.000018 0.000025 -0.000111 0.000044 -0.000026 34O 2px -0.000099 0.000252 -0.000108 0.000125 -0.000139 0.000070 34O 2py 0.000374 0.000032 0.000001 0.000100 -0.000014 0.000123 34O 3pz -0.000757 0.000082 0.000014 -0.000522 0.000081 -0.000084 34O 3px -0.000470 0.000057 -0.000533 -0.000229 -0.000268 -0.000151 34O 3py 0.001625 -0.000294 0.000346 0.000475 0.000048 0.000484 34O 1dz2 0.000027 -0.000000 0.000013 -0.000016 0.000015 0.000008 34O 1dxz 0.000009 -0.000001 -0.000015 0.000012 0.000014 0.000002 34O 1dyz -0.000009 0.000002 0.000003 0.000022 -0.000005 0.000010 34O 1dx2y2 -0.000012 -0.000002 -0.000008 0.000014 0.000002 0.000019 34O 1dxy -0.000005 0.000003 0.000004 -0.000012 0.000019 -0.000018 34O 2dz2 -0.000123 -0.000036 -0.000041 0.000037 -0.000055 -0.000043 34O 2dxz 0.000040 -0.000006 0.000071 -0.000093 -0.000058 -0.000007 34O 2dyz -0.000147 -0.000014 -0.000010 -0.000095 0.000044 -0.000056 34O 2dx2y2 -0.000115 0.000067 0.000036 -0.000026 -0.000028 -0.000044 34O 2dxy -0.000090 -0.000019 -0.000022 0.000056 -0.000068 0.000098 34O 1f0 0.000003 0.000004 0.000013 0.000007 0.000007 -0.000003 34O 1f+1 0.000008 -0.000000 0.000004 -0.000005 0.000021 -0.000005 34O 1f-1 -0.000021 -0.000003 -0.000011 0.000004 -0.000011 -0.000004 34O 1f+2 -0.000009 -0.000006 -0.000010 -0.000012 -0.000001 0.000003 34O 1f-2 0.000002 -0.000001 0.000009 -0.000003 -0.000004 -0.000009 34O 1f+3 -0.000009 -0.000009 -0.000001 -0.000003 -0.000009 -0.000008 34O 1f-3 -0.000011 -0.000010 -0.000027 0.000001 -0.000012 -0.000005 35O 1s 0.000001 0.000001 0.000000 0.000000 0.000000 0.000000 35O 2s -0.000003 -0.000014 -0.000003 -0.000004 0.000003 -0.000005 35O 3s 0.000069 0.000160 0.000078 0.000047 0.000027 0.000073 35O 4s 0.000044 -0.000384 -0.000125 -0.000050 0.000090 -0.000512 35O 5s -0.000168 -0.000384 -0.000892 -0.000407 -0.002050 0.001201 35O 1pz -0.000018 -0.000034 0.000001 -0.000020 -0.000022 0.000015 35O 1px -0.000019 0.000022 -0.000002 0.000025 0.000028 -0.000022 35O 1py -0.000007 -0.000002 -0.000008 -0.000007 0.000003 0.000015 35O 2pz 0.000248 0.000140 0.000098 0.000085 0.000168 -0.000045 35O 2px 0.000273 -0.000244 -0.000065 -0.000158 -0.000132 0.000036 35O 2py 0.000237 -0.000056 0.000051 0.000018 0.000040 -0.000081 35O 3pz 0.001173 0.000178 0.000494 0.000389 0.000528 -0.000508 35O 3px 0.000798 -0.000073 0.000031 0.000263 -0.000451 0.000043 35O 3py 0.000679 0.000226 0.000763 0.000054 0.000055 -0.000463 35O 1dz2 0.000005 0.000012 -0.000026 0.000019 0.000007 -0.000007 35O 1dxz 0.000006 -0.000014 0.000008 -0.000011 -0.000001 0.000015 35O 1dyz -0.000010 0.000014 0.000013 -0.000003 -0.000012 -0.000014 35O 1dx2y2 0.000023 -0.000003 0.000008 -0.000001 0.000021 0.000003 35O 1dxy 0.000023 -0.000010 -0.000005 -0.000003 -0.000009 0.000018 35O 2dz2 -0.000151 -0.000014 0.000087 -0.000057 -0.000095 0.000029 35O 2dxz -0.000067 0.000079 -0.000053 0.000073 -0.000028 -0.000071 35O 2dyz -0.000092 -0.000057 -0.000111 0.000011 -0.000044 0.000056 35O 2dx2y2 0.000012 -0.000053 -0.000045 -0.000020 -0.000067 0.000020 35O 2dxy -0.000064 -0.000008 -0.000022 -0.000001 0.000012 -0.000089 35O 1f0 -0.000005 -0.000008 -0.000030 -0.000003 0.000016 -0.000002 35O 1f+1 -0.000002 0.000006 0.000015 0.000001 0.000013 0.000000 35O 1f-1 -0.000000 0.000002 -0.000013 0.000000 0.000002 0.000002 35O 1f+2 0.000021 0.000010 0.000006 0.000009 0.000003 0.000003 35O 1f-2 0.000025 0.000003 0.000014 0.000002 -0.000012 0.000007 35O 1f+3 0.000007 0.000009 0.000014 0.000002 -0.000010 -0.000011 35O 1f-3 -0.000025 0.000006 -0.000004 0.000004 0.000003 -0.000003 36 37 38 39 40 41 -11.33340 -11.33327 -10.24114 -10.24105 -10.24095 -10.24093 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s -0.000001 0.000051 0.000000 0.000000 0.000001 -0.000000 0Rh 2s -0.000024 -0.000268 0.000005 0.000003 0.000006 -0.000003 0Rh 3s -0.000022 0.000088 0.000006 0.000004 0.000007 -0.000003 0Rh 4s 0.000101 0.000596 -0.000016 -0.000009 -0.000020 0.000007 0Rh 5s -0.000270 -0.000449 -0.000002 -0.000016 0.000006 0.000021 0Rh 6s 0.000644 0.000433 0.000091 0.000107 0.000080 -0.000121 0Rh 7s -0.002499 -0.001786 -0.000312 -0.000461 -0.000352 0.000424 0Rh 8s -0.000510 0.001105 -0.000471 -0.000388 -0.000384 0.000515 0Rh 1pz -0.000004 0.000014 0.000003 -0.000004 0.000002 0.000003 0Rh 1px 0.000003 -0.000182 0.000001 -0.000000 0.000002 0.000001 0Rh 1py 0.000002 -0.000007 0.000003 -0.000003 -0.000003 -0.000004 0Rh 2pz 0.000020 -0.000048 -0.000016 0.000019 -0.000010 -0.000012 0Rh 2px -0.000020 0.000474 -0.000006 0.000002 -0.000009 -0.000004 0Rh 2py -0.000011 0.000025 -0.000012 0.000013 0.000017 0.000019 0Rh 3pz -0.000128 0.000128 0.000100 -0.000119 0.000061 0.000077 0Rh 3px 0.000195 -0.000147 0.000038 -0.000011 0.000053 0.000027 0Rh 3py 0.000071 -0.000072 0.000077 -0.000077 -0.000103 -0.000118 0Rh 4pz 0.000342 -0.000194 -0.000263 0.000310 -0.000158 -0.000202 0Rh 4px -0.000599 0.000134 -0.000101 0.000028 -0.000138 -0.000070 0Rh 4py -0.000187 0.000106 -0.000202 0.000200 0.000268 0.000309 0Rh 5pz -0.000419 0.000267 0.000347 -0.000407 0.000210 0.000267 0Rh 5px 0.000897 -0.000008 0.000135 -0.000049 0.000171 0.000090 0Rh 5py 0.000220 -0.000122 0.000266 -0.000265 -0.000357 -0.000408 0Rh 6pz -0.001208 -0.001112 0.000018 -0.000077 -0.000060 0.000074 0Rh 6px 0.001245 -0.001009 -0.000221 0.000198 0.000132 0.000226 0Rh 6py 0.000768 -0.000081 0.000083 -0.000056 0.000157 -0.000089 0Rh 1dz2 -0.006100 -0.382517 0.000000 0.000001 -0.000002 0.000001 0Rh 1dxz -0.000696 -0.052919 0.000001 -0.000002 0.000000 0.000001 0Rh 1dyz -0.000176 -0.013746 0.000003 0.000003 -0.000002 0.000003 0Rh 1dx2y2 0.010810 0.682669 0.000001 0.000001 0.000001 0.000000 0Rh 1dxy -0.000040 0.003377 0.000002 0.000000 -0.000002 -0.000001 0Rh 2dz2 -0.002217 -0.140236 -0.000000 -0.000008 0.000014 -0.000007 0Rh 2dxz -0.000234 -0.019603 -0.000004 0.000014 0.000000 -0.000009 0Rh 2dyz -0.000063 -0.005153 -0.000019 -0.000017 0.000015 -0.000021 0Rh 2dx2y2 0.003924 0.250280 -0.000010 -0.000009 -0.000010 -0.000002 0Rh 2dxy -0.000028 0.001353 -0.000015 -0.000001 0.000014 0.000003 0Rh 3dz2 -0.000492 -0.027352 0.000000 0.000021 -0.000039 0.000020 0Rh 3dxz -0.000118 -0.003958 0.000009 -0.000040 -0.000003 0.000025 0Rh 3dyz -0.000022 -0.001053 0.000052 0.000045 -0.000042 0.000058 0Rh 3dx2y2 0.000882 0.048810 0.000030 0.000029 0.000029 0.000002 0Rh 3dxy 0.000039 0.000315 0.000042 0.000005 -0.000037 -0.000009 0Rh 4dz2 0.000171 0.003296 0.000011 -0.000017 0.000074 -0.000041 0Rh 4dxz 0.000119 0.000863 0.000000 0.000084 0.000024 -0.000058 0Rh 4dyz 0.000009 0.000251 -0.000081 -0.000061 0.000067 -0.000090 0Rh 4dx2y2 -0.000312 -0.005854 -0.000072 -0.000072 -0.000076 0.000022 0Rh 4dxy -0.000071 -0.000219 -0.000073 -0.000011 0.000053 0.000025 0Rh 5dz2 -0.000007 -0.002540 -0.000119 -0.000189 -0.000026 0.000024 0Rh 5dxz 0.000313 -0.001349 -0.000121 -0.000114 -0.000146 0.000125 0Rh 5dyz 0.000116 -0.000443 -0.000142 -0.000225 0.000119 -0.000170 0Rh 5dx2y2 -0.000100 0.004471 0.000153 0.000173 0.000209 -0.000216 0Rh 5dxy -0.000158 0.000506 -0.000022 -0.000016 0.000121 -0.000108 0Rh 1f0 0.000059 -0.000015 -0.000006 -0.000013 -0.000008 -0.000019 0Rh 1f+1 -0.000013 0.000023 0.000018 0.000005 -0.000006 0.000008 0Rh 1f-1 -0.000007 -0.000004 0.000016 -0.000036 0.000007 -0.000015 0Rh 1f+2 -0.000060 0.000025 -0.000017 0.000011 -0.000007 -0.000028 0Rh 1f-2 -0.000034 0.000003 0.000031 0.000013 -0.000034 0.000002 0Rh 1f+3 -0.000056 0.000033 0.000005 -0.000003 0.000020 0.000009 0Rh 1f-3 -0.000050 0.000012 -0.000006 -0.000014 0.000008 -0.000022 1Rh 1s 0.000051 -0.000003 0.000000 0.000000 0.000000 -0.000001 1Rh 2s -0.000266 -0.000015 0.000003 0.000005 0.000003 -0.000006 1Rh 3s 0.000087 -0.000024 0.000004 0.000006 0.000003 -0.000007 1Rh 4s 0.000593 0.000082 -0.000009 -0.000017 -0.000008 0.000020 1Rh 5s -0.000454 -0.000256 -0.000015 -0.000001 -0.000021 -0.000008 1Rh 6s 0.000452 0.000633 0.000108 0.000089 0.000124 -0.000074 1Rh 7s -0.001852 -0.002450 -0.000465 -0.000302 -0.000438 0.000330 1Rh 8s 0.001067 -0.000553 -0.000395 -0.000464 -0.000529 0.000364 1Rh 1pz -0.000013 0.000004 0.000004 -0.000003 0.000002 0.000002 1Rh 1px 0.000180 -0.000008 0.000000 -0.000001 0.000001 0.000002 1Rh 1py 0.000007 -0.000002 0.000003 -0.000003 -0.000004 -0.000003 1Rh 2pz 0.000045 -0.000021 -0.000019 0.000016 -0.000012 -0.000010 1Rh 2px -0.000470 0.000036 -0.000002 0.000006 -0.000004 -0.000009 1Rh 2py -0.000023 0.000012 -0.000012 0.000012 0.000018 0.000017 1Rh 3pz -0.000125 0.000132 0.000118 -0.000102 0.000074 0.000065 1Rh 3px 0.000140 -0.000201 0.000010 -0.000038 0.000025 0.000054 1Rh 3py 0.000070 -0.000073 0.000077 -0.000077 -0.000115 -0.000107 1Rh 4pz 0.000186 -0.000347 -0.000308 0.000266 -0.000193 -0.000168 1Rh 4px -0.000114 0.000606 -0.000027 0.000100 -0.000064 -0.000141 1Rh 4py -0.000100 0.000190 -0.000199 0.000203 0.000300 0.000278 1Rh 5pz -0.000258 0.000426 0.000404 -0.000351 0.000255 0.000225 1Rh 5px -0.000022 -0.000901 0.000047 -0.000135 0.000082 0.000175 1Rh 5py 0.000117 -0.000224 0.000263 -0.000267 -0.000396 -0.000370 1Rh 6pz 0.001173 0.001160 0.000074 -0.000017 0.000075 -0.000062 1Rh 6px 0.000978 -0.001286 -0.000193 0.000219 0.000221 0.000138 1Rh 6py 0.000042 -0.000766 0.000052 -0.000078 -0.000092 0.000156 1Rh 1dz2 -0.384625 0.006051 0.000001 0.000000 -0.000001 0.000002 1Rh 1dxz -0.048250 0.000905 -0.000002 0.000001 -0.000001 -0.000000 1Rh 1dyz -0.011694 0.000226 0.000003 0.000003 -0.000003 0.000002 1Rh 1dx2y2 0.681882 -0.010803 0.000001 0.000001 -0.000000 -0.000001 1Rh 1dxy 0.001230 -0.000111 0.000000 0.000002 0.000000 0.000002 1Rh 2dz2 -0.141002 0.002238 -0.000008 -0.000000 0.000007 -0.000013 1Rh 2dxz -0.017892 0.000359 0.000014 -0.000004 0.000009 0.000000 1Rh 2dyz -0.004402 0.000088 -0.000017 -0.000019 0.000022 -0.000014 1Rh 2dx2y2 0.249982 -0.003999 -0.000010 -0.000010 0.000001 0.000010 1Rh 2dxy 0.000567 -0.000057 -0.000002 -0.000015 -0.000003 -0.000014 1Rh 3dz2 -0.027507 0.000377 0.000020 0.000000 -0.000022 0.000038 1Rh 3dxz -0.003630 0.000002 -0.000040 0.000009 -0.000025 0.000002 1Rh 3dyz -0.000908 0.000009 0.000045 0.000052 -0.000060 0.000040 1Rh 3dx2y2 0.048762 -0.000663 0.000029 0.000030 -0.000000 -0.000029 1Rh 3dxy 0.000164 0.000032 0.000005 0.000042 0.000008 0.000038 1Rh 4dz2 0.003316 0.000066 -0.000016 0.000011 0.000044 -0.000073 1Rh 4dxz 0.000828 0.000094 0.000084 -0.000001 0.000059 -0.000021 1Rh 4dyz 0.000235 0.000002 -0.000061 -0.000082 0.000092 -0.000063 1Rh 4dx2y2 -0.005855 -0.000127 -0.000073 -0.000072 -0.000025 0.000075 1Rh 4dxy -0.000204 -0.000065 -0.000012 -0.000073 -0.000023 -0.000054 1Rh 5dz2 -0.002545 0.000076 -0.000189 -0.000117 -0.000025 0.000025 1Rh 5dxz -0.001315 0.000352 -0.000116 -0.000119 -0.000130 0.000141 1Rh 5dyz -0.000430 0.000129 -0.000225 -0.000139 0.000174 -0.000113 1Rh 5dx2y2 0.004458 -0.000243 0.000176 0.000151 0.000224 -0.000201 1Rh 5dxy 0.000491 -0.000173 -0.000015 -0.000022 0.000112 -0.000116 1Rh 1f0 0.000013 -0.000059 0.000013 0.000006 -0.000018 -0.000009 1Rh 1f+1 -0.000022 0.000014 -0.000005 -0.000018 0.000009 -0.000005 1Rh 1f-1 0.000004 0.000006 0.000035 -0.000016 -0.000016 0.000007 1Rh 1f+2 -0.000022 0.000061 -0.000011 0.000017 -0.000028 -0.000008 1Rh 1f-2 -0.000002 0.000034 -0.000014 -0.000031 0.000003 -0.000034 1Rh 1f+3 -0.000031 0.000058 0.000003 -0.000005 0.000008 0.000020 1Rh 1f-3 -0.000010 0.000050 0.000014 0.000006 -0.000022 0.000007 2C 1s 0.000000 0.000000 0.000337 -0.000002 0.000003 -0.000002 2C 2s -0.000000 -0.000001 0.000548 -0.000000 -0.000001 -0.000001 2C 3s -0.000033 -0.000181 -0.000362 -0.000089 0.000200 -0.000151 2C 4s 0.000054 0.001011 0.005052 0.000439 -0.001093 0.000882 2C 5s 0.001677 -0.000476 -0.005673 0.001893 0.000176 0.000540 2C 1pz -0.000020 -0.000027 0.000010 -0.000016 0.000014 -0.000019 2C 1px -0.000004 -0.000015 0.000030 -0.000003 0.000001 -0.000005 2C 1py -0.000011 -0.000009 0.000006 -0.000010 0.000014 -0.000006 2C 2pz 0.000137 0.000687 0.002124 0.000241 -0.000414 0.000462 2C 2px 0.000143 0.000107 -0.000008 0.000036 -0.000059 0.000107 2C 2py 0.000098 0.000325 0.001422 0.000162 -0.000368 0.000218 2C 3pz 0.000374 -0.000078 -0.001798 0.000490 -0.000165 -0.000029 2C 3px -0.000187 0.000164 -0.000853 0.000090 -0.000068 -0.000109 2C 3py 0.000332 0.000033 -0.001168 0.000333 0.000256 0.000299 2C 1dz2 -0.000003 0.000013 -0.000109 0.000003 0.000000 0.000021 2C 1dxz 0.000012 -0.000007 -0.000071 0.000002 -0.000009 0.000007 2C 1dyz -0.000004 0.000012 -0.000127 0.000005 -0.000022 0.000008 2C 1dx2y2 0.000004 -0.000019 0.000084 -0.000003 0.000016 -0.000003 2C 1dxy 0.000007 -0.000012 -0.000007 0.000001 0.000007 0.000009 2C 2dz2 0.000023 0.000165 0.000049 0.000048 -0.000116 0.000062 2C 2dxz -0.000039 0.000046 0.000416 0.000031 -0.000040 0.000028 2C 2dyz 0.000096 0.000242 -0.000301 0.000066 -0.000120 0.000134 2C 2dx2y2 -0.000006 -0.000027 -0.000411 -0.000030 0.000019 -0.000050 2C 2dxy 0.000008 0.000104 -0.000136 0.000011 -0.000032 0.000015 2C 1f0 -0.000000 0.000010 -0.000091 0.000003 -0.000004 0.000013 2C 1f+1 0.000007 0.000013 -0.000186 0.000007 -0.000010 0.000020 2C 1f-1 0.000001 0.000035 -0.000470 0.000008 -0.000021 0.000017 2C 1f+2 -0.000008 -0.000021 0.000246 -0.000008 0.000026 -0.000012 2C 1f-2 0.000002 0.000010 -0.000099 0.000007 -0.000012 0.000009 2C 1f+3 -0.000003 -0.000005 -0.000136 -0.000001 -0.000001 -0.000001 2C 1f-3 0.000006 0.000005 -0.000115 0.000003 -0.000011 0.000006 3C 1s -0.000000 0.000001 -0.000001 -0.000002 0.000338 0.000007 3C 2s 0.000002 -0.000003 -0.000005 -0.000010 0.000550 0.000009 3C 3s 0.000028 -0.000348 0.000152 0.000211 -0.000359 0.000077 3C 4s -0.000377 0.002070 -0.000930 -0.001186 0.005028 -0.000327 3C 5s 0.001941 -0.001456 -0.000621 0.000341 -0.005711 -0.001985 3C 1pz -0.000006 -0.000020 0.000005 0.000013 -0.000009 0.000008 3C 1px -0.000002 -0.000020 0.000005 0.000005 0.000022 0.000007 3C 1py 0.000014 0.000041 -0.000020 -0.000014 -0.000018 -0.000016 3C 2pz -0.000099 0.000700 -0.000206 -0.000362 0.001462 -0.000115 3C 2px -0.000006 0.000382 -0.000149 -0.000174 0.000526 -0.000079 3C 2py 0.000106 -0.001254 0.000501 0.000439 -0.001997 0.000190 3C 3pz 0.000291 -0.000078 -0.000317 0.000270 -0.000733 -0.000323 3C 3px 0.000062 0.000097 -0.000062 0.000072 -0.000967 -0.000174 3C 3py -0.000468 0.000267 -0.000067 0.000149 0.001955 0.000520 3C 1dz2 0.000002 0.000001 0.000015 -0.000016 0.000005 0.000000 3C 1dxz 0.000000 0.000011 -0.000005 -0.000010 -0.000071 -0.000003 3C 1dyz 0.000008 -0.000024 0.000009 0.000013 0.000100 0.000006 3C 1dx2y2 0.000009 -0.000037 0.000014 0.000009 0.000132 0.000005 3C 1dxy -0.000002 -0.000001 0.000006 0.000013 0.000089 0.000004 3C 2dz2 -0.000003 -0.000094 -0.000001 0.000054 0.000169 0.000011 3C 2dxz -0.000034 0.000135 -0.000052 -0.000036 0.000285 -0.000022 3C 2dyz 0.000004 -0.000465 0.000117 0.000104 0.000432 0.000059 3C 2dx2y2 0.000028 -0.000234 0.000072 0.000106 -0.000317 0.000047 3C 2dxy 0.000043 -0.000229 0.000070 0.000069 -0.000113 0.000039 3C 1f0 0.000005 -0.000028 0.000000 0.000004 0.000287 0.000006 3C 1f+1 0.000002 0.000011 -0.000003 -0.000009 -0.000037 -0.000004 3C 1f-1 -0.000001 -0.000013 -0.000008 0.000005 0.000100 0.000000 3C 1f+2 0.000003 -0.000057 0.000009 0.000016 0.000246 0.000011 3C 1f-2 0.000006 -0.000042 0.000012 0.000020 0.000262 0.000013 3C 1f+3 -0.000009 0.000036 -0.000018 -0.000011 -0.000314 -0.000012 3C 1f-3 -0.000001 -0.000031 0.000015 0.000006 0.000213 0.000009 4C 1s 0.000001 0.000002 0.467691 -0.001890 0.002545 -0.002210 4C 2s -0.000006 -0.000013 0.609112 -0.002469 0.003336 -0.002899 4C 3s 0.000264 0.000480 0.030930 -0.000004 -0.000185 0.000154 4C 4s -0.001403 -0.002189 -0.011647 -0.000415 0.001346 -0.001085 4C 5s -0.000859 -0.000359 0.011671 0.000231 -0.002028 0.001706 4C 1pz 0.000036 -0.000003 0.000569 0.000003 0.000025 0.000015 4C 1px -0.000014 0.000007 0.000113 0.000006 0.000019 0.000011 4C 1py 0.000010 0.000005 0.000401 0.000006 -0.000029 -0.000033 4C 2pz -0.000467 0.000355 0.004856 0.000107 -0.000264 0.000090 4C 2px 0.000466 -0.000474 0.000734 -0.000119 -0.000199 -0.000021 4C 2py -0.000096 0.000032 0.003185 0.000011 0.000025 0.000276 4C 3pz 0.000570 -0.000602 -0.001386 0.001845 -0.001031 0.001638 4C 3px 0.000154 -0.000535 -0.000310 0.000292 -0.000199 0.000404 4C 3py 0.000276 -0.000470 -0.000930 0.001220 -0.001223 0.000661 4C 1dz2 0.000005 0.000009 -0.000139 0.000009 -0.000027 0.000004 4C 1dxz 0.000015 0.000021 -0.000659 0.000014 -0.000038 0.000023 4C 1dyz -0.000015 0.000019 0.000666 -0.000008 0.000016 0.000000 4C 1dx2y2 -0.000016 -0.000030 0.001125 -0.000026 0.000039 -0.000053 4C 1dxy -0.000012 -0.000007 0.000691 -0.000016 0.000019 -0.000020 4C 2dz2 -0.000214 -0.000018 -0.001966 -0.000090 0.000231 -0.000181 4C 2dxz 0.000235 -0.000388 -0.002324 -0.000140 0.000155 -0.000166 4C 2dyz -0.000121 -0.000455 -0.001088 -0.000086 0.000199 -0.000210 4C 2dx2y2 -0.000015 0.000010 0.003268 0.000140 -0.000198 0.000251 4C 2dxy 0.000218 -0.000306 0.000943 0.000005 -0.000021 0.000030 4C 1f0 0.000011 0.000031 -0.000545 0.000002 -0.000012 0.000006 4C 1f+1 0.000020 0.000027 -0.001206 0.000002 -0.000023 0.000014 4C 1f-1 -0.000004 0.000044 -0.000245 0.000021 -0.000031 0.000028 4C 1f+2 -0.000032 -0.000034 0.001016 -0.000005 0.000028 -0.000021 4C 1f-2 0.000037 -0.000006 -0.000075 0.000004 -0.000013 0.000011 4C 1f+3 -0.000002 0.000027 0.000110 0.000006 -0.000004 0.000001 4C 1f-3 0.000000 0.000063 -0.001024 0.000004 -0.000010 0.000011 5C 1s 0.000000 0.000004 -0.002525 -0.004741 0.467588 0.009061 5C 2s -0.000002 -0.000023 -0.003267 -0.006153 0.608979 0.011808 5C 3s 0.000250 0.000778 -0.000472 -0.000674 0.030923 0.000492 5C 4s -0.001508 -0.003358 0.001208 0.001587 -0.011650 0.000171 5C 5s -0.001522 0.000019 -0.001889 -0.002124 0.011644 -0.000021 5C 1pz 0.000036 -0.000017 0.000030 -0.000036 0.000356 0.000000 5C 1px -0.000018 -0.000003 0.000003 -0.000008 0.000218 0.000003 5C 1py -0.000048 0.000027 0.000023 -0.000020 -0.000563 -0.000003 5C 2pz -0.000556 0.000606 -0.000307 0.000017 0.002895 0.000027 5C 2px 0.000278 -0.000362 -0.000081 -0.000042 0.001687 -0.000031 5C 2py 0.000741 -0.000851 0.000142 0.000374 -0.004771 -0.000019 5C 3pz 0.000393 -0.000704 -0.000603 -0.001055 -0.000834 -0.001078 5C 3px 0.000379 -0.000913 -0.000480 -0.000581 -0.000636 -0.000716 5C 3py -0.000648 0.001105 0.001738 0.000943 0.001369 0.001820 5C 1dz2 0.000011 -0.000001 -0.000030 -0.000002 -0.000839 -0.000028 5C 1dxz 0.000011 0.000041 -0.000027 -0.000014 -0.000637 -0.000025 5C 1dyz 0.000032 -0.000022 -0.000001 -0.000013 -0.000902 -0.000028 5C 1dx2y2 0.000003 -0.000049 0.000025 0.000038 0.000845 0.000034 5C 1dxy -0.000000 -0.000036 0.000011 0.000012 0.000049 0.000006 5C 2dz2 0.000008 0.000405 0.000090 0.000015 -0.001316 0.000026 5C 2dxz 0.000201 -0.000406 0.000226 0.000194 -0.002280 0.000063 5C 2dyz 0.000071 0.000557 -0.000140 -0.000136 0.000244 -0.000040 5C 2dx2y2 -0.000068 0.000161 -0.000321 -0.000316 0.003488 -0.000116 5C 2dxy -0.000296 0.000747 -0.000206 -0.000212 0.001594 -0.000053 5C 1f0 0.000017 -0.000032 0.000016 0.000021 -0.000412 0.000005 5C 1f+1 0.000005 0.000061 0.000000 0.000003 -0.000799 -0.000010 5C 1f-1 0.000008 -0.000019 0.000003 0.000003 0.000067 0.000002 5C 1f+2 0.000007 -0.000029 0.000020 0.000018 0.000173 0.000015 5C 1f-2 -0.000039 -0.000034 0.000011 0.000012 0.000890 0.000023 5C 1f+3 0.000031 0.000114 -0.000010 -0.000015 -0.000982 -0.000023 5C 1f-3 -0.000007 -0.000074 0.000003 0.000008 0.001138 0.000019 6C 1s 0.000004 0.000000 -0.002280 -0.004103 0.009009 -0.467596 6C 2s -0.000024 -0.000002 -0.002948 -0.005322 0.011725 -0.608990 6C 3s 0.000788 0.000233 -0.000513 -0.000574 0.000702 -0.030920 6C 4s -0.003410 -0.001437 0.001530 0.001235 -0.000618 0.011637 6C 5s -0.000020 -0.001530 -0.002067 -0.001907 0.000470 -0.011630 6C 1pz 0.000016 -0.000037 0.000034 -0.000029 -0.000014 0.000356 6C 1px 0.000004 0.000018 0.000007 -0.000002 -0.000005 0.000218 6C 1py -0.000026 0.000049 0.000023 -0.000025 0.000018 -0.000563 6C 2pz -0.000591 0.000577 -0.000031 0.000318 -0.000083 0.002893 6C 2px 0.000348 -0.000303 0.000033 0.000087 -0.000098 0.001683 6C 2py 0.000834 -0.000766 -0.000348 -0.000157 0.000166 -0.004772 6C 3pz 0.000698 -0.000396 0.001062 0.000603 -0.001039 -0.000866 6C 3px 0.000904 -0.000412 0.000588 0.000478 -0.000688 -0.000661 6C 3py -0.001094 0.000657 -0.000962 -0.001742 0.001749 0.001437 6C 1dz2 -0.000000 0.000011 -0.000007 -0.000027 -0.000005 0.000840 6C 1dxz 0.000042 0.000010 -0.000018 -0.000025 0.000000 0.000638 6C 1dyz -0.000021 0.000032 -0.000018 0.000002 -0.000007 0.000902 6C 1dx2y2 -0.000049 0.000004 0.000042 0.000022 -0.000001 -0.000846 6C 1dxy -0.000037 0.000000 0.000012 0.000011 -0.000004 -0.000049 6C 2dz2 0.000406 -0.000004 0.000009 0.000095 -0.000076 0.001313 6C 2dxz -0.000400 0.000216 0.000184 0.000234 -0.000150 0.002278 6C 2dyz 0.000562 0.000062 -0.000135 -0.000140 0.000049 -0.000243 6C 2dx2y2 0.000161 -0.000070 -0.000299 -0.000332 0.000250 -0.003481 6C 2dxy 0.000739 -0.000320 -0.000205 -0.000212 0.000113 -0.001592 6C 1f0 0.000032 -0.000018 -0.000019 -0.000017 0.000021 -0.000411 6C 1f+1 -0.000061 -0.000004 0.000001 -0.000003 0.000021 -0.000799 6C 1f-1 0.000018 -0.000009 -0.000003 -0.000003 -0.000000 0.000067 6C 1f+2 0.000029 -0.000007 -0.000019 -0.000020 0.000008 0.000173 6C 1f-2 0.000035 0.000039 -0.000017 -0.000008 -0.000012 0.000890 6C 1f+3 -0.000115 -0.000028 0.000020 0.000007 0.000015 -0.000982 6C 1f-3 0.000075 0.000006 -0.000014 0.000001 -0.000025 0.001138 7C 1s 0.000002 0.000001 0.001846 0.467661 0.004824 -0.004015 7C 2s -0.000013 -0.000006 0.002396 0.609073 0.006305 -0.005250 7C 3s 0.000493 0.000253 0.000241 0.030929 0.000004 0.000075 7C 4s -0.002253 -0.001354 -0.000496 -0.011647 0.001083 -0.001256 7C 5s -0.000384 -0.000841 0.000308 0.011681 -0.001736 0.001899 7C 1pz 0.000002 -0.000036 -0.000007 -0.000568 0.000011 0.000027 7C 1px -0.000006 0.000014 -0.000007 -0.000113 0.000010 0.000019 7C 1py -0.000005 -0.000009 -0.000009 -0.000401 -0.000034 -0.000029 7C 2pz -0.000344 0.000477 -0.000144 -0.004853 0.000071 -0.000244 7C 2px 0.000463 -0.000488 0.000114 -0.000724 -0.000018 -0.000198 7C 2py -0.000032 0.000094 -0.000037 -0.003201 0.000258 0.000043 7C 3pz 0.000594 -0.000572 -0.001817 0.001376 0.001674 -0.001000 7C 3px 0.000532 -0.000175 -0.000286 0.000309 0.000411 -0.000190 7C 3py 0.000468 -0.000289 -0.001204 0.000936 0.000707 -0.001218 7C 1dz2 0.000009 0.000005 0.000008 -0.000143 -0.000005 0.000027 7C 1dxz 0.000021 0.000014 0.000008 -0.000660 -0.000028 0.000040 7C 1dyz 0.000018 -0.000015 -0.000002 0.000668 0.000004 -0.000018 7C 1dx2y2 -0.000031 -0.000015 -0.000017 0.001122 0.000061 -0.000041 7C 1dxy -0.000008 -0.000012 -0.000010 0.000690 0.000025 -0.000020 7C 2dz2 -0.000023 -0.000216 -0.000103 -0.001964 0.000177 -0.000219 7C 2dxz -0.000380 0.000250 -0.000157 -0.002324 0.000158 -0.000142 7C 2dyz -0.000463 -0.000112 -0.000094 -0.001092 0.000212 -0.000189 7C 2dx2y2 0.000010 -0.000013 0.000164 0.003275 -0.000240 0.000182 7C 2dxy -0.000300 0.000228 0.000012 0.000943 -0.000025 0.000018 7C 1f0 -0.000032 -0.000010 0.000002 0.000546 0.000010 -0.000014 7C 1f+1 -0.000028 -0.000020 0.000008 0.001204 0.000021 -0.000027 7C 1f-1 -0.000044 0.000005 -0.000019 0.000245 0.000031 -0.000031 7C 1f+2 0.000035 0.000032 -0.000003 -0.001016 -0.000028 0.000031 7C 1f-2 0.000005 -0.000038 -0.000003 0.000078 0.000012 -0.000012 7C 1f+3 -0.000027 0.000003 -0.000007 -0.000111 0.000000 -0.000003 7C 1f-3 -0.000063 0.000002 0.000005 0.001027 0.000018 -0.000013 8C 1s 0.000001 -0.000000 -0.000000 -0.000002 0.000006 -0.000338 8C 2s -0.000003 0.000002 -0.000007 -0.000007 0.000013 -0.000550 8C 3s -0.000348 0.000036 0.000209 0.000152 -0.000091 0.000357 8C 4s 0.002067 -0.000429 -0.001161 -0.000943 0.000519 -0.005016 8C 5s -0.001412 0.001965 0.000298 -0.000621 0.001745 0.005776 8C 1pz 0.000021 0.000005 -0.000013 -0.000005 0.000009 -0.000009 8C 1px 0.000021 0.000002 -0.000005 -0.000005 0.000006 0.000022 8C 1py -0.000041 -0.000013 0.000014 0.000020 -0.000015 -0.000018 8C 2pz -0.000701 0.000117 0.000355 0.000210 -0.000171 0.001457 8C 2px -0.000385 0.000013 0.000171 0.000150 -0.000099 0.000516 8C 2py 0.001254 -0.000137 -0.000431 -0.000507 0.000265 -0.001993 8C 3pz 0.000071 -0.000292 -0.000263 0.000319 -0.000290 -0.000749 8C 3px -0.000096 -0.000053 -0.000067 0.000061 -0.000134 -0.000983 8C 3py -0.000256 0.000472 -0.000159 0.000069 0.000442 0.001964 8C 1dz2 0.000001 0.000002 -0.000016 0.000015 0.000000 -0.000005 8C 1dxz 0.000011 0.000000 -0.000011 -0.000005 -0.000000 0.000071 8C 1dyz -0.000024 0.000009 0.000013 0.000008 -0.000002 -0.000100 8C 1dx2y2 -0.000037 0.000010 0.000009 0.000014 0.000000 -0.000132 8C 1dxy -0.000002 -0.000002 0.000013 0.000006 -0.000001 -0.000089 8C 2dz2 -0.000094 -0.000000 0.000055 -0.000002 -0.000005 -0.000170 8C 2dxz 0.000133 -0.000037 -0.000035 -0.000053 0.000033 -0.000288 8C 2dyz -0.000467 0.000015 0.000107 0.000114 -0.000042 -0.000435 8C 2dx2y2 -0.000235 0.000034 0.000105 0.000074 -0.000059 0.000314 8C 2dxy -0.000229 0.000049 0.000069 0.000071 -0.000043 0.000114 8C 1f0 0.000028 -0.000006 -0.000005 0.000001 -0.000006 0.000288 8C 1f+1 -0.000011 -0.000002 0.000009 0.000003 -0.000002 -0.000039 8C 1f-1 0.000013 0.000001 -0.000005 0.000008 -0.000004 0.000100 8C 1f+2 0.000057 -0.000004 -0.000017 -0.000008 0.000001 0.000247 8C 1f-2 0.000042 -0.000007 -0.000022 -0.000011 0.000003 0.000261 8C 1f+3 -0.000035 0.000010 0.000013 0.000017 0.000000 -0.000315 8C 1f-3 0.000031 -0.000000 -0.000007 -0.000014 0.000000 0.000213 9C 1s 0.000000 0.000000 0.000000 0.000337 0.000004 -0.000004 9C 2s -0.000001 -0.000000 0.000004 0.000548 0.000003 -0.000001 9C 3s -0.000184 -0.000029 -0.000090 -0.000363 0.000158 -0.000191 9C 4s 0.001025 0.000033 0.000470 0.005059 -0.000901 0.001037 9C 5s -0.000441 0.001677 0.001842 -0.005672 -0.000534 -0.000118 9C 1pz 0.000028 0.000019 0.000016 -0.000009 -0.000019 0.000014 9C 1px 0.000016 0.000004 0.000003 -0.000030 -0.000005 0.000001 9C 1py 0.000009 0.000011 0.000010 -0.000006 -0.000007 0.000014 9C 2pz -0.000694 -0.000119 -0.000254 -0.002131 0.000465 -0.000390 9C 2px -0.000112 -0.000143 -0.000035 0.000016 0.000109 -0.000055 9C 2py -0.000336 -0.000094 -0.000171 -0.001420 0.000225 -0.000357 9C 3pz 0.000066 -0.000377 -0.000473 0.001788 -0.000019 -0.000182 9C 3px -0.000155 0.000199 -0.000081 0.000857 -0.000103 -0.000074 9C 3py -0.000038 -0.000323 -0.000325 0.001185 0.000293 0.000254 9C 1dz2 0.000013 -0.000004 0.000002 -0.000108 -0.000021 -0.000001 9C 1dxz -0.000007 0.000012 0.000001 -0.000071 -0.000008 0.000008 9C 1dyz 0.000012 -0.000004 0.000004 -0.000127 -0.000009 0.000023 9C 1dx2y2 -0.000019 0.000004 -0.000002 0.000084 0.000004 -0.000016 9C 1dxy -0.000012 0.000007 0.000001 -0.000007 -0.000009 -0.000007 9C 2dz2 0.000167 0.000020 0.000048 0.000045 -0.000065 0.000113 9C 2dxz 0.000045 -0.000040 0.000034 0.000419 -0.000026 0.000037 9C 2dyz 0.000247 0.000090 0.000063 -0.000298 -0.000141 0.000117 9C 2dx2y2 -0.000028 -0.000005 -0.000033 -0.000415 0.000048 -0.000018 9C 2dxy 0.000104 0.000004 0.000010 -0.000136 -0.000017 0.000032 9C 1f0 -0.000010 0.000000 -0.000002 0.000089 0.000014 -0.000003 9C 1f+1 -0.000013 -0.000007 -0.000006 0.000183 0.000021 -0.000010 9C 1f-1 -0.000036 -0.000000 -0.000004 0.000471 0.000021 -0.000022 9C 1f+2 0.000022 0.000008 0.000007 -0.000246 -0.000014 0.000026 9C 1f-2 -0.000010 -0.000002 -0.000006 0.000099 0.000010 -0.000012 9C 1f+3 0.000005 0.000002 0.000002 0.000135 -0.000001 -0.000002 9C 1f-3 -0.000005 -0.000006 -0.000002 0.000120 0.000007 -0.000011 10H 1s -0.000001 -0.000006 0.000068 0.000002 0.000017 -0.000013 10H 2s -0.000122 -0.000020 0.000411 -0.000006 -0.000038 0.000029 10H 3s 0.000062 0.000001 0.000217 -0.000030 -0.000069 0.000038 10H 1pz -0.000004 -0.000001 -0.000083 0.000003 0.000002 -0.000002 10H 1px 0.000019 0.000004 -0.000180 0.000003 -0.000007 0.000007 10H 1py -0.000002 -0.000006 -0.000050 0.000003 0.000002 0.000000 11H 1s 0.000020 0.000013 -0.000111 0.000002 0.000005 0.000000 11H 2s -0.000011 0.000049 -0.000536 -0.000038 0.000021 0.000032 11H 3s -0.000316 -0.000007 -0.000290 -0.000068 -0.000224 -0.000170 11H 1pz -0.000004 -0.000004 -0.000112 -0.000005 0.000023 -0.000005 11H 1px 0.000013 0.000012 -0.000087 -0.000004 0.000013 0.000006 11H 1py -0.000012 -0.000007 -0.000093 0.000001 -0.000005 -0.000008 12H 1s 0.000011 0.000004 -0.000049 0.000002 0.000008 -0.000006 12H 2s -0.000034 -0.000090 -0.000360 -0.000026 -0.000045 -0.000004 12H 3s -0.000180 0.000141 -0.000143 -0.000056 0.000045 0.000072 12H 1pz -0.000001 -0.000010 -0.000158 0.000001 0.000006 -0.000004 12H 1px 0.000008 0.000002 -0.000106 -0.000002 -0.000004 -0.000004 12H 1py -0.000001 -0.000029 -0.000050 -0.000003 0.000003 -0.000018 13H 1s 0.000003 -0.000011 0.000012 0.000015 0.000058 -0.000001 13H 2s -0.000083 -0.000016 -0.000030 -0.000051 0.000323 0.000018 13H 3s -0.000056 0.000109 -0.000028 -0.000054 0.000198 0.000025 13H 1pz -0.000003 -0.000013 0.000005 0.000004 0.000043 0.000000 13H 1px 0.000006 0.000004 -0.000005 -0.000000 -0.000145 -0.000006 13H 1py -0.000004 0.000003 -0.000002 -0.000001 0.000133 0.000005 14H 1s 0.000011 0.000000 0.000008 0.000011 -0.000026 -0.000003 14H 2s -0.000040 -0.000059 0.000007 -0.000036 -0.000248 0.000013 14H 3s -0.000178 0.000196 -0.000054 0.000010 -0.000062 0.000059 14H 1pz 0.000001 -0.000031 0.000013 0.000006 0.000003 -0.000000 14H 1px 0.000006 -0.000013 0.000013 0.000001 -0.000073 0.000001 14H 1py -0.000002 0.000014 -0.000005 -0.000006 0.000185 0.000005 15H 1s 0.000010 0.000019 -0.000001 0.000007 -0.000125 -0.000005 15H 2s -0.000002 0.000035 -0.000028 0.000032 -0.000546 0.000028 15H 3s -0.000177 0.000058 0.000205 -0.000252 -0.000325 0.000070 15H 1pz -0.000003 -0.000025 0.000013 -0.000008 -0.000041 -0.000003 15H 1px 0.000006 0.000001 0.000000 0.000007 -0.000086 0.000000 15H 1py -0.000010 0.000023 -0.000005 -0.000027 0.000122 -0.000003 16H 1s 0.000008 -0.000078 0.000008 -0.000006 -0.000005 -0.000001 16H 2s -0.000066 0.000565 -0.000165 0.000068 -0.000004 0.000025 16H 3s -0.000058 -0.000257 0.000213 0.000061 0.000144 -0.000140 16H 1pz -0.000017 0.000085 -0.000021 0.000010 0.000000 0.000008 16H 1px 0.000015 -0.000033 0.000001 0.000004 0.000000 0.000007 16H 1py 0.000001 -0.000021 -0.000011 0.000001 -0.000014 -0.000006 17H 1s 0.000012 -0.000057 0.000001 -0.000005 -0.000006 -0.000009 17H 2s -0.000079 0.000701 -0.000017 -0.000013 0.000074 0.000197 17H 3s 0.000048 0.000102 0.000131 0.000141 0.000076 -0.000213 17H 1pz 0.000010 -0.000020 0.000009 -0.000001 -0.000010 -0.000021 17H 1px 0.000002 -0.000166 -0.000000 0.000000 -0.000005 -0.000022 17H 1py -0.000002 0.000001 0.000005 -0.000015 0.000003 0.000019 18H 1s -0.000056 0.000014 -0.000005 0.000000 0.000009 0.000007 18H 2s 0.000698 -0.000099 -0.000019 -0.000010 -0.000194 -0.000083 18H 3s 0.000107 0.000044 0.000144 0.000127 0.000215 -0.000068 18H 1pz 0.000020 -0.000011 0.000000 -0.000008 -0.000021 -0.000011 18H 1px 0.000166 -0.000007 -0.000002 0.000001 -0.000022 -0.000006 18H 1py 0.000002 0.000002 0.000016 -0.000006 0.000018 0.000004 19H 1s -0.000078 0.000010 -0.000005 0.000008 0.000001 0.000006 19H 2s 0.000565 -0.000083 0.000065 -0.000164 -0.000031 -0.000002 19H 3s -0.000254 -0.000048 0.000064 0.000212 0.000147 -0.000138 19H 1pz -0.000086 0.000019 -0.000009 0.000020 0.000009 0.000002 19H 1px 0.000033 -0.000016 -0.000004 -0.000001 0.000007 0.000000 19H 1py 0.000020 -0.000001 -0.000001 0.000011 -0.000005 -0.000014 20H 1s 0.000019 0.000010 0.000006 -0.000001 -0.000000 0.000125 20H 2s 0.000033 -0.000002 0.000029 -0.000025 -0.000049 0.000544 20H 3s 0.000056 -0.000179 -0.000250 0.000208 -0.000079 0.000319 20H 1pz 0.000025 0.000002 0.000008 -0.000013 -0.000002 -0.000042 20H 1px -0.000001 -0.000006 -0.000006 -0.000001 0.000004 -0.000088 20H 1py -0.000023 0.000011 0.000026 0.000005 -0.000007 0.000122 21H 1s 0.000001 0.000011 0.000010 0.000008 0.000002 0.000028 21H 2s -0.000058 -0.000037 -0.000037 0.000008 -0.000023 0.000256 21H 3s 0.000189 -0.000184 0.000012 -0.000054 -0.000061 0.000066 21H 1pz 0.000031 -0.000001 -0.000006 -0.000013 -0.000000 0.000002 21H 1px 0.000012 -0.000006 -0.000001 -0.000013 0.000004 -0.000075 21H 1py -0.000014 0.000003 0.000005 0.000005 -0.000003 0.000185 22H 1s -0.000011 0.000003 0.000015 0.000011 0.000003 -0.000059 22H 2s -0.000019 -0.000083 -0.000050 -0.000032 -0.000005 -0.000330 22H 3s 0.000109 -0.000057 -0.000053 -0.000027 -0.000016 -0.000201 22H 1pz 0.000013 0.000003 -0.000004 -0.000004 -0.000001 0.000042 22H 1px -0.000004 -0.000006 0.000001 0.000004 -0.000001 -0.000148 22H 1py -0.000003 0.000004 0.000001 0.000003 -0.000000 0.000131 23H 1s 0.000004 0.000011 0.000001 -0.000052 0.000006 -0.000007 23H 2s -0.000090 -0.000029 -0.000030 -0.000373 0.000002 0.000045 23H 3s 0.000133 -0.000189 -0.000058 -0.000150 -0.000076 -0.000055 23H 1pz 0.000011 0.000001 0.000000 0.000156 -0.000003 0.000006 23H 1px -0.000002 -0.000008 0.000003 0.000107 -0.000003 -0.000004 23H 1py 0.000029 -0.000001 0.000004 0.000054 -0.000018 0.000002 24H 1s 0.000013 0.000020 0.000001 -0.000109 -0.000001 -0.000005 24H 2s 0.000046 -0.000013 -0.000041 -0.000533 -0.000035 -0.000019 24H 3s -0.000012 -0.000315 -0.000071 -0.000287 0.000155 0.000222 24H 1pz 0.000005 0.000005 0.000005 0.000111 -0.000005 0.000022 24H 1px -0.000013 -0.000013 0.000005 0.000088 0.000006 0.000012 24H 1py 0.000007 0.000011 -0.000001 0.000097 -0.000007 -0.000005 25H 1s -0.000006 -0.000001 0.000003 0.000068 0.000014 -0.000017 25H 2s -0.000025 -0.000123 -0.000003 0.000419 -0.000028 0.000035 25H 3s 0.000007 0.000067 -0.000028 0.000220 -0.000041 0.000065 25H 1pz 0.000001 0.000004 -0.000003 0.000080 -0.000002 0.000001 25H 1px -0.000004 -0.000019 -0.000002 0.000181 0.000009 -0.000008 25H 1py 0.000006 0.000002 -0.000003 0.000054 0.000001 0.000002 26O 1s 0.000000 -0.000001 -0.000036 -0.000000 -0.000000 0.000000 26O 2s -0.000004 0.000003 -0.000166 0.000003 -0.000003 0.000003 26O 3s 0.000055 -0.000135 0.001947 -0.000041 0.000044 -0.000040 26O 4s -0.000341 0.000261 -0.006317 0.000101 -0.000197 0.000172 26O 5s 0.000452 0.002270 -0.000770 -0.000500 0.001311 -0.001233 26O 1pz -0.000004 -0.000020 -0.000048 -0.000006 -0.000004 0.000016 26O 1px -0.000006 0.000027 -0.000378 0.000003 0.000002 0.000006 26O 1py -0.000007 0.000001 -0.000173 -0.000002 -0.000019 -0.000004 26O 2pz 0.000005 0.000200 0.000576 0.000040 -0.000000 -0.000051 26O 2px 0.000089 -0.000314 0.003997 -0.000028 0.000004 -0.000031 26O 2py 0.000053 0.000001 0.001858 0.000015 0.000077 0.000028 26O 3pz 0.000212 0.000929 0.000909 -0.000021 0.000069 0.000017 26O 3px -0.000158 -0.000223 -0.000420 0.000157 -0.000180 0.000186 26O 3py -0.000137 0.000291 0.000369 0.000051 -0.000147 -0.000007 26O 1dz2 -0.000012 -0.000002 -0.000033 0.000000 -0.000006 -0.000003 26O 1dxz 0.000003 0.000004 0.000043 -0.000002 -0.000002 0.000005 26O 1dyz -0.000002 0.000015 -0.000034 -0.000003 0.000003 0.000004 26O 1dx2y2 -0.000001 -0.000001 -0.000011 -0.000000 0.000004 -0.000003 26O 1dxy -0.000005 -0.000010 0.000011 -0.000003 -0.000003 -0.000005 26O 2dz2 0.000047 0.000016 0.001061 -0.000005 0.000033 -0.000006 26O 2dxz -0.000012 0.000016 -0.000527 0.000006 0.000018 -0.000030 26O 2dyz 0.000013 0.000054 -0.000023 0.000018 -0.000002 -0.000018 26O 2dx2y2 -0.000004 0.000042 -0.001043 0.000013 -0.000039 0.000032 26O 2dxy 0.000021 0.000126 -0.001288 0.000023 0.000001 0.000023 26O 1f0 0.000003 -0.000002 -0.000070 -0.000001 0.000002 -0.000003 26O 1f+1 0.000001 0.000024 -0.000276 0.000006 -0.000007 0.000009 26O 1f-1 0.000002 -0.000021 -0.000138 -0.000000 0.000001 0.000001 26O 1f+2 -0.000000 0.000009 0.000105 0.000000 0.000001 0.000002 26O 1f-2 -0.000000 0.000016 0.000016 0.000002 -0.000004 0.000004 26O 1f+3 -0.000003 0.000011 -0.000108 0.000003 -0.000008 0.000003 26O 1f-3 0.000004 0.000016 -0.000324 0.000005 -0.000005 0.000005 27O 1s 0.000000 -0.000000 0.000000 0.000001 -0.000037 -0.000001 27O 2s -0.000001 0.000002 -0.000001 -0.000000 -0.000166 -0.000006 27O 3s 0.000008 -0.000114 0.000017 0.000020 0.001939 0.000063 27O 4s -0.000089 0.000233 -0.000101 -0.000120 -0.006322 -0.000179 27O 5s 0.000387 0.002549 0.001226 0.001130 -0.000838 0.000713 27O 1pz 0.000004 -0.000010 0.000005 -0.000018 0.000014 0.000003 27O 1px -0.000010 0.000026 0.000002 -0.000002 -0.000408 -0.000006 27O 1py -0.000001 0.000002 0.000018 0.000002 0.000094 -0.000004 27O 2pz -0.000030 0.000116 -0.000033 0.000065 -0.000118 -0.000025 27O 2px 0.000031 -0.000415 -0.000029 0.000007 0.004344 0.000053 27O 2py 0.000025 -0.000044 -0.000051 0.000009 -0.001070 0.000025 27O 3pz 0.000110 0.000760 0.000090 -0.000060 0.000583 0.000059 27O 3px -0.000379 -0.000117 -0.000146 -0.000129 -0.000324 -0.000302 27O 3py 0.000065 -0.000724 0.000072 -0.000019 -0.000797 -0.000010 27O 1dz2 0.000001 -0.000007 -0.000007 0.000003 0.000007 -0.000001 27O 1dxz -0.000000 -0.000001 -0.000001 -0.000006 0.000022 0.000003 27O 1dyz 0.000006 -0.000003 -0.000000 -0.000004 0.000051 -0.000000 27O 1dx2y2 -0.000002 -0.000010 0.000001 0.000005 0.000019 -0.000000 27O 1dxy 0.000005 0.000007 0.000007 -0.000001 -0.000025 -0.000004 27O 2dz2 -0.000013 -0.000063 0.000021 -0.000004 0.000937 0.000023 27O 2dxz 0.000007 -0.000001 0.000018 0.000036 0.000031 -0.000006 27O 2dyz -0.000023 -0.000047 -0.000001 0.000011 -0.000238 0.000007 27O 2dx2y2 0.000017 0.000127 -0.000017 -0.000029 -0.001583 -0.000025 27O 2dxy -0.000040 -0.000107 -0.000042 -0.000012 0.000846 0.000027 27O 1f0 -0.000000 0.000009 -0.000000 0.000003 0.000040 0.000001 27O 1f+1 0.000002 0.000016 -0.000002 -0.000002 -0.000254 -0.000007 27O 1f-1 -0.000002 0.000007 -0.000003 -0.000001 0.000049 -0.000001 27O 1f+2 -0.000002 0.000034 -0.000003 -0.000006 -0.000011 -0.000004 27O 1f-2 -0.000003 -0.000013 0.000001 0.000003 0.000085 0.000004 27O 1f+3 0.000002 0.000026 -0.000008 -0.000003 -0.000319 -0.000010 27O 1f-3 -0.000004 0.000010 -0.000005 -0.000003 0.000218 0.000003 28O 1s -0.000000 0.000000 -0.000037 0.000000 -0.000000 0.000000 28O 2s -0.000002 -0.000003 -0.000166 0.000002 -0.000003 0.000002 28O 3s -0.000073 0.000051 0.001955 -0.000024 0.000049 -0.000035 28O 4s 0.000009 -0.000407 -0.006426 0.000055 -0.000203 0.000155 28O 5s 0.002622 0.000923 -0.001139 -0.000825 0.001075 -0.001208 28O 1pz 0.000007 -0.000010 -0.000265 -0.000003 -0.000007 0.000018 28O 1px -0.000038 -0.000011 0.000330 0.000000 0.000004 0.000006 28O 1py -0.000015 -0.000011 -0.000037 -0.000002 -0.000018 -0.000002 28O 2pz -0.000024 0.000049 0.002939 0.000042 0.000033 -0.000064 28O 2px 0.000328 0.000002 -0.003455 -0.000012 -0.000049 -0.000014 28O 2py 0.000130 0.000028 0.000480 0.000021 0.000068 0.000020 28O 3pz 0.000819 0.000120 0.000819 0.000176 0.000021 0.000163 28O 3px 0.000518 0.000249 0.000665 -0.000304 0.000083 -0.000150 28O 3py 0.000805 0.000370 0.000713 0.000002 -0.000023 -0.000058 28O 1dz2 0.000003 0.000006 0.000011 -0.000002 -0.000004 0.000001 28O 1dxz 0.000002 -0.000008 -0.000034 0.000001 -0.000006 -0.000002 28O 1dyz 0.000012 -0.000010 -0.000035 -0.000001 0.000000 0.000001 28O 1dx2y2 0.000005 0.000007 -0.000015 0.000002 0.000000 -0.000009 28O 1dxy -0.000009 -0.000016 -0.000044 0.000002 0.000006 0.000001 28O 2dz2 0.000060 -0.000020 -0.000284 0.000006 0.000020 -0.000017 28O 2dxz -0.000042 0.000024 0.001795 -0.000001 0.000048 -0.000011 28O 2dyz 0.000070 0.000035 -0.000086 0.000008 0.000006 -0.000009 28O 2dx2y2 0.000001 -0.000013 -0.000896 -0.000004 -0.000032 0.000050 28O 2dxy 0.000059 0.000073 0.000448 -0.000002 -0.000024 0.000001 28O 1f0 0.000017 -0.000002 -0.000162 0.000004 -0.000005 0.000008 28O 1f+1 0.000004 0.000007 -0.000221 -0.000001 -0.000003 -0.000002 28O 1f-1 -0.000013 -0.000002 -0.000038 0.000000 -0.000002 0.000001 28O 1f+2 -0.000015 -0.000006 0.000339 -0.000003 0.000009 -0.000007 28O 1f-2 -0.000014 0.000001 -0.000064 -0.000003 0.000005 -0.000002 28O 1f+3 -0.000008 -0.000000 0.000139 -0.000004 0.000007 -0.000005 28O 1f-3 0.000011 -0.000003 -0.000094 0.000001 0.000000 0.000002 29O 1s -0.000000 0.000001 0.000000 0.000000 0.000000 -0.000000 29O 2s 0.000006 -0.000019 -0.000006 -0.000003 -0.000003 0.000005 29O 3s -0.000054 0.000159 0.000043 0.000015 0.000022 -0.000032 29O 4s 0.000127 0.000159 -0.000094 0.000010 -0.000007 0.000065 29O 5s -0.000147 -0.001883 0.000147 -0.000162 -0.000165 -0.000152 29O 1pz -0.000003 0.000052 0.000006 0.000010 0.000006 -0.000011 29O 1px 0.000013 -0.000119 -0.000027 -0.000018 -0.000022 0.000025 29O 1py 0.000000 -0.000040 -0.000001 0.000007 0.000009 0.000001 29O 2pz 0.000004 -0.000132 -0.000044 -0.000021 -0.000031 0.000028 29O 2px -0.000037 0.000306 0.000108 0.000065 0.000069 -0.000116 29O 2py -0.000008 0.000200 -0.000010 -0.000030 -0.000030 0.000018 29O 3pz -0.000004 -0.000322 -0.000002 0.000062 0.000009 -0.000135 29O 3px 0.000076 0.000507 -0.000201 -0.000059 -0.000098 0.000138 29O 3py -0.000077 0.000492 -0.000021 0.000100 0.000101 0.000042 29O 1dz2 0.000003 -0.000014 -0.000003 -0.000001 -0.000003 0.000002 29O 1dxz 0.000004 -0.000065 -0.000002 -0.000005 -0.000003 0.000004 29O 1dyz 0.000000 -0.000029 -0.000003 0.000002 -0.000003 -0.000003 29O 1dx2y2 -0.000008 0.000065 0.000004 0.000005 0.000005 -0.000004 29O 1dxy -0.000003 0.000030 -0.000000 0.000002 -0.000001 -0.000003 29O 2dz2 -0.000007 0.000054 0.000023 0.000001 0.000017 -0.000007 29O 2dxz -0.000012 0.000232 0.000006 0.000022 0.000006 -0.000027 29O 2dyz 0.000002 0.000114 0.000021 -0.000014 0.000012 0.000018 29O 2dx2y2 0.000028 -0.000271 -0.000018 -0.000015 -0.000019 0.000015 29O 2dxy 0.000008 -0.000089 -0.000003 -0.000008 0.000008 0.000024 29O 1f0 -0.000002 0.000033 -0.000002 0.000002 0.000000 -0.000000 29O 1f+1 0.000001 -0.000009 -0.000001 -0.000000 -0.000001 -0.000001 29O 1f-1 -0.000001 0.000020 -0.000003 0.000000 -0.000001 0.000002 29O 1f+2 0.000003 -0.000040 -0.000001 -0.000002 -0.000003 0.000001 29O 1f-2 -0.000002 -0.000006 -0.000000 -0.000002 0.000000 0.000005 29O 1f+3 0.000004 -0.000048 -0.000001 -0.000004 -0.000004 0.000000 29O 1f-3 0.000001 -0.000021 -0.000001 -0.000001 -0.000002 -0.000001 30O 1s -0.000000 0.000000 0.000000 0.000001 -0.000036 -0.000001 30O 2s -0.000002 -0.000002 -0.000001 -0.000000 -0.000166 -0.000005 30O 3s -0.000068 0.000046 0.000017 0.000015 0.001952 0.000058 30O 4s 0.000061 -0.000506 -0.000093 -0.000092 -0.006373 -0.000161 30O 5s 0.002605 0.001378 0.001337 0.001151 -0.001025 0.000560 30O 1pz 0.000009 -0.000003 0.000006 -0.000014 -0.000207 -0.000002 30O 1px -0.000046 -0.000029 -0.000006 -0.000010 0.000300 0.000008 30O 1py -0.000001 0.000020 0.000015 0.000000 0.000215 0.000001 30O 2pz -0.000072 0.000018 -0.000048 0.000040 0.002237 0.000020 30O 2px 0.000365 0.000080 0.000035 0.000047 -0.003098 -0.000067 30O 2py 0.000012 -0.000084 -0.000035 0.000028 -0.002385 -0.000009 30O 3pz -0.000020 0.000175 -0.000077 -0.000068 0.000434 -0.000100 30O 3px 0.000809 0.000407 0.000207 0.000094 0.000821 0.000197 30O 3py -0.000373 -0.000433 0.000179 -0.000049 -0.000894 0.000076 30O 1dz2 -0.000001 0.000011 -0.000004 -0.000002 0.000030 0.000001 30O 1dxz 0.000001 -0.000010 -0.000007 0.000003 -0.000017 -0.000001 30O 1dyz -0.000016 0.000002 0.000001 -0.000003 0.000018 -0.000002 30O 1dx2y2 -0.000008 -0.000004 0.000001 0.000006 -0.000022 -0.000002 30O 1dxy 0.000006 0.000027 -0.000003 0.000003 0.000051 0.000002 30O 2dz2 -0.000028 -0.000055 0.000015 0.000014 0.000130 0.000005 30O 2dxz -0.000024 0.000017 0.000025 -0.000005 0.001220 0.000025 30O 2dyz -0.000059 -0.000020 -0.000014 -0.000000 0.000810 0.000027 30O 2dx2y2 0.000011 0.000049 -0.000024 -0.000037 -0.000237 -0.000002 30O 2dxy -0.000027 -0.000105 0.000013 -0.000011 -0.001438 -0.000027 30O 1f0 0.000023 0.000006 -0.000001 -0.000003 -0.000162 -0.000006 30O 1f+1 0.000011 -0.000001 -0.000001 0.000002 -0.000065 -0.000002 30O 1f-1 0.000003 0.000004 0.000000 0.000004 -0.000007 0.000001 30O 1f+2 0.000006 -0.000003 0.000005 0.000003 0.000134 0.000005 30O 1f-2 -0.000008 -0.000008 -0.000001 -0.000002 0.000311 0.000006 30O 1f+3 0.000006 -0.000004 0.000006 0.000003 -0.000110 -0.000000 30O 1f-3 -0.000016 -0.000001 0.000005 0.000005 0.000264 0.000010 31O 1s 0.000000 -0.000000 0.000000 0.000000 -0.000001 0.000036 31O 2s -0.000002 -0.000001 -0.000001 -0.000000 -0.000001 0.000166 31O 3s 0.000043 -0.000072 0.000026 0.000010 0.000017 -0.001953 31O 4s -0.000505 0.000084 -0.000127 -0.000071 -0.000085 0.006376 31O 5s 0.001466 0.002589 0.001155 0.001339 -0.000591 0.001004 31O 1pz 0.000003 -0.000009 0.000015 -0.000007 0.000006 -0.000206 31O 1px 0.000031 0.000045 0.000008 0.000007 -0.000004 0.000301 31O 1py -0.000020 0.000001 -0.000001 -0.000015 -0.000008 0.000214 31O 2pz -0.000016 0.000074 -0.000051 0.000056 -0.000066 0.002237 31O 2px -0.000093 -0.000366 -0.000031 -0.000045 0.000052 -0.003099 31O 2py 0.000083 -0.000018 -0.000015 0.000026 0.000083 -0.002383 31O 3pz -0.000174 0.000032 0.000065 0.000081 -0.000116 0.000432 31O 3px -0.000433 -0.000809 -0.000099 -0.000207 0.000163 0.000828 31O 3py 0.000448 0.000352 0.000053 -0.000182 0.000108 -0.000894 31O 1dz2 0.000011 -0.000001 -0.000002 -0.000004 0.000000 -0.000030 31O 1dxz -0.000010 0.000002 0.000003 -0.000007 0.000000 0.000017 31O 1dyz 0.000002 -0.000016 -0.000003 0.000001 0.000003 -0.000018 31O 1dx2y2 -0.000004 -0.000008 0.000006 0.000001 0.000001 0.000022 31O 1dxy 0.000028 0.000004 0.000004 -0.000004 0.000000 -0.000051 31O 2dz2 -0.000056 -0.000026 0.000015 0.000015 0.000000 -0.000129 31O 2dxz 0.000016 -0.000027 0.000002 0.000020 0.000022 -0.001221 31O 2dyz -0.000022 -0.000060 0.000004 -0.000017 0.000004 -0.000811 31O 2dx2y2 0.000050 0.000010 -0.000038 -0.000023 -0.000007 0.000237 31O 2dxy -0.000106 -0.000022 -0.000018 0.000019 -0.000028 0.001438 31O 1f0 -0.000007 -0.000023 0.000004 0.000001 0.000000 -0.000162 31O 1f+1 0.000000 -0.000011 -0.000002 0.000001 0.000001 -0.000065 31O 1f-1 -0.000005 -0.000003 -0.000003 -0.000000 0.000001 -0.000007 31O 1f+2 0.000003 -0.000006 -0.000004 -0.000005 -0.000000 0.000134 31O 1f-2 0.000009 0.000008 0.000001 0.000002 -0.000006 0.000311 31O 1f+3 0.000004 -0.000006 -0.000002 -0.000006 0.000004 -0.000110 31O 1f-3 0.000002 0.000016 -0.000006 -0.000004 -0.000001 0.000264 32O 1s 0.000001 -0.000000 0.000000 0.000000 0.000000 -0.000000 32O 2s -0.000019 0.000006 -0.000003 -0.000006 -0.000005 0.000003 32O 3s 0.000156 -0.000058 0.000016 0.000042 0.000033 -0.000021 32O 4s 0.000164 0.000121 0.000008 -0.000094 -0.000065 0.000005 32O 5s -0.001889 -0.000090 -0.000156 0.000142 0.000149 0.000175 32O 1pz -0.000052 0.000005 -0.000010 -0.000006 -0.000011 0.000005 32O 1px 0.000118 -0.000017 0.000019 0.000027 0.000026 -0.000021 32O 1py 0.000040 -0.000001 -0.000007 0.000001 0.000001 0.000009 32O 2pz 0.000135 -0.000009 0.000020 0.000043 0.000029 -0.000028 32O 2px -0.000303 0.000046 -0.000068 -0.000105 -0.000120 0.000065 32O 2py -0.000200 0.000014 0.000030 0.000010 0.000019 -0.000029 32O 3pz 0.000326 -0.000007 -0.000062 0.000005 -0.000133 0.000004 32O 3px -0.000503 -0.000060 0.000063 0.000199 0.000143 -0.000093 32O 3py -0.000487 0.000092 -0.000098 0.000020 0.000038 0.000104 32O 1dz2 -0.000014 0.000004 -0.000001 -0.000003 -0.000002 0.000003 32O 1dxz -0.000064 0.000006 -0.000005 -0.000002 -0.000004 0.000002 32O 1dyz -0.000028 0.000001 0.000002 -0.000004 0.000003 0.000003 32O 1dx2y2 0.000064 -0.000010 0.000005 0.000004 0.000004 -0.000005 32O 1dxy 0.000030 -0.000004 0.000002 -0.000000 0.000003 0.000001 32O 2dz2 0.000051 -0.000010 0.000002 0.000022 0.000009 -0.000015 32O 2dxz 0.000230 -0.000020 0.000023 0.000004 0.000027 -0.000004 32O 2dyz 0.000112 -0.000002 -0.000014 0.000022 -0.000017 -0.000013 32O 2dx2y2 -0.000270 0.000037 -0.000015 -0.000018 -0.000015 0.000019 32O 2dxy -0.000090 0.000011 -0.000009 -0.000002 -0.000024 -0.000009 32O 1f0 -0.000032 0.000003 -0.000002 0.000001 -0.000000 0.000000 32O 1f+1 0.000009 -0.000001 0.000000 0.000001 -0.000001 -0.000001 32O 1f-1 -0.000020 0.000002 -0.000000 0.000003 0.000003 -0.000000 32O 1f+2 0.000040 -0.000005 0.000002 0.000001 0.000001 -0.000003 32O 1f-2 0.000006 0.000002 0.000002 0.000000 0.000004 0.000001 32O 1f+3 0.000047 -0.000006 0.000004 0.000001 0.000000 -0.000004 32O 1f-3 0.000022 -0.000002 0.000001 0.000001 -0.000001 -0.000002 33O 1s 0.000000 -0.000000 -0.000000 -0.000037 -0.000000 0.000000 33O 2s -0.000003 -0.000002 0.000001 -0.000166 -0.000003 0.000003 33O 3s 0.000049 -0.000076 -0.000008 0.001955 0.000047 -0.000054 33O 4s -0.000407 0.000027 0.000003 -0.006427 -0.000197 0.000218 33O 5s 0.001013 0.002604 -0.000824 -0.001152 0.001234 -0.001034 33O 1pz 0.000010 -0.000007 0.000005 0.000264 0.000019 -0.000007 33O 1px 0.000013 0.000037 -0.000003 -0.000330 0.000004 0.000005 33O 1py 0.000011 0.000015 0.000002 0.000038 -0.000001 -0.000018 33O 2pz -0.000047 0.000027 -0.000065 -0.002936 -0.000082 0.000040 33O 2px -0.000014 -0.000330 0.000040 0.003459 0.000007 -0.000060 33O 2py -0.000033 -0.000128 -0.000025 -0.000484 0.000014 0.000070 33O 3pz -0.000146 -0.000817 -0.000182 -0.000822 0.000157 0.000028 33O 3px -0.000266 -0.000517 0.000298 -0.000662 -0.000155 0.000082 33O 3py -0.000398 -0.000793 -0.000009 -0.000719 -0.000059 -0.000022 33O 1dz2 0.000006 0.000003 -0.000002 0.000011 -0.000001 0.000004 33O 1dxz -0.000008 0.000003 0.000001 -0.000034 0.000002 0.000006 33O 1dyz -0.000009 0.000013 -0.000001 -0.000034 -0.000001 -0.000000 33O 1dx2y2 0.000007 0.000004 0.000002 -0.000015 0.000009 0.000000 33O 1dxy -0.000016 -0.000008 0.000001 -0.000045 -0.000001 -0.000006 33O 2dz2 -0.000018 0.000061 0.000004 -0.000282 0.000015 -0.000018 33O 2dxz 0.000022 -0.000044 0.000013 0.001795 0.000023 -0.000053 33O 2dyz 0.000037 0.000069 0.000007 -0.000088 0.000009 -0.000005 33O 2dx2y2 -0.000013 0.000003 -0.000012 -0.000898 -0.000056 0.000033 33O 2dxy 0.000076 0.000056 0.000001 0.000452 0.000000 0.000022 33O 1f0 0.000002 -0.000018 -0.000002 0.000163 0.000009 -0.000005 33O 1f+1 -0.000007 -0.000004 0.000002 0.000220 -0.000001 -0.000003 33O 1f-1 0.000003 0.000013 0.000000 0.000038 0.000001 -0.000002 33O 1f+2 0.000006 0.000015 0.000001 -0.000339 -0.000009 0.000009 33O 1f-2 -0.000001 0.000014 0.000004 0.000064 -0.000002 0.000005 33O 1f+3 0.000001 0.000008 0.000002 -0.000139 -0.000006 0.000007 33O 1f-3 0.000002 -0.000012 -0.000000 0.000095 0.000002 -0.000000 34O 1s -0.000000 0.000000 0.000000 0.000000 -0.000001 0.000037 34O 2s 0.000002 -0.000001 -0.000001 -0.000000 -0.000001 0.000166 34O 3s -0.000114 0.000012 0.000031 0.000011 0.000012 -0.001940 34O 4s 0.000234 -0.000100 -0.000154 -0.000080 -0.000066 0.006325 34O 5s 0.002544 0.000319 0.001133 0.001228 -0.000740 0.000809 34O 1pz 0.000010 -0.000004 0.000018 -0.000005 0.000003 0.000014 34O 1px -0.000026 0.000010 0.000005 -0.000003 0.000010 -0.000408 34O 1py -0.000002 0.000001 -0.000003 -0.000017 -0.000008 0.000094 34O 2pz -0.000115 0.000033 -0.000064 0.000034 -0.000020 -0.000120 34O 2px 0.000413 -0.000043 -0.000029 0.000044 -0.000115 0.004343 34O 2py 0.000042 -0.000026 -0.000002 0.000046 0.000066 -0.001070 34O 3pz -0.000761 -0.000089 0.000057 -0.000091 0.000036 0.000584 34O 3px 0.000128 0.000373 0.000130 0.000145 -0.000289 -0.000338 34O 3py 0.000716 -0.000080 0.000022 -0.000073 0.000022 -0.000793 34O 1dz2 -0.000007 0.000001 0.000003 -0.000007 0.000001 -0.000007 34O 1dxz -0.000001 0.000000 -0.000006 -0.000002 -0.000002 -0.000022 34O 1dyz -0.000003 0.000006 -0.000004 -0.000000 0.000002 -0.000051 34O 1dx2y2 -0.000010 -0.000002 0.000006 0.000001 0.000001 -0.000019 34O 1dxy 0.000008 0.000005 -0.000001 0.000007 0.000003 0.000025 34O 2dz2 -0.000063 -0.000012 0.000001 0.000018 0.000013 -0.000937 34O 2dxz -0.000001 0.000006 0.000037 0.000018 0.000007 -0.000032 34O 2dyz -0.000047 -0.000023 0.000009 -0.000001 -0.000016 0.000238 34O 2dx2y2 0.000128 0.000012 -0.000038 -0.000012 -0.000037 0.001582 34O 2dxy -0.000109 -0.000036 -0.000008 -0.000045 0.000005 -0.000847 34O 1f0 -0.000009 0.000001 -0.000003 0.000000 -0.000001 0.000041 34O 1f+1 -0.000016 -0.000001 0.000003 0.000001 0.000003 -0.000254 34O 1f-1 -0.000007 0.000002 0.000001 0.000003 -0.000003 0.000049 34O 1f+2 -0.000034 0.000003 0.000006 0.000003 -0.000003 -0.000011 34O 1f-2 0.000013 0.000003 -0.000004 -0.000000 0.000000 0.000085 34O 1f+3 -0.000026 -0.000001 0.000005 0.000007 0.000002 -0.000319 34O 1f-3 -0.000010 0.000004 0.000002 0.000005 -0.000006 0.000218 35O 1s -0.000001 0.000000 -0.000000 -0.000036 -0.000000 0.000000 35O 2s 0.000003 -0.000004 0.000002 -0.000166 -0.000004 0.000003 35O 3s -0.000134 0.000060 -0.000025 0.001947 0.000052 -0.000049 35O 4s 0.000254 -0.000353 0.000049 -0.006317 -0.000214 0.000211 35O 5s 0.002287 0.000385 -0.000494 -0.000777 0.001273 -0.001271 35O 1pz 0.000020 0.000004 0.000006 0.000048 0.000017 -0.000003 35O 1px -0.000027 0.000006 -0.000000 0.000378 0.000008 0.000001 35O 1py -0.000001 0.000007 0.000004 0.000173 -0.000003 -0.000020 35O 2pz -0.000200 0.000001 -0.000045 -0.000575 -0.000055 -0.000001 35O 2px 0.000313 -0.000099 -0.000004 -0.003996 -0.000053 0.000015 35O 2py -0.000001 -0.000053 -0.000030 -0.001861 0.000015 0.000083 35O 3pz -0.000931 -0.000187 0.000014 -0.000903 0.000011 0.000073 35O 3px 0.000234 0.000151 -0.000152 0.000422 0.000193 -0.000179 35O 3py -0.000280 0.000141 -0.000053 -0.000369 -0.000004 -0.000147 35O 1dz2 -0.000002 -0.000012 -0.000000 -0.000032 0.000003 0.000006 35O 1dxz 0.000004 0.000003 -0.000002 0.000043 -0.000004 0.000002 35O 1dyz 0.000015 -0.000002 -0.000003 -0.000034 -0.000004 -0.000003 35O 1dx2y2 -0.000001 -0.000001 -0.000000 -0.000011 0.000003 -0.000003 35O 1dxy -0.000010 -0.000004 -0.000003 0.000011 0.000004 0.000003 35O 2dz2 0.000016 0.000047 0.000003 0.001060 0.000013 -0.000036 35O 2dxz 0.000016 -0.000013 0.000002 -0.000527 0.000027 -0.000015 35O 2dyz 0.000054 0.000012 0.000018 -0.000022 0.000018 0.000003 35O 2dx2y2 0.000043 -0.000005 0.000005 -0.001041 -0.000039 0.000041 35O 2dxy 0.000128 0.000016 0.000012 -0.001290 -0.000031 0.000002 35O 1f0 0.000002 -0.000003 0.000002 0.000070 -0.000003 0.000002 35O 1f+1 -0.000024 -0.000001 -0.000004 0.000275 0.000010 -0.000007 35O 1f-1 0.000021 -0.000003 0.000001 0.000138 0.000002 0.000001 35O 1f+2 -0.000009 0.000000 -0.000001 -0.000105 0.000002 0.000001 35O 1f-2 -0.000016 0.000001 -0.000003 -0.000016 0.000005 -0.000004 35O 1f+3 -0.000011 0.000003 -0.000002 0.000107 0.000004 -0.000008 35O 1f-3 -0.000016 -0.000004 -0.000002 0.000325 0.000007 -0.000005 42 43 44 45 46 47 -10.11817 -10.11815 -10.11811 -10.11806 -2.91932 -2.91607 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s -0.000001 -0.000000 0.000001 -0.000000 -0.040775 0.044301 0Rh 2s -0.000005 -0.000000 0.000007 -0.000001 0.153779 -0.167238 0Rh 3s -0.000007 -0.000001 0.000008 -0.000001 -0.135042 0.146627 0Rh 4s 0.000022 0.000001 -0.000028 0.000004 -0.556866 0.605862 0Rh 5s -0.000033 0.000009 0.000045 -0.000019 0.318522 -0.347899 0Rh 6s 0.000008 -0.000056 -0.000026 0.000068 0.595612 -0.644273 0Rh 7s 0.000490 0.000834 -0.000406 -0.000852 0.037636 -0.066031 0Rh 8s -0.000400 0.000118 0.000276 -0.000060 -0.001576 -0.006812 0Rh 1pz -0.000000 0.000001 0.000001 -0.000002 0.000135 0.000013 0Rh 1px -0.000001 -0.000000 0.000001 0.000000 -0.000392 -0.000068 0Rh 1py 0.000001 -0.000002 0.000001 -0.000001 -0.000059 -0.000025 0Rh 2pz 0.000001 -0.000006 -0.000005 0.000012 -0.000440 -0.000032 0Rh 2px 0.000007 0.000001 -0.000006 -0.000002 0.001269 0.000195 0Rh 2py -0.000007 0.000011 -0.000004 0.000005 0.000190 0.000078 0Rh 3pz -0.000006 0.000036 0.000032 -0.000074 0.000261 -0.000010 0Rh 3px -0.000046 -0.000005 0.000037 0.000013 -0.000661 -0.000052 0Rh 3py 0.000041 -0.000068 0.000025 -0.000033 -0.000084 -0.000043 0Rh 4pz 0.000016 -0.000097 -0.000084 0.000196 0.000676 -0.000081 0Rh 4px 0.000126 0.000019 -0.000103 -0.000039 -0.002207 0.000140 0Rh 4py -0.000109 0.000181 -0.000069 0.000085 -0.000379 -0.000014 0Rh 5pz -0.000021 0.000157 0.000132 -0.000309 -0.000716 0.000405 0Rh 5px -0.000215 -0.000046 0.000177 0.000076 0.002522 -0.001159 0Rh 5py 0.000173 -0.000286 0.000113 -0.000129 0.000546 -0.000244 0Rh 6pz 0.000038 0.000001 -0.000564 0.000182 0.000303 -0.008609 0Rh 6px 0.000645 0.000202 -0.000516 -0.000187 -0.001810 0.026785 0Rh 6py -0.000667 0.000196 -0.000375 -0.000066 -0.002585 0.005590 0Rh 1dz2 0.000001 0.000000 -0.000000 0.000001 -0.000265 0.000389 0Rh 1dxz -0.000001 0.000001 0.000001 -0.000001 -0.000306 0.000469 0Rh 1dyz 0.000000 0.000001 0.000001 0.000000 -0.000066 0.000096 0Rh 1dx2y2 -0.000000 0.000001 0.000000 0.000000 0.000482 -0.000729 0Rh 1dxy 0.000002 -0.000001 0.000002 -0.000001 0.000217 -0.000313 0Rh 2dz2 -0.000009 -0.000002 0.000000 -0.000006 -0.000049 0.000074 0Rh 2dxz 0.000005 -0.000006 -0.000008 0.000008 -0.000030 0.000062 0Rh 2dyz -0.000003 -0.000007 -0.000007 -0.000003 -0.000014 0.000021 0Rh 2dx2y2 0.000003 -0.000005 -0.000003 -0.000003 0.000065 -0.000116 0Rh 2dxy -0.000011 0.000006 -0.000011 0.000004 0.000040 -0.000057 0Rh 3dz2 0.000026 0.000005 -0.000001 0.000018 0.000510 -0.000736 0Rh 3dxz -0.000015 0.000017 0.000025 -0.000024 0.000517 -0.000811 0Rh 3dyz 0.000009 0.000021 0.000023 0.000008 0.000131 -0.000186 0Rh 3dx2y2 -0.000009 0.000014 0.000008 0.000008 -0.000866 0.001317 0Rh 3dxy 0.000034 -0.000018 0.000032 -0.000012 -0.000414 0.000579 0Rh 4dz2 -0.000059 -0.000011 -0.000001 -0.000036 0.000608 -0.000489 0Rh 4dxz 0.000034 -0.000037 -0.000053 0.000052 0.000859 -0.000699 0Rh 4dyz -0.000024 -0.000043 -0.000056 -0.000013 0.000149 -0.000119 0Rh 4dx2y2 0.000018 -0.000029 -0.000019 -0.000017 -0.001255 0.001003 0Rh 4dxy -0.000075 0.000039 -0.000074 0.000026 -0.000491 0.000421 0Rh 5dz2 0.000121 -0.000005 0.000016 -0.000017 -0.000899 0.000413 0Rh 5dxz -0.000056 0.000091 0.000081 -0.000093 -0.001325 0.000713 0Rh 5dyz 0.000049 -0.000049 0.000125 -0.000130 -0.000218 0.000074 0Rh 5dx2y2 -0.000036 -0.000004 0.000052 0.000047 0.001946 -0.000987 0Rh 5dxy 0.000126 -0.000111 0.000149 -0.000082 0.000657 -0.000285 0Rh 1f0 0.000000 0.000000 0.000002 0.000004 -0.000149 0.000024 0Rh 1f+1 -0.000004 -0.000000 -0.000006 -0.000001 0.000115 -0.000015 0Rh 1f-1 0.000004 0.000001 0.000001 0.000002 -0.000006 0.000021 0Rh 1f+2 0.000002 0.000002 0.000002 0.000000 0.000210 -0.000061 0Rh 1f-2 -0.000009 -0.000005 -0.000009 -0.000005 0.000054 0.000001 0Rh 1f+3 0.000004 0.000001 -0.000001 -0.000001 0.000220 -0.000033 0Rh 1f-3 0.000002 0.000006 0.000004 0.000002 0.000113 -0.000001 1Rh 1s -0.000000 -0.000001 -0.000000 0.000001 -0.044224 -0.040858 1Rh 2s -0.000001 -0.000005 -0.000000 0.000007 0.166801 0.154252 1Rh 3s -0.000001 -0.000007 -0.000000 0.000008 -0.146454 -0.135220 1Rh 4s 0.000001 0.000022 0.000003 -0.000028 -0.604033 -0.558829 1Rh 5s 0.000009 -0.000033 -0.000018 0.000046 0.345576 0.320963 1Rh 6s -0.000055 0.000009 0.000066 -0.000027 0.645810 0.594023 1Rh 7s 0.000825 0.000493 -0.000843 -0.000403 0.042800 0.062733 1Rh 8s 0.000116 -0.000406 -0.000061 0.000280 -0.001041 0.006921 1Rh 1pz -0.000001 0.000000 0.000002 -0.000001 -0.000133 0.000024 1Rh 1px 0.000000 0.000001 -0.000000 -0.000001 0.000383 -0.000102 1Rh 1py 0.000002 -0.000001 0.000001 -0.000001 0.000056 -0.000030 1Rh 2pz 0.000006 -0.000001 -0.000012 0.000005 0.000433 -0.000070 1Rh 2px -0.000001 -0.000007 0.000002 0.000006 -0.001241 0.000305 1Rh 2py -0.000011 0.000007 -0.000005 0.000004 -0.000181 0.000095 1Rh 3pz -0.000036 0.000006 0.000074 -0.000031 -0.000257 0.000014 1Rh 3px 0.000005 0.000046 -0.000013 -0.000036 0.000647 -0.000110 1Rh 3py 0.000069 -0.000041 0.000032 -0.000026 0.000079 -0.000051 1Rh 4pz 0.000096 -0.000015 -0.000196 0.000083 -0.000681 -0.000024 1Rh 4px -0.000018 -0.000126 0.000039 0.000102 0.002209 -0.000051 1Rh 4py -0.000182 0.000107 -0.000083 0.000070 0.000374 -0.000046 1Rh 5pz -0.000156 0.000019 0.000310 -0.000129 0.000748 0.000345 1Rh 5px 0.000045 0.000215 -0.000074 -0.000176 -0.002610 -0.000947 1Rh 5py 0.000286 -0.000170 0.000126 -0.000114 -0.000562 -0.000200 1Rh 6pz -0.000001 -0.000043 -0.000197 0.000565 -0.001008 -0.008548 1Rh 6px -0.000199 -0.000648 0.000182 0.000515 0.003959 0.026559 1Rh 6py -0.000209 0.000667 0.000070 0.000391 0.003011 0.005369 1Rh 1dz2 0.000000 0.000001 0.000001 -0.000000 -0.000292 -0.000363 1Rh 1dxz 0.000001 -0.000001 -0.000001 0.000001 -0.000338 -0.000439 1Rh 1dyz 0.000001 0.000000 0.000000 0.000001 -0.000073 -0.000091 1Rh 1dx2y2 0.000001 -0.000000 0.000000 0.000000 0.000532 0.000681 1Rh 1dxy -0.000001 0.000002 -0.000001 0.000002 0.000239 0.000292 1Rh 2dz2 -0.000002 -0.000009 -0.000006 0.000001 -0.000053 -0.000069 1Rh 2dxz -0.000006 0.000005 0.000008 -0.000008 -0.000033 -0.000058 1Rh 2dyz -0.000007 -0.000003 -0.000003 -0.000007 -0.000016 -0.000019 1Rh 2dx2y2 -0.000005 0.000003 -0.000003 -0.000003 0.000071 0.000107 1Rh 2dxy 0.000006 -0.000011 0.000004 -0.000011 0.000044 0.000053 1Rh 3dz2 0.000005 0.000026 0.000018 -0.000001 0.000562 0.000686 1Rh 3dxz 0.000017 -0.000015 -0.000024 0.000024 0.000574 0.000759 1Rh 3dyz 0.000021 0.000009 0.000008 0.000023 0.000145 0.000175 1Rh 3dx2y2 0.000014 -0.000009 0.000008 0.000008 -0.000958 -0.001230 1Rh 3dxy -0.000018 0.000034 -0.000012 0.000032 -0.000454 -0.000539 1Rh 4dz2 -0.000011 -0.000059 -0.000038 -0.000000 0.000635 0.000431 1Rh 4dxz -0.000037 0.000034 0.000052 -0.000052 0.000897 0.000616 1Rh 4dyz -0.000043 -0.000024 -0.000013 -0.000057 0.000157 0.000106 1Rh 4dx2y2 -0.000029 0.000018 -0.000017 -0.000019 -0.001308 -0.000882 1Rh 4dxy 0.000039 -0.000075 0.000026 -0.000074 -0.000517 -0.000374 1Rh 5dz2 -0.000005 0.000122 -0.000013 0.000015 -0.000928 -0.000343 1Rh 5dxz 0.000092 -0.000055 -0.000092 0.000081 -0.001374 -0.000607 1Rh 5dyz -0.000046 0.000051 -0.000127 0.000128 -0.000223 -0.000056 1Rh 5dx2y2 -0.000002 -0.000036 0.000048 0.000051 0.002014 0.000834 1Rh 5dxy -0.000111 0.000127 -0.000082 0.000149 0.000680 0.000234 1Rh 1f0 -0.000000 -0.000000 -0.000004 -0.000002 0.000149 0.000011 1Rh 1f+1 0.000000 0.000004 0.000001 0.000006 -0.000116 -0.000005 1Rh 1f-1 -0.000001 -0.000004 -0.000002 -0.000001 0.000008 0.000020 1Rh 1f+2 -0.000002 -0.000002 -0.000000 -0.000002 -0.000214 -0.000043 1Rh 1f-2 0.000005 0.000009 0.000005 0.000009 -0.000054 0.000005 1Rh 1f+3 -0.000001 -0.000004 0.000001 0.000001 -0.000221 -0.000014 1Rh 1f-3 -0.000006 -0.000002 -0.000002 -0.000004 -0.000112 0.000009 2C 1s -0.000117 -0.000534 0.467553 0.000536 -0.000001 -0.000000 2C 2s -0.000152 -0.000695 0.609358 0.000698 -0.000016 0.000011 2C 3s 0.000039 0.000039 0.030624 0.000098 -0.001593 0.000009 2C 4s -0.000318 -0.000461 -0.012733 -0.000391 0.010455 -0.000176 2C 5s -0.000656 -0.000552 0.023539 0.000121 -0.024889 -0.001122 2C 1pz 0.000007 0.000008 0.000393 0.000007 -0.000080 -0.000006 2C 1px 0.000002 0.000000 0.000027 0.000001 -0.000036 0.000012 2C 1py 0.000002 0.000008 0.000275 0.000004 -0.000042 0.000001 2C 2pz -0.000187 -0.000277 0.000594 -0.000179 0.004889 0.000110 2C 2px -0.000018 -0.000061 -0.000101 -0.000037 0.001297 -0.000317 2C 2py -0.000133 -0.000181 0.000446 -0.000117 0.003163 -0.000054 2C 3pz -0.000201 -0.000066 0.001527 -0.000006 -0.004918 0.000154 2C 3px -0.000052 0.000014 0.000094 -0.000005 -0.000863 -0.000589 2C 3py 0.000021 -0.000174 0.001146 0.000016 -0.003353 -0.000143 2C 1dz2 0.000002 -0.000011 0.000017 -0.000002 0.000084 0.000001 2C 1dxz -0.000001 -0.000005 -0.000029 -0.000003 0.000046 -0.000010 2C 1dyz -0.000009 -0.000004 0.000064 -0.000007 0.000121 -0.000002 2C 1dx2y2 0.000007 0.000000 0.000026 0.000001 -0.000054 0.000002 2C 1dxy 0.000002 -0.000004 0.000023 -0.000002 0.000019 -0.000006 2C 2dz2 -0.000063 -0.000037 0.000014 -0.000043 0.001220 0.000148 2C 2dxz -0.000025 -0.000019 0.000340 -0.000021 0.000348 -0.000162 2C 2dyz -0.000039 -0.000102 -0.000154 -0.000054 0.001981 0.000049 2C 2dx2y2 0.000005 0.000038 -0.000288 0.000021 -0.000312 -0.000037 2C 2dxy -0.000010 -0.000013 -0.000041 -0.000011 0.000462 -0.000138 2C 1f0 -0.000003 -0.000004 0.000271 -0.000002 0.000062 0.000018 2C 1f+1 -0.000004 -0.000008 0.000127 -0.000003 0.000075 -0.000017 2C 1f-1 -0.000005 -0.000011 0.000455 -0.000011 0.000291 0.000001 2C 1f+2 0.000005 0.000009 -0.000706 0.000005 -0.000163 0.000004 2C 1f-2 -0.000002 -0.000005 0.000777 -0.000004 0.000113 -0.000048 2C 1f+3 -0.000001 0.000001 -0.000613 -0.000002 0.000031 0.000006 2C 1f-3 -0.000002 -0.000004 -0.000104 -0.000001 0.000026 0.000008 3C 1s -0.467550 -0.001694 -0.000118 -0.000209 -0.000001 -0.000000 3C 2s -0.609355 -0.002208 -0.000154 -0.000273 -0.000015 0.000006 3C 3s -0.030630 -0.000174 -0.000084 -0.000057 -0.001583 0.000068 3C 4s 0.012726 0.000419 0.000481 0.000311 0.010418 -0.000421 3C 5s -0.023338 -0.000166 0.000463 0.000702 -0.024846 -0.001043 3C 1pz -0.000276 -0.000005 -0.000007 -0.000001 -0.000024 -0.000001 3C 1px -0.000117 -0.000003 -0.000002 -0.000001 -0.000036 0.000016 3C 1py 0.000373 0.000008 0.000008 0.000008 0.000086 -0.000003 3C 2pz -0.000537 0.000101 0.000153 0.000105 0.002601 0.000029 3C 2px -0.000128 0.000060 0.000070 0.000074 0.001955 -0.000374 3C 2py 0.000539 -0.000174 -0.000280 -0.000176 -0.004987 0.000059 3C 3pz -0.001154 -0.000025 0.000170 -0.000027 -0.002898 0.000077 3C 3px -0.000471 0.000004 0.000081 0.000056 -0.002016 -0.000549 3C 3py 0.001405 -0.000015 -0.000050 -0.000195 0.004834 0.000009 3C 1dz2 0.000028 -0.000001 -0.000008 0.000008 -0.000016 0.000003 3C 1dxz 0.000014 0.000002 0.000002 0.000006 0.000050 -0.000006 3C 1dyz 0.000078 -0.000005 -0.000004 -0.000006 -0.000103 -0.000001 3C 1dx2y2 -0.000012 -0.000002 -0.000008 -0.000001 -0.000089 0.000000 3C 1dxy 0.000009 -0.000004 -0.000003 -0.000004 -0.000074 0.000010 3C 2dz2 -0.000102 -0.000015 0.000005 -0.000038 -0.000484 0.000064 3C 2dxz -0.000234 0.000022 0.000045 0.000009 0.000416 -0.000089 3C 2dyz -0.000250 -0.000045 -0.000085 -0.000030 -0.001852 -0.000059 3C 2dx2y2 0.000210 -0.000043 -0.000044 -0.000041 -0.001068 -0.000118 3C 2dxy 0.000152 -0.000032 -0.000045 -0.000035 -0.000927 0.000173 3C 1f0 -0.000159 -0.000007 -0.000003 -0.000002 -0.000159 0.000001 3C 1f+1 -0.000148 -0.000001 0.000002 0.000002 0.000011 -0.000004 3C 1f-1 -0.000384 -0.000001 -0.000001 0.000001 -0.000025 -0.000019 3C 1f+2 0.000996 -0.000005 -0.000008 -0.000003 -0.000214 0.000005 3C 1f-2 0.000738 -0.000004 -0.000008 -0.000006 -0.000169 0.000030 3C 1f+3 -0.000221 0.000006 0.000010 0.000005 0.000151 -0.000026 3C 1f-3 -0.000036 -0.000003 -0.000006 -0.000003 -0.000096 -0.000030 4C 1s 0.000000 0.000001 -0.000390 -0.000000 -0.000009 0.000001 4C 2s 0.000003 0.000007 -0.000441 0.000003 -0.000195 0.000010 4C 3s 0.000002 -0.000113 0.000035 -0.000130 0.004754 -0.000238 4C 4s -0.000145 0.000364 0.001600 0.000629 -0.017573 0.000715 4C 5s -0.000622 -0.000371 -0.009606 -0.000124 0.010832 0.000959 4C 1pz 0.000010 -0.000000 -0.000295 0.000007 -0.000048 -0.000007 4C 1px -0.000001 0.000002 -0.000042 0.000007 -0.000021 0.000012 4C 1py 0.000001 0.000012 -0.000195 0.000007 -0.000023 -0.000005 4C 2pz -0.000268 -0.000143 0.003037 -0.000068 0.003368 0.000749 4C 2px 0.000078 -0.000160 0.000060 -0.000182 0.001005 -0.002057 4C 2py -0.000106 -0.000200 0.001885 -0.000110 0.002310 -0.000300 4C 3pz -0.000710 -0.000766 0.001540 -0.000139 -0.013243 -0.001006 4C 3px -0.000095 -0.000245 -0.001005 -0.000053 -0.002577 0.003565 4C 3py -0.000791 -0.000274 0.000665 -0.000122 -0.008763 0.000781 4C 1dz2 -0.000011 -0.000005 -0.000065 -0.000003 0.000221 0.000019 4C 1dxz -0.000007 -0.000012 -0.000062 -0.000007 0.000146 -0.000058 4C 1dyz -0.000003 -0.000009 -0.000119 -0.000004 0.000285 -0.000012 4C 1dx2y2 0.000005 0.000016 0.000045 0.000006 -0.000217 0.000009 4C 1dxy 0.000003 0.000004 -0.000036 -0.000001 0.000015 -0.000040 4C 2dz2 0.000089 0.000151 -0.001718 0.000065 -0.001731 0.000707 4C 2dxz 0.000160 0.000056 -0.001336 -0.000046 0.000038 -0.001219 4C 2dyz 0.000073 0.000154 -0.001738 0.000095 -0.003784 0.000169 4C 2dx2y2 -0.000135 -0.000125 0.001759 0.000008 -0.000365 0.000003 4C 2dxy 0.000006 -0.000037 0.000163 0.000003 -0.001411 -0.000819 4C 1f0 0.000008 -0.000006 0.000051 -0.000008 0.000195 0.000037 4C 1f+1 0.000008 -0.000006 0.000069 -0.000012 0.000379 -0.000073 4C 1f-1 -0.000012 -0.000016 0.000633 -0.000009 0.000171 0.000006 4C 1f+2 -0.000005 0.000012 -0.000220 0.000020 -0.000365 -0.000028 4C 1f-2 0.000000 -0.000009 0.000206 -0.000007 0.000054 -0.000042 4C 1f+3 -0.000010 0.000002 0.000144 0.000005 -0.000040 -0.000057 4C 1f-3 0.000006 0.000004 -0.000027 -0.000004 0.000297 -0.000045 5C 1s 0.000391 0.000001 -0.000000 0.000000 -0.000009 0.000000 5C 2s 0.000442 -0.000002 -0.000006 -0.000003 -0.000195 0.000008 5C 3s -0.000037 0.000135 0.000097 0.000018 0.004715 -0.000185 5C 4s -0.001573 -0.000665 -0.000312 0.000061 -0.017396 0.000517 5C 5s 0.009517 0.000140 0.000452 0.000562 0.010994 0.000275 5C 1pz 0.000179 -0.000004 -0.000011 0.000003 -0.000016 0.000001 5C 1px 0.000100 -0.000007 0.000002 -0.000007 -0.000013 0.000014 5C 1py -0.000291 0.000007 0.000002 0.000008 0.000050 -0.000001 5C 2pz -0.001883 0.000030 0.000206 0.000041 0.002023 0.000599 5C 2px -0.000774 0.000134 -0.000069 0.000223 0.001122 -0.002132 5C 2py 0.002934 -0.000083 -0.000214 -0.000174 -0.003517 -0.000279 5C 3pz -0.001101 0.000114 0.000222 0.000733 -0.008002 -0.001258 5C 3px 0.000490 0.000069 0.000234 0.000283 -0.003959 0.003226 5C 3py 0.001210 -0.000155 -0.000816 -0.000700 0.013166 0.000984 5C 1dz2 -0.000019 0.000002 0.000009 -0.000002 0.000021 0.000022 5C 1dxz 0.000055 0.000007 0.000011 0.000007 0.000185 -0.000038 5C 1dyz -0.000097 -0.000002 -0.000005 0.000000 -0.000230 -0.000016 5C 1dx2y2 -0.000072 -0.000005 -0.000014 -0.000012 -0.000273 -0.000017 5C 1dxy -0.000086 -0.000006 -0.000005 -0.000007 -0.000186 0.000059 5C 2dz2 0.000277 0.000030 -0.000002 -0.000052 0.001541 0.000336 5C 2dxz 0.001364 0.000010 -0.000131 -0.000060 -0.000421 -0.000587 5C 2dyz -0.001245 0.000100 0.000077 0.000067 0.003636 -0.000648 5C 2dx2y2 -0.002346 0.000016 0.000134 0.000191 0.000719 -0.000722 5C 2dxy -0.001368 0.000009 0.000161 0.000024 0.001738 0.001093 5C 1f0 0.000437 0.000003 -0.000015 -0.000007 0.000058 0.000033 5C 1f+1 0.000071 0.000005 0.000003 -0.000010 0.000239 -0.000029 5C 1f-1 0.000076 -0.000001 -0.000000 -0.000003 -0.000022 -0.000016 5C 1f+2 0.000394 -0.000009 -0.000008 -0.000009 -0.000111 -0.000058 5C 1f-2 0.000274 -0.000017 -0.000002 -0.000008 -0.000308 0.000016 5C 1f+3 -0.000291 0.000010 0.000012 -0.000007 0.000358 -0.000083 5C 1f-3 0.000087 -0.000014 -0.000004 0.000004 -0.000354 -0.000035 6C 1s -0.000002 0.000391 0.000000 -0.000000 -0.000009 0.000000 6C 2s -0.000006 0.000442 -0.000003 -0.000006 -0.000195 0.000007 6C 3s 0.000135 -0.000035 0.000014 0.000093 0.004720 -0.000195 6C 4s -0.000656 -0.001580 0.000080 -0.000293 -0.017406 0.000892 6C 5s 0.000070 0.009526 0.000576 0.000461 0.010963 -0.001173 6C 1pz 0.000005 -0.000179 -0.000003 0.000012 0.000016 0.000000 6C 1px 0.000007 -0.000100 0.000007 -0.000002 0.000014 0.000013 6C 1py -0.000009 0.000291 -0.000007 -0.000002 -0.000049 0.000003 6C 2pz -0.000044 0.001884 -0.000041 -0.000208 -0.001961 0.000756 6C 2px -0.000137 0.000764 -0.000220 0.000073 -0.001299 -0.002031 6C 2py 0.000104 -0.002935 0.000173 0.000217 0.003473 -0.000554 6C 3pz -0.000120 0.001108 -0.000739 -0.000224 0.007881 -0.001916 6C 3px -0.000066 -0.000514 -0.000287 -0.000240 0.004191 0.002902 6C 3py 0.000160 -0.001220 0.000708 0.000823 -0.013050 0.002066 6C 1dz2 0.000002 -0.000019 -0.000002 0.000009 0.000020 -0.000023 6C 1dxz 0.000006 0.000055 0.000006 0.000011 0.000188 0.000023 6C 1dyz -0.000001 -0.000097 0.000000 -0.000005 -0.000227 0.000034 6C 1dx2y2 -0.000005 -0.000072 -0.000012 -0.000014 -0.000271 0.000039 6C 1dxy -0.000005 -0.000086 -0.000007 -0.000005 -0.000190 -0.000044 6C 2dz2 0.000028 0.000279 -0.000053 -0.000003 0.001510 -0.000461 6C 2dxz 0.000000 0.001366 -0.000060 -0.000133 -0.000369 0.000616 6C 2dyz 0.000109 -0.001244 0.000063 0.000073 0.003676 0.000354 6C 2dx2y2 0.000032 -0.002346 0.000190 0.000134 0.000774 0.000664 6C 2dxy 0.000019 -0.001368 0.000023 0.000163 0.001642 -0.001229 6C 1f0 0.000000 -0.000437 0.000006 0.000016 -0.000055 0.000038 6C 1f+1 -0.000005 -0.000070 0.000011 -0.000003 -0.000241 -0.000009 6C 1f-1 0.000001 -0.000075 0.000003 0.000000 0.000020 -0.000018 6C 1f+2 0.000012 -0.000394 0.000008 0.000008 0.000106 -0.000067 6C 1f-2 0.000019 -0.000274 0.000007 0.000002 0.000309 -0.000009 6C 1f+3 -0.000013 0.000291 0.000007 -0.000012 -0.000364 -0.000054 6C 1f-3 0.000014 -0.000086 -0.000004 0.000003 0.000350 -0.000064 7C 1s 0.000000 0.000000 0.000001 -0.000390 -0.000009 0.000000 7C 2s 0.000007 0.000003 0.000004 -0.000441 -0.000195 0.000006 7C 3s -0.000114 0.000001 -0.000131 0.000035 0.004765 -0.000143 7C 4s 0.000371 -0.000141 0.000629 0.001602 -0.017618 0.000693 7C 5s -0.000377 -0.000624 -0.000100 -0.009621 0.010717 -0.001856 7C 1pz 0.000001 -0.000010 -0.000008 0.000295 0.000047 -0.000011 7C 1px -0.000002 0.000001 -0.000007 0.000041 0.000021 0.000010 7C 1py -0.000012 -0.000001 -0.000008 0.000196 0.000023 -0.000007 7C 2pz 0.000139 0.000271 0.000076 -0.003038 -0.003281 0.001018 7C 2px 0.000156 -0.000080 0.000178 -0.000046 -0.001156 -0.001964 7C 2py 0.000198 0.000108 0.000114 -0.001888 -0.002330 -0.000108 7C 3pz 0.000753 0.000718 0.000145 -0.001560 0.013115 -0.002058 7C 3px 0.000243 0.000098 0.000049 0.001031 0.002837 0.003362 7C 3py 0.000264 0.000797 0.000125 -0.000664 0.008837 0.000085 7C 1dz2 -0.000005 -0.000011 -0.000003 -0.000064 0.000219 -0.000037 7C 1dxz -0.000012 -0.000007 -0.000007 -0.000062 0.000151 0.000045 7C 1dyz -0.000009 -0.000004 -0.000004 -0.000119 0.000284 -0.000010 7C 1dx2y2 0.000017 0.000005 0.000006 0.000045 -0.000217 0.000009 7C 1dxy 0.000004 0.000003 -0.000001 -0.000036 0.000018 0.000038 7C 2dz2 0.000148 0.000089 0.000068 -0.001711 -0.001769 -0.000562 7C 2dxz 0.000054 0.000162 -0.000042 -0.001331 0.000143 0.001213 7C 2dyz 0.000153 0.000075 0.000100 -0.001744 -0.003791 0.000134 7C 2dx2y2 -0.000123 -0.000137 0.000004 0.001768 -0.000365 0.000023 7C 2dxy -0.000035 0.000006 0.000003 0.000164 -0.001343 0.000931 7C 1f0 0.000006 -0.000008 0.000008 -0.000047 -0.000190 0.000052 7C 1f+1 0.000007 -0.000008 0.000013 -0.000067 -0.000383 -0.000042 7C 1f-1 0.000016 0.000012 0.000010 -0.000633 -0.000170 0.000020 7C 1f+2 -0.000012 0.000005 -0.000021 0.000222 0.000363 -0.000057 7C 1f-2 0.000009 -0.000000 0.000007 -0.000206 -0.000058 -0.000037 7C 1f+3 -0.000002 0.000010 -0.000005 -0.000144 0.000035 -0.000060 7C 1f-3 -0.000003 -0.000006 0.000004 0.000024 -0.000303 -0.000021 8C 1s 0.001694 -0.467550 -0.000533 -0.000053 -0.000001 0.000000 8C 2s 0.002208 -0.609354 -0.000695 -0.000069 -0.000015 -0.000005 8C 3s 0.000048 -0.030631 -0.000077 -0.000079 -0.001584 0.000058 8C 4s 0.000326 0.012731 0.000313 0.000476 0.010420 -0.000413 8C 5s -0.000000 -0.023356 0.000698 0.000467 -0.024709 0.003097 8C 1pz 0.000003 0.000276 0.000002 0.000007 0.000024 -0.000002 8C 1px 0.000002 0.000116 0.000001 0.000002 0.000038 0.000013 8C 1py -0.000005 -0.000374 -0.000008 -0.000008 -0.000086 0.000004 8C 2pz -0.000104 0.000534 -0.000103 -0.000152 -0.002591 0.000238 8C 2px -0.000061 0.000124 -0.000073 -0.000068 -0.001984 -0.000217 8C 2py 0.000178 -0.000539 0.000172 0.000277 0.004970 -0.000339 8C 3pz 0.000017 0.001152 0.000027 -0.000171 0.002898 -0.000163 8C 3px -0.000008 0.000470 -0.000055 -0.000080 0.001967 -0.000714 8C 3py 0.000024 -0.001411 0.000196 0.000050 -0.004825 0.000406 8C 1dz2 -0.000002 0.000028 0.000008 -0.000008 -0.000017 -0.000002 8C 1dxz 0.000002 0.000014 0.000006 0.000002 0.000050 0.000002 8C 1dyz -0.000006 0.000078 -0.000006 -0.000004 -0.000103 0.000009 8C 1dx2y2 -0.000002 -0.000012 -0.000001 -0.000008 -0.000089 0.000007 8C 1dxy -0.000004 0.000009 -0.000004 -0.000003 -0.000074 -0.000004 8C 2dz2 -0.000014 -0.000103 -0.000038 0.000006 -0.000489 -0.000025 8C 2dxz 0.000024 -0.000237 0.000008 0.000045 0.000419 0.000055 8C 2dyz -0.000043 -0.000253 -0.000029 -0.000084 -0.001840 0.000208 8C 2dx2y2 -0.000044 0.000208 -0.000040 -0.000043 -0.001056 0.000204 8C 2dxy -0.000033 0.000154 -0.000034 -0.000044 -0.000937 -0.000098 8C 1f0 0.000006 0.000163 0.000002 0.000003 0.000159 -0.000013 8C 1f+1 -0.000000 0.000133 -0.000002 -0.000002 -0.000010 -0.000002 8C 1f-1 -0.000001 0.000381 -0.000000 0.000001 0.000023 -0.000022 8C 1f+2 0.000013 -0.000991 0.000002 0.000008 0.000213 -0.000012 8C 1f-2 0.000009 -0.000750 0.000005 0.000008 0.000171 0.000017 8C 1f+3 -0.000007 0.000215 -0.000005 -0.000010 -0.000152 -0.000014 8C 1f-3 0.000003 0.000030 0.000003 0.000006 0.000094 -0.000037 9C 1s -0.000208 -0.000053 -0.000536 0.467554 -0.000001 0.000000 9C 2s -0.000271 -0.000070 -0.000698 0.609358 -0.000016 -0.000009 9C 3s 0.000060 0.000045 0.000028 0.030625 -0.001589 0.000119 9C 4s -0.000469 -0.000329 -0.000363 -0.012730 0.010434 -0.000668 9C 5s -0.000517 -0.000656 0.000063 0.023569 -0.024737 0.003150 9C 1pz -0.000008 -0.000007 -0.000006 -0.000393 0.000078 -0.000013 9C 1px 0.000000 -0.000002 -0.000001 -0.000026 0.000036 0.000010 9C 1py -0.000008 -0.000002 -0.000004 -0.000274 0.000044 -0.000003 9C 2pz 0.000276 0.000191 0.000181 -0.000598 -0.004845 0.000504 9C 2px 0.000060 0.000018 0.000036 0.000103 -0.001313 -0.000212 9C 2py 0.000180 0.000136 0.000119 -0.000440 -0.003187 0.000205 9C 3pz 0.000060 0.000203 0.000009 -0.001536 0.004908 -0.000242 9C 3px -0.000014 0.000053 0.000006 -0.000093 0.000800 -0.000656 9C 3py 0.000173 -0.000018 -0.000012 -0.001142 0.003351 -0.000416 9C 1dz2 -0.000011 0.000002 -0.000002 0.000017 0.000083 -0.000008 9C 1dxz -0.000005 -0.000001 -0.000002 -0.000029 0.000046 0.000006 9C 1dyz -0.000004 -0.000009 -0.000007 0.000064 0.000121 -0.000008 9C 1dx2y2 0.000000 0.000007 0.000001 0.000026 -0.000054 0.000002 9C 1dxy -0.000004 0.000002 -0.000003 0.000023 0.000019 0.000004 9C 2dz2 -0.000036 -0.000063 -0.000043 0.000011 0.001195 -0.000245 9C 2dxz -0.000018 -0.000026 -0.000022 0.000344 0.000351 0.000134 9C 2dyz -0.000102 -0.000040 -0.000054 -0.000154 0.001978 -0.000211 9C 2dx2y2 0.000038 0.000006 0.000022 -0.000290 -0.000314 0.000063 9C 2dxy -0.000013 -0.000010 -0.000011 -0.000040 0.000470 0.000101 9C 1f0 0.000003 0.000003 0.000003 -0.000268 -0.000058 0.000022 9C 1f+1 0.000008 0.000004 0.000003 -0.000131 -0.000075 -0.000011 9C 1f-1 0.000011 0.000006 0.000012 -0.000447 -0.000289 0.000024 9C 1f+2 -0.000008 -0.000005 -0.000007 0.000730 0.000165 -0.000009 9C 1f-2 0.000005 0.000002 0.000006 -0.000766 -0.000115 -0.000039 9C 1f+3 -0.000000 0.000001 0.000000 0.000600 -0.000030 0.000008 9C 1f-3 0.000004 0.000002 0.000001 0.000131 -0.000026 0.000011 10H 1s 0.000003 0.000003 -0.000346 0.000001 -0.000051 -0.000002 10H 2s -0.000028 -0.000001 -0.001041 -0.000012 -0.000195 0.000130 10H 3s 0.000049 0.000026 -0.003599 -0.000011 0.001971 0.000488 10H 1pz -0.000002 0.000003 -0.000666 0.000003 -0.000144 0.000037 10H 1px 0.000001 -0.000003 0.001125 0.000001 0.000075 -0.000027 10H 1py -0.000001 0.000001 -0.000190 0.000002 -0.000092 0.000026 11H 1s 0.000001 -0.000001 -0.000399 0.000001 0.000005 -0.000023 11H 2s 0.000014 -0.000008 -0.001785 -0.000002 0.000442 0.000250 11H 3s -0.000005 0.000072 -0.003952 -0.000052 0.002000 0.000113 11H 1pz 0.000005 0.000004 -0.000858 0.000002 -0.000103 0.000042 11H 1px 0.000003 -0.000001 -0.000960 0.000002 0.000004 0.000022 11H 1py -0.000001 0.000004 0.000659 0.000000 -0.000043 -0.000012 12H 1s -0.000001 0.000001 -0.000384 -0.000000 -0.000017 -0.000023 12H 2s -0.000009 -0.000003 -0.001637 0.000002 0.000282 0.000278 12H 3s 0.000081 0.000000 -0.003828 -0.000036 0.001927 0.000040 12H 1pz 0.000004 0.000000 0.000333 0.000002 -0.000086 0.000005 12H 1px -0.000001 0.000002 -0.000645 0.000002 0.000009 0.000021 12H 1py 0.000000 0.000005 -0.001225 0.000003 -0.000108 0.000044 13H 1s 0.000353 0.000000 -0.000003 -0.000001 -0.000053 0.000002 13H 2s 0.001086 0.000017 0.000030 0.000005 -0.000141 0.000099 13H 3s 0.003587 0.000017 -0.000022 -0.000069 0.002053 0.000349 13H 1pz 0.000836 0.000001 0.000002 -0.000001 -0.000133 0.000039 13H 1px -0.000939 -0.000004 -0.000001 -0.000001 0.000028 -0.000013 13H 1py -0.000436 0.000001 -0.000001 0.000000 0.000113 -0.000022 14H 1s 0.000375 0.000001 -0.000002 0.000000 -0.000025 -0.000019 14H 2s 0.001524 -0.000002 -0.000019 0.000003 0.000247 0.000230 14H 3s 0.003767 0.000046 0.000048 -0.000071 0.001888 -0.000030 14H 1pz 0.000631 -0.000001 -0.000004 -0.000002 -0.000108 0.000018 14H 1px 0.001233 -0.000000 -0.000007 0.000001 -0.000043 0.000033 14H 1py 0.000227 0.000003 0.000000 0.000003 0.000077 -0.000006 15H 1s 0.000405 -0.000000 0.000001 0.000001 0.000009 -0.000018 15H 2s 0.001782 0.000004 0.000014 -0.000009 0.000490 0.000183 15H 3s 0.003965 0.000072 -0.000060 -0.000011 0.001983 0.000096 15H 1pz -0.000947 -0.000001 -0.000006 0.000000 -0.000056 -0.000011 15H 1px 0.000287 -0.000001 -0.000001 -0.000001 -0.000012 0.000001 15H 1py -0.001050 -0.000000 0.000001 0.000004 0.000088 -0.000039 16H 1s -0.000002 0.000002 0.000002 0.000002 0.000019 -0.000052 16H 2s 0.000097 0.000002 0.000021 -0.000029 0.001353 -0.000693 16H 3s 0.000031 -0.000004 0.000105 0.000033 -0.000222 -0.000337 16H 1pz 0.000021 -0.000000 -0.000000 -0.000000 0.000194 -0.000146 16H 1px -0.000002 -0.000004 0.000003 -0.000003 -0.000046 0.000015 16H 1py -0.000001 0.000002 0.000003 -0.000001 -0.000010 -0.000009 17H 1s -0.000005 -0.000003 -0.000002 -0.000001 0.000018 -0.000052 17H 2s 0.000075 0.000020 -0.000017 -0.000017 0.001396 -0.000717 17H 3s 0.000002 -0.000093 -0.000052 0.000021 -0.000231 -0.000304 17H 1pz -0.000012 0.000000 -0.000005 0.000004 -0.000125 0.000105 17H 1px 0.000001 -0.000005 0.000001 0.000004 -0.000189 0.000128 17H 1py -0.000002 0.000004 -0.000001 0.000001 0.000023 -0.000035 18H 1s -0.000003 -0.000005 -0.000001 -0.000002 0.000023 0.000050 18H 2s 0.000021 0.000074 -0.000016 -0.000014 0.001438 0.000596 18H 3s -0.000092 0.000003 0.000022 -0.000052 -0.000203 0.000322 18H 1pz -0.000000 0.000012 -0.000004 0.000005 0.000134 0.000095 18H 1px 0.000006 -0.000001 -0.000004 -0.000001 0.000195 0.000111 18H 1py -0.000004 0.000002 -0.000001 0.000001 -0.000021 -0.000030 19H 1s 0.000002 -0.000002 0.000002 0.000002 0.000023 0.000050 19H 2s 0.000001 0.000096 -0.000029 0.000022 0.001402 0.000581 19H 3s -0.000004 0.000033 0.000033 0.000106 -0.000191 0.000355 19H 1pz 0.000000 -0.000020 0.000000 0.000000 -0.000205 -0.000129 19H 1px 0.000004 0.000002 0.000003 -0.000003 0.000048 0.000012 19H 1py -0.000002 0.000000 0.000001 -0.000003 0.000004 -0.000014 20H 1s -0.000003 0.000405 0.000001 0.000001 0.000010 0.000017 20H 2s -0.000009 0.001783 -0.000008 0.000014 0.000472 -0.000227 20H 3s 0.000044 0.003966 -0.000010 -0.000061 0.001973 -0.000262 20H 1pz -0.000006 0.000948 0.000000 0.000006 0.000055 -0.000016 20H 1px 0.000003 -0.000297 0.000001 0.000001 0.000012 0.000001 20H 1py -0.000007 0.001047 -0.000004 -0.000001 -0.000091 -0.000033 21H 1s -0.000001 0.000376 0.000001 -0.000002 -0.000023 0.000021 21H 2s -0.000013 0.001532 0.000005 -0.000018 0.000235 -0.000254 21H 3s 0.000019 0.003772 -0.000071 0.000047 0.001886 -0.000130 21H 1pz 0.000005 -0.000640 0.000001 0.000004 0.000108 0.000010 21H 1px 0.000009 -0.001230 -0.000002 0.000007 0.000044 0.000030 21H 1py -0.000002 -0.000231 -0.000003 0.000000 -0.000077 -0.000000 22H 1s -0.000002 0.000352 -0.000000 -0.000003 -0.000053 0.000002 22H 2s 0.000009 0.001082 0.000006 0.000031 -0.000151 -0.000092 22H 3s -0.000009 0.003588 -0.000066 -0.000022 0.002020 -0.000518 22H 1pz 0.000005 -0.000829 0.000001 -0.000002 0.000135 0.000029 22H 1px -0.000003 0.000942 0.000002 0.000001 -0.000030 -0.000011 22H 1py -0.000005 0.000440 -0.000000 0.000001 -0.000116 -0.000013 23H 1s 0.000001 -0.000001 0.000001 -0.000384 -0.000014 0.000025 23H 2s -0.000002 -0.000009 0.000005 -0.001649 0.000269 -0.000305 23H 3s -0.000007 0.000080 -0.000028 -0.003838 0.001916 -0.000204 23H 1pz -0.000001 -0.000004 -0.000001 -0.000338 0.000086 -0.000002 23H 1px -0.000001 0.000001 -0.000003 0.000629 -0.000009 0.000021 23H 1py -0.000004 0.000000 -0.000005 0.001234 0.000109 0.000037 24H 1s -0.000001 0.000001 0.000002 -0.000398 0.000006 0.000023 24H 2s -0.000009 0.000014 0.000002 -0.001785 0.000418 -0.000292 24H 3s 0.000068 -0.000007 -0.000042 -0.003950 0.001991 -0.000278 24H 1pz -0.000004 -0.000005 -0.000004 0.000851 0.000107 0.000035 24H 1px 0.000002 -0.000003 -0.000004 0.000975 -0.000002 0.000024 24H 1py -0.000004 0.000001 0.000001 -0.000645 0.000041 -0.000015 25H 1s 0.000002 0.000003 0.000001 -0.000346 -0.000051 0.000007 25H 2s -0.000002 -0.000029 -0.000009 -0.001039 -0.000211 -0.000119 25H 3s 0.000023 0.000048 -0.000002 -0.003602 0.001926 -0.000651 25H 1pz -0.000003 0.000003 -0.000004 0.000672 0.000148 0.000026 25H 1px 0.000002 -0.000001 0.000002 -0.001123 -0.000077 -0.000021 25H 1py -0.000001 0.000001 -0.000002 0.000179 0.000092 0.000019 26O 1s 0.000000 0.000000 0.000003 0.000000 -0.000149 0.000159 26O 2s -0.000001 -0.000003 -0.000044 -0.000004 -0.000230 0.000303 26O 3s 0.000014 0.000028 0.000521 0.000035 -0.000948 0.000145 26O 4s -0.000042 -0.000087 -0.002145 -0.000132 0.003911 -0.001636 26O 5s 0.000510 0.000693 0.001330 0.000411 0.000419 0.006550 26O 1pz 0.000003 0.000001 -0.000061 0.000000 0.000142 -0.000221 26O 1px 0.000003 0.000002 -0.000041 0.000006 0.000091 0.000044 26O 1py -0.000001 0.000007 -0.000064 0.000004 0.000122 -0.000119 26O 2pz -0.000021 -0.000025 0.000480 -0.000006 0.001102 -0.000863 26O 2px -0.000017 -0.000033 0.000526 -0.000023 -0.000986 -0.000877 26O 2py -0.000014 -0.000043 0.000534 -0.000017 0.000313 -0.000870 26O 3pz -0.000097 0.000076 0.000123 0.000172 -0.000552 0.003804 26O 3px -0.000285 -0.000232 -0.000004 0.000042 -0.002256 -0.000450 26O 3py -0.000046 -0.000089 -0.000128 0.000137 -0.000977 0.002135 26O 1dz2 0.000002 -0.000002 -0.000010 -0.000002 -0.000067 0.000052 26O 1dxz 0.000003 -0.000001 0.000034 0.000002 -0.000011 0.000019 26O 1dyz 0.000001 0.000002 -0.000004 -0.000002 -0.000107 0.000092 26O 1dx2y2 0.000001 -0.000002 -0.000008 -0.000001 0.000034 -0.000028 26O 1dxy 0.000003 -0.000001 0.000008 -0.000000 -0.000009 0.000018 26O 2dz2 -0.000011 0.000005 0.000032 0.000009 0.000374 -0.000535 26O 2dxz -0.000004 0.000012 -0.000235 -0.000003 0.000101 -0.000277 26O 2dyz -0.000004 -0.000004 -0.000061 0.000011 0.000919 -0.000853 26O 2dx2y2 -0.000003 0.000009 0.000048 -0.000001 0.000032 0.000338 26O 2dxy -0.000010 0.000010 -0.000101 -0.000000 0.000340 -0.000149 26O 1f0 0.000001 0.000004 0.000001 0.000001 0.000018 -0.000038 26O 1f+1 -0.000001 -0.000002 0.000022 -0.000001 0.000104 -0.000049 26O 1f-1 -0.000000 -0.000000 -0.000012 0.000001 0.000243 -0.000262 26O 1f+2 -0.000001 -0.000001 0.000000 -0.000000 -0.000124 0.000140 26O 1f-2 -0.000003 -0.000001 0.000001 -0.000000 0.000098 -0.000079 26O 1f+3 -0.000001 -0.000001 -0.000002 -0.000001 0.000071 -0.000033 26O 1f-3 -0.000001 -0.000001 0.000019 -0.000001 0.000065 -0.000022 27O 1s -0.000003 -0.000000 -0.000000 -0.000000 -0.000145 0.000155 27O 2s 0.000043 0.000004 0.000001 0.000003 -0.000225 0.000295 27O 3s -0.000515 -0.000040 -0.000018 -0.000022 -0.000927 0.000121 27O 4s 0.002122 0.000147 0.000062 0.000060 0.003816 -0.001492 27O 5s -0.001042 -0.000310 -0.000363 -0.000799 0.001337 0.006680 27O 1pz 0.000044 -0.000001 -0.000005 -0.000002 0.000085 -0.000142 27O 1px 0.000065 -0.000005 0.000002 -0.000008 0.000132 0.000013 27O 1py -0.000059 0.000001 -0.000004 0.000006 -0.000148 0.000198 27O 2pz -0.000279 0.000007 0.000025 0.000021 0.000768 -0.000430 27O 2px -0.000700 0.000006 -0.000026 0.000093 -0.001036 -0.001105 27O 2py 0.000513 -0.000002 0.000006 -0.000051 -0.000850 0.000930 27O 3pz 0.000107 -0.000102 0.000061 -0.000184 0.000515 0.002374 27O 3px 0.000002 -0.000122 0.000137 0.000321 -0.001964 -0.000136 27O 3py 0.000290 0.000155 -0.000039 0.000012 0.000280 -0.003446 27O 1dz2 0.000000 -0.000000 0.000000 0.000003 0.000013 -0.000017 27O 1dxz -0.000015 -0.000001 -0.000002 -0.000002 -0.000031 0.000033 27O 1dyz -0.000020 -0.000002 0.000003 -0.000002 0.000098 -0.000084 27O 1dx2y2 -0.000001 -0.000001 -0.000002 0.000002 0.000066 -0.000054 27O 1dxy 0.000031 0.000001 0.000001 -0.000000 0.000051 -0.000052 27O 2dz2 -0.000045 -0.000003 -0.000005 0.000001 -0.000335 0.000093 27O 2dxz 0.000117 -0.000000 0.000001 0.000009 0.000135 -0.000351 27O 2dyz 0.000044 0.000009 -0.000016 0.000005 -0.000838 0.000734 27O 2dx2y2 0.000006 0.000013 0.000019 -0.000025 -0.000169 0.000576 27O 2dxy -0.000249 -0.000005 -0.000002 0.000013 -0.000502 0.000498 27O 1f0 -0.000015 -0.000000 -0.000001 -0.000001 -0.000146 0.000145 27O 1f+1 -0.000013 0.000001 0.000001 -0.000000 0.000047 -0.000007 27O 1f-1 -0.000007 -0.000000 -0.000002 0.000002 -0.000038 0.000048 27O 1f+2 -0.000010 0.000001 0.000001 0.000001 -0.000129 0.000183 27O 1f-2 0.000004 -0.000001 -0.000001 0.000000 -0.000153 0.000140 27O 1f+3 -0.000018 0.000001 0.000005 -0.000000 0.000182 -0.000124 27O 1f-3 0.000005 0.000000 0.000001 0.000003 -0.000062 0.000065 28O 1s 0.000000 0.000000 0.000003 0.000000 -0.000156 -0.000142 28O 2s -0.000003 -0.000002 -0.000038 -0.000006 -0.000248 -0.000277 28O 3s 0.000017 0.000024 0.000492 0.000070 -0.000916 -0.000004 28O 4s -0.000035 -0.000078 -0.002015 -0.000235 0.003813 0.000986 28O 5s 0.000808 0.000390 -0.000569 0.000186 0.001643 -0.006592 28O 1pz 0.000008 -0.000004 -0.000075 0.000004 0.000196 0.000142 28O 1px -0.000005 -0.000000 0.000059 -0.000001 -0.000041 0.000124 28O 1py 0.000003 0.000004 -0.000033 0.000003 0.000104 0.000132 28O 2pz -0.000086 0.000016 0.000783 0.000018 0.000282 0.001273 28O 2px 0.000065 -0.000020 -0.000581 -0.000040 0.001430 -0.000660 28O 2py -0.000036 -0.000019 0.000290 -0.000008 0.000741 0.000554 28O 3pz -0.000205 -0.000045 0.001266 0.000224 -0.001547 -0.002575 28O 3px 0.000305 0.000102 0.000180 -0.000149 0.001623 -0.001961 28O 3py 0.000109 -0.000065 0.000641 0.000098 -0.000560 -0.002437 28O 1dz2 0.000002 -0.000002 0.000030 0.000003 -0.000073 -0.000053 28O 1dxz 0.000002 -0.000003 -0.000024 -0.000003 -0.000034 -0.000022 28O 1dyz 0.000001 0.000003 -0.000004 0.000004 -0.000115 -0.000089 28O 1dx2y2 0.000001 -0.000000 -0.000020 0.000001 0.000035 0.000024 28O 1dxy -0.000003 -0.000000 -0.000030 -0.000000 -0.000025 -0.000017 28O 2dz2 -0.000002 0.000010 -0.000241 -0.000014 0.000562 0.000523 28O 2dxz -0.000030 0.000018 0.000214 0.000034 -0.000080 0.000287 28O 2dyz -0.000001 -0.000014 -0.000080 -0.000019 0.000984 0.000778 28O 2dx2y2 0.000007 -0.000009 0.000085 -0.000016 0.000012 -0.000345 28O 2dxy 0.000005 -0.000002 0.000174 0.000004 0.000227 0.000109 28O 1f0 -0.000001 -0.000002 0.000019 -0.000002 0.000075 0.000018 28O 1f+1 0.000003 0.000002 -0.000006 -0.000002 0.000069 0.000056 28O 1f-1 -0.000001 -0.000001 0.000006 -0.000002 0.000252 0.000229 28O 1f+2 -0.000001 0.000005 -0.000010 0.000004 -0.000192 -0.000114 28O 1f-2 0.000001 0.000001 -0.000014 -0.000000 0.000074 0.000092 28O 1f+3 0.000002 0.000002 -0.000009 0.000001 -0.000002 0.000044 28O 1f-3 0.000001 -0.000000 0.000012 -0.000001 0.000030 0.000017 29O 1s -0.000000 -0.000000 -0.000000 0.000000 -0.000039 0.000043 29O 2s 0.000002 0.000000 0.000000 -0.000001 -0.000046 0.000128 29O 3s -0.000020 -0.000004 0.000000 0.000013 -0.000311 -0.000582 29O 4s 0.000099 0.000035 -0.000026 -0.000066 0.002175 0.001248 29O 5s -0.000363 -0.000140 0.000102 0.000205 -0.006470 -0.001605 29O 1pz -0.000002 0.000003 0.000008 -0.000001 0.000014 -0.000051 29O 1px -0.000001 0.000002 0.000002 -0.000000 -0.000053 0.000148 29O 1py 0.000002 -0.000004 0.000003 0.000002 -0.000050 0.000037 29O 2pz 0.000020 -0.000011 -0.000038 0.000006 0.000163 0.000063 29O 2px -0.000007 -0.000014 -0.000006 0.000007 -0.000432 -0.000158 29O 2py -0.000006 0.000023 -0.000010 -0.000008 0.000232 -0.000154 29O 3pz -0.000022 -0.000011 0.000185 0.000003 -0.000743 -0.000409 29O 3px 0.000067 0.000111 -0.000052 -0.000093 0.002442 0.000897 29O 3py 0.000150 -0.000043 0.000023 -0.000013 0.001338 -0.000578 29O 1dz2 0.000000 0.000001 0.000001 0.000001 0.000017 -0.000024 29O 1dxz -0.000000 -0.000002 0.000003 0.000000 0.000006 -0.000025 29O 1dyz 0.000000 0.000001 0.000003 -0.000000 0.000000 -0.000005 29O 1dx2y2 0.000001 0.000002 -0.000002 -0.000002 0.000012 0.000024 29O 1dxy 0.000002 -0.000001 0.000001 0.000000 -0.000014 0.000021 29O 2dz2 -0.000006 -0.000002 -0.000003 -0.000003 -0.000123 0.000137 29O 2dxz 0.000001 0.000005 -0.000010 -0.000001 -0.000059 0.000128 29O 2dyz -0.000006 -0.000002 -0.000012 -0.000000 -0.000005 0.000023 29O 2dx2y2 -0.000003 -0.000008 0.000007 0.000007 -0.000064 -0.000089 29O 2dxy -0.000004 0.000003 -0.000002 -0.000003 0.000125 -0.000137 29O 1f0 0.000001 0.000000 0.000001 -0.000001 0.000006 0.000003 29O 1f+1 0.000000 0.000000 0.000000 0.000000 0.000008 -0.000011 29O 1f-1 0.000002 0.000001 -0.000000 -0.000001 0.000047 -0.000033 29O 1f+2 -0.000002 -0.000000 -0.000000 -0.000000 0.000018 -0.000025 29O 1f-2 0.000001 0.000001 -0.000001 -0.000000 0.000039 -0.000031 29O 1f+3 -0.000002 0.000000 -0.000001 0.000001 0.000011 -0.000023 29O 1f-3 -0.000001 0.000000 0.000000 -0.000000 0.000011 -0.000014 30O 1s -0.000003 -0.000000 -0.000000 -0.000000 -0.000159 -0.000145 30O 2s 0.000038 0.000006 0.000003 0.000002 -0.000252 -0.000281 30O 3s -0.000491 -0.000069 -0.000025 -0.000022 -0.000935 -0.000040 30O 4s 0.002014 0.000235 0.000071 0.000073 0.003897 0.001178 30O 5s 0.000280 -0.000262 -0.000719 -0.000500 0.000339 -0.006601 30O 1pz 0.000064 -0.000004 -0.000007 0.000002 0.000124 0.000082 30O 1px -0.000039 0.000001 0.000002 0.000000 0.000001 0.000158 30O 1py -0.000063 0.000004 0.000003 0.000002 -0.000173 -0.000160 30O 2pz -0.000587 -0.000005 0.000049 -0.000001 0.000185 0.000893 30O 2px 0.000416 0.000032 -0.000027 0.000008 0.001438 -0.000426 30O 2py 0.000663 0.000008 -0.000052 -0.000012 -0.000657 -0.001148 30O 3pz -0.000451 -0.000191 0.000130 0.000070 -0.001762 -0.001567 30O 3px -0.000296 0.000081 -0.000245 -0.000157 0.001173 -0.002421 30O 3py 0.001177 0.000209 -0.000008 -0.000209 0.001932 0.002866 30O 1dz2 -0.000015 0.000001 -0.000002 0.000002 0.000029 0.000020 30O 1dxz 0.000003 0.000001 -0.000002 0.000002 -0.000043 -0.000028 30O 1dyz 0.000006 0.000004 0.000001 0.000003 0.000095 0.000075 30O 1dx2y2 0.000037 0.000002 -0.000001 0.000003 0.000065 0.000047 30O 1dxy -0.000033 -0.000002 -0.000001 -0.000000 0.000070 0.000047 30O 2dz2 0.000062 -0.000006 0.000008 -0.000009 -0.000311 -0.000089 30O 2dxz -0.000050 -0.000018 0.000015 -0.000008 0.000090 0.000329 30O 2dyz -0.000167 -0.000027 0.000004 -0.000012 -0.000976 -0.000661 30O 2dx2y2 -0.000247 -0.000003 0.000009 -0.000008 -0.000367 -0.000554 30O 2dxy 0.000205 0.000019 -0.000006 -0.000002 -0.000352 -0.000460 30O 1f0 -0.000006 0.000001 0.000000 0.000001 -0.000112 -0.000141 30O 1f+1 -0.000012 0.000001 -0.000000 -0.000000 0.000008 0.000002 30O 1f-1 0.000001 -0.000001 -0.000002 -0.000000 -0.000050 -0.000036 30O 1f+2 0.000013 -0.000002 -0.000002 -0.000003 -0.000210 -0.000152 30O 1f-2 -0.000004 -0.000003 -0.000000 0.000000 -0.000176 -0.000137 30O 1f+3 0.000008 0.000001 -0.000004 -0.000000 0.000122 0.000133 30O 1f-3 0.000022 -0.000003 -0.000001 -0.000002 -0.000113 -0.000039 31O 1s -0.000000 -0.000003 -0.000000 -0.000000 -0.000147 0.000157 31O 2s 0.000006 0.000038 0.000002 0.000003 -0.000229 0.000301 31O 3s -0.000066 -0.000492 -0.000022 -0.000025 -0.000931 0.000117 31O 4s 0.000220 0.002014 0.000074 0.000069 0.003798 -0.001495 31O 5s -0.000263 0.000297 -0.000512 -0.000729 0.000879 0.006544 31O 1pz 0.000004 -0.000064 -0.000002 0.000007 -0.000118 0.000092 31O 1px -0.000001 0.000039 -0.000000 -0.000002 0.000012 0.000158 31O 1py -0.000004 0.000063 -0.000002 -0.000004 0.000160 -0.000174 31O 2pz 0.000001 0.000587 -0.000001 -0.000051 -0.000112 0.000904 31O 2px -0.000029 -0.000419 -0.000007 0.000029 -0.001471 -0.000307 31O 2py -0.000003 -0.000664 0.000013 0.000055 0.000561 -0.001197 31O 3pz 0.000189 0.000463 -0.000071 -0.000134 0.001646 -0.001714 31O 3px -0.000083 0.000300 0.000164 0.000252 -0.001369 -0.002317 31O 3py -0.000202 -0.001188 0.000211 0.000009 -0.001708 0.003028 31O 1dz2 0.000001 -0.000015 0.000002 -0.000002 0.000028 -0.000022 31O 1dxz 0.000001 0.000003 0.000002 -0.000002 -0.000041 0.000032 31O 1dyz 0.000004 0.000007 0.000003 0.000001 0.000088 -0.000082 31O 1dx2y2 0.000002 0.000037 0.000003 -0.000001 0.000061 -0.000052 31O 1dxy -0.000001 -0.000033 -0.000000 -0.000001 0.000066 -0.000052 31O 2dz2 -0.000006 0.000063 -0.000008 0.000008 -0.000304 0.000115 31O 2dxz -0.000017 -0.000051 -0.000007 0.000016 0.000061 -0.000334 31O 2dyz -0.000026 -0.000168 -0.000011 0.000005 -0.000920 0.000737 31O 2dx2y2 -0.000002 -0.000247 -0.000009 0.000009 -0.000320 0.000582 31O 2dxy 0.000018 0.000205 -0.000002 -0.000007 -0.000313 0.000485 31O 1f0 -0.000001 0.000006 -0.000001 -0.000000 0.000100 -0.000150 31O 1f+1 -0.000001 0.000012 0.000000 0.000000 -0.000008 0.000003 31O 1f-1 0.000001 -0.000001 0.000000 0.000001 0.000046 -0.000040 31O 1f+2 0.000002 -0.000014 0.000003 0.000002 0.000197 -0.000168 31O 1f-2 0.000003 0.000004 -0.000000 0.000000 0.000165 -0.000151 31O 1f+3 -0.000001 -0.000008 0.000000 0.000004 -0.000110 0.000143 31O 1f-3 0.000003 -0.000022 0.000002 0.000001 0.000110 -0.000048 32O 1s -0.000000 -0.000000 0.000000 -0.000000 -0.000042 -0.000040 32O 2s 0.000000 0.000002 -0.000001 0.000000 -0.000057 -0.000124 32O 3s -0.000004 -0.000020 0.000013 0.000000 -0.000263 0.000605 32O 4s 0.000034 0.000100 -0.000065 -0.000026 0.002062 -0.001423 32O 5s -0.000139 -0.000363 0.000203 0.000099 -0.006300 0.002132 32O 1pz -0.000003 0.000002 0.000001 -0.000008 -0.000019 -0.000050 32O 1px -0.000002 0.000001 0.000000 -0.000002 0.000064 0.000143 32O 1py 0.000004 -0.000003 -0.000002 -0.000003 0.000053 0.000033 32O 2pz 0.000012 -0.000019 -0.000007 0.000039 -0.000151 0.000078 32O 2px 0.000014 0.000007 -0.000008 0.000006 0.000419 -0.000193 32O 2py -0.000023 0.000006 0.000008 0.000010 -0.000241 -0.000135 32O 3pz 0.000012 0.000022 -0.000001 -0.000185 0.000720 -0.000457 32O 3px -0.000111 -0.000066 0.000095 0.000053 -0.002350 0.001098 32O 3py 0.000043 -0.000150 0.000011 -0.000027 -0.001377 -0.000467 32O 1dz2 0.000001 0.000000 0.000001 0.000001 0.000019 0.000023 32O 1dxz -0.000002 -0.000000 0.000000 0.000003 0.000009 0.000025 32O 1dyz 0.000001 0.000000 -0.000000 0.000003 0.000002 0.000005 32O 1dx2y2 0.000002 0.000001 -0.000002 -0.000002 0.000010 -0.000025 32O 1dxy -0.000001 0.000002 0.000000 0.000001 -0.000015 -0.000020 32O 2dz2 -0.000003 -0.000005 -0.000004 -0.000003 -0.000134 -0.000127 32O 2dxz 0.000005 0.000001 -0.000001 -0.000010 -0.000072 -0.000124 32O 2dyz -0.000001 -0.000006 -0.000000 -0.000011 -0.000015 -0.000027 32O 2dx2y2 -0.000008 -0.000003 0.000007 0.000008 -0.000057 0.000093 32O 2dxy 0.000003 -0.000004 -0.000003 -0.000002 0.000133 0.000125 32O 1f0 -0.000000 -0.000001 0.000001 -0.000001 -0.000003 0.000005 32O 1f+1 -0.000000 -0.000000 -0.000000 -0.000000 -0.000007 -0.000009 32O 1f-1 -0.000001 -0.000002 0.000001 0.000000 -0.000051 -0.000030 32O 1f+2 0.000000 0.000002 0.000000 0.000000 -0.000018 -0.000022 32O 1f-2 -0.000001 -0.000001 0.000000 0.000001 -0.000041 -0.000028 32O 1f+3 -0.000000 0.000001 -0.000001 0.000001 -0.000014 -0.000023 32O 1f-3 -0.000000 0.000001 0.000000 -0.000000 -0.000012 -0.000013 33O 1s 0.000000 0.000000 0.000000 0.000003 -0.000144 0.000154 33O 2s -0.000002 -0.000003 -0.000006 -0.000038 -0.000225 0.000296 33O 3s 0.000024 0.000017 0.000069 0.000492 -0.000913 0.000078 33O 4s -0.000079 -0.000036 -0.000229 -0.002016 0.003719 -0.001296 33O 5s 0.000387 0.000818 0.000189 -0.000590 0.002200 0.006461 33O 1pz 0.000004 -0.000008 -0.000004 0.000076 -0.000184 0.000158 33O 1px 0.000000 0.000005 0.000001 -0.000060 0.000051 0.000120 33O 1py -0.000004 -0.000003 -0.000003 0.000032 -0.000093 0.000140 33O 2pz -0.000016 0.000087 -0.000016 -0.000784 -0.000177 0.001293 33O 2px 0.000020 -0.000065 0.000038 0.000584 -0.001481 -0.000544 33O 2py 0.000019 0.000036 0.000009 -0.000289 -0.000692 0.000613 33O 3pz 0.000042 0.000204 -0.000219 -0.001274 0.001343 -0.002705 33O 3px -0.000101 -0.000308 0.000148 -0.000176 -0.001785 -0.001827 33O 3py 0.000065 -0.000110 -0.000098 -0.000663 0.000367 -0.002487 33O 1dz2 -0.000002 0.000002 0.000003 0.000030 -0.000068 0.000059 33O 1dxz -0.000003 0.000002 -0.000003 -0.000024 -0.000032 0.000024 33O 1dyz 0.000003 0.000001 0.000004 -0.000004 -0.000108 0.000098 33O 1dx2y2 -0.000000 0.000001 0.000001 -0.000020 0.000033 -0.000027 33O 1dxy -0.000000 -0.000003 -0.000000 -0.000031 -0.000023 0.000019 33O 2dz2 0.000010 -0.000002 -0.000013 -0.000240 0.000517 -0.000566 33O 2dxz 0.000018 -0.000030 0.000033 0.000215 -0.000105 -0.000279 33O 2dyz -0.000014 -0.000001 -0.000019 -0.000082 0.000918 -0.000853 33O 2dx2y2 -0.000009 0.000007 -0.000016 0.000085 0.000041 0.000343 33O 2dxy -0.000002 0.000005 0.000003 0.000177 0.000215 -0.000127 33O 1f0 0.000002 0.000001 0.000002 -0.000019 -0.000073 0.000024 33O 1f+1 -0.000002 -0.000003 0.000002 0.000006 -0.000064 0.000061 33O 1f-1 0.000001 0.000001 0.000002 -0.000006 -0.000232 0.000249 33O 1f+2 -0.000005 0.000001 -0.000004 0.000010 0.000182 -0.000129 33O 1f-2 -0.000001 -0.000001 0.000000 0.000015 -0.000066 0.000097 33O 1f+3 -0.000002 -0.000002 -0.000001 0.000009 0.000006 0.000043 33O 1f-3 0.000000 -0.000001 0.000001 -0.000012 -0.000029 0.000019 34O 1s -0.000000 -0.000003 -0.000000 -0.000000 -0.000157 -0.000142 34O 2s 0.000003 0.000043 0.000003 0.000001 -0.000248 -0.000276 34O 3s -0.000037 -0.000516 -0.000022 -0.000018 -0.000936 -0.000047 34O 4s 0.000133 0.002127 0.000060 0.000062 0.003933 0.001175 34O 5s -0.000299 -0.001063 -0.000803 -0.000368 0.000774 -0.006756 34O 1pz 0.000001 -0.000044 0.000002 0.000005 -0.000096 -0.000134 34O 1px 0.000006 -0.000064 0.000008 -0.000001 -0.000130 0.000023 34O 1py -0.000001 0.000059 -0.000006 0.000004 0.000164 0.000185 34O 2pz -0.000009 0.000279 -0.000022 -0.000025 -0.000801 -0.000368 34O 2px -0.000010 0.000698 -0.000094 0.000025 0.000943 -0.001186 34O 2py 0.000005 -0.000515 0.000051 -0.000006 0.000921 0.000861 34O 3pz 0.000102 -0.000109 0.000186 -0.000062 -0.000321 0.002407 34O 3px 0.000124 -0.000005 -0.000326 -0.000141 0.001945 -0.000297 34O 3py -0.000152 -0.000278 -0.000009 0.000041 -0.000550 -0.003413 34O 1dz2 -0.000000 0.000000 0.000003 0.000000 0.000014 0.000016 34O 1dxz -0.000001 -0.000015 -0.000002 -0.000002 -0.000033 -0.000030 34O 1dyz -0.000002 -0.000019 -0.000002 0.000003 0.000105 0.000076 34O 1dx2y2 -0.000001 -0.000001 0.000002 -0.000002 0.000071 0.000049 34O 1dxy 0.000001 0.000030 0.000000 0.000001 0.000056 0.000048 34O 2dz2 -0.000003 -0.000045 0.000001 -0.000005 -0.000342 -0.000066 34O 2dxz -0.000001 0.000117 0.000009 0.000001 0.000163 0.000340 34O 2dyz 0.000008 0.000043 0.000005 -0.000016 -0.000895 -0.000666 34O 2dx2y2 0.000013 0.000006 -0.000025 0.000019 -0.000215 -0.000562 34O 2dxy -0.000004 -0.000248 0.000013 -0.000002 -0.000542 -0.000457 34O 1f0 0.000000 0.000015 0.000001 0.000001 0.000157 0.000133 34O 1f+1 -0.000001 0.000013 0.000000 -0.000001 -0.000048 -0.000003 34O 1f-1 0.000000 0.000007 -0.000002 0.000002 0.000041 0.000045 34O 1f+2 -0.000001 0.000011 -0.000001 -0.000001 0.000143 0.000172 34O 1f-2 0.000001 -0.000004 -0.000000 0.000001 0.000164 0.000128 34O 1f+3 -0.000002 0.000018 0.000000 -0.000005 -0.000191 -0.000109 34O 1f-3 -0.000000 -0.000005 -0.000003 -0.000001 0.000068 0.000060 35O 1s 0.000000 0.000000 0.000000 0.000003 -0.000161 -0.000147 35O 2s -0.000003 -0.000001 -0.000003 -0.000044 -0.000254 -0.000284 35O 3s 0.000029 0.000015 0.000035 0.000522 -0.000959 -0.000068 35O 4s -0.000088 -0.000043 -0.000129 -0.002150 0.004035 0.001312 35O 5s 0.000683 0.000516 0.000404 0.001351 -0.000072 -0.006526 35O 1pz -0.000000 -0.000003 -0.000001 0.000061 -0.000159 -0.000209 35O 1px -0.000002 -0.000003 -0.000006 0.000041 -0.000087 0.000051 35O 1py -0.000007 0.000001 -0.000004 0.000063 -0.000132 -0.000109 35O 2pz 0.000023 0.000022 0.000007 -0.000483 -0.001168 -0.000773 35O 2px 0.000030 0.000017 0.000023 -0.000524 0.000917 -0.000952 35O 2py 0.000042 0.000014 0.000018 -0.000534 -0.000379 -0.000842 35O 3pz -0.000076 0.000096 -0.000170 -0.000104 0.000847 0.003745 35O 3px 0.000227 0.000286 -0.000045 0.000012 0.002225 -0.000624 35O 3py 0.000088 0.000047 -0.000139 0.000127 0.001146 0.002050 35O 1dz2 -0.000002 0.000002 -0.000002 -0.000009 -0.000071 -0.000047 35O 1dxz -0.000001 0.000003 0.000002 0.000034 -0.000013 -0.000018 35O 1dyz 0.000002 0.000001 -0.000002 -0.000004 -0.000115 -0.000084 35O 1dx2y2 -0.000002 0.000001 -0.000001 -0.000009 0.000036 0.000025 35O 1dxy -0.000001 0.000003 0.000000 0.000008 -0.000011 -0.000017 35O 2dz2 0.000005 -0.000011 0.000009 0.000032 0.000414 0.000502 35O 2dxz 0.000011 -0.000004 -0.000003 -0.000233 0.000124 0.000269 35O 2dyz -0.000004 -0.000004 0.000011 -0.000061 0.000987 0.000778 35O 2dx2y2 0.000009 -0.000003 -0.000001 0.000049 0.000005 -0.000340 35O 2dxy 0.000009 -0.000010 -0.000001 -0.000102 0.000354 0.000122 35O 1f0 -0.000004 -0.000001 -0.000001 -0.000001 -0.000020 -0.000036 35O 1f+1 0.000002 0.000001 0.000001 -0.000022 -0.000108 -0.000040 35O 1f-1 0.000000 0.000000 -0.000001 0.000012 -0.000263 -0.000242 35O 1f+2 0.000001 0.000001 0.000000 0.000000 0.000135 0.000130 35O 1f-2 0.000001 0.000003 0.000000 -0.000001 -0.000104 -0.000071 35O 1f+3 0.000001 0.000001 0.000001 0.000001 -0.000074 -0.000027 35O 1f-3 0.000001 0.000001 0.000001 -0.000019 -0.000067 -0.000017 48 49 50 51 52 53 -1.87157 -1.87137 -1.86993 -1.86919 -1.86879 -1.84827 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s 0.000006 -0.000011 0.000387 0.000067 0.000208 -0.000288 0Rh 2s -0.000031 0.000045 -0.001475 -0.000264 -0.000796 0.001148 0Rh 3s 0.000013 -0.000037 0.001292 0.000219 0.000690 -0.000936 0Rh 4s 0.000124 -0.000178 0.005582 0.001001 0.003017 -0.004647 0Rh 5s -0.000108 0.000113 -0.003207 -0.000593 -0.001728 0.004054 0Rh 6s -0.000106 0.000276 -0.007590 -0.001330 -0.004172 0.003794 0Rh 7s 0.000108 -0.000018 0.000767 0.000341 0.000594 -0.001829 0Rh 8s 0.000476 -0.001721 0.003454 0.000559 0.002618 0.006353 0Rh 1pz -0.116924 -0.000344 0.073072 -0.111037 -0.017106 0.038120 0Rh 1px -0.035884 -0.022495 -0.100460 -0.063355 -0.045831 -0.122782 0Rh 1py -0.006148 0.120260 0.036003 0.040242 -0.122726 -0.024657 0Rh 2pz 0.383746 0.001129 -0.239817 0.364441 0.056150 -0.125155 0Rh 2px 0.117771 0.073826 0.329678 0.207930 0.150403 0.403108 0Rh 2py 0.020179 -0.394693 -0.118168 -0.132079 0.402802 0.080955 0Rh 3pz -0.272329 -0.000824 0.170252 -0.258603 -0.039776 0.089024 0Rh 3px -0.083568 -0.052343 -0.234177 -0.147573 -0.106904 -0.286698 0Rh 3py -0.014313 0.280087 0.083760 0.093710 -0.285860 -0.057602 0Rh 4pz -0.352192 -0.000959 0.219490 -0.334975 -0.052118 0.114818 0Rh 4px -0.108056 -0.067914 -0.300191 -0.190575 -0.136622 -0.369762 0Rh 4py -0.018534 0.362237 0.109158 0.121446 -0.369817 -0.074195 0Rh 5pz -0.157868 -0.000559 0.099683 -0.149572 -0.022387 0.051440 0Rh 5px -0.048542 -0.030204 -0.139199 -0.086157 -0.063894 -0.165916 0Rh 5py -0.008293 0.162429 0.047876 0.054169 -0.165889 -0.033344 0Rh 6pz -0.010255 0.000276 0.004004 -0.005809 -0.000875 0.002769 0Rh 6px -0.003030 -0.002723 -0.006736 -0.003544 -0.002954 -0.009308 0Rh 6py -0.000338 0.010097 0.000361 0.001872 -0.006674 -0.001887 0Rh 1dz2 0.000141 0.000001 0.000374 0.000058 0.000182 -0.000295 0Rh 1dxz -0.000223 0.000007 0.000531 0.000101 0.000279 -0.000361 0Rh 1dyz -0.000049 -0.000077 0.000097 0.000014 0.000034 -0.000072 0Rh 1dx2y2 -0.000072 -0.000075 -0.000773 -0.000114 -0.000406 0.000573 0Rh 1dxy -0.000030 0.000258 -0.000272 -0.000048 -0.000131 0.000232 0Rh 2dz2 -0.000008 -0.000002 -0.000028 -0.000031 -0.000023 -0.000039 0Rh 2dxz -0.000001 0.000002 -0.000014 0.000022 0.000004 -0.000006 0Rh 2dyz 0.000007 0.000009 -0.000002 0.000015 -0.000018 -0.000007 0Rh 2dx2y2 0.000017 0.000009 0.000040 0.000040 0.000009 0.000045 0Rh 2dxy 0.000004 -0.000019 0.000002 -0.000008 0.000055 0.000022 0Rh 3dz2 -0.000246 0.000003 -0.000287 -0.000092 -0.000163 0.000435 0Rh 3dxz 0.000440 -0.000022 -0.000626 0.000015 -0.000256 0.000397 0Rh 3dyz 0.000059 0.000136 -0.000076 -0.000001 -0.000049 0.000095 0Rh 3dx2y2 0.000094 0.000122 0.000744 0.000104 0.000380 -0.000745 0Rh 3dxy 0.000040 -0.000430 0.000195 0.000011 0.000177 -0.000312 0Rh 4dz2 -0.000013 -0.000027 -0.000861 0.000002 -0.000322 0.000718 0Rh 4dxz -0.000078 0.000009 -0.000877 -0.000501 -0.000616 0.001035 0Rh 4dyz 0.000061 -0.000050 -0.000237 -0.000096 0.000038 0.000201 0Rh 4dx2y2 0.000013 -0.000008 0.001550 0.000140 0.000839 -0.001494 0Rh 4dxy 0.000020 -0.000044 0.000678 0.000182 0.000030 -0.000620 0Rh 5dz2 -0.000560 0.000055 -0.001356 0.000050 -0.000663 -0.000267 0Rh 5dxz 0.001037 -0.000045 -0.001649 -0.000544 -0.001039 -0.000316 0Rh 5dyz 0.000205 0.000418 -0.000395 -0.000071 -0.000094 -0.000102 0Rh 5dx2y2 0.000324 0.000447 0.002534 0.000286 0.001446 0.000407 0Rh 5dxy 0.000132 -0.001101 0.001131 0.000292 0.000203 0.000259 0Rh 1f0 -0.000415 -0.000432 0.000317 -0.000688 0.000435 0.000991 0Rh 1f+1 -0.000373 -0.000052 -0.000117 -0.000760 -0.000325 -0.000870 0Rh 1f-1 0.000458 -0.000382 -0.000409 0.000264 0.000388 -0.000199 0Rh 1f+2 -0.000219 -0.000330 -0.000510 -0.000259 0.000168 -0.001177 0Rh 1f-2 0.000123 -0.000144 -0.000271 0.000180 -0.000071 -0.000527 0Rh 1f+3 0.000089 -0.000113 -0.000615 -0.000208 -0.000006 -0.001491 0Rh 1f-3 -0.000141 0.000309 -0.000052 -0.000014 -0.000868 -0.001019 1Rh 1s 0.000000 -0.000001 0.000382 0.000066 0.000204 0.000297 1Rh 2s 0.000008 0.000002 -0.001456 -0.000258 -0.000782 -0.001184 1Rh 3s 0.000008 -0.000005 0.001274 0.000215 0.000678 0.000968 1Rh 4s -0.000037 -0.000001 0.005510 0.000977 0.002960 0.004781 1Rh 5s 0.000056 -0.000009 -0.003150 -0.000571 -0.001682 -0.004129 1Rh 6s -0.000010 -0.000037 -0.007525 -0.001315 -0.004117 -0.003975 1Rh 7s -0.000120 -0.000008 0.000756 0.000324 0.000581 0.001804 1Rh 8s -0.000393 0.001660 0.003667 0.000559 0.002543 -0.006245 1Rh 1pz -0.128647 0.001619 -0.068588 0.101190 0.013822 0.037392 1Rh 1px -0.037644 -0.027728 0.102564 0.060030 0.047894 -0.120296 1Rh 1py -0.007181 0.131433 -0.027440 -0.036544 0.114404 -0.024138 1Rh 2pz 0.422222 -0.005311 0.225102 -0.332122 -0.045372 -0.122763 1Rh 2px 0.123546 0.091000 -0.336585 -0.197017 -0.157174 0.394946 1Rh 2py 0.023569 -0.431364 0.090065 0.119944 -0.375486 0.079251 1Rh 3pz -0.299619 0.003746 -0.159801 0.235656 0.032128 0.087316 1Rh 3px -0.087658 -0.064530 0.239062 0.139824 0.111697 -0.280872 1Rh 3py -0.016716 0.306091 -0.063815 -0.085094 0.266465 -0.056386 1Rh 4pz -0.387562 0.004935 -0.206002 0.305337 0.042220 0.112654 1Rh 4px -0.113411 -0.083620 0.306566 0.180574 0.142866 -0.362370 1Rh 4py -0.021661 0.395984 -0.083367 -0.110318 0.344774 -0.072651 1Rh 5pz -0.173676 0.002121 -0.093629 0.136256 0.017954 0.050434 1Rh 5px -0.050857 -0.037375 0.142054 0.081659 0.066673 -0.162485 1Rh 5py -0.009674 0.177455 -0.036305 -0.049167 0.154634 -0.032628 1Rh 6pz -0.010856 0.000376 -0.003565 0.004977 0.000588 0.002701 1Rh 6px -0.003093 -0.003055 0.006804 0.003240 0.003151 -0.009116 1Rh 6py -0.000365 0.010578 0.000314 -0.001549 0.005988 -0.001830 1Rh 1dz2 -0.000134 -0.000014 0.000373 0.000046 0.000175 0.000307 1Rh 1dxz 0.000229 -0.000025 0.000513 0.000117 0.000280 0.000376 1Rh 1dyz 0.000052 0.000073 0.000098 0.000020 0.000029 0.000074 1Rh 1dx2y2 0.000058 0.000099 -0.000757 -0.000103 -0.000403 -0.000596 1Rh 1dxy 0.000025 -0.000248 -0.000284 -0.000053 -0.000110 -0.000240 1Rh 2dz2 0.000010 0.000003 -0.000029 -0.000030 -0.000024 0.000038 1Rh 2dxz -0.000002 -0.000001 -0.000014 0.000021 0.000004 0.000006 1Rh 2dyz -0.000007 -0.000011 -0.000003 0.000014 -0.000018 0.000007 1Rh 2dx2y2 -0.000018 -0.000012 0.000042 0.000038 0.000011 -0.000045 1Rh 2dxy -0.000004 0.000023 0.000005 -0.000008 0.000054 -0.000022 1Rh 3dz2 0.000244 0.000007 -0.000286 -0.000070 -0.000151 -0.000447 1Rh 3dxz -0.000459 0.000043 -0.000593 -0.000017 -0.000261 -0.000418 1Rh 3dyz -0.000061 -0.000134 -0.000080 -0.000010 -0.000040 -0.000098 1Rh 3dx2y2 -0.000080 -0.000146 0.000718 0.000089 0.000374 0.000773 1Rh 3dxy -0.000037 0.000427 0.000214 0.000020 0.000143 0.000323 1Rh 4dz2 -0.000014 0.000059 -0.000847 0.000004 -0.000318 -0.000740 1Rh 4dxz 0.000095 0.000021 -0.000867 -0.000492 -0.000607 -0.001060 1Rh 4dyz -0.000063 0.000069 -0.000226 -0.000099 0.000034 -0.000207 1Rh 4dx2y2 0.000020 -0.000037 0.001528 0.000136 0.000827 0.001535 1Rh 4dxy -0.000006 -0.000001 0.000671 0.000179 0.000022 0.000635 1Rh 5dz2 0.000516 -0.000017 -0.001381 0.000089 -0.000651 0.000240 1Rh 5dxz -0.001032 0.000096 -0.001603 -0.000625 -0.001069 0.000281 1Rh 5dyz -0.000214 -0.000396 -0.000416 -0.000101 -0.000077 0.000100 1Rh 5dx2y2 -0.000274 -0.000515 0.002514 0.000248 0.001471 -0.000352 1Rh 5dxy -0.000111 0.001030 0.001203 0.000317 0.000131 -0.000237 1Rh 1f0 -0.000473 -0.000462 -0.000314 0.000642 -0.000408 0.000949 1Rh 1f+1 -0.000447 -0.000061 0.000116 0.000735 0.000319 -0.000834 1Rh 1f-1 0.000497 -0.000416 0.000360 -0.000236 -0.000343 -0.000194 1Rh 1f+2 -0.000202 -0.000377 0.000480 0.000216 -0.000160 -0.001124 1Rh 1f-2 0.000145 -0.000140 0.000251 -0.000176 0.000093 -0.000512 1Rh 1f+3 0.000091 -0.000158 0.000578 0.000213 0.000004 -0.001423 1Rh 1f-3 -0.000159 0.000378 0.000069 0.000007 0.000852 -0.000984 2C 1s -0.000006 0.000004 -0.000000 -0.000000 -0.000001 -0.000000 2C 2s -0.000023 0.000015 -0.000001 -0.000000 -0.000001 0.000000 2C 3s 0.000416 -0.000292 0.000149 -0.000004 0.000059 -0.000037 2C 4s -0.002271 0.001578 -0.000908 0.000001 -0.000385 0.000198 2C 5s 0.001678 -0.000985 -0.002312 0.000062 -0.001018 -0.000142 2C 1pz 0.000049 -0.000033 0.000015 0.000007 0.000008 0.000003 2C 1px 0.000015 -0.000011 0.000008 -0.000004 0.000002 -0.000009 2C 1py 0.000032 -0.000018 0.000009 -0.000005 0.000005 -0.000004 2C 2pz -0.000848 0.000570 -0.000388 -0.000089 -0.000172 0.000063 2C 2px -0.000239 0.000193 -0.000116 0.000044 -0.000046 -0.000075 2C 2py -0.000578 0.000351 -0.000247 0.000047 -0.000117 0.000039 2C 3pz 0.000149 -0.000165 -0.000759 -0.000126 -0.000704 -0.000090 2C 3px 0.000024 -0.000275 -0.000591 0.000543 0.000699 0.000362 2C 3py 0.000254 0.000138 -0.000745 -0.000017 -0.000147 0.000056 2C 1dz2 -0.000008 0.000017 -0.000010 0.000012 0.000015 0.000006 2C 1dxz -0.000005 0.000005 0.000014 -0.000014 -0.000018 -0.000006 2C 1dyz -0.000022 0.000007 0.000002 -0.000001 -0.000003 0.000000 2C 1dx2y2 0.000013 0.000001 0.000006 -0.000005 -0.000010 -0.000001 2C 1dxy 0.000002 0.000007 0.000010 -0.000014 -0.000013 -0.000004 2C 2dz2 -0.000182 0.000091 -0.000041 -0.000084 -0.000136 -0.000036 2C 2dxz -0.000023 0.000007 -0.000109 0.000116 0.000108 0.000124 2C 2dyz -0.000278 0.000210 -0.000169 -0.000018 -0.000078 -0.000028 2C 2dx2y2 0.000030 -0.000027 0.000023 0.000040 0.000043 -0.000069 2C 2dxy -0.000073 -0.000010 -0.000092 0.000058 0.000081 0.000064 2C 1f0 -0.000008 0.000017 -0.000002 -0.000006 -0.000010 -0.000014 2C 1f+1 -0.000017 0.000015 -0.000010 0.000005 -0.000004 0.000006 2C 1f-1 -0.000032 0.000023 -0.000014 -0.000000 -0.000005 0.000005 2C 1f+2 0.000031 -0.000022 0.000017 0.000004 0.000009 0.000005 2C 1f-2 -0.000013 0.000009 -0.000013 0.000007 0.000006 0.000019 2C 1f+3 -0.000001 -0.000003 0.000005 -0.000001 0.000006 0.000003 2C 1f-3 -0.000015 0.000006 -0.000004 -0.000005 -0.000006 -0.000009 3C 1s -0.000004 -0.000006 -0.000001 -0.000000 -0.000000 0.000000 3C 2s -0.000014 -0.000023 -0.000001 -0.000000 -0.000000 0.000000 3C 3s 0.000301 0.000449 0.000176 0.000059 0.000089 0.000012 3C 4s -0.001626 -0.002471 -0.001072 -0.000412 -0.000506 -0.000073 3C 5s 0.000739 0.001616 -0.002257 -0.000806 -0.000739 0.000339 3C 1pz 0.000010 0.000024 0.000009 0.000006 0.000002 0.000003 3C 1px 0.000015 0.000023 0.000005 0.000003 0.000012 -0.000009 3C 1py -0.000037 -0.000055 -0.000024 -0.000009 -0.000004 -0.000005 3C 2pz -0.000255 -0.000513 -0.000249 -0.000154 -0.000079 0.000005 3C 2px -0.000264 -0.000397 -0.000182 -0.000092 -0.000152 -0.000095 3C 2py 0.000630 0.000989 0.000537 0.000253 0.000136 0.000060 3C 3pz -0.000269 0.000229 -0.000605 -0.000413 -0.000048 -0.000073 3C 3px 0.000071 0.000004 -0.000272 0.000774 -0.000620 0.000342 3C 3py -0.000190 -0.000149 0.000868 0.000394 0.000375 -0.000052 3C 1dz2 0.000012 -0.000007 0.000002 0.000008 -0.000008 0.000002 3C 1dxz -0.000003 -0.000011 -0.000003 -0.000003 0.000005 -0.000002 3C 1dyz 0.000009 0.000022 0.000002 -0.000004 0.000004 -0.000001 3C 1dx2y2 0.000012 0.000013 -0.000003 -0.000014 0.000012 -0.000003 3C 1dxy 0.000005 0.000012 0.000007 0.000029 -0.000019 0.000008 3C 2dz2 0.000014 0.000112 0.000041 -0.000037 0.000054 -0.000020 3C 2dxz -0.000026 -0.000086 -0.000063 0.000018 -0.000034 0.000099 3C 2dyz 0.000177 0.000272 0.000199 0.000138 0.000032 0.000103 3C 2dx2y2 0.000101 0.000164 0.000123 0.000154 -0.000026 0.000037 3C 2dxy 0.000101 0.000159 0.000078 -0.000099 0.000149 -0.000052 3C 1f0 0.000006 0.000016 0.000004 -0.000000 -0.000001 0.000001 3C 1f+1 -0.000004 -0.000009 -0.000008 -0.000004 0.000000 -0.000008 3C 1f-1 -0.000008 0.000004 0.000000 0.000006 -0.000004 0.000006 3C 1f+2 0.000026 0.000028 0.000020 0.000009 0.000011 0.000007 3C 1f-2 0.000023 0.000032 0.000021 0.000003 0.000012 -0.000001 3C 1f+3 -0.000019 -0.000032 -0.000015 -0.000004 -0.000011 0.000009 3C 1f-3 0.000019 0.000015 0.000009 0.000015 -0.000002 0.000020 4C 1s -0.000227 0.000141 -0.000058 -0.000022 -0.000048 -0.000006 4C 2s -0.000417 0.000259 -0.000117 -0.000043 -0.000093 -0.000012 4C 3s 0.000037 -0.000032 -0.000238 -0.000067 -0.000128 0.000041 4C 4s 0.002056 -0.001174 0.002223 0.000765 0.001376 -0.000159 4C 5s -0.005410 0.003340 -0.000517 -0.000171 -0.001182 -0.000304 4C 1pz 0.000423 -0.000251 0.000175 -0.000049 -0.000019 -0.000040 4C 1px 0.000059 -0.000041 -0.000192 0.000267 0.000323 0.000144 4C 1py 0.000268 -0.000191 0.000037 0.000072 0.000114 0.000029 4C 2pz -0.000754 0.000254 -0.000142 0.000313 0.000371 0.000092 4C 2px 0.000249 0.000157 0.000544 -0.000560 -0.000807 -0.000148 4C 2py -0.000146 0.000488 0.000119 -0.000011 -0.000097 0.000002 4C 3pz -0.002231 0.001402 -0.002997 0.000465 -0.000972 0.000385 4C 3px -0.000349 0.001026 0.000209 -0.001378 -0.002036 -0.001316 4C 3py -0.001608 0.001050 -0.001663 -0.000200 -0.001339 -0.000267 4C 1dz2 -0.000003 -0.000016 -0.000009 -0.000024 -0.000042 -0.000014 4C 1dxz -0.000001 0.000004 -0.000080 0.000022 0.000017 0.000030 4C 1dyz 0.000033 -0.000012 0.000002 -0.000001 0.000007 -0.000001 4C 1dx2y2 0.000006 -0.000010 0.000061 0.000014 0.000051 0.000001 4C 1dxy 0.000019 -0.000007 0.000007 0.000045 0.000050 0.000022 4C 2dz2 0.000310 -0.000264 0.000096 0.000019 0.000125 0.000024 4C 2dxz 0.000287 -0.000133 0.000126 -0.000073 -0.000072 -0.000084 4C 2dyz 0.000580 -0.000382 0.000312 0.000043 0.000167 -0.000014 4C 2dx2y2 -0.000156 0.000117 0.000048 0.000041 0.000007 -0.000006 4C 2dxy 0.000213 -0.000056 0.000164 0.000059 -0.000039 -0.000083 4C 1f0 -0.000019 0.000015 -0.000015 -0.000035 -0.000026 0.000040 4C 1f+1 -0.000040 0.000052 -0.000066 0.000008 -0.000022 -0.000028 4C 1f-1 0.000005 -0.000012 0.000010 0.000018 0.000016 0.000016 4C 1f+2 0.000013 -0.000030 0.000016 0.000039 0.000049 -0.000030 4C 1f-2 -0.000005 -0.000022 -0.000002 0.000001 0.000016 -0.000041 4C 1f+3 0.000017 0.000026 -0.000022 0.000018 0.000051 -0.000037 4C 1f-3 -0.000079 -0.000000 -0.000068 -0.000008 -0.000004 -0.000002 5C 1s -0.000141 -0.000225 -0.000074 -0.000020 -0.000032 0.000002 5C 2s -0.000259 -0.000412 -0.000142 -0.000037 -0.000065 0.000005 5C 3s 0.000010 0.000001 -0.000368 -0.000016 -0.000150 -0.000049 5C 4s 0.001287 0.002105 0.003040 0.000219 0.001294 0.000181 5C 5s -0.003258 -0.005292 -0.000466 -0.000594 -0.000751 -0.000281 5C 1pz 0.000171 0.000250 0.000056 -0.000092 0.000120 -0.000046 5C 1px 0.000103 0.000127 0.000128 0.000386 -0.000237 0.000140 5C 1py -0.000248 -0.000420 -0.000118 0.000026 -0.000108 0.000026 5C 2pz -0.000303 -0.000333 0.000150 0.000194 -0.000189 0.000011 5C 2px -0.000599 0.000026 -0.000258 -0.001093 0.000683 -0.000161 5C 2py 0.000203 0.000788 -0.000122 0.000032 0.000069 0.000028 5C 3pz -0.000692 -0.001674 -0.001462 0.000023 -0.001189 0.000564 5C 3px -0.000922 -0.000324 -0.001086 -0.002248 0.000854 -0.001180 5C 3py 0.001573 0.002398 0.002541 0.000615 0.001471 -0.000445 5C 1dz2 -0.000021 -0.000013 -0.000048 -0.000021 -0.000008 -0.000010 5C 1dxz -0.000014 -0.000002 -0.000036 0.000017 -0.000052 0.000014 5C 1dyz -0.000017 -0.000028 -0.000016 0.000024 -0.000028 0.000016 5C 1dx2y2 -0.000011 0.000006 0.000077 0.000044 0.000015 0.000018 5C 1dxy 0.000009 -0.000007 0.000020 -0.000050 0.000044 -0.000027 5C 2dz2 -0.000013 -0.000121 -0.000153 0.000074 -0.000081 0.000019 5C 2dxz 0.000115 0.000252 -0.000033 0.000003 0.000005 -0.000065 5C 2dyz -0.000402 -0.000559 -0.000446 -0.000174 -0.000118 -0.000082 5C 2dx2y2 -0.000322 -0.000357 -0.000120 -0.000254 0.000027 -0.000047 5C 2dxy -0.000160 -0.000395 -0.000092 -0.000001 -0.000150 0.000067 5C 1f0 -0.000014 -0.000039 -0.000043 -0.000042 -0.000007 0.000017 5C 1f+1 0.000014 -0.000055 -0.000050 0.000029 -0.000028 -0.000008 5C 1f-1 0.000013 -0.000008 -0.000007 0.000003 0.000006 -0.000018 5C 1f+2 -0.000025 0.000021 -0.000002 0.000040 -0.000026 -0.000040 5C 1f-2 0.000035 0.000020 0.000055 0.000019 -0.000001 0.000022 5C 1f+3 -0.000020 -0.000037 -0.000035 0.000025 -0.000059 -0.000047 5C 1f-3 0.000056 0.000044 0.000076 0.000025 0.000016 -0.000035 6C 1s 0.000140 0.000228 -0.000065 -0.000002 -0.000044 -0.000004 6C 2s 0.000256 0.000416 -0.000127 -0.000003 -0.000087 -0.000008 6C 3s -0.000020 0.000015 -0.000361 -0.000014 -0.000150 0.000042 6C 4s -0.001213 -0.002226 0.002922 0.000031 0.001404 -0.000114 6C 5s 0.003263 0.005255 -0.000291 -0.000163 -0.001034 0.000241 6C 1pz 0.000164 0.000241 -0.000047 0.000114 -0.000133 -0.000048 6C 1px 0.000122 0.000163 -0.000125 -0.000372 0.000229 0.000139 6C 1py -0.000242 -0.000418 0.000102 -0.000060 0.000131 0.000030 6C 2pz -0.000296 -0.000298 -0.000148 -0.000227 0.000207 0.000021 6C 2px -0.000658 -0.000076 0.000276 0.001031 -0.000693 -0.000162 6C 2py 0.000207 0.000766 0.000150 0.000010 -0.000122 0.000014 6C 3pz -0.000651 -0.001657 0.001390 -0.000124 0.001283 0.000606 6C 3px -0.001026 -0.000517 0.001119 0.002144 -0.000840 -0.001165 6C 3py 0.001539 0.002432 -0.002466 -0.000415 -0.001593 -0.000513 6C 1dz2 0.000021 0.000016 -0.000048 -0.000019 -0.000008 0.000009 6C 1dxz 0.000012 -0.000000 -0.000036 0.000018 -0.000052 -0.000015 6C 1dyz 0.000015 0.000026 -0.000014 0.000026 -0.000029 -0.000017 6C 1dx2y2 0.000011 -0.000011 0.000077 0.000045 0.000016 -0.000016 6C 1dxy -0.000005 0.000010 0.000020 -0.000050 0.000043 0.000027 6C 2dz2 0.000004 0.000125 -0.000144 0.000080 -0.000088 -0.000022 6C 2dxz -0.000115 -0.000246 -0.000038 -0.000013 0.000019 0.000068 6C 2dyz 0.000400 0.000584 -0.000424 -0.000120 -0.000149 0.000071 6C 2dx2y2 0.000334 0.000370 -0.000115 -0.000215 0.000008 0.000041 6C 2dxy 0.000158 0.000388 -0.000080 0.000022 -0.000173 -0.000074 6C 1f0 -0.000016 -0.000043 0.000040 0.000040 0.000009 0.000017 6C 1f+1 0.000017 -0.000055 0.000046 -0.000030 0.000032 -0.000007 6C 1f-1 0.000013 -0.000009 0.000006 -0.000002 -0.000005 -0.000018 6C 1f+2 -0.000022 0.000024 0.000005 -0.000041 0.000024 -0.000040 6C 1f-2 0.000034 0.000024 -0.000055 -0.000015 -0.000000 0.000021 6C 1f+3 -0.000018 -0.000035 0.000034 -0.000028 0.000062 -0.000046 6C 1f-3 0.000055 0.000049 -0.000074 -0.000019 -0.000018 -0.000037 7C 1s 0.000227 -0.000139 -0.000077 -0.000008 -0.000033 0.000005 7C 2s 0.000416 -0.000255 -0.000150 -0.000018 -0.000066 0.000008 7C 3s -0.000038 0.000038 -0.000228 -0.000067 -0.000128 -0.000050 7C 4s -0.002048 0.001119 0.002348 0.000628 0.001235 0.000237 7C 5s 0.005370 -0.003376 -0.000966 0.000141 -0.000839 0.000277 7C 1pz 0.000409 -0.000239 -0.000207 0.000074 0.000045 -0.000043 7C 1px 0.000096 -0.000065 0.000182 -0.000263 -0.000319 0.000143 7C 1py 0.000273 -0.000193 -0.000062 -0.000056 -0.000095 0.000027 7C 2pz -0.000713 0.000220 0.000191 -0.000364 -0.000405 0.000096 7C 2px 0.000165 0.000220 -0.000526 0.000583 0.000799 -0.000149 7C 2py -0.000155 0.000495 -0.000073 0.000014 0.000058 0.000004 7C 3pz -0.002085 0.001243 0.003171 -0.000582 0.000831 0.000455 7C 3px -0.000516 0.001112 -0.000096 0.001375 0.001964 -0.001301 7C 3py -0.001583 0.000993 0.001812 0.000111 0.001242 -0.000222 7C 1dz2 0.000006 0.000014 -0.000008 -0.000024 -0.000043 0.000013 7C 1dxz -0.000004 0.000001 -0.000080 0.000022 0.000018 -0.000031 7C 1dyz -0.000033 0.000013 0.000004 -0.000003 0.000005 0.000001 7C 1dx2y2 -0.000005 0.000009 0.000062 0.000014 0.000050 0.000001 7C 1dxy -0.000024 0.000008 0.000009 0.000043 0.000049 -0.000021 7C 2dz2 -0.000308 0.000259 0.000127 0.000005 0.000099 -0.000021 7C 2dxz -0.000275 0.000118 0.000145 -0.000092 -0.000085 0.000086 7C 2dyz -0.000574 0.000369 0.000361 0.000009 0.000127 0.000024 7C 2dx2y2 0.000156 -0.000114 0.000029 0.000047 0.000016 0.000008 7C 2dxy -0.000211 0.000044 0.000171 0.000043 -0.000049 0.000086 7C 1f0 -0.000022 0.000015 0.000016 0.000034 0.000024 0.000041 7C 1f+1 -0.000036 0.000050 0.000071 -0.000010 0.000018 -0.000027 7C 1f-1 0.000006 -0.000012 -0.000011 -0.000018 -0.000016 0.000016 7C 1f+2 0.000017 -0.000031 -0.000018 -0.000038 -0.000046 -0.000031 7C 1f-2 -0.000004 -0.000024 0.000002 -0.000002 -0.000014 -0.000041 7C 1f+3 0.000021 0.000021 0.000023 -0.000016 -0.000052 -0.000037 7C 1f-3 -0.000077 -0.000004 0.000070 0.000002 0.000003 -0.000000 8C 1s 0.000004 0.000006 -0.000001 0.000000 -0.000001 -0.000000 8C 2s 0.000014 0.000023 0.000000 0.000001 -0.000002 -0.000000 8C 3s -0.000299 -0.000454 0.000160 0.000018 0.000114 -0.000004 8C 4s 0.001616 0.002506 -0.000987 -0.000191 -0.000643 0.000028 8C 5s -0.000743 -0.001524 -0.002340 -0.000927 -0.000646 -0.000375 8C 1pz 0.000011 0.000024 -0.000008 -0.000004 -0.000004 0.000003 8C 1px 0.000016 0.000023 -0.000005 -0.000001 -0.000013 -0.000010 8C 1py -0.000037 -0.000056 0.000022 0.000004 0.000006 -0.000004 8C 2pz -0.000258 -0.000525 0.000229 0.000115 0.000111 0.000016 8C 2px -0.000268 -0.000400 0.000171 0.000055 0.000174 -0.000087 8C 2py 0.000629 0.001015 -0.000503 -0.000166 -0.000191 0.000040 8C 3pz -0.000275 0.000186 0.000634 0.000396 0.000025 -0.000060 8C 3px 0.000128 0.000059 0.000266 -0.000762 0.000619 0.000351 8C 3py -0.000186 -0.000112 -0.000871 -0.000415 -0.000371 -0.000072 8C 1dz2 -0.000012 0.000006 0.000003 0.000008 -0.000009 -0.000002 8C 1dxz 0.000003 0.000012 -0.000003 -0.000002 0.000004 0.000002 8C 1dyz -0.000008 -0.000022 0.000001 -0.000005 0.000006 0.000001 8C 1dx2y2 -0.000011 -0.000012 -0.000003 -0.000016 0.000013 0.000003 8C 1dxy -0.000006 -0.000015 0.000006 0.000028 -0.000018 -0.000008 8C 2dz2 -0.000011 -0.000110 0.000035 -0.000042 0.000062 0.000020 8C 2dxz 0.000022 0.000086 -0.000057 0.000023 -0.000039 -0.000102 8C 2dyz -0.000180 -0.000286 0.000191 0.000113 0.000048 -0.000097 8C 2dx2y2 -0.000107 -0.000177 0.000118 0.000140 -0.000016 -0.000032 8C 2dxy -0.000094 -0.000149 0.000072 -0.000112 0.000157 0.000057 8C 1f0 0.000006 0.000017 -0.000003 0.000002 0.000000 0.000001 8C 1f+1 -0.000003 -0.000010 0.000007 0.000003 0.000000 -0.000008 8C 1f-1 -0.000008 0.000005 0.000000 -0.000006 0.000004 0.000006 8C 1f+2 0.000025 0.000029 -0.000020 -0.000006 -0.000012 0.000006 8C 1f-2 0.000023 0.000033 -0.000020 0.000000 -0.000014 -0.000002 8C 1f+3 -0.000019 -0.000032 0.000013 0.000002 0.000013 0.000010 8C 1f-3 0.000020 0.000016 -0.000009 -0.000012 0.000001 0.000019 9C 1s 0.000006 -0.000004 -0.000001 -0.000000 -0.000000 0.000000 9C 2s 0.000023 -0.000015 -0.000003 0.000001 0.000000 -0.000000 9C 3s -0.000410 0.000283 0.000184 -0.000029 0.000028 0.000043 9C 4s 0.002236 -0.001527 -0.001099 0.000134 -0.000217 -0.000233 9C 5s -0.001724 0.001117 -0.002187 -0.000053 -0.001140 0.000098 9C 1pz 0.000048 -0.000032 -0.000019 -0.000005 -0.000004 0.000003 9C 1px 0.000014 -0.000011 -0.000009 0.000005 -0.000001 -0.000009 9C 1py 0.000032 -0.000018 -0.000012 0.000007 -0.000003 -0.000005 9C 2pz -0.000839 0.000545 0.000458 0.000038 0.000111 0.000078 9C 2px -0.000230 0.000188 0.000139 -0.000053 0.000026 -0.000073 9C 2py -0.000572 0.000344 0.000296 -0.000081 0.000081 0.000047 9C 3pz 0.000148 -0.000184 0.000743 0.000135 0.000721 -0.000070 9C 3px 0.000106 -0.000340 0.000559 -0.000554 -0.000678 0.000366 9C 3py 0.000279 0.000090 0.000747 0.000043 0.000143 0.000075 9C 1dz2 0.000006 -0.000016 -0.000011 0.000012 0.000016 -0.000006 9C 1dxz 0.000007 -0.000006 0.000013 -0.000014 -0.000017 0.000006 9C 1dyz 0.000022 -0.000007 0.000001 0.000001 -0.000001 -0.000001 9C 1dx2y2 -0.000012 -0.000001 0.000007 -0.000006 -0.000011 0.000001 9C 1dxy -0.000001 -0.000008 0.000010 -0.000015 -0.000013 0.000004 9C 2dz2 0.000188 -0.000093 -0.000055 -0.000072 -0.000125 0.000033 9C 2dxz 0.000005 0.000005 -0.000107 0.000116 0.000110 -0.000127 9C 2dyz 0.000274 -0.000203 -0.000195 -0.000003 -0.000057 0.000022 9C 2dx2y2 -0.000035 0.000026 0.000026 0.000038 0.000039 0.000070 9C 2dxy 0.000062 0.000019 -0.000094 0.000065 0.000085 -0.000063 9C 1f0 -0.000008 0.000016 0.000004 0.000006 0.000008 -0.000014 9C 1f+1 -0.000016 0.000014 0.000011 -0.000005 0.000002 0.000006 9C 1f-1 -0.000032 0.000022 0.000017 -0.000002 0.000003 0.000006 9C 1f+2 0.000031 -0.000021 -0.000020 -0.000002 -0.000006 0.000004 9C 1f-2 -0.000012 0.000008 0.000014 -0.000008 -0.000007 0.000020 9C 1f+3 -0.000001 -0.000003 -0.000006 0.000001 -0.000006 0.000003 9C 1f-3 -0.000016 0.000006 0.000005 0.000004 0.000005 -0.000010 10H 1s 0.000020 -0.000013 -0.000014 0.000008 0.000006 -0.000002 10H 2s 0.000034 -0.000093 0.000113 -0.000008 0.000088 0.000214 10H 3s -0.000430 0.000396 -0.000047 -0.000177 -0.000466 -0.000240 10H 1pz 0.000018 -0.000025 0.000011 -0.000007 0.000003 0.000019 10H 1px -0.000029 0.000030 -0.000007 -0.000007 -0.000023 -0.000022 10H 1py 0.000011 -0.000006 0.000006 -0.000003 -0.000000 0.000009 11H 1s 0.000013 -0.000004 -0.000011 -0.000004 -0.000013 0.000001 11H 2s -0.000143 0.000044 0.000072 -0.000068 0.000025 -0.000120 11H 3s -0.000326 0.000033 -0.000192 0.000163 -0.000014 0.000181 11H 1pz 0.000012 -0.000016 0.000008 -0.000009 0.000000 -0.000015 11H 1px -0.000001 -0.000003 0.000005 -0.000008 -0.000002 -0.000016 11H 1py 0.000004 -0.000008 -0.000006 0.000009 0.000006 0.000007 12H 1s 0.000015 -0.000012 -0.000008 -0.000009 -0.000010 0.000003 12H 2s -0.000094 0.000089 0.000104 0.000049 -0.000008 -0.000156 12H 3s -0.000255 0.000278 -0.000343 -0.000049 0.000126 0.000210 12H 1pz 0.000009 0.000004 -0.000010 0.000006 0.000007 0.000002 12H 1px -0.000002 0.000000 0.000004 0.000000 -0.000004 -0.000014 12H 1py 0.000014 -0.000009 0.000017 0.000004 -0.000005 -0.000023 13H 1s 0.000014 0.000020 -0.000007 0.000009 -0.000013 -0.000002 13H 2s 0.000082 -0.000037 0.000113 0.000030 0.000117 0.000209 13H 3s -0.000341 -0.000348 -0.000207 -0.000342 -0.000081 -0.000257 13H 1pz 0.000026 0.000022 0.000015 0.000008 0.000013 0.000024 13H 1px -0.000024 -0.000013 -0.000013 -0.000015 -0.000005 -0.000017 13H 1py -0.000017 -0.000008 -0.000004 0.000003 -0.000011 -0.000017 14H 1s 0.000008 0.000015 -0.000015 -0.000007 0.000001 0.000005 14H 2s -0.000013 -0.000032 0.000141 -0.000037 0.000037 -0.000169 14H 3s -0.000293 -0.000342 -0.000236 0.000277 -0.000188 0.000161 14H 1pz 0.000016 0.000020 0.000014 -0.000005 0.000008 -0.000011 14H 1px 0.000016 0.000015 0.000016 -0.000009 0.000007 -0.000023 14H 1py 0.000003 -0.000009 -0.000001 -0.000008 0.000007 0.000001 15H 1s -0.000002 0.000013 -0.000015 -0.000007 -0.000009 0.000001 15H 2s -0.000002 -0.000133 0.000042 -0.000005 0.000086 -0.000095 15H 3s 0.000014 -0.000338 -0.000071 0.000093 -0.000257 0.000093 15H 1pz 0.000005 0.000004 0.000002 0.000008 -0.000008 0.000010 15H 1px 0.000006 0.000001 0.000001 0.000004 -0.000001 -0.000004 15H 1py -0.000021 -0.000011 -0.000006 0.000001 -0.000013 0.000011 16H 1s -0.000002 -0.000008 -0.000211 -0.000033 -0.000095 -0.000179 16H 2s 0.000191 -0.000087 0.001049 0.000296 0.000654 0.000404 16H 3s -0.000953 0.000442 0.000161 -0.000481 -0.000385 -0.000078 16H 1pz 0.000004 -0.000002 0.000140 0.000045 0.000091 0.000060 16H 1px 0.000099 -0.000044 -0.000119 0.000029 -0.000016 -0.000036 16H 1py 0.000032 -0.000019 -0.000029 0.000013 0.000018 0.000001 17H 1s 0.000009 -0.000009 -0.000205 -0.000041 -0.000093 -0.000174 17H 2s -0.000145 -0.000135 0.001094 0.000089 0.000603 0.000400 17H 3s 0.000702 0.000686 -0.000138 0.000536 -0.000241 -0.000085 17H 1pz 0.000045 0.000046 -0.000059 0.000037 -0.000046 -0.000024 17H 1px -0.000071 -0.000057 -0.000177 -0.000074 -0.000081 -0.000076 17H 1py -0.000026 -0.000029 0.000003 -0.000030 0.000022 0.000011 18H 1s -0.000011 0.000017 -0.000207 -0.000043 -0.000096 0.000170 18H 2s 0.000161 0.000096 0.001106 0.000111 0.000602 -0.000381 18H 3s -0.000758 -0.000689 -0.000160 0.000463 -0.000202 0.000083 18H 1pz 0.000049 0.000045 0.000062 -0.000032 0.000044 -0.000024 18H 1px -0.000075 -0.000064 0.000177 0.000068 0.000085 -0.000072 18H 1py -0.000027 -0.000029 -0.000001 0.000026 -0.000018 0.000009 19H 1s -0.000002 0.000016 -0.000213 -0.000034 -0.000098 0.000175 19H 2s -0.000192 0.000051 0.001073 0.000290 0.000650 -0.000387 19H 3s 0.000991 -0.000484 0.000095 -0.000405 -0.000342 0.000075 19H 1pz 0.000006 0.000004 -0.000142 -0.000045 -0.000091 0.000058 19H 1px 0.000104 -0.000052 0.000114 -0.000020 0.000021 -0.000034 19H 1py 0.000036 -0.000022 0.000024 -0.000012 -0.000018 0.000002 20H 1s 0.000002 -0.000012 -0.000016 -0.000007 -0.000008 -0.000001 20H 2s 0.000004 0.000135 0.000050 -0.000000 0.000078 0.000099 20H 3s -0.000019 0.000324 -0.000045 0.000106 -0.000284 -0.000101 20H 1pz 0.000006 0.000005 -0.000002 -0.000008 0.000008 0.000010 20H 1px 0.000006 0.000001 -0.000001 -0.000004 0.000001 -0.000005 20H 1py -0.000021 -0.000011 0.000007 -0.000003 0.000013 0.000012 21H 1s -0.000008 -0.000014 -0.000015 -0.000008 0.000001 -0.000005 21H 2s 0.000023 0.000028 0.000140 -0.000034 0.000034 0.000172 21H 3s 0.000262 0.000333 -0.000222 0.000311 -0.000202 -0.000168 21H 1pz 0.000015 0.000020 -0.000014 0.000007 -0.000009 -0.000012 21H 1px 0.000015 0.000015 -0.000015 0.000011 -0.000008 -0.000023 21H 1py 0.000002 -0.000010 0.000000 0.000008 -0.000006 0.000001 22H 1s -0.000014 -0.000021 -0.000008 0.000008 -0.000012 0.000002 22H 2s -0.000080 0.000035 0.000122 0.000024 0.000114 -0.000206 22H 3s 0.000356 0.000367 -0.000204 -0.000300 -0.000097 0.000249 22H 1pz 0.000026 0.000022 -0.000015 -0.000005 -0.000014 0.000023 22H 1px -0.000025 -0.000015 0.000013 0.000013 0.000006 -0.000016 22H 1py -0.000017 -0.000007 0.000005 -0.000005 0.000012 -0.000017 23H 1s -0.000014 0.000012 -0.000006 -0.000010 -0.000011 -0.000003 23H 2s 0.000094 -0.000102 0.000091 0.000052 -0.000002 0.000158 23H 3s 0.000234 -0.000249 -0.000367 -0.000035 0.000153 -0.000218 23H 1pz 0.000011 0.000003 0.000009 -0.000005 -0.000007 0.000003 23H 1px -0.000002 0.000001 -0.000004 -0.000000 0.000004 -0.000014 23H 1py 0.000013 -0.000007 -0.000017 -0.000002 0.000007 -0.000024 24H 1s -0.000013 0.000004 -0.000010 -0.000005 -0.000014 -0.000001 24H 2s 0.000150 -0.000049 0.000061 -0.000058 0.000032 0.000124 24H 3s 0.000303 -0.000032 -0.000204 0.000194 -0.000002 -0.000189 24H 1pz 0.000011 -0.000015 -0.000009 0.000009 0.000001 -0.000015 24H 1px -0.000002 -0.000002 -0.000005 0.000009 0.000002 -0.000017 24H 1py 0.000004 -0.000009 0.000005 -0.000009 -0.000006 0.000007 25H 1s -0.000021 0.000014 -0.000012 0.000007 0.000004 0.000002 25H 2s -0.000032 0.000090 0.000123 -0.000007 0.000082 -0.000211 25H 3s 0.000448 -0.000418 -0.000094 -0.000160 -0.000428 0.000233 25H 1pz 0.000017 -0.000025 -0.000013 0.000007 -0.000001 0.000019 25H 1px -0.000030 0.000030 0.000011 0.000005 0.000021 -0.000022 25H 1py 0.000010 -0.000006 -0.000006 0.000003 0.000001 0.000009 26O 1s -0.001010 0.000624 0.000533 -0.000732 -0.000878 -0.000060 26O 2s -0.002330 0.001439 0.001230 -0.001688 -0.002023 -0.000139 26O 3s 0.002709 -0.001657 -0.001368 0.001938 0.002321 0.000177 26O 4s 0.005117 -0.003188 -0.002865 0.003624 0.004315 -0.000012 26O 5s -0.000529 -0.000440 -0.001069 0.000906 0.001869 0.001779 26O 1pz 0.002166 -0.001536 -0.001167 0.001492 0.002073 0.000181 26O 1px 0.000164 -0.000226 -0.000602 0.000117 0.000184 -0.000304 26O 1py 0.001627 -0.000686 -0.000881 0.001316 0.001114 -0.000008 26O 2pz 0.001998 -0.001632 -0.001139 0.001537 0.002406 0.000483 26O 2px 0.000523 -0.000504 -0.000349 -0.000004 0.000160 -0.000531 26O 2py 0.001885 -0.000533 -0.000702 0.001617 0.001103 0.000100 26O 3pz 0.000189 0.000521 -0.000202 0.000120 0.000100 0.000161 26O 3px -0.000632 0.001182 0.000633 -0.000382 -0.000818 -0.000213 26O 3py -0.000744 -0.000138 0.000176 -0.000293 -0.000087 0.000013 26O 1dz2 0.000124 -0.000120 -0.000064 0.000086 0.000122 0.000013 26O 1dxz 0.000039 -0.000034 -0.000079 0.000036 0.000041 -0.000014 26O 1dyz 0.000227 -0.000118 -0.000120 0.000151 0.000171 0.000003 26O 1dx2y2 -0.000067 0.000026 0.000049 -0.000050 -0.000043 -0.000004 26O 1dxy 0.000033 -0.000029 -0.000044 0.000032 0.000028 -0.000014 26O 2dz2 0.000188 -0.000367 -0.000065 0.000018 0.000638 0.000252 26O 2dxz 0.000154 -0.000263 -0.000310 -0.000032 0.000136 -0.000314 26O 2dyz 0.000653 -0.000275 -0.000309 0.000689 0.000546 0.000125 26O 2dx2y2 -0.000282 -0.000093 -0.000089 -0.000331 -0.000034 -0.000028 26O 2dxy 0.000182 -0.000120 -0.000356 0.000062 0.000088 -0.000225 26O 1f0 -0.000031 -0.000066 0.000011 -0.000050 0.000080 0.000041 26O 1f+1 0.000040 -0.000066 -0.000080 0.000003 0.000051 -0.000034 26O 1f-1 0.000124 -0.000091 -0.000056 0.000089 0.000141 0.000046 26O 1f+2 -0.000093 -0.000000 0.000013 -0.000108 -0.000035 -0.000024 26O 1f-2 0.000057 -0.000052 -0.000088 0.000012 0.000029 -0.000056 26O 1f+3 0.000025 -0.000021 -0.000038 0.000017 0.000002 -0.000023 26O 1f-3 0.000036 0.000012 -0.000007 0.000046 0.000009 0.000016 27O 1s -0.000618 -0.000990 -0.000281 -0.000995 0.000658 -0.000032 27O 2s -0.001422 -0.002284 -0.000652 -0.002293 0.001517 -0.000076 27O 3s 0.001609 0.002639 0.000828 0.002599 -0.001691 0.000131 27O 4s 0.003287 0.005058 0.001047 0.005015 -0.003447 -0.000218 27O 5s 0.000375 -0.000284 0.000618 0.002637 -0.001470 0.001612 27O 1pz 0.000650 0.001540 0.000597 0.001238 -0.001055 0.000107 27O 1px 0.000350 0.000656 -0.000136 0.000700 -0.000773 -0.000296 27O 1py -0.001510 -0.002079 -0.000535 -0.002300 0.001320 -0.000084 27O 2pz 0.000369 0.001559 0.000794 0.001238 -0.001301 0.000310 27O 2px 0.000466 0.001036 0.000024 0.000496 -0.000576 -0.000469 27O 2py -0.001629 -0.001925 -0.000593 -0.002564 0.001241 -0.000313 27O 3pz 0.000632 -0.000197 0.000179 0.000420 -0.000006 0.000132 27O 3px -0.000978 -0.000778 0.000342 -0.001122 0.000747 -0.000098 27O 3py 0.000703 -0.000346 -0.000424 -0.000019 0.000117 -0.000169 27O 1dz2 -0.000040 -0.000006 -0.000000 -0.000026 0.000012 0.000006 27O 1dxz 0.000032 0.000062 -0.000003 0.000062 -0.000067 -0.000005 27O 1dyz -0.000113 -0.000211 -0.000063 -0.000182 0.000122 -0.000007 27O 1dx2y2 -0.000105 -0.000124 -0.000029 -0.000131 0.000082 -0.000008 27O 1dxy -0.000058 -0.000103 0.000007 -0.000111 0.000094 0.000015 27O 2dz2 -0.000308 -0.000028 0.000273 -0.000392 -0.000042 0.000097 27O 2dxz 0.000014 0.000320 0.000066 0.000120 -0.000280 -0.000162 27O 2dyz -0.000190 -0.000561 -0.000382 -0.000553 0.000488 -0.000227 27O 2dx2y2 -0.000264 -0.000180 -0.000232 -0.000467 -0.000109 -0.000249 27O 2dxy -0.000311 -0.000380 0.000099 -0.000411 0.000391 0.000281 27O 1f0 -0.000059 -0.000065 -0.000013 -0.000080 0.000041 -0.000009 27O 1f+1 -0.000013 0.000037 0.000026 0.000006 -0.000041 0.000011 27O 1f-1 0.000052 -0.000060 -0.000076 0.000025 0.000068 -0.000030 27O 1f+2 -0.000051 -0.000082 -0.000063 -0.000103 0.000032 -0.000056 27O 1f-2 -0.000032 -0.000102 -0.000012 -0.000061 0.000098 0.000027 27O 1f+3 0.000068 0.000082 -0.000025 0.000096 -0.000069 -0.000027 27O 1f-3 -0.000048 -0.000003 -0.000037 -0.000070 -0.000026 -0.000060 28O 1s -0.001077 0.000672 -0.000566 0.000626 0.000713 0.000022 28O 2s -0.002480 0.001552 -0.001308 0.001441 0.001644 0.000054 28O 3s 0.002818 -0.001816 0.001574 -0.001615 -0.001842 -0.000111 28O 4s 0.005644 -0.003364 0.002422 -0.003170 -0.003703 0.000297 28O 5s 0.000361 0.000089 0.001847 -0.001813 -0.001652 -0.001718 28O 1pz 0.002188 -0.001580 0.001098 -0.001286 -0.001763 0.000086 28O 1px 0.000585 -0.000501 0.000618 -0.000143 -0.000183 -0.000292 28O 1py 0.001807 -0.000801 0.000854 -0.001154 -0.000949 -0.000059 28O 2pz 0.002174 -0.001732 0.001266 -0.001183 -0.001745 0.000008 28O 2px 0.000275 -0.000401 0.000714 -0.000250 -0.000478 -0.000569 28O 2py 0.001933 -0.000518 0.000976 -0.001423 -0.000866 -0.000231 28O 3pz -0.000439 0.000361 0.000496 0.000282 0.000406 -0.000242 28O 3px 0.001301 -0.000235 0.000374 -0.000823 -0.000751 -0.000177 28O 3py -0.000394 -0.000732 0.000315 -0.000029 -0.000141 -0.000236 28O 1dz2 0.000124 -0.000109 0.000046 -0.000084 -0.000120 0.000011 28O 1dxz 0.000070 -0.000060 0.000045 -0.000032 -0.000031 -0.000013 28O 1dyz 0.000234 -0.000132 0.000100 -0.000132 -0.000150 0.000005 28O 1dx2y2 -0.000082 0.000021 -0.000019 0.000047 0.000059 -0.000003 28O 1dxy 0.000064 -0.000036 0.000048 -0.000014 -0.000017 -0.000010 28O 2dz2 0.000278 -0.000508 0.000211 -0.000033 -0.000550 0.000145 28O 2dxz -0.000048 -0.000136 0.000394 0.000156 0.000037 -0.000343 28O 2dyz 0.000756 -0.000281 0.000428 -0.000611 -0.000427 -0.000082 28O 2dx2y2 -0.000233 -0.000043 -0.000115 0.000272 -0.000094 0.000009 28O 2dxy 0.000042 -0.000092 0.000250 -0.000061 -0.000005 -0.000279 28O 1f0 0.000005 -0.000090 -0.000001 0.000033 -0.000092 0.000033 28O 1f+1 0.000019 -0.000057 0.000065 0.000002 -0.000037 -0.000044 28O 1f-1 0.000138 -0.000106 0.000065 -0.000077 -0.000115 0.000002 28O 1f+2 -0.000128 0.000011 -0.000028 0.000110 0.000043 0.000000 28O 1f-2 0.000031 -0.000035 0.000084 -0.000002 -0.000012 -0.000066 28O 1f+3 0.000002 0.000001 0.000032 -0.000001 0.000018 -0.000029 28O 1f-3 0.000034 0.000018 -0.000001 -0.000034 -0.000002 0.000007 29O 1s -0.000009 0.000015 0.000380 0.000063 0.000184 0.000458 29O 2s -0.000019 0.000037 0.000862 0.000145 0.000415 0.001025 29O 3s 0.000019 -0.000067 -0.000802 -0.000148 -0.000345 -0.000770 29O 4s 0.000044 -0.000009 -0.001737 -0.000241 -0.000961 -0.003300 29O 5s -0.000032 0.000010 -0.002321 -0.000502 -0.001094 0.000744 29O 1pz -0.000082 -0.000003 -0.000242 -0.000138 -0.000166 -0.000330 29O 1px -0.000039 -0.000014 0.000824 0.000099 0.000429 0.000993 29O 1py -0.000006 0.000068 0.000212 0.000057 0.000018 0.000224 29O 2pz -0.000162 -0.000044 -0.000355 -0.000214 -0.000231 -0.000523 29O 2px -0.000112 0.000115 0.001272 0.000150 0.000578 0.001584 29O 2py -0.000020 0.000301 0.000622 0.000172 0.000045 0.000493 29O 3pz 0.000166 0.000106 -0.000117 0.000001 -0.000088 0.000213 29O 3px 0.000144 -0.000350 0.000663 0.000128 0.000540 -0.000440 29O 3py 0.000024 -0.000509 0.000781 0.000085 0.000667 0.000193 29O 1dz2 0.000006 0.000004 0.000012 0.000007 0.000006 0.000029 29O 1dxz -0.000011 0.000004 0.000018 -0.000004 0.000003 0.000046 29O 1dyz -0.000007 -0.000003 -0.000000 -0.000006 0.000000 0.000005 29O 1dx2y2 -0.000004 -0.000009 -0.000009 -0.000007 0.000002 -0.000061 29O 1dxy -0.000003 0.000007 -0.000000 -0.000000 -0.000007 -0.000017 29O 2dz2 -0.000120 -0.000009 0.000182 -0.000087 0.000041 0.000139 29O 2dxz 0.000176 -0.000018 0.000229 0.000210 0.000215 0.000243 29O 2dyz 0.000059 0.000064 0.000084 0.000084 -0.000003 0.000066 29O 2dx2y2 0.000077 0.000088 -0.000542 0.000004 -0.000347 -0.000432 29O 2dxy 0.000037 -0.000177 -0.000243 -0.000068 0.000083 -0.000155 29O 1f0 0.000015 -0.000003 0.000053 0.000023 0.000037 0.000054 29O 1f+1 0.000026 0.000003 -0.000037 0.000024 -0.000009 -0.000029 29O 1f-1 0.000012 0.000000 0.000035 0.000016 0.000026 0.000029 29O 1f+2 -0.000017 0.000014 -0.000052 -0.000025 -0.000050 -0.000062 29O 1f-2 -0.000019 -0.000020 0.000007 -0.000022 0.000019 0.000003 29O 1f+3 0.000008 0.000023 -0.000078 0.000003 -0.000061 -0.000076 29O 1f-3 0.000014 -0.000039 -0.000051 -0.000009 0.000020 -0.000031 30O 1s -0.000678 -0.001090 0.000111 0.000899 -0.000686 0.000049 30O 2s -0.001562 -0.002515 0.000256 0.002072 -0.001581 0.000115 30O 3s 0.001795 0.002906 -0.000235 -0.002342 0.001827 -0.000157 30O 4s 0.003521 0.005570 -0.000801 -0.004572 0.003308 0.000074 30O 5s -0.000591 0.000425 -0.000856 -0.001621 0.001442 -0.001746 30O 1pz 0.000626 0.001572 -0.000432 -0.001110 0.001018 0.000055 30O 1px 0.000645 0.001124 0.000236 -0.000696 0.000823 -0.000329 30O 1py -0.001608 -0.002219 0.000307 0.002091 -0.001308 0.000002 30O 2pz 0.000493 0.001828 -0.000332 -0.000973 0.001260 0.000031 30O 2px 0.000367 0.000831 0.000040 -0.000945 0.000997 -0.000670 30O 2py -0.001877 -0.002176 -0.000006 0.002246 -0.001363 0.000119 30O 3pz 0.000412 -0.001117 0.000159 0.000156 -0.000272 -0.000086 30O 3px 0.000440 0.001122 -0.000501 -0.000730 0.000563 -0.000249 30O 3py 0.000597 0.000437 -0.000170 -0.000160 0.000015 0.000206 30O 1dz2 -0.000047 -0.000021 -0.000022 0.000020 -0.000015 0.000006 30O 1dxz 0.000028 0.000090 -0.000004 -0.000056 0.000043 -0.000009 30O 1dyz -0.000116 -0.000218 0.000043 0.000173 -0.000121 -0.000007 30O 1dx2y2 -0.000096 -0.000122 0.000056 0.000129 -0.000068 -0.000009 30O 1dxy -0.000093 -0.000137 -0.000006 0.000091 -0.000084 0.000016 30O 2dz2 -0.000307 0.000054 -0.000168 0.000325 0.000075 0.000142 30O 2dxz 0.000037 0.000175 0.000122 -0.000014 0.000343 -0.000196 30O 2dyz -0.000252 -0.000712 0.000297 0.000525 -0.000526 -0.000050 30O 2dx2y2 -0.000435 -0.000287 -0.000040 0.000472 -0.000056 -0.000151 30O 2dxy -0.000179 -0.000223 -0.000295 0.000269 -0.000353 0.000366 30O 1f0 -0.000054 -0.000056 -0.000012 0.000059 -0.000036 0.000013 30O 1f+1 -0.000031 0.000029 -0.000023 0.000010 0.000024 0.000009 30O 1f-1 0.000048 -0.000084 0.000072 -0.000019 -0.000068 -0.000025 30O 1f+2 -0.000077 -0.000124 0.000054 0.000109 -0.000047 -0.000029 30O 1f-2 -0.000021 -0.000098 -0.000005 0.000054 -0.000098 0.000053 30O 1f+3 0.000062 0.000054 0.000041 -0.000070 0.000059 -0.000052 30O 1f-3 -0.000065 -0.000038 0.000041 0.000073 0.000017 -0.000043 31O 1s 0.000625 0.001004 0.000151 0.000986 -0.000741 -0.000051 31O 2s 0.001440 0.002317 0.000348 0.002272 -0.001708 -0.000119 31O 3s -0.001657 -0.002683 -0.000344 -0.002574 0.001974 0.000163 31O 4s -0.003256 -0.005129 -0.000988 -0.005014 0.003592 -0.000071 31O 5s 0.000658 -0.000185 -0.000888 -0.001568 0.001472 0.001765 31O 1pz 0.000577 0.001434 0.000501 0.001207 -0.001106 0.000057 31O 1px 0.000598 0.001057 -0.000187 0.000783 -0.000879 -0.000340 31O 1py -0.001481 -0.002037 -0.000377 -0.002285 0.001416 0.000002 31O 2pz 0.000457 0.001684 0.000424 0.001068 -0.001366 0.000030 31O 2px 0.000312 0.000732 0.000002 0.000998 -0.001036 -0.000680 31O 2py -0.001726 -0.002007 -0.000055 -0.002460 0.001461 0.000123 31O 3pz 0.000416 -0.001071 -0.000233 -0.000149 0.000357 -0.000084 31O 3px 0.000407 0.001011 0.000538 0.000791 -0.000626 -0.000251 31O 3py 0.000585 0.000411 0.000158 0.000209 -0.000032 0.000205 31O 1dz2 0.000044 0.000021 -0.000022 0.000025 -0.000016 -0.000007 31O 1dxz -0.000025 -0.000085 -0.000009 -0.000061 0.000049 0.000009 31O 1dyz 0.000106 0.000201 0.000052 0.000189 -0.000133 0.000008 31O 1dx2y2 0.000089 0.000109 0.000059 0.000141 -0.000073 0.000009 31O 1dxy 0.000087 0.000129 -0.000002 0.000102 -0.000091 -0.000017 31O 2dz2 0.000272 -0.000049 -0.000182 0.000347 0.000086 -0.000144 31O 2dxz -0.000039 -0.000159 0.000108 -0.000024 0.000351 0.000200 31O 2dyz 0.000233 0.000637 0.000327 0.000565 -0.000567 0.000051 31O 2dx2y2 0.000396 0.000270 -0.000041 0.000515 -0.000066 0.000153 31O 2dxy 0.000153 0.000209 -0.000280 0.000291 -0.000360 -0.000373 31O 1f0 -0.000050 -0.000053 0.000010 -0.000065 0.000039 0.000014 31O 1f+1 -0.000028 0.000026 0.000026 -0.000011 -0.000026 0.000009 31O 1f-1 0.000042 -0.000075 -0.000078 0.000021 0.000074 -0.000026 31O 1f+2 -0.000071 -0.000114 -0.000058 -0.000119 0.000054 -0.000030 31O 1f-2 -0.000019 -0.000089 -0.000001 -0.000059 0.000103 0.000054 31O 1f+3 0.000056 0.000050 -0.000040 0.000077 -0.000061 -0.000053 31O 1f-3 -0.000060 -0.000035 -0.000040 -0.000079 -0.000015 -0.000045 32O 1s 0.000015 -0.000028 0.000386 0.000065 0.000191 -0.000449 32O 2s 0.000033 -0.000067 0.000875 0.000149 0.000430 -0.001004 32O 3s -0.000030 0.000098 -0.000811 -0.000152 -0.000360 0.000754 32O 4s -0.000077 0.000058 -0.001778 -0.000252 -0.000994 0.003242 32O 5s 0.000023 0.000092 -0.002332 -0.000513 -0.001097 -0.000759 32O 1pz -0.000087 -0.000011 0.000251 0.000132 0.000169 -0.000324 32O 1px -0.000055 0.000012 -0.000838 -0.000106 -0.000440 0.000972 32O 1py -0.000011 0.000082 -0.000212 -0.000056 -0.000025 0.000220 32O 2pz -0.000169 -0.000058 0.000374 0.000203 0.000238 -0.000517 32O 2px -0.000138 0.000158 -0.001280 -0.000161 -0.000606 0.001551 32O 2py -0.000026 0.000343 -0.000611 -0.000168 -0.000072 0.000483 32O 3pz 0.000171 0.000114 0.000126 0.000014 0.000096 0.000208 32O 3px 0.000130 -0.000337 -0.000687 -0.000121 -0.000508 -0.000446 32O 3py 0.000012 -0.000497 -0.000823 -0.000102 -0.000637 0.000180 32O 1dz2 -0.000006 -0.000004 0.000012 0.000006 0.000007 -0.000029 32O 1dxz 0.000012 -0.000005 0.000018 -0.000003 0.000004 -0.000045 32O 1dyz 0.000007 0.000003 0.000000 -0.000005 0.000000 -0.000005 32O 1dx2y2 0.000004 0.000010 -0.000009 -0.000006 0.000001 0.000060 32O 1dxy 0.000003 -0.000007 -0.000001 -0.000001 -0.000007 0.000017 32O 2dz2 0.000135 0.000005 0.000179 -0.000078 0.000044 -0.000135 32O 2dxz -0.000185 0.000012 0.000241 0.000196 0.000212 -0.000237 32O 2dyz -0.000063 -0.000070 0.000078 0.000076 -0.000002 -0.000061 32O 2dx2y2 -0.000091 -0.000077 -0.000552 -0.000008 -0.000349 0.000421 32O 2dxy -0.000045 0.000198 -0.000235 -0.000065 0.000066 0.000153 32O 1f0 0.000015 -0.000001 -0.000052 -0.000021 -0.000036 0.000051 32O 1f+1 0.000030 0.000002 0.000038 -0.000021 0.000011 -0.000029 32O 1f-1 0.000013 0.000001 -0.000037 -0.000016 -0.000027 0.000029 32O 1f+2 -0.000017 0.000012 0.000057 0.000025 0.000050 -0.000062 32O 1f-2 -0.000020 -0.000021 -0.000008 0.000019 -0.000018 0.000003 32O 1f+3 0.000010 0.000022 0.000079 -0.000001 0.000060 -0.000073 32O 1f-3 0.000015 -0.000044 0.000049 0.000009 -0.000016 -0.000031 33O 1s 0.000982 -0.000606 -0.000649 0.000686 0.000780 -0.000023 33O 2s 0.002261 -0.001399 -0.001499 0.001581 0.001798 -0.000056 33O 3s -0.002569 0.001638 0.001792 -0.001773 -0.002023 0.000116 33O 4s -0.005178 0.003052 0.002851 -0.003491 -0.004038 -0.000302 33O 5s -0.000107 -0.000284 0.001829 -0.001834 -0.001654 0.001725 33O 1pz 0.001989 -0.001427 -0.001280 0.001402 0.001911 0.000088 33O 1px 0.000540 -0.000452 -0.000665 0.000173 0.000231 -0.000301 33O 1py 0.001650 -0.000718 -0.000973 0.001266 0.001040 -0.000061 33O 2pz 0.001974 -0.001569 -0.001454 0.001292 0.001905 0.000006 33O 2px 0.000214 -0.000329 -0.000738 0.000259 0.000512 -0.000576 33O 2py 0.001751 -0.000443 -0.001078 0.001553 0.000943 -0.000235 33O 3pz -0.000417 0.000370 -0.000455 -0.000292 -0.000436 -0.000255 33O 3px 0.001196 -0.000179 -0.000440 0.000911 0.000794 -0.000173 33O 3py -0.000411 -0.000700 -0.000341 -0.000023 0.000182 -0.000239 33O 1dz2 -0.000112 0.000100 0.000058 -0.000090 -0.000129 -0.000012 33O 1dxz -0.000065 0.000055 0.000051 -0.000036 -0.000036 0.000014 33O 1dyz -0.000215 0.000120 0.000118 -0.000145 -0.000163 -0.000005 33O 1dx2y2 0.000076 -0.000017 -0.000024 0.000053 0.000062 0.000003 33O 1dxy -0.000060 0.000032 0.000052 -0.000018 -0.000021 0.000010 33O 2dz2 -0.000252 0.000456 0.000254 -0.000037 -0.000586 -0.000147 33O 2dxz 0.000051 0.000110 0.000394 0.000162 0.000026 0.000351 33O 2dyz -0.000676 0.000244 0.000473 -0.000659 -0.000462 0.000083 33O 2dx2y2 0.000208 0.000035 -0.000121 0.000291 -0.000092 -0.000011 33O 2dxy -0.000026 0.000078 0.000252 -0.000062 -0.000014 0.000283 33O 1f0 0.000005 -0.000082 -0.000005 -0.000036 0.000097 0.000034 33O 1f+1 0.000015 -0.000051 -0.000069 -0.000002 0.000041 -0.000044 33O 1f-1 0.000126 -0.000096 -0.000077 0.000084 0.000125 0.000003 33O 1f+2 -0.000117 0.000010 0.000034 -0.000119 -0.000047 0.000000 33O 1f-2 0.000026 -0.000028 -0.000086 0.000003 0.000016 -0.000068 33O 1f+3 0.000001 0.000002 -0.000031 0.000001 -0.000017 -0.000030 33O 1f-3 0.000031 0.000017 0.000001 0.000037 0.000002 0.000007 34O 1s 0.000667 0.001080 -0.000244 -0.000910 0.000604 0.000030 34O 2s 0.001537 0.002490 -0.000566 -0.002097 0.001390 0.000072 34O 3s -0.001736 -0.002875 0.000727 0.002374 -0.001544 -0.000125 34O 4s -0.003547 -0.005498 0.000862 0.004571 -0.003173 0.000215 34O 5s -0.000520 0.000081 0.000670 0.002600 -0.001479 -0.001597 34O 1pz 0.000697 0.001681 -0.000527 -0.001132 0.000961 0.000103 34O 1px 0.000393 0.000719 0.000169 -0.000647 0.000738 -0.000288 34O 1py -0.001633 -0.002266 0.000467 0.002103 -0.001210 -0.000081 34O 2pz 0.000402 0.001729 -0.000712 -0.001154 0.001198 0.000306 34O 2px 0.000489 0.001089 0.000030 -0.000422 0.000522 -0.000464 34O 2py -0.001773 -0.002123 0.000542 0.002364 -0.001143 -0.000307 34O 3pz 0.000659 -0.000174 -0.000216 -0.000377 0.000032 0.000127 34O 3px -0.001049 -0.000836 -0.000334 0.001008 -0.000711 -0.000111 34O 3py 0.000716 -0.000372 0.000366 0.000065 -0.000077 -0.000156 34O 1dz2 0.000041 0.000007 -0.000001 -0.000023 0.000013 -0.000006 34O 1dxz -0.000035 -0.000068 -0.000006 0.000058 -0.000064 0.000005 34O 1dyz 0.000122 0.000228 -0.000055 -0.000166 0.000110 0.000007 34O 1dx2y2 0.000112 0.000135 -0.000025 -0.000118 0.000075 0.000008 34O 1dxy 0.000065 0.000112 0.000011 -0.000102 0.000089 -0.000014 34O 2dz2 0.000350 0.000021 0.000262 -0.000364 -0.000035 -0.000094 34O 2dxz -0.000015 -0.000345 0.000043 0.000107 -0.000260 0.000160 34O 2dyz 0.000206 0.000633 -0.000356 -0.000518 0.000451 0.000223 34O 2dx2y2 0.000293 0.000202 -0.000235 -0.000440 -0.000117 0.000242 34O 2dxy 0.000338 0.000412 0.000115 -0.000372 0.000375 -0.000277 34O 1f0 -0.000063 -0.000071 0.000011 0.000073 -0.000037 -0.000009 34O 1f+1 -0.000015 0.000042 -0.000023 -0.000006 0.000038 0.000011 34O 1f-1 0.000058 -0.000068 0.000070 -0.000022 -0.000062 -0.000029 34O 1f+2 -0.000056 -0.000091 0.000061 0.000096 -0.000027 -0.000055 34O 1f-2 -0.000034 -0.000111 0.000006 0.000055 -0.000092 0.000026 34O 1f+3 0.000075 0.000088 0.000028 -0.000088 0.000065 -0.000026 34O 1f-3 -0.000053 -0.000006 0.000040 0.000066 0.000026 -0.000059 35O 1s 0.001105 -0.000689 0.000447 -0.000670 -0.000810 0.000058 35O 2s 0.002550 -0.001588 0.001032 -0.001543 -0.001868 0.000133 35O 3s -0.002960 0.001826 -0.001141 0.001769 0.002140 -0.000168 35O 4s -0.005597 0.003518 -0.002428 0.003311 0.003971 0.000017 35O 5s 0.000370 0.000566 -0.001002 0.000964 0.001865 -0.001778 35O 1pz 0.002369 -0.001690 0.000969 -0.001365 -0.001914 0.000174 35O 1px 0.000201 -0.000270 0.000584 -0.000108 -0.000159 -0.000296 35O 1py 0.001787 -0.000769 0.000766 -0.001205 -0.001027 -0.000009 35O 2pz 0.002213 -0.001807 0.000937 -0.001427 -0.002249 0.000473 35O 2px 0.000537 -0.000537 0.000307 0.000033 -0.000107 -0.000527 35O 2py 0.002062 -0.000598 0.000586 -0.001479 -0.001022 0.000095 35O 3pz 0.000207 0.000507 0.000227 -0.000089 -0.000127 0.000157 35O 3px -0.000698 0.001242 -0.000505 0.000370 0.000727 -0.000224 35O 3py -0.000776 -0.000134 -0.000143 0.000228 0.000081 0.000005 35O 1dz2 -0.000135 0.000128 -0.000050 0.000080 0.000111 -0.000013 35O 1dxz -0.000045 0.000041 -0.000075 0.000033 0.000037 0.000014 35O 1dyz -0.000247 0.000132 -0.000102 0.000136 0.000157 -0.000003 35O 1dx2y2 0.000074 -0.000030 0.000044 -0.000046 -0.000040 0.000004 35O 1dxy -0.000038 0.000033 -0.000041 0.000031 0.000025 0.000014 35O 2dz2 -0.000206 0.000412 -0.000030 0.000015 0.000610 -0.000246 35O 2dxz -0.000167 0.000291 -0.000290 -0.000037 0.000111 0.000309 35O 2dyz -0.000731 0.000307 -0.000261 0.000644 0.000513 -0.000123 35O 2dx2y2 0.000305 0.000106 -0.000092 -0.000305 -0.000035 0.000024 35O 2dxy -0.000202 0.000144 -0.000342 0.000050 0.000073 0.000219 35O 1f0 -0.000034 -0.000072 -0.000014 0.000045 -0.000077 0.000040 35O 1f+1 0.000045 -0.000074 0.000075 -0.000002 -0.000045 -0.000033 35O 1f-1 0.000136 -0.000101 0.000044 -0.000082 -0.000132 0.000045 35O 1f+2 -0.000103 -0.000001 -0.000009 0.000100 0.000034 -0.000023 35O 1f-2 0.000061 -0.000058 0.000083 -0.000009 -0.000023 -0.000055 35O 1f+3 0.000028 -0.000023 0.000036 -0.000016 -0.000000 -0.000022 35O 1f-3 0.000040 0.000012 0.000006 -0.000043 -0.000009 0.000016 54 55 56 57 58 59 -1.05653 -1.05137 -1.05121 -1.05113 -1.00999 -1.00995 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s 0.001697 -0.000005 0.000038 0.000011 0.000596 -0.000291 0Rh 2s -0.006581 0.000024 -0.000151 -0.000049 -0.002143 0.001183 0Rh 3s 0.005676 -0.000015 0.000126 0.000036 0.002098 -0.000942 0Rh 4s 0.026845 -0.000099 0.000615 0.000202 0.008665 -0.004870 0Rh 5s -0.020171 0.000102 -0.000479 -0.000183 -0.005285 0.004069 0Rh 6s -0.034611 0.000038 -0.000741 -0.000156 -0.015312 0.004894 0Rh 7s 0.026230 -0.000210 0.000363 0.000072 0.023456 -0.002897 0Rh 8s 0.004240 0.001086 0.000280 -0.000362 0.008210 0.002353 0Rh 1pz -0.000422 -0.006320 0.001512 -0.003719 0.001154 -0.000632 0Rh 1px 0.001746 -0.001203 0.000497 -0.002377 -0.003402 0.001781 0Rh 1py 0.000410 -0.004265 0.000156 0.006430 -0.000406 0.000119 0Rh 2pz 0.001416 0.021076 -0.005039 0.012402 -0.003846 0.002099 0Rh 2px -0.005849 0.004011 -0.001657 0.007927 0.011339 -0.005907 0Rh 2py -0.001372 0.014221 -0.000519 -0.021441 0.001351 -0.000392 0Rh 3pz -0.001200 -0.015633 0.003710 -0.009202 0.002773 -0.001362 0Rh 3px 0.004840 -0.002978 0.001240 -0.005870 -0.008219 0.003802 0Rh 3py 0.001124 -0.010560 0.000385 0.015907 -0.000966 0.000203 0Rh 4pz -0.001127 -0.024871 0.006034 -0.014626 0.004815 -0.003098 0Rh 4px 0.005076 -0.004725 0.001914 -0.009383 -0.014047 0.008816 0Rh 4py 0.001245 -0.016740 0.000611 0.025290 -0.001748 0.000742 0Rh 5pz -0.001046 -0.000933 0.000106 -0.000566 -0.000088 0.000415 0Rh 5px 0.003506 -0.000171 0.000156 -0.000302 0.000152 -0.001258 0Rh 5py 0.000672 -0.000693 0.000040 0.000968 0.000381 -0.000286 0Rh 6pz 0.003894 -0.002684 0.000960 -0.001180 0.003806 0.004133 0Rh 6px -0.010201 -0.000358 -0.000190 -0.001534 -0.014914 -0.011529 0Rh 6py -0.001254 -0.001322 0.000116 0.002357 -0.008274 0.000923 0Rh 1dz2 -0.001443 -0.000147 0.002782 -0.000155 0.000921 -0.000704 0Rh 1dxz -0.001853 0.001159 -0.000563 0.000570 0.001455 -0.001056 0Rh 1dyz -0.000497 0.001323 0.006411 0.001221 0.000146 -0.000136 0Rh 1dx2y2 0.002756 0.000293 0.000952 0.000838 -0.002096 0.001540 0Rh 1dxy 0.001007 0.001445 0.002499 -0.000958 -0.000424 0.000386 0Rh 2dz2 0.000030 -0.000007 -0.000033 -0.000005 0.000058 -0.000006 0Rh 2dxz 0.000035 0.000002 -0.000002 -0.000001 0.000081 -0.000012 0Rh 2dyz 0.000007 -0.000023 -0.000092 -0.000007 0.000006 0.000003 0Rh 2dx2y2 -0.000050 -0.000006 -0.000019 0.000003 -0.000119 0.000017 0Rh 2dxy -0.000015 -0.000005 -0.000038 -0.000010 -0.000027 -0.000009 0Rh 3dz2 0.001746 0.000220 -0.003484 0.000218 -0.001440 0.000946 0Rh 3dxz 0.002261 -0.001515 0.000739 -0.000741 -0.002242 0.001440 0Rh 3dyz 0.000615 -0.001630 -0.007968 -0.001560 -0.000218 0.000166 0Rh 3dx2y2 -0.003361 -0.000356 -0.001165 -0.001099 0.003233 -0.002090 0Rh 3dxy -0.001244 -0.001857 -0.003099 0.001285 0.000665 -0.000473 0Rh 4dz2 0.003011 0.000228 -0.005668 0.000269 -0.001004 0.001284 0Rh 4dxz 0.003841 -0.002232 0.001063 -0.001112 -0.001696 0.001870 0Rh 4dyz 0.001014 -0.002771 -0.013191 -0.002436 -0.000177 0.000296 0Rh 4dx2y2 -0.005704 -0.000632 -0.001998 -0.001607 0.002415 -0.002748 0Rh 4dxy -0.002038 -0.002858 -0.005165 0.001779 0.000416 -0.000829 0Rh 5dz2 0.002893 0.000502 -0.005030 0.000433 -0.004910 0.001111 0Rh 5dxz 0.003754 -0.002443 0.001242 -0.001193 -0.007363 0.001937 0Rh 5dyz 0.000953 -0.002095 -0.011285 -0.002291 -0.000801 0.000075 0Rh 5dx2y2 -0.005632 -0.000424 -0.001599 -0.001747 0.010767 -0.002734 0Rh 5dxy -0.002181 -0.002772 -0.004330 0.002199 0.002689 -0.000215 0Rh 1f0 0.000299 0.000148 -0.000143 -0.001283 0.000446 -0.000288 0Rh 1f+1 -0.000260 0.000418 0.000254 0.000001 -0.000308 0.000214 0Rh 1f-1 -0.000073 0.001981 -0.000696 -0.000439 -0.000046 0.000053 0Rh 1f+2 -0.000366 -0.001102 0.000103 -0.001407 -0.000637 0.000422 0Rh 1f-2 -0.000175 0.000838 0.000699 -0.001088 -0.000146 0.000119 0Rh 1f+3 -0.000463 0.000318 -0.000253 0.001009 -0.000751 0.000492 0Rh 1f-3 -0.000265 0.000007 -0.000406 -0.000458 -0.000242 0.000182 1Rh 1s 0.001697 0.000041 0.000029 0.000002 -0.000373 -0.000549 1Rh 2s -0.006581 -0.000163 -0.000116 -0.000004 0.001276 0.002092 1Rh 3s 0.005675 0.000134 0.000098 0.000010 -0.001357 -0.001860 1Rh 4s 0.026845 0.000667 0.000473 0.000016 -0.005116 -0.008534 1Rh 5s -0.020171 -0.000533 -0.000366 0.000016 0.002575 0.006159 1Rh 6s -0.034609 -0.000759 -0.000576 -0.000114 0.010882 0.011858 1Rh 7s 0.026226 0.000677 0.000179 0.000082 -0.018980 -0.014175 1Rh 8s 0.004257 -0.000852 0.000612 0.000475 -0.008287 -0.002021 1Rh 1pz 0.000520 -0.006274 0.001721 -0.003695 0.000684 0.001117 1Rh 1px -0.001720 -0.001232 0.000463 -0.002387 -0.002073 -0.003237 1Rh 1py -0.000381 -0.004257 0.000232 0.006433 -0.000294 -0.000306 1Rh 2pz -0.001740 0.020921 -0.005740 0.012323 -0.002285 -0.003714 1Rh 2px 0.005762 0.004110 -0.001542 0.007959 0.006924 0.010763 1Rh 2py 0.001275 0.014196 -0.000773 -0.021453 0.000983 0.001016 1Rh 3pz 0.001441 -0.015507 0.004282 -0.009137 0.001722 0.002550 1Rh 3px -0.004774 -0.003063 0.001134 -0.005898 -0.005257 -0.007385 1Rh 3py -0.001051 -0.010542 0.000578 0.015916 -0.000741 -0.000659 1Rh 4pz 0.001508 -0.024729 0.006694 -0.014554 0.002624 0.005048 1Rh 4px -0.004977 -0.004804 0.001856 -0.009408 -0.007836 -0.014636 1Rh 4py -0.001131 -0.016709 0.000900 0.025308 -0.001156 -0.001517 1Rh 5pz 0.001066 -0.000868 0.000359 -0.000532 0.000136 -0.000389 1Rh 5px -0.003497 -0.000249 -0.000012 -0.000330 -0.000492 0.001168 1Rh 5py -0.000666 -0.000699 0.000041 0.000961 0.000190 0.000434 1Rh 6pz -0.003880 -0.002864 0.000371 -0.001250 0.005198 -0.001846 1Rh 6px 0.010203 -0.000076 0.000597 -0.001415 -0.018684 0.002642 1Rh 6py 0.001277 -0.001364 -0.000079 0.002325 -0.006708 -0.004848 1Rh 1dz2 -0.001455 0.001160 0.002440 0.000678 -0.000454 -0.001074 1Rh 1dxz -0.001838 -0.001284 0.000040 -0.000630 -0.000738 -0.001635 1Rh 1dyz -0.000497 0.001223 0.006550 0.000083 -0.000059 -0.000190 1Rh 1dx2y2 0.002763 0.000155 0.001124 -0.000617 0.001061 0.002383 1Rh 1dxy 0.001014 -0.000421 0.002623 0.001480 0.000178 0.000549 1Rh 2dz2 0.000030 -0.000005 -0.000034 -0.000002 -0.000047 -0.000033 1Rh 2dxz 0.000035 -0.000002 -0.000002 0.000000 -0.000064 -0.000051 1Rh 2dyz 0.000007 -0.000014 -0.000093 -0.000012 -0.000007 -0.000000 1Rh 2dx2y2 -0.000049 -0.000002 -0.000019 -0.000007 0.000095 0.000074 1Rh 2dxy -0.000015 -0.000010 -0.000038 0.000002 0.000028 0.000006 1Rh 3dz2 0.001763 -0.001486 -0.003038 -0.000871 0.000786 0.001544 1Rh 3dxz 0.002241 0.001680 -0.000048 0.000819 0.001229 0.002358 1Rh 3dyz 0.000615 -0.001536 -0.008144 -0.000062 0.000107 0.000251 1Rh 3dx2y2 -0.003371 -0.000196 -0.001389 0.000827 -0.001777 -0.003427 1Rh 3dxy -0.001254 0.000587 -0.003259 -0.001932 -0.000345 -0.000746 1Rh 4dz2 0.003036 -0.002299 -0.005010 -0.001336 0.000240 0.001627 1Rh 4dxz 0.003812 0.002469 -0.000102 0.001224 0.000545 0.002457 1Rh 4dyz 0.001014 -0.002471 -0.013481 -0.000249 0.000007 0.000344 1Rh 4dx2y2 -0.005720 -0.000303 -0.002337 0.001146 -0.000741 -0.003598 1Rh 4dxy -0.002053 0.000745 -0.005414 -0.002856 0.000046 -0.000933 1Rh 5dz2 0.002913 -0.002304 -0.004292 -0.001369 0.003730 0.003416 1Rh 5dxz 0.003716 0.002730 -0.000030 0.001328 0.005418 0.005331 1Rh 5dyz 0.000952 -0.002366 -0.011463 0.000001 0.000661 0.000460 1Rh 5dx2y2 -0.005637 -0.000353 -0.001926 0.001366 -0.008005 -0.007734 1Rh 5dxy -0.002194 0.000995 -0.004535 -0.003104 -0.002231 -0.001534 1Rh 1f0 -0.000298 0.000236 0.000322 -0.001237 0.000244 0.000470 1Rh 1f+1 0.000254 0.000294 -0.000388 -0.000063 -0.000164 -0.000343 1Rh 1f-1 0.000050 0.002114 -0.000029 -0.000372 -0.000015 -0.000071 1Rh 1f+2 0.000384 -0.001001 0.000592 -0.001356 -0.000343 -0.000679 1Rh 1f-2 0.000170 0.000557 -0.000740 -0.001233 -0.000067 -0.000175 1Rh 1f+3 0.000455 0.000358 -0.000086 0.001027 -0.000409 -0.000801 1Rh 1f-3 0.000266 0.000179 0.000452 -0.000370 -0.000121 -0.000280 2C 1s -0.004723 0.007454 0.003250 0.000232 0.000080 -0.000131 2C 2s -0.009835 0.015532 0.006771 0.000483 0.000168 -0.000283 2C 3s 0.014563 -0.023795 -0.010097 -0.000698 -0.000277 0.000836 2C 4s 0.011270 -0.011768 -0.006950 -0.000640 -0.000179 -0.001518 2C 5s -0.025636 0.011896 -0.010344 -0.000516 -0.001907 0.005361 2C 1pz 0.007602 -0.011920 -0.005158 -0.000371 -0.000150 0.000234 2C 1px 0.001510 -0.002329 -0.001039 -0.000078 0.000105 0.000056 2C 1py 0.005113 -0.008022 -0.003460 -0.000238 -0.000060 0.000154 2C 2pz 0.002232 -0.001565 -0.001567 0.000081 -0.000320 -0.000344 2C 2px 0.000326 -0.000523 -0.000011 0.000162 -0.000196 -0.000345 2C 2py 0.001306 -0.000684 -0.000954 -0.000529 -0.000193 -0.000251 2C 3pz -0.005439 0.001422 -0.003021 -0.000703 -0.000541 0.000645 2C 3px -0.000004 0.000395 -0.001772 -0.000567 0.001013 0.000205 2C 3py -0.003827 0.000887 -0.001923 0.000728 -0.000081 0.000637 2C 1dz2 0.000333 -0.000463 -0.000223 0.000003 -0.000004 0.000009 2C 1dxz 0.000098 -0.000133 -0.000052 -0.000003 -0.000004 -0.000008 2C 1dyz 0.000572 -0.000799 -0.000398 -0.000041 -0.000013 0.000004 2C 1dx2y2 -0.000099 0.000132 0.000040 0.000015 0.000004 -0.000001 2C 1dxy 0.000130 -0.000181 -0.000102 0.000007 -0.000002 -0.000003 2C 2dz2 -0.000026 0.000503 0.000107 0.000083 -0.000134 -0.000116 2C 2dxz -0.000030 0.000422 -0.000182 -0.000015 0.000054 0.000038 2C 2dyz -0.000010 0.000533 0.000313 -0.000051 -0.000124 -0.000259 2C 2dx2y2 0.000258 -0.000654 -0.000029 0.000060 -0.000036 -0.000067 2C 2dxy 0.000280 -0.000362 -0.000109 0.000019 0.000049 -0.000091 2C 1f0 -0.000059 0.000122 0.000048 0.000041 -0.000009 -0.000003 2C 1f+1 -0.000278 0.000475 0.000198 0.000038 -0.000013 -0.000017 2C 1f-1 0.000178 -0.000112 -0.000079 -0.000006 0.000006 -0.000042 2C 1f+2 0.000061 -0.000152 -0.000066 0.000026 -0.000002 0.000029 2C 1f-2 0.000111 -0.000135 -0.000089 -0.000007 0.000006 -0.000041 2C 1f+3 -0.000058 0.000143 0.000058 -0.000003 -0.000009 -0.000010 2C 1f-3 -0.000253 0.000405 0.000193 0.000001 -0.000007 -0.000000 3C 1s -0.004487 -0.000878 -0.005419 0.006208 0.000009 -0.000143 3C 2s -0.009341 -0.001828 -0.011288 0.012934 0.000024 -0.000307 3C 3s 0.013916 0.002703 0.017126 -0.020038 -0.000295 0.000791 3C 4s 0.010354 0.002070 0.009875 -0.008561 0.001244 -0.001135 3C 5s -0.024896 -0.000284 0.003730 0.015698 -0.001199 0.005164 3C 1pz 0.004303 0.000819 0.005131 -0.005956 -0.000055 0.000119 3C 1px 0.002720 0.000524 0.003248 -0.003719 0.000082 0.000152 3C 1py -0.007220 -0.001401 -0.008627 0.009921 0.000057 -0.000237 3C 2pz 0.001061 0.000742 0.000997 0.000061 0.000300 -0.000040 3C 2px 0.000612 0.000178 0.000454 -0.000321 0.000087 -0.000135 3C 2py -0.001820 -0.000171 -0.001615 0.000675 -0.000507 0.000313 3C 3pz -0.003947 -0.000988 0.000491 0.001186 -0.000187 0.000373 3C 3px -0.001343 0.000166 0.001363 0.001102 0.000588 0.000756 3C 3py 0.005083 -0.000780 -0.001972 -0.002782 0.000191 -0.000556 3C 1dz2 -0.000127 -0.000001 -0.000168 0.000147 0.000003 -0.000004 3C 1dxz 0.000119 0.000026 0.000118 -0.000142 0.000005 0.000006 3C 1dyz -0.000507 -0.000106 -0.000591 0.000604 -0.000004 -0.000005 3C 1dx2y2 -0.000267 -0.000045 -0.000286 0.000320 -0.000014 -0.000004 3C 1dxy -0.000261 -0.000053 -0.000294 0.000309 0.000003 -0.000007 3C 2dz2 -0.000248 0.000071 -0.000134 0.000247 -0.000060 0.000058 3C 2dxz -0.000114 0.000042 -0.000124 0.000415 0.000126 0.000049 3C 2dyz 0.000124 0.000017 0.000561 -0.000409 -0.000176 0.000257 3C 2dx2y2 0.000217 0.000034 0.000380 -0.000887 -0.000032 0.000077 3C 2dxy 0.000000 -0.000039 0.000157 -0.000449 -0.000109 -0.000022 3C 1f0 -0.000154 -0.000028 -0.000122 0.000103 -0.000010 0.000022 3C 1f+1 -0.000163 -0.000017 -0.000198 0.000206 0.000003 -0.000004 3C 1f-1 0.000027 -0.000032 0.000059 -0.000043 -0.000012 0.000010 3C 1f+2 -0.000194 -0.000043 -0.000194 0.000186 -0.000041 0.000040 3C 1f-2 0.000054 -0.000006 0.000102 -0.000135 -0.000015 0.000018 3C 1f+3 -0.000151 -0.000045 -0.000230 0.000290 0.000008 -0.000005 3C 1f-3 0.000229 0.000071 0.000312 -0.000361 -0.000009 0.000023 4C 1s -0.031549 0.048788 0.021276 0.001512 0.000450 -0.000744 4C 2s -0.066899 0.103480 0.045142 0.003210 0.000948 -0.001538 4C 3s 0.108146 -0.167266 -0.074063 -0.005355 -0.000727 0.000247 4C 4s 0.076507 -0.117392 -0.047053 -0.002822 -0.005905 0.014486 4C 5s 0.012566 -0.006108 0.006971 0.000697 -0.002734 0.000134 4C 1pz 0.028957 -0.044450 -0.019491 -0.001219 -0.001126 0.000544 4C 1px 0.005984 -0.009255 -0.004055 -0.000192 0.002373 0.000136 4C 1py 0.019863 -0.030500 -0.013329 -0.001210 0.000223 0.000384 4C 2pz 0.009408 -0.009837 -0.003679 -0.000139 -0.001330 0.002015 4C 2px 0.002187 -0.002247 -0.000804 0.000133 -0.000217 0.000546 4C 2py 0.006721 -0.007171 -0.002649 -0.000370 -0.000999 0.001407 4C 3pz -0.013202 0.008902 -0.008600 0.000342 -0.000886 0.002861 4C 3px -0.002391 0.001258 -0.001153 0.000685 -0.002754 0.001019 4C 3py -0.008480 0.005831 -0.005599 -0.001891 -0.001856 0.001913 4C 1dz2 -0.001530 0.002405 0.001020 -0.000001 -0.000106 -0.000080 4C 1dxz -0.003459 0.005325 0.002285 0.000129 0.000281 -0.000077 4C 1dyz 0.001911 -0.002798 -0.001238 -0.000048 -0.000059 0.000069 4C 1dx2y2 0.005628 -0.008648 -0.003699 -0.000318 -0.000084 0.000214 4C 1dxy 0.003031 -0.004610 -0.001983 -0.000142 0.000119 0.000121 4C 2dz2 0.000627 -0.001501 -0.000656 0.000662 0.000638 -0.000124 4C 2dxz -0.000633 0.000909 0.000103 0.000337 -0.000121 -0.001111 4C 2dyz 0.002600 -0.005285 -0.001808 -0.000493 0.000010 0.000542 4C 2dx2y2 0.001880 -0.002952 -0.000974 0.000533 -0.000803 0.001253 4C 2dxy 0.001625 -0.002956 -0.001034 -0.000001 -0.000830 0.000651 4C 1f0 -0.001316 0.002107 0.000826 0.000077 0.000046 -0.000163 4C 1f+1 -0.002707 0.004338 0.001716 0.000103 0.000165 -0.000273 4C 1f-1 -0.001352 0.002190 0.000857 0.000066 0.000037 -0.000081 4C 1f+2 0.002544 -0.004083 -0.001606 -0.000068 -0.000060 0.000292 4C 1f-2 -0.000445 0.000722 0.000283 0.000060 -0.000017 -0.000004 4C 1f+3 0.000094 -0.000146 -0.000047 -0.000042 0.000047 0.000071 4C 1f-3 -0.002242 0.003586 0.001413 0.000116 0.000170 -0.000227 5C 1s -0.029953 -0.005738 -0.035447 0.040568 0.000036 -0.000818 5C 2s -0.063506 -0.012172 -0.075186 0.086028 0.000060 -0.001696 5C 3s 0.102350 0.019940 0.122221 -0.138343 0.000539 0.000598 5C 4s 0.073887 0.012631 0.082685 -0.100345 -0.003515 0.014207 5C 5s 0.012754 -0.000552 -0.003681 -0.008608 0.001483 0.000628 5C 1pz 0.016703 0.003443 0.019601 -0.022423 -0.000667 0.000037 5C 1px 0.010698 0.002067 0.012618 -0.014410 0.002049 0.001279 5C 1py -0.027391 -0.005038 -0.032289 0.036783 0.000397 -0.000414 5C 2pz 0.005681 0.001127 0.004346 -0.005482 -0.000225 0.001230 5C 2px 0.003272 0.000033 0.002180 -0.002627 0.000296 0.001092 5C 2py -0.008920 -0.001112 -0.006559 0.008175 0.000112 -0.002107 5C 3pz -0.006971 0.001884 0.002289 0.006838 0.000393 0.002139 5C 3px -0.004665 0.000096 0.001239 0.004410 -0.001428 -0.000483 5C 3py 0.012294 0.000611 -0.004169 -0.011272 -0.000641 -0.003217 5C 1dz2 -0.003472 -0.000717 -0.004025 0.004657 -0.000066 -0.000160 5C 1dxz -0.003221 -0.000644 -0.003762 0.004368 0.000138 -0.000096 5C 1dyz -0.003010 -0.000522 -0.003448 0.003935 0.000111 -0.000078 5C 1dx2y2 0.004547 0.000799 0.005319 -0.006168 0.000096 0.000220 5C 1dxy 0.000906 0.000172 0.001086 -0.001286 -0.000218 -0.000056 5C 2dz2 -0.002089 0.000424 -0.002470 0.003147 0.000467 -0.000895 5C 2dxz -0.000724 0.000200 -0.000610 0.000903 -0.000289 -0.000695 5C 2dyz -0.002787 -0.000934 -0.003630 0.005046 -0.000004 -0.000811 5C 2dx2y2 0.000772 0.000496 0.000349 -0.000727 -0.000413 0.001112 5C 2dxy -0.000758 0.000035 -0.001206 0.001501 0.000661 0.000248 5C 1f0 -0.000384 -0.000091 -0.000437 0.000530 -0.000051 -0.000089 5C 1f+1 -0.001580 -0.000296 -0.001826 0.002249 0.000065 -0.000200 5C 1f-1 0.000242 -0.000014 0.000289 -0.000340 -0.000011 0.000012 5C 1f+2 0.000949 0.000217 0.001107 -0.001366 0.000030 0.000040 5C 1f-2 0.002223 0.000395 0.002593 -0.003185 -0.000005 0.000224 5C 1f+3 -0.002434 -0.000434 -0.002822 0.003467 0.000118 -0.000263 5C 1f-3 0.002557 0.000444 0.002957 -0.003624 -0.000033 0.000261 6C 1s -0.029776 -0.006853 -0.026406 -0.046920 0.000376 -0.000727 6C 2s -0.063129 -0.014534 -0.056015 -0.099502 0.000792 -0.001500 6C 3s 0.101739 0.023532 0.091403 0.160272 -0.000754 0.000240 6C 4s 0.073483 0.016513 0.060220 0.115066 -0.004103 0.014124 6C 5s 0.012789 -0.001065 -0.005257 0.007764 -0.001616 -0.000192 6C 1pz -0.016600 -0.003540 -0.014699 -0.025934 -0.000559 -0.000360 6C 1px -0.010638 -0.002420 -0.009416 -0.016678 0.002411 -0.000099 6C 1py 0.027229 0.006425 0.024018 0.042568 0.000138 0.000554 6C 2pz -0.005667 -0.000454 -0.003299 -0.006282 0.000437 -0.001188 6C 2px -0.003259 -0.000727 -0.001471 -0.003006 0.000767 -0.000775 6C 2py 0.008888 0.001235 0.004772 0.009354 -0.000974 0.001892 6C 3pz 0.006920 0.000719 -0.004135 0.006212 0.001523 -0.001697 6C 3px 0.004655 -0.000482 -0.002023 0.004101 -0.001484 -0.000288 6C 3py -0.012272 0.002387 0.005781 -0.010341 -0.002333 0.002514 6C 1dz2 -0.003452 -0.000716 -0.003012 -0.005379 0.000137 -0.000106 6C 1dxz -0.003206 -0.000694 -0.002806 -0.005048 -0.000071 -0.000153 6C 1dyz -0.002991 -0.000701 -0.002556 -0.004551 -0.000057 -0.000123 6C 1dx2y2 0.004520 0.001083 0.003923 0.007117 -0.000193 0.000143 6C 1dxy 0.000897 0.000211 0.000798 0.001476 0.000215 0.000059 6C 2dz2 -0.002067 -0.001226 -0.001469 -0.003552 0.000048 -0.001010 6C 2dxz -0.000718 -0.000389 -0.000306 -0.000999 0.000613 -0.000468 6C 2dyz -0.002777 -0.000345 -0.002665 -0.005697 0.000416 -0.000709 6C 2dx2y2 0.000785 -0.000347 0.000367 0.000810 -0.000208 0.001169 6C 2dxy -0.000753 -0.000439 -0.000789 -0.001710 -0.000703 -0.000102 6C 1f0 0.000381 0.000065 0.000327 0.000607 -0.000090 0.000053 6C 1f+1 0.001571 0.000347 0.001331 0.002575 -0.000044 0.000206 6C 1f-1 -0.000239 -0.000112 -0.000191 -0.000389 -0.000003 -0.000016 6C 1f+2 -0.000943 -0.000175 -0.000819 -0.001563 0.000046 -0.000020 6C 1f-2 -0.002210 -0.000516 -0.001882 -0.003647 0.000109 -0.000198 6C 1f+3 0.002418 0.000558 0.002047 0.003966 -0.000030 0.000287 6C 1f-3 -0.002542 -0.000596 -0.002144 -0.004149 0.000103 -0.000244 7C 1s -0.030994 -0.037499 0.038013 0.004343 -0.000024 -0.000867 7C 2s -0.065722 -0.079530 0.080641 0.009212 -0.000064 -0.001800 7C 3s 0.106227 0.128120 -0.131363 -0.014936 0.000501 0.000553 7C 4s 0.075249 0.091895 -0.087600 -0.010452 -0.001970 0.015570 7C 5s 0.012482 0.008445 0.004156 0.000430 0.002413 0.001500 7C 1pz -0.028412 -0.034086 0.034651 0.004125 -0.000703 -0.001027 7C 1px -0.005855 -0.007077 0.007179 0.000917 0.002111 0.001058 7C 1py -0.019568 -0.023489 0.023908 0.002469 0.000380 -0.000223 7C 2pz -0.009306 -0.007852 0.007101 0.000923 -0.000186 -0.002396 7C 2px -0.002174 -0.001823 0.001567 0.000367 0.000068 -0.000628 7C 2py -0.006662 -0.005734 0.005206 0.000404 -0.000196 -0.001737 7C 3pz 0.013029 0.011557 0.004385 0.001668 0.000610 -0.002980 7C 3px 0.002333 0.001556 0.000460 0.000851 -0.001941 -0.002324 7C 3py 0.008427 0.007651 0.003265 -0.000989 -0.000721 -0.002647 7C 1dz2 -0.001514 -0.001876 0.001847 0.000285 0.000131 -0.000019 7C 1dxz -0.003401 -0.004112 0.004112 0.000503 -0.000205 -0.000204 7C 1dyz 0.001885 0.002155 -0.002197 -0.000291 0.000018 0.000089 7C 1dx2y2 0.005526 0.006668 -0.006677 -0.000707 -0.000032 0.000227 7C 1dxy 0.002976 0.003550 -0.003563 -0.000405 -0.000161 0.000047 7C 2dz2 0.000587 0.001147 -0.001003 -0.000827 -0.000502 -0.000436 7C 2dxz -0.000634 -0.000813 0.000515 -0.000277 0.000639 -0.000906 7C 2dyz 0.002553 0.004240 -0.003737 -0.000057 -0.000281 0.000470 7C 2dx2y2 0.001851 0.002415 -0.001900 -0.000816 0.000099 0.001497 7C 2dxy 0.001603 0.002381 -0.002066 -0.000305 0.000400 0.000989 7C 1f0 0.001288 0.001648 -0.001555 -0.000157 -0.000040 0.000164 7C 1f+1 0.002652 0.003393 -0.003206 -0.000383 0.000011 0.000320 7C 1f-1 0.001328 0.001720 -0.001617 -0.000178 -0.000008 0.000090 7C 1f+2 -0.002502 -0.003211 0.003017 0.000388 0.000091 -0.000283 7C 1f-2 0.000440 0.000569 -0.000545 -0.000021 -0.000016 -0.000005 7C 1f+3 -0.000095 -0.000120 0.000109 -0.000026 0.000077 -0.000038 7C 1f-3 0.002210 0.002824 -0.002668 -0.000287 0.000037 0.000285 8C 1s -0.004460 -0.001046 -0.004037 -0.007179 0.000064 -0.000128 8C 2s -0.009285 -0.002179 -0.008407 -0.014956 0.000132 -0.000278 8C 3s 0.013829 0.003353 0.012651 0.023097 -0.000137 0.000834 8C 4s 0.010316 0.001597 0.008054 0.010401 -0.000520 -0.001610 8C 5s -0.024880 0.001941 0.006410 -0.014788 -0.001722 0.005149 8C 1pz -0.004277 -0.000999 -0.003802 -0.006872 0.000011 -0.000130 8C 1px -0.002704 -0.000630 -0.002419 -0.004300 0.000147 -0.000091 8C 1py 0.007177 0.001661 0.006420 0.011468 -0.000069 0.000234 8C 2pz -0.001065 0.000298 -0.001191 -0.000166 0.000244 0.000188 8C 2px -0.000610 -0.000000 -0.000411 -0.000416 0.000008 0.000165 8C 2py 0.001812 0.000445 0.001400 0.000979 -0.000286 -0.000522 8C 3pz 0.003955 -0.001093 -0.000326 0.001128 0.000044 -0.000426 8C 3px 0.001332 -0.000383 -0.001533 0.000835 0.000909 -0.000371 8C 3py -0.005085 0.000060 0.002630 -0.002334 -0.000151 0.000593 8C 1dz2 -0.000126 -0.000059 -0.000124 -0.000177 -0.000000 -0.000005 8C 1dxz 0.000119 0.000017 0.000089 0.000163 -0.000007 0.000003 8C 1dyz -0.000505 -0.000108 -0.000458 -0.000712 0.000005 -0.000002 8C 1dx2y2 -0.000266 -0.000057 -0.000215 -0.000372 0.000014 0.000004 8C 1dxy -0.000259 -0.000053 -0.000226 -0.000362 0.000001 -0.000007 8C 2dz2 -0.000244 -0.000109 -0.000046 -0.000264 0.000021 0.000079 8C 2dxz -0.000111 -0.000070 -0.000014 -0.000429 -0.000134 -0.000020 8C 2dyz 0.000122 0.000182 0.000435 0.000512 0.000021 0.000310 8C 2dx2y2 0.000217 0.000081 0.000188 0.000945 -0.000009 0.000085 8C 2dxy -0.000003 0.000078 0.000038 0.000468 0.000107 0.000037 8C 1f0 0.000153 0.000017 0.000101 0.000125 0.000002 -0.000025 8C 1f+1 0.000164 0.000054 0.000147 0.000245 0.000000 0.000005 8C 1f-1 -0.000026 -0.000050 -0.000033 -0.000051 -0.000005 -0.000014 8C 1f+2 0.000193 0.000028 0.000156 0.000222 -0.000016 -0.000055 8C 1f-2 -0.000053 -0.000039 -0.000063 -0.000151 -0.000005 -0.000023 8C 1f+3 0.000151 0.000036 0.000171 0.000332 0.000004 0.000009 8C 1f-3 -0.000226 -0.000040 -0.000239 -0.000415 0.000003 -0.000025 9C 1s -0.004639 -0.005729 0.005808 0.000663 -0.000005 -0.000153 9C 2s -0.009660 -0.011939 0.012101 0.001382 -0.000006 -0.000327 9C 3s 0.014298 0.018390 -0.018280 -0.002105 -0.000176 0.000863 9C 4s 0.011130 0.008400 -0.010887 -0.001126 0.000934 -0.001240 9C 5s -0.025434 -0.015154 -0.005009 -0.001053 -0.001001 0.005682 9C 1pz -0.007455 -0.009162 0.009235 0.001050 -0.000015 -0.000276 9C 1px -0.001475 -0.001769 0.001826 0.000205 0.000118 0.000004 9C 1py -0.005043 -0.006204 0.006240 0.000721 0.000024 -0.000165 9C 2pz -0.002217 -0.000891 0.002013 0.000439 -0.000460 0.000137 9C 2px -0.000321 -0.000498 0.000181 0.000181 -0.000345 0.000200 9C 2py -0.001304 -0.000291 0.001232 -0.000310 -0.000309 0.000127 9C 3pz 0.005419 0.002508 0.002321 -0.000159 -0.000162 -0.000852 9C 3px -0.000019 0.001051 0.001570 -0.000230 0.000994 0.000347 9C 3py 0.003792 0.001581 0.001312 0.001056 0.000260 -0.000608 9C 1dz2 0.000325 0.000347 -0.000374 -0.000062 -0.000001 0.000010 9C 1dxz 0.000095 0.000102 -0.000096 -0.000011 0.000008 -0.000005 9C 1dyz 0.000564 0.000597 -0.000673 -0.000064 0.000010 0.000010 9C 1dx2y2 -0.000099 -0.000109 0.000091 -0.000002 -0.000003 -0.000003 9C 1dxy 0.000128 0.000131 -0.000160 -0.000033 0.000004 -0.000002 9C 2dz2 -0.000023 -0.000416 0.000302 -0.000044 0.000178 -0.000035 9C 2dxz -0.000023 -0.000452 -0.000016 -0.000006 -0.000067 0.000006 9C 2dyz -0.000000 -0.000378 0.000470 0.000127 0.000241 -0.000163 9C 2dx2y2 0.000244 0.000598 -0.000255 -0.000086 0.000063 -0.000041 9C 2dxy 0.000276 0.000295 -0.000232 -0.000053 0.000004 -0.000103 9C 1f0 0.000058 0.000093 -0.000097 0.000027 -0.000009 -0.000002 9C 1f+1 0.000272 0.000364 -0.000364 -0.000017 -0.000021 0.000008 9C 1f-1 -0.000175 -0.000074 0.000114 0.000013 -0.000016 0.000040 9C 1f+2 -0.000056 -0.000114 0.000108 0.000043 0.000013 -0.000027 9C 1f-2 -0.000106 -0.000089 0.000129 0.000015 -0.000015 0.000039 9C 1f+3 0.000054 0.000109 -0.000103 -0.000019 -0.000013 0.000004 9C 1f-3 0.000252 0.000312 -0.000335 -0.000052 -0.000007 -0.000004 10H 1s 0.002091 -0.003379 -0.001522 -0.000109 0.000004 0.000062 10H 2s 0.002367 -0.002808 -0.001556 -0.000153 0.000134 0.000433 10H 3s 0.001208 -0.002014 0.000825 0.000177 -0.000423 -0.000956 10H 1pz 0.000324 -0.000552 -0.000267 -0.000025 0.000018 0.000061 10H 1px -0.000330 0.000473 0.000274 0.000028 -0.000008 -0.000066 10H 1py 0.000142 -0.000248 -0.000130 -0.000016 0.000010 0.000032 11H 1s 0.001942 -0.003191 -0.001348 -0.000098 -0.000052 0.000057 11H 2s 0.002539 -0.003536 -0.001197 0.000078 -0.000188 -0.000038 11H 3s 0.002848 -0.001376 -0.000893 -0.000632 0.000651 -0.000670 11H 1pz 0.000541 -0.000882 -0.000390 0.000024 -0.000032 0.000027 11H 1px 0.000236 -0.000448 -0.000111 0.000024 -0.000028 0.000001 11H 1py 0.000079 -0.000093 -0.000089 -0.000007 0.000019 -0.000011 12H 1s 0.001969 -0.003219 -0.001394 -0.000097 -0.000059 0.000064 12H 2s 0.002304 -0.002911 -0.001146 -0.000205 -0.000293 0.000027 12H 3s 0.002442 -0.001760 -0.000476 0.000247 0.000588 -0.000443 12H 1pz 0.000182 -0.000297 -0.000154 -0.000028 -0.000002 0.000008 12H 1px 0.000146 -0.000280 -0.000058 -0.000019 -0.000025 -0.000005 12H 1py 0.000442 -0.000720 -0.000323 -0.000065 -0.000054 0.000041 13H 1s 0.001971 0.000399 0.002476 -0.002783 0.000010 0.000093 13H 2s 0.002322 0.000506 0.002431 -0.002359 0.000159 0.000325 13H 3s 0.001217 -0.000172 0.000031 -0.002152 -0.000129 -0.000902 13H 1pz 0.000340 0.000095 0.000466 -0.000452 0.000008 0.000059 13H 1px -0.000216 -0.000051 -0.000266 0.000255 0.000001 -0.000035 13H 1py -0.000241 -0.000065 -0.000333 0.000377 -0.000020 -0.000038 14H 1s 0.001884 0.000378 0.002352 -0.002696 -0.000025 0.000055 14H 2s 0.002304 0.000480 0.002199 -0.002490 -0.000244 0.000045 14H 3s 0.002165 -0.000020 0.000965 -0.001807 0.000562 -0.000441 14H 1pz 0.000326 0.000097 0.000434 -0.000425 -0.000040 0.000029 14H 1px 0.000332 0.000090 0.000397 -0.000498 -0.000039 0.000017 14H 1py -0.000157 -0.000048 -0.000212 0.000240 0.000008 -0.000002 15H 1s 0.001832 0.000364 0.002257 -0.002660 -0.000006 0.000059 15H 2s 0.002404 0.000184 0.002301 -0.003116 -0.000020 -0.000095 15H 3s 0.002846 0.000950 0.001385 -0.001056 0.000321 -0.000664 15H 1pz 0.000024 0.000024 0.000056 0.000059 0.000001 -0.000004 15H 1px 0.000154 0.000008 0.000181 -0.000253 -0.000000 -0.000002 15H 1py -0.000554 -0.000047 -0.000690 0.000818 0.000021 -0.000009 16H 1s 0.001302 -0.000367 -0.000003 0.000184 0.077573 -0.045142 16H 2s 0.000670 0.000231 -0.000479 -0.000049 0.054821 -0.031448 16H 3s 0.000038 -0.000602 -0.000254 -0.000094 0.001449 -0.000511 16H 1pz 0.000225 0.000019 -0.000056 -0.000018 0.013312 -0.007666 16H 1px -0.000028 0.000075 0.000066 -0.000006 -0.000005 -0.000063 16H 1py 0.000083 0.000034 -0.000008 0.000044 0.004610 -0.002685 17H 1s 0.001277 -0.000198 0.000071 0.000309 0.077556 -0.045131 17H 2s 0.000627 -0.000056 0.000329 -0.000350 0.054520 -0.031313 17H 3s -0.000035 0.000099 0.000183 0.000452 0.001491 -0.000504 17H 1pz -0.000148 -0.000015 0.000002 0.000046 -0.009155 0.005306 17H 1px -0.000146 -0.000014 -0.000074 -0.000029 -0.008215 0.004676 17H 1py 0.000118 -0.000040 0.000010 -0.000027 0.006580 -0.003823 18H 1s 0.001274 0.000233 0.000044 -0.000291 -0.044973 -0.077651 18H 2s 0.000624 0.000167 0.000191 0.000397 -0.031809 -0.054203 18H 3s -0.000035 -0.000015 0.000285 -0.000402 -0.001022 -0.001130 18H 1pz 0.000152 -0.000014 -0.000005 0.000045 -0.005434 -0.009344 18H 1px 0.000146 0.000015 0.000075 -0.000014 -0.004818 -0.008136 18H 1py -0.000114 -0.000040 0.000014 -0.000024 0.003668 0.006324 19H 1s 0.001297 0.000360 -0.000110 -0.000193 -0.044977 -0.077659 19H 2s 0.000671 -0.000393 -0.000368 -0.000033 -0.032050 -0.054550 19H 3s 0.000029 0.000459 -0.000478 0.000012 -0.001011 -0.001173 19H 1pz -0.000222 0.000038 0.000047 -0.000007 0.007699 0.013153 19H 1px 0.000029 0.000044 -0.000088 -0.000022 -0.000099 -0.000057 19H 1py -0.000089 0.000033 -0.000011 0.000044 0.002845 0.004915 20H 1s 0.001821 0.000434 0.001668 0.003065 -0.000024 0.000054 20H 2s 0.002390 0.000607 0.001551 0.003510 0.000074 -0.000071 20H 3s 0.002845 -0.000362 0.001391 0.001354 0.000058 -0.000747 20H 1pz -0.000022 -0.000001 -0.000070 0.000048 -0.000000 0.000005 20H 1px -0.000154 -0.000053 -0.000118 -0.000288 -0.000002 0.000002 20H 1py 0.000549 0.000192 0.000485 0.000937 0.000015 0.000019 21H 1s 0.001871 0.000455 0.001749 0.003115 -0.000006 0.000060 21H 2s 0.002297 0.000315 0.001685 0.002898 0.000193 0.000152 21H 3s 0.002166 0.000343 0.000522 0.001948 -0.000251 -0.000664 21H 1pz -0.000327 -0.000062 -0.000349 -0.000509 -0.000020 -0.000044 21H 1px -0.000329 -0.000051 -0.000294 -0.000568 -0.000026 -0.000034 21H 1py 0.000158 0.000029 0.000166 0.000280 0.000006 0.000006 22H 1s 0.001960 0.000481 0.001855 0.003228 -0.000055 0.000076 22H 2s 0.002314 0.000387 0.001937 0.002808 -0.000300 0.000202 22H 3s 0.001206 0.000101 -0.000463 0.002123 0.000571 -0.000720 22H 1pz -0.000336 -0.000074 -0.000368 -0.000535 0.000036 -0.000047 22H 1px 0.000217 0.000047 0.000214 0.000307 -0.000016 0.000031 22H 1py 0.000240 0.000055 0.000254 0.000439 -0.000037 0.000024 23H 1s 0.001931 0.002476 -0.002496 -0.000287 0.000019 0.000085 23H 2s 0.002276 0.002302 -0.002183 -0.000120 0.000247 0.000166 23H 3s 0.002441 0.001464 -0.001068 -0.000405 -0.000298 -0.000682 23H 1pz -0.000181 -0.000219 0.000260 0.000013 0.000003 -0.000007 23H 1px -0.000139 -0.000234 0.000156 0.000002 -0.000025 -0.000007 23H 1py -0.000438 -0.000555 0.000580 0.000024 -0.000028 -0.000062 24H 1s 0.001907 0.002468 -0.002448 -0.000278 0.000016 0.000076 24H 2s 0.002504 0.002848 -0.002409 -0.000431 0.000188 0.000067 24H 3s 0.002814 0.000959 -0.001437 0.000394 -0.000233 -0.000918 24H 1pz -0.000529 -0.000673 0.000681 0.000129 -0.000015 -0.000041 24H 1px -0.000234 -0.000380 0.000269 0.000061 -0.000024 -0.000017 24H 1py -0.000078 -0.000058 0.000117 0.000014 0.000011 0.000020 25H 1s 0.002056 0.002581 -0.002681 -0.000306 -0.000034 0.000051 25H 2s 0.002337 0.002041 -0.002507 -0.000251 -0.000327 0.000314 25H 3s 0.001173 0.002197 0.000028 -0.000084 0.000852 -0.000614 25H 1pz -0.000320 -0.000416 0.000459 0.000047 0.000046 -0.000045 25H 1px 0.000325 0.000338 -0.000434 -0.000043 -0.000039 0.000054 25H 1py -0.000135 -0.000178 0.000209 0.000018 0.000024 -0.000022 26O 1s -0.031715 0.048390 0.021249 0.001511 -0.000865 -0.000599 26O 2s -0.074960 0.114441 0.050236 0.003574 -0.002019 -0.001433 26O 3s 0.107393 -0.164875 -0.071966 -0.005123 0.002432 0.002341 26O 4s 0.143747 -0.214936 -0.097102 -0.006910 0.005708 0.002229 26O 5s 0.045748 -0.083504 -0.029834 -0.002460 0.004708 -0.005874 26O 1pz 0.002135 -0.001794 -0.001150 0.000247 -0.000017 -0.000002 26O 1px -0.036039 0.056047 0.024235 0.001926 0.000203 -0.001194 26O 1py -0.012179 0.019889 0.008461 0.000041 0.000067 -0.000436 26O 2pz 0.003273 -0.003602 -0.001780 0.000166 0.000392 -0.000005 26O 2px -0.028864 0.045192 0.020040 0.001632 -0.000532 -0.000214 26O 2py -0.008695 0.014538 0.006384 0.000041 -0.000059 -0.000073 26O 3pz 0.000066 -0.005181 0.002395 0.000424 -0.001020 0.000032 26O 3px -0.004024 0.007143 0.004222 0.000732 -0.001450 0.004628 26O 3py -0.001455 -0.000620 0.003168 0.000133 -0.000396 0.001478 26O 1dz2 -0.001024 0.001646 0.000669 0.000068 -0.000007 -0.000021 26O 1dxz 0.000172 -0.000245 -0.000143 -0.000017 0.000010 -0.000026 26O 1dyz 0.000053 0.000041 -0.000074 -0.000024 -0.000023 0.000024 26O 1dx2y2 0.001328 -0.002064 -0.000877 -0.000064 0.000018 0.000055 26O 1dxy 0.001288 -0.001951 -0.000887 -0.000040 0.000008 0.000038 26O 2dz2 -0.002123 0.003161 0.001629 0.000234 -0.000226 0.000136 26O 2dxz 0.000440 -0.000778 -0.000233 0.000067 0.000218 0.000076 26O 2dyz 0.001146 -0.002254 -0.000732 -0.000097 0.000271 -0.000136 26O 2dx2y2 0.003190 -0.005018 -0.002460 -0.000082 0.000201 -0.000304 26O 2dxy 0.003335 -0.005445 -0.002445 -0.000224 0.000437 -0.000243 26O 1f0 0.000104 -0.000159 -0.000074 0.000001 0.000012 -0.000003 26O 1f+1 0.000680 -0.001057 -0.000476 -0.000032 0.000022 0.000001 26O 1f-1 0.000417 -0.000680 -0.000331 -0.000029 0.000022 -0.000000 26O 1f+2 -0.000090 0.000153 0.000071 0.000001 -0.000029 0.000001 26O 1f-2 -0.000093 0.000126 0.000058 0.000000 0.000003 0.000006 26O 1f+3 0.000391 -0.000614 -0.000287 -0.000007 0.000002 -0.000005 26O 1f-3 0.000877 -0.001357 -0.000617 -0.000054 0.000022 -0.000007 27O 1s -0.029994 -0.005678 -0.035161 0.040006 -0.000982 -0.001159 27O 2s -0.070884 -0.013421 -0.083126 0.094611 -0.002310 -0.002756 27O 3s 0.101498 0.019229 0.119327 -0.136407 0.003100 0.004198 27O 4s 0.136006 0.025814 0.158728 -0.176724 0.005084 0.004887 27O 5s 0.042454 0.009160 0.054131 -0.071565 0.004821 -0.004921 27O 1pz 0.005552 0.001531 0.005982 -0.006684 0.000035 0.000176 27O 1px -0.035712 -0.006734 -0.042461 0.048927 -0.000424 -0.001566 27O 1py 0.002375 0.000939 0.003515 -0.004631 0.000069 0.000224 27O 2pz 0.005301 0.001383 0.005732 -0.006408 0.000272 0.000140 27O 2px -0.028161 -0.005602 -0.034354 0.038869 -0.000932 -0.000339 27O 2py 0.000437 0.000566 0.001462 -0.001965 -0.000283 -0.000058 27O 3pz 0.000208 0.000287 0.000249 -0.004339 0.000926 -0.001254 27O 3px -0.004342 -0.001547 -0.006914 0.005512 0.001266 0.003471 27O 3py 0.000777 0.000619 0.001433 0.004551 -0.000649 0.000383 27O 1dz2 -0.000930 -0.000150 -0.001106 0.001227 -0.000021 -0.000049 27O 1dxz -0.000294 -0.000067 -0.000331 0.000430 -0.000031 -0.000014 27O 1dyz 0.000025 -0.000001 0.000041 -0.000158 0.000031 -0.000027 27O 1dx2y2 0.001623 0.000313 0.001914 -0.002249 0.000050 0.000070 27O 1dxy -0.000554 -0.000124 -0.000670 0.000682 0.000018 -0.000031 27O 2dz2 -0.002737 -0.000504 -0.003496 0.003879 -0.000208 0.000157 27O 2dxz -0.000551 -0.000037 -0.000759 0.000637 0.000179 0.000059 27O 2dyz -0.000728 -0.000230 -0.000983 0.001434 -0.000213 0.000119 27O 2dx2y2 0.003711 0.000911 0.004720 -0.004951 0.000149 -0.000192 27O 2dxy -0.001740 -0.000330 -0.002164 0.002643 -0.000430 0.000097 27O 1f0 -0.000214 -0.000041 -0.000296 0.000306 -0.000007 -0.000001 27O 1f+1 0.000721 0.000150 0.000870 -0.000969 0.000021 0.000005 27O 1f-1 -0.000155 -0.000034 -0.000197 0.000210 -0.000005 -0.000001 27O 1f+2 0.000061 -0.000004 0.000047 -0.000067 -0.000011 -0.000005 27O 1f-2 -0.000038 -0.000008 -0.000061 0.000070 -0.000029 -0.000000 27O 1f+3 0.000802 0.000170 0.000993 -0.001096 0.000034 0.000008 27O 1f-3 -0.000434 -0.000079 -0.000528 0.000584 -0.000020 -0.000002 28O 1s -0.031257 0.047631 0.020935 0.001490 0.001545 -0.000568 28O 2s -0.073866 0.112631 0.049481 0.003524 0.003652 -0.001360 28O 3s 0.105736 -0.162174 -0.070793 -0.005051 -0.005199 0.002249 28O 4s 0.141661 -0.211337 -0.095862 -0.006824 -0.007302 0.002011 28O 5s 0.045348 -0.083165 -0.028983 -0.002136 -0.001392 -0.006947 28O 1pz -0.019683 0.031942 0.013488 0.001284 0.000758 -0.000687 28O 1px 0.032320 -0.049686 -0.021657 -0.001325 -0.001065 0.000986 28O 1py 0.000375 0.000461 0.000022 -0.000552 0.000062 -0.000054 28O 2pz -0.014348 0.023880 0.010455 0.001047 0.000340 0.000090 28O 2px 0.026503 -0.040855 -0.018233 -0.001150 -0.000996 -0.000140 28O 2py 0.001449 -0.001162 -0.000580 -0.000469 -0.000312 -0.000101 28O 3pz -0.003334 0.000147 0.004568 0.000603 -0.002246 0.000186 28O 3px 0.003882 -0.008547 -0.002874 -0.000070 0.002239 -0.002872 28O 3py -0.000592 -0.003163 0.001817 -0.000119 0.000029 -0.000328 28O 1dz2 0.000106 -0.000097 -0.000107 -0.000004 0.000021 0.000031 28O 1dxz -0.001728 0.002689 0.001163 0.000098 0.000080 -0.000045 28O 1dyz 0.000100 -0.000033 -0.000111 -0.000007 0.000010 0.000040 28O 1dx2y2 0.001162 -0.001809 -0.000767 -0.000033 -0.000063 0.000032 28O 1dxy -0.000141 0.000254 0.000101 -0.000012 -0.000003 0.000004 28O 2dz2 0.000534 -0.001064 -0.000301 0.000118 -0.000269 -0.000213 28O 2dxz -0.004193 0.006565 0.003116 0.000277 0.000135 0.000314 28O 2dyz 0.001316 -0.002500 -0.000838 -0.000137 -0.000213 -0.000270 28O 2dx2y2 0.002847 -0.004454 -0.002197 -0.000095 0.000047 -0.000175 28O 2dxy -0.000116 0.000068 0.000054 0.000050 0.000107 0.000031 28O 1f0 0.000443 -0.000689 -0.000312 -0.000022 -0.000019 -0.000010 28O 1f+1 0.000488 -0.000748 -0.000341 -0.000014 -0.000025 -0.000006 28O 1f-1 0.000033 -0.000091 -0.000057 -0.000002 -0.000023 -0.000008 28O 1f+2 -0.000937 0.001462 0.000674 0.000049 0.000034 0.000009 28O 1f-2 0.000232 -0.000366 -0.000177 -0.000023 -0.000005 -0.000001 28O 1f+3 -0.000489 0.000751 0.000340 0.000028 0.000008 -0.000001 28O 1f-3 0.000026 -0.000041 -0.000008 -0.000011 -0.000014 -0.000010 29O 1s -0.001393 0.000256 -0.000037 -0.000213 -0.084726 0.049204 29O 2s -0.003302 0.000604 -0.000089 -0.000505 -0.200799 0.116576 29O 3s 0.004873 -0.000834 0.000140 0.000729 0.291377 -0.168706 29O 4s 0.005235 -0.001219 0.000081 0.000872 0.392148 -0.229575 29O 5s 0.005617 -0.000804 0.000414 0.001046 0.141860 -0.077958 29O 1pz -0.000211 0.000194 0.000018 0.000058 -0.016935 0.009869 29O 1px 0.000282 -0.000033 0.000016 0.000110 0.032034 -0.018694 29O 1py -0.000908 0.000240 -0.000025 -0.000256 -0.055735 0.032371 29O 2pz -0.000079 0.000251 -0.000042 0.000060 -0.014073 0.008048 29O 2px -0.000081 -0.000067 -0.000011 0.000198 0.025990 -0.014762 29O 2py -0.000823 0.000264 -0.000018 -0.000259 -0.049364 0.028701 29O 3pz 0.000419 0.000611 -0.000625 0.000449 -0.001464 0.001583 29O 3px -0.001333 0.000279 -0.000252 0.000097 0.002510 -0.003311 29O 3py -0.000565 0.000528 -0.000085 -0.000884 -0.005929 0.003636 29O 1dz2 0.000054 -0.000022 -0.000000 -0.000003 0.002201 -0.001299 29O 1dxz 0.000054 0.000018 -0.000005 0.000015 0.001474 -0.000886 29O 1dyz 0.000016 -0.000002 -0.000019 0.000016 0.000660 -0.000389 29O 1dx2y2 -0.000055 0.000005 -0.000004 0.000013 -0.000472 0.000319 29O 1dxy -0.000050 0.000026 -0.000010 -0.000031 -0.002527 0.001486 29O 2dz2 -0.000055 0.000042 0.000009 0.000058 0.004109 -0.002311 29O 2dxz -0.000132 -0.000147 0.000020 -0.000039 0.002794 -0.001501 29O 2dyz -0.000015 -0.000063 0.000078 -0.000113 0.001330 -0.000748 29O 2dx2y2 0.000262 -0.000006 0.000008 -0.000101 -0.000626 0.000163 29O 2dxy 0.000007 -0.000101 0.000033 0.000101 -0.005805 0.003297 29O 1f0 -0.000039 0.000010 -0.000005 -0.000012 -0.002197 0.001290 29O 1f+1 0.000017 -0.000017 -0.000002 -0.000004 0.000834 -0.000493 29O 1f-1 -0.000043 0.000014 -0.000008 -0.000011 -0.002689 0.001565 29O 1f+2 0.000026 0.000006 0.000004 0.000010 0.001135 -0.000680 29O 1f-2 -0.000023 0.000002 0.000006 -0.000002 -0.001625 0.000941 29O 1f+3 0.000031 -0.000009 -0.000002 -0.000002 0.001142 -0.000692 29O 1f-3 0.000017 -0.000014 -0.000002 0.000019 0.000882 -0.000521 30O 1s -0.029800 -0.005678 -0.034908 0.039720 0.001057 -0.000114 30O 2s -0.070427 -0.013424 -0.082534 0.093938 0.002486 -0.000293 30O 3s 0.100855 0.019265 0.118506 -0.135486 -0.003347 0.000813 30O 4s 0.135002 0.025691 0.157399 -0.175163 -0.005985 -0.000509 30O 5s 0.042406 0.008072 0.053497 -0.070744 -0.000059 -0.006148 30O 1pz -0.015338 -0.002459 -0.018680 0.021631 0.000240 -0.000526 30O 1px 0.029192 0.005646 0.034148 -0.039043 -0.000393 0.000891 30O 1py 0.014224 0.003196 0.017472 -0.020669 -0.000238 0.000484 30O 2pz -0.011369 -0.001850 -0.014393 0.016278 0.000037 -0.000144 30O 2px 0.024201 0.004718 0.028651 -0.032262 -0.000609 -0.000116 30O 2py 0.009830 0.002342 0.012783 -0.014753 -0.000034 0.000160 30O 3pz -0.001966 -0.000344 -0.003225 -0.000461 -0.000363 0.002291 30O 3px 0.002953 0.000597 0.004807 -0.007613 0.001702 -0.002993 30O 3py 0.002321 0.001011 0.003470 0.002500 0.000775 -0.001685 30O 1dz2 -0.000300 -0.000056 -0.000347 0.000381 0.000004 -0.000040 30O 1dxz -0.001247 -0.000212 -0.001476 0.001710 0.000039 -0.000017 30O 1dyz -0.000774 -0.000163 -0.000918 0.000924 0.000020 -0.000033 30O 1dx2y2 0.000543 0.000108 0.000619 -0.000797 -0.000034 0.000019 30O 1dxy 0.001216 0.000252 0.001446 -0.001708 -0.000036 -0.000003 30O 2dz2 -0.001194 -0.000108 -0.001573 0.001714 0.000012 0.000195 30O 2dxz -0.002728 -0.000543 -0.003481 0.003657 0.000067 0.000251 30O 2dyz -0.002720 -0.000597 -0.003451 0.004165 0.000213 0.000375 30O 2dx2y2 0.001136 0.000338 0.001493 -0.001338 0.000212 -0.000046 30O 2dxy 0.002561 0.000498 0.003182 -0.003288 -0.000116 -0.000175 30O 1f0 0.000478 0.000091 0.000549 -0.000621 0.000006 0.000002 30O 1f+1 -0.000006 0.000010 -0.000018 0.000006 -0.000010 -0.000007 30O 1f-1 0.000031 0.000010 0.000033 -0.000038 0.000004 -0.000004 30O 1f+2 -0.000407 -0.000092 -0.000526 0.000569 0.000013 0.000006 30O 1f-2 -0.000803 -0.000163 -0.000998 0.001088 0.000016 0.000016 30O 1f+3 0.000123 0.000019 0.000163 -0.000174 -0.000023 -0.000010 30O 1f-3 -0.000555 -0.000103 -0.000675 0.000754 0.000017 0.000010 31O 1s -0.029627 -0.006736 -0.026061 -0.045983 -0.000858 -0.000620 31O 2s -0.070017 -0.015924 -0.061609 -0.108745 -0.002005 -0.001481 31O 3s 0.100265 0.022848 0.088342 0.156735 0.002485 0.002361 31O 4s 0.134231 0.030446 0.118299 0.203484 0.005452 0.002496 31O 5s 0.042081 0.010505 0.037777 0.080113 0.003234 -0.005350 31O 1pz 0.015247 0.004120 0.013666 0.024966 -0.000054 0.000575 31O 1px -0.029018 -0.006496 -0.025487 -0.045162 0.000103 -0.000966 31O 1py -0.014129 -0.003004 -0.013016 -0.023783 0.000035 -0.000536 31O 2pz 0.011300 0.003225 0.010589 0.018853 -0.000036 0.000140 31O 2px -0.024055 -0.005485 -0.021472 -0.037403 -0.000593 -0.000194 31O 2py -0.009757 -0.002200 -0.009592 -0.017030 0.000045 -0.000151 31O 3pz 0.001963 0.000942 0.003147 0.000204 0.000865 -0.002195 31O 3px -0.002905 -0.001004 -0.003098 -0.008413 -0.000065 0.003462 31O 3py -0.002312 -0.000494 -0.003996 0.001760 -0.000230 0.001877 31O 1dz2 -0.000298 -0.000068 -0.000261 -0.000442 0.000016 -0.000037 31O 1dxz -0.001239 -0.000309 -0.001085 -0.001973 -0.000024 -0.000035 31O 1dyz -0.000771 -0.000169 -0.000715 -0.001093 0.000000 -0.000038 31O 1dx2y2 0.000540 0.000109 0.000448 0.000907 0.000020 0.000034 31O 1dxy 0.001208 0.000261 0.001073 0.001966 0.000032 0.000016 31O 2dz2 -0.001183 -0.000442 -0.001133 -0.001990 -0.000107 0.000163 31O 2dxz -0.002710 -0.000702 -0.002649 -0.004286 -0.000190 0.000190 31O 2dyz -0.002703 -0.000621 -0.002544 -0.004781 -0.000377 0.000223 31O 2dx2y2 0.001131 0.000211 0.001220 0.001616 -0.000159 -0.000147 31O 2dxy 0.002543 0.000643 0.002431 0.003860 0.000196 -0.000098 31O 1f0 -0.000476 -0.000105 -0.000411 -0.000720 0.000006 0.000001 31O 1f+1 0.000005 0.000016 0.000011 0.000008 -0.000012 0.000001 31O 1f-1 -0.000031 -0.000002 -0.000026 -0.000044 0.000001 0.000006 31O 1f+2 0.000405 0.000096 0.000401 0.000664 0.000015 0.000001 31O 1f-2 0.000798 0.000193 0.000754 0.001268 0.000023 -0.000006 31O 1f+3 -0.000122 -0.000038 -0.000121 -0.000203 -0.000025 -0.000003 31O 1f-3 0.000551 0.000137 0.000503 0.000874 0.000020 -0.000001 32O 1s -0.001390 -0.000273 0.000027 0.000207 0.049179 0.084744 32O 2s -0.003293 -0.000645 0.000063 0.000490 0.116573 0.200810 32O 3s 0.004861 0.000902 -0.000066 -0.000705 -0.169387 -0.291000 32O 4s 0.005219 0.001245 -0.000247 -0.000863 -0.226726 -0.393849 32O 5s 0.005609 0.001006 0.000284 -0.000951 -0.084479 -0.137951 32O 1pz 0.000187 0.000169 -0.000100 0.000049 -0.008986 -0.015542 32O 1px -0.000289 -0.000045 -0.000021 0.000106 0.018824 0.032593 32O 1py 0.000908 0.000251 -0.000023 -0.000252 -0.032436 -0.055897 32O 2pz 0.000058 0.000241 -0.000067 0.000062 -0.007525 -0.012749 32O 2px 0.000076 -0.000067 -0.000003 0.000200 0.015484 0.026112 32O 2py 0.000821 0.000274 -0.000037 -0.000253 -0.028683 -0.049484 32O 3pz -0.000432 0.000779 0.000249 0.000539 -0.000352 -0.001861 32O 3px 0.001325 0.000361 0.000097 0.000134 0.000604 0.004243 32O 3py 0.000563 0.000568 0.000070 -0.000862 -0.003365 -0.006132 32O 1dz2 0.000053 0.000021 -0.000009 0.000003 -0.001249 -0.002189 32O 1dxz 0.000055 -0.000018 0.000005 -0.000015 -0.000866 -0.001543 32O 1dyz 0.000017 -0.000004 -0.000015 -0.000019 -0.000429 -0.000748 32O 1dx2y2 -0.000055 -0.000006 0.000001 -0.000014 0.000239 0.000489 32O 1dxy -0.000049 -0.000029 -0.000005 0.000029 0.001443 0.002519 32O 2dz2 -0.000054 -0.000038 0.000033 -0.000055 -0.002413 -0.004028 32O 2dxz -0.000132 0.000140 -0.000044 0.000035 -0.001717 -0.002751 32O 2dyz -0.000013 0.000086 0.000025 0.000123 -0.000852 -0.001428 32O 2dx2y2 0.000262 0.000006 -0.000017 0.000100 0.000436 0.000406 32O 2dxy 0.000008 0.000109 0.000011 -0.000099 0.003372 0.005682 32O 1f0 0.000036 0.000011 0.000003 -0.000010 -0.001172 -0.002044 32O 1f+1 -0.000018 -0.000016 0.000008 -0.000002 0.000540 0.000947 32O 1f-1 0.000044 0.000018 0.000004 -0.000010 -0.001603 -0.002767 32O 1f+2 -0.000028 0.000003 -0.000008 0.000009 0.000730 0.001295 32O 1f-2 0.000022 0.000000 -0.000006 -0.000003 -0.000925 -0.001590 32O 1f+3 -0.000030 -0.000007 0.000006 -0.000002 0.000613 0.001106 32O 1f-3 -0.000016 -0.000013 0.000004 0.000019 0.000500 0.000878 33O 1s -0.030713 -0.036553 0.037261 0.004255 -0.001053 -0.001256 33O 2s -0.072579 -0.086441 0.088089 0.010057 -0.002481 -0.002984 33O 3s 0.103886 0.124631 -0.126422 -0.014420 0.003372 0.004521 33O 4s 0.139241 0.161089 -0.168063 -0.019230 0.005325 0.005348 33O 5s 0.044355 0.066508 -0.058046 -0.006469 0.004500 -0.005337 33O 1pz 0.019293 0.024663 -0.024510 -0.002470 0.000317 0.000967 33O 1px -0.031775 -0.038228 0.038686 0.004633 -0.000437 -0.001380 33O 1py -0.000345 0.000474 -0.000125 -0.000568 0.000028 0.000079 33O 2pz 0.014047 0.018280 -0.018668 -0.001832 0.000325 0.000088 33O 2px -0.026049 -0.031263 0.032202 0.003832 -0.000921 -0.000370 33O 2py -0.001411 -0.000830 0.001028 -0.000313 -0.000323 -0.000067 33O 3pz 0.003342 -0.001549 -0.004330 -0.000281 -0.001853 -0.001258 33O 3px -0.003771 -0.006864 0.005841 0.000794 0.000545 0.003608 33O 3py 0.000641 -0.003587 -0.000446 -0.000345 -0.000101 0.000300 33O 1dz2 0.000102 0.000048 -0.000131 -0.000020 -0.000034 0.000017 33O 1dxz -0.001696 -0.002068 0.002088 0.000223 -0.000047 -0.000078 33O 1dyz 0.000102 -0.000007 -0.000117 -0.000015 -0.000028 0.000030 33O 1dx2y2 0.001142 0.001401 -0.001387 -0.000180 0.000039 0.000059 33O 1dxy -0.000141 -0.000202 0.000188 0.000041 0.000001 0.000005 33O 2dz2 0.000515 0.000875 -0.000643 -0.000211 0.000339 -0.000051 33O 2dxz -0.004112 -0.004940 0.005351 0.000560 -0.000267 0.000204 33O 2dyz 0.001295 0.002019 -0.001739 -0.000118 0.000318 -0.000129 33O 2dx2y2 0.002800 0.003333 -0.003699 -0.000488 0.000043 -0.000174 33O 2dxy -0.000121 -0.000049 0.000092 -0.000035 -0.000110 -0.000027 33O 1f0 -0.000436 -0.000526 0.000549 0.000063 -0.000021 -0.000001 33O 1f+1 -0.000477 -0.000567 0.000592 0.000078 -0.000024 -0.000007 33O 1f-1 -0.000032 -0.000063 0.000086 0.000013 -0.000024 -0.000004 33O 1f+2 0.000919 0.001110 -0.001172 -0.000134 0.000033 0.000009 33O 1f-2 -0.000230 -0.000276 0.000306 0.000025 -0.000005 -0.000002 33O 1f+3 0.000481 0.000573 -0.000598 -0.000065 0.000006 0.000005 33O 1f-3 -0.000028 -0.000037 0.000027 -0.000008 -0.000017 0.000001 34O 1s -0.029819 -0.006823 -0.026231 -0.046312 0.001427 -0.000522 34O 2s -0.070468 -0.016130 -0.062010 -0.109518 0.003371 -0.001252 34O 3s 0.100899 0.023164 0.088887 0.157792 -0.004768 0.002119 34O 4s 0.135224 0.030785 0.119234 0.205273 -0.006855 0.001709 34O 5s 0.042128 0.009703 0.038614 0.081062 -0.001633 -0.006598 34O 1pz -0.005536 -0.000651 -0.004703 -0.007793 0.000118 -0.000135 34O 1px 0.035498 0.008324 0.031517 0.056525 -0.001147 0.001147 34O 1py -0.002364 -0.000308 -0.002645 -0.005267 0.000173 -0.000159 34O 2pz -0.005282 -0.000701 -0.004474 -0.007464 0.000309 0.000014 34O 2px 0.027986 0.006611 0.025695 0.045029 -0.000966 -0.000160 34O 2py -0.000433 0.000041 -0.001160 -0.002232 -0.000283 -0.000093 34O 3pz -0.000187 0.000336 0.000510 -0.004297 0.000162 0.001550 34O 3px 0.004310 0.001021 0.005778 0.006816 0.002814 -0.002410 34O 3py -0.000783 -0.000145 -0.002402 0.004169 -0.000318 -0.000630 34O 1dz2 -0.000924 -0.000242 -0.000820 -0.001425 0.000043 -0.000032 34O 1dxz -0.000293 -0.000050 -0.000242 -0.000490 0.000034 0.000003 34O 1dyz 0.000025 0.000011 0.000007 0.000164 -0.000013 -0.000039 34O 1dx2y2 0.001613 0.000365 0.001416 0.002591 -0.000078 0.000035 34O 1dxy -0.000552 -0.000118 -0.000522 -0.000805 -0.000001 -0.000035 34O 2dz2 -0.002717 -0.000735 -0.002604 -0.004502 0.000100 0.000238 34O 2dxz -0.000549 -0.000235 -0.000581 -0.000778 -0.000185 -0.000038 34O 2dyz -0.000722 -0.000111 -0.000699 -0.001605 0.000125 0.000210 34O 2dx2y2 0.003689 0.000791 0.003659 0.005810 -0.000034 -0.000238 34O 2dxy -0.001729 -0.000431 -0.001574 -0.003029 0.000325 0.000296 34O 1f0 0.000213 0.000064 0.000225 0.000360 -0.000006 -0.000003 34O 1f+1 -0.000717 -0.000160 -0.000656 -0.001125 0.000021 0.000006 34O 1f-1 0.000155 0.000037 0.000151 0.000247 -0.000004 -0.000002 34O 1f+2 -0.000061 -0.000020 -0.000029 -0.000076 -0.000012 -0.000001 34O 1f-2 0.000038 0.000014 0.000045 0.000082 -0.000025 -0.000014 34O 1f+3 -0.000797 -0.000184 -0.000751 -0.001275 0.000034 0.000010 34O 1f-3 0.000432 0.000109 0.000395 0.000680 -0.000019 -0.000008 35O 1s -0.031166 -0.037143 0.037841 0.004323 0.001039 -0.000091 35O 2s -0.073663 -0.087849 0.089477 0.010222 0.002442 -0.000244 35O 3s 0.105525 0.126713 -0.128534 -0.014676 -0.003236 0.000833 35O 4s 0.141309 0.163983 -0.170585 -0.019520 -0.006033 -0.000914 35O 5s 0.044715 0.066467 -0.058981 -0.006319 -0.001236 -0.007529 35O 1pz -0.002130 -0.001279 0.001691 0.000526 -0.000015 -0.000007 35O 1px 0.035396 0.043140 -0.043512 -0.004764 -0.000410 0.001134 35O 1py 0.011972 0.015401 -0.015212 -0.002297 -0.000156 0.000410 35O 2pz -0.003247 -0.002729 0.002962 0.000632 0.000340 0.000202 35O 2px 0.028332 0.034577 -0.035538 -0.003859 -0.000567 -0.000090 35O 2py 0.008539 0.011173 -0.011296 -0.001707 -0.000090 0.000027 35O 3pz -0.000007 -0.005712 -0.000299 0.000151 -0.000895 -0.000554 35O 3px 0.003922 0.005027 -0.006653 -0.000351 0.000975 -0.004809 35O 3py 0.001452 -0.001761 -0.002662 -0.000445 0.000345 -0.001530 35O 1dz2 -0.001005 -0.001282 0.001241 0.000120 0.000016 -0.000015 35O 1dxz 0.000169 0.000173 -0.000224 -0.000019 0.000005 -0.000027 35O 1dyz 0.000053 -0.000067 -0.000056 0.000011 0.000008 0.000032 35O 1dx2y2 0.001303 0.001593 -0.001585 -0.000179 -0.000042 0.000040 35O 1dxy 0.001268 0.001489 -0.001551 -0.000201 -0.000025 0.000030 35O 2dz2 -0.002086 -0.002331 0.002716 0.000196 0.000130 0.000234 35O 2dxz 0.000427 0.000636 -0.000487 -0.000138 -0.000229 -0.000045 35O 2dyz 0.001120 0.001821 -0.001534 -0.000127 -0.000168 -0.000254 35O 2dx2y2 0.003127 0.003750 -0.004136 -0.000571 -0.000027 -0.000370 35O 2dxy 0.003275 0.004156 -0.004320 -0.000444 -0.000263 -0.000433 35O 1f0 -0.000102 -0.000121 0.000127 0.000021 0.000010 0.000009 35O 1f+1 -0.000668 -0.000806 0.000837 0.000097 0.000020 0.000010 35O 1f-1 -0.000410 -0.000510 0.000563 0.000060 0.000019 0.000011 35O 1f+2 0.000088 0.000116 -0.000122 -0.000018 -0.000025 -0.000016 35O 1f-2 0.000091 0.000095 -0.000100 -0.000015 0.000005 -0.000003 35O 1f+3 -0.000382 -0.000464 0.000492 0.000070 -0.000002 0.000006 35O 1f-3 -0.000862 -0.001033 0.001082 0.000114 0.000016 0.000018 60 61 62 63 64 65 -0.97300 -0.96871 -0.96755 -0.96730 -0.72133 -0.71985 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s -0.001779 0.000055 -0.000005 0.000010 0.001399 -0.000025 0Rh 2s 0.006763 -0.000211 0.000018 -0.000044 -0.005336 0.000096 0Rh 3s -0.006040 0.000184 -0.000020 0.000027 0.004759 -0.000084 0Rh 4s -0.027642 0.000862 -0.000072 0.000187 0.022170 -0.000400 0Rh 5s 0.019907 -0.000637 0.000027 -0.000199 -0.016645 0.000307 0Rh 6s 0.039659 -0.001187 0.000183 -0.000045 -0.032165 0.000567 0Rh 7s -0.052651 0.001456 -0.000183 -0.000377 0.027921 -0.000415 0Rh 8s -0.014641 0.000866 -0.000966 -0.000615 0.003182 -0.000043 0Rh 1pz 0.000109 -0.000192 0.006580 -0.003940 -0.000210 -0.000069 0Rh 1px -0.000484 -0.000027 0.001267 -0.002456 0.000679 -0.000027 0Rh 1py -0.000155 -0.000108 0.004429 0.006544 0.000172 -0.000038 0Rh 2pz -0.000369 0.000644 -0.021974 0.013158 0.000714 0.000231 0Rh 2px 0.001626 0.000089 -0.004229 0.008204 -0.002302 0.000093 0Rh 2py 0.000520 0.000360 -0.014792 -0.021855 -0.000583 0.000128 0Rh 3pz 0.000343 -0.000508 0.016336 -0.009780 -0.000697 -0.000183 0Rh 3px -0.001383 -0.000067 0.003127 -0.006095 0.002192 -0.000084 0Rh 3py -0.000423 -0.000254 0.011002 0.016253 0.000531 -0.000097 0Rh 4pz 0.000162 -0.000683 0.026729 -0.016011 -0.000363 -0.000275 0Rh 4px -0.001225 -0.000107 0.005196 -0.009996 0.001351 -0.000076 0Rh 4py -0.000486 -0.000483 0.017974 0.026565 0.000435 -0.000168 0Rh 5pz 0.000753 -0.000155 -0.000252 0.000148 -0.000914 -0.000006 0Rh 5px -0.002058 0.000018 -0.000102 0.000151 0.002625 -0.000045 0Rh 5py -0.000332 0.000082 -0.000143 -0.000214 0.000459 0.000021 0Rh 6pz -0.010859 0.000402 0.008055 -0.004522 0.002349 0.000902 0Rh 6px 0.030702 -0.000709 0.001375 -0.003612 -0.008820 -0.000047 0Rh 6py 0.004288 -0.000710 0.005612 0.007812 -0.001142 0.001110 0Rh 1dz2 0.002238 0.003376 0.000321 -0.000143 -0.001798 0.003445 0Rh 1dxz 0.002804 -0.000397 -0.000479 0.000200 -0.002477 -0.000267 0Rh 1dyz 0.000788 0.008406 0.000168 0.000290 -0.000320 0.008462 0Rh 1dx2y2 -0.004220 0.001403 0.000009 0.000330 0.003730 0.001180 0Rh 1dxy -0.001537 0.003340 -0.000280 -0.000402 0.001490 0.003293 0Rh 2dz2 -0.000039 -0.000051 0.000002 -0.000003 0.000040 -0.000037 0Rh 2dxz -0.000053 -0.000000 -0.000011 0.000003 0.000051 -0.000002 0Rh 2dyz -0.000012 -0.000133 -0.000001 0.000002 0.000008 -0.000099 0Rh 2dx2y2 0.000077 -0.000025 0.000002 0.000006 -0.000075 -0.000016 0Rh 2dxy 0.000030 -0.000055 -0.000007 -0.000010 -0.000025 -0.000037 0Rh 3dz2 -0.002806 -0.004281 -0.000428 0.000196 0.002373 -0.004714 0Rh 3dxz -0.003507 0.000526 0.000669 -0.000272 0.003292 0.000383 0Rh 3dyz -0.000995 -0.010633 -0.000218 -0.000385 0.000419 -0.011554 0Rh 3dx2y2 0.005275 -0.001767 -0.000020 -0.000455 -0.004954 -0.001606 0Rh 3dxy 0.001921 -0.004218 0.000391 0.000563 -0.002002 -0.004504 0Rh 4dz2 -0.004623 -0.006893 -0.000602 0.000256 0.003658 -0.006671 0Rh 4dxz -0.005834 0.000752 0.000830 -0.000363 0.004997 0.000470 0Rh 4dyz -0.001612 -0.017217 -0.000318 -0.000566 0.000664 -0.016451 0Rh 4dx2y2 0.008772 -0.002890 0.000007 -0.000599 -0.007526 -0.002305 0Rh 4dxy 0.003199 -0.006868 0.000495 0.000692 -0.002942 -0.006392 0Rh 5dz2 -0.003990 -0.005869 -0.000596 0.000282 0.003154 -0.006313 0Rh 5dxz -0.004812 0.000823 0.000936 -0.000348 0.004421 0.000566 0Rh 5dyz -0.001415 -0.014535 -0.000455 -0.000314 0.000515 -0.015290 0Rh 5dx2y2 0.007322 -0.002417 -0.000100 -0.000536 -0.006671 -0.002096 0Rh 5dxy 0.002575 -0.005701 0.000438 0.000826 -0.002794 -0.005964 0Rh 1f0 -0.000150 -0.000113 -0.000400 -0.001461 0.000124 -0.000121 0Rh 1f+1 0.000145 0.000187 -0.000743 0.000182 -0.000104 0.000162 0Rh 1f-1 0.000042 -0.000117 -0.002652 -0.000476 -0.000033 -0.000150 0Rh 1f+2 0.000187 -0.000169 0.001599 -0.001785 -0.000184 -0.000120 0Rh 1f-2 0.000102 0.000397 -0.000867 -0.001654 -0.000069 0.000364 0Rh 1f+3 0.000236 -0.000037 -0.000386 0.001535 -0.000200 -0.000024 0Rh 1f-3 0.000148 -0.000222 -0.000385 -0.000812 -0.000129 -0.000214 1Rh 1s 0.001779 -0.000054 0.000012 0.000004 0.001399 -0.000025 1Rh 2s -0.006763 0.000210 -0.000047 -0.000023 -0.005336 0.000097 1Rh 3s 0.006039 -0.000183 0.000038 0.000008 0.004759 -0.000085 1Rh 4s 0.027643 -0.000859 0.000196 0.000099 0.022171 -0.000406 1Rh 5s -0.019910 0.000636 -0.000164 -0.000135 -0.016646 0.000311 1Rh 6s -0.039659 0.001179 -0.000206 0.000078 -0.032167 0.000574 1Rh 7s 0.052642 -0.001438 0.000338 -0.000530 0.027928 -0.000409 1Rh 8s 0.014667 -0.000844 -0.000801 -0.000704 0.003227 -0.000112 1Rh 1pz 0.000193 0.000075 -0.006582 0.003939 0.000278 -0.000023 1Rh 1px -0.000463 0.000012 -0.001272 0.002457 -0.000660 0.000025 1Rh 1py -0.000126 0.000151 -0.004432 -0.006541 -0.000160 -0.000111 1Rh 2pz -0.000648 -0.000248 0.021982 -0.013155 -0.000940 0.000078 1Rh 2px 0.001554 -0.000039 0.004246 -0.008206 0.002238 -0.000085 1Rh 2py 0.000423 -0.000506 0.014802 0.021845 0.000542 0.000373 1Rh 3pz 0.000552 0.000155 -0.016343 0.009777 0.000870 -0.000055 1Rh 3px -0.001330 0.000028 -0.003141 0.006096 -0.002142 0.000078 1Rh 3py -0.000350 0.000390 -0.011009 -0.016245 -0.000499 -0.000289 1Rh 4pz 0.000497 0.000401 -0.026737 0.016011 0.000643 -0.000108 1Rh 4px -0.001138 0.000048 -0.005209 0.009998 -0.001272 0.000064 1Rh 4py -0.000369 0.000569 -0.017987 -0.026557 -0.000383 -0.000454 1Rh 5pz 0.000760 -0.000165 0.000253 -0.000155 0.000912 0.000009 1Rh 5px -0.002058 0.000019 0.000083 -0.000148 -0.002627 0.000049 1Rh 5py -0.000333 0.000074 0.000145 0.000221 -0.000461 -0.000014 1Rh 6pz -0.010769 0.000759 -0.008145 0.004546 -0.002398 -0.000852 1Rh 6px 0.030714 -0.000703 -0.001099 0.003521 0.008845 0.000014 1Rh 6py 0.004358 -0.000336 -0.005608 -0.007800 0.001166 -0.000996 1Rh 1dz2 -0.002245 -0.003385 0.000143 -0.000170 -0.001812 0.003459 1Rh 1dxz -0.002802 0.000417 -0.000488 0.000211 -0.002464 -0.000292 1Rh 1dyz -0.000790 -0.008413 -0.000232 0.000217 -0.000321 0.008479 1Rh 1dx2y2 0.004227 -0.001404 -0.000006 0.000305 0.003741 0.001185 1Rh 1dxy 0.001541 -0.003322 -0.000416 -0.000438 0.001495 0.003254 1Rh 2dz2 0.000039 0.000051 0.000005 -0.000003 0.000040 -0.000037 1Rh 2dxz 0.000053 0.000001 -0.000010 0.000003 0.000051 -0.000002 1Rh 2dyz 0.000012 0.000133 0.000005 0.000003 0.000008 -0.000099 1Rh 2dx2y2 -0.000076 0.000025 0.000002 0.000006 -0.000075 -0.000015 1Rh 2dxy -0.000030 0.000056 -0.000005 -0.000009 -0.000025 -0.000037 1Rh 3dz2 0.002816 0.004293 -0.000202 0.000230 0.002393 -0.004734 1Rh 3dxz 0.003504 -0.000555 0.000679 -0.000287 0.003275 0.000419 1Rh 3dyz 0.000998 0.010643 0.000288 -0.000293 0.000420 -0.011579 1Rh 3dx2y2 -0.005285 0.001770 -0.000001 -0.000422 -0.004970 -0.001616 1Rh 3dxy -0.001926 0.004192 0.000563 0.000608 -0.002010 -0.004447 1Rh 4dz2 0.004637 0.006911 -0.000239 0.000309 0.003685 -0.006699 1Rh 4dxz 0.005833 -0.000787 0.000853 -0.000386 0.004976 0.000513 1Rh 4dyz 0.001617 0.017232 0.000498 -0.000416 0.000667 -0.016484 1Rh 4dx2y2 -0.008788 0.002889 0.000038 -0.000548 -0.007548 -0.002312 1Rh 4dxy -0.003205 0.006836 0.000773 0.000765 -0.002951 -0.006326 1Rh 5dz2 0.003997 0.005880 -0.000278 0.000331 0.003173 -0.006335 1Rh 5dxz 0.004801 -0.000865 0.000949 -0.000370 0.004387 0.000626 1Rh 5dyz 0.001414 0.014544 0.000247 -0.000189 0.000511 -0.015311 1Rh 5dx2y2 -0.007326 0.002425 -0.000077 -0.000488 -0.006679 -0.002120 1Rh 5dxy -0.002581 0.005667 0.000676 0.000886 -0.002803 -0.005866 1Rh 1f0 -0.000152 -0.000145 0.000392 0.001460 -0.000121 0.000143 1Rh 1f+1 0.000135 0.000154 0.000752 -0.000181 0.000099 -0.000151 1Rh 1f-1 0.000016 -0.000244 0.002645 0.000475 0.000013 0.000211 1Rh 1f+2 0.000208 -0.000113 -0.001605 0.001783 0.000203 0.000109 1Rh 1f-2 0.000097 0.000341 0.000886 0.001657 0.000067 -0.000330 1Rh 1f+3 0.000228 -0.000041 0.000387 -0.001536 0.000192 0.000020 1Rh 1f-3 0.000146 -0.000246 0.000376 0.000808 0.000129 0.000223 2C 1s -0.000143 -0.000137 0.000191 0.000003 0.042851 -0.045198 2C 2s -0.000286 -0.000282 0.000401 0.000007 0.091802 -0.096838 2C 3s 0.000374 0.000475 -0.000632 -0.000054 -0.139935 0.147337 2C 4s 0.000493 -0.000060 -0.000063 0.000255 -0.163114 0.174574 2C 5s -0.007041 -0.001425 -0.001150 -0.000289 -0.025555 0.012860 2C 1pz 0.001775 0.001743 -0.002429 -0.000032 -0.013570 0.013736 2C 1px -0.004776 -0.004754 0.006607 0.000082 -0.001562 0.001515 2C 1py -0.000729 -0.000736 0.001020 0.000008 -0.009419 0.009567 2C 2pz 0.001206 0.001240 -0.001567 0.000061 -0.010292 0.011457 2C 2px -0.004287 -0.003914 0.005434 0.000118 -0.000905 0.001149 2C 2py -0.000874 -0.000749 0.001098 0.000102 -0.007029 0.007782 2C 3pz -0.000727 0.000020 -0.000608 0.000139 -0.002358 -0.001227 2C 3px -0.000935 -0.000670 0.001318 -0.000140 -0.001028 0.000236 2C 3py -0.000876 -0.000253 0.000130 -0.000146 -0.002291 -0.000153 2C 1dz2 0.000478 0.000469 -0.000612 -0.000010 -0.000761 0.000792 2C 1dxz -0.000738 -0.000724 0.000953 0.000018 -0.000331 0.000351 2C 1dyz 0.000011 0.000013 -0.000031 0.000006 -0.001189 0.001236 2C 1dx2y2 -0.000131 -0.000128 0.000151 0.000008 0.000361 -0.000392 2C 1dxy -0.000566 -0.000555 0.000725 0.000001 -0.000263 0.000266 2C 2dz2 0.000982 0.000875 -0.001231 0.000023 -0.001490 0.001812 2C 2dxz -0.001821 -0.001521 0.002178 0.000006 -0.000536 0.000582 2C 2dyz 0.000147 0.000095 0.000110 0.000029 -0.002139 0.002640 2C 2dx2y2 0.000069 0.000002 0.000152 -0.000038 0.000570 -0.000620 2C 2dxy -0.001332 -0.001137 0.001688 0.000063 -0.000348 0.000454 2C 1f0 0.000459 0.000444 -0.000589 -0.000010 -0.000837 0.000901 2C 1f+1 -0.000442 -0.000438 0.000580 0.000012 -0.000497 0.000554 2C 1f-1 0.000219 0.000221 -0.000293 0.000004 -0.001972 0.002138 2C 1f+2 -0.000156 -0.000139 0.000188 -0.000002 0.002103 -0.002257 2C 1f-2 -0.000667 -0.000657 0.000842 0.000010 -0.001962 0.002078 2C 1f+3 -0.000257 -0.000254 0.000355 0.000001 0.001240 -0.001295 2C 1f-3 0.000134 0.000124 -0.000164 -0.000000 0.000112 -0.000096 3C 1s -0.000090 0.000098 0.000001 -0.000132 0.044139 0.043187 3C 2s -0.000179 0.000203 0.000003 -0.000282 0.094587 0.092556 3C 3s 0.000193 -0.000363 -0.000027 0.000449 -0.144857 -0.141515 3C 4s 0.000706 -0.000107 0.000129 0.000310 -0.165477 -0.164174 3C 5s -0.004823 0.001645 0.000584 -0.001354 -0.030780 -0.016711 3C 1pz 0.001536 -0.001689 -0.000062 0.002311 -0.009375 -0.008872 3C 1px -0.004450 0.004907 0.000184 -0.006704 -0.004627 -0.004318 3C 1py -0.000975 0.001071 0.000036 -0.001467 0.013483 0.012643 3C 2pz 0.001448 -0.001513 -0.000045 0.001971 -0.007037 -0.007086 3C 2px -0.003797 0.003887 0.000199 -0.005258 -0.002911 -0.003053 3C 2py -0.000920 0.000943 0.000030 -0.001124 0.010036 0.010312 3C 3pz -0.000160 0.000000 0.000053 0.000214 -0.001433 0.000747 3C 3px -0.000936 0.000710 -0.000011 -0.001417 -0.002025 -0.000595 3C 3py 0.000475 -0.000100 -0.000272 0.000024 0.003016 -0.000668 3C 1dz2 0.000246 -0.000268 -0.000004 0.000347 0.000242 0.000223 3C 1dxz -0.000296 0.000324 0.000002 -0.000434 -0.000403 -0.000399 3C 1dyz -0.000323 0.000354 0.000012 -0.000462 0.001194 0.001149 3C 1dx2y2 -0.000458 0.000498 0.000017 -0.000635 0.000772 0.000754 3C 1dxy 0.000719 -0.000784 -0.000034 0.001002 0.000714 0.000692 3C 2dz2 0.000552 -0.000536 -0.000045 0.000776 0.000289 0.000387 3C 2dxz -0.000908 0.000797 0.000070 -0.000982 -0.000969 -0.000990 3C 2dyz -0.000868 0.000775 0.000035 -0.000940 0.001388 0.001651 3C 2dx2y2 -0.000980 0.000967 0.000039 -0.001369 0.001296 0.001410 3C 2dxy 0.001385 -0.001323 -0.000040 0.002008 0.001158 0.001272 3C 1f0 0.000015 -0.000016 0.000003 0.000025 0.000170 0.000191 3C 1f+1 0.000073 -0.000071 -0.000004 0.000105 -0.000344 -0.000347 3C 1f-1 -0.000285 0.000317 0.000011 -0.000397 -0.000699 -0.000677 3C 1f+2 -0.000407 0.000443 0.000015 -0.000596 0.002829 0.002794 3C 1f-2 0.000370 -0.000422 -0.000016 0.000541 0.002162 0.002150 3C 1f+3 -0.000405 0.000442 0.000021 -0.000563 -0.001023 -0.001041 3C 1f-3 -0.000536 0.000576 0.000021 -0.000733 0.000209 0.000237 4C 1s -0.000317 -0.000286 0.000394 0.000007 0.016587 -0.016655 4C 2s -0.000664 -0.000597 0.000830 0.000015 0.035826 -0.035974 4C 3s 0.001145 0.000987 -0.001387 -0.000038 -0.059513 0.059470 4C 4s -0.000081 0.000331 -0.000606 0.000173 -0.058006 0.060053 4C 5s 0.002481 0.000751 0.000579 0.000738 -0.005627 0.015617 4C 1pz 0.027166 0.026650 -0.037098 -0.000489 0.056225 -0.059737 4C 1px -0.084577 -0.083053 0.115621 0.001496 0.011080 -0.011795 4C 1py -0.015436 -0.015163 0.021120 0.000264 0.037371 -0.039636 4C 2pz 0.010902 0.008664 -0.012577 0.000016 0.037796 -0.037862 4C 2px -0.035857 -0.028580 0.041785 0.000609 0.007891 -0.007701 4C 2py -0.006734 -0.005386 0.007883 0.000207 0.025228 -0.025141 4C 3pz -0.004018 -0.001130 -0.001419 0.000141 -0.002688 -0.004909 4C 3px 0.004090 0.002833 0.002366 0.000363 -0.001036 -0.000026 4C 3py -0.000959 0.000276 0.000102 0.000237 -0.001736 -0.002902 4C 1dz2 0.003788 0.003631 -0.005136 -0.000080 -0.001692 0.001866 4C 1dxz -0.006482 -0.006205 0.008760 0.000138 -0.001119 0.001295 4C 1dyz 0.000232 0.000230 -0.000331 0.000017 -0.002194 0.002360 4C 1dx2y2 -0.000430 -0.000431 0.000610 0.000033 0.001201 -0.001428 4C 1dxy -0.004907 -0.004705 0.006646 0.000044 -0.000265 0.000231 4C 2dz2 0.002436 0.001151 -0.001219 -0.000053 -0.003344 0.003064 4C 2dxz -0.003539 -0.001471 0.001609 -0.000039 -0.002016 0.001782 4C 2dyz 0.000418 0.000274 -0.000348 -0.000065 -0.003556 0.003155 4C 2dx2y2 -0.000661 -0.000359 0.000358 0.000046 0.002908 -0.002683 4C 2dxy -0.002973 -0.001317 0.001407 0.000059 0.000108 -0.000144 4C 1f0 -0.000201 -0.000198 0.000222 -0.000017 0.000115 -0.000108 4C 1f+1 0.000034 0.000063 -0.000032 0.000021 0.000149 -0.000127 4C 1f-1 0.000441 0.000337 -0.000462 0.000012 0.001089 -0.001076 4C 1f+2 0.000829 0.000677 -0.000897 -0.000001 -0.000422 0.000397 4C 1f-2 -0.000588 -0.000420 0.000637 -0.000001 0.000429 -0.000424 4C 1f+3 0.000853 0.000718 -0.000933 -0.000034 0.000149 -0.000145 4C 1f-3 0.000930 0.000751 -0.001016 -0.000023 -0.000115 0.000134 5C 1s -0.000083 0.000085 -0.000009 -0.000107 0.017034 0.015864 5C 2s -0.000177 0.000180 -0.000019 -0.000230 0.036784 0.034261 5C 3s 0.000287 -0.000224 -0.000031 0.000235 -0.060494 -0.055990 5C 4s 0.000078 -0.000548 0.000492 0.001258 -0.062660 -0.060611 5C 5s 0.002552 -0.000601 0.000716 0.001384 -0.003455 -0.013008 5C 1pz 0.025405 -0.027669 -0.001054 0.037798 0.033811 0.033283 5C 1px -0.078907 0.085949 0.003285 -0.117468 0.021776 0.021451 5C 1py -0.014420 0.015704 0.000597 -0.021442 -0.057822 -0.056965 5C 2pz 0.010648 -0.009426 -0.000308 0.013433 0.022934 0.021302 5C 2px -0.033267 0.029365 0.001215 -0.041614 0.014713 0.013626 5C 2py -0.006214 0.005481 0.000091 -0.007871 -0.039447 -0.036644 5C 3pz -0.002339 0.001552 0.000632 0.000229 -0.002296 0.001710 5C 3px 0.003703 -0.003072 0.000280 -0.002613 -0.001909 0.000745 5C 3py 0.002142 -0.001237 -0.000983 0.000476 0.004201 -0.002926 5C 1dz2 0.002162 -0.002291 -0.000061 0.003170 0.000218 0.000139 5C 1dxz -0.003138 0.003331 0.000083 -0.004609 -0.001137 -0.001228 5C 1dyz -0.002784 0.002962 0.000116 -0.004101 0.001866 0.001827 5C 1dx2y2 -0.003593 0.003818 0.000147 -0.005293 0.002055 0.002169 5C 1dxy 0.005952 -0.006320 -0.000275 0.008748 0.001552 0.001582 5C 2dz2 0.001132 -0.000495 -0.000106 0.000395 0.000063 0.000135 5C 2dxz -0.001723 0.000827 0.000013 -0.000868 -0.002224 -0.001808 5C 2dyz -0.001464 0.000651 -0.000010 -0.000635 0.002873 0.002428 5C 2dx2y2 -0.001950 0.000850 0.000114 -0.000642 0.003843 0.003204 5C 2dxy 0.003293 -0.001519 -0.000026 0.001449 0.002897 0.002499 5C 1f0 -0.000681 0.000613 0.000040 -0.000794 -0.000757 -0.000707 5C 1f+1 0.000706 -0.000632 -0.000051 0.000827 -0.000087 -0.000092 5C 1f-1 -0.000275 0.000214 -0.000004 -0.000305 -0.000050 -0.000041 5C 1f+2 0.000334 -0.000346 -0.000027 0.000410 -0.000761 -0.000698 5C 1f-2 0.000958 -0.000829 -0.000013 0.001127 -0.000597 -0.000537 5C 1f+3 0.000593 -0.000573 -0.000005 0.000689 0.000584 0.000530 5C 1f-3 -0.000020 -0.000039 0.000014 0.000002 -0.000170 -0.000144 6C 1s 0.000080 -0.000081 -0.000013 -0.000104 0.016896 0.015522 6C 2s 0.000171 -0.000171 -0.000027 -0.000226 0.036487 0.033522 6C 3s -0.000278 0.000216 -0.000023 0.000229 -0.060016 -0.054784 6C 4s -0.000079 0.000498 0.000524 0.001256 -0.062076 -0.059264 6C 5s -0.002609 0.000565 0.000699 0.001379 -0.003349 -0.012758 6C 1pz 0.025312 -0.027374 0.000066 -0.038142 -0.033514 -0.032515 6C 1px -0.078561 0.084968 -0.000218 0.118447 -0.021593 -0.020977 6C 1py -0.014339 0.015505 -0.000036 0.021594 0.057300 0.055704 6C 2pz 0.010627 -0.009318 -0.000015 -0.013557 -0.022743 -0.020805 6C 2px -0.033158 0.029022 -0.000211 0.041966 -0.014602 -0.013330 6C 2py -0.006195 0.005401 0.000098 0.007930 0.039106 0.035830 6C 3pz -0.002351 0.001593 -0.000604 -0.000220 0.002267 -0.001724 6C 3px 0.003707 -0.003087 -0.000370 0.002548 0.001903 -0.000789 6C 3py 0.002150 -0.001292 0.000969 -0.000470 -0.004196 0.003085 6C 1dz2 -0.002154 0.002264 0.000020 0.003197 0.000217 0.000138 6C 1dxz 0.003122 -0.003287 -0.000035 -0.004642 -0.001127 -0.001200 6C 1dyz 0.002772 -0.002929 0.000011 -0.004136 0.001849 0.001785 6C 1dx2y2 0.003577 -0.003773 0.000012 -0.005336 0.002033 0.002118 6C 1dxy -0.005927 0.006250 -0.000051 0.008822 0.001539 0.001548 6C 2dz2 -0.001136 0.000503 -0.000095 0.000408 0.000067 0.000113 6C 2dxz 0.001729 -0.000821 -0.000010 -0.000889 -0.002196 -0.001766 6C 2dyz 0.001463 -0.000643 -0.000027 -0.000642 0.002848 0.002387 6C 2dx2y2 0.001948 -0.000853 0.000094 -0.000653 0.003819 0.003120 6C 2dxy -0.003291 0.001500 0.000015 0.001468 0.002860 0.002425 6C 1f0 -0.000679 0.000607 -0.000019 0.000802 0.000750 0.000689 6C 1f+1 0.000703 -0.000626 0.000029 -0.000834 0.000087 0.000089 6C 1f-1 -0.000275 0.000211 0.000011 0.000309 0.000051 0.000039 6C 1f+2 0.000333 -0.000344 0.000014 -0.000415 0.000754 0.000684 6C 1f-2 0.000955 -0.000818 -0.000015 -0.001137 0.000593 0.000527 6C 1f+3 0.000593 -0.000568 -0.000015 -0.000698 -0.000579 -0.000520 6C 1f-3 -0.000020 -0.000037 -0.000016 -0.000001 0.000170 0.000143 7C 1s 0.000317 0.000270 0.000413 0.000008 0.016288 -0.015912 7C 2s 0.000663 0.000564 0.000869 0.000018 0.035181 -0.034369 7C 3s -0.001147 -0.000933 -0.001457 -0.000044 -0.058440 0.056803 7C 4s 0.000109 -0.000297 -0.000602 0.000182 -0.056935 0.057385 7C 5s -0.002519 -0.000773 0.000534 0.000734 -0.005365 0.015063 7C 1pz 0.026735 0.024887 0.038548 0.000645 -0.055033 0.056872 7C 1px -0.083307 -0.077628 -0.120250 -0.001984 -0.010787 0.011165 7C 1py -0.015182 -0.014152 -0.021935 -0.000353 -0.036812 0.037996 7C 2pz 0.010768 0.008073 0.013085 0.000032 -0.037009 0.036030 7C 2px -0.035435 -0.026615 -0.043471 -0.000764 -0.007695 0.007281 7C 2py -0.006649 -0.005007 -0.008190 -0.000235 -0.024842 0.024072 7C 3pz -0.004032 -0.001220 0.001312 -0.000141 0.002718 0.004959 7C 3px 0.004133 0.002954 -0.002164 -0.000360 0.001083 -0.000037 7C 3py -0.000970 0.000263 -0.000101 -0.000240 0.001753 0.003024 7C 1dz2 -0.003722 -0.003382 -0.005327 -0.000101 -0.001646 0.001766 7C 1dxz 0.006380 0.005787 0.009098 0.000174 -0.001088 0.001226 7C 1dyz -0.000235 -0.000220 -0.000352 0.000016 -0.002158 0.002259 7C 1dx2y2 0.000415 0.000395 0.000623 0.000035 0.001185 -0.001370 7C 1dxy 0.004846 0.004405 0.006926 0.000071 -0.000261 0.000221 7C 2dz2 -0.002425 -0.001090 -0.001298 -0.000057 -0.003246 0.002892 7C 2dxz 0.003528 0.001393 0.001721 -0.000036 -0.001957 0.001674 7C 2dyz -0.000419 -0.000256 -0.000364 -0.000065 -0.003500 0.003009 7C 2dx2y2 0.000658 0.000343 0.000381 0.000049 0.002832 -0.002512 7C 2dxy 0.002977 0.001255 0.001514 0.000063 0.000085 -0.000111 7C 1f0 -0.000202 -0.000190 -0.000237 0.000016 -0.000108 0.000100 7C 1f+1 0.000037 0.000065 0.000040 -0.000020 -0.000147 0.000127 7C 1f-1 0.000438 0.000316 0.000484 -0.000010 -0.001070 0.001030 7C 1f+2 0.000821 0.000635 0.000939 0.000004 0.000425 -0.000393 7C 1f-2 -0.000583 -0.000391 -0.000664 -0.000001 -0.000421 0.000403 7C 1f+3 0.000842 0.000672 0.000972 0.000038 -0.000149 0.000141 7C 1f-3 0.000918 0.000702 0.001058 0.000028 0.000106 -0.000118 8C 1s 0.000091 -0.000098 -0.000003 -0.000136 0.043751 0.042225 8C 2s 0.000181 -0.000204 -0.000005 -0.000289 0.093754 0.090494 8C 3s -0.000192 0.000363 -0.000012 0.000457 -0.143582 -0.138364 8C 4s -0.000729 0.000103 0.000128 0.000330 -0.164010 -0.160498 8C 5s 0.004897 -0.001684 0.000589 -0.001318 -0.030583 -0.016176 8C 1pz 0.001532 -0.001673 0.000001 -0.002334 0.009288 0.008674 8C 1px -0.004429 0.004850 -0.000008 0.006758 0.004572 0.004208 8C 1py -0.000972 0.001060 0.000002 0.001482 -0.013387 -0.012382 8C 2pz 0.001445 -0.001496 -0.000010 -0.001991 0.006968 0.006932 8C 2px -0.003779 0.003844 -0.000061 0.005301 0.002887 0.002993 8C 2py -0.000923 0.000935 0.000004 0.001141 -0.009972 -0.010098 8C 3pz -0.000159 0.000002 -0.000052 -0.000228 0.001441 -0.000777 8C 3px -0.000941 0.000703 0.000024 0.001434 0.001968 0.000505 8C 3py 0.000480 -0.000113 0.000280 -0.000011 -0.003030 0.000654 8C 1dz2 -0.000246 0.000266 0.000005 0.000351 0.000239 0.000216 8C 1dxz 0.000295 -0.000320 -0.000009 -0.000438 -0.000399 -0.000391 8C 1dyz 0.000321 -0.000350 -0.000001 -0.000466 0.001182 0.001123 8C 1dx2y2 0.000457 -0.000493 -0.000001 -0.000642 0.000763 0.000736 8C 1dxy -0.000715 0.000775 -0.000006 0.001009 0.000707 0.000676 8C 2dz2 -0.000547 0.000528 -0.000027 0.000783 0.000285 0.000377 8C 2dxz 0.000903 -0.000790 0.000044 -0.000991 -0.000949 -0.000956 8C 2dyz 0.000872 -0.000771 0.000010 -0.000952 0.001390 0.001634 8C 2dx2y2 0.000974 -0.000954 0.000005 -0.001379 0.001294 0.001386 8C 2dxy -0.001382 0.001307 0.000005 0.002025 0.001144 0.001240 8C 1f0 0.000015 -0.000015 -0.000004 -0.000026 -0.000161 -0.000180 8C 1f+1 0.000074 -0.000071 0.000002 -0.000107 0.000308 0.000308 8C 1f-1 -0.000284 0.000314 0.000000 0.000401 0.000686 0.000654 8C 1f+2 -0.000405 0.000438 0.000001 0.000602 -0.002795 -0.002723 8C 1f-2 0.000368 -0.000417 0.000000 -0.000545 -0.002167 -0.002126 8C 1f+3 -0.000403 0.000437 -0.000006 0.000567 0.000999 0.001004 8C 1f-3 -0.000534 0.000570 -0.000001 0.000740 -0.000222 -0.000246 9C 1s 0.000142 0.000128 0.000199 0.000004 0.042033 -0.043129 9C 2s 0.000283 0.000264 0.000418 0.000008 0.090049 -0.092405 9C 3s -0.000365 -0.000447 -0.000657 -0.000055 -0.137263 0.140592 9C 4s -0.000516 0.000052 -0.000087 0.000251 -0.159969 0.166555 9C 5s 0.007151 0.001528 -0.000986 -0.000280 -0.025302 0.011985 9C 1pz 0.001748 0.001628 0.002525 0.000042 0.013317 -0.013117 9C 1px -0.004704 -0.004445 -0.006872 -0.000110 0.001518 -0.001431 9C 1py -0.000715 -0.000686 -0.001058 -0.000012 0.009236 -0.009123 9C 2pz 0.001196 0.001175 0.001647 -0.000051 0.010110 -0.010951 9C 2px -0.004229 -0.003655 -0.005656 -0.000137 0.000896 -0.001120 9C 2py -0.000858 -0.000689 -0.001135 -0.000107 0.006874 -0.007403 9C 3pz -0.000737 -0.000013 0.000603 -0.000140 0.002378 0.001228 9C 3px -0.000924 -0.000618 -0.001370 0.000131 0.000971 -0.000121 9C 3py -0.000873 -0.000252 -0.000149 0.000148 0.002332 0.000138 9C 1dz2 -0.000469 -0.000439 -0.000636 -0.000013 -0.000739 0.000749 9C 1dxz 0.000725 0.000677 0.000990 0.000022 -0.000316 0.000327 9C 1dyz -0.000013 -0.000014 -0.000033 0.000006 -0.001169 0.001181 9C 1dx2y2 0.000127 0.000120 0.000156 0.000009 0.000354 -0.000375 9C 1dxy 0.000563 0.000525 0.000762 0.000005 -0.000263 0.000259 9C 2dz2 -0.000971 -0.000819 -0.001282 0.000018 -0.001464 0.001736 9C 2dxz 0.001802 0.001420 0.002263 0.000012 -0.000539 0.000559 9C 2dyz -0.000153 -0.000105 0.000097 0.000028 -0.002103 0.002537 9C 2dx2y2 -0.000069 -0.000007 0.000151 -0.000038 0.000578 -0.000608 9C 2dxy 0.001311 0.001056 0.001761 0.000068 -0.000324 0.000418 9C 1f0 0.000449 0.000414 0.000611 0.000012 0.000811 -0.000850 9C 1f+1 -0.000433 -0.000409 -0.000601 -0.000015 0.000494 -0.000536 9C 1f-1 0.000218 0.000209 0.000308 -0.000002 0.001916 -0.002022 9C 1f+2 -0.000151 -0.000128 -0.000195 0.000001 -0.002115 0.002207 9C 1f-2 -0.000660 -0.000619 -0.000882 -0.000013 0.001898 -0.001956 9C 1f+3 -0.000257 -0.000239 -0.000373 -0.000002 -0.001189 0.001208 9C 1f-3 0.000132 0.000117 0.000170 0.000001 -0.000165 0.000148 10H 1s -0.001405 -0.001417 0.001953 0.000026 -0.033909 0.035865 10H 2s -0.001678 -0.001325 0.001919 0.000013 -0.035661 0.037969 10H 3s 0.000892 -0.000331 0.000060 0.000203 -0.004735 0.005651 10H 1pz -0.000308 -0.000300 0.000401 0.000006 -0.002836 0.002959 10H 1px 0.000104 0.000065 -0.000146 0.000005 0.003983 -0.004203 10H 1py -0.000210 -0.000215 0.000288 -0.000005 -0.000989 0.001016 11H 1s 0.000555 0.000580 -0.000830 -0.000001 -0.034843 0.036890 11H 2s 0.001122 0.000886 -0.000726 -0.000002 -0.036930 0.039510 11H 3s 0.000978 0.000399 0.000119 0.000184 -0.005565 0.006413 11H 1pz 0.000248 0.000246 -0.000257 0.000002 -0.003405 0.003571 11H 1px -0.000016 -0.000024 0.000076 -0.000003 -0.003281 0.003489 11H 1py -0.000080 -0.000078 0.000110 -0.000004 0.002054 -0.002209 12H 1s 0.000986 0.001017 -0.001439 -0.000033 -0.034547 0.036562 12H 2s 0.001696 0.001350 -0.001352 0.000004 -0.036563 0.039062 12H 3s 0.000857 0.000512 0.000158 -0.000134 -0.005977 0.006886 12H 1pz 0.000092 0.000097 -0.000083 0.000000 0.000813 -0.000902 12H 1px -0.000015 -0.000026 0.000077 0.000001 -0.002146 0.002283 12H 1py 0.000345 0.000334 -0.000385 -0.000005 -0.004556 0.004797 13H 1s -0.001282 0.001433 0.000063 -0.001952 -0.035005 -0.034349 13H 2s -0.001503 0.001289 0.000027 -0.001777 -0.037628 -0.037183 13H 3s 0.000687 0.000383 0.000152 0.000093 -0.003843 -0.004347 13H 1pz -0.000253 0.000261 0.000001 -0.000377 -0.003578 -0.003478 13H 1px -0.000009 0.000051 0.000001 -0.000021 0.003413 0.003354 13H 1py 0.000248 -0.000275 -0.000013 0.000342 0.002069 0.001997 14H 1s 0.001009 -0.001151 -0.000057 0.001596 -0.035416 -0.034767 14H 2s 0.001744 -0.001607 -0.000036 0.001682 -0.037421 -0.037057 14H 3s 0.000575 -0.000507 -0.000149 0.000027 -0.005452 -0.005879 14H 1pz 0.000319 -0.000357 -0.000010 0.000437 -0.002754 -0.002670 14H 1px 0.000177 -0.000182 -0.000008 0.000185 -0.004465 -0.004379 14H 1py -0.000102 0.000121 0.000002 -0.000105 -0.000515 -0.000540 15H 1s 0.000362 -0.000417 -0.000008 0.000594 -0.036050 -0.035405 15H 2s 0.000733 -0.000661 -0.000040 0.000487 -0.038260 -0.037948 15H 3s 0.000690 -0.000388 0.000125 0.000117 -0.005564 -0.005950 15H 1pz -0.000019 0.000016 0.000003 -0.000014 0.003222 0.003202 15H 1px -0.000113 0.000132 -0.000004 -0.000192 -0.001058 -0.001034 15H 1py -0.000171 0.000192 0.000003 -0.000180 0.004255 0.004149 16H 1s 0.002249 -0.000123 -0.000184 -0.000394 -0.000322 -0.000176 16H 2s 0.001906 -0.000534 -0.000969 -0.000508 -0.000364 -0.000572 16H 3s -0.000048 -0.000553 0.000781 -0.000163 0.000294 -0.000517 16H 1pz 0.000385 -0.000043 -0.000169 -0.000133 -0.000058 -0.000061 16H 1px 0.000066 0.000113 -0.000144 -0.000009 -0.000065 0.000079 16H 1py 0.000131 0.000017 -0.000100 0.000011 -0.000033 0.000001 17H 1s 0.002291 0.000078 -0.000489 -0.000152 -0.000376 0.000188 17H 2s 0.001991 0.000404 -0.000493 -0.000889 -0.000442 0.000269 17H 3s 0.000021 0.000358 -0.000246 0.000741 0.000307 0.000550 17H 1pz -0.000286 0.000013 0.000121 0.000160 0.000071 0.000016 17H 1px -0.000207 -0.000098 0.000105 -0.000027 -0.000013 -0.000068 17H 1py 0.000187 -0.000017 -0.000023 -0.000099 -0.000048 -0.000007 18H 1s -0.002285 -0.000055 -0.000509 -0.000153 -0.000371 0.000182 18H 2s -0.001984 -0.000350 -0.000530 -0.000871 -0.000441 0.000253 18H 3s -0.000018 -0.000343 -0.000285 0.000735 0.000309 0.000545 18H 1pz -0.000290 0.000018 -0.000124 -0.000158 -0.000073 -0.000014 18H 1px -0.000205 -0.000089 -0.000115 0.000029 0.000013 0.000065 18H 1py 0.000178 -0.000021 0.000022 0.000093 0.000047 0.000012 19H 1s -0.002246 0.000132 -0.000189 -0.000387 -0.000327 -0.000167 19H 2s -0.001902 0.000594 -0.000960 -0.000490 -0.000371 -0.000567 19H 3s 0.000034 0.000521 0.000807 -0.000136 0.000282 -0.000491 19H 1pz 0.000382 -0.000051 0.000168 0.000126 0.000058 0.000059 19H 1px 0.000061 0.000107 0.000148 0.000012 0.000064 -0.000078 19H 1py 0.000139 0.000009 0.000106 -0.000009 0.000034 0.000003 20H 1s -0.000371 0.000424 0.000007 0.000617 -0.035730 -0.034614 20H 2s -0.000750 0.000674 -0.000019 0.000508 -0.037927 -0.037109 20H 3s -0.000701 0.000388 0.000138 0.000114 -0.005514 -0.005828 20H 1pz -0.000021 0.000017 -0.000003 0.000017 -0.003198 -0.003136 20H 1px -0.000111 0.000128 0.000009 0.000192 0.001087 0.001049 20H 1py -0.000174 0.000194 0.000004 0.000186 -0.004207 -0.004045 21H 1s -0.000997 0.001131 -0.000015 0.001599 -0.035110 -0.033997 21H 2s -0.001731 0.001584 0.000017 0.001684 -0.037111 -0.036251 21H 3s -0.000584 0.000512 -0.000132 0.000021 -0.005359 -0.005696 21H 1pz 0.000317 -0.000354 -0.000003 -0.000440 0.002758 0.002638 21H 1px 0.000173 -0.000177 0.000002 -0.000182 0.004412 0.004270 21H 1py -0.000100 0.000118 0.000002 0.000104 0.000522 0.000540 22H 1s 0.001279 -0.001420 0.000011 -0.001972 -0.034690 -0.033576 22H 2s 0.001502 -0.001276 -0.000014 -0.001803 -0.037278 -0.036335 22H 3s -0.000709 -0.000383 0.000120 0.000097 -0.003848 -0.004296 22H 1pz -0.000252 0.000257 0.000008 0.000379 0.003521 0.003375 22H 1px -0.000007 0.000050 0.000001 0.000019 -0.003392 -0.003289 22H 1py 0.000248 -0.000274 0.000003 -0.000348 -0.002071 -0.001972 23H 1s -0.000955 -0.000935 -0.001472 -0.000038 -0.033901 0.034903 23H 2s -0.001665 -0.001277 -0.001407 -0.000002 -0.035870 0.037287 23H 3s -0.000886 -0.000517 0.000121 -0.000140 -0.005865 0.006587 23H 1pz 0.000088 0.000090 0.000084 0.000001 -0.000817 0.000883 23H 1px -0.000020 -0.000028 -0.000086 -0.000002 0.002039 -0.002112 23H 1py 0.000339 0.000314 0.000398 0.000007 0.004497 -0.004606 24H 1s -0.000565 -0.000559 -0.000891 -0.000005 -0.034161 0.035183 24H 2s -0.001148 -0.000879 -0.000808 -0.000007 -0.036203 0.037694 24H 3s -0.000996 -0.000417 0.000087 0.000185 -0.005414 0.006063 24H 1pz 0.000251 0.000240 0.000278 -0.000000 0.003323 -0.003391 24H 1px -0.000009 -0.000015 -0.000071 0.000003 0.003265 -0.003380 24H 1py -0.000079 -0.000074 -0.000115 0.000004 -0.001974 0.002067 25H 1s 0.001387 0.001329 0.002036 0.000035 -0.033268 0.034229 25H 2s 0.001654 0.001232 0.001998 0.000020 -0.034987 0.036231 25H 3s -0.000914 0.000321 0.000056 0.000202 -0.004668 0.005472 25H 1pz -0.000305 -0.000282 -0.000422 -0.000008 0.002804 -0.002846 25H 1px 0.000102 0.000057 0.000149 -0.000005 -0.003900 0.004001 25H 1py -0.000203 -0.000199 -0.000295 0.000004 0.000932 -0.000930 26O 1s 0.036247 0.035098 -0.048594 -0.000630 -0.008939 0.009687 26O 2s 0.085944 0.083244 -0.115236 -0.001493 -0.021342 0.023147 26O 3s -0.124825 -0.121042 0.167418 0.002168 0.032140 -0.035073 26O 4s -0.169176 -0.163814 0.226338 0.002963 0.043789 -0.046760 26O 5s -0.057577 -0.065321 0.095111 0.000735 0.021986 -0.026551 26O 1pz 0.001955 0.002453 -0.004404 0.000298 0.018265 -0.018306 26O 1px 0.028794 0.028275 -0.039632 -0.000293 0.005832 -0.004877 26O 1py 0.011924 0.012036 -0.017458 -0.000798 0.013114 -0.012702 26O 2pz -0.000467 0.000598 -0.001125 0.000355 0.016496 -0.016261 26O 2px 0.024202 0.025379 -0.035768 -0.000230 0.004709 -0.003564 26O 2py 0.008562 0.009702 -0.013856 -0.000765 0.011803 -0.011137 26O 3pz 0.004263 0.001742 0.004145 0.000564 0.004030 -0.003406 26O 3px 0.000928 0.005215 -0.003058 0.000597 0.002198 -0.000214 26O 3py 0.003160 0.003128 0.001445 -0.000631 0.003024 -0.002089 26O 1dz2 0.000869 0.000848 -0.001289 0.000014 0.000054 -0.000032 26O 1dxz -0.000534 -0.000545 0.000705 0.000012 -0.000596 0.000592 26O 1dyz -0.000244 -0.000246 0.000155 -0.000018 -0.000290 0.000271 26O 1dx2y2 -0.001022 -0.000989 0.001431 0.000028 0.000136 -0.000177 26O 1dxy -0.001333 -0.001314 0.001784 0.000039 -0.000357 0.000307 26O 2dz2 0.001842 0.002048 -0.002476 0.000045 0.000283 -0.000127 26O 2dxz -0.002188 -0.001991 0.003029 0.000099 -0.001870 0.002041 26O 2dyz -0.001532 -0.001602 0.002761 0.000000 -0.000453 0.000494 26O 2dx2y2 -0.001948 -0.002373 0.002978 0.000107 0.000543 -0.000823 26O 2dxy -0.003575 -0.003836 0.005387 0.000042 -0.000989 0.000882 26O 1f0 -0.000386 -0.000391 0.000539 -0.000001 -0.000299 0.000301 26O 1f+1 -0.000642 -0.000651 0.000900 0.000017 0.000222 -0.000250 26O 1f-1 -0.000526 -0.000572 0.000753 0.000010 0.000123 -0.000181 26O 1f+2 0.000502 0.000519 -0.000713 -0.000010 0.000153 -0.000141 26O 1f-2 0.000162 0.000158 -0.000220 -0.000010 0.000438 -0.000457 26O 1f+3 -0.000086 -0.000099 0.000127 0.000001 0.000300 -0.000329 26O 1f-3 -0.000797 -0.000814 0.001118 0.000009 -0.000079 0.000053 27O 1s 0.033916 -0.036412 -0.001399 0.049452 -0.009251 -0.009298 27O 2s 0.080399 -0.086343 -0.003317 0.117247 -0.022080 -0.022213 27O 3s -0.116573 0.125374 0.004803 -0.170091 0.033112 0.033555 27O 4s -0.159097 0.170578 0.006645 -0.231346 0.046063 0.045429 27O 5s -0.053252 0.067530 0.001765 -0.096608 0.023265 0.026644 27O 1pz -0.002262 0.002126 -0.000497 -0.002259 0.010883 0.010189 27O 1px 0.028911 -0.031561 -0.001339 0.043610 0.009204 0.007545 27O 1py -0.005249 0.006250 -0.000133 -0.009586 -0.018921 -0.017447 27O 2pz -0.003138 0.002945 -0.000464 -0.003808 0.009938 0.009159 27O 2px 0.024026 -0.028136 -0.001149 0.039099 0.007368 0.005514 27O 2py -0.002512 0.004008 -0.000263 -0.005898 -0.016875 -0.015250 27O 3pz 0.002812 -0.000788 -0.000955 -0.002801 0.002097 0.001999 27O 3px 0.002411 -0.006421 -0.000014 0.003755 0.002143 0.000251 27O 3py -0.004427 0.002861 -0.000390 0.002908 -0.004227 -0.003576 27O 1dz2 0.000864 -0.000940 -0.000071 0.001255 0.000218 0.000164 27O 1dxz 0.000012 0.000004 0.000002 0.000054 -0.000398 -0.000377 27O 1dyz 0.000020 -0.000023 0.000011 -0.000139 0.000013 -0.000004 27O 1dx2y2 -0.001340 0.001446 0.000042 -0.002080 -0.000019 0.000033 27O 1dxy 0.000859 -0.000954 -0.000027 0.001201 0.000661 0.000592 27O 2dz2 0.002517 -0.003063 -0.000167 0.004208 0.000223 0.000076 27O 2dxz -0.000724 0.000575 -0.000042 -0.001041 -0.001211 -0.001284 27O 2dyz 0.000424 -0.000603 0.000034 0.001265 -0.000292 -0.000296 27O 2dx2y2 -0.002912 0.003685 0.000056 -0.004626 0.000138 0.000398 27O 2dxy 0.003097 -0.003403 -0.000154 0.004991 0.001880 0.001825 27O 1f0 0.000044 -0.000079 0.000001 0.000084 -0.000271 -0.000291 27O 1f+1 -0.000639 0.000719 0.000019 -0.000972 -0.000016 0.000005 27O 1f-1 0.000215 -0.000249 -0.000017 0.000328 0.000115 0.000097 27O 1f+2 0.000288 -0.000340 -0.000009 0.000441 0.000150 0.000119 27O 1f-2 0.000246 -0.000286 -0.000009 0.000388 -0.000201 -0.000205 27O 1f+3 -0.000644 0.000746 0.000031 -0.000999 0.000376 0.000401 27O 1f-3 0.000735 -0.000831 -0.000031 0.001125 0.000401 0.000365 28O 1s -0.036569 -0.035360 0.048958 0.000636 -0.009236 0.009998 28O 2s -0.086690 -0.083849 0.116076 0.001508 -0.022041 0.023880 28O 3s 0.125735 0.121741 -0.168419 -0.002178 0.033026 -0.036012 28O 4s 0.171074 0.165407 -0.228453 -0.003008 0.046030 -0.049078 28O 5s 0.058914 0.066044 -0.095420 -0.001371 0.022292 -0.026849 28O 1pz -0.019539 -0.019629 0.028343 0.000019 0.019607 -0.019075 28O 1px 0.025248 0.024553 -0.034056 -0.000663 0.001726 -0.002621 28O 1py -0.002180 -0.002518 0.004171 0.000615 0.012429 -0.012336 28O 2pz -0.014830 -0.016363 0.023288 -0.000027 0.017123 -0.016198 28O 2px 0.022001 0.022652 -0.031681 -0.000621 0.002267 -0.003255 28O 2py -0.000518 -0.001227 0.001894 0.000598 0.011202 -0.010883 28O 3pz -0.005376 -0.005135 -0.001296 -0.000464 0.005216 -0.004418 28O 3px 0.000435 0.004237 -0.004788 -0.000627 -0.000076 -0.001085 28O 3py -0.003048 -0.001427 -0.002575 0.000753 0.002967 -0.002924 28O 1dz2 0.000433 0.000437 -0.000496 -0.000025 -0.000477 0.000466 28O 1dxz -0.001695 -0.001659 0.002358 0.000012 0.000319 -0.000261 28O 1dyz 0.000292 0.000294 -0.000227 0.000004 -0.000326 0.000302 28O 1dx2y2 0.000868 0.000838 -0.001216 -0.000040 0.000205 -0.000248 28O 1dxy -0.000314 -0.000318 0.000482 0.000018 0.000341 -0.000342 28O 2dz2 0.001902 0.001811 -0.002875 -0.000138 -0.001502 0.001643 28O 2dxz -0.004330 -0.004658 0.006209 0.000062 0.000882 -0.000725 28O 2dyz 0.001855 0.001918 -0.003171 0.000007 -0.000527 0.000579 28O 2dx2y2 0.001537 0.001920 -0.002374 -0.000083 0.000866 -0.001126 28O 2dxy -0.001275 -0.001131 0.001519 -0.000015 0.001152 -0.001244 28O 1f0 0.000310 0.000317 -0.000437 -0.000009 0.000294 -0.000318 28O 1f+1 0.000832 0.000842 -0.001157 -0.000013 -0.000343 0.000338 28O 1f-1 0.000186 0.000220 -0.000282 -0.000002 0.000312 -0.000358 28O 1f+2 -0.000853 -0.000885 0.001204 0.000022 -0.000210 0.000260 28O 1f-2 0.000412 0.000429 -0.000573 -0.000007 -0.000256 0.000239 28O 1f+3 -0.000188 -0.000189 0.000261 -0.000007 -0.000230 0.000246 28O 1f-3 0.000311 0.000307 -0.000435 -0.000004 -0.000124 0.000132 29O 1s -0.002462 0.000013 0.000463 0.000399 0.000314 -0.000013 29O 2s -0.005803 0.000028 0.001101 0.000947 0.000756 -0.000033 29O 3s 0.007933 -0.000010 -0.001663 -0.001385 -0.001183 0.000069 29O 4s 0.014665 -0.000221 -0.002081 -0.001987 -0.001983 -0.000027 29O 5s -0.004402 0.000380 -0.000146 0.000174 0.001169 0.000373 29O 1pz -0.000612 0.000127 -0.000227 0.000313 0.000297 0.000272 29O 1px 0.001369 0.000027 -0.000312 -0.000073 -0.000940 0.000114 29O 1py -0.001622 0.000014 0.000130 -0.000011 0.000244 -0.000014 29O 2pz -0.000479 0.000101 -0.000266 0.000226 0.000324 0.000218 29O 2px 0.001102 0.000007 -0.000159 0.000091 -0.001051 0.000143 29O 2py -0.001434 0.000024 0.000109 0.000036 0.000156 -0.000013 29O 3pz -0.001260 -0.000565 -0.001220 0.000816 0.000529 -0.000516 29O 3px 0.003621 -0.000279 -0.000403 0.000210 -0.001387 -0.000198 29O 3py 0.000712 0.000013 -0.001035 -0.001453 -0.000158 -0.000152 29O 1dz2 0.000052 -0.000007 0.000001 -0.000019 0.000001 -0.000011 29O 1dxz 0.000017 0.000001 -0.000032 0.000004 0.000015 0.000000 29O 1dyz 0.000014 -0.000022 -0.000005 0.000009 -0.000000 -0.000028 29O 1dx2y2 0.000029 -0.000003 0.000001 0.000016 -0.000029 0.000000 29O 1dxy -0.000073 -0.000008 -0.000003 -0.000010 0.000012 -0.000014 29O 2dz2 0.000216 0.000007 -0.000069 0.000032 -0.000102 0.000020 29O 2dxz 0.000239 -0.000019 0.000162 -0.000065 -0.000139 0.000008 29O 2dyz 0.000076 0.000026 0.000085 -0.000149 -0.000042 0.000020 29O 2dx2y2 -0.000269 -0.000001 -0.000009 -0.000123 0.000183 -0.000015 29O 2dxy -0.000255 0.000011 0.000172 0.000156 0.000132 0.000005 29O 1f0 -0.000066 -0.000004 0.000003 0.000002 0.000012 -0.000005 29O 1f+1 0.000025 -0.000007 0.000014 -0.000012 -0.000006 -0.000002 29O 1f-1 -0.000075 -0.000005 0.000001 0.000009 0.000012 -0.000007 29O 1f+2 0.000035 0.000006 -0.000017 0.000006 -0.000004 0.000005 29O 1f-2 -0.000046 0.000009 0.000015 0.000006 0.000008 0.000005 29O 1f+3 0.000032 -0.000006 0.000001 -0.000010 -0.000001 -0.000003 29O 1f-3 0.000028 -0.000006 0.000006 0.000017 -0.000007 -0.000003 30O 1s -0.034080 0.036581 0.001381 -0.049667 -0.009476 -0.009520 30O 2s -0.080794 0.086744 0.003276 -0.117762 -0.022614 -0.022739 30O 3s 0.117193 -0.125933 -0.004753 0.170889 0.033856 0.034292 30O 4s 0.159416 -0.171282 -0.006404 0.231796 0.047294 0.046635 30O 5s 0.054728 -0.067712 -0.003415 0.097209 0.023237 0.026471 30O 1pz -0.014031 0.015533 0.001167 -0.021917 0.012363 0.011023 30O 1px 0.021550 -0.023157 -0.000760 0.031289 0.005190 0.005590 30O 1py 0.014533 -0.016323 -0.000235 0.023354 -0.019920 -0.018072 30O 2pz -0.010895 0.013144 0.001091 -0.018383 0.010659 0.009157 30O 2px 0.019320 -0.021810 -0.000729 0.030001 0.005414 0.005808 30O 2py 0.010530 -0.013146 -0.000118 0.018548 -0.017351 -0.015313 30O 3pz -0.002423 0.003695 0.001043 0.000748 0.003284 0.002313 30O 3px -0.000857 -0.003556 -0.000364 0.005112 0.000713 0.001993 30O 3py 0.004237 -0.004738 0.000450 -0.002286 -0.005210 -0.003851 30O 1dz2 -0.000143 0.000148 0.000020 -0.000173 -0.000117 -0.000126 30O 1dxz -0.001109 0.001197 0.000071 -0.001693 0.000052 0.000010 30O 1dyz -0.000940 0.001038 0.000022 -0.001248 0.000464 0.000389 30O 1dx2y2 0.000119 -0.000106 0.000013 0.000255 0.000553 0.000529 30O 1dxy 0.001169 -0.001273 -0.000037 0.001841 -0.000276 -0.000224 30O 2dz2 -0.000390 0.000646 0.000139 -0.000893 -0.000759 -0.000819 30O 2dxz -0.002351 0.002920 0.000130 -0.003720 0.000185 -0.000009 30O 2dyz -0.003275 0.003804 0.000123 -0.005631 0.000947 0.000838 30O 2dx2y2 -0.000668 0.000386 0.000078 -0.000982 0.001748 0.001878 30O 2dxy 0.002843 -0.003339 -0.000136 0.004198 -0.000918 -0.000749 30O 1f0 0.000278 -0.000294 -0.000005 0.000407 -0.000059 -0.000064 30O 1f+1 0.000226 -0.000245 -0.000011 0.000342 -0.000121 -0.000122 30O 1f-1 0.000041 -0.000046 0.000000 0.000064 -0.000210 -0.000204 30O 1f+2 -0.000248 0.000304 0.000006 -0.000394 -0.000521 -0.000535 30O 1f-2 -0.000870 0.001004 0.000044 -0.001337 0.000119 0.000067 30O 1f+3 0.000564 -0.000643 -0.000019 0.000864 -0.000311 -0.000278 30O 1f-3 -0.000488 0.000553 0.000024 -0.000754 -0.000279 -0.000285 31O 1s 0.033935 -0.036167 0.000080 -0.050087 -0.009394 -0.009315 31O 2s 0.080450 -0.085764 0.000189 -0.118759 -0.022418 -0.022248 31O 3s -0.116694 0.124509 -0.000270 0.172336 0.033558 0.033545 31O 4s -0.158735 0.169357 -0.000307 0.233769 0.046915 0.045680 31O 5s -0.054435 0.066945 -0.000961 0.097972 0.022962 0.025752 31O 1pz -0.013970 0.015384 -0.000608 0.022105 -0.012289 -0.010771 31O 1px 0.021456 -0.022886 -0.000064 -0.031548 -0.005136 -0.005447 31O 1py 0.014459 -0.016097 -0.000352 -0.023523 0.019772 0.017737 31O 2pz -0.010845 0.013030 -0.000610 0.018547 -0.010592 -0.008935 31O 2px 0.019229 -0.021553 -0.000054 -0.030244 -0.005364 -0.005670 31O 2py 0.010468 -0.012962 -0.000363 -0.018678 0.017222 0.015020 31O 3pz -0.002409 0.003767 -0.000906 -0.000692 -0.003252 -0.002231 31O 3px -0.000892 -0.003522 0.000212 -0.005135 -0.000672 -0.001898 31O 3py 0.004222 -0.004727 -0.000616 0.002254 0.005160 0.003702 31O 1dz2 0.000142 -0.000147 0.000014 -0.000175 -0.000116 -0.000124 31O 1dxz 0.001104 -0.001184 0.000028 -0.001707 0.000052 0.000009 31O 1dyz 0.000937 -0.001028 -0.000016 -0.001261 0.000459 0.000378 31O 1dx2y2 -0.000119 0.000103 0.000016 0.000257 0.000548 0.000515 31O 1dxy -0.001164 0.001256 0.000008 0.001854 -0.000275 -0.000221 31O 2dz2 0.000385 -0.000643 0.000114 -0.000899 -0.000752 -0.000802 31O 2dxz 0.002338 -0.002890 0.000024 -0.003752 0.000185 -0.000010 31O 2dyz 0.003261 -0.003758 -0.000013 -0.005677 0.000942 0.000827 31O 2dx2y2 0.000664 -0.000379 0.000067 -0.000985 0.001734 0.001840 31O 2dxy -0.002828 0.003304 -0.000016 0.004234 -0.000912 -0.000732 31O 1f0 0.000277 -0.000290 -0.000005 -0.000410 0.000059 0.000063 31O 1f+1 0.000226 -0.000243 0.000002 -0.000346 0.000120 0.000119 31O 1f-1 0.000041 -0.000046 -0.000002 -0.000065 0.000209 0.000199 31O 1f+2 -0.000247 0.000301 0.000006 0.000398 0.000517 0.000524 31O 1f-2 -0.000866 0.000993 -0.000007 0.001349 -0.000119 -0.000065 31O 1f+3 0.000561 -0.000635 -0.000005 -0.000871 0.000308 0.000272 31O 1f-3 -0.000486 0.000547 -0.000005 0.000761 0.000276 0.000278 32O 1s 0.002456 -0.000036 0.000476 0.000396 0.000313 -0.000010 32O 2s 0.005791 -0.000082 0.001131 0.000939 0.000754 -0.000025 32O 3s -0.007915 0.000091 -0.001705 -0.001373 -0.001179 0.000055 32O 4s -0.014641 0.000332 -0.002161 -0.001969 -0.001983 -0.000039 32O 5s 0.004408 -0.000421 -0.000100 0.000133 0.001190 0.000363 32O 1pz -0.000571 0.000116 0.000239 -0.000303 -0.000298 -0.000255 32O 1px 0.001379 0.000012 0.000325 0.000074 0.000938 -0.000107 32O 1py -0.001625 0.000020 -0.000137 0.000010 -0.000245 0.000022 32O 2pz -0.000446 0.000089 0.000273 -0.000220 -0.000328 -0.000201 32O 2px 0.001113 0.000002 0.000167 -0.000089 0.001047 -0.000138 32O 2py -0.001435 0.000028 -0.000110 -0.000042 -0.000157 0.000025 32O 3pz -0.001265 -0.000611 0.001177 -0.000825 -0.000525 0.000511 32O 3px 0.003616 -0.000288 0.000414 -0.000214 0.001389 0.000196 32O 3py 0.000707 -0.000082 0.001048 0.001438 0.000162 0.000172 32O 1dz2 -0.000052 0.000006 0.000001 -0.000019 0.000001 -0.000010 32O 1dxz -0.000018 0.000000 -0.000032 0.000004 0.000014 0.000000 32O 1dyz -0.000017 0.000022 -0.000004 0.000009 -0.000001 -0.000027 32O 1dx2y2 -0.000030 0.000002 0.000001 0.000016 -0.000029 0.000001 32O 1dxy 0.000072 0.000008 -0.000003 -0.000011 0.000012 -0.000013 32O 2dz2 -0.000214 -0.000002 -0.000073 0.000032 -0.000100 0.000017 32O 2dxz -0.000243 0.000012 0.000161 -0.000065 -0.000141 0.000010 32O 2dyz -0.000078 -0.000029 0.000083 -0.000150 -0.000043 0.000020 32O 2dx2y2 0.000267 0.000005 -0.000008 -0.000123 0.000182 -0.000017 32O 2dxy 0.000253 -0.000018 0.000171 0.000159 0.000131 0.000008 32O 1f0 -0.000061 -0.000005 -0.000003 -0.000002 -0.000011 0.000005 32O 1f+1 0.000028 -0.000006 -0.000014 0.000012 0.000007 0.000001 32O 1f-1 -0.000077 -0.000005 -0.000001 -0.000010 -0.000012 0.000007 32O 1f+2 0.000038 0.000005 0.000018 -0.000005 0.000004 -0.000005 32O 1f-2 -0.000045 0.000009 -0.000014 -0.000006 -0.000008 -0.000005 32O 1f+3 0.000030 -0.000006 -0.000002 0.000011 0.000001 0.000003 32O 1f-3 0.000027 -0.000005 -0.000007 -0.000017 0.000007 0.000002 33O 1s 0.036027 0.033058 0.050928 0.000842 -0.009056 0.009546 33O 2s 0.085406 0.078390 0.120746 0.001996 -0.021612 0.022800 33O 3s -0.123874 -0.113823 -0.175201 -0.002888 0.032370 -0.034366 33O 4s -0.168543 -0.154662 -0.237664 -0.003971 0.045218 -0.046988 33O 5s -0.057831 -0.061567 -0.098958 -0.001779 0.021689 -0.025311 33O 1pz -0.019203 -0.018280 -0.029391 -0.000134 -0.019262 0.018240 33O 1px 0.024900 0.022975 0.035460 0.000807 -0.001656 0.002449 33O 1py -0.002174 -0.002350 -0.004357 -0.000630 -0.012255 0.011868 33O 2pz -0.014544 -0.015253 -0.024136 -0.000073 -0.016810 0.015455 33O 2px 0.021669 0.021183 0.032954 0.000758 -0.002200 0.003081 33O 2py -0.000530 -0.001165 -0.002003 -0.000608 -0.011039 0.010453 33O 3pz -0.005399 -0.005208 0.000972 0.000438 -0.005057 0.004060 33O 3px 0.000376 0.004022 0.004987 0.000660 0.000116 0.000962 33O 3py -0.003087 -0.001542 0.002465 -0.000755 -0.002876 0.002677 33O 1dz2 -0.000424 -0.000410 -0.000516 -0.000028 -0.000465 0.000440 33O 1dxz 0.001668 0.001548 0.002449 0.000022 0.000315 -0.000250 33O 1dyz -0.000292 -0.000285 -0.000247 0.000002 -0.000320 0.000284 33O 1dx2y2 -0.000855 -0.000782 -0.001264 -0.000045 0.000201 -0.000235 33O 1dxy 0.000311 0.000298 0.000504 0.000020 0.000337 -0.000330 33O 2dz2 -0.001863 -0.001667 -0.002963 -0.000149 -0.001466 0.001570 33O 2dxz 0.004255 0.004363 0.006456 0.000090 0.000867 -0.000690 33O 2dyz -0.001831 -0.001780 -0.003290 -0.000004 -0.000523 0.000568 33O 2dx2y2 -0.001515 -0.001814 -0.002484 -0.000096 0.000849 -0.001079 33O 2dxy 0.001265 0.001067 0.001594 -0.000008 0.001133 -0.001189 33O 1f0 0.000307 0.000298 0.000457 0.000011 -0.000286 0.000301 33O 1f+1 0.000817 0.000785 0.001199 0.000018 0.000336 -0.000322 33O 1f-1 0.000182 0.000206 0.000293 0.000003 -0.000306 0.000343 33O 1f+2 -0.000840 -0.000829 -0.001252 -0.000027 0.000206 -0.000249 33O 1f-2 0.000407 0.000404 0.000599 0.000010 0.000253 -0.000228 33O 1f+3 -0.000185 -0.000178 -0.000273 0.000006 0.000227 -0.000235 33O 1f-3 0.000309 0.000288 0.000455 0.000006 0.000122 -0.000126 34O 1s -0.033771 0.036001 -0.000105 0.049870 -0.009166 -0.009093 34O 2s -0.080055 0.085368 -0.000247 0.118236 -0.021877 -0.021722 34O 3s 0.116074 -0.123960 0.000343 -0.171527 0.032804 0.032810 34O 4s 0.158413 -0.168657 0.000584 -0.233302 0.045663 0.044463 34O 5s 0.052973 -0.066665 -0.000718 -0.097348 0.022943 0.025880 34O 1pz -0.002266 0.002086 0.000568 0.002291 -0.010805 -0.009935 34O 1px 0.028785 -0.031207 0.000212 -0.043976 -0.009149 -0.007400 34O 1py -0.005229 0.006154 0.000359 0.009659 0.018764 0.017107 34O 2pz -0.003136 0.002890 0.000563 0.003848 -0.009865 -0.008927 34O 2px 0.023910 -0.027812 0.000129 -0.039416 -0.007332 -0.005407 34O 2py -0.002496 0.003937 0.000417 0.005938 0.016736 0.014946 34O 3pz 0.002825 -0.000871 0.000948 0.002765 -0.002050 -0.001897 34O 3px 0.002401 -0.006388 -0.000238 -0.003839 -0.002147 -0.000250 34O 3py -0.004436 0.002861 0.000471 -0.002872 0.004169 0.003420 34O 1dz2 -0.000860 0.000931 -0.000037 0.001266 0.000217 0.000159 34O 1dxz -0.000012 -0.000004 0.000002 0.000055 -0.000395 -0.000367 34O 1dyz -0.000019 0.000022 0.000012 -0.000140 0.000012 -0.000006 34O 1dx2y2 0.001335 -0.001428 -0.000009 -0.002097 -0.000019 0.000031 34O 1dxy -0.000857 0.000944 0.000007 0.001213 0.000655 0.000578 34O 2dz2 -0.002501 0.003027 -0.000056 0.004240 0.000226 0.000077 34O 2dxz 0.000720 -0.000560 -0.000061 -0.001044 -0.001199 -0.001259 34O 2dyz -0.000420 0.000588 0.000056 0.001270 -0.000288 -0.000284 34O 2dx2y2 0.002899 -0.003643 -0.000079 -0.004668 0.000134 0.000388 34O 2dxy -0.003083 0.003363 -0.000033 0.005032 0.001865 0.001788 34O 1f0 0.000044 -0.000079 -0.000004 -0.000086 0.000268 0.000285 34O 1f+1 -0.000636 0.000711 0.000007 0.000980 0.000016 -0.000004 34O 1f-1 0.000214 -0.000247 0.000008 -0.000331 -0.000114 -0.000095 34O 1f+2 0.000286 -0.000336 -0.000003 -0.000444 -0.000148 -0.000115 34O 1f-2 0.000245 -0.000283 -0.000002 -0.000392 0.000199 0.000200 34O 1f+3 -0.000641 0.000737 -0.000004 0.001007 -0.000372 -0.000393 34O 1f-3 0.000732 -0.000822 0.000001 -0.001135 -0.000397 -0.000357 35O 1s -0.035706 -0.032811 -0.050548 -0.000835 -0.008762 0.009246 35O 2s -0.084660 -0.077821 -0.119869 -0.001980 -0.020920 0.022093 35O 3s 0.122962 0.113162 0.174154 0.002876 0.031492 -0.033460 35O 4s 0.166650 0.153164 0.235455 0.003924 0.043002 -0.044758 35O 5s 0.056477 0.060831 0.098596 0.001123 0.021437 -0.025107 35O 1pz 0.001886 0.002232 0.004505 -0.000283 -0.017932 0.017487 35O 1px 0.028345 0.026405 0.041190 0.000459 -0.005749 0.004689 35O 1py 0.011754 0.011229 0.018154 0.000868 -0.012942 0.012239 35O 2pz -0.000504 0.000530 0.001117 -0.000350 -0.016191 0.015519 35O 2px 0.023787 0.023692 0.037141 0.000382 -0.004624 0.003394 35O 2py 0.008421 0.009061 0.014403 0.000825 -0.011638 0.010707 35O 3pz 0.004304 0.001932 -0.004013 -0.000559 -0.003887 0.003052 35O 3px 0.000871 0.005078 0.003305 -0.000560 -0.002176 0.000183 35O 3py 0.003173 0.003190 -0.001261 0.000644 -0.002944 0.001872 35O 1dz2 -0.000855 -0.000787 -0.001336 0.000009 0.000055 -0.000034 35O 1dxz 0.000525 0.000511 0.000734 0.000015 -0.000583 0.000562 35O 1dyz 0.000241 0.000238 0.000168 -0.000016 -0.000283 0.000252 35O 1dx2y2 0.001005 0.000920 0.001484 0.000034 0.000134 -0.000169 35O 1dxy 0.001315 0.001232 0.001861 0.000047 -0.000352 0.000294 35O 2dz2 -0.001813 -0.001933 -0.002590 0.000032 0.000279 -0.000116 35O 2dxz 0.002149 0.001843 0.003131 0.000109 -0.001830 0.001948 35O 2dyz 0.001502 0.001473 0.002847 0.000009 -0.000447 0.000482 35O 2dx2y2 0.001908 0.002227 0.003097 0.000122 0.000536 -0.000794 35O 2dxy 0.003519 0.003589 0.005606 0.000065 -0.000976 0.000847 35O 1f0 -0.000379 -0.000365 -0.000559 -0.000002 0.000293 -0.000287 35O 1f+1 -0.000631 -0.000608 -0.000935 -0.000021 -0.000217 0.000237 35O 1f-1 -0.000518 -0.000537 -0.000785 -0.000014 -0.000120 0.000174 35O 1f+2 0.000494 0.000485 0.000740 0.000013 -0.000149 0.000133 35O 1f-2 0.000159 0.000147 0.000227 0.000011 -0.000430 0.000437 35O 1f+3 -0.000083 -0.000091 -0.000130 -0.000001 -0.000296 0.000316 35O 1f-3 -0.000785 -0.000762 -0.001164 -0.000014 0.000078 -0.000051 66 67 68 69 70 71 -0.71892 -0.71886 -0.54786 -0.54219 -0.53512 -0.53243 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s 0.000017 0.000010 0.003351 -0.000090 -0.000065 -0.000054 0Rh 2s -0.000071 -0.000038 -0.012778 0.000351 0.000240 0.000219 0Rh 3s 0.000055 0.000031 0.011432 -0.000304 -0.000226 -0.000177 0Rh 4s 0.000300 0.000160 0.053637 -0.001474 -0.001004 -0.000929 0Rh 5s -0.000266 -0.000131 -0.040819 0.001159 0.000720 0.000829 0Rh 6s -0.000291 -0.000192 -0.081201 0.002114 0.001664 0.000944 0Rh 7s 0.000017 -0.000205 0.093478 -0.002037 -0.002285 -0.000738 0Rh 8s -0.001194 0.001476 0.014889 -0.001250 0.005017 0.010222 0Rh 1pz -0.002632 -0.003709 0.000790 0.000331 -0.009465 -0.000840 0Rh 1px -0.001515 -0.000637 -0.001887 0.000139 -0.002974 0.001702 0Rh 1py 0.003662 -0.002921 -0.000212 0.000076 0.000217 -0.010619 0Rh 2pz 0.008838 0.012457 -0.002654 -0.001119 0.031907 0.002834 0Rh 2px 0.005090 0.002138 0.006326 -0.000469 0.010026 -0.005740 0Rh 2py -0.012301 0.009810 0.000705 -0.000256 -0.000732 0.035802 0Rh 3pz -0.006799 -0.009600 0.001916 0.000921 -0.024904 -0.002224 0Rh 3px -0.003924 -0.001635 -0.004371 0.000363 -0.007812 0.004536 0Rh 3py 0.009493 -0.007556 -0.000366 0.000217 0.000558 -0.027997 0Rh 4pz -0.010992 -0.015438 0.003893 0.001284 -0.041540 -0.003669 0Rh 4px -0.006300 -0.002696 -0.009949 0.000607 -0.013097 0.007293 0Rh 4py 0.015193 -0.012175 -0.001519 0.000279 0.001000 -0.046566 0Rh 5pz 0.000134 0.000107 -0.000639 0.000200 0.003357 0.000377 0Rh 5px 0.000040 0.000123 0.002432 0.000005 0.001147 -0.000385 0Rh 5py -0.000025 0.000126 0.000914 0.000016 -0.000148 0.004287 0Rh 6pz 0.002585 0.003574 -0.000846 -0.002214 0.019459 -0.000884 0Rh 6px 0.001358 -0.000133 0.005076 -0.001171 0.005047 -0.003050 0Rh 6py -0.004352 0.002535 -0.003373 0.001986 -0.000214 0.011140 0Rh 1dz2 -0.000363 -0.000634 -0.007914 -0.012666 0.005246 0.000439 0Rh 1dxz 0.000541 0.000937 -0.009747 0.001969 -0.007513 -0.000569 0Rh 1dyz 0.000590 -0.000233 -0.002647 -0.030759 -0.000564 0.002402 0Rh 1dx2y2 0.000678 0.000032 0.014892 -0.004847 -0.002853 0.002008 0Rh 1dxy -0.000845 0.000783 0.005603 -0.012200 0.000192 -0.006689 0Rh 2dz2 -0.000006 -0.000003 0.000165 0.000220 -0.000111 -0.000016 0Rh 2dxz 0.000009 0.000011 0.000216 -0.000017 0.000178 0.000017 0Rh 2dyz 0.000004 0.000005 0.000050 0.000556 0.000044 -0.000064 0Rh 2dx2y2 0.000007 -0.000002 -0.000317 0.000100 0.000068 -0.000058 0Rh 2dxy -0.000016 0.000012 -0.000118 0.000219 0.000009 0.000192 0Rh 3dz2 0.000537 0.000905 0.010983 0.017787 -0.007401 -0.000594 0Rh 3dxz -0.000801 -0.001368 0.013500 -0.002842 0.010570 0.000794 0Rh 3dyz -0.000848 0.000311 0.003697 0.043103 0.000698 -0.003353 0Rh 3dx2y2 -0.000984 -0.000037 -0.020624 0.006752 0.003999 -0.002787 0Rh 3dxy 0.001259 -0.001154 -0.007795 0.017109 -0.000315 0.009292 0Rh 4dz2 0.000620 0.001156 0.015692 0.024781 -0.010128 -0.000916 0Rh 4dxz -0.000915 -0.001631 0.019434 -0.003640 0.014578 0.001132 0Rh 4dyz -0.001068 0.000474 0.005204 0.060396 0.001330 -0.004734 0Rh 4dx2y2 -0.001201 -0.000084 -0.029667 0.009621 0.005557 -0.003998 0Rh 4dxy 0.001412 -0.001341 -0.011072 0.023957 -0.000263 0.013282 0Rh 5dz2 0.000902 0.001257 0.012608 0.020660 -0.008580 -0.000500 0Rh 5dxz -0.001372 -0.002221 0.015183 -0.003684 0.012151 0.000796 0Rh 5dyz -0.001190 0.000213 0.004217 0.049738 0.000572 -0.003593 0Rh 5dx2y2 -0.001467 0.000031 -0.023379 0.007605 0.004679 -0.002974 0Rh 5dxy 0.002172 -0.001895 -0.008802 0.019606 -0.000501 0.010042 0Rh 1f0 -0.000974 0.000248 -0.000344 -0.000262 -0.000786 0.002323 0Rh 1f+1 0.000032 0.000312 0.000286 0.000487 0.000781 0.000473 0Rh 1f-1 -0.000176 0.001688 -0.000029 -0.000561 0.002707 0.003183 0Rh 1f+2 -0.001186 -0.000804 0.000405 -0.000286 -0.003182 0.000716 0Rh 1f-2 -0.000899 0.000622 0.000153 0.000917 -0.000384 0.003064 0Rh 1f+3 0.000866 0.000201 0.000485 -0.000128 0.001620 -0.001778 0Rh 1f-3 -0.000352 0.000139 0.000283 -0.000545 -0.000158 0.001588 1Rh 1s -0.000008 0.000009 0.003352 -0.000089 0.000077 0.000058 1Rh 2s 0.000034 -0.000034 -0.012784 0.000345 -0.000287 -0.000232 1Rh 3s -0.000022 0.000033 0.011436 -0.000299 0.000268 0.000189 1Rh 4s -0.000146 0.000139 0.053662 -0.001451 0.001201 0.000985 1Rh 5s 0.000150 -0.000093 -0.040838 0.001142 -0.000869 -0.000869 1Rh 6s 0.000070 -0.000244 -0.081241 0.002078 -0.001969 -0.001037 1Rh 7s 0.000177 0.000589 0.093522 -0.002002 0.002634 0.000865 1Rh 8s 0.001211 -0.001412 0.014903 -0.001355 -0.004890 -0.010224 1Rh 1pz -0.002629 -0.003707 -0.000749 -0.000284 -0.009473 -0.000878 1Rh 1px -0.001519 -0.000646 0.001897 -0.000126 -0.002964 0.001691 1Rh 1py 0.003658 -0.002923 0.000223 -0.000047 0.000189 -0.010615 1Rh 2pz 0.008830 0.012451 0.002515 0.000959 0.031934 0.002962 1Rh 2px 0.005103 0.002170 -0.006360 0.000426 0.009992 -0.005703 1Rh 2py -0.012288 0.009817 -0.000740 0.000160 -0.000638 0.035791 1Rh 3pz -0.006791 -0.009594 -0.001804 -0.000796 -0.024925 -0.002322 1Rh 3px -0.003936 -0.001666 0.004397 -0.000328 -0.007788 0.004507 1Rh 3py 0.009482 -0.007562 0.000396 -0.000141 0.000486 -0.027988 1Rh 4pz -0.010987 -0.015436 -0.003723 -0.001075 -0.041576 -0.003842 1Rh 4px -0.006308 -0.002715 0.009994 -0.000555 -0.013045 0.007248 1Rh 4py 0.015182 -0.012181 0.001560 -0.000154 0.000875 -0.046554 1Rh 5pz 0.000144 0.000119 0.000645 -0.000221 0.003361 0.000389 1Rh 5px 0.000025 0.000087 -0.002439 -0.000001 0.001138 -0.000390 1Rh 5py -0.000034 0.000123 -0.000910 -0.000031 -0.000138 0.004296 1Rh 6pz 0.002561 0.003592 0.000697 0.002219 0.019468 -0.000658 1Rh 6px 0.001419 -0.000013 -0.005130 0.001071 0.004998 -0.002953 1Rh 6py -0.004364 0.002592 0.003338 -0.001938 -0.000220 0.011057 1Rh 1dz2 0.000400 0.000492 -0.007924 -0.012643 -0.005332 -0.000528 1Rh 1dxz -0.000563 -0.000958 -0.009803 0.001933 0.007506 0.000654 1Rh 1dyz -0.000479 -0.000064 -0.002668 -0.030811 0.000364 -0.002440 1Rh 1dx2y2 -0.000635 -0.000024 0.014931 -0.004852 0.002880 -0.001971 1Rh 1dxy 0.000902 -0.000876 0.005605 -0.012215 -0.000165 0.006669 1Rh 2dz2 0.000006 0.000004 0.000165 0.000220 0.000113 0.000016 1Rh 2dxz -0.000008 -0.000010 0.000217 -0.000016 -0.000177 -0.000017 1Rh 2dyz -0.000005 -0.000001 0.000050 0.000557 -0.000041 0.000064 1Rh 2dx2y2 -0.000008 0.000002 -0.000318 0.000100 -0.000069 0.000058 1Rh 2dxy 0.000015 -0.000011 -0.000118 0.000219 -0.000009 -0.000192 1Rh 3dz2 -0.000587 -0.000712 0.010999 0.017756 0.007521 0.000724 1Rh 3dxz 0.000829 0.001395 0.013582 -0.002793 -0.010564 -0.000918 1Rh 3dyz 0.000696 0.000094 0.003727 0.043178 -0.000416 0.003407 1Rh 3dx2y2 0.000926 0.000028 -0.020683 0.006762 -0.004036 0.002733 1Rh 3dxy -0.001336 0.001282 -0.007799 0.017129 0.000272 -0.009263 1Rh 4dz2 -0.000688 -0.000880 0.015715 0.024742 0.010300 0.001073 1Rh 4dxz 0.000957 0.001676 0.019545 -0.003567 -0.014556 -0.001282 1Rh 4dyz 0.000852 0.000101 0.005245 0.060504 -0.000944 0.004807 1Rh 4dx2y2 0.001114 0.000064 -0.029750 0.009628 -0.005613 0.003931 1Rh 4dxy -0.001522 0.001520 -0.011077 0.023994 0.000224 -0.013247 1Rh 5dz2 -0.000971 -0.000999 0.012603 0.020606 0.008723 0.000690 1Rh 5dxz 0.001410 0.002256 0.015254 -0.003639 -0.012159 -0.000967 1Rh 5dyz 0.000990 0.000327 0.004243 0.049786 -0.000222 0.003662 1Rh 5dx2y2 0.001392 -0.000043 -0.023405 0.007620 -0.004713 0.002900 1Rh 5dxy -0.002275 0.002064 -0.008794 0.019604 0.000424 -0.010003 1Rh 1f0 -0.000973 0.000241 0.000344 0.000259 -0.000786 0.002314 1Rh 1f+1 0.000031 0.000319 -0.000294 -0.000493 0.000780 0.000456 1Rh 1f-1 -0.000174 0.001683 0.000016 0.000538 0.002711 0.003191 1Rh 1f+2 -0.001182 -0.000807 -0.000394 0.000298 -0.003180 0.000720 1Rh 1f-2 -0.000903 0.000635 -0.000158 -0.000927 -0.000393 0.003065 1Rh 1f+3 0.000868 0.000202 -0.000491 0.000124 0.001621 -0.001781 1Rh 1f-3 -0.000347 0.000133 -0.000285 0.000540 -0.000165 0.001589 2C 1s -0.003917 -0.060673 -0.016441 -0.015085 0.014124 0.011912 2C 2s -0.008390 -0.129997 -0.035465 -0.032550 0.030490 0.025704 2C 3s 0.012737 0.197563 0.051674 0.047391 -0.045432 -0.038024 2C 4s 0.015313 0.236467 0.094456 0.087050 -0.074618 -0.064665 2C 5s 0.001173 0.027720 -0.025290 -0.005697 0.005971 0.005441 2C 1pz 0.001187 0.017912 -0.050426 -0.049940 0.052453 0.044788 2C 1px 0.000144 0.001955 -0.011647 -0.011631 0.012891 0.010106 2C 1py 0.000756 0.012478 -0.033556 -0.033346 0.034239 0.031723 2C 2pz 0.001222 0.015545 -0.027945 -0.027432 0.033747 0.027689 2C 2px 0.000219 0.001021 -0.006767 -0.006759 0.007880 0.005567 2C 2py 0.000337 0.010733 -0.018321 -0.018097 0.021486 0.020530 2C 3pz -0.000581 0.000598 -0.018276 -0.012747 0.012201 0.011153 2C 3px -0.000342 0.002527 -0.005307 -0.004564 0.007605 0.008194 2C 3py 0.000978 0.001132 -0.011726 -0.007988 0.007879 0.005842 2C 1dz2 0.000092 0.001060 -0.002115 -0.002104 0.002295 0.001908 2C 1dxz 0.000032 0.000452 -0.001060 -0.001061 0.001165 0.000983 2C 1dyz 0.000094 0.001667 -0.003164 -0.003152 0.003388 0.002995 2C 1dx2y2 -0.000016 -0.000502 0.000982 0.000975 -0.001024 -0.000954 2C 1dxy 0.000040 0.000369 -0.000621 -0.000623 0.000721 0.000524 2C 2dz2 0.000226 0.002409 0.000280 0.000434 0.000627 0.000059 2C 2dxz 0.000085 0.001146 -0.000144 -0.000092 0.001098 0.000965 2C 2dyz 0.000190 0.003261 0.000077 0.000316 0.000735 0.000590 2C 2dx2y2 -0.000024 -0.001065 0.000561 0.000468 -0.001193 -0.001199 2C 2dxy 0.000021 0.000484 -0.000169 -0.000129 0.000379 0.000227 2C 1f0 0.000114 0.001215 0.000495 0.000456 -0.000377 -0.000430 2C 1f+1 0.000067 0.000752 0.000179 0.000155 0.000005 -0.000087 2C 1f-1 0.000191 0.002891 0.000694 0.000625 -0.000355 -0.000308 2C 1f+2 -0.000167 -0.003030 -0.000973 -0.000903 0.000792 0.000590 2C 1f-2 0.000184 0.002817 0.000972 0.000905 -0.000752 -0.000662 2C 1f+3 -0.000115 -0.001733 -0.000757 -0.000730 0.000769 0.000671 2C 1f-3 -0.000020 -0.000142 -0.000096 -0.000099 0.000116 0.000127 3C 1s -0.061290 0.003315 -0.015587 0.015894 0.010362 -0.015928 3C 2s -0.131354 0.007102 -0.033648 0.034322 0.022381 -0.034408 3C 3s 0.200619 -0.010843 0.049571 -0.050560 -0.033665 0.051511 3C 4s 0.235020 -0.012692 0.087377 -0.089343 -0.053541 0.084026 3C 5s 0.035461 -0.001356 -0.022302 0.004892 0.003959 -0.005028 3C 1pz 0.012264 -0.000611 -0.027329 0.030245 0.023261 -0.034317 3C 1px 0.005951 -0.000313 -0.018622 0.020334 0.014795 -0.023362 3C 1py -0.017449 0.000976 0.048335 -0.053255 -0.037972 0.062197 3C 2pz 0.010673 -0.000196 -0.015198 0.016679 0.016092 -0.021821 3C 2px 0.004156 -0.000145 -0.010838 0.011687 0.009524 -0.014570 3C 2py -0.014597 0.000976 0.027403 -0.029896 -0.024354 0.039494 3C 3pz -0.000573 -0.000997 -0.009039 0.006434 0.001969 -0.005206 3C 3px 0.002642 -0.000160 -0.007782 0.006607 0.005525 -0.008575 3C 3py -0.002164 -0.000535 0.018192 -0.014954 -0.010966 0.016847 3C 1dz2 -0.000335 0.000052 0.000555 -0.000609 -0.000365 0.000804 3C 1dxz 0.000549 -0.000021 -0.001026 0.001135 0.000875 -0.001343 3C 1dyz -0.001647 0.000081 0.002522 -0.002795 -0.002116 0.003329 3C 1dx2y2 -0.001049 0.000062 0.001985 -0.002202 -0.001655 0.002618 3C 1dxy -0.000979 0.000049 0.001714 -0.001890 -0.001431 0.002248 3C 2dz2 -0.000377 0.000051 0.000045 -0.000006 0.000084 0.000204 3C 2dxz 0.001539 -0.000046 -0.000190 0.000104 0.000640 -0.000645 3C 2dyz -0.001927 0.000082 0.000470 -0.000267 -0.000852 0.000836 3C 2dx2y2 -0.002226 0.000156 0.000352 -0.000238 -0.001164 0.001708 3C 2dxy -0.001898 0.000078 0.000237 -0.000074 -0.000823 0.000963 3C 1f0 -0.000288 0.000017 0.000167 -0.000198 -0.000261 0.000379 3C 1f+1 0.000482 -0.000013 0.000167 -0.000167 -0.000091 0.000195 3C 1f-1 0.000977 -0.000087 0.000449 -0.000473 -0.000410 0.000451 3C 1f+2 -0.003980 0.000211 -0.001230 0.001273 0.000736 -0.001185 3C 1f-2 -0.003061 0.000149 -0.000910 0.000934 0.000512 -0.000861 3C 1f+3 0.001486 -0.000089 0.000298 -0.000295 -0.000109 0.000120 3C 1f-3 -0.000334 0.000037 0.000005 -0.000029 -0.000080 0.000190 4C 1s -0.001401 -0.021569 0.032631 0.030845 -0.032810 -0.027650 4C 2s -0.003027 -0.046589 0.071084 0.067247 -0.071536 -0.060278 4C 3s 0.005064 0.077072 -0.117951 -0.113379 0.119434 0.100652 4C 4s 0.004842 0.079308 -0.162063 -0.141677 0.162875 0.137431 4C 5s 0.000876 0.015742 -0.001013 -0.009979 0.017749 0.007727 4C 1pz -0.004824 -0.080522 -0.006167 -0.002025 0.003663 -0.002309 4C 1px -0.000827 -0.015940 -0.003285 -0.003059 0.006425 0.000885 4C 1py -0.004030 -0.053432 -0.004532 -0.002124 0.000603 0.004980 4C 2pz -0.003062 -0.050127 0.005888 0.011464 -0.000495 -0.005476 4C 2px -0.000337 -0.010615 0.002424 0.002174 0.000376 -0.001880 4C 2py -0.002653 -0.033393 0.004984 0.008036 -0.003259 -0.000027 4C 3pz 0.000948 0.004748 -0.018951 -0.009119 0.019602 0.012134 4C 3px 0.001156 0.000819 -0.001211 0.000607 -0.000539 -0.005267 4C 3py -0.001854 0.003427 -0.012461 -0.005628 0.010353 0.010092 4C 1dz2 0.000125 0.002554 0.000986 0.000846 -0.000332 -0.000371 4C 1dxz 0.000098 0.001797 0.001895 0.001562 -0.001227 -0.001121 4C 1dyz 0.000229 0.003177 -0.000438 -0.000361 0.001044 0.000901 4C 1dx2y2 -0.000158 -0.002015 -0.002943 -0.002447 0.002177 0.001736 4C 1dxy 0.000017 0.000267 -0.001353 -0.001184 0.001305 0.001054 4C 2dz2 0.000883 0.004277 -0.000913 -0.001388 0.001471 0.000335 4C 2dxz 0.000533 0.002569 0.001952 0.000691 -0.001184 -0.000757 4C 2dyz -0.000092 0.004195 -0.004291 -0.004337 0.003231 0.003563 4C 2dx2y2 0.000158 -0.003965 -0.002920 -0.001673 0.002302 0.000406 4C 2dxy 0.000010 -0.000398 -0.002593 -0.002011 0.001743 0.001382 4C 1f0 0.000022 -0.000059 0.001103 0.000959 -0.000909 -0.000781 4C 1f+1 -0.000006 0.000011 0.002345 0.001996 -0.002105 -0.001594 4C 1f-1 -0.000077 -0.001344 0.001760 0.001699 -0.001460 -0.001322 4C 1f+2 0.000056 0.000363 -0.002434 -0.002126 0.002126 0.001588 4C 1f-2 0.000016 -0.000549 0.000598 0.000563 -0.000443 -0.000600 4C 1f+3 -0.000062 -0.000196 -0.000011 0.000048 -0.000111 0.000095 4C 1f-3 0.000057 0.000339 0.001738 0.001469 -0.001461 -0.001329 5C 1s -0.021764 0.001181 0.030933 -0.032475 -0.024007 0.037059 5C 2s -0.047000 0.002549 0.067386 -0.070803 -0.052345 0.080796 5C 3s 0.076799 -0.004173 -0.111811 0.119365 0.087575 -0.134818 5C 4s 0.084993 -0.004509 -0.153699 0.149402 0.118017 -0.184615 5C 5s 0.012991 -0.000661 -0.001031 0.011276 0.011290 -0.015343 5C 1pz -0.047380 0.003157 -0.003378 0.001632 0.005461 0.002219 5C 1px -0.030596 0.001753 -0.002130 0.000107 0.000336 0.000957 5C 1py 0.081181 -0.003979 0.006391 -0.003061 -0.000403 0.003313 5C 2pz -0.029893 0.002096 0.003462 -0.006758 0.002216 0.005026 5C 2px -0.019047 0.001207 0.001092 -0.004163 0.000508 0.000463 5C 2py 0.051518 -0.002560 -0.005054 0.010908 0.002316 -0.003066 5C 3pz 0.004958 0.001925 -0.011649 0.007528 0.011028 -0.010795 5C 3px 0.003442 -0.000299 -0.004105 0.001191 0.003091 -0.006651 5C 3py -0.007659 0.001392 0.017407 -0.009963 -0.009721 0.018410 5C 1dz2 -0.000152 -0.000022 0.001659 -0.001535 -0.001046 0.001747 5C 1dxz 0.001790 -0.000109 0.001808 -0.001688 -0.000916 0.001453 5C 1dyz -0.002577 0.000159 0.001062 -0.001005 -0.001177 0.001656 5C 1dx2y2 -0.003166 0.000145 -0.002547 0.002358 0.001297 -0.001906 5C 1dxy -0.002282 0.000118 -0.000706 0.000710 0.000162 -0.000244 5C 2dz2 -0.000002 0.000556 0.003069 -0.002548 -0.000968 0.003185 5C 2dxz 0.002881 0.000108 0.001299 -0.000810 -0.000423 0.000816 5C 2dyz -0.003354 -0.000116 0.004147 -0.004328 -0.002703 0.003637 5C 2dx2y2 -0.004812 0.000721 -0.001806 0.000472 0.001033 -0.000088 5C 2dxy -0.003643 0.000233 0.001044 -0.001721 -0.000624 0.001891 5C 1f0 0.001021 -0.000070 -0.000122 0.000260 0.000001 -0.000239 5C 1f+1 0.000241 -0.000042 0.001318 -0.001221 -0.000964 0.001226 5C 1f-1 0.000041 -0.000060 -0.000258 0.000240 0.000033 -0.000357 5C 1f+2 0.000936 -0.000008 -0.001070 0.001131 0.000818 -0.001011 5C 1f-2 0.000606 -0.000055 -0.002104 0.002101 0.001352 -0.002156 5C 1f+3 -0.000584 0.000026 0.002293 -0.002236 -0.001491 0.002315 5C 1f-3 0.000037 -0.000019 -0.002147 0.002046 0.001368 -0.002243 6C 1s 0.022095 -0.001502 0.030874 -0.032480 0.023957 -0.037079 6C 2s 0.047716 -0.003244 0.067258 -0.070813 0.052236 -0.080842 6C 3s -0.077977 0.005311 -0.111598 0.119393 -0.087391 0.134912 6C 4s -0.086211 0.005733 -0.153400 0.149374 -0.117794 0.184624 6C 5s -0.013141 0.001044 -0.001021 0.011302 -0.011333 0.015369 6C 1pz -0.048055 0.003855 0.003374 -0.001698 0.005521 0.002124 6C 1px -0.031049 0.002204 0.002138 -0.000117 0.000211 0.001129 6C 1py 0.082345 -0.005174 -0.006392 0.003066 -0.000451 0.003367 6C 2pz -0.030323 0.002528 -0.003483 0.006728 0.002242 0.005002 6C 2px -0.019340 0.001490 -0.001076 0.004144 0.000493 0.000587 6C 2py 0.052261 -0.003297 0.005063 -0.010914 0.002273 -0.003076 6C 3pz 0.004980 0.001968 0.011528 -0.007547 0.010990 -0.010802 6C 3px 0.003465 -0.000272 0.004054 -0.001164 0.003097 -0.006550 6C 3py -0.007708 0.001276 -0.017304 0.009994 -0.009740 0.018475 6C 1dz2 0.000156 0.000020 0.001656 -0.001533 0.001042 -0.001743 6C 1dxz -0.001816 0.000137 0.001808 -0.001690 0.000918 -0.001460 6C 1dyz 0.002613 -0.000197 0.001060 -0.001006 0.001178 -0.001660 6C 1dx2y2 0.003207 -0.000193 -0.002545 0.002357 -0.001292 0.001903 6C 1dxy 0.002316 -0.000152 -0.000705 0.000710 -0.000166 0.000253 6C 2dz2 0.000002 -0.000555 0.003073 -0.002548 0.000979 -0.003191 6C 2dxz -0.002910 -0.000077 0.001295 -0.000800 0.000408 -0.000807 6C 2dyz 0.003406 0.000072 0.004137 -0.004322 0.002688 -0.003632 6C 2dx2y2 0.004882 -0.000778 -0.001799 0.000485 -0.001044 0.000089 6C 2dxy 0.003674 -0.000276 0.001068 -0.001744 0.000647 -0.001932 6C 1f0 0.001035 -0.000084 0.000124 -0.000260 0.000001 -0.000239 6C 1f+1 0.000244 -0.000045 -0.001316 0.001223 -0.000962 0.001226 6C 1f-1 0.000042 -0.000061 0.000257 -0.000238 0.000032 -0.000355 6C 1f+2 0.000950 -0.000022 0.001067 -0.001131 0.000815 -0.001011 6C 1f-2 0.000617 -0.000065 0.002101 -0.002100 0.001350 -0.002159 6C 1f+3 -0.000595 0.000036 -0.002289 0.002236 -0.001488 0.002315 6C 1f-3 0.000040 -0.000022 0.002144 -0.002045 0.001365 -0.002243 7C 1s 0.001297 0.022332 0.032460 0.030599 0.033086 0.027726 7C 2s 0.002802 0.048237 0.070712 0.066710 0.072139 0.060445 7C 3s -0.004694 -0.079791 -0.117345 -0.112485 -0.120449 -0.100947 7C 4s -0.004446 -0.082082 -0.161153 -0.140454 -0.164190 -0.137721 7C 5s -0.000734 -0.016291 -0.000985 -0.010036 -0.018005 -0.007721 7C 1pz -0.004422 -0.083082 0.006057 0.001941 0.003587 -0.002389 7C 1px -0.000743 -0.016362 0.003318 0.003090 0.006546 0.001106 7C 1py -0.003784 -0.055497 0.004576 0.002134 0.000653 0.005022 7C 2pz -0.002810 -0.051716 -0.005933 -0.011485 -0.000619 -0.005591 7C 2px -0.000291 -0.010887 -0.002424 -0.002136 0.000348 -0.001774 7C 2py -0.002499 -0.034655 -0.004975 -0.008037 -0.003319 -0.000069 7C 3pz 0.000986 0.004761 0.018762 0.008993 0.019675 0.012217 7C 3px 0.001155 0.000929 0.001092 -0.000721 -0.000688 -0.005316 7C 3py -0.001844 0.003402 0.012387 0.005513 0.010324 0.010137 7C 1dz2 -0.000111 -0.002622 0.000991 0.000850 0.000349 0.000384 7C 1dxz -0.000087 -0.001845 0.001888 0.001552 0.001242 0.001118 7C 1dyz -0.000214 -0.003295 -0.000437 -0.000356 -0.001051 -0.000904 7C 1dx2y2 0.000149 0.002095 -0.002928 -0.002428 -0.002196 -0.001741 7C 1dxy -0.000016 -0.000277 -0.001345 -0.001174 -0.001318 -0.001063 7C 2dz2 -0.000865 -0.004367 -0.000895 -0.001372 -0.001469 -0.000328 7C 2dxz -0.000521 -0.002620 0.001953 0.000688 0.001216 0.000768 7C 2dyz 0.000107 -0.004344 -0.004288 -0.004334 -0.003286 -0.003595 7C 2dx2y2 -0.000172 0.004052 -0.002885 -0.001642 -0.002307 -0.000389 7C 2dxy -0.000011 0.000378 -0.002570 -0.001998 -0.001754 -0.001374 7C 1f0 0.000023 -0.000056 -0.001089 -0.000942 -0.000911 -0.000777 7C 1f+1 -0.000005 0.000007 -0.002322 -0.001972 -0.002113 -0.001589 7C 1f-1 -0.000070 -0.001393 -0.001750 -0.001688 -0.001474 -0.001327 7C 1f+2 0.000055 0.000393 0.002426 0.002116 0.002151 0.001597 7C 1f-2 0.000018 -0.000566 -0.000599 -0.000561 -0.000450 -0.000601 7C 1f+3 -0.000061 -0.000206 0.000014 -0.000046 -0.000106 0.000097 7C 1f-3 0.000056 0.000339 -0.001739 -0.001467 -0.001483 -0.001341 8C 1s 0.062176 -0.004218 -0.015563 0.015897 -0.010340 0.015940 8C 2s 0.133252 -0.009037 -0.033594 0.034329 -0.022333 0.034434 8C 3s -0.203519 0.013796 0.049487 -0.050572 0.033595 -0.051549 8C 4s -0.238401 0.016170 0.087262 -0.089337 0.053400 -0.084090 8C 5s -0.035964 0.001587 -0.022137 0.004870 -0.003881 0.004972 8C 1pz 0.012438 -0.000791 0.027273 -0.030251 0.023214 -0.034347 8C 1px 0.006017 -0.000399 0.018602 -0.020347 0.014736 -0.023342 8C 1py -0.017732 0.001234 -0.048225 0.053222 -0.037870 0.062207 8C 2pz 0.010817 -0.000353 0.015144 -0.016687 0.016053 -0.021816 8C 2px 0.004214 -0.000214 0.010810 -0.011689 0.009472 -0.014527 8C 2py -0.014851 0.001208 -0.027321 0.029875 -0.024299 0.039497 8C 3pz -0.000566 -0.000949 0.009041 -0.006442 0.001994 -0.005249 8C 3px 0.002631 -0.000153 0.007812 -0.006683 0.005590 -0.008709 8C 3py -0.002213 -0.000574 -0.018095 0.014911 -0.010890 0.016767 8C 1dz2 0.000340 -0.000056 0.000554 -0.000608 0.000363 -0.000803 8C 1dxz -0.000557 0.000030 -0.001024 0.001136 -0.000872 0.001345 8C 1dyz 0.001669 -0.000105 0.002516 -0.002795 0.002112 -0.003331 8C 1dx2y2 0.001062 -0.000078 0.001981 -0.002202 0.001652 -0.002621 8C 1dxy 0.000992 -0.000064 0.001711 -0.001891 0.001427 -0.002247 8C 2dz2 0.000380 -0.000061 0.000053 -0.000012 -0.000080 -0.000213 8C 2dxz -0.001546 0.000066 -0.000198 0.000115 -0.000644 0.000658 8C 2dyz 0.001981 -0.000124 0.000454 -0.000257 0.000845 -0.000820 8C 2dx2y2 0.002268 -0.000190 0.000338 -0.000228 0.001153 -0.001690 8C 2dxy 0.001922 -0.000107 0.000235 -0.000079 0.000827 -0.000965 8C 1f0 -0.000281 0.000021 -0.000170 0.000202 -0.000263 0.000383 8C 1f+1 0.000443 -0.000017 -0.000150 0.000149 -0.000078 0.000175 8C 1f-1 0.000981 -0.000101 -0.000444 0.000470 -0.000407 0.000447 8C 1f+2 -0.004025 0.000269 0.001223 -0.001267 0.000730 -0.001180 8C 1f-2 -0.003140 0.000197 0.000923 -0.000949 0.000522 -0.000879 8C 1f+3 0.001487 -0.000110 -0.000290 0.000287 -0.000103 0.000112 8C 1f-3 -0.000360 0.000044 0.000004 0.000020 -0.000074 0.000180 9C 1s 0.003621 0.062742 -0.016361 -0.014973 -0.014256 -0.011944 9C 2s 0.007758 0.134430 -0.035292 -0.032308 -0.030774 -0.025774 9C 3s -0.011777 -0.204297 0.051413 0.047025 0.045841 0.038118 9C 4s -0.014161 -0.244504 0.094037 0.086476 0.075393 0.064882 9C 5s -0.001121 -0.028606 -0.025150 -0.005570 -0.005938 -0.005549 9C 1pz 0.001101 0.018536 0.050048 0.049442 0.052805 0.044791 9C 1px 0.000133 0.002001 0.011530 0.011487 0.012947 0.010116 9C 1py 0.000695 0.012894 0.033588 0.033282 0.034756 0.031971 9C 2pz 0.001148 0.016116 0.027713 0.027116 0.033956 0.027680 9C 2px 0.000211 0.001075 0.006707 0.006682 0.007912 0.005567 9C 2py 0.000283 0.011057 0.018340 0.018044 0.021771 0.020651 9C 3pz -0.000573 0.000596 0.018095 0.012532 0.012141 0.011075 9C 3px -0.000342 0.002527 0.005280 0.004544 0.007693 0.008267 9C 3py 0.000990 0.001279 0.011758 0.008011 0.008135 0.006025 9C 1dz2 -0.000087 -0.001086 -0.002088 -0.002072 -0.002298 -0.001897 9C 1dxz -0.000030 -0.000456 -0.001049 -0.001047 -0.001169 -0.000981 9C 1dyz -0.000086 -0.001727 -0.003158 -0.003137 -0.003429 -0.003014 9C 1dx2y2 0.000014 0.000520 0.000992 0.000981 0.001050 0.000967 9C 1dxy -0.000039 -0.000389 -0.000616 -0.000617 -0.000727 -0.000525 9C 2dz2 -0.000214 -0.002493 0.000287 0.000444 -0.000607 -0.000037 9C 2dxz -0.000081 -0.001195 -0.000128 -0.000073 -0.001080 -0.000949 9C 2dyz -0.000174 -0.003397 0.000084 0.000329 -0.000742 -0.000584 9C 2dx2y2 0.000022 0.001132 0.000539 0.000439 0.001193 0.001191 9C 2dxy -0.000017 -0.000483 -0.000174 -0.000133 -0.000391 -0.000236 9C 1f0 0.000107 0.001240 -0.000489 -0.000449 -0.000381 -0.000431 9C 1f+1 0.000063 0.000787 -0.000183 -0.000158 -0.000002 -0.000092 9C 1f-1 0.000176 0.002964 -0.000682 -0.000613 -0.000351 -0.000304 9C 1f+2 -0.000157 -0.003213 0.000998 0.000925 0.000825 0.000615 9C 1f-2 0.000169 0.002874 -0.000952 -0.000885 -0.000745 -0.000653 9C 1f+3 -0.000104 -0.001752 0.000738 0.000710 0.000761 0.000661 9C 1f-3 -0.000024 -0.000228 0.000128 0.000129 0.000150 0.000155 10H 1s 0.003119 0.048304 0.026627 0.025319 -0.024884 -0.021635 10H 2s 0.003320 0.051692 0.032226 0.030349 -0.028801 -0.025034 10H 3s 0.000600 0.005838 0.012183 0.011451 -0.014340 -0.013510 10H 1pz 0.000254 0.004002 0.000276 0.000207 -0.000070 -0.000095 10H 1px -0.000365 -0.005735 -0.003375 -0.003225 0.003069 0.002612 10H 1py 0.000084 0.001388 -0.000471 -0.000485 0.000521 0.000535 11H 1s 0.003177 0.049596 0.026595 0.025302 -0.025471 -0.020823 11H 2s 0.003488 0.052839 0.032065 0.030176 -0.030220 -0.025224 11H 3s 0.000246 0.009705 0.010577 0.009066 -0.007465 -0.004810 11H 1pz 0.000347 0.004777 0.000499 0.000405 -0.000356 -0.000251 11H 1px 0.000318 0.004587 0.001974 0.001863 -0.001927 -0.001637 11H 1py -0.000187 -0.002928 -0.002873 -0.002793 0.002866 0.002499 12H 1s 0.003189 0.049187 0.026847 0.025614 -0.025249 -0.022291 12H 2s 0.003421 0.052634 0.033067 0.031182 -0.030536 -0.026973 12H 3s 0.001002 0.009477 0.011006 0.009974 -0.008928 -0.008418 12H 1pz -0.000088 -0.001201 -0.002651 -0.002588 0.002648 0.002301 12H 1px 0.000186 0.002999 0.001215 0.001142 -0.001155 -0.001069 12H 1py 0.000397 0.006459 0.002226 0.002088 -0.002041 -0.001720 13H 1s 0.048896 -0.002650 0.025472 -0.027042 -0.018970 0.029159 13H 2s 0.053393 -0.002873 0.031269 -0.032972 -0.022222 0.034781 13H 3s 0.004669 -0.000588 0.011102 -0.011328 -0.010776 0.015213 13H 1pz 0.005009 -0.000262 0.001458 -0.001525 -0.000925 0.001522 13H 1px -0.004812 0.000257 -0.003028 0.003242 0.002190 -0.003439 13H 1py -0.002836 0.000150 0.000360 -0.000433 -0.000300 0.000581 14H 1s 0.049450 -0.002685 0.025367 -0.026804 -0.018841 0.028639 14H 2s 0.052936 -0.002893 0.030809 -0.032198 -0.022100 0.033697 14H 3s 0.008116 -0.000811 0.010297 -0.010424 -0.008067 0.011331 14H 1pz 0.003860 -0.000198 0.000859 -0.000870 -0.000494 0.000784 14H 1px 0.006199 -0.000324 0.002396 -0.002511 -0.001737 0.002635 14H 1py 0.000773 -0.000049 0.002220 -0.002414 -0.001675 0.002726 15H 1s 0.050309 -0.002695 0.025164 -0.026558 -0.017641 0.028991 15H 2s 0.053571 -0.002986 0.030302 -0.031609 -0.021254 0.034476 15H 3s 0.009592 -0.000131 0.009365 -0.008679 -0.003874 0.007390 15H 1pz -0.004455 0.000248 -0.003329 0.003576 0.002564 -0.004061 15H 1px 0.001421 -0.000090 -0.000040 0.000069 0.000051 -0.000065 15H 1py -0.005840 0.000360 -0.000900 0.000869 0.000545 -0.000832 16H 1s -0.000218 -0.000286 0.000041 0.008631 -0.045602 0.001623 16H 2s -0.000119 -0.000438 0.002229 0.011477 -0.053230 0.001341 16H 3s -0.000048 -0.000722 -0.001149 0.003848 -0.015642 -0.001926 16H 1pz 0.000004 -0.000024 -0.000036 0.000661 -0.003228 -0.000010 16H 1px 0.000024 0.000060 -0.000725 -0.000721 0.002587 0.000102 16H 1py -0.000032 0.000017 -0.000113 0.000548 -0.003554 0.000727 17H 1s 0.000276 0.000234 -0.003300 -0.008406 0.045594 -0.004739 17H 2s 0.000355 0.000141 -0.001572 -0.010973 0.052758 -0.006250 17H 3s 0.000681 0.000104 -0.002222 -0.003362 0.014225 -0.004133 17H 1pz 0.000005 0.000018 0.000437 0.000004 -0.000302 0.000143 17H 1px -0.000051 -0.000018 -0.000263 0.000913 -0.003728 0.000686 17H 1py -0.000020 0.000041 -0.000409 -0.000588 0.004037 0.000144 18H 1s -0.000271 -0.000251 -0.003233 -0.008191 -0.045576 0.002989 18H 2s -0.000345 -0.000162 -0.001506 -0.010643 -0.052732 0.004219 18H 3s -0.000661 -0.000130 -0.002201 -0.003261 -0.014266 0.003574 18H 1pz 0.000003 0.000017 -0.000447 -0.000029 -0.000424 0.000131 18H 1px -0.000049 -0.000021 0.000265 -0.000890 -0.003761 0.000541 18H 1py -0.000021 0.000042 0.000395 0.000552 0.003999 0.000309 19H 1s 0.000206 0.000293 -0.000029 0.008401 0.045529 0.000131 19H 2s 0.000107 0.000461 0.002138 0.011279 0.053231 0.000678 19H 3s 0.000034 0.000749 -0.001187 0.003787 0.015640 0.002480 19H 1pz 0.000006 -0.000025 0.000045 -0.000629 -0.003129 -0.000146 19H 1px 0.000023 0.000064 0.000719 0.000722 0.002635 0.000190 19H 1py -0.000032 0.000015 0.000122 -0.000554 -0.003616 0.000579 20H 1s -0.051032 0.003437 0.025118 -0.026550 0.017595 -0.028997 20H 2s -0.054358 0.003786 0.030242 -0.031597 0.021187 -0.034468 20H 3s -0.009718 0.000267 0.009365 -0.008688 0.003875 -0.007429 20H 1pz -0.004528 0.000316 0.003324 -0.003578 0.002558 -0.004063 20H 1px 0.001495 -0.000115 0.000015 -0.000043 0.000032 -0.000034 20H 1py -0.005911 0.000445 0.000890 -0.000860 0.000535 -0.000820 21H 1s -0.050171 0.003414 0.025318 -0.026803 0.018787 -0.028634 21H 2s -0.053721 0.003674 0.030768 -0.032211 0.022046 -0.033715 21H 3s -0.008191 0.000933 0.010212 -0.010361 0.007955 -0.011206 21H 1pz 0.003954 -0.000256 -0.000877 0.000891 -0.000506 0.000805 21H 1px 0.006268 -0.000414 -0.002382 0.002500 -0.001726 0.002626 21H 1py 0.000800 -0.000062 -0.002225 0.002424 -0.001680 0.002739 22H 1s -0.049592 0.003368 0.025424 -0.027045 0.018935 -0.029196 22H 2s -0.054139 0.003654 0.031206 -0.032968 0.022180 -0.034823 22H 3s -0.004786 0.000681 0.011091 -0.011366 0.010776 -0.015277 22H 1pz 0.005044 -0.000332 -0.001438 0.001507 -0.000913 0.001507 22H 1px -0.004896 0.000328 0.003028 -0.003248 0.002188 -0.003447 22H 1py -0.002906 0.000194 -0.000344 0.000415 -0.000287 0.000562 23H 1s -0.002951 -0.050884 0.026708 0.025411 0.025464 0.022351 23H 2s -0.003162 -0.054428 0.032890 0.030927 0.030810 0.027053 23H 3s -0.000965 -0.009857 0.010928 0.009855 0.008887 0.008357 23H 1pz -0.000084 -0.001271 0.002651 0.002582 0.002688 0.002321 23H 1px 0.000165 0.003002 -0.001157 -0.001082 -0.001116 -0.001028 23H 1py 0.000368 0.006718 -0.002227 -0.002084 -0.002073 -0.001739 24H 1s -0.002935 -0.051263 0.026469 0.025122 0.025716 0.020904 24H 2s -0.003226 -0.054635 0.031911 0.029958 0.030497 0.025307 24H 3s -0.000199 -0.009945 0.010564 0.009047 0.007640 0.004904 24H 1pz 0.000322 0.004917 -0.000491 -0.000398 -0.000353 -0.000248 24H 1px 0.000299 0.004816 -0.002000 -0.001883 -0.001979 -0.001671 24H 1py -0.000169 -0.002971 0.002835 0.002749 0.002864 0.002484 25H 1s -0.002884 -0.049961 0.026494 0.025126 0.025116 0.021669 25H 2s -0.003070 -0.053462 0.032090 0.030145 0.029100 0.025088 25H 3s -0.000552 -0.006099 0.012130 0.011379 0.014498 0.013587 25H 1pz 0.000237 0.004173 -0.000296 -0.000226 -0.000091 -0.000109 25H 1px -0.000337 -0.005919 0.003352 0.003195 0.003092 0.002610 25H 1py 0.000074 0.001375 0.000506 0.000517 0.000558 0.000565 26O 1s 0.000823 0.012807 -0.014925 -0.014790 0.017153 0.014293 26O 2s 0.001968 0.030615 -0.035634 -0.035371 0.041053 0.034213 26O 3s -0.003008 -0.046743 0.052028 0.052548 -0.061546 -0.051415 26O 4s -0.003760 -0.058927 0.087175 0.083198 -0.092507 -0.076467 26O 5s -0.002999 -0.044337 0.060917 0.061343 -0.088895 -0.074398 26O 1pz -0.000863 -0.022923 0.027543 0.027052 -0.017251 -0.020105 26O 1px 0.000070 -0.004734 0.085104 0.079520 -0.089259 -0.074987 26O 1py -0.002006 -0.015288 0.049226 0.046727 -0.049656 -0.032357 26O 2pz -0.000809 -0.020708 0.024372 0.023606 -0.015691 -0.018045 26O 2px 0.000080 -0.003718 0.064817 0.060295 -0.067475 -0.056882 26O 2py -0.001777 -0.013816 0.039516 0.037337 -0.039801 -0.025492 26O 3pz -0.000765 -0.010104 0.003500 0.004863 -0.008994 -0.012120 26O 3px -0.000032 0.000009 0.023047 0.026925 -0.027700 -0.024731 26O 3py -0.000086 -0.006045 0.011756 0.013061 -0.018006 -0.013272 26O 1dz2 0.000040 0.000059 0.001411 0.001315 -0.001198 -0.001060 26O 1dxz 0.000052 0.000839 -0.000363 -0.000375 0.000310 0.000346 26O 1dyz 0.000008 0.000532 -0.000008 0.000078 0.000224 0.000298 26O 1dx2y2 -0.000015 -0.000287 -0.001530 -0.001353 0.001506 0.001254 26O 1dxy 0.000058 0.000448 -0.001558 -0.001383 0.001630 0.001235 26O 2dz2 0.000024 -0.000300 0.003327 0.003497 -0.003313 -0.003184 26O 2dxz 0.000205 0.002564 0.000714 0.000174 -0.000931 -0.000716 26O 2dyz 0.000003 0.000301 0.001947 0.002042 -0.002506 -0.001985 26O 2dx2y2 -0.000016 -0.001065 -0.003569 -0.003349 0.003526 0.002843 26O 2dxy 0.000041 0.000984 -0.002229 -0.002330 0.001867 0.001410 26O 1f0 0.000031 0.000407 -0.000239 -0.000237 0.000232 0.000213 26O 1f+1 -0.000019 -0.000341 -0.000271 -0.000266 0.000319 0.000198 26O 1f-1 -0.000013 -0.000202 0.000008 0.000163 0.000012 -0.000056 26O 1f+2 -0.000011 -0.000200 0.000032 -0.000004 0.000007 -0.000064 26O 1f-2 -0.000040 -0.000604 0.000516 0.000554 -0.000530 -0.000457 26O 1f+3 -0.000024 -0.000436 -0.000055 -0.000022 0.000033 0.000112 26O 1f-3 -0.000000 0.000063 -0.000754 -0.000750 0.000805 0.000629 27O 1s 0.012984 -0.000691 -0.014018 0.015321 0.012285 -0.018919 27O 2s 0.031028 -0.001650 -0.033448 0.036625 0.029376 -0.045269 27O 3s -0.047176 0.002495 0.048577 -0.054201 -0.043741 0.067792 27O 4s -0.060703 0.003276 0.082580 -0.086860 -0.067161 0.101774 27O 5s -0.046926 0.002399 0.061138 -0.065976 -0.065559 0.105711 27O 1pz -0.013561 0.001738 0.006827 -0.007973 0.004551 0.005674 27O 1px -0.008548 0.000657 0.087845 -0.089682 -0.066854 0.104265 27O 1py 0.023012 -0.000551 -0.034633 0.036588 0.022928 -0.029423 27O 2pz -0.012381 0.001560 0.007003 -0.007948 0.002758 0.006614 27O 2px -0.006533 0.000567 0.066682 -0.067921 -0.050478 0.078610 27O 2py 0.020496 -0.000548 -0.029302 0.030620 0.019908 -0.025129 27O 3pz -0.006469 0.000019 0.000721 -0.000066 -0.000617 0.006632 27O 3px -0.000183 0.000056 0.021377 -0.027921 -0.018924 0.029908 27O 3py 0.010050 -0.000519 -0.005758 0.007908 0.008590 -0.012927 27O 1dz2 -0.000261 0.000057 0.001264 -0.001225 -0.000897 0.001557 27O 1dxz 0.000587 -0.000047 0.000201 -0.000164 -0.000210 0.000134 27O 1dyz -0.000153 -0.000005 -0.000215 0.000333 -0.000076 0.000071 27O 1dx2y2 -0.000138 0.000022 -0.002092 0.002072 0.001460 -0.002227 27O 1dxy -0.000935 0.000036 0.000803 -0.000799 -0.000665 0.000989 27O 2dz2 0.000057 0.000044 0.001489 -0.001645 -0.000705 0.001558 27O 2dxz 0.001696 -0.000041 0.001510 -0.001411 -0.001338 0.001892 27O 2dyz 0.000734 -0.000059 -0.001571 0.002045 0.001487 -0.002546 27O 2dx2y2 -0.000509 0.000061 -0.004130 0.004663 0.003174 -0.004662 27O 2dxy -0.002277 0.000132 -0.000487 0.000065 0.000697 -0.001031 27O 1f0 0.000388 -0.000019 -0.000070 0.000187 0.000001 -0.000122 27O 1f+1 -0.000014 0.000004 -0.000495 0.000545 0.000404 -0.000579 27O 1f-1 -0.000149 0.000004 0.000114 -0.000095 -0.000105 0.000119 27O 1f+2 -0.000201 0.000010 -0.000146 0.000262 0.000174 -0.000162 27O 1f-2 0.000284 -0.000017 -0.000187 0.000254 0.000106 -0.000260 27O 1f+3 -0.000562 0.000029 -0.000233 0.000186 0.000146 -0.000288 27O 1f-3 -0.000517 0.000032 0.000506 -0.000543 -0.000395 0.000579 28O 1s 0.000845 0.013214 -0.014666 -0.014445 0.016568 0.013989 28O 2s 0.002019 0.031571 -0.035014 -0.034546 0.039645 0.033491 28O 3s -0.003071 -0.047940 0.051053 0.051300 -0.059324 -0.050418 28O 4s -0.003959 -0.062000 0.085386 0.081000 -0.089097 -0.073858 28O 5s -0.002405 -0.045559 0.067403 0.064557 -0.095402 -0.080775 28O 1pz -0.000906 -0.023136 0.072308 0.067521 -0.061122 -0.057817 28O 1px 0.000108 -0.004506 -0.062937 -0.057134 0.068712 0.053815 28O 1py -0.002003 -0.015381 0.020495 0.019492 -0.016493 -0.006884 28O 2pz -0.000829 -0.020140 0.057227 0.053310 -0.047692 -0.045803 28O 2px 0.000063 -0.004915 -0.045908 -0.041636 0.050298 0.039166 28O 2py -0.001765 -0.013819 0.017825 0.016795 -0.014766 -0.006394 28O 3pz -0.001040 -0.009873 0.014009 0.016885 -0.018820 -0.020300 28O 3px -0.000066 -0.004418 -0.016391 -0.020215 0.016527 0.013743 28O 3py -0.000308 -0.007492 0.002071 0.003018 -0.006981 -0.003711 28O 1dz2 0.000063 0.000730 -0.000098 -0.000069 0.000171 0.000194 28O 1dxz 0.000005 -0.000313 0.002227 0.001992 -0.001964 -0.001759 28O 1dyz 0.000036 0.000580 -0.000126 -0.000031 0.000405 0.000323 28O 1dx2y2 0.000008 -0.000378 -0.001334 -0.001132 0.001307 0.000975 28O 1dxy -0.000050 -0.000420 0.000431 0.000459 -0.000290 -0.000171 28O 2dz2 0.000190 0.001918 0.001448 0.001136 -0.001764 -0.001590 28O 2dxz -0.000070 -0.000866 0.003443 0.003746 -0.002918 -0.002958 28O 2dyz -0.000007 0.000353 0.001875 0.001933 -0.002491 -0.002027 28O 2dx2y2 -0.000048 -0.001492 -0.003020 -0.002886 0.002958 0.002277 28O 2dxy -0.000087 -0.001695 0.000155 0.000545 -0.000173 -0.000146 28O 1f0 -0.000022 -0.000429 -0.000020 -0.000020 0.000075 -0.000042 28O 1f+1 0.000035 0.000452 -0.000446 -0.000440 0.000383 0.000418 28O 1f-1 -0.000027 -0.000451 0.000386 0.000516 -0.000387 -0.000328 28O 1f+2 0.000022 0.000344 0.000396 0.000325 -0.000390 -0.000344 28O 1f-2 0.000021 0.000338 -0.000230 -0.000165 0.000246 0.000144 28O 1f+3 0.000023 0.000338 0.000194 0.000209 -0.000199 -0.000176 28O 1f-3 0.000007 0.000165 -0.000118 -0.000142 0.000119 0.000068 29O 1s 0.000072 -0.000081 0.000840 0.000028 -0.000138 -0.001034 29O 2s 0.000172 -0.000197 0.002098 0.000068 -0.000346 -0.002489 29O 3s -0.000263 0.000344 -0.004263 -0.000115 0.000674 0.003927 29O 4s -0.000345 0.000188 -0.000937 -0.000082 0.000281 0.004972 29O 5s -0.000377 0.000891 -0.010583 -0.000336 0.001372 0.006529 29O 1pz 0.000548 0.000613 -0.001425 -0.020725 0.114918 -0.006944 29O 1px 0.000190 0.000249 -0.008612 -0.007367 0.042776 -0.003925 29O 1py -0.000355 0.000231 0.001458 0.001613 -0.010116 0.009547 29O 2pz 0.000544 0.000652 -0.000555 -0.016955 0.094702 -0.005550 29O 2px 0.000250 0.000224 -0.008807 -0.005977 0.035296 -0.003687 29O 2py -0.000397 0.000264 0.001493 0.001292 -0.008245 0.007954 29O 3pz 0.000082 -0.000151 -0.001347 -0.005198 0.039269 -0.002659 29O 3px -0.000303 0.000077 -0.000584 -0.001969 0.014758 0.000460 29O 3py 0.000105 -0.000083 0.001031 0.000424 -0.003862 0.004880 29O 1dz2 -0.000009 -0.000009 0.000034 0.000300 -0.001499 0.000110 29O 1dxz 0.000009 0.000007 -0.000045 -0.000252 0.001338 -0.000128 29O 1dyz -0.000013 -0.000017 0.000066 0.000559 -0.002735 0.000184 29O 1dx2y2 -0.000001 0.000005 -0.000030 -0.000070 0.000382 0.000064 29O 1dxy -0.000009 -0.000003 0.000145 0.000238 -0.001198 0.000084 29O 2dz2 -0.000001 0.000055 -0.000103 0.000643 -0.003213 0.000541 29O 2dxz -0.000047 -0.000056 -0.000202 -0.000448 0.002548 -0.000178 29O 2dyz -0.000073 -0.000021 0.000110 0.001346 -0.006769 0.000485 29O 2dx2y2 -0.000052 0.000006 0.000000 -0.000064 0.000592 0.000414 29O 2dxy 0.000068 -0.000097 0.000639 0.000561 -0.002876 -0.000231 29O 1f0 0.000001 -0.000002 0.000074 -0.000088 0.000580 -0.000033 29O 1f+1 -0.000005 -0.000005 -0.000070 -0.000097 0.000567 -0.000036 29O 1f-1 0.000003 0.000000 0.000045 -0.000074 0.000529 -0.000013 29O 1f+2 0.000000 0.000008 -0.000058 -0.000002 -0.000006 0.000013 29O 1f-2 0.000001 -0.000007 0.000066 0.000144 -0.001017 0.000071 29O 1f+3 -0.000007 0.000003 -0.000063 -0.000029 0.000259 -0.000023 29O 1f-3 0.000009 -0.000005 -0.000080 -0.000060 0.000486 -0.000083 30O 1s 0.013291 -0.000711 -0.013963 0.015364 0.012407 -0.018948 30O 2s 0.031753 -0.001698 -0.033330 0.036742 0.029696 -0.045364 30O 3s -0.048167 0.002564 0.048598 -0.054568 -0.044577 0.068309 30O 4s -0.062475 0.003390 0.081411 -0.086020 -0.066399 0.100208 30O 5s -0.046190 0.002137 0.060123 -0.067368 -0.067093 0.105114 30O 1pz -0.013897 0.001756 0.052019 -0.054443 -0.033414 0.061724 30O 1px -0.008493 0.000653 -0.051666 0.052843 0.047117 -0.066941 30O 1py 0.023459 -0.000568 -0.060149 0.063796 0.045661 -0.061628 30O 2pz -0.011934 0.001514 0.041153 -0.042729 -0.025486 0.048472 30O 2px -0.008480 0.000635 -0.037244 0.038027 0.034456 -0.048362 30O 2py 0.020363 -0.000491 -0.048661 0.051352 0.036679 -0.049383 30O 3pz -0.005497 0.000212 0.010731 -0.015108 -0.011779 0.023484 30O 3px -0.006316 0.000288 -0.015488 0.019627 0.012852 -0.017755 30O 3py 0.010092 -0.000845 -0.011138 0.015123 0.015864 -0.023473 30O 1dz2 0.000151 0.000004 0.000403 -0.000346 -0.000388 0.000542 30O 1dxz 0.000036 0.000034 0.001473 -0.001468 -0.000975 0.001651 30O 1dyz -0.000714 0.000026 0.000883 -0.000807 -0.000834 0.001281 30O 1dx2y2 -0.000850 0.000067 -0.000572 0.000554 0.000442 -0.000532 30O 1dxy 0.000232 0.000012 -0.001665 0.001731 0.001197 -0.001667 30O 2dz2 0.001227 -0.000009 0.000475 -0.000222 -0.000210 0.000464 30O 2dxz 0.000010 0.000015 0.003068 -0.003504 -0.002166 0.003818 30O 2dyz -0.000750 0.000010 -0.000227 0.000224 0.000576 -0.001065 30O 2dx2y2 -0.002414 0.000166 -0.002673 0.002492 0.002276 -0.003227 30O 2dxy 0.001128 -0.000081 -0.003074 0.003766 0.002398 -0.003767 30O 1f0 0.000067 -0.000002 -0.000463 0.000601 0.000414 -0.000559 30O 1f+1 0.000162 -0.000005 -0.000043 0.000088 -0.000024 -0.000079 30O 1f-1 0.000281 -0.000020 -0.000271 0.000320 0.000154 -0.000378 30O 1f+2 0.000735 -0.000042 -0.000261 0.000393 0.000210 -0.000324 30O 1f-2 -0.000110 0.000005 0.000576 -0.000555 -0.000454 0.000687 30O 1f+3 0.000408 -0.000023 -0.000157 0.000128 0.000145 -0.000157 30O 1f-3 0.000414 -0.000020 0.000199 -0.000217 -0.000177 0.000235 31O 1s -0.013488 0.000914 -0.013931 0.015368 -0.012389 0.018970 31O 2s -0.032225 0.002182 -0.033255 0.036751 -0.029652 0.045416 31O 3s 0.048875 -0.003298 0.048486 -0.054584 0.044513 -0.068387 31O 4s 0.063459 -0.004372 0.081236 -0.086024 0.066278 -0.100303 31O 5s 0.046746 -0.002749 0.059891 -0.067355 0.066987 -0.105199 31O 1pz -0.014133 0.001973 -0.051934 0.054415 -0.033436 0.061857 31O 1px -0.008600 0.000776 0.051555 -0.052897 0.047135 -0.067114 31O 1py 0.023854 -0.000930 0.060031 -0.063839 0.045649 -0.061825 31O 2pz -0.012126 0.001690 -0.041093 0.042712 -0.025515 0.048584 31O 2px -0.008598 0.000763 0.037167 -0.038079 0.034484 -0.048507 31O 2py 0.020699 -0.000790 0.048567 -0.051388 0.036675 -0.049550 31O 3pz -0.005549 0.000249 -0.010698 0.015068 -0.011789 0.023502 31O 3px -0.006355 0.000350 0.015510 -0.019681 0.012882 -0.017848 31O 3py 0.010199 -0.000911 0.011143 -0.015161 0.015920 -0.023544 31O 1dz2 -0.000154 -0.000001 0.000402 -0.000346 0.000388 -0.000542 31O 1dxz -0.000035 -0.000034 0.001471 -0.001468 0.000975 -0.001655 31O 1dyz 0.000722 -0.000033 0.000880 -0.000806 0.000834 -0.001283 31O 1dx2y2 0.000861 -0.000078 -0.000571 0.000556 -0.000442 0.000534 31O 1dxy -0.000237 -0.000008 -0.001662 0.001731 -0.001195 0.001671 31O 2dz2 -0.001245 0.000027 0.000471 -0.000218 0.000208 -0.000456 31O 2dxz -0.000010 -0.000012 0.003066 -0.003507 0.002168 -0.003829 31O 2dyz 0.000768 -0.000027 -0.000226 0.000221 -0.000572 0.001063 31O 2dx2y2 0.002452 -0.000207 -0.002670 0.002499 -0.002276 0.003231 31O 2dxy -0.001146 0.000095 -0.003067 0.003766 -0.002400 0.003774 31O 1f0 0.000069 -0.000004 0.000462 -0.000602 0.000414 -0.000561 31O 1f+1 0.000164 -0.000007 0.000043 -0.000087 -0.000024 -0.000079 31O 1f-1 0.000285 -0.000024 0.000271 -0.000319 0.000154 -0.000379 31O 1f+2 0.000746 -0.000053 0.000261 -0.000393 0.000210 -0.000325 31O 1f-2 -0.000112 0.000005 -0.000574 0.000556 -0.000455 0.000689 31O 1f+3 0.000414 -0.000029 0.000156 -0.000128 0.000146 -0.000159 31O 1f-3 0.000420 -0.000026 -0.000199 0.000218 -0.000177 0.000236 32O 1s -0.000071 0.000084 0.000837 0.000025 0.000126 0.001035 32O 2s -0.000170 0.000204 0.002091 0.000062 0.000317 0.002492 32O 3s 0.000259 -0.000354 -0.004254 -0.000110 -0.000648 -0.003930 32O 4s 0.000338 -0.000205 -0.000912 -0.000039 -0.000148 -0.004987 32O 5s 0.000381 -0.000885 -0.010567 -0.000481 -0.001449 -0.006505 32O 1pz 0.000535 0.000627 0.001322 0.020224 0.115165 -0.002724 32O 1px 0.000191 0.000264 0.008545 0.007096 0.042333 -0.002363 32O 1py -0.000349 0.000235 -0.001371 -0.001107 -0.007349 0.009069 32O 2pz 0.000532 0.000663 0.000480 0.016541 0.094904 -0.002084 32O 2px 0.000253 0.000241 0.008753 0.005758 0.034931 -0.002401 32O 2py -0.000390 0.000269 -0.001418 -0.000884 -0.005980 0.007563 32O 3pz 0.000083 -0.000177 0.001325 0.005015 0.039285 -0.001201 32O 3px -0.000291 0.000087 0.000550 0.001902 0.014572 0.000992 32O 3py 0.000102 -0.000091 -0.000998 -0.000370 -0.002941 0.004724 32O 1dz2 0.000008 0.000009 0.000029 0.000271 0.001381 -0.000048 32O 1dxz -0.000009 -0.000008 -0.000047 -0.000256 -0.001392 0.000077 32O 1dyz 0.000012 0.000018 0.000062 0.000554 0.002777 -0.000083 32O 1dx2y2 0.000000 -0.000006 -0.000032 -0.000081 -0.000450 -0.000077 32O 1dxy 0.000008 0.000004 0.000141 0.000222 0.001144 -0.000038 32O 2dz2 -0.000001 -0.000058 -0.000110 0.000580 0.002917 -0.000405 32O 2dxz 0.000045 0.000053 -0.000210 -0.000464 -0.002688 0.000073 32O 2dyz 0.000073 0.000020 0.000097 0.001327 0.006850 -0.000245 32O 2dx2y2 0.000053 -0.000004 -0.000011 -0.000084 -0.000770 -0.000437 32O 2dxy -0.000067 0.000098 0.000627 0.000534 0.002773 0.000337 32O 1f0 0.000001 -0.000003 -0.000071 0.000080 0.000559 -0.000011 32O 1f+1 -0.000005 -0.000005 0.000072 0.000100 0.000591 -0.000014 32O 1f-1 0.000003 -0.000000 -0.000048 0.000075 0.000555 0.000007 32O 1f+2 0.000000 0.000008 0.000062 0.000002 -0.000006 0.000011 32O 1f-2 0.000001 -0.000007 -0.000062 -0.000138 -0.001005 0.000031 32O 1f+3 -0.000007 0.000003 0.000060 0.000021 0.000218 -0.000011 32O 1f-3 0.000008 -0.000005 0.000079 0.000056 0.000482 -0.000064 33O 1s -0.000778 -0.013667 -0.014575 -0.014315 -0.016686 -0.014007 33O 2s -0.001860 -0.032652 -0.034795 -0.034236 -0.039928 -0.033536 33O 3s 0.002829 0.049562 0.050728 0.050838 0.059735 0.050491 33O 4s 0.003639 0.064270 0.084880 0.080301 0.089800 0.073950 33O 5s 0.002199 0.046774 0.066931 0.063841 0.095976 0.080855 33O 1pz -0.000788 -0.023983 -0.071842 -0.066902 -0.061573 -0.057765 33O 1px 0.000130 -0.004596 0.062554 0.056614 0.069139 0.053823 33O 1py -0.001929 -0.016019 -0.020457 -0.019445 -0.016729 -0.006965 33O 2pz -0.000731 -0.020843 -0.056869 -0.052827 -0.048050 -0.045756 33O 2px 0.000090 -0.005047 0.045624 0.041252 0.050597 0.039164 33O 2py -0.001702 -0.014372 -0.017787 -0.016746 -0.014969 -0.006451 33O 3pz -0.001018 -0.010069 -0.013846 -0.016626 -0.018814 -0.020273 33O 3px -0.000049 -0.004477 0.016283 0.020070 0.016603 0.013761 33O 3py -0.000287 -0.007650 -0.002035 -0.002965 -0.006970 -0.003752 33O 1dz2 -0.000060 -0.000749 -0.000094 -0.000064 -0.000169 -0.000191 33O 1dxz -0.000006 0.000327 0.002213 0.001974 0.001980 0.001759 33O 1dyz -0.000034 -0.000596 -0.000126 -0.000030 -0.000407 -0.000323 33O 1dx2y2 -0.000010 0.000390 -0.001327 -0.001122 -0.001316 -0.000976 33O 1dxy 0.000048 0.000439 0.000432 0.000460 0.000298 0.000175 33O 2dz2 -0.000178 -0.001979 0.001439 0.001122 0.001777 0.001597 33O 2dxz 0.000066 0.000897 0.003421 0.003716 0.002935 0.002958 33O 2dyz 0.000011 -0.000380 0.001863 0.001911 0.002510 0.002028 33O 2dx2y2 0.000040 0.001545 -0.003003 -0.002863 -0.002980 -0.002286 33O 2dxy 0.000079 0.001757 0.000156 0.000547 0.000177 0.000147 33O 1f0 -0.000019 -0.000441 0.000021 0.000021 0.000076 -0.000041 33O 1f+1 0.000033 0.000466 0.000442 0.000435 0.000384 0.000415 33O 1f-1 -0.000024 -0.000467 -0.000385 -0.000514 -0.000392 -0.000329 33O 1f+2 0.000020 0.000356 -0.000393 -0.000321 -0.000391 -0.000344 33O 1f-2 0.000020 0.000351 0.000230 0.000165 0.000249 0.000145 33O 1f+3 0.000021 0.000351 -0.000193 -0.000207 -0.000201 -0.000177 33O 1f-3 0.000006 0.000171 0.000118 0.000142 0.000120 0.000068 34O 1s -0.013170 0.000888 -0.013989 0.015326 -0.012252 0.018919 34O 2s -0.031472 0.002121 -0.033379 0.036636 -0.029297 0.045268 34O 3s 0.047847 -0.003212 0.048466 -0.054215 0.043617 -0.067795 34O 4s 0.061613 -0.004226 0.082451 -0.086903 0.067010 -0.101774 34O 5s 0.047426 -0.003011 0.060932 -0.065954 0.065419 -0.105657 34O 1pz -0.013766 0.001945 -0.006811 0.007878 0.004609 0.005623 34O 1px -0.008709 0.000797 -0.087688 0.089698 -0.066586 0.104145 34O 1py 0.023375 -0.000902 0.034595 -0.036635 0.022823 -0.029385 34O 2pz -0.012565 0.001744 -0.006997 0.007873 0.002807 0.006576 34O 2px -0.006661 0.000663 -0.066563 0.067930 -0.050261 0.078508 34O 2py 0.020815 -0.000850 0.029271 -0.030655 0.019822 -0.025086 34O 3pz -0.006504 0.000060 -0.000672 0.000008 -0.000588 0.006591 34O 3px -0.000199 0.000044 -0.021317 0.027906 -0.018768 0.029904 34O 3py 0.010133 -0.000588 0.005751 -0.007953 0.008549 -0.012984 34O 1dz2 0.000264 -0.000059 0.001262 -0.001225 0.000894 -0.001556 34O 1dxz -0.000594 0.000054 0.000202 -0.000167 0.000211 -0.000136 34O 1dyz 0.000153 0.000005 -0.000215 0.000333 0.000076 -0.000070 34O 1dx2y2 0.000139 -0.000024 -0.002088 0.002072 -0.001455 0.002224 34O 1dxy 0.000947 -0.000048 0.000802 -0.000799 0.000663 -0.000988 34O 2dz2 -0.000053 -0.000045 0.001486 -0.001643 0.000697 -0.001557 34O 2dxz -0.001721 0.000070 0.001508 -0.001413 0.001337 -0.001896 34O 2dyz -0.000740 0.000065 -0.001568 0.002045 -0.001479 0.002542 34O 2dx2y2 0.000514 -0.000071 -0.004122 0.004665 -0.003158 0.004661 34O 2dxy 0.002312 -0.000170 -0.000485 0.000064 -0.000703 0.001031 34O 1f0 0.000394 -0.000025 0.000070 -0.000185 -0.000000 -0.000121 34O 1f+1 -0.000014 0.000004 0.000494 -0.000545 0.000402 -0.000578 34O 1f-1 -0.000151 0.000006 -0.000113 0.000095 -0.000104 0.000118 34O 1f+2 -0.000204 0.000013 0.000146 -0.000263 0.000174 -0.000163 34O 1f-2 0.000288 -0.000021 0.000186 -0.000254 0.000105 -0.000260 34O 1f+3 -0.000570 0.000037 0.000232 -0.000186 0.000146 -0.000287 34O 1f-3 -0.000525 0.000039 -0.000506 0.000544 -0.000393 0.000578 35O 1s -0.000758 -0.013243 -0.014839 -0.014665 -0.017289 -0.014340 35O 2s -0.001813 -0.031657 -0.035427 -0.035072 -0.041376 -0.034326 35O 3s 0.002771 0.048313 0.051716 0.052093 0.062020 0.051579 35O 4s 0.003455 0.061077 0.086724 0.082556 0.093299 0.076745 35O 5s 0.002783 0.045614 0.060333 0.060574 0.089313 0.074500 35O 1pz -0.000747 -0.023732 -0.027482 -0.026932 -0.017541 -0.020217 35O 1px 0.000096 -0.004944 -0.084669 -0.078877 -0.090034 -0.075363 35O 1py -0.001930 -0.015945 -0.049073 -0.046487 -0.050165 -0.032671 35O 2pz -0.000708 -0.021424 -0.024315 -0.023498 -0.015947 -0.018145 35O 2px 0.000096 -0.003843 -0.064506 -0.059815 -0.068080 -0.057186 35O 2py -0.001715 -0.014382 -0.039405 -0.037151 -0.040221 -0.025756 35O 3pz -0.000745 -0.010253 -0.003482 -0.004796 -0.009069 -0.012148 35O 3px -0.000052 0.000020 -0.022953 -0.026712 -0.027957 -0.024867 35O 3py -0.000078 -0.006145 -0.011707 -0.012963 -0.018135 -0.013363 35O 1dz2 -0.000040 -0.000056 0.001405 0.001307 0.001211 0.001065 35O 1dxz -0.000048 -0.000864 -0.000362 -0.000371 -0.000312 -0.000346 35O 1dyz -0.000007 -0.000544 -0.000007 0.000080 -0.000224 -0.000298 35O 1dx2y2 0.000014 0.000298 -0.001522 -0.001341 -0.001518 -0.001259 35O 1dxy -0.000057 -0.000465 -0.001552 -0.001373 -0.001645 -0.001242 35O 2dz2 -0.000023 0.000306 0.003313 0.003472 0.003346 0.003196 35O 2dxz -0.000191 -0.002648 0.000706 0.000164 0.000927 0.000709 35O 2dyz 0.000001 -0.000322 0.001940 0.002030 0.002528 0.001993 35O 2dx2y2 0.000010 0.001112 -0.003555 -0.003323 -0.003555 -0.002851 35O 2dxy -0.000036 -0.001026 -0.002226 -0.002322 -0.001898 -0.001425 35O 1f0 0.000030 0.000420 0.000238 0.000236 0.000235 0.000215 35O 1f+1 -0.000017 -0.000351 0.000271 0.000265 0.000322 0.000201 35O 1f-1 -0.000012 -0.000209 -0.000008 -0.000163 0.000011 -0.000055 35O 1f+2 -0.000010 -0.000204 -0.000031 0.000005 0.000007 -0.000064 35O 1f-2 -0.000037 -0.000625 -0.000514 -0.000551 -0.000536 -0.000460 35O 1f+3 -0.000022 -0.000453 0.000053 0.000019 0.000031 0.000109 35O 1f-3 -0.000000 0.000065 0.000751 0.000744 0.000813 0.000634 72 73 74 75 76 77 -0.52477 -0.52165 -0.49337 -0.48770 -0.46737 -0.46609 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s -0.000031 0.000027 0.004455 -0.000118 -0.000100 -0.000024 0Rh 2s 0.000119 -0.000099 -0.016867 0.000450 0.000374 0.000090 0Rh 3s -0.000103 0.000096 0.015291 -0.000402 -0.000346 -0.000081 0Rh 4s -0.000499 0.000412 0.070973 -0.001897 -0.001573 -0.000383 0Rh 5s 0.000393 -0.000274 -0.053384 0.001448 0.001118 0.000322 0Rh 6s 0.000733 -0.000761 -0.111416 0.002919 0.002738 0.000440 0Rh 7s -0.000559 0.001215 0.146635 -0.003908 -0.001777 0.000334 0Rh 8s -0.001134 0.002175 0.029419 -0.000648 -0.008469 0.000213 0Rh 1pz 0.002292 -0.004048 0.000533 -0.000071 0.003163 -0.012723 0Rh 1px 0.000700 -0.001419 -0.001757 0.000033 -0.001515 -0.004581 0Rh 1py -0.000102 0.000269 -0.000419 0.000030 0.013522 0.002497 0Rh 2pz -0.007717 0.013661 -0.001784 0.000233 -0.010680 0.042961 0Rh 2px -0.002358 0.004785 0.005875 -0.000110 0.005122 0.015469 0Rh 2py 0.000343 -0.000906 0.001399 -0.000103 -0.045655 -0.008429 0Rh 3pz 0.005817 -0.010823 0.001136 -0.000080 0.008444 -0.033858 0Rh 3px 0.001785 -0.003751 -0.003647 0.000081 -0.004153 -0.012207 0Rh 3py -0.000259 0.000699 -0.000825 0.000113 0.035924 0.006619 0Rh 4pz 0.010676 -0.017510 0.003197 -0.000646 0.013933 -0.056459 0Rh 4px 0.003228 -0.006267 -0.010921 0.000157 -0.006312 -0.020248 0Rh 4py -0.000466 0.001232 -0.002763 0.000025 0.060127 0.011165 0Rh 5pz -0.001082 0.002183 -0.001437 0.000512 -0.001360 0.006004 0Rh 5px -0.000262 0.000975 0.005403 -0.000014 0.000061 0.001961 0Rh 5py -0.000015 -0.000308 0.001580 0.000130 -0.006425 -0.001340 0Rh 6pz -0.015115 -0.011494 0.010050 -0.000617 0.002677 -0.005417 0Rh 6px -0.005213 -0.005820 -0.028923 0.000068 -0.000585 -0.000351 0Rh 6py 0.002237 0.002626 -0.007131 0.000605 0.002735 0.001442 0Rh 1dz2 -0.002025 -0.002248 -0.010728 -0.018092 -0.001022 0.003840 0Rh 1dxz 0.005427 0.002831 -0.013755 0.001934 0.001889 -0.006117 0Rh 1dyz 0.003890 -0.000698 -0.003821 -0.045413 -0.002723 -0.001831 0Rh 1dx2y2 0.002078 0.000874 0.020343 -0.007331 -0.001537 -0.002573 0Rh 1dxy 0.000752 -0.000656 0.007719 -0.018077 0.008777 0.001064 0Rh 2dz2 -0.000007 0.000010 0.000232 0.000362 0.000031 -0.000104 0Rh 2dxz -0.000053 -0.000016 0.000299 -0.000025 -0.000049 0.000168 0Rh 2dyz -0.000093 -0.000005 0.000077 0.000925 0.000074 0.000052 0Rh 2dx2y2 -0.000022 -0.000007 -0.000440 0.000158 0.000051 0.000077 0Rh 2dxy -0.000028 -0.000002 -0.000163 0.000362 -0.000243 -0.000027 0Rh 3dz2 0.003087 0.003313 0.015048 0.025563 0.001433 -0.005443 0Rh 3dxz -0.007940 -0.004176 0.019337 -0.002782 -0.002699 0.008684 0Rh 3dyz -0.005415 0.001043 0.005389 0.064122 0.003863 0.002591 0Rh 3dx2y2 -0.003027 -0.001281 -0.028520 0.010334 0.002154 0.003622 0Rh 3dxy -0.000998 0.000979 -0.010877 0.025561 -0.012442 -0.001518 0Rh 4dz2 0.003274 0.003999 0.021277 0.035590 0.002028 -0.007482 0Rh 4dxz -0.009731 -0.005025 0.027213 -0.003678 -0.003625 0.011849 0Rh 4dyz -0.007783 0.001165 0.007518 0.089375 0.005305 0.003523 0Rh 4dx2y2 -0.003767 -0.001589 -0.040423 0.014463 0.003044 0.005049 0Rh 4dxy -0.001648 0.001118 -0.015196 0.035525 -0.017055 -0.002054 0Rh 5dz2 0.004853 0.004597 0.017220 0.028128 0.001431 -0.006319 0Rh 5dxz -0.010919 -0.005896 0.022261 -0.003316 -0.003451 0.010730 0Rh 5dyz -0.006037 0.001721 0.006110 0.070693 0.004183 0.003718 0Rh 5dx2y2 -0.004089 -0.001593 -0.032547 0.011459 0.002729 0.004293 0Rh 5dxy -0.000858 0.001533 -0.012501 0.028310 -0.014880 -0.001744 0Rh 1f0 0.000482 -0.000158 -0.000425 -0.000333 -0.002869 -0.001459 0Rh 1f+1 0.000851 0.001393 0.000384 0.000428 -0.000849 0.001793 0Rh 1f-1 -0.000209 0.001446 0.000102 -0.000532 -0.004721 0.003367 0Rh 1f+2 -0.000281 -0.002427 0.000515 -0.000304 -0.000111 -0.005353 0Rh 1f-2 -0.000236 -0.000413 0.000256 0.001057 -0.003887 -0.001322 0Rh 1f+3 0.000187 0.001292 0.000650 -0.000169 0.001909 0.003089 0Rh 1f-3 0.000018 -0.000196 0.000390 -0.000571 -0.001909 -0.000604 1Rh 1s -0.000033 -0.000022 -0.004452 0.000118 -0.000094 -0.000033 1Rh 2s 0.000129 0.000078 0.016855 -0.000451 0.000351 0.000125 1Rh 3s -0.000112 -0.000077 -0.015278 0.000402 -0.000324 -0.000113 1Rh 4s -0.000542 -0.000324 -0.070923 0.001901 -0.001475 -0.000528 1Rh 5s 0.000426 0.000206 0.053347 -0.001452 0.001047 0.000430 1Rh 6s 0.000796 0.000628 0.111333 -0.002921 0.002575 0.000678 1Rh 7s -0.000667 -0.001093 -0.146536 0.003864 -0.001539 0.000033 1Rh 8s -0.000954 -0.002059 -0.029425 0.000735 -0.008370 -0.000178 1Rh 1pz -0.002338 -0.004013 0.000507 -0.000091 -0.003161 0.012728 1Rh 1px -0.000752 -0.001412 -0.001768 0.000027 0.001518 0.004571 1Rh 1py 0.000272 0.000318 -0.000436 0.000001 -0.013525 -0.002494 1Rh 2pz 0.007873 0.013544 -0.001695 0.000301 0.010675 -0.042976 1Rh 2px 0.002531 0.004763 0.005911 -0.000091 -0.005132 -0.015434 1Rh 2py -0.000918 -0.001070 0.001454 -0.000004 0.045663 0.008418 1Rh 3pz -0.005941 -0.010734 0.001062 -0.000135 -0.008442 0.033870 1Rh 3px -0.001921 -0.003736 -0.003674 0.000065 0.004158 0.012181 1Rh 3py 0.000716 0.000822 -0.000870 0.000035 -0.035932 -0.006608 1Rh 4pz -0.010872 -0.017352 0.003095 -0.000733 -0.013922 0.056480 1Rh 4px -0.003451 -0.006232 -0.010973 0.000137 0.006334 0.020198 1Rh 4py 0.001196 0.001468 -0.002832 -0.000104 -0.060138 -0.011161 1Rh 5pz 0.001092 0.002177 -0.001453 0.000520 0.001356 -0.006013 1Rh 5px 0.000291 0.000964 0.005413 -0.000023 -0.000072 -0.001954 1Rh 5py -0.000051 -0.000347 0.001580 0.000144 0.006428 0.001352 1Rh 6pz 0.015173 -0.011815 0.010143 -0.000710 -0.002800 0.005458 1Rh 6px 0.005093 -0.005926 -0.028884 0.000122 0.000569 0.000358 1Rh 6py -0.002212 0.002611 -0.007138 0.000480 -0.002702 -0.001394 1Rh 1dz2 -0.001980 0.002261 0.010754 0.018078 -0.001066 0.003875 1Rh 1dxz 0.005430 -0.002941 0.013819 -0.001934 0.001833 -0.006114 1Rh 1dyz 0.003910 0.000693 0.003822 0.045455 -0.002851 -0.001780 1Rh 1dx2y2 0.002072 -0.000863 -0.020426 0.007327 -0.001540 -0.002619 1Rh 1dxy 0.000815 0.000518 -0.007734 0.018114 0.008744 0.001129 1Rh 2dz2 -0.000007 -0.000010 -0.000232 -0.000362 0.000032 -0.000105 1Rh 2dxz -0.000053 0.000017 -0.000300 0.000024 -0.000048 0.000168 1Rh 2dyz -0.000093 0.000006 -0.000077 -0.000925 0.000077 0.000051 1Rh 2dx2y2 -0.000022 0.000007 0.000441 -0.000157 0.000051 0.000078 1Rh 2dxy -0.000028 0.000003 0.000163 -0.000362 -0.000242 -0.000028 1Rh 3dz2 0.003019 -0.003332 -0.015089 -0.025543 0.001495 -0.005493 1Rh 3dxz -0.007948 0.004340 -0.019433 0.002782 -0.002618 0.008680 1Rh 3dyz -0.005441 -0.001040 -0.005392 -0.064184 0.004044 0.002518 1Rh 3dx2y2 -0.003019 0.001265 0.028644 -0.010331 0.002158 0.003687 1Rh 3dxy -0.001093 -0.000777 0.010900 -0.025613 -0.012395 -0.001611 1Rh 4dz2 0.003197 -0.004019 -0.021333 -0.035567 0.002112 -0.007552 1Rh 4dxz -0.009732 0.005214 -0.027341 0.003678 -0.003517 0.011847 1Rh 4dyz -0.007825 -0.001148 -0.007519 -0.089463 0.005558 0.003426 1Rh 4dx2y2 -0.003753 0.001563 0.040593 -0.014453 0.003050 0.005142 1Rh 4dxy -0.001753 -0.000871 0.015226 -0.035601 -0.016993 -0.002177 1Rh 5dz2 0.004759 -0.004622 -0.017234 -0.028082 0.001515 -0.006382 1Rh 5dxz -0.010936 0.006138 -0.022332 0.003318 -0.003349 0.010715 1Rh 5dyz -0.006049 -0.001727 -0.006105 -0.070712 0.004392 0.003618 1Rh 5dx2y2 -0.004090 0.001579 0.032625 -0.011456 0.002728 0.004356 1Rh 5dxy -0.001000 -0.001251 0.012512 -0.028352 -0.014821 -0.001860 1Rh 1f0 -0.000532 -0.000153 -0.000422 -0.000328 0.002869 0.001460 1Rh 1f+1 -0.000840 0.001403 0.000390 0.000433 0.000850 -0.001793 1Rh 1f-1 0.000168 0.001440 0.000111 -0.000515 0.004727 -0.003369 1Rh 1f+2 0.000241 -0.002440 0.000506 -0.000308 0.000105 0.005354 1Rh 1f-2 0.000163 -0.000410 0.000260 0.001064 0.003885 0.001321 1Rh 1f+3 -0.000132 0.001289 0.000652 -0.000167 -0.001907 -0.003088 1Rh 1f-3 -0.000072 -0.000173 0.000390 -0.000570 0.001909 0.000597 2C 1s 0.001544 0.007420 0.000528 0.000372 0.000515 -0.000335 2C 2s 0.003334 0.016007 0.001132 0.000801 0.001129 -0.000740 2C 3s -0.004986 -0.023082 -0.001741 -0.001326 -0.001784 0.001195 2C 4s -0.008202 -0.044122 -0.002916 -0.001690 -0.002839 0.001816 2C 5s -0.003399 0.003875 -0.003387 -0.005325 -0.021252 0.018009 2C 1pz 0.007398 0.033309 0.016444 0.015490 0.021240 -0.019248 2C 1px -0.001815 0.006328 -0.043108 -0.042655 -0.054281 0.054850 2C 1py 0.003609 0.021108 -0.006344 -0.006952 -0.008794 0.009105 2C 2pz 0.004680 0.019459 0.011373 0.010793 0.014597 -0.013608 2C 2px -0.000922 0.003333 -0.030729 -0.030563 -0.040352 0.040939 2C 2py 0.002116 0.011684 -0.004630 -0.005195 -0.007402 0.007186 2C 3pz 0.001029 0.008203 0.003673 0.003430 0.003167 -0.001980 2C 3px -0.000835 0.004015 -0.013844 -0.013554 -0.016926 0.016161 2C 3py 0.000851 0.005382 -0.002909 -0.003251 -0.005394 0.004614 2C 1dz2 0.000360 0.001432 0.000992 0.000897 0.001041 -0.000961 2C 1dxz 0.000029 0.000619 -0.000696 -0.000616 -0.000460 0.000465 2C 1dyz 0.000355 0.002043 -0.000488 -0.000553 -0.000753 0.000855 2C 1dx2y2 -0.000218 -0.000639 -0.001269 -0.001254 -0.001682 0.001711 2C 1dxy -0.000012 0.000409 -0.000776 -0.000709 -0.000701 0.000663 2C 2dz2 0.000109 0.000037 0.001263 0.001235 0.001218 -0.001191 2C 2dxz -0.000179 0.000479 -0.002304 -0.002205 -0.002555 0.002384 2C 2dyz 0.000244 -0.000489 0.000052 0.000030 0.000140 -0.000244 2C 2dx2y2 0.000026 -0.000414 -0.000088 0.000085 0.000340 -0.000360 2C 2dxy -0.000039 -0.000135 -0.001771 -0.001673 -0.001658 0.001783 2C 1f0 0.000013 -0.000137 0.000787 0.000756 0.000807 -0.000817 2C 1f+1 -0.000028 -0.000056 -0.000804 -0.000746 -0.000812 0.000843 2C 1f-1 -0.000017 -0.000221 0.000431 0.000401 0.000432 -0.000415 2C 1f+2 0.000044 0.000478 -0.000258 -0.000245 -0.000244 0.000260 2C 1f-2 -0.000155 -0.000499 -0.001169 -0.001084 -0.001242 0.001197 2C 1f+3 0.000039 0.000395 -0.000502 -0.000482 -0.000534 0.000494 2C 1f-3 0.000049 0.000042 0.000219 0.000196 0.000189 -0.000186 3C 1s -0.000886 0.006074 0.000066 -0.000186 -0.000031 -0.000123 3C 2s -0.001909 0.013121 0.000142 -0.000405 -0.000084 -0.000286 3C 3s 0.002768 -0.019348 -0.000262 0.000727 0.000178 0.000630 3C 4s 0.004961 -0.034096 -0.000423 0.000732 0.000069 -0.000329 3C 5s -0.000048 -0.003726 -0.000843 0.005871 0.016182 0.009667 3C 1pz -0.001257 0.015665 0.013290 -0.014852 -0.016201 -0.018200 3C 1px -0.004042 0.011389 -0.041441 0.045202 0.054635 0.056377 3C 1py 0.003262 -0.026475 -0.007282 0.008863 0.009631 0.010150 3C 2pz -0.000891 0.010148 0.009447 -0.010507 -0.011869 -0.013596 3C 2px -0.002482 0.006726 -0.029701 0.032599 0.040916 0.042117 3C 2py 0.002468 -0.015137 -0.005159 0.006144 0.006955 0.007770 3C 3pz -0.000351 0.000492 0.003871 -0.003729 -0.002276 -0.004007 3C 3px -0.001319 0.004140 -0.013654 0.014963 0.017127 0.017510 3C 3py 0.000251 -0.007391 -0.002208 0.001779 -0.000376 0.002169 3C 1dz2 0.000080 -0.000293 0.000410 -0.000402 -0.000358 -0.000419 3C 1dxz -0.000085 0.000565 0.000527 -0.000663 -0.001053 -0.001063 3C 1dyz 0.000179 -0.001437 0.000021 -0.000037 -0.000292 -0.000290 3C 1dx2y2 0.000079 -0.001076 -0.000952 0.001031 0.001037 0.001117 3C 1dxy 0.000251 -0.001026 0.001417 -0.001457 -0.001580 -0.001552 3C 2dz2 0.000080 0.000297 0.000614 -0.000642 -0.000550 -0.000535 3C 2dxz -0.000195 0.000391 -0.000886 0.001017 0.001251 0.001017 3C 2dyz 0.000154 -0.000045 -0.000842 0.000927 0.000966 0.001117 3C 2dx2y2 0.000071 -0.000242 -0.001361 0.001365 0.001314 0.001389 3C 2dxy 0.000196 -0.000195 0.002240 -0.002302 -0.002186 -0.002151 3C 1f0 0.000013 -0.000145 0.000033 -0.000032 -0.000024 -0.000051 3C 1f+1 0.000017 -0.000048 0.000097 -0.000098 -0.000060 -0.000044 3C 1f-1 0.000021 -0.000259 -0.000505 0.000526 0.000529 0.000582 3C 1f+2 -0.000107 0.000501 -0.000802 0.000826 0.000816 0.000856 3C 1f-2 -0.000017 0.000295 0.000729 -0.000752 -0.000779 -0.000805 3C 1f+3 -0.000047 -0.000055 -0.000728 0.000754 0.000807 0.000784 3C 1f-3 -0.000026 0.000025 -0.000904 0.000943 0.000970 0.000986 4C 1s -0.003159 -0.017133 -0.000744 -0.000439 -0.000445 0.000338 4C 2s -0.006874 -0.037338 -0.001640 -0.000978 -0.000984 0.000750 4C 3s 0.010458 0.061579 0.002493 0.001672 0.001564 -0.001476 4C 4s 0.021654 0.090404 0.006644 0.003299 0.003671 -0.000914 4C 5s 0.007488 0.001324 0.004961 0.005071 0.016359 -0.009119 4C 1pz 0.002700 -0.003572 0.036503 0.034184 0.035796 -0.035881 4C 1px -0.013232 -0.004330 -0.115326 -0.105742 -0.113813 0.111395 4C 1py -0.003435 -0.006036 -0.021178 -0.019492 -0.023316 0.019878 4C 2pz 0.001879 -0.008293 0.020506 0.019721 0.022633 -0.022749 4C 2px -0.007137 -0.001273 -0.063269 -0.060467 -0.073337 0.072770 4C 2py -0.001678 -0.006832 -0.011395 -0.011200 -0.015805 0.013399 4C 3pz 0.000601 0.007817 -0.000125 -0.001697 -0.009717 0.010565 4C 3px -0.001400 0.001055 -0.007467 -0.004630 0.005821 -0.004266 4C 3py -0.000345 0.004869 -0.003334 -0.002662 -0.004068 0.005020 4C 1dz2 0.000247 -0.000185 0.001263 0.000998 0.000930 -0.001143 4C 1dxz -0.000719 -0.000760 -0.002154 -0.001688 -0.001631 0.001923 4C 1dyz 0.000062 0.000421 0.000128 0.000105 0.000196 0.000098 4C 1dx2y2 0.000209 0.001037 -0.000092 -0.000086 0.000171 0.000347 4C 1dxy -0.000265 0.000513 -0.001547 -0.001233 -0.001771 0.000868 4C 2dz2 -0.000694 0.001677 -0.004821 -0.003992 -0.001455 0.001224 4C 2dxz 0.000094 0.001364 0.008249 0.007309 0.004180 -0.003644 4C 2dyz 0.000156 0.002690 -0.000424 -0.000493 0.000342 0.000308 4C 2dx2y2 0.000928 0.000364 0.000382 0.000220 -0.000247 0.001068 4C 2dxy 0.001485 0.001571 0.006520 0.005606 0.002417 -0.002800 4C 1f0 -0.000107 -0.000469 -0.001321 -0.001251 -0.001191 0.001038 4C 1f+1 -0.000330 -0.000932 0.001001 0.000961 0.000862 -0.000727 4C 1f-1 -0.000146 -0.000982 0.000121 0.000171 0.000455 -0.000382 4C 1f+2 0.000339 0.001080 0.001630 0.001570 0.001831 -0.001685 4C 1f-2 -0.000131 -0.000228 0.000755 0.000697 0.000185 -0.000276 4C 1f+3 0.000066 -0.000115 0.001867 0.001790 0.001769 -0.001999 4C 1f-3 -0.000131 -0.000578 0.001035 0.001066 0.001391 -0.001413 5C 1s 0.001861 -0.014042 0.000271 -0.000047 -0.000099 -0.000059 5C 2s 0.004041 -0.030604 0.000597 -0.000111 -0.000231 -0.000144 5C 3s -0.005726 0.050897 -0.000529 -0.000238 -0.000354 -0.000004 5C 4s -0.015006 0.071461 -0.004237 0.002868 0.005647 0.002049 5C 5s -0.004027 0.000889 0.002229 -0.004422 -0.002074 -0.007033 5C 1pz 0.004030 -0.002127 0.035952 -0.036075 -0.036095 -0.037524 5C 1px -0.010050 0.001825 -0.108808 0.111422 0.110849 0.113308 5C 1py -0.002900 0.006511 -0.020965 0.021249 0.023862 0.022640 5C 2pz 0.001779 -0.002817 0.019919 -0.020857 -0.022970 -0.024755 5C 2px -0.006124 -0.003094 -0.060940 0.064980 0.073164 0.074559 5C 2py -0.000689 0.007374 -0.011093 0.011620 0.014489 0.014566 5C 3pz 0.000140 0.004146 0.001799 0.000021 0.007955 0.002991 5C 3px -0.001623 -0.001076 -0.006066 0.004918 -0.002905 -0.006461 5C 3py 0.000157 -0.002197 -0.000777 -0.001809 -0.010524 -0.002594 5C 1dz2 0.000288 -0.000633 0.000799 -0.000687 -0.000441 -0.000913 5C 1dxz -0.000155 -0.000509 -0.000969 0.000879 0.000475 0.001248 5C 1dyz -0.000130 -0.000493 -0.000936 0.000817 0.000863 0.000808 5C 1dx2y2 -0.000408 0.000743 -0.001281 0.001139 0.001153 0.001141 5C 1dxy 0.000379 0.000073 0.002023 -0.001793 -0.002113 -0.001456 5C 2dz2 0.000475 0.000341 -0.002628 0.002490 0.000969 0.000928 5C 2dxz 0.000761 0.000423 0.004410 -0.004483 -0.003105 -0.001954 5C 2dyz 0.000677 -0.002646 0.003731 -0.003560 -0.001861 -0.001795 5C 2dx2y2 -0.000579 -0.001061 0.004049 -0.003856 -0.000660 -0.001399 5C 2dxy -0.001197 -0.000458 -0.007647 0.007476 0.003234 0.003633 5C 1f0 -0.000014 0.000165 -0.001212 0.001302 0.001493 0.001416 5C 1f+1 0.000162 -0.000427 0.000923 -0.001007 -0.001280 -0.001097 5C 1f-1 -0.000074 0.000012 0.000187 -0.000180 -0.000003 0.000122 5C 1f+2 -0.000082 0.000580 0.001583 -0.001684 -0.001465 -0.001456 5C 1f-2 -0.000084 0.000790 0.000418 -0.000518 -0.000917 -0.001078 5C 1f+3 0.000244 -0.000818 0.001907 -0.002021 -0.001835 -0.002030 5C 1f-3 -0.000236 0.000604 0.001092 -0.001146 -0.000785 -0.000924 6C 1s 0.002724 0.014048 -0.000269 0.000042 -0.000095 -0.000047 6C 2s 0.005923 0.030618 -0.000593 0.000100 -0.000222 -0.000117 6C 3s -0.008818 -0.050911 0.000502 0.000270 -0.000383 -0.000063 6C 4s -0.019617 -0.071553 0.004328 -0.002884 0.005694 0.002037 6C 5s -0.004214 -0.000892 -0.002108 0.004358 -0.002136 -0.007102 6C 1pz -0.004195 -0.002132 0.035987 -0.036070 0.036127 0.037488 6C 1px 0.010039 0.001980 -0.108765 0.111281 -0.110965 -0.113407 6C 1py 0.003078 0.006552 -0.020927 0.021213 -0.023794 -0.022456 6C 2pz -0.001964 -0.002794 0.019907 -0.020836 0.022976 0.024725 6C 2px 0.006029 -0.003069 -0.060899 0.064888 -0.073256 -0.074701 6C 2py 0.000966 0.007390 -0.011022 0.011578 -0.014412 -0.014420 6C 3pz 0.000227 0.004272 0.001795 0.000003 -0.008028 -0.002963 6C 3px 0.001791 -0.001174 -0.006053 0.004967 0.002826 0.006319 6C 3py -0.000737 -0.002419 -0.000772 -0.001778 0.010634 0.002580 6C 1dz2 0.000325 0.000632 -0.000801 0.000689 -0.000443 -0.000918 6C 1dxz -0.000121 0.000509 0.000968 -0.000879 0.000477 0.001252 6C 1dyz -0.000095 0.000493 0.000936 -0.000816 0.000862 0.000806 6C 1dx2y2 -0.000454 -0.000748 0.001280 -0.001139 0.001154 0.001141 6C 1dxy 0.000375 -0.000069 -0.002021 0.001787 -0.002113 -0.001457 6C 2dz2 0.000550 -0.000338 0.002619 -0.002483 0.000949 0.000914 6C 2dxz 0.000781 -0.000404 -0.004434 0.004489 -0.003131 -0.001961 6C 2dyz 0.000805 0.002656 -0.003736 0.003566 -0.001865 -0.001793 6C 2dx2y2 -0.000564 0.001056 -0.004024 0.003842 -0.000637 -0.001367 6C 2dxy -0.001156 0.000463 0.007660 -0.007483 0.003255 0.003626 6C 1f0 0.000023 0.000165 -0.001211 0.001301 -0.001495 -0.001417 6C 1f+1 -0.000190 -0.000429 0.000923 -0.001004 0.001281 0.001100 6C 1f-1 0.000080 0.000010 0.000187 -0.000180 0.000002 -0.000123 6C 1f+2 0.000110 0.000581 0.001584 -0.001683 0.001469 0.001460 6C 1f-2 0.000137 0.000791 0.000415 -0.000516 0.000915 0.001078 6C 1f+3 -0.000299 -0.000820 0.001908 -0.002021 0.001839 0.002034 6C 1f-3 0.000287 0.000606 0.001087 -0.001142 0.000781 0.000919 7C 1s -0.003409 0.017210 0.000774 0.000466 -0.000437 0.000334 7C 2s -0.007419 0.037505 0.001705 0.001036 -0.000966 0.000741 7C 3s 0.011331 -0.061866 -0.002586 -0.001762 0.001531 -0.001453 7C 4s 0.023125 -0.090733 -0.006874 -0.003464 0.003623 -0.000920 7C 5s 0.007514 -0.001569 -0.005069 -0.005168 0.016546 -0.009316 7C 1pz -0.002537 -0.003452 0.036310 0.033992 -0.035985 0.036003 7C 1px 0.013111 -0.004715 -0.114985 -0.105349 0.114190 -0.111707 7C 1py 0.003346 -0.006156 -0.021099 -0.019410 0.023291 -0.019851 7C 2pz -0.001790 -0.008274 0.020400 0.019622 -0.022794 0.022860 7C 2px 0.007198 -0.001427 -0.063018 -0.060240 0.073575 -0.072929 7C 2py 0.001666 -0.006936 -0.011321 -0.011147 0.015766 -0.013352 7C 3pz -0.000805 0.007655 -0.000103 -0.001606 0.009717 -0.010558 7C 3px 0.001565 0.000990 -0.007474 -0.004690 -0.005721 0.004171 7C 3py 0.000158 0.004744 -0.003325 -0.002650 0.004137 -0.005108 7C 1dz2 0.000241 0.000182 -0.001255 -0.000992 0.000932 -0.001144 7C 1dxz -0.000726 0.000778 0.002144 0.001678 -0.001632 0.001925 7C 1dyz 0.000071 -0.000424 -0.000132 -0.000107 0.000198 0.000095 7C 1dx2y2 0.000228 -0.001044 0.000088 0.000084 0.000172 0.000346 7C 1dxy -0.000256 -0.000502 0.001547 0.001230 -0.001777 0.000876 7C 2dz2 -0.000706 -0.001656 0.004836 0.003990 -0.001492 0.001258 7C 2dxz 0.000039 -0.001400 -0.008249 -0.007300 0.004220 -0.003686 7C 2dyz 0.000214 -0.002715 0.000424 0.000489 0.000339 0.000312 7C 2dx2y2 0.000934 -0.000341 -0.000405 -0.000235 -0.000233 0.001050 7C 2dxy 0.001490 -0.001608 -0.006521 -0.005592 0.002428 -0.002812 7C 1f0 0.000115 -0.000464 -0.001319 -0.001248 0.001198 -0.001043 7C 1f+1 0.000345 -0.000931 0.000997 0.000957 -0.000867 0.000730 7C 1f-1 0.000159 -0.000985 0.000119 0.000170 -0.000460 0.000386 7C 1f+2 -0.000356 0.001090 0.001627 0.001566 -0.001838 0.001690 7C 1f-2 0.000143 -0.000232 0.000752 0.000694 -0.000188 0.000277 7C 1f+3 -0.000068 -0.000114 0.001862 0.001785 -0.001777 0.002006 7C 1f-3 0.000149 -0.000584 0.001025 0.001058 -0.001390 0.001411 8C 1s -0.001257 -0.006077 -0.000073 0.000192 -0.000042 -0.000144 8C 2s -0.002710 -0.013128 -0.000155 0.000417 -0.000109 -0.000332 8C 3s 0.003947 0.019357 0.000282 -0.000749 0.000222 0.000707 8C 4s 0.007050 0.034127 0.000482 -0.000768 0.000125 -0.000231 8C 5s -0.000437 0.003504 0.000701 -0.005739 0.016408 0.009760 8C 1pz 0.002147 0.015668 0.013316 -0.014862 0.016273 0.018321 8C 1px 0.004668 0.011437 -0.041407 0.045133 -0.054644 -0.056320 8C 1py -0.004845 -0.026458 -0.007296 0.008874 -0.009714 -0.010309 8C 2pz 0.001436 0.010142 0.009443 -0.010494 0.011896 0.013661 8C 2px 0.002858 0.006743 -0.029679 0.032548 -0.040922 -0.042077 8C 2py -0.003424 -0.015125 -0.005150 0.006142 -0.006993 -0.007875 8C 3pz 0.000546 0.000543 0.003913 -0.003764 0.002313 0.004057 8C 3px 0.001566 0.004252 -0.013624 0.014911 -0.017114 -0.017435 8C 3py -0.000743 -0.007393 -0.002219 0.001777 0.000409 -0.002192 8C 1dz2 0.000101 0.000293 -0.000430 0.000424 -0.000386 -0.000447 8C 1dxz -0.000119 -0.000564 -0.000522 0.000656 -0.001047 -0.001058 8C 1dyz 0.000264 0.001438 -0.000031 0.000048 -0.000305 -0.000299 8C 1dx2y2 0.000143 0.001074 0.000965 -0.001045 0.001059 0.001142 8C 1dxy 0.000309 0.001029 -0.001404 0.001441 -0.001563 -0.001530 8C 2dz2 0.000075 -0.000294 -0.000621 0.000646 -0.000554 -0.000536 8C 2dxz -0.000209 -0.000402 0.000892 -0.001021 0.001257 0.001019 8C 2dyz 0.000153 0.000032 0.000839 -0.000924 0.000973 0.001126 8C 2dx2y2 0.000104 0.000234 0.001351 -0.001354 0.001303 0.001381 8C 2dxy 0.000213 0.000201 -0.002246 0.002304 -0.002195 -0.002156 8C 1f0 -0.000022 -0.000146 0.000034 -0.000034 0.000024 0.000050 8C 1f+1 -0.000020 -0.000040 0.000098 -0.000100 0.000062 0.000047 8C 1f-1 -0.000031 -0.000257 -0.000504 0.000525 -0.000530 -0.000583 8C 1f+2 0.000137 0.000500 -0.000803 0.000827 -0.000818 -0.000858 8C 1f-2 0.000040 0.000300 0.000726 -0.000749 0.000778 0.000804 8C 1f+3 0.000045 -0.000050 -0.000728 0.000753 -0.000808 -0.000784 8C 1f-3 0.000024 0.000031 -0.000904 0.000941 -0.000970 -0.000986 9C 1s 0.001652 -0.007456 -0.000541 -0.000383 0.000510 -0.000333 9C 2s 0.003565 -0.016085 -0.001160 -0.000824 0.001119 -0.000736 9C 3s -0.005320 0.023196 0.001779 0.001359 -0.001771 0.001190 9C 4s -0.008825 0.044322 0.002993 0.001741 -0.002780 0.001774 9C 5s -0.003196 -0.003477 0.003363 0.005308 -0.021485 0.018256 9C 1pz -0.007805 0.033426 0.016455 0.015488 -0.021205 0.019228 9C 1px 0.001692 0.006216 -0.042969 -0.042490 0.054512 -0.055031 9C 1py -0.003973 0.021301 -0.006236 -0.006853 0.008834 -0.009127 9C 2pz -0.004905 0.019533 0.011383 0.010794 -0.014585 0.013606 9C 2px 0.000856 0.003270 -0.030611 -0.030432 0.040500 -0.041050 9C 2py -0.002364 0.011770 -0.004522 -0.005099 0.007384 -0.007157 9C 3pz -0.001192 0.008093 0.003687 0.003451 -0.003146 0.001948 9C 3px 0.000727 0.004012 -0.013832 -0.013516 0.016978 -0.016240 9C 3py -0.000905 0.005461 -0.002905 -0.003223 0.005454 -0.004644 9C 1dz2 0.000374 -0.001431 -0.000983 -0.000888 0.001030 -0.000952 9C 1dxz 0.000041 -0.000615 0.000662 0.000583 -0.000422 0.000427 9C 1dyz 0.000387 -0.002057 0.000474 0.000540 -0.000752 0.000852 9C 1dx2y2 -0.000228 0.000654 0.001259 0.001243 -0.001678 0.001705 9C 1dxy -0.000011 -0.000405 0.000823 0.000756 -0.000774 0.000735 9C 2dz2 0.000098 -0.000031 -0.001265 -0.001237 0.001235 -0.001204 9C 2dxz -0.000175 -0.000460 0.002283 0.002186 -0.002557 0.002377 9C 2dyz 0.000244 0.000482 -0.000062 -0.000037 0.000152 -0.000256 9C 2dx2y2 0.000009 0.000401 0.000093 -0.000077 0.000332 -0.000353 9C 2dxy -0.000031 0.000127 0.001769 0.001668 -0.001656 0.001778 9C 1f0 -0.000005 -0.000136 0.000779 0.000749 -0.000805 0.000814 9C 1f+1 0.000029 -0.000060 -0.000798 -0.000739 0.000812 -0.000842 9C 1f-1 0.000021 -0.000216 0.000432 0.000401 -0.000436 0.000419 9C 1f+2 -0.000052 0.000494 -0.000255 -0.000242 0.000240 -0.000256 9C 1f-2 0.000158 -0.000497 -0.001169 -0.001083 0.001249 -0.001203 9C 1f+3 -0.000043 0.000388 -0.000501 -0.000481 0.000537 -0.000496 9C 1f-3 -0.000054 0.000062 0.000216 0.000192 -0.000189 0.000185 10H 1s -0.004234 -0.014893 -0.020744 -0.020292 -0.026868 0.026515 10H 2s -0.005767 -0.017595 -0.028568 -0.028494 -0.038318 0.037750 10H 3s -0.000348 -0.008487 -0.004234 -0.003571 -0.004410 0.006067 10H 1pz -0.000212 -0.000012 -0.002098 -0.002061 -0.002468 0.002515 10H 1px 0.000564 0.001842 0.001762 0.001717 0.002228 -0.002100 10H 1py -0.000047 0.000336 -0.001263 -0.001251 -0.001537 0.001488 11H 1s -0.002375 -0.014356 0.006374 0.006586 0.008116 -0.008942 11H 2s -0.002591 -0.017501 0.008719 0.009234 0.012661 -0.013611 11H 3s -0.001402 -0.004091 0.000599 0.001148 0.004559 -0.003862 11H 1pz 0.000080 -0.000015 0.001449 0.001434 0.001924 -0.001898 11H 1px -0.000218 -0.001148 -0.000640 -0.000612 -0.000765 0.000681 11H 1py 0.000257 0.001717 -0.000695 -0.000720 -0.000902 0.000950 12H 1s -0.001978 -0.013967 0.012140 0.012470 0.016267 -0.016640 12H 2s -0.002213 -0.016994 0.016675 0.017453 0.024105 -0.024760 12H 3s -0.000523 -0.004738 0.001700 0.002181 0.006007 -0.006513 12H 1pz 0.000344 0.001661 0.000314 0.000263 0.000406 -0.000317 12H 1px -0.000133 -0.000686 -0.000400 -0.000368 -0.000402 0.000402 12H 1py -0.000069 -0.000993 0.002061 0.002058 0.002671 -0.002717 13H 1s 0.000645 -0.011628 -0.018219 0.020417 0.024435 0.025797 13H 2s 0.000232 -0.013771 -0.024819 0.028302 0.034399 0.036295 13H 3s 0.001375 -0.006087 -0.003371 0.003227 0.005979 0.005808 13H 1pz -0.000084 -0.000476 -0.002116 0.002342 0.002654 0.002771 13H 1px -0.000130 0.001447 0.000737 -0.000876 -0.000941 -0.001021 13H 1py 0.000167 -0.000342 0.001434 -0.001549 -0.001778 -0.001815 14H 1s 0.002460 -0.012361 0.013965 -0.015217 -0.019405 -0.019510 14H 2s 0.003314 -0.014827 0.018901 -0.021098 -0.028341 -0.028357 14H 3s 0.000134 -0.004381 0.002239 -0.002938 -0.006530 -0.006088 14H 1pz 0.000184 -0.000292 0.001959 -0.002138 -0.002556 -0.002642 14H 1px 0.000243 -0.001137 0.000994 -0.001078 -0.001444 -0.001384 14H 1py 0.000157 -0.001181 -0.000134 0.000185 0.000171 0.000186 15H 1s 0.001959 -0.011519 0.005018 -0.005179 -0.006372 -0.006965 15H 2s 0.002294 -0.013912 0.006803 -0.007282 -0.009924 -0.010724 15H 3s 0.001272 -0.000901 0.000956 -0.001442 -0.003219 -0.003754 15H 1pz -0.000202 0.001724 -0.000084 0.000049 0.000150 0.000130 15H 1px -0.000080 0.000075 -0.001241 0.001365 0.001596 0.001683 15H 1py -0.000100 0.000306 -0.001084 0.001172 0.001432 0.001568 16H 1s 0.100630 0.089283 -0.003626 -0.003927 0.003300 0.012605 16H 2s 0.116605 0.103777 -0.002901 -0.002942 0.003705 0.015328 16H 3s 0.027518 0.022403 -0.001589 0.000095 0.004126 -0.000097 16H 1pz 0.007039 0.006248 -0.000409 -0.000224 0.000434 0.000910 16H 1px -0.004643 -0.003872 -0.000811 -0.000150 -0.000183 0.000110 16H 1py 0.008236 0.007406 -0.000344 -0.000518 -0.000988 0.001139 17H 1s -0.100751 -0.089455 -0.001539 0.004252 0.005789 -0.011636 17H 2s -0.117188 -0.104522 -0.000490 0.003794 0.006838 -0.014235 17H 3s -0.027432 -0.023107 -0.000945 0.000151 0.003976 0.000082 17H 1pz 0.001057 0.001056 0.000690 -0.000157 -0.000481 0.000331 17H 1px 0.007583 0.006554 -0.000527 -0.000024 -0.000563 0.000324 17H 1py -0.009080 -0.008118 -0.000224 0.000608 -0.000643 -0.001341 18H 1s -0.099707 0.090692 0.001569 -0.004170 0.006082 -0.011509 18H 2s -0.115971 0.105946 0.000538 -0.003787 0.007211 -0.014044 18H 3s -0.027249 0.023434 0.000951 -0.000168 0.003957 0.000185 18H 1pz -0.001299 0.001296 0.000694 -0.000160 0.000486 -0.000339 18H 1px -0.007578 0.006702 -0.000523 -0.000034 0.000564 -0.000313 18H 1py 0.008908 -0.008171 -0.000214 0.000611 0.000626 0.001340 19H 1s 0.099543 -0.090582 0.003583 0.003874 0.002989 0.012702 19H 2s 0.115504 -0.105440 0.002877 0.002828 0.003336 0.015487 19H 3s 0.027286 -0.022880 0.001594 -0.000105 0.004109 0.000035 19H 1pz -0.006766 0.006167 -0.000406 -0.000213 -0.000438 -0.000913 19H 1px 0.004697 -0.004030 -0.000803 -0.000153 0.000178 -0.000097 19H 1py -0.008287 0.007626 -0.000354 -0.000501 0.001000 -0.001143 20H 1s 0.002673 0.011523 -0.005156 0.005326 -0.006546 -0.007122 20H 2s 0.003164 0.013926 -0.006978 0.007474 -0.010179 -0.010953 20H 3s 0.001475 0.000935 -0.000941 0.001424 -0.003260 -0.003797 20H 1pz 0.000305 0.001725 -0.000099 0.000066 -0.000168 -0.000146 20H 1px 0.000080 0.000063 -0.001227 0.001349 -0.001579 -0.001663 20H 1py 0.000119 0.000303 -0.001103 0.001192 -0.001460 -0.001597 21H 1s 0.003166 0.012378 -0.013846 0.015078 -0.019260 -0.019314 21H 2s 0.004154 0.014870 -0.018726 0.020892 -0.028141 -0.028079 21H 3s 0.000429 0.004349 -0.002215 0.002911 -0.006544 -0.006086 21H 1pz -0.000203 -0.000304 0.001959 -0.002137 0.002563 0.002645 21H 1px -0.000304 -0.001135 0.000963 -0.001044 0.001406 0.001341 21H 1py -0.000228 -0.001186 -0.000130 0.000180 -0.000168 -0.000186 22H 1s 0.001347 0.011615 0.018258 -0.020443 0.024534 0.025912 22H 2s 0.001074 0.013747 0.024899 -0.028363 0.034559 0.036468 22H 3s 0.001748 0.006123 0.003399 -0.003252 0.005973 0.005840 22H 1pz 0.000052 -0.000467 -0.002108 0.002331 -0.002647 -0.002762 22H 1px 0.000216 0.001448 0.000756 -0.000894 0.000967 0.001051 22H 1py -0.000185 -0.000338 0.001452 -0.001567 0.001801 0.001836 23H 1s -0.002219 0.013998 -0.011855 -0.012186 0.016069 -0.016416 23H 2s -0.002525 0.017023 -0.016292 -0.017061 0.023846 -0.024463 23H 3s -0.000638 0.004639 -0.001597 -0.002108 0.005962 -0.006471 23H 1pz -0.000367 0.001679 0.000307 0.000256 -0.000391 0.000304 23H 1px 0.000142 -0.000663 -0.000448 -0.000416 0.000463 -0.000466 23H 1py 0.000091 -0.001000 0.002029 0.002026 -0.002658 0.002701 24H 1s -0.002552 0.014409 -0.006594 -0.006803 0.008534 -0.009338 24H 2s -0.002806 0.017527 -0.009009 -0.009523 0.013259 -0.014174 24H 3s -0.001443 0.004123 -0.000632 -0.001194 0.004733 -0.004007 24H 1pz -0.000079 -0.000005 0.001477 0.001460 -0.001971 0.001943 24H 1px 0.000233 -0.001171 -0.000594 -0.000566 0.000704 -0.000621 24H 1py -0.000279 0.001706 -0.000697 -0.000721 0.000918 -0.000964 25H 1s -0.004426 0.015011 0.020754 0.020286 -0.027002 0.026630 25H 2s -0.005993 0.017768 0.028567 0.028470 -0.038487 0.037880 25H 3s -0.000469 0.008508 0.004230 0.003549 -0.004411 0.006050 25H 1pz 0.000214 -0.000031 -0.002115 -0.002075 0.002506 -0.002548 25H 1px -0.000588 0.001852 0.001761 0.001715 -0.002233 0.002102 25H 1py 0.000031 0.000353 -0.001224 -0.001212 0.001502 -0.001451 26O 1s 0.000588 0.008250 -0.008965 -0.009228 -0.011548 0.011224 26O 2s 0.001413 0.019771 -0.021332 -0.022020 -0.027556 0.026785 26O 3s -0.002069 -0.030018 0.030532 0.032266 0.040362 -0.039240 26O 4s -0.004209 -0.042430 0.052578 0.051999 0.064360 -0.062435 26O 5s -0.007256 -0.053426 0.025061 0.034211 0.065655 -0.067251 26O 1pz -0.000027 -0.010325 0.060782 0.059498 0.055865 -0.048050 26O 1px 0.005671 -0.034737 0.090048 0.083045 0.100453 -0.091083 26O 1py 0.003392 -0.022001 0.071450 0.067331 0.060530 -0.073464 26O 2pz 0.000070 -0.009737 0.051912 0.049694 0.047695 -0.040749 26O 2px 0.005486 -0.025533 0.074467 0.067401 0.078754 -0.070794 26O 2py 0.003320 -0.017325 0.059934 0.055553 0.048838 -0.060051 26O 3pz 0.000138 -0.008188 0.015247 0.018409 0.034021 -0.029036 26O 3px 0.005098 -0.007695 0.035164 0.032851 0.043791 -0.036269 26O 3py 0.001485 -0.011483 0.023364 0.023196 0.030443 -0.038426 26O 1dz2 -0.000018 -0.000524 0.001486 0.001414 0.001299 -0.001132 26O 1dxz 0.000040 0.000265 -0.001083 -0.001054 -0.001094 0.001086 26O 1dyz -0.000023 0.000224 -0.000336 -0.000184 -0.000792 0.000709 26O 1dx2y2 -0.000071 0.000570 -0.001373 -0.001208 -0.001346 0.001267 26O 1dxy -0.000017 0.000811 -0.002024 -0.001800 -0.001998 0.002101 26O 2dz2 0.000136 -0.001517 0.004182 0.004144 0.004550 -0.003709 26O 2dxz -0.000367 -0.000049 -0.000794 -0.000949 -0.000523 0.000794 26O 2dyz -0.000195 -0.001551 0.001425 0.001889 0.002154 -0.002559 26O 2dx2y2 -0.000066 0.001494 -0.004064 -0.003522 -0.003431 0.003469 26O 2dxy -0.000283 0.000926 -0.003798 -0.003279 -0.002728 0.002972 26O 1f0 -0.000047 0.000138 -0.000539 -0.000480 -0.000537 0.000531 26O 1f+1 -0.000078 0.000060 -0.000324 -0.000251 -0.000277 0.000318 26O 1f-1 -0.000073 -0.000049 -0.000034 0.000235 0.000048 0.000014 26O 1f+2 0.000065 -0.000004 0.000320 0.000181 0.000356 -0.000247 26O 1f-2 0.000018 -0.000264 0.000790 0.000840 0.000815 -0.000797 26O 1f+3 0.000002 -0.000041 0.000153 0.000192 0.000091 -0.000246 26O 1f-3 -0.000103 0.000271 -0.000978 -0.000906 -0.000967 0.000924 27O 1s -0.001592 0.007172 -0.008916 0.009944 0.011221 0.011632 27O 2s -0.003772 0.017198 -0.021201 0.023712 0.026747 0.027738 27O 3s 0.005130 -0.026370 0.030128 -0.034522 -0.038799 -0.040387 27O 4s 0.010135 -0.035923 0.052921 -0.056671 -0.063624 -0.065709 27O 5s 0.008914 -0.039151 0.028687 -0.039418 -0.067819 -0.065748 27O 1pz 0.000744 -0.001276 0.026886 -0.028833 -0.027107 -0.016331 27O 1px 0.015337 -0.037893 0.101991 -0.104260 -0.108876 -0.109154 27O 1py -0.007701 0.017432 -0.067487 0.071843 0.059200 0.068235 27O 2pz 0.000865 -0.001911 0.023115 -0.024306 -0.023940 -0.014479 27O 2px 0.012044 -0.029124 0.083923 -0.084412 -0.085378 -0.085565 27O 2py -0.006907 0.014552 -0.057250 0.059747 0.049443 0.057452 27O 3pz -0.000078 -0.001662 0.005841 -0.007464 -0.018829 -0.010921 27O 3px 0.001473 -0.015673 0.036039 -0.038006 -0.043128 -0.045927 27O 3py 0.000453 0.012053 -0.018029 0.022200 0.031191 0.037659 27O 1dz2 0.000190 -0.000585 0.001554 -0.001508 -0.001699 -0.001604 27O 1dxz 0.000009 -0.000024 -0.000258 0.000285 0.000343 0.000327 27O 1dyz 0.000019 -0.000003 -0.000206 0.000372 -0.000167 -0.000211 27O 1dx2y2 -0.000315 0.000796 -0.002212 0.002229 0.001984 0.002070 27O 1dxy 0.000144 -0.000553 0.001608 -0.001603 -0.001777 -0.001864 27O 2dz2 0.000107 -0.000539 0.002468 -0.002235 -0.002068 -0.001524 27O 2dxz -0.000062 -0.000552 0.000876 -0.000837 -0.000866 -0.000821 27O 2dyz -0.000367 0.001040 -0.001782 0.002444 0.002879 0.002602 27O 2dx2y2 -0.000421 0.002463 -0.005339 0.005514 0.004636 0.005427 27O 2dxy 0.000101 -0.000223 0.001313 -0.001296 -0.000893 -0.000980 27O 1f0 -0.000042 0.000075 -0.000267 0.000432 0.000343 0.000283 27O 1f+1 -0.000093 0.000244 -0.000664 0.000687 0.000638 0.000718 27O 1f-1 0.000033 -0.000090 0.000219 -0.000183 -0.000201 -0.000259 27O 1f+2 -0.000001 0.000054 0.000038 0.000150 -0.000059 0.000008 27O 1f-2 -0.000010 0.000089 -0.000175 0.000314 0.000227 0.000160 27O 1f+3 -0.000012 0.000045 -0.000183 0.000053 0.000163 0.000086 27O 1f-3 0.000148 -0.000296 0.000994 -0.000984 -0.001018 -0.001052 28O 1s 0.002356 0.008706 0.009741 0.009721 0.011731 -0.011674 28O 2s 0.005600 0.020880 0.023197 0.023209 0.027992 -0.027862 28O 3s -0.007863 -0.032013 -0.033401 -0.034150 -0.041021 0.040866 28O 4s -0.014168 -0.043363 -0.055956 -0.053814 -0.064791 0.064704 28O 5s -0.012530 -0.051873 -0.033156 -0.038906 -0.065637 0.063986 28O 1pz -0.017426 -0.036897 -0.109843 -0.102767 -0.107544 0.098361 28O 1px 0.014448 0.032311 0.060368 0.054275 0.064783 -0.068396 28O 1py -0.006562 -0.012806 -0.044060 -0.042415 -0.033557 0.042886 28O 2pz -0.014438 -0.029397 -0.092212 -0.084957 -0.088333 0.080273 28O 2px 0.010981 0.023691 0.048937 0.043364 0.049346 -0.052530 28O 2py -0.006003 -0.010727 -0.037824 -0.035625 -0.028621 0.036904 28O 3pz -0.002040 -0.016885 -0.032864 -0.033444 -0.050861 0.045591 28O 3px 0.002559 0.010474 0.024641 0.022881 0.022630 -0.026327 28O 3py 0.000249 -0.009884 -0.010023 -0.012096 -0.017187 0.023890 28O 1dz2 0.000077 0.000217 0.000704 0.000595 0.000839 -0.000870 28O 1dxz -0.000446 -0.001140 -0.002801 -0.002533 -0.002630 0.002523 28O 1dyz 0.000081 0.000314 0.000509 0.000340 0.000928 -0.000885 28O 1dx2y2 0.000276 0.000573 0.001197 0.001021 0.001040 -0.001131 28O 1dxy -0.000075 -0.000295 -0.000874 -0.000889 -0.000700 0.000732 28O 2dz2 0.000014 -0.000437 -0.000247 -0.000291 -0.000722 0.000232 28O 2dxz -0.000750 -0.002252 -0.005791 -0.005360 -0.005374 0.004936 28O 2dyz -0.000383 -0.001358 -0.001342 -0.001773 -0.001990 0.002247 28O 2dx2y2 0.000265 0.001808 0.003421 0.003041 0.002590 -0.003183 28O 2dxy -0.000300 -0.000631 -0.001199 -0.001429 -0.001585 0.001503 28O 1f0 -0.000010 -0.000011 -0.000073 -0.000094 -0.000158 0.000022 28O 1f+1 0.000172 0.000313 0.000958 0.000854 0.000988 -0.000898 28O 1f-1 -0.000097 -0.000256 -0.000529 -0.000741 -0.000538 0.000547 28O 1f+2 -0.000084 -0.000166 -0.000505 -0.000342 -0.000470 0.000433 28O 1f-2 0.000095 0.000174 0.000494 0.000369 0.000471 -0.000519 28O 1f+3 -0.000005 -0.000059 -0.000076 -0.000111 -0.000068 0.000038 28O 1f-3 0.000084 0.000099 0.000365 0.000338 0.000372 -0.000375 29O 1s 0.000023 -0.000013 0.000629 0.000029 0.002163 0.000169 29O 2s 0.000071 -0.000020 0.001549 0.000069 0.005204 0.000408 29O 3s -0.000229 -0.000026 -0.002807 -0.000113 -0.008174 -0.000639 29O 4s 0.000013 -0.000055 -0.003912 -0.000021 -0.011191 -0.000853 29O 5s 0.000528 0.001228 0.002116 -0.000704 -0.010891 -0.001236 29O 1pz -0.254885 -0.226375 0.007562 0.011344 -0.001062 -0.031717 29O 1px -0.094036 -0.083483 -0.011404 0.004702 0.007536 -0.010345 29O 1py 0.023453 0.020973 0.002499 -0.001414 -0.021993 0.000695 29O 2pz -0.209309 -0.185664 0.006728 0.009420 -0.001174 -0.025745 29O 2px -0.077317 -0.068582 -0.010951 0.003939 0.006952 -0.008419 29O 2py 0.019227 0.017225 0.002150 -0.001192 -0.018082 0.000642 29O 3pz -0.090984 -0.080948 0.003972 0.006205 -0.000657 -0.011310 29O 3px -0.033305 -0.029590 -0.007430 0.002473 0.001510 -0.003225 29O 3py 0.008264 0.007149 0.000315 -0.000512 -0.014277 -0.000583 29O 1dz2 0.003405 0.003046 -0.000051 -0.000124 -0.000063 0.000471 29O 1dxz -0.003111 -0.002795 0.000070 0.000139 0.000095 -0.000455 29O 1dyz 0.005990 0.005317 -0.000113 -0.000179 -0.000008 0.000723 29O 1dx2y2 -0.000896 -0.000808 -0.000062 0.000049 -0.000157 -0.000162 29O 1dxy 0.002629 0.002336 0.000131 -0.000088 -0.000164 0.000303 29O 2dz2 0.007794 0.007117 -0.000346 -0.000314 -0.000626 0.001367 29O 2dxz -0.006465 -0.006005 -0.000122 0.000366 0.000258 -0.001502 29O 2dyz 0.015122 0.013428 -0.000430 -0.000484 -0.000036 0.001807 29O 2dx2y2 -0.001593 -0.001509 0.000309 0.000136 -0.001019 -0.000578 29O 2dxy 0.006405 0.005717 0.000764 -0.000239 0.000082 0.000856 29O 1f0 -0.001344 -0.001203 0.000135 0.000085 -0.000038 -0.000199 29O 1f+1 -0.001374 -0.001256 -0.000054 0.000074 0.000030 -0.000256 29O 1f-1 -0.001188 -0.001052 0.000074 0.000080 -0.000094 -0.000154 29O 1f+2 0.000094 0.000105 -0.000073 -0.000013 0.000002 0.000072 29O 1f-2 0.002289 0.002034 -0.000009 -0.000151 -0.000069 0.000297 29O 1f+3 -0.000614 -0.000557 -0.000051 0.000050 0.000085 -0.000102 29O 1f-3 -0.001084 -0.000960 -0.000086 0.000083 0.000127 -0.000117 30O 1s -0.000152 0.006733 0.008757 -0.009967 -0.011521 -0.011804 30O 2s -0.000371 0.016136 0.020841 -0.023788 -0.027499 -0.028171 30O 3s 0.000525 -0.024537 -0.029873 0.034921 0.040401 0.041340 30O 4s 0.001574 -0.034195 -0.050990 0.055617 0.063611 0.065175 30O 5s 0.005165 -0.044441 -0.025463 0.037160 0.060584 0.067980 30O 1pz -0.002462 -0.016736 -0.071713 0.075468 0.079962 0.068247 30O 1px 0.004904 0.019323 0.041593 -0.040624 -0.052585 -0.054753 30O 1py 0.004673 0.023315 0.092168 -0.097078 -0.084332 -0.095986 30O 2pz -0.002370 -0.013187 -0.060073 0.062149 0.065238 0.054818 30O 2px 0.004531 0.013211 0.033343 -0.032067 -0.039237 -0.040911 30O 2py 0.004504 0.018598 0.077900 -0.080684 -0.069378 -0.079179 30O 3pz -0.002092 -0.005675 -0.022744 0.025942 0.039940 0.030811 30O 3px 0.003577 0.002547 0.020392 -0.019374 -0.019665 -0.018091 30O 3py 0.001582 0.012441 0.027107 -0.031082 -0.040888 -0.047937 30O 1dz2 -0.000030 -0.000206 -0.000254 0.000167 0.000379 0.000367 30O 1dxz -0.000042 -0.000494 -0.001626 0.001648 0.001641 0.001531 30O 1dyz -0.000061 -0.000521 -0.001419 0.001316 0.001746 0.001863 30O 1dx2y2 0.000066 0.000055 0.000011 0.000024 0.000129 0.000101 30O 1dxy 0.000030 0.000619 0.002034 -0.002134 -0.001777 -0.001920 30O 2dz2 0.000079 0.000211 -0.000306 -0.000034 0.000139 -0.000398 30O 2dxz -0.000263 -0.001031 -0.004147 0.004312 0.004302 0.003732 30O 2dyz -0.000306 0.000375 -0.001144 0.000597 -0.000085 0.000121 30O 2dx2y2 -0.000156 0.001130 0.001967 -0.001894 -0.001873 -0.002266 30O 2dxy 0.000267 0.001600 0.004702 -0.005134 -0.004620 -0.004958 30O 1f0 0.000029 0.000174 0.000543 -0.000720 -0.000546 -0.000615 30O 1f+1 0.000013 0.000029 0.000230 -0.000265 -0.000288 -0.000215 30O 1f-1 0.000002 0.000092 0.000398 -0.000471 -0.000513 -0.000365 30O 1f+2 -0.000011 0.000172 0.000479 -0.000691 -0.000516 -0.000559 30O 1f-2 -0.000105 -0.000187 -0.000876 0.000765 0.000881 0.000870 30O 1f+3 0.000081 0.000074 0.000524 -0.000419 -0.000488 -0.000564 30O 1f-3 -0.000063 -0.000014 -0.000238 0.000187 0.000230 0.000204 31O 1s -0.000580 -0.006725 -0.008753 0.009959 -0.011529 -0.011800 31O 2s -0.001395 -0.016116 -0.020831 0.023769 -0.027517 -0.028163 31O 3s 0.002070 0.024503 0.029865 -0.034900 0.040434 0.041330 31O 4s 0.003815 0.034171 0.050933 -0.055546 0.063619 0.065120 31O 5s 0.007849 0.044516 0.025372 -0.037105 0.060624 0.068083 31O 1pz 0.001194 -0.016585 -0.071681 0.075348 -0.080017 -0.068250 31O 1px -0.003581 0.019261 0.041585 -0.040593 0.052558 0.054641 31O 1py -0.003236 0.023276 0.092139 -0.096997 0.084449 0.096085 31O 2pz 0.001387 -0.013063 -0.060062 0.062060 -0.065296 -0.054833 31O 2px -0.003608 0.013158 0.033348 -0.032052 0.039223 0.040821 31O 2py -0.003353 0.018563 0.077889 -0.080627 0.069490 0.079270 31O 3pz 0.001619 -0.005521 -0.022748 0.025848 -0.039943 -0.030743 31O 3px -0.003377 0.002459 0.020450 -0.019387 0.019672 0.017997 31O 3py -0.001017 0.012341 0.027148 -0.031044 0.040958 0.047971 31O 1dz2 -0.000020 0.000205 0.000253 -0.000165 0.000378 0.000366 31O 1dxz -0.000007 0.000492 0.001625 -0.001646 0.001642 0.001531 31O 1dyz -0.000028 0.000521 0.001418 -0.001314 0.001746 0.001865 31O 1dx2y2 0.000058 -0.000055 -0.000011 -0.000022 0.000130 0.000103 31O 1dxy -0.000009 -0.000619 -0.002032 0.002132 -0.001779 -0.001921 31O 2dz2 0.000081 -0.000213 0.000304 0.000040 0.000129 -0.000408 31O 2dxz -0.000181 0.001023 0.004152 -0.004311 0.004308 0.003733 31O 2dyz -0.000338 -0.000381 0.001148 -0.000601 -0.000084 0.000124 31O 2dx2y2 -0.000218 -0.001131 -0.001969 0.001897 -0.001873 -0.002257 31O 2dxy 0.000182 -0.001587 -0.004704 0.005129 -0.004627 -0.004961 31O 1f0 -0.000018 0.000173 0.000544 -0.000720 0.000548 0.000616 31O 1f+1 -0.000012 0.000027 0.000229 -0.000264 0.000288 0.000215 31O 1f-1 0.000006 0.000091 0.000398 -0.000471 0.000514 0.000365 31O 1f+2 0.000021 0.000172 0.000479 -0.000690 0.000518 0.000562 31O 1f-2 0.000092 -0.000185 -0.000877 0.000764 -0.000881 -0.000870 31O 1f+3 -0.000076 0.000073 0.000524 -0.000418 0.000488 0.000566 31O 1f-3 0.000060 -0.000014 -0.000238 0.000187 -0.000229 -0.000203 32O 1s 0.000006 -0.000003 -0.000626 -0.000024 0.002158 0.000218 32O 2s 0.000034 -0.000020 -0.001541 -0.000057 0.005191 0.000527 32O 3s -0.000201 0.000114 0.002796 0.000093 -0.008147 -0.000821 32O 4s 0.000216 0.000040 0.003895 -0.000018 -0.011186 -0.001119 32O 5s 0.000360 -0.000945 -0.002157 0.000805 -0.010863 -0.001548 32O 1pz 0.253056 -0.230415 0.007344 0.011230 -0.000238 0.031844 32O 1px 0.092072 -0.083731 -0.011440 0.004565 -0.007995 0.009980 32O 1py -0.016957 0.015297 0.002607 -0.001021 0.021941 0.000635 32O 2pz 0.207818 -0.188995 0.006543 0.009329 0.000100 0.025858 32O 2px 0.075692 -0.068761 -0.010979 0.003818 -0.007324 0.008106 32O 2py -0.013923 0.012600 0.002234 -0.000866 0.018038 0.000430 32O 3pz 0.090162 -0.082219 0.003869 0.006154 0.000075 0.011317 32O 3px 0.032544 -0.029682 -0.007438 0.002385 -0.001713 0.003124 32O 3py -0.005973 0.005061 0.000348 -0.000226 0.014235 0.001183 32O 1dz2 0.003115 -0.002858 0.000044 0.000111 -0.000072 0.000439 32O 1dxz -0.003199 0.002944 -0.000067 -0.000142 0.000109 -0.000468 32O 1dyz 0.006026 -0.005483 0.000113 0.000179 -0.000033 0.000736 32O 1dx2y2 -0.001036 0.000958 0.000062 -0.000054 -0.000151 -0.000184 32O 1dxy 0.002481 -0.002259 -0.000132 0.000081 -0.000172 0.000281 32O 2dz2 0.007050 -0.006603 0.000323 0.000273 -0.000657 0.001261 32O 2dxz -0.006715 0.006383 0.000133 -0.000371 0.000294 -0.001548 32O 2dyz 0.015168 -0.013808 0.000425 0.000485 -0.000125 0.001836 32O 2dx2y2 -0.001982 0.001913 -0.000306 -0.000165 -0.001002 -0.000650 32O 2dxy 0.006095 -0.005584 -0.000766 0.000219 0.000054 0.000811 32O 1f0 0.001286 -0.001180 0.000130 0.000084 0.000028 0.000194 32O 1f+1 0.001411 -0.001322 -0.000057 0.000073 -0.000040 0.000262 32O 1f-1 0.001232 -0.001119 0.000077 0.000083 0.000091 0.000162 32O 1f+2 -0.000094 0.000108 -0.000077 -0.000013 -0.000006 -0.000074 32O 1f-2 -0.002239 0.002040 -0.000011 -0.000147 0.000076 -0.000293 32O 1f+3 0.000517 -0.000482 -0.000050 0.000044 -0.000084 0.000088 32O 1f-3 0.001067 -0.000968 -0.000085 0.000082 -0.000131 0.000117 33O 1s 0.002471 -0.008768 -0.009720 -0.009694 0.011766 -0.011705 33O 2s 0.005874 -0.021028 -0.023147 -0.023144 0.028077 -0.027935 33O 3s -0.008269 0.032231 0.033329 0.034058 -0.041142 0.040971 33O 4s -0.014785 0.043702 0.055833 0.053667 -0.065011 0.064889 33O 5s -0.013508 0.051984 0.033092 0.038800 -0.065797 0.064095 33O 1pz 0.017847 -0.037350 -0.109468 -0.102328 0.107786 -0.098539 33O 1px -0.014776 0.032749 0.060251 0.054140 -0.065114 0.068660 33O 1py 0.006533 -0.013035 -0.044082 -0.042441 0.033850 -0.043114 33O 2pz 0.014755 -0.029793 -0.091904 -0.084589 0.088541 -0.080429 33O 2px -0.011191 0.024042 0.048849 0.043260 -0.049613 0.052747 33O 2py 0.006000 -0.010924 -0.037848 -0.035649 0.028872 -0.037101 33O 3pz 0.002114 -0.017017 -0.032640 -0.033149 0.050803 -0.045532 33O 3px -0.002468 0.010666 0.024577 0.022785 -0.022735 0.026405 33O 3py -0.000306 -0.009921 -0.009992 -0.012057 0.017237 -0.023910 33O 1dz2 0.000079 -0.000216 -0.000697 -0.000587 0.000834 -0.000866 33O 1dxz -0.000461 0.001150 0.002794 0.002525 -0.002639 0.002530 33O 1dyz 0.000084 -0.000318 -0.000509 -0.000339 0.000931 -0.000888 33O 1dx2y2 0.000283 -0.000581 -0.001195 -0.001019 0.001046 -0.001136 33O 1dxy -0.000076 0.000299 0.000877 0.000892 -0.000708 0.000739 33O 2dz2 -0.000006 0.000438 0.000258 0.000298 -0.000740 0.000247 33O 2dxz -0.000756 0.002288 0.005772 0.005335 -0.005385 0.004946 33O 2dyz -0.000404 0.001361 0.001333 0.001760 -0.001991 0.002249 33O 2dx2y2 0.000266 -0.001823 -0.003417 -0.003035 0.002607 -0.003198 33O 2dxy -0.000298 0.000648 0.001206 0.001435 -0.001595 0.001515 33O 1f0 0.000011 -0.000010 -0.000071 -0.000091 0.000156 -0.000020 33O 1f+1 -0.000174 0.000318 0.000952 0.000848 -0.000987 0.000897 33O 1f-1 0.000100 -0.000259 -0.000529 -0.000740 0.000542 -0.000549 33O 1f+2 0.000085 -0.000169 -0.000503 -0.000340 0.000472 -0.000435 33O 1f-2 -0.000095 0.000178 0.000496 0.000371 -0.000475 0.000522 33O 1f+3 0.000006 -0.000060 -0.000076 -0.000110 0.000069 -0.000039 33O 1f-3 -0.000084 0.000103 0.000366 0.000339 -0.000375 0.000377 34O 1s -0.002029 -0.007185 0.008912 -0.009926 0.011233 0.011642 34O 2s -0.004819 -0.017229 0.021191 -0.023670 0.026776 0.027761 34O 3s 0.006708 0.026419 -0.030108 0.034456 -0.038832 -0.040410 34O 4s 0.012438 0.035972 -0.052917 0.056594 -0.063737 -0.065812 34O 5s 0.011511 0.039255 -0.028711 0.039311 -0.067904 -0.065866 34O 1pz -0.000931 -0.001267 0.026867 -0.028750 0.027064 0.016216 34O 1px -0.017661 -0.038067 0.101959 -0.104099 0.109005 0.109291 34O 1py 0.008539 0.017513 -0.067470 0.071829 -0.059269 -0.068193 34O 2pz -0.001052 -0.001914 0.023102 -0.024236 0.023905 0.014392 34O 2px -0.013791 -0.029256 0.083887 -0.084278 0.085467 0.085652 34O 2py 0.007624 0.014605 -0.057225 0.059728 -0.049491 -0.057406 34O 3pz -0.000170 -0.001659 0.005816 -0.007398 0.018791 0.010834 34O 3px -0.002140 -0.015785 0.036003 -0.037913 0.043126 0.045901 34O 3py -0.000017 0.012193 -0.018040 0.022197 -0.031199 -0.037623 34O 1dz2 0.000227 0.000586 -0.001554 0.001505 -0.001700 -0.001606 34O 1dxz 0.000010 0.000026 0.000257 -0.000284 0.000341 0.000323 34O 1dyz 0.000021 0.000004 0.000207 -0.000373 -0.000166 -0.000211 34O 1dx2y2 -0.000365 -0.000799 0.002211 -0.002226 0.001987 0.002073 34O 1dxy 0.000173 0.000554 -0.001608 0.001601 -0.001778 -0.001863 34O 2dz2 0.000142 0.000544 -0.002466 0.002229 -0.002068 -0.001521 34O 2dxz -0.000028 0.000556 -0.000878 0.000836 -0.000870 -0.000829 34O 2dyz -0.000434 -0.001045 0.001782 -0.002441 0.002880 0.002599 34O 2dx2y2 -0.000537 -0.002470 0.005335 -0.005509 0.004637 0.005423 34O 2dxy 0.000090 0.000231 -0.001309 0.001295 -0.000886 -0.000965 34O 1f0 0.000046 0.000075 -0.000266 0.000431 -0.000343 -0.000281 34O 1f+1 0.000106 0.000245 -0.000663 0.000686 -0.000639 -0.000718 34O 1f-1 -0.000036 -0.000091 0.000219 -0.000183 0.000201 0.000259 34O 1f+2 0.000004 0.000054 0.000037 0.000151 0.000058 -0.000010 34O 1f-2 0.000016 0.000089 -0.000175 0.000313 -0.000226 -0.000159 34O 1f+3 0.000015 0.000046 -0.000183 0.000052 -0.000163 -0.000087 34O 1f-3 -0.000163 -0.000298 0.000994 -0.000984 0.001018 0.001052 35O 1s 0.000724 -0.008257 0.008914 0.009173 -0.011579 0.011249 35O 2s 0.001739 -0.019788 0.021212 0.021889 -0.027631 0.026845 35O 3s -0.002559 0.030038 -0.030355 -0.032070 0.040470 -0.039329 35O 4s -0.004935 0.042517 -0.052288 -0.051703 0.064537 -0.062575 35O 5s -0.007959 0.053407 -0.024705 -0.033863 0.065796 -0.067295 35O 1pz 0.000329 -0.010237 0.060535 0.059236 -0.056110 0.048201 35O 1px -0.004905 -0.034496 0.089633 0.082590 -0.100634 0.091222 35O 1py -0.003059 -0.021974 0.071316 0.067192 -0.060943 0.073803 35O 2pz 0.000185 -0.009667 0.051700 0.049469 -0.047901 0.040879 35O 2px -0.004903 -0.025327 0.074156 0.067047 -0.078910 0.070923 35O 2py -0.003057 -0.017298 0.059843 0.055450 -0.049188 0.060343 35O 3pz 0.000072 -0.008112 0.015136 0.018246 -0.034089 0.029058 35O 3px -0.004786 -0.007561 0.035053 0.032648 -0.043800 0.036297 35O 3py -0.001338 -0.011475 0.023321 0.023114 -0.030603 0.038561 35O 1dz2 -0.000029 0.000524 -0.001482 -0.001410 0.001305 -0.001137 35O 1dxz 0.000047 -0.000265 0.001077 0.001048 -0.001097 0.001088 35O 1dyz -0.000020 -0.000222 0.000333 0.000180 -0.000794 0.000710 35O 1dx2y2 -0.000057 -0.000566 0.001365 0.001200 -0.001347 0.001267 35O 1dxy -0.000004 -0.000811 0.002018 0.001794 -0.002008 0.002109 35O 2dz2 0.000094 0.001507 -0.004172 -0.004127 0.004564 -0.003722 35O 2dxz -0.000369 0.000058 0.000784 0.000940 -0.000527 0.000795 35O 2dyz -0.000208 0.001554 -0.001424 -0.001888 0.002167 -0.002569 35O 2dx2y2 -0.000038 -0.001490 0.004048 0.003502 -0.003432 0.003472 35O 2dxy -0.000274 -0.000917 0.003799 0.003274 -0.002749 0.002992 35O 1f0 0.000045 0.000136 -0.000536 -0.000477 0.000538 -0.000531 35O 1f+1 0.000076 0.000059 -0.000324 -0.000251 0.000278 -0.000319 35O 1f-1 0.000074 -0.000049 -0.000035 0.000235 -0.000049 -0.000014 35O 1f+2 -0.000064 -0.000001 0.000317 0.000178 -0.000355 0.000246 35O 1f-2 -0.000012 -0.000262 0.000787 0.000836 -0.000818 0.000800 35O 1f+3 -0.000002 -0.000043 0.000155 0.000195 -0.000096 0.000250 35O 1f-3 0.000096 0.000269 -0.000976 -0.000903 0.000971 -0.000928 78 79 80 81 82 83 -0.45876 -0.45445 -0.45364 -0.45216 -0.44437 -0.44234 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s -0.000019 0.000080 0.000007 -0.001225 -0.000000 -0.000029 0Rh 2s 0.000077 -0.000292 -0.000039 0.004566 -0.000002 0.000111 0Rh 3s -0.000062 0.000281 0.000017 -0.004255 -0.000004 -0.000100 0Rh 4s -0.000329 0.001225 0.000169 -0.019255 0.000009 -0.000469 0Rh 5s 0.000289 -0.000804 -0.000206 0.014168 -0.000032 0.000350 0Rh 6s 0.000370 -0.002412 0.000011 0.031309 0.000066 0.000767 0Rh 7s 0.000500 0.002124 -0.001216 -0.013924 0.000013 -0.001269 0Rh 8s -0.000725 0.016935 0.000426 0.010947 0.000242 -0.002791 0Rh 1pz 0.000077 0.000701 0.003524 0.002194 0.000111 -0.000213 0Rh 1px -0.000095 -0.000663 0.001415 -0.006275 -0.000007 -0.000259 0Rh 1py 0.000166 0.003646 -0.000390 -0.001455 -0.000140 0.001837 0Rh 2pz -0.000262 -0.002363 -0.011875 -0.007423 -0.000372 0.000721 0Rh 2px 0.000322 0.002235 -0.004773 0.021233 0.000025 0.000873 0Rh 2py -0.000560 -0.012292 0.001314 0.004917 0.000471 -0.006191 0Rh 3pz 0.000222 0.001789 0.008999 0.006127 0.000267 -0.000573 0Rh 3px -0.000284 -0.001689 0.003677 -0.017616 -0.000046 -0.000687 0Rh 3py 0.000445 0.009397 -0.000974 -0.003953 -0.000357 0.004667 0Rh 4pz 0.000268 0.003264 0.016366 0.008567 0.000593 -0.000934 0Rh 4px -0.000316 -0.003114 0.006391 -0.024140 0.000064 -0.001093 0Rh 4py 0.000727 0.016677 -0.001872 -0.006096 -0.000668 0.008606 0Rh 5pz 0.000175 -0.000101 -0.000389 0.002165 -0.000281 0.000075 0Rh 5px -0.000161 0.000186 0.000120 -0.006790 -0.000202 -0.000323 0Rh 5py -0.000107 -0.000087 0.000066 -0.000365 0.000108 0.000046 0Rh 6pz -0.000778 -0.003821 -0.016688 -0.020494 0.001812 -0.001672 0Rh 6px 0.000797 0.003072 -0.008844 0.051255 0.001239 0.005311 0Rh 6py 0.002031 -0.017532 0.003139 0.001287 0.000783 -0.017717 0Rh 1dz2 -0.021509 0.002779 0.013896 -0.000634 -0.001828 0.000448 0Rh 1dxz -0.009938 -0.005599 -0.022310 -0.001632 0.000379 -0.000537 0Rh 1dyz 0.010316 0.008147 -0.006069 -0.000315 -0.005955 -0.001154 0Rh 1dx2y2 -0.015337 0.008144 -0.009296 0.002221 -0.000489 -0.000907 0Rh 1dxy -0.001725 -0.026742 0.001598 0.000750 -0.002400 0.002822 0Rh 2dz2 0.000422 -0.000061 -0.000288 -0.000016 0.000034 -0.000007 0Rh 2dxz 0.000197 0.000121 0.000484 0.000008 -0.000012 0.000016 0Rh 2dyz -0.000197 -0.000168 0.000146 0.000001 0.000104 0.000038 0Rh 2dx2y2 0.000299 -0.000175 0.000197 -0.000007 0.000008 0.000035 0Rh 2dxy 0.000034 0.000590 -0.000030 -0.000001 0.000049 -0.000104 0Rh 3dz2 0.031065 -0.003994 -0.019992 0.001010 0.002640 -0.000656 0Rh 3dxz 0.014383 0.008055 0.032096 0.002435 -0.000533 0.000756 0Rh 3dyz -0.014935 -0.011752 0.008659 0.000473 0.008641 0.001619 0Rh 3dx2y2 0.022154 -0.011691 0.013352 -0.003322 0.000711 0.001251 0Rh 3dxy 0.002497 0.038437 -0.002317 -0.001127 0.003459 -0.003910 0Rh 4dz2 0.041063 -0.005317 -0.026746 0.001075 0.003405 -0.000846 0Rh 4dxz 0.018880 0.010811 0.042923 0.003043 -0.000746 0.001076 0Rh 4dyz -0.019600 -0.015545 0.011876 0.000583 0.011076 0.002305 0Rh 4dx2y2 0.029249 -0.015766 0.017917 -0.004148 0.000893 0.001879 0Rh 4dxy 0.003285 0.051521 -0.003020 -0.001416 0.004532 -0.005774 0Rh 5dz2 0.034913 -0.004590 -0.021908 -0.000137 0.004000 -0.000613 0Rh 5dxz 0.016359 0.008551 0.035087 0.000861 -0.000720 0.000731 0Rh 5dyz -0.017023 -0.013432 0.009027 0.000195 0.012267 0.002142 0Rh 5dx2y2 0.025044 -0.012554 0.014674 -0.000898 0.001167 0.001366 0Rh 5dxy 0.002723 0.041828 -0.002692 0.000187 0.004806 -0.004417 0Rh 1f0 0.000490 0.000122 0.000276 -0.001080 0.001096 0.001825 0Rh 1f+1 -0.000564 -0.000009 0.000708 0.000966 -0.001445 0.000479 0Rh 1f-1 -0.000394 0.000219 0.000140 0.000220 0.001652 0.001779 0Rh 1f+2 -0.000246 -0.000335 -0.000655 0.001534 0.001042 0.001378 0Rh 1f-2 0.000225 0.000258 -0.000390 0.000656 -0.003248 0.000999 0Rh 1f+3 0.000715 -0.000453 0.000314 0.001677 0.000336 0.000109 0Rh 1f-3 0.000217 0.000628 -0.000009 0.001093 0.001952 -0.001196 1Rh 1s -0.000019 -0.000072 0.000046 -0.001226 0.000000 0.000026 1Rh 2s 0.000077 0.000264 -0.000159 0.004568 -0.000004 -0.000098 1Rh 3s -0.000062 -0.000254 0.000166 -0.004255 -0.000002 0.000090 1Rh 4s -0.000326 -0.001106 0.000664 -0.019264 0.000017 0.000412 1Rh 5s 0.000286 0.000720 -0.000406 0.014179 -0.000036 -0.000297 1Rh 6s 0.000367 0.002207 -0.001365 0.031312 0.000045 -0.000715 1Rh 7s 0.000497 -0.001997 0.001812 -0.013938 0.000061 0.001282 1Rh 8s -0.000770 -0.016996 -0.000628 0.010788 0.000458 0.002814 1Rh 1pz -0.000032 0.000703 0.003610 -0.002048 -0.000124 -0.000209 1Rh 1px 0.000108 -0.000708 0.001167 0.006321 0.000007 -0.000267 1Rh 1py -0.000159 0.003637 -0.000455 0.001463 0.000104 0.001835 1Rh 2pz 0.000110 -0.002370 -0.012168 0.006929 0.000416 0.000705 1Rh 2px -0.000367 0.002386 -0.003934 -0.021389 -0.000024 0.000902 1Rh 2py 0.000539 -0.012261 0.001532 -0.004944 -0.000350 -0.006185 1Rh 3pz -0.000106 0.001794 0.009241 -0.005749 -0.000300 -0.000560 1Rh 3px 0.000318 -0.001814 0.002979 0.017735 0.000042 -0.000709 1Rh 3py -0.000426 0.009372 -0.001151 0.003975 0.000266 0.004662 1Rh 4pz -0.000064 0.003273 0.016703 -0.007898 -0.000656 -0.000915 1Rh 4px 0.000378 -0.003287 0.005445 0.024357 -0.000059 -0.001134 1Rh 4py -0.000706 0.016640 -0.002137 0.006128 0.000494 0.008601 1Rh 5pz -0.000175 -0.000091 -0.000304 -0.002159 0.000282 0.000077 1Rh 5px 0.000160 0.000145 -0.000163 0.006785 0.000191 -0.000317 1Rh 5py 0.000115 -0.000093 0.000047 0.000372 -0.000091 0.000043 1Rh 6pz 0.000541 -0.004008 -0.017519 0.019684 -0.001731 -0.001690 1Rh 6px -0.000909 0.003374 -0.006815 -0.051687 -0.001193 0.005309 1Rh 6py -0.001977 -0.017535 0.003128 -0.001368 -0.000647 -0.017752 1Rh 1dz2 -0.021630 -0.002752 -0.013722 -0.001214 -0.001780 -0.000483 1Rh 1dxz -0.009794 0.005608 0.022444 -0.000691 0.000273 0.000547 1Rh 1dyz 0.010344 -0.008178 0.005982 -0.000112 -0.005940 0.001172 1Rh 1dx2y2 -0.015298 -0.008162 0.009297 0.002562 -0.000482 0.000841 1Rh 1dxy -0.001721 0.026743 -0.001652 0.000870 -0.002499 -0.002852 1Rh 2dz2 0.000424 0.000060 0.000286 -0.000004 0.000033 0.000007 1Rh 2dxz 0.000194 -0.000121 -0.000486 -0.000012 -0.000010 -0.000016 1Rh 2dyz -0.000197 0.000169 -0.000144 -0.000004 0.000104 -0.000039 1Rh 2dx2y2 0.000298 0.000175 -0.000199 -0.000015 0.000008 -0.000034 1Rh 2dxy 0.000033 -0.000590 0.000031 -0.000003 0.000050 0.000105 1Rh 3dz2 0.031241 0.003955 0.019736 0.001845 0.002572 0.000710 1Rh 3dxz 0.014177 -0.008069 -0.032293 0.001083 -0.000380 -0.000769 1Rh 3dyz -0.014975 0.011796 -0.008534 0.000184 0.008620 -0.001642 1Rh 3dx2y2 0.022099 0.011718 -0.013351 -0.003810 0.000698 -0.001156 1Rh 3dxy 0.002491 -0.038438 0.002394 -0.001299 0.003604 0.003954 1Rh 4dz2 0.041301 0.005264 0.026423 0.002196 0.003312 0.000907 1Rh 4dxz 0.018602 -0.010830 -0.043180 0.001231 -0.000543 -0.001099 1Rh 4dyz -0.019655 0.015605 -0.011713 0.000183 0.011049 -0.002347 1Rh 4dx2y2 0.029175 0.015803 -0.017922 -0.004811 0.000886 -0.001750 1Rh 4dxy 0.003278 -0.051524 0.003125 -0.001651 0.004716 0.005831 1Rh 5dz2 0.035088 0.004569 0.021667 0.000766 0.003933 0.000706 1Rh 5dxz 0.016132 -0.008549 -0.035229 -0.000611 -0.000546 -0.000726 1Rh 5dyz -0.017050 0.013484 -0.008859 -0.000112 0.012249 -0.002127 1Rh 5dx2y2 0.024978 0.012555 -0.014791 -0.001425 0.001128 -0.001277 1Rh 5dxy 0.002714 -0.041841 0.002714 0.000003 0.004968 0.004468 1Rh 1f0 -0.000500 0.000110 0.000233 0.001095 -0.001112 0.001813 1Rh 1f+1 0.000560 0.000009 0.000750 -0.000937 0.001441 0.000494 1Rh 1f-1 0.000394 0.000219 0.000145 -0.000208 -0.001679 0.001763 1Rh 1f+2 0.000237 -0.000339 -0.000595 -0.001561 -0.001049 0.001374 1Rh 1f-2 -0.000229 0.000275 -0.000348 -0.000667 0.003237 0.001033 1Rh 1f+3 -0.000712 -0.000439 0.000382 -0.001668 -0.000336 0.000104 1Rh 1f-3 -0.000217 0.000627 0.000037 -0.001090 -0.001943 -0.001214 2C 1s 0.000235 -0.006596 -0.007169 0.006753 -0.006027 0.000740 2C 2s 0.000503 -0.014198 -0.015429 0.014525 -0.012908 0.001574 2C 3s -0.001059 0.023337 0.025246 -0.024536 0.021412 -0.002748 2C 4s -0.000110 0.026936 0.029590 -0.024198 0.023196 -0.000497 2C 5s 0.003140 0.029046 0.034056 -0.018350 0.107584 -0.006186 2C 1pz -0.034797 -0.060861 -0.089244 0.075753 -0.076919 0.069736 2C 1px -0.023150 -0.011427 -0.026234 0.019706 -0.018988 0.037989 2C 1py 0.061288 -0.061973 -0.032581 0.046744 -0.051579 -0.085431 2C 2pz -0.027892 -0.048541 -0.071686 0.063368 -0.063255 0.056706 2C 2px -0.018580 -0.010201 -0.021925 0.017660 -0.017573 0.030027 2C 2py 0.050375 -0.049418 -0.025594 0.038782 -0.041563 -0.066769 2C 3pz -0.008307 -0.015953 -0.024098 0.023927 -0.003534 0.023286 2C 3px -0.005492 0.001733 -0.003759 0.002679 0.003632 0.013418 2C 3py 0.015403 -0.017524 -0.008168 0.015680 -0.003848 -0.027873 2C 1dz2 -0.000996 -0.002593 -0.003429 0.003050 -0.003073 0.001573 2C 1dxz 0.001122 -0.001508 -0.000977 0.001214 -0.001326 -0.001794 2C 1dyz 0.000658 -0.004511 -0.004705 0.004648 -0.004705 0.000267 2C 1dx2y2 -0.000367 0.001217 0.001226 -0.001209 0.001309 -0.000230 2C 1dxy -0.002266 -0.000334 -0.001691 0.001051 -0.000913 0.003730 2C 2dz2 -0.003376 -0.001554 -0.003916 0.003354 -0.003580 0.004796 2C 2dxz -0.000682 -0.000189 -0.000674 0.000863 -0.000160 0.000800 2C 2dyz 0.002498 -0.005722 -0.005016 0.006405 -0.007529 -0.001048 2C 2dx2y2 -0.002143 0.001465 0.000521 -0.001207 0.000925 0.001564 2C 2dxy -0.001754 -0.000841 -0.002304 0.002014 -0.002158 0.003059 2C 1f0 -0.000929 0.000319 -0.000115 -0.000072 0.000060 0.000970 2C 1f+1 -0.000648 -0.000134 -0.000489 0.000372 -0.000403 0.000868 2C 1f-1 -0.000069 -0.000589 -0.000732 0.000805 -0.000967 0.000336 2C 1f+2 -0.000923 0.000250 -0.000221 -0.000085 0.000228 0.000930 2C 1f-2 -0.000071 0.000223 0.000219 -0.000130 0.000154 0.000021 2C 1f+3 0.000230 -0.000674 -0.000631 0.000667 -0.000701 -0.000182 2C 1f-3 0.000332 -0.000313 -0.000185 0.000254 -0.000334 -0.000260 3C 1s -0.000248 0.007086 -0.006544 0.006681 0.006090 -0.002651 3C 2s -0.000531 0.015282 -0.014106 0.014397 0.013070 -0.005680 3C 3s 0.000579 -0.025866 0.023902 -0.025127 -0.022439 0.010279 3C 4s 0.002656 -0.025166 0.023220 -0.019980 -0.019797 0.004791 3C 5s 0.003973 -0.033908 0.031321 -0.022473 -0.110777 0.015674 3C 1pz -0.061529 0.024439 -0.055217 0.039462 0.043636 -0.075956 3C 1px -0.011339 0.026704 -0.031152 0.027585 0.031016 -0.025011 3C 1py -0.039463 -0.089989 0.061044 -0.076647 -0.079744 -0.001411 3C 2pz -0.049821 0.019093 -0.043980 0.032629 0.034357 -0.061876 3C 2px -0.009238 0.022394 -0.026213 0.024413 0.027139 -0.021281 3C 2py -0.033087 -0.073521 0.050092 -0.065618 -0.067154 0.001912 3C 3pz -0.014492 0.008344 -0.018956 0.015885 0.006713 -0.023278 3C 3px -0.001833 0.006928 -0.006511 0.006396 -0.000662 -0.008796 3C 3py -0.011386 -0.024056 0.015130 -0.023798 -0.003382 -0.001085 3C 1dz2 -0.002422 -0.001644 0.000305 -0.001005 -0.000931 -0.001474 3C 1dxz 0.000200 0.001552 -0.001266 0.001449 0.001502 -0.000302 3C 1dyz -0.000771 -0.004449 0.003625 -0.004080 -0.004173 0.000881 3C 1dx2y2 0.000785 -0.002667 0.002879 -0.002783 -0.002949 0.002362 3C 1dxy 0.001016 -0.002281 0.002652 -0.002443 -0.002598 0.002193 3C 2dz2 -0.004350 -0.002948 0.000245 -0.001906 -0.002174 -0.002086 3C 2dxz -0.000935 0.001059 -0.001300 0.001398 0.001223 -0.001571 3C 2dyz 0.000953 -0.005503 0.005759 -0.006859 -0.008128 0.003853 3C 2dx2y2 -0.001553 -0.003254 0.002343 -0.003500 -0.003261 0.001494 3C 2dxy 0.000434 -0.002673 0.002720 -0.003068 -0.003281 0.002601 3C 1f0 0.000074 -0.000738 0.000718 -0.000802 -0.000894 0.000506 3C 1f+1 -0.000409 -0.000148 -0.000060 -0.000026 0.000012 -0.000274 3C 1f-1 0.001126 -0.000107 0.000606 -0.000385 -0.000467 0.000851 3C 1f+2 -0.000048 0.000086 -0.000070 -0.000052 -0.000112 0.000086 3C 1f-2 0.000433 0.000027 0.000224 -0.000176 -0.000290 0.000512 3C 1f+3 0.000486 0.000710 -0.000417 0.000626 0.000754 -0.000063 3C 1f-3 -0.000597 -0.000596 0.000285 -0.000526 -0.000596 -0.000124 4C 1s -0.000028 0.001571 0.001389 -0.000513 -0.000849 -0.001403 4C 2s -0.000079 0.003507 0.003117 -0.001255 -0.001886 -0.003095 4C 3s 0.000770 -0.005970 -0.005313 0.005793 0.006624 0.006205 4C 4s -0.002500 -0.006257 -0.004094 -0.024537 -0.007078 0.000145 4C 5s 0.000464 -0.020347 -0.020521 0.002551 -0.035258 0.002803 4C 1pz -0.055761 0.107402 0.089363 -0.100483 0.108795 0.050744 4C 1px -0.036700 0.027478 0.011089 -0.018778 0.022415 0.038932 4C 1py 0.093553 0.039818 0.098044 -0.071870 0.071932 -0.123768 4C 2pz -0.046047 0.077920 0.058654 -0.071947 0.065805 0.045263 4C 2px -0.030382 0.019318 0.006477 -0.012150 0.013359 0.033729 4C 2py 0.078373 0.022520 0.073981 -0.051742 0.043249 -0.102600 4C 3pz -0.013951 0.018584 0.012864 -0.010350 0.081408 0.012989 4C 3px -0.007863 -0.000269 0.001487 -0.003818 0.015136 0.006419 4C 3py 0.025121 0.002870 0.017750 -0.009088 0.055214 -0.019492 4C 1dz2 -0.001398 0.000985 0.000346 -0.000580 0.000460 0.001355 4C 1dxz -0.000588 0.000582 0.000391 -0.000373 0.000355 0.000687 4C 1dyz 0.000792 0.000869 0.001386 -0.001189 0.000751 -0.000508 4C 1dx2y2 -0.001082 -0.000235 -0.000785 0.000300 -0.000263 0.000418 4C 1dxy -0.000184 0.000237 0.000186 -0.000265 0.000223 0.000046 4C 2dz2 -0.004460 0.004747 0.001778 -0.003819 0.003470 0.000025 4C 2dxz -0.001837 0.001920 0.001403 -0.000505 0.001468 0.000285 4C 2dyz 0.002096 0.002482 0.004550 -0.005195 0.004873 -0.001833 4C 2dx2y2 -0.003285 -0.000726 -0.002953 0.000878 -0.001144 0.000045 4C 2dxy -0.001028 0.000325 0.000422 -0.001243 0.001227 0.000637 4C 1f0 -0.000943 -0.000213 -0.000928 0.000789 -0.000610 0.001375 4C 1f+1 0.000570 -0.001268 -0.001206 0.001622 -0.001391 -0.000083 4C 1f-1 -0.000272 0.000978 0.000863 -0.000730 0.000896 0.000219 4C 1f+2 -0.001745 0.001082 0.000111 -0.000979 0.000746 0.001801 4C 1f-2 -0.001874 0.000811 -0.000147 -0.000241 0.000380 0.002080 4C 1f+3 0.002050 -0.000191 0.000903 -0.000450 0.000302 -0.002396 4C 1f-3 -0.001404 -0.000718 -0.001669 0.001502 -0.001276 0.001942 5C 1s 0.000000 -0.001835 0.001104 -0.000485 0.000886 0.002250 5C 2s -0.000002 -0.004084 0.002484 -0.001191 0.001972 0.004998 5C 3s -0.000171 0.007420 -0.004848 0.006436 -0.006087 -0.011299 5C 4s 0.000671 0.004305 0.000007 -0.029044 0.002659 0.005615 5C 5s -0.005387 0.019613 -0.019185 0.002270 0.034217 -0.015210 5C 1pz -0.094863 -0.087203 0.032881 -0.061890 -0.064631 -0.042102 5C 1px -0.017232 -0.045061 0.032138 -0.042012 -0.042842 0.002100 5C 1py -0.061345 0.084933 -0.110325 0.099075 0.109848 -0.084738 5C 2pz -0.078922 -0.064944 0.017433 -0.043948 -0.038606 -0.039851 5C 2px -0.013563 -0.033810 0.021255 -0.031332 -0.026244 -0.000771 5C 2py -0.052390 0.054133 -0.079326 0.069669 0.065874 -0.064508 5C 3pz -0.021989 -0.012447 0.003545 -0.007973 -0.049409 -0.010422 5C 3px -0.005136 -0.012595 0.003497 -0.003591 -0.029978 0.000379 5C 3py -0.018364 0.008195 -0.017030 0.011239 0.080726 -0.011081 5C 1dz2 -0.001527 -0.000209 -0.000525 0.000258 0.000225 -0.001143 5C 1dxz -0.000709 -0.000673 0.000274 -0.000337 -0.000281 -0.000837 5C 1dyz 0.000752 0.001100 -0.000696 0.000972 0.000618 0.000188 5C 1dx2y2 -0.000862 0.000535 -0.000932 0.000525 0.000448 0.000425 5C 1dxy -0.000057 0.000725 -0.000675 0.000714 0.000494 0.000287 5C 2dz2 -0.004963 -0.001101 -0.001930 0.001961 0.001349 -0.002375 5C 2dxz -0.001963 -0.002737 0.001348 -0.001810 -0.001602 0.000083 5C 2dyz 0.002390 0.004397 -0.002969 0.005532 0.005221 -0.003647 5C 2dx2y2 -0.001964 0.002565 -0.004339 0.002601 0.003107 -0.000147 5C 2dxy 0.000301 0.003089 -0.002700 0.003450 0.003330 -0.000826 5C 1f0 0.000859 0.001442 -0.000933 0.001209 0.001244 -0.000043 5C 1f+1 0.001344 0.001441 -0.000672 0.001357 0.001166 0.000211 5C 1f-1 0.002452 0.000772 0.000669 0.000035 0.000019 0.001728 5C 1f+2 -0.001946 0.000076 -0.001037 0.000441 0.000603 -0.001384 5C 1f-2 0.000856 -0.000168 0.000720 -0.000730 -0.000603 0.001138 5C 1f+3 0.000201 0.000767 -0.000580 0.001132 0.000830 -0.000386 5C 1f-3 0.000848 -0.000976 0.001285 -0.001503 -0.001311 0.001347 6C 1s 0.000001 0.001847 -0.001083 -0.000524 0.000899 -0.002233 6C 2s -0.000001 0.004111 -0.002433 -0.001277 0.002001 -0.004960 6C 3s -0.000139 -0.007530 0.004573 0.006603 -0.006161 0.011182 6C 4s 0.000523 -0.003997 0.001161 -0.029035 0.002729 -0.005511 6C 5s -0.005242 -0.019449 0.019033 0.002934 0.034100 0.015358 6C 1pz 0.094673 -0.087400 0.029826 0.062467 0.065612 -0.040811 6C 1px 0.017350 -0.045051 0.030247 0.042967 0.043005 0.002500 6C 1py 0.060610 0.085119 -0.107083 -0.103080 -0.108930 -0.085119 6C 2pz 0.078731 -0.065139 0.015150 0.044055 0.039456 -0.038915 6C 2px 0.013683 -0.033842 0.019843 0.031973 0.026411 -0.000521 6C 2py 0.051772 0.054374 -0.077109 -0.072627 -0.065139 -0.064578 6C 3pz 0.021997 -0.012394 0.003186 0.007968 0.049563 -0.009857 6C 3px 0.005171 -0.012539 0.003388 0.003653 0.030026 0.000702 6C 3py 0.018160 0.008126 -0.016998 -0.011928 -0.080617 -0.011718 6C 1dz2 -0.001519 0.000210 0.000524 0.000282 0.000207 0.001135 6C 1dxz -0.000710 0.000673 -0.000256 -0.000342 -0.000293 0.000828 6C 1dyz 0.000756 -0.001105 0.000652 0.000991 0.000625 -0.000180 6C 1dx2y2 -0.000852 -0.000534 0.000917 0.000557 0.000449 -0.000422 6C 1dxy -0.000050 -0.000728 0.000647 0.000737 0.000499 -0.000283 6C 2dz2 -0.004925 0.001087 0.001892 0.002048 0.001311 0.002367 6C 2dxz -0.001937 0.002721 -0.001273 -0.001844 -0.001617 -0.000119 6C 2dyz 0.002390 -0.004421 0.002747 0.005623 0.005206 0.003681 6C 2dx2y2 -0.001970 -0.002544 0.004246 0.002751 0.003108 0.000193 6C 2dxy 0.000313 -0.003077 0.002562 0.003532 0.003324 0.000858 6C 1f0 -0.000860 0.001448 -0.000882 -0.001235 -0.001250 -0.000059 6C 1f+1 -0.001345 0.001448 -0.000609 -0.001374 -0.001178 0.000194 6C 1f-1 -0.002439 0.000773 0.000690 0.000002 -0.000048 0.001708 6C 1f+2 0.001935 0.000075 -0.001034 -0.000488 -0.000583 -0.001375 6C 1f-2 -0.000851 -0.000173 0.000702 0.000760 0.000589 0.001137 6C 1f+3 -0.000208 0.000770 -0.000531 -0.001149 -0.000829 -0.000389 6C 1f-3 -0.000836 -0.000984 0.001236 0.001550 0.001296 0.001351 7C 1s -0.000042 -0.001561 -0.001363 -0.000564 -0.000870 0.001407 7C 2s -0.000109 -0.003484 -0.003055 -0.001370 -0.001933 0.003105 7C 3s 0.000802 0.005947 0.005061 0.005990 0.006709 -0.006213 7C 4s -0.002378 0.006165 0.005082 -0.024413 -0.007014 -0.000206 7C 5s 0.000462 0.020141 0.020128 0.003546 -0.035290 -0.003519 7C 1pz 0.056168 0.106095 0.084447 0.104675 -0.109728 0.049370 7C 1px 0.036574 0.027301 0.010028 0.019341 -0.022802 0.038455 7C 1py -0.092358 0.039276 0.095570 0.075997 -0.071393 -0.124260 7C 2pz 0.046331 0.077088 0.055116 0.074757 -0.066559 0.044376 7C 2px 0.030214 0.019219 0.005753 0.012507 -0.013678 0.033359 7C 2py -0.077400 0.022190 0.072244 0.054773 -0.042690 -0.102806 7C 3pz 0.013954 0.018362 0.012102 0.010965 -0.081676 0.011928 7C 3px 0.007796 -0.000339 0.001215 0.003849 -0.015055 0.006170 7C 3py -0.025009 0.002714 0.017353 0.009720 -0.055207 -0.020244 7C 1dz2 -0.001398 -0.000976 -0.000307 -0.000599 0.000474 -0.001354 7C 1dxz -0.000589 -0.000577 -0.000369 -0.000391 0.000365 -0.000686 7C 1dyz 0.000773 -0.000860 -0.001336 -0.001249 0.000755 0.000511 7C 1dx2y2 -0.001062 0.000234 0.000775 0.000331 -0.000266 -0.000404 7C 1dxy -0.000181 -0.000236 -0.000174 -0.000276 0.000225 -0.000038 7C 2dz2 -0.004505 -0.004683 -0.001564 -0.003890 0.003482 -0.000062 7C 2dxz -0.001839 -0.001887 -0.001366 -0.000579 0.001487 -0.000301 7C 2dyz 0.002073 -0.002439 -0.004354 -0.005406 0.004887 0.001908 7C 2dx2y2 -0.003233 0.000702 0.002941 0.001014 -0.001164 -0.000003 7C 2dxy -0.001013 -0.000327 -0.000367 -0.001266 0.001244 -0.000610 7C 1f0 0.000930 -0.000213 -0.000904 -0.000831 0.000607 0.001375 7C 1f+1 -0.000579 -0.001258 -0.001133 -0.001678 0.001401 -0.000069 7C 1f-1 0.000293 0.000970 0.000822 0.000768 -0.000902 0.000228 7C 1f+2 0.001740 0.001067 0.000052 0.000989 -0.000762 0.001790 7C 1f-2 0.001867 0.000802 -0.000174 0.000238 -0.000397 0.002076 7C 1f+3 -0.002033 -0.000194 0.000895 0.000483 -0.000283 -0.002391 7C 1f-3 0.001384 -0.000709 -0.001610 -0.001570 0.001264 0.001950 8C 1s -0.000209 -0.007109 0.006289 0.006900 0.006080 0.002691 8C 2s -0.000448 -0.015329 0.013555 0.014870 0.013048 0.005766 8C 3s 0.000441 0.025944 -0.022933 -0.025922 -0.022393 -0.010428 8C 4s 0.002464 0.025262 -0.022486 -0.020777 -0.019804 -0.004886 8C 5s 0.003792 0.033763 -0.030716 -0.023533 -0.110716 -0.016692 8C 1pz 0.061042 0.024505 -0.054228 -0.041705 -0.042672 -0.075612 8C 1px 0.011176 0.026877 -0.030353 -0.028759 -0.030816 -0.025207 8C 1py 0.039607 -0.090127 0.057740 0.078394 0.080109 -0.000422 8C 2pz 0.049455 0.019140 -0.043155 -0.034419 -0.033591 -0.061613 8C 2px 0.009114 0.022535 -0.025492 -0.025408 -0.026998 -0.021455 8C 2py 0.033180 -0.073617 0.047273 0.067038 0.067402 0.002740 8C 3pz 0.014326 0.008372 -0.018408 -0.016605 -0.006360 -0.023096 8C 3px 0.001766 0.006939 -0.006226 -0.006573 0.000843 -0.008753 8C 3py 0.011351 -0.024178 0.014100 0.024255 0.003556 -0.000960 8C 1dz2 -0.002414 0.001648 -0.000248 -0.001001 -0.000960 0.001443 8C 1dxz 0.000253 -0.001568 0.001194 0.001490 0.001506 0.000272 8C 1dyz -0.000765 0.004452 -0.003469 -0.004193 -0.004177 -0.000943 8C 1dx2y2 0.000749 0.002680 -0.002775 -0.002887 -0.002930 -0.002353 8C 1dxy 0.001021 0.002282 -0.002576 -0.002539 -0.002577 -0.002222 8C 2dz2 -0.004329 0.002963 -0.000154 -0.001902 -0.002235 0.002026 8C 2dxz -0.000895 -0.001074 0.001246 0.001446 0.001207 0.001545 8C 2dyz 0.000943 0.005492 -0.005503 -0.007041 -0.008085 -0.003916 8C 2dx2y2 -0.001557 0.003257 -0.002191 -0.003572 -0.003265 -0.001520 8C 2dxy 0.000443 0.002671 -0.002613 -0.003159 -0.003252 -0.002639 8C 1f0 -0.000072 -0.000741 0.000691 0.000829 0.000893 0.000514 8C 1f+1 0.000411 -0.000138 -0.000075 0.000011 -0.000018 -0.000278 8C 1f-1 -0.001118 -0.000103 0.000596 0.000407 0.000451 0.000844 8C 1f+2 0.000051 0.000082 -0.000073 0.000053 0.000115 0.000085 8C 1f-2 -0.000433 0.000036 0.000213 0.000176 0.000272 0.000508 8C 1f+3 -0.000487 0.000719 -0.000396 -0.000644 -0.000764 -0.000074 8C 1f-3 0.000591 -0.000587 0.000255 0.000525 0.000594 -0.000114 9C 1s 0.000256 0.006510 0.006872 0.007070 -0.006053 -0.000848 9C 2s 0.000548 0.014013 0.014788 0.015207 -0.012964 -0.001805 9C 3s -0.001125 -0.023016 -0.024157 -0.025644 0.021493 0.003131 9C 4s -0.000190 -0.026651 -0.028544 -0.025524 0.023350 0.000996 9C 5s 0.002963 -0.028676 -0.032757 -0.019760 0.107705 0.007598 9C 1pz 0.034387 -0.059734 -0.085985 -0.079323 0.076434 0.071021 9C 1px 0.022934 -0.011008 -0.025377 -0.020671 0.018636 0.038152 9C 1py -0.060910 -0.061662 -0.030621 -0.048953 0.053018 -0.083991 9C 2pz 0.027567 -0.047605 -0.068967 -0.066219 0.062824 0.057696 9C 2px 0.018410 -0.009862 -0.021177 -0.018492 0.017323 0.030198 9C 2py -0.050097 -0.049202 -0.024002 -0.040595 0.042803 -0.065698 9C 3pz 0.008157 -0.015701 -0.023213 -0.024966 0.003526 0.023346 9C 3px 0.005451 0.001795 -0.003661 -0.002762 -0.003775 0.013340 9C 3py -0.015253 -0.017284 -0.007438 -0.016126 0.003955 -0.027497 9C 1dz2 -0.001000 0.002533 0.003288 0.003178 -0.003052 -0.001651 9C 1dxz 0.001105 0.001479 0.000912 0.001254 -0.001338 0.001745 9C 1dyz 0.000723 0.004479 0.004497 0.004874 -0.004744 -0.000264 9C 1dx2y2 -0.000280 -0.001199 -0.001219 -0.001288 0.001330 0.000400 9C 1dxy -0.002239 0.000320 0.001651 0.001109 -0.000878 -0.003718 9C 2dz2 -0.003360 0.001493 0.003775 0.003486 -0.003534 -0.004835 9C 2dxz -0.000696 0.000136 0.000610 0.000849 -0.000108 -0.000812 9C 2dyz 0.002521 0.005664 0.004730 0.006662 -0.007588 0.000981 9C 2dx2y2 -0.002079 -0.001437 -0.000486 -0.001251 0.000950 -0.001459 9C 2dxy -0.001711 0.000822 0.002214 0.002098 -0.002129 -0.003041 9C 1f0 0.000922 0.000323 -0.000116 0.000079 -0.000078 0.000960 9C 1f+1 0.000636 -0.000123 -0.000466 -0.000383 0.000388 0.000860 9C 1f-1 0.000082 -0.000582 -0.000709 -0.000844 0.000974 0.000368 9C 1f+2 0.000919 0.000237 -0.000243 0.000068 -0.000226 0.000929 9C 1f-2 0.000082 0.000220 0.000203 0.000132 -0.000149 0.000031 9C 1f+3 -0.000236 -0.000657 -0.000588 -0.000686 0.000696 -0.000180 9C 1f-3 -0.000341 -0.000337 -0.000196 -0.000291 0.000367 -0.000263 10H 1s -0.006186 0.022318 0.021430 -0.021451 0.021842 0.004648 10H 2s -0.008931 0.029653 0.027520 -0.028469 0.029270 0.007453 10H 3s -0.003272 0.000195 -0.000299 -0.000346 -0.005271 0.002581 10H 1pz -0.001968 -0.000341 -0.001612 0.001018 -0.000925 0.003139 10H 1px 0.000101 -0.003669 -0.003982 0.003837 -0.004006 0.000574 10H 1py 0.001951 -0.001711 -0.000756 0.001216 -0.001299 -0.002822 11H 1s 0.032199 0.014491 0.035475 -0.025465 0.023717 -0.055340 11H 2s 0.042842 0.017943 0.045886 -0.032900 0.029367 -0.075580 11H 3s 0.012681 0.005669 0.011752 -0.009660 0.006457 -0.017563 11H 1pz 0.002432 -0.000969 0.000317 0.000286 -0.000528 -0.003740 11H 1px 0.002742 0.000806 0.002562 -0.001700 0.001351 -0.004759 11H 1py 0.000018 -0.003004 -0.003393 0.003227 -0.003159 0.000733 12H 1s -0.026500 0.029296 0.016639 -0.022675 0.023851 0.038021 12H 2s -0.035420 0.038279 0.021400 -0.029995 0.030944 0.052166 12H 3s -0.011298 0.008038 0.003125 -0.005992 0.002479 0.015717 12H 1pz -0.000611 -0.003232 -0.003921 0.003598 -0.003595 0.001605 12H 1px -0.002733 0.001569 0.000122 -0.000801 0.000789 0.004112 12H 1py -0.001953 0.001904 0.000949 -0.001457 0.001504 0.002936 13H 1s 0.009809 -0.020555 0.023703 -0.022459 -0.022671 0.018821 13H 2s 0.013334 -0.026634 0.031694 -0.030329 -0.030859 0.025811 13H 3s 0.003950 0.000112 0.000317 0.000459 0.005690 0.005040 13H 1pz -0.001038 -0.001251 0.000621 -0.001048 -0.001080 -0.000561 13H 1px -0.001426 0.003499 -0.004031 0.003808 0.004020 -0.002993 13H 1py -0.002134 -0.002325 0.000973 -0.001644 -0.001692 -0.001209 14H 1s 0.023464 -0.016948 0.028287 -0.021703 -0.023389 0.032587 14H 2s 0.030991 -0.021661 0.036831 -0.028224 -0.030071 0.044147 14H 3s 0.010128 -0.000977 0.005793 -0.003968 -0.000011 0.009288 14H 1pz -0.000120 -0.000326 0.000261 -0.000248 -0.000364 0.000119 14H 1px 0.002948 -0.001258 0.002757 -0.001913 -0.001986 0.003757 14H 1py -0.001150 -0.003777 0.002886 -0.003361 -0.003478 0.000498 15H 1s -0.033497 -0.035157 0.014123 -0.024934 -0.024422 -0.021171 15H 2s -0.044730 -0.045631 0.017729 -0.031946 -0.030090 -0.029284 15H 3s -0.013347 -0.011140 0.005456 -0.009062 -0.006782 -0.011084 15H 1pz 0.001143 0.004207 -0.003176 0.003680 0.003568 -0.000585 15H 1px -0.001631 -0.000140 -0.000753 0.000271 0.000479 -0.001731 15H 1py 0.003193 0.000989 0.000757 0.000069 -0.000178 0.003020 16H 1s -0.000002 -0.004142 0.008175 -0.002128 0.001090 0.002539 16H 2s 0.000395 -0.004953 0.010064 0.001537 -0.000840 0.004767 16H 3s 0.000099 -0.005651 -0.002589 -0.003515 -0.001548 0.000925 16H 1pz -0.000087 -0.000528 0.000567 -0.000099 0.000058 0.000601 16H 1px -0.000117 0.000168 0.000346 -0.000774 0.000222 0.000149 16H 1py 0.000175 0.000796 0.000892 -0.000249 0.000278 -0.000260 17H 1s -0.000081 -0.004781 -0.007563 -0.001534 -0.001658 0.001173 17H 2s 0.000714 -0.005594 -0.010102 0.002233 -0.000482 0.003441 17H 3s 0.000295 -0.005481 0.002826 -0.003260 0.001083 0.000987 17H 1pz 0.000162 0.000465 0.000300 0.000466 0.000172 -0.000512 17H 1px -0.000109 0.000515 0.000106 -0.000625 -0.000096 -0.000285 17H 1py 0.000114 0.000664 -0.000957 -0.000221 -0.000293 -0.000226 18H 1s -0.000080 0.004982 0.007507 -0.001203 -0.001668 -0.001262 18H 2s 0.000802 0.005852 0.009862 0.002670 -0.000584 -0.003517 18H 3s 0.000287 0.005425 -0.002790 -0.003348 0.001018 -0.000993 18H 1pz -0.000157 0.000473 0.000322 -0.000452 -0.000170 -0.000513 18H 1px 0.000122 0.000507 0.000073 0.000632 0.000085 -0.000282 18H 1py -0.000116 0.000656 -0.000964 0.000179 0.000299 -0.000231 19H 1s -0.000001 0.003961 -0.008177 -0.002435 0.001109 -0.002479 19H 2s 0.000317 0.004677 -0.010257 0.001149 -0.000861 -0.004747 19H 3s 0.000112 0.005742 0.002597 -0.003382 -0.001591 -0.000951 19H 1pz 0.000095 -0.000535 0.000568 0.000119 -0.000056 0.000604 19H 1px 0.000110 0.000163 0.000305 0.000787 -0.000229 0.000142 19H 1py -0.000171 0.000795 0.000880 0.000295 -0.000273 -0.000259 20H 1s -0.033382 0.035201 -0.012900 -0.025169 -0.024851 0.020560 20H 2s -0.044568 0.045695 -0.016129 -0.032223 -0.030679 0.028469 20H 3s -0.013353 0.011136 -0.004972 -0.009136 -0.006914 0.010906 20H 1pz -0.001151 0.004221 -0.003029 -0.003781 -0.003582 -0.000630 20H 1px 0.001660 -0.000173 -0.000751 -0.000285 -0.000434 -0.001744 20H 1py -0.003158 0.000978 0.000790 -0.000014 0.000138 0.002970 21H 1s 0.023437 0.016977 -0.027765 -0.022815 -0.023002 -0.032705 21H 2s 0.030960 0.021724 -0.036177 -0.029693 -0.029548 -0.044298 21H 3s 0.010169 0.001032 -0.005817 -0.004283 0.000030 -0.009251 21H 1pz 0.000084 -0.000342 0.000286 0.000278 0.000384 0.000169 21H 1px -0.002937 -0.001247 0.002702 0.002010 0.001920 0.003745 21H 1py 0.001149 -0.003785 0.002754 0.003453 0.003488 0.000548 22H 1s 0.009409 0.020644 -0.022810 -0.023303 -0.022487 -0.018624 22H 2s 0.012777 0.026760 -0.030475 -0.031463 -0.030599 -0.025511 22H 3s 0.003816 -0.000104 -0.000303 0.000459 0.005787 -0.004845 22H 1pz 0.001076 -0.001244 0.000540 0.001043 0.001073 -0.000588 22H 1px 0.001379 0.003524 -0.003899 -0.003964 -0.004005 -0.002990 22H 1py 0.002118 -0.002311 0.000885 0.001647 0.001701 -0.001167 23H 1s -0.026706 -0.029089 -0.015433 -0.023598 0.024374 -0.037974 23H 2s -0.035672 -0.037983 -0.019804 -0.031170 0.031605 -0.052099 23H 3s -0.011373 -0.008092 -0.002947 -0.006350 0.002888 -0.015810 23H 1pz 0.000569 -0.003195 -0.003760 -0.003769 0.003595 0.001627 23H 1px 0.002679 0.001504 0.000036 0.000771 -0.000779 0.004032 23H 1py 0.002016 0.001905 0.000857 0.001513 -0.001538 0.003016 24H 1s 0.031667 -0.014202 -0.034442 -0.026830 0.023308 0.055223 24H 2s 0.042181 -0.017524 -0.044551 -0.034644 0.028787 0.075407 24H 3s 0.012524 -0.005489 -0.011354 -0.010052 0.006203 0.017588 24H 1pz -0.002373 -0.000969 0.000317 -0.000297 0.000569 -0.003644 24H 1px -0.002747 0.000807 0.002545 0.001834 -0.001346 -0.004823 24H 1py -0.000089 -0.002965 -0.003220 -0.003363 0.003164 0.000687 25H 1s -0.005804 -0.021975 -0.020608 -0.022442 0.021977 -0.003551 25H 2s -0.008388 -0.029212 -0.026465 -0.029785 0.029497 -0.005913 25H 3s -0.003044 -0.000154 0.000244 -0.000317 -0.005307 -0.002333 25H 1pz 0.001911 -0.000313 -0.001540 -0.001052 0.000874 0.003076 25H 1px -0.000054 -0.003601 -0.003829 -0.004012 0.004015 0.000739 25H 1py -0.001963 -0.001743 -0.000733 -0.001310 0.001385 -0.002813 26O 1s -0.000093 0.006798 0.007884 -0.007855 0.008039 0.000390 26O 2s -0.000211 0.016311 0.018916 -0.018833 0.019329 0.000945 26O 3s 0.000097 -0.024685 -0.028603 0.028172 -0.029921 -0.001722 26O 4s 0.001563 -0.038582 -0.044575 0.045078 -0.041328 -0.001115 26O 5s -0.000606 -0.032098 -0.043020 0.047440 -0.062120 -0.003471 26O 1pz -0.048492 0.070837 0.053836 -0.063612 0.063524 0.046197 26O 1px -0.030025 -0.065601 -0.091368 0.082189 -0.087744 0.041509 26O 1py 0.083751 -0.011198 0.030479 -0.010236 0.003303 -0.089021 26O 2pz -0.040818 0.059502 0.044484 -0.053526 0.053270 0.038824 26O 2px -0.025596 -0.050798 -0.072021 0.064124 -0.069412 0.034518 26O 2py 0.070169 -0.008569 0.027676 -0.010545 0.004356 -0.075358 26O 3pz -0.020837 0.030554 0.027270 -0.030433 0.021833 0.019023 26O 3px -0.013289 -0.033956 -0.039778 0.025861 -0.038776 0.017344 26O 3py 0.037445 -0.003488 0.012309 -0.009062 -0.002370 -0.044191 26O 1dz2 -0.000242 -0.000634 -0.000858 0.000860 -0.000951 0.000076 26O 1dxz 0.001042 -0.001851 -0.001406 0.001610 -0.001557 -0.001101 26O 1dyz 0.000501 -0.000722 -0.000517 0.000597 -0.000610 -0.000236 26O 1dx2y2 0.001281 0.001192 0.002210 -0.001866 0.001874 -0.001953 26O 1dxy -0.001693 0.000530 -0.000377 -0.000186 0.000387 0.001810 26O 2dz2 -0.001008 -0.000885 -0.001488 0.001004 -0.002209 0.000696 26O 2dxz 0.002887 -0.006993 -0.006203 0.006640 -0.006676 -0.002817 26O 2dyz 0.001889 -0.002162 -0.001409 0.001975 -0.002206 -0.002096 26O 2dx2y2 0.003532 0.003439 0.005867 -0.004384 0.005570 -0.004852 26O 2dxy -0.005012 0.000327 -0.002669 0.001579 -0.000175 0.005864 26O 1f0 0.000199 -0.000575 -0.000594 0.000622 -0.000635 -0.000240 26O 1f+1 -0.000154 0.000672 0.000731 -0.000705 0.000890 0.000097 26O 1f-1 -0.000470 0.000287 0.000106 -0.000170 0.000290 0.000473 26O 1f+2 -0.000749 0.000647 0.000361 -0.000517 0.000531 0.000786 26O 1f-2 -0.000349 0.000668 0.000522 -0.000644 0.000673 0.000282 26O 1f+3 0.001263 0.000528 0.001196 -0.000876 0.000950 -0.001603 26O 1f-3 -0.000436 0.000502 0.000300 -0.000350 0.000585 0.000489 27O 1s 0.000021 -0.007508 0.007283 -0.008250 -0.008303 0.000162 27O 2s 0.000034 -0.017992 0.017450 -0.019758 -0.019947 0.000339 27O 3s 0.000209 0.026943 -0.026106 0.029277 0.030629 0.000565 27O 4s -0.001444 0.043083 -0.042094 0.047817 0.043311 -0.005671 27O 5s 0.000228 0.042427 -0.038044 0.055902 0.065881 0.002948 27O 1pz -0.083832 -0.071176 0.026480 -0.050422 -0.049195 -0.038297 27O 1px -0.016824 0.069710 -0.073491 0.077588 0.084535 -0.032492 27O 1py -0.053079 0.038385 -0.061382 0.049032 0.050434 -0.047703 27O 2pz -0.070291 -0.059036 0.020757 -0.041698 -0.040562 -0.032282 27O 2px -0.013424 0.053484 -0.056953 0.058696 0.065955 -0.024782 27O 2py -0.044940 0.031866 -0.052042 0.042166 0.042913 -0.041180 27O 3pz -0.037917 -0.031381 0.014753 -0.019529 -0.017452 -0.016862 27O 3px -0.007966 0.029694 -0.033142 0.022556 0.037423 -0.011554 27O 3py -0.022789 0.022013 -0.026469 0.023005 0.015934 -0.024453 27O 1dz2 -0.000632 0.000375 -0.000666 0.000668 0.000752 -0.000393 27O 1dxz 0.001877 0.002024 -0.000829 0.001482 0.001425 0.000790 27O 1dyz -0.000243 0.000006 -0.000176 0.000105 0.000062 -0.000214 27O 1dx2y2 0.000450 -0.001501 0.001662 -0.001828 -0.001958 0.001100 27O 1dxy 0.001202 -0.000969 0.001579 -0.001156 -0.001148 0.001303 27O 2dz2 -0.002184 0.000010 -0.001241 0.000316 0.001351 -0.001549 27O 2dxz 0.005491 0.006752 -0.003385 0.005060 0.005404 0.002429 27O 2dyz -0.000645 0.000590 -0.000794 0.000425 0.000313 -0.001511 27O 2dx2y2 0.000901 -0.002871 0.003459 -0.002736 -0.004765 0.001455 27O 2dxy 0.003954 -0.004898 0.006582 -0.005974 -0.005727 0.004313 27O 1f0 0.000825 0.000836 -0.000421 0.000625 0.000711 0.000300 27O 1f+1 0.000103 -0.000361 0.000453 -0.000373 -0.000552 0.000180 27O 1f-1 0.000476 -0.000046 0.000303 -0.000197 -0.000191 0.000329 27O 1f+2 -0.000928 -0.000856 0.000377 -0.000647 -0.000684 -0.000497 27O 1f-2 0.000647 0.000351 -0.000046 0.000217 0.000257 0.000331 27O 1f+3 0.000625 -0.000934 0.001108 -0.001008 -0.001298 0.000811 27O 1f-3 0.000623 -0.000468 0.000721 -0.000633 -0.000606 0.000678 28O 1s 0.000239 0.006823 0.007903 -0.008024 0.007999 0.000390 28O 2s 0.000587 0.016348 0.018954 -0.019228 0.019232 0.000950 28O 3s -0.001074 -0.024398 -0.028565 0.028578 -0.029719 -0.001867 28O 4s -0.000593 -0.039905 -0.045186 0.046752 -0.041274 -0.000124 28O 5s -0.001779 -0.036353 -0.040195 0.051886 -0.063071 -0.004864 28O 1pz -0.051135 0.020774 -0.003709 -0.006058 0.004178 0.052627 28O 1px -0.029702 0.092093 0.088047 -0.093832 0.099111 0.023173 28O 1py 0.082739 0.017478 0.063712 -0.042420 0.037465 -0.093141 28O 2pz -0.042728 0.019922 -0.000844 -0.009017 0.006114 0.043332 28O 2px -0.024847 0.073501 0.069503 -0.073960 0.079349 0.020045 28O 2py 0.069213 0.014114 0.053773 -0.036093 0.031617 -0.078187 28O 3pz -0.023523 0.008693 -0.001301 -0.006387 -0.004630 0.022209 28O 3px -0.013366 0.040694 0.041905 -0.032017 0.041804 0.012351 28O 3py 0.036834 0.010970 0.026499 -0.018528 0.011499 -0.045494 28O 1dz2 0.000992 -0.001581 -0.001133 0.001338 -0.001341 -0.001234 28O 1dxz -0.000660 -0.000420 -0.000864 0.000867 -0.000972 0.000663 28O 1dyz -0.001029 -0.000253 -0.000942 0.000596 -0.000539 0.001500 28O 1dx2y2 -0.000682 0.001799 0.001631 -0.001860 0.001900 0.000255 28O 1dxy 0.001681 0.000390 0.001474 -0.000935 0.000790 -0.002033 28O 2dz2 0.002619 -0.005357 -0.004461 0.004967 -0.005145 -0.003095 28O 2dxz -0.002362 0.000689 -0.000830 -0.000369 -0.001371 0.002210 28O 2dyz -0.002820 -0.001291 -0.003159 0.002431 -0.002393 0.003352 28O 2dx2y2 -0.002360 0.005247 0.004706 -0.004543 0.005995 0.002019 28O 2dxy 0.005006 0.002398 0.005608 -0.004108 0.003641 -0.006404 28O 1f0 -0.000786 0.000786 0.000533 -0.000647 0.000821 0.000796 28O 1f+1 0.000823 -0.000680 -0.000378 0.000569 -0.000536 -0.000898 28O 1f-1 0.000144 0.000287 0.000359 -0.000344 0.000383 -0.000301 28O 1f+2 -0.000319 -0.000643 -0.000929 0.000763 -0.000992 0.000412 28O 1f-2 -0.001043 -0.000157 -0.000706 0.000496 -0.000423 0.001259 28O 1f+3 0.000092 -0.000755 -0.000732 0.000738 -0.000874 -0.000008 28O 1f-3 -0.000776 -0.000127 -0.000544 0.000348 -0.000297 0.000986 29O 1s 0.000001 -0.002002 0.000038 0.000216 -0.000115 0.000814 29O 2s 0.000007 -0.004821 0.000085 0.000642 -0.000275 0.001961 29O 3s -0.000068 0.007615 -0.000039 -0.002664 0.000422 -0.003041 29O 4s 0.000358 0.010175 -0.000710 0.007132 0.000595 -0.003989 29O 5s -0.001539 0.011336 0.001285 -0.024150 0.000907 -0.007590 29O 1pz -0.000067 0.003571 -0.020753 0.004181 -0.004066 -0.003897 29O 1px -0.000259 -0.007294 -0.006268 -0.008069 -0.002217 0.003115 29O 1py 0.000434 0.020661 0.000919 0.002628 0.001410 -0.008294 29O 2pz -0.000102 0.003189 -0.016958 0.004063 -0.003299 -0.003135 29O 2px -0.000266 -0.006891 -0.005019 -0.008334 -0.001817 0.002448 29O 2py 0.000453 0.016572 0.000757 0.002788 0.001158 -0.006871 29O 3pz -0.000135 0.001127 -0.007325 -0.001050 -0.004204 -0.001667 29O 3px -0.000146 -0.000918 -0.002555 0.005600 -0.001620 0.001013 29O 3py 0.000453 0.013397 -0.000292 0.003743 0.000697 -0.002259 29O 1dz2 0.000018 0.000019 0.000350 -0.000050 0.000039 0.000030 29O 1dxz 0.000011 -0.000076 -0.000359 -0.000040 -0.000045 -0.000001 29O 1dyz -0.000005 -0.000037 0.000455 -0.000070 0.000060 0.000064 29O 1dx2y2 0.000009 0.000175 -0.000133 0.000105 -0.000001 -0.000085 29O 1dxy -0.000004 0.000108 0.000194 0.000128 0.000043 -0.000045 29O 2dz2 0.000156 0.000513 0.000830 0.000032 0.000107 -0.000194 29O 2dxz 0.000023 -0.000008 -0.000849 0.000339 -0.000167 -0.000219 29O 2dyz -0.000059 -0.000193 0.001241 -0.000145 0.000041 0.000252 29O 2dx2y2 0.000159 0.000805 -0.000251 -0.000635 -0.000092 -0.000320 29O 2dxy 0.000057 0.000231 0.000509 0.000372 0.000045 -0.000011 29O 1f0 0.000032 0.000056 -0.000131 0.000115 -0.000042 -0.000013 29O 1f+1 -0.000029 -0.000014 -0.000170 -0.000050 -0.000036 -0.000019 29O 1f-1 -0.000004 0.000098 -0.000096 0.000088 -0.000030 -0.000017 29O 1f+2 -0.000009 -0.000022 0.000057 -0.000073 0.000008 0.000006 29O 1f-2 0.000026 0.000053 0.000178 0.000028 0.000067 0.000018 29O 1f+3 0.000023 -0.000094 -0.000064 -0.000089 -0.000029 0.000012 29O 1f-3 0.000008 -0.000095 -0.000069 -0.000073 -0.000040 0.000012 30O 1s -0.000378 -0.007335 0.007123 -0.007570 -0.008034 0.000153 30O 2s -0.000901 -0.017585 0.017082 -0.018140 -0.019310 0.000328 30O 3s 0.001320 0.026410 -0.025730 0.026995 0.029777 0.000461 30O 4s 0.001947 0.042441 -0.040767 0.044124 0.041770 -0.005286 30O 5s 0.002383 0.033620 -0.037240 0.045493 0.062618 0.003744 30O 1pz -0.081700 -0.016216 -0.025121 0.003338 0.011024 -0.055683 30O 1px -0.019274 -0.103787 0.088837 -0.099232 -0.105811 0.017849 30O 1py -0.056635 0.008157 -0.033157 0.021271 0.017605 -0.039123 30O 2pz -0.068238 -0.016082 -0.019496 0.000266 0.007034 -0.045116 30O 2px -0.015927 -0.083188 0.070696 -0.079392 -0.085143 0.013520 30O 2py -0.047408 0.008498 -0.030045 0.020610 0.016907 -0.034510 30O 3pz -0.036580 -0.002826 -0.009402 -0.004299 0.008647 -0.024148 30O 3px -0.008750 -0.049589 0.041300 -0.036257 -0.043133 0.006322 30O 3py -0.025374 0.003074 -0.012722 0.013936 0.002111 -0.020713 30O 1dz2 0.001414 0.001393 -0.000486 0.001002 0.000962 0.000819 30O 1dxz -0.001423 0.000498 -0.001291 0.001003 0.001181 -0.001277 30O 1dyz -0.000116 -0.000564 0.000387 -0.000422 -0.000315 -0.000006 30O 1dx2y2 0.000123 -0.002143 0.002100 -0.002195 -0.002225 0.001054 30O 1dxy -0.001346 -0.000688 -0.000040 -0.000449 -0.000595 -0.000629 30O 2dz2 0.003746 0.004130 -0.001805 0.002867 0.003103 0.001770 30O 2dxz -0.004541 0.000496 -0.002831 0.001178 0.002822 -0.003346 30O 2dyz -0.000348 -0.002360 0.002054 -0.002573 -0.002036 -0.000232 30O 2dx2y2 0.000061 -0.007329 0.006862 -0.006970 -0.007849 0.002254 30O 2dxy -0.003795 -0.000205 -0.001810 0.001099 -0.000150 -0.003192 30O 1f0 -0.000215 -0.000351 0.000280 -0.000285 -0.000395 -0.000115 30O 1f+1 0.001024 0.000647 -0.000147 0.000420 0.000386 0.000587 30O 1f-1 0.001128 0.000504 0.000047 0.000276 0.000233 0.000657 30O 1f+2 -0.000425 0.000838 -0.001004 0.000939 0.001110 -0.000660 30O 1f-2 -0.000049 0.000137 -0.000124 0.000049 0.000262 -0.000127 30O 1f+3 -0.000483 0.000663 -0.000776 0.000759 0.000785 -0.000581 30O 1f-3 0.000326 0.000870 -0.000631 0.000756 0.000946 -0.000013 31O 1s -0.000421 0.007361 -0.006846 -0.007802 -0.008042 -0.000235 31O 2s -0.001004 0.017647 -0.016419 -0.018698 -0.019332 -0.000526 31O 3s 0.001479 -0.026497 0.024746 0.027838 0.029819 -0.000156 31O 4s 0.002176 -0.042604 0.039132 0.045444 0.041782 0.005715 31O 5s 0.002742 -0.033934 0.035674 0.046728 0.062667 -0.003182 31O 1pz 0.081304 -0.016210 -0.025734 -0.004587 -0.010116 -0.055232 31O 1px 0.019696 -0.104046 0.084958 0.102089 0.105911 0.018855 31O 1py 0.056271 0.008114 -0.032659 -0.022651 -0.017063 -0.038830 31O 2pz 0.067923 -0.016099 -0.020105 -0.001268 -0.006284 -0.044732 31O 2px 0.016247 -0.083378 0.067591 0.081664 0.085234 0.014341 31O 2py 0.047076 0.008489 -0.029522 -0.021850 -0.016439 -0.034266 31O 3pz 0.036405 -0.002916 -0.009883 0.003846 -0.008224 -0.023948 31O 3px 0.008944 -0.049593 0.039830 0.037606 0.043216 0.006741 31O 3py 0.025250 0.003079 -0.012301 -0.014404 -0.001807 -0.020541 31O 1dz2 0.001411 -0.001396 0.000436 0.001009 0.000979 -0.000800 31O 1dxz -0.001412 -0.000502 0.001267 0.001054 0.001164 0.001277 31O 1dyz -0.000116 0.000563 -0.000368 -0.000434 -0.000319 0.000002 31O 1dx2y2 0.000112 0.002148 -0.002017 -0.002266 -0.002218 -0.001069 31O 1dxy -0.001341 0.000690 0.000065 -0.000440 -0.000606 0.000614 31O 2dz2 0.003747 -0.004136 0.001664 0.002904 0.003145 -0.001715 31O 2dxz -0.004509 -0.000493 0.002832 0.001302 0.002775 0.003339 31O 2dyz -0.000356 0.002373 -0.001954 -0.002637 -0.002045 0.000206 31O 2dx2y2 0.000021 0.007339 -0.006595 -0.007194 -0.007835 -0.002309 31O 2dxy -0.003766 0.000194 0.001791 0.001183 -0.000193 0.003155 31O 1f0 0.000216 -0.000352 0.000268 0.000293 0.000398 -0.000109 31O 1f+1 -0.001021 0.000649 -0.000122 -0.000420 -0.000398 0.000575 31O 1f-1 -0.001124 0.000505 0.000067 -0.000269 -0.000245 0.000647 31O 1f+2 0.000419 0.000838 -0.000971 -0.000975 -0.001103 -0.000666 31O 1f-2 0.000048 0.000137 -0.000124 -0.000054 -0.000261 -0.000128 31O 1f+3 0.000476 0.000664 -0.000750 -0.000787 -0.000778 -0.000583 31O 1f-3 -0.000328 0.000870 -0.000599 -0.000775 -0.000948 -0.000023 32O 1s 0.000001 0.001997 -0.000091 0.000223 -0.000115 -0.000822 32O 2s 0.000008 0.004810 -0.000218 0.000661 -0.000278 -0.001981 32O 3s -0.000071 -0.007581 0.000316 -0.002699 0.000429 0.003071 32O 4s 0.000352 -0.010223 0.000645 0.007125 0.000577 0.004035 32O 5s -0.001551 -0.011168 -0.000016 -0.024274 0.001046 0.007628 32O 1pz 0.000100 0.002621 -0.020697 -0.004906 0.004147 -0.003500 32O 1px 0.000269 -0.007719 -0.006287 0.007807 0.002193 0.003291 32O 1py -0.000420 0.020699 0.000031 -0.002541 -0.001280 -0.008432 32O 2pz 0.000141 0.002418 -0.016893 -0.004633 0.003368 -0.002815 32O 2px 0.000280 -0.007245 -0.005090 0.008125 0.001799 0.002591 32O 2py -0.000442 0.016603 0.000075 -0.002717 -0.001046 -0.006985 32O 3pz 0.000254 0.000672 -0.007379 0.000832 0.004224 -0.001449 32O 3px 0.000186 -0.001051 -0.002230 -0.005699 0.001547 0.001086 32O 3py -0.000456 0.013416 -0.000633 -0.003713 -0.000526 -0.002319 32O 1dz2 0.000017 -0.000027 -0.000327 -0.000061 0.000038 -0.000024 32O 1dxz 0.000012 0.000086 0.000369 -0.000027 -0.000047 -0.000003 32O 1dyz -0.000006 0.000021 -0.000461 -0.000088 0.000062 -0.000059 32O 1dx2y2 0.000009 -0.000172 0.000144 0.000110 -0.000003 0.000085 32O 1dxy -0.000004 -0.000116 -0.000183 0.000121 0.000042 0.000049 32O 2dz2 0.000158 -0.000541 -0.000761 0.000007 0.000092 0.000215 32O 2dxz 0.000018 0.000031 0.000864 0.000365 -0.000173 0.000211 32O 2dyz -0.000045 0.000127 -0.001258 -0.000201 0.000050 -0.000223 32O 2dx2y2 0.000157 -0.000792 0.000327 -0.000632 -0.000108 0.000324 32O 2dxy 0.000061 -0.000257 -0.000490 0.000349 0.000034 0.000028 32O 1f0 -0.000031 0.000048 -0.000124 -0.000114 0.000043 -0.000011 32O 1f+1 0.000031 -0.000021 -0.000175 0.000046 0.000036 -0.000018 32O 1f-1 0.000004 0.000098 -0.000098 -0.000094 0.000032 -0.000017 32O 1f+2 0.000008 -0.000027 0.000056 0.000079 -0.000008 0.000006 32O 1f-2 -0.000026 0.000057 0.000176 -0.000019 -0.000066 0.000015 32O 1f+3 -0.000023 -0.000093 -0.000059 0.000085 0.000028 0.000013 32O 1f-3 -0.000008 -0.000097 -0.000072 0.000069 0.000041 0.000014 33O 1s 0.000188 -0.006722 -0.007547 -0.008391 0.008062 -0.000303 33O 2s 0.000464 -0.016106 -0.018100 -0.020108 0.019382 -0.000742 33O 3s -0.000880 0.024032 0.027287 0.029903 -0.029949 0.001561 33O 4s -0.000340 0.039345 0.043157 0.048854 -0.041610 -0.000392 33O 5s -0.001422 0.035800 0.037787 0.053762 -0.063455 0.004215 33O 1pz 0.051105 0.020867 -0.004288 0.006077 -0.004733 0.052650 33O 1px 0.030060 0.090911 0.083709 0.097961 -0.099894 0.021878 33O 1py -0.081784 0.017189 0.062335 0.044919 -0.036869 -0.093215 33O 2pz 0.042704 0.019958 -0.001508 0.009127 -0.006575 0.043292 33O 2px 0.025111 0.072549 0.066076 0.077222 -0.079978 0.019005 33O 2py -0.068418 0.013878 0.052604 0.038209 -0.031122 -0.078266 33O 3pz 0.023532 0.008800 -0.001657 0.006402 0.004327 0.022345 33O 3px 0.013536 0.040186 0.040367 0.033975 -0.042162 0.011812 33O 3py -0.036348 0.010882 0.025902 0.019569 -0.011206 -0.045355 33O 1dz2 0.000996 0.001567 0.001067 0.001394 -0.001361 0.001216 33O 1dxz -0.000659 0.000404 0.000828 0.000902 -0.000967 -0.000679 33O 1dyz -0.001013 0.000250 0.000921 0.000633 -0.000529 -0.001498 33O 1dx2y2 -0.000687 -0.001778 -0.001547 -0.001939 0.001915 -0.000229 33O 1dxy 0.001664 -0.000382 -0.001443 -0.000992 0.000776 0.002039 33O 2dz2 0.002638 0.005297 0.004220 0.005178 -0.005200 0.003023 33O 2dxz -0.002367 -0.000711 0.000855 -0.000345 -0.001346 -0.002234 33O 2dyz -0.002775 0.001272 0.003070 0.002568 -0.002385 -0.003361 33O 2dx2y2 -0.002367 -0.005182 -0.004493 -0.004772 0.006050 -0.001931 33O 2dxy 0.004942 -0.002361 -0.005454 -0.004336 0.003606 0.006431 33O 1f0 0.000785 0.000775 0.000497 0.000671 -0.000829 0.000784 33O 1f+1 -0.000824 -0.000676 -0.000348 -0.000590 0.000548 -0.000890 33O 1f-1 -0.000135 0.000285 0.000344 0.000360 -0.000383 -0.000299 33O 1f+2 0.000316 -0.000632 -0.000897 -0.000803 0.000993 0.000427 33O 1f-2 0.001030 -0.000153 -0.000689 -0.000522 0.000413 0.001259 33O 1f+3 -0.000095 -0.000747 -0.000701 -0.000775 0.000881 0.000005 33O 1f-3 0.000770 -0.000124 -0.000533 -0.000369 0.000290 0.000988 34O 1s -0.000024 0.007510 -0.006951 -0.008486 -0.008315 -0.000231 34O 2s -0.000072 0.017997 -0.016654 -0.020324 -0.019975 -0.000504 34O 3s 0.000367 -0.026946 0.024927 0.030121 0.030682 -0.000304 34O 4s -0.001188 -0.043109 0.040175 0.049193 0.043339 0.005999 34O 5s 0.000620 -0.042575 0.035867 0.057165 0.065952 -0.002404 34O 1pz 0.083691 -0.071384 0.023977 0.050904 0.050075 -0.037255 34O 1px 0.016433 0.069710 -0.070540 -0.080075 -0.084280 -0.033033 34O 1py 0.052577 0.038519 -0.059984 -0.051296 -0.049780 -0.047761 34O 2pz 0.070169 -0.059208 0.018675 0.042041 0.041299 -0.031425 34O 2px 0.013157 0.053460 -0.054734 -0.060625 -0.065758 -0.025222 34O 2py 0.044504 0.031990 -0.050834 -0.044096 -0.042354 -0.041220 34O 3pz 0.037836 -0.031478 0.013774 0.019906 0.017879 -0.016377 34O 3px 0.007793 0.029556 -0.032248 -0.023633 -0.037272 -0.011765 34O 3py 0.022608 0.022090 -0.025792 -0.023939 -0.015636 -0.024448 34O 1dz2 -0.000629 -0.000373 0.000643 0.000692 0.000747 0.000396 34O 1dxz 0.001873 -0.002030 0.000760 0.001500 0.001446 -0.000762 34O 1dyz -0.000241 -0.000006 0.000174 0.000113 0.000058 0.000212 34O 1dx2y2 0.000441 0.001502 -0.001594 -0.001886 -0.001948 -0.001111 34O 1dxy 0.001190 0.000973 -0.001546 -0.001215 -0.001131 -0.001304 34O 2dz2 -0.002177 0.000001 0.001242 0.000366 0.001325 0.001549 34O 2dxz 0.005492 -0.006765 0.003149 0.005142 0.005466 -0.002342 34O 2dyz -0.000636 -0.000595 0.000787 0.000458 0.000299 0.001504 34O 2dx2y2 0.000890 0.002855 -0.003355 -0.002852 -0.004749 -0.001484 34O 2dxy 0.003902 0.004917 -0.006388 -0.006216 -0.005678 -0.004328 34O 1f0 -0.000823 0.000837 -0.000392 -0.000635 -0.000719 0.000287 34O 1f+1 -0.000102 -0.000358 0.000438 0.000387 0.000549 0.000184 34O 1f-1 -0.000472 -0.000047 0.000299 0.000210 0.000186 0.000327 34O 1f+2 0.000927 -0.000859 0.000346 0.000656 0.000695 -0.000484 34O 1f-2 -0.000646 0.000352 -0.000033 -0.000216 -0.000264 0.000324 34O 1f+3 -0.000619 -0.000935 0.001076 0.001048 0.001289 0.000817 34O 1f-3 -0.000617 -0.000471 0.000703 0.000660 0.000597 0.000678 35O 1s -0.000145 -0.006732 -0.007545 -0.008215 0.008102 -0.000290 35O 2s -0.000335 -0.016152 -0.018103 -0.019697 0.019480 -0.000706 35O 3s 0.000300 0.024442 0.027379 0.029478 -0.030151 0.001374 35O 4s 0.001785 0.038217 0.042667 0.047116 -0.041678 0.000496 35O 5s -0.000332 0.031809 0.040885 0.049379 -0.062414 0.002698 35O 1pz 0.048791 0.070001 0.050591 0.066205 -0.064287 0.045547 35O 1px 0.029381 -0.064824 -0.088011 -0.086204 0.087909 0.042617 35O 1py -0.083010 -0.011241 0.030491 0.011297 -0.002600 -0.088597 35O 2pz 0.041052 0.058800 0.041751 0.055670 -0.053902 0.038265 35O 2px 0.025058 -0.050179 -0.069420 -0.067283 0.069528 0.035362 35O 2py -0.069555 -0.008612 0.027613 0.011531 -0.003779 -0.075056 35O 3pz 0.021007 0.030159 0.025741 0.031661 -0.022130 0.018856 35O 3px 0.012977 -0.033573 -0.038696 -0.027652 0.038863 0.017805 35O 3py -0.037077 -0.003497 0.012125 0.009464 0.002767 -0.043875 35O 1dz2 -0.000238 0.000625 0.000822 0.000897 -0.000954 -0.000091 35O 1dxz 0.001048 0.001830 0.001327 0.001678 -0.001576 0.001081 35O 1dyz 0.000505 0.000714 0.000486 0.000622 -0.000616 0.000232 35O 1dx2y2 0.001262 -0.001175 -0.002137 -0.001960 0.001868 0.001972 35O 1dxy -0.001678 -0.000528 0.000393 -0.000177 0.000403 -0.001793 35O 2dz2 -0.001000 0.000865 0.001447 0.001062 -0.002206 -0.000730 35O 2dxz 0.002919 0.006918 0.005887 0.006933 -0.006740 0.002730 35O 2dyz 0.001897 0.002145 0.001311 0.002051 -0.002242 0.002068 35O 2dx2y2 0.003477 -0.003390 -0.005700 -0.004638 0.005561 0.004909 35O 2dxy -0.004961 -0.000326 0.002632 0.001683 -0.000136 -0.005844 35O 1f0 -0.000202 -0.000568 -0.000565 -0.000649 0.000640 -0.000233 35O 1f+1 0.000158 0.000662 0.000697 0.000737 -0.000894 0.000086 35O 1f-1 0.000469 0.000283 0.000095 0.000176 -0.000294 0.000470 35O 1f+2 0.000747 0.000639 0.000333 0.000536 -0.000540 0.000777 35O 1f-2 0.000353 0.000661 0.000491 0.000670 -0.000680 0.000277 35O 1f+3 -0.001249 0.000519 0.001166 0.000926 -0.000942 -0.001610 35O 1f-3 0.000432 0.000498 0.000284 0.000367 -0.000593 0.000476 84 85 86 87 88 89 -0.44221 -0.43462 -0.41026 -0.40674 -0.38758 -0.38692 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s 0.000004 -0.000061 -0.002071 0.001078 -0.000907 -0.000046 0Rh 2s -0.000015 0.000249 0.007932 -0.003899 0.003436 0.000170 0Rh 3s 0.000013 -0.000198 -0.007058 0.003816 -0.003116 -0.000160 0Rh 4s 0.000064 -0.001059 -0.033598 0.016381 -0.014556 -0.000716 0Rh 5s -0.000042 0.000945 0.025862 -0.010685 0.011163 0.000518 0Rh 6s -0.000136 0.001155 0.051699 -0.032285 0.022828 0.001235 0Rh 7s 0.000719 -0.000267 -0.056782 0.046061 -0.026755 -0.001827 0Rh 8s -0.000400 0.000587 -0.024197 0.050104 -0.025762 0.000816 0Rh 1pz -0.001638 -0.000054 -0.000939 0.002004 -0.000093 0.000068 0Rh 1px -0.000495 0.000120 0.002850 -0.006350 0.001014 0.000035 0Rh 1py -0.000322 0.000010 0.000398 -0.001826 0.000051 0.000165 0Rh 2pz 0.005518 0.000183 0.003169 -0.006778 0.000304 -0.000230 0Rh 2px 0.001667 -0.000405 -0.009604 0.021475 -0.003396 -0.000118 0Rh 2py 0.001087 -0.000034 -0.001318 0.006142 -0.000168 -0.000559 0Rh 3pz -0.004150 -0.000137 -0.002408 0.005484 -0.000034 0.000173 0Rh 3px -0.001240 0.000301 0.007158 -0.017265 0.002130 0.000069 0Rh 3py -0.000848 0.000035 0.000568 -0.004369 0.000028 0.000475 0Rh 4pz -0.007691 -0.000264 -0.004545 0.008522 -0.001082 0.000340 0Rh 4px -0.002370 0.000595 0.014217 -0.027330 0.006319 0.000234 0Rh 4py -0.001440 0.000017 0.003367 -0.009748 0.000581 0.000617 0Rh 5pz -0.000087 0.000033 0.000696 -0.000073 0.000824 -0.000128 0Rh 5px 0.000062 -0.000147 -0.002813 0.000708 -0.002349 -0.000061 0Rh 5py 0.000039 0.000077 -0.002699 0.002948 -0.000558 0.000187 0Rh 6pz 0.016364 -0.000230 0.008497 -0.001299 0.002518 0.001618 0Rh 6px 0.004390 0.000843 -0.020843 0.000146 -0.002602 -0.001878 0Rh 6py -0.000169 -0.002349 0.011536 -0.006691 0.001297 0.000695 0Rh 1dz2 0.001370 0.000205 -0.013502 0.007861 0.002873 0.005051 0Rh 1dxz -0.002505 0.000292 -0.017050 0.009843 0.004130 -0.000759 0Rh 1dyz -0.000091 -0.000079 -0.005380 0.003591 0.000419 0.014316 0Rh 1dx2y2 -0.000727 -0.000515 0.024920 -0.014594 -0.005768 0.001386 0Rh 1dxy -0.001023 -0.000210 0.017136 -0.011293 -0.003957 0.005397 0Rh 2dz2 -0.000043 -0.000006 0.000343 -0.000156 -0.000053 -0.000078 0Rh 2dxz 0.000085 -0.000010 0.000419 -0.000160 -0.000083 0.000013 0Rh 2dyz 0.000006 0.000001 0.000139 -0.000091 -0.000008 -0.000273 0Rh 2dx2y2 0.000028 0.000017 -0.000575 0.000201 0.000096 -0.000023 0Rh 2dxy 0.000036 0.000005 -0.000455 0.000299 0.000093 -0.000106 0Rh 3dz2 -0.001924 -0.000286 0.019264 -0.011376 -0.004176 -0.007381 0Rh 3dxz 0.003500 -0.000405 0.024416 -0.014395 -0.005984 0.001115 0Rh 3dyz 0.000116 0.000115 0.007705 -0.005155 -0.000617 -0.020778 0Rh 3dx2y2 0.001000 0.000711 -0.035724 0.021422 0.008398 -0.002017 0Rh 3dxy 0.001427 0.000298 -0.024517 0.016170 0.005709 -0.007822 0Rh 4dz2 -0.002732 -0.000418 0.026376 -0.014741 -0.005439 -0.009563 0Rh 4dxz 0.005057 -0.000606 0.033122 -0.018082 -0.007904 0.001433 0Rh 4dyz 0.000214 0.000152 0.010464 -0.006919 -0.000762 -0.027519 0Rh 4dx2y2 0.001508 0.001073 -0.048271 0.026581 0.010900 -0.002647 0Rh 4dxy 0.002094 0.000409 -0.033404 0.021882 0.007667 -0.010426 0Rh 5dz2 -0.002456 -0.000162 0.019061 -0.015552 -0.005588 -0.008891 0Rh 5dxz 0.004169 -0.000226 0.024098 -0.020522 -0.007492 0.001149 0Rh 5dyz 0.000204 0.000118 0.007915 -0.006062 -0.000993 -0.023465 0Rh 5dx2y2 0.001123 0.000381 -0.035610 0.031061 0.011127 -0.002229 0Rh 5dxy 0.001322 0.000270 -0.025029 0.018704 0.006434 -0.008524 0Rh 1f0 0.001562 0.000001 -0.000200 0.000972 0.000569 0.000353 0Rh 1f+1 0.001345 0.000006 0.000594 -0.000970 -0.000530 -0.000527 0Rh 1f-1 -0.002091 -0.000046 0.000730 -0.000416 -0.000204 0.000481 0Rh 1f+2 0.001182 -0.000028 0.000615 -0.001205 -0.000692 0.000309 0Rh 1f-2 -0.000508 0.000000 0.001211 -0.001122 -0.000321 -0.001163 0Rh 1f+3 -0.000742 -0.000027 0.000212 -0.001193 -0.000889 0.000102 0Rh 1f-3 0.000612 -0.000016 0.001627 -0.001904 -0.000717 0.000570 1Rh 1s -0.000007 -0.000061 -0.002065 -0.001098 0.000904 0.000028 1Rh 2s 0.000025 0.000248 0.007912 0.003977 -0.003424 -0.000100 1Rh 3s -0.000023 -0.000198 -0.007037 -0.003885 0.003104 0.000098 1Rh 4s -0.000106 -0.001059 -0.033517 -0.016711 0.014503 0.000422 1Rh 5s 0.000072 0.000944 0.025824 0.010944 -0.011123 -0.000293 1Rh 6s 0.000212 0.001155 0.051509 0.032786 -0.022744 -0.000777 1Rh 7s -0.000841 -0.000252 -0.056629 -0.046674 0.026662 0.001295 1Rh 8s 0.000547 0.000523 -0.023817 -0.050270 0.025841 -0.000720 1Rh 1pz -0.001638 0.000050 0.000942 0.002010 -0.000006 0.000144 1Rh 1px -0.000489 -0.000119 -0.002804 -0.006364 0.001043 0.000013 1Rh 1py -0.000325 -0.000031 -0.000388 -0.001830 0.000061 0.000305 1Rh 2pz 0.005521 -0.000167 -0.003177 -0.006801 0.000007 -0.000486 1Rh 2px 0.001647 0.000401 0.009449 0.021521 -0.003493 -0.000041 1Rh 2py 0.001096 0.000105 0.001285 0.006156 -0.000199 -0.001032 1Rh 3pz -0.004153 0.000122 0.002400 0.005492 0.000205 0.000379 1Rh 3px -0.001224 -0.000299 -0.007035 -0.017300 0.002210 0.000012 1Rh 3py -0.000856 -0.000088 -0.000543 -0.004375 0.000052 0.000857 1Rh 4pz -0.007691 0.000250 0.004603 0.008587 -0.000697 0.000673 1Rh 4px -0.002342 -0.000588 -0.014009 -0.027398 0.006443 0.000118 1Rh 4py -0.001450 -0.000118 -0.003313 -0.009783 0.000627 0.001225 1Rh 5pz -0.000092 -0.000036 -0.000762 -0.000132 0.000791 -0.000160 1Rh 5px 0.000059 0.000147 0.002790 0.000726 -0.002351 -0.000024 1Rh 5py 0.000035 -0.000067 0.002678 0.002976 -0.000570 0.000144 1Rh 6pz 0.016383 0.000079 -0.008216 -0.001006 0.002116 0.001271 1Rh 6px 0.004352 -0.000913 0.020828 0.000414 -0.002766 -0.001883 1Rh 6py -0.000132 0.002445 -0.011485 -0.006845 0.001271 0.000103 1Rh 1dz2 -0.001424 0.000203 -0.013436 -0.007930 -0.002796 -0.005098 1Rh 1dxz 0.002479 0.000305 -0.017154 -0.010233 -0.004496 0.000310 1Rh 1dyz 0.000184 -0.000087 -0.005398 -0.003690 -0.000459 -0.014305 1Rh 1dx2y2 0.000644 -0.000505 0.024870 0.014842 0.005727 -0.001008 1Rh 1dxy 0.001017 -0.000204 0.017109 0.011499 0.003931 -0.005760 1Rh 2dz2 0.000044 -0.000006 0.000341 0.000158 0.000050 0.000079 1Rh 2dxz -0.000085 -0.000010 0.000423 0.000170 0.000093 -0.000000 1Rh 2dyz -0.000008 0.000001 0.000141 0.000094 0.000010 0.000273 1Rh 2dx2y2 -0.000026 0.000017 -0.000574 -0.000207 -0.000095 0.000013 1Rh 2dxy -0.000036 0.000004 -0.000454 -0.000303 -0.000092 0.000117 1Rh 3dz2 0.002004 -0.000284 0.019172 0.011474 0.004066 0.007448 1Rh 3dxz -0.003461 -0.000422 0.024562 0.014957 0.006511 -0.000470 1Rh 3dyz -0.000248 0.000126 0.007726 0.005294 0.000673 0.020761 1Rh 3dx2y2 -0.000879 0.000697 -0.035654 -0.021780 -0.008340 0.001478 1Rh 3dxy -0.001417 0.000291 -0.024482 -0.016469 -0.005672 0.008343 1Rh 4dz2 0.002832 -0.000417 0.026258 0.014886 0.005289 0.009658 1Rh 4dxz -0.005009 -0.000632 0.033354 0.018846 0.008619 -0.000554 1Rh 4dyz -0.000402 0.000166 0.010515 0.007124 0.000848 0.027503 1Rh 4dx2y2 -0.001348 0.001057 -0.048199 -0.027071 -0.010822 0.001904 1Rh 4dxy -0.002087 0.000396 -0.033348 -0.022273 -0.007615 0.011145 1Rh 5dz2 0.002560 -0.000158 0.018921 0.015607 0.005452 0.008921 1Rh 5dxz -0.004128 -0.000228 0.024147 0.021077 0.008025 -0.000513 1Rh 5dyz -0.000309 0.000142 0.007901 0.006168 0.001025 0.023406 1Rh 5dx2y2 -0.000981 0.000364 -0.035431 -0.031380 -0.011041 0.001724 1Rh 5dxy -0.001292 0.000263 -0.024984 -0.019035 -0.006395 0.009056 1Rh 1f0 0.001566 -0.000017 0.000199 0.000975 0.000574 0.000338 1Rh 1f+1 0.001345 -0.000011 -0.000568 -0.000949 -0.000534 -0.000537 1Rh 1f-1 -0.002082 0.000049 -0.000723 -0.000409 -0.000221 0.000432 1Rh 1f+2 0.001186 0.000011 -0.000621 -0.001234 -0.000668 0.000317 1Rh 1f-2 -0.000514 -0.000003 -0.001211 -0.001142 -0.000320 -0.001195 1Rh 1f+3 -0.000746 0.000030 -0.000191 -0.001171 -0.000899 0.000106 1Rh 1f-3 0.000617 0.000022 -0.001615 -0.001919 -0.000717 0.000552 2C 1s -0.002614 -0.000400 -0.000040 0.000118 0.000422 0.000458 2C 2s -0.005590 -0.000859 -0.000090 0.000234 0.000913 0.000991 2C 3s 0.010196 0.001627 0.000321 -0.000743 -0.001288 -0.001230 2C 4s 0.004273 0.001243 -0.000203 0.002231 -0.003600 -0.004895 2C 5s 0.010456 0.000981 -0.003362 -0.003458 -0.011818 -0.012077 2C 1pz -0.002580 0.049707 -0.005946 0.001359 0.049995 0.053971 2C 1px 0.012466 0.032275 0.017103 0.016001 -0.136866 -0.153724 2C 1py -0.078591 -0.092230 0.003770 0.002567 -0.023398 -0.024612 2C 2pz -0.005820 0.038933 -0.005341 0.003660 0.037737 0.040425 2C 2px 0.009025 0.025013 0.013233 0.012129 -0.107304 -0.120996 2C 2py -0.064595 -0.072908 0.002414 0.003259 -0.018996 -0.020477 2C 3pz -0.000242 0.018039 -0.000897 -0.002277 0.014720 0.015415 2C 3px 0.002930 0.011399 0.002756 0.008690 -0.048957 -0.054660 2C 3py -0.025369 -0.030510 0.001859 0.002189 -0.010401 -0.011139 2C 1dz2 -0.000852 0.000565 -0.000057 0.000237 -0.000496 -0.000590 2C 1dxz -0.001885 -0.002203 -0.000320 -0.000387 0.004303 0.004898 2C 1dyz -0.002490 -0.000609 0.000328 0.000554 -0.002834 -0.003223 2C 1dx2y2 0.000666 -0.000110 0.000595 0.000334 -0.004724 -0.005245 2C 1dxy 0.001653 0.003398 -0.000149 -0.000003 0.002255 0.002461 2C 2dz2 0.000011 0.003005 0.000023 0.000556 -0.001835 -0.002086 2C 2dxz -0.000697 0.000226 -0.000433 0.000414 0.003991 0.004449 2C 2dyz -0.005281 -0.002462 0.000118 0.001100 -0.002200 -0.002777 2C 2dx2y2 0.002314 0.001667 0.000243 -0.000306 -0.002209 -0.002487 2C 2dxy 0.000682 0.002296 -0.000364 0.000405 0.002573 0.002770 2C 1f0 0.000530 0.000763 -0.000026 0.000033 -0.000564 -0.000647 2C 1f+1 0.000193 0.000610 0.000086 0.000082 0.000032 0.000033 2C 1f-1 -0.000457 0.000058 -0.000099 0.000132 0.000141 0.000127 2C 1f+2 0.000769 0.000850 -0.000018 -0.000050 0.000415 0.000487 2C 1f-2 -0.000007 -0.000003 0.000045 0.000053 0.000393 0.000451 2C 1f+3 -0.000470 -0.000286 0.000011 0.000047 0.000034 0.000040 2C 1f-3 -0.000357 -0.000280 0.000037 0.000030 -0.000445 -0.000514 3C 1s -0.000699 -0.000616 0.000104 -0.000271 0.000340 -0.000319 3C 2s -0.001488 -0.001320 0.000214 -0.000567 0.000744 -0.000692 3C 3s 0.003386 0.001857 -0.000043 0.001328 -0.001019 0.000976 3C 4s -0.003336 0.004626 -0.001264 -0.001933 -0.002364 0.001948 3C 5s -0.001038 0.008118 0.003468 0.013941 -0.011621 0.008962 3C 1pz 0.086723 -0.094573 0.007579 -0.010051 0.051598 -0.045996 3C 1px 0.013217 -0.020417 -0.021244 0.010511 -0.149468 0.138346 3C 1py 0.077016 -0.054366 -0.005990 0.007596 -0.029986 0.029596 3C 2pz 0.066727 -0.073863 0.005822 -0.009075 0.040388 -0.036593 3C 2px 0.009683 -0.016254 -0.016723 0.006390 -0.117419 0.108767 3C 2py 0.064353 -0.043810 -0.004488 0.008622 -0.023268 0.023494 3C 3pz 0.028264 -0.030860 0.003536 -0.002990 0.016706 -0.014970 3C 3px 0.002437 -0.005518 -0.004236 0.009782 -0.055424 0.051154 3C 3py 0.027945 -0.021125 -0.002283 0.000746 -0.008754 0.009062 3C 1dz2 0.003360 -0.002799 -0.000069 0.000077 -0.000933 0.000918 3C 1dxz -0.000988 0.000697 0.000860 -0.000644 0.006833 -0.006393 3C 1dyz 0.002415 -0.001489 0.000353 0.000002 0.003782 -0.003417 3C 1dx2y2 -0.001082 0.002040 -0.000165 0.000303 -0.000037 -0.000032 3C 1dxy -0.001149 0.001831 0.000071 0.000331 -0.001144 0.001068 3C 2dz2 0.005507 -0.004117 -0.000125 0.000435 -0.001766 0.001569 3C 2dxz 0.000212 -0.000656 0.000592 -0.000421 0.005796 -0.005534 3C 2dyz 0.001103 0.000820 0.000378 0.001448 0.003610 -0.003013 3C 2dx2y2 0.002577 -0.000960 -0.000064 0.000935 0.000645 -0.000517 3C 2dxy 0.000209 0.000910 -0.000359 0.000609 -0.002636 0.002457 3C 1f0 0.000035 0.000198 0.000026 0.000146 -0.000136 0.000134 3C 1f+1 0.000422 -0.000358 -0.000063 0.000013 -0.000617 0.000563 3C 1f-1 -0.001098 0.000988 -0.000054 0.000084 0.000063 -0.000029 3C 1f+2 0.000151 -0.000067 -0.000059 0.000058 0.000130 -0.000125 3C 1f-2 -0.000379 0.000431 0.000138 0.000056 0.000152 -0.000114 3C 1f+3 -0.000781 0.000460 -0.000011 -0.000120 0.000526 -0.000517 3C 1f-3 0.000839 -0.000559 -0.000028 0.000081 0.000841 -0.000794 4C 1s 0.002175 0.000107 0.000382 0.001280 0.000274 0.000084 4C 2s 0.004856 0.000258 0.000844 0.002771 0.000596 0.000188 4C 3s -0.011016 -0.000987 -0.003152 -0.004978 -0.000311 0.000147 4C 4s 0.005188 0.001525 0.009345 -0.006034 -0.005149 -0.002317 4C 5s -0.014830 -0.005809 0.016583 -0.002994 0.010350 0.011824 4C 1pz 0.080395 0.058420 -0.003118 -0.008420 -0.014838 -0.015337 4C 1px 0.032854 0.035200 0.004340 -0.001639 0.034377 0.038883 4C 1py -0.037731 -0.090631 0.000165 -0.007157 0.004132 0.005800 4C 2pz 0.059523 0.048880 -0.000182 -0.001761 -0.010336 -0.009361 4C 2px 0.026461 0.029679 0.003395 -0.003138 0.015951 0.014199 4C 2py -0.037289 -0.078002 0.001641 -0.003891 -0.000051 0.000028 4C 3pz 0.008517 0.010837 0.002337 -0.000682 -0.008536 -0.008394 4C 3px 0.005055 0.004440 0.006574 -0.013592 0.005017 0.003114 4C 3py -0.010450 -0.013019 0.003732 -0.008778 -0.003429 -0.003894 4C 1dz2 0.000257 0.000456 0.000287 0.000318 -0.003372 -0.003552 4C 1dxz -0.000274 0.000053 -0.000705 -0.000882 0.006055 0.006491 4C 1dyz -0.000399 -0.000259 0.000004 0.000047 -0.000232 -0.000309 4C 1dx2y2 0.001268 0.000430 0.000172 -0.000056 0.000082 0.000079 4C 1dxy 0.000453 0.000200 -0.000639 -0.000524 0.004433 0.004844 4C 2dz2 0.002123 -0.000444 0.000620 0.000487 -0.003882 -0.003052 4C 2dxz 0.000201 -0.000674 -0.003250 -0.003962 0.008680 0.008408 4C 2dyz 0.003278 0.000512 0.000274 -0.001378 -0.000411 -0.000267 4C 2dx2y2 0.000519 -0.000456 0.001365 0.001245 -0.001560 -0.001866 4C 2dxy 0.002110 0.001130 0.000227 -0.002283 0.005564 0.005429 4C 1f0 0.000300 0.001075 -0.000032 0.000117 0.001118 0.001286 4C 1f+1 -0.001165 -0.000338 -0.000312 0.000054 -0.000890 -0.001159 4C 1f-1 0.000422 0.000293 -0.000169 0.000093 0.000366 0.000441 4C 1f+2 0.001780 0.001824 0.000151 0.000049 -0.000907 -0.000980 4C 1f-2 0.001346 0.001707 -0.000058 -0.000131 -0.001195 -0.001456 4C 1f+3 -0.001195 -0.001860 -0.000010 0.000049 -0.001230 -0.001355 4C 1f-3 0.000111 0.001171 -0.000249 0.000199 -0.000302 -0.000279 5C 1s 0.001304 0.000095 0.000440 -0.001650 -0.000287 0.000010 5C 2s 0.002906 0.000203 0.000973 -0.003578 -0.000605 0.000007 5C 3s -0.006440 -0.000451 -0.004107 0.006098 0.000594 0.000127 5C 4s 0.002741 -0.000052 0.013945 0.009875 0.003832 -0.000366 5C 5s 0.002245 -0.008072 0.019528 -0.003667 0.010741 -0.008182 5C 1pz 0.123302 -0.090561 0.000036 0.005957 -0.012804 0.012737 5C 1px 0.029305 -0.016700 -0.007375 0.004658 0.038160 -0.034944 5C 1py 0.056669 -0.067943 0.001730 -0.012911 0.007059 -0.007917 5C 2pz 0.101806 -0.077773 0.002249 0.003554 -0.005558 0.004623 5C 2px 0.022058 -0.013321 -0.004669 -0.003500 0.017049 -0.011820 5C 2py 0.052957 -0.058062 -0.002274 -0.006989 0.003213 -0.003030 5C 3pz 0.016505 -0.010649 0.006634 0.010706 -0.004872 0.003884 5C 3px 0.003605 -0.000475 -0.003095 -0.011281 0.005905 -0.003710 5C 3py 0.016197 -0.015214 -0.010118 -0.016115 0.005435 -0.005109 5C 1dz2 0.001030 -0.000633 -0.000274 0.000358 -0.002282 0.002031 5C 1dxz 0.000239 -0.000265 0.000297 -0.000390 0.003513 -0.003186 5C 1dyz -0.000548 0.000178 0.000414 -0.000414 0.002983 -0.002644 5C 1dx2y2 0.001069 -0.000124 0.000612 -0.000496 0.003616 -0.003225 5C 1dxy 0.000181 0.000047 -0.000861 0.000730 -0.006237 0.005509 5C 2dz2 0.000857 -0.000515 -0.002583 0.001224 -0.003481 0.002381 5C 2dxz 0.000140 0.000452 0.000002 -0.000871 0.005354 -0.004509 5C 2dyz -0.002134 -0.000833 0.000017 -0.003238 0.004212 -0.003392 5C 2dx2y2 -0.001353 0.001885 0.003577 -0.003931 0.004107 -0.003615 5C 2dxy -0.001716 0.000969 -0.000655 0.002197 -0.007816 0.005699 5C 1f0 -0.001233 0.000708 -0.000186 -0.000172 0.000578 -0.000491 5C 1f+1 -0.001808 0.001063 -0.000116 0.000039 -0.000400 0.000328 5C 1f-1 -0.002909 0.002536 0.000041 -0.000038 -0.000658 0.000648 5C 1f+2 0.002084 -0.001749 0.000179 0.000021 -0.001585 0.001496 5C 1f-2 -0.000798 0.000965 0.000313 0.000386 0.000479 -0.000521 5C 1f+3 -0.000627 0.000281 -0.000197 -0.000073 -0.001523 0.001410 5C 1f-3 -0.000479 0.000701 0.000387 0.000063 -0.001226 0.001303 6C 1s -0.001310 0.000106 0.000460 0.001642 0.000284 -0.000002 6C 2s -0.002921 0.000228 0.001015 0.003561 0.000598 0.000008 6C 3s 0.006514 -0.000496 -0.004142 -0.006181 -0.000589 -0.000134 6C 4s -0.002906 -0.000050 0.013613 -0.009132 -0.003845 0.000254 6C 5s -0.002367 -0.007989 0.019471 0.004182 -0.010609 0.007771 6C 1pz 0.123852 0.090378 0.000109 0.005927 -0.012509 0.012223 6C 1px 0.029364 0.016672 0.007389 0.004813 0.037345 -0.033546 6C 1py 0.057335 0.068062 -0.001862 -0.012932 0.006917 -0.007665 6C 2pz 0.102346 0.077673 -0.002067 0.003403 -0.005416 0.004408 6C 2px 0.022154 0.013318 0.004466 -0.003345 0.016608 -0.011186 6C 2py 0.053387 0.058072 0.002154 -0.006831 0.003154 -0.002969 6C 3pz 0.016641 0.010701 -0.006395 0.010262 -0.004901 0.003749 6C 3px 0.003648 0.000487 0.003092 -0.011292 0.005838 -0.003740 6C 3py 0.016269 0.015091 0.009924 -0.015468 0.005492 -0.004864 6C 1dz2 -0.001037 -0.000634 -0.000269 -0.000372 0.002225 -0.001966 6C 1dxz -0.000239 -0.000266 0.000297 0.000407 -0.003440 0.003086 6C 1dyz 0.000553 0.000180 0.000413 0.000424 -0.002926 0.002552 6C 1dx2y2 -0.001075 -0.000118 0.000612 0.000510 -0.003547 0.003106 6C 1dxy -0.000180 0.000052 -0.000860 -0.000756 0.006129 -0.005303 6C 2dz2 -0.000864 -0.000527 -0.002572 -0.001301 0.003359 -0.002269 6C 2dxz -0.000093 0.000496 0.000017 0.000807 -0.005246 0.004374 6C 2dyz 0.002133 -0.000855 0.000060 0.003222 -0.004118 0.003271 6C 2dx2y2 0.001306 0.001844 0.003582 0.004064 -0.003998 0.003459 6C 2dxy 0.001704 0.000947 -0.000675 -0.002213 0.007699 -0.005480 6C 1f0 -0.001238 -0.000706 0.000179 -0.000162 0.000565 -0.000468 6C 1f+1 -0.001818 -0.001061 0.000116 0.000046 -0.000394 0.000312 6C 1f-1 -0.002927 -0.002533 -0.000044 -0.000038 -0.000647 0.000629 6C 1f+2 0.002100 0.001750 -0.000175 0.000016 -0.001559 0.001450 6C 1f-2 -0.000807 -0.000969 -0.000303 0.000371 0.000476 -0.000508 6C 1f+3 -0.000633 -0.000281 0.000194 -0.000064 -0.001496 0.001373 6C 1f-3 -0.000484 -0.000704 -0.000380 0.000045 -0.001209 0.001269 7C 1s -0.002162 0.000107 0.000427 -0.001280 -0.000278 -0.000090 7C 2s -0.004826 0.000257 0.000942 -0.002770 -0.000604 -0.000201 7C 3s 0.010949 -0.000983 -0.003295 0.005041 0.000354 -0.000094 7C 4s -0.005231 0.001576 0.008940 0.005619 0.005050 0.002251 7C 5s 0.014741 -0.005550 0.016522 0.002739 -0.010349 -0.011546 7C 1pz 0.080650 -0.059027 0.003498 -0.008381 -0.014284 -0.014319 7C 1px 0.032871 -0.035476 -0.004312 -0.001541 0.032984 0.036438 7C 1py -0.037418 0.091522 0.000031 -0.007145 0.003815 0.005339 7C 2pz 0.059665 -0.049368 0.000305 -0.001624 -0.009879 -0.008582 7C 2px 0.026458 -0.029917 -0.003104 -0.002967 0.015278 0.012999 7C 2py -0.037096 0.078760 -0.001497 -0.003767 -0.000138 -0.000096 7C 3pz 0.008625 -0.010859 -0.002011 -0.000252 -0.008224 -0.008020 7C 3px 0.005115 -0.004480 -0.006164 -0.013338 0.005090 0.003148 7C 3py -0.010424 0.013263 -0.003468 -0.008432 -0.003332 -0.003726 7C 1dz2 -0.000265 0.000467 0.000290 -0.000327 0.003230 0.003336 7C 1dxz 0.000270 0.000057 -0.000712 0.000902 -0.005833 -0.006120 7C 1dyz 0.000395 -0.000263 0.000002 -0.000047 0.000236 0.000300 7C 1dx2y2 -0.001260 0.000424 0.000175 0.000055 -0.000071 -0.000073 7C 1dxy -0.000450 0.000196 -0.000644 0.000532 -0.004279 -0.004564 7C 2dz2 -0.002171 -0.000400 0.000623 -0.000455 0.003741 0.002845 7C 2dxz -0.000224 -0.000653 -0.003345 0.004039 -0.008362 -0.007886 7C 2dyz -0.003292 0.000503 0.000227 0.001382 0.000427 0.000266 7C 2dx2y2 -0.000474 -0.000507 0.001375 -0.001352 0.001470 0.001746 7C 2dxy -0.002109 0.001144 0.000154 0.002275 -0.005341 -0.005036 7C 1f0 0.000295 -0.001081 0.000031 0.000112 0.001082 0.001224 7C 1f+1 -0.001172 0.000346 0.000303 0.000045 -0.000871 -0.001113 7C 1f-1 0.000435 -0.000314 0.000165 0.000094 0.000360 0.000433 7C 1f+2 0.001782 -0.001844 -0.000151 0.000053 -0.000876 -0.000924 7C 1f-2 0.001347 -0.001729 0.000063 -0.000129 -0.001156 -0.001395 7C 1f+3 -0.001194 0.001878 0.000004 0.000047 -0.001189 -0.001287 7C 1f-3 0.000104 -0.001178 0.000236 0.000188 -0.000289 -0.000256 8C 1s 0.000694 -0.000617 0.000108 0.000274 -0.000340 0.000315 8C 2s 0.001478 -0.001323 0.000221 0.000573 -0.000743 0.000683 8C 3s -0.003360 0.001879 -0.000064 -0.001330 0.001020 -0.000960 8C 4s 0.003278 0.004492 -0.001232 0.001914 0.002396 -0.001981 8C 5s 0.001223 0.008156 0.003246 -0.013361 0.011466 -0.008275 8C 1pz 0.087346 0.094544 -0.007471 -0.010349 0.050595 -0.044633 8C 1px 0.013402 0.020515 0.021026 0.011177 -0.146956 0.133978 8C 1py 0.077241 0.054200 0.006093 0.007760 -0.029644 0.028699 8C 2pz 0.067259 0.073900 -0.005748 -0.009326 0.039547 -0.035468 8C 2px 0.009858 0.016363 0.016539 0.006905 -0.115446 0.105341 8C 2py 0.064501 0.043615 0.004607 0.008770 -0.022951 0.022762 8C 3pz 0.028432 0.030843 -0.003516 -0.003148 0.016452 -0.014659 8C 3px 0.002397 0.005508 0.004204 0.009927 -0.054516 0.049464 8C 3py 0.027971 0.020990 0.002254 0.000900 -0.008634 0.008796 8C 1dz2 -0.003375 -0.002793 -0.000059 -0.000070 0.000823 -0.000802 8C 1dxz 0.001066 0.000769 0.000851 0.000668 -0.006689 0.006166 8C 1dyz -0.002383 -0.001447 0.000350 0.000014 -0.003767 0.003361 8C 1dx2y2 0.001065 0.002012 -0.000174 -0.000314 0.000092 -0.000027 8C 1dxy 0.001197 0.001867 0.000062 -0.000337 0.001178 -0.001085 8C 2dz2 -0.005531 -0.004105 -0.000121 -0.000437 0.001654 -0.001443 8C 2dxz -0.000169 -0.000622 0.000591 0.000448 -0.005657 0.005323 8C 2dyz -0.001052 0.000865 0.000360 -0.001432 -0.003584 0.002948 8C 2dx2y2 -0.002579 -0.000945 -0.000072 -0.000946 -0.000622 0.000482 8C 2dxy -0.000167 0.000951 -0.000373 -0.000621 0.002606 -0.002397 8C 1f0 0.000031 -0.000202 -0.000022 0.000146 -0.000142 0.000139 8C 1f+1 0.000428 0.000363 0.000063 0.000013 -0.000603 0.000542 8C 1f-1 -0.001106 -0.000987 0.000054 0.000085 0.000066 -0.000032 8C 1f+2 0.000157 0.000071 0.000060 0.000059 0.000123 -0.000117 8C 1f-2 -0.000387 -0.000434 -0.000136 0.000052 0.000144 -0.000106 8C 1f+3 -0.000786 -0.000458 0.000010 -0.000120 0.000504 -0.000487 8C 1f-3 0.000833 0.000551 0.000028 0.000081 0.000832 -0.000774 9C 1s 0.002606 -0.000372 -0.000034 -0.000117 -0.000413 -0.000441 9C 2s 0.005574 -0.000799 -0.000077 -0.000230 -0.000894 -0.000954 9C 3s -0.010168 0.001533 0.000282 0.000754 0.001252 0.001173 9C 4s -0.004188 0.001024 -0.000121 -0.002353 0.003484 0.004671 9C 5s -0.010570 0.000947 -0.003750 0.003056 0.011661 0.011801 9C 1pz -0.002365 -0.050743 0.005831 0.001180 0.048236 0.051121 9C 1px 0.012556 -0.032695 -0.017236 0.016428 -0.132365 -0.146053 9C 1py -0.078556 0.092703 -0.003944 0.002634 -0.022342 -0.023219 9C 2pz -0.005700 -0.039690 0.005180 0.003566 0.036451 0.038327 9C 2px 0.009096 -0.025360 -0.013331 0.012463 -0.103725 -0.114914 9C 2py -0.064643 0.073364 -0.002582 0.003341 -0.018054 -0.019228 9C 3pz -0.000142 -0.018322 0.000937 -0.002231 0.014210 0.014621 9C 3px 0.002916 -0.011470 -0.002860 0.008790 -0.047470 -0.052058 9C 3py -0.025308 0.030631 -0.001826 0.002241 -0.009952 -0.010581 9C 1dz2 0.000822 0.000617 -0.000047 -0.000237 0.000495 0.000581 9C 1dxz 0.001866 -0.002196 -0.000333 0.000408 -0.004277 -0.004774 9C 1dyz 0.002545 -0.000680 0.000339 -0.000558 0.002721 0.003042 9C 1dx2y2 -0.000592 -0.000257 0.000594 -0.000341 0.004546 0.004954 9C 1dxy -0.001645 0.003420 -0.000126 -0.000012 -0.001981 -0.002120 9C 2dz2 -0.000028 0.003044 0.000041 -0.000558 0.001732 0.001933 9C 2dxz 0.000663 0.000245 -0.000433 -0.000404 -0.003952 -0.004320 9C 2dyz 0.005336 -0.002522 0.000150 -0.001111 0.002087 0.002598 9C 2dx2y2 -0.002276 0.001613 0.000238 0.000310 0.002151 0.002375 9C 2dxy -0.000652 0.002284 -0.000338 -0.000401 -0.002369 -0.002496 9C 1f0 0.000533 -0.000767 0.000027 0.000032 -0.000535 -0.000602 9C 1f+1 0.000190 -0.000609 -0.000091 0.000084 0.000014 0.000011 9C 1f-1 -0.000450 -0.000075 0.000093 0.000132 0.000132 0.000115 9C 1f+2 0.000769 -0.000861 0.000021 -0.000053 0.000398 0.000459 9C 1f-2 -0.000002 -0.000007 -0.000047 0.000056 0.000386 0.000434 9C 1f+3 -0.000471 0.000293 -0.000010 0.000045 0.000061 0.000067 9C 1f-3 -0.000377 0.000294 -0.000039 0.000033 -0.000439 -0.000498 10H 1s 0.015324 0.009246 0.009080 0.006683 -0.076637 -0.085680 10H 2s 0.021059 0.013752 0.012455 0.010722 -0.109111 -0.121784 10H 3s 0.004763 0.003738 0.007474 0.000847 -0.038974 -0.044560 10H 1pz 0.001333 0.002781 0.000595 0.000769 -0.004435 -0.004970 10H 1px -0.001746 -0.000264 -0.000504 -0.000394 0.004894 0.005421 10H 1py -0.002344 -0.002929 0.000429 0.000364 -0.002834 -0.003081 11H 1s -0.019687 -0.048303 -0.002967 -0.005442 0.025921 0.030283 11H 2s -0.027169 -0.067407 -0.004366 -0.008325 0.037237 0.043593 11H 3s -0.009640 -0.016380 -0.001280 -0.002167 0.013892 0.015710 11H 1pz -0.002462 -0.003670 -0.000541 -0.000576 0.004195 0.004738 11H 1px -0.001854 -0.004239 0.000289 -0.000038 -0.002232 -0.002381 11H 1py -0.001443 0.000075 0.000315 0.000462 -0.002636 -0.002992 12H 1s 0.034952 0.041420 -0.006262 -0.004693 0.049340 0.054384 12H 2s 0.047671 0.057593 -0.008916 -0.007253 0.070728 0.077680 12H 3s 0.010598 0.015693 -0.001774 -0.000361 0.025529 0.028455 12H 1pz -0.001093 0.000679 -0.000014 0.000176 0.000087 0.000030 12H 1px 0.002927 0.004114 0.000162 0.000183 -0.001526 -0.001802 12H 1py 0.002539 0.003134 -0.000762 -0.000696 0.005827 0.006417 13H 1s -0.010426 0.015784 -0.011489 0.008907 -0.081370 0.075062 13H 2s -0.014907 0.022533 -0.015773 0.012862 -0.114233 0.105174 13H 3s -0.003547 0.004875 -0.005541 0.000680 -0.040979 0.038387 13H 1pz 0.001790 -0.001470 -0.000893 0.000659 -0.006072 0.005605 13H 1px 0.001538 -0.002429 0.000409 -0.000609 0.002873 -0.002634 13H 1py 0.003566 -0.003006 0.000448 -0.000296 0.003129 -0.002764 14H 1s -0.033400 0.038199 0.008258 -0.002772 0.059912 -0.056156 14H 2s -0.045642 0.052975 0.011403 -0.004887 0.085039 -0.079726 14H 3s -0.013716 0.014165 0.005556 -0.000110 0.031163 -0.029095 14H 1pz 0.000088 0.000014 0.000945 -0.000652 0.006292 -0.005809 14H 1px -0.004378 0.004769 0.000382 -0.000138 0.002609 -0.002510 14H 1py 0.002383 -0.001381 -0.000069 0.000241 0.000371 -0.000312 15H 1s 0.057565 -0.050263 0.002307 -0.001338 0.021428 -0.018459 15H 2s 0.078926 -0.070438 0.002824 -0.002800 0.030749 -0.026447 15H 3s 0.018341 -0.017244 0.000687 -0.000179 0.012053 -0.010261 15H 1pz -0.002722 0.001776 0.000031 -0.000123 -0.000243 0.000179 15H 1px 0.002543 -0.002554 -0.000698 0.000319 -0.004718 0.004406 15H 1py -0.005081 0.004939 -0.000469 0.000545 -0.003630 0.003239 16H 1s 0.001831 0.000141 0.059241 -0.060250 -0.006273 0.000268 16H 2s 0.000516 0.000431 0.070618 -0.072144 -0.008864 -0.001392 16H 3s -0.000059 -0.000177 0.027088 -0.028526 -0.001523 -0.001771 16H 1pz -0.000092 0.000080 0.006217 -0.006476 -0.000702 -0.000061 16H 1px 0.000093 0.000037 0.008388 -0.008393 -0.000215 0.000218 16H 1py 0.000133 0.000006 -0.003816 0.004182 0.000983 0.000190 17H 1s -0.002795 0.000079 0.058864 -0.059988 -0.006292 -0.000766 17H 2s -0.002336 0.000145 0.069429 -0.071188 -0.008717 0.000014 17H 3s -0.000246 -0.000165 0.025566 -0.026918 -0.001378 0.001224 17H 1pz 0.000185 -0.000020 -0.010486 0.010736 0.000815 0.000103 17H 1px 0.000007 0.000036 0.002470 -0.002277 0.000335 -0.000121 17H 1py -0.000010 -0.000008 -0.002419 0.002719 0.000870 -0.000127 18H 1s 0.002761 0.000101 0.058405 0.060425 0.006210 0.000987 18H 2s 0.002267 0.000173 0.069081 0.071862 0.008621 0.000291 18H 3s 0.000208 -0.000151 0.025278 0.027087 0.001429 -0.001117 18H 1pz 0.000178 0.000022 0.010378 0.010781 0.000800 0.000163 18H 1px 0.000003 -0.000036 -0.002504 -0.002355 0.000318 -0.000173 18H 1py -0.000018 0.000012 0.002564 0.002919 0.000892 -0.000150 19H 1s -0.001901 0.000159 0.058717 0.060689 0.006385 0.000093 19H 2s -0.000617 0.000440 0.070027 0.072716 0.009002 0.001860 19H 3s 0.000014 -0.000162 0.026891 0.028723 0.001431 0.001785 19H 1pz -0.000087 -0.000078 -0.006286 -0.006656 -0.000732 -0.000090 19H 1px 0.000095 -0.000038 -0.008326 -0.008466 -0.000238 0.000128 19H 1py 0.000125 -0.000002 0.003576 0.003991 0.000945 0.000152 20H 1s -0.057728 -0.050075 0.002291 0.001496 -0.021563 0.018447 20H 2s -0.079151 -0.070171 0.002799 0.003023 -0.030898 0.026405 20H 3s -0.018476 -0.017265 0.000693 0.000179 -0.012061 0.010096 20H 1pz -0.002722 -0.001762 -0.000028 -0.000117 -0.000295 0.000232 20H 1px 0.002625 0.002612 0.000688 0.000334 -0.004599 0.004228 20H 1py -0.005075 -0.004901 0.000470 0.000570 -0.003619 0.003194 21H 1s 0.033965 0.038511 0.008137 0.002969 -0.058535 0.053985 21H 2s 0.046400 0.053403 0.011236 0.005156 -0.083084 0.076642 21H 3s 0.013957 0.014291 0.005515 0.000176 -0.030430 0.027991 21H 1pz 0.000033 -0.000074 -0.000937 -0.000681 0.006200 -0.005642 21H 1px -0.004431 -0.004786 -0.000369 -0.000140 0.002485 -0.002350 21H 1py 0.002371 0.001357 0.000072 0.000240 0.000371 -0.000309 22H 1s 0.010149 0.015401 -0.011416 -0.009294 0.080124 -0.072866 22H 2s 0.014500 0.021963 -0.015659 -0.013381 0.112557 -0.102163 22H 3s 0.003368 0.004694 -0.005500 -0.000906 0.040283 -0.037301 22H 1pz 0.001855 0.001529 0.000882 0.000679 -0.005941 0.005399 22H 1px 0.001520 0.002397 -0.000414 -0.000628 0.002879 -0.002605 22H 1py 0.003559 0.002982 -0.000447 -0.000317 0.003126 -0.002730 23H 1s -0.035198 0.042180 -0.006272 0.004737 -0.046804 -0.050717 23H 2s -0.047997 0.058637 -0.008954 0.007319 -0.067172 -0.072529 23H 3s -0.010669 0.015945 -0.001755 0.000447 -0.024213 -0.026490 23H 1pz -0.001115 -0.000666 0.000006 0.000174 0.000076 0.000016 23H 1px 0.002868 -0.004090 -0.000177 0.000205 -0.001620 -0.001863 23H 1py 0.002606 -0.003270 0.000769 -0.000706 0.005579 0.006038 24H 1s 0.019492 -0.048549 -0.003134 0.005612 -0.026128 -0.029897 24H 2s 0.026957 -0.067777 -0.004596 0.008581 -0.037521 -0.043024 24H 3s 0.009592 -0.016586 -0.001320 0.002251 -0.013988 -0.015556 24H 1pz -0.002425 0.003634 0.000554 -0.000600 0.004141 0.004588 24H 1px -0.001868 0.004331 -0.000272 -0.000052 -0.002013 -0.002103 24H 1py -0.001489 0.000003 -0.000328 0.000470 -0.002583 -0.002880 25H 1s -0.014926 0.008573 0.009113 -0.006919 0.074255 0.081515 25H 2s -0.020501 0.012787 0.012512 -0.011049 0.105681 0.115821 25H 3s -0.004630 0.003515 0.007490 -0.000954 0.037608 0.042208 25H 1pz 0.001308 -0.002752 -0.000610 0.000787 -0.004351 -0.004786 25H 1px -0.001684 0.000152 0.000501 -0.000406 0.004732 0.005146 25H 1py -0.002380 0.002983 -0.000425 0.000363 -0.002630 -0.002810 26O 1s 0.000306 0.000040 0.000381 -0.001120 -0.000198 0.000175 26O 2s 0.000691 0.000084 0.000881 -0.002666 -0.000555 0.000354 26O 3s -0.000075 0.000064 -0.000824 0.003747 0.001735 0.000121 26O 4s -0.006028 -0.001186 -0.003865 0.007286 0.000365 -0.000741 26O 5s 0.003202 0.001048 -0.007131 0.011404 -0.001716 -0.001901 26O 1pz 0.047892 0.041209 -0.006176 -0.012679 0.003009 0.000079 26O 1px -0.005844 0.023663 0.001520 0.015638 -0.049004 -0.055039 26O 1py -0.049994 -0.067980 -0.004139 -0.001155 -0.014933 -0.017659 26O 2pz 0.040920 0.034945 -0.005823 -0.009637 0.002240 -0.000213 26O 2px -0.002588 0.020359 0.001333 0.012389 -0.040663 -0.045950 26O 2py -0.041020 -0.057180 -0.003437 -0.000987 -0.012773 -0.015095 26O 3pz 0.023554 0.017712 -0.000469 -0.008641 0.007441 0.006569 26O 3px -0.000078 0.010238 0.010149 0.003265 -0.020944 -0.026800 26O 3py -0.021340 -0.032825 -0.000350 -0.001414 -0.001955 -0.004058 26O 1dz2 -0.000413 -0.000127 0.000045 0.000097 -0.000692 -0.000807 26O 1dxz -0.001370 -0.001128 0.000176 0.000167 0.000029 0.000065 26O 1dyz -0.000529 -0.000294 0.000184 0.000024 -0.000158 -0.000230 26O 1dx2y2 -0.000312 -0.001346 -0.000076 -0.000268 0.000788 0.000870 26O 1dxy 0.001143 0.001459 0.000076 -0.000062 0.000606 0.000656 26O 2dz2 0.000422 0.000158 0.000120 0.000234 -0.001750 -0.002435 26O 2dxz -0.004129 -0.003166 0.000460 0.000855 -0.000702 -0.000673 26O 2dyz -0.001018 -0.001316 -0.000131 0.000388 -0.001110 -0.001533 26O 2dx2y2 -0.001254 -0.003659 -0.000441 -0.000755 0.002057 0.002610 26O 2dxy 0.003161 0.004562 -0.000002 0.000178 0.001007 0.001333 26O 1f0 -0.000396 -0.000290 0.000039 0.000047 0.000078 0.000074 26O 1f+1 0.000320 0.000156 0.000034 -0.000142 0.000331 0.000372 26O 1f-1 0.000472 0.000441 0.000058 -0.000099 0.000229 0.000168 26O 1f+2 0.000637 0.000678 -0.000061 -0.000005 -0.000153 -0.000133 26O 1f-2 0.000469 0.000314 0.000002 -0.000085 -0.000012 -0.000057 26O 1f+3 -0.000566 -0.001175 -0.000078 -0.000088 0.000150 0.000173 26O 1f-3 0.000404 0.000425 0.000029 -0.000102 0.000374 0.000456 27O 1s -0.000161 0.000196 -0.002044 0.002186 0.000395 -0.000260 27O 2s -0.000389 0.000448 -0.004945 0.005298 0.000856 -0.000555 27O 3s 0.000787 -0.000330 0.008167 -0.008866 -0.000219 0.000095 27O 4s 0.000451 -0.002862 0.010312 -0.009916 -0.003485 0.002017 27O 5s 0.002225 -0.001040 -0.004618 -0.000982 -0.009651 0.004006 27O 1pz 0.093916 -0.067281 0.004793 -0.000660 0.010695 -0.008299 27O 1px 0.007595 -0.016809 0.004322 -0.008297 -0.058737 0.051538 27O 1py 0.051857 -0.046576 -0.008749 0.001259 0.003194 -0.007250 27O 2pz 0.079016 -0.056643 0.003920 -0.000210 0.008663 -0.006653 27O 2px 0.006780 -0.013312 0.004411 -0.007421 -0.048020 0.042632 27O 2py 0.043819 -0.039795 -0.007321 0.000535 0.002483 -0.005836 27O 3pz 0.045402 -0.032132 -0.000923 -0.001256 0.007665 -0.007936 27O 3px 0.006309 -0.007580 0.007976 -0.006411 -0.022291 0.024003 27O 3py 0.022035 -0.020998 -0.004513 0.004877 -0.004023 0.001134 27O 1dz2 0.000237 -0.000249 0.000145 -0.000144 -0.000641 0.000530 27O 1dxz -0.002474 0.001770 -0.000054 -0.000105 -0.000296 0.000236 27O 1dyz 0.000501 -0.000402 -0.000068 0.000043 0.000209 -0.000268 27O 1dx2y2 -0.000431 0.000712 -0.000151 0.000274 0.001273 -0.001095 27O 1dxy -0.001181 0.001190 0.000151 0.000075 -0.000240 0.000244 27O 2dz2 0.001940 -0.001296 0.000749 -0.000931 -0.001128 0.001027 27O 2dxz -0.007107 0.005216 0.000437 -0.000224 -0.001370 0.001203 27O 2dyz 0.000626 -0.001092 -0.000178 0.000304 0.001123 -0.001187 27O 2dx2y2 -0.001068 0.001530 -0.001676 0.002046 0.003008 -0.003129 27O 2dxy -0.004041 0.004057 0.000285 -0.000348 0.000770 -0.000565 27O 1f0 -0.001094 0.000769 -0.000064 -0.000010 -0.000146 0.000082 27O 1f+1 -0.000086 0.000120 -0.000016 0.000053 0.000350 -0.000347 27O 1f-1 -0.000451 0.000378 -0.000003 0.000047 -0.000061 0.000065 27O 1f+2 0.001128 -0.000842 -0.000143 0.000157 0.000024 -0.000065 27O 1f-2 -0.000772 0.000582 -0.000137 0.000031 -0.000175 0.000112 27O 1f+3 -0.000594 0.000665 0.000124 0.000089 0.000443 -0.000369 27O 1f-3 -0.000669 0.000663 0.000000 0.000086 -0.000239 0.000238 28O 1s 0.000269 0.000081 -0.001630 -0.001713 -0.000616 -0.000643 28O 2s 0.000602 0.000183 -0.003956 -0.004162 -0.001375 -0.001443 28O 3s 0.000048 -0.000114 0.006709 0.007106 0.000719 0.000921 28O 4s -0.005659 -0.001043 0.007416 0.007164 0.006728 0.006659 28O 5s 0.004300 -0.000222 -0.001035 0.001388 0.011466 0.007470 28O 1pz 0.031846 0.040817 0.006340 0.004311 0.030926 0.037512 28O 1px 0.047200 0.027499 0.001132 -0.002530 -0.050190 -0.051124 28O 1py -0.041088 -0.068805 0.005420 0.001215 -0.000318 0.000706 28O 2pz 0.028337 0.034362 0.005638 0.003717 0.023974 0.029681 28O 2px 0.038122 0.022872 0.000361 -0.002636 -0.040239 -0.041268 28O 2py -0.034001 -0.057427 0.004270 0.000573 -0.000476 0.000328 28O 3pz 0.017526 0.019000 0.003356 0.003459 0.010094 0.015069 28O 3px 0.020655 0.013037 -0.004667 -0.001800 -0.020215 -0.024782 28O 3py -0.018209 -0.033371 0.003851 0.003309 -0.001973 -0.002122 28O 1dz2 -0.001383 -0.001247 -0.000034 0.000079 0.000135 0.000130 28O 1dxz -0.000008 0.000383 0.000184 0.000168 0.001170 0.001258 28O 1dyz 0.000498 0.001111 -0.000020 0.000062 0.000099 0.000165 28O 1dx2y2 0.000992 0.000434 -0.000013 -0.000147 -0.000856 -0.000841 28O 1dxy -0.000834 -0.001534 0.000090 -0.000023 0.000112 0.000172 28O 2dz2 -0.003302 -0.003318 0.000110 -0.000134 0.001221 0.001412 28O 2dxz 0.001462 0.001706 0.001105 0.001459 0.001826 0.002460 28O 2dyz 0.001984 0.002914 0.000145 0.000240 0.001287 0.001555 28O 2dx2y2 0.002943 0.001776 -0.001000 -0.000944 -0.002156 -0.002489 28O 2dxy -0.001962 -0.004546 0.000086 0.000166 -0.000305 -0.000117 28O 1f0 0.000740 0.000720 0.000024 -0.000047 -0.000190 -0.000183 28O 1f+1 -0.000772 -0.000811 0.000044 0.000075 -0.000195 -0.000243 28O 1f-1 0.000082 -0.000170 0.000195 0.000064 -0.000088 0.000006 28O 1f+2 -0.000104 0.000223 -0.000104 0.000015 0.000442 0.000470 28O 1f-2 0.000599 0.000974 -0.000014 0.000080 -0.000054 -0.000040 28O 1f+3 -0.000285 -0.000083 0.000012 0.000082 0.000180 0.000222 28O 1f-3 0.000411 0.000744 0.000024 0.000027 -0.000089 -0.000102 29O 1s -0.000233 0.000008 0.020144 -0.021004 -0.003109 -0.000140 29O 2s -0.000564 0.000020 0.048450 -0.050561 -0.007525 -0.000343 29O 3s 0.000912 -0.000031 -0.075707 0.079439 0.012325 0.000620 29O 4s 0.001022 0.000060 -0.106967 0.110071 0.015222 0.000337 29O 5s 0.002091 -0.000598 -0.108272 0.117971 0.020140 0.002197 29O 1pz -0.005436 -0.000309 -0.088792 0.088532 0.006203 -0.001982 29O 1px -0.002984 0.000486 0.193359 -0.190606 -0.009690 -0.000889 29O 1py 0.002863 -0.000211 -0.184740 0.194639 0.029219 0.001467 29O 2pz -0.004442 -0.000185 -0.074660 0.074288 0.004987 -0.001671 29O 2px -0.002405 0.000415 0.164675 -0.161872 -0.007743 -0.000685 29O 2py 0.002320 -0.000183 -0.150917 0.159396 0.023727 0.001204 29O 3pz -0.004529 -0.000153 -0.045076 0.045600 0.003228 -0.002893 29O 3px -0.002252 0.000434 0.097903 -0.098330 -0.005429 -0.001251 29O 3py 0.001571 0.000210 -0.102394 0.106846 0.017501 0.000595 29O 1dz2 0.000095 0.000004 0.000100 -0.000078 0.000022 0.000007 29O 1dxz -0.000110 -0.000002 0.000160 -0.000177 -0.000049 -0.000021 29O 1dyz 0.000085 0.000006 0.001274 -0.001298 -0.000130 -0.000006 29O 1dx2y2 -0.000022 -0.000003 -0.000896 0.000983 0.000209 0.000004 29O 1dxy 0.000064 -0.000002 -0.003216 0.003267 0.000290 0.000009 29O 2dz2 0.000455 -0.000023 -0.001952 0.002370 0.000497 0.000109 29O 2dxz -0.000344 -0.000000 -0.000421 0.000709 0.000042 -0.000108 29O 2dyz 0.000650 -0.000009 0.005419 -0.005467 -0.000484 0.000023 29O 2dx2y2 0.000017 0.000015 -0.006171 0.006134 0.001106 -0.000030 29O 2dxy 0.000293 -0.000046 -0.012213 0.012141 0.000914 0.000049 29O 1f0 -0.000043 -0.000003 -0.001216 0.001221 0.000054 -0.000029 29O 1f+1 -0.000053 0.000002 0.000484 -0.000472 0.000019 -0.000020 29O 1f-1 -0.000037 0.000002 -0.001221 0.001259 0.000161 -0.000022 29O 1f+2 0.000015 0.000001 0.000569 -0.000608 -0.000030 0.000008 29O 1f-2 0.000076 -0.000003 -0.000447 0.000461 0.000080 0.000049 29O 1f+3 -0.000030 0.000003 0.001068 -0.001173 -0.000152 -0.000023 29O 1f-3 -0.000040 0.000004 0.001304 -0.001318 -0.000078 -0.000024 30O 1s -0.000142 0.000180 0.000518 0.001515 -0.000095 0.000487 30O 2s -0.000366 0.000432 0.001205 0.003602 -0.000122 0.001092 30O 3s 0.001079 -0.000616 -0.001236 -0.004947 -0.001094 -0.000792 30O 4s -0.001192 -0.001433 -0.004661 -0.010253 0.003196 -0.004216 30O 5s 0.003668 -0.002005 -0.013374 -0.017449 0.003762 -0.003601 30O 1pz 0.087834 -0.070782 -0.002944 -0.001836 0.024645 -0.023934 30O 1px 0.030843 -0.010620 -0.006577 0.023002 -0.047592 0.042951 30O 1py 0.057245 -0.046443 0.006876 -0.003915 -0.026858 0.027076 30O 2pz 0.073913 -0.058769 -0.002704 -0.001523 0.020160 -0.019562 30O 2px 0.025183 -0.009077 -0.006145 0.017675 -0.038939 0.035377 30O 2py 0.047450 -0.039316 0.005774 -0.003564 -0.021390 0.021835 30O 3pz 0.044081 -0.034912 0.006934 0.004064 0.008468 -0.010508 30O 3px 0.014240 -0.005593 -0.011952 0.006642 -0.022706 0.023047 30O 3py 0.024115 -0.020311 -0.002027 -0.004525 -0.009984 0.011378 30O 1dz2 -0.002066 0.001584 0.000046 -0.000152 0.000284 -0.000224 30O 1dxz 0.001277 -0.001221 -0.000010 -0.000238 0.000843 -0.000779 30O 1dyz 0.000467 -0.000307 -0.000252 -0.000058 0.000293 -0.000230 30O 1dx2y2 -0.000036 0.000463 -0.000257 0.000338 -0.000519 0.000477 30O 1dxy 0.001554 -0.001143 0.000015 0.000114 -0.000954 0.000925 30O 2dz2 -0.005168 0.004048 0.000446 -0.000311 0.000602 -0.000584 30O 2dxz 0.005030 -0.004043 0.000464 -0.000250 0.002019 -0.002235 30O 2dyz 0.000583 -0.000629 0.000250 0.000585 -0.000291 0.000379 30O 2dx2y2 0.000278 0.001060 -0.000656 0.001213 -0.002222 0.002188 30O 2dxy 0.003908 -0.003376 -0.000014 -0.000194 -0.001894 0.002208 30O 1f0 0.000242 -0.000180 -0.000027 0.000036 -0.000198 0.000256 30O 1f+1 -0.001301 0.001001 0.000030 -0.000043 -0.000024 0.000022 30O 1f-1 -0.001306 0.001013 -0.000020 -0.000047 -0.000005 0.000019 30O 1f+2 0.000315 -0.000436 0.000042 -0.000177 0.000168 -0.000108 30O 1f-2 0.000085 -0.000107 -0.000021 -0.000069 0.000423 -0.000378 30O 1f+3 0.000511 -0.000540 0.000110 -0.000052 -0.000119 0.000073 30O 1f-3 -0.000471 0.000264 0.000004 -0.000162 0.000357 -0.000340 31O 1s 0.000156 0.000177 0.000485 -0.001479 0.000067 -0.000445 31O 2s 0.000398 0.000424 0.001126 -0.003516 0.000056 -0.000995 31O 3s -0.001133 -0.000603 -0.001127 0.004834 0.001171 0.000678 31O 4s 0.001133 -0.001420 -0.004439 0.010005 -0.003002 0.003946 31O 5s -0.003580 -0.001870 -0.012826 0.016536 -0.003549 0.003246 31O 1pz 0.088410 0.070780 0.002861 -0.001727 0.024419 -0.022908 31O 1px 0.030792 0.010538 0.006723 0.023147 -0.046478 0.041176 31O 1py 0.057679 0.046430 -0.006819 -0.004071 -0.026193 0.026345 31O 2pz 0.074403 0.058768 0.002666 -0.001459 0.019980 -0.018704 31O 2px 0.025125 0.009000 0.006228 0.017845 -0.038037 0.033940 31O 2py 0.047791 0.039290 -0.005745 -0.003670 -0.020852 0.021242 31O 3pz 0.044381 0.034908 -0.006896 0.003911 0.008442 -0.010004 31O 3px 0.014160 0.005555 0.011827 0.007082 -0.022197 0.022159 31O 3py 0.024326 0.020360 0.001876 -0.004313 -0.009719 0.011024 31O 1dz2 0.002076 0.001582 0.000048 0.000152 -0.000276 0.000211 31O 1dxz -0.001288 -0.001223 -0.000005 0.000235 -0.000829 0.000752 31O 1dyz -0.000467 -0.000306 -0.000248 0.000049 -0.000285 0.000217 31O 1dx2y2 0.000042 0.000466 -0.000260 -0.000343 0.000509 -0.000463 31O 1dxy -0.001562 -0.001142 0.000009 -0.000110 0.000934 -0.000896 31O 2dz2 0.005195 0.004045 0.000450 0.000320 -0.000592 0.000558 31O 2dxz -0.005067 -0.004041 0.000451 0.000274 -0.001988 0.002157 31O 2dyz -0.000583 -0.000625 0.000232 -0.000559 0.000283 -0.000363 31O 2dx2y2 -0.000263 0.001060 -0.000657 -0.001225 0.002179 -0.002120 31O 2dxy -0.003926 -0.003370 -0.000002 0.000176 0.001849 -0.002133 31O 1f0 0.000244 0.000180 0.000027 0.000037 -0.000194 0.000250 31O 1f+1 -0.001307 -0.001000 -0.000030 -0.000044 -0.000025 0.000020 31O 1f-1 -0.001314 -0.001012 0.000020 -0.000049 -0.000007 0.000017 31O 1f+2 0.000321 0.000437 -0.000042 -0.000179 0.000166 -0.000102 31O 1f-2 0.000086 0.000107 0.000022 -0.000071 0.000414 -0.000360 31O 1f+3 0.000515 0.000539 -0.000112 -0.000051 -0.000114 0.000067 31O 1f-3 -0.000471 -0.000263 -0.000005 -0.000164 0.000350 -0.000326 32O 1s 0.000211 0.000016 0.019964 0.021145 0.003107 0.000213 32O 2s 0.000511 0.000039 0.048015 0.050897 0.007520 0.000519 32O 3s -0.000828 -0.000061 -0.074991 -0.079930 -0.012311 -0.000894 32O 4s -0.000911 0.000020 -0.106140 -0.110958 -0.015226 -0.000705 32O 5s -0.001952 -0.000629 -0.107309 -0.118718 -0.020131 -0.002726 32O 1pz -0.005612 0.000316 0.083056 0.083975 0.005833 -0.001178 32O 1px -0.002894 -0.000529 -0.193892 -0.194215 -0.010070 -0.002560 32O 1py 0.002501 0.000292 0.183396 0.196253 0.029162 0.001645 32O 2pz -0.004590 0.000194 0.069943 0.070556 0.004677 -0.001012 32O 2px -0.002324 -0.000454 -0.165030 -0.164848 -0.008057 -0.002085 32O 2py 0.002015 0.000253 0.149779 0.160680 0.023677 0.001338 32O 3pz -0.004608 0.000175 0.042034 0.043126 0.003009 -0.002422 32O 3px -0.002231 -0.000439 -0.098140 -0.100131 -0.005662 -0.002243 32O 3py 0.001373 -0.000173 0.101502 0.107595 0.017440 0.000526 32O 1dz2 -0.000091 0.000004 0.000052 0.000032 -0.000021 -0.000001 32O 1dxz 0.000112 -0.000001 0.000217 0.000236 0.000048 0.000016 32O 1dyz -0.000090 0.000006 0.001227 0.001270 0.000128 0.000017 32O 1dx2y2 0.000026 -0.000004 -0.000871 -0.000974 -0.000209 -0.000000 32O 1dxy -0.000060 -0.000003 -0.003213 -0.003315 -0.000293 -0.000029 32O 2dz2 -0.000422 -0.000022 -0.002144 -0.002599 -0.000498 -0.000080 32O 2dxz 0.000363 0.000002 -0.000209 -0.000505 -0.000044 0.000094 32O 2dyz -0.000672 -0.000006 0.005126 0.005240 0.000458 0.000019 32O 2dx2y2 0.000010 0.000013 -0.006032 -0.006090 -0.001103 0.000041 32O 2dxy -0.000278 -0.000048 -0.012223 -0.012346 -0.000933 -0.000144 32O 1f0 -0.000043 0.000004 0.001128 0.001149 0.000048 -0.000019 32O 1f+1 -0.000055 -0.000002 -0.000522 -0.000518 0.000016 -0.000024 32O 1f-1 -0.000041 -0.000001 0.001252 0.001310 0.000165 -0.000019 32O 1f+2 0.000016 -0.000002 -0.000632 -0.000682 -0.000039 0.000003 32O 1f-2 0.000075 0.000003 0.000428 0.000450 0.000079 0.000046 32O 1f+3 -0.000027 -0.000004 -0.001026 -0.001148 -0.000148 -0.000024 32O 1f-3 -0.000040 -0.000005 -0.001289 -0.001326 -0.000079 -0.000033 33O 1s -0.000290 0.000073 -0.001689 0.001728 0.000573 0.000550 33O 2s -0.000653 0.000163 -0.004099 0.004198 0.001274 0.001226 33O 3s 0.000035 -0.000091 0.006941 -0.007161 -0.000613 -0.000675 33O 4s 0.005749 -0.000947 0.007720 -0.007271 -0.006388 -0.005951 33O 5s -0.004185 -0.000200 -0.001068 -0.000955 -0.010799 -0.006469 33O 1pz 0.032077 -0.041449 -0.006412 0.004412 0.029869 0.035370 33O 1px 0.047428 -0.027669 -0.000715 -0.002420 -0.048164 -0.047769 33O 1py -0.040910 0.069439 -0.005336 0.001256 -0.000315 0.000973 33O 2pz 0.028512 -0.034860 -0.005703 0.003841 0.023175 0.028018 33O 2px 0.038310 -0.023021 0.000011 -0.002580 -0.038632 -0.038606 33O 2py -0.033855 0.057967 -0.004197 0.000629 -0.000491 0.000538 33O 3pz 0.017656 -0.019386 -0.003473 0.003540 0.009694 0.014165 33O 3px 0.020758 -0.013126 0.004896 -0.001841 -0.019367 -0.023349 33O 3py -0.018080 0.033576 -0.003830 0.003233 -0.001918 -0.001899 33O 1dz2 0.001387 -0.001261 -0.000028 -0.000076 -0.000133 -0.000127 33O 1dxz 0.000004 0.000393 0.000188 -0.000166 -0.001129 -0.001184 33O 1dyz -0.000493 0.001117 -0.000019 -0.000061 -0.000099 -0.000165 33O 1dx2y2 -0.000996 0.000436 -0.000020 0.000144 0.000825 0.000789 33O 1dxy 0.000832 -0.001551 0.000089 0.000021 -0.000110 -0.000169 33O 2dz2 0.003311 -0.003346 0.000121 0.000143 -0.001175 -0.001326 33O 2dxz -0.001472 0.001738 0.001152 -0.001485 -0.001766 -0.002334 33O 2dyz -0.001971 0.002935 0.000145 -0.000229 -0.001233 -0.001460 33O 2dx2y2 -0.002952 0.001783 -0.001041 0.000949 0.002079 0.002356 33O 2dxy 0.001952 -0.004596 0.000090 -0.000177 0.000303 0.000109 33O 1f0 0.000741 -0.000726 -0.000021 -0.000046 -0.000183 -0.000174 33O 1f+1 -0.000775 0.000821 -0.000045 0.000073 -0.000186 -0.000225 33O 1f-1 0.000088 0.000166 -0.000194 0.000064 -0.000085 0.000008 33O 1f+2 -0.000103 -0.000230 0.000099 0.000017 0.000426 0.000442 33O 1f-2 0.000596 -0.000982 0.000013 0.000081 -0.000049 -0.000036 33O 1f+3 -0.000287 0.000081 -0.000016 0.000082 0.000176 0.000212 33O 1f-3 0.000411 -0.000753 -0.000024 0.000027 -0.000085 -0.000096 34O 1s 0.000182 0.000188 -0.002054 -0.002220 -0.000364 0.000205 34O 2s 0.000439 0.000431 -0.004968 -0.005379 -0.000785 0.000427 34O 3s -0.000866 -0.000303 0.008202 0.008993 0.000137 0.000062 34O 4s -0.000557 -0.002819 0.010371 0.010132 0.003266 -0.001650 34O 5s -0.002196 -0.000951 -0.004691 0.000417 0.009297 -0.003581 34O 1pz 0.094363 0.067161 -0.004658 -0.000861 0.010396 -0.008144 34O 1px 0.007941 0.016889 -0.004450 -0.008297 -0.057490 0.049370 34O 1py 0.052287 0.046583 0.008640 0.001520 0.003100 -0.007306 34O 2pz 0.079405 0.056551 -0.003799 -0.000379 0.008422 -0.006543 34O 2px 0.007089 0.013391 -0.004532 -0.007484 -0.047035 0.040875 34O 2py 0.044168 0.039791 0.007234 0.000774 0.002415 -0.005900 34O 3pz 0.045570 0.032049 0.000931 -0.001296 0.007516 -0.007837 34O 3px 0.006498 0.007565 -0.008078 -0.006598 -0.021729 0.023022 34O 3py 0.022267 0.021071 0.004461 0.004925 -0.004064 0.001035 34O 1dz2 -0.000244 -0.000250 0.000145 0.000145 0.000627 -0.000505 34O 1dxz 0.002483 0.001766 -0.000051 0.000102 0.000291 -0.000229 34O 1dyz -0.000504 -0.000402 -0.000068 -0.000044 -0.000208 0.000266 34O 1dx2y2 0.000440 0.000716 -0.000153 -0.000275 -0.001249 0.001054 34O 1dxy 0.001191 0.001191 0.000149 -0.000070 0.000234 -0.000235 34O 2dz2 -0.001963 -0.001300 0.000761 0.000955 0.001109 -0.000980 34O 2dxz 0.007138 0.005209 0.000454 0.000228 0.001347 -0.001159 34O 2dyz -0.000631 -0.001093 -0.000183 -0.000307 -0.001100 0.001148 34O 2dx2y2 0.001097 0.001532 -0.001695 -0.002083 -0.002953 0.003024 34O 2dxy 0.004076 0.004057 0.000284 0.000366 -0.000752 0.000536 34O 1f0 -0.001097 -0.000766 0.000062 -0.000008 -0.000144 0.000080 34O 1f+1 -0.000090 -0.000122 0.000017 0.000053 0.000342 -0.000335 34O 1f-1 -0.000453 -0.000377 0.000003 0.000047 -0.000059 0.000063 34O 1f+2 0.001133 0.000841 0.000144 0.000158 0.000023 -0.000067 34O 1f-2 -0.000776 -0.000582 0.000137 0.000034 -0.000171 0.000110 34O 1f+3 -0.000602 -0.000667 -0.000122 0.000087 0.000435 -0.000354 34O 1f-3 -0.000674 -0.000663 0.000000 0.000085 -0.000233 0.000230 35O 1s -0.000335 0.000025 0.000337 0.001094 0.000243 -0.000092 35O 2s -0.000761 0.000050 0.000775 0.002605 0.000659 -0.000160 35O 3s 0.000193 0.000104 -0.000677 -0.003660 -0.001862 -0.000365 35O 4s 0.006134 -0.001044 -0.003582 -0.007139 -0.000636 0.000256 35O 5s -0.003017 0.001082 -0.006432 -0.010689 0.001469 0.001236 35O 1pz 0.048168 -0.041778 0.006401 -0.012854 0.002816 -0.000135 35O 1px -0.006023 -0.024109 -0.001864 0.015645 -0.046820 -0.051292 35O 1py -0.049893 0.068515 0.004138 -0.001240 -0.014444 -0.016944 35O 2pz 0.041142 -0.035415 0.005999 -0.009765 0.002094 -0.000361 35O 2px -0.002747 -0.020714 -0.001562 0.012449 -0.038879 -0.042896 35O 2py -0.040944 0.057660 0.003453 -0.001037 -0.012347 -0.014482 35O 3pz 0.023695 -0.018021 0.000603 -0.008768 0.007238 0.006314 35O 3px -0.000136 -0.010479 -0.009987 0.003537 -0.019867 -0.025008 35O 3py -0.021249 0.032996 0.000497 -0.001297 -0.001789 -0.003876 35O 1dz2 0.000412 -0.000125 0.000051 -0.000095 0.000667 0.000764 35O 1dxz 0.001374 -0.001141 0.000181 -0.000170 -0.000027 -0.000060 35O 1dyz 0.000533 -0.000300 0.000186 -0.000025 0.000158 0.000232 35O 1dx2y2 0.000306 -0.001362 -0.000086 0.000265 -0.000754 -0.000814 35O 1dxy -0.001141 0.001468 0.000071 0.000056 -0.000584 -0.000616 35O 2dz2 -0.000425 0.000172 0.000122 -0.000237 0.001673 0.002305 35O 2dxz 0.004146 -0.003196 0.000488 -0.000844 0.000678 0.000631 35O 2dyz 0.001027 -0.001336 -0.000112 -0.000376 0.001069 0.001461 35O 2dx2y2 0.001240 -0.003706 -0.000442 0.000770 -0.001970 -0.002470 35O 2dxy -0.003154 0.004600 0.000012 -0.000161 -0.000969 -0.001274 35O 1f0 -0.000398 0.000294 -0.000042 0.000047 0.000074 0.000066 35O 1f+1 0.000322 -0.000156 -0.000032 -0.000145 0.000317 0.000349 35O 1f-1 0.000474 -0.000447 -0.000058 -0.000104 0.000220 0.000153 35O 1f+2 0.000637 -0.000684 0.000064 -0.000003 -0.000146 -0.000119 35O 1f-2 0.000473 -0.000321 0.000001 -0.000087 -0.000010 -0.000053 35O 1f+3 -0.000563 0.001188 0.000081 -0.000088 0.000143 0.000160 35O 1f-3 0.000403 -0.000425 -0.000029 -0.000104 0.000359 0.000429 90 91 92 93 94 95 -0.38648 -0.38644 -0.37961 -0.36688 -0.36668 -0.35708 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s 0.000404 -0.000185 -0.000008 -0.000000 -0.000016 -0.000038 0Rh 2s -0.001544 0.000729 0.000024 0.000003 0.000060 0.000148 0Rh 3s 0.001378 -0.000621 -0.000032 -0.000000 -0.000058 -0.000125 0Rh 4s 0.006549 -0.003104 -0.000101 -0.000012 -0.000253 -0.000634 0Rh 5s -0.005049 0.002565 0.000037 0.000017 0.000168 0.000554 0Rh 6s -0.010080 0.004192 0.000296 -0.000010 0.000488 0.000723 0Rh 7s 0.012085 -0.003084 -0.001543 0.000328 0.000431 0.000309 0Rh 8s -0.003705 -0.001095 0.001812 0.000759 0.000201 -0.000908 0Rh 1pz 0.001116 0.003211 -0.000039 0.003632 -0.001684 -0.000001 0Rh 1px -0.000737 0.001333 -0.000007 0.001514 0.000309 0.000099 0Rh 1py 0.003299 -0.000829 0.000005 -0.001465 -0.003787 -0.000072 0Rh 2pz -0.003777 -0.010869 0.000129 -0.012268 0.005693 0.000003 0Rh 2px 0.002491 -0.004508 0.000022 -0.005118 -0.001046 -0.000332 0Rh 2py -0.011169 0.002809 -0.000016 0.004954 0.012794 0.000242 0Rh 3pz 0.003039 0.008760 -0.000042 0.009484 -0.004487 0.000003 0Rh 3px -0.001954 0.003596 0.000036 0.003996 0.000857 0.000227 0Rh 3py 0.009063 -0.002318 -0.000012 -0.003903 -0.009890 -0.000142 0Rh 4pz 0.004914 0.014075 -0.000367 0.016870 -0.007522 -0.000024 0Rh 4px -0.003417 0.005954 -0.000214 0.006914 0.001264 0.000575 0Rh 4py 0.014224 -0.003449 0.000108 -0.006558 -0.017604 -0.000483 0Rh 5pz -0.000462 -0.001259 0.000265 -0.000392 -0.000319 0.000056 0Rh 5px 0.000576 -0.000645 0.000318 -0.000018 0.000322 -0.000245 0Rh 5py -0.000730 0.000011 -0.000101 -0.000245 0.000419 0.000197 0Rh 6pz -0.004862 -0.009050 -0.001027 -0.029506 0.015073 -0.001542 0Rh 6px 0.002134 -0.003042 -0.000968 -0.012418 -0.006783 0.000830 0Rh 6py -0.015585 0.003601 -0.000347 0.012613 0.031038 -0.000145 0Rh 1dz2 0.002331 -0.005580 0.025465 -0.000093 -0.002235 0.000109 0Rh 1dxz 0.007958 0.008833 0.012489 -0.008904 0.002456 0.000377 0Rh 1dyz -0.000083 0.002996 -0.014619 -0.000173 -0.001794 -0.000451 0Rh 1dx2y2 -0.009111 0.004246 0.017758 -0.006029 -0.002144 -0.000568 0Rh 1dxy 0.008877 -0.001917 0.001209 0.001565 0.008312 -0.000295 0Rh 2dz2 -0.000057 0.000151 -0.000614 0.000028 0.000044 -0.000006 0Rh 2dxz -0.000216 -0.000260 -0.000314 0.000219 -0.000046 -0.000013 0Rh 2dyz 0.000006 -0.000094 0.000355 -0.000009 0.000041 0.000012 0Rh 2dx2y2 0.000241 -0.000120 -0.000424 0.000151 0.000054 0.000016 0Rh 2dxy -0.000271 0.000060 -0.000025 -0.000022 -0.000191 0.000006 0Rh 3dz2 -0.003324 0.008041 -0.037083 0.000054 0.003296 -0.000145 0Rh 3dxz -0.011434 -0.012669 -0.018169 0.012988 -0.003638 -0.000531 0Rh 3dyz 0.000162 -0.004264 0.021248 0.000297 0.002629 0.000648 0Rh 3dx2y2 0.013060 -0.006100 -0.025875 0.008772 0.003118 0.000814 0Rh 3dxy -0.012713 0.002736 -0.001802 -0.002341 -0.012168 0.000430 0Rh 4dz2 -0.004604 0.010866 -0.049118 0.000391 0.004208 -0.000241 0Rh 4dxz -0.015546 -0.017360 -0.024099 0.017184 -0.004608 -0.000776 0Rh 4dyz 0.000030 -0.005966 0.028296 0.000212 0.003423 0.000895 0Rh 4dx2y2 0.017844 -0.008293 -0.034202 0.011698 0.004188 0.001130 0Rh 4dxy -0.017546 0.003810 -0.002235 -0.002863 -0.015927 0.000578 0Rh 5dz2 -0.002710 0.008631 -0.039090 -0.000034 0.003510 -0.000031 0Rh 5dxz -0.011347 -0.013086 -0.018987 0.012660 -0.003797 -0.000257 0Rh 5dyz 0.001060 -0.004315 0.021564 0.000446 0.002591 0.000580 0Rh 5dx2y2 0.012703 -0.006610 -0.027458 0.008486 0.002877 0.000564 0Rh 5dxy -0.012952 0.002637 -0.002274 -0.002612 -0.011927 0.000277 0Rh 1f0 -0.000421 0.000328 -0.000284 -0.001979 -0.001003 -0.000121 0Rh 1f+1 -0.000221 -0.000313 0.000466 -0.001224 0.000196 -0.000037 0Rh 1f-1 -0.000974 -0.000543 0.000209 0.001182 -0.002262 -0.000106 0Rh 1f+2 -0.000025 0.001050 0.000268 -0.001510 -0.000742 -0.000092 0Rh 1f-2 -0.000795 0.000334 -0.000213 0.000087 -0.001080 -0.000061 0Rh 1f+3 0.000218 -0.000579 -0.000519 0.000554 -0.000241 -0.000010 0Rh 1f-3 -0.000402 0.000135 -0.000153 0.000026 0.001266 0.000080 1Rh 1s 0.000415 -0.000167 -0.000007 0.000007 0.000015 -0.000037 1Rh 2s -0.001586 0.000657 0.000019 -0.000026 -0.000055 0.000147 1Rh 3s 0.001416 -0.000556 -0.000027 0.000022 0.000054 -0.000124 1Rh 4s 0.006729 -0.002797 -0.000078 0.000111 0.000232 -0.000630 1Rh 5s -0.005190 0.002321 0.000020 -0.000085 -0.000150 0.000550 1Rh 6s -0.010359 0.003739 0.000263 -0.000174 -0.000465 0.000718 1Rh 7s 0.012439 -0.002633 -0.001510 -0.000008 -0.000416 0.000313 1Rh 8s -0.003432 -0.000448 0.001872 -0.000843 -0.000202 -0.000991 1Rh 1pz -0.001107 -0.003197 0.000033 0.003633 -0.001682 -0.000000 1Rh 1px 0.000745 -0.001338 0.000004 0.001510 0.000306 -0.000105 1Rh 1py -0.003279 0.000826 0.000005 -0.001465 -0.003792 0.000097 1Rh 2pz 0.003745 0.010821 -0.000109 -0.012274 0.005685 0.000001 1Rh 2px -0.002518 0.004527 -0.000010 -0.005103 -0.001035 0.000352 1Rh 2py 0.011100 -0.002799 -0.000018 0.004953 0.012809 -0.000326 1Rh 3pz -0.003011 -0.008716 0.000028 0.009487 -0.004481 -0.000008 1Rh 3px 0.001968 -0.003627 -0.000047 0.003985 0.000848 -0.000243 1Rh 3py -0.009008 0.002308 0.000040 -0.003902 -0.009901 0.000206 1Rh 4pz -0.004881 -0.014030 0.000332 0.016884 -0.007513 0.000026 1Rh 4px 0.003475 -0.005928 0.000200 0.006889 0.001248 -0.000599 1Rh 4py -0.014137 0.003442 -0.000066 -0.006559 -0.017628 0.000603 1Rh 5pz 0.000469 0.001275 -0.000258 -0.000404 -0.000318 -0.000072 1Rh 5px -0.000603 0.000592 -0.000322 -0.000007 0.000323 0.000239 1Rh 5py 0.000735 -0.000018 0.000106 -0.000242 0.000427 -0.000213 1Rh 6pz 0.004845 0.009212 0.001209 -0.029405 0.015122 0.001579 1Rh 6px -0.002227 0.002936 0.001015 -0.012484 -0.006800 -0.000758 1Rh 6py 0.015646 -0.003669 0.000375 0.012674 0.031047 -0.000001 1Rh 1dz2 0.002044 -0.005755 0.025570 0.000192 0.002259 0.000008 1Rh 1dxz 0.007933 0.008664 0.012490 0.008965 -0.002437 0.000367 1Rh 1dyz -0.000734 0.002832 -0.014656 0.000141 0.001766 -0.000419 1Rh 1dx2y2 -0.009154 0.004469 0.017834 0.006096 0.002131 -0.000634 1Rh 1dxy 0.008659 -0.001820 0.001212 -0.001552 -0.008320 -0.000241 1Rh 2dz2 -0.000051 0.000154 -0.000617 -0.000030 -0.000045 -0.000003 1Rh 2dxz -0.000215 -0.000256 -0.000314 -0.000220 0.000045 -0.000013 1Rh 2dyz 0.000018 -0.000091 0.000356 0.000010 -0.000041 0.000011 1Rh 2dx2y2 0.000242 -0.000123 -0.000426 -0.000152 -0.000054 0.000017 1Rh 2dxy -0.000266 0.000058 -0.000024 0.000022 0.000191 0.000004 1Rh 3dz2 -0.002907 0.008294 -0.037235 -0.000198 -0.003331 0.000000 1Rh 3dxz -0.011400 -0.012425 -0.018175 -0.013076 0.003610 -0.000516 1Rh 3dyz 0.001108 -0.004027 0.021303 -0.000250 -0.002588 0.000602 1Rh 3dx2y2 0.013123 -0.006425 -0.025986 -0.008871 -0.003101 0.000910 1Rh 3dxy -0.012398 0.002596 -0.001808 0.002323 0.012179 0.000353 1Rh 4dz2 -0.004057 0.011200 -0.049332 -0.000582 -0.004255 -0.000040 1Rh 4dxz -0.015502 -0.017036 -0.024095 -0.017301 0.004571 -0.000761 1Rh 4dyz 0.001280 -0.005654 0.028368 -0.000153 -0.003371 0.000832 1Rh 4dx2y2 0.017934 -0.008714 -0.034351 -0.011826 -0.004160 0.001259 1Rh 4dxy -0.017123 0.003624 -0.002236 0.002839 0.015943 0.000471 1Rh 5dz2 -0.002211 0.008943 -0.039201 -0.000099 -0.003537 0.000100 1Rh 5dxz -0.011288 -0.012785 -0.019003 -0.012741 0.003775 -0.000231 1Rh 5dyz 0.002135 -0.004035 0.021613 -0.000370 -0.002524 0.000531 1Rh 5dx2y2 0.012732 -0.007039 -0.027559 -0.008608 -0.002874 0.000658 1Rh 5dxy -0.012617 0.002472 -0.002294 0.002594 0.011943 0.000210 1Rh 1f0 0.000443 -0.000304 0.000290 -0.001983 -0.001004 0.000129 1Rh 1f+1 0.000191 0.000291 -0.000464 -0.001224 0.000197 0.000041 1Rh 1f-1 0.000992 0.000537 -0.000212 0.001180 -0.002265 0.000105 1Rh 1f+2 0.000034 -0.001068 -0.000265 -0.001513 -0.000743 0.000098 1Rh 1f-2 0.000738 -0.000356 0.000211 0.000089 -0.001081 0.000062 1Rh 1f+3 -0.000222 0.000548 0.000516 0.000559 -0.000240 0.000011 1Rh 1f-3 0.000419 -0.000153 0.000149 0.000026 0.001268 -0.000085 2C 1s -0.000388 -0.000351 0.000219 -0.000551 0.000307 -0.000172 2C 2s -0.000826 -0.000754 0.000466 -0.001235 0.000737 -0.000367 2C 3s 0.000826 0.000943 -0.000644 0.001476 -0.000756 0.000514 2C 4s 0.005081 0.003711 -0.002618 0.007418 -0.004925 0.001750 2C 5s 0.006300 0.009491 -0.005557 -0.002497 0.017093 0.004111 2C 1pz -0.052253 -0.044935 -0.066048 0.081941 0.032593 0.055810 2C 1px 0.141034 0.124583 -0.043122 0.049976 0.026332 0.036064 2C 1py 0.022456 0.019021 0.119511 -0.116925 -0.097915 -0.098704 2C 2pz -0.039244 -0.033488 -0.051941 0.066767 0.022935 0.043990 2C 2px 0.110933 0.097846 -0.033288 0.039371 0.019833 0.028180 2C 2py 0.018736 0.015621 0.092717 -0.090403 -0.078626 -0.077944 2C 3pz -0.015011 -0.013479 -0.027569 0.028863 0.016300 0.020602 2C 3px 0.050155 0.044469 -0.016912 0.019299 0.008468 0.012848 2C 3py 0.009318 0.009752 0.043333 -0.039971 -0.031080 -0.032429 2C 1dz2 0.000549 0.000488 0.001684 -0.001878 -0.002267 -0.002231 2C 1dxz -0.004629 -0.004126 0.004605 -0.005153 -0.003988 -0.004517 2C 1dyz 0.002882 0.002557 -0.000825 0.001947 -0.000025 0.001258 2C 1dx2y2 0.004901 0.004257 0.002135 -0.002965 -0.001642 -0.002504 2C 1dxy -0.002440 -0.002048 -0.005068 0.005699 0.003733 0.004543 2C 2dz2 0.002101 0.001792 0.002771 -0.003718 -0.004422 -0.004867 2C 2dxz -0.004457 -0.003984 0.003439 -0.003982 -0.003558 -0.004181 2C 2dyz 0.002667 0.002350 -0.001187 0.003490 -0.000486 0.002189 2C 2dx2y2 0.002562 0.002168 0.002943 -0.004713 -0.002217 -0.004165 2C 2dxy -0.002784 -0.002422 -0.003628 0.003919 0.002270 0.003137 2C 1f0 0.000665 0.000576 0.000665 -0.000943 -0.000761 -0.001029 2C 1f+1 -0.000064 -0.000067 -0.000204 0.000236 -0.000112 0.000021 2C 1f-1 -0.000109 -0.000116 -0.000008 0.000204 -0.000329 -0.000035 2C 1f+2 -0.000487 -0.000420 0.000186 -0.000584 -0.000103 -0.000514 2C 1f-2 -0.000469 -0.000430 0.000328 -0.000359 -0.000340 -0.000378 2C 1f+3 -0.000074 -0.000052 0.000306 -0.000241 -0.000322 -0.000263 2C 1f-3 0.000482 0.000433 -0.000256 0.000471 0.000128 0.000378 3C 1s 0.000265 -0.000320 -0.000292 -0.000253 -0.000631 -0.000187 3C 2s 0.000572 -0.000688 -0.000621 -0.000612 -0.001406 -0.000404 3C 3s -0.000851 0.000983 0.000808 0.000439 0.001767 0.000711 3C 4s -0.001514 0.001939 0.002792 0.005693 0.006955 0.000496 3C 5s -0.010077 0.009799 0.012902 -0.022295 0.006001 0.016066 3C 1pz 0.041970 -0.049660 -0.120235 0.095162 -0.119897 -0.099716 3C 1px -0.122332 0.144712 -0.024891 0.025815 -0.021245 -0.021809 3C 1py -0.026527 0.031480 -0.072434 0.037258 -0.090786 -0.061470 3C 2pz 0.033243 -0.039303 -0.092932 0.076207 -0.092656 -0.078593 3C 2px -0.095947 0.113704 -0.019900 0.022047 -0.016586 -0.017826 3C 2py -0.020785 0.025040 -0.056685 0.026141 -0.072790 -0.047852 3C 3pz 0.013200 -0.016026 -0.044212 0.029198 -0.043024 -0.032209 3C 3px -0.046564 0.052895 -0.007626 0.006881 -0.005886 -0.006119 3C 3py -0.008274 0.008999 -0.031222 0.017255 -0.034954 -0.024797 3C 1dz2 -0.000829 0.001004 -0.001579 0.000726 -0.001357 -0.000703 3C 1dxz 0.005698 -0.006812 0.002383 -0.001803 0.003199 0.002622 3C 1dyz 0.003074 -0.003632 -0.004043 0.002563 -0.005422 -0.004121 3C 1dx2y2 0.000019 -0.000041 0.004799 -0.004525 0.005209 0.004888 3C 1dxy -0.001087 0.001270 0.002764 -0.002619 0.002656 0.002494 3C 2dz2 -0.001515 0.001846 0.001069 -0.002254 0.002628 0.003260 3C 2dxz 0.005148 -0.006200 0.002490 -0.001689 0.003806 0.003241 3C 2dyz 0.002933 -0.003449 -0.003388 0.001219 -0.005569 -0.004098 3C 2dx2y2 0.000467 -0.000644 0.004188 -0.005296 0.004774 0.005610 3C 2dxy -0.002354 0.002895 0.001989 -0.002560 0.001476 0.001995 3C 1f0 -0.000135 0.000171 0.000546 -0.000618 0.000522 0.000580 3C 1f+1 -0.000518 0.000608 0.000217 -0.000184 0.000397 0.000366 3C 1f-1 0.000059 -0.000070 -0.000593 0.000588 -0.001020 -0.001015 3C 1f+2 0.000119 -0.000159 -0.000026 -0.000141 -0.000114 0.000021 3C 1f-2 0.000084 -0.000091 -0.000097 -0.000034 -0.000377 -0.000269 3C 1f+3 0.000514 -0.000610 0.000284 0.000093 0.000430 0.000166 3C 1f-3 0.000751 -0.000905 0.000020 -0.000324 0.000019 0.000245 4C 1s 0.000107 0.000137 -0.000143 -0.000761 0.001215 0.000048 4C 2s 0.000237 0.000297 -0.000319 -0.001721 0.002740 0.000108 4C 3s -0.000842 -0.000834 0.000691 0.004542 -0.007513 -0.000414 4C 4s 0.001098 0.000499 0.000389 -0.006748 0.011989 0.001298 4C 5s -0.005902 -0.008987 0.004713 -0.001218 -0.013522 -0.006410 4C 1pz 0.019310 0.015997 0.009834 -0.042286 -0.007213 -0.037670 4C 1px -0.045914 -0.040483 0.006837 -0.022706 -0.011106 -0.024358 4C 1py -0.006179 -0.005373 -0.021268 0.048065 0.049990 0.065226 4C 2pz 0.013384 0.010714 0.006929 -0.033058 -0.008318 -0.031377 4C 2px -0.022647 -0.020263 0.004126 -0.017567 -0.008954 -0.020363 4C 2py -0.000957 -0.001059 -0.014879 0.039637 0.038973 0.053336 4C 3pz 0.006796 0.006440 0.000617 -0.011002 0.006297 -0.006505 4C 3px -0.000012 0.001122 0.003500 -0.008927 -0.000880 -0.007411 4C 3py 0.004370 0.003934 -0.018774 0.018954 0.022973 0.020790 4C 1dz2 0.003633 0.003331 0.004226 -0.004416 -0.005043 -0.004851 4C 1dxz -0.006819 -0.006256 0.002332 -0.002411 -0.003168 -0.002720 4C 1dyz 0.000282 0.000057 -0.002244 0.003444 0.001195 0.002658 4C 1dx2y2 0.000115 -0.000241 0.003024 -0.005454 -0.001196 -0.003678 4C 1dxy -0.005314 -0.004151 -0.000217 0.000268 0.000637 0.000211 4C 2dz2 0.003967 0.003670 0.011164 -0.011057 -0.008742 -0.009158 4C 2dxz -0.009503 -0.008959 0.006092 -0.005860 -0.006146 -0.005433 4C 2dyz 0.000386 0.000038 -0.005553 0.004855 0.005214 0.004899 4C 2dx2y2 0.001948 0.001255 0.007735 -0.010752 -0.002805 -0.006872 4C 2dxy -0.006742 -0.005274 -0.001464 0.001219 0.002947 0.001444 4C 1f0 -0.001143 -0.000914 -0.001090 0.001470 0.000535 0.000966 4C 1f+1 0.000972 0.000774 -0.001304 0.002169 0.000593 0.001667 4C 1f-1 -0.000186 -0.000251 0.000082 -0.000238 -0.000141 -0.000206 4C 1f+2 0.000996 0.000851 -0.000350 -0.000312 0.000497 -0.000177 4C 1f-2 0.001067 0.000982 0.000912 -0.001556 -0.001131 -0.001720 4C 1f+3 0.001256 0.001239 -0.000878 0.001686 0.001211 0.001760 4C 1f-3 0.000452 0.000404 0.001507 -0.001844 -0.002146 -0.002210 5C 1s -0.000223 0.000187 0.000224 -0.001204 -0.000774 0.000173 5C 2s -0.000480 0.000399 0.000493 -0.002717 -0.001750 0.000385 5C 3s 0.000736 -0.000793 -0.001477 0.007985 0.003955 -0.001531 5C 4s 0.001789 0.000352 0.001868 -0.014511 -0.003532 0.003725 5C 5s 0.009503 -0.008343 -0.009253 0.015682 -0.005284 -0.011490 5C 1pz -0.014524 0.017115 0.022362 -0.048851 0.050001 0.066141 5C 1px 0.039741 -0.047364 0.004302 -0.014307 0.007499 0.014528 5C 1py 0.008812 -0.011057 0.010431 -0.009996 0.046329 0.042105 5C 2pz -0.006924 0.008708 0.016017 -0.038505 0.040716 0.054222 5C 2px 0.018466 -0.023397 0.002415 -0.010302 0.007040 0.011793 5C 2py 0.004209 -0.006047 0.006006 -0.009910 0.035589 0.034784 5C 3pz -0.003175 0.003466 0.019689 -0.021438 0.021920 0.023373 5C 3px 0.000418 0.000821 0.005732 -0.008295 0.004898 0.007408 5C 3py 0.005315 -0.005853 0.000755 0.006073 0.011326 0.004190 5C 1dz2 -0.001878 0.002568 0.003935 -0.002757 0.005656 0.004598 5C 1dxz 0.002973 -0.004099 0.001959 -0.001151 0.003524 0.002488 5C 1dyz 0.002686 -0.003155 -0.002476 0.001795 -0.003579 -0.002852 5C 1dx2y2 0.003184 -0.003836 0.003414 -0.004929 0.002979 0.004005 5C 1dxy -0.005921 0.006561 0.000589 -0.001615 -0.000146 0.000546 5C 2dz2 -0.002426 0.003390 0.009320 -0.004313 0.011228 0.007703 5C 2dxz 0.004209 -0.006169 0.004820 -0.002894 0.006739 0.004622 5C 2dyz 0.003648 -0.004749 -0.007169 0.007271 -0.006630 -0.006341 5C 2dx2y2 0.003663 -0.004706 0.009578 -0.009334 0.008492 0.008296 5C 2dxy -0.007047 0.008159 0.002594 -0.002569 0.001840 0.001691 5C 1f0 0.000594 -0.000646 -0.000565 0.001007 -0.000641 -0.000899 5C 1f+1 -0.000411 0.000427 -0.001615 0.002047 -0.002151 -0.002403 5C 1f-1 -0.000508 0.000524 0.000478 -0.000085 0.000063 -0.000253 5C 1f+2 -0.001310 0.001506 0.001217 -0.001444 0.002005 0.002040 5C 1f-2 0.000255 -0.000178 0.000381 -0.000538 -0.000056 0.000071 5C 1f+3 -0.001122 0.001503 0.000394 0.000343 0.000749 0.000275 5C 1f-3 -0.001001 0.001232 -0.001396 0.000866 -0.002446 -0.001974 6C 1s -0.000222 0.000195 0.000219 0.001196 0.000779 0.000167 6C 2s -0.000477 0.000418 0.000483 0.002699 0.001759 0.000374 6C 3s 0.000740 -0.000823 -0.001472 -0.007983 -0.003952 -0.001511 6C 4s 0.001758 0.000244 0.001953 0.014688 0.003399 0.003744 6C 5s 0.009657 -0.008467 -0.009135 -0.015586 0.005140 -0.011432 6C 1pz 0.014972 -0.017297 -0.022270 -0.049029 0.049792 -0.066062 6C 1px -0.040901 0.048017 -0.004195 -0.014307 0.007443 -0.014503 6C 1py -0.009144 0.011189 -0.010501 -0.010244 0.046305 -0.042229 6C 2pz 0.007090 -0.008811 -0.015912 -0.038617 0.040526 -0.054139 6C 2px -0.018791 0.023719 -0.002387 -0.010304 0.007039 -0.011810 6C 2py -0.004367 0.006159 -0.006073 -0.010119 0.035583 -0.034891 6C 3pz 0.003267 -0.003512 -0.019562 -0.021428 0.021807 -0.023320 6C 3px -0.000546 -0.000662 -0.005720 -0.008287 0.004898 -0.007427 6C 3py -0.005425 0.005848 -0.000891 0.005848 0.011353 -0.004224 6C 1dz2 -0.001940 0.002603 0.003929 0.002782 -0.005641 0.004607 6C 1dxz 0.003081 -0.004157 0.001968 0.001174 -0.003528 0.002496 6C 1dyz 0.002776 -0.003207 -0.002478 -0.001813 0.003573 -0.002856 6C 1dx2y2 0.003287 -0.003891 0.003395 0.004936 -0.002958 0.003989 6C 1dxy -0.006112 0.006668 0.000601 0.001616 0.000143 0.000536 6C 2dz2 -0.002461 0.003418 0.009310 0.004360 -0.011194 0.007712 6C 2dxz 0.004352 -0.006256 0.004881 0.002974 -0.006788 0.004664 6C 2dyz 0.003764 -0.004817 -0.007170 -0.007331 0.006614 -0.006329 6C 2dx2y2 0.003764 -0.004745 0.009549 0.009337 -0.008447 0.008276 6C 2dxy -0.007248 0.008325 0.002599 0.002558 -0.001828 0.001669 6C 1f0 -0.000608 0.000653 0.000563 0.001008 -0.000635 0.000893 6C 1f+1 0.000421 -0.000434 0.001615 0.002060 -0.002151 0.002408 6C 1f-1 0.000529 -0.000534 -0.000481 -0.000086 0.000064 0.000254 6C 1f+2 0.001363 -0.001534 -0.001218 -0.001453 0.001999 -0.002038 6C 1f-2 -0.000273 0.000185 -0.000380 -0.000542 -0.000055 -0.000070 6C 1f+3 0.001170 -0.001531 -0.000395 0.000341 0.000746 -0.000279 6C 1f-3 0.001049 -0.001253 0.001392 0.000873 -0.002438 0.001975 7C 1s 0.000098 0.000124 -0.000143 0.000756 -0.001212 0.000050 7C 2s 0.000217 0.000270 -0.000318 0.001708 -0.002734 0.000112 7C 3s -0.000817 -0.000791 0.000681 -0.004531 0.007485 -0.000407 7C 4s 0.001196 0.000609 0.000345 0.006773 -0.011942 0.001247 7C 5s -0.006697 -0.009442 0.003921 0.000215 0.012862 -0.005603 7C 1pz -0.020141 -0.016505 -0.009928 -0.042457 -0.007340 0.038020 7C 1px 0.047997 0.041717 -0.006734 -0.022658 -0.011050 0.024442 7C 1py 0.006338 0.005411 0.021072 0.047863 0.049795 -0.065408 7C 2pz -0.013820 -0.010980 -0.007065 -0.033249 -0.008457 0.031699 7C 2px 0.023443 0.020801 -0.004044 -0.017510 -0.008911 0.020418 7C 2py 0.000886 0.000992 0.014710 0.039470 0.038792 -0.053483 7C 3pz -0.007269 -0.006724 -0.000990 -0.011840 0.005820 0.007088 7C 3px 0.000281 -0.000939 -0.003446 -0.008938 -0.000885 0.007439 7C 3py -0.004658 -0.004117 0.018504 0.018425 0.022711 -0.020576 7C 1dz2 0.003804 0.003429 0.004221 0.004427 0.005040 -0.004883 7C 1dxz -0.007163 -0.006459 0.002302 0.002397 0.003147 -0.002727 7C 1dyz 0.000304 0.000071 -0.002201 -0.003401 -0.001163 0.002627 7C 1dx2y2 0.000118 -0.000236 0.003036 0.005471 0.001208 -0.003717 7C 1dxy -0.005570 -0.004307 -0.000223 -0.000260 -0.000634 0.000213 7C 2dz2 0.004136 0.003789 0.011120 0.011050 0.008733 -0.009209 7C 2dxz -0.009950 -0.009227 0.006018 0.005817 0.006103 -0.005437 7C 2dyz 0.000411 0.000059 -0.005466 -0.004772 -0.005157 0.004844 7C 2dx2y2 0.002017 0.001290 0.007807 0.010856 0.002886 -0.007007 7C 2dxy -0.006994 -0.005424 -0.001482 -0.001212 -0.002936 0.001454 7C 1f0 0.001209 0.000954 0.001089 0.001471 0.000536 -0.000974 7C 1f+1 -0.001041 -0.000815 0.001294 0.002168 0.000593 -0.001677 7C 1f-1 0.000212 0.000267 -0.000066 -0.000223 -0.000130 0.000197 7C 1f+2 -0.001045 -0.000880 0.000341 -0.000320 0.000491 0.000186 7C 1f-2 -0.001141 -0.001023 -0.000904 -0.001552 -0.001127 0.001724 7C 1f+3 -0.001331 -0.001283 0.000870 0.001680 0.001205 -0.001767 7C 1f-3 -0.000468 -0.000415 -0.001507 -0.001848 -0.002146 0.002223 8C 1s 0.000281 -0.000331 -0.000285 0.000253 0.000624 -0.000185 8C 2s 0.000606 -0.000713 -0.000609 0.000611 0.001391 -0.000401 8C 3s -0.000901 0.001015 0.000804 -0.000415 -0.001762 0.000719 8C 4s -0.001643 0.002077 0.002653 -0.005830 -0.006790 0.000407 8C 5s -0.010011 0.009612 0.012901 0.022269 -0.006092 0.016212 8C 1pz -0.043549 0.050585 0.120120 0.095665 -0.119526 0.099664 8C 1px 0.127072 -0.147168 0.024622 0.025886 -0.021077 0.021750 8C 1py 0.027674 -0.032016 0.072458 0.037755 -0.090674 0.061637 8C 2pz -0.034473 0.039968 0.092881 0.076650 -0.092408 0.078577 8C 2px 0.099674 -0.115636 0.019704 0.022124 -0.016471 0.017780 8C 2py 0.021677 -0.025412 0.056669 0.026473 -0.072667 0.047974 8C 3pz -0.013808 0.016469 0.044133 0.029374 -0.042851 0.032154 8C 3px 0.048284 -0.053788 0.007478 0.006932 -0.005740 0.006069 8C 3py 0.008674 -0.009171 0.031154 0.017379 -0.034849 0.024842 8C 1dz2 -0.000779 0.000923 -0.001575 -0.000730 0.001351 -0.000701 8C 1dxz 0.005895 -0.006896 0.002485 0.001903 -0.003314 0.002724 8C 1dyz 0.003237 -0.003752 -0.004001 -0.002553 0.005360 -0.004084 8C 1dx2y2 -0.000032 0.000022 0.004744 0.004510 -0.005140 0.004841 8C 1dxy -0.001175 0.001348 0.002808 0.002666 -0.002699 0.002533 8C 2dz2 -0.001496 0.001790 0.001080 0.002277 -0.002626 0.003265 8C 2dxz 0.005312 -0.006261 0.002554 0.001753 -0.003871 0.003311 8C 2dyz 0.003068 -0.003560 -0.003364 -0.001213 0.005526 -0.004081 8C 2dx2y2 0.000463 -0.000639 0.004171 0.005319 -0.004747 0.005594 8C 2dxy -0.002463 0.002962 0.002026 0.002601 -0.001508 0.002021 8C 1f0 0.000149 -0.000183 -0.000547 -0.000623 0.000522 -0.000580 8C 1f+1 0.000535 -0.000616 -0.000209 -0.000178 0.000387 -0.000357 8C 1f-1 -0.000065 0.000077 0.000597 0.000596 -0.001021 0.001019 8C 1f+2 -0.000118 0.000157 0.000034 -0.000137 -0.000122 -0.000014 8C 1f-2 -0.000082 0.000088 0.000095 -0.000034 -0.000372 0.000267 8C 1f+3 -0.000522 0.000605 -0.000286 0.000091 0.000433 -0.000170 8C 1f-3 -0.000784 0.000927 -0.000028 -0.000331 0.000030 -0.000253 9C 1s -0.000417 -0.000370 0.000200 0.000533 -0.000318 -0.000158 9C 2s -0.000887 -0.000792 0.000425 0.001195 -0.000761 -0.000337 9C 3s 0.000879 0.000975 -0.000577 -0.001422 0.000792 0.000465 9C 4s 0.005402 0.003907 -0.002447 -0.007228 0.005031 0.001657 9C 5s 0.007094 0.009963 -0.004979 0.003649 -0.016419 0.003232 9C 1pz 0.055062 0.046614 0.066502 0.082454 0.033052 -0.056508 9C 1px -0.149129 -0.129336 0.042691 0.049849 0.026221 -0.036198 9C 1py -0.023541 -0.019665 -0.118808 -0.116473 -0.097656 0.098967 9C 2pz 0.041377 0.034777 0.052211 0.067080 0.023252 -0.044490 9C 2px -0.117247 -0.101551 0.032970 0.039303 0.019763 -0.028303 9C 2py -0.019561 -0.016073 -0.092276 -0.090148 -0.078506 0.078226 9C 3pz 0.015838 0.013991 0.027550 0.028709 0.016306 -0.020625 9C 3px -0.053227 -0.046235 0.016638 0.019052 0.008305 -0.012771 9C 3py -0.009855 -0.010074 -0.043079 -0.039910 -0.031065 0.032573 9C 1dz2 0.000601 0.000524 0.001632 0.001833 0.002226 -0.002205 9C 1dxz -0.005019 -0.004390 0.004540 0.005107 0.003946 -0.004503 9C 1dyz 0.003028 0.002636 -0.000678 -0.001788 0.000140 0.001128 9C 1dx2y2 0.005153 0.004398 0.002360 0.003216 0.001811 -0.002720 9C 1dxy -0.002353 -0.001940 -0.005031 -0.005669 -0.003708 0.004542 9C 2dz2 0.002173 0.001824 0.002780 0.003742 0.004421 -0.004905 9C 2dxz -0.004809 -0.004226 0.003393 0.003963 0.003518 -0.004173 9C 2dyz 0.002782 0.002403 -0.001047 -0.003349 0.000592 0.002074 9C 2dx2y2 0.002720 0.002265 0.003072 0.004855 0.002313 -0.004314 9C 2dxy -0.002793 -0.002392 -0.003555 -0.003847 -0.002218 0.003089 9C 1f0 -0.000689 -0.000588 -0.000675 -0.000959 -0.000767 0.001046 9C 1f+1 0.000046 0.000051 0.000193 0.000223 -0.000118 -0.000012 9C 1f-1 0.000109 0.000115 0.000013 0.000207 -0.000327 0.000034 9C 1f+2 0.000511 0.000433 -0.000173 -0.000572 -0.000094 0.000505 9C 1f-2 0.000503 0.000452 -0.000318 -0.000352 -0.000335 0.000375 9C 1f+3 0.000109 0.000082 -0.000318 -0.000255 -0.000329 0.000275 9C 1f-3 -0.000520 -0.000459 0.000236 0.000454 0.000109 -0.000363 10H 1s 0.079658 0.070074 -0.012851 0.011935 0.012154 0.010907 10H 2s 0.112706 0.099308 -0.019360 0.018187 0.018195 0.016480 10H 3s 0.043302 0.036863 -0.006870 0.006382 0.007889 0.007075 10H 1pz 0.004492 0.003997 -0.003393 0.003725 0.002099 0.002708 10H 1px -0.004981 -0.004416 0.000291 0.000083 -0.000702 -0.000193 10H 1py 0.002835 0.002494 0.003835 -0.003795 -0.003071 -0.003189 11H 1s -0.027035 -0.024589 0.069966 -0.078387 -0.048831 -0.060961 11H 2s -0.038583 -0.034882 0.101837 -0.115591 -0.072576 -0.090415 11H 3s -0.012830 -0.013803 0.034914 -0.044347 -0.029768 -0.038454 11H 1pz -0.004343 -0.003839 0.004195 -0.004068 -0.003100 -0.003125 11H 1px 0.002294 0.002007 0.005525 -0.005867 -0.003870 -0.004510 11H 1py 0.002705 0.002371 -0.000593 0.001271 -0.000081 0.000692 12H 1s -0.050487 -0.043904 -0.058250 0.059529 0.047240 0.050250 12H 2s -0.071586 -0.062380 -0.083796 0.086674 0.068446 0.073169 12H 3s -0.026657 -0.021960 -0.031003 0.037475 0.027189 0.032755 12H 1pz -0.000120 -0.000054 -0.000397 0.000800 -0.000522 0.000116 12H 1px 0.001679 0.001510 -0.005285 0.005477 0.003839 0.004296 12H 1py -0.005906 -0.005167 -0.003568 0.003410 0.002626 0.002649 13H 1s -0.067096 0.079475 0.021144 -0.017880 0.019901 0.017476 13H 2s -0.093748 0.110887 0.031124 -0.026313 0.029469 0.025736 13H 3s -0.033861 0.042099 0.009323 -0.009194 0.009768 0.009577 13H 1pz -0.004966 0.005844 -0.001990 0.001469 -0.002223 -0.001793 13H 1px 0.002356 -0.002756 -0.003035 0.002684 -0.002734 -0.002472 13H 1py 0.002434 -0.002899 -0.003608 0.002117 -0.004019 -0.002836 14H 1s 0.049480 -0.058683 0.052338 -0.042763 0.054087 0.045978 14H 2s 0.069825 -0.082559 0.075258 -0.061788 0.078840 0.066953 14H 3s 0.025041 -0.031594 0.026736 -0.025210 0.031658 0.028489 14H 1pz 0.005141 -0.006069 -0.000334 0.000276 -0.000446 -0.000413 14H 1px 0.002126 -0.002486 0.005879 -0.004378 0.005986 0.004764 14H 1py 0.000288 -0.000300 -0.001358 0.000263 -0.001816 -0.000922 15H 1s 0.016784 -0.019749 -0.072111 0.050313 -0.081137 -0.062974 15H 2s 0.023681 -0.028054 -0.105390 0.075107 -0.120181 -0.093871 15H 3s 0.010117 -0.010732 -0.036408 0.031913 -0.045134 -0.040611 15H 1pz -0.000109 0.000153 0.002856 -0.001542 0.003714 0.002548 15H 1px -0.003927 0.004616 -0.003080 0.002361 -0.003074 -0.002490 15H 1py -0.002889 0.003430 0.005791 -0.004205 0.005758 0.004441 16H 1s -0.006857 -0.002617 -0.000207 -0.000111 0.000685 0.000020 16H 2s -0.007823 -0.003785 -0.000916 0.001231 -0.001621 0.000199 16H 3s -0.000365 0.003288 -0.000493 -0.000577 0.000957 -0.000035 16H 1pz -0.000453 -0.000281 0.000011 0.000017 -0.000334 -0.000016 16H 1px -0.002010 0.000025 0.000022 0.000042 0.000079 -0.000005 16H 1py -0.000525 -0.000450 -0.000177 0.000265 0.000102 0.000020 17H 1s -0.005659 0.004811 -0.000184 0.000737 0.000286 0.000054 17H 2s -0.006106 0.006491 -0.001690 -0.001014 -0.001311 0.000246 17H 3s -0.000956 -0.002518 -0.000819 0.001162 0.000609 -0.000090 17H 1pz 0.001413 -0.000550 -0.000027 0.000001 0.000204 -0.000058 17H 1px -0.001325 0.000216 0.000126 0.000144 0.000243 -0.000030 17H 1py -0.000550 0.000633 -0.000165 -0.000108 0.000078 0.000014 18H 1s -0.005441 0.005170 -0.000144 -0.000738 -0.000273 0.000062 18H 2s -0.005868 0.006953 -0.001720 0.001033 0.001270 0.000252 18H 3s -0.001047 -0.002432 -0.000873 -0.001197 -0.000592 -0.000065 18H 1pz -0.001391 0.000625 0.000027 0.000001 0.000200 0.000059 18H 1px 0.001318 -0.000234 -0.000143 0.000148 0.000238 0.000030 18H 1py 0.000524 -0.000605 0.000164 -0.000099 0.000081 -0.000016 19H 1s -0.006856 -0.002234 -0.000200 0.000092 -0.000690 0.000019 19H 2s -0.007767 -0.003264 -0.000803 -0.001174 0.001647 0.000202 19H 3s -0.000208 0.003376 -0.000415 0.000591 -0.000977 -0.000026 19H 1pz 0.000447 0.000236 -0.000026 0.000009 -0.000336 0.000013 19H 1px 0.002008 -0.000082 -0.000014 0.000051 0.000080 0.000005 19H 1py 0.000574 0.000476 0.000179 0.000272 0.000099 -0.000025 20H 1s 0.017898 -0.020728 -0.071959 -0.050585 0.080806 -0.062891 20H 2s 0.025222 -0.029404 -0.105153 -0.075489 0.119671 -0.093725 20H 3s 0.010649 -0.011136 -0.036411 -0.032137 0.045028 -0.040629 20H 1pz 0.000164 -0.000219 -0.002850 -0.001555 0.003702 -0.002547 20H 1px 0.004044 -0.004652 0.003145 0.002427 -0.003145 0.002552 20H 1py 0.003047 -0.003549 -0.005747 -0.004199 0.005697 -0.004403 21H 1s 0.051057 -0.059235 0.052585 0.043285 -0.054334 0.046304 21H 2s 0.072050 -0.083323 0.075630 0.062564 -0.079218 0.067444 21H 3s 0.025823 -0.031864 0.026888 0.025484 -0.031836 0.028679 21H 1pz -0.005352 0.006187 0.000270 0.000223 -0.000374 0.000356 21H 1px -0.002138 0.002439 -0.005893 -0.004420 0.005996 -0.004783 21H 1py -0.000304 0.000315 0.001339 0.000255 -0.001791 0.000906 22H 1s -0.069826 0.081000 0.020678 0.017564 -0.019276 0.016995 22H 2s -0.097623 0.113097 0.030417 0.025833 -0.028523 0.025003 22H 3s -0.035287 0.042873 0.009056 0.009011 -0.009352 0.009253 22H 1pz 0.005132 -0.005912 0.002049 0.001529 -0.002284 0.001847 22H 1px -0.002496 0.002862 0.002983 0.002659 -0.002671 0.002426 22H 1py -0.002573 0.003008 0.003594 0.002128 -0.003993 0.002829 23H 1s -0.052390 -0.044785 -0.058809 -0.060249 -0.047712 0.051109 23H 2s -0.074368 -0.063701 -0.084612 -0.087760 -0.069150 0.074459 23H 3s -0.027593 -0.022379 -0.031344 -0.037957 -0.027480 0.033382 23H 1pz 0.000113 0.000049 0.000361 0.000759 -0.000549 -0.000083 23H 1px -0.001931 -0.001698 0.005189 0.005403 0.003772 -0.004257 23H 1py 0.006184 0.005315 0.003709 0.003562 0.002729 -0.002780 24H 1s -0.029765 -0.026476 0.069289 0.077918 0.048456 -0.060911 24H 2s -0.042469 -0.037550 0.100869 0.114885 0.072032 -0.090344 24H 3s -0.014235 -0.014814 0.034658 0.044192 0.029569 -0.038453 24H 1pz 0.004682 0.004061 -0.004080 -0.003968 -0.003026 0.003066 24H 1px -0.002264 -0.001949 -0.005580 -0.005940 -0.003912 0.004590 24H 1py -0.002900 -0.002495 0.000472 0.001146 -0.000165 -0.000598 25H 1s 0.084343 0.072874 -0.011591 -0.010762 -0.011294 0.010041 25H 2s 0.119302 0.103233 -0.017512 -0.016449 -0.016942 0.015207 25H 3s 0.045595 0.038244 -0.006285 -0.005824 -0.007463 0.006622 25H 1pz -0.004818 -0.004205 0.003307 0.003652 0.002054 -0.002671 25H 1px 0.005264 0.004581 -0.000139 0.000232 -0.000595 0.000079 25H 1py -0.002876 -0.002487 -0.003858 -0.003819 -0.003097 0.003227 26O 1s -0.001519 -0.001437 -0.000085 0.001230 -0.001549 -0.000011 26O 2s -0.003558 -0.003376 -0.000195 0.002974 -0.003770 -0.000030 26O 3s 0.004485 0.004368 0.000150 -0.005016 0.006761 0.000099 26O 4s 0.008863 0.008150 0.001314 -0.005940 0.005215 -0.000367 26O 5s 0.012568 0.013063 0.002081 -0.005418 0.004958 0.000153 26O 1pz -0.005306 -0.009473 0.036282 -0.051167 -0.048205 -0.054874 26O 1px 0.067812 0.056325 0.023468 -0.032948 -0.029893 -0.033989 26O 1py 0.014084 0.021399 -0.056468 0.099181 0.054041 0.088239 26O 2pz -0.003816 -0.007575 0.029907 -0.043308 -0.039696 -0.045985 26O 2px 0.055290 0.045746 0.019078 -0.028286 -0.023614 -0.028513 26O 2py 0.011742 0.017813 -0.047284 0.083254 0.046700 0.074609 26O 3pz -0.005338 -0.006947 0.021210 -0.028720 -0.025451 -0.030508 26O 3px 0.032221 0.025888 0.011908 -0.021491 -0.007872 -0.018158 26O 3py 0.004066 0.009184 -0.030123 0.049421 0.030902 0.045552 26O 1dz2 0.000764 0.000663 0.000416 -0.000025 -0.000379 -0.000059 26O 1dxz -0.000061 -0.000010 -0.000383 0.000975 0.000667 0.001053 26O 1dyz -0.000018 0.000039 -0.000374 0.000522 0.000172 0.000370 26O 1dx2y2 -0.000980 -0.000857 -0.000476 0.001048 0.001094 0.001329 26O 1dxy -0.000769 -0.000744 0.000794 -0.001610 -0.000821 -0.001497 26O 2dz2 0.002305 0.001883 0.001759 -0.001754 -0.001120 -0.000955 26O 2dxz 0.000787 0.000723 -0.000624 0.001941 0.001577 0.002515 26O 2dyz 0.001372 0.001438 -0.001484 0.002005 0.001732 0.001767 26O 2dx2y2 -0.002477 -0.002276 -0.000576 0.002244 0.001779 0.003064 26O 2dxy -0.001147 -0.001183 0.002321 -0.004623 -0.002813 -0.004393 26O 1f0 -0.000145 -0.000103 0.000014 0.000187 0.000125 0.000268 26O 1f+1 -0.000413 -0.000381 0.000021 -0.000067 0.000011 -0.000043 26O 1f-1 -0.000289 -0.000261 0.000245 -0.000472 -0.000218 -0.000433 26O 1f+2 0.000258 0.000135 0.000347 -0.000591 -0.000409 -0.000597 26O 1f-2 0.000058 0.000060 0.000252 -0.000406 -0.000240 -0.000375 26O 1f+3 -0.000203 -0.000084 -0.000541 0.001062 0.000778 0.001158 26O 1f-3 -0.000516 -0.000447 0.000204 -0.000454 -0.000290 -0.000474 27O 1s 0.001546 -0.001802 -0.000087 0.001500 0.001296 0.000124 27O 2s 0.003628 -0.004223 -0.000223 0.003654 0.003128 0.000291 27O 3s -0.004613 0.005269 0.000552 -0.006641 -0.005184 -0.000304 27O 4s -0.009619 0.011465 -0.000413 -0.004689 -0.006276 -0.001258 27O 5s -0.012517 0.015940 -0.001622 -0.005507 -0.008682 -0.003885 27O 1pz 0.007487 -0.018224 0.055619 -0.061732 0.090110 0.087249 27O 1px -0.060459 0.069866 0.009765 -0.004551 0.019258 0.013992 27O 1py -0.001247 -0.005208 0.040695 -0.057272 0.052801 0.061889 27O 2pz 0.005778 -0.014690 0.046367 -0.052441 0.075776 0.073625 27O 2px -0.049267 0.056430 0.008651 -0.005754 0.016060 0.012621 27O 2py -0.001224 -0.004291 0.033474 -0.047055 0.044650 0.051766 27O 3pz 0.004885 -0.010883 0.028939 -0.031491 0.045679 0.044816 27O 3px -0.026549 0.031557 0.005551 -0.010299 0.006417 0.008162 27O 3py -0.003335 -0.000856 0.023573 -0.029563 0.029603 0.034078 27O 1dz2 -0.000674 0.000750 0.000526 -0.000189 0.000514 0.000319 27O 1dxz -0.000233 0.000316 -0.000763 0.001284 -0.001572 -0.001775 27O 1dyz 0.000067 -0.000066 -0.000034 -0.000280 0.000124 0.000300 27O 1dx2y2 0.001152 -0.001340 -0.000007 -0.000077 -0.000647 -0.000477 27O 1dxy -0.000268 0.000380 -0.000576 0.000863 -0.001087 -0.001202 27O 2dz2 -0.001209 0.001044 0.002305 -0.001963 0.002889 0.002159 27O 2dxz -0.001275 0.001491 -0.001838 0.003005 -0.004268 -0.004812 27O 2dyz 0.001095 -0.001297 -0.000372 0.000191 0.000272 0.000645 27O 2dx2y2 0.002950 -0.003489 0.000566 0.000032 -0.000402 -0.000800 27O 2dxy 0.000691 -0.000710 -0.001526 0.002575 -0.002914 -0.003330 27O 1f0 -0.000083 0.000158 -0.000314 0.000549 -0.000621 -0.000738 27O 1f+1 0.000344 -0.000452 -0.000090 0.000110 -0.000215 -0.000195 27O 1f-1 -0.000068 0.000116 -0.000309 0.000303 -0.000360 -0.000349 27O 1f+2 -0.000035 -0.000016 0.000463 -0.000596 0.000828 0.000899 27O 1f-2 -0.000108 0.000204 -0.000264 0.000393 -0.000445 -0.000509 27O 1f+3 0.000430 -0.000444 -0.000249 0.000315 -0.000508 -0.000547 27O 1f-3 -0.000275 0.000374 -0.000279 0.000434 -0.000607 -0.000678 28O 1s 0.001882 0.001462 -0.000008 0.001217 -0.001562 0.000112 28O 2s 0.004391 0.003398 -0.000022 0.002956 -0.003788 0.000272 28O 3s -0.005080 -0.003787 0.000091 -0.005179 0.006604 -0.000462 28O 4s -0.014314 -0.011133 -0.000200 -0.004756 0.005902 -0.000556 28O 5s -0.017277 -0.015946 0.001994 -0.006839 0.006956 -0.001694 28O 1pz -0.041716 -0.031790 0.032453 -0.037819 -0.046066 -0.049308 28O 1px 0.062226 0.056842 0.018541 -0.026616 -0.020565 -0.028587 28O 1py 0.004881 -0.002756 -0.049333 0.076536 0.047649 0.078097 28O 2pz -0.032782 -0.024656 0.026993 -0.032864 -0.037410 -0.041526 28O 2px 0.049432 0.045200 0.015592 -0.022147 -0.018276 -0.024358 28O 2py 0.004238 -0.002351 -0.041825 0.065010 0.041394 0.066491 28O 3pz -0.018107 -0.014731 0.018610 -0.022467 -0.020168 -0.025774 28O 3px 0.026675 0.025370 0.010254 -0.009668 -0.016164 -0.015253 28O 3py 0.003013 -0.002149 -0.024621 0.037185 0.023808 0.039660 28O 1dz2 -0.000098 -0.000062 -0.000112 0.000851 0.000512 0.000975 28O 1dxz -0.001393 -0.001181 0.000403 -0.000243 -0.000646 -0.000478 28O 1dyz 0.000018 0.000049 0.000274 -0.000720 -0.000686 -0.000920 28O 1dx2y2 0.000986 0.000866 0.000478 -0.000621 -0.000152 -0.000467 28O 1dxy -0.000067 -0.000097 -0.000670 0.001306 0.000862 0.001408 28O 2dz2 -0.001588 -0.001195 0.000423 0.000933 0.001022 0.001929 28O 2dxz -0.002498 -0.002011 0.001709 -0.002084 -0.001826 -0.002006 28O 2dyz -0.001756 -0.001501 0.000461 -0.001941 -0.000927 -0.002284 28O 2dx2y2 0.002537 0.002312 0.001926 -0.002408 -0.001790 -0.002127 28O 2dxy 0.000180 0.000098 -0.002073 0.003971 0.002914 0.004325 28O 1f0 0.000147 0.000216 0.000266 -0.000374 -0.000285 -0.000473 28O 1f+1 0.000326 0.000257 -0.000293 0.000640 0.000466 0.000751 28O 1f-1 0.000024 0.000045 0.000020 0.000020 0.000100 0.000102 28O 1f+2 -0.000512 -0.000462 0.000167 -0.000132 -0.000177 -0.000174 28O 1f-2 0.000076 0.000134 0.000433 -0.000768 -0.000558 -0.000881 28O 1f+3 -0.000213 -0.000157 -0.000098 0.000163 0.000093 0.000128 28O 1f-3 0.000111 0.000135 0.000331 -0.000659 -0.000497 -0.000752 29O 1s -0.001533 0.000296 -0.000064 0.000083 0.000073 0.000007 29O 2s -0.003681 0.000715 -0.000159 0.000203 0.000168 0.000020 29O 3s 0.005717 -0.001158 0.000287 -0.000375 -0.000241 -0.000073 29O 4s 0.008082 -0.001298 -0.000032 -0.000255 -0.000920 0.000222 29O 5s 0.008476 -0.002326 0.002686 -0.000565 0.003593 -0.000836 29O 1pz 0.016096 0.007542 0.000609 0.000316 -0.001827 -0.000020 29O 1px -0.037512 0.009643 -0.001322 0.002754 0.003428 0.000261 29O 1py 0.004744 -0.002138 -0.000317 0.000122 0.000725 -0.000090 29O 2pz 0.013301 0.005677 0.000540 0.000131 -0.001599 -0.000046 29O 2px -0.031418 0.007852 -0.001065 0.002311 0.003299 0.000118 29O 2py 0.003682 -0.001677 -0.000366 0.000263 0.000933 -0.000052 29O 3pz 0.009499 0.003191 0.000689 0.003216 -0.002089 0.000020 29O 3px -0.023112 0.005487 -0.000219 0.002913 0.001520 0.000538 29O 3py 0.001214 -0.000748 -0.001135 -0.000932 -0.003039 0.000146 29O 1dz2 -0.000075 -0.000176 -0.000016 -0.000008 0.000009 -0.000001 29O 1dxz 0.000084 0.000189 -0.000009 0.000015 -0.000023 0.000002 29O 1dyz -0.000200 -0.000187 0.000004 0.000025 0.000015 -0.000001 29O 1dx2y2 -0.000097 0.000084 -0.000004 0.000023 0.000025 0.000003 29O 1dxy 0.000472 -0.000185 0.000027 -0.000026 -0.000041 -0.000003 29O 2dz2 -0.000366 -0.000515 -0.000179 -0.000092 0.000211 -0.000006 29O 2dxz 0.000233 0.000601 -0.000006 0.000145 0.000016 -0.000023 29O 2dyz -0.000910 -0.000370 0.000026 -0.000373 0.000169 0.000021 29O 2dx2y2 -0.000080 0.000215 -0.000224 0.000082 0.000013 -0.000001 29O 2dxy 0.002316 -0.000645 -0.000017 -0.000284 -0.000192 -0.000002 29O 1f0 0.000221 0.000032 -0.000029 0.000006 -0.000052 0.000001 29O 1f+1 -0.000122 0.000129 0.000027 0.000014 0.000017 0.000002 29O 1f-1 0.000074 0.000028 0.000002 0.000013 -0.000042 0.000000 29O 1f+2 -0.000103 -0.000018 0.000010 0.000007 0.000021 0.000002 29O 1f-2 -0.000020 -0.000090 -0.000035 -0.000026 0.000003 0.000004 29O 1f+3 -0.000052 0.000056 -0.000022 0.000015 0.000017 0.000001 29O 1f-3 -0.000190 0.000070 -0.000012 0.000032 0.000037 0.000001 30O 1s -0.001313 0.001719 0.000138 0.001514 0.001285 -0.000107 30O 2s -0.003050 0.004010 0.000308 0.003697 0.003097 -0.000278 30O 3s 0.003471 -0.004749 -0.000076 -0.006856 -0.005039 0.000748 30O 4s 0.009376 -0.011919 -0.002617 -0.003934 -0.006782 -0.000825 30O 5s 0.010979 -0.016879 -0.003955 -0.005819 -0.007644 -0.000835 30O 1pz 0.029670 -0.026866 0.049284 -0.041673 0.085660 0.079500 30O 1px -0.051094 0.062256 0.011364 -0.008460 0.017677 0.014776 30O 1py -0.022570 0.033473 0.039050 -0.046482 0.050743 0.057452 30O 2pz 0.024278 -0.021333 0.042310 -0.037021 0.072790 0.067945 30O 2px -0.041125 0.050054 0.008867 -0.006076 0.014924 0.012166 30O 2py -0.017958 0.026541 0.031967 -0.037619 0.043195 0.048132 30O 3pz 0.014084 -0.011414 0.025589 -0.024017 0.040241 0.040509 30O 3px -0.024495 0.028126 0.003899 0.001899 0.011765 0.006380 30O 3py -0.011162 0.017089 0.021476 -0.020491 0.030054 0.030782 30O 1dz2 0.000318 -0.000401 -0.000317 0.000827 -0.001141 -0.001334 30O 1dxz 0.000830 -0.000966 0.000701 -0.000488 0.001306 0.001155 30O 1dyz 0.000419 -0.000521 -0.000146 -0.000061 0.000094 0.000175 30O 1dx2y2 -0.000459 0.000584 0.000160 -0.000037 -0.000262 -0.000242 30O 1dxy -0.000833 0.001065 0.000640 -0.000969 0.000893 0.001119 30O 2dz2 0.000593 -0.000562 -0.000238 0.001639 -0.002173 -0.003080 30O 2dxz 0.002149 -0.002287 0.002752 -0.002868 0.004522 0.004210 30O 2dyz -0.000465 0.000522 -0.000399 0.000405 0.000088 0.000221 30O 2dx2y2 -0.002060 0.002609 0.001037 -0.000147 0.000735 -0.000003 30O 2dxy -0.001973 0.002354 0.001647 -0.001992 0.003041 0.003125 30O 1f0 -0.000193 0.000268 0.000072 -0.000022 0.000132 0.000129 30O 1f+1 -0.000070 0.000012 -0.000402 0.000591 -0.000867 -0.000970 30O 1f-1 -0.000071 -0.000007 -0.000477 0.000467 -0.000776 -0.000817 30O 1f+2 0.000146 -0.000149 0.000251 -0.000232 0.000460 0.000437 30O 1f-2 0.000466 -0.000520 0.000002 -0.000016 0.000106 0.000113 30O 1f+3 -0.000146 0.000204 0.000092 -0.000207 0.000316 0.000388 30O 1f-3 0.000369 -0.000407 -0.000180 0.000282 -0.000344 -0.000376 31O 1s -0.001330 0.001718 0.000138 -0.001508 -0.001279 -0.000107 31O 2s -0.003089 0.004006 0.000307 -0.003683 -0.003082 -0.000277 31O 3s 0.003503 -0.004718 -0.000079 0.006828 0.005025 0.000736 31O 4s 0.009525 -0.011976 -0.002574 0.003936 0.006689 -0.000768 31O 5s 0.011105 -0.016971 -0.003938 0.005769 0.007667 -0.000872 31O 1pz -0.030631 0.027376 -0.049082 -0.042027 0.085407 -0.079669 31O 1px 0.052515 -0.062993 -0.011387 -0.008571 0.017666 -0.014819 31O 1py 0.023485 -0.033921 -0.038863 -0.046624 0.050448 -0.057397 31O 2pz -0.025055 0.021739 -0.042131 -0.037323 0.072576 -0.068083 31O 2px 0.042295 -0.050653 -0.008895 -0.006171 0.014924 -0.012215 31O 2py 0.018686 -0.026885 -0.031823 -0.037744 0.042961 -0.048104 31O 3pz -0.014553 0.011597 -0.025493 -0.024181 0.040102 -0.040582 31O 3px 0.025278 -0.028437 -0.003949 0.001829 0.011773 -0.006453 31O 3py 0.011605 -0.017295 -0.021373 -0.020565 0.029879 -0.030759 31O 1dz2 0.000323 -0.000404 -0.000316 -0.000830 0.001137 -0.001333 31O 1dxz 0.000859 -0.000982 0.000698 0.000493 -0.001303 0.001158 31O 1dyz 0.000426 -0.000527 -0.000147 0.000060 -0.000093 0.000174 31O 1dx2y2 -0.000476 0.000593 0.000160 0.000037 0.000261 -0.000242 31O 1dxy -0.000864 0.001079 0.000638 0.000972 -0.000888 0.001117 31O 2dz2 0.000610 -0.000566 -0.000235 -0.001649 0.002166 -0.003081 31O 2dxz 0.002233 -0.002320 0.002741 0.002888 -0.004507 0.004213 31O 2dyz -0.000480 0.000524 -0.000402 -0.000409 -0.000078 0.000213 31O 2dx2y2 -0.002138 0.002646 0.001041 0.000151 -0.000739 0.000006 31O 2dxy -0.002049 0.002378 0.001645 0.002002 -0.003031 0.003128 31O 1f0 0.000203 -0.000272 -0.000071 -0.000022 0.000130 -0.000129 31O 1f+1 0.000071 -0.000013 0.000400 0.000594 -0.000864 0.000970 31O 1f-1 0.000073 0.000005 0.000474 0.000470 -0.000773 0.000818 31O 1f+2 -0.000149 0.000151 -0.000250 -0.000234 0.000458 -0.000437 31O 1f-2 -0.000479 0.000526 -0.000001 -0.000017 0.000105 -0.000113 31O 1f+3 0.000147 -0.000205 -0.000092 -0.000209 0.000315 -0.000389 31O 1f-3 -0.000380 0.000412 0.000180 0.000284 -0.000343 0.000376 32O 1s -0.001485 0.000439 -0.000055 -0.000083 -0.000072 0.000008 32O 2s -0.003566 0.001059 -0.000136 -0.000204 -0.000167 0.000022 32O 3s 0.005529 -0.001714 0.000249 0.000373 0.000237 -0.000076 32O 4s 0.007858 -0.002003 -0.000073 0.000277 0.000928 0.000210 32O 5s 0.008141 -0.003261 0.002598 0.000477 -0.003599 -0.000837 32O 1pz -0.016008 -0.007077 -0.000646 0.000245 -0.001856 0.000020 32O 1px 0.037245 -0.010861 0.001217 0.002880 0.003406 -0.000294 32O 1py -0.004371 0.003031 0.000384 0.000193 0.000717 0.000092 32O 2pz -0.013226 -0.005295 -0.000583 0.000072 -0.001622 0.000045 32O 2px 0.031196 -0.008862 0.000974 0.002421 0.003279 -0.000146 32O 2py -0.003373 0.002411 0.000419 0.000333 0.000926 0.000052 32O 3pz -0.009520 -0.002938 -0.000857 0.003134 -0.002109 -0.000021 32O 3px 0.022921 -0.006222 0.000112 0.002967 0.001493 -0.000550 32O 3py -0.001003 0.001245 0.001158 -0.000900 -0.003044 -0.000140 32O 1dz2 -0.000070 -0.000166 -0.000016 0.000009 -0.000008 -0.000001 32O 1dxz 0.000081 0.000196 -0.000009 -0.000014 0.000023 0.000002 32O 1dyz -0.000206 -0.000182 0.000005 -0.000025 -0.000014 -0.000001 32O 1dx2y2 -0.000100 0.000085 -0.000005 -0.000024 -0.000025 0.000003 32O 1dxy 0.000466 -0.000200 0.000026 0.000027 0.000041 -0.000003 32O 2dz2 -0.000349 -0.000506 -0.000185 0.000070 -0.000206 -0.000009 32O 2dxz 0.000210 0.000615 0.000001 -0.000154 -0.000015 -0.000022 32O 2dyz -0.000916 -0.000346 0.000009 0.000368 -0.000185 0.000018 32O 2dx2y2 -0.000102 0.000199 -0.000222 -0.000093 -0.000012 -0.000000 32O 2dxy 0.002295 -0.000713 -0.000030 0.000282 0.000188 -0.000004 32O 1f0 -0.000215 -0.000026 0.000028 0.000004 -0.000049 -0.000002 32O 1f+1 0.000121 -0.000134 -0.000030 0.000015 0.000017 -0.000002 32O 1f-1 -0.000080 -0.000021 -0.000001 0.000014 -0.000044 -0.000001 32O 1f+2 0.000109 0.000013 -0.000010 0.000008 0.000023 -0.000002 32O 1f-2 0.000030 0.000090 0.000036 -0.000024 0.000005 -0.000004 32O 1f+3 0.000045 -0.000059 0.000021 0.000014 0.000016 -0.000001 32O 1f-3 0.000183 -0.000079 0.000011 0.000032 0.000036 -0.000001 33O 1s 0.001924 0.001493 0.000003 -0.001202 0.001566 0.000104 33O 2s 0.004485 0.003469 0.000004 -0.002920 0.003796 0.000255 33O 3s -0.005152 -0.003851 0.000062 0.005132 -0.006611 -0.000441 33O 4s -0.014729 -0.011412 -0.000315 0.004629 -0.005950 -0.000474 33O 5s -0.017604 -0.016236 0.001862 0.006614 -0.007084 -0.001589 33O 1pz 0.043717 0.032959 -0.032141 -0.037804 -0.045904 0.049513 33O 1px -0.064995 -0.058523 -0.018576 -0.026731 -0.020567 0.028736 33O 1py -0.004705 0.002857 0.048911 0.076317 0.047369 -0.078132 33O 2pz 0.034384 0.025594 -0.026779 -0.032899 -0.037312 0.041737 33O 2px -0.051676 -0.046559 -0.015598 -0.022222 -0.018260 0.024468 33O 2py -0.004125 0.002409 0.041461 0.064814 0.041155 -0.066520 33O 3pz 0.018918 0.015165 -0.018316 -0.022334 -0.019992 0.025798 33O 3px -0.027997 -0.026090 -0.010239 -0.009652 -0.016111 0.015285 33O 3py -0.003000 0.002191 0.024438 0.037119 0.023682 -0.039663 33O 1dz2 -0.000107 -0.000068 -0.000110 -0.000851 -0.000511 0.000981 33O 1dxz -0.001459 -0.001222 0.000398 0.000245 0.000645 -0.000482 33O 1dyz 0.000011 0.000047 0.000270 0.000716 0.000681 -0.000920 33O 1dx2y2 0.001033 0.000896 0.000478 0.000622 0.000152 -0.000468 33O 1dxy -0.000078 -0.000104 -0.000665 -0.001303 -0.000859 0.001412 33O 2dz2 -0.001661 -0.001236 0.000417 -0.000936 -0.001023 0.001941 33O 2dxz -0.002636 -0.002092 0.001707 0.002097 0.001831 -0.002033 33O 2dyz -0.001835 -0.001549 0.000456 0.001932 0.000919 -0.002289 33O 2dx2y2 0.002676 0.002396 0.001924 0.002414 0.001790 -0.002138 33O 2dxy 0.000188 0.000105 -0.002051 -0.003957 -0.002897 0.004330 33O 1f0 -0.000157 -0.000222 -0.000264 -0.000374 -0.000283 0.000474 33O 1f+1 -0.000338 -0.000263 0.000292 0.000642 0.000466 -0.000756 33O 1f-1 -0.000023 -0.000045 -0.000020 0.000019 0.000099 -0.000100 33O 1f+2 0.000538 0.000477 -0.000166 -0.000134 -0.000178 0.000177 33O 1f-2 -0.000079 -0.000136 -0.000428 -0.000763 -0.000553 0.000880 33O 1f+3 0.000227 0.000165 0.000099 0.000163 0.000093 -0.000129 33O 1f-3 -0.000117 -0.000138 -0.000329 -0.000658 -0.000496 0.000755 34O 1s 0.001551 -0.001810 -0.000088 -0.001499 -0.001293 0.000127 34O 2s 0.003637 -0.004241 -0.000224 -0.003652 -0.003124 0.000298 34O 3s -0.004607 0.005282 0.000544 0.006630 0.005184 -0.000324 34O 4s -0.009646 0.011510 -0.000362 0.004726 0.006218 -0.001222 34O 5s -0.012548 0.016152 -0.001736 0.005446 0.008818 -0.004033 34O 1pz -0.007769 0.018448 -0.055697 -0.062217 0.089955 -0.087224 34O 1px 0.062134 -0.070829 -0.009978 -0.004757 0.019366 -0.014113 34O 1py 0.000985 0.005262 -0.040681 -0.057484 0.052639 -0.061743 34O 2pz -0.006004 0.014875 -0.046412 -0.052838 0.075632 -0.073596 34O 2px 0.050676 -0.057226 -0.008829 -0.005926 0.016155 -0.012722 34O 2py 0.001002 0.004342 -0.033469 -0.047235 0.044521 -0.051651 34O 3pz -0.005193 0.011046 -0.029043 -0.031769 0.045623 -0.044801 34O 3px 0.027354 -0.031811 -0.005679 -0.010404 0.006525 -0.008231 34O 3py 0.003399 0.000751 -0.023533 -0.029658 0.029462 -0.033959 34O 1dz2 -0.000690 0.000761 0.000529 0.000193 -0.000514 0.000321 34O 1dxz -0.000241 0.000323 -0.000763 -0.001292 0.001568 -0.001774 34O 1dyz 0.000077 -0.000070 -0.000034 0.000281 -0.000124 0.000300 34O 1dx2y2 0.001187 -0.001362 -0.000011 0.000073 0.000649 -0.000481 34O 1dxy -0.000276 0.000385 -0.000576 -0.000867 0.001085 -0.001201 34O 2dz2 -0.001243 0.001062 0.002312 0.001978 -0.002886 0.002159 34O 2dxz -0.001317 0.001517 -0.001830 -0.003021 0.004251 -0.004810 34O 2dyz 0.001140 -0.001316 -0.000377 -0.000196 -0.000269 0.000644 34O 2dx2y2 0.003061 -0.003541 0.000554 -0.000041 0.000412 -0.000809 34O 2dxy 0.000707 -0.000718 -0.001526 -0.002591 0.002909 -0.003329 34O 1f0 0.000086 -0.000161 0.000314 0.000552 -0.000619 0.000737 34O 1f+1 -0.000356 0.000456 0.000091 0.000112 -0.000216 0.000197 34O 1f-1 0.000070 -0.000117 0.000309 0.000305 -0.000359 0.000348 34O 1f+2 0.000032 0.000017 -0.000462 -0.000599 0.000825 -0.000898 34O 1f-2 0.000111 -0.000208 0.000265 0.000397 -0.000445 0.000509 34O 1f+3 -0.000443 0.000451 0.000252 0.000319 -0.000508 0.000548 34O 1f-3 0.000284 -0.000378 0.000279 0.000436 -0.000605 0.000678 35O 1s -0.001522 -0.001429 -0.000074 -0.001216 0.001552 -0.000015 35O 2s -0.003562 -0.003354 -0.000169 -0.002942 0.003777 -0.000040 35O 3s 0.004455 0.004305 0.000117 0.004970 -0.006766 0.000110 35O 4s 0.008873 0.008122 0.001190 0.005828 -0.005266 -0.000297 35O 5s 0.012727 0.013109 0.002166 0.005358 -0.004966 0.000085 35O 1pz 0.005439 0.009568 -0.036267 -0.051350 -0.048188 0.055414 35O 1px -0.070541 -0.057870 -0.023469 -0.032923 -0.029856 0.034225 35O 1py -0.015218 -0.022070 0.056343 0.099121 0.053904 -0.088750 35O 2pz 0.003913 0.007647 -0.029914 -0.043487 -0.039701 0.046458 35O 2px -0.057571 -0.047036 -0.019088 -0.028277 -0.023599 0.028720 35O 2py -0.012690 -0.018371 0.047154 0.083169 0.046565 -0.075016 35O 3pz 0.005759 0.007205 -0.021038 -0.028593 -0.025300 0.030670 35O 3px -0.033477 -0.026524 -0.011813 -0.021415 -0.007834 0.018243 35O 3py -0.004379 -0.009317 0.030178 0.049511 0.030896 -0.045890 35O 1dz2 0.000806 0.000687 0.000418 0.000027 0.000379 -0.000061 35O 1dxz -0.000062 -0.000009 -0.000383 -0.000980 -0.000668 0.001063 35O 1dyz -0.000005 0.000046 -0.000373 -0.000523 -0.000172 0.000374 35O 1dx2y2 -0.001021 -0.000881 -0.000475 -0.001047 -0.001092 0.001337 35O 1dxy -0.000807 -0.000768 0.000790 0.001607 0.000817 -0.001502 35O 2dz2 0.002419 0.001944 0.001764 0.001763 0.001126 -0.000977 35O 2dxz 0.000825 0.000746 -0.000627 -0.001951 -0.001579 0.002539 35O 2dyz 0.001457 0.001483 -0.001476 -0.002005 -0.001730 0.001778 35O 2dx2y2 -0.002605 -0.002343 -0.000568 -0.002233 -0.001772 0.003075 35O 2dxy -0.001219 -0.001224 0.002312 0.004616 0.002801 -0.004410 35O 1f0 0.000148 0.000105 -0.000014 0.000189 0.000125 -0.000271 35O 1f+1 0.000431 0.000391 -0.000021 -0.000067 0.000012 0.000044 35O 1f-1 0.000299 0.000268 -0.000244 -0.000471 -0.000217 0.000435 35O 1f+2 -0.000264 -0.000139 -0.000348 -0.000593 -0.000410 0.000603 35O 1f-2 -0.000060 -0.000060 -0.000252 -0.000408 -0.000241 0.000380 35O 1f+3 0.000208 0.000086 0.000540 0.001060 0.000777 -0.001164 35O 1f-3 0.000541 0.000460 -0.000202 -0.000452 -0.000288 0.000475 96 97 98 99 100 101 -0.34665 -0.34247 -0.33804 -0.33597 -0.33076 -0.30719 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s 0.000021 -0.001529 -0.000031 -0.000610 0.005338 0.000092 0Rh 2s -0.000103 0.005922 0.000111 0.002288 -0.020239 -0.000343 0Rh 3s 0.000059 -0.005179 -0.000112 -0.002113 0.018346 0.000318 0Rh 4s 0.000449 -0.025243 -0.000467 -0.009701 0.086042 0.001461 0Rh 5s -0.000492 0.019961 0.000322 0.006941 -0.066132 -0.001105 0Rh 6s -0.000204 0.037394 0.000892 0.017202 -0.137447 -0.002407 0Rh 7s -0.001907 -0.027176 -0.001588 -0.021489 0.162230 0.003708 0Rh 8s 0.009879 -0.011380 0.000800 -0.020395 -0.019764 -0.000376 0Rh 1pz 0.000436 -0.000119 -0.000129 -0.002364 -0.000583 0.000331 0Rh 1px -0.000103 0.000617 -0.000032 0.007222 0.001950 0.000247 0Rh 1py -0.000248 0.000581 -0.000056 0.001171 0.000326 -0.000378 0Rh 2pz -0.001475 0.000403 0.000440 0.008003 0.001990 -0.001118 0Rh 2px 0.000344 -0.002090 0.000109 -0.024449 -0.006655 -0.000836 0Rh 2py 0.000839 -0.001971 0.000194 -0.003952 -0.001112 0.001280 0Rh 3pz 0.001172 -0.000349 -0.000386 -0.006437 -0.001889 0.000852 0Rh 3px -0.000228 0.001810 -0.000096 0.019620 0.006365 0.000634 0Rh 3py -0.000692 0.001676 -0.000232 0.002927 0.001081 -0.001012 0Rh 4pz 0.001952 -0.000531 -0.000500 -0.010433 -0.001536 0.001705 0Rh 4px -0.000616 0.002563 -0.000119 0.032005 0.004958 0.001215 0Rh 4py -0.001004 0.002503 -0.000025 0.006070 0.000737 -0.001730 0Rh 5pz -0.000016 0.000394 -0.000001 0.000337 -0.001839 -0.000699 0Rh 5px 0.000350 -0.001472 0.000022 -0.001661 0.006327 -0.000127 0Rh 5py -0.000170 -0.001797 -0.000185 -0.002777 0.001471 0.000049 0Rh 6pz -0.004211 0.001120 0.001861 -0.000977 0.007044 0.003237 0Rh 6px -0.003616 0.006409 -0.000382 0.014959 -0.032265 -0.002578 0Rh 6py 0.001696 0.043529 0.002939 0.033034 -0.015808 0.001917 0Rh 1dz2 0.057717 -0.021713 0.029924 -0.009203 -0.012822 -0.021366 0Rh 1dxz 0.026277 -0.035078 -0.001614 -0.021355 -0.015653 0.001212 0Rh 1dyz -0.029378 0.000120 0.072293 0.002052 -0.003445 -0.054261 0Rh 1dx2y2 0.038746 0.052328 0.009679 0.034486 0.024533 -0.008152 0Rh 1dxy 0.005346 0.004487 0.027703 -0.011747 0.014372 -0.018524 0Rh 2dz2 -0.001590 0.000616 -0.000770 0.000239 0.000387 0.000650 0Rh 2dxz -0.000755 0.000994 0.000029 0.000585 0.000460 -0.000036 0Rh 2dyz 0.000799 0.000003 -0.001880 -0.000061 0.000097 0.001648 0Rh 2dx2y2 -0.001061 -0.001460 -0.000259 -0.000928 -0.000710 0.000240 0Rh 2dxy -0.000148 -0.000139 -0.000709 0.000344 -0.000408 0.000576 0Rh 3dz2 -0.083908 0.031219 -0.043254 0.013244 0.018353 0.030734 0Rh 3dxz -0.038174 0.050614 0.002367 0.030902 0.022469 -0.001740 0Rh 3dyz 0.042770 -0.000248 -0.104428 -0.003040 0.004981 0.078111 0Rh 3dx2y2 -0.056365 -0.075384 -0.013978 -0.049868 -0.035177 0.011793 0Rh 3dxy -0.007798 -0.006270 -0.040069 0.017200 -0.020785 0.026581 0Rh 4dz2 -0.112956 0.042730 -0.058820 0.018016 0.025478 0.042858 0Rh 4dxz -0.051441 0.068782 0.003090 0.041758 0.030981 -0.002429 0Rh 4dyz 0.057301 -0.000162 -0.142234 -0.003910 0.006740 0.108651 0Rh 4dx2y2 -0.075721 -0.102822 -0.019075 -0.067509 -0.048631 0.016176 0Rh 4dxy -0.010418 -0.008963 -0.054461 0.022881 -0.028141 0.037348 0Rh 5dz2 -0.080989 0.028606 -0.043004 0.014105 0.019033 0.027104 0Rh 5dxz -0.036810 0.046614 0.002534 0.031157 0.023778 -0.001602 0Rh 5dyz 0.041883 -0.000388 -0.103405 -0.002753 0.005074 0.069178 0Rh 5dx2y2 -0.054664 -0.069371 -0.013862 -0.050464 -0.037012 0.010847 0Rh 5dxy -0.007397 -0.005827 -0.039718 0.015447 -0.021421 0.022897 0Rh 1f0 0.000194 -0.000161 -0.000683 -0.001108 0.001300 0.001269 0Rh 1f+1 -0.000337 -0.000633 0.000892 0.000559 -0.000837 -0.001507 0Rh 1f-1 -0.000028 -0.001111 -0.000927 -0.000253 0.000087 0.001619 0Rh 1f+2 -0.000275 -0.000329 -0.000586 0.001325 -0.001658 0.001124 0Rh 1f-2 0.000166 -0.001596 0.001961 -0.000238 -0.000174 -0.003236 0Rh 1f+3 0.000309 0.000315 -0.000159 0.001827 -0.002043 0.000211 0Rh 1f-3 0.000076 -0.002092 -0.001165 -0.000022 -0.000634 0.001932 1Rh 1s -0.000022 -0.001539 -0.000030 0.000568 0.005341 -0.000088 1Rh 2s 0.000105 0.005961 0.000106 -0.002128 -0.020250 0.000328 1Rh 3s -0.000061 -0.005211 -0.000108 0.001970 0.018355 -0.000305 1Rh 4s -0.000456 -0.025412 -0.000448 0.009020 0.086088 -0.001396 1Rh 5s 0.000498 0.020104 0.000307 -0.006418 -0.066164 0.001054 1Rh 6s 0.000217 0.037643 0.000859 -0.016144 -0.137533 0.002311 1Rh 7s 0.001883 -0.027557 -0.001563 0.020485 0.162365 -0.003608 1Rh 8s -0.009859 -0.011855 0.000897 0.020473 -0.019405 0.000242 1Rh 1pz 0.000453 0.000149 0.000112 -0.002365 0.000589 0.000299 1Rh 1px -0.000098 -0.000728 0.000065 0.007194 -0.001912 0.000230 1Rh 1py -0.000246 -0.000595 0.000039 0.001159 -0.000306 -0.000374 1Rh 2pz -0.001534 -0.000503 -0.000380 0.008008 -0.002009 -0.001012 1Rh 2px 0.000329 0.002465 -0.000221 -0.024354 0.006528 -0.000776 1Rh 2py 0.000832 0.002020 -0.000135 -0.003911 0.001046 0.001266 1Rh 3pz 0.001218 0.000419 0.000336 -0.006440 0.001908 0.000768 1Rh 3px -0.000218 -0.002115 0.000185 0.019554 -0.006259 0.000587 1Rh 3py -0.000680 -0.001709 0.000184 0.002893 -0.001033 -0.001004 1Rh 4pz 0.002033 0.000697 0.000427 -0.010446 0.001547 0.001561 1Rh 4px -0.000588 -0.003032 0.000266 0.031840 -0.004799 0.001135 1Rh 4py -0.001014 -0.002589 -0.000052 0.006016 -0.000632 -0.001700 1Rh 5pz -0.000019 -0.000484 -0.000001 0.000392 0.001869 -0.000692 1Rh 5px 0.000341 0.001432 -0.000030 -0.001557 -0.006328 -0.000128 1Rh 5py -0.000137 0.001856 0.000182 -0.002757 -0.001515 0.000045 1Rh 6pz -0.004379 0.000051 -0.001825 -0.002770 -0.007428 0.003405 1Rh 6px -0.003655 -0.006061 0.000462 0.014120 0.032281 -0.002426 1Rh 6py 0.001592 -0.044287 -0.002774 0.032746 0.016180 0.001762 1Rh 1dz2 -0.057836 -0.022149 0.029916 0.009095 -0.012775 0.021400 1Rh 1dxz -0.026314 -0.035073 -0.001575 0.020700 -0.015685 -0.001274 1Rh 1dyz 0.029272 0.000195 0.072464 -0.002395 -0.003528 0.054265 1Rh 1dx2y2 -0.038702 0.053248 0.009480 -0.034156 0.024420 0.008114 1Rh 1dxy -0.005410 0.004381 0.027713 0.011562 0.014473 0.018513 1Rh 2dz2 0.001593 0.000627 -0.000769 -0.000235 0.000385 -0.000650 1Rh 2dxz 0.000754 0.000995 0.000028 -0.000566 0.000460 0.000037 1Rh 2dyz -0.000796 0.000002 -0.001883 0.000070 0.000099 -0.001647 1Rh 2dx2y2 0.001058 -0.001484 -0.000253 0.000918 -0.000706 -0.000240 1Rh 2dxy 0.000150 -0.000137 -0.000709 -0.000338 -0.000410 -0.000574 1Rh 3dz2 0.084080 0.031855 -0.043243 -0.013095 0.018289 -0.030788 1Rh 3dxz 0.038235 0.050606 0.002310 -0.029955 0.022522 0.001831 1Rh 3dyz -0.042617 -0.000359 -0.104684 0.003535 0.005105 -0.078122 1Rh 3dx2y2 0.056307 -0.076727 -0.013691 0.049401 -0.035022 -0.011733 1Rh 3dxy 0.007891 -0.006113 -0.040087 -0.016932 -0.020935 -0.026573 1Rh 4dz2 0.113205 0.043590 -0.058809 -0.017802 0.025391 -0.042920 1Rh 4dxz 0.051502 0.068807 0.003012 -0.040488 0.031043 0.002546 1Rh 4dyz -0.057098 -0.000302 -0.142579 0.004585 0.006900 -0.108668 1Rh 4dx2y2 0.075633 -0.104654 -0.018686 0.066871 -0.048416 -0.016114 1Rh 4dxy 0.010546 -0.008775 -0.054483 -0.022512 -0.028338 -0.037315 1Rh 5dz2 0.081095 0.029191 -0.042978 -0.013958 0.018933 -0.027159 1Rh 5dxz 0.036885 0.046511 0.002480 -0.030274 0.023794 0.001697 1Rh 5dyz -0.041696 -0.000517 -0.103602 0.003229 0.005201 -0.069147 1Rh 5dx2y2 0.054597 -0.070579 -0.013567 0.050019 -0.036792 -0.010754 1Rh 5dxy 0.007490 -0.005631 -0.039722 -0.015207 -0.021541 -0.022917 1Rh 1f0 0.000183 0.000168 0.000681 -0.001086 -0.001300 0.001293 1Rh 1f+1 -0.000346 0.000606 -0.000890 0.000600 0.000845 -0.001490 1Rh 1f-1 -0.000030 0.001107 0.000936 -0.000222 -0.000096 0.001640 1Rh 1f+2 -0.000276 0.000330 0.000590 0.001271 0.001668 0.001131 1Rh 1f-2 0.000169 0.001605 -0.001960 -0.000218 0.000171 -0.003227 1Rh 1f+3 0.000309 -0.000351 0.000168 0.001824 0.002051 0.000212 1Rh 1f-3 0.000079 0.002093 0.001166 -0.000002 0.000633 0.001923 2C 1s -0.000056 -0.000931 0.004977 -0.000294 -0.005380 -0.000176 2C 2s -0.000125 -0.002073 0.011073 -0.000678 -0.011974 -0.000402 2C 3s 0.000220 0.004569 -0.020249 0.000625 0.022152 0.000491 2C 4s 0.000418 -0.000868 -0.015748 0.003760 0.016696 0.001403 2C 5s -0.004389 0.020039 -0.049917 0.023323 -0.021117 0.016946 2C 1pz 0.009040 0.011238 -0.082437 0.002086 0.084808 -0.010536 2C 1px 0.001786 0.016678 -0.025707 0.014645 0.022342 0.031245 2C 1py -0.012833 0.012739 -0.052872 0.006579 0.053178 0.006387 2C 2pz 0.006784 0.007469 -0.064326 0.005276 0.063573 -0.008573 2C 2px 0.001424 0.011393 -0.018939 0.013527 0.016729 0.026449 2C 2py -0.009567 0.008363 -0.040951 0.006927 0.039459 0.005828 2C 3pz 0.010985 0.005299 -0.029490 0.005940 0.015615 -0.002462 2C 3px -0.002406 0.011199 -0.020560 0.004112 0.015169 0.012960 2C 3py -0.016987 0.007016 -0.018443 0.006837 0.006514 0.004046 2C 1dz2 -0.000311 0.000725 -0.002834 0.000367 0.002723 0.000357 2C 1dxz -0.000215 -0.000391 -0.001294 -0.000468 0.001507 -0.001289 2C 1dyz 0.000280 0.001018 -0.004106 0.000678 0.003944 0.000798 2C 1dx2y2 -0.000105 0.000173 0.001425 0.000367 -0.001600 0.001159 2C 1dxy 0.000153 -0.000280 -0.000719 -0.000249 0.000773 -0.000742 2C 2dz2 -0.000557 0.000295 -0.000921 0.001482 0.000580 0.000552 2C 2dxz -0.000474 -0.000881 -0.001576 -0.000290 0.001158 -0.000965 2C 2dyz 0.000334 -0.000313 -0.000679 0.001704 0.000405 0.000137 2C 2dx2y2 -0.000667 -0.000138 0.002533 0.000273 -0.002040 0.000295 2C 2dxy 0.000530 -0.000912 0.000445 -0.000084 -0.000217 -0.000952 2C 1f0 -0.000338 0.000156 -0.000086 0.000188 0.000066 0.000168 2C 1f+1 0.000180 -0.000094 -0.000514 0.000078 0.000599 -0.000146 2C 1f-1 0.000144 0.000009 -0.000396 0.000205 0.000421 0.000138 2C 1f+2 0.000027 -0.000034 0.000286 -0.000089 -0.000344 -0.000002 2C 1f-2 -0.000184 -0.000343 0.000066 -0.000055 -0.000022 -0.000217 2C 1f+3 -0.000241 -0.000039 -0.000265 0.000036 0.000299 0.000002 2C 1f-3 -0.000014 0.000133 -0.000393 0.000099 0.000442 0.000169 3C 1s -0.000089 -0.001088 -0.004819 0.000277 -0.005521 -0.000204 3C 2s -0.000211 -0.002423 -0.010699 0.000624 -0.012265 -0.000432 3C 3s 0.000305 0.005037 0.019230 -0.000120 0.022447 0.000475 3C 4s 0.000608 -0.000040 0.016353 -0.005987 0.017817 0.002393 3C 5s -0.001408 0.016727 0.046657 -0.013906 -0.019122 -0.012548 3C 1pz 0.008096 0.013497 0.039007 -0.009010 0.041889 0.011457 3C 1px 0.006252 -0.005259 0.033965 0.010151 0.039030 -0.027592 3C 1py 0.003253 -0.023152 -0.082973 0.010421 -0.088007 -0.009854 3C 2pz 0.006486 0.009255 0.031593 -0.009852 0.031740 0.009562 3C 2px 0.004191 -0.004496 0.025860 0.006784 0.029101 -0.022979 3C 2py 0.001488 -0.015514 -0.064025 0.012330 -0.065470 -0.008596 3C 3pz 0.006483 0.003787 0.006007 -0.005929 -0.002719 0.003083 3C 3px 0.014718 -0.000191 0.019567 0.003144 0.015493 -0.011825 3C 3py 0.008742 -0.010961 -0.034168 0.009142 -0.021397 -0.002675 3C 1dz2 -0.000143 -0.000341 -0.000655 0.000175 -0.000578 -0.000287 3C 1dxz 0.000215 0.001155 0.001468 -0.000843 0.001380 0.001659 3C 1dyz 0.000089 -0.000317 -0.003398 -0.000088 -0.003571 0.000782 3C 1dx2y2 -0.000323 -0.000424 -0.002682 0.000242 -0.002910 0.000009 3C 1dxy 0.000030 -0.000877 -0.002223 0.000477 -0.002260 -0.000544 3C 2dz2 -0.000296 -0.000062 0.001023 0.000560 0.001060 -0.000460 3C 2dxz -0.000251 0.001204 0.001279 -0.001288 0.000624 0.000775 3C 2dyz -0.000154 0.001368 -0.000592 0.001715 -0.000743 -0.000087 3C 2dx2y2 -0.000663 0.000556 -0.002368 0.000504 -0.002050 0.000372 3C 2dxy -0.000112 -0.000839 -0.001042 0.001297 -0.000374 -0.000873 3C 1f0 -0.000249 -0.000006 -0.000231 0.000091 -0.000239 0.000071 3C 1f+1 0.000167 -0.000059 0.000218 0.000019 0.000294 -0.000109 3C 1f-1 0.000166 0.000065 -0.000189 0.000082 -0.000258 0.000050 3C 1f+2 0.000030 0.000249 0.000006 0.000104 -0.000032 0.000059 3C 1f-2 -0.000143 -0.000116 -0.000276 0.000214 -0.000293 -0.000251 3C 1f+3 -0.000219 0.000259 0.000482 -0.000235 0.000507 0.000114 3C 1f-3 -0.000134 0.000232 -0.000548 -0.000037 -0.000726 0.000122 4C 1s -0.000141 -0.001802 0.010321 0.001642 -0.008751 -0.000017 4C 2s -0.000286 -0.004025 0.022884 0.003537 -0.019332 -0.000044 4C 3s 0.000567 0.007442 -0.040541 -0.003268 0.030344 0.000588 4C 4s -0.000403 0.004275 -0.053026 -0.028198 0.060252 -0.001911 4C 5s -0.002287 -0.000859 0.004420 -0.011101 0.052744 -0.007723 4C 1pz -0.003299 -0.007286 0.055158 -0.011149 -0.059218 -0.014292 4C 1px -0.001530 -0.013209 0.011405 -0.000909 -0.009314 0.045335 4C 1py 0.004629 -0.010334 0.038115 -0.007153 -0.039691 0.006919 4C 2pz -0.002110 -0.007183 0.045305 -0.008090 -0.043854 -0.003669 4C 2px -0.002542 -0.017027 0.008865 -0.004819 -0.004295 0.011433 4C 2py 0.003061 -0.011744 0.031360 -0.006709 -0.029290 0.000943 4C 3pz -0.007959 0.011209 -0.010686 0.008661 -0.028980 0.015727 4C 3px -0.000524 0.000385 0.005968 -0.002767 -0.012570 -0.029855 4C 3py 0.004032 0.006677 -0.005066 0.002916 -0.017614 -0.002210 4C 1dz2 -0.003131 0.001326 -0.007144 -0.000478 0.007293 -0.004174 4C 1dxz 0.003654 0.000854 -0.005946 0.001488 0.006124 0.007377 4C 1dyz 0.003735 0.001065 -0.006658 0.000377 0.006600 -0.000254 4C 1dx2y2 0.003878 -0.001455 0.008709 -0.000380 -0.009009 0.000495 4C 1dxy -0.007238 -0.000385 0.001619 0.000400 -0.001782 0.005643 4C 2dz2 -0.004687 0.004699 -0.011760 -0.001380 0.012287 -0.003771 4C 2dxz 0.005463 -0.000913 -0.010641 0.002802 0.011764 0.005790 4C 2dyz 0.005883 0.002721 -0.010822 -0.002127 0.012252 -0.000336 4C 2dx2y2 0.005637 -0.003553 0.014950 0.001028 -0.015421 0.000543 4C 2dxy -0.012187 -0.002056 0.002643 0.000583 -0.002326 0.004521 4C 1f0 -0.001274 -0.000483 -0.000174 -0.000469 0.000285 -0.002417 4C 1f+1 0.001584 0.000341 -0.000580 0.001099 0.000447 0.002530 4C 1f-1 0.000982 -0.000366 0.000586 -0.000065 -0.000730 -0.000928 4C 1f+2 0.000724 0.000714 0.000117 0.000010 -0.000210 0.001416 4C 1f-2 -0.001227 0.000217 0.000124 0.000870 -0.000303 0.003128 4C 1f+3 -0.001723 0.000662 0.000135 0.000424 -0.000371 0.002285 4C 1f-3 -0.000580 0.000406 -0.000467 0.000416 0.000380 0.000275 5C 1s 0.000002 -0.002272 -0.009985 -0.001826 -0.008959 -0.000098 5C 2s 0.000005 -0.005064 -0.022135 -0.003929 -0.019786 -0.000235 5C 3s 0.000615 0.010028 0.039428 0.003302 0.031015 0.000872 5C 4s -0.004088 0.002505 0.049875 0.033746 0.061697 -0.002703 5C 5s -0.003483 -0.002354 -0.005992 0.007073 0.050805 0.006820 5C 1pz -0.003326 -0.011973 -0.031937 0.007173 -0.035455 0.012096 5C 1px -0.001904 0.007128 -0.021393 0.006165 -0.026281 -0.044416 5C 1py 0.001185 0.016195 0.053031 -0.012234 0.058466 -0.004811 5C 2pz -0.002333 -0.014615 -0.026286 0.007874 -0.026031 0.001964 5C 2px -0.001430 0.011343 -0.017951 0.000042 -0.021121 -0.011091 5C 2py 0.000794 0.018680 0.043084 -0.011020 0.041961 0.000594 5C 3pz -0.004131 0.005410 0.008812 -0.001134 -0.010971 -0.011687 5C 3px -0.008888 -0.000026 -0.002748 -0.007824 -0.014815 0.027576 5C 3py 0.001617 -0.005692 -0.007166 0.003064 0.028641 0.010736 5C 1dz2 -0.004503 0.000532 0.002425 -0.000666 0.002716 0.002631 5C 1dxz 0.007218 0.001501 0.006239 0.000341 0.006750 -0.003267 5C 1dyz -0.000258 -0.000826 -0.004298 0.000471 -0.004362 -0.003342 5C 1dx2y2 -0.000144 -0.002164 -0.010130 0.001409 -0.010964 -0.004643 5C 1dxy 0.005597 -0.001303 -0.005336 -0.000411 -0.005839 0.006552 5C 2dz2 -0.006605 -0.000094 0.004751 -0.002745 0.004902 0.002425 5C 2dxz 0.011461 0.005978 0.010887 0.001030 0.011496 -0.001757 5C 2dyz 0.000055 -0.000446 -0.006883 -0.000854 -0.008784 -0.002514 5C 2dx2y2 -0.000529 -0.003329 -0.017503 0.000401 -0.019873 -0.004241 5C 2dxy 0.009395 -0.005880 -0.008841 -0.002386 -0.009877 0.005064 5C 1f0 -0.001416 0.000754 0.000550 -0.000373 0.000606 0.000837 5C 1f+1 0.001658 -0.000256 0.000435 -0.000157 0.000553 -0.000332 5C 1f-1 0.000892 -0.000032 0.000141 0.000434 0.000203 -0.001273 5C 1f+2 0.000615 -0.000408 0.000453 0.000856 0.000747 -0.002691 5C 1f-2 -0.001133 -0.000109 -0.000092 0.000007 0.000008 0.001311 5C 1f+3 -0.001673 -0.000911 0.000215 0.000176 0.000336 -0.002575 5C 1f-3 -0.000459 -0.000594 -0.000392 0.001210 -0.000198 -0.002748 6C 1s 0.000005 -0.002335 -0.009975 0.001888 -0.008946 0.000096 6C 2s 0.000011 -0.005202 -0.022112 0.004064 -0.019757 0.000230 6C 3s -0.000626 0.010183 0.039392 -0.003540 0.030978 -0.000872 6C 4s 0.003927 0.003428 0.049804 -0.034105 0.061530 0.002770 6C 5s 0.003239 -0.002090 -0.006161 -0.007212 0.051135 -0.007040 6C 1pz -0.003346 0.011775 0.031898 0.006986 0.035599 0.012134 6C 1px -0.001884 -0.007405 0.021345 0.006070 0.026362 -0.044501 6C 1py 0.001269 -0.015807 -0.053047 -0.011970 -0.058527 -0.004789 6C 2pz -0.002331 0.014423 0.026271 0.007749 0.026148 0.001960 6C 2px -0.001347 -0.011403 0.017900 -0.000075 0.021146 -0.011090 6C 2py 0.000829 -0.018366 -0.043116 -0.010849 -0.042009 0.000623 6C 3pz -0.004018 -0.005086 -0.008734 -0.001198 0.010809 -0.011804 6C 3px -0.008796 0.000437 0.002945 -0.008263 0.014785 0.027440 6C 3py 0.001350 0.005154 0.007139 0.003283 -0.028216 0.010950 6C 1dz2 0.004508 0.000506 0.002426 0.000652 0.002712 -0.002640 6C 1dxz -0.007217 0.001509 0.006220 -0.000377 0.006748 0.003274 6C 1dyz 0.000256 -0.000815 -0.004296 -0.000445 -0.004362 0.003347 6C 1dx2y2 0.000145 -0.002133 -0.010125 -0.001347 -0.010984 0.004649 6C 1dxy -0.005573 -0.001300 -0.005331 0.000438 -0.005826 -0.006557 6C 2dz2 0.006627 -0.000113 0.004749 0.002702 0.004871 -0.002426 6C 2dxz -0.011440 0.006038 0.010872 -0.001079 0.011466 0.001738 6C 2dyz -0.000057 -0.000508 -0.006864 0.000869 -0.008776 0.002506 6C 2dx2y2 0.000490 -0.003373 -0.017502 -0.000296 -0.019851 0.004243 6C 2dxy -0.009353 -0.005930 -0.008851 0.002490 -0.009846 -0.005056 6C 1f0 -0.001416 -0.000746 -0.000554 -0.000365 -0.000608 0.000838 6C 1f+1 0.001653 0.000259 -0.000433 -0.000155 -0.000558 -0.000332 6C 1f-1 0.000891 0.000025 -0.000137 0.000433 -0.000200 -0.001275 6C 1f+2 0.000614 0.000391 -0.000449 0.000853 -0.000739 -0.002696 6C 1f-2 -0.001133 0.000104 0.000091 0.000005 -0.000007 0.001310 6C 1f+3 -0.001674 0.000915 -0.000214 0.000180 -0.000331 -0.002581 6C 1f-3 -0.000453 0.000570 0.000394 0.001203 0.000200 -0.002752 7C 1s 0.000126 -0.001820 0.010310 -0.001659 -0.008741 0.000008 7C 2s 0.000252 -0.004064 0.022860 -0.003574 -0.019310 0.000025 7C 3s -0.000531 0.007495 -0.040517 0.003401 0.030309 -0.000571 7C 4s 0.000619 0.004473 -0.052893 0.027828 0.060226 0.002047 7C 5s 0.002519 -0.000872 0.004249 0.010514 0.052841 0.008241 7C 1pz -0.003285 0.007194 -0.055089 -0.011128 0.059142 -0.014188 7C 1px -0.001596 0.013031 -0.011275 -0.000439 0.009254 0.045366 7C 1py 0.004856 0.010216 -0.038119 -0.006974 0.039619 0.006960 7C 2pz -0.002154 0.007176 -0.045262 -0.008003 0.043771 -0.003650 7C 2px -0.002608 0.016782 -0.008801 -0.004193 0.004293 0.011481 7C 2py 0.003214 0.011647 -0.031341 -0.006426 0.029194 0.000947 7C 3pz -0.008192 -0.010878 0.010861 0.008643 0.028778 0.015890 7C 3px -0.000930 -0.000467 -0.006173 -0.002984 0.012722 -0.029666 7C 3py 0.003894 -0.006521 0.004929 0.002857 0.017834 -0.001969 7C 1dz2 0.003152 0.001293 -0.007108 0.000494 0.007265 0.004191 7C 1dxz -0.003634 0.000873 -0.005933 -0.001469 0.006088 -0.007375 7C 1dyz -0.003714 0.001069 -0.006661 -0.000363 0.006596 0.000237 7C 1dx2y2 -0.003862 -0.001444 0.008705 0.000363 -0.009010 -0.000540 7C 1dxy 0.007212 -0.000373 0.001623 -0.000401 -0.001783 -0.005576 7C 2dz2 0.004709 0.004700 -0.011708 0.001484 0.012230 0.003790 7C 2dxz -0.005462 -0.000801 -0.010632 -0.002865 0.011677 -0.005822 7C 2dyz -0.005862 0.002742 -0.010826 0.002171 0.012254 0.000301 7C 2dx2y2 -0.005573 -0.003539 0.014938 -0.001116 -0.015432 -0.000606 7C 2dxy 0.012165 -0.002022 0.002639 -0.000733 -0.002333 -0.004410 7C 1f0 -0.001269 0.000494 0.000169 -0.000448 -0.000289 -0.002409 7C 1f+1 0.001594 -0.000350 0.000587 0.001071 -0.000447 0.002529 7C 1f-1 0.000977 0.000374 -0.000586 -0.000064 0.000728 -0.000920 7C 1f+2 0.000716 -0.000720 -0.000113 -0.000012 0.000207 0.001411 7C 1f-2 -0.001218 -0.000232 -0.000115 0.000858 0.000304 0.003109 7C 1f+3 -0.001716 -0.000662 -0.000135 0.000396 0.000368 0.002264 7C 1f-3 -0.000588 -0.000401 0.000464 0.000395 -0.000374 0.000272 8C 1s 0.000093 -0.001079 -0.004812 -0.000249 -0.005521 0.000203 8C 2s 0.000220 -0.002404 -0.010684 -0.000562 -0.012263 0.000430 8C 3s -0.000314 0.005032 0.019208 0.000018 0.022436 -0.000470 8C 4s -0.000680 -0.000204 0.016309 0.005855 0.017873 -0.002424 8C 5s 0.001289 0.015537 0.046594 0.014105 -0.018846 0.013116 8C 1pz 0.008257 -0.013333 -0.039040 -0.008775 -0.042098 0.011492 8C 1px 0.006262 0.005112 -0.034012 0.010314 -0.039142 -0.027610 8C 1py 0.003242 0.022843 0.082856 0.009969 0.087954 -0.009883 8C 2pz 0.006617 -0.009036 -0.031596 -0.009667 -0.031916 0.009593 8C 2px 0.004224 0.004453 -0.025865 0.006924 -0.029178 -0.022974 8C 2py 0.001460 0.015101 0.063954 0.011985 0.065483 -0.008616 8C 3pz 0.006758 -0.003538 -0.006093 -0.005953 0.002515 0.003009 8C 3px 0.014591 0.000114 -0.019823 0.003225 -0.015800 -0.011807 8C 3py 0.008782 0.010504 0.033974 0.009060 0.021316 -0.002594 8C 1dz2 0.000143 -0.000329 -0.000655 -0.000162 -0.000581 0.000265 8C 1dxz -0.000208 0.001139 0.001473 0.000830 0.001385 -0.001654 8C 1dyz -0.000084 -0.000305 -0.003394 0.000111 -0.003568 -0.000794 8C 1dx2y2 0.000326 -0.000423 -0.002681 -0.000232 -0.002918 0.000006 8C 1dxy -0.000025 -0.000872 -0.002223 -0.000470 -0.002265 0.000556 8C 2dz2 0.000303 -0.000030 0.001007 -0.000554 0.001031 0.000459 8C 2dxz 0.000255 0.001183 0.001292 0.001281 0.000635 -0.000777 8C 2dyz 0.000151 0.001442 -0.000581 -0.001705 -0.000742 0.000086 8C 2dx2y2 0.000668 0.000592 -0.002346 -0.000500 -0.002055 -0.000371 8C 2dxy 0.000131 -0.000806 -0.001051 -0.001285 -0.000386 0.000889 8C 1f0 -0.000250 0.000005 0.000231 0.000089 0.000240 0.000069 8C 1f+1 0.000167 0.000058 -0.000221 0.000021 -0.000299 -0.000109 8C 1f-1 0.000166 -0.000067 0.000188 0.000083 0.000254 0.000049 8C 1f+2 0.000031 -0.000252 -0.000005 0.000104 0.000034 0.000060 8C 1f-2 -0.000144 0.000111 0.000271 0.000209 0.000289 -0.000250 8C 1f+3 -0.000218 -0.000252 -0.000487 -0.000230 -0.000514 0.000115 8C 1f-3 -0.000135 -0.000237 0.000541 -0.000040 0.000722 0.000123 9C 1s 0.000047 -0.000928 0.004969 0.000281 -0.005369 0.000169 9C 2s 0.000106 -0.002067 0.011056 0.000648 -0.011950 0.000387 9C 3s -0.000193 0.004573 -0.020214 -0.000553 0.022105 -0.000468 9C 4s -0.000328 -0.000949 -0.015750 -0.003817 0.016701 -0.001321 9C 5s 0.004575 0.019612 -0.049806 -0.022823 -0.021243 -0.017572 9C 1pz 0.009064 -0.011022 0.081966 0.002047 -0.084381 -0.010584 9C 1px 0.002030 -0.016830 0.025693 0.014109 -0.022210 0.031054 9C 1py -0.013172 -0.012805 0.053377 0.006355 -0.053585 0.006233 9C 2pz 0.006781 -0.007267 0.063997 0.005241 -0.063268 -0.008619 9C 2px 0.001573 -0.011530 0.018943 0.013148 -0.016631 0.026276 9C 2py -0.009842 -0.008323 0.041290 0.006777 -0.039767 0.005676 9C 3pz 0.010920 -0.005042 0.029013 0.005860 -0.015220 -0.002275 9C 3px -0.001682 -0.011170 0.020681 0.003831 -0.015302 0.012804 9C 3py -0.017177 -0.007049 0.018969 0.006694 -0.006923 0.003960 9C 1dz2 0.000319 0.000720 -0.002814 -0.000351 0.002699 -0.000353 9C 1dxz 0.000225 -0.000413 -0.001278 0.000457 0.001496 0.001310 9C 1dyz -0.000262 0.001020 -0.004115 -0.000656 0.003950 -0.000787 9C 1dx2y2 0.000129 0.000178 0.001439 -0.000349 -0.001619 -0.001156 9C 1dxy -0.000161 -0.000265 -0.000715 0.000214 0.000769 0.000691 9C 2dz2 0.000574 0.000293 -0.000902 -0.001449 0.000565 -0.000533 9C 2dxz 0.000492 -0.000901 -0.001552 0.000260 0.001137 0.000962 9C 2dyz -0.000322 -0.000344 -0.000679 -0.001701 0.000406 -0.000120 9C 2dx2y2 0.000691 -0.000117 0.002515 -0.000264 -0.002030 -0.000294 9C 2dxy -0.000518 -0.000909 0.000445 0.000031 -0.000219 0.000936 9C 1f0 -0.000342 -0.000157 0.000081 0.000177 -0.000060 0.000160 9C 1f+1 0.000176 0.000092 0.000510 0.000087 -0.000593 -0.000141 9C 1f-1 0.000141 -0.000009 0.000400 0.000204 -0.000424 0.000137 9C 1f+2 0.000027 0.000027 -0.000281 -0.000087 0.000340 -0.000001 9C 1f-2 -0.000183 0.000345 -0.000061 -0.000042 0.000016 -0.000217 9C 1f+3 -0.000243 0.000045 0.000258 0.000035 -0.000293 -0.000004 9C 1f-3 -0.000016 -0.000136 0.000407 0.000097 -0.000457 0.000164 10H 1s -0.000082 0.004695 0.012207 0.006378 -0.014302 0.017200 10H 2s 0.000436 0.007674 0.016505 0.008914 -0.019980 0.027424 10H 3s 0.004675 -0.003605 0.028999 0.003752 -0.024499 0.005844 10H 1pz 0.000567 0.000796 -0.002055 0.000447 0.001918 0.000610 10H 1px 0.000187 -0.000283 -0.001581 -0.000277 0.001910 -0.001596 10H 1py -0.000706 0.000519 -0.001413 0.000264 0.001333 0.000237 11H 1s -0.006478 -0.005445 0.016949 -0.003935 -0.015897 -0.005900 11H 2s -0.009137 -0.007752 0.024682 -0.006300 -0.021929 -0.011327 11H 3s 0.005510 -0.004371 0.015007 -0.006219 -0.010074 -0.005138 11H 1pz -0.000003 0.000022 -0.001436 -0.000187 0.001619 -0.000892 11H 1px -0.000812 0.000121 0.000589 0.000190 -0.000495 0.000215 11H 1py 0.000055 0.000801 -0.003005 0.000488 0.002932 0.000693 12H 1s 0.006189 -0.007908 0.015489 -0.006126 -0.014007 -0.011712 12H 2s 0.008396 -0.011791 0.022587 -0.009510 -0.019651 -0.020318 12H 3s -0.009086 -0.004947 0.018184 -0.006543 -0.014030 -0.008087 12H 1pz -0.000234 0.000732 -0.003373 0.000301 0.003380 0.000340 12H 1px 0.000549 0.000104 -0.000105 0.000137 0.000185 0.000007 12H 1py 0.000328 -0.000495 0.000060 -0.000538 0.000104 -0.001289 13H 1s -0.000513 -0.010720 -0.012326 0.008880 -0.011636 -0.016274 13H 2s -0.001200 -0.015649 -0.017225 0.013394 -0.016306 -0.026714 13H 3s -0.008224 -0.011525 -0.027235 0.004947 -0.022753 -0.006355 13H 1pz 0.000472 -0.000433 0.000430 0.000493 0.000457 -0.001133 13H 1px 0.000240 0.000726 0.001810 -0.000680 0.001972 0.001328 13H 1py 0.000397 -0.000335 -0.002272 0.000113 -0.002444 0.000159 14H 1s -0.004253 0.002690 -0.013828 -0.003948 -0.015956 0.011256 14H 2s -0.005944 0.003815 -0.019076 -0.005484 -0.021515 0.019575 14H 3s 0.010813 -0.000710 -0.019456 -0.001269 -0.017585 0.006526 14H 1pz -0.000063 0.000623 0.000387 -0.000474 0.000277 0.000942 14H 1px -0.000453 0.000210 -0.000121 -0.000188 -0.000131 0.000836 14H 1py -0.000299 -0.000690 -0.003086 0.000225 -0.003344 0.000211 15H 1s 0.003388 -0.002439 -0.016982 -0.000625 -0.017610 0.003298 15H 2s 0.004951 -0.003807 -0.024937 -0.001253 -0.024568 0.006870 15H 3s -0.004342 -0.001906 -0.012322 0.000574 -0.008749 0.003145 15H 1pz -0.000238 0.000753 0.003091 -0.000143 0.003180 -0.000081 15H 1px 0.000607 -0.000230 0.000825 0.000314 0.001055 -0.000670 15H 1py -0.000108 -0.000548 -0.001064 0.000415 -0.001258 -0.000746 16H 1s -0.000028 -0.015074 0.000519 -0.009683 0.001415 0.000272 16H 2s -0.002504 -0.023656 -0.000252 -0.014292 0.000617 -0.002727 16H 3s -0.001907 -0.001796 0.001700 0.001088 0.002167 -0.004972 16H 1pz -0.000003 -0.005431 -0.000171 -0.004913 0.001122 0.000206 16H 1px -0.000143 0.007694 0.000026 0.009527 -0.002629 0.000262 16H 1py -0.000595 0.009408 -0.000200 0.009768 -0.002509 0.000264 17H 1s -0.000055 -0.015184 0.000232 -0.009798 0.001655 -0.000470 17H 2s -0.004246 -0.023022 0.000736 -0.013672 0.000536 0.001139 17H 3s -0.003186 -0.001828 -0.001595 0.000791 0.002135 0.004483 17H 1pz 0.000054 0.000480 -0.000094 -0.001016 0.000488 0.000237 17H 1px 0.000095 0.009796 -0.000327 0.010922 -0.002817 -0.000215 17H 1py -0.000644 0.009007 -0.000088 0.009541 -0.002480 -0.000456 18H 1s 0.000002 -0.015431 0.000273 0.009675 0.001705 0.000480 18H 2s 0.004344 -0.023474 0.000788 0.013626 0.000618 -0.001012 18H 3s 0.003453 -0.001919 -0.001555 -0.000729 0.002132 -0.004321 18H 1pz 0.000065 -0.000338 0.000089 -0.001152 -0.000540 0.000234 18H 1px 0.000123 -0.009888 0.000367 0.010694 0.002857 -0.000202 18H 1py -0.000645 -0.009200 0.000135 0.009417 0.002533 -0.000458 19H 1s 0.000043 -0.015321 0.000557 0.009532 0.001459 -0.000244 19H 2s 0.002286 -0.023911 -0.000192 0.013915 0.000646 0.002859 19H 3s 0.001579 -0.001743 0.001678 -0.001149 0.002110 0.004969 19H 1pz 0.000036 0.005671 0.000144 -0.004990 -0.001187 0.000200 19H 1px -0.000177 -0.007756 0.000010 0.009321 0.002662 0.000266 19H 1py -0.000607 -0.009504 0.000247 0.009597 0.002559 0.000251 20H 1s -0.003404 -0.002346 -0.016954 0.000761 -0.017549 -0.003422 20H 2s -0.004972 -0.003664 -0.024874 0.001460 -0.024466 -0.007111 20H 3s 0.004475 -0.001745 -0.012388 -0.000514 -0.008802 -0.003288 20H 1pz -0.000236 -0.000740 -0.003087 -0.000120 -0.003180 -0.000095 20H 1px 0.000609 0.000227 -0.000811 0.000314 -0.001046 -0.000660 20H 1py -0.000107 0.000546 0.001071 0.000415 0.001268 -0.000759 21H 1s 0.004315 0.002600 -0.013810 0.003981 -0.015996 -0.011179 21H 2s 0.006027 0.003686 -0.019081 0.005522 -0.021597 -0.019488 21H 3s -0.010765 -0.000593 -0.019248 0.001352 -0.017424 -0.006559 21H 1pz -0.000060 -0.000615 -0.000378 -0.000473 -0.000270 0.000953 21H 1px -0.000458 -0.000197 0.000119 -0.000183 0.000130 0.000822 21H 1py -0.000302 0.000684 0.003089 0.000210 0.003352 0.000207 22H 1s 0.000510 -0.010587 -0.012345 -0.008811 -0.011698 0.016329 22H 2s 0.001180 -0.015442 -0.017251 -0.013280 -0.016400 0.026782 22H 3s 0.008081 -0.011461 -0.027339 -0.004857 -0.022897 0.006348 22H 1pz 0.000481 0.000419 -0.000436 0.000488 -0.000466 -0.001124 22H 1px 0.000241 -0.000717 -0.001812 -0.000673 -0.001983 0.001341 22H 1py 0.000396 0.000322 0.002260 0.000096 0.002432 0.000169 23H 1s -0.006381 -0.007891 0.015556 0.005809 -0.014008 0.011441 23H 2s -0.008708 -0.011766 0.022705 0.009059 -0.019647 0.019946 23H 3s 0.008836 -0.004866 0.017923 0.006309 -0.013746 0.008131 23H 1pz -0.000241 -0.000730 0.003376 0.000287 -0.003380 0.000325 23H 1px 0.000564 -0.000122 0.000123 0.000147 -0.000202 0.000041 23H 1py 0.000343 0.000500 -0.000071 -0.000518 -0.000106 -0.001279 24H 1s 0.006584 -0.005560 0.016915 0.003905 -0.015844 0.006083 24H 2s 0.009303 -0.007892 0.024589 0.006262 -0.021822 0.011652 24H 3s -0.005710 -0.004468 0.015161 0.006167 -0.010176 0.005220 24H 1pz -0.000009 -0.000014 0.001433 -0.000187 -0.001614 -0.000900 24H 1px -0.000820 -0.000111 -0.000599 0.000168 0.000506 0.000173 24H 1py 0.000048 -0.000805 0.002995 0.000476 -0.002922 0.000694 25H 1s 0.000079 0.004838 0.012125 -0.006140 -0.014287 -0.017168 25H 2s -0.000407 0.007884 0.016423 -0.008538 -0.019997 -0.027367 25H 3s -0.004324 -0.003513 0.029044 -0.003739 -0.024575 -0.005839 25H 1pz 0.000565 -0.000802 0.002035 0.000431 -0.001892 0.000621 25H 1px 0.000193 0.000296 0.001569 -0.000258 -0.001903 -0.001594 25H 1py -0.000720 -0.000512 0.001441 0.000245 -0.001365 0.000206 26O 1s 0.000060 -0.000140 -0.007527 -0.000861 0.007809 0.005974 26O 2s 0.000151 -0.000303 -0.018319 -0.002098 0.018989 0.014335 26O 3s -0.000381 -0.000150 0.031464 0.003495 -0.032206 -0.022141 26O 4s 0.000456 0.002384 0.033117 0.001878 -0.036071 -0.035852 26O 5s 0.000997 0.017565 0.035529 0.025042 -0.041960 -0.006573 26O 1pz 0.063927 0.030695 -0.098241 0.026945 0.094374 0.114943 26O 1px 0.038783 0.005503 0.002309 -0.004214 0.003055 -0.111540 26O 1py -0.104463 0.021678 -0.059432 0.009608 0.058343 0.027610 26O 2pz 0.053273 0.024950 -0.082444 0.022288 0.079697 0.098001 26O 2px 0.031912 0.002184 0.003444 -0.004772 0.002392 -0.092974 26O 2py -0.087521 0.016837 -0.049671 0.007946 0.049449 0.024501 26O 3pz 0.040323 0.021196 -0.047389 0.019397 0.048849 0.065567 26O 3px 0.023003 -0.006501 0.012442 -0.015377 -0.002058 -0.076052 26O 3py -0.067135 0.007954 -0.023712 0.000165 0.028712 0.011170 26O 1dz2 0.000532 0.000381 -0.000793 0.000288 0.000751 -0.000547 26O 1dxz -0.000435 -0.000275 0.000521 -0.000237 -0.000582 -0.000663 26O 1dyz -0.000456 0.000049 -0.000590 0.000037 0.000365 0.000075 26O 1dx2y2 -0.000479 -0.000332 0.000204 -0.000290 -0.000246 0.001304 26O 1dxy 0.000950 -0.000430 0.000394 -0.000278 -0.000531 0.000653 26O 2dz2 0.002136 0.001507 -0.002654 0.001764 0.002320 0.000254 26O 2dxz -0.000681 0.000011 0.001255 -0.000673 -0.000988 -0.002359 26O 2dyz -0.002046 0.001317 -0.003577 0.001118 0.001968 0.002926 26O 2dx2y2 -0.000204 -0.000795 0.000300 -0.000334 -0.001184 0.002881 26O 2dxy 0.002890 -0.000065 0.000201 -0.000261 -0.001317 0.001757 26O 1f0 0.000182 0.000023 0.000186 0.000168 -0.000219 0.000157 26O 1f+1 0.000470 0.000175 -0.000235 0.000094 0.000084 0.000811 26O 1f-1 0.000447 0.000291 -0.000759 0.000251 0.000204 0.000920 26O 1f+2 0.000800 -0.000182 0.000126 -0.000161 0.000064 -0.000486 26O 1f-2 0.000151 0.000228 -0.000606 0.000018 0.000443 0.000318 26O 1f+3 -0.000817 0.000090 -0.000362 0.000009 0.000186 0.000327 26O 1f-3 -0.000003 0.000012 0.000146 0.000075 -0.000267 0.000639 27O 1s 0.000134 0.002661 0.007184 0.001927 0.007328 -0.005621 27O 2s 0.000322 0.006441 0.017486 0.004648 0.017833 -0.013475 27O 3s -0.000557 -0.010512 -0.030105 -0.007340 -0.030513 0.020645 27O 4s -0.000854 -0.012127 -0.031098 -0.009040 -0.033084 0.033633 27O 5s 0.006140 -0.029837 -0.032023 -0.023251 -0.030648 0.009994 27O 1pz 0.107314 0.009311 0.060862 0.024367 0.064365 -0.077953 27O 1px 0.024364 -0.006195 0.015179 -0.023244 0.023062 0.094945 27O 1py 0.072723 -0.007907 -0.089750 -0.018255 -0.101142 0.086183 27O 2pz 0.089680 0.007748 0.051344 0.020971 0.054461 -0.066176 27O 2px 0.019684 -0.002809 0.010836 -0.017013 0.017860 0.078371 27O 2py 0.061154 -0.006900 -0.074960 -0.016003 -0.084840 0.073816 27O 3pz 0.067715 -0.002877 0.030045 0.007545 0.035248 -0.045420 27O 3px 0.012380 -0.009245 -0.005100 -0.015244 0.006025 0.065788 27O 3py 0.045492 0.003734 -0.042258 -0.004295 -0.054757 0.046656 27O 1dz2 0.000758 -0.000131 0.000241 -0.000196 0.000473 0.000736 27O 1dxz -0.000879 0.000143 -0.000182 -0.000245 -0.000288 0.000644 27O 1dyz -0.000099 -0.000218 -0.000881 -0.000119 -0.000748 0.000408 27O 1dx2y2 -0.000145 0.000016 -0.000748 0.000496 -0.000926 -0.001327 27O 1dxy -0.000698 -0.000356 0.000336 0.000029 0.000707 -0.000107 27O 2dz2 0.003032 -0.000177 -0.000541 -0.000112 0.000563 0.002130 27O 2dxz -0.002160 0.000379 -0.000298 -0.000611 0.000001 0.001809 27O 2dyz -0.000564 -0.000028 -0.003831 -0.000121 -0.002756 0.003171 27O 2dx2y2 0.000726 -0.000358 -0.001889 -0.000017 -0.002814 -0.001777 27O 2dxy -0.002193 -0.000276 -0.000066 0.000699 0.000683 -0.000311 27O 1f0 -0.000545 -0.000116 -0.000644 -0.000153 -0.000317 0.000502 27O 1f+1 0.000326 0.000072 -0.000054 0.000149 -0.000147 -0.000572 27O 1f-1 -0.000655 -0.000013 -0.000063 -0.000003 0.000041 0.000177 27O 1f+2 0.000581 -0.000077 -0.000340 0.000029 -0.000109 0.000386 27O 1f-2 -0.000656 -0.000198 -0.000465 -0.000223 -0.000290 0.000644 27O 1f+3 -0.000701 0.000205 0.000529 0.000227 0.000232 -0.000986 27O 1f-3 -0.000220 -0.000073 0.000267 -0.000070 0.000398 0.000425 28O 1s 0.000255 0.002169 -0.007430 -0.001729 0.007151 -0.005949 28O 2s 0.000614 0.005248 -0.018092 -0.004164 0.017405 -0.014267 28O 3s -0.000939 -0.008523 0.031316 0.006497 -0.029890 0.021896 28O 4s -0.001990 -0.009622 0.030650 0.008509 -0.031322 0.035479 28O 5s 0.001774 -0.030409 0.041944 0.019812 -0.035006 0.009769 28O 1pz -0.071282 0.003316 -0.083294 -0.010981 0.091166 -0.032216 28O 1px -0.044452 0.010545 -0.039629 -0.034344 0.035348 -0.139121 28O 1py 0.119987 0.003508 -0.065722 -0.013043 0.069005 -0.074817 28O 2pz -0.059639 0.004452 -0.068839 -0.011220 0.075785 -0.028783 28O 2px -0.037373 0.006919 -0.034578 -0.027418 0.030895 -0.116046 28O 2py 0.100749 0.002962 -0.055163 -0.011040 0.058391 -0.063691 28O 3pz -0.043930 -0.008098 -0.035550 0.000921 0.048713 -0.011732 28O 3px -0.026805 0.003575 -0.029407 -0.017720 0.025400 -0.090789 28O 3py 0.072605 -0.001268 -0.032436 -0.004983 0.037003 -0.042693 28O 1dz2 0.000306 0.000267 0.000021 0.000120 -0.000274 0.000427 28O 1dxz -0.000540 -0.000167 -0.000790 0.000284 0.001078 0.000994 28O 1dyz -0.000530 0.000279 -0.000589 -0.000007 0.000282 -0.000173 28O 1dx2y2 -0.000729 0.000005 0.000104 -0.000445 -0.000182 -0.001269 28O 1dxy 0.001141 -0.000085 -0.000685 -0.000123 0.000755 -0.000545 28O 2dz2 -0.000108 0.000161 -0.000505 0.000665 0.000073 0.000235 28O 2dxz -0.002365 0.000108 -0.001731 -0.000321 0.002701 0.001194 28O 2dyz -0.000802 0.000181 -0.003146 -0.000064 0.001940 -0.002405 28O 2dx2y2 -0.003150 -0.000593 -0.000243 -0.000142 -0.000577 -0.002906 28O 2dxy 0.003288 -0.000058 -0.002294 -0.000594 0.001723 -0.002625 28O 1f0 -0.001133 0.000104 -0.000301 -0.000187 0.000201 -0.000418 28O 1f+1 0.000534 0.000047 0.000263 0.000008 -0.000352 -0.000452 28O 1f-1 0.000106 0.000189 -0.000933 -0.000175 0.000507 -0.000849 28O 1f+2 -0.000429 -0.000187 0.000460 0.000242 -0.000112 0.001020 28O 1f-2 -0.000888 0.000027 -0.000057 -0.000055 -0.000136 -0.000320 28O 1f+3 -0.000131 -0.000017 0.000058 0.000045 -0.000038 0.000146 28O 1f-3 -0.000427 0.000101 0.000167 -0.000109 -0.000131 -0.000202 29O 1s 0.000059 -0.009509 0.000193 -0.006957 0.001372 -0.000069 29O 2s 0.000123 -0.022885 0.000462 -0.016679 0.003243 -0.000174 29O 3s -0.000027 0.035150 -0.000710 0.024609 -0.004117 0.000387 29O 4s -0.001776 0.058279 -0.001199 0.048916 -0.014640 -0.000237 29O 5s 0.007640 0.037129 -0.000345 0.010825 0.011341 0.002584 29O 1pz 0.002285 -0.039023 0.000001 -0.054241 0.016685 -0.002452 29O 1px -0.007209 0.162167 -0.002213 0.202867 -0.058435 -0.002738 29O 1py -0.006426 0.227535 -0.003906 0.225717 -0.056410 -0.000938 29O 2pz 0.001915 -0.033295 -0.000562 -0.045710 0.013946 -0.001617 29O 2px -0.005934 0.136679 -0.002019 0.170192 -0.049115 -0.002044 29O 2py -0.005515 0.188820 -0.003163 0.187827 -0.047676 -0.000794 29O 3pz 0.002117 -0.029433 0.000368 -0.040699 0.014527 -0.005798 29O 3px -0.002833 0.114117 -0.001357 0.145807 -0.047373 -0.003607 29O 3py -0.007719 0.145604 -0.003022 0.150335 -0.038485 -0.001004 29O 1dz2 -0.000032 0.000445 -0.000014 0.000407 -0.000062 -0.000004 29O 1dxz -0.000007 -0.000594 -0.000008 -0.000774 0.000311 -0.000002 29O 1dyz 0.000007 -0.000252 -0.000027 -0.000132 0.000021 -0.000009 29O 1dx2y2 -0.000061 0.002390 -0.000043 0.002705 -0.000858 -0.000020 29O 1dxy 0.000069 -0.000071 -0.000026 -0.000440 0.000146 0.000014 29O 2dz2 -0.000531 0.004903 0.000016 0.004710 -0.001278 0.000010 29O 2dxz 0.000061 -0.001037 -0.000075 -0.001627 0.000330 -0.000087 29O 2dyz 0.000102 -0.000332 0.000088 0.000349 -0.000297 -0.000051 29O 2dx2y2 -0.000871 0.009602 -0.000232 0.010064 -0.002206 -0.000170 29O 2dxy -0.000031 -0.003262 0.000034 -0.005056 0.001679 0.000028 29O 1f0 -0.000062 -0.000720 -0.000016 -0.000933 0.000287 -0.000025 29O 1f+1 0.000038 0.001026 -0.000017 0.001202 -0.000346 -0.000043 29O 1f-1 -0.000046 0.001280 -0.000061 0.001330 -0.000362 -0.000024 29O 1f+2 0.000024 0.000134 0.000006 0.000253 -0.000108 0.000010 29O 1f-2 -0.000111 0.001014 0.000034 0.001124 -0.000333 0.000018 29O 1f+3 -0.000013 -0.001383 0.000014 -0.001351 0.000325 -0.000012 29O 1f-3 -0.000045 0.000693 -0.000038 0.000952 -0.000312 -0.000019 30O 1s 0.000009 0.000027 0.007298 0.000985 0.007972 0.005763 30O 2s 0.000040 0.000112 0.017762 0.002401 0.019390 0.013839 30O 3s -0.000317 -0.001058 -0.030584 -0.003980 -0.033025 -0.021524 30O 4s 0.000808 0.002357 -0.031022 -0.002229 -0.035432 -0.033817 30O 5s -0.000269 0.022842 -0.040289 -0.030814 -0.049582 -0.005542 30O 1pz -0.114449 0.021410 0.046909 -0.014401 0.050700 0.006793 30O 1px -0.020968 0.015306 0.056063 -0.016839 0.052704 0.146761 30O 1py -0.081431 -0.036892 -0.083433 0.017937 -0.087117 -0.051892 30O 2pz -0.095968 0.015763 0.038951 -0.010857 0.043048 0.006855 30O 2px -0.017413 0.015137 0.048145 -0.015248 0.044632 0.123584 30O 2py -0.068015 -0.028332 -0.069211 0.014212 -0.073603 -0.044774 30O 3pz -0.071303 0.009582 0.017722 -0.004367 0.023630 -0.002699 30O 3px -0.011632 0.022235 0.036454 -0.024959 0.030017 0.095763 30O 3py -0.049307 -0.017558 -0.037379 0.005227 -0.044418 -0.025037 30O 1dz2 0.000536 -0.000033 -0.000317 0.000058 -0.000251 -0.000665 30O 1dxz -0.001082 0.000439 0.000438 -0.000374 0.000503 -0.000842 30O 1dyz 0.000157 0.000278 -0.000248 -0.000209 -0.000001 -0.000413 30O 1dx2y2 -0.000140 -0.000022 0.000085 0.000077 0.000163 0.001052 30O 1dxy -0.000963 -0.000625 -0.000892 0.000419 -0.000951 0.000454 30O 2dz2 0.000363 -0.000435 -0.001672 0.000509 -0.000827 -0.002603 30O 2dxz -0.003912 0.001061 0.001223 -0.001201 0.001772 -0.001154 30O 2dyz 0.000820 -0.001314 -0.002426 0.001003 -0.000620 -0.003056 30O 2dx2y2 -0.001146 -0.000573 0.000089 -0.000093 -0.000194 0.002297 30O 2dxy -0.002516 -0.001244 -0.002994 0.001395 -0.002957 -0.000928 30O 1f0 -0.000368 -0.000180 -0.000451 0.000081 -0.000250 -0.000107 30O 1f+1 0.000578 0.000021 -0.000229 -0.000046 -0.000176 -0.000009 30O 1f-1 0.001311 -0.000146 -0.000307 0.000050 -0.000254 -0.000137 30O 1f+2 -0.000202 -0.000376 -0.000867 0.000099 -0.000494 -0.000773 30O 1f-2 0.000005 -0.000157 -0.000174 0.000238 0.000200 -0.000808 30O 1f+3 -0.000357 0.000150 0.000025 -0.000211 -0.000165 0.000475 30O 1f-3 -0.000059 -0.000208 -0.000281 0.000037 -0.000142 -0.000700 31O 1s -0.000012 0.000057 0.007281 -0.001038 0.007963 -0.005775 31O 2s -0.000048 0.000185 0.017721 -0.002528 0.019368 -0.013867 31O 3s 0.000335 -0.001195 -0.030517 0.004176 -0.032987 0.021575 31O 4s -0.000812 0.002378 -0.030928 0.002565 -0.035404 0.033833 31O 5s 0.000442 0.021832 -0.040138 0.030767 -0.049561 0.005635 31O 1pz -0.114293 -0.020998 -0.047073 -0.014103 -0.050630 0.006821 31O 1px -0.021134 -0.015133 -0.056103 -0.016498 -0.052803 0.146992 31O 1py -0.081348 0.036731 0.083340 0.017476 0.087371 -0.051961 31O 2pz -0.095839 -0.015447 -0.039070 -0.010635 -0.042983 0.006861 31O 2px -0.017543 -0.014944 -0.048183 -0.014928 -0.044720 0.123779 31O 2py -0.067944 0.028243 0.069133 0.013863 0.073819 -0.044829 31O 3pz -0.071191 -0.009356 -0.017858 -0.004122 -0.023649 -0.002670 31O 3px -0.011821 -0.021857 -0.036560 -0.024828 -0.030096 0.095972 31O 3py -0.049279 0.017331 0.037280 0.004612 0.044618 -0.025005 31O 1dz2 -0.000536 -0.000035 -0.000319 -0.000058 -0.000249 0.000666 31O 1dxz 0.001080 0.000427 0.000440 0.000373 0.000504 0.000843 31O 1dyz -0.000158 0.000274 -0.000247 0.000210 -0.000000 0.000413 31O 1dx2y2 0.000142 -0.000018 0.000083 -0.000082 0.000163 -0.001053 31O 1dxy 0.000964 -0.000615 -0.000892 -0.000415 -0.000956 -0.000453 31O 2dz2 -0.000369 -0.000419 -0.001679 -0.000497 -0.000829 0.002609 31O 2dxz 0.003903 0.001036 0.001227 0.001207 0.001771 0.001167 31O 2dyz -0.000829 -0.001282 -0.002422 -0.000995 -0.000617 0.003048 31O 2dx2y2 0.001157 -0.000558 0.000090 0.000092 -0.000195 -0.002298 31O 2dxy 0.002511 -0.001215 -0.002993 -0.001375 -0.002977 0.000921 31O 1f0 -0.000368 0.000180 0.000451 0.000079 0.000251 -0.000106 31O 1f+1 0.000577 -0.000022 0.000230 -0.000048 0.000175 -0.000010 31O 1f-1 0.001310 0.000143 0.000308 0.000049 0.000252 -0.000137 31O 1f+2 -0.000202 0.000376 0.000867 0.000096 0.000495 -0.000773 31O 1f-2 0.000006 0.000152 0.000175 0.000240 -0.000198 -0.000809 31O 1f+3 -0.000357 -0.000142 -0.000027 -0.000213 0.000164 0.000476 31O 1f-3 -0.000058 0.000208 0.000281 0.000036 0.000141 -0.000702 32O 1s -0.000071 -0.009660 0.000223 0.006852 0.001402 0.000079 32O 2s -0.000151 -0.023245 0.000534 0.016423 0.003313 0.000199 32O 3s 0.000073 0.035657 -0.000819 -0.024187 -0.004209 -0.000430 32O 4s 0.001828 0.059340 -0.001402 -0.048280 -0.014883 0.000206 32O 5s -0.007505 0.037583 -0.000404 -0.010585 0.011352 -0.002823 32O 1pz 0.002592 0.044076 -0.000326 -0.057508 -0.018003 -0.002391 32O 1px -0.007260 -0.163087 0.003029 0.198225 0.059144 -0.002712 32O 1py -0.006666 -0.231356 0.004872 0.222473 0.057598 -0.000948 32O 2pz 0.002180 0.037506 0.000284 -0.048439 -0.015068 -0.001571 32O 2px -0.005975 -0.137467 0.002696 0.166288 0.049703 -0.002025 32O 2py -0.005712 -0.191991 0.003986 0.185131 0.048667 -0.000793 32O 3pz 0.002726 0.032464 -0.000599 -0.042409 -0.015344 -0.005769 32O 3px -0.002752 -0.115005 0.001958 0.142693 0.047926 -0.003490 32O 3py -0.007836 -0.147976 0.003644 0.148082 0.039264 -0.001203 32O 1dz2 0.000032 0.000446 -0.000016 -0.000391 -0.000060 0.000004 32O 1dxz 0.000008 -0.000588 -0.000005 0.000738 0.000307 0.000003 32O 1dyz -0.000007 -0.000172 -0.000028 0.000044 -0.000002 0.000011 32O 1dx2y2 0.000064 0.002438 -0.000054 -0.002675 -0.000876 0.000019 32O 1dxy -0.000068 -0.000040 -0.000025 0.000401 0.000140 -0.000015 32O 2dz2 0.000550 0.004968 -0.000013 -0.004598 -0.001282 -0.000002 32O 2dxz -0.000080 -0.000962 -0.000072 0.001484 0.000304 0.000086 32O 2dyz -0.000049 0.000001 0.000081 -0.000656 -0.000378 0.000049 32O 2dx2y2 0.000871 0.009812 -0.000280 -0.009987 -0.002280 0.000182 32O 2dxy 0.000044 -0.003225 0.000050 0.004897 0.001686 -0.000018 32O 1f0 -0.000055 0.000785 0.000010 -0.000970 -0.000306 -0.000026 32O 1f+1 0.000045 -0.001005 0.000021 0.001145 0.000341 -0.000040 32O 1f-1 -0.000047 -0.001289 0.000066 0.001293 0.000365 -0.000025 32O 1f+2 0.000024 -0.000104 -0.000006 0.000221 0.000102 0.000011 32O 1f-2 -0.000114 -0.001081 -0.000028 0.001163 0.000356 0.000016 32O 1f+3 -0.000011 0.001397 -0.000020 -0.001325 -0.000330 -0.000012 32O 1f-3 -0.000043 -0.000671 0.000042 0.000901 0.000307 -0.000020 33O 1s -0.000235 0.002158 -0.007406 0.001777 0.007139 0.005956 33O 2s -0.000566 0.005224 -0.018035 0.004283 0.017375 0.014282 33O 3s 0.000859 -0.008508 0.031227 -0.006700 -0.029836 -0.021918 33O 4s 0.001897 -0.009449 0.030495 -0.008674 -0.031266 -0.035520 33O 5s -0.002020 -0.030356 0.041955 -0.020618 -0.035118 -0.009908 33O 1pz -0.071606 -0.003003 0.082889 -0.010609 -0.090888 -0.032724 33O 1px -0.044379 -0.010090 0.039192 -0.034372 -0.035231 -0.139150 33O 1py 0.119638 -0.003425 0.065839 -0.012830 -0.069194 -0.073708 33O 2pz -0.059928 -0.004169 0.068489 -0.010975 -0.075570 -0.029212 33O 2px -0.037298 -0.006550 0.034218 -0.027370 -0.030790 -0.116070 33O 2py 0.100457 -0.002918 0.055245 -0.010885 -0.058531 -0.062748 33O 3pz -0.044028 0.008408 0.035365 0.001587 -0.048549 -0.012130 33O 3px -0.026719 -0.003390 0.029118 -0.017803 -0.025253 -0.090733 33O 3py 0.072349 0.001526 0.032555 -0.004484 -0.037201 -0.042019 33O 1dz2 -0.000307 0.000265 0.000019 -0.000111 -0.000270 -0.000432 33O 1dxz 0.000547 -0.000169 -0.000788 -0.000295 0.001075 -0.000990 33O 1dyz 0.000529 0.000278 -0.000586 0.000016 0.000279 0.000182 33O 1dx2y2 0.000727 0.000001 0.000108 0.000444 -0.000182 0.001270 33O 1dxy -0.001142 -0.000086 -0.000686 0.000117 0.000758 0.000532 33O 2dz2 0.000101 0.000168 -0.000502 -0.000658 0.000069 -0.000252 33O 2dxz 0.002393 0.000075 -0.001718 0.000298 0.002700 -0.001172 33O 2dyz 0.000807 0.000155 -0.003129 0.000054 0.001929 0.002410 33O 2dx2y2 0.003138 -0.000572 -0.000233 0.000157 -0.000591 0.002922 33O 2dxy -0.003283 -0.000075 -0.002293 0.000575 0.001734 0.002583 33O 1f0 -0.001132 -0.000101 0.000296 -0.000188 -0.000198 -0.000423 33O 1f+1 0.000538 -0.000047 -0.000262 0.000006 0.000350 -0.000444 33O 1f-1 0.000100 -0.000185 0.000932 -0.000176 -0.000508 -0.000847 33O 1f+2 -0.000432 0.000184 -0.000459 0.000245 0.000112 0.001016 33O 1f-2 -0.000886 -0.000022 0.000055 -0.000056 0.000137 -0.000329 33O 1f+3 -0.000132 0.000019 -0.000059 0.000046 0.000038 0.000146 33O 1f-3 -0.000429 -0.000098 -0.000168 -0.000110 0.000132 -0.000207 34O 1s -0.000144 0.002734 0.007180 -0.001983 0.007319 0.005643 34O 2s -0.000346 0.006618 0.017476 -0.004785 0.017811 0.013528 34O 3s 0.000598 -0.010809 -0.030082 0.007583 -0.030472 -0.020732 34O 4s 0.000880 -0.012397 -0.031122 0.009257 -0.033085 -0.033729 34O 5s -0.005762 -0.030614 -0.031803 0.023526 -0.030572 -0.010199 34O 1pz 0.107297 -0.009859 -0.060531 0.024627 -0.064067 -0.078112 34O 1px 0.024287 0.006870 -0.015165 -0.023192 -0.023257 0.095115 34O 1py 0.072435 0.008125 0.089645 -0.018743 0.101009 0.086212 34O 2pz 0.089669 -0.008206 -0.051061 0.021194 -0.054206 -0.066305 34O 2px 0.019657 0.003316 -0.010821 -0.016959 -0.018014 0.078515 34O 2py 0.060897 0.007115 0.074875 -0.016441 0.084721 0.073842 34O 3pz 0.067669 0.002672 -0.029883 0.007731 -0.035131 -0.045531 34O 3px 0.012404 0.009702 0.005099 -0.015394 -0.006248 0.065874 34O 3py 0.045350 -0.003931 0.042169 -0.004260 0.054761 0.046608 34O 1dz2 -0.000757 -0.000140 0.000238 0.000197 0.000475 -0.000737 34O 1dxz 0.000879 0.000135 -0.000179 0.000247 -0.000283 -0.000645 34O 1dyz 0.000100 -0.000219 -0.000881 0.000122 -0.000749 -0.000409 34O 1dx2y2 0.000144 0.000032 -0.000749 -0.000492 -0.000930 0.001328 34O 1dxy 0.000697 -0.000359 0.000335 -0.000032 0.000708 0.000106 34O 2dz2 -0.003033 -0.000177 -0.000551 0.000110 0.000561 -0.002136 34O 2dxz 0.002160 0.000363 -0.000292 0.000622 0.000015 -0.001815 34O 2dyz 0.000576 -0.000024 -0.003827 0.000140 -0.002756 -0.003163 34O 2dx2y2 -0.000713 -0.000326 -0.001892 0.000006 -0.002828 0.001782 34O 2dxy 0.002180 -0.000275 -0.000074 -0.000694 0.000682 0.000313 34O 1f0 -0.000545 0.000119 0.000642 -0.000155 0.000315 0.000502 34O 1f+1 0.000325 -0.000076 0.000055 0.000148 0.000148 -0.000573 34O 1f-1 -0.000654 0.000014 0.000062 -0.000003 -0.000041 0.000177 34O 1f+2 0.000579 0.000076 0.000341 0.000029 0.000111 0.000384 34O 1f-2 -0.000657 0.000204 0.000463 -0.000223 0.000288 0.000645 34O 1f+3 -0.000700 -0.000211 -0.000529 0.000228 -0.000231 -0.000987 34O 1f-3 -0.000219 0.000074 -0.000267 -0.000067 -0.000398 0.000426 35O 1s -0.000056 -0.000097 -0.007540 0.000815 0.007813 -0.005973 35O 2s -0.000140 -0.000200 -0.018348 0.001987 0.018997 -0.014332 35O 3s 0.000354 -0.000315 0.031503 -0.003328 -0.032211 0.022138 35O 4s -0.000426 0.002187 0.033222 -0.001639 -0.036129 0.035830 35O 5s -0.001418 0.016989 0.035465 -0.023688 -0.041873 0.006629 35O 1pz 0.063619 -0.031116 0.098188 0.026067 -0.093868 0.114866 35O 1px 0.038638 -0.005003 -0.002510 -0.004437 -0.002950 -0.111021 35O 1py -0.103866 -0.021646 0.059403 0.009097 -0.058465 0.026455 35O 2pz 0.053000 -0.025304 0.082408 0.021595 -0.079277 0.097940 35O 2px 0.031773 -0.001813 -0.003603 -0.004816 -0.002303 -0.092543 35O 2py -0.087030 -0.016841 0.049644 0.007593 -0.049532 0.023521 35O 3pz 0.040170 -0.021410 0.047284 0.018599 -0.048467 0.065425 35O 3px 0.022784 0.006716 -0.012580 -0.015132 0.002107 -0.075716 35O 3py -0.066798 -0.007796 0.023660 -0.000264 -0.028859 0.010404 35O 1dz2 -0.000531 0.000376 -0.000792 -0.000276 0.000751 0.000546 35O 1dxz 0.000431 -0.000278 0.000520 0.000226 -0.000576 0.000666 35O 1dyz 0.000456 0.000052 -0.000593 -0.000040 0.000368 -0.000076 35O 1dx2y2 0.000474 -0.000326 0.000202 0.000282 -0.000242 -0.001293 35O 1dxy -0.000941 -0.000423 0.000392 0.000263 -0.000533 -0.000665 35O 2dz2 -0.002130 0.001536 -0.002657 -0.001739 0.002303 -0.000255 35O 2dxz 0.000673 0.000002 0.001253 0.000665 -0.000974 0.002365 35O 2dyz 0.002044 0.001312 -0.003586 -0.001068 0.001972 -0.002902 35O 2dx2y2 0.000186 -0.000792 0.000302 0.000328 -0.001180 -0.002861 35O 2dxy -0.002872 -0.000068 0.000201 0.000265 -0.001323 -0.001793 35O 1f0 0.000182 -0.000025 -0.000185 0.000168 0.000218 0.000156 35O 1f+1 0.000469 -0.000179 0.000235 0.000090 -0.000083 0.000811 35O 1f-1 0.000446 -0.000294 0.000761 0.000242 -0.000202 0.000922 35O 1f+2 0.000796 0.000184 -0.000129 -0.000156 -0.000061 -0.000480 35O 1f-2 0.000152 -0.000230 0.000605 0.000012 -0.000441 0.000318 35O 1f+3 -0.000812 -0.000092 0.000362 0.000007 -0.000188 0.000318 35O 1f-3 -0.000006 -0.000014 -0.000145 0.000074 0.000267 0.000642 102 103 104 105 106 107 -0.30261 -0.30239 -0.30115 -0.30101 -0.30045 -0.28698 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s 0.000544 0.000997 -0.000033 0.000124 0.003047 0.000052 0Rh 2s -0.002038 -0.003748 0.000133 -0.000464 -0.011498 -0.000203 0Rh 3s 0.001888 0.003449 -0.000107 0.000433 0.010511 0.000174 0Rh 4s 0.008667 0.015944 -0.000571 0.001969 0.048929 0.000867 0Rh 5s -0.006510 -0.012038 0.000512 -0.001430 -0.037146 -0.000679 0Rh 6s -0.014479 -0.026479 0.000664 -0.003497 -0.080661 -0.001422 0Rh 7s 0.024265 0.045097 -0.000933 0.004582 0.126635 0.001622 0Rh 8s -0.024377 -0.032017 0.003703 0.003229 -0.055073 0.003355 0Rh 1pz -0.013889 0.003186 -0.004391 0.004936 0.000782 0.007446 0Rh 1px -0.003096 0.004787 -0.002217 0.000678 0.000958 0.002220 0Rh 1py -0.003533 -0.013024 0.004345 0.004968 0.006185 0.000187 0Rh 2pz 0.047018 -0.010789 0.014856 -0.016698 -0.002667 -0.025236 0Rh 2px 0.010496 -0.016190 0.007502 -0.002286 -0.003178 -0.007525 0Rh 2py 0.011966 0.044102 -0.014695 -0.016808 -0.020934 -0.000632 0Rh 3pz -0.037089 0.008572 -0.011569 0.012980 0.002454 0.020207 0Rh 3px -0.008502 0.012512 -0.005886 0.001645 0.001437 0.006030 0Rh 3py -0.009504 -0.034956 0.011359 0.013122 0.016434 0.000481 0Rh 4pz -0.064668 0.014718 -0.020681 0.023337 0.002698 0.034512 0Rh 4px -0.013859 0.022957 -0.010267 0.003664 0.007442 0.010310 0Rh 4py -0.016279 -0.060190 0.020722 0.023296 0.029041 0.000979 0Rh 5pz 0.006771 -0.001876 0.000600 -0.000848 -0.000241 -0.006142 0Rh 5px 0.001511 -0.002169 -0.000165 -0.000896 -0.001652 -0.001912 0Rh 5py 0.001631 0.006018 -0.000781 -0.000564 -0.002807 -0.000465 0Rh 6pz 0.050150 -0.002876 0.036007 -0.037650 0.016265 0.048169 0Rh 6px 0.000814 -0.035343 0.021374 -0.003017 -0.055072 0.015377 0Rh 6py 0.010214 0.045047 -0.035840 -0.040179 -0.035954 0.004420 0Rh 1dz2 -0.041826 0.006012 -0.006452 0.008381 -0.006970 0.023601 0Rh 1dxz 0.062187 -0.019299 0.009076 -0.012223 -0.020171 -0.039798 0Rh 1dyz 0.006426 -0.024027 0.005671 0.000832 0.003983 -0.007091 0Rh 1dx2y2 0.021325 -0.021041 0.005339 0.000881 0.026884 -0.014290 0Rh 1dxy 0.024249 0.069058 -0.010205 -0.011868 -0.012244 -0.004068 0Rh 2dz2 0.001167 -0.000124 0.000125 -0.000183 0.000243 -0.000724 0Rh 2dxz -0.001742 0.000583 -0.000181 0.000261 0.000653 0.001243 0Rh 2dyz -0.000186 0.000693 -0.000119 -0.000003 -0.000104 0.000230 0Rh 2dx2y2 -0.000628 0.000533 -0.000083 -0.000020 -0.000852 0.000448 0Rh 2dxy -0.000706 -0.001986 0.000212 0.000236 0.000301 0.000146 0Rh 3dz2 0.061243 -0.009006 0.009671 -0.012485 0.009855 -0.034451 0Rh 3dxz -0.091359 0.028069 -0.013600 0.018259 0.029057 0.058163 0Rh 3dyz -0.009391 0.035218 -0.008480 -0.001303 -0.005914 0.010313 0Rh 3dx2y2 -0.031031 0.031192 -0.008088 -0.001304 -0.038654 0.020823 0Rh 3dxy -0.035485 -0.101147 0.015267 0.017811 0.018280 0.005878 0Rh 4dz2 0.081546 -0.011237 0.011949 -0.015711 0.014552 -0.046427 0Rh 4dxz -0.120473 0.038099 -0.016766 0.022780 0.040747 0.078138 0Rh 4dyz -0.012639 0.046732 -0.010544 -0.001364 -0.007518 0.014087 0Rh 4dx2y2 -0.042012 0.040013 -0.009628 -0.001717 -0.054432 0.028182 0Rh 4dxy -0.047349 -0.134563 0.018919 0.021874 0.022967 0.008183 0Rh 5dz2 0.058470 -0.010025 0.011092 -0.013673 0.007142 -0.031686 0Rh 5dxz -0.089024 0.025506 -0.015577 0.020372 0.023938 0.053980 0Rh 5dyz -0.008784 0.033424 -0.009432 -0.001908 -0.006265 0.009218 0Rh 5dx2y2 -0.028662 0.032555 -0.009890 -0.001265 -0.031915 0.018976 0Rh 5dxy -0.033547 -0.096689 0.017382 0.020487 0.019718 0.004840 0Rh 1f0 -0.001240 0.004052 0.003635 -0.000451 0.000718 0.001741 0Rh 1f+1 -0.001154 0.000487 0.002782 -0.002305 -0.001345 -0.001321 0Rh 1f-1 0.004741 0.002144 -0.000048 0.002896 -0.002218 -0.005920 0Rh 1f+2 -0.003240 0.002254 0.001904 0.001296 -0.002739 0.006221 0Rh 1f-2 0.000943 0.002300 -0.000505 0.000993 -0.001889 0.000068 0Rh 1f+3 0.001181 -0.001957 0.000774 0.000888 -0.002498 -0.003276 0Rh 1f-3 -0.001151 -0.001231 -0.001848 -0.003129 -0.001034 0.000553 1Rh 1s -0.000544 -0.000993 0.000119 -0.000039 -0.003040 0.000054 1Rh 2s 0.002035 0.003734 -0.000439 0.000154 0.011473 -0.000211 1Rh 3s -0.001885 -0.003435 0.000415 -0.000132 -0.010487 0.000182 1Rh 4s -0.008655 -0.015884 0.001864 -0.000657 -0.048822 0.000902 1Rh 5s 0.006500 0.011991 -0.001340 0.000556 0.037064 -0.000706 1Rh 6s 0.014457 0.026385 -0.003333 0.000861 0.080489 -0.001476 1Rh 7s -0.024061 -0.045076 0.005150 -0.002296 -0.126432 0.001783 1Rh 8s 0.024030 0.032146 0.001558 0.006375 0.055009 0.002876 1Rh 1pz -0.013904 0.003071 0.004390 -0.004852 0.001300 -0.007443 1Rh 1px -0.003095 0.004726 0.002259 -0.000636 0.001085 -0.002239 1Rh 1py -0.003546 -0.012951 -0.004944 -0.004562 0.006172 -0.000170 1Rh 2pz 0.047069 -0.010400 -0.014851 0.016413 -0.004421 0.025224 1Rh 2px 0.010492 -0.015982 -0.007648 0.002149 -0.003607 0.007589 1Rh 2py 0.012010 0.043853 0.016721 0.015434 -0.020891 0.000576 1Rh 3pz -0.037128 0.008269 0.011546 -0.012734 0.003817 -0.020197 1Rh 3px -0.008500 0.012347 0.006054 -0.001599 0.001769 -0.006080 1Rh 3py -0.009539 -0.034762 -0.012957 -0.012041 0.016408 -0.000437 1Rh 4pz -0.064747 0.014180 0.020734 -0.023006 0.005152 -0.034503 1Rh 4px -0.013853 0.022678 0.010316 -0.003296 0.008048 -0.010402 1Rh 4py -0.016337 -0.059849 -0.023512 -0.021401 0.028955 -0.000902 1Rh 5pz 0.006788 -0.001854 -0.000638 0.000837 -0.000337 0.006151 1Rh 5px 0.001516 -0.002175 0.000207 0.000782 -0.001680 0.001923 1Rh 5py 0.001638 0.006022 0.001053 0.000390 -0.002750 0.000460 1Rh 6pz 0.050349 -0.002201 -0.036656 0.038226 0.012465 -0.048049 1Rh 6px 0.000802 -0.034894 -0.019003 0.000378 -0.055951 -0.015317 1Rh 6py 0.010287 0.044522 0.038802 0.037925 -0.036456 -0.004486 1Rh 1dz2 0.041747 -0.005875 -0.006659 0.008678 0.006199 0.023691 1Rh 1dxz -0.062386 0.019063 0.008324 -0.011116 0.021520 -0.040044 1Rh 1dyz -0.006498 0.023857 0.006496 0.000549 -0.003617 -0.007243 1Rh 1dx2y2 -0.021204 0.020819 0.007397 -0.000663 -0.026668 -0.014232 1Rh 1dxy -0.024300 -0.068974 -0.012217 -0.010869 0.012167 -0.004145 1Rh 2dz2 -0.001164 0.000122 0.000133 -0.000194 -0.000227 -0.000726 1Rh 2dxz 0.001747 -0.000578 -0.000155 0.000226 -0.000682 0.001249 1Rh 2dyz 0.000188 -0.000689 -0.000143 0.000003 0.000095 0.000235 1Rh 2dx2y2 0.000624 -0.000528 -0.000145 0.000028 0.000847 0.000445 1Rh 2dxy 0.000707 0.001984 0.000267 0.000209 -0.000297 0.000148 1Rh 3dz2 -0.061131 0.008799 0.009957 -0.012900 -0.008705 -0.034586 1Rh 3dxz 0.091650 -0.027716 -0.012523 0.016660 -0.031075 0.058525 1Rh 3dyz 0.009495 -0.034967 -0.009689 -0.000881 0.005371 0.010530 1Rh 3dx2y2 0.030859 -0.030861 -0.011069 0.000920 0.038334 0.020740 1Rh 3dxy 0.035563 0.101019 0.018235 0.016330 -0.018172 0.005990 1Rh 4dz2 -0.081392 0.010988 0.012403 -0.016345 -0.013118 -0.046602 1Rh 4dxz 0.120866 -0.037665 -0.015232 0.020556 -0.043265 0.078620 1Rh 4dyz 0.012783 -0.046415 -0.012147 -0.000837 0.006820 0.014399 1Rh 4dx2y2 0.041774 -0.039597 -0.013740 0.001394 0.054049 0.028061 1Rh 4dxy 0.047446 0.134423 0.022786 0.019971 -0.022802 0.008334 1Rh 5dz2 -0.058363 0.009785 0.011237 -0.013927 -0.005843 -0.031827 1Rh 5dxz 0.089302 -0.025090 -0.014740 0.019001 -0.026159 0.054317 1Rh 5dyz 0.008874 -0.033142 -0.010590 -0.001409 0.005693 0.009359 1Rh 5dx2y2 0.028504 -0.032201 -0.012486 0.000633 0.031483 0.018912 1Rh 5dxy 0.033631 0.096506 0.020353 0.018984 -0.019669 0.004934 1Rh 1f0 -0.001239 0.004125 -0.003583 0.000475 0.000507 -0.001749 1Rh 1f+1 -0.001146 0.000553 -0.002698 0.002220 -0.001635 0.001317 1Rh 1f-1 0.004738 0.002137 0.000215 -0.003034 -0.002041 0.005911 1Rh 1f+2 -0.003241 0.002271 -0.001702 -0.001450 -0.002764 -0.006228 1Rh 1f-2 0.000947 0.002281 0.000631 -0.001106 -0.001792 -0.000068 1Rh 1f+3 0.001180 -0.001944 -0.000674 -0.001024 -0.002506 0.003276 1Rh 1f-3 -0.001137 -0.001264 0.001890 0.003077 -0.001107 -0.000551 2C 1s 0.008216 0.002416 0.000075 -0.000180 -0.002755 -0.000158 2C 2s 0.018325 0.005385 0.000170 -0.000423 -0.006147 -0.000335 2C 3s -0.034081 -0.010262 -0.000311 0.001140 0.011375 -0.000101 2C 4s -0.022032 -0.004868 -0.000025 -0.001471 0.007443 0.004192 2C 5s -0.065067 -0.015849 -0.000419 0.018806 0.029472 0.011118 2C 1pz -0.102523 -0.041648 0.005410 -0.004683 0.024051 -0.013837 2C 1px -0.019153 -0.002454 -0.004009 0.021467 0.039495 0.043430 2C 1py -0.070825 -0.004389 -0.008783 0.002053 0.021903 0.006269 2C 2pz -0.080839 -0.033122 0.003410 -0.003225 0.018139 -0.010787 2C 2px -0.015460 -0.001789 -0.002993 0.016484 0.033823 0.036551 2C 2py -0.055502 -0.000639 -0.005711 0.002080 0.016828 0.006917 2C 3pz -0.043590 -0.014091 0.017086 0.004317 0.011071 -0.001604 2C 3px -0.015708 -0.004072 -0.006807 0.003225 0.014704 0.022831 2C 3py -0.028012 -0.005504 -0.023106 -0.003503 0.009727 0.000252 2C 1dz2 -0.003297 -0.000149 -0.000283 0.000156 0.001149 0.000997 2C 1dxz -0.002283 -0.000091 0.000273 -0.000948 -0.001170 -0.002856 2C 1dyz -0.004120 -0.001386 0.000122 0.000686 0.002245 0.001274 2C 1dx2y2 0.001783 0.001532 0.000104 0.000773 0.000396 0.001705 2C 1dxy -0.000620 -0.001252 -0.000267 -0.000527 -0.000354 -0.001856 2C 2dz2 -0.001381 0.001164 -0.000857 0.001518 0.000676 0.001600 2C 2dxz -0.001599 0.000023 0.000643 -0.002982 -0.001629 -0.002977 2C 2dyz -0.001581 -0.000448 0.000454 0.000631 0.000845 0.001506 2C 2dx2y2 0.002340 0.001690 0.000149 0.000239 -0.000491 0.001526 2C 2dxy -0.000076 -0.001210 -0.000362 -0.002209 -0.001139 -0.002835 2C 1f0 -0.000147 0.000303 -0.000392 0.000249 0.000247 0.000689 2C 1f+1 -0.000781 -0.000281 0.000277 -0.000231 -0.000009 -0.000524 2C 1f-1 -0.000482 -0.000062 0.000134 0.000169 0.000284 0.000396 2C 1f+2 0.000464 0.000205 0.000130 -0.000090 -0.000241 -0.000216 2C 1f-2 -0.000066 -0.000047 -0.000132 -0.000561 -0.000439 -0.000990 2C 1f+3 -0.000277 -0.000044 -0.000282 -0.000138 0.000002 -0.000305 2C 1f-3 -0.000513 -0.000162 -0.000109 0.000228 0.000418 0.000366 3C 1s 0.003096 -0.008158 -0.000057 0.000049 0.002291 -0.000143 3C 2s 0.006888 -0.018179 -0.000104 0.000113 0.005084 -0.000321 3C 3s -0.012802 0.033772 -0.000307 -0.000164 -0.009383 0.000660 3C 4s -0.007718 0.021107 0.002639 -0.000238 -0.006566 -0.000200 3C 5s -0.023902 0.068318 -0.014939 0.002405 0.002695 0.000158 3C 1pz -0.008672 0.053146 0.007508 -0.004054 -0.028859 -0.007497 3C 1px -0.006801 0.055174 -0.018550 -0.006768 0.017942 0.030171 3C 1py 0.049363 -0.098403 -0.005325 -0.003824 0.033281 0.006275 3C 2pz -0.004682 0.040980 0.005606 -0.002666 -0.023124 -0.006937 3C 2px -0.004422 0.044698 -0.014024 -0.003740 0.016239 0.023532 3C 2py 0.039523 -0.076220 -0.003990 -0.001855 0.025535 0.004903 3C 3pz -0.005189 0.017409 -0.000136 -0.008678 -0.004919 -0.001993 3C 3px -0.006687 0.025068 0.000302 -0.022211 0.004475 0.026382 3C 3py 0.019452 -0.046401 0.001222 -0.014289 0.011503 0.009655 3C 1dz2 0.000161 -0.000529 -0.000208 0.000243 0.000542 0.000398 3C 1dxz -0.001591 0.000781 0.001276 -0.000426 -0.002090 -0.001696 3C 1dyz 0.002047 -0.003781 0.000585 -0.000024 -0.000316 -0.001253 3C 1dx2y2 0.000148 -0.003556 0.000083 0.000053 0.000994 -0.000499 3C 1dxy 0.000661 -0.002467 -0.000288 -0.000247 0.001463 0.001147 3C 2dz2 -0.000717 0.000998 -0.001226 0.000680 0.000505 0.000278 3C 2dxz -0.001475 0.000323 0.001955 -0.000324 -0.001360 -0.001436 3C 2dyz 0.001424 -0.002022 0.001283 0.000381 -0.000694 -0.001125 3C 2dx2y2 -0.000665 -0.002751 0.001613 0.000429 0.000027 -0.000671 3C 2dxy 0.000113 -0.000363 -0.002389 -0.001196 0.001588 0.002076 3C 1f0 -0.000055 -0.000227 -0.000005 0.000263 -0.000015 -0.000130 3C 1f+1 -0.000181 0.000429 -0.000109 -0.000274 0.000110 0.000297 3C 1f-1 0.000308 -0.000274 0.000193 -0.000167 -0.000142 -0.000202 3C 1f+2 -0.000053 -0.000108 0.000206 -0.000053 -0.000183 -0.000311 3C 1f-2 0.000275 -0.000297 -0.000373 0.000155 0.000388 0.000338 3C 1f+3 -0.000336 0.000567 0.000242 0.000350 -0.000402 -0.000522 3C 1f-3 0.000143 -0.000922 0.000416 0.000199 -0.000132 -0.000619 4C 1s 0.002146 0.000720 -0.000007 0.000022 -0.001141 0.000008 4C 2s 0.004879 0.001618 0.000017 0.000055 -0.002551 0.000021 4C 3s -0.007637 -0.002370 0.000082 0.000170 0.004290 0.000552 4C 4s 0.001092 -0.000942 -0.001835 -0.001708 0.003034 -0.002749 4C 5s 0.038003 0.015837 -0.002779 -0.011906 -0.019207 -0.009650 4C 1pz 0.075777 0.035946 0.001154 -0.007767 -0.038016 -0.000633 4C 1px 0.019160 0.023271 -0.003264 0.016962 0.022029 0.002327 4C 1py 0.067017 -0.006733 0.000889 0.004451 -0.003822 -0.000054 4C 2pz 0.063893 0.029832 -0.000129 -0.001136 -0.030037 0.005865 4C 2px 0.013722 0.017867 -0.000653 -0.002616 0.013081 -0.016474 4C 2py 0.054792 -0.002472 0.000185 0.000027 -0.005206 -0.003073 4C 3pz 0.026629 0.011619 -0.004641 0.001474 -0.002858 0.017514 4C 3px 0.011229 0.005831 0.005275 -0.002369 -0.017239 -0.032888 4C 3py 0.018994 0.006787 0.009022 0.004954 -0.007231 -0.000611 4C 1dz2 -0.010729 -0.002764 -0.004156 -0.003299 -0.001211 -0.005439 4C 1dxz -0.007022 0.000420 0.005202 0.005442 0.008918 0.008870 4C 1dyz -0.008284 -0.003322 0.005475 0.001025 0.002781 0.001026 4C 1dx2y2 0.011481 0.004485 0.006717 0.001434 -0.003386 0.002144 4C 1dxy 0.003276 0.002402 -0.012061 0.001090 0.004098 0.003147 4C 2dz2 -0.015084 -0.009129 -0.007622 -0.001920 -0.000008 -0.005619 4C 2dxz -0.011481 -0.002322 0.010774 0.003048 0.013882 0.008375 4C 2dyz -0.014233 -0.003402 0.010010 0.001757 0.003969 0.001442 4C 2dx2y2 0.019956 0.004878 0.012553 0.001951 -0.004967 0.003670 4C 2dxy 0.005106 0.003452 -0.022070 -0.003411 0.005515 -0.000196 4C 1f0 -0.000876 -0.001275 -0.001845 -0.002084 -0.002059 -0.003841 4C 1f+1 -0.000523 0.000037 0.001918 0.002233 0.002880 0.003903 4C 1f-1 0.000292 -0.000170 0.001619 -0.000249 -0.001179 -0.000649 4C 1f+2 0.000969 0.000534 0.000932 0.001381 0.000996 0.002576 4C 1f-2 0.000685 0.001545 -0.002002 0.001656 0.002927 0.003662 4C 1f+3 0.000855 0.000385 -0.003137 0.001313 0.001961 0.002900 4C 1f-3 -0.001222 0.000242 -0.000791 0.000291 0.000096 0.000656 5C 1s 0.000742 -0.002163 -0.000002 -0.000016 0.001176 -0.000092 5C 2s 0.001683 -0.004886 -0.000011 -0.000042 0.002631 -0.000184 5C 3s -0.002625 0.007626 0.000349 0.000193 -0.004299 0.000495 5C 4s 0.001325 -0.001316 -0.002674 -0.001101 -0.003504 -0.001069 5C 5s 0.018320 -0.044343 0.003470 -0.006028 0.001373 -0.005256 5C 1pz -0.008253 -0.061056 0.006037 0.001416 0.010708 -0.000108 5C 1px 0.012570 -0.019681 -0.018242 -0.001683 0.040934 0.001354 5C 1py -0.046758 0.078119 -0.001184 -0.000837 -0.010526 0.000892 5C 2pz -0.004167 -0.049894 -0.000932 -0.000140 0.010716 0.003492 5C 2px 0.012514 -0.019591 0.001884 -0.000239 0.027388 -0.011385 5C 2py -0.037704 0.065202 0.002108 0.000361 -0.010486 -0.000753 5C 3pz 0.003687 -0.011612 -0.001809 0.003292 0.013381 0.005027 5C 3px 0.006742 -0.019094 -0.000708 0.007826 -0.004938 -0.028115 5C 3py -0.012562 0.027202 0.006859 0.002218 -0.019446 -0.002181 5C 1dz2 -0.002974 0.002048 0.000315 0.007141 -0.003360 -0.004539 5C 1dxz -0.003158 0.009571 0.000026 -0.011593 0.001694 0.007175 5C 1dyz 0.003371 -0.003791 -0.002029 0.000259 0.004402 0.001970 5C 1dx2y2 0.005034 -0.012400 -0.002559 -0.000649 0.008324 0.003008 5C 1dxy 0.001380 -0.010314 0.005588 -0.008618 -0.004048 -0.001168 5C 2dz2 -0.000822 0.005759 -0.001632 0.012769 -0.006321 -0.005974 5C 2dxz -0.003428 0.016259 0.004211 -0.020987 0.000347 0.010335 5C 2dyz 0.003311 -0.007532 -0.000451 0.001142 0.007118 0.001167 5C 2dx2y2 0.011891 -0.020383 -0.000674 -0.001276 0.012641 0.001980 5C 2dxy 0.002515 -0.016221 0.003266 -0.017069 -0.004448 0.002306 5C 1f0 -0.000194 0.000707 0.000384 0.002356 -0.001082 -0.001830 5C 1f+1 0.000271 0.001147 -0.000079 -0.002291 -0.000119 0.001438 5C 1f-1 0.000170 0.000691 -0.000588 -0.001482 0.001466 0.001605 5C 1f+2 -0.000089 0.001439 -0.001800 -0.001221 0.002781 0.003064 5C 1f-2 -0.000216 -0.001266 0.000352 0.001672 -0.001671 -0.001600 5C 1f+3 0.000107 0.001817 -0.002500 0.002568 0.002394 0.001713 5C 1f-3 0.001493 0.000403 -0.002080 0.000425 0.002868 0.002232 6C 1s -0.000747 0.002173 0.000106 -0.000087 -0.001163 -0.000099 6C 2s -0.001694 0.004908 0.000231 -0.000201 -0.002603 -0.000198 6C 3s 0.002642 -0.007648 -0.000025 0.000451 0.004251 0.000501 6C 4s -0.001305 0.001151 -0.002941 -0.000938 0.003390 -0.000935 6C 5s -0.018046 0.044134 0.004491 -0.006411 -0.000576 -0.005378 6C 1pz -0.008298 -0.060975 -0.007774 -0.000538 0.010446 0.000144 6C 1px 0.012543 -0.020041 0.015344 0.004014 0.041714 -0.001289 6C 1py -0.046840 0.078066 0.003237 0.000018 -0.010502 -0.000955 6C 2pz -0.004205 -0.049944 -0.000652 0.000945 0.010756 -0.003443 6C 2px 0.012483 -0.019574 -0.003804 0.001908 0.027126 0.011341 6C 2py -0.037794 0.065225 -0.000261 -0.001112 -0.010560 0.000681 6C 3pz 0.003742 -0.011585 0.001039 -0.002604 0.013780 -0.004919 6C 3px 0.006753 -0.019235 0.000751 -0.007973 -0.004201 0.027948 6C 3py -0.012548 0.027150 -0.005421 -0.003483 -0.019893 0.002238 6C 1dz2 0.002994 -0.002020 0.000062 0.007329 0.002970 -0.004565 6C 1dxz 0.003137 -0.009614 -0.000026 -0.011631 -0.001044 0.007220 6C 1dyz -0.003374 0.003834 -0.001694 0.000003 -0.004520 0.001961 6C 1dx2y2 -0.005041 0.012456 -0.001827 -0.001158 -0.008409 0.002994 6C 1dxy -0.001399 0.010156 0.005546 -0.008409 0.004846 -0.001147 6C 2dz2 0.000843 -0.005647 -0.002115 0.013159 0.005484 -0.006031 6C 2dxz 0.003399 -0.016419 0.003950 -0.020925 0.001086 0.010421 6C 2dyz -0.003315 0.007562 0.000111 0.000704 -0.007178 0.001155 6C 2dx2y2 -0.011907 0.020400 0.000424 -0.002082 -0.012565 0.001976 6C 2dxy -0.002564 0.016100 0.003362 -0.016796 0.005563 0.002304 6C 1f0 -0.000201 0.000708 -0.000300 -0.002413 -0.000970 0.001834 6C 1f+1 0.000279 0.001154 0.000098 0.002273 -0.000243 -0.001441 6C 1f-1 0.000174 0.000683 0.000511 0.001556 0.001414 -0.001609 6C 1f+2 -0.000087 0.001406 0.001657 0.001364 0.002813 -0.003067 6C 1f-2 -0.000220 -0.001262 -0.000273 -0.001759 -0.001590 0.001605 6C 1f+3 0.000105 0.001750 0.002392 -0.002443 0.002680 -0.001702 6C 1f-3 0.001493 0.000361 0.001916 -0.000266 0.003004 -0.002230 7C 1s -0.002164 -0.000728 -0.000086 0.000103 0.001141 0.000031 7C 2s -0.004920 -0.001636 -0.000159 0.000237 0.002554 0.000073 7C 3s 0.007711 0.002376 0.000381 -0.000133 -0.004330 0.000495 7C 4s -0.000984 0.001148 -0.001726 -0.001929 -0.002958 -0.003086 7C 5s -0.037740 -0.015527 -0.004321 -0.010954 0.019866 -0.010128 7C 1pz 0.075757 0.036119 0.001687 0.005325 -0.038294 0.000653 7C 1px 0.019142 0.023165 0.002706 -0.015842 0.023088 -0.002438 7C 1py 0.067238 -0.006579 -0.000786 -0.004767 -0.003675 0.000070 7C 2pz 0.063885 0.029825 0.002428 -0.000768 -0.029949 -0.005840 7C 2px 0.013757 0.017863 0.000336 0.003173 0.012890 0.016489 7C 2py 0.054968 -0.002416 0.000062 -0.000428 -0.005280 0.003114 7C 3pz 0.026393 0.011708 0.005189 -0.002042 -0.002448 -0.017585 7C 3px 0.011429 0.006011 -0.003622 0.001418 -0.017513 0.032986 7C 3py 0.019119 0.007120 -0.008410 -0.005695 -0.007409 0.000578 7C 1dz2 0.010719 0.002830 -0.004141 -0.003267 0.001164 -0.005438 7C 1dxz 0.007012 -0.000491 0.005651 0.004930 -0.008884 0.008855 7C 1dyz 0.008310 0.003225 0.005678 0.000837 -0.002522 0.000993 7C 1dx2y2 -0.011520 -0.004630 0.006398 0.001671 0.003668 0.002130 7C 1dxy -0.003274 -0.002167 -0.011867 0.000870 -0.004807 0.003208 7C 2dz2 0.015094 0.009248 -0.007408 -0.002020 -0.000333 -0.005583 7C 2dxz 0.011468 0.002112 0.011585 0.002266 -0.013387 0.008351 7C 2dyz 0.014277 0.003220 0.010273 0.001497 -0.003512 0.001386 7C 2dx2y2 -0.020006 -0.005127 0.012092 0.002322 0.005565 0.003601 7C 2dxy -0.005098 -0.003034 -0.021800 -0.003697 -0.006497 -0.000113 7C 1f0 -0.000871 -0.001297 0.001917 0.001971 -0.002057 0.003828 7C 1f+1 -0.000526 0.000061 -0.002072 -0.002072 0.002886 -0.003906 7C 1f-1 0.000296 -0.000139 -0.001551 0.000184 -0.001279 0.000658 7C 1f+2 0.000959 0.000542 -0.000960 -0.001324 0.001015 -0.002566 7C 1f-2 0.000677 0.001495 0.001868 -0.001500 0.003118 -0.003679 7C 1f+3 0.000852 0.000318 0.003040 -0.001202 0.002202 -0.002921 7C 1f-3 -0.001223 0.000228 0.000798 -0.000281 0.000162 -0.000667 8C 1s -0.003097 0.008157 0.000232 -0.000105 -0.002287 -0.000155 8C 2s -0.006891 0.018178 0.000539 -0.000229 -0.005073 -0.000347 8C 3s 0.012812 -0.033771 -0.001506 0.000472 0.009333 0.000707 8C 4s 0.007705 -0.021103 0.001908 0.000167 0.006708 -0.000171 8C 5s 0.023751 -0.068113 -0.016601 0.002578 -0.004281 0.000334 8C 1pz -0.008680 0.053389 -0.004849 0.002384 -0.029490 0.007382 8C 1px -0.006830 0.054928 0.018481 0.007493 0.018579 -0.030201 8C 1py 0.049421 -0.098418 0.001503 0.006045 0.033246 -0.006198 8C 2pz -0.004671 0.041148 -0.003507 0.001297 -0.023571 0.006883 8C 2px -0.004445 0.044501 0.013870 0.004460 0.016780 -0.023567 8C 2py 0.039546 -0.076191 0.001055 0.003554 0.025553 -0.004843 8C 3pz -0.005213 0.017503 0.000679 0.008802 -0.005363 0.001686 8C 3px -0.006702 0.025343 -0.000051 0.022002 0.003176 -0.026280 8C 3py 0.019422 -0.046219 -0.002903 0.015254 0.010444 -0.009698 8C 1dz2 -0.000156 0.000544 -0.000153 0.000212 -0.000543 0.000375 8C 1dxz 0.001610 -0.000809 0.001133 -0.000306 0.002171 -0.001686 8C 1dyz -0.002039 0.003775 0.000645 -0.000016 0.000366 -0.001270 8C 1dx2y2 -0.000157 0.003548 0.000198 -0.000017 -0.001002 -0.000489 8C 1dxy -0.000659 0.002471 -0.000164 -0.000338 -0.001481 0.001158 8C 2dz2 0.000723 -0.000947 -0.001206 0.000665 -0.000608 0.000256 8C 2dxz 0.001495 -0.000362 0.001869 -0.000247 0.001481 -0.001428 8C 2dyz -0.001409 0.001969 0.001278 0.000404 0.000755 -0.001133 8C 2dx2y2 0.000666 0.002710 0.001649 0.000413 0.000034 -0.000660 8C 2dxy -0.000106 0.000397 -0.002289 -0.001271 -0.001668 0.002094 8C 1f0 -0.000056 -0.000228 0.000006 -0.000263 0.000003 0.000129 8C 1f+1 -0.000181 0.000432 0.000112 0.000277 0.000100 -0.000299 8C 1f-1 0.000308 -0.000265 -0.000191 0.000161 -0.000164 0.000201 8C 1f+2 -0.000051 -0.000103 -0.000197 0.000045 -0.000198 0.000310 8C 1f-2 0.000272 -0.000300 0.000345 -0.000132 0.000415 -0.000337 8C 1f+3 -0.000339 0.000575 -0.000205 -0.000372 -0.000397 0.000521 8C 1f-3 0.000138 -0.000910 -0.000425 -0.000202 -0.000147 0.000621 9C 1s -0.008228 -0.002424 -0.000128 0.000003 0.002758 -0.000153 9C 2s -0.018351 -0.005404 -0.000282 -0.000017 0.006156 -0.000325 9C 3s 0.034135 0.010293 0.000527 0.000395 -0.011416 -0.000133 9C 4s 0.022056 0.004947 0.000515 -0.002010 -0.007291 0.004206 9C 5s 0.065127 0.015649 0.001271 0.017636 -0.030726 0.011333 9C 1pz -0.102282 -0.041564 -0.007719 0.006406 0.023274 0.013936 9C 1px -0.019160 -0.002665 0.001682 -0.019197 0.040687 -0.043504 9C 1py -0.071524 -0.004860 0.007545 -0.000596 0.022585 -0.006237 9C 2pz -0.080612 -0.033112 -0.005194 0.004537 0.017587 0.010849 9C 2px -0.015479 -0.001974 0.001097 -0.014536 0.034705 -0.036560 9C 2py -0.056075 -0.001026 0.004797 -0.000982 0.017298 -0.006862 9C 3pz -0.043301 -0.013636 -0.017936 -0.003718 0.010272 0.001634 9C 3px -0.015852 -0.004252 0.004663 -0.002539 0.015123 -0.023162 9C 3py -0.028462 -0.006031 0.022608 0.004160 0.010901 -0.000358 9C 1dz2 0.003280 0.000158 -0.000219 0.000085 -0.001167 0.001002 9C 1dxz 0.002273 0.000094 0.000223 -0.000904 0.001263 -0.002900 9C 1dyz 0.004153 0.001374 0.000267 0.000540 -0.002259 0.001266 9C 1dx2y2 -0.001789 -0.001571 0.000078 0.000756 -0.000414 0.001704 9C 1dxy 0.000609 0.001231 -0.000256 -0.000482 0.000320 -0.001786 9C 2dz2 0.001390 -0.001121 -0.000853 0.001474 -0.000803 0.001594 9C 2dxz 0.001582 -0.000037 0.000574 -0.002890 0.001845 -0.003017 9C 2dyz 0.001570 0.000431 0.000505 0.000574 -0.000823 0.001502 9C 2dx2y2 -0.002307 -0.001720 0.000066 0.000275 0.000484 0.001529 9C 2dxy 0.000041 0.001180 -0.000394 -0.002137 0.001229 -0.002767 9C 1f0 -0.000148 0.000294 0.000386 -0.000231 0.000276 -0.000682 9C 1f+1 -0.000776 -0.000271 -0.000282 0.000228 -0.000035 0.000516 9C 1f-1 -0.000486 -0.000063 -0.000150 -0.000153 0.000287 -0.000401 9C 1f+2 0.000460 0.000207 -0.000111 0.000071 -0.000248 0.000214 9C 1f-2 -0.000070 -0.000051 0.000150 0.000539 -0.000462 0.000994 9C 1f+3 -0.000273 -0.000047 0.000279 0.000145 -0.000000 0.000316 9C 1f-3 -0.000528 -0.000167 0.000085 -0.000203 0.000438 -0.000367 10H 1s 0.019606 0.008864 -0.002065 0.011849 0.012591 0.026428 10H 2s 0.031103 0.013896 -0.002475 0.018170 0.019436 0.041342 10H 3s 0.034610 0.011721 0.007531 0.006696 -0.000729 0.016315 10H 1pz -0.002408 -0.000944 0.000432 0.000609 0.001348 0.000672 10H 1px -0.002520 -0.001097 0.000387 -0.000884 -0.000793 -0.002068 10H 1py -0.001963 -0.000023 -0.000614 0.000062 0.000545 0.000085 11H 1s 0.012182 0.012236 -0.001512 -0.005514 -0.013974 -0.009907 11H 2s 0.017521 0.017854 -0.001537 -0.008735 -0.022478 -0.016950 11H 3s 0.021713 0.014845 0.015103 -0.004420 -0.015966 -0.001516 11H 1pz -0.002541 -0.000874 0.000356 -0.000452 -0.000034 -0.001035 11H 1px -0.000053 0.000636 -0.000705 0.000104 0.000072 0.000252 11H 1py -0.003103 -0.000991 0.000057 0.000420 0.001736 0.001118 12H 1s 0.016819 -0.006831 0.004014 -0.006985 -0.013730 -0.017032 12H 2s 0.026367 -0.010049 0.005289 -0.011391 -0.022900 -0.027270 12H 3s 0.027924 -0.003016 -0.020564 -0.013155 -0.014692 -0.016625 12H 1pz -0.004132 -0.000895 -0.000616 0.000016 0.001555 0.000475 12H 1px -0.000192 -0.000592 0.000357 0.000231 0.000389 0.000335 12H 1py -0.000544 -0.000614 0.000316 -0.000628 -0.000900 -0.001444 13H 1s 0.006456 -0.008738 -0.011176 -0.000759 0.021880 0.016549 13H 2s 0.010560 -0.014746 -0.017647 -0.000075 0.035001 0.026108 13H 3s 0.011206 -0.027200 -0.008483 0.011909 0.018166 0.001756 13H 1pz 0.000278 0.001068 -0.000675 -0.000492 0.000840 0.001145 13H 1px -0.000792 0.002041 0.000731 -0.000036 -0.001980 -0.001151 13H 1py 0.001435 -0.002968 0.000294 -0.000513 0.000611 0.000095 14H 1s -0.003608 -0.023193 0.008061 0.002658 -0.006285 -0.013167 14H 2s -0.005282 -0.036099 0.012895 0.003186 -0.011470 -0.021329 14H 3s 0.001434 -0.034214 0.011681 -0.021679 0.001235 0.003759 14H 1pz -0.000198 0.000323 0.000569 0.000088 -0.001125 -0.000895 14H 1px -0.000726 -0.000294 0.000362 0.000423 -0.000657 -0.000852 14H 1py 0.001345 -0.004132 -0.000023 0.000534 0.000660 -0.000758 15H 1s 0.015465 -0.015818 0.002467 -0.001545 -0.002354 -0.003987 15H 2s 0.022710 -0.023614 0.004258 -0.002408 -0.005328 -0.006423 15H 3s 0.018214 -0.022798 0.003455 0.010374 -0.001630 -0.007690 15H 1pz -0.001633 0.003148 -0.000003 0.000418 -0.000608 0.000020 15H 1px -0.000122 0.001690 -0.000413 -0.000641 0.000346 0.000991 15H 1py 0.000708 -0.001963 -0.000364 -0.000105 0.001313 0.000513 16H 1s -0.004161 -0.002643 0.000121 0.000915 -0.000475 0.004760 16H 2s -0.008049 -0.004915 -0.000229 0.004168 -0.003194 0.005804 16H 3s 0.006229 0.000448 0.001027 -0.004172 -0.001207 -0.008611 16H 1pz -0.000075 -0.000262 0.000251 0.000653 0.001409 0.000640 16H 1px -0.000864 -0.000374 0.000097 0.000217 -0.002690 0.000544 16H 1py -0.000253 0.000639 -0.000592 0.000027 -0.002160 0.000375 17H 1s 0.001178 -0.004876 0.000864 -0.000125 -0.000862 -0.003566 17H 2s 0.002302 -0.009246 0.004933 -0.000587 -0.004172 -0.005510 17H 3s -0.002328 0.004309 -0.003355 0.000064 -0.000932 0.006226 17H 1pz -0.000014 0.000782 -0.000448 -0.000366 0.000475 0.000609 17H 1px 0.000154 -0.000408 -0.000073 -0.000255 -0.003003 -0.000382 17H 1py 0.000433 0.000300 0.000403 -0.000551 -0.002172 -0.000845 18H 1s -0.001289 0.004843 0.000919 -0.000122 0.000956 -0.003701 18H 2s -0.002442 0.009094 0.004953 -0.000574 0.004530 -0.005687 18H 3s 0.002432 -0.004144 -0.003493 0.000146 0.000665 0.006327 18H 1pz -0.000032 0.000772 0.000441 0.000366 0.000532 -0.000642 18H 1px 0.000149 -0.000410 0.000242 0.000068 -0.003011 0.000360 18H 1py 0.000411 0.000335 -0.000258 0.000422 -0.002240 0.000815 19H 1s 0.004101 0.002752 0.000181 0.000922 0.000433 0.004677 19H 2s 0.008001 0.005112 -0.000047 0.004305 0.002971 0.005701 19H 3s -0.006205 -0.000623 0.000927 -0.004116 0.001586 -0.008523 19H 1pz -0.000062 -0.000276 -0.000361 -0.000570 0.001465 -0.000613 19H 1px -0.000867 -0.000397 0.000050 -0.000367 -0.002678 -0.000551 19H 1py -0.000294 0.000615 0.000725 -0.000163 -0.002124 -0.000418 20H 1s -0.015446 0.015789 0.002712 -0.001469 0.002730 -0.004120 20H 2s -0.022676 0.023579 0.004531 -0.002193 0.005960 -0.006635 20H 3s -0.018194 0.022833 0.003853 0.010678 0.001383 -0.007974 20H 1pz -0.001633 0.003154 0.000106 -0.000465 -0.000566 -0.000034 20H 1px -0.000112 0.001677 0.000417 0.000651 0.000322 -0.000985 20H 1py 0.000715 -0.001967 0.000255 0.000186 0.001335 -0.000518 21H 1s 0.003662 0.023035 0.008046 0.002924 0.006478 -0.013105 21H 2s 0.005362 0.035853 0.012785 0.003691 0.011867 -0.021234 21H 3s -0.001359 0.033820 0.012441 -0.021829 0.000680 0.003813 21H 1pz -0.000202 0.000321 -0.000501 -0.000147 -0.001156 0.000899 21H 1px -0.000729 -0.000275 -0.000316 -0.000459 -0.000637 0.000838 21H 1py 0.001344 -0.004138 -0.000092 -0.000481 0.000693 0.000762 22H 1s -0.006547 0.008943 -0.009734 -0.001999 -0.022461 0.016563 22H 2s -0.010703 0.015085 -0.015306 -0.002081 -0.035966 0.026115 22H 3s -0.011254 0.027461 -0.006817 0.010468 -0.019251 0.001876 22H 1pz 0.000280 0.001066 0.000637 0.000540 0.000835 -0.001139 22H 1px -0.000805 0.002058 -0.000583 -0.000078 -0.002033 0.001156 22H 1py 0.001432 -0.002950 -0.000390 0.000555 0.000550 -0.000085 23H 1s -0.016982 0.006703 0.003471 -0.006057 0.014080 -0.016767 23H 2s -0.026561 0.009895 0.004391 -0.009874 0.023438 -0.026898 23H 3s -0.027936 0.003394 -0.020983 -0.012300 0.014126 -0.016298 23H 1pz -0.004142 -0.000908 0.000508 0.000089 0.001573 -0.000467 23H 1px -0.000212 -0.000576 -0.000397 -0.000227 0.000415 -0.000376 23H 1py -0.000547 -0.000616 -0.000286 0.000571 -0.000936 0.001439 24H 1s -0.012177 -0.012120 -0.002523 -0.004792 0.014333 -0.010245 24H 2s -0.017524 -0.017693 -0.003120 -0.007593 0.023122 -0.017502 24H 3s -0.021796 -0.015092 0.014466 -0.003465 0.017180 -0.001638 24H 1pz -0.002530 -0.000872 -0.000376 0.000465 -0.000090 0.001050 24H 1px -0.000051 0.000623 0.000713 -0.000082 0.000077 -0.000206 24H 1py -0.003121 -0.000983 -0.000179 -0.000316 0.001756 -0.001134 25H 1s -0.019531 -0.008905 -0.001654 0.011217 -0.013310 0.026518 25H 2s -0.031038 -0.013977 -0.001886 0.017191 -0.020477 0.041460 25H 3s -0.034643 -0.012010 0.006494 0.006711 0.000804 0.016171 25H 1pz -0.002385 -0.000926 -0.000520 -0.000531 0.001356 -0.000688 25H 1px -0.002509 -0.001101 -0.000372 0.000850 -0.000861 0.002077 25H 1py -0.002015 -0.000057 0.000589 -0.000011 0.000568 -0.000048 26O 1s -0.001343 0.000632 -0.000696 0.003347 0.005149 -0.000233 26O 2s -0.003429 0.001448 -0.001667 0.008092 0.012413 -0.000610 26O 3s 0.007908 -0.001319 0.002554 -0.013716 -0.019783 0.001348 26O 4s 0.005137 -0.005032 0.004222 -0.012790 -0.029906 -0.003221 26O 5s -0.039736 -0.021232 0.002235 -0.021080 -0.011630 0.050903 26O 1pz -0.101363 0.013745 0.091774 0.091681 0.140154 0.167258 26O 1px -0.055820 -0.031204 0.075212 -0.049653 -0.083855 -0.067104 26O 1py -0.069892 -0.036411 -0.177439 -0.009888 0.060137 0.016789 26O 2pz -0.085262 0.011396 0.077719 0.076502 0.120195 0.143128 26O 2px -0.042665 -0.024518 0.063279 -0.042348 -0.069074 -0.058847 26O 2py -0.057976 -0.028792 -0.150087 -0.008810 0.052421 0.015119 26O 3pz -0.070991 0.009355 0.055597 0.055647 0.083040 0.111383 26O 3px -0.004858 -0.004252 0.046433 -0.040244 -0.053240 -0.046284 26O 3py -0.034446 -0.022174 -0.108264 -0.011205 0.036135 0.013791 26O 1dz2 -0.001439 -0.000762 0.000137 -0.000090 -0.000010 -0.000290 26O 1dxz 0.001162 -0.000224 -0.001085 -0.000772 -0.001021 -0.001843 26O 1dyz -0.000010 -0.000008 -0.000407 -0.000133 -0.000130 -0.000756 26O 1dx2y2 0.001334 0.000202 -0.001578 0.000342 0.001021 0.000684 26O 1dxy 0.001629 0.000913 0.001707 0.000322 -0.000159 -0.000089 26O 2dz2 -0.004439 -0.001600 0.002037 -0.000309 0.002303 0.002302 26O 2dxz 0.002694 -0.001188 -0.001942 -0.002031 -0.002751 -0.004136 26O 2dyz -0.004129 -0.000713 -0.002336 -0.000906 0.002959 0.003181 26O 2dx2y2 0.002414 -0.000844 -0.002401 0.001291 0.001481 0.000981 26O 2dxy 0.001788 0.001667 0.004894 0.000974 -0.000828 0.000867 26O 1f0 0.000280 -0.000197 -0.000053 0.000078 0.000065 -0.000033 26O 1f+1 0.000336 0.000325 0.000451 0.000528 0.000538 0.000703 26O 1f-1 -0.000403 0.000215 0.000652 0.000295 0.000560 0.000857 26O 1f+2 -0.000205 0.000078 0.001061 0.000042 -0.000287 -0.000049 26O 1f-2 -0.000337 0.000032 0.000235 0.000122 0.000390 0.000479 26O 1f+3 0.000110 -0.000488 -0.001388 -0.000119 0.000403 -0.000062 26O 1f-3 0.000530 0.000438 0.000156 0.000372 0.000186 0.000315 27O 1s 0.000038 0.004042 -0.003317 -0.000548 0.003376 -0.000021 27O 2s 0.000017 0.009891 -0.008006 -0.001317 0.008011 -0.000093 27O 3s 0.000970 -0.017703 0.013399 0.002103 -0.011197 0.000517 27O 4s -0.001238 -0.020861 0.012777 0.002644 -0.022180 -0.003143 27O 5s -0.023333 0.026454 0.025796 0.002902 -0.029916 0.036998 27O 1pz -0.033985 0.093029 -0.018355 -0.176108 0.071865 0.134552 27O 1px -0.040348 0.018185 0.058986 -0.030297 -0.091245 -0.025264 27O 1py 0.010724 -0.163173 0.079424 -0.113027 -0.046454 -0.036115 27O 2pz -0.027789 0.079636 -0.014862 -0.148652 0.060897 0.114039 27O 2px -0.031237 0.012345 0.050063 -0.025453 -0.072846 -0.022873 27O 2py 0.008854 -0.137431 0.066279 -0.096044 -0.041447 -0.031309 27O 3pz -0.028299 0.061236 -0.011925 -0.107355 0.040379 0.087017 27O 3px -0.009654 -0.016071 0.043790 -0.018419 -0.040284 -0.019815 27O 3py 0.005367 -0.104016 0.046122 -0.068025 -0.024474 -0.027714 27O 1dz2 -0.000435 0.001003 0.000296 -0.000438 -0.000834 0.000115 27O 1dxz 0.000499 -0.000514 0.000072 0.001982 -0.000842 -0.001540 27O 1dyz 0.000006 -0.000845 0.000308 -0.000240 -0.000071 0.000069 27O 1dx2y2 0.001204 -0.001266 -0.000628 0.000613 0.001452 0.000150 27O 1dxy -0.000193 0.001719 -0.000586 0.001289 -0.000159 0.000461 27O 2dz2 0.000136 0.000162 0.001061 -0.003355 -0.000831 0.000052 27O 2dxz 0.001830 -0.000578 0.000511 0.004649 -0.002151 -0.003339 27O 2dyz 0.000897 -0.006660 -0.000120 -0.000322 -0.000816 -0.002655 27O 2dx2y2 0.002412 -0.004179 -0.001631 0.000031 0.001043 -0.000680 27O 2dxy 0.000823 0.002431 -0.001986 0.003578 0.000291 -0.000387 27O 1f0 0.000479 -0.000434 -0.000113 0.000918 -0.000315 -0.000736 27O 1f+1 0.000202 -0.000115 -0.000294 -0.000322 0.000495 0.000337 27O 1f-1 -0.000009 -0.000096 -0.000088 0.000700 -0.000104 -0.000309 27O 1f+2 -0.000257 -0.000584 0.000188 -0.000952 0.000025 0.000217 27O 1f-2 0.000157 -0.000263 0.000078 0.000917 -0.000547 -0.000755 27O 1f+3 0.000430 0.000407 -0.000612 0.000951 0.000550 0.000065 27O 1f-3 0.000131 0.000401 0.000091 0.000568 -0.000472 -0.000323 28O 1s -0.002994 -0.002024 0.000708 -0.003297 -0.003149 0.000310 28O 2s -0.007391 -0.004904 0.001710 -0.007942 -0.007453 0.000824 28O 3s 0.014138 0.008167 -0.002794 0.013034 0.010087 -0.002114 28O 4s 0.013064 0.011113 -0.003632 0.013902 0.021728 0.004083 28O 5s -0.023986 -0.000559 -0.001396 0.022897 0.027681 -0.052500 28O 1pz -0.138091 -0.035921 -0.104528 -0.046114 -0.003056 -0.102126 28O 1px -0.044797 -0.036306 -0.053661 -0.093542 -0.112471 -0.139237 28O 1py -0.087376 -0.070331 0.185427 -0.011417 -0.032059 -0.054782 28O 2pz -0.114132 -0.030845 -0.088603 -0.038137 -0.006167 -0.086334 28O 2px -0.040637 -0.031161 -0.045853 -0.078530 -0.091718 -0.119469 28O 2py -0.074200 -0.058678 0.157091 -0.008910 -0.028370 -0.047383 28O 3pz -0.077832 -0.018704 -0.064848 -0.023660 -0.007567 -0.070838 28O 3px -0.055860 -0.027012 -0.030049 -0.063744 -0.053481 -0.093945 28O 3py -0.057192 -0.048474 0.110230 -0.007382 -0.015342 -0.042123 28O 1dz2 0.000907 -0.000044 0.001103 0.000658 0.000493 0.001581 28O 1dxz -0.002150 -0.000426 -0.000569 0.000120 0.001319 -0.000169 28O 1dyz -0.000031 0.000380 -0.001183 -0.000234 -0.000138 0.000395 28O 1dx2y2 0.000488 -0.000196 -0.000531 -0.000732 -0.001256 -0.001210 28O 1dxy -0.001040 -0.000856 0.001862 -0.000063 -0.000067 -0.000606 28O 2dz2 0.000792 -0.001268 0.001210 0.001654 0.001080 0.001383 28O 2dxz -0.005026 -0.001476 -0.003154 0.000107 0.000751 -0.002079 28O 2dyz -0.004695 -0.000456 -0.002229 0.000250 -0.000512 -0.003489 28O 2dx2y2 0.000313 -0.000228 -0.003125 -0.002253 -0.001666 -0.002417 28O 2dxy -0.003821 -0.003241 0.004949 0.000206 -0.000424 -0.002702 28O 1f0 -0.000174 0.000098 -0.001325 -0.000489 -0.000353 -0.000689 28O 1f+1 0.000528 -0.000351 0.000944 -0.000017 -0.000256 0.000144 28O 1f-1 -0.000669 -0.000474 0.000205 -0.000128 -0.000282 -0.000742 28O 1f+2 0.000094 0.000166 -0.000507 0.000342 0.000619 0.000603 28O 1f-2 -0.000281 0.000314 -0.001226 -0.000311 -0.000245 -0.000474 28O 1f+3 -0.000136 0.000064 -0.000192 0.000087 0.000112 0.000029 28O 1f-3 0.000158 0.000371 -0.000704 -0.000321 -0.000375 -0.000263 29O 1s -0.000769 -0.001830 0.000250 0.000157 -0.001205 0.000163 29O 2s -0.001879 -0.004449 0.000602 0.000372 -0.003070 0.000384 29O 3s 0.003289 0.007537 -0.000897 -0.000452 0.007085 -0.000500 29O 4s 0.002840 0.007810 -0.001257 -0.001161 -0.003804 -0.001522 29O 5s 0.008735 0.018120 -0.003788 -0.001808 0.035607 0.001245 29O 1pz 0.008174 0.001727 0.000743 -0.000485 0.020579 -0.010592 29O 1px -0.003952 -0.008331 0.000591 -0.005176 -0.070757 -0.007690 29O 1py 0.002661 0.014648 -0.003624 -0.007271 -0.053039 -0.005637 29O 2pz 0.006591 0.001237 0.000912 -0.000346 0.017008 -0.007363 29O 2px -0.002951 -0.006261 0.000178 -0.004810 -0.058690 -0.006034 29O 2py 0.002060 0.012270 -0.003446 -0.006741 -0.045597 -0.004735 29O 3pz 0.002257 0.003189 -0.004046 0.003700 0.017990 -0.009716 29O 3px -0.006123 -0.007996 -0.001019 -0.001849 -0.058396 -0.005783 29O 3py 0.000843 0.004993 0.002036 -0.000800 -0.036425 -0.004609 29O 1dz2 -0.000193 0.000098 -0.000043 0.000015 -0.000035 0.000263 29O 1dxz 0.000260 -0.000062 0.000029 -0.000021 0.000293 -0.000316 29O 1dyz -0.000187 -0.000053 -0.000053 0.000079 0.000010 0.000218 29O 1dx2y2 0.000056 -0.000020 -0.000019 -0.000096 -0.000868 -0.000188 29O 1dxy 0.000049 0.000335 -0.000052 0.000026 0.000225 0.000073 29O 2dz2 -0.000609 0.000350 -0.000057 -0.000136 -0.000836 0.000753 29O 2dxz 0.000796 -0.000223 -0.000049 -0.000055 0.000693 -0.000874 29O 2dyz -0.000531 -0.000389 0.000390 -0.000168 -0.000326 0.000792 29O 2dx2y2 0.000319 0.000275 -0.000055 -0.000348 -0.002512 -0.000593 29O 2dxy 0.000364 0.001392 -0.000045 -0.000139 0.001786 0.000275 29O 1f0 0.000080 0.000030 0.000017 0.000039 0.000322 -0.000080 29O 1f+1 0.000111 -0.000049 0.000005 -0.000060 -0.000400 -0.000179 29O 1f-1 0.000065 0.000092 -0.000006 -0.000008 -0.000412 -0.000106 29O 1f+2 -0.000103 -0.000020 -0.000016 0.000002 -0.000125 0.000060 29O 1f-2 -0.000064 0.000092 0.000012 -0.000037 -0.000389 0.000074 29O 1f+3 0.000017 -0.000157 0.000013 0.000021 0.000320 -0.000002 29O 1f-3 -0.000002 -0.000019 -0.000027 -0.000050 -0.000411 -0.000060 30O 1s -0.001592 0.000353 0.003344 0.000574 -0.005326 0.000190 30O 2s -0.003893 0.001067 0.008080 0.001369 -0.012838 0.000500 30O 3s 0.006928 -0.004530 -0.013638 -0.002113 0.020482 -0.001195 30O 4s 0.008103 0.002561 -0.012891 -0.002868 0.029799 0.002227 30O 5s -0.005666 0.038446 -0.020373 -0.001462 0.017316 -0.031521 30O 1pz -0.053205 0.067489 -0.023081 0.176360 -0.032783 -0.091791 30O 1px -0.044859 -0.019529 0.081755 0.040749 -0.150311 -0.105436 30O 1py 0.040371 -0.100942 -0.057090 0.119791 0.087985 0.009566 30O 2pz -0.043936 0.054758 -0.020148 0.149064 -0.029910 -0.077419 30O 2px -0.038499 -0.012833 0.068927 0.034340 -0.126275 -0.090640 30O 2py 0.034669 -0.081937 -0.047171 0.101732 0.076193 0.008780 30O 3pz -0.034100 0.028802 -0.019672 0.104661 -0.017606 -0.058869 30O 3px -0.036314 0.019266 0.058766 0.027074 -0.092327 -0.070132 30O 3py 0.021596 -0.057546 -0.029900 0.074051 0.053993 0.011682 30O 1dz2 0.000684 0.000285 -0.000123 -0.001621 0.000579 0.001067 30O 1dxz -0.000531 0.001619 -0.000526 0.001433 0.000470 -0.000204 30O 1dyz -0.000493 0.001029 -0.000001 0.000137 -0.000044 -0.000621 30O 1dx2y2 -0.000116 -0.000161 0.000723 -0.000282 -0.001317 -0.000932 30O 1dxy 0.000400 -0.002130 -0.000231 0.001419 0.000094 -0.000403 30O 2dz2 0.002994 -0.000958 -0.000477 -0.002305 0.001958 0.003047 30O 2dxz -0.002203 0.003038 -0.001852 0.005029 -0.000628 -0.002247 30O 2dyz 0.000395 -0.001565 0.000434 -0.000151 0.001939 0.001326 30O 2dx2y2 0.000348 -0.000411 0.001973 0.000873 -0.002285 -0.001424 30O 2dxy 0.001858 -0.005405 -0.000284 0.003978 0.003160 0.000879 30O 1f0 0.000072 -0.000503 0.000061 0.000505 0.000155 -0.000083 30O 1f+1 0.000605 -0.000190 0.000205 -0.000999 -0.000004 0.000524 30O 1f-1 0.000398 -0.000117 0.000249 -0.001624 0.000197 0.000795 30O 1f+2 0.000169 -0.000285 -0.000262 0.000331 0.000718 0.000334 30O 1f-2 -0.000115 0.000359 -0.000290 0.000062 0.000412 0.000205 30O 1f+3 -0.000324 -0.000295 0.000048 0.000607 -0.000169 -0.000467 30O 1f-3 0.000165 0.000470 -0.000363 -0.000110 0.000503 0.000376 31O 1s 0.001589 -0.000420 0.003008 0.000861 0.005452 0.000203 31O 2s 0.003887 -0.001230 0.007265 0.002064 0.013144 0.000532 31O 3s -0.006921 0.004806 -0.012282 -0.003232 -0.021008 -0.001250 31O 4s -0.008076 -0.002318 -0.011123 -0.004440 -0.030236 0.002154 31O 5s 0.005685 -0.037866 -0.019946 -0.002426 -0.018001 -0.031439 31O 1pz -0.053707 0.066300 0.026594 -0.178091 -0.021511 0.092280 31O 1px -0.045022 -0.017933 -0.072916 -0.049018 -0.152258 0.105456 31O 1py 0.040174 -0.102658 0.050216 -0.114319 0.097831 -0.009060 31O 2pz -0.044351 0.053740 0.023198 -0.150669 -0.020319 0.077834 31O 2px -0.038641 -0.011495 -0.061437 -0.041276 -0.127938 0.090644 31O 2py 0.034507 -0.083381 0.041328 -0.096997 0.084466 -0.008365 31O 3pz -0.034433 0.028031 0.021399 -0.105444 -0.010708 0.059200 31O 3px -0.036426 0.020352 -0.052690 -0.032248 -0.093934 0.070114 31O 3py 0.021473 -0.058554 0.025757 -0.070801 0.059902 -0.011387 31O 1dz2 -0.000689 -0.000288 -0.000091 -0.001649 -0.000492 0.001072 31O 1dxz 0.000535 -0.001601 -0.000530 0.001410 -0.000579 -0.000208 31O 1dyz 0.000495 -0.001027 -0.000021 0.000142 0.000039 -0.000621 31O 1dx2y2 0.000116 0.000144 0.000647 -0.000208 0.001372 -0.000929 31O 1dxy -0.000397 0.002139 -0.000190 0.001403 -0.000189 -0.000410 31O 2dz2 -0.003007 0.000962 -0.000331 -0.002412 -0.001855 0.003059 31O 2dxz 0.002219 -0.002981 -0.001952 0.005061 0.000236 -0.002262 31O 2dyz -0.000396 0.001553 0.000588 -0.000270 -0.001896 0.001321 31O 2dx2y2 -0.000351 0.000376 0.001834 0.001010 0.002334 -0.001421 31O 2dxy -0.001850 0.005435 -0.000010 0.003768 -0.003404 0.000867 31O 1f0 0.000072 -0.000506 -0.000078 -0.000493 0.000181 0.000084 31O 1f+1 0.000608 -0.000181 -0.000209 0.000996 -0.000071 -0.000526 31O 1f-1 0.000403 -0.000106 -0.000267 0.001633 0.000091 -0.000801 31O 1f+2 0.000169 -0.000294 0.000214 -0.000290 0.000750 -0.000331 31O 1f-2 -0.000116 0.000353 0.000270 -0.000040 0.000430 -0.000205 31O 1f+3 -0.000326 -0.000296 -0.000041 -0.000613 -0.000138 0.000469 31O 1f-3 0.000167 0.000462 0.000340 0.000136 0.000515 -0.000377 32O 1s 0.000735 0.001846 0.000230 0.000209 0.001221 0.000122 32O 2s 0.001797 0.004487 0.000546 0.000505 0.003109 0.000288 32O 3s -0.003163 -0.007596 -0.000696 -0.000779 -0.007158 -0.000358 32O 4s -0.002617 -0.007913 -0.001649 -0.000909 0.003742 -0.001242 32O 5s -0.008675 -0.018122 -0.002452 -0.003470 -0.035741 0.001331 32O 1pz 0.008194 0.001567 -0.001997 0.001565 0.021423 0.010617 32O 1px -0.004236 -0.008498 0.003206 0.001119 -0.071036 0.007295 32O 1py 0.002129 0.014744 0.006957 0.004125 -0.053340 0.005023 32O 2pz 0.006617 0.001104 -0.001954 0.001238 0.017741 0.007391 32O 2px -0.003190 -0.006403 0.002997 0.001427 -0.058916 0.005688 32O 2py 0.001599 0.012352 0.006306 0.004033 -0.045867 0.004199 32O 3pz 0.002239 0.003011 0.002925 -0.002791 0.018957 0.009692 32O 3px -0.006309 -0.008140 0.004115 -0.001462 -0.058438 0.005506 32O 3py 0.000443 0.005116 0.000086 -0.001288 -0.036625 0.004215 32O 1dz2 0.000186 -0.000095 -0.000041 0.000014 0.000026 0.000255 32O 1dxz -0.000265 0.000062 0.000048 -0.000041 -0.000280 -0.000325 32O 1dyz 0.000190 0.000054 -0.000052 0.000079 0.000004 0.000220 32O 1dx2y2 -0.000054 0.000022 -0.000067 -0.000047 0.000881 -0.000186 32O 1dxy -0.000051 -0.000334 -0.000046 0.000015 -0.000223 0.000070 32O 2dz2 0.000593 -0.000348 -0.000134 -0.000075 0.000812 0.000734 32O 2dxz -0.000812 0.000235 -0.000020 -0.000085 -0.000648 -0.000905 32O 2dyz 0.000531 0.000375 0.000365 -0.000172 0.000425 0.000794 32O 2dx2y2 -0.000298 -0.000272 -0.000209 -0.000197 0.002558 -0.000580 32O 2dxy -0.000362 -0.001404 0.000021 -0.000242 -0.001780 0.000265 32O 1f0 0.000079 0.000027 -0.000037 -0.000019 0.000340 0.000079 32O 1f+1 0.000110 -0.000051 0.000017 0.000037 -0.000393 0.000177 32O 1f-1 0.000060 0.000096 0.000031 -0.000018 -0.000407 0.000103 32O 1f+2 -0.000105 -0.000026 0.000023 -0.000009 -0.000116 -0.000062 32O 1f-2 -0.000068 0.000092 0.000014 0.000016 -0.000410 -0.000075 32O 1f+3 0.000021 -0.000155 -0.000035 -0.000003 0.000320 0.000006 32O 1f-3 -0.000000 -0.000021 0.000047 0.000026 -0.000403 0.000059 33O 1s 0.003007 0.002008 0.000588 -0.003138 0.003353 0.000282 33O 2s 0.007422 0.004865 0.001427 -0.007566 0.007946 0.000757 33O 3s -0.014190 -0.008102 -0.002454 0.012538 -0.010897 -0.002014 33O 4s -0.013118 -0.011033 -0.002684 0.012794 -0.022615 0.004276 33O 5s 0.023735 0.000465 -0.000014 0.021260 -0.028899 -0.052357 33O 1pz -0.138021 -0.037737 0.103781 0.046541 0.000033 0.101996 33O 1px -0.044662 -0.036879 0.058228 0.087443 -0.114218 0.139323 33O 1py -0.087640 -0.066741 -0.184794 0.009978 -0.042642 0.055784 33O 2pz -0.114081 -0.032399 0.088158 0.038306 -0.003468 0.086236 33O 2px -0.040521 -0.031645 0.049518 0.073560 -0.093156 0.119537 33O 2py -0.074405 -0.055634 -0.156476 0.007617 -0.037287 0.048215 33O 3pz -0.077827 -0.019863 0.064790 0.023587 -0.005413 0.070874 33O 3px -0.055714 -0.027247 0.031809 0.060897 -0.055075 0.093920 33O 3py -0.057394 -0.046331 -0.110074 0.006795 -0.021756 0.042815 33O 1dz2 -0.000904 0.000027 0.001126 0.000634 -0.000469 0.001577 33O 1dxz 0.002149 0.000437 -0.000496 0.000038 -0.001347 -0.000166 33O 1dyz 0.000032 -0.000355 -0.001190 -0.000226 0.000085 0.000401 33O 1dx2y2 -0.000490 0.000202 -0.000588 -0.000662 0.001264 -0.001213 33O 1dxy 0.001043 0.000820 0.001875 -0.000062 0.000171 -0.000614 33O 2dz2 -0.000789 0.001251 0.001282 0.001592 -0.001110 0.001378 33O 2dxz 0.005028 0.001538 -0.003100 0.000037 -0.000917 -0.002077 33O 2dyz 0.004696 0.000500 -0.002225 0.000267 0.000369 -0.003482 33O 2dx2y2 -0.000322 0.000274 -0.003186 -0.002163 0.001615 -0.002420 33O 2dxy 0.003827 0.003145 0.004993 0.000219 0.000679 -0.002719 33O 1f0 -0.000171 0.000076 0.001343 0.000470 -0.000305 0.000685 33O 1f+1 0.000528 -0.000333 -0.000939 0.000000 -0.000305 -0.000143 33O 1f-1 -0.000673 -0.000469 -0.000196 0.000117 -0.000298 0.000750 33O 1f+2 0.000095 0.000156 0.000485 -0.000306 0.000662 -0.000607 33O 1f-2 -0.000279 0.000291 0.001237 0.000297 -0.000196 0.000470 33O 1f+3 -0.000136 0.000061 0.000188 -0.000082 0.000128 -0.000032 33O 1f-3 0.000159 0.000359 0.000731 0.000299 -0.000353 0.000262 34O 1s -0.000034 -0.003990 -0.003178 -0.000715 -0.003522 -0.000018 34O 2s -0.000006 -0.009765 -0.007681 -0.001712 -0.008364 -0.000086 34O 3s -0.000986 0.017489 0.013009 0.002642 0.011795 0.000504 34O 4s 0.001208 0.020693 0.011777 0.003743 0.022715 -0.003144 34O 5s 0.023279 -0.026832 0.023659 0.004857 0.030957 0.036795 34O 1pz -0.033632 0.093205 0.015412 0.179479 0.063014 -0.135171 34O 1px -0.040306 0.019476 -0.053141 0.025185 -0.096039 0.025043 34O 1py 0.010973 -0.161065 -0.079792 0.110768 -0.057299 0.035877 34O 2pz -0.027489 0.079793 0.012399 0.151509 0.053390 -0.114558 34O 2px -0.031203 0.013446 -0.045407 0.021419 -0.076937 0.022665 34O 2py 0.009066 -0.135674 -0.066466 0.093991 -0.050582 0.031118 34O 3pz -0.028086 0.061324 0.010328 0.109157 0.035083 -0.087413 34O 3px -0.009642 -0.015097 -0.041481 0.016233 -0.043606 0.019625 34O 3py 0.005509 -0.102663 -0.046637 0.066961 -0.031021 0.027517 34O 1dz2 0.000434 -0.001010 0.000228 -0.000388 0.000872 0.000118 34O 1dxz -0.000495 0.000517 0.000029 0.002024 0.000735 -0.001546 34O 1dyz -0.000006 0.000840 0.000320 -0.000240 0.000101 0.000070 34O 1dx2y2 -0.001204 0.001280 -0.000517 0.000528 -0.001518 0.000146 34O 1dxy 0.000195 -0.001701 -0.000630 0.001302 0.000051 0.000459 34O 2dz2 -0.000143 -0.000194 0.001007 -0.003302 0.001083 0.000064 34O 2dxz -0.001822 0.000581 0.000382 0.004765 0.001919 -0.003357 34O 2dyz -0.000894 0.006658 -0.000049 -0.000296 0.000837 -0.002660 34O 2dx2y2 -0.002418 0.004216 -0.001472 -0.000037 -0.001127 -0.000699 34O 2dxy -0.000818 -0.002375 -0.002026 0.003560 -0.000605 -0.000391 34O 1f0 0.000477 -0.000438 0.000126 -0.000932 -0.000258 0.000739 34O 1f+1 0.000203 -0.000119 0.000260 0.000347 0.000492 -0.000336 34O 1f-1 -0.000011 -0.000101 0.000094 -0.000702 -0.000060 0.000311 34O 1f+2 -0.000255 -0.000577 -0.000201 0.000955 -0.000038 -0.000221 34O 1f-2 0.000155 -0.000265 -0.000047 -0.000946 -0.000501 0.000759 34O 1f+3 0.000429 0.000391 0.000587 -0.000921 0.000638 -0.000061 34O 1f-3 0.000130 0.000401 -0.000054 -0.000593 -0.000444 0.000324 35O 1s 0.001360 -0.000600 -0.000434 0.003051 -0.005363 -0.000224 35O 2s 0.003472 -0.001371 -0.001034 0.007378 -0.012931 -0.000590 35O 3s -0.007979 0.001198 0.001528 -0.012569 0.020650 0.001316 35O 4s -0.005231 0.004852 0.002691 -0.011085 0.030779 -0.003284 35O 5s 0.039743 0.021073 0.002389 -0.020664 0.012803 0.051183 35O 1pz -0.101495 0.015023 -0.098656 -0.083610 0.139466 -0.166906 35O 1px -0.055643 -0.029509 -0.071566 0.045042 -0.090462 0.067521 35O 1py -0.070417 -0.040025 0.172679 0.013685 0.069131 -0.017480 35O 2pz -0.085386 0.012481 -0.083624 -0.069594 0.119542 -0.142833 35O 2px -0.042512 -0.023102 -0.060240 0.038525 -0.074697 0.059235 35O 2py -0.058410 -0.031851 0.146026 0.012087 0.059978 -0.015683 35O 3pz -0.070967 0.010080 -0.059616 -0.050781 0.082531 -0.111111 35O 3px -0.004688 -0.003207 -0.043722 0.037090 -0.057901 0.046642 35O 3py -0.034734 -0.024394 0.105402 0.013484 0.041350 -0.014154 35O 1dz2 0.001441 0.000759 0.000157 -0.000094 0.000021 -0.000288 35O 1dxz -0.001163 0.000241 -0.001132 -0.000715 0.000999 -0.001839 35O 1dyz 0.000012 0.000017 -0.000415 -0.000125 0.000112 -0.000754 35O 1dx2y2 -0.001332 -0.000170 -0.001526 0.000286 -0.001122 0.000690 35O 1dxy -0.001635 -0.000947 0.001666 0.000339 0.000232 -0.000096 35O 2dz2 0.004441 0.001563 0.002204 -0.000440 -0.002158 0.002307 35O 2dxz -0.002693 0.001215 -0.002049 -0.001879 0.002747 -0.004134 35O 2dyz 0.004147 0.000768 -0.002166 -0.001087 -0.003031 0.003199 35O 2dx2y2 -0.002417 0.000887 -0.002305 0.001199 -0.001676 0.000992 35O 2dxy -0.001803 -0.001767 0.004787 0.001030 0.001034 0.000859 35O 1f0 0.000280 -0.000198 0.000046 -0.000073 0.000071 0.000031 35O 1f+1 0.000336 0.000332 -0.000470 -0.000498 0.000539 -0.000701 35O 1f-1 -0.000404 0.000226 -0.000675 -0.000265 0.000540 -0.000858 35O 1f+2 -0.000202 0.000099 -0.001041 -0.000059 -0.000343 0.000055 35O 1f-2 -0.000338 0.000036 -0.000257 -0.000101 0.000383 -0.000478 35O 1f+3 0.000106 -0.000515 0.001353 0.000146 0.000471 0.000058 35O 1f-3 0.000531 0.000440 -0.000151 -0.000364 0.000200 -0.000317 108 109 110 111 112 113 -0.28621 -0.28160 -0.25106 -0.24918 -0.24116 -0.24034 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s 0.000330 0.000018 -0.000039 -0.000213 -0.005164 -0.000068 0Rh 2s -0.001277 -0.000082 0.000159 0.000813 0.019203 0.000234 0Rh 3s 0.001118 0.000053 -0.000127 -0.000731 -0.018018 -0.000250 0Rh 4s 0.005460 0.000358 -0.000677 -0.003471 -0.081985 -0.000989 0Rh 5s -0.004366 -0.000396 0.000502 0.002619 0.060044 0.000584 0Rh 6s -0.008196 -0.000125 0.001243 0.005910 0.144581 0.002238 0Rh 7s 0.002205 -0.001857 -0.002719 -0.009027 -0.158778 -0.005804 0Rh 8s 0.014177 0.007967 0.006171 -0.003070 -0.032552 0.005514 0Rh 1pz 0.000110 0.000106 0.006500 0.000485 0.005595 0.000033 0Rh 1px -0.001107 0.000050 0.002178 -0.000446 -0.017431 -0.000179 0Rh 1py 0.007914 -0.000224 -0.000402 0.006395 -0.002570 0.000012 0Rh 2pz -0.000375 -0.000360 -0.022123 -0.001653 -0.018957 -0.000115 0Rh 2px 0.003748 -0.000173 -0.007412 0.001520 0.059062 0.000603 0Rh 2py -0.026821 0.000756 0.001369 -0.021768 0.008694 -0.000038 0Rh 3pz 0.000345 0.000296 0.018932 0.001433 0.014880 0.000137 0Rh 3px -0.002948 0.000184 0.006395 -0.001285 -0.046278 -0.000397 0Rh 3py 0.021440 -0.000552 -0.001191 0.018723 -0.006562 -0.000011 0Rh 4pz 0.000363 0.000464 0.027294 0.002010 0.026537 0.000046 0Rh 4px -0.005403 0.000076 0.008860 -0.001992 -0.083109 -0.001095 0Rh 4py 0.036786 -0.001233 -0.001616 0.026574 -0.013026 0.000235 0Rh 5pz 0.000134 -0.000008 -0.001772 -0.000074 -0.000911 -0.000035 0Rh 5px 0.001834 0.000258 0.000008 0.000171 0.004012 0.000463 0Rh 5py -0.006399 0.000506 -0.000049 -0.001758 0.002017 -0.000348 0Rh 6pz -0.002170 -0.000181 0.007585 -0.001507 -0.035734 0.000863 0Rh 6px -0.014227 -0.002930 -0.001960 0.006018 0.102018 -0.000833 0Rh 6py 0.044994 -0.002283 0.001387 0.017375 -0.011326 0.000724 0Rh 1dz2 0.002183 -0.000243 -0.070771 -0.008475 -0.051916 0.115327 0Rh 1dxz 0.000670 0.000421 0.113416 0.019338 -0.066266 0.052954 0Rh 1dyz 0.014228 -0.000209 0.026270 -0.040115 -0.013990 -0.060594 0Rh 1dx2y2 0.010851 0.000243 0.043858 -0.041197 0.097599 0.083327 0Rh 1dxy -0.043667 0.000945 0.000501 0.129445 0.046238 0.009522 0Rh 2dz2 -0.000073 0.000009 0.002133 0.000287 0.001554 -0.003533 0Rh 2dxz -0.000029 -0.000011 -0.003513 -0.000593 0.001997 -0.001676 0Rh 2dyz -0.000465 0.000006 -0.000834 0.001271 0.000446 0.001863 0Rh 2dx2y2 -0.000346 -0.000015 -0.001360 0.001259 -0.002866 -0.002529 0Rh 2dxy 0.001396 -0.000044 -0.000026 -0.004067 -0.001494 -0.000291 0Rh 3dz2 -0.003162 0.000347 0.104442 0.012434 0.076349 -0.170722 0Rh 3dxz -0.000916 -0.000630 -0.167436 -0.028608 0.097585 -0.078374 0Rh 3dyz -0.020715 0.000305 -0.038644 0.059151 0.020507 0.089659 0Rh 3dx2y2 -0.015837 -0.000320 -0.064569 0.060778 -0.143601 -0.123383 0Rh 3dxy 0.063695 -0.001326 -0.000708 -0.191002 -0.067823 -0.014152 0Rh 4dz2 -0.004276 0.000514 0.137991 0.016635 0.100822 -0.225457 0Rh 4dxz -0.001378 -0.000782 -0.220919 -0.037675 0.128355 -0.103458 0Rh 4dyz -0.028105 0.000420 -0.051528 0.078265 0.027346 0.118516 0Rh 4dx2y2 -0.021487 -0.000592 -0.085746 0.080472 -0.189186 -0.162678 0Rh 4dxy 0.086011 -0.002010 -0.001058 -0.252462 -0.090430 -0.018465 0Rh 5dz2 -0.002799 -0.000056 0.096697 0.011138 0.071703 -0.156431 0Rh 5dxz -0.000595 -0.000841 -0.155759 -0.026280 0.092114 -0.071871 0Rh 5dyz -0.018552 0.000078 -0.035405 0.054539 0.018743 0.081537 0Rh 5dx2y2 -0.014487 0.000347 -0.059390 0.056180 -0.135951 -0.113541 0Rh 5dxy 0.058346 -0.000742 -0.000400 -0.176719 -0.061147 -0.013289 0Rh 1f0 -0.004372 0.000092 -0.000034 -0.002439 0.003641 -0.000062 0Rh 1f+1 -0.000710 0.000010 -0.003030 -0.000437 -0.002871 0.000195 0Rh 1f-1 -0.005073 0.000143 -0.003165 -0.003506 -0.000465 0.000035 0Rh 1f+2 -0.002207 0.000147 0.005006 0.000233 -0.005103 0.000021 0Rh 1f-2 -0.005001 0.000154 0.001284 -0.003825 -0.001598 -0.000139 0Rh 1f+3 0.002740 -0.000015 -0.002508 0.003109 -0.005737 -0.000242 0Rh 1f-3 -0.001477 0.000002 0.000144 -0.003664 -0.002807 -0.000051 1Rh 1s 0.000334 -0.000020 0.000007 0.000185 -0.005182 -0.000068 1Rh 2s -0.001292 0.000091 -0.000037 -0.000707 0.019271 0.000235 1Rh 3s 0.001132 -0.000060 0.000015 0.000632 -0.018076 -0.000251 1Rh 4s 0.005524 -0.000395 0.000157 0.003021 -0.082282 -0.000994 1Rh 5s -0.004414 0.000428 -0.000109 -0.002289 0.060298 0.000588 1Rh 6s -0.008312 0.000174 -0.000370 -0.005118 0.145040 0.002248 1Rh 7s 0.002459 0.001881 0.001956 0.008115 -0.159894 -0.005835 1Rh 8s 0.013840 -0.008114 -0.006624 0.002897 -0.032186 0.005421 1Rh 1pz -0.000105 0.000081 0.006493 0.000471 -0.005612 -0.000032 1Rh 1px 0.001105 0.000030 0.002270 -0.000358 0.017429 0.000182 1Rh 1py -0.007925 -0.000176 -0.000376 0.006425 0.002547 -0.000026 1Rh 2pz 0.000358 -0.000274 -0.022099 -0.001606 0.019014 0.000110 1Rh 2px -0.003743 -0.000106 -0.007723 0.001221 -0.059056 -0.000614 1Rh 2py 0.026857 0.000592 0.001282 -0.021871 -0.008614 0.000086 1Rh 3pz -0.000330 0.000223 0.018915 0.001398 -0.014921 -0.000134 1Rh 3px 0.002950 0.000129 0.006644 -0.001052 0.046268 0.000406 1Rh 3py -0.021467 -0.000417 -0.001122 0.018806 0.006486 -0.000029 1Rh 4pz -0.000345 0.000357 0.027261 0.001938 -0.026644 -0.000033 1Rh 4px 0.005377 -0.000014 0.009278 -0.001570 0.083145 0.001109 1Rh 4py -0.036843 -0.001016 -0.001492 0.026716 0.012956 -0.000294 1Rh 5pz -0.000120 0.000007 -0.001791 -0.000065 0.000999 0.000013 1Rh 5px -0.001802 0.000279 0.000021 0.000149 -0.004088 -0.000466 1Rh 5py 0.006411 0.000463 -0.000057 -0.001776 -0.002054 0.000345 1Rh 6pz 0.001943 -0.000416 0.007749 -0.001606 0.035080 -0.000524 1Rh 6px 0.014071 -0.003155 -0.002642 0.005461 -0.102753 0.000843 1Rh 6py -0.044778 -0.001568 0.001216 0.017389 0.011325 -0.000560 1Rh 1dz2 0.002140 0.000317 0.070547 0.008449 -0.052611 0.115740 1Rh 1dxz 0.000601 -0.000520 -0.113961 -0.019776 -0.065986 0.053084 1Rh 1dyz 0.014179 0.000038 -0.026288 0.040021 -0.014119 -0.060792 1Rh 1dx2y2 0.010895 -0.000381 -0.043355 0.041798 0.098195 0.083547 1Rh 1dxy -0.043901 -0.000544 -0.000429 -0.129323 0.047171 0.009684 1Rh 2dz2 -0.000071 -0.000011 -0.002126 -0.000286 0.001574 -0.003544 1Rh 2dxz -0.000027 0.000014 0.003530 0.000605 0.001986 -0.001678 1Rh 2dyz -0.000463 -0.000001 0.000835 -0.001268 0.000450 0.001868 1Rh 2dx2y2 -0.000347 0.000020 0.001345 -0.001277 -0.002882 -0.002535 1Rh 2dxy 0.001403 0.000031 0.000024 0.004062 -0.001523 -0.000296 1Rh 3dz2 -0.003102 -0.000455 -0.104115 -0.012396 0.077385 -0.171340 1Rh 3dxz -0.000815 0.000774 0.168238 0.029254 0.097185 -0.078573 1Rh 3dyz -0.020647 -0.000057 0.038671 -0.059013 0.020700 0.089954 1Rh 3dx2y2 -0.015903 0.000521 0.063832 -0.061664 -0.144504 -0.123717 1Rh 3dxy 0.064038 0.000743 0.000605 0.190825 -0.069208 -0.014392 1Rh 4dz2 -0.004187 -0.000662 -0.137564 -0.016587 0.102200 -0.226277 1Rh 4dxz -0.001246 0.000978 0.221996 0.038523 0.127839 -0.103706 1Rh 4dyz -0.028006 -0.000082 0.051565 -0.078088 0.027600 0.118911 1Rh 4dx2y2 -0.021569 0.000865 0.084772 -0.081648 -0.190396 -0.163111 1Rh 4dxy 0.086478 0.001217 0.000920 0.252241 -0.092259 -0.018782 1Rh 5dz2 -0.002749 -0.000035 -0.096387 -0.011098 0.072584 -0.156913 1Rh 5dxz -0.000489 0.000971 0.156461 0.026881 0.091641 -0.072039 1Rh 5dyz -0.018498 0.000143 0.035414 -0.054404 0.018909 0.081740 1Rh 5dx2y2 -0.014572 -0.000165 0.058696 -0.056982 -0.136633 -0.113796 1Rh 5dxy 0.058637 0.000222 0.000302 0.176527 -0.062396 -0.013503 1Rh 1f0 0.004368 0.000027 -0.000046 -0.002456 -0.003623 0.000068 1Rh 1f+1 0.000720 0.000002 -0.003017 -0.000416 0.002890 -0.000193 1Rh 1f-1 0.005075 0.000121 -0.003168 -0.003515 0.000492 -0.000030 1Rh 1f+2 0.002206 0.000090 0.005040 0.000257 0.005070 -0.000016 1Rh 1f-2 0.005009 0.000107 0.001296 -0.003830 0.001608 0.000146 1Rh 1f+3 -0.002730 0.000022 -0.002490 0.003142 0.005726 0.000235 1Rh 1f-3 0.001469 -0.000005 0.000165 -0.003651 0.002823 0.000055 2C 1s -0.000190 0.000067 -0.004573 -0.003528 0.002260 0.000012 2C 2s -0.000416 0.000151 -0.010086 -0.007792 0.005071 0.000008 2C 3s 0.000177 -0.000382 0.019256 0.014713 -0.010392 0.000041 2C 4s 0.003651 0.000203 0.013486 0.011163 -0.001823 -0.000810 2C 5s 0.001791 -0.006676 -0.072816 -0.056216 0.018583 0.020133 2C 1pz -0.010065 -0.004122 0.034512 0.027116 -0.022600 0.011235 2C 1px 0.027700 -0.000566 0.010746 0.008208 -0.005216 0.007384 2C 1py 0.008452 0.005055 0.022444 0.015878 -0.014326 -0.020188 2C 2pz -0.006306 -0.002729 0.022415 0.018335 -0.016167 0.010551 2C 2px 0.023225 -0.000566 0.007096 0.005736 -0.003684 0.006718 2C 2py 0.006869 0.003571 0.013944 0.010644 -0.009255 -0.018266 2C 3pz -0.012693 -0.013991 -0.019151 -0.016630 -0.002180 0.002790 2C 3px 0.018327 0.004072 0.011533 0.008750 0.000447 -0.000001 2C 3py 0.013156 0.016307 -0.016357 -0.010754 -0.001928 0.004577 2C 1dz2 0.000773 0.000152 0.001041 0.000742 -0.000508 -0.001640 2C 1dxz -0.001836 -0.000069 0.000756 0.000486 -0.000279 -0.001983 2C 1dyz 0.000731 -0.000242 0.001209 0.000932 -0.000714 0.000955 2C 1dx2y2 0.000910 -0.000180 -0.000788 -0.000706 0.000366 -0.001500 2C 1dxy -0.000948 0.000298 0.000049 0.000168 -0.000111 0.001511 2C 2dz2 0.001388 0.000684 -0.000826 -0.001056 0.000079 -0.003622 2C 2dxz -0.002135 -0.000205 -0.000104 0.000100 0.000644 -0.001780 2C 2dyz 0.000780 -0.000492 -0.002213 -0.000892 0.000216 0.001992 2C 2dx2y2 0.000434 -0.000325 -0.000493 -0.000654 0.000211 -0.002616 2C 2dxy -0.000800 0.000805 -0.000706 -0.000680 0.000396 0.000188 2C 1f0 0.000561 0.000291 0.000013 0.000014 -0.000073 -0.000599 2C 1f+1 -0.000422 -0.000215 0.000158 0.000152 -0.000228 -0.000127 2C 1f-1 0.000210 -0.000122 -0.000100 -0.000042 -0.000105 -0.000037 2C 1f+2 -0.000216 -0.000092 -0.000028 -0.000061 0.000151 -0.000431 2C 1f-2 -0.000502 0.000190 -0.000193 -0.000086 0.000103 -0.000153 2C 1f+3 -0.000035 0.000265 0.000051 0.000058 -0.000040 -0.000068 2C 1f-3 0.000285 0.000042 0.000212 0.000139 -0.000208 0.000179 3C 1s 0.000067 -0.000159 -0.003628 0.004522 0.002248 0.000047 3C 2s 0.000148 -0.000348 -0.008006 0.009964 0.005045 0.000127 3C 3s -0.000286 0.000537 0.015170 -0.018466 -0.010451 -0.000307 3C 4s 0.000039 0.000961 0.010868 -0.016204 -0.000750 0.000921 3C 5s -0.007868 -0.000484 -0.057856 0.074093 0.011859 -0.024519 3C 1pz 0.015395 0.003795 0.012054 -0.016301 -0.012207 0.019937 3C 1px -0.041802 0.004461 0.012001 -0.015647 -0.009471 0.004072 3C 1py -0.008359 0.001279 -0.029320 0.034997 0.022299 0.013163 3C 2pz 0.012601 0.002605 0.007962 -0.011078 -0.007225 0.018095 3C 2px -0.034963 0.002728 0.007859 -0.011004 -0.007307 0.003819 3C 2py -0.008354 0.000612 -0.018822 0.024073 0.014679 0.011555 3C 3pz 0.009307 0.006322 -0.018406 0.024967 -0.002350 -0.005085 3C 3px -0.018510 0.018710 0.001347 -0.002090 -0.002354 -0.001733 3C 3py 0.001266 0.010289 0.011622 -0.013885 0.003334 0.004202 3C 1dz2 -0.000826 -0.000205 -0.000020 -0.000003 0.000079 -0.000636 3C 1dxz 0.003121 0.000425 0.000605 -0.000644 -0.000254 -0.001312 3C 1dyz 0.001890 -0.000003 -0.000836 0.000928 0.000553 0.001970 3C 1dx2y2 0.000731 -0.000076 -0.000869 0.001269 0.000576 -0.002273 3C 1dxy -0.001574 0.000188 -0.000616 0.000835 0.000439 -0.000877 3C 2dz2 -0.001490 -0.000800 0.001458 -0.000692 -0.000318 -0.003574 3C 2dxz 0.003520 0.000632 -0.000126 0.000209 -0.000035 -0.001791 3C 2dyz 0.001441 0.000077 0.001154 -0.001105 -0.000514 0.001982 3C 2dx2y2 0.001277 -0.000141 0.000313 0.000017 -0.000613 -0.002831 3C 2dxy -0.002150 0.000851 0.000705 -0.000738 -0.000177 -0.000267 3C 1f0 -0.000007 -0.000222 0.000058 -0.000038 -0.000024 -0.000219 3C 1f+1 -0.000250 0.000223 0.000111 -0.000167 -0.000123 -0.000214 3C 1f-1 0.000405 0.000176 -0.000090 0.000133 0.000062 0.000622 3C 1f+2 0.000553 0.000077 0.000103 -0.000123 -0.000072 0.000026 3C 1f-2 -0.000667 -0.000150 0.000001 0.000008 0.000113 0.000271 3C 1f+3 0.000574 -0.000290 0.000028 -0.000087 -0.000233 0.000024 3C 1f-3 0.000845 -0.000144 -0.000196 0.000270 0.000181 -0.000247 4C 1s 0.000006 -0.000025 -0.008137 -0.006202 -0.003021 0.000016 4C 2s 0.000013 -0.000074 -0.017989 -0.013715 -0.006912 0.000036 4C 3s 0.000257 0.000313 0.030292 0.023732 0.023542 -0.000042 4C 4s -0.001224 -0.000407 0.061719 0.043771 -0.034446 0.000386 4C 5s -0.009425 -0.000041 0.073891 0.050046 -0.009231 -0.013859 4C 1pz -0.001399 0.001394 -0.001236 -0.003511 0.021369 -0.038710 4C 1px 0.002778 0.000460 0.000280 -0.002265 0.006836 -0.024281 4C 1py -0.000979 -0.000990 -0.004413 0.001405 0.014186 0.065411 4C 2pz 0.003919 0.001317 -0.004149 -0.007660 0.004257 -0.036941 4C 2px -0.009831 0.000410 0.001723 -0.003183 0.007724 -0.023156 4C 2py -0.001943 -0.000060 -0.008831 0.002086 0.004470 0.061233 4C 3pz 0.007578 -0.000864 -0.065080 -0.056952 0.034630 -0.007898 4C 3px -0.025968 -0.002857 -0.018829 -0.017906 0.003798 -0.008375 4C 3py -0.010396 -0.009721 -0.044261 -0.036759 0.021632 0.030155 4C 1dz2 -0.000958 0.003665 0.004840 0.003738 -0.002122 -0.001643 4C 1dxz 0.002595 -0.005040 0.004015 0.002753 -0.001650 -0.000741 4C 1dyz -0.002153 -0.004535 0.004456 0.003503 -0.002047 0.000934 4C 1dx2y2 -0.002335 -0.005366 -0.005699 -0.004574 0.002480 -0.001057 4C 1dxy 0.008160 0.009330 -0.001137 -0.000892 0.000787 -0.000052 4C 2dz2 0.000256 0.006428 0.010526 0.005966 -0.005176 0.001148 4C 2dxz -0.000108 -0.009375 0.008738 0.005817 0.001278 0.000203 4C 2dyz -0.004421 -0.008425 0.008704 0.006644 -0.006369 -0.001323 4C 2dx2y2 -0.004376 -0.010653 -0.010751 -0.010049 0.001070 0.001553 4C 2dxy 0.010645 0.017223 -0.002123 -0.001671 -0.000249 0.000660 4C 1f0 -0.001373 0.001733 -0.000341 -0.000432 0.000011 0.000301 4C 1f+1 0.001459 -0.001747 -0.000818 -0.000797 0.000140 0.000621 4C 1f-1 -0.001113 -0.001154 -0.000610 -0.000451 -0.000247 -0.000013 4C 1f+2 0.001026 -0.000926 0.001037 0.000528 -0.000132 0.000001 4C 1f-2 0.003133 0.001246 -0.000179 -0.000167 0.000094 -0.000603 4C 1f+3 0.003217 0.002204 0.000008 -0.000071 -0.000132 0.000574 4C 1f-3 0.000792 0.000611 -0.000918 -0.000491 -0.000075 -0.000807 5C 1s 0.000066 -0.000096 -0.006428 0.007868 -0.003074 -0.000075 5C 2s 0.000139 -0.000214 -0.014207 0.017422 -0.007042 -0.000154 5C 3s -0.000322 0.000232 0.024224 -0.030806 0.024353 0.000443 5C 4s -0.000050 0.001330 0.047018 -0.052161 -0.037091 -0.001386 5C 5s -0.000150 0.005950 0.049977 -0.072182 -0.006786 0.009933 5C 1pz 0.000588 -0.000945 0.002085 0.003833 0.014474 -0.065084 5C 1px -0.004137 -0.000511 -0.000371 0.000935 0.005392 -0.013295 5C 1py -0.000011 0.000944 0.004488 -0.001455 -0.021705 -0.043961 5C 2pz -0.004972 -0.000693 0.002593 0.008533 0.006217 -0.061182 5C 2px 0.016451 0.000611 -0.001715 0.002402 -0.003632 -0.012200 5C 2py 0.002538 0.000758 0.008475 -0.003190 -0.006889 -0.041726 5C 3pz -0.016855 -0.000347 -0.028269 0.035231 0.015468 -0.031713 5C 3px 0.029809 -0.007544 -0.025507 0.032215 0.017491 -0.009000 5C 3py 0.012736 -0.004998 0.059800 -0.068202 -0.028046 -0.005772 5C 1dz2 0.001140 -0.005729 0.001412 -0.001479 -0.000589 -0.001611 5C 1dxz -0.001248 0.009588 0.003424 -0.004385 -0.001916 -0.000623 5C 1dyz -0.003624 -0.000409 -0.002421 0.002794 0.001035 0.000953 5C 1dx2y2 -0.004523 0.000232 -0.005392 0.006796 0.002826 -0.001154 5C 1dxy 0.009558 0.007280 -0.003079 0.003959 0.002111 0.000056 5C 2dz2 -0.000479 -0.010833 0.004176 -0.002516 0.002787 0.001965 5C 2dxz 0.001887 0.017653 0.007459 -0.008245 -0.002973 0.001310 5C 2dyz -0.002413 -0.001257 -0.005133 0.004115 0.005575 -0.000541 5C 2dx2y2 -0.003260 0.000951 -0.010977 0.014256 0.001501 0.000217 5C 2dxy 0.009962 0.013648 -0.005742 0.007525 0.005491 -0.000012 5C 1f0 0.001071 -0.001818 0.000003 0.000136 0.000071 0.000274 5C 1f+1 -0.000400 0.001760 -0.000298 0.000602 0.000184 0.000910 5C 1f-1 -0.001403 0.001140 -0.000033 -0.000341 -0.000124 0.000083 5C 1f+2 -0.003928 0.000842 0.000414 -0.000547 0.000011 -0.000646 5C 1f-2 0.001140 -0.001285 0.000612 -0.000715 0.000217 -0.000065 5C 1f+3 -0.004704 -0.002223 -0.000639 0.000639 0.000044 -0.000168 5C 1f-3 -0.004020 -0.000423 0.000862 -0.000836 -0.000277 0.000708 6C 1s 0.000065 0.000097 0.006414 -0.007886 -0.003061 -0.000066 6C 2s 0.000138 0.000216 0.014177 -0.017462 -0.007013 -0.000133 6C 3s -0.000324 -0.000233 -0.024113 0.030922 0.024303 0.000394 6C 4s 0.000001 -0.001362 -0.047229 0.052075 -0.037181 -0.001365 6C 5s 0.000241 -0.005967 -0.049951 0.072175 -0.007072 0.009650 6C 1pz -0.000635 -0.000932 0.001994 0.003829 -0.014436 0.065068 6C 1px 0.004171 -0.000507 -0.000445 0.000949 -0.005497 0.013330 6C 1py 0.000062 0.000937 0.004586 -0.001270 0.021683 0.043994 6C 2pz 0.004947 -0.000723 0.002596 0.008555 -0.006243 0.061184 6C 2px -0.016457 0.000820 -0.001769 0.002531 0.003647 0.012155 6C 2py -0.002488 0.000794 0.008488 -0.003060 0.006864 0.041767 6C 3pz 0.016838 -0.000692 -0.028509 0.035093 -0.015826 0.031621 6C 3px -0.029906 -0.007156 -0.025857 0.032296 -0.017795 0.008805 6C 3py -0.012707 -0.004873 0.059930 -0.067959 0.028621 0.005983 6C 1dz2 0.001196 0.005711 -0.001410 0.001470 -0.000575 -0.001602 6C 1dxz -0.001347 -0.009542 -0.003439 0.004369 -0.001939 -0.000653 6C 1dyz -0.003619 0.000446 0.002424 -0.002783 0.001025 0.000958 6C 1dx2y2 -0.004520 -0.000189 0.005408 -0.006781 0.002816 -0.001139 6C 1dxy 0.009491 -0.007359 0.003094 -0.003955 0.002141 0.000048 6C 2dz2 -0.000399 0.010819 -0.004159 0.002524 0.002812 0.001956 6C 2dxz 0.001711 -0.017614 -0.007476 0.008213 -0.003040 0.001237 6C 2dyz -0.002396 0.001287 0.005146 -0.004097 0.005542 -0.000523 6C 2dx2y2 -0.003229 -0.000922 0.010982 -0.014242 0.001515 0.000270 6C 2dxy 0.009835 -0.013713 0.005762 -0.007496 0.005600 -0.000043 6C 1f0 -0.001085 -0.001802 0.000001 0.000138 -0.000073 -0.000278 6C 1f+1 0.000417 0.001751 -0.000295 0.000599 -0.000185 -0.000908 6C 1f-1 0.001414 0.001120 -0.000031 -0.000341 0.000134 -0.000082 6C 1f+2 0.003939 0.000793 0.000417 -0.000552 0.000006 0.000649 6C 1f-2 -0.001153 -0.001267 0.000609 -0.000717 -0.000226 0.000064 6C 1f+3 0.004689 -0.002270 -0.000633 0.000634 -0.000030 0.000167 6C 1f-3 0.004010 -0.000464 0.000869 -0.000845 0.000290 -0.000709 7C 1s 0.000017 0.000025 0.008128 0.006194 -0.003086 0.000010 7C 2s 0.000037 0.000074 0.017969 0.013697 -0.007057 0.000020 7C 3s 0.000213 -0.000312 -0.030197 -0.023652 0.023783 0.000021 7C 4s -0.001290 0.000382 -0.061969 -0.043904 -0.033902 0.000166 7C 5s -0.009680 0.000077 -0.073767 -0.050337 -0.008616 -0.012961 7C 1pz 0.001498 0.001438 -0.001406 -0.003616 -0.021325 0.038956 7C 1px -0.002894 0.000501 0.000353 -0.002155 -0.006874 0.024288 7C 1py 0.000968 -0.001033 -0.004476 0.001247 -0.014309 -0.065310 7C 2pz -0.003846 0.001373 -0.004201 -0.007719 -0.004189 0.037139 7C 2px 0.009816 0.000389 0.001759 -0.003114 -0.007765 0.023210 7C 2py 0.001963 -0.000087 -0.008823 0.001953 -0.004521 -0.061135 7C 3pz -0.007808 -0.000802 -0.065033 -0.056996 -0.034377 0.008750 7C 3px 0.025689 -0.002417 -0.019024 -0.018119 -0.003822 0.008554 7C 3py 0.010230 -0.009865 -0.044776 -0.037253 -0.021602 -0.029558 7C 1dz2 -0.001004 -0.003699 -0.004835 -0.003734 -0.002066 -0.001629 7C 1dxz 0.002665 0.005081 -0.004040 -0.002777 -0.001646 -0.000746 7C 1dyz -0.002109 0.004578 -0.004478 -0.003517 -0.002016 0.000919 7C 1dx2y2 -0.002278 0.005407 0.005723 0.004591 0.002442 -0.001089 7C 1dxy 0.008092 -0.009436 0.001133 0.000884 0.000752 -0.000035 7C 2dz2 0.000198 -0.006497 -0.010497 -0.005967 -0.005083 0.001212 7C 2dxz -0.000011 0.009509 -0.008758 -0.005862 0.001268 0.000202 7C 2dyz -0.004343 0.008518 -0.008763 -0.006710 -0.006319 -0.001348 7C 2dx2y2 -0.004269 0.010734 0.010779 0.010107 0.001015 0.001439 7C 2dxy 0.010516 -0.017401 0.002106 0.001647 -0.000291 0.000674 7C 1f0 0.001392 0.001743 -0.000349 -0.000440 -0.000019 -0.000306 7C 1f+1 -0.001482 -0.001765 -0.000807 -0.000790 -0.000115 -0.000623 7C 1f-1 0.001104 -0.001161 -0.000612 -0.000455 0.000247 0.000014 7C 1f+2 -0.001039 -0.000925 0.001043 0.000533 0.000130 0.000005 7C 1f-2 -0.003129 0.001257 -0.000168 -0.000156 -0.000075 0.000602 7C 1f+3 -0.003211 0.002237 0.000015 -0.000065 0.000144 -0.000579 7C 1f-3 -0.000793 0.000627 -0.000920 -0.000491 0.000086 0.000803 8C 1s 0.000073 0.000157 0.003639 -0.004508 0.002254 0.000055 8C 2s 0.000162 0.000343 0.008032 -0.009935 0.005058 0.000145 8C 3s -0.000310 -0.000526 -0.015220 0.018410 -0.010476 -0.000336 8C 4s 0.000026 -0.000973 -0.010902 0.016181 -0.000777 0.000865 8C 5s -0.008072 0.000717 0.058051 -0.073985 0.012786 -0.024072 8C 1pz -0.015396 0.004053 0.012147 -0.016280 0.012182 -0.019899 8C 1px 0.041869 0.003945 0.012160 -0.015715 0.009650 -0.004032 8C 1py 0.008319 0.001248 -0.029393 0.034797 -0.022308 -0.013243 8C 2pz -0.012596 0.002802 0.008028 -0.011069 0.007184 -0.018072 8C 2px 0.034980 0.002310 0.007980 -0.011041 0.007457 -0.003802 8C 2py 0.008326 0.000565 -0.018896 0.023922 -0.014642 -0.011618 8C 3pz -0.009346 0.006782 -0.018286 0.024923 0.002167 0.005018 8C 3px 0.018779 0.018193 0.001668 -0.002404 0.002313 0.001832 8C 3py -0.001263 0.010449 0.011841 -0.014066 -0.003110 -0.004090 8C 1dz2 -0.000789 0.000212 0.000021 0.000004 0.000076 -0.000636 8C 1dxz 0.003104 -0.000455 -0.000605 0.000637 -0.000243 -0.001350 8C 1dyz 0.001912 -0.000019 0.000841 -0.000925 0.000563 0.001958 8C 1dx2y2 0.000710 0.000068 0.000876 -0.001269 0.000580 -0.002256 8C 1dxy -0.001595 -0.000169 0.000616 -0.000832 0.000433 -0.000891 8C 2dz2 -0.001454 0.000819 -0.001457 0.000677 -0.000324 -0.003577 8C 2dxz 0.003500 -0.000667 0.000132 -0.000215 -0.000016 -0.001801 8C 2dyz 0.001456 -0.000101 -0.001147 0.001114 -0.000515 0.001981 8C 2dx2y2 0.001255 0.000129 -0.000312 -0.000025 -0.000610 -0.002836 8C 2dxy -0.002179 -0.000817 -0.000701 0.000749 -0.000205 -0.000269 8C 1f0 0.000008 -0.000222 0.000057 -0.000039 0.000023 0.000219 8C 1f+1 0.000252 0.000218 0.000113 -0.000168 0.000127 0.000210 8C 1f-1 -0.000404 0.000182 -0.000089 0.000131 -0.000064 -0.000624 8C 1f+2 -0.000553 0.000084 0.000102 -0.000121 0.000069 -0.000027 8C 1f-2 0.000664 -0.000156 0.000003 0.000003 -0.000109 -0.000271 8C 1f+3 -0.000574 -0.000283 0.000030 -0.000086 0.000230 -0.000024 8C 1f-3 -0.000848 -0.000134 -0.000199 0.000269 -0.000184 0.000248 9C 1s -0.000194 -0.000067 0.004589 0.003542 0.002228 0.000005 9C 2s -0.000425 -0.000151 0.010123 0.007824 0.005000 -0.000005 9C 3s 0.000188 0.000381 -0.019320 -0.014775 -0.010260 0.000057 9C 4s 0.003667 -0.000197 -0.013560 -0.011187 -0.001723 -0.000669 9C 5s 0.002294 0.006531 0.072828 0.056663 0.018435 0.018386 9C 1pz 0.010069 -0.004256 0.034483 0.027092 0.022261 -0.011375 9C 1px -0.027749 -0.000633 0.010825 0.008272 0.005253 -0.007404 9C 1py -0.008455 0.005197 0.022839 0.016231 0.014331 0.020096 9C 2pz 0.006306 -0.002805 0.022410 0.018280 0.015913 -0.010689 9C 2px -0.023312 -0.000584 0.007181 0.005801 0.003750 -0.006747 9C 2py -0.006839 0.003663 0.014229 0.010880 0.009288 0.018215 9C 3pz 0.012490 -0.014176 -0.019435 -0.016930 0.002248 -0.002356 9C 3px -0.017776 0.003205 0.011790 0.008951 -0.000501 0.000035 9C 3py -0.013203 0.016694 -0.015939 -0.010500 0.001946 -0.004460 9C 1dz2 0.000776 -0.000158 -0.001040 -0.000745 -0.000503 -0.001629 9C 1dxz -0.001870 0.000079 -0.000751 -0.000487 -0.000261 -0.001970 9C 1dyz 0.000736 0.000238 -0.001222 -0.000939 -0.000713 0.000905 9C 1dx2y2 0.000917 0.000170 0.000793 0.000712 0.000358 -0.001574 9C 1dxy -0.000911 -0.000292 -0.000046 -0.000162 -0.000102 0.001502 9C 2dz2 0.001379 -0.000705 0.000809 0.001052 0.000042 -0.003633 9C 2dxz -0.002184 0.000229 0.000110 -0.000089 0.000664 -0.001781 9C 2dyz 0.000785 0.000487 0.002226 0.000914 0.000213 0.001968 9C 2dx2y2 0.000434 0.000314 0.000475 0.000618 0.000186 -0.002640 9C 2dxy -0.000776 -0.000807 0.000712 0.000682 0.000411 0.000180 9C 1f0 -0.000553 0.000297 0.000017 0.000017 0.000077 0.000604 9C 1f+1 0.000416 -0.000218 0.000158 0.000153 0.000223 0.000127 9C 1f-1 -0.000215 -0.000121 -0.000096 -0.000041 0.000110 0.000039 9C 1f+2 0.000215 -0.000093 -0.000025 -0.000058 -0.000148 0.000428 9C 1f-2 0.000510 0.000187 -0.000191 -0.000087 -0.000104 0.000156 9C 1f+3 0.000047 0.000267 0.000047 0.000056 0.000036 0.000067 9C 1f-3 -0.000287 0.000045 0.000219 0.000145 0.000212 -0.000176 10H 1s 0.016441 -0.000214 -0.004387 -0.003377 0.003023 0.003022 10H 2s 0.025738 -0.000795 -0.005420 -0.004705 0.004599 0.004605 10H 3s 0.003893 -0.006338 -0.025000 -0.019626 0.004415 0.002723 10H 1pz 0.000214 -0.000438 0.000852 0.000623 -0.000749 0.000360 10H 1px -0.001452 -0.000177 0.000006 0.000050 -0.000554 -0.000043 10H 1py 0.000319 0.000414 0.000362 0.000223 -0.000504 -0.000664 11H 1s -0.005307 0.001904 -0.004326 -0.004156 0.003036 -0.016532 11H 2s -0.008808 0.002085 -0.003577 -0.005022 0.003643 -0.029394 11H 3s -0.010579 -0.009187 -0.002778 -0.005677 0.007621 -0.028553 11H 1pz -0.000697 -0.000257 0.000958 0.000559 -0.000706 -0.000203 11H 1px 0.000556 0.000471 0.000339 0.000190 -0.000151 -0.000833 11H 1py 0.000571 -0.000150 0.001041 0.000775 -0.000621 0.000503 12H 1s -0.012006 -0.001434 -0.004799 -0.002607 0.002654 0.013625 12H 2s -0.019411 -0.000842 -0.005626 -0.002036 0.003721 0.022312 12H 3s 0.003655 0.017253 -0.010822 -0.006294 0.005334 0.019890 12H 1pz 0.000699 0.000431 0.001108 0.000888 -0.000903 -0.000390 12H 1px -0.000039 -0.000271 0.000525 0.000485 -0.000175 0.000715 12H 1py -0.001142 -0.000057 0.000296 0.000331 -0.000243 0.000187 13H 1s -0.025703 -0.000221 -0.002935 0.003744 0.002670 -0.004730 13H 2s -0.040655 -0.001261 -0.003814 0.004815 0.004152 -0.007234 13H 3s -0.017727 -0.010768 -0.018308 0.023374 0.005370 -0.005891 13H 1pz -0.001356 0.000337 0.000217 -0.000301 -0.000197 0.000442 13H 1px 0.001700 0.000068 0.000068 -0.000049 -0.000564 0.000454 13H 1py 0.000191 0.000405 -0.000737 0.000841 0.000763 0.000351 14H 1s 0.018869 -0.001497 -0.002927 0.004837 0.003203 -0.012256 14H 2s 0.030449 -0.000967 -0.002546 0.005319 0.005116 -0.019739 14H 3s 0.016846 0.017061 -0.009732 0.013826 0.005802 -0.017012 14H 1pz 0.001239 0.000019 0.000101 -0.000063 -0.000233 0.000318 14H 1px 0.000822 -0.000246 0.000528 -0.000573 -0.000083 -0.000691 14H 1py 0.000610 -0.000498 -0.000900 0.001053 0.000986 -0.000172 15H 1s 0.006900 0.000926 -0.004799 0.004594 0.002743 0.017146 15H 2s 0.012359 0.001100 -0.006146 0.003871 0.003640 0.031036 15H 3s -0.000190 -0.007294 -0.003446 0.000725 0.007375 0.029445 15H 1pz -0.000451 -0.000248 0.000795 -0.000885 -0.000561 -0.000920 15H 1px -0.001034 0.000465 0.000456 -0.000670 -0.000342 0.000318 15H 1py -0.000899 0.000080 -0.000533 0.000925 0.000658 -0.000513 16H 1s 0.004248 -0.000096 -0.008053 -0.006788 -0.008087 -0.000281 16H 2s 0.004418 -0.000185 -0.013504 -0.012595 -0.017873 -0.003504 16H 3s -0.002230 -0.000412 -0.006125 -0.003483 -0.022226 -0.001395 16H 1pz 0.000781 -0.000112 0.000141 -0.001277 0.000799 -0.000261 16H 1px -0.000228 -0.000021 -0.001155 -0.000106 -0.005888 0.000146 16H 1py -0.001038 0.000056 -0.000599 0.001919 -0.002715 -0.000264 17H 1s 0.005459 0.000017 0.007709 -0.007339 -0.008475 -0.000439 17H 2s 0.005476 0.000170 0.012897 -0.013417 -0.018127 -0.005171 17H 3s -0.004499 -0.000776 0.004548 -0.004023 -0.022242 -0.003258 17H 1pz -0.000722 -0.000083 -0.000389 0.001316 0.002830 0.000092 17H 1px -0.000595 -0.000014 0.001158 0.000752 -0.005194 0.000495 17H 1py -0.000821 0.000051 0.000788 0.001756 -0.002941 -0.000302 18H 1s 0.005392 -0.000082 -0.007932 0.007124 -0.008475 -0.000433 18H 2s 0.005419 -0.000228 -0.013158 0.013051 -0.018173 -0.005378 18H 3s -0.004264 0.000837 -0.004677 0.003804 -0.022247 -0.003492 18H 1pz 0.000696 -0.000091 -0.000441 0.001267 -0.002899 -0.000105 18H 1px 0.000599 -0.000021 0.001187 0.000787 0.005197 -0.000536 18H 1py 0.000857 0.000047 0.000759 0.001821 0.002920 0.000299 19H 1s 0.004380 0.000066 0.007856 0.006963 -0.008207 -0.000297 19H 2s 0.004611 0.000166 0.013234 0.012816 -0.018128 -0.003253 19H 3s -0.002407 0.000424 0.006021 0.003492 -0.022503 -0.001130 19H 1pz -0.000828 -0.000102 0.000164 -0.001312 -0.000825 0.000223 19H 1px 0.000208 -0.000024 -0.001108 -0.000120 0.005908 -0.000116 19H 1py 0.001020 0.000048 -0.000639 0.001888 0.002761 0.000263 20H 1s 0.007112 -0.001028 0.004810 -0.004558 0.002779 0.017125 20H 2s 0.012723 -0.001266 0.006150 -0.003821 0.003685 0.030968 20H 3s -0.000054 0.007470 0.003579 -0.000728 0.007323 0.029383 20H 1pz 0.000475 -0.000256 0.000796 -0.000880 0.000565 0.000918 20H 1px 0.001024 0.000451 0.000461 -0.000672 0.000347 -0.000328 20H 1py 0.000912 0.000072 -0.000536 0.000918 -0.000657 0.000503 21H 1s 0.018741 0.001304 0.002971 -0.004860 0.003277 -0.012342 21H 2s 0.030267 0.000650 0.002597 -0.005361 0.005226 -0.019911 21H 3s 0.016611 -0.017192 0.009568 -0.013654 0.005860 -0.017265 21H 1pz -0.001251 0.000037 0.000104 -0.000062 0.000228 -0.000309 21H 1px -0.000801 -0.000240 0.000528 -0.000570 0.000084 0.000695 21H 1py -0.000613 -0.000487 -0.000910 0.001051 -0.000990 0.000174 22H 1s -0.025752 0.000506 0.002933 -0.003705 0.002581 -0.004593 22H 2s -0.040715 0.001680 0.003816 -0.004766 0.003999 -0.007015 22H 3s -0.017545 0.010684 0.018442 -0.023461 0.005263 -0.005616 22H 1pz 0.001345 0.000329 0.000222 -0.000304 0.000202 -0.000446 22H 1px -0.001718 0.000090 0.000071 -0.000046 0.000560 -0.000445 22H 1py -0.000202 0.000405 -0.000736 0.000831 -0.000758 -0.000354 23H 1s -0.011875 0.001537 0.004871 0.002685 0.002695 0.013780 23H 2s -0.019279 0.001019 0.005729 0.002128 0.003790 0.022639 23H 3s 0.003491 -0.017246 0.010624 0.006103 0.005369 0.020412 23H 1pz -0.000691 0.000436 0.001121 0.000901 0.000895 0.000396 23H 1px 0.000010 -0.000283 0.000526 0.000483 0.000176 -0.000706 23H 1py 0.001143 -0.000065 0.000298 0.000337 0.000242 -0.000208 24H 1s -0.005567 -0.001933 0.004348 0.004146 0.003033 -0.016454 24H 2s -0.009211 -0.002116 0.003607 0.004965 0.003654 -0.029175 24H 3s -0.010949 0.009766 0.003019 0.005762 0.007553 -0.028351 24H 1pz 0.000705 -0.000263 0.000950 0.000558 0.000695 0.000185 24H 1px -0.000525 0.000480 0.000345 0.000198 0.000148 0.000838 24H 1py -0.000581 -0.000158 0.001053 0.000782 0.000624 -0.000482 25H 1s 0.016551 0.000136 0.004362 0.003372 0.002906 0.002770 25H 2s 0.025905 0.000638 0.005417 0.004721 0.004429 0.004225 25H 3s 0.004304 0.005881 0.025169 0.019754 0.004107 0.002421 25H 1pz -0.000233 -0.000438 0.000846 0.000616 0.000737 -0.000360 25H 1px 0.001454 -0.000185 0.000005 0.000049 0.000549 0.000023 25H 1py -0.000296 0.000427 0.000375 0.000235 0.000512 0.000661 26O 1s 0.000136 0.000085 0.003450 0.002416 0.001174 -0.000044 26O 2s 0.000294 0.000191 0.008373 0.005847 0.002827 -0.000109 26O 3s -0.000161 -0.000101 -0.013212 -0.008929 -0.004628 0.000202 26O 4s -0.004164 -0.001539 -0.022766 -0.018196 -0.005270 0.000001 26O 5s 0.034212 0.003903 0.005783 0.016268 -0.006407 0.000071 26O 1pz 0.052450 -0.087442 0.089596 0.066873 -0.016656 -0.015225 26O 1px -0.077716 -0.051510 -0.017381 -0.011116 -0.025050 -0.010426 26O 1py 0.102349 0.138756 0.048261 0.036546 -0.017185 0.025315 26O 2pz 0.045781 -0.074191 0.075851 0.055717 -0.014495 -0.013998 26O 2px -0.066579 -0.043609 -0.013516 -0.009364 -0.021094 -0.009444 26O 2py 0.086396 0.117146 0.040618 0.031935 -0.015063 0.023367 26O 3pz 0.037664 -0.053058 0.069728 0.059025 -0.019089 -0.002240 26O 3px -0.052862 -0.032752 -0.007875 -0.004647 -0.024443 -0.001820 26O 3py 0.065286 0.086876 0.044722 0.025538 -0.016099 0.004366 26O 1dz2 -0.000116 0.000023 -0.000504 -0.000420 -0.000399 0.000706 26O 1dxz -0.000543 0.001046 -0.000604 -0.000293 0.000614 0.001027 26O 1dyz -0.000351 0.000268 -0.000529 -0.000343 0.000194 -0.000131 26O 1dx2y2 0.001240 0.001270 0.000673 0.000645 0.000276 0.001384 26O 1dxy -0.000848 -0.001353 0.000272 -0.000042 0.000710 -0.000926 26O 2dz2 0.000949 -0.001117 -0.000495 -0.000455 -0.001761 0.004066 26O 2dxz -0.001374 0.002185 0.000037 0.000887 0.001928 0.003970 26O 2dyz 0.002756 0.001592 0.000709 0.001070 0.000790 -0.001306 26O 2dx2y2 0.002321 0.002307 0.000496 0.001340 0.001205 0.005587 26O 2dxy -0.001732 -0.003789 0.002029 0.000521 0.002501 -0.002708 26O 1f0 0.000077 0.000072 -0.000539 -0.000591 0.000079 0.000960 26O 1f+1 0.000148 -0.000396 0.000666 0.000679 0.000574 0.000259 26O 1f-1 0.000130 -0.000565 0.000053 0.000137 0.000425 -0.000146 26O 1f+2 -0.000566 -0.000830 0.000206 0.000190 -0.000388 0.000149 26O 1f-2 0.000175 -0.000230 0.001149 0.000749 0.000193 -0.000014 26O 1f+3 0.000773 0.001140 0.000726 0.000421 0.000202 0.000757 26O 1f-3 0.000064 -0.000202 -0.000033 -0.000087 0.000504 -0.000543 27O 1s 0.000067 0.000118 0.002710 -0.003281 0.000568 -0.000026 27O 2s 0.000227 0.000290 0.006585 -0.007964 0.001361 -0.000065 27O 3s -0.000927 -0.000455 -0.010522 0.012576 -0.002407 0.000110 27O 4s 0.004344 -0.000909 -0.017606 0.022168 -0.002112 0.000246 27O 5s -0.048517 0.000125 0.010722 -0.013721 0.017182 0.002637 27O 1pz -0.062175 0.142784 0.046281 -0.063044 -0.010539 -0.024176 27O 1px 0.072164 0.029264 -0.003268 0.004815 -0.019621 -0.003941 27O 1py 0.155923 0.094721 -0.069638 0.086201 0.024668 -0.016245 27O 2pz -0.054310 0.120712 0.039950 -0.052716 -0.009536 -0.022354 27O 2px 0.062840 0.025017 -0.002348 0.003784 -0.020213 -0.003948 27O 2py 0.132931 0.080172 -0.058324 0.073379 0.022524 -0.014735 27O 3pz -0.043640 0.088713 0.031158 -0.052928 -0.002667 -0.003423 27O 3px 0.047029 0.019265 -0.000033 -0.003646 -0.023758 -0.001486 27O 3py 0.104481 0.057956 -0.059431 0.067464 0.017341 -0.002628 27O 1dz2 0.000006 0.000241 -0.000070 0.000217 -0.000358 0.000488 27O 1dxz 0.000766 -0.001685 -0.000612 0.000504 0.000307 0.001503 27O 1dyz 0.000199 0.000298 0.000196 -0.000233 0.000117 -0.000613 27O 1dx2y2 -0.000984 -0.000622 0.000640 -0.000870 0.000321 0.000819 27O 1dxy -0.001679 -0.001057 0.000296 -0.000594 -0.000705 0.000839 27O 2dz2 0.001622 0.002205 -0.000834 0.001502 -0.001758 0.003243 27O 2dxz 0.001007 -0.004059 -0.000822 -0.000503 0.000373 0.005516 27O 2dyz 0.004800 0.000303 -0.000503 0.000856 0.000054 -0.002807 27O 2dx2y2 0.000300 -0.000797 0.001008 -0.001699 0.002576 0.003907 27O 2dxy -0.002510 -0.003156 -0.001423 0.000666 -0.002638 0.002590 27O 1f0 0.000244 -0.000809 -0.000268 0.000527 -0.000204 0.000635 27O 1f+1 -0.000290 0.000190 -0.000072 -0.000138 0.000381 0.000398 27O 1f-1 -0.000038 -0.000558 0.000156 -0.000377 -0.000075 -0.000646 27O 1f+2 0.000570 0.000807 0.000352 -0.000519 -0.000125 -0.000520 27O 1f-2 0.000390 -0.000756 -0.000468 0.000702 -0.000430 0.000046 27O 1f+3 -0.001067 -0.000805 0.000867 -0.000845 0.000662 0.000211 27O 1f-3 -0.000051 -0.000483 0.000665 -0.000776 -0.000381 0.000748 28O 1s 0.000046 -0.000038 0.003367 0.002534 0.000581 0.000003 28O 2s 0.000162 -0.000100 0.008197 0.006155 0.001397 -0.000001 28O 3s -0.000793 0.000236 -0.013322 -0.009828 -0.002515 0.000119 28O 4s 0.003467 0.000256 -0.020338 -0.016226 -0.001820 -0.000583 28O 5s -0.031378 -0.000136 0.002059 0.007410 0.015977 -0.000518 28O 1pz -0.006218 0.087467 0.068248 0.055977 -0.027244 -0.017604 28O 1px -0.054503 0.056375 0.050597 0.042922 0.007780 -0.010656 28O 1py -0.127612 -0.143207 0.063952 0.046782 -0.016194 0.026310 28O 2pz -0.005604 0.074181 0.058904 0.046976 -0.025892 -0.016062 28O 2px -0.047239 0.047893 0.042378 0.035772 0.008746 -0.010035 28O 2py -0.108211 -0.121331 0.053903 0.040552 -0.014638 0.024052 28O 3pz -0.008225 0.052706 0.054995 0.051786 -0.023619 -0.003873 28O 3px -0.038474 0.034591 0.033024 0.031960 0.015232 -0.002251 28O 3py -0.082058 -0.087874 0.052860 0.032801 -0.012750 0.005585 28O 1dz2 0.000294 -0.001105 -0.000643 -0.000417 0.000363 0.001447 28O 1dxz 0.000130 0.000328 -0.000448 -0.000476 -0.000655 -0.000023 28O 1dyz 0.000869 0.001044 -0.000438 -0.000437 0.000254 -0.001045 28O 1dx2y2 -0.000582 0.000430 0.000814 0.000544 -0.000000 0.000137 28O 1dxy -0.001223 -0.001459 0.000145 0.000302 -0.000419 0.001072 28O 2dz2 -0.000517 -0.001918 0.000103 0.000704 0.001386 0.006131 28O 2dxz 0.000024 0.002085 -0.001529 -0.001732 -0.003300 0.000653 28O 2dyz -0.000824 0.002015 0.001240 0.000249 0.001048 -0.004186 28O 2dx2y2 -0.000303 0.002364 0.001434 0.000801 0.001220 0.001735 28O 2dxy -0.004064 -0.004074 -0.000571 0.000651 -0.001439 0.003495 28O 1f0 0.000285 0.001083 0.000663 0.000683 0.000331 0.000311 28O 1f+1 -0.000494 -0.000783 -0.000595 -0.000627 0.000374 0.000861 28O 1f-1 -0.000618 -0.000165 0.000731 0.000464 0.000399 0.000261 28O 1f+2 0.000605 0.000326 -0.000499 -0.000504 -0.000665 0.000431 28O 1f-2 0.000400 0.001032 -0.000772 -0.000526 0.000127 -0.000481 28O 1f+3 0.000146 0.000114 -0.000635 -0.000281 -0.000164 -0.000043 28O 1f-3 0.000261 0.000653 -0.000079 -0.000016 0.000294 -0.000761 29O 1s 0.001827 0.000010 0.000020 -0.002207 -0.008038 -0.000242 29O 2s 0.004373 0.000023 0.000046 -0.005329 -0.019533 -0.000601 29O 3s -0.006485 -0.000018 -0.000052 0.008499 0.032609 0.001051 29O 4s -0.012664 -0.000209 -0.000321 0.012010 0.039435 0.000281 29O 5s -0.001901 0.000604 0.001331 0.017629 0.061764 0.009224 29O 1pz 0.001813 0.000069 0.015061 -0.002961 0.047106 0.000508 29O 1px -0.009553 0.000625 0.007838 0.019410 -0.141757 -0.000906 29O 1py -0.037478 0.000549 0.000834 0.051048 -0.051811 0.000733 29O 2pz 0.001567 -0.000046 0.013588 -0.002664 0.039572 0.000342 29O 2px -0.008682 0.000440 0.006879 0.016309 -0.119431 -0.000514 29O 2py -0.030965 0.000542 0.000628 0.042828 -0.044672 0.000203 29O 3pz 0.001845 0.000084 -0.004330 -0.004888 0.034828 0.000728 29O 3px -0.005479 0.000460 0.000613 0.020499 -0.107911 0.001086 29O 3py -0.027245 0.000146 0.001286 0.025322 -0.046778 -0.002902 29O 1dz2 -0.000097 -0.000006 -0.000520 0.000008 0.000347 -0.000013 29O 1dxz 0.000068 0.000001 0.000567 -0.000145 0.001044 -0.000027 29O 1dyz 0.000135 -0.000009 -0.000480 -0.000223 -0.000156 0.000004 29O 1dx2y2 -0.000249 0.000012 0.000245 0.000475 -0.001972 0.000010 29O 1dxy -0.000355 0.000003 -0.000228 0.000581 0.000685 0.000058 29O 2dz2 -0.000526 0.000019 -0.002464 0.000468 0.000108 -0.000467 29O 2dxz 0.000324 0.000001 0.003290 -0.000010 0.002701 -0.000049 29O 2dyz 0.000437 0.000044 -0.000746 -0.001320 -0.001343 0.000217 29O 2dx2y2 -0.001322 0.000004 0.001363 0.001184 -0.004676 -0.000681 29O 2dxy -0.001265 -0.000007 -0.000629 0.003296 0.004633 -0.000161 29O 1f0 0.000030 0.000005 0.000162 -0.000057 0.000683 -0.000108 29O 1f+1 -0.000092 0.000007 0.000403 0.000193 -0.000725 0.000088 29O 1f-1 -0.000273 -0.000000 0.000187 0.000431 -0.000577 -0.000005 29O 1f+2 0.000033 -0.000001 -0.000245 -0.000076 -0.000357 0.000039 29O 1f-2 -0.000208 0.000008 -0.000278 0.000393 -0.000682 -0.000082 29O 1f+3 0.000310 -0.000007 0.000164 -0.000492 0.000245 -0.000071 29O 1f-3 -0.000045 -0.000002 0.000121 0.000316 -0.000940 -0.000018 30O 1s -0.000091 -0.000051 0.002693 -0.003055 0.001234 0.000038 30O 2s -0.000266 -0.000095 0.006540 -0.007431 0.002978 0.000085 30O 3s 0.000793 -0.000191 -0.010383 0.011931 -0.004974 -0.000072 30O 4s -0.003793 0.001773 -0.017330 0.019632 -0.005473 -0.000476 30O 5s 0.050422 -0.005714 0.004322 -0.008719 -0.003333 0.003461 30O 1pz -0.006182 -0.143494 0.029800 -0.038297 -0.020034 -0.028594 30O 1px 0.139112 -0.026101 0.050672 -0.059702 0.014401 -0.005159 30O 1py -0.119623 -0.101758 -0.057468 0.069576 0.023855 -0.020002 30O 2pz -0.004644 -0.121309 0.026533 -0.031925 -0.017034 -0.026196 30O 2px 0.120071 -0.022162 0.042468 -0.050240 0.012204 -0.004598 30O 2py -0.101509 -0.086331 -0.048347 0.059287 0.020634 -0.017941 30O 3pz -0.000564 -0.088134 0.019781 -0.036603 -0.022823 -0.007232 30O 3px 0.096355 -0.016734 0.035742 -0.046000 0.012194 0.000018 30O 3py -0.081852 -0.062242 -0.050791 0.056704 0.025158 -0.004658 30O 1dz2 -0.000257 0.001446 -0.000290 0.000109 0.000069 0.001698 30O 1dxz -0.000718 -0.001112 -0.000331 0.000631 -0.000483 -0.000519 30O 1dyz 0.000742 -0.000196 0.000224 -0.000293 -0.000593 -0.000545 30O 1dx2y2 0.001860 0.000375 0.000681 -0.000816 -0.000257 0.000686 30O 1dxy -0.000415 -0.001165 0.000466 -0.000348 0.000711 -0.000718 30O 2dz2 -0.002163 0.002534 -0.001050 0.000073 0.000036 0.007008 30O 2dxz -0.000462 -0.004014 -0.000213 0.001637 -0.002235 -0.000920 30O 2dyz -0.002353 -0.000082 -0.001101 0.001727 -0.002228 -0.002657 30O 2dx2y2 0.002714 0.000028 0.000184 -0.000296 -0.000824 0.003336 30O 2dxy -0.004065 -0.003089 0.001339 -0.000579 0.002468 -0.001982 30O 1f0 -0.000298 -0.000378 -0.000106 -0.000075 0.000059 -0.000025 30O 1f+1 0.000167 0.000882 -0.000033 0.000192 0.000175 0.001028 30O 1f-1 0.000173 0.001316 -0.000384 0.000543 -0.000075 -0.000220 30O 1f+2 -0.000800 -0.000310 -0.000785 0.001134 -0.000462 -0.000208 30O 1f-2 -0.000434 -0.000080 0.000203 -0.000373 -0.000548 -0.000398 30O 1f+3 0.000071 -0.000522 -0.000621 0.000503 0.000319 -0.000550 30O 1f-3 -0.000491 0.000093 -0.000720 0.000847 -0.000611 0.000541 31O 1s -0.000086 0.000056 -0.002697 0.003066 0.001205 0.000038 31O 2s -0.000254 0.000109 -0.006548 0.007457 0.002907 0.000086 31O 3s 0.000785 0.000159 0.010398 -0.011973 -0.004838 -0.000070 31O 4s -0.003867 -0.001715 0.017339 -0.019670 -0.005401 -0.000491 31O 5s 0.050452 0.004958 -0.004132 0.008416 -0.003208 0.003456 31O 1pz 0.004871 -0.143175 0.029807 -0.038146 0.019879 0.028421 31O 1px -0.139411 -0.024637 0.050496 -0.059661 -0.014797 0.005195 31O 1py 0.118637 -0.102773 -0.057523 0.069321 -0.023530 0.019664 31O 2pz 0.003547 -0.121038 0.026541 -0.031803 0.016885 0.026061 31O 2px -0.120323 -0.020889 0.042313 -0.050190 -0.012536 0.004632 31O 2py 0.100678 -0.087196 -0.048403 0.059088 -0.020357 0.017655 31O 3pz -0.000357 -0.087856 0.019871 -0.036515 0.022694 0.007109 31O 3px -0.096521 -0.015741 0.035575 -0.045922 -0.012326 -0.000003 31O 3py 0.081341 -0.062998 -0.050868 0.056474 -0.024783 0.004381 31O 1dz2 -0.000270 -0.001440 0.000289 -0.000107 0.000067 0.001693 31O 1dxz -0.000710 0.001117 0.000330 -0.000635 -0.000482 -0.000516 31O 1dyz 0.000743 0.000186 -0.000225 0.000287 -0.000588 -0.000545 31O 1dx2y2 0.001857 -0.000393 -0.000681 0.000813 -0.000250 0.000682 31O 1dxy -0.000402 0.001166 -0.000463 0.000353 0.000711 -0.000716 31O 2dz2 -0.002190 -0.002507 0.001049 -0.000066 0.000023 0.006993 31O 2dxz -0.000432 0.004003 0.000208 -0.001645 -0.002219 -0.000915 31O 2dyz -0.002348 0.000100 0.001085 -0.001735 -0.002208 -0.002651 31O 2dx2y2 0.002702 -0.000045 -0.000188 0.000290 -0.000810 0.003330 31O 2dxy -0.004039 0.003127 -0.001329 0.000588 0.002452 -0.001977 31O 1f0 0.000295 -0.000381 -0.000106 -0.000074 -0.000058 0.000026 31O 1f+1 -0.000158 0.000880 -0.000033 0.000189 -0.000174 -0.001025 31O 1f-1 -0.000160 0.001315 -0.000384 0.000544 0.000074 0.000220 31O 1f+2 0.000799 -0.000318 -0.000782 0.001136 0.000461 0.000206 31O 1f-2 0.000435 -0.000085 0.000206 -0.000370 0.000547 0.000399 31O 1f+3 -0.000077 -0.000519 -0.000624 0.000502 -0.000316 0.000547 31O 1f-3 0.000493 0.000089 -0.000716 0.000848 0.000611 -0.000542 32O 1s 0.001837 -0.000028 -0.000112 0.002176 -0.008085 -0.000244 32O 2s 0.004399 -0.000067 -0.000268 0.005253 -0.019647 -0.000605 32O 3s -0.006517 0.000082 0.000418 -0.008366 0.032797 0.001055 32O 4s -0.012741 0.000340 0.000811 -0.011873 0.039714 0.000300 32O 5s -0.002002 -0.000596 -0.000854 -0.017345 0.062068 0.009165 32O 1pz -0.002354 0.000116 0.014905 -0.003857 -0.047962 -0.000590 32O 1px 0.009456 0.000528 0.008151 0.019831 0.142190 0.000877 32O 1py 0.037733 0.000156 0.000338 0.051442 0.051903 -0.000767 32O 2pz -0.002054 -0.000008 0.013463 -0.003398 -0.040343 -0.000451 32O 2px 0.008594 0.000347 0.007145 0.016679 0.119775 0.000477 32O 2py 0.031181 0.000218 0.000222 0.043161 0.044769 -0.000230 32O 3pz -0.002160 0.000133 -0.004434 -0.005556 -0.035411 -0.001205 32O 3px 0.005454 0.000421 0.000847 0.020804 0.108141 -0.001242 32O 3py 0.027340 -0.000167 0.000762 0.025649 0.046943 0.002847 32O 1dz2 -0.000094 0.000007 0.000501 -0.000001 0.000361 -0.000012 32O 1dxz 0.000067 -0.000003 -0.000577 0.000143 0.001026 -0.000029 32O 1dyz 0.000128 0.000008 0.000484 0.000218 -0.000186 0.000008 32O 1dx2y2 -0.000253 -0.000010 -0.000257 -0.000487 -0.001985 0.000009 32O 1dxy -0.000359 0.000001 0.000225 -0.000580 0.000680 0.000059 32O 2dz2 -0.000528 -0.000008 0.002412 -0.000452 0.000178 -0.000486 32O 2dxz 0.000324 -0.000006 -0.003336 -0.000002 0.002631 -0.000028 32O 2dyz 0.000409 -0.000046 0.000750 0.001290 -0.001408 0.000172 32O 2dx2y2 -0.001328 0.000012 -0.001372 -0.001217 -0.004755 -0.000671 32O 2dxy -0.001273 0.000022 0.000647 -0.003281 0.004660 -0.000173 32O 1f0 -0.000042 0.000007 0.000153 -0.000076 -0.000708 0.000103 32O 1f+1 0.000088 0.000005 0.000408 0.000189 0.000706 -0.000094 32O 1f-1 0.000275 -0.000002 0.000179 0.000439 0.000566 0.000004 32O 1f+2 -0.000043 -0.000001 -0.000244 -0.000091 0.000354 -0.000038 32O 1f-2 0.000214 0.000006 -0.000282 0.000401 0.000714 0.000083 32O 1f+3 -0.000308 -0.000003 0.000163 -0.000488 -0.000247 0.000071 32O 1f-3 0.000042 -0.000002 0.000128 0.000316 0.000927 0.000017 33O 1s 0.000025 0.000038 -0.003358 -0.002526 0.000586 0.000008 33O 2s 0.000111 0.000099 -0.008177 -0.006137 0.001407 0.000011 33O 3s -0.000715 -0.000235 0.013295 0.009807 -0.002511 0.000093 33O 4s 0.003580 -0.000243 0.020267 0.016146 -0.001942 -0.000574 33O 5s -0.031189 0.000112 -0.001928 -0.007334 0.016225 -0.000501 33O 1pz 0.007107 0.088463 0.068214 0.055998 0.026335 0.017310 33O 1px 0.055636 0.056513 0.050143 0.042524 -0.008654 0.010496 33O 1py 0.126495 -0.144824 0.064066 0.046765 0.015363 -0.026042 33O 2pz 0.006362 0.075034 0.058882 0.046991 0.025110 0.015827 33O 2px 0.048188 0.048002 0.041993 0.035446 -0.009486 0.009895 33O 2py 0.107274 -0.122701 0.053991 0.040522 0.013935 -0.023826 33O 3pz 0.008823 0.053228 0.054981 0.051779 0.022793 0.003747 33O 3px 0.039187 0.034624 0.032682 0.031664 -0.015711 0.002051 33O 3py 0.081280 -0.088800 0.052984 0.032875 0.012076 -0.005387 33O 1dz2 0.000306 0.001116 0.000642 0.000418 0.000353 0.001444 33O 1dxz 0.000134 -0.000336 0.000440 0.000468 -0.000660 -0.000024 33O 1dyz 0.000858 -0.001053 0.000440 0.000437 0.000244 -0.001039 33O 1dx2y2 -0.000592 -0.000430 -0.000811 -0.000541 0.000012 0.000138 33O 1dxy -0.001212 0.001478 -0.000149 -0.000303 -0.000414 0.001069 33O 2dz2 -0.000490 0.001933 -0.000096 -0.000690 0.001369 0.006125 33O 2dxz 0.000014 -0.002119 0.001503 0.001714 -0.003310 0.000642 33O 2dyz -0.000848 -0.002029 -0.001225 -0.000245 0.001047 -0.004163 33O 2dx2y2 -0.000345 -0.002378 -0.001426 -0.000788 0.001240 0.001731 33O 2dxy -0.004027 0.004127 0.000559 -0.000651 -0.001433 0.003487 33O 1f0 -0.000274 0.001094 0.000657 0.000677 -0.000339 -0.000312 33O 1f+1 0.000487 -0.000795 -0.000597 -0.000630 -0.000365 -0.000860 33O 1f-1 0.000618 -0.000164 0.000729 0.000462 -0.000405 -0.000260 33O 1f+2 -0.000609 0.000335 -0.000493 -0.000500 0.000670 -0.000427 33O 1f-2 -0.000387 0.001040 -0.000774 -0.000526 -0.000119 0.000477 33O 1f+3 -0.000147 0.000117 -0.000635 -0.000281 0.000170 0.000042 33O 1f-3 -0.000254 0.000661 -0.000083 -0.000017 -0.000294 0.000760 34O 1s 0.000052 -0.000124 -0.002705 0.003282 0.000582 -0.000029 34O 2s 0.000189 -0.000305 -0.006573 0.007965 0.001394 -0.000071 34O 3s -0.000864 0.000489 0.010499 -0.012579 -0.002454 0.000122 34O 4s 0.004426 0.000853 0.017611 -0.022179 -0.002241 0.000263 34O 5s -0.048554 0.000589 -0.010864 0.013948 0.017236 0.002386 34O 1pz 0.063615 0.141660 0.046409 -0.062923 0.011062 0.024592 34O 1px -0.071929 0.029932 -0.003179 0.004981 0.019490 0.004025 34O 1py -0.155004 0.096107 -0.069908 0.086287 -0.025262 0.016271 34O 2pz 0.055521 0.119738 0.040059 -0.052607 0.009973 0.022708 34O 2px -0.062659 0.025612 -0.002265 0.003948 0.020125 0.003996 34O 2py -0.132148 0.081352 -0.058559 0.073444 -0.023056 0.014761 34O 3pz 0.044559 0.087957 0.031273 -0.052892 0.003044 0.003699 34O 3px -0.046953 0.019652 0.000056 -0.003476 0.023679 0.001471 34O 3py -0.103847 0.058953 -0.059614 0.067513 -0.017589 0.002598 34O 1dz2 0.000003 -0.000241 0.000067 -0.000217 -0.000358 0.000487 34O 1dxz 0.000783 0.001671 0.000615 -0.000500 0.000314 0.001509 34O 1dyz 0.000198 -0.000299 -0.000195 0.000232 0.000115 -0.000615 34O 1dx2y2 -0.000978 0.000631 -0.000638 0.000874 0.000317 0.000821 34O 1dxy -0.001668 0.001073 -0.000302 0.000594 -0.000713 0.000838 34O 2dz2 0.001608 -0.002213 0.000827 -0.001514 -0.001765 0.003258 34O 2dxz 0.001053 0.004041 0.000825 0.000516 0.000378 0.005529 34O 2dyz 0.004800 -0.000353 0.000509 -0.000863 0.000055 -0.002812 34O 2dx2y2 0.000308 0.000783 -0.000993 0.001712 0.002576 0.003907 34O 2dxy -0.002478 0.003175 0.001409 -0.000673 -0.002663 0.002605 34O 1f0 -0.000252 -0.000803 -0.000266 0.000527 0.000202 -0.000637 34O 1f+1 0.000292 0.000186 -0.000074 -0.000141 -0.000380 -0.000399 34O 1f-1 0.000031 -0.000555 0.000156 -0.000376 0.000076 0.000648 34O 1f+2 -0.000562 0.000811 0.000352 -0.000517 0.000127 0.000522 34O 1f-2 -0.000398 -0.000750 -0.000466 0.000704 0.000429 -0.000048 34O 1f+3 0.001060 -0.000814 0.000865 -0.000850 -0.000663 -0.000211 34O 1f-3 0.000045 -0.000481 0.000668 -0.000776 0.000384 -0.000749 35O 1s 0.000149 -0.000085 -0.003465 -0.002429 0.001214 -0.000036 35O 2s 0.000324 -0.000189 -0.008411 -0.005878 0.002923 -0.000087 35O 3s -0.000211 0.000103 0.013268 0.008976 -0.004769 0.000160 35O 4s -0.004216 0.001500 0.022894 0.018285 -0.005594 -0.000015 35O 5s 0.034079 -0.003759 -0.005825 -0.016297 -0.006393 0.000202 35O 1pz -0.053573 -0.088147 0.090025 0.067302 0.016510 0.015409 35O 1px 0.077637 -0.052333 -0.017566 -0.011301 0.024911 0.010562 35O 1py -0.101106 0.140063 0.048541 0.036787 0.017211 -0.025760 35O 2pz -0.046751 -0.074780 0.076234 0.056094 0.014388 0.014169 35O 2px 0.066513 -0.044301 -0.013655 -0.009507 0.020973 0.009582 35O 2py -0.085343 0.118244 0.040857 0.032136 0.015090 -0.023724 35O 3pz -0.038281 -0.053433 0.069951 0.059252 0.018773 0.002310 35O 3px 0.052810 -0.033241 -0.007960 -0.004778 0.024234 0.002079 35O 3py -0.064513 0.087721 0.044976 0.025726 0.015939 -0.004608 35O 1dz2 -0.000116 -0.000021 0.000503 0.000421 -0.000402 0.000709 35O 1dxz -0.000555 -0.001055 0.000609 0.000298 0.000619 0.001033 35O 1dyz -0.000353 -0.000271 0.000530 0.000344 0.000194 -0.000128 35O 1dx2y2 0.001232 -0.001285 -0.000677 -0.000647 0.000279 0.001388 35O 1dxy -0.000833 0.001362 -0.000271 0.000042 0.000716 -0.000929 35O 2dz2 0.000962 0.001136 0.000482 0.000448 -0.001768 0.004073 35O 2dxz -0.001412 -0.002192 -0.000025 -0.000874 0.001947 0.003992 35O 2dyz 0.002756 -0.001615 -0.000713 -0.001076 0.000804 -0.001290 35O 2dx2y2 0.002301 -0.002334 -0.000496 -0.001332 0.001196 0.005611 35O 2dxy -0.001692 0.003821 -0.002020 -0.000521 0.002524 -0.002702 35O 1f0 -0.000077 0.000074 -0.000539 -0.000593 -0.000074 -0.000964 35O 1f+1 -0.000153 -0.000399 0.000664 0.000678 -0.000580 -0.000260 35O 1f-1 -0.000138 -0.000571 0.000052 0.000137 -0.000427 0.000144 35O 1f+2 0.000560 -0.000838 0.000207 0.000190 0.000388 -0.000147 35O 1f-2 -0.000177 -0.000234 0.001151 0.000750 -0.000200 0.000015 35O 1f+3 -0.000763 0.001152 0.000727 0.000422 -0.000206 -0.000761 35O 1f-3 -0.000070 -0.000200 -0.000034 -0.000087 -0.000506 0.000543 114 115 116 117 118 119 -0.20152 -0.20009 -0.19843 -0.08567 -0.07750 -0.06339 1.00000 1.00000 1.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s -0.000004 -0.000024 0.000124 0.000622 -0.000003 -0.000002 0Rh 2s 0.000009 0.000117 -0.000425 -0.002088 0.000018 0.000019 0Rh 3s -0.000019 -0.000067 0.000458 0.002322 -0.000004 -0.000003 0Rh 4s -0.000036 -0.000509 0.001802 0.008939 -0.000080 -0.000083 0Rh 5s -0.000007 0.000505 -0.001076 -0.003952 0.000090 0.000108 0Rh 6s 0.000163 0.000462 -0.004105 -0.028237 0.000062 -0.000003 0Rh 7s 0.000181 -0.000101 0.005746 0.039925 -0.000205 0.001016 0Rh 8s 0.001941 -0.000448 0.005983 -0.023441 -0.001926 -0.001833 0Rh 1pz 0.000002 0.005456 0.000139 0.001826 -0.000169 -0.000114 0Rh 1px 0.000025 0.001883 0.000206 -0.005667 -0.000006 -0.000055 0Rh 1py 0.000001 -0.000205 0.005623 -0.001127 -0.000032 -0.000034 0Rh 2pz -0.000009 -0.018571 -0.000480 -0.006224 0.000570 0.000389 0Rh 2px -0.000087 -0.006404 -0.000684 0.019319 0.000019 0.000189 0Rh 2py -0.000003 0.000698 -0.019136 0.003858 0.000105 0.000115 0Rh 3pz 0.000031 0.015704 0.000499 0.005387 -0.000401 -0.000335 0Rh 3px 0.000121 0.005367 0.000302 -0.016897 -0.000009 -0.000166 0Rh 3py -0.000035 -0.000613 0.016137 -0.003666 -0.000004 -0.000085 0Rh 4pz -0.000015 0.023690 0.000348 0.007458 -0.000987 -0.000431 0Rh 4px -0.000024 0.008223 0.001681 -0.022324 -0.000060 -0.000225 0Rh 4py 0.000142 -0.000818 0.024521 -0.003432 -0.000384 -0.000137 0Rh 5pz -0.000156 -0.000220 0.000323 0.000345 0.000486 -0.000146 0Rh 5px 0.000147 -0.000097 -0.001136 -0.002837 0.000069 -0.000020 0Rh 5py -0.000170 -0.000123 -0.000649 -0.002593 0.000202 -0.000239 0Rh 6pz 0.003459 -0.086380 -0.006015 -0.005899 -0.004580 0.001172 0Rh 6px -0.000608 -0.026754 0.011899 0.031615 0.000153 -0.000326 0Rh 6py -0.000720 0.004810 -0.074769 0.026539 -0.000284 0.007128 0Rh 1dz2 0.113922 -0.085710 -0.007004 0.064899 -0.059511 -0.057092 0Rh 1dxz 0.053458 0.138721 0.024497 0.088108 0.004282 0.005653 0Rh 1dyz -0.060024 0.030787 -0.047411 0.014796 -0.144598 -0.142161 0Rh 1dx2y2 0.081557 0.051764 -0.058775 -0.132950 -0.021074 -0.021062 0Rh 1dxy 0.007110 0.003468 0.154685 -0.049557 -0.056034 -0.054853 0Rh 2dz2 -0.003723 0.002817 0.000264 -0.002202 0.002055 0.001964 0Rh 2dxz -0.001802 -0.004687 -0.000807 -0.003013 -0.000119 -0.000162 0Rh 2dyz 0.001972 -0.001053 0.001626 -0.000506 0.005041 0.004943 0Rh 2dx2y2 -0.002638 -0.001731 0.001936 0.004447 0.000753 0.000747 0Rh 2dxy -0.000234 -0.000126 -0.005277 0.001732 0.001950 0.001921 0Rh 3dz2 -0.169352 0.127159 0.010353 -0.097529 0.089372 0.086074 0Rh 3dxz -0.079439 -0.205821 -0.036420 -0.132621 -0.006518 -0.008648 0Rh 3dyz 0.089158 -0.045562 0.070311 -0.022237 0.216985 0.214182 0Rh 3dx2y2 -0.121304 -0.076678 0.087170 0.199976 0.031611 0.031724 0Rh 3dxy -0.010623 -0.005130 -0.229478 0.074474 0.084131 0.082609 0Rh 4dz2 -0.223664 0.168082 0.013842 -0.126142 0.116411 0.111164 0Rh 4dxz -0.104907 -0.271948 -0.047856 -0.170933 -0.008128 -0.010676 0Rh 4dyz 0.117995 -0.060674 0.092937 -0.028749 0.283092 0.277059 0Rh 4dx2y2 -0.159842 -0.101624 0.115242 0.258132 0.041325 0.041081 0Rh 4dxy -0.013855 -0.006842 -0.303434 0.096310 0.109724 0.107136 0Rh 5dz2 -0.148607 0.113803 0.008815 -0.092688 0.079599 0.078056 0Rh 5dxz -0.069776 -0.183632 -0.033109 -0.125951 -0.006334 -0.008665 0Rh 5dyz 0.077429 -0.040009 0.063115 -0.021021 0.192619 0.193456 0Rh 5dx2y2 -0.107502 -0.068808 0.078723 0.190453 0.027763 0.028569 0Rh 5dxy -0.009551 -0.004476 -0.204541 0.070230 0.074420 0.073704 0Rh 1f0 0.000710 0.001487 -0.000910 0.001697 -0.000743 -0.000294 0Rh 1f+1 -0.000530 0.002434 0.000272 -0.001553 0.001033 0.000476 0Rh 1f-1 -0.000409 -0.000563 -0.000522 -0.000427 -0.001047 -0.000366 0Rh 1f+2 -0.000304 -0.000671 -0.000639 -0.002041 -0.000721 -0.000381 0Rh 1f-2 0.000445 -0.000618 0.000817 -0.001013 0.002254 0.000947 0Rh 1f+3 0.000754 0.000610 -0.000657 -0.002664 -0.000236 -0.000115 0Rh 1f-3 0.000232 0.000356 0.002429 -0.001905 -0.001158 -0.000382 1Rh 1s 0.000005 -0.000021 0.000128 -0.000589 0.000005 -0.000004 1Rh 2s -0.000010 0.000106 -0.000436 0.001969 -0.000026 0.000026 1Rh 3s 0.000020 -0.000057 0.000469 -0.002203 0.000010 -0.000009 1Rh 4s 0.000041 -0.000461 0.001852 -0.008433 0.000113 -0.000114 1Rh 5s 0.000005 0.000468 -0.001113 0.003634 -0.000119 0.000131 1Rh 6s -0.000175 0.000384 -0.004194 0.027168 -0.000110 0.000051 1Rh 7s -0.000186 0.000112 0.005890 -0.039155 0.000142 0.001018 1Rh 8s -0.001866 -0.000423 0.006004 0.024595 0.002184 -0.002202 1Rh 1pz -0.000021 -0.005455 -0.000140 0.001866 -0.000171 0.000124 1Rh 1px 0.000017 -0.001875 -0.000198 -0.005777 -0.000006 0.000051 1Rh 1py -0.000025 0.000207 -0.005621 -0.001148 -0.000043 0.000037 1Rh 2pz 0.000070 0.018570 0.000482 -0.006358 0.000578 -0.000422 1Rh 2px -0.000060 0.006377 0.000657 0.019693 0.000020 -0.000174 1Rh 2py 0.000088 -0.000707 0.019129 0.003929 0.000141 -0.000124 1Rh 3pz -0.000037 -0.015699 -0.000501 0.005501 -0.000406 0.000361 1Rh 3px 0.000099 -0.005346 -0.000279 -0.017197 -0.000010 0.000154 1Rh 3py -0.000115 0.000621 -0.016128 -0.003723 -0.000032 0.000093 1Rh 4pz -0.000115 -0.023704 -0.000350 0.007620 -0.001001 0.000482 1Rh 4px -0.000061 -0.008184 -0.001651 -0.022838 -0.000059 0.000207 1Rh 4py 0.000038 0.000828 -0.024524 -0.003526 -0.000442 0.000151 1Rh 5pz -0.000146 0.000244 -0.000335 0.000399 0.000500 0.000135 1Rh 5px 0.000153 0.000083 0.001138 -0.002844 0.000061 0.000023 1Rh 5py -0.000187 0.000114 0.000668 -0.002596 0.000224 0.000224 1Rh 6pz 0.003555 0.086240 0.006239 -0.007171 -0.004634 -0.001315 1Rh 6px -0.000625 0.027127 -0.011837 0.032245 0.000214 0.000293 1Rh 6py -0.000336 -0.004543 0.074742 0.026658 -0.000311 -0.007060 1Rh 1dz2 -0.113792 -0.085256 -0.006432 -0.064599 0.060062 -0.056487 1Rh 1dxz -0.052821 0.138675 0.024635 -0.087682 -0.004383 0.005568 1Rh 1dyz 0.059679 0.030645 -0.047605 -0.014660 0.146054 -0.140656 1Rh 1dx2y2 -0.081362 0.051917 -0.058606 0.132352 0.021238 -0.020702 1Rh 1dxy -0.006522 0.003340 0.154452 0.049536 0.056584 -0.054230 1Rh 2dz2 0.003717 0.002802 0.000246 0.002190 -0.002072 0.001942 1Rh 2dxz 0.001779 -0.004684 -0.000811 0.002996 0.000123 -0.000159 1Rh 2dyz -0.001960 -0.001047 0.001632 0.000502 -0.005087 0.004886 1Rh 2dx2y2 0.002631 -0.001735 0.001930 -0.004422 -0.000757 0.000732 1Rh 2dxy 0.000214 -0.000122 -0.005267 -0.001729 -0.001968 0.001899 1Rh 3dz2 0.169165 0.126486 0.009502 0.097100 -0.090206 0.085168 1Rh 3dxz 0.078499 -0.205758 -0.036628 0.132003 0.006670 -0.008518 1Rh 3dyz -0.088651 -0.045354 0.070601 0.022035 -0.219190 0.211937 1Rh 3dx2y2 0.121021 -0.076910 0.086924 -0.199119 -0.031864 0.031188 1Rh 3dxy 0.009753 -0.004941 -0.229137 -0.074457 -0.084960 0.081674 1Rh 4dz2 0.223421 0.167200 0.012723 0.125574 -0.117491 0.109985 1Rh 4dxz 0.103657 -0.271866 -0.048128 0.170144 0.008321 -0.010511 1Rh 4dyz -0.117325 -0.060395 0.093325 0.028494 -0.285939 0.274120 1Rh 4dx2y2 0.159468 -0.101922 0.114917 -0.257006 -0.041637 0.040370 1Rh 4dxy 0.012696 -0.006595 -0.302983 -0.096281 -0.110812 0.105928 1Rh 5dz2 0.148359 0.113189 0.008067 0.092205 -0.080307 0.077203 1Rh 5dxz 0.068914 -0.183556 -0.033279 0.125184 0.006482 -0.008542 1Rh 5dyz -0.076935 -0.039821 0.063355 0.020793 -0.194502 0.191363 1Rh 5dx2y2 0.107194 -0.069004 0.078479 -0.189443 -0.027996 0.028097 1Rh 5dxy 0.008787 -0.004297 -0.204220 -0.070158 -0.075103 0.072811 1Rh 1f0 0.000704 -0.001497 0.000900 0.001725 -0.000748 0.000278 1Rh 1f+1 -0.000538 -0.002439 -0.000276 -0.001569 0.001036 -0.000469 1Rh 1f-1 -0.000401 0.000556 0.000516 -0.000435 -0.001050 0.000353 1Rh 1f+2 -0.000308 0.000683 0.000653 -0.002067 -0.000732 0.000367 1Rh 1f-2 0.000444 0.000615 -0.000817 -0.001020 0.002263 -0.000926 1Rh 1f+3 0.000757 -0.000606 0.000658 -0.002702 -0.000237 0.000113 1Rh 1f-3 0.000222 -0.000365 -0.002436 -0.001928 -0.001160 0.000369 2C 1s -0.000002 -0.000050 -0.000141 -0.000137 0.000160 0.008447 2C 2s -0.000004 -0.000143 -0.000343 -0.000314 0.000366 0.018886 2C 3s -0.000096 0.000473 0.001117 0.000523 -0.000593 -0.037174 2C 4s 0.000573 -0.001401 -0.002831 -0.000081 -0.000325 -0.032334 2C 5s 0.007142 0.024561 0.026912 0.023311 -0.020207 -0.072422 2C 1pz -0.001890 -0.002244 -0.000974 -0.001925 0.003411 -0.040446 2C 1px 0.000227 0.006415 0.004958 0.006756 -0.010577 -0.012512 2C 1py 0.002869 0.000927 0.001597 0.001570 -0.002032 -0.025753 2C 2pz 0.001457 -0.002694 -0.002240 -0.001551 0.002763 -0.035064 2C 2px -0.000352 0.007614 0.005394 0.006783 -0.008428 -0.010413 2C 2py -0.001270 0.000951 0.001432 0.001201 -0.001693 -0.021990 2C 3pz -0.016520 -0.000030 0.001293 0.004350 -0.002015 -0.009698 2C 3px 0.008565 0.007851 0.007017 -0.000672 0.003181 -0.032363 2C 3py 0.025264 0.002637 0.004079 0.004064 -0.000854 -0.005611 2C 1dz2 0.000064 0.000078 0.000092 0.000689 -0.001225 -0.000385 2C 1dxz -0.000168 -0.000285 -0.000225 -0.001622 0.002874 -0.000476 2C 1dyz -0.000126 0.000184 0.000117 0.000503 -0.000920 -0.000202 2C 1dx2y2 -0.000264 0.000239 0.000147 0.000597 -0.001073 0.000669 2C 1dxy 0.000337 -0.000181 -0.000100 -0.001052 0.001864 0.000092 2C 2dz2 -0.000097 -0.000971 -0.000740 0.002131 -0.004059 0.000611 2C 2dxz -0.000542 0.001438 0.001047 -0.004408 0.008137 -0.000679 2C 2dyz -0.000532 -0.000579 -0.000720 0.001021 -0.001303 0.000860 2C 2dx2y2 -0.001221 -0.000036 0.000117 0.001317 -0.001604 0.002075 2C 2dxy 0.002198 0.000933 0.000434 -0.002944 0.005856 0.000965 2C 1f0 -0.000026 -0.000111 -0.000031 0.000559 -0.000977 0.000020 2C 1f+1 -0.000021 0.000029 -0.000040 -0.000369 0.000740 -0.000333 2C 1f-1 -0.000029 0.000057 -0.000005 0.000168 -0.000326 -0.000102 2C 1f+2 -0.000052 0.000109 0.000099 -0.000204 0.000364 0.000029 2C 1f-2 0.000064 0.000084 0.000049 -0.000660 0.001212 0.000313 2C 1f+3 0.000025 0.000006 0.000046 -0.000211 0.000382 -0.000338 2C 1f-3 0.000044 -0.000017 -0.000017 0.000277 -0.000474 -0.000357 3C 1s -0.000037 -0.000050 -0.000025 -0.000041 -0.000072 -0.008467 3C 2s -0.000077 -0.000132 -0.000037 -0.000098 -0.000182 -0.018919 3C 3s -0.000092 0.000454 0.000191 0.000486 0.000754 0.037099 3C 4s 0.001897 -0.001473 -0.000337 -0.001227 -0.002247 0.032883 3C 5s 0.005657 0.013930 -0.014322 -0.006053 0.012876 0.072299 3C 1pz -0.001466 -0.001348 0.002345 -0.002186 -0.003223 0.019914 3C 1px -0.002217 0.005114 -0.006008 0.006909 0.010494 0.017357 3C 1py -0.001924 0.000973 -0.001887 0.001373 0.002190 -0.041910 3C 2pz 0.001193 -0.001642 0.002131 -0.002459 -0.002923 0.017900 3C 2px 0.001953 0.006029 -0.007146 0.005873 0.007711 0.014769 3C 2py 0.000243 0.001905 -0.001581 0.002117 0.002329 -0.035744 3C 3pz -0.008070 -0.000350 0.001943 -0.002108 0.002933 -0.015966 3C 3px -0.025448 0.006828 -0.007535 -0.001545 -0.002772 0.023959 3C 3py -0.016521 -0.000201 0.000412 0.003446 -0.000125 -0.021658 3C 1dz2 0.000155 0.000016 -0.000069 0.000477 0.000808 0.000212 3C 1dxz -0.000402 -0.000250 0.000395 -0.001474 -0.002542 0.000502 3C 1dyz -0.000029 -0.000161 0.000204 -0.001017 -0.001725 0.000040 3C 1dx2y2 -0.000082 -0.000037 0.000068 -0.000608 -0.001039 -0.000699 3C 1dxy -0.000214 0.000105 -0.000111 0.001130 0.001936 -0.000346 3C 2dz2 0.001160 -0.000230 0.000401 0.001363 0.002697 0.001715 3C 2dxz -0.001884 0.000606 -0.000975 -0.003565 -0.005626 0.000706 3C 2dyz 0.000098 0.001021 -0.000856 -0.001867 -0.004023 0.000853 3C 2dx2y2 -0.001024 0.000567 -0.000598 -0.001902 -0.003632 -0.000830 3C 2dxy -0.000934 -0.000858 0.001249 0.003590 0.006934 -0.000018 3C 1f0 0.000017 -0.000077 0.000063 -0.000025 0.000005 -0.000160 3C 1f+1 -0.000064 0.000004 0.000022 0.000215 0.000392 0.000157 3C 1f-1 0.000008 0.000055 -0.000013 -0.000235 -0.000490 -0.000268 3C 1f+2 -0.000034 0.000025 0.000033 -0.000340 -0.000671 0.000338 3C 1f-2 0.000038 0.000034 -0.000053 0.000427 0.000726 0.000016 3C 1f+3 0.000036 0.000042 -0.000126 -0.000489 -0.000845 0.000284 3C 1f-3 -0.000028 0.000116 -0.000138 -0.000670 -0.001156 -0.000427 4C 1s 0.000025 -0.000009 0.000202 -0.000023 0.000032 -0.004321 4C 2s 0.000033 -0.000017 0.000466 -0.000078 0.000076 -0.009632 4C 3s -0.000105 -0.000684 -0.001507 0.002152 -0.000466 0.014896 4C 4s 0.001245 0.005274 0.001368 -0.011134 0.000257 0.049204 4C 5s 0.003362 -0.008410 -0.016945 -0.010172 0.006290 0.068929 4C 1pz -0.000475 -0.009684 -0.007842 0.006950 -0.013880 0.011949 4C 1px 0.000049 0.030291 0.022130 -0.020834 0.043219 0.002985 4C 1py 0.000567 0.005449 0.003164 -0.003910 0.008062 0.004703 4C 2pz -0.000367 -0.007044 -0.006633 0.003619 -0.019780 0.016087 4C 2px 0.000365 0.024667 0.016420 -0.022317 0.062779 0.003990 4C 2py 0.001398 0.004899 0.001807 -0.005841 0.012175 0.007055 4C 3pz 0.013257 0.019538 0.015131 0.019255 -0.025689 0.072354 4C 3px -0.006151 -0.034769 -0.025209 -0.028232 0.060934 0.032496 4C 3py -0.003648 -0.001533 -0.000521 0.000474 0.007575 0.051961 4C 1dz2 0.002089 -0.002161 -0.001222 -0.001801 0.002876 -0.005712 4C 1dxz -0.002773 0.003568 0.002321 0.003278 -0.004904 -0.004560 4C 1dyz -0.002536 0.000095 -0.000215 -0.000050 0.000125 -0.005831 4C 1dx2y2 -0.003128 0.000503 -0.000137 0.000047 -0.000391 0.006438 4C 1dxy 0.005272 0.002221 0.002328 0.002430 -0.003917 0.000864 4C 2dz2 0.004096 -0.004576 -0.002242 -0.002446 0.001593 -0.011545 4C 2dxz -0.006899 0.007034 0.004636 0.005533 -0.003179 -0.012283 4C 2dyz -0.005866 -0.000060 0.000257 -0.000512 0.000032 -0.008330 4C 2dx2y2 -0.006928 0.001606 -0.000100 -0.000433 -0.000133 0.016706 4C 2dxy 0.013018 0.005487 0.004162 0.003470 -0.002705 0.004053 4C 1f0 0.000940 -0.001095 -0.000777 -0.000966 0.001767 -0.000076 4C 1f+1 -0.001010 0.001058 0.000763 0.001188 -0.001756 -0.000486 4C 1f-1 -0.000644 -0.000591 -0.000473 -0.000299 0.000368 0.000213 4C 1f+2 -0.000510 0.000400 0.000299 0.000523 -0.001457 0.000138 4C 1f-2 0.000716 0.001615 0.001214 0.001274 -0.001863 -0.000087 4C 1f+3 0.001240 0.000676 0.000607 0.001017 -0.002085 0.000059 4C 1f-3 0.000291 -0.000358 -0.000167 0.000380 -0.000784 -0.000290 5C 1s -0.000055 0.000022 0.000195 0.000063 0.000009 0.004325 5C 2s -0.000140 0.000046 0.000453 0.000178 0.000033 0.009641 5C 3s 0.000257 0.000551 -0.001643 -0.002217 -0.000351 -0.014502 5C 4s 0.001234 -0.003604 0.001503 0.010977 0.001979 -0.051619 5C 5s 0.003703 -0.010561 0.004185 0.002187 -0.005687 -0.068204 5C 1pz -0.000080 -0.007727 0.009615 0.006491 0.013542 -0.004604 5C 1px -0.000470 0.022919 -0.029573 -0.021733 -0.042866 -0.003882 5C 1py -0.000298 0.004159 -0.004281 -0.003968 -0.008195 0.011458 5C 2pz 0.000074 -0.007126 0.007388 0.008363 0.019862 -0.007185 5C 2px -0.000876 0.017946 -0.021887 -0.021584 -0.062750 -0.005426 5C 2py -0.001059 0.004827 -0.003228 -0.006029 -0.011146 0.015575 5C 3pz 0.006475 0.009950 -0.014595 0.006378 0.018102 -0.034674 5C 3px 0.013395 -0.026921 0.031992 -0.032392 -0.059456 -0.041033 5C 3py -0.002809 -0.007868 0.012480 0.001265 -0.013833 0.076549 5C 1dz2 0.003283 -0.001230 0.001016 -0.001285 -0.001853 0.001567 5C 1dxz -0.005221 0.001878 -0.001360 0.001635 0.002545 0.004954 5C 1dyz 0.000180 0.001169 -0.001552 0.001395 0.002179 -0.004110 5C 1dx2y2 -0.000358 0.001484 -0.001956 0.002127 0.002988 -0.008037 5C 1dxy -0.004240 -0.002155 0.003502 -0.003149 -0.004778 -0.004614 5C 2dz2 0.007239 -0.001828 0.001647 -0.002530 -0.001297 0.006030 5C 2dxz -0.013226 0.003670 -0.002657 0.002480 0.001725 0.012301 5C 2dyz 0.000453 0.002542 -0.003351 0.001630 0.000979 -0.003697 5C 2dx2y2 -0.000172 0.002745 -0.003962 0.003096 0.001867 -0.019284 5C 2dxy -0.009364 -0.005551 0.006430 -0.005137 -0.003186 -0.009677 5C 1f0 0.000961 -0.000041 0.000098 -0.000484 -0.001069 0.000298 5C 1f+1 -0.001015 -0.000005 0.000084 0.000204 0.000729 0.000299 5C 1f-1 -0.000622 0.000592 -0.000708 0.000562 0.000759 0.000131 5C 1f+2 -0.000490 0.000882 -0.001134 0.001322 0.002300 0.000181 5C 1f-2 0.000763 -0.000911 0.001022 -0.000434 -0.000421 -0.000242 5C 1f+3 0.001206 0.000796 -0.001142 0.001152 0.002276 0.000293 5C 1f-3 0.000282 0.000892 -0.001255 0.001357 0.001910 -0.000274 6C 1s 0.000053 0.000026 0.000187 -0.000050 -0.000053 0.004324 6C 2s 0.000136 0.000055 0.000435 -0.000145 -0.000130 0.009640 6C 3s -0.000248 0.000554 -0.001644 0.002043 0.000492 -0.014502 6C 4s -0.001245 -0.003748 0.001758 -0.010572 -0.001453 -0.051621 6C 5s -0.003527 -0.010858 0.004723 -0.002351 0.006501 -0.068754 6C 1pz 0.000129 0.007762 -0.009671 0.006514 0.013523 0.004776 6C 1px -0.000350 -0.022914 0.029583 -0.021702 -0.042889 0.003434 6C 1py -0.000118 -0.004170 0.004298 -0.003976 -0.008024 -0.011529 6C 2pz 0.000300 0.007209 -0.007475 0.008340 0.019816 0.007454 6C 2px -0.000806 -0.017974 0.021907 -0.021550 -0.062830 0.004731 6C 2py -0.000892 -0.004876 0.003319 -0.005985 -0.010911 -0.015728 6C 3pz 0.006796 -0.010054 0.014742 0.006684 0.017930 0.035048 6C 3px 0.013292 0.026773 -0.031890 -0.032516 -0.059702 0.040822 6C 3py -0.002881 0.008070 -0.012779 0.000898 -0.013299 -0.076732 6C 1dz2 -0.003296 -0.001223 0.001024 0.001288 0.001837 0.001580 6C 1dxz 0.005220 0.001869 -0.001377 -0.001639 -0.002598 0.004928 6C 1dyz -0.000178 0.001169 -0.001549 -0.001391 -0.002134 -0.004135 6C 1dx2y2 0.000356 0.001479 -0.001949 -0.002124 -0.002898 -0.008074 6C 1dxy 0.004247 -0.002169 0.003487 0.003153 0.004829 -0.004560 6C 2dz2 -0.007238 -0.001811 0.001662 0.002511 0.001225 0.006052 6C 2dxz 0.013254 0.003643 -0.002714 -0.002476 -0.001847 0.012337 6C 2dyz -0.000464 0.002549 -0.003356 -0.001697 -0.000915 -0.003683 6C 2dx2y2 0.000186 0.002732 -0.003943 -0.003112 -0.001637 -0.019320 6C 2dxy 0.009375 -0.005593 0.006411 0.005166 0.003293 -0.009677 6C 1f0 0.000962 0.000037 -0.000097 -0.000480 -0.001064 -0.000311 6C 1f+1 -0.001019 0.000009 -0.000078 0.000203 0.000732 -0.000292 6C 1f-1 -0.000620 -0.000592 0.000709 0.000562 0.000759 -0.000123 6C 1f+2 -0.000486 -0.000882 0.001132 0.001323 0.002304 -0.000159 6C 1f-2 0.000763 0.000910 -0.001027 -0.000437 -0.000423 0.000242 6C 1f+3 0.001212 -0.000801 0.001138 0.001157 0.002284 -0.000270 6C 1f-3 0.000281 -0.000890 0.001249 0.001356 0.001905 0.000292 7C 1s -0.000022 0.000004 0.000212 0.000048 0.000010 -0.004320 7C 2s -0.000026 0.000011 0.000487 0.000136 0.000017 -0.009629 7C 3s 0.000086 -0.000743 -0.001565 -0.002375 0.000322 0.014883 7C 4s -0.001237 0.005247 0.001429 0.011493 -0.000708 0.049253 7C 5s -0.003676 -0.008978 -0.017360 0.009834 -0.007277 0.068579 7C 1pz -0.000268 0.009679 0.007833 0.006993 -0.013702 -0.011803 7C 1px -0.000034 -0.030317 -0.022143 -0.020849 0.043269 -0.002354 7C 1py 0.000315 -0.005415 -0.003144 -0.003858 0.008085 -0.005122 7C 2pz -0.000173 0.007051 0.006622 0.003594 -0.019570 -0.016029 7C 2px 0.000328 -0.024682 -0.016418 -0.022245 0.062859 -0.003148 7C 2py 0.001158 -0.004858 -0.001786 -0.005815 0.012221 -0.007432 7C 3pz 0.013021 -0.019961 -0.015495 0.019445 -0.025047 -0.071949 7C 3px -0.005396 0.034731 0.025206 -0.028456 0.061191 -0.032117 7C 3py -0.003780 0.001280 0.000345 0.000575 0.007936 -0.052810 7C 1dz2 -0.002111 -0.002161 -0.001222 0.001805 -0.002811 -0.005721 7C 1dxz 0.002800 0.003558 0.002309 -0.003272 0.004956 -0.004498 7C 1dyz 0.002541 0.000078 -0.000232 0.000052 -0.000059 -0.005841 7C 1dx2y2 0.003123 0.000500 -0.000143 -0.000055 0.000319 0.006462 7C 1dxy -0.005263 0.002246 0.002359 -0.002431 0.003908 0.000905 7C 2dz2 -0.004116 -0.004561 -0.002220 0.002491 -0.001464 -0.011520 7C 2dxz 0.006985 0.007007 0.004609 -0.005592 0.003312 -0.012253 7C 2dyz 0.005865 -0.000081 0.000233 0.000575 0.000069 -0.008358 7C 2dx2y2 0.006944 0.001583 -0.000119 0.000439 -0.000042 0.016754 7C 2dxy -0.012992 0.005558 0.004246 -0.003489 0.002650 0.004060 7C 1f0 0.000949 0.001088 0.000772 -0.000961 0.001765 0.000090 7C 1f+1 -0.001026 -0.001056 -0.000760 0.001191 -0.001766 0.000470 7C 1f-1 -0.000638 0.000596 0.000478 -0.000299 0.000369 -0.000211 7C 1f+2 -0.000513 -0.000396 -0.000297 0.000517 -0.001456 -0.000153 7C 1f-2 0.000701 -0.001621 -0.001220 0.001277 -0.001863 0.000074 7C 1f+3 0.001236 -0.000685 -0.000616 0.001015 -0.002087 -0.000077 7C 1f-3 0.000299 0.000354 0.000164 0.000381 -0.000789 0.000280 8C 1s 0.000038 -0.000054 -0.000022 0.000050 0.000163 -0.008468 8C 2s 0.000079 -0.000142 -0.000029 0.000119 0.000386 -0.018922 8C 3s 0.000083 0.000476 0.000169 -0.000504 -0.001151 0.037115 8C 4s -0.001867 -0.001497 -0.000288 0.001054 0.001924 0.032818 8C 5s -0.006047 0.014556 -0.015222 0.005389 -0.014128 0.072424 8C 1pz -0.001588 0.001335 -0.002321 -0.002191 -0.003004 -0.019980 8C 1px -0.002188 -0.005115 0.006008 0.006918 0.010685 -0.017348 8C 1py -0.001994 -0.000945 0.001866 0.001364 0.001714 0.041891 8C 2pz 0.001167 0.001625 -0.002129 -0.002423 -0.002749 -0.017939 8C 2px 0.001920 -0.006033 0.007127 0.005914 0.007858 -0.014759 8C 2py 0.000207 -0.001894 0.001556 0.002030 0.001952 0.035735 8C 3pz -0.008492 0.000285 -0.001793 -0.002140 0.002911 0.015791 8C 3px -0.025060 -0.006775 0.007681 -0.001451 -0.002536 -0.024743 8C 3py -0.016741 0.000348 -0.000517 0.003442 -0.000456 0.021285 8C 1dz2 -0.000155 0.000012 -0.000063 -0.000463 -0.000786 0.000204 8C 1dxz 0.000396 -0.000250 0.000391 0.001468 0.002528 0.000532 8C 1dyz 0.000035 -0.000163 0.000206 0.001029 0.001743 0.000059 8C 1dx2y2 0.000073 -0.000035 0.000065 0.000601 0.001030 -0.000688 8C 1dxy 0.000212 0.000105 -0.000112 -0.001138 -0.001945 -0.000367 8C 2dz2 -0.001175 -0.000224 0.000402 -0.001330 -0.002687 0.001672 8C 2dxz 0.001878 0.000596 -0.000982 0.003548 0.005608 0.000767 8C 2dyz -0.000102 0.001032 -0.000870 0.001899 0.004028 0.000905 8C 2dx2y2 0.001016 0.000567 -0.000607 0.001892 0.003604 -0.000779 8C 2dxy 0.000947 -0.000862 0.001251 -0.003586 -0.006968 -0.000098 8C 1f0 0.000018 0.000077 -0.000064 -0.000024 0.000011 0.000162 8C 1f+1 -0.000064 -0.000003 -0.000024 0.000217 0.000396 -0.000161 8C 1f-1 0.000007 -0.000057 0.000015 -0.000236 -0.000495 0.000260 8C 1f+2 -0.000034 -0.000024 -0.000034 -0.000342 -0.000670 -0.000343 8C 1f-2 0.000036 -0.000032 0.000050 0.000425 0.000724 -0.000016 8C 1f+3 0.000037 -0.000040 0.000124 -0.000485 -0.000838 -0.000297 8C 1f-3 -0.000027 -0.000117 0.000140 -0.000672 -0.001162 0.000410 9C 1s -0.000001 -0.000044 -0.000136 0.000134 -0.000253 0.008445 9C 2s -0.000001 -0.000131 -0.000332 0.000306 -0.000573 0.018882 9C 3s 0.000111 0.000462 0.001107 -0.000481 0.001001 -0.037161 9C 4s -0.000607 -0.001499 -0.002922 -0.000073 0.000648 -0.032346 9C 5s -0.006717 0.025475 0.027593 -0.023341 0.021496 -0.072113 9C 1pz -0.001941 0.002295 0.001031 -0.001982 0.002954 0.040286 9C 1px 0.000058 -0.006416 -0.004959 0.006742 -0.010717 0.012375 9C 1py 0.002943 -0.000911 -0.001594 0.001521 -0.002306 0.026060 9C 2pz 0.001428 0.002734 0.002287 -0.001541 0.002368 0.034936 9C 2px -0.000330 -0.007612 -0.005380 0.006800 -0.008540 0.010306 9C 2py -0.001250 -0.000899 -0.001383 0.001218 -0.001929 0.022213 9C 3pz -0.016541 -0.000092 -0.001327 0.004275 -0.002236 0.008907 9C 3px 0.007195 -0.007852 -0.006988 -0.000681 0.002912 0.032854 9C 3py 0.025361 -0.002831 -0.004305 0.003961 -0.000917 0.006524 9C 1dz2 -0.000069 0.000079 0.000093 -0.000691 0.001232 -0.000383 9C 1dxz 0.000163 -0.000293 -0.000233 0.001638 -0.002899 -0.000516 9C 1dyz 0.000129 0.000181 0.000116 -0.000504 0.000923 -0.000186 9C 1dx2y2 0.000259 0.000240 0.000149 -0.000597 0.001064 0.000676 9C 1dxy -0.000329 -0.000171 -0.000093 0.001026 -0.001817 0.000081 9C 2dz2 0.000063 -0.000976 -0.000744 -0.002139 0.004041 0.000604 9C 2dxz 0.000598 0.001439 0.001053 0.004416 -0.008166 -0.000798 9C 2dyz 0.000538 -0.000598 -0.000739 -0.001045 0.001302 0.000922 9C 2dx2y2 0.001232 -0.000046 0.000118 -0.001313 0.001589 0.002021 9C 2dxy -0.002182 0.000933 0.000438 0.002887 -0.005810 0.000920 9C 1f0 -0.000025 0.000111 0.000029 0.000553 -0.000968 -0.000022 9C 1f+1 -0.000021 -0.000027 0.000042 -0.000360 0.000723 0.000338 9C 1f-1 -0.000029 -0.000055 0.000007 0.000175 -0.000332 0.000104 9C 1f+2 -0.000054 -0.000106 -0.000098 -0.000202 0.000361 -0.000009 9C 1f-2 0.000062 -0.000085 -0.000050 -0.000662 0.001224 -0.000290 9C 1f+3 0.000023 -0.000008 -0.000047 -0.000219 0.000394 0.000334 9C 1f-3 0.000044 0.000022 0.000021 0.000276 -0.000479 0.000366 10H 1s -0.000130 0.003152 0.002211 0.007949 -0.013749 0.003531 10H 2s 0.000112 0.006749 0.004749 0.011885 -0.023265 0.003446 10H 3s -0.011473 -0.006603 -0.006964 0.020765 -0.037760 0.077545 10H 1pz -0.000144 -0.000048 -0.000023 -0.000594 0.000867 -0.002039 10H 1px -0.000293 -0.000632 -0.000504 -0.000213 0.000436 0.001012 10H 1py 0.000170 -0.000206 -0.000060 -0.000423 0.000637 -0.000861 11H 1s 0.000223 -0.001062 -0.000802 -0.002869 0.005032 0.002741 11H 2s 0.002005 -0.004000 -0.003504 -0.005233 0.010100 -0.000401 11H 3s -0.019555 -0.002785 -0.003291 -0.012599 0.019835 0.033648 11H 1pz 0.000045 -0.000171 -0.000166 0.000138 -0.000108 -0.002144 11H 1px 0.000498 -0.000145 -0.000094 0.000126 -0.000061 -0.001288 11H 1py -0.000365 0.000194 0.000201 0.000176 -0.000273 -0.000898 12H 1s -0.000105 -0.001972 -0.001604 -0.005254 0.009059 0.002530 12H 2s -0.002539 -0.006414 -0.004446 -0.009472 0.016505 0.000119 12H 3s 0.029160 -0.002547 -0.002282 -0.016667 0.031436 0.042696 12H 1pz 0.000594 0.000206 0.000226 0.000390 -0.000547 -0.001428 12H 1px -0.000401 -0.000185 -0.000107 0.000079 -0.000058 -0.001272 12H 1py -0.000567 -0.000384 -0.000159 0.000138 -0.000241 -0.001664 13H 1s 0.000182 0.002271 -0.003033 0.007948 0.013313 -0.003545 13H 2s 0.000049 0.004997 -0.006983 0.013479 0.023114 -0.003854 13H 3s 0.015952 -0.004279 0.004553 0.020262 0.037692 -0.075438 13H 1pz -0.000271 0.000190 -0.000188 -0.000219 -0.000338 0.001392 13H 1px 0.000273 -0.000448 0.000635 -0.000417 -0.000621 -0.000638 13H 1py -0.000227 0.000141 -0.000140 0.000576 0.000824 -0.001854 14H 1s 0.000047 -0.001754 0.002228 -0.006095 -0.010125 -0.002803 14H 2s 0.002259 -0.004732 0.006684 -0.009873 -0.018696 -0.000044 14H 3s -0.029986 -0.000298 0.000468 -0.017831 -0.032140 -0.050515 14H 1pz 0.000243 -0.000052 0.000146 0.000232 0.000304 0.000924 14H 1px 0.000668 -0.000264 0.000435 0.000082 0.000026 0.001971 14H 1py 0.000528 -0.000227 0.000217 -0.000440 -0.000648 -0.001478 15H 1s -0.000297 -0.000501 0.000548 -0.002064 -0.003383 -0.002485 15H 2s -0.002334 -0.002698 0.002707 -0.003870 -0.006514 0.001393 15H 3s 0.013649 -0.001596 0.000339 -0.006153 -0.014796 -0.027357 15H 1pz 0.000474 0.000147 -0.000157 0.000116 0.000071 0.000459 15H 1px -0.000256 0.000071 -0.000014 0.000114 0.000153 0.001147 15H 1py 0.000185 0.000213 -0.000217 -0.000050 -0.000104 -0.002334 16H 1s -0.000095 -0.008775 -0.005900 0.006844 0.000042 0.000031 16H 2s -0.001809 -0.014357 -0.011288 0.008267 0.007006 0.003598 16H 3s -0.000226 -0.015747 -0.006493 0.044388 0.006843 0.006704 16H 1pz -0.000172 0.000183 -0.000979 -0.002247 0.000429 0.000186 16H 1px 0.000099 -0.001105 -0.000072 0.004069 -0.000708 -0.000451 16H 1py -0.000105 -0.000460 0.001587 0.000662 -0.000094 -0.000041 17H 1s -0.000118 0.008198 -0.006809 0.007157 -0.000134 -0.000019 17H 2s -0.002892 0.013596 -0.012658 0.008586 -0.005228 -0.003319 17H 3s -0.001131 0.013728 -0.007662 0.044785 -0.006839 -0.005580 17H 1pz 0.000057 -0.000431 0.001064 -0.000836 -0.000054 -0.000010 17H 1px 0.000371 0.001077 0.000538 0.004657 0.000607 0.000426 17H 1py -0.000141 0.000701 0.001464 0.000523 0.000160 0.000085 18H 1s 0.000103 0.008358 -0.006616 -0.007089 0.000119 -0.000019 18H 2s 0.002987 0.013793 -0.012375 -0.008482 0.004985 -0.003098 18H 3s 0.001152 0.013871 -0.007336 -0.044394 0.006651 -0.005332 18H 1pz 0.000064 0.000475 -0.001035 -0.000831 -0.000049 0.000007 18H 1px 0.000389 -0.001074 -0.000552 0.004628 0.000587 -0.000400 18H 1py -0.000149 -0.000667 -0.001504 0.000541 0.000178 -0.000092 19H 1s 0.000052 -0.008608 -0.006095 -0.006808 -0.000053 0.000033 19H 2s 0.001569 -0.014098 -0.011615 -0.008269 -0.007213 0.003610 19H 3s 0.000120 -0.015583 -0.006783 -0.044165 -0.006955 0.006639 19H 1pz -0.000145 -0.000215 0.001014 -0.002223 0.000436 -0.000188 19H 1px 0.000084 0.001084 0.000106 0.004057 -0.000724 0.000451 19H 1py -0.000107 0.000504 -0.001542 0.000648 -0.000073 0.000033 20H 1s 0.000360 -0.000519 0.000564 0.002132 0.003526 -0.002447 20H 2s 0.002505 -0.002783 0.002787 0.003990 0.006760 0.001463 20H 3s -0.013851 -0.001630 0.000477 0.006470 0.015490 -0.027435 20H 1pz 0.000488 -0.000153 0.000162 0.000118 0.000084 -0.000454 20H 1px -0.000261 -0.000067 0.000011 0.000114 0.000163 -0.001159 20H 1py 0.000190 -0.000216 0.000218 -0.000053 -0.000129 0.002329 21H 1s -0.000092 -0.001745 0.002206 0.006052 0.010077 -0.002687 21H 2s -0.002337 -0.004728 0.006685 0.009814 0.018615 0.000188 21H 3s 0.029935 -0.000475 0.000467 0.017841 0.032430 -0.049681 21H 1pz 0.000244 0.000055 -0.000153 0.000228 0.000304 -0.000929 21H 1px 0.000669 0.000260 -0.000435 0.000084 0.000042 -0.001968 21H 1py 0.000530 0.000225 -0.000218 -0.000434 -0.000659 0.001474 22H 1s -0.000198 0.002273 -0.003023 -0.007966 -0.013302 -0.003693 22H 2s -0.000099 0.004987 -0.006942 -0.013501 -0.023084 -0.004155 22H 3s -0.015584 -0.004311 0.004733 -0.020099 -0.037037 -0.076281 22H 1pz -0.000269 -0.000187 0.000185 -0.000221 -0.000330 -0.001395 22H 1px 0.000263 0.000450 -0.000637 -0.000423 -0.000626 0.000637 22H 1py -0.000228 -0.000139 0.000140 0.000578 0.000807 0.001861 23H 1s 0.000146 -0.001942 -0.001587 0.005163 -0.008936 0.002489 23H 2s 0.002630 -0.006411 -0.004455 0.009334 -0.016283 -0.000014 23H 3s -0.028913 -0.002568 -0.002237 0.016508 -0.031574 0.041837 23H 1pz 0.000593 -0.000203 -0.000224 0.000376 -0.000549 0.001428 23H 1px -0.000397 0.000179 0.000106 0.000080 -0.000074 0.001257 23H 1py -0.000571 0.000392 0.000164 0.000133 -0.000252 0.001678 24H 1s -0.000283 -0.001094 -0.000830 0.002974 -0.005253 0.002627 24H 2s -0.002196 -0.004113 -0.003607 0.005424 -0.010465 -0.000597 24H 3s 0.020020 -0.002901 -0.003437 0.012868 -0.020803 0.033534 24H 1pz 0.000048 0.000173 0.000168 0.000140 -0.000140 0.002117 24H 1px 0.000516 0.000155 0.000103 0.000122 -0.000067 0.001302 24H 1py -0.000378 -0.000195 -0.000201 0.000181 -0.000292 0.000913 25H 1s 0.000144 0.003171 0.002238 -0.007971 0.013740 0.003684 25H 2s -0.000049 0.006766 0.004798 -0.011922 0.023260 0.003779 25H 3s 0.010618 -0.006662 -0.006998 -0.020788 0.037033 0.078391 25H 1pz -0.000146 0.000047 0.000021 -0.000599 0.000846 0.002039 25H 1px -0.000271 0.000634 0.000509 -0.000216 0.000446 -0.001010 25H 1py 0.000174 0.000213 0.000065 -0.000430 0.000635 0.000871 26O 1s 0.000027 0.002296 0.001518 -0.005278 0.010063 0.007556 26O 2s 0.000061 0.005526 0.003643 -0.012858 0.024523 0.018380 26O 3s 0.000003 -0.008397 -0.005420 0.021553 -0.041106 -0.030787 26O 4s -0.000812 -0.014591 -0.010348 0.029832 -0.057432 -0.042782 26O 5s 0.000146 -0.023665 -0.009505 0.063376 -0.128623 -0.124870 26O 1pz -0.047175 0.050106 0.032449 0.051392 -0.081080 -0.089645 26O 1px -0.028513 -0.048017 -0.037135 -0.009903 0.008825 -0.019820 26O 1py 0.076677 0.005318 0.013408 0.028502 -0.047912 -0.060657 26O 2pz -0.039386 0.044009 0.028531 0.044408 -0.069601 -0.075638 26O 2px -0.023698 -0.036661 -0.028851 -0.010801 0.014117 -0.011732 26O 2py 0.064523 0.007426 0.012847 0.024132 -0.038596 -0.049751 26O 3pz -0.031906 0.026377 0.014882 0.044741 -0.068702 -0.088077 26O 3px -0.017050 -0.027800 -0.026530 -0.011603 0.028988 0.008054 26O 3py 0.051635 -0.003792 0.008532 0.021540 -0.033338 -0.048380 26O 1dz2 0.000532 -0.000876 -0.000548 -0.000327 0.000293 0.000135 26O 1dxz 0.000864 0.000099 0.000206 -0.000946 0.001527 0.001456 26O 1dyz -0.000089 -0.000126 -0.000119 -0.000995 0.001761 0.001535 26O 1dx2y2 0.001143 0.000791 0.000763 0.000366 -0.000305 -0.000234 26O 1dxy -0.000785 0.000979 0.000487 -0.000627 0.001326 0.001304 26O 2dz2 0.003093 -0.001869 -0.002144 -0.001835 0.003154 0.002325 26O 2dxz 0.002906 0.001412 0.001794 -0.002787 0.004589 0.003660 26O 2dyz -0.000939 -0.000398 0.000574 -0.002829 0.005779 0.004885 26O 2dx2y2 0.003832 0.001248 0.001761 0.002531 -0.003133 -0.002317 26O 2dxy -0.002070 0.003521 0.001244 -0.000596 0.002221 0.002174 26O 1f0 0.000716 -0.000182 -0.000286 -0.000304 0.000376 0.000527 26O 1f+1 0.000097 0.000528 0.000454 -0.000058 -0.000034 -0.000042 26O 1f-1 -0.000168 -0.000086 -0.000036 -0.000446 0.000924 0.000921 26O 1f+2 0.000071 0.000059 0.000036 0.000464 -0.000658 -0.000792 26O 1f-2 0.000033 0.000537 0.000302 0.000158 -0.000117 -0.000270 26O 1f+3 0.000568 0.000334 0.000167 0.000144 -0.000139 -0.000290 26O 1f-3 -0.000379 0.000179 0.000088 -0.000249 0.000207 0.000289 27O 1s -0.000089 0.001772 -0.002323 -0.005401 -0.009956 -0.007550 27O 2s -0.000192 0.004279 -0.005592 -0.013139 -0.024253 -0.018356 27O 3s -0.000013 -0.006754 0.008602 0.021888 0.040530 0.030590 27O 4s 0.002315 -0.010647 0.014805 0.032518 0.057593 0.043575 27O 5s -0.009352 -0.012234 0.014929 0.046283 0.123836 0.123032 27O 1pz -0.075944 0.033256 -0.030598 0.034592 0.053438 0.053178 27O 1px -0.015479 -0.032225 0.044555 -0.001048 0.005736 0.035878 27O 1py -0.053785 -0.026036 0.041306 -0.047969 -0.075953 -0.088785 27O 2pz -0.063456 0.028529 -0.026746 0.030711 0.046428 0.045740 27O 2px -0.012822 -0.024326 0.034305 -0.001553 -0.001904 0.024847 27O 2py -0.045409 -0.023943 0.036729 -0.041994 -0.064433 -0.074137 27O 3pz -0.051587 0.021557 -0.013619 0.024972 0.048422 0.053979 27O 3px -0.009133 -0.023196 0.029956 -0.000797 -0.017998 0.005097 27O 3py -0.034992 -0.007750 0.022473 -0.038184 -0.060820 -0.084177 27O 1dz2 0.000367 -0.000507 0.000631 0.000363 0.000865 0.000865 27O 1dxz 0.001238 -0.000297 0.000034 -0.000741 -0.001079 -0.001031 27O 1dyz -0.000459 0.000212 -0.000168 0.000539 0.001014 0.000835 27O 1dx2y2 0.000710 0.000866 -0.001324 0.000394 0.000158 -0.000013 27O 1dxy 0.000703 -0.000395 0.000320 0.001167 0.002007 0.001918 27O 2dz2 0.002304 -0.000939 0.002534 0.000441 0.001087 0.001001 27O 2dxz 0.003870 -0.000631 -0.001195 -0.002413 -0.003956 -0.003302 27O 2dyz -0.002033 0.000494 -0.000752 0.001898 0.003910 0.003358 27O 2dx2y2 0.002916 0.002601 -0.003517 0.001871 0.003684 0.002711 27O 2dxy 0.002177 -0.002553 0.001915 0.003421 0.005838 0.004868 27O 1f0 0.000527 -0.000036 0.000127 0.000088 0.000344 0.000223 27O 1f+1 0.000200 0.000094 -0.000245 -0.000180 -0.000032 -0.000093 27O 1f-1 -0.000448 0.000043 -0.000225 0.000172 0.000262 0.000306 27O 1f+2 -0.000349 0.000260 -0.000349 0.000431 0.000795 0.000933 27O 1f-2 0.000112 -0.000289 0.000412 0.000228 0.000339 0.000348 27O 1f+3 0.000267 0.000500 -0.000547 -0.000210 -0.000170 -0.000080 27O 1f-3 0.000609 0.000217 -0.000252 0.000526 0.000616 0.000833 28O 1s -0.000076 -0.002386 -0.001804 0.005267 -0.010160 0.007510 28O 2s -0.000163 -0.005751 -0.004344 0.012826 -0.024766 0.018234 28O 3s -0.000042 0.008886 0.006643 -0.021588 0.041622 -0.029942 28O 4s 0.002232 0.015191 0.011802 -0.030629 0.057574 -0.046127 28O 5s -0.009111 0.015458 0.010629 -0.045635 0.127571 -0.108567 28O 1pz 0.047659 -0.014665 -0.004339 -0.037963 0.066574 -0.089083 28O 1px 0.029856 -0.062681 -0.043043 -0.026173 0.035583 -0.015176 28O 1py -0.077650 -0.025361 -0.027168 -0.033906 0.056053 -0.058781 28O 2pz 0.040278 -0.015857 -0.006099 -0.033542 0.053549 -0.072025 28O 2px 0.025116 -0.050443 -0.034971 -0.023435 0.036028 -0.017286 28O 2py -0.065292 -0.022892 -0.023538 -0.029763 0.048112 -0.049635 28O 3pz 0.031869 -0.005065 0.001072 -0.028518 0.042491 -0.074543 28O 3px 0.018106 -0.040995 -0.024879 -0.019214 0.050529 -0.039814 28O 3py -0.050277 -0.008938 -0.018725 -0.027541 0.046067 -0.058141 28O 1dz2 -0.001148 0.000123 -0.000156 0.000964 -0.001677 0.001473 28O 1dxz -0.000001 0.001248 0.001000 -0.000225 0.000818 -0.000871 28O 1dyz 0.000864 -0.000016 0.000141 0.001000 -0.001822 0.001585 28O 1dx2y2 -0.000103 -0.000767 -0.000569 -0.000494 0.000410 -0.000322 28O 1dxy -0.000898 0.000322 0.000062 -0.000341 0.000533 -0.000566 28O 2dz2 -0.004557 -0.000861 -0.001129 0.003256 -0.005666 0.004691 28O 2dxz -0.000326 0.003565 0.003596 0.000063 -0.000353 -0.000058 28O 2dyz 0.002918 -0.000617 0.000191 0.003106 -0.006253 0.005162 28O 2dx2y2 -0.001155 -0.002116 -0.000613 -0.001851 0.003380 -0.002742 28O 2dxy -0.002406 0.002135 0.000205 -0.000821 0.001005 -0.001091 28O 1f0 -0.000097 -0.000400 -0.000349 -0.000004 0.000143 -0.000265 28O 1f+1 -0.000699 0.000138 0.000165 0.000491 -0.000568 0.000787 28O 1f-1 -0.000204 -0.000246 -0.000140 0.000284 -0.000667 0.000589 28O 1f+2 -0.000317 0.000327 0.000356 -0.000328 0.000371 -0.000307 28O 1f-2 0.000382 0.000397 0.000291 0.000329 -0.000575 0.000725 28O 1f+3 0.000097 0.000375 0.000159 0.000114 -0.000303 0.000438 28O 1f-3 0.000573 -0.000116 -0.000104 0.000229 -0.000198 0.000332 29O 1s -0.000073 0.000006 -0.001485 0.009820 -0.000055 0.000014 29O 2s -0.000181 0.000017 -0.003616 0.024033 -0.000130 0.000037 29O 3s 0.000278 -0.000065 0.006195 -0.041766 0.000186 -0.000103 29O 4s 0.000054 0.000137 0.006188 -0.053169 0.000658 0.000121 29O 5s 0.004406 -0.000100 0.019096 -0.083433 -0.001514 -0.000819 29O 1pz 0.000075 0.014355 -0.003618 -0.028449 0.002810 0.001615 29O 1px 0.000307 0.007596 0.018122 0.083480 0.000317 0.000595 29O 1py 0.000423 0.001133 0.042278 0.024132 -0.000168 0.000077 29O 2pz 0.000031 0.012911 -0.003162 -0.023766 0.002808 0.001365 29O 2px 0.000471 0.006498 0.015007 0.069683 0.000328 0.000532 29O 2py 0.000005 0.000870 0.034699 0.019354 -0.000152 0.000170 29O 3pz 0.000246 -0.004051 -0.005186 -0.025856 0.010025 0.006514 29O 3px 0.000863 0.001753 0.020664 0.077827 0.002958 0.002414 29O 3py -0.001283 0.001841 0.024695 0.026419 -0.000079 -0.000831 29O 1dz2 -0.000009 -0.000599 -0.000044 -0.000465 0.000046 0.000020 29O 1dxz -0.000018 0.000669 -0.000178 -0.000906 -0.000013 -0.000016 29O 1dyz 0.000005 -0.000511 -0.000224 0.000074 0.000089 0.000049 29O 1dx2y2 0.000010 0.000284 0.000419 0.001440 -0.000016 0.000000 29O 1dxy 0.000022 -0.000236 0.000667 -0.000288 0.000040 0.000020 29O 2dz2 -0.000422 -0.003004 0.000233 -0.001636 -0.000128 -0.000033 29O 2dxz -0.000094 0.003932 -0.000103 -0.004167 0.000414 0.000273 29O 2dyz 0.000182 -0.000729 -0.001465 0.000529 0.000113 0.000157 29O 2dx2y2 -0.000424 0.001676 0.000774 0.006475 0.000242 0.000184 29O 2dxy -0.000112 -0.000547 0.003942 -0.002080 0.000117 0.000102 29O 1f0 -0.000076 0.000183 -0.000051 -0.000556 0.000090 0.000056 29O 1f+1 0.000068 0.000431 0.000171 0.000526 0.000040 0.000030 29O 1f-1 0.000010 0.000231 0.000399 0.000323 0.000082 0.000052 29O 1f+2 0.000030 -0.000266 -0.000088 0.000430 -0.000022 -0.000007 29O 1f-2 -0.000052 -0.000318 0.000403 0.000501 -0.000132 -0.000090 29O 1f+3 -0.000050 0.000174 -0.000488 0.000165 0.000038 0.000029 29O 1f-3 -0.000007 0.000150 0.000371 0.000771 0.000072 0.000060 30O 1s 0.000101 -0.001801 0.002100 0.005450 0.010090 -0.007525 30O 2s 0.000244 -0.004330 0.005050 0.013287 0.024586 -0.018271 30O 3s -0.000314 0.006486 -0.007615 -0.022460 -0.041222 0.030053 30O 4s -0.001142 0.011910 -0.013987 -0.029887 -0.057380 0.045774 30O 5s -0.001204 0.018387 -0.013833 -0.064632 -0.127901 0.111784 30O 1pz 0.078371 -0.006167 -0.003246 -0.023399 -0.039397 0.054186 30O 1px 0.014997 -0.051679 0.063206 -0.036374 -0.050088 0.031404 30O 1py 0.053654 0.010158 -0.022495 0.042318 0.069096 -0.088544 30O 2pz 0.066157 -0.007333 -0.000123 -0.019120 -0.030973 0.043678 30O 2px 0.012459 -0.041656 0.051426 -0.033199 -0.048467 0.031059 30O 2py 0.044736 0.011364 -0.021664 0.035997 0.056341 -0.071956 30O 3pz 0.051983 -0.006076 -0.007338 -0.020185 -0.022003 0.039939 30O 3px 0.008062 -0.030116 0.039444 -0.034408 -0.061022 0.053973 30O 3py 0.034116 0.000449 -0.012133 0.034076 0.049138 -0.078196 30O 1dz2 -0.001361 0.000300 -0.000018 0.000117 0.000000 -0.000030 30O 1dxz 0.000418 0.000662 -0.000959 0.000120 -0.000111 0.000193 30O 1dyz 0.000393 0.000292 -0.000416 -0.001207 -0.002174 0.001950 30O 1dx2y2 -0.000557 -0.000238 0.000418 -0.001057 -0.001565 0.001392 30O 1dxy 0.000648 -0.000900 0.000932 -0.000006 0.000239 -0.000357 30O 2dz2 -0.004970 0.000383 0.000356 0.000671 0.000591 -0.000554 30O 2dxz 0.000697 0.000694 -0.003127 0.001357 0.001753 -0.001270 30O 2dyz 0.001840 0.001303 -0.001702 -0.002680 -0.005991 0.005076 30O 2dx2y2 -0.002612 0.000014 -0.000256 -0.004060 -0.006225 0.005165 30O 2dxy 0.001329 -0.003095 0.002532 -0.001192 -0.001788 0.001205 30O 1f0 0.000061 -0.000067 0.000195 -0.000176 -0.000510 0.000508 30O 1f+1 -0.000761 -0.000072 0.000000 0.000200 0.000171 -0.000268 30O 1f-1 0.000065 0.000192 -0.000201 0.000077 0.000060 -0.000161 30O 1f+2 0.000088 0.000292 -0.000473 -0.000020 -0.000208 -0.000000 30O 1f-2 0.000308 -0.000044 0.000147 -0.000514 -0.000766 0.000858 30O 1f+3 0.000446 0.000274 -0.000179 0.000556 0.000772 -0.001001 30O 1f-3 -0.000383 0.000462 -0.000567 -0.000039 0.000056 -0.000127 31O 1s -0.000090 -0.001806 0.002111 -0.005436 -0.010012 -0.007637 31O 2s -0.000217 -0.004342 0.005075 -0.013252 -0.024397 -0.018546 31O 3s 0.000275 0.006503 -0.007650 0.022405 0.040916 0.030515 31O 4s 0.001066 0.011934 -0.014055 0.029779 0.056878 0.046412 31O 5s 0.001209 0.018588 -0.014082 0.064350 0.126877 0.113435 31O 1pz 0.078569 0.005917 0.003058 -0.023333 -0.038760 -0.054569 31O 1px 0.014965 0.051659 -0.063203 -0.036273 -0.049734 -0.031912 31O 1py 0.053769 -0.010271 0.022233 0.042249 0.068150 0.089302 31O 2pz 0.066351 0.007129 -0.000040 -0.019092 -0.030453 -0.043951 31O 2px 0.012436 0.041630 -0.051403 -0.033071 -0.048122 -0.031566 31O 2py 0.044838 -0.011465 0.021462 0.035977 0.055576 0.072565 31O 3pz 0.052053 0.005957 0.007127 -0.020155 -0.021582 -0.040179 31O 3px 0.008014 0.029995 -0.039361 -0.034284 -0.060486 -0.054758 31O 3py 0.034112 -0.000573 0.011975 0.033881 0.048356 0.078757 31O 1dz2 0.001369 0.000297 -0.000023 -0.000118 0.000002 -0.000028 31O 1dxz -0.000423 0.000664 -0.000960 -0.000121 0.000108 0.000194 31O 1dyz -0.000397 0.000294 -0.000417 0.001208 0.002154 0.001974 31O 1dx2y2 0.000559 -0.000240 0.000414 0.001058 0.001551 0.001409 31O 1dxy -0.000651 -0.000899 0.000937 0.000003 -0.000234 -0.000359 31O 2dz2 0.005005 0.000372 0.000343 -0.000668 -0.000578 -0.000559 31O 2dxz -0.000708 0.000693 -0.003122 -0.001347 -0.001746 -0.001299 31O 2dyz -0.001852 0.001303 -0.001693 0.002690 0.005937 0.005130 31O 2dx2y2 0.002622 0.000012 -0.000277 0.004066 0.006171 0.005239 31O 2dxy -0.001331 -0.003095 0.002533 0.001184 0.001782 0.001231 31O 1f0 0.000061 0.000066 -0.000195 -0.000175 -0.000505 -0.000513 31O 1f+1 -0.000765 0.000074 0.000002 0.000200 0.000167 0.000269 31O 1f-1 0.000066 -0.000192 0.000201 0.000077 0.000060 0.000163 31O 1f+2 0.000090 -0.000291 0.000473 -0.000024 -0.000209 -0.000001 31O 1f-2 0.000309 0.000043 -0.000148 -0.000516 -0.000757 -0.000866 31O 1f+3 0.000447 -0.000276 0.000177 0.000557 0.000762 0.001010 31O 1f-3 -0.000385 -0.000461 0.000569 -0.000044 0.000054 0.000127 32O 1s 0.000065 0.000051 -0.001482 -0.009763 0.000048 0.000009 32O 2s 0.000163 0.000126 -0.003609 -0.023894 0.000113 0.000026 32O 3s -0.000248 -0.000244 0.006178 0.041529 -0.000154 -0.000088 32O 4s -0.000025 -0.000109 0.006172 0.052862 -0.000678 0.000185 32O 5s -0.004282 -0.000394 0.019120 0.083016 0.001978 -0.001027 32O 1pz 0.000092 -0.014398 0.004146 -0.028484 0.002820 -0.001593 32O 1px 0.000225 -0.007237 -0.017946 0.083029 0.000265 -0.000488 32O 1py 0.000244 -0.000468 -0.042334 0.024033 -0.000113 -0.000099 32O 2pz 0.000088 -0.012950 0.003587 -0.023787 0.002823 -0.001348 32O 2px 0.000417 -0.006198 -0.014880 0.069297 0.000274 -0.000440 32O 2py -0.000138 -0.000347 -0.034737 0.019284 -0.000079 -0.000196 32O 3pz 0.000470 0.003953 0.005669 -0.025876 0.010056 -0.006391 32O 3px 0.000833 -0.001407 -0.020474 0.077440 0.002781 -0.002170 32O 3py -0.001380 -0.001090 -0.024743 0.026299 0.000334 0.000563 32O 1dz2 0.000007 -0.000574 -0.000051 0.000471 -0.000043 0.000019 32O 1dxz 0.000020 0.000684 -0.000172 0.000886 0.000013 -0.000016 32O 1dyz -0.000009 -0.000516 -0.000224 -0.000082 -0.000091 0.000049 32O 1dx2y2 -0.000007 0.000288 0.000421 -0.001435 0.000021 -0.000003 32O 1dxy -0.000020 -0.000230 0.000667 0.000283 -0.000038 0.000018 32O 2dz2 0.000422 -0.002946 0.000218 0.001689 0.000098 -0.000011 32O 2dxz 0.000088 0.003977 -0.000084 0.004074 -0.000419 0.000271 32O 2dyz -0.000164 -0.000740 -0.001443 -0.000558 -0.000104 0.000153 32O 2dx2y2 0.000421 0.001664 0.000779 -0.006491 -0.000271 0.000191 32O 2dxy 0.000135 -0.000538 0.003933 0.002055 -0.000143 0.000118 32O 1f0 -0.000073 -0.000176 0.000067 -0.000564 0.000091 -0.000056 32O 1f+1 0.000070 -0.000433 -0.000163 0.000511 0.000038 -0.000027 32O 1f-1 0.000008 -0.000223 -0.000403 0.000316 0.000086 -0.000052 32O 1f+2 0.000031 0.000266 0.000101 0.000426 -0.000023 0.000008 32O 1f-2 -0.000053 0.000324 -0.000406 0.000513 -0.000130 0.000086 32O 1f+3 -0.000048 -0.000172 0.000483 0.000162 0.000037 -0.000027 32O 1f-3 -0.000008 -0.000151 -0.000367 0.000760 0.000074 -0.000059 33O 1s 0.000063 -0.002389 -0.001803 -0.005267 0.010086 0.007611 33O 2s 0.000133 -0.005758 -0.004339 -0.012827 0.024585 0.018479 33O 3s 0.000081 0.008890 0.006629 0.021589 -0.041330 -0.030343 33O 4s -0.002103 0.015245 0.011825 0.030627 -0.057089 -0.046770 33O 5s 0.008919 0.015323 0.010407 0.045234 -0.126587 -0.109582 33O 1pz 0.047986 0.014670 0.004296 -0.038017 0.065616 0.089524 33O 1px 0.030207 0.062729 0.043086 -0.026045 0.035397 0.015335 33O 1py -0.077584 0.025757 0.027646 -0.033868 0.055405 0.059617 33O 2pz 0.040576 0.015859 0.006062 -0.033644 0.052777 0.072371 33O 2px 0.025406 0.050483 0.035011 -0.023273 0.035835 0.017496 33O 2py -0.065250 0.023231 0.023943 -0.029751 0.047567 0.050326 33O 3pz 0.032038 0.005164 -0.001050 -0.028471 0.041781 0.074777 33O 3px 0.018280 0.041027 0.024949 -0.019051 0.050127 0.040139 33O 3py -0.050114 0.009221 0.019082 -0.027352 0.045419 0.058994 33O 1dz2 0.001156 0.000122 -0.000159 -0.000967 0.001660 0.001492 33O 1dxz 0.000005 0.001249 0.001002 0.000230 -0.000811 -0.000882 33O 1dyz -0.000866 -0.000012 0.000146 -0.001002 0.001807 0.001601 33O 1dx2y2 0.000100 -0.000770 -0.000572 0.000494 -0.000408 -0.000326 33O 1dxy 0.000905 0.000320 0.000058 0.000345 -0.000528 -0.000569 33O 2dz2 0.004571 -0.000868 -0.001139 -0.003265 0.005606 0.004758 33O 2dxz 0.000343 0.003569 0.003604 -0.000024 0.000346 -0.000057 33O 2dyz -0.002932 -0.000608 0.000201 -0.003120 0.006200 0.005212 33O 2dx2y2 0.001154 -0.002126 -0.000623 0.001847 -0.003362 -0.002779 33O 2dxy 0.002432 0.002133 0.000197 0.000830 -0.000989 -0.001090 33O 1f0 -0.000095 0.000401 0.000351 0.000000 0.000140 0.000265 33O 1f+1 -0.000704 -0.000138 -0.000164 0.000493 -0.000559 -0.000794 33O 1f-1 -0.000202 0.000248 0.000141 0.000288 -0.000660 -0.000596 33O 1f+2 -0.000318 -0.000328 -0.000356 -0.000334 0.000369 0.000311 33O 1f-2 0.000381 -0.000399 -0.000293 0.000329 -0.000566 -0.000729 33O 1f+3 0.000096 -0.000377 -0.000161 0.000113 -0.000299 -0.000442 33O 1f-3 0.000578 0.000115 0.000102 0.000231 -0.000194 -0.000332 34O 1s 0.000079 0.001771 -0.002325 0.005415 0.010028 -0.007445 34O 2s 0.000168 0.004276 -0.005598 0.013171 0.024428 -0.018102 34O 3s 0.000049 -0.006747 0.008611 -0.021927 -0.040818 0.030180 34O 4s -0.002242 -0.010654 0.014835 -0.032669 -0.058031 0.042863 34O 5s 0.009394 -0.012193 0.014789 -0.046350 -0.125037 0.122211 34O 1pz -0.075922 -0.033105 0.030783 0.034714 0.053975 -0.052642 34O 1px -0.015595 0.032245 -0.044460 -0.001123 0.006103 -0.035830 34O 1py -0.053839 0.026192 -0.041060 -0.048152 -0.076964 0.088052 34O 2pz -0.063431 -0.028395 0.026906 0.030824 0.046891 -0.045266 34O 2px -0.012921 0.024350 -0.034235 -0.001626 -0.001673 -0.024868 34O 2py -0.045445 0.024079 -0.036520 -0.042166 -0.065269 0.073515 34O 3pz -0.051642 -0.021502 0.013727 0.025076 0.048969 -0.053538 34O 3px -0.009230 0.023169 -0.029957 -0.000962 -0.017914 -0.005271 34O 3py -0.035029 0.007840 -0.022302 -0.038131 -0.061722 0.083536 34O 1dz2 -0.000363 -0.000506 0.000631 -0.000361 -0.000874 0.000856 34O 1dxz -0.001235 -0.000294 0.000038 0.000741 0.001089 -0.001019 34O 1dyz 0.000458 0.000211 -0.000169 -0.000540 -0.001022 0.000823 34O 1dx2y2 -0.000709 0.000867 -0.001320 -0.000396 -0.000157 -0.000014 34O 1dxy -0.000699 -0.000392 0.000323 -0.001166 -0.002028 0.001898 34O 2dz2 -0.002286 -0.000935 0.002548 -0.000434 -0.001094 0.000989 34O 2dxz -0.003857 -0.000621 -0.001182 0.002408 0.003992 -0.003254 34O 2dyz 0.002016 0.000486 -0.000754 -0.001895 -0.003943 0.003307 34O 2dx2y2 -0.002907 0.002605 -0.003501 -0.001882 -0.003714 0.002667 34O 2dxy -0.002169 -0.002546 0.001926 -0.003401 -0.005884 0.004799 34O 1f0 0.000524 0.000035 -0.000128 0.000086 0.000346 -0.000219 34O 1f+1 0.000200 -0.000094 0.000244 -0.000177 -0.000033 0.000093 34O 1f-1 -0.000446 -0.000042 0.000227 0.000172 0.000264 -0.000302 34O 1f+2 -0.000347 -0.000259 0.000349 0.000432 0.000806 -0.000923 34O 1f-2 0.000112 0.000289 -0.000412 0.000225 0.000342 -0.000344 34O 1f+3 0.000267 -0.000500 0.000547 -0.000205 -0.000170 0.000078 34O 1f-3 0.000606 -0.000218 0.000249 0.000525 0.000625 -0.000827 35O 1s -0.000017 0.002298 0.001517 0.005278 -0.010136 0.007450 35O 2s -0.000038 0.005531 0.003642 0.012855 -0.024700 0.018122 35O 3s -0.000030 -0.008406 -0.005420 -0.021536 0.041398 -0.030361 35O 4s 0.000691 -0.014600 -0.010322 -0.029894 0.057857 -0.042120 35O 5s 0.000083 -0.023729 -0.009638 -0.063245 0.129852 -0.123760 35O 1pz -0.047610 -0.049874 -0.032209 0.051411 -0.082102 0.088712 35O 1px -0.028319 0.048152 0.037321 -0.010007 0.008635 0.019742 35O 1py 0.076543 -0.005537 -0.013726 0.028475 -0.048592 0.060591 35O 2pz -0.039748 -0.043825 -0.028342 0.044443 -0.070462 0.074857 35O 2px -0.023543 0.036780 0.029004 -0.010882 0.014017 0.011745 35O 2py 0.064391 -0.007615 -0.013123 0.024121 -0.039151 0.049698 35O 3pz -0.032197 -0.026106 -0.014610 0.044563 -0.069678 0.087110 35O 3px -0.016946 0.027846 0.026628 -0.011769 0.029047 -0.007958 35O 3py 0.051597 0.003683 -0.008677 0.021312 -0.033829 0.048484 35O 1dz2 -0.000534 -0.000872 -0.000545 0.000327 -0.000291 0.000132 35O 1dxz -0.000863 0.000101 0.000209 0.000942 -0.001541 0.001443 35O 1dyz 0.000085 -0.000126 -0.000118 0.000993 -0.001778 0.001517 35O 1dx2y2 -0.001134 0.000793 0.000767 -0.000368 0.000310 -0.000229 35O 1dxy 0.000784 0.000977 0.000485 0.000624 -0.001341 0.001288 35O 2dz2 -0.003088 -0.001859 -0.002127 0.001828 -0.003162 0.002294 35O 2dxz -0.002881 0.001412 0.001799 0.002765 -0.004621 0.003616 35O 2dyz 0.000927 -0.000399 0.000567 0.002820 -0.005832 0.004822 35O 2dx2y2 -0.003808 0.001252 0.001771 -0.002537 0.003169 -0.002273 35O 2dxy 0.002074 0.003516 0.001235 0.000578 -0.002240 0.002140 35O 1f0 0.000715 0.000179 0.000282 -0.000303 0.000380 -0.000524 35O 1f+1 0.000092 -0.000526 -0.000453 -0.000054 -0.000035 0.000041 35O 1f-1 -0.000167 0.000086 0.000036 -0.000442 0.000933 -0.000912 35O 1f+2 0.000070 -0.000058 -0.000036 0.000461 -0.000668 0.000786 35O 1f-2 0.000030 -0.000536 -0.000301 0.000160 -0.000122 0.000270 35O 1f+3 0.000566 -0.000334 -0.000169 0.000146 -0.000144 0.000288 35O 1f-3 -0.000377 -0.000179 -0.000087 -0.000246 0.000210 -0.000287 120 121 122 123 124 125 -0.01600 -0.01564 -0.00964 -0.00348 0.00814 0.02045 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s -0.000015 -0.000012 0.000035 0.000136 0.001869 -0.002367 0Rh 2s 0.000036 0.000035 -0.000120 -0.000529 -0.007454 0.007077 0Rh 3s -0.000065 -0.000048 0.000128 0.000460 0.006228 -0.009360 0Rh 4s -0.000148 -0.000147 0.000514 0.002296 0.032498 -0.029752 0Rh 5s -0.000036 0.000018 -0.000328 -0.001901 -0.028984 0.008153 0Rh 6s 0.000790 0.000668 -0.001090 -0.003552 -0.041064 0.107238 0Rh 7s -0.004685 0.002768 0.003102 -0.026277 -0.569228 -0.068167 0Rh 8s 0.002724 -0.045224 -0.006357 0.076903 1.400143 -1.782703 0Rh 1pz 0.004150 0.001833 0.000054 0.000079 0.000661 -0.001173 0Rh 1px 0.001664 -0.000181 -0.000044 -0.000162 -0.001762 0.003740 0Rh 1py -0.001655 0.004332 -0.000024 -0.000086 -0.000377 0.000739 0Rh 2pz -0.014167 -0.006258 -0.000177 -0.000267 -0.002119 0.003889 0Rh 2px -0.005678 0.000624 0.000142 0.000537 0.005519 -0.012403 0Rh 2py 0.005650 -0.014785 0.000078 0.000286 0.001201 -0.002479 0Rh 3pz 0.012246 0.005435 0.000036 0.000189 -0.000721 -0.001174 0Rh 3px 0.004835 -0.000635 0.000010 -0.000148 0.004391 0.003816 0Rh 3py -0.004886 0.012724 -0.000001 -0.000111 0.000570 0.001327 0Rh 4pz 0.017114 0.007446 0.000648 0.000460 0.011755 -0.012973 0Rh 4px 0.007152 -0.000422 -0.000624 -0.001769 -0.039806 0.041118 0Rh 4py -0.006802 0.018098 -0.000343 -0.000830 -0.007272 0.006155 0Rh 5pz 0.006859 0.003275 -0.000767 -0.000009 -0.014537 0.015595 0Rh 5px 0.002016 -0.000784 0.000542 0.001483 0.053393 -0.048819 0Rh 5py -0.002866 0.006590 0.000583 0.000740 0.009269 -0.005901 0Rh 6pz -0.151729 -0.065768 0.002484 -0.002720 0.068099 -0.222404 0Rh 6px -0.049271 0.012159 -0.001211 0.000151 -0.141155 0.668502 0Rh 6py 0.059016 -0.149580 -0.009292 -0.000291 -0.009910 0.099898 0Rh 1dz2 0.002286 -0.000011 0.035045 -0.000387 -0.007445 0.006221 0Rh 1dxz -0.001086 -0.000455 0.015888 -0.000586 -0.008690 0.008398 0Rh 1dyz -0.000980 0.000344 -0.017197 0.000398 -0.001890 0.002057 0Rh 1dx2y2 -0.000034 0.000523 0.025189 0.000046 0.013475 -0.013636 0Rh 1dxy 0.000116 -0.002021 0.003019 0.000445 0.006531 -0.006232 0Rh 2dz2 -0.000137 0.000010 -0.001344 0.000015 0.000337 -0.000463 0Rh 2dxz 0.000072 0.000021 -0.000622 0.000022 0.000426 -0.000605 0Rh 2dyz 0.000042 -0.000027 0.000654 -0.000013 0.000093 -0.000142 0Rh 2dx2y2 0.000004 -0.000036 -0.000979 -0.000003 -0.000636 0.000946 0Rh 2dxy -0.000001 0.000121 -0.000112 -0.000027 -0.000314 0.000434 0Rh 3dz2 -0.003280 -0.000020 -0.053572 0.000590 0.011122 -0.008548 0Rh 3dxz 0.001527 0.000676 -0.024302 0.000893 0.012868 -0.011651 0Rh 3dyz 0.001475 -0.000472 0.026325 -0.000616 0.002795 -0.002888 0Rh 3dx2y2 0.000029 -0.000732 -0.038436 -0.000056 -0.019998 0.019020 0Rh 3dxy -0.000185 0.002897 -0.004640 -0.000637 -0.009719 0.008735 0Rh 4dz2 -0.005100 0.000116 -0.068795 0.000769 0.015002 -0.015060 0Rh 4dxz 0.002504 0.000936 -0.031113 0.001136 0.017809 -0.020048 0Rh 4dyz 0.001973 -0.000819 0.033690 -0.000737 0.003900 -0.004824 0Rh 4dx2y2 0.000132 -0.001218 -0.049618 -0.000102 -0.027475 0.032226 0Rh 4dxy -0.000206 0.004517 -0.005857 -0.000988 -0.013337 0.014597 0Rh 5dz2 -0.000190 -0.000404 -0.041269 0.000400 0.010396 0.004496 0Rh 5dxz -0.000274 0.000368 -0.018982 0.000972 0.011289 0.004594 0Rh 5dyz 0.000932 -0.000269 0.020599 -0.000871 0.001943 0.001380 0Rh 5dx2y2 -0.000462 0.000223 -0.029319 -0.000342 -0.018357 -0.005963 0Rh 5dxy -0.000207 -0.000302 -0.003582 -0.000211 -0.007854 -0.002490 0Rh 1f0 -0.004761 0.002477 -0.000632 -0.000145 -0.000164 0.000868 0Rh 1f+1 -0.002359 -0.000151 0.000508 0.000013 0.000120 -0.000625 0Rh 1f-1 0.002747 0.006195 0.000322 -0.000083 0.000077 -0.000179 0Rh 1f+2 -0.004600 0.001208 0.000136 0.000026 0.000164 -0.000928 0Rh 1f-2 -0.000432 0.003088 -0.000281 -0.000044 -0.000016 -0.000221 0Rh 1f+3 0.001972 0.000474 -0.000625 0.000099 0.000156 -0.001050 0Rh 1f-3 -0.000174 -0.002328 -0.000259 0.000130 -0.000082 -0.000462 1Rh 1s 0.000026 0.000006 0.000034 0.000137 0.001858 0.002381 1Rh 2s -0.000075 -0.000012 -0.000118 -0.000534 -0.007422 -0.007131 1Rh 3s 0.000103 0.000027 0.000125 0.000464 0.006184 0.009407 1Rh 4s 0.000315 0.000045 0.000508 0.002317 0.032367 0.029986 1Rh 5s -0.000079 0.000062 -0.000330 -0.001920 -0.028957 -0.008349 1Rh 6s -0.001135 -0.000493 -0.001052 -0.003583 -0.040561 -0.107584 1Rh 7s 0.005348 -0.002271 0.002999 -0.026273 -0.569954 0.065066 1Rh 8s -0.002820 0.043072 -0.006373 0.077261 1.392351 1.790807 1Rh 1pz 0.004148 0.001833 -0.000098 -0.000077 -0.000661 -0.001169 1Rh 1px 0.001672 -0.000188 0.000021 0.000160 0.001749 0.003722 1Rh 1py -0.001651 0.004332 0.000064 0.000125 0.000381 0.000737 1Rh 2pz -0.014161 -0.006259 0.000328 0.000260 0.002118 0.003875 1Rh 2px -0.005703 0.000646 -0.000065 -0.000528 -0.005478 -0.012338 1Rh 2py 0.005636 -0.014788 -0.000216 -0.000420 -0.001215 -0.002474 1Rh 3pz 0.012239 0.005437 -0.000170 -0.000183 0.000713 -0.001156 1Rh 3px 0.004855 -0.000649 -0.000078 0.000139 -0.004390 0.003714 1Rh 3py -0.004875 0.012725 0.000123 0.000226 -0.000549 0.001313 1Rh 4pz 0.017114 0.007443 -0.000820 -0.000452 -0.011724 -0.012975 1Rh 4px 0.007184 -0.000467 0.000536 0.001765 0.039620 0.041206 1Rh 4py -0.006776 0.018107 0.000505 0.001001 0.007258 0.006185 1Rh 5pz 0.006832 0.003293 0.000671 -0.000002 0.014474 0.015616 1Rh 5px 0.002040 -0.000769 -0.000587 -0.001503 -0.053139 -0.049111 1Rh 5py -0.002883 0.006582 -0.000512 -0.000700 -0.009199 -0.005967 1Rh 6pz -0.151320 -0.065852 -0.000670 0.002797 -0.066947 -0.221433 1Rh 6px -0.049479 0.012304 0.002037 0.000072 0.137638 0.669788 1Rh 6py 0.059428 -0.149446 0.007695 -0.000999 0.008792 0.100160 1Rh 1dz2 -0.001706 -0.000097 0.035082 -0.000385 -0.007340 -0.006232 1Rh 1dxz 0.001308 0.000417 0.015890 -0.000551 -0.008590 -0.008444 1Rh 1dyz 0.000941 -0.000450 -0.017172 0.000390 -0.001845 -0.002042 1Rh 1dx2y2 0.000422 -0.000602 0.025179 0.000038 0.013286 0.013685 1Rh 1dxy 0.000032 0.001964 0.003061 0.000464 0.006468 0.006259 1Rh 2dz2 0.000115 -0.000005 -0.001344 0.000015 0.000333 0.000464 1Rh 2dxz -0.000080 -0.000020 -0.000624 0.000020 0.000421 0.000606 1Rh 2dyz -0.000040 0.000032 0.000653 -0.000013 0.000092 0.000140 1Rh 2dx2y2 -0.000020 0.000039 -0.000979 -0.000003 -0.000628 -0.000951 1Rh 2dxy -0.000004 -0.000119 -0.000115 -0.000029 -0.000311 -0.000435 1Rh 3dz2 0.002394 0.000181 -0.053635 0.000586 0.010965 0.008563 1Rh 3dxz -0.001866 -0.000614 -0.024296 0.000845 0.012723 0.011726 1Rh 3dyz -0.001412 0.000630 0.026288 -0.000603 0.002727 0.002870 1Rh 3dx2y2 -0.000617 0.000851 -0.038423 -0.000044 -0.019717 -0.019089 1Rh 3dxy -0.000040 -0.002811 -0.004699 -0.000661 -0.009624 -0.008778 1Rh 4dz2 0.003968 0.000105 -0.068860 0.000769 0.014794 0.015091 1Rh 4dxz -0.002934 -0.000873 -0.031145 0.001053 0.017607 0.020134 1Rh 4dyz -0.001897 0.001031 0.033645 -0.000721 0.003815 0.004782 1Rh 4dx2y2 -0.000907 0.001373 -0.049605 -0.000085 -0.027102 -0.032356 1Rh 4dxy -0.000082 -0.004407 -0.005953 -0.001036 -0.013218 -0.014650 1Rh 5dz2 -0.000526 0.000507 -0.041318 0.000386 0.010245 -0.004512 1Rh 5dxz 0.000010 -0.000286 -0.018885 0.000984 0.011171 -0.004519 1Rh 5dyz -0.000904 0.000383 0.020535 -0.000855 0.001849 -0.001329 1Rh 5dx2y2 0.000027 -0.000128 -0.029278 -0.000333 -0.018105 0.006031 1Rh 5dxy 0.000023 0.000375 -0.003574 -0.000175 -0.007748 0.002476 1Rh 1f0 -0.004751 0.002472 0.000703 0.000178 0.000166 0.000869 1Rh 1f+1 -0.002372 -0.000148 -0.000482 -0.000008 -0.000115 -0.000632 1Rh 1f-1 0.002743 0.006202 -0.000355 0.000093 -0.000073 -0.000175 1Rh 1f+2 -0.004611 0.001208 -0.000062 0.000003 -0.000148 -0.000926 1Rh 1f-2 -0.000435 0.003091 0.000292 0.000058 0.000019 -0.000226 1Rh 1f+3 0.001976 0.000480 0.000597 -0.000106 -0.000153 -0.001054 1Rh 1f-3 -0.000169 -0.002328 0.000256 -0.000144 0.000082 -0.000463 2C 1s 0.001184 0.001216 0.000018 0.001037 0.011954 -0.001100 2C 2s 0.002685 0.002850 0.000008 0.002305 0.026928 -0.002452 2C 3s -0.007155 -0.009899 0.000806 -0.005469 -0.075966 0.007463 2C 4s 0.009561 0.026185 -0.005370 0.001026 0.079489 -0.005814 2C 5s -0.169052 -0.300758 0.042950 -0.089829 -1.543911 0.145157 2C 1pz -0.004315 -0.003219 -0.000904 0.000882 0.000537 -0.004324 2C 1px -0.001417 -0.001819 -0.000106 0.001790 0.003113 0.010722 2C 1py -0.002864 -0.001036 -0.002146 -0.005327 -0.000660 0.000330 2C 2pz -0.004638 -0.005474 -0.000255 0.000180 -0.007761 0.007612 2C 2px -0.001314 -0.000366 0.000143 -0.000172 -0.000296 -0.001473 2C 2py -0.004889 -0.001784 -0.002092 -0.005659 -0.005494 0.006566 2C 3pz -0.013107 -0.074061 0.030362 0.012857 -0.105258 0.017933 2C 3px 0.003071 -0.038096 0.017064 0.016676 0.011265 -0.048912 2C 3py -0.076199 -0.003988 -0.057527 -0.048472 -0.085672 -0.017123 2C 1dz2 0.006774 -0.004224 0.005262 0.005732 -0.001177 -0.000066 2C 1dxz 0.006459 -0.004192 0.005250 0.005552 -0.000305 -0.000393 2C 1dyz -0.003689 0.002795 -0.002952 -0.003477 -0.000863 0.000826 2C 1dx2y2 0.005817 -0.003691 0.004588 0.004971 -0.000389 0.000633 2C 1dxy -0.004028 0.002736 -0.003478 -0.003362 -0.000018 0.000031 2C 2dz2 0.022138 -0.015080 0.019018 0.017926 -0.002925 0.006397 2C 2dxz 0.017872 -0.013634 0.014937 0.016004 -0.006350 -0.001291 2C 2dyz -0.014037 0.008232 -0.011365 -0.011011 -0.001668 0.000189 2C 2dx2y2 0.018426 -0.010951 0.015053 0.014593 0.000693 -0.006755 2C 2dxy -0.010103 0.006245 -0.007125 -0.010317 -0.001040 -0.004261 2C 1f0 0.004032 -0.002377 0.003072 0.003410 0.001030 -0.000440 2C 1f+1 0.000665 -0.000202 0.000435 0.000423 0.000173 -0.000366 2C 1f-1 0.000273 0.000242 0.000042 0.000161 0.001788 0.000253 2C 1f+2 0.002259 -0.001958 0.001965 0.001860 -0.003093 0.000731 2C 1f-2 0.001169 -0.000492 0.000772 0.001060 0.002518 -0.000508 2C 1f+3 0.000757 -0.000723 0.000749 0.000630 -0.002576 0.000493 2C 1f-3 -0.001794 0.001288 -0.001457 -0.001598 -0.000145 -0.000401 3C 1s 0.001097 -0.001367 -0.000071 0.001239 0.011978 0.001235 3C 2s 0.002611 -0.003041 -0.000052 0.002726 0.026964 0.002818 3C 3s -0.009775 0.007170 -0.002195 -0.006472 -0.076722 -0.008348 3C 4s 0.028165 -0.005836 0.013141 0.001595 0.082393 0.011339 3C 5s -0.311144 0.139563 -0.086546 -0.066479 -1.533159 -0.166979 3C 1pz 0.000199 0.002914 0.002305 -0.006299 -0.002834 -0.002397 3C 1px -0.000929 0.002485 0.001501 -0.001508 0.003178 0.011189 3C 1py 0.002979 -0.005646 -0.001671 -0.000180 -0.001472 -0.000396 3C 2pz -0.002659 0.004359 0.001693 -0.004423 -0.007310 -0.001524 3C 2px -0.001451 0.003367 0.000731 -0.002427 -0.003362 -0.001601 3C 2py 0.004767 -0.004529 -0.000544 -0.000896 0.006187 0.000041 3C 3pz 0.010623 0.068186 0.054544 -0.051545 -0.096669 0.033763 3C 3px -0.016454 0.023664 0.015828 -0.004104 -0.014073 -0.064521 3C 3py 0.085405 -0.011861 0.036706 -0.020583 0.092161 -0.019589 3C 1dz2 0.002452 0.004032 0.002877 -0.003630 0.000551 0.000030 3C 1dxz 0.003095 0.004680 0.003718 -0.004151 0.000067 -0.001026 3C 1dyz -0.004634 -0.006433 -0.005226 0.005922 0.000857 -0.000312 3C 1dx2y2 0.005041 0.007880 0.006231 -0.006889 0.000803 0.000566 3C 1dxy 0.001615 0.002591 0.002178 -0.002163 0.000524 -0.000035 3C 2dz2 0.010289 0.015835 0.013930 -0.011747 0.001258 0.002982 3C 2dxz 0.008766 0.014204 0.011650 -0.011740 0.000849 0.002863 3C 2dyz -0.012708 -0.020960 -0.016061 0.018351 0.001269 0.000591 3C 2dx2y2 0.016651 0.022846 0.018953 -0.020866 0.004411 -0.005223 3C 2dxy 0.004996 0.006001 0.004681 -0.006501 0.004325 0.007912 3C 1f0 0.001104 0.001650 0.001342 -0.001475 0.000845 0.000204 3C 1f+1 0.001272 0.001783 0.001440 -0.001585 0.000605 -0.000407 3C 1f-1 -0.002622 -0.004151 -0.003124 0.003691 0.001102 -0.000090 3C 1f+2 -0.000437 0.000141 -0.000259 -0.000258 -0.004269 -0.000787 3C 1f-2 -0.001179 -0.001131 -0.001108 0.000893 -0.002873 -0.000012 3C 1f+3 0.000439 0.000142 0.000269 -0.000241 0.000771 0.000101 3C 1f-3 0.000824 0.001494 0.001131 -0.001173 0.000253 0.000346 4C 1s -0.000984 -0.001044 -0.000231 -0.000417 -0.004525 0.000622 4C 2s -0.002357 -0.002551 -0.000504 -0.000979 -0.010296 0.001494 4C 3s 0.008265 0.009674 0.001011 0.002672 0.036013 -0.007403 4C 4s -0.016672 -0.019513 0.000927 -0.005305 -0.079306 0.017406 4C 5s 0.126371 0.215903 -0.017947 0.029902 0.214416 -0.079189 4C 1pz 0.120326 -0.075525 0.094572 0.098372 0.006476 0.003468 4C 1px 0.074642 -0.047922 0.059228 0.061117 -0.000749 -0.027362 4C 1py -0.198095 0.130146 -0.157844 -0.162203 0.024476 -0.003259 4C 2pz 0.128141 -0.075969 0.103303 0.100896 0.009660 0.021205 4C 2px 0.076869 -0.049324 0.063951 0.065994 0.010335 -0.053973 4C 2py -0.207558 0.141730 -0.174178 -0.166072 0.030767 -0.005098 4C 3pz 0.072061 -0.152204 0.096880 0.078756 -0.533534 -0.043365 4C 3px 0.064223 -0.040006 0.049930 0.068032 -0.063570 0.158548 4C 3py -0.232155 0.077949 -0.148611 -0.198668 -0.318840 0.048849 4C 1dz2 -0.005262 0.002490 -0.003901 -0.004411 -0.000327 0.000406 4C 1dxz -0.002112 0.001058 -0.001637 -0.001592 0.001829 -0.000741 4C 1dyz 0.001853 -0.002654 0.002139 0.001973 -0.003192 0.000381 4C 1dx2y2 -0.003257 0.002451 -0.002753 -0.003254 -0.002820 0.000616 4C 1dxy -0.000756 0.000190 -0.000402 -0.000738 -0.002069 0.000114 4C 2dz2 -0.004417 0.003949 -0.003737 -0.006497 -0.000942 0.001357 4C 2dxz -0.003087 0.001940 -0.001851 -0.002766 0.011675 -0.011927 4C 2dyz 0.002355 -0.001113 0.001704 0.001692 -0.021974 -0.001675 4C 2dx2y2 -0.005544 0.002741 -0.003935 -0.005147 -0.018618 0.005466 4C 2dxy -0.001011 0.000222 -0.001377 -0.000100 -0.013977 -0.004156 4C 1f0 0.000559 0.000129 0.000217 0.000539 0.001356 -0.000043 4C 1f+1 0.001068 0.000384 0.000533 0.000884 0.003163 -0.000816 4C 1f-1 -0.000176 0.000372 -0.000251 -0.000263 0.001087 0.000004 4C 1f+2 -0.001153 -0.000183 -0.000736 -0.000625 -0.002718 0.000528 4C 1f-2 -0.001124 0.000739 -0.001127 -0.001050 0.000885 -0.000243 4C 1f+3 0.001526 -0.000991 0.001436 0.001500 -0.000229 -0.000051 4C 1f-3 -0.000768 0.001473 -0.001167 -0.001430 0.002559 -0.000212 5C 1s -0.000985 0.001089 0.000162 -0.000575 -0.004447 -0.000617 5C 2s -0.002405 0.002608 0.000357 -0.001343 -0.010131 -0.001451 5C 3s 0.009619 -0.007334 -0.000028 0.003027 0.036193 0.004645 5C 4s -0.020908 0.007589 -0.003439 -0.002349 -0.082169 -0.009598 5C 5s 0.215081 -0.125767 0.035659 0.016206 0.199022 0.058262 5C 1pz 0.129993 0.197688 0.155157 -0.167150 0.018361 0.009975 5C 1px 0.026007 0.038954 0.030995 -0.032953 0.006318 -0.024203 5C 1py 0.084900 0.134483 0.104035 -0.113533 -0.008834 -0.006596 5C 2pz 0.140257 0.205225 0.171387 -0.170754 0.020278 0.016497 5C 2px 0.029596 0.042901 0.033624 -0.034835 0.012313 -0.052604 5C 2py 0.086953 0.145729 0.114338 -0.119935 -0.014082 -0.011755 5C 3pz 0.074619 0.215134 0.138814 -0.191128 -0.287563 -0.058499 5C 3px -0.003803 0.060053 0.019662 -0.051175 -0.186569 0.177810 5C 3py 0.157754 0.101582 0.110931 -0.110865 0.510688 0.041468 5C 1dz2 -0.003075 -0.005185 -0.003970 0.004873 0.002724 0.000429 5C 1dxz -0.001711 -0.001985 -0.001744 0.002098 0.001505 0.000156 5C 1dyz 0.002322 0.001549 0.001877 -0.001700 0.003572 0.000402 5C 1dx2y2 -0.001479 -0.003591 -0.002568 0.002857 -0.001710 -0.000717 5C 1dxy 0.000364 -0.000609 -0.000145 0.000297 0.000615 0.000364 5C 2dz2 -0.003398 -0.005289 -0.003928 0.006477 0.016965 0.004107 5C 2dxz -0.001749 -0.002099 -0.002749 0.002322 0.008395 -0.004695 5C 2dyz 0.001078 0.002782 0.000765 -0.001459 0.025241 -0.004999 5C 2dx2y2 -0.003757 -0.004566 -0.003573 0.005798 -0.013084 -0.006195 5C 2dxy -0.001816 -0.002296 -0.000268 0.002832 0.003671 0.006299 5C 1f0 0.000860 0.000778 0.000757 -0.000955 0.000755 0.000032 5C 1f+1 0.001285 0.000945 0.001198 -0.001458 0.002004 0.000332 5C 1f-1 0.000371 0.000827 0.000770 -0.000566 -0.000074 -0.000101 5C 1f+2 -0.001086 -0.001367 -0.001353 0.001426 -0.001002 -0.000155 5C 1f-2 -0.000343 0.000576 0.000396 -0.000285 -0.002595 0.000126 5C 1f+3 0.000726 -0.000174 0.000221 0.000005 0.002798 0.000034 5C 1f-3 -0.000126 0.001363 0.000853 -0.001283 -0.002941 -0.000431 6C 1s 0.000971 -0.001072 0.000142 -0.000580 -0.004453 0.000616 6C 2s 0.002374 -0.002565 0.000309 -0.001354 -0.010142 0.001447 6C 3s -0.009576 0.007230 0.000160 0.003074 0.036147 -0.004493 6C 4s 0.021100 -0.007527 -0.003817 -0.002427 -0.081665 0.008546 6C 5s -0.212646 0.124145 0.039266 0.016577 0.197528 -0.056017 6C 1pz 0.128510 0.197274 -0.156600 0.167505 -0.018311 0.009881 6C 1px 0.025755 0.038965 -0.031358 0.033084 -0.006145 -0.024224 6C 1py 0.083949 0.134155 -0.104973 0.113775 0.008935 -0.006637 6C 2pz 0.138550 0.204805 -0.172915 0.171117 -0.020451 0.016521 6C 2px 0.029297 0.042848 -0.033864 0.034975 -0.011845 -0.052630 6C 2py 0.085903 0.145440 -0.115271 0.120301 0.014338 -0.011908 6C 3pz 0.073553 0.214393 -0.139618 0.191359 0.287361 -0.056649 6C 3px -0.003925 0.059763 -0.019320 0.051409 0.185837 0.180319 6C 3py 0.156695 0.101322 -0.113333 0.110631 -0.510142 0.037694 6C 1dz2 0.003038 0.005161 -0.004000 0.004875 0.002714 -0.000411 6C 1dxz 0.001687 0.001975 -0.001763 0.002094 0.001502 -0.000149 6C 1dyz -0.002295 -0.001567 0.001916 -0.001709 0.003565 -0.000375 6C 1dx2y2 0.001472 0.003583 -0.002587 0.002869 -0.001714 0.000711 6C 1dxy -0.000356 0.000594 -0.000131 0.000294 0.000618 -0.000357 6C 2dz2 0.003307 0.005265 -0.003916 0.006463 0.016988 -0.003987 6C 2dxz 0.001685 0.002134 -0.002768 0.002326 0.008276 0.004757 6C 2dyz -0.001138 -0.002786 0.000774 -0.001466 0.025137 0.005178 6C 2dx2y2 0.003759 0.004524 -0.003674 0.005807 -0.013032 0.006048 6C 2dxy 0.001814 0.002284 -0.000276 0.002867 0.003844 -0.006369 6C 1f0 0.000855 0.000778 -0.000770 0.000958 -0.000745 0.000022 6C 1f+1 0.001274 0.000937 -0.001216 0.001452 -0.002002 0.000316 6C 1f-1 0.000361 0.000824 -0.000770 0.000567 0.000079 -0.000104 6C 1f+2 -0.001075 -0.001363 0.001367 -0.001426 0.000996 -0.000149 6C 1f-2 -0.000347 0.000581 -0.000395 0.000294 0.002585 0.000146 6C 1f+3 0.000728 -0.000167 -0.000242 -0.000006 -0.002793 0.000015 6C 1f-3 -0.000136 0.001363 -0.000848 0.001290 0.002934 -0.000412 7C 1s 0.000957 0.001059 -0.000224 -0.000398 -0.004518 -0.000650 7C 2s 0.002298 0.002584 -0.000489 -0.000936 -0.010277 -0.001558 7C 3s -0.008147 -0.009776 0.000948 0.002612 0.035812 0.007573 7C 4s 0.016645 0.019877 0.001224 -0.005445 -0.078517 -0.017522 7C 5s -0.127853 -0.215651 -0.015720 0.030761 0.213251 0.082348 7C 1pz 0.119080 -0.075259 -0.096831 -0.099684 -0.006697 0.003359 7C 1px 0.073554 -0.047550 -0.060356 -0.061687 0.000707 -0.027327 7C 1py -0.194826 0.128941 0.160595 0.163354 -0.023972 -0.003379 7C 2pz 0.126868 -0.075749 -0.105916 -0.102202 -0.010017 0.021131 7C 2px 0.075726 -0.048907 -0.065322 -0.066540 -0.010489 -0.054327 7C 2py -0.203865 0.140360 0.176801 0.167227 -0.030373 -0.005303 7C 3pz 0.070389 -0.152802 -0.098599 -0.079995 0.532762 -0.040914 7C 3px 0.063271 -0.039559 -0.050974 -0.068202 0.061818 0.159958 7C 3py -0.229247 0.075798 0.151436 0.200245 0.320396 0.050603 7C 1dz2 0.005206 -0.002477 -0.003995 -0.004454 -0.000316 -0.000411 7C 1dxz 0.002087 -0.001058 -0.001669 -0.001608 0.001833 0.000755 7C 1dyz -0.001804 0.002643 0.002169 0.001990 -0.003196 -0.000414 7C 1dx2y2 0.003182 -0.002416 -0.002792 -0.003268 -0.002799 -0.000646 7C 1dxy 0.000748 -0.000184 -0.000413 -0.000744 -0.002053 -0.000124 7C 2dz2 0.004347 -0.003915 -0.003866 -0.006467 -0.000923 -0.001390 7C 2dxz 0.003124 -0.001963 -0.001952 -0.002762 0.011604 0.012089 7C 2dyz -0.002335 0.001122 0.001729 0.001756 -0.021998 0.001587 7C 2dx2y2 0.005391 -0.002608 -0.003875 -0.005207 -0.018475 -0.005558 7C 2dxy 0.000947 -0.000143 -0.001295 -0.000079 -0.013921 0.004160 7C 1f0 0.000563 0.000134 -0.000229 -0.000548 -0.001339 -0.000060 7C 1f+1 0.001055 0.000396 -0.000539 -0.000891 -0.003134 -0.000822 7C 1f-1 -0.000175 0.000375 0.000257 0.000271 -0.001075 0.000004 7C 1f+2 -0.001143 -0.000187 0.000753 0.000640 0.002715 0.000553 7C 1f-2 -0.001104 0.000733 0.001139 0.001059 -0.000887 -0.000255 7C 1f+3 0.001502 -0.000984 -0.001460 -0.001513 0.000225 -0.000046 7C 1f-3 -0.000742 0.001464 0.001186 0.001431 -0.002545 -0.000217 8C 1s -0.001069 0.001331 -0.000047 0.001240 0.011958 -0.001155 8C 2s -0.002548 0.002961 0.000003 0.002730 0.026919 -0.002638 8C 3s 0.009589 -0.006998 -0.002368 -0.006534 -0.076591 0.007869 8C 4s -0.027912 0.005872 0.013506 0.001932 0.082299 -0.011015 8C 5s 0.307179 -0.137431 -0.091393 -0.068058 -1.529950 0.156114 8C 1pz 0.000204 0.002836 -0.002268 0.006288 0.002821 -0.002364 8C 1px -0.000951 0.002470 -0.001470 0.001503 -0.003268 0.011129 8C 1py 0.002958 -0.005562 0.001580 0.000184 0.001382 -0.000379 8C 2pz -0.002594 0.004305 -0.001653 0.004406 0.007192 -0.001445 8C 2px -0.001352 0.003304 -0.000689 0.002450 0.003290 -0.001458 8C 2py 0.004654 -0.004346 0.000363 0.000988 -0.006116 -0.000093 8C 3pz 0.010151 0.067748 -0.054207 0.051618 0.095969 0.035040 8C 3px -0.016868 0.023785 -0.015541 0.004050 0.014095 -0.065421 8C 3py 0.084882 -0.011495 -0.038233 0.020460 -0.092571 -0.020682 8C 1dz2 -0.002426 -0.004021 0.002905 -0.003636 0.000548 -0.000008 8C 1dxz -0.003125 -0.004767 0.003838 -0.004242 0.000064 0.001028 8C 1dyz 0.004564 0.006375 -0.005248 0.005896 0.000850 0.000329 8C 1dx2y2 -0.004954 -0.007821 0.006251 -0.006866 0.000801 -0.000574 8C 1dxy -0.001619 -0.002624 0.002228 -0.002201 0.000522 0.000031 8C 2dz2 -0.010155 -0.015833 0.014060 -0.011796 0.001285 -0.003081 8C 2dxz -0.008805 -0.014390 0.011885 -0.011999 0.000877 -0.002823 8C 2dyz 0.012509 0.020764 -0.016073 0.018285 0.001289 -0.000575 8C 2dx2y2 -0.016391 -0.022724 0.019070 -0.020852 0.004263 0.005373 8C 2dxy -0.004998 -0.006090 0.004805 -0.006629 0.004352 -0.007837 8C 1f0 0.001087 0.001646 -0.001350 0.001479 -0.000852 0.000187 8C 1f+1 0.001238 0.001758 -0.001433 0.001572 -0.000533 -0.000414 8C 1f-1 -0.002603 -0.004144 0.003157 -0.003707 -0.001085 -0.000097 8C 1f+2 -0.000437 0.000120 0.000277 0.000246 0.004246 -0.000759 8C 1f-2 -0.001157 -0.001115 0.001112 -0.000874 0.002906 -0.000003 8C 1f+3 0.000439 0.000148 -0.000275 0.000249 -0.000741 0.000083 8C 1f-3 0.000824 0.001514 -0.001158 0.001197 -0.000226 0.000339 9C 1s -0.001164 -0.001247 0.000012 0.001005 0.011940 0.001200 9C 2s -0.002645 -0.002918 -0.000000 0.002236 0.026896 0.002677 9C 3s 0.007175 0.010034 0.000694 -0.005342 -0.075811 -0.008095 9C 4s -0.010206 -0.026088 -0.004611 0.001189 0.079087 0.006406 9C 5s 0.171995 0.302876 0.039709 -0.090506 -1.541453 -0.156902 9C 1pz -0.004132 -0.003269 0.000784 -0.001033 -0.000369 -0.004377 9C 1px -0.001366 -0.001805 0.000058 -0.001835 -0.003175 0.010675 9C 1py -0.002800 -0.001155 0.002151 0.005211 0.000492 0.000332 9C 2pz -0.004440 -0.005594 0.000026 -0.000307 0.007825 0.007819 9C 2px -0.001285 -0.000435 -0.000199 0.000127 0.000269 -0.001501 9C 2py -0.004780 -0.001877 0.001997 0.005669 0.005358 0.006599 9C 3pz -0.013179 -0.074026 -0.030910 -0.013056 0.105660 0.018124 9C 3px 0.003178 -0.037734 -0.017551 -0.017143 -0.011535 -0.049540 9C 3py -0.075731 -0.004982 0.058818 0.048616 0.084932 -0.016191 9C 1dz2 -0.006660 0.004178 0.005349 0.005767 -0.001158 0.000058 9C 1dxz -0.006327 0.004132 0.005319 0.005569 -0.000282 0.000411 9C 1dyz 0.003475 -0.002666 -0.002873 -0.003372 -0.000879 -0.000833 9C 1dx2y2 -0.005921 0.003786 0.004843 0.005174 -0.000380 -0.000626 9C 1dxy 0.003927 -0.002687 -0.003508 -0.003358 -0.000035 -0.000074 9C 2dz2 -0.021791 0.014973 0.019396 0.018051 -0.002738 -0.006400 9C 2dxz -0.017510 0.013514 0.015189 0.016054 -0.006327 0.001169 9C 2dyz 0.013368 -0.007857 -0.011185 -0.010699 -0.001766 -0.000351 9C 2dx2y2 -0.018620 0.011197 0.015690 0.015209 0.000693 0.006750 9C 2dxy 0.009823 -0.006120 -0.007190 -0.010255 -0.001063 0.004465 9C 1f0 0.004007 -0.002384 -0.003165 -0.003466 -0.001025 -0.000445 9C 1f+1 0.000675 -0.000211 -0.000460 -0.000446 -0.000193 -0.000390 9C 1f-1 0.000285 0.000238 -0.000058 -0.000167 -0.001758 0.000241 9C 1f+2 0.002177 -0.001930 -0.001966 -0.001839 0.003161 0.000767 9C 1f-2 0.001154 -0.000488 -0.000794 -0.001061 -0.002453 -0.000515 9C 1f+3 0.000773 -0.000741 -0.000785 -0.000666 0.002528 0.000530 9C 1f-3 -0.001734 0.001247 0.001452 0.001582 0.000255 -0.000371 10H 1s -0.005911 0.004013 -0.004868 -0.004922 0.002343 0.004905 10H 2s -0.008156 0.005921 -0.007480 -0.008043 -0.027978 0.042428 10H 3s -0.010154 0.079911 -0.039820 -0.019365 0.340096 -0.056518 10H 1pz 0.000310 -0.001289 0.000714 0.000521 -0.005106 0.002296 10H 1px 0.000076 0.001466 -0.000566 -0.000043 0.008877 -0.004062 10H 1py 0.000048 -0.000402 0.000046 0.000020 -0.001875 0.000667 11H 1s 0.035112 -0.022919 0.028329 0.029226 0.000474 -0.003028 11H 2s 0.052330 -0.029141 0.043385 0.037097 -0.015924 -0.011205 11H 3s 0.235910 -0.113096 0.176742 0.226385 0.383932 -0.034829 11H 1pz -0.004629 0.002308 -0.003273 -0.004512 -0.004581 0.000418 11H 1px -0.003320 0.001513 -0.002444 -0.003362 -0.005659 -0.000436 11H 1py -0.000428 0.000343 -0.000489 0.000085 0.005673 -0.000204 12H 1s -0.029125 0.018636 -0.023519 -0.023734 0.004714 -0.003324 12H 2s -0.043033 0.029744 -0.037357 -0.034702 -0.012187 -0.010782 12H 3s -0.161784 0.156540 -0.169303 -0.140988 0.380839 -0.049290 12H 1pz 0.001115 -0.000690 0.000674 0.001256 0.003024 -0.000028 12H 1px 0.001614 -0.001721 0.001789 0.001678 -0.003528 -0.000449 12H 1py 0.002778 -0.002965 0.002765 0.002675 -0.008595 0.000548 13H 1s 0.006593 0.009893 0.007959 -0.008331 0.002643 0.005604 13H 2s 0.011578 0.014360 0.013508 -0.013181 -0.021077 0.030154 13H 3s 0.091575 0.043368 0.069005 -0.046932 0.329622 0.070690 13H 1pz -0.001304 -0.000426 -0.000687 0.000447 -0.006583 0.000902 13H 1px 0.001235 0.000327 0.000869 -0.000415 0.006693 -0.000888 13H 1py 0.001114 0.000605 0.000782 -0.000797 0.002807 -0.000712 14H 1s 0.016801 0.025940 0.020744 -0.021936 0.003788 -0.003272 14H 2s 0.026035 0.039750 0.032678 -0.034201 -0.024043 -0.026784 14H 3s 0.155909 0.140528 0.160683 -0.128325 0.383954 0.056819 14H 1pz -0.001625 -0.001313 -0.001375 0.001213 -0.005523 -0.000852 14H 1px -0.003025 -0.002296 -0.002869 0.002281 -0.009140 -0.002943 14H 1py 0.000656 0.001078 0.000643 -0.001270 -0.002559 -0.000860 15H 1s -0.023836 -0.036231 -0.028830 0.031156 0.001351 -0.001290 15H 2s -0.030232 -0.052610 -0.043774 0.037973 -0.017009 -0.011691 15H 3s -0.122225 -0.238727 -0.173446 0.240615 0.395642 0.048072 15H 1pz -0.000186 -0.000664 -0.000241 0.001312 0.007449 0.001536 15H 1px 0.001093 0.002211 0.001652 -0.002120 -0.001119 -0.000799 15H 1py -0.002684 -0.005446 -0.003682 0.005587 0.006041 0.000822 16H 1s -0.001255 -0.001293 0.000487 0.000808 0.021086 -0.029748 16H 2s -0.003074 -0.003529 0.007094 0.002859 0.051461 -0.068350 16H 3s 0.018406 0.024526 0.006224 0.003276 0.188005 -0.346823 16H 1pz -0.000918 -0.000928 0.000308 -0.000591 -0.013587 0.019633 16H 1px -0.000690 -0.000067 -0.000152 -0.000150 -0.000875 0.000719 16H 1py 0.000011 -0.000723 0.000334 -0.000047 -0.004831 0.007174 17H 1s 0.001567 -0.000682 0.000977 0.000725 0.020805 -0.029611 17H 2s 0.002260 -0.000658 0.009745 0.002326 0.050370 -0.063661 17H 3s -0.031816 0.002472 0.026115 0.000182 0.186338 -0.356304 17H 1pz -0.001295 -0.000170 0.000141 0.000224 0.010140 -0.014446 17H 1px -0.000180 0.000206 -0.000328 0.000215 0.007885 -0.012184 17H 1py 0.000534 -0.000196 0.000142 -0.000217 -0.007055 0.010815 18H 1s -0.001516 0.000639 0.001038 0.000728 0.020650 0.029606 18H 2s -0.001590 0.000616 0.010019 0.002288 0.050358 0.064283 18H 3s 0.032925 -0.001522 0.027543 -0.000199 0.183723 0.354583 18H 1pz -0.001309 -0.000175 -0.000134 -0.000228 -0.010223 -0.014680 18H 1px -0.000146 0.000220 0.000353 -0.000216 -0.007815 -0.012145 18H 1py 0.000506 -0.000163 -0.000137 0.000191 0.006682 0.010334 19H 1s 0.001275 0.001294 0.000421 0.000811 0.020959 0.029805 19H 2s 0.003704 0.003371 0.006572 0.002735 0.051359 0.068778 19H 3s -0.017381 -0.025115 0.004356 0.003416 0.186689 0.347504 19H 1pz -0.000929 -0.000919 -0.000276 0.000601 0.013381 0.019497 19H 1px -0.000651 -0.000081 0.000131 0.000140 0.000773 0.000576 19H 1py -0.000014 -0.000772 -0.000348 0.000054 0.005105 0.007634 20H 1s 0.023525 0.036070 -0.029041 0.031151 0.001345 0.001339 20H 2s 0.029692 0.052512 -0.044143 0.037930 -0.017079 0.011767 20H 3s 0.121256 0.237006 -0.174191 0.240852 0.394334 -0.045037 20H 1pz -0.000198 -0.000649 0.000234 -0.001323 -0.007440 0.001489 20H 1px 0.001094 0.002231 -0.001682 0.002160 0.001186 -0.000810 20H 1py -0.002653 -0.005383 0.003673 -0.005575 -0.006022 0.000779 21H 1s -0.016723 -0.026089 0.021091 -0.022149 0.003762 0.003279 21H 2s -0.025992 -0.039963 0.033317 -0.034475 -0.023975 0.026388 21H 3s -0.154125 -0.141970 0.163476 -0.129347 0.383255 -0.053646 21H 1pz -0.001623 -0.001343 0.001419 -0.001240 0.005563 -0.000813 21H 1px -0.002979 -0.002320 0.002912 -0.002298 0.009080 -0.002853 21H 1py 0.000660 0.001084 -0.000660 0.001281 0.002580 -0.000844 22H 1s -0.006335 -0.009599 0.007809 -0.008111 0.002655 -0.005604 22H 2s -0.011205 -0.013887 0.013299 -0.012811 -0.020754 -0.030276 22H 3s -0.089161 -0.041765 0.068496 -0.045200 0.328817 -0.069615 22H 1pz -0.001263 -0.000405 0.000677 -0.000422 0.006497 0.000934 22H 1px 0.001210 0.000319 -0.000871 0.000400 -0.006691 -0.000920 22H 1py 0.001093 0.000589 -0.000786 0.000777 -0.002837 -0.000736 23H 1s 0.029022 -0.018702 -0.024240 -0.024223 0.004640 0.003287 23H 2s 0.042802 -0.029729 -0.038312 -0.035403 -0.012296 0.010203 23H 3s 0.160693 -0.157397 -0.173780 -0.144048 0.380871 0.052122 23H 1pz 0.001122 -0.000686 -0.000705 -0.001285 -0.003071 -0.000065 23H 1px 0.001580 -0.001698 -0.001809 -0.001692 0.003395 -0.000420 23H 1py 0.002785 -0.003010 -0.002875 -0.002760 0.008610 0.000644 24H 1s -0.034396 0.022606 0.028701 0.029321 0.000566 0.003120 24H 2s -0.051388 0.028770 0.043975 0.037432 -0.015685 0.011327 24H 3s -0.232259 0.110120 0.180069 0.226668 0.383110 0.038946 24H 1pz -0.004506 0.002241 0.003295 0.004472 0.004554 0.000462 24H 1px -0.003302 0.001492 0.002520 0.003398 0.005738 -0.000379 24H 1py -0.000452 0.000370 0.000513 -0.000033 -0.005572 -0.000255 25H 1s 0.005332 -0.003662 -0.004548 -0.004558 0.002303 -0.004882 25H 2s 0.007203 -0.005356 -0.006864 -0.007478 -0.027850 -0.042683 25H 3s 0.006289 -0.077921 -0.037345 -0.017129 0.338721 0.059252 25H 1pz 0.000251 -0.001264 -0.000689 -0.000484 0.005147 0.002366 25H 1px 0.000129 0.001440 0.000528 0.000010 -0.008824 -0.004136 25H 1py 0.000026 -0.000378 -0.000027 -0.000004 0.001765 0.000648 26O 1s 0.001622 0.002507 -0.000034 0.000604 0.010444 -0.007761 26O 2s 0.004019 0.006233 -0.000118 0.001502 0.025788 -0.019214 26O 3s -0.008081 -0.012807 0.000657 -0.002869 -0.048208 0.036333 26O 4s -0.001611 -0.000369 -0.002154 -0.002252 -0.048823 0.029126 26O 5s -0.042241 -0.088245 0.012969 -0.012824 -0.057580 0.128235 26O 1pz -0.075418 0.032893 -0.060237 -0.061881 -0.002120 -0.003592 26O 1px -0.042976 0.022727 -0.036185 -0.037123 -0.003169 0.028599 26O 1py 0.106124 -0.079429 0.098303 0.100423 -0.013797 0.004826 26O 2pz -0.063358 0.026702 -0.049044 -0.052699 -0.010157 -0.005034 26O 2px -0.037068 0.018835 -0.030645 -0.030573 -0.000265 0.016324 26O 2py 0.089682 -0.068109 0.081346 0.086286 -0.016317 0.000143 26O 3pz -0.097770 0.032050 -0.079785 -0.068318 0.040923 0.037913 26O 3px -0.057537 0.031793 -0.049155 -0.046081 -0.067747 0.006508 26O 3py 0.116333 -0.094903 0.122466 0.113597 -0.013615 0.021822 26O 1dz2 -0.000687 0.000506 -0.000397 -0.000535 -0.000148 0.000243 26O 1dxz -0.001297 0.001069 -0.001042 -0.000977 0.000125 0.000272 26O 1dyz 0.000116 0.000365 -0.000175 -0.000095 -0.000183 -0.000251 26O 1dx2y2 -0.001882 0.001264 -0.001352 -0.001337 0.000105 -0.000571 26O 1dxy 0.001655 -0.000775 0.001229 0.001121 -0.000141 -0.000397 26O 2dz2 -0.005744 0.002100 -0.002808 -0.003190 -0.002865 0.001935 26O 2dxz -0.005593 0.004148 -0.003915 -0.004483 -0.000363 -0.002553 26O 2dyz -0.000445 -0.002675 0.000134 0.000121 -0.001856 0.000637 26O 2dx2y2 -0.007895 0.004906 -0.005301 -0.005967 0.003983 -0.000300 26O 2dxy 0.004937 -0.003774 0.004175 0.003922 0.001517 -0.002432 26O 1f0 -0.000618 0.000515 -0.000221 -0.000524 -0.000017 -0.000007 26O 1f+1 0.000035 -0.000011 0.000076 0.000043 0.000210 -0.000114 26O 1f-1 0.000094 -0.000365 0.000156 0.000180 -0.000036 -0.000024 26O 1f+2 0.000272 -0.000138 0.000338 0.000224 -0.000054 0.000037 26O 1f-2 -0.000028 -0.000268 0.000159 0.000100 0.000099 0.000002 26O 1f+3 -0.001053 0.000532 -0.000670 -0.000799 0.000155 0.000023 26O 1f-3 0.000470 -0.000120 0.000208 0.000252 0.000086 -0.000112 27O 1s 0.002430 -0.001620 0.000178 0.000591 0.009762 -0.005766 27O 2s 0.006045 -0.004002 0.000427 0.001429 0.024096 -0.014289 27O 3s -0.012503 0.007778 -0.000691 -0.002163 -0.045005 0.026892 27O 4s -0.000243 0.002954 -0.001350 -0.005471 -0.047438 0.021934 27O 5s -0.078757 0.046952 0.002723 -0.000078 -0.025675 0.106711 27O 1pz -0.077777 -0.104784 -0.096083 0.101549 -0.010829 -0.005610 27O 1px -0.020471 -0.019733 -0.020352 0.021559 -0.004397 0.026932 27O 1py -0.038617 -0.083726 -0.065978 0.072339 0.006902 -0.003844 27O 2pz -0.066468 -0.088679 -0.079674 0.086641 -0.014763 -0.005745 27O 2px -0.017988 -0.017210 -0.018015 0.019544 -0.003486 0.010487 27O 2py -0.032279 -0.070074 -0.053885 0.061210 0.012158 0.000992 27O 3pz -0.095392 -0.118536 -0.119400 0.116901 0.019559 0.029678 27O 3px -0.024474 -0.016935 -0.020872 0.017161 -0.079917 0.014905 27O 3py -0.034538 -0.109369 -0.087366 0.084354 -0.013462 -0.042629 27O 1dz2 -0.000378 -0.000180 -0.000065 0.000192 0.000161 0.000367 27O 1dxz -0.001368 -0.002355 -0.001692 0.001728 0.000015 0.000160 27O 1dyz 0.000300 0.000944 0.000525 -0.000580 0.000239 0.000353 27O 1dx2y2 -0.000593 -0.000936 -0.000612 0.000665 -0.000093 -0.000364 27O 1dxy -0.001158 -0.001210 -0.001077 0.001017 0.000051 0.000248 27O 2dz2 -0.001450 -0.003740 -0.001503 0.001959 -0.002104 0.000434 27O 2dxz -0.005485 -0.008596 -0.006055 0.006564 -0.002257 -0.001774 27O 2dyz 0.004291 0.001902 0.001856 -0.002126 0.001918 -0.001479 27O 2dx2y2 -0.002796 -0.005701 -0.003097 0.004012 0.004607 -0.000677 27O 2dxy -0.002402 -0.004446 -0.003306 0.003535 -0.000799 0.002435 27O 1f0 -0.000198 -0.000758 -0.000357 0.000498 -0.000062 -0.000044 27O 1f+1 -0.000046 -0.000273 -0.000100 0.000146 0.000045 -0.000011 27O 1f-1 0.000148 0.000241 -0.000111 -0.000152 0.000077 0.000013 27O 1f+2 0.000570 0.000632 0.000502 -0.000567 0.000194 0.000007 27O 1f-2 -0.000026 -0.000306 -0.000229 0.000189 -0.000163 -0.000019 27O 1f+3 -0.000350 -0.000300 -0.000242 0.000319 0.000166 0.000040 27O 1f-3 -0.000458 -0.000409 -0.000220 0.000379 -0.000025 0.000043 28O 1s 0.001688 0.002462 -0.000026 0.000585 0.009719 0.005913 28O 2s 0.004172 0.006085 -0.000069 0.001436 0.023952 0.014607 28O 3s -0.008162 -0.011980 0.000214 -0.002531 -0.044238 -0.026549 28O 4s -0.003107 -0.003494 -0.000497 -0.004121 -0.051833 -0.027295 28O 5s -0.046210 -0.068732 0.002619 0.002670 0.009187 -0.118816 28O 1pz -0.071615 0.029693 -0.056624 -0.058736 -0.006328 -0.012060 28O 1px -0.041770 0.025239 -0.036119 -0.037618 -0.000070 0.026564 28O 1py 0.100299 -0.075296 0.093987 0.095020 -0.016127 -0.003970 28O 2pz -0.060603 0.025267 -0.046968 -0.050369 -0.009380 0.002190 28O 2px -0.035129 0.021813 -0.029839 -0.032385 -0.000635 0.012031 28O 2py 0.085252 -0.064335 0.078094 0.081597 -0.017170 -0.000157 28O 3pz -0.095241 0.023187 -0.072633 -0.072022 -0.046805 -0.041487 28O 3px -0.052799 0.025573 -0.046275 -0.037330 0.078214 -0.009101 28O 3py 0.115922 -0.098640 0.120594 0.110878 -0.009285 -0.033376 28O 1dz2 -0.001768 0.001437 -0.001350 -0.001377 -0.000101 0.000120 28O 1dxz 0.000314 -0.000382 0.000387 0.000334 0.000172 -0.000396 28O 1dyz 0.001648 -0.000618 0.001041 0.001019 -0.000369 0.000360 28O 1dx2y2 0.000160 -0.000079 0.000241 0.000093 -0.000170 0.000391 28O 1dxy -0.001818 0.001174 -0.001400 -0.001343 -0.000027 0.000125 28O 2dz2 -0.007745 0.004309 -0.004515 -0.005040 0.000099 0.001304 28O 2dxz -0.000595 -0.000276 0.000335 -0.000153 -0.005420 -0.001236 28O 2dyz 0.004214 -0.005545 0.003618 0.003653 -0.001678 -0.000146 28O 2dx2y2 -0.001338 0.000376 0.000147 0.000033 0.003488 -0.000860 28O 2dxy -0.006508 0.002580 -0.004583 -0.004609 -0.000471 -0.001938 28O 1f0 -0.000025 -0.000064 0.000187 0.000057 0.000138 -0.000053 28O 1f+1 -0.000554 0.000559 -0.000311 -0.000480 0.000115 0.000033 28O 1f-1 -0.000455 -0.000127 -0.000136 -0.000206 0.000040 -0.000041 28O 1f+2 -0.000133 0.000177 0.000078 -0.000120 -0.000174 0.000056 28O 1f-2 0.000632 -0.000413 0.000478 0.000490 -0.000213 -0.000016 28O 1f+3 0.000027 -0.000035 -0.000059 0.000020 -0.000133 0.000025 28O 1f-3 0.000680 -0.000322 0.000346 0.000479 0.000025 0.000002 29O 1s -0.000068 -0.000074 0.000539 0.000759 0.017063 -0.023282 29O 2s -0.000184 -0.000116 0.001381 0.001898 0.042708 -0.057838 29O 3s 0.000551 -0.000769 -0.003041 -0.003847 -0.087593 0.113127 29O 4s -0.000520 0.004489 0.001113 -0.002119 -0.046746 0.093564 29O 5s 0.004533 -0.010781 -0.027713 -0.015004 -0.363391 0.426615 29O 1pz 0.007365 0.003564 -0.000509 0.000439 0.013169 -0.021435 29O 1px 0.003056 0.001049 -0.001992 0.000215 -0.023916 0.043371 29O 1py -0.003839 0.008839 0.001611 0.001715 0.045517 -0.066877 29O 2pz 0.002883 0.000814 0.000449 0.000545 0.012462 -0.015981 29O 2px 0.000686 0.001664 -0.001237 -0.000732 -0.023813 0.030571 29O 2py -0.002539 0.005871 0.001102 0.001777 0.037296 -0.049918 29O 3pz 0.019513 0.010062 -0.002948 0.000174 0.014764 -0.048832 29O 3px 0.011630 -0.001619 -0.010129 0.003890 -0.025024 0.107439 29O 3py -0.007284 0.014934 0.011288 0.001318 0.059383 -0.098991 29O 1dz2 -0.000207 -0.000077 0.000033 0.000026 0.000876 -0.001084 29O 1dxz 0.000237 0.000085 0.000074 0.000014 0.000712 -0.000807 29O 1dyz -0.000015 -0.000116 -0.000015 -0.000002 -0.000108 0.000183 29O 1dx2y2 0.000109 0.000043 -0.000078 0.000014 -0.000268 0.000083 29O 1dxy -0.000109 0.000269 -0.000077 0.000005 -0.000096 -0.000067 29O 2dz2 -0.000313 0.000222 0.000199 0.000099 0.003810 -0.006434 29O 2dxz 0.000409 0.000200 -0.000091 0.000068 0.002724 -0.004718 29O 2dyz -0.000209 -0.000191 -0.000272 0.000010 -0.000463 0.000912 29O 2dx2y2 -0.000000 0.000213 0.000703 -0.000050 0.000244 -0.000260 29O 2dxy -0.000432 0.000496 0.000547 -0.000069 -0.001018 0.002298 29O 1f0 0.000060 -0.000006 0.000099 0.000013 -0.000084 0.000163 29O 1f+1 0.000073 0.000067 -0.000076 0.000012 0.000060 -0.000070 29O 1f-1 -0.000031 0.000063 0.000081 0.000006 0.000003 0.000164 29O 1f+2 0.000003 -0.000001 -0.000048 0.000003 0.000023 0.000024 29O 1f-2 -0.000031 0.000022 0.000081 0.000017 -0.000028 0.000206 29O 1f+3 0.000051 -0.000100 -0.000003 -0.000007 -0.000018 0.000111 29O 1f-3 0.000007 -0.000035 -0.000018 -0.000005 -0.000093 0.000158 30O 1s 0.002582 -0.001602 0.000212 0.000596 0.010191 0.007728 30O 2s 0.006403 -0.003946 0.000545 0.001473 0.025134 0.019059 30O 3s -0.012965 0.007478 -0.001333 -0.002631 -0.046661 -0.034724 30O 4s -0.001759 0.003318 0.000630 -0.003337 -0.051823 -0.036739 30O 5s -0.077091 0.056030 -0.010306 -0.013781 -0.016527 -0.116418 30O 1pz -0.075449 -0.101186 -0.092887 0.098827 -0.011497 -0.012156 30O 1px -0.014906 -0.016416 -0.016099 0.017551 -0.001090 0.024933 30O 1py -0.034989 -0.079907 -0.062929 0.068575 0.007195 0.007629 30O 2pz -0.065138 -0.086768 -0.077127 0.085923 -0.012889 -0.003676 30O 2px -0.012448 -0.013985 -0.013921 0.014219 -0.003633 0.014537 30O 2py -0.028900 -0.066599 -0.051874 0.057607 0.010874 -0.002510 30O 3pz -0.094291 -0.119024 -0.118391 0.112686 -0.036524 -0.026255 30O 3px -0.025523 -0.012054 -0.022362 0.023244 0.072561 -0.017669 30O 3py -0.032792 -0.102711 -0.083383 0.081004 0.024847 0.043650 30O 1dz2 -0.001587 -0.002251 -0.001625 0.001737 0.000015 -0.000418 30O 1dxz 0.000706 0.001167 0.000939 -0.000866 0.000110 -0.000353 30O 1dyz 0.000052 0.000915 0.000416 -0.000483 0.000351 -0.000388 30O 1dx2y2 -0.000601 -0.000612 -0.000416 0.000506 0.000092 0.000389 30O 1dxy 0.000771 0.001136 0.000939 -0.000849 0.000144 0.000166 30O 2dz2 -0.004948 -0.009876 -0.005868 0.006636 -0.000950 0.001322 30O 2dxz 0.001187 0.002392 0.002656 -0.002505 -0.003507 -0.001429 30O 2dyz 0.003516 0.001244 0.001373 -0.001467 -0.000558 -0.000828 30O 2dx2y2 -0.002344 -0.003588 -0.001942 0.002408 0.002261 -0.001282 30O 2dxy 0.003590 0.002918 0.002627 -0.002847 0.004551 0.002733 30O 1f0 0.000305 0.000052 0.000101 -0.000159 0.000108 0.000025 30O 1f+1 -0.000533 -0.001013 -0.000533 0.000767 0.000028 0.000056 30O 1f-1 0.000003 -0.000236 -0.000341 0.000171 -0.000040 0.000026 30O 1f+2 0.000440 0.000104 0.000243 -0.000238 -0.000085 -0.000002 30O 1f-2 0.000160 0.000251 0.000050 -0.000189 -0.000082 -0.000048 30O 1f+3 0.000386 0.000555 0.000298 -0.000461 0.000003 0.000008 30O 1f-3 -0.000187 -0.000362 -0.000128 0.000229 -0.000280 -0.000069 31O 1s -0.002553 0.001576 0.000252 0.000611 0.010232 -0.007684 31O 2s -0.006332 0.003883 0.000644 0.001509 0.025234 -0.018950 31O 3s 0.012825 -0.007367 -0.001529 -0.002711 -0.046827 0.034504 31O 4s 0.001695 -0.003194 0.000586 -0.003311 -0.052073 0.036570 31O 5s 0.076139 -0.055360 -0.011640 -0.014340 -0.017799 0.116562 31O 1pz -0.074421 -0.100938 0.093732 -0.098890 0.011580 -0.012097 31O 1px -0.014751 -0.016482 0.016356 -0.017628 0.000933 0.025032 31O 1py -0.034521 -0.079555 0.063224 -0.068715 -0.007315 0.007561 31O 2pz -0.064303 -0.086536 0.077828 -0.086002 0.012832 -0.003528 31O 2px -0.012283 -0.014057 0.014120 -0.014281 0.003567 0.014615 31O 2py -0.028514 -0.066327 0.052122 -0.057745 -0.010891 -0.002648 31O 3pz -0.093036 -0.118725 0.119589 -0.112644 0.036776 -0.026135 31O 3px -0.025170 -0.012173 0.022894 -0.023250 -0.072069 -0.018332 31O 3py -0.032002 -0.102371 0.083617 -0.081238 -0.025005 0.043761 31O 1dz2 0.001572 0.002246 -0.001642 0.001741 0.000011 0.000421 31O 1dxz -0.000698 -0.001164 0.000947 -0.000869 0.000104 0.000360 31O 1dyz -0.000054 -0.000912 0.000414 -0.000487 0.000345 0.000392 31O 1dx2y2 0.000595 0.000611 -0.000422 0.000506 0.000094 -0.000392 31O 1dxy -0.000760 -0.001136 0.000948 -0.000852 0.000147 -0.000165 31O 2dz2 0.004882 0.009842 -0.005902 0.006645 -0.000924 -0.001338 31O 2dxz -0.001153 -0.002389 0.002671 -0.002511 -0.003502 0.001414 31O 2dyz -0.003508 -0.001248 0.001428 -0.001465 -0.000548 0.000822 31O 2dx2y2 0.002309 0.003583 -0.001971 0.002409 0.002254 0.001284 31O 2dxy -0.003580 -0.002920 0.002676 -0.002858 0.004528 -0.002711 31O 1f0 0.000306 0.000052 -0.000105 0.000158 -0.000108 0.000025 31O 1f+1 -0.000529 -0.001011 0.000539 -0.000770 -0.000029 0.000056 31O 1f-1 0.000007 -0.000234 0.000339 -0.000171 0.000039 0.000026 31O 1f+2 0.000437 0.000103 -0.000249 0.000236 0.000084 -0.000001 31O 1f-2 0.000160 0.000249 -0.000052 0.000189 0.000082 -0.000047 31O 1f+3 0.000382 0.000554 -0.000302 0.000462 -0.000002 0.000006 31O 1f-3 -0.000187 -0.000362 0.000129 -0.000230 0.000278 -0.000067 32O 1s 0.000113 0.000056 0.000533 0.000760 0.016956 0.023316 32O 2s 0.000298 0.000073 0.001365 0.001901 0.042444 0.057926 32O 3s -0.000799 0.000846 -0.003003 -0.003847 -0.087084 -0.113298 32O 4s 0.000596 -0.004403 0.001084 -0.002161 -0.046256 -0.093656 32O 5s -0.006738 0.011022 -0.027295 -0.014809 -0.361725 -0.427560 32O 1pz 0.007391 0.003579 0.000735 -0.000421 -0.012006 -0.019917 32O 1px 0.003080 0.001070 0.002044 -0.000239 0.023992 0.043864 32O 1py -0.004014 0.008874 -0.001518 -0.001653 -0.045321 -0.067107 32O 2pz 0.002883 0.000800 -0.000318 -0.000489 -0.011519 -0.014840 32O 2px 0.000729 0.001631 0.001263 0.000729 0.023952 0.031051 32O 2py -0.002791 0.005889 -0.001050 -0.001724 -0.037221 -0.050246 32O 3pz 0.019470 0.010345 0.004295 -0.000213 -0.013162 -0.046499 32O 3px 0.011941 -0.001345 0.010464 -0.004005 0.024819 0.108177 32O 3py -0.007789 0.015007 -0.010952 -0.001153 -0.059056 -0.099238 32O 1dz2 0.000209 0.000075 0.000027 0.000025 0.000886 0.001108 32O 1dxz -0.000233 -0.000086 0.000082 0.000013 0.000700 0.000801 32O 1dyz 0.000017 0.000113 -0.000022 -0.000001 -0.000077 -0.000140 32O 1dx2y2 -0.000110 -0.000044 -0.000073 0.000015 -0.000266 -0.000087 32O 1dxy 0.000104 -0.000271 -0.000081 0.000004 -0.000088 0.000080 32O 2dz2 0.000278 -0.000216 0.000218 0.000102 0.003796 0.006486 32O 2dxz -0.000444 -0.000200 -0.000106 0.000068 0.002683 0.004687 32O 2dyz 0.000195 0.000197 -0.000227 0.000023 -0.000266 -0.000579 32O 2dx2y2 0.000024 -0.000209 0.000689 -0.000056 0.000257 0.000288 32O 2dxy 0.000471 -0.000489 0.000554 -0.000076 -0.000907 -0.002120 32O 1f0 0.000058 -0.000005 -0.000090 -0.000013 0.000078 0.000145 32O 1f+1 0.000075 0.000069 0.000084 -0.000011 -0.000063 -0.000081 32O 1f-1 -0.000035 0.000064 -0.000081 -0.000005 -0.000002 0.000170 32O 1f+2 0.000008 -0.000004 0.000050 -0.000002 -0.000019 0.000021 32O 1f-2 -0.000035 0.000025 -0.000079 -0.000017 0.000023 0.000195 32O 1f+3 0.000056 -0.000098 0.000002 0.000004 0.000018 0.000118 32O 1f-3 0.000008 -0.000037 0.000017 0.000005 0.000094 0.000164 33O 1s -0.001684 -0.002469 -0.000008 0.000578 0.009735 -0.005831 33O 2s -0.004165 -0.006103 -0.000024 0.001420 0.023992 -0.014404 33O 3s 0.008170 0.012012 0.000129 -0.002517 -0.044297 0.026164 33O 4s 0.002973 0.003574 -0.000533 -0.003996 -0.051989 0.026964 33O 5s 0.046810 0.068134 0.001737 0.002513 0.009055 0.118020 33O 1pz -0.070863 0.029530 0.057896 0.059375 0.006590 -0.012065 33O 1px -0.040998 0.024927 0.036650 0.037806 0.000136 0.026520 33O 1py 0.098354 -0.074552 -0.095386 -0.095670 0.015943 -0.003865 33O 2pz -0.059986 0.025153 0.048040 0.050982 0.009524 0.002260 33O 2px -0.034522 0.021565 0.030320 0.032544 0.000765 0.011929 33O 2py 0.083615 -0.063699 -0.079293 -0.082120 0.016985 0.000005 33O 3pz -0.094133 0.022605 0.074018 0.072472 0.047157 -0.041605 33O 3px -0.051993 0.025568 0.047183 0.037659 -0.078028 -0.009348 33O 3py 0.113481 -0.097802 -0.122194 -0.111782 0.009319 -0.033534 33O 1dz2 0.001746 -0.001430 -0.001380 -0.001396 -0.000100 -0.000120 33O 1dxz -0.000310 0.000380 0.000395 0.000340 0.000174 0.000397 33O 1dyz -0.001625 0.000611 0.001061 0.001024 -0.000365 -0.000363 33O 1dx2y2 -0.000157 0.000080 0.000245 0.000096 -0.000169 -0.000390 33O 1dxy 0.001791 -0.001165 -0.001426 -0.001354 -0.000030 -0.000124 33O 2dz2 0.007664 -0.004284 -0.004637 -0.005102 0.000087 -0.001321 33O 2dxz 0.000557 0.000315 0.000357 -0.000129 -0.005413 0.001209 33O 2dyz -0.004132 0.005510 0.003668 0.003679 -0.001650 0.000132 33O 2dx2y2 0.001346 -0.000386 0.000124 0.000028 0.003478 0.000889 33O 2dxy 0.006404 -0.002534 -0.004660 -0.004636 -0.000512 0.001925 33O 1f0 -0.000029 -0.000062 -0.000186 -0.000056 -0.000136 -0.000054 33O 1f+1 -0.000551 0.000559 0.000324 0.000489 -0.000113 0.000031 33O 1f-1 -0.000451 -0.000129 0.000142 0.000208 -0.000038 -0.000041 33O 1f+2 -0.000133 0.000176 -0.000076 0.000121 0.000173 0.000057 33O 1f-2 0.000621 -0.000408 -0.000484 -0.000491 0.000210 -0.000015 33O 1f+3 0.000029 -0.000035 0.000058 -0.000020 0.000132 0.000024 33O 1f-3 0.000674 -0.000319 -0.000356 -0.000484 -0.000027 0.000001 34O 1s -0.002400 0.001594 0.000218 0.000604 0.009721 0.005808 34O 2s -0.005972 0.003937 0.000525 0.001463 0.023994 0.014394 34O 3s 0.012366 -0.007661 -0.000891 -0.002242 -0.044835 -0.027095 34O 4s 0.000152 -0.002825 -0.001392 -0.005423 -0.047182 -0.022160 34O 5s 0.077938 -0.046409 0.001842 -0.000593 -0.025097 -0.106087 34O 1pz -0.076842 -0.104649 0.097071 -0.101750 0.010851 -0.005435 34O 1px -0.020226 -0.019755 0.020633 -0.021581 0.004264 0.026909 34O 1py -0.038159 -0.083447 0.066358 -0.072534 -0.006933 -0.003889 34O 2pz -0.065678 -0.088560 0.080495 -0.086813 0.014732 -0.005554 34O 2px -0.017796 -0.017202 0.018300 -0.019561 0.003384 0.010480 34O 2py -0.031911 -0.069845 0.054200 -0.061384 -0.012199 0.000905 34O 3pz -0.094262 -0.118325 0.120696 -0.116989 -0.019530 0.029499 34O 3px -0.024487 -0.017022 0.021394 -0.017101 0.080107 0.015637 34O 3py -0.033793 -0.108977 0.087532 -0.084615 0.013595 -0.042680 34O 1dz2 0.000374 0.000179 -0.000068 0.000191 0.000163 -0.000365 34O 1dxz 0.001352 0.002348 -0.001706 0.001732 0.000017 -0.000158 34O 1dyz -0.000297 -0.000944 0.000527 -0.000585 0.000240 -0.000351 34O 1dx2y2 0.000589 0.000935 -0.000621 0.000668 -0.000097 0.000358 34O 1dxy 0.001143 0.001209 -0.001088 0.001016 0.000052 -0.000246 34O 2dz2 0.001444 0.003734 -0.001529 0.001965 -0.002107 -0.000441 34O 2dxz 0.005434 0.008580 -0.006116 0.006581 -0.002258 0.001775 34O 2dyz -0.004293 -0.001923 0.001935 -0.002142 0.001908 0.001484 34O 2dx2y2 0.002760 0.005699 -0.003113 0.004038 0.004618 0.000696 34O 2dxy 0.002361 0.004444 -0.003346 0.003546 -0.000772 -0.002454 34O 1f0 -0.000195 -0.000757 0.000359 -0.000501 0.000061 -0.000044 34O 1f+1 -0.000045 -0.000272 0.000099 -0.000148 -0.000046 -0.000010 34O 1f-1 0.000150 0.000239 0.000110 0.000152 -0.000077 0.000013 34O 1f+2 0.000567 0.000630 -0.000508 0.000566 -0.000193 0.000007 34O 1f-2 -0.000023 -0.000307 0.000229 -0.000190 0.000162 -0.000018 34O 1f+3 -0.000347 -0.000300 0.000247 -0.000320 -0.000167 0.000041 34O 1f-3 -0.000455 -0.000409 0.000227 -0.000379 0.000023 0.000044 35O 1s -0.001618 -0.002519 -0.000025 0.000597 0.010399 0.007827 35O 2s -0.004010 -0.006262 -0.000095 0.001485 0.025675 0.019377 35O 3s 0.008078 0.012852 0.000613 -0.002850 -0.047981 -0.036634 35O 4s 0.001502 0.000469 -0.002140 -0.002151 -0.048702 -0.029400 35O 5s 0.042728 0.087893 0.011864 -0.012639 -0.057297 -0.129453 35O 1pz -0.074634 0.032731 0.061563 0.062570 0.002245 -0.003448 35O 1px -0.042419 0.022583 0.036903 0.037531 0.003183 0.028570 35O 1py 0.104143 -0.078709 -0.099847 -0.101181 0.013451 0.004804 35O 2pz -0.062776 0.026564 0.050174 0.053331 0.010305 -0.004878 35O 2px -0.036600 0.018721 0.031206 0.030954 0.000210 0.016201 35O 2py 0.087994 -0.067505 -0.082668 -0.086885 0.015990 0.000076 35O 3pz -0.096373 0.031859 0.081249 0.068942 -0.041383 0.038052 35O 3px -0.056389 0.031135 0.049475 0.046379 0.067616 0.006552 35O 3py 0.114125 -0.094146 -0.124362 -0.114545 0.012913 0.022001 35O 1dz2 0.000681 -0.000503 -0.000411 -0.000542 -0.000150 -0.000246 35O 1dxz 0.001279 -0.001065 -0.001066 -0.000991 0.000126 -0.000273 35O 1dyz -0.000116 -0.000365 -0.000177 -0.000099 -0.000186 0.000252 35O 1dx2y2 0.001854 -0.001252 -0.001376 -0.001347 0.000102 0.000574 35O 1dxy -0.001630 0.000766 0.001251 0.001129 -0.000137 0.000396 35O 2dz2 0.005682 -0.002076 -0.002874 -0.003234 -0.002837 -0.001931 35O 2dxz 0.005552 -0.004137 -0.004032 -0.004550 -0.000408 0.002555 35O 2dyz 0.000450 0.002682 0.000126 0.000124 -0.001854 -0.000654 35O 2dx2y2 0.007818 -0.004897 -0.005459 -0.006032 0.003939 0.000297 35O 2dxy -0.004828 0.003728 0.004204 0.003945 0.001493 0.002396 35O 1f0 -0.000615 0.000514 0.000233 0.000531 0.000020 -0.000006 35O 1f+1 0.000034 -0.000011 -0.000076 -0.000044 -0.000206 -0.000112 35O 1f-1 0.000090 -0.000364 -0.000155 -0.000180 0.000037 -0.000022 35O 1f+2 0.000268 -0.000136 -0.000344 -0.000228 0.000053 0.000037 35O 1f-2 -0.000027 -0.000269 -0.000163 -0.000104 -0.000101 0.000000 35O 1f+3 -0.001040 0.000526 0.000686 0.000804 -0.000150 0.000024 35O 1f-3 0.000463 -0.000116 -0.000210 -0.000252 -0.000084 -0.000108 126 127 128 129 130 131 0.04712 0.05448 0.05509 0.07265 0.10405 0.10669 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s -0.000827 -0.000020 -0.000268 0.000020 0.000489 -0.000872 0Rh 2s 0.003142 -0.000250 0.000827 -0.000077 -0.001828 0.003880 0Rh 3s -0.002854 -0.000272 -0.001044 0.000066 0.001711 -0.002661 0Rh 4s -0.013695 0.001247 -0.003498 0.000341 0.007975 -0.017215 0Rh 5s 0.011285 -0.003633 0.001147 -0.000321 -0.006340 0.018586 0Rh 6s 0.021128 0.007886 0.012239 -0.000350 -0.013526 0.011072 0Rh 7s 0.133721 -0.012596 0.034918 0.014187 0.011186 -0.082901 0Rh 8s -0.342951 -0.288902 -0.431539 -0.038411 -0.003442 0.958828 0Rh 1pz 0.002492 0.003557 -0.000584 0.000048 -0.000113 0.000354 0Rh 1px -0.008703 0.000998 -0.000362 0.000289 0.002185 0.002429 0Rh 1py -0.001481 0.000605 0.003742 0.000138 0.000239 0.000079 0Rh 2pz -0.008476 -0.012192 0.002003 -0.000160 0.000471 -0.001119 0Rh 2px 0.029733 -0.003383 0.001287 -0.000980 -0.007485 -0.008389 0Rh 2py 0.005082 -0.002080 -0.012813 -0.000488 -0.000835 -0.000300 0Rh 3pz 0.006609 0.011197 -0.001834 0.000063 -0.001955 -0.000781 0Rh 3px -0.025568 0.002394 -0.002032 0.000712 0.006715 0.008773 0Rh 3py -0.004789 0.002040 0.011525 0.000717 0.001044 0.000805 0Rh 4pz 0.013204 0.012660 -0.002102 0.000450 0.004848 0.007891 0Rh 4px -0.037590 0.006110 0.001740 0.001708 0.008553 0.004945 0Rh 4py -0.004912 0.001697 0.014256 -0.000517 -0.000076 -0.001628 0Rh 5pz -0.001524 0.011873 -0.002203 -0.000540 -0.006733 -0.011126 0Rh 5px -0.008561 -0.001426 -0.007068 -0.000355 0.005319 0.015807 0Rh 5py -0.004486 0.003123 0.010401 0.001979 0.002065 0.003479 0Rh 6pz -0.059573 -0.236655 0.046703 0.046917 0.087628 0.126145 0Rh 6px 0.123716 0.011108 0.110720 -0.005707 -0.044424 -0.346841 0Rh 6py 0.085914 -0.059516 -0.205857 0.058384 -0.023190 -0.039240 0Rh 1dz2 0.002033 -0.000603 0.000597 0.005800 0.000128 -0.000513 0Rh 1dxz 0.002749 0.002717 0.000492 -0.000221 -0.002934 0.000375 0Rh 1dyz 0.000781 0.001486 0.000380 0.012525 -0.000093 0.000989 0Rh 1dx2y2 -0.003696 0.000413 -0.001326 0.002415 0.001952 -0.000488 0Rh 1dxy -0.000840 0.000506 0.003217 0.005324 0.001106 0.001206 0Rh 2dz2 -0.000063 0.000318 0.000029 -0.000307 0.000118 0.000093 0Rh 2dxz -0.000068 -0.000485 -0.000063 0.000098 -0.000090 -0.000074 0Rh 2dyz -0.000076 -0.000065 0.000310 -0.000734 -0.000007 -0.000040 0Rh 2dx2y2 0.000124 -0.000163 0.000311 -0.000083 -0.000216 -0.000092 0Rh 2dxy 0.000154 -0.000081 -0.000518 -0.000239 -0.000098 -0.000183 0Rh 3dz2 -0.003169 -0.000237 -0.001129 -0.008602 -0.000705 0.000543 0Rh 3dxz -0.004366 -0.002700 -0.000577 -0.000024 0.005400 -0.000351 0Rh 3dyz -0.001010 -0.002263 -0.001889 -0.018269 0.000214 -0.001506 0Rh 3dx2y2 0.005723 -0.000052 0.001006 -0.003766 -0.002456 0.001189 0Rh 3dxy 0.000790 -0.000539 -0.003429 -0.008070 -0.001493 -0.001338 0Rh 4dz2 -0.003695 0.004781 -0.000376 -0.012523 0.001254 0.001576 0Rh 4dxz -0.004820 -0.009771 -0.001504 0.001483 0.002953 -0.001445 0Rh 4dyz -0.002033 -0.002837 0.003536 -0.027951 -0.000436 -0.002425 0Rh 4dx2y2 0.006830 -0.002646 0.005721 -0.004697 -0.005560 -0.000285 0Rh 4dxy 0.002996 -0.001669 -0.010779 -0.010998 -0.002895 -0.004070 0Rh 5dz2 -0.002344 -0.017675 -0.007670 0.001069 -0.006561 0.000914 0Rh 5dxz -0.002677 0.016387 0.001383 -0.004074 0.017140 0.001967 0Rh 5dyz 0.001025 -0.005713 -0.027138 0.007516 0.007172 0.005905 0Rh 5dx2y2 0.002863 0.008996 -0.012258 -0.000715 0.005807 0.005359 0Rh 5dxy -0.005046 0.001663 0.013956 -0.000984 0.002622 0.007515 0Rh 1f0 -0.000392 0.000301 0.000308 0.000124 -0.000311 0.000230 0Rh 1f+1 0.000361 0.001012 -0.000097 -0.000223 0.000056 0.000277 0Rh 1f-1 0.000106 0.000560 0.000506 0.000178 -0.000080 -0.000111 0Rh 1f+2 0.000589 -0.001182 -0.000053 0.000051 -0.000547 -0.001245 0Rh 1f-2 0.000046 -0.000143 0.000895 -0.000129 0.000261 -0.000141 0Rh 1f+3 0.000436 0.000443 -0.000928 0.000019 -0.000267 0.000154 0Rh 1f-3 0.000109 0.000186 0.001002 0.000113 -0.000334 -0.000375 1Rh 1s -0.000819 0.000017 0.000282 0.000018 0.000471 0.000873 1Rh 2s 0.003126 0.000258 -0.000882 -0.000073 -0.001756 -0.003884 1Rh 3s -0.002820 0.000262 0.001088 0.000057 0.001651 0.002666 1Rh 4s -0.013633 -0.001280 0.003739 0.000324 0.007659 0.017234 1Rh 5s 0.011342 0.003641 -0.001374 -0.000335 -0.006049 -0.018596 1Rh 6s 0.020626 -0.007759 -0.012510 -0.000220 -0.013130 -0.011124 1Rh 7s 0.134183 0.013823 -0.038244 0.014435 0.009605 0.083110 1Rh 8s -0.333069 0.284803 0.439225 -0.044734 0.006713 -0.959184 1Rh 1pz -0.002498 0.003566 -0.000556 -0.000058 0.000112 0.000330 1Rh 1px 0.008710 0.000980 -0.000440 -0.000295 -0.002221 0.002434 1Rh 1py 0.001502 0.000603 0.003732 -0.000127 -0.000267 0.000123 1Rh 2pz 0.008499 -0.012223 0.001906 0.000193 -0.000471 -0.001035 1Rh 2px -0.029755 -0.003323 0.001555 0.001000 0.007608 -0.008405 1Rh 2py -0.005155 -0.002073 -0.012781 0.000448 0.000929 -0.000448 1Rh 3pz -0.006646 0.011225 -0.001747 -0.000106 0.001991 -0.000836 1Rh 3px 0.025549 0.002357 -0.002285 -0.000718 -0.006824 0.008782 1Rh 3py 0.004847 0.002030 0.011501 -0.000663 -0.001093 0.000903 1Rh 4pz -0.013176 0.012695 -0.001995 -0.000437 -0.004979 0.007726 1Rh 4px 0.037764 0.005985 0.001480 -0.001775 -0.008702 0.004989 1Rh 4py 0.005024 0.001706 0.014203 0.000499 -0.000165 -0.001336 1Rh 5pz 0.001432 0.011878 -0.002146 0.000394 0.006958 -0.011108 1Rh 5px 0.008276 -0.001363 -0.007270 0.000431 -0.005371 0.015734 1Rh 5py 0.004480 0.003087 0.010399 -0.001836 -0.001893 0.003359 1Rh 6pz 0.059744 -0.235374 0.046029 -0.044446 -0.090091 0.126543 1Rh 6px -0.119958 0.011617 0.111829 0.004634 0.046843 -0.346916 1Rh 6py -0.086428 -0.058550 -0.203662 -0.060057 0.022751 -0.037021 1Rh 1dz2 0.002008 0.000636 -0.000653 0.005781 -0.000050 0.000603 1Rh 1dxz 0.002727 -0.002704 -0.000530 -0.000231 -0.002979 -0.000361 1Rh 1dyz 0.000816 -0.001465 -0.000412 0.012522 -0.000163 -0.001001 1Rh 1dx2y2 -0.003639 -0.000418 0.001399 0.002400 0.001855 0.000506 1Rh 1dxy -0.000853 -0.000493 -0.003209 0.005322 0.001050 -0.001121 1Rh 2dz2 -0.000061 -0.000315 -0.000022 -0.000306 0.000119 -0.000090 1Rh 2dxz -0.000066 0.000484 0.000066 0.000096 -0.000092 0.000069 1Rh 2dyz -0.000081 0.000061 -0.000306 -0.000733 -0.000004 0.000035 1Rh 2dx2y2 0.000116 0.000165 -0.000313 -0.000084 -0.000217 0.000092 1Rh 2dxy 0.000157 0.000077 0.000516 -0.000235 -0.000098 0.000181 1Rh 3dz2 -0.003134 0.000172 0.001197 -0.008575 -0.000403 -0.000708 1Rh 3dxz -0.004336 0.002681 0.000633 -0.000003 0.005487 0.000345 1Rh 3dyz -0.001050 0.002242 0.001928 -0.018270 0.000324 0.001549 1Rh 3dx2y2 0.005658 0.000053 -0.001123 -0.003740 -0.002285 -0.001223 1Rh 3dxy 0.000801 0.000532 0.003424 -0.008084 -0.001398 0.001204 1Rh 4dz2 -0.003642 -0.004809 0.000535 -0.012484 0.001520 -0.001682 1Rh 4dxz -0.004766 0.009744 0.001589 0.001481 0.002998 0.001370 1Rh 4dyz -0.002149 0.002760 -0.003439 -0.027927 -0.000332 0.002357 1Rh 4dx2y2 0.006655 0.002669 -0.005850 -0.004679 -0.005429 0.000254 1Rh 4dxy 0.003048 0.001608 0.010749 -0.010947 -0.002817 0.003911 1Rh 5dz2 -0.002272 0.017516 0.007512 0.001007 -0.005924 -0.001173 1Rh 5dxz -0.002710 -0.016394 -0.001387 -0.003951 0.017347 -0.001748 1Rh 5dyz 0.001263 0.005870 0.026962 0.007298 0.007673 -0.005225 1Rh 5dx2y2 0.003025 -0.008971 0.012128 -0.000700 0.006132 -0.005302 1Rh 5dxy -0.005137 -0.001511 -0.013902 -0.001227 0.002892 -0.007582 1Rh 1f0 0.000393 0.000301 0.000302 -0.000137 0.000266 0.000286 1Rh 1f+1 -0.000366 0.001011 -0.000092 0.000220 -0.000032 0.000250 1Rh 1f-1 -0.000103 0.000562 0.000511 -0.000173 0.000082 -0.000112 1Rh 1f+2 -0.000591 -0.001185 -0.000046 -0.000052 0.000577 -0.001249 1Rh 1f-2 -0.000048 -0.000141 0.000897 0.000129 -0.000281 -0.000135 1Rh 1f+3 -0.000448 0.000449 -0.000929 -0.000025 0.000239 0.000190 1Rh 1f-3 -0.000098 0.000186 0.001002 -0.000109 0.000323 -0.000372 2C 1s -0.014348 0.027337 0.013264 0.023403 -0.002568 -0.004596 2C 2s -0.032082 0.061714 0.029775 0.052800 -0.005652 -0.010352 2C 3s 0.081658 -0.166938 -0.074757 -0.139949 0.011558 0.029069 2C 4s -0.046689 0.142083 0.035674 0.101960 -0.002508 -0.048234 2C 5s 1.834717 -3.956069 -1.854787 -3.132467 0.317550 0.606007 2C 1pz -0.015738 0.042981 0.009662 0.050250 0.009414 0.016558 2C 1px -0.019994 0.024894 0.008979 0.012620 -0.063953 -0.086420 2C 1py -0.009880 0.017377 0.024132 0.031432 0.012046 0.000259 2C 2pz 0.017537 -0.058750 -0.033948 -0.034761 -0.001933 -0.018800 2C 2px 0.015063 -0.012726 -0.008143 -0.001652 0.000129 -0.010008 2C 2py 0.011516 -0.041864 -0.024402 -0.029308 -0.005927 -0.017015 2C 3pz 0.096123 -0.181457 -0.133422 -0.106429 0.183567 0.239960 2C 3px -0.172858 0.076142 0.003199 -0.041723 -0.502996 -0.503015 2C 3py 0.090673 -0.192831 -0.032678 -0.077335 0.138402 0.138300 2C 1dz2 0.000869 -0.001691 -0.000500 -0.000582 -0.001186 -0.000793 2C 1dxz -0.000929 0.000485 0.000619 0.000087 -0.003196 -0.006352 2C 1dyz 0.002122 -0.002311 -0.001511 -0.000576 0.001068 0.000820 2C 1dx2y2 0.000947 -0.000292 0.000073 0.000312 0.003354 0.004345 2C 1dxy 0.000668 -0.000409 -0.000126 0.000148 0.000376 -0.001695 2C 2dz2 0.012809 -0.028682 -0.018595 -0.033615 0.002817 0.000969 2C 2dxz 0.001959 -0.015191 -0.022472 -0.023580 -0.035810 -0.032650 2C 2dyz 0.022001 -0.051868 -0.023387 -0.054711 0.019648 0.024267 2C 2dx2y2 -0.000003 0.013460 -0.000221 0.016318 0.020988 0.031481 2C 2dxy 0.001871 -0.020264 0.002261 -0.016260 -0.000075 -0.004504 2C 1f0 -0.000728 0.003121 0.000261 0.002480 0.001342 0.002484 2C 1f+1 0.000309 -0.001139 0.000579 -0.000760 0.001877 0.001654 2C 1f-1 -0.000978 0.000740 0.000292 -0.000968 -0.001564 -0.002396 2C 1f+2 0.002507 -0.006196 -0.002822 -0.005298 -0.002363 -0.002042 2C 1f-2 -0.003406 0.007057 0.001881 0.005528 -0.001984 -0.002607 2C 1f+3 0.003758 -0.007935 -0.004971 -0.008015 -0.000210 0.000842 2C 1f-3 0.001246 -0.001865 -0.000281 -0.001274 0.003357 0.003965 3C 1s -0.015287 0.013000 -0.027737 -0.022547 0.005403 -0.004821 3C 2s -0.034291 0.029161 -0.062598 -0.050828 0.012226 -0.010778 3C 3s 0.089594 -0.074118 0.169961 0.134842 -0.030579 0.027195 3C 4s -0.062406 0.036562 -0.147193 -0.096662 0.020183 -0.025778 3C 5s 2.047372 -1.810728 3.998607 2.962307 -0.913711 0.711575 3C 1pz -0.002085 0.017876 -0.006375 -0.024326 0.006191 0.013309 3C 1px -0.013709 0.016656 -0.019825 -0.020760 -0.041362 -0.039405 3C 1py 0.024033 -0.010770 0.049346 0.049498 -0.031862 0.003581 3C 2pz 0.008745 -0.026982 0.037637 0.028896 -0.003072 -0.010562 3C 2px 0.015234 -0.012645 0.026098 0.009942 0.003284 -0.014402 3C 2py -0.023237 0.035326 -0.057604 -0.030679 0.004157 0.008098 3C 3pz 0.167212 -0.035578 0.255930 0.050401 -0.056836 0.221384 3C 3px -0.037700 0.009585 0.003668 0.055603 -0.439787 -0.127195 3C 3py -0.051506 0.126660 -0.161895 -0.103792 -0.001235 -0.126451 3C 1dz2 -0.000838 -0.000090 -0.000816 0.000151 0.000313 0.000470 3C 1dxz -0.000714 -0.000079 -0.000250 0.000449 -0.003045 -0.003753 3C 1dyz -0.002312 0.001646 -0.002461 -0.000381 -0.001876 -0.000844 3C 1dx2y2 -0.000619 0.000254 -0.000805 -0.000576 -0.000834 0.000783 3C 1dxy -0.000253 0.000349 -0.000692 -0.000197 -0.001537 0.002481 3C 2dz2 -0.006647 0.003959 -0.016142 -0.014311 0.011456 -0.001629 3C 2dxz 0.006817 0.000071 0.017914 0.016566 -0.038757 -0.013826 3C 2dyz -0.018313 0.013470 -0.049922 -0.047105 0.004466 -0.014423 3C 2dx2y2 -0.012085 0.027616 -0.025621 -0.032116 0.001824 -0.002010 3C 2dxy -0.014074 0.022216 -0.028532 -0.033802 0.010942 -0.002878 3C 1f0 -0.002124 0.003866 -0.004212 -0.005226 0.000390 -0.000452 3C 1f+1 -0.000847 0.000941 -0.001648 -0.001592 0.002204 0.001250 3C 1f-1 -0.002365 0.001233 -0.005184 -0.004274 0.002346 -0.000807 3C 1f+2 0.004777 -0.004024 0.009510 0.007348 -0.000462 0.001443 3C 1f-2 0.003123 -0.002467 0.005975 0.004426 -0.001759 0.000197 3C 1f+3 0.000248 0.000816 0.001352 0.001487 -0.002982 -0.000675 3C 1f-3 -0.000785 0.000687 -0.001863 -0.001787 -0.001801 -0.002092 4C 1s -0.003185 -0.004007 -0.001628 -0.002809 0.000275 -0.000254 4C 2s -0.006641 -0.009458 -0.003838 -0.006238 0.000690 -0.000489 4C 3s 0.016251 0.008649 -0.001944 -0.009217 0.008592 0.005680 4C 4s 0.046897 0.056287 0.050090 0.138049 -0.036436 0.003739 4C 5s -0.825129 1.727057 0.899660 1.170805 -0.230779 -0.237067 4C 1pz 0.010010 0.001832 -0.001494 -0.002434 0.011879 0.020569 4C 1px 0.005528 0.001066 -0.004463 0.001754 0.007349 -0.007881 4C 1py 0.001929 0.004981 0.006080 -0.005126 -0.000270 0.010095 4C 2pz 0.008987 0.001092 -0.019764 -0.041541 -0.022836 0.007502 4C 2px -0.013099 0.009312 -0.005226 0.009751 0.062704 0.007934 4C 2py -0.005624 -0.007865 0.027387 -0.027883 0.005835 0.010374 4C 3pz 0.325088 -0.727740 -0.284354 -0.421306 0.024479 0.184068 4C 3px 0.117075 -0.057836 0.098640 0.043313 0.450956 0.087402 4C 3py 0.213784 -0.358389 -0.303106 -0.234060 0.101388 0.082000 4C 1dz2 0.000980 -0.001270 -0.001615 -0.000408 -0.000380 -0.001647 4C 1dxz -0.001023 0.002560 0.000723 0.002013 0.001857 0.002824 4C 1dyz 0.003686 -0.006461 -0.002936 -0.002552 0.000910 0.000295 4C 1dx2y2 0.002855 -0.004555 -0.002849 -0.002969 0.001103 0.000968 4C 1dxy 0.002348 -0.004184 -0.001676 -0.001851 0.001749 0.002236 4C 2dz2 0.002167 0.024374 0.015352 0.019633 -0.010963 0.005468 4C 2dxz 0.003673 0.007616 0.003334 0.008840 0.044678 0.043102 4C 2dyz -0.001127 0.026324 0.014849 0.030461 0.004753 0.010149 4C 2dx2y2 -0.007662 -0.019141 -0.004396 -0.010438 -0.009895 -0.016269 4C 2dxy -0.000597 -0.001380 -0.003861 0.003893 0.016722 0.020369 4C 1f0 0.000029 0.000059 -0.000264 -0.000549 0.000282 0.000904 4C 1f+1 -0.000177 0.000786 0.000796 -0.000648 0.002132 0.000685 4C 1f-1 0.000489 -0.000619 -0.000892 -0.000870 -0.000158 -0.000277 4C 1f+2 -0.000065 0.000326 0.000102 0.000885 -0.002829 -0.002083 4C 1f-2 -0.000305 0.000791 -0.000822 -0.000019 0.000903 0.000001 4C 1f+3 0.000295 -0.000392 0.001353 -0.000152 -0.000667 -0.001137 4C 1f-3 0.000415 0.001283 -0.001002 -0.000818 0.000113 0.001443 5C 1s -0.002947 -0.001950 0.003900 0.003082 0.000713 -0.001116 5C 2s -0.006108 -0.004577 0.009183 0.006795 0.001882 -0.002533 5C 3s 0.015923 0.001754 -0.003383 0.008441 -0.018405 0.011257 5C 4s 0.040356 0.044568 -0.084649 -0.143984 0.074104 -0.008049 5C 5s -0.913546 0.863028 -1.771575 -1.049302 0.281699 -0.274084 5C 1pz -0.004076 0.006274 -0.003270 0.003641 -0.005415 0.002353 5C 1px -0.003051 0.000675 -0.004580 0.002806 -0.001421 -0.012456 5C 1py -0.015345 0.000572 -0.001171 -0.001538 0.017383 -0.028135 5C 2pz -0.005026 0.017631 0.003593 0.026599 -0.032983 -0.003696 5C 2px -0.005932 0.024369 0.005553 0.006720 0.045188 0.003854 5C 2py -0.009507 0.026107 0.007520 -0.037497 0.037329 -0.029291 5C 3pz 0.206584 -0.313312 0.323341 0.243957 -0.220394 0.151020 5C 3px 0.076613 -0.105847 0.244613 0.090230 0.231720 -0.017729 5C 3py -0.395188 0.232123 -0.700601 -0.364522 0.339443 -0.237835 5C 1dz2 -0.003120 0.003074 -0.004879 -0.002429 -0.000929 -0.000647 5C 1dxz -0.001360 0.001649 -0.002031 -0.001737 -0.000324 0.000725 5C 1dyz -0.004223 0.003060 -0.007206 -0.002953 -0.000588 0.001461 5C 1dx2y2 0.001148 -0.000213 0.002101 0.001597 0.002201 0.000838 5C 1dxy -0.001033 0.000963 -0.001515 0.000035 -0.001727 -0.002065 5C 2dz2 0.004148 -0.002173 0.000220 0.003169 -0.019105 0.004481 5C 2dxz 0.006057 0.007233 -0.009379 -0.009402 0.020474 0.016541 5C 2dyz 0.003619 -0.009317 0.026045 0.026019 0.005286 -0.003015 5C 2dx2y2 -0.001475 -0.015483 0.025405 0.021029 0.018235 -0.008197 5C 2dxy -0.001355 -0.015652 0.009421 0.014730 -0.018855 -0.016970 5C 1f0 -0.000224 0.000366 -0.000487 -0.000196 0.000317 0.000656 5C 1f+1 -0.000051 -0.001255 -0.001047 0.000459 -0.000986 0.000547 5C 1f-1 -0.000505 -0.000326 -0.000736 -0.000214 0.001389 -0.000589 5C 1f+2 -0.000316 0.001300 -0.000225 -0.000438 0.000132 -0.000294 5C 1f-2 -0.000186 -0.000716 -0.000674 -0.000752 -0.000346 -0.000966 5C 1f+3 -0.000366 -0.000332 -0.000505 0.000966 -0.002059 0.000377 5C 1f-3 -0.000541 -0.000977 -0.000540 -0.000793 0.001484 -0.002011 6C 1s -0.002959 0.001966 -0.003889 0.003051 0.000733 0.001116 6C 2s -0.006136 0.004610 -0.009162 0.006726 0.001926 0.002537 6C 3s 0.015919 -0.001727 0.003398 0.008454 -0.018320 -0.011487 6C 4s 0.040401 -0.045047 0.083733 -0.142997 0.072911 0.008771 6C 5s -0.904602 -0.860523 1.778582 -1.039925 0.280875 0.287301 6C 1pz 0.003734 0.006130 -0.003300 -0.003458 0.005620 0.002977 6C 1px 0.002969 0.000628 -0.004582 -0.002728 0.001594 -0.012634 6C 1py 0.015099 0.000427 -0.001191 0.001542 -0.017239 -0.028427 6C 2pz 0.004895 0.017623 0.003773 -0.026290 0.033330 -0.002711 6C 2px 0.005817 0.024484 0.005201 -0.006684 -0.044792 0.001780 6C 2py 0.009448 0.025662 0.007188 0.037304 -0.037127 -0.030059 6C 3pz -0.205531 -0.313012 0.326985 -0.240708 0.218281 0.161261 6C 3px -0.074046 -0.105849 0.245165 -0.086947 -0.226883 -0.022478 6C 3py 0.389190 0.231825 -0.706404 0.360811 -0.341339 -0.250877 6C 1dz2 -0.003094 -0.003064 0.004898 -0.002407 -0.000926 0.000656 6C 1dxz -0.001353 -0.001652 0.002049 -0.001732 -0.000331 -0.000751 6C 1dyz -0.004183 -0.003067 0.007258 -0.002939 -0.000606 -0.001467 6C 1dx2y2 0.001139 0.000224 -0.002115 0.001585 0.002207 -0.000795 6C 1dxy -0.001025 -0.000961 0.001518 0.000045 -0.001717 0.002060 6C 2dz2 0.004156 0.002135 -0.000071 0.003138 -0.018625 -0.004716 6C 2dxz 0.006179 -0.007123 0.009478 -0.009284 0.020269 -0.016078 6C 2dyz 0.003594 0.009338 -0.026047 0.025938 0.005269 0.003309 6C 2dx2y2 -0.001695 0.015297 -0.025716 0.020993 0.018113 0.008963 6C 2dxy -0.001491 0.015504 -0.009425 0.014464 -0.018784 0.016363 6C 1f0 0.000209 0.000358 -0.000500 0.000187 -0.000313 0.000648 6C 1f+1 0.000034 -0.001263 -0.001057 -0.000450 0.000995 0.000606 6C 1f-1 0.000491 -0.000322 -0.000731 0.000214 -0.001386 -0.000625 6C 1f+2 0.000327 0.001292 -0.000232 0.000439 -0.000143 -0.000324 6C 1f-2 0.000177 -0.000712 -0.000647 0.000758 0.000346 -0.000937 6C 1f+3 0.000359 -0.000337 -0.000521 -0.000958 0.002009 0.000402 6C 1f-3 0.000544 -0.000967 -0.000523 0.000798 -0.001477 -0.002072 7C 1s -0.003166 0.004013 0.001650 -0.002814 0.000261 0.000225 7C 2s -0.006596 0.009472 0.003883 -0.006253 0.000659 0.000419 7C 3s 0.016221 -0.008703 0.001776 -0.009137 0.008909 -0.005272 7C 4s 0.046653 -0.056269 -0.049824 0.137770 -0.036745 -0.004444 7C 5s -0.832020 -1.723120 -0.895539 1.171317 -0.242843 0.226738 7C 1pz -0.009827 0.002066 -0.001384 0.002338 -0.012535 0.019876 7C 1px -0.005575 0.001244 -0.004316 -0.001781 -0.007057 -0.008075 7C 1py -0.002045 0.004694 0.005964 0.005114 -0.000345 0.010142 7C 2pz -0.008997 0.001251 -0.019568 0.041326 0.022168 0.006762 7C 2px 0.012940 0.009611 -0.005178 -0.009766 -0.062684 0.007557 7C 2py 0.005515 -0.008263 0.027115 0.028147 -0.006516 0.010552 7C 3pz -0.326000 -0.727632 -0.281710 0.423200 -0.032001 0.172345 7C 3px -0.115932 -0.054865 0.100709 -0.047150 -0.456671 0.082589 7C 3py -0.217406 -0.360628 -0.302659 0.233917 -0.110029 0.077339 7C 1dz2 0.000950 0.001218 0.001578 -0.000384 -0.000434 0.001677 7C 1dxz -0.001051 -0.002582 -0.000730 0.002037 0.001916 -0.002742 7C 1dyz 0.003749 0.006481 0.002944 -0.002574 0.000928 -0.000304 7C 1dx2y2 0.002859 0.004504 0.002825 -0.002958 0.001094 -0.000947 7C 1dxy 0.002374 0.004162 0.001664 -0.001847 0.001851 -0.002275 7C 2dz2 0.001876 -0.024318 -0.015371 0.019674 -0.010973 -0.005326 7C 2dxz 0.003765 -0.007424 -0.003268 0.008581 0.045590 -0.042566 7C 2dyz -0.001356 -0.026447 -0.014977 0.030623 0.005054 -0.010173 7C 2dx2y2 -0.007536 0.019374 0.004483 -0.010666 -0.010448 0.016263 7C 2dxy -0.000456 0.001503 0.004033 0.003754 0.017319 -0.020322 7C 1f0 -0.000042 0.000057 -0.000265 0.000538 -0.000362 0.000912 7C 1f+1 0.000177 0.000786 0.000807 0.000639 -0.002150 0.000652 7C 1f-1 -0.000509 -0.000631 -0.000887 0.000873 0.000151 -0.000288 7C 1f+2 0.000056 0.000316 0.000094 -0.000888 0.002898 -0.002016 7C 1f-2 0.000297 0.000785 -0.000821 0.000020 -0.000885 -0.000005 7C 1f+3 -0.000279 -0.000374 0.001364 0.000146 0.000701 -0.001136 7C 1f-3 -0.000409 0.001282 -0.000992 0.000803 -0.000144 0.001401 8C 1s -0.015123 -0.013030 0.027914 -0.022395 0.005378 0.004876 8C 2s -0.033927 -0.029237 0.062996 -0.050487 0.012174 0.010919 8C 3s 0.088677 0.074469 -0.170948 0.133915 -0.030569 -0.027858 8C 4s -0.062030 -0.037633 0.147501 -0.095775 0.020764 0.028209 8C 5s 2.024843 1.814055 -4.021715 2.939280 -0.915056 -0.741077 8C 1pz 0.002230 0.017787 -0.006611 0.024165 -0.005536 0.013493 8C 1px 0.013805 0.016747 -0.020218 0.020596 0.040656 -0.038948 8C 1py -0.023568 -0.010863 0.049404 -0.049260 0.031934 0.003846 8C 2pz -0.008636 -0.026750 0.037740 -0.028528 0.003010 -0.010306 8C 2px -0.015118 -0.012519 0.026193 -0.009763 -0.002947 -0.014253 8C 2py 0.022771 0.035056 -0.057957 0.030594 -0.004012 0.008033 8C 3pz -0.163550 -0.034494 0.256506 -0.049884 0.063409 0.226100 8C 3px 0.038973 0.010496 0.002610 -0.056246 0.431073 -0.122966 8C 3py 0.052372 0.126806 -0.163607 0.100331 0.001504 -0.132085 8C 1dz2 -0.000825 0.000103 0.000834 0.000141 0.000274 -0.000459 8C 1dxz -0.000710 0.000080 0.000256 0.000454 -0.002979 0.003757 8C 1dyz -0.002302 -0.001645 0.002489 -0.000394 -0.001836 0.000873 8C 1dx2y2 -0.000612 -0.000258 0.000820 -0.000585 -0.000847 -0.000849 8C 1dxy -0.000236 -0.000352 0.000687 -0.000200 -0.001525 -0.002579 8C 2dz2 -0.006544 -0.004108 0.016169 -0.014269 0.010977 0.002048 8C 2dxz 0.006733 -0.000254 -0.018112 0.016595 -0.038546 0.013070 8C 2dyz -0.017988 -0.013746 0.049993 -0.046735 0.004394 0.014515 8C 2dx2y2 -0.011938 -0.027216 0.025829 -0.031743 0.001995 0.001827 8C 2dxy -0.014004 -0.022187 0.028788 -0.033656 0.010900 0.002849 8C 1f0 0.002134 0.003860 -0.004293 0.005225 -0.000428 -0.000424 8C 1f+1 0.000748 0.000820 -0.001475 0.001416 -0.002154 0.001240 8C 1f-1 0.002311 0.001229 -0.005156 0.004210 -0.002322 -0.000852 8C 1f+2 -0.004690 -0.004039 0.009500 -0.007256 0.000456 0.001439 8C 1f-2 -0.003153 -0.002520 0.006150 -0.004515 0.001775 0.000261 8C 1f+3 -0.000272 0.000770 0.001437 -0.001564 0.002940 -0.000595 8C 1f-3 0.000728 0.000677 -0.001775 0.001692 0.001822 -0.002059 9C 1s -0.014466 -0.027243 -0.013222 0.023406 -0.002785 0.004493 9C 2s -0.032346 -0.061501 -0.029689 0.052811 -0.006132 0.010116 9C 3s 0.082244 0.166270 0.074768 -0.140011 0.012653 -0.028374 9C 4s -0.046507 -0.141170 -0.036881 0.102247 -0.002962 0.047031 9C 5s 1.849192 3.946288 1.853130 -3.136048 0.345466 -0.579350 9C 1pz 0.015425 0.042435 0.009432 -0.050205 -0.010371 0.017109 9C 1px 0.020228 0.024815 0.009003 -0.012634 0.066471 -0.085391 9C 1py 0.010668 0.017885 0.024539 -0.031593 -0.010950 -0.000704 9C 2pz -0.017781 -0.058922 -0.033705 0.035038 0.002502 -0.019062 9C 2px -0.015169 -0.012490 -0.008096 0.001362 -0.000391 -0.009883 9C 2py -0.012170 -0.041931 -0.024279 0.029142 0.005841 -0.016717 9C 3pz -0.099772 -0.183083 -0.133451 0.104959 -0.199554 0.238317 9C 3px 0.174267 0.075102 0.003788 0.044639 0.522495 -0.496267 9C 3py -0.085444 -0.190542 -0.029526 0.078222 -0.134561 0.124927 9C 1dz2 0.000894 0.001689 0.000505 -0.000592 -0.001173 0.000707 9C 1dxz -0.000941 -0.000508 -0.000624 0.000085 -0.003433 0.006316 9C 1dyz 0.002137 0.002299 0.001512 -0.000567 0.001059 -0.000766 9C 1dx2y2 0.000943 0.000271 -0.000078 0.000345 0.003524 -0.004275 9C 1dxy 0.000673 0.000416 0.000112 0.000152 0.000373 0.001613 9C 2dz2 0.012866 0.028246 0.018239 -0.033120 0.003353 -0.001094 9C 2dxz 0.002007 0.015176 0.022299 -0.023452 -0.036954 0.032909 9C 2dyz 0.022370 0.051844 0.023747 -0.054998 0.020217 -0.023584 9C 2dx2y2 0.000062 -0.013903 0.000660 0.016597 0.021405 -0.031166 9C 2dxy 0.001907 0.020212 -0.002170 -0.016493 0.000263 0.003638 9C 1f0 0.000715 0.003133 0.000233 -0.002523 -0.001387 0.002454 9C 1f+1 -0.000297 -0.001059 0.000587 0.000700 -0.001993 0.001730 9C 1f-1 0.000940 0.000626 0.000296 0.001050 0.001569 -0.002320 9C 1f+2 -0.002650 -0.006437 -0.002905 0.005519 0.002328 -0.001930 9C 1f-2 0.003359 0.006859 0.001832 -0.005390 0.002098 -0.002601 9C 1f+3 -0.003726 -0.007752 -0.004936 0.007883 0.000275 0.000670 9C 1f-3 -0.001416 -0.002167 -0.000483 0.001594 -0.003488 0.003976 10H 1s -0.001178 0.005063 0.002221 0.005476 0.008077 0.014595 10H 2s 0.011224 -0.069041 -0.038020 -0.082499 -0.090094 -0.094136 10H 3s -0.297513 0.978029 0.458739 1.003716 0.674188 0.774797 10H 1pz 0.003162 -0.011462 -0.005449 -0.011930 -0.009329 -0.011232 10H 1px -0.007400 0.022663 0.010958 0.023189 0.015685 0.017759 10H 1py 0.001311 -0.003545 -0.002069 -0.003416 -0.002379 -0.003146 11H 1s -0.005414 0.007192 0.004939 0.006622 -0.004840 -0.007742 11H 2s 0.034964 -0.081692 0.018822 -0.049557 0.069243 0.057289 11H 3s -0.662708 1.252401 0.450856 0.952277 -0.528192 -0.627029 11H 1pz 0.008291 -0.016625 -0.003612 -0.012464 0.010556 0.012294 11H 1px 0.009477 -0.019644 -0.004545 -0.015135 0.008504 0.008732 11H 1py -0.009385 0.017982 0.004630 0.013142 -0.007804 -0.007893 12H 1s -0.004759 0.008104 0.002449 0.006065 -0.002873 -0.005759 12H 2s 0.040678 -0.044239 -0.070335 -0.056931 0.025192 0.056571 12H 3s -0.587293 1.091754 0.630848 0.966931 -0.255068 -0.515258 12H 1pz -0.005305 0.008965 0.005859 0.008092 -0.001076 -0.002149 12H 1px 0.005049 -0.009660 -0.006436 -0.009656 0.000897 0.003528 12H 1py 0.013487 -0.022206 -0.015690 -0.020372 0.007768 0.014498 13H 1s -0.001680 0.001953 -0.004416 -0.005765 0.005616 0.007019 13H 2s 0.033754 -0.043234 0.070061 0.067870 -0.073715 -0.022207 13H 3s -0.434185 0.469298 -0.980451 -0.948641 0.673182 0.240597 13H 1pz 0.008228 -0.008824 0.016903 0.015338 -0.012934 -0.003557 13H 1px -0.009005 0.009297 -0.019007 -0.017821 0.011777 0.004259 13H 1py -0.002724 0.003361 -0.006627 -0.006277 0.005809 0.001834 14H 1s -0.005559 0.002487 -0.008325 -0.005528 -0.004994 -0.005605 14H 2s 0.025388 -0.075417 0.047485 0.066623 0.061108 0.025024 14H 3s -0.578869 0.620410 -1.084628 -0.929444 -0.299898 -0.355896 14H 1pz 0.007466 -0.009243 0.012748 0.010894 0.005247 0.006622 14H 1px 0.011565 -0.015246 0.021922 0.020753 0.007866 0.007418 14H 1py 0.004245 -0.004803 0.007157 0.006236 0.002158 0.000752 15H 1s -0.004455 0.005321 -0.007707 -0.006275 0.000630 -0.001833 15H 2s 0.038239 0.019732 0.087434 0.055435 -0.026807 0.023342 15H 3s -0.702769 0.427241 -1.285863 -0.911309 0.279151 -0.352077 15H 1pz -0.012601 0.005568 -0.024166 -0.017336 0.004785 -0.004980 15H 1px 0.001546 -0.000747 0.004105 0.003679 -0.003159 0.000057 15H 1py -0.010542 0.004373 -0.021617 -0.015511 0.004755 -0.006601 16H 1s 0.027136 0.002450 -0.002805 0.004452 0.028259 0.022749 16H 2s 0.058890 -0.007408 -0.007292 0.001113 0.017839 0.015127 16H 3s 0.477529 0.224342 -0.002534 0.155851 0.903456 0.706475 16H 1pz -0.017376 -0.006913 0.001082 -0.004326 -0.026986 -0.022077 16H 1px 0.000011 -0.000231 0.000377 -0.000021 0.003187 0.002546 16H 1py -0.007039 -0.003910 0.000041 -0.002340 -0.014727 -0.012564 17H 1s 0.027066 -0.002418 -0.002202 -0.005128 -0.029099 -0.033110 17H 2s 0.053171 0.009315 -0.006772 -0.011123 -0.035873 -0.040813 17H 3s 0.484788 -0.144858 0.083516 -0.154476 -0.888357 -1.016603 17H 1pz 0.012228 -0.004415 0.000941 -0.002308 -0.015073 -0.016206 17H 1px 0.011312 -0.003446 0.000641 -0.002336 -0.017542 -0.019595 17H 1py -0.010395 0.003913 -0.001258 0.003183 0.018160 0.019553 18H 1s 0.027080 0.002340 0.002047 -0.005140 -0.029754 0.032429 18H 2s 0.053831 -0.009687 0.006200 -0.010779 -0.036297 0.039554 18H 3s 0.483390 0.145955 -0.083701 -0.155352 -0.909109 0.996060 18H 1pz -0.012452 -0.004532 0.000956 0.002421 0.015884 -0.016365 18H 1px -0.011286 -0.003474 0.000654 0.002399 0.018030 -0.019287 18H 1py 0.009977 0.003811 -0.001226 -0.003162 -0.018055 0.018608 19H 1s 0.027237 -0.002553 0.002576 0.004497 0.028789 -0.021993 19H 2s 0.059425 0.007242 0.007165 0.001247 0.018288 -0.014330 19H 3s 0.478977 -0.225512 -0.005773 0.158154 0.919949 -0.684209 19H 1pz 0.017250 -0.006882 0.000806 0.004318 0.027113 -0.021104 19H 1px -0.000143 -0.000175 0.000365 -0.000010 -0.003478 0.002655 19H 1py 0.007446 -0.004082 -0.000055 0.002436 0.015580 -0.012646 20H 1s -0.004443 -0.005315 0.007763 -0.006242 0.000734 0.001973 20H 2s 0.037196 -0.018715 -0.087367 0.055332 -0.026571 -0.023263 20H 3s -0.693332 -0.429942 1.291985 -0.906924 0.283160 0.361043 20H 1pz 0.012420 0.005669 -0.024277 0.017263 -0.004802 -0.005068 20H 1px -0.001619 -0.000821 0.004326 -0.003817 0.003158 0.000144 20H 1py 0.010352 0.004465 -0.021612 0.015362 -0.004784 -0.006751 21H 1s -0.005485 -0.002500 0.008400 -0.005504 -0.004951 0.005501 21H 2s 0.025378 0.075065 -0.047872 0.065724 0.060493 -0.023297 21H 3s -0.574870 -0.622262 1.092092 -0.920995 -0.293409 0.352898 21H 1pz -0.007488 -0.009325 0.012991 -0.010925 -0.005183 0.006604 21H 1px -0.011421 -0.015186 0.021968 -0.020468 -0.007730 0.007188 21H 1py -0.004251 -0.004861 0.007272 -0.006246 -0.002132 0.000731 22H 1s -0.001625 -0.001972 0.004422 -0.005744 0.005436 -0.007204 22H 2s 0.033388 0.042553 -0.070587 0.067536 -0.073275 0.020401 22H 3s -0.428973 -0.469333 0.985974 -0.943590 0.662255 -0.235366 22H 1pz -0.008056 -0.008703 0.016868 -0.015130 0.012718 -0.003345 22H 1px 0.008943 0.009314 -0.019199 0.017791 -0.011678 0.004130 22H 1py 0.002743 0.003403 -0.006779 0.006329 -0.005820 0.001770 23H 1s -0.004842 -0.008072 -0.002473 0.006052 -0.003192 0.005721 23H 2s 0.041777 0.043806 0.070856 -0.056227 0.026618 -0.055834 23H 3s -0.597590 -1.088905 -0.634850 0.964860 -0.278214 0.509314 23H 1pz 0.005448 0.009031 0.005966 -0.008167 0.001186 -0.002176 23H 1px -0.004952 -0.009288 -0.006250 0.009335 -0.000933 0.003322 23H 1py -0.013762 -0.022209 -0.015828 0.020387 -0.008333 0.014336 24H 1s -0.005423 -0.007174 -0.004917 0.006592 -0.005027 0.007620 24H 2s 0.034839 0.081009 -0.018638 -0.050325 0.070830 -0.056910 24H 3s -0.664132 -1.246110 -0.450340 0.953993 -0.546173 0.614281 24H 1pz -0.008258 -0.016434 -0.003589 0.012414 -0.010887 0.012058 24H 1px -0.009647 -0.019845 -0.004626 0.015435 -0.008881 0.008771 24H 1py 0.009285 0.017605 0.004573 -0.012958 0.007928 -0.007635 25H 1s -0.001184 -0.004978 -0.002207 0.005495 0.008577 -0.014407 25H 2s 0.011123 0.069139 0.037412 -0.082303 -0.092015 0.093757 25H 3s -0.299248 -0.975550 -0.456954 1.006914 0.699020 -0.768981 25H 1pz -0.003231 -0.011594 -0.005474 0.012079 0.009686 -0.011280 25H 1px 0.007418 0.022578 0.010861 -0.023181 -0.016136 0.017625 25H 1py -0.001205 -0.003274 -0.001903 0.003149 0.002296 -0.002986 26O 1s -0.002364 0.008385 0.003200 0.003598 0.004426 0.003250 26O 2s -0.005795 0.020881 0.007937 0.008927 0.011415 0.008459 26O 3s 0.009398 -0.041276 -0.015214 -0.016761 -0.028300 -0.022419 26O 4s 0.017011 -0.016332 -0.005479 -0.006543 0.021201 0.021858 26O 5s 0.095344 -0.270531 -0.150377 -0.172855 -0.320367 -0.180443 26O 1pz 0.009204 0.021384 -0.007915 0.025675 0.008750 0.010279 26O 1px -0.021405 0.016734 0.002137 0.004333 -0.031098 -0.027855 26O 1py -0.000226 -0.000267 0.029537 0.017201 -0.003692 -0.007899 26O 2pz 0.012960 0.014044 -0.012329 0.020138 0.005753 0.009657 26O 2px -0.027019 0.017474 0.001887 0.008919 -0.020758 -0.022318 26O 2py 0.000121 -0.002987 0.020223 0.013297 -0.006207 -0.008106 26O 3pz -0.032876 0.056624 0.033602 0.049505 0.000421 -0.054080 26O 3px -0.022313 0.051385 0.042790 0.046754 0.051263 0.015665 26O 3py -0.032393 0.030741 0.098550 0.056499 0.046497 -0.019683 26O 1dz2 -0.000590 -0.000216 0.000092 -0.000109 -0.000620 -0.000420 26O 1dxz -0.000199 -0.000440 0.000144 -0.000306 -0.000862 -0.001413 26O 1dyz -0.000153 -0.000014 -0.000221 0.000009 -0.000086 -0.000370 26O 1dx2y2 0.000791 0.000156 0.000468 0.000158 0.000868 0.000976 26O 1dxy 0.000532 0.000032 -0.000146 0.000128 0.000581 -0.000062 26O 2dz2 -0.003511 0.000861 0.001833 0.001644 0.002323 -0.000442 26O 2dxz 0.000926 0.000116 0.000175 -0.001874 -0.002550 -0.001326 26O 2dyz 0.001745 -0.002675 -0.000705 -0.001859 -0.000227 -0.001131 26O 2dx2y2 0.004941 -0.003241 -0.002705 -0.002222 -0.001977 -0.000463 26O 2dxy 0.006525 -0.003694 -0.003865 -0.004116 -0.001593 -0.000791 26O 1f0 0.000004 0.000069 -0.000110 -0.000094 0.000063 0.000001 26O 1f+1 0.000365 -0.000138 -0.000183 -0.000183 0.000002 0.000146 26O 1f-1 0.000149 -0.000037 -0.000056 -0.000177 -0.000043 -0.000046 26O 1f+2 0.000157 -0.000271 -0.000294 -0.000010 0.000029 0.000079 26O 1f-2 -0.000144 0.000341 0.000200 0.000239 -0.000120 -0.000047 26O 1f+3 0.000235 -0.000316 -0.000112 -0.000173 -0.000095 0.000062 26O 1f-3 0.000633 -0.000597 -0.000460 -0.000482 0.000167 0.000092 27O 1s -0.004120 0.003865 -0.008988 -0.002855 0.001037 0.001520 27O 2s -0.010209 0.009557 -0.022365 -0.007063 0.002603 0.003992 27O 3s 0.018901 -0.017596 0.043787 0.012894 -0.004129 -0.011495 27O 4s 0.018559 -0.012733 0.021624 0.006621 -0.005686 0.016772 27O 5s 0.137215 -0.130888 0.269085 0.124043 -0.167199 -0.085791 27O 1pz 0.010294 0.024234 0.006298 -0.013899 0.012058 0.009112 27O 1px -0.010343 0.014566 -0.009358 -0.011793 -0.017175 -0.005591 27O 1py 0.004040 0.011156 0.023276 0.022725 0.000598 0.011114 27O 2pz 0.016151 0.016804 0.010159 -0.010116 0.008561 0.010609 27O 2px -0.013732 0.014972 -0.012783 -0.014335 -0.000467 -0.005065 27O 2py -0.002000 0.010446 0.019219 0.020161 0.002290 0.007751 27O 3pz -0.035707 0.053884 -0.005190 -0.024408 0.018033 -0.039119 27O 3px -0.030666 0.067082 -0.032712 -0.042855 0.049287 0.001707 27O 3py 0.061736 -0.000154 0.039373 0.026678 -0.065889 0.063870 27O 1dz2 -0.000372 -0.000334 -0.000129 -0.000022 -0.000271 -0.000022 27O 1dxz -0.000275 -0.000446 0.000127 0.000165 -0.000400 -0.000689 27O 1dyz -0.000004 0.000061 0.000112 0.000131 0.000172 -0.000015 27O 1dx2y2 0.000674 0.000054 -0.000291 -0.000121 0.000295 0.000382 27O 1dxy -0.000007 -0.000100 -0.000407 -0.000244 -0.000473 0.000907 27O 2dz2 -0.004244 0.003491 -0.003430 -0.002696 0.005578 0.000910 27O 2dxz 0.000987 0.000161 -0.000643 0.000267 0.000610 0.001116 27O 2dyz -0.001149 0.001669 -0.002990 -0.001030 -0.002467 0.000814 27O 2dx2y2 0.005918 -0.004211 0.003258 0.002249 -0.006650 0.000340 27O 2dxy -0.003576 0.000798 -0.000842 -0.002276 0.002782 0.000796 27O 1f0 -0.000064 0.000059 -0.000105 -0.000092 0.000121 -0.000018 27O 1f+1 0.000428 -0.000367 0.000533 0.000356 -0.000246 0.000062 27O 1f-1 -0.000062 -0.000026 -0.000201 -0.000131 -0.000030 0.000053 27O 1f+2 0.000164 -0.000048 0.000244 0.000002 -0.000153 -0.000021 27O 1f-2 0.000217 -0.000276 0.000432 0.000145 0.000123 0.000009 27O 1f+3 0.000452 -0.000373 0.000326 0.000273 -0.000292 0.000142 27O 1f-3 0.000016 0.000180 -0.000133 -0.000338 0.000010 0.000202 28O 1s -0.003519 0.008455 0.004802 0.002734 -0.001260 0.002616 28O 2s -0.008745 0.020827 0.011845 0.006623 -0.003332 0.006332 28O 3s 0.016544 -0.037701 -0.021334 -0.009989 0.007395 -0.011586 28O 4s 0.017640 -0.038665 -0.023786 -0.021883 -0.003072 -0.006551 28O 5s 0.102090 -0.174603 -0.084366 -0.031999 0.282315 0.048723 28O 1pz 0.001010 0.021737 -0.009818 0.022323 -0.004111 0.011535 28O 1px 0.012325 -0.002404 -0.010635 -0.002581 -0.022669 -0.009842 28O 1py 0.003543 -0.008409 0.025913 0.015532 0.008175 -0.008629 28O 2pz 0.000801 0.022847 -0.002033 0.023030 -0.019470 -0.005677 28O 2px 0.014811 -0.002448 -0.010736 -0.001014 -0.002088 0.008488 28O 2py 0.005094 -0.004544 0.020393 0.016912 0.004932 -0.012364 28O 3pz -0.022843 -0.002954 -0.039783 -0.001909 -0.070094 0.041459 28O 3px -0.007570 -0.031380 -0.034810 -0.026607 0.034644 -0.033830 28O 3py -0.009956 -0.037593 0.028434 -0.008225 -0.015997 0.021243 28O 1dz2 0.000033 -0.000654 0.000225 -0.000375 0.000271 0.000026 28O 1dxz -0.000685 0.000124 0.000112 0.000239 0.000836 -0.000371 28O 1dyz 0.000215 -0.000039 -0.000266 -0.000189 0.000256 0.000614 28O 1dx2y2 0.000698 0.000245 0.000211 0.000114 -0.000321 0.000434 28O 1dxy -0.000027 0.000234 0.000481 0.000310 0.000316 -0.000077 28O 2dz2 0.000664 0.000421 -0.000263 -0.000176 0.001143 0.001942 28O 2dxz -0.005011 0.002472 0.001178 0.001732 -0.007857 -0.002458 28O 2dyz 0.002113 -0.003849 -0.002306 -0.001228 0.002584 0.001754 28O 2dx2y2 0.002987 -0.004143 -0.002866 -0.002342 0.004493 0.001383 28O 2dxy -0.000920 -0.002217 -0.001519 -0.000915 -0.000071 -0.000553 28O 1f0 0.000161 -0.000129 -0.000192 -0.000099 0.000165 0.000021 28O 1f+1 -0.000010 -0.000149 -0.000092 -0.000222 -0.000019 0.000124 28O 1f-1 -0.000106 0.000225 0.000011 0.000051 -0.000052 0.000006 28O 1f+2 -0.000343 0.000533 0.000239 0.000348 -0.000346 -0.000066 28O 1f-2 0.000031 -0.000258 -0.000217 -0.000153 0.000029 -0.000091 28O 1f+3 -0.000313 0.000351 0.000248 0.000186 -0.000244 -0.000016 28O 1f-3 -0.000099 0.000164 0.000069 0.000063 0.000051 0.000007 29O 1s 0.018739 -0.000085 -0.001866 -0.000450 -0.000852 -0.003614 29O 2s 0.047155 -0.000080 -0.004414 -0.001100 -0.002080 -0.009145 29O 3s -0.101340 -0.001818 0.005319 0.001767 0.003186 0.020389 29O 4s -0.025060 0.010814 0.022686 0.002727 0.005879 -0.000973 29O 5s -0.545113 -0.032648 -0.008463 0.011946 0.020827 0.152285 29O 1pz 0.022264 0.032641 -0.006121 0.022778 0.144019 0.134823 29O 1px -0.046634 0.010024 -0.003741 0.008425 0.050395 0.056198 29O 1py 0.063842 0.002430 0.011454 -0.002656 -0.013999 -0.030275 29O 2pz 0.015091 0.008389 -0.003109 0.008341 0.070205 0.068582 29O 2px -0.031620 0.004014 0.003762 0.004304 0.027303 0.028760 29O 2py 0.039591 0.001201 0.006064 -0.000672 -0.008516 -0.017066 29O 3pz 0.045320 0.090660 -0.016160 0.066918 0.349368 0.325645 29O 3px -0.077281 0.021345 -0.031312 0.022430 0.111665 0.124472 29O 3py 0.140892 0.012009 0.024830 -0.014775 -0.036133 -0.079545 29O 1dz2 0.000945 -0.000155 0.000086 0.000128 0.000523 0.000401 29O 1dxz 0.000547 0.000251 -0.000076 -0.000170 -0.000538 -0.000443 29O 1dyz -0.000165 -0.000108 -0.000124 0.000217 0.000594 0.000686 29O 1dx2y2 0.000375 0.000146 -0.000037 -0.000017 -0.000246 -0.000509 29O 1dxy 0.000054 0.000075 0.000223 0.000072 0.000352 0.000209 29O 2dz2 0.006354 0.001626 -0.000185 0.001569 0.010232 0.008270 29O 2dxz 0.004484 -0.001124 0.000130 -0.001170 -0.009105 -0.009716 29O 2dyz -0.001084 0.002890 -0.000682 0.002295 0.015226 0.014708 29O 2dx2y2 0.000410 -0.000015 0.000646 -0.000408 -0.002685 -0.003633 29O 2dxy -0.002060 0.001482 0.001578 0.001000 0.006466 0.006949 29O 1f0 -0.000207 0.000163 -0.000113 0.000098 0.000633 0.000702 29O 1f+1 0.000103 0.000216 -0.000006 0.000160 0.000729 0.000644 29O 1f-1 -0.000178 -0.000248 0.000054 -0.000223 -0.001268 -0.001088 29O 1f+2 0.000010 0.000130 -0.000048 0.000111 0.000796 0.000766 29O 1f-2 -0.000192 0.000242 -0.000031 0.000128 0.001005 0.001013 29O 1f+3 -0.000139 -0.000149 -0.000125 -0.000007 -0.000308 -0.000217 29O 1f-3 -0.000060 -0.000147 0.000032 -0.000048 -0.000532 -0.000514 30O 1s -0.002390 0.004635 -0.007285 -0.003401 -0.003512 0.004509 30O 2s -0.005898 0.011492 -0.017935 -0.008342 -0.009111 0.011144 30O 3s 0.010187 -0.022263 0.031947 0.014151 0.023061 -0.021826 30O 4s 0.017006 -0.013444 0.032407 0.019196 -0.020677 -0.010895 30O 5s 0.076250 -0.096642 0.211814 0.070156 0.310173 -0.070695 30O 1pz 0.000905 0.029665 0.002371 -0.015845 -0.013629 0.008907 30O 1px 0.023239 0.005709 0.011961 -0.008582 -0.023491 0.005078 30O 1py 0.001694 0.009851 0.022595 0.022512 -0.015375 0.005707 30O 2pz -0.001588 0.019560 -0.000798 -0.014474 -0.017188 0.005063 30O 2px 0.025847 0.005062 0.011833 -0.007129 -0.014709 0.015588 30O 2py 0.002384 0.009380 0.024113 0.024845 -0.008740 0.010859 30O 3pz 0.000084 0.053917 -0.013169 -0.016257 -0.027623 0.007783 30O 3px 0.007412 0.004167 0.066833 0.017316 0.052826 -0.039101 30O 3py 0.015451 0.021183 0.028735 0.002556 0.014043 -0.004201 30O 1dz2 -0.000211 -0.000549 0.000010 0.000037 0.000757 -0.000458 30O 1dxz -0.000818 0.000136 0.000086 0.000063 0.000579 -0.000617 30O 1dyz -0.000496 0.000320 0.000013 -0.000142 -0.000076 -0.000590 30O 1dx2y2 0.000379 0.000119 -0.000662 -0.000510 -0.000787 0.000465 30O 1dxy 0.000566 0.000083 0.000122 0.000099 -0.000818 0.000337 30O 2dz2 -0.001132 0.001392 -0.002882 -0.000631 -0.002413 -0.000658 30O 2dxz -0.004761 0.000770 -0.004716 -0.001916 -0.001354 -0.002807 30O 2dyz -0.004342 0.001457 -0.005950 -0.002477 -0.002278 -0.001787 30O 2dx2y2 0.002097 -0.000454 0.003258 0.000808 -0.002261 0.000844 30O 2dxy 0.003608 0.001188 0.001415 0.000566 0.000307 0.002751 30O 1f0 0.000387 -0.000215 0.000514 0.000199 -0.000013 0.000189 30O 1f+1 0.000019 0.000101 -0.000113 -0.000045 -0.000188 0.000284 30O 1f-1 0.000112 -0.000197 0.000098 0.000052 -0.000046 0.000116 30O 1f+2 -0.000197 0.000076 -0.000216 -0.000095 0.000027 0.000086 30O 1f-2 -0.000480 0.000147 -0.000733 -0.000363 0.000051 -0.000235 30O 1f+3 -0.000105 0.000074 -0.000132 0.000019 0.000108 0.000107 30O 1f-3 -0.000224 -0.000002 -0.000242 -0.000121 0.000040 0.000021 31O 1s -0.002362 -0.004655 0.007348 -0.003367 -0.003511 -0.004690 31O 2s -0.005828 -0.011541 0.018090 -0.008253 -0.009106 -0.011601 31O 3s 0.010066 0.022321 -0.032247 0.013924 0.023027 0.022825 31O 4s 0.016859 0.013734 -0.032766 0.019437 -0.020581 0.010684 31O 5s 0.075986 0.096886 -0.211159 0.068043 0.309657 0.082040 31O 1pz -0.000673 0.029557 0.002340 0.015619 0.013161 0.008668 31O 1px -0.023118 0.005786 0.012095 0.008479 0.023323 0.005910 31O 1py -0.001321 0.009771 0.022541 -0.022542 0.014740 0.005475 31O 2pz 0.001816 0.019635 -0.000830 0.014373 0.016701 0.004927 31O 2px -0.025727 0.005116 0.011902 0.007095 0.014557 0.016101 31O 2py -0.002114 0.009203 0.024018 -0.024858 0.008039 0.010445 31O 3pz 0.000050 0.053358 -0.012294 0.015634 0.028173 0.009103 31O 3px -0.007608 0.004028 0.066423 -0.017771 -0.052917 -0.041357 31O 3py -0.014833 0.021687 0.027980 -0.002628 -0.013636 -0.004982 31O 1dz2 -0.000212 0.000551 -0.000010 0.000040 0.000747 0.000481 31O 1dxz -0.000816 -0.000132 -0.000078 0.000065 0.000590 0.000647 31O 1dyz -0.000496 -0.000323 -0.000002 -0.000143 -0.000080 0.000602 31O 1dx2y2 0.000381 -0.000120 0.000661 -0.000510 -0.000792 -0.000493 31O 1dxy 0.000564 -0.000084 -0.000129 0.000098 -0.000805 -0.000349 31O 2dz2 -0.001143 -0.001429 0.002895 -0.000637 -0.002433 0.000587 31O 2dxz -0.004743 -0.000750 0.004695 -0.001904 -0.001332 0.002760 31O 2dyz -0.004304 -0.001455 0.005950 -0.002485 -0.002311 0.001689 31O 2dx2y2 0.002095 0.000434 -0.003274 0.000823 -0.002240 -0.000880 31O 2dxy 0.003619 -0.001170 -0.001395 0.000578 0.000361 -0.002652 31O 1f0 -0.000384 -0.000214 0.000514 -0.000197 0.000010 0.000191 31O 1f+1 -0.000017 0.000104 -0.000114 0.000043 0.000181 0.000282 31O 1f-1 -0.000110 -0.000195 0.000097 -0.000052 0.000042 0.000116 31O 1f+2 0.000193 0.000076 -0.000219 0.000097 -0.000026 0.000094 31O 1f-2 0.000474 0.000146 -0.000732 0.000362 -0.000048 -0.000233 31O 1f+3 0.000102 0.000072 -0.000135 -0.000020 -0.000104 0.000111 31O 1f-3 0.000224 0.000001 -0.000242 0.000121 -0.000041 0.000021 32O 1s 0.018796 0.000029 0.001740 -0.000453 -0.000909 0.003643 32O 2s 0.047294 -0.000055 0.004095 -0.001103 -0.002223 0.009221 32O 3s -0.101568 0.002024 -0.004605 0.001742 0.003501 -0.020571 32O 4s -0.025445 -0.010361 -0.022660 0.002966 0.005984 0.000907 32O 5s -0.546117 0.033251 0.012686 0.010956 0.022458 -0.152712 32O 1pz -0.020857 0.032815 -0.005521 -0.023125 -0.147395 0.132153 32O 1px 0.047179 0.009875 -0.003947 -0.008376 -0.050911 0.054570 32O 1py -0.064040 0.003045 0.011786 0.002114 0.010848 -0.026703 32O 2pz -0.014214 0.008477 -0.002956 -0.008459 -0.071963 0.067287 32O 2px 0.032058 0.003849 0.003571 -0.004263 -0.027485 0.027875 32O 2py -0.039827 0.001286 0.006334 0.000513 0.007089 -0.015327 32O 3pz -0.042333 0.090789 -0.014541 -0.068010 -0.357490 0.319108 32O 3px 0.078601 0.021262 -0.031573 -0.022275 -0.113131 0.120584 32O 3py -0.141436 0.013942 0.025344 0.012732 0.028182 -0.070652 32O 1dz2 0.000966 0.000148 -0.000092 0.000120 0.000506 -0.000358 32O 1dxz 0.000543 -0.000254 0.000069 -0.000171 -0.000572 0.000449 32O 1dyz -0.000117 0.000108 0.000125 0.000220 0.000615 -0.000664 32O 1dx2y2 0.000372 -0.000146 0.000031 -0.000022 -0.000276 0.000526 32O 1dxy 0.000069 -0.000076 -0.000223 0.000063 0.000339 -0.000173 32O 2dz2 0.006418 -0.001514 0.000080 0.001488 0.009719 -0.007359 32O 2dxz 0.004452 0.001202 -0.000114 -0.001247 -0.009668 0.009845 32O 2dyz -0.000758 -0.002985 0.000616 0.002360 0.015831 -0.014534 32O 2dx2y2 0.000435 0.000109 -0.000637 -0.000457 -0.003163 0.003944 32O 2dxy -0.001895 -0.001422 -0.001610 0.000980 0.006278 -0.006482 32O 1f0 0.000187 0.000182 -0.000113 -0.000117 -0.000729 0.000753 32O 1f+1 -0.000115 0.000208 0.000002 -0.000155 -0.000712 0.000593 32O 1f-1 0.000185 -0.000233 0.000039 0.000211 0.001211 -0.000981 32O 1f+2 -0.000016 0.000131 -0.000044 -0.000114 -0.000819 0.000747 32O 1f-2 0.000178 0.000261 -0.000025 -0.000143 -0.001091 0.001044 32O 1f+3 0.000148 -0.000136 -0.000130 0.000002 0.000270 -0.000167 32O 1f-3 0.000068 -0.000155 0.000027 0.000053 0.000572 -0.000525 33O 1s -0.003603 -0.008449 -0.004752 0.002758 -0.001139 -0.002555 33O 2s -0.008952 -0.020814 -0.011717 0.006680 -0.003037 -0.006179 33O 3s 0.016914 0.037708 0.021045 -0.010054 0.006863 0.011253 33O 4s 0.018094 0.038543 0.023854 -0.022286 -0.003551 0.006639 33O 5s 0.103512 0.173646 0.082161 -0.030755 0.282803 -0.050341 33O 1pz -0.001096 0.021525 -0.009845 -0.022397 0.003719 0.011508 33O 1px -0.012207 -0.002487 -0.010609 0.002491 0.022614 -0.009761 33O 1py -0.003357 -0.008317 0.026099 -0.015415 -0.008104 -0.008695 33O 2pz -0.000794 0.022662 -0.001945 -0.023144 0.019396 -0.005524 33O 2px -0.014755 -0.002548 -0.010641 0.000969 0.001539 0.008370 33O 2py -0.004877 -0.004385 0.020658 -0.016976 -0.004687 -0.012539 33O 3pz 0.022328 -0.003785 -0.040887 0.002520 0.069020 0.041938 33O 3px 0.007118 -0.031095 -0.034979 0.026501 -0.033265 -0.032475 33O 3py 0.009851 -0.038100 0.027884 0.009506 0.015756 0.021831 33O 1dz2 0.000035 0.000652 -0.000225 -0.000376 0.000268 -0.000026 33O 1dxz -0.000685 -0.000128 -0.000113 0.000242 0.000820 0.000377 33O 1dyz 0.000220 0.000043 0.000269 -0.000191 0.000268 -0.000610 33O 1dx2y2 0.000688 -0.000250 -0.000219 0.000121 -0.000301 -0.000411 33O 1dxy -0.000030 -0.000232 -0.000484 0.000313 0.000328 0.000078 33O 2dz2 0.000666 -0.000427 0.000260 -0.000167 0.001132 -0.001920 33O 2dxz -0.005010 -0.002450 -0.001118 0.001739 -0.007922 0.002380 33O 2dyz 0.002133 0.003812 0.002275 -0.001232 0.002653 -0.001800 33O 2dx2y2 0.003000 0.004131 0.002841 -0.002339 0.004552 -0.001295 33O 2dxy -0.000873 0.002266 0.001564 -0.000963 -0.000132 0.000522 33O 1f0 -0.000163 -0.000130 -0.000191 0.000100 -0.000168 0.000021 33O 1f+1 0.000010 -0.000149 -0.000092 0.000220 0.000014 0.000125 33O 1f-1 0.000106 0.000223 0.000009 -0.000049 0.000053 0.000007 33O 1f+2 0.000344 0.000531 0.000236 -0.000349 0.000349 -0.000060 33O 1f-2 -0.000032 -0.000255 -0.000217 0.000152 -0.000028 -0.000087 33O 1f+3 0.000314 0.000349 0.000245 -0.000185 0.000245 -0.000009 33O 1f-3 0.000101 0.000167 0.000068 -0.000063 -0.000050 0.000006 34O 1s -0.004063 -0.003874 0.009047 -0.002840 0.000988 -0.001450 34O 2s -0.010068 -0.009577 0.022511 -0.007028 0.002480 -0.003821 34O 3s 0.018646 0.017594 -0.044075 0.012852 -0.003904 0.011251 34O 4s 0.018264 0.012955 -0.021775 0.006427 -0.005517 -0.017453 34O 5s 0.136563 0.131016 -0.270017 0.124131 -0.163823 0.081219 34O 1pz -0.009915 0.024162 0.006302 0.013801 -0.012021 0.008519 34O 1px 0.010333 0.014566 -0.009498 0.011654 0.016981 -0.005147 34O 1py -0.003760 0.011087 0.023260 -0.022724 -0.000392 0.011157 34O 2pz -0.015776 0.016804 0.010255 0.010044 -0.008511 0.010243 34O 2px 0.013694 0.015115 -0.012907 0.014168 0.000424 -0.005141 34O 2py 0.002256 0.010337 0.019010 -0.020030 -0.002260 0.007742 34O 3pz 0.035958 0.053485 -0.005838 0.024260 -0.018333 -0.040780 34O 3px 0.030861 0.066699 -0.032666 0.042678 -0.048331 -0.000016 34O 3py -0.061644 -0.000020 0.040546 -0.027487 0.066549 0.066445 34O 1dz2 -0.000369 0.000335 0.000131 -0.000023 -0.000266 0.000012 34O 1dxz -0.000277 0.000444 -0.000125 0.000167 -0.000392 0.000687 34O 1dyz -0.000004 -0.000058 -0.000113 0.000128 0.000175 0.000022 34O 1dx2y2 0.000673 -0.000052 0.000281 -0.000119 0.000286 -0.000361 34O 1dxy -0.000003 0.000100 0.000405 -0.000241 -0.000466 -0.000928 34O 2dz2 -0.004230 -0.003485 0.003454 -0.002668 0.005522 -0.000740 34O 2dxz 0.000990 -0.000174 0.000639 0.000280 0.000633 -0.001081 34O 2dyz -0.001121 -0.001678 0.002991 -0.001017 -0.002480 -0.000857 34O 2dx2y2 0.005882 0.004196 -0.003275 0.002218 -0.006628 -0.000516 34O 2dxy -0.003610 -0.000831 0.000902 -0.002284 0.002791 -0.000719 34O 1f0 0.000066 0.000061 -0.000107 0.000091 -0.000119 -0.000026 34O 1f+1 -0.000422 -0.000367 0.000537 -0.000354 0.000245 0.000067 34O 1f-1 0.000060 -0.000024 -0.000202 0.000132 0.000030 0.000055 34O 1f+2 -0.000165 -0.000049 0.000246 -0.000001 0.000155 -0.000010 34O 1f-2 -0.000213 -0.000274 0.000434 -0.000145 -0.000122 0.000005 34O 1f+3 -0.000448 -0.000373 0.000329 -0.000268 0.000291 0.000149 34O 1f-3 -0.000014 0.000184 -0.000136 0.000337 -0.000011 0.000204 35O 1s -0.002378 -0.008396 -0.003180 0.003608 0.004511 -0.003170 35O 2s -0.005829 -0.020911 -0.007887 0.008957 0.011636 -0.008250 35O 3s 0.009439 0.041389 0.015112 -0.016888 -0.028894 0.021869 35O 4s 0.017145 0.016027 0.005416 -0.006133 0.021865 -0.021261 35O 5s 0.095327 0.271272 0.149261 -0.174583 -0.325871 0.175101 35O 1pz -0.009251 0.021225 -0.007713 -0.025711 -0.008554 0.010104 35O 1px 0.021632 0.016515 0.001964 -0.004328 0.031958 -0.027596 35O 1py 0.000457 -0.000016 0.029661 -0.017199 0.003798 -0.007744 35O 2pz -0.013099 0.013758 -0.012114 -0.020047 -0.005560 0.009261 35O 2px 0.027126 0.017259 0.001663 -0.008819 0.021624 -0.022122 35O 2py 0.000035 -0.002784 0.020325 -0.013329 0.006169 -0.007863 35O 3pz 0.033590 0.057452 0.033475 -0.050413 0.001311 -0.051551 35O 3px 0.022663 0.051125 0.042300 -0.046788 -0.052222 0.015242 35O 3py 0.033325 0.031203 0.098460 -0.056223 -0.045136 -0.019705 35O 1dz2 -0.000594 0.000215 -0.000091 -0.000109 -0.000632 0.000414 35O 1dxz -0.000199 0.000432 -0.000140 -0.000302 -0.000890 0.001381 35O 1dyz -0.000148 0.000014 0.000221 0.000008 -0.000093 0.000366 35O 1dx2y2 0.000792 -0.000161 -0.000469 0.000160 0.000911 -0.000970 35O 1dxy 0.000532 -0.000036 0.000138 0.000126 0.000572 0.000078 35O 2dz2 -0.003532 -0.000847 -0.001796 0.001640 0.002302 0.000358 35O 2dxz 0.000944 -0.000062 -0.000177 -0.001913 -0.002550 0.001259 35O 2dyz 0.001759 0.002684 0.000719 -0.001868 -0.000232 0.001072 35O 2dx2y2 0.004975 0.003238 0.002625 -0.002187 -0.001891 0.000428 35O 2dxy 0.006526 0.003652 0.003794 -0.004089 -0.001672 0.000919 35O 1f0 -0.000006 0.000066 -0.000109 0.000095 -0.000060 0.000000 35O 1f+1 -0.000367 -0.000140 -0.000181 0.000182 -0.000007 0.000140 35O 1f-1 -0.000148 -0.000035 -0.000056 0.000175 0.000045 -0.000044 35O 1f+2 -0.000160 -0.000271 -0.000294 0.000011 -0.000033 0.000077 35O 1f-2 0.000148 0.000344 0.000200 -0.000243 0.000121 -0.000048 35O 1f+3 -0.000237 -0.000319 -0.000109 0.000172 0.000091 0.000059 35O 1f-3 -0.000635 -0.000592 -0.000453 0.000480 -0.000175 0.000085 132 133 134 135 136 137 0.11217 0.11363 0.11835 0.11898 0.12164 0.12378 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s -0.000968 -0.004412 0.001914 0.000747 -0.001414 -0.001357 0Rh 2s 0.004644 0.016629 -0.006760 -0.002858 0.005207 0.004553 0Rh 3s -0.002744 -0.015326 0.006933 0.002572 -0.004987 -0.005063 0Rh 4s -0.020766 -0.072520 0.029306 0.012486 -0.022672 -0.019577 0Rh 5s 0.024919 0.057314 -0.019716 -0.010117 0.017051 0.010433 0Rh 6s 0.003649 0.126359 -0.064334 -0.021156 0.042808 0.054326 0Rh 7s -0.221092 0.328610 0.033186 -0.015287 -0.044025 0.215829 0Rh 8s 2.254097 -1.028684 0.212344 0.140945 0.006506 -2.094234 0Rh 1pz -0.000837 0.004074 -0.004646 0.001073 0.001528 -0.000369 0Rh 1px 0.002543 -0.011683 0.005650 -0.001173 -0.004668 0.001272 0Rh 1py -0.000248 -0.002008 0.001445 -0.000894 0.001184 0.001768 0Rh 2pz 0.002900 -0.013969 0.015953 -0.003693 -0.005279 0.001264 0Rh 2px -0.008904 0.040046 -0.019434 0.004031 0.015972 -0.004201 0Rh 2py 0.000786 0.006914 -0.004982 0.003024 -0.004085 -0.006037 0Rh 3pz -0.003216 0.012619 -0.014805 0.003625 0.005477 -0.001203 0Rh 3px 0.011528 -0.036030 0.018727 -0.003855 -0.013831 0.000819 0Rh 3py 0.000478 -0.006806 0.005013 -0.001906 0.004085 0.004982 0Rh 4pz -0.000876 0.016103 -0.017076 0.002884 0.003534 -0.000954 0Rh 4px -0.002958 -0.046756 0.017822 -0.003742 -0.020618 0.016046 0Rh 4py -0.005327 -0.006004 0.003899 -0.006817 0.003583 0.008449 0Rh 5pz -0.008513 0.005235 -0.009293 0.005964 0.007505 -0.001733 0Rh 5px 0.032650 -0.015796 0.019011 -0.004570 -0.003057 -0.020359 0Rh 5py 0.007912 -0.005402 0.005530 0.005002 0.000913 0.001981 0Rh 6pz 0.212677 0.019683 0.099303 -0.028805 -0.043868 -0.131427 0Rh 6px -0.624876 0.122445 -0.170250 0.103604 0.067739 0.257144 0Rh 6py -0.102044 0.047130 -0.034705 0.038389 -0.013786 0.026827 0Rh 1dz2 0.000161 0.013901 -0.007378 0.002856 0.004654 -0.002430 0Rh 1dxz 0.001930 0.017698 -0.002404 0.000804 0.004964 -0.005684 0Rh 1dyz 0.003248 0.003480 -0.000274 0.009412 0.000428 0.000660 0Rh 1dx2y2 -0.002319 -0.027060 0.010330 -0.000646 -0.006974 0.003445 0Rh 1dxy 0.000045 -0.011063 0.002953 0.002434 -0.006290 0.004515 0Rh 2dz2 0.000212 -0.000675 0.000353 -0.000111 -0.000205 0.000241 0Rh 2dxz -0.000034 -0.000785 0.000122 -0.000022 -0.000274 0.000189 0Rh 2dyz -0.000170 -0.000071 -0.000008 -0.000565 -0.000175 -0.000102 0Rh 2dx2y2 -0.000145 0.001314 -0.000437 0.000007 0.000163 0.000091 0Rh 2dxy -0.000015 0.000412 -0.000155 0.000090 0.000460 -0.000291 0Rh 3dz2 -0.001099 -0.021115 0.011259 -0.004444 -0.007187 0.003239 0Rh 3dxz -0.003165 -0.027231 0.003601 -0.001295 -0.007427 0.009048 0Rh 3dyz -0.004919 -0.005683 0.000474 -0.013912 -0.000039 -0.000723 0Rh 3dx2y2 0.004535 0.041070 -0.015957 0.001090 0.011289 -0.006272 0Rh 3dxy -0.000025 0.017354 -0.004451 -0.004516 0.008989 -0.006636 0Rh 4dz2 0.002427 -0.027827 0.014903 -0.005343 -0.008948 0.006375 0Rh 4dxz -0.003359 -0.034387 0.004658 -0.001491 -0.010338 0.010647 0Rh 4dyz -0.006300 -0.005806 0.000562 -0.020083 -0.002630 -0.002126 0Rh 4dx2y2 0.001920 0.054302 -0.020010 0.001116 0.011871 -0.003962 0Rh 4dxy -0.000049 0.020509 -0.005883 -0.002440 0.014809 -0.009969 0Rh 5dz2 -0.013964 -0.017298 0.009650 -0.004862 -0.007758 -0.003459 0Rh 5dxz -0.002865 -0.027399 0.008611 -0.001236 -0.004397 0.008062 0Rh 5dyz -0.008963 -0.009126 -0.001221 -0.007401 0.006082 0.003654 0Rh 5dx2y2 0.012533 0.033530 -0.020108 -0.000111 0.016993 -0.014455 0Rh 5dxy -0.001950 0.020568 -0.006992 -0.014130 -0.005104 -0.001710 0Rh 1f0 0.000435 -0.000163 0.000531 0.000288 -0.000511 0.000659 0Rh 1f+1 -0.000536 0.000030 -0.000203 0.001158 0.000939 -0.000469 0Rh 1f-1 -0.000777 0.000346 0.000008 0.001175 -0.000987 0.000146 0Rh 1f+2 0.000336 0.000295 -0.001384 -0.000697 0.000619 0.000704 0Rh 1f-2 -0.000326 0.000161 -0.000511 0.001129 -0.000438 0.001388 0Rh 1f+3 -0.000541 0.000237 0.000093 0.000464 -0.000142 -0.002142 0Rh 1f-3 -0.000575 0.000266 -0.000025 0.000101 -0.000537 0.001202 1Rh 1s 0.000807 -0.004430 0.001891 -0.000837 -0.001353 0.001453 1Rh 2s -0.004038 0.016729 -0.006688 0.003177 0.004994 -0.004903 1Rh 3s 0.002184 -0.015371 0.006844 -0.002893 -0.004765 0.005406 1Rh 4s 0.018122 -0.072971 0.028997 -0.013872 -0.021751 0.021099 1Rh 5s -0.022829 0.057918 -0.019594 0.011078 0.016470 -0.011544 1Rh 6s 0.000952 0.126195 -0.063314 0.024092 0.040602 -0.057331 1Rh 7s 0.233507 0.320829 0.037918 0.016312 -0.050931 -0.211129 1Rh 8s -2.293026 -0.956029 0.165062 -0.155460 0.074607 2.091722 1Rh 1pz -0.000986 -0.004046 0.004657 0.000861 -0.001507 -0.000325 1Rh 1px 0.002987 0.011608 -0.005657 -0.000945 0.004747 0.000971 1Rh 1py -0.000165 0.002031 -0.001484 -0.000791 -0.001117 0.001795 1Rh 2pz 0.003412 0.013871 -0.015991 -0.002967 0.005206 0.001111 1Rh 2px -0.010427 -0.039781 0.019453 0.003248 -0.016239 -0.003170 1Rh 2py 0.000499 -0.006993 0.005112 0.002669 0.003856 -0.006128 1Rh 3pz -0.003705 -0.012533 0.014833 0.002964 -0.005421 -0.000998 1Rh 3px 0.012925 0.035671 -0.018688 -0.003123 0.013980 -0.000084 1Rh 3py 0.000776 0.006842 -0.005070 -0.001559 -0.003893 0.005072 1Rh 4pz -0.001373 -0.015991 0.017130 0.002057 -0.003405 -0.001026 1Rh 4px -0.001282 0.046906 -0.018053 -0.002944 0.021270 0.014759 1Rh 4py -0.005127 0.006228 -0.004285 -0.006491 -0.003276 0.008540 1Rh 5pz -0.008842 -0.005115 0.009322 0.005692 -0.007547 -0.001138 1Rh 5px 0.033482 0.014708 -0.018604 -0.003962 0.002553 -0.020692 1Rh 5py 0.008156 0.005202 -0.005119 0.005275 -0.000810 0.001931 1Rh 6pz 0.214342 -0.024730 -0.096310 -0.026143 0.039676 -0.136020 1Rh 6px -0.630270 -0.102903 0.163514 0.098200 -0.063023 0.262664 1Rh 6py -0.105142 -0.045826 0.034698 0.036463 0.014083 0.027016 1Rh 1dz2 0.000268 0.013886 -0.007440 -0.002517 0.004701 0.002213 1Rh 1dxz -0.001293 0.017703 -0.002457 -0.000664 0.005241 0.005272 1Rh 1dyz -0.003048 0.003741 -0.000558 -0.009389 -0.000085 -0.000669 1Rh 1dx2y2 0.001344 -0.027049 0.010428 0.000077 -0.007002 -0.003043 1Rh 1dxy -0.000433 -0.010973 0.002862 -0.002515 -0.006558 -0.004203 1Rh 2dz2 -0.000237 -0.000666 0.000355 0.000093 -0.000220 -0.000230 1Rh 2dxz 0.000006 -0.000781 0.000124 0.000021 -0.000288 -0.000167 1Rh 2dyz 0.000170 -0.000085 0.000007 0.000563 -0.000141 0.000111 1Rh 2dx2y2 0.000195 0.001304 -0.000431 0.000021 0.000152 -0.000101 1Rh 2dxy 0.000026 0.000409 -0.000157 -0.000085 0.000475 0.000271 1Rh 3dz2 0.000464 -0.021126 0.011355 0.003937 -0.007209 -0.002910 1Rh 3dxz 0.002184 -0.027260 0.003682 0.001061 -0.007852 -0.008430 1Rh 3dyz 0.004576 -0.006075 0.000898 0.013879 0.000708 0.000703 1Rh 3dx2y2 -0.003067 0.041093 -0.016151 -0.000224 0.011381 0.005623 1Rh 3dxy 0.000647 0.017215 -0.004288 0.004636 0.009389 0.006182 1Rh 4dz2 -0.003332 -0.027702 0.015020 0.004627 -0.009215 -0.005943 1Rh 4dxz 0.002129 -0.034361 0.004776 0.001294 -0.010912 -0.009793 1Rh 4dyz 0.006015 -0.006339 0.001156 0.020021 -0.001502 0.002244 1Rh 4dx2y2 0.000076 0.054201 -0.020091 0.000022 0.011789 0.003270 1Rh 4dxy 0.000720 0.020351 -0.005772 0.002601 0.015381 0.009267 1Rh 5dz2 0.013548 -0.017742 0.009740 0.004647 -0.006972 0.003755 1Rh 5dxz 0.001763 -0.027469 0.008610 0.000508 -0.004509 -0.007724 1Rh 5dyz 0.008146 -0.009552 -0.001021 0.007583 0.006445 -0.004063 1Rh 5dx2y2 -0.011485 0.033720 -0.020619 0.000998 0.017533 0.013542 1Rh 5dxy 0.002946 0.020321 -0.006573 0.014425 -0.004872 0.001766 1Rh 1f0 0.000422 0.000142 -0.000490 0.000273 0.000519 0.000638 1Rh 1f+1 -0.000514 -0.000022 0.000231 0.001181 -0.000940 -0.000406 1Rh 1f-1 -0.000779 -0.000314 0.000027 0.001171 0.000999 0.000098 1Rh 1f+2 0.000322 -0.000319 0.001352 -0.000755 -0.000639 0.000742 1Rh 1f-2 -0.000349 -0.000169 0.000565 0.001080 0.000501 0.001367 1Rh 1f+3 -0.000578 -0.000215 -0.000077 0.000453 0.000081 -0.002161 1Rh 1f-3 -0.000602 -0.000240 0.000045 0.000091 0.000554 0.001174 2C 1s 0.007181 0.010441 0.005003 -0.007483 0.003023 -0.000001 2C 2s 0.015753 0.024104 0.011239 -0.017095 0.006670 0.000231 2C 3s -0.032166 -0.087115 -0.027146 0.052391 -0.015575 -0.006387 2C 4s -0.021149 0.211718 -0.001566 -0.078413 0.012776 0.028456 2C 5s -0.873814 -2.511048 -0.587767 1.146406 -0.499134 -0.040747 2C 1pz 0.023636 0.059362 0.057637 -0.082771 -0.055811 -0.042572 2C 1px -0.037413 0.008758 -0.081936 0.100520 0.076656 -0.032020 2C 1py 0.015536 0.024956 -0.009620 0.007964 0.068171 0.102000 2C 2pz 0.001492 0.006381 0.011555 -0.021425 -0.010454 -0.019101 2C 2px -0.022744 0.002389 -0.020569 0.022624 0.021164 -0.001125 2C 2py -0.002537 0.004442 -0.008019 0.004510 0.017413 0.025251 2C 3pz -0.182481 -0.207961 0.203481 -0.256663 -0.537203 -0.188347 2C 3px -0.001490 -0.083184 -0.681798 0.850195 0.486867 -0.477853 2C 3py -0.041632 -0.291219 -0.126878 0.265536 0.310220 0.632707 2C 1dz2 0.002276 0.002188 0.001806 -0.002428 -0.000257 -0.000863 2C 1dxz -0.001922 0.001811 -0.006139 0.006360 0.004288 -0.006405 2C 1dyz 0.001757 0.003911 0.004846 -0.007286 -0.001524 0.001503 2C 1dx2y2 -0.000684 -0.000601 0.006598 -0.007661 -0.007406 0.001365 2C 1dxy -0.001080 -0.000026 -0.002942 0.003835 0.006521 0.005273 2C 2dz2 -0.019411 -0.028698 -0.008885 0.015174 -0.012788 -0.012119 2C 2dxz -0.022245 -0.019828 -0.028958 0.042014 0.005647 -0.043161 2C 2dyz -0.009463 -0.045737 -0.003058 0.011374 -0.028811 -0.007257 2C 2dx2y2 0.021195 0.019625 0.043107 -0.055822 -0.040993 -0.014751 2C 2dxy 0.001043 -0.016749 -0.025384 0.032377 0.037586 0.037341 2C 1f0 0.001371 0.002583 0.004386 -0.005681 -0.005685 -0.003947 2C 1f+1 0.000324 -0.001187 -0.000774 0.000726 0.000841 0.002994 2C 1f-1 -0.001753 -0.001047 -0.002891 0.003909 0.002225 0.000492 2C 1f+2 -0.002382 -0.004386 -0.002952 0.005157 0.001903 -0.001170 2C 1f-2 0.000178 0.005064 0.000384 -0.001492 0.000469 -0.002226 2C 1f+3 -0.002898 -0.006587 -0.001369 0.003192 -0.003739 -0.005011 2C 1f-3 0.001349 -0.001421 0.001678 -0.002292 -0.002545 0.001318 3C 1s 0.003318 0.011459 0.002230 0.001261 -0.000012 0.008045 3C 2s 0.007327 0.026279 0.004940 0.002740 0.000175 0.018485 3C 3s -0.014632 -0.090334 -0.011668 -0.003788 -0.008415 -0.061384 3C 4s -0.019975 0.202517 -0.017557 -0.024260 0.049598 0.131291 3C 5s -0.465514 -2.583083 0.021329 -0.147412 -0.256337 -1.247215 3C 1pz 0.053304 0.016240 0.096547 0.092733 0.008918 0.000928 3C 1px -0.111968 0.057630 -0.071767 -0.034677 -0.121386 -0.020406 3C 1py -0.037065 -0.042746 -0.003133 0.018146 -0.066443 -0.052016 3C 2pz -0.003583 0.001322 0.013821 0.006967 0.003246 0.014696 3C 2px -0.032252 0.008808 -0.019573 -0.009163 -0.030464 0.010219 3C 2py 0.006442 -0.006779 0.001723 0.025897 -0.024599 -0.036446 3C 3pz 0.231027 -0.312902 0.708536 0.604630 0.103685 -0.075227 3C 3px -0.572641 0.137849 -0.536594 -0.318285 -0.893719 -0.613421 3C 3py -0.062337 0.386037 -0.018225 0.151754 -0.363635 0.021316 3C 1dz2 0.001629 -0.001160 -0.000472 -0.001438 0.002289 -0.000296 3C 1dxz -0.008019 0.004381 -0.008116 -0.003438 -0.011716 -0.005189 3C 1dyz -0.005343 -0.002125 -0.007070 -0.004599 -0.003728 -0.006365 3C 1dx2y2 -0.000365 -0.003084 0.003245 0.003490 -0.001177 -0.002875 3C 1dxy 0.002992 -0.002876 0.004160 0.002593 0.000524 -0.003273 3C 2dz2 0.008021 0.007468 -0.004008 -0.005366 0.019662 0.014467 3C 2dxz -0.067918 0.002809 -0.037687 -0.016740 -0.069959 -0.027575 3C 2dyz -0.017276 0.051897 -0.026098 -0.024759 -0.010269 0.031591 3C 2dx2y2 0.019905 0.031863 0.034173 0.041295 -0.014621 -0.000521 3C 2dxy 0.014026 0.027548 0.028362 0.030272 0.002939 0.017246 3C 1f0 0.001827 0.004627 0.004337 0.005229 -0.001576 0.001149 3C 1f+1 0.005420 -0.000335 0.004106 0.003332 0.003970 0.000396 3C 1f-1 0.001818 0.003573 -0.000630 -0.001708 0.003119 0.003687 3C 1f+2 0.000786 -0.007180 -0.000134 0.000425 0.000240 -0.003848 3C 1f-2 -0.002784 -0.002957 -0.001948 -0.001377 -0.002675 -0.001952 3C 1f+3 -0.003812 -0.000556 -0.000820 0.000947 -0.005136 -0.003434 3C 1f-3 -0.005110 0.003727 -0.003495 -0.002431 -0.004731 0.001060 4C 1s 0.000678 -0.003859 0.002020 0.000226 -0.002887 -0.000626 4C 2s 0.001695 -0.008552 0.005300 -0.000111 -0.006299 -0.001064 4C 3s -0.014582 0.007313 -0.025047 0.011948 0.008872 -0.001427 4C 4s 0.067294 0.139404 0.081825 -0.106792 0.039044 0.051201 4C 5s 0.340886 0.957010 -0.308456 0.044939 0.089809 -0.271410 4C 1pz -0.013133 -0.025903 -0.004143 0.007350 -0.005259 0.024072 4C 1px -0.019265 -0.004096 -0.021274 0.023539 0.017348 0.000686 4C 1py -0.012365 -0.010140 -0.019842 0.022212 -0.014384 -0.026010 4C 2pz -0.050890 -0.088390 -0.040141 0.072006 -0.022193 -0.009807 4C 2px -0.015147 -0.002010 -0.018133 -0.001099 -0.002572 -0.017753 4C 2py -0.016720 -0.049596 -0.046007 0.071840 -0.017927 -0.011961 4C 3pz -0.093587 -0.420433 -0.205415 0.241369 -0.108940 0.190991 4C 3px -0.326043 0.041276 0.062251 -0.178643 -0.082870 0.307744 4C 3py -0.251699 -0.194924 -0.090447 -0.016158 -0.273134 -0.177812 4C 1dz2 -0.000866 0.001152 -0.002765 0.002183 0.003985 0.002191 4C 1dxz 0.001508 0.000009 0.002237 -0.003719 -0.003721 0.000766 4C 1dyz 0.000985 0.004753 0.003226 -0.004852 -0.000381 0.000212 4C 1dx2y2 0.001028 0.000888 0.004063 -0.003801 -0.000510 0.002113 4C 1dxy 0.002246 0.002074 0.005058 -0.005674 -0.001776 0.003379 4C 2dz2 -0.006197 0.013844 0.003190 0.003615 0.014510 0.014572 4C 2dxz 0.011614 0.002839 0.018169 -0.026583 -0.013995 0.009521 4C 2dyz 0.003413 0.023492 0.009885 -0.016317 -0.001472 0.016140 4C 2dx2y2 0.004278 -0.000139 -0.012609 0.007347 -0.000216 -0.002691 4C 2dxy 0.012163 0.012122 0.016405 -0.026196 -0.024492 -0.015013 4C 1f0 -0.000543 -0.001122 0.001732 -0.001750 -0.002632 -0.001239 4C 1f+1 -0.000959 -0.002965 -0.001421 0.002237 0.000531 0.000945 4C 1f-1 -0.000555 -0.000864 -0.000274 0.000351 -0.000276 0.000053 4C 1f+2 0.000714 0.002480 -0.000922 0.000935 0.000881 -0.002435 4C 1f-2 -0.000616 0.000282 -0.000885 0.000799 -0.000185 -0.002616 4C 1f+3 0.000190 0.000232 -0.001311 0.001495 0.001532 0.000670 4C 1f-3 -0.001187 -0.002510 0.000398 0.000957 -0.000526 -0.000681 5C 1s -0.000067 -0.004613 0.001855 -0.000472 0.000177 -0.001724 5C 2s 0.000115 -0.010228 0.004844 -0.000730 0.000432 -0.003344 5C 3s -0.007106 0.008129 -0.018690 -0.007347 0.000195 -0.002613 5C 4s 0.064779 0.151485 0.078381 0.091015 0.020825 0.080721 5C 5s 0.112468 1.025480 -0.529151 -0.060121 -0.078751 -0.022970 5C 1pz 0.005337 -0.015661 -0.015270 -0.010660 0.015443 -0.016832 5C 1px -0.019586 -0.006931 -0.023515 -0.002114 -0.018451 -0.026661 5C 1py -0.000747 0.027367 -0.015936 -0.012460 -0.003335 0.026169 5C 2pz -0.028331 -0.041054 -0.025507 0.002588 -0.021736 -0.067957 5C 2px 0.004126 -0.050177 -0.031100 0.001124 0.045319 -0.047379 5C 2py 0.031986 0.080986 0.022439 0.033648 0.014010 0.077537 5C 3pz -0.017082 -0.223479 -0.109792 -0.246049 -0.007075 -0.140267 5C 3px -0.104803 -0.274569 0.079149 0.106125 0.360284 0.237002 5C 3py 0.049803 0.400205 -0.194493 -0.165573 0.096146 0.301692 5C 1dz2 -0.002089 -0.001405 -0.005268 -0.003218 -0.001359 -0.003186 5C 1dxz 0.000690 -0.000203 -0.000480 -0.000479 0.001533 -0.000267 5C 1dyz 0.000353 -0.004711 -0.001248 -0.000695 -0.000417 -0.003714 5C 1dx2y2 0.003274 -0.001040 0.003360 0.000677 0.003312 0.002192 5C 1dxy -0.005492 -0.000250 -0.004722 -0.001659 -0.006853 -0.004027 5C 2dz2 -0.021962 -0.003125 -0.002939 -0.004774 -0.018447 -0.003146 5C 2dxz 0.034415 -0.008562 0.014496 0.014141 0.031094 -0.000840 5C 2dyz 0.007870 -0.030811 -0.003891 -0.009190 0.009883 -0.009140 5C 2dx2y2 0.005970 -0.017042 -0.012229 -0.015088 0.024367 0.009974 5C 2dxy -0.044746 0.006951 -0.027308 -0.024445 -0.038109 0.007873 5C 1f0 0.001155 -0.001416 0.000647 0.000389 0.000927 -0.000828 5C 1f+1 0.000407 -0.001784 0.000365 -0.000788 -0.000657 -0.000639 5C 1f-1 0.000149 -0.000085 -0.002206 -0.002238 0.001628 0.000574 5C 1f+2 -0.001068 0.001000 -0.000923 0.000835 -0.001826 -0.000905 5C 1f-2 -0.000640 0.003057 -0.000825 -0.000652 -0.001158 0.001006 5C 1f+3 -0.001902 -0.002115 -0.001067 -0.001237 -0.002794 -0.002605 5C 1f-3 -0.000596 0.003139 -0.002473 -0.001673 -0.000697 0.000150 6C 1s -0.000125 -0.004629 0.001920 0.000341 0.000235 0.001647 6C 2s -0.000554 -0.010252 0.004970 0.000415 0.000546 0.003184 6C 3s 0.007577 0.007926 -0.018416 0.008009 0.000241 0.002594 6C 4s -0.060596 0.154153 0.072947 -0.091101 0.018645 -0.079261 6C 5s -0.071935 1.028509 -0.532091 0.096598 -0.080911 0.032264 6C 1pz 0.005644 0.015640 0.013920 -0.010123 -0.015216 -0.014672 6C 1px -0.019561 0.007691 0.023071 -0.003351 0.016901 -0.027205 6C 1py -0.001823 -0.027303 0.015239 -0.013148 0.004162 0.026329 6C 2pz -0.028627 0.042361 0.024259 0.002276 0.020022 -0.066841 6C 2px 0.008183 0.049682 0.030492 0.000501 -0.045185 -0.045429 6C 2py 0.030852 -0.082482 -0.019868 0.032798 -0.011747 0.076838 6C 3pz -0.016298 0.227620 0.094504 -0.238077 0.001764 -0.129252 6C 3px -0.082002 0.274696 -0.082817 0.118957 -0.341036 0.253961 6C 3py 0.041707 -0.402081 0.186825 -0.175255 -0.083712 0.303975 6C 1dz2 0.002131 -0.001513 -0.005085 0.003369 -0.001264 0.003141 6C 1dxz -0.000711 -0.000181 -0.000431 0.000419 0.001490 0.000170 6C 1dyz -0.000447 -0.004697 -0.001205 0.000682 -0.000401 0.003718 6C 1dx2y2 -0.003407 -0.000925 0.003345 -0.000915 0.003112 -0.002351 6C 1dxy 0.005596 -0.000489 -0.004628 0.001996 -0.006471 0.004353 6C 2dz2 0.022105 -0.003964 -0.002654 0.005109 -0.017620 0.003869 6C 2dxz -0.035839 -0.007230 0.013760 -0.015142 0.030058 -0.000230 6C 2dyz -0.009207 -0.030499 -0.003447 0.008774 0.009576 0.008649 6C 2dx2y2 -0.006745 -0.016830 -0.011385 0.014524 0.022843 -0.011453 6C 2dxy 0.046553 0.005254 -0.025925 0.025719 -0.037341 -0.006679 6C 1f0 0.001262 0.001369 -0.000634 0.000435 -0.000951 -0.000800 6C 1f+1 0.000446 0.001769 -0.000398 -0.000734 0.000611 -0.000659 6C 1f-1 0.000178 0.000095 0.002071 -0.002231 -0.001570 0.000710 6C 1f+2 -0.001120 -0.000943 0.000988 0.000681 0.001732 -0.001024 6C 1f-2 -0.000832 -0.003014 0.000787 -0.000686 0.001141 0.000998 6C 1f+3 -0.001850 0.002199 0.001019 -0.001306 0.002573 -0.002706 6C 1f-3 -0.000731 -0.003094 0.002434 -0.001824 0.000619 0.000111 7C 1s -0.000815 -0.003817 0.001976 -0.000294 -0.002803 0.000719 7C 2s -0.002015 -0.008455 0.005228 -0.000068 -0.006120 0.001275 7C 3s 0.015015 0.006892 -0.025494 -0.011115 0.008715 0.000762 7C 4s -0.063707 0.140288 0.087241 0.104548 0.036096 -0.049477 7C 5s -0.298912 0.966091 -0.309169 -0.033054 0.094537 0.274652 7C 1pz -0.012035 0.026308 0.004868 0.007703 0.006163 0.023977 7C 1px -0.018882 0.004339 0.022012 0.022947 -0.016793 0.000807 7C 1py -0.012703 0.010563 0.020321 0.020709 0.013384 -0.025781 7C 2pz -0.048364 0.089718 0.043066 0.069865 0.022393 -0.009807 7C 2px -0.014690 0.002375 0.018324 -0.000963 0.001618 -0.018134 7C 2py -0.016294 0.049918 0.049118 0.070314 0.017285 -0.011042 7C 3pz -0.078982 0.421522 0.216691 0.234975 0.119170 0.189354 7C 3px -0.325293 -0.029503 -0.073216 -0.171797 0.085309 0.307252 7C 3py -0.250022 0.206215 0.084617 -0.028293 0.265396 -0.184641 7C 1dz2 0.000847 0.001153 -0.002825 -0.002131 0.003795 -0.002308 7C 1dxz -0.001487 -0.000012 0.002284 0.003576 -0.003585 -0.000696 7C 1dyz -0.000849 0.004764 0.003449 0.004819 -0.000319 -0.000172 7C 1dx2y2 -0.001058 0.000889 0.004159 0.003593 -0.000516 -0.002019 7C 1dxy -0.002241 0.002107 0.005268 0.005492 -0.001828 -0.003346 7C 2dz2 0.006494 0.013613 0.003174 -0.003778 0.013416 -0.014619 7C 2dxz -0.011956 0.002828 0.018471 0.025008 -0.013604 -0.009026 7C 2dyz -0.002804 0.023523 0.010714 0.016084 -0.002241 -0.015630 7C 2dx2y2 -0.004186 -0.000038 -0.012696 -0.006952 -0.000106 0.002490 7C 2dxy -0.011314 0.012011 0.016903 0.025423 -0.022970 0.015785 7C 1f0 -0.000539 0.001172 -0.001778 -0.001724 0.002482 -0.001299 7C 1f+1 -0.000837 0.002957 0.001492 0.002195 -0.000427 0.000985 7C 1f-1 -0.000515 0.000874 0.000249 0.000281 0.000313 0.000042 7C 1f+2 0.000600 -0.002511 0.000881 0.000787 -0.000896 -0.002424 7C 1f-2 -0.000640 -0.000266 0.000910 0.000741 0.000112 -0.002654 7C 1f+3 0.000170 -0.000266 0.001404 0.001508 -0.001487 0.000707 7C 1f-3 -0.001095 0.002542 -0.000360 0.000943 0.000536 -0.000709 8C 1s -0.002961 0.011658 0.002034 -0.001199 -0.000239 -0.007925 8C 2s -0.006507 0.026727 0.004506 -0.002603 -0.000361 -0.018222 8C 3s 0.011798 -0.091456 -0.010744 0.003565 -0.006326 0.061117 8C 4s 0.026793 0.202765 -0.016855 0.024719 0.043755 -0.133212 8C 5s 0.387792 -2.609411 0.046704 0.117214 -0.213498 1.238669 8C 1pz 0.053666 -0.019019 -0.090820 0.093969 -0.008447 -0.001412 8C 1px -0.116014 -0.053223 0.070708 -0.041560 0.115275 -0.026464 8C 1py -0.036775 0.044108 0.004598 0.015562 0.063111 -0.056490 8C 2pz -0.003870 -0.001474 -0.013480 0.007574 -0.002403 0.014704 8C 2px -0.032748 -0.007731 0.018783 -0.010593 0.029584 0.008449 8C 2py 0.006821 0.006744 -0.000493 0.024641 0.022905 -0.038419 8C 3pz 0.248145 0.297627 -0.674489 0.624482 -0.101809 -0.086815 8C 3px -0.596486 -0.111328 0.531240 -0.364318 0.835603 -0.653916 8C 3py -0.080290 -0.385581 0.038096 0.126625 0.351294 -0.012973 8C 1dz2 -0.001567 -0.001092 -0.000457 0.001399 0.002051 0.000174 8C 1dxz 0.008316 0.004028 -0.007974 0.004057 -0.011046 0.005816 8C 1dyz 0.005398 -0.002369 -0.006810 0.004869 -0.003451 0.006414 8C 1dx2y2 0.000183 -0.003076 0.003114 -0.003531 -0.000928 0.002946 8C 1dxy -0.003152 -0.002781 0.004100 -0.002839 0.000660 0.003246 8C 2dz2 -0.007102 0.008060 -0.004072 0.005069 0.017755 -0.015673 8C 2dxz 0.069303 0.000096 -0.036298 0.019429 -0.066645 0.031109 8C 2dyz 0.019857 0.051308 -0.025162 0.025821 -0.010827 -0.031185 8C 2dx2y2 -0.019630 0.032589 0.031570 -0.040482 -0.013290 0.002266 8C 2dxy -0.014236 0.028230 0.027057 -0.030713 0.002791 -0.016342 8C 1f0 0.001834 -0.004737 -0.004069 0.005189 0.001425 0.000940 8C 1f+1 0.005516 0.000275 -0.003852 0.003450 -0.003821 0.000471 8C 1f-1 0.001696 -0.003619 0.000592 -0.001646 -0.002899 0.003864 8C 1f+2 0.001049 0.007141 0.000142 0.000448 -0.000346 -0.003770 8C 1f-2 -0.002745 0.003203 0.001849 -0.001441 0.002542 -0.002149 8C 1f+3 -0.003781 0.000792 0.000819 0.000771 0.004774 -0.003761 8C 1f-3 -0.005406 -0.003476 0.003393 -0.002678 0.004630 0.000783 9C 1s -0.006932 0.010632 0.005395 0.007367 0.003001 -0.000022 9C 2s -0.015169 0.024522 0.012132 0.016842 0.006623 -0.000276 9C 3s 0.029812 -0.087965 -0.029823 -0.052077 -0.015509 0.006448 9C 4s 0.028294 0.211154 0.002350 0.080340 0.013285 -0.028865 9C 5s 0.796764 -2.534988 -0.641382 -1.134293 -0.501206 0.044813 9C 1pz 0.021117 -0.059042 -0.061310 -0.082890 0.052710 -0.044751 9C 1px -0.038049 -0.008918 0.083557 0.095565 -0.073826 -0.030580 9C 1py 0.016423 -0.026274 0.010630 0.010501 -0.063481 0.103745 9C 2pz 0.001489 -0.006245 -0.012816 -0.022050 0.009296 -0.018948 9C 2px -0.022693 -0.001832 0.020557 0.021160 -0.020250 -0.000577 9C 2py -0.002699 -0.004649 0.008162 0.004569 -0.016750 0.026660 9C 3pz -0.182066 0.218504 -0.216190 -0.261702 0.517345 -0.201354 9C 3px -0.002217 0.071458 0.707074 0.814980 -0.474211 -0.470270 9C 3py -0.018958 0.287106 0.144106 0.277722 -0.277724 0.638117 9C 1dz2 -0.002184 0.002211 0.001912 0.002407 -0.000212 0.000823 9C 1dxz 0.002077 0.001807 -0.006402 -0.006180 0.004460 0.006343 9C 1dyz -0.001630 0.003915 0.005094 0.007066 -0.001443 -0.001328 9C 1dx2y2 0.000728 -0.000715 0.006841 0.007475 -0.007260 -0.000968 9C 1dxy 0.000946 0.000037 -0.002816 -0.003569 0.005917 -0.005486 9C 2dz2 0.018523 -0.029014 -0.009296 -0.014332 -0.012066 0.011730 9C 2dxz 0.022501 -0.020131 -0.030386 -0.040080 0.007007 0.042713 9C 2dyz 0.008577 -0.046286 -0.004188 -0.011706 -0.028121 0.008545 9C 2dx2y2 -0.020171 0.019880 0.045089 0.054889 -0.039837 0.018128 9C 2dxy -0.002782 -0.016099 -0.025801 -0.031612 0.033967 -0.038292 9C 1f0 0.001196 -0.002567 -0.004580 -0.005653 0.005383 -0.004243 9C 1f+1 0.000473 0.001085 0.000703 0.000629 -0.000583 0.002961 9C 1f-1 -0.001701 0.001125 0.003014 0.003809 -0.002114 0.000668 9C 1f+2 -0.002279 0.004609 0.003141 0.005102 -0.001802 -0.001027 9C 1f-2 -0.000066 -0.004940 -0.000413 -0.001473 -0.000598 -0.002232 9C 1f+3 -0.002825 0.006581 0.001560 0.003106 0.003422 -0.005142 9C 1f-3 0.001310 0.001685 -0.001641 -0.002037 0.002651 0.001064 10H 1s 0.004475 0.001077 0.023583 -0.027475 -0.020100 0.012184 10H 2s -0.083658 -0.083088 -0.060309 0.106100 0.042831 0.018679 10H 3s 0.447137 0.758506 1.260402 -1.708145 -0.854924 0.495973 10H 1pz -0.010284 -0.011087 -0.014842 0.020945 0.008247 -0.005579 10H 1px 0.013237 0.017086 0.023424 -0.033081 -0.016518 0.005112 10H 1py -0.003979 -0.004976 -0.005663 0.008825 0.006040 0.003627 11H 1s -0.000535 0.002667 -0.005864 0.006065 0.000134 -0.014637 11H 2s 0.021428 -0.057804 -0.031647 0.033257 0.032871 0.088527 11H 3s 0.061767 0.785407 -0.092231 -0.060525 -0.093445 -1.064801 11H 1pz -0.000362 -0.012073 0.001962 -0.000686 -0.001974 0.015206 11H 1px 0.000598 -0.012807 -0.005326 0.008546 0.006705 0.015091 11H 1py -0.000196 0.008638 -0.001674 0.000741 -0.000341 -0.012237 12H 1s -0.000129 -0.000466 -0.013182 0.016681 0.017738 0.004498 12H 2s -0.006940 -0.047813 0.030632 -0.023016 -0.114773 -0.136114 12H 3s 0.191087 0.539792 -0.502808 0.551503 1.221923 0.837718 12H 1pz 0.000988 0.002271 -0.001888 0.002421 0.005391 0.006881 12H 1px -0.001194 -0.005594 0.000262 0.000364 -0.010780 -0.015482 12H 1py -0.003851 -0.013452 0.012565 -0.012422 -0.028981 -0.018948 13H 1s 0.019848 -0.006018 0.025812 0.012782 0.023973 0.014322 13H 2s -0.155251 -0.033308 -0.083312 -0.087099 -0.079697 0.014136 13H 3s 1.311885 0.276634 1.366429 0.944318 1.318947 0.841303 13H 1pz -0.025379 -0.005944 -0.018966 -0.013415 -0.022424 -0.010788 13H 1px 0.024239 0.005145 0.022192 0.017129 0.018765 0.007904 13H 1py 0.013309 0.004044 0.011386 0.008781 0.008508 0.004985 14H 1s -0.010941 0.004980 -0.008201 -0.000185 -0.021121 -0.013903 14H 2s 0.086844 -0.101693 -0.031318 -0.049939 0.103002 -0.037229 14H 3s -0.626000 0.988576 -0.140038 0.200749 -1.178453 -0.212013 14H 1pz 0.011837 -0.015186 0.006709 0.000539 0.018248 0.002415 14H 1px 0.014491 -0.022396 -0.002792 -0.008446 0.023657 -0.002045 14H 1py 0.002710 -0.003202 -0.000157 -0.000985 0.004042 0.002303 15H 1s -0.004974 0.003175 -0.011056 -0.009433 0.000103 -0.001289 15H 2s 0.020237 -0.062531 0.059271 0.093825 -0.046715 -0.100945 15H 3s -0.203261 0.793954 -0.806574 -0.839127 0.224530 0.514962 15H 1pz -0.002525 0.012591 -0.011101 -0.014328 0.006338 0.011488 15H 1px -0.002547 -0.002313 -0.001602 0.001601 -0.007989 -0.009075 15H 1py -0.005917 0.016832 -0.015433 -0.016507 0.002175 0.013384 16H 1s -0.027219 0.009478 -0.015029 0.007489 -0.001854 0.013803 16H 2s -0.035737 -0.006060 -0.041372 0.016484 -0.002535 0.002649 16H 3s -0.831896 0.288646 -0.389935 0.198921 -0.075213 0.490166 16H 1pz 0.021232 -0.008470 0.010095 -0.005978 0.001462 -0.012255 16H 1px -0.002416 0.002006 -0.000398 0.000236 -0.000488 0.001632 16H 1py 0.010579 -0.003232 0.005804 -0.003681 0.001273 -0.004848 17H 1s 0.002413 0.008495 0.010623 -0.008491 0.005827 0.009792 17H 2s 0.012145 -0.003028 0.008191 -0.000644 0.019052 -0.002527 17H 3s 0.035592 0.261284 0.345628 -0.306335 0.101462 0.392127 17H 1pz 0.001412 0.004268 0.005302 -0.004948 0.001437 0.006040 17H 1px 0.001631 0.006247 0.007291 -0.006302 0.001760 0.006422 17H 1py -0.003308 -0.003702 -0.007132 0.006017 -0.001711 -0.005476 18H 1s -0.002070 0.008486 0.011146 0.008001 0.005680 -0.010181 18H 2s -0.011753 -0.002345 0.008186 0.000013 0.019043 0.000540 18H 3s -0.024371 0.259432 0.363988 0.292089 0.093538 -0.399348 18H 1pz 0.001332 -0.004330 -0.005767 -0.004867 -0.001408 0.006203 18H 1px 0.001439 -0.006216 -0.007690 -0.006019 -0.001693 0.006481 18H 1py -0.003109 0.003591 0.007252 0.005530 0.001612 -0.005378 19H 1s 0.027460 0.008688 -0.015051 -0.006789 -0.002388 -0.013548 19H 2s 0.035879 -0.006717 -0.041598 -0.015020 -0.002599 -0.002704 19H 3s 0.839448 0.264421 -0.388828 -0.179514 -0.096402 -0.482698 19H 1pz 0.021157 0.007752 -0.009988 -0.005385 -0.001954 -0.011928 19H 1px -0.002641 -0.001985 0.000482 0.000236 0.000566 0.001667 19H 1py 0.011086 0.003073 -0.006076 -0.003527 -0.001535 -0.004976 20H 1s 0.005221 0.002917 -0.010600 0.009699 0.000025 0.001011 20H 2s -0.023396 -0.061953 0.054017 -0.091941 -0.042537 0.105553 20H 3s 0.239896 0.784015 -0.762845 0.850735 0.197354 -0.548849 20H 1pz -0.003138 -0.012516 0.010357 -0.014293 -0.005718 0.012185 20H 1px -0.002458 0.002593 0.001620 0.001389 0.007389 -0.009694 20H 1py -0.006725 -0.016558 0.014619 -0.016708 -0.001636 0.013758 21H 1s 0.011287 0.004545 -0.008298 0.001211 -0.019640 0.015062 21H 2s -0.091227 -0.098569 -0.028531 0.045540 0.099748 0.029889 21H 3s 0.669912 0.966360 -0.163586 -0.142274 -1.114392 0.290250 21H 1pz 0.012663 0.014846 -0.006796 0.001505 -0.017509 0.003490 21H 1px 0.015344 0.021832 0.002209 -0.007380 -0.022467 -0.000423 21H 1py 0.002902 0.003156 0.000094 -0.000850 -0.003824 0.002527 22H 1s -0.020445 -0.005125 0.025317 -0.014389 0.022587 -0.015423 22H 2s 0.157531 -0.039271 -0.077186 0.089354 -0.077725 -0.012289 22H 3s -1.334359 0.337132 1.317583 -1.013217 1.244457 -0.889871 22H 1pz -0.025563 0.006956 0.018056 -0.014270 0.021121 -0.011616 22H 1px 0.024739 -0.006236 -0.021270 0.018124 -0.017983 0.008539 22H 1py 0.013598 -0.004648 -0.010935 0.009302 -0.008190 0.005197 23H 1s -0.000212 -0.000193 -0.013544 -0.016177 0.016798 -0.005105 23H 2s 0.007733 -0.048893 0.031041 0.025016 -0.107697 0.140257 23H 3s -0.197167 0.560381 -0.511593 -0.543107 1.151826 -0.876170 23H 1pz 0.001073 -0.002435 0.001975 0.002459 -0.005084 0.007213 23H 1px -0.001269 0.005539 0.000044 0.000356 0.009584 -0.015552 23H 1py -0.003925 0.013947 -0.012769 -0.012292 0.027577 -0.020066 24H 1s 0.000875 0.002671 -0.006140 -0.005710 0.000702 0.014728 24H 2s -0.024810 -0.056814 -0.035138 -0.037220 0.029173 -0.089705 24H 3s -0.018911 0.786224 -0.080857 0.090868 -0.049810 1.070173 24H 1pz 0.000243 0.012035 -0.001813 -0.000179 0.002494 0.015145 24H 1px 0.001320 0.012864 0.005820 0.008923 -0.005866 0.015598 24H 1py -0.000623 -0.008460 0.001589 0.000362 -0.000116 -0.012048 25H 1s -0.004485 0.000881 0.024452 0.026577 -0.019761 -0.011637 25H 2s 0.081310 -0.084566 -0.062659 -0.102893 0.040647 -0.022267 25H 3s -0.426409 0.754940 1.317453 1.660494 -0.833642 -0.462016 25H 1pz -0.010123 0.011313 0.015612 0.020474 -0.008169 -0.005162 25H 1px 0.012742 -0.017139 -0.024411 -0.032117 0.016002 0.004247 25H 1py -0.003598 0.004793 0.005648 0.008276 -0.005466 0.003914 26O 1s -0.002654 -0.009005 -0.003077 0.005198 -0.001244 -0.003166 26O 2s -0.006324 -0.022266 -0.007739 0.012682 -0.003110 -0.007940 26O 3s 0.009234 0.042074 0.016068 -0.021359 0.006472 0.015337 26O 4s 0.021524 0.043861 0.003590 -0.035935 0.000434 0.016559 26O 5s 0.036632 0.117269 0.129416 -0.015089 0.138298 0.086442 26O 1pz 0.010291 0.058323 -0.019399 0.000277 0.017392 -0.018456 26O 1px -0.010512 -0.015341 -0.019189 0.030914 0.015205 -0.008459 26O 1py 0.008095 0.031114 -0.012020 0.002941 0.022353 0.025915 26O 2pz 0.006653 0.049888 -0.019754 0.001733 0.017485 -0.011928 26O 2px 0.005040 -0.012737 -0.017034 0.022159 0.012636 -0.021067 26O 2py 0.008330 0.027635 -0.010972 0.000342 0.017982 0.016474 26O 3pz 0.000575 0.108186 -0.017923 -0.008220 0.024635 -0.051513 26O 3px -0.061773 0.007757 -0.049955 0.026041 -0.059344 0.017679 26O 3py -0.004543 0.064065 -0.035967 0.015583 0.028507 0.073674 26O 1dz2 0.000445 -0.000572 0.000468 0.000040 0.000063 0.000154 26O 1dxz -0.000128 0.000120 -0.000276 0.000333 0.000435 -0.000663 26O 1dyz -0.000262 -0.000316 0.000204 0.000121 0.000051 -0.000238 26O 1dx2y2 -0.000522 0.000632 -0.000245 -0.000094 -0.000674 0.000190 26O 1dxy -0.000778 0.000324 -0.000633 0.000350 0.000462 0.000629 26O 2dz2 0.001799 -0.001011 0.002301 -0.002870 -0.000409 0.001866 26O 2dxz -0.000289 0.000083 -0.002395 0.003297 0.002824 -0.001168 26O 2dyz 0.000005 0.002801 0.004223 -0.005667 -0.001013 0.001700 26O 2dx2y2 -0.002759 0.002473 -0.001560 0.001525 0.004122 0.002131 26O 2dxy -0.002527 0.002178 -0.000804 0.000496 0.004794 0.002493 26O 1f0 -0.000205 -0.000146 -0.000040 0.000113 0.000008 -0.000345 26O 1f+1 -0.000082 0.000374 -0.000055 -0.000216 -0.000073 -0.000158 26O 1f-1 0.000050 0.000137 -0.000034 -0.000140 0.000114 -0.000064 26O 1f+2 0.000099 0.000086 0.000288 -0.000282 -0.000128 -0.000068 26O 1f-2 0.000189 0.000287 -0.000134 -0.000122 0.000050 0.000112 26O 1f+3 0.000061 0.000365 -0.000068 -0.000196 -0.000007 -0.000077 26O 1f-3 -0.000184 0.000085 0.000007 -0.000143 0.000186 0.000332 27O 1s 0.000795 -0.010482 -0.001101 0.002100 -0.003300 -0.009618 27O 2s 0.002476 -0.026145 -0.002712 0.005399 -0.007658 -0.024033 27O 3s -0.011361 0.052392 0.003907 -0.013442 0.007915 0.048549 27O 4s 0.030304 0.031522 0.013054 0.012234 0.053822 0.022684 27O 5s -0.165451 0.300836 0.031171 -0.124402 -0.233790 0.242215 27O 1pz 0.012965 0.035172 0.009220 0.028093 0.013309 0.005795 27O 1px -0.035699 0.011506 -0.022546 -0.013600 -0.028837 -0.001725 27O 1py -0.007972 -0.052984 0.027295 0.019917 -0.008799 0.002484 27O 2pz 0.005610 0.031764 0.004411 0.021170 0.009412 0.010843 27O 2px -0.014795 0.004464 -0.025794 -0.013576 -0.008510 -0.005089 27O 2py -0.008939 -0.047623 0.023939 0.018769 -0.009361 0.001166 27O 3pz -0.017981 0.063539 0.007158 0.037753 -0.014742 0.012756 27O 3px -0.039587 -0.017741 -0.020986 0.022324 0.039322 -0.034771 27O 3py 0.041164 -0.081023 0.081099 0.036646 -0.023918 -0.040605 27O 1dz2 0.000257 0.000028 0.000019 -0.000438 -0.000044 0.000439 27O 1dxz -0.000754 0.000226 -0.000055 -0.000260 -0.001059 0.000289 27O 1dyz -0.000066 0.000262 -0.000604 -0.000198 0.000350 0.000179 27O 1dx2y2 0.000362 0.000246 -0.000063 0.000510 0.001024 -0.000508 27O 1dxy 0.000986 -0.000243 0.000891 0.000150 0.000398 -0.000462 27O 2dz2 0.003233 -0.004726 0.000130 -0.000157 0.005433 -0.002547 27O 2dxz 0.001199 -0.001393 0.000978 0.001521 0.000466 -0.001225 27O 2dyz -0.001217 -0.001331 -0.004933 -0.002452 -0.001849 -0.007104 27O 2dx2y2 -0.002351 0.004356 -0.000604 -0.002027 -0.003356 0.001943 27O 2dxy 0.003070 -0.004085 0.001659 0.000852 0.004013 -0.001003 27O 1f0 -0.000101 -0.000244 0.000073 0.000089 -0.000158 -0.000158 27O 1f+1 -0.000096 0.000197 0.000222 0.000208 -0.000200 0.000237 27O 1f-1 0.000136 -0.000025 -0.000022 -0.000067 0.000268 0.000036 27O 1f+2 0.000119 0.000144 0.000057 -0.000084 0.000260 0.000013 27O 1f-2 0.000066 -0.000155 0.000230 0.000021 0.000016 0.000143 27O 1f+3 0.000135 0.000496 0.000052 0.000107 0.000263 0.000426 27O 1f-3 0.000120 0.000147 0.000226 0.000206 0.000346 -0.000023 28O 1s -0.002546 -0.010455 0.002728 0.000304 -0.003738 0.005596 28O 2s -0.006497 -0.025943 0.006378 0.000922 -0.009319 0.014005 28O 3s 0.014968 0.050331 -0.006994 -0.003724 0.019129 -0.028578 28O 4s 0.000478 0.037756 -0.040251 0.013192 0.005009 -0.014901 28O 5s 0.058253 0.256446 0.157123 -0.221885 0.094329 -0.086214 28O 1pz 0.005148 0.048783 0.011574 -0.030079 -0.018344 -0.029253 28O 1px -0.011015 0.027489 0.008112 -0.016333 0.004571 0.006577 28O 1py 0.004732 0.029956 -0.007759 -0.012079 0.027451 0.055934 28O 2pz -0.006520 0.046030 0.005649 -0.021199 -0.009677 -0.017305 28O 2px -0.002568 0.028920 0.011773 -0.020699 0.000769 0.001288 28O 2py -0.001346 0.027447 -0.007399 -0.012286 0.022040 0.047360 28O 3pz 0.099247 0.030524 -0.016359 0.015709 -0.042776 -0.111269 28O 3px -0.008909 0.040261 0.045377 -0.082965 0.019478 0.016065 28O 3py 0.070921 0.034568 0.003004 -0.007235 0.035759 0.022707 28O 1dz2 0.000897 -0.000347 0.000436 -0.000577 -0.000364 -0.000117 28O 1dxz -0.000504 -0.000377 0.000476 -0.000423 -0.000190 0.000066 28O 1dyz 0.000525 -0.000335 0.001192 -0.000786 -0.000702 0.000102 28O 1dx2y2 -0.000469 0.000206 -0.000379 0.000354 0.000301 0.000368 28O 1dxy -0.000501 -0.000166 -0.000112 0.000201 -0.000125 0.000432 28O 2dz2 0.001090 0.003455 0.003672 -0.004737 -0.004172 -0.002485 28O 2dxz 0.001081 -0.004352 0.000314 0.004530 -0.002298 -0.001264 28O 2dyz 0.002987 0.002535 0.004425 -0.004758 0.001428 0.004137 28O 2dx2y2 -0.000329 0.002427 0.000708 -0.003694 -0.000974 0.000138 28O 2dxy 0.000978 -0.000130 0.001924 -0.001477 -0.001628 -0.002988 28O 1f0 -0.000042 0.000345 -0.000317 0.000060 0.000166 0.000064 28O 1f+1 0.000032 -0.000076 0.000318 -0.000232 -0.000183 -0.000147 28O 1f-1 -0.000030 0.000199 -0.000354 0.000278 0.000052 -0.000284 28O 1f+2 0.000082 -0.000413 0.000117 0.000274 -0.000215 -0.000124 28O 1f-2 0.000065 -0.000148 0.000375 -0.000185 0.000015 0.000395 28O 1f+3 0.000091 -0.000297 0.000151 0.000179 -0.000161 -0.000176 28O 1f-3 0.000077 -0.000198 -0.000006 0.000028 0.000041 0.000248 29O 1s -0.006451 0.003904 -0.002295 0.001103 0.001738 0.003041 29O 2s -0.016614 0.010128 -0.005677 0.002557 0.004238 0.008386 29O 3s 0.041858 -0.026940 0.010360 -0.002056 -0.007013 -0.029732 29O 4s -0.022600 0.017107 0.010192 -0.017106 -0.011702 0.051765 29O 5s 0.325891 -0.182818 0.060243 0.006795 -0.034785 -0.285888 29O 1pz -0.084812 0.012789 -0.063274 0.039511 -0.013869 0.028983 29O 1px 0.000254 -0.023204 -0.025348 0.026994 -0.006353 -0.048826 29O 1py -0.034904 0.027119 -0.000056 -0.006257 0.004072 0.043654 29O 2pz -0.046803 0.006737 -0.040328 0.024381 -0.007712 0.015853 29O 2px -0.000823 -0.010511 -0.009693 0.013718 -0.007782 -0.027793 29O 2py -0.021117 0.014487 -0.003283 -0.002348 0.003250 0.025878 29O 3pz -0.198753 0.023363 -0.139730 0.076809 -0.042296 0.069373 29O 3px -0.022317 -0.055081 -0.083014 0.070252 0.000802 -0.100558 29O 3py -0.081933 0.052854 -0.001370 -0.012993 0.013424 0.088833 29O 1dz2 -0.000643 0.000231 -0.000295 0.000003 -0.000145 0.000609 29O 1dxz 0.000263 0.000015 0.000358 -0.000242 0.000139 0.000377 29O 1dyz -0.000273 -0.000171 -0.000384 0.000104 -0.000235 -0.000175 29O 1dx2y2 -0.000605 0.000282 -0.000253 0.000130 0.000124 0.000138 29O 1dxy -0.000467 0.000174 -0.000238 0.000045 -0.000032 0.000356 29O 2dz2 -0.008636 0.003446 -0.003441 0.001669 -0.000587 0.006361 29O 2dxz 0.002156 0.001215 0.003263 -0.002980 0.000874 0.002478 29O 2dyz -0.006135 0.000282 -0.005399 0.004329 -0.001123 -0.000067 29O 2dx2y2 -0.000059 0.002042 0.001018 -0.000578 0.000468 0.000325 29O 2dxy -0.001447 -0.001164 -0.002348 0.002153 -0.000722 -0.000354 29O 1f0 -0.000156 -0.000357 -0.000465 0.000295 -0.000040 -0.000286 29O 1f+1 -0.000463 0.000145 -0.000322 0.000234 -0.000092 0.000058 29O 1f-1 0.000756 -0.000443 0.000195 -0.000126 0.000139 -0.000597 29O 1f+2 -0.000349 0.000158 -0.000216 0.000173 -0.000065 0.000102 29O 1f-2 -0.000266 -0.000235 -0.000462 0.000417 0.000015 -0.000342 29O 1f+3 0.000320 0.000121 0.000228 -0.000144 0.000020 -0.000105 29O 1f-3 0.000180 0.000067 0.000142 -0.000090 0.000036 -0.000105 30O 1s -0.000717 -0.009361 0.004093 0.000233 -0.000544 -0.000205 30O 2s -0.002077 -0.023175 0.010063 0.000624 -0.001486 -0.000631 30O 3s 0.006787 0.044958 -0.018872 -0.002642 0.003806 0.004139 30O 4s -0.005732 0.035570 -0.015602 0.010948 -0.005734 -0.027614 30O 5s 0.151999 0.120423 0.012860 0.040837 0.229402 0.183142 30O 1pz 0.000008 0.024153 0.019149 0.035352 -0.004215 -0.008319 30O 1px -0.020075 0.044899 0.011335 0.014763 0.001333 0.027947 30O 1py -0.024218 -0.039435 0.005999 0.002745 -0.045024 -0.022026 30O 2pz -0.014649 0.024674 0.010370 0.021773 -0.007327 0.001297 30O 2px -0.000901 0.035875 0.015060 0.018700 0.015471 0.015008 30O 2py -0.003833 -0.042449 0.008075 0.004373 -0.030396 -0.031741 30O 3pz 0.057939 0.049055 0.022384 0.064101 -0.045032 -0.081755 30O 3px 0.005339 0.035837 0.004284 -0.007178 0.052196 0.120386 30O 3py -0.088196 -0.056292 0.035145 0.018451 -0.010353 0.078922 30O 1dz2 0.000379 0.000043 -0.000374 -0.000425 0.000177 0.000357 30O 1dxz -0.000333 -0.000562 0.000015 -0.000200 0.000002 0.000356 30O 1dyz -0.000982 0.000236 -0.000887 -0.000139 -0.000326 -0.000008 30O 1dx2y2 -0.000780 0.000588 -0.000253 0.000339 -0.000418 -0.000871 30O 1dxy -0.000127 0.000812 -0.000713 -0.000242 -0.000304 -0.000572 30O 2dz2 -0.003634 0.000123 -0.001123 0.000988 -0.005908 -0.003191 30O 2dxz -0.001471 -0.000285 -0.000893 -0.001084 -0.005411 -0.002460 30O 2dyz -0.004221 -0.003036 -0.004479 -0.002086 -0.004102 -0.005606 30O 2dx2y2 -0.002058 -0.000641 -0.000990 0.000349 -0.000422 -0.001476 30O 2dxy 0.001529 0.000688 -0.002559 -0.001123 0.006011 0.001641 30O 1f0 0.000089 0.000095 0.000172 0.000048 0.000297 0.000434 30O 1f+1 -0.000058 -0.000146 0.000225 0.000242 -0.000117 -0.000109 30O 1f-1 -0.000151 -0.000134 0.000223 -0.000027 -0.000126 0.000064 30O 1f+2 0.000103 -0.000339 0.000277 -0.000048 -0.000141 0.000020 30O 1f-2 -0.000026 -0.000040 -0.000226 0.000022 -0.000325 -0.000522 30O 1f+3 0.000168 -0.000165 0.000059 -0.000179 0.000065 0.000066 30O 1f-3 -0.000014 -0.000289 0.000393 0.000177 -0.000272 -0.000032 31O 1s 0.000465 -0.009385 0.004141 -0.000517 -0.000621 0.000199 31O 2s 0.001460 -0.023243 0.010179 -0.001319 -0.001666 0.000617 31O 3s -0.005608 0.045164 -0.019038 0.003890 0.003966 -0.004125 31O 4s 0.007020 0.035403 -0.016310 -0.009412 -0.003979 0.027780 31O 5s -0.160574 0.127411 0.009624 -0.041543 0.218619 -0.188925 31O 1pz -0.000486 -0.024287 -0.017164 0.034843 0.003793 -0.009254 31O 1px -0.021794 -0.044355 -0.010804 0.014583 -0.000963 0.027941 31O 1py -0.023093 0.040546 -0.005486 0.001766 0.043054 -0.024689 31O 2pz -0.015629 -0.024257 -0.009138 0.021297 0.007112 0.000666 31O 2px -0.001715 -0.036078 -0.014203 0.018916 -0.015083 0.015583 31O 2py -0.002049 0.042902 -0.007388 0.003653 0.028407 -0.033690 31O 3pz 0.054456 -0.050553 -0.018412 0.062149 0.041669 -0.084912 31O 3px 0.006943 -0.036428 -0.004247 -0.007454 -0.047442 0.120977 31O 3py -0.084518 0.057905 -0.034723 0.019171 0.012909 0.076151 31O 1dz2 -0.000380 0.000056 -0.000369 0.000435 0.000166 -0.000350 31O 1dxz 0.000288 -0.000575 0.000028 0.000193 -0.000010 -0.000355 31O 1dyz 0.000994 0.000206 -0.000869 0.000187 -0.000316 0.000016 31O 1dx2y2 0.000817 0.000561 -0.000254 -0.000320 -0.000361 0.000880 31O 1dxy 0.000183 0.000796 -0.000705 0.000279 -0.000268 0.000560 31O 2dz2 0.003742 -0.000021 -0.001142 -0.000784 -0.005615 0.003549 31O 2dxz 0.001650 -0.000398 -0.000827 0.001175 -0.005178 0.002612 31O 2dyz 0.004389 -0.003229 -0.004296 0.002224 -0.003898 0.005625 31O 2dx2y2 0.001979 -0.000703 -0.001002 -0.000254 -0.000308 0.001564 31O 2dxy -0.001679 0.000777 -0.002504 0.001104 0.005720 -0.001899 31O 1f0 0.000095 -0.000102 -0.000168 0.000057 -0.000274 0.000443 31O 1f+1 -0.000050 0.000146 -0.000207 0.000241 0.000112 -0.000125 31O 1f-1 -0.000143 0.000140 -0.000223 -0.000017 0.000118 0.000054 31O 1f+2 0.000108 0.000335 -0.000284 -0.000029 0.000150 0.000016 31O 1f-2 -0.000039 0.000045 0.000222 0.000011 0.000304 -0.000530 31O 1f+3 0.000172 0.000160 -0.000069 -0.000168 -0.000055 0.000071 31O 1f-3 -0.000013 0.000288 -0.000382 0.000188 0.000274 -0.000048 32O 1s 0.006589 0.003710 -0.002222 -0.001022 0.001684 -0.003135 32O 2s 0.016971 0.009627 -0.005476 -0.002352 0.004073 -0.008617 32O 3s -0.042786 -0.025619 0.009665 0.001614 -0.006223 0.030108 32O 4s 0.023195 0.016231 0.011325 0.017027 -0.013749 -0.051237 32O 5s -0.332830 -0.172889 0.053911 -0.009602 -0.025876 0.288759 32O 1pz -0.083999 -0.009817 0.064377 0.036824 0.015847 0.026627 32O 1px 0.001755 0.023188 0.026579 0.025871 0.004976 -0.049655 32O 1py -0.037816 -0.025958 0.000685 -0.005310 -0.002387 0.044094 32O 2pz -0.046338 -0.005124 0.040881 0.022682 0.008898 0.014528 32O 2px -0.000012 0.010554 0.010246 0.013123 0.007091 -0.028643 32O 2py -0.022739 -0.013789 0.003710 -0.001889 -0.002274 0.026236 32O 3pz -0.196888 -0.016705 0.141947 0.070806 0.046536 0.063332 32O 3px -0.018793 0.055765 0.085835 0.067334 -0.004458 -0.101369 32O 3py -0.088762 -0.050384 0.002918 -0.010973 -0.009511 0.090559 32O 1dz2 0.000641 0.000221 -0.000270 0.000018 -0.000155 -0.000608 32O 1dxz -0.000278 0.000021 0.000381 0.000232 0.000128 -0.000383 32O 1dyz 0.000304 -0.000162 -0.000402 -0.000089 -0.000227 0.000163 32O 1dx2y2 0.000606 0.000264 -0.000234 -0.000118 0.000130 -0.000146 32O 1dxy 0.000472 0.000161 -0.000227 -0.000033 -0.000034 -0.000357 32O 2dz2 0.008437 0.003173 -0.003177 -0.001305 -0.000778 -0.006275 32O 2dxz -0.002262 0.001242 0.003548 0.002900 0.000886 -0.002472 32O 2dyz 0.006426 0.000296 -0.005660 -0.004092 -0.001226 -0.000111 32O 2dx2y2 -0.000020 0.002036 0.001206 0.000649 0.000489 -0.000333 32O 2dxy 0.001359 -0.001103 -0.002331 -0.001934 -0.000751 0.000275 32O 1f0 -0.000196 0.000330 0.000494 0.000286 0.000049 -0.000248 32O 1f+1 -0.000461 -0.000148 0.000306 0.000203 0.000099 0.000069 32O 1f-1 0.000734 0.000430 -0.000153 -0.000086 -0.000157 -0.000588 32O 1f+2 -0.000365 -0.000167 0.000214 0.000154 0.000076 0.000117 32O 1f-2 -0.000299 0.000231 0.000507 0.000413 -0.000011 -0.000323 32O 1f+3 0.000307 -0.000119 -0.000214 -0.000121 -0.000025 -0.000117 32O 1f-3 0.000194 -0.000069 -0.000155 -0.000089 -0.000047 -0.000111 33O 1s 0.002212 -0.010572 0.002728 -0.000433 -0.003977 -0.005472 33O 2s 0.005672 -0.026241 0.006373 -0.001228 -0.009921 -0.013691 33O 3s -0.013389 0.050987 -0.006921 0.004138 0.020412 0.027852 33O 4s 0.000900 0.037846 -0.040836 -0.011622 0.005209 0.015300 33O 5s -0.053010 0.258124 0.164030 0.213234 0.104145 0.080577 33O 1pz 0.003012 -0.048457 -0.012544 -0.030349 0.016186 -0.029714 33O 1px -0.012044 -0.026943 -0.009203 -0.016756 -0.004285 0.006631 33O 1py 0.004498 -0.030257 0.007190 -0.011728 -0.025337 0.057187 33O 2pz -0.008520 -0.045384 -0.006604 -0.021725 0.008214 -0.017288 33O 2px -0.003497 -0.028596 -0.012609 -0.020617 -0.000910 0.001303 33O 2py -0.001670 -0.027579 0.006593 -0.012332 -0.020213 0.048399 33O 3pz 0.096269 -0.033381 0.018108 0.013201 0.038904 -0.113202 33O 3px -0.009596 -0.039945 -0.049067 -0.080775 -0.020517 0.017067 33O 3py 0.070305 -0.036397 -0.001194 -0.004847 -0.035420 0.024283 33O 1dz2 -0.000912 -0.000322 0.000447 0.000553 -0.000342 0.000125 33O 1dxz 0.000479 -0.000392 0.000490 0.000390 -0.000164 -0.000051 33O 1dyz -0.000538 -0.000331 0.001210 0.000739 -0.000699 -0.000068 33O 1dx2y2 0.000474 0.000191 -0.000397 -0.000335 0.000279 -0.000378 33O 1dxy 0.000491 -0.000178 -0.000100 -0.000180 -0.000147 -0.000429 33O 2dz2 -0.000895 0.003423 0.003810 0.004636 -0.003930 0.002709 33O 2dxz -0.001149 -0.004273 0.000174 -0.004449 -0.002358 0.001468 33O 2dyz -0.003035 0.002651 0.004628 0.004559 0.001228 -0.004135 33O 2dx2y2 0.000419 0.002389 0.000760 0.003586 -0.000854 -0.000119 33O 2dxy -0.000951 -0.000134 0.002022 0.001481 -0.001509 0.003105 33O 1f0 -0.000052 -0.000347 0.000311 0.000042 -0.000154 0.000072 33O 1f+1 0.000034 0.000079 -0.000327 -0.000222 0.000176 -0.000149 33O 1f-1 -0.000042 -0.000199 0.000365 0.000265 -0.000060 -0.000280 33O 1f+2 0.000093 0.000410 -0.000108 0.000271 0.000217 -0.000137 33O 1f-2 0.000077 0.000143 -0.000382 -0.000165 0.000001 0.000392 33O 1f+3 0.000098 0.000294 -0.000144 0.000182 0.000156 -0.000183 33O 1f-3 0.000085 0.000195 0.000013 0.000037 -0.000032 0.000247 34O 1s -0.001193 -0.010443 -0.001185 -0.002051 -0.002966 0.009804 34O 2s -0.003482 -0.026026 -0.002933 -0.005283 -0.006830 0.024464 34O 3s 0.013552 0.051881 0.004527 0.013312 0.006303 -0.048970 34O 4s -0.030257 0.032877 0.012283 -0.012966 0.052605 -0.025753 34O 5s 0.184598 0.292695 0.035426 0.127195 -0.233417 -0.230937 34O 1pz 0.012312 -0.035736 -0.007369 0.027339 -0.012842 0.005623 34O 1px -0.037059 -0.010104 0.021832 -0.015186 0.027998 -0.002988 34O 1py -0.006284 0.053041 -0.026612 0.021098 0.009911 0.001567 34O 2pz 0.004893 -0.032047 -0.003146 0.020552 -0.008809 0.010640 34O 2px -0.015459 -0.003902 0.025221 -0.014870 0.008254 -0.005411 34O 2py -0.007220 0.047809 -0.023341 0.019749 0.010233 0.000213 34O 3pz -0.019627 -0.063121 -0.004057 0.034788 0.013847 0.010579 34O 3px -0.036823 0.019195 0.020553 0.020924 -0.038611 -0.033554 34O 3py 0.042075 0.079098 -0.078597 0.040364 0.022845 -0.041927 34O 1dz2 -0.000243 0.000033 0.000032 0.000428 -0.000065 -0.000445 34O 1dxz 0.000780 0.000202 -0.000056 0.000292 -0.001028 -0.000224 34O 1dyz 0.000078 0.000258 -0.000592 0.000212 0.000332 -0.000206 34O 1dx2y2 -0.000386 0.000262 -0.000078 -0.000512 0.001013 0.000466 34O 1dxy -0.000998 -0.000212 0.000868 -0.000195 0.000411 0.000445 34O 2dz2 -0.003517 -0.004607 0.000144 0.000033 0.005280 0.002260 34O 2dxz -0.001244 -0.001336 0.000840 -0.001507 0.000445 0.001262 34O 2dyz 0.001271 -0.001435 -0.004775 0.002610 -0.001559 0.007132 34O 2dx2y2 0.002730 0.004257 -0.000576 0.002060 -0.003256 -0.001854 34O 2dxy -0.003307 -0.003946 0.001610 -0.000987 0.003872 0.000818 34O 1f0 -0.000090 0.000248 -0.000067 0.000087 0.000149 -0.000175 34O 1f+1 -0.000105 -0.000195 -0.000208 0.000209 0.000196 0.000220 34O 1f-1 0.000137 0.000019 0.000017 -0.000060 -0.000255 0.000051 34O 1f+2 0.000112 -0.000148 -0.000065 -0.000069 -0.000259 0.000036 34O 1f-2 0.000078 0.000153 -0.000227 0.000032 -0.000009 0.000138 34O 1f+3 0.000116 -0.000505 -0.000043 0.000115 -0.000245 0.000442 34O 1f-3 0.000122 -0.000154 -0.000216 0.000215 -0.000341 -0.000011 35O 1s 0.002356 -0.009055 -0.003285 -0.005132 -0.001211 0.003298 35O 2s 0.005590 -0.022385 -0.008250 -0.012519 -0.003023 0.008260 35O 3s -0.007867 0.042234 0.016944 0.021045 0.006305 -0.015875 35O 4s -0.019949 0.044260 0.005070 0.035757 0.000054 -0.017346 35O 5s -0.035083 0.119740 0.129574 0.012922 0.133912 -0.090894 35O 1pz 0.008604 -0.058702 0.018751 -0.001500 -0.017155 -0.017958 35O 1px -0.010056 0.015475 0.019755 0.029711 -0.014560 -0.007854 35O 1py 0.006746 -0.031598 0.012885 0.003580 -0.021489 0.026684 35O 2pz 0.005231 -0.050090 0.019188 0.000077 -0.017113 -0.011249 35O 2px 0.005366 0.012493 0.017528 0.021311 -0.012797 -0.020374 35O 2py 0.007021 -0.028126 0.011668 0.000809 -0.017672 0.017273 35O 3pz -0.003466 -0.108624 0.016419 -0.010203 -0.026111 -0.051583 35O 3px -0.063202 -0.005264 0.049919 0.023658 0.060417 0.014525 35O 3py -0.006174 -0.064000 0.036722 0.016350 -0.025061 0.073365 35O 1dz2 -0.000470 -0.000551 0.000470 -0.000050 0.000042 -0.000154 35O 1dxz 0.000149 0.000124 -0.000276 -0.000319 0.000461 0.000646 35O 1dyz 0.000251 -0.000320 0.000207 -0.000124 0.000057 0.000252 35O 1dx2y2 0.000564 0.000608 -0.000247 0.000107 -0.000667 -0.000172 35O 1dxy 0.000768 0.000305 -0.000630 -0.000334 0.000422 -0.000626 35O 2dz2 -0.001922 -0.000973 0.002449 0.002754 -0.000455 -0.001812 35O 2dxz 0.000296 0.000093 -0.002503 -0.003198 0.002742 0.001037 35O 2dyz 0.000086 0.002767 0.004451 0.005529 -0.000995 -0.001564 35O 2dx2y2 0.002801 0.002435 -0.001500 -0.001339 0.003925 -0.002382 35O 2dxy 0.002505 0.002135 -0.000785 -0.000454 0.004674 -0.002662 35O 1f0 -0.000199 0.000152 0.000040 0.000107 -0.000021 -0.000349 35O 1f+1 -0.000100 -0.000369 0.000046 -0.000227 0.000059 -0.000155 35O 1f-1 0.000045 -0.000139 0.000031 -0.000141 -0.000121 -0.000061 35O 1f+2 0.000096 -0.000085 -0.000296 -0.000274 0.000117 -0.000072 35O 1f-2 0.000178 -0.000292 0.000132 -0.000126 -0.000049 0.000121 35O 1f+3 0.000051 -0.000366 0.000051 -0.000212 0.000005 -0.000066 35O 1f-3 -0.000181 -0.000081 -0.000011 -0.000139 -0.000175 0.000339 138 139 140 141 142 143 0.12537 0.13012 0.13454 0.13535 0.14109 0.14825 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s 0.000566 -0.000294 0.001921 -0.002287 -0.007207 0.000639 0Rh 2s -0.002005 0.001134 -0.006712 0.008322 0.025142 -0.002135 0Rh 3s 0.002049 -0.001008 0.007005 -0.008131 -0.026309 0.002389 0Rh 4s 0.008693 -0.004964 0.029065 -0.036178 -0.108964 0.009191 0Rh 5s -0.005853 0.004115 -0.018668 0.025679 0.070718 -0.004835 0Rh 6s -0.019131 0.008050 -0.067837 0.075786 0.249356 -0.025823 0Rh 7s 0.052236 -0.022491 0.007607 0.174502 -1.075553 -0.097650 0Rh 8s -0.065839 0.148378 0.460983 -1.602133 1.467607 0.973337 0Rh 1pz -0.001860 -0.001037 -0.000580 -0.000361 0.002590 0.002672 0Rh 1px 0.001623 -0.000056 0.004045 0.003924 -0.009131 -0.000031 0Rh 1py -0.000434 0.001028 -0.000348 0.003325 -0.002654 0.003149 0Rh 2pz 0.006336 0.003549 0.002010 0.001197 -0.008764 -0.009195 0Rh 2px -0.005562 0.000180 -0.013913 -0.013382 0.030923 -0.000007 0Rh 2py 0.001503 -0.003569 0.001228 -0.011363 0.009004 -0.010816 0Rh 3pz -0.004949 -0.003031 -0.002241 -0.000359 0.005701 0.008830 0Rh 3px 0.005002 0.000087 0.013315 0.010715 -0.020631 0.002165 0Rh 3py -0.001622 0.004089 -0.001701 0.009493 -0.006279 0.009967 0Rh 4pz -0.010206 -0.004720 -0.000673 -0.004165 0.018155 0.008618 0Rh 4px 0.006517 -0.001142 0.013406 0.020506 -0.062258 -0.008430 0Rh 4py -0.000912 0.000652 0.000690 0.015927 -0.017178 0.011864 0Rh 5pz 0.002347 -0.001512 -0.004764 0.005344 -0.008876 0.008900 0Rh 5px 0.002331 0.001860 0.011651 -0.002316 0.029113 0.019148 0Rh 5py -0.000874 0.009516 -0.005855 0.002306 0.006460 0.009409 0Rh 6pz -0.004149 0.067092 0.020246 -0.017450 -0.061736 -0.016019 0Rh 6px -0.035186 -0.060220 -0.108975 0.002435 0.111389 -0.288874 0Rh 6py 0.006590 -0.008638 0.035509 -0.091944 0.016824 -0.005162 0Rh 1dz2 -0.000847 -0.001931 -0.002584 -0.002902 0.012787 0.001276 0Rh 1dxz 0.000298 0.004053 -0.005554 -0.001921 0.018332 0.002275 0Rh 1dyz 0.001766 -0.007469 -0.002265 0.000481 0.003448 -0.003676 0Rh 1dx2y2 0.004302 0.000047 0.004726 0.008829 -0.027301 -0.008129 0Rh 1dxy 0.003656 0.001023 0.003744 0.001807 -0.007346 0.007446 0Rh 2dz2 0.000100 0.000060 0.000057 0.000123 -0.000550 -0.000015 0Rh 2dxz -0.000031 -0.000404 0.000308 0.000062 -0.000773 -0.000023 0Rh 2dyz 0.000236 0.000478 0.000024 -0.000060 -0.000200 0.000129 0Rh 2dx2y2 -0.000114 -0.000184 -0.000235 -0.000522 0.001051 0.000288 0Rh 2dxy -0.000164 -0.000085 -0.000008 -0.000094 0.000382 -0.000281 0Rh 3dz2 0.001044 0.003065 0.004210 0.004511 -0.019778 -0.002141 0Rh 3dxz -0.000422 -0.005406 0.008350 0.003044 -0.028504 -0.003853 0Rh 3dyz -0.003982 0.010963 0.003815 -0.000583 -0.005123 0.005885 0Rh 3dx2y2 -0.006947 0.000636 -0.007158 -0.013146 0.042737 0.012953 0Rh 3dxy -0.005651 -0.001466 -0.006447 -0.002759 0.011090 -0.011884 0Rh 4dz2 0.002487 0.003502 0.004217 0.005810 -0.025167 -0.002100 0Rh 4dxz -0.000804 -0.010700 0.011567 0.003718 -0.035854 -0.003509 0Rh 4dyz 0.000307 0.016289 0.003486 -0.001373 -0.007426 0.006607 0Rh 4dx2y2 -0.007434 -0.002324 -0.009405 -0.019363 0.052489 0.015078 0Rh 4dxy -0.007293 -0.002600 -0.005246 -0.003583 0.015348 -0.013908 0Rh 5dz2 -0.003165 0.003603 0.010049 0.002754 -0.010069 -0.002283 0Rh 5dxz 0.001439 0.007047 0.007622 0.000110 -0.014618 -0.009961 0Rh 5dyz -0.019497 0.006861 0.007438 0.001797 -0.000220 0.012510 0Rh 5dx2y2 -0.011499 0.011379 -0.011724 0.000799 0.025558 0.018803 0Rh 5dxy -0.004039 0.002328 -0.015748 -0.004858 0.000098 -0.015630 0Rh 1f0 0.000007 0.001472 0.000247 0.002008 0.000841 0.001462 0Rh 1f+1 0.000716 0.000059 -0.000234 0.000802 -0.000842 0.000834 0Rh 1f-1 0.001100 0.000016 0.000079 0.002222 -0.000295 0.004251 0Rh 1f+2 0.000617 0.001152 0.000515 -0.001010 -0.001070 -0.001298 0Rh 1f-2 -0.001239 0.000720 0.000310 0.001361 -0.000421 0.002588 0Rh 1f+3 -0.001274 -0.001461 -0.000204 -0.001471 -0.001203 -0.000625 0Rh 1f-3 0.000426 0.001536 -0.000629 0.000410 -0.000895 0.001878 1Rh 1s 0.000595 0.000211 0.001119 0.002700 -0.007214 -0.000679 1Rh 2s -0.002102 -0.000843 -0.003812 -0.009757 0.025170 0.002282 1Rh 3s 0.002155 0.000706 0.004139 0.009645 -0.026328 -0.002535 1Rh 4s 0.009109 0.003701 0.016467 0.042387 -0.109088 -0.009830 1Rh 5s -0.006085 -0.003282 -0.009880 -0.029595 0.070834 0.005294 1Rh 6s -0.020249 -0.005205 -0.040886 -0.090539 0.249516 0.027127 1Rh 7s 0.049162 0.017608 0.066402 -0.165022 -1.075966 0.091013 1Rh 8s -0.032391 -0.148129 -0.098168 1.652203 1.472722 -0.961627 1Rh 1pz 0.001864 -0.001198 0.000604 -0.000253 -0.002650 0.002680 1Rh 1px -0.001601 0.000198 -0.005103 0.002618 0.009094 0.000060 1Rh 1py 0.000532 0.000989 -0.000688 0.003291 0.002642 0.003172 1Rh 2pz -0.006353 0.004098 -0.002078 0.000822 0.008967 -0.009222 1Rh 2px 0.005492 -0.000691 0.017513 -0.008894 -0.030794 -0.000318 1Rh 2py -0.001839 -0.003435 0.002314 -0.011258 -0.008961 -0.010894 1Rh 3pz 0.004985 -0.003521 0.002022 0.000094 -0.005874 0.008860 1Rh 3px -0.004984 0.000879 -0.016054 0.006526 0.020501 0.002410 1Rh 3py 0.001935 0.003934 -0.001250 0.009623 0.006241 0.010060 1Rh 4pz 0.010143 -0.005380 0.001837 -0.004164 -0.018428 0.008629 1Rh 4px -0.006267 -0.000152 -0.019448 0.015790 0.062169 -0.007938 1Rh 4py 0.001247 0.000606 -0.005697 0.015002 0.017125 0.011872 1Rh 5pz -0.002148 -0.001778 0.002432 0.006431 0.008811 0.008985 1Rh 5px -0.002632 0.002296 -0.010040 -0.005379 -0.029315 0.019090 1Rh 5py 0.001242 0.009300 0.005163 0.004050 -0.006469 0.009659 1Rh 6pz 0.001543 0.069996 -0.007288 -0.021926 0.061325 -0.015397 1Rh 6px 0.038662 -0.065430 0.096217 0.031020 -0.108920 -0.290381 1Rh 6py -0.006117 -0.007869 -0.007504 -0.098798 -0.016011 -0.006255 1Rh 1dz2 -0.000867 0.002159 -0.003363 0.002115 0.012740 -0.001345 1Rh 1dxz 0.000278 -0.003919 -0.006129 0.000167 0.018318 -0.002043 1Rh 1dyz 0.001703 0.007477 -0.001827 -0.001166 0.003420 0.003393 1Rh 1dx2y2 0.004165 -0.000493 0.007271 -0.007232 -0.027262 0.007933 1Rh 1dxy 0.003478 -0.001389 0.004213 -0.000707 -0.007343 -0.007591 1Rh 2dz2 0.000104 -0.000072 0.000092 -0.000103 -0.000544 0.000017 1Rh 2dxz -0.000015 0.000391 0.000334 0.000026 -0.000772 0.000017 1Rh 2dyz 0.000239 -0.000489 -0.000007 0.000058 -0.000198 -0.000103 1Rh 2dx2y2 -0.000099 0.000197 -0.000373 0.000434 0.001045 -0.000281 1Rh 2dxy -0.000152 0.000098 -0.000037 0.000088 0.000381 0.000302 1Rh 3dz2 0.001062 -0.003411 0.005414 -0.003240 -0.019724 0.002254 1Rh 3dxz -0.000449 0.005229 0.009232 -0.000370 -0.028487 0.003474 1Rh 3dyz -0.003886 -0.010932 0.003187 0.001775 -0.005080 -0.005498 1Rh 3dx2y2 -0.006768 0.000079 -0.011000 0.010759 0.042695 -0.012643 1Rh 3dxy -0.005389 0.002046 -0.007144 0.000876 0.011088 0.012050 1Rh 4dz2 0.002566 -0.003964 0.005815 -0.004476 -0.025035 0.002188 1Rh 4dxz -0.000588 0.010351 0.012784 -0.000164 -0.035839 0.003113 1Rh 4dyz 0.000433 -0.016430 0.002497 0.002327 -0.007365 -0.005977 1Rh 4dx2y2 -0.007065 0.003112 -0.014859 0.016057 0.052390 -0.014727 1Rh 4dxy -0.006896 0.003283 -0.006235 0.002017 0.015339 0.014343 1Rh 5dz2 -0.003261 -0.003974 0.010545 -0.000065 -0.010125 0.003062 1Rh 5dxz 0.000717 -0.007018 0.006995 0.002422 -0.014555 0.009419 1Rh 5dyz -0.019497 -0.006396 0.007556 0.000755 -0.000216 -0.011245 1Rh 5dx2y2 -0.011824 -0.010253 -0.011735 -0.003675 0.025538 -0.018325 1Rh 5dxy -0.003960 -0.001728 -0.016842 0.000183 0.000043 0.015600 1Rh 1f0 0.000086 0.001516 -0.000809 0.001842 -0.000846 0.001427 1Rh 1f+1 -0.000692 0.000047 -0.000033 0.000836 0.000813 0.000884 1Rh 1f-1 -0.001054 0.000100 -0.000830 0.002089 0.000254 0.004221 1Rh 1f+2 -0.000607 0.001156 -0.000087 -0.001081 0.001130 -0.001344 1Rh 1f-2 0.001335 0.000687 -0.000716 0.001176 0.000438 0.002677 1Rh 1f+3 0.001208 -0.001493 0.000608 -0.001368 0.001180 -0.000641 1Rh 1f-3 -0.000350 0.001556 0.000487 0.000589 0.000897 0.001840 2C 1s 0.000424 -0.003059 0.001621 -0.004855 -0.008907 -0.003740 2C 2s 0.000701 -0.007046 0.003683 -0.010702 -0.019873 -0.008895 2C 3s 0.005535 0.023214 -0.012000 0.024960 0.026580 0.038947 2C 4s -0.050302 -0.052454 0.011260 -0.014678 0.075103 -0.154352 2C 5s -0.000031 0.200080 0.013873 0.786879 0.757097 1.590182 2C 1pz -0.017036 0.014528 -0.070576 0.039319 0.047905 -0.007331 2C 1px -0.099646 -0.072958 -0.005651 0.006891 -0.005341 -0.007109 2C 1py 0.088765 0.001486 0.130491 -0.096056 0.031468 -0.018204 2C 2pz -0.029000 -0.018054 -0.019427 0.021553 0.079151 0.002630 2C 2px -0.036281 -0.031663 -0.000071 0.002158 0.008014 -0.001919 2C 2py 0.018915 0.000688 0.037497 -0.027156 0.049937 0.001926 2C 3pz -0.042147 0.237336 -0.533325 0.633302 0.715541 0.586927 2C 3px -0.617081 -0.361004 -0.044094 -0.054746 0.092307 0.284211 2C 3py 0.444188 -0.017885 0.934175 -0.418706 0.503541 0.355475 2C 1dz2 -0.000971 -0.000873 -0.000448 -0.000747 -0.005898 -0.005286 2C 1dxz -0.008782 -0.004450 -0.004730 -0.000240 -0.004963 -0.001247 2C 1dyz 0.002126 -0.000556 -0.000346 -0.001986 -0.009561 -0.009799 2C 1dx2y2 0.002934 0.004379 -0.004459 0.006350 0.004127 0.001172 2C 1dxy 0.001591 -0.003455 0.009677 -0.007945 -0.002763 -0.002415 2C 2dz2 -0.016268 -0.000312 -0.014835 0.022856 0.014510 0.015938 2C 2dxz -0.067642 -0.030630 -0.026031 0.028101 0.003660 0.007975 2C 2dyz 0.008686 0.026913 -0.019430 0.027147 0.029060 0.042400 2C 2dx2y2 0.013597 0.019287 -0.020344 0.003771 -0.003921 -0.009859 2C 2dxy 0.034937 0.000771 0.054559 -0.038419 0.006120 0.005099 2C 1f0 -0.001825 0.001279 -0.005242 0.003136 0.000484 -0.000680 2C 1f+1 0.004084 0.001651 0.003030 -0.002264 0.001152 0.001519 2C 1f-1 -0.001854 -0.001203 0.001092 0.000900 0.003639 0.001229 2C 1f+2 -0.002968 -0.001901 0.000148 0.000860 -0.001519 0.000181 2C 1f-2 -0.004155 -0.002629 -0.001123 -0.000022 0.000351 -0.002908 2C 1f+3 -0.004526 0.000684 -0.005676 0.005531 0.001433 0.004535 2C 1f-3 0.004520 0.003370 -0.000028 -0.000354 0.000798 0.002656 3C 1s 0.000724 0.005254 0.001331 -0.000190 -0.009504 0.006703 3C 2s 0.001778 0.011756 0.002892 -0.000408 -0.021181 0.015162 3C 3s -0.007778 -0.031996 -0.003943 -0.001690 0.026057 -0.036340 3C 4s 0.027308 0.033318 -0.027528 0.016549 0.082397 0.094857 3C 5s 0.063097 -0.836185 0.155116 -0.289418 1.220267 -2.340045 3C 1pz -0.105939 0.113611 0.083447 0.044613 0.029529 -0.071010 3C 1px 0.009967 0.082970 0.069273 -0.043696 0.022055 -0.010986 3C 1py -0.039862 0.057622 0.059990 -0.010365 -0.043624 -0.001241 3C 2pz -0.019958 0.025180 0.013360 0.022966 0.052535 -0.039919 3C 2px 0.006209 0.020826 0.022669 -0.020579 0.038903 -0.017575 3C 2py -0.032997 0.024127 0.021429 -0.001655 -0.093471 0.041424 3C 3pz -0.558148 0.581745 0.689226 0.252471 0.574195 -1.243264 3C 3px 0.069006 0.450498 0.454825 -0.456730 0.397457 -0.397169 3C 3py -0.209010 0.724091 0.455194 -0.056689 -0.921588 1.118775 3C 1dz2 0.000802 -0.005019 -0.005144 0.000839 0.001923 -0.001774 3C 1dxz 0.000496 0.008439 0.007590 -0.007082 -0.003367 0.006951 3C 1dyz 0.003195 -0.005667 -0.002159 -0.003538 0.010814 -0.009564 3C 1dx2y2 -0.004373 0.004163 0.006060 0.000625 0.008349 -0.014196 3C 1dxy -0.003409 0.001652 0.001981 0.002086 0.006744 -0.012110 3C 2dz2 0.015553 -0.023327 -0.022653 0.003277 -0.008580 0.023339 3C 2dxz 0.002631 0.029234 0.028851 -0.021561 0.013922 -0.016939 3C 2dyz 0.038708 0.004945 -0.000698 -0.020755 -0.033332 0.043118 3C 2dx2y2 -0.048954 0.061000 0.034276 0.010962 -0.021329 0.014975 3C 2dxy -0.033040 0.042893 0.023425 0.016299 -0.019562 0.011065 3C 1f0 -0.006163 0.008207 0.004736 0.001685 -0.003322 0.001633 3C 1f+1 -0.003274 0.000244 -0.000511 0.001862 -0.000236 0.000175 3C 1f-1 0.003549 -0.002110 -0.002053 -0.000737 -0.001145 0.002536 3C 1f+2 -0.000879 -0.002793 -0.000479 -0.000406 -0.001689 -0.000831 3C 1f-2 0.000969 -0.000244 0.000689 -0.000948 -0.001888 0.000055 3C 1f+3 -0.002942 0.003858 0.003568 -0.000568 0.003159 -0.004282 3C 1f-3 0.002543 0.002348 0.001732 -0.002102 -0.001480 0.002196 4C 1s 0.002777 0.003602 0.000644 0.001423 0.012965 0.005804 4C 2s 0.006141 0.007993 0.002082 0.002883 0.028728 0.012314 4C 3s -0.014613 -0.015149 -0.013076 0.000377 -0.013930 -0.016984 4C 4s 0.024680 -0.034308 0.062763 -0.062442 -0.281462 -0.086222 4C 5s 0.063011 0.045222 -0.498328 -0.169475 -1.833457 -0.281904 4C 1pz 0.015148 0.007857 0.023090 0.013861 0.060928 0.045330 4C 1px -0.011274 -0.014682 0.030033 -0.029509 0.005449 0.008690 4C 1py -0.015137 0.016063 -0.060646 0.042976 0.034325 0.043788 4C 2pz -0.025561 0.007867 0.008676 0.078580 0.120639 0.133323 4C 2px -0.014124 -0.000432 -0.024359 -0.030810 -0.000668 0.064004 4C 2py -0.002852 0.058416 -0.081982 0.081643 0.070947 0.124216 4C 3pz 0.200243 -0.001564 0.240974 0.147241 0.123695 0.648226 4C 3px 0.146146 0.061571 -0.072377 0.035263 -0.092350 0.069368 4C 3py -0.144718 -0.097083 -0.276795 0.316393 0.004213 0.425273 4C 1dz2 0.000266 -0.002037 0.004109 -0.004160 0.002560 0.000275 4C 1dxz 0.002750 0.002417 -0.002646 0.003262 0.001099 0.001939 4C 1dyz -0.000088 -0.000403 0.000248 -0.001348 0.006123 -0.005271 4C 1dx2y2 0.002061 0.000923 0.003401 -0.001799 0.000537 -0.002404 4C 1dxy 0.004075 0.001788 0.001923 -0.000721 0.002687 -0.003258 4C 2dz2 0.008196 -0.004901 0.021368 -0.009799 -0.002112 -0.026286 4C 2dxz 0.024014 0.021550 -0.008025 -0.013599 0.011488 0.002852 4C 2dyz 0.014505 0.003638 0.005897 -0.002362 -0.018886 -0.008979 4C 2dx2y2 0.005958 -0.005239 0.000687 -0.004986 -0.021185 0.004947 4C 2dxy 0.011471 0.015424 -0.025558 0.000827 -0.018509 0.013083 4C 1f0 -0.000566 0.001401 -0.003142 0.003223 0.001547 0.001115 4C 1f+1 -0.000371 0.000195 0.000191 0.000618 0.002241 0.002385 4C 1f-1 -0.000886 -0.000856 0.001033 0.000687 0.003101 0.001032 4C 1f+2 -0.002553 -0.001587 -0.000831 -0.000050 -0.002877 -0.001432 4C 1f-2 -0.002513 -0.001302 -0.002184 0.000351 0.000442 0.000847 4C 1f+3 0.000336 0.000295 0.000642 0.000143 -0.000000 0.000738 4C 1f-3 -0.000889 -0.001180 0.001321 0.000329 0.001655 -0.001024 5C 1s -0.001812 -0.000879 0.000774 0.003738 0.014820 -0.017217 5C 2s -0.003849 -0.001420 0.002263 0.008507 0.032773 -0.038352 5C 3s 0.004906 -0.005439 -0.013776 -0.019171 -0.012920 0.066472 5C 4s -0.006717 0.085440 0.068873 -0.017178 -0.338240 0.146924 5C 5s -0.117946 -0.065722 -0.454834 -0.056617 -2.197454 1.762149 5C 1pz 0.008141 -0.057761 -0.059556 0.004377 0.034519 -0.007670 5C 1px 0.001780 -0.010863 0.001601 -0.028848 0.028740 -0.015373 5C 1py 0.014888 -0.006402 -0.029136 0.000594 -0.068542 0.105582 5C 2pz 0.004015 -0.086586 -0.086163 0.011236 0.070122 -0.066860 5C 2px -0.024055 -0.047069 0.019651 -0.009936 0.070883 -0.019218 5C 2py -0.023845 0.067504 0.000704 0.019017 -0.136074 0.243026 5C 3pz 0.218891 -0.350555 -0.194904 -0.208395 0.155015 -0.684765 5C 3px -0.061644 -0.198556 0.094589 0.096290 0.187597 -0.411923 5C 3py 0.148505 0.009331 -0.196298 0.099320 -0.325370 1.199879 5C 1dz2 0.003023 -0.005627 -0.003766 -0.003453 -0.001968 0.002005 5C 1dxz -0.000344 -0.001703 -0.002423 0.000588 0.000642 0.000216 5C 1dyz -0.000115 -0.003954 -0.002240 -0.000139 -0.006123 -0.000280 5C 1dx2y2 0.000327 -0.001378 -0.001518 0.003185 -0.002394 -0.000781 5C 1dxy 0.001223 0.001726 0.003033 -0.004352 -0.002343 0.000306 5C 2dz2 0.013542 0.002601 -0.001032 -0.005353 0.019428 0.008146 5C 2dxz -0.008883 -0.009643 0.001782 0.003733 0.009357 0.019270 5C 2dyz -0.001271 -0.011868 -0.004225 0.000594 0.038085 -0.001150 5C 2dx2y2 0.006201 -0.029681 -0.013739 0.009250 -0.002967 -0.010260 5C 2dxy 0.025872 -0.005412 -0.014151 -0.011371 -0.000154 -0.011546 5C 1f0 -0.000503 0.000390 0.001189 -0.000077 -0.001030 0.000605 5C 1f+1 0.001022 -0.000342 0.000039 -0.001542 0.001123 -0.001863 5C 1f-1 0.002206 -0.003232 -0.002048 -0.000550 -0.000195 0.001521 5C 1f+2 -0.001348 0.001843 0.000781 0.000483 -0.002671 0.003708 5C 1f-2 0.001598 0.000119 -0.001524 -0.000254 -0.004120 0.001020 5C 1f+3 0.000757 0.000967 0.001374 -0.002047 0.003997 -0.000566 5C 1f-3 0.000436 0.001872 0.001691 -0.001149 -0.002436 -0.000580 6C 1s -0.001783 0.000987 0.001753 -0.003262 0.014801 0.016440 6C 2s -0.003817 0.001638 0.004459 -0.007301 0.032726 0.036648 6C 3s 0.005341 0.005514 -0.018316 0.014398 -0.012965 -0.064984 6C 4s -0.010989 -0.087722 0.059156 0.034226 -0.337743 -0.133622 6C 5s -0.116449 0.067578 -0.434795 -0.074547 -2.190464 -1.650096 6C 1pz -0.010182 -0.059578 0.053538 0.022156 -0.034972 -0.005590 6C 1px -0.002963 -0.010925 0.007424 -0.028062 -0.028903 -0.013836 6C 1py -0.014743 -0.006567 0.026279 0.010263 0.068645 0.102131 6C 2pz -0.007524 -0.087987 0.075456 0.036327 -0.071328 -0.061892 6C 2px 0.022131 -0.048365 -0.015833 -0.017512 -0.071289 -0.016795 6C 2py 0.027737 0.067597 -0.006896 0.018770 0.136631 0.233783 6C 3pz -0.239783 -0.359308 0.247771 -0.138126 -0.155397 -0.623116 6C 3px 0.061224 -0.206590 -0.124046 0.053761 -0.186372 -0.375053 6C 3py -0.139870 0.011841 0.147526 0.163095 0.326014 1.101966 6C 1dz2 0.003331 0.005658 -0.004469 0.002166 -0.001911 -0.002047 6C 1dxz -0.000328 0.001766 -0.002032 -0.001238 0.000658 -0.000241 6C 1dyz 0.000055 0.003942 -0.002038 -0.000451 -0.006050 0.000313 6C 1dx2y2 0.000250 0.001437 -0.000424 -0.003556 -0.002407 0.000894 6C 1dxy 0.001333 -0.001913 0.001485 0.005029 -0.002318 -0.000298 6C 2dz2 0.013523 -0.003364 -0.002377 0.004259 0.019437 -0.008170 6C 2dxz -0.008833 0.010515 0.002726 -0.002760 0.009439 -0.017735 6C 2dyz -0.000911 0.012111 -0.003452 -0.001423 0.038111 -0.000008 6C 2dx2y2 0.006788 0.030480 -0.009325 -0.012579 -0.002981 0.007845 6C 2dxy 0.026919 0.004763 -0.016357 0.006047 -0.000223 0.009325 6C 1f0 0.000526 0.000395 -0.001071 -0.000438 0.001036 0.000388 6C 1f+1 -0.001092 -0.000339 0.000472 -0.001457 -0.001101 -0.001819 6C 1f-1 -0.002331 -0.003313 0.002044 0.000130 0.000193 0.001524 6C 1f+2 0.001384 0.001878 -0.000862 0.000211 0.002633 0.003479 6C 1f-2 -0.001591 0.000148 0.001501 0.000302 0.004125 0.000867 6C 1f+3 -0.000811 0.001040 -0.000628 -0.002341 -0.003997 -0.000389 6C 1f-3 -0.000433 0.001920 -0.001165 -0.001588 0.002447 -0.000684 7C 1s 0.002775 -0.003880 0.000930 -0.001271 0.012953 -0.004927 7C 2s 0.006147 -0.008626 0.002583 -0.002378 0.028694 -0.010389 7C 3s -0.014540 0.016386 -0.011473 -0.003550 -0.013895 0.015520 7C 4s 0.024380 0.034681 0.039045 0.076247 -0.281267 0.069833 7C 5s 0.049520 -0.019494 -0.528065 0.029903 -1.830495 0.148811 7C 1pz -0.014613 0.009259 -0.027441 0.005807 -0.061283 0.040707 7C 1px 0.011167 -0.015224 -0.020179 -0.037553 -0.005330 0.007612 7C 1py 0.016134 0.014623 0.045380 0.060010 -0.034722 0.041552 7C 2pz 0.026774 0.009075 -0.035457 0.071244 -0.122152 0.121665 7C 2px 0.013379 -0.002732 0.032241 -0.024872 0.000490 0.064260 7C 2py 0.006012 0.056315 0.053595 0.102997 -0.071817 0.119316 7C 3pz -0.198639 0.019569 -0.283403 0.078355 -0.127219 0.545052 7C 3px -0.145337 0.060216 0.051813 0.048219 0.094067 0.057411 7C 3py 0.139680 -0.095109 0.161267 0.388836 -0.009768 0.361532 7C 1dz2 0.000298 0.002061 0.002712 0.005188 0.002521 -0.000159 7C 1dxz 0.002722 -0.002559 -0.001497 -0.003833 0.001126 -0.001902 7C 1dyz 0.000030 0.000342 -0.000322 0.001264 0.006065 0.005362 7C 1dx2y2 0.002069 -0.001097 0.002591 0.002645 0.000484 0.002320 7C 1dxy 0.004198 -0.002097 0.001548 0.001219 0.002654 0.003241 7C 2dz2 0.007330 0.004617 0.017228 0.014784 -0.002144 0.024817 7C 2dxz 0.024019 -0.022088 -0.012430 0.011136 0.011543 -0.005235 7C 2dyz 0.014175 -0.004297 0.004453 0.003571 -0.018960 0.006839 7C 2dx2y2 0.006702 0.005051 -0.000349 0.005294 -0.021109 -0.003560 7C 2dxy 0.011555 -0.015682 -0.024787 -0.008311 -0.018349 -0.013921 7C 1f0 0.000599 0.001418 0.002063 0.004044 -0.001537 0.001048 7C 1f+1 0.000412 0.000168 -0.000400 0.000526 -0.002230 0.002272 7C 1f-1 0.000840 -0.000797 -0.001225 0.000390 -0.003107 0.000648 7C 1f+2 0.002499 -0.001690 0.000835 0.000210 0.002891 -0.001291 7C 1f-2 0.002478 -0.001432 0.001991 0.000947 -0.000455 0.000782 7C 1f+3 -0.000228 0.000237 -0.000621 -0.000002 0.000032 0.000685 7C 1f-3 0.000875 -0.001119 -0.001404 -0.000048 -0.001689 -0.001123 8C 1s 0.000415 -0.005393 0.001235 0.000476 -0.009566 -0.006547 8C 2s 0.001069 -0.012072 0.002692 0.001019 -0.021326 -0.014808 8C 3s -0.005501 0.032650 -0.004332 0.001057 0.026689 0.036116 8C 4s 0.023101 -0.032944 -0.020972 -0.024697 0.080688 -0.093445 8C 5s 0.122811 0.845923 0.057006 0.335775 1.228692 2.170762 8C 1pz 0.111041 0.114561 -0.089517 0.014982 -0.029157 -0.071528 8C 1px -0.010330 0.086396 -0.050085 -0.062083 -0.021956 -0.009825 8C 1py 0.040291 0.060143 -0.052322 -0.029307 0.043176 -0.002971 8C 2pz 0.021191 0.025136 -0.019081 0.016831 -0.052166 -0.036886 8C 2px -0.006442 0.021831 -0.015027 -0.026664 -0.038798 -0.014961 8C 2py 0.033061 0.024768 -0.019049 -0.009049 0.092745 0.035544 8C 3pz 0.584656 0.589793 -0.708904 0.017825 -0.570634 -1.201745 8C 3px -0.082204 0.470143 -0.267942 -0.568442 -0.398803 -0.365671 8C 3py 0.231839 0.746297 -0.402745 -0.190447 0.922742 1.036836 8C 1dz2 0.000983 0.005122 -0.004473 -0.002241 0.001963 0.001606 8C 1dxz 0.000440 -0.008934 0.004899 0.008995 -0.003364 -0.006600 8C 1dyz 0.003585 0.005620 -0.003042 0.002790 0.010878 0.008908 8C 1dx2y2 -0.004450 -0.004124 0.005635 0.001293 0.008320 0.013713 8C 1dxy -0.003539 -0.001662 0.002409 -0.001350 0.006752 0.011807 8C 2dz2 0.016136 0.023623 -0.019420 -0.009973 -0.008586 -0.023016 8C 2dxz 0.002359 -0.032058 0.020790 0.029228 0.014066 0.015916 8C 2dyz 0.038541 -0.006049 -0.006528 0.018449 -0.033613 -0.041384 8C 2dx2y2 -0.050985 -0.061005 0.034000 0.000233 -0.021350 -0.012830 8C 2dxy -0.035700 -0.043528 0.026589 -0.008221 -0.019670 -0.008968 8C 1f0 0.006524 0.008283 -0.004814 0.000136 0.003341 0.001408 8C 1f+1 0.003297 -0.000041 0.000020 0.001856 0.000208 0.000080 8C 1f-1 -0.003602 -0.002222 0.002142 -0.000001 0.001179 0.002497 8C 1f+2 0.000679 -0.002887 0.000574 -0.000287 0.001642 -0.000866 8C 1f-2 -0.001003 -0.000161 -0.000405 -0.001092 0.001835 -0.000085 8C 1f+3 0.003022 0.003955 -0.003090 -0.001666 -0.003189 -0.004157 8C 1f-3 -0.002509 0.002563 -0.001023 -0.002451 0.001485 0.002102 9C 1s 0.000656 0.003087 -0.000059 0.005112 -0.008968 0.003455 9C 2s 0.001228 0.007111 -0.000023 0.011308 -0.020020 0.008249 9C 3s 0.003740 -0.023267 -0.003213 -0.027471 0.027254 -0.038195 9C 4s -0.046554 0.053112 0.006609 0.018507 0.072892 0.153674 9C 5s -0.020084 -0.219684 0.280792 -0.757681 0.774264 -1.408687 9C 1pz 0.015747 0.015281 0.057999 0.059882 -0.047686 -0.008306 9C 1px 0.100341 -0.078482 0.002862 0.009172 0.005699 -0.008289 9C 1py -0.088060 0.004295 -0.096093 -0.130331 -0.031007 -0.019901 9C 2pz 0.026566 -0.017625 0.012063 0.026379 -0.078910 -0.004002 9C 2px 0.036427 -0.034007 -0.001378 0.002027 -0.007891 -0.003283 9C 2py -0.019279 0.001439 -0.028121 -0.037000 -0.049766 -0.002633 9C 3pz 0.043395 0.247345 0.323520 0.775853 -0.717164 0.505224 9C 3px 0.621251 -0.391936 0.065297 -0.029536 -0.091269 0.263445 9C 3py -0.441832 0.009925 -0.775340 -0.677136 -0.506399 0.294451 9C 1dz2 -0.000833 0.000867 -0.000643 0.000641 -0.005867 0.004735 9C 1dxz -0.008880 0.005121 -0.004583 -0.001067 -0.004999 0.000884 9C 1dyz 0.002115 0.000521 -0.001084 0.001692 -0.009640 0.008997 9C 1dx2y2 0.002752 -0.004654 -0.002612 -0.007725 0.004173 -0.000987 9C 1dxy 0.001772 0.003288 0.006891 0.010357 -0.002756 0.002370 9C 2dz2 -0.015593 0.000360 -0.006205 -0.025145 0.014685 -0.014033 9C 2dxz -0.067580 0.033483 -0.015426 -0.034153 0.003710 -0.006173 9C 2dyz 0.006960 -0.027271 -0.010638 -0.032410 0.029501 -0.039980 9C 2dx2y2 0.012312 -0.020257 -0.020843 -0.011527 -0.004059 0.008300 9C 2dxy 0.034958 -0.002324 0.040567 0.052393 0.006174 -0.004421 9C 1f0 0.001856 0.001277 0.004234 0.004626 -0.000451 -0.000650 9C 1f+1 -0.004065 0.001851 -0.002142 -0.003011 -0.001142 0.001415 9C 1f-1 0.001754 -0.001210 -0.001451 0.000467 -0.003660 0.000969 9C 1f+2 0.002882 -0.001951 -0.000528 0.000753 0.001484 0.000333 9C 1f-2 0.004054 -0.002768 0.001090 0.000338 -0.000323 -0.002900 9C 1f+3 0.004756 0.000408 0.003699 0.006945 -0.001470 0.004295 9C 1f-3 -0.004323 0.003598 0.000314 -0.000063 -0.000875 0.002836 10H 1s 0.019397 0.014603 -0.003662 0.013823 0.013597 0.000606 10H 2s -0.071598 -0.048982 -0.003007 0.091623 0.038176 0.004672 10H 3s 0.987036 0.638320 -0.072918 0.026286 0.210492 -0.294059 10H 1pz -0.014372 -0.007573 -0.003530 0.007500 0.004855 0.007033 10H 1px 0.019429 0.013532 -0.002311 -0.003855 0.004850 -0.001632 10H 1py -0.001683 -0.003822 0.008307 -0.002858 0.004175 0.003427 11H 1s -0.015170 -0.002840 -0.015002 0.008865 0.007317 0.009658 11H 2s 0.143722 0.073341 0.067585 -0.057268 0.043490 0.081044 11H 3s -1.164881 -0.374686 -1.182739 0.617780 -0.032303 -0.110890 11H 1pz 0.021622 0.011248 0.011500 -0.004396 0.008900 0.008312 11H 1px 0.019070 0.006627 0.019104 -0.013593 0.001650 0.006985 11H 1py -0.015162 -0.006440 -0.010278 0.006255 0.004048 0.000502 12H 1s 0.000243 -0.007995 0.020363 -0.019051 0.005766 0.008685 12H 2s -0.089633 0.019500 -0.118006 0.070484 0.033231 0.093054 12H 3s 0.351117 -0.477298 1.499163 -1.182146 0.018722 -0.258743 12H 1pz 0.004141 -0.000107 0.007637 -0.002751 0.008559 0.003573 12H 1px -0.009801 0.003240 -0.018598 0.011747 0.000563 0.007403 12H 1py -0.008485 0.010753 -0.029286 0.024521 0.005454 0.011451 13H 1s -0.008895 -0.005413 -0.008209 0.021196 0.008411 -0.026402 13H 2s 0.086234 -0.043885 -0.018305 0.002928 0.033120 -0.102604 13H 3s -0.634874 0.102496 -0.118668 0.799001 0.038321 -0.421760 13H 1pz 0.010044 0.001981 0.007503 -0.010567 0.004698 -0.007222 13H 1px -0.013794 0.006422 0.003168 0.009173 0.004855 -0.008211 13H 1py -0.007975 0.007127 0.002752 0.005242 -0.008472 0.007638 14H 1s -0.005243 0.020425 0.022203 -0.013022 0.012917 -0.016182 14H 2s 0.072172 -0.147847 -0.070608 -0.038996 0.049482 -0.025804 14H 3s -0.489486 1.655532 1.287564 -0.279898 0.144068 -0.326976 14H 1pz 0.004180 -0.017985 -0.010748 0.005085 0.004265 -0.007505 14H 1px 0.013445 -0.036886 -0.025772 0.000637 0.001545 0.004801 14H 1py 0.002650 -0.004138 -0.003166 -0.000749 -0.009407 0.010911 15H 1s 0.011140 -0.015343 -0.011947 -0.005142 0.011488 -0.003468 15H 2s -0.147022 0.069522 0.048767 0.027013 0.053948 -0.076874 15H 3s 1.005731 -0.982708 -1.019002 -0.270633 0.023195 0.718758 15H 1pz 0.018805 -0.015837 -0.014537 -0.003974 0.004373 0.003094 15H 1px -0.005650 0.007874 0.008024 -0.003105 0.003772 -0.005240 15H 1py 0.022745 -0.012556 -0.012536 -0.007612 -0.009254 0.022178 16H 1s -0.011117 -0.007725 0.001569 0.007778 -0.003546 -0.012678 16H 2s -0.018922 -0.020576 0.008247 -0.014900 0.020770 -0.030273 16H 3s -0.296615 -0.208067 0.006812 0.341523 -0.252918 -0.243642 16H 1pz 0.008260 0.004719 0.000097 -0.009774 0.005633 0.004686 16H 1px -0.001220 -0.000755 0.000458 0.000382 -0.001396 -0.002678 16H 1py 0.004756 0.002900 -0.000154 -0.003709 0.002181 0.001992 17H 1s 0.010494 0.004870 -0.005465 0.014596 -0.004533 -0.008036 17H 2s 0.016001 0.007868 -0.009917 0.007567 0.015445 -0.021351 17H 3s 0.318868 0.164175 -0.174191 0.473638 -0.264855 -0.193232 17H 1pz 0.004717 0.003354 -0.002941 0.007766 -0.002695 -0.002226 17H 1px 0.006201 0.002942 -0.003004 0.009025 -0.004871 -0.003166 17H 1py -0.006003 -0.003679 0.003040 -0.007150 0.002758 0.002345 18H 1s 0.010353 -0.005292 -0.000724 -0.015690 -0.004416 0.007711 18H 2s 0.016372 -0.008560 -0.007831 -0.010668 0.015520 0.020332 18H 3s 0.312376 -0.177156 -0.019212 -0.506676 -0.263114 0.189509 18H 1pz -0.004733 0.003619 0.000430 0.008481 0.002715 -0.002283 18H 1px -0.006097 0.003209 0.000050 0.009585 0.004790 -0.003064 18H 1py 0.005719 -0.003810 -0.000717 -0.007515 -0.002611 0.002173 19H 1s -0.011295 0.008211 0.004449 -0.006690 -0.003702 0.012920 19H 2s -0.018824 0.021511 0.004316 0.016603 0.020131 0.032766 19H 3s -0.304099 0.219494 0.128439 -0.316115 -0.255758 0.242302 19H 1pz -0.008346 0.005007 0.003287 -0.009033 -0.005621 0.004504 19H 1px 0.001291 -0.000846 -0.000618 0.000254 0.001473 -0.002715 19H 1py -0.005043 0.003227 0.001561 -0.003577 -0.002313 0.002055 20H 1s 0.011806 0.015488 -0.012457 0.001246 0.011585 0.002482 20H 2s -0.148990 -0.070111 0.052625 -0.007233 0.055349 0.076124 20H 3s 1.039345 0.996452 -1.014855 -0.069381 0.022487 -0.730841 20H 1pz -0.019317 -0.016065 0.014532 0.000963 -0.004278 0.003623 20H 1px 0.005900 0.008245 -0.006479 -0.005501 -0.003827 -0.005317 20H 1py -0.023113 -0.012484 0.013637 -0.002956 0.009360 0.021952 21H 1s -0.005348 -0.021083 0.016227 0.019129 0.012863 0.015469 21H 2s 0.077575 0.152017 -0.077435 0.015163 0.049630 0.023043 21H 3s -0.530475 -1.705415 1.092698 0.657064 0.138948 0.332744 21H 1pz -0.004619 -0.018855 0.008466 0.008126 -0.004263 -0.007068 21H 1px -0.014519 -0.037784 0.023394 0.008407 -0.001687 0.005044 21H 1py -0.002802 -0.004361 0.003161 0.000306 0.009416 0.010454 22H 1s -0.009473 0.006130 -0.001171 -0.022513 0.008332 0.025718 22H 2s 0.088794 0.040907 -0.013939 -0.009829 0.033098 0.098392 22H 3s -0.679160 -0.067191 0.126941 -0.786376 0.031413 0.425769 22H 1pz -0.010467 0.002757 -0.003891 -0.012115 -0.004752 -0.006786 22H 1px 0.014562 0.005867 -0.005438 0.007599 -0.004751 -0.008116 22H 1py 0.008589 0.006968 -0.004024 0.004136 0.008521 0.006961 23H 1s 0.000522 0.008013 0.013913 0.024261 0.005809 -0.007670 23H 2s -0.089632 -0.017876 -0.092698 -0.102225 0.034525 -0.090941 23H 3s 0.368201 0.465826 1.088745 1.583575 0.011926 0.270748 23H 1pz -0.004246 0.000092 -0.006646 -0.005044 -0.008521 0.002865 23H 1px 0.009854 0.002653 0.014092 0.016323 -0.000638 0.007397 23H 1py 0.008857 0.010788 0.021014 0.032444 -0.005687 0.011372 24H 1s -0.015316 0.003747 -0.011853 -0.012885 0.007229 -0.008940 24H 2s 0.140591 -0.076398 0.047084 0.075097 0.043435 -0.079849 24H 3s -1.157906 0.432616 -0.957439 -0.944086 -0.037266 0.105087 24H 1pz -0.021221 0.012129 -0.009662 -0.007429 -0.008980 0.007785 24H 1px -0.019147 0.007464 -0.014491 -0.018918 -0.001725 0.006985 24H 1py 0.014683 -0.006870 0.007803 0.008815 -0.004080 0.000228 25H 1s 0.019401 -0.016051 0.000501 -0.014596 0.013679 0.000263 25H 2s -0.071663 0.051206 0.029390 -0.087376 0.038471 0.001176 25H 3s 0.993003 -0.697245 -0.088252 -0.061558 0.207906 0.284769 25H 1pz 0.014622 -0.008448 0.000657 0.008123 -0.004852 0.006247 25H 1px -0.019423 0.014553 0.004190 -0.002575 -0.004770 -0.001425 25H 1py 0.001431 -0.003657 -0.007276 -0.005293 -0.004255 0.002835 26O 1s -0.001678 -0.000289 0.000933 -0.001950 -0.008347 0.009196 26O 2s -0.003825 -0.000598 0.001998 -0.004927 -0.019772 0.023126 26O 3s 0.002095 -0.000382 -0.000299 0.009952 0.023179 -0.048519 26O 4s 0.037534 0.010880 -0.026439 0.010484 0.103163 -0.001696 26O 5s -0.107691 -0.069564 0.222253 -0.014784 0.230423 -0.535686 26O 1pz -0.019988 -0.018333 -0.010852 -0.020330 0.048788 -0.016783 26O 1px -0.022042 -0.016568 -0.006231 0.015018 -0.024672 0.001037 26O 1py 0.015754 0.011599 0.006332 -0.008622 0.021687 -0.000528 26O 2pz -0.021447 -0.023832 -0.006259 -0.014815 0.045632 -0.011860 26O 2px -0.019488 -0.012758 -0.015444 0.002105 -0.029550 0.010636 26O 2py 0.009732 0.008085 -0.000657 -0.006642 0.017119 0.001320 26O 3pz -0.031294 0.011656 -0.067690 -0.033791 -0.005055 -0.076686 26O 3px 0.018085 0.035643 -0.103507 0.104487 -0.154131 0.183485 26O 3py 0.057579 0.036719 0.001611 -0.028127 -0.054125 0.028202 26O 1dz2 0.000165 -0.000119 0.000566 -0.000184 -0.000498 -0.000136 26O 1dxz -0.000596 -0.000217 -0.000514 -0.000483 -0.001609 -0.000733 26O 1dyz -0.000256 -0.000175 0.000314 -0.000119 -0.001409 -0.000045 26O 1dx2y2 0.000123 0.000728 -0.001417 0.001099 0.000603 0.001409 26O 1dxy 0.000045 -0.000438 0.000824 -0.000918 -0.000839 0.000169 26O 2dz2 0.004331 0.003582 0.000735 -0.001032 -0.004287 0.003892 26O 2dxz -0.001978 -0.001365 0.000371 -0.001537 -0.003726 -0.001105 26O 2dyz 0.000671 -0.000881 0.001644 -0.001837 -0.001196 -0.007816 26O 2dx2y2 -0.003202 -0.004428 0.004053 -0.000785 0.006820 -0.009510 26O 2dxy -0.002667 -0.004268 0.007015 -0.003045 0.003675 -0.009261 26O 1f0 -0.000354 -0.000141 -0.000147 0.000094 -0.000562 -0.000324 26O 1f+1 -0.000133 -0.000084 -0.000159 0.000050 0.000683 -0.000473 26O 1f-1 -0.000065 -0.000050 0.000087 -0.000118 0.000246 -0.000376 26O 1f+2 0.000020 0.000053 0.000033 0.000099 0.000547 0.000189 26O 1f-2 0.000233 0.000210 -0.000186 0.000162 0.000582 0.000336 26O 1f+3 -0.000024 -0.000090 -0.000313 0.000044 0.000894 -0.000308 26O 1f-3 0.000041 -0.000294 0.000668 -0.000445 0.000477 -0.000620 27O 1s -0.000351 -0.003347 0.003869 -0.008580 -0.005404 -0.000407 27O 2s -0.001246 -0.008308 0.009744 -0.021318 -0.012259 -0.001163 27O 3s 0.007784 0.015474 -0.020731 0.041368 0.005942 0.005560 27O 4s -0.031031 0.012653 -0.001579 0.032029 0.108481 -0.024986 27O 5s 0.166736 0.213451 -0.130087 0.159260 0.027204 0.171278 27O 1pz -0.033583 0.029731 0.010016 0.018785 0.036756 0.018792 27O 1px 0.009836 0.001208 -0.004947 0.000426 -0.023241 0.016910 27O 1py -0.005665 -0.012655 0.002794 0.018842 -0.051297 -0.009471 27O 2pz -0.023274 0.021722 0.007073 0.013225 0.034840 0.006651 27O 2px 0.008594 -0.007046 0.000968 -0.004931 -0.024173 0.026208 27O 2py -0.008315 -0.009513 -0.001975 0.021939 -0.049468 -0.001548 27O 3pz -0.060104 0.097978 0.027176 0.054732 0.015818 0.093403 27O 3px -0.070848 -0.061011 0.000183 0.048288 -0.105749 -0.127507 27O 3py 0.008633 0.008245 0.051120 -0.038968 0.021207 -0.093934 27O 1dz2 0.000457 -0.000176 -0.000391 0.000118 0.000169 0.000279 27O 1dxz 0.000249 0.001270 0.001119 -0.000428 -0.001202 0.000435 27O 1dyz -0.000066 -0.000275 -0.000844 0.000282 0.000570 0.000937 27O 1dx2y2 -0.000691 -0.000444 0.000130 -0.000240 0.001051 -0.001211 27O 1dxy -0.000394 0.000491 0.000366 0.000339 0.001881 -0.001906 27O 2dz2 -0.001255 -0.005900 -0.002180 0.002034 -0.002584 -0.005880 27O 2dxz -0.000999 0.000284 0.002210 -0.000522 -0.003490 -0.000444 27O 2dyz 0.000981 -0.003593 -0.001633 -0.004183 0.000058 0.000876 27O 2dx2y2 0.004696 0.002317 -0.003595 -0.004239 0.006101 0.005257 27O 2dxy -0.002650 -0.002388 0.000436 0.003068 0.002916 -0.005618 27O 1f0 -0.000009 0.000093 0.000356 -0.000081 -0.000647 -0.000028 27O 1f+1 -0.000107 0.000572 0.000231 -0.000083 0.000474 0.000193 27O 1f-1 0.000035 -0.000354 -0.000166 0.000052 0.000100 -0.000245 27O 1f+2 0.000040 -0.000158 -0.000373 -0.000100 0.000608 -0.000288 27O 1f-2 0.000133 0.000039 0.000321 -0.000130 -0.000030 -0.000076 27O 1f+3 -0.000021 0.000133 -0.000291 0.000022 0.001039 -0.000031 27O 1f-3 -0.000320 0.000120 0.000109 0.000350 0.000562 -0.000802 28O 1s 0.002692 0.001490 -0.000964 0.010706 -0.005379 0.004471 28O 2s 0.006821 0.003733 -0.002360 0.026641 -0.012247 0.011374 28O 3s -0.015795 -0.008376 0.004435 -0.051773 0.006721 -0.027129 28O 4s 0.007296 0.004766 0.005789 -0.035410 0.105645 0.024325 28O 5s -0.082576 -0.008917 -0.028438 -0.340335 0.048850 -0.352612 28O 1pz -0.007935 0.006425 -0.041196 0.004797 0.032430 -0.014546 28O 1px -0.006393 -0.008859 -0.008078 0.011548 0.043684 -0.026054 28O 1py 0.036096 0.016000 0.040504 -0.022457 0.043976 -0.010544 28O 2pz -0.010734 -0.003700 -0.030293 0.013939 0.028125 -0.016796 28O 2px 0.002576 -0.001659 -0.013077 -0.000225 0.041680 -0.012171 28O 2py 0.021575 0.005676 0.034093 -0.014211 0.041283 -0.009968 28O 3pz 0.013913 0.042695 -0.056719 -0.015064 -0.037918 0.038619 28O 3px -0.043419 -0.012023 -0.029644 -0.030084 0.108375 -0.163529 28O 3py 0.079241 0.058593 0.047944 -0.069758 0.019484 -0.031679 28O 1dz2 0.000266 0.000529 -0.000344 0.000501 -0.001294 -0.000177 28O 1dxz 0.000013 0.000064 0.000301 -0.000507 -0.000068 -0.000301 28O 1dyz 0.000540 0.000084 0.000460 0.000015 -0.001295 -0.000135 28O 1dx2y2 0.000122 0.000093 0.000266 0.000523 0.001027 0.000968 28O 1dxy 0.000044 0.000220 -0.000149 0.000536 0.000583 0.000555 28O 2dz2 -0.001961 0.000429 -0.005811 0.003182 -0.003526 -0.003570 28O 2dxz 0.002040 0.000813 0.002892 0.002425 -0.003870 0.005023 28O 2dyz 0.004662 -0.001246 0.006566 -0.006736 -0.001648 -0.006532 28O 2dx2y2 -0.001036 0.000153 -0.004209 -0.001154 0.005529 -0.001494 28O 2dxy -0.001088 -0.000081 -0.001026 0.000070 0.001829 -0.001434 28O 1f0 -0.000100 -0.000202 -0.000079 -0.000290 0.000597 -0.000090 28O 1f+1 -0.000053 -0.000134 -0.000323 0.000111 -0.000534 -0.000455 28O 1f-1 -0.000079 -0.000033 -0.000283 -0.000168 0.000216 0.000150 28O 1f+2 0.000027 0.000154 0.000215 0.000251 -0.000744 0.000393 28O 1f-2 0.000175 -0.000162 0.000490 -0.000234 -0.000235 -0.000375 28O 1f+3 0.000023 0.000095 0.000008 0.000154 -0.000702 0.000013 28O 1f-3 0.000162 0.000066 0.000234 -0.000084 -0.000362 0.000102 29O 1s -0.000607 -0.000926 -0.000717 0.001558 -0.002122 -0.003899 29O 2s -0.001442 -0.002288 -0.001967 0.004627 -0.005011 -0.009904 29O 3s 0.001798 0.004219 0.006721 -0.021487 0.007378 0.022952 29O 4s 0.007249 0.003322 -0.010327 0.051107 0.025143 -0.006687 29O 5s 0.000252 0.031426 0.056374 -0.225666 0.018190 0.200026 29O 1pz -0.052563 -0.035302 0.012094 0.015997 -0.005201 -0.011277 29O 1px -0.021318 -0.012685 0.014346 -0.065679 0.009191 0.031291 29O 1py 0.005294 0.005086 -0.015159 0.044469 -0.025923 -0.009337 29O 2pz -0.034440 -0.025436 0.008644 0.009891 0.002638 -0.008037 29O 2px -0.012107 -0.008095 0.010257 -0.041981 -0.011248 0.029383 29O 2py 0.003164 0.005037 -0.011887 0.028672 -0.015357 -0.000655 29O 3pz -0.107546 -0.071169 0.030378 0.020003 -0.028338 -0.025498 29O 3px -0.052462 -0.029192 0.025086 -0.136444 0.090545 0.021919 29O 3py 0.010839 -0.006099 -0.021008 0.077774 -0.036488 -0.069407 29O 1dz2 -0.000205 -0.000071 -0.000002 0.000514 0.000173 -0.000531 29O 1dxz 0.000267 0.000050 -0.000091 0.000713 0.000303 -0.000033 29O 1dyz -0.000205 -0.000197 0.000231 -0.000523 0.000212 -0.000050 29O 1dx2y2 0.000018 -0.000028 -0.000175 -0.000094 -0.000670 0.000075 29O 1dxy -0.000158 -0.000045 -0.000142 0.000440 -0.000312 -0.000096 29O 2dz2 -0.002772 -0.001618 -0.000221 0.004976 -0.003037 -0.004045 29O 2dxz 0.003103 0.001606 -0.001633 0.005383 -0.001746 -0.000418 29O 2dyz -0.004920 -0.002608 0.001393 -0.001451 -0.000044 -0.001404 29O 2dx2y2 0.001157 0.000076 -0.000385 0.000247 -0.001471 0.000066 29O 2dxy -0.001957 -0.000079 0.000411 -0.001371 0.001451 0.003601 29O 1f0 -0.000273 -0.000243 0.000168 -0.000386 0.000247 -0.000027 29O 1f+1 -0.000284 -0.000171 0.000049 0.000017 -0.000087 0.000158 29O 1f-1 0.000286 0.000142 -0.000023 -0.000568 0.000409 0.000269 29O 1f+2 -0.000252 -0.000120 0.000074 -0.000016 0.000086 -0.000031 29O 1f-2 -0.000315 -0.000131 0.000110 -0.000562 0.000274 0.000145 29O 1f+3 0.000129 0.000026 0.000053 0.000015 0.000194 -0.000041 29O 1f-3 0.000140 0.000107 -0.000023 -0.000153 -0.000040 0.000247 30O 1s 0.001007 -0.004021 -0.001956 0.003487 -0.007857 -0.005914 30O 2s 0.002140 -0.009969 -0.005099 0.008632 -0.018424 -0.015005 30O 3s 0.001975 0.019084 0.012285 -0.015890 0.018251 0.033836 30O 4s -0.038274 0.011544 -0.006915 -0.022286 0.114614 -0.017157 30O 5s 0.012019 0.160534 0.192832 0.032430 0.166657 0.454090 30O 1pz -0.033202 0.036765 0.021139 0.016714 0.018792 0.014919 30O 1px -0.007902 0.026411 0.005980 0.018375 0.045759 -0.017292 30O 1py -0.006839 0.030118 0.040321 -0.000859 -0.028941 -0.004638 30O 2pz -0.015926 0.027908 0.012829 0.013736 0.015053 0.006719 30O 2px -0.011110 0.021572 0.013532 0.008632 0.050878 -0.014127 30O 2py -0.011543 0.025878 0.039637 -0.000014 -0.022585 0.001930 30O 3pz -0.072377 0.035894 0.004181 0.000189 -0.073364 -0.038878 30O 3px -0.024432 0.075041 0.017408 0.092708 0.108797 0.182353 30O 3py -0.007844 0.051074 0.093939 0.019699 0.072599 0.012887 30O 1dz2 -0.000069 0.000565 0.000295 -0.000072 -0.000339 0.000280 30O 1dxz 0.000117 -0.000066 -0.000054 0.000301 -0.000208 0.000839 30O 1dyz -0.000026 -0.000108 -0.000030 -0.000337 0.001655 0.000274 30O 1dx2y2 0.000079 -0.000073 0.000243 -0.001030 0.001702 -0.002149 30O 1dxy 0.000189 -0.000232 -0.000869 -0.000215 -0.000092 0.000627 30O 2dz2 -0.002530 0.003709 0.004077 -0.000560 -0.002737 -0.006168 30O 2dxz 0.001224 -0.000984 -0.000982 -0.001401 -0.005676 -0.008932 30O 2dyz 0.002701 -0.007452 -0.005664 -0.001253 -0.000851 -0.007208 30O 2dx2y2 -0.001748 0.002031 0.004125 -0.001603 0.007568 -0.000415 30O 2dxy 0.001571 -0.003924 -0.001800 -0.000489 0.004276 0.009804 30O 1f0 -0.000028 0.000140 0.000140 0.000190 0.000420 0.000302 30O 1f+1 -0.000138 0.000298 0.000377 0.000065 -0.000455 0.000048 30O 1f-1 0.000139 0.000272 0.000280 0.000023 -0.000251 -0.000066 30O 1f+2 0.000314 -0.000327 -0.000163 0.000093 -0.001165 0.000132 30O 1f-2 0.000045 -0.000344 -0.000240 -0.000106 -0.000285 -0.000756 30O 1f+3 0.000192 -0.000226 -0.000253 -0.000074 -0.000867 0.000729 30O 1f-3 0.000087 -0.000024 0.000122 0.000132 -0.000855 -0.000260 31O 1s 0.001127 0.003985 -0.000605 -0.003929 -0.007784 0.005791 31O 2s 0.002444 0.009899 -0.001746 -0.009789 -0.018243 0.014671 31O 3s 0.001323 -0.019257 0.006033 0.018661 0.017905 -0.032727 31O 4s -0.038031 -0.009673 -0.014715 0.020501 0.114468 0.014536 31O 5s 0.000306 -0.163463 0.188912 0.025260 0.163121 -0.426914 31O 1pz 0.035404 0.037591 -0.024713 0.008879 -0.019019 0.013580 31O 1px 0.009369 0.026425 -0.010808 0.015741 -0.045395 -0.017004 31O 1py 0.007392 0.032152 -0.037459 -0.012814 0.028634 -0.003909 31O 2pz 0.017747 0.028801 -0.016204 0.008948 -0.015207 0.005876 31O 2px 0.012347 0.021379 -0.014730 0.003942 -0.050529 -0.013576 31O 2py 0.011933 0.027385 -0.036832 -0.012014 0.022271 0.001774 31O 3pz 0.072479 0.035969 -0.002650 -0.002532 0.072340 -0.039767 31O 3px 0.030074 0.074924 -0.044849 0.083391 -0.107518 0.169544 31O 3py 0.010980 0.053999 -0.095308 -0.009871 -0.071720 0.017317 31O 1dz2 -0.000079 -0.000559 0.000234 0.000165 -0.000349 -0.000234 31O 1dxz 0.000097 0.000058 0.000059 -0.000311 -0.000211 -0.000827 31O 1dyz -0.000018 0.000107 -0.000126 0.000321 0.001654 -0.000274 31O 1dx2y2 0.000111 0.000075 -0.000112 0.001064 0.001701 0.002058 31O 1dxy 0.000207 0.000237 -0.000875 -0.000063 -0.000080 -0.000589 31O 2dz2 -0.002587 -0.003926 0.003627 0.001826 -0.002709 0.006161 31O 2dxz 0.001370 0.000896 -0.001354 0.000915 -0.005642 0.008748 31O 2dyz 0.003093 0.007523 -0.005579 -0.000498 -0.000729 0.006888 31O 2dx2y2 -0.001799 -0.002105 0.003358 0.002851 0.007537 0.000437 31O 2dxy 0.001609 0.003997 -0.001705 -0.000026 0.004267 -0.009539 31O 1f0 0.000041 0.000135 -0.000188 0.000138 -0.000414 0.000309 31O 1f+1 0.000152 0.000314 -0.000373 -0.000056 0.000454 0.000031 31O 1f-1 -0.000127 0.000288 -0.000268 -0.000056 0.000254 -0.000073 31O 1f+2 -0.000321 -0.000316 0.000113 0.000153 0.001164 0.000109 31O 1f-2 -0.000063 -0.000346 0.000259 -0.000028 0.000276 -0.000744 31O 1f+3 -0.000202 -0.000226 0.000253 0.000010 0.000867 0.000700 31O 1f-3 -0.000084 -0.000008 -0.000161 0.000100 0.000851 -0.000274 32O 1s -0.000640 0.000988 -0.000106 -0.001681 -0.002147 0.003900 32O 2s -0.001538 0.002437 -0.000194 -0.004947 -0.005072 0.009905 32O 3s 0.002213 -0.004444 -0.000947 0.022276 0.007460 -0.022894 32O 4s 0.006351 -0.003900 0.006673 -0.051405 0.025341 0.006564 32O 5s 0.004291 -0.031720 -0.022188 0.230574 0.019022 -0.200322 32O 1pz 0.053266 -0.037605 -0.018438 0.009305 0.004885 -0.011051 32O 1px 0.020279 -0.013576 0.006976 -0.067392 -0.009232 0.031094 32O 1py -0.002968 0.004219 -0.000244 0.046387 0.025927 -0.009156 32O 2pz 0.034933 -0.027086 -0.012816 0.005291 -0.002789 -0.008142 32O 2px 0.011507 -0.008521 0.003293 -0.043377 0.011215 0.029340 32O 2py -0.001623 0.004353 0.001949 0.030498 0.015354 -0.000545 32O 3pz 0.108920 -0.075167 -0.038927 0.006032 0.028272 -0.025757 32O 3px 0.050497 -0.031845 0.018837 -0.138804 -0.090432 0.020922 32O 3py -0.006848 -0.007555 -0.006371 0.079480 0.036725 -0.069847 32O 1dz2 -0.000204 0.000067 0.000168 -0.000514 0.000160 0.000555 32O 1dxz 0.000272 -0.000070 0.000134 -0.000708 0.000310 0.000011 32O 1dyz -0.000205 0.000208 0.000070 0.000540 0.000196 0.000108 32O 1dx2y2 0.000022 0.000029 -0.000193 0.000036 -0.000672 -0.000087 32O 1dxy -0.000163 0.000053 0.000010 -0.000473 -0.000318 0.000108 32O 2dz2 -0.002636 0.001630 0.001443 -0.004815 -0.003079 0.003969 32O 2dxz 0.003130 -0.001773 0.000101 -0.005647 -0.001683 0.000349 32O 2dyz -0.004966 0.002861 0.001010 0.001660 -0.000245 0.001516 32O 2dx2y2 0.001286 -0.000185 -0.000304 -0.000406 -0.001471 -0.000069 32O 2dxy -0.001872 0.000096 -0.000048 0.001306 0.001367 -0.003546 32O 1f0 0.000286 -0.000264 -0.000059 -0.000388 -0.000218 -0.000052 32O 1f+1 0.000279 -0.000177 -0.000067 0.000027 0.000101 0.000154 32O 1f-1 -0.000267 0.000132 0.000207 -0.000551 -0.000424 0.000256 32O 1f+2 0.000252 -0.000130 -0.000077 -0.000019 -0.000063 -0.000037 32O 1f-2 0.000327 -0.000157 0.000069 -0.000568 -0.000258 0.000143 32O 1f+3 -0.000120 0.000026 -0.000054 -0.000013 -0.000207 -0.000039 32O 1f-3 -0.000148 0.000115 0.000074 -0.000138 0.000033 0.000246 33O 1s 0.002421 -0.001716 0.002566 -0.010582 -0.005262 -0.004328 33O 2s 0.006140 -0.004306 0.006421 -0.026329 -0.011954 -0.010977 33O 3s -0.014341 0.009671 -0.012603 0.051235 0.006119 0.025712 33O 4s 0.007252 -0.005235 -0.006214 0.034890 0.105575 -0.020714 33O 5s -0.071253 0.020382 -0.138992 0.324459 0.043034 0.320469 33O 1pz 0.007499 0.006031 0.038719 0.016917 -0.032608 -0.013578 33O 1px 0.006332 -0.008732 0.004482 0.014421 -0.043607 -0.027180 33O 1py -0.035933 0.017290 -0.031827 -0.033688 -0.043499 -0.010888 33O 2pz 0.010236 -0.003927 0.024878 0.022511 -0.028296 -0.016831 33O 2px -0.002752 -0.001486 0.013161 0.004429 -0.041633 -0.013059 33O 2py -0.021708 0.006621 -0.028527 -0.024051 -0.040871 -0.010908 33O 3pz -0.012922 0.043212 0.061490 0.003848 0.036635 0.041518 33O 3px 0.040641 -0.015100 0.039089 -0.022173 -0.106513 -0.152470 33O 3py -0.078181 0.060615 -0.022191 -0.080375 -0.018804 -0.025808 33O 1dz2 0.000265 -0.000535 -0.000202 -0.000577 -0.001299 0.000105 33O 1dxz 0.000026 -0.000067 0.000126 0.000589 -0.000079 0.000303 33O 1dyz 0.000551 -0.000142 0.000444 0.000105 -0.001288 0.000130 33O 1dx2y2 0.000081 -0.000101 0.000425 -0.000443 0.001037 -0.000881 33O 1dxy 0.000030 -0.000226 0.000017 -0.000574 0.000585 -0.000490 33O 2dz2 -0.002011 -0.000341 -0.004758 -0.004869 -0.003572 0.003298 33O 2dxz 0.001842 -0.001060 0.003467 -0.001703 -0.003824 -0.004656 33O 2dyz 0.004853 0.000950 0.004116 0.008329 -0.001737 0.006377 33O 2dx2y2 -0.000982 0.000014 -0.004466 -0.000099 0.005485 0.001296 33O 2dxy -0.001039 0.000057 -0.001114 -0.000512 0.001806 0.001475 33O 1f0 0.000084 -0.000211 0.000160 -0.000262 -0.000595 -0.000111 33O 1f+1 0.000047 -0.000137 0.000275 0.000205 0.000538 -0.000417 33O 1f-1 0.000082 -0.000049 0.000322 -0.000082 -0.000216 0.000145 33O 1f+2 -0.000017 0.000169 -0.000286 0.000182 0.000734 0.000403 33O 1f-2 -0.000184 -0.000145 -0.000404 -0.000376 0.000239 -0.000354 33O 1f+3 -0.000016 0.000100 -0.000057 0.000146 0.000699 0.000042 33O 1f-3 -0.000156 0.000071 -0.000204 -0.000157 0.000360 0.000119 34O 1s -0.000057 0.003269 0.001012 0.009376 -0.005322 0.000272 34O 2s -0.000513 0.008136 0.002630 0.023352 -0.012057 0.000803 34O 3s 0.006351 -0.015419 -0.006718 -0.046109 0.005569 -0.004405 34O 4s -0.031883 -0.010757 0.007831 -0.029578 0.108153 0.022504 34O 5s 0.156578 -0.221602 -0.075211 -0.202699 0.024375 -0.148041 34O 1pz 0.034982 0.029011 -0.014500 0.013865 -0.036939 0.018582 34O 1px -0.010325 0.002000 0.004006 0.001838 0.022988 0.016245 34O 1py 0.005896 -0.012195 -0.009346 0.016860 0.050981 -0.008568 34O 2pz 0.024331 0.021179 -0.010302 0.009606 -0.035003 0.007128 34O 2px -0.009206 -0.006549 0.000002 -0.005224 0.023929 0.025342 34O 2py 0.008601 -0.009243 -0.005595 0.021173 0.049110 -0.001438 34O 3pz 0.064577 0.098658 -0.040605 0.043090 -0.015615 0.085770 34O 3px 0.068340 -0.063577 -0.015580 0.041183 0.104224 -0.120849 34O 3py -0.008556 0.010200 -0.036431 -0.051563 -0.021168 -0.085667 34O 1dz2 0.000464 0.000169 -0.000323 -0.000248 0.000164 -0.000267 34O 1dxz 0.000213 -0.001335 0.000905 0.000726 -0.001217 -0.000373 34O 1dyz -0.000065 0.000301 -0.000698 -0.000511 0.000573 -0.000896 34O 1dx2y2 -0.000677 0.000474 0.000038 0.000300 0.001055 0.001206 34O 1dxy -0.000411 -0.000488 0.000412 -0.000203 0.001880 0.001849 34O 2dz2 -0.001055 0.006132 -0.001403 -0.002421 -0.002531 0.005728 34O 2dxz -0.000980 -0.000290 0.001865 0.001203 -0.003491 0.000499 34O 2dyz 0.001265 0.003561 -0.002726 0.003550 0.000150 -0.000889 34O 2dx2y2 0.004715 -0.002409 -0.004675 0.002797 0.006044 -0.005168 34O 2dxy -0.002601 0.002506 0.001366 -0.002659 0.002941 0.005472 34O 1f0 0.000007 0.000105 -0.000309 -0.000186 0.000644 -0.000046 34O 1f+1 0.000132 0.000580 -0.000183 -0.000144 -0.000467 0.000199 34O 1f-1 -0.000048 -0.000364 0.000135 0.000097 -0.000101 -0.000234 34O 1f+2 -0.000046 -0.000176 0.000382 0.000019 -0.000607 -0.000261 34O 1f-2 -0.000133 0.000047 -0.000263 -0.000213 0.000033 -0.000075 34O 1f+3 0.000031 0.000118 0.000271 0.000107 -0.001031 -0.000006 34O 1f-3 0.000327 0.000112 -0.000202 0.000285 -0.000563 -0.000777 35O 1s -0.001792 0.000429 0.000351 0.002161 -0.008259 -0.009183 35O 2s -0.004107 0.000946 0.000539 0.005349 -0.019554 -0.023061 35O 3s 0.002679 -0.000254 0.002531 -0.009593 0.022756 0.047816 35O 4s 0.037382 -0.011512 -0.022296 -0.018431 0.102929 0.005050 35O 5s -0.103653 0.063941 0.204120 0.076488 0.226271 0.520340 35O 1pz 0.018880 -0.019432 0.017055 -0.016323 -0.048800 -0.016530 35O 1px 0.022188 -0.017694 0.000455 0.015904 0.024348 0.001720 35O 1py -0.014278 0.010896 -0.003065 -0.009981 -0.021157 -0.000181 35O 2pz 0.020218 -0.024878 0.010501 -0.012457 -0.045650 -0.012634 35O 2px 0.019135 -0.014271 0.013497 0.005953 0.029237 0.011952 35O 2py -0.008658 0.007136 0.002858 -0.006222 -0.016639 0.001333 35O 3pz 0.031300 0.007792 0.077615 -0.013361 0.005426 -0.065648 35O 3px -0.014335 0.034238 0.064980 0.129071 0.151917 0.179359 35O 3py -0.055454 0.036149 0.007353 -0.028956 0.054403 0.033318 35O 1dz2 0.000174 0.000091 0.000479 0.000320 -0.000503 0.000152 35O 1dxz -0.000596 0.000275 -0.000653 0.000303 -0.001620 0.000631 35O 1dyz -0.000262 0.000179 0.000254 0.000189 -0.001411 0.000033 35O 1dx2y2 0.000076 -0.000708 -0.001027 -0.001481 0.000614 -0.001374 35O 1dxy 0.000059 0.000442 0.000535 0.001151 -0.000838 -0.000199 35O 2dz2 0.004358 -0.003760 0.000261 0.001205 -0.004262 -0.003967 35O 2dxz -0.001967 0.001481 -0.000110 0.001573 -0.003721 0.000959 35O 2dyz 0.000780 0.000771 0.000872 0.002098 -0.001259 0.007701 35O 2dx2y2 -0.003038 0.004415 0.003721 0.001882 0.006730 0.009631 35O 2dxy -0.002599 0.004267 0.005832 0.004929 0.003596 0.009307 35O 1f0 0.000352 -0.000156 0.000117 0.000134 0.000564 -0.000293 35O 1f+1 0.000126 -0.000083 0.000142 0.000100 -0.000680 -0.000502 35O 1f-1 0.000059 -0.000052 -0.000042 -0.000138 -0.000243 -0.000379 35O 1f+2 -0.000020 0.000062 -0.000058 0.000087 -0.000547 0.000158 35O 1f-2 -0.000228 0.000214 0.000128 0.000205 -0.000586 0.000309 35O 1f+3 0.000005 -0.000086 0.000291 0.000144 -0.000892 -0.000345 35O 1f-3 -0.000056 -0.000277 -0.000508 -0.000620 -0.000470 -0.000643 144 145 146 147 148 149 0.14921 0.15002 0.16189 0.16304 0.16416 0.18716 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s 0.000483 0.000615 0.002433 -0.000827 -0.001859 0.003925 0Rh 2s -0.001913 -0.002174 -0.008391 0.003133 0.006798 -0.012646 0Rh 3s 0.001621 0.002225 0.008944 -0.002868 -0.006593 0.014985 0Rh 4s 0.008399 0.009444 0.036371 -0.013707 -0.029628 0.054376 0Rh 5s -0.007341 -0.006381 -0.022731 0.010931 0.021502 -0.025221 0Rh 6s -0.012262 -0.020813 -0.088139 0.024285 0.060621 -0.166929 0Rh 7s -0.016206 0.108740 0.530229 -0.061979 0.013254 0.005716 0Rh 8s -0.033045 -0.179328 -1.137025 0.322310 -0.458697 1.287840 0Rh 1pz -0.003318 0.000199 -0.005918 0.007590 0.004984 -0.004484 0Rh 1px -0.002550 0.001980 0.022317 0.002105 0.005111 0.006403 0Rh 1py 0.000917 0.000553 0.007514 0.006424 -0.008200 -0.005915 0Rh 2pz 0.011377 -0.000689 0.020328 -0.026164 -0.017191 0.015436 0Rh 2px 0.008776 -0.006761 -0.076557 -0.007300 -0.017581 -0.021954 0Rh 2py -0.003169 -0.001911 -0.025762 -0.022159 0.028289 0.020357 0Rh 3pz -0.010126 0.000737 -0.018806 0.025903 0.017181 -0.014744 0Rh 3px -0.008454 0.005561 0.068845 0.008093 0.016677 0.019361 0Rh 3py 0.003298 0.002011 0.022882 0.022215 -0.028421 -0.019309 0Rh 4pz -0.013778 0.000280 -0.022354 0.021751 0.013631 -0.015403 0Rh 4px -0.008162 0.009858 0.091469 0.002515 0.017560 0.027998 0Rh 4py 0.001971 0.001077 0.031637 0.017377 -0.021888 -0.020206 0Rh 5pz -0.006646 0.002312 -0.010949 0.032125 0.023501 -0.015018 0Rh 5px -0.009820 0.000105 0.029435 0.018958 0.015308 0.005844 0Rh 5py 0.005308 0.003854 0.013423 0.030316 -0.039620 -0.027869 0Rh 6pz -0.076637 0.002168 0.113660 -0.280728 -0.264888 0.148300 0Rh 6px 0.109827 -0.043581 -0.449264 -0.301137 -0.225249 -0.103133 0Rh 6py -0.014299 0.004019 -0.226183 -0.381566 0.387533 0.416748 0Rh 1dz2 0.006750 0.001319 -0.011140 0.001070 0.000199 -0.010870 0Rh 1dxz -0.007751 -0.003598 -0.018892 -0.000531 -0.002899 -0.006750 0Rh 1dyz 0.000938 0.006264 -0.002182 -0.001789 -0.001232 -0.003675 0Rh 1dx2y2 -0.002234 0.003132 0.026528 -0.002885 0.001009 0.010593 0Rh 1dxy -0.000131 0.003444 0.002063 -0.004232 0.000572 0.018481 0Rh 2dz2 -0.000348 -0.000093 0.000570 0.000276 0.000219 0.000045 0Rh 2dxz 0.000151 0.000062 0.000858 -0.000131 0.000071 0.000835 0Rh 2dyz -0.000058 -0.000588 0.000364 0.000242 -0.000189 -0.000204 0Rh 2dx2y2 0.000011 -0.000164 -0.000906 0.000084 -0.000412 -0.000682 0Rh 2dxy 0.000096 -0.000402 -0.000711 -0.000161 0.000164 0.000318 0Rh 3dz2 -0.010338 -0.001930 0.016993 -0.002972 -0.001233 0.018816 0Rh 3dxz 0.012915 0.005994 0.029367 0.001468 0.004768 0.008353 0Rh 3dyz -0.001355 -0.008519 0.002287 0.002111 0.002902 0.007288 0Rh 3dx2y2 0.003840 -0.004745 -0.042317 0.004667 -0.000088 -0.015619 0Rh 3dxy -0.000142 -0.004350 -0.000639 0.008012 -0.001642 -0.033712 0Rh 4dz2 -0.013907 -0.002385 0.022344 0.001912 0.002569 0.015272 0Rh 4dxz 0.012704 0.005775 0.036778 -0.000602 0.005305 0.019590 0Rh 4dyz -0.002169 -0.014480 0.007518 0.005641 -0.000393 0.002153 0Rh 4dx2y2 0.003436 -0.006239 -0.048174 0.004892 -0.006836 -0.022840 0Rh 4dxy 0.001363 -0.009237 -0.011414 0.004134 0.000913 -0.021333 0Rh 5dz2 -0.009023 -0.010977 0.019940 -0.019576 -0.014488 0.051789 0Rh 5dxz 0.025938 0.010025 0.034202 0.002444 0.002928 -0.005407 0Rh 5dyz 0.001254 -0.020020 -0.009588 -0.008100 0.010446 0.032629 0Rh 5dx2y2 0.007895 -0.006214 -0.063922 0.011639 0.020979 -0.026453 0Rh 5dxy -0.005621 -0.002101 0.021593 0.023674 -0.006307 -0.094331 0Rh 1f0 0.000937 -0.000564 0.002354 0.001314 -0.002636 -0.001262 0Rh 1f+1 -0.001638 0.000989 -0.001499 0.002436 0.001211 0.000049 0Rh 1f-1 -0.002404 -0.000503 -0.000015 0.005893 -0.001638 -0.001080 0Rh 1f+2 0.004713 -0.000912 -0.003053 -0.004543 -0.004512 0.000439 0Rh 1f-2 0.001878 0.002085 -0.000971 0.001608 -0.005069 -0.000218 0Rh 1f+3 -0.002330 -0.000354 -0.003690 0.000544 0.003889 0.000563 0Rh 1f-3 0.000313 -0.001126 -0.001942 0.001995 -0.003023 0.000175 1Rh 1s -0.000492 0.000592 0.002640 0.000593 0.001660 0.004143 1Rh 2s 0.001944 -0.002109 -0.009160 -0.002321 -0.006110 -0.013477 1Rh 3s -0.001656 0.002137 0.009672 0.002009 0.005860 0.015736 1Rh 4s -0.008537 0.009167 0.039725 0.010187 0.026645 0.058016 1Rh 5s 0.007419 -0.006319 -0.025254 -0.008697 -0.019634 -0.028165 1Rh 6s 0.012642 -0.019707 -0.094661 -0.015889 -0.053407 -0.173257 1Rh 7s 0.016466 0.112924 0.530344 0.010941 -0.057765 0.012070 1Rh 8s 0.035573 -0.230660 -1.114691 -0.214365 0.552873 1.239023 1Rh 1pz -0.003441 0.000145 0.006824 0.007024 0.004479 0.004159 1Rh 1px -0.002202 -0.001865 -0.021613 0.004025 0.006792 -0.006049 1Rh 1py 0.001038 -0.000459 -0.007445 0.007098 -0.007608 0.006016 1Rh 2pz 0.011799 -0.000493 -0.023453 -0.024220 -0.015456 -0.014318 1Rh 2px 0.007579 0.006363 0.074134 -0.013887 -0.023345 0.020731 1Rh 2py -0.003583 0.001591 0.025528 -0.024471 0.026261 -0.020705 1Rh 3pz -0.010537 0.000352 0.021921 0.024112 0.015586 0.013682 1Rh 3px -0.007302 -0.005073 -0.066470 0.013983 0.021834 -0.018092 1Rh 3py 0.003658 -0.001728 -0.022687 0.024284 -0.026630 0.019656 1Rh 4pz -0.014159 0.001010 0.024866 0.019589 0.011686 0.014279 1Rh 4px -0.007021 -0.009900 -0.089380 0.010522 0.024560 -0.027178 1Rh 4py 0.002507 -0.000674 -0.031298 0.020159 -0.019364 0.020495 1Rh 5pz -0.007087 -0.001421 0.015028 0.031073 0.022622 0.013908 1Rh 5px -0.008875 0.001294 -0.026423 0.021214 0.017281 -0.003863 1Rh 5py 0.005472 -0.003650 -0.013415 0.031657 -0.038630 0.028300 1Rh 6pz -0.073639 -0.001903 -0.156679 -0.267603 -0.254258 -0.122556 1Rh 6px 0.102474 0.024380 0.402014 -0.337896 -0.257548 0.060369 1Rh 6py -0.018826 -0.002328 0.215945 -0.402462 0.370120 -0.425260 1Rh 1dz2 -0.006431 0.001501 -0.011310 -0.000178 0.000654 -0.010925 1Rh 1dxz 0.007951 -0.004050 -0.018260 0.002132 0.004261 -0.006740 1Rh 1dyz -0.000655 0.006445 -0.001939 0.002015 0.001332 -0.003668 1Rh 1dx2y2 0.001944 0.003470 0.026523 0.000430 -0.003110 0.010574 1Rh 1dxy 0.000230 0.003042 0.002377 0.004055 -0.000715 0.018479 1Rh 2dz2 0.000336 -0.000107 0.000525 -0.000323 -0.000264 0.000037 1Rh 2dxz -0.000164 0.000071 0.000853 0.000056 -0.000133 0.000802 1Rh 2dyz 0.000022 -0.000587 0.000357 -0.000273 0.000167 -0.000212 1Rh 2dx2y2 -0.000005 -0.000178 -0.000870 -0.000004 0.000485 -0.000657 1Rh 2dxy -0.000099 -0.000385 -0.000700 0.000229 -0.000111 0.000336 1Rh 3dz2 0.009834 -0.002190 0.017474 0.001620 -0.000065 0.018946 1Rh 3dxz -0.013209 0.006745 0.028285 -0.003946 -0.006884 0.008466 1Rh 3dyz 0.001009 -0.008836 0.001894 -0.002374 -0.002983 0.007309 1Rh 3dx2y2 -0.003364 -0.005276 -0.042462 -0.000735 0.003438 -0.015689 1Rh 3dxy -0.000020 -0.003718 -0.001232 -0.007982 0.001673 -0.033781 1Rh 4dz2 0.013343 -0.002816 0.022032 -0.003722 -0.004291 0.015228 1Rh 4dxz -0.013147 0.006525 0.035788 -0.002538 -0.007960 0.019158 1Rh 4dyz 0.001397 -0.014728 0.007067 -0.006352 -0.000014 0.002041 1Rh 4dx2y2 -0.002962 -0.006887 -0.047693 -0.000474 0.010676 -0.022467 1Rh 4dxy -0.001519 -0.008464 -0.011724 -0.003073 -0.000081 -0.021106 1Rh 5dz2 0.007788 -0.011139 0.023149 0.018067 0.013028 0.052804 1Rh 5dxz -0.026208 0.011610 0.032870 -0.005264 -0.005397 -0.003490 1Rh 5dyz -0.001657 -0.020939 -0.009659 0.008894 -0.009845 0.032994 1Rh 5dx2y2 -0.006791 -0.006862 -0.066467 -0.005746 -0.016146 -0.028422 1Rh 5dxy 0.005142 -0.001437 0.019731 -0.025873 0.004667 -0.095366 1Rh 1f0 0.001019 0.000577 -0.002383 0.001527 -0.002460 0.001319 1Rh 1f+1 -0.001732 -0.000849 0.001764 0.002310 0.001100 -0.000157 1Rh 1f-1 -0.002368 0.000840 0.000360 0.005884 -0.001664 0.001041 1Rh 1f+2 0.004691 0.000598 0.002388 -0.004785 -0.004715 -0.000405 1Rh 1f-2 0.001759 -0.002049 0.000776 0.001529 -0.005116 0.000237 1Rh 1f+3 -0.002382 0.000454 0.003925 0.000205 0.003591 -0.000722 1Rh 1f-3 0.000324 0.001192 0.001901 0.001842 -0.003183 -0.000216 2C 1s 0.006254 0.004393 -0.000307 0.002543 0.000224 -0.000734 2C 2s 0.014456 0.010089 -0.000624 0.005481 0.000667 -0.001181 2C 3s -0.045693 -0.012855 -0.004062 0.014616 -0.004974 -0.013445 2C 4s 0.154155 0.033526 -0.011927 -0.081530 0.050366 0.088435 2C 5s -2.289921 -3.289009 0.718970 -1.490691 -0.606966 0.885862 2C 1pz 0.010907 -0.030763 0.032481 -0.102290 -0.021173 0.024378 2C 1px 0.032329 -0.022613 0.045789 -0.065315 -0.016135 0.059908 2C 1py -0.058968 -0.017428 0.019570 -0.041851 0.015647 -0.021402 2C 2pz -0.029709 -0.124678 0.029700 -0.132895 -0.011555 0.057925 2C 2px 0.009621 -0.027070 0.032574 -0.052297 -0.016849 0.009081 2C 2py -0.029856 -0.079139 0.030723 -0.079718 -0.009765 0.004876 2C 3pz -0.927391 -1.521115 0.679117 -1.487118 -0.486727 0.316159 2C 3px -0.066991 -0.380661 0.211103 -0.310540 -0.219358 -0.043025 2C 3py -1.183626 -1.065921 0.417020 -0.840789 -0.020866 0.028028 2C 1dz2 0.009831 0.009309 -0.005957 0.009501 0.002769 0.003312 2C 1dxz 0.009922 0.005320 0.001106 0.002141 -0.003359 -0.002679 2C 1dyz 0.014553 0.014589 -0.008697 0.014165 0.005820 0.004375 2C 1dx2y2 -0.003864 -0.004859 0.001369 -0.005388 -0.001255 0.004755 2C 1dxy -0.000110 0.002615 0.000385 0.002355 0.002712 -0.002679 2C 2dz2 -0.029919 -0.032427 -0.002120 0.004634 0.001302 -0.011809 2C 2dxz 0.003449 -0.030891 0.014682 -0.022991 -0.008536 0.039445 2C 2dyz -0.042457 -0.044258 -0.006023 0.008189 -0.010085 -0.033717 2C 2dx2y2 0.007868 0.023090 -0.004465 0.006392 0.001009 -0.020912 2C 2dxy -0.026366 -0.009059 0.001911 0.002924 0.003948 -0.010634 2C 1f0 0.000866 0.000202 -0.000457 0.000103 -0.000390 -0.001684 2C 1f+1 -0.003349 -0.001234 -0.000443 0.001661 -0.000395 -0.004526 2C 1f-1 -0.002943 -0.005149 0.001563 -0.003506 -0.000365 0.002214 2C 1f+2 -0.000380 0.000496 0.000494 0.000953 -0.000054 0.003202 2C 1f-2 0.003209 -0.001038 0.002296 -0.005407 -0.000371 0.003516 2C 1f+3 -0.002823 -0.003115 0.000459 0.001159 -0.001486 -0.001817 2C 1f-3 -0.002671 0.000023 -0.001771 0.003579 -0.000004 -0.006380 3C 1s 0.003644 -0.003196 0.000255 -0.000068 0.001201 -0.000943 3C 2s 0.008517 -0.007352 0.000675 -0.000302 0.002529 -0.001838 3C 3s -0.031771 0.006897 -0.009074 0.001483 0.020830 -0.005961 3C 4s 0.121726 -0.036679 0.010183 -0.031568 -0.089094 0.044945 3C 5s -1.595911 3.272890 0.415561 0.564620 -1.210458 0.830589 3C 1pz 0.014261 -0.000295 -0.000863 -0.015567 -0.002332 -0.038700 3C 1px -0.000574 0.026237 0.027091 0.012560 -0.046696 0.013280 3C 1py -0.001124 -0.031428 -0.048875 -0.017146 0.117053 -0.042137 3C 2pz -0.013569 0.063016 0.020961 0.009976 -0.047072 -0.022028 3C 2px -0.013830 0.051365 0.009201 0.016269 -0.053621 0.016338 3C 2py 0.010524 -0.113774 -0.038448 -0.019054 0.137468 -0.055883 3C 3pz -0.251581 0.864168 0.262848 -0.037616 -0.564260 0.374398 3C 3px -0.300158 0.645469 0.206067 0.195138 -0.452223 0.017883 3C 3py 0.801273 -1.578972 -0.595709 -0.467202 1.319677 -0.125235 3C 1dz2 -0.002897 0.002373 0.001387 0.001577 -0.001341 -0.004213 3C 1dxz 0.003252 -0.004502 -0.004571 -0.001013 0.003242 0.002672 3C 1dyz -0.010094 0.013078 0.004707 0.006478 -0.012093 -0.000753 3C 1dx2y2 -0.004820 0.009796 0.003036 0.000177 -0.006892 0.002611 3C 1dxy -0.004882 0.007885 0.004373 0.000632 -0.004129 -0.002753 3C 2dz2 -0.000913 -0.008875 -0.000091 0.003282 -0.004667 0.003478 3C 2dxz -0.016915 0.027959 0.006685 0.005124 -0.001732 -0.006065 3C 2dyz 0.036824 -0.031266 0.019969 -0.006537 -0.024128 0.045777 3C 2dx2y2 0.019293 -0.040009 -0.003602 -0.007607 0.007552 -0.014323 3C 2dxy 0.020937 -0.035157 -0.004679 -0.007159 0.011128 -0.016212 3C 1f0 0.002934 -0.004406 -0.001434 -0.001120 0.002118 -0.002957 3C 1f+1 -0.000084 -0.001221 -0.002077 -0.000496 0.001693 -0.002555 3C 1f-1 0.003120 -0.000899 0.001344 -0.000024 -0.003416 0.004218 3C 1f+2 -0.002343 -0.001307 -0.002587 -0.000308 0.005222 -0.001238 3C 1f-2 -0.000274 -0.001357 0.000125 -0.000119 0.002481 0.000018 3C 1f+3 -0.002302 0.003355 -0.000204 0.000515 0.000834 -0.003067 3C 1f-3 0.001848 -0.000664 0.002164 -0.000480 -0.003180 0.004354 4C 1s -0.015149 -0.016546 0.018656 -0.026363 -0.005183 0.000115 4C 2s -0.033386 -0.036301 0.041586 -0.059310 -0.011572 0.002050 4C 3s 0.053204 0.024659 -0.072780 0.084826 0.016816 -0.033567 4C 4s 0.169863 0.329674 -0.201088 0.317498 0.067511 0.191469 4C 5s 1.268594 2.460912 -0.788541 3.040326 0.531217 -2.183185 4C 1pz -0.102805 -0.078648 0.001201 -0.033713 0.003825 -0.025539 4C 1px -0.020218 -0.015420 0.016491 -0.019681 -0.008403 -0.027453 4C 1py -0.009326 -0.045138 0.012814 -0.040615 -0.050543 0.010909 4C 2pz -0.241843 -0.190763 0.004970 -0.029943 0.013695 0.001337 4C 2px -0.036533 0.002109 0.073108 0.007275 -0.043161 -0.304367 4C 2py -0.068535 -0.087922 0.037935 -0.026713 -0.101253 -0.032798 4C 3pz -1.104760 -1.818758 0.556892 -1.016308 -0.314771 0.520618 4C 3px -0.094527 -0.201549 0.392411 -0.287686 -0.223576 -0.519355 4C 3py -0.639927 -1.194391 0.471481 -0.729374 -0.125618 -0.030682 4C 1dz2 0.000284 -0.002233 0.000258 -0.002852 0.001093 -0.002064 4C 1dxz -0.001226 -0.000890 -0.004459 0.005746 0.002392 -0.001972 4C 1dyz 0.002767 -0.001813 0.001330 -0.010468 -0.001022 0.006540 4C 1dx2y2 0.000593 0.001194 0.003385 -0.007969 0.001120 0.007165 4C 1dxy -0.000207 0.000203 0.000909 -0.005248 0.001683 0.004972 4C 2dz2 0.006084 0.028838 -0.008101 0.008794 0.006383 0.056383 4C 2dxz 0.006170 0.036523 -0.003364 0.029221 -0.013841 -0.101292 4C 2dyz 0.010013 0.041039 0.012805 0.001860 0.008555 0.021178 4C 2dx2y2 -0.019997 -0.023221 0.016927 -0.013285 -0.000462 -0.007014 4C 2dxy -0.000759 0.012802 0.027861 0.001568 -0.009813 -0.080098 4C 1f0 0.001153 -0.001754 0.000000 -0.000574 -0.001342 0.001794 4C 1f+1 0.000129 -0.002113 0.000964 0.001415 -0.002053 -0.003362 4C 1f-1 -0.002687 -0.006828 0.000752 -0.003478 -0.000178 0.004130 4C 1f+2 0.001913 0.003171 -0.000828 -0.000752 0.001424 0.004508 4C 1f-2 -0.001053 -0.001745 0.002298 -0.001205 0.000189 -0.006207 4C 1f+3 0.001286 -0.000846 -0.000019 -0.000676 -0.001910 0.003437 4C 1f-3 -0.002196 -0.001926 -0.000692 0.001541 0.002615 0.003541 5C 1s -0.008064 0.016709 0.017953 0.004712 -0.023060 0.002042 5C 2s -0.017416 0.036667 0.040198 0.010430 -0.052001 0.006268 5C 3s 0.024929 -0.031976 -0.079049 -0.010569 0.073069 -0.027334 5C 4s 0.116949 -0.299881 -0.152271 -0.088672 0.273729 0.089596 5C 5s 0.536541 -2.262204 -0.679824 -0.556857 2.839716 -2.256790 5C 1pz -0.051556 0.037375 0.005144 0.040668 -0.023136 -0.023661 5C 1px -0.022197 0.029732 -0.008831 0.009253 -0.029426 0.015094 5C 1py 0.040589 -0.070411 0.001813 -0.000284 0.018797 0.013354 5C 2pz -0.123794 0.089522 0.052498 0.065454 -0.003726 -0.119985 5C 2px -0.081313 0.048202 -0.109338 0.061329 -0.017412 0.112963 5C 2py 0.131211 -0.176621 -0.034289 0.007852 -0.013322 0.082427 5C 3pz -0.405634 1.157343 0.392013 0.048831 -0.504590 -0.126191 5C 3px -0.255608 0.695577 -0.118508 0.140287 -0.458246 0.550404 5C 3py 0.708128 -1.867028 -0.566733 -0.323931 0.871342 -0.064701 5C 1dz2 -0.002165 0.000283 -0.003519 0.001965 0.006981 -0.005254 5C 1dxz -0.000905 0.000557 -0.001986 0.000895 0.004870 -0.006833 5C 1dyz -0.004692 -0.000840 -0.002788 -0.001070 0.012828 -0.007651 5C 1dx2y2 0.001585 -0.002234 0.004252 0.001233 -0.002945 0.002766 5C 1dxy -0.000733 0.000071 0.000246 -0.000094 0.000576 0.000667 5C 2dz2 0.000532 0.001084 -0.001612 -0.004792 -0.003452 0.000540 5C 2dxz 0.004553 -0.028697 -0.030854 0.000150 0.010611 0.032795 5C 2dyz -0.011917 0.025143 -0.047401 0.018208 0.007602 0.008799 5C 2dx2y2 -0.027686 0.045944 -0.005811 0.008874 -0.020194 0.013350 5C 2dxy -0.006337 0.038185 0.041970 -0.002545 -0.016865 -0.048286 5C 1f0 0.001471 -0.003630 -0.002309 -0.001402 0.003104 0.001679 5C 1f+1 0.001551 0.000632 0.001244 -0.002355 0.001643 -0.001298 5C 1f-1 -0.000526 -0.000271 -0.000922 0.000193 -0.000837 0.001952 5C 1f+2 -0.000061 -0.004297 -0.000869 0.001369 0.001948 -0.001224 5C 1f-2 0.001946 -0.003261 0.003039 -0.001893 -0.000554 -0.002656 5C 1f+3 -0.001437 0.003998 -0.000041 0.000896 -0.000239 0.000604 5C 1f-3 0.001941 -0.002007 -0.001313 -0.001416 -0.000887 0.001313 6C 1s 0.008427 0.017269 0.019280 -0.006311 0.021579 0.001911 6C 2s 0.018192 0.037936 0.043201 -0.014005 0.048691 0.005999 6C 3s -0.024718 -0.034386 -0.083465 0.017560 -0.066917 -0.027373 6C 4s -0.127337 -0.302561 -0.166280 0.102148 -0.258682 0.094256 6C 5s -0.607739 -2.324898 -0.859282 0.616857 -2.786311 -2.265986 6C 1pz -0.053323 -0.035100 -0.004467 0.042131 -0.022608 0.024446 6C 1px -0.023561 -0.029332 0.006551 0.008736 -0.030313 -0.017220 6C 1py 0.043201 0.073768 0.000232 0.000447 0.019171 -0.013198 6C 2pz -0.126690 -0.086723 -0.049151 0.072617 0.000167 0.121114 6C 2px -0.086221 -0.044678 0.110958 0.051867 -0.025406 -0.115163 6C 2py 0.136586 0.182116 0.035960 0.006234 -0.015129 -0.081617 6C 3pz -0.446299 -1.171807 -0.431656 0.086777 -0.475003 0.132277 6C 3px -0.289043 -0.701759 0.089495 0.132062 -0.468349 -0.579230 6C 3py 0.775755 1.893326 0.614743 -0.382967 0.829152 0.060924 6C 1dz2 0.002267 0.000046 -0.004124 -0.001711 -0.006676 -0.005190 6C 1dxz 0.000980 0.000500 -0.002405 -0.000739 -0.004716 -0.006927 6C 1dyz 0.004728 -0.001081 -0.003564 0.001330 -0.012599 -0.007705 6C 1dx2y2 -0.001722 -0.002117 0.004276 -0.001626 0.002575 0.002662 6C 1dxy 0.000717 0.000008 0.000241 0.000082 -0.000575 0.000821 6C 2dz2 -0.000738 0.000547 -0.000787 0.004910 0.003582 0.001114 6C 2dxz -0.005003 -0.029768 -0.031505 0.002868 -0.008521 0.032947 6C 2dyz 0.013880 0.024490 -0.048743 -0.013869 -0.004111 0.008675 6C 2dx2y2 0.030019 0.045177 -0.004952 -0.008665 0.020070 0.012305 6C 2dxy 0.006574 0.038584 0.043448 -0.001482 0.014105 -0.048150 6C 1f0 0.001569 0.003591 0.002412 -0.001655 0.002938 -0.001692 6C 1f+1 0.001586 -0.000791 -0.001314 -0.002275 0.001713 0.001273 6C 1f-1 -0.000545 0.000391 0.000867 0.000127 -0.000884 -0.001918 6C 1f+2 0.000076 0.004477 0.001140 0.001307 0.001871 0.001246 6C 1f-2 0.002168 0.003207 -0.003171 -0.001614 -0.000342 0.002653 6C 1f+3 -0.001569 -0.003941 0.000049 0.000859 -0.000240 -0.000581 6C 1f-3 0.001999 0.001867 0.001187 -0.001552 -0.000989 -0.001198 7C 1s 0.013868 -0.017376 0.021550 0.024667 0.003768 -0.000086 7C 2s 0.030550 -0.038101 0.048070 0.055526 0.008421 0.001620 7C 3s -0.050076 0.027556 -0.081902 -0.078167 -0.011131 -0.033871 7C 4s -0.149632 0.339100 -0.237577 -0.298882 -0.053434 0.200005 7C 5s -1.121955 2.519156 -1.108180 -2.974790 -0.475643 -2.178309 7C 1pz -0.098451 0.085226 -0.005697 -0.033503 0.003721 0.026528 7C 1px -0.018840 0.016889 -0.019283 -0.018150 -0.007231 0.025528 7C 1py -0.007120 0.047601 -0.020312 -0.040263 -0.049233 -0.011402 7C 2pz -0.232276 0.207714 -0.010974 -0.029840 0.014009 -0.000385 7C 2px -0.035106 0.002804 -0.074931 0.015835 -0.037330 0.302296 7C 2py -0.063442 0.097173 -0.049115 -0.025409 -0.097840 0.031216 7C 3pz -1.004700 1.892494 -0.685512 -0.972225 -0.268273 -0.510830 7C 3px -0.075862 0.207013 -0.429220 -0.250099 -0.190636 0.490591 7C 3py -0.580289 1.245542 -0.555365 -0.691954 -0.086464 0.022429 7C 1dz2 -0.000406 -0.002244 0.000410 0.002778 -0.001094 -0.002072 7C 1dxz 0.001298 -0.001021 -0.005101 -0.005372 -0.002043 -0.002146 7C 1dyz -0.002927 -0.001390 0.002261 0.010376 0.000905 0.006597 7C 1dx2y2 -0.000651 0.001381 0.003921 0.007586 -0.001366 0.007123 7C 1dxy 0.000175 0.000406 0.001200 0.005111 -0.001759 0.004837 7C 2dz2 -0.004893 0.029945 -0.009330 -0.007614 -0.005441 0.057396 7C 2dxz -0.004502 0.036362 -0.005148 -0.029513 0.014406 -0.101571 7C 2dyz -0.008530 0.042103 0.011402 -0.003240 -0.009554 0.021715 7C 2dx2y2 0.018993 -0.024630 0.018624 0.011891 -0.001227 -0.006741 7C 2dxy 0.001023 0.012144 0.027997 -0.004721 0.007333 -0.080202 7C 1f0 0.001252 0.001684 -0.000122 -0.000554 -0.001355 -0.001795 7C 1f+1 0.000285 0.002192 -0.000974 0.001489 -0.002017 0.003445 7C 1f-1 -0.002344 0.006976 -0.001126 -0.003455 -0.000116 -0.004098 7C 1f+2 0.001713 -0.003360 0.000939 -0.000780 0.001424 -0.004509 7C 1f-2 -0.000936 0.001820 -0.002371 -0.000938 0.000370 0.006315 7C 1f+3 0.001367 0.000806 -0.000196 -0.000744 -0.001923 -0.003390 7C 1f-3 -0.002105 0.001999 0.000956 0.001446 0.002502 -0.003537 8C 1s -0.003794 -0.003363 0.000186 0.000017 -0.001235 -0.000936 8C 2s -0.008864 -0.007721 0.000525 0.000184 -0.002620 -0.001823 8C 3s 0.032381 0.007265 -0.010251 -0.000719 -0.019846 -0.005810 8C 4s -0.123654 -0.035509 0.015265 0.031740 0.087273 0.043455 8C 5s 1.722008 3.310449 0.491204 -0.611743 1.185485 0.840719 8C 1pz 0.014268 -0.004692 -0.000384 -0.016326 -0.002682 0.038563 8C 1px -0.000593 -0.027297 -0.029937 0.014915 -0.045587 -0.013622 8C 1py -0.000652 0.031181 0.055697 -0.021963 0.112317 0.041507 8C 2pz -0.015784 -0.064841 -0.023782 0.011917 -0.045340 0.023080 8C 2px -0.015446 -0.051616 -0.012285 0.017290 -0.053444 -0.017419 8C 2py 0.014125 0.115301 0.047182 -0.022866 0.133735 0.055095 8C 3pz -0.277562 -0.916069 -0.312036 -0.021258 -0.545682 -0.384413 8C 3px -0.319466 -0.652521 -0.228366 0.211866 -0.436401 0.007796 8C 3py 0.857315 1.595479 0.667812 -0.529110 1.271358 0.132322 8C 1dz2 0.003015 0.002336 0.001376 -0.001770 0.001239 -0.004241 8C 1dxz -0.003429 -0.004683 -0.004736 0.001546 -0.002883 0.002645 8C 1dyz 0.010544 0.013060 0.005210 -0.006964 0.011703 -0.000714 8C 1dx2y2 0.005124 0.010289 0.003649 -0.000380 0.006687 0.002729 8C 1dxy 0.005080 0.008279 0.004678 -0.000933 0.003751 -0.002929 8C 2dz2 0.000569 -0.010128 0.000205 -0.003593 0.004645 0.003443 8C 2dxz 0.017644 0.028166 0.006807 -0.005734 0.001475 -0.005842 8C 2dyz -0.038675 -0.031604 0.021762 0.004897 0.022580 0.045770 8C 2dx2y2 -0.020642 -0.039392 -0.003699 0.007873 -0.006942 -0.013728 8C 2dxy -0.022165 -0.034640 -0.005565 0.007774 -0.010972 -0.016640 8C 1f0 0.003087 0.004326 0.001557 -0.001252 0.001969 0.002927 8C 1f+1 -0.000179 0.001192 0.002184 -0.000673 0.001607 0.002577 8C 1f-1 0.003171 0.000880 -0.001543 0.000092 -0.003274 -0.004191 8C 1f+2 -0.002344 0.001386 0.002873 -0.000522 0.004963 0.001147 8C 1f-2 -0.000278 0.001349 0.000086 -0.000099 0.002540 0.000054 8C 1f+3 -0.002472 -0.003492 0.000295 0.000499 0.000824 0.003042 8C 1f-3 0.001904 0.000641 -0.002429 -0.000287 -0.002999 -0.004385 9C 1s -0.005950 0.004825 -0.000641 -0.002583 -0.000205 -0.000786 9C 2s -0.013773 0.011113 -0.001380 -0.005578 -0.000635 -0.001298 9C 3s 0.044937 -0.017030 -0.004081 -0.013940 0.005562 -0.013106 9C 4s -0.153075 0.049747 -0.011968 0.082739 -0.051050 0.088728 9C 5s 2.118631 -3.466598 0.932381 1.441598 0.552774 0.887378 9C 1pz 0.012809 0.028804 -0.041826 -0.098116 -0.018236 -0.023170 9C 1px 0.034223 0.020954 -0.051550 -0.061639 -0.012523 -0.059543 9C 1py -0.056154 0.019916 -0.024283 -0.041461 0.016222 0.020036 9C 2pz -0.023860 0.125204 -0.042146 -0.129539 -0.008808 -0.056186 9C 2px 0.011110 0.026644 -0.037338 -0.049401 -0.014274 -0.009369 9C 2py -0.024948 0.080683 -0.039591 -0.078119 -0.008030 -0.005105 9C 3pz -0.834975 1.577953 -0.856856 -1.427517 -0.431900 -0.324327 9C 3px -0.040156 0.393363 -0.256517 -0.291437 -0.203351 0.072748 9C 3py -1.117993 1.142093 -0.514153 -0.808752 0.005746 -0.015457 9C 1dz2 -0.009080 0.009904 -0.007132 -0.008944 -0.002338 0.003191 9C 1dxz -0.009600 0.005758 0.001047 -0.002195 0.003253 -0.002648 9C 1dyz -0.013727 0.015715 -0.010602 -0.013408 -0.005100 0.004608 9C 1dx2y2 0.003477 -0.005065 0.002026 0.005363 0.001273 0.004963 9C 1dxy 0.000211 0.002648 -0.000095 -0.002395 -0.002733 -0.002459 9C 2dz2 0.028663 -0.034054 -0.002439 -0.004890 -0.001226 -0.012909 9C 2dxz -0.004806 -0.031140 0.017079 0.021981 0.007168 0.039931 9C 2dyz 0.040089 -0.048255 -0.004855 -0.007229 0.010730 -0.033680 9C 2dx2y2 -0.007370 0.024334 -0.005280 -0.006423 -0.000530 -0.021267 9C 2dxy 0.025484 -0.010715 0.002169 -0.002762 -0.003714 -0.010483 9C 1f0 0.000872 -0.000365 0.000510 0.000153 -0.000393 0.001794 9C 1f+1 -0.003204 0.001417 0.000470 0.001603 -0.000459 0.004553 9C 1f-1 -0.002733 0.005344 -0.001928 -0.003352 -0.000257 -0.002118 9C 1f+2 -0.000558 -0.000415 -0.000349 0.001129 -0.000042 -0.003089 9C 1f-2 0.003199 0.000786 -0.002711 -0.005157 -0.000158 -0.003548 9C 1f+3 -0.002600 0.003450 -0.000549 0.001102 -0.001442 0.001680 9C 1f-3 -0.002801 0.000337 0.002016 0.003526 -0.000201 0.006527 10H 1s -0.019497 -0.016693 -0.001765 -0.014349 0.005244 0.016685 10H 2s -0.066230 -0.096770 0.039856 -0.092906 0.026105 0.229891 10H 3s -0.144933 0.119650 -0.093863 -0.239102 0.122067 -0.198603 10H 1pz -0.006074 -0.013649 0.009776 -0.013477 -0.005399 0.012897 10H 1px -0.002502 0.002076 -0.000167 -0.004621 -0.002159 -0.016654 10H 1py -0.010022 -0.009335 0.006506 -0.008592 0.000137 0.002967 11H 1s -0.002331 -0.015884 0.013806 -0.023830 -0.016749 -0.001272 11H 2s -0.098396 -0.017835 -0.016062 0.050528 -0.048778 -0.169946 11H 3s 0.822688 -0.048991 0.442307 -0.830996 -0.424109 0.422432 11H 1pz -0.020739 -0.007411 -0.003023 0.004607 0.001106 -0.012180 11H 1px -0.014947 0.001302 -0.005083 0.014102 0.002349 -0.020867 11H 1py 0.001313 -0.008167 0.008171 -0.016054 -0.003274 0.004687 12H 1s -0.018384 -0.016169 0.014782 -0.018830 -0.002854 -0.015807 12H 2s -0.060880 -0.049835 0.032494 -0.008919 -0.031351 -0.158069 12H 3s -0.359015 -0.051015 0.298296 -0.402643 0.212631 -0.176030 12H 1pz -0.011039 -0.011089 0.006222 -0.013355 -0.002345 0.002179 12H 1px 0.002863 -0.000187 -0.000568 0.003366 -0.005753 -0.009058 12H 1py -0.004608 -0.006375 -0.001800 0.003095 -0.004130 -0.005700 13H 1s -0.005391 0.013260 0.013394 -0.002071 -0.007601 -0.008619 13H 2s -0.047250 0.087825 0.115291 -0.001376 -0.043260 0.019094 13H 3s 0.255570 -0.143471 0.110013 -0.206349 -0.206597 -0.135772 13H 1pz -0.005864 0.010703 0.006156 0.000967 -0.003659 0.008495 13H 1px 0.001948 0.001313 -0.000391 -0.001119 -0.007290 -0.000652 13H 1py 0.008960 -0.013123 -0.007809 -0.005248 0.011305 -0.002969 14H 1s -0.006582 0.017796 0.001902 0.001609 -0.017918 0.010425 14H 2s -0.056651 0.052898 -0.024608 0.006490 -0.032816 0.075533 14H 3s 0.231696 0.064346 0.158767 -0.071958 -0.312229 -0.004177 14H 1pz -0.004864 0.005919 0.001198 -0.000971 -0.001036 0.005861 14H 1px -0.008516 0.002024 -0.004761 0.003130 0.003084 0.002607 14H 1py 0.006199 -0.010274 -0.006516 -0.003892 0.010143 0.003103 15H 1s -0.011876 0.017824 0.009152 0.014043 -0.024046 -0.001646 15H 2s -0.080801 0.018286 -0.058724 0.041728 0.071511 -0.188283 15H 3s -0.043713 0.146326 0.464635 0.383344 -0.947657 0.206960 15H 1pz -0.000260 0.008916 0.011636 0.003605 -0.020679 0.010542 15H 1px -0.003136 0.002200 -0.003392 0.000476 0.002556 -0.004565 15H 1py 0.008835 -0.005168 0.006486 0.001313 -0.012570 0.017174 16H 1s 0.015722 0.001847 0.010994 -0.016918 -0.001266 0.009737 16H 2s 0.060824 -0.013435 -0.026492 -0.063647 -0.021309 0.074877 16H 3s 0.264394 0.120501 0.427312 -0.191883 0.046725 -0.096863 16H 1pz -0.004942 -0.003816 -0.014414 0.001334 -0.002404 0.005623 16H 1px 0.002873 0.000669 0.001783 -0.004215 -0.000783 0.001899 16H 1py -0.002542 -0.001575 -0.005302 0.000466 -0.000591 0.002157 17H 1s -0.017512 -0.000869 0.010278 0.007505 0.021507 -0.005511 17H 2s -0.056987 -0.000433 -0.026099 0.027129 0.062262 -0.007498 17H 3s -0.311998 -0.037532 0.405580 0.108675 0.307928 -0.275599 17H 1pz -0.002612 -0.000559 0.008294 0.000329 0.000791 -0.003396 17H 1px -0.006928 -0.000851 0.010041 0.002816 0.007271 -0.003918 17H 1py 0.004063 0.000433 -0.006720 -0.001156 -0.002743 0.003696 18H 1s 0.017431 -0.001166 0.008462 -0.008757 -0.022040 -0.005769 18H 2s 0.057531 -0.002179 -0.029993 -0.025923 -0.058813 -0.006942 18H 3s 0.304566 -0.038090 0.375796 -0.148491 -0.336979 -0.280788 18H 1pz -0.002589 0.000535 -0.008226 0.001086 0.001569 0.003620 18H 1px -0.006813 0.000912 -0.009260 0.003821 0.008033 0.004143 18H 1py 0.003854 -0.000356 0.006123 -0.001731 -0.003149 -0.003739 19H 1s -0.015588 0.003148 0.011923 0.016100 -0.000129 0.009516 19H 2s -0.060547 -0.009323 -0.020670 0.067060 0.021292 0.075472 19H 3s -0.263359 0.142882 0.428081 0.155587 -0.084971 -0.101314 19H 1pz -0.004795 0.004156 0.013900 0.000021 -0.003567 -0.005882 19H 1px 0.002865 -0.000984 -0.002181 -0.004060 -0.000490 -0.001816 19H 1py -0.002601 0.001873 0.005450 -0.000040 -0.001111 -0.002383 20H 1s 0.012534 0.017397 0.009904 -0.015180 0.023287 -0.001519 20H 2s 0.083884 0.018928 -0.066185 -0.037868 -0.066214 -0.186860 20H 3s 0.044365 0.104903 0.501044 -0.436905 0.903941 0.197776 20H 1pz -0.000360 -0.008678 -0.012856 0.004704 -0.019659 -0.010388 20H 1px -0.003301 -0.002306 0.003659 0.000052 0.002440 0.004853 20H 1py 0.009220 0.005980 -0.007081 0.001923 -0.011863 -0.016922 21H 1s 0.007102 0.018340 0.003382 -0.001535 0.017802 0.010416 21H 2s 0.058929 0.050089 -0.022041 -0.003080 0.032921 0.072819 21H 3s -0.240445 0.097958 0.185447 0.069604 0.303286 -0.013949 21H 1pz -0.005151 -0.005933 -0.001326 -0.000869 -0.000789 -0.005880 21H 1px -0.008814 -0.001179 0.005169 0.002860 0.002882 -0.002374 21H 1py 0.006464 0.010556 0.007013 -0.004486 0.009612 -0.003266 22H 1s 0.005734 0.014401 0.014148 0.000849 0.006495 -0.008777 22H 2s 0.047959 0.091319 0.119554 -0.009121 0.035249 0.020080 22H 3s -0.259772 -0.109422 0.135964 0.197484 0.194818 -0.120974 22H 1pz -0.006007 -0.010789 -0.006469 0.001421 -0.003322 -0.008479 22H 1px 0.001850 -0.001786 -0.000160 -0.001218 -0.007235 0.000640 22H 1py 0.009344 0.013116 0.008408 -0.006063 0.010748 0.003182 23H 1s 0.017300 -0.017553 0.016847 0.017457 0.001685 -0.015880 23H 2s 0.058974 -0.056422 0.034259 0.002975 0.028103 -0.162950 23H 3s 0.344723 -0.060216 0.325445 0.376638 -0.233079 -0.187891 23H 1pz -0.010263 0.011685 -0.007748 -0.012849 -0.001869 -0.002052 23H 1px 0.002727 0.000333 0.000460 0.003305 -0.005685 0.009341 23H 1py -0.004428 0.006959 0.001910 0.003224 -0.004293 0.006074 24H 1s 0.001276 -0.016294 0.017209 0.022625 0.015630 -0.001530 24H 2s 0.095743 -0.026344 -0.012472 -0.047517 0.051175 -0.169568 24H 3s -0.824355 0.001746 0.526150 0.786256 0.381276 0.406104 24H 1pz -0.020089 0.008811 0.002881 0.004075 0.000678 0.011724 24H 1px -0.015073 -0.000200 0.006193 0.013781 0.001858 0.021048 24H 1py 0.001507 0.008055 -0.009589 -0.015046 -0.002522 -0.004080 25H 1s 0.018590 -0.017401 -0.000536 0.014507 -0.004986 0.016676 25H 2s 0.061100 -0.099939 0.047034 0.090883 -0.028773 0.232586 25H 3s 0.143672 0.133843 -0.079913 0.242400 -0.112157 -0.178605 25H 1pz -0.005255 0.014297 -0.011442 -0.012761 -0.004607 -0.013211 25H 1px -0.002356 -0.002210 -0.000435 -0.004448 -0.002208 0.016603 25H 1py -0.009459 0.009963 -0.007366 -0.008085 0.000582 -0.002741 26O 1s -0.003294 0.000374 0.000797 0.012726 -0.004620 -0.008873 26O 2s -0.008424 0.000317 0.002090 0.031570 -0.011483 -0.022699 26O 3s 0.020598 0.010354 -0.005785 -0.059478 0.021916 0.049335 26O 4s -0.019972 -0.063351 0.011791 -0.045837 0.015331 -0.011993 26O 5s 0.293129 0.254074 -0.253553 -0.462951 0.208608 1.030947 26O 1pz 0.011411 0.004290 -0.032414 -0.024287 0.025102 -0.032568 26O 1px 0.000410 0.012975 -0.014490 0.049077 0.025382 0.002984 26O 1py 0.022982 0.009496 -0.018692 0.010848 -0.039159 -0.038815 26O 2pz 0.006349 -0.012862 -0.018798 -0.035648 0.022623 -0.009949 26O 2px 0.007555 0.023934 -0.010067 0.056472 0.017835 -0.037603 26O 2py 0.019696 0.003589 -0.007574 0.007712 -0.040527 -0.041685 26O 3pz 0.104022 0.191252 -0.100038 0.029914 0.040641 -0.186358 26O 3px -0.161284 -0.064650 0.107449 0.131980 -0.038305 -0.399925 26O 3py -0.005374 0.093270 -0.016526 0.076368 -0.045772 -0.279512 26O 1dz2 0.000190 -0.000341 0.001506 -0.000540 -0.000361 0.001226 26O 1dxz 0.002278 0.001790 -0.000510 0.000768 -0.000713 0.000049 26O 1dyz 0.000193 0.000191 0.001084 0.000016 -0.000059 0.000992 26O 1dx2y2 -0.000429 -0.000546 0.000118 0.000195 -0.001503 -0.002392 26O 1dxy -0.000357 0.000674 -0.000587 0.000951 0.000324 -0.001762 26O 2dz2 -0.003245 0.001102 0.008809 -0.002279 -0.003915 -0.012331 26O 2dxz 0.003298 0.002047 -0.002916 0.003403 -0.001783 -0.000062 26O 2dyz 0.003790 0.001250 0.005072 -0.009404 0.001653 0.006727 26O 2dx2y2 0.007776 -0.002227 -0.007121 -0.006222 0.001264 0.022764 26O 2dxy 0.008271 -0.000575 -0.008391 -0.005411 0.004635 0.022534 26O 1f0 0.000566 0.000523 0.000286 0.000203 -0.000069 0.000324 26O 1f+1 0.000211 -0.000560 -0.000826 -0.000552 0.000215 0.000697 26O 1f-1 0.000269 -0.000091 -0.000149 -0.000347 0.000270 0.000355 26O 1f+2 -0.000349 -0.000529 -0.000074 -0.000550 0.000029 0.000332 26O 1f-2 -0.000462 -0.000491 -0.000735 0.000021 0.000147 -0.000592 26O 1f+3 0.000064 -0.000760 -0.000547 -0.000805 -0.000312 0.000561 26O 1f-3 0.000454 -0.000435 -0.000384 -0.000808 0.000322 0.001400 27O 1s -0.005191 0.002040 -0.007807 -0.000753 0.011172 0.005471 27O 2s -0.013082 0.005608 -0.019788 -0.001759 0.027678 0.013653 27O 3s 0.028061 -0.020367 0.041821 0.001977 -0.051922 -0.026266 27O 4s -0.006410 0.051026 0.005487 0.013390 -0.039187 -0.019632 27O 5s 0.394012 -0.418353 0.418821 -0.083998 -0.414495 -0.206938 27O 1pz -0.004355 -0.006018 -0.023393 0.043330 -0.016751 -0.027390 27O 1px -0.006177 -0.015628 -0.001890 0.005749 0.052425 -0.051107 27O 1py -0.021185 0.015419 0.052520 0.021029 0.020843 -0.011953 27O 2pz -0.004574 0.006689 -0.011024 0.040262 -0.018929 -0.028455 27O 2px -0.007799 -0.018830 -0.027174 0.009024 0.052928 -0.013518 27O 2py -0.015569 -0.001001 0.043710 0.021828 0.028207 -0.039437 27O 3pz 0.055675 -0.141752 -0.059343 0.034919 -0.015648 -0.076716 27O 3px -0.173548 0.105992 -0.074559 0.056407 0.153237 -0.155971 27O 3py -0.040763 0.168671 0.115657 0.008575 -0.022365 0.162102 27O 1dz2 0.000616 -0.000175 0.000871 -0.000353 -0.000584 0.000083 27O 1dxz 0.001337 -0.001073 -0.000051 -0.001282 0.000272 0.000994 27O 1dyz 0.000086 -0.000781 -0.001086 0.000449 0.000164 -0.001613 27O 1dx2y2 -0.000596 -0.000003 -0.002791 -0.000389 0.000881 0.000423 27O 1dxy -0.000417 0.001291 0.000527 -0.000182 -0.000429 -0.000216 27O 2dz2 -0.006013 0.001785 -0.001463 0.000841 0.005963 -0.004520 27O 2dxz -0.000255 -0.001091 -0.003254 -0.002742 0.001935 0.003537 27O 2dyz -0.005035 0.000306 -0.006962 0.002121 0.009999 -0.004858 27O 2dx2y2 0.008011 -0.002114 -0.001117 -0.004898 -0.001812 -0.004457 27O 2dxy -0.006777 0.002671 -0.000305 0.001382 0.002712 -0.000898 27O 1f0 -0.000042 -0.000353 0.000046 -0.000364 0.000637 0.000313 27O 1f+1 0.000482 0.000199 0.000082 -0.000226 -0.000764 0.000284 27O 1f-1 -0.000260 0.000152 -0.000221 0.000014 0.000139 -0.000069 27O 1f+2 -0.000134 0.000499 -0.000201 0.000341 -0.000374 -0.000252 27O 1f-2 0.000116 0.000021 0.000394 -0.000181 -0.000372 0.001022 27O 1f+3 0.000478 0.000495 -0.000332 -0.000262 -0.000944 -0.000621 27O 1f-3 -0.000586 0.000481 -0.000356 0.000049 -0.000031 -0.000414 28O 1s -0.006664 -0.002090 -0.006366 0.015202 0.004348 0.008860 28O 2s -0.016899 -0.005945 -0.016143 0.037763 0.010769 0.021811 28O 3s 0.038309 0.023652 0.034356 -0.072793 -0.019142 -0.034964 28O 4s -0.020208 -0.067670 0.004185 -0.045201 -0.025869 -0.062518 28O 5s 0.492335 0.529246 0.263532 -0.498634 -0.151937 -0.551378 28O 1pz 0.013983 0.013731 -0.039595 0.009599 0.026994 -0.032237 28O 1px -0.002565 -0.023222 -0.010058 -0.061013 0.022290 0.050761 28O 1py 0.003605 0.000665 -0.046633 -0.002509 -0.026733 0.009671 28O 2pz 0.011699 -0.000753 -0.039641 0.002773 0.032557 0.029428 28O 2px -0.002906 -0.022291 0.008294 -0.061992 0.007106 -0.006276 28O 2py -0.002704 -0.008497 -0.042428 -0.005120 -0.023915 0.018798 28O 3pz -0.057317 0.056489 -0.100410 0.070984 0.051848 -0.139512 28O 3px 0.188783 0.174694 -0.041588 -0.078039 0.029690 -0.085529 28O 3py 0.041764 0.103770 -0.077736 0.015628 -0.024040 -0.075542 28O 1dz2 0.001389 0.001232 -0.000631 0.001272 -0.000490 0.001293 28O 1dxz 0.000481 -0.000191 0.002119 -0.001294 -0.000712 -0.000960 28O 1dyz -0.000601 0.000054 0.000973 0.000720 0.001028 0.000896 28O 1dx2y2 -0.001305 -0.001335 -0.000963 -0.000150 -0.000324 0.001447 28O 1dxy -0.000429 -0.001128 0.000925 -0.000949 -0.001063 0.001329 28O 2dz2 0.007632 0.003134 0.000203 -0.002768 -0.003094 0.004829 28O 2dxz -0.009811 -0.005318 0.006679 -0.004179 0.000189 0.016495 28O 2dyz 0.003322 0.002940 0.004028 -0.008652 0.003245 0.001964 28O 2dx2y2 0.007724 0.001662 -0.000279 -0.001803 -0.003465 -0.012992 28O 2dxy -0.000092 -0.001229 0.003906 -0.006498 -0.002171 0.004456 28O 1f0 -0.000070 -0.000410 -0.000292 -0.000418 0.000139 -0.001164 28O 1f+1 0.000847 0.000583 0.000242 0.000238 -0.000223 0.000158 28O 1f-1 0.000023 -0.000149 -0.000152 -0.000293 -0.000258 -0.001094 28O 1f+2 -0.000635 0.000361 0.000271 0.000889 0.000230 0.001014 28O 1f-2 0.000332 0.000414 0.000405 -0.000169 0.000443 0.000483 28O 1f+3 -0.000071 0.000588 0.000170 0.000673 0.000106 0.000695 28O 1f-3 0.000047 0.000323 -0.000163 0.000557 0.000322 -0.000323 29O 1s 0.000512 -0.000171 -0.002447 -0.002537 0.002092 0.003026 29O 2s 0.001186 -0.000358 -0.004994 -0.006303 0.005426 0.006833 29O 3s -0.000848 -0.000542 -0.008039 0.012220 -0.014580 -0.003095 29O 4s -0.008013 0.004755 0.085866 0.005914 0.014011 -0.051724 29O 5s -0.002000 -0.002723 -0.154060 0.091669 -0.133071 0.010131 29O 1pz 0.043834 0.015905 0.038540 -0.013909 0.000642 0.007834 29O 1px 0.025038 0.000405 -0.082688 -0.004305 -0.042580 0.017546 29O 1py -0.002978 0.004187 0.046802 0.017177 -0.007942 -0.050483 29O 2pz 0.032781 0.010227 0.028154 -0.010619 0.002938 0.015856 29O 2px 0.017609 0.002313 -0.055007 0.002046 -0.037507 0.004166 29O 2py -0.000493 0.003195 0.033486 0.019080 -0.016230 -0.050904 29O 3pz 0.137581 0.020250 0.065992 -0.071250 -0.047193 0.028129 29O 3px 0.075038 -0.010845 -0.174912 -0.053048 -0.070539 0.094042 29O 3py -0.013974 -0.001578 0.041227 -0.010053 0.046164 -0.002083 29O 1dz2 0.000644 -0.000086 0.000868 -0.000863 -0.000413 0.000305 29O 1dxz -0.000796 0.000064 0.001064 0.000948 0.001172 -0.000502 29O 1dyz 0.001046 -0.000256 -0.000379 -0.001098 -0.000756 0.001035 29O 1dx2y2 -0.000061 0.000040 -0.000767 0.000207 0.000020 -0.000401 29O 1dxy 0.000552 -0.000037 0.000616 0.000088 -0.000830 -0.000538 29O 2dz2 0.003492 0.001413 0.007342 -0.003366 0.000406 -0.000617 29O 2dxz -0.005543 -0.000231 0.005309 0.004455 0.005870 -0.002281 29O 2dyz 0.002598 0.001274 -0.000619 -0.002202 0.000009 0.001286 29O 2dx2y2 -0.001752 -0.000195 0.000092 0.001141 0.000967 -0.002498 29O 2dxy 0.002161 0.000649 -0.000740 0.002257 -0.006233 -0.003549 29O 1f0 0.000329 -0.000031 -0.000573 -0.000198 -0.000083 0.000508 29O 1f+1 0.000102 0.000084 0.000110 0.000134 -0.000112 -0.000147 29O 1f-1 -0.000072 -0.000212 -0.001068 0.000186 -0.000350 0.000243 29O 1f+2 0.000347 0.000098 0.000234 -0.000219 -0.000182 0.000021 29O 1f-2 0.000255 0.000008 -0.000848 -0.000103 -0.000491 0.000053 29O 1f+3 -0.000227 -0.000045 0.000266 -0.000050 0.000390 0.000281 29O 1f-3 -0.000017 -0.000025 -0.000230 0.000054 -0.000189 -0.000019 30O 1s -0.005822 0.001469 0.000750 -0.000796 0.018223 -0.007193 30O 2s -0.014701 0.004181 0.001776 -0.002003 0.045337 -0.018530 30O 3s 0.032537 -0.017133 -0.001000 0.003619 -0.088395 0.043267 30O 4s -0.010240 0.052859 -0.008546 0.000151 -0.047988 -0.032802 30O 5s 0.366417 -0.463248 -0.305048 0.102640 -0.664959 0.896123 30O 1pz -0.000979 -0.020190 -0.034315 0.030371 0.019500 -0.018784 30O 1px 0.017108 0.005564 0.004588 0.003287 -0.052069 -0.000338 30O 1py -0.022812 0.019694 0.029325 0.033736 0.000419 0.043149 30O 2pz 0.002088 -0.011873 -0.019260 0.024616 0.017868 -0.020392 30O 2px 0.012490 0.012463 -0.007795 0.010608 -0.059777 0.019692 30O 2py -0.017250 0.005267 0.007443 0.034431 0.004686 0.045164 30O 3pz -0.044307 -0.019774 0.017041 0.016622 0.069406 -0.210376 30O 3px 0.145333 -0.223101 -0.155514 0.024013 -0.098496 0.219880 30O 3py -0.004493 0.087661 0.016506 0.058444 -0.063177 0.289761 30O 1dz2 0.000992 -0.000842 -0.000602 -0.001040 0.000328 -0.000515 30O 1dxz 0.000262 -0.000077 0.000670 0.000285 -0.000665 0.001117 30O 1dyz -0.000040 0.000113 -0.000918 0.000482 -0.001357 0.000629 30O 1dx2y2 -0.000477 0.001585 0.000425 -0.000592 -0.000959 -0.001403 30O 1dxy -0.000101 -0.000845 -0.001363 0.000353 0.000847 -0.001834 30O 2dz2 -0.002247 0.000989 0.000937 -0.004464 0.007702 -0.008205 30O 2dxz -0.002913 0.003436 0.012535 -0.001940 0.000326 -0.008875 30O 2dyz -0.009544 0.005153 0.005057 0.000586 0.009868 -0.015147 30O 2dx2y2 0.000509 0.000763 -0.005959 -0.000498 -0.000964 0.004648 30O 2dxy 0.002948 -0.004884 -0.016721 0.002994 0.005015 0.009869 30O 1f0 0.000174 0.000156 -0.000318 0.000201 -0.000417 0.000813 30O 1f+1 0.000058 -0.000301 -0.000050 -0.000424 0.000515 -0.000119 30O 1f-1 0.000219 -0.000103 0.000441 -0.000359 0.000023 0.000191 30O 1f+2 0.000072 -0.000539 0.001087 -0.000121 0.000817 0.000011 30O 1f-2 -0.000586 0.000161 0.000362 -0.000158 0.000818 -0.001261 30O 1f+3 0.000299 -0.000600 0.000336 0.000056 0.000268 0.000171 30O 1f-3 -0.000162 -0.000297 0.001195 -0.000331 0.000490 -0.000128 31O 1s 0.005851 0.001439 -0.000443 0.000740 -0.018199 -0.007377 31O 2s 0.014795 0.004116 -0.001188 0.001870 -0.045270 -0.018995 31O 3s -0.033145 -0.017111 0.004739 -0.003568 0.088083 0.044261 31O 4s 0.012675 0.053676 -0.004907 0.000413 0.048467 -0.032712 31O 5s -0.378671 -0.469079 -0.267402 -0.072317 0.683652 0.907369 31O 1pz -0.000876 0.020959 0.038294 0.027037 0.016817 0.018040 31O 1px 0.017217 -0.007457 -0.007687 0.003707 -0.051796 0.000399 31O 1py -0.023205 -0.018885 -0.026503 0.036117 0.002674 -0.043134 31O 2pz 0.002320 0.012092 0.022813 0.022599 0.016280 0.019785 31O 2px 0.011927 -0.013791 0.004537 0.009848 -0.060210 -0.019817 31O 2py -0.017635 -0.004395 -0.004354 0.034742 0.005423 -0.045176 31O 3pz -0.043199 0.019314 -0.010637 0.018663 0.069842 0.211138 31O 3px 0.151233 0.224493 0.151971 0.008723 -0.108859 -0.218110 31O 3py -0.007453 -0.086011 -0.016727 0.059254 -0.061891 -0.292321 31O 1dz2 -0.001016 -0.000801 -0.000552 0.001107 -0.000289 -0.000558 31O 1dxz -0.000263 -0.000106 0.000688 -0.000355 0.000593 0.001121 31O 1dyz 0.000060 0.000097 -0.000844 -0.000400 0.001423 0.000693 31O 1dx2y2 0.000519 0.001661 0.000563 0.000547 0.000943 -0.001339 31O 1dxy 0.000093 -0.000882 -0.001456 -0.000247 -0.000738 -0.001876 31O 2dz2 0.002210 0.001204 0.000753 0.004433 -0.007728 -0.008215 31O 2dxz 0.002776 0.003797 0.012641 0.000796 -0.001226 -0.008822 31O 2dyz 0.009630 0.005043 0.004425 -0.001088 -0.010135 -0.015086 31O 2dx2y2 -0.000382 0.000817 -0.005818 0.001085 0.001392 0.004640 31O 2dxy -0.002765 -0.005312 -0.017294 -0.001494 -0.003799 0.009778 31O 1f0 0.000161 -0.000148 0.000305 0.000168 -0.000438 -0.000802 31O 1f+1 0.000068 0.000300 0.000058 -0.000429 0.000512 0.000117 31O 1f-1 0.000233 0.000088 -0.000461 -0.000321 0.000058 -0.000186 31O 1f+2 0.000115 0.000546 -0.001028 -0.000025 0.000897 -0.000007 31O 1f-2 -0.000582 -0.000168 -0.000323 -0.000126 0.000838 0.001254 31O 1f+3 0.000329 0.000624 -0.000305 0.000084 0.000295 -0.000175 31O 1f-3 -0.000124 0.000291 -0.001179 -0.000227 0.000579 0.000122 32O 1s -0.000385 0.000051 -0.002348 0.002708 -0.001976 0.003199 32O 2s -0.000890 0.000203 -0.004776 0.006635 -0.005216 0.007253 32O 3s 0.000571 -0.001771 -0.007938 -0.011313 0.015499 -0.003685 32O 4s 0.006110 0.004773 0.083336 -0.013220 -0.020153 -0.053355 32O 5s 0.003183 -0.013121 -0.151303 -0.077512 0.146215 0.007497 32O 1pz 0.043674 -0.017831 -0.036765 -0.011376 0.003913 -0.007917 32O 1px 0.023565 0.000613 0.079195 -0.011853 -0.048912 -0.020906 32O 1py -0.001127 -0.005078 -0.045542 0.020679 -0.004912 0.050039 32O 2pz 0.032675 -0.011644 -0.026655 -0.008973 0.005606 -0.016149 32O 2px 0.016598 -0.001182 0.052642 -0.003044 -0.041755 -0.006906 32O 2py 0.001001 -0.003585 -0.032778 0.021399 -0.014178 0.050097 32O 3pz 0.138015 -0.027070 -0.069383 -0.067147 -0.041242 -0.026661 32O 3px 0.071716 0.009188 0.165187 -0.068762 -0.083065 -0.099871 32O 3py -0.010240 -0.001943 -0.039266 -0.008103 0.047779 0.000588 32O 1dz2 -0.000614 -0.000023 0.000958 0.000755 0.000276 0.000237 32O 1dxz 0.000803 0.000028 0.000895 -0.001069 -0.001244 -0.000541 32O 1dyz -0.001069 -0.000203 -0.000231 0.001167 0.000756 0.001035 32O 1dx2y2 0.000111 0.000033 -0.000779 -0.000167 0.000022 -0.000365 32O 1dxy -0.000536 0.000000 0.000644 -0.000156 0.000743 -0.000571 32O 2dz2 -0.003328 0.001698 0.007425 0.002605 -0.001133 -0.000892 32O 2dxz 0.005555 -0.000461 0.004489 -0.004986 -0.006303 -0.002431 32O 2dyz -0.002521 0.001472 -0.000155 0.002267 -0.000113 0.001158 32O 2dx2y2 0.001799 -0.000333 -0.000033 -0.001180 -0.001005 -0.002300 32O 2dxy -0.002092 0.000502 -0.000358 -0.002219 0.006207 -0.003508 32O 1f0 0.000331 0.000006 0.000484 -0.000258 -0.000100 -0.000501 32O 1f+1 0.000089 -0.000082 -0.000146 0.000151 -0.000082 0.000154 32O 1f-1 -0.000033 0.000225 0.001060 0.000063 -0.000460 -0.000306 32O 1f+2 0.000341 -0.000120 -0.000294 -0.000201 -0.000140 -0.000001 32O 1f-2 0.000265 -0.000014 0.000779 -0.000183 -0.000572 -0.000070 32O 1f+3 -0.000215 0.000051 -0.000225 -0.000028 0.000401 -0.000269 32O 1f-3 -0.000034 0.000043 0.000225 0.000038 -0.000194 -0.000003 33O 1s 0.006701 -0.002633 -0.007904 -0.014533 -0.003814 0.008693 33O 2s 0.016958 -0.007321 -0.019949 -0.036066 -0.009416 0.021392 33O 3s -0.037839 0.026793 0.041385 0.069178 0.016232 -0.034060 33O 4s 0.016531 -0.069580 0.010993 0.044898 0.025638 -0.062402 33O 5s -0.473415 0.569171 0.305125 0.466849 0.131664 -0.544136 33O 1pz 0.012327 -0.015063 0.042281 0.006230 0.024039 0.031551 33O 1px -0.001478 0.021819 0.006438 -0.061940 0.021438 -0.050935 33O 1py 0.003248 -0.001518 0.044178 -0.006861 -0.030445 -0.009649 33O 2pz 0.010648 -0.000653 0.042280 -0.000825 0.029679 -0.030444 33O 2px -0.001425 0.021558 -0.012914 -0.060929 0.007600 0.006287 33O 2py -0.002665 0.007968 0.039968 -0.009154 -0.027167 -0.019090 33O 3pz -0.062296 -0.051294 0.106342 0.061039 0.044694 0.141979 33O 3px 0.179944 -0.191448 0.040661 -0.079642 0.025539 0.087692 33O 3py 0.035749 -0.107099 0.077219 0.009582 -0.030100 0.078394 33O 1dz2 -0.001310 0.001310 -0.000723 -0.001213 0.000538 0.001217 33O 1dxz -0.000534 -0.000149 0.002259 0.001087 0.000552 -0.000920 33O 1dyz 0.000588 0.000031 0.000831 -0.000815 -0.001098 0.000876 33O 1dx2y2 0.001251 -0.001441 -0.000904 0.000250 0.000396 0.001481 33O 1dxy 0.000348 -0.001166 0.001091 0.000889 0.000994 0.001378 33O 2dz2 -0.007455 0.003665 0.000477 0.002697 0.003080 0.004807 33O 2dxz 0.009373 -0.006000 0.007281 0.003736 -0.000724 0.016658 33O 2dyz -0.003350 0.003448 0.004440 0.008222 -0.003530 0.001983 33O 2dx2y2 -0.007657 0.002113 -0.000077 0.001704 0.003528 -0.013173 33O 2dxy -0.000042 -0.001172 0.004635 0.006158 0.001854 0.004565 33O 1f0 -0.000052 0.000406 0.000260 -0.000441 0.000115 0.001167 33O 1f+1 0.000815 -0.000641 -0.000211 0.000268 -0.000202 -0.000161 33O 1f-1 0.000023 0.000159 0.000102 -0.000304 -0.000266 0.001089 33O 1f+2 -0.000649 -0.000311 -0.000187 0.000907 0.000254 -0.001028 33O 1f-2 0.000324 -0.000448 -0.000375 -0.000130 0.000471 -0.000479 33O 1f+3 -0.000100 -0.000580 -0.000107 0.000682 0.000122 -0.000716 33O 1f-3 0.000030 -0.000318 0.000235 0.000543 0.000307 0.000327 34O 1s 0.005425 0.001710 -0.008342 0.001464 -0.010490 0.005989 34O 2s 0.013694 0.004788 -0.021119 0.003560 -0.025952 0.014933 34O 3s -0.029719 -0.018854 0.044360 -0.005783 0.048258 -0.028663 34O 4s 0.008523 0.052523 0.006818 -0.013937 0.038922 -0.021611 34O 5s -0.422524 -0.405258 0.446800 0.047766 0.379110 -0.222687 34O 1pz -0.004775 0.007151 0.025870 0.041345 -0.018706 0.027205 34O 1px -0.005440 0.016829 0.006075 0.005658 0.051886 0.051049 34O 1py -0.021136 -0.014763 -0.049096 0.025865 0.024825 0.010907 34O 2pz -0.005253 -0.006151 0.013130 0.039498 -0.020042 0.028139 34O 2px -0.007619 0.020629 0.031578 0.006649 0.050626 0.013580 34O 2py -0.015019 0.001799 -0.039518 0.025910 0.031572 0.038541 34O 3pz 0.060574 0.143424 0.062269 0.029055 -0.019775 0.076954 34O 3px -0.180701 -0.103375 0.088566 0.050840 0.146604 0.154321 34O 3py -0.045091 -0.171406 -0.117787 0.018370 -0.014223 -0.163304 34O 1dz2 -0.000639 -0.000153 0.000926 0.000269 0.000509 0.000028 34O 1dxz -0.001392 -0.001021 0.000023 0.001307 -0.000267 0.001021 34O 1dyz -0.000097 -0.000826 -0.001137 -0.000357 -0.000081 -0.001622 34O 1dx2y2 0.000654 0.000021 -0.002796 0.000637 -0.000660 0.000448 34O 1dxy 0.000451 0.001369 0.000573 0.000153 0.000389 -0.000289 34O 2dz2 0.006210 0.001775 -0.001924 -0.000767 -0.005870 -0.004527 34O 2dxz 0.000292 -0.001093 -0.003160 0.003041 -0.001709 0.003578 34O 2dyz 0.005169 -0.000016 -0.007729 -0.001475 -0.009416 -0.004773 34O 2dx2y2 -0.008190 -0.001961 -0.000619 0.004977 0.001972 -0.004306 34O 2dxy 0.006902 0.002650 -0.000514 -0.001330 -0.002690 -0.000982 34O 1f0 -0.000028 0.000354 -0.000029 -0.000361 0.000640 -0.000324 34O 1f+1 0.000479 -0.000214 -0.000150 -0.000222 -0.000754 -0.000289 34O 1f-1 -0.000270 -0.000151 0.000225 -0.000004 0.000121 0.000067 34O 1f+2 -0.000156 -0.000508 0.000191 0.000325 -0.000394 0.000238 34O 1f-2 0.000124 -0.000031 -0.000435 -0.000148 -0.000341 -0.001036 34O 1f+3 0.000455 -0.000524 0.000247 -0.000284 -0.000967 0.000636 34O 1f-3 -0.000611 -0.000495 0.000347 0.000018 -0.000060 0.000415 35O 1s 0.003286 -0.000319 0.000095 -0.012746 0.004577 -0.008350 35O 2s 0.008369 -0.001426 0.000359 -0.031627 0.011370 -0.021405 35O 3s -0.019873 0.014060 -0.002673 0.059646 -0.021604 0.046914 35O 4s 0.016406 -0.063640 0.015066 0.045158 -0.016214 -0.013823 35O 5s -0.277536 0.295946 -0.231566 0.484700 -0.186325 1.009751 35O 1pz 0.010394 -0.005469 0.032339 -0.026918 0.022721 0.033072 35O 1px -0.001032 -0.012547 0.020567 0.047586 0.024274 -0.002972 35O 1py 0.022911 -0.010731 0.016820 0.008850 -0.040722 0.039263 35O 2pz 0.006263 0.012170 0.017713 -0.037164 0.021418 0.010116 35O 2px 0.005476 -0.023298 0.016547 0.055814 0.017302 0.037401 35O 2py 0.020037 -0.004557 0.005318 0.006581 -0.041185 0.041567 35O 3pz 0.093162 -0.199508 0.106344 0.022253 0.032968 0.187270 35O 3px -0.156802 0.081689 -0.100107 0.141411 -0.028687 0.396454 35O 3py -0.009755 -0.091668 0.020289 0.076855 -0.046446 0.281241 35O 1dz2 -0.000239 -0.000319 0.001566 0.000403 0.000250 0.001193 35O 1dxz -0.002177 0.001924 -0.000550 -0.000724 0.000744 0.000112 35O 1dyz -0.000207 0.000196 0.001086 -0.000107 -0.000022 0.001045 35O 1dx2y2 0.000391 -0.000628 0.000206 -0.000198 0.001482 -0.002370 35O 1dxy 0.000403 0.000637 -0.000690 -0.000920 -0.000280 -0.001704 35O 2dz2 0.003154 0.000780 0.009195 0.001353 0.003188 -0.012451 35O 2dxz -0.003070 0.002219 -0.003143 -0.003159 0.002013 -0.000049 35O 2dyz -0.003881 0.001862 0.005672 0.008955 -0.002013 0.006723 35O 2dx2y2 -0.007696 -0.001391 -0.006719 0.006952 -0.000699 0.022599 35O 2dxy -0.008144 0.000265 -0.008362 0.006245 -0.003929 0.022540 35O 1f0 0.000541 -0.000563 -0.000259 0.000232 -0.000046 -0.000323 35O 1f+1 0.000223 0.000523 0.000785 -0.000634 0.000149 -0.000692 35O 1f-1 0.000272 0.000055 0.000142 -0.000363 0.000257 -0.000334 35O 1f+2 -0.000320 0.000553 0.000019 -0.000560 0.000022 -0.000348 35O 1f-2 -0.000452 0.000525 0.000736 -0.000044 0.000091 0.000609 35O 1f+3 0.000084 0.000739 0.000449 -0.000855 -0.000352 -0.000546 35O 1f-3 0.000472 0.000380 0.000340 -0.000846 0.000286 -0.001392 150 151 152 153 154 155 0.19785 0.19897 0.20565 0.21310 0.21944 0.22124 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s -0.000073 0.007759 -0.000331 -0.002308 -0.001427 0.001360 0Rh 2s 0.000373 -0.029979 0.000891 0.007444 0.005564 -0.005376 0Rh 3s -0.000191 0.026536 -0.001371 -0.008810 -0.004853 0.004577 0Rh 4s -0.001668 0.131756 -0.003725 -0.032038 -0.024514 0.023715 0Rh 5s 0.001986 -0.110305 -0.000165 0.014598 0.021019 -0.020919 0Rh 6s 0.000603 -0.215275 0.018975 0.100456 0.038145 -0.035092 0Rh 7s 0.059661 0.298093 0.027201 0.287362 -0.087312 0.045842 0Rh 8s 0.003478 -2.372057 -0.268862 -1.519292 0.568435 -0.375293 0Rh 1pz 0.000799 0.010713 0.008300 -0.007547 0.001993 -0.006544 0Rh 1px 0.006909 -0.013339 0.007700 0.003603 0.004555 -0.004992 0Rh 1py -0.003165 -0.004382 -0.003447 -0.005032 -0.007972 -0.003939 0Rh 2pz -0.002742 -0.036906 -0.028602 0.025909 -0.006897 0.022467 0Rh 2px -0.023755 0.046165 -0.026505 -0.012367 -0.015669 0.017224 0Rh 2py 0.010889 0.015081 0.011873 0.017446 0.027386 0.013583 0Rh 3pz 0.002412 0.035682 0.027741 -0.023197 0.007304 -0.020021 0Rh 3px 0.022088 -0.048756 0.025106 0.011050 0.014599 -0.017067 0Rh 3py -0.010242 -0.014305 -0.011413 -0.018829 -0.024768 -0.013297 0Rh 4pz 0.003515 0.034902 0.026392 -0.031771 0.003652 -0.028200 0Rh 4px 0.026140 -0.027667 0.027371 0.015826 0.017554 -0.014736 0Rh 4py -0.011340 -0.015426 -0.011387 -0.009024 -0.033016 -0.012096 0Rh 5pz 0.003308 0.042226 0.041332 -0.017150 0.014259 -0.011259 0Rh 5px 0.015837 -0.084663 0.023559 -0.001372 0.007600 -0.024667 0Rh 5py -0.013346 -0.014464 -0.016569 -0.039306 -0.018782 -0.016675 0Rh 6pz 0.020906 -0.960409 -0.576895 0.333592 -0.098555 0.417671 0Rh 6px -0.278552 1.790536 -0.344400 -0.090596 -0.258168 0.577752 0Rh 6py 0.140463 0.403789 0.214928 0.405869 0.659653 0.253896 0Rh 1dz2 0.007863 -0.004498 0.003700 -0.005614 0.000276 0.000300 0Rh 1dxz -0.004524 -0.001494 -0.017207 0.011280 0.000656 -0.004763 0Rh 1dyz -0.006140 -0.001912 -0.006405 0.002445 0.002958 0.003575 0Rh 1dx2y2 0.004424 0.006964 -0.008469 -0.001307 0.003583 0.002531 0Rh 1dxy 0.008764 0.002863 0.004605 0.006540 -0.001738 0.000764 0Rh 2dz2 -0.000090 -0.000223 0.000629 0.000062 0.000078 0.000219 0Rh 2dxz 0.000166 -0.000820 -0.000292 0.000115 -0.000173 0.000534 0Rh 2dyz -0.000355 -0.000189 0.000164 -0.000567 0.000435 0.000244 0Rh 2dx2y2 -0.000661 0.000614 -0.000375 -0.000463 -0.000426 0.000330 0Rh 2dxy -0.000079 0.000484 0.000193 0.000391 0.000582 0.000537 0Rh 3dz2 -0.013495 0.008779 -0.009102 0.009703 -0.000803 -0.001448 0Rh 3dxz 0.007270 0.005875 0.031557 -0.020421 -0.000473 0.006311 0Rh 3dyz 0.012268 0.004087 0.010565 -0.001961 -0.007016 -0.007311 0Rh 3dx2y2 -0.005043 -0.014663 0.016460 0.004165 -0.004656 -0.005753 0Rh 3dxy -0.015116 -0.006966 -0.008941 -0.013158 0.000769 -0.003467 0Rh 4dz2 -0.012031 0.002715 0.003278 0.008348 0.000630 0.002526 0Rh 4dxz 0.008183 -0.008847 0.019861 -0.013247 -0.002744 0.012333 0Rh 4dyz 0.003927 0.000424 0.011570 -0.011088 0.001791 -0.001683 0Rh 4dx2y2 -0.014749 -0.000507 0.006977 -0.004609 -0.009677 0.000582 0Rh 4dxy -0.012851 0.002423 -0.003397 -0.004205 0.009149 0.005159 0Rh 5dz2 -0.018737 0.042886 -0.056647 0.014549 -0.001912 -0.015706 0Rh 5dxz 0.009198 0.060843 0.079006 -0.065227 0.004704 0.005516 0Rh 5dyz 0.053129 0.017313 0.003366 0.032918 -0.038953 -0.027592 0Rh 5dx2y2 0.025091 -0.085157 0.052967 0.051246 -0.003966 -0.028965 0Rh 5dxy -0.026369 -0.042201 -0.033943 -0.037162 -0.016271 -0.024539 0Rh 1f0 0.001226 -0.001686 -0.000508 0.000797 -0.001131 -0.002259 0Rh 1f+1 -0.001195 0.003860 -0.000406 -0.000884 0.000494 -0.003408 0Rh 1f-1 0.000164 0.001993 0.001603 -0.001552 -0.000100 -0.003781 0Rh 1f+2 -0.000826 -0.000133 -0.002268 -0.001537 -0.002344 0.004731 0Rh 1f-2 -0.001471 -0.000380 -0.001519 -0.001026 -0.004112 -0.000926 0Rh 1f+3 -0.000174 0.005123 -0.000215 -0.002703 0.003780 -0.000109 0Rh 1f-3 0.000498 0.001517 -0.000233 -0.000979 -0.003888 -0.001303 1Rh 1s 0.001021 -0.007610 -0.000325 -0.002184 0.001503 -0.001277 1Rh 2s -0.003856 0.029467 0.000865 0.006964 -0.005818 0.005088 1Rh 3s 0.003546 -0.025985 -0.001356 -0.008384 0.005136 -0.004271 1Rh 4s 0.016917 -0.129536 -0.003607 -0.029925 0.025614 -0.022465 1Rh 5s -0.013597 0.108934 -0.000303 0.012828 -0.021620 0.020143 1Rh 6s -0.029676 0.209812 0.018926 0.097015 -0.041220 0.031990 1Rh 7s 0.101420 -0.282043 0.027212 0.293848 0.080672 -0.051579 1Rh 8s -0.337711 2.360895 -0.273128 -1.563226 -0.529598 0.410137 1Rh 1pz -0.002182 0.010706 -0.008307 0.007317 0.001858 -0.006778 1Rh 1px -0.004889 -0.014433 -0.007632 -0.003393 0.004591 -0.005148 1Rh 1py 0.003924 -0.003627 0.003316 0.004758 -0.008130 -0.003995 1Rh 2pz 0.007509 -0.036884 0.028627 -0.025119 -0.006437 0.023267 1Rh 2px 0.016767 0.049923 0.026269 0.011646 -0.015795 0.017760 1Rh 2py -0.013503 0.012482 -0.011426 -0.016502 0.027933 0.013776 1Rh 3pz -0.007049 0.035668 -0.027795 0.022460 0.006941 -0.020700 1Rh 3px -0.014728 -0.052141 -0.024858 -0.010345 0.014714 -0.017570 1Rh 3py 0.012741 -0.011831 0.011014 0.017922 -0.025324 -0.013498 1Rh 4pz -0.007900 0.034863 -0.026305 0.030901 0.002893 -0.029311 1Rh 4px -0.021890 -0.032241 -0.027242 -0.015145 0.017713 -0.015306 1Rh 4py 0.013940 -0.012840 0.010829 0.008110 -0.033427 -0.012230 1Rh 5pz -0.009072 0.041925 -0.041620 0.016561 0.014365 -0.011717 1Rh 5px -0.003054 -0.086144 -0.022970 0.001917 0.007547 -0.025193 1Rh 5py 0.015984 -0.011063 0.016378 0.038216 -0.019791 -0.016977 1Rh 6pz 0.108795 -0.961226 0.579555 -0.314259 -0.096783 0.430918 1Rh 6px 0.011533 1.816558 0.332691 0.075215 -0.261106 0.584613 1Rh 6py -0.212414 0.359496 -0.207567 -0.382626 0.673215 0.254777 1Rh 1dz2 0.007191 0.005175 0.003753 -0.005736 -0.000070 -0.000119 1Rh 1dxz -0.004735 0.000732 -0.017186 0.011408 -0.000970 0.004047 1Rh 1dyz -0.006195 0.000916 -0.006381 0.002495 -0.003121 -0.003771 1Rh 1dx2y2 0.005466 -0.006035 -0.008305 -0.001405 -0.003300 -0.002403 1Rh 1dxy 0.009028 -0.000927 0.004705 0.006650 0.001548 -0.000732 1Rh 2dz2 -0.000121 0.000210 0.000626 0.000066 -0.000089 -0.000221 1Rh 2dxz 0.000050 0.000865 -0.000293 0.000104 0.000184 -0.000507 1Rh 2dyz -0.000391 0.000130 0.000167 -0.000577 -0.000404 -0.000242 1Rh 2dx2y2 -0.000564 -0.000723 -0.000373 -0.000442 0.000429 -0.000339 1Rh 2dxy 0.000002 -0.000477 0.000187 0.000370 -0.000588 -0.000547 1Rh 3dz2 -0.012192 -0.009925 -0.009185 0.009903 0.000481 0.001138 1Rh 3dxz 0.008099 -0.004726 0.031526 -0.020604 0.000986 -0.005149 1Rh 3dyz 0.012507 -0.002094 0.010509 -0.002005 0.007178 0.007649 1Rh 3dx2y2 -0.007261 0.013488 0.016166 0.004256 0.004145 0.005568 1Rh 3dxy -0.015902 0.003530 -0.009097 -0.013267 -0.000408 0.003453 1Rh 4dz2 -0.011601 -0.003832 0.003175 0.008545 -0.001045 -0.002809 1Rh 4dxz 0.006925 0.010433 0.019811 -0.013566 0.003276 -0.011053 1Rh 4dyz 0.003562 0.000185 0.011571 -0.011304 -0.001165 0.001981 1Rh 4dx2y2 -0.014760 -0.002173 0.006769 -0.004220 0.009352 -0.000859 1Rh 4dxy -0.012180 -0.004964 -0.003595 -0.004602 -0.008956 -0.005329 1Rh 5dz2 -0.012473 -0.043472 -0.056662 0.014889 0.001772 0.015526 1Rh 5dxz 0.018053 -0.059824 0.079206 -0.065248 -0.003557 -0.003838 1Rh 5dyz 0.055234 -0.008568 0.003262 0.033391 0.037483 0.028711 1Rh 5dx2y2 0.011941 0.087722 0.052152 0.050830 0.002091 0.028613 1Rh 5dxy -0.032369 0.034693 -0.034230 -0.036756 0.016966 0.025025 1Rh 1f0 -0.000927 -0.001813 0.000517 -0.000864 -0.001158 -0.002249 1Rh 1f+1 0.000677 0.004016 0.000394 0.000806 0.000485 -0.003402 1Rh 1f-1 -0.000357 0.002023 -0.001640 0.001437 -0.000133 -0.003880 1Rh 1f+2 0.000754 -0.000005 0.002239 0.001552 -0.002382 0.004735 1Rh 1f-2 0.001539 -0.000124 0.001460 0.000874 -0.004145 -0.000847 1Rh 1f+3 -0.000565 0.005103 0.000272 0.002734 0.003703 -0.000163 1Rh 1f-3 -0.000632 0.001450 0.000172 0.000840 -0.003919 -0.001364 2C 1s -0.001455 0.000142 0.000857 0.000740 0.003381 -0.002909 2C 2s -0.002941 0.000285 0.001502 0.001852 0.006713 -0.006096 2C 3s -0.006261 0.003073 0.009094 -0.008659 0.011669 0.000880 2C 4s 0.087052 -0.018551 -0.085450 0.045306 -0.189496 0.116285 2C 5s -0.361030 0.194090 -0.379368 -0.772720 0.233917 -1.263777 2C 1pz 0.027507 0.006667 0.023951 -0.014757 -0.025770 0.005180 2C 1px 0.004350 -0.018046 -0.014837 -0.008241 -0.023779 -0.041100 2C 1py 0.009166 -0.010867 -0.008939 0.021188 0.013597 0.018250 2C 2pz 0.047244 -0.005734 -0.001244 -0.014138 -0.038953 -0.024690 2C 2px -0.007431 0.004196 0.003357 -0.039603 -0.004708 -0.036867 2C 2py -0.027809 -0.006579 -0.021348 0.017418 0.019301 0.002011 2C 3pz -0.415324 0.310544 0.145849 0.043390 0.324255 -0.213458 2C 3px -0.199176 -0.981240 0.272990 0.377617 0.903071 0.432821 2C 3py 0.684736 -0.183465 -0.358109 -0.482315 -0.741893 -0.440929 2C 1dz2 -0.000177 -0.002346 -0.001833 0.002026 0.000054 0.000454 2C 1dxz -0.006257 0.000138 0.007587 -0.004020 0.007129 0.003650 2C 1dyz 0.000479 0.004764 -0.004151 0.000799 -0.003424 -0.002047 2C 1dx2y2 -0.001738 0.006967 -0.001439 0.001637 -0.003460 -0.003368 2C 1dxy 0.008225 0.001975 -0.003086 -0.009889 -0.010694 -0.003961 2C 2dz2 0.010495 -0.005468 -0.018690 -0.002418 -0.009721 -0.012093 2C 2dxz 0.021445 0.017762 -0.028579 -0.027268 -0.054891 -0.043594 2C 2dyz -0.026200 -0.010872 0.015822 0.010176 0.038073 0.016555 2C 2dx2y2 0.022604 -0.006709 0.012738 -0.016715 -0.002628 0.016579 2C 2dxy -0.018607 0.000711 0.005624 0.014753 0.029057 0.010235 2C 1f0 0.002506 -0.001604 -0.000611 -0.002069 -0.002018 0.000271 2C 1f+1 -0.003309 0.000138 0.002501 0.001921 0.005188 0.003511 2C 1f-1 -0.000144 -0.000237 -0.001673 0.001936 -0.000995 -0.001661 2C 1f+2 0.000370 0.002016 -0.001398 -0.001075 -0.001695 -0.003571 2C 1f-2 0.003468 0.001622 -0.001916 -0.003008 -0.005654 -0.001911 2C 1f+3 0.000894 0.000738 -0.000306 -0.002881 -0.002041 -0.002148 2C 1f-3 -0.002632 -0.001799 0.002943 0.001542 0.005441 0.004308 3C 1s 0.002546 -0.000603 -0.000709 0.002472 0.001658 0.002133 3C 2s 0.005133 -0.001236 -0.001437 0.005225 0.003399 0.004268 3C 3s 0.009248 0.000898 0.000996 0.002875 -0.000407 0.007383 3C 4s -0.148550 0.016147 0.017414 -0.095729 -0.067958 -0.112952 3C 5s 0.393299 0.220841 0.057717 -1.079722 1.279966 0.078766 3C 1pz -0.015947 -0.000903 0.009137 0.036446 -0.056315 0.025145 3C 1px -0.009548 -0.018577 -0.017133 -0.040965 0.024842 0.018080 3C 1py 0.000268 0.001398 0.000098 0.007255 -0.017713 0.033939 3C 2pz -0.017828 -0.005036 -0.022232 -0.009904 -0.030356 0.026621 3C 2px 0.021995 0.017414 0.019696 -0.059575 0.022351 0.029394 3C 2py 0.025714 0.012134 0.013291 0.027139 -0.052609 0.046920 3C 3pz -0.609744 0.423376 0.331148 -0.577775 0.882368 -0.875072 3C 3px -0.050791 -1.056662 0.138541 0.523550 -0.204371 -0.811333 3C 3py -0.484798 -0.168633 0.275543 0.142600 0.020402 -0.784809 3C 1dz2 0.003221 -0.002270 -0.004419 0.003898 -0.004954 0.008250 3C 1dxz 0.002245 -0.004974 0.009651 0.004560 -0.003954 -0.009050 3C 1dyz 0.010233 -0.002640 0.001337 0.006296 -0.006896 0.004579 3C 1dx2y2 -0.004170 0.004502 0.004924 -0.002187 0.004947 -0.006031 3C 1dxy -0.006265 -0.005752 -0.002407 0.001950 0.002307 -0.006516 3C 2dz2 0.012309 0.000118 -0.005774 -0.001785 0.001045 -0.002040 3C 2dxz -0.001003 0.014918 -0.030483 -0.033284 0.024145 0.046704 3C 2dyz -0.035354 0.017544 0.006716 -0.049794 0.056694 -0.038075 3C 2dx2y2 0.026064 -0.003790 -0.005078 0.026886 -0.046069 0.044165 3C 2dxy 0.007234 -0.012638 -0.002756 0.022507 -0.032998 0.015562 3C 1f0 0.002932 -0.000826 -0.001082 0.003146 -0.006038 0.006393 3C 1f+1 0.002812 -0.001819 0.002858 0.005194 -0.005953 -0.000512 3C 1f-1 -0.002484 0.000847 0.002723 -0.003057 0.003593 -0.005687 3C 1f+2 0.003213 0.000830 0.002232 0.002754 -0.001399 0.000704 3C 1f-2 -0.000662 -0.000232 -0.002387 -0.001745 0.002744 0.001811 3C 1f+3 0.001705 0.001064 -0.002423 0.000987 -0.002034 0.006711 3C 1f-3 -0.002848 0.003046 -0.001900 -0.005773 0.005683 0.000274 4C 1s 0.006826 -0.002614 0.006906 0.003574 -0.000584 0.007042 4C 2s 0.015560 -0.005424 0.015035 0.006608 -0.001453 0.014204 4C 3s -0.029554 -0.011242 0.002067 0.004340 0.031500 0.001531 4C 4s -0.086218 0.139587 -0.267158 -0.183008 -0.178298 -0.235828 4C 5s -0.366780 -0.141143 0.174780 1.803614 0.180237 1.432306 4C 1pz 0.023997 -0.022778 -0.031556 -0.002939 -0.018299 -0.020148 4C 1px 0.015518 0.065046 0.001643 -0.038999 -0.028251 0.004871 4C 1py -0.080753 0.015876 0.043814 0.011441 0.049024 -0.002331 4C 2pz 0.052407 0.014730 -0.166092 0.100475 -0.093296 -0.069231 4C 2px 0.059612 0.004711 0.142648 -0.298110 -0.055832 0.052236 4C 2py -0.196882 0.021730 0.098281 -0.003981 0.085246 -0.000537 4C 3pz -0.185496 -0.151287 -0.422314 0.351249 -0.091839 -0.392979 4C 3px -0.025076 0.697905 0.424381 -1.136023 -0.511245 -0.198997 4C 3py 0.024166 0.168079 -0.188499 -0.019337 -0.012500 -0.167497 4C 1dz2 0.002485 0.001848 -0.001738 -0.004626 -0.004879 -0.001583 4C 1dxz 0.000214 -0.003870 -0.002867 0.006024 -0.001094 -0.001033 4C 1dyz 0.001948 0.000675 0.002184 -0.003097 -0.000150 -0.000261 4C 1dx2y2 0.007507 -0.000223 -0.000095 -0.005061 -0.006545 -0.000540 4C 1dxy 0.002500 -0.003032 -0.003921 0.000638 -0.001998 -0.000445 4C 2dz2 0.001293 0.024527 -0.032529 0.045315 -0.003679 -0.024403 4C 2dxz 0.000443 -0.031141 0.086796 -0.089032 0.053926 0.015986 4C 2dyz 0.017984 0.014230 -0.003450 0.003694 -0.037730 0.006122 4C 2dx2y2 -0.000278 0.001749 -0.014543 0.027788 -0.017292 0.035699 4C 2dxy 0.012261 -0.023699 0.030419 -0.063550 -0.018207 0.035252 4C 1f0 -0.001677 0.002175 0.000909 0.001134 0.000683 -0.001235 4C 1f+1 -0.000752 -0.003193 0.004586 -0.002552 0.002860 -0.001882 4C 1f-1 -0.000053 0.000096 -0.002496 0.002063 0.000130 -0.001522 4C 1f+2 0.001594 0.000028 -0.004232 0.002564 -0.004168 0.000579 4C 1f-2 0.001075 -0.003321 0.003567 -0.005246 0.003000 0.001480 4C 1f+3 -0.003611 -0.001309 -0.000096 0.003551 0.000976 0.000131 4C 1f-3 0.001663 0.002008 -0.002101 0.003649 0.002735 -0.004422 5C 1s -0.000306 -0.003333 -0.000578 0.006280 -0.006736 -0.001156 5C 2s -0.001055 -0.007088 -0.001336 0.012354 -0.013428 -0.002656 5C 3s 0.007004 -0.004560 -0.012296 0.023161 -0.011362 0.011730 5C 4s -0.006585 0.134721 0.110973 -0.389123 0.275793 -0.034406 5C 5s 0.251364 -0.139539 0.372596 1.932358 -1.562556 0.233216 5C 1pz 0.072272 -0.024715 -0.050741 -0.000157 0.003085 0.052076 5C 1px 0.032072 0.072880 0.022942 -0.009053 -0.001445 0.025815 5C 1py 0.038957 0.010214 -0.019167 -0.008528 -0.013582 0.036211 5C 2pz 0.098312 -0.018457 -0.194713 -0.063563 0.057846 0.156699 5C 2px 0.278146 0.079290 0.311394 0.081282 -0.111097 -0.090818 5C 2py 0.152077 -0.016508 -0.013767 0.020570 -0.079944 0.072586 5C 3pz -0.262165 -0.253827 -0.117447 0.042948 0.088690 0.158978 5C 3px 0.716098 0.956179 1.009694 -0.234547 -0.058946 -0.023582 5C 3py -0.093210 0.029687 0.023745 0.433497 -0.575071 0.198960 5C 1dz2 0.006529 0.001039 -0.000470 0.006355 -0.003023 0.006681 5C 1dxz 0.001285 -0.002524 -0.002372 0.000690 -0.000800 0.004025 5C 1dyz -0.000235 -0.001405 -0.000717 0.005065 -0.000294 -0.001428 5C 1dx2y2 -0.000058 -0.003127 -0.004395 -0.001961 -0.001132 0.003095 5C 1dxy 0.002690 0.003716 0.004998 -0.000488 -0.001325 0.001034 5C 2dz2 -0.022785 0.004308 -0.055748 -0.014400 0.032432 0.024640 5C 2dxz 0.040913 -0.009884 0.064417 0.031008 -0.005857 -0.046298 5C 2dyz 0.045559 -0.017315 0.032188 0.038859 -0.019846 0.004176 5C 2dx2y2 0.042348 -0.008373 0.071045 0.013388 -0.036588 -0.050062 5C 2dxy -0.072618 0.008178 -0.095412 -0.057764 0.038540 0.041105 5C 1f0 0.000549 0.000280 0.004432 0.003307 0.000333 -0.003197 5C 1f+1 -0.005288 -0.000211 -0.004415 0.000103 0.003540 0.003915 5C 1f-1 0.002466 -0.000773 0.003537 0.001555 -0.001251 -0.001820 5C 1f+2 0.002353 -0.001070 -0.000426 0.000793 -0.001401 -0.000278 5C 1f-2 -0.006876 0.000996 -0.005964 -0.005581 0.002694 0.001463 5C 1f+3 -0.000564 -0.003241 -0.000884 0.002360 0.001179 -0.001999 5C 1f-3 0.000532 -0.003412 0.006171 0.000158 -0.003128 -0.002836 6C 1s -0.000890 0.003394 -0.000493 0.006476 0.006626 0.000868 6C 2s -0.002291 0.007202 -0.001161 0.012743 0.013243 0.002052 6C 3s 0.006175 0.004753 -0.012368 0.023107 0.009772 -0.011777 6C 4s 0.017176 -0.134826 0.108740 -0.395006 -0.261584 0.046254 6C 5s 0.222480 0.139678 0.388148 1.971028 1.500972 -0.257752 6C 1pz -0.068129 -0.033777 0.050357 0.001196 0.001770 0.051807 6C 1px -0.042045 0.067193 -0.023110 0.008668 -0.001707 0.024628 6C 1py -0.040049 0.004441 0.019016 0.008443 -0.014519 0.036410 6C 2pz -0.096628 -0.028203 0.193062 0.066964 0.053271 0.156629 6C 2px -0.281960 0.034842 -0.307711 -0.085483 -0.109663 -0.092735 6C 2py -0.146919 -0.039695 0.013717 -0.021196 -0.080883 0.073401 6C 3pz 0.290779 -0.210025 0.115276 -0.034306 0.091548 0.155910 6C 3px -0.832425 0.833527 -1.000703 0.219170 -0.067469 -0.047042 6C 3py 0.090366 0.043150 -0.026148 -0.437992 -0.556495 0.194713 6C 1dz2 0.006601 -0.000192 -0.000417 0.006321 0.002835 -0.006647 6C 1dxz 0.000905 0.002478 -0.002340 0.000668 0.000785 -0.003985 6C 1dyz -0.000458 0.001225 -0.000716 0.005108 0.000111 0.001385 6C 1dx2y2 -0.000507 0.003128 -0.004360 -0.002045 0.001269 -0.003068 6C 1dxy 0.003210 -0.003278 0.005007 -0.000439 0.001330 -0.000900 6C 2dz2 -0.021448 -0.007815 -0.055672 -0.015370 -0.032099 -0.024356 6C 2dxz 0.038499 0.016546 0.063582 0.030551 0.004629 0.046155 6C 2dyz 0.041866 0.024113 0.031850 0.038567 0.018460 -0.003924 6C 2dx2y2 0.039556 0.015073 0.070227 0.015370 0.036402 0.049359 6C 2dxy -0.069769 -0.020409 -0.094246 -0.058683 -0.037432 -0.040712 6C 1f0 -0.000539 0.000146 -0.004344 -0.003297 0.000476 -0.003111 6C 1f+1 0.005134 0.000576 0.004376 0.000049 0.003604 0.003941 6C 1f-1 -0.002312 -0.001186 -0.003499 -0.001603 -0.001229 -0.001792 6C 1f+2 -0.002171 -0.001353 0.000422 -0.000830 -0.001438 -0.000223 6C 1f-2 0.006572 0.002080 0.005880 0.005603 0.002539 0.001423 6C 1f+3 0.001048 -0.003119 0.000931 -0.002280 0.001333 -0.001922 6C 1f-3 -0.000019 -0.003512 -0.006147 -0.000235 -0.003141 -0.002855 7C 1s 0.006572 0.003718 0.006844 0.003365 0.000563 -0.006694 7C 2s 0.015031 0.007962 0.014891 0.006174 0.001439 -0.013379 7C 3s -0.031121 0.006032 0.002249 0.003896 -0.031661 -0.003263 7C 4s -0.069194 -0.151191 -0.266585 -0.174495 0.181115 0.234205 7C 5s -0.377675 0.051558 0.188209 1.773852 -0.230052 -1.497292 7C 1pz -0.020390 -0.025431 0.031733 0.002536 -0.019035 -0.018907 7C 1px -0.024803 0.063237 -0.001981 0.037407 -0.029736 0.003855 7C 1py 0.076609 0.026818 -0.043275 -0.010090 0.050133 -0.002407 7C 2pz -0.052659 0.006217 0.165363 -0.103375 -0.091685 -0.063468 7C 2px -0.060425 0.007746 -0.143415 0.292829 -0.062755 0.046494 7C 2py 0.190540 0.050609 -0.097426 0.004878 0.088020 0.000275 7C 3pz 0.203413 -0.139413 0.423925 -0.352216 -0.078409 -0.369838 7C 3px -0.078285 0.719858 -0.420990 1.104402 -0.545849 -0.237227 7C 3py -0.054028 0.168332 0.193939 0.019446 -0.018146 -0.177233 7C 1dz2 0.002677 -0.001584 -0.001706 -0.004408 0.005002 0.001595 7C 1dxz -0.000389 0.003894 -0.002837 0.006060 0.000950 0.000719 7C 1dyz 0.002102 -0.000265 0.002116 -0.003154 0.000273 0.000608 7C 1dx2y2 0.007318 0.001442 -0.000092 -0.004877 0.006679 0.000854 7C 1dxy 0.002029 0.003481 -0.003928 0.000612 0.002012 0.000554 7C 2dz2 0.004167 -0.022005 -0.032880 0.044814 0.003092 0.024733 7C 2dxz -0.003840 0.027207 0.086955 -0.089753 -0.052659 -0.014313 7C 2dyz 0.019285 -0.010917 -0.003102 0.004472 0.037407 -0.005664 7C 2dx2y2 0.000362 -0.001832 -0.014158 0.027189 0.015924 -0.035808 7C 2dxy 0.008976 0.022112 0.030484 -0.062600 0.019291 -0.034535 7C 1f0 0.001364 0.002291 -0.000955 -0.001150 0.000722 -0.001233 7C 1f+1 0.001247 -0.002914 -0.004563 0.002513 0.002785 -0.001871 7C 1f-1 0.000017 -0.000020 0.002523 -0.002043 0.000107 -0.001474 7C 1f+2 -0.001591 -0.000303 0.004263 -0.002590 -0.004145 0.000638 7C 1f-2 -0.000634 -0.003242 -0.003582 0.005302 0.002931 0.001463 7C 1f+3 0.003803 -0.000956 0.000105 -0.003453 0.001163 0.000183 7C 1f-3 -0.001827 0.001599 0.002117 -0.003639 0.002769 -0.004360 8C 1s 0.002433 0.000934 -0.000716 0.002391 -0.001696 -0.002116 8C 2s 0.004898 0.001911 -0.001451 0.005060 -0.003482 -0.004225 8C 3s 0.009467 0.000176 0.001100 0.002803 0.000565 -0.007309 8C 4s -0.145577 -0.035281 0.017228 -0.091821 0.068201 0.111346 8C 5s 0.426044 -0.156734 0.045652 -1.107053 -1.240952 -0.059092 8C 1pz 0.016084 0.001812 -0.009826 -0.036910 -0.055036 0.025614 8C 1px 0.011910 -0.016719 0.016834 0.042213 0.023893 0.016814 8C 1py -0.000567 0.002353 -0.000485 -0.006688 -0.016840 0.032666 8C 2pz 0.018256 -0.001736 0.021680 0.009718 -0.030819 0.027809 8C 2px -0.024594 0.014187 -0.019907 0.060046 0.020720 0.026953 8C 2py -0.027548 0.009527 -0.014296 -0.027138 -0.051707 0.045211 8C 3pz 0.543775 0.494288 -0.323738 0.573314 0.871403 -0.872501 8C 3px 0.202013 -1.044231 -0.130775 -0.521287 -0.190889 -0.780230 8C 3py 0.502939 -0.100560 -0.269706 -0.153191 0.031474 -0.765381 8C 1dz2 0.002902 0.002720 -0.004237 0.003921 0.004960 -0.008061 8C 1dxz 0.001273 0.005289 0.009598 0.004572 0.003627 0.009116 8C 1dyz 0.009615 0.004124 0.001465 0.006335 0.006798 -0.004367 8C 1dx2y2 -0.003460 -0.005019 0.004795 -0.002176 -0.004944 0.005903 8C 1dxy -0.007093 0.004703 -0.002421 0.001864 -0.002475 0.006345 8C 2dz2 0.012072 0.001422 -0.006249 -0.002175 -0.001149 0.001258 8C 2dxz 0.001657 -0.015447 -0.030118 -0.033852 -0.022618 -0.045934 8C 2dyz -0.032101 -0.021653 0.006098 -0.050144 -0.055281 0.037451 8C 2dx2y2 0.025025 0.007246 -0.004238 0.026743 0.045328 -0.042935 8C 2dxy 0.005508 0.013285 -0.002331 0.023245 0.033147 -0.015971 8C 1f0 -0.002794 -0.001195 0.000936 -0.003205 -0.006037 0.006254 8C 1f+1 -0.002465 -0.002175 -0.002881 -0.005279 -0.005730 -0.000542 8C 1f-1 0.002348 0.001097 -0.002639 0.003063 0.003574 -0.005611 8C 1f+2 -0.003266 0.000381 -0.002278 -0.002747 -0.001306 0.000578 8C 1f-2 0.000578 -0.000130 0.002368 0.001733 0.002588 0.001855 8C 1f+3 -0.001905 0.000853 0.002289 -0.001024 -0.002087 0.006586 8C 1f-3 0.002313 0.003374 0.001960 0.005867 0.005508 0.000305 9C 1s -0.001394 -0.000346 0.000818 0.000721 -0.003376 0.002750 9C 2s -0.002825 -0.000680 0.001435 0.001830 -0.006732 0.005742 9C 3s -0.005525 -0.004414 0.008723 -0.009154 -0.010847 -0.000516 9C 4s 0.081387 0.033113 -0.082013 0.048662 0.184468 -0.112958 9C 5s -0.325533 -0.233936 -0.394240 -0.759478 -0.206330 1.268355 9C 1pz -0.028603 0.002059 -0.023865 0.013782 -0.026092 0.004809 9C 1px -0.002510 -0.020210 0.014867 0.007823 -0.024742 -0.042099 9C 1py -0.007579 -0.011829 0.009301 -0.019149 0.013877 0.016173 9C 2pz -0.046533 -0.013727 0.001602 0.011969 -0.039793 -0.024439 9C 2px 0.004428 0.004820 -0.003926 0.039287 -0.006902 -0.037880 9C 2py 0.028980 -0.002956 0.021576 -0.016176 0.021150 -0.000270 9C 3pz 0.356589 0.359215 -0.138477 -0.033115 0.324539 -0.234300 9C 3px 0.338191 -0.942234 -0.269928 -0.344007 0.932295 0.459186 9C 3py -0.641966 -0.279272 0.353800 0.449886 -0.754532 -0.425172 9C 1dz2 -0.000516 0.002366 -0.001834 0.002004 -0.000059 -0.000580 9C 1dxz -0.006029 -0.001017 0.007576 -0.004299 -0.007147 -0.003484 9C 1dyz 0.000892 -0.004561 -0.003986 0.001008 0.003222 0.002079 9C 1dx2y2 -0.001019 -0.006993 -0.001242 0.001936 0.003108 0.003386 9C 1dxy 0.008276 -0.001213 -0.003103 -0.009309 0.011118 0.004101 9C 2dz2 0.009187 0.006627 -0.018376 -0.001278 0.009378 0.010472 9C 2dxz 0.023136 -0.013943 -0.028504 -0.024331 0.056072 0.044209 9C 2dyz -0.026683 0.006282 0.015428 0.008849 -0.037723 -0.017210 9C 2dx2y2 0.022010 0.009401 0.012620 -0.017193 0.004041 -0.016426 9C 2dxy -0.017620 -0.003369 0.005721 0.012617 -0.029118 -0.009519 9C 1f0 -0.002258 -0.001878 0.000625 0.001963 -0.002114 0.000393 9C 1f+1 0.003139 0.000662 -0.002539 -0.001623 0.005259 0.003583 9C 1f-1 0.000284 -0.000300 0.001604 -0.002005 -0.000801 -0.001622 9C 1f+2 -0.000504 0.001860 0.001322 0.000925 -0.001574 -0.003552 9C 1f-2 -0.003585 0.001096 0.001892 0.002746 -0.005707 -0.002052 9C 1f+3 -0.001046 0.000700 0.000399 0.002693 -0.002325 -0.002152 9C 1f-3 0.002774 -0.001254 -0.002933 -0.001251 0.005468 0.004392 10H 1s 0.004694 0.008493 -0.016390 0.021624 -0.010426 -0.010203 10H 2s 0.044397 0.119968 -0.172204 0.105260 -0.205199 -0.182909 10H 3s 0.142917 0.716482 -0.028593 0.013337 -0.417758 0.061954 10H 1pz -0.005240 0.004760 -0.001274 0.001733 -0.001787 -0.008909 10H 1px -0.002020 0.000160 0.012477 -0.003225 0.010196 0.013564 10H 1py 0.010244 0.001199 -0.007244 -0.008307 -0.016137 -0.009143 11H 1s -0.019901 -0.004807 0.021463 0.003260 0.028086 0.008997 11H 2s -0.236164 -0.061796 0.203705 0.148460 0.401084 0.200030 11H 3s -0.348503 -0.276673 0.389391 0.245058 0.423442 0.177771 11H 1pz -0.009525 0.002003 0.005106 0.010865 0.017704 0.008380 11H 1px -0.006132 -0.008621 0.008509 0.002501 0.019681 0.012407 11H 1py 0.007885 -0.005004 -0.003184 -0.001981 -0.007574 -0.003008 12H 1s 0.015997 -0.006950 0.000907 -0.021633 -0.010953 -0.004336 12H 2s 0.146429 -0.073195 0.010079 -0.186640 -0.124478 -0.007026 12H 3s 0.589825 -0.563931 -0.207212 -0.014409 -0.282800 0.041774 12H 1pz -0.000793 -0.004108 0.000585 0.006108 0.002397 0.001513 12H 1px -0.006032 -0.007529 0.010147 -0.001962 0.012850 0.007840 12H 1py 0.005591 0.004119 0.000019 -0.012343 -0.010748 -0.004304 13H 1s -0.023668 0.004855 -0.025215 -0.010306 0.018256 0.006124 13H 2s -0.198378 0.111426 -0.211549 -0.236167 0.283280 0.070319 13H 3s -0.292177 0.738765 0.070930 -0.069836 0.009783 0.138843 13H 1pz -0.013347 0.001997 -0.003082 -0.017685 0.023171 -0.011906 13H 1px 0.003511 0.000444 0.014082 0.011214 -0.011302 -0.010057 13H 1py -0.004617 -0.005220 0.007690 0.008138 -0.006374 -0.012958 14H 1s -0.001068 -0.004342 0.027413 0.005308 0.002511 -0.030026 14H 2s -0.021810 -0.065028 0.250830 0.092537 0.015639 -0.401274 14H 3s -0.437798 -0.599786 0.228586 0.234832 -0.064326 -0.682106 14H 1pz -0.008021 0.007112 0.005968 -0.006563 0.012927 -0.017870 14H 1px 0.009945 -0.002897 0.011883 0.009510 -0.004447 -0.014920 14H 1py -0.002126 0.006581 0.005420 -0.004458 0.003447 -0.002018 15H 1s 0.028245 -0.004854 -0.007644 0.011409 -0.016497 0.027231 15H 2s 0.263991 -0.073440 -0.072824 0.251451 -0.330254 0.375236 15H 3s 0.532101 -0.254671 -0.320875 0.077915 -0.211537 0.383767 15H 1pz -0.009171 0.000841 -0.001202 -0.009966 0.014042 -0.012674 15H 1px 0.004711 -0.010153 0.007817 0.013010 -0.011478 -0.005112 15H 1py -0.007798 0.000671 0.003703 -0.015905 0.018703 -0.022940 16H 1s -0.005473 -0.013846 -0.022236 0.029888 0.000862 0.013873 16H 2s -0.059866 -0.028641 -0.149577 0.093600 0.006749 0.098508 16H 3s 0.016835 -0.141483 -0.119649 0.491409 -0.066822 0.019395 16H 1pz -0.003324 0.006166 -0.005710 -0.007276 0.000376 0.004788 16H 1px 0.000255 -0.003477 -0.004489 0.006813 -0.001033 0.002573 16H 1py -0.000364 0.002108 -0.001238 -0.001226 0.000076 0.001596 17H 1s 0.016908 0.011984 0.034553 0.001745 0.012204 -0.009005 17H 2s 0.093915 0.110212 0.156888 -0.081924 0.050389 -0.053142 17H 3s 0.166948 0.051163 0.337110 0.280634 0.031195 -0.036828 17H 1pz -0.002222 -0.006940 -0.003834 0.007992 -0.001254 0.002464 17H 1px 0.001815 -0.003617 0.006909 0.008614 0.002767 -0.000137 17H 1py 0.000284 0.004108 -0.000788 -0.005027 0.000725 -0.000867 18H 1s 0.018003 -0.009512 0.034589 0.001184 -0.011911 0.009744 18H 2s 0.105233 -0.096371 0.155381 -0.083184 -0.046401 0.059236 18H 3s 0.168037 -0.030351 0.338751 0.279447 -0.036955 0.034555 18H 1pz 0.003109 -0.006672 0.003670 -0.008094 -0.000981 0.002902 18H 1px -0.001303 -0.003827 -0.007132 -0.008373 0.002976 0.000009 18H 1py -0.000802 0.003799 0.000946 0.004676 0.000578 -0.000958 19H 1s -0.006414 0.013516 -0.021882 0.029651 -0.001917 -0.014869 19H 2s -0.059051 0.022233 -0.147647 0.093648 -0.012495 -0.104738 19H 3s 0.003393 0.147135 -0.119689 0.492722 0.054320 -0.029080 19H 1pz 0.002516 0.006552 0.005647 0.007108 0.000459 0.004846 19H 1px 0.000030 -0.003655 0.004382 -0.006804 -0.000825 0.002659 19H 1py 0.000234 0.002243 0.001398 0.001309 0.000185 0.001803 20H 1s 0.027189 0.008764 -0.007251 0.011300 0.016551 -0.026751 20H 2s 0.249925 0.106992 -0.067437 0.251478 0.325867 -0.369222 20H 3s 0.488288 0.334304 -0.317534 0.074991 0.219467 -0.379452 20H 1pz 0.008939 0.001858 0.001365 0.009984 0.013769 -0.012518 20H 1px -0.003146 -0.010733 -0.007817 -0.013237 -0.011209 -0.004854 20H 1py 0.007591 0.001418 -0.003390 0.015830 0.018215 -0.022546 21H 1s -0.002022 0.004518 0.027000 0.005474 -0.002941 0.029781 21H 2s -0.033468 0.064856 0.246040 0.096283 -0.020677 0.394366 21H 3s -0.524529 0.531802 0.227109 0.233389 0.050094 0.667713 21H 1pz 0.006819 0.008008 -0.005789 0.006360 0.012777 -0.017623 21H 1px -0.009369 -0.004562 -0.011615 -0.009858 -0.004309 -0.014507 21H 1py 0.001104 0.006715 -0.005367 0.004367 0.003368 -0.002166 22H 1s -0.022422 -0.008420 -0.025128 -0.010556 -0.017918 -0.006414 22H 2s -0.177516 -0.139958 -0.210866 -0.239619 -0.276073 -0.069184 22H 3s -0.180169 -0.772135 0.073516 -0.058006 -0.009144 -0.137561 22H 1pz 0.012800 0.003827 0.003111 0.017823 0.022649 -0.011945 22H 1px -0.003468 -0.000212 -0.014013 -0.011615 -0.011016 -0.009762 22H 1py 0.005315 -0.004551 -0.007636 -0.008426 -0.006105 -0.012608 23H 1s 0.014918 0.008557 0.000653 -0.020882 0.011747 0.004398 23H 2s 0.133623 0.087476 0.009495 -0.177353 0.130228 0.001261 23H 3s 0.502804 0.633082 -0.208285 -0.016065 0.289459 -0.045485 23H 1pz 0.001303 -0.004033 -0.000524 -0.005890 0.002514 0.001571 23H 1px 0.006892 -0.006469 -0.010071 0.002165 0.013020 0.008227 23H 1py -0.005840 0.003434 -0.000223 0.011439 -0.010866 -0.003726 24H 1s -0.019807 0.001957 0.021311 0.001954 -0.028297 -0.008709 24H 2s -0.236917 0.025263 0.202397 0.130239 -0.406408 -0.200017 24H 3s -0.374401 0.246721 0.384450 0.228013 -0.440926 -0.173663 24H 1pz 0.008917 0.003595 -0.004999 -0.009998 0.017796 0.008231 24H 1px 0.007206 -0.007004 -0.008481 -0.001721 0.019914 0.012725 24H 1py -0.006951 -0.006352 0.003106 0.001544 -0.007315 -0.002670 25H 1s 0.005534 -0.007007 -0.016259 0.021942 0.009893 0.009857 25H 2s 0.057911 -0.104629 -0.171088 0.112503 0.203907 0.184943 25H 3s 0.238899 -0.694858 -0.021561 0.029685 0.418301 -0.051368 25H 1pz 0.004433 0.005031 0.001458 -0.001829 -0.001867 -0.009408 25H 1px 0.001895 0.000922 -0.012535 0.003561 0.010397 0.013593 25H 1py -0.010133 -0.000216 0.007079 0.007663 -0.016395 -0.009029 26O 1s -0.004536 0.013627 0.004304 -0.013165 -0.002152 -0.005752 26O 2s -0.011389 0.033349 0.011170 -0.033259 -0.005402 -0.014046 26O 3s 0.023830 -0.057639 -0.027205 0.068936 0.010683 0.025906 26O 4s 0.002833 -0.081310 0.013667 0.012208 -0.008029 0.021138 26O 5s 0.209850 -0.300203 -0.411406 0.875580 0.316205 0.020708 26O 1pz 0.022506 -0.028995 0.020641 -0.030557 0.016280 0.017419 26O 1px -0.004755 0.003978 -0.010380 0.034687 0.020022 -0.023535 26O 1py -0.045936 -0.033631 -0.016101 0.004725 -0.002278 0.010063 26O 2pz 0.031665 -0.019816 0.005500 -0.042350 -0.016752 -0.005091 26O 2px 0.005097 -0.003561 0.012661 -0.028532 -0.001884 -0.008909 26O 2py -0.053349 -0.026587 -0.014809 -0.011478 -0.002876 0.007503 26O 3pz -0.017696 -0.050676 0.103205 0.067717 0.171334 0.224856 26O 3px -0.098686 -0.006932 0.076900 -0.051888 0.001216 0.065188 26O 3py -0.018911 -0.064063 0.030455 -0.042055 -0.053770 0.155554 26O 1dz2 0.000452 -0.000734 -0.001173 0.000477 -0.001144 -0.000431 26O 1dxz -0.001288 0.001924 -0.000004 -0.000430 0.000101 0.001200 26O 1dyz 0.000210 0.001816 0.001029 -0.000673 0.000104 -0.000385 26O 1dx2y2 -0.002222 -0.000316 -0.000215 -0.001345 -0.000338 0.000440 26O 1dxy 0.000827 0.002001 -0.000194 -0.001901 -0.001177 0.000521 26O 2dz2 0.005500 -0.005926 0.008339 -0.010654 -0.004930 0.005134 26O 2dxz -0.002697 0.002458 -0.000104 -0.001732 0.000666 -0.001783 26O 2dyz -0.000202 0.000220 0.000255 -0.000521 0.003239 0.004878 26O 2dx2y2 -0.001837 0.003143 -0.011058 0.013404 0.001453 -0.008694 26O 2dxy 0.004096 0.004746 -0.005816 0.007562 -0.002522 -0.007082 26O 1f0 0.000230 0.000075 0.000448 0.000100 0.000363 0.000091 26O 1f+1 -0.000358 0.000102 -0.000331 0.000974 0.000642 0.000147 26O 1f-1 -0.000058 -0.000579 0.000112 0.000339 0.000570 0.000555 26O 1f+2 0.000250 0.000363 0.000028 -0.000467 -0.000293 -0.000437 26O 1f-2 -0.000144 -0.000480 -0.000296 0.000498 -0.000164 0.000220 26O 1f+3 -0.000458 -0.000081 -0.000427 0.000631 0.000411 -0.000041 26O 1f-3 0.000431 0.000332 -0.000409 0.000321 -0.000240 -0.000089 27O 1s 0.008299 0.015554 0.012957 -0.001058 0.004767 -0.001341 27O 2s 0.021358 0.038235 0.032752 -0.002423 0.011391 -0.003200 27O 3s -0.048667 -0.067707 -0.066667 0.002471 -0.017723 0.001622 27O 4s 0.022163 -0.081698 -0.003784 0.012682 -0.038259 0.029652 27O 5s -0.894146 -0.511142 -1.279278 -0.162804 0.158023 0.223552 27O 1pz 0.024838 0.000810 0.024955 -0.023735 -0.029028 -0.019315 27O 1px 0.003716 -0.006327 -0.014657 0.010397 0.009582 0.016828 27O 1py -0.000655 0.041550 -0.026425 -0.026152 0.015632 0.016483 27O 2pz 0.017964 0.008404 0.009845 -0.040209 -0.010330 0.004190 27O 2px 0.045886 -0.000341 0.055099 0.008316 -0.003584 -0.012306 27O 2py 0.004748 0.028998 -0.039308 0.003542 -0.018447 0.047062 27O 3pz -0.006990 -0.014606 -0.008855 0.034533 -0.157517 -0.085844 27O 3px 0.299613 0.055626 0.366624 0.174221 -0.213550 -0.123338 27O 3py -0.120234 0.056947 -0.018575 -0.225109 0.333802 -0.097483 27O 1dz2 -0.000617 -0.001900 -0.002581 0.001067 0.000377 0.001472 27O 1dxz -0.001986 0.000996 -0.000442 0.000579 -0.000070 0.000287 27O 1dyz 0.000191 -0.000422 -0.000559 -0.000245 -0.000970 -0.000207 27O 1dx2y2 0.001449 0.001062 0.001854 0.000872 -0.000511 -0.000463 27O 1dxy -0.001521 -0.002798 -0.000485 0.000572 0.001126 -0.001549 27O 2dz2 0.014821 -0.000718 0.018096 0.007158 -0.011328 -0.000224 27O 2dxz 0.002948 0.000985 0.006798 0.006454 -0.003194 -0.006125 27O 2dyz 0.000029 0.001118 0.002127 0.000581 0.004479 0.001213 27O 2dx2y2 -0.021047 0.002669 -0.029387 -0.013176 0.013817 0.018532 27O 2dxy 0.004881 -0.002785 0.008805 0.006561 -0.002842 -0.006411 27O 1f0 -0.000024 0.000387 0.000697 0.000108 0.000334 -0.000310 27O 1f+1 -0.001214 0.000175 -0.001008 -0.000528 0.000451 -0.000115 27O 1f-1 -0.000033 0.000113 -0.000041 0.000314 0.000040 0.000107 27O 1f+2 -0.000332 0.000489 -0.000464 -0.000729 0.000567 0.000731 27O 1f-2 -0.000068 0.000394 0.000374 -0.000393 0.000499 -0.000085 27O 1f+3 -0.000991 -0.000488 -0.001864 -0.000115 -0.000167 0.000800 27O 1f-3 0.000178 -0.000012 0.000574 -0.000042 0.000050 -0.000584 28O 1s -0.003540 -0.004903 -0.010749 0.009736 0.000560 -0.010936 28O 2s -0.009109 -0.012101 -0.026715 0.025020 0.001668 -0.026077 28O 3s 0.021882 0.023348 0.047944 -0.056439 -0.010167 0.033333 28O 4s -0.014319 0.021326 0.039987 0.030054 0.042464 0.136338 28O 5s 0.273187 0.036995 0.842968 -1.314626 -0.037892 0.016823 28O 1pz -0.020970 0.034169 -0.028110 0.025500 0.019082 0.005555 28O 1px 0.008863 0.013056 -0.035591 0.003245 -0.015840 0.001769 28O 1py 0.006799 0.000392 0.009193 0.020836 -0.035071 0.014894 28O 2pz -0.022281 0.052774 -0.069431 0.051621 -0.021141 -0.012829 28O 2px 0.006820 -0.000168 0.008359 -0.043218 0.000201 0.002728 28O 2py 0.016521 0.004786 -0.000744 0.017728 -0.049865 0.003203 28O 3pz -0.102698 -0.046587 -0.077923 0.320812 0.168256 0.124739 28O 3px 0.088426 -0.078472 0.210874 -0.297587 0.071403 0.088255 28O 3py -0.012940 -0.077700 0.076982 0.065077 0.013699 0.105286 28O 1dz2 0.000307 -0.002338 0.001663 0.000853 0.000736 0.000638 28O 1dxz 0.001548 0.001572 0.002076 -0.001734 -0.000768 0.001052 28O 1dyz 0.000925 -0.000956 -0.001948 -0.000115 0.000051 -0.000551 28O 1dx2y2 0.000132 0.000803 -0.001334 0.000896 -0.001847 -0.001438 28O 1dxy -0.000930 0.001736 0.000732 0.000274 -0.000069 -0.000273 28O 2dz2 0.000385 -0.001879 0.002600 -0.003251 -0.003669 -0.002548 28O 2dxz -0.002539 0.012449 -0.018542 0.027789 -0.009861 -0.003060 28O 2dyz 0.003887 -0.001700 0.002079 -0.005761 -0.003667 -0.002067 28O 2dx2y2 -0.000670 -0.005783 0.010386 -0.020966 0.003338 0.001780 28O 2dxy 0.002164 0.002792 0.005013 -0.000001 -0.001081 0.000384 28O 1f0 -0.000347 -0.000293 0.000409 -0.000793 0.000692 0.000495 28O 1f+1 0.000273 -0.000433 0.000588 -0.000545 -0.000020 -0.000003 28O 1f-1 -0.000489 0.000207 0.000462 -0.000093 0.000123 0.000472 28O 1f+2 0.000038 0.000663 -0.001429 0.001554 -0.000444 -0.000509 28O 1f-2 0.000394 -0.000056 -0.000183 -0.000440 -0.000468 -0.000125 28O 1f+3 -0.000234 0.000586 -0.000255 0.001095 0.000160 -0.000139 28O 1f-3 0.000147 -0.000054 -0.000193 -0.000102 -0.000328 -0.000034 29O 1s 0.000575 0.009792 0.000862 0.002181 0.001515 0.003093 29O 2s 0.001453 0.023864 0.002222 0.005743 0.003672 0.007569 29O 3s -0.003441 -0.037407 -0.006137 -0.017144 -0.006175 -0.012687 29O 4s 0.002740 -0.075722 0.003388 0.015334 -0.005312 -0.018627 29O 5s -0.045834 -0.214581 -0.041214 -0.144207 -0.053240 -0.082576 29O 1pz -0.007092 -0.045430 -0.024944 0.039689 -0.000110 -0.006327 29O 1px -0.033549 0.082900 -0.039463 -0.064264 -0.023244 0.012545 29O 1py -0.009808 0.008442 -0.000791 0.008078 -0.029960 -0.009734 29O 2pz -0.013591 -0.040950 -0.036883 0.041805 0.002290 0.001556 29O 2px -0.035179 0.058440 -0.043348 -0.059381 -0.032530 0.006661 29O 2py -0.015773 0.014469 -0.006175 -0.003129 -0.036032 -0.012689 29O 3pz -0.068406 -0.144487 -0.152776 0.138059 -0.029700 0.043226 29O 3px -0.073960 0.189555 -0.087779 -0.045941 0.014109 0.079090 29O 3py 0.041719 0.050131 0.035584 0.037812 0.013472 0.017687 29O 1dz2 -0.000578 -0.001764 -0.001886 0.001735 -0.000180 0.001107 29O 1dxz 0.001152 -0.000195 0.002416 -0.000718 0.000677 -0.001596 29O 1dyz -0.001282 -0.001120 -0.002679 0.001488 -0.000113 0.001529 29O 1dx2y2 -0.000242 0.002281 0.000440 -0.000636 -0.000184 -0.000102 29O 1dxy -0.000829 -0.000967 -0.001336 0.000840 -0.001147 0.000331 29O 2dz2 0.001487 -0.007257 -0.001389 0.007388 0.000235 0.000454 29O 2dxz 0.002000 -0.004150 0.007056 0.001349 0.003395 -0.002267 29O 2dyz 0.002373 0.000806 0.001911 -0.000572 0.001489 -0.000824 29O 2dx2y2 0.000614 0.006343 0.002013 0.000799 -0.001269 0.000295 29O 2dxy -0.002659 0.001653 -0.004062 -0.009172 -0.004078 -0.002012 29O 1f0 -0.000123 0.000257 -0.000482 0.000002 0.000077 0.000271 29O 1f+1 -0.000278 0.000053 -0.000156 -0.000062 -0.000129 -0.000035 29O 1f-1 -0.000416 0.001111 -0.000544 -0.000812 -0.000199 0.000252 29O 1f+2 -0.000082 -0.000419 -0.000218 0.000210 -0.000104 -0.000006 29O 1f-2 0.000114 0.001133 0.000024 -0.000970 -0.000251 -0.000082 29O 1f+3 0.000176 -0.000553 0.000250 0.000430 0.000417 0.000009 29O 1f-3 -0.000361 0.000369 -0.000320 -0.000052 -0.000078 0.000163 30O 1s -0.006421 -0.006618 -0.012007 -0.004375 0.012283 0.000554 30O 2s -0.016041 -0.016371 -0.030228 -0.010211 0.029508 0.001335 30O 3s 0.028601 0.030984 0.060177 0.007209 -0.040277 -0.000163 30O 4s 0.027167 0.023592 0.026767 0.074974 -0.133442 -0.014478 30O 5s 0.606489 0.241854 0.906701 0.118180 -0.253615 -0.157250 30O 1pz 0.002397 0.019535 -0.017813 0.038256 -0.013560 -0.018672 30O 1px -0.041520 0.004011 -0.042709 -0.033710 -0.001085 0.003324 30O 1py 0.021672 -0.014700 0.004170 0.015082 0.001168 -0.042307 30O 2pz -0.027851 0.021057 -0.039521 0.016691 0.003905 -0.023854 30O 2px -0.001037 0.001185 0.011462 0.000575 -0.010565 -0.019536 30O 2py 0.049389 -0.029537 0.034017 0.055715 -0.027873 -0.038141 30O 3pz -0.061993 -0.019424 -0.116004 0.078528 -0.018868 0.070170 30O 3px 0.094711 -0.058012 0.100701 0.070985 -0.170672 -0.058149 30O 3py 0.062550 0.118634 0.086828 -0.151897 0.099081 -0.226130 30O 1dz2 -0.000534 -0.001256 0.002010 -0.000065 -0.000385 -0.000442 30O 1dxz 0.001899 0.000606 0.000665 0.000524 -0.001058 0.000543 30O 1dyz 0.001070 0.002433 0.000893 0.001779 -0.000990 0.000147 30O 1dx2y2 -0.000683 0.002018 0.000399 -0.001633 0.001673 0.000943 30O 1dxy 0.000293 -0.001970 -0.001840 0.000078 0.000238 0.001461 30O 2dz2 -0.006978 -0.001058 -0.004719 -0.002718 -0.000197 0.003528 30O 2dxz -0.011887 0.002666 -0.016530 -0.001513 0.005441 0.011282 30O 2dyz -0.007906 0.004005 -0.009328 -0.004482 0.004155 0.005022 30O 2dx2y2 0.007274 -0.001751 0.010502 0.006171 -0.009002 -0.002194 30O 2dxy 0.013990 -0.005778 0.012291 0.009575 -0.009027 -0.009748 30O 1f0 0.000006 -0.000399 0.000487 -0.000222 -0.000106 -0.001016 30O 1f+1 -0.000211 -0.000007 0.000208 -0.000137 0.000003 -0.000340 30O 1f-1 -0.000339 -0.000252 0.000058 -0.000650 0.000247 -0.000099 30O 1f+2 -0.000649 -0.000067 -0.000982 -0.000551 0.000753 0.000362 30O 1f-2 -0.000868 0.000289 -0.000555 -0.000277 0.000574 0.000225 30O 1f+3 0.000168 0.000165 0.000086 0.000228 0.000039 -0.000022 30O 1f-3 -0.001073 0.000304 -0.000822 -0.000789 0.000929 -0.000066 31O 1s -0.007108 0.005368 -0.012038 -0.004770 -0.012140 -0.000532 31O 2s -0.017742 0.013245 -0.030295 -0.011162 -0.029175 -0.001301 31O 3s 0.031954 -0.025243 0.060195 0.008566 0.040040 0.000383 31O 4s 0.029318 -0.019239 0.027708 0.078767 0.131174 0.012874 31O 5s 0.620658 -0.129936 0.897408 0.125169 0.248744 0.165359 31O 1pz -0.004258 0.019236 0.017548 -0.039265 -0.012328 -0.017643 31O 1px 0.040236 0.010323 0.042236 0.033249 -0.002020 0.003857 31O 1py -0.018362 -0.018831 -0.003707 -0.015240 0.001371 -0.041997 31O 2pz 0.025230 0.025499 0.039474 -0.017436 0.004738 -0.022719 31O 2px 0.001154 0.000966 -0.011184 -0.001188 -0.010525 -0.018716 31O 2py -0.043102 -0.037797 -0.033517 -0.055767 -0.026103 -0.038197 31O 3pz 0.062539 -0.007383 0.110845 -0.079308 -0.016850 0.071375 31O 3px -0.080920 -0.076694 -0.099347 -0.074795 -0.167365 -0.056820 31O 3py -0.076200 0.102915 -0.081460 0.149493 0.092741 -0.223999 31O 1dz2 -0.000703 0.001153 0.002004 -0.000081 0.000353 0.000447 31O 1dxz 0.001935 -0.000304 0.000647 0.000542 0.001058 -0.000552 31O 1dyz 0.001376 -0.002219 0.000894 0.001838 0.000936 -0.000171 31O 1dx2y2 -0.000340 -0.002145 0.000404 -0.001668 -0.001635 -0.000892 31O 1dxy 0.000034 0.001939 -0.001815 0.000040 -0.000228 -0.001447 31O 2dz2 -0.006964 -0.000190 -0.004639 -0.002787 0.000259 -0.003450 31O 2dxz -0.011148 -0.004562 -0.016251 -0.001726 -0.005411 -0.011318 31O 2dyz -0.007033 -0.005469 -0.009130 -0.004534 -0.003988 -0.005048 31O 2dx2y2 0.006781 0.002916 0.010400 0.006366 0.008792 0.002170 31O 2dxy 0.012690 0.007987 0.011971 0.009664 0.008721 0.009564 31O 1f0 0.000068 -0.000411 -0.000468 0.000214 -0.000109 -0.001000 31O 1f+1 0.000209 0.000025 -0.000198 0.000128 0.000002 -0.000340 31O 1f-1 0.000369 -0.000199 -0.000050 0.000658 0.000232 -0.000109 31O 1f+2 0.000636 0.000029 0.000980 0.000580 0.000725 0.000364 31O 1f-2 0.000794 0.000442 0.000541 0.000292 0.000564 0.000227 31O 1f+3 -0.000184 0.000132 -0.000090 -0.000228 0.000046 -0.000028 31O 1f-3 0.000999 0.000459 0.000818 0.000802 0.000899 -0.000070 32O 1s 0.002090 -0.009499 0.000980 0.002140 -0.001559 -0.003073 32O 2s 0.005148 -0.023151 0.002513 0.005642 -0.003795 -0.007534 32O 3s -0.009347 0.036195 -0.006713 -0.016902 0.006623 0.012843 32O 4s -0.008489 0.074225 0.002968 0.015173 0.004377 0.017531 32O 5s -0.079213 0.204125 -0.044191 -0.142839 0.058527 0.085252 32O 1pz 0.012009 -0.044621 0.025344 -0.038942 0.001427 -0.005184 32O 1px 0.021186 0.087382 0.039584 0.062609 -0.024353 0.012092 32O 1py 0.009763 0.010420 0.002152 -0.010156 -0.030359 -0.008832 32O 2pz 0.017304 -0.039695 0.036957 -0.041265 0.004306 0.003165 32O 2px 0.026427 0.063573 0.043568 0.057330 -0.033449 0.006540 32O 2py 0.015262 0.017358 0.008086 0.000438 -0.036707 -0.011674 32O 3pz 0.086354 -0.135373 0.152999 -0.138006 -0.024148 0.049836 32O 3px 0.042884 0.196928 0.084857 0.046796 0.013905 0.079429 32O 3py -0.046315 0.041567 -0.032144 -0.040167 0.014160 0.019784 32O 1dz2 -0.000713 0.001652 -0.001744 0.001668 0.000087 -0.001124 32O 1dxz 0.001097 0.000296 0.002454 -0.000782 -0.000645 0.001702 32O 1dyz -0.001383 0.000974 -0.002692 0.001536 0.000031 -0.001661 32O 1dx2y2 0.000113 -0.002341 0.000507 -0.000650 0.000198 0.000163 32O 1dxy -0.000916 0.000800 -0.001250 0.000847 0.001112 -0.000359 32O 2dz2 0.000472 0.007564 -0.001398 0.007299 -0.000313 -0.000612 32O 2dxz 0.001357 0.004311 0.007203 0.001269 -0.003487 0.002222 32O 2dyz 0.002604 -0.000225 0.001921 -0.000364 -0.001321 0.001036 32O 2dx2y2 0.001374 -0.006235 0.001953 0.001085 0.001172 -0.000443 32O 2dxy -0.002537 -0.002174 -0.004094 -0.008786 0.004287 0.002120 32O 1f0 0.000071 0.000198 0.000458 -0.000054 0.000102 0.000269 32O 1f+1 0.000268 0.000043 0.000144 0.000015 -0.000123 -0.000030 32O 1f-1 0.000278 0.001175 0.000586 0.000779 -0.000207 0.000270 32O 1f+2 0.000130 -0.000452 0.000207 -0.000246 -0.000096 -0.000005 32O 1f-2 -0.000244 0.001111 0.000009 0.000945 -0.000298 -0.000115 32O 1f+3 -0.000117 -0.000565 -0.000264 -0.000378 0.000427 0.000008 32O 1f-3 0.000291 0.000422 0.000299 0.000046 -0.000059 0.000177 33O 1s -0.004438 0.004651 -0.010684 0.009812 -0.000817 0.010433 33O 2s -0.011316 0.011435 -0.026549 0.025188 -0.002329 0.024789 33O 3s 0.025943 -0.021372 0.047555 -0.056421 0.011661 -0.030387 33O 4s -0.009554 -0.024309 0.040208 0.027535 -0.043333 -0.137778 33O 5s 0.281733 -0.024758 0.837611 -1.304879 0.072595 0.032524 33O 1pz 0.015672 0.037442 0.028181 -0.025124 0.019908 0.007427 33O 1px -0.010690 0.010204 0.035758 -0.003065 -0.015951 0.001024 33O 1py -0.006663 -0.000836 -0.009407 -0.021099 -0.034518 0.014959 33O 2pz 0.015281 0.054199 0.069286 -0.052630 -0.019186 -0.010292 33O 2px -0.006825 -0.000717 -0.008214 0.043296 -0.000571 0.001337 33O 2py -0.016673 0.002227 0.000770 -0.018842 -0.049628 0.003240 33O 3pz 0.102214 -0.031211 0.077829 -0.306474 0.174786 0.135601 33O 3px -0.078038 -0.085104 -0.210021 0.298122 0.063061 0.076192 33O 3py 0.022188 -0.075002 -0.077410 -0.060919 0.016250 0.107819 33O 1dz2 -0.000033 0.002403 0.001680 0.000792 -0.000777 -0.000622 33O 1dxz 0.001763 -0.001365 0.002092 -0.001667 0.000821 -0.000954 33O 1dyz 0.000756 0.001095 -0.001952 -0.000103 -0.000023 0.000557 33O 1dx2y2 0.000208 -0.000731 -0.001335 0.000947 0.001825 0.001400 33O 1dxy -0.000671 -0.001815 0.000742 0.000286 0.000053 0.000310 33O 2dz2 0.000085 0.002067 0.002588 -0.003058 0.003706 0.002688 33O 2dxz -0.000774 -0.011917 -0.018435 0.027760 0.009210 0.002466 33O 2dyz 0.003594 0.002220 0.002064 -0.005801 0.003896 0.002385 33O 2dx2y2 -0.001496 0.005117 0.010416 -0.020855 -0.002978 -0.001459 33O 2dxy 0.002592 -0.002382 0.004932 0.000056 0.001148 -0.000221 33O 1f0 0.000365 -0.000200 -0.000406 0.000817 0.000669 0.000490 33O 1f+1 -0.000211 -0.000463 -0.000578 0.000534 -0.000041 -0.000046 33O 1f-1 0.000432 0.000301 -0.000459 0.000108 0.000117 0.000491 33O 1f+2 -0.000116 0.000612 0.001425 -0.001565 -0.000411 -0.000468 33O 1f-2 -0.000380 -0.000126 0.000178 0.000432 -0.000489 -0.000144 33O 1f+3 0.000150 0.000582 0.000256 -0.001085 0.000186 -0.000126 33O 1f-3 -0.000128 -0.000069 0.000184 0.000091 -0.000329 -0.000024 34O 1s 0.010421 -0.014066 0.012799 -0.001044 -0.004788 0.001647 34O 2s 0.026559 -0.034436 0.032367 -0.002377 -0.011451 0.003983 34O 3s -0.057745 0.059405 -0.066100 0.002301 0.017969 -0.003461 34O 4s 0.010006 0.083444 -0.002388 0.013168 0.037825 -0.028573 34O 5s -0.947183 0.369214 -1.270620 -0.177638 -0.153431 -0.242873 34O 1pz -0.024058 -0.001715 -0.025246 0.022670 -0.029962 -0.019961 34O 1px -0.002994 -0.005500 0.014393 -0.009979 0.009908 0.016402 34O 1py -0.005388 0.041649 0.025816 0.025818 0.014452 0.015421 34O 2pz -0.018991 0.006967 -0.010357 0.039872 -0.011896 0.002991 34O 2px -0.045017 -0.006653 -0.054696 -0.008734 -0.003584 -0.013130 34O 2py -0.008854 0.028979 0.038207 -0.004110 -0.018928 0.046132 34O 3pz 0.012848 -0.011483 0.008564 -0.040715 -0.156166 -0.083068 34O 3px -0.298684 0.013746 -0.363475 -0.182451 -0.210342 -0.125625 34O 3py 0.107782 0.070369 0.019992 0.230525 0.328498 -0.098987 34O 1dz2 -0.000848 0.001803 -0.002570 0.001016 -0.000404 -0.001526 34O 1dxz -0.001819 -0.001225 -0.000442 0.000602 0.000032 -0.000313 34O 1dyz 0.000111 0.000391 -0.000546 -0.000223 0.000972 0.000229 34O 1dx2y2 0.001574 -0.000814 0.001824 0.000879 0.000491 0.000490 34O 1dxy -0.001888 0.002556 -0.000502 0.000533 -0.001153 0.001505 34O 2dz2 0.014382 0.002833 0.017984 0.007417 0.011261 0.000317 34O 2dxz 0.003031 -0.000363 0.006713 0.006580 0.002985 0.005976 34O 2dyz 0.000198 -0.001227 0.002141 0.000503 -0.004528 -0.001233 34O 2dx2y2 -0.020068 -0.005928 -0.029059 -0.013724 -0.013642 -0.018438 34O 2dxy 0.004260 0.003522 0.008715 0.006689 0.002697 0.006280 34O 1f0 -0.000035 0.000373 -0.000689 -0.000101 0.000339 -0.000299 34O 1f+1 0.001165 0.000346 0.000997 0.000531 0.000447 -0.000101 34O 1f-1 0.000017 0.000113 0.000043 -0.000316 0.000049 0.000113 34O 1f+2 0.000257 0.000548 0.000460 0.000740 0.000546 0.000720 34O 1f-2 0.000007 0.000373 -0.000366 0.000407 0.000487 -0.000087 34O 1f+3 0.001035 -0.000318 0.001842 0.000127 -0.000154 0.000818 34O 1f-3 -0.000160 -0.000028 -0.000564 0.000031 0.000049 -0.000585 35O 1s -0.002724 -0.014585 0.004370 -0.012667 0.002426 0.005884 35O 2s -0.006947 -0.035770 0.011326 -0.032046 0.006117 0.014403 35O 3s 0.016069 0.062764 -0.027384 0.066971 -0.012492 -0.026984 35O 4s -0.007334 0.081246 0.012699 0.008839 0.009484 -0.019318 35O 5s 0.164319 0.367190 -0.412337 0.856129 -0.337711 -0.037150 35O 1pz -0.018880 -0.030346 -0.020469 0.031162 0.015618 0.017176 35O 1px 0.004110 0.004248 0.010443 -0.034459 0.020478 -0.021795 35O 1py 0.050400 -0.026002 0.015919 -0.004508 -0.001339 0.010979 35O 2pz -0.028932 -0.022881 -0.005552 0.041630 -0.017951 -0.005670 35O 2px -0.004615 -0.002594 -0.012874 0.027808 -0.002675 -0.008299 35O 2py 0.056808 -0.017695 0.014489 0.011503 -0.001920 0.007491 35O 3pz 0.020587 -0.044466 -0.101350 -0.060193 0.172878 0.225931 35O 3px 0.096691 0.019258 -0.076257 0.049734 0.001816 0.068876 35O 3py 0.026033 -0.052957 -0.031307 0.041878 -0.055016 0.160220 35O 1dz2 0.000319 0.000825 -0.001174 0.000490 0.001149 0.000434 35O 1dxz -0.000979 -0.002089 -0.000006 -0.000423 -0.000080 -0.001170 35O 1dyz 0.000460 -0.001749 0.001025 -0.000652 -0.000097 0.000434 35O 1dx2y2 -0.002237 -0.000093 -0.000214 -0.001304 0.000344 -0.000467 35O 1dxy 0.001105 -0.001939 -0.000167 -0.001846 0.001228 -0.000511 35O 2dz2 0.004629 0.006149 0.008386 -0.010410 0.005134 -0.004992 35O 2dxz -0.002423 -0.002852 -0.000097 -0.001710 -0.000678 0.001735 35O 2dyz -0.000150 -0.000014 0.000260 -0.000674 -0.003191 -0.004701 35O 2dx2y2 -0.001347 -0.002601 -0.011074 0.013194 -0.001610 0.008521 35O 2dxy 0.004620 -0.003399 -0.005861 0.007590 0.002510 0.007106 35O 1f0 -0.000236 0.000031 -0.000452 -0.000086 0.000370 0.000079 35O 1f+1 0.000331 0.000121 0.000337 -0.000938 0.000657 0.000166 35O 1f-1 0.000133 -0.000585 -0.000104 -0.000308 0.000570 0.000572 35O 1f+2 -0.000301 0.000321 -0.000025 0.000450 -0.000312 -0.000461 35O 1f-2 0.000204 -0.000446 0.000295 -0.000494 -0.000156 0.000258 35O 1f+3 0.000452 -0.000036 0.000428 -0.000597 0.000422 -0.000034 35O 1f-3 -0.000465 0.000221 0.000409 -0.000324 -0.000240 -0.000091 156 157 158 159 160 161 0.22757 0.23121 0.23634 0.24808 0.25540 0.25607 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s -0.000289 -0.001774 -0.000274 -0.008004 -0.000281 -0.004778 0Rh 2s 0.001089 0.006176 0.001110 0.027630 0.001522 0.018933 0Rh 3s -0.001008 -0.006492 -0.000905 -0.029439 -0.000690 -0.016064 0Rh 4s -0.004786 -0.026891 -0.004933 -0.120255 -0.006949 -0.083754 0Rh 5s 0.003805 0.017198 0.004779 0.074189 0.009782 0.074666 0Rh 6s 0.008635 0.064853 0.005341 0.302982 -0.004211 0.122539 0Rh 7s -0.042463 0.051917 0.066038 -1.552940 0.621586 -0.506908 0Rh 8s 0.167415 -0.539282 -0.166598 1.929697 -1.263763 1.923944 0Rh 1pz -0.000283 -0.003151 0.001920 -0.006420 0.000665 0.003432 0Rh 1px 0.000305 -0.000148 -0.004782 0.021076 -0.005874 0.012287 0Rh 1py -0.000603 -0.000368 0.004565 0.003571 -0.005187 0.000231 0Rh 2pz 0.000976 0.010755 -0.006587 0.022280 -0.002300 -0.011753 0Rh 2px -0.001024 0.000514 0.016461 -0.073025 0.020444 -0.042314 0Rh 2py 0.002012 0.001241 -0.015668 -0.012389 0.017860 -0.000786 0Rh 3pz -0.000965 -0.008388 0.005837 -0.024161 0.002305 0.009685 0Rh 3px 0.000423 -0.000626 -0.015478 0.077131 -0.023303 0.039876 0Rh 3py -0.000621 -0.000649 0.013911 0.013338 -0.016800 0.000594 0Rh 4pz -0.000791 -0.017781 0.008296 -0.012716 0.002380 0.018068 0Rh 4px 0.003458 0.000509 -0.017965 0.048875 -0.006978 0.045796 0Rh 4py -0.007432 -0.003538 0.018909 0.007553 -0.018775 0.001389 0Rh 5pz -0.000748 0.000013 0.003133 -0.032392 -0.001661 0.003830 0Rh 5px -0.005126 -0.006646 -0.009944 0.096866 -0.041674 0.031784 0Rh 5py 0.007049 0.003987 0.020032 0.016243 -0.021929 -0.001395 0Rh 6pz -0.015788 0.141501 -0.139661 0.259921 -0.005363 -0.338244 0Rh 6px 0.002072 0.079520 0.154603 -0.853185 0.202605 -0.951835 0Rh 6py 0.145447 -0.127550 -0.475994 -0.106560 0.354936 -0.022943 0Rh 1dz2 -0.000234 -0.000604 -0.000334 0.006091 -0.005408 0.001542 0Rh 1dxz -0.000370 0.010754 -0.001824 0.005544 0.001729 0.000763 0Rh 1dyz 0.005718 0.003208 0.003414 -0.000568 -0.009216 -0.004748 0Rh 1dx2y2 0.000426 -0.001250 -0.001753 -0.014991 -0.009430 -0.005815 0Rh 1dxy 0.002415 -0.000042 -0.015380 -0.003895 0.004497 -0.000522 0Rh 2dz2 0.000667 0.000159 -0.000121 -0.000376 0.000446 0.000121 0Rh 2dxz 0.000309 -0.000476 -0.000174 -0.000196 -0.000151 -0.000255 0Rh 2dyz 0.000446 0.000196 -0.000649 0.000080 0.000567 0.000005 0Rh 2dx2y2 0.000499 0.000157 0.000246 0.000869 0.000499 0.000426 0Rh 2dxy 0.000220 -0.000050 0.000361 0.000131 -0.000204 0.000419 0Rh 3dz2 -0.002265 0.000460 0.001115 -0.009214 0.007793 -0.003145 0Rh 3dxz -0.000573 -0.017137 0.003976 -0.008950 -0.002457 -0.000225 0Rh 3dyz -0.011931 -0.006456 -0.003461 0.000681 0.013940 0.008404 0Rh 3dx2y2 -0.002761 0.001521 0.002058 0.022929 0.014715 0.008433 0Rh 3dxy -0.005175 0.000244 0.025880 0.006309 -0.007318 -0.000848 0Rh 4dz2 0.008543 0.002885 -0.001314 -0.012964 0.013663 -0.001405 0Rh 4dxz 0.004015 -0.020313 0.000464 -0.010065 -0.003833 -0.005120 0Rh 4dyz -0.001990 -0.001971 -0.012735 0.002079 0.021812 0.006732 0Rh 4dx2y2 0.005472 0.003389 0.005675 0.031539 0.019237 0.014838 0Rh 4dxy -0.000223 -0.000292 0.025051 0.007274 -0.007471 0.006362 0Rh 5dz2 -0.031557 -0.013924 0.018799 0.004621 -0.015828 0.003521 0Rh 5dxz -0.009516 -0.018309 0.012253 -0.000848 -0.010655 0.021949 0Rh 5dyz -0.044853 -0.034353 0.041529 -0.002550 -0.023541 0.017797 0Rh 5dx2y2 -0.026782 0.001263 -0.005767 -0.006579 0.013976 -0.026326 0Rh 5dxy -0.024099 -0.003707 0.049545 -0.001248 -0.015087 -0.023306 0Rh 1f0 0.000681 0.000560 0.001477 0.003058 -0.000051 0.002039 0Rh 1f+1 -0.000533 0.000200 -0.000299 -0.002671 0.000877 0.002686 0Rh 1f-1 0.000666 -0.001649 0.003799 0.000037 0.000381 0.001018 0Rh 1f+2 0.001285 -0.000362 0.001689 -0.004546 -0.000307 -0.004096 0Rh 1f-2 -0.000207 0.001976 -0.001850 -0.002710 -0.004546 -0.002750 0Rh 1f+3 -0.000287 -0.001570 0.000246 -0.004610 0.000802 0.001747 0Rh 1f-3 -0.000021 -0.001641 0.001801 -0.002594 0.001864 -0.002521 1Rh 1s 0.000337 -0.001703 -0.000252 -0.007983 0.001351 0.004692 1Rh 2s -0.001254 0.005900 0.001029 0.027543 -0.004964 -0.018690 1Rh 3s 0.001185 -0.006248 -0.000831 -0.029369 0.004782 0.015710 1Rh 4s 0.005504 -0.025676 -0.004573 -0.119870 0.021755 0.082735 1Rh 5s -0.004241 0.016166 0.004484 0.073818 -0.015989 -0.074674 1Rh 6s -0.010457 0.062913 0.004716 0.302550 -0.045480 -0.117307 1Rh 7s 0.039222 0.058425 0.067258 -1.552029 0.750479 0.266979 1Rh 8s -0.146437 -0.569607 -0.169475 1.918819 -1.802525 -1.367494 1Rh 1pz -0.000473 0.003121 -0.001875 0.006442 0.000552 0.003410 1Rh 1px 0.000431 0.000281 0.004855 -0.021022 0.009710 0.009551 1Rh 1py -0.000758 0.000228 -0.004607 -0.003554 0.005096 -0.001499 1Rh 2pz 0.001624 -0.010649 0.006435 -0.022355 -0.001867 -0.011684 1Rh 2px -0.001456 -0.000970 -0.016712 0.072838 -0.033641 -0.032821 1Rh 2py 0.002544 -0.000765 0.015812 0.012327 -0.017546 0.005170 1Rh 3pz -0.001462 0.008255 -0.005692 0.024226 0.001130 0.009774 1Rh 3px 0.000785 0.001011 0.015696 -0.076945 0.035521 0.029563 1Rh 3py -0.001036 0.000268 -0.014044 -0.013267 0.016469 -0.005012 1Rh 4pz -0.001896 0.017810 -0.008135 0.012824 0.004057 0.017539 1Rh 4px 0.004114 0.000178 0.018301 -0.048729 0.022049 0.040690 1Rh 4py -0.008313 0.002758 -0.019063 -0.007540 0.018597 -0.004869 1Rh 5pz -0.000585 -0.000286 -0.002957 0.032398 0.002572 0.003150 1Rh 5px -0.005391 0.006450 0.010034 -0.096567 0.050515 0.015436 1Rh 5py 0.006979 -0.004017 -0.020117 -0.016060 0.020828 -0.008600 1Rh 6pz -0.009344 -0.145049 0.133250 -0.260728 -0.106935 -0.320684 1Rh 6px 0.002552 -0.086977 -0.159858 0.846342 -0.520975 -0.821535 1Rh 6py 0.147845 0.141890 0.473965 0.102962 -0.356775 0.090153 1Rh 1dz2 0.000173 -0.000588 -0.000403 0.006094 -0.005820 0.000150 1Rh 1dxz -0.000176 0.010771 -0.001857 0.005487 0.001345 -0.001615 1Rh 1dyz -0.005641 0.002726 0.003633 -0.000501 -0.006976 0.007483 1Rh 1dx2y2 -0.000534 -0.001293 -0.001698 -0.014915 -0.006660 0.008682 1Rh 1dxy -0.002934 -0.000191 -0.015370 -0.003926 0.004502 -0.000715 1Rh 2dz2 -0.000685 0.000089 -0.000090 -0.000375 0.000366 -0.000248 1Rh 2dxz -0.000288 -0.000511 -0.000157 -0.000190 -0.000057 0.000312 1Rh 2dyz -0.000505 0.000152 -0.000632 0.000083 0.000528 -0.000201 1Rh 2dx2y2 -0.000495 0.000110 0.000273 0.000868 0.000323 -0.000575 1Rh 2dxy -0.000211 -0.000083 0.000368 0.000130 -0.000339 -0.000332 1Rh 3dz2 0.002446 0.000713 0.001112 -0.009225 0.008823 0.000661 1Rh 3dxz 0.001462 -0.017031 0.003970 -0.008878 -0.002186 0.001514 1Rh 3dyz 0.012036 -0.005420 -0.003917 0.000552 0.010134 -0.012424 1Rh 3dx2y2 0.002935 0.001789 0.001850 0.022801 0.010565 -0.012927 1Rh 3dxy 0.006060 0.000640 0.025835 0.006368 -0.006746 0.002738 1Rh 4dz2 -0.008699 0.001997 -0.000837 -0.012954 0.013448 -0.002788 1Rh 4dxz -0.003024 -0.020726 0.000703 -0.009918 -0.001890 0.006793 1Rh 4dyz 0.001127 -0.001906 -0.012815 0.002020 0.018061 -0.013629 1Rh 4dx2y2 -0.005259 0.002865 0.005932 0.031426 0.012744 -0.020564 1Rh 4dxy 0.001010 -0.000514 0.025149 0.007306 -0.009363 -0.003972 1Rh 5dz2 0.033863 -0.010484 0.017465 0.004516 -0.014455 0.002186 1Rh 5dxz 0.010422 -0.017189 0.011657 -0.000857 -0.016685 -0.017021 1Rh 5dyz 0.050052 -0.029931 0.039790 -0.002889 -0.028182 -0.008012 1Rh 5dx2y2 0.026985 0.003997 -0.007234 -0.006807 0.020627 0.020321 1Rh 5dxy 0.026695 -0.001255 0.048843 -0.001124 -0.006570 0.026429 1Rh 1f0 0.000635 -0.000534 -0.001485 -0.003050 0.000806 0.001953 1Rh 1f+1 -0.000478 -0.000246 0.000341 0.002688 0.000128 0.002804 1Rh 1f-1 0.000432 0.001630 -0.003835 -0.000016 0.000031 0.001074 1Rh 1f+2 0.001193 0.000446 -0.001737 0.004510 -0.001161 -0.003985 1Rh 1f-2 0.000052 -0.002076 0.001820 0.002704 0.003357 -0.004058 1Rh 1f+3 -0.000345 0.001566 -0.000205 0.004620 -0.000230 0.001860 1Rh 1f-3 -0.000209 0.001598 -0.001860 0.002587 -0.002557 -0.001767 2C 1s 0.001672 0.003776 -0.004602 -0.008772 -0.000014 -0.002456 2C 2s 0.003413 0.008077 -0.009567 -0.019300 0.000040 -0.005235 2C 3s 0.000209 -0.002754 -0.009908 0.009991 0.001964 -0.002204 2C 4s -0.067547 -0.114827 0.229259 0.290452 0.002879 0.101832 2C 5s 0.202527 0.148991 -0.490255 -2.160523 -1.181336 0.277380 2C 1pz 0.027214 -0.000731 0.043331 0.008658 0.060071 0.002889 2C 1px -0.018273 -0.027956 0.042787 0.011572 0.006216 0.055486 2C 1py -0.047477 -0.060706 0.020081 0.003784 0.015991 0.005993 2C 2pz 0.047585 0.025260 0.044008 0.023871 0.044357 0.013133 2C 2px -0.003525 -0.022749 0.033095 0.017744 -0.027104 0.017583 2C 2py -0.065650 -0.082097 0.044466 0.010331 -0.013957 0.022278 2C 3pz -0.807964 -0.952895 0.109645 -0.960060 -0.297791 0.207383 2C 3px 0.428633 0.530919 -0.968284 -0.578684 0.635269 -0.708671 2C 3py 1.102842 1.053391 0.271803 -0.605921 0.369951 -0.010587 2C 1dz2 0.001770 0.004092 -0.001221 0.004491 0.000415 0.000176 2C 1dxz -0.004474 -0.006945 -0.003773 0.000766 -0.004831 -0.002909 2C 1dyz -0.004453 -0.004060 0.003415 0.008904 -0.006100 0.004726 2C 1dx2y2 -0.008137 -0.007168 0.006742 0.000254 -0.001654 0.006344 2C 1dxy 0.010583 0.007586 0.005368 0.002647 -0.001860 0.000676 2C 2dz2 0.031185 0.043324 -0.017038 -0.002210 -0.008325 -0.010639 2C 2dxz 0.016272 0.011927 0.049872 0.010410 -0.025329 0.047837 2C 2dyz 0.011156 0.026844 -0.046519 -0.011888 -0.017362 -0.038726 2C 2dx2y2 0.045571 0.027701 -0.004660 -0.003373 0.029167 -0.023869 2C 2dxy -0.044750 -0.049191 -0.004176 -0.001672 -0.021549 0.000805 2C 1f0 0.007804 0.007752 -0.000690 -0.000025 0.002211 -0.002456 2C 1f+1 -0.002704 -0.001778 -0.003759 -0.000857 -0.002229 -0.002736 2C 1f-1 -0.002745 -0.002024 0.001879 0.002048 -0.001134 0.002718 2C 1f+2 -0.001510 -0.001620 0.002645 -0.000137 -0.000306 0.004353 2C 1f-2 0.002246 -0.000130 0.006502 0.001914 0.000000 0.003957 2C 1f+3 0.005602 0.005968 -0.000335 -0.000710 -0.000136 -0.000883 2C 1f-3 0.001183 0.002726 -0.006636 -0.001791 -0.000450 -0.006389 3C 1s -0.003931 -0.001458 0.005875 -0.006982 0.007819 -0.004453 3C 2s -0.008126 -0.003329 0.012618 -0.015473 0.017121 -0.009301 3C 3s -0.005802 0.003798 -0.001741 0.008828 -0.015561 -0.000048 3C 4s 0.191947 0.046178 -0.208931 0.230946 -0.191639 0.148128 3C 5s -0.436072 -0.364139 0.755595 -1.466029 2.175515 -0.024211 3C 1pz -0.005567 -0.013979 -0.030614 -0.014060 -0.036014 0.005417 3C 1px 0.037194 -0.011827 -0.054857 0.009760 0.016696 0.066001 3C 1py -0.008892 -0.053578 0.037129 0.019363 0.059111 -0.011018 3C 2pz 0.024709 -0.009927 -0.045397 -0.006515 -0.013498 0.000571 3C 2px 0.022414 -0.033610 -0.061899 0.028056 0.027167 0.074625 3C 2py -0.003791 -0.070050 0.009750 -0.010159 0.019735 0.021445 3C 3pz 0.473983 0.730612 0.129313 -0.208927 0.894650 -0.176071 3C 3px -0.817293 0.424758 1.253675 -0.880059 -1.163721 -0.836428 3C 3py 0.077811 0.655482 0.490050 0.901981 -0.716995 -0.609557 3C 1dz2 -0.002109 -0.006492 -0.001718 -0.002544 -0.001063 0.001781 3C 1dxz -0.007544 0.003512 0.007747 -0.001135 -0.009625 -0.005082 3C 1dyz -0.006835 -0.003736 -0.000112 -0.009703 -0.003901 0.002532 3C 1dx2y2 0.003702 0.004282 -0.001359 -0.002589 0.006133 -0.000410 3C 1dxy -0.000620 0.005046 0.007828 -0.005238 -0.002880 -0.006406 3C 2dz2 -0.003056 0.008068 0.008262 -0.002542 -0.003934 -0.003177 3C 2dxz 0.036699 -0.032591 -0.037729 0.024923 0.076071 0.037688 3C 2dyz 0.051614 0.037714 -0.041869 0.010027 0.016679 0.033011 3C 2dx2y2 -0.014289 -0.031270 -0.047483 -0.013958 -0.034653 0.041394 3C 2dxy -0.012623 -0.007255 -0.003262 -0.015241 -0.046694 0.004440 3C 1f0 -0.001763 -0.004906 -0.003190 -0.001279 -0.001450 0.003631 3C 1f+1 -0.005385 -0.000891 0.004374 -0.001938 -0.005222 -0.003081 3C 1f-1 0.002103 0.004470 -0.000128 -0.000093 -0.001915 -0.000640 3C 1f+2 -0.003306 -0.000435 0.003414 -0.001750 0.001096 -0.002394 3C 1f-2 0.001793 0.000016 -0.000731 -0.000067 0.002857 0.000758 3C 1f+3 0.000846 -0.004943 -0.003272 0.001978 0.005415 0.003070 3C 1f-3 0.005800 0.000453 -0.007194 0.001569 0.004531 0.005857 4C 1s 0.000009 -0.008074 0.011238 0.011450 0.015926 0.000294 4C 2s -0.000094 -0.019093 0.025570 0.024418 0.035512 0.000968 4C 3s 0.014567 0.044441 -0.054377 0.021200 -0.033700 -0.026974 4C 4s -0.097982 0.014780 -0.089781 -0.586823 -0.424129 0.162250 4C 5s -0.055322 1.246215 -0.731987 0.952198 0.059267 -0.622894 4C 1pz 0.015049 0.033326 -0.026383 -0.052830 -0.006358 -0.006392 4C 1px 0.006140 -0.007915 0.019052 -0.009294 -0.037072 -0.045615 4C 1py -0.033244 -0.023959 -0.004857 -0.032755 0.008020 0.022119 4C 2pz -0.001116 0.108314 -0.061935 -0.107137 -0.086930 0.019034 4C 2px 0.102834 -0.044316 0.008626 -0.034325 -0.140288 -0.141141 4C 2py -0.062738 -0.007434 0.001444 -0.065618 -0.033741 0.065320 4C 3pz 0.167206 0.597069 -0.031211 -1.507206 -0.091704 0.260820 4C 3px -0.095334 -0.640787 0.519858 -0.112797 -0.807463 0.244475 4C 3py -0.286173 -0.376634 -0.191064 -1.050522 -0.660214 -0.047279 4C 1dz2 0.003970 0.002871 0.002716 0.003067 -0.003328 -0.001211 4C 1dxz 0.001796 0.007154 -0.004153 0.002589 -0.000509 0.000443 4C 1dyz -0.002564 -0.008008 0.005173 0.004441 0.002925 0.002944 4C 1dx2y2 0.002163 -0.004965 0.007180 -0.001925 0.007790 0.001295 4C 1dxy -0.001939 -0.004728 0.006025 0.000688 0.005257 0.003240 4C 2dz2 -0.035990 -0.023694 0.006818 0.020603 0.017902 0.018783 4C 2dxz 0.040190 -0.017040 -0.030957 0.016312 0.000492 -0.030201 4C 2dyz -0.020479 -0.021596 0.029720 -0.007562 0.017042 0.028103 4C 2dx2y2 -0.024897 -0.013765 0.015203 -0.043296 -0.018564 0.023550 4C 2dxy 0.047228 0.017564 0.010391 -0.030079 -0.005223 -0.003172 4C 1f0 -0.001976 -0.001710 0.000405 0.003214 -0.000328 -0.000339 4C 1f+1 0.004375 0.003002 -0.002238 0.005717 0.002261 -0.003637 4C 1f-1 0.000210 0.001544 -0.000813 0.000007 -0.001795 0.000021 4C 1f+2 -0.000966 0.001270 0.001750 -0.004618 0.000437 0.002332 4C 1f-2 0.003221 0.000870 -0.003374 -0.001536 -0.001509 -0.003150 4C 1f+3 -0.003653 -0.001909 -0.000566 -0.000627 0.000011 0.000959 4C 1f-3 -0.000342 0.000758 -0.001156 0.005857 0.000847 0.000866 5C 1s 0.002702 0.009624 -0.016405 0.002712 -0.021545 0.001049 5C 2s 0.005664 0.021062 -0.037260 0.004728 -0.048774 0.003958 5C 3s -0.029080 -0.021180 0.064110 0.042650 0.038713 -0.055291 5C 4s 0.081807 -0.252374 0.218717 -0.388978 0.551519 0.351789 5C 5s 0.184142 0.120190 0.872375 1.236507 0.792934 -1.191562 5C 1pz -0.010920 -0.020443 0.002182 -0.033188 0.000500 0.024065 5C 1px -0.003046 -0.021105 -0.020847 -0.008850 0.022674 -0.013777 5C 1py 0.006501 0.001589 -0.051159 0.034372 -0.054130 -0.002889 5C 2pz 0.047987 -0.039059 0.046464 -0.037515 0.062890 0.016238 5C 2px -0.122855 0.003512 -0.059900 -0.030323 0.079612 0.072896 5C 2py -0.052618 0.041460 -0.152239 0.027394 -0.219660 0.017900 5C 3pz -0.075941 -0.417790 0.382843 -0.726719 0.793721 -0.111644 5C 3px 0.058834 -0.108880 -0.772221 -0.200273 1.432059 0.825524 5C 3py -0.113182 -0.166298 -0.539883 1.106437 -1.463509 0.169446 5C 1dz2 -0.003664 -0.004363 0.005598 0.002582 0.008732 -0.004181 5C 1dxz -0.000545 -0.003042 0.005309 0.004997 0.005715 -0.001903 5C 1dyz -0.001148 -0.000691 0.011408 0.000982 0.012444 -0.007941 5C 1dx2y2 0.001295 -0.001056 -0.007020 -0.006929 -0.008209 0.005710 5C 1dxy -0.001310 -0.002283 -0.000031 -0.003058 -0.001238 0.000082 5C 2dz2 -0.010337 -0.006326 0.008998 0.029939 -0.013355 -0.014928 5C 2dxz -0.062002 0.021155 0.016004 0.003927 -0.061806 0.010685 5C 2dyz -0.067850 -0.015742 0.026945 0.016636 -0.011365 -0.021119 5C 2dx2y2 -0.000500 0.022898 0.013162 -0.033789 0.054351 0.000143 5C 2dxy 0.055980 -0.012283 0.025105 0.012708 0.032154 -0.055933 5C 1f0 -0.002575 0.003186 0.000519 0.001912 -0.002873 -0.001415 5C 1f+1 0.000471 -0.000855 0.000205 0.004939 -0.000371 -0.002837 5C 1f-1 -0.001705 0.000735 0.000368 -0.000911 -0.000095 0.000839 5C 1f+2 -0.000019 0.000499 -0.001066 -0.001179 -0.002509 0.001307 5C 1f-2 0.007144 -0.000373 -0.000496 -0.002476 0.003415 0.000341 5C 1f+3 -0.004765 0.001363 0.004667 0.003195 -0.005248 -0.004662 5C 1f-3 0.000808 0.000068 0.001697 -0.006411 0.001038 0.001430 6C 1s -0.003978 0.009482 -0.016220 0.002766 -0.020639 0.006213 6C 2s -0.008545 0.020758 -0.036879 0.004838 -0.047258 0.012611 6C 3s 0.034045 -0.018765 0.063862 0.042664 0.054638 0.038401 6C 4s -0.063191 -0.261715 0.212586 -0.391228 0.403505 -0.509546 6C 5s -0.112239 0.122574 0.897170 1.240101 1.141753 0.840024 6C 1pz -0.012303 0.021086 -0.001243 0.033304 0.006564 0.023014 6C 1px -0.003546 0.021095 0.020865 0.008812 -0.026249 -0.005854 6C 1py 0.008849 -0.000253 0.050994 -0.034684 0.049206 -0.020944 6C 2pz 0.044288 0.047220 -0.046393 0.037060 -0.058749 0.037072 6C 2px -0.119679 -0.013902 0.063345 0.031211 -0.044747 0.095004 6C 2py -0.043515 -0.043859 0.153626 -0.027569 0.212983 -0.056732 6C 3pz -0.117818 0.418622 -0.374130 0.726771 -0.793302 0.158653 6C 3px 0.084627 0.122842 0.767937 0.203143 -1.043740 1.256729 6C 3py -0.121914 0.158140 0.534698 -1.109898 1.445409 -0.345436 6C 1dz2 0.004341 -0.004207 0.005493 0.002581 0.009675 0.000945 6C 1dxz 0.001035 -0.003112 0.005325 0.005005 0.006071 -0.000183 6C 1dyz 0.001752 -0.000513 0.011469 0.000973 0.014343 0.003160 6C 1dx2y2 -0.001562 -0.001282 -0.007035 -0.006912 -0.009583 -0.002441 6C 1dxy 0.001485 -0.002178 -0.000072 -0.003070 -0.001213 0.000394 6C 2dz2 0.011365 -0.006135 0.009050 0.029931 -0.007408 0.018732 6C 2dxz 0.060825 0.027097 0.013922 0.003667 -0.063058 0.010136 6C 2dyz 0.070604 -0.010551 0.025623 0.016411 -0.004638 0.023714 6C 2dx2y2 -0.001116 0.023864 0.013280 -0.033751 0.050667 -0.018689 6C 2dxy -0.054522 -0.016916 0.027196 0.013361 0.050633 0.041898 6C 1f0 -0.002361 -0.003491 -0.000451 -0.001908 0.002282 -0.002183 6C 1f+1 0.000306 0.000963 -0.000264 -0.004953 -0.000622 -0.002784 6C 1f-1 -0.001685 -0.000886 -0.000308 0.000934 0.000462 0.000751 6C 1f+2 0.000043 -0.000449 0.001109 0.001179 0.002810 0.000433 6C 1f-2 0.007216 0.000913 0.000333 0.002442 -0.003275 0.001428 6C 1f+3 -0.004854 -0.001832 -0.004547 -0.003194 0.003390 -0.006052 6C 1f-3 0.000787 -0.000119 -0.001662 0.006424 -0.000480 0.001620 7C 1s 0.001053 -0.008233 0.011131 0.011423 0.014994 -0.005512 7C 2s 0.002548 -0.019423 0.025329 0.024357 0.033298 -0.012547 7C 3s -0.019950 0.044358 -0.053453 0.021185 -0.021791 0.035679 7C 4s 0.090969 0.021411 -0.091310 -0.585616 -0.464310 -0.006833 7C 5s -0.057006 1.247657 -0.732016 0.959008 0.293301 0.524546 7C 1pz 0.019072 -0.032828 0.025497 0.052766 0.004336 -0.007747 7C 1px 0.005954 0.007477 -0.019465 0.009028 0.019217 -0.055109 7C 1py -0.034883 0.021697 0.006191 0.033019 0.000307 0.022737 7C 2pz 0.009523 -0.109405 0.061492 0.106818 0.088138 -0.008741 7C 2px 0.100739 0.051046 -0.012348 0.033535 0.086442 -0.180378 7C 2py -0.064378 0.004103 0.001787 0.066332 0.054950 0.049452 7C 3pz 0.201411 -0.579568 0.022261 1.507650 0.183340 0.224291 7C 3px -0.144071 0.621730 -0.515151 0.111741 0.851360 -0.053507 7C 3py -0.307276 0.353378 0.192294 1.051672 0.620463 -0.268904 7C 1dz2 -0.004115 0.002671 0.002820 0.003065 -0.002728 0.002250 7C 1dxz -0.002411 0.007083 -0.004080 0.002577 -0.000544 -0.000455 7C 1dyz 0.003352 -0.007922 0.005085 0.004433 0.001667 -0.003611 7C 1dx2y2 -0.001610 -0.005142 0.007189 -0.001929 0.006887 -0.003654 7C 1dxy 0.002499 -0.004635 0.005908 0.000670 0.003853 -0.004717 7C 2dz2 0.037503 -0.020563 0.005499 0.020549 0.010248 -0.023263 7C 2dxz -0.039910 -0.020119 -0.029745 0.016198 0.009721 0.029250 7C 2dyz 0.023293 -0.021265 0.028588 -0.007609 0.006200 -0.031461 7C 2dx2y2 0.027106 -0.013481 0.013691 -0.043291 -0.025549 -0.015910 7C 2dxy -0.047217 0.012655 0.012000 -0.029742 -0.004417 0.004402 7C 1f0 -0.002070 0.001476 -0.000312 -0.003191 0.000097 -0.000429 7C 1f+1 0.004583 -0.002745 0.002009 -0.005699 -0.003323 -0.002612 7C 1f-1 0.000409 -0.001620 0.000751 -0.000007 0.001671 -0.000549 7C 1f+2 -0.000946 -0.001237 -0.001743 0.004569 0.000456 0.002358 7C 1f-2 0.003422 -0.000641 0.003294 0.001513 0.000388 -0.003521 7C 1f+3 -0.003776 0.001634 0.000726 0.000668 0.000318 0.000788 7C 1f-3 -0.000226 -0.000878 0.001174 -0.005840 -0.000567 0.001144 8C 1s 0.004262 -0.001206 0.005779 -0.007001 0.008838 0.001496 8C 2s 0.008850 -0.002802 0.012427 -0.015516 0.019198 0.002877 8C 3s 0.005657 0.004138 -0.002044 0.008782 -0.014681 0.005015 8C 4s -0.203796 0.033822 -0.202748 0.232016 -0.229067 -0.071352 8C 5s 0.458716 -0.348686 0.725359 -1.471155 2.063326 -0.723707 8C 1pz -0.006125 0.014512 0.030816 0.013775 0.036024 -0.007212 8C 1px 0.038642 0.016146 0.053843 -0.009583 0.006449 0.067332 8C 1py -0.015006 0.054131 -0.037081 -0.019433 -0.059185 0.009124 8C 2pz 0.025658 0.013953 0.044481 0.005732 0.012813 -0.003481 8C 2px 0.022108 0.037269 0.060557 -0.027771 0.000048 0.078197 8C 2py -0.010715 0.071406 -0.009656 0.010048 -0.010907 0.025861 8C 3pz 0.535307 -0.721129 -0.151297 0.212655 -0.893239 0.146811 8C 3px -0.830603 -0.515787 -1.217640 0.884058 0.813809 -1.164028 8C 3py 0.101239 -0.680519 -0.497625 -0.901026 0.475261 -0.801393 8C 1dz2 0.002737 -0.006504 -0.001676 -0.002596 -0.001669 -0.001069 8C 1dxz 0.007489 0.004568 0.007542 -0.001131 -0.007394 0.007961 8C 1dyz 0.007206 -0.003245 -0.000269 -0.009753 -0.004612 -0.000875 8C 1dx2y2 -0.004170 0.004089 -0.001282 -0.002578 0.005853 -0.001854 8C 1dxy 0.000422 0.005399 0.007803 -0.005200 -0.000423 0.006861 8C 2dz2 0.001979 0.008077 0.007316 -0.002305 -0.002075 0.003309 8C 2dxz -0.035443 -0.038129 -0.036721 0.024882 0.059107 -0.060721 8C 2dyz -0.057112 0.034033 -0.040890 0.010034 0.005159 -0.037760 8C 2dx2y2 0.015306 -0.031201 -0.048023 -0.014085 -0.046597 -0.026002 8C 2dxy 0.013899 -0.006848 -0.003790 -0.015344 -0.045897 0.011975 8C 1f0 -0.002152 0.004944 0.003236 0.001315 0.002664 0.002720 8C 1f+1 -0.005678 0.000324 -0.004303 0.001938 0.003832 -0.004744 8C 1f-1 0.002565 -0.004508 0.000067 0.000077 0.001520 -0.001164 8C 1f+2 -0.003496 0.000091 -0.003346 0.001777 -0.001794 -0.001882 8C 1f-2 0.001727 0.000253 0.000625 0.000093 -0.002458 0.001666 8C 1f+3 0.000420 0.005249 0.003139 -0.001944 -0.004049 0.004513 8C 1f-3 0.006207 0.000177 0.007085 -0.001583 -0.002412 0.007099 9C 1s -0.002122 0.003764 -0.004522 -0.008776 0.000813 0.002255 9C 2s -0.004375 0.008068 -0.009414 -0.019310 0.001816 0.004785 9C 3s -0.000312 -0.002972 -0.009591 0.010064 0.002045 0.001553 9C 4s 0.084711 -0.113154 0.224311 0.290385 -0.028112 -0.096155 9C 5s -0.225246 0.141180 -0.470426 -2.164733 -1.238358 0.141518 9C 1pz 0.025439 0.003001 -0.043827 -0.008643 -0.055237 0.022426 9C 1px -0.020522 0.025917 -0.041415 -0.011218 0.012344 0.054208 9C 1py -0.053074 0.058128 -0.018547 -0.003728 -0.012811 0.010574 9C 2pz 0.046572 -0.021072 -0.045664 -0.023419 -0.036965 0.028302 9C 2px -0.003420 0.020240 -0.031713 -0.017501 0.030309 0.007368 9C 2py -0.074350 0.077816 -0.040888 -0.010359 0.020170 0.014893 9C 3pz -0.877498 0.890603 -0.083653 0.958706 0.360158 0.081387 9C 3px 0.467810 -0.474097 0.947180 0.573708 -0.817976 -0.460270 9C 3py 1.169157 -0.973801 -0.306686 0.612737 -0.354145 0.126047 9C 1dz2 -0.002085 0.003965 -0.001110 0.004466 0.000354 -0.000379 9C 1dxz 0.004662 -0.006513 -0.003990 0.000726 -0.003605 0.004641 9C 1dyz 0.005037 -0.003866 0.003121 0.008881 -0.007265 -0.002401 9C 1dx2y2 0.009140 -0.006793 0.006227 0.000135 -0.003616 -0.005365 9C 1dxy -0.010683 0.006635 0.005882 0.002722 -0.002112 -0.000292 9C 2dz2 -0.034649 0.041403 -0.016278 -0.002185 -0.003713 0.012475 9C 2dxz -0.015154 0.010483 0.050210 0.010204 -0.039334 -0.037836 9C 2dyz -0.015417 0.027146 -0.045142 -0.011576 -0.003193 0.041560 9C 2dx2y2 -0.049419 0.025757 -0.002477 -0.003054 0.035816 0.012543 9C 2dxy 0.046373 -0.044870 -0.005756 -0.001968 -0.019918 0.007472 9C 1f0 0.008428 -0.007258 0.000380 -0.000019 -0.002905 -0.001475 9C 1f+1 -0.002488 0.001440 0.003881 0.000879 0.001087 -0.003454 9C 1f-1 -0.002990 0.001813 -0.001643 -0.001983 0.001895 0.002125 9C 1f+2 -0.001719 0.001486 -0.002333 0.000237 0.001698 0.003851 9C 1f-2 0.001935 0.000353 -0.006534 -0.001891 0.001320 0.003810 9C 1f+3 0.005988 -0.005532 -0.000061 0.000637 -0.000144 -0.000582 9C 1f-3 0.001830 -0.002891 0.006605 0.001794 -0.001705 -0.006258 10H 1s -0.012027 -0.002641 0.013429 -0.007429 0.013229 0.015782 10H 2s -0.200515 -0.145893 0.257092 0.040805 0.002693 0.311148 10H 3s -0.291101 -0.351604 0.552843 0.049663 -0.079333 0.034637 10H 1pz -0.017849 -0.018128 0.009534 -0.000300 -0.005585 0.016475 10H 1px 0.005882 0.001495 -0.008871 -0.005696 0.003967 -0.017628 10H 1py 0.010365 0.008223 0.011096 -0.000203 0.001327 0.007022 11H 1s -0.017790 -0.019868 -0.012623 -0.018703 0.004068 -0.008296 11H 2s -0.241226 -0.202504 -0.281427 -0.119502 -0.008336 -0.207464 11H 3s -0.356435 -0.488445 0.021217 -0.202037 0.441838 0.072447 11H 1pz -0.016211 -0.012502 -0.013314 -0.004024 -0.004626 -0.009432 11H 1px 0.002907 0.005102 -0.022210 -0.005209 -0.000532 -0.020046 11H 1py 0.011352 0.008885 0.004400 -0.002972 0.008554 0.000785 12H 1s 0.030697 0.020297 0.001772 -0.015901 0.006708 -0.011701 12H 2s 0.445068 0.405466 -0.041674 -0.082377 0.127670 -0.181881 12H 3s 0.509107 0.433749 0.084896 -0.161005 0.585756 -0.098670 12H 1pz -0.002304 -0.000111 0.000645 -0.004039 0.008860 0.000505 12H 1px 0.011089 0.011500 -0.015440 -0.004872 0.004637 -0.015072 12H 1py 0.025672 0.025529 -0.000198 -0.001250 0.003191 -0.007171 13H 1s 0.020969 0.004007 -0.005389 -0.004557 0.024125 -0.003060 13H 2s 0.336605 0.031236 -0.206000 0.098016 0.397718 0.121671 13H 3s 0.434692 0.055359 -0.565723 0.071764 0.493299 0.133196 13H 1pz 0.016610 0.010636 -0.002113 0.006084 0.018349 0.002578 13H 1px -0.011224 0.005328 0.006489 -0.009190 -0.016542 -0.006671 13H 1py -0.009349 0.006556 0.016223 -0.000837 -0.015373 -0.015740 14H 1s -0.010794 0.016275 0.014915 -0.018358 -0.007828 -0.012564 14H 2s -0.159142 0.257609 0.323682 -0.132576 -0.226727 -0.295639 14H 3s -0.089497 0.429644 0.329782 -0.348785 -0.513676 -0.149261 14H 1pz 0.004597 0.014946 0.008397 0.001509 0.004882 -0.011365 14H 1px -0.017170 0.009328 0.022629 -0.006435 -0.017915 -0.019475 14H 1py 0.003383 -0.000587 -0.002513 0.007416 0.007340 0.001382 15H 1s -0.015703 -0.018144 -0.009303 -0.021390 -0.006039 0.014426 15H 2s -0.229799 -0.291846 -0.028038 -0.122478 -0.097955 0.086055 15H 3s -0.093937 -0.210056 -0.437654 -0.418424 -0.528506 0.437144 15H 1pz 0.010661 0.010602 -0.003527 -0.001649 0.003021 0.000114 15H 1px -0.014594 0.000291 0.014042 -0.007173 -0.015423 -0.009090 15H 1py 0.010373 0.018217 0.000167 0.001729 -0.002899 -0.000522 16H 1s -0.000589 0.012175 -0.005189 0.000773 0.004090 -0.019447 16H 2s 0.021226 0.104719 -0.076429 -0.049995 -0.116617 -0.106169 16H 3s -0.070768 0.100516 0.076012 0.035370 0.364938 -0.149991 16H 1pz 0.002800 0.004379 -0.006963 -0.007434 -0.016614 -0.001789 16H 1px -0.001770 0.000553 0.001646 0.001594 0.009156 -0.004267 16H 1py 0.001570 0.001342 -0.002166 -0.002535 -0.004340 -0.001610 17H 1s 0.002872 -0.003548 -0.005920 0.002964 0.008043 0.014328 17H 2s 0.004089 -0.061468 0.015916 0.016662 0.125841 0.144526 17H 3s 0.028889 0.146755 -0.136734 -0.039384 -0.022195 -0.106744 17H 1pz 0.000339 0.004353 -0.001180 0.001274 -0.007125 -0.008426 17H 1px 0.001752 0.005181 -0.007268 -0.000320 -0.010188 -0.004946 17H 1py -0.000217 -0.003000 0.000597 -0.001229 0.003828 0.004066 18H 1s -0.002669 -0.004058 -0.005774 0.002961 0.002296 -0.015916 18H 2s 0.000141 -0.062451 0.014633 0.015435 0.064237 -0.173810 18H 3s -0.039322 0.142139 -0.132999 -0.037935 0.010981 0.102756 18H 1pz 0.000628 -0.004502 0.001267 -0.001364 0.003850 -0.010308 18H 1px 0.002190 -0.004875 0.007039 0.000170 0.007716 -0.007781 18H 1py -0.000247 0.002729 -0.000380 0.001306 -0.001742 0.004574 19H 1s -0.000375 0.012400 -0.005570 0.000850 0.010706 0.016390 19H 2s -0.031460 0.103979 -0.078694 -0.049706 -0.071217 0.135605 19H 3s 0.069147 0.108525 0.072426 0.035790 0.387535 0.014751 19H 1pz 0.003293 -0.004047 0.006840 0.007310 0.014570 -0.007006 19H 1px -0.001875 -0.000660 -0.001608 -0.001692 -0.010226 -0.000729 19H 1py 0.001821 -0.001386 0.002403 0.002728 0.003860 -0.003216 20H 1s 0.016891 -0.017776 -0.009965 -0.021452 -0.010450 -0.011061 20H 2s 0.256686 -0.284033 -0.035256 -0.123228 -0.122070 -0.040192 20H 3s 0.093154 -0.215148 -0.441704 -0.419085 -0.640639 -0.221954 20H 1pz 0.011808 -0.010151 0.003109 0.001666 -0.002801 0.001253 20H 1px -0.015375 -0.001635 -0.013638 0.007226 0.011640 -0.013772 20H 1py 0.012110 -0.017966 -0.000430 -0.001743 0.002448 -0.001080 21H 1s 0.009931 0.018156 0.014697 -0.018471 -0.003570 0.014104 21H 2s 0.150113 0.285769 0.319878 -0.133027 -0.116862 0.348163 21H 3s 0.068211 0.457079 0.323712 -0.350302 -0.436983 0.306288 21H 1pz 0.005495 -0.015242 -0.008746 -0.001519 -0.008330 -0.008800 21H 1px -0.017376 -0.011346 -0.022115 0.006506 0.010527 -0.024077 21H 1py 0.003370 0.000803 0.002291 -0.007376 -0.006262 0.003705 22H 1s -0.021581 0.002118 -0.004607 -0.004460 0.024036 -0.005346 22H 2s -0.348354 -0.000427 -0.194173 0.098544 0.335955 -0.249391 22H 3s -0.458347 0.019057 -0.545980 0.073952 0.416009 -0.286119 22H 1pz 0.017651 -0.009541 0.001520 -0.006012 -0.016378 0.008833 22H 1px -0.011168 -0.006617 -0.006104 0.009236 0.013585 -0.011808 22H 1py -0.009579 -0.007892 -0.015982 0.000862 0.009338 -0.019899 23H 1s -0.032159 0.018272 0.002930 -0.015807 0.010219 0.008485 23H 2s -0.474856 0.374782 -0.025195 -0.080294 0.181197 0.123614 23H 3s -0.531171 0.387068 0.106846 -0.160253 0.582011 -0.109319 23H 1pz -0.002544 0.000146 -0.000664 0.004015 -0.008049 0.003525 23H 1px 0.012090 -0.010468 0.014930 0.004770 -0.009255 -0.012624 23H 1py 0.027607 -0.023954 -0.000485 0.001186 -0.005623 -0.005513 24H 1s 0.018682 -0.018678 -0.013112 -0.018697 0.006125 0.007102 24H 2s 0.244739 -0.184963 -0.287698 -0.119201 0.058673 0.204312 24H 3s 0.392339 -0.463293 0.001781 -0.202434 0.391157 -0.202730 24H 1pz -0.016606 0.011310 0.013592 0.004003 0.001282 -0.010448 24H 1px 0.003809 -0.004753 0.022006 0.005111 -0.005911 -0.019327 24H 1py 0.011788 -0.008115 -0.004426 0.003032 -0.007997 0.003510 25H 1s 0.012817 -0.001743 0.012846 -0.007554 0.007555 -0.019682 25H 2s 0.219172 -0.131120 0.246781 0.038591 -0.097091 -0.296889 25H 3s 0.328780 -0.324606 0.539086 0.049872 -0.078863 -0.007703 25H 1pz -0.019447 0.016884 -0.008805 0.000404 0.010818 0.013577 25H 1px 0.006165 -0.000975 0.008624 0.005582 -0.009429 -0.015511 25H 1py 0.010628 -0.007450 -0.011307 0.000290 0.000957 0.007094 26O 1s 0.001583 0.000313 -0.002597 -0.008648 -0.013920 -0.002177 26O 2s 0.003604 0.000350 -0.006440 -0.020754 -0.035281 -0.004465 26O 3s -0.000325 0.005885 0.011580 0.026824 0.076480 -0.006055 26O 4s -0.054308 -0.041140 0.021753 0.084916 -0.018021 0.093006 26O 5s 0.049842 0.132702 -0.018110 0.421157 1.142042 -0.232191 26O 1pz 0.030706 0.016796 -0.013329 0.028633 -0.014889 0.000507 26O 1px 0.002261 0.043105 -0.052322 0.003496 -0.034535 -0.009287 26O 1py -0.008383 0.003649 0.004218 0.018598 -0.035720 -0.012551 26O 2pz 0.033972 0.021095 0.016292 0.022004 -0.021479 0.037317 26O 2px 0.023338 0.041994 -0.038147 -0.014855 -0.056873 0.002258 26O 2py -0.032106 -0.034751 0.014967 0.006498 -0.059321 0.018065 26O 3pz 0.037047 -0.019985 -0.175273 0.092629 0.072506 -0.257073 26O 3px 0.017557 0.082807 -0.178525 -0.312219 -0.289959 -0.137136 26O 3py 0.131411 0.174093 -0.071867 -0.051167 -0.034280 -0.224721 26O 1dz2 -0.000196 -0.000001 0.001451 0.001433 0.000808 0.000520 26O 1dxz -0.000473 -0.000879 0.000844 -0.000768 0.000087 -0.001458 26O 1dyz -0.000668 -0.000967 0.000328 -0.001249 0.000019 -0.000183 26O 1dx2y2 0.000069 0.000479 -0.000229 -0.002367 -0.001726 -0.000844 26O 1dxy 0.000781 0.000356 -0.000289 -0.002884 -0.001542 -0.002110 26O 2dz2 0.012725 0.003865 -0.002473 -0.004353 -0.001352 -0.004948 26O 2dxz -0.000275 -0.000252 0.001354 -0.004417 0.001779 -0.002593 26O 2dyz -0.001629 -0.006320 0.000117 -0.002206 0.003688 -0.005818 26O 2dx2y2 -0.007189 -0.001625 0.005724 0.008151 0.006720 0.005325 26O 2dxy -0.001042 0.000633 0.001816 0.004070 0.011994 -0.000477 26O 1f0 -0.000054 -0.000313 -0.000185 0.000304 0.000326 -0.000059 26O 1f+1 -0.000411 0.000134 -0.000161 0.000289 0.000563 -0.000093 26O 1f-1 0.000371 0.000504 -0.000782 0.000313 0.000422 -0.000365 26O 1f+2 -0.000308 -0.000371 0.000312 -0.000190 -0.000342 0.000344 26O 1f-2 0.000113 0.000808 -0.000639 -0.000337 -0.000231 -0.000364 26O 1f+3 -0.000413 -0.000374 0.000145 0.000090 0.000133 0.000377 26O 1f-3 0.000135 0.000017 0.000491 0.000693 0.000947 -0.000045 27O 1s -0.004078 -0.005973 0.003960 -0.003232 0.014717 -0.000108 27O 2s -0.009711 -0.015020 0.009151 -0.007217 0.037326 0.000780 27O 3s 0.011567 0.031985 -0.007039 0.000046 -0.081051 -0.015893 27O 4s 0.062220 -0.000087 -0.078932 0.078496 0.029003 0.102191 27O 5s -0.019445 0.220696 0.161196 0.033438 -1.487576 -0.617995 27O 1pz -0.002589 -0.010727 -0.009902 0.017357 -0.018573 0.034701 27O 1px -0.011314 -0.018757 0.053633 0.034739 0.058744 -0.024221 27O 1py 0.021843 -0.020411 -0.018435 -0.030842 -0.015124 0.001983 27O 2pz 0.016731 -0.032003 -0.035077 0.021735 0.013064 0.059918 27O 2px -0.007502 -0.016955 0.029173 0.017175 0.087240 0.017272 27O 2py -0.001109 -0.033540 -0.012816 -0.028688 -0.048145 -0.022414 27O 3pz -0.075033 0.111493 0.085596 0.042369 -0.223442 -0.131727 27O 3px -0.145830 -0.042007 0.232642 -0.153266 0.493411 -0.008510 27O 3py 0.154211 0.015486 -0.044685 -0.012702 0.111536 0.165865 27O 1dz2 0.000712 0.000756 -0.001205 0.001766 -0.001191 -0.000358 27O 1dxz 0.000646 0.000617 -0.000924 0.000001 -0.000102 -0.001590 27O 1dyz -0.000629 -0.000322 0.000665 0.000865 -0.000066 0.000071 27O 1dx2y2 -0.000930 -0.000857 0.001220 -0.001689 0.003814 0.000376 27O 1dxy 0.000206 0.000792 0.001027 0.002036 0.000190 0.000827 27O 2dz2 -0.006439 -0.002316 -0.000373 -0.001887 0.010454 0.009142 27O 2dxz -0.004265 0.003686 0.000728 -0.006073 0.000176 -0.004398 27O 2dyz 0.002953 0.000250 0.004305 0.003639 0.010277 -0.000981 27O 2dx2y2 0.009143 -0.006701 -0.001184 0.008356 -0.003532 -0.005156 27O 2dxy -0.001010 0.005022 0.000279 0.004117 0.009744 0.005608 27O 1f0 0.000061 0.000442 -0.000209 -0.000062 0.000236 0.000092 27O 1f+1 0.000346 0.000361 -0.000264 0.000280 -0.001026 -0.000565 27O 1f-1 0.000186 0.000039 0.000087 -0.000056 0.001061 0.000035 27O 1f+2 0.000570 -0.000365 -0.000434 -0.000024 0.000507 0.000262 27O 1f-2 0.000139 0.000214 -0.000876 -0.000073 -0.000348 0.000901 27O 1f+3 0.000186 0.000062 0.000564 0.000325 -0.000310 -0.001231 27O 1f-3 0.000045 0.000244 0.000457 -0.000168 0.001788 0.000309 28O 1s -0.002393 0.007642 -0.008923 -0.008122 -0.001926 0.006716 28O 2s -0.005631 0.019916 -0.023128 -0.019851 -0.004516 0.015422 28O 3s 0.003134 -0.051327 0.059574 0.031795 0.004063 -0.008374 28O 4s 0.056330 0.053060 -0.057183 0.043622 0.027606 -0.140027 28O 5s 0.110464 -0.828728 0.645164 0.523487 -0.017649 -0.018187 28O 1pz -0.013308 0.027752 -0.008495 0.029819 -0.038713 -0.006692 28O 1px -0.026152 -0.033977 0.044052 0.011605 0.018605 0.018277 28O 1py -0.001699 0.010058 -0.004062 0.029910 0.013243 -0.016283 28O 2pz -0.040312 0.027786 0.001554 0.013659 -0.048208 0.014693 28O 2px -0.007435 -0.036036 0.034991 0.020279 0.012285 0.003558 28O 2py 0.006136 0.017934 -0.005800 0.019940 0.008331 -0.014284 28O 3pz -0.068440 0.184447 -0.092458 -0.099964 0.007914 0.025803 28O 3px 0.083589 -0.205788 0.132622 0.283276 0.158960 -0.114797 28O 3py -0.004203 0.074483 0.007169 0.069173 0.090391 -0.041693 28O 1dz2 -0.000166 -0.000732 -0.000729 -0.000911 0.001858 -0.000048 28O 1dxz 0.001008 -0.001300 0.001205 0.003379 0.000078 -0.002188 28O 1dyz 0.000975 -0.000110 0.000868 -0.001310 0.000104 0.001438 28O 1dx2y2 -0.001177 0.000652 -0.000961 -0.001607 -0.001503 0.000911 28O 1dxy -0.001192 -0.001473 0.000476 0.000612 -0.000891 0.000738 28O 2dz2 0.000732 -0.002965 0.002139 -0.001490 0.005498 0.007269 28O 2dxz -0.012359 0.005356 0.007116 -0.002314 -0.000919 0.009586 28O 2dyz -0.005000 -0.006263 0.004287 -0.000675 0.003561 0.006677 28O 2dx2y2 0.010800 -0.003109 0.000657 0.004957 -0.002158 -0.005267 28O 2dxy -0.001888 -0.001282 -0.001265 0.002664 0.001381 0.000758 28O 1f0 0.000226 0.000006 -0.000094 -0.000057 -0.000307 -0.000411 28O 1f+1 0.000053 -0.000824 0.000130 0.000661 0.000409 0.000240 28O 1f-1 -0.000024 0.000596 -0.000637 -0.000177 -0.000267 -0.000485 28O 1f+2 -0.000304 0.000530 0.000065 -0.000514 -0.000230 0.000614 28O 1f-2 -0.000217 -0.000361 0.000565 0.000543 0.000080 -0.000025 28O 1f+3 -0.000796 -0.000111 -0.000226 -0.000024 -0.000058 0.000503 28O 1f-3 0.000133 0.000298 0.000253 0.000137 -0.000100 -0.000062 29O 1s 0.000432 -0.000171 -0.001275 -0.011195 0.003614 -0.006022 29O 2s 0.001045 -0.000090 -0.003102 -0.026173 0.008845 -0.014639 29O 3s -0.001483 -0.004595 0.005220 0.025055 -0.015409 0.023284 29O 4s -0.001535 0.027614 0.003433 0.183983 -0.027449 0.064522 29O 5s -0.022159 -0.097835 0.056422 -0.076385 -0.065545 0.029956 29O 1pz -0.011444 0.007020 0.006251 0.035147 0.020242 0.004037 29O 1px -0.006529 -0.025026 0.020647 -0.087127 -0.001217 -0.034148 29O 1py -0.005978 0.007044 0.029317 -0.021853 -0.006120 -0.036440 29O 2pz -0.011872 0.015142 -0.005808 0.030225 0.000698 -0.010343 29O 2px -0.010653 -0.023806 0.022291 -0.084097 -0.014258 -0.037790 29O 2py -0.005906 0.001937 0.042196 -0.029624 -0.014275 -0.044807 29O 3pz 0.008946 0.087937 -0.020342 0.005456 -0.080901 -0.070523 29O 3px 0.018365 -0.002012 0.002032 -0.111605 -0.014573 -0.100968 29O 3py 0.002482 0.039946 -0.041880 -0.001942 0.047123 0.041656 29O 1dz2 0.000139 0.001409 -0.000640 0.000908 -0.001341 -0.001126 29O 1dxz 0.000020 -0.000648 0.000144 0.002267 0.000583 0.002947 29O 1dyz 0.000361 0.001419 -0.001074 -0.000548 -0.002130 -0.001989 29O 1dx2y2 -0.000054 -0.000553 0.000477 -0.002576 0.000790 -0.001167 29O 1dxy -0.000185 0.000791 0.000614 -0.000588 -0.001168 -0.001672 29O 2dz2 -0.000789 -0.000458 0.002066 0.005794 0.009083 -0.000174 29O 2dxz 0.001266 0.001986 -0.004491 0.003851 -0.009563 0.003072 29O 2dyz -0.001086 -0.003324 0.001801 0.002071 0.010275 0.003648 29O 2dx2y2 -0.000058 0.001792 -0.001441 -0.007535 -0.000923 -0.004520 29O 2dxy -0.000471 -0.002387 0.004324 0.000726 -0.000464 0.002335 29O 1f0 0.000123 0.000313 -0.000313 -0.000390 -0.000375 -0.000038 29O 1f+1 -0.000050 0.000069 0.000001 -0.000230 -0.000521 -0.000292 29O 1f-1 0.000151 0.000260 -0.000176 -0.000985 -0.001160 -0.000207 29O 1f+2 -0.000120 -0.000129 0.000313 0.000535 0.000483 0.000033 29O 1f-2 -0.000080 -0.000605 0.000674 -0.000452 0.001129 0.000339 29O 1f+3 0.000106 0.000169 -0.000506 0.000721 -0.000493 0.000264 29O 1f-3 0.000065 0.000111 -0.000212 -0.000589 -0.000526 -0.000613 30O 1s 0.002001 -0.003968 0.013974 -0.003619 0.011589 0.001716 30O 2s 0.004651 -0.009819 0.035729 -0.008618 0.027768 0.002943 30O 3s 0.000637 0.017079 -0.083030 0.010510 -0.034905 0.013955 30O 4s -0.063494 0.020990 0.044016 0.031561 -0.128115 -0.120121 30O 5s -0.272959 0.175083 -1.120053 0.190750 -0.579748 0.635677 30O 1pz -0.009681 0.013038 0.017841 0.026950 0.033594 -0.034569 30O 1px 0.038072 0.017130 -0.038586 0.002675 -0.042959 -0.004228 30O 1py -0.014432 0.015541 -0.031615 -0.054012 -0.038338 0.047854 30O 2pz 0.013768 0.012649 0.033477 0.015338 0.035916 -0.045153 30O 2px 0.002955 0.028225 -0.036248 0.002287 -0.056657 0.003931 30O 2py -0.053739 0.011307 -0.036619 -0.045892 -0.064120 0.038545 30O 3pz 0.093596 -0.030343 0.120313 -0.008832 0.225403 -0.084653 30O 3px -0.114344 0.087748 -0.267171 0.141705 -0.453189 0.006839 30O 3py -0.048484 0.139168 -0.136488 -0.002246 -0.102516 0.168589 30O 1dz2 -0.000608 0.000304 0.001143 0.000266 -0.001996 -0.001593 30O 1dxz -0.001101 0.000505 -0.002065 0.001306 -0.002586 -0.000368 30O 1dyz -0.000225 0.000521 -0.000878 0.002323 -0.001112 -0.001217 30O 1dx2y2 0.001174 -0.000874 0.001200 0.000785 0.001812 0.000062 30O 1dxy 0.000432 -0.001207 0.001883 -0.001868 0.001147 0.000286 30O 2dz2 0.003179 -0.003347 0.005396 -0.000681 0.005231 -0.000719 30O 2dxz 0.014236 -0.003055 0.000975 -0.000474 0.010293 -0.004255 30O 2dyz 0.004260 -0.001810 0.008480 0.004860 0.012097 -0.013746 30O 2dx2y2 -0.010493 0.001096 0.000942 0.003643 -0.005696 -0.004543 30O 2dxy -0.019586 0.004913 0.000611 -0.002280 -0.008268 0.003062 30O 1f0 -0.000511 0.000589 -0.000584 -0.000026 -0.000860 0.000257 30O 1f+1 0.000124 0.000249 0.000147 0.000204 0.000305 0.000171 30O 1f-1 0.000024 0.000011 -0.000164 0.000061 -0.000576 0.000458 30O 1f+2 0.000461 -0.000025 -0.000760 -0.000024 -0.000183 0.000642 30O 1f-2 0.000352 -0.000299 0.001082 -0.000316 0.001247 -0.000667 30O 1f+3 0.000250 -0.000004 -0.000509 0.000352 -0.000317 0.000326 30O 1f-3 0.000874 0.000045 0.000008 -0.000043 0.000061 0.000219 31O 1s -0.001189 -0.004278 0.013925 -0.003646 0.010480 -0.005578 31O 2s -0.002583 -0.010538 0.035602 -0.008681 0.025526 -0.012273 31O 3s -0.005240 0.017285 -0.082607 0.010579 -0.038320 -0.001013 31O 4s 0.064660 0.028972 0.042765 0.031921 -0.079837 0.156035 31O 5s 0.215766 0.194071 -1.122925 0.188356 -0.784236 -0.398646 31O 1pz -0.009776 -0.014359 -0.017775 -0.027054 -0.043493 -0.020191 31O 1px 0.041136 -0.014350 0.037550 -0.002982 0.038761 -0.018505 31O 1py -0.011844 -0.016901 0.032426 0.054250 0.052428 0.032010 31O 2pz 0.013683 -0.012609 -0.033703 -0.015760 -0.050020 -0.029021 31O 2px 0.006542 -0.028528 0.036365 -0.002390 0.055355 -0.014895 31O 2py -0.051633 -0.016153 0.038124 0.046209 0.073982 0.014471 31O 3pz 0.083663 0.038586 -0.124010 0.009388 -0.244372 -0.005058 31O 3px -0.098484 -0.098289 0.267011 -0.141825 0.434987 -0.147715 31O 3py -0.029544 -0.143301 0.139896 0.002999 0.159253 0.126754 31O 1dz2 0.000624 0.000399 0.001149 0.000271 -0.001360 0.002164 31O 1dxz 0.000977 0.000581 -0.002084 0.001315 -0.002313 0.001206 31O 1dyz 0.000188 0.000548 -0.000864 0.002327 -0.000666 0.001505 31O 1dx2y2 -0.001077 -0.000967 0.001210 0.000786 0.001707 -0.000673 31O 1dxy -0.000258 -0.001272 0.001878 -0.001870 0.001025 -0.000637 31O 2dz2 -0.002711 -0.003714 0.005476 -0.000650 0.005252 -0.001048 31O 2dxz -0.013962 -0.004377 0.001348 -0.000346 0.011707 0.000659 31O 2dyz -0.003807 -0.002108 0.008643 0.004898 0.016337 0.008766 31O 2dx2y2 0.010493 0.001986 0.000662 0.003648 -0.004045 0.006155 31O 2dxy 0.019296 0.006590 0.000014 -0.002383 -0.009328 -0.000263 31O 1f0 -0.000432 -0.000644 0.000599 0.000029 0.000922 -0.000037 31O 1f+1 0.000135 -0.000242 -0.000157 -0.000203 -0.000219 0.000268 31O 1f-1 0.000042 -0.000005 0.000167 -0.000061 0.000698 0.000227 31O 1f+2 0.000501 0.000081 0.000760 0.000022 0.000366 0.000538 31O 1f-2 0.000293 0.000324 -0.001082 0.000312 -0.001435 -0.000201 31O 1f+3 0.000264 0.000022 0.000496 -0.000352 0.000413 0.000197 31O 1f-3 0.000890 0.000026 -0.000028 0.000040 -0.000006 0.000220 32O 1s -0.000492 -0.000188 -0.001287 -0.011154 0.005533 0.004461 32O 2s -0.001203 -0.000138 -0.003129 -0.026069 0.013500 0.010807 32O 3s 0.001900 -0.004427 0.005204 0.024814 -0.022701 -0.016439 32O 4s 0.000721 0.026999 0.003542 0.183874 -0.048667 -0.052988 32O 5s 0.029462 -0.095083 0.057965 -0.077007 -0.071541 -0.002557 32O 1pz -0.010688 -0.008078 -0.005029 -0.035058 -0.017166 0.011718 32O 1px -0.007777 0.023852 -0.020466 0.087106 -0.010508 -0.033283 32O 1py -0.006887 -0.008323 -0.029787 0.021641 -0.006143 -0.036402 32O 2pz -0.009888 -0.016439 0.007347 -0.030465 -0.004154 -0.007631 32O 2px -0.011771 0.022178 -0.022158 0.084009 0.000814 -0.041004 32O 2py -0.007481 -0.003836 -0.042391 0.029566 -0.000475 -0.047781 32O 3pz 0.014533 -0.087025 0.020535 -0.005303 0.050692 -0.091958 32O 3px 0.018264 0.004018 -0.003065 0.110410 -0.026783 -0.097844 32O 3py 0.007088 -0.040668 0.043777 0.003102 -0.028521 0.052467 32O 1dz2 -0.000226 0.001351 -0.000627 0.000950 -0.000810 0.001342 32O 1dxz 0.000029 -0.000705 0.000146 0.002248 -0.000489 -0.002997 32O 1dyz -0.000492 0.001435 -0.001091 -0.000541 -0.001268 0.002577 32O 1dx2y2 0.000107 -0.000577 0.000508 -0.002554 0.001168 0.000776 32O 1dxy 0.000162 0.000791 0.000634 -0.000570 -0.000485 0.001865 32O 2dz2 0.000808 -0.000180 0.001782 0.005690 0.007939 -0.002519 32O 2dxz -0.001555 0.001883 -0.004550 0.003764 -0.010021 0.000402 32O 2dyz 0.001359 -0.003241 0.001817 0.002119 0.008576 -0.006782 32O 2dx2y2 -0.000198 0.001976 -0.001601 -0.007636 0.000239 0.004802 32O 2dxy 0.000620 -0.002108 0.004138 0.000618 -0.001710 -0.001692 32O 1f0 0.000156 -0.000301 0.000321 0.000346 0.000300 -0.000138 32O 1f+1 -0.000048 -0.000085 0.000000 0.000192 0.000388 -0.000455 32O 1f-1 0.000187 -0.000263 0.000175 0.000993 0.001008 -0.000583 32O 1f+2 -0.000145 0.000116 -0.000306 -0.000559 -0.000466 0.000189 32O 1f-2 -0.000141 0.000588 -0.000681 0.000472 -0.000930 0.000654 32O 1f+3 0.000128 -0.000135 0.000486 -0.000725 0.000521 0.000126 32O 1f-3 0.000089 -0.000116 0.000224 0.000581 0.000298 -0.000745 33O 1s 0.001558 0.007870 -0.008998 -0.008168 -0.004110 -0.005769 33O 2s 0.003465 0.020452 -0.023296 -0.019960 -0.009532 -0.013247 33O 3s 0.002356 -0.051701 0.059511 0.031920 0.006833 0.007151 33O 4s -0.061228 0.047943 -0.054519 0.044327 0.072865 0.121977 33O 5s -0.038431 -0.830482 0.645928 0.522777 -0.010833 0.037916 33O 1pz -0.011174 -0.029118 0.008942 -0.029879 0.033435 -0.017861 33O 1px -0.030022 0.032554 -0.042631 -0.011552 -0.011602 0.022846 33O 1py -0.001363 -0.010199 0.003613 -0.030047 -0.017690 -0.010423 33O 2pz -0.039067 -0.030562 0.000301 -0.013595 0.049921 -0.001245 33O 2px -0.011146 0.035806 -0.034086 -0.020139 -0.010361 0.006544 33O 2py 0.006489 -0.017009 0.004730 -0.020273 -0.011706 -0.010019 33O 3pz -0.049354 -0.189573 0.092423 0.098812 -0.004222 0.034087 33O 3px 0.064888 0.211940 -0.134640 -0.283304 -0.189185 -0.058209 33O 3py 0.003332 -0.077112 -0.006321 -0.068500 -0.103705 -0.006323 33O 1dz2 0.000201 -0.000733 -0.000732 -0.000912 0.001764 -0.000540 33O 1dxz -0.000865 -0.001355 0.001229 0.003381 0.000840 0.002040 33O 1dyz -0.000932 -0.000200 0.000891 -0.001314 -0.000386 -0.001388 33O 1dx2y2 0.001072 0.000763 -0.000992 -0.001611 -0.001755 -0.000352 33O 1dxy 0.001321 -0.001400 0.000433 0.000613 -0.001104 -0.000359 33O 2dz2 -0.000513 -0.002993 0.002045 -0.001546 0.002806 -0.008591 33O 2dxz 0.012140 0.006291 0.006600 -0.002337 -0.003826 -0.008982 33O 2dyz 0.005460 -0.005936 0.004106 -0.000690 0.001143 -0.007356 33O 2dx2y2 -0.010551 -0.003845 0.000941 0.004938 -0.000382 0.005941 33O 2dxy 0.001938 -0.001164 -0.001261 0.002672 0.000990 -0.001206 33O 1f0 0.000229 0.000022 0.000079 0.000053 0.000153 -0.000483 33O 1f+1 -0.000011 0.000827 -0.000128 -0.000658 -0.000299 0.000352 33O 1f-1 0.000057 -0.000609 0.000633 0.000174 0.000076 -0.000531 33O 1f+2 -0.000275 -0.000548 -0.000060 0.000511 0.000428 0.000513 33O 1f-2 -0.000247 0.000341 -0.000556 -0.000542 -0.000092 -0.000006 33O 1f+3 -0.000792 0.000056 0.000255 0.000026 0.000218 0.000457 33O 1f-3 0.000151 -0.000292 -0.000256 -0.000137 0.000063 -0.000085 34O 1s 0.004613 -0.005674 0.003786 -0.003269 0.013855 -0.004797 34O 2s 0.011047 -0.014320 0.008736 -0.007313 0.034784 -0.013156 34O 3s -0.014260 0.031394 -0.006551 0.000257 -0.070762 0.041906 34O 4s -0.063554 -0.006225 -0.076382 0.078421 -0.007440 -0.105519 34O 5s 0.006977 0.225246 0.161127 0.037217 -1.178713 1.079611 34O 1pz -0.002844 0.010866 0.009972 -0.017158 0.030081 0.026659 34O 1px -0.015330 0.018295 -0.053502 -0.034637 -0.063145 -0.002325 34O 1py 0.021361 0.022847 0.017570 0.030668 0.014398 -0.003945 34O 2pz 0.015738 0.034841 0.034742 -0.021560 0.008393 0.060662 34O 2px -0.010061 0.016780 -0.028801 -0.016949 -0.075726 0.046189 34O 2py -0.003748 0.034526 0.012104 0.028439 0.038004 -0.038409 34O 3pz -0.070656 -0.122179 -0.085091 -0.042302 0.169565 -0.197232 34O 3px -0.158776 0.027284 -0.227988 0.155262 -0.457858 0.158204 34O 3py 0.162591 -0.001919 0.043402 0.013185 -0.056657 0.194420 34O 1dz2 -0.000779 0.000673 -0.001167 0.001775 -0.000974 0.000719 34O 1dxz -0.000703 0.000595 -0.000867 0.000011 0.000433 0.001546 34O 1dyz 0.000690 -0.000267 0.000652 0.000862 -0.000101 -0.000052 34O 1dx2y2 0.001046 -0.000765 0.001182 -0.001702 0.003432 -0.001606 34O 1dxy -0.000209 0.000797 0.001017 0.002021 -0.000102 -0.000875 34O 2dz2 0.006678 -0.002017 -0.000635 -0.001932 0.006494 -0.012093 34O 2dxz 0.004061 0.004203 0.000556 -0.006081 0.001537 0.004017 34O 2dyz -0.002795 -0.000007 0.004485 0.003636 0.010053 -0.002651 34O 2dx2y2 -0.008691 -0.007802 -0.000857 0.008447 -0.001094 0.006163 34O 2dxy 0.000704 0.005163 0.000292 0.004103 0.007154 -0.008706 34O 1f0 0.000108 -0.000437 0.000210 0.000061 -0.000189 0.000172 34O 1f+1 0.000385 -0.000344 0.000248 -0.000283 0.000761 -0.000870 34O 1f-1 0.000178 -0.000018 -0.000099 0.000057 -0.000981 0.000389 34O 1f+2 0.000571 0.000429 0.000414 0.000023 -0.000405 0.000415 34O 1f-2 0.000202 -0.000192 0.000878 0.000073 0.000628 0.000721 34O 1f+3 0.000156 -0.000046 -0.000579 -0.000333 -0.000141 -0.001255 34O 1f-3 0.000049 -0.000245 -0.000460 0.000171 -0.001557 0.000903 35O 1s -0.001844 0.000331 -0.002476 -0.008644 -0.012483 0.006740 35O 2s -0.004250 0.000420 -0.006151 -0.020745 -0.031991 0.016098 35O 3s 0.001525 0.005158 0.011236 0.026861 0.074569 -0.020153 35O 4s 0.055837 -0.036745 0.019732 0.084575 -0.048171 -0.081164 35O 5s -0.047614 0.126287 -0.017843 0.420721 1.163339 -0.165341 35O 1pz 0.031862 -0.013621 0.012265 -0.028817 0.014409 -0.003992 35O 1px 0.007349 -0.043693 0.051819 -0.003578 0.029526 -0.019321 35O 1py -0.008740 -0.004732 -0.003701 -0.018515 0.029314 -0.023877 35O 2pz 0.034424 -0.017208 -0.017323 -0.022078 0.033212 0.029080 35O 2px 0.027685 -0.040146 0.037104 0.014638 0.054890 -0.016000 35O 2py -0.035663 0.032619 -0.013080 -0.006234 0.061789 -0.003541 35O 3pz 0.041056 0.021530 0.172772 -0.094642 -0.156546 -0.219788 35O 3px 0.029909 -0.082136 0.175888 0.310776 0.232420 -0.225022 35O 3py 0.146752 -0.165913 0.065453 0.049733 -0.040599 -0.221323 35O 1dz2 0.000270 0.000012 0.001455 0.001426 0.000580 -0.000758 35O 1dxz 0.000547 -0.000815 0.000844 -0.000755 0.000598 0.001352 35O 1dyz 0.000750 -0.000908 0.000300 -0.001252 0.000088 0.000196 35O 1dx2y2 -0.000102 0.000464 -0.000209 -0.002355 -0.001383 0.001366 35O 1dxy -0.000857 0.000324 -0.000251 -0.002873 -0.000758 0.002502 35O 2dz2 -0.012981 0.002768 -0.002070 -0.004277 0.000173 0.005179 35O 2dxz 0.000312 -0.000192 0.001323 -0.004427 0.002513 0.001900 35O 2dyz 0.002031 -0.006350 0.000061 -0.002183 0.005393 0.004450 35O 2dx2y2 0.007375 -0.000814 0.005441 0.008079 0.004813 -0.007318 35O 2dxy 0.000926 0.000913 0.001839 0.004066 0.011660 -0.003623 35O 1f0 -0.000073 0.000314 0.000193 -0.000305 -0.000322 0.000043 35O 1f+1 -0.000399 -0.000164 0.000170 -0.000289 -0.000581 0.000116 35O 1f-1 0.000439 -0.000466 0.000764 -0.000318 -0.000524 -0.000201 35O 1f+2 -0.000341 0.000343 -0.000304 0.000192 0.000436 0.000212 35O 1f-2 0.000198 -0.000807 0.000630 0.000334 0.000089 -0.000399 35O 1f+3 -0.000443 0.000340 -0.000126 -0.000085 0.000000 0.000394 35O 1f-3 0.000121 -0.000013 -0.000497 -0.000691 -0.000931 0.000272 162 163 164 165 166 167 0.26125 0.26308 0.27304 0.27827 0.29046 0.30358 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s 0.000457 -0.001716 -0.000183 -0.002214 -0.000644 -0.001276 0Rh 2s -0.002329 0.006436 0.000736 0.008334 0.002622 0.004367 0Rh 3s 0.001215 -0.005994 -0.000610 -0.007719 -0.002122 -0.004719 0Rh 4s 0.010526 -0.028368 -0.003269 -0.036733 -0.011652 -0.019078 0Rh 5s -0.013509 0.023029 0.003051 0.029315 0.010951 0.011555 0Rh 6s -0.000989 0.049129 0.004182 0.067265 0.016139 0.048471 0Rh 7s -0.309834 0.649806 -0.004486 -0.387422 0.059908 -0.429864 0Rh 8s 2.003740 -1.817871 -0.011676 1.515962 -1.112756 2.540884 0Rh 1pz -0.001458 0.007478 0.000215 -0.002676 -0.012902 0.000863 0Rh 1px -0.004420 -0.008067 0.000221 0.000414 -0.000969 -0.003817 0Rh 1py -0.004433 -0.004140 -0.000054 0.003889 -0.002351 0.014410 0Rh 2pz 0.004940 -0.025798 -0.000780 0.009197 0.044548 -0.002987 0Rh 2px 0.015317 0.027959 -0.000773 -0.001333 0.003380 0.013194 0Rh 2py 0.015301 0.014292 0.000195 -0.013348 0.008083 -0.049700 0Rh 3pz -0.003040 0.025166 0.001502 -0.008187 -0.043640 0.003081 0Rh 3px -0.016468 -0.029618 0.000931 -0.000603 -0.003847 -0.013283 0Rh 3py -0.015001 -0.014050 -0.000345 0.011631 -0.007192 0.047417 0Rh 4pz -0.012108 0.023841 -0.002312 -0.012144 -0.041847 0.001945 0Rh 4px -0.006383 -0.018200 0.000001 0.009468 -0.001761 -0.010189 0Rh 4py -0.014117 -0.013169 0.000432 0.018169 -0.010623 0.052380 0Rh 5pz 0.013412 0.036646 0.008656 -0.001698 -0.056478 0.006734 0Rh 5px -0.051116 -0.038746 0.002883 -0.023747 -0.003330 -0.028492 0Rh 5py -0.023950 -0.016513 -0.001612 0.003134 -0.003099 0.048422 0Rh 6pz -0.123039 -0.670810 -0.206728 0.127371 1.059383 0.063999 0Rh 6px 0.754823 0.275133 -0.075397 0.178527 0.120628 0.289714 0Rh 6py 0.576774 0.157310 0.037921 -0.175216 0.211496 -0.970757 0Rh 1dz2 -0.008915 0.015426 0.019216 -0.003761 -0.007166 -0.003851 0Rh 1dxz -0.005506 -0.004975 0.007725 0.010622 0.008726 -0.006300 0Rh 1dyz -0.012385 0.000100 -0.013779 0.013200 -0.006648 -0.005470 0Rh 1dx2y2 0.005657 -0.012499 0.011889 0.006401 -0.000004 0.003232 0Rh 1dxy 0.011916 -0.002164 -0.000307 0.012763 -0.011792 0.000822 0Rh 2dz2 0.000111 -0.000974 -0.001249 -0.000779 0.000378 0.000003 0Rh 2dxz 0.000128 0.000177 -0.000973 -0.000412 -0.000031 -0.000203 0Rh 2dyz 0.000114 -0.000051 0.001283 -0.000879 0.000531 0.000469 0Rh 2dx2y2 -0.000201 0.000802 -0.001032 0.000119 0.000096 0.000749 0Rh 2dxy 0.000154 0.000251 0.000122 -0.000484 0.000539 0.000398 0Rh 3dz2 0.015386 -0.023518 -0.029416 0.010026 0.011244 0.006938 0Rh 3dxz 0.009303 0.008275 -0.009931 -0.017320 -0.015507 0.012241 0Rh 3dyz 0.021541 0.000117 0.019371 -0.019815 0.009595 0.007868 0Rh 3dx2y2 -0.009232 0.018935 -0.017154 -0.012008 -0.000420 -0.008945 0Rh 3dxy -0.021934 0.002835 0.000000 -0.020900 0.018946 -0.003247 0Rh 4dz2 0.013427 -0.032887 -0.040781 -0.005942 0.015224 0.004485 0Rh 4dxz 0.008419 0.008757 -0.022145 -0.020514 -0.012326 0.004878 0Rh 4dyz 0.018743 -0.001485 0.035969 -0.031091 0.017047 0.013898 0Rh 4dx2y2 -0.009292 0.026436 -0.028397 -0.006045 0.001178 0.006875 0Rh 4dxy -0.013850 0.005781 0.002513 -0.023153 0.023038 0.005682 0Rh 5dz2 0.037307 -0.012805 -0.016715 0.067555 -0.008517 0.031649 0Rh 5dxz 0.036360 0.007428 0.019889 0.004557 -0.027108 0.047860 0Rh 5dyz 0.036719 0.008011 -0.042177 0.015446 -0.015855 -0.002669 0Rh 5dx2y2 -0.041960 0.017367 0.002388 -0.050848 0.005275 -0.078608 0Rh 5dxy -0.059692 -0.000055 -0.015788 -0.031110 0.014058 -0.056297 0Rh 1f0 -0.001706 -0.001264 0.003261 -0.001654 -0.001931 0.002629 0Rh 1f+1 -0.000494 0.000541 -0.002767 -0.002950 -0.008028 0.001623 0Rh 1f-1 -0.001184 0.001015 -0.001314 0.000071 -0.005503 0.005545 0Rh 1f+2 0.004505 -0.002912 -0.001924 0.002849 0.007130 0.001682 0Rh 1f-2 -0.001153 0.001423 0.001183 0.004466 0.000589 0.007357 0Rh 1f+3 0.003862 0.000975 0.004009 -0.001702 -0.004714 -0.003639 0Rh 1f-3 -0.003048 -0.000541 0.001286 0.000098 -0.001499 0.009609 1Rh 1s -0.000282 -0.001739 -0.000164 0.002215 0.000653 0.001243 1Rh 2s 0.001672 0.006579 0.000650 -0.008343 -0.002655 -0.004258 1Rh 3s -0.000603 -0.006041 -0.000550 0.007721 0.002152 0.004596 1Rh 4s -0.007632 -0.029025 -0.002880 0.036772 0.011796 0.018601 1Rh 5s 0.011165 0.024017 0.002626 -0.029370 -0.011072 -0.011283 1Rh 6s -0.004068 0.048705 0.003871 -0.067260 -0.016375 -0.047178 1Rh 7s 0.247002 0.679615 -0.010141 0.402431 -0.058788 0.428299 1Rh 8s -1.819423 -2.031517 0.039044 -1.551982 1.112429 -2.550051 1Rh 1pz -0.000690 -0.007686 -0.000322 -0.002766 -0.012787 0.001025 1Rh 1px -0.005196 0.007591 -0.000107 0.000486 -0.000980 -0.003759 1Rh 1py -0.004812 0.003566 -0.000010 0.004036 -0.002388 0.014349 1Rh 2pz 0.002293 0.026505 0.001149 0.009505 0.044147 -0.003551 1Rh 2px 0.018002 -0.026311 0.000380 -0.001584 0.003413 0.012992 1Rh 2py 0.016609 -0.012310 0.000026 -0.013858 0.008209 -0.049489 1Rh 3pz -0.000508 -0.025623 -0.001898 -0.008465 -0.043234 0.003709 1Rh 3px -0.019265 0.027882 -0.000560 -0.000320 -0.003804 -0.013036 1Rh 3py -0.016286 0.012111 0.000166 0.012171 -0.007298 0.047167 1Rh 4pz -0.009482 -0.025462 0.002112 -0.012518 -0.041535 0.002190 1Rh 4px -0.008332 0.017368 0.000378 0.009560 -0.002099 -0.010183 1Rh 4py -0.015328 0.011321 -0.000797 0.018473 -0.010806 0.052363 1Rh 5pz 0.016895 -0.035107 -0.009487 -0.001981 -0.055784 0.008010 1Rh 5px -0.054276 0.033690 -0.002122 -0.023215 -0.002608 -0.027914 1Rh 5py -0.025364 0.013543 0.001717 0.004344 -0.003130 0.047678 1Rh 6pz -0.190857 0.656999 0.222691 0.132672 1.043007 0.025131 1Rh 6px 0.776319 -0.204578 0.062982 0.175511 0.114480 0.274967 1Rh 6py 0.585574 -0.086945 -0.031231 -0.191926 0.212203 -0.958380 1Rh 1dz2 0.007433 0.016256 0.019064 0.003903 0.006918 0.003572 1Rh 1dxz 0.006139 -0.004158 0.007683 -0.010623 -0.008594 0.007100 1Rh 1dyz 0.011976 0.001611 -0.013803 -0.013403 0.006753 0.005606 1Rh 1dx2y2 -0.004244 -0.012813 0.012072 -0.006396 0.000070 -0.002911 1Rh 1dxy -0.011535 -0.003329 0.000044 -0.012747 0.011762 -0.000944 1Rh 2dz2 -0.000017 -0.000984 -0.001255 0.000773 -0.000358 -0.000017 1Rh 2dxz -0.000156 0.000162 -0.000986 0.000413 0.000039 0.000182 1Rh 2dyz -0.000077 -0.000079 0.001290 0.000900 -0.000544 -0.000476 1Rh 2dx2y2 0.000111 0.000812 -0.001043 -0.000127 -0.000102 -0.000761 1Rh 2dxy -0.000179 0.000227 0.000108 0.000484 -0.000532 -0.000397 1Rh 3dz2 -0.013134 -0.024949 -0.029122 -0.010262 -0.010882 -0.006381 1Rh 3dxz -0.010329 0.006874 -0.009806 0.017314 0.015237 -0.013597 1Rh 3dyz -0.020973 -0.002453 0.019385 0.020090 -0.009731 -0.008084 1Rh 3dx2y2 0.007087 0.019454 -0.017436 0.012032 0.000327 0.008415 1Rh 3dxy 0.021356 0.005015 -0.000574 0.020872 -0.018917 0.003461 1Rh 4dz2 -0.010237 -0.034156 -0.040658 0.005728 -0.014633 -0.004288 1Rh 4dxz -0.009615 0.007536 -0.022255 0.020548 0.012258 -0.006229 1Rh 4dyz -0.017601 -0.003969 0.036085 0.031681 -0.017363 -0.014208 1Rh 4dx2y2 0.006328 0.026905 -0.028766 0.005924 -0.001355 -0.007449 1Rh 4dxy 0.013071 0.007015 0.001876 0.023159 -0.022937 -0.005524 1Rh 5dz2 -0.036331 -0.016156 -0.015658 -0.068622 0.008363 -0.029650 1Rh 5dxz -0.036918 0.002730 0.021058 -0.004964 0.026018 -0.049618 1Rh 5dyz -0.038565 0.004416 -0.042464 -0.016762 0.016369 0.003217 1Rh 5dx2y2 0.039725 0.021086 0.001708 0.051683 -0.005069 0.077961 1Rh 5dxy 0.058806 0.006350 -0.016635 0.030562 -0.014007 0.057058 1Rh 1f0 -0.001866 0.001092 -0.003248 -0.001631 -0.001907 0.002595 1Rh 1f+1 -0.000396 -0.000622 0.002723 -0.002921 -0.008075 0.001800 1Rh 1f-1 -0.001050 -0.001183 0.001246 0.000093 -0.005492 0.005653 1Rh 1f+2 0.004189 0.003410 0.001913 0.002906 0.007067 0.001482 1Rh 1f-2 -0.000937 -0.001596 -0.001235 0.004467 0.000613 0.007259 1Rh 1f+3 0.003903 -0.000544 -0.004072 -0.001678 -0.004633 -0.003555 1Rh 1f-3 -0.003100 0.000181 -0.001328 0.000036 -0.001500 0.009623 2C 1s 0.001753 0.008778 -0.001364 0.001019 0.004785 0.002635 2C 2s 0.003940 0.019148 -0.003026 0.002177 0.009672 0.006219 2C 3s -0.016895 -0.017315 0.007065 -0.010075 0.006322 -0.019523 2C 4s 0.051870 -0.206371 0.020848 0.031199 -0.202237 0.006486 2C 5s -0.761933 1.152043 -0.982116 0.122158 -0.050940 1.388670 2C 1pz -0.009881 -0.046837 -0.012701 -0.034607 -0.032764 -0.012794 2C 1px -0.005308 0.019633 -0.014005 0.024936 -0.016004 0.010375 2C 1py -0.017479 -0.022296 0.047194 0.013834 -0.011337 0.010700 2C 2pz 0.033903 -0.004641 -0.023533 -0.007866 0.011978 0.035354 2C 2px -0.033530 0.018979 0.001985 0.041795 -0.044254 0.012844 2C 2py 0.011322 -0.001717 0.012074 0.059362 -0.022318 0.016752 2C 3pz -0.659981 0.585034 0.197686 0.456591 -0.141114 0.462067 2C 3px 0.432069 -1.370781 0.379862 -1.381861 -0.227003 1.226221 2C 3py 0.268029 0.174019 -0.819098 -0.390756 -0.224166 0.026300 2C 1dz2 0.005343 -0.002746 -0.000250 -0.003250 0.001052 0.003007 2C 1dxz -0.011207 -0.006898 0.003817 0.000567 -0.004283 -0.003677 2C 1dyz 0.002296 0.004843 -0.000661 0.006537 0.002997 -0.000771 2C 1dx2y2 -0.000028 0.011035 0.000112 0.007524 0.002180 -0.002144 2C 1dxy -0.002687 0.001046 -0.007459 0.002899 -0.002363 -0.008161 2C 2dz2 0.026819 0.013713 -0.024075 -0.010109 0.028146 -0.003351 2C 2dxz 0.023931 0.075257 -0.048331 0.061231 -0.011295 -0.032017 2C 2dyz 0.018888 0.002519 0.010750 -0.002610 0.031023 0.017110 2C 2dx2y2 -0.005701 -0.055791 -0.006452 -0.037147 -0.028017 -0.014456 2C 2dxy -0.011698 0.013602 0.031581 0.039159 0.001712 0.007512 2C 1f0 0.001696 -0.005000 -0.004140 -0.005836 -0.001785 -0.002238 2C 1f+1 -0.001173 0.000357 0.003778 0.000995 0.000454 0.001542 2C 1f-1 0.003041 0.003947 0.000266 0.003745 0.002701 0.000555 2C 1f+2 0.000686 0.005429 -0.001160 0.003564 0.000592 -0.001753 2C 1f-2 0.002062 0.001088 -0.003682 0.003245 -0.003830 -0.001430 2C 1f+3 0.002306 0.003203 -0.004528 0.000900 0.000944 -0.003144 2C 1f-3 -0.001737 -0.003923 0.003019 -0.004097 0.001122 0.001547 3C 1s -0.004472 0.002269 0.000870 0.001619 0.000547 0.000484 3C 2s -0.008870 0.004759 0.001895 0.003167 0.000368 0.001369 3C 3s -0.009821 0.000998 -0.009056 0.000089 0.015746 -0.014921 3C 4s 0.203640 -0.064468 0.009612 -0.046021 -0.103846 0.081092 3C 5s -0.655146 0.055119 1.065373 -0.243126 0.191594 -1.642666 3C 1pz -0.009067 0.007555 -0.047944 -0.013110 -0.010936 -0.004664 3C 1px 0.002254 0.022000 -0.015714 0.003148 0.004896 0.015814 3C 1py -0.030657 -0.022690 -0.014111 0.005210 0.002517 0.043874 3C 2pz -0.031922 0.017582 0.002356 0.028523 0.013320 -0.020208 3C 2px 0.005166 0.043175 -0.012558 -0.049177 0.041931 0.028728 3C 2py 0.008226 -0.015245 -0.024637 -0.019328 0.012095 0.039063 3C 3pz -0.222578 0.675933 0.797324 0.003412 0.746799 -0.191922 3C 3px 0.835690 -0.710447 0.337417 0.474393 -1.244729 -0.709994 3C 3py 0.176378 -0.164790 0.306143 0.423531 0.182806 0.246014 3C 1dz2 0.000523 -0.002433 -0.004578 0.000962 -0.005473 0.001758 3C 1dxz 0.002092 -0.003942 0.001766 -0.005097 0.001659 -0.004817 3C 1dyz 0.001785 -0.000567 -0.005016 -0.006170 -0.001243 -0.004592 3C 1dx2y2 -0.003400 0.006995 0.003335 -0.002411 0.007695 0.001257 3C 1dxy 0.004028 -0.000572 0.003455 0.007508 -0.007195 0.000530 3C 2dz2 0.005416 -0.004036 0.002599 0.005161 -0.009800 -0.007902 3C 2dxz -0.024047 0.020925 -0.009301 0.006233 0.016723 0.046326 3C 2dyz 0.022780 0.040195 0.034029 0.000371 0.032079 -0.020600 3C 2dx2y2 0.013295 -0.002293 -0.050934 -0.032817 -0.017729 0.003875 3C 2dxy 0.003447 -0.017958 -0.025367 0.000463 -0.036939 -0.027862 3C 1f0 0.000410 -0.002019 -0.006089 -0.002919 -0.003995 -0.000605 3C 1f+1 0.001134 -0.002982 -0.001885 -0.002612 -0.002782 -0.001958 3C 1f-1 0.003749 0.001480 0.004612 0.000276 0.002445 -0.002578 3C 1f+2 -0.001085 0.000863 -0.000871 -0.001527 0.001651 -0.001109 3C 1f-2 -0.002158 0.001332 -0.000556 0.001983 0.001092 -0.000652 3C 1f+3 -0.001708 0.000343 -0.003928 -0.000144 -0.000282 0.005244 3C 1f-3 0.000573 0.003480 0.001285 0.000991 0.002169 0.002335 4C 1s 0.004182 -0.015378 0.005629 0.003847 0.001087 -0.010956 4C 2s 0.007840 -0.035844 0.012561 0.007438 0.000397 -0.022898 4C 3s 0.045281 0.059835 0.000045 0.025112 0.063764 -0.007559 4C 4s -0.506693 0.134661 -0.210687 -0.385294 -0.501442 0.539725 4C 5s 0.871775 1.451043 0.210123 0.295287 1.371516 -1.477269 4C 1pz -0.036843 0.035873 0.030441 -0.010079 0.013499 0.052795 4C 1px -0.009299 0.030154 0.022116 0.028889 -0.026380 0.006521 4C 1py -0.000455 0.014744 -0.067047 -0.038610 -0.063422 -0.025715 4C 2pz 0.054413 0.167616 0.026179 -0.027563 0.034209 0.211939 4C 2px -0.368603 0.030894 0.019679 0.181517 0.004686 -0.144974 4C 2py -0.055660 0.073942 -0.171838 -0.065666 -0.138416 -0.133735 4C 3pz 0.376654 0.927081 -0.878895 -0.507071 -0.389073 1.200503 4C 3px -2.206964 0.538426 -0.612919 1.192225 -0.275472 -1.961479 4C 3py -0.931152 0.708173 0.140711 0.457959 0.074374 0.721460 4C 1dz2 -0.002038 -0.000017 -0.003239 0.002086 -0.002761 -0.001537 4C 1dxz 0.006601 0.011042 -0.002969 0.002012 0.009418 0.004591 4C 1dyz -0.003606 -0.009801 0.002614 -0.002187 -0.006810 0.001660 4C 1dx2y2 -0.002301 -0.011924 0.000139 -0.003520 -0.005612 -0.000494 4C 1dxy 0.001001 -0.007987 0.002226 -0.002468 0.000150 0.004267 4C 2dz2 0.036690 -0.017248 0.009056 -0.043215 -0.017378 0.024898 4C 2dxz -0.096681 -0.046481 0.023382 0.033639 -0.012620 -0.039476 4C 2dyz -0.042950 -0.016982 0.000729 -0.032618 -0.039899 -0.017429 4C 2dx2y2 0.003602 0.039744 -0.013205 0.024337 0.007706 0.017757 4C 2dxy -0.073361 -0.018072 -0.025715 0.024589 -0.027314 -0.039028 4C 1f0 0.003025 0.003403 0.000961 0.004442 0.002811 0.002113 4C 1f+1 0.000846 -0.002877 -0.001357 0.001134 0.002217 -0.002794 4C 1f-1 0.004178 0.000582 -0.000415 -0.001163 0.000511 0.004023 4C 1f+2 -0.001062 -0.001241 -0.000190 -0.005388 -0.002108 0.002358 4C 1f-2 -0.006353 -0.003241 0.003640 0.000757 0.000088 -0.000499 4C 1f+3 0.000064 -0.001825 -0.002322 -0.002942 -0.001659 0.000731 4C 1f-3 0.006246 0.001785 0.005148 0.000987 0.003158 -0.000723 5C 1s -0.001925 0.004836 -0.006079 0.002788 0.007197 0.003039 5C 2s -0.003056 0.010231 -0.013634 0.005230 0.014662 0.004902 5C 3s -0.040673 -0.019678 0.005953 0.021673 0.015313 0.061614 5C 4s 0.383127 -0.093477 0.188564 -0.292496 -0.433456 -0.574840 5C 5s -0.406845 0.675701 -0.263611 0.575386 0.591560 1.837331 5C 1pz 0.041497 -0.004447 0.066506 0.027815 0.010518 -0.077364 5C 1px 0.039264 0.027912 0.015109 -0.041816 0.012907 -0.005847 5C 1py 0.018529 -0.008975 0.035091 0.022759 0.044770 -0.007765 5C 2pz 0.182480 -0.002536 0.172834 0.153065 0.000699 -0.181104 5C 2px -0.127470 0.068573 0.025260 -0.355977 0.176856 -0.074007 5C 2py -0.000291 -0.010864 0.021733 -0.020498 0.143099 -0.085151 5C 3pz 0.110074 -0.094747 -0.125191 0.168531 -1.113811 0.069528 5C 3px -1.424576 0.770555 -0.104931 -1.852379 2.066902 -0.529573 5C 3py -0.326965 -0.384294 -1.102340 -0.222753 0.267920 1.045719 5C 1dz2 -0.001919 -0.000381 -0.000505 -0.000730 0.003755 0.001367 5C 1dxz -0.003555 0.000407 0.000225 0.003897 -0.002203 0.002549 5C 1dyz -0.005800 0.000698 0.003952 0.005251 0.000005 0.007752 5C 1dx2y2 0.004194 -0.002962 -0.004760 0.001702 -0.006211 -0.001343 5C 1dxy 0.001501 0.002491 -0.001091 -0.004749 0.005352 -0.000430 5C 2dz2 -0.006240 -0.015621 -0.012926 0.026035 -0.017154 0.006015 5C 2dxz -0.000955 -0.014383 -0.003432 -0.056178 0.021161 -0.023233 5C 2dyz -0.050844 -0.015570 -0.009408 -0.016517 0.026224 0.040291 5C 2dx2y2 -0.031048 0.023126 0.024675 -0.039610 0.040878 -0.009695 5C 2dxy 0.010902 0.000949 0.018025 0.083605 -0.031699 0.009644 5C 1f0 -0.002176 0.001343 -0.001744 -0.001913 0.002311 0.002050 5C 1f+1 -0.002533 -0.000287 -0.004756 0.003377 0.002499 0.002760 5C 1f-1 -0.001813 -0.000255 -0.002512 -0.003493 -0.000096 0.001496 5C 1f+2 0.000262 0.000828 0.002594 0.000214 0.002043 -0.003178 5C 1f-2 0.004687 0.001863 0.000770 0.005523 -0.003285 -0.001021 5C 1f+3 -0.002603 -0.002696 0.000617 0.001976 0.001306 -0.000060 5C 1f-3 0.002873 -0.000528 -0.002055 -0.004301 -0.000292 -0.005094 6C 1s 0.001151 0.004871 -0.006182 -0.002987 -0.007202 -0.003289 6C 2s 0.001390 0.010167 -0.013856 -0.005691 -0.014683 -0.005473 6C 3s 0.041972 -0.013999 0.006311 -0.021136 -0.014345 -0.059077 6C 4s -0.358418 -0.136640 0.190794 0.295994 0.426036 0.566307 6C 5s 0.337353 0.708907 -0.257063 -0.564951 -0.584604 -1.839291 6C 1pz 0.039756 0.008628 -0.066850 0.027878 0.011422 -0.077515 6C 1px 0.041553 -0.023223 -0.015566 -0.042679 0.013483 -0.005803 6C 1py 0.017452 0.010916 -0.035131 0.023268 0.045216 -0.007209 6C 2pz 0.177108 0.021337 -0.176460 0.153027 0.002642 -0.180296 6C 2px -0.120259 -0.076798 -0.019458 -0.358960 0.177755 -0.073705 6C 2py 0.000949 0.011653 -0.020795 -0.019010 0.143001 -0.085742 6C 3pz 0.087181 0.088142 0.118303 0.161247 -1.112305 0.096460 6C 3px -1.351591 -0.900236 0.157575 -1.887015 2.072328 -0.574199 6C 3py -0.326339 0.363852 1.111393 -0.192451 0.253737 1.031925 6C 1dz2 0.002021 -0.000067 -0.000502 0.000847 -0.003729 -0.001165 6C 1dxz 0.003566 0.000890 0.000240 -0.003887 0.002207 -0.002545 6C 1dyz 0.005835 0.001460 0.003999 -0.005122 0.000084 -0.007556 6C 1dx2y2 -0.003982 -0.003495 -0.004718 -0.001934 0.006215 0.001041 6C 1dxy -0.001793 0.002247 -0.001136 0.004834 -0.005356 0.000586 6C 2dz2 0.007155 -0.014467 -0.012109 -0.026508 0.018104 -0.004374 6C 2dxz 0.001223 -0.014443 -0.003737 0.055686 -0.020993 0.024360 6C 2dyz 0.051190 -0.009341 -0.009855 0.016534 -0.025653 -0.038817 6C 2dx2y2 0.030011 0.025602 0.023688 0.040719 -0.041273 0.007210 6C 2dxy -0.010029 0.001678 0.019730 -0.083855 0.031389 -0.009535 6C 1f0 -0.001940 -0.001547 0.001786 -0.001897 0.002288 0.001999 6C 1f+1 -0.002422 -0.000066 0.004781 0.003392 0.002412 0.002519 6C 1f-1 -0.001792 0.000094 0.002589 -0.003493 -0.000128 0.001515 6C 1f+2 0.000306 -0.000777 -0.002546 0.000217 0.002057 -0.003252 6C 1f-2 0.004720 -0.001374 -0.000874 0.005517 -0.003200 -0.000888 6C 1f+3 -0.002751 0.002277 -0.000663 0.002014 0.001243 -0.000365 6C 1f-3 0.002739 0.000950 0.002117 -0.004287 -0.000244 -0.004875 7C 1s -0.002259 -0.015775 0.005876 -0.003684 -0.001007 0.011105 7C 2s -0.003401 -0.036561 0.013109 -0.007092 -0.000211 0.023266 7C 3s -0.051138 0.054404 -0.000489 -0.024472 -0.064465 0.004226 7C 4s 0.477460 0.190747 -0.218068 0.373660 0.503228 -0.521546 7C 5s -1.024728 1.340272 0.202605 -0.264532 -1.372458 1.467566 7C 1pz -0.033581 -0.039041 -0.029855 -0.010421 0.013844 0.052290 7C 1px -0.006223 -0.031333 -0.022375 0.028515 -0.025925 0.006619 7C 1py 0.002206 -0.015473 0.066759 -0.037956 -0.063583 -0.025920 7C 2pz 0.073662 -0.159397 -0.027127 -0.026888 0.035390 0.211576 7C 2px -0.363550 -0.072084 -0.015343 0.181681 0.004593 -0.146483 7C 2py -0.042886 -0.082345 0.171906 -0.063174 -0.138481 -0.134323 7C 3pz 0.484718 -0.883469 0.877806 -0.491975 -0.398395 1.192898 7C 3px -2.120866 -0.788675 0.650855 1.199281 -0.284665 -2.029820 7C 3py -0.844437 -0.821941 -0.123538 0.470890 0.078649 0.687541 7C 1dz2 0.002028 0.000187 -0.003260 -0.002127 0.002793 0.001625 7C 1dxz -0.007824 0.010233 -0.002995 -0.001983 -0.009450 -0.004842 7C 1dyz 0.004657 -0.009310 0.002673 0.002111 0.006827 -0.001440 7C 1dx2y2 0.003589 -0.011717 0.000228 0.003579 0.005714 0.000577 7C 1dxy -0.000160 -0.008082 0.002326 0.002423 -0.000104 -0.004221 7C 2dz2 -0.034240 -0.021792 0.009622 0.043370 0.017396 -0.024872 7C 2dxz 0.102797 -0.035745 0.022516 -0.033324 0.012504 0.038242 7C 2dyz 0.044605 -0.012444 0.001275 0.032416 0.040051 0.019210 7C 2dx2y2 -0.009167 0.039797 -0.012931 -0.024935 -0.007444 -0.016729 7C 2dxy 0.074556 -0.009356 -0.026373 -0.025762 0.027728 0.040139 7C 1f0 0.003336 -0.003031 -0.001024 0.004366 0.002867 0.002245 7C 1f+1 0.000390 0.002939 0.001373 0.001096 0.002210 -0.002573 7C 1f-1 0.004286 -0.000127 0.000416 -0.001134 0.000514 0.004109 7C 1f+2 -0.001115 0.001130 0.000209 -0.005320 -0.002169 0.002041 7C 1f-2 -0.006764 0.002584 -0.003564 0.000713 0.000094 -0.000485 7C 1f+3 -0.000104 0.001900 0.002274 -0.002976 -0.001673 0.000667 7C 1f-3 0.006243 -0.001030 -0.005206 0.000885 0.003244 -0.000589 8C 1s 0.004311 0.002893 0.000878 -0.001508 -0.000473 -0.000206 8C 2s 0.008532 0.006001 0.001927 -0.002924 -0.000202 -0.000794 8C 3s 0.009739 0.002220 -0.009411 -0.000269 -0.015931 0.015566 8C 4s -0.199618 -0.093006 0.011357 0.042962 0.102314 -0.095850 8C 5s 0.698081 0.166970 1.050749 0.283181 -0.206242 1.668481 8C 1pz -0.007323 -0.008370 0.048609 -0.012756 -0.011051 -0.003949 8C 1px 0.004746 -0.020830 0.015987 0.003091 0.004839 0.015738 8C 1py -0.032875 0.018667 0.014299 0.004778 0.001993 0.042826 8C 2pz -0.030267 -0.021682 -0.000817 0.028106 0.013617 -0.019061 8C 2px 0.010025 -0.040947 0.013326 -0.049871 0.041529 0.027706 8C 2py 0.007333 0.016407 0.025397 -0.019530 0.011808 0.037473 8C 3pz -0.168009 -0.691521 -0.796762 -0.020473 0.751306 -0.213939 8C 3px 0.764388 0.780890 -0.360728 0.489640 -1.248950 -0.694155 8C 3py 0.165652 0.187861 -0.315790 0.431632 0.178296 0.240648 8C 1dz2 -0.000389 -0.002508 -0.004550 -0.001030 0.005541 -0.001794 8C 1dxz -0.001756 -0.004062 0.001884 0.005014 -0.001729 0.004932 8C 1dyz -0.001847 -0.000815 -0.004988 0.006124 0.001264 0.004661 8C 1dx2y2 0.002752 0.007262 0.003182 0.002600 -0.007720 -0.001076 8C 1dxy -0.003904 -0.000828 0.003704 -0.007608 0.007155 -0.000652 8C 2dz2 -0.004667 -0.004110 0.002557 -0.005495 0.009646 0.007373 8C 2dxz 0.022550 0.023051 -0.010258 -0.005135 -0.016370 -0.046350 8C 2dyz -0.025851 0.036755 0.033497 0.000476 -0.032753 0.020217 8C 2dx2y2 -0.014137 -0.004264 -0.050837 0.032307 0.017584 -0.004348 8C 2dxy -0.002197 -0.018402 -0.025770 -0.001333 0.037300 0.027112 8C 1f0 0.000315 0.002119 0.006108 -0.002885 -0.004037 -0.000520 8C 1f+1 0.000856 0.003016 0.001771 -0.002496 -0.002729 -0.001940 8C 1f-1 0.003838 -0.001053 -0.004660 0.000273 0.002532 -0.002522 8C 1f+2 -0.000998 -0.001021 0.000802 -0.001569 0.001665 -0.001288 8C 1f-2 -0.002114 -0.001555 0.000668 0.001928 0.001068 -0.000733 8C 1f+3 -0.001659 -0.000466 0.003977 -0.000225 -0.000329 0.005259 8C 1f-3 0.000817 -0.003345 -0.001175 0.000913 0.002198 0.002447 9C 1s -0.002623 0.008514 -0.001489 -0.000901 -0.004823 -0.002776 9C 2s -0.005859 0.018544 -0.003272 -0.001905 -0.009748 -0.006559 9C 3s 0.019298 -0.015076 0.006283 0.009738 -0.006394 0.020838 9C 4s -0.035554 -0.211288 0.029924 -0.033312 0.203936 -0.008624 9C 5s 0.626788 1.249487 -1.011785 -0.160884 0.051101 -1.349915 9C 1pz -0.015165 0.045704 0.012364 -0.034623 -0.033148 -0.014238 9C 1px -0.002402 -0.019905 0.014148 0.024638 -0.016015 0.009612 9C 1py -0.020980 0.020393 -0.047828 0.013157 -0.011410 0.010192 9C 2pz 0.033827 0.007816 0.023007 -0.006816 0.011643 0.034465 9C 2px -0.030708 -0.022637 -0.000784 0.040316 -0.043757 0.011838 9C 2py 0.010882 0.002992 -0.014343 0.058506 -0.021882 0.017841 9C 3pz -0.584520 -0.673172 -0.192394 0.465192 -0.127535 0.437772 9C 3px 0.256658 1.416977 -0.400344 -1.378093 -0.229337 1.254874 9C 3py 0.276774 -0.122557 0.821039 -0.395549 -0.246448 0.042264 9C 1dz2 -0.005063 -0.003248 -0.000222 0.003174 -0.001065 -0.003072 9C 1dxz 0.011941 -0.005671 0.003707 -0.000484 0.004281 0.003917 9C 1dyz -0.002897 0.004534 -0.000502 -0.006595 -0.003026 0.000717 9C 1dx2y2 -0.001213 0.011013 0.000352 -0.007493 -0.002283 0.002115 9C 1dxy 0.002504 0.001556 -0.007535 -0.003173 0.002426 0.008246 9C 2dz2 -0.028172 0.010081 -0.024097 0.010268 -0.027971 0.001915 9C 2dxz -0.033289 0.072910 -0.047940 -0.062182 0.011123 0.031787 9C 2dyz -0.019613 0.000857 0.009403 0.002868 -0.031162 -0.018200 9C 2dx2y2 0.012002 -0.055745 -0.007570 0.038098 0.028971 0.015136 9C 2dxy 0.010182 0.014628 0.031198 -0.038392 -0.001804 -0.006765 9C 1f0 0.001161 0.005225 0.004241 -0.005833 -0.001906 -0.002199 9C 1f+1 -0.001207 -0.000332 -0.003688 0.000789 0.000416 0.001512 9C 1f-1 0.003493 -0.003568 -0.000433 0.003701 0.002777 0.000697 9C 1f+2 0.001213 -0.005324 0.001057 0.003506 0.000712 -0.001769 9C 1f-2 0.002314 -0.001010 0.003535 0.003410 -0.003794 -0.001375 9C 1f+3 0.002732 -0.003037 0.004689 0.001030 0.000883 -0.003074 9C 1f-3 -0.002177 0.003637 -0.002772 -0.004179 0.001190 0.001437 10H 1s 0.029541 0.034795 -0.001260 0.007470 0.021216 0.016073 10H 2s 0.190134 0.475226 -0.067286 0.292700 0.172725 -0.002033 10H 3s -0.235910 0.602857 0.021236 0.505269 -0.054870 -0.585705 10H 1pz -0.005602 0.017496 0.000821 0.016876 0.000690 -0.003706 10H 1px -0.013718 -0.022538 0.007070 -0.013588 -0.010847 -0.002614 10H 1py 0.001139 0.007668 -0.012348 0.005437 -0.003209 -0.008770 11H 1s -0.019457 -0.012143 0.016886 -0.009183 -0.010512 0.008248 11H 2s -0.170900 -0.164142 0.334133 -0.112428 0.006965 0.172135 11H 3s -0.068889 -0.566285 0.185480 -0.324625 -0.380562 0.354818 11H 1pz -0.004558 0.003443 0.020340 0.003149 0.010510 0.009692 11H 1px -0.007844 -0.018017 0.014245 -0.012793 0.002155 0.005612 11H 1py 0.006544 -0.003571 -0.006479 -0.005389 -0.002448 0.003223 12H 1s -0.009521 -0.009130 -0.013125 -0.004537 -0.011954 -0.007956 12H 2s 0.038925 -0.168250 -0.223062 -0.199160 -0.112798 -0.123985 12H 3s 0.204477 -0.427736 0.067763 -0.410897 -0.154619 0.297834 12H 1pz 0.005951 -0.000874 0.001400 -0.006900 -0.000428 0.005469 12H 1px -0.002299 -0.019642 0.000550 -0.017470 -0.004446 0.002037 12H 1py 0.004832 -0.000738 -0.019624 -0.008287 -0.002096 -0.013936 13H 1s -0.006456 0.012393 0.005888 0.030431 -0.012372 0.015400 13H 2s -0.128377 0.214221 0.080733 0.236586 0.088380 0.209687 13H 3s -0.248083 0.607472 -0.133816 -0.373831 0.524165 0.295686 13H 1pz -0.004292 0.010948 0.014448 0.010569 0.011981 0.004194 13H 1px 0.005168 -0.001175 -0.000875 -0.013338 0.001777 -0.010570 13H 1py 0.005638 -0.008086 0.003965 0.002929 -0.010115 -0.001859 14H 1s -0.000121 0.009789 0.010452 -0.015311 0.015380 -0.008199 14H 2s 0.086375 0.010177 0.208008 -0.056941 0.084419 -0.161997 14H 3s 0.356939 -0.091764 -0.018091 0.214133 -0.536801 -0.027287 14H 1pz -0.001676 0.007399 0.016303 0.003501 0.011163 -0.004259 14H 1px 0.005442 -0.007051 0.009796 -0.004618 0.001845 -0.014337 14H 1py -0.007360 0.003061 0.000713 -0.005801 0.012405 0.004727 15H 1s 0.005341 -0.004021 -0.019083 -0.013465 -0.011251 -0.014256 15H 2s -0.010991 -0.128755 -0.354665 -0.148780 -0.212379 -0.011323 15H 3s 0.445609 -0.125900 -0.156938 -0.054835 -0.428728 -0.170709 15H 1pz 0.004266 0.007303 0.012062 0.006907 0.001804 0.002487 15H 1px 0.003019 -0.008188 -0.005104 -0.004415 -0.007451 -0.004437 15H 1py 0.009778 0.005006 0.024075 0.005371 0.009745 -0.011295 16H 1s 0.010116 -0.009534 -0.000759 0.017543 0.033418 -0.010606 16H 2s 0.129748 -0.053023 -0.034629 0.324481 0.151399 -0.022276 16H 3s -0.267842 0.077426 0.072166 -0.374038 0.308116 -0.324235 16H 1pz 0.009279 -0.002480 -0.004910 0.028069 0.000481 0.003122 16H 1px 0.000822 -0.005366 0.001891 -0.006540 0.013398 -0.005984 16H 1py 0.003457 -0.000928 -0.000870 0.008188 0.002734 -0.000052 17H 1s -0.001609 0.020931 0.000271 -0.023887 -0.028653 -0.014209 17H 2s 0.107921 0.069818 0.035238 -0.211268 -0.233312 0.049671 17H 3s -0.444038 0.321989 -0.061803 -0.063022 0.073388 -0.467528 17H 1pz -0.006239 -0.001948 -0.002949 0.010322 0.012022 -0.001205 17H 1px -0.013646 0.009089 -0.005030 0.006688 0.000893 -0.018691 17H 1py 0.004883 0.000008 0.002031 -0.005475 -0.008037 0.003550 18H 1s 0.000046 0.020945 0.000091 0.024056 0.028723 0.012689 18H 2s -0.106132 0.058125 0.034523 0.209273 0.235269 -0.060564 18H 3s 0.406282 0.369184 -0.069600 0.069374 -0.073017 0.471117 18H 1pz -0.006121 0.001199 0.003129 0.010637 0.012187 -0.002116 18H 1px -0.012134 -0.010508 0.005132 0.006432 0.000951 -0.018790 18H 1py 0.004264 0.000298 -0.001898 -0.004931 -0.007982 0.003553 19H 1s -0.009423 -0.010285 -0.000821 -0.017425 -0.032950 0.012235 19H 2s -0.128127 -0.062470 -0.033176 -0.327807 -0.145790 0.037729 19H 3s 0.263967 0.103981 0.062971 0.381001 -0.308028 0.321901 19H 1pz 0.009381 0.003242 0.004648 0.028133 0.000162 0.002211 19H 1px 0.000139 0.005478 -0.001849 -0.007021 0.013356 -0.006217 19H 1py 0.003610 0.001253 0.001014 0.009088 0.002561 -0.000489 20H 1s -0.005106 -0.004596 -0.019078 0.013373 0.011200 0.014051 20H 2s 0.018769 -0.126952 -0.354145 0.145036 0.214901 0.009446 20H 3s -0.438423 -0.179936 -0.154000 0.041769 0.430427 0.153130 20H 1pz 0.004891 -0.006693 -0.012114 0.006854 0.001797 0.002554 20H 1px 0.002359 0.008418 0.005129 -0.004241 -0.007636 -0.004506 20H 1py 0.009921 -0.003820 -0.024072 0.005207 0.009957 -0.011194 21H 1s -0.000987 0.009682 0.010391 0.015504 -0.015258 0.008989 21H 2s -0.087229 0.002201 0.210976 0.056726 -0.084284 0.168371 21H 3s -0.353335 -0.131109 -0.007107 -0.218506 0.538092 0.017855 21H 1pz -0.001177 -0.007542 -0.016384 0.003240 0.011302 -0.004607 21H 1px 0.004744 0.007458 -0.009899 -0.004460 0.001764 -0.014637 21H 1py -0.007022 -0.003719 -0.000463 -0.006001 0.012338 0.004343 22H 1s 0.005479 0.013258 0.006068 -0.030380 0.012455 -0.015758 22H 2s 0.111075 0.225785 0.078859 -0.232004 -0.088199 -0.210129 22H 3s 0.184653 0.619360 -0.141386 0.385723 -0.526989 -0.291852 22H 1pz -0.003533 -0.011299 -0.014356 0.010101 0.012067 0.003866 22H 1px 0.005253 0.001835 0.000932 -0.013336 0.001777 -0.010687 22H 1py 0.004947 0.008486 -0.004220 0.003084 -0.010127 -0.001781 23H 1s 0.010581 -0.008405 -0.013419 0.004882 0.012298 0.007630 23H 2s -0.018781 -0.175507 -0.226219 0.201199 0.117838 0.118394 23H 3s -0.140751 -0.459313 0.075835 0.414574 0.166786 -0.308079 23H 1pz 0.005728 0.001345 -0.001554 -0.006765 -0.000391 0.005493 23H 1px -0.004686 0.019318 -0.000575 -0.017459 -0.004498 0.002278 23H 1py 0.004785 0.001629 0.019855 -0.008470 -0.002348 -0.013707 24H 1s 0.021104 -0.009512 0.016720 0.009074 0.010282 -0.007475 24H 2s 0.193069 -0.142332 0.331340 0.115710 -0.010193 -0.167873 24H 3s 0.125633 -0.556863 0.198436 0.330212 0.375316 -0.361885 24H 1pz -0.004354 -0.004126 -0.020030 0.002966 0.010696 0.009618 24H 1px -0.010315 0.017009 -0.014112 -0.012905 0.002236 0.005603 24H 1py 0.006084 0.004738 0.006082 -0.005687 -0.002523 0.003742 25H 1s -0.033378 0.031249 -0.000872 -0.007209 -0.021390 -0.016724 25H 2s -0.245591 0.452041 -0.063222 -0.292062 -0.175361 -0.000673 25H 3s 0.161759 0.631038 0.016035 -0.499415 0.052199 0.598547 25H 1pz -0.003329 -0.018343 -0.000900 0.017064 0.000989 -0.003968 25H 1px -0.016384 0.020940 -0.007000 -0.013736 -0.010913 -0.002754 25H 1py 0.001793 -0.007186 0.012254 0.005392 -0.003478 -0.008844 26O 1s -0.011189 0.010605 -0.004363 0.004546 -0.008581 -0.000541 26O 2s -0.029021 0.026639 -0.010776 0.012049 -0.021502 -0.002106 26O 3s 0.070085 -0.054885 0.018504 -0.033566 0.042894 0.014620 26O 4s -0.081102 -0.004894 0.018306 0.048932 0.012531 -0.063200 26O 5s 1.718729 -0.872458 0.407411 -0.862711 0.445398 0.739797 26O 1pz -0.038722 0.005175 0.012088 0.023948 0.000605 -0.062537 26O 1px 0.008068 0.064649 -0.001800 -0.006641 0.017808 0.004283 26O 1py -0.022714 0.005267 -0.040820 0.034168 0.009700 -0.011644 26O 2pz -0.032577 0.038311 -0.009772 0.028781 -0.018651 -0.039764 26O 2px -0.043456 0.063821 -0.020775 0.014829 -0.006144 -0.010105 26O 2py -0.051494 0.029800 -0.036207 0.061546 -0.006038 0.003383 26O 3pz -0.100643 -0.170656 0.114856 0.024032 0.244147 -0.374093 26O 3px -0.596270 0.300641 -0.123459 0.025637 0.002909 -0.173269 26O 3py -0.242629 -0.015887 -0.111736 -0.016910 0.154413 -0.277546 26O 1dz2 0.001507 -0.002105 -0.000314 0.000090 0.000820 0.000919 26O 1dxz 0.000811 -0.000545 -0.000464 0.000760 0.000313 -0.000794 26O 1dyz 0.000194 -0.000481 0.000005 -0.000490 -0.001868 -0.000422 26O 1dx2y2 -0.003026 0.000480 -0.001961 -0.000835 -0.001969 0.001118 26O 1dxy -0.001768 0.001473 0.000356 0.000349 -0.000786 0.001166 26O 2dz2 -0.018552 -0.007192 -0.009660 0.002821 -0.002896 -0.012361 26O 2dxz 0.004327 -0.002039 0.000396 -0.008132 0.001039 0.000702 26O 2dyz -0.002690 -0.013582 0.007756 -0.006173 -0.003685 -0.001839 26O 2dx2y2 0.029923 -0.000052 0.002892 -0.002628 -0.000713 0.018543 26O 2dxy 0.028460 -0.001512 0.002077 -0.011167 -0.002520 0.012385 26O 1f0 0.000352 -0.000830 0.000541 -0.000404 -0.000312 0.000148 26O 1f+1 0.001905 0.000426 0.000740 -0.000199 0.000799 0.000137 26O 1f-1 0.000584 -0.000649 0.000629 -0.000810 0.000874 -0.000145 26O 1f+2 -0.000613 0.000567 0.000365 0.000672 -0.000540 0.000376 26O 1f-2 0.000041 0.001518 -0.000195 0.000375 0.001360 -0.000191 26O 1f+3 0.001215 0.000155 -0.000323 0.000012 0.000339 0.000551 26O 1f-3 0.002098 -0.000653 0.000265 -0.000397 0.000106 0.000779 27O 1s -0.001149 0.003181 0.003630 -0.011467 0.004503 -0.006576 27O 2s -0.003565 0.008253 0.008707 -0.028955 0.012518 -0.016462 27O 3s 0.018074 -0.020512 -0.011640 0.059073 -0.042931 0.032441 27O 4s -0.068227 0.024247 -0.033775 -0.009774 0.090767 0.008307 27O 5s 0.695012 -0.560857 -0.197083 1.333349 -1.129141 0.460372 27O 1pz -0.008215 0.025914 0.031065 -0.018310 0.024378 0.034231 27O 1px -0.028167 0.003294 0.020768 -0.002241 0.009504 0.002458 27O 1py 0.001410 0.005652 0.017186 0.032266 -0.066081 -0.026087 27O 2pz -0.001247 0.032498 0.027375 -0.014725 0.016497 0.037752 27O 2px -0.031113 0.016060 0.028871 -0.048621 0.029148 -0.017043 27O 2py -0.021648 -0.009617 -0.012207 0.022171 -0.054996 -0.008979 27O 3pz -0.099633 0.005296 -0.028728 0.040317 0.100308 0.118775 27O 3px -0.271165 0.118183 0.083058 -0.493895 0.214426 -0.161291 27O 3py 0.240521 0.046862 0.208908 0.203120 -0.286481 -0.139800 27O 1dz2 -0.000420 -0.000754 -0.000812 0.002219 0.002147 -0.000065 27O 1dxz -0.001364 0.000122 -0.001879 0.000547 0.000719 0.001767 27O 1dyz -0.000867 0.000640 -0.000048 0.000639 0.000206 0.001193 27O 1dx2y2 0.001568 -0.000015 -0.000248 -0.003360 -0.000478 -0.000690 27O 1dxy -0.000277 -0.000757 -0.000159 0.001521 -0.000340 0.000763 27O 2dz2 -0.013520 0.005279 -0.006266 -0.017952 0.010573 -0.008276 27O 2dxz -0.001284 -0.001129 0.000283 -0.005182 0.003819 -0.005200 27O 2dyz -0.003757 0.004670 0.007115 0.007975 0.000013 0.004351 27O 2dx2y2 0.012968 -0.004094 -0.003297 0.025840 -0.016857 0.012309 27O 2dxy -0.008370 0.001303 0.003373 -0.006862 0.008848 -0.001577 27O 1f0 0.000122 0.000127 -0.000052 -0.000712 0.000143 -0.000409 27O 1f+1 0.000492 -0.000096 0.000290 0.001356 -0.000493 0.000752 27O 1f-1 -0.000412 0.000114 -0.000394 -0.000256 0.000007 0.000287 27O 1f+2 0.000130 0.000558 0.000483 0.000392 0.000005 0.000245 27O 1f-2 0.000486 -0.000243 -0.000393 -0.000762 -0.000120 -0.000719 27O 1f+3 0.000088 -0.000262 -0.000705 0.001566 -0.000242 0.000938 27O 1f-3 -0.001096 0.000573 0.000390 -0.001045 0.000466 -0.000128 28O 1s 0.004692 0.008435 -0.003204 -0.002963 -0.000369 0.011820 28O 2s 0.012665 0.020117 -0.007695 -0.008573 -0.000765 0.030401 28O 3s -0.036581 -0.023903 0.010127 0.032701 -0.000291 -0.071505 28O 4s 0.059042 -0.109823 0.028716 -0.114335 -0.010661 0.056465 28O 5s -1.209950 -0.422605 0.193904 0.979410 0.054067 -1.458787 28O 1pz 0.050543 0.069918 0.020780 -0.012025 0.065709 0.007359 28O 1px 0.011884 -0.043893 0.025373 -0.027150 0.003588 -0.029752 28O 1py 0.040970 0.033564 -0.044912 -0.022028 0.045055 0.014259 28O 2pz 0.050010 0.074416 0.005067 -0.031046 0.039510 0.031194 28O 2px -0.034365 -0.048965 0.029656 -0.002269 0.004015 -0.059276 28O 2py 0.023055 0.020512 -0.061516 -0.035842 0.028420 0.009132 28O 3pz 0.513874 0.286420 0.092598 -0.130132 0.223470 0.250246 28O 3px -0.159808 -0.349272 0.156146 0.178449 0.114545 -0.384280 28O 3py 0.268716 0.111136 0.057868 0.025324 0.176556 0.045590 28O 1dz2 0.000081 -0.000363 -0.000535 0.000273 0.000622 0.001008 28O 1dxz -0.000179 -0.000667 0.000319 0.003532 0.000753 -0.001794 28O 1dyz -0.000429 -0.000604 0.000312 0.000232 -0.000296 0.000423 28O 1dx2y2 -0.001164 0.002057 -0.000973 -0.001665 -0.000602 0.002422 28O 1dxy -0.001014 0.000561 -0.001257 -0.000206 -0.001215 -0.000819 28O 2dz2 0.000248 -0.001137 -0.003890 0.005436 0.001086 -0.000380 28O 2dxz 0.033174 0.014437 -0.004163 -0.007787 -0.003249 0.020698 28O 2dyz -0.004169 -0.007311 0.005916 0.004612 0.003657 -0.000723 28O 2dx2y2 -0.018023 -0.010317 -0.003305 0.003472 0.001451 -0.010314 28O 2dxy 0.002376 -0.000337 0.001509 -0.003789 -0.000213 0.003765 28O 1f0 -0.000676 0.000128 0.001046 0.000499 0.000672 -0.000742 28O 1f+1 -0.000578 -0.000753 -0.000036 0.000732 0.000096 -0.000716 28O 1f-1 0.000516 0.000840 0.000063 0.000461 0.000612 -0.000301 28O 1f+2 0.001173 0.000403 -0.000031 -0.001095 -0.000776 0.001635 28O 1f-2 -0.000451 -0.000971 0.000768 0.000232 0.000151 -0.000254 28O 1f+3 0.000634 0.000351 0.000217 -0.000366 -0.000311 0.000315 28O 1f-3 -0.000315 0.000338 0.000086 0.000665 0.000509 -0.000582 29O 1s 0.008315 0.002695 -0.000346 -0.000823 -0.002277 -0.001200 29O 2s 0.019796 0.006853 -0.000777 -0.002090 -0.005239 -0.003409 29O 3s -0.024119 -0.015257 0.000368 0.005740 0.002976 0.014628 29O 4s -0.078457 -0.006029 0.008240 0.014126 0.037097 -0.025192 29O 5s -0.206976 -0.102392 -0.012735 -0.074064 0.023705 0.069362 29O 1pz -0.002305 -0.005275 0.011071 -0.011051 0.022783 -0.005332 29O 1px 0.026721 -0.009138 0.003042 0.004616 -0.015958 0.043962 29O 1py -0.066843 0.025608 -0.001627 -0.021471 0.007997 0.018764 29O 2pz 0.010672 -0.001590 0.003690 0.023414 0.035324 -0.007451 29O 2px -0.015078 -0.012054 0.000600 0.007131 -0.001329 0.045844 29O 2py -0.079851 0.030158 -0.000565 -0.025434 0.006989 0.041415 29O 3pz -0.052258 -0.073625 -0.011062 0.217100 0.187411 -0.071518 29O 3px 0.244329 -0.011273 -0.007217 0.130080 -0.003678 0.045954 29O 3py 0.109002 0.019263 0.001429 0.026579 -0.051642 -0.053630 29O 1dz2 0.000178 -0.001273 -0.000448 0.003316 0.002808 -0.000112 29O 1dxz -0.000441 0.001167 0.000524 -0.002071 -0.002936 0.000265 29O 1dyz 0.000630 -0.001337 -0.000618 0.005058 0.003299 -0.000931 29O 1dx2y2 -0.000088 0.001262 0.000122 -0.001350 -0.001007 -0.000152 29O 1dxy -0.001306 -0.000239 -0.000367 0.001634 0.001670 0.000188 29O 2dz2 -0.001291 -0.001807 0.002283 -0.011010 0.006527 -0.002162 29O 2dxz -0.004063 0.003770 -0.002940 0.008182 -0.006577 -0.003214 29O 2dyz 0.001573 -0.000018 0.002271 -0.015356 -0.004556 -0.000597 29O 2dx2y2 -0.007041 0.006223 -0.001033 -0.002286 -0.001457 -0.010435 29O 2dxy 0.000594 -0.003672 0.001595 -0.000805 -0.005703 0.017768 29O 1f0 0.000993 -0.000081 -0.000027 0.001169 -0.000117 0.000318 29O 1f+1 -0.000511 0.000133 -0.000181 0.000411 -0.000045 -0.000080 29O 1f-1 0.000927 0.000077 -0.000243 0.001964 -0.000627 0.001118 29O 1f+2 -0.000162 -0.000366 0.000212 -0.000610 0.000625 0.000042 29O 1f-2 0.000959 -0.000170 0.000421 -0.001267 -0.000757 0.001415 29O 1f+3 -0.000310 0.000069 -0.000174 0.000359 0.000119 -0.000941 29O 1f-3 -0.000245 0.000094 -0.000184 0.000691 0.000257 -0.000146 30O 1s 0.001471 -0.006448 0.004543 0.006808 -0.009581 -0.004790 30O 2s 0.004348 -0.016852 0.011241 0.017113 -0.025396 -0.012104 30O 3s -0.017337 0.044917 -0.019761 -0.032386 0.070718 0.026290 30O 4s 0.081926 -0.045483 -0.017883 -0.011777 -0.115228 -0.021992 30O 5s -0.834400 0.426324 -0.405094 -1.016176 1.474699 0.336289 30O 1pz -0.008158 -0.005813 0.055858 0.044797 -0.039290 0.030814 30O 1px 0.009613 0.000985 0.000504 0.027965 -0.014977 0.004765 30O 1py 0.011612 -0.012031 0.014663 -0.041781 0.011776 -0.034562 30O 2pz 0.010290 -0.012925 0.073481 0.050670 -0.053804 0.001021 30O 2px -0.009247 0.008311 -0.000492 -0.013491 0.015519 -0.000156 30O 2py -0.004776 -0.009134 -0.000702 -0.043005 0.022155 -0.002216 30O 3pz 0.157260 0.049730 0.072361 0.333923 -0.210148 0.229202 30O 3px -0.255028 -0.036681 -0.166791 -0.129460 0.229391 0.181642 30O 3py -0.160547 -0.073127 0.024847 -0.402921 0.204667 -0.358321 30O 1dz2 -0.000727 0.000522 -0.001527 -0.000108 0.001234 0.001224 30O 1dxz -0.000336 0.000181 -0.000204 -0.001020 0.002117 0.000069 30O 1dyz -0.000366 0.000206 0.000027 -0.001217 0.000550 0.001846 30O 1dx2y2 0.001630 0.000871 0.000393 -0.000349 0.000040 -0.001559 30O 1dxy 0.001212 -0.000412 0.000689 0.001987 -0.001540 -0.001299 30O 2dz2 0.003830 0.001624 -0.002496 0.002322 -0.003317 0.001563 30O 2dxz 0.014772 -0.001891 0.000451 0.017512 -0.013002 0.002770 30O 2dyz 0.010353 0.003554 0.009149 0.010346 -0.007940 -0.000251 30O 2dx2y2 -0.007793 -0.002655 -0.004943 -0.012261 0.001631 -0.010453 30O 2dxy -0.011970 -0.004391 -0.004742 -0.022774 0.011295 -0.005619 30O 1f0 -0.000852 -0.000079 0.000274 -0.000709 0.000339 -0.000518 30O 1f+1 -0.000565 0.000373 -0.000255 -0.000312 0.000320 0.000399 30O 1f-1 -0.000093 -0.000114 -0.001073 -0.000373 -0.000393 -0.000314 30O 1f+2 0.000803 -0.000423 0.000148 0.000466 -0.000740 -0.001001 30O 1f-2 0.001192 0.000289 0.000608 0.001357 -0.001043 -0.000377 30O 1f+3 -0.000141 -0.000056 -0.000014 0.000031 0.000375 0.000911 30O 1f-3 0.001111 -0.000303 0.000487 0.000728 -0.001325 -0.000526 31O 1s -0.000611 -0.006402 0.004654 -0.006838 0.009627 0.004877 31O 2s -0.002132 -0.016794 0.011546 -0.017212 0.025518 0.012297 31O 3s 0.011987 0.045532 -0.020749 0.032936 -0.071065 -0.026337 31O 4s -0.078114 -0.053451 -0.015308 0.009937 0.115316 0.019116 31O 5s 0.766293 0.493739 -0.435719 1.021986 -1.472521 -0.311103 31O 1pz -0.009945 0.003923 -0.057052 0.044210 -0.039216 0.030714 31O 1px 0.009868 0.000183 -0.000812 0.028620 -0.014716 0.005913 31O 1py 0.010519 0.014085 -0.014353 -0.041824 0.011777 -0.034975 31O 2pz 0.006970 0.012925 -0.074984 0.050194 -0.053526 0.001312 31O 2px -0.007704 -0.008728 0.000977 -0.013240 0.015733 0.000134 31O 2py -0.004593 0.009414 0.000736 -0.042892 0.021905 -0.002627 31O 3pz 0.157982 -0.037605 -0.080863 0.331412 -0.208311 0.233628 31O 3px -0.247357 0.012733 0.171823 -0.124136 0.225709 0.179910 31O 3py -0.166001 0.059961 -0.015297 -0.402537 0.203314 -0.369148 31O 1dz2 0.000617 0.000603 -0.001541 0.000074 -0.001224 -0.001245 31O 1dxz 0.000287 0.000187 -0.000229 0.001002 -0.002107 -0.000083 31O 1dyz 0.000321 0.000239 0.000028 0.001224 -0.000540 -0.001835 31O 1dx2y2 -0.001680 0.000688 0.000399 0.000381 -0.000076 0.001562 31O 1dxy -0.001129 -0.000527 0.000736 -0.001990 0.001537 0.001282 31O 2dz2 -0.003894 0.001191 -0.002390 -0.002313 0.003312 -0.001628 31O 2dxz -0.014156 -0.003270 0.000950 -0.017598 0.012882 -0.003263 31O 2dyz -0.010270 0.002648 0.009490 -0.010249 0.007827 0.000126 31O 2dx2y2 0.007894 -0.001814 -0.005099 0.012272 -0.001575 0.010556 31O 2dxy 0.012050 -0.003260 -0.005157 0.022760 -0.011119 0.006230 31O 1f0 -0.000843 -0.000007 -0.000249 -0.000708 0.000339 -0.000533 31O 1f+1 -0.000523 -0.000417 0.000263 -0.000321 0.000309 0.000385 31O 1f-1 -0.000086 0.000117 0.001077 -0.000356 -0.000403 -0.000309 31O 1f+2 0.000747 0.000510 -0.000153 0.000478 -0.000734 -0.000977 31O 1f-2 0.001179 -0.000187 -0.000640 0.001345 -0.001026 -0.000361 31O 1f+3 -0.000134 0.000045 0.000017 0.000036 0.000375 0.000908 31O 1f-3 0.001055 0.000419 -0.000513 0.000736 -0.001321 -0.000511 32O 1s -0.008502 0.001868 -0.000216 0.000939 0.002356 0.001178 32O 2s -0.020284 0.004888 -0.000470 0.002378 0.005430 0.003355 32O 3s 0.025418 -0.012876 0.000010 -0.006362 -0.003200 -0.014463 32O 4s 0.078445 0.002051 0.006742 -0.014839 -0.037461 0.025392 32O 5s 0.213280 -0.083827 -0.014115 0.073903 -0.028789 -0.071587 32O 1pz -0.001600 0.005712 -0.011002 -0.010981 0.022665 -0.005093 32O 1px 0.026214 0.011974 -0.003921 0.005430 -0.015812 0.043944 32O 1py -0.063252 -0.032085 0.002229 -0.021046 0.009758 0.018587 32O 2pz 0.012742 0.003171 -0.003943 0.023544 0.035059 -0.008955 32O 2px -0.015042 0.010663 -0.000919 0.008171 -0.000883 0.045091 32O 2py -0.075650 -0.038037 0.001590 -0.023420 0.009508 0.040850 32O 3pz -0.056491 0.066880 0.011858 0.218843 0.186360 -0.081090 32O 3px 0.243487 0.035950 0.001383 0.126626 -0.004068 0.045131 32O 3py 0.108408 -0.007467 -0.001869 0.032183 -0.051111 -0.055025 32O 1dz2 -0.000080 -0.001193 -0.000437 -0.003147 -0.002599 0.000277 32O 1dxz 0.000378 0.001226 0.000523 0.002151 0.003014 -0.000443 32O 1dyz -0.000591 -0.001366 -0.000612 -0.005159 -0.003316 0.001179 32O 1dx2y2 -0.000030 0.001290 0.000149 0.001499 0.001071 0.000065 32O 1dxy 0.001259 -0.000051 -0.000342 -0.001533 -0.001612 -0.000105 32O 2dz2 0.001793 -0.001631 0.001990 0.010307 -0.006640 0.002145 32O 2dxz 0.003397 0.004360 -0.002985 -0.008447 0.006454 0.003563 32O 2dyz -0.000947 -0.000182 0.002302 0.015998 0.004339 0.000320 32O 2dx2y2 0.006390 0.007112 -0.001295 0.001833 0.001397 0.010759 32O 2dxy 0.000174 -0.003473 0.001504 0.000191 0.005765 -0.017530 32O 1f0 0.000917 0.000154 0.000010 0.001099 -0.000122 0.000213 32O 1f+1 -0.000518 -0.000189 0.000186 0.000409 0.000012 -0.000139 32O 1f-1 0.000995 0.000021 0.000210 0.002040 -0.000635 0.001093 32O 1f+2 -0.000255 0.000354 -0.000207 -0.000661 0.000680 -0.000008 32O 1f-2 0.000857 0.000271 -0.000428 -0.001266 -0.000750 0.001459 32O 1f+3 -0.000256 -0.000094 0.000167 0.000310 0.000081 -0.000905 32O 1f-3 -0.000205 -0.000136 0.000191 0.000711 0.000238 -0.000185 33O 1s -0.005695 0.007883 -0.003147 0.002892 0.000345 -0.011969 33O 2s -0.015048 0.018640 -0.007547 0.008405 0.000715 -0.030808 33O 3s 0.039216 -0.019797 0.009762 -0.032503 0.000271 0.072911 33O 4s -0.045207 -0.115957 0.029116 0.114969 0.011601 -0.058429 33O 5s 1.257394 -0.285994 0.179204 -0.975227 -0.057053 1.471591 33O 1pz 0.058048 -0.063467 -0.020650 -0.011934 0.066350 0.008690 33O 1px 0.006991 0.045544 -0.025887 -0.027093 0.003451 -0.030525 33O 1py 0.044851 -0.029041 0.044963 -0.021775 0.045257 0.015383 33O 2pz 0.058670 -0.067975 -0.005811 -0.030585 0.039771 0.031317 33O 2px -0.040374 0.045683 -0.029817 -0.002452 0.003948 -0.059942 33O 2py 0.025841 -0.018614 0.061697 -0.034520 0.028456 0.009342 33O 3pz 0.542418 -0.227015 -0.092523 -0.130508 0.227687 0.256799 33O 3px -0.202105 0.329917 -0.154767 0.175283 0.114954 -0.377629 33O 3py 0.278620 -0.078363 -0.058862 0.019248 0.178157 0.056708 33O 1dz2 -0.000039 -0.000359 -0.000534 -0.000244 -0.000622 -0.001044 33O 1dxz 0.000280 -0.000617 0.000361 -0.003504 -0.000755 0.001723 33O 1dyz 0.000481 -0.000567 0.000299 -0.000246 0.000313 -0.000374 33O 1dx2y2 0.000900 0.002149 -0.000996 0.001656 0.000607 -0.002366 33O 1dxy 0.000918 0.000704 -0.001244 0.000163 0.001202 0.000867 33O 2dz2 -0.000228 -0.001272 -0.003911 -0.005304 -0.001034 0.000191 33O 2dxz -0.034920 0.010637 -0.003720 0.007759 0.003250 -0.020618 33O 2dyz 0.005070 -0.006839 0.005856 -0.004609 -0.003688 0.000657 33O 2dx2y2 0.019230 -0.008481 -0.003569 -0.003438 -0.001384 0.010264 33O 2dxy -0.002444 -0.000447 0.001447 0.003776 0.000138 -0.003885 33O 1f0 -0.000684 -0.000207 -0.001027 0.000500 0.000684 -0.000742 33O 1f+1 -0.000655 0.000683 0.000046 0.000725 0.000090 -0.000705 33O 1f-1 0.000597 -0.000779 -0.000051 0.000449 0.000620 -0.000276 33O 1f+2 0.001230 -0.000271 0.000006 -0.001078 -0.000777 0.001604 33O 1f-2 -0.000563 0.000920 -0.000768 0.000232 0.000152 -0.000248 33O 1f+3 0.000680 -0.000284 -0.000229 -0.000369 -0.000307 0.000304 33O 1f-3 -0.000284 -0.000367 -0.000085 0.000662 0.000508 -0.000581 34O 1s 0.000977 0.003260 0.003512 0.011795 -0.004582 0.006758 34O 2s 0.003104 0.008508 0.008389 0.029790 -0.012718 0.016945 34O 3s -0.016658 -0.022003 -0.010716 -0.060961 0.043342 -0.033947 34O 4s 0.065466 0.029891 -0.035582 0.010615 -0.091086 -0.006600 34O 5s -0.654112 -0.614290 -0.166980 -1.367246 1.139978 -0.469124 34O 1pz -0.005646 -0.026276 -0.030561 -0.018628 0.024657 0.033183 34O 1px -0.028414 -0.007161 -0.020790 -0.003172 0.009253 0.000011 34O 1py 0.001841 -0.006121 -0.017856 0.032665 -0.065934 -0.024806 34O 2pz 0.001559 -0.031888 -0.026541 -0.015407 0.016619 0.037328 34O 2px -0.030772 -0.019029 -0.027810 -0.050385 0.029315 -0.017921 34O 2py -0.021760 0.006443 0.011854 0.023051 -0.055529 -0.008993 34O 3pz -0.094483 -0.016453 0.027571 0.044061 0.099505 0.111713 34O 3px -0.264829 -0.142734 -0.074534 -0.500825 0.216771 -0.164745 34O 3py 0.239722 -0.021829 -0.215121 0.200504 -0.282173 -0.128477 34O 1dz2 0.000472 -0.000691 -0.000831 -0.002238 -0.002111 0.000108 34O 1dxz 0.001308 0.000270 -0.001895 -0.000543 -0.000690 -0.001745 34O 1dyz 0.000785 0.000744 -0.000044 -0.000651 -0.000205 -0.001153 34O 1dx2y2 -0.001518 -0.000232 -0.000265 0.003394 0.000479 0.000656 34O 1dxy 0.000346 -0.000716 -0.000169 -0.001532 0.000357 -0.000729 34O 2dz2 0.012996 0.006349 -0.006720 0.018098 -0.010639 0.008075 34O 2dxz 0.001411 -0.001021 0.000223 0.005262 -0.003797 0.005296 34O 2dyz 0.003475 0.005139 0.007143 -0.007797 -0.000106 -0.004453 34O 2dx2y2 -0.012658 -0.005098 -0.002624 -0.026122 0.016961 -0.012314 34O 2dxy 0.008427 0.002072 0.003152 0.007048 -0.008946 0.001545 34O 1f0 0.000128 -0.000101 0.000054 -0.000720 0.000142 -0.000384 34O 1f+1 0.000494 0.000131 -0.000318 0.001363 -0.000499 0.000744 34O 1f-1 -0.000406 -0.000157 0.000402 -0.000266 0.000003 0.000297 34O 1f+2 0.000175 -0.000545 -0.000485 0.000384 0.000019 0.000250 34O 1f-2 0.000464 0.000311 0.000397 -0.000760 -0.000118 -0.000690 34O 1f+3 0.000079 0.000236 0.000676 0.001577 -0.000259 0.000916 34O 1f-3 -0.001058 -0.000675 -0.000371 -0.001070 0.000474 -0.000127 35O 1s 0.009865 0.011918 -0.004437 -0.004671 0.008512 0.000592 35O 2s 0.025688 0.030033 -0.010995 -0.012363 0.021332 0.002281 35O 3s -0.063183 -0.062898 0.019443 0.034201 -0.042567 -0.015640 35O 4s 0.080799 0.003340 0.015021 -0.049131 -0.012032 0.068230 35O 5s -1.597362 -1.067959 0.434752 0.876937 -0.447466 -0.783842 35O 1pz -0.038441 -0.009587 -0.011176 0.024063 0.000529 -0.063740 35O 1px 0.014991 -0.063664 0.002817 -0.006834 0.018108 0.004432 35O 1py -0.021421 -0.007395 0.041066 0.034567 0.009510 -0.011982 35O 2pz -0.028028 -0.042248 0.010279 0.029637 -0.018739 -0.040858 35O 2px -0.035776 -0.069017 0.022234 0.015555 -0.006126 -0.010724 35O 2py -0.046764 -0.035103 0.035976 0.062428 -0.005505 0.003041 35O 3pz -0.121759 0.160289 -0.109146 0.018026 0.242934 -0.378403 35O 3px -0.554871 -0.366129 0.135220 0.027776 0.001601 -0.185350 35O 3py -0.243687 -0.010679 0.120598 -0.018478 0.148564 -0.286987 35O 1dz2 -0.001255 -0.002258 -0.000288 -0.000122 -0.000808 -0.000927 35O 1dxz -0.000768 -0.000601 -0.000474 -0.000755 -0.000306 0.000808 35O 1dyz -0.000145 -0.000487 0.000021 0.000486 0.001856 0.000405 35O 1dx2y2 0.002892 0.000836 -0.001984 0.000777 0.001979 -0.001070 35O 1dxy 0.001601 0.001666 0.000321 -0.000340 0.000802 -0.001156 35O 2dz2 0.019152 -0.005094 -0.009931 -0.002943 0.003191 0.012805 35O 2dxz -0.003968 -0.002621 0.000521 0.008145 -0.001087 -0.000901 35O 2dyz 0.004292 -0.013205 0.007849 0.006322 0.003686 0.001874 35O 2dx2y2 -0.029653 -0.003397 0.003303 0.002707 0.000592 -0.019067 35O 2dxy -0.027997 -0.004816 0.002477 0.011401 0.002398 -0.013208 35O 1f0 0.000245 0.000871 -0.000556 -0.000410 -0.000313 0.000158 35O 1f+1 0.001923 -0.000214 -0.000758 -0.000213 0.000811 0.000163 35O 1f-1 0.000490 0.000725 -0.000625 -0.000827 0.000876 -0.000132 35O 1f+2 -0.000539 -0.000641 -0.000362 0.000675 -0.000532 0.000358 35O 1f-2 0.000208 -0.001502 0.000215 0.000364 0.001362 -0.000201 35O 1f+3 0.001222 -0.000022 0.000317 0.000020 0.000335 0.000568 35O 1f-3 0.001998 0.000893 -0.000298 -0.000413 0.000115 0.000821 168 169 170 171 172 173 0.31548 0.31918 0.32180 0.32232 0.35208 0.36490 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s -0.000849 0.000429 0.000293 -0.000187 0.000001 0.000978 0Rh 2s 0.003251 -0.001583 -0.001088 0.000890 -0.000098 -0.002662 0Rh 3s -0.002925 0.001518 0.001033 -0.000540 -0.000056 0.004049 0Rh 4s -0.014405 0.006977 0.004800 -0.004037 0.000480 0.011297 0Rh 5s 0.012314 -0.005283 -0.003752 0.005044 -0.001227 -0.000056 0Rh 6s 0.023036 -0.014253 -0.009248 -0.000209 0.002203 -0.056786 0Rh 7s 0.117828 0.052374 0.005073 0.327983 -0.014630 0.297594 0Rh 8s -0.496548 0.079402 0.186867 -0.663119 0.129691 -1.098348 0Rh 1pz -0.009174 0.007082 0.004867 -0.000458 0.015398 0.001845 0Rh 1px -0.004296 0.002576 -0.001046 0.000292 0.005145 -0.000989 0Rh 1py 0.000064 -0.004611 0.010971 -0.011898 -0.002853 0.011714 0Rh 2pz 0.031911 -0.024605 -0.016849 0.001604 -0.052805 -0.006229 0Rh 2px 0.014933 -0.009003 0.003604 -0.000946 -0.017614 0.003349 0Rh 2py -0.000276 0.015965 -0.038052 0.041479 0.009768 -0.039677 0Rh 3pz -0.035510 0.026853 0.017206 -0.001925 0.043913 0.003293 0Rh 3px -0.016422 0.010852 -0.003343 -0.000365 0.014083 -0.002035 0Rh 3py 0.001314 -0.016416 0.040237 -0.047866 -0.007820 0.023344 0Rh 4pz -0.013944 0.012909 0.013395 -0.000595 0.081441 0.016579 0Rh 4px -0.007508 0.000520 -0.004235 0.006587 0.029426 -0.007231 0Rh 4py -0.003694 -0.012197 0.024896 -0.011567 -0.016201 0.098927 0Rh 5pz -0.075537 0.048432 0.023657 -0.001418 -0.002125 -0.013071 0Rh 5px -0.030713 0.028617 -0.002020 -0.014523 -0.006358 -0.003032 0Rh 5py 0.008822 -0.023862 0.066657 -0.115129 0.003492 -0.084265 0Rh 6pz 1.855822 -0.972996 -0.591794 0.180015 -0.364592 0.076178 0Rh 6px 0.718287 -0.542353 0.017465 -0.119922 -0.073134 0.371229 0Rh 6py -0.220809 0.615843 -1.299487 2.482716 0.009982 0.577764 0Rh 1dz2 -0.014930 -0.005203 -0.007750 -0.001068 -0.024039 -0.004497 0Rh 1dxz 0.030568 0.007098 0.010806 0.006710 0.038065 0.015544 0Rh 1dyz 0.006211 0.005521 -0.003769 -0.009389 0.008635 -0.013660 0Rh 1dx2y2 0.010232 0.007104 -0.000325 -0.011112 0.017376 -0.016227 0Rh 1dxy -0.003059 -0.010348 0.011373 0.033550 -0.006439 0.046601 0Rh 2dz2 -0.000021 0.000521 0.000774 -0.000049 0.001215 0.000658 0Rh 2dxz -0.000877 -0.001124 -0.001035 0.000145 -0.001194 0.000030 0Rh 2dyz -0.000253 -0.000520 0.000704 -0.000059 -0.000415 0.000578 0Rh 2dx2y2 -0.000139 -0.000968 0.000282 -0.000143 -0.000319 -0.000424 0Rh 2dxy -0.000024 0.000856 -0.001406 -0.000627 0.000396 -0.001960 0Rh 3dz2 0.027053 0.007268 0.010852 0.002158 0.038857 0.005502 0Rh 3dxz -0.051695 -0.008295 -0.015385 -0.012767 -0.064665 -0.028675 0Rh 3dyz -0.010161 -0.007873 0.003913 0.017335 -0.014145 0.022665 0Rh 3dx2y2 -0.017947 -0.008884 -0.000556 0.020709 -0.030376 0.031511 0Rh 3dxy 0.005621 0.015282 -0.014936 -0.058220 0.010114 -0.077413 0Rh 4dz2 0.019489 0.013761 0.020134 0.000602 0.046060 0.014792 0Rh 4dxz -0.051707 -0.023505 -0.027222 -0.006624 -0.063318 -0.018076 0Rh 4dyz -0.012239 -0.013965 0.014322 0.010201 -0.015434 0.024510 0Rh 4dx2y2 -0.015345 -0.021864 0.004088 0.012108 -0.026135 0.013422 0Rh 4dxy 0.003544 0.024211 -0.032375 -0.052747 0.013476 -0.082907 0Rh 5dz2 0.065261 -0.017424 -0.017157 0.010748 0.039697 -0.020147 0Rh 5dxz -0.071857 0.039840 0.019378 -0.042644 -0.105241 -0.079794 0Rh 5dyz -0.001021 0.013634 -0.031200 0.067506 -0.032732 0.031703 0Rh 5dx2y2 -0.036217 0.035702 -0.015569 0.069116 -0.063253 0.109422 0Rh 5dxy 0.016125 -0.008642 0.037357 -0.092956 -0.000219 -0.115854 0Rh 1f0 0.000758 -0.003411 0.003781 -0.003572 -0.004091 0.005035 0Rh 1f+1 -0.004971 0.001699 0.001365 -0.002153 0.003296 0.000575 0Rh 1f-1 -0.005089 0.002165 0.010084 -0.005601 0.005494 0.006588 0Rh 1f+2 0.006757 -0.007730 -0.001465 -0.000912 -0.010176 -0.000979 0Rh 1f-2 0.002555 -0.003658 0.006939 -0.006478 -0.001021 0.004335 0Rh 1f+3 -0.004451 0.004829 -0.002452 0.002772 0.005865 -0.003663 0Rh 1f-3 0.000425 -0.000882 0.004489 -0.004104 -0.002119 0.000580 1Rh 1s -0.000905 -0.000442 -0.000287 -0.000191 0.000000 -0.000648 1Rh 2s 0.003430 0.001627 0.001062 0.000899 0.000105 0.001406 1Rh 3s -0.003144 -0.001567 -0.001011 -0.000553 0.000066 -0.002901 1Rh 4s -0.015184 -0.007168 -0.004687 -0.004078 -0.000518 -0.005736 1Rh 5s 0.012645 0.005393 0.003644 0.005055 0.001355 -0.004411 1Rh 6s 0.025591 0.014788 0.009133 -0.000043 -0.002536 0.046121 1Rh 7s 0.099472 -0.054238 -0.016572 0.327135 0.022714 -0.238566 1Rh 8s -0.417047 -0.079008 -0.162820 -0.667219 -0.142144 1.087851 1Rh 1pz 0.009232 0.007113 0.004803 0.000406 0.015252 0.002456 1Rh 1px 0.004441 0.002471 -0.001018 -0.000418 0.005111 0.000603 1Rh 1py -0.000568 -0.004364 0.010451 0.012447 -0.002675 0.011811 1Rh 2pz -0.032112 -0.024711 -0.016623 -0.001421 -0.052297 -0.008354 1Rh 2px -0.015439 -0.008644 0.003509 0.001381 -0.017498 -0.002166 1Rh 2py 0.002017 0.015107 -0.036240 -0.043387 0.009145 -0.040008 1Rh 3pz 0.035734 0.026948 0.016939 0.001708 0.043312 0.005603 1Rh 3px 0.016995 0.010578 -0.003277 -0.000091 0.013991 0.003572 1Rh 3py -0.002977 -0.015416 0.038163 0.049897 -0.007051 0.023576 1Rh 4pz 0.014033 0.013051 0.013336 0.000556 0.081368 0.017837 1Rh 4px 0.007678 -0.000134 -0.004008 -0.006888 0.029218 -0.002658 1Rh 4py 0.001857 -0.011992 0.024331 0.012764 -0.016210 0.099612 1Rh 5pz 0.075985 0.048448 0.023188 0.000876 -0.003737 -0.008831 1Rh 5px 0.032131 0.028879 -0.002385 0.013765 -0.006209 0.005068 1Rh 5py -0.010508 -0.021471 0.061765 0.118543 0.005655 -0.084624 1Rh 6pz -1.868999 -0.975436 -0.574958 -0.174625 -0.341608 -0.055286 1Rh 6px -0.731684 -0.534486 0.012805 0.133822 -0.067314 0.270708 1Rh 6py 0.252247 0.561573 -1.193764 -2.550594 -0.026911 0.581102 1Rh 1dz2 -0.015204 0.005175 0.008071 -0.001019 0.024301 0.003836 1Rh 1dxz 0.030447 -0.007000 -0.011132 0.006614 -0.038175 -0.013845 1Rh 1dyz 0.006072 -0.005800 0.004044 -0.009152 -0.008788 0.014231 1Rh 1dx2y2 0.010171 -0.007386 0.000836 -0.010909 -0.017431 0.016516 1Rh 1dxy -0.002723 0.011164 -0.012801 0.032842 0.006628 -0.046686 1Rh 2dz2 -0.000020 -0.000518 -0.000790 -0.000046 -0.001248 -0.000559 1Rh 2dxz -0.000881 0.001128 0.001020 0.000155 0.001207 -0.000148 1Rh 2dyz -0.000245 0.000531 -0.000690 -0.000104 0.000403 -0.000552 1Rh 2dx2y2 -0.000095 0.000965 -0.000287 -0.000171 0.000302 0.000380 1Rh 2dxy -0.000012 -0.000866 0.001436 -0.000539 -0.000413 0.001985 1Rh 3dz2 0.027545 -0.007230 -0.011371 0.002059 -0.039200 -0.004705 1Rh 3dxz -0.051455 0.008098 0.016034 -0.012635 0.064811 0.026042 1Rh 3dyz -0.009943 0.008336 -0.004473 0.017092 0.014478 -0.023821 1Rh 3dx2y2 -0.018022 0.009405 -0.000351 0.020457 0.030546 -0.031851 1Rh 3dxy 0.004957 -0.016718 0.017398 -0.057291 -0.010387 0.077467 1Rh 4dz2 0.019821 -0.013691 -0.020744 0.000569 -0.046813 -0.012535 1Rh 4dxz -0.051655 0.023438 0.027464 -0.006374 0.063644 0.014571 1Rh 4dyz -0.011940 0.014458 -0.014447 0.009315 0.015396 -0.024776 1Rh 4dx2y2 -0.014637 0.022194 -0.004783 0.011476 0.025978 -0.014535 1Rh 4dxy 0.003322 -0.025431 0.034666 -0.050729 -0.013962 0.083311 1Rh 5dz2 0.067095 0.017410 0.016561 0.010453 -0.039121 0.015354 1Rh 5dxz -0.070575 -0.040525 -0.017010 -0.042874 0.104876 0.074877 1Rh 5dyz -0.000801 -0.012969 0.028135 0.069168 0.035314 -0.037119 1Rh 5dx2y2 -0.039230 -0.034327 0.012961 0.070096 0.064822 -0.104066 1Rh 5dxy 0.013062 0.006014 -0.033625 -0.095329 0.000609 0.116157 1Rh 1f0 -0.000861 -0.003322 0.003592 0.003833 -0.003982 0.004590 1Rh 1f+1 0.004977 0.001737 0.001263 0.002133 0.003332 0.000635 1Rh 1f-1 0.004946 0.002310 0.009828 0.005950 0.005494 0.006578 1Rh 1f+2 -0.006913 -0.007724 -0.001473 0.001072 -0.010059 -0.001143 1Rh 1f-2 -0.002813 -0.003501 0.006656 0.006839 -0.001011 0.004555 1Rh 1f+3 0.004569 0.004727 -0.002388 -0.003026 0.005860 -0.003416 1Rh 1f-3 -0.000698 -0.000752 0.004309 0.004333 -0.002136 0.000536 2C 1s -0.001910 -0.009189 -0.017721 0.000452 0.004195 0.010056 2C 2s -0.004816 -0.019925 -0.038642 0.000510 0.008453 0.019222 2C 3s 0.028237 0.019808 0.034401 0.016539 -0.000780 0.044778 2C 4s -0.084167 0.260988 0.514785 -0.116650 -0.155782 -0.684902 2C 5s 0.977473 -2.414099 -4.010088 1.161752 3.567232 5.461331 2C 1pz 0.026405 0.035092 0.098079 0.006063 0.030088 0.012661 2C 1px 0.017976 -0.001370 0.005755 0.009931 -0.000047 -0.006150 2C 1py 0.018005 0.052286 0.060504 0.015087 -0.007742 0.026522 2C 2pz 0.021306 -0.019680 0.042016 -0.003997 0.180280 0.127456 2C 2px 0.006974 -0.004592 -0.043984 -0.008237 -0.015227 0.027249 2C 2py 0.000940 0.015217 0.014179 0.024970 0.062991 0.119798 2C 3pz 0.506895 -0.250336 -1.213535 0.424744 0.341964 0.973252 2C 3px -0.759573 0.317966 0.401747 -0.768965 0.488064 0.191340 2C 3py -0.159088 -0.967744 -0.545349 0.071966 0.851151 -0.076610 2C 1dz2 -0.003284 -0.001832 0.002495 -0.003681 0.004898 -0.002201 2C 1dxz 0.005826 0.001744 -0.000290 0.003827 -0.000708 0.003102 2C 1dyz 0.000079 0.000114 -0.000961 0.000171 0.000856 0.003320 2C 1dx2y2 0.002165 -0.002227 -0.001619 0.000967 0.000571 -0.002953 2C 1dxy 0.002571 -0.003131 -0.001301 0.005243 -0.000969 0.001554 2C 2dz2 -0.027796 -0.057456 -0.043630 -0.017441 0.034785 -0.021587 2C 2dxz 0.002201 -0.053806 -0.048468 0.014973 0.011432 -0.004179 2C 2dyz -0.035876 -0.021921 -0.072225 -0.021998 0.005065 0.025860 2C 2dx2y2 -0.004178 0.010544 0.058429 0.002131 0.004905 -0.015742 2C 2dxy 0.005364 0.013388 -0.011689 -0.001811 -0.002658 0.007665 2C 1f0 -0.001409 -0.002529 0.001434 -0.000051 -0.000811 -0.000758 2C 1f+1 -0.000823 0.000612 -0.002872 -0.001405 -0.000860 0.001866 2C 1f-1 -0.002440 -0.001460 -0.001972 -0.001457 -0.000283 -0.003344 2C 1f+2 0.001760 -0.001829 -0.000846 0.001861 0.000640 0.004153 2C 1f-2 -0.002076 -0.001097 0.002325 -0.001518 -0.000416 -0.004897 2C 1f+3 -0.001469 -0.004655 -0.004361 0.000103 0.001487 0.002997 2C 1f-3 -0.000554 0.001209 -0.002426 -0.000919 0.000082 0.001567 3C 1s 0.005615 -0.018327 0.008799 0.005771 0.004162 -0.009865 3C 2s 0.011556 -0.039816 0.019081 0.012976 0.007273 -0.020533 3C 3s 0.010281 0.032399 -0.022447 -0.019138 0.031796 0.013548 3C 4s -0.289149 0.546763 -0.230962 -0.093457 -0.356272 0.333445 3C 5s 0.920924 -4.464661 2.117650 -0.474254 3.844051 -4.986655 3C 1pz -0.011300 0.057773 -0.051183 -0.001994 0.035589 0.020964 3C 1px 0.006951 0.024139 -0.019996 -0.017237 0.022722 0.009933 3C 1py 0.022280 -0.092915 0.045106 0.014095 -0.022768 -0.000966 3C 2pz -0.002011 0.037663 -0.018466 0.005464 0.099951 -0.100883 3C 2px 0.026701 -0.027480 0.008461 0.001668 0.090636 -0.006424 3C 2py 0.033878 -0.014274 0.003371 -0.002134 -0.101241 0.178822 3C 3pz 0.507341 -0.710797 1.032362 -0.136534 -0.241416 -0.845554 3C 3px -0.819281 -0.109709 -0.010057 0.846110 0.070660 -0.677211 3C 3py -0.194691 1.191843 -0.138998 0.281936 -0.875322 0.615357 3C 1dz2 -0.002688 -0.000813 -0.004043 0.001544 0.001685 0.002689 3C 1dxz 0.002404 0.000110 -0.000689 -0.002109 0.003463 0.002749 3C 1dyz 0.001453 0.000305 -0.002011 -0.002343 -0.000300 0.003737 3C 1dx2y2 0.005572 -0.001759 0.002012 -0.001428 0.000121 0.004476 3C 1dxy -0.004709 0.000557 0.000250 0.007260 -0.003375 -0.000606 3C 2dz2 -0.003177 -0.009103 -0.017819 -0.000795 0.017254 0.028658 3C 2dxz 0.010739 -0.051974 0.020204 -0.004520 0.004071 -0.016187 3C 2dyz 0.005556 0.063008 -0.002488 -0.021303 -0.007490 0.024876 3C 2dx2y2 -0.010547 0.060394 -0.069847 -0.017590 0.030666 0.060715 3C 2dxy -0.023670 0.047082 -0.049457 -0.009575 0.001388 0.026142 3C 1f0 -0.002528 0.001776 -0.005349 -0.002301 0.001930 0.003249 3C 1f+1 -0.001388 -0.000768 -0.001930 0.000052 0.000603 0.001228 3C 1f-1 -0.001059 0.003560 0.001820 -0.000061 -0.000257 0.002126 3C 1f+2 0.001955 -0.003409 0.000607 0.001762 0.004178 -0.000686 3C 1f-2 0.002346 -0.000422 0.000061 -0.000605 0.002008 -0.000674 3C 1f+3 -0.000779 -0.003500 0.000515 0.001345 -0.000234 -0.001133 3C 1f-3 -0.000658 0.002966 -0.000559 0.000125 -0.001109 -0.000791 4C 1s 0.002852 0.016426 0.038584 0.002379 0.006895 0.016613 4C 2s 0.007024 0.037139 0.086756 0.004940 0.015436 0.035557 4C 3s -0.073853 -0.066248 -0.125723 -0.012348 -0.004678 0.029382 4C 4s 0.386859 -0.232216 -0.778810 -0.030078 -0.231293 -0.844910 4C 5s -0.131787 0.766194 0.924639 -0.038814 -2.033219 -1.766215 4C 1pz 0.024439 0.023760 -0.038962 0.018254 -0.029171 -0.033627 4C 1px -0.018971 0.019693 -0.022051 -0.012302 -0.021140 0.006693 4C 1py 0.005051 -0.059685 -0.015796 -0.005420 0.009098 -0.045239 4C 2pz 0.046137 0.061730 -0.191150 0.009660 -0.231752 -0.141390 4C 2px -0.008016 0.050806 -0.067558 -0.072547 0.117288 -0.086520 4C 2py 0.020267 -0.233859 -0.056734 -0.049067 0.101305 -0.323652 4C 3pz 0.019341 -1.568469 -1.710290 0.162695 2.184954 1.660572 4C 3px 2.029668 -0.611055 -0.804169 2.012739 0.101122 0.564881 4C 3py 0.873883 0.025642 -1.606505 0.848464 0.711383 2.003415 4C 1dz2 0.003083 0.000007 -0.003697 0.002966 0.000723 0.006501 4C 1dxz -0.005007 -0.006011 -0.008561 -0.001987 0.009505 -0.000023 4C 1dyz 0.003080 0.004890 0.011731 0.001004 0.003869 0.002285 4C 1dx2y2 0.000151 0.009460 0.016379 0.000391 -0.004369 -0.008284 4C 1dxy 0.000441 0.005317 0.012246 -0.006480 0.004235 -0.006306 4C 2dz2 0.011715 0.052841 0.051264 0.033696 -0.135048 0.041072 4C 2dxz -0.042400 0.026415 0.031254 -0.046050 -0.009987 -0.015495 4C 2dyz 0.041484 0.045052 0.086167 0.021140 -0.020272 -0.094911 4C 2dx2y2 0.033477 -0.002436 -0.035940 0.010687 0.008091 0.077337 4C 2dxy 0.011824 0.004017 0.019705 -0.020323 0.031524 -0.030633 4C 1f0 -0.004059 0.000442 -0.000230 -0.001634 0.000531 0.005235 4C 1f+1 -0.004602 -0.002519 0.002398 -0.000095 0.003254 0.008315 4C 1f-1 -0.001979 -0.002497 -0.004839 0.000188 0.001843 0.004563 4C 1f+2 0.008387 0.003676 -0.000469 0.005321 -0.009791 -0.002994 4C 1f-2 -0.000693 0.002650 -0.002377 -0.001406 0.002237 0.001748 4C 1f+3 0.003799 -0.002026 -0.000321 0.004950 -0.004220 0.001115 4C 1f-3 -0.001577 0.002530 0.000367 0.004353 -0.002313 0.010242 5C 1s -0.005666 0.039323 -0.016554 -0.001987 0.013710 -0.007696 5C 2s -0.013121 0.088065 -0.037841 -0.005156 0.030440 -0.015679 5C 3s 0.058613 -0.118553 0.079556 0.056982 -0.023646 -0.076829 5C 4s -0.189745 -0.870750 0.147874 -0.365681 -0.377407 0.790599 5C 5s -0.174781 1.244817 -0.448083 0.477069 -1.710066 2.304340 5C 1pz 0.009818 -0.001261 0.041523 -0.019202 -0.039071 0.006234 5C 1px -0.007439 -0.010515 0.019903 0.023330 0.001003 0.027559 5C 1py -0.014407 0.051658 0.027890 0.003312 0.003947 -0.061435 5C 2pz -0.005631 -0.019852 0.188633 -0.065028 -0.179211 0.011263 5C 2px -0.029603 0.006190 0.065542 0.073280 -0.276851 -0.014074 5C 2py 0.006808 0.231088 0.051333 0.040019 0.019685 -0.295381 5C 3pz -0.609794 -1.555094 -0.200067 0.484553 1.500379 -1.010926 5C 3px 1.930835 -1.042829 0.448946 -2.191157 0.749921 -0.340795 5C 3py 0.208453 1.984840 -1.415022 -0.116160 -1.284096 2.713593 5C 1dz2 0.006588 -0.011989 0.008083 0.001921 0.002814 -0.002363 5C 1dxz -0.001232 -0.008464 0.004826 0.001558 -0.000299 -0.009418 5C 1dyz 0.003250 -0.014086 0.008016 0.007128 -0.007031 -0.004883 5C 1dx2y2 -0.008067 0.014206 -0.007549 0.000133 -0.008689 0.007164 5C 1dxy 0.003245 -0.000579 0.000686 -0.004445 0.002552 0.008201 5C 2dz2 0.038243 -0.007699 0.021826 0.006308 -0.048747 -0.078538 5C 2dxz 0.009930 0.047195 -0.008794 0.036305 -0.074051 -0.003868 5C 2dyz 0.017948 -0.074365 0.041524 0.063175 0.032966 -0.060477 5C 2dx2y2 -0.059430 -0.050540 0.043715 0.017147 -0.030668 -0.128624 5C 2dxy 0.019982 -0.067550 0.039564 -0.040636 0.074251 -0.037687 5C 1f0 -0.000738 0.005041 -0.002150 0.005898 -0.003906 -0.002118 5C 1f+1 0.007448 -0.000127 -0.001979 -0.001395 0.006533 -0.003159 5C 1f-1 -0.000680 -0.000990 -0.003111 0.000763 0.001643 0.003570 5C 1f+2 0.002774 0.004371 0.000692 -0.004235 -0.000085 0.004742 5C 1f-2 -0.001418 -0.000909 -0.002147 -0.007336 0.001885 0.011676 5C 1f+3 0.007707 -0.000961 0.002026 -0.000988 0.006795 -0.008066 5C 1f-3 -0.004892 -0.001977 -0.003589 -0.005170 -0.004209 0.010047 6C 1s -0.005510 -0.039373 0.016532 -0.000288 -0.013737 0.011021 6C 2s -0.012838 -0.088176 0.037820 -0.001310 -0.030542 0.022906 6C 3s 0.060354 0.119228 -0.081533 0.050140 0.026801 0.063882 6C 4s -0.208734 0.865921 -0.131622 -0.390514 0.355797 -0.841239 6C 5s -0.106977 -1.241702 0.422713 0.530750 1.706300 -1.992635 6C 1pz -0.007417 -0.000984 0.040314 0.021123 -0.038307 0.009081 6C 1px 0.007960 -0.011037 0.020869 -0.022496 0.000716 0.033549 6C 1py 0.014704 0.051471 0.027819 -0.003361 0.003312 -0.063575 6C 2pz 0.012758 -0.018964 0.185025 0.073332 -0.176328 0.017931 6C 2px 0.030955 0.005123 0.068214 -0.068681 -0.276982 -0.008980 6C 2py -0.004232 0.230184 0.053242 -0.042155 0.016413 -0.296469 6C 3pz 0.606877 -1.566495 -0.184452 -0.453451 1.498867 -0.958562 6C 3px -1.914774 -0.982431 0.365763 2.220224 0.773434 -0.384221 6C 3py -0.246616 1.984230 -1.408118 0.002045 -1.295662 2.620001 6C 1dz2 0.006586 0.011996 -0.008164 0.001294 -0.002689 0.001447 6C 1dxz -0.001109 0.008528 -0.004853 0.001061 0.000356 0.008494 6C 1dyz 0.003532 0.014233 -0.008234 0.006346 0.007215 0.004419 6C 1dx2y2 -0.008050 -0.014145 0.007507 0.000758 0.008616 -0.005966 6C 1dxy 0.003179 0.000464 -0.000527 -0.004379 -0.002501 -0.008397 6C 2dz2 0.037798 0.007983 -0.022206 0.004825 0.049892 0.066859 6C 2dxz 0.009065 -0.046352 0.007146 0.037363 0.075366 -0.003221 6C 2dyz 0.019232 0.075326 -0.043726 0.059171 -0.030338 0.051433 6C 2dx2y2 -0.059893 0.050228 -0.044050 0.013716 0.030075 0.139192 6C 2dxy 0.019517 0.066477 -0.037980 -0.043366 -0.074733 0.038726 6C 1f0 0.000609 0.004894 -0.001896 -0.006008 -0.004071 -0.001797 6C 1f+1 -0.007484 -0.000081 -0.002006 0.001279 0.006412 -0.002524 6C 1f-1 0.000613 -0.000991 -0.003072 -0.000880 0.001644 0.003362 6C 1f+2 -0.002664 0.004453 0.000505 0.004122 0.000017 0.004282 6C 1f-2 0.001440 -0.000773 -0.002412 0.007181 0.002141 0.010775 6C 1f+3 -0.007662 -0.000912 0.001991 0.001097 0.006629 -0.007104 6C 1f-3 0.005027 -0.001872 -0.003776 0.005029 -0.003918 0.008835 7C 1s 0.002403 -0.016371 -0.038636 0.001185 -0.006871 -0.013345 7C 2s 0.006046 -0.037011 -0.086860 0.002268 -0.015365 -0.028730 7C 3s -0.072784 0.065758 0.125961 -0.009321 0.002504 -0.020809 7C 4s 0.399321 0.234124 0.779962 0.000289 0.243921 0.644390 7C 5s -0.193661 -0.771189 -0.919424 -0.075750 2.032296 2.023696 7C 1pz -0.026147 0.023689 -0.038312 -0.020558 -0.029892 -0.025535 7C 1px 0.018778 0.019724 -0.022810 0.011220 -0.021242 0.016157 7C 1py -0.003855 -0.059510 -0.015806 0.005973 0.008589 -0.034670 7C 2pz -0.052423 0.062912 -0.190539 -0.018129 -0.234125 -0.119102 7C 2px 0.011928 0.052475 -0.070313 0.066332 0.115797 -0.076347 7C 2py -0.014489 -0.232704 -0.059282 0.051451 0.100319 -0.299282 7C 3pz -0.075494 -1.566317 -1.700709 -0.213557 2.159268 1.894212 7C 3px -1.976371 -0.652672 -0.705477 -2.022296 0.089092 0.472554 7C 3py -0.916181 0.004816 -1.578409 -0.923823 0.694758 2.096675 7C 1dz2 0.003064 0.000077 0.003548 0.003030 -0.000720 -0.007387 7C 1dxz -0.004755 0.005891 0.008646 -0.001606 -0.009421 0.000099 7C 1dyz 0.003074 -0.004813 -0.011759 0.000687 -0.003774 -0.003314 7C 1dx2y2 -0.000044 -0.009430 -0.016398 -0.000085 0.004470 0.008925 7C 1dxy 0.000435 -0.005453 -0.011930 -0.006733 -0.004245 0.006962 7C 2dz2 0.011898 -0.051631 -0.052182 0.032186 0.134773 -0.043076 7C 2dxz -0.043738 -0.027179 -0.029120 -0.046196 0.009270 0.017514 7C 2dyz 0.039626 -0.045146 -0.087049 0.018975 0.022213 0.090595 7C 2dx2y2 0.034080 0.002457 0.036134 0.012449 -0.006368 -0.076795 7C 2dxy 0.010777 -0.004639 -0.018800 -0.020536 -0.030548 0.030795 7C 1f0 0.003934 0.000522 -0.000253 0.001610 0.000594 0.004809 7C 1f+1 0.004557 -0.002513 0.002466 0.000270 0.003465 0.007242 7C 1f-1 0.001817 -0.002506 -0.004817 -0.000309 0.001895 0.004592 7C 1f+2 -0.008400 0.003564 -0.000222 -0.005384 -0.009987 -0.002367 7C 1f-2 0.000691 0.002685 -0.002423 0.001258 0.002271 0.001672 7C 1f+3 -0.003820 -0.002112 -0.000077 -0.004793 -0.004204 0.001175 7C 1f-3 0.001549 0.002427 0.000545 -0.004297 -0.002118 0.009318 8C 1s 0.005603 0.018403 -0.008976 0.004880 -0.003810 0.008404 8C 2s 0.011529 0.039985 -0.019479 0.011050 -0.006527 0.017377 8C 3s 0.010265 -0.032550 0.022917 -0.017624 -0.031760 -0.011950 8C 4s -0.288228 -0.548730 0.234250 -0.066183 0.342545 -0.278799 8C 5s 0.865949 4.453055 -2.084959 -0.685581 -3.825947 4.666402 8C 1pz 0.011185 0.057694 -0.050992 -0.001799 0.035956 0.015919 8C 1px -0.007328 0.024320 -0.020506 0.015530 0.023205 0.007962 8C 1py -0.023647 -0.093418 0.045508 -0.009802 -0.023559 0.003068 8C 2pz 0.002248 0.037363 -0.018745 -0.007324 0.100119 -0.109871 8C 2px -0.026484 -0.027919 0.008682 -0.001594 0.090127 -0.003021 8C 2py -0.035793 -0.015460 0.003358 0.002355 -0.100926 0.177588 8C 3pz -0.497577 -0.701434 1.021329 0.199397 -0.240346 -0.790282 8C 3px 0.844368 -0.127820 0.014670 -0.830756 0.071657 -0.640667 8C 3py 0.187147 1.186239 -0.128766 -0.313593 -0.873905 0.540113 8C 1dz2 -0.002619 0.000855 0.003985 0.001708 -0.001675 -0.002706 8C 1dxz 0.002259 -0.000173 0.000713 -0.002038 -0.003484 -0.002666 8C 1dyz 0.001285 -0.000389 0.002044 -0.002207 0.000296 -0.003910 8C 1dx2y2 0.005616 0.001695 -0.001921 -0.001541 -0.000105 -0.004334 8C 1dxy -0.004645 -0.000372 -0.000534 0.007185 0.003440 0.000687 8C 2dz2 -0.003152 0.009116 0.017765 -0.000349 -0.017490 -0.027438 8C 2dxz 0.012221 0.051832 -0.019678 -0.006512 -0.003630 0.013023 8C 2dyz 0.005005 -0.063229 0.003470 -0.019527 0.006497 -0.021406 8C 2dx2y2 -0.010251 -0.060805 0.069811 -0.012641 -0.031190 -0.057243 8C 2dxy -0.024305 -0.046974 0.049895 -0.006358 -0.002178 -0.022801 8C 1f0 0.002569 0.001841 -0.005409 0.001988 0.002048 0.003014 8C 1f+1 0.001392 -0.000854 -0.001817 -0.000160 0.000645 0.001162 8C 1f-1 0.001128 0.003533 0.001819 0.000023 -0.000185 0.001871 8C 1f+2 -0.001941 -0.003418 0.000717 -0.001606 0.004027 -0.000386 8C 1f-2 -0.002393 -0.000494 0.000035 0.000641 0.001987 -0.000646 8C 1f+3 0.000615 -0.003547 0.000575 -0.001270 -0.000266 -0.000918 8C 1f-3 0.000560 0.002902 -0.000571 -0.000238 -0.001077 -0.000886 9C 1s -0.001664 0.009195 0.017661 0.000976 -0.004324 -0.009494 9C 2s -0.004287 0.019909 0.038530 0.001637 -0.008730 -0.018095 9C 3s 0.027774 -0.018860 -0.034958 0.016025 0.000990 -0.043352 9C 4s -0.091397 -0.266687 -0.509048 -0.134779 0.159954 0.656575 9C 5s 1.077395 2.443359 3.958257 1.302717 -3.546333 -5.669065 9C 1pz -0.025295 0.034784 0.098500 -0.003216 0.029338 0.015364 9C 1px -0.018132 -0.001894 0.006136 -0.009491 -0.000009 -0.002781 9C 1py -0.018103 0.051925 0.060686 -0.013679 -0.008210 0.027330 9C 2pz -0.023102 -0.019363 0.042809 0.004575 0.179627 0.126969 9C 2px -0.007505 -0.006159 -0.044538 0.007902 -0.013708 0.045608 9C 2py -0.001746 0.015063 0.014170 -0.023525 0.062053 0.120174 9C 3pz -0.530575 -0.258537 -1.202620 -0.471119 0.328864 1.042914 9C 3px 0.719801 0.338047 0.367176 0.773413 0.486974 0.250581 9C 3py 0.150424 -0.962328 -0.530177 -0.077452 0.855354 0.005714 9C 1dz2 -0.003193 0.001787 -0.002297 -0.003751 -0.004896 0.002183 9C 1dxz 0.005688 -0.001598 0.000125 0.003787 0.000683 -0.003474 9C 1dyz 0.000104 -0.000177 0.000935 0.000214 -0.000858 -0.002994 9C 1dx2y2 0.002124 0.002110 0.001613 0.000963 -0.000526 0.003235 9C 1dxy 0.002424 0.003243 0.001031 0.005187 0.000973 -0.001531 9C 2dz2 -0.027363 0.056715 0.043868 -0.017032 -0.035375 0.024030 9C 2dxz 0.001605 0.053633 0.047530 0.015719 -0.011123 0.004056 9C 2dyz -0.034900 0.022387 0.073107 -0.019919 -0.006464 -0.022580 9C 2dx2y2 -0.005174 -0.009717 -0.059057 -0.000265 -0.004940 0.013900 9C 2dxy 0.005240 -0.013033 0.011738 -0.001074 0.002302 -0.006191 9C 1f0 0.001485 -0.002580 0.001482 0.000207 -0.000770 -0.000510 9C 1f+1 0.000785 0.000612 -0.002900 0.001300 -0.000846 0.002043 9C 1f-1 0.002412 -0.001362 -0.002070 0.001425 -0.000239 -0.003798 9C 1f+2 -0.001766 -0.001835 -0.000890 -0.001914 0.000621 0.003890 9C 1f-2 0.002144 -0.001049 0.002188 0.001636 -0.000431 -0.004503 9C 1f+3 0.001497 -0.004691 -0.004245 -0.000168 0.001551 0.002433 9C 1f-3 0.000517 0.001001 -0.002642 0.000785 0.000212 0.001898 10H 1s -0.014803 -0.007485 -0.006960 -0.013987 0.009970 -0.003961 10H 2s -0.012532 -0.093558 -0.080977 -0.006347 0.049796 -0.067098 10H 3s 0.271658 0.075064 -0.082005 0.244927 -0.638390 -0.657122 10H 1pz 0.012398 -0.001382 -0.004843 0.009906 -0.000057 0.006126 10H 1px 0.002610 0.009447 0.008133 0.001479 -0.007962 -0.002201 10H 1py 0.003571 -0.007254 -0.000631 0.007922 0.001923 -0.002484 11H 1s 0.009042 -0.001655 -0.004344 -0.001118 0.011014 0.001479 11H 2s 0.031832 0.149019 -0.030368 -0.066092 -0.001271 0.063016 11H 3s -0.115854 0.461679 0.596382 -0.244843 -0.303707 -0.527206 11H 1pz -0.000481 0.013145 -0.005622 -0.002213 -0.008113 0.013661 11H 1px -0.001069 0.007365 -0.001343 -0.001892 -0.000896 0.009206 11H 1py -0.005790 0.003324 0.004593 -0.001982 -0.004710 -0.001633 12H 1s 0.003559 -0.000876 -0.011855 0.013727 -0.008565 0.018529 12H 2s -0.072031 -0.094214 -0.025556 0.034891 -0.018418 0.036555 12H 3s -0.316791 0.159246 0.598679 -0.252269 0.062034 -1.087173 12H 1pz -0.005546 -0.002562 0.008323 -0.009281 0.009043 -0.013788 12H 1px -0.003966 0.000499 0.001727 -0.004418 0.001703 0.005041 12H 1py -0.003090 -0.014322 -0.003879 0.001342 0.007494 0.000800 13H 1s -0.012513 -0.008902 0.004046 0.023377 -0.006524 -0.014853 13H 2s 0.015513 -0.047669 0.091739 0.097769 -0.106389 -0.127745 13H 3s 0.264903 0.124461 0.063413 -0.249930 -0.472493 0.716190 13H 1pz 0.007641 -0.003165 0.011969 0.000106 -0.003337 -0.011819 13H 1px 0.002504 0.007093 -0.003613 -0.004234 0.000328 0.010241 13H 1py -0.009605 0.000500 -0.000505 0.011409 -0.003686 0.000618 14H 1s 0.018684 -0.012680 0.004873 -0.001299 0.016000 0.010196 14H 2s 0.090995 -0.030551 0.092916 0.087834 0.031282 0.056994 14H 3s -0.417067 0.491922 -0.214503 0.359291 -0.729923 0.142970 14H 1pz 0.005162 -0.000865 0.011975 0.002993 -0.006311 -0.008339 14H 1px 0.002550 -0.003096 0.005218 0.003900 0.004070 -0.002108 14H 1py 0.011928 -0.007868 0.001701 -0.008458 0.009358 0.006504 15H 1s -0.002143 -0.004961 -0.002159 -0.004342 0.002539 -0.010513 15H 2s -0.057352 -0.064771 -0.171197 0.004107 0.069204 0.041831 15H 3s -0.346881 0.570296 -0.507658 0.001141 -0.147024 0.617358 15H 1pz -0.001669 0.004044 0.000115 0.004255 -0.001558 0.006536 15H 1px -0.000994 -0.001110 -0.006202 0.002708 0.004758 0.006045 15H 1py 0.000239 0.008655 0.013306 -0.003462 -0.011252 -0.010123 16H 1s 0.040940 -0.010426 -0.003885 0.012467 0.044372 0.005425 16H 2s 0.340095 -0.109208 -0.020779 0.070965 0.581698 -0.030654 16H 3s -0.031120 0.045171 0.014647 0.061268 -0.341826 0.168306 16H 1pz 0.020129 -0.009164 -0.002117 0.002756 0.037617 -0.006377 16H 1px 0.008150 -0.001521 0.001516 0.003323 -0.005577 0.007786 16H 1py 0.005709 0.000450 -0.001943 0.003853 0.010205 -0.001826 17H 1s -0.039377 0.009049 -0.008884 0.011839 -0.040753 0.002090 17H 2s -0.343048 0.032596 -0.069710 -0.011493 -0.489648 -0.029419 17H 3s 0.155551 -0.054425 -0.040898 0.155846 0.268480 0.129796 17H 1pz 0.020714 -0.004514 0.000767 -0.000142 0.021019 0.000395 17H 1px 0.008303 -0.001372 0.000444 0.010617 0.022009 0.006554 17H 1py -0.009836 -0.000292 -0.004043 0.000440 -0.010855 -0.001704 18H 1s -0.039748 -0.008741 0.008496 0.011400 0.040941 -0.000176 18H 2s -0.337601 -0.028448 0.073529 -0.014122 0.485426 0.061632 18H 3s 0.137147 0.054444 0.032883 0.156371 -0.261302 -0.173777 18H 1pz -0.021038 -0.004422 0.000977 -0.000168 0.021215 0.001597 18H 1px -0.007355 -0.001215 0.001129 -0.010502 0.021312 0.009056 18H 1py 0.009128 -0.000615 -0.004000 -0.000493 -0.010031 -0.002201 19H 1s 0.040796 0.010956 0.003399 0.013391 -0.044203 -0.007554 19H 2s 0.342188 0.116909 0.017927 0.078810 -0.575584 -0.015724 19H 3s -0.042038 -0.046423 -0.016038 0.060187 0.336852 -0.142066 19H 1pz -0.020075 -0.009525 -0.001874 -0.003148 0.036754 -0.002618 19H 1px -0.007671 -0.001396 0.001669 -0.003365 -0.005502 0.006295 19H 1py -0.006330 0.000001 -0.001994 -0.004454 0.010858 -0.001079 20H 1s -0.002667 0.004811 0.002175 -0.004412 -0.002453 0.008358 20H 2s -0.058585 0.064230 0.168512 0.010184 -0.067032 -0.058313 20H 3s -0.353674 -0.568291 0.507162 0.042166 0.140929 -0.572932 20H 1pz 0.001616 0.003980 0.000161 -0.004445 -0.001513 0.005662 20H 1px 0.001164 -0.001202 -0.006103 -0.002964 0.004754 0.005943 20H 1py 0.000171 0.008691 0.012981 0.003847 -0.010956 -0.010480 21H 1s 0.018245 0.012495 -0.004722 -0.001590 -0.015863 -0.010645 21H 2s 0.084806 0.031595 -0.095356 0.082930 -0.029201 -0.059096 21H 3s -0.417635 -0.487930 0.201804 0.374325 0.721577 -0.108640 21H 1pz -0.005074 -0.000952 0.012038 -0.002363 -0.006392 -0.008190 21H 1px -0.002011 -0.003131 0.005283 -0.003510 0.003886 -0.001579 21H 1py -0.012026 -0.007641 0.001312 0.008549 0.009460 0.006360 22H 1s -0.011928 0.009411 -0.004855 0.022795 0.007042 0.014661 22H 2s 0.023114 0.049497 -0.094128 0.091670 0.110123 0.130890 22H 3s 0.273411 -0.131470 -0.056637 -0.242217 0.466656 -0.710709 22H 1pz -0.007832 -0.003132 0.011809 0.000610 -0.003365 -0.011836 22H 1px -0.002067 0.007259 -0.003803 0.003841 0.000576 0.009959 22H 1py 0.009642 0.000267 -0.000089 -0.011325 -0.003769 0.000728 23H 1s 0.003264 0.001162 0.010935 0.013698 0.008412 -0.019590 23H 2s -0.075925 0.095892 0.020718 0.030104 0.015876 -0.045011 23H 3s -0.309986 -0.170152 -0.592682 -0.269023 -0.062917 1.064856 23H 1pz 0.005373 -0.002411 0.007797 0.009423 0.009003 -0.013641 23H 1px 0.003824 0.000534 0.001661 0.004572 0.001830 0.005559 23H 1py 0.003497 -0.014386 -0.003585 -0.001015 0.007602 0.000612 24H 1s 0.009412 0.001856 0.004699 -0.000807 -0.010963 -0.003754 24H 2s 0.036822 -0.147113 0.035927 -0.061302 -0.000489 -0.076975 24H 3s -0.117329 -0.468567 -0.582751 -0.265819 0.305222 0.524338 24H 1pz 0.000135 0.012968 -0.005837 0.001637 -0.007926 0.012927 24H 1px 0.000803 0.007194 -0.001585 0.001732 -0.000635 0.009656 24H 1py 0.005894 0.003568 0.004641 0.002304 -0.004684 -0.001534 25H 1s -0.014296 0.006990 0.007545 -0.013593 -0.009989 0.006178 25H 2s -0.012205 0.089445 0.081054 -0.002979 -0.048023 0.102523 25H 3s 0.247361 -0.070433 0.074560 0.243152 0.642207 0.615311 25H 1pz -0.012282 -0.001458 -0.004538 -0.010063 -0.000209 0.005004 25H 1px -0.002417 0.009301 0.008160 -0.001082 -0.007889 -0.000271 25H 1py -0.003448 -0.007157 -0.000074 -0.007821 0.001686 -0.002749 26O 1s -0.000562 -0.004346 -0.009788 0.000493 0.001471 -0.000066 26O 2s -0.000380 -0.010782 -0.024876 0.002475 0.003137 0.001202 26O 3s -0.013802 0.019106 0.052623 -0.025402 0.002370 -0.027355 26O 4s 0.111415 0.029203 0.005958 0.118884 -0.046867 0.094386 26O 5s -0.946813 0.272862 0.833936 -0.735707 -0.268618 -0.174904 26O 1pz 0.035332 0.005563 -0.054248 0.042703 -0.030717 -0.036239 26O 1px 0.007499 -0.039519 -0.121447 0.023284 0.006609 0.001091 26O 1py 0.030464 -0.057404 -0.050713 0.021547 -0.071161 0.006875 26O 2pz 0.020817 -0.015028 -0.062582 0.015617 -0.005551 -0.053667 26O 2px 0.010641 -0.047260 -0.125769 -0.000167 0.036718 -0.033427 26O 2py 0.025063 -0.047774 -0.063756 0.006593 -0.066805 0.007737 26O 3pz 0.250703 0.100455 -0.079395 0.355000 -0.248150 0.010119 26O 3px 0.329633 -0.147014 -0.553771 0.204459 0.074921 -0.204825 26O 3py 0.339535 -0.208628 -0.181302 0.148083 -0.047891 -0.176603 26O 1dz2 0.000272 0.000316 0.003184 -0.000884 0.000159 0.003420 26O 1dxz 0.000134 -0.001257 0.000415 -0.000813 0.000948 0.000403 26O 1dyz -0.001157 0.000736 0.001109 -0.000248 0.001024 0.000543 26O 1dx2y2 0.000974 -0.002312 -0.001777 -0.002494 0.000021 -0.006057 26O 1dxy -0.000535 0.000672 -0.002471 -0.000876 -0.000535 -0.002269 26O 2dz2 0.011351 -0.000973 -0.000995 0.009089 -0.004854 0.008683 26O 2dxz -0.005990 0.001520 0.004559 -0.007261 -0.012860 0.003968 26O 2dyz 0.003463 0.001267 0.001530 0.000647 0.005764 -0.004601 26O 2dx2y2 -0.012620 -0.001857 0.000854 -0.006527 -0.011204 0.016397 26O 2dxy -0.020604 0.002148 0.001440 -0.000388 -0.014801 0.013945 26O 1f0 -0.000359 0.000575 0.000910 -0.000136 -0.001512 0.001061 26O 1f+1 -0.000538 -0.000260 -0.000312 0.000302 0.000016 0.001133 26O 1f-1 -0.000090 -0.000326 -0.000664 0.000392 -0.000314 -0.000005 26O 1f+2 0.000273 -0.000023 -0.000041 -0.000010 0.000968 -0.000382 26O 1f-2 0.000661 -0.000924 -0.001774 0.000486 0.000111 0.000175 26O 1f+3 -0.000233 -0.000399 -0.000825 0.000138 -0.000834 0.002164 26O 1f-3 -0.001044 0.000280 0.000917 -0.000172 -0.000200 0.001358 27O 1s 0.004372 -0.009056 0.004602 0.000990 0.001306 0.000632 27O 2s 0.012053 -0.023073 0.011481 0.001365 0.004559 0.001586 27O 3s -0.043652 0.049776 -0.021580 0.014901 -0.032651 0.000046 27O 4s 0.083218 0.003846 -0.026526 -0.119837 0.097002 0.004739 27O 5s -0.505701 0.701927 -0.280638 0.713947 -0.168710 -0.019789 27O 1pz 0.022677 0.007948 0.048636 -0.034686 0.007713 0.048047 27O 1px 0.062909 -0.121669 0.069348 -0.011739 0.006653 0.017008 27O 1py -0.049461 0.051879 -0.008577 0.035087 0.053764 -0.017781 27O 2pz 0.014246 -0.004316 0.041563 -0.019160 0.020601 0.062979 27O 2px 0.021192 -0.125730 0.065018 0.010570 -0.015013 0.032645 27O 2py -0.010521 0.059359 -0.022109 0.008848 0.066966 0.000172 27O 3pz 0.140614 0.106681 0.122080 -0.263294 -0.114966 -0.001910 27O 3px 0.149495 -0.518123 0.243862 -0.348575 -0.332924 0.116449 27O 3py -0.394162 0.106862 0.023224 0.339255 0.172912 -0.247273 27O 1dz2 0.002181 0.001228 -0.000672 0.000161 0.001884 -0.001910 27O 1dxz 0.001016 0.000005 -0.001808 0.001146 0.002480 -0.000229 27O 1dyz 0.000729 -0.001059 0.001323 -0.001068 -0.001074 -0.000054 27O 1dx2y2 -0.000608 -0.003880 0.000118 0.001304 -0.005386 0.004291 27O 1dxy 0.001140 -0.000223 -0.001019 -0.000530 0.000862 0.000489 27O 2dz2 -0.003534 0.002335 -0.002903 -0.011114 -0.023395 -0.008337 27O 2dxz 0.003416 0.002308 -0.002617 0.004837 -0.007569 0.004814 27O 2dyz -0.004674 -0.000581 0.001208 0.008012 0.004997 0.005935 27O 2dx2y2 -0.001023 -0.001218 -0.000243 0.012705 0.010437 -0.020000 27O 2dxy 0.002559 -0.004179 -0.000334 -0.003899 -0.001452 -0.000657 27O 1f0 -0.000613 0.001121 -0.000512 0.000376 -0.000790 -0.000615 27O 1f+1 0.000092 0.000546 -0.000051 0.000337 0.001481 -0.000779 27O 1f-1 -0.000071 -0.000417 0.000229 0.000000 0.000272 0.000296 27O 1f+2 -0.000087 -0.000106 0.000062 0.000227 0.001431 -0.000383 27O 1f-2 -0.000635 0.001062 -0.000690 0.000046 0.000170 -0.000372 27O 1f+3 0.000822 -0.000934 0.000668 0.000191 0.000465 -0.002108 27O 1f-3 0.000146 -0.001158 0.000593 -0.000439 -0.001403 -0.000966 28O 1s 0.000059 -0.004852 -0.007684 0.000344 0.003818 -0.002184 28O 2s -0.001046 -0.011986 -0.018989 0.000013 0.010843 -0.005090 28O 3s 0.022127 0.020722 0.031105 0.014249 -0.044664 0.001261 28O 4s -0.090442 0.039874 0.061798 -0.072508 0.088322 0.041572 28O 5s 0.257867 0.189537 0.381368 0.246352 -0.400924 -0.109447 28O 1pz -0.039279 -0.019167 -0.098250 -0.049433 -0.008694 -0.056179 28O 1px 0.014943 0.056084 0.070098 0.001163 -0.021565 0.005464 28O 1py -0.035376 -0.054521 0.000476 -0.017748 -0.036027 -0.014208 28O 2pz 0.013634 -0.023371 -0.111308 0.007881 -0.013645 -0.070278 28O 2px 0.005439 0.052693 0.070170 -0.005026 -0.007369 0.011119 28O 2py -0.004657 -0.057787 -0.004999 0.000435 -0.029171 -0.011494 28O 3pz -0.340914 -0.054174 -0.341670 -0.516815 -0.299980 -0.110042 28O 3px -0.173531 0.207048 0.419232 -0.166091 0.128462 0.045677 28O 3py -0.379409 -0.100563 0.001487 -0.203159 -0.165361 -0.135045 28O 1dz2 -0.001059 -0.001167 0.001623 0.001411 0.001255 -0.000124 28O 1dxz -0.002007 0.000915 0.003452 -0.000328 0.003631 0.003509 28O 1dyz 0.001909 0.001561 0.000717 0.000465 0.000226 0.001432 28O 1dx2y2 0.001459 -0.000426 -0.002606 0.002429 -0.004252 -0.002633 28O 1dxy 0.000759 -0.001282 0.000898 0.001030 0.001389 -0.001201 28O 2dz2 -0.002794 -0.001310 0.002006 0.001606 -0.013289 0.008508 28O 2dxz 0.001208 0.001355 -0.004551 -0.006387 -0.022476 0.006024 28O 2dyz -0.005881 0.000477 -0.000421 -0.008449 0.005993 -0.009279 28O 2dx2y2 0.001060 -0.000443 -0.001293 -0.002700 0.002287 0.021398 28O 2dxy -0.006807 -0.003286 -0.000968 -0.000949 0.003817 -0.000487 28O 1f0 -0.000207 -0.000388 -0.000693 -0.000328 0.001123 0.000379 28O 1f+1 -0.000210 0.000330 0.001074 0.000067 -0.000234 0.000869 28O 1f-1 -0.000847 -0.000758 -0.001940 -0.000657 -0.001413 0.000225 28O 1f+2 0.000809 0.000375 0.000499 0.000370 -0.001471 -0.000600 28O 1f-2 -0.000337 0.000390 0.000797 -0.000364 0.000814 -0.001392 28O 1f+3 0.000294 0.000240 0.000081 -0.000097 -0.000588 -0.001422 28O 1f-3 -0.000034 0.000050 0.000127 0.000271 0.000559 -0.000794 29O 1s -0.000760 -0.000321 -0.001090 0.005099 0.000699 0.004845 29O 2s -0.001661 -0.000836 -0.002546 0.012453 0.001602 0.011996 29O 3s -0.000059 0.001704 0.001909 -0.022433 -0.000048 -0.025207 29O 4s 0.018904 -0.007234 0.013537 -0.026110 -0.011544 -0.016566 29O 5s -0.024612 0.076099 0.032974 -0.114073 -0.038705 -0.098836 29O 1pz -0.008417 0.001591 0.004796 -0.002047 0.051974 0.014591 29O 1px -0.006149 0.004811 0.009943 -0.027901 0.023779 -0.046511 29O 1py 0.011555 0.000533 0.022959 -0.087332 -0.001248 -0.060974 29O 2pz 0.029197 -0.020523 -0.002760 0.010060 0.138732 0.029866 29O 2px 0.011712 0.001585 0.014586 -0.053853 0.054726 -0.104690 29O 2py 0.012776 0.009825 0.016581 -0.127779 -0.000866 -0.134815 29O 3pz 0.237633 0.018080 0.065392 0.010020 0.371210 -0.080768 29O 3px 0.062583 0.010867 0.025863 0.118178 0.121306 0.250398 29O 3py -0.030413 -0.083615 0.021837 0.081378 -0.021981 0.216394 29O 1dz2 0.004984 -0.001511 -0.000480 0.000097 0.005027 -0.001147 29O 1dxz -0.004972 0.001210 -0.000130 -0.000733 -0.003944 -0.000976 29O 1dyz 0.005927 -0.000974 0.000032 0.001634 0.008308 -0.000095 29O 1dx2y2 -0.001593 0.000827 0.000050 0.000004 -0.001147 -0.000011 29O 1dxy 0.002958 -0.000782 0.001753 -0.002074 0.003285 0.000675 29O 2dz2 -0.001919 0.000779 0.000444 0.000482 -0.020379 0.004754 29O 2dxz 0.000072 0.000126 0.000494 0.003311 0.020458 -0.001046 29O 2dyz -0.010976 0.001803 -0.002821 0.000942 -0.024367 0.002651 29O 2dx2y2 0.000951 -0.000544 -0.001003 0.003377 0.007713 0.003414 29O 2dxy -0.004646 -0.000585 0.002199 -0.015342 -0.009166 -0.007584 29O 1f0 0.000474 -0.000347 -0.000170 0.000125 0.001700 -0.000229 29O 1f+1 0.000399 -0.000049 0.000185 -0.000137 0.001530 -0.000161 29O 1f-1 0.000720 -0.000523 0.000113 -0.000796 0.002452 -0.000976 29O 1f+2 -0.000107 0.000299 0.000202 -0.000190 -0.001030 0.000088 29O 1f-2 -0.001388 0.000144 -0.000164 -0.000892 -0.003047 -0.000450 29O 1f+3 0.000334 0.000005 -0.000319 0.001004 0.001006 0.000286 29O 1f-3 0.000711 0.000045 -0.000055 0.000474 0.001473 0.000202 30O 1s 0.002146 -0.009530 0.002613 -0.001811 0.000241 -0.002166 30O 2s 0.004365 -0.023720 0.006328 -0.003314 0.000550 -0.006552 30O 3s 0.005583 0.041883 -0.008266 -0.014039 -0.000812 0.033740 30O 4s -0.103452 0.050636 -0.042992 0.097658 0.005591 -0.055099 30O 5s 0.718878 0.665690 -0.049201 -0.221519 -0.399740 0.184806 30O 1pz -0.004651 -0.042303 0.075529 0.055290 -0.028727 0.009208 30O 1px -0.024434 0.076062 -0.022337 -0.011213 -0.009465 0.035671 30O 1py 0.025884 0.087448 -0.014084 -0.045592 0.067776 0.005868 30O 2pz -0.002234 -0.051772 0.074783 0.010223 -0.022467 0.024982 30O 2px -0.006644 0.081910 -0.016981 -0.003467 -0.022824 0.018671 30O 2py -0.000738 0.103909 -0.021107 0.018604 0.050929 0.001966 30O 3pz -0.180156 -0.269962 0.210990 0.371982 0.000723 0.100066 30O 3px -0.033364 0.483554 -0.112051 0.304301 -0.143653 -0.148581 30O 3py 0.469107 0.313634 -0.042773 -0.478627 0.105495 -0.204000 30O 1dz2 -0.001818 -0.000308 -0.001490 0.000678 0.000832 -0.000374 30O 1dxz -0.000716 0.003754 -0.000104 0.001116 -0.000684 -0.004817 30O 1dyz -0.000058 0.000941 0.001070 0.003004 -0.000169 -0.001785 30O 1dx2y2 0.000103 -0.002372 0.000007 -0.002408 -0.001291 0.003788 30O 1dxy -0.000380 -0.002842 0.001559 -0.000245 -0.001700 0.002646 30O 2dz2 -0.002701 0.000564 -0.003306 -0.005856 -0.010302 -0.006128 30O 2dxz -0.011070 -0.002060 0.001471 0.004076 0.000627 -0.001257 30O 2dyz -0.002598 -0.004418 0.001124 -0.007594 0.016782 0.020614 30O 2dx2y2 0.002394 -0.000587 -0.001150 0.003053 -0.005238 -0.016344 30O 2dxy 0.018998 0.007802 -0.000355 -0.001277 -0.014977 -0.010606 30O 1f0 0.000599 0.001158 -0.000450 -0.000306 0.000598 -0.000799 30O 1f+1 0.000261 0.000331 -0.000036 0.000062 -0.001252 -0.001371 30O 1f-1 -0.000115 0.000970 -0.000591 -0.000459 -0.000554 -0.000429 30O 1f+2 -0.000158 0.001712 -0.001169 -0.001330 0.000031 0.000905 30O 1f-2 -0.000277 -0.000879 0.000083 -0.000601 0.001208 0.001946 30O 1f+3 0.000035 0.000493 0.000031 0.000367 -0.000044 0.001031 30O 1f-3 -0.000411 0.000489 -0.000572 -0.000632 -0.000096 0.001216 31O 1s 0.001969 0.009549 -0.002477 -0.002207 -0.000379 0.001723 31O 2s 0.003922 0.023798 -0.006035 -0.004308 -0.000882 0.005398 31O 3s 0.006488 -0.042536 0.008507 -0.012114 0.001149 -0.030496 31O 4s -0.104046 -0.048238 0.038945 0.099781 -0.004650 0.053331 31O 5s 0.733156 -0.676016 0.052902 -0.200114 0.418355 -0.207510 31O 1pz 0.003269 -0.043790 0.077242 -0.050451 -0.029576 0.015255 31O 1px 0.023891 0.076205 -0.022610 0.008423 -0.009244 0.026760 31O 1py -0.024557 0.088688 -0.015733 0.042255 0.068619 -0.001503 31O 2pz 0.001622 -0.052345 0.074586 -0.005241 -0.022423 0.029386 31O 2px 0.006011 0.082106 -0.016961 0.001018 -0.023422 0.013093 31O 2py 0.000729 0.103745 -0.020036 -0.022107 0.049654 -0.002147 31O 3pz 0.173898 -0.278181 0.225859 -0.357498 -0.001610 0.101154 31O 3px 0.026630 0.476936 -0.098659 -0.318238 -0.154142 -0.157675 31O 3py -0.455850 0.324873 -0.061747 0.467853 0.115602 -0.220164 31O 1dz2 -0.001776 0.000320 0.001464 0.000720 -0.000792 0.000412 31O 1dxz -0.000707 -0.003723 0.000060 0.001173 0.000732 0.004799 31O 1dyz 0.000007 -0.000877 -0.001191 0.002972 0.000234 0.001586 31O 1dx2y2 0.000056 0.002325 0.000086 -0.002453 0.001242 -0.004129 31O 1dxy -0.000432 0.002832 -0.001544 -0.000368 0.001678 -0.002658 31O 2dz2 -0.002665 -0.000658 0.003526 -0.005700 0.010135 0.006525 31O 2dxz -0.011101 0.002279 -0.001701 0.004064 -0.000966 0.002430 31O 2dyz -0.002733 0.004344 -0.000755 -0.007595 -0.017283 -0.019435 31O 2dx2y2 0.001989 0.000624 0.000974 0.003001 0.005349 0.015111 31O 2dxy 0.018852 -0.007944 0.000359 -0.001248 0.015170 0.010014 31O 1f0 -0.000586 0.001170 -0.000466 0.000266 0.000602 -0.000843 31O 1f+1 -0.000272 0.000331 -0.000030 -0.000065 -0.001255 -0.001376 31O 1f-1 0.000129 0.000976 -0.000599 0.000417 -0.000543 -0.000446 31O 1f+2 0.000193 0.001730 -0.001221 0.001233 0.000077 0.000788 31O 1f-2 0.000299 -0.000872 0.000056 0.000609 0.001248 0.001904 31O 1f+3 -0.000074 0.000484 0.000048 -0.000378 -0.000061 0.000993 31O 1f-3 0.000436 0.000492 -0.000599 0.000584 -0.000062 0.001156 32O 1s -0.000802 0.000421 0.000906 0.005147 -0.000572 -0.004021 32O 2s -0.001794 0.001069 0.002096 0.012566 -0.001299 -0.009994 32O 3s 0.000713 -0.001887 -0.001024 -0.022487 -0.000372 0.021993 32O 4s 0.017093 0.006492 -0.012711 -0.026721 0.010238 0.006314 32O 5s -0.022624 -0.082511 -0.030399 -0.116262 0.036690 0.108625 32O 1pz 0.008930 0.001264 0.004444 0.000487 0.052074 0.020380 32O 1px 0.004661 0.005032 0.008621 0.027272 0.024169 -0.046301 32O 1py -0.013855 0.002257 0.019315 0.088569 0.001095 -0.060375 32O 2pz -0.028405 -0.021345 -0.002479 -0.013347 0.137988 0.042673 32O 2px -0.013390 0.002182 0.012378 0.052851 0.055391 -0.096752 32O 2py -0.017720 0.011550 0.011102 0.128292 0.004527 -0.132703 32O 3pz -0.237151 0.016785 0.067740 -0.011467 0.367979 -0.046409 32O 3px -0.059907 0.012317 0.031573 -0.117909 0.114188 0.230279 32O 3py 0.025503 -0.088994 0.024793 -0.080082 -0.015056 0.215485 32O 1dz2 0.004755 0.001518 0.000494 0.000140 -0.004638 0.000748 32O 1dxz -0.005085 -0.001212 0.000203 -0.000788 0.004100 0.001014 32O 1dyz 0.006005 0.001061 -0.000126 0.001729 -0.008363 -0.000492 32O 1dx2y2 -0.001761 -0.000877 -0.000030 -0.000027 0.001373 0.000208 32O 1dxy 0.002818 0.000668 -0.001675 -0.002146 -0.003121 -0.000758 32O 2dz2 -0.001444 -0.000833 -0.000485 0.000432 0.018708 -0.002645 32O 2dxz 0.000057 -0.000135 -0.000757 0.003610 -0.020569 -0.001878 32O 2dyz -0.011155 -0.001928 0.002881 0.000878 0.024477 -0.000571 32O 2dx2y2 0.000919 0.000685 0.000858 0.003668 -0.008165 -0.003991 32O 2dxy -0.003636 0.000551 -0.001437 -0.015270 0.008197 0.008157 32O 1f0 -0.000458 -0.000355 -0.000172 -0.000199 0.001570 -0.000027 32O 1f+1 -0.000423 -0.000029 0.000203 0.000114 0.001563 0.000012 32O 1f-1 -0.000789 -0.000546 0.000073 0.000781 0.002463 -0.000754 32O 1f+2 0.000101 0.000335 0.000199 0.000153 -0.001016 0.000002 32O 1f-2 0.001317 0.000150 -0.000207 0.000927 -0.002998 -0.000754 32O 1f+3 -0.000229 0.000005 -0.000274 -0.000988 0.000867 0.000373 32O 1f-3 -0.000699 0.000032 -0.000038 -0.000517 0.001470 0.000309 33O 1s 0.000458 0.004793 0.007667 0.000637 -0.003797 0.001652 33O 2s -0.000020 0.011831 0.018987 0.000760 -0.010797 0.003749 33O 3s 0.019702 -0.020292 -0.031795 0.012651 0.044740 0.001206 33O 4s -0.088982 -0.040108 -0.058127 -0.072763 -0.088606 -0.045006 33O 5s 0.213544 -0.183709 -0.396585 0.225785 0.389976 0.220832 33O 1pz 0.038642 -0.017679 -0.100581 0.045459 -0.008447 -0.053442 33O 1px -0.013183 0.055992 0.069976 0.000698 -0.021388 -0.003030 33O 1py 0.034768 -0.054088 -0.000398 0.018658 -0.036326 -0.013914 33O 2pz -0.014907 -0.022636 -0.111079 -0.012077 -0.014696 -0.064446 33O 2px -0.003040 0.052882 0.069929 0.006990 -0.006887 0.001111 33O 2py 0.004055 -0.057753 -0.005029 -0.000124 -0.029499 -0.010418 33O 3pz 0.333932 -0.045187 -0.366126 0.504440 -0.296020 -0.075531 33O 3px 0.185948 0.209946 0.412418 0.177822 0.135756 -0.025928 33O 3py 0.378017 -0.096797 -0.008545 0.208646 -0.165321 -0.133324 33O 1dz2 -0.001033 0.001196 -0.001691 0.001313 -0.001236 0.000389 33O 1dxz -0.002035 -0.000937 -0.003436 -0.000421 -0.003631 -0.003156 33O 1dyz 0.001923 -0.001553 -0.000735 0.000482 -0.000232 -0.001140 33O 1dx2y2 0.001526 0.000482 0.002496 0.002497 0.004316 0.002030 33O 1dxy 0.000715 0.001303 -0.000943 0.000984 -0.001364 0.000924 33O 2dz2 -0.002748 0.001296 -0.002138 0.001463 0.013317 -0.006977 33O 2dxz 0.001764 -0.001492 0.004923 -0.006276 0.022735 -0.008451 33O 2dyz -0.005897 -0.000654 0.000801 -0.008329 -0.006139 0.010472 33O 2dx2y2 0.000802 0.000346 0.001246 -0.002661 -0.002539 -0.020864 33O 2dxy -0.006641 0.003341 0.001100 -0.000951 -0.003642 -0.001152 33O 1f0 0.000217 -0.000382 -0.000709 0.000303 0.001144 0.000325 33O 1f+1 0.000225 0.000327 0.001079 -0.000041 -0.000232 0.000657 33O 1f-1 0.000838 -0.000750 -0.001971 0.000606 -0.001397 0.000233 33O 1f+2 -0.000845 0.000367 0.000511 -0.000355 -0.001491 -0.000396 33O 1f-2 0.000360 0.000395 0.000781 0.000383 0.000833 -0.001519 33O 1f+3 -0.000288 0.000240 0.000073 0.000098 -0.000597 -0.001381 33O 1f-3 0.000055 0.000048 0.000139 -0.000263 0.000567 -0.000893 34O 1s 0.004093 0.009064 -0.004630 0.000621 -0.001252 -0.001812 34O 2s 0.011349 0.023056 -0.011513 0.000454 -0.004412 -0.004508 34O 3s -0.042166 -0.049173 0.021055 0.016447 0.032128 0.005514 34O 4s 0.083424 -0.007437 0.030627 -0.117032 -0.097028 0.003460 34O 5s -0.490822 -0.678137 0.253383 0.733976 0.179677 -0.025261 34O 1pz -0.023567 0.008894 0.046785 0.036014 0.007908 0.045697 34O 1px -0.062469 -0.121322 0.068600 0.017564 0.006326 0.030926 34O 1py 0.050671 0.050898 -0.007467 -0.036803 0.053282 -0.018881 34O 2pz -0.015012 -0.003808 0.040096 0.020374 0.020621 0.060533 34O 2px -0.020191 -0.125802 0.064956 -0.004793 -0.015298 0.043492 34O 2py 0.011260 0.059216 -0.021897 -0.011500 0.066224 -0.002936 34O 3pz -0.145543 0.113557 0.112233 0.266005 -0.113166 -0.009870 34O 3px -0.147076 -0.508688 0.229281 0.372160 -0.319059 0.102693 34O 3py 0.400490 0.096786 0.034930 -0.340476 0.169113 -0.209020 34O 1dz2 0.002179 -0.001227 0.000651 0.000227 -0.001856 0.002024 34O 1dxz 0.001089 0.000007 0.001744 0.001225 -0.002443 0.000407 34O 1dyz 0.000766 0.001026 -0.001279 -0.001152 0.001089 0.000024 34O 1dx2y2 -0.000602 0.003909 -0.000172 0.001184 0.005323 -0.004341 34O 1dxy 0.001181 0.000222 0.001041 -0.000492 -0.000896 -0.000547 34O 2dz2 -0.003832 -0.002596 0.003302 -0.011021 0.023050 0.009852 34O 2dxz 0.003242 -0.002233 0.002383 0.004970 0.007651 -0.004038 34O 2dyz -0.004448 0.000805 -0.001476 0.007976 -0.004867 -0.005905 34O 2dx2y2 -0.000830 0.001591 -0.000280 0.012737 -0.010018 0.017449 34O 2dxy 0.002605 0.004055 0.000469 -0.004009 0.001165 0.002084 34O 1f0 0.000637 0.001109 -0.000494 -0.000425 -0.000786 -0.000666 34O 1f+1 -0.000108 0.000541 -0.000041 -0.000359 0.001450 -0.000729 34O 1f-1 0.000056 -0.000415 0.000232 0.000019 0.000280 0.000290 34O 1f+2 0.000076 -0.000113 0.000065 -0.000227 0.001431 -0.000341 34O 1f-2 0.000668 0.001056 -0.000681 -0.000108 0.000177 -0.000357 34O 1f+3 -0.000842 -0.000927 0.000683 -0.000135 0.000430 -0.002034 34O 1f-3 -0.000146 -0.001144 0.000572 0.000505 -0.001378 -0.000999 35O 1s -0.000523 0.004331 0.009754 0.000802 -0.001398 -0.001367 35O 2s -0.000295 0.010784 0.024732 0.003250 -0.002968 -0.004633 35O 3s -0.013777 -0.019762 -0.051368 -0.026847 -0.002449 0.031344 35O 4s 0.109769 -0.025345 -0.011519 0.118107 0.046244 -0.078295 35O 5s -0.929563 -0.289838 -0.799387 -0.764009 0.251313 0.209170 35O 1pz -0.033525 0.004646 -0.052253 -0.044652 -0.030982 -0.038358 35O 1px -0.008235 -0.040145 -0.120287 -0.027300 0.006617 0.014425 35O 1py -0.030809 -0.057843 -0.049461 -0.021280 -0.070229 0.009058 35O 2pz -0.019668 -0.015200 -0.061892 -0.018094 -0.006501 -0.050931 35O 2px -0.010840 -0.047325 -0.125606 -0.004348 0.035803 -0.016478 35O 2py -0.025814 -0.047613 -0.063478 -0.007206 -0.066202 0.014728 35O 3pz -0.239243 0.091787 -0.062663 -0.356334 -0.244810 -0.044156 35O 3px -0.325291 -0.151411 -0.544543 -0.226345 0.067439 -0.154104 35O 3py -0.331895 -0.212503 -0.172536 -0.150673 -0.047795 -0.198323 35O 1dz2 0.000328 -0.000340 -0.003156 -0.001026 -0.000220 -0.002998 35O 1dxz 0.000121 0.001253 -0.000387 -0.000872 -0.000995 -0.000154 35O 1dyz -0.001184 -0.000742 -0.001091 -0.000281 -0.000999 -0.000645 35O 1dx2y2 0.000998 0.002262 0.001876 -0.002446 -0.000016 0.005465 35O 1dxy -0.000511 -0.000682 0.002515 -0.000735 0.000588 0.001882 35O 2dz2 0.011010 0.001200 0.000505 0.009239 0.005132 -0.008604 35O 2dxz -0.006001 -0.001674 -0.004228 -0.007486 0.012617 -0.003025 35O 2dyz 0.003299 -0.001185 -0.001559 0.000522 -0.005948 0.004640 35O 2dx2y2 -0.011948 0.001716 -0.000559 -0.006735 0.010871 -0.016307 35O 2dxy -0.020208 -0.002137 -0.001437 -0.000619 0.014504 -0.013740 35O 1f0 0.000362 0.000576 0.000901 0.000171 -0.001506 0.000989 35O 1f+1 0.000523 -0.000265 -0.000303 -0.000298 0.000035 0.000996 35O 1f-1 0.000090 -0.000340 -0.000644 -0.000404 -0.000292 -0.000124 35O 1f+2 -0.000285 -0.000020 -0.000043 0.000004 0.000949 -0.000244 35O 1f-2 -0.000669 -0.000931 -0.001750 -0.000546 0.000108 0.000166 35O 1f+3 0.000204 -0.000407 -0.000820 -0.000161 -0.000819 0.002113 35O 1f-3 0.001015 0.000285 0.000912 0.000220 -0.000172 0.001214 174 175 176 177 178 179 0.36673 0.37424 0.38552 0.38951 0.39060 0.39345 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s 0.003109 0.000344 0.001873 0.003756 -0.000662 -0.000743 0Rh 2s -0.011829 -0.001364 -0.007559 -0.009640 0.002859 0.002956 0Rh 3s 0.010773 0.001160 0.006223 0.015909 -0.002084 -0.002494 0Rh 4s 0.052399 0.006077 0.033686 0.040682 -0.012831 -0.013154 0Rh 5s -0.042348 -0.005475 -0.030030 0.005767 0.013103 0.011500 0Rh 6s -0.099490 -0.008862 -0.056597 -0.227886 0.014276 0.022547 0Rh 7s 0.546792 -0.003913 0.065430 0.925461 0.012130 -0.263807 0Rh 8s -0.051241 0.047169 0.502236 0.658877 -0.170076 0.169104 0Rh 1pz 0.000726 0.012414 -0.001047 0.004353 -0.005867 -0.005401 0Rh 1px -0.013223 0.002385 0.003160 -0.000397 -0.002828 0.004696 0Rh 1py -0.001550 0.001197 0.004512 0.002609 0.005118 -0.005911 0Rh 2pz -0.002624 -0.043234 0.003666 -0.014778 0.020319 0.018244 0Rh 2px 0.045745 -0.008268 -0.011256 0.000749 0.009834 -0.016061 0Rh 2py 0.005288 -0.004018 -0.015597 -0.009062 -0.017256 0.020298 0Rh 3pz 0.004833 0.048310 -0.004291 0.009219 -0.020384 -0.009529 0Rh 3px -0.045595 0.008591 0.016875 0.011026 -0.010489 0.012664 0Rh 3py -0.003861 0.001626 0.015085 0.009596 0.008297 -0.016904 0Rh 4pz -0.006691 0.019893 -0.002429 0.035308 -0.018917 -0.050968 0Rh 4px -0.041813 0.005643 -0.007918 -0.045332 -0.007736 0.025345 0Rh 4py -0.010218 0.012982 0.017317 0.006552 0.051462 -0.033456 0Rh 5pz 0.023622 0.097106 0.005089 -0.030608 -0.023029 0.050435 0Rh 5px -0.055653 0.020621 0.025614 0.088225 -0.007146 0.016460 0Rh 5py 0.004477 -0.013620 0.003950 0.009765 -0.055979 0.018919 0Rh 6pz 0.128879 -1.738548 -0.114597 0.175983 0.660823 -0.061971 0Rh 6px 0.561193 -0.518500 0.035991 -0.779063 0.225869 -0.411869 0Rh 6py -0.076384 -0.092590 -0.174151 -0.208716 0.014645 0.077622 0Rh 1dz2 -0.000916 0.008545 -0.001119 -0.006760 -0.004506 -0.002773 0Rh 1dxz 0.006933 -0.014343 0.001680 -0.002482 0.006535 0.008714 0Rh 1dyz 0.003349 -0.006059 0.001918 0.007858 0.003242 -0.003943 0Rh 1dx2y2 0.000048 -0.005842 0.000786 0.001649 0.006877 -0.000092 0Rh 1dxy -0.005470 -0.004634 -0.007694 -0.012014 -0.008857 0.010161 0Rh 2dz2 0.000248 -0.001369 0.000513 0.001179 0.000322 0.000210 0Rh 2dxz -0.000691 0.001335 0.000427 0.001658 -0.001034 -0.002029 0Rh 2dyz -0.000092 -0.000633 -0.000381 -0.000212 -0.000589 -0.000000 0Rh 2dx2y2 -0.000216 0.000328 -0.001083 -0.002015 -0.000848 0.000613 0Rh 2dxy 0.000221 -0.000058 0.000565 0.000119 0.001658 -0.001799 0Rh 3dz2 0.000606 -0.010033 -0.000090 0.007511 0.006940 0.004237 0Rh 3dxz -0.009906 0.020864 -0.004893 -0.002439 -0.007772 -0.007680 0Rh 3dyz -0.005758 0.013753 -0.001960 -0.013629 -0.003556 0.007305 0Rh 3dx2y2 0.000867 0.009370 0.003111 0.005540 -0.009179 -0.002405 0Rh 3dxy 0.009152 0.008754 0.011856 0.021716 0.009480 -0.011316 0Rh 4dz2 0.005483 -0.028761 0.008271 0.024548 0.010094 0.005997 0Rh 4dxz -0.016558 0.034801 0.003756 0.027118 -0.021737 -0.038118 0Rh 4dyz -0.005157 -0.002611 -0.007818 -0.012115 -0.011603 0.003938 0Rh 4dx2y2 -0.004625 0.010899 -0.016171 -0.031624 -0.019381 0.009030 0Rh 4dxy 0.009037 0.004341 0.016792 0.015916 0.032879 -0.036484 0Rh 5dz2 -0.032573 0.033032 -0.023613 -0.042759 0.000527 0.007828 0Rh 5dxz -0.019807 -0.000018 -0.029322 -0.114234 0.030810 0.098597 0Rh 5dyz -0.014371 0.081055 0.019901 -0.023485 0.017176 0.032953 0Rh 5dx2y2 0.054170 0.020601 0.064513 0.145617 0.012601 -0.056572 0Rh 5dxy 0.028371 0.032172 -0.001597 0.049373 -0.060940 0.063637 0Rh 1f0 0.001237 -0.005027 -0.000715 0.002034 -0.002563 -0.002608 0Rh 1f+1 -0.001171 -0.001259 0.000220 -0.002050 0.000846 0.000662 0Rh 1f-1 0.001264 0.001621 0.001982 0.001035 -0.005217 0.003452 0Rh 1f+2 -0.001511 -0.005178 0.000995 -0.003086 -0.002658 -0.002860 0Rh 1f-2 -0.000274 0.003434 0.001697 0.000536 -0.003701 -0.000052 0Rh 1f+3 -0.001000 0.001491 0.001610 -0.002212 0.001579 0.002889 0Rh 1f-3 -0.000751 -0.002607 0.001076 -0.000129 -0.000795 0.000460 1Rh 1s 0.003208 0.000204 0.001714 -0.003812 -0.000656 -0.000941 1Rh 2s -0.012097 -0.001001 -0.007156 0.009890 0.002928 0.003478 1Rh 3s 0.011187 0.000569 0.005548 -0.016078 -0.002006 -0.003324 1Rh 4s 0.053536 0.004544 0.031990 -0.041809 -0.013182 -0.015366 1Rh 5s -0.042321 -0.005658 -0.030329 -0.004579 0.014190 0.011370 1Rh 6s -0.105315 -0.000430 -0.046868 0.229112 0.011675 0.034226 1Rh 7s 0.575507 -0.039133 0.026608 -0.914358 0.028464 -0.313022 1Rh 8s -0.177962 0.082012 0.469816 -0.690231 -0.145773 0.143177 1Rh 1pz -0.000922 -0.012401 0.001222 0.004494 0.006022 0.005890 1Rh 1px 0.013271 -0.002430 -0.003176 0.000019 0.002813 -0.004434 1Rh 1py 0.000253 -0.000813 -0.004413 0.002632 -0.005114 0.005050 1Rh 2pz 0.003282 0.043196 -0.004263 -0.015294 -0.020850 -0.019922 1Rh 2px -0.045901 0.008400 0.011284 -0.000704 -0.009772 0.015124 1Rh 2py -0.000895 0.002742 0.015256 -0.009142 0.017238 -0.017320 1Rh 3pz -0.005151 -0.048425 0.004694 0.010285 0.020794 0.010915 1Rh 3px 0.045592 -0.008246 -0.016368 0.012702 0.010262 -0.011163 1Rh 3py 0.001312 -0.001383 -0.014742 0.009668 -0.008196 0.014019 1Rh 4pz 0.004818 -0.019293 0.003721 0.033592 0.019900 0.053745 1Rh 4px 0.042489 -0.007535 0.005871 -0.044809 0.008285 -0.026606 1Rh 4py -0.000882 -0.007820 -0.016997 0.006654 -0.051755 0.030255 1Rh 5pz -0.022031 -0.098124 -0.005926 -0.024778 0.022571 -0.051735 1Rh 5px 0.055527 -0.017624 -0.021666 0.091340 0.006021 -0.011171 1Rh 5py 0.005191 0.006564 -0.003814 0.009861 0.056645 -0.020861 1Rh 6pz -0.133741 1.744104 0.116114 0.105372 -0.665462 0.068573 1Rh 6px -0.600186 0.511785 -0.069180 -0.813136 -0.210708 0.353772 1Rh 6py 0.010083 0.155067 0.168751 -0.210047 -0.020012 -0.047497 1Rh 1dz2 -0.001415 0.008745 -0.000869 0.006780 -0.004044 -0.002461 1Rh 1dxz 0.008535 -0.014588 0.001925 0.002241 0.006617 0.008383 1Rh 1dyz 0.001829 -0.005514 0.001603 -0.007678 0.003035 -0.004233 1Rh 1dx2y2 -0.001725 -0.004887 0.000804 -0.001630 0.006775 -0.000168 1Rh 1dxy -0.000303 -0.006773 -0.007187 0.012150 -0.008832 0.010091 1Rh 2dz2 0.000316 -0.001401 0.000464 -0.001180 0.000324 0.000167 1Rh 2dxz -0.000673 0.001283 0.000356 -0.001645 -0.001034 -0.002099 1Rh 2dyz -0.000030 -0.000671 -0.000372 0.000230 -0.000586 -0.000001 1Rh 2dx2y2 -0.000264 0.000402 -0.000992 0.002019 -0.000842 0.000672 1Rh 2dxy -0.000005 0.000073 0.000561 -0.000094 0.001658 -0.001705 1Rh 3dz2 0.001236 -0.010263 -0.000344 -0.007542 0.006080 0.003843 1Rh 3dxz -0.012925 0.021536 -0.005041 0.002827 -0.007920 -0.006773 1Rh 3dyz -0.003225 0.012905 -0.001415 0.013221 -0.003189 0.007846 1Rh 3dx2y2 0.004318 0.007302 0.002695 -0.005591 -0.009021 -0.002521 1Rh 3dxy 0.000602 0.012144 0.010939 -0.022073 0.009431 -0.011582 1Rh 4dz2 0.007062 -0.029520 0.007278 -0.024579 0.009544 0.005016 1Rh 4dxz -0.018221 0.034318 0.002421 -0.026596 -0.021859 -0.038760 1Rh 4dyz -0.002471 -0.003760 -0.007337 0.012222 -0.011308 0.004208 1Rh 4dx2y2 -0.003186 0.010830 -0.014880 0.031669 -0.019148 0.010017 1Rh 4dxy -0.000270 0.008667 0.016125 -0.015722 0.032856 -0.035085 1Rh 5dz2 -0.034572 0.034817 -0.021576 0.042583 -0.001292 0.009098 1Rh 5dxz -0.028930 0.005136 -0.025156 0.112919 0.031211 0.105935 1Rh 5dyz -0.010670 0.080319 0.021022 0.020360 0.017912 0.035249 1Rh 5dx2y2 0.066283 0.010472 0.057813 -0.145548 0.011690 -0.060849 1Rh 5dxy 0.016094 0.035454 -0.003548 -0.051591 -0.061480 0.057016 1Rh 1f0 -0.001776 0.005268 0.000798 0.001672 0.002575 0.002436 1Rh 1f+1 0.001135 0.001171 -0.000270 -0.002268 -0.000868 -0.000908 1Rh 1f-1 -0.001955 -0.001454 -0.001939 0.001341 0.005220 -0.003555 1Rh 1f+2 0.001599 0.005100 -0.001169 -0.003207 0.002636 0.002607 1Rh 1f-2 -0.000209 -0.003288 -0.001656 0.000614 0.003681 -0.000049 1Rh 1f+3 0.001417 -0.001715 -0.001677 -0.002022 -0.001531 -0.002956 1Rh 1f-3 0.000701 0.002614 -0.001090 -0.000096 0.000798 -0.000502 2C 1s -0.002488 -0.017098 0.007462 0.001658 -0.009612 -0.007672 2C 2s -0.005954 -0.037620 0.019747 0.007224 -0.019264 -0.016597 2C 3s 0.019028 0.044897 -0.138748 -0.135974 -0.044038 0.007211 2C 4s 0.028381 0.450160 0.513729 0.759430 0.652038 0.278606 2C 5s -2.563556 -0.347246 -1.503181 -2.067623 -1.982973 0.079237 2C 1pz 0.009665 0.094143 -0.124668 -0.089227 0.006793 0.044112 2C 1px -0.026977 0.026686 -0.035855 -0.007120 0.014310 -0.043717 2C 1py 0.010236 0.049746 -0.083939 -0.047765 -0.012689 -0.001212 2C 2pz 0.019351 0.038622 -0.085028 -0.058629 -0.010978 0.143452 2C 2px -0.153718 0.109211 -0.067857 0.044638 0.055148 -0.329154 2C 2py -0.003334 0.004222 -0.058126 0.022496 -0.065685 -0.059209 2C 3pz -0.853764 -0.246973 0.569412 0.517390 0.072524 -0.139062 2C 3px -0.264323 0.346986 0.111521 0.064462 -0.342497 0.609313 2C 3py -0.650684 -0.032745 0.438792 0.472873 0.113158 0.269695 2C 1dz2 0.000375 -0.000120 0.001234 0.001190 -0.000059 0.003938 2C 1dxz -0.003439 0.002411 -0.000180 0.000290 0.003172 -0.006673 2C 1dyz 0.002266 -0.002018 0.001966 0.000693 -0.000536 0.002131 2C 1dx2y2 0.002223 -0.002018 0.000543 -0.000301 0.001206 0.003138 2C 1dxy -0.000781 -0.000166 0.000482 0.001560 0.000251 -0.005311 2C 2dz2 0.000218 -0.075535 0.086227 0.066096 -0.016379 0.018928 2C 2dxz -0.009945 -0.026729 0.046966 0.045953 0.021059 -0.024421 2C 2dyz -0.006364 -0.088462 0.119440 0.095676 -0.019444 -0.047257 2C 2dx2y2 -0.004506 0.039067 -0.039581 -0.008462 0.011599 -0.022255 2C 2dxy 0.003354 -0.013343 0.024912 0.021466 0.021132 -0.028188 2C 1f0 -0.002246 0.000411 0.002506 0.004555 0.000812 -0.003742 2C 1f+1 -0.001283 0.000844 0.003084 0.002469 0.000768 -0.003202 2C 1f-1 0.002271 -0.008853 0.013214 0.011092 0.001843 0.002506 2C 1f+2 0.002679 -0.002005 -0.007409 -0.009014 -0.004994 0.002776 2C 1f-2 -0.001067 0.002618 0.007070 0.008161 0.005866 0.002163 2C 1f+3 0.001169 -0.006662 -0.000070 -0.001773 -0.005164 -0.004177 2C 1f-3 -0.002099 0.000943 -0.000145 0.000208 -0.000827 -0.005908 3C 1s -0.005051 0.017543 0.013015 0.000013 0.000355 -0.001646 3C 2s -0.011375 0.037047 0.032833 -0.000480 -0.000689 -0.001295 3C 3s 0.015778 0.005371 -0.188584 0.014146 0.051035 -0.087103 3C 4s 0.152140 -0.745601 0.593854 -0.084689 -0.314625 0.603655 3C 5s -2.306731 0.525722 -1.669495 0.865675 1.708242 -1.516296 3C 1pz 0.035591 -0.020346 -0.083121 -0.002716 0.031670 -0.015243 3C 1px 0.001308 -0.038602 -0.077383 0.006503 -0.044087 -0.026050 3C 1py -0.006789 0.063664 0.178321 -0.015869 -0.054978 0.066154 3C 2pz 0.103340 0.024373 0.030810 -0.016329 0.140236 0.064198 3C 2px -0.047546 -0.067728 -0.110280 0.015144 -0.370057 -0.040819 3C 2py 0.023380 0.033254 0.108622 -0.050307 -0.157490 0.071497 3C 3pz -0.481554 -0.109727 0.519294 0.121382 -0.061221 0.166564 3C 3px -0.370468 -0.168835 0.308021 -0.065912 0.557225 0.355364 3C 3py 0.746976 0.246701 -0.834435 0.030946 0.219509 -0.362910 3C 1dz2 -0.000114 0.000294 -0.000935 -0.000300 0.001918 -0.000713 3C 1dxz -0.000754 -0.002264 -0.000942 -0.001149 -0.008292 0.000347 3C 1dyz -0.002945 -0.002224 -0.004400 -0.000394 -0.004376 -0.002017 3C 1dx2y2 0.001314 0.000800 -0.000937 -0.000891 -0.003492 -0.000686 3C 1dxy 0.001056 0.000537 -0.000123 -0.000728 0.005331 0.000428 3C 2dz2 -0.002076 -0.021354 -0.040461 -0.010554 0.014615 -0.013288 3C 2dxz -0.010383 0.038665 0.067667 0.004127 -0.002171 0.009062 3C 2dyz 0.008104 -0.058331 -0.148498 0.016879 0.026501 -0.046504 3C 2dx2y2 0.007358 -0.043089 -0.130349 0.006179 -0.028210 -0.065417 3C 2dxy 0.011428 -0.037338 -0.108948 -0.008077 0.069449 -0.027337 3C 1f0 -0.001378 -0.007697 -0.010804 0.000789 0.001169 -0.003778 3C 1f+1 -0.001681 -0.003384 -0.001787 -0.000142 -0.006872 0.000093 3C 1f-1 0.000478 -0.004420 -0.000044 0.000007 -0.003199 0.003228 3C 1f+2 -0.000386 0.005173 -0.014478 0.001504 0.001281 -0.009639 3C 1f-2 0.001272 0.003972 -0.010427 0.000944 0.008551 -0.006507 3C 1f+3 -0.000406 0.003189 0.010489 -0.000102 -0.000042 0.002520 3C 1f-3 0.000732 -0.000358 -0.002769 0.000241 0.005378 -0.001300 4C 1s 0.031871 0.006474 -0.017575 -0.012634 -0.005307 -0.004004 4C 2s 0.067934 0.016480 -0.040856 -0.028930 -0.011323 -0.007247 4C 3s -0.020707 -0.203004 0.159177 0.134220 0.015946 -0.091016 4C 4s -1.234940 1.148704 -0.264458 -0.288810 0.131287 0.741803 4C 5s 2.850745 0.844001 -0.808435 -0.959872 0.196565 -0.372488 4C 1pz -0.057609 0.047596 -0.096327 -0.073179 0.004985 0.084384 4C 1px -0.062687 0.087385 -0.021343 0.016912 0.029417 -0.173965 4C 1py -0.075144 0.063434 -0.061388 -0.040249 0.047503 0.012486 4C 2pz -0.128854 0.128137 -0.003456 -0.023525 -0.032387 0.092951 4C 2px -0.019763 0.108955 -0.046100 -0.096820 0.022597 0.059370 4C 2py -0.126445 0.114673 0.012485 0.005344 0.098754 0.157252 4C 3pz -1.662605 1.295061 -0.105544 0.123960 -0.045377 0.414009 4C 3px 0.180058 -1.037559 0.010498 -0.371306 0.440626 0.842824 4C 3py -0.815072 0.454533 -0.169210 -0.238182 -0.178267 0.288268 4C 1dz2 -0.008226 0.005285 -0.005586 -0.000187 0.003316 -0.007935 4C 1dxz -0.001169 -0.006676 -0.001545 -0.003915 -0.002673 0.018085 4C 1dyz -0.004146 0.012440 -0.009993 -0.003730 0.001725 0.003424 4C 1dx2y2 0.010392 0.005887 0.001240 0.001150 -0.004261 -0.000478 4C 1dxy 0.007838 0.000299 -0.002891 -0.004728 -0.001892 0.014896 4C 2dz2 -0.036370 0.010491 -0.061419 -0.041380 -0.006620 -0.115911 4C 2dxz -0.001855 -0.073389 -0.029496 -0.078973 -0.000978 0.131059 4C 2dyz 0.016415 0.118246 -0.104253 -0.110948 0.020973 0.046966 4C 2dx2y2 0.066720 0.115565 0.000982 -0.035454 -0.021815 0.068821 4C 2dxy 0.053864 0.070301 -0.031246 -0.049491 -0.037931 0.131524 4C 1f0 -0.000019 -0.007095 0.002952 0.002590 -0.000907 -0.004716 4C 1f+1 -0.000524 -0.019178 0.004774 0.006140 0.001901 -0.006251 4C 1f-1 -0.003524 -0.006095 0.009876 0.009365 0.001725 -0.006445 4C 1f+2 0.000227 0.014745 -0.007075 -0.006149 -0.000480 0.000384 4C 1f-2 0.000221 -0.003025 0.002554 0.001530 -0.001914 0.004968 4C 1f+3 -0.001652 -0.000871 0.001861 0.004927 0.000851 -0.005347 4C 1f-3 -0.001474 -0.016126 0.003503 0.007638 0.001584 -0.014700 5C 1s 0.032421 0.006962 -0.021203 0.004965 0.005687 -0.010403 5C 2s 0.069425 0.013386 -0.049492 0.011144 0.013156 -0.022538 5C 3s -0.040241 0.132884 0.222930 -0.039457 -0.070296 0.018277 5C 4s -1.101880 -1.264601 -0.523245 0.034841 0.172700 0.355668 5C 5s 2.700946 -0.022174 -1.362926 0.102052 -0.222606 -0.618017 5C 1pz -0.046016 -0.056786 -0.069188 -0.005403 0.097872 -0.018939 5C 1px -0.062117 -0.028287 -0.096973 0.021351 -0.184758 -0.022936 5C 1py 0.056266 0.085705 0.137946 0.009904 -0.047543 0.044560 5C 2pz -0.114956 -0.120008 -0.010014 0.056144 0.112362 0.117002 5C 2px -0.061338 -0.078686 0.046413 -0.043938 -0.057005 -0.035845 5C 2py 0.114435 0.176214 0.046159 0.004151 -0.007667 -0.072094 5C 3pz -0.680743 -0.686627 -0.380479 0.264157 -0.217527 -0.046935 5C 3px -0.005702 -0.749212 0.310567 -0.147376 1.090305 -0.229246 5C 3py 1.142352 1.248748 0.232268 -0.519092 -0.456160 -0.153716 5C 1dz2 -0.006681 0.001610 0.001788 0.001037 -0.006924 -0.000686 5C 1dxz -0.005505 0.002504 -0.000483 0.000838 0.011370 -0.000450 5C 1dyz 0.000961 0.009658 0.014258 -0.002254 0.005644 0.001746 5C 1dx2y2 0.010490 0.003012 0.007806 -0.001553 0.009892 0.001625 5C 1dxy 0.000292 0.005931 0.002782 0.001743 -0.019666 0.000039 5C 2dz2 -0.071123 0.065589 0.038073 0.019495 -0.046329 0.010275 5C 2dxz -0.038022 0.039141 0.003075 -0.056589 0.024256 -0.033828 5C 2dyz -0.024770 0.107245 0.186038 -0.033234 0.016728 0.037399 5C 2dx2y2 0.076289 -0.055375 0.103108 0.006940 0.103246 0.052497 5C 2dxy 0.000742 -0.002860 0.036960 0.025442 -0.146353 0.062582 5C 1f0 0.000931 0.006301 -0.003850 -0.002025 0.004435 -0.004734 5C 1f+1 -0.001261 0.008915 0.002058 -0.000360 -0.007289 -0.001976 5C 1f-1 0.001125 -0.001158 -0.000805 -0.001947 0.001955 -0.001937 5C 1f+2 0.001740 -0.003769 -0.009427 0.001129 0.002178 -0.002494 5C 1f-2 0.001339 -0.010551 -0.014848 0.004595 -0.002697 0.000203 5C 1f+3 -0.003103 0.010590 0.010325 0.000891 -0.005920 0.000599 5C 1f-3 0.002789 -0.014490 -0.008310 0.001972 0.006137 0.001110 6C 1s 0.031267 0.007852 -0.021261 -0.003697 0.005460 -0.008814 6C 2s 0.067023 0.015252 -0.049644 -0.008221 0.012674 -0.018925 6C 3s -0.047812 0.136355 0.224803 0.027559 -0.070492 0.003896 6C 4s -1.007164 -1.321329 -0.533739 -0.013977 0.183401 0.373618 6C 5s 2.933126 -0.122471 -1.374964 0.002161 -0.200411 -0.436516 6C 1pz 0.044828 0.057812 0.068949 -0.010656 -0.097424 0.008829 6C 1px 0.059079 0.030228 0.098231 0.015049 0.181930 0.015829 6C 1py -0.049093 -0.089484 -0.137596 0.019892 0.047109 -0.029377 6C 2pz 0.112460 0.125866 0.015523 0.059575 -0.116507 -0.118240 6C 2px 0.062665 0.079257 -0.051368 -0.049250 0.056441 0.041598 6C 2py -0.080598 -0.194722 -0.048389 0.003841 0.011204 0.070051 6C 3pz 0.783756 0.622336 0.384924 0.249281 0.227711 0.077013 6C 3px 0.037339 0.708852 -0.322197 -0.157312 -1.063025 0.239946 6C 3py -1.428095 -1.096399 -0.247472 -0.505488 0.443896 0.124609 6C 1dz2 -0.006880 0.001793 0.001760 -0.001060 -0.006779 -0.000433 6C 1dxz -0.006421 0.002932 -0.000428 -0.000772 0.010995 -0.000108 6C 1dyz 0.000482 0.009906 0.014470 0.001506 0.005425 0.001175 6C 1dx2y2 0.011213 0.002603 0.007903 0.001008 0.009655 0.000733 6C 1dxy 0.001105 0.005539 0.002581 -0.002134 -0.019330 -0.000199 6C 2dz2 -0.079244 0.067224 0.036681 -0.022354 -0.047081 0.008271 6C 2dxz -0.038519 0.039996 0.006408 0.058306 0.025061 -0.025724 6C 2dyz -0.030795 0.110112 0.188229 0.022195 0.016117 0.018280 6C 2dx2y2 0.062263 -0.048515 0.103021 -0.013216 0.103583 0.035775 6C 2dxy -0.003231 -0.000632 0.034841 -0.030907 -0.142531 0.052539 6C 1f0 -0.000679 -0.006427 0.003633 -0.002403 -0.004198 0.003953 6C 1f+1 0.001604 -0.009122 -0.002066 -0.000242 0.007257 0.001835 6C 1f-1 -0.001508 0.001248 0.000665 -0.002080 -0.001910 0.001811 6C 1f+2 -0.002210 0.003952 0.009504 0.000553 -0.002221 0.001417 6C 1f-2 -0.002599 0.011187 0.015177 0.003919 0.002591 -0.001192 6C 1f+3 0.003955 -0.010946 -0.010257 0.001507 0.005992 0.000151 6C 1f-3 -0.003862 0.015040 0.008458 0.001517 -0.006234 -0.001485 7C 1s 0.033526 0.005821 -0.016986 0.013219 -0.005374 -0.004205 7C 2s 0.071475 0.015116 -0.039530 0.030228 -0.011454 -0.007625 7C 3s -0.017710 -0.205889 0.154041 -0.134425 0.015715 -0.094638 7C 4s -1.319062 1.192693 -0.257512 0.264189 0.135818 0.774354 7C 5s 2.635320 0.916972 -0.776123 0.996016 0.228768 -0.387163 7C 1pz 0.061116 -0.049504 0.094104 -0.073530 -0.005733 -0.085704 7C 1px 0.061828 -0.085876 0.022381 0.013038 -0.031763 0.176378 7C 1py 0.079533 -0.065687 0.060111 -0.041035 -0.049110 -0.013304 7C 2pz 0.143573 -0.133303 0.003024 -0.019939 0.032994 -0.095125 7C 2px 0.029848 -0.118224 0.044921 -0.097931 -0.027831 -0.066874 7C 2py 0.160745 -0.132051 -0.012054 0.009503 -0.099360 -0.164736 7C 3pz 1.459036 -1.216183 0.102713 0.149133 0.058194 -0.411417 7C 3px -0.247073 1.056367 -0.035771 -0.368331 -0.423475 -0.864779 7C 3py 0.587998 -0.357587 0.156299 -0.232591 0.184222 -0.280623 7C 1dz2 -0.007525 0.004828 -0.005546 0.000506 0.003454 -0.008203 7C 1dxz -0.001143 -0.006567 -0.001436 0.003657 -0.002926 0.018321 7C 1dyz -0.003850 0.012456 -0.009898 0.003891 0.001830 0.003621 7C 1dx2y2 0.009387 0.006294 0.001193 -0.001245 -0.004421 -0.000330 7C 1dxy 0.007102 0.000840 -0.002731 0.004574 -0.002020 0.015330 7C 2dz2 -0.032027 0.005405 -0.059621 0.044399 -0.006425 -0.118011 7C 2dxz -0.004284 -0.070447 -0.026587 0.076036 0.001230 0.133814 7C 2dyz 0.006319 0.123861 -0.100360 0.110444 0.022398 0.047276 7C 2dx2y2 0.074913 0.112764 0.003106 0.032468 -0.021932 0.071847 7C 2dxy 0.050564 0.072504 -0.029806 0.047287 -0.039246 0.136639 7C 1f0 -0.000550 0.007347 -0.002785 0.002447 0.000927 0.004785 7C 1f+1 -0.000343 0.019549 -0.004538 0.005918 -0.001948 0.006611 7C 1f-1 0.003017 0.006384 -0.009555 0.009398 -0.001690 0.006703 7C 1f+2 0.000049 -0.014809 0.006851 -0.006206 0.000470 -0.000480 7C 1f-2 -0.000393 0.003062 -0.002449 0.001618 0.001916 -0.005042 7C 1f+3 0.001511 0.001072 -0.001693 0.004780 -0.000696 0.005521 7C 1f-3 0.000372 0.016899 -0.003288 0.007298 -0.001529 0.015386 8C 1s -0.006090 0.018150 0.013288 -0.000967 0.000031 -0.002100 8C 2s -0.013517 0.038253 0.033395 -0.001862 -0.001299 -0.002920 8C 3s 0.016643 0.006599 -0.187594 -0.002452 0.048403 -0.062503 8C 4s 0.190627 -0.779203 0.576787 0.053224 -0.284522 0.469403 8C 5s -2.838462 0.852687 -1.634803 -0.777968 1.589394 -1.216333 8C 1pz -0.037414 0.020820 0.082939 -0.007708 -0.031265 0.009081 8C 1px -0.001695 0.038729 0.077898 0.001332 0.042445 0.019302 8C 1py 0.006842 -0.063110 -0.178503 -0.004218 0.053766 -0.049493 8C 2pz -0.091988 -0.029863 -0.031695 -0.013187 -0.139204 -0.053310 8C 2px 0.050644 0.065499 0.111905 0.007875 0.360221 0.035139 8C 2py -0.041496 -0.023963 -0.108627 -0.043396 0.153465 -0.066004 8C 3pz 0.569494 0.071518 -0.513187 0.148973 0.057526 -0.126874 8C 3px 0.441398 0.141828 -0.312067 -0.036738 -0.547101 -0.298102 8C 3py -0.805824 -0.212180 0.834989 -0.025586 -0.221284 0.235107 8C 1dz2 0.000171 0.000132 -0.000918 0.000365 0.001765 -0.000664 8C 1dxz -0.000480 -0.002306 -0.000917 0.001190 -0.008069 0.000372 8C 1dyz -0.002549 -0.002401 -0.004410 0.000672 -0.004351 -0.001511 8C 1dx2y2 0.001776 0.000602 -0.000908 0.000964 -0.003344 -0.000528 8C 1dxy 0.001014 0.000539 -0.000036 0.000755 0.005296 0.000489 8C 2dz2 0.001282 -0.022257 -0.039651 0.013095 0.014622 -0.009102 8C 2dxz -0.011750 0.038946 0.067491 -0.008591 -0.002949 0.002603 8C 2dyz 0.010529 -0.059412 -0.149170 -0.006656 0.026917 -0.030632 8C 2dx2y2 0.013553 -0.045660 -0.130503 0.003030 -0.028687 -0.052866 8C 2dxy 0.014052 -0.038240 -0.108596 0.014495 0.067275 -0.015743 8C 1f0 0.001044 0.007895 0.010887 0.000038 -0.000947 0.002791 8C 1f+1 0.001549 0.003241 0.001846 -0.000231 0.006682 -0.000065 8C 1f-1 -0.000709 0.004520 0.000141 -0.000004 0.002928 -0.002868 8C 1f+2 0.000505 -0.005357 0.014275 0.000608 -0.001042 0.007448 8C 1f-2 -0.001169 -0.004239 0.010327 0.000306 -0.008247 0.004967 8C 1f+3 0.000506 -0.003218 -0.010425 0.000548 0.000174 -0.001342 8C 1f-3 -0.000657 0.000291 0.002787 0.000026 -0.005375 0.001047 9C 1s -0.001325 -0.017640 0.007505 -0.001772 -0.009914 -0.007978 9C 2s -0.003725 -0.038677 0.019678 -0.007505 -0.019896 -0.017253 9C 3s 0.024227 0.042907 -0.133108 0.137416 -0.044244 0.007266 9C 4s -0.051319 0.485572 0.477382 -0.762162 0.665677 0.291786 9C 5s -1.922018 -0.611018 -1.388882 2.040141 -2.051541 0.040278 9C 1pz -0.011637 -0.094294 0.120742 -0.090321 -0.007931 -0.045282 9C 1px 0.027600 -0.026677 0.035409 -0.009172 -0.016261 0.044797 9C 1py -0.012069 -0.048913 0.083311 -0.050804 0.013008 0.001389 9C 2pz -0.035683 -0.035302 0.080606 -0.056857 0.010801 -0.146635 9C 2px 0.150497 -0.106233 0.069738 0.034093 -0.064620 0.335780 9C 2py -0.006628 0.002013 0.061655 0.015675 0.070445 0.062625 9C 3pz 0.737896 0.300276 -0.549669 0.522057 -0.064999 0.147260 9C 3px 0.241434 -0.346185 -0.103982 0.083273 0.354436 -0.625065 9C 3py 0.654808 0.022302 -0.427062 0.497034 -0.105693 -0.283195 9C 1dz2 0.000168 0.000032 0.001199 -0.001303 -0.000102 0.003977 9C 1dxz -0.003101 0.002300 -0.000166 -0.000182 0.003341 -0.006848 9C 1dyz 0.002605 -0.002158 0.001942 -0.000762 -0.000573 0.002119 9C 1dx2y2 0.001912 -0.001817 0.000572 0.000229 0.001239 0.003174 9C 1dxy -0.000573 -0.000348 0.000426 -0.001412 0.000222 -0.005252 9C 2dz2 -0.002170 -0.073834 0.083167 -0.067205 -0.018341 0.019384 9C 2dxz -0.010129 -0.027122 0.045134 -0.046288 0.020606 -0.024541 9C 2dyz -0.003554 -0.090605 0.116400 -0.097094 -0.020312 -0.047987 9C 2dx2y2 -0.006448 0.039953 -0.039914 0.010238 0.011925 -0.022027 9C 2dxy 0.003774 -0.013506 0.024456 -0.022191 0.022374 -0.029676 9C 1f0 0.002353 -0.000405 -0.002189 0.004315 -0.000745 0.003680 9C 1f+1 0.001180 -0.000888 -0.002962 0.002531 -0.000941 0.003408 9C 1f-1 -0.001878 0.008736 -0.012756 0.011287 -0.001685 -0.002474 9C 1f+2 -0.003193 0.002309 0.007177 -0.009205 0.005319 -0.002637 9C 1f-2 0.001569 -0.002733 -0.006679 0.008209 -0.005828 -0.002367 9C 1f+3 -0.001547 0.006832 -0.000101 -0.001776 0.005266 0.004030 9C 1f-3 0.001858 -0.000594 0.000192 -0.000048 0.000963 0.006228 10H 1s 0.015389 -0.019463 0.006309 -0.002158 -0.014959 0.037529 10H 2s 0.257461 -0.267955 0.072325 -0.051170 -0.125680 0.430101 10H 3s -0.276193 0.279677 0.533099 0.899556 0.828418 -1.083181 10H 1pz 0.007186 -0.008085 -0.005133 -0.009537 -0.001770 0.009999 10H 1px -0.012372 0.015209 0.000786 0.010015 0.011180 -0.022271 10H 1py 0.001931 -0.002945 -0.002349 -0.000514 -0.001583 0.001360 11H 1s -0.018204 0.005865 -0.001147 0.003773 0.009529 -0.014257 11H 2s -0.119386 0.047475 -0.040273 -0.017668 0.033137 -0.208573 11H 3s 0.085243 0.093543 0.580570 0.661659 0.312884 0.539468 11H 1pz 0.003252 -0.001934 -0.009228 -0.012746 -0.008197 -0.007488 11H 1px -0.004395 0.001147 -0.007961 -0.008131 -0.006225 -0.011483 11H 1py 0.001467 0.002756 0.000445 0.002452 -0.002923 0.002993 12H 1s -0.014271 -0.000616 -0.001935 0.007461 -0.007356 -0.036114 12H 2s -0.112198 -0.025817 -0.019549 0.094129 -0.096961 -0.385387 12H 3s 0.088452 0.153027 0.611871 0.695932 0.444800 0.953135 12H 1pz 0.001881 0.003918 -0.001002 -0.000635 0.003845 0.011055 12H 1px -0.006143 0.002965 -0.005633 -0.003771 -0.005152 -0.011003 12H 1py -0.001500 -0.005258 -0.007367 -0.004712 -0.009314 -0.013314 13H 1s 0.006999 0.019089 0.016632 -0.001827 0.047171 0.004957 13H 2s 0.141121 0.246181 0.201211 0.004625 0.551959 0.028740 13H 3s -0.146482 -0.436240 0.493243 -0.032501 -1.587911 0.380782 13H 1pz 0.006335 0.009930 0.000452 0.002133 0.020889 -0.002123 13H 1px -0.003768 -0.014751 -0.004020 -0.002163 -0.026663 0.002866 13H 1py -0.001650 -0.002762 0.005528 -0.002858 -0.011106 0.006443 14H 1s -0.004620 0.000823 -0.000435 -0.005052 -0.041234 -0.000960 14H 2s -0.005809 0.035715 -0.010739 -0.053438 -0.424975 0.020612 14H 3s 0.051495 -0.496861 0.816776 -0.175784 0.645663 0.617359 14H 1pz 0.002877 0.006649 -0.003183 0.001141 -0.000715 -0.001154 14H 1px -0.002062 0.004656 -0.011144 -0.001674 -0.015624 -0.005092 14H 1py 0.001451 0.001274 0.003998 -0.001223 -0.009345 0.000281 15H 1s -0.020166 -0.003172 -0.006006 0.004585 -0.006443 -0.006833 15H 2s -0.156232 0.017554 -0.096476 0.028453 -0.105574 -0.141981 15H 3s 0.148337 -0.439670 0.820083 -0.280221 -0.111104 0.697462 15H 1pz 0.005983 -0.003994 0.005534 -0.002621 0.000722 0.007209 15H 1px -0.000837 -0.001558 -0.006307 -0.003133 -0.005456 -0.002940 15H 1py 0.000594 -0.010160 0.014101 -0.000770 0.001040 0.014791 16H 1s 0.001115 0.028095 -0.019585 -0.058722 -0.013479 0.028673 16H 2s -0.050816 0.620882 -0.247959 -0.822788 -0.168171 0.470542 16H 3s -0.074367 -0.576943 0.022636 0.323983 0.183061 -0.199484 16H 1pz -0.006490 0.048532 -0.009647 -0.036374 -0.011574 0.023891 16H 1px 0.002152 -0.025052 0.001697 0.014321 0.001300 -0.009659 16H 1py -0.000755 0.011833 -0.008421 -0.024886 0.001187 0.014113 17H 1s 0.003580 -0.012791 -0.023491 -0.062492 0.028650 0.030239 17H 2s 0.026026 -0.365950 -0.362782 -0.868473 0.354291 0.388038 17H 3s -0.163956 0.423054 0.128454 0.284760 -0.227850 -0.061283 17H 1pz 0.001517 0.015568 0.010631 0.017254 -0.010727 -0.008288 17H 1px -0.001843 0.037494 0.018254 0.033815 -0.016336 -0.010065 17H 1py -0.000078 -0.006526 -0.013512 -0.032360 0.009115 0.014239 18H 1s 0.003637 -0.011447 -0.020754 0.063413 0.027905 0.033698 18H 2s 0.019088 -0.339175 -0.322618 0.886700 0.347106 0.431633 18H 3s -0.146882 0.409162 0.113672 -0.300535 -0.222587 -0.075983 18H 1pz -0.001779 -0.015456 -0.010215 0.019006 0.010894 0.009413 18H 1px 0.000854 -0.035892 -0.016575 0.035568 0.016120 0.011589 18H 1py 0.000383 0.004465 0.011658 -0.032159 -0.008584 -0.015558 19H 1s 0.001836 0.029650 -0.017043 0.057159 -0.013945 0.030839 19H 2s -0.052686 0.648554 -0.212896 0.792555 -0.171730 0.502924 19H 3s -0.056839 -0.592854 0.012273 -0.301466 0.182931 -0.218837 19H 1pz 0.007006 -0.049497 0.007996 -0.033525 0.011609 -0.024800 19H 1px -0.003025 0.026199 -0.001284 0.013836 -0.001320 0.010903 19H 1py 0.001181 -0.013914 0.007499 -0.024932 -0.000848 -0.015655 20H 1s -0.021208 -0.002715 -0.006152 -0.004332 -0.006922 -0.006331 20H 2s -0.150996 0.015523 -0.095920 -0.022897 -0.111999 -0.131291 20H 3s 0.218056 -0.486191 0.815919 0.228379 -0.079351 0.538469 20H 1pz -0.006715 0.004495 -0.005503 -0.002348 -0.001105 -0.005995 20H 1px 0.000303 0.001612 0.006216 -0.003459 0.005444 0.002252 20H 1py 0.000497 0.009872 -0.013767 0.000119 -0.001622 -0.012642 21H 1s -0.003688 0.000602 -0.000241 0.005022 -0.040083 -0.001297 21H 2s -0.002140 0.035209 -0.007995 0.052679 -0.410580 0.019575 21H 3s 0.070620 -0.526831 0.808753 0.127587 0.647019 0.486772 21H 1pz -0.001913 -0.007163 0.003128 0.000939 0.000690 0.000306 21H 1px 0.002448 -0.005079 0.010846 -0.002270 0.015172 0.003315 21H 1py -0.002128 -0.001111 -0.003970 -0.000994 0.009172 0.000081 22H 1s 0.005574 0.019594 0.017072 0.000636 0.046134 0.003389 22H 2s 0.129270 0.249424 0.204550 -0.017670 0.540805 0.013974 22H 3s -0.067317 -0.485620 0.474275 0.006928 -1.543470 0.281110 22H 1pz -0.005052 -0.010409 -0.000551 0.002117 -0.020390 0.001314 22H 1px 0.002775 0.015280 0.004267 -0.002472 0.025928 -0.002520 22H 1py 0.001642 0.002879 -0.005549 -0.002472 0.010934 -0.005458 23H 1s -0.012399 -0.001881 -0.002405 -0.006324 -0.007628 -0.036268 23H 2s -0.110047 -0.032053 -0.025691 -0.080379 -0.100833 -0.387733 23H 3s -0.035163 0.220185 0.580338 -0.725090 0.454358 0.973534 23H 1pz -0.000424 -0.004728 0.000885 -0.000308 -0.004057 -0.011292 23H 1px 0.005539 -0.002719 0.005422 -0.004122 0.004937 0.010840 23H 1py 0.001435 0.005484 0.007288 -0.005322 0.009792 0.013607 24H 1s -0.017790 0.005970 -0.001091 -0.003675 0.010354 -0.015144 24H 2s -0.111075 0.047179 -0.038029 0.021126 0.043939 -0.218415 24H 3s 0.022454 0.118627 0.545364 -0.667779 0.306519 0.573226 24H 1pz -0.004746 0.002530 0.008638 -0.012929 0.007897 0.007649 24H 1px 0.003389 -0.000772 0.007665 -0.008583 0.005963 0.011910 24H 1py -0.001121 -0.002806 -0.000080 0.002259 0.003241 -0.003123 25H 1s 0.014955 -0.019017 0.006424 0.001148 -0.015792 0.038289 25H 2s 0.250401 -0.262639 0.075260 0.039196 -0.136015 0.437084 25H 3s -0.351244 0.300877 0.493020 -0.873000 0.857484 -1.099930 25H 1pz -0.008030 0.008424 0.004625 -0.009337 0.002071 -0.010112 25H 1px 0.012654 -0.015215 -0.000277 0.009277 -0.011865 0.022536 25H 1py -0.001539 0.002747 0.002323 -0.000482 0.001727 -0.001118 26O 1s -0.010730 0.007325 0.000224 0.002408 0.003153 -0.005291 26O 2s -0.026259 0.017012 0.001252 0.006184 0.007648 -0.013228 26O 3s 0.042510 -0.008274 -0.013867 -0.017314 -0.011591 0.031496 26O 4s 0.087296 -0.102745 0.033959 -0.032049 -0.038556 0.056555 26O 5s -0.051714 -0.761495 0.145548 0.598791 0.032422 -1.087139 26O 1pz 0.006465 -0.028404 0.016198 -0.017849 0.017988 -0.023106 26O 1px -0.137505 -0.001738 0.002534 0.012375 0.042164 -0.052654 26O 1py -0.046796 -0.045685 0.014237 0.020002 0.009415 -0.061916 26O 2pz -0.015817 0.007976 0.013013 -0.025317 0.032015 0.010360 26O 2px -0.127049 0.065806 0.001115 -0.020216 0.038980 0.034909 26O 2py -0.057126 0.002318 0.011242 0.026960 -0.016424 -0.030168 26O 3pz 0.281656 -0.400041 0.048671 0.024545 -0.007557 -0.220679 26O 3px -0.256212 0.376607 -0.224845 -0.263580 0.056973 0.423370 26O 3py 0.088086 -0.166278 -0.062311 -0.218031 0.171818 0.136638 26O 1dz2 0.002077 -0.002880 0.000398 0.001088 -0.001046 -0.001156 26O 1dxz 0.001860 -0.000533 0.002402 0.002344 -0.000434 -0.004426 26O 1dyz 0.000360 0.002303 0.000904 0.001353 -0.000585 -0.001283 26O 1dx2y2 -0.003578 0.002905 -0.001378 -0.001061 0.000794 0.002718 26O 1dxy -0.001478 0.004261 0.000065 -0.001388 0.000249 -0.000169 26O 2dz2 0.006319 0.009089 -0.002259 -0.012710 0.000061 0.017140 26O 2dxz 0.004807 -0.006853 0.005885 0.009103 -0.000135 -0.019670 26O 2dyz -0.005475 -0.010009 0.007587 0.013362 0.006442 -0.020784 26O 2dx2y2 -0.012506 -0.016547 0.005132 0.011297 0.009478 -0.026560 26O 2dxy -0.010678 -0.017162 0.010454 0.022921 0.003385 -0.045217 26O 1f0 0.000452 -0.000402 0.000754 0.000349 0.000149 -0.000913 26O 1f+1 0.000292 -0.001484 0.000508 0.001337 0.000197 -0.001829 26O 1f-1 0.000174 -0.001679 0.000794 0.000721 0.000048 -0.001550 26O 1f+2 -0.000609 0.001172 -0.000504 -0.000300 0.000309 0.000863 26O 1f-2 -0.000146 -0.000334 -0.000505 -0.000741 0.000215 0.000608 26O 1f+3 -0.000409 -0.000931 -0.000286 -0.000425 0.000389 -0.000661 26O 1f-3 0.000318 -0.001498 0.001047 0.002059 -0.000027 -0.002800 27O 1s -0.010256 -0.001666 -0.004181 0.001828 -0.008860 -0.000344 27O 2s -0.025136 -0.003611 -0.009419 0.004986 -0.021672 -0.000944 27O 3s 0.041646 -0.006012 0.002755 -0.016577 0.037507 0.004257 27O 4s 0.079858 0.024760 0.071875 0.023305 0.106198 -0.015948 27O 5s -0.098342 0.765255 0.084388 -0.118284 -0.808083 0.103588 27O 1pz 0.026915 0.020243 0.033075 -0.017732 -0.028311 0.007224 27O 1px -0.130285 -0.020110 -0.006547 0.003147 -0.101173 0.011033 27O 1py 0.014521 0.001299 -0.026270 0.008502 0.029637 0.015370 27O 2pz 0.020586 0.001962 0.029965 -0.013727 -0.039112 0.018786 27O 2px -0.120115 -0.063712 0.003828 -0.000833 -0.055231 0.025062 27O 2py 0.035156 0.018143 -0.024711 -0.013404 0.013928 0.017048 27O 3pz 0.154997 0.227021 0.113987 -0.029334 0.010208 -0.026433 27O 3px -0.165281 -0.603284 -0.192059 0.009377 0.260715 -0.028103 27O 3py -0.238198 0.065973 -0.092056 0.148762 0.001912 0.010112 27O 1dz2 0.001478 0.001423 0.000725 0.000532 0.001264 -0.000433 27O 1dxz 0.002249 0.002108 0.001399 0.000322 -0.001582 -0.000130 27O 1dyz 0.000107 0.000801 0.000784 -0.000731 -0.000114 0.000214 27O 1dx2y2 -0.003330 -0.005741 -0.001764 -0.000598 0.000503 -0.000763 27O 1dxy -0.001001 -0.001099 -0.001889 0.000678 0.004220 -0.001206 27O 2dz2 0.008797 -0.012601 -0.002936 -0.002033 0.027119 0.005525 27O 2dxz 0.006040 -0.000190 0.004268 0.000408 -0.007297 0.001003 27O 2dyz 0.003180 0.006767 -0.007295 -0.002049 0.015271 -0.000604 27O 2dx2y2 -0.012928 0.015083 -0.002737 -0.003794 -0.027264 0.003765 27O 2dxy 0.003085 -0.019846 -0.008997 -0.006220 0.030269 0.001876 27O 1f0 0.000269 -0.000494 -0.000081 -0.000116 0.000116 0.000372 27O 1f+1 0.000325 0.001471 0.000573 0.000089 -0.001369 0.000057 27O 1f-1 -0.000238 -0.000533 -0.000414 0.000285 0.000701 -0.000433 27O 1f+2 -0.000327 -0.000226 -0.000906 -0.000108 0.000371 -0.000135 27O 1f-2 -0.000383 -0.000567 -0.000222 -0.000323 -0.000277 0.000218 27O 1f+3 0.000069 0.001219 0.000482 0.000174 -0.001180 -0.000365 27O 1f-3 -0.000438 -0.001847 -0.001144 -0.000342 0.001562 -0.000022 28O 1s -0.006940 -0.004862 -0.001788 -0.001888 0.000614 0.009765 28O 2s -0.017427 -0.011926 -0.003939 -0.005120 0.001405 0.023303 28O 3s 0.034505 0.024830 -0.000234 0.015608 -0.000736 -0.027326 28O 4s -0.001826 0.081939 0.027294 -0.030927 -0.014316 -0.153075 28O 5s 0.528984 -1.162076 0.206493 0.144368 0.073156 0.377937 28O 1pz -0.034112 -0.047191 0.029718 0.009743 -0.029730 0.063823 28O 1px 0.088753 0.025961 -0.000051 0.015447 -0.023366 -0.093727 28O 1py 0.010882 0.007029 0.018380 -0.006907 -0.008603 0.018296 28O 2pz -0.052859 -0.020077 0.027760 0.001018 -0.030541 0.073940 28O 2px 0.090436 -0.009281 -0.003845 0.004959 -0.035760 -0.074754 28O 2py 0.004369 0.012123 0.018133 -0.026413 0.007620 0.028149 28O 3pz -0.046272 0.486268 -0.007367 0.018416 -0.130795 -0.087895 28O 3px 0.412762 -0.549527 0.144955 0.135964 0.056784 -0.092265 28O 3py 0.089759 0.119012 0.056898 0.127990 -0.158390 -0.085998 28O 1dz2 0.002459 -0.001211 0.001575 0.000878 0.000158 0.002339 28O 1dxz 0.002030 -0.002143 -0.000428 -0.000818 -0.000040 -0.002246 28O 1dyz 0.001670 -0.001868 0.000460 0.000462 -0.001014 0.000832 28O 1dx2y2 -0.003882 0.003943 -0.001149 -0.001375 0.000157 0.000059 28O 1dxy -0.001707 0.001813 -0.001097 -0.001803 0.001454 0.000122 28O 2dz2 0.009294 -0.012375 0.005863 -0.004770 -0.010810 0.005847 28O 2dxz -0.006041 0.039235 -0.008318 -0.004387 -0.006570 -0.023028 28O 2dyz 0.008422 -0.013073 0.012254 -0.002830 -0.004713 0.013708 28O 2dx2y2 -0.004597 -0.015835 -0.000511 0.001490 -0.000561 0.010251 28O 2dxy -0.007788 0.013651 -0.000395 0.003185 -0.001889 -0.000794 28O 1f0 0.000007 -0.000897 -0.000126 0.000090 0.000255 0.000139 28O 1f+1 0.001175 -0.001778 0.000807 0.000029 -0.000259 0.000087 28O 1f-1 -0.000108 -0.000007 0.000306 -0.000496 -0.000588 -0.000833 28O 1f+2 -0.000872 0.002228 -0.000660 -0.000093 -0.000160 0.000035 28O 1f-2 0.000840 -0.001214 0.000826 0.000377 -0.000074 0.000523 28O 1f+3 0.000096 0.000786 0.000238 -0.000284 -0.000067 -0.000126 28O 1f-3 0.000671 -0.000650 0.000256 -0.000066 0.000283 -0.000301 29O 1s 0.008419 0.002928 -0.005425 -0.013506 0.001781 0.002824 29O 2s 0.020243 0.006559 -0.011324 -0.030055 0.003717 0.005544 29O 3s -0.027702 0.000995 -0.017277 -0.011950 0.005511 0.019792 29O 4s -0.122362 -0.071816 0.196667 0.328653 -0.063787 -0.118157 29O 5s 0.091379 -0.024002 -0.020812 0.414526 0.005406 -0.162864 29O 1pz -0.015826 0.034896 0.000436 -0.007408 -0.037808 -0.003074 29O 1px 0.017849 0.020456 -0.028727 -0.006949 -0.015638 0.008869 29O 1py 0.009568 0.018360 -0.046327 -0.105505 0.019374 0.065619 29O 2pz -0.013422 0.124192 0.011845 -0.018764 -0.088661 -0.004874 29O 2px -0.024893 0.049815 -0.062919 -0.019643 -0.031446 0.044655 29O 2py 0.009228 0.034031 -0.116593 -0.262853 0.048209 0.163429 29O 3pz -0.098668 0.380139 -0.056893 -0.138335 -0.117077 0.193608 29O 3px 0.217186 0.080155 0.348435 0.477558 -0.116982 -0.380626 29O 3py -0.023130 -0.008076 -0.008983 -0.145314 0.005030 0.000786 29O 1dz2 -0.001062 0.004279 -0.002594 -0.008141 -0.000820 0.004981 29O 1dxz -0.001176 -0.001574 -0.002580 -0.006034 0.002119 0.002986 29O 1dyz -0.000758 0.007604 0.000516 -0.000511 -0.003704 0.001400 29O 1dx2y2 0.001336 -0.000324 0.000164 0.000985 0.000276 -0.000665 29O 1dxy 0.000793 0.002527 0.003414 0.006845 -0.002261 -0.003612 29O 2dz2 0.001390 -0.031320 0.000207 0.005540 0.008790 -0.007048 29O 2dxz -0.006518 0.033452 0.006195 0.002933 -0.010782 0.003614 29O 2dyz 0.002501 -0.029060 -0.001374 0.005296 0.009352 -0.006757 29O 2dx2y2 0.003048 0.014131 -0.000423 -0.000563 -0.003718 0.001968 29O 2dxy 0.000134 -0.008519 -0.009621 -0.023134 0.007688 0.009178 29O 1f0 -0.000297 0.002201 -0.001552 -0.004636 -0.000043 0.002334 29O 1f+1 -0.000091 0.001931 0.000800 0.001818 -0.001037 -0.000615 29O 1f-1 -0.000199 0.003665 -0.001724 -0.005379 -0.000288 0.002860 29O 1f+2 0.000186 -0.002036 0.000526 0.001934 0.000155 -0.001063 29O 1f-2 0.000564 -0.003401 -0.001841 -0.003795 0.001981 0.001313 29O 1f+3 -0.000264 0.001291 0.000868 0.001653 -0.000738 -0.000491 29O 1f-3 0.000152 0.001655 0.000812 0.001719 -0.000789 -0.000764 30O 1s -0.006436 -0.006861 -0.000772 -0.002245 0.009283 -0.001054 30O 2s -0.016149 -0.016531 -0.001483 -0.005630 0.022037 -0.002648 30O 3s 0.032227 0.018667 -0.005948 0.012860 -0.024616 0.008001 30O 4s 0.006033 0.042918 -0.003938 0.025688 -0.156955 -0.003905 30O 5s 0.248126 1.000490 0.737877 -0.418860 0.433474 -0.143478 30O 1pz -0.051724 0.007845 0.024649 0.021407 0.071286 0.022207 30O 1px 0.085970 0.030598 -0.004714 0.017498 -0.057153 -0.007861 30O 1py 0.039005 -0.045688 -0.042830 0.014294 -0.046401 -0.023615 30O 2pz -0.061481 -0.026379 0.005383 0.047367 0.077833 0.036783 30O 2px 0.077060 0.065044 0.010216 0.000153 -0.035504 -0.022528 30O 2py 0.043573 0.017842 -0.026732 0.016957 -0.058358 -0.044804 30O 3pz -0.038157 -0.099980 -0.120376 -0.014696 -0.101389 0.086243 30O 3px 0.328090 0.508065 0.390655 -0.111636 -0.051661 -0.121237 30O 3py 0.034989 -0.211439 0.105365 -0.130845 0.168988 -0.089303 30O 1dz2 0.002007 0.003130 0.002258 -0.000934 -0.001273 0.000388 30O 1dxz 0.001753 0.003296 0.001349 0.000667 0.000041 -0.000321 30O 1dyz -0.000855 0.001483 -0.001405 0.000338 -0.002104 -0.000670 30O 1dx2y2 -0.004053 -0.002205 -0.004390 -0.000116 -0.002557 0.000442 30O 1dxy -0.001605 -0.002531 0.000074 0.001110 0.001969 0.001154 30O 2dz2 0.003335 0.000647 -0.002739 0.001162 -0.001236 -0.002033 30O 2dxz 0.001263 -0.015211 -0.016040 0.009717 -0.010525 0.005762 30O 2dyz -0.002110 -0.022905 -0.028127 0.015782 -0.026877 0.001592 30O 2dx2y2 -0.010413 -0.003354 -0.003781 0.002435 -0.002558 -0.005384 30O 2dxy 0.000761 0.009033 0.017160 -0.012018 0.012833 -0.009101 30O 1f0 0.000484 -0.000004 0.000641 -0.000505 0.000419 -0.000501 30O 1f+1 0.000335 0.000456 0.000397 -0.000004 0.000093 -0.000143 30O 1f-1 0.000203 0.000100 0.000372 0.000290 0.000262 0.000392 30O 1f+2 0.000317 -0.001068 -0.000288 0.000231 0.000105 0.000204 30O 1f-2 -0.000741 -0.001984 -0.002335 0.001014 -0.000617 0.000684 30O 1f+3 0.000756 0.001100 0.001447 -0.000781 -0.000239 -0.000015 30O 1f-3 -0.000243 -0.001077 -0.000687 0.000628 0.000071 0.000759 31O 1s -0.006630 -0.006878 -0.000694 0.002484 0.009233 -0.000749 31O 2s -0.016755 -0.016507 -0.001265 0.006214 0.021885 -0.001886 31O 3s 0.035664 0.017371 -0.006866 -0.013801 -0.023814 0.006515 31O 4s 0.000083 0.046470 -0.003336 -0.025404 -0.158595 -0.002598 31O 5s 0.266491 0.998382 0.760148 0.381747 0.423480 -0.171480 31O 1pz 0.050073 -0.006063 -0.023821 0.023028 -0.069222 -0.021002 31O 1px -0.088979 -0.029806 0.005605 0.018577 0.056846 0.008759 31O 1py -0.038708 0.045512 0.043978 0.010314 0.045596 0.023807 31O 2pz 0.057807 0.030108 -0.002980 0.048589 -0.075376 -0.034090 31O 2px -0.078272 -0.065586 -0.010537 0.001880 0.036217 0.022428 31O 2py -0.042677 -0.017885 0.027607 0.013635 0.058114 0.045913 31O 3pz 0.027995 0.098976 0.122333 -0.012856 0.090741 -0.103241 31O 3px -0.308438 -0.517704 -0.400438 -0.099838 0.053636 0.146447 31O 3py -0.012231 0.198879 -0.114034 -0.142573 -0.164566 0.092939 31O 1dz2 0.001959 0.003179 0.002321 0.000761 -0.001229 0.000173 31O 1dxz 0.001216 0.003534 0.001368 -0.000706 -0.000060 -0.000490 31O 1dyz -0.001051 0.001606 -0.001398 -0.000222 -0.002095 -0.000495 31O 1dx2y2 -0.003608 -0.002426 -0.004424 0.000275 -0.002490 0.000942 31O 1dxy -0.001297 -0.002754 -0.000039 -0.001174 0.002009 0.001100 31O 2dz2 0.002609 0.000819 -0.002880 -0.001049 -0.001219 -0.002019 31O 2dxz 0.001055 -0.015292 -0.016770 -0.009304 -0.009930 0.006372 31O 2dyz 0.000066 -0.024139 -0.028991 -0.014274 -0.026186 0.002393 31O 2dx2y2 -0.012115 -0.002806 -0.003895 -0.001883 -0.002500 -0.005250 31O 2dxy -0.000399 0.009655 0.017981 0.011910 0.012478 -0.009626 31O 1f0 -0.000396 -0.000047 -0.000679 -0.000526 -0.000398 0.000597 31O 1f+1 -0.000181 -0.000511 -0.000396 0.000011 -0.000078 0.000161 31O 1f-1 -0.000155 -0.000099 -0.000358 0.000323 -0.000241 -0.000328 31O 1f+2 -0.000410 0.001137 0.000311 0.000218 -0.000112 -0.000124 31O 1f-2 0.000525 0.002098 0.002406 0.000935 0.000572 -0.000787 31O 1f+3 -0.000860 -0.001084 -0.001493 -0.000703 0.000239 0.000069 31O 1f-3 0.000111 0.001175 0.000736 0.000632 -0.000095 -0.000728 32O 1s 0.008920 0.003044 -0.004855 0.013584 0.001573 0.003558 32O 2s 0.021483 0.006759 -0.010057 0.030220 0.003249 0.007181 32O 3s -0.030388 0.002614 -0.016694 0.011956 0.005515 0.020207 32O 4s -0.123882 -0.079192 0.182659 -0.331606 -0.058155 -0.136083 32O 5s 0.081864 -0.034716 -0.039563 -0.406090 0.002460 -0.178360 32O 1pz 0.013964 -0.034350 -0.001626 -0.003960 0.038180 0.004913 32O 1px -0.012607 -0.023121 0.027948 -0.006392 0.015705 -0.007828 32O 1py -0.002862 -0.024639 0.041699 -0.104778 -0.016612 -0.071331 32O 2pz 0.009538 -0.122963 -0.014419 -0.008769 0.089285 0.008465 32O 2px 0.036235 -0.055303 0.061036 -0.016991 0.031338 -0.042445 32O 2py 0.005967 -0.050499 0.104857 -0.261215 -0.042099 -0.176164 32O 3pz 0.104525 -0.389566 0.049278 -0.108877 0.118381 -0.190915 32O 3px -0.246053 -0.050427 -0.325889 0.484992 0.114204 0.399856 32O 3py 0.000571 0.003051 0.001137 -0.146392 -0.005076 -0.009993 32O 1dz2 -0.001154 0.004263 -0.002279 0.007931 -0.000698 0.005271 32O 1dxz -0.001304 -0.001502 -0.002352 0.006214 0.002168 0.003316 32O 1dyz -0.000755 0.007813 0.000426 0.000412 -0.003702 0.001528 32O 1dx2y2 0.001339 -0.000576 0.000076 -0.000878 0.000350 -0.000684 32O 1dxy 0.000897 0.002204 0.003042 -0.006838 -0.002150 -0.003822 32O 2dz2 0.001644 -0.029912 0.000183 -0.004110 0.008299 -0.006745 32O 2dxz -0.006441 0.034107 0.006115 -0.004814 -0.011049 0.003512 32O 2dyz 0.002754 -0.030137 -0.001581 -0.003936 0.009547 -0.007126 32O 2dx2y2 0.003403 0.015016 -0.000238 -0.000105 -0.003919 0.001855 32O 2dxy -0.000928 -0.006142 -0.008332 0.023441 0.007356 0.010646 32O 1f0 0.000315 -0.002205 0.001255 -0.004229 0.000059 -0.002351 32O 1f+1 0.000105 -0.001901 -0.000796 0.002132 0.001088 0.000813 32O 1f-1 0.000313 -0.003925 0.001555 -0.005416 0.000304 -0.003200 32O 1f+2 -0.000200 0.002169 -0.000534 0.002133 -0.000135 0.001304 32O 1f-2 -0.000487 0.003273 0.001635 -0.003854 -0.001938 -0.001457 32O 1f+3 0.000217 -0.001112 -0.000730 0.001574 0.000643 0.000523 32O 1f-3 -0.000179 -0.001665 -0.000731 0.001748 0.000779 0.000813 33O 1s -0.007166 -0.004655 -0.001747 0.001790 0.000584 0.009944 33O 2s -0.017954 -0.011402 -0.003821 0.004884 0.001324 0.023736 33O 3s 0.034648 0.023805 -0.000677 -0.015374 -0.000581 -0.027905 33O 4s 0.002521 0.081373 0.028701 0.032595 -0.013921 -0.155526 33O 5s 0.513290 -1.156822 0.200408 -0.150038 0.074006 0.385660 33O 1pz 0.039687 0.045393 -0.029123 0.011948 0.031308 -0.062932 33O 1px -0.088982 -0.024701 0.000489 0.013516 0.023791 0.095953 33O 1py -0.009542 -0.007653 -0.018852 -0.004870 0.008474 -0.019671 33O 2pz 0.059614 0.017517 -0.027790 0.003142 0.034006 -0.073854 33O 2px -0.091213 0.010394 0.003922 0.003628 0.036214 0.076630 33O 2py -0.003595 -0.012730 -0.019365 -0.024227 -0.007955 -0.029973 33O 3pz 0.056769 -0.481375 0.008324 0.029347 0.121902 0.095568 33O 3px -0.413158 0.547609 -0.138275 0.125987 -0.061131 0.095708 33O 3py -0.073992 -0.122650 -0.051867 0.133343 0.160387 0.087944 33O 1dz2 0.002430 -0.001127 0.001560 -0.000993 0.000145 0.002390 33O 1dxz 0.002392 -0.002253 -0.000408 0.000918 -0.000047 -0.002249 33O 1dyz 0.001810 -0.001939 0.000445 -0.000437 -0.001089 0.000854 33O 1dx2y2 -0.004147 0.004035 -0.001090 0.001301 0.000152 0.000090 33O 1dxy -0.001811 0.001909 -0.001026 0.001774 0.001505 0.000143 33O 2dz2 0.010192 -0.012694 0.006043 0.004512 -0.011047 0.006594 33O 2dxz -0.005263 0.038417 -0.008006 0.004669 -0.006566 -0.023311 33O 2dyz 0.007405 -0.012479 0.012400 0.002039 -0.005060 0.013804 33O 2dx2y2 -0.002304 -0.016808 -0.000746 -0.001529 -0.000311 0.010743 33O 2dxy -0.007712 0.013676 -0.000524 -0.003456 -0.001972 -0.000975 33O 1f0 -0.000053 0.000905 0.000128 0.000068 -0.000279 -0.000140 33O 1f+1 -0.001260 0.001799 -0.000799 0.000029 0.000262 -0.000129 33O 1f-1 0.000081 0.000043 -0.000330 -0.000480 0.000577 0.000841 33O 1f+2 0.000926 -0.002235 0.000654 -0.000081 0.000167 -0.000062 33O 1f-2 -0.000681 0.001130 -0.000811 0.000401 0.000083 -0.000529 33O 1f+3 0.000056 -0.000851 -0.000260 -0.000250 0.000070 0.000138 33O 1f-3 -0.000577 0.000604 -0.000261 -0.000080 -0.000285 0.000320 34O 1s -0.010105 -0.001895 -0.004278 -0.001556 -0.008796 -0.000231 34O 2s -0.024754 -0.004176 -0.009686 -0.004383 -0.021511 -0.000652 34O 3s 0.041208 -0.005202 0.003671 0.016590 0.037265 0.003444 34O 4s 0.080277 0.026072 0.070553 -0.028825 0.105051 -0.012531 34O 5s -0.104485 0.762780 0.087014 0.104208 -0.798893 0.092647 34O 1pz -0.031797 -0.019668 -0.033858 -0.015229 0.026690 -0.006779 34O 1px 0.127617 0.021838 0.007100 0.002654 0.098794 -0.013967 34O 1py -0.012680 -0.002132 0.026528 0.008235 -0.029450 -0.013929 34O 2pz -0.027214 -0.000504 -0.030588 -0.011147 0.036264 -0.016991 34O 2px 0.115620 0.066661 -0.003567 -0.000561 0.052100 -0.025317 34O 2py -0.035063 -0.018898 0.023932 -0.013482 -0.013418 -0.016262 34O 3pz -0.153395 -0.229984 -0.114916 -0.023311 -0.002017 0.023670 34O 3px 0.150902 0.605482 0.189535 -0.015614 -0.254890 0.013714 34O 3py 0.263734 -0.071141 0.100246 0.151078 -0.004078 -0.011042 34O 1dz2 0.001258 0.001544 0.000699 -0.000562 0.001273 -0.000464 34O 1dxz 0.002210 0.002123 0.001387 -0.000420 -0.001650 -0.000415 34O 1dyz 0.000112 0.000828 0.000817 0.000688 -0.000120 0.000233 34O 1dx2y2 -0.002828 -0.006043 -0.001734 0.000854 0.000492 -0.000645 34O 1dxy -0.000940 -0.001124 -0.001919 -0.000493 0.004146 -0.000853 34O 2dz2 0.007866 -0.012253 -0.002760 0.002133 0.026889 0.005575 34O 2dxz 0.006500 -0.000461 0.004291 -0.000651 -0.006986 0.000521 34O 2dyz 0.003849 0.006573 -0.007142 0.002032 0.014974 0.000072 34O 2dx2y2 -0.015042 0.015986 -0.002864 0.003654 -0.026753 0.004444 34O 2dxy 0.003072 -0.019747 -0.008601 0.006929 0.030031 0.002296 34O 1f0 -0.000195 0.000477 0.000082 -0.000109 -0.000146 -0.000323 34O 1f+1 -0.000238 -0.001512 -0.000557 0.000147 0.001362 -0.000003 34O 1f-1 0.000201 0.000546 0.000419 0.000236 -0.000686 0.000409 34O 1f+2 0.000365 0.000202 0.000900 -0.000148 -0.000359 0.000109 34O 1f-2 0.000429 0.000557 0.000219 -0.000329 0.000242 -0.000177 34O 1f+3 0.000155 -0.001336 -0.000472 0.000189 0.001171 0.000320 34O 1f-3 0.000540 0.001797 0.001116 -0.000446 -0.001555 -0.000087 35O 1s -0.010658 0.007272 0.000104 -0.002484 0.003247 -0.005415 35O 2s -0.025932 0.016802 0.000961 -0.006411 0.007877 -0.013581 35O 3s 0.039205 -0.006408 -0.013393 0.018182 -0.011915 0.033117 35O 4s 0.097047 -0.107336 0.036829 0.028391 -0.039593 0.054375 35O 5s -0.074656 -0.766565 0.118244 -0.558334 0.033998 -1.112443 35O 1pz -0.002444 0.026741 -0.017371 -0.017564 -0.019230 0.024099 35O 1px 0.136728 0.002390 -0.001907 0.011861 -0.044087 0.054695 35O 1py 0.045985 0.047392 -0.013282 0.017293 -0.009216 0.061274 35O 2pz 0.021470 -0.010894 -0.014703 -0.023401 -0.034064 -0.009991 35O 2px 0.129976 -0.068363 -0.001656 -0.017475 -0.041477 -0.036223 35O 2py 0.056048 -0.000358 -0.009407 0.024986 0.016815 0.028908 35O 3pz -0.280685 0.405034 -0.046750 0.008795 0.012757 0.221405 35O 3px 0.276232 -0.389075 0.216693 -0.262155 -0.058577 -0.436818 35O 3py -0.067900 0.150858 0.051435 -0.222757 -0.173741 -0.148237 35O 1dz2 0.002437 -0.003041 0.000393 -0.001056 -0.001085 -0.001264 35O 1dxz 0.001899 -0.000550 0.002311 -0.002267 -0.000482 -0.004398 35O 1dyz 0.000424 0.002250 0.000847 -0.001414 -0.000595 -0.001329 35O 1dx2y2 -0.004217 0.003225 -0.001377 0.001081 0.000820 0.002894 35O 1dxy -0.001737 0.004443 0.000103 0.001320 0.000331 -0.000053 35O 2dz2 0.007280 0.008869 -0.001803 0.012286 0.000168 0.018374 35O 2dxz 0.005230 -0.007408 0.005562 -0.008877 -0.000020 -0.020226 35O 2dyz -0.005991 -0.009933 0.007080 -0.012802 0.006589 -0.021481 35O 2dx2y2 -0.010700 -0.017688 0.004713 -0.010522 0.009699 -0.026958 35O 2dxy -0.009175 -0.018661 0.009569 -0.021992 0.003431 -0.046540 35O 1f0 -0.000565 0.000462 -0.000742 0.000358 -0.000163 0.000903 35O 1f+1 -0.000419 0.001579 -0.000463 0.001293 -0.000186 0.001917 35O 1f-1 -0.000174 0.001709 -0.000771 0.000693 -0.000031 0.001600 35O 1f+2 0.000647 -0.001208 0.000500 -0.000285 -0.000313 -0.000912 35O 1f-2 0.000123 0.000344 0.000480 -0.000757 -0.000216 -0.000631 35O 1f+3 0.000173 0.001036 0.000263 -0.000463 -0.000414 0.000665 35O 1f-3 -0.000460 0.001610 -0.000974 0.002011 0.000036 0.002918 180 181 182 183 184 185 0.39483 0.39602 0.39785 0.40000 0.40213 0.40357 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s 0.000568 0.000273 0.000978 0.001128 -0.000156 0.000234 0Rh 2s -0.001347 -0.001309 -0.002330 -0.005856 0.001539 -0.000076 0Rh 3s 0.002472 0.000777 0.004256 0.002942 0.000045 0.001315 0Rh 4s 0.005609 0.005922 0.009714 0.026779 -0.007250 -0.000058 0Rh 5s 0.002338 -0.006888 0.003774 -0.036109 0.013388 0.007157 0Rh 6s -0.037932 -0.003670 -0.064144 0.009921 -0.014358 -0.028413 0Rh 7s 0.219134 -0.043500 0.196904 -0.274498 0.186709 0.298965 0Rh 8s 0.010187 0.070366 0.752972 -0.566634 -0.103872 -0.286506 0Rh 1pz 0.005339 -0.000248 -0.008563 0.007661 0.000551 0.005872 0Rh 1px 0.003730 0.001352 -0.002412 0.000441 -0.003198 -0.002125 0Rh 1py -0.010550 -0.004169 -0.006035 -0.000755 0.003420 0.000040 0Rh 2pz -0.018406 0.000843 0.029782 -0.026007 -0.002072 -0.020521 0Rh 2px -0.012963 -0.004742 0.008121 -0.001348 0.010685 0.007135 0Rh 2py 0.036421 0.014428 0.020716 0.002661 -0.011861 -0.000109 0Rh 3pz 0.016784 -0.000522 -0.032161 0.015873 0.005365 0.024179 0Rh 3px 0.013891 0.005870 -0.003856 -0.002092 -0.003543 -0.003005 0Rh 3py -0.034260 -0.014214 -0.017151 -0.003567 0.012126 -0.000441 0Rh 4pz 0.024151 -0.002306 -0.019613 0.064901 -0.012182 0.004359 0Rh 4px 0.008582 0.000312 -0.023137 0.014381 -0.035346 -0.021411 0Rh 4py -0.043090 -0.014799 -0.033775 0.000990 0.010625 0.002141 0Rh 5pz -0.000598 0.004984 -0.042684 -0.061444 0.040548 0.059183 0Rh 5px 0.021288 0.012132 0.017427 -0.023853 0.023016 0.014057 0Rh 5py -0.015099 -0.008701 0.011351 -0.009302 0.006003 -0.005151 0Rh 6pz -0.023784 -0.077957 0.529978 0.200480 -0.408832 -0.833003 0Rh 6px -0.368148 -0.120517 -0.031974 0.403649 0.181834 0.003397 0Rh 6py 0.326432 0.288499 -0.035245 0.126979 -0.004311 0.099408 0Rh 1dz2 -0.001205 -0.001173 -0.006079 -0.007261 -0.008184 0.000627 0Rh 1dxz 0.002491 0.000895 0.003020 -0.002041 -0.002883 -0.003799 0Rh 1dyz 0.002437 -0.000289 0.007400 0.002239 0.000765 0.003817 0Rh 1dx2y2 -0.001386 -0.004301 0.004405 0.004177 0.006669 -0.001627 0Rh 1dxy 0.001580 0.007806 -0.005666 0.003713 -0.003872 -0.000022 0Rh 2dz2 -0.000156 -0.000121 0.000990 0.000107 0.000983 0.000260 0Rh 2dxz 0.000210 -0.000322 -0.000289 0.000773 0.000327 0.000450 0Rh 2dyz 0.000018 0.000214 -0.000452 0.000132 -0.000614 0.000024 0Rh 2dx2y2 0.000290 0.000348 -0.001014 -0.000708 -0.001487 -0.000065 0Rh 2dxy -0.000719 -0.001232 -0.000484 -0.000576 0.000394 0.000144 0Rh 3dz2 0.002874 0.002603 0.007079 0.012906 0.011017 -0.002218 0Rh 3dxz -0.005493 -0.000314 -0.004402 0.000448 0.003942 0.005160 0Rh 3dyz -0.004611 -0.000472 -0.011807 -0.004673 0.001077 -0.007145 0Rh 3dx2y2 0.001337 0.006465 -0.003848 -0.004646 -0.006074 0.003306 0Rh 3dxy 0.000103 -0.009363 0.012527 -0.004435 0.005532 -0.000551 0Rh 4dz2 -0.000546 0.000985 0.021227 0.011020 0.023119 0.002823 0Rh 4dxz 0.000242 -0.005568 -0.007392 0.014303 0.008031 0.010679 0Rh 4dyz -0.001617 0.005567 -0.014230 -0.000829 -0.008838 -0.004034 0Rh 4dx2y2 0.005882 0.010391 -0.019578 -0.015926 -0.028669 0.000513 0Rh 4dxy -0.011960 -0.025088 -0.000021 -0.012600 0.009971 0.002071 0Rh 5dz2 0.015441 -0.004404 -0.037772 0.014965 -0.027809 -0.023752 0Rh 5dxz -0.032434 0.020406 0.008009 -0.075540 -0.012765 -0.008251 0Rh 5dyz -0.029427 -0.049073 -0.012841 -0.016668 0.027665 -0.024186 0Rh 5dx2y2 -0.018207 -0.010581 0.045746 0.059428 0.076494 0.020874 0Rh 5dxy 0.046821 0.024402 0.065225 0.033215 -0.006875 -0.012666 0Rh 1f0 -0.002656 -0.002721 0.000551 0.001159 0.001437 -0.001500 0Rh 1f+1 -0.000970 0.002030 0.000103 -0.000816 -0.000334 -0.002506 0Rh 1f-1 -0.001330 -0.003093 -0.003018 -0.001113 0.006295 0.004063 0Rh 1f+2 -0.002880 -0.001844 0.000397 0.000065 -0.003360 -0.003124 0Rh 1f-2 -0.000676 0.005266 -0.000437 -0.001454 0.003589 0.001419 0Rh 1f+3 0.000628 -0.000088 -0.000849 -0.000487 0.000038 0.000019 0Rh 1f-3 -0.000774 -0.002531 0.001116 -0.000148 -0.000842 -0.001222 1Rh 1s -0.000496 0.000376 -0.000952 -0.001071 -0.000362 -0.000001 1Rh 2s 0.001061 -0.001557 0.002210 0.005497 0.002484 0.000880 1Rh 3s -0.002233 0.001222 -0.004176 -0.002835 -0.000568 0.000537 1Rh 4s -0.004332 0.006962 -0.009171 -0.025121 -0.011528 -0.004338 1Rh 5s -0.003484 -0.006544 -0.004384 0.033591 0.018405 0.011300 1Rh 6s 0.035895 -0.010300 0.063778 -0.008596 -0.012948 -0.023468 1Rh 7s -0.197060 -0.020998 -0.198596 0.245787 0.211314 0.305537 1Rh 8s -0.025020 0.138402 -0.747710 0.590549 -0.016134 -0.226544 1Rh 1pz 0.005016 0.000603 -0.008374 0.007764 0.000173 -0.005872 1Rh 1px 0.004135 -0.001266 -0.002425 0.000033 0.003154 0.001860 1Rh 1py -0.010930 0.004734 -0.005876 -0.000552 -0.003628 -0.000080 1Rh 2pz -0.017333 -0.002095 0.029111 -0.026388 -0.000393 0.020522 1Rh 2px -0.014358 0.004464 0.008165 0.000020 -0.010524 -0.006234 1Rh 2py 0.037716 -0.016366 0.020168 0.001970 0.012587 0.000266 1Rh 3pz 0.016609 0.002223 -0.031220 0.016746 -0.003694 -0.024203 1Rh 3px 0.015149 -0.005947 -0.003874 -0.002612 0.003233 0.002430 1Rh 3py -0.035192 0.015806 -0.016657 -0.003118 -0.013009 -0.000063 1Rh 4pz 0.019627 0.001766 -0.020015 0.063205 0.017654 -0.004305 1Rh 4px 0.010219 0.001235 -0.023311 0.010018 0.035714 0.019240 1Rh 4py -0.045806 0.017998 -0.033037 0.002638 -0.010715 -0.000931 1Rh 5pz 0.005780 -0.000304 -0.040003 -0.055820 -0.044894 -0.058965 1Rh 5px 0.023575 -0.013991 0.017878 -0.020538 -0.023829 -0.011801 1Rh 5py -0.012694 0.007546 0.011217 -0.011551 -0.007930 0.002200 1Rh 6pz -0.059037 0.032601 0.500546 0.146665 0.416286 0.810777 1Rh 6px -0.406102 0.132478 -0.038253 0.414177 -0.145923 0.005883 1Rh 6py 0.327228 -0.282073 -0.037950 0.158485 0.033733 -0.073752 1Rh 1dz2 0.001520 -0.001918 0.006039 0.007966 -0.007541 0.001605 1Rh 1dxz -0.003052 0.001199 -0.002931 0.002284 -0.002090 -0.003057 1Rh 1dyz -0.002085 0.000501 -0.007333 -0.002291 0.000687 0.003287 1Rh 1dx2y2 0.001351 -0.003862 -0.004562 -0.004897 0.006278 -0.001827 1Rh 1dxy -0.002285 0.007022 0.006084 -0.003311 -0.004392 -0.000252 1Rh 2dz2 0.000134 -0.000043 -0.000985 -0.000189 0.000950 0.000202 1Rh 2dxz -0.000055 -0.000323 0.000268 -0.000779 0.000200 0.000368 1Rh 2dyz -0.000006 0.000177 0.000454 -0.000085 -0.000636 0.000022 1Rh 2dx2y2 -0.000329 0.000260 0.001016 0.000849 -0.001375 0.000098 1Rh 2dxy 0.000858 -0.001256 0.000423 0.000515 0.000472 0.000220 1Rh 3dz2 -0.003363 0.003651 -0.007031 -0.013865 0.009975 -0.003765 1Rh 3dxz 0.005887 -0.000876 0.004324 -0.000868 0.003018 0.004140 1Rh 3dyz 0.003910 -0.001777 0.011668 0.004577 0.001317 -0.006154 1Rh 3dx2y2 -0.001110 0.006027 0.004129 0.005386 -0.005840 0.002978 1Rh 3dxy 0.000625 -0.007808 -0.013048 0.003945 0.006162 -0.000447 1Rh 4dz2 -0.000102 0.002969 -0.021033 -0.012990 0.021770 0.000625 1Rh 4dxz 0.002565 -0.005912 0.006999 -0.014701 0.005172 0.008528 1Rh 4dyz 0.001452 0.004153 0.014356 0.001528 -0.009098 -0.003511 1Rh 4dx2y2 -0.006414 0.008622 0.019817 0.018753 -0.026456 0.003169 1Rh 4dxy 0.014672 -0.024520 -0.001263 0.011283 0.011717 0.003406 1Rh 5dz2 -0.016322 -0.005805 0.036632 -0.012560 -0.026150 -0.020644 1Rh 5dxz 0.023914 0.018888 -0.007153 0.075184 -0.003728 -0.003265 1Rh 5dyz 0.025485 -0.050490 0.009789 0.014186 0.030389 -0.019907 1Rh 5dx2y2 0.022219 -0.006779 -0.045505 -0.066154 0.065812 0.006580 1Rh 5dxy -0.051895 0.030649 -0.063940 -0.030709 -0.011279 -0.017516 1Rh 1f0 -0.002872 0.002728 0.000569 0.001119 -0.001290 0.001608 1Rh 1f+1 -0.000989 -0.001943 -0.000181 -0.000970 0.000326 0.002502 1Rh 1f-1 -0.000794 0.003327 -0.002665 -0.000521 -0.006383 -0.004252 1Rh 1f+2 -0.003191 0.001851 0.000380 -0.000505 0.003106 0.002745 1Rh 1f-2 -0.000602 -0.005175 -0.000791 -0.001285 -0.003688 -0.001428 1Rh 1f+3 0.000904 0.000134 -0.000808 -0.000426 -0.000113 -0.000088 1Rh 1f-3 -0.000735 0.002421 0.001307 -0.000158 0.000745 0.001102 2C 1s 0.000146 -0.003945 -0.005089 0.023656 -0.011177 0.009492 2C 2s 0.000168 -0.002165 -0.016949 0.049583 -0.025176 0.019298 2C 3s 0.009342 -0.235561 0.228684 0.024302 0.049227 0.033510 2C 4s -0.059489 1.632817 -1.218325 -1.148134 0.168849 -0.600151 2C 5s 0.034175 -4.009749 2.499229 4.906694 -0.197411 2.534986 2C 1pz 0.005175 -0.120031 0.145819 -0.056735 0.097649 0.017201 2C 1px 0.016217 -0.041045 0.077419 -0.048787 -0.009167 -0.015557 2C 1py 0.018708 -0.078694 0.090364 -0.031556 0.042684 -0.013499 2C 2pz -0.023219 0.016865 -0.011089 0.040956 0.156200 0.096524 2C 2px 0.089889 -0.099596 0.213771 -0.193779 -0.159688 -0.086952 2C 2py 0.052200 -0.002272 -0.008922 0.052630 -0.034682 0.004545 2C 3pz -0.018145 1.065165 -1.320748 0.415159 -0.286138 -0.320230 2C 3px -0.093841 0.356289 -0.629490 0.380795 0.578044 -0.040176 2C 3py -0.214644 0.691057 -0.611133 0.423798 -0.239690 0.753334 2C 1dz2 -0.000966 0.002203 -0.001751 0.001617 0.000360 0.002997 2C 1dxz 0.001025 -0.001160 0.001842 -0.002566 -0.004477 -0.000155 2C 1dyz -0.000443 0.002956 -0.004418 0.002332 -0.000538 -0.000791 2C 1dx2y2 -0.001089 0.000513 -0.000201 0.000074 0.000771 0.002970 2C 1dxy 0.000833 -0.000179 0.000507 -0.000094 -0.003980 -0.000458 2C 2dz2 -0.022366 0.101321 -0.108668 0.087866 -0.051248 0.071507 2C 2dxz -0.003689 0.058288 -0.064083 0.003838 -0.080804 0.040197 2C 2dyz -0.004037 0.149276 -0.182361 0.073736 -0.081192 -0.024089 2C 2dx2y2 0.004298 -0.054973 0.067895 -0.027047 -0.006469 0.026993 2C 2dxy -0.001409 0.025463 -0.042494 -0.011345 -0.041623 -0.017458 2C 1f0 0.000371 0.005077 -0.003190 -0.000968 -0.003392 -0.000813 2C 1f+1 0.000004 0.004729 -0.004639 -0.002005 -0.002898 -0.002475 2C 1f-1 -0.002416 0.020745 -0.021690 0.002912 -0.003600 -0.000936 2C 1f+2 -0.000273 -0.015384 0.011700 0.006800 0.002670 0.005960 2C 1f-2 -0.001292 0.016219 -0.014427 -0.008332 -0.002272 -0.003265 2C 1f+3 0.000706 -0.006575 0.002780 0.009668 -0.006354 0.006198 2C 1f-3 0.001702 -0.002007 0.002885 0.000340 -0.002807 -0.001479 3C 1s 0.004433 0.006939 0.006956 0.017183 0.000109 -0.006884 3C 2s 0.016930 0.009826 0.013565 0.035881 -0.000706 -0.015453 3C 3s -0.283177 0.187202 0.046774 0.030355 0.034594 0.032135 3C 4s 1.571843 -1.467453 -0.571682 -0.890039 -0.223366 0.068158 3C 5s -3.358596 3.436777 2.472707 3.481403 0.970855 -0.349263 3C 1pz -0.073159 0.034679 0.013478 -0.003410 0.030091 0.014436 3C 1px -0.080487 0.035425 0.009338 -0.064497 0.009852 0.010219 3C 1py 0.186951 -0.072271 -0.017494 0.013085 -0.029846 -0.050445 3C 2pz 0.110054 -0.060669 0.044425 0.076029 0.060748 0.000092 3C 2px -0.078529 0.059660 0.010914 -0.279522 -0.013931 -0.014434 3C 2py 0.061908 0.039619 -0.064327 -0.123355 -0.033774 -0.010635 3C 3pz 0.564509 -0.391468 -0.131555 -0.103651 -0.328132 0.405201 3C 3px 0.608699 -0.395915 0.032345 0.556679 0.102130 0.171409 3C 3py -1.569780 0.901042 -0.047250 -0.290073 -0.081110 0.674213 3C 1dz2 -0.000863 0.000092 0.001129 0.002240 0.001611 -0.002263 3C 1dxz 0.000474 0.001140 -0.001637 -0.005096 -0.000428 -0.002188 3C 1dyz -0.004832 0.002644 -0.001611 -0.003455 -0.001005 0.002215 3C 1dx2y2 -0.001462 0.001563 -0.000774 -0.002782 0.000545 -0.001677 3C 1dxy -0.001599 -0.000063 0.001000 0.002930 0.002369 0.000868 3C 2dz2 -0.051097 0.016971 0.012406 0.012303 0.026589 -0.033949 3C 2dxz 0.076638 -0.040296 0.003907 0.027452 -0.007034 -0.046155 3C 2dyz -0.177182 0.086256 -0.000102 -0.066559 0.007018 0.092930 3C 2dx2y2 -0.133631 0.072942 0.006575 -0.043073 0.029013 -0.017605 3C 2dxy -0.138663 0.055318 0.008824 0.019212 0.031337 0.033603 3C 1f0 -0.010577 0.002986 -0.000218 -0.002681 0.001361 0.000317 3C 1f+1 -0.000271 -0.000615 -0.000990 -0.004763 -0.001252 -0.001026 3C 1f-1 0.004295 -0.003769 -0.002900 -0.007538 -0.001080 0.002992 3C 1f+2 -0.025181 0.019704 0.006936 0.005506 0.002705 0.001016 3C 1f-2 -0.019192 0.013845 0.005042 0.008467 0.003511 0.002009 3C 1f+3 0.013558 -0.008205 -0.001083 0.002587 -0.001463 -0.004788 3C 1f-3 -0.002432 0.000779 0.000247 -0.000312 0.001150 0.002791 4C 1s 0.002018 -0.025478 0.016439 0.010416 -0.002433 0.005583 4C 2s 0.004418 -0.056584 0.036900 0.021421 -0.004814 0.011759 4C 3s 0.003116 0.122440 -0.122026 0.033198 -0.004507 -0.004955 4C 4s -0.125238 0.418537 0.007560 -0.628110 0.104341 -0.214533 4C 5s 0.309671 -1.451211 2.213539 -1.443328 -0.077057 -0.488474 4C 1pz 0.010896 -0.067991 0.136815 -0.121991 0.169052 -0.068495 4C 1px 0.038125 -0.061774 0.073153 -0.082756 -0.062157 -0.052277 4C 1py 0.002712 -0.068380 0.122622 -0.088021 0.034077 0.060946 4C 2pz -0.006992 0.130811 -0.002779 -0.099409 0.118713 -0.188357 4C 2px 0.059649 0.076506 -0.175114 -0.282530 -0.139788 -0.200681 4C 2py -0.051072 0.113687 -0.005562 -0.126352 -0.134817 0.261365 4C 3pz -0.076204 0.163167 -0.142316 0.931849 -0.080816 1.128121 4C 3px -0.281328 0.450081 -0.605756 0.445256 -0.106490 0.318957 4C 3py 0.135030 0.306998 -0.582998 0.514764 0.514699 -0.712641 4C 1dz2 0.003328 -0.004526 0.009247 -0.008025 0.001618 -0.003834 4C 1dxz -0.000956 0.002490 -0.000567 0.000782 0.013666 0.000639 4C 1dyz 0.000124 -0.001690 0.005777 -0.007996 0.006551 0.000142 4C 1dx2y2 -0.001276 0.003173 -0.007859 0.006054 -0.006387 0.000742 4C 1dxy -0.003022 0.003338 -0.006547 0.002346 0.005718 0.000218 4C 2dz2 0.017433 -0.169211 0.179034 -0.016664 0.055610 -0.064781 4C 2dxz -0.009149 -0.013858 -0.025560 -0.101084 0.071256 -0.053381 4C 2dyz 0.002158 -0.176669 0.205291 -0.061990 0.047858 0.022228 4C 2dx2y2 -0.023777 0.087594 -0.120185 0.034288 -0.042972 -0.024948 4C 2dxy -0.011033 0.013994 -0.026285 -0.020408 0.018047 0.000410 4C 1f0 0.000724 0.000310 -0.003010 -0.000073 0.002226 -0.003512 4C 1f+1 0.000715 0.000194 -0.001891 0.002721 0.001343 0.000201 4C 1f-1 -0.000127 0.011694 -0.011646 0.004534 -0.004999 -0.000479 4C 1f+2 -0.000525 -0.005950 0.009598 0.000008 0.000847 -0.003141 4C 1f-2 0.000565 0.006903 -0.008092 -0.000796 0.000511 -0.004831 4C 1f+3 -0.000423 0.000836 0.003155 0.005197 -0.001326 0.002906 4C 1f-3 0.002522 -0.005642 0.005182 0.006237 0.002021 -0.000832 5C 1s -0.020143 0.020054 0.008845 0.005928 0.000939 0.001051 5C 2s -0.045539 0.044065 0.019255 0.012240 0.001743 0.002210 5C 3s 0.174009 -0.081935 -0.018351 0.019114 0.037678 0.017721 5C 4s -0.163331 -0.422749 -0.286821 -0.373726 -0.295087 -0.211691 5C 5s -2.442651 1.147560 -0.074973 -1.082414 -0.438549 0.326370 5C 1pz -0.107089 0.012647 -0.014975 -0.034506 0.013745 0.126969 5C 1px -0.083072 0.064396 -0.011096 -0.111392 -0.041539 0.036149 5C 1py 0.171383 -0.028035 0.002476 0.047220 -0.067444 -0.012071 5C 2pz -0.010596 -0.064425 -0.097888 -0.123420 -0.180978 0.273084 5C 2px 0.032360 -0.091194 -0.002741 -0.025103 0.025265 0.079518 5C 2py -0.010966 0.120343 0.045567 0.070901 0.017540 0.244738 5C 3pz 0.265120 -0.182622 0.621728 0.434103 0.367871 -1.020504 5C 3px 0.423972 -0.589716 0.028369 0.677331 0.259088 -0.494412 5C 3py -0.386958 0.330466 -0.482228 -0.310883 0.107621 -0.623916 5C 1dz2 -0.002402 0.002822 -0.000375 -0.005355 -0.001077 0.002493 5C 1dxz -0.005030 -0.002449 0.003308 0.005834 0.004823 0.005558 5C 1dyz 0.004981 -0.000343 0.002540 0.009238 0.001888 -0.000681 5C 1dx2y2 0.009055 -0.002668 -0.000470 0.012273 -0.001707 -0.003220 5C 1dxy 0.004181 0.004873 -0.003184 -0.009011 -0.006930 -0.002785 5C 2dz2 0.026520 -0.003492 -0.003916 -0.009192 -0.038685 0.057799 5C 2dxz -0.081802 0.034487 -0.014772 -0.037998 0.079742 0.100325 5C 2dyz 0.222448 -0.137541 0.002350 0.054223 0.045829 -0.061219 5C 2dx2y2 0.184727 -0.146246 0.016001 0.051269 -0.034936 -0.023054 5C 2dxy 0.106553 -0.034769 -0.020265 -0.037450 -0.072933 -0.046747 5C 1f0 -0.008836 0.005967 0.002881 0.002896 0.005443 0.004929 5C 1f+1 -0.000765 0.004848 0.000378 -0.001500 0.002551 0.000871 5C 1f-1 -0.001554 -0.000306 0.000631 0.001944 0.004493 -0.005359 5C 1f+2 -0.012152 0.006396 -0.001299 -0.002984 -0.000492 0.004212 5C 1f-2 -0.011369 0.006388 -0.001073 -0.003642 -0.007247 -0.005325 5C 1f+3 0.009298 -0.001792 -0.000090 0.001402 0.000764 0.000278 5C 1f-3 -0.005198 -0.001340 -0.000175 -0.001259 -0.003314 -0.004295 6C 1s 0.021277 0.020748 -0.007337 -0.005916 0.001110 0.001863 6C 2s 0.048022 0.045533 -0.015933 -0.012214 0.002148 0.003913 6C 3s -0.177987 -0.079823 0.011855 -0.021620 0.035121 0.019006 6C 4s 0.137310 -0.467086 0.256616 0.391431 -0.288742 -0.250633 6C 5s 2.531082 1.088782 0.181594 1.125997 -0.308776 0.353467 6C 1pz -0.108635 -0.008620 -0.014258 -0.025748 -0.014893 -0.120694 6C 1px -0.085418 -0.061905 -0.015253 -0.116839 0.027500 -0.044466 6C 1py 0.175236 0.023593 0.006981 0.040103 0.071190 0.003261 6C 2pz -0.002959 0.075261 -0.083613 -0.121890 0.179698 -0.263922 6C 2px 0.029823 0.090408 0.000803 -0.019666 -0.038163 -0.096535 6C 2py -0.016221 -0.128918 0.041885 0.079393 -0.018336 -0.259792 6C 3pz 0.266410 0.115650 0.615120 0.428983 -0.349658 1.007055 6C 3px 0.407648 0.581295 0.043827 0.688943 -0.178299 0.558350 6C 3py -0.406024 -0.267542 -0.534669 -0.355562 -0.121127 0.658360 6C 1dz2 0.002412 0.002794 0.000523 0.005452 -0.000364 0.002889 6C 1dxz 0.004997 -0.002181 -0.003426 -0.006647 0.004187 0.004471 6C 1dyz -0.005191 0.000035 -0.002540 -0.009337 0.001126 -0.000791 6C 1dx2y2 -0.009146 -0.002506 0.000243 -0.012106 -0.003105 -0.003542 6C 1dxy -0.004184 0.004693 0.003383 0.010182 -0.005853 -0.001578 6C 2dz2 -0.027330 -0.002114 0.001974 0.011658 -0.039552 0.053893 6C 2dxz 0.082758 0.031473 0.016371 0.027223 0.085155 0.104363 6C 2dyz -0.227660 -0.133006 -0.010988 -0.057241 0.040354 -0.060508 6C 2dx2y2 -0.188587 -0.141731 -0.026655 -0.051894 -0.040869 -0.021594 6C 2dxy -0.111471 -0.034698 0.015831 0.047225 -0.071939 -0.041709 6C 1f0 -0.009173 -0.006130 0.002396 0.003532 -0.005512 -0.004896 6C 1f+1 -0.000821 -0.004914 0.000074 -0.001510 -0.002687 -0.000926 6C 1f-1 -0.001660 0.000296 0.000466 0.002132 -0.004425 0.005362 6C 1f+2 -0.012445 -0.006057 -0.001702 -0.002884 0.000241 -0.004147 6C 1f-2 -0.011572 -0.005988 -0.001551 -0.004554 0.007128 0.005752 6C 1f+3 0.009449 0.001501 0.000078 0.001268 -0.000508 -0.000129 6C 1f-3 -0.005265 0.001597 -0.000158 -0.001518 0.003362 0.004528 7C 1s -0.001859 -0.024147 -0.018360 -0.010658 -0.003249 0.004830 7C 2s -0.004224 -0.053648 -0.041185 -0.022034 -0.006534 0.010076 7C 3s 0.007009 0.115769 0.132847 -0.029449 -0.005050 0.000254 7C 4s 0.055828 0.399284 0.014051 0.618853 0.141555 -0.209897 7C 5s -0.278246 -1.324750 -2.310151 1.417767 0.050715 -0.493210 7C 1pz 0.021602 0.061036 0.141513 -0.105266 -0.173678 0.075494 7C 1px 0.022594 0.056695 0.075087 -0.089291 0.051341 0.047260 7C 1py 0.005062 0.061210 0.130085 -0.078702 -0.041186 -0.060399 7C 2pz 0.002419 -0.126620 -0.015674 -0.098074 -0.124585 0.191391 7C 2px 0.060451 -0.058916 -0.186032 -0.302137 0.119385 0.193489 7C 2py -0.040076 -0.111033 -0.005760 -0.124114 0.122721 -0.266036 7C 3pz -0.034932 -0.170517 -0.131046 0.957273 0.147321 -1.133520 7C 3px -0.225305 -0.402107 -0.626823 0.458863 0.159415 -0.316559 7C 3py 0.164742 -0.265906 -0.628145 0.516042 -0.449952 0.722996 7C 1dz2 -0.002674 -0.003904 -0.009431 0.007810 0.002593 -0.003481 7C 1dxz -0.000781 0.002320 0.000609 -0.002162 0.012727 -0.000582 7C 1dyz -0.000557 -0.001499 -0.006003 0.007120 0.007045 0.000117 7C 1dx2y2 0.001374 0.002740 0.008096 -0.005283 -0.006850 0.000665 7C 1dxy 0.001680 0.002728 0.006701 -0.002830 0.004889 -0.000403 7C 2dz2 -0.010194 -0.155840 -0.188512 0.012118 0.056325 -0.072407 7C 2dxz -0.003257 -0.017218 0.024996 0.094748 0.076093 -0.052059 7C 2dyz -0.009574 -0.163866 -0.221130 0.051622 0.051401 0.016973 7C 2dx2y2 0.019168 0.077952 0.127171 -0.027178 -0.046139 -0.021703 7C 2dxy -0.000748 0.011759 0.027412 0.018899 0.017770 -0.003186 7C 1f0 0.000321 -0.000079 -0.003126 -0.000139 -0.002284 0.003497 7C 1f+1 0.000097 -0.000178 -0.001920 0.002838 -0.001252 -0.000422 7C 1f-1 -0.000933 -0.010967 -0.012627 0.003776 0.005053 -0.000106 7C 1f+2 -0.000355 0.005463 0.010138 0.000059 -0.000813 0.003416 7C 1f-2 0.000901 -0.006297 -0.008731 -0.001114 -0.000502 0.004792 7C 1f+3 -0.000913 -0.001180 0.003094 0.005129 0.001582 -0.002715 7C 1f-3 0.001257 0.004987 0.005385 0.006372 -0.001708 0.000926 8C 1s -0.004485 0.007977 -0.006585 -0.016658 -0.000809 -0.006086 8C 2s -0.017229 0.012033 -0.013122 -0.034680 -0.002739 -0.013793 8C 3s 0.290775 0.187398 -0.033407 -0.033168 0.037393 0.033366 8C 4s -1.616125 -1.510963 0.472415 0.885866 -0.203734 0.025879 8C 5s 3.450006 3.671629 -2.257528 -3.530900 0.841673 -0.219011 8C 1pz -0.075010 -0.033867 0.010371 0.000228 -0.030803 -0.012835 8C 1px -0.083240 -0.034893 0.006504 -0.064180 -0.018700 -0.015900 8C 1py 0.193010 0.070955 -0.011676 0.007621 0.032060 0.045404 8C 2pz 0.114754 0.057327 0.048699 0.085164 -0.051220 0.004426 8C 2px -0.082929 -0.060375 0.007288 -0.287093 -0.025203 -0.022108 8C 2py 0.066957 -0.031961 -0.065959 -0.131347 0.021776 -0.004379 8C 3pz 0.584200 0.387176 -0.085971 -0.111032 0.322200 -0.425296 8C 3px 0.645595 0.382197 0.073315 0.596583 -0.024364 -0.128438 8C 3py -1.608711 -0.870202 -0.106426 -0.274729 0.040271 -0.667211 8C 1dz2 0.000924 0.000178 -0.001014 -0.002255 0.001380 -0.002473 8C 1dxz -0.000513 0.000983 0.001710 0.005351 0.000188 -0.001525 8C 1dyz 0.005017 0.002456 0.001778 0.003588 -0.000616 0.002373 8C 1dx2y2 0.001519 0.001406 0.000923 0.002857 0.000895 -0.001397 8C 1dxy 0.001546 -0.000033 -0.000996 -0.003294 0.002046 0.000601 8C 2dz2 0.052182 0.016934 -0.009868 -0.013595 0.025887 -0.036179 8C 2dxz -0.077919 -0.038425 -0.006149 -0.024830 -0.009867 -0.047694 8C 2dyz 0.181818 0.082400 0.005981 0.062086 0.014672 0.092039 8C 2dx2y2 0.139243 0.070884 0.000896 0.043171 0.034944 -0.017803 8C 2dxy 0.141714 0.053840 -0.004718 -0.023760 0.028704 0.027300 8C 1f0 -0.010926 -0.002756 -0.000608 -0.002700 -0.001561 0.000081 8C 1f+1 -0.000471 0.000475 -0.000861 -0.004854 0.000738 0.000645 8C 1f-1 0.004498 0.004063 -0.002559 -0.007383 0.000531 -0.003219 8C 1f+2 -0.025897 -0.020038 0.005513 0.005454 -0.003087 -0.001716 8C 1f-2 -0.019909 -0.014260 0.004119 0.008917 -0.003154 -0.001776 8C 1f+3 0.013727 0.007947 -0.000530 0.002335 0.001878 0.005013 8C 1f-3 -0.002601 -0.000738 0.000200 0.000125 -0.001090 -0.002314 9C 1s 0.000487 -0.003759 0.004671 -0.022398 -0.013103 0.009070 9C 2s 0.001317 -0.002213 0.016568 -0.046660 -0.029132 0.018669 9C 3s -0.014307 -0.218902 -0.247901 -0.033258 0.043932 0.023072 9C 4s 0.063307 1.520297 1.354869 1.150773 0.281493 -0.517641 9C 5s -0.125018 -3.735810 -2.852744 -4.942796 -0.655307 2.283148 9C 1pz 0.011670 0.110967 0.155330 -0.043088 -0.098184 -0.012575 9C 1px 0.012460 0.035287 0.079655 -0.048501 0.003023 0.012125 9C 1py 0.020591 0.073523 0.097502 -0.026913 -0.044564 0.018690 9C 2pz -0.009489 -0.015405 -0.011401 0.059915 -0.143612 -0.092726 9C 2px 0.059140 0.083315 0.217017 -0.208395 0.129564 0.064591 9C 2py 0.047834 0.002110 -0.006415 0.046128 0.035605 0.004422 9C 3pz -0.044887 -0.974255 -1.406985 0.346505 0.306521 0.279101 9C 3px -0.029575 -0.309172 -0.653665 0.412195 -0.514026 0.092937 9C 3py -0.201831 -0.664372 -0.658569 0.425726 0.265678 -0.778010 9C 1dz2 0.000641 0.002103 0.001822 -0.001759 0.000159 0.002957 9C 1dxz -0.000383 -0.001047 -0.001919 0.002924 -0.003977 0.000392 9C 1dyz 0.000317 0.002638 0.004651 -0.002137 -0.000722 -0.000759 9C 1dx2y2 0.000814 0.000478 0.000130 -0.000272 0.000706 0.003011 9C 1dxy -0.000282 -0.000080 -0.000444 0.000473 -0.003628 -0.000275 9C 2dz2 0.022248 0.094050 0.113383 -0.082602 -0.057470 0.071517 9C 2dxz 0.007822 0.054277 0.067651 0.002780 -0.076950 0.045645 9C 2dyz 0.011324 0.138589 0.195933 -0.060994 -0.085484 -0.017711 9C 2dx2y2 -0.003048 -0.050566 -0.073433 0.024624 -0.003259 0.026989 9C 2dxy 0.005135 0.022654 0.045129 0.016643 -0.039325 -0.011477 9C 1f0 -0.000063 -0.004705 -0.003457 -0.001345 0.003059 0.000677 9C 1f+1 -0.000352 -0.004355 -0.004983 -0.002587 0.002608 0.001945 9C 1f-1 -0.002547 -0.019092 -0.023211 0.002235 0.003761 0.000341 9C 1f+2 0.000322 0.014848 0.013440 0.007578 -0.001734 -0.005087 9C 1f-2 -0.001418 -0.014910 -0.015655 -0.008523 0.001217 0.002217 9C 1f+3 0.000363 0.005891 0.003126 0.009084 0.006950 -0.005814 9C 1f-3 0.001210 0.002068 0.003203 0.000411 0.002961 0.001050 10H 1s -0.008685 0.013243 -0.023423 0.025708 0.022811 0.012158 10H 2s -0.102645 0.116746 -0.250901 0.292031 0.186609 0.194009 10H 3s 0.172473 1.211153 -0.682546 -1.367085 -0.745701 -0.708766 10H 1pz -0.002400 -0.010785 0.006303 0.009801 0.004321 0.008639 10H 1px 0.005147 0.008936 0.000345 -0.023165 -0.007056 -0.014646 10H 1py -0.000472 -0.005142 0.005761 0.004999 -0.002803 0.007913 11H 1s 0.001192 -0.000878 0.006195 -0.004681 -0.008733 0.016255 11H 2s 0.047165 -0.075441 0.103847 -0.082228 -0.022705 -0.030743 11H 3s -0.113187 1.650879 -1.655985 -0.633909 0.322618 -0.761148 11H 1pz 0.003746 -0.019303 0.013848 0.001675 0.006882 -0.013074 11H 1px 0.003314 -0.017561 0.016434 0.003930 0.000106 -0.002869 11H 1py 0.001495 0.007252 -0.006731 -0.004797 0.006723 -0.010964 12H 1s 0.009613 -0.003525 0.000545 0.002385 -0.015993 -0.015410 12H 2s 0.109389 -0.092052 0.090334 0.071547 -0.251087 0.003498 12H 3s -0.290029 1.702127 -1.384440 -0.694953 0.517310 -0.103029 12H 1pz -0.002705 0.000499 0.002593 -0.003964 0.004597 0.011612 12H 1px 0.003443 -0.013157 0.012663 0.004114 -0.004785 0.002114 12H 1py 0.003835 -0.023682 0.021680 0.015296 -0.014215 0.017123 13H 1s 0.014472 -0.011941 0.011219 0.040390 0.011562 -0.005677 13H 2s 0.143337 -0.094281 0.110424 0.431952 0.080085 -0.013272 13H 3s 1.245588 -1.034556 -0.681039 -1.481663 -0.547843 -0.030869 13H 1pz -0.009775 0.009880 0.006029 0.012654 0.001821 0.006722 13H 1px 0.005724 -0.006282 -0.009963 -0.026033 -0.004563 0.002662 13H 1py 0.010049 -0.007178 -0.002993 -0.006564 0.000159 -0.002290 14H 1s 0.006179 0.004341 -0.002243 -0.019135 0.003062 -0.017726 14H 2s -0.002624 0.099280 -0.008013 -0.224082 -0.014034 -0.022759 14H 3s 1.517341 -1.489317 -0.508953 -0.083913 -0.127460 0.256101 14H 1pz -0.011776 0.011920 0.003422 0.000094 -0.001937 0.010392 14H 1px -0.021854 0.021696 0.004554 -0.004089 0.000840 0.004772 14H 1py 0.005399 0.000098 -0.000273 -0.003037 0.001656 -0.014174 15H 1s -0.003495 -0.000472 -0.000125 0.001483 -0.007792 0.012683 15H 2s -0.116118 0.047602 0.041725 0.095158 -0.014844 -0.076484 15H 3s 1.862954 -1.432788 -0.497482 -0.474980 0.024000 -0.268570 15H 1pz 0.013230 -0.011083 -0.002633 -0.006654 0.003322 -0.004486 15H 1px -0.009238 0.006011 0.001234 0.000479 0.004235 -0.006121 15H 1py 0.025859 -0.019013 -0.010259 -0.015544 -0.008471 0.018755 16H 1s 0.003000 0.002654 -0.028852 -0.012532 -0.052080 0.007621 16H 2s -0.001715 0.053380 -0.433374 -0.274021 -0.636821 0.067267 16H 3s 0.029722 -0.047316 0.163121 0.247134 0.204088 -0.189110 16H 1pz 0.000453 0.004500 -0.022221 -0.025350 -0.023592 0.008375 16H 1px 0.003849 -0.001369 0.009767 0.007729 0.003774 -0.000876 16H 1py -0.000920 0.000837 -0.011154 -0.004072 -0.019276 -0.005144 17H 1s -0.014551 -0.002141 -0.022062 0.022121 -0.046188 -0.045411 17H 2s -0.180504 -0.060066 -0.221588 0.268975 -0.677528 -0.605878 17H 3s 0.100351 0.054283 -0.061824 -0.276258 0.251045 0.377384 17H 1pz 0.003452 0.002096 0.002895 -0.010492 0.012931 0.017159 17H 1px 0.006334 0.005749 -0.000194 -0.016270 0.027312 0.026417 17H 1py -0.005451 -0.002263 -0.010597 0.004210 -0.026148 -0.016531 18H 1s 0.013004 -0.003811 0.022544 -0.017336 -0.047242 -0.043081 18H 2s 0.165088 -0.078301 0.229141 -0.193667 -0.684960 -0.569130 18H 3s -0.103998 0.043882 0.056995 0.245795 0.260521 0.356768 18H 1pz 0.003327 -0.002322 0.003399 -0.009175 -0.014229 -0.016509 18H 1px 0.006471 -0.005695 0.000269 -0.012903 -0.027868 -0.024660 18H 1py -0.004808 0.003270 -0.010842 0.000970 0.025535 0.014714 19H 1s -0.005066 -0.000538 0.028152 0.017750 -0.050725 0.007781 19H 2s -0.034030 0.006887 0.424224 0.338504 -0.608621 0.076633 19H 3s -0.009570 -0.025235 -0.156239 -0.267092 0.187093 -0.183506 19H 1pz 0.002521 -0.002057 -0.021345 -0.027386 0.020880 -0.008873 19H 1px 0.002954 0.000397 0.009778 0.008306 -0.003465 0.001071 19H 1py 0.000136 0.000118 -0.011427 -0.006693 0.019060 0.004254 20H 1s 0.003980 0.000042 -0.000214 -0.000991 -0.007754 0.012624 20H 2s 0.126992 0.056937 -0.035722 -0.084578 -0.017871 -0.078969 20H 3s -1.918955 -1.471312 0.403202 0.457436 0.003139 -0.313384 20H 1pz 0.013800 0.011502 -0.002057 -0.006273 -0.003481 0.004746 20H 1px -0.009669 -0.006209 0.000736 0.000508 -0.004543 0.005572 20H 1py 0.026935 0.019806 -0.008329 -0.015005 0.008005 -0.018805 21H 1s -0.006258 0.004158 0.002639 0.020216 0.006013 -0.014158 21H 2s 0.000443 0.098225 0.011544 0.232406 0.021533 0.023824 21H 3s -1.567346 -1.520518 0.403705 0.052324 -0.201712 0.148294 21H 1pz -0.012019 -0.012207 0.002934 0.000209 0.001330 -0.011513 21H 1px -0.022217 -0.021851 0.003337 -0.004213 -0.002473 -0.007370 21H 1py 0.005437 -0.000125 -0.000486 -0.003649 -0.002192 0.013529 22H 1s -0.015066 -0.010711 -0.011880 -0.042055 0.007022 -0.008723 22H 2s -0.146871 -0.082364 -0.115605 -0.448090 0.031805 -0.050523 22H 3s -1.272810 -1.084391 0.608567 1.545331 -0.433742 0.019263 22H 1pz -0.009866 -0.010205 0.005461 0.013191 -0.000878 -0.006176 22H 1px 0.005890 0.007223 -0.009450 -0.026637 0.002241 -0.004115 22H 1py 0.010625 0.007390 -0.002500 -0.006808 -0.000627 0.001464 23H 1s -0.006336 -0.003082 -0.000139 0.000045 -0.014768 -0.015090 23H 2s -0.074523 -0.079198 -0.094433 -0.046126 -0.241626 0.002149 23H 3s 0.225866 1.581958 1.509509 0.654839 0.552170 -0.052514 23H 1pz -0.001726 -0.000694 0.002855 -0.002882 -0.004497 -0.011644 23H 1px 0.002596 0.011777 0.013386 0.003634 0.004729 -0.001708 23H 1py 0.002931 0.021777 0.024004 0.014751 0.015127 -0.015880 24H 1s 0.000069 -0.000370 -0.006626 0.004760 -0.008371 0.018087 24H 2s -0.030027 -0.068549 -0.108034 0.085583 -0.019227 -0.013027 24H 3s 0.087933 1.513758 1.794487 0.642318 0.379783 -0.725001 24H 1pz 0.003437 0.018227 0.014792 0.001741 -0.006111 0.013597 24H 1px 0.002634 0.016488 0.017869 0.003888 0.000493 0.003119 24H 1py 0.001780 -0.006409 -0.007294 -0.004659 -0.007057 0.011471 25H 1s 0.005111 0.011707 0.023875 -0.027572 0.018748 0.010023 25H 2s 0.062803 0.100315 0.252534 -0.309826 0.144024 0.169544 25H 3s -0.042417 1.146146 0.798234 1.453563 -0.569942 -0.567359 25H 1pz -0.001297 0.010261 0.007320 0.010705 -0.003192 -0.007770 25H 1px 0.002876 -0.008662 -0.000800 -0.024091 0.004140 0.012667 25H 1py -0.000283 0.004458 0.006294 0.004857 0.002999 -0.007225 26O 1s 0.001375 -0.002739 0.001895 -0.006020 0.001493 -0.000145 26O 2s 0.003218 -0.006967 0.005312 -0.014200 0.003526 -0.000316 26O 3s -0.003580 0.019220 -0.021969 0.010347 -0.005014 -0.001868 26O 4s -0.025716 -0.020801 0.054786 0.095358 -0.024520 0.016867 26O 5s 0.143306 -0.201641 0.252872 0.194845 0.076377 -0.095955 26O 1pz 0.009198 0.005087 -0.005300 0.000016 -0.071203 -0.000764 26O 1px 0.027437 -0.009059 0.050612 -0.084514 -0.002922 -0.031954 26O 1py -0.005283 0.009163 0.020729 -0.022259 -0.035061 -0.018519 26O 2pz 0.001742 0.009205 -0.008922 -0.018866 -0.092308 0.014899 26O 2px 0.014166 0.029089 0.007064 -0.127764 -0.012855 -0.028919 26O 2py 0.000112 0.042557 -0.002074 -0.047186 -0.024032 -0.037240 26O 3pz 0.029387 0.088862 -0.074965 0.174825 -0.033347 -0.136771 26O 3px 0.023049 0.143690 -0.062889 -0.229706 -0.126617 -0.158586 26O 3py -0.070315 0.032751 -0.055257 0.008809 -0.229466 -0.017793 26O 1dz2 -0.000055 -0.001777 0.000794 0.003442 -0.000446 0.000798 26O 1dxz -0.000173 0.001409 -0.003120 0.002285 -0.002977 0.001598 26O 1dyz 0.000181 -0.000187 -0.001083 0.000982 -0.001455 0.001186 26O 1dx2y2 -0.000301 0.000614 0.001790 -0.004133 0.000304 -0.000113 26O 1dxy -0.000011 0.001481 -0.002541 -0.003009 -0.001405 -0.002298 26O 2dz2 -0.008143 0.007075 -0.017630 -0.004764 -0.006095 -0.009970 26O 2dxz -0.000033 -0.005468 0.003607 0.009658 -0.009048 0.001549 26O 2dyz 0.004320 0.002827 -0.000632 0.003484 -0.018558 -0.001152 26O 2dx2y2 -0.001788 -0.006773 0.013422 -0.004148 0.016087 -0.006364 26O 2dxy 0.004943 -0.007588 0.014316 0.006435 0.001186 -0.003294 26O 1f0 -0.000521 -0.000071 -0.000711 0.000557 -0.000470 -0.000121 26O 1f+1 0.000194 -0.000301 0.001122 0.000913 0.000901 0.000654 26O 1f-1 0.000039 -0.000467 0.000796 0.001182 -0.000377 0.000316 26O 1f+2 -0.000091 0.000239 -0.000006 -0.001262 0.000630 0.000254 26O 1f-2 -0.000042 -0.000181 0.000824 -0.000452 0.000488 -0.000039 26O 1f+3 -0.000083 -0.000182 0.000320 -0.000291 0.000789 -0.000704 26O 1f-3 0.000278 -0.000163 0.000584 0.001141 0.000752 0.000445 27O 1s -0.001094 0.002750 -0.001768 -0.004088 -0.001696 0.003923 27O 2s -0.002842 0.007153 -0.004081 -0.010277 -0.003974 0.009370 27O 3s 0.007784 -0.021704 0.002838 0.019882 0.003508 -0.012926 27O 4s -0.038357 0.029619 0.031254 0.024697 0.027193 -0.053887 27O 5s 0.118143 0.177526 -0.080653 -0.165572 -0.049421 0.143222 27O 1pz 0.008449 -0.007585 -0.028194 -0.018251 0.006093 -0.005399 27O 1px -0.029343 -0.003046 -0.025459 -0.093980 -0.007750 0.014334 27O 1py 0.004483 -0.009618 -0.004365 0.020708 0.024355 0.028812 27O 2pz 0.015220 -0.016713 -0.019285 -0.030109 0.019227 -0.026778 27O 2px -0.005274 -0.043769 -0.023563 -0.100748 0.001532 0.007656 27O 2py -0.001142 -0.002887 -0.010464 0.036540 0.032843 0.006999 27O 3pz 0.012061 0.023512 -0.053169 0.116604 -0.094646 0.058878 27O 3px -0.185277 -0.166855 0.014609 0.101867 -0.081955 -0.145450 27O 3py -0.009302 0.105268 0.023179 -0.186572 0.019010 0.262194 27O 1dz2 0.000407 0.000340 0.000632 0.000518 0.000059 0.000082 27O 1dxz 0.003371 0.000359 0.000830 0.002290 -0.001201 -0.003709 27O 1dyz -0.000094 -0.001110 -0.000326 0.000016 0.000751 0.000594 27O 1dx2y2 -0.001785 -0.002094 -0.000226 -0.000330 0.000170 -0.000960 27O 1dxy -0.003897 0.000826 0.000997 0.000105 0.001971 -0.000517 27O 2dz2 -0.001872 -0.003511 0.005433 0.005074 -0.002736 0.004285 27O 2dxz 0.003251 0.003380 0.001739 -0.000203 -0.001861 -0.003266 27O 2dyz -0.008219 0.002425 -0.002329 0.006482 0.002429 0.001310 27O 2dx2y2 -0.002517 0.008590 -0.002076 -0.021560 -0.001754 0.014180 27O 2dxy -0.004633 -0.008349 0.000932 0.006022 0.003400 -0.003666 27O 1f0 0.000560 -0.000158 -0.000139 -0.000503 -0.000335 0.000415 27O 1f+1 0.000811 0.000184 -0.000034 -0.000343 0.000118 0.000158 27O 1f-1 -0.000371 -0.000363 -0.000185 0.000396 0.000100 0.000178 27O 1f+2 -0.000087 -0.000412 -0.000016 -0.000441 0.000315 0.000263 27O 1f-2 0.000772 -0.000261 -0.000545 -0.000858 -0.000338 0.000257 27O 1f+3 -0.000436 0.000269 0.000237 -0.000369 0.000435 0.000995 27O 1f-3 -0.001262 -0.000507 0.000211 -0.000193 0.000239 0.000161 28O 1s -0.001155 0.000045 0.001949 -0.003383 0.007679 -0.002574 28O 2s -0.002497 -0.000487 0.004829 -0.008089 0.018364 -0.006386 28O 3s -0.001561 0.011820 -0.007737 0.011321 -0.022282 0.012485 28O 4s 0.037868 -0.083829 0.025456 0.033878 -0.120950 0.010154 28O 5s -0.093383 0.446118 -0.673140 -0.121266 0.207757 -0.024246 28O 1pz 0.003049 0.018437 0.001293 0.028561 0.049269 0.008081 28O 1px 0.014263 -0.042644 0.014545 0.068269 -0.079914 0.015280 28O 1py -0.027950 0.015350 -0.007691 0.022934 -0.005170 0.039849 28O 2pz -0.005631 0.023088 0.008633 0.068101 0.047509 0.020915 28O 2px 0.014409 -0.052634 0.010856 0.066734 -0.075099 0.022033 28O 2py -0.028125 0.022665 -0.020379 0.028624 0.005683 0.041019 28O 3pz 0.024406 -0.003428 0.226460 -0.082914 0.001459 0.041448 28O 3px 0.059108 0.110427 -0.358963 -0.116069 -0.065669 -0.109416 28O 3py -0.006094 -0.003273 0.103368 0.028357 -0.072684 0.124404 28O 1dz2 -0.001208 0.002698 -0.003664 0.002219 -0.001145 0.001918 28O 1dxz 0.000777 -0.002521 -0.000595 0.000687 -0.002013 -0.000652 28O 1dyz -0.000260 0.000522 -0.002169 0.002458 -0.000752 -0.001577 28O 1dx2y2 -0.000144 -0.001247 0.004015 -0.001582 0.002507 -0.000387 28O 1dxy -0.000302 -0.001783 0.002217 -0.001140 -0.000566 0.001985 28O 2dz2 -0.008067 0.007018 -0.013148 0.008769 0.003082 -0.002006 28O 2dxz -0.001030 -0.015196 0.021769 0.008015 -0.016092 -0.001476 28O 2dyz -0.001141 0.006346 -0.010906 0.012040 0.011482 0.009246 28O 2dx2y2 -0.001900 0.009628 -0.011975 -0.015924 0.015332 -0.014001 28O 2dxy 0.000762 -0.002283 0.008671 -0.000453 0.002833 0.005662 28O 1f0 0.000010 0.000208 0.000166 -0.000775 0.000275 0.000304 28O 1f+1 -0.000268 0.000685 -0.002004 0.000274 -0.000467 -0.000356 28O 1f-1 0.000067 -0.000523 0.001023 -0.000034 0.000038 0.000269 28O 1f+2 -0.000536 -0.000504 0.000939 0.000349 -0.000747 0.000030 28O 1f-2 -0.000121 0.000482 -0.001122 0.000475 -0.000642 0.000293 28O 1f+3 -0.000027 -0.000443 0.000319 0.000646 -0.000835 0.000352 28O 1f-3 0.000240 -0.000041 -0.000271 -0.000028 -0.000516 0.000111 29O 1s -0.002712 -0.001134 -0.005483 0.004203 -0.008921 -0.002088 29O 2s -0.006196 -0.002426 -0.012128 0.009757 -0.019574 -0.004172 29O 3s 0.002019 -0.001292 -0.005875 -0.008067 -0.014792 -0.012562 29O 4s 0.054930 0.036129 0.145090 -0.091920 0.247408 0.084583 29O 5s 0.046430 -0.034180 0.117983 0.117595 0.212352 0.082092 29O 1pz 0.013434 -0.000725 -0.016356 -0.001008 -0.012023 0.040168 29O 1px 0.008900 0.003011 -0.002687 -0.001216 -0.011086 0.011108 29O 1py -0.016696 -0.001237 -0.049483 0.014782 -0.097237 -0.044005 29O 2pz 0.024180 0.005252 -0.036776 -0.034932 -0.019916 0.101308 29O 2px 0.023589 0.010444 -0.017167 -0.029346 -0.032907 0.013399 29O 2py -0.026670 0.004120 -0.108086 0.026884 -0.238206 -0.110483 29O 3pz 0.058112 0.055111 -0.162658 -0.230031 -0.116105 0.106729 29O 3px 0.007915 -0.001202 0.187670 0.002831 0.483199 0.316522 29O 3py -0.053430 -0.036449 -0.049052 -0.032148 -0.035354 -0.021746 29O 1dz2 -0.000025 0.000602 -0.003813 -0.002765 -0.006632 -0.000357 29O 1dxz -0.001091 -0.000339 -0.002004 0.001594 -0.004508 -0.004107 29O 1dyz 0.001342 0.001016 -0.001837 -0.004608 -0.000248 0.004633 29O 1dx2y2 -0.000153 -0.000048 0.000445 0.001461 0.000590 -0.000100 29O 1dxy 0.000625 -0.000082 0.001686 -0.001399 0.005382 0.004451 29O 2dz2 -0.002178 -0.003486 0.008795 0.011655 0.001303 -0.011037 29O 2dxz 0.001584 0.003264 -0.008958 -0.011666 0.007184 0.013817 29O 2dyz -0.000680 -0.002121 0.007762 0.013305 0.001291 -0.010756 29O 2dx2y2 0.002458 0.001310 -0.006375 -0.004068 -0.002303 0.005365 29O 2dxy -0.006977 -0.003049 -0.005534 0.001829 -0.016938 -0.013587 29O 1f0 -0.000338 0.000021 -0.002119 -0.000666 -0.003252 -0.000676 29O 1f+1 0.000428 0.000263 0.000054 -0.000738 0.001433 0.001547 29O 1f-1 -0.000510 0.000114 -0.002611 -0.001294 -0.003657 -0.000531 29O 1f+2 0.000239 -0.000078 0.001230 0.000564 0.001121 0.000022 29O 1f-2 -0.000958 -0.000564 -0.000391 0.001532 -0.002996 -0.002887 29O 1f+3 0.000508 0.000295 0.000191 -0.000834 0.001131 0.001073 29O 1f-3 0.000319 0.000233 0.000160 -0.000738 0.001378 0.001391 30O 1s -0.002448 -0.001572 -0.000740 -0.001309 0.004036 0.002953 30O 2s -0.006536 -0.003204 -0.001539 -0.002386 0.009953 0.007226 30O 3s 0.018700 -0.006385 -0.002917 -0.009778 -0.020676 -0.014348 30O 4s -0.058266 0.095398 0.032695 0.058350 -0.046223 -0.026570 30O 5s 0.533044 -0.352401 -0.129475 0.242186 0.524357 0.225682 30O 1pz 0.003196 -0.028437 -0.003488 0.045280 -0.014489 0.006384 30O 1px 0.002066 0.043985 0.002802 0.019490 -0.039004 -0.022125 30O 1py 0.014755 0.005957 -0.016246 -0.037287 -0.028291 -0.014076 30O 2pz 0.012014 -0.045228 0.002136 0.065106 -0.057383 -0.022807 30O 2px -0.005086 0.049213 0.010373 0.039617 -0.011201 -0.001071 30O 2py 0.023059 0.006406 0.003574 -0.037814 -0.010259 -0.008101 30O 3pz -0.169498 0.098266 -0.077848 -0.294959 -0.052771 0.045921 30O 3px 0.279866 -0.054142 0.013140 0.081943 0.223648 0.081050 30O 3py 0.074098 -0.018370 -0.083272 0.141302 0.143045 0.110921 30O 1dz2 0.002167 -0.000832 0.000600 0.000590 0.002471 -0.001019 30O 1dxz 0.001356 0.000599 0.001826 0.002849 -0.000505 0.001583 30O 1dyz -0.002237 0.001414 0.000647 -0.001346 0.000128 0.001151 30O 1dx2y2 -0.005457 0.001874 -0.001012 -0.003174 -0.000188 0.001392 30O 1dxy 0.000949 -0.002306 -0.001533 -0.001700 -0.001538 0.000427 30O 2dz2 -0.000421 0.001274 0.004858 -0.003240 -0.008552 0.002850 30O 2dxz -0.008237 0.010105 0.000214 -0.014999 -0.022677 -0.003277 30O 2dyz -0.013163 0.010994 -0.001242 -0.017096 -0.015848 -0.014685 30O 2dx2y2 -0.002626 -0.004600 0.002626 -0.009352 0.004412 0.016147 30O 2dxy 0.008139 -0.010550 0.000941 0.009061 0.018348 0.013835 30O 1f0 0.001090 -0.000883 0.000058 0.000728 0.001123 0.000251 30O 1f+1 0.000262 -0.000102 0.000275 0.000094 -0.000298 0.000362 30O 1f-1 0.000615 -0.000152 -0.000199 0.000761 -0.000260 0.000412 30O 1f+2 0.000861 -0.000035 -0.000125 0.000265 -0.000743 -0.000641 30O 1f-2 -0.001321 0.000612 -0.000303 -0.001112 -0.001392 -0.000653 30O 1f+3 0.000751 0.000249 -0.000347 0.000524 0.000416 -0.000541 30O 1f-3 0.000138 0.000240 -0.000124 -0.000127 -0.001266 -0.000849 31O 1s 0.002533 -0.001744 0.000699 0.000702 0.004019 0.002489 31O 2s 0.006747 -0.003584 0.001486 0.000925 0.009900 0.006153 31O 3s -0.019225 -0.006569 0.002153 0.012067 -0.020538 -0.013943 31O 4s 0.058702 0.099752 -0.026762 -0.048819 -0.044516 -0.015738 31O 5s -0.535066 -0.354978 0.109726 -0.302038 0.492701 0.203998 31O 1pz 0.004456 0.028158 -0.001552 0.046131 0.020394 0.001028 31O 1px 0.000660 -0.045230 0.000768 0.013605 0.039135 0.015699 31O 1py 0.011424 -0.005354 -0.017789 -0.041264 0.023430 0.009679 31O 2pz 0.013229 0.044321 0.004695 0.061227 0.066862 0.034756 31O 2px -0.007086 -0.051513 0.008101 0.037178 0.011954 -0.006396 31O 2py 0.018249 -0.008318 0.001368 -0.040497 0.003163 0.001327 31O 3pz -0.160671 -0.084694 -0.074909 -0.292053 0.024455 -0.069924 31O 3px 0.273993 0.044495 0.012208 0.099583 -0.226354 -0.099207 31O 3py 0.067725 0.024815 -0.086388 0.155744 -0.126447 -0.101047 31O 1dz2 -0.002270 -0.000750 -0.000632 -0.000715 0.002468 -0.000831 31O 1dxz -0.001310 0.000872 -0.001777 -0.002829 -0.000626 0.001662 31O 1dyz 0.002296 0.001458 -0.000546 0.001307 0.000382 0.001303 31O 1dx2y2 0.005408 0.001640 0.001091 0.003160 0.000067 0.001313 31O 1dxy -0.001015 -0.002462 0.001326 0.001724 -0.001587 0.000152 31O 2dz2 0.000748 0.001623 -0.004902 0.004023 -0.008322 0.002876 31O 2dxz 0.008208 0.009841 0.000039 0.017165 -0.021549 -0.002548 31O 2dyz 0.013452 0.010579 0.002266 0.019543 -0.013972 -0.013766 31O 2dx2y2 0.003026 -0.004464 -0.003024 0.008313 0.005140 0.015599 31O 2dxy -0.007771 -0.010278 -0.001449 -0.011333 0.017684 0.013501 31O 1f0 0.001060 0.000849 0.000090 0.000840 -0.001060 -0.000229 31O 1f+1 0.000243 0.000065 0.000284 0.000070 0.000294 -0.000361 31O 1f-1 0.000640 0.000139 -0.000177 0.000746 0.000347 -0.000361 31O 1f+2 0.000857 0.000042 -0.000127 0.000172 0.000817 0.000687 31O 1f-2 -0.001296 -0.000541 -0.000332 -0.001249 0.001337 0.000711 31O 1f+3 0.000764 -0.000243 -0.000369 0.000520 -0.000412 0.000400 31O 1f-3 0.000172 -0.000209 -0.000130 -0.000267 0.001316 0.000914 32O 1s 0.002593 -0.001686 0.005390 -0.003280 -0.009285 -0.002145 32O 2s 0.005991 -0.003656 0.011930 -0.007726 -0.020431 -0.004339 32O 3s -0.003472 -0.001688 0.005731 0.009543 -0.013731 -0.011427 32O 4s -0.047919 0.049628 -0.141783 0.067002 0.255355 0.084825 32O 5s -0.038241 -0.019734 -0.121775 -0.142669 0.192185 0.059604 32O 1pz 0.013595 0.002959 -0.014330 -0.002484 0.010580 -0.039511 32O 1px 0.009414 -0.002591 -0.002069 -0.002214 0.010683 -0.010598 32O 1py -0.011789 0.005241 -0.048991 0.004800 0.098081 0.041929 32O 2pz 0.025154 0.000366 -0.032198 -0.037252 0.014409 -0.098667 32O 2px 0.027095 -0.008542 -0.015631 -0.031763 0.028996 -0.013917 32O 2py -0.015013 0.004724 -0.107906 0.001903 0.238713 0.103515 32O 3pz 0.078674 -0.041928 -0.153955 -0.236881 0.089706 -0.111344 32O 3px -0.014327 -0.015537 0.191400 0.054337 -0.476134 -0.293122 32O 3py -0.054841 0.043154 -0.052114 -0.045438 0.027480 0.007607 32O 1dz2 -0.000270 0.000166 0.003692 0.003241 -0.006350 -0.000411 32O 1dxz 0.000980 -0.000514 0.002039 -0.001184 -0.004592 -0.003925 32O 1dyz -0.001558 0.000791 0.001862 0.004664 -0.000146 0.004469 32O 1dx2y2 0.000244 -0.000008 -0.000464 -0.001637 0.000364 -0.000353 32O 1dxy -0.000427 0.000052 -0.001734 0.000758 0.005281 0.004013 32O 2dz2 0.002877 -0.002449 -0.008004 -0.010892 0.000612 -0.010148 32O 2dxz -0.002569 0.002502 0.008620 0.010874 0.008233 0.013816 32O 2dyz 0.001605 -0.001364 -0.007409 -0.013617 0.000083 -0.010812 32O 2dx2y2 -0.002759 0.000796 0.006425 0.004537 -0.002022 0.005503 32O 2dxy 0.006608 -0.003499 0.005914 0.000720 -0.016372 -0.011984 32O 1f0 -0.000164 0.000183 -0.001958 -0.000933 0.002940 0.000527 32O 1f+1 0.000461 -0.000289 0.000149 -0.000578 -0.001622 -0.001558 32O 1f-1 -0.000311 0.000163 -0.002635 -0.001698 0.003644 0.000458 32O 1f+2 0.000185 -0.000063 0.001313 0.000712 -0.001269 -0.000081 32O 1f-2 -0.000933 0.000589 -0.000395 0.001200 0.002976 0.002677 32O 1f+3 0.000471 -0.000290 0.000180 -0.000649 -0.001069 -0.000932 32O 1f-3 0.000290 -0.000245 0.000149 -0.000610 -0.001382 -0.001310 33O 1s 0.000205 0.000115 -0.002024 0.002563 0.007814 -0.002778 33O 2s 0.000223 -0.000314 -0.005046 0.006129 0.018658 -0.006939 33O 3s 0.004342 0.011523 0.008686 -0.008979 -0.022335 0.014078 33O 4s -0.024162 -0.081443 -0.029897 -0.021358 -0.123217 0.008198 33O 5s 0.067554 0.398512 0.705519 0.106599 0.205905 -0.008669 33O 1pz 0.009421 -0.019017 -0.000075 0.031694 -0.043253 -0.001437 33O 1px 0.005440 0.039657 0.016752 0.059842 0.082795 -0.015144 33O 1py -0.025769 -0.014173 -0.006889 0.023717 0.007901 -0.039252 33O 2pz 0.001536 -0.024266 0.007114 0.071239 -0.037768 -0.010225 33O 2px 0.007406 0.049425 0.013801 0.058872 0.077876 -0.021462 33O 2py -0.024898 -0.019768 -0.019718 0.030672 -0.001371 -0.039659 33O 3pz 0.022909 -0.011963 0.230433 -0.086839 -0.017248 -0.063290 33O 3px 0.044127 -0.085182 -0.372863 -0.127185 0.058679 0.098179 33O 3py -0.012558 -0.010303 0.105668 0.022146 0.065567 -0.131945 33O 1dz2 0.001042 0.002460 0.003769 -0.002170 -0.001319 0.002076 33O 1dxz -0.000547 -0.002525 0.000478 -0.000486 -0.002060 -0.000732 33O 1dyz 0.000219 0.000405 0.002269 -0.002261 -0.000999 -0.001714 33O 1dx2y2 0.000053 -0.000988 -0.004126 0.001322 0.002642 -0.000461 33O 1dxy 0.000262 -0.001681 -0.002447 0.001013 -0.000485 0.002007 33O 2dz2 0.007474 0.006062 0.013696 -0.008524 0.002214 -0.002506 33O 2dxz 0.002842 -0.013609 -0.022807 -0.006264 -0.015607 -0.001170 33O 2dyz -0.000259 0.005723 0.011073 -0.013078 0.010078 0.008820 33O 2dx2y2 0.000960 0.008321 0.012961 0.015101 0.015821 -0.014509 33O 2dxy -0.000891 -0.001670 -0.009124 -0.000127 0.002987 0.005587 33O 1f0 0.000014 -0.000213 0.000150 -0.000718 -0.000335 -0.000343 33O 1f+1 -0.000285 -0.000540 -0.002069 0.000195 0.000497 0.000339 33O 1f-1 0.000015 0.000442 0.001064 -0.000039 -0.000085 -0.000305 33O 1f+2 -0.000524 0.000449 0.000991 0.000285 0.000754 -0.000003 33O 1f-2 -0.000092 -0.000420 -0.001155 0.000412 0.000685 -0.000300 33O 1f+3 -0.000036 0.000402 0.000359 0.000576 0.000852 -0.000385 33O 1f-3 0.000200 0.000047 -0.000275 -0.000067 0.000488 -0.000162 34O 1s 0.001103 0.002526 0.001925 0.004200 -0.001383 0.003707 34O 2s 0.002858 0.006621 0.004483 0.010561 -0.003169 0.008849 34O 3s -0.007782 -0.021170 -0.003980 -0.020573 0.001738 -0.012138 34O 4s 0.038847 0.032180 -0.029678 -0.024756 0.026720 -0.051906 34O 5s -0.128167 0.177808 0.085248 0.181547 -0.037946 0.161230 34O 1pz 0.009705 0.009848 -0.027446 -0.018661 -0.009257 -0.001586 34O 1px -0.027899 0.006167 -0.025175 -0.095661 -0.002022 -0.017114 34O 1py 0.005761 0.009851 -0.003251 0.025137 -0.020581 -0.025254 34O 2pz 0.017548 0.018394 -0.018425 -0.029846 -0.024121 0.017681 34O 2px -0.002671 0.047082 -0.020597 -0.099676 -0.012501 -0.011252 34O 2py 0.000137 0.003438 -0.010579 0.039904 -0.027156 -0.002974 34O 3pz 0.009178 -0.021354 -0.053623 0.105010 0.109886 -0.044357 34O 3px -0.191670 0.170451 0.015302 0.092563 0.086842 0.147337 34O 3py -0.005260 -0.106551 0.026591 -0.168947 -0.038162 -0.263004 34O 1dz2 -0.000352 0.000428 -0.000614 -0.000543 -0.000015 0.000074 34O 1dxz -0.003328 0.000521 -0.000754 -0.001986 -0.001402 -0.003744 34O 1dyz 0.000053 -0.001148 0.000254 -0.000098 0.000715 0.000518 34O 1dx2y2 0.001875 -0.002201 0.000184 0.000314 0.000209 -0.001083 34O 1dxy 0.003999 0.000831 -0.000862 -0.000309 0.001930 -0.000832 34O 2dz2 0.001610 -0.003209 -0.005808 -0.005735 -0.003266 0.003651 34O 2dxz -0.003293 0.003598 -0.001629 0.000568 -0.001558 -0.002202 34O 2dyz 0.008275 0.002212 0.002357 -0.007122 0.001731 0.000797 34O 2dx2y2 0.002095 0.008315 0.002175 0.021535 -0.000078 0.014209 34O 2dxy 0.004650 -0.008539 -0.001220 -0.006975 0.002732 -0.004681 34O 1f0 0.000583 0.000168 -0.000103 -0.000493 0.000302 -0.000459 34O 1f+1 0.000829 -0.000203 -0.000026 -0.000352 -0.000131 -0.000156 34O 1f-1 -0.000413 0.000372 -0.000170 0.000430 -0.000068 -0.000141 34O 1f+2 -0.000090 0.000421 0.000005 -0.000379 -0.000346 -0.000203 34O 1f-2 0.000784 0.000304 -0.000509 -0.000859 0.000267 -0.000316 34O 1f+3 -0.000447 -0.000296 0.000241 -0.000320 -0.000460 -0.000986 34O 1f-3 -0.001275 0.000524 0.000220 -0.000121 -0.000279 -0.000134 35O 1s -0.001001 -0.002650 -0.002060 0.005806 0.001952 -0.000156 35O 2s -0.002280 -0.006680 -0.005736 0.013696 0.004664 -0.000279 35O 3s 0.001258 0.017355 0.023251 -0.009635 -0.006739 -0.002741 35O 4s 0.020874 -0.015233 -0.057520 -0.092775 -0.028307 0.020605 35O 5s -0.049638 -0.170402 -0.256421 -0.196346 0.069684 -0.104998 35O 1pz 0.005754 -0.005493 -0.006091 -0.006412 0.068118 -0.004819 35O 1px 0.022644 0.006258 0.050794 -0.084180 -0.005949 0.027711 35O 1py -0.011452 -0.010501 0.018806 -0.026679 0.030581 0.017513 35O 2pz 0.000807 -0.009458 -0.009503 -0.025942 0.085848 -0.023955 35O 2px 0.016643 -0.027540 0.005383 -0.128111 0.000424 0.021807 35O 2py -0.002988 -0.041724 -0.006794 -0.052496 0.017936 0.037306 35O 3pz 0.005984 -0.082390 -0.086295 0.164212 0.059657 0.157705 35O 3px 0.055895 -0.130268 -0.073963 -0.241397 0.122178 0.167995 35O 3py -0.066518 -0.024933 -0.057315 -0.006101 0.235342 0.010365 35O 1dz2 0.000149 -0.001620 -0.000907 -0.003360 -0.000616 0.000830 35O 1dxz 0.000614 0.001234 0.003238 -0.001959 -0.003079 0.001699 35O 1dyz -0.000080 -0.000230 0.001034 -0.000861 -0.001467 0.001234 35O 1dx2y2 0.000067 0.000668 -0.001748 0.004043 0.000565 -0.000184 35O 1dxy 0.000049 0.001229 0.002692 0.003239 -0.001202 -0.002112 35O 2dz2 0.006840 0.005364 0.018329 0.005867 -0.006240 -0.010373 35O 2dxz 0.001805 -0.004880 -0.003816 -0.008515 -0.009368 0.001654 35O 2dyz -0.002041 0.003166 0.001129 -0.001760 -0.018147 -0.000319 35O 2dx2y2 0.003893 -0.005773 -0.013573 0.002743 0.016879 -0.005822 35O 2dxy -0.001051 -0.006052 -0.014427 -0.006334 0.001595 -0.002938 35O 1f0 -0.000604 0.000120 -0.000717 0.000486 0.000480 0.000079 35O 1f+1 0.000045 0.000183 0.001134 0.001017 -0.000841 -0.000619 35O 1f-1 -0.000102 0.000378 0.000823 0.001155 0.000464 -0.000263 35O 1f+2 -0.000004 -0.000216 -0.000006 -0.001163 -0.000727 -0.000274 35O 1f-2 0.000016 0.000150 0.000846 -0.000382 -0.000471 0.000114 35O 1f+3 -0.000139 0.000182 0.000314 -0.000244 -0.000810 0.000670 35O 1f-3 0.000044 0.000068 0.000577 0.001204 -0.000718 -0.000476 186 187 188 189 190 191 0.40488 0.40659 0.41097 0.41291 0.41363 0.42049 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s -0.001513 0.000361 -0.001825 0.001771 -0.000027 -0.000475 0Rh 2s 0.006614 -0.001273 0.006933 -0.005903 0.000111 0.002041 0Rh 3s -0.004718 0.001315 -0.006335 0.006658 -0.000087 -0.001501 0Rh 4s -0.029831 0.005627 -0.030849 0.025891 -0.000366 -0.009202 0Rh 5s 0.032586 -0.004077 0.025865 -0.014678 -0.001701 0.009855 0Rh 6s 0.019653 -0.011823 0.051994 -0.072036 0.013532 0.006695 0Rh 7s 0.091443 0.227874 -0.030937 0.194058 0.248327 -0.001759 0Rh 8s 0.636417 -0.373380 0.635877 0.197679 -0.678467 0.422443 0Rh 1pz 0.001795 -0.005370 0.001893 -0.003240 0.004179 0.004829 0Rh 1px 0.002412 -0.005977 0.000336 -0.002914 -0.004755 0.002092 0Rh 1py -0.001460 -0.003417 0.006189 0.003032 -0.002730 -0.000868 0Rh 2pz -0.005888 0.019011 -0.006432 0.011236 -0.014350 -0.016827 0Rh 2px -0.008194 0.020669 -0.001120 0.009820 0.016413 -0.007325 0Rh 2py 0.004917 0.011678 -0.021345 -0.010401 0.009482 0.003004 0Rh 3pz -0.000548 -0.026963 0.004003 -0.011570 0.012002 0.018687 0Rh 3px 0.004994 -0.020227 0.000282 -0.004599 -0.015372 0.008739 0Rh 3py -0.002227 -0.008648 0.019397 0.008280 -0.010017 -0.002970 0Rh 4pz 0.031219 0.013362 0.015903 -0.008888 0.022340 0.008750 0Rh 4px 0.021523 -0.020186 0.004312 -0.030018 -0.019355 0.001950 0Rh 4py -0.015377 -0.023074 0.029250 0.018889 -0.006612 -0.002958 0Rh 5pz -0.049336 -0.089752 -0.015701 -0.018712 0.002781 0.036462 0Rh 5px -0.029166 -0.028201 -0.006121 0.036783 -0.010946 0.015638 0Rh 5py 0.018744 0.014319 0.000386 -0.006154 -0.017486 -0.001830 0Rh 6pz 0.399486 1.091341 0.171609 0.270338 -0.265921 -0.669747 0Rh 6px 0.086387 0.485647 -0.156271 -0.263821 0.070978 -0.250269 0Rh 6py -0.195880 0.049229 -0.362786 -0.350879 0.246858 -0.069822 0Rh 1dz2 0.007492 -0.004002 -0.004231 0.007169 0.001834 -0.007074 0Rh 1dxz 0.009235 0.004873 0.003451 -0.000150 -0.002791 -0.014758 0Rh 1dyz -0.006111 -0.008179 0.013683 -0.007738 0.000749 -0.003453 0Rh 1dx2y2 0.001512 -0.001583 0.000848 0.012263 0.001036 -0.010625 0Rh 1dxy -0.001782 0.001064 -0.011688 -0.012682 0.001919 -0.012311 0Rh 2dz2 -0.000100 -0.000153 -0.000656 0.000876 0.000161 -0.000249 0Rh 2dxz -0.000568 -0.000196 -0.001108 0.000679 0.000467 0.000671 0Rh 2dyz 0.000185 0.000115 -0.001179 0.000356 0.000134 0.001117 0Rh 2dx2y2 0.000886 0.000127 0.000607 -0.000870 0.000022 0.000431 0Rh 2dxy 0.000400 -0.000904 0.000988 0.000875 -0.000091 0.001120 0Rh 3dz2 -0.013305 0.007980 0.010616 -0.016928 -0.004078 0.014106 0Rh 3dxz -0.014675 -0.008225 -0.001724 -0.002603 0.003224 0.024691 0Rh 3dyz 0.010550 0.014564 -0.020420 0.012800 -0.001924 0.001737 0Rh 3dx2y2 -0.006611 0.002405 -0.004243 -0.018950 -0.001923 0.017856 0Rh 3dxy 0.001609 0.001727 0.017519 0.019952 -0.003150 0.018204 0Rh 4dz2 -0.012377 0.003236 -0.004023 0.002532 0.000610 0.005629 0Rh 4dxz -0.019527 -0.007748 -0.019964 0.010011 0.010110 0.025580 0Rh 4dyz 0.009021 0.011971 -0.031469 0.013810 0.000766 0.017859 0Rh 4dx2y2 0.011586 0.003179 0.009462 -0.028161 -0.002890 0.019049 0Rh 4dxy 0.007618 -0.013219 0.027964 0.025396 -0.004121 0.029291 0Rh 5dz2 0.006775 0.021668 0.072515 -0.088018 -0.040304 0.039549 0Rh 5dxz 0.013053 -0.030440 0.070704 -0.055222 -0.035489 0.048354 0Rh 5dyz 0.031947 0.019218 0.005755 0.012903 -0.012433 -0.046847 0Rh 5dx2y2 -0.102203 0.009847 -0.079442 0.024305 0.042588 0.012478 0Rh 5dxy -0.023187 0.049839 -0.014574 0.028114 0.011757 -0.013597 0Rh 1f0 -0.000548 0.005519 -0.003321 -0.000592 -0.000671 0.000264 0Rh 1f+1 -0.000822 0.002731 0.000235 -0.001185 -0.001489 -0.001687 0Rh 1f-1 0.000132 -0.004774 -0.002990 -0.001974 -0.001867 0.000068 0Rh 1f+2 0.004821 0.003611 0.000967 0.000627 -0.000022 -0.000064 0Rh 1f-2 -0.000959 -0.000055 0.000446 -0.005080 -0.000393 -0.001431 0Rh 1f+3 -0.000499 -0.003288 0.003330 -0.000890 -0.001815 0.001194 0Rh 1f-3 0.001642 0.001329 -0.001148 0.000174 -0.000091 0.003178 1Rh 1s 0.001513 0.000309 0.001824 -0.001742 -0.000251 0.000491 1Rh 2s -0.006495 -0.001000 -0.006895 0.005761 0.000925 -0.002119 1Rh 3s 0.004792 0.001180 0.006352 -0.006578 -0.000888 0.001550 1Rh 4s 0.029242 0.004380 0.030673 -0.025260 -0.003972 0.009556 1Rh 5s -0.031073 -0.002390 -0.025546 0.014087 0.001021 -0.010260 1Rh 6s -0.022670 -0.012304 -0.052095 0.070691 0.020814 -0.006928 1Rh 7s -0.055584 0.238883 0.055177 -0.220602 0.237340 -0.005220 1Rh 8s -0.661813 -0.340984 -0.680954 -0.133572 -0.670104 -0.412189 1Rh 1pz 0.001282 0.005255 0.001954 -0.002743 -0.004465 0.005064 1Rh 1px 0.002715 0.005873 0.000820 -0.003308 0.004449 0.002021 1Rh 1py -0.001838 0.003253 0.006343 0.002711 0.002722 -0.000520 1Rh 2pz -0.004092 -0.018620 -0.006659 0.009514 0.015338 -0.017646 1Rh 2px -0.009219 -0.020306 -0.002790 0.011178 -0.015379 -0.007069 1Rh 2py 0.006231 -0.011121 -0.021874 -0.009292 -0.009447 0.001795 1Rh 3pz -0.002683 0.026725 0.004520 -0.009821 -0.012908 0.019591 1Rh 3px 0.005585 0.019838 0.001839 -0.005791 0.014812 0.008301 1Rh 3py -0.003576 0.008334 0.019812 0.007216 0.009837 -0.001708 1Rh 4pz 0.030960 -0.014338 0.015026 -0.007419 -0.023578 0.009178 1Rh 4px 0.023979 0.019910 0.006252 -0.031898 0.016520 0.002426 1Rh 4py -0.016496 0.021578 0.030187 0.017681 0.007173 -0.002011 1Rh 5pz -0.055086 0.090741 -0.013582 -0.015807 -0.003271 0.038232 1Rh 5px -0.029746 0.027958 -0.004526 0.036232 0.013944 0.013803 1Rh 5py 0.017417 -0.012748 0.000189 -0.007288 0.016367 -0.000220 1Rh 6pz 0.478641 -1.105535 0.152881 0.215198 0.271624 -0.693444 1Rh 6px 0.069748 -0.474524 -0.181551 -0.261478 -0.078363 -0.238578 1Rh 6py -0.173169 -0.055664 -0.369260 -0.323847 -0.254807 -0.100031 1Rh 1dz2 -0.007789 -0.003955 0.004008 -0.007134 0.000782 0.006965 1Rh 1dxz -0.009678 0.005296 -0.003338 0.000411 -0.002409 0.014902 1Rh 1dyz 0.006338 -0.008027 -0.013787 0.007623 0.002382 0.003344 1Rh 1dx2y2 -0.001484 -0.001664 -0.000714 -0.012400 -0.000122 0.010597 1Rh 1dxy 0.001340 0.000867 0.011788 0.012384 0.002612 0.012629 1Rh 2dz2 0.000148 -0.000190 0.000691 -0.000896 0.000063 0.000255 1Rh 2dxz 0.000646 -0.000233 0.001094 -0.000701 0.000340 -0.000716 1Rh 2dyz -0.000224 0.000106 0.001167 -0.000359 0.000023 -0.001091 1Rh 2dx2y2 -0.000930 0.000137 -0.000633 0.000882 0.000131 -0.000422 1Rh 2dxy -0.000335 -0.000875 -0.001014 -0.000836 -0.000142 -0.001182 1Rh 3dz2 0.013657 0.008045 -0.010349 0.016947 -0.001717 -0.013929 1Rh 3dxz 0.015170 -0.008854 0.001575 0.002211 0.003053 -0.024772 1Rh 3dyz -0.010814 0.014324 0.020660 -0.012573 -0.004479 -0.001645 1Rh 3dx2y2 0.006742 0.002504 0.004107 0.019147 -0.000251 -0.017848 1Rh 3dxy -0.001062 0.001970 -0.017594 -0.019561 -0.004230 -0.018540 1Rh 4dz2 0.013384 0.002684 0.004807 -0.002921 0.000586 -0.005423 1Rh 4dxz 0.021089 -0.008778 0.019690 -0.010671 0.007836 -0.026338 1Rh 4dyz -0.009738 0.011651 0.031479 -0.013735 -0.002613 -0.017385 1Rh 4dx2y2 -0.012272 0.003518 -0.010075 0.028655 0.000232 -0.018848 1Rh 4dxy -0.006202 -0.012557 -0.028462 -0.024498 -0.005463 -0.030473 1Rh 5dz2 -0.008838 0.024356 -0.074865 0.091400 -0.028413 -0.039205 1Rh 5dxz -0.015207 -0.029279 -0.071948 0.057022 -0.027217 -0.046467 1Rh 5dyz -0.032112 0.019517 -0.005318 -0.011669 -0.013320 0.045822 1Rh 5dx2y2 0.105647 0.007372 0.082913 -0.028666 0.036761 -0.013683 1Rh 5dxy 0.020837 0.048076 0.016397 -0.029992 0.009307 0.015363 1Rh 1f0 -0.000512 -0.005425 -0.003525 -0.000701 0.000758 0.000310 1Rh 1f+1 -0.000658 -0.002693 0.000173 -0.001401 0.001387 -0.001748 1Rh 1f-1 -0.000421 0.004780 -0.002835 -0.001947 0.001812 0.000319 1Rh 1f+2 0.005102 -0.003653 0.000855 0.000527 0.000052 -0.000035 1Rh 1f-2 -0.001290 0.000056 0.000373 -0.004953 -0.000152 -0.001372 1Rh 1f+3 -0.000496 0.003216 0.003531 -0.001051 0.001594 0.001189 1Rh 1f-3 0.001913 -0.001338 -0.001155 0.000163 0.000201 0.003014 2C 1s 0.005561 -0.022631 0.018081 0.010455 -0.026704 0.015606 2C 2s 0.012528 -0.048134 0.038647 0.021015 -0.053750 0.031386 2C 3s -0.030822 0.001383 0.013012 0.063011 -0.142032 0.097092 2C 4s -0.074949 0.926264 -0.853561 -0.842643 2.033134 -1.249065 2C 5s 0.603224 -4.526700 1.776108 1.653219 -6.596595 2.670731 2C 1pz -0.042877 0.062218 -0.081825 0.041243 -0.016298 0.002270 2C 1px 0.024467 0.037252 0.047614 -0.028740 -0.008477 -0.038932 2C 1py -0.054182 0.049028 -0.023402 -0.057455 0.011513 0.049107 2C 2pz -0.032215 -0.059289 -0.195315 0.177109 -0.033651 -0.055547 2C 2px 0.154518 0.072679 0.319647 -0.192143 -0.012863 -0.202936 2C 2py -0.104697 0.008649 0.041486 -0.266800 0.074366 0.148423 2C 3pz 0.228848 -0.848695 0.040734 -0.577881 0.004905 -0.270531 2C 3px -0.523071 -0.474931 -0.490173 0.027885 -0.128601 0.348942 2C 3py 0.257812 -0.244216 0.000308 0.017786 -0.146923 -0.410435 2C 1dz2 0.000372 -0.000133 -0.000714 0.003336 -0.000202 -0.001327 2C 1dxz 0.004945 0.000813 0.005055 -0.001683 0.000065 -0.006692 2C 1dyz 0.000995 -0.002876 -0.001733 0.000518 0.001933 -0.001105 2C 1dx2y2 0.001035 0.000787 -0.002307 0.005176 -0.000450 -0.000735 2C 1dxy 0.001111 0.000608 0.003995 -0.006450 0.002518 -0.000501 2C 2dz2 0.011767 -0.036476 0.024873 -0.003838 -0.006486 -0.008698 2C 2dxz 0.046798 -0.018528 0.033151 -0.023603 0.026529 -0.000610 2C 2dyz 0.042050 -0.116251 0.072163 -0.013401 0.005434 -0.011155 2C 2dx2y2 -0.005359 0.058963 0.018219 -0.029718 0.003808 0.014053 2C 2dxy 0.048853 -0.026326 0.025776 0.012747 0.010912 -0.017647 2C 1f0 -0.001760 0.004080 0.001434 -0.010725 0.006721 -0.003399 2C 1f+1 0.003726 -0.003249 0.002945 -0.000607 0.001866 -0.004197 2C 1f-1 0.002099 -0.003939 -0.003132 -0.000796 0.009381 -0.005303 2C 1f+2 -0.002320 -0.004134 0.000797 0.008180 -0.014462 0.013795 2C 1f-2 0.002187 0.005499 -0.005949 -0.009524 0.017567 -0.008584 2C 1f+3 0.001382 -0.007232 0.009524 0.002121 -0.012044 0.010874 2C 1f-3 0.002175 -0.002137 0.006770 -0.000605 -0.003048 -0.002933 3C 1s 0.017870 0.008416 -0.017356 -0.018087 -0.036628 0.004016 3C 2s 0.037661 0.018870 -0.036358 -0.036891 -0.074927 0.009089 3C 3s 0.018433 -0.046318 -0.039118 -0.074521 -0.134757 -0.009685 3C 4s -0.869156 -0.060814 0.968693 1.251596 2.399302 -0.116200 3C 5s 3.003179 0.955524 -1.947671 -3.242052 -9.032867 -0.638314 3C 1pz -0.023112 -0.036299 0.008214 0.021839 0.020671 -0.086258 3C 1px 0.043885 0.002294 0.022066 0.036577 0.004807 0.031294 3C 1py 0.074229 0.062873 -0.055311 -0.010987 -0.025119 0.009467 3C 2pz -0.021641 0.003527 -0.031749 0.068462 0.008841 -0.346297 3C 2px 0.342253 0.150110 0.033588 0.149358 -0.018535 0.211738 3C 2py 0.130605 0.025426 -0.112168 -0.000349 0.028894 -0.000155 3C 3pz 0.140087 0.639647 0.123814 -0.063260 -0.301983 0.503191 3C 3px -0.260883 -0.181967 -0.139623 0.234443 -0.282863 -0.462921 3C 3py -0.268626 -0.195816 -0.060182 -0.094505 0.540605 0.202638 3C 1dz2 -0.001678 -0.003190 -0.000163 -0.000975 -0.000765 -0.002210 3C 1dxz 0.006041 0.002959 -0.001538 0.002221 0.000296 0.002038 3C 1dyz 0.000200 -0.000050 0.000115 -0.001178 -0.000659 0.006457 3C 1dx2y2 0.002013 0.000226 -0.001199 -0.000101 0.001098 -0.001529 3C 1dxy -0.001912 -0.003392 -0.000994 0.001351 -0.000684 -0.005816 3C 2dz2 -0.013210 -0.044936 0.008055 0.025478 0.001710 -0.025238 3C 2dxz -0.003109 0.007118 0.006507 -0.032953 -0.010516 0.012746 3C 2dyz -0.049932 -0.038050 0.046343 0.000702 0.049341 -0.023699 3C 2dx2y2 -0.026710 -0.064718 0.044841 -0.013429 0.042989 0.018993 3C 2dxy -0.066959 -0.083129 0.004272 0.028564 0.011933 -0.024833 3C 1f0 -0.006310 -0.006333 0.005882 0.002832 0.006250 0.002698 3C 1f+1 0.002748 0.001344 0.001641 0.004386 0.003195 0.006319 3C 1f-1 -0.001038 0.000928 0.003753 0.005340 0.010118 -0.003591 3C 1f+2 0.010168 -0.000643 -0.007794 -0.012315 -0.023066 0.002784 3C 1f-2 0.001246 -0.003813 -0.006885 -0.008910 -0.016248 -0.003738 3C 1f+3 -0.001249 0.001944 0.001919 -0.001859 0.002415 0.001711 3C 1f-3 -0.006107 -0.003997 0.003886 -0.002853 0.003770 -0.004218 4C 1s 0.006174 0.002119 0.010318 0.007306 0.005500 -0.001862 4C 2s 0.012428 0.004993 0.021825 0.015360 0.011844 -0.003723 4C 3s 0.036909 0.010243 0.002737 -0.011123 -0.007311 -0.033969 4C 4s -0.444573 -0.228586 -0.431469 -0.277965 -0.133059 0.205552 4C 5s 0.099409 2.045062 0.229860 0.532410 2.331544 -0.761486 4C 1pz -0.110126 0.101200 -0.149193 0.005222 -0.003512 0.040464 4C 1px 0.019500 0.003238 0.088597 -0.090689 0.034291 -0.061378 4C 1py -0.024658 0.119806 -0.075710 -0.034092 -0.002168 -0.017036 4C 2pz -0.105318 -0.090525 -0.148058 -0.002622 0.058890 0.038222 4C 2px -0.109200 -0.057695 0.099249 -0.130991 0.093000 0.060226 4C 2py -0.026670 0.152708 -0.043130 -0.042665 0.054412 0.000266 4C 3pz 0.401027 -0.910283 -0.031873 -0.666432 -0.269327 -0.837636 4C 3px 0.087767 0.398865 -0.803493 0.437276 0.038186 0.110227 4C 3py -0.045082 -1.159904 -0.415388 -0.166677 -0.150763 -0.366486 4C 1dz2 0.000355 0.005427 -0.001785 -0.009769 0.004336 -0.006114 4C 1dxz -0.012712 0.003964 -0.017205 0.003446 -0.000627 0.005172 4C 1dyz -0.004384 0.004500 -0.008091 -0.005276 0.004854 -0.003073 4C 1dx2y2 0.000570 -0.007722 0.011296 0.000925 0.000933 0.008545 4C 1dxy -0.006074 -0.000906 -0.007753 0.008606 -0.001231 0.005205 4C 2dz2 -0.042190 0.049850 -0.002136 -0.044532 -0.062668 0.041715 4C 2dxz -0.020077 0.031480 -0.077977 0.060495 -0.062053 0.089381 4C 2dyz -0.004268 0.081490 -0.009180 0.092776 -0.061996 0.020552 4C 2dx2y2 0.028037 -0.114347 -0.028592 0.000468 0.090529 -0.039460 4C 2dxy -0.055519 0.000201 0.004276 -0.037075 0.024279 0.115556 4C 1f0 -0.000355 -0.000999 0.001066 -0.001492 -0.001086 0.001450 4C 1f+1 0.003674 0.005346 -0.000022 0.002115 -0.004434 -0.004776 4C 1f-1 0.005425 -0.004445 0.001612 -0.001558 0.003643 -0.008450 4C 1f+2 -0.001086 -0.003205 -0.001189 0.002260 0.001599 -0.000697 4C 1f-2 -0.002206 -0.002921 0.000465 -0.002556 0.001238 0.002073 4C 1f+3 0.000395 0.001612 0.002337 -0.002578 0.000926 -0.002291 4C 1f-3 0.003414 0.004613 0.000710 -0.000343 -0.004442 -0.003785 5C 1s 0.012929 0.008814 -0.004044 -0.005833 0.004455 -0.000596 5C 2s 0.027147 0.018168 -0.008505 -0.012248 0.009802 -0.001307 5C 3s 0.020719 0.004526 0.024489 0.011106 0.012973 0.010549 5C 4s -0.646508 -0.315825 0.002384 0.198351 -0.299105 -0.025434 5C 5s -0.112913 0.115678 0.307486 0.561238 3.291801 0.151179 5C 1pz -0.108345 -0.051496 0.044363 0.003802 0.027556 -0.060514 5C 1px 0.049834 0.040020 0.029964 0.042754 0.051972 0.105083 5C 1py 0.130761 0.149834 -0.095841 -0.074109 -0.069084 0.063029 5C 2pz -0.174603 0.125718 -0.043091 -0.011951 0.019781 0.021218 5C 2px 0.139080 0.044074 0.129192 0.098802 0.080533 -0.024138 5C 2py 0.184708 0.121182 -0.004767 -0.081123 -0.051237 0.045866 5C 3pz 0.526666 -0.219850 0.360708 0.472944 -0.658322 -0.202544 5C 3px -0.607210 0.120513 0.359986 -0.456902 -0.421714 -0.945864 5C 3py -0.538582 -0.879120 -0.431548 -0.363267 1.095398 0.358062 5C 1dz2 0.002465 0.001958 0.003432 0.000767 0.000505 0.003991 5C 1dxz -0.011582 -0.010715 0.009597 0.004280 0.003205 -0.008411 5C 1dyz 0.002756 -0.001633 -0.003758 -0.002505 -0.004852 -0.005617 5C 1dx2y2 0.001743 0.003009 -0.012807 -0.010112 -0.008166 0.000484 5C 1dxy 0.011470 0.008814 -0.006527 -0.008475 -0.002505 0.016731 5C 2dz2 -0.047654 0.022825 0.025572 -0.005039 0.004479 0.121167 5C 2dxz 0.021506 -0.086115 0.020797 0.027989 -0.014136 -0.050563 5C 2dyz 0.027436 0.005637 0.040212 0.011635 0.008014 -0.062591 5C 2dx2y2 0.036449 0.095362 0.029824 0.027866 0.025754 -0.056811 5C 2dxy 0.071368 0.123724 -0.078697 0.091612 0.008964 0.055355 5C 1f0 -0.000628 -0.007088 0.004238 -0.003525 -0.000410 -0.001936 5C 1f+1 0.001275 -0.000990 -0.001884 0.000488 -0.000923 0.002129 5C 1f-1 0.001178 -0.004692 0.000433 0.001439 -0.000581 -0.003124 5C 1f+2 -0.002058 -0.000952 -0.002731 -0.000530 -0.001080 0.000411 5C 1f-2 -0.005684 0.002429 -0.005356 -0.002962 -0.000642 0.004968 5C 1f+3 -0.000711 0.001551 0.001385 -0.000679 0.000262 0.006553 5C 1f-3 -0.002861 0.001424 -0.003941 0.000022 -0.001139 -0.001256 6C 1s -0.012433 0.008644 0.004635 0.005503 0.004724 0.000563 6C 2s -0.026103 0.017798 0.009770 0.011530 0.010345 0.001241 6C 3s -0.018649 0.005494 -0.024095 -0.013584 0.014005 -0.011683 6C 4s 0.605445 -0.314589 -0.029210 -0.166555 -0.319118 0.035451 6C 5s 0.103023 0.140885 -0.141540 -0.855544 3.227941 -0.165205 6C 1pz -0.118755 0.051674 0.043810 0.007247 -0.029613 -0.059217 6C 1px 0.049427 -0.043706 0.026601 0.048757 -0.047396 0.103750 6C 1py 0.130762 -0.149144 -0.095054 -0.080598 0.065772 0.062853 6C 2pz -0.191996 -0.124178 -0.044567 -0.008892 -0.017418 0.021295 6C 2px 0.130793 -0.050797 0.121265 0.106958 -0.079330 -0.020435 6C 2py 0.159154 -0.121458 -0.007084 -0.082293 0.042825 0.049657 6C 3pz 0.600782 0.215909 0.394553 0.405412 0.675635 -0.214199 6C 3px -0.596268 -0.105466 0.362618 -0.499167 0.338393 -0.929240 6C 3py -0.462704 0.873669 -0.457550 -0.274765 -1.093638 0.356794 6C 1dz2 -0.002297 0.002171 -0.003357 -0.000875 0.000598 -0.003922 6C 1dxz 0.012124 -0.010787 -0.009678 -0.004594 0.003435 0.008143 6C 1dyz -0.002596 -0.001836 0.003496 0.002987 -0.004693 0.005565 6C 1dx2y2 -0.001903 0.002633 0.012443 0.011033 -0.007702 -0.000513 6C 1dxy -0.011818 0.009054 0.006533 0.008615 -0.002155 -0.016629 6C 2dz2 0.050749 0.023125 -0.025714 0.004381 0.005915 -0.121967 6C 2dxz -0.010359 -0.085198 -0.022218 -0.028232 -0.016091 0.048670 6C 2dyz -0.030922 0.006686 -0.039965 -0.012111 0.011068 0.061064 6C 2dx2y2 -0.037129 0.094914 -0.026462 -0.028800 0.026647 0.054843 6C 2dxy -0.077191 0.123156 0.079824 -0.091892 -0.005309 -0.052968 6C 1f0 -0.001205 0.007054 0.004314 -0.003498 -0.000183 -0.001838 6C 1f+1 0.001142 0.001020 -0.001788 0.000498 0.001129 0.002077 6C 1f-1 0.001511 0.004694 0.000532 0.001322 0.000662 -0.003112 6C 1f+2 -0.002430 0.001043 -0.002702 -0.000628 0.001293 0.000404 6C 1f-2 -0.004973 -0.002286 -0.005299 -0.003130 0.000767 0.004711 6C 1f+3 -0.000727 -0.001583 0.001375 -0.000610 -0.000402 0.006575 6C 1f-3 -0.002423 -0.001302 -0.003928 -0.000218 0.001361 -0.001344 7C 1s -0.006323 0.002341 -0.010186 -0.007644 0.005273 0.001738 7C 2s -0.012767 0.005434 -0.021528 -0.016106 0.011367 0.003448 7C 3s -0.035343 0.012553 -0.001826 0.012749 -0.005588 0.034192 7C 4s 0.439190 -0.250036 0.418879 0.278896 -0.129676 -0.199824 7C 5s -0.143226 2.015805 -0.077968 -0.730045 2.310887 0.758074 7C 1pz -0.110898 -0.094659 -0.153801 0.007993 0.010642 0.039992 7C 1px 0.023345 -0.006410 0.088720 -0.090019 -0.048799 -0.059638 7C 1py -0.033382 -0.117140 -0.079869 -0.032185 0.001271 -0.016358 7C 2pz -0.094330 0.097914 -0.149493 0.004447 -0.051435 0.037642 7C 2px -0.085290 0.056720 0.096106 -0.125105 -0.110509 0.055484 7C 2py -0.047268 -0.148091 -0.050206 -0.033078 -0.056671 0.000108 7C 3pz 0.312147 0.876691 0.004961 -0.665229 0.211476 -0.817233 7C 3px 0.072637 -0.384116 -0.817006 0.437195 0.042782 0.104143 7C 3py 0.014348 1.151327 -0.381215 -0.181718 0.160288 -0.368803 7C 1dz2 -0.000321 0.005539 0.002115 0.009336 0.005277 0.005921 7C 1dxz 0.013012 0.003254 0.017538 -0.003784 -0.001883 -0.005069 7C 1dyz 0.004698 0.004235 0.008553 0.004617 0.005029 0.003048 7C 1dx2y2 -0.000914 -0.007505 -0.011617 -0.000835 0.001213 -0.008531 7C 1dxy 0.006057 -0.001330 0.007776 -0.008601 -0.002603 -0.005074 7C 2dz2 0.040201 0.048430 -0.000030 0.052309 -0.056975 -0.043255 7C 2dxz 0.016543 0.028763 0.077374 -0.055187 -0.071686 -0.086256 7C 2dyz 0.007462 0.078642 0.007399 -0.087467 -0.070510 -0.020149 7C 2dx2y2 -0.033925 -0.114180 0.028683 -0.008491 0.087371 0.040177 7C 2dxy 0.054470 -0.001259 -0.000911 0.032498 0.027116 -0.114946 7C 1f0 -0.000201 0.000878 0.001081 -0.001660 0.000891 0.001526 7C 1f+1 0.003538 -0.005524 -0.000027 0.001647 0.004574 -0.004834 7C 1f-1 0.005500 0.004200 0.001614 -0.001375 -0.003898 -0.008389 7C 1f+2 -0.000800 0.003309 -0.001064 0.002403 -0.001271 -0.000616 7C 1f-2 -0.001695 0.002892 0.000349 -0.002395 -0.001461 0.001877 7C 1f+3 0.000085 -0.001655 0.002290 -0.002506 -0.001333 -0.002196 7C 1f-3 0.003246 -0.004804 0.000820 -0.000967 0.004206 -0.003664 8C 1s -0.017809 0.008056 0.015780 0.021674 -0.035537 -0.003770 8C 2s -0.037677 0.018149 0.033139 0.044246 -0.072706 -0.008605 8C 3s -0.012794 -0.048098 0.032929 0.087200 -0.130336 0.011243 8C 4s 0.829708 -0.034789 -0.863540 -1.482056 2.323164 0.095923 8C 5s -2.851762 0.866231 1.573882 4.089880 -8.775650 0.700788 8C 1pz -0.024504 0.037163 0.007131 0.024675 -0.018011 -0.086964 8C 1px 0.042737 -0.003975 0.021392 0.037174 -0.001183 0.030957 8C 1py 0.078613 -0.062731 -0.054749 -0.012931 0.026685 0.008897 8C 2pz -0.023856 0.001657 -0.034002 0.072275 0.000568 -0.348494 8C 2px 0.342677 -0.158940 0.030633 0.148173 0.035497 0.209906 8C 2py 0.133852 -0.026304 -0.114370 0.006002 -0.019428 -0.002207 8C 3pz 0.104306 -0.645132 0.126440 -0.087877 0.282672 0.511204 8C 3px -0.276238 0.202331 -0.116109 0.205435 0.304876 -0.462121 8C 3py -0.319850 0.196852 -0.083508 -0.047678 -0.536908 0.205601 8C 1dz2 0.001451 -0.003198 0.000069 0.001057 -0.000652 0.002180 8C 1dxz -0.006266 0.003081 0.001642 -0.002298 -0.000095 -0.001887 8C 1dyz -0.000113 0.000057 -0.000132 0.001222 -0.000599 -0.006452 8C 1dx2y2 -0.002114 0.000251 0.001269 -0.000024 0.000962 0.001604 8C 1dxy 0.002052 -0.003524 0.000902 -0.001262 -0.000845 0.005847 8C 2dz2 0.010818 -0.045437 -0.008918 -0.024793 -0.000270 0.026119 8C 2dxz -0.000519 0.007115 -0.007263 0.034147 -0.005950 -0.013193 8C 2dyz 0.057557 -0.037371 -0.043611 -0.006835 0.050636 0.023351 8C 2dx2y2 0.024749 -0.062754 -0.043317 0.009210 0.045901 -0.019223 8C 2dxy 0.069369 -0.084747 -0.005715 -0.029176 0.008860 0.024363 8C 1f0 -0.006140 0.006176 0.005738 0.003483 -0.006352 0.002887 8C 1f+1 0.003143 -0.001580 0.001300 0.004417 -0.002390 0.006282 8C 1f-1 -0.001074 -0.001088 0.003185 0.006385 -0.009617 -0.003627 8C 1f+2 0.009601 0.000767 -0.006785 -0.014466 0.022184 0.002511 8C 1f-2 0.000838 0.004113 -0.006225 -0.010669 0.016008 -0.003800 8C 1f+3 -0.000623 -0.002075 0.001755 -0.001736 -0.002660 0.001912 8C 1f-3 -0.006349 0.004035 0.003704 -0.002543 -0.004123 -0.004117 9C 1s -0.005673 -0.021940 -0.020175 -0.007658 -0.027022 -0.015514 9C 2s -0.012801 -0.046627 -0.042927 -0.015343 -0.054309 -0.031197 9C 3s 0.032202 0.000123 -0.020736 -0.049862 -0.147294 -0.096799 9C 4s 0.071377 0.904765 0.990684 0.640075 2.078492 1.243108 9C 5s -0.534982 -4.434981 -2.248122 -1.031511 -6.693523 -2.668764 9C 1pz -0.046489 -0.058306 -0.083414 0.042009 0.023468 0.002272 9C 1px 0.025898 -0.038791 0.047084 -0.029451 0.002719 -0.040250 9C 1py -0.055397 -0.048383 -0.025814 -0.055664 -0.015176 0.050070 9C 2pz -0.040118 0.065810 -0.195110 0.179505 0.059985 -0.056351 9C 2px 0.165511 -0.084796 0.319780 -0.194889 -0.023379 -0.208328 9C 2py -0.106743 -0.012725 0.037171 -0.259259 -0.097812 0.151896 9C 3pz 0.256125 0.820767 0.064631 -0.584433 -0.055423 -0.265976 9C 3px -0.530773 0.494275 -0.484265 0.037497 0.168247 0.348758 9C 3py 0.200365 0.240046 0.008850 0.013249 0.147404 -0.409963 9C 1dz2 -0.000163 -0.000183 0.000732 -0.003388 -0.000552 0.001355 9C 1dxz -0.005020 0.001052 -0.005166 0.001817 0.000578 0.006727 9C 1dyz -0.001156 -0.002876 0.001736 -0.000728 0.001737 0.001135 9C 1dx2y2 -0.000823 0.000691 0.002319 -0.005266 -0.001087 0.000802 9C 1dxy -0.001164 0.000773 -0.003804 0.006178 0.003321 0.000388 9C 2dz2 -0.007815 -0.034969 -0.025943 0.003722 -0.006058 0.008966 9C 2dxz -0.044407 -0.016033 -0.032664 0.022255 0.030521 -0.000896 9C 2dyz -0.047434 -0.112456 -0.075550 0.015019 0.009387 0.011906 9C 2dx2y2 0.008978 0.059926 -0.016299 0.029469 0.007951 -0.014747 9C 2dxy -0.051768 -0.023864 -0.027474 -0.011491 0.011714 0.017438 9C 1f0 -0.001858 -0.004223 0.000933 -0.010093 -0.007747 -0.003235 9C 1f+1 0.004025 0.002917 0.003101 -0.000792 -0.002258 -0.004386 9C 1f-1 0.002228 0.004026 -0.003405 0.000123 -0.009078 -0.005260 9C 1f+2 -0.002588 0.004427 0.001985 0.007025 0.015825 0.014103 9C 1f-2 0.002095 -0.005316 -0.006985 -0.007650 -0.017961 -0.008217 9C 1f+3 0.001189 0.006808 0.010059 0.000861 0.011638 0.010885 9C 1f-3 0.002463 0.002182 0.007461 -0.000917 0.003184 -0.002596 10H 1s -0.018304 -0.019825 -0.028703 0.026843 -0.013821 0.029321 10H 2s -0.149438 -0.203423 -0.327698 0.394095 -0.150897 0.383482 10H 3s 0.508798 0.883301 0.357927 -1.271860 1.720501 -1.594992 10H 1pz 0.002021 -0.005888 -0.006444 0.020619 -0.015219 0.013003 10H 1px 0.006136 0.016012 0.010319 -0.024255 0.020786 -0.025064 10H 1py -0.000553 0.003187 0.002379 -0.001895 -0.002430 0.009533 11H 1s 0.016543 -0.001406 0.014865 0.014267 -0.018926 -0.019672 11H 2s 0.151349 -0.106622 0.204236 0.231802 -0.252530 -0.191835 11H 3s -0.478163 0.493722 -0.979437 -0.907814 1.629738 -0.253100 11H 1pz -0.001019 -0.015207 0.005805 0.015279 -0.019318 0.007377 11H 1px 0.001873 -0.007732 0.014939 0.007521 -0.020804 0.002756 11H 1py -0.011209 0.003607 -0.007832 -0.014720 0.013562 0.005232 12H 1s -0.002664 -0.010718 0.027442 -0.039980 -0.002310 0.014854 12H 2s -0.052438 -0.003649 0.401853 -0.447949 -0.065463 0.207638 12H 3s -0.219712 0.655463 -1.111049 0.135832 1.349346 -0.854079 12H 1pz -0.001268 0.009462 -0.007374 0.009881 0.001140 -0.004954 12H 1px -0.000434 -0.001479 0.014966 -0.006349 -0.012643 0.005715 12H 1py -0.002816 -0.000736 0.023319 -0.009013 -0.020188 0.020470 13H 1s -0.021212 -0.017275 -0.006514 -0.008661 -0.015971 -0.037424 13H 2s -0.274051 -0.139464 -0.086124 -0.224378 -0.170184 -0.431262 13H 3s 0.033400 0.512574 0.723024 0.979623 1.962405 1.177854 13H 1pz -0.001623 0.001158 -0.008886 -0.014378 -0.018795 -0.015873 13H 1px 0.007653 0.006975 0.006808 0.016811 0.021067 0.014888 13H 1py 0.006438 0.001143 0.001458 0.015357 0.010428 0.001519 14H 1s 0.037206 0.013211 -0.012105 0.006676 -0.013072 0.004106 14H 2s 0.488487 0.225558 -0.203118 0.122546 -0.188145 0.062702 14H 3s -1.359315 -0.389556 0.697094 0.817751 1.785078 -0.270056 14H 1pz 0.012586 0.009483 -0.009558 -0.003056 -0.014100 -0.002928 14H 1px 0.030003 0.011367 -0.017023 -0.002710 -0.028690 0.005551 14H 1py 0.008372 0.002707 -0.003063 -0.001662 -0.003840 -0.002852 15H 1s 0.000177 0.007676 0.003706 -0.010915 -0.019018 0.035605 15H 2s 0.032851 -0.024186 0.015202 -0.125479 -0.225750 0.425862 15H 3s -0.722147 -0.323448 0.432055 0.950621 1.840109 -0.799548 15H 1pz -0.006056 -0.005418 0.005367 0.013236 0.021636 -0.018968 15H 1px 0.008001 -0.003157 -0.004355 0.002629 -0.007384 0.001434 15H 1py -0.007092 0.011062 0.005920 0.013358 0.023650 -0.009331 16H 1s -0.023070 -0.049595 0.007975 -0.031277 0.011172 0.007960 16H 2s -0.230229 -0.658802 0.065955 -0.371500 0.116528 0.127950 16H 3s 0.254225 0.537436 -0.025989 0.206776 -0.109379 -0.275896 16H 1pz -0.015156 -0.037536 0.000877 -0.017278 0.008849 0.010056 16H 1px 0.002940 0.011155 0.001338 0.004197 -0.000505 -0.009558 16H 1py 0.000752 -0.009438 0.001188 -0.007983 -0.000767 -0.002401 17H 1s 0.023184 0.029838 0.000636 -0.014620 -0.019293 -0.007649 17H 2s 0.395099 0.357117 0.050244 -0.129232 -0.287065 -0.231196 17H 3s -0.330132 -0.363748 -0.101623 0.011187 0.277441 0.147604 17H 1pz -0.016273 -0.015414 0.001068 -0.001316 0.009429 0.009064 17H 1px -0.025039 -0.018465 -0.006782 -0.000725 0.017042 0.019386 17H 1py 0.010779 0.003240 -0.000617 -0.004339 -0.005523 -0.006467 18H 1s -0.027147 0.029777 -0.001842 0.018202 -0.018203 0.007561 18H 2s -0.452620 0.361356 -0.063219 0.176823 -0.274224 0.232328 18H 3s 0.358533 -0.369732 0.108359 -0.051263 0.271759 -0.151638 18H 1pz -0.018100 0.015847 0.000776 0.000257 -0.009777 0.009598 18H 1px -0.027693 0.018988 -0.007018 0.001583 -0.016637 0.019851 18H 1py 0.012121 -0.002769 -0.000247 -0.005280 0.004927 -0.006011 19H 1s 0.020924 -0.050135 -0.009170 0.029612 0.014170 -0.008378 19H 2s 0.208940 -0.662587 -0.086076 0.356100 0.149054 -0.139142 19H 3s -0.254820 0.543450 0.039262 -0.187035 -0.122592 0.284062 19H 1pz -0.015054 0.037358 0.001939 -0.016054 -0.010169 0.010913 19H 1px 0.003173 -0.011491 0.000731 0.004297 0.000597 -0.010070 19H 1py 0.001338 0.010163 0.001727 -0.008627 -0.000220 -0.001862 20H 1s 0.000636 0.008119 -0.004566 0.012913 -0.017425 -0.036061 20H 2s -0.040821 -0.019029 -0.028243 0.152749 -0.208618 -0.429802 20H 3s 0.670684 -0.318108 -0.358639 -1.131235 1.763841 0.795182 20H 1pz -0.005439 0.005394 0.004403 0.015506 -0.020500 -0.019084 20H 1px 0.008500 0.003161 -0.003993 0.001638 0.008165 0.001450 20H 1py -0.008225 -0.011103 0.004580 0.015937 -0.022442 -0.009078 21H 1s -0.038380 0.013541 0.011890 -0.005643 -0.014810 -0.003258 21H 2s -0.486281 0.228433 0.200238 -0.106618 -0.216617 -0.052932 21H 3s 1.342125 -0.384091 -0.633142 -0.980132 1.750565 0.235070 21H 1pz 0.011522 -0.009355 -0.009294 -0.004307 0.014616 -0.003133 21H 1px 0.028903 -0.011216 -0.015973 -0.005379 0.029469 0.005013 21H 1py 0.009529 -0.002742 -0.003036 -0.001997 0.003987 -0.003124 22H 1s 0.021316 -0.018344 0.005287 0.010416 -0.014947 0.037219 22H 2s 0.280033 -0.152429 0.075057 0.241971 -0.146765 0.428989 22H 3s -0.086889 0.562343 -0.626542 -1.171771 1.891646 -1.187589 22H 1pz -0.002733 -0.000568 -0.008114 -0.015931 0.017643 -0.015921 22H 1px 0.007967 -0.007640 0.005721 0.018914 -0.019523 0.015012 22H 1py 0.006922 -0.001422 0.001059 0.016444 -0.008993 0.001614 23H 1s 0.001524 -0.009441 -0.027655 0.040636 0.002538 -0.015457 23H 2s 0.051408 0.011544 -0.402916 0.456626 -0.007131 -0.213646 23H 3s 0.243262 0.616422 1.204856 -0.284020 1.285599 0.866945 23H 1pz -0.002258 -0.009135 -0.007850 0.010389 -0.000029 -0.005178 23H 1px -0.000290 0.000940 0.015241 -0.007308 0.011164 0.005286 23H 1py -0.003646 0.000092 0.024569 -0.010988 0.018545 0.020776 24H 1s -0.015798 -0.000782 -0.016348 -0.012236 -0.019118 0.020281 24H 2s -0.161645 -0.099682 -0.224866 -0.202363 -0.260462 0.201788 24H 3s 0.466082 0.468115 1.098139 0.733407 1.654523 0.239593 24H 1pz 0.000468 0.015093 0.007234 0.013057 0.020359 0.007034 24H 1px 0.002805 0.007515 0.016555 0.005598 0.021083 0.002238 24H 1py -0.010825 -0.003220 -0.008614 -0.013189 -0.014130 0.005516 25H 1s 0.019313 -0.020779 0.027899 -0.026265 -0.018392 -0.029312 25H 2s 0.163852 -0.215754 0.318182 -0.386054 -0.210784 -0.386100 25H 3s -0.538942 0.907497 -0.256683 1.134622 1.879173 1.585862 25H 1pz 0.001480 0.006356 -0.005571 0.019311 0.017693 0.013208 25H 1px 0.006923 -0.016451 0.008866 -0.022357 -0.023809 -0.025245 25H 1py -0.001104 -0.003384 0.002429 -0.002292 0.001919 0.009474 26O 1s -0.002878 0.001803 -0.002540 -0.002900 0.000907 -0.000236 26O 2s -0.005796 0.004057 -0.006097 -0.006464 0.001486 -0.000797 26O 3s -0.011712 -0.002247 0.006515 -0.001156 0.012131 0.006623 26O 4s 0.117871 -0.061971 0.043311 0.091845 -0.091123 -0.007863 26O 5s -0.021639 0.408751 0.322761 -0.258774 -0.219075 -0.165312 26O 1pz 0.072393 -0.030156 0.056948 0.033853 -0.016198 -0.013499 26O 1px -0.004192 0.035225 -0.031682 -0.063037 -0.003349 -0.061722 26O 1py -0.007489 0.022086 0.048466 -0.070370 -0.012384 0.018218 26O 2pz 0.110111 -0.042911 0.059573 0.052844 -0.016070 -0.019289 26O 2px -0.006959 0.010514 -0.051846 -0.068737 0.023084 -0.050936 26O 2py -0.036646 -0.005627 0.054672 -0.100885 0.001422 0.062589 26O 3pz -0.210023 0.120612 -0.004386 -0.038731 0.100344 0.055587 26O 3px -0.253345 -0.058364 -0.045591 -0.056316 0.106226 0.127039 26O 3py 0.075045 0.140872 -0.115939 0.192188 0.078585 -0.170894 26O 1dz2 0.002548 -0.000239 0.001750 0.001152 -0.001395 -0.001134 26O 1dxz 0.000642 -0.000949 0.003411 -0.002107 0.001033 -0.000587 26O 1dyz 0.000540 -0.001969 0.003016 -0.001069 -0.000668 0.000196 26O 1dx2y2 -0.002894 0.002809 -0.000525 -0.001437 -0.000175 0.002332 26O 1dxy -0.000290 -0.002424 0.000017 -0.000468 0.000865 -0.000123 26O 2dz2 -0.008476 -0.013426 -0.003190 0.003276 0.002845 0.014060 26O 2dxz 0.009059 -0.008583 0.017320 0.005806 -0.007338 -0.003415 26O 2dyz 0.012320 0.006112 0.011777 0.001304 -0.000730 -0.001208 26O 2dx2y2 0.004249 0.016338 -0.010039 -0.006983 -0.005850 -0.016415 26O 2dxy 0.007723 0.008338 0.011432 -0.012603 -0.004961 -0.009511 26O 1f0 0.000849 -0.000745 0.000593 0.000576 -0.000432 -0.000287 26O 1f+1 0.000326 0.000929 -0.000297 0.000034 0.000037 -0.000992 26O 1f-1 0.000408 0.000220 0.000506 0.000798 -0.000655 0.000264 26O 1f+2 -0.000724 0.000448 -0.000299 -0.000783 0.000496 0.000058 26O 1f-2 -0.000798 0.000483 -0.001138 0.000337 0.000195 -0.000074 26O 1f+3 0.000332 0.000472 -0.001808 -0.000101 -0.000132 -0.000958 26O 1f-3 0.001040 0.000612 0.000385 -0.000151 0.000088 -0.001166 27O 1s -0.004355 -0.003428 0.001972 0.001362 0.004474 0.002691 27O 2s -0.010617 -0.008417 0.004936 0.002459 0.009990 0.006857 27O 3s 0.016642 0.014015 -0.007816 0.010967 0.000139 -0.018426 27O 4s 0.034254 0.021351 -0.020813 -0.094248 -0.146948 0.006971 27O 5s 0.248660 0.013583 -0.286507 0.238788 0.110633 0.528219 27O 1pz 0.073485 0.023151 -0.031412 -0.004066 -0.024435 -0.027496 27O 1px -0.009529 -0.020987 0.055147 0.062063 0.021945 0.040530 27O 1py -0.030364 -0.056936 0.006010 0.061069 0.042217 -0.064744 27O 2pz 0.106323 0.017083 -0.032943 0.019850 -0.033465 -0.065271 27O 2px -0.005575 -0.039786 0.081459 0.076248 0.035367 -0.003168 27O 2py -0.025394 -0.068184 -0.008813 0.089761 0.049512 -0.079420 27O 3pz -0.177473 0.116314 -0.055455 -0.188455 0.066453 0.192080 27O 3px -0.054670 0.128819 0.091530 0.065481 -0.071822 -0.202868 27O 3py -0.074725 -0.138177 0.125317 -0.149053 -0.061314 0.205220 27O 1dz2 0.000448 0.000865 0.000007 -0.000026 0.000327 -0.001137 27O 1dxz 0.000699 0.001820 -0.000916 -0.002282 0.000059 0.002044 27O 1dyz -0.001058 -0.000136 0.000834 0.001029 0.001438 -0.001341 27O 1dx2y2 -0.002109 -0.000810 0.001754 0.001355 0.000894 -0.001301 27O 1dxy -0.003783 -0.002825 0.002132 -0.001025 0.000136 -0.001893 27O 2dz2 -0.005704 0.004387 -0.001778 -0.002121 -0.001720 -0.005903 27O 2dxz 0.015450 0.012764 -0.013843 -0.002352 -0.007123 0.003807 27O 2dyz -0.004355 -0.011910 -0.001972 0.000583 0.001685 -0.003172 27O 2dx2y2 -0.005786 -0.003393 0.007693 0.013403 0.009746 0.021470 27O 2dxy -0.012344 -0.010427 0.012466 0.008438 0.005891 -0.023759 27O 1f0 0.000533 0.000346 -0.000375 0.000667 0.000249 0.000727 27O 1f+1 0.000034 0.000170 0.000062 -0.000014 0.000456 0.000880 27O 1f-1 -0.000410 -0.000237 0.000638 0.000279 0.000352 -0.000328 27O 1f+2 -0.001071 -0.001035 0.001306 0.000426 0.001091 -0.000353 27O 1f-2 0.000287 0.000047 0.000313 0.000278 0.000210 0.000671 27O 1f+3 -0.000062 0.000414 0.000500 0.001071 0.000481 0.000251 27O 1f-3 -0.000667 -0.000396 0.001301 0.001245 0.000417 -0.001291 28O 1s -0.003658 0.007888 -0.005303 -0.000154 -0.003876 0.004753 28O 2s -0.009482 0.018610 -0.012274 -0.000554 -0.010360 0.011208 28O 3s 0.021825 -0.021253 0.006053 0.003741 0.032787 -0.013117 28O 4s 0.004263 -0.132064 0.130606 -0.012864 -0.057949 -0.069378 28O 5s 0.000820 0.321508 -0.399492 0.315785 -0.009913 0.476644 28O 1pz -0.055451 -0.023478 -0.059041 0.033041 -0.046199 0.054933 28O 1px 0.049688 -0.046377 0.127522 -0.000046 0.002183 0.001794 28O 1py 0.017367 -0.044872 -0.017615 0.066343 -0.017525 -0.026254 28O 2pz -0.082735 -0.031528 -0.072748 0.025306 -0.039819 0.058819 28O 2px 0.053459 -0.040290 0.146138 -0.000222 -0.017264 0.029924 28O 2py 0.015589 -0.059037 -0.043264 0.097369 -0.025938 -0.056033 28O 3pz 0.243729 -0.278907 0.131438 0.038776 0.071556 -0.222173 28O 3px -0.008322 0.153623 0.038810 0.096342 0.019665 0.061957 28O 3py 0.072861 -0.057793 0.244079 -0.209557 0.104081 0.134909 28O 1dz2 0.002035 -0.001432 0.000383 0.002858 -0.000062 -0.000474 28O 1dxz 0.000154 -0.000247 0.002286 -0.001210 0.000266 0.000160 28O 1dyz -0.001016 -0.000543 0.000751 -0.000195 -0.001179 0.003251 28O 1dx2y2 -0.001058 -0.000049 -0.001538 -0.000884 -0.000461 0.000606 28O 1dxy 0.000941 0.000874 -0.000835 0.002256 -0.001008 -0.002028 28O 2dz2 -0.001160 -0.010388 0.002661 0.005013 -0.006073 0.011905 28O 2dxz 0.011431 -0.020064 0.021637 -0.009083 0.005641 -0.015987 28O 2dyz 0.000983 -0.006962 -0.000103 0.009811 -0.010582 0.003662 28O 2dx2y2 -0.016464 0.009595 -0.024336 -0.005840 0.000464 0.004121 28O 2dxy -0.001769 -0.001724 0.000378 -0.008345 0.001730 -0.008401 28O 1f0 0.000111 0.001029 -0.000489 0.000472 0.000040 -0.000791 28O 1f+1 0.000020 -0.000170 0.000637 -0.000154 -0.000255 0.000908 28O 1f-1 0.000631 -0.000686 0.000994 -0.000411 -0.000440 -0.000313 28O 1f+2 -0.000016 -0.000566 0.000210 0.000241 0.000102 0.000028 28O 1f-2 0.000258 -0.000320 0.001078 0.001246 -0.000630 0.000158 28O 1f+3 0.000902 -0.000933 0.001106 0.000764 -0.000370 -0.000091 28O 1f-3 0.000630 0.000175 0.000996 0.000507 0.000027 -0.000000 29O 1s -0.001810 -0.001816 -0.002627 -0.005804 -0.000014 -0.000285 29O 2s -0.004132 -0.003658 -0.006428 -0.013103 0.000340 -0.000829 29O 3s 0.003510 -0.008166 0.012467 0.001539 -0.007682 0.002337 29O 4s 0.058791 0.066785 0.019947 0.124889 0.022774 -0.015028 29O 5s -0.197051 0.030068 -0.016280 0.110788 0.022839 0.108835 29O 1pz -0.029080 -0.065925 0.000703 -0.020670 0.015249 0.018557 29O 1px -0.012193 -0.017377 0.012045 0.013113 0.013254 0.000379 29O 1py -0.016784 -0.005200 0.050199 -0.010022 0.000844 0.018201 29O 2pz -0.091619 -0.156390 -0.010961 -0.051116 0.050085 0.051512 29O 2px -0.031171 -0.052279 0.045495 0.018990 0.027243 0.010642 29O 2py -0.017970 -0.015155 0.099596 -0.036882 -0.004804 0.029139 29O 3pz -0.132434 -0.326689 0.068691 -0.093848 0.085468 0.087386 29O 3px -0.114563 -0.016371 -0.163790 0.018147 0.094542 0.095883 29O 3py 0.129925 -0.029097 -0.130546 -0.079204 -0.070800 -0.119300 29O 1dz2 -0.001715 -0.005321 0.001659 -0.003456 0.000653 0.001022 29O 1dxz 0.003101 0.002055 0.000716 -0.000886 -0.002452 -0.001031 29O 1dyz -0.004237 -0.007683 0.000151 -0.001941 0.002895 0.002338 29O 1dx2y2 -0.000433 0.001145 -0.000313 0.000555 0.000410 0.000206 29O 1dxy -0.003022 -0.002217 -0.000500 0.001203 0.002058 0.001918 29O 2dz2 0.010918 0.019848 0.000584 0.006804 -0.006691 -0.011536 29O 2dxz -0.012944 -0.023224 -0.000498 -0.007006 0.007875 0.015923 29O 2dyz 0.010366 0.021035 -0.001575 0.004993 -0.005654 -0.006134 29O 2dx2y2 -0.004905 -0.004784 -0.006813 0.000459 0.006492 0.000944 29O 2dxy 0.011893 0.004352 0.006567 0.001507 -0.008796 -0.006330 29O 1f0 0.000002 -0.001928 0.000056 -0.001318 0.000016 -0.000100 29O 1f+1 -0.001248 -0.001251 -0.000013 -0.000054 0.000760 0.001189 29O 1f-1 -0.000420 -0.002631 0.000484 -0.001653 0.000042 0.000528 29O 1f+2 0.000478 0.001182 0.000219 0.000661 -0.000366 -0.000430 29O 1f-2 0.002366 0.002070 0.000478 0.000133 -0.001492 -0.001683 29O 1f+3 -0.000627 -0.000677 -0.000363 -0.000026 0.000531 0.000654 29O 1f-3 -0.001090 -0.000908 -0.000186 0.000111 0.000719 0.000668 30O 1s -0.006366 -0.006731 0.003804 -0.000067 -0.001610 -0.002323 30O 2s -0.014630 -0.016385 0.009010 0.000470 -0.004908 -0.005531 30O 3s 0.004883 0.025725 -0.011853 -0.008639 0.024570 0.005914 30O 4s 0.148066 0.087638 -0.075325 0.035895 -0.100115 0.061371 30O 5s -0.281836 -0.553100 0.319839 -0.401504 0.338373 -0.474463 30O 1pz -0.081771 -0.023860 0.028976 -0.019848 -0.009970 -0.019230 30O 1px 0.093251 0.094304 -0.088118 -0.054377 -0.040193 0.068935 30O 1py 0.025797 0.054462 0.030440 -0.029062 0.041034 0.068591 30O 2pz -0.125833 -0.011583 0.024175 -0.027727 -0.011976 -0.000523 30O 2px 0.109363 0.076542 -0.078029 -0.076627 -0.053273 0.061800 30O 2py 0.047956 0.030045 0.072238 -0.051533 0.059689 0.089139 30O 3pz 0.199033 0.089034 -0.154554 0.118580 0.001853 0.004647 30O 3px 0.204649 -0.051019 0.107793 0.015669 0.163200 -0.072579 30O 3py -0.099774 0.072583 -0.050814 0.093150 -0.108154 -0.255820 30O 1dz2 0.003015 -0.001498 -0.000554 0.001828 0.000615 -0.002703 30O 1dxz 0.001883 0.001628 0.001722 -0.001141 0.000460 0.000930 30O 1dyz 0.001086 0.000299 0.002160 0.001719 0.002283 0.001002 30O 1dx2y2 -0.002150 -0.002335 0.000542 0.001284 0.000871 0.000294 30O 1dxy -0.004016 -0.000122 0.000187 -0.000841 0.000631 0.001872 30O 2dz2 0.000551 0.009013 -0.005351 -0.004322 -0.001938 0.008856 30O 2dxz 0.006694 0.022328 -0.017673 -0.000759 -0.007628 0.025756 30O 2dyz 0.006441 0.019337 -0.002637 0.004456 0.003918 0.014531 30O 2dx2y2 -0.011231 -0.009731 0.014958 0.018345 0.014382 -0.001612 30O 2dxy -0.004486 -0.010130 0.013890 0.001185 0.005241 -0.020753 30O 1f0 -0.000151 -0.000384 0.000869 0.000756 0.000729 -0.001564 30O 1f+1 0.000029 0.000200 0.000458 -0.000250 0.000217 0.000787 30O 1f-1 -0.000323 0.000048 0.000109 -0.000253 0.000005 0.000718 30O 1f+2 -0.000304 0.000702 -0.001113 -0.000730 -0.000408 0.000285 30O 1f-2 -0.000860 0.000524 -0.000573 0.000202 0.000090 0.000366 30O 1f+3 0.001786 0.000293 -0.001021 -0.001012 -0.000830 -0.000218 30O 1f-3 -0.000495 0.000335 -0.001460 -0.000150 -0.000557 0.000614 31O 1s 0.006704 -0.006726 -0.003965 0.000248 -0.001442 0.002251 31O 2s 0.015472 -0.016373 -0.009444 0.000064 -0.004566 0.005353 31O 3s -0.006826 0.025592 0.013174 0.006313 0.024750 -0.005539 31O 4s -0.150290 0.088189 0.072516 -0.026938 -0.106652 -0.060226 31O 5s 0.313654 -0.554317 -0.312019 0.361744 0.401445 0.458449 31O 1pz -0.080851 0.024488 0.030323 -0.021387 0.005811 -0.019585 31O 1px 0.095039 -0.093390 -0.088140 -0.058423 0.039913 0.067473 31O 1py 0.027973 -0.056583 0.026574 -0.025415 -0.044451 0.068311 31O 2pz -0.120960 0.012957 0.025843 -0.030463 0.007200 -0.001608 31O 2px 0.108365 -0.075685 -0.077529 -0.081435 0.049955 0.060795 31O 2py 0.049718 -0.033986 0.067647 -0.046011 -0.067734 0.089511 31O 3pz 0.199616 -0.089339 -0.153158 0.121063 0.022061 -0.002463 31O 3px 0.188364 0.046462 0.097857 0.032505 -0.170073 -0.063472 31O 3py -0.121415 -0.065627 -0.052259 0.084524 0.117902 -0.250100 31O 1dz2 -0.002989 -0.001476 0.000561 -0.001909 0.000416 0.002650 31O 1dxz -0.001709 0.001665 -0.001637 0.001098 0.000692 -0.000992 31O 1dyz -0.001015 0.000362 -0.002041 -0.001960 0.002214 -0.000996 31O 1dx2y2 0.002176 -0.002294 -0.000570 -0.001418 0.000714 -0.000240 31O 1dxy 0.003939 -0.000128 -0.000188 0.000800 0.000719 -0.001862 31O 2dz2 -0.000273 0.008799 0.005354 0.004604 -0.001797 -0.009123 31O 2dxz -0.007438 0.022158 0.017485 0.001735 -0.008825 -0.025281 31O 2dyz -0.008148 0.019829 0.003259 -0.004644 0.003032 -0.014011 31O 2dx2y2 0.012413 -0.009520 -0.014462 -0.019885 0.013390 0.001158 31O 2dxy 0.006307 -0.010046 -0.013537 -0.001874 0.006178 0.020087 31O 1f0 -0.000201 0.000376 0.000823 0.000826 -0.000716 -0.001534 31O 1f+1 -0.000007 -0.000198 0.000441 -0.000228 -0.000264 0.000816 31O 1f-1 -0.000355 -0.000044 0.000107 -0.000253 -0.000034 0.000737 31O 1f+2 -0.000239 -0.000678 -0.001103 -0.000782 0.000394 0.000271 31O 1f-2 -0.000748 -0.000525 -0.000566 0.000193 -0.000015 0.000321 31O 1f+3 0.001795 -0.000298 -0.000996 -0.001083 0.000776 -0.000221 31O 1f-3 -0.000387 -0.000300 -0.001416 -0.000221 0.000632 0.000584 32O 1s 0.001427 -0.002018 0.002456 0.005921 0.000269 0.000062 32O 2s 0.003332 -0.004123 0.006086 0.013331 0.000950 0.000314 32O 3s -0.005022 -0.007811 -0.013378 -0.000695 -0.007071 -0.002014 32O 4s -0.045158 0.071402 -0.012829 -0.130056 0.014704 0.018916 32O 5s 0.206500 0.023313 0.017918 -0.115485 0.012772 -0.105888 32O 1pz -0.029665 0.066631 0.000450 -0.016394 -0.016696 0.018529 32O 1px -0.011336 0.017352 0.011487 0.015140 -0.012416 -0.000355 32O 1py -0.010555 0.006871 0.052438 -0.011494 -0.004123 0.017517 32O 2pz -0.094965 0.158512 -0.011632 -0.040259 -0.053084 0.052811 32O 2px -0.027977 0.051845 0.045220 0.023380 -0.027482 0.008736 32O 2py -0.002967 0.019276 0.104995 -0.041335 -0.003648 0.027750 32O 3pz -0.139668 0.324948 0.079069 -0.081480 -0.099774 0.094452 32O 3px -0.156796 0.017089 -0.173637 0.035983 -0.083678 0.102033 32O 3py 0.122090 0.034235 -0.128947 -0.088478 0.066845 -0.107253 32O 1dz2 0.001206 -0.004999 -0.001839 0.003333 0.000887 -0.000969 32O 1dxz -0.003612 0.002253 -0.000854 0.001228 -0.002423 0.001117 32O 1dyz 0.004524 -0.007898 -0.000294 0.001628 0.003098 -0.002474 32O 1dx2y2 0.000301 0.001311 0.000354 -0.000609 0.000246 -0.000107 32O 1dxy 0.003401 -0.002144 0.000593 -0.001523 0.001864 -0.001923 32O 2dz2 -0.011098 0.018839 -0.000135 -0.005648 -0.006776 0.011462 32O 2dxz 0.014643 -0.023965 0.000167 0.005891 0.008518 -0.016795 32O 2dyz -0.011417 0.021580 0.002134 -0.004378 -0.006191 0.007004 32O 2dx2y2 0.005706 -0.005429 0.006965 -0.000970 0.006335 -0.001484 32O 2dxy -0.012726 0.004114 -0.006811 -0.000209 -0.008334 0.005910 32O 1f0 0.000143 0.001801 0.000112 -0.001242 -0.000117 -0.000060 32O 1f+1 -0.001478 0.001295 -0.000033 0.000101 -0.000802 0.001255 32O 1f-1 -0.000248 0.002679 0.000635 -0.001713 -0.000168 0.000578 32O 1f+2 0.000405 -0.001245 0.000142 0.000700 0.000368 -0.000464 32O 1f-2 0.002626 -0.002128 0.000513 -0.000069 0.001471 -0.001707 32O 1f+3 -0.000629 0.000610 -0.000357 0.000046 -0.000456 0.000608 32O 1f-3 -0.001240 0.000956 -0.000220 0.000198 -0.000709 0.000705 33O 1s 0.003695 0.007643 0.005508 0.000294 -0.004151 -0.004534 33O 2s 0.009530 0.018011 0.012699 0.000998 -0.010973 -0.010664 33O 3s -0.021128 -0.020437 -0.005485 -0.006356 0.032669 0.012032 33O 4s -0.009175 -0.128963 -0.140767 0.022997 -0.049033 0.068269 33O 5s 0.007616 0.315184 0.421388 -0.318681 -0.061977 -0.472551 33O 1pz -0.057218 0.026434 -0.057376 0.029787 0.052091 0.054964 33O 1px 0.052115 0.042602 0.130392 -0.002507 -0.008365 0.002386 33O 1py 0.015211 0.045743 -0.014600 0.065066 0.025548 -0.026131 33O 2pz -0.085286 0.036101 -0.070965 0.023116 0.045739 0.059325 33O 2px 0.055693 0.036059 0.149338 -0.004401 0.010045 0.030000 33O 2py 0.012940 0.060899 -0.039372 0.095556 0.038683 -0.055589 33O 3pz 0.236665 0.268464 0.139659 0.046823 -0.073339 -0.216700 33O 3px 0.004571 -0.156665 0.029959 0.094061 -0.012141 0.056836 33O 3py 0.064744 0.049470 0.240307 -0.197881 -0.137639 0.137540 33O 1dz2 -0.001998 -0.001382 -0.000438 -0.002859 -0.000356 0.000559 33O 1dxz -0.000320 -0.000175 -0.002289 0.001262 0.000504 -0.000170 33O 1dyz 0.000809 -0.000533 -0.000814 0.000349 -0.001163 -0.003215 33O 1dx2y2 0.001171 -0.000135 0.001525 0.000881 -0.000417 -0.000644 33O 1dxy -0.000784 0.000828 0.000748 -0.002163 -0.001253 0.002032 33O 2dz2 0.000783 -0.010420 -0.003158 -0.004368 -0.006559 -0.011714 33O 2dxz -0.012054 -0.019373 -0.022598 0.009013 0.007653 0.015492 33O 2dyz 0.000047 -0.007106 -0.000385 -0.009120 -0.011695 -0.003752 33O 2dx2y2 0.016007 0.009045 0.025065 0.005541 -0.000143 -0.003889 33O 2dxy 0.002434 -0.001824 -0.000343 0.007894 0.002767 0.008208 33O 1f0 0.000067 -0.001026 -0.000534 0.000490 0.000016 -0.000804 33O 1f+1 0.000089 0.000151 0.000642 -0.000198 0.000217 0.000883 33O 1f-1 0.000607 0.000648 0.001039 -0.000448 0.000342 -0.000305 33O 1f+2 0.000001 0.000575 0.000251 0.000245 -0.000086 0.000047 33O 1f-2 0.000269 0.000302 0.001126 0.001170 0.000705 0.000142 33O 1f+3 0.000908 0.000910 0.001177 0.000712 0.000390 -0.000082 33O 1f-3 0.000637 -0.000209 0.001003 0.000486 -0.000023 0.000001 34O 1s 0.004413 -0.003300 -0.001862 -0.001897 0.004390 -0.002612 34O 2s 0.010758 -0.008083 -0.004707 -0.003698 0.009881 -0.006661 34O 3s -0.016996 0.013233 0.008145 -0.010134 -0.001194 0.018040 34O 4s -0.034558 0.021390 0.015304 0.107537 -0.137828 -0.007209 34O 5s -0.247424 0.010601 0.281898 -0.248288 0.060817 -0.521885 34O 1pz 0.072296 -0.023625 -0.031172 -0.006079 0.025918 -0.026815 34O 1px -0.009234 0.018005 0.054836 0.065031 -0.017724 0.040166 34O 1py -0.032148 0.057643 0.005619 0.065241 -0.036491 -0.064230 34O 2pz 0.106769 -0.018248 -0.032483 0.017015 0.037099 -0.064792 34O 2px -0.004991 0.035917 0.080628 0.080497 -0.031683 -0.003056 34O 2py -0.024919 0.069327 -0.009114 0.094126 -0.039917 -0.079114 34O 3pz -0.182181 -0.109639 -0.059607 -0.182768 -0.081006 0.194638 34O 3px -0.044680 -0.127994 0.086946 0.052512 0.067766 -0.199463 34O 3py -0.095872 0.133859 0.131617 -0.146860 0.041227 0.203985 34O 1dz2 -0.000410 0.000844 0.000022 0.000010 0.000335 0.001134 34O 1dxz -0.001064 0.001798 0.000927 0.002319 0.000242 -0.001970 34O 1dyz 0.001134 -0.000148 -0.000761 -0.001175 0.001382 0.001285 34O 1dx2y2 0.001963 -0.000754 -0.001698 -0.001400 0.000863 0.001300 34O 1dxy 0.003787 -0.002853 -0.002144 0.001016 0.000364 0.001874 34O 2dz2 0.006258 0.003946 0.001961 0.002369 -0.001376 0.005818 34O 2dxz -0.015627 0.012694 0.013885 0.002995 -0.007661 -0.003480 34O 2dyz 0.004388 -0.012034 0.001623 -0.000666 0.001505 0.003133 34O 2dx2y2 0.006357 -0.003219 -0.007530 -0.014668 0.008310 -0.021031 34O 2dxy 0.012098 -0.010437 -0.012345 -0.008740 0.005882 0.023635 34O 1f0 0.000511 -0.000346 -0.000389 0.000693 -0.000152 0.000721 34O 1f+1 0.000040 -0.000175 0.000047 0.000048 -0.000445 0.000867 34O 1f-1 -0.000426 0.000228 0.000625 0.000303 -0.000360 -0.000316 34O 1f+2 -0.001072 0.001009 0.001283 0.000535 -0.001123 -0.000343 34O 1f-2 0.000281 -0.000070 0.000309 0.000302 -0.000185 0.000664 34O 1f+3 -0.000150 -0.000409 0.000471 0.001135 -0.000389 0.000249 34O 1f-3 -0.000691 0.000391 0.001271 0.001269 -0.000367 -0.001279 35O 1s 0.003174 0.001710 0.002598 0.002814 0.001194 0.000018 35O 2s 0.006526 0.003865 0.006182 0.006346 0.002149 0.000267 35O 3s 0.010214 -0.002568 -0.005607 -0.000468 0.011673 -0.005730 35O 4s -0.119851 -0.058703 -0.050549 -0.081196 -0.097391 0.010094 35O 5s 0.029955 0.419083 -0.319074 0.282945 -0.178173 0.162272 35O 1pz 0.075774 0.027597 0.059625 0.030407 0.016403 -0.014654 35O 1px -0.004047 -0.035318 -0.032502 -0.063006 -0.002629 -0.061306 35O 1py -0.006400 -0.023359 0.048580 -0.072437 0.002847 0.018633 35O 2pz 0.112884 0.039602 0.062457 0.049812 0.018095 -0.020489 35O 2px -0.006301 -0.009912 -0.053884 -0.064705 -0.027977 -0.050900 35O 2py -0.034198 0.004937 0.054371 -0.100869 -0.013926 0.062513 35O 3pz -0.193439 -0.116788 -0.010812 -0.036041 -0.102699 0.051078 35O 3px -0.227157 0.065656 -0.047409 -0.048058 -0.108989 0.116310 35O 3py 0.087980 -0.137653 -0.119361 0.192655 -0.053631 -0.175974 35O 1dz2 -0.002499 -0.000149 -0.001823 -0.001000 -0.001392 0.001093 35O 1dxz -0.000546 -0.000826 -0.003412 0.002060 0.001386 0.000497 35O 1dyz -0.000493 -0.001864 -0.003137 0.001137 -0.000425 -0.000229 35O 1dx2y2 0.002949 0.002693 0.000652 0.001405 -0.000044 -0.002289 35O 1dxy 0.000049 -0.002422 -0.000100 0.000457 0.000892 0.000156 35O 2dz2 0.006870 -0.013584 0.002939 -0.003344 0.002179 -0.013642 35O 2dxz -0.009251 -0.007955 -0.018121 -0.004716 -0.006954 0.003336 35O 2dyz -0.012785 0.006655 -0.011853 -0.000713 -0.000219 0.001433 35O 2dx2y2 -0.003478 0.016453 0.010391 0.007559 -0.005356 0.016191 35O 2dxy -0.007242 0.009068 -0.011483 0.013388 -0.002971 0.009135 35O 1f0 0.000873 0.000708 0.000644 0.000503 0.000460 -0.000286 35O 1f+1 0.000212 -0.000943 -0.000334 0.000037 -0.000042 -0.000967 35O 1f-1 0.000399 -0.000239 0.000547 0.000708 0.000705 0.000256 35O 1f+2 -0.000775 -0.000432 -0.000354 -0.000698 -0.000560 0.000063 35O 1f-2 -0.000796 -0.000439 -0.001164 0.000365 -0.000105 -0.000085 35O 1f+3 0.000341 -0.000452 -0.001822 -0.000124 0.000202 -0.000955 35O 1f-3 0.000929 -0.000662 0.000360 -0.000151 -0.000134 -0.001124 192 193 194 195 196 197 0.43704 0.44060 0.44431 0.44639 0.44770 0.45602 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s -0.000465 -0.000865 0.001144 0.000883 -0.000394 -0.000538 0Rh 2s 0.001558 0.002156 -0.004918 -0.003735 0.001295 0.001380 0Rh 3s -0.001743 -0.003707 0.003617 0.002831 -0.001496 -0.002281 0Rh 4s -0.006850 -0.009094 0.022187 0.016817 -0.005683 -0.005851 0Rh 5s 0.003943 -0.002090 -0.023364 -0.017102 0.003078 -0.000854 0Rh 6s 0.019000 0.054899 -0.020445 -0.018327 0.016200 0.033500 0Rh 7s -0.014168 -0.277767 0.004378 0.059856 -0.041212 -0.190087 0Rh 8s -0.039310 -0.391601 -0.131585 -0.183719 0.117524 -0.198895 0Rh 1pz -0.005404 -0.005201 0.000093 -0.000484 0.001408 0.002227 0Rh 1px -0.000664 -0.002210 0.000324 -0.000517 0.000095 0.001015 0Rh 1py -0.005615 0.005597 -0.010467 -0.008152 0.002124 0.001608 0Rh 2pz 0.019076 0.018230 -0.000188 0.001858 -0.004525 -0.007675 0Rh 2px 0.002463 0.007954 -0.001745 0.001317 -0.000260 -0.003327 0Rh 2py 0.019423 -0.019327 0.036394 0.028387 -0.007396 -0.005532 0Rh 3pz -0.025737 -0.022200 -0.002416 -0.005255 -0.002127 0.006939 0Rh 3px -0.005429 -0.013667 0.013556 0.007682 -0.001068 -0.000329 0Rh 3py -0.018956 0.018183 -0.038704 -0.031001 0.008151 0.004808 0Rh 4pz 0.007413 -0.002109 0.010612 0.010697 0.029834 0.009828 0Rh 4px 0.008525 0.014820 -0.043521 -0.035942 0.005495 0.017993 0Rh 4py -0.019684 0.022514 -0.026603 -0.017405 0.004088 0.007687 0Rh 5pz -0.078426 -0.049979 -0.024056 -0.021320 -0.055992 0.000659 0Rh 5px -0.023733 -0.058118 0.090537 0.068881 -0.014231 -0.035097 0Rh 5py -0.016101 0.009329 -0.047919 -0.045146 0.010536 0.003530 0Rh 6pz 1.161488 0.537439 0.161840 0.061664 0.777252 0.130696 0Rh 6px 0.234378 0.792839 -0.502779 -0.376699 0.230367 0.584814 0Rh 6py 0.129426 -0.184938 0.719429 0.569688 0.049123 -0.199282 0Rh 1dz2 -0.025743 -0.018852 -0.002352 -0.001807 -0.009036 -0.004290 0Rh 1dxz 0.016043 0.017170 -0.001103 0.000981 0.010490 0.005176 0Rh 1dyz 0.001210 0.004911 0.001860 -0.002817 0.003804 -0.000228 0Rh 1dx2y2 -0.001691 0.003101 -0.001627 -0.001920 0.004756 -0.002294 0Rh 1dxy -0.000835 0.001569 0.005015 0.002144 -0.005761 0.006071 0Rh 2dz2 0.001149 0.001074 -0.000206 0.000688 0.000095 0.000104 0Rh 2dxz -0.001705 -0.001619 0.000058 -0.000493 -0.000552 -0.000378 0Rh 2dyz 0.000758 -0.000361 0.000371 0.000017 -0.000213 0.000224 0Rh 2dx2y2 0.000229 -0.000530 0.000528 0.000555 -0.000100 0.000060 0Rh 2dxy -0.000082 0.000356 -0.001603 -0.001025 0.000554 -0.000542 0Rh 3dz2 0.043165 0.030686 0.005269 0.000500 0.016497 0.007587 0Rh 3dxz -0.022862 -0.025336 0.001780 0.000220 -0.017323 -0.008116 0Rh 3dyz -0.005390 -0.007640 -0.004842 0.004995 -0.006180 -0.000492 0Rh 3dx2y2 0.002148 -0.003617 0.000886 0.001302 -0.008492 0.003999 0Rh 3dxy 0.001853 -0.004395 -0.002651 0.000193 0.008473 -0.009119 0Rh 4dz2 0.045089 0.036238 -0.000823 0.011813 0.010989 0.006532 0Rh 4dxz -0.040714 -0.041220 0.002440 -0.008081 -0.018971 -0.010943 0Rh 4dyz 0.007429 -0.011220 -0.000105 0.006855 -0.008186 0.003275 0Rh 4dx2y2 0.006074 -0.010140 0.008782 0.009616 -0.006198 0.003942 0Rh 4dxy -0.000077 0.002695 -0.028319 -0.015205 0.014001 -0.014527 0Rh 5dz2 0.069309 0.035452 0.041330 -0.047069 0.062649 0.015216 0Rh 5dxz 0.008070 0.006080 -0.005769 0.030011 -0.036123 -0.003486 0Rh 5dyz -0.035480 0.015464 0.024074 -0.044710 0.017318 -0.016000 0Rh 5dx2y2 -0.020195 0.012527 -0.015800 -0.024938 -0.028808 -0.003289 0Rh 5dxy 0.013091 -0.026187 0.093275 0.032827 -0.002566 0.009631 0Rh 1f0 -0.000314 0.002447 -0.005083 -0.004972 0.001451 0.000739 0Rh 1f+1 -0.001955 -0.002123 -0.002969 0.000278 0.001547 -0.000064 0Rh 1f-1 -0.000207 0.002226 -0.004110 -0.005515 0.003525 0.003582 0Rh 1f+2 -0.000514 0.002106 -0.003130 -0.003152 -0.002146 -0.000937 0Rh 1f-2 -0.006960 0.001378 -0.004144 -0.001464 -0.001654 0.001196 0Rh 1f+3 0.004391 -0.001786 0.000823 -0.000387 0.001485 0.000828 0Rh 1f-3 0.000878 0.002346 0.006724 0.003158 0.002983 -0.001415 1Rh 1s 0.000376 0.000820 0.001107 0.000848 0.000618 0.000467 1Rh 2s -0.001193 -0.001960 -0.004779 -0.003610 -0.002249 -0.001242 1Rh 3s 0.001454 0.003567 0.003492 0.002705 0.002211 0.001953 1Rh 4s 0.005210 0.008211 0.021564 0.016261 0.009985 0.005298 1Rh 5s -0.002344 0.003025 -0.022817 -0.016694 -0.007526 0.000139 1Rh 6s -0.016943 -0.054060 -0.019517 -0.017166 -0.020543 -0.027691 1Rh 7s 0.012328 0.283686 0.002944 0.056961 0.053026 0.171685 1Rh 8s 0.049029 0.383502 -0.104190 -0.166206 -0.157685 0.195994 1Rh 1pz -0.005267 -0.005313 -0.000749 -0.000045 0.001331 0.002176 1Rh 1px -0.000571 -0.002121 -0.000478 0.000390 0.000176 0.001230 1Rh 1py -0.006640 0.005042 0.009947 0.007754 0.003982 0.000967 1Rh 2pz 0.018618 0.018629 0.002438 -0.000036 -0.004292 -0.007484 1Rh 2px 0.002088 0.007620 0.002270 -0.000884 -0.000417 -0.004102 1Rh 2py 0.022992 -0.017393 -0.034587 -0.027004 -0.013861 -0.003310 1Rh 3pz -0.025599 -0.022818 0.000591 0.003581 -0.001730 0.006465 1Rh 3px -0.004070 -0.012801 -0.013945 -0.008043 -0.003228 0.000959 1Rh 3py -0.022874 0.016004 0.036774 0.029523 0.015053 0.002550 1Rh 4pz 0.009079 -0.001664 -0.014349 -0.012992 0.027207 0.010713 1Rh 4px 0.005073 0.013087 0.042483 0.035232 0.014516 0.016730 1Rh 4py -0.021756 0.021602 0.025378 0.016451 0.008746 0.005670 1Rh 5pz -0.080511 -0.052005 0.025755 0.021092 -0.051541 -0.001555 1Rh 5px -0.015509 -0.053578 -0.089598 -0.068447 -0.031451 -0.029876 1Rh 5py -0.022397 0.005550 0.045440 0.043351 0.018904 0.001225 1Rh 6pz 1.170000 0.555126 -0.186669 -0.060408 0.756063 0.140655 1Rh 6px 0.182874 0.766325 0.493369 0.374544 0.320055 0.551672 1Rh 6py 0.223619 -0.134252 -0.707750 -0.567073 -0.067169 -0.159117 1Rh 1dz2 0.025756 0.019060 -0.002103 -0.001075 0.008373 0.004382 1Rh 1dxz -0.015938 -0.017074 -0.000407 0.000995 -0.010508 -0.004798 1Rh 1dyz -0.001116 -0.004851 0.002094 -0.002744 -0.003670 0.000344 1Rh 1dx2y2 0.001938 -0.002948 -0.000731 -0.001408 -0.005204 0.002277 1Rh 1dxy 0.000418 -0.001771 0.004054 0.001605 0.006326 -0.006339 1Rh 2dz2 -0.001116 -0.001091 -0.000272 0.000606 -0.000023 -0.000107 1Rh 2dxz 0.001706 0.001638 0.000082 -0.000441 0.000530 0.000380 1Rh 2dyz -0.000790 0.000330 0.000335 -0.000013 0.000234 -0.000220 1Rh 2dx2y2 -0.000299 0.000499 0.000503 0.000558 0.000235 -0.000116 1Rh 2dxy 0.000199 -0.000294 -0.001483 -0.000969 -0.000823 0.000625 1Rh 3dz2 -0.043331 -0.030999 0.005081 -0.000524 -0.015553 -0.007752 1Rh 3dxz 0.022666 0.025080 0.000383 -0.000022 0.017449 0.007401 1Rh 3dyz 0.005346 0.007660 -0.005126 0.004987 0.005843 0.000257 1Rh 3dx2y2 -0.002320 0.003461 -0.000682 0.000333 0.008781 -0.003738 1Rh 3dxy -0.001564 0.004515 -0.001349 0.000971 -0.008408 0.009271 1Rh 4dz2 -0.044654 -0.036745 -0.002064 0.009805 -0.009339 -0.006569 1Rh 4dxz 0.040606 0.041368 0.001962 -0.007402 0.018700 0.010594 1Rh 4dyz -0.007927 0.010682 -0.000906 0.006338 0.008273 -0.003295 1Rh 4dx2y2 -0.007307 0.009523 0.007444 0.009078 0.008470 -0.004712 1Rh 4dxy 0.002128 -0.001671 -0.025618 -0.013839 -0.018326 0.015947 1Rh 5dz2 -0.071711 -0.034948 0.046236 -0.044034 -0.062535 -0.018037 1Rh 5dxz -0.008787 -0.007922 -0.011891 0.026159 0.036964 -0.000556 1Rh 5dyz 0.035956 -0.012620 0.026757 -0.041992 -0.017789 0.013420 1Rh 5dx2y2 0.023335 -0.010845 -0.019622 -0.028142 0.024079 0.009062 1Rh 5dxy -0.017792 0.024419 0.090790 0.032157 0.017535 -0.012786 1Rh 1f0 -0.000930 0.002154 0.004893 0.004851 0.002490 0.000487 1Rh 1f+1 -0.002140 -0.002108 0.002625 -0.000571 0.001863 -0.000036 1Rh 1f-1 -0.000703 0.001823 0.003446 0.005133 0.004337 0.003251 1Rh 1f+2 -0.000956 0.001885 0.003545 0.003379 -0.001467 -0.001063 1Rh 1f-2 -0.007320 0.001210 0.004152 0.001441 -0.001065 0.000906 1Rh 1f+3 0.004477 -0.001741 -0.000926 0.000330 0.001456 0.000905 1Rh 1f-3 0.001404 0.002653 -0.007007 -0.003278 0.001908 -0.000920 2C 1s -0.021564 -0.006489 -0.013399 0.005382 0.028250 -0.001360 2C 2s -0.045178 -0.013672 -0.028258 0.011403 0.059651 -0.002892 2C 3s -0.078926 -0.033064 -0.020194 0.015864 0.041476 -0.008486 2C 4s 1.363759 0.436867 0.610586 -0.292112 -1.376485 0.120058 2C 5s -2.085300 0.754233 -3.757798 -0.577578 7.741810 -0.330322 2C 1pz -0.017618 0.013612 0.022976 0.015237 0.059140 0.072673 2C 1px -0.014363 0.000618 0.053820 -0.007346 0.015179 0.048755 2C 1py 0.021906 -0.017377 -0.144011 0.030003 0.020571 -0.126821 2C 2pz -0.029498 0.076289 0.048993 0.052575 0.331836 0.281609 2C 2px -0.100636 -0.020385 0.207234 -0.019778 0.078425 0.201388 2C 2py 0.122438 -0.018851 -0.599566 0.083533 0.155261 -0.513701 2C 3pz 0.273699 0.123747 -1.070547 -0.253493 1.238662 -0.290735 2C 3px 0.102790 -0.096517 -0.629578 -0.172184 0.129207 -0.350558 2C 3py 0.024124 0.861486 0.281317 -0.474521 0.960991 0.809019 2C 1dz2 0.002595 0.003147 0.004269 -0.001303 -0.000602 0.002880 2C 1dxz -0.002226 0.002527 0.005426 -0.002320 0.001245 0.005357 2C 1dyz 0.004150 0.000335 -0.000219 -0.000813 -0.002569 -0.001874 2C 1dx2y2 -0.000822 0.001549 0.002756 0.000299 0.000944 0.002841 2C 1dxy 0.002757 0.000542 -0.004314 -0.000654 -0.000366 -0.003415 2C 2dz2 -0.006296 0.059200 -0.038166 -0.032694 0.024247 -0.049164 2C 2dxz 0.000987 0.035111 -0.043295 0.022581 0.033699 -0.043052 2C 2dyz -0.011968 -0.038015 -0.008279 0.013497 0.059255 0.029230 2C 2dx2y2 -0.018483 0.030873 -0.009837 -0.001505 -0.009912 -0.036607 2C 2dxy -0.028857 -0.008031 0.015977 0.005962 0.032589 0.019352 2C 1f0 0.004416 0.001753 -0.006153 -0.001641 -0.006413 -0.008900 2C 1f+1 -0.000592 -0.000968 0.006372 0.000376 0.000831 0.007421 2C 1f-1 0.005790 0.002689 0.001510 -0.000625 -0.002062 0.001868 2C 1f+2 -0.010400 -0.003711 -0.008925 0.004832 0.009244 -0.004605 2C 1f-2 0.012397 0.005537 -0.000459 -0.001966 -0.010150 -0.004800 2C 1f+3 -0.010368 -0.003625 -0.012765 0.004221 0.011094 -0.009850 2C 1f-3 -0.003077 -0.001962 0.004731 -0.000921 0.002433 0.005227 3C 1s 0.007085 -0.030287 0.004883 -0.008131 0.000918 0.017044 3C 2s 0.014772 -0.063397 0.010321 -0.016956 0.001749 0.036430 3C 3s 0.007300 -0.089966 0.002437 -0.027001 -0.007532 0.020591 3C 4s -0.289380 1.766861 -0.165847 0.443583 -0.005546 -0.807597 3C 5s 3.070807 -5.791846 -0.324293 -1.914420 2.193191 3.957621 3C 1pz 0.046413 -0.078525 0.009190 -0.165758 0.045134 -0.102640 3C 1px 0.032489 -0.028312 0.008620 -0.064205 0.020883 -0.019828 3C 1py -0.020514 0.012008 -0.015730 -0.049798 0.015712 -0.082634 3C 2pz 0.158986 -0.321408 0.018902 -0.643027 0.221029 -0.377603 3C 2px 0.164732 -0.122553 0.045452 -0.247829 0.105500 -0.050115 3C 2py -0.114101 0.043654 -0.091632 -0.215715 0.026725 -0.393397 3C 3pz -0.116219 0.061127 -0.130830 0.797663 0.285170 1.258036 3C 3px 0.000107 -0.248167 0.000282 0.239767 0.214055 0.352817 3C 3py -1.048862 0.616807 0.028790 0.785942 -0.519374 -0.194169 3C 1dz2 0.002210 -0.000720 0.000524 -0.000756 -0.000176 -0.000093 3C 1dxz 0.002026 -0.000161 0.001062 -0.003453 0.001026 -0.002813 3C 1dyz -0.001111 -0.002632 0.001990 0.003614 -0.001881 0.005200 3C 1dx2y2 0.003614 -0.003374 0.001589 -0.007519 0.000915 -0.004307 3C 1dxy -0.000234 -0.004012 -0.000253 -0.004280 -0.000079 -0.002412 3C 2dz2 0.026838 0.028969 0.026636 0.011140 -0.044920 -0.015059 3C 2dxz 0.032119 0.015457 0.004953 0.027383 -0.026035 0.027489 3C 2dyz -0.032296 0.017207 -0.041696 -0.040822 0.032327 -0.047199 3C 2dx2y2 0.028030 0.022745 -0.014684 0.038199 -0.065047 -0.007750 3C 2dxy -0.020496 0.029645 0.014312 0.030672 -0.012177 -0.015985 3C 1f0 -0.002022 0.010754 -0.001162 0.013673 -0.005996 0.004524 3C 1f+1 0.000070 0.005059 0.001185 0.005213 -0.001598 0.001290 3C 1f-1 0.000638 0.005570 -0.002149 -0.008407 0.005490 -0.010240 3C 1f+2 0.004196 -0.019334 0.001233 -0.006947 -0.000825 0.008187 3C 1f-2 0.001080 -0.014082 0.001096 -0.005615 -0.000305 0.004363 3C 1f+3 -0.000186 0.005180 0.000626 0.009457 -0.003999 0.006607 3C 1f-3 -0.001403 0.000278 -0.003781 -0.000614 -0.000350 -0.002595 4C 1s 0.012005 0.001343 0.014895 -0.003185 -0.021123 -0.000643 4C 2s 0.025283 0.002708 0.031981 -0.007026 -0.045278 -0.001164 4C 3s 0.020138 0.046267 -0.038649 0.016611 0.075214 0.017547 4C 4s -0.573415 -0.360202 -0.298324 -0.026911 0.392172 -0.090242 4C 5s 1.587863 -0.822359 3.339157 0.464134 -5.474576 -0.216629 4C 1pz 0.042616 -0.011895 -0.046176 0.051434 0.031676 0.011272 4C 1px -0.052724 -0.044950 -0.026280 0.001872 0.008444 0.011174 4C 1py -0.045710 0.052859 -0.014747 -0.001300 0.005370 -0.021564 4C 2pz 0.052438 -0.136218 -0.028753 0.047223 -0.016821 0.028998 4C 2px -0.212296 -0.287747 0.075749 0.177877 -0.186031 -0.063752 4C 2py -0.146055 0.097330 0.007137 0.009813 -0.094366 -0.157348 4C 3pz 1.092558 1.457440 -1.148471 -1.201993 2.080402 -0.174107 4C 3px 0.551272 0.684208 0.007780 0.146245 0.430125 -0.050498 4C 3py 1.034858 0.049914 -0.555258 -0.395608 1.411070 0.326492 4C 1dz2 0.007589 0.003893 -0.010407 -0.000362 0.010001 -0.001841 4C 1dxz 0.010862 0.003343 -0.005368 0.003927 0.000469 -0.004359 4C 1dyz 0.000496 0.003367 -0.003981 0.001650 0.008587 0.003167 4C 1dx2y2 -0.007769 -0.009437 0.002333 -0.001264 -0.007167 -0.005756 4C 1dxy -0.004491 -0.004575 0.002303 -0.000096 -0.003640 0.000194 4C 2dz2 -0.040283 -0.047866 -0.040487 -0.022954 -0.062466 -0.012678 4C 2dxz -0.079710 -0.061215 0.043605 0.094445 -0.037137 -0.002809 4C 2dyz -0.055246 -0.019793 0.121415 -0.030354 -0.108599 -0.002679 4C 2dx2y2 0.021256 -0.074572 0.015695 0.020340 -0.039070 -0.020375 4C 2dxy 0.056839 -0.017064 -0.009101 0.023083 -0.072142 -0.067649 4C 1f0 0.003486 0.000207 -0.000927 0.001052 0.002363 0.004362 4C 1f+1 0.001397 0.005535 0.000647 0.001548 0.005968 0.003271 4C 1f-1 0.004557 0.003624 0.000508 -0.002037 0.002815 0.002096 4C 1f+2 -0.001680 -0.006474 0.001759 -0.002072 -0.002025 0.001928 4C 1f-2 0.001389 -0.002815 0.001295 0.003119 -0.001427 0.001290 4C 1f+3 0.005474 0.005090 -0.002192 -0.004040 0.002576 -0.000162 4C 1f-3 0.003952 0.007576 -0.004207 -0.000907 0.007879 0.004630 5C 1s -0.008487 0.022213 -0.009431 0.009305 -0.002495 -0.010955 5C 2s -0.018214 0.047274 -0.020762 0.019781 -0.005722 -0.023306 5C 3s 0.057088 -0.023408 0.021437 -0.023065 0.045298 0.016459 5C 4s -0.036602 -0.673903 0.338036 -0.068382 -0.188615 0.437582 5C 5s -2.402346 4.386956 -0.259635 1.919969 -1.474695 -2.595480 5C 1pz -0.022065 -0.008773 -0.007735 -0.014411 0.065671 0.019030 5C 1px 0.077262 -0.010262 0.027367 -0.018474 0.043352 -0.003774 5C 1py -0.038583 0.053183 -0.036340 0.071200 0.035808 0.039947 5C 2pz -0.274232 -0.062621 0.077174 0.014111 0.101377 0.036641 5C 2px 0.269245 0.060569 -0.231847 -0.132265 0.177222 -0.070358 5C 2py 0.059481 0.056540 -0.187666 -0.009395 0.214306 0.059747 5C 3pz 1.344618 -0.036439 -0.009479 0.048149 0.168788 0.533042 5C 3px 0.347887 0.234025 -0.665635 -0.200926 0.161495 0.497924 5C 3py -1.036097 0.139129 0.599285 0.173379 -1.627101 -1.131233 5C 1dz2 0.001099 0.004028 0.001350 0.001843 0.002942 0.002718 5C 1dxz 0.006603 0.004687 -0.002206 -0.001401 0.005404 0.002676 5C 1dyz -0.002887 0.004217 -0.005653 -0.000757 0.000022 -0.007342 5C 1dx2y2 -0.011730 0.001967 -0.003766 0.011291 -0.007311 0.004005 5C 1dxy -0.004950 0.000627 0.001618 0.006232 -0.005664 0.001875 5C 2dz2 -0.024721 -0.040983 0.027356 0.062824 0.004781 0.064861 5C 2dxz -0.056355 -0.069081 -0.090115 -0.055843 0.011533 -0.027327 5C 2dyz 0.134631 -0.026838 0.004232 -0.086371 0.048436 0.034506 5C 2dx2y2 -0.015240 0.037448 -0.049115 0.004303 0.023831 0.023975 5C 2dxy -0.030557 -0.034488 0.116077 -0.009397 0.010898 0.013134 5C 1f0 0.006997 -0.000913 -0.004160 -0.003393 0.003095 -0.000566 5C 1f+1 -0.000450 -0.003390 0.003764 -0.001297 0.000457 0.000352 5C 1f-1 0.003279 0.000635 -0.000621 0.000169 -0.004574 -0.000024 5C 1f+2 -0.005753 -0.004170 -0.000627 -0.001895 -0.001342 -0.000833 5C 1f-2 -0.006803 -0.001103 0.007518 0.004784 -0.007830 0.001158 5C 1f+3 0.003900 0.001092 0.002866 0.002108 0.002116 0.001587 5C 1f-3 -0.004484 0.000629 0.000514 0.000200 -0.003575 -0.000243 6C 1s 0.008719 -0.022287 -0.010140 0.008600 0.002085 0.012097 6C 2s 0.018754 -0.047422 -0.022321 0.018233 0.004744 0.025837 6C 3s -0.057477 0.024433 0.027227 -0.018966 -0.043310 -0.017867 6C 4s 0.018822 0.663772 0.327358 -0.071129 0.218557 -0.484708 6C 5s 2.369928 -4.425348 -0.480390 1.722462 1.584160 2.769571 6C 1pz -0.021834 -0.009075 -0.002971 0.005758 0.065833 0.020431 6C 1px 0.077234 -0.011059 -0.031202 0.016189 0.041026 -0.001031 6C 1py -0.037173 0.054789 0.031619 -0.073027 0.032012 0.038359 6C 2pz -0.265701 -0.060315 -0.100533 -0.035621 0.084949 0.044981 6C 2px 0.251410 0.053868 0.213263 0.121131 0.216967 -0.076100 6C 2py 0.050374 0.051995 0.158200 -0.009345 0.232207 0.051382 6C 3pz 1.346213 -0.033010 0.045642 -0.007547 0.177916 0.562881 6C 3px 0.297504 0.210240 0.664290 0.205468 0.255520 0.500440 6C 3py -1.017969 0.152914 -0.416903 -0.052939 -1.683650 -1.187255 6C 1dz2 -0.001212 -0.004031 0.001786 0.002014 -0.002476 -0.002645 6C 1dxz -0.006456 -0.004565 -0.001631 -0.001063 -0.005640 -0.002576 6C 1dyz 0.003121 -0.004192 -0.005731 -0.000747 -0.000871 0.007436 6C 1dx2y2 0.011485 -0.002316 -0.004297 0.010802 0.007885 -0.003693 6C 1dxy 0.004742 -0.000736 0.000982 0.005710 0.006480 -0.001936 6C 2dz2 0.021262 0.039910 0.031640 0.065604 0.008126 -0.065744 6C 2dxz 0.062449 0.072535 -0.081807 -0.049049 -0.026785 0.031495 6C 2dyz -0.131657 0.029779 0.007596 -0.084881 -0.056290 -0.031089 6C 2dx2y2 0.016996 -0.036468 -0.046094 0.006413 -0.028281 -0.020953 6C 2dxy 0.025605 0.034156 0.117029 -0.007794 0.003501 -0.014791 6C 1f0 0.006669 -0.001037 0.003842 0.003172 0.003914 -0.000695 6C 1f+1 -0.000323 -0.003438 -0.003938 0.001139 0.000019 0.000401 6C 1f-1 0.003167 0.000625 0.001275 0.000410 -0.004389 -0.000285 6C 1f+2 -0.005866 -0.004267 0.000562 0.001683 -0.001132 -0.000786 6C 1f-2 -0.006301 -0.000840 -0.006448 -0.004097 -0.009052 0.001626 6C 1f+3 0.004049 0.001106 -0.002997 -0.002112 0.001430 0.001602 6C 1f-3 -0.004494 0.000726 -0.000018 0.000075 -0.003544 -0.000210 7C 1s -0.012525 -0.001175 0.011207 -0.006046 0.022546 0.000230 7C 2s -0.026399 -0.002325 0.024090 -0.013150 0.048329 0.000268 7C 3s -0.018123 -0.046934 -0.028935 0.023086 -0.077910 -0.013644 7C 4s 0.580516 0.356193 -0.215127 0.046287 -0.431865 0.087523 7C 5s -1.728024 0.811113 2.484086 -0.148332 5.899773 0.113683 7C 1pz 0.042259 -0.010747 0.039009 -0.054411 0.032580 0.014842 7C 1px -0.052144 -0.044732 0.022029 -0.005736 0.012429 0.012585 7C 1py -0.046688 0.052516 0.012327 -0.000068 0.006394 -0.022206 7C 2pz 0.053229 -0.136173 0.025544 -0.050439 -0.016172 0.032684 7C 2px -0.201405 -0.277924 -0.059652 -0.170568 -0.207877 -0.049326 7C 2py -0.144288 0.097646 0.004088 -0.002541 -0.097546 -0.152767 7C 3pz 1.000679 1.407348 0.938588 1.082468 2.324150 -0.229999 7C 3px 0.562710 0.695360 -0.031949 -0.154778 0.409468 -0.054779 7C 3py 1.002315 0.044301 0.400838 0.295841 1.527919 0.302273 7C 1dz2 -0.007207 -0.003736 -0.009025 0.000394 -0.011374 0.001765 7C 1dxz -0.010745 -0.003419 -0.005499 0.003494 -0.000862 0.003925 7C 1dyz -0.000386 -0.003398 -0.002863 0.002386 -0.008850 -0.002687 7C 1dx2y2 0.007522 0.009475 0.001622 -0.001452 0.007190 0.005349 7C 1dxy 0.004552 0.004560 0.002035 -0.000225 0.004007 0.000008 7C 2dz2 0.040792 0.049758 -0.044617 -0.024631 0.053347 0.006827 7C 2dxz 0.075472 0.056853 0.043052 0.095238 0.051629 -0.002666 7C 2dyz 0.050711 0.019582 0.108414 -0.038968 0.120963 -0.002959 7C 2dx2y2 -0.023325 0.073843 0.010416 0.016661 0.041809 0.017863 7C 2dxy -0.057062 0.016835 -0.022608 0.013631 0.071572 0.060673 7C 1f0 0.003353 0.000193 0.000705 -0.001182 0.002336 0.004140 7C 1f+1 0.001365 0.005633 -0.001413 -0.001991 0.005669 0.003000 7C 1f-1 0.004512 0.003531 -0.000615 0.001978 0.002934 0.001751 7C 1f+2 -0.001616 -0.006532 -0.001708 0.002009 -0.002027 0.001936 7C 1f-2 0.001443 -0.002699 -0.001020 -0.002938 -0.001839 0.001324 7C 1f+3 0.005234 0.004866 0.002121 0.004052 0.003231 -0.000329 7C 1f-3 0.003783 0.007479 0.003209 0.000351 0.008407 0.004258 8C 1s -0.007176 0.030550 0.005303 -0.007499 -0.000790 -0.017969 8C 2s -0.014967 0.063956 0.011189 -0.015651 -0.001443 -0.038302 8C 3s -0.006668 0.090628 0.002640 -0.025343 0.005363 -0.024435 8C 4s 0.289785 -1.779881 -0.186872 0.405920 0.014213 0.873346 8C 5s -3.032086 5.851753 -0.047567 -1.656894 -2.343605 -4.264111 8C 1pz 0.042282 -0.081773 -0.011446 0.159907 0.062273 -0.097821 8C 1px 0.029697 -0.029990 -0.010493 0.061807 0.025497 -0.021867 8C 1py -0.022367 0.011774 0.015364 0.048267 0.024018 -0.082301 8C 2pz 0.143315 -0.333962 -0.034108 0.614965 0.287484 -0.357198 8C 2px 0.154610 -0.129067 -0.055543 0.237047 0.120802 -0.058305 8C 2py -0.124650 0.041540 0.092209 0.210158 0.066181 -0.391574 8C 3pz -0.101800 0.064336 0.057157 -0.824120 0.186738 1.240497 8C 3px 0.024107 -0.236179 -0.038417 -0.267144 0.189556 0.381583 8C 3py -1.024569 0.630183 0.001006 -0.757571 -0.605099 -0.237650 8C 1dz2 -0.002234 0.000703 0.000397 -0.000848 0.000083 0.000010 8C 1dxz -0.001929 0.000258 0.001040 -0.003513 -0.001326 0.002895 8C 1dyz 0.000941 0.002593 0.001994 0.003517 0.002599 -0.005149 8C 1dx2y2 -0.003393 0.003528 0.001471 -0.007394 -0.001556 0.004105 8C 1dxy 0.000334 0.004118 -0.000212 -0.004175 -0.000448 0.002388 8C 2dz2 -0.027714 -0.029944 0.018820 0.004649 0.047844 0.017279 8C 2dxz -0.033069 -0.015890 -0.000333 0.022953 0.029089 -0.028522 8C 2dyz 0.035467 -0.015541 -0.036599 -0.035728 -0.040996 0.046748 8C 2dx2y2 -0.027513 -0.022785 -0.023947 0.029510 0.064996 0.008284 8C 2dxy 0.018847 -0.031390 0.012638 0.029832 0.016831 0.017389 8C 1f0 -0.001734 0.011106 0.001802 -0.012804 -0.007163 0.003999 8C 1f+1 0.000254 0.004758 -0.001026 -0.004602 -0.002190 0.000951 8C 1f-1 0.000281 0.005310 0.001704 0.008064 0.006773 -0.010313 8C 1f+2 0.004023 -0.019543 -0.001319 0.006704 -0.000376 0.008530 8C 1f-2 0.001058 -0.014435 -0.001269 0.005206 -0.000058 0.005075 8C 1f+3 0.000197 0.005245 -0.000233 -0.008840 -0.005034 0.006576 8C 1f-3 -0.001506 0.000148 0.003786 0.000467 0.000152 -0.002173 9C 1s 0.021735 0.006055 -0.008762 0.009195 -0.029128 0.002040 9C 2s 0.045566 0.012777 -0.018526 0.019460 -0.061486 0.004427 9C 3s 0.077853 0.031309 -0.010181 0.023428 -0.042167 0.006093 9C 4s -1.361060 -0.407940 0.365380 -0.490303 1.412371 -0.126783 9C 5s 2.201098 -0.784278 -2.616878 0.248224 -8.220880 0.404756 9C 1pz -0.018026 0.015033 -0.031888 -0.020849 0.052498 0.066215 9C 1px -0.013313 0.001719 -0.055068 0.006443 0.008402 0.044581 9C 1py 0.020124 -0.018316 0.137601 -0.032982 0.038103 -0.115449 9C 2pz -0.033511 0.081424 -0.092802 -0.082703 0.310689 0.248238 9C 2px -0.096980 -0.015788 -0.215428 0.012681 0.051254 0.183318 9C 2py 0.111984 -0.024284 0.568323 -0.100511 0.232038 -0.474646 9C 3pz 0.234655 0.104616 0.899359 0.131589 1.399870 -0.285553 9C 3px 0.067240 -0.116626 0.591748 0.152648 0.227855 -0.320867 9C 3py -0.002318 0.854989 -0.366439 0.415471 0.950323 0.697196 9C 1dz2 -0.002609 -0.003131 0.003873 -0.001586 0.001067 -0.002562 9C 1dxz 0.002156 -0.002539 0.005468 -0.002219 -0.000712 -0.004884 9C 1dyz -0.004109 -0.000305 -0.000585 -0.001239 0.002395 0.001613 9C 1dx2y2 0.000845 -0.001624 0.003009 0.000353 -0.000455 -0.002676 9C 1dxy -0.002696 -0.000442 -0.004374 -0.000756 -0.000357 0.003039 9C 2dz2 0.008819 -0.057839 -0.036132 -0.031889 -0.031597 0.050789 9C 2dxz -0.001575 -0.035337 -0.040123 0.025096 -0.036665 0.041472 9C 2dyz 0.012305 0.036425 -0.001351 0.020672 -0.058983 -0.024003 9C 2dx2y2 0.017837 -0.031011 -0.011974 -0.002576 0.008785 0.034180 9C 2dxy 0.028226 0.006902 0.020991 0.010794 -0.029722 -0.016833 9C 1f0 0.004296 0.001533 0.007274 0.002425 -0.005255 -0.008334 9C 1f+1 -0.000390 -0.000805 -0.006221 -0.000314 -0.000230 0.006675 9C 1f-1 0.005536 0.002516 -0.001033 0.001035 -0.002080 0.001706 9C 1f+2 -0.010831 -0.003708 0.006972 -0.006451 0.010149 -0.004135 9C 1f-2 0.012158 0.005173 0.002320 0.003386 -0.009493 -0.004154 9C 1f+3 -0.010182 -0.003366 0.010844 -0.005843 0.012112 -0.009586 9C 1f-3 -0.003448 -0.002002 -0.004590 0.000394 0.002348 0.004289 10H 1s -0.008511 -0.007982 -0.032835 0.013147 0.032627 -0.008592 10H 2s -0.115469 -0.074742 -0.378954 0.203046 0.340174 -0.156719 10H 3s 0.552256 0.205284 0.833539 -0.243663 -0.932197 0.508343 10H 1pz -0.008898 -0.001169 -0.003274 0.006445 0.012287 -0.000247 10H 1px 0.007960 0.003458 0.017539 -0.007143 -0.014512 0.010983 10H 1py 0.002508 0.004851 -0.012188 0.001152 0.004370 -0.012573 11H 1s -0.034958 0.012504 0.024732 -0.000870 0.044945 0.044804 11H 2s -0.431148 -0.082018 0.466814 0.034236 0.405871 0.690895 11H 3s 1.033610 -0.179352 -0.897239 -0.032139 -1.216918 -1.261575 11H 1pz -0.018090 -0.021603 0.011934 0.009035 0.008719 0.021497 11H 1px -0.017507 -0.008338 0.013510 0.001065 0.012312 0.018896 11H 1py 0.014213 -0.006319 -0.015649 0.002871 -0.013089 -0.016715 12H 1s -0.008763 -0.018275 -0.058090 0.010169 0.034800 -0.031542 12H 2s -0.150591 -0.139272 -0.687706 0.101764 0.275914 -0.558902 12H 3s 0.762309 0.590852 1.380042 -0.287176 -0.896278 1.200326 12H 1pz -0.003833 0.008118 0.011877 -0.003608 -0.006142 0.004613 12H 1px -0.010251 -0.003305 -0.006353 0.000329 0.005620 -0.006261 12H 1py -0.014331 -0.000637 -0.029263 0.002670 0.011311 -0.031345 13H 1s 0.015219 -0.036835 0.007205 -0.026062 0.003695 0.006134 13H 2s 0.069038 -0.430532 0.035454 -0.315108 0.027723 0.036110 13H 3s -0.096539 1.443542 0.119115 0.682978 -0.155035 -0.096182 13H 1pz -0.004455 -0.023457 -0.004056 -0.019870 0.006148 -0.005075 13H 1px -0.004708 0.013956 0.000471 0.005329 -0.000528 -0.004997 13H 1py 0.004151 0.008374 0.001330 -0.001769 0.003041 -0.007361 14H 1s 0.034625 -0.046550 0.015221 -0.057814 0.009451 -0.011420 14H 2s 0.259402 -0.573656 0.136130 -0.776413 0.224782 -0.231816 14H 3s -0.868707 1.474285 -0.133146 1.548034 -0.447337 0.354727 14H 1pz -0.000542 -0.020210 -0.002698 -0.024180 0.012775 -0.009245 14H 1px 0.005491 -0.029310 0.003728 -0.028068 0.011369 -0.005197 14H 1py 0.007160 -0.004631 0.002944 -0.010983 -0.003335 -0.005246 15H 1s -0.001054 -0.015678 0.010025 0.038988 -0.003894 0.066263 15H 2s 0.044299 -0.072625 0.158323 0.614952 -0.266554 0.795510 15H 3s 0.215443 0.613776 -0.073367 -1.189841 0.250898 -1.816326 15H 1pz 0.005559 0.006197 -0.001695 -0.024603 0.004792 -0.029926 15H 1px 0.003152 -0.004098 0.004610 -0.000050 -0.005075 0.002707 15H 1py -0.012621 0.007141 -0.009297 -0.017828 0.020486 -0.022420 16H 1s -0.019693 0.000979 -0.028793 0.000320 -0.008069 0.007281 16H 2s -0.358081 -0.088913 -0.377260 -0.103021 -0.301618 0.069332 16H 3s 0.491089 0.227688 0.315377 -0.005561 0.284715 0.003609 16H 1pz -0.028073 -0.013591 -0.015141 -0.004239 -0.028481 -0.000670 16H 1px 0.017195 0.007855 0.006861 0.008086 0.015188 0.001023 16H 1py -0.002750 0.003562 -0.008134 -0.006865 -0.002671 0.003257 17H 1s 0.025201 0.029469 -0.013804 -0.032682 0.016281 0.013306 17H 2s 0.401991 0.336274 -0.291898 -0.389440 0.255334 0.193817 17H 3s -0.432121 -0.433254 0.114762 0.348702 -0.357963 -0.181654 17H 1pz -0.015078 -0.005109 0.001905 0.007014 -0.007380 -0.002406 17H 1px -0.029483 -0.018213 0.015875 0.013184 -0.023143 -0.010113 17H 1py 0.003893 0.003651 -0.013667 -0.010336 0.002509 0.004861 18H 1s -0.023806 -0.028361 -0.013185 -0.032353 -0.021181 -0.011582 18H 2s -0.372473 -0.317950 -0.276276 -0.380413 -0.328400 -0.167860 18H 3s 0.415524 0.423837 0.090681 0.338899 0.403890 0.163356 18H 1pz -0.014953 -0.004974 -0.001892 -0.006976 -0.008647 -0.002212 18H 1px -0.027717 -0.017431 -0.013984 -0.012098 -0.026239 -0.008940 18H 1py 0.001997 0.002667 0.013208 0.009917 0.004758 0.003819 19H 1s 0.021511 0.000148 -0.028252 0.001137 0.004772 -0.005711 19H 2s 0.382805 0.107248 -0.393728 -0.108003 0.245961 -0.048319 19H 3s -0.508172 -0.235677 0.321971 -0.009353 -0.245512 -0.013835 19H 1pz -0.028634 -0.014354 0.017243 0.005252 -0.025893 -0.001312 19H 1px 0.017809 0.008288 -0.008213 -0.008766 0.013617 0.001366 19H 1py -0.003856 0.002642 0.008471 0.006980 -0.001666 0.002454 20H 1s -0.000632 0.015184 0.011427 0.038951 0.010457 -0.065664 20H 2s -0.067595 0.063151 0.142254 0.585534 0.358686 -0.779144 20H 3s -0.175807 -0.604386 -0.096960 -1.180418 -0.418412 1.814362 20H 1pz 0.004668 0.005758 0.002063 0.024386 0.008107 -0.029802 20H 1px 0.003269 -0.004164 -0.003971 0.000387 -0.005654 0.002618 20H 1py -0.013357 0.006775 0.006630 0.015278 0.023201 -0.021988 21H 1s -0.033234 0.048020 0.015294 -0.056865 -0.013609 0.010489 21H 2s -0.239006 0.592516 0.156318 -0.746321 -0.285309 0.225588 21H 3s 0.826363 -1.510095 -0.154959 1.498699 0.587429 -0.293648 21H 1pz -0.001317 -0.021038 0.000945 0.022336 0.015327 -0.008622 21H 1px 0.004710 -0.029807 -0.005245 0.026055 0.013409 -0.004729 21H 1py 0.006913 -0.004944 -0.002037 0.011610 -0.002289 -0.005066 22H 1s -0.015032 0.037247 0.007431 -0.024823 -0.005497 -0.008083 22H 2s -0.066363 0.436563 0.038116 -0.297699 -0.054081 -0.064063 22H 3s 0.090061 -1.449316 0.096430 0.619038 0.239213 0.196838 22H 1pz -0.004977 -0.023839 0.003046 0.018217 0.008425 -0.003732 22H 1px -0.004723 0.014093 -0.000570 -0.005072 -0.001175 -0.006136 22H 1py 0.003975 0.008494 -0.001459 0.001807 0.003252 -0.007985 23H 1s 0.009617 0.018531 -0.052117 0.014943 -0.041781 0.029745 23H 2s 0.159539 0.142295 -0.638002 0.143787 -0.361541 0.529778 23H 3s -0.757265 -0.582622 1.205252 -0.432110 1.060353 -1.108222 23H 1pz -0.003697 0.008292 -0.010980 0.004479 -0.007618 0.003949 23H 1px -0.010171 -0.003102 0.004895 -0.001205 0.006231 -0.005729 23H 1py -0.014768 -0.000701 0.027053 -0.004527 0.015140 -0.029675 24H 1s 0.034997 -0.013283 0.030536 0.004140 -0.040457 -0.039107 24H 2s 0.426173 0.068314 0.520397 0.085525 -0.327050 -0.616795 24H 3s -1.010586 0.216228 -1.050123 -0.165303 1.065851 1.128794 24H 1pz -0.017492 -0.020737 -0.013785 -0.010857 0.005920 0.019958 24H 1px -0.017564 -0.007848 -0.015728 -0.002902 0.010312 0.017408 24H 1py 0.013707 -0.006753 0.017080 -0.001465 -0.010700 -0.014510 25H 1s 0.009501 0.007470 -0.026905 0.017118 -0.035108 0.008640 25H 2s 0.122811 0.070037 -0.314234 0.247761 -0.363654 0.150959 25H 3s -0.569744 -0.186487 0.645112 -0.365664 1.007898 -0.454750 25H 1pz -0.008729 -0.001026 0.001082 -0.008262 0.011853 -0.000252 25H 1px 0.008065 0.003175 -0.014778 0.009109 -0.015915 0.010366 25H 1py 0.002453 0.004662 0.011356 -0.001453 0.005746 -0.011500 26O 1s -0.006094 -0.000350 -0.003477 0.000409 0.001003 0.000493 26O 2s -0.013568 -0.000330 -0.007957 0.000217 0.002199 0.001345 26O 3s -0.000299 -0.010543 0.003295 0.014138 0.000130 -0.006169 26O 4s 0.148841 0.024294 0.114181 -0.085670 -0.084184 -0.000349 26O 5s -0.439786 0.185952 -0.508780 0.099848 0.802989 0.239078 26O 1pz -0.033298 -0.027443 0.064892 0.017562 -0.033438 -0.006465 26O 1px -0.025776 0.021614 -0.055100 0.012977 0.089065 0.025537 26O 1py 0.020304 0.019757 -0.047298 -0.006724 0.016073 -0.017844 26O 2pz -0.038266 -0.021857 0.076291 0.009250 -0.054028 -0.038699 26O 2px -0.045746 -0.000246 -0.061945 0.020874 0.072232 0.002767 26O 2py 0.048814 -0.006638 -0.050151 0.005121 0.000306 -0.029017 26O 3pz 0.045265 -0.080088 0.035420 0.169079 0.018883 0.134248 26O 3px 0.001012 -0.293493 0.298359 0.179219 -0.301915 -0.171672 26O 3py -0.171931 -0.063990 0.169857 0.139710 -0.109117 -0.031433 26O 1dz2 0.002555 0.002444 -0.000259 -0.001597 0.001409 0.000882 26O 1dxz -0.000773 0.000672 -0.002216 -0.001572 0.001393 0.000599 26O 1dyz -0.002059 -0.000767 0.000141 -0.001195 0.000016 -0.000176 26O 1dx2y2 -0.001723 -0.000829 -0.000161 0.000387 -0.001619 -0.001634 26O 1dxy -0.005699 -0.005172 0.000815 0.001580 -0.001214 -0.000124 26O 2dz2 -0.009863 -0.015837 0.010901 0.004208 -0.021195 -0.002434 26O 2dxz -0.013613 -0.003643 0.005575 -0.006264 -0.004680 0.002967 26O 2dyz -0.002912 0.002834 0.004284 0.006397 0.008676 -0.002005 26O 2dx2y2 0.004031 0.015789 -0.013938 -0.004690 0.029438 0.013886 26O 2dxy 0.001917 0.006795 -0.017811 -0.003086 0.022960 0.001287 26O 1f0 -0.001279 -0.000286 0.000597 -0.000609 -0.000852 0.000294 26O 1f+1 0.001491 0.001724 -0.000786 -0.000398 0.001423 0.000641 26O 1f-1 0.000893 0.000566 0.000249 0.000009 -0.000222 -0.000086 26O 1f+2 0.000182 0.000576 -0.000842 0.000351 0.001146 -0.000088 26O 1f-2 0.000646 0.000034 -0.000160 0.000666 -0.000153 -0.000305 26O 1f+3 -0.000126 0.000189 -0.000524 0.000401 0.000923 0.000628 26O 1f-3 0.001365 0.001390 -0.001022 -0.000672 0.001841 0.000577 27O 1s 0.003644 -0.004629 0.002855 0.000756 0.001093 -0.001104 27O 2s 0.007735 -0.010369 0.006544 0.002549 0.002056 -0.002667 27O 3s 0.007967 0.001204 -0.005003 -0.019468 0.007008 0.003736 27O 4s -0.153563 0.149058 -0.083788 0.104324 -0.076690 0.008514 27O 5s 0.293732 -0.852027 0.655189 -0.454736 0.134568 0.164736 27O 1pz -0.060378 0.001564 -0.049441 -0.024770 -0.009374 -0.017079 27O 1px 0.072134 -0.057363 0.031200 -0.073907 0.038938 0.016455 27O 1py 0.000038 -0.031476 0.019762 -0.031222 0.012875 -0.008259 27O 2pz -0.079296 -0.001926 -0.067465 -0.033320 -0.027481 -0.023566 27O 2px 0.090088 -0.055421 0.000239 -0.108515 0.043407 0.006794 27O 2py 0.010714 -0.047522 0.054608 -0.030497 -0.001489 0.006249 27O 3pz 0.047319 0.062762 0.142561 -0.004897 0.044416 0.049727 27O 3px 0.129929 0.288348 -0.283853 0.076740 0.053888 0.002956 27O 3py -0.038609 -0.052203 -0.108397 0.073617 0.071546 -0.073286 27O 1dz2 -0.001145 0.001198 0.000010 0.000006 0.000631 -0.000238 27O 1dxz 0.003623 0.001110 0.002996 0.001529 -0.000556 0.000541 27O 1dyz -0.000464 0.000394 -0.000301 -0.001690 0.000413 0.000284 27O 1dx2y2 0.003080 0.000071 -0.000704 -0.000987 0.000587 0.000265 27O 1dxy -0.000031 0.001946 -0.001090 -0.000176 -0.000441 -0.001370 27O 2dz2 -0.014511 0.008024 -0.010776 0.007555 -0.005773 -0.006977 27O 2dxz -0.006188 -0.001188 -0.001535 0.000065 -0.003856 -0.008463 27O 2dyz 0.001406 0.008625 0.004152 0.009630 -0.002101 0.000301 27O 2dx2y2 0.007770 -0.023161 0.025278 -0.008750 0.005520 0.000598 27O 2dxy 0.006794 0.008498 -0.006652 -0.007312 0.001934 -0.004554 27O 1f0 -0.000832 -0.000844 -0.000209 0.000184 -0.000524 -0.000412 27O 1f+1 0.000319 -0.000403 0.001287 0.000102 -0.000016 0.000063 27O 1f-1 0.000547 0.000313 -0.000161 -0.000228 0.000580 0.000280 27O 1f+2 0.002123 -0.000096 0.000767 -0.000242 0.000836 0.000764 27O 1f-2 -0.000153 -0.001301 0.000016 -0.000334 -0.000159 0.000043 27O 1f+3 -0.000533 -0.000597 0.001272 -0.000416 0.000449 0.000058 27O 1f-3 0.000866 -0.000394 -0.000587 -0.001202 0.000339 -0.000647 28O 1s -0.000434 0.001755 0.001589 0.001616 0.002103 0.000506 28O 2s -0.001334 0.003855 0.004243 0.003240 0.003619 0.000997 28O 3s 0.007980 0.000305 -0.015767 0.004842 0.019738 0.001670 28O 4s -0.035462 -0.062472 0.053486 -0.095855 -0.177580 -0.022973 28O 5s -0.239966 0.057557 -0.296640 0.713263 0.587705 0.079214 28O 1pz 0.040080 0.009645 -0.037556 -0.010818 -0.000487 -0.000072 28O 1px -0.013134 -0.034131 0.051644 -0.044776 -0.081914 -0.005936 28O 1py -0.041154 -0.017569 0.035699 -0.004410 -0.035370 -0.032062 28O 2pz 0.075617 0.029649 -0.062078 -0.050065 -0.013574 -0.010110 28O 2px -0.007481 -0.021115 0.071435 -0.038725 -0.103666 -0.007044 28O 2py -0.067290 -0.044262 0.045315 -0.016603 -0.059468 -0.055057 28O 3pz 0.007061 -0.120376 0.091652 -0.008323 0.112272 0.088861 28O 3px -0.280504 -0.173508 -0.015743 0.309694 0.029399 0.002615 28O 3py 0.197385 0.142381 -0.148437 0.083521 0.121168 0.042025 28O 1dz2 -0.001332 0.000238 0.002591 0.001502 0.001761 0.000954 28O 1dxz 0.000765 0.000136 0.000457 0.000753 -0.002075 -0.000205 28O 1dyz -0.000081 -0.001140 -0.000496 0.000153 -0.000230 -0.000190 28O 1dx2y2 0.000701 0.000237 -0.001248 -0.001169 0.000504 0.000103 28O 1dxy -0.002205 0.000800 0.003022 -0.000679 -0.001032 0.000189 28O 2dz2 -0.006192 -0.006402 0.005074 0.004981 -0.008766 -0.006137 28O 2dxz 0.000628 -0.008849 0.006349 -0.015684 -0.011651 0.001521 28O 2dyz -0.000401 0.003603 -0.003036 -0.004073 0.004160 0.000832 28O 2dx2y2 -0.003798 -0.004516 -0.010839 0.016364 0.012234 -0.001090 28O 2dxy 0.001820 0.008636 -0.007191 -0.003929 0.008336 0.001003 28O 1f0 0.000260 0.000998 0.000088 0.000546 0.001011 0.000422 28O 1f+1 -0.001067 -0.000517 0.000791 0.000495 -0.001254 -0.000403 28O 1f-1 0.000362 0.000039 -0.000022 -0.000026 -0.000481 -0.000219 28O 1f+2 -0.000409 -0.000105 0.000469 -0.001028 -0.000483 0.000161 28O 1f-2 -0.000712 -0.000421 0.000817 -0.000235 -0.000779 -0.000068 28O 1f+3 -0.000549 -0.000445 0.000801 -0.000762 -0.000981 -0.000108 28O 1f-3 0.000439 -0.000056 0.000444 -0.000084 -0.000202 0.000086 29O 1s -0.001276 0.006372 -0.011134 -0.008300 0.000521 0.005173 29O 2s -0.002978 0.014459 -0.024916 -0.018507 0.000991 0.011917 29O 3s 0.003159 -0.005115 0.001833 0.000485 0.002713 -0.007049 29O 4s 0.023780 -0.148197 0.256915 0.196529 -0.039367 -0.096853 29O 5s -0.034580 0.047863 0.053438 0.021129 0.115982 -0.055707 29O 1pz -0.050272 -0.043622 -0.032873 0.029639 -0.007681 -0.004890 29O 1px -0.009709 -0.041072 0.019076 0.034707 -0.010085 -0.021412 29O 1py 0.013935 0.014949 0.025035 0.011460 0.026573 -0.014872 29O 2pz -0.140023 -0.103774 -0.077299 0.063597 -0.047423 -0.011475 29O 2px -0.019500 -0.096760 0.057737 0.085979 -0.023954 -0.058318 29O 2py 0.039827 0.029114 0.057209 0.028422 0.055830 -0.031337 29O 3pz -0.119377 -0.003395 0.082065 -0.031571 -0.218508 -0.037832 29O 3px -0.165381 0.108467 -0.045264 -0.066186 -0.058443 0.088031 29O 3py -0.032161 0.056609 -0.390938 -0.273340 -0.115264 0.172517 29O 1dz2 -0.001789 -0.000085 -0.002219 -0.000449 -0.001981 0.000516 29O 1dxz 0.002378 0.001335 -0.001375 -0.002211 0.001592 0.000705 29O 1dyz -0.005024 -0.002347 -0.000200 0.001520 -0.004458 -0.000813 29O 1dx2y2 0.000444 0.000304 0.000788 0.000147 0.000690 -0.000258 29O 1dxy -0.002810 -0.001034 0.001129 0.001511 -0.001538 -0.000845 29O 2dz2 0.018555 0.013677 -0.000853 -0.003594 0.018693 0.004240 29O 2dxz -0.026183 -0.013835 -0.002328 -0.000419 -0.019216 -0.003341 29O 2dyz 0.015461 0.004726 0.003625 0.000738 0.013349 0.002582 29O 2dx2y2 -0.011764 -0.008844 0.002881 0.003865 -0.010075 -0.002187 29O 2dxy 0.004508 0.003012 -0.013640 -0.010893 0.004822 0.004364 29O 1f0 -0.001108 -0.000186 -0.001911 -0.001053 -0.000970 0.000467 29O 1f+1 -0.001558 -0.001245 0.000650 0.000805 -0.001130 -0.000518 29O 1f-1 -0.001652 -0.000496 -0.002140 -0.001284 -0.001569 0.000356 29O 1f+2 0.001286 0.000509 0.000781 0.000573 0.001158 -0.000059 29O 1f-2 0.002477 0.001797 -0.001262 -0.001407 0.001797 0.000778 29O 1f+3 -0.001166 -0.000955 0.000783 0.000708 -0.000820 -0.000394 29O 1f-3 -0.001363 -0.000864 0.000543 0.000670 -0.000750 -0.000420 30O 1s -0.001550 -0.005048 -0.001999 -0.003671 -0.000127 -0.000974 30O 2s -0.003103 -0.010913 -0.005672 -0.008288 0.000104 -0.002601 30O 3s -0.007969 -0.006516 0.026031 0.002171 -0.008124 0.008014 30O 4s 0.030845 0.178512 -0.058411 0.128486 0.006406 -0.003974 30O 5s 0.383987 -0.597318 -0.147423 -0.604024 0.188626 0.096766 30O 1pz 0.017528 0.002995 0.014378 -0.000414 0.026325 0.009446 30O 1px -0.061546 0.057882 0.005912 0.080208 -0.026792 -0.013196 30O 1py 0.045421 0.016801 -0.006186 -0.003035 0.013446 0.007558 30O 2pz 0.032663 0.024066 0.034166 0.006745 0.022924 0.013109 30O 2px -0.050209 0.086514 -0.021386 0.094223 -0.008185 -0.019866 30O 2py 0.108579 0.019980 -0.019024 -0.013330 0.021303 0.020799 30O 3pz -0.386390 -0.100685 0.306361 0.099443 -0.105819 -0.000682 30O 3px 0.311579 -0.183669 -0.246967 -0.364155 0.106570 -0.093383 30O 3py -0.047528 -0.081535 -0.390035 -0.254747 0.142154 -0.168183 30O 1dz2 0.002154 -0.000265 -0.001172 -0.003064 0.000484 -0.001383 30O 1dxz 0.003228 0.002864 -0.003315 0.000438 0.003010 0.000226 30O 1dyz 0.002291 0.002204 -0.000251 -0.000313 0.002037 -0.001174 30O 1dx2y2 -0.000991 0.000386 0.002355 0.000961 0.000096 -0.000630 30O 1dxy -0.002513 -0.001592 0.003000 0.001979 -0.001790 0.002286 30O 2dz2 -0.016643 0.002749 -0.007352 0.006023 -0.010407 -0.002084 30O 2dxz -0.031799 0.002193 0.009843 0.017160 -0.011989 0.000278 30O 2dyz -0.003421 0.007277 0.002923 0.001910 -0.007896 -0.003258 30O 2dx2y2 0.013516 -0.008603 -0.002128 -0.012469 0.007232 0.002218 30O 2dxy 0.010380 -0.005609 -0.019721 -0.016680 0.011420 -0.000615 30O 1f0 0.001678 -0.000282 -0.000924 -0.001199 0.001012 0.000006 30O 1f+1 -0.000492 0.000000 -0.000922 0.000171 -0.000667 -0.000330 30O 1f-1 -0.000575 -0.000164 -0.000523 0.000595 -0.000088 0.000340 30O 1f+2 -0.001089 -0.000219 -0.000525 0.000590 -0.000663 0.000081 30O 1f-2 -0.001449 -0.000354 0.001316 0.000488 -0.000688 0.000302 30O 1f+3 -0.000298 0.001014 -0.000838 0.000606 0.000066 -0.000166 30O 1f-3 -0.001758 -0.000594 0.000474 0.000598 -0.001432 -0.000410 31O 1s 0.001856 0.005164 -0.001767 -0.003380 -0.000368 0.001109 31O 2s 0.003861 0.011186 -0.005084 -0.007595 -0.001349 0.002920 31O 3s 0.006352 0.006160 0.024514 0.001292 0.011168 -0.008638 31O 4s -0.033479 -0.181280 -0.061268 0.121682 -0.002826 0.002221 31O 5s -0.356380 0.617326 -0.112931 -0.570061 -0.261088 -0.083849 31O 1pz 0.019354 0.004012 -0.016425 -0.001522 0.025354 0.012496 31O 1px -0.058497 0.060543 -0.001371 -0.076495 -0.034662 -0.013485 31O 1py 0.043781 0.016012 0.006681 0.003859 0.014825 0.007066 31O 2pz 0.035603 0.025690 -0.032592 -0.006664 0.019650 0.018481 31O 2px -0.047762 0.089500 0.024393 -0.091274 -0.014111 -0.020911 31O 2py 0.105542 0.018161 0.020033 0.015647 0.025769 0.017420 31O 3pz -0.361524 -0.091237 -0.308002 -0.100934 -0.151239 0.004262 31O 3px 0.283111 -0.201110 0.227921 0.350978 0.169229 -0.117325 31O 3py -0.078749 -0.093101 0.360135 0.227494 0.207585 -0.171012 31O 1dz2 -0.001941 0.000410 -0.001171 -0.003075 -0.000932 0.001570 31O 1dxz -0.003068 -0.002810 -0.003041 0.000575 -0.003308 -0.000099 31O 1dyz -0.002276 -0.002199 -0.000082 -0.000228 -0.002095 0.001216 31O 1dx2y2 0.000820 -0.000465 0.002338 0.000971 0.000272 0.000410 31O 1dxy 0.002280 0.001497 0.002843 0.001893 0.002359 -0.002408 31O 2dz2 0.016834 -0.002749 -0.008247 0.005557 0.010285 0.002435 31O 2dxz 0.030652 -0.002816 0.009004 0.016596 0.014921 -0.000421 31O 2dyz 0.003576 -0.007211 0.001575 0.000721 0.008172 0.003582 31O 2dx2y2 -0.012896 0.009156 -0.001049 -0.011562 -0.008295 -0.001958 31O 2dxy -0.008737 0.006456 -0.017800 -0.015156 -0.015114 0.001370 31O 1f0 0.001578 -0.000336 0.000812 0.001118 0.001227 -0.000036 31O 1f+1 -0.000538 -0.000024 0.000984 -0.000128 -0.000579 -0.000364 31O 1f-1 -0.000591 -0.000158 0.000488 -0.000621 -0.000111 0.000327 31O 1f+2 -0.001097 -0.000193 0.000584 -0.000556 -0.000643 0.000077 31O 1f-2 -0.001361 -0.000317 -0.001246 -0.000452 -0.000884 0.000355 31O 1f+3 -0.000317 0.001028 0.000835 -0.000584 0.000128 -0.000206 31O 1f-3 -0.001706 -0.000555 -0.000321 -0.000509 -0.001519 -0.000375 32O 1s 0.002200 -0.005768 -0.010924 -0.008096 -0.002604 -0.004362 32O 2s 0.005054 -0.013097 -0.024475 -0.018070 -0.005638 -0.010086 32O 3s -0.003484 0.004817 0.002267 0.000749 -0.002640 0.006673 32O 4s -0.044080 0.135300 0.247808 0.189085 0.088408 0.078442 32O 5s 0.028100 -0.053470 0.070798 0.031974 -0.106664 0.054569 32O 1pz -0.052325 -0.044250 0.030588 -0.032665 -0.007122 -0.004781 32O 1px -0.007401 -0.039621 -0.018542 -0.034509 -0.015524 -0.019463 32O 1py 0.015593 0.015468 -0.027478 -0.014212 0.022294 -0.014146 32O 2pz -0.144477 -0.105331 0.075197 -0.068393 -0.045260 -0.011433 32O 2px -0.012601 -0.092450 -0.056141 -0.085281 -0.038326 -0.052499 32O 2py 0.042987 0.029928 -0.061652 -0.034007 0.045433 -0.029685 32O 3pz -0.112028 -0.006273 -0.064934 0.044845 -0.225099 -0.041359 32O 3px -0.170567 0.104762 0.044982 0.066826 -0.048415 0.082639 32O 3py -0.072250 0.034426 0.400890 0.280357 -0.048250 0.148933 32O 1dz2 0.001692 0.000081 -0.002351 -0.000588 0.001463 -0.000427 32O 1dxz -0.002353 -0.001294 -0.001266 -0.002174 -0.002073 -0.000607 32O 1dyz 0.005033 0.002367 -0.000617 0.001301 0.004626 0.000784 32O 1dx2y2 -0.000650 -0.000410 0.000851 0.000137 -0.000706 0.000217 32O 1dxy 0.002624 0.000918 0.001039 0.001395 0.001765 0.000720 32O 2dz2 -0.017193 -0.013190 0.000665 -0.002797 -0.018180 -0.003778 32O 2dxz 0.026472 0.014120 -0.003371 -0.000788 0.019232 0.003338 32O 2dyz -0.015806 -0.005240 0.004759 0.001383 -0.013243 -0.002818 32O 2dx2y2 0.011865 0.009058 0.002207 0.003506 0.011253 0.002153 32O 2dxy -0.002421 -0.001922 -0.012994 -0.010395 -0.006797 -0.003312 32O 1f0 -0.001181 -0.000277 0.001824 0.000985 -0.000592 0.000331 32O 1f+1 -0.001515 -0.001243 -0.000648 -0.000842 -0.001322 -0.000480 32O 1f-1 -0.001803 -0.000592 0.002306 0.001361 -0.001159 0.000257 32O 1f+2 0.001352 0.000542 -0.000974 -0.000691 0.001001 -0.000037 32O 1f-2 0.002345 0.001712 0.001083 0.001300 0.002080 0.000655 32O 1f+3 -0.000994 -0.000854 -0.000682 -0.000619 -0.000903 -0.000301 32O 1f-3 -0.001350 -0.000852 -0.000472 -0.000632 -0.000922 -0.000377 33O 1s 0.000298 -0.001892 0.002063 0.001881 -0.001765 -0.000828 33O 2s 0.001018 -0.004188 0.005186 0.003742 -0.002838 -0.001775 33O 3s -0.007557 0.000270 -0.013595 0.006495 -0.020768 -0.000477 33O 4s 0.036696 0.064245 0.026147 -0.113008 0.172794 0.026206 33O 5s 0.232659 -0.077254 -0.195799 0.784826 -0.543530 -0.080960 33O 1pz 0.036734 0.008031 0.038665 0.012229 0.004915 -0.001417 33O 1px -0.012083 -0.035777 -0.038995 0.052504 -0.083264 -0.006136 33O 1py -0.038693 -0.016763 -0.032206 0.006070 -0.039297 -0.030181 33O 2pz 0.070139 0.025838 0.065533 0.054011 -0.000672 -0.011115 33O 2px -0.005785 -0.022708 -0.054613 0.049581 -0.107896 -0.006129 33O 2py -0.064081 -0.043220 -0.040587 0.018527 -0.063479 -0.051620 33O 3pz 0.006304 -0.121526 -0.100058 -0.003309 0.094802 0.071090 33O 3px -0.273208 -0.159434 -0.004577 -0.326705 -0.000164 0.002768 33O 3py 0.190536 0.138333 0.147675 -0.081066 0.131284 0.033625 33O 1dz2 0.001154 -0.000370 0.002818 0.001679 -0.001242 -0.000872 33O 1dxz -0.000850 -0.000165 0.000101 0.000465 0.002144 0.000029 33O 1dyz 0.000096 0.001143 -0.000495 0.000175 0.000144 0.000092 33O 1dx2y2 -0.000637 -0.000168 -0.001151 -0.001099 -0.000776 -0.000104 33O 1dxy 0.002060 -0.000844 0.002933 -0.000728 0.001366 -0.000241 33O 2dz2 0.005544 0.006161 0.003969 0.004546 0.009708 0.005194 33O 2dxz -0.000702 0.009501 0.004547 -0.016592 0.010744 -0.001540 33O 2dyz 0.001024 -0.003323 -0.002448 -0.003617 -0.004589 -0.000256 33O 2dx2y2 0.003815 0.004032 -0.008503 0.017924 -0.011961 0.000688 33O 2dxy -0.001466 -0.008379 -0.006294 -0.003364 -0.009565 -0.000519 33O 1f0 0.000263 0.001028 -0.000198 -0.000599 0.000932 0.000370 33O 1f+1 -0.001014 -0.000484 -0.000627 -0.000407 -0.001387 -0.000365 33O 1f-1 0.000349 0.000037 0.000131 0.000095 -0.000472 -0.000230 33O 1f+2 -0.000402 -0.000144 -0.000417 0.001049 -0.000441 0.000170 33O 1f-2 -0.000696 -0.000412 -0.000728 0.000283 -0.000858 -0.000059 33O 1f+3 -0.000532 -0.000469 -0.000673 0.000830 -0.001010 -0.000097 33O 1f-3 0.000449 -0.000053 -0.000390 0.000121 -0.000249 0.000090 34O 1s -0.003944 0.004536 0.003038 0.000891 -0.000709 0.000608 34O 2s -0.008468 0.010137 0.006926 0.002812 -0.001111 0.001469 34O 3s -0.006574 -0.000647 -0.004541 -0.018785 -0.009229 -0.001965 34O 4s 0.155334 -0.150051 -0.092805 0.095488 0.075643 -0.003054 34O 5s -0.306406 0.857529 0.683592 -0.421613 -0.086479 -0.173450 34O 1pz -0.063922 -0.000710 0.048403 0.023341 -0.000888 -0.019345 34O 1px 0.070231 -0.059827 -0.036171 0.069861 0.041024 0.018793 34O 1py 0.000439 -0.032206 -0.022577 0.028572 0.013642 -0.009362 34O 2pz -0.083881 -0.004801 0.068062 0.032729 -0.015308 -0.026978 34O 2px 0.085756 -0.058638 -0.005403 0.103827 0.053359 0.008169 34O 2py 0.012275 -0.048415 -0.055841 0.029246 -0.004994 0.003481 34O 3pz 0.049626 0.062767 -0.144778 0.004371 0.022435 0.050567 34O 3px 0.113719 0.285481 0.286448 -0.067063 0.082176 0.001479 34O 3py -0.033133 -0.046001 0.096415 -0.084074 0.078490 -0.056093 34O 1dz2 0.001130 -0.001186 0.000070 0.000057 -0.000612 0.000321 34O 1dxz -0.003819 -0.001229 0.002691 0.001264 0.001005 -0.000639 34O 1dyz 0.000578 -0.000295 -0.000216 -0.001611 -0.000577 -0.000159 34O 1dx2y2 -0.002991 -0.000057 -0.000710 -0.001015 -0.000806 -0.000351 34O 1dxy 0.000100 -0.001953 -0.001226 -0.000275 0.000252 0.001355 34O 2dz2 0.014626 -0.008332 -0.011146 0.007254 0.005118 0.007560 34O 2dxz 0.006212 0.001075 -0.002123 -0.000289 0.003445 0.008478 34O 2dyz -0.002194 -0.009086 0.003588 0.009101 0.003345 -0.000210 34O 2dx2y2 -0.008764 0.023105 0.026078 -0.007743 -0.002912 -0.001653 34O 2dxy -0.006323 -0.008394 -0.006787 -0.007484 -0.003792 0.005230 34O 1f0 -0.000825 -0.000830 0.000224 -0.000183 -0.000513 -0.000433 34O 1f+1 0.000387 -0.000391 -0.001261 -0.000089 -0.000186 0.000102 34O 1f-1 0.000535 0.000303 0.000095 0.000193 0.000611 0.000263 34O 1f+2 0.002161 -0.000093 -0.000822 0.000220 0.000757 0.000795 34O 1f-2 -0.000152 -0.001300 -0.000044 0.000299 -0.000130 0.000056 34O 1f+3 -0.000489 -0.000617 -0.001358 0.000334 0.000295 0.000085 34O 1f-3 0.000789 -0.000436 0.000560 0.001166 0.000532 -0.000646 35O 1s 0.006183 0.000433 -0.002929 0.000856 -0.001324 -0.000539 35O 2s 0.013801 0.000539 -0.006727 0.001227 -0.002997 -0.001439 35O 3s -0.000357 0.009991 0.003092 0.013902 0.001391 0.005865 35O 4s -0.149554 -0.024195 0.092547 -0.101349 0.088924 0.001199 35O 5s 0.455025 -0.182923 -0.368484 0.197893 -0.850231 -0.214846 35O 1pz -0.028892 -0.025483 -0.060622 -0.015839 -0.042511 -0.004693 35O 1px -0.027065 0.022136 0.039849 -0.023302 0.094435 0.024060 35O 1py 0.018065 0.019134 0.046592 0.006035 0.022995 -0.016204 35O 2pz -0.033442 -0.020132 -0.069382 -0.005533 -0.063265 -0.034552 35O 2px -0.047298 0.000496 0.047509 -0.030661 0.077868 0.003064 35O 2py 0.046584 -0.006865 0.052781 -0.003441 0.006636 -0.024478 35O 3pz 0.055159 -0.070000 -0.032219 -0.168769 0.000307 0.123043 35O 3px 0.024803 -0.277521 -0.245801 -0.147713 -0.347746 -0.149025 35O 3py -0.157404 -0.054872 -0.157672 -0.133242 -0.141976 -0.032279 35O 1dz2 -0.002455 -0.002338 -0.000184 -0.001598 -0.001535 -0.000823 35O 1dxz 0.000937 -0.000587 -0.002060 -0.001436 -0.001772 -0.000357 35O 1dyz 0.002058 0.000804 0.000203 -0.001106 -0.000112 0.000163 35O 1dx2y2 0.001730 0.000778 -0.000380 0.000278 0.001621 0.001517 35O 1dxy 0.005560 0.005069 0.000947 0.001780 0.001438 0.000044 35O 2dz2 0.009410 0.015419 0.008201 0.002688 0.022733 0.002016 35O 2dxz 0.013726 0.003829 0.005323 -0.006134 0.004878 -0.002503 35O 2dyz 0.002279 -0.003305 0.005331 0.007225 -0.007633 0.001565 35O 2dx2y2 -0.003025 -0.015543 -0.009630 -0.002026 -0.031182 -0.012559 35O 2dxy -0.001283 -0.006578 -0.014292 -0.000647 -0.025509 -0.001052 35O 1f0 -0.001285 -0.000307 -0.000513 0.000635 -0.000874 0.000248 35O 1f+1 0.001432 0.001693 0.000665 0.000348 0.001543 0.000528 35O 1f-1 0.000911 0.000587 -0.000170 0.000067 -0.000237 -0.000073 35O 1f+2 0.000166 0.000582 0.000684 -0.000446 0.001216 -0.000086 35O 1f-2 0.000671 0.000069 0.000203 -0.000614 -0.000182 -0.000282 35O 1f+3 -0.000154 0.000198 0.000359 -0.000506 0.000925 0.000555 35O 1f-3 0.001293 0.001344 0.000806 0.000549 0.002016 0.000486 198 199 200 201 202 203 0.45795 0.46237 0.46607 0.48088 0.49563 0.50023 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s -0.001027 0.000767 -0.000530 -0.000925 0.002681 -0.000589 0Rh 2s 0.003015 -0.002474 0.001356 0.003134 -0.006962 0.002995 0Rh 3s -0.004114 0.002939 -0.002247 -0.003453 0.011315 -0.001579 0Rh 4s -0.013025 0.010826 -0.005755 -0.013827 0.029677 -0.013766 0Rh 5s 0.002884 -0.005013 -0.000844 0.008206 0.003062 0.018377 0Rh 6s 0.056224 -0.036133 0.032990 0.038538 -0.166616 -0.003359 0Rh 7s -0.168225 0.078923 -0.175474 -0.148516 1.182403 0.043517 0Rh 8s 0.087351 -0.043435 -0.057137 0.110576 0.028224 0.063099 0Rh 1pz -0.000469 -0.000687 -0.000842 0.001735 -0.001320 -0.005357 0Rh 1px -0.002381 0.002007 -0.000556 0.000606 -0.000041 -0.002326 0Rh 1py 0.009931 -0.008278 0.001639 0.000463 -0.007308 0.001236 0Rh 2pz 0.001462 0.002477 0.002628 -0.006113 0.004777 0.018895 0Rh 2px 0.008694 -0.007322 0.001935 -0.001831 -0.000556 0.008297 0Rh 2py -0.034404 0.028838 -0.005632 -0.001543 0.025619 -0.004353 0Rh 3pz 0.001628 -0.004425 0.002819 0.007933 -0.008711 -0.024740 0Rh 3px -0.017189 0.014298 -0.002151 -0.003299 0.014207 -0.012683 0Rh 3py 0.034061 -0.031612 0.004734 0.000385 -0.030862 0.005664 0Rh 4pz -0.013023 0.005800 -0.023307 -0.000902 0.011574 0.002006 0Rh 4px 0.024734 -0.020089 -0.000684 0.021441 -0.055616 0.008658 0Rh 4py 0.034790 -0.017131 0.008923 0.005929 -0.004867 -0.000821 0Rh 5pz 0.020116 -0.024871 0.045968 0.019694 -0.049459 -0.034442 0Rh 5px -0.079361 0.064434 -0.004685 -0.037125 0.149607 -0.037814 0Rh 5py 0.027730 -0.048562 -0.004471 -0.006797 -0.076007 0.013210 0Rh 6pz -0.038415 0.268238 -0.555406 -0.141323 0.874721 -0.271784 0Rh 6px 0.496160 -0.383744 0.084959 0.190037 -2.525418 0.280262 0Rh 6py -0.519262 0.600382 0.175452 0.058922 1.265838 -0.099298 0Rh 1dz2 0.001392 -0.009912 -0.006260 -0.016129 -0.002231 -0.005839 0Rh 1dxz 0.002834 -0.003740 -0.022495 -0.003595 0.002775 -0.016821 0Rh 1dyz 0.001756 0.000611 0.003398 -0.003809 -0.005723 0.009038 0Rh 1dx2y2 0.000475 -0.004189 -0.017471 -0.012768 -0.013350 -0.014598 0Rh 1dxy -0.004805 0.002573 0.001687 -0.003115 0.023761 -0.002496 0Rh 2dz2 -0.000112 0.000759 -0.000240 0.001565 0.000130 0.001144 0Rh 2dxz 0.000055 -0.000027 0.001389 -0.000083 -0.000654 0.000679 0Rh 2dyz -0.000217 0.000731 0.000106 0.000692 0.000425 -0.001157 0Rh 2dx2y2 -0.000832 0.000808 0.001020 0.000926 0.001621 0.001355 0Rh 2dxy 0.001370 -0.000699 -0.000225 0.000559 -0.002106 0.000226 0Rh 3dz2 -0.002189 0.015342 0.012714 0.023733 0.003699 0.006360 0Rh 3dxz -0.005536 0.007098 0.036478 0.007145 -0.002551 0.029099 0Rh 3dyz -0.002436 -0.004365 -0.006802 0.003867 0.009084 -0.012155 0Rh 3dx2y2 0.002504 0.004474 0.028482 0.020074 0.018502 0.021989 0Rh 3dxy 0.003283 -0.001988 -0.002242 0.003401 -0.036199 0.003835 0Rh 4dz2 -0.001782 0.022775 0.004913 0.042083 0.003823 0.021360 0Rh 4dxz -0.001914 0.004017 0.044163 0.003063 -0.011774 0.026474 0Rh 4dyz -0.003742 0.012534 -0.002841 0.021079 0.011361 -0.027959 0Rh 4dx2y2 -0.011785 0.017025 0.034189 0.028210 0.036323 0.033753 0Rh 4dxy 0.024138 -0.010707 -0.004825 0.013385 -0.053742 0.004879 0Rh 5dz2 -0.027916 -0.017682 0.032398 -0.071665 0.002085 -0.027811 0Rh 5dxz -0.035738 0.024423 0.032165 0.020840 0.017772 0.080473 0Rh 5dyz -0.022101 -0.120341 -0.023318 -0.173721 0.016269 0.067726 0Rh 5dx2y2 0.063809 -0.059559 0.022165 -0.011879 -0.008061 -0.005319 0Rh 5dxy -0.059984 -0.007179 0.003287 -0.068522 -0.012914 0.010834 0Rh 1f0 0.004887 -0.006644 0.002956 0.000888 -0.000459 0.010629 0Rh 1f+1 0.000811 0.000418 -0.000351 -0.002030 0.000609 0.007827 0Rh 1f-1 0.003338 -0.007610 -0.002464 0.000997 -0.001349 -0.008725 0Rh 1f+2 0.002904 -0.003681 0.002898 0.000185 -0.000612 0.006876 0Rh 1f-2 0.003800 -0.000362 0.002190 -0.000760 0.001171 0.000022 0Rh 1f+3 -0.001319 0.000765 -0.000420 -0.000323 -0.000723 -0.005013 0Rh 1f-3 -0.006264 0.002534 -0.000444 -0.002094 0.001509 0.001668 1Rh 1s -0.001092 0.000766 0.000431 -0.000949 -0.002741 -0.000231 1Rh 2s 0.003206 -0.002458 -0.001025 0.003225 0.007266 0.002176 1Rh 3s -0.004378 0.002940 0.001878 -0.003535 -0.011481 0.000000 1Rh 4s -0.013848 0.010747 0.004300 -0.014235 -0.031071 -0.010345 1Rh 5s 0.003068 -0.004851 0.001664 0.008551 -0.001242 0.020221 1Rh 6s 0.059694 -0.036389 -0.028744 0.039236 0.166440 -0.028680 1Rh 7s -0.186341 0.083098 0.160839 -0.143425 -1.173705 0.230004 1Rh 8s 0.073793 -0.039712 0.069819 0.110304 -0.023747 0.038626 1Rh 1pz 0.000547 0.000475 -0.000728 -0.001707 0.000020 0.005459 1Rh 1px 0.002364 -0.002091 -0.000410 -0.000583 0.000499 0.002366 1Rh 1py -0.009994 0.008455 0.000908 -0.000326 -0.007440 -0.000319 1Rh 2pz -0.001746 -0.001730 0.002243 0.006010 0.000101 -0.019277 1Rh 2px -0.008654 0.007618 0.001388 0.001755 -0.002446 -0.008338 1Rh 2py 0.034613 -0.029453 -0.003094 0.001064 0.026087 0.001132 1Rh 3pz -0.001102 0.003420 0.003021 -0.007699 -0.003480 0.025710 1Rh 3px 0.017497 -0.014743 -0.000854 0.003295 0.016427 0.010852 1Rh 3py -0.034131 0.032285 0.002120 0.000184 -0.031495 -0.001652 1Rh 4pz 0.012375 -0.005516 -0.022212 0.000479 0.014383 -0.004100 1Rh 4px -0.026174 0.020408 -0.003031 -0.021001 -0.054952 -0.000919 1Rh 4py -0.035506 0.017486 0.006705 -0.005821 -0.004729 0.000934 1Rh 5pz -0.017600 0.021881 0.044686 -0.018332 -0.045535 0.041556 1Rh 5px 0.082916 -0.066237 0.001533 0.035954 0.152696 0.017408 1Rh 5py -0.027046 0.049661 -0.006832 0.008258 -0.077048 -0.003110 1Rh 6pz -0.009921 -0.227065 -0.550145 0.127072 0.911474 0.166074 1Rh 6px -0.556139 0.411859 0.050039 -0.164117 -2.533778 0.074143 1Rh 6py 0.522256 -0.613198 0.204756 -0.084916 1.261805 -0.037598 1Rh 1dz2 0.000141 -0.009261 0.006598 -0.016306 0.000597 -0.006237 1Rh 1dxz 0.002912 -0.004181 0.022760 -0.003459 -0.004787 -0.016300 1Rh 1dyz 0.001960 0.000411 -0.003358 -0.003746 0.007040 0.008116 1Rh 1dx2y2 -0.000360 -0.004215 0.017495 -0.012853 0.010893 -0.016463 1Rh 1dxy -0.004199 0.002710 -0.001885 -0.002626 -0.023811 0.000606 1Rh 2dz2 -0.000077 0.000714 0.000227 0.001555 0.000183 0.001154 1Rh 2dxz 0.000032 0.000009 -0.001428 -0.000096 0.000630 0.000582 1Rh 2dyz -0.000190 0.000734 -0.000117 0.000683 -0.000589 -0.001076 1Rh 2dx2y2 -0.000788 0.000833 -0.001075 0.000980 -0.001433 0.001558 1Rh 2dxy 0.001311 -0.000711 0.000326 0.000507 0.002125 -0.000034 1Rh 3dz2 0.000003 0.014311 -0.013297 0.024112 -0.001906 0.007073 1Rh 3dxz -0.005584 0.007776 -0.036815 0.006944 0.006469 0.028512 1Rh 3dyz -0.002929 -0.004002 0.006777 0.003790 -0.010879 -0.010749 1Rh 3dx2y2 0.003880 0.004420 -0.028305 0.020009 -0.014639 0.024668 1Rh 3dxy 0.002393 -0.002193 0.002192 0.002695 0.036216 -0.000959 1Rh 4dz2 0.000156 0.021425 -0.005433 0.042112 0.002219 0.021887 1Rh 4dxz -0.002278 0.004959 -0.044967 0.002705 0.013473 0.024586 1Rh 4dyz -0.003643 0.012813 0.002622 0.020837 -0.015225 -0.025868 1Rh 4dx2y2 -0.010139 0.017372 -0.034976 0.029028 -0.031178 0.038640 1Rh 4dxy 0.022647 -0.011008 0.006415 0.012172 0.054007 -0.001925 1Rh 5dz2 -0.023403 -0.018611 -0.034356 -0.069631 -0.013511 -0.026132 1Rh 5dxz -0.035451 0.025367 -0.031784 0.021120 -0.000810 0.083491 1Rh 5dyz -0.024555 -0.119641 0.023548 -0.172558 -0.010760 0.068120 1Rh 5dx2y2 0.063579 -0.060487 -0.017913 -0.014312 0.010537 -0.007764 1Rh 5dxy -0.059171 -0.007538 -0.008584 -0.068265 0.011925 0.007738 1Rh 1f0 -0.005077 0.006826 0.002427 -0.000791 -0.002017 -0.010498 1Rh 1f+1 -0.000808 -0.000394 -0.000498 0.001995 -0.000690 -0.007794 1Rh 1f-1 -0.003498 0.007633 -0.002739 -0.000932 -0.000035 0.008874 1Rh 1f+2 -0.002883 0.003768 0.002638 -0.000180 -0.001586 -0.006966 1Rh 1f-2 -0.003825 0.000358 0.001929 0.000614 0.001099 0.000142 1Rh 1f+3 0.001195 -0.000789 -0.000316 0.000317 -0.000037 0.004960 1Rh 1f-3 0.006253 -0.002517 0.000011 0.002076 0.001390 -0.002057 2C 1s 0.012272 0.016995 0.001724 -0.012930 0.004520 0.004312 2C 2s 0.026648 0.035731 0.003804 -0.026438 0.010410 0.008940 2C 3s -0.008200 0.047247 0.012818 -0.031310 -0.019645 0.017545 2C 4s -0.392064 -0.958559 -0.153265 0.875816 -0.012358 -0.355358 2C 5s 2.708126 1.919293 -0.538559 -9.876061 1.602164 3.698102 2C 1pz 0.094633 0.037176 0.049026 0.021691 0.050338 0.043866 2C 1px 0.037447 0.024546 0.034985 0.005849 0.013448 -0.072078 2C 1py -0.114569 0.008330 -0.118619 -0.016461 -0.029068 -0.038934 2C 2pz 0.454917 0.132093 0.165079 -0.030665 0.277975 0.183222 2C 2px 0.163858 0.110777 0.140918 0.016435 0.085936 -0.229470 2C 2py -0.384441 0.024678 -0.471856 -0.170639 -0.054953 -0.127939 2C 3pz 0.130152 -0.069624 -0.761701 -1.925396 0.046917 0.206472 2C 3px -0.169164 -0.351653 -0.237787 -0.971590 -0.075537 0.853083 2C 3py 1.334638 0.016359 0.830182 -1.070966 0.513344 0.677559 2C 1dz2 0.002825 -0.002185 0.003169 -0.002132 0.001181 0.002408 2C 1dxz 0.005071 0.000569 0.002619 -0.001783 -0.002559 -0.001356 2C 1dyz -0.001958 -0.003205 -0.002233 -0.002264 0.002397 0.000901 2C 1dx2y2 0.003767 0.000557 0.001777 0.002818 0.000869 0.000301 2C 1dxy -0.003803 -0.000714 -0.003225 0.000087 -0.001797 -0.000735 2C 2dz2 0.010225 0.002058 0.000792 -0.060809 -0.006588 -0.063204 2C 2dxz -0.006128 0.014744 -0.012932 0.008930 0.034503 0.077775 2C 2dyz 0.048192 0.027297 0.005851 -0.058213 0.041832 0.041312 2C 2dx2y2 -0.034846 0.002836 0.006975 -0.005624 -0.019898 0.034379 2C 2dxy 0.033172 0.025451 -0.018586 -0.020485 0.006542 0.029985 2C 1f0 -0.010571 -0.003732 -0.005945 -0.000320 -0.003146 -0.007599 2C 1f+1 0.006278 0.001238 0.005304 0.000751 0.004340 0.003058 2C 1f-1 0.002746 -0.002846 -0.000267 0.000282 0.001161 0.000792 2C 1f+2 0.000036 0.006698 -0.000048 -0.001722 0.001570 0.007203 2C 1f-2 -0.008518 -0.008673 -0.006284 0.002638 -0.001676 0.001565 2C 1f+3 -0.002543 0.008305 -0.004852 -0.006069 0.000758 0.001054 2C 1f-3 0.005095 0.002767 0.003493 -0.001427 0.000894 -0.004439 3C 1s -0.012774 -0.020139 -0.002093 0.012485 0.000398 0.000110 3C 2s -0.026396 -0.043423 -0.004577 0.025666 0.001464 0.000735 3C 3s -0.036738 -0.022958 0.003830 0.012690 0.017200 -0.013877 3C 4s 0.776183 0.891906 0.053001 -0.712759 -0.129015 0.083537 3C 5s -3.319395 -2.358385 -0.671378 10.880810 -3.417981 -0.978022 3C 1pz -0.049022 0.094611 0.102595 0.014414 -0.028350 0.042132 3C 1px 0.030642 -0.001191 0.022450 -0.023025 -0.023932 -0.078489 3C 1py 0.009229 0.108944 0.078502 0.008414 -0.004539 -0.009761 3C 2pz -0.219799 0.356578 0.402284 0.187732 -0.182774 0.176983 3C 2px 0.116872 -0.035713 0.065298 -0.022860 -0.099349 -0.280684 3C 2py 0.052722 0.469280 0.314947 -0.119374 0.052383 -0.028076 3C 3pz 0.078172 -1.111478 -0.987200 0.897545 -0.594068 -0.353838 3C 3px -0.367623 0.054119 -0.389500 1.372072 -0.180154 0.201404 3C 3py 0.395005 -0.360628 -0.415835 -2.475540 1.040027 0.160520 3C 1dz2 -0.000928 0.000168 0.000654 -0.000477 0.002405 0.000625 3C 1dxz 0.000451 0.003654 0.001751 0.001841 -0.002125 -0.003457 3C 1dyz -0.000315 -0.005701 -0.002514 -0.002382 0.001122 -0.000576 3C 1dx2y2 -0.001759 0.003041 0.004295 -0.004028 -0.000183 0.000786 3C 1dxy -0.000645 0.000489 0.000070 -0.002703 0.002292 -0.000881 3C 2dz2 0.030985 0.016633 -0.015091 -0.038230 0.011951 -0.063172 3C 2dxz -0.014167 -0.031760 0.009614 0.017703 -0.008181 0.044503 3C 2dyz 0.007827 0.042096 0.026994 -0.066016 0.009568 0.046798 3C 2dx2y2 0.013548 -0.015438 -0.007448 -0.038167 0.054683 0.069663 3C 2dxy 0.019988 0.045207 0.002719 -0.040053 -0.008311 -0.084373 3C 1f0 0.005651 -0.003330 -0.007934 -0.004139 0.001920 -0.002516 3C 1f+1 0.004284 -0.000681 -0.002120 -0.001603 -0.001405 -0.005773 3C 1f-1 0.002295 0.012208 0.006162 -0.001888 -0.001699 0.000311 3C 1f+2 -0.005704 -0.012303 -0.000285 0.001308 0.004487 0.000380 3C 1f-2 -0.005966 -0.005720 0.000100 0.000703 0.003260 -0.000183 3C 1f+3 0.000245 -0.007456 -0.006349 0.001506 0.000899 0.004218 3C 1f-3 -0.002152 0.001951 0.002134 0.000395 0.001002 0.010779 4C 1s -0.009459 -0.015099 -0.000351 0.013491 0.005376 -0.001646 4C 2s -0.020515 -0.033237 -0.000540 0.029868 0.011758 -0.003536 4C 3s 0.054178 0.043423 -0.047876 0.008544 0.016134 -0.030548 4C 4s 0.069160 0.368443 0.403246 -1.082964 -0.391442 0.371958 4C 5s -2.497942 -1.239177 0.645371 5.168559 0.084577 -1.628172 4C 1pz -0.026708 0.032607 -0.036432 0.058228 -0.043158 -0.027878 4C 1px 0.007656 0.032382 -0.033118 0.028684 0.002749 0.072961 4C 1py 0.021897 0.029081 0.018149 0.015658 0.029251 -0.019117 4C 2pz -0.033671 0.038181 0.004397 -0.035515 -0.229567 -0.101217 4C 2px -0.135946 0.095043 0.068477 0.016262 0.422048 0.444680 4C 2py -0.051535 0.064021 0.103772 -0.033484 0.058976 0.071980 4C 3pz 1.015340 -0.726471 -0.358057 -4.645067 1.303144 1.540956 4C 3px 0.069463 0.027903 -0.010540 -0.620920 0.257934 0.137181 4C 3py 0.570779 -0.361684 -0.394139 -2.797569 0.777959 1.271053 4C 1dz2 0.001449 0.002469 -0.011337 -0.000474 0.000092 -0.003520 4C 1dxz -0.004564 -0.000396 -0.004556 0.001789 0.009144 -0.000827 4C 1dyz 0.006111 0.002954 0.001106 -0.004519 0.002274 0.002081 4C 1dx2y2 -0.007113 -0.002192 0.003757 -0.007404 -0.008980 0.001996 4C 1dxy 0.001723 -0.002080 0.004595 -0.005022 0.001025 0.001423 4C 2dz2 -0.054268 -0.020653 -0.008038 0.019445 -0.088687 -0.041931 4C 2dxz -0.062289 0.032478 0.001493 0.050640 0.095619 0.083099 4C 2dyz -0.065381 -0.015825 0.036617 -0.037262 -0.098825 0.016529 4C 2dx2y2 -0.033920 -0.010118 -0.012826 -0.068053 0.085686 0.035938 4C 2dxy -0.092173 -0.037926 0.074390 -0.052071 0.074927 0.145989 4C 1f0 0.003329 -0.000541 0.000027 0.003350 0.003202 0.004022 4C 1f+1 0.003108 0.002739 -0.007785 0.005534 0.001979 -0.006495 4C 1f-1 0.003547 -0.001362 -0.004027 -0.005120 -0.000619 -0.003616 4C 1f+2 -0.000129 -0.000113 0.001891 -0.001929 -0.008938 -0.003557 4C 1f-2 -0.001097 -0.000333 0.002944 -0.002398 0.007070 0.004391 4C 1f+3 0.002110 -0.001043 0.000720 -0.000789 -0.006491 -0.002473 4C 1f-3 0.005503 -0.000165 -0.006263 0.005113 -0.005464 -0.009209 5C 1s 0.014661 0.011207 -0.000150 -0.012961 -0.001778 -0.001474 5C 2s 0.032405 0.024413 -0.000647 -0.028281 -0.004386 -0.003538 5C 3s -0.025311 -0.074273 -0.031765 -0.006460 0.005242 0.054723 5C 4s -0.559768 0.066516 0.245210 1.017628 -0.002053 -0.419857 5C 5s 2.002296 1.916971 0.481027 -6.501250 1.808803 -0.127144 5C 1pz -0.020729 -0.019081 -0.023366 -0.023931 0.021119 -0.006412 5C 1px -0.031804 -0.017367 0.000862 -0.011086 0.025337 0.117626 5C 1py 0.015190 0.002516 -0.016357 0.082691 -0.004655 0.012506 5C 2pz -0.141046 0.072574 0.078970 -0.018138 -0.088806 -0.131446 5C 2px 0.128964 -0.150014 -0.092869 0.014312 0.394041 0.351542 5C 2py 0.111772 -0.115032 -0.135696 0.023858 -0.009038 0.115419 5C 3pz -0.225617 0.199123 -0.147289 3.141240 -1.225636 -0.570352 5C 3px 0.064604 -0.260959 -0.075491 1.724009 -0.935465 -0.179635 5C 3py 0.540324 -0.182427 0.444292 -5.397863 2.409574 0.561975 5C 1dz2 0.000732 -0.003210 -0.005468 -0.006192 -0.001955 0.001513 5C 1dxz 0.001314 -0.006418 -0.005943 -0.001976 -0.002677 0.002601 5C 1dyz 0.002734 0.005262 0.001868 -0.008019 0.003812 0.001566 5C 1dx2y2 0.003841 0.000802 -0.001074 0.001589 0.012795 -0.006315 5C 1dxy -0.000762 0.000613 0.004611 -0.001952 0.002424 0.003580 5C 2dz2 -0.029739 -0.079724 -0.005617 -0.034079 -0.049152 0.067419 5C 2dxz 0.057939 -0.058558 -0.073363 -0.050736 0.060117 0.006620 5C 2dyz 0.029353 -0.111309 -0.059839 -0.021080 -0.004853 0.049101 5C 2dx2y2 0.031743 -0.040387 -0.014967 0.083321 -0.065318 -0.003882 5C 2dxy -0.055233 0.038823 -0.000477 0.041279 -0.162167 -0.126936 5C 1f0 0.002888 -0.004431 -0.001576 -0.005833 0.006961 0.008834 5C 1f+1 -0.001673 -0.001230 -0.003401 -0.002792 -0.004114 0.000271 5C 1f-1 0.003858 -0.002604 -0.003640 -0.000755 0.003545 -0.002412 5C 1f+2 -0.000312 0.000471 0.002069 -0.004387 -0.001571 -0.004064 5C 1f-2 -0.006443 0.007356 0.008305 0.000686 -0.004539 -0.004769 5C 1f+3 -0.001225 -0.002862 -0.000108 -0.001129 -0.004206 0.004180 5C 1f-3 0.000543 0.005491 0.005242 0.004204 0.002230 -0.005809 6C 1s 0.013633 0.010939 0.000657 -0.013068 0.001413 -0.001536 6C 2s 0.030205 0.023837 0.001788 -0.028537 0.003538 -0.003750 6C 3s -0.024232 -0.073699 0.032341 -0.005047 0.004731 0.054594 6C 4s -0.514562 0.071474 -0.281482 1.013705 -0.059737 -0.428196 6C 5s 1.754766 1.924681 -0.451682 -6.514416 -1.901889 0.188580 6C 1pz 0.020046 0.019177 -0.023369 0.022911 0.019989 0.004791 6C 1px 0.030484 0.017799 0.001956 0.012222 0.013346 -0.125478 6C 1py -0.018049 -0.001151 -0.017080 -0.082715 -0.007104 -0.011734 6C 2pz 0.139821 -0.072649 0.088848 0.018157 -0.065393 0.147647 6C 2px -0.127091 0.150120 -0.109918 -0.014334 0.329424 -0.428974 6C 2py -0.114034 0.116492 -0.146430 -0.025979 -0.032766 -0.114817 6C 3pz 0.154101 -0.155524 -0.130239 -3.125612 -1.163058 0.742220 6C 3px -0.119358 0.291882 -0.096429 -1.717985 -0.930945 0.317607 6C 3py -0.418917 0.107998 0.424482 5.378958 2.381099 -0.886362 6C 1dz2 0.000733 -0.003262 0.005548 -0.006219 0.001947 0.001290 6C 1dxz 0.001499 -0.006620 0.006241 -0.002013 0.003154 0.002357 6C 1dyz 0.002147 0.005235 -0.001707 -0.007938 -0.003419 0.002161 6C 1dx2y2 0.003845 0.001131 0.001164 0.001776 -0.013419 -0.004880 6C 1dxy -0.000605 0.000689 -0.004756 -0.001939 -0.002388 0.003812 6C 2dz2 -0.026440 -0.077889 0.005300 -0.034021 0.056984 0.057502 6C 2dxz 0.050271 -0.053918 0.079089 -0.049173 -0.052017 0.015288 6C 2dyz 0.033709 -0.112376 0.065219 -0.021209 0.015910 0.051798 6C 2dx2y2 0.034137 -0.042789 0.018346 0.080512 0.068560 -0.004606 6C 2dxy -0.055072 0.037510 -0.007379 0.039216 0.135482 -0.152188 6C 1f0 -0.002922 0.004351 -0.001980 0.005723 0.005269 -0.009967 6C 1f+1 0.001837 0.001134 -0.003284 0.002709 -0.003880 0.000768 6C 1f-1 -0.003783 0.002523 -0.003864 0.000746 0.003742 0.001853 6C 1f+2 0.000474 -0.000567 0.002142 0.004367 -0.000801 0.004501 6C 1f-2 0.006175 -0.007312 0.009027 -0.000592 -0.002957 0.005680 6C 1f+3 0.001084 0.002909 -0.000076 0.001039 -0.004799 -0.003208 6C 1f-3 -0.000680 -0.005417 0.005439 -0.004115 0.003125 0.005395 7C 1s -0.009388 -0.015049 0.000057 0.013410 -0.005179 -0.001253 7C 2s -0.020340 -0.033133 -0.000080 0.029680 -0.011297 -0.002692 7C 3s 0.054390 0.042562 0.048916 0.010294 -0.022507 -0.026582 7C 4s 0.067594 0.369586 -0.394179 -1.091278 0.434704 0.321277 7C 5s -2.550139 -1.181589 -0.798222 5.121411 -0.158283 -1.713445 7C 1pz 0.025801 -0.033466 -0.034404 -0.057174 -0.040484 0.034164 7C 1px -0.007360 -0.033771 -0.032310 -0.030063 -0.001136 -0.074770 7C 1py -0.020247 -0.029018 0.018926 -0.016626 0.033437 0.013705 7C 2pz 0.030499 -0.041566 0.007182 0.041450 -0.212853 0.129381 7C 2px 0.143988 -0.103247 0.075352 -0.028018 0.351181 -0.488401 7C 2py 0.064554 -0.063652 0.107397 0.033293 0.045294 -0.079973 7C 3pz -1.074037 0.793213 -0.453931 4.600231 1.174001 -1.717948 7C 3px -0.079192 -0.009980 -0.019640 0.610757 0.233175 -0.178060 7C 3py -0.647453 0.389019 -0.451866 2.776916 0.658373 -1.367869 7C 1dz2 0.001304 0.002496 0.011428 -0.000363 -0.000877 -0.003283 7C 1dxz -0.004808 -0.000411 0.004519 0.002007 -0.008887 -0.000133 7C 1dyz 0.006561 0.002755 -0.000807 -0.004455 -0.001982 0.002301 7C 1dx2y2 -0.007895 -0.001893 -0.003793 -0.007609 0.009377 0.000862 7C 1dxy 0.001669 -0.002041 -0.004481 -0.005057 -0.000588 0.001195 7C 2dz2 -0.057767 -0.017003 0.007072 0.017675 0.076419 -0.048807 7C 2dxz -0.065829 0.035946 -0.005856 0.053706 -0.078642 0.093794 7C 2dyz -0.067267 -0.014977 -0.041838 -0.039731 0.096700 0.007097 7C 2dx2y2 -0.033371 -0.008433 0.011462 -0.067309 -0.078556 0.042023 7C 2dxy -0.094829 -0.036964 -0.074274 -0.050251 -0.047363 0.153085 7C 1f0 -0.003717 0.000538 -0.000091 -0.003509 0.002712 -0.004484 7C 1f+1 -0.003128 -0.002670 -0.007717 -0.005664 0.002940 0.006127 7C 1f-1 -0.003692 0.001489 -0.004130 0.005128 0.000250 0.003554 7C 1f+2 -0.000095 0.000019 0.001930 0.002219 -0.008260 0.004650 7C 1f-2 0.000908 0.000295 0.002889 0.002198 0.005974 -0.004952 7C 1f+3 -0.002272 0.001203 0.000537 0.001017 -0.005951 0.003033 7C 1f-3 -0.005778 0.000322 -0.006440 -0.005064 -0.003507 0.009423 8C 1s -0.011353 -0.019880 0.001931 0.012639 -0.000264 0.000148 8C 2s -0.023366 -0.042874 0.004295 0.025997 -0.001099 0.000949 8C 3s -0.035104 -0.021549 -0.005272 0.013368 -0.019388 -0.012836 8C 4s 0.710451 0.873195 -0.035542 -0.724456 0.135235 0.078163 8C 5s -2.940378 -2.419652 0.590046 10.886357 3.375724 -1.496257 8C 1pz 0.052004 -0.092900 0.105271 -0.014015 -0.033526 -0.041184 8C 1px -0.030157 0.001457 0.021720 0.023273 -0.016889 0.084079 8C 1py -0.005080 -0.107621 0.079764 -0.008282 -0.004754 0.010875 8C 2pz 0.228744 -0.347784 0.412259 -0.184825 -0.206535 -0.164741 8C 2px -0.117344 0.037589 0.061566 0.024684 -0.076550 0.299566 8C 2py -0.029332 -0.467422 0.320356 0.119180 0.051610 0.025546 8C 3pz -0.144536 1.108620 -1.005840 -0.896068 -0.557302 0.457088 8C 3px 0.350567 -0.054326 -0.372205 -1.383386 -0.199012 -0.188845 8C 3py -0.334496 0.324774 -0.435222 2.463006 1.048447 -0.316363 8C 1dz2 -0.000841 0.000168 -0.000691 -0.000431 -0.002281 0.000894 8C 1dxz 0.000294 0.003675 -0.001914 0.001854 0.001695 -0.003842 8C 1dyz -0.000100 -0.005491 0.002473 -0.002355 -0.001255 -0.000557 8C 1dx2y2 -0.001846 0.002965 -0.004390 -0.004012 0.000156 0.000858 8C 1dxy -0.000844 0.000591 -0.000084 -0.002678 -0.002325 -0.000511 8C 2dz2 0.029348 0.016610 0.015026 -0.038184 -0.021436 -0.063121 8C 2dxz -0.010600 -0.032816 -0.009187 0.017725 0.013259 0.044945 8C 2dyz 0.004151 0.041580 -0.025913 -0.066049 -0.004230 0.049111 8C 2dx2y2 0.012881 -0.014326 0.008792 -0.037854 -0.046932 0.077768 8C 2dxy 0.017759 0.045508 -0.004441 -0.039647 -0.002366 -0.088415 8C 1f0 -0.005701 0.003173 -0.008113 0.004176 0.002383 0.002561 8C 1f+1 -0.004089 0.000735 -0.002029 0.001542 -0.000749 0.006145 8C 1f-1 -0.001704 -0.011957 0.006240 0.001930 -0.001786 -0.000225 8C 1f+2 0.005008 0.011897 -0.000229 -0.001429 0.004305 -0.001095 8C 1f-2 0.005643 0.005824 0.000094 -0.000858 0.003495 -0.000193 8C 1f+3 -0.000605 0.007546 -0.006568 -0.001479 0.000503 -0.004386 8C 1f-3 0.002308 -0.001713 0.001934 -0.000408 -0.000284 -0.011264 9C 1s 0.012031 0.016732 -0.001030 -0.012892 -0.003938 0.004859 9C 2s 0.026109 0.035160 -0.002307 -0.026351 -0.009163 0.010189 9C 3s -0.009177 0.047607 -0.012840 -0.032015 0.021348 0.015218 9C 4s -0.375621 -0.949939 0.127050 0.879146 -0.024842 -0.363569 9C 5s 2.780580 1.804004 0.758352 -9.817354 -1.292113 3.978420 9C 1pz -0.103103 -0.034894 0.047587 -0.021815 0.045746 -0.050556 9C 1px -0.042825 -0.022806 0.035501 -0.005931 0.016556 0.074342 9C 1py 0.126880 -0.011499 -0.117157 0.016136 -0.023985 0.043827 9C 2pz -0.488808 -0.120436 0.154143 0.027563 0.257534 -0.218884 9C 2px -0.185397 -0.104176 0.141851 -0.017891 0.090792 0.234494 9C 2py 0.432161 -0.035052 -0.470386 0.167561 -0.037543 0.138845 9C 3pz -0.109860 0.071747 -0.799847 1.892251 0.049393 -0.212867 9C 3px 0.200026 0.340952 -0.260228 0.967578 -0.124859 -0.865604 9C 3py -1.442020 0.040677 0.779861 1.081723 0.436964 -0.767256 9C 1dz2 0.003189 -0.002348 -0.003058 -0.002083 -0.000847 0.002522 9C 1dxz 0.005566 0.000411 -0.002563 -0.001816 0.002280 -0.001592 9C 1dyz -0.001969 -0.003152 0.002126 -0.002203 -0.002363 0.001235 9C 1dx2y2 0.004243 0.000459 -0.001905 0.002853 -0.000927 0.000425 9C 1dxy -0.004056 -0.000635 0.003178 0.000089 0.001660 -0.000846 9C 2dz2 0.006112 -0.000187 0.001307 -0.060797 -0.000179 -0.065977 9C 2dxz -0.009365 0.014187 0.013295 0.009975 -0.025240 0.085321 9C 2dyz 0.050261 0.026751 -0.003136 -0.057311 -0.035611 0.045505 9C 2dx2y2 -0.039076 0.002254 -0.007910 -0.005122 0.023337 0.034018 9C 2dxy 0.033440 0.025826 0.018767 -0.020039 -0.005725 0.035521 9C 1f0 0.011658 0.003575 -0.005911 0.000346 -0.002473 0.008240 9C 1f+1 -0.006813 -0.001019 0.005135 -0.000804 0.003623 -0.003214 9C 1f-1 -0.003153 0.002765 -0.000210 -0.000331 0.001296 -0.001096 9C 1f+2 0.000116 -0.007077 0.000026 0.001824 0.000937 -0.007646 9C 1f-2 0.008773 0.008340 -0.005920 -0.002707 -0.001611 -0.001800 9C 1f+3 0.003836 -0.008197 -0.005158 0.005968 0.000525 -0.001275 9C 1f-3 -0.005415 -0.002954 0.003216 0.001723 0.001146 0.004700 10H 1s 0.013077 0.015056 -0.007460 -0.002077 0.018132 0.016193 10H 2s 0.121267 0.183378 -0.095153 0.083519 0.190506 0.284984 10H 3s 0.004779 -0.301773 0.053816 1.382814 -0.202595 -1.359184 10H 1pz 0.006361 0.006960 0.001170 -0.001907 0.000585 0.010518 10H 1px -0.001112 -0.007219 0.004742 0.005498 -0.007660 -0.014347 10H 1py -0.008324 0.001242 -0.005958 -0.003338 -0.004784 0.001157 11H 1s 0.065644 0.027053 0.037854 -0.003726 0.015079 0.001419 11H 2s 0.811798 0.332368 0.537577 0.089982 0.262890 0.002739 11H 3s -1.614650 -0.901089 -1.306863 0.359979 -0.612754 -0.435531 11H 1pz 0.017058 0.012544 0.011867 0.008527 0.011720 0.006265 11H 1px 0.018256 0.011844 0.016322 -0.005118 0.002765 -0.000772 11H 1py -0.023513 -0.007570 -0.013655 0.009250 -0.003358 -0.001393 12H 1s -0.019096 0.021268 -0.035765 -0.012413 -0.005520 -0.017681 12H 2s -0.369306 0.222500 -0.414206 -0.112060 -0.087895 -0.315963 12H 3s 0.890824 -0.659186 1.166483 1.064693 0.258451 0.479280 12H 1pz 0.008137 -0.001945 0.008390 0.005848 0.003095 -0.002246 12H 1px -0.004199 0.005125 -0.000293 -0.010361 -0.002449 -0.006522 12H 1py -0.019066 0.010920 -0.012713 -0.011005 -0.003782 -0.006689 13H 1s -0.023851 -0.015040 0.002694 0.007940 0.000282 0.021537 13H 2s -0.341262 -0.161541 0.110910 0.020567 0.055689 0.434908 13H 3s 1.014372 -0.043765 -0.219169 -1.414552 -0.118933 -0.513325 13H 1pz -0.015396 0.001947 0.011060 0.006634 -0.001587 0.013230 13H 1px 0.013037 0.006520 -0.002640 -0.007337 -0.003236 -0.015242 13H 1py 0.007681 0.007997 -0.001884 -0.001707 -0.003815 -0.008985 14H 1s -0.013608 0.000803 0.023235 0.007425 -0.015264 -0.011894 14H 2s -0.099021 0.089375 0.343016 -0.026848 -0.122546 -0.224693 14H 3s 0.624436 -0.293714 -1.045065 -0.781664 0.357539 0.281695 14H 1pz -0.007014 0.004832 0.011823 0.000090 -0.002008 0.002023 14H 1px -0.004243 0.002442 0.009459 0.006302 -0.001126 -0.016136 14H 1py -0.001767 0.005617 0.006028 0.004137 -0.006353 -0.005232 15H 1s -0.002107 -0.070599 -0.041452 0.011031 0.001271 -0.006557 15H 2s 0.076085 -0.918209 -0.579852 -0.056229 0.173245 -0.145231 15H 3s 0.150319 2.009764 1.349217 -0.306706 -0.045331 0.490589 15H 1pz 0.001205 0.028827 0.018242 -0.011888 -0.001669 0.004436 15H 1px 0.003474 -0.003751 -0.004540 -0.003975 0.001711 -0.015275 15H 1py -0.001859 0.029879 0.017287 0.010395 -0.015996 0.005410 16H 1s 0.019052 -0.001233 0.012730 0.053194 -0.025068 -0.006633 16H 2s 0.254855 -0.176357 0.209822 0.391775 -0.307759 0.012524 16H 3s -0.165382 0.113143 -0.326832 -0.446420 0.592349 -0.331222 16H 1pz 0.007729 -0.012854 0.015299 0.005956 -0.006670 0.009780 16H 1px -0.005337 0.012613 -0.013393 0.009607 0.021485 -0.017702 16H 1py 0.008966 -0.006886 -0.001322 0.001864 -0.008970 -0.008638 17H 1s 0.021232 -0.019435 0.003788 -0.024110 -0.017902 0.004329 17H 2s 0.331185 -0.236138 -0.109432 -0.110118 -0.308824 -0.080577 17H 3s -0.259239 0.159045 0.160496 0.151323 0.606568 0.162489 17H 1pz -0.002670 0.001714 0.006494 0.008409 -0.011472 0.004049 17H 1px -0.016719 0.004666 0.020206 -0.011387 0.028828 0.018628 17H 1py 0.011716 -0.009398 -0.001558 0.000937 -0.010155 0.001892 18H 1s 0.023187 -0.020080 -0.002255 -0.022490 0.017517 -0.000257 18H 2s 0.353871 -0.248255 0.133560 -0.107608 0.282477 -0.125779 18H 3s -0.284110 0.172688 -0.174211 0.140730 -0.556924 0.267891 18H 1pz 0.003330 -0.002103 0.006934 -0.007963 -0.012013 -0.002489 18H 1px 0.017831 -0.005692 0.021350 0.010369 0.024987 -0.021257 18H 1py -0.011846 0.009707 -0.002331 -0.000242 -0.010336 -0.001115 19H 1s 0.019182 -0.000738 -0.010926 0.051992 0.024956 -0.009553 19H 2s 0.250290 -0.168006 -0.188420 0.380587 0.321887 -0.019076 19H 3s -0.158752 0.102012 0.304580 -0.428462 -0.649086 -0.246002 19H 1pz -0.006779 0.011884 0.014695 -0.006000 -0.008757 -0.009504 19H 1px 0.005092 -0.012425 -0.012907 -0.009707 0.024255 0.014515 19H 1py -0.008962 0.007069 -0.001402 -0.001700 -0.007525 0.009101 20H 1s 0.001462 -0.069646 0.042080 0.011123 -0.002028 -0.007084 20H 2s 0.116843 -0.903013 0.591500 -0.053195 -0.193110 -0.131656 20H 3s 0.063530 1.978229 -1.365260 -0.314225 0.114500 0.512378 20H 1pz 0.000303 -0.028363 0.018414 0.012010 -0.002050 -0.004619 20H 1px -0.003451 0.003759 -0.004636 0.003765 0.003708 0.015465 20H 1py 0.003151 -0.029180 0.017572 -0.010144 -0.017043 -0.003407 21H 1s -0.013022 0.000896 -0.024135 0.007546 0.014168 -0.013937 21H 2s -0.101604 0.091426 -0.352288 -0.025352 0.105526 -0.238395 21H 3s 0.599951 -0.285046 1.079603 -0.779664 -0.347948 0.335024 21H 1pz 0.007342 -0.004796 0.012067 -0.000044 -0.002526 -0.002064 21H 1px 0.004331 -0.002627 0.009793 -0.006434 0.000250 0.016340 21H 1py 0.001788 -0.005516 0.006255 -0.004207 -0.005424 0.006415 22H 1s -0.022500 -0.015279 -0.002761 0.007842 0.002154 0.022737 22H 2s -0.327093 -0.164913 -0.110464 0.020229 -0.009550 0.461741 22H 3s 0.989765 -0.037106 0.238786 -1.429105 0.059603 -0.553794 22H 1pz 0.015238 -0.001900 0.011184 -0.006669 -0.003190 -0.013486 22H 1px -0.012282 -0.006691 -0.002694 0.007339 -0.001584 0.016227 22H 1py -0.007141 -0.007957 -0.001859 0.001891 -0.002999 0.009605 23H 1s -0.022979 0.022058 0.036508 -0.012587 0.004067 -0.018810 23H 2s -0.433765 0.231014 0.420191 -0.114110 0.064664 -0.338131 23H 3s 1.031483 -0.686414 -1.173079 1.056395 -0.199459 0.521116 23H 1pz -0.008794 0.002297 0.008530 -0.006087 0.003498 0.002002 23H 1px 0.004701 -0.004988 -0.000359 0.010310 -0.002163 0.007372 23H 1py 0.022326 -0.011234 -0.012860 0.011117 -0.003382 0.007509 24H 1s 0.070000 0.025162 -0.036165 -0.003570 -0.014080 0.002582 24H 2s 0.874153 0.313267 -0.519996 0.089834 -0.244791 0.017742 24H 3s -1.747476 -0.843216 1.265997 0.369858 0.524607 -0.499110 24H 1pz -0.018641 -0.012433 0.011616 -0.008466 0.010391 -0.007064 24H 1px -0.020266 -0.011557 0.016019 0.005404 0.002277 0.001074 24H 1py 0.024860 0.006714 -0.012952 -0.009066 -0.003306 0.001880 25H 1s 0.012781 0.015047 0.007913 -0.001582 -0.016804 0.018407 25H 2s 0.112399 0.185395 0.098263 0.087554 -0.170701 0.319642 25H 3s 0.023859 -0.303281 -0.068303 1.382036 0.099140 -1.427213 25H 1pz -0.006467 -0.006957 0.001095 0.001980 0.000043 -0.011527 25H 1px 0.000253 0.007317 0.004923 -0.005319 -0.006590 0.015867 25H 1py 0.009392 -0.001236 -0.005895 0.003429 -0.004821 -0.000917 26O 1s 0.001509 -0.000460 -0.000851 -0.000252 -0.001202 0.004214 26O 2s 0.003641 -0.001266 -0.002123 -0.001547 -0.003357 0.010506 26O 3s -0.006578 0.007148 0.005562 0.018553 0.015561 -0.016483 26O 4s -0.040657 -0.042960 0.037397 -0.150055 -0.025482 0.012577 26O 5s 0.447763 0.440623 -0.427457 1.082519 -0.559967 -1.041804 26O 1pz -0.025532 0.009943 -0.004775 -0.044600 -0.012185 0.012456 26O 1px 0.041951 0.063506 -0.060955 0.029357 0.002214 -0.047750 26O 1py -0.001326 0.015679 0.032891 0.034380 -0.005299 0.091011 26O 2pz -0.048868 -0.007882 -0.025564 -0.132260 -0.006339 0.033713 26O 2px 0.022769 0.068427 -0.062506 0.008299 0.033757 -0.028533 26O 2py -0.025059 0.014441 0.092536 0.036662 0.034270 0.224662 26O 3pz 0.076112 0.235363 0.155188 0.750068 0.011646 -0.209420 26O 3px -0.301900 0.069020 0.362304 -0.503001 0.611252 0.770091 26O 3py -0.063363 0.144124 -0.165656 -0.002493 0.108444 -0.371844 26O 1dz2 0.000562 -0.001846 -0.001908 0.000312 -0.001485 -0.002916 26O 1dxz 0.002740 -0.000139 0.001376 0.002749 -0.001087 0.000129 26O 1dyz -0.000044 -0.000590 0.001010 -0.002141 0.000222 0.001105 26O 1dx2y2 -0.001052 0.000912 0.003731 -0.003338 0.000415 0.006546 26O 1dxy -0.000732 0.001987 0.000039 -0.002831 0.000969 0.001880 26O 2dz2 -0.005285 -0.001765 0.019942 -0.002423 0.020556 0.028190 26O 2dxz 0.007460 -0.001254 0.004880 -0.001792 -0.005449 -0.000267 26O 2dyz -0.003880 0.013392 -0.005227 -0.003347 -0.005485 0.005358 26O 2dx2y2 0.023416 0.008269 -0.011164 0.011446 -0.005797 -0.012797 26O 2dxy 0.008617 0.010261 -0.017883 0.004935 -0.011149 -0.012302 26O 1f0 0.000472 -0.000583 0.000557 -0.000260 -0.000319 -0.000203 26O 1f+1 0.001341 -0.000000 -0.000728 0.000525 -0.000674 -0.001508 26O 1f-1 -0.000200 0.000400 -0.000121 0.000769 -0.001192 -0.000400 26O 1f+2 0.000198 0.000129 -0.000183 -0.000395 0.000270 0.000722 26O 1f-2 -0.000246 0.000586 -0.000314 0.000842 0.001009 0.000048 26O 1f+3 0.001167 0.000690 -0.000493 0.000594 0.001142 -0.000769 26O 1f-3 0.001101 -0.000006 -0.001700 0.000192 -0.001767 -0.001985 27O 1s -0.006549 0.002278 -0.000562 0.001479 0.005142 0.004485 27O 2s -0.015580 0.005609 -0.000945 0.004531 0.012132 0.011063 27O 3s 0.019978 -0.011883 -0.004755 -0.023000 -0.012119 -0.017429 27O 4s 0.096661 0.022339 0.048024 0.130789 -0.041272 -0.062684 27O 5s -0.276167 -0.409277 -0.144290 -1.116007 -0.304798 0.110601 27O 1pz 0.030304 -0.012099 -0.016772 -0.011408 0.004663 -0.054654 27O 1px -0.030070 -0.051684 -0.016032 -0.027833 -0.038661 0.046330 27O 1py 0.000752 -0.000076 -0.045182 -0.031221 -0.023870 -0.093831 27O 2pz 0.048268 -0.018652 -0.046829 -0.009198 0.025823 -0.110595 27O 2px -0.006593 -0.058630 -0.016911 -0.013526 -0.018194 0.052991 27O 2py 0.004548 -0.028336 -0.095721 -0.115092 -0.036785 -0.168285 27O 3pz -0.057115 -0.069797 0.169967 -0.336356 -0.196701 0.340494 27O 3px 0.089888 0.018425 -0.010050 0.421387 0.335165 0.096340 27O 3py -0.126249 0.270908 0.266990 0.694108 0.066634 0.311720 27O 1dz2 0.000787 0.000469 -0.000705 -0.002442 -0.002365 -0.001814 27O 1dxz -0.001371 0.001304 0.001642 -0.001005 -0.000196 0.002573 27O 1dyz 0.001179 -0.002511 -0.000513 -0.002823 -0.002497 0.000329 27O 1dx2y2 -0.000236 -0.001238 0.000637 0.002047 0.004617 0.003202 27O 1dxy 0.000592 0.001359 0.001602 0.000237 -0.000229 0.001390 27O 2dz2 0.007671 0.010812 0.004128 0.006502 0.004168 -0.000799 27O 2dxz 0.000772 0.010872 0.006869 0.004598 0.008058 -0.003117 27O 2dyz -0.000140 0.008765 -0.002508 0.001656 0.000062 -0.018362 27O 2dx2y2 -0.018442 -0.000116 0.005176 -0.006343 -0.025464 0.008498 27O 2dxy 0.008356 0.005047 -0.003213 -0.001001 -0.002695 -0.012614 27O 1f0 0.000197 0.000757 0.000163 0.000920 -0.000336 -0.000761 27O 1f+1 -0.000804 0.000032 0.000346 -0.000219 -0.001170 -0.000134 27O 1f-1 0.000180 -0.000271 -0.000337 0.000005 0.000102 -0.000230 27O 1f+2 -0.000608 -0.000573 -0.000703 0.000772 -0.000049 0.000173 27O 1f-2 -0.000202 0.000180 0.000078 0.000929 0.000009 -0.000049 27O 1f+3 -0.000719 -0.000746 -0.000315 -0.000996 -0.002321 0.000021 27O 1f-3 0.000124 -0.000175 -0.000013 -0.000190 -0.000184 0.000299 28O 1s -0.003580 0.001800 -0.000265 -0.004485 -0.005407 -0.000869 28O 2s -0.008678 0.003851 -0.000001 -0.011952 -0.012429 -0.001949 28O 3s 0.014496 0.002685 -0.010566 0.036352 0.005004 -0.003724 28O 4s 0.023399 -0.079775 0.083882 -0.117193 0.077609 0.048487 28O 5s 0.061211 0.490954 -0.272505 1.357047 0.400592 -0.008629 28O 1pz 0.021638 -0.026340 0.033230 -0.015967 0.012606 -0.019738 28O 1px -0.010751 -0.051741 0.045333 -0.049222 -0.031018 0.018782 28O 1py -0.030703 0.016876 -0.025724 0.005299 -0.018370 -0.034582 28O 2pz 0.033579 -0.059872 0.058168 -0.084938 -0.032238 -0.033438 28O 2px -0.026963 -0.068098 0.064773 -0.078381 -0.016894 0.055829 28O 2py -0.044958 0.017406 -0.048702 -0.008814 -0.040271 -0.048353 28O 3pz 0.058587 0.111440 -0.057587 0.247006 -0.096092 -0.328936 28O 3px 0.035646 0.225721 -0.155950 0.817183 0.565944 0.072912 28O 3py 0.028694 -0.003102 0.090701 0.265468 0.107469 -0.058291 28O 1dz2 0.000196 0.001784 -0.000424 0.000793 -0.000644 -0.000697 28O 1dxz -0.001482 -0.001182 -0.001039 0.001887 0.004699 0.004395 28O 1dyz -0.001172 -0.000668 0.001453 -0.002708 -0.001048 0.001221 28O 1dx2y2 0.000161 -0.000185 0.000524 -0.003803 -0.005187 -0.001404 28O 1dxy -0.000371 0.000697 -0.000370 -0.001722 -0.001672 0.000276 28O 2dz2 -0.013394 0.002814 0.005501 -0.002146 -0.001193 0.002958 28O 2dxz -0.003730 -0.007467 0.002922 -0.007059 -0.020512 -0.010095 28O 2dyz 0.006581 -0.002793 0.001115 -0.004077 -0.006650 -0.013129 28O 2dx2y2 -0.001901 0.014818 -0.007579 0.015991 0.025975 0.001528 28O 2dxy 0.005319 0.001592 -0.001893 0.002564 -0.004583 -0.008822 28O 1f0 0.000627 0.000711 -0.000443 0.000440 0.000841 -0.000401 28O 1f+1 -0.000612 -0.000099 0.001083 -0.000197 0.001615 0.001031 28O 1f-1 -0.000101 0.000207 0.000347 0.001351 0.000527 -0.001031 28O 1f+2 -0.000192 -0.000648 0.000754 -0.000799 -0.002151 -0.000595 28O 1f-2 -0.000192 -0.000242 0.000126 0.000075 -0.000579 -0.000081 28O 1f+3 -0.000336 -0.000649 0.000314 -0.000326 -0.001501 -0.000439 28O 1f-3 -0.000097 -0.000298 -0.000353 0.000092 -0.000105 0.000870 29O 1s 0.010796 -0.007061 0.003656 0.006389 -0.021925 0.001368 29O 2s 0.024269 -0.015998 0.008307 0.014255 -0.049945 0.003147 29O 3s -0.003653 0.004342 -0.003839 -0.001000 0.022000 -0.002739 29O 4s -0.252093 0.149006 -0.086905 -0.166243 0.496838 -0.033570 29O 5s 0.009467 0.063062 0.068988 0.094014 -0.190383 0.065428 29O 1pz 0.004173 0.017387 0.019495 0.077672 -0.025675 0.015288 29O 1px -0.026680 0.022976 -0.003640 0.012548 0.072368 -0.006407 29O 1py -0.016903 0.020980 -0.000127 -0.010655 0.065352 -0.001279 29O 2pz 0.012971 0.021431 0.062851 0.155906 -0.075794 0.063560 29O 2px -0.078745 0.065734 -0.003182 0.018001 0.234501 -0.014520 29O 2py -0.040858 0.053085 -0.005060 -0.018889 0.168569 -0.012373 29O 3pz -0.030912 -0.044414 0.034049 -0.076871 0.234682 -0.171177 29O 3px 0.089200 -0.098335 0.085170 0.028552 -0.748946 0.116786 29O 3py 0.318710 -0.293837 0.012780 0.100340 -0.597253 -0.002555 29O 1dz2 0.001448 -0.000825 0.001394 0.003055 -0.000679 -0.000346 29O 1dxz 0.001446 -0.001136 -0.000402 -0.001290 -0.000623 -0.000127 29O 1dyz -0.000491 -0.000028 0.002091 0.002830 0.000462 -0.000133 29O 1dx2y2 -0.000259 0.000355 0.000194 -0.000421 0.000336 0.000314 29O 1dxy -0.001264 0.000668 0.000688 0.000570 -0.000870 0.000762 29O 2dz2 0.004211 0.003095 -0.013553 0.001554 -0.003850 -0.013043 29O 2dxz -0.001538 -0.006252 0.017748 -0.002213 -0.004274 0.014361 29O 2dyz -0.002211 0.006881 -0.006191 0.000271 0.008009 -0.001824 29O 2dx2y2 -0.003652 -0.001681 0.001946 -0.007898 0.011261 0.002470 29O 2dxy 0.013200 -0.010834 -0.005756 0.001116 -0.028190 -0.000915 29O 1f0 0.001444 -0.001253 0.000292 0.000574 -0.001598 -0.000099 29O 1f+1 -0.000855 0.000336 0.001115 0.000025 0.000720 0.001065 29O 1f-1 0.001539 -0.001670 0.000912 0.000354 -0.002119 0.000658 29O 1f+2 -0.000553 0.000937 -0.000849 0.000319 0.000714 -0.000784 29O 1f-2 0.001463 -0.000712 -0.001476 0.000271 -0.001773 -0.001126 29O 1f+3 -0.000882 0.000352 0.000547 -0.000540 0.001367 0.000496 29O 1f-3 -0.000533 0.000187 0.000574 -0.000221 0.000273 0.000556 30O 1s 0.002798 -0.000398 0.000525 0.001224 0.002369 -0.003061 30O 2s 0.006953 -0.000665 0.000995 0.004121 0.006320 -0.008235 30O 3s -0.017131 -0.001166 0.005771 -0.025415 -0.022460 0.021091 30O 4s -0.007518 0.055669 -0.016311 0.145788 0.028481 -0.062802 30O 5s 0.105809 -0.860613 -0.352616 -1.264019 0.462129 1.043148 30O 1pz -0.037170 0.008011 0.041787 -0.042417 -0.000777 0.000717 30O 1px 0.005392 0.064122 0.045194 0.030805 0.028194 -0.025327 30O 1py 0.008255 -0.011930 0.033509 -0.024614 -0.005077 0.053066 30O 2pz -0.065804 0.040172 0.108953 -0.039540 -0.008930 -0.029910 30O 2px 0.021420 0.069649 0.044870 0.049190 0.055298 -0.007046 30O 2py 0.040941 -0.074006 0.018673 -0.111099 0.035645 0.104413 30O 3pz -0.124852 0.199193 -0.120305 0.043099 -0.386703 -0.341038 30O 3px 0.305347 -0.538080 -0.300915 -0.726503 0.494524 0.536394 30O 3py 0.141660 0.045511 -0.105795 0.500028 0.146589 0.133763 30O 1dz2 0.002206 -0.001092 -0.002254 -0.001429 0.001109 -0.000257 30O 1dxz 0.001923 -0.002022 -0.001310 -0.001959 0.001176 0.005591 30O 1dyz 0.000636 -0.000305 -0.000747 -0.002031 -0.000259 0.003330 30O 1dx2y2 -0.002832 0.003233 0.001209 0.002445 -0.000591 -0.001628 30O 1dxy -0.002263 -0.000588 0.002331 -0.000808 -0.000253 -0.002669 30O 2dz2 0.005645 -0.000053 0.006506 0.008509 -0.000642 0.006625 30O 2dxz -0.003780 0.018337 0.013002 0.011251 -0.018157 -0.018838 30O 2dyz 0.004036 0.009218 0.006647 0.003857 -0.002138 -0.001016 30O 2dx2y2 0.002994 -0.016046 -0.007679 -0.002425 -0.003950 0.011153 30O 2dxy 0.012089 -0.020828 -0.013050 -0.004708 0.014879 0.018476 30O 1f0 0.000611 -0.001141 -0.001189 0.000911 0.000745 0.000871 30O 1f+1 0.000527 -0.000399 0.000659 0.000118 -0.000182 0.000727 30O 1f-1 0.000151 -0.000219 -0.000023 0.000574 0.000290 0.000786 30O 1f+2 0.000136 0.000990 0.000496 0.001586 0.000429 -0.000189 30O 1f-2 -0.000896 0.001334 0.000563 0.000446 -0.001728 -0.001077 30O 1f+3 0.000649 0.000284 -0.000555 -0.000280 0.001706 -0.000083 30O 1f-3 -0.000438 0.001632 0.001237 0.000500 -0.000428 -0.001423 31O 1s 0.002606 -0.000225 -0.000372 0.001394 -0.002470 -0.003018 31O 2s 0.006463 -0.000258 -0.000631 0.004545 -0.006633 -0.008056 31O 3s -0.015887 -0.001657 -0.006554 -0.026356 0.023100 0.019037 31O 4s -0.007849 0.053368 0.013331 0.145158 -0.037019 -0.057132 31O 5s 0.111292 -0.843692 0.400240 -1.254803 -0.288369 1.117320 31O 1pz 0.034442 -0.006960 0.043023 0.042185 -0.001345 -0.000313 31O 1px -0.004669 -0.063560 0.047596 -0.031057 0.033596 0.022565 31O 1py -0.010931 0.012659 0.032550 0.024678 -0.011092 -0.053795 31O 2pz 0.060181 -0.037364 0.113045 0.039162 -0.001548 0.032835 31O 2px -0.020322 -0.068820 0.045878 -0.050413 0.055432 0.000812 31O 2py -0.045171 0.074005 0.014300 0.110842 0.020159 -0.112476 31O 3pz 0.135617 -0.202632 -0.102079 -0.035560 -0.333048 0.392842 31O 3px -0.292368 0.527285 -0.338086 0.722930 0.401131 -0.625071 31O 3py -0.121304 -0.048637 -0.120983 -0.506179 0.115718 -0.153109 31O 1dz2 0.002080 -0.001102 0.002387 -0.001433 -0.001058 -0.000047 31O 1dxz 0.001983 -0.002096 0.001557 -0.001976 -0.000277 0.005921 31O 1dyz 0.000574 -0.000372 0.000828 -0.002071 0.000673 0.003498 31O 1dx2y2 -0.002856 0.003199 -0.001479 0.002455 0.000229 -0.001831 31O 1dxy -0.002055 -0.000562 -0.002514 -0.000790 -0.000219 -0.002857 31O 2dz2 0.005331 0.000079 -0.006171 0.008491 0.001169 0.006700 31O 2dxz -0.004082 0.018408 -0.014225 0.010884 0.013945 -0.021692 31O 2dyz 0.003958 0.009066 -0.006870 0.003627 0.000922 -0.001437 31O 2dx2y2 0.003093 -0.016028 0.008334 -0.002573 0.005596 0.011312 31O 2dxy 0.011725 -0.020494 0.014800 -0.004395 -0.010523 0.021067 31O 1f0 -0.000607 0.001134 -0.001281 -0.000939 0.000531 -0.000987 31O 1f+1 -0.000506 0.000384 0.000608 -0.000120 -0.000292 -0.000716 31O 1f-1 -0.000159 0.000196 -0.000042 -0.000580 0.000137 -0.000810 31O 1f+2 -0.000135 -0.001014 0.000503 -0.001604 0.000467 0.000184 31O 1f-2 0.000876 -0.001321 0.000670 -0.000407 -0.001453 0.001354 31O 1f+3 -0.000615 -0.000293 -0.000589 0.000239 0.001664 -0.000126 31O 1f-3 0.000468 -0.001647 0.001313 -0.000486 -0.000134 0.001524 32O 1s 0.011243 -0.007142 -0.002817 0.006230 0.021869 -0.001875 32O 2s 0.025292 -0.016190 -0.006432 0.013876 0.049835 -0.004233 32O 3s -0.004195 0.004595 0.003731 -0.000568 -0.022359 0.000389 32O 4s -0.261517 0.149702 0.066238 -0.165005 -0.494531 0.043824 32O 5s 0.010600 0.065907 -0.065511 0.102053 0.192803 0.013873 32O 1pz -0.003621 -0.017853 0.017896 -0.074122 -0.029858 -0.013859 32O 1px 0.028785 -0.023444 -0.002127 -0.011557 0.071439 -0.005381 32O 1py 0.017295 -0.022308 0.001050 0.005790 0.065114 -0.003719 32O 2pz -0.011258 -0.023081 0.059481 -0.148597 -0.090097 -0.057249 32O 2px 0.083992 -0.067484 0.001325 -0.017884 0.231011 -0.020942 32O 2py 0.041828 -0.055694 -0.001443 0.008701 0.169128 -0.003697 32O 3pz 0.048547 0.031850 0.041976 0.066513 0.257777 0.136923 32O 3px -0.093136 0.097251 0.081355 -0.022695 -0.752733 -0.004197 32O 3py -0.327199 0.301324 -0.008616 -0.081221 -0.593022 0.063363 32O 1dz2 0.001468 -0.000782 -0.001183 0.002903 0.000773 -0.000367 32O 1dxz 0.001582 -0.001214 0.000571 -0.001330 0.000496 -0.000206 32O 1dyz -0.000642 0.000086 -0.002178 0.002877 -0.000253 0.000015 32O 1dx2y2 -0.000217 0.000337 -0.000153 -0.000447 -0.000327 0.000250 32O 1dxy -0.001336 0.000709 -0.000765 0.000506 0.001038 0.000600 32O 2dz2 0.004794 0.002224 0.013382 0.001078 0.001618 -0.013442 32O 2dxz -0.002444 -0.005405 -0.017994 -0.002058 0.006437 0.013262 32O 2dyz -0.001551 0.006599 0.006563 0.000234 -0.008496 -0.001379 32O 2dx2y2 -0.004355 -0.001410 -0.002557 -0.008167 -0.010812 0.004324 32O 2dxy 0.013259 -0.011383 0.006342 0.000004 0.027444 -0.003591 32O 1f0 -0.001336 0.001148 0.000163 -0.000488 -0.001455 0.000253 32O 1f+1 0.000987 -0.000447 0.001203 -0.000050 0.000609 -0.001160 32O 1f-1 -0.001576 0.001668 0.000767 -0.000366 -0.002279 -0.000366 32O 1f+2 0.000616 -0.000983 -0.000806 -0.000300 0.000950 0.000677 32O 1f-2 -0.001509 0.000754 -0.001582 -0.000219 -0.001501 0.001289 32O 1f+3 0.000874 -0.000361 0.000553 0.000517 0.001212 -0.000604 32O 1f-3 0.000572 -0.000186 0.000650 0.000239 0.000154 -0.000610 33O 1s -0.003584 0.001825 0.000045 -0.004596 0.005465 -0.001373 33O 2s -0.008717 0.003921 -0.000503 -0.012207 0.012583 -0.003146 33O 3s 0.015106 0.002430 0.010917 0.036415 -0.006094 -0.002633 33O 4s 0.020542 -0.079355 -0.079034 -0.116054 -0.074890 0.050786 33O 5s 0.054737 0.496376 0.257604 1.374757 -0.371355 0.057933 33O 1pz -0.023243 0.027020 0.030857 0.015670 0.014591 0.018907 33O 1px 0.010818 0.051171 0.044546 0.050415 -0.031820 -0.016190 33O 1py 0.035403 -0.017379 -0.023156 -0.004149 -0.013399 0.037344 33O 2pz -0.036753 0.061054 0.053947 0.085785 -0.024029 0.036465 33O 2px 0.026770 0.067521 0.064282 0.078632 -0.023174 -0.055887 33O 2py 0.052937 -0.018654 -0.044900 0.010778 -0.031881 0.053568 33O 3pz -0.064774 -0.108589 -0.053339 -0.240504 -0.069236 0.353243 33O 3px -0.021616 -0.233969 -0.148652 -0.831383 0.533165 -0.137441 33O 3py -0.040873 0.007606 0.083619 -0.267852 0.094208 0.049379 33O 1dz2 0.000231 0.001714 0.000359 0.000749 0.000726 -0.000881 33O 1dxz -0.001499 -0.001160 0.000998 0.002046 -0.004109 0.004921 33O 1dyz -0.001175 -0.000626 -0.001420 -0.002739 0.001269 0.001009 33O 1dx2y2 0.000194 -0.000187 -0.000478 -0.003931 0.004844 -0.001905 33O 1dxy -0.000411 0.000670 0.000236 -0.001745 0.001482 0.000133 33O 2dz2 -0.014081 0.003153 -0.006038 -0.001949 0.001684 0.002828 33O 2dxz -0.003519 -0.007281 -0.002918 -0.007685 0.018053 -0.012389 33O 2dyz 0.006639 -0.002931 -0.000875 -0.004008 0.004865 -0.013778 33O 2dx2y2 -0.002174 0.015130 0.007191 0.016679 -0.025277 0.004379 33O 2dxy 0.005542 0.001252 0.002279 0.002524 0.003356 -0.009310 33O 1f0 -0.000672 -0.000671 -0.000435 -0.000467 0.000889 0.000316 33O 1f+1 0.000666 0.000071 0.001101 0.000161 0.001433 -0.001244 33O 1f-1 0.000094 -0.000211 0.000354 -0.001366 0.000603 0.000973 33O 1f+2 0.000162 0.000656 0.000758 0.000866 -0.001977 0.000819 33O 1f-2 0.000226 0.000235 0.000146 -0.000064 -0.000560 0.000148 33O 1f+3 0.000364 0.000644 0.000323 0.000364 -0.001409 0.000600 33O 1f-3 0.000104 0.000295 -0.000353 -0.000092 -0.000233 -0.000872 34O 1s -0.006612 0.002365 0.000303 0.001464 -0.004679 0.005362 34O 2s -0.015748 0.005816 0.000314 0.004503 -0.010997 0.013105 34O 3s 0.020553 -0.012183 0.005877 -0.023194 0.010543 -0.018626 34O 4s 0.095391 0.021522 -0.046021 0.132617 0.035206 -0.075440 34O 5s -0.268346 -0.393756 0.130271 -1.114002 0.289564 0.046161 34O 1pz -0.026834 0.011440 -0.019013 0.011191 0.012712 0.053883 34O 1px 0.028269 0.051750 -0.015574 0.028385 -0.041857 -0.041831 34O 1py 0.001777 -0.000619 -0.044351 0.031575 -0.010076 0.098068 34O 2pz -0.042701 0.017865 -0.050856 0.008773 0.041555 0.107429 34O 2px 0.004836 0.059102 -0.018809 0.014742 -0.024131 -0.055317 34O 2py -0.001061 0.026295 -0.094147 0.115282 -0.009894 0.177192 34O 3pz 0.045281 0.070972 0.176952 0.339066 -0.233730 -0.315295 34O 3px -0.097940 -0.010124 -0.017038 -0.418045 0.303944 -0.166591 34O 3py 0.123338 -0.266956 0.269059 -0.696680 0.004250 -0.324657 34O 1dz2 0.000731 0.000414 0.000732 -0.002424 0.002034 -0.002288 34O 1dxz -0.001156 0.001230 -0.001769 -0.001011 0.000407 0.002523 34O 1dyz 0.001168 -0.002519 0.000609 -0.002854 0.002503 0.000007 34O 1dx2y2 -0.000091 -0.001241 -0.000583 0.002057 -0.004042 0.003992 34O 1dxy 0.000562 0.001277 -0.001530 0.000261 0.000540 0.001268 34O 2dz2 0.006924 0.011006 -0.003846 0.006360 -0.002942 0.000426 34O 2dxz 0.000193 0.010999 -0.007072 0.004701 -0.008148 -0.001929 34O 2dyz -0.000125 0.008656 0.002209 0.001685 -0.002927 -0.018569 34O 2dx2y2 -0.018306 0.000125 -0.006376 -0.006426 0.025879 0.004336 34O 2dxy 0.008145 0.004900 0.003661 -0.001112 0.001563 -0.012484 34O 1f0 -0.000140 -0.000793 0.000171 -0.000904 -0.000268 0.000783 34O 1f+1 0.000784 -0.000029 0.000408 0.000211 -0.001112 0.000349 34O 1f-1 -0.000210 0.000282 -0.000353 -0.000003 0.000141 0.000191 34O 1f+2 0.000515 0.000602 -0.000692 -0.000767 -0.000077 -0.000180 34O 1f-2 0.000209 -0.000215 0.000079 -0.000929 -0.000013 0.000027 34O 1f+3 0.000748 0.000741 -0.000258 0.001006 -0.002253 0.000346 34O 1f-3 -0.000091 0.000183 -0.000045 0.000210 -0.000274 -0.000374 35O 1s 0.001364 -0.000346 0.000871 -0.000201 0.001210 0.004243 35O 2s 0.003303 -0.001005 0.002176 -0.001445 0.003391 0.010565 35O 3s -0.006345 0.007072 -0.005765 0.018862 -0.015026 -0.016143 35O 4s -0.039251 -0.044978 -0.037269 -0.153149 0.031218 0.010693 35O 5s 0.455834 0.436877 0.430695 1.079732 0.390735 -1.093331 35O 1pz 0.027185 -0.011027 -0.002613 0.044324 -0.012079 -0.012657 35O 1px -0.043111 -0.063320 -0.060668 -0.030302 0.012848 0.045027 35O 1py 0.000839 -0.015180 0.031611 -0.034386 -0.018339 -0.092460 35O 2pz 0.053354 0.006203 -0.022383 0.131372 -0.007632 -0.036523 35O 2px -0.022096 -0.069086 -0.061296 -0.010117 0.039165 0.023448 35O 2py 0.022415 -0.013914 0.091510 -0.037353 0.000378 -0.230824 35O 3pz -0.089601 -0.232257 0.153417 -0.746264 0.020994 0.224540 35O 3px 0.305251 -0.071796 0.368649 0.493509 0.485303 -0.830179 35O 3py 0.076319 -0.146845 -0.156625 0.001479 0.154850 0.370753 35O 1dz2 0.000650 -0.001914 0.001940 0.000268 0.000978 -0.002976 35O 1dxz 0.002818 -0.000216 -0.001210 0.002721 0.001102 -0.000084 35O 1dyz -0.000081 -0.000576 -0.000983 -0.002151 -0.000154 0.001162 35O 1dx2y2 -0.001130 0.000901 -0.003717 -0.003302 0.000585 0.006542 35O 1dxy -0.000878 0.002134 -0.000147 -0.002779 -0.000793 0.001867 35O 2dz2 -0.005244 -0.001397 -0.019954 -0.002196 -0.015045 0.030253 35O 2dxz 0.007606 -0.001180 -0.004818 -0.001876 0.004712 -0.000293 35O 2dyz -0.004085 0.013220 0.004727 -0.003420 0.005474 0.005757 35O 2dx2y2 0.024788 0.007788 0.011535 0.011611 0.002695 -0.012915 35O 2dxy 0.008495 0.010272 0.018056 0.004982 0.007941 -0.012306 35O 1f0 -0.000465 0.000573 0.000540 0.000273 -0.000272 0.000223 35O 1f+1 -0.001413 0.000059 -0.000783 -0.000520 -0.000410 0.001571 35O 1f-1 0.000194 -0.000376 -0.000107 -0.000733 -0.001119 0.000516 35O 1f+2 -0.000211 -0.000113 -0.000211 0.000382 0.000155 -0.000748 35O 1f-2 0.000255 -0.000582 -0.000303 -0.000848 0.000948 -0.000141 35O 1f+3 -0.001221 -0.000693 -0.000492 -0.000616 0.001287 0.000599 35O 1f-3 -0.001131 0.000034 -0.001736 -0.000172 -0.001377 0.002153 204 205 206 207 208 209 0.50533 0.50541 0.50825 0.51135 0.51172 0.51807 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s 0.002864 -0.000624 0.000183 -0.004476 0.004144 0.002854 0Rh 2s -0.011268 0.001800 -0.001387 0.013700 -0.016614 -0.009472 0Rh 3s 0.009720 -0.002521 0.000206 -0.017613 0.013875 0.010776 0Rh 4s 0.050646 -0.007793 0.006548 -0.059816 0.074840 0.041827 0Rh 5s -0.046367 0.001511 -0.011845 0.021217 -0.071065 -0.023485 0Rh 6s -0.074611 0.034513 0.014656 0.225939 -0.100901 -0.122250 0Rh 7s -0.030823 -0.108284 -0.084975 -0.984970 0.006863 0.452672 0Rh 8s 0.773804 -0.223328 -0.115892 0.548247 1.030452 -0.282229 0Rh 1pz -0.001164 -0.002842 -0.005248 -0.005126 -0.000513 -0.012742 0Rh 1px 0.002412 -0.001311 -0.000822 -0.003921 0.004791 -0.002503 0Rh 1py 0.000164 -0.000610 -0.004015 -0.004203 -0.000728 0.005292 0Rh 2pz 0.003904 0.009618 0.018184 0.017606 0.001715 0.044091 0Rh 2px -0.008490 0.004445 0.002834 0.014048 -0.016857 0.008195 0Rh 2py -0.000892 0.001987 0.013536 0.014798 0.002692 -0.018245 0Rh 3pz -0.001191 -0.004887 -0.017702 -0.014082 -0.000423 -0.041591 0Rh 3px 0.010822 -0.002353 -0.002494 -0.022666 0.021281 0.001374 0Rh 3py 0.007042 0.000425 -0.005901 -0.018907 -0.005951 0.015921 0Rh 4pz -0.015320 -0.028958 -0.021072 -0.033004 -0.006893 -0.056601 0Rh 4px -0.000430 -0.013635 -0.004540 0.020172 0.000232 -0.047009 0Rh 4py -0.022645 -0.010645 -0.043867 0.000240 0.010141 0.028473 0Rh 5pz 0.022441 0.039197 0.001199 0.036492 0.006030 0.014902 0Rh 5px 0.025460 0.023181 0.006463 -0.089142 0.046868 0.088722 0Rh 5py 0.042258 0.006828 0.053717 -0.030202 -0.028388 -0.014097 0Rh 6pz -0.049840 -0.503134 -0.181948 -0.760551 0.348135 -0.503190 0Rh 6px -0.263348 -0.265672 -0.163407 0.631672 -0.535218 -0.857336 0Rh 6py -0.056148 0.240282 -0.426268 -0.131563 0.237825 0.208986 0Rh 1dz2 -0.003042 -0.029689 0.016403 0.003308 0.004133 -0.000865 0Rh 1dxz -0.002848 -0.006687 0.010826 0.008634 0.002631 -0.004436 0Rh 1dyz 0.014428 0.011097 -0.014286 0.006895 -0.007186 -0.001394 0Rh 1dx2y2 -0.003888 -0.018408 0.006402 -0.009924 -0.010762 0.011936 0Rh 1dxy -0.007245 0.005466 0.009738 -0.010660 0.001659 0.000287 0Rh 2dz2 0.000414 0.003214 -0.000571 0.000210 0.000289 0.001665 0Rh 2dxz 0.001221 -0.000068 -0.002014 -0.001898 -0.000261 -0.001350 0Rh 2dyz -0.001044 -0.000816 0.001813 -0.000998 0.000651 -0.000788 0Rh 2dx2y2 -0.000139 0.001847 -0.000463 0.001070 -0.000044 -0.002309 0Rh 2dxy 0.000238 -0.000284 -0.001298 0.000441 -0.000637 0.000641 0Rh 3dz2 0.004033 0.042894 -0.028790 -0.007078 -0.009087 -0.005415 0Rh 3dxz 0.000292 0.013038 -0.012133 -0.008340 -0.004011 0.014050 0Rh 3dyz -0.022830 -0.017577 0.019426 -0.008876 0.010822 0.005884 0Rh 3dx2y2 0.008092 0.027189 -0.010219 0.014227 0.020634 -0.012879 0Rh 3dxy 0.012797 -0.009173 -0.013087 0.018407 -0.000484 -0.003219 0Rh 4dz2 0.009508 0.075559 -0.024276 0.000056 0.000623 0.024497 0Rh 4dxz 0.020450 0.005449 -0.039645 -0.035343 -0.004147 -0.015229 0Rh 4dyz -0.031765 -0.024450 0.042044 -0.021258 0.017834 -0.008651 0Rh 4dx2y2 -0.000254 0.045023 -0.013586 0.023959 0.009028 -0.044741 0Rh 4dxy 0.010468 -0.009778 -0.028039 0.015975 -0.011250 0.009427 0Rh 5dz2 -0.025024 -0.038742 -0.087757 -0.049430 -0.069623 -0.121548 0Rh 5dxz -0.079482 0.053452 0.080097 0.074352 -0.042839 0.143530 0Rh 5dyz 0.008845 0.001135 -0.086854 0.032344 -0.017761 0.048359 0Rh 5dx2y2 0.079235 -0.007437 -0.003480 0.017772 0.116356 0.087906 0Rh 5dxy 0.040993 -0.019283 0.018781 0.066125 0.048018 -0.060829 0Rh 1f0 -0.000592 0.000353 0.003820 -0.000257 0.004418 0.002149 0Rh 1f+1 0.000564 0.000236 0.005726 -0.000458 -0.006589 0.009002 0Rh 1f-1 -0.001632 0.004523 0.001440 -0.008335 0.002446 -0.005034 0Rh 1f+2 -0.007358 -0.000858 0.003343 -0.005160 -0.006164 0.005336 0Rh 1f-2 0.009902 0.003232 0.004007 -0.004302 -0.009294 -0.002458 0Rh 1f+3 -0.004205 0.002721 -0.001654 -0.004650 -0.005425 0.003140 0Rh 1f-3 -0.009280 -0.001137 -0.003002 0.001837 0.000595 0.001889 1Rh 1s -0.002914 0.000819 -0.000156 -0.003558 -0.004831 0.002980 1Rh 2s 0.011151 -0.003654 0.000003 0.010205 0.018699 -0.009811 1Rh 3s -0.010081 0.002511 -0.000908 -0.014425 -0.016588 0.011299 1Rh 4s -0.049980 0.016622 0.000275 -0.044154 -0.083934 0.043282 1Rh 5s 0.043084 -0.018963 -0.005623 0.007881 0.074097 -0.023487 1Rh 6s 0.084554 -0.009129 0.021990 0.198569 0.136049 -0.129872 1Rh 7s -0.031568 -0.061863 -0.068320 -0.936800 -0.163540 0.501996 1Rh 8s -0.766587 0.127215 -0.209856 0.727658 -0.917460 -0.287658 1Rh 1pz -0.000429 0.003132 0.005257 0.005204 0.000138 0.012804 1Rh 1px 0.002525 0.000129 0.001188 0.002968 0.005367 0.002447 1Rh 1py 0.000253 0.000615 0.004062 0.004344 -0.000088 -0.005135 1Rh 2pz 0.001486 -0.010601 -0.018221 -0.017859 -0.000513 -0.044306 1Rh 2px -0.008833 -0.000279 -0.004113 -0.010678 -0.018924 -0.007981 1Rh 2py -0.001136 -0.001882 -0.013706 -0.015314 0.000412 0.017703 1Rh 3pz -0.001360 0.005359 0.017837 0.013972 0.001156 0.041808 1Rh 3px 0.010159 -0.003082 0.003930 0.018088 0.024694 -0.002009 1Rh 3py 0.006130 -0.002857 0.006202 0.019973 -0.002504 -0.015389 1Rh 4pz -0.002498 0.032236 0.020660 0.034646 -0.001899 0.056766 1Rh 4px 0.004289 0.014322 0.005282 -0.018873 -0.003124 0.048519 1Rh 4py -0.018302 0.019521 0.043557 -0.001900 0.008041 -0.027908 1Rh 5pz 0.001331 -0.043642 0.000039 -0.037822 -0.000580 -0.014087 1Rh 5px 0.013360 -0.036891 -0.004760 0.076300 0.061580 -0.093391 1Rh 5py 0.039043 -0.023417 -0.052785 0.035253 -0.020034 0.014669 1Rh 6pz 0.157822 0.474041 0.180022 0.673712 0.464262 0.474639 1Rh 6px -0.119996 0.439464 0.156854 -0.479563 -0.645050 0.937548 1Rh 6py -0.195462 -0.198323 0.424018 0.084774 0.249946 -0.220405 1Rh 1dz2 -0.011200 -0.027788 0.015753 0.004212 -0.003647 -0.000987 1Rh 1dxz -0.000326 -0.007086 0.010582 0.008675 -0.001278 -0.004422 1Rh 1dyz -0.007585 0.015912 -0.014479 0.005499 0.008769 -0.001672 1Rh 1dx2y2 -0.004986 -0.018693 0.006339 -0.012165 0.009024 0.011374 1Rh 1dxy 0.008499 0.002695 0.010093 -0.009812 -0.004021 0.000421 1Rh 2dz2 0.001038 0.003044 -0.000545 0.000248 -0.000293 0.001686 1Rh 2dxz -0.001032 0.000456 -0.002075 -0.001887 -0.000008 -0.001363 1Rh 2dyz 0.000532 -0.001149 0.001814 -0.000860 -0.000890 -0.000764 1Rh 2dx2y2 0.001004 0.001637 -0.000389 0.001085 0.000185 -0.002262 1Rh 2dxy -0.000292 -0.000229 -0.001294 0.000277 0.000768 0.000626 1Rh 3dz2 0.016918 0.039993 -0.027663 -0.008959 0.008198 -0.005268 1Rh 3dxz 0.004972 0.011599 -0.011410 -0.008489 0.002588 0.014075 1Rh 3dyz 0.012035 -0.025250 0.019784 -0.006823 -0.012818 0.006310 1Rh 3dx2y2 0.005132 0.028667 -0.010420 0.018428 -0.017949 -0.012009 1Rh 3dxy -0.014948 -0.004124 -0.013783 0.017482 0.004426 -0.003414 1Rh 4dz2 0.025542 0.071514 -0.023336 -0.000217 -0.001101 0.024882 1Rh 4dxz -0.014679 0.013364 -0.040331 -0.034814 -0.000927 -0.015394 1Rh 4dyz 0.016623 -0.034939 0.042276 -0.017642 -0.022921 -0.008038 1Rh 4dx2y2 0.021377 0.041364 -0.012251 0.026253 -0.005467 -0.043490 1Rh 4dxy -0.012543 -0.006335 -0.028284 0.012722 0.015253 0.009094 1Rh 5dz2 0.011898 -0.046178 -0.083157 -0.061853 0.065351 -0.121756 1Rh 5dxz 0.086607 0.014539 0.088055 0.065290 0.051240 0.143979 1Rh 5dyz -0.006565 0.004649 -0.085540 0.027945 0.028175 0.048970 1Rh 5dx2y2 -0.076404 0.028068 -0.013077 0.038494 -0.110052 0.088220 1Rh 5dxy -0.046762 0.000458 0.014907 0.073963 -0.035499 -0.060677 1Rh 1f0 -0.000109 -0.000064 -0.003688 -0.000480 0.004720 -0.002188 1Rh 1f+1 0.001161 -0.000562 -0.005964 0.001662 -0.006094 -0.008900 1Rh 1f-1 -0.003754 -0.003221 -0.001517 0.007813 0.004018 0.004956 1Rh 1f+2 -0.005683 0.003905 -0.003988 0.006329 -0.004905 -0.005343 1Rh 1f-2 0.007758 -0.007423 -0.003846 0.005744 -0.008155 0.002680 1Rh 1f+3 -0.005089 -0.000544 0.001114 0.005664 -0.004675 -0.003136 1Rh 1f-3 -0.007899 0.005137 0.002460 -0.001779 0.000080 -0.001975 2C 1s 0.004842 0.003500 0.005572 0.016293 -0.001470 -0.008582 2C 2s 0.011594 0.007166 0.013074 0.037575 -0.003486 -0.019010 2C 3s -0.009918 0.021178 -0.010972 -0.052589 -0.001913 0.022387 2C 4s -0.011862 -0.280861 -0.063695 -0.228901 0.102293 0.208619 2C 5s -1.877801 1.290214 -2.276090 3.147367 0.332875 -3.901710 2C 1pz -0.011888 -0.041672 -0.016762 0.018998 -0.040042 -0.018795 2C 1px 0.082479 0.111035 0.145808 0.007543 0.113331 0.035755 2C 1py 0.041058 0.030921 0.000605 0.040162 0.015454 -0.015159 2C 2pz -0.000239 -0.132375 -0.063433 0.289841 -0.126606 -0.193315 2C 2px 0.329033 0.423188 0.546277 0.112070 0.359581 0.132865 2C 2py 0.162050 0.072072 0.056022 0.301259 0.051482 -0.119071 2C 3pz -0.419536 0.412912 -0.501343 0.724425 0.563166 -0.946705 2C 3px -0.414463 -0.650801 -1.225086 0.346137 -0.817738 -0.630429 2C 3py -0.542969 -0.145257 -0.092860 0.162111 0.124760 -0.386130 2C 1dz2 0.000042 0.000188 0.001082 0.001561 0.000410 -0.000186 2C 1dxz -0.003821 0.000034 -0.001265 -0.001755 0.001260 -0.002596 2C 1dyz -0.000422 -0.001344 -0.002503 0.002837 -0.000512 -0.001987 2C 1dx2y2 -0.000121 -0.003301 -0.000990 -0.000464 -0.002347 -0.000091 2C 1dxy -0.000420 0.001062 -0.001276 -0.000667 0.000310 -0.000602 2C 2dz2 0.056523 0.035273 0.073943 0.038964 0.065975 -0.039088 2C 2dxz -0.078572 -0.052651 -0.050863 0.064095 -0.075700 -0.002269 2C 2dyz 0.034572 0.031153 0.011405 0.102814 -0.006219 -0.041307 2C 2dx2y2 -0.035122 -0.024421 -0.015572 -0.014958 -0.028408 0.023622 2C 2dxy -0.083033 -0.092283 -0.036459 0.053194 -0.060416 -0.018719 2C 1f0 0.006110 0.009318 0.003260 -0.003060 0.009445 -0.000186 2C 1f+1 0.001966 0.002110 0.002871 0.003633 -0.001488 0.001556 2C 1f-1 -0.003258 -0.004333 -0.003786 0.002425 -0.000943 -0.004141 2C 1f+2 -0.001272 -0.001740 -0.004643 0.005093 -0.007596 -0.001554 2C 1f-2 -0.007185 -0.006191 -0.006615 -0.001202 -0.005231 0.001739 2C 1f+3 0.004730 0.001893 0.003805 0.011583 -0.002897 -0.002923 2C 1f-3 0.006670 0.006242 0.008807 0.001019 0.006261 0.000692 3C 1s -0.002221 -0.005314 0.003458 0.014057 0.002139 -0.001141 3C 2s -0.005923 -0.010901 0.008270 0.032177 0.005672 -0.002834 3C 3s 0.013549 -0.025653 -0.014706 -0.052944 -0.013660 0.036393 3C 4s -0.064665 0.394954 -0.062601 -0.130950 0.106601 -0.206034 3C 5s 1.717166 -2.602039 1.131004 2.853010 -2.525098 -2.015783 3C 1pz -0.036319 -0.029695 0.054885 0.012765 -0.030298 -0.035557 3C 1px 0.078751 -0.016319 -0.094956 0.079129 0.102750 0.149527 3C 1py 0.028825 -0.007217 -0.012855 -0.005856 0.006350 0.043348 3C 2pz -0.137291 -0.058013 0.206022 0.176048 -0.095401 -0.217397 3C 2px 0.224183 -0.025845 -0.311889 0.357644 0.370206 0.516884 3C 2py 0.132376 0.013278 -0.121947 -0.236418 -0.002113 0.254553 3C 3pz 0.448493 0.203450 -0.446746 0.297203 -0.066328 -0.163671 3C 3px -0.382563 0.055765 0.721785 -0.236515 -0.696045 -1.425369 3C 3py -0.698195 0.617672 -0.160482 -0.987891 0.562318 0.428540 3C 1dz2 -0.000309 -0.000283 -0.000024 -0.000068 0.000914 0.001948 3C 1dxz 0.003242 -0.001824 -0.001507 0.001246 -0.000488 -0.000579 3C 1dyz 0.001051 -0.000090 -0.002051 -0.001794 -0.000132 0.001260 3C 1dx2y2 -0.001226 -0.001548 0.000072 -0.000987 0.000078 -0.000412 3C 1dxy -0.000681 0.000735 0.000307 -0.001332 0.002130 0.003715 3C 2dz2 0.026103 -0.049496 -0.006822 -0.019529 0.029074 0.014854 3C 2dxz -0.017493 -0.014306 0.018958 0.041123 -0.035774 -0.013284 3C 2dyz -0.025334 0.023394 0.009359 -0.090809 -0.047021 0.004412 3C 2dx2y2 -0.025971 0.011702 0.034442 -0.085971 -0.085036 -0.010485 3C 2dxy 0.080338 -0.001386 -0.101843 -0.005232 0.102697 0.078916 3C 1f0 0.002330 0.001285 -0.003186 -0.007916 -0.000799 0.001172 3C 1f+1 0.005126 0.000907 -0.006889 0.001908 0.006005 0.006415 3C 1f-1 -0.000374 -0.000857 0.001057 -0.003243 -0.001929 0.001625 3C 1f+2 -0.005495 -0.002729 0.001517 0.003571 0.002564 0.006977 3C 1f-2 -0.001132 -0.004587 0.003052 0.000021 0.000086 -0.001410 3C 1f+3 -0.006010 0.001609 0.004916 0.000244 -0.005193 -0.006064 3C 1f-3 -0.007329 0.004289 0.006335 -0.006775 -0.010544 -0.005918 4C 1s 0.003707 0.001569 0.001305 0.004114 0.000753 -0.000039 4C 2s 0.007696 0.003951 0.002873 0.009470 0.002551 -0.000076 4C 3s 0.007721 -0.061313 -0.011573 0.047292 -0.050610 -0.054691 4C 4s -0.226516 0.468223 0.030591 -0.495374 0.368331 0.281196 4C 5s 1.952652 0.133507 1.799654 -2.546823 -0.242918 3.158845 4C 1pz 0.018609 0.043056 0.005707 -0.077762 0.018204 0.048980 4C 1px -0.001830 -0.129143 -0.147549 -0.009072 -0.161568 -0.014717 4C 1py -0.035151 -0.086018 0.003260 -0.059976 -0.026709 0.040478 4C 2pz -0.034763 0.139004 0.008487 -0.245808 0.200805 0.009836 4C 2px 0.266202 -0.245972 0.067213 0.347583 -0.652314 0.423831 4C 2py 0.023654 -0.033346 0.069462 -0.022617 -0.084723 0.171833 4C 3pz -0.681014 0.256300 -0.952275 1.657073 0.569929 -1.836822 4C 3px -0.726250 0.123979 0.037651 0.104198 0.322464 -0.162811 4C 3py -0.374211 0.736955 -1.125502 1.176784 0.269999 -1.402506 4C 1dz2 -0.005868 -0.006065 -0.005414 0.001659 -0.000292 -0.005998 4C 1dxz 0.010000 0.000389 0.006364 0.002976 -0.000038 0.004914 4C 1dyz -0.000766 0.002491 -0.000634 0.004180 0.002266 -0.003092 4C 1dx2y2 0.001148 0.005837 0.003593 0.000132 0.002946 0.002609 4C 1dxy 0.005673 0.003111 0.005900 0.003360 0.002411 0.001799 4C 2dz2 -0.053738 0.001538 -0.115704 -0.175383 0.065947 -0.052652 4C 2dxz 0.030647 -0.005551 0.091854 0.161925 -0.177980 0.139082 4C 2dyz -0.057432 -0.010964 -0.054221 -0.132701 -0.022169 0.042291 4C 2dx2y2 0.033615 0.059963 -0.000014 0.036613 0.025335 0.016798 4C 2dxy 0.062741 0.069567 0.148635 0.074359 -0.096333 0.195276 4C 1f0 0.000807 -0.002743 -0.001530 0.003283 -0.004929 -0.000528 4C 1f+1 0.000263 -0.004720 -0.001722 0.007975 -0.002549 -0.008288 4C 1f-1 -0.002750 -0.002079 -0.005896 0.000845 0.004026 -0.009271 4C 1f+2 -0.005349 0.005456 -0.005238 -0.014191 0.011680 -0.002618 4C 1f-2 0.007242 0.003647 0.009893 0.007909 -0.004511 0.008005 4C 1f+3 -0.005121 0.003598 -0.003975 -0.008318 0.009203 -0.004797 4C 1f-3 -0.007772 -0.007577 -0.009381 -0.004478 0.004939 -0.014584 5C 1s -0.002096 0.000689 0.001143 0.002466 0.002905 -0.002850 5C 2s -0.004477 0.001562 0.002626 0.005537 0.006279 -0.006510 5C 3s 0.025261 0.031244 0.003558 0.074905 -0.005250 -0.013672 5C 4s 0.012309 -0.351098 -0.092802 -0.547278 -0.129414 0.204500 5C 5s -1.723030 0.873366 -0.415533 -2.859151 1.887137 2.235254 5C 1pz 0.040394 0.059705 -0.070456 -0.019763 0.026028 0.057014 5C 1px -0.157109 0.035177 0.076289 -0.103357 -0.042395 -0.128286 5C 1py -0.022477 0.021504 0.006204 0.060360 0.003121 -0.069470 5C 2pz 0.166272 -0.033350 -0.094254 -0.033865 0.039608 -0.066638 5C 2px -0.831562 0.249924 0.264204 -0.239700 0.038415 0.383036 5C 2py -0.067946 0.092289 0.033061 0.129251 -0.011755 -0.005595 5C 3pz 0.398086 -1.086195 0.703747 0.924266 -0.523070 -0.833687 5C 3px 0.468438 -0.637890 0.295429 0.673902 -0.813309 -0.211884 5C 3py -0.614880 0.619229 -0.397505 -1.475893 0.891182 1.486640 5C 1dz2 0.000697 0.000056 0.000751 -0.002870 -0.002852 -0.003975 5C 1dxz -0.001379 0.002622 0.000252 0.003012 0.002534 0.004224 5C 1dyz -0.001899 0.003318 -0.001013 -0.004300 0.004227 0.008744 5C 1dx2y2 -0.001670 -0.002519 -0.000514 -0.003518 0.006124 0.009562 5C 1dxy 0.001022 -0.002595 0.001958 -0.003755 -0.007257 -0.008034 5C 2dz2 0.078419 0.022616 -0.006884 0.074685 -0.008451 -0.096641 5C 2dxz -0.034650 0.116752 -0.022834 -0.035422 -0.003227 0.137598 5C 2dyz -0.071537 0.054181 0.014742 0.150990 0.014423 0.043986 5C 2dx2y2 -0.160079 0.051905 0.019485 0.050103 0.025907 0.111445 5C 2dxy 0.161012 -0.085722 -0.039080 0.047609 0.049890 -0.299699 5C 1f0 -0.007744 0.006075 0.000161 0.002347 0.000986 0.012416 5C 1f+1 0.013606 0.000276 -0.001800 0.003668 -0.003244 -0.015500 5C 1f-1 -0.003391 0.000522 -0.000604 -0.001617 0.000855 0.005428 5C 1f+2 0.005524 -0.002677 -0.003137 -0.003189 -0.000140 -0.001979 5C 1f-2 0.009618 -0.010447 -0.001588 -0.007453 -0.003176 -0.014018 5C 1f+3 0.011876 -0.000996 -0.000545 0.012103 -0.000915 -0.007073 5C 1f-3 -0.004059 -0.003354 -0.003346 -0.006678 0.003322 0.007918 6C 1s 0.002083 -0.000355 0.001116 0.002950 -0.002428 -0.002734 6C 2s 0.004512 -0.000721 0.002559 0.006564 -0.005235 -0.006269 6C 3s -0.011979 0.040790 0.003001 0.073023 0.018418 -0.013546 6C 4s -0.134174 -0.324108 -0.092721 -0.564383 0.031135 0.195463 6C 5s 1.862783 0.121548 -0.387220 -2.407627 -2.302536 2.321614 6C 1pz 0.006616 -0.071710 0.073690 0.014683 0.025430 -0.055804 6C 1px -0.148428 0.033706 -0.088640 0.110718 -0.017077 0.123954 6C 1py -0.031104 -0.008980 -0.007740 -0.059106 -0.005858 0.069004 6C 2pz 0.151356 -0.042517 0.109282 0.024746 0.038422 0.073153 6C 2px -0.824382 0.124354 -0.318863 0.232353 0.099988 -0.402966 6C 2py -0.094879 -0.053962 -0.038258 -0.121589 -0.030827 0.004403 6C 3pz 0.816299 0.859527 -0.695816 -0.796657 -0.635640 0.856183 6C 3px 0.698965 0.397305 -0.293794 -0.504248 -0.908127 0.242981 6C 3py -0.759442 -0.378770 0.387612 1.246668 1.090771 -1.545623 6C 1dz2 -0.000761 0.000440 0.000859 -0.003330 0.002320 -0.003964 6C 1dxz 0.002127 0.001698 0.000302 0.003365 -0.001914 0.004228 6C 1dyz 0.002975 0.002238 -0.001081 -0.003483 -0.004813 0.008845 6C 1dx2y2 0.000601 -0.002864 -0.000692 -0.002306 -0.006530 0.009692 6C 1dxy -0.002209 -0.001606 0.002212 -0.004880 0.006325 -0.007897 6C 2dz2 -0.061881 0.055233 -0.011014 0.072052 0.020905 -0.097594 6C 2dxz 0.082085 0.090711 -0.020554 -0.036866 -0.002898 0.136945 6C 2dyz 0.084944 0.017312 0.019770 0.151979 0.011427 0.045218 6C 2dx2y2 0.167160 -0.024218 0.028449 0.054512 -0.019018 0.111818 6C 2dxy -0.171862 -0.011048 -0.053037 0.055588 -0.037352 -0.303995 6C 1f0 -0.009114 -0.002252 -0.000751 -0.002447 0.000615 -0.012626 6C 1f+1 0.011971 -0.006123 0.002517 -0.003008 -0.003954 0.015686 6C 1f-1 -0.003307 0.001087 0.000389 0.001429 0.001077 -0.005523 6C 1f+2 0.005824 0.000042 0.003569 0.003184 0.000199 0.002157 6C 1f-2 0.012797 0.005284 0.002131 0.007816 -0.001987 0.014177 6C 1f+3 0.011248 -0.004265 0.001171 -0.011746 -0.003131 0.007196 6C 1f-3 -0.002641 0.004872 0.003255 0.005933 0.004273 -0.007948 7C 1s -0.002674 0.002767 0.001427 0.004321 -0.000148 0.000159 7C 2s -0.005247 0.006314 0.003144 0.010064 -0.001145 0.000352 7C 3s -0.029589 -0.048944 -0.011834 0.038017 0.059371 -0.054714 7C 4s 0.376943 0.318422 0.022619 -0.434785 -0.453727 0.268796 7C 5s -1.826593 0.904235 1.780360 -2.467050 -0.291782 3.227208 7C 1pz -0.001949 -0.044948 -0.003718 0.073786 0.032297 -0.048513 7C 1px 0.049155 0.117409 0.141162 0.037654 -0.164441 0.017091 7C 1py 0.006515 0.091350 -0.005503 0.063016 -0.016670 -0.040989 7C 2pz -0.090127 -0.097820 -0.002523 0.208371 0.241174 -0.008958 7C 2px 0.368369 0.083370 -0.082601 -0.236647 -0.701300 -0.425833 7C 2py 0.046186 0.017002 -0.073012 0.034147 -0.077586 -0.174751 7C 3pz -0.744146 0.032881 0.944764 -1.705740 0.214196 1.839945 7C 3px -0.701238 0.208004 -0.071828 -0.147446 0.303626 0.147789 7C 3py -0.699707 -0.506980 1.114503 -1.179893 0.014511 1.413813 7C 1dz2 0.003125 -0.008267 -0.005035 0.001493 0.000867 -0.005946 7C 1dxz -0.009024 0.004901 0.005772 0.003099 0.000268 0.005036 7C 1dyz 0.001852 0.001887 -0.000662 0.004502 -0.001552 -0.003136 7C 1dx2y2 0.001109 0.005701 0.003292 0.000533 -0.003017 0.002452 7C 1dxy -0.004191 0.005559 0.005470 0.003784 -0.002062 0.001771 7C 2dz2 0.058000 -0.024582 -0.118495 -0.162893 -0.090820 -0.055748 7C 2dxz -0.037598 0.018904 0.097661 0.130007 0.198933 0.139744 7C 2dyz 0.046199 -0.034731 -0.052250 -0.137816 0.001772 0.040070 7C 2dx2y2 -0.007053 0.067441 0.000852 0.042535 -0.019818 0.018650 7C 2dxy -0.042300 0.093617 0.151195 0.059027 0.102063 0.197511 7C 1f0 0.001848 0.001869 0.001349 -0.002403 -0.005462 0.000457 7C 1f+1 0.001561 0.003927 0.001846 -0.007333 -0.003999 0.008361 7C 1f-1 -0.002147 0.003274 0.005953 -0.001477 0.003508 0.009247 7C 1f+2 -0.007401 -0.001904 0.005408 0.012147 0.013808 0.002743 7C 1f-2 0.005674 -0.006849 -0.009782 -0.007218 -0.005399 -0.008109 7C 1f+3 -0.006451 -0.000612 0.004033 0.006694 0.010405 0.004822 7C 1f-3 -0.004860 0.010437 0.009405 0.003733 0.005200 0.014729 8C 1s -0.000050 -0.005568 0.003445 0.014337 0.000209 -0.001115 8C 2s 0.001124 -0.011944 0.008278 0.032984 -0.000301 -0.002733 8C 3s -0.022389 -0.017264 -0.015451 -0.055131 0.004974 0.035957 8C 4s 0.214552 0.321428 -0.057106 -0.107572 -0.125393 -0.202362 8C 5s -2.561156 -1.723467 1.100824 2.262543 2.894493 -2.132608 8C 1pz -0.015833 0.041292 -0.057245 -0.007214 -0.028945 0.034900 8C 1px 0.069992 -0.016552 0.104815 -0.096509 0.080983 -0.146388 8C 1py 0.028756 -0.005194 0.015636 0.005054 0.006543 -0.042562 8C 2pz -0.086676 0.108461 -0.214872 -0.155971 -0.111728 0.216159 8C 2px 0.184219 -0.063327 0.343405 -0.419571 0.281790 -0.506875 8C 2py 0.111900 -0.067065 0.132925 0.235612 0.033453 -0.251744 8C 3pz 0.268641 -0.348667 0.465994 -0.267174 -0.137245 0.192506 8C 3px -0.336700 0.120146 -0.777856 0.368726 -0.592169 1.417395 8C 3py -0.876183 -0.298490 0.133388 0.848927 0.709742 -0.460919 8C 1dz2 0.000075 -0.000332 -0.000056 0.000144 -0.000903 0.002027 8C 1dxz -0.003491 -0.000379 -0.001736 0.001093 0.000808 -0.000703 8C 1dyz -0.000887 0.000425 -0.002112 -0.001771 -0.000065 0.001257 8C 1dx2y2 0.000386 -0.001874 0.000123 -0.000957 -0.000213 -0.000407 8C 1dxy 0.000927 0.000401 0.000249 -0.000874 -0.002317 0.003737 8C 2dz2 -0.044410 -0.035219 -0.010127 -0.013220 -0.030086 0.015071 8C 2dxz 0.007415 -0.019127 0.022082 0.034815 0.041597 -0.012474 8C 2dyz 0.029213 0.012463 0.012454 -0.097746 0.029758 0.004898 8C 2dx2y2 0.022854 0.001138 0.040981 -0.099375 0.065992 -0.008490 8C 2dxy -0.065378 0.030421 -0.111345 0.012008 -0.095560 0.076601 8C 1f0 0.001548 -0.002103 0.003385 0.007896 0.000540 -0.001321 8C 1f+1 0.003654 -0.002688 0.007402 -0.003121 0.005237 -0.006315 8C 1f-1 0.000215 0.001012 -0.001177 0.003589 -0.001338 -0.001539 8C 1f+2 -0.003862 0.004597 -0.001696 -0.004062 0.001961 -0.007106 8C 1f-2 0.001007 0.004445 -0.003058 -0.000195 0.000210 0.001275 8C 1f+3 -0.005656 0.001042 -0.005479 0.000478 -0.004697 0.005738 8C 1f-3 -0.007771 -0.000899 -0.007376 0.008576 -0.008728 0.005801 9C 1s -0.003182 0.005638 0.005492 0.015963 0.004139 -0.008394 9C 2s -0.008099 0.012331 0.012875 0.036836 0.009642 -0.018544 9C 3s 0.017198 0.014984 -0.010573 -0.053199 -0.007174 0.021274 9C 4s -0.093257 -0.276827 -0.067368 -0.203307 -0.139996 0.211741 9C 5s 2.298364 0.437454 -2.216950 3.068859 0.339423 -3.946126 9C 1pz 0.008072 0.041503 0.013139 -0.012646 -0.043521 0.017831 9C 1px 0.031691 -0.136759 -0.137497 -0.028070 0.116887 -0.037103 9C 1py 0.021771 -0.043432 0.002064 -0.042079 0.008186 0.015198 9C 2pz 0.056743 0.114936 0.051959 -0.268761 -0.179020 0.186617 9C 2px 0.134516 -0.529180 -0.517317 -0.177133 0.359506 -0.138274 9C 2py 0.110785 -0.129014 -0.046805 -0.307517 -0.001166 0.116932 9C 3pz -0.595899 -0.192062 0.516125 -0.778659 0.406554 0.958177 9C 3px -0.138460 0.761394 1.191959 -0.187000 -0.925596 0.657321 9C 3py -0.418607 0.337977 0.082355 -0.183226 0.087435 0.399483 9C 1dz2 -0.000124 0.000311 0.001069 0.001618 -0.000170 -0.000155 9C 1dxz 0.003573 -0.001665 -0.001106 -0.001608 -0.001507 -0.002668 9C 1dyz -0.000006 -0.001403 -0.002430 0.002696 0.001106 -0.001966 9C 1dx2y2 -0.001320 -0.003029 -0.000803 -0.000844 0.002297 -0.000048 9C 1dxy 0.000949 0.000525 -0.001327 -0.000667 -0.000312 -0.000650 9C 2dz2 -0.036741 0.055472 0.067499 0.050139 -0.060327 -0.038219 9C 2dxz 0.048008 -0.080676 -0.040886 0.049735 0.086880 -0.000120 9C 2dyz -0.018407 0.045533 0.010429 0.101359 0.023164 -0.040881 9C 2dx2y2 0.019982 -0.034888 -0.013573 -0.020790 0.025858 0.023060 9C 2dxy 0.034997 -0.119720 -0.029875 0.041902 0.073148 -0.017792 9C 1f0 0.001217 -0.010724 -0.002343 0.001451 0.009967 0.000252 9C 1f+1 0.001192 -0.003209 -0.003164 -0.003369 -0.001659 -0.001734 9C 1f-1 -0.001292 0.005189 0.003494 -0.002301 -0.001464 0.004135 9C 1f+2 -0.000240 0.001743 0.003903 -0.003936 -0.008578 0.001490 9C 1f-2 -0.004095 0.008924 0.006149 0.002127 -0.005401 -0.001597 9C 1f+3 0.003505 -0.003472 -0.003413 -0.010874 -0.005026 0.002798 9C 1f-3 0.003851 -0.008875 -0.008449 -0.002600 0.006312 -0.000638 10H 1s 0.010420 -0.022940 -0.011618 0.030158 -0.025269 -0.014681 10H 2s -0.075652 -0.438781 -0.303417 0.377053 -0.453723 -0.211251 10H 3s 0.520079 0.656923 1.228048 -0.567938 1.174551 0.640526 10H 1pz -0.014769 -0.008098 -0.013870 0.005555 -0.009350 -0.007346 10H 1px 0.005058 0.017349 0.014765 -0.010411 0.018100 0.006188 10H 1py -0.006574 -0.003433 0.001613 0.001553 -0.001314 0.000319 11H 1s 0.004586 0.009395 0.023886 0.022075 0.010698 -0.013650 11H 2s 0.264373 0.192693 0.422013 0.312504 0.128827 -0.081288 11H 3s -0.132654 -0.575463 -0.720501 -0.009405 -0.255108 -0.070077 11H 1pz 0.014954 0.006682 0.003705 0.005740 -0.006027 0.003729 11H 1px 0.012484 0.018018 0.014866 0.004200 0.008293 0.000285 11H 1py 0.007425 0.005320 -0.003831 -0.004841 -0.001912 0.005244 12H 1s 0.018919 0.021502 0.020735 0.029810 0.017238 -0.011873 12H 2s 0.450292 0.356332 0.445533 0.425931 0.256016 -0.070058 12H 3s -0.425515 -0.784623 -0.302793 -0.535442 -0.499523 0.312263 12H 1pz 0.002501 -0.012730 0.003031 -0.002437 -0.006086 0.004005 12H 1px 0.012271 0.014722 0.016271 0.005537 0.008971 0.001676 12H 1py 0.017478 0.010181 0.015660 0.011432 0.003476 0.001535 13H 1s -0.029645 0.000314 0.024383 0.013720 -0.001592 -0.024973 13H 2s -0.479484 -0.003449 0.462661 0.103475 -0.207162 -0.482489 13H 3s 0.666458 0.339679 -1.146033 0.220685 0.897835 1.094571 13H 1pz -0.009825 0.001991 0.011132 0.000062 -0.010718 -0.010680 13H 1px 0.015875 0.004177 -0.015678 0.000414 0.007812 0.012829 13H 1py 0.001747 0.004915 -0.009935 0.000409 0.012790 0.008816 14H 1s 0.013740 -0.014674 -0.010363 0.039360 0.013760 0.012810 14H 2s 0.115414 -0.116635 -0.195398 0.540635 0.421630 0.378119 14H 3s -0.544781 0.709913 0.364978 -0.882338 -0.333815 -1.039035 14H 1pz -0.006474 0.002079 0.000190 0.004335 0.008759 0.005694 14H 1px 0.005757 -0.003484 -0.010344 0.014721 0.018582 0.020390 14H 1py 0.009508 -0.009461 0.001780 0.003307 -0.007880 -0.004623 15H 1s 0.001510 -0.000609 -0.005149 0.026467 0.009731 -0.003330 15H 2s -0.020433 -0.025058 -0.076311 0.325762 0.236873 0.061251 15H 3s -0.133137 0.100906 0.282305 -0.023935 -0.147310 -0.210828 15H 1pz -0.005095 -0.001316 0.005829 -0.008445 -0.001882 -0.002372 15H 1px 0.007352 -0.006769 -0.004784 0.003206 0.008826 0.010180 15H 1py 0.005799 0.010228 -0.003398 -0.000463 -0.006972 -0.008514 16H 1s -0.044291 -0.000006 -0.002919 -0.019593 0.045609 0.020038 16H 2s -0.209685 0.001969 0.115615 0.000317 0.277027 0.238913 16H 3s 0.348114 0.059543 -0.041318 -0.111216 -0.436755 -0.393659 16H 1pz 0.004145 0.000498 0.013421 0.013515 -0.002323 0.014317 16H 1px -0.018788 -0.001772 -0.004785 -0.017827 0.015445 -0.009242 16H 1py 0.004423 -0.003817 -0.001446 -0.002126 0.000369 -0.003141 17H 1s 0.059984 0.016904 -0.024437 -0.015957 -0.023549 -0.015528 17H 2s 0.285031 -0.017837 -0.097521 -0.101079 -0.090781 -0.225244 17H 3s -0.614933 -0.041987 0.466972 0.042312 0.264636 0.578259 17H 1pz -0.005207 -0.001149 -0.002903 0.002176 0.003158 0.004017 17H 1px 0.023428 0.017196 0.001812 -0.002751 -0.006230 0.023863 17H 1py -0.002353 -0.005649 0.007268 -0.002014 0.005500 0.006362 18H 1s -0.044040 0.041420 -0.027417 -0.019999 0.020633 -0.016784 18H 2s -0.250929 0.103778 -0.113170 -0.119955 0.074525 -0.232200 18H 3s 0.485666 -0.288323 0.503866 0.104096 -0.267314 0.604743 18H 1pz -0.003958 0.003309 0.003160 -0.002501 0.002405 -0.003517 18H 1px 0.014046 -0.027188 -0.000631 0.002949 -0.005214 -0.023848 18H 1py 0.001467 0.005778 -0.007096 0.001076 0.005698 -0.006615 19H 1s 0.040692 -0.021946 -0.002199 -0.011336 -0.048928 0.020035 19H 2s 0.183337 -0.097880 0.111914 0.050614 -0.279148 0.235305 19H 3s -0.272786 0.240836 -0.037269 -0.184438 0.418439 -0.376558 19H 1pz 0.004462 -0.003223 -0.012743 -0.013120 -0.004147 -0.013974 19H 1px -0.017349 0.010216 0.003902 0.014853 0.018382 0.008290 19H 1py 0.005473 0.001102 0.001759 0.001764 0.000271 0.002888 20H 1s -0.000630 0.000294 -0.005559 0.028210 -0.004578 -0.003240 20H 2s 0.020710 -0.027983 -0.083564 0.372255 -0.170755 0.068211 20H 3s 0.124532 0.034580 0.298267 -0.054055 0.123444 -0.208297 20H 1pz -0.003254 0.003309 -0.006195 0.008655 -0.000155 0.002260 20H 1px 0.008854 0.003231 0.005746 -0.004881 0.007670 -0.010111 20H 1py 0.000696 -0.011430 0.003537 0.002091 -0.006780 0.009068 21H 1s -0.017137 -0.007737 -0.012026 0.041468 -0.005747 0.012080 21H 2s -0.126833 -0.060096 -0.223682 0.610974 -0.304014 0.368433 21H 3s 0.747827 0.417752 0.422796 -0.921659 0.145578 -1.011710 21H 1pz -0.006926 0.000783 -0.000096 -0.005849 0.007954 -0.005738 21H 1px 0.005180 0.000907 0.011728 -0.017713 0.014973 -0.019954 21H 1py 0.012615 0.004710 -0.001472 -0.001931 -0.008353 0.004867 22H 1s 0.025335 -0.011851 0.026335 0.013446 0.002432 -0.024210 22H 2s 0.397958 -0.191884 0.502030 0.069614 0.194869 -0.468606 22H 3s -0.397476 0.570289 -1.219587 0.386274 -0.774128 1.077841 22H 1pz -0.008953 0.001790 -0.012041 0.001842 -0.009834 0.010524 22H 1px 0.011337 -0.010086 0.017084 -0.001794 0.006714 -0.012358 22H 1py -0.001221 -0.004647 0.010693 -0.002506 0.012093 -0.008669 23H 1s -0.007826 0.026875 0.018840 0.032589 -0.012404 -0.011694 23H 2s -0.259416 0.506880 0.407488 0.470555 -0.190922 -0.065991 23H 3s 0.041290 -0.868174 -0.252857 -0.601812 0.397999 0.309482 23H 1pz 0.007958 0.010339 -0.003156 0.003372 -0.005568 -0.004153 23H 1px 0.005175 -0.018372 -0.014955 -0.006890 0.008554 -0.001598 23H 1py 0.012005 -0.016761 -0.014623 -0.012128 0.001865 -0.001710 24H 1s -0.001233 0.011647 0.023916 0.024157 -0.008001 -0.013041 24H 2s -0.178117 0.308718 0.415765 0.342217 -0.095449 -0.070736 24H 3s -0.067823 -0.621151 -0.733177 -0.068618 0.295034 -0.086896 24H 1pz 0.011083 -0.012920 -0.003582 -0.004989 -0.006637 -0.003970 24H 1px 0.004316 -0.022151 -0.014109 -0.005940 0.008134 -0.000262 24H 1py 0.004119 -0.007821 0.004040 0.005003 -0.001088 -0.005153 25H 1s -0.018998 -0.015611 -0.010784 0.025792 0.030819 -0.014283 25H 2s -0.113693 -0.425738 -0.273591 0.298446 0.529183 -0.202974 25H 3s -0.207571 0.801047 1.158526 -0.344872 -1.318909 0.654208 25H 1pz -0.010085 0.013784 0.012522 -0.003871 -0.011021 0.007119 25H 1px -0.002656 -0.017696 -0.013432 0.007173 0.020398 -0.005864 25H 1py -0.004279 0.006072 -0.002053 -0.001167 -0.001438 -0.000451 26O 1s 0.000417 -0.008941 -0.008200 -0.001957 -0.006008 -0.002229 26O 2s -0.000164 -0.021250 -0.020470 -0.005165 -0.014488 -0.005422 26O 3s 0.021543 0.024406 0.043541 0.016958 0.015468 0.015552 26O 4s -0.101443 0.175136 0.042086 -0.026288 0.080468 0.041757 26O 5s -0.061762 -0.569156 -0.324485 -0.358298 0.350820 -0.887168 26O 1pz -0.056003 -0.050598 -0.003223 0.033600 -0.060965 0.008831 26O 1px -0.055048 -0.098966 -0.067182 -0.045331 -0.021488 -0.028109 26O 1py -0.025616 0.035150 -0.049791 -0.009745 -0.057833 0.022315 26O 2pz -0.088323 -0.099674 0.022220 0.098205 -0.101781 0.026953 26O 2px -0.039436 -0.118179 -0.011062 -0.009412 -0.069413 0.055161 26O 2py 0.002124 0.126280 -0.063655 0.034511 -0.124868 0.073629 26O 3pz 0.229953 0.161386 -0.031323 -0.448425 0.202374 0.066490 26O 3px 0.289274 0.266289 0.162688 0.142149 -0.401916 0.617352 26O 3py 0.029712 -0.429528 0.239832 -0.171611 0.070010 0.123207 26O 1dz2 -0.002424 0.000343 -0.000815 -0.001623 0.003574 -0.003956 26O 1dxz 0.001611 -0.000960 -0.000954 -0.001114 -0.000223 -0.001302 26O 1dyz 0.000277 0.000167 -0.001918 -0.001783 -0.000747 0.000376 26O 1dx2y2 0.002409 0.000756 0.002297 0.001028 -0.005052 0.005102 26O 1dxy 0.002297 -0.003300 -0.000901 0.000725 -0.004661 0.002043 26O 2dz2 0.004830 0.016063 0.011962 0.008647 -0.005652 0.035921 26O 2dxz -0.007152 -0.004656 -0.013584 -0.005897 -0.002635 -0.010564 26O 2dyz -0.018092 -0.016060 -0.006295 -0.003294 -0.007543 0.000988 26O 2dx2y2 -0.013662 -0.012643 -0.026873 -0.011864 0.000107 -0.022448 26O 2dxy -0.018794 -0.015281 -0.027205 -0.015118 0.000329 -0.021435 26O 1f0 -0.000220 0.000020 -0.000165 0.000137 0.000339 -0.000228 26O 1f+1 -0.000124 -0.000531 -0.000691 -0.000690 0.000827 -0.001779 26O 1f-1 -0.000648 -0.000271 -0.000438 -0.001452 0.000272 0.000246 26O 1f+2 -0.000202 0.000057 0.000084 0.000541 -0.000662 0.000895 26O 1f-2 0.000238 0.000000 0.000181 -0.000776 -0.000000 0.001001 26O 1f+3 -0.001125 -0.000944 -0.000742 -0.000534 0.000170 -0.000664 26O 1f-3 -0.000539 -0.000467 -0.001402 -0.000201 0.001041 -0.003139 27O 1s -0.006157 0.001787 0.006101 -0.005197 0.001118 -0.007748 27O 2s -0.013690 0.003842 0.014413 -0.013114 0.001293 -0.018588 27O 3s -0.009448 0.003755 -0.014281 0.024027 0.021092 0.030380 27O 4s 0.182819 -0.073515 -0.097362 -0.006222 -0.134979 0.139226 27O 5s 0.703856 0.081958 -0.231179 0.486412 0.297950 -1.077238 27O 1pz -0.033234 -0.037111 0.056194 -0.040865 -0.032704 -0.004054 27O 1px -0.007544 0.000496 0.023667 -0.043289 -0.054842 -0.081709 27O 1py 0.044611 -0.037739 -0.000555 0.005028 0.063888 -0.014201 27O 2pz -0.052879 -0.092155 0.135465 -0.067995 -0.058999 -0.009277 27O 2px -0.114947 0.014236 0.045172 -0.084715 -0.065155 0.015272 27O 2py 0.095843 -0.093841 0.015235 -0.006085 0.093512 -0.072952 27O 3pz 0.132678 0.221406 -0.340908 0.178266 0.130580 -0.105116 27O 3px -0.817677 0.064669 0.248238 -0.432605 0.066657 0.588264 27O 3py 0.052110 0.261586 -0.071294 0.248039 -0.245281 0.213711 27O 1dz2 0.005490 -0.001227 -0.001814 0.002320 -0.000348 -0.002805 27O 1dxz 0.000895 -0.000799 -0.001027 0.001894 0.000151 -0.003453 27O 1dyz 0.000085 0.000554 -0.000320 0.001885 0.000613 -0.000296 27O 1dx2y2 -0.008548 0.001244 0.001567 -0.004178 0.000598 0.004969 27O 1dxy 0.003566 0.000246 -0.001410 0.002280 -0.001539 0.003367 27O 2dz2 -0.015178 0.012816 0.000305 0.008240 0.011249 0.033455 27O 2dxz -0.002317 0.000831 -0.000098 -0.002439 0.001831 0.001907 27O 2dyz -0.000087 -0.007572 -0.007489 0.010010 0.014109 -0.011060 27O 2dx2y2 0.028239 0.003841 -0.004726 0.019645 -0.007110 -0.040186 27O 2dxy -0.010074 0.004350 -0.006645 0.002449 0.011875 0.021582 27O 1f0 -0.000286 0.000080 0.000036 0.000937 0.000737 -0.000063 27O 1f+1 0.002143 -0.000531 -0.000184 0.001790 -0.000216 -0.002005 27O 1f-1 -0.000577 0.000014 -0.000313 -0.000359 0.000277 -0.000121 27O 1f+2 -0.000238 0.000251 0.000011 0.001082 -0.000044 -0.000901 27O 1f-2 -0.000389 0.000435 0.000250 0.000177 -0.000593 -0.000090 27O 1f+3 0.002486 -0.000213 -0.000698 0.000704 -0.000395 -0.002318 27O 1f-3 -0.001873 0.000482 0.000509 -0.000781 -0.000214 0.002120 28O 1s -0.005219 0.006561 0.003904 0.000336 0.003084 0.002994 28O 2s -0.010733 0.015895 0.009531 -0.000063 0.007071 0.006956 28O 3s -0.017527 -0.021004 -0.017098 0.006499 0.003377 -0.007475 28O 4s 0.237391 -0.057071 -0.042571 -0.083854 -0.058076 -0.068565 28O 5s -0.369274 -0.469957 0.399684 0.833269 -0.754656 0.596957 28O 1pz 0.036943 0.003564 0.072287 -0.044092 0.052532 0.028404 28O 1px -0.012617 -0.007259 -0.016271 -0.023391 0.014070 -0.025025 28O 1py 0.031982 0.056395 -0.052416 -0.001462 0.035732 -0.047492 28O 2pz 0.002798 -0.016768 0.047439 -0.141237 0.125761 -0.020110 28O 2px -0.018540 -0.026754 0.025335 0.021752 -0.037180 0.006946 28O 2py 0.039961 0.109204 -0.149041 -0.006659 0.057587 -0.117542 28O 3pz 0.040061 0.521537 0.190921 -0.137919 0.385112 0.081153 28O 3px 0.295537 -0.358112 0.114347 0.633041 -0.686167 0.235941 28O 3py 0.029271 -0.088518 0.658104 -0.016235 0.016168 0.531009 28O 1dz2 0.001230 0.002401 0.002039 0.002562 0.001251 0.001604 28O 1dxz 0.002602 -0.005235 -0.001212 0.004853 -0.008002 0.002625 28O 1dyz 0.000536 0.001220 0.002596 -0.000816 0.001538 0.001718 28O 1dx2y2 -0.003219 0.002590 -0.001304 -0.006013 0.005017 -0.000787 28O 1dxy -0.001186 -0.000885 -0.004629 -0.000952 -0.001218 -0.002163 28O 2dz2 0.002822 0.017081 0.001195 -0.004601 -0.002903 -0.000660 28O 2dxz -0.015270 0.013495 -0.025690 -0.032444 0.024993 -0.023848 28O 2dyz -0.000379 0.002754 0.008832 -0.015026 -0.000712 0.005732 28O 2dx2y2 0.013730 -0.003068 0.005216 0.016660 -0.013797 0.000355 28O 2dxy -0.000120 0.003498 -0.001361 -0.015187 0.004686 0.000122 28O 1f0 0.000496 -0.000970 0.000697 0.000989 -0.001052 -0.000256 28O 1f+1 0.000180 -0.000328 0.000862 0.001789 -0.001461 0.000446 28O 1f-1 0.000270 0.000747 0.000994 -0.001377 -0.000200 0.000834 28O 1f+2 -0.001482 0.000528 -0.001252 -0.001834 0.002182 -0.001561 28O 1f-2 0.000483 -0.000021 -0.000023 0.000150 -0.000703 -0.000144 28O 1f+3 -0.000844 0.000427 -0.000311 -0.001180 0.000754 -0.000288 28O 1f-3 -0.000474 0.000125 -0.000215 0.001050 -0.000834 0.000141 29O 1s 0.001673 0.001011 -0.006901 -0.004867 -0.000288 -0.000193 29O 2s 0.004094 0.002158 -0.015150 -0.010413 -0.000177 -0.000849 29O 3s -0.005888 0.000673 -0.001930 -0.006804 -0.006272 0.007368 29O 4s -0.030447 -0.047003 0.237432 0.198760 0.041222 -0.035387 29O 5s 0.077313 0.127270 -0.440270 -0.389246 -0.073265 0.120997 29O 1pz -0.109490 -0.024177 0.014106 -0.016275 0.077329 0.045966 29O 1px -0.050200 -0.011827 0.042486 0.017858 0.029898 0.014579 29O 1py 0.042211 0.024087 -0.029070 -0.020666 0.024256 -0.007514 29O 2pz -0.209002 -0.055493 0.037237 -0.016915 0.154348 0.114920 29O 2px -0.109100 -0.005801 0.099385 0.023375 0.056241 0.049295 29O 2py 0.081778 0.046269 -0.053695 -0.034646 0.064672 -0.020061 29O 3pz 0.284097 0.189149 0.022164 0.052713 -0.187806 -0.017530 29O 3px 0.192393 0.000252 -0.265491 0.118142 -0.134824 -0.138691 29O 3py -0.148200 -0.124072 0.180385 0.058527 -0.110293 0.020882 29O 1dz2 -0.001506 0.000478 0.000702 -0.000214 0.002441 0.001498 29O 1dxz 0.001710 0.000329 -0.000252 -0.000558 -0.001118 -0.000740 29O 1dyz -0.002319 0.000750 0.001444 0.001028 0.001689 0.002871 29O 1dx2y2 0.001317 0.000516 -0.001114 0.000299 0.000275 -0.000704 29O 1dxy -0.000546 0.000409 -0.000493 0.000435 -0.000004 0.000789 29O 2dz2 -0.008629 -0.005649 -0.003754 -0.010448 0.003311 -0.010104 29O 2dxz 0.013433 0.007785 0.003342 0.008449 -0.006732 0.011868 29O 2dyz -0.005311 -0.000189 -0.001179 -0.006025 0.005215 -0.004741 29O 2dx2y2 0.007548 -0.002325 0.007262 -0.008848 0.000941 0.012903 29O 2dxy -0.004670 -0.013014 0.004716 0.007891 -0.001744 -0.003593 29O 1f0 -0.000173 -0.000747 0.000834 0.000516 0.000187 0.000304 29O 1f+1 0.000324 0.000587 0.000051 0.000243 -0.000036 0.000848 29O 1f-1 0.000824 -0.000317 0.000752 0.001255 -0.000463 0.000225 29O 1f+2 -0.000847 0.000009 -0.000428 -0.000628 0.000481 -0.000622 29O 1f-2 -0.001152 -0.001071 0.000029 0.000051 0.000596 -0.001034 29O 1f+3 0.000675 0.000245 0.000308 -0.000414 -0.000024 0.000873 29O 1f-3 0.000534 0.000003 -0.000172 0.000142 -0.000270 0.000570 30O 1s 0.006674 -0.000540 -0.003354 0.001185 -0.003258 0.008187 30O 2s 0.015531 -0.001641 -0.008372 0.002522 -0.006463 0.020416 30O 3s -0.007706 0.004468 0.013568 -0.000021 -0.013201 -0.044392 30O 4s -0.120353 -0.048039 0.027306 -0.062071 0.170405 -0.050127 30O 5s -0.390575 0.835786 0.113924 0.318209 -0.468879 0.794501 30O 1pz 0.017393 -0.057578 0.010638 0.036815 0.040826 0.077665 30O 1px 0.008086 -0.060854 0.018411 -0.000521 0.015466 -0.057762 30O 1py -0.056653 -0.045809 0.057726 0.018366 -0.047233 -0.011036 30O 2pz 0.049445 -0.183767 0.044720 0.056659 0.063607 0.051148 30O 2px -0.012808 -0.061831 0.040451 0.023126 0.003654 -0.013019 30O 2py -0.119317 -0.041642 0.084414 0.047596 -0.045358 0.107758 30O 3pz 0.272877 0.319117 -0.456598 -0.258849 -0.032594 -0.131164 30O 3px -0.632359 0.573172 0.032288 0.103065 0.080451 0.425501 30O 3py -0.102492 0.179711 0.109957 -0.065362 -0.090050 -0.452704 30O 1dz2 -0.001386 0.002937 -0.000429 0.001096 0.001150 0.000677 30O 1dxz -0.006369 0.002053 0.003992 0.001380 0.000286 0.002707 30O 1dyz -0.004716 0.001659 0.001505 0.000132 -0.000838 -0.002905 30O 1dx2y2 0.003131 -0.001725 0.000291 -0.001988 -0.001483 -0.003866 30O 1dxy 0.005075 -0.003549 -0.002225 0.002256 0.000252 0.000327 30O 2dz2 -0.001750 0.005260 -0.003069 -0.003037 -0.004229 -0.011875 30O 2dxz 0.014271 -0.009669 -0.012805 -0.015411 -0.004007 -0.034419 30O 2dyz 0.003724 -0.015840 0.014585 -0.000563 -0.003931 -0.029641 30O 2dx2y2 -0.007698 0.011114 -0.003194 0.003640 0.002423 -0.004985 30O 2dxy -0.014961 0.018990 0.005795 0.008766 0.004498 0.029773 30O 1f0 -0.000763 0.000508 0.001020 0.001024 0.000194 0.000318 30O 1f+1 -0.000378 -0.000218 0.000709 0.000141 -0.001075 0.000297 30O 1f-1 -0.000103 0.000264 0.000797 0.000775 -0.000030 0.000543 30O 1f+2 0.000871 -0.000496 0.000533 0.000025 -0.000401 -0.001488 30O 1f-2 0.001718 -0.000900 -0.000274 -0.000723 -0.000294 -0.002381 30O 1f+3 -0.000512 0.000255 -0.000011 0.000027 -0.000258 0.001067 30O 1f-3 0.001191 -0.001307 -0.000051 -0.001105 -0.000109 -0.001834 31O 1s -0.005989 0.002414 -0.003648 0.000580 0.003636 0.007967 31O 2s -0.014052 0.005246 -0.009112 0.001304 0.007368 0.019907 31O 3s 0.007863 0.001022 0.014763 -0.002092 0.011874 -0.044167 31O 4s 0.088061 -0.098125 0.026405 -0.031336 -0.179227 -0.045676 31O 5s 0.653752 0.610410 0.172373 0.227636 0.504399 0.804894 31O 1pz 0.042422 0.043657 -0.007732 -0.044038 0.032402 -0.077414 31O 1px 0.033148 0.050208 -0.016941 -0.002640 0.015762 0.056606 31O 1py -0.025374 0.063901 -0.063210 -0.009759 -0.046919 0.009713 31O 2pz 0.127013 0.142829 -0.038511 -0.068376 0.050591 -0.050842 31O 2px 0.017374 0.059695 -0.041052 -0.022930 0.000957 0.011335 31O 2py -0.078108 0.085684 -0.094560 -0.039708 -0.049248 -0.111085 31O 3pz 0.063516 -0.389790 0.476743 0.261185 -0.002712 0.145487 31O 3px -0.788262 -0.259221 -0.077178 -0.119322 0.068112 -0.446104 31O 3py -0.166052 -0.119093 -0.119049 0.091122 -0.066110 0.451879 31O 1dz2 0.002547 0.002010 -0.000360 0.001288 -0.000936 0.000710 31O 1dxz 0.006152 -0.000829 0.004425 0.001367 -0.000296 0.002856 31O 1dyz 0.004758 -0.000520 0.001872 -0.000091 0.000718 -0.002792 31O 1dx2y2 -0.003492 -0.000218 0.000143 -0.002250 0.001105 -0.003924 31O 1dxy -0.005873 -0.000950 -0.002563 0.002385 0.000350 0.000264 31O 2dz2 0.004167 0.004105 -0.002802 -0.003587 0.003433 -0.011770 31O 2dxz -0.015011 -0.003113 -0.013831 -0.016067 0.001693 -0.035006 31O 2dyz -0.010573 -0.012403 0.014387 -0.000735 0.002987 -0.029497 31O 2dx2y2 0.011673 0.006870 -0.002689 0.004083 -0.001802 -0.004659 31O 2dxy 0.020511 0.011217 0.006774 0.009603 -0.003316 0.030064 31O 1f0 -0.000815 -0.000155 -0.001067 -0.001040 0.000066 -0.000336 31O 1f+1 -0.000177 0.000343 -0.000772 0.000043 -0.001036 -0.000303 31O 1f-1 -0.000142 -0.000224 -0.000804 -0.000758 -0.000118 -0.000547 31O 1f+2 0.000975 0.000064 -0.000496 0.000047 -0.000361 0.001503 31O 1f-2 0.001831 0.000113 0.000388 0.000763 -0.000167 0.002443 31O 1f+3 -0.000559 -0.000039 -0.000034 0.000026 -0.000269 -0.001091 31O 1f-3 0.001550 0.000687 0.000145 0.001104 0.000083 0.001860 32O 1s -0.000507 0.000774 -0.007292 -0.005136 -0.000497 -0.000886 32O 2s -0.001526 0.001781 -0.016078 -0.010948 -0.001489 -0.002423 32O 3s 0.005885 -0.001450 -0.001032 -0.007549 0.004960 0.007994 32O 4s -0.012524 -0.032032 0.244707 0.210156 -0.008092 -0.017904 32O 5s 0.019528 0.121454 -0.445789 -0.401147 0.009078 0.105333 32O 1pz -0.086077 0.075227 -0.018888 0.001569 0.079229 -0.047077 32O 1px -0.036487 0.030724 -0.045414 -0.024138 0.026811 -0.017059 32O 1py 0.021161 -0.037685 0.031103 0.015055 0.029883 0.005525 32O 2pz -0.158017 0.152119 -0.045125 -0.012224 0.155358 -0.116111 32O 2px -0.088484 0.046559 -0.107024 -0.036827 0.053431 -0.056515 32O 2py 0.040706 -0.073887 0.057734 0.019993 0.074367 0.014198 32O 3pz 0.163982 -0.323318 -0.006671 -0.020827 -0.191802 0.015779 32O 3px 0.158566 -0.060728 0.284708 -0.078804 -0.161727 0.166096 32O 3py -0.053946 0.172261 -0.185959 -0.033419 -0.123293 -0.010049 32O 1dz2 0.001488 -0.000230 0.000619 0.000184 -0.002439 0.001410 32O 1dxz -0.001411 0.001077 -0.000288 -0.000764 0.001041 -0.000791 32O 1dyz 0.002351 -0.000241 0.001488 0.001346 -0.001624 0.002930 32O 1dx2y2 -0.000910 0.000992 -0.001217 0.000304 -0.000174 -0.000797 32O 1dxy 0.000613 0.000091 -0.000513 0.000386 0.000105 0.000692 32O 2dz2 0.005281 -0.009079 -0.003222 -0.009738 -0.004375 -0.009843 32O 2dxz -0.009371 0.013790 0.002330 0.007291 0.007895 0.011425 32O 2dyz 0.004999 -0.003332 -0.000722 -0.005402 -0.006603 -0.004420 32O 2dx2y2 -0.009222 0.002694 0.006582 -0.008059 -0.002144 0.013355 32O 2dxy -0.002705 -0.013774 0.004947 0.007160 0.003644 -0.003562 32O 1f0 0.000211 0.000713 -0.000761 -0.000476 0.000110 -0.000283 32O 1f+1 0.000046 -0.000737 -0.000013 -0.000237 -0.000054 -0.000873 32O 1f-1 0.000929 -0.000051 -0.000685 -0.001164 -0.000636 -0.000146 32O 1f+2 -0.000846 0.000384 0.000397 0.000583 0.000584 0.000577 32O 1f-2 -0.000613 0.001540 -0.000068 -0.000108 0.000554 0.001033 32O 1f+3 0.000536 -0.000554 -0.000267 0.000375 0.000067 -0.000843 32O 1f-3 0.000544 -0.000295 0.000189 -0.000116 -0.000325 -0.000597 33O 1s 0.007306 0.003608 0.003972 0.000681 -0.003111 0.002924 33O 2s 0.015988 0.009620 0.009589 0.000745 -0.007308 0.006780 33O 3s 0.007586 -0.027657 -0.015624 0.007139 -0.001466 -0.007107 33O 4s -0.236573 0.056459 -0.053679 -0.088544 0.043449 -0.068806 33O 5s 0.117311 -0.552644 0.449249 0.690640 0.870994 0.603537 33O 1pz 0.035261 -0.021148 -0.067264 0.033024 0.062450 -0.029233 33O 1px -0.007544 0.012916 0.015964 0.020769 0.016876 0.025437 33O 1py -0.001101 -0.062964 0.055881 -0.003999 0.033259 0.047649 33O 2pz 0.012219 0.014646 -0.040537 0.116130 0.150154 0.019649 33O 2px -0.000721 0.029650 -0.027505 -0.014812 -0.040118 -0.006279 33O 2py -0.024507 -0.110655 0.154625 -0.000749 0.051526 0.118840 33O 3pz -0.182646 -0.469720 -0.184020 0.069217 0.414367 -0.084763 33O 3px 0.420107 0.167404 -0.130293 -0.515842 -0.780696 -0.245116 33O 3py 0.109053 0.056348 -0.663955 0.000512 0.049931 -0.539691 33O 1dz2 -0.000164 0.002680 0.001965 0.002763 -0.000889 0.001634 33O 1dxz -0.004651 -0.003372 -0.001037 0.003445 0.008799 0.002613 33O 1dyz -0.000191 0.001347 0.002489 -0.000533 -0.001772 0.001702 33O 1dx2y2 0.004098 0.000755 -0.001400 -0.005142 -0.005952 -0.000849 33O 1dxy 0.000928 -0.001359 -0.004572 -0.001241 0.001273 -0.002237 33O 2dz2 0.004803 0.016855 0.000863 -0.005238 0.001903 -0.000951 33O 2dxz 0.021059 0.003737 -0.025705 -0.028133 -0.029324 -0.024315 33O 2dyz 0.001394 0.002648 0.008476 -0.015203 -0.002245 0.005392 33O 2dx2y2 -0.013547 0.004277 0.005159 0.014506 0.016228 0.000703 33O 2dxy 0.002008 0.002575 -0.001644 -0.014280 -0.007310 -0.000066 33O 1f0 0.000890 0.000622 -0.000717 -0.000811 -0.001199 0.000243 33O 1f+1 0.000350 0.000109 -0.000897 -0.001523 -0.001714 -0.000464 33O 1f-1 -0.000044 -0.000790 -0.001017 0.001371 0.000103 -0.000850 33O 1f+2 -0.001625 0.000294 0.001270 0.001469 0.002404 0.001589 33O 1f-2 0.000440 -0.000221 0.000022 -0.000023 -0.000723 0.000153 33O 1f+3 -0.000950 0.000038 0.000310 0.001062 0.000932 0.000312 33O 1f-3 -0.000456 0.000069 0.000134 -0.000883 -0.001011 -0.000149 34O 1s 0.005887 -0.000824 0.006505 -0.004952 -0.002393 -0.007446 34O 2s 0.012959 -0.001895 0.015363 -0.012758 -0.004495 -0.017879 34O 3s 0.011262 -0.001678 -0.014603 0.027370 -0.015343 0.029813 34O 4s -0.189589 0.011330 -0.104963 -0.028860 0.136067 0.134370 34O 5s -0.587214 0.375217 -0.286024 0.529095 -0.188059 -1.089956 34O 1pz -0.012227 0.047264 -0.057917 0.046173 -0.022860 0.004234 34O 1px -0.003926 0.002114 -0.026459 0.053160 -0.044569 0.081562 34O 1py 0.053494 0.015879 0.007468 -0.016733 0.060362 0.015185 34O 2pz -0.003225 0.104688 -0.138348 0.077059 -0.040902 0.009007 34O 2px -0.104685 0.036055 -0.055013 0.095943 -0.045810 -0.016633 34O 2py 0.123577 0.044532 -0.002581 -0.011694 0.090369 0.074343 34O 3pz 0.019990 -0.255817 0.350292 -0.197885 0.080867 0.108300 34O 3px -0.739977 0.291666 -0.299755 0.414473 0.158769 -0.606954 34O 3py -0.071106 -0.259978 0.057476 -0.197764 -0.278499 -0.212094 34O 1dz2 -0.005278 0.001210 -0.002148 0.002246 0.000888 -0.002916 34O 1dxz -0.001187 -0.000332 -0.001038 0.001939 0.000224 -0.003402 34O 1dyz 0.000158 0.000487 -0.000373 0.001938 -0.000239 -0.000370 34O 1dx2y2 0.007978 -0.002543 0.002118 -0.004035 -0.001497 0.005138 34O 1dxy -0.003104 0.001738 -0.001521 0.001973 0.002001 0.003301 34O 2dz2 0.019262 0.004863 0.000795 0.010187 -0.009741 0.033613 34O 2dxz 0.002682 -0.000100 -0.000008 -0.002104 -0.002230 0.002051 34O 2dyz -0.001985 -0.007204 -0.008146 0.012411 -0.011491 -0.011017 34O 2dx2y2 -0.023494 0.015557 -0.006193 0.017923 0.010667 -0.040858 34O 2dxy 0.011767 -0.001010 -0.006618 0.004514 -0.010871 0.021416 34O 1f0 -0.000358 0.000073 -0.000014 -0.001050 0.000570 0.000068 34O 1f+1 0.002125 -0.000446 0.000312 -0.001732 -0.000551 0.002045 34O 1f-1 -0.000553 0.000243 0.000284 0.000306 0.000322 0.000109 34O 1f+2 -0.000325 -0.000126 -0.000047 -0.001070 -0.000236 0.000890 34O 1f-2 -0.000561 -0.000229 -0.000299 -0.000069 -0.000580 0.000095 34O 1f+3 0.002292 -0.000860 0.000850 -0.000619 -0.000559 0.002382 34O 1f-3 -0.001829 0.000379 -0.000635 0.000816 -0.000051 -0.002134 35O 1s -0.003956 -0.007745 -0.008119 -0.002970 0.006005 -0.002336 35O 2s -0.008333 -0.018926 -0.020200 -0.007627 0.014432 -0.005672 35O 3s -0.010601 0.031366 0.042131 0.019957 -0.014398 0.015868 35O 4s 0.163319 0.111115 0.047128 -0.014510 -0.086753 0.043294 35O 5s -0.114174 -0.553888 -0.360669 -0.298566 -0.392152 -0.904957 35O 1pz -0.026940 0.069505 -0.001786 -0.021890 -0.067271 -0.008208 35O 1px -0.012501 0.114061 0.064732 0.048967 -0.017011 0.028838 35O 1py -0.038278 -0.020052 0.044747 0.020507 -0.055933 -0.022045 35O 2pz -0.031402 0.126153 -0.029913 -0.078447 -0.119600 -0.026748 35O 2px 0.015287 0.123688 0.006861 0.020968 -0.068913 -0.055167 35O 2py -0.049069 -0.115855 0.054713 -0.011341 -0.128306 -0.074470 35O 3pz 0.124699 -0.231213 0.046742 0.403335 0.287624 -0.065889 35O 3px 0.192409 -0.389261 -0.176470 -0.079705 -0.409061 -0.626615 35O 3py 0.222747 0.373102 -0.231788 0.149155 0.102855 -0.124638 35O 1dz2 0.002539 -0.000865 -0.000825 -0.000998 -0.003758 -0.003918 35O 1dxz -0.001801 -0.000283 -0.001007 -0.001116 0.000042 -0.001329 35O 1dyz -0.000126 0.000285 -0.001895 -0.001895 0.000516 0.000366 35O 1dx2y2 -0.002294 0.001907 0.002370 0.000155 0.005054 0.005064 35O 1dxy -0.003605 -0.001827 -0.000860 -0.000054 0.004793 0.001977 35O 2dz2 0.000586 0.017660 0.012500 0.007946 0.006149 0.036403 35O 2dxz 0.005236 -0.007162 -0.013124 -0.006391 0.002176 -0.010752 35O 2dyz 0.009219 -0.022033 -0.005458 -0.004806 0.007432 0.000911 35O 2dx2y2 0.009137 -0.017753 -0.026219 -0.012042 -0.001124 -0.022770 35O 2dxy 0.012747 -0.022592 -0.026829 -0.015319 -0.001653 -0.021829 35O 1f0 -0.000229 0.000044 0.000182 -0.000189 0.000304 0.000238 35O 1f+1 0.000000 0.000575 0.000737 0.000546 0.000904 0.001792 35O 1f-1 -0.000493 0.000572 0.000443 0.001411 0.000505 -0.000223 35O 1f+2 -0.000169 0.000048 -0.000134 -0.000421 -0.000744 -0.000896 35O 1f-2 0.000236 -0.000095 -0.000180 0.000748 0.000154 -0.001016 35O 1f+3 -0.000684 0.001319 0.000676 0.000492 0.000239 0.000640 35O 1f-3 -0.000476 0.000733 0.001458 0.000056 0.000984 0.003175 210 211 212 213 214 215 0.52140 0.53153 0.53951 0.54530 0.55520 0.56250 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s 0.000306 0.000771 -0.003118 0.000700 0.009221 -0.003612 0Rh 2s -0.001029 -0.003750 0.010277 -0.001046 -0.031006 0.014035 0Rh 3s 0.001146 0.002174 -0.011821 0.003432 0.034581 -0.012381 0Rh 4s 0.004551 0.017184 -0.045374 0.003944 0.137357 -0.063278 0Rh 5s -0.002647 -0.021642 0.024139 0.010994 -0.079187 0.057377 0Rh 6s -0.013119 -0.001687 0.141258 -0.065903 -0.406342 0.096611 0Rh 7s 0.055583 -0.172576 -0.602862 0.232163 1.448552 0.127133 0Rh 8s 0.089308 0.580841 -0.499473 0.492339 3.096032 -0.684059 0Rh 1pz -0.001466 0.003118 0.001555 -0.002917 -0.005708 0.002015 0Rh 1px -0.000058 0.000953 -0.001904 0.000973 0.012299 -0.007276 0Rh 1py -0.000544 -0.000679 -0.003814 -0.005662 0.004041 -0.002966 0Rh 2pz 0.005163 -0.009803 -0.005584 0.009894 0.019911 -0.007228 0Rh 2px 0.000120 -0.003191 0.006856 -0.003028 -0.043087 0.025348 0Rh 2py 0.002189 0.002199 0.012451 0.019688 -0.014422 0.010261 0Rh 3pz -0.006671 -0.009686 0.009280 -0.005287 -0.021623 0.011867 0Rh 3px 0.001427 0.000880 -0.011569 -0.003805 0.050264 -0.027168 0Rh 3py -0.007991 0.000859 0.002623 -0.019981 0.021907 -0.009590 0Rh 4pz 0.000989 0.084660 -0.009238 -0.029651 -0.014605 -0.011916 0Rh 4px -0.006097 0.012646 0.011113 0.031084 0.018199 -0.017655 0Rh 4py 0.020309 -0.014449 -0.070505 -0.022677 -0.014013 -0.012786 0Rh 5pz -0.021247 -0.125527 0.035187 0.046863 -0.025250 0.053964 0Rh 5px 0.010945 -0.013459 -0.044039 -0.069111 0.085984 -0.053666 0Rh 5py -0.042144 0.023690 0.090456 0.031364 0.073600 -0.009917 0Rh 6pz 0.354206 0.168581 -0.011782 -0.512884 0.644740 -0.447014 0Rh 6px -0.032154 -0.203906 0.817060 0.617400 -1.999875 1.057083 0Rh 6py -0.039701 0.006788 0.132422 -1.445462 -1.098260 0.426309 0Rh 1dz2 0.001867 -0.015722 0.002978 0.003636 0.015746 0.008855 0Rh 1dxz -0.001706 0.029270 -0.012860 -0.003343 0.015764 0.005032 0Rh 1dyz 0.013871 0.005446 0.009605 -0.000940 0.005890 0.002872 0Rh 1dx2y2 -0.004790 0.012937 0.015357 0.010592 -0.026312 -0.012149 0Rh 1dxy 0.012864 -0.000106 -0.024439 -0.004891 -0.016955 -0.005355 0Rh 2dz2 -0.000182 0.001848 -0.000416 -0.000461 -0.001189 -0.000363 0Rh 2dxz 0.000054 -0.002924 0.000788 0.000279 -0.000981 -0.000939 0Rh 2dyz -0.001226 -0.000426 -0.001720 0.000601 -0.000526 -0.000399 0Rh 2dx2y2 0.000255 -0.001671 -0.001495 -0.001649 0.001116 0.001688 0Rh 2dxy -0.001204 -0.000192 0.002595 -0.001660 0.001231 0.000572 0Rh 3dz2 -0.002742 0.022134 -0.003884 -0.005121 -0.025061 -0.015262 0Rh 3dxz 0.002996 -0.043560 0.021197 0.005233 -0.026023 -0.005605 0Rh 3dyz -0.021159 -0.008586 -0.011077 -0.000726 -0.009027 -0.003755 0Rh 3dx2y2 0.008017 -0.017580 -0.022993 -0.013351 0.045435 0.016016 0Rh 3dxy -0.019386 0.000978 0.035814 0.016405 0.027310 0.007821 0Rh 4dz2 -0.003867 0.043406 -0.009930 -0.009149 -0.033713 -0.015915 0Rh 4dxz 0.002999 -0.072030 0.025520 0.006566 -0.030305 -0.018447 0Rh 4dyz -0.030107 -0.011655 -0.034986 0.009487 -0.014084 -0.009560 0Rh 4dx2y2 0.009283 -0.037891 -0.037444 -0.032894 0.044970 0.036577 0Rh 4dxy -0.030064 -0.002177 0.062430 -0.019721 0.034761 0.013597 0Rh 5dz2 -0.013025 -0.047241 0.033398 -0.009165 0.006118 0.007971 0Rh 5dxz -0.002661 0.019108 0.004010 0.015654 -0.016515 0.043699 0Rh 5dyz -0.037146 -0.008353 0.095234 -0.044741 0.018125 0.036633 0Rh 5dx2y2 0.002035 0.056833 0.020872 0.032032 0.044599 -0.063904 0Rh 5dxy -0.008057 0.011941 -0.025785 0.184385 0.022922 -0.014746 0Rh 1f0 -0.002923 0.005521 0.003392 -0.004157 0.009515 0.007370 0Rh 1f+1 0.002490 0.005624 0.004072 0.002206 -0.003468 -0.002975 0Rh 1f-1 -0.005583 -0.003477 0.005815 -0.006964 -0.000728 0.004066 0Rh 1f+2 -0.003805 0.001019 0.003928 -0.004502 -0.006441 -0.009227 0Rh 1f-2 0.004275 -0.001683 -0.002130 0.003624 -0.004998 -0.008604 0Rh 1f+3 -0.001092 -0.001780 0.006370 -0.000749 -0.009010 -0.007240 0Rh 1f-3 -0.001154 0.003089 -0.000357 0.002183 -0.008940 0.001131 1Rh 1s -0.000361 -0.000752 0.003161 0.000901 -0.009187 -0.003535 1Rh 2s 0.001206 0.003718 -0.010481 -0.001742 0.030908 0.013770 1Rh 3s -0.001359 -0.002084 0.011944 0.004174 -0.034442 -0.012093 1Rh 4s -0.005329 -0.017058 0.046311 0.007037 -0.136931 -0.062101 1Rh 5s 0.003016 0.021898 -0.025310 0.009007 0.079093 0.056657 1Rh 6s 0.015672 -0.000057 -0.141370 -0.074140 0.404533 0.093277 1Rh 7s -0.063914 0.182016 0.594426 0.260193 -1.447491 0.140154 1Rh 8s -0.087873 -0.582199 0.502112 0.547602 -3.075400 -0.659661 1Rh 1pz -0.001509 0.003025 0.001451 0.003136 -0.005447 -0.002047 1Rh 1px -0.000006 0.000906 -0.002031 -0.001134 0.012294 0.007202 1Rh 1py -0.000477 -0.000629 -0.003964 0.005539 0.004050 0.002986 1Rh 2pz 0.005312 -0.009484 -0.005236 -0.010680 0.019011 0.007341 1Rh 2px -0.000064 -0.003036 0.007307 0.003599 -0.043075 -0.025081 1Rh 2py 0.001954 0.002025 0.012975 -0.019269 -0.014452 -0.010340 1Rh 3pz -0.006797 -0.009921 0.009157 0.006551 -0.020864 -0.012005 1Rh 3px 0.001731 0.000817 -0.012185 0.003048 0.050313 0.026757 1Rh 3py -0.007705 0.001034 0.002032 0.019698 0.021882 0.009869 1Rh 4pz 0.000730 0.083976 -0.010558 0.028595 -0.013019 0.011882 1Rh 4px -0.006409 0.012104 0.011302 -0.030995 0.017965 0.017957 1Rh 4py 0.020378 -0.014247 -0.070812 0.021735 -0.013689 0.012069 1Rh 5pz -0.021076 -0.124736 0.037741 -0.042335 -0.027204 -0.054357 1Rh 5px 0.012415 -0.012574 -0.045914 0.067402 0.086265 0.052052 1Rh 5py -0.041900 0.023476 0.089951 -0.031163 0.072299 0.011803 1Rh 6pz 0.352980 0.157936 -0.049110 0.458855 0.693210 0.471778 1Rh 6px -0.047855 -0.214286 0.834339 -0.583843 -1.990345 -1.023075 1Rh 6py -0.031673 0.014696 0.126059 1.474076 -1.070066 -0.449310 1Rh 1dz2 -0.001928 0.015444 -0.001971 0.003442 -0.015489 0.008645 1Rh 1dxz 0.001729 -0.029378 0.013278 -0.002286 -0.015870 0.005339 1Rh 1dyz -0.013789 -0.005413 -0.010219 -0.000931 -0.005841 0.002884 1Rh 1dx2y2 0.004471 -0.012951 -0.014496 0.010097 0.026663 -0.012288 1Rh 1dxy -0.012927 0.000081 0.024594 -0.004549 0.016875 -0.005225 1Rh 2dz2 0.000185 -0.001821 0.000255 -0.000415 0.001164 -0.000350 1Rh 2dxz -0.000048 0.002971 -0.000830 0.000184 0.000947 -0.000967 1Rh 2dyz 0.001230 0.000442 0.001794 0.000613 0.000515 -0.000381 1Rh 2dx2y2 -0.000213 0.001692 0.001374 -0.001644 -0.001197 0.001708 1Rh 2dxy 0.001208 0.000180 -0.002573 -0.001708 -0.001266 0.000557 1Rh 3dz2 0.002849 -0.021718 0.002631 -0.004943 0.024674 -0.014918 1Rh 3dxz -0.003064 0.043570 -0.021828 0.003610 0.026370 -0.006077 1Rh 3dyz 0.020988 0.008457 0.011940 -0.000794 0.008988 -0.003856 1Rh 3dx2y2 -0.007589 0.017521 0.021855 -0.012430 -0.045773 0.016201 1Rh 3dxy 0.019490 -0.000878 -0.036202 0.015951 -0.027008 0.007634 1Rh 4dz2 0.003967 -0.042753 0.006695 -0.008288 0.033132 -0.015482 1Rh 4dxz -0.002927 0.072773 -0.026472 0.004144 0.029923 -0.019194 1Rh 4dyz 0.030078 0.011860 0.036661 0.009673 0.013768 -0.009304 1Rh 4dx2y2 -0.008362 0.038216 0.034910 -0.032273 -0.046478 0.037015 1Rh 4dxy 0.030155 0.002034 -0.062262 -0.020764 -0.035239 0.013268 1Rh 5dz2 0.013122 0.047158 -0.029220 -0.011371 -0.006362 0.007463 1Rh 5dxz 0.001950 -0.021256 -0.004949 0.015505 0.020132 0.044623 1Rh 5dyz 0.035993 0.006298 -0.096743 -0.046695 -0.015273 0.034620 1Rh 5dx2y2 -0.003016 -0.058689 -0.018180 0.033984 -0.040638 -0.064563 1Rh 5dxy 0.008656 -0.011209 0.022885 0.185739 -0.018280 -0.015176 1Rh 1f0 -0.002958 0.005643 0.003391 0.003959 0.009351 -0.007286 1Rh 1f+1 0.002522 0.005687 0.004063 -0.002286 -0.003550 0.003189 1Rh 1f-1 -0.005448 -0.003434 0.005765 0.007193 -0.000595 -0.004024 1Rh 1f+2 -0.003769 0.001022 0.003766 0.004644 -0.006563 0.009292 1Rh 1f-2 0.004230 -0.001813 -0.002231 -0.003521 -0.005003 0.008556 1Rh 1f+3 -0.001003 -0.001709 0.006167 0.000967 -0.008999 0.007407 1Rh 1f-3 -0.001076 0.003117 -0.000339 -0.002122 -0.009151 -0.001051 2C 1s -0.004992 -0.007373 0.000656 -0.000042 0.002341 -0.010563 2C 2s -0.012140 -0.020138 0.003941 0.000188 0.006517 -0.026649 2C 3s 0.011810 0.088450 -0.068665 0.022709 -0.029526 0.031423 2C 4s 0.048649 -0.569023 0.722774 -0.129620 0.173962 -0.117111 2C 5s 2.153870 7.038385 -6.465399 -1.470986 -2.180262 10.193335 2C 1pz 0.035202 -0.037774 0.048799 -0.017901 0.030144 -0.053486 2C 1px -0.140475 -0.000425 -0.019878 0.048620 -0.074714 0.046093 2C 1py -0.029392 -0.030964 0.010629 0.020223 -0.001783 -0.024703 2C 2pz 0.103011 -0.280962 0.312313 -0.141548 0.155904 -0.209364 2C 2px -0.516654 -0.028028 -0.069029 0.180593 -0.252358 0.155247 2C 2py -0.109327 -0.250190 0.121822 0.015449 0.042891 -0.098725 2C 3pz 0.259739 1.686205 -1.368321 -0.314517 -0.785957 2.792326 2C 3px 1.153284 0.770001 -0.711880 -0.475738 0.594500 0.700730 2C 3py 0.618634 0.887294 -0.880814 -0.649945 -0.287315 1.735932 2C 1dz2 -0.000734 0.001676 -0.002000 -0.000173 -0.000244 0.005197 2C 1dxz 0.002375 0.002868 -0.001651 -0.002182 -0.000685 0.004232 2C 1dyz 0.001521 0.000579 0.000020 -0.001230 0.000035 0.004134 2C 1dx2y2 0.001386 -0.002825 0.003036 0.001335 0.002366 -0.005230 2C 1dxy 0.001921 -0.000097 0.002823 -0.003303 0.000185 0.000307 2C 2dz2 -0.048184 -0.070281 -0.044731 -0.018477 -0.033051 0.003483 2C 2dxz 0.060897 -0.102669 0.091569 -0.016385 0.086393 -0.085738 2C 2dyz -0.011438 0.013687 0.020472 -0.039310 0.022041 0.004680 2C 2dx2y2 0.039283 0.012269 -0.080451 -0.004701 0.030821 0.042438 2C 2dxy 0.052146 -0.031669 0.009756 0.035959 0.056069 -0.033518 2C 1f0 -0.005634 0.002912 -0.003930 -0.002347 -0.004899 0.007646 2C 1f+1 -0.002143 -0.002080 0.003917 0.000942 -0.000168 -0.001733 2C 1f-1 0.004625 -0.002529 0.003987 -0.006537 0.002745 0.001764 2C 1f+2 0.002512 -0.004041 0.001890 0.002013 0.004363 -0.009889 2C 1f-2 0.006621 0.000430 0.001316 -0.000395 0.002188 0.005523 2C 1f+3 -0.004343 -0.009537 0.002212 0.002707 0.002673 -0.010292 2C 1f-3 -0.007503 -0.000258 -0.000220 0.001375 -0.003647 -0.000087 3C 1s 0.002743 -0.006782 -0.007489 -0.010743 -0.003955 -0.003944 3C 2s 0.007168 -0.018636 -0.020260 -0.026527 -0.010137 -0.009135 3C 3s -0.021056 0.084493 0.091275 0.047471 0.019246 -0.006583 3C 4s 0.152081 -0.590008 -0.527246 -0.013266 -0.014172 0.064132 3C 5s -2.319450 6.915932 5.776691 2.819437 2.360641 3.837287 3C 1pz -0.040616 -0.028534 -0.044266 -0.007456 0.016512 -0.002513 3C 1px 0.146700 0.002344 0.032737 -0.025146 -0.062049 0.002279 3C 1py 0.010201 0.050669 0.034678 0.011058 -0.013719 0.029694 3C 2pz -0.115022 -0.204807 -0.305327 -0.107226 0.045995 -0.009150 3C 2px 0.537828 -0.051394 0.053061 -0.200080 -0.237156 0.013559 3C 2py -0.008629 0.349522 0.281154 0.133549 -0.028801 0.078641 3C 3pz 0.192272 0.790826 0.638998 0.405367 0.169198 0.257310 3C 3px -1.265996 0.869480 0.384596 0.126883 0.782126 0.499922 3C 3py 0.383570 -1.719182 -1.489160 -0.911094 -0.475886 -1.284252 3C 1dz2 0.000925 0.001390 0.000450 -0.000082 -0.000563 0.000019 3C 1dxz 0.000127 0.001735 0.001861 0.000292 -0.001199 0.001139 3C 1dyz -0.000727 0.000940 0.000233 0.000665 -0.001313 -0.001507 3C 1dx2y2 -0.000508 -0.004213 -0.002811 0.000335 -0.000032 -0.003202 3C 1dxy 0.003305 -0.001754 -0.000437 -0.004354 -0.001196 -0.001988 3C 2dz2 0.023949 -0.042117 0.082107 0.022002 0.005782 -0.008937 3C 2dxz 0.000305 -0.077342 -0.040321 0.020109 0.010216 -0.010903 3C 2dyz -0.035417 0.005679 -0.044440 0.044589 0.012750 -0.017398 3C 2dx2y2 -0.069870 0.017812 0.044459 0.039695 0.058804 0.013475 3C 2dxy 0.068194 0.084256 0.105589 0.078339 -0.056421 0.026415 3C 1f0 -0.000933 0.004276 0.008059 0.005679 0.002298 0.000751 3C 1f+1 0.006583 0.001888 0.004667 0.000402 -0.002382 0.000533 3C 1f-1 -0.001153 0.003396 0.002367 0.003227 0.001148 0.002643 3C 1f+2 0.004328 -0.006010 -0.003734 -0.009748 -0.004199 -0.005072 3C 1f-2 -0.001891 -0.001774 -0.002182 -0.001339 -0.000972 -0.002685 3C 1f+3 -0.003436 -0.006638 -0.004513 -0.003054 0.002627 -0.001328 3C 1f-3 -0.009605 0.000615 -0.003143 0.001269 0.004433 0.000465 4C 1s -0.001970 -0.003371 0.009418 0.000688 0.000516 0.003713 4C 2s -0.004146 -0.005601 0.019858 0.001704 0.000747 0.008724 4C 3s -0.011883 -0.054694 -0.031882 -0.027631 0.000828 0.060372 4C 4s 0.201872 0.684748 -0.351906 0.001248 -0.108182 -0.217225 4C 5s -1.779853 -5.185067 5.437316 1.340424 1.469201 -7.676911 4C 1pz -0.056273 0.004151 0.031600 0.031291 -0.013966 -0.015061 4C 1px 0.172164 0.010856 0.042797 -0.025181 0.088102 -0.094575 4C 1py 0.046092 -0.056516 -0.026830 0.007816 -0.000196 -0.038795 4C 2pz -0.046092 -0.061778 0.258690 -0.107994 0.177935 -0.325469 4C 2px 0.077686 -0.049900 -0.090610 0.395403 -0.261426 -0.003269 4C 2py 0.027398 -0.227235 0.047440 0.071282 0.007322 -0.238420 4C 3pz 1.261952 2.288440 -2.169918 -0.982332 -0.486949 4.890597 4C 3px -0.177608 0.089642 -0.090893 -0.315985 -1.532204 1.160338 4C 3py 0.462018 2.054840 -0.912858 -0.594316 -0.721462 3.359038 4C 1dz2 0.007169 -0.001948 0.006597 -0.005248 0.006877 -0.000546 4C 1dxz -0.007696 -0.001658 -0.002106 0.002517 -0.012849 0.009172 4C 1dyz 0.002378 0.002829 -0.000931 -0.005641 -0.001017 0.007622 4C 1dx2y2 -0.001931 0.003741 -0.004629 0.001606 -0.000858 -0.002922 4C 1dxy -0.006144 0.003717 -0.006481 0.006341 -0.009738 0.004810 4C 2dz2 0.074698 0.161272 -0.135221 -0.103719 0.038051 0.067216 4C 2dxz -0.127253 0.029300 -0.149466 0.222459 -0.180999 0.139280 4C 2dyz 0.024106 0.112401 -0.113353 0.066095 0.017624 -0.024485 4C 2dx2y2 -0.001320 -0.060269 0.167093 0.011674 0.009369 -0.132722 4C 2dxy -0.083106 -0.056398 -0.003438 0.139852 -0.112207 -0.028764 4C 1f0 -0.000305 0.001481 -0.001967 -0.002994 0.000488 0.008749 4C 1f+1 -0.002346 0.002276 -0.007280 -0.001820 -0.004708 0.017101 4C 1f-1 0.002376 -0.001644 0.003900 -0.007708 0.005658 0.001138 4C 1f+2 0.006402 0.005071 0.008942 -0.004447 0.005971 -0.015989 4C 1f-2 -0.006111 -0.001191 -0.001637 0.005311 -0.008852 0.003856 4C 1f+3 0.005756 0.000664 0.004486 -0.011942 0.005305 -0.003823 4C 1f-3 0.006233 0.004644 -0.004229 -0.014541 0.005016 0.012585 5C 1s 0.003121 -0.009149 -0.001826 -0.004078 0.001666 0.009345 5C 2s 0.006688 -0.018833 -0.001913 -0.009710 0.004219 0.021800 5C 3s -0.004259 -0.011264 -0.088755 0.070362 -0.037010 -0.022430 5C 4s -0.137064 0.659237 0.822526 -0.249033 0.216238 -0.161543 5C 5s 2.051368 -5.823678 -4.069453 -2.818355 -1.205033 -2.909332 5C 1pz 0.062161 0.046884 -0.039833 0.020530 -0.038943 -0.030257 5C 1px -0.170885 -0.001949 -0.031014 0.037620 0.075817 -0.043138 5C 1py -0.021022 0.040404 -0.009832 -0.049879 0.008632 0.044794 5C 2pz 0.065274 -0.059927 -0.253682 -0.033092 0.029623 -0.095713 5C 2px -0.058139 0.009331 0.189652 -0.373243 -0.257014 -0.072134 5C 2py -0.033393 0.205829 0.076703 0.091242 -0.055369 0.124575 5C 3pz -0.660396 1.054061 1.453505 0.477521 1.113340 1.436728 5C 3px 0.138543 0.529891 1.013463 0.752536 -0.698919 0.739671 5C 3py 0.663745 -2.494286 -1.694299 -0.756307 -1.432657 -2.058038 5C 1dz2 -0.003109 -0.003382 -0.005957 0.003487 0.003298 -0.002545 5C 1dxz 0.003974 -0.000872 0.001210 0.006671 -0.003152 -0.000981 5C 1dyz 0.004948 -0.002470 -0.000522 -0.003004 -0.006855 -0.001494 5C 1dx2y2 0.004350 0.007046 0.010293 -0.008068 -0.009091 0.004474 5C 1dxy -0.009222 -0.003231 -0.008243 0.002766 0.008380 -0.000503 5C 2dz2 -0.056437 0.004489 -0.078994 0.101293 0.036673 0.034931 5C 2dxz 0.035741 0.110228 0.072381 -0.083036 -0.134778 0.037554 5C 2dyz 0.092697 -0.090747 -0.040098 -0.050086 -0.070039 0.022397 5C 2dx2y2 0.123392 -0.183707 -0.074377 -0.219662 -0.067177 -0.064886 5C 2dxy -0.067218 -0.080223 -0.132912 0.099075 0.153683 -0.034377 5C 1f0 0.003912 0.004985 0.005712 0.000467 -0.005548 0.004086 5C 1f+1 -0.007033 0.003524 -0.004381 0.011021 0.004172 0.003469 5C 1f-1 0.002877 -0.000407 0.006834 -0.004341 -0.002991 -0.000383 5C 1f+2 -0.002574 0.002873 0.001154 0.002164 0.000194 -0.000780 5C 1f-2 -0.007328 -0.002665 -0.002267 0.008077 0.013166 -0.003824 5C 1f+3 -0.003349 0.000972 -0.004799 0.013590 0.000393 0.005270 5C 1f-3 0.003522 -0.002256 0.004383 -0.008672 -0.001713 -0.005433 6C 1s -0.003082 0.008963 0.001710 -0.003988 -0.001639 0.009312 6C 2s -0.006607 0.018418 0.001651 -0.009494 -0.004166 0.021679 6C 3s 0.005581 0.011921 0.087744 0.068226 0.037259 -0.018017 6C 4s 0.127092 -0.653240 -0.809233 -0.237349 -0.223280 -0.195296 6C 5s -2.112899 5.742719 4.127383 -2.828963 1.259370 -2.847367 6C 1pz 0.062862 0.046903 -0.038737 -0.021515 -0.039202 0.030121 6C 1px -0.172197 -0.004524 -0.030688 -0.040039 0.074163 0.043599 6C 1py -0.021932 0.040947 -0.009114 0.048025 0.009660 -0.044168 6C 2pz 0.066665 -0.059005 -0.254214 0.027251 0.030907 0.093797 6C 2px -0.055434 0.015067 0.183327 0.379714 -0.258142 0.076079 6C 2py -0.035508 0.205278 0.080762 -0.089850 -0.055050 -0.125969 6C 3pz -0.680666 1.030067 1.460566 -0.502881 1.151763 -1.398647 6C 3px 0.126752 0.517835 1.018871 -0.744195 -0.680413 -0.698773 6C 3py 0.702673 -2.457559 -1.728953 0.820038 -1.495312 1.983339 6C 1dz2 0.003161 0.003516 0.006033 0.003579 -0.003255 -0.002415 6C 1dxz -0.003940 0.000858 -0.001283 0.006637 0.003295 -0.001018 6C 1dyz -0.005053 0.002361 0.000471 -0.003255 0.006810 -0.001336 6C 1dx2y2 -0.004543 -0.007218 -0.010143 -0.008407 0.008980 0.004407 6C 1dxy 0.009221 0.003354 0.008157 0.002945 -0.008154 -0.000322 6C 2dz2 0.057947 -0.003113 0.073908 0.101389 -0.036720 0.038751 6C 2dxz -0.036858 -0.110752 -0.073126 -0.088756 0.131977 0.040203 6C 2dyz -0.092027 0.088015 0.041562 -0.051032 0.072330 0.022737 6C 2dx2y2 -0.124893 0.179151 0.076762 -0.218404 0.066235 -0.067720 6C 2dxy 0.070441 0.082361 0.132476 0.105422 -0.155646 -0.035207 6C 1f0 0.003955 0.005053 0.005830 -0.000185 -0.005705 -0.004172 6C 1f+1 -0.007260 0.003254 -0.004118 -0.011055 0.004272 -0.003717 6C 1f-1 0.002936 -0.000353 0.006670 0.004491 -0.002982 0.000518 6C 1f+2 -0.002542 0.002811 0.001147 -0.002231 0.000226 0.000879 6C 1f-2 -0.007341 -0.002848 -0.002256 -0.008546 0.013006 0.004110 6C 1f+3 -0.003584 0.000844 -0.004495 -0.013525 0.000303 -0.005613 6C 1f-3 0.003726 -0.002107 0.004199 0.008525 -0.001760 0.005856 7C 1s 0.002008 0.003474 -0.009430 0.000583 -0.000642 0.003593 7C 2s 0.004233 0.005825 -0.019892 0.001551 -0.001021 0.008451 7C 3s 0.012053 0.053462 0.031285 -0.030553 -0.000502 0.062749 7C 4s -0.202453 -0.682625 0.352845 0.030376 0.111458 -0.227794 7C 5s 1.745713 5.228462 -5.326697 1.164148 -1.488476 -7.717300 7C 1pz -0.054852 0.003962 0.032929 -0.030172 -0.014829 0.015362 7C 1px 0.170828 0.009447 0.040774 0.024704 0.089699 0.095256 7C 1py 0.046988 -0.056917 -0.028580 -0.006772 -0.000254 0.038190 7C 2pz -0.044664 -0.063398 0.252070 0.111651 0.183579 0.329328 7C 2px 0.077342 -0.048943 -0.083195 -0.395775 -0.275298 0.003785 7C 2py 0.029030 -0.225589 0.043627 -0.068701 0.005199 0.239964 7C 3pz 1.235869 2.311038 -2.104115 0.869053 -0.501740 -4.886920 7C 3px -0.177473 0.089699 -0.080115 0.318508 -1.521050 -1.143140 7C 3py 0.443280 2.069897 -0.853644 0.527945 -0.731392 -3.360084 7C 1dz2 -0.007078 0.001877 -0.006346 -0.005264 -0.007003 -0.000586 7C 1dxz 0.007522 0.001471 0.001939 0.002449 0.013021 0.009216 7C 1dyz -0.002338 -0.002907 0.000743 -0.005493 0.000913 0.007483 7C 1dx2y2 0.001917 -0.003797 0.004723 0.001727 0.000910 -0.002858 7C 1dxy 0.006203 -0.003780 0.006399 0.006494 0.009928 0.004875 7C 2dz2 -0.075529 -0.158229 0.133617 -0.100697 -0.042232 0.070810 7C 2dxz 0.127343 -0.029320 0.140445 0.220777 0.189479 0.142095 7C 2dyz -0.024852 -0.111773 0.114697 0.069794 -0.014793 -0.022822 7C 2dx2y2 0.002642 0.062039 -0.167991 0.009124 -0.011119 -0.136450 7C 2dxy 0.081233 0.055657 -0.000079 0.138968 0.118360 -0.030683 7C 1f0 -0.000343 0.001578 -0.001830 0.003014 0.000401 -0.008900 7C 1f+1 -0.002362 0.002390 -0.007031 0.001925 -0.004694 -0.017311 7C 1f-1 0.002327 -0.001595 0.003748 0.007808 0.005904 -0.001182 7C 1f+2 0.006399 0.004838 0.008596 0.004334 0.006396 0.016220 7C 1f-2 -0.006092 -0.001072 -0.001388 -0.005242 -0.009187 -0.003912 7C 1f+3 0.005736 0.000705 0.004212 0.011890 0.005591 0.003871 7C 1f-3 0.006185 0.004656 -0.004371 0.014564 0.005411 -0.012879 8C 1s -0.002827 0.006486 0.007707 -0.010836 0.003837 -0.003748 8C 2s -0.007347 0.017916 0.020755 -0.026753 0.009860 -0.008605 8C 3s 0.020110 -0.083442 -0.091171 0.047212 -0.018728 -0.008423 8C 4s -0.142566 0.590353 0.521363 -0.006555 0.018279 0.070208 8C 5s 2.364822 -6.825531 -5.826629 2.875898 -2.466699 3.691668 8C 1pz -0.040920 -0.028320 -0.044731 0.006982 0.016311 0.001774 8C 1px 0.148200 0.004121 0.032400 0.026654 -0.061300 -0.001738 8C 1py 0.010531 0.050204 0.035307 -0.010116 -0.013403 -0.029866 8C 2pz -0.118103 -0.202441 -0.305070 0.104180 0.047475 0.005174 8C 2px 0.542698 -0.043334 0.051018 0.205329 -0.232963 -0.013251 8C 2py -0.005179 0.344856 0.285554 -0.128992 -0.028596 -0.076633 8C 3pz 0.184127 0.781945 0.650789 -0.417699 0.178863 -0.228211 8C 3px -1.289042 0.855473 0.395565 -0.148709 0.801641 -0.499060 8C 3py 0.400572 -1.689561 -1.507097 0.923205 -0.498024 1.246667 8C 1dz2 -0.000986 -0.001435 -0.000437 -0.000080 0.000635 0.000038 8C 1dxz -0.000095 -0.001715 -0.001858 0.000276 0.001090 0.001099 8C 1dyz 0.000666 -0.000918 -0.000264 0.000618 0.001327 -0.001483 8C 1dx2y2 0.000526 0.004160 0.002886 0.000356 0.000113 -0.003179 8C 1dxy -0.003375 0.001682 0.000561 -0.004431 0.001165 -0.001957 8C 2dz2 -0.024438 0.042272 -0.079828 0.021150 -0.004996 -0.010691 8C 2dxz 0.000020 0.076698 0.040704 0.019978 -0.007748 -0.010697 8C 2dyz 0.034760 -0.004323 0.043787 0.045517 -0.010772 -0.017460 8C 2dx2y2 0.069969 -0.015802 -0.044870 0.039406 -0.057242 0.013297 8C 2dxy -0.068430 -0.083985 -0.107925 0.076693 0.055451 0.025043 8C 1f0 -0.000770 0.004194 0.008247 -0.005713 0.002182 -0.000614 8C 1f+1 0.006712 0.001796 0.004572 -0.000162 -0.002400 -0.000378 8C 1f-1 -0.001208 0.003251 0.002256 -0.003214 0.001095 -0.002541 8C 1f+2 0.004520 -0.005701 -0.003927 0.009868 -0.004214 0.004910 8C 1f-2 -0.001751 -0.001790 -0.002354 0.001535 -0.001042 0.002661 8C 1f+3 -0.003315 -0.006650 -0.004587 0.003077 0.002431 0.001325 8C 1f-3 -0.009690 0.000350 -0.003102 -0.001292 0.004313 -0.000467 9C 1s 0.005188 0.007211 -0.000449 -0.000137 -0.002246 -0.010522 9C 2s 0.012578 0.019758 -0.003426 -0.000135 -0.006304 -0.026545 9C 3s -0.012106 -0.087620 0.067661 0.025533 0.030355 0.031467 9C 4s -0.053369 0.569353 -0.719983 -0.152384 -0.185687 -0.122644 9C 5s -2.103874 -7.078161 6.316044 -1.201844 2.233657 10.215076 9C 1pz 0.034427 -0.037429 0.046895 0.019004 0.030490 0.053789 9C 1px -0.139269 0.000364 -0.017442 -0.047624 -0.076429 -0.046233 9C 1py -0.029458 -0.030881 0.011213 -0.020614 -0.002169 0.025239 9C 2pz 0.098264 -0.277598 0.305525 0.149182 0.159937 0.211894 9C 2px -0.513165 -0.024036 -0.059812 -0.177535 -0.259982 -0.156458 9C 2py -0.110829 -0.246628 0.120498 -0.013577 0.041571 0.101303 9C 3pz 0.247198 1.685048 -1.308005 0.253179 -0.787573 -2.777046 9C 3px 1.138816 0.772838 -0.714238 0.433073 0.598254 -0.709782 9C 3py 0.617711 0.915770 -0.883311 0.621975 -0.288206 -1.765327 9C 1dz2 0.000761 -0.001683 0.001883 -0.000080 0.000305 0.005105 9C 1dxz -0.002310 -0.002838 0.001658 -0.002091 0.000650 0.004196 9C 1dyz -0.001482 -0.000613 -0.000044 -0.001203 -0.000065 0.004191 9C 1dx2y2 -0.001339 0.002907 -0.002907 0.001300 -0.002389 -0.005332 9C 1dxy -0.002019 0.000059 -0.002818 -0.003347 -0.000329 0.000262 9C 2dz2 0.047517 0.068288 0.047294 -0.017290 0.032908 0.003193 9C 2dxz -0.059330 0.102565 -0.091150 -0.018876 -0.085706 -0.087269 9C 2dyz 0.012914 -0.014517 -0.021036 -0.039705 -0.022065 0.005475 9C 2dx2y2 -0.039078 -0.012976 0.079953 -0.002972 -0.029091 0.043414 9C 2dxy -0.052080 0.032570 -0.007592 0.036169 -0.056833 -0.034765 9C 1f0 -0.005434 0.002926 -0.003704 0.002212 -0.004753 -0.007608 9C 1f+1 -0.002410 -0.001990 0.003857 -0.000857 -0.000391 0.001579 9C 1f-1 0.004437 -0.002469 0.003892 0.006608 0.002909 -0.001679 9C 1f+2 0.002172 -0.004183 0.001867 -0.002044 0.004272 0.010158 9C 1f-2 0.006706 0.000225 0.001596 0.000432 0.002350 -0.005171 9C 1f+3 -0.004086 -0.009391 0.002131 -0.002498 0.002692 0.010263 9C 1f-3 -0.007736 -0.000523 -0.000224 -0.001444 -0.003691 0.000422 10H 1s 0.012893 -0.030038 0.023993 -0.001896 0.021084 -0.047964 10H 2s 0.298659 -0.615845 0.547680 -0.069392 0.464850 -0.910612 10H 3s -1.126250 -0.649368 0.732169 0.311990 -0.560458 -0.253378 10H 1pz 0.007633 -0.010409 0.012148 -0.000800 0.012389 -0.016855 10H 1px -0.014194 0.013154 -0.012384 -0.000529 -0.013733 0.023778 10H 1py 0.001465 -0.011042 0.004407 -0.001995 0.005811 -0.007049 11H 1s -0.015842 -0.023218 0.008777 -0.000961 0.001888 -0.018424 11H 2s -0.366526 -0.327318 0.220734 0.076563 -0.004776 -0.394635 11H 3s 0.398575 -0.221619 0.188912 -0.009012 0.330012 -0.214534 11H 1pz -0.009259 0.001243 0.010191 0.007694 0.001128 -0.017618 11H 1px -0.016194 0.007867 -0.008038 0.002508 -0.011020 0.004230 11H 1py -0.002276 -0.001028 0.010086 -0.002151 0.000812 -0.005366 12H 1s -0.023277 -0.021733 0.018816 -0.001169 -0.001986 -0.021758 12H 2s -0.484661 -0.483652 0.184315 0.093510 -0.034948 -0.423331 12H 3s 0.676448 -0.355054 0.524509 -0.502928 0.496831 -0.379229 12H 1pz 0.002156 -0.012210 -0.001940 0.008738 0.003315 -0.011561 12H 1px -0.014589 0.002318 -0.013307 0.003299 -0.010073 0.006958 12H 1py -0.013435 -0.015473 -0.005264 0.005368 -0.000815 -0.012212 13H 1s -0.009961 -0.033052 -0.030243 -0.021030 0.007318 -0.016561 13H 2s -0.276640 -0.643311 -0.710968 -0.325406 0.106049 -0.282439 13H 3s 1.313507 -0.541184 -0.159028 0.090573 -0.584679 -0.237888 13H 1pz -0.007618 -0.013288 -0.023284 -0.010424 0.002111 -0.007362 13H 1px 0.012719 0.009325 0.008782 -0.001676 -0.008592 0.005107 13H 1py 0.007775 0.009320 0.015387 0.001147 -0.000469 0.001369 14H 1s 0.027402 -0.028769 -0.019094 -0.022127 -0.014935 -0.011330 14H 2s 0.539736 -0.403326 -0.342976 -0.492692 -0.363313 -0.175120 14H 3s -0.646550 -0.408739 -0.483452 -0.146545 0.299263 -0.208939 14H 1pz 0.005018 -0.006396 -0.012708 -0.010837 -0.005623 -0.006017 14H 1px 0.019130 0.003641 0.002194 -0.018213 -0.015699 -0.001821 14H 1py -0.001294 -0.002867 0.005269 0.002951 0.003000 0.000513 15H 1s 0.012087 -0.013615 -0.019431 -0.014759 -0.010556 -0.008977 15H 2s 0.278230 -0.386526 -0.230138 -0.310715 -0.199699 -0.179259 15H 3s -0.231345 -0.123199 -0.347727 0.008005 0.015242 0.308810 15H 1pz -0.003352 -0.012987 -0.005731 0.000931 0.003982 -0.003838 15H 1px 0.009964 -0.001958 0.009741 -0.004798 -0.009903 -0.000936 15H 1py -0.005826 0.016283 -0.007074 0.005215 0.001184 0.007990 16H 1s 0.005784 -0.005299 0.018912 0.000320 0.024460 0.018156 16H 2s -0.044743 -0.044210 -0.088215 0.212658 0.396346 -0.091595 16H 3s -0.075140 0.125459 -0.446982 -0.396190 -0.184557 -0.536359 16H 1pz -0.007782 0.000307 -0.016352 0.013951 0.010202 -0.015920 16H 1px 0.007470 0.006708 0.006956 -0.033292 0.000393 0.003480 16H 1py -0.002347 -0.002323 -0.012882 0.010266 0.017750 -0.010799 17H 1s -0.005614 -0.010281 -0.021843 0.023565 0.020028 -0.010315 17H 2s 0.017489 -0.055090 -0.189652 0.237180 0.440760 -0.163037 17H 3s 0.099937 -0.042369 0.203826 -0.561770 0.007874 0.092947 17H 1pz -0.003184 0.001320 0.005013 0.011151 -0.007620 0.001364 17H 1px -0.006916 -0.004042 -0.006318 -0.012086 -0.012022 0.000985 17H 1py 0.000568 -0.001658 -0.005290 0.008167 0.023145 -0.005110 18H 1s 0.005494 0.011376 0.020679 0.023314 -0.019782 -0.009563 18H 2s -0.016658 0.061008 0.185725 0.242523 -0.442010 -0.162225 18H 3s -0.102617 0.023519 -0.189901 -0.545962 -0.012823 0.080391 18H 1pz -0.003234 0.001105 0.005190 -0.010750 -0.008461 -0.001414 18H 1px -0.006676 -0.004137 -0.005865 0.012177 -0.012495 -0.001522 18H 1py 0.000356 -0.001657 -0.005340 -0.008899 0.022758 0.005287 19H 1s -0.006253 0.005352 -0.019106 0.000669 -0.024211 0.017956 19H 2s 0.041938 0.043684 0.082500 0.223697 -0.389630 -0.089160 19H 3s 0.079216 -0.120928 0.459285 -0.400241 0.166982 -0.523350 19H 1pz -0.007667 0.000604 -0.015525 -0.014087 0.009429 0.015343 19H 1px 0.007628 0.006721 0.006303 0.033656 0.001197 -0.003660 19H 1py -0.002491 -0.002466 -0.013342 -0.010989 0.017842 0.010821 20H 1s -0.012339 0.013185 0.019782 -0.014652 0.010516 -0.008698 20H 2s -0.284389 0.375886 0.236916 -0.314426 0.201278 -0.172839 20H 3s 0.248097 0.128243 0.342357 0.008194 -0.014542 0.321955 20H 1pz -0.003451 -0.012954 -0.005870 -0.000887 0.003791 0.003820 20H 1px 0.010145 -0.001655 0.009561 0.005254 -0.009678 0.000901 20H 1py -0.006133 0.015918 -0.006480 -0.005604 0.001550 -0.007879 21H 1s -0.027392 0.027889 0.019613 -0.022438 0.014651 -0.010990 21H 2s -0.541805 0.386827 0.351458 -0.499476 0.355748 -0.166349 21H 3s 0.656005 0.412511 0.479391 -0.134003 -0.293059 -0.199125 21H 1pz 0.005176 -0.006162 -0.012752 0.011028 -0.005496 0.005807 21H 1px 0.019293 0.004254 0.002002 0.018488 -0.015120 0.001631 21H 1py -0.001372 -0.002865 0.005188 -0.002877 0.003049 -0.000403 22H 1s 0.010138 0.032559 0.030806 -0.020725 -0.007044 -0.016217 22H 2s 0.279693 0.636723 0.718310 -0.320097 -0.100431 -0.272277 22H 3s -1.324131 0.533706 0.156386 0.081507 0.598980 -0.242816 22H 1pz -0.007625 -0.013044 -0.023158 0.010250 0.002102 0.006993 22H 1px 0.012779 0.009412 0.009064 0.001768 -0.008193 -0.005159 22H 1py 0.007811 0.009406 0.015484 -0.001145 -0.000370 -0.001034 23H 1s 0.023098 0.021042 -0.018440 -0.001794 0.001871 -0.021679 23H 2s 0.479114 0.474470 -0.178955 0.083383 0.036497 -0.422579 23H 3s -0.665933 0.348625 -0.498043 -0.520353 -0.506082 -0.364828 23H 1pz 0.002241 -0.012548 -0.002103 -0.008622 0.003246 0.011841 23H 1px -0.014271 0.002607 -0.013145 -0.003478 -0.010399 -0.007272 23H 1py -0.013325 -0.015108 -0.005745 -0.005443 -0.001188 0.012115 24H 1s 0.016501 0.023043 -0.008653 -0.001399 -0.001673 -0.018719 24H 2s 0.376388 0.324863 -0.216249 0.066817 0.011051 -0.393972 24H 3s -0.409610 0.230283 -0.189517 -0.011869 -0.350819 -0.224297 24H 1pz -0.009364 0.000968 0.010255 -0.007356 0.000988 0.017402 24H 1px -0.016379 0.008010 -0.008010 -0.002905 -0.011300 -0.004421 24H 1py -0.002210 -0.000830 0.009946 0.002386 0.000864 0.005191 25H 1s -0.012369 0.030013 -0.023040 -0.002498 -0.021344 -0.048218 25H 2s -0.290899 0.615285 -0.529579 -0.083904 -0.470773 -0.915932 25H 3s 1.112109 0.653141 -0.745031 0.275394 0.555342 -0.266001 25H 1pz 0.007421 -0.010522 0.012038 0.001056 0.012569 0.017146 25H 1px -0.013981 0.013290 -0.011944 0.000209 -0.013870 -0.024031 25H 1py 0.001499 -0.010599 0.003910 0.002264 0.005618 0.006744 26O 1s 0.007439 0.001167 -0.004872 -0.001114 0.007403 -0.001846 26O 2s 0.018080 0.003373 -0.011190 -0.002433 0.018282 -0.003742 26O 3s -0.028046 -0.017481 0.010318 0.004896 -0.032815 -0.015781 26O 4s -0.090937 0.063208 0.090384 0.054842 -0.109660 0.157173 26O 5s 0.326508 0.186327 -0.550844 -0.879173 0.734582 -0.217351 26O 1pz 0.025417 -0.010113 -0.002640 0.047387 -0.033580 0.002126 26O 1px 0.085044 0.013074 -0.003168 -0.038307 0.053002 -0.026578 26O 1py 0.048617 0.001260 0.033124 -0.040819 0.024110 -0.020077 26O 2pz 0.027622 -0.024734 -0.054920 0.121613 -0.027556 0.025054 26O 2px 0.070961 -0.032240 0.027217 0.060168 0.022279 -0.090413 26O 2py 0.031837 0.009668 0.082875 -0.024274 0.043021 -0.039670 26O 3pz -0.029068 -0.163400 0.511092 -0.470620 -0.141907 -0.604774 26O 3px -0.044124 0.045085 0.008965 0.220401 -0.469423 -0.058611 26O 3py 0.051566 -0.218765 0.006868 0.162212 -0.378795 -0.334093 26O 1dz2 0.000425 0.000550 -0.000087 -0.002273 0.003554 0.002125 26O 1dxz 0.001482 -0.003216 0.004221 -0.001928 0.002127 -0.003673 26O 1dyz 0.001256 0.000593 0.000368 -0.001485 0.002732 -0.000345 26O 1dx2y2 0.000154 -0.000157 -0.002694 0.003905 -0.003249 -0.001131 26O 1dxy 0.001567 -0.000247 -0.000356 0.003600 -0.002196 -0.002534 26O 2dz2 -0.014762 0.009470 -0.013257 0.017578 -0.012595 -0.003552 26O 2dxz 0.014212 0.007241 -0.007799 -0.008305 0.012416 -0.001062 26O 2dyz 0.009485 0.013192 -0.019240 0.004475 0.010837 -0.008268 26O 2dx2y2 0.016342 0.006719 0.004096 -0.020734 0.011183 0.003599 26O 2dxy 0.024978 0.008845 -0.005963 -0.030683 0.019087 -0.000007 26O 1f0 -0.000008 0.000292 -0.001181 -0.000377 0.000584 -0.000184 26O 1f+1 0.000487 -0.000489 0.000360 -0.001856 0.000973 0.000399 26O 1f-1 0.000130 0.000672 -0.000316 -0.000294 -0.000145 -0.000826 26O 1f+2 -0.000013 -0.000778 0.000981 -0.000064 -0.000158 0.000300 26O 1f-2 -0.000030 -0.000283 0.000652 0.000102 -0.000929 -0.000274 26O 1f+3 0.000449 -0.000266 0.000383 -0.000651 -0.000335 0.000308 26O 1f-3 0.000568 -0.000331 0.000309 -0.001897 0.001565 0.000347 27O 1s -0.008677 0.003576 -0.000622 -0.000265 0.004838 0.001375 27O 2s -0.021312 0.008445 -0.001954 0.000422 0.012181 0.003021 27O 3s 0.038396 -0.011552 0.010910 -0.023682 -0.025815 -0.004914 27O 4s 0.073703 -0.042899 0.014528 0.075279 -0.060497 -0.003275 27O 5s -0.403972 0.440889 -0.385332 0.850085 0.592378 0.039520 27O 1pz -0.027959 -0.030844 0.004667 -0.067717 -0.042627 0.010599 27O 1px -0.092513 0.004403 -0.033782 0.083018 0.064268 -0.055531 27O 1py 0.033694 -0.011682 0.003968 -0.001368 0.021564 -0.020518 27O 2pz -0.053324 -0.069073 0.019055 -0.142254 -0.051692 0.026216 27O 2px -0.063234 -0.041492 -0.017506 0.000004 0.035033 -0.106451 27O 2py 0.015697 -0.051516 0.013106 0.046130 0.019836 -0.054029 27O 3pz 0.117956 0.037329 -0.190748 0.577964 0.084804 -0.211536 27O 3px 0.154993 0.050614 0.479998 -0.585453 -0.317592 -0.095283 27O 3py -0.039360 0.425709 -0.035377 -0.052626 0.186351 0.425092 27O 1dz2 0.000936 -0.001493 -0.002120 0.000742 0.000993 0.001035 27O 1dxz -0.000239 -0.002098 -0.001612 0.003686 0.002974 0.000085 27O 1dyz 0.001237 -0.001476 -0.000488 0.000423 -0.001666 -0.000491 27O 1dx2y2 -0.000085 0.001253 0.005329 -0.004933 -0.004568 -0.000826 27O 1dxy 0.001631 0.002852 0.001513 0.001179 -0.000246 0.002107 27O 2dz2 0.022553 -0.007607 0.004215 -0.025063 -0.016048 0.002545 27O 2dxz -0.000573 0.005515 -0.001736 -0.012491 -0.001246 0.001952 27O 2dyz 0.002912 -0.013264 -0.007228 0.002119 -0.007299 0.012632 27O 2dx2y2 -0.022614 -0.006416 -0.030339 0.038629 0.014276 -0.004625 27O 2dxy 0.027515 -0.012362 0.008866 -0.022035 -0.016381 -0.002220 27O 1f0 0.000103 -0.000037 -0.000250 -0.001344 0.000151 0.001014 27O 1f+1 -0.000548 -0.000349 -0.001781 0.002135 0.000823 0.000097 27O 1f-1 0.000388 -0.000168 -0.000250 -0.000859 -0.000285 0.000044 27O 1f+2 -0.000033 -0.000444 -0.001142 0.000818 0.000274 0.000226 27O 1f-2 -0.000166 -0.000133 -0.000321 -0.001127 -0.000265 -0.000050 27O 1f+3 -0.000653 -0.000816 -0.001720 0.002482 0.000776 -0.000606 27O 1f-3 0.000909 -0.000774 0.000835 -0.000804 -0.000801 -0.000630 28O 1s -0.006225 0.004245 -0.005213 0.001079 -0.006553 0.008779 28O 2s -0.015635 0.010499 -0.013435 0.002745 -0.016544 0.022439 28O 3s 0.035060 -0.019839 0.038537 -0.009578 0.038002 -0.060917 28O 4s 0.003488 -0.014344 -0.020016 -0.014286 0.060411 0.008951 28O 5s -0.179171 -0.148809 -0.467886 0.774219 -0.900339 0.275596 28O 1pz -0.045961 0.013314 -0.064663 0.000668 -0.018239 0.047779 28O 1px 0.053403 0.014150 0.002139 -0.050022 0.071612 -0.001553 28O 1py -0.035540 0.021181 -0.012871 0.020502 0.030054 0.005566 28O 2pz 0.016468 0.019537 -0.063202 -0.098978 0.015429 0.037308 28O 2px 0.052305 0.043351 -0.088077 -0.038343 0.022004 0.129119 28O 2py -0.040979 0.065980 0.000519 0.014145 0.042599 0.011993 28O 3pz -0.225660 -0.170057 0.628200 0.259031 0.417557 -0.831091 28O 3px -0.237882 -0.354007 0.036589 0.656732 -0.321525 -0.181093 28O 3py -0.010935 -0.411981 0.131839 0.051130 0.063587 -0.366027 28O 1dz2 -0.003298 -0.002740 0.002690 0.001454 -0.001087 -0.002042 28O 1dxz 0.002042 0.000144 -0.003060 0.001640 -0.004259 0.003478 28O 1dyz -0.002244 0.000244 -0.000116 0.000701 -0.003311 0.000322 28O 1dx2y2 0.001471 0.002586 -0.001760 -0.004819 0.003341 0.000403 28O 1dxy 0.001214 0.002430 -0.002066 -0.000124 0.000281 0.001134 28O 2dz2 -0.009297 0.016048 -0.018285 0.007084 -0.015928 0.018829 28O 2dxz 0.029437 0.016909 0.023563 -0.027103 0.025003 -0.025789 28O 2dyz 0.002011 0.016924 -0.020989 0.004737 -0.013531 0.005594 28O 2dx2y2 -0.012722 -0.001075 -0.005579 0.014132 -0.013708 0.014686 28O 2dxy 0.010961 0.008578 0.001702 -0.013692 0.005455 -0.006250 28O 1f0 -0.000536 -0.001059 0.000088 0.001338 -0.000464 0.000625 28O 1f+1 -0.001018 -0.000339 -0.002033 0.001197 -0.002038 0.002382 28O 1f-1 0.000002 -0.000438 0.000851 0.000602 0.000679 -0.001623 28O 1f+2 0.001172 0.000864 0.000684 -0.001108 0.001503 -0.001999 28O 1f-2 -0.000311 0.000490 -0.000644 0.000571 0.000037 0.000115 28O 1f+3 0.000345 0.000871 0.000169 -0.000134 0.000747 -0.001122 28O 1f-3 -0.000226 -0.000076 0.000202 0.000529 -0.000405 0.000694 29O 1s -0.000929 -0.003980 0.003190 0.015977 -0.003825 0.005415 29O 2s -0.002153 -0.008731 0.006952 0.035303 -0.008466 0.012667 29O 3s 0.001526 -0.001637 0.000507 0.003928 0.003788 -0.011202 29O 4s 0.017565 0.124831 -0.133093 -0.473694 0.170445 -0.154850 29O 5s 0.008623 -0.133556 0.353744 0.488799 -0.547910 0.347623 29O 1pz 0.032222 -0.027798 0.087132 -0.017248 0.026778 0.080919 29O 1px 0.011731 0.010649 0.009360 -0.062722 0.005315 -0.009072 29O 1py 0.003106 0.015764 0.021275 -0.058119 -0.006728 0.024918 29O 2pz 0.063613 -0.058384 0.172966 -0.007704 0.051462 0.172653 29O 2px 0.026966 0.021280 0.010518 -0.186529 0.025799 -0.051873 29O 2py 0.010541 0.036263 0.026381 -0.151405 -0.002078 0.044248 29O 3pz -0.219628 0.135790 -0.496247 0.018017 -0.003660 -0.530939 29O 3px -0.101015 -0.031201 0.126700 0.522559 -0.459860 0.354435 29O 3py -0.025087 -0.106207 -0.173314 0.497650 0.354280 -0.233214 29O 1dz2 -0.000528 0.000406 -0.001725 0.000551 0.004038 -0.002016 29O 1dxz 0.000339 -0.001055 -0.001220 0.000865 0.004197 -0.000743 29O 1dyz -0.001472 0.000703 -0.001509 0.000159 -0.000224 -0.001592 29O 1dx2y2 0.000136 0.000133 0.000870 -0.000652 -0.001727 0.001005 29O 1dxy -0.000451 0.000447 0.002167 0.000415 -0.004363 0.002021 29O 2dz2 0.005425 0.000653 0.007459 -0.008620 0.000926 0.002843 29O 2dxz -0.008542 -0.006444 -0.002135 0.010152 -0.004261 -0.006090 29O 2dyz 0.006887 0.000042 0.007703 -0.013826 -0.006517 0.008313 29O 2dx2y2 -0.002445 -0.002910 -0.009146 0.002987 0.006679 0.002255 29O 2dxy -0.000616 0.001243 -0.003616 0.029327 0.021677 -0.007174 29O 1f0 -0.000199 -0.000215 -0.000671 0.001161 0.001168 -0.000654 29O 1f+1 -0.000222 -0.000271 0.000247 0.000011 -0.000495 0.000358 29O 1f-1 -0.000509 -0.000181 -0.001202 0.002136 0.001661 -0.001150 29O 1f+2 0.000482 0.000245 0.000498 -0.000964 0.000341 0.000502 29O 1f-2 0.000305 0.000364 0.000055 0.000551 0.001407 0.000031 29O 1f+3 -0.000196 -0.000263 -0.000561 -0.000397 0.000679 -0.000066 29O 1f-3 -0.000227 -0.000079 -0.000161 0.000261 -0.000437 0.000168 30O 1s 0.004159 0.005756 0.003953 0.000395 -0.008020 0.002765 30O 2s 0.010431 0.014069 0.010557 0.002146 -0.019886 0.006485 30O 3s -0.022071 -0.025863 -0.033926 -0.020327 0.040188 -0.010556 30O 4s -0.010317 -0.048271 0.046144 0.083776 0.084585 -0.030397 30O 5s 0.085450 0.326675 0.145214 -0.305715 -0.877346 0.129566 30O 1pz 0.046275 -0.007113 0.005911 0.038591 -0.010485 0.010188 30O 1px -0.040426 -0.003829 -0.020930 0.000946 0.064060 0.050621 30O 1py -0.046228 -0.053003 -0.019626 0.017126 -0.003332 -0.006255 30O 2pz 0.028299 -0.064216 -0.003637 0.114179 0.006246 0.013337 30O 2px -0.050141 0.049483 0.022484 -0.003081 0.023307 0.123617 30O 2py -0.005909 -0.089075 -0.004099 -0.005086 -0.037298 -0.003346 30O 3pz 0.139482 0.046150 -0.215578 -0.485613 0.362800 -0.246497 30O 3px 0.196174 -0.203531 -0.131379 -0.259341 -0.421367 -0.229396 30O 3py -0.273359 0.557538 0.284397 0.230380 -0.315375 0.259483 30O 1dz2 0.001306 -0.001062 0.000290 -0.001287 -0.000871 -0.000271 30O 1dxz -0.000746 -0.001134 0.001424 -0.000354 -0.003059 0.001038 30O 1dyz -0.003033 0.000724 -0.000708 0.000108 0.001559 0.001121 30O 1dx2y2 -0.003624 0.003523 0.000800 0.003675 0.003597 0.001078 30O 1dxy 0.001487 -0.002947 -0.004385 0.001521 0.002917 -0.000657 30O 2dz2 0.001108 -0.008352 -0.015060 -0.011167 0.000433 0.004274 30O 2dxz -0.017738 0.001005 -0.004825 -0.004184 0.016105 -0.000419 30O 2dyz -0.007117 -0.025773 -0.016867 -0.003184 0.021278 0.002416 30O 2dx2y2 0.002193 -0.011302 -0.015073 -0.001721 0.004105 -0.009879 30O 2dxy 0.024358 -0.002823 -0.003516 -0.018500 -0.023293 0.005238 30O 1f0 0.000608 0.000378 0.000244 -0.000180 -0.001441 0.000526 30O 1f+1 -0.000088 -0.000724 -0.000075 -0.000675 -0.000554 0.000622 30O 1f-1 -0.000202 0.000156 0.000010 0.000339 -0.000509 0.000362 30O 1f+2 -0.000476 0.000957 0.000893 -0.000592 -0.000247 0.001157 30O 1f-2 -0.000696 -0.000340 -0.000339 -0.000041 0.001899 0.000041 30O 1f+3 0.000182 0.000976 0.000301 -0.000684 -0.001381 0.000604 30O 1f-3 -0.000938 0.000236 0.000561 -0.000224 0.001238 -0.000222 31O 1s -0.004166 -0.005780 -0.004025 0.000151 0.007920 0.002855 31O 2s -0.010460 -0.014115 -0.010729 0.001514 0.019619 0.006701 31O 3s 0.022315 0.025745 0.034130 -0.018533 -0.039362 -0.011006 31O 4s 0.008855 0.050297 -0.044398 0.083403 -0.086285 -0.031276 31O 5s -0.085359 -0.339749 -0.152068 -0.334284 0.895876 0.142229 31O 1pz 0.046886 -0.006098 0.005259 -0.037768 -0.011675 -0.011337 31O 1px -0.040860 -0.003899 -0.020741 -0.002336 0.064493 -0.050994 31O 1py -0.046614 -0.052417 -0.020620 -0.017099 -0.005396 0.006039 31O 2pz 0.028714 -0.062976 -0.005492 -0.113547 0.004011 -0.015001 31O 2px -0.050894 0.049870 0.023350 0.003593 0.024505 -0.125020 31O 2py -0.005246 -0.086567 -0.006233 0.006892 -0.042035 0.001681 31O 3pz 0.143887 0.045228 -0.217669 0.467541 0.370387 0.258640 31O 3px 0.198733 -0.194756 -0.133642 0.273684 -0.433661 0.219662 31O 3py -0.284491 0.545624 0.291839 -0.217829 -0.297178 -0.261371 31O 1dz2 -0.001295 0.001042 -0.000308 -0.001290 0.000902 -0.000315 31O 1dxz 0.000756 0.001089 -0.001476 -0.000463 0.003127 0.001082 31O 1dyz 0.003095 -0.000719 0.000680 0.000148 -0.001559 0.001163 31O 1dx2y2 0.003664 -0.003412 -0.000881 0.003751 -0.003638 0.001075 31O 1dxy -0.001529 0.002903 0.004384 0.001630 -0.002843 -0.000606 31O 2dz2 -0.001102 0.008142 0.014699 -0.010914 -0.000523 0.004523 31O 2dxz 0.017816 -0.000706 0.004686 -0.003394 -0.016639 -0.000807 31O 2dyz 0.007373 0.025938 0.017213 -0.002301 -0.021040 0.002056 31O 2dx2y2 -0.002113 0.011237 0.015031 -0.001543 -0.004008 -0.009582 31O 2dxy -0.024419 0.002439 0.003652 -0.019530 0.023026 0.005902 31O 1f0 0.000581 0.000393 0.000233 0.000220 -0.001415 -0.000543 31O 1f+1 -0.000078 -0.000706 -0.000066 0.000717 -0.000544 -0.000643 31O 1f-1 -0.000209 0.000164 0.000056 -0.000309 -0.000511 -0.000385 31O 1f+2 -0.000500 0.000947 0.000903 0.000598 -0.000203 -0.001140 31O 1f-2 -0.000705 -0.000369 -0.000327 -0.000053 0.001903 0.000019 31O 1f+3 0.000193 0.001000 0.000289 0.000722 -0.001376 -0.000625 31O 1f-3 -0.000934 0.000215 0.000541 0.000190 0.001265 0.000248 32O 1s 0.000844 0.004285 -0.003678 0.015688 0.004134 0.005410 32O 2s 0.001976 0.009414 -0.008045 0.034674 0.009137 0.012658 32O 3s -0.001724 0.001512 -0.000356 0.003797 -0.003510 -0.011236 32O 4s -0.013808 -0.133733 0.146932 -0.462277 -0.181163 -0.154401 32O 5s -0.015889 0.146111 -0.369388 0.463837 0.563940 0.346428 32O 1pz 0.032770 -0.026277 0.086495 0.015686 0.026532 -0.077446 32O 1px 0.011359 0.012497 0.007047 0.060943 0.006507 0.010157 32O 1py 0.004273 0.015365 0.022592 0.060011 -0.005583 -0.026909 32O 2pz 0.064729 -0.055438 0.172674 0.003272 0.050024 -0.165220 32O 2px 0.026560 0.025511 0.004647 0.181940 0.028984 0.053778 32O 2py 0.012680 0.035753 0.028383 0.154409 0.001164 -0.048859 32O 3pz -0.219638 0.131782 -0.490150 -0.009574 -0.014437 0.502783 32O 3px -0.101384 -0.040780 0.146351 -0.501547 -0.474196 -0.359975 32O 3py -0.031686 -0.105300 -0.176933 -0.512974 0.345117 0.245804 32O 1dz2 0.000451 -0.000367 0.001654 0.000668 -0.004059 -0.001898 32O 1dxz -0.000361 0.001069 0.001204 0.000889 -0.004265 -0.000761 32O 1dyz 0.001469 -0.000721 0.001535 0.000203 0.000146 -0.001545 32O 1dx2y2 -0.000164 -0.000117 -0.000897 -0.000728 0.001672 0.001014 32O 1dxy 0.000424 -0.000417 -0.002189 0.000311 0.004348 0.002009 32O 2dz2 -0.005088 -0.000270 -0.006247 -0.008005 -0.001483 0.002125 32O 2dxz 0.008560 0.006584 0.001781 0.009805 0.005321 -0.005794 32O 2dyz -0.006934 -0.000047 -0.007453 -0.013995 0.005869 0.008178 32O 2dx2y2 0.002471 0.002994 0.009367 0.003356 -0.006340 0.002229 32O 2dxy 0.001042 -0.001164 0.003866 0.030177 -0.021226 -0.007688 32O 1f0 -0.000179 -0.000203 -0.000611 -0.001094 0.001048 0.000593 32O 1f+1 -0.000216 -0.000268 0.000311 0.000059 -0.000593 -0.000387 32O 1f-1 -0.000512 -0.000166 -0.001172 -0.002206 0.001697 0.001154 32O 1f+2 0.000492 0.000244 0.000506 0.001055 0.000278 -0.000541 32O 1f-2 0.000303 0.000375 0.000063 -0.000542 0.001375 -0.000039 32O 1f+3 -0.000173 -0.000264 -0.000566 0.000352 0.000722 0.000050 32O 1f-3 -0.000242 -0.000091 -0.000178 -0.000293 -0.000435 -0.000161 33O 1s 0.006135 -0.004357 0.005056 0.001049 0.006694 0.008921 33O 2s 0.015408 -0.010759 0.013034 0.002677 0.016884 0.022789 33O 3s -0.034591 0.020085 -0.037392 -0.009569 -0.038737 -0.061680 33O 4s -0.002912 0.017079 0.019869 -0.012688 -0.061808 0.007875 33O 5s 0.176359 0.139198 0.448948 0.760866 0.927882 0.288125 33O 1pz -0.044678 0.013927 -0.064226 -0.001574 -0.019219 -0.048794 33O 1px 0.052766 0.013679 0.000388 0.048923 0.073328 0.001396 33O 1py -0.035782 0.020716 -0.011867 -0.021694 0.030559 -0.006116 33O 2pz 0.018006 0.019893 -0.065958 0.096943 0.017845 -0.038030 33O 2px 0.051763 0.044004 -0.088100 0.036045 0.021482 -0.131112 33O 2py -0.041330 0.065053 0.002161 -0.016015 0.044876 -0.012779 33O 3pz -0.227741 -0.174434 0.624538 -0.253711 0.413675 0.840470 33O 3px -0.239159 -0.353175 0.047387 -0.639504 -0.336665 0.177354 33O 3py -0.007482 -0.410485 0.128433 -0.044574 0.056164 0.373529 33O 1dz2 0.003296 0.002712 -0.002730 0.001368 0.001153 -0.002103 33O 1dxz -0.002049 -0.000174 0.002961 0.001646 0.004359 0.003522 33O 1dyz 0.002222 -0.000233 0.000082 0.000631 0.003343 0.000297 33O 1dx2y2 -0.001511 -0.002572 0.001821 -0.004708 -0.003465 0.000424 33O 1dxy -0.001196 -0.002434 0.002091 -0.000023 -0.000264 0.001189 33O 2dz2 0.009094 -0.015780 0.017136 0.007096 0.015891 0.018907 33O 2dxz -0.029160 -0.016260 -0.022776 -0.026739 -0.026499 -0.026282 33O 2dyz -0.002257 -0.017201 0.021260 0.005224 0.013938 0.006087 33O 2dx2y2 0.012746 0.001131 0.004494 0.013812 0.014113 0.014758 33O 2dxy -0.011209 -0.008484 -0.001498 -0.013375 -0.005911 -0.006643 33O 1f0 -0.000540 -0.001046 0.000083 -0.001319 -0.000505 -0.000634 33O 1f+1 -0.001003 -0.000322 -0.001970 -0.001171 -0.002080 -0.002426 33O 1f-1 0.000016 -0.000472 0.000855 -0.000586 0.000684 0.001648 33O 1f+2 0.001163 0.000840 0.000613 0.001069 0.001575 0.002020 33O 1f-2 -0.000320 0.000502 -0.000662 -0.000594 0.000003 -0.000142 33O 1f+3 0.000343 0.000846 0.000132 0.000106 0.000773 0.001140 33O 1f-3 -0.000250 -0.000062 0.000215 -0.000526 -0.000444 -0.000709 34O 1s 0.008728 -0.003428 0.000631 -0.000245 -0.004920 0.001462 34O 2s 0.021436 -0.008062 0.001951 0.000480 -0.012351 0.003248 34O 3s -0.038647 0.010523 -0.010323 -0.023848 0.025725 -0.005682 34O 4s -0.074860 0.042829 -0.017214 0.074475 0.062350 -0.003444 34O 5s 0.418488 -0.426181 0.373550 0.857502 -0.587228 0.064124 34O 1pz -0.027099 -0.030198 0.001941 0.069383 -0.041164 -0.010720 34O 1px -0.093668 0.002116 -0.033482 -0.084710 0.063104 0.055008 34O 1py 0.033963 -0.011232 0.002141 0.001128 0.022790 0.020503 34O 2pz -0.051708 -0.067960 0.013128 0.145238 -0.048204 -0.027031 34O 2px -0.063144 -0.042241 -0.019162 -0.001431 0.033207 0.107176 34O 2py 0.015978 -0.051283 0.009529 -0.045697 0.021723 0.053898 34O 3pz 0.113400 0.035895 -0.176368 -0.586544 0.065194 0.215082 34O 3px 0.163522 0.059254 0.465190 0.585498 -0.313122 0.120282 34O 3py -0.042208 0.422408 -0.018648 0.050756 0.185215 -0.433215 34O 1dz2 -0.000902 0.001513 0.002082 0.000768 -0.001068 0.001105 34O 1dxz 0.000296 0.002139 0.001532 0.003791 -0.002870 0.000070 34O 1dyz -0.001232 0.001429 0.000499 0.000399 0.001732 -0.000519 34O 1dx2y2 0.000011 -0.001285 -0.005232 -0.005047 0.004560 -0.000974 34O 1dxy -0.001637 -0.002851 -0.001569 0.001163 0.000286 0.002120 34O 2dz2 -0.022910 0.006893 -0.004387 -0.025341 0.015930 0.002254 34O 2dxz 0.000528 -0.005619 0.001826 -0.012511 0.000940 0.002056 34O 2dyz -0.002797 0.013210 0.007221 0.002139 0.007081 0.012523 34O 2dx2y2 0.023332 0.007053 0.029360 0.039039 -0.014227 -0.003749 34O 2dxy -0.027777 0.011795 -0.008463 -0.022224 0.016071 -0.002723 34O 1f0 0.000099 -0.000029 -0.000244 0.001359 0.000201 -0.001030 34O 1f+1 -0.000579 -0.000377 -0.001753 -0.002147 0.000802 -0.000155 34O 1f-1 0.000389 -0.000160 -0.000260 0.000848 -0.000256 -0.000039 34O 1f+2 -0.000056 -0.000459 -0.001137 -0.000857 0.000263 -0.000223 34O 1f-2 -0.000170 -0.000135 -0.000323 0.001146 -0.000228 0.000030 34O 1f+3 -0.000681 -0.000862 -0.001678 -0.002488 0.000769 0.000562 34O 1f-3 0.000927 -0.000739 0.000810 0.000819 -0.000806 0.000675 35O 1s -0.007407 -0.001105 0.004934 -0.001003 -0.007421 -0.001772 35O 2s -0.017993 -0.003207 0.011317 -0.002171 -0.018297 -0.003564 35O 3s 0.027785 0.016989 -0.010147 0.004576 0.032488 -0.016179 35O 4s 0.090969 -0.062806 -0.094259 0.053528 0.113885 0.156447 35O 5s -0.326116 -0.187702 0.576224 -0.872919 -0.774004 -0.197449 35O 1pz 0.024930 -0.010969 -0.002947 -0.046507 -0.034434 -0.001570 35O 1px 0.085180 0.012457 -0.005344 0.037431 0.054884 0.026449 35O 1py 0.048438 0.001830 0.034179 0.041098 0.024090 0.019863 35O 2pz 0.027027 -0.026050 -0.054635 -0.121415 -0.030723 -0.024239 35O 2px 0.071718 -0.033140 0.025057 -0.060416 0.021705 0.091907 35O 2py 0.031148 0.011361 0.087407 0.024909 0.040357 0.039488 35O 3pz -0.026657 -0.163038 0.494466 0.480818 -0.120390 0.607245 35O 3px -0.043918 0.047880 0.017630 -0.226556 -0.483430 0.065653 35O 3py 0.052695 -0.227279 -0.010651 -0.162209 -0.367782 0.343963 35O 1dz2 -0.000426 -0.000539 0.000098 -0.002223 -0.003649 0.002140 35O 1dxz -0.001468 0.003210 -0.004095 -0.001988 -0.002239 -0.003741 35O 1dyz -0.001276 -0.000616 -0.000322 -0.001463 -0.002721 -0.000333 35O 1dx2y2 -0.000170 0.000118 0.002616 0.003962 0.003423 -0.001144 35O 1dxy -0.001527 0.000327 0.000352 0.003583 0.002241 -0.002575 35O 2dz2 0.014793 -0.009140 0.012354 0.018023 0.013341 -0.003623 35O 2dxz -0.013924 -0.006915 0.007847 -0.008111 -0.012739 -0.000836 35O 2dyz -0.009456 -0.013191 0.019564 0.005150 -0.010698 -0.008016 35O 2dx2y2 -0.016062 -0.006460 -0.003967 -0.021005 -0.011787 0.003705 35O 2dxy -0.025039 -0.008872 0.006465 -0.030823 -0.019983 0.000532 35O 1f0 -0.000021 0.000287 -0.001182 0.000368 0.000579 0.000147 35O 1f+1 0.000480 -0.000487 0.000331 0.001881 0.001023 -0.000418 35O 1f-1 0.000142 0.000661 -0.000351 0.000286 -0.000133 0.000813 35O 1f+2 0.000002 -0.000746 0.000978 0.000081 -0.000188 -0.000270 35O 1f-2 -0.000014 -0.000286 0.000640 -0.000099 -0.000914 0.000293 35O 1f+3 0.000437 -0.000287 0.000393 0.000691 -0.000307 -0.000326 35O 1f-3 0.000553 -0.000324 0.000276 0.001936 0.001625 -0.000371 216 217 218 219 220 221 0.57599 0.58202 0.58629 0.59162 0.61005 0.61137 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s -0.001770 0.000423 -0.004572 -0.002276 0.000470 0.000861 0Rh 2s 0.006551 -0.002110 0.010849 0.006215 -0.000150 -0.001217 0Rh 3s -0.006268 0.001164 -0.019947 -0.009430 0.002648 0.004267 0Rh 4s -0.029415 0.009735 -0.045751 -0.026818 -0.000053 0.004600 0Rh 5s 0.023881 -0.012894 -0.020460 0.000279 0.014391 0.013798 0Rh 6s 0.056793 0.001683 0.331729 0.144203 -0.058227 -0.080793 0Rh 7s 0.116608 -0.384462 -2.051773 -0.406791 0.159001 -0.035794 0Rh 8s -0.786303 0.921220 0.591924 -2.321232 0.652513 1.546120 0Rh 1pz 0.000103 -0.004136 0.005974 -0.001536 -0.013158 0.004386 0Rh 1px -0.004827 0.001975 0.003844 -0.001818 -0.006130 0.006525 0Rh 1py 0.001200 0.000122 0.001585 -0.009305 0.010517 -0.003567 0Rh 2pz -0.000301 0.014421 -0.020706 0.005267 0.045557 -0.015098 0Rh 2px 0.016610 -0.006817 -0.013561 0.006486 0.021052 -0.022585 0Rh 2py -0.003934 -0.000449 -0.005296 0.032261 -0.036145 0.012422 0Rh 3pz -0.000725 -0.015572 0.020308 -0.003812 -0.042508 0.012540 0Rh 3px -0.013662 0.005958 0.017090 -0.009637 -0.016367 0.020755 0Rh 3py -0.000853 0.000925 0.001291 -0.031287 0.028633 -0.013231 0Rh 4pz 0.003861 -0.009853 0.020417 -0.012003 -0.059684 0.024388 0Rh 4px -0.028892 0.011001 0.004378 0.004723 -0.040132 0.032523 0Rh 4py 0.025230 -0.001288 0.021016 -0.036623 0.066642 -0.007789 0Rh 5pz 0.000223 -0.027670 0.027583 0.012236 -0.010618 0.011223 0Rh 5px 0.012075 -0.006248 0.000065 -0.027062 0.019307 -0.010038 0Rh 5py -0.062104 0.000851 -0.027858 -0.013440 -0.028720 -0.042685 0Rh 6pz -0.368756 0.485517 0.061861 0.401347 1.009985 -1.098424 0Rh 6px 0.117461 0.024087 1.102187 0.807747 0.194004 -0.314512 0Rh 6py 0.834042 0.158506 0.448832 -0.378432 -0.327750 1.247587 0Rh 1dz2 0.020717 0.009990 0.010429 0.002381 0.003434 -0.000301 0Rh 1dxz 0.011321 0.000193 -0.011611 -0.008189 -0.010023 0.006071 0Rh 1dyz -0.012622 -0.000274 -0.004823 -0.005757 -0.006319 -0.003698 0Rh 1dx2y2 0.001460 0.011861 -0.011105 -0.005231 -0.002544 0.011539 0Rh 1dxy 0.004043 0.004112 0.001887 0.017640 0.008250 -0.006299 0Rh 2dz2 -0.004714 -0.004147 -0.000363 -0.000739 0.000310 0.001321 0Rh 2dxz -0.002163 -0.001536 0.002495 0.000525 0.001769 -0.000203 0Rh 2dyz 0.001398 0.000563 0.001178 0.000580 0.001097 0.000526 0Rh 2dx2y2 -0.001407 -0.004006 0.000444 0.000938 0.000533 -0.001561 0Rh 2dxy -0.000111 -0.001386 -0.000926 -0.001802 -0.001457 0.000951 0Rh 3dz2 -0.020323 -0.002135 -0.018503 -0.001483 -0.007983 -0.005006 0Rh 3dxz -0.012710 0.005881 0.011981 0.013616 0.012013 -0.010966 0Rh 3dyz 0.018446 -0.001546 0.004353 0.008709 0.007585 0.004825 0Rh 3dx2y2 0.002842 -0.006151 0.019475 0.006105 0.002820 -0.015686 0Rh 3dxy -0.007469 -0.002092 0.000171 -0.026454 -0.009956 0.008191 0Rh 4dz2 -0.083217 -0.064469 -0.015301 -0.012779 0.001042 0.019005 0Rh 4dxz -0.041812 -0.019441 0.047955 0.015886 0.034657 -0.008867 0Rh 4dyz 0.032536 0.004069 0.021872 0.013533 0.022704 0.012941 0Rh 4dx2y2 -0.019260 -0.066170 0.015626 0.018957 0.008684 -0.034892 0Rh 4dxy -0.003736 -0.023652 -0.014864 -0.044442 -0.027452 0.020605 0Rh 5dz2 0.148224 0.190179 -0.071071 0.040497 -0.043089 -0.106870 0Rh 5dxz 0.096736 0.063481 -0.147437 -0.003491 -0.074532 -0.012208 0Rh 5dyz -0.027040 0.057394 -0.085379 0.004179 -0.078242 -0.050139 0Rh 5dx2y2 0.054931 0.201022 0.097959 -0.033560 -0.017090 0.061778 0Rh 5dxy -0.058934 0.089665 0.054429 0.044517 0.031969 -0.064442 0Rh 1f0 0.001967 0.009835 -0.005705 -0.003421 0.000016 -0.007301 0Rh 1f+1 0.001138 -0.004466 0.009481 0.008442 0.003432 0.001372 0Rh 1f-1 -0.009748 -0.000393 0.001025 -0.005328 -0.004713 -0.001210 0Rh 1f+2 -0.005922 0.001771 -0.004267 0.001229 0.001676 -0.001539 0Rh 1f-2 0.011090 -0.003759 0.005852 -0.003134 0.007559 0.006006 0Rh 1f+3 -0.001128 0.007321 0.005970 0.007860 -0.005862 -0.000903 0Rh 1f-3 -0.011450 0.010926 0.007259 -0.004830 0.006418 0.002169 1Rh 1s -0.001759 0.000745 0.004621 0.002276 0.000038 0.000637 1Rh 2s 0.006552 -0.003002 -0.010986 -0.006128 -0.000405 -0.000284 1Rh 3s -0.006204 0.002488 0.020148 0.009481 -0.000029 0.003543 1Rh 4s -0.029439 0.013591 0.046346 0.026387 0.001966 0.000363 1Rh 5s 0.024272 -0.013130 0.020372 0.000829 -0.004230 0.018034 1Rh 6s 0.055332 -0.018161 -0.334507 -0.146429 0.006845 -0.074922 1Rh 7s 0.133218 -0.302058 2.055055 0.428384 -0.216510 -0.073480 1Rh 8s -0.825643 1.082899 -0.561462 2.298367 0.450762 1.616237 1Rh 1pz -0.000268 0.004050 0.005873 -0.001647 -0.012898 0.005135 1Rh 1px 0.004884 -0.002239 0.003679 -0.001808 -0.008954 -0.001458 1Rh 1py -0.001130 -0.000580 0.001617 -0.009295 0.010719 -0.002984 1Rh 2pz 0.000878 -0.014103 -0.020358 0.005660 0.044618 -0.017820 1Rh 2px -0.016813 0.007740 -0.012989 0.006446 0.030859 0.005165 1Rh 2py 0.003708 0.002058 -0.005408 0.032225 -0.036946 0.010113 1Rh 3pz 0.000120 0.014933 0.019985 -0.004369 -0.040960 0.017302 1Rh 3px 0.013947 -0.007017 0.016593 -0.009546 -0.025966 -0.006843 1Rh 3py 0.000743 -0.002944 0.001412 -0.031217 0.031434 -0.005075 1Rh 4pz -0.004398 0.010688 0.019947 -0.011660 -0.060234 0.021918 1Rh 4px 0.028850 -0.011420 0.003475 0.004641 -0.052341 -0.000672 1Rh 4py -0.023682 0.001250 0.021151 -0.036691 0.058558 -0.031665 1Rh 5pz -0.000711 0.025191 0.027692 0.009041 -0.016786 -0.006840 1Rh 5px -0.011900 0.003901 0.000430 -0.027483 0.021944 -0.003095 1Rh 5py 0.059664 -0.004811 -0.028391 -0.013648 0.002862 0.052141 1Rh 6pz 0.394576 -0.429968 0.061452 0.478213 1.454030 0.269993 1Rh 6px -0.102637 0.073231 1.103237 0.827018 0.319265 0.043195 1Rh 6py -0.827980 -0.188839 0.472514 -0.360115 -1.006324 -0.826344 1Rh 1dz2 0.020578 0.009967 -0.010939 -0.003031 -0.002805 0.002578 1Rh 1dxz 0.011206 0.000351 0.011523 0.008169 0.011275 -0.002106 1Rh 1dyz -0.012330 0.000510 0.004787 0.005668 0.002733 -0.006915 1Rh 1dx2y2 0.001888 0.012099 0.011114 0.004839 0.008915 0.006794 1Rh 1dxy 0.003550 0.001859 -0.001910 -0.017789 -0.010220 0.000175 1Rh 2dz2 -0.004717 -0.004154 0.000572 0.001054 0.000600 0.001134 1Rh 2dxz -0.002156 -0.001504 -0.002405 -0.000415 -0.001415 0.001126 1Rh 2dyz 0.001324 0.000448 -0.001188 -0.000623 -0.000583 0.001118 1Rh 2dx2y2 -0.001448 -0.004027 -0.000339 -0.000690 -0.001298 -0.000869 1Rh 2dxy -0.000024 -0.001119 0.000930 0.001859 0.001688 -0.000186 1Rh 3dz2 -0.020043 -0.002059 0.018621 0.001430 0.002915 -0.009808 1Rh 3dxz -0.012520 0.005451 -0.012185 -0.014024 -0.015946 -0.000665 1Rh 3dyz 0.018198 -0.002576 -0.004252 -0.008375 -0.002892 0.008574 1Rh 3dx2y2 0.002196 -0.006519 -0.019924 -0.006374 -0.011850 -0.009348 1Rh 3dxy -0.006880 0.001130 -0.000143 0.026503 0.012770 0.000368 1Rh 4dz2 -0.083139 -0.064555 0.018590 0.017591 0.011161 0.013661 1Rh 4dxz -0.041626 -0.019288 -0.046660 -0.014545 -0.030994 0.017829 1Rh 4dyz 0.031166 0.001665 -0.021794 -0.013795 -0.010504 0.024620 1Rh 4dx2y2 -0.020274 -0.066709 -0.014293 -0.015288 -0.027056 -0.021126 1Rh 4dxy -0.002074 -0.017550 0.014955 0.045380 0.033474 -0.001338 1Rh 5dz2 0.150042 0.191436 0.061071 -0.056105 -0.034058 -0.110584 1Rh 5dxz 0.097676 0.063847 0.142297 0.000108 0.045237 -0.066874 1Rh 5dyz -0.021719 0.061658 0.082363 -0.006524 0.033188 -0.087604 1Rh 5dx2y2 0.055259 0.199757 -0.104002 0.020254 0.049598 0.045561 1Rh 5dxy -0.060635 0.083098 -0.055052 -0.048518 -0.061026 -0.027074 1Rh 1f0 -0.002005 -0.010129 -0.005249 -0.002613 0.004864 0.006571 1Rh 1f+1 -0.000892 0.005536 0.009296 0.008119 0.001914 -0.002811 1Rh 1f-1 0.009541 -0.000215 0.000914 -0.005240 -0.002984 0.004015 1Rh 1f+2 0.005708 -0.001763 -0.004357 0.001180 0.002125 -0.000214 1Rh 1f-2 -0.010971 0.003720 0.005792 -0.003547 0.002303 -0.009626 1Rh 1f+3 0.001053 -0.006616 0.006113 0.008420 -0.004123 0.003875 1Rh 1f-3 0.011577 -0.010888 0.007384 -0.004102 0.003913 -0.005817 2C 1s 0.003800 0.003398 -0.011120 0.006412 0.001435 0.003772 2C 2s 0.011272 0.008022 -0.028726 0.014014 0.002288 0.009763 2C 3s -0.049607 0.002656 0.065930 0.022553 0.031966 -0.020711 2C 4s 0.270696 -0.202264 -0.000487 -0.385130 -0.198127 0.084214 2C 5s -3.528488 1.107112 1.351874 3.220029 2.352455 -4.085350 2C 1pz 0.004728 -0.023106 -0.001592 0.014621 -0.004056 0.028357 2C 1px -0.042388 0.019358 0.008726 0.025523 0.008024 0.002865 2C 1py 0.006723 0.035313 -0.008586 0.021231 0.061152 -0.015461 2C 2pz 0.048512 -0.103457 -0.106046 0.045262 -0.007977 0.097659 2C 2px -0.127001 0.045468 -0.071089 0.109611 0.008555 0.027383 2C 2py 0.140596 0.184013 -0.128185 0.090871 0.215594 -0.025495 2C 3pz -0.931398 0.363246 0.480976 0.634454 0.612859 -1.282619 2C 3px 0.310855 -0.039226 -0.463007 0.078146 -0.003147 -0.247271 2C 3py -0.449716 -0.313788 0.442195 0.302761 -0.017318 -0.409645 2C 1dz2 0.000551 0.003004 -0.002891 0.000814 0.001755 -0.002092 2C 1dxz 0.000074 0.002848 0.002233 0.000610 0.000071 -0.002602 2C 1dyz -0.001765 -0.001713 0.001629 -0.000498 -0.000679 -0.001871 2C 1dx2y2 0.001290 0.001567 0.002745 -0.000954 0.001046 -0.001257 2C 1dxy 0.000254 -0.002711 0.001945 -0.000188 -0.000505 0.000819 2C 2dz2 0.057981 0.124735 0.038957 0.061345 0.134501 -0.086791 2C 2dxz 0.035183 -0.010367 -0.107644 -0.021288 0.044154 0.036810 2C 2dyz -0.003508 -0.057325 -0.100619 0.045259 -0.033066 0.057183 2C 2dx2y2 0.048238 0.056171 -0.036640 -0.026264 0.046795 -0.021292 2C 2dxy 0.040420 0.102612 -0.092126 -0.015207 0.025395 -0.025193 2C 1f0 -0.004494 -0.003687 0.005940 -0.000448 0.004530 -0.003205 2C 1f+1 -0.001865 -0.004692 -0.002136 0.000614 -0.000682 0.000623 2C 1f-1 0.000208 -0.001812 -0.000338 -0.001277 -0.000710 0.000422 2C 1f+2 0.001642 -0.001401 -0.007773 0.001539 0.003438 0.002188 2C 1f-2 -0.000771 -0.002163 0.001458 -0.004619 -0.000181 -0.002974 2C 1f+3 0.005191 0.004666 -0.009745 0.005486 0.005296 0.002090 2C 1f-3 0.000001 0.002278 0.001354 0.003094 -0.000370 0.000129 3C 1s -0.009330 0.001576 -0.004686 -0.011397 0.007937 0.004410 3C 2s -0.024753 0.003194 -0.010953 -0.029243 0.017867 0.011650 3C 3s 0.048769 0.012171 -0.007698 0.054821 0.005708 -0.014273 3C 4s -0.271695 0.043721 0.330487 0.130456 -0.228615 -0.139120 3C 5s 9.973726 -3.516853 -2.001316 0.909253 5.902394 -1.474558 3C 1pz -0.041241 -0.007917 0.016570 -0.033999 0.019765 0.016044 3C 1px 0.017597 -0.010589 -0.045148 0.002773 0.008046 0.005985 3C 1py 0.025878 -0.046677 -0.010051 -0.021573 -0.064239 0.010685 3C 2pz -0.242727 -0.100009 0.076395 -0.126262 0.114830 0.032724 3C 2px 0.072125 -0.027378 -0.212027 -0.077742 0.078061 0.064025 3C 2py 0.117677 -0.173236 -0.051923 0.020760 -0.309591 0.045859 3C 3pz 1.417141 -0.040104 -0.076205 1.077369 0.512326 -0.770847 3C 3px 1.149238 -0.262534 0.073752 -0.492192 0.859543 -0.011169 3C 3py -2.546964 1.225147 0.390644 -0.093792 -1.243640 0.477332 3C 1dz2 0.000119 0.001379 -0.001421 -0.000590 0.000576 -0.000103 3C 1dxz 0.003980 0.000764 0.000286 0.000375 0.001585 -0.001298 3C 1dyz -0.004600 -0.002046 0.000626 -0.000777 -0.001476 0.002341 3C 1dx2y2 -0.004595 0.005939 0.004330 0.002296 -0.001631 -0.000753 3C 1dxy -0.001749 0.003406 -0.004425 -0.001631 -0.001435 0.000262 3C 2dz2 0.088665 0.170990 0.017281 0.066134 0.012050 -0.064614 3C 2dxz -0.058754 0.028265 0.001393 0.049129 0.041384 -0.042845 3C 2dyz -0.032573 -0.003519 0.029200 0.089922 -0.118445 -0.015595 3C 2dx2y2 0.032213 0.014168 -0.030772 0.001776 -0.029774 -0.000010 3C 2dxy 0.014386 -0.068926 0.060007 0.055556 -0.084414 0.003373 3C 1f0 0.004662 0.000855 0.001210 0.007403 -0.004326 -0.002515 3C 1f+1 0.001843 -0.002158 -0.000230 0.002484 -0.000662 -0.000429 3C 1f-1 0.008958 0.003054 0.001202 0.002054 -0.004471 -0.000569 3C 1f+2 -0.009885 0.003584 -0.006654 -0.009645 0.006223 0.007003 3C 1f-2 -0.007110 0.002151 0.000107 -0.005029 0.001039 0.002774 3C 1f+3 0.000357 0.004801 -0.000177 0.000086 0.005282 -0.001954 3C 1f-3 -0.002301 -0.003222 -0.001305 0.000412 -0.002581 0.001685 4C 1s 0.008593 -0.006777 0.004586 -0.002584 -0.001938 -0.006237 4C 2s 0.020387 -0.015326 0.011083 -0.004638 -0.003702 -0.015789 4C 3s -0.093808 0.072409 -0.103206 -0.074193 -0.083133 0.120990 4C 4s 0.109933 -0.288800 0.530989 0.821148 0.832182 -0.561732 4C 5s 2.776191 -1.407639 -0.411870 -1.472206 -0.690023 1.503501 4C 1pz -0.065631 0.024742 -0.015492 -0.034604 0.015247 0.028684 4C 1px 0.025208 -0.032701 0.125766 -0.029886 0.001541 -0.033794 4C 1py -0.011451 0.002168 0.072110 -0.041034 -0.056879 0.035755 4C 2pz 0.119770 -0.170629 -0.061471 -0.015215 0.070347 0.046273 4C 2px -0.028735 0.096576 0.231063 0.281369 0.139540 -0.177157 4C 2py 0.128293 0.065332 0.073938 0.117592 0.127002 -0.077986 4C 3pz -0.885967 -0.145702 0.244042 1.459233 1.192531 -2.237570 4C 3px -0.525374 0.178341 0.639226 0.755432 0.418599 -0.486560 4C 3py -0.796521 0.453569 0.042516 1.288862 1.047668 -1.881276 4C 1dz2 -0.002642 0.001423 0.001099 -0.003752 -0.007710 0.003528 4C 1dxz -0.007308 0.006638 0.006742 0.003377 -0.000778 0.000680 4C 1dyz -0.004919 -0.002985 0.005578 0.002369 0.008524 -0.004490 4C 1dx2y2 0.011497 -0.002073 -0.001888 0.007827 -0.001284 0.002121 4C 1dxy -0.002245 0.001752 0.005749 0.008792 0.003978 -0.005893 4C 2dz2 -0.081650 -0.164056 -0.003733 -0.085106 -0.126635 0.075213 4C 2dxz -0.114088 0.001792 -0.177120 0.057403 -0.074733 0.060473 4C 2dyz 0.057013 0.121584 -0.065228 0.043137 0.031674 -0.023631 4C 2dx2y2 -0.050488 -0.224905 0.114638 0.031342 0.055035 -0.004493 4C 2dxy 0.034936 0.052481 -0.040632 0.113335 0.095684 -0.074788 4C 1f0 -0.004425 -0.001443 -0.007618 -0.002510 -0.009204 0.005280 4C 1f+1 -0.009353 0.007037 -0.005278 -0.004986 -0.013977 0.005837 4C 1f-1 -0.001643 -0.000864 -0.004181 -0.005281 -0.003901 0.002480 4C 1f+2 0.003535 -0.013812 0.012499 -0.000093 0.004879 -0.001229 4C 1f-2 -0.001443 -0.000486 -0.001560 0.003791 0.002961 -0.001052 4C 1f+3 0.004731 -0.000526 0.004511 -0.002193 -0.002961 0.001471 4C 1f-3 -0.004275 -0.000260 -0.003277 -0.014315 -0.007347 0.005744 5C 1s 0.000041 0.000006 0.001304 0.007301 -0.007479 -0.006321 5C 2s -0.000056 -0.000421 0.001911 0.017157 -0.016779 -0.015498 5C 3s 0.071075 -0.034470 0.013382 -0.127733 -0.083052 0.157426 5C 4s -0.086051 0.282922 -0.124490 0.575054 1.523168 -1.002007 5C 5s -7.042026 2.509499 1.244380 0.421418 -2.322314 -0.265693 5C 1pz -0.012215 -0.000273 -0.016403 0.071118 -0.018021 -0.010182 5C 1px -0.025427 0.038018 0.138187 -0.003992 -0.011200 0.037656 5C 1py 0.006804 -0.006413 -0.000012 -0.015974 0.092812 -0.038819 5C 2pz -0.320721 -0.049200 0.069951 0.066517 0.123337 -0.067167 5C 2px 0.174009 0.164293 -0.158867 -0.036629 0.015265 -0.079630 5C 2py 0.295649 -0.128244 -0.056425 -0.072447 -0.220265 0.180773 5C 3pz 2.756163 -1.454647 -0.571268 -0.579474 2.564850 -0.218441 5C 3px 1.431769 -0.816808 -0.334631 1.118442 1.007055 -1.259236 5C 3py -4.585427 1.558054 0.557805 -0.438258 -4.280688 1.461619 5C 1dz2 0.002733 0.001152 0.003587 -0.004009 -0.007979 0.007787 5C 1dxz 0.007999 -0.001850 0.000850 0.003154 -0.006200 0.001293 5C 1dyz -0.005804 -0.002848 -0.003463 -0.003740 -0.009836 0.004815 5C 1dx2y2 -0.003373 0.002105 -0.005088 -0.005968 0.001815 -0.003753 5C 1dxy -0.012240 -0.000438 0.004084 -0.005749 0.001405 0.004009 5C 2dz2 -0.094303 -0.206805 0.045383 -0.085064 -0.123675 0.099451 5C 2dxz 0.078486 -0.165438 -0.158909 -0.156137 -0.128047 0.152256 5C 2dyz 0.158901 0.150562 -0.032807 0.061103 -0.033863 -0.047911 5C 2dx2y2 -0.113128 -0.004442 -0.067026 0.151829 0.099320 -0.096197 5C 2dxy -0.148007 -0.020891 0.238288 0.126170 0.024999 -0.092541 5C 1f0 0.010499 0.000098 -0.007760 -0.004417 -0.006873 0.004269 5C 1f+1 0.005533 -0.006427 0.009508 -0.006313 -0.010331 0.007344 5C 1f-1 0.006562 0.008609 -0.002788 0.001008 0.002636 -0.002683 5C 1f+2 -0.005565 -0.001917 0.004356 0.005779 0.000271 -0.001517 5C 1f-2 -0.018867 0.006199 0.012260 0.012351 0.010452 -0.012100 5C 1f+3 0.007626 -0.008086 0.007633 -0.007153 -0.009429 0.010469 5C 1f-3 -0.014501 0.008914 0.003418 0.009234 0.012755 -0.011088 6C 1s 0.000006 -0.000565 -0.001527 -0.007480 0.001974 -0.009778 6C 2s -0.000113 -0.001758 -0.002424 -0.017547 0.003602 -0.023075 6C 3s 0.072364 -0.022592 -0.011508 0.131664 0.162145 0.077420 6C 4s -0.098697 0.217102 0.114939 -0.602323 -1.814352 0.139673 6C 5s -7.072743 2.447113 -1.214367 -0.558304 1.676399 -1.696775 6C 1pz 0.012414 0.005381 -0.016475 0.070621 -0.008663 0.018825 6C 1px 0.028131 -0.036287 0.138061 -0.003253 -0.034202 -0.030704 6C 1py -0.005372 0.007170 0.000577 -0.015619 0.097793 -0.025478 6C 2pz 0.326635 0.059430 0.063181 0.061038 0.134181 -0.020366 6C 2px -0.185165 -0.167320 -0.151312 -0.024597 0.066060 0.059578 6C 2py -0.301904 0.119642 -0.056445 -0.081499 -0.283525 -0.008716 6C 3pz -2.748449 1.423420 -0.572082 -0.654754 2.183734 -1.381305 6C 3px -1.445146 0.905272 -0.329118 1.099289 1.540165 0.363060 6C 3py 4.563201 -1.633385 0.527081 -0.383544 -4.311804 1.462430 6C 1dz2 0.002594 0.001403 -0.003587 0.004035 0.010903 0.000815 6C 1dxz 0.008141 -0.002070 -0.000899 -0.002947 0.005768 -0.002821 6C 1dyz -0.005430 -0.002284 0.003661 0.003931 0.010743 -0.002110 6C 1dx2y2 -0.003076 0.002457 0.005026 0.005646 -0.003990 -0.002148 6C 1dxy -0.012591 -0.000067 -0.003894 0.005992 0.001245 0.003948 6C 2dz2 -0.092759 -0.198220 -0.037788 0.100780 0.163579 0.005397 6C 2dxz 0.085413 -0.149657 0.162739 0.169109 0.191636 0.034580 6C 2dyz 0.158143 0.146720 0.024836 -0.072267 -0.005121 -0.059341 6C 2dx2y2 -0.114258 -0.017905 0.067888 -0.150446 -0.136917 -0.026012 6C 2dxy -0.155320 -0.036165 -0.235024 -0.124884 -0.067216 -0.047512 6C 1f0 -0.010803 -0.000680 -0.007556 -0.004432 -0.007720 0.001200 6C 1f+1 -0.005416 0.006004 0.009378 -0.006709 -0.012786 0.000184 6C 1f-1 -0.006642 -0.008575 -0.002430 0.001713 0.003935 0.000444 6C 1f+2 0.005610 0.002405 0.004236 0.005611 0.000800 0.000445 6C 1f-2 0.019434 -0.004915 0.012203 0.012775 0.015269 0.002700 6C 1f+3 -0.007642 0.007419 0.007471 -0.007753 -0.014056 -0.003339 6C 1f-3 0.014684 -0.007723 0.003476 0.009853 0.016886 0.001321 7C 1s 0.008466 -0.006711 -0.004684 0.002803 -0.002423 -0.006567 7C 2s 0.020053 -0.015326 -0.011336 0.005133 -0.007029 -0.015827 7C 3s -0.090475 0.078701 0.104364 0.069724 0.137176 0.045227 7C 4s 0.094013 -0.338188 -0.535123 -0.796546 -0.974992 0.116099 7C 5s 2.801342 -1.211674 0.484485 1.609467 1.468818 0.664332 7C 1pz 0.064592 -0.027098 -0.016498 -0.033138 -0.003791 -0.026276 7C 1px -0.023772 0.033182 0.125859 -0.032945 0.018618 0.019657 7C 1py 0.011269 -0.004519 0.070895 -0.041636 -0.068010 0.005719 7C 2pz -0.120579 0.160352 -0.067271 -0.028719 0.021583 -0.086498 7C 2px 0.035236 -0.064674 0.237054 0.281888 0.212586 0.048471 7C 2py -0.125244 -0.056526 0.077196 0.119174 0.145830 -0.020947 7C 3pz 0.929211 0.267392 0.301657 1.473786 2.295114 0.885121 7C 3px 0.532321 -0.091828 0.647720 0.789098 0.609963 0.092858 7C 3py 0.833700 -0.338871 0.116768 1.356524 1.990288 0.746787 7C 1dz2 -0.002564 0.001908 -0.001035 0.003627 0.008254 -0.002073 7C 1dxz -0.007496 0.005936 -0.006867 -0.003858 0.000974 -0.000105 7C 1dyz -0.005062 -0.003234 -0.005573 -0.002268 -0.009337 0.001976 7C 1dx2y2 0.011563 -0.002374 0.001752 -0.007588 0.002360 0.001164 7C 1dxy -0.002419 0.000921 -0.005839 -0.009014 -0.006568 -0.001838 7C 2dz2 -0.079762 -0.157953 0.010190 0.096249 0.150589 -0.013410 7C 2dxz -0.110750 -0.002598 0.178846 -0.053727 0.093884 -0.006573 7C 2dyz 0.056393 0.115938 0.059967 -0.050371 -0.041578 0.000146 7C 2dx2y2 -0.052964 -0.224807 -0.108227 -0.014225 -0.039635 0.033120 7C 2dxy 0.034473 0.045038 0.038943 -0.113681 -0.121783 -0.003692 7C 1f0 0.004215 0.001109 -0.007667 -0.002564 -0.010336 0.001829 7C 1f+1 0.009097 -0.007177 -0.005231 -0.004386 -0.014320 0.004061 7C 1f-1 0.001599 0.000461 -0.004272 -0.005280 -0.004607 0.000253 7C 1f+2 -0.003367 0.013690 0.012115 -0.001069 0.004046 -0.002571 7C 1f-2 0.001520 0.000858 -0.001570 0.003586 0.002890 -0.001051 7C 1f+3 -0.004718 0.000362 0.004597 -0.002089 -0.003252 0.000362 7C 1f-3 0.004073 -0.000701 -0.003399 -0.014069 -0.009160 -0.000142 8C 1s -0.009321 0.002448 0.004916 0.011390 -0.003659 0.007995 8C 2s -0.024715 0.005415 0.011553 0.029267 -0.007252 0.019239 8C 3s 0.049231 0.008449 0.006902 -0.055560 -0.012567 -0.006494 8C 4s -0.281672 0.024210 -0.333842 -0.135805 0.095251 -0.250165 8C 5s 9.996550 -3.574063 1.955553 -0.746365 -5.580270 2.504569 8C 1pz 0.041909 0.006391 0.015262 -0.035082 0.005553 -0.023200 8C 1px -0.019488 0.010516 -0.045358 0.002778 0.002980 -0.008094 8C 1py -0.027582 0.044290 -0.010513 -0.024026 -0.057096 0.031535 8C 2pz 0.246163 0.094653 0.068174 -0.135089 0.067908 -0.086942 8C 2px -0.078778 0.020738 -0.212815 -0.077619 0.026991 -0.087648 8C 2py -0.126010 0.169996 -0.053172 0.010695 -0.273423 0.152191 8C 3pz -1.415445 0.124827 -0.050856 1.086520 0.870370 0.269822 8C 3px -1.144528 0.240746 0.078980 -0.511465 0.704126 -0.533084 8C 3py 2.549390 -1.232701 0.376616 -0.041853 -1.276826 0.392355 8C 1dz2 0.000142 0.001419 0.001386 0.000505 -0.000582 0.000252 8C 1dxz 0.004028 0.000714 -0.000373 -0.000539 -0.002073 0.000048 8C 1dyz -0.004559 -0.001968 -0.000462 0.000978 0.002657 0.000953 8C 1dx2y2 -0.004695 0.005661 -0.004413 -0.002668 0.000915 -0.001330 8C 1dxy -0.001679 0.003649 0.004339 0.001387 0.001158 -0.000973 8C 2dz2 0.088390 0.167192 -0.023396 -0.081045 -0.048807 -0.034472 8C 2dxz -0.062113 0.023780 -0.001800 -0.049437 -0.057858 -0.007949 8C 2dyz -0.034180 -0.010718 -0.029415 -0.088689 0.085228 -0.087939 8C 2dx2y2 0.032046 0.017467 0.028625 -0.002599 0.021505 -0.016371 8C 2dxy 0.017062 -0.073888 -0.058266 -0.050915 0.073066 -0.039704 8C 1f0 -0.004778 -0.000362 0.001381 0.007546 -0.001976 0.004247 8C 1f+1 -0.001729 0.002325 -0.000329 0.002177 -0.000326 0.000323 8C 1f-1 -0.008862 -0.002837 0.001455 0.002264 -0.003021 0.003326 8C 1f+2 0.009733 -0.004317 -0.006863 -0.009540 0.000889 -0.008714 8C 1f-2 0.007181 -0.002577 -0.000143 -0.005068 -0.000796 -0.002798 8C 1f+3 -0.000091 -0.004801 -0.000058 0.000284 0.005528 -0.001675 8C 1f-3 0.002523 0.003051 -0.001380 0.000000 -0.002918 0.000429 9C 1s 0.003856 0.003156 0.011172 -0.006404 0.001285 0.004185 9C 2s 0.011433 0.007579 0.028839 -0.013981 0.004406 0.009862 9C 3s -0.050162 -0.000329 -0.065951 -0.022844 -0.037507 0.002506 9C 4s 0.272442 -0.165114 0.002518 0.392223 0.204571 -0.058298 9C 5s -3.609125 0.750317 -1.475530 -3.349222 -4.348395 -1.585943 9C 1pz -0.005383 0.022550 -0.003102 0.012297 -0.022352 -0.022087 9C 1px 0.043155 -0.016487 0.008156 0.026427 0.004606 -0.006180 9C 1py -0.005403 -0.033849 -0.007293 0.023159 0.058121 -0.026180 9C 2pz -0.050119 0.099599 -0.111895 0.035384 -0.074000 -0.085945 9C 2px 0.129198 -0.037002 -0.072126 0.109547 -0.008394 -0.021971 9C 2py -0.136083 -0.179522 -0.121566 0.101536 0.188493 -0.116575 9C 3pz 0.956556 -0.283111 0.527462 0.684189 1.273429 0.586530 9C 3px -0.310109 0.029999 -0.440885 0.077534 0.155948 0.162645 9C 3py 0.454185 0.345685 0.435557 0.301933 0.235392 0.312026 9C 1dz2 0.000556 0.002899 0.002723 -0.001062 -0.002790 -0.000663 9C 1dxz 0.000039 0.002698 -0.002322 -0.000894 -0.001622 -0.001705 9C 1dyz -0.001805 -0.001656 -0.001607 0.000543 -0.000580 -0.001770 9C 1dx2y2 0.001302 0.001647 -0.002750 0.000846 -0.001549 -0.000312 9C 1dxy 0.000249 -0.002705 -0.001991 0.000396 0.000945 0.000376 9C 2dz2 0.055196 0.117892 -0.043607 -0.070488 -0.160053 0.021007 9C 2dxz 0.037042 -0.004436 0.108024 0.022407 -0.014315 0.050709 9C 2dyz -0.003133 -0.058033 0.101849 -0.039738 0.061630 0.028227 9C 2dx2y2 0.046434 0.054446 0.032609 0.022422 -0.052834 0.008386 9C 2dxy 0.042674 0.105582 0.091550 0.008919 -0.037598 -0.004489 9C 1f0 0.004671 0.003851 0.005914 -0.000612 0.005598 -0.000305 9C 1f+1 0.001849 0.004526 -0.002178 0.000225 -0.000943 -0.000088 9C 1f-1 -0.000185 0.001727 -0.000444 -0.001233 -0.000905 -0.000222 9C 1f+2 -0.001805 0.001275 -0.008133 0.001422 0.001172 -0.003916 9C 1f-2 0.000666 0.001832 0.001308 -0.004611 0.001829 0.002697 9C 1f+3 -0.005210 -0.004422 -0.009621 0.005422 0.002898 -0.005029 9C 1f-3 -0.000122 -0.002235 0.001110 0.003471 -0.000227 -0.000260 10H 1s 0.012824 -0.006388 -0.003392 0.003423 0.005442 0.009505 10H 2s 0.332406 -0.034501 -0.310925 0.005950 0.075472 0.223764 10H 3s -0.202425 -0.062210 0.478548 -0.279046 -0.175441 0.094638 10H 1pz 0.006032 0.003025 -0.021290 -0.001542 0.000597 0.006221 10H 1px -0.004455 -0.001125 0.000204 -0.001046 -0.007771 -0.000860 10H 1py 0.012465 0.007570 -0.014969 0.000182 0.005072 0.005207 11H 1s 0.004439 0.010527 -0.019140 0.013516 0.005599 0.008904 11H 2s 0.070345 0.019858 -0.374936 0.192206 -0.078157 0.242638 11H 3s 0.492397 0.034262 -0.269453 -0.354404 -0.039680 -0.099491 11H 1pz -0.009387 -0.017984 -0.004468 0.000572 -0.011216 0.011038 11H 1px -0.002351 0.004106 -0.008751 0.011505 -0.000973 0.001156 11H 1py -0.000279 -0.011277 0.003321 -0.003997 -0.003462 0.005351 12H 1s 0.006595 0.001677 -0.025075 0.013763 0.007068 0.019656 12H 2s 0.253891 0.203684 -0.409427 0.241277 0.223496 0.204171 12H 3s 0.461144 -0.606270 -0.034332 -0.473159 -0.586429 0.341528 12H 1pz 0.008536 0.013554 0.007110 -0.002920 0.001680 -0.007066 12H 1px 0.001123 0.001070 -0.007950 0.009331 0.001859 0.002792 12H 1py 0.015433 0.019919 -0.006643 0.010669 0.015752 -0.001519 13H 1s -0.034195 0.021829 0.009545 -0.015650 0.019142 0.003825 13H 2s -0.799521 0.240693 0.135056 -0.286156 0.260188 0.083264 13H 3s -0.425535 0.208580 0.155732 0.843055 -0.804049 -0.336859 13H 1pz -0.025215 -0.004126 -0.002493 -0.005477 0.004018 0.002768 13H 1px 0.010967 -0.007777 -0.005247 -0.002143 -0.005785 0.002330 13H 1py 0.016951 0.004981 0.003399 0.009080 -0.004004 -0.004040 14H 1s -0.025775 0.016284 -0.005352 -0.011447 0.020926 -0.000723 14H 2s -0.500624 0.095003 -0.159695 -0.406780 0.237017 0.192078 14H 3s -0.298502 0.440100 0.459368 0.090833 -0.342067 -0.214218 14H 1pz -0.019825 -0.010487 0.000332 -0.008203 -0.004193 0.009405 14H 1px -0.001741 -0.000904 -0.011929 -0.017922 0.008551 0.011350 14H 1py 0.011128 0.010151 -0.001214 0.005969 0.006573 -0.009056 15H 1s -0.020125 0.002133 -0.006087 -0.013293 0.026129 0.007880 15H 2s -0.377822 0.204770 -0.129353 -0.321616 0.377603 0.149407 15H 3s -0.424275 -0.317657 0.245452 -0.650203 -0.314255 0.127358 15H 1pz -0.002265 0.014079 0.007477 0.009993 -0.014987 -0.005271 15H 1px 0.003289 0.003984 -0.004369 -0.004869 -0.000692 0.001472 15H 1py 0.002908 -0.024978 0.004369 0.008511 -0.003901 -0.004291 16H 1s -0.023883 0.030977 -0.009941 -0.026634 0.003695 0.016747 16H 2s -0.104828 -0.030804 -0.227407 0.063161 -0.128207 -0.127563 16H 3s 0.349673 -0.662512 -0.419110 0.314369 -0.521119 -0.455228 16H 1pz 0.012124 -0.016087 -0.015979 0.017294 -0.001744 -0.014871 16H 1px -0.004426 0.010425 -0.007501 -0.019031 -0.003258 0.008742 16H 1py -0.003799 -0.012375 -0.010768 0.007590 -0.019524 -0.009539 17H 1s 0.012153 -0.006611 0.009177 -0.015403 0.009778 0.032167 17H 2s -0.145606 -0.137535 -0.004758 0.214273 -0.163346 -0.229856 17H 3s 0.017399 0.005318 -0.079169 0.836528 -0.040894 -1.112644 17H 1pz -0.002308 0.006698 -0.003390 -0.013558 0.003657 0.009491 17H 1px 0.032928 0.002670 0.006931 -0.015041 0.033806 0.027160 17H 1py -0.007109 -0.008798 -0.005573 0.021772 -0.005021 -0.023732 18H 1s 0.010896 -0.005432 -0.008306 0.017240 0.012394 0.030942 18H 2s -0.149695 -0.151805 0.008447 -0.206668 -0.006421 -0.288537 18H 3s 0.023671 -0.055810 0.053578 -0.863313 -0.654655 -0.914382 18H 1pz 0.001739 -0.008306 -0.003250 -0.013990 -0.003251 -0.010745 18H 1px -0.032176 -0.003988 0.007113 -0.016057 0.010258 -0.042695 18H 1py 0.006667 0.010020 -0.005298 0.021027 0.010515 0.021474 19H 1s -0.023756 0.032995 0.009976 0.024514 0.007566 0.014595 19H 2s -0.101215 -0.017147 0.227442 -0.059859 0.027983 -0.180166 19H 3s 0.366749 -0.670443 0.419117 -0.279450 0.128717 -0.680832 19H 1pz -0.012319 0.015264 -0.015744 0.015475 0.007440 0.011587 19H 1px 0.003988 -0.011185 -0.007317 -0.017870 -0.007426 -0.004283 19H 1py 0.003098 0.012484 -0.011129 0.007472 -0.009531 0.020008 20H 1s -0.020576 0.002746 0.006641 0.013479 -0.015933 0.021246 20H 2s -0.380303 0.225715 0.134647 0.311483 -0.213141 0.340908 20H 3s -0.428354 -0.275512 -0.240730 0.666851 0.319623 -0.102127 20H 1pz 0.002349 -0.013376 0.007882 0.010931 -0.008758 0.013106 20H 1px -0.003712 -0.004282 -0.004498 -0.004648 -0.001424 -0.001208 20H 1py -0.002812 0.025889 0.003852 0.006821 -0.000875 0.006218 21H 1s -0.025954 0.016747 0.005483 0.010396 -0.017146 0.011576 21H 2s -0.495976 0.118770 0.170828 0.403185 -0.074413 0.275863 21H 3s -0.310475 0.421288 -0.469517 -0.116621 0.133737 -0.365070 21H 1pz 0.019621 0.009944 -0.000618 -0.009318 -0.009360 -0.004242 21H 1px 0.001072 -0.000284 -0.012314 -0.017882 0.000213 -0.013358 21H 1py -0.011169 -0.009745 -0.000816 0.006758 0.010835 0.002831 22H 1s -0.034961 0.022544 -0.009421 0.014605 -0.012672 0.014465 22H 2s -0.812949 0.257028 -0.126083 0.278403 -0.155258 0.208434 22H 3s -0.425884 0.143839 -0.165874 -0.861963 0.441880 -0.755121 22H 1pz 0.025278 0.003662 -0.003070 -0.005984 0.001635 -0.003250 22H 1px -0.011471 0.007610 -0.005203 -0.002441 -0.005784 0.001636 22H 1py -0.017169 -0.004123 0.003902 0.009624 -0.000930 0.004957 23H 1s 0.006745 0.001790 0.025427 -0.013354 0.006488 0.020301 23H 2s 0.252838 0.198474 0.407957 -0.244805 -0.054454 0.304642 23H 3s 0.474892 -0.551723 0.053512 0.502930 0.674533 -0.099383 23H 1pz -0.008456 -0.013480 0.007540 -0.002171 0.005600 0.004296 23H 1px -0.000933 -0.000427 -0.007570 0.009035 -0.000218 -0.003456 23H 1py -0.015156 -0.019084 -0.006099 0.011763 0.013688 -0.008497 24H 1s 0.004562 0.010336 0.019364 -0.013922 0.001270 0.011590 24H 2s 0.074497 0.020682 0.382149 -0.185951 0.216185 0.159788 24H 3s 0.492863 0.068647 0.248423 0.349231 -0.037916 -0.097240 24H 1pz 0.009079 0.017715 -0.005173 -0.001097 -0.016158 -0.001843 24H 1px 0.002346 -0.003528 -0.008717 0.011746 -0.001396 -0.000744 24H 1py 0.000218 0.010795 0.002881 -0.004563 -0.005918 -0.001408 25H 1s 0.012874 -0.005934 0.003849 -0.002480 0.002230 0.012031 25H 2s 0.337442 -0.019907 0.318401 0.004935 0.088716 0.235981 25H 3s -0.203420 -0.046424 -0.464642 0.274267 0.189083 -0.064536 25H 1pz -0.006329 -0.003523 -0.021525 -0.001468 -0.003423 -0.005133 25H 1px 0.004623 0.001183 0.000493 -0.000925 -0.005105 0.005777 25H 1py -0.012522 -0.007703 -0.014749 0.000503 0.000956 -0.006720 26O 1s 0.003111 0.000581 -0.000246 -0.001640 -0.003115 0.000525 26O 2s 0.006088 0.000961 -0.000690 -0.004675 -0.007506 0.000932 26O 3s 0.015943 0.006034 0.006861 0.021296 0.014561 0.001834 26O 4s -0.169242 -0.057334 0.002112 0.017183 0.072459 -0.081038 26O 5s 0.265124 0.227271 -0.384179 -0.962683 -0.943741 0.934680 26O 1pz 0.036733 -0.005734 -0.026920 0.016482 0.016963 0.006310 26O 1px -0.050941 0.020405 0.059356 -0.069345 -0.030079 0.011155 26O 1py 0.012803 0.007394 -0.030441 0.009933 -0.015579 -0.002384 26O 2pz 0.069922 -0.005750 -0.118755 0.044802 0.041128 -0.010142 26O 2px -0.070969 0.027937 0.130519 -0.048571 0.012412 -0.025814 26O 2py 0.037634 0.009809 -0.115461 0.065580 0.017776 -0.022754 26O 3pz 0.044257 0.063930 0.835275 -0.160241 0.002108 0.132165 26O 3px 0.263542 0.025741 0.136972 0.867058 0.655732 -0.571328 26O 3py -0.164301 -0.310682 0.839646 0.106552 0.143061 -0.057158 26O 1dz2 -0.002394 -0.001130 -0.003450 -0.003053 -0.003430 0.000605 26O 1dxz 0.000819 -0.000002 0.005819 -0.000702 0.000633 -0.001402 26O 1dyz 0.001415 0.001559 0.000072 -0.000898 -0.000166 -0.001400 26O 1dx2y2 0.001192 0.002503 0.000778 0.006509 0.004091 -0.003977 26O 1dxy -0.001616 -0.004900 0.006250 0.002014 0.000653 0.000069 26O 2dz2 -0.001675 -0.006721 -0.010350 0.014504 0.008162 -0.011062 26O 2dxz 0.006180 -0.005366 -0.007054 -0.012883 -0.008382 0.003733 26O 2dyz 0.000030 0.011316 -0.026768 -0.004557 0.005674 0.007218 26O 2dx2y2 -0.023039 -0.001737 0.006458 -0.032695 -0.016354 0.007852 26O 2dxy -0.005281 -0.002680 -0.005113 -0.028348 -0.027529 0.026224 26O 1f0 0.000830 -0.000665 -0.000880 -0.000413 -0.000030 0.000139 26O 1f+1 -0.000009 0.000102 -0.000051 -0.002000 -0.000317 0.001151 26O 1f-1 -0.000551 0.000407 0.000471 -0.000885 0.000564 0.000938 26O 1f+2 0.000192 0.001813 -0.000327 -0.000166 0.001400 -0.000750 26O 1f-2 -0.000608 -0.000073 0.001575 0.000142 0.000902 -0.000151 26O 1f+3 -0.002517 -0.002021 0.000808 -0.001749 -0.001559 0.001711 26O 1f-3 -0.000793 0.000217 -0.000862 -0.002098 -0.002224 0.001890 27O 1s -0.000123 -0.002719 0.001253 -0.007647 -0.003058 0.008233 27O 2s 0.001044 -0.006793 0.003569 -0.018232 -0.006496 0.020045 27O 3s -0.027896 0.020137 -0.015587 0.025975 -0.003888 -0.035141 27O 4s 0.170487 -0.019698 0.015696 0.135455 0.197009 -0.134159 27O 5s -0.624991 -0.182283 0.447833 -0.816407 -1.471244 0.938328 27O 1pz 0.014792 -0.002329 -0.031225 -0.046694 0.032796 0.012091 27O 1px -0.003550 -0.011300 0.075104 -0.001295 -0.052171 0.031987 27O 1py 0.019834 0.000425 -0.009897 0.021368 -0.050361 0.013235 27O 2pz 0.063792 -0.014260 -0.107877 -0.154740 0.087738 0.059397 27O 2px -0.008591 0.042039 0.037183 0.045914 -0.033039 0.005312 27O 2py 0.002167 0.008391 0.047440 0.070744 -0.170215 0.022753 27O 3pz -0.457705 0.440189 0.561801 0.707873 -0.487857 -0.402377 27O 3px 0.075323 0.356241 -0.329825 0.441236 0.893005 -0.926512 27O 3py 0.619923 -0.276893 -0.454132 -0.600177 0.674036 0.336489 27O 1dz2 -0.001787 -0.004134 0.000394 -0.001517 -0.003109 0.002133 27O 1dxz -0.000970 0.004248 0.004574 0.004779 -0.001454 -0.002423 27O 1dyz -0.001366 0.002008 0.000862 0.001357 -0.000479 -0.001298 27O 1dx2y2 0.001098 0.004048 -0.000496 -0.000277 0.006097 -0.002850 27O 1dxy 0.003093 0.000382 -0.003203 -0.003437 0.002439 0.000216 27O 2dz2 -0.009860 -0.000016 -0.020729 0.005809 0.015458 -0.018553 27O 2dxz -0.008322 0.002948 -0.006946 -0.011060 0.008031 -0.002681 27O 2dyz 0.002058 0.002454 0.031239 0.012126 0.008346 -0.007124 27O 2dx2y2 -0.008150 -0.017878 0.033497 -0.005163 -0.032196 0.031794 27O 2dxy 0.009709 0.010395 -0.012474 0.026019 0.012703 -0.019319 27O 1f0 -0.000624 -0.001870 -0.000485 -0.001460 0.000537 0.000411 27O 1f+1 0.000508 -0.000318 0.001357 -0.001008 -0.000591 0.002408 27O 1f-1 -0.000276 -0.000390 0.000145 0.000241 -0.000364 -0.000506 27O 1f+2 0.001275 0.000685 0.000805 0.001175 0.000063 -0.000308 27O 1f-2 0.000104 -0.001663 -0.000585 -0.000758 -0.000405 0.001268 27O 1f+3 -0.000340 -0.001037 0.002168 -0.000473 -0.002156 0.002282 27O 1f-3 -0.000072 -0.000038 -0.001556 0.002985 -0.000641 -0.002356 28O 1s -0.000349 0.004224 -0.009337 -0.002134 -0.002729 0.002305 28O 2s -0.002209 0.010913 -0.021933 -0.003902 -0.006440 0.005064 28O 3s 0.025406 -0.031051 0.026078 -0.016786 0.009345 0.000422 28O 4s -0.069179 0.000502 0.148793 0.170017 0.062053 -0.092188 28O 5s -0.351918 0.469931 -0.281330 -0.356207 -0.457125 0.509107 28O 1pz -0.006967 0.008749 -0.040098 0.012444 0.010022 0.013614 28O 1px 0.090875 -0.058349 0.000911 0.001698 0.009836 -0.001988 28O 1py -0.015621 0.020443 -0.024767 0.015715 0.004619 -0.023439 28O 2pz 0.041388 -0.042791 -0.007888 0.026940 0.033789 0.023266 28O 2px 0.106007 -0.052766 -0.059197 0.026759 -0.007260 0.010218 28O 2py -0.038251 0.067618 -0.028565 0.050590 0.027076 -0.083722 28O 3pz 0.027284 -0.255500 -0.029108 -0.240299 0.137205 -0.098821 28O 3px -0.331777 0.505187 -0.059694 -0.138702 -0.249519 0.221143 28O 3py 0.132134 -0.502780 0.040658 -0.225824 -0.055351 0.440141 28O 1dz2 -0.000398 0.000901 0.001947 0.000878 0.000617 0.001348 28O 1dxz -0.000999 0.000998 0.002798 0.001096 -0.002045 -0.001300 28O 1dyz -0.000190 -0.000113 0.002441 -0.000597 -0.000546 -0.000734 28O 1dx2y2 0.000434 -0.003821 -0.002396 0.000295 0.000046 0.002154 28O 1dxy 0.000032 0.003752 -0.000395 0.001277 0.000807 -0.002069 28O 2dz2 -0.011970 -0.013603 -0.012703 -0.002181 -0.005053 0.005036 28O 2dxz 0.012342 -0.043038 0.025346 -0.005142 0.001873 -0.011522 28O 2dyz -0.012739 0.012642 0.011183 0.011053 -0.005620 -0.001895 28O 2dx2y2 -0.032114 0.000085 -0.002973 -0.005626 -0.015867 0.012412 28O 2dxy 0.000886 0.004894 0.021102 -0.001529 0.012875 -0.008912 28O 1f0 -0.000720 0.001998 -0.000407 -0.000567 0.001297 -0.000281 28O 1f+1 -0.000792 0.000705 -0.002640 0.000475 -0.000291 0.000767 28O 1f-1 -0.000456 -0.001339 -0.000432 -0.000031 0.000067 0.000935 28O 1f+2 0.002388 -0.001243 0.001269 -0.000230 0.001331 -0.002197 28O 1f-2 0.000017 0.001934 -0.001582 0.001101 0.000529 0.000295 28O 1f+3 0.001693 -0.000374 -0.000573 0.000309 0.000718 -0.000946 28O 1f-3 0.000535 0.000506 -0.001918 0.000799 -0.000272 0.000525 29O 1s -0.005027 0.004740 -0.002926 -0.006931 0.002137 0.009152 29O 2s -0.010662 0.010126 -0.006282 -0.015058 0.004544 0.020113 29O 3s -0.009210 0.005489 -0.005593 -0.005326 0.002740 0.004228 29O 4s 0.180120 -0.217380 0.093097 0.323048 -0.139578 -0.406851 29O 5s -0.207976 0.609822 0.039583 -0.967474 0.574823 1.197812 29O 1pz -0.055873 0.075925 0.070602 0.019519 0.035205 -0.007060 29O 1px -0.006200 -0.018227 -0.032843 0.074702 -0.036006 -0.131392 29O 1py 0.021365 0.040497 0.040450 -0.108390 0.062968 0.103634 29O 2pz -0.099155 0.165585 0.149712 0.051719 0.109721 -0.019169 29O 2px 0.001686 -0.036513 -0.073958 0.169090 -0.071860 -0.310215 29O 2py 0.059605 0.074020 0.084378 -0.201656 0.111373 0.214624 29O 3pz 0.304257 -0.489941 -0.629071 -0.227624 -0.408779 0.117370 29O 3px 0.078956 0.177537 0.300037 -0.646729 0.275974 1.139346 29O 3py -0.245680 -0.306275 -0.311574 0.716819 -0.406740 -0.859957 29O 1dz2 -0.000357 -0.000605 -0.003225 -0.000179 -0.001733 -0.001503 29O 1dxz -0.000926 -0.001213 0.000131 0.002588 -0.001379 -0.002728 29O 1dyz 0.001265 -0.001334 -0.004402 -0.001927 -0.001302 0.001018 29O 1dx2y2 0.000269 0.001108 0.002159 -0.001535 0.001147 0.002202 29O 1dxy 0.000893 0.001944 0.000938 -0.004436 0.002924 0.005777 29O 2dz2 -0.012554 0.007960 0.002646 -0.006563 -0.004457 -0.001989 29O 2dxz 0.014224 -0.004618 0.011924 0.001271 0.007808 0.006806 29O 2dyz -0.001600 0.008949 0.012215 0.000642 0.004120 0.003439 29O 2dx2y2 0.013279 -0.010273 -0.007386 0.006678 0.008149 0.007045 29O 2dxy -0.022795 -0.011568 -0.009062 0.016318 -0.018494 -0.032346 29O 1f0 -0.000125 -0.001215 -0.000107 0.002082 -0.000934 -0.001574 29O 1f+1 0.000729 0.000362 0.000438 -0.000250 0.001111 0.000403 29O 1f-1 0.000114 -0.001727 -0.000712 0.002069 -0.001000 -0.002029 29O 1f+2 -0.000764 0.000705 -0.000444 -0.001154 -0.000494 0.000392 29O 1f-2 -0.001865 -0.000398 -0.001076 0.000710 -0.001730 -0.001754 29O 1f+3 0.001197 -0.000039 -0.000133 -0.000264 0.000868 0.000629 29O 1f-3 0.000735 -0.000037 0.000220 -0.000598 0.000598 0.000841 30O 1s 0.003458 -0.006108 -0.004448 -0.003966 -0.002587 0.003502 30O 2s 0.009646 -0.014564 -0.010976 -0.009605 -0.006170 0.007857 30O 3s -0.044317 0.020000 0.024092 0.022011 0.009186 -0.006459 30O 4s 0.072288 0.089533 0.028106 0.014464 0.133611 -0.117027 30O 5s 0.456626 -0.122758 -0.570426 -0.242068 -1.684063 0.878383 30O 1pz 0.008362 -0.035312 -0.047955 -0.021977 -0.016560 0.040386 30O 1px -0.047027 -0.002305 0.036746 -0.033921 0.077590 -0.030961 30O 1py -0.024032 0.017466 0.047032 0.029397 -0.014009 0.013067 30O 2pz -0.079462 -0.087968 -0.013920 -0.028249 0.007757 0.038878 30O 2px 0.044209 -0.060845 -0.003308 -0.128032 0.109070 -0.009801 30O 2py 0.024813 0.015152 -0.013625 0.007685 -0.096754 0.102784 30O 3pz -0.063101 0.580889 0.125645 0.463606 0.440942 -0.403845 30O 3px 0.102413 0.386209 -0.324146 0.036471 -1.137535 0.518540 30O 3py 0.512005 -0.196482 0.019741 -0.309559 -0.126638 -0.128780 30O 1dz2 0.000986 0.002062 0.000385 0.001697 -0.001340 -0.000666 30O 1dxz 0.001467 -0.003707 -0.001150 -0.002384 -0.005667 0.004449 30O 1dyz 0.002587 0.000375 -0.001113 -0.003734 -0.000469 0.001777 30O 1dx2y2 -0.000713 -0.003210 0.000670 -0.003785 0.004620 -0.000842 30O 1dxy -0.006362 0.000036 0.000155 0.001632 0.003556 -0.001518 30O 2dz2 -0.024110 -0.011704 -0.006689 -0.003520 0.011704 -0.006965 30O 2dxz -0.034132 -0.014621 0.023876 0.004649 0.022031 -0.014355 30O 2dyz -0.014809 0.018380 0.014692 0.017426 0.032351 -0.023875 30O 2dx2y2 -0.009098 -0.006962 0.003109 0.009184 -0.012038 0.008185 30O 2dxy 0.021568 -0.008545 -0.030599 -0.018822 -0.027675 0.021396 30O 1f0 0.002639 -0.000144 -0.000691 -0.000348 -0.001093 0.000446 30O 1f+1 -0.000351 -0.001223 -0.001252 -0.001133 -0.000043 -0.000191 30O 1f-1 -0.001077 -0.002046 -0.000037 -0.001488 -0.000849 0.000709 30O 1f+2 -0.000471 -0.001281 0.000038 -0.000415 0.001274 -0.000979 30O 1f-2 -0.002037 0.000135 0.002097 0.001831 0.001732 -0.001513 30O 1f+3 0.000593 0.000784 -0.001646 -0.001595 0.000743 -0.000367 30O 1f-3 -0.001827 -0.000083 0.000633 0.000433 0.001388 -0.000928 31O 1s 0.003702 -0.005699 0.004580 0.004323 0.004046 0.001037 31O 2s 0.010261 -0.013560 0.011288 0.010434 0.009367 0.002104 31O 3s -0.045812 0.017546 -0.024398 -0.022760 -0.010944 0.000619 31O 4s 0.069966 0.087546 -0.029785 -0.022171 -0.174398 -0.006699 31O 5s 0.497895 -0.070150 0.557546 0.260848 1.857388 -0.344565 31O 1pz -0.010568 0.031375 -0.049603 -0.025679 -0.038464 -0.021467 31O 1px 0.048447 0.001449 0.035913 -0.033215 0.080187 -0.025051 31O 1py 0.025326 -0.014691 0.046893 0.029183 -0.020585 -0.004407 31O 2pz 0.077860 0.084473 -0.019324 -0.036915 -0.021938 -0.037908 31O 2px -0.045345 0.052472 -0.004481 -0.130403 0.093503 -0.061916 31O 2py -0.025342 -0.016149 -0.013147 0.004944 -0.139154 -0.022410 31O 3pz 0.083837 -0.533211 0.148144 0.510879 0.607600 0.057415 31O 3px -0.119156 -0.404661 -0.310583 0.053360 -1.205642 0.308314 31O 3py -0.527464 0.169480 0.019500 -0.305292 -0.023669 0.161703 31O 1dz2 0.000938 0.001900 -0.000483 -0.001812 0.000582 -0.001451 31O 1dxz 0.001655 -0.003425 0.001254 0.002723 0.007212 -0.000033 31O 1dyz 0.002665 0.000698 0.001072 0.003703 0.001396 0.001038 31O 1dx2y2 -0.000763 -0.002991 -0.000540 0.003996 -0.004144 0.002156 31O 1dxy -0.006511 -0.000137 -0.000062 -0.001589 -0.003674 0.000882 31O 2dz2 -0.024209 -0.011673 0.007162 0.004286 -0.013399 0.001543 31O 2dxz -0.035027 -0.016089 -0.023041 -0.003826 -0.025425 0.002580 31O 2dyz -0.016218 0.016409 -0.015151 -0.018733 -0.040166 0.000850 31O 2dx2y2 -0.009235 -0.007751 -0.002671 -0.008366 0.014901 -0.000981 31O 2dxy 0.022695 -0.006207 0.030586 0.019371 0.034063 -0.001716 31O 1f0 -0.002699 0.000082 -0.000659 -0.000324 -0.001138 0.000246 31O 1f+1 0.000303 0.001092 -0.001278 -0.001195 0.000082 0.000192 31O 1f-1 0.001035 0.001934 -0.000114 -0.001637 -0.001111 0.000035 31O 1f+2 0.000472 0.001272 0.000012 -0.000474 0.001606 0.000007 31O 1f-2 0.002132 0.000083 0.002094 0.001835 0.002257 0.000089 31O 1f+3 -0.000614 -0.000902 -0.001609 -0.001524 0.000883 -0.000049 31O 1f-3 0.001857 0.000135 0.000609 0.000446 0.001630 -0.000186 32O 1s -0.005156 0.005317 0.003176 0.006984 0.004168 0.008139 32O 2s -0.010950 0.011380 0.006823 0.015170 0.009268 0.017805 32O 3s -0.009118 0.006039 0.005903 0.005532 0.000720 0.004588 32O 4s 0.184407 -0.241340 -0.102927 -0.324058 -0.146926 -0.391572 32O 5s -0.218833 0.665851 -0.021086 0.958749 0.284447 1.274376 32O 1pz 0.057881 -0.070176 0.070979 0.028404 0.033510 -0.011949 32O 1px 0.004861 0.023804 -0.031123 0.077019 0.052033 0.129670 32O 1py -0.018844 -0.047787 0.040370 -0.106267 -0.011551 -0.119951 32O 2pz 0.104426 -0.153412 0.150675 0.070047 0.101178 -0.044965 32O 2px -0.004106 0.048966 -0.069747 0.173902 0.132144 0.297695 32O 2py -0.055015 -0.087578 0.084966 -0.196917 -0.038290 -0.238669 32O 3pz -0.326693 0.430924 -0.628853 -0.288820 -0.402868 0.130832 32O 3px -0.073088 -0.223180 0.289974 -0.659171 -0.474421 -1.105327 32O 3py 0.231387 0.348562 -0.318473 0.696258 0.185818 0.933118 32O 1dz2 -0.000361 -0.000346 0.003057 0.000113 0.000411 -0.002282 32O 1dxz -0.001000 -0.001429 -0.000184 -0.002638 -0.000637 -0.003214 32O 1dyz 0.001392 -0.000939 0.004481 0.002112 0.001700 0.000035 32O 1dx2y2 0.000180 0.001122 -0.002221 0.001407 0.000390 0.002422 32O 1dxy 0.000876 0.002209 -0.000947 0.004355 0.001148 0.006452 32O 2dz2 -0.011972 0.006726 -0.002483 0.005422 0.002674 -0.004902 32O 2dxz 0.014384 -0.003908 -0.012057 0.000420 -0.001186 0.011716 32O 2dyz -0.002138 0.007873 -0.012303 -0.001535 -0.001188 0.005286 32O 2dx2y2 0.013788 -0.010488 0.007235 -0.005828 -0.003004 0.010817 32O 2dxy -0.021800 -0.012263 0.009204 -0.015938 -0.004954 -0.037069 32O 1f0 0.000094 0.001219 -0.000045 0.001920 0.000196 0.001632 32O 1f+1 -0.000743 -0.000469 0.000472 -0.000348 0.000620 -0.001131 32O 1f-1 -0.000075 0.001788 -0.000744 0.001981 0.000378 0.002281 32O 1f+2 0.000721 -0.000803 -0.000411 -0.001172 -0.000634 -0.000053 32O 1f-2 0.001817 0.000412 -0.001062 0.000729 -0.000293 0.002463 32O 1f+3 -0.001110 0.000024 -0.000136 -0.000252 0.000298 -0.000918 32O 1f-3 -0.000761 -0.000003 0.000224 -0.000599 0.000009 -0.001050 33O 1s -0.000170 0.004415 0.009172 0.001852 0.003254 -0.000237 33O 2s -0.001786 0.011295 0.021527 0.003147 0.007455 -0.000786 33O 3s 0.024875 -0.030181 -0.025227 0.019287 -0.006272 0.005693 33O 4s -0.072020 -0.008231 -0.148176 -0.172026 -0.099045 -0.017335 33O 5s -0.339532 0.453625 0.283636 0.333967 0.650014 0.040908 33O 1pz 0.007064 -0.007467 -0.040236 0.012576 -0.000380 -0.016213 33O 1px -0.090894 0.056306 0.001358 -0.001811 0.007843 -0.009672 33O 1py 0.015989 -0.019373 -0.024131 0.018025 0.018489 0.014837 33O 2pz -0.040436 0.044691 -0.008966 0.024413 0.008968 -0.045173 33O 2px -0.106861 0.052629 -0.057274 0.023462 -0.012211 -0.011305 33O 2py 0.039475 -0.063421 -0.026023 0.057811 0.072705 0.043644 33O 3pz -0.026383 0.217837 -0.037795 -0.262375 0.177898 0.021633 33O 3px 0.326016 -0.498061 -0.060504 -0.108647 -0.318655 0.034174 33O 3py -0.138013 0.477650 0.017658 -0.275510 -0.313288 -0.281489 33O 1dz2 -0.000413 0.000826 -0.001948 -0.000904 0.000268 0.001257 33O 1dxz -0.001092 0.000590 -0.002853 -0.001103 0.000867 -0.002290 33O 1dyz -0.000180 -0.000084 -0.002417 0.000610 0.000032 -0.000902 33O 1dx2y2 0.000496 -0.003650 0.002498 -0.000034 0.001346 0.001959 33O 1dxy -0.000040 0.003528 0.000208 -0.001575 -0.001966 -0.001042 33O 2dz2 -0.011633 -0.013809 0.013049 0.003102 0.006981 0.000551 33O 2dxz 0.012007 -0.042108 -0.024621 0.007714 -0.007206 -0.006055 33O 2dyz -0.013162 0.010644 -0.011310 -0.011826 0.003505 -0.004322 33O 2dx2y2 -0.031810 0.000097 0.003667 0.005704 0.020052 -0.001509 33O 2dxy 0.000538 0.004240 -0.021321 0.001165 -0.015429 0.001482 33O 1f0 0.000719 -0.002015 -0.000372 -0.000416 0.001257 -0.000514 33O 1f+1 0.000737 -0.000694 -0.002630 0.000525 -0.000665 -0.000419 33O 1f-1 0.000434 0.001280 -0.000509 -0.000147 -0.000515 -0.000754 33O 1f+2 -0.002335 0.001233 0.001297 -0.000301 0.002343 0.000853 33O 1f-2 -0.000025 -0.001859 -0.001535 0.001236 0.000287 -0.000524 33O 1f+3 -0.001693 0.000371 -0.000560 0.000289 0.001132 0.000260 33O 1f-3 -0.000556 -0.000487 -0.001887 0.000833 -0.000489 -0.000201 34O 1s -0.000037 -0.002007 -0.001106 0.007840 0.007319 0.004814 34O 2s 0.001213 -0.005096 -0.003228 0.018734 0.017092 0.012315 34O 3s -0.027488 0.017754 0.015201 -0.027674 -0.018383 -0.031387 34O 4s 0.166419 -0.032964 -0.018959 -0.133943 -0.234103 0.014795 34O 5s -0.624496 -0.105781 -0.426367 0.841786 1.744345 -0.127850 34O 1pz -0.015890 -0.001250 -0.031718 -0.046505 0.019307 -0.028864 34O 1px 0.005037 0.011307 0.073865 -0.003766 -0.063771 0.003019 34O 1py -0.020864 0.000113 -0.010387 0.021901 -0.049371 0.019806 34O 2pz -0.066196 0.001960 -0.108868 -0.154900 0.036570 -0.095577 34O 2px 0.009808 -0.038354 0.037395 0.046301 -0.031695 0.016912 34O 2py -0.003826 -0.004329 0.045922 0.072376 -0.154531 0.079938 34O 3pz 0.466785 -0.383010 0.572480 0.735152 -0.159361 0.580215 34O 3px -0.083325 -0.309973 -0.313263 0.479794 1.281441 0.198363 34O 3py -0.617026 0.224843 -0.448138 -0.622903 0.363363 -0.646075 34O 1dz2 -0.001805 -0.003998 -0.000236 0.001792 0.003821 -0.000350 34O 1dxz -0.001142 0.003862 -0.004712 -0.005110 -0.000265 -0.002580 34O 1dyz -0.001350 0.001876 -0.000908 -0.001462 -0.000336 -0.001223 34O 1dx2y2 0.001170 0.003973 0.000373 -0.000044 -0.006623 0.001588 34O 1dxy 0.003144 0.000704 0.003112 0.003372 -0.001982 0.001508 34O 2dz2 -0.009339 -0.000670 0.020551 -0.006037 -0.023934 -0.006753 34O 2dxz -0.008130 0.003692 0.006964 0.010593 -0.008154 0.003028 34O 2dyz 0.001398 0.000771 -0.031331 -0.012590 -0.010243 0.001640 34O 2dx2y2 -0.008760 -0.017515 -0.032591 0.006787 0.045973 0.007424 34O 2dxy 0.009809 0.008261 0.011881 -0.027134 -0.021873 -0.007942 34O 1f0 0.000616 0.001753 -0.000540 -0.001578 0.000186 -0.000627 34O 1f+1 -0.000462 0.000231 0.001330 -0.001074 -0.001968 -0.001713 34O 1f-1 0.000267 0.000423 0.000135 0.000237 0.000025 0.000695 34O 1f+2 -0.001216 -0.000577 0.000850 0.001234 0.000249 0.000177 34O 1f-2 -0.000107 0.001591 -0.000635 -0.000883 -0.001070 -0.000649 34O 1f+3 0.000362 0.000997 0.002101 -0.000581 -0.003176 -0.000602 34O 1f-3 0.000034 0.000232 -0.001530 0.002993 0.000910 0.002335 35O 1s 0.003142 0.000645 0.000187 0.001659 0.002801 -0.001305 35O 2s 0.006184 0.001205 0.000557 0.004769 0.006538 -0.003404 35O 3s 0.015323 0.003929 -0.006835 -0.022080 -0.010187 0.009545 35O 4s -0.168089 -0.053580 -0.001763 -0.012531 -0.106866 -0.017829 35O 5s 0.280590 0.285289 0.398416 0.931672 1.300936 0.125142 35O 1pz -0.037365 0.006564 -0.027498 0.014968 0.008128 -0.019747 35O 1px 0.051226 -0.023239 0.058151 -0.067878 -0.032128 0.009029 35O 1py -0.013190 -0.007419 -0.028695 0.010289 -0.009923 0.012469 35O 2pz -0.071523 0.006526 -0.119597 0.041217 0.036468 -0.024647 35O 2px 0.072597 -0.027821 0.128595 -0.048464 0.022042 0.013792 35O 2py -0.037868 -0.008193 -0.110661 0.064760 0.031112 0.011710 35O 3pz -0.034191 -0.057648 0.835905 -0.140877 -0.078427 -0.094370 35O 3px -0.249977 0.036037 0.156732 0.866614 0.862113 0.021099 35O 3py 0.173606 0.336319 0.816830 0.090173 0.121479 -0.067350 35O 1dz2 -0.002311 -0.000848 0.003555 0.003071 0.003029 -0.001908 35O 1dxz 0.000762 0.000039 -0.005834 0.000628 -0.001345 -0.000759 35O 1dyz 0.001436 0.001687 -0.000203 0.000782 -0.000807 -0.001319 35O 1dx2y2 0.001125 0.001995 -0.000915 -0.006602 -0.005610 -0.000381 35O 1dxy -0.001664 -0.005060 -0.006094 -0.001600 -0.000230 0.000772 35O 2dz2 -0.001735 -0.007523 0.010460 -0.013740 -0.013116 -0.004220 35O 2dxz 0.006579 -0.004324 0.007256 0.013062 0.009056 -0.001230 35O 2dyz -0.000007 0.011275 0.026689 0.003919 -0.000984 0.007224 35O 2dx2y2 -0.022710 0.000219 -0.005859 0.032466 0.017671 -0.004274 35O 2dxy -0.004758 -0.000733 0.005635 0.028576 0.037500 0.003751 35O 1f0 -0.000836 0.000623 -0.000882 -0.000476 -0.000124 -0.000170 35O 1f+1 -0.000016 -0.000252 -0.000061 -0.001973 -0.000926 -0.000766 35O 1f-1 0.000563 -0.000431 0.000448 -0.000864 -0.000094 -0.001067 35O 1f+2 -0.000191 -0.001814 -0.000264 -0.000041 0.001619 -0.000145 35O 1f-2 0.000638 0.000131 0.001558 0.000162 0.000811 -0.000396 35O 1f+3 0.002497 0.001886 0.000703 -0.001877 -0.002297 -0.000374 35O 1f-3 0.000729 -0.000405 -0.000902 -0.002081 -0.002899 -0.000181 222 223 224 225 226 227 0.61610 0.62736 0.63844 0.64968 0.65229 0.65484 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s 0.002329 -0.006081 -0.000707 -0.000018 0.001428 0.000396 0Rh 2s -0.005493 0.013312 0.002867 0.000963 -0.002434 0.001221 0Rh 3s 0.010184 -0.027236 -0.002349 0.000490 0.006823 0.003064 0Rh 4s 0.023178 -0.055447 -0.013015 -0.004733 0.009625 -0.006685 0Rh 5s 0.011041 -0.042711 0.012560 0.011805 0.018929 0.029367 0Rh 6s -0.172165 0.480090 0.018320 -0.023018 -0.131123 -0.084444 0Rh 7s 1.272495 -2.358501 0.104224 0.131621 0.524526 0.693693 0Rh 8s -1.171378 -2.116312 -0.525865 0.056536 1.246138 -0.695933 0Rh 1pz 0.012688 -0.000727 -0.005833 -0.007936 0.003530 0.002720 0Rh 1px -0.000322 0.001084 -0.003735 0.001565 0.000924 0.004023 0Rh 1py 0.013016 0.003476 0.004007 -0.016273 0.002618 -0.007465 0Rh 2pz -0.043609 0.002346 0.019845 0.027431 -0.012146 -0.009323 0Rh 2px 0.001295 -0.003718 0.012912 -0.005345 -0.003311 -0.013798 0Rh 2py -0.044919 -0.012077 -0.014016 0.056015 -0.008465 0.025915 0Rh 3pz 0.034485 0.001212 -0.011436 -0.024524 0.009805 0.006676 0Rh 3px -0.004289 0.002245 -0.011421 0.003498 0.005283 0.010392 0Rh 3py 0.039135 0.011821 0.015899 -0.045295 -0.003545 -0.025270 0Rh 4pz 0.080785 -0.016852 -0.054971 -0.039065 0.021009 0.020100 0Rh 4px 0.006930 0.013450 -0.020602 0.012923 -0.004790 0.025921 0Rh 4py 0.068585 0.015589 0.005991 -0.100504 0.053464 -0.029519 0Rh 5pz -0.033064 0.032124 0.063317 -0.017916 0.007896 -0.001228 0Rh 5px 0.005814 -0.040320 0.012147 -0.009259 0.023170 0.008982 0Rh 5py 0.003452 -0.009669 0.038641 0.017301 -0.057130 -0.021441 0Rh 6pz -0.385006 -0.778337 -0.473759 0.834205 -0.836555 -1.086385 0Rh 6px -0.720038 1.307686 -0.066808 -0.044487 -0.451228 -0.606181 0Rh 6py -1.296175 -0.256663 -0.245080 1.562586 -0.827240 0.254035 0Rh 1dz2 -0.007966 0.002420 -0.001905 -0.003593 -0.007740 0.002118 0Rh 1dxz 0.010741 0.007619 0.002765 -0.003722 0.013731 0.005557 0Rh 1dyz -0.002635 -0.003658 0.000349 -0.003415 -0.009460 0.008887 0Rh 1dx2y2 0.001276 -0.007381 -0.000325 -0.002427 -0.010638 0.003613 0Rh 1dxy 0.016089 0.011132 -0.003736 -0.002153 0.039751 0.009624 0Rh 2dz2 0.000626 -0.000796 0.000441 0.000761 0.001631 -0.000605 0Rh 2dxz -0.002927 -0.000839 -0.001335 0.000319 -0.001903 -0.001398 0Rh 2dyz 0.000372 0.000193 0.000695 0.001366 0.001047 -0.002019 0Rh 2dx2y2 0.000675 0.000697 -0.000039 0.000687 0.001183 -0.000035 0Rh 2dxy -0.001860 -0.001347 0.001023 -0.000021 -0.007390 -0.001890 0Rh 3dz2 0.012851 -0.001341 0.001755 0.003733 0.008320 -0.001494 0Rh 3dxz -0.008675 -0.011216 0.000318 0.006026 -0.018961 -0.005014 0Rh 3dyz 0.003581 0.006359 -0.003672 0.000794 0.014190 -0.008661 0Rh 3dx2y2 -0.005343 0.011287 0.000745 0.001830 0.015923 -0.006918 0Rh 3dxy -0.023463 -0.016052 0.002889 0.004381 -0.046801 -0.010737 0Rh 4dz2 0.015571 -0.012124 0.010135 0.015437 0.029440 -0.012110 0Rh 4dxz -0.051457 -0.018470 -0.023081 0.006721 -0.039457 -0.025625 0Rh 4dyz 0.007325 0.005966 0.010970 0.024158 0.022153 -0.039775 0Rh 4dx2y2 0.010339 0.015357 0.000321 0.012556 0.026026 -0.003416 0Rh 4dxy -0.041531 -0.030972 0.019769 0.000505 -0.142072 -0.038096 0Rh 5dz2 0.022169 -0.000844 -0.061943 -0.057168 -0.033404 0.076199 0Rh 5dxz 0.158672 -0.030833 0.114328 0.024509 0.056464 0.094094 0Rh 5dyz -0.009011 0.024640 -0.094681 -0.125628 0.051269 0.176828 0Rh 5dx2y2 -0.105485 0.076960 -0.007585 -0.049281 -0.011822 -0.041606 0Rh 5dxy 0.035600 0.081915 -0.085828 0.017251 0.282425 0.119859 0Rh 1f0 0.008299 -0.006700 0.002979 -0.006140 -0.001317 0.003213 0Rh 1f+1 0.010173 -0.003229 -0.009820 0.007621 0.002477 -0.019715 0Rh 1f-1 0.001996 0.006565 0.002863 -0.016361 -0.007174 0.013714 0Rh 1f+2 -0.006586 0.012921 0.004508 -0.006056 -0.010865 0.009534 0Rh 1f-2 0.000372 0.000902 -0.000500 0.008723 -0.000835 -0.031742 0Rh 1f+3 -0.001614 0.009841 -0.004306 -0.001861 -0.008211 0.004076 0Rh 1f-3 -0.000958 -0.000024 0.001838 -0.003921 0.017225 0.017954 1Rh 1s -0.002362 0.006121 -0.000726 -0.000130 -0.001422 0.000207 1Rh 2s 0.005526 -0.013234 0.002902 0.001153 0.002038 0.001517 1Rh 3s -0.010356 0.027519 -0.002440 -0.000045 -0.007033 0.002145 1Rh 4s -0.023289 0.054998 -0.013154 -0.005485 -0.007678 -0.007828 1Rh 5s -0.011746 0.045105 0.012330 0.010305 -0.023812 0.026529 1Rh 6s 0.175631 -0.487480 0.020042 -0.012664 0.140663 -0.066434 1Rh 7s -1.265431 2.410114 0.082528 0.096115 -0.614553 0.606178 1Rh 8s 1.086445 2.091569 -0.457417 -0.080063 -1.133988 -0.765281 1Rh 1pz 0.012626 -0.000619 0.005722 0.008114 0.002841 -0.002486 1Rh 1px -0.000116 0.001118 0.003548 -0.001453 0.001452 -0.004152 1Rh 1py 0.013119 0.003195 -0.003235 0.016274 0.000184 0.008253 1Rh 2pz -0.043391 0.001972 -0.019474 -0.028044 -0.009756 0.008494 1Rh 2px 0.000581 -0.003834 -0.012256 0.004942 -0.005115 0.014235 1Rh 2py -0.045270 -0.011107 0.011349 -0.055964 -0.000063 -0.028580 1Rh 3pz 0.034259 0.001543 0.011329 0.025030 0.007472 -0.005569 1Rh 3px -0.003571 0.002346 0.010629 -0.002811 0.006533 -0.010578 1Rh 3py 0.039314 0.010980 -0.013525 0.044173 -0.010795 0.026536 1Rh 4pz 0.080548 -0.016292 0.053641 0.040078 0.018397 -0.020305 1Rh 4px 0.007778 0.013630 0.020470 -0.013636 -0.001039 -0.027420 1Rh 4py 0.069713 0.014052 -0.002243 0.104454 0.040211 0.037326 1Rh 5pz -0.032782 0.031936 -0.062795 0.018649 0.005793 0.004547 1Rh 5px 0.005434 -0.040420 -0.014301 0.012055 0.024160 -0.007235 1Rh 5py 0.001044 -0.009115 -0.036496 -0.023347 -0.057807 0.018377 1Rh 6pz -0.397530 -0.762258 0.509952 -0.900607 -0.883676 1.025054 1Rh 6px -0.721446 1.311400 0.099984 0.008314 -0.531094 0.579685 1Rh 6py -1.234752 -0.272069 0.181856 -1.640246 -0.653438 -0.381734 1Rh 1dz2 0.007816 -0.002577 -0.002388 -0.002886 0.007964 0.002313 1Rh 1dxz -0.010861 -0.007451 0.003403 -0.004626 -0.013957 0.005517 1Rh 1dyz 0.002988 0.003615 0.000486 -0.002456 0.008420 0.009982 1Rh 1dx2y2 -0.001850 0.007376 -0.000139 -0.001001 0.010466 0.005069 1Rh 1dxy -0.015892 -0.011276 -0.003609 -0.006406 -0.040486 0.005668 1Rh 2dz2 -0.000648 0.000810 0.000585 0.000610 -0.001636 -0.000631 1Rh 2dxz 0.002918 0.000809 -0.001398 0.000431 0.002061 -0.001414 1Rh 2dyz -0.000457 -0.000187 0.000657 0.001276 -0.000865 -0.002160 1Rh 2dx2y2 -0.000562 -0.000700 -0.000076 0.000484 -0.001275 -0.000226 1Rh 2dxy 0.001823 0.001392 0.001033 0.000759 0.007569 -0.001130 1Rh 3dz2 -0.012462 0.001586 0.002091 0.002978 -0.008741 -0.001767 1Rh 3dxz 0.008947 0.011014 -0.000661 0.007329 0.018730 -0.004862 1Rh 3dyz -0.003900 -0.006305 -0.003784 -0.000713 -0.012941 -0.010223 1Rh 3dx2y2 0.005978 -0.011263 0.000544 -0.000110 -0.015198 -0.008974 1Rh 3dxy 0.023242 0.016140 0.002606 0.009429 0.047460 -0.006177 1Rh 4dz2 -0.015814 0.012514 0.012618 0.012786 -0.029655 -0.012579 1Rh 4dxz 0.051424 0.017871 -0.024618 0.009140 0.042171 -0.025838 1Rh 4dyz -0.008981 -0.005816 0.010395 0.022188 -0.018355 -0.042595 1Rh 4dx2y2 -0.008124 -0.015414 -0.000475 0.008423 -0.027289 -0.007490 1Rh 4dxy 0.040707 0.031820 0.019742 0.015588 0.145705 -0.023614 1Rh 5dz2 -0.017885 0.000898 -0.069520 -0.055412 0.028978 0.072791 1Rh 5dxz -0.156835 0.033379 0.114898 0.021486 -0.073229 0.093492 1Rh 5dyz 0.015362 -0.025364 -0.094748 -0.133715 -0.064901 0.171934 1Rh 5dx2y2 0.100069 -0.078139 -0.004141 -0.045173 0.023567 -0.035616 1Rh 5dxy -0.031295 -0.086520 -0.087471 -0.013221 -0.296720 0.089778 1Rh 1f0 0.008126 -0.006562 -0.003352 0.005872 -0.001224 -0.003987 1Rh 1f+1 0.010169 -0.003418 0.009489 -0.007748 0.000714 0.019142 1Rh 1f-1 0.002000 0.006665 -0.002669 0.015717 -0.007045 -0.014147 1Rh 1f+2 -0.006583 0.012851 -0.004685 0.005104 -0.010060 -0.010834 1Rh 1f-2 0.000696 0.000316 0.000817 -0.008984 -0.004027 0.031944 1Rh 1f+3 -0.001668 0.009941 0.003805 0.001143 -0.007905 -0.005473 1Rh 1f-3 -0.000527 0.000068 -0.001126 0.005563 0.018665 -0.015236 2C 1s -0.005050 0.003600 -0.004471 -0.002447 0.005943 0.004442 2C 2s -0.011206 0.010718 -0.012752 -0.007043 0.016559 0.013579 2C 3s 0.005900 -0.063177 0.037142 0.039658 -0.020830 -0.041915 2C 4s 0.042215 0.274685 -0.250467 -0.216300 0.046248 0.147830 2C 5s -5.166147 -3.584678 3.582171 0.479190 -5.862206 0.825105 2C 1pz -0.058788 -0.017236 -0.024021 -0.003267 -0.014785 0.003804 2C 1px 0.012949 -0.044597 0.003774 -0.001602 0.001653 0.009253 2C 1py -0.011433 0.012167 0.003124 -0.002991 -0.000091 -0.008803 2C 2pz -0.318263 0.035556 -0.106141 -0.097915 -0.029601 -0.034249 2C 2px 0.049114 -0.146602 0.006142 0.043227 0.023510 0.140397 2C 2py -0.087025 0.038261 -0.071123 0.023896 -0.097679 0.081773 2C 3pz -1.116568 -0.536885 1.069077 -0.138477 -1.141550 -0.053911 2C 3px -0.768364 0.165563 -0.007096 -0.088114 -0.060704 0.889460 2C 3py -0.882442 -0.892319 0.259856 0.239787 -1.309696 0.540863 2C 1dz2 0.000740 -0.002786 0.000183 -0.000662 -0.001570 0.002375 2C 1dxz -0.003151 0.005063 0.002079 -0.000970 -0.000420 -0.000322 2C 1dyz -0.003001 -0.000418 0.002767 -0.000673 -0.001735 -0.000008 2C 1dx2y2 0.001190 0.001860 0.002386 0.000394 0.002415 -0.003208 2C 1dxy -0.001773 0.001657 -0.001460 0.001437 -0.005180 0.001895 2C 2dz2 -0.040645 0.096272 0.047175 0.039193 0.007785 -0.017422 2C 2dxz 0.031929 -0.090620 -0.101212 -0.015288 0.011650 0.043846 2C 2dyz -0.114375 -0.050929 -0.069153 0.001673 -0.016986 0.111294 2C 2dx2y2 0.060436 -0.036025 -0.025812 0.040578 -0.013445 0.121103 2C 2dxy 0.014372 0.003043 0.039194 -0.099836 0.194297 -0.061384 2C 1f0 -0.000172 0.001982 -0.000696 0.002562 -0.009053 0.000346 2C 1f+1 -0.002615 -0.003653 0.001309 0.001065 0.002376 0.000472 2C 1f-1 -0.005181 0.002729 -0.000038 -0.002286 -0.004203 -0.007298 2C 1f+2 0.000179 0.000858 -0.005084 -0.000862 0.008326 0.005075 2C 1f-2 0.004334 -0.003865 0.004056 0.002232 -0.004000 -0.001298 2C 1f+3 -0.002960 -0.000101 -0.004761 0.003197 0.004224 0.007236 2C 1f-3 -0.002630 0.000345 0.000896 0.000957 -0.000794 0.000465 3C 1s -0.001163 0.001503 0.002365 0.003430 -0.003165 -0.003098 3C 2s -0.003536 0.002123 0.007603 0.010072 -0.008794 -0.007676 3C 3s 0.020266 0.036370 -0.024468 -0.039014 -0.003999 0.012992 3C 4s -0.055682 -0.292220 0.114939 0.185314 0.096476 0.036150 3C 5s 2.208363 2.824921 -0.721927 -0.787373 1.256082 -3.052220 3C 1pz 0.038532 0.034166 -0.001818 -0.009501 0.009310 -0.000239 3C 1px 0.021126 0.019032 -0.010194 -0.002895 0.015221 -0.012667 3C 1py 0.010423 -0.002530 -0.005301 -0.011055 0.007988 0.015064 3C 2pz 0.163500 0.094523 -0.036954 0.052696 0.032059 0.004175 3C 2px 0.078490 -0.034610 0.041797 0.130281 -0.038544 -0.051100 3C 2py 0.028463 -0.014940 -0.056264 0.011963 -0.043039 0.068792 3C 3pz 0.215015 0.025379 -0.391167 0.009701 0.182084 -0.335983 3C 3px -0.113309 -0.293533 0.273278 0.835256 -0.359321 -0.258674 3C 3py -0.592779 -0.868876 0.111812 0.451302 -0.527266 0.855245 3C 1dz2 -0.000868 -0.001431 0.000822 -0.001978 0.001540 0.000587 3C 1dxz -0.000835 -0.000950 -0.000943 0.005699 -0.003588 0.000271 3C 1dyz -0.000098 0.002577 0.000104 -0.000019 -0.001423 0.001739 3C 1dx2y2 -0.002661 0.000902 -0.000215 -0.001082 -0.000994 0.001571 3C 1dxy 0.001106 -0.005361 -0.000360 0.003675 -0.002076 0.002383 3C 2dz2 -0.151410 -0.038530 0.011236 0.070254 -0.100539 0.009647 3C 2dxz 0.007687 0.046683 0.006317 -0.192666 0.075247 -0.029479 3C 2dyz 0.089595 -0.051903 -0.059690 -0.009811 0.051605 0.034827 3C 2dx2y2 -0.054859 -0.114985 0.017860 -0.019373 0.005444 0.003215 3C 2dxy -0.072359 0.181250 0.001281 -0.149686 0.077400 -0.004471 3C 1f0 -0.004220 -0.001010 -0.000056 -0.003874 0.001000 -0.000215 3C 1f+1 -0.003503 0.001870 -0.000444 0.000999 -0.001417 0.000065 3C 1f-1 0.005844 -0.003679 0.000109 0.001986 0.002840 0.000678 3C 1f+2 0.000973 -0.000786 0.007884 0.002517 -0.006965 -0.003161 3C 1f-2 0.000345 0.003582 0.000685 0.002548 -0.003952 0.000012 3C 1f+3 0.000415 -0.002512 0.002495 -0.006765 0.003818 -0.001125 3C 1f-3 0.002177 -0.004685 0.001184 -0.004633 0.001567 -0.001235 4C 1s 0.006891 -0.001467 0.001855 -0.004401 0.003374 0.007625 4C 2s 0.016165 -0.004907 0.004531 -0.009970 0.010043 0.018550 4C 3s 0.061030 0.144223 -0.007500 -0.021411 -0.054444 -0.000186 4C 4s -1.418221 -1.060720 0.027078 0.580884 -0.405788 -0.821859 4C 5s 2.026953 1.163843 -2.573643 -0.192281 3.055956 -0.262919 4C 1pz 0.095116 -0.001378 -0.012051 -0.010575 -0.044661 -0.067922 4C 1px -0.046760 0.080017 0.089244 0.116388 -0.027993 0.000407 4C 1py 0.005694 -0.004918 0.024461 0.040018 -0.015453 -0.035057 4C 2pz -0.273513 -0.093384 -0.198675 -0.168014 0.028908 -0.268635 4C 2px 0.111930 -0.132239 0.410809 0.921714 -0.129670 -0.016281 4C 2py -0.079730 -0.093276 0.025873 0.278786 -0.077711 -0.162234 4C 3pz -4.065346 -1.997173 0.735870 -0.578680 -2.359361 2.457752 4C 3px -0.502256 0.091625 0.146830 0.404043 -1.325200 -0.924264 4C 3py -2.425121 -0.688671 0.695605 -0.367620 -1.822903 0.979581 4C 1dz2 -0.003619 -0.004127 0.001723 -0.005622 -0.005676 0.001263 4C 1dxz 0.006010 -0.000993 0.003704 0.005817 -0.011481 0.003127 4C 1dyz -0.007751 -0.005500 0.004344 0.003169 -0.008656 -0.004502 4C 1dx2y2 -0.007994 -0.006096 -0.005091 0.007442 -0.003335 -0.004070 4C 1dxy -0.004418 -0.001745 0.005169 0.005435 -0.002404 -0.011931 4C 2dz2 -0.073602 0.109873 -0.085563 -0.158014 0.115094 0.051994 4C 2dxz 0.196002 -0.076295 0.081690 0.179211 0.101278 0.178548 4C 2dyz 0.032840 0.021268 -0.049072 0.001589 0.116329 0.124503 4C 2dx2y2 -0.175081 -0.184957 -0.035239 0.051683 -0.060386 -0.089261 4C 2dxy 0.052083 -0.164658 0.048961 0.165597 0.049298 0.016392 4C 1f0 0.006389 -0.000134 -0.000701 -0.001934 -0.001594 0.005145 4C 1f+1 0.010735 0.014946 0.005925 -0.004175 -0.001787 0.009389 4C 1f-1 -0.003150 0.007881 -0.003664 -0.011178 0.002134 0.000858 4C 1f+2 -0.018284 -0.004435 -0.006936 -0.009083 0.000518 -0.012743 4C 1f-2 0.001825 -0.000774 0.003533 0.012157 0.000229 0.007010 4C 1f+3 -0.006855 0.005530 -0.006447 -0.009891 -0.006917 -0.001577 4C 1f-3 0.003875 0.019024 -0.003153 -0.020184 0.000705 0.004330 5C 1s 0.002209 -0.003387 0.002816 0.003193 -0.005148 -0.008119 5C 2s 0.005824 -0.007237 0.007388 0.007599 -0.014269 -0.018428 5C 3s -0.091973 -0.072238 -0.054948 0.020935 0.110689 -0.049996 5C 4s 0.574464 0.929457 0.190202 -0.535767 -0.152154 1.073218 5C 5s -0.432718 -1.119602 1.157306 0.324695 -1.253438 2.306385 5C 1pz -0.007541 -0.070561 -0.050702 0.019234 0.027743 0.043038 5C 1px -0.091204 0.070107 0.073612 -0.111245 0.043403 -0.021004 5C 1py -0.022760 0.004977 0.046843 0.015046 -0.039166 -0.056780 5C 2pz 0.089826 0.030246 -0.138706 0.129451 -0.072598 0.345267 5C 2px 0.007582 0.253764 0.447509 -0.640634 0.054022 -0.247850 5C 2py -0.091840 -0.071540 0.015747 0.032417 -0.019840 -0.411068 5C 3pz 0.703606 0.891535 0.592288 0.379570 -0.256650 -1.254651 5C 3px 0.705146 1.701278 -0.374019 -0.697403 0.230671 -0.986023 5C 3py -1.345596 -0.801862 -0.612618 -0.767495 -0.303486 1.998587 5C 1dz2 0.006860 -0.006817 -0.001436 0.007797 0.002794 -0.005042 5C 1dxz 0.003880 0.003533 -0.002419 -0.008476 0.009576 -0.009501 5C 1dyz -0.008592 -0.002916 0.002305 0.003634 -0.006297 -0.003930 5C 1dx2y2 0.003561 0.009665 0.007079 -0.006379 0.000753 0.009437 5C 1dxy -0.001026 -0.006185 0.004009 -0.000133 -0.001302 0.005750 5C 2dz2 -0.045199 0.029633 -0.112610 0.099435 -0.017506 -0.021704 5C 2dxz -0.001304 -0.021315 0.073133 -0.065601 -0.035066 -0.092102 5C 2dyz -0.004181 -0.125667 0.010077 -0.079369 0.124415 -0.072341 5C 2dx2y2 0.198734 0.084343 0.030627 -0.149007 0.013986 0.028285 5C 2dxy -0.014029 0.125710 -0.160961 0.029586 0.055589 0.139263 5C 1f0 0.002109 -0.004943 0.004964 -0.007227 0.006074 -0.010984 5C 1f+1 -0.003054 -0.005186 -0.009543 0.012575 0.006839 -0.001792 5C 1f-1 -0.002374 -0.001644 0.006019 -0.002758 -0.000780 -0.002381 5C 1f+2 -0.004950 0.007227 -0.003270 0.001569 -0.004959 0.004379 5C 1f-2 0.002983 0.008037 -0.008096 0.003034 -0.001426 0.017397 5C 1f+3 -0.012640 -0.001594 -0.005538 0.006446 0.006843 -0.008227 5C 1f-3 0.012121 0.012130 0.006449 -0.007876 -0.001312 0.010353 6C 1s -0.001769 0.003277 0.002992 0.003756 0.005580 -0.007154 6C 2s -0.004786 0.006975 0.007905 0.009141 0.015130 -0.015806 6C 3s 0.087284 0.075758 -0.061322 0.011971 -0.101171 -0.073078 6C 4s -0.565819 -0.952169 0.205458 -0.547513 0.053764 1.121725 6C 5s 0.466032 1.105484 1.274038 0.472891 0.915536 2.617447 6C 1pz -0.008963 -0.069476 0.050447 -0.016340 0.034114 -0.038887 6C 1px -0.087895 0.068328 -0.075507 0.115681 0.030979 0.023194 6C 1py -0.022300 0.004335 -0.047073 -0.020001 -0.043467 0.050587 6C 2pz 0.085887 0.037052 0.134882 -0.132743 -0.020398 -0.358872 6C 2px 0.014804 0.245133 -0.449796 0.645144 -0.023455 0.249785 6C 2py -0.087732 -0.077217 -0.014293 -0.038337 -0.067164 0.411210 6C 3pz 0.736009 0.849250 -0.503193 -0.379166 -0.379495 1.292058 6C 3px 0.658095 1.717338 0.445636 0.738397 0.044450 1.054318 6C 3py -1.351625 -0.768716 0.476170 0.713283 -0.133502 -2.121245 6C 1dz2 -0.006994 0.006958 -0.001564 0.007656 -0.002844 -0.005264 6C 1dxz -0.003724 -0.003523 -0.002731 -0.009265 -0.007453 -0.010874 6C 1dyz 0.008509 0.003128 0.002430 0.004378 0.006403 -0.003183 6C 1dx2y2 -0.003633 -0.009682 0.007246 -0.006462 -0.001404 0.009503 6C 1dxy 0.000828 0.006391 0.004167 0.000198 0.000774 0.005955 6C 2dz2 0.046410 -0.029871 -0.112758 0.099900 0.013687 -0.021703 6C 2dxz -0.003703 0.028417 0.070895 -0.057488 0.051888 -0.092878 6C 2dyz 0.006293 0.124041 0.004796 -0.090054 -0.108757 -0.094100 6C 2dx2y2 -0.195985 -0.087283 0.032045 -0.153262 -0.006658 0.033525 6C 2dxy 0.020673 -0.133567 -0.161084 0.020191 -0.072696 0.136825 6C 1f0 0.002273 -0.005201 -0.004817 0.007576 0.004077 0.012020 6C 1f+1 -0.003135 -0.005200 0.009799 -0.011987 0.007481 0.002869 6C 1f-1 -0.002283 -0.001747 -0.006032 0.002685 -0.001148 0.002314 6C 1f+2 -0.005050 0.007420 0.002921 -0.001807 -0.004227 -0.005330 6C 1f-2 0.002518 0.008700 0.007756 -0.002853 0.000899 -0.018182 6C 1f+3 -0.012490 -0.001841 0.005921 -0.005950 0.005972 0.009757 6C 1f-3 0.012020 0.012438 -0.006829 0.007968 -0.000471 -0.011386 7C 1s -0.006577 0.001333 0.001590 -0.004708 -0.003904 0.007129 7C 2s -0.015371 0.004599 0.003949 -0.010857 -0.011434 0.017229 7C 3s -0.066645 -0.144079 -0.005732 -0.019295 0.057788 0.007868 7C 4s 1.438552 1.066021 0.031591 0.637832 0.439481 -0.800267 7C 5s -2.043502 -1.052983 -2.673340 -0.456854 -2.930545 -0.652324 7C 1pz 0.096768 -0.002359 0.013369 0.005928 -0.054549 0.063436 7C 1px -0.048264 0.081320 -0.091505 -0.117914 -0.015783 -0.004264 7C 1py 0.006414 -0.004366 -0.022976 -0.041628 -0.016049 0.035236 7C 2pz -0.273634 -0.102606 0.203844 0.167794 -0.021257 0.279514 7C 2px 0.106125 -0.123177 -0.413877 -0.931617 -0.035656 0.006136 7C 2py -0.083523 -0.094728 -0.027939 -0.287217 -0.068462 0.151078 7C 3pz -4.148159 -1.942668 -0.759231 0.392877 -2.039800 -2.677344 7C 3px -0.491335 0.107889 -0.122220 -0.552808 -1.404405 0.809122 7C 3py -2.481775 -0.675008 -0.770795 0.208523 -1.701549 -1.186553 7C 1dz2 0.003442 0.003948 0.001787 -0.005087 0.006065 0.001989 7C 1dxz -0.006194 0.000657 0.003812 0.006878 0.010568 0.004654 7C 1dyz 0.007835 0.005226 0.004155 0.003936 0.008867 -0.003927 7C 1dx2y2 0.008038 0.006274 -0.004715 0.007881 0.003078 -0.003221 7C 1dxy 0.004510 0.001760 0.005286 0.005902 0.003278 -0.011821 7C 2dz2 0.073264 -0.106073 -0.083760 -0.169152 -0.105659 0.039707 7C 2dxz -0.195408 0.074999 0.080596 0.168351 -0.141765 0.167697 7C 2dyz -0.031340 -0.017187 -0.042194 -0.008441 -0.131944 0.121312 7C 2dx2y2 0.178015 0.184467 -0.044158 0.060418 0.067515 -0.096375 7C 2dxy -0.049028 0.164381 0.046301 0.160459 -0.070668 0.007829 7C 1f0 0.006535 -0.000083 0.000601 0.001851 -0.001199 -0.005479 7C 1f+1 0.010970 0.015088 -0.006357 0.004305 -0.000966 -0.010007 7C 1f-1 -0.003068 0.007689 0.003655 0.011468 0.001061 -0.000661 7C 1f+2 -0.018354 -0.004696 0.007070 0.008776 -0.002062 0.013270 7C 1f-2 0.001746 -0.000643 -0.003440 -0.011950 0.002470 -0.006774 7C 1f+3 -0.006840 0.005417 0.006086 0.009170 -0.008084 0.000299 7C 1f-3 0.004236 0.019026 0.003165 0.020436 -0.000906 -0.004362 8C 1s 0.000800 -0.001373 0.002394 0.003879 0.003276 -0.002665 8C 2s 0.002630 -0.001708 0.007617 0.011335 0.008929 -0.006563 8C 3s -0.019958 -0.037766 -0.021524 -0.040153 0.005150 0.016451 8C 4s 0.068220 0.293869 0.099951 0.181636 -0.115021 0.014990 8C 5s -2.230479 -2.807707 -0.923298 -0.997434 -0.805418 -3.386548 8C 1pz 0.039451 0.034504 0.002678 0.010760 0.008167 0.001083 8C 1px 0.021701 0.019198 0.009956 0.004172 0.012885 0.014506 8C 1py 0.009690 -0.002797 0.005754 0.011498 0.008790 -0.012925 8C 2pz 0.164323 0.095364 0.041868 -0.050809 0.035427 -0.003210 8C 2px 0.083572 -0.036581 -0.041420 -0.132536 -0.031175 0.048213 8C 2py 0.025033 -0.014323 0.048639 -0.015381 -0.030819 -0.080239 8C 3pz 0.183442 0.043143 0.401535 0.011303 0.144929 0.359152 8C 3px -0.097968 -0.306705 -0.262424 -0.851657 -0.300174 0.233439 8C 3py -0.587971 -0.860581 -0.185729 -0.520176 -0.373350 -0.985052 8C 1dz2 0.000808 0.001467 0.000770 -0.002017 -0.001362 0.000289 8C 1dxz 0.000870 0.000946 -0.000982 0.005955 0.002950 0.000646 8C 1dyz 0.000020 -0.002522 0.000218 0.000129 0.001231 0.002007 8C 1dx2y2 0.002672 -0.001011 0.000007 -0.001034 0.000856 0.001939 8C 1dxy -0.001088 0.005303 -0.000209 0.003844 0.001376 0.002753 8C 2dz2 0.152316 0.034499 0.013178 0.075351 0.089351 0.022460 8C 2dxz -0.006614 -0.046773 0.002060 -0.196006 -0.050935 -0.043794 8C 2dyz -0.085755 0.048313 -0.058052 -0.014537 -0.055042 0.033355 8C 2dx2y2 0.055215 0.118184 0.016936 -0.017951 -0.002802 -0.003037 8C 2dxy 0.072966 -0.181635 0.001300 -0.158013 -0.061808 -0.014504 8C 1f0 -0.004406 -0.000969 -0.000009 0.004005 0.000641 0.000409 8C 1f+1 -0.003431 0.001986 0.000276 -0.001029 -0.001342 -0.000260 8C 1f-1 0.005796 -0.003596 -0.000050 -0.001747 0.003141 -0.000464 8C 1f+2 0.001568 -0.001146 -0.008136 -0.003395 -0.007011 0.002044 8C 1f-2 0.000459 0.003529 -0.000923 -0.003019 -0.003810 -0.000671 8C 1f+3 0.000405 -0.002551 -0.002303 0.006891 0.002889 0.001904 8C 1f-3 0.002136 -0.004848 -0.001164 0.004555 0.000874 0.001525 9C 1s 0.004914 -0.003511 -0.004297 -0.003023 -0.006168 0.003963 9C 2s 0.010896 -0.010393 -0.012334 -0.008689 -0.017330 0.012243 9C 3s -0.005903 0.061828 0.037664 0.043139 0.021545 -0.040095 9C 4s -0.041622 -0.266044 -0.266188 -0.228819 -0.037824 0.130921 9C 5s 5.278360 3.436942 3.700531 1.010524 5.575023 1.468321 9C 1pz -0.058237 -0.016845 0.024191 0.001528 -0.015374 -0.004053 9C 1px 0.013451 -0.044507 -0.003409 0.001174 0.002522 -0.009523 9C 1py -0.010643 0.011637 -0.003129 0.003328 -0.001173 0.009113 9C 2pz -0.315816 0.033112 0.107898 0.096265 -0.044946 0.039941 9C 2px 0.049552 -0.145233 -0.009257 -0.038074 0.049678 -0.137331 9C 2py -0.084421 0.038165 0.072846 -0.029153 -0.085065 -0.096538 9C 3pz -1.132266 -0.509067 -1.097120 0.032121 -1.130622 -0.047545 9C 3px -0.788500 0.172651 -0.038300 0.116042 0.076028 -0.903896 9C 3py -0.921731 -0.850079 -0.258212 -0.354913 -1.205395 -0.707350 9C 1dz2 -0.000708 0.002698 0.000211 -0.000541 0.001321 0.002589 9C 1dxz 0.003170 -0.005037 0.002159 -0.001014 0.000455 -0.000286 9C 1dyz 0.003049 0.000359 0.002751 -0.000539 0.001752 0.000065 9C 1dx2y2 -0.001232 -0.001874 0.002339 0.000209 -0.002047 -0.003634 9C 1dxy 0.001822 -0.001754 -0.001398 0.001911 0.004813 0.002534 9C 2dz2 0.040019 -0.097565 0.048087 0.036536 -0.011846 -0.018284 9C 2dxz -0.032825 0.089678 -0.108012 -0.015100 -0.011901 0.041709 9C 2dyz 0.114297 0.051732 -0.064329 0.002130 0.002874 0.118640 9C 2dx2y2 -0.058929 0.034937 -0.026179 0.040046 -0.004906 0.129129 9C 2dxy -0.015913 0.002479 0.036757 -0.117273 -0.178316 -0.086383 9C 1f0 -0.000160 0.002184 0.000729 -0.003311 -0.008639 -0.001536 9C 1f+1 -0.002603 -0.003640 -0.001257 -0.000923 0.002482 0.000009 9C 1f-1 -0.005173 0.002772 0.000145 0.001913 -0.005303 0.006951 9C 1f+2 0.000097 0.000615 0.005289 0.001580 0.008998 -0.004391 9C 1f-2 0.004118 -0.003687 -0.003534 -0.002514 -0.003813 0.001013 9C 1f+3 -0.002792 -0.000238 0.004692 -0.002711 0.005324 -0.006990 9C 1f-3 -0.002731 0.000420 -0.001029 -0.001080 -0.000351 -0.000896 10H 1s -0.019447 0.005057 -0.004600 0.001418 0.011135 -0.003279 10H 2s -0.238207 0.184628 -0.303197 -0.159729 0.368824 -0.010547 10H 3s 0.750470 0.071841 -0.049175 -0.163724 0.301867 -0.381411 10H 1pz -0.001950 0.003279 -0.015071 -0.018212 0.019624 -0.001870 10H 1px 0.003860 0.003263 0.000209 0.001037 -0.009016 0.011181 10H 1py 0.004204 -0.003874 -0.014579 -0.003130 0.002014 0.012877 11H 1s -0.018620 0.007633 -0.017657 -0.013594 0.019646 0.008030 11H 2s -0.266868 0.140365 -0.265955 -0.206732 0.491860 0.235148 11H 3s 0.081281 0.718639 -0.075889 -0.283283 0.666446 0.132014 11H 1pz -0.000426 -0.000616 0.000947 0.000451 0.017375 -0.000907 11H 1px -0.006200 0.006426 -0.000905 0.001879 0.005381 0.006564 11H 1py 0.010104 -0.001781 -0.007749 0.011031 -0.019470 0.004587 12H 1s -0.015799 0.004739 -0.026150 -0.010501 0.005379 0.012974 12H 2s -0.112844 0.129635 -0.408656 0.015544 0.135001 0.457649 12H 3s 0.073375 0.064718 -0.511529 0.081937 0.037804 0.517391 12H 1pz 0.008507 0.010122 0.013513 0.001443 0.019813 -0.011400 12H 1px -0.004090 -0.000642 -0.005764 0.008290 -0.001244 0.018035 12H 1py 0.005097 0.001084 -0.008792 0.019228 -0.007005 0.022411 13H 1s -0.007144 0.004078 0.009232 -0.007770 0.003808 -0.004560 13H 2s 0.044950 0.022506 0.118123 -0.058695 -0.029543 -0.031368 13H 3s -0.002571 -0.092785 -0.229185 -0.265249 0.183193 0.148834 13H 1pz 0.015532 -0.005737 -0.003521 0.007316 -0.003000 0.003749 13H 1px -0.002620 -0.011268 -0.001433 0.027270 -0.011003 0.004684 13H 1py -0.005533 0.004214 0.002157 -0.004754 0.003711 -0.004028 14H 1s 0.002664 -0.001659 -0.002794 0.022843 -0.012526 -0.002448 14H 2s 0.064565 0.005922 0.100906 0.508711 -0.322231 -0.052264 14H 3s -0.451204 -0.739845 0.169624 0.670816 -0.403747 0.208319 14H 1pz 0.007095 0.007877 0.000182 0.006060 -0.007968 0.001000 14H 1px 0.001667 -0.001163 0.008494 0.030711 -0.022102 0.000211 14H 1py 0.001075 -0.008917 -0.010288 0.022406 -0.012030 0.001803 15H 1s 0.002623 0.005606 0.005856 0.009018 -0.003773 -0.008383 15H 2s -0.196269 0.016505 0.255015 0.097973 -0.153297 -0.162779 15H 3s -0.050153 -0.046694 0.284565 -0.013713 0.107862 0.078260 15H 1pz -0.000799 -0.010461 -0.005857 0.008076 -0.004349 0.007439 15H 1px -0.007780 0.005247 0.001419 0.011361 -0.015929 0.001599 15H 1py 0.017749 0.001221 -0.013664 0.012412 0.005589 0.002380 16H 1s -0.004097 -0.005705 -0.007014 0.002090 0.008891 0.015320 16H 2s -0.041683 0.170260 0.209666 -0.073811 -0.014773 0.213171 16H 3s 0.268083 0.759778 0.701918 -0.223791 -0.352429 0.302018 16H 1pz -0.012345 0.015714 0.030200 -0.006503 -0.003306 0.011302 16H 1px 0.010360 0.009054 -0.005732 -0.008039 0.004811 0.004563 16H 1py 0.006236 0.006201 -0.000320 0.000103 -0.006755 0.007040 17H 1s 0.002516 -0.015414 -0.005433 0.011033 0.009042 -0.003109 17H 2s 0.207887 -0.023654 -0.211557 0.044458 -0.105989 -0.118771 17H 3s 0.574185 0.274271 -0.399750 -0.039435 -0.462177 -0.222434 17H 1pz -0.016960 0.001410 0.018898 0.000401 -0.001920 0.010910 17H 1px -0.008154 -0.000713 0.014289 0.001857 0.011066 0.000706 17H 1py 0.009994 0.002360 -0.002704 0.003759 -0.013282 -0.002077 18H 1s -0.004187 0.015970 -0.004089 0.009618 -0.009546 -0.002472 18H 2s -0.195625 0.020439 -0.222730 0.055556 0.116872 -0.110042 18H 3s -0.511035 -0.279433 -0.423462 0.014676 0.478074 -0.184336 18H 1pz -0.016490 0.001382 -0.018822 -0.000637 -0.000482 -0.010046 18H 1px -0.006788 -0.001666 -0.016358 -0.000432 0.011556 -0.001263 18H 1py 0.008752 0.002566 0.003389 -0.005336 -0.013019 0.001358 19H 1s 0.003085 0.005905 -0.006625 0.001099 -0.011141 0.015221 19H 2s 0.051377 -0.169380 0.205297 -0.069385 -0.004944 0.207476 19H 3s -0.241714 -0.768890 0.689474 -0.190147 0.332257 0.315222 19H 1pz -0.013250 0.015701 -0.030182 0.006284 -0.002347 -0.010977 19H 1px 0.011211 0.009208 0.005374 0.008989 0.004725 -0.005013 19H 1py 0.004943 0.006125 0.000820 -0.001444 -0.005990 -0.006686 20H 1s -0.003430 -0.005365 0.005710 0.009713 0.004245 -0.007757 20H 2s 0.178988 -0.006399 0.255062 0.119218 0.167069 -0.148871 20H 3s 0.050008 0.061117 0.266250 -0.016770 -0.111480 0.046338 20H 1pz -0.001345 -0.009962 0.005362 -0.008627 -0.002558 -0.008897 20H 1px -0.007628 0.005339 -0.001854 -0.012295 -0.014387 -0.003524 20H 1py 0.017080 0.001612 0.013970 -0.011759 0.006961 -0.002226 21H 1s -0.002960 0.001508 -0.002601 0.024195 0.010743 -0.000559 21H 2s -0.079524 -0.002344 0.109222 0.541087 0.277818 0.000604 21H 3s 0.468086 0.737372 0.190556 0.709093 0.303345 0.278172 21H 1pz 0.007430 0.007655 -0.000843 -0.007086 -0.007325 -0.003119 21H 1px 0.002511 -0.001457 -0.009078 -0.032254 -0.018438 -0.003605 21H 1py 0.000582 -0.008471 0.010031 -0.023244 -0.009614 -0.003409 22H 1s 0.006468 -0.004172 0.009523 -0.007843 -0.002382 -0.004097 22H 2s -0.051783 -0.019656 0.118773 -0.043533 0.044331 -0.016342 22H 3s 0.032835 0.077474 -0.220461 -0.268525 -0.171627 0.139303 22H 1pz 0.015399 -0.005965 0.003314 -0.008275 -0.002012 -0.004798 22H 1px -0.002701 -0.011288 0.001226 -0.027655 -0.007440 -0.005870 22H 1py -0.005623 0.004494 -0.002306 0.005326 0.003121 0.004045 23H 1s 0.015139 -0.004376 -0.026246 -0.011047 -0.005559 0.012483 23H 2s 0.104889 -0.125278 -0.404219 -0.004063 -0.190964 0.460261 23H 3s -0.059380 -0.068344 -0.520113 0.067662 -0.101562 0.530859 23H 1pz 0.008689 0.009871 -0.013304 0.000512 0.018595 0.014617 23H 1px -0.004247 -0.000370 0.005136 -0.007702 0.002313 -0.017859 23H 1py 0.005230 0.001217 0.008340 -0.019558 -0.002108 -0.025075 24H 1s 0.018043 -0.007365 -0.017588 -0.015608 -0.019051 0.005395 24H 2s 0.258842 -0.129354 -0.255584 -0.254363 -0.498693 0.175157 24H 3s -0.083672 -0.695853 -0.066001 -0.357577 -0.658330 0.044435 24H 1pz -0.000403 -0.001073 -0.001320 0.000817 0.017229 0.003144 24H 1px -0.006271 0.006175 -0.000589 -0.000966 0.007378 -0.006293 24H 1py 0.009932 -0.001525 0.007805 -0.013024 -0.017930 -0.008065 25H 1s 0.018952 -0.005085 -0.004676 0.000509 -0.010269 -0.004887 25H 2s 0.229774 -0.173242 -0.311964 -0.189777 -0.337837 -0.056197 25H 3s -0.764656 -0.066603 -0.085106 -0.175459 -0.217706 -0.430604 25H 1pz -0.001777 0.002237 0.015209 0.019846 0.017452 0.004047 25H 1px 0.003565 0.003600 -0.001173 -0.001177 -0.006761 -0.012301 25H 1py 0.004156 -0.003970 0.015132 0.003507 0.003045 -0.013060 26O 1s 0.001711 0.006648 -0.000631 -0.002834 0.003266 0.008270 26O 2s 0.003549 0.014740 -0.000919 -0.007841 0.007719 0.019805 26O 3s 0.005494 -0.006506 -0.006272 0.039591 -0.007328 -0.027433 26O 4s -0.146858 -0.224269 0.078442 -0.049721 -0.101176 -0.152566 26O 5s 0.984305 1.347912 -0.433318 -0.764586 0.632213 0.284377 26O 1pz -0.064102 0.016048 0.009462 0.027544 0.059343 -0.008629 26O 1px 0.013856 0.056545 0.047742 -0.008178 0.028979 -0.001241 26O 1py 0.002191 0.010561 -0.025617 0.044392 -0.076555 0.037158 26O 2pz -0.138538 -0.045903 0.036155 0.023703 0.168651 0.054087 26O 2px 0.038773 -0.035766 0.116757 0.084105 0.070385 -0.064323 26O 2py 0.012177 -0.074099 -0.068511 0.138938 -0.155536 0.143096 26O 3pz 0.380600 0.470296 -0.082926 0.415173 -0.736187 -0.955191 26O 3px -0.656928 -0.634762 0.115909 1.193282 -0.642348 -0.077118 26O 3py -0.295323 -0.024053 0.248656 0.441018 0.007087 -0.949218 26O 1dz2 0.003461 0.000282 -0.003228 -0.007744 0.003463 0.003780 26O 1dxz 0.001712 0.000715 0.000775 0.000726 -0.004442 -0.006212 26O 1dyz 0.002145 -0.000284 0.000862 -0.000622 -0.000275 0.000419 26O 1dx2y2 -0.002872 -0.002052 0.002273 0.009887 -0.003576 -0.001263 26O 1dxy -0.004724 -0.003081 0.003569 0.008205 -0.002368 -0.004820 26O 2dz2 -0.002526 -0.032452 0.019772 0.010139 0.027185 -0.010127 26O 2dxz -0.011699 0.024995 -0.002808 -0.008429 0.002810 -0.013677 26O 2dyz 0.023928 -0.019321 -0.016583 0.007213 0.015667 0.023030 26O 2dx2y2 0.015309 0.021673 0.007450 -0.041408 0.011544 -0.015258 26O 2dxy 0.009329 0.027965 -0.005824 -0.033365 0.012706 -0.006061 26O 1f0 -0.000959 0.001448 0.000150 -0.000882 0.001480 0.001339 26O 1f+1 -0.000227 0.002653 -0.000153 -0.001379 -0.001728 -0.000778 26O 1f-1 0.000517 0.000556 0.000141 -0.000396 -0.000045 -0.000919 26O 1f+2 0.001792 -0.000863 0.000248 -0.000273 -0.000445 -0.000345 26O 1f-2 0.000316 -0.000737 0.000361 0.000751 -0.001528 -0.003061 26O 1f+3 0.000103 -0.000040 -0.000026 -0.001195 -0.000213 -0.001287 26O 1f-3 -0.000214 0.003202 -0.000219 -0.002670 -0.000660 0.000597 27O 1s -0.005975 0.003483 0.006047 0.002303 -0.000810 -0.001304 27O 2s -0.014279 0.007267 0.013809 0.005682 -0.001106 -0.003377 27O 3s 0.021897 0.009532 -0.001208 -0.018371 -0.014235 0.006449 27O 4s 0.106712 -0.082110 -0.143047 -0.030185 0.090747 0.044389 27O 5s -0.861551 -0.767770 -0.525382 0.830916 -0.099906 -0.001725 27O 1pz -0.018305 0.008382 0.029383 0.042544 -0.103800 0.040699 27O 1px -0.037220 -0.013526 -0.034851 -0.001194 -0.007952 -0.047447 27O 1py -0.017219 -0.008781 -0.049413 0.054893 -0.059049 -0.007527 27O 2pz -0.022546 -0.020432 0.071731 0.170396 -0.253929 0.063996 27O 2px 0.021615 -0.019894 0.006466 -0.067141 -0.048853 -0.069322 27O 2py -0.078294 0.044629 -0.149656 0.129693 -0.142019 0.012181 27O 3pz -0.117896 0.075663 -0.356511 -0.578417 0.812304 0.021853 27O 3px 0.438140 0.805986 0.675886 -0.951771 0.111316 0.160181 27O 3py 0.226134 -0.687766 0.534669 0.233713 0.331847 -0.232801 27O 1dz2 0.000802 -0.002771 -0.004401 0.005293 -0.002404 -0.002145 27O 1dxz -0.001239 -0.003113 -0.003127 0.001118 0.004107 -0.000503 27O 1dyz -0.000511 0.002441 -0.000851 -0.001608 0.000647 0.000463 27O 1dx2y2 -0.000536 0.006596 0.005386 -0.008972 0.002977 0.001368 27O 1dxy -0.000031 -0.004794 0.001335 0.004074 -0.000661 -0.002937 27O 2dz2 0.022777 0.012658 0.017914 0.022953 -0.023802 0.004121 27O 2dxz -0.010850 -0.000282 0.007613 0.008641 -0.007310 0.006695 27O 2dyz -0.014409 0.030080 0.004141 -0.025004 0.016299 0.000485 27O 2dx2y2 -0.024340 -0.006574 -0.030054 0.044991 0.005093 0.009244 27O 2dxy 0.010155 0.012868 0.003163 -0.011980 -0.004014 -0.015113 27O 1f0 0.000068 0.001202 0.001655 0.000197 -0.001127 -0.000343 27O 1f+1 -0.002582 -0.000733 -0.000688 0.000836 0.001154 0.000124 27O 1f-1 0.001583 0.000563 -0.000387 -0.001064 0.000185 0.000139 27O 1f+2 0.000052 -0.001618 -0.000428 0.000457 0.001494 -0.000272 27O 1f-2 0.001225 -0.000479 0.000184 0.000664 -0.000663 -0.001087 27O 1f+3 -0.000801 -0.000242 -0.002629 0.000815 0.002165 0.001244 27O 1f-3 0.001980 0.000674 -0.000881 -0.001530 -0.000659 0.000447 28O 1s 0.004272 0.001033 -0.005199 -0.001486 0.002683 0.005451 28O 2s 0.010042 0.003096 -0.012438 -0.002713 0.006068 0.013730 28O 3s -0.013544 -0.016035 0.012557 -0.019512 -0.002072 -0.037558 28O 4s -0.164322 0.002370 0.043611 0.122361 -0.060532 0.042918 28O 5s 1.905289 0.455744 0.833143 0.531732 -0.009427 -0.525754 28O 1pz 0.009901 -0.032367 -0.018565 -0.024098 -0.003579 0.022746 28O 1px -0.110859 0.011133 -0.043206 0.023471 -0.015799 -0.024221 28O 1py -0.020875 0.021159 0.012333 -0.025277 0.006433 -0.046391 28O 2pz -0.128557 -0.015192 -0.117222 -0.083773 -0.048294 0.024650 28O 2px -0.139625 0.025268 -0.036531 0.100761 -0.066048 0.042618 28O 2py -0.087085 0.127788 0.033968 -0.087073 0.021186 -0.125851 28O 3pz -0.070625 -0.554158 0.074876 -0.479245 0.140045 -0.562814 28O 3px 1.498192 0.229820 0.556174 0.542376 0.346123 -0.002956 28O 3py 0.349533 -0.675691 -0.057507 0.140247 0.063265 0.102548 28O 1dz2 0.003794 -0.000894 0.000732 0.001150 -0.000563 -0.000529 28O 1dxz 0.004969 0.002739 0.005246 0.005542 0.002480 0.007412 28O 1dyz 0.000327 -0.001066 -0.001569 0.000282 -0.000960 0.000147 28O 1dx2y2 -0.007074 -0.000772 -0.004021 -0.004919 -0.000320 -0.003426 28O 1dxy -0.000276 0.003659 0.000626 0.000054 0.000040 0.001870 28O 2dz2 0.005177 -0.001963 -0.008681 0.019694 -0.020477 0.009043 28O 2dxz -0.058866 -0.010691 -0.022048 -0.028034 -0.013652 0.005418 28O 2dyz 0.010066 0.026483 0.020159 0.001651 0.016788 -0.012459 28O 2dx2y2 0.031151 -0.011234 -0.004346 0.029850 -0.017725 0.023692 28O 2dxy -0.002496 0.011345 0.011662 -0.004854 0.006394 0.002094 28O 1f0 0.001853 0.000965 0.000998 0.001362 -0.001139 -0.001080 28O 1f+1 0.000829 0.000559 -0.000967 0.000570 0.000734 0.000247 28O 1f-1 0.000260 -0.000473 0.000142 0.000664 0.001221 -0.000163 28O 1f+2 -0.002473 -0.000715 -0.000928 -0.002056 0.001481 0.000955 28O 1f-2 0.001267 0.001069 -0.000478 0.000299 0.000636 0.001088 28O 1f+3 -0.001362 -0.000393 -0.000510 -0.001662 0.002144 0.000222 28O 1f-3 0.000298 -0.000202 -0.000512 0.000105 -0.000828 -0.000253 29O 1s -0.001700 -0.010792 -0.000672 0.003241 0.004322 0.002873 29O 2s -0.003740 -0.023424 -0.001668 0.006894 0.009427 0.005816 29O 3s -0.001020 -0.012391 0.002926 0.005363 0.004242 0.010347 29O 4s 0.084691 0.467462 0.018676 -0.142145 -0.203720 -0.136017 29O 5s -0.327334 -1.106458 -0.108289 0.318936 0.596099 0.184503 29O 1pz 0.034058 -0.060907 -0.139751 0.011808 0.012385 -0.047981 29O 1px 0.069681 0.003376 -0.025903 -0.015617 -0.047890 -0.027134 29O 1py -0.030612 -0.035562 -0.000255 -0.029698 0.041901 -0.026868 29O 2pz 0.042186 -0.148052 -0.293528 0.043116 0.025632 -0.123437 29O 2px 0.170012 0.048398 -0.046060 -0.030744 -0.126247 -0.050688 29O 2py -0.080194 -0.055538 -0.010846 -0.031359 0.079424 -0.043685 29O 3pz -0.180409 0.616664 1.164286 -0.268367 0.005160 0.675259 29O 3px -0.704724 -0.162205 0.231391 0.058929 0.473420 0.170897 29O 3py 0.393933 0.301432 0.032595 -0.062232 -0.281549 0.084345 29O 1dz2 -0.001108 0.002532 0.004421 -0.000660 -0.000733 0.002956 29O 1dxz 0.003232 -0.001085 -0.003433 0.000225 -0.000788 -0.001296 29O 1dyz -0.002956 0.003678 0.007433 -0.001410 0.000395 0.005324 29O 1dx2y2 -0.001005 -0.000677 -0.001467 0.000095 0.000575 -0.001207 29O 1dxy -0.003461 0.000157 0.002750 -0.001875 0.002859 0.001042 29O 2dz2 0.011444 0.005820 -0.018548 0.004678 -0.008314 -0.008045 29O 2dxz -0.007483 0.011433 0.018754 -0.003858 -0.002689 0.007801 29O 2dyz 0.003362 -0.002598 -0.012265 0.010304 0.000531 -0.011577 29O 2dx2y2 0.005155 -0.011531 0.002972 0.002036 0.008839 0.004521 29O 2dxy 0.007083 -0.014130 0.003055 -0.004750 -0.014574 -0.007233 29O 1f0 0.000223 0.000982 -0.000064 -0.000304 -0.000643 -0.000253 29O 1f+1 -0.000449 -0.000762 0.000406 0.000072 0.000356 0.000017 29O 1f-1 -0.000088 0.000465 0.001027 -0.000744 -0.000722 -0.000137 29O 1f+2 0.000801 -0.000738 -0.000905 0.000116 0.000417 0.000004 29O 1f-2 0.000422 -0.000033 -0.000271 -0.000347 -0.000787 0.000165 29O 1f+3 0.000128 -0.000595 0.000126 0.000579 0.000324 0.000257 29O 1f-3 -0.000498 -0.001253 0.000223 0.000416 -0.000098 -0.000276 30O 1s 0.000022 -0.006233 0.000927 0.004908 -0.002191 -0.003543 30O 2s -0.000065 -0.013431 0.002381 0.011516 -0.005229 -0.010053 30O 3s 0.005381 -0.004925 -0.013043 -0.008352 0.005256 0.047562 30O 4s -0.008080 0.241047 0.066111 -0.078459 0.023755 -0.074045 30O 5s -0.385686 -0.679450 -0.263573 -0.606116 0.388301 -0.311696 30O 1pz -0.006448 0.038798 -0.020276 -0.033869 -0.013475 -0.001706 30O 1px -0.012792 0.050455 0.039677 -0.020032 -0.014520 0.062760 30O 1py -0.021359 0.045623 0.017200 -0.064844 -0.009981 -0.044715 30O 2pz -0.011339 0.202408 -0.049504 -0.118414 -0.031273 0.021270 30O 2px -0.044941 0.089674 0.085091 -0.051950 -0.016640 0.026235 30O 2py -0.029659 0.008680 0.058094 -0.188111 0.010917 -0.112535 30O 3pz 0.305317 -0.707209 -0.122667 0.567559 0.158041 0.702078 30O 3px -0.103378 -0.691681 0.022485 -0.344217 0.248942 -0.609857 30O 3py -0.292426 0.245368 0.128179 0.303169 0.103810 -0.683142 30O 1dz2 0.000569 -0.003158 0.001810 -0.001777 0.000640 -0.000799 30O 1dxz -0.001324 0.002450 0.003310 -0.002373 -0.001985 -0.007722 30O 1dyz -0.001156 -0.001075 0.001243 -0.000672 -0.001300 -0.004306 30O 1dx2y2 0.000241 0.000983 -0.000936 0.002341 -0.002841 0.004323 30O 1dxy 0.003470 -0.000029 -0.004384 0.001728 -0.000433 0.007344 30O 2dz2 0.000661 0.004789 0.002663 -0.021475 0.020388 0.007401 30O 2dxz 0.011362 0.033575 -0.011241 -0.011252 0.006812 0.016679 30O 2dyz 0.009149 -0.017809 0.003454 0.033289 -0.005452 0.012529 30O 2dx2y2 0.006124 0.006409 -0.001940 -0.024125 0.020252 -0.025931 30O 2dxy 0.010613 -0.025676 0.006461 -0.015187 0.024791 -0.020396 30O 1f0 -0.001311 -0.000563 -0.000199 0.000038 0.001604 -0.001520 30O 1f+1 -0.000229 -0.000366 -0.000423 0.000333 -0.000401 0.000103 30O 1f-1 0.001168 0.001094 0.000122 0.000618 -0.000060 -0.000733 30O 1f+2 0.000127 0.000617 0.000544 0.000726 0.000005 -0.000117 30O 1f-2 0.000683 0.000998 0.000572 0.000793 -0.000299 0.002106 30O 1f+3 0.000301 -0.001337 0.000493 0.001067 -0.001148 0.000048 30O 1f-3 -0.000886 0.001142 0.000193 0.001667 -0.002202 0.000388 31O 1s -0.000125 0.006522 0.000852 0.005179 0.002205 -0.003537 31O 2s -0.000169 0.014111 0.002216 0.012166 0.005465 -0.009988 31O 3s -0.004964 0.003771 -0.012926 -0.009273 -0.010191 0.047069 31O 4s 0.008776 -0.243983 0.069297 -0.081326 -0.009274 -0.067015 31O 5s 0.379659 0.691643 -0.281269 -0.626457 -0.288652 -0.416363 31O 1pz -0.005470 0.038668 0.022535 0.031830 -0.018588 0.004981 31O 1px -0.011967 0.050159 -0.038943 0.019578 -0.009044 -0.063833 31O 1py -0.020703 0.045616 -0.018201 0.063670 -0.021730 0.042652 31O 2pz -0.010784 0.203596 0.052483 0.115099 -0.044433 -0.019378 31O 2px -0.041950 0.085586 -0.079597 0.051010 -0.019086 -0.020799 31O 2py -0.025665 0.006029 -0.058640 0.186956 -0.021683 0.116309 31O 3pz 0.296897 -0.691929 0.115195 -0.545268 0.306082 -0.702541 31O 3px -0.096882 -0.694390 -0.039103 0.349069 0.147524 0.633225 31O 3py -0.295511 0.232936 -0.123017 -0.300113 0.054305 0.696703 31O 1dz2 -0.000513 0.003141 0.001795 -0.001780 -0.000480 -0.000812 31O 1dxz 0.001218 -0.002282 0.003334 -0.002108 0.003085 -0.007481 31O 1dyz 0.001056 0.001165 0.001140 -0.000451 0.001863 -0.004299 31O 1dx2y2 -0.000225 -0.000992 -0.001126 0.002577 0.002105 0.004481 31O 1dxy -0.003379 -0.000171 -0.004366 0.001632 -0.000527 0.007402 31O 2dz2 -0.000589 -0.004675 0.002252 -0.023139 -0.018505 0.004564 31O 2dxz -0.011038 -0.034118 -0.011031 -0.012007 -0.007300 0.016779 31O 2dyz -0.008603 0.016907 0.003408 0.033144 0.000401 0.013838 31O 2dx2y2 -0.006278 -0.006065 -0.001350 -0.025669 -0.014337 -0.027554 31O 2dxy -0.011277 0.026549 0.005474 -0.016826 -0.020351 -0.024989 31O 1f0 -0.001297 -0.000584 0.000277 0.000128 0.001388 0.001831 31O 1f+1 -0.000247 -0.000376 0.000433 -0.000355 -0.000378 -0.000094 31O 1f-1 0.001167 0.001077 -0.000118 -0.000626 -0.000100 0.000727 31O 1f+2 0.000103 0.000620 -0.000530 -0.000737 0.000061 0.000103 31O 1f-2 0.000644 0.001062 -0.000633 -0.000782 0.000058 -0.002271 31O 1f+3 0.000303 -0.001359 -0.000449 -0.001221 -0.001017 -0.000126 31O 1f-3 -0.000894 0.001167 -0.000338 -0.001851 -0.001973 -0.000810 32O 1s 0.001191 0.010840 -0.000533 0.002702 -0.005033 0.002610 32O 2s 0.002624 0.023521 -0.001358 0.005719 -0.010889 0.005255 32O 3s 0.000703 0.012603 0.002815 0.004887 -0.006334 0.009767 32O 4s -0.061184 -0.471103 0.011253 -0.117367 0.236686 -0.123120 32O 5s 0.256376 1.118840 -0.075833 0.249152 -0.649957 0.151666 32O 1pz 0.034571 -0.060959 0.140345 -0.011321 0.006128 0.047026 32O 1px 0.062150 0.006669 0.027898 0.010509 -0.051545 0.023623 32O 1py -0.023207 -0.038091 0.000439 0.033939 0.034702 0.029608 32O 2pz 0.043461 -0.149149 0.294505 -0.042338 0.011223 0.121513 32O 2px 0.152320 0.055537 0.049654 0.018168 -0.131342 0.039302 32O 2py -0.065227 -0.060716 0.010013 0.039653 0.068627 0.047592 32O 3pz -0.188882 0.613316 -1.172740 0.270806 0.074607 -0.657646 32O 3px -0.642221 -0.185469 -0.248484 -0.012454 0.485247 -0.126936 32O 3py 0.333751 0.322058 -0.027881 0.033876 -0.267216 -0.101310 32O 1dz2 0.001068 -0.002390 0.004052 -0.000491 0.000459 0.002721 32O 1dxz -0.003157 0.001112 -0.003677 0.000344 0.000984 -0.001311 32O 1dyz 0.002964 -0.003762 0.007607 -0.001486 -0.000928 0.005248 32O 1dx2y2 0.000782 0.000740 -0.001566 0.000067 -0.000357 -0.001288 32O 1dxy 0.003048 -0.000014 0.002767 -0.002145 -0.002732 0.000729 32O 2dz2 -0.011343 -0.005996 -0.018799 0.005466 0.008654 -0.006899 32O 2dxz 0.007605 -0.011351 0.019732 -0.003686 0.001605 0.008332 32O 2dyz -0.004098 0.002527 -0.012140 0.010190 -0.000147 -0.010494 32O 2dx2y2 -0.005432 0.012484 0.003156 0.001589 -0.009269 0.003317 32O 2dxy -0.005057 0.013721 0.000963 -0.002433 0.015888 -0.008322 32O 1f0 0.000148 0.000926 0.000218 0.000154 -0.000666 0.000282 32O 1f+1 -0.000450 -0.000788 -0.000484 -0.000026 0.000411 -0.000027 32O 1f-1 -0.000184 0.000493 -0.000893 0.000659 -0.000838 0.000178 32O 1f+2 0.000815 -0.000751 0.000911 -0.000085 0.000479 -0.000008 32O 1f-2 0.000349 -0.000019 0.000443 0.000236 -0.000776 -0.000123 32O 1f+3 0.000180 -0.000612 -0.000153 -0.000538 0.000387 -0.000259 32O 1f-3 -0.000481 -0.001281 -0.000276 -0.000451 -0.000115 0.000287 33O 1s -0.004285 -0.000794 -0.005067 -0.001831 -0.003275 0.005327 33O 2s -0.010079 -0.002570 -0.012132 -0.003501 -0.007655 0.013434 33O 3s 0.013666 0.016151 0.012212 -0.018901 0.009001 -0.037260 33O 4s 0.165800 -0.008493 0.040895 0.129122 0.042451 0.041788 33O 5s -1.931703 -0.466225 0.842931 0.532295 0.030406 -0.482016 33O 1pz 0.010157 -0.032473 0.019953 0.024450 -0.003303 -0.023614 33O 1px -0.111795 0.009161 0.043023 -0.024271 -0.016458 0.023446 33O 1py -0.020762 0.018824 -0.017102 0.025132 -0.001339 0.043644 33O 2pz -0.128202 -0.016161 0.121350 0.079490 -0.054758 -0.028973 33O 2px -0.140637 0.022921 0.035240 -0.103783 -0.049831 -0.049844 33O 2py -0.087167 0.121705 -0.046801 0.087464 -0.001717 0.119457 33O 3pz -0.076453 -0.560557 -0.077212 0.481865 0.022736 0.582761 33O 3px 1.513069 0.249446 -0.557596 -0.512512 0.392911 0.024014 33O 3py 0.354131 -0.661128 0.114690 -0.130330 0.083485 -0.053218 33O 1dz2 -0.003863 0.000883 0.000620 0.001311 0.000537 -0.000600 33O 1dxz -0.004881 -0.002888 0.005250 0.005207 -0.004003 0.007222 33O 1dyz -0.000248 0.001053 -0.001711 0.000388 0.000866 0.000081 33O 1dx2y2 0.007025 0.000958 -0.004063 -0.004869 0.001250 -0.003510 33O 1dxy 0.000298 -0.003590 0.000979 0.000068 -0.000289 0.002233 33O 2dz2 -0.004836 0.001731 -0.008696 0.021315 0.017430 0.012436 33O 2dxz 0.059784 0.010737 -0.021747 -0.026380 0.015804 0.007063 33O 2dyz -0.010404 -0.026152 0.021078 0.000196 -0.015142 -0.013079 33O 2dx2y2 -0.031204 0.010116 -0.004634 0.031282 0.011913 0.026231 33O 2dxy 0.002549 -0.011388 0.011393 -0.005454 -0.006302 0.001168 33O 1f0 0.001893 0.000997 -0.000960 -0.001448 -0.001149 0.001001 33O 1f+1 0.000857 0.000539 0.000958 -0.000466 0.000805 -0.000146 33O 1f-1 0.000294 -0.000478 -0.000087 -0.000534 0.001239 0.000326 33O 1f+2 -0.002581 -0.000736 0.000908 0.002155 0.001403 -0.000792 33O 1f-2 0.001312 0.001051 0.000422 -0.000253 0.000778 -0.001114 33O 1f+3 -0.001402 -0.000431 0.000514 0.001846 0.002021 0.000010 33O 1f-3 0.000321 -0.000227 0.000469 -0.000197 -0.000860 0.000089 34O 1s 0.005554 -0.003168 0.005996 0.002536 0.000899 -0.001347 34O 2s 0.013263 -0.006517 0.013733 0.006134 0.001343 -0.003507 34O 3s -0.020419 -0.010508 -0.001702 -0.016995 0.014329 0.007610 34O 4s -0.101069 0.076969 -0.138048 -0.045390 -0.095285 0.042969 34O 5s 0.854620 0.772947 -0.534426 0.864330 0.047984 -0.040992 34O 1pz -0.016667 0.007385 -0.030061 -0.051029 -0.093306 -0.053016 34O 1px -0.037511 -0.013724 0.033784 0.000705 -0.013675 0.045194 34O 1py -0.018064 -0.006485 0.046383 -0.058526 -0.054147 -0.002548 34O 2pz -0.017544 -0.024096 -0.072605 -0.191184 -0.226618 -0.094342 34O 2px 0.021337 -0.019574 -0.011653 0.064083 -0.059839 0.056028 34O 2py -0.081817 0.051323 0.142422 -0.137115 -0.126889 -0.036554 34O 3pz -0.146905 0.100813 0.354638 0.649357 0.752192 0.071356 34O 3px 0.428684 0.808080 -0.659724 0.969290 0.060023 -0.146175 34O 3py 0.254297 -0.724095 -0.512989 -0.228346 0.314721 0.302344 34O 1dz2 -0.000729 0.002753 -0.004428 0.005554 0.002244 -0.001923 34O 1dxz 0.001394 0.002939 -0.003058 0.000707 -0.004095 -0.000933 34O 1dyz 0.000590 -0.002531 -0.000895 -0.001693 -0.000569 0.000400 34O 1dx2y2 0.000382 -0.006541 0.005327 -0.009320 -0.002401 0.000964 34O 1dxy -0.000011 0.004951 0.001102 0.004317 0.000676 -0.003178 34O 2dz2 -0.022330 -0.012937 0.018305 0.024336 0.019699 0.008623 34O 2dxz 0.010494 0.000587 0.007557 0.009207 0.005555 0.007458 34O 2dyz 0.014379 -0.030444 0.003343 -0.026668 -0.013524 -0.002299 34O 2dx2y2 0.024168 0.006262 -0.029579 0.043983 -0.009597 0.009160 34O 2dxy -0.009799 -0.013372 0.003566 -0.011836 0.006354 -0.013734 34O 1f0 0.000111 0.001155 -0.001627 -0.000319 -0.001136 0.000240 34O 1f+1 -0.002497 -0.000776 0.000748 -0.000743 0.001149 0.000125 34O 1f-1 0.001550 0.000586 0.000411 0.001089 0.000104 -0.000111 34O 1f+2 0.000032 -0.001595 0.000475 -0.000314 0.001470 0.000521 34O 1f-2 0.001267 -0.000517 -0.000208 -0.000751 -0.000729 0.000983 34O 1f+3 -0.000785 -0.000221 0.002709 -0.000580 0.002296 -0.000895 34O 1f-3 0.001848 0.000748 0.000855 0.001502 -0.000690 -0.000572 35O 1s -0.001638 -0.006483 -0.000511 -0.003210 -0.004034 0.008154 35O 2s -0.003361 -0.014382 -0.000622 -0.008719 -0.009455 0.019482 35O 3s -0.005852 0.006464 -0.006954 0.040296 0.006845 -0.026495 35O 4s 0.148479 0.219938 0.078489 -0.036900 0.124829 -0.151824 35O 5s -1.017378 -1.339960 -0.419663 -0.845657 -0.583815 0.274260 35O 1pz -0.064110 0.014145 -0.008514 -0.021038 0.061555 0.018127 35O 1px 0.015018 0.058185 -0.047338 0.011654 0.027791 0.005629 35O 1py 0.001233 0.010508 0.021718 -0.050986 -0.066812 -0.052086 35O 2pz -0.140140 -0.049817 -0.031823 -0.005590 0.179849 -0.026030 35O 2px 0.038613 -0.031878 -0.111712 -0.077830 0.070978 0.080146 35O 2py 0.008661 -0.074075 0.058322 -0.151888 -0.122547 -0.175407 35O 3pz 0.399262 0.481814 0.068668 -0.494844 -0.825703 0.845993 35O 3px -0.677190 -0.636891 -0.131587 -1.256737 -0.522040 0.003904 35O 3py -0.290064 -0.015944 -0.205610 -0.452963 -0.072413 1.012503 35O 1dz2 -0.003418 -0.000281 -0.003307 -0.008125 -0.003143 0.003424 35O 1dxz -0.001724 -0.000826 0.000750 0.001182 0.005188 -0.005743 35O 1dyz -0.002082 0.000305 0.000882 -0.000582 0.000249 0.000461 35O 1dx2y2 0.003014 0.002036 0.002509 0.010163 0.002641 -0.000670 35O 1dxy 0.004773 0.003026 0.003378 0.008521 0.002169 -0.005007 35O 2dz2 0.003038 0.032965 0.019005 0.008279 -0.027712 -0.014831 35O 2dxz 0.011679 -0.024334 -0.002616 -0.008819 -0.000545 -0.014025 35O 2dyz -0.024089 0.019215 -0.015937 0.005470 -0.018831 0.022948 35O 2dx2y2 -0.015731 -0.021618 0.006826 -0.042257 -0.005514 -0.017201 35O 2dxy -0.010260 -0.027442 -0.005269 -0.034809 -0.008447 -0.006792 35O 1f0 -0.000968 0.001400 -0.000156 0.001024 0.001573 -0.001166 35O 1f+1 -0.000158 0.002641 0.000171 0.001250 -0.001978 0.000595 35O 1f-1 0.000599 0.000554 -0.000184 0.000379 -0.000237 0.000868 35O 1f+2 0.001789 -0.000843 -0.000198 0.000232 -0.000505 0.000302 35O 1f-2 0.000351 -0.000726 -0.000360 -0.000923 -0.001856 0.002908 35O 1f+3 0.000157 -0.000048 0.000131 0.001136 -0.000533 0.001410 35O 1f-3 -0.000145 0.003190 0.000138 0.002665 -0.000861 -0.000749 228 229 230 231 232 233 0.65964 0.66005 0.66732 0.66836 0.68405 0.69837 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s -0.000348 -0.001150 -0.001245 -0.000803 -0.003161 0.000399 0Rh 2s -0.002124 -0.000562 0.003099 0.000038 0.006667 -0.000921 0Rh 3s -0.003346 -0.007058 -0.005350 -0.004662 -0.014324 0.001756 0Rh 4s 0.011044 0.004668 -0.013225 0.001120 -0.027632 0.003894 0Rh 5s -0.038924 -0.047068 -0.004215 -0.027249 -0.026479 0.002284 0Rh 6s 0.098675 0.168086 0.092061 0.105721 0.263875 -0.031937 0Rh 7s -0.797374 -1.488749 -0.670344 -0.928732 -1.209608 0.295326 0Rh 8s 0.511872 1.990305 0.547901 1.216113 -1.553088 -0.442827 0Rh 1pz 0.002554 0.006106 0.004885 -0.014344 0.000168 0.015423 0Rh 1px -0.003222 0.001425 0.002124 -0.006622 0.001913 0.004736 0Rh 1py 0.005166 -0.012979 -0.001966 -0.000168 0.011743 0.001271 0Rh 2pz -0.009399 -0.021003 -0.016775 0.049409 -0.000436 -0.053514 0Rh 2px 0.010937 -0.005071 -0.007533 0.022665 -0.006221 -0.016357 0Rh 2py -0.017795 0.044810 0.007145 0.000769 -0.040549 -0.004412 0Rh 3pz 0.019446 0.017058 0.012846 -0.040274 -0.002105 0.051059 0Rh 3px -0.006022 0.007246 0.010318 -0.015903 -0.002436 0.014198 0Rh 3py 0.014756 -0.039018 -0.013177 -0.004490 0.035087 0.004224 0Rh 4pz -0.028993 0.034030 0.031747 -0.087920 0.007880 0.064140 0Rh 4px -0.028812 -0.002283 -0.002348 -0.048297 0.043028 0.024663 0Rh 4py 0.028953 -0.067047 0.016513 0.014672 0.062178 0.005506 0Rh 5pz 0.081066 0.027138 0.004570 0.012473 0.006165 0.075105 0Rh 5px 0.004221 0.013925 0.027080 0.004581 -0.086177 0.015926 0Rh 5py 0.014668 -0.034859 -0.057904 -0.037645 0.027530 0.003188 0Rh 6pz 0.091715 -0.905057 -1.066702 1.464701 -0.714046 -1.499815 0Rh 6px 0.550155 -0.319716 -0.095616 0.806954 1.011159 -0.536284 0Rh 6py -0.866525 1.704837 -0.277403 -0.002095 -0.605738 -0.029270 0Rh 1dz2 0.020252 -0.001211 -0.005634 -0.003153 -0.001324 -0.001757 0Rh 1dxz -0.028345 0.018229 0.012939 -0.004330 0.034576 -0.012796 0Rh 1dyz -0.011253 0.002879 -0.007443 0.005919 0.002442 0.001651 0Rh 1dx2y2 -0.011725 0.014307 -0.007435 -0.006977 0.011836 -0.005472 0Rh 1dxy 0.009101 -0.009004 0.030281 0.005753 -0.006471 -0.009720 0Rh 2dz2 -0.003818 0.000906 0.001330 0.002354 -0.000144 0.000354 0Rh 2dxz 0.004695 -0.002535 -0.001673 0.001147 -0.006042 0.001768 0Rh 2dyz 0.001819 -0.000066 0.000938 -0.001800 -0.000119 -0.000277 0Rh 2dx2y2 0.002232 -0.003540 0.000367 0.001058 -0.002271 0.001557 0Rh 2dxy -0.001968 0.001265 -0.005803 -0.001112 0.000856 0.001857 0Rh 3dz2 -0.023586 -0.001494 0.005471 -0.003549 0.003146 0.001983 0Rh 3dxz 0.035856 -0.025167 -0.018436 0.003823 -0.042697 0.017910 0Rh 3dyz 0.014431 -0.005415 0.010714 -0.003931 -0.004263 -0.002231 0Rh 3dx2y2 0.013494 -0.013169 0.013097 0.009402 -0.013903 0.004238 0Rh 3dxy -0.009589 0.012395 -0.035085 -0.006566 0.009110 0.011341 0Rh 4dz2 -0.073516 0.015199 0.024361 0.034261 0.000999 0.007234 0Rh 4dxz 0.093395 -0.051472 -0.034680 0.018861 -0.117147 0.035476 0Rh 4dyz 0.035975 -0.002479 0.019406 -0.032630 -0.004114 -0.003344 0Rh 4dx2y2 0.043596 -0.064401 0.010343 0.018383 -0.043589 0.027664 0Rh 4dxy -0.036649 0.025465 -0.111162 -0.022268 0.017264 0.036540 0Rh 5dz2 0.139824 -0.104362 -0.062399 -0.121947 -0.021355 -0.036952 0Rh 5dxz -0.172516 0.013831 0.016289 -0.056236 0.185786 -0.007342 0Rh 5dyz -0.041974 -0.046799 0.019752 0.130542 -0.012002 -0.044447 0Rh 5dx2y2 -0.073797 0.216926 0.068708 0.042872 0.114500 -0.089274 0Rh 5dxy 0.111159 -0.018716 0.250314 0.074743 0.006636 -0.098973 0Rh 1f0 -0.012504 0.007529 -0.001873 0.006738 0.002215 0.005680 0Rh 1f+1 -0.018240 0.005092 0.002843 -0.001184 0.014267 0.003371 0Rh 1f-1 0.005088 -0.002315 -0.003353 0.000628 -0.002586 0.003459 0Rh 1f+2 -0.007253 -0.005290 -0.001932 0.005150 -0.001663 -0.003564 0Rh 1f-2 0.003592 -0.007400 -0.003287 -0.014635 0.001745 -0.006354 0Rh 1f+3 -0.008089 0.002226 0.002418 -0.005194 -0.001070 0.003192 0Rh 1f-3 0.010845 -0.004360 0.007838 0.008272 0.013618 0.001695 1Rh 1s -0.000781 -0.000667 0.001329 -0.000626 0.003174 -0.000388 1Rh 2s -0.000052 -0.002338 -0.003045 -0.000337 -0.006710 0.000927 1Rh 3s -0.004587 -0.005339 0.005872 -0.003861 0.014368 -0.001690 1Rh 4s 0.001546 0.012620 0.012826 0.002674 0.027827 -0.003939 1Rh 5s -0.027833 -0.052658 0.007782 -0.025812 0.026356 -0.001842 1Rh 6s 0.106454 0.146504 -0.104515 0.091033 -0.264445 0.030373 1Rh 7s -1.019095 -1.272603 0.785950 -0.821653 1.211784 -0.277793 1Rh 8s 1.702617 1.336421 -0.708512 1.116437 1.551319 0.416678 1Rh 1pz -0.005106 -0.004542 0.001928 0.015146 0.000585 0.015201 1Rh 1px -0.002689 0.002495 0.000897 0.006964 0.001996 0.004706 1Rh 1py 0.013769 0.000788 -0.001570 0.000149 0.011765 0.001129 1Rh 2pz 0.017310 0.016194 -0.006571 -0.052189 -0.001880 -0.052750 1Rh 2px 0.009356 -0.008368 -0.003322 -0.023884 -0.006508 -0.016259 1Rh 2py -0.047534 -0.002774 0.005805 -0.000641 -0.040628 -0.003918 1Rh 3pz -0.009141 -0.024123 0.004122 0.042936 -0.000789 0.050435 1Rh 3px -0.009475 0.002627 0.007112 0.017687 -0.002212 0.014197 1Rh 3py 0.041362 0.003404 -0.012550 0.003114 0.035238 0.003706 1Rh 4pz -0.046780 0.014998 0.015310 0.091174 0.009883 0.062772 1Rh 4px -0.009469 0.029325 -0.010363 0.047526 0.043573 0.024205 1Rh 4py 0.070933 0.000915 0.020824 -0.009909 0.061966 0.005024 1Rh 5pz 0.009453 -0.086851 0.002741 -0.008395 0.007114 0.075331 1Rh 5px -0.011823 -0.013560 0.026261 0.000006 -0.086226 0.016201 1Rh 5py 0.040180 0.002385 -0.062770 0.028115 0.028167 0.003510 1Rh 6pz 0.906277 0.273701 -0.739983 -1.618793 -0.754567 -1.480537 1Rh 6px 0.547122 -0.331696 0.061232 -0.804306 0.999064 -0.520005 1Rh 6py -1.902576 0.123684 -0.315632 -0.109012 -0.595570 -0.086002 1Rh 1dz2 -0.009280 0.017700 0.006584 -0.002581 0.001317 0.001460 1Rh 1dxz 0.027875 -0.019022 -0.011962 -0.004779 -0.034932 0.012709 1Rh 1dyz 0.006421 -0.009042 0.006718 0.007512 -0.002641 -0.001387 1Rh 1dx2y2 0.017580 -0.005593 0.008756 -0.004351 -0.012102 0.005401 1Rh 1dxy -0.011415 0.006138 -0.030684 -0.000053 0.006582 0.009281 1Rh 2dz2 0.002332 -0.003005 -0.001772 0.002192 0.000151 -0.000380 1Rh 2dxz -0.004126 0.003333 0.001435 0.001155 0.006111 -0.001786 1Rh 2dyz -0.000673 0.001601 -0.000665 -0.001966 0.000123 0.000242 1Rh 2dx2y2 -0.004158 0.000771 -0.000578 0.000694 0.002325 -0.001597 1Rh 2dxy 0.001846 -0.001544 0.005884 -0.000024 -0.000885 -0.001773 1Rh 3dz2 0.008301 -0.022021 -0.005499 -0.004004 -0.003160 -0.001295 1Rh 3dxz -0.037395 0.023274 0.017491 0.004671 0.043114 -0.017670 1Rh 3dyz -0.009819 0.011004 -0.010449 -0.006365 0.004639 0.001854 1Rh 3dx2y2 -0.016940 0.007632 -0.014830 0.005772 0.014201 -0.003933 1Rh 3dxy 0.014673 -0.005535 0.035531 0.000268 -0.009206 -0.010826 1Rh 4dz2 0.043117 -0.059254 -0.031203 0.031511 -0.000908 -0.007215 1Rh 4dxz -0.083219 0.065834 0.030681 0.019312 0.118400 -0.035588 1Rh 4dyz -0.014274 0.031215 -0.014665 -0.036334 0.004303 0.002589 1Rh 4dx2y2 -0.076532 0.016700 -0.014056 0.011054 0.044545 -0.028085 1Rh 4dxy 0.036202 -0.028231 0.112806 -0.001330 -0.017818 -0.034920 1Rh 5dz2 -0.150306 0.082775 0.083454 -0.115421 0.021502 0.039495 1Rh 5dxz 0.076149 -0.150841 -0.006030 -0.052100 -0.187664 0.008753 1Rh 5dyz -0.031391 -0.052837 -0.039278 0.124600 0.014347 0.045763 1Rh 5dx2y2 0.230577 0.011968 -0.072905 0.044116 -0.115824 0.091233 1Rh 5dxy -0.059024 0.103288 -0.256962 0.028367 -0.004436 0.094920 1Rh 1f0 -0.011433 0.008081 -0.000967 -0.007339 0.002227 0.005798 1Rh 1f+1 -0.012912 0.015347 0.004106 0.000909 0.013536 0.003434 1Rh 1f-1 0.004993 -0.003847 -0.004274 -0.000925 -0.002056 0.003477 1Rh 1f+2 0.002755 0.008792 -0.001275 -0.005600 -0.001581 -0.003430 1Rh 1f-2 0.006577 0.000833 -0.003794 0.013986 0.001244 -0.006677 1Rh 1f+3 -0.005237 0.006834 0.001515 0.005332 -0.001078 0.003259 1Rh 1f-3 0.008977 -0.008841 0.008004 -0.006615 0.014021 0.001564 2C 1s -0.003048 -0.000448 0.004305 0.001731 0.003820 -0.000121 2C 2s -0.009977 -0.003727 0.012160 0.003869 0.008895 -0.003261 2C 3s 0.014155 0.038254 -0.015565 0.002837 0.038774 0.075096 2C 4s -0.020800 -0.356289 -0.056923 -0.038416 -0.172509 -0.446284 2C 5s 1.152244 3.652668 -3.961361 1.740366 -3.706331 -1.099750 2C 1pz 0.013486 0.008516 -0.017829 0.018426 0.029615 0.012932 2C 1px -0.004272 0.015561 -0.005257 0.008293 -0.002536 -0.009511 2C 1py 0.004011 0.005336 -0.012631 0.010606 -0.008435 0.009677 2C 2pz -0.023569 -0.062875 -0.209554 0.140399 -0.067918 -0.082105 2C 2px -0.058945 0.019316 0.035013 0.051752 -0.053845 -0.153111 2C 2py 0.121372 0.079285 0.075635 -0.059646 -0.075895 -0.095689 2C 3pz -0.090350 0.520344 -1.276194 0.522544 -1.164626 -0.379368 2C 3px -0.413135 -0.190202 0.360476 -0.096543 -0.480397 -0.613321 2C 3py 0.731131 0.829562 -0.185704 0.121855 -0.070279 -0.429146 2C 1dz2 0.000167 0.000640 0.000228 -0.001897 -0.004852 -0.002700 2C 1dxz -0.001999 -0.001291 -0.000429 -0.000095 -0.002174 -0.000968 2C 1dyz 0.000165 0.000752 -0.004525 0.003353 -0.002240 -0.002653 2C 1dx2y2 -0.000600 -0.000638 -0.001846 0.000387 0.000257 0.003387 2C 1dxy 0.003642 0.003406 0.003325 -0.000341 0.003510 0.000264 2C 2dz2 0.040632 0.018460 0.064237 -0.021750 -0.034189 -0.036805 2C 2dxz 0.120787 -0.005575 0.016208 -0.028006 0.024022 0.053944 2C 2dyz -0.081194 0.037235 0.052386 0.029510 0.008246 -0.093423 2C 2dx2y2 0.082548 0.021239 0.189422 -0.115643 -0.077579 -0.069605 2C 2dxy -0.114123 -0.182036 -0.161505 0.024767 -0.161077 0.023565 2C 1f0 0.008887 0.005920 0.007211 -0.002011 0.000857 -0.003224 2C 1f+1 -0.001214 -0.003375 -0.005868 0.005112 -0.001504 -0.002186 2C 1f-1 0.004420 0.001022 -0.006025 0.000694 -0.005115 -0.000216 2C 1f+2 -0.004008 -0.005655 0.003188 0.003509 0.005698 0.001434 2C 1f-2 0.008222 0.000497 -0.004486 -0.000108 -0.005584 -0.000804 2C 1f+3 -0.001686 0.000217 0.007421 0.000567 0.003345 -0.002416 2C 1f-3 -0.004298 0.002370 0.001462 -0.000748 -0.000576 -0.000705 3C 1s -0.006013 0.002596 -0.001453 -0.003166 0.004464 0.000838 3C 2s -0.017009 0.004326 -0.004810 -0.010770 0.014311 0.000800 3C 3s -0.000957 0.038767 0.020555 0.046765 -0.090757 0.042092 3C 4s 0.034640 -0.307252 0.010977 -0.356125 0.517227 -0.164612 3C 5s 7.509013 -1.741830 0.252691 2.230222 -3.076025 -2.288899 3C 1pz 0.015395 0.004961 0.012851 0.004125 -0.001292 -0.011331 3C 1px 0.002094 0.004202 0.004890 0.004887 -0.018287 0.008524 3C 1py -0.012536 -0.012711 -0.015375 0.004844 0.005255 -0.018981 3C 2pz 0.113699 -0.036578 0.133909 0.090523 0.049798 -0.111307 3C 2px 0.025748 -0.103089 0.078831 0.137656 -0.008156 0.014367 3C 2py -0.148230 0.019531 0.044636 0.164059 -0.100581 0.066215 3C 3pz 1.235789 -0.044812 0.392782 0.624370 -0.574483 0.141008 3C 3px 0.521138 -0.606044 0.333016 0.297763 0.016450 -0.218592 3C 3py -1.630090 0.644239 0.327521 0.038786 0.276501 0.847919 3C 1dz2 -0.000814 0.001147 -0.003211 -0.003090 -0.000123 0.001497 3C 1dxz 0.002071 -0.003053 0.002585 0.001494 0.001808 -0.000908 3C 1dyz -0.004764 0.000540 -0.000241 0.000196 0.001006 -0.000951 3C 1dx2y2 -0.001659 0.003451 0.002474 0.000940 -0.001175 0.003403 3C 1dxy -0.001977 0.000055 0.001338 0.001061 -0.002862 0.003780 3C 2dz2 0.078686 0.003162 0.063344 0.030977 -0.086082 0.093095 3C 2dxz -0.000023 0.062936 -0.196013 -0.221017 0.009019 0.026855 3C 2dyz 0.008459 0.048384 0.038713 0.041245 -0.040729 0.045781 3C 2dx2y2 -0.044261 -0.039640 -0.157432 -0.143902 -0.045408 0.028784 3C 2dxy 0.003220 0.034479 0.017967 0.040068 0.068897 -0.035652 3C 1f0 -0.001654 0.000001 -0.004229 -0.004511 -0.001575 0.002178 3C 1f+1 0.000926 -0.001586 0.002841 0.004717 -0.002276 -0.001846 3C 1f-1 0.005091 0.000113 0.004967 0.004104 -0.000697 0.002605 3C 1f+2 -0.014407 0.000077 -0.003196 -0.004882 0.001026 0.005098 3C 1f-2 -0.008005 0.003218 -0.000581 -0.006858 0.003332 -0.000024 3C 1f+3 0.002355 -0.000140 -0.007236 -0.006234 0.000320 0.001890 3C 1f-3 -0.003552 -0.000387 -0.008101 -0.004361 -0.001336 0.001508 4C 1s -0.002099 0.002558 -0.000820 0.004945 0.005121 -0.006092 4C 2s -0.007134 0.005892 -0.000306 0.010782 0.014615 -0.014216 4C 3s 0.093633 0.014635 0.017922 0.037138 -0.191834 -0.069942 4C 4s -0.293487 -0.286977 -0.558085 -0.585389 0.706429 0.930337 4C 5s -1.525342 -2.990889 1.209381 -1.329909 2.961435 1.149279 4C 1pz 0.043326 -0.021473 -0.027429 -0.054222 -0.061993 0.049675 4C 1px -0.024953 0.028603 0.021592 0.064205 0.014981 -0.016380 4C 1py 0.051185 0.007957 -0.006276 -0.009357 -0.013953 0.022726 4C 2pz -0.004016 -0.238417 -0.112773 -0.362400 0.101835 0.188320 4C 2px -0.037744 0.160826 -0.072012 0.554791 -0.081430 -0.149166 4C 2py -0.075117 0.011524 -0.014140 -0.048814 0.003421 0.133057 4C 3pz -0.120716 0.485527 -1.985310 1.062360 -1.173549 -2.066103 4C 3px 0.555106 0.578449 -1.007688 0.798002 0.283170 0.130337 4C 3py -1.222283 0.519609 -1.535447 0.681068 -1.456779 -0.767407 4C 1dz2 0.000350 0.006347 -0.006825 0.000122 -0.002682 0.000685 4C 1dxz 0.004005 0.013825 0.000151 0.005478 -0.001705 -0.005129 4C 1dyz 0.011001 0.004245 -0.004830 0.000562 -0.005143 -0.000246 4C 1dx2y2 -0.006005 0.001936 0.005158 -0.008881 0.010231 0.005932 4C 1dxy -0.005432 -0.001049 -0.008464 0.004215 0.000333 0.002394 4C 2dz2 -0.045154 -0.103640 0.078834 0.034535 0.122659 -0.056272 4C 2dxz -0.017734 -0.009891 0.032095 0.205153 -0.032606 -0.198995 4C 2dyz -0.192739 -0.033644 0.164439 -0.099063 0.100449 0.058272 4C 2dx2y2 0.084999 -0.042338 -0.196097 0.049391 0.158872 0.087529 4C 2dxy -0.038519 -0.061292 -0.051845 0.103716 -0.031989 0.043930 4C 1f0 0.002789 0.001676 0.000731 0.004144 -0.005884 -0.005761 4C 1f+1 -0.001745 0.005416 0.003218 0.008563 -0.012786 -0.012197 4C 1f-1 -0.001739 -0.003582 -0.001305 -0.003226 -0.004547 -0.004473 4C 1f+2 -0.004792 -0.005446 -0.006584 -0.010360 0.017720 0.012979 4C 1f-2 0.003282 -0.001122 0.003166 0.009911 -0.001610 -0.008341 4C 1f+3 -0.003075 0.004495 0.006354 -0.011622 0.004448 0.004696 4C 1f-3 0.011378 -0.000518 0.007396 -0.003660 -0.008275 -0.007270 5C 1s -0.003121 0.002833 -0.001230 -0.005515 0.005219 -0.000973 5C 2s -0.010775 0.007533 -0.003751 -0.013740 0.012437 -0.001593 5C 3s 0.141979 -0.039068 -0.028508 0.059433 0.050410 -0.079651 5C 4s -0.124453 -0.212185 0.534129 0.128111 -0.942260 0.584822 5C 5s -4.624869 0.224101 0.556327 -2.314548 1.254424 1.717203 5C 1pz 0.021066 0.006958 -0.007078 0.011748 -0.025288 0.003008 5C 1px -0.012572 -0.000150 0.055182 0.117743 0.004170 -0.000916 5C 1py -0.049853 0.017560 -0.011162 -0.025620 0.065157 0.001982 5C 2pz 0.003265 0.075583 0.072646 -0.164844 -0.126123 -0.060851 5C 2px -0.112243 -0.312833 0.088725 0.746850 -0.193576 0.138603 5C 2py 0.021452 0.022599 -0.090791 0.114349 0.091404 -0.077315 5C 3pz 1.559713 -1.385885 -0.302695 -0.874573 -0.317711 -1.345590 5C 3px 1.538458 -0.741857 0.186193 0.155220 0.029187 -0.925937 5C 3py -3.208663 1.856383 -0.379740 0.789283 -0.038094 0.709077 5C 1dz2 -0.001452 0.002072 0.001803 -0.001883 0.008969 -0.003011 5C 1dxz 0.006622 0.002368 -0.002723 -0.002546 0.004355 -0.004066 5C 1dyz -0.008373 -0.001883 -0.003019 -0.001903 0.003618 0.000628 5C 1dx2y2 -0.010731 -0.000478 0.002915 0.000547 0.002242 0.004153 5C 1dxy -0.010358 0.003919 -0.008021 -0.015139 0.001335 0.001954 5C 2dz2 0.036225 -0.004900 -0.004038 0.072732 -0.003237 -0.178688 5C 2dxz -0.106271 -0.076446 -0.106059 0.067999 0.094337 -0.078143 5C 2dyz 0.201706 -0.021375 -0.024869 0.115428 0.011814 0.046404 5C 2dx2y2 0.061303 -0.081132 0.096611 0.196230 -0.218809 0.023275 5C 2dxy 0.144123 0.104053 0.140494 -0.085682 0.049518 -0.138152 5C 1f0 -0.000437 -0.002155 -0.006901 0.007814 -0.000819 0.004488 5C 1f+1 0.006227 0.005006 0.003974 -0.005104 0.013837 -0.008324 5C 1f-1 -0.001539 -0.003291 0.000751 0.002482 0.001218 0.006081 5C 1f+2 -0.000681 0.002731 0.005733 0.002945 -0.005301 -0.001751 5C 1f-2 -0.001535 0.011910 0.004629 -0.017288 -0.005201 0.003472 5C 1f+3 0.007748 0.002790 -0.004635 -0.007209 0.010568 -0.010677 5C 1f-3 -0.009248 0.001739 0.010014 0.002675 -0.004786 0.008094 6C 1s 0.004058 -0.002041 0.001629 -0.005144 -0.005053 0.001203 6C 2s 0.011589 -0.007610 0.004803 -0.012587 -0.012060 0.002131 6C 3s -0.087609 0.113427 0.019006 0.060294 -0.050770 0.078564 6C 4s -0.189386 -0.155492 -0.508045 0.025710 0.929816 -0.590391 6C 5s 1.950410 -4.105828 -0.132724 -2.254190 -1.279519 -1.671898 6C 1pz 0.001392 -0.024114 -0.006953 -0.012245 -0.025267 0.003430 6C 1px -0.001571 0.009364 0.073164 -0.106849 0.004758 0.000483 6C 1py -0.036191 0.041021 -0.011667 0.020353 0.064653 0.000936 6C 2pz -0.063583 -0.039395 0.029595 0.172755 -0.120270 -0.062610 6C 2px 0.263946 0.211652 0.221605 -0.711327 -0.202750 0.152434 6C 2py -0.021978 -0.017293 -0.051784 -0.129223 0.083546 -0.077123 6C 3pz 1.833860 -0.820094 -0.385725 0.875825 -0.322878 -1.366678 6C 3px 1.280178 -1.064186 0.268052 -0.081404 -0.003077 -0.879099 6C 3py -2.865734 2.145613 -0.348767 -0.959040 -0.028534 0.758153 6C 1dz2 0.002888 -0.000636 -0.001720 -0.002043 -0.008930 0.003016 6C 1dxz -0.000063 0.006445 0.002870 -0.002270 -0.004328 0.003892 6C 1dyz 0.001448 -0.008616 0.002961 -0.001081 -0.003471 -0.000628 6C 1dx2y2 0.003021 -0.009755 -0.002540 0.000369 -0.002474 -0.004431 6C 1dxy 0.007727 -0.008179 0.010713 -0.013149 -0.001768 -0.001621 6C 2dz2 -0.019348 0.031221 -0.009391 0.072252 0.006901 0.176090 6C 2dxz -0.032696 -0.132238 0.088290 0.089144 -0.093469 0.075565 6C 2dyz -0.095336 0.178576 0.005683 0.109759 -0.010913 -0.044947 6C 2dx2y2 -0.102010 0.031637 -0.126643 0.167421 0.222340 -0.026337 6C 2dxy 0.039458 0.173363 -0.116068 -0.107820 -0.052538 0.136876 6C 1f0 0.001707 0.001358 -0.005124 -0.008663 -0.000984 0.004566 6C 1f+1 -0.002643 -0.007471 0.003097 0.005443 0.013910 -0.008368 6C 1f-1 0.002438 0.002596 0.001255 -0.002271 0.001212 0.005980 6C 1f+2 -0.002591 -0.000608 0.005951 -0.002032 -0.005331 -0.001712 6C 1f-2 -0.011441 -0.003325 0.000942 0.017530 -0.004859 0.003326 6C 1f+3 -0.000039 -0.007559 -0.005632 0.006231 0.010683 -0.010823 6C 1f-3 -0.004658 0.007341 0.009953 -0.001070 -0.004642 0.008155 7C 1s 0.002553 -0.000604 0.000630 0.005217 -0.005418 0.005996 7C 2s 0.006774 -0.003413 -0.000025 0.011242 -0.015302 0.014019 7C 3s -0.021713 0.090312 -0.022350 0.030208 0.192445 0.069853 7C 4s -0.123141 -0.407414 0.587528 -0.479322 -0.685680 -0.926150 7C 5s -1.972755 -2.691165 -1.154190 -1.570500 -2.899599 -1.166268 7C 1pz 0.032321 -0.027645 -0.032958 0.051754 -0.062797 0.048410 7C 1px -0.029916 0.008053 0.030217 -0.062089 0.015012 -0.015575 7C 1py 0.012208 -0.049224 -0.006982 0.009653 -0.013649 0.021902 7C 2pz 0.193907 0.118518 -0.147531 0.346743 0.098656 0.186506 7C 2px -0.127882 -0.057188 0.014518 -0.575808 -0.092766 -0.148327 7C 2py -0.044442 0.064913 -0.010601 0.043172 -0.001997 0.129573 7C 3pz -0.298962 -0.160860 -1.922960 -1.452595 -1.140242 -2.043193 7C 3px -0.250608 -0.734285 -0.870121 -0.960103 0.298283 0.120151 7C 3py -0.834424 0.857551 -1.486561 -0.998079 -1.445905 -0.761111 7C 1dz2 0.005514 0.002660 0.006990 0.001244 0.002542 -0.000885 7C 1dxz 0.010506 0.009466 -0.000185 0.005849 0.001491 0.005232 7C 1dyz -0.000566 0.011796 0.005016 0.001266 0.004954 0.000237 7C 1dx2y2 0.004716 -0.004951 -0.004187 -0.009383 -0.009974 -0.005797 7C 1dxy 0.001014 -0.005584 0.007116 0.005764 -0.000090 -0.002320 7C 2dz2 -0.077379 -0.083000 -0.084975 0.020352 -0.121413 0.054706 7C 2dxz -0.011689 -0.007205 -0.061493 0.201900 0.036038 0.197395 7C 2dyz 0.049513 -0.186410 -0.148118 -0.119869 -0.100380 -0.054996 7C 2dx2y2 -0.075403 0.055769 0.183015 0.081705 -0.158202 -0.089738 7C 2dxy -0.045135 -0.051670 0.029478 0.110132 0.038151 -0.046787 7C 1f0 -0.000307 -0.003507 0.001105 -0.003908 -0.005944 -0.005627 7C 1f+1 -0.004999 -0.000796 0.003879 -0.008059 -0.012629 -0.012101 7C 1f-1 0.002471 0.003296 -0.001769 0.003094 -0.004388 -0.004505 7C 1f+2 0.002557 0.007428 -0.007476 0.009182 0.017745 0.013095 7C 1f-2 0.002922 -0.003092 0.004450 -0.009525 -0.001854 -0.008246 7C 1f+3 -0.005848 0.001491 0.004350 0.012403 0.004676 0.004586 7C 1f-3 0.004711 -0.010046 0.006179 0.005303 -0.007851 -0.007342 8C 1s 0.004796 -0.004671 0.001805 -0.002561 -0.004470 -0.000814 8C 2s 0.010747 -0.014404 0.006085 -0.008961 -0.014347 -0.000690 8C 3s 0.035630 0.015774 -0.027036 0.042360 0.090918 -0.043307 8C 4s -0.291917 -0.092083 0.042300 -0.357642 -0.517232 0.176105 8C 5s -4.434478 6.133114 -0.685301 1.905130 3.103126 2.252226 8C 1pz 0.001415 -0.015466 0.012908 -0.001266 -0.001156 -0.011074 8C 1px -0.003917 -0.003203 0.006163 -0.003224 -0.018632 0.008788 8C 1py 0.007830 0.016892 -0.014951 -0.007318 0.005264 -0.018407 8C 2pz 0.078917 -0.092118 0.149488 -0.063917 0.046770 -0.108567 8C 2px 0.102939 0.011916 0.101766 -0.115850 -0.010877 0.013144 8C 2py -0.070791 0.122961 0.071252 -0.157505 -0.104347 0.069512 8C 3pz 0.508898 -1.127741 0.512190 -0.513971 -0.587721 0.140172 8C 3px 0.749296 -0.257283 0.385209 -0.208502 0.015133 -0.239704 8C 3py -1.200200 1.193730 0.302140 -0.036379 0.284600 0.837787 8C 1dz2 0.001365 -0.000400 0.003771 -0.002466 0.000021 -0.001436 8C 1dxz -0.003585 0.000833 -0.002902 0.000999 -0.001691 0.000953 8C 1dyz 0.002208 -0.004137 0.000267 0.000395 -0.001030 0.000862 8C 1dx2y2 0.003792 -0.000077 -0.002502 0.000616 0.001140 -0.003345 8C 1dxy 0.000847 -0.001539 -0.001463 0.000833 0.002909 -0.003764 8C 2dz2 -0.026835 0.077681 -0.066533 0.016907 0.086923 -0.089278 8C 2dxz 0.059415 0.011293 0.230672 -0.183229 -0.014513 -0.024524 8C 2dyz 0.041842 0.029159 -0.044865 0.033498 0.041582 -0.046346 8C 2dx2y2 -0.016114 -0.059368 0.178780 -0.114971 0.044168 -0.024647 8C 2dxy 0.024687 0.012107 -0.020574 0.037066 -0.070344 0.031753 8C 1f0 -0.000653 0.001660 -0.004874 0.003661 -0.001517 0.002064 8C 1f+1 0.001819 -0.000273 0.003542 -0.004045 -0.002337 -0.001824 8C 1f-1 0.001766 -0.004958 0.005573 -0.002983 -0.000743 0.002538 8C 1f+2 -0.005652 0.013273 -0.003573 0.003786 0.001073 0.004999 8C 1f-2 -0.006102 0.006434 -0.001649 0.006287 0.003425 0.000053 8C 1f+3 0.000913 -0.001741 -0.008167 0.004977 0.000550 0.001750 8C 1f-3 -0.001125 0.003764 -0.008667 0.002999 -0.001259 0.001422 9C 1s 0.000851 -0.002906 -0.004499 0.001045 -0.003807 0.000057 9C 2s 0.000698 -0.010446 -0.012609 0.001945 -0.008836 0.003109 9C 3s 0.028888 0.029164 0.015115 0.005954 -0.038548 -0.074677 9C 4s -0.311536 -0.174755 0.055634 -0.036598 0.174636 0.440552 9C 5s 2.562352 2.656088 3.880706 2.503459 3.621800 1.118062 9C 1pz -0.002101 -0.015122 -0.015250 -0.020919 0.029399 0.014089 9C 1px -0.015378 -0.003218 -0.004286 -0.010013 -0.002552 -0.009728 9C 1py -0.003225 -0.005424 -0.011018 -0.012687 -0.008258 0.009670 9C 2pz 0.052774 0.052441 -0.181739 -0.171936 -0.069564 -0.075476 9C 2px -0.035562 0.044390 0.035752 -0.054980 -0.058895 -0.152145 9C 2py -0.028311 -0.142738 0.059035 0.070495 -0.072579 -0.100018 9C 3pz -0.429642 -0.157778 -1.218449 -0.748646 -1.144323 -0.369295 9C 3px 0.031856 0.456668 0.303319 0.124689 -0.494727 -0.609550 9C 3py -0.425663 -1.015686 -0.222814 -0.177026 -0.058130 -0.447820 9C 1dz2 0.000573 0.000545 0.000192 -0.001874 0.004770 0.002729 9C 1dxz -0.000564 -0.002454 0.000439 -0.000033 0.002168 0.000975 9C 1dyz 0.000309 0.000504 0.004038 0.004074 0.002220 0.002596 9C 1dx2y2 -0.000394 -0.000853 0.001670 0.000548 -0.000257 -0.003404 9C 1dxy 0.001618 0.004681 -0.002946 -0.000791 -0.003562 -0.000271 9C 2dz2 -0.000860 0.045772 -0.057275 -0.032205 0.032018 0.040409 9C 2dxz -0.045914 0.111025 -0.013336 -0.037017 -0.028009 -0.054480 9C 2dyz 0.064744 -0.055496 -0.053800 0.027343 -0.006370 0.092209 9C 2dx2y2 -0.005901 0.090380 -0.164651 -0.144087 0.072834 0.074224 9C 2dxy -0.119529 -0.177591 0.141412 0.042091 0.166070 -0.025363 9C 1f0 -0.001883 -0.010527 0.006376 0.003028 0.001096 -0.003416 9C 1f+1 0.002771 0.002252 -0.004672 -0.005894 -0.001698 -0.002065 9C 1f-1 0.000730 -0.004063 -0.005638 -0.001555 -0.005042 -0.000192 9C 1f+2 0.003454 0.005917 0.004133 -0.002851 0.005773 0.001455 9C 1f-2 0.002816 -0.007652 -0.004398 -0.000339 -0.005350 -0.000689 9C 1f+3 -0.000879 0.000963 0.007260 0.000550 0.003332 -0.002425 9C 1f-3 -0.003826 0.003136 0.001455 0.000677 -0.000585 -0.000825 10H 1s -0.000213 0.001899 -0.000683 0.011090 0.014347 0.003953 10H 2s -0.117620 -0.217715 -0.037433 0.125514 0.298171 0.142037 10H 3s 0.067912 -0.231634 -0.132608 -0.055971 0.326129 0.163729 10H 1pz -0.016436 -0.019074 -0.007880 -0.001175 -0.001787 0.009857 10H 1px -0.001313 0.002392 0.015239 -0.008859 -0.009288 -0.014752 10H 1py 0.011551 -0.003378 0.016228 -0.015622 0.004850 -0.001927 11H 1s -0.010224 -0.012633 0.003352 0.006510 0.007385 0.000615 11H 2s -0.475927 -0.330535 0.041636 0.211416 0.138052 -0.155449 11H 3s -0.566312 -0.760896 0.118488 -0.050410 -0.197083 -0.369221 11H 1pz -0.022927 -0.010573 -0.010547 0.016882 0.007688 -0.000280 11H 1px -0.025395 -0.004006 0.005364 0.004405 -0.002796 -0.006528 11H 1py 0.012523 0.017734 0.017758 -0.008657 0.014630 0.005286 12H 1s 0.003751 -0.002238 0.009199 0.001547 0.023370 -0.001252 12H 2s -0.024768 0.050320 0.548270 -0.075118 0.318743 -0.190141 12H 3s 0.084327 -0.174564 0.733925 -0.298272 0.420712 -0.308709 12H 1pz -0.009711 -0.014181 -0.010870 0.005384 -0.009658 0.002848 12H 1px 0.001580 0.001664 0.018680 -0.000489 0.006972 -0.016374 12H 1py 0.006279 0.017568 0.041490 -0.014151 0.007884 -0.005252 13H 1s -0.009094 0.014507 0.007102 -0.002808 0.005582 0.012198 13H 2s -0.318849 0.206471 -0.100251 -0.402446 0.235993 0.107847 13H 3s -0.393610 0.221860 -0.164466 -0.367692 0.193059 0.281479 13H 1pz -0.011463 0.003260 0.000250 -0.007177 0.000781 0.004038 13H 1px 0.000571 -0.014880 0.014465 0.016981 0.004725 -0.003720 13H 1py 0.012089 -0.000861 0.016916 0.029324 -0.003147 0.007526 14H 1s -0.010336 0.001001 0.006471 -0.010556 0.012979 0.013556 14H 2s -0.336163 -0.060489 0.290016 0.080984 0.230007 0.087017 14H 3s -0.451929 -0.210318 0.365758 0.022940 0.349680 0.184664 14H 1pz -0.009843 0.000343 0.016694 0.021674 -0.004587 -0.007234 14H 1px -0.009111 -0.011019 0.026064 0.028568 0.004761 0.001196 14H 1py 0.013073 -0.002840 0.011607 0.005739 -0.010708 0.001267 15H 1s -0.015824 0.006292 -0.004370 -0.019638 0.017793 -0.000451 15H 2s -0.466002 0.021616 -0.257213 -0.536601 0.376883 0.052396 15H 3s -0.576794 -0.338602 -0.325460 -0.699161 0.751258 -0.195779 15H 1pz 0.008552 0.004650 0.016746 0.017135 -0.013456 0.009757 15H 1px -0.002695 -0.007044 0.008780 0.009889 -0.001591 -0.005074 15H 1py 0.015666 -0.004684 0.020460 0.023097 0.003526 -0.009479 16H 1s -0.012058 -0.003096 0.007285 0.010968 -0.013652 -0.014666 16H 2s 0.054622 -0.101852 0.018652 -0.120846 0.106049 0.248210 16H 3s 0.355328 -0.230739 -0.072464 -0.489851 0.218094 0.732535 16H 1pz 0.013610 -0.001149 0.003298 -0.007202 0.005812 0.035366 16H 1px -0.003925 0.001616 0.012396 0.012359 -0.024722 -0.019166 16H 1py 0.001132 -0.012632 -0.011531 -0.015259 0.014371 -0.004069 17H 1s -0.012869 0.009413 0.009403 -0.012063 -0.019325 0.008177 17H 2s -0.097047 -0.184450 -0.129075 -0.093908 0.152095 -0.207432 17H 3s -0.180325 -0.464791 -0.357191 -0.018168 0.441887 -0.438440 17H 1pz 0.011597 -0.001322 -0.001432 0.000559 0.006766 0.017274 17H 1px -0.004696 0.019583 0.020276 0.001101 -0.030060 0.029493 17H 1py -0.005228 -0.013115 -0.011606 -0.006071 0.018263 0.004852 18H 1s 0.014704 -0.007392 -0.007395 -0.013664 0.019390 -0.008693 18H 2s -0.122864 -0.176751 0.124626 -0.067732 -0.143472 0.208838 18H 3s -0.353660 -0.378025 0.316085 0.052775 -0.417657 0.440390 18H 1pz 0.006684 -0.010861 -0.002391 -0.000577 0.006676 0.016718 18H 1px -0.020254 -0.005250 0.019203 0.002655 -0.029986 0.030162 18H 1py 0.009977 0.010770 -0.011836 0.003838 0.017797 0.004730 19H 1s 0.001809 -0.011256 -0.008931 0.009422 0.013923 0.014484 19H 2s -0.125170 0.010149 0.014502 -0.130579 -0.114071 -0.243931 19H 3s -0.391109 0.220358 0.187597 -0.491524 -0.245316 -0.720029 19H 1pz 0.007003 -0.012573 0.000921 0.008252 0.006286 0.035399 19H 1px -0.003268 0.002289 0.014296 -0.010144 -0.024892 -0.018841 19H 1py 0.012159 0.005207 -0.014071 0.013205 0.014590 -0.004416 20H 1s 0.012424 -0.012752 0.007155 -0.017897 -0.017950 0.000636 20H 2s 0.207696 -0.437258 0.334372 -0.466696 -0.384267 -0.044917 20H 3s -0.088212 -0.686459 0.432183 -0.619019 -0.755403 0.203611 20H 1pz -0.000750 -0.010752 0.019493 -0.013932 -0.013877 0.009648 20H 1px 0.005838 0.004993 0.010006 -0.008148 -0.001894 -0.004956 20H 1py 0.010455 -0.013317 0.024199 -0.018719 0.002739 -0.009112 21H 1s 0.005516 -0.009243 -0.005207 -0.011128 -0.012754 -0.013010 21H 2s 0.076722 -0.323462 -0.310744 0.040229 -0.222442 -0.083367 21H 3s -0.021702 -0.465759 -0.372093 -0.026859 -0.343574 -0.168970 21H 1pz -0.003592 0.008147 0.020469 -0.019010 -0.005138 -0.006632 21H 1px 0.007007 0.011234 0.030591 -0.023732 0.004318 0.001376 21H 1py 0.007335 -0.011503 0.012666 -0.003308 -0.011219 0.000968 22H 1s 0.017039 -0.002621 -0.006638 -0.003345 -0.005649 -0.012025 22H 2s 0.316789 -0.224195 0.158225 -0.361365 -0.240308 -0.104746 22H 3s 0.358391 -0.285149 0.215156 -0.319390 -0.190258 -0.277859 22H 1pz -0.007452 0.009178 -0.000339 0.006527 0.000785 0.004155 22H 1px 0.013989 0.004145 0.016819 -0.013781 0.004356 -0.003882 22H 1py 0.005828 -0.011630 0.021657 -0.025650 -0.003425 0.007592 23H 1s -0.002833 0.001714 -0.009271 -0.000024 -0.022939 0.000935 23H 2s 0.066701 -0.000576 -0.517236 -0.154125 -0.316373 0.194692 23H 3s -0.169729 -0.001235 -0.669854 -0.412277 -0.415355 0.314455 23H 1pz 0.009482 0.014208 -0.009115 -0.006474 -0.009711 0.003264 23H 1px -0.000296 -0.002205 0.016890 0.002462 0.006603 -0.016398 23H 1py -0.014162 -0.013849 0.037664 0.020114 0.008296 -0.006369 24H 1s -0.007108 -0.014855 -0.004715 0.005572 -0.007090 -0.001206 24H 2s -0.116553 -0.570106 -0.083955 0.208472 -0.123001 0.143912 24H 3s -0.462874 -0.832881 -0.130187 -0.075415 0.209813 0.357040 24H 1pz 0.001472 0.024776 -0.007016 -0.018966 0.007015 0.000086 24H 1px -0.005698 0.025545 0.005583 -0.004858 -0.003930 -0.006624 24H 1py -0.011833 -0.018296 0.015657 0.011202 0.014896 0.004614 25H 1s 0.001934 0.000685 -0.001277 0.010853 -0.014333 -0.004523 25H 2s -0.140731 -0.196297 -0.001222 0.116044 -0.299136 -0.151628 25H 3s -0.221783 -0.041197 0.111475 -0.055859 -0.327783 -0.166856 25H 1pz 0.010166 0.023159 -0.006739 0.000372 -0.001940 0.010086 25H 1px -0.002577 0.001033 0.012350 0.010093 -0.009861 -0.014926 25H 1py 0.006687 -0.009283 0.013455 0.018483 0.005068 -0.002513 26O 1s -0.007089 -0.003812 0.004700 -0.000484 0.003046 -0.006762 26O 2s -0.015636 -0.008461 0.010506 -0.001203 0.006290 -0.013979 26O 3s -0.002214 0.001407 -0.002957 0.008344 0.011203 -0.018169 26O 4s 0.212755 0.100821 -0.174620 -0.031727 -0.109356 0.368369 26O 5s -0.014646 -0.072894 1.179998 -0.399163 -0.342855 -1.143388 26O 1pz -0.021565 -0.082433 -0.034892 0.018011 -0.027345 -0.050777 26O 1px 0.045089 0.018993 0.003379 0.035385 -0.024278 0.009783 26O 1py -0.047004 0.052757 0.078129 -0.023076 0.004060 -0.001569 26O 2pz -0.056927 -0.223794 -0.122497 0.059589 -0.068991 -0.144822 26O 2px 0.109270 0.021504 -0.080300 0.112942 0.005257 0.082828 26O 2py -0.121324 0.130853 0.190051 -0.064813 -0.025237 0.036274 26O 3pz 0.209572 0.855638 0.278366 -0.154092 0.217840 0.671031 26O 3px -0.669458 -0.030391 -0.337691 0.189590 0.076159 -0.024687 26O 3py 0.526577 -0.333660 -0.831600 0.554727 0.485413 -0.100461 26O 1dz2 0.001382 -0.002618 0.002257 -0.001474 -0.000334 -0.001002 26O 1dxz 0.003878 0.002842 -0.000572 -0.001649 -0.000478 0.006895 26O 1dyz -0.000023 0.000087 0.000332 -0.002291 -0.000387 0.003993 26O 1dx2y2 -0.004373 -0.000428 0.001269 0.001469 -0.001983 0.000507 26O 1dxy 0.004050 -0.001090 -0.005390 0.003255 0.003595 0.001905 26O 2dz2 -0.037569 -0.024402 -0.047035 0.035155 0.006326 0.001052 26O 2dxz -0.010935 -0.018335 -0.005110 0.000948 -0.009018 -0.011569 26O 2dyz -0.000249 0.002280 0.039333 -0.023564 -0.012229 0.002255 26O 2dx2y2 0.007544 -0.005550 -0.015379 0.002464 -0.006755 0.000053 26O 2dxy -0.000194 -0.002317 0.007272 -0.009790 -0.018785 -0.002316 26O 1f0 -0.000917 -0.001135 0.000869 0.000709 0.001205 -0.001286 26O 1f+1 0.002008 0.000127 0.000138 -0.001319 -0.001961 -0.001070 26O 1f-1 0.000021 0.000822 0.000717 -0.000876 -0.000170 0.000842 26O 1f+2 0.001158 0.000261 -0.000438 -0.000223 -0.000923 0.000752 26O 1f-2 0.000328 0.000605 -0.001522 0.000005 -0.000881 0.000880 26O 1f+3 0.002332 -0.000180 -0.001647 0.000383 -0.000560 -0.000038 26O 1f-3 0.000215 -0.000113 0.000694 -0.000788 -0.002422 -0.000533 27O 1s -0.003706 -0.001226 -0.000992 -0.005604 0.007986 0.000775 27O 2s -0.008135 -0.001407 -0.001385 -0.013756 0.016319 0.002262 27O 3s -0.005765 -0.025351 -0.014893 0.031540 0.021273 -0.004944 27O 4s 0.133273 0.141568 0.155370 0.040558 -0.416361 0.038991 27O 5s -0.183337 0.195480 -0.863715 -0.202809 1.389903 -0.639636 27O 1pz 0.003745 -0.067913 0.028924 0.034603 -0.032172 -0.024481 27O 1px 0.000956 0.016903 -0.000073 0.045236 -0.000401 -0.045289 27O 1py 0.031531 0.033075 0.044936 0.029023 -0.064768 -0.000341 27O 2pz -0.009656 -0.169367 0.064440 0.066580 -0.096366 -0.100868 27O 2px -0.040198 0.022814 0.031773 0.156529 -0.133610 0.004510 27O 2py 0.070574 0.082864 0.134608 0.125469 -0.113341 -0.082879 27O 3pz 0.197809 0.573555 0.033001 0.008994 0.422558 0.456058 27O 3px 0.027669 -0.839800 0.308735 0.486325 -0.216223 0.445574 27O 3py -0.199486 -0.113909 -0.567896 -1.027375 0.391783 0.485036 27O 1dz2 -0.000444 0.001777 -0.003464 -0.004075 0.001399 -0.004417 27O 1dxz 0.002400 0.004586 0.000074 -0.000982 -0.001081 0.004213 27O 1dyz 0.001942 0.000384 0.001804 0.001853 0.001953 -0.001794 27O 1dx2y2 0.000541 -0.005016 0.002455 0.009098 -0.004100 0.003622 27O 1dxy -0.001683 -0.001363 -0.005543 -0.006278 0.006454 0.000485 27O 2dz2 -0.008883 -0.027344 0.041043 0.046467 -0.005789 -0.003798 27O 2dxz -0.009434 -0.014413 0.004208 0.008802 0.002214 -0.010784 27O 2dyz 0.029305 0.004988 0.001810 -0.007796 0.015236 0.002953 27O 2dx2y2 0.018302 0.020846 0.029070 0.014387 0.012709 -0.026360 27O 2dxy 0.000184 0.001624 0.002938 0.006305 -0.011490 0.014844 27O 1f0 -0.000568 -0.001292 -0.000263 0.000268 0.000961 -0.000407 27O 1f+1 0.001828 0.000490 -0.000433 -0.001389 0.000849 -0.001502 27O 1f-1 0.000505 -0.000423 0.000089 -0.000032 -0.000220 0.000166 27O 1f+2 0.002138 0.000086 -0.000476 0.000066 -0.000081 0.000465 27O 1f-2 -0.000941 0.000032 -0.000580 -0.000322 -0.000282 0.000415 27O 1f+3 0.003416 0.000183 0.001316 0.001014 0.000305 -0.002150 27O 1f-3 0.000579 -0.000512 -0.000061 0.001280 -0.002289 0.000020 28O 1s -0.002878 -0.005193 0.003045 0.002134 -0.005616 -0.000987 28O 2s -0.006547 -0.012109 0.006873 0.006479 -0.011674 -0.001235 28O 3s 0.004132 0.012506 -0.003138 -0.039563 -0.009518 -0.010619 28O 4s 0.026143 0.020226 -0.103278 0.082545 0.285739 0.135294 28O 5s 0.449962 0.842387 0.529566 0.402787 -1.234156 -0.822272 28O 1pz 0.056605 -0.005563 0.048263 -0.058155 -0.024745 -0.057823 28O 1px 0.008092 -0.048842 0.017288 -0.022568 0.018780 -0.001855 28O 1py -0.137635 -0.011782 -0.056086 -0.016545 -0.044414 0.012884 28O 2pz 0.136583 -0.017403 0.098435 -0.152518 0.108657 -0.059018 28O 2px 0.048782 -0.060971 0.061255 0.010705 -0.038140 -0.124862 28O 2py -0.369875 -0.043368 -0.128401 -0.000023 -0.115833 0.077873 28O 3pz -0.392169 -0.175961 -0.518004 -0.669065 -0.272067 0.615225 28O 3px 0.042343 0.582693 0.185762 0.762336 -0.378678 -0.062417 28O 3py 1.360776 0.030287 0.126720 -0.217032 0.332198 -0.264934 28O 1dz2 0.000649 0.000257 -0.002881 0.000111 0.001367 0.003793 28O 1dxz -0.001159 0.003333 0.003292 0.009180 0.000545 -0.008576 28O 1dyz 0.001983 -0.002300 -0.000430 0.000735 0.002045 0.003128 28O 1dx2y2 0.001018 -0.004193 -0.001746 -0.005318 0.001694 0.001277 28O 1dxy -0.006961 0.001502 0.002244 -0.001581 -0.001145 -0.000447 28O 2dz2 0.016332 0.017033 0.024760 -0.012534 0.016579 -0.022201 28O 2dxz -0.008930 0.003196 0.007357 -0.033839 0.051478 0.008064 28O 2dyz -0.018382 0.002521 0.013241 0.002784 0.001107 0.002184 28O 2dx2y2 0.026856 0.025459 0.021058 0.018894 0.006931 -0.009681 28O 2dxy -0.000665 0.003537 0.003101 -0.001100 0.015133 0.008743 28O 1f0 0.001724 0.000200 -0.000917 0.000141 -0.002598 -0.000583 28O 1f+1 0.000705 -0.000852 0.000130 0.001624 -0.001729 -0.000988 28O 1f-1 0.000425 -0.000468 0.000260 -0.000419 0.000987 -0.000069 28O 1f+2 -0.002020 -0.000625 0.000759 -0.002498 0.002912 0.000992 28O 1f-2 -0.001363 0.000213 0.001144 -0.000027 0.000836 0.000008 28O 1f+3 -0.001561 -0.001336 0.000448 -0.001033 0.001878 0.000352 28O 1f-3 -0.000665 0.000358 -0.000213 -0.000519 -0.000879 -0.000438 29O 1s -0.001398 0.001253 0.000385 0.000259 -0.006194 -0.000405 29O 2s -0.002336 0.003625 0.000984 0.001134 -0.014133 -0.000843 29O 3s -0.014172 -0.015278 -0.002877 -0.009894 0.005776 -0.001106 29O 4s 0.128502 -0.011965 -0.027966 0.005178 0.251828 0.032138 29O 5s -0.349174 0.262709 0.232620 0.172032 -0.805460 -0.155073 29O 1pz -0.055989 -0.015013 -0.007417 0.023480 0.001009 -0.108348 29O 1px 0.036266 -0.009912 -0.045639 -0.003276 0.017828 -0.015628 29O 1py 0.001432 0.044043 0.030535 0.039889 -0.049889 -0.001830 29O 2pz -0.121262 -0.031894 -0.024846 0.082236 -0.002590 -0.252770 29O 2px 0.061096 -0.046314 -0.100192 -0.017848 0.046267 -0.036153 29O 2py -0.009987 0.122229 0.075414 0.085116 -0.118887 -0.009857 29O 3pz 0.450622 0.118775 0.213947 -0.454401 -0.002242 1.209108 29O 3px -0.026648 0.392368 0.392839 0.150122 -0.221271 0.247099 29O 3py 0.070097 -0.560850 -0.268150 -0.312709 0.520006 0.027253 29O 1dz2 0.001287 -0.001343 -0.000250 -0.000967 0.001263 0.004066 29O 1dxz -0.001581 -0.002022 -0.001428 -0.002158 0.001681 -0.002499 29O 1dyz 0.002698 0.001095 0.001575 -0.001521 -0.000091 0.007273 29O 1dx2y2 -0.000001 0.002278 0.000680 0.000861 -0.000842 -0.000995 29O 1dxy 0.000734 0.001834 0.002827 0.001697 -0.002400 0.002274 29O 2dz2 -0.011482 -0.010624 -0.006391 0.008917 0.008011 -0.042819 29O 2dxz 0.014586 0.012407 0.007193 -0.016999 0.003242 0.055353 29O 2dyz -0.008955 0.005507 0.005310 0.012104 -0.013659 -0.010471 29O 2dx2y2 -0.007638 -0.003192 0.006855 -0.008407 -0.014819 0.016648 29O 2dxy 0.012209 -0.029021 -0.033686 -0.011370 0.046614 0.000959 29O 1f0 0.000270 -0.000744 -0.000682 -0.000742 0.001628 0.000303 29O 1f+1 0.000470 0.000478 0.000165 -0.000088 -0.001063 0.001655 29O 1f-1 0.001197 -0.000850 -0.000868 -0.001123 0.001763 0.001811 29O 1f+2 -0.000575 -0.000025 0.000004 0.000377 -0.000727 -0.001880 29O 1f-2 0.000004 -0.001212 -0.001527 0.000263 0.002015 -0.001451 29O 1f+3 -0.000121 0.000522 0.000515 -0.000218 -0.001559 0.000891 29O 1f-3 0.000103 0.000463 -0.000419 -0.000375 -0.000182 0.000722 30O 1s -0.004103 -0.006132 -0.004599 -0.005229 0.000535 -0.004380 30O 2s -0.010169 -0.014718 -0.010180 -0.011872 0.001441 -0.009022 30O 3s 0.021302 0.028389 0.002310 -0.000073 -0.006298 -0.014235 30O 4s -0.030719 0.018207 0.165135 0.084780 -0.020278 0.258398 30O 5s 0.441490 0.220464 -0.792184 1.216233 0.278042 -0.725350 30O 1pz 0.027926 0.015728 -0.097988 -0.058384 -0.047904 -0.032918 30O 1px -0.006330 -0.030818 0.006463 -0.034785 -0.000012 -0.033656 30O 1py -0.009871 0.027271 -0.040333 -0.015474 -0.054855 0.005310 30O 2pz 0.013102 0.075999 -0.176692 -0.218751 -0.112065 -0.137623 30O 2px 0.020732 -0.133831 -0.043765 -0.040955 0.040839 -0.118927 30O 2py -0.013285 0.041124 -0.172334 -0.015059 -0.161514 -0.018437 30O 3pz 0.234999 0.045756 0.584356 0.097227 0.186691 0.706924 30O 3px -0.137090 0.389555 -0.220353 1.014565 -0.010715 0.462598 30O 3py -0.194157 -0.396038 0.420956 0.449506 0.921214 0.047892 30O 1dz2 0.000685 0.000696 0.001435 0.002672 0.002631 0.001658 30O 1dxz -0.002534 -0.000880 -0.002170 0.004780 0.000071 -0.003353 30O 1dyz 0.000368 0.000176 -0.003169 0.001947 0.004119 -0.001694 30O 1dx2y2 0.001171 -0.000809 -0.000949 -0.004117 0.003219 -0.003972 30O 1dxy 0.002979 0.001470 0.000054 -0.002293 -0.006966 -0.000614 30O 2dz2 -0.006105 -0.000421 -0.015845 -0.035872 -0.003175 -0.015910 30O 2dxz -0.012647 0.013775 0.000303 -0.039112 0.004959 -0.009010 30O 2dyz 0.017178 -0.005052 0.022969 -0.013316 -0.013592 0.014151 30O 2dx2y2 -0.014663 0.008801 -0.008877 -0.009972 -0.010596 -0.010714 30O 2dxy 0.009642 -0.018622 -0.018609 0.024822 -0.003980 -0.002533 30O 1f0 0.002444 -0.001391 0.000283 0.001780 -0.000379 -0.001104 30O 1f+1 0.000594 -0.001092 -0.000711 -0.000238 -0.001723 -0.000456 30O 1f-1 -0.000592 -0.000393 -0.000074 0.000369 0.000134 -0.000285 30O 1f+2 -0.001177 0.000403 0.000144 -0.002412 0.001169 -0.000400 30O 1f-2 -0.000641 0.001537 0.001450 -0.001465 -0.000082 -0.000158 30O 1f+3 -0.001188 -0.000344 -0.001291 -0.001093 0.001663 0.000638 30O 1f-3 -0.002753 0.001290 0.000626 -0.002325 -0.000676 0.000586 31O 1s -0.003780 -0.006308 0.005004 -0.004254 -0.000436 0.004450 31O 2s -0.008920 -0.015467 0.010983 -0.009725 -0.001190 0.009173 31O 3s 0.016419 0.031758 0.000712 -0.000067 0.005642 0.014275 31O 4s 0.027818 -0.020842 -0.178661 0.050170 0.018470 -0.258655 31O 5s 0.003748 0.490436 0.587416 1.341665 -0.256270 0.691836 31O 1pz -0.002266 -0.027157 -0.107849 0.041726 -0.047085 -0.032067 31O 1px 0.028989 0.016650 -0.002211 0.034698 0.002035 -0.033941 31O 1py -0.029582 0.001632 -0.040980 0.008557 -0.054799 0.004946 31O 2pz -0.061981 -0.029234 -0.215095 0.184724 -0.108451 -0.135993 31O 2px 0.135974 0.034923 -0.050304 0.033083 0.042292 -0.118412 31O 2py -0.044629 0.003151 -0.170588 -0.013249 -0.160979 -0.019913 31O 3pz 0.042899 -0.279726 0.567182 0.011191 0.194107 0.684324 31O 3px -0.418332 -0.035425 -0.035901 -1.035309 -0.025878 0.471685 31O 3py 0.285243 0.335925 0.535035 -0.379975 0.904768 0.065662 31O 1dz2 0.000378 0.000975 -0.001862 0.002402 -0.002648 -0.001658 31O 1dxz 0.000123 -0.002852 0.001010 0.005105 0.000115 0.003227 31O 1dyz 0.000001 0.000263 0.002645 0.002490 -0.004043 0.001684 31O 1dx2y2 -0.001338 0.000704 0.001759 -0.003760 -0.003299 0.003941 31O 1dxy 0.000152 0.003481 0.000690 -0.002382 0.006883 0.000659 31O 2dz2 0.002123 -0.006619 0.022155 -0.032373 0.002428 0.016569 31O 2dxz 0.017441 -0.007425 0.006817 -0.037916 -0.005734 0.009371 31O 2dyz -0.010599 0.015087 -0.020428 -0.017669 0.013593 -0.013567 31O 2dx2y2 0.014985 -0.011031 0.009585 -0.008044 0.010465 0.010965 31O 2dxy -0.020695 0.001705 0.013868 0.026647 0.004080 0.002159 31O 1f0 0.002203 -0.001723 0.000617 -0.001628 -0.000423 -0.001051 31O 1f+1 0.001226 -0.000137 -0.000733 0.000169 -0.001749 -0.000475 31O 1f-1 0.000154 0.000718 0.000044 -0.000378 0.000100 -0.000241 31O 1f+2 -0.000830 0.000968 -0.000228 0.002308 0.001192 -0.000381 31O 1f-2 -0.001606 -0.000073 0.001078 0.001628 -0.000028 -0.000191 31O 1f+3 -0.000133 0.001261 -0.001404 0.000789 0.001652 0.000630 31O 1f-3 -0.002275 0.002029 0.000256 0.002293 -0.000670 0.000530 32O 1s 0.001738 -0.000316 -0.000332 0.000047 0.006199 0.000332 32O 2s 0.004350 0.000321 -0.000932 0.000633 0.014144 0.000677 32O 3s -0.008628 -0.018765 0.004012 -0.009286 -0.005809 0.001216 32O 4s -0.063562 0.092535 0.025577 0.013934 -0.252075 -0.028906 32O 5s 0.392942 -0.161793 -0.256257 0.131021 0.807804 0.142627 32O 1pz -0.013100 0.059417 0.002562 -0.026723 -0.002085 -0.107433 32O 1px 0.024240 -0.027456 -0.044833 -0.003673 0.017258 -0.015588 32O 1py -0.042361 -0.019616 0.035939 -0.035624 -0.049254 -0.003392 32O 2pz -0.028705 0.128083 0.002610 -0.090815 -0.009987 -0.250156 32O 2px 0.070354 -0.033782 -0.099732 0.003361 0.044650 -0.035249 32O 2py -0.121996 -0.040825 0.086210 -0.074983 -0.117544 -0.013412 32O 3pz 0.105451 -0.483034 0.072399 0.509039 0.031759 1.197772 32O 3px -0.381442 -0.150372 0.391338 -0.089924 -0.210814 0.243233 32O 3py 0.558918 0.168514 -0.300724 0.280639 0.514189 0.048126 32O 1dz2 -0.001973 0.000541 0.000694 -0.000977 -0.001419 -0.003693 32O 1dxz -0.001081 -0.002471 0.001573 -0.001817 -0.001586 0.002642 32O 1dyz -0.000434 0.003125 -0.000800 -0.001999 -0.000221 -0.007318 32O 1dx2y2 0.002198 0.000821 -0.000780 0.000835 0.000840 0.001151 32O 1dxy 0.001361 0.001522 -0.002852 0.001175 0.002272 -0.002219 32O 2dz2 -0.005231 -0.015308 0.003582 0.009910 -0.007394 0.042242 32O 2dxz 0.005502 0.018948 -0.002906 -0.019297 -0.003366 -0.055687 32O 2dyz 0.008840 -0.006241 -0.007974 0.011352 0.013954 0.010654 32O 2dx2y2 0.001098 -0.007894 -0.005435 -0.009394 0.015043 -0.016378 32O 2dxy -0.031865 -0.001860 0.034151 -0.006003 -0.046551 -0.001022 32O 1f0 0.000693 0.000222 -0.000718 0.000563 0.001523 0.000162 32O 1f+1 -0.000302 -0.000710 0.000172 0.000169 -0.001150 0.001720 32O 1f-1 0.001289 -0.000658 -0.001122 0.001023 0.001871 0.001713 32O 1f+2 -0.000281 0.000522 0.000170 -0.000409 -0.000850 -0.001894 32O 1f-2 0.001133 0.000596 -0.001397 -0.000562 0.001994 -0.001551 32O 1f+3 -0.000507 -0.000138 0.000387 0.000310 -0.001506 0.000837 32O 1f-3 -0.000409 -0.000299 -0.000492 0.000298 -0.000172 0.000763 33O 1s -0.003549 -0.004571 -0.003487 0.001459 0.005834 0.000964 33O 2s -0.008442 -0.010490 -0.008110 0.004925 0.012210 0.001178 33O 3s 0.012024 0.007683 0.008939 -0.038339 0.008403 0.010810 33O 4s -0.002788 0.031312 0.091439 0.101148 -0.285487 -0.135893 33O 5s 0.595434 0.783327 -0.568325 0.315788 1.225173 0.834131 33O 1pz 0.024569 -0.050692 0.036650 0.065257 -0.023492 -0.059227 33O 1px 0.045662 0.013591 0.016586 0.026337 0.017408 -0.001581 33O 1py -0.044482 0.133047 -0.053683 0.005215 -0.045846 0.011527 33O 2pz 0.063779 -0.115354 0.069510 0.166951 0.112697 -0.062374 33O 2px 0.075665 -0.022653 0.062958 -0.000346 -0.040897 -0.125013 33O 2py -0.106287 0.361436 -0.115738 -0.024981 -0.119277 0.075774 33O 3pz -0.039277 0.462741 -0.581618 0.586661 -0.277297 0.624330 33O 3px -0.492499 -0.304528 0.284859 -0.730511 -0.375580 -0.061349 33O 3py 0.492582 -1.258313 0.069166 0.261228 0.342099 -0.254936 33O 1dz2 -0.000024 0.000568 0.002776 0.000566 -0.001359 -0.003723 33O 1dxz 0.002812 0.000810 -0.004271 0.008816 -0.000582 0.008543 33O 1dyz -0.002906 0.000892 0.000196 0.000658 -0.001984 -0.003197 33O 1dx2y2 -0.003896 -0.001087 0.002296 -0.005138 -0.001640 -0.001244 33O 1dxy 0.004106 -0.005715 -0.001926 -0.001688 0.001122 0.000594 33O 2dz2 0.009448 0.022084 -0.021432 -0.015588 -0.017094 0.022726 33O 2dxz 0.006987 -0.007838 -0.001228 -0.033817 -0.052602 -0.008259 33O 2dyz 0.009179 -0.015436 -0.013891 0.000886 -0.000966 -0.001982 33O 2dx2y2 0.011754 0.036187 -0.021919 0.015804 -0.007165 0.009579 33O 2dxy 0.002781 0.000857 -0.002220 -0.001521 -0.015771 -0.008512 33O 1f0 0.000493 -0.001640 -0.000886 -0.000244 -0.002608 -0.000601 33O 1f+1 0.001050 -0.000363 0.000419 -0.001517 -0.001783 -0.000977 33O 1f-1 0.000563 -0.000190 0.000211 0.000498 0.000975 -0.000034 33O 1f+2 -0.000280 0.002112 0.000349 0.002545 0.002964 0.000986 33O 1f-2 -0.000728 0.001139 0.001108 0.000160 0.000823 -0.000016 33O 1f+3 0.000555 0.001978 0.000348 0.001098 0.001889 0.000358 33O 1f-3 -0.000644 0.000494 -0.000256 0.000443 -0.000910 -0.000460 34O 1s 0.000195 -0.004205 0.001878 -0.005258 -0.008174 -0.000674 34O 2s 0.001703 -0.008728 0.003590 -0.013078 -0.016763 -0.001998 34O 3s -0.022991 -0.015190 0.009195 0.032963 -0.020683 0.004167 34O 4s 0.088787 0.190775 -0.156602 0.013136 0.419393 -0.039631 34O 5s 0.248221 -0.127341 0.894739 -0.029776 -1.403502 0.647929 34O 1pz 0.066601 0.020223 0.033825 -0.028588 -0.032985 -0.024289 34O 1px -0.016777 -0.007224 0.009663 -0.045690 -0.002122 -0.043998 34O 1py -0.019524 -0.043629 0.049409 -0.020092 -0.066737 0.000740 34O 2pz 0.155964 0.068461 0.076083 -0.053891 -0.099429 -0.101666 34O 2px -0.037431 0.023356 0.060613 -0.148901 -0.138161 0.007385 34O 2py -0.048710 -0.101988 0.152832 -0.100656 -0.118625 -0.078141 34O 3pz -0.456312 -0.398483 0.019326 -0.002544 0.430306 0.463165 34O 3px 0.822087 0.288918 0.389481 -0.399282 -0.215840 0.457316 34O 3py -0.005831 0.250251 -0.719897 0.912885 0.414123 0.448014 34O 1dz2 0.001995 0.000049 0.003955 -0.003337 -0.001365 0.004492 34O 1dxz 0.003481 0.004059 0.000167 -0.001073 0.001064 -0.004144 34O 1dyz -0.000464 0.001924 -0.002061 0.001520 -0.001907 0.001734 34O 1dx2y2 -0.005189 -0.001229 -0.003836 0.008330 0.004086 -0.003727 34O 1dxy -0.000411 -0.002386 0.006287 -0.005133 -0.006515 -0.000257 34O 2dz2 -0.022920 -0.016482 -0.049296 0.038509 0.007564 0.003080 34O 2dxz -0.010199 -0.013741 -0.005767 0.008391 -0.002056 0.011011 34O 2dyz -0.007421 0.027936 0.000525 -0.008759 -0.016031 -0.002997 34O 2dx2y2 0.012548 0.025925 -0.030203 0.009721 -0.012403 0.026174 34O 2dxy 0.001537 0.000645 -0.004803 0.005164 0.012031 -0.014898 34O 1f0 0.001045 0.001056 -0.000200 -0.000311 0.000973 -0.000408 34O 1f+1 0.000194 -0.001796 -0.000717 0.001289 0.000908 -0.001550 34O 1f-1 0.000593 -0.000293 0.000068 0.000091 -0.000216 0.000179 34O 1f+2 0.000699 -0.002017 -0.000494 -0.000055 -0.000062 0.000453 34O 1f-2 -0.000440 0.000880 -0.000567 0.000211 -0.000301 0.000410 34O 1f+3 0.001127 -0.003227 0.001360 -0.000715 0.000327 -0.002138 34O 1f-3 0.000746 -0.000370 0.000160 -0.001205 -0.002358 0.000084 35O 1s -0.000841 -0.007868 -0.004487 -0.001082 -0.003132 0.006773 35O 2s -0.001942 -0.017285 -0.009925 -0.002553 -0.006520 0.013983 35O 3s 0.002630 -0.002842 -0.000127 0.009080 -0.010325 0.018468 35O 4s 0.008384 0.238308 0.182340 -0.008415 0.108899 -0.369436 35O 5s -0.006388 -0.077290 -1.104767 -0.603597 0.331268 1.152192 35O 1pz 0.067306 0.053030 -0.026615 -0.022191 -0.029230 -0.049683 35O 1px 0.003459 -0.049931 0.006195 -0.032521 -0.022454 0.010266 35O 1py -0.068218 0.020271 0.072479 0.032582 0.003176 -0.002492 35O 2pz 0.185648 0.139794 -0.101803 -0.075967 -0.072780 -0.141443 35O 2px 0.030577 -0.111463 -0.063006 -0.121458 0.005998 0.084391 35O 2py -0.171365 0.050736 0.172412 0.087373 -0.027556 0.035157 35O 3pz -0.723873 -0.502976 0.246424 0.190529 0.221594 0.654434 35O 3px -0.214148 0.607329 -0.277330 -0.279132 0.049745 -0.028384 35O 3py 0.538833 -0.318435 -0.696681 -0.672809 0.479368 -0.095433 35O 1dz2 -0.002870 0.000266 -0.001856 -0.002021 0.000234 0.000944 35O 1dxz 0.001196 0.004543 0.000854 -0.001700 0.000453 -0.006845 35O 1dyz 0.000116 0.000022 0.000103 -0.002366 0.000366 -0.003911 35O 1dx2y2 0.001259 -0.003932 -0.001751 0.001391 0.002238 -0.000510 35O 1dxy -0.002841 0.003210 0.004656 0.004119 -0.003502 -0.001913 35O 2dz2 -0.009207 -0.044028 0.038667 0.043054 -0.005345 -0.001275 35O 2dxz -0.011905 -0.018454 0.003123 0.001517 0.009426 0.011552 35O 2dyz 0.004055 0.001972 -0.034484 -0.029562 0.012116 -0.001992 35O 2dx2y2 -0.007882 0.003537 0.014525 0.004259 0.006153 -0.000029 35O 2dxy -0.000658 -0.002079 -0.006045 -0.011553 0.018664 0.002367 35O 1f0 0.000715 0.001270 0.000976 -0.000593 0.001202 -0.001283 35O 1f+1 0.000589 -0.001778 -0.000092 0.001383 -0.001915 -0.001095 35O 1f-1 -0.000812 -0.000332 0.000552 0.000983 -0.000142 0.000834 35O 1f+2 0.000193 -0.001176 -0.000484 0.000197 -0.000920 0.000736 35O 1f-2 -0.000471 -0.000476 -0.001423 -0.000243 -0.000909 0.000874 35O 1f+3 0.001060 -0.001977 -0.001573 -0.000599 -0.000524 -0.000044 35O 1f-3 0.000145 -0.000097 0.000528 0.000977 -0.002394 -0.000497 234 235 236 237 238 239 0.71679 0.72926 0.74373 0.75152 0.75234 0.76772 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s -0.002256 0.000674 -0.000893 -0.000749 0.004459 -0.003426 0Rh 2s 0.004453 -0.002879 0.002281 0.002666 -0.010767 0.013083 0Rh 3s -0.010415 0.002157 -0.003802 -0.002724 0.019382 -0.011918 0Rh 4s -0.018299 0.013186 -0.009838 -0.012037 0.046346 -0.059455 0Rh 5s -0.022373 -0.013800 -0.002121 0.008616 0.014734 0.050109 0Rh 6s 0.194272 -0.015172 0.066925 0.030308 -0.312224 0.123184 0Rh 7s -0.953107 0.035891 -0.239345 -0.146096 1.900351 -0.636468 0Rh 8s -0.579574 0.239909 -1.418228 -0.149513 -0.786485 -1.339888 0Rh 1pz -0.000392 0.003788 -0.001950 0.000230 -0.002599 -0.005052 0Rh 1px 0.001520 -0.000521 0.014606 -0.002417 0.007802 0.011171 0Rh 1py 0.001210 0.001646 -0.000560 0.009445 0.005775 0.000062 0Rh 2pz 0.001424 -0.013114 0.005965 -0.000557 0.008960 0.017565 0Rh 2px -0.005026 0.001868 -0.050124 0.008290 -0.026914 -0.038509 0Rh 2py -0.004160 -0.006275 0.002101 -0.032583 -0.020074 -0.000160 0Rh 3pz -0.002503 0.011827 0.010183 -0.004285 -0.007335 -0.017414 0Rh 3px -0.000321 -0.003321 0.036090 -0.005604 0.022352 0.031970 0Rh 3py 0.003234 0.016984 -0.005019 0.026582 0.019419 -0.000704 0Rh 4pz 0.002039 0.018908 -0.069909 0.020338 -0.014920 -0.017065 0Rh 4px 0.028369 0.006476 0.109462 -0.021519 0.044224 0.059279 0Rh 4py 0.007754 -0.035304 0.008615 0.060586 0.024351 0.001907 0Rh 5pz -0.002483 0.003527 0.095520 -0.037180 -0.014595 -0.044360 0Rh 5px -0.056302 -0.038354 -0.054249 0.033040 0.033837 0.082249 0Rh 5py -0.001046 0.072793 -0.013548 -0.030711 0.020537 0.014710 0Rh 6pz -0.625909 0.292253 2.037776 -0.509064 1.001072 0.212058 0Rh 6px 0.607963 0.161767 0.371885 -0.415738 -2.137258 -1.503873 0Rh 6py 0.347080 1.504943 -0.551752 0.570234 -0.466408 -0.383404 0Rh 1dz2 -0.054845 0.016289 0.005624 -0.000386 0.005882 -0.017289 0Rh 1dxz -0.008575 0.000488 -0.011095 -0.001619 0.007659 -0.015022 0Rh 1dyz 0.027929 -0.001077 -0.005979 0.001718 0.005452 0.002148 0Rh 1dx2y2 -0.032098 0.003615 0.003452 0.009377 -0.020114 0.023500 0Rh 1dxy -0.003963 -0.006789 0.007688 -0.007195 -0.014237 0.001504 0Rh 2dz2 0.010204 -0.002318 -0.001271 -0.000272 0.000908 0.001906 0Rh 2dxz 0.001122 0.000682 0.001919 -0.000126 0.001406 0.000457 0Rh 2dyz -0.005326 0.003252 0.001471 -0.000215 -0.000093 -0.000673 0Rh 2dx2y2 0.006706 -0.001267 -0.000561 -0.000981 -0.000791 -0.000417 0Rh 2dxy 0.001273 0.001840 -0.001404 0.002479 0.001206 0.001075 0Rh 3dz2 0.066017 -0.022709 -0.005858 0.001910 -0.015652 0.026762 0Rh 3dxz 0.012477 -0.003933 0.013899 0.003851 -0.021318 0.028406 0Rh 3dyz -0.033056 -0.011457 0.005719 -0.002523 -0.010562 -0.001416 0Rh 3dx2y2 0.035439 -0.001803 -0.004494 -0.014630 0.043540 -0.045474 0Rh 3dxy 0.002525 0.005695 -0.009385 0.003880 0.023405 -0.007627 0Rh 4dz2 0.193805 -0.045913 -0.023751 -0.003582 0.009692 0.038341 0Rh 4dxz 0.023112 0.010626 0.039283 -0.002110 0.014951 0.014991 0Rh 4dyz -0.099940 0.046235 0.026431 -0.004533 -0.004883 -0.013214 0Rh 4dx2y2 0.123636 -0.022746 -0.010402 -0.021203 0.005371 -0.021287 0Rh 4dxy 0.021039 0.033542 -0.027219 0.042482 0.029311 0.016144 0Rh 5dz2 -0.367938 0.001471 0.057366 0.014659 -0.144792 0.028744 0Rh 5dxz -0.022207 -0.072991 -0.121681 0.049179 -0.180302 0.125264 0Rh 5dyz 0.169831 -0.289702 -0.084481 -0.007845 -0.073454 0.062244 0Rh 5dx2y2 -0.235727 0.080303 0.020546 -0.007147 0.211883 -0.188145 0Rh 5dxy -0.056291 -0.148618 0.063078 -0.151313 0.009082 -0.104847 0Rh 1f0 0.005045 0.007672 -0.007613 0.003290 -0.002538 0.006352 0Rh 1f+1 0.001952 -0.001813 0.009615 -0.003051 -0.000441 -0.004136 0Rh 1f-1 -0.003172 0.008751 0.003680 -0.001478 0.003653 -0.003780 0Rh 1f+2 0.000443 0.006341 0.009976 -0.005119 0.006258 -0.010793 0Rh 1f-2 0.002538 -0.013471 0.001829 -0.001536 0.001595 -0.004244 0Rh 1f+3 0.003584 0.006185 0.017629 -0.007116 0.005781 -0.012331 0Rh 1f-3 0.003919 0.013252 0.006654 0.002635 -0.003269 0.002955 1Rh 1s 0.002269 0.000723 -0.000627 -0.000521 -0.004479 -0.003406 1Rh 2s -0.004511 -0.002966 0.001677 0.002092 0.010707 0.013339 1Rh 3s 0.010455 0.002387 -0.002621 -0.001747 -0.019532 -0.011642 1Rh 4s 0.018570 0.013540 -0.007262 -0.009547 -0.046014 -0.060805 1Rh 5s 0.022072 -0.013264 -0.000782 0.009021 -0.016246 0.054708 1Rh 6s -0.194493 -0.019173 0.047581 0.015193 0.317047 0.110817 1Rh 7s 0.951710 0.052004 -0.125015 -0.048531 -1.918628 -0.633961 1Rh 8s 0.583599 0.249317 -1.456540 -0.203670 0.679698 -1.152959 1Rh 1pz -0.000508 -0.003933 0.002158 -0.000143 -0.002328 0.005430 1Rh 1px 0.001415 0.000393 -0.015119 0.001877 0.006846 -0.009582 1Rh 1py 0.001300 -0.001434 0.000313 -0.009826 0.005005 0.002549 1Rh 2pz 0.001838 0.013609 -0.006683 0.000260 0.008072 -0.018771 1Rh 2px -0.004660 -0.001422 0.051890 -0.006432 -0.023653 0.033114 1Rh 2py -0.004458 0.005546 -0.001242 0.033907 -0.017407 -0.008740 1Rh 3pz -0.003133 -0.012140 -0.009543 0.004480 -0.007583 0.016407 1Rh 3px -0.000661 0.002843 -0.037522 0.004157 0.020405 -0.029308 1Rh 3py 0.003242 -0.016439 0.004134 -0.027831 0.017045 0.005748 1Rh 4pz 0.002482 -0.020180 0.070936 -0.019669 -0.009386 0.027246 1Rh 4px 0.027822 -0.006787 -0.112537 0.018027 0.035374 -0.042458 1Rh 4py 0.009239 0.036834 -0.009420 -0.062312 0.020179 0.023347 1Rh 5pz -0.004729 -0.002540 -0.094311 0.036939 -0.022378 0.028278 1Rh 5px -0.055936 0.036929 0.052717 -0.033990 0.041381 -0.100075 1Rh 5py -0.002940 -0.073190 0.012145 0.029156 0.021635 -0.025483 1Rh 6pz -0.639383 -0.278060 -2.099753 0.518571 0.929294 -0.408385 1Rh 6px 0.602598 -0.116243 -0.243430 0.542665 -2.140500 1.578932 1Rh 6py 0.326451 -1.549994 0.564918 -0.503030 -0.527417 -0.802864 1Rh 1dz2 0.055640 0.015361 0.005116 0.000215 -0.005356 -0.008615 1Rh 1dxz 0.008832 0.000486 -0.010529 -0.000733 -0.008041 -0.020950 1Rh 1dyz -0.028287 -0.000573 -0.005139 0.001969 -0.005746 -0.003290 1Rh 1dx2y2 0.032518 0.002959 0.001732 0.008313 0.020419 0.030402 1Rh 1dxy 0.004039 -0.006840 0.006693 -0.008035 0.013987 -0.001219 1Rh 2dz2 -0.010347 -0.002093 -0.001031 -0.000264 -0.000993 0.000260 1Rh 2dxz -0.001164 0.000732 0.002020 -0.000154 -0.001290 0.001600 1Rh 2dyz 0.005427 0.003148 0.001361 -0.000224 0.000184 0.000865 1Rh 2dx2y2 -0.006809 -0.001258 -0.000566 -0.001047 0.000632 -0.001515 1Rh 2dxy -0.001295 0.001840 -0.001323 0.002521 -0.001144 0.002685 1Rh 3dz2 -0.066995 -0.021809 -0.005860 0.000674 0.014954 0.016248 1Rh 3dxz -0.012816 -0.004145 0.012337 0.002193 0.021581 0.035464 1Rh 3dyz 0.033345 -0.012021 0.004505 -0.002985 0.010769 0.002868 1Rh 3dx2y2 -0.035839 -0.000531 -0.001040 -0.012226 -0.043475 -0.054702 1Rh 3dxy -0.002584 0.005801 -0.007732 0.005381 -0.023163 -0.008933 1Rh 4dz2 -0.196549 -0.041861 -0.019743 -0.003930 -0.011289 0.008214 1Rh 4dxz -0.023845 0.011406 0.040344 -0.003149 -0.012753 0.036223 1Rh 4dyz 0.101674 0.044316 0.024181 -0.004905 0.006397 0.016303 1Rh 4dx2y2 -0.125494 -0.022099 -0.009079 -0.021298 -0.008029 -0.042044 1Rh 4dxy -0.021396 0.033510 -0.025266 0.043809 -0.028237 0.041522 1Rh 5dz2 0.372355 -0.008955 0.041181 0.008542 0.145334 0.059562 1Rh 5dxz 0.021892 -0.077265 -0.134506 0.043486 0.169634 0.085877 1Rh 5dyz -0.175021 -0.285434 -0.084164 -0.008389 0.068629 -0.099023 1Rh 5dx2y2 0.240479 0.085732 0.034770 0.006764 -0.198744 -0.178470 1Rh 5dxy 0.056569 -0.147505 0.064621 -0.147522 -0.011504 -0.240450 1Rh 1f0 0.005029 -0.007801 0.007624 -0.003155 -0.001723 -0.007076 1Rh 1f+1 0.001973 0.001792 -0.009646 0.003061 -0.001400 0.004385 1Rh 1f-1 -0.003306 -0.008799 -0.003887 0.001373 0.003399 0.001311 1Rh 1f+2 0.000335 -0.006483 -0.010369 0.004715 0.005066 0.011106 1Rh 1f-2 0.002563 0.013465 -0.001913 0.001576 0.001086 0.001653 1Rh 1f+3 0.003307 -0.006328 -0.018068 0.006860 0.004195 0.014016 1Rh 1f-3 0.003794 -0.013376 -0.006556 -0.002539 -0.004108 -0.001450 2C 1s 0.001933 -0.001334 -0.001169 -0.000423 -0.000922 0.000676 2C 2s 0.005158 -0.004697 -0.004745 -0.001487 -0.002799 -0.000736 2C 3s -0.002890 0.005662 0.079426 0.014790 0.014965 0.130964 2C 4s -0.004491 0.207495 -0.259922 -0.070582 -0.139549 -0.666853 2C 5s -1.916813 3.200357 0.378480 1.148124 1.649953 -0.047224 2C 1pz 0.008270 0.043032 0.026236 0.018196 0.001399 0.016498 2C 1px -0.012708 0.001788 0.006366 0.012325 0.012944 -0.001975 2C 1py -0.018631 0.029363 0.008647 -0.018074 0.004961 0.010559 2C 2pz 0.096040 0.221666 -0.069185 0.080116 -0.001908 -0.196285 2C 2px -0.089947 -0.137012 -0.109058 0.021620 0.071539 -0.137829 2C 2py -0.242364 0.118473 -0.065101 -0.143244 0.012368 -0.135076 2C 3pz 0.003044 1.220107 0.345633 -0.048273 0.420206 -0.011199 2C 3px -0.225005 -0.642421 -0.750672 -0.178475 -0.263634 -0.259949 2C 3py -0.792275 0.342956 0.275766 0.727728 0.072951 0.114484 2C 1dz2 -0.001189 0.001735 -0.002460 -0.004484 0.001583 -0.001214 2C 1dxz 0.002578 0.001814 0.000181 -0.004126 -0.002223 -0.001224 2C 1dyz -0.000373 0.004081 0.000754 0.003886 0.000565 -0.001983 2C 1dx2y2 0.002322 0.004296 0.000946 -0.004238 0.001308 0.000909 2C 1dxy -0.001797 0.001287 0.003144 -0.000240 -0.001694 -0.000361 2C 2dz2 0.032014 0.167242 0.062183 -0.243034 0.098897 -0.014488 2C 2dxz -0.129714 -0.062754 -0.135447 0.027773 -0.093959 0.137585 2C 2dyz -0.097188 -0.085385 -0.039336 0.125775 -0.032988 -0.031721 2C 2dx2y2 -0.177003 -0.205606 -0.170855 -0.140878 -0.057506 -0.076545 2C 2dxy 0.219316 -0.043114 -0.216284 -0.067934 -0.036891 0.024396 2C 1f0 -0.011236 0.000134 0.001987 -0.004659 0.000153 -0.005473 2C 1f+1 0.003363 -0.001182 -0.003432 0.001366 0.002576 0.000100 2C 1f-1 0.002141 0.006836 -0.001922 0.000323 -0.000444 -0.006059 2C 1f+2 0.003273 -0.004509 -0.000325 -0.000678 -0.001344 0.010513 2C 1f-2 -0.005808 -0.000648 -0.006795 -0.001509 0.000209 -0.004081 2C 1f+3 -0.007008 -0.003201 -0.000432 -0.002626 0.000582 0.005591 2C 1f-3 -0.000156 0.001429 0.003447 0.000589 0.001165 -0.002563 3C 1s 0.002168 0.001335 -0.000843 -0.000212 -0.000194 -0.000122 3C 2s 0.006544 0.004933 -0.003652 -0.000548 -0.000569 -0.002557 3C 3s -0.028078 -0.041381 0.073842 0.015720 0.017023 0.132355 3C 4s 0.039740 -0.010894 -0.279965 -0.174449 -0.242063 -0.664067 3C 5s -2.016216 -3.447569 -0.299902 0.759775 1.907470 1.073758 3C 1pz -0.010203 -0.023289 -0.003424 -0.027308 -0.010223 0.020752 3C 1px 0.006472 -0.012464 0.007471 -0.008539 0.018607 0.004600 3C 1py 0.025389 0.043460 -0.020076 -0.009223 0.009566 -0.017369 3C 2pz 0.019787 -0.164573 -0.106987 -0.192068 -0.077795 -0.045986 3C 2px 0.199210 0.024469 -0.166747 0.013855 0.152173 -0.091474 3C 2py 0.176532 0.085011 0.058330 -0.017337 0.065703 0.223683 3C 3pz -0.256981 -1.078028 0.452719 0.456567 0.223709 0.394000 3C 3px 0.573098 0.208604 -0.784459 0.592828 0.118820 0.051444 3C 3py 0.674178 0.832231 -0.126091 0.310665 -0.328565 -0.145184 3C 1dz2 -0.001120 0.003176 0.001300 0.004863 0.001193 -0.000128 3C 1dxz 0.004374 -0.000105 -0.000953 0.003794 -0.001609 -0.000723 3C 1dyz 0.002007 0.003637 -0.000223 -0.003084 -0.001817 0.001517 3C 1dx2y2 0.000151 -0.002256 0.003134 0.004284 -0.001953 0.001502 3C 1dxy 0.000514 0.002810 -0.002148 0.001221 0.002747 0.001035 3C 2dz2 0.057894 -0.159626 0.136502 0.215181 0.022191 0.062219 3C 2dxz -0.304176 -0.048069 0.083564 0.030237 -0.052325 0.035152 3C 2dyz -0.013888 0.022272 -0.040947 -0.051975 -0.052665 0.047161 3C 2dx2y2 -0.044740 0.231374 -0.093292 0.170235 -0.040406 -0.077007 3C 2dxy -0.094598 -0.141071 0.261218 -0.175755 0.040079 -0.032087 3C 1f0 -0.005954 0.001766 0.004228 0.003100 -0.000531 -0.000713 3C 1f+1 0.004138 -0.002418 0.002659 0.000110 0.001164 -0.002193 3C 1f-1 0.004998 0.002084 -0.005377 -0.001162 0.001093 -0.000492 3C 1f+2 0.002488 0.002062 0.000293 0.004400 0.005692 0.010792 3C 1f-2 -0.000122 -0.000375 0.005687 -0.001504 -0.002632 0.007490 3C 1f+3 -0.011344 0.002212 -0.002977 0.003271 -0.000113 -0.003100 3C 1f-3 -0.006788 0.004226 -0.004338 0.002861 -0.000211 0.001176 4C 1s 0.000986 0.013571 0.000221 0.005600 -0.001158 0.001121 4C 2s 0.003285 0.029228 0.001792 0.014448 -0.003217 0.008356 4C 3s -0.029120 -0.021765 -0.184852 -0.100327 0.007239 -0.412826 4C 4s -0.069297 -0.278847 1.648697 0.339420 0.228160 2.545013 4C 5s 0.842874 -0.350926 1.370798 -0.230377 -0.626740 2.079142 4C 1pz -0.026159 -0.068638 -0.070146 -0.028989 -0.010278 -0.056917 4C 1px 0.009111 0.043666 0.082993 -0.065691 0.092134 -0.031799 4C 1py -0.004391 -0.035344 -0.005986 0.007210 0.019127 -0.059320 4C 2pz 0.034347 -0.232648 -0.013158 0.056440 -0.120616 0.388886 4C 2px -0.172813 0.221238 0.433378 -0.229588 0.552265 -0.012865 4C 2py -0.099417 -0.077919 0.200246 0.025000 0.111613 0.216163 4C 3pz -1.127706 2.207394 0.334464 1.072329 0.333738 0.531345 4C 3px 0.165061 2.373606 2.189350 0.159268 0.498422 0.070591 4C 3py -0.172933 2.446089 0.973340 -0.052523 0.417880 0.070027 4C 1dz2 -0.002347 0.003761 -0.002102 0.013349 -0.005182 -0.004276 4C 1dxz -0.005697 0.014119 0.005607 0.004493 0.006070 -0.010526 4C 1dyz -0.004117 0.006835 -0.000186 -0.005323 0.002119 0.002348 4C 1dx2y2 -0.003344 -0.009896 0.014210 0.009602 0.000311 0.012133 4C 1dxy 0.004585 0.005627 0.011400 0.001339 0.007609 0.004219 4C 2dz2 0.202745 -0.130365 -0.004659 0.066076 -0.066893 0.033065 4C 2dxz -0.144384 -0.188366 -0.132267 0.042185 0.054272 -0.077713 4C 2dyz -0.059470 -0.127002 0.070353 -0.020961 -0.055580 0.220446 4C 2dx2y2 -0.157571 0.034820 0.077968 0.145208 0.005390 0.206985 4C 2dxy 0.165030 -0.005935 0.084275 -0.109638 0.129071 0.157113 4C 1f0 0.002307 -0.001114 -0.007024 0.003182 -0.000909 -0.014166 4C 1f+1 -0.001770 -0.000220 -0.013961 0.000177 -0.000145 -0.034957 4C 1f-1 0.001001 0.001690 -0.010192 0.001218 -0.003758 -0.012945 4C 1f+2 0.005833 0.000606 0.015800 0.008040 -0.004084 0.029356 4C 1f-2 -0.002001 -0.001454 -0.001433 -0.008793 0.006848 -0.005506 4C 1f+3 0.005179 0.001079 0.005573 0.003428 -0.003369 -0.001192 4C 1f-3 0.005149 0.001822 -0.016940 -0.008028 -0.006306 -0.026588 5C 1s -0.002506 -0.015965 -0.002534 0.000722 -0.000279 0.003848 5C 2s -0.005406 -0.037601 -0.004444 0.003251 -0.000080 0.016008 5C 3s 0.063721 0.185351 -0.166835 -0.053585 -0.003794 -0.474100 5C 4s -0.558358 -0.545345 1.632071 0.234580 -0.005410 2.816857 5C 5s 0.029172 -0.076454 1.419115 -0.548026 -1.110111 1.383701 5C 1pz 0.010012 0.077267 -0.034523 0.037272 -0.020409 -0.064284 5C 1px -0.024680 -0.075476 0.063339 -0.015152 0.075871 -0.019747 5C 1py -0.008320 -0.104579 0.039398 0.022035 0.012673 0.069610 5C 2pz -0.009020 0.148045 -0.008036 0.097835 -0.168926 0.270900 5C 2px -0.144871 -0.437434 0.449265 -0.059455 0.542993 0.050217 5C 2py 0.078988 -0.134294 -0.064370 -0.009930 0.113304 -0.396679 5C 3pz -0.752716 -1.192100 -0.565704 -0.064098 0.440093 0.516788 5C 3px -0.950595 -2.780391 2.378882 -1.281656 -0.166683 0.090514 5C 3py 1.077395 2.955224 0.060070 -0.591989 -0.513692 -1.154489 5C 1dz2 0.005868 0.007077 -0.014488 -0.009758 -0.001911 -0.008950 5C 1dxz -0.005816 -0.004900 -0.002209 -0.010547 0.001300 -0.011565 5C 1dyz 0.003515 -0.000261 0.002622 0.003562 0.002646 -0.006939 5C 1dx2y2 0.000213 0.006031 0.013271 -0.008893 0.002682 0.014008 5C 1dxy -0.001976 0.013786 -0.006921 0.006384 -0.006262 0.003998 5C 2dz2 0.199127 0.044692 -0.093346 -0.072973 -0.045606 -0.121456 5C 2dxz -0.141633 0.035260 -0.053005 -0.083016 0.102859 -0.137450 5C 2dyz -0.038765 -0.002139 -0.122187 0.065443 0.057378 -0.256164 5C 2dx2y2 -0.145766 -0.190526 0.019943 -0.081655 0.064237 0.086017 5C 2dxy -0.194052 -0.136333 0.054232 -0.164182 -0.181451 -0.035930 5C 1f0 0.003113 0.004839 -0.003338 -0.000111 0.006552 -0.007323 5C 1f+1 0.005442 0.008102 -0.012770 -0.010346 -0.007973 -0.019478 5C 1f-1 -0.002211 -0.002640 0.002758 0.003491 0.003578 0.001925 5C 1f+2 -0.001329 -0.006449 0.008518 0.003399 -0.001571 0.011046 5C 1f-2 -0.005498 -0.003797 0.014446 -0.000434 -0.012490 0.031343 5C 1f+3 0.008388 0.008784 -0.012082 -0.000531 -0.003818 -0.028414 5C 1f-3 -0.003752 -0.010857 0.013980 -0.004043 0.001226 0.034536 6C 1s 0.002302 -0.016468 -0.002584 0.000701 0.000060 -0.004866 6C 2s 0.004914 -0.038792 -0.004505 0.003239 -0.000387 -0.005454 6C 3s -0.061683 0.190857 -0.166785 -0.053376 -0.005658 -0.363732 6C 4s 0.557193 -0.566469 1.624320 0.230807 0.115001 2.380832 6C 5s -0.030727 -0.061957 1.379556 -0.616659 1.139838 2.036955 6C 1pz 0.009719 -0.078156 0.036236 -0.034803 -0.022874 0.019058 6C 1px -0.023851 0.073109 -0.068775 0.010485 0.074721 0.029864 6C 1py -0.007014 0.106789 -0.040439 -0.022541 0.009760 -0.031065 6C 2pz -0.009692 -0.143368 0.020595 -0.086775 -0.177415 -0.262456 6C 2px -0.140253 0.424686 -0.482397 0.030805 0.534995 -0.038280 6C 2py 0.080400 0.129720 0.054902 0.002229 0.118291 0.425320 6C 3pz -0.750631 1.260447 0.552745 0.070901 0.470322 -0.075968 6C 3px -0.940149 2.836210 -2.346846 1.279428 -0.178524 1.150122 6C 3py 1.038673 -3.076871 -0.073303 0.628588 -0.441360 -0.705033 6C 1dz2 -0.005731 0.007254 -0.014414 -0.010175 0.000610 -0.000252 6C 1dxz 0.005965 -0.004972 -0.002169 -0.010519 -0.002069 -0.009145 6C 1dyz -0.003615 0.000052 0.002841 0.003924 -0.002607 -0.006899 6C 1dx2y2 0.000042 0.006299 0.013615 -0.008838 -0.002715 0.016073 6C 1dxy 0.002117 0.013613 -0.007361 0.005978 0.006493 0.008794 6C 2dz2 -0.200830 0.047507 -0.091234 -0.078024 0.031637 -0.155151 6C 2dxz 0.141243 0.037854 -0.048885 -0.079740 -0.115463 -0.026798 6C 2dyz 0.038708 -0.005374 -0.120757 0.069825 -0.055235 -0.297087 6C 2dx2y2 0.142310 -0.193113 0.022098 -0.084189 -0.065624 0.103654 6C 2dxy 0.194179 -0.144643 0.038707 -0.174016 0.175310 -0.081270 6C 1f0 0.003038 -0.005055 0.002842 -0.000197 0.006669 0.004243 6C 1f+1 0.005370 -0.008201 0.013155 0.010763 -0.006708 0.017107 6C 1f-1 -0.002225 0.002600 -0.002919 -0.003879 0.003300 -0.000843 6C 1f+2 -0.001258 0.006429 -0.008449 -0.003375 -0.002161 -0.005917 6C 1f-2 -0.005618 0.004354 -0.013614 0.000971 -0.013459 -0.023293 6C 1f+3 0.008239 -0.009017 0.012168 0.000528 -0.003045 0.029023 6C 1f-3 -0.003668 0.010885 -0.014159 0.004164 0.000710 -0.032049 7C 1s -0.000922 0.013687 0.000356 0.004984 0.001209 0.010317 7C 2s -0.003177 0.029536 0.002122 0.012930 0.003342 0.029952 7C 3s 0.029528 -0.023858 -0.187435 -0.093133 -0.016738 -0.500389 7C 4s 0.069569 -0.274225 1.665427 0.318605 -0.120159 2.889189 7C 5s -0.826940 -0.323080 1.369149 -0.187524 0.716280 1.711895 7C 1pz -0.024786 0.070357 0.072268 0.026785 -0.003569 0.102210 7C 1px 0.006143 -0.045282 -0.089099 0.060347 0.086826 0.024040 7C 1py -0.004332 0.035280 0.005534 -0.009855 0.016704 0.067305 7C 2pz 0.038065 0.236136 0.020578 -0.050954 -0.114181 -0.429054 7C 2px -0.179934 -0.228297 -0.462718 0.201831 0.526509 0.017894 7C 2py -0.100179 0.078631 -0.204810 -0.030495 0.098690 -0.246499 7C 3pz -1.123990 -2.180663 -0.357468 -0.945969 0.268194 -2.109358 7C 3px 0.098964 -2.363590 -2.203541 -0.122392 0.302385 -1.150913 7C 3py -0.206092 -2.477981 -1.010048 0.135655 0.378971 -1.864921 7C 1dz2 0.002423 0.003383 -0.002416 0.012969 0.005655 -0.006635 7C 1dxz 0.006040 0.013985 0.005824 0.004757 -0.005260 -0.009206 7C 1dyz 0.004109 0.006935 -0.000066 -0.005491 -0.002435 0.010956 7C 1dx2y2 0.003422 -0.010065 0.014178 0.009509 0.001095 0.009056 7C 1dxy -0.004410 0.005762 0.011916 0.001499 -0.006663 0.006264 7C 2dz2 -0.205932 -0.129509 -0.007666 0.065135 0.074275 -0.087273 7C 2dxz 0.138779 -0.190014 -0.129746 0.050238 -0.058394 -0.239191 7C 2dyz 0.059417 -0.127406 0.067243 -0.017691 0.054580 0.128451 7C 2dx2y2 0.154502 0.031069 0.077574 0.145047 0.007853 0.219366 7C 2dxy -0.164909 -0.001889 0.092208 -0.103825 -0.130101 0.114307 7C 1f0 0.002330 0.001239 0.007062 -0.003274 -0.000686 0.020322 7C 1f+1 -0.001717 0.000369 0.014051 -0.000487 0.000267 0.040470 7C 1f-1 0.000991 -0.001528 0.010428 -0.001227 -0.003211 0.013469 7C 1f+2 0.005797 -0.000610 -0.015743 -0.007487 -0.005279 -0.033885 7C 1f-2 -0.001901 0.001314 0.001109 0.008308 0.007284 0.007544 7C 1f+3 0.004965 -0.001114 -0.005448 -0.003116 -0.003849 -0.002985 7C 1f-3 0.005050 -0.001809 0.017412 0.008234 -0.005172 0.023684 8C 1s -0.002159 0.001443 -0.000781 -0.000184 0.000029 0.001486 8C 2s -0.006521 0.005209 -0.003489 -0.000483 -0.000002 0.002158 8C 3s 0.028204 -0.041200 0.074553 0.016588 -0.011193 0.110252 8C 4s -0.042163 -0.024377 -0.294060 -0.189055 0.215409 -0.668489 8C 5s 1.986509 -3.567523 -0.265529 0.857546 -1.824175 -1.238461 8C 1pz -0.009957 0.024392 0.004151 0.028375 -0.008879 0.000056 8C 1px 0.006447 0.011334 -0.009187 0.007705 0.019302 -0.000685 8C 1py 0.025260 -0.045435 0.018863 0.009194 0.011845 -0.009891 8C 2pz 0.027741 0.169157 0.112135 0.201077 -0.060570 0.101672 8C 2px 0.200320 -0.034156 0.153162 -0.019287 0.163693 0.060968 8C 2py 0.179294 -0.097727 -0.067124 0.016070 0.065113 -0.292300 8C 3pz -0.229762 1.099342 -0.446894 -0.486693 0.153443 0.407788 8C 3px 0.579353 -0.213452 0.777105 -0.595582 0.116741 0.000021 8C 3py 0.680373 -0.874680 0.132279 -0.302848 -0.333364 -0.266071 8C 1dz2 0.001171 0.003199 0.001302 0.005035 -0.000717 -0.001057 8C 1dxz -0.004445 -0.000118 -0.001051 0.003805 0.001772 -0.002157 8C 1dyz -0.001964 0.003770 -0.000268 -0.003266 0.001509 0.004360 8C 1dx2y2 -0.000175 -0.002269 0.002989 0.004305 0.002383 -0.000970 8C 1dxy -0.000527 0.002898 -0.001948 0.001378 -0.002763 0.001946 8C 2dz2 -0.059557 -0.160970 0.138199 0.224554 -0.002838 -0.143430 8C 2dxz 0.306863 -0.059292 0.073399 0.029576 0.062997 -0.017130 8C 2dyz 0.012894 0.019943 -0.042992 -0.059378 0.053567 0.065291 8C 2dx2y2 0.046986 0.230463 -0.098464 0.171864 0.048329 -0.011860 8C 2dxy 0.097041 -0.137992 0.263454 -0.171827 -0.041846 -0.057545 8C 1f0 -0.006043 -0.001654 -0.004161 -0.003207 -0.000893 -0.000060 8C 1f+1 0.004200 0.002202 -0.002848 -0.000117 0.001313 0.002427 8C 1f-1 0.005087 -0.002197 0.005253 0.001207 0.001203 0.000151 8C 1f+2 0.002553 -0.002265 -0.000694 -0.004647 0.005606 -0.013559 8C 1f-2 -0.000192 0.000356 -0.005569 0.001510 -0.002612 -0.007334 8C 1f+3 -0.011376 -0.001717 0.003189 -0.003379 -0.000341 0.002382 8C 1f-3 -0.006826 -0.003917 0.004434 -0.002835 -0.000476 -0.003044 9C 1s -0.001930 -0.001314 -0.001190 -0.000314 0.000790 -0.001885 9C 2s -0.005165 -0.004642 -0.004803 -0.001175 0.002316 -0.007668 9C 3s 0.002819 0.006196 0.080016 0.013642 -0.009635 0.131797 9C 4s 0.008109 0.207563 -0.262848 -0.076402 0.126589 -0.423825 9C 5s 1.921145 3.158627 0.431039 1.007156 -1.604361 2.168960 9C 1pz 0.007559 -0.043225 -0.026774 -0.016375 -0.001855 -0.042844 9C 1px -0.012004 -0.001777 -0.006842 -0.012712 0.012050 0.016390 9C 1py -0.018805 -0.029581 -0.008830 0.019134 0.005205 -0.041186 9C 2pz 0.093981 -0.222563 0.065929 -0.074598 -0.004758 0.073671 9C 2px -0.077444 0.136213 0.106680 -0.028439 0.079157 0.268239 9C 2py -0.245712 -0.114933 0.068257 0.146456 0.025936 -0.066841 9C 3pz -0.008252 -1.230485 -0.371411 0.089284 0.404508 -0.817293 9C 3px -0.182697 0.638685 0.768933 0.189270 -0.182024 0.376359 9C 3py -0.793341 -0.312833 -0.263610 -0.692116 0.014573 -0.271769 9C 1dz2 0.001217 0.001827 -0.002326 -0.004468 -0.002136 0.001045 9C 1dxz -0.002544 0.001843 0.000007 -0.004250 0.002038 0.000975 9C 1dyz 0.000396 0.004039 0.000779 0.003744 -0.000222 -0.001094 9C 1dx2y2 -0.002215 0.004408 0.001025 -0.004212 -0.001479 0.003142 9C 1dxy 0.001836 0.001281 0.003065 -0.000402 0.001846 0.000773 9C 2dz2 -0.028811 0.172420 0.066351 -0.242043 -0.104980 0.174838 9C 2dxz 0.127394 -0.063986 -0.138425 0.020846 0.080854 0.198398 9C 2dyz 0.095670 -0.088738 -0.042276 0.124772 0.033833 -0.135043 9C 2dx2y2 0.174270 -0.206335 -0.175197 -0.137374 0.034637 -0.090460 9C 2dxy -0.218203 -0.043212 -0.219347 -0.069338 0.015569 -0.013275 9C 1f0 -0.011179 0.000081 -0.001686 0.004768 0.000091 0.000956 9C 1f+1 0.003342 0.001173 0.003128 -0.001413 0.002754 0.003493 9C 1f-1 0.002020 -0.006729 0.001938 -0.000144 -0.000464 0.001162 9C 1f+2 0.003398 0.004581 0.000202 0.000596 -0.001159 -0.008506 9C 1f-2 -0.005699 0.000813 0.006767 0.001493 0.000616 0.000455 9C 1f+3 -0.007014 0.003253 0.000579 0.002569 0.000812 -0.006616 9C 1f-3 -0.000321 -0.001431 -0.003495 -0.000515 0.001044 0.003904 10H 1s 0.005159 0.023532 0.017619 -0.001141 0.004316 0.001247 10H 2s 0.259742 0.307060 0.158842 0.018858 -0.078215 0.313245 10H 3s 0.259192 0.239946 0.345984 0.045878 -0.014678 0.141246 10H 1pz 0.013163 -0.010406 -0.013234 0.007096 -0.015791 0.013532 10H 1px -0.011182 -0.022074 -0.011381 -0.004951 -0.006610 -0.027184 10H 1py -0.012427 -0.013563 -0.013445 -0.007920 -0.008784 0.007267 11H 1s 0.012620 0.006392 -0.001812 -0.008547 -0.008347 0.001692 11H 2s 0.415086 -0.032819 -0.041385 0.007770 -0.044478 -0.028621 11H 3s 0.351793 -0.172179 -0.162852 -0.409101 -0.227575 -0.172031 11H 1pz 0.013871 -0.011830 -0.002721 0.019001 0.006792 0.003695 11H 1px 0.012478 -0.005085 0.006801 -0.000686 0.003183 -0.005876 11H 1py -0.025910 -0.001445 0.013983 0.009793 0.000147 -0.000208 12H 1s -0.002671 0.002242 0.003706 0.006534 -0.011426 0.004372 12H 2s -0.384900 -0.117669 0.062075 -0.102872 -0.109185 0.026363 12H 3s -0.152697 -0.326531 0.081573 0.160685 -0.313693 -0.049773 12H 1pz 0.026250 0.005093 -0.005771 -0.017649 0.014223 -0.003038 12H 1px -0.013096 -0.014454 -0.000099 -0.005974 0.004159 -0.002749 12H 1py -0.032505 -0.009519 0.006913 -0.018075 0.004276 0.001377 13H 1s -0.012812 -0.022525 0.015859 -0.009417 -0.003301 0.001183 13H 2s -0.324844 -0.226437 0.135745 -0.138649 -0.208017 0.201030 13H 3s -0.121231 -0.139993 0.426987 -0.135068 -0.130128 0.033445 13H 1pz -0.003814 0.002485 -0.011449 -0.004124 -0.005067 0.014432 13H 1px 0.035581 0.018679 -0.017486 0.002621 0.000386 -0.015536 13H 1py 0.003754 -0.021827 0.008597 -0.004859 0.015941 0.001939 14H 1s 0.011115 -0.004236 -0.001538 0.004050 -0.013973 0.002399 14H 2s 0.553849 -0.115283 -0.088069 -0.048175 0.012068 0.114698 14H 3s 0.466601 0.090404 -0.012523 0.241422 -0.234848 -0.064854 14H 1pz 0.013670 -0.011445 0.000664 -0.012998 0.006062 0.006770 14H 1px 0.041242 -0.005222 -0.008429 0.000838 0.015271 0.009217 14H 1py 0.019003 -0.006429 -0.001108 0.014622 -0.011429 0.005412 15H 1s 0.000047 0.001920 -0.000512 -0.011122 -0.010484 -0.001079 15H 2s -0.079059 0.134511 0.087660 0.024326 -0.055992 -0.087394 15H 3s 0.135010 0.387572 -0.095722 -0.385575 -0.251264 -0.236402 15H 1pz 0.010333 -0.011950 -0.001783 0.009308 0.000760 0.006027 15H 1px 0.013626 -0.007932 0.014496 0.001916 0.001948 0.000020 15H 1py 0.012738 -0.011980 -0.007982 -0.023657 -0.010205 -0.003137 16H 1s -0.002914 -0.011791 -0.001460 -0.010070 0.027998 -0.020460 16H 2s -0.061684 0.026839 -0.019987 -0.121250 0.429684 -0.599528 16H 3s 0.018744 -0.066618 0.090299 0.038991 0.098199 0.043240 16H 1pz -0.008108 0.002268 0.001036 0.001005 -0.002777 -0.010088 16H 1px -0.002679 -0.011625 0.000806 -0.010206 -0.000084 -0.010696 16H 1py 0.001143 0.010077 -0.001411 -0.005464 0.039834 -0.045092 17H 1s -0.009196 0.014782 0.001199 -0.004769 0.028721 -0.014263 17H 2s 0.032196 0.167039 0.097851 -0.139496 0.435011 -0.553321 17H 3s 0.239843 0.038174 0.090605 0.062741 0.035572 0.185469 17H 1pz -0.003074 -0.007949 0.008179 -0.000960 0.007129 -0.003895 17H 1px -0.016438 0.012201 -0.011506 0.002811 0.003786 0.001696 17H 1py -0.003200 0.014396 0.005959 -0.005946 0.040034 -0.047353 18H 1s 0.009332 0.014878 0.002731 -0.003070 -0.028560 -0.015540 18H 2s -0.030525 0.169753 0.125638 -0.115970 -0.418067 -0.591347 18H 3s -0.245389 0.028118 0.089111 0.063604 -0.020418 0.117986 18H 1pz -0.003089 0.007837 -0.008090 0.000583 0.005801 0.001407 18H 1px -0.016318 -0.011782 0.011960 -0.003205 0.003947 -0.001521 18H 1py -0.003511 -0.014726 -0.008367 0.003914 0.038398 0.045007 19H 1s 0.003006 -0.010988 0.000340 -0.008421 -0.028121 -0.026699 19H 2s 0.061802 0.033411 0.007394 -0.094178 -0.417270 -0.626005 19H 3s -0.017657 -0.070069 0.088171 0.049969 -0.094449 0.059779 19H 1pz -0.007901 -0.001505 -0.000544 -0.000811 -0.004405 0.005482 19H 1px -0.003053 0.011231 -0.000429 0.010153 0.000272 0.017303 19H 1py 0.001046 -0.011423 -0.001396 0.003038 0.038773 0.044349 20H 1s 0.000259 0.001628 -0.000952 -0.011910 0.009891 0.002969 20H 2s 0.090580 0.131134 0.086368 0.025465 0.052327 0.031862 20H 3s -0.123640 0.386266 -0.101444 -0.405353 0.215139 0.035295 20H 1pz 0.011403 0.011804 0.001708 -0.009464 -0.000027 0.005508 20H 1px 0.013525 0.007118 -0.014728 -0.002328 0.002068 0.005168 20H 1py 0.013382 0.011889 0.008359 0.024962 -0.008838 0.002263 21H 1s -0.011365 -0.004588 -0.002202 0.003633 0.014246 -0.004740 21H 2s -0.562620 -0.098649 -0.076481 -0.050694 -0.030941 0.076408 21H 3s -0.474748 0.096857 -0.019773 0.234038 0.248460 -0.038766 21H 1pz 0.014502 0.010506 -0.001159 0.013156 0.007598 -0.011232 21H 1px 0.041667 0.003487 0.006787 -0.001265 0.016446 -0.010033 21H 1py 0.019569 0.006439 0.001770 -0.014388 -0.012227 0.007680 22H 1s 0.012696 -0.022931 0.015732 -0.009462 0.003546 -0.007049 22H 2s 0.321465 -0.246437 0.118985 -0.147673 0.211909 0.102223 22H 3s 0.119720 -0.143894 0.421300 -0.139715 0.146890 0.006783 22H 1pz -0.003124 -0.002074 0.011922 0.004764 -0.004659 -0.019531 22H 1px 0.035499 -0.020070 0.016800 -0.002381 0.001571 0.005027 22H 1py 0.004321 0.021362 -0.009789 0.004047 0.015775 0.006975 23H 1s 0.002691 0.001976 0.003237 0.005891 0.012058 0.004815 23H 2s 0.381263 -0.122627 0.049839 -0.105426 0.105641 0.056382 23H 3s 0.148746 -0.331231 0.065496 0.159594 0.332262 -0.220929 23H 1pz 0.026132 -0.006175 0.004557 0.016621 0.015099 0.002116 23H 1px -0.011800 0.014110 0.000025 0.005538 0.004374 0.008519 23H 1py -0.032699 0.010058 -0.006241 0.017739 0.005274 -0.009075 24H 1s -0.012799 0.006959 -0.002027 -0.008972 0.008140 0.009126 24H 2s -0.422066 -0.019776 -0.035474 0.010581 0.041462 -0.228143 24H 3s -0.357158 -0.157738 -0.166683 -0.406146 0.196977 -0.119467 24H 1pz 0.014185 0.011593 0.001928 -0.019713 0.006154 0.022459 24H 1px 0.013379 0.004754 -0.006581 0.000352 0.003100 0.016280 24H 1py -0.026327 0.002465 -0.013504 -0.009839 -0.001248 -0.002034 25H 1s -0.004346 0.023937 0.018201 -0.001398 -0.002594 0.010456 25H 2s -0.243333 0.311057 0.164859 0.011779 0.094572 0.506870 25H 3s -0.244887 0.244870 0.351827 0.045624 0.050836 0.133798 25H 1pz 0.013451 0.010500 0.013898 -0.006811 -0.014641 -0.009204 25H 1px -0.009739 0.022075 0.012244 0.004619 -0.005431 0.039058 25H 1py -0.012282 0.014031 0.014177 0.008010 -0.007104 -0.008429 26O 1s 0.003177 0.000956 0.000232 -0.001596 0.009524 -0.009985 26O 2s 0.006795 0.003707 0.000918 -0.003633 0.021869 -0.022480 26O 3s 0.003364 -0.030522 -0.005363 0.001131 -0.009923 0.015200 26O 4s -0.135162 0.180626 0.180417 0.048499 -0.209982 0.374897 26O 5s 0.496591 -1.899954 -2.232833 -0.137307 -0.619281 -2.065738 26O 1pz 0.013767 -0.055351 -0.043996 -0.040772 -0.005674 0.018220 26O 1px 0.018563 0.003042 -0.043033 -0.034969 -0.032553 0.001374 26O 1py -0.014885 -0.068380 0.023262 0.026026 -0.019697 -0.015220 26O 2pz 0.018578 -0.131419 -0.145788 -0.052227 0.026131 0.077963 26O 2px 0.010666 0.028356 -0.022016 -0.047749 -0.053369 0.149602 26O 2py -0.106954 -0.146556 0.053231 0.045585 -0.032735 0.041897 26O 3pz 0.176500 0.736564 0.888513 -0.068309 0.020026 -0.327330 26O 3px -0.298954 0.480138 1.471831 -0.009562 1.077119 0.965474 26O 3py 0.035903 0.609765 0.727641 -0.006669 0.445779 0.406742 26O 1dz2 0.004033 -0.003087 -0.004814 0.000197 -0.004655 -0.001126 26O 1dxz 0.003060 0.005056 0.005431 -0.002174 0.000981 -0.002554 26O 1dyz -0.001369 -0.000255 0.000877 -0.000651 0.000186 0.000298 26O 1dx2y2 0.002906 -0.001043 0.008284 -0.004406 0.007195 0.003323 26O 1dxy -0.004668 0.000945 0.006395 0.000750 0.005030 0.003001 26O 2dz2 0.025660 -0.002853 -0.010108 0.029006 0.024881 0.046817 26O 2dxz 0.016325 -0.016211 -0.012909 -0.007169 -0.006987 -0.030254 26O 2dyz -0.027001 -0.035013 -0.026037 -0.010955 -0.002222 0.004645 26O 2dx2y2 0.027775 -0.003487 -0.037542 -0.000855 -0.009878 -0.036818 26O 2dxy 0.015838 -0.019062 -0.048184 0.006259 -0.020215 -0.052589 26O 1f0 -0.000528 -0.001031 -0.000538 -0.000056 0.000235 -0.000109 26O 1f+1 -0.000729 0.000284 -0.002499 -0.001832 0.000381 -0.005787 26O 1f-1 0.000465 0.002266 0.000817 -0.000552 0.000921 -0.001239 26O 1f+2 -0.000492 -0.000116 -0.001141 -0.000706 -0.000555 0.000445 26O 1f-2 0.000138 0.001657 0.001080 0.000539 0.000150 -0.000600 26O 1f+3 -0.001485 0.000198 -0.002273 0.001093 -0.000552 -0.003210 26O 1f-3 0.001487 -0.000736 -0.002026 -0.000962 0.000265 -0.006407 27O 1s 0.001834 0.000689 0.000953 -0.004514 0.008445 -0.003444 27O 2s 0.002683 0.000026 0.002311 -0.010561 0.018912 -0.008543 27O 3s 0.023112 0.024797 -0.002829 0.011665 0.002235 0.024581 27O 4s -0.226595 -0.268000 0.143009 0.073616 -0.266958 0.129477 27O 5s 1.404985 2.676907 -1.987598 0.286943 -0.047385 -1.664026 27O 1pz 0.017321 0.008370 0.002486 0.074300 0.025764 -0.001486 27O 1px 0.021537 0.000524 -0.030322 0.022349 -0.023495 -0.020206 27O 1py -0.001424 -0.071978 0.028301 0.007262 0.003336 -0.008844 27O 2pz 0.065451 0.025172 -0.045572 0.152009 0.085790 0.008050 27O 2px -0.015928 -0.069432 -0.010707 0.063089 -0.028152 0.080369 27O 2py 0.063231 -0.146169 0.110644 -0.029920 -0.044949 -0.060998 27O 3pz 0.079601 -0.034226 0.277192 -0.361781 -0.444990 -0.198233 27O 3px -0.558663 -1.124895 1.495321 -0.217491 0.902135 1.261421 27O 3py 0.014308 0.751540 -1.066334 0.547178 0.163185 0.119721 27O 1dz2 0.003862 0.002555 -0.005538 0.000098 -0.003374 -0.002938 27O 1dxz 0.004555 0.001279 0.000278 0.000714 -0.003572 -0.001316 27O 1dyz -0.002475 -0.002302 0.000808 -0.001844 -0.000902 -0.001955 27O 1dx2y2 -0.000042 -0.003205 0.008682 -0.000083 0.006778 0.004978 27O 1dxy 0.005148 0.004972 -0.006582 0.004756 0.000511 0.001108 27O 2dz2 0.027591 -0.051660 0.019675 -0.012599 0.010032 0.054121 27O 2dxz 0.009980 0.007477 0.006866 0.005056 -0.003481 0.000135 27O 2dyz -0.020308 -0.017284 0.032491 -0.006858 -0.020334 -0.009559 27O 2dx2y2 0.038577 0.015678 -0.030203 -0.018421 -0.027650 -0.062076 27O 2dxy -0.016175 -0.041435 0.032708 0.003475 0.011933 0.041291 27O 1f0 -0.000522 0.000117 -0.000311 0.000202 0.000465 0.001698 27O 1f+1 -0.000487 0.002161 -0.001882 0.000682 -0.000304 -0.005056 27O 1f-1 0.000242 0.000107 -0.000082 -0.000445 -0.000056 -0.000025 27O 1f+2 0.001439 0.002791 -0.002185 0.000871 -0.000556 -0.002654 27O 1f-2 0.000185 0.000822 -0.001287 0.000024 0.000117 0.000835 27O 1f+3 -0.000053 0.001648 -0.002365 -0.002567 -0.000809 -0.006829 27O 1f-3 -0.002577 -0.001860 0.001409 -0.000317 -0.000614 0.001533 28O 1s -0.001362 -0.002912 -0.002502 -0.002125 -0.009277 -0.005787 28O 2s -0.003052 -0.005968 -0.006243 -0.004760 -0.021279 -0.012843 28O 3s 0.002584 -0.006096 0.017222 0.002976 0.008386 0.008800 28O 4s 0.034885 0.058481 -0.000436 0.098139 0.234579 0.295809 28O 5s -0.042288 -0.282803 -0.201564 -0.718309 0.322171 -2.244566 28O 1pz -0.016222 -0.051369 -0.040603 -0.033434 0.011966 -0.007951 28O 1px -0.000741 0.022944 0.076097 -0.033253 -0.010400 0.000082 28O 1py 0.011018 -0.014445 0.021148 0.067650 -0.009703 -0.018277 28O 2pz -0.003499 -0.016078 0.026953 -0.044682 -0.006513 0.091194 28O 2px -0.037059 0.043916 0.120827 -0.090879 -0.027823 -0.107893 28O 2py 0.080450 0.040663 0.093961 0.131605 -0.045516 -0.025886 28O 3pz -0.134827 -0.393966 -0.124096 0.377368 -0.396928 0.650784 28O 3px -0.111113 -0.176003 -0.754276 -0.221978 0.639760 -1.077033 28O 3py -0.161109 -0.377084 -0.509110 -0.231423 0.169425 0.196613 28O 1dz2 -0.006421 -0.002436 -0.003831 0.002316 0.000236 -0.000304 28O 1dxz 0.000411 0.003596 -0.000854 -0.001417 0.004540 -0.004720 28O 1dyz 0.004298 -0.002602 -0.000302 -0.001545 0.001409 0.001120 28O 1dx2y2 0.000374 -0.001614 0.001962 0.002349 -0.004100 0.005058 28O 1dxy -0.003044 0.000909 0.001654 0.001307 -0.001654 0.000677 28O 2dz2 -0.016151 -0.017479 0.002692 -0.014081 0.003997 -0.015579 28O 2dxz 0.003966 0.008960 0.049013 0.019207 -0.021710 0.076514 28O 2dyz 0.023796 0.005820 0.009286 -0.006450 -0.008474 -0.005618 28O 2dx2y2 -0.026113 -0.019640 -0.015510 -0.010892 0.007534 -0.033944 28O 2dxy 0.013337 0.017089 0.003521 -0.003175 -0.010629 0.022577 28O 1f0 -0.000413 0.000885 -0.001684 -0.002946 0.000968 -0.003720 28O 1f+1 0.001765 0.000152 -0.000386 -0.001154 -0.000223 -0.001898 28O 1f-1 0.000376 -0.000286 -0.000653 0.000181 -0.000838 0.001021 28O 1f+2 0.001655 -0.000635 0.001698 0.000762 -0.000200 0.006185 28O 1f-2 -0.001106 0.000423 0.000413 0.000204 -0.000948 0.000915 28O 1f+3 0.001352 -0.000260 0.000817 0.000138 -0.000731 0.004558 28O 1f-3 -0.002360 -0.000323 -0.000243 0.001389 -0.000690 -0.000576 29O 1s -0.001225 -0.005563 -0.003280 0.003738 -0.008089 0.017215 29O 2s -0.002812 -0.011296 -0.009404 0.007599 -0.019859 0.033116 29O 3s -0.000036 -0.018741 0.036320 0.013286 0.033814 0.091779 29O 4s 0.061765 0.303807 -0.055523 -0.217268 0.174186 -1.178949 29O 5s -0.249423 -0.616176 0.237030 0.460886 -0.259094 2.761193 29O 1pz 0.012585 0.015801 0.019977 -0.009736 0.031815 -0.006818 29O 1px 0.023984 -0.011888 -0.054496 0.028390 -0.113659 0.047593 29O 1py -0.018656 -0.000118 -0.021664 0.003038 -0.033238 0.004959 29O 2pz 0.015564 0.056041 0.036550 -0.025725 0.059411 -0.060893 29O 2px 0.064212 -0.052432 -0.073406 0.072303 -0.218560 0.226932 29O 2py -0.037408 0.021685 -0.043565 -0.003775 -0.067479 -0.042651 29O 3pz -0.129354 -0.252532 -0.208872 0.090250 0.048267 0.096944 29O 3px -0.166829 0.124785 -0.040371 -0.148995 0.051481 -0.670711 29O 3py 0.111576 -0.029891 0.171773 -0.123428 0.482953 -0.381079 29O 1dz2 -0.000543 -0.000106 0.000526 -0.001243 0.004838 -0.005832 29O 1dxz 0.000956 0.001344 -0.000125 -0.000200 0.003577 -0.001865 29O 1dyz -0.001092 -0.001505 -0.001541 0.000371 0.000350 -0.000933 29O 1dx2y2 0.000391 0.001136 -0.001245 0.000157 -0.001938 -0.001644 29O 1dxy -0.001360 -0.002106 0.000313 -0.000157 -0.002488 0.003200 29O 2dz2 0.005732 -0.007189 0.010912 -0.007077 0.015532 -0.003710 29O 2dxz -0.007420 0.005440 0.002771 0.007439 -0.004568 0.016313 29O 2dyz 0.002116 0.001340 0.001862 -0.002280 -0.011620 0.006100 29O 2dx2y2 -0.025928 0.018857 -0.001978 -0.009292 0.045451 -0.051999 29O 2dxy 0.008243 0.000599 -0.001770 0.010535 0.018578 -0.007433 29O 1f0 -0.000272 0.001090 0.000756 -0.000332 0.001211 -0.002582 29O 1f+1 -0.000321 0.000004 -0.000319 0.000361 -0.000838 0.001551 29O 1f-1 0.000078 0.000624 -0.000140 0.000256 -0.000254 -0.001497 29O 1f+2 0.000564 -0.001162 -0.000814 -0.000141 -0.000614 0.001013 29O 1f-2 0.000646 -0.000291 -0.000517 0.000092 0.000370 -0.001591 29O 1f+3 -0.001187 0.000414 -0.000713 -0.000093 0.000290 -0.000240 29O 1f-3 -0.000439 0.000879 -0.000521 0.000709 0.000137 -0.000008 30O 1s 0.003368 0.006071 -0.002485 0.002211 -0.010946 -0.011113 30O 2s 0.008560 0.013331 -0.006382 0.005264 -0.024799 -0.025867 30O 3s -0.020135 -0.000772 0.020635 -0.009291 0.002978 0.030275 30O 4s -0.037340 -0.165962 -0.023207 0.024290 0.315825 0.382307 30O 5s 0.358870 0.792161 0.106763 -0.366284 0.257560 -2.281969 30O 1pz -0.017140 0.047489 0.024789 0.046965 0.036017 -0.002899 30O 1px -0.017641 -0.018514 0.083192 -0.002988 -0.039566 0.011915 30O 1py -0.043870 -0.044831 0.027344 0.054170 -0.014348 0.005222 30O 2pz -0.087328 0.029683 0.125381 0.056132 0.011479 0.069008 30O 2px -0.005697 -0.030809 0.165817 -0.015264 -0.087316 -0.101566 30O 2py -0.112287 0.030223 -0.029227 0.138321 0.040713 -0.094681 30O 3pz -0.096071 0.114084 -0.263935 0.082403 -0.376888 0.633555 30O 3px 0.153170 0.412381 -0.879884 0.022373 0.970476 -1.112471 30O 3py 0.399877 -0.457753 0.325696 -0.578740 0.157767 -0.548742 30O 1dz2 -0.006348 -0.002890 -0.003419 -0.001400 0.001953 -0.003238 30O 1dxz 0.002473 -0.003272 -0.001785 -0.000522 0.005462 -0.003474 30O 1dyz 0.003521 -0.003730 0.001194 -0.001009 0.003178 -0.003567 30O 1dx2y2 -0.001475 -0.001811 0.003588 -0.002389 -0.003578 0.002628 30O 1dxy 0.000481 0.004051 -0.000148 0.001715 -0.004175 0.003462 30O 2dz2 -0.029268 0.007507 0.011317 -0.000356 -0.008031 0.001279 30O 2dxz -0.025916 -0.019609 0.038483 -0.013657 -0.025739 0.056212 30O 2dyz -0.010563 -0.015926 -0.001321 0.009687 -0.006011 0.050648 30O 2dx2y2 -0.023048 0.000850 -0.007706 -0.000573 -0.005855 -0.007512 30O 2dxy -0.000959 0.045860 -0.029243 -0.006218 0.027126 -0.068255 30O 1f0 0.000261 0.001303 0.000325 -0.000322 0.000244 -0.004795 30O 1f+1 0.001801 0.001097 0.000304 0.000871 -0.000431 -0.000385 30O 1f-1 0.000360 0.000074 0.000354 -0.001816 -0.000326 0.000575 30O 1f+2 -0.001267 -0.000613 0.001638 -0.001040 -0.000633 0.003980 30O 1f-2 -0.001551 -0.001301 0.000823 0.000264 0.000227 0.006172 30O 1f+3 -0.000281 0.000472 0.000218 0.000422 -0.000529 -0.000248 30O 1f-3 0.001082 -0.001686 0.001986 0.001913 -0.000332 0.006510 31O 1s -0.003332 0.006025 -0.003214 0.001511 0.011074 -0.008874 31O 2s -0.008494 0.013261 -0.008023 0.003689 0.025039 -0.019937 31O 3s 0.020363 -0.001477 0.020702 -0.009233 -0.002042 0.011859 31O 4s 0.034936 -0.163357 -0.001847 0.044978 -0.320433 0.383909 31O 5s -0.346739 0.834250 0.128184 -0.347497 -0.289565 -2.114029 31O 1pz -0.019117 -0.047800 -0.026504 -0.049762 0.033309 0.001886 31O 1px -0.018084 0.020706 -0.080072 0.004938 -0.043391 0.022012 31O 1py -0.044127 0.046923 -0.025710 -0.053714 -0.020733 0.032373 31O 2pz -0.091877 -0.027713 -0.124994 -0.058304 0.005876 -0.048186 31O 2px -0.006928 0.034062 -0.159063 0.019542 -0.092766 0.157510 31O 2py -0.114249 -0.028015 0.028306 -0.139671 0.029383 0.113400 31O 3pz -0.087304 -0.095726 0.295920 -0.060864 -0.406847 -0.588090 31O 3px 0.155307 -0.452260 0.811796 -0.075533 1.011503 0.656385 31O 3py 0.408188 0.436291 -0.340955 0.553289 0.213102 0.578297 31O 1dz2 0.006267 -0.002940 -0.003415 -0.001295 -0.002149 -0.001281 31O 1dxz -0.002536 -0.003069 -0.001320 -0.000260 -0.005846 -0.003304 31O 1dyz -0.003533 -0.003692 0.001443 -0.000816 -0.003332 -0.004310 31O 1dx2y2 0.001474 -0.001968 0.003288 -0.002583 0.003535 0.002541 31O 1dxy -0.000430 0.003912 -0.000424 0.001379 0.004492 0.003285 31O 2dz2 0.029525 0.006353 0.010474 -0.000697 0.008927 -0.005397 31O 2dxz 0.026214 -0.021117 0.036764 -0.015089 0.027081 0.040040 31O 2dyz 0.010199 -0.017385 -0.001907 0.009065 0.007703 0.028227 31O 2dx2y2 0.023192 0.000542 -0.008230 -0.001006 0.005263 -0.005667 31O 2dxy 0.001439 0.046834 -0.027554 -0.005005 -0.028650 -0.049838 31O 1f0 0.000236 -0.001358 -0.000331 0.000287 0.000245 0.004697 31O 1f+1 0.001805 -0.001100 -0.000297 -0.000871 -0.000491 0.001403 31O 1f-1 0.000352 -0.000093 -0.000354 0.001854 -0.000207 -0.000703 31O 1f+2 -0.001274 0.000655 -0.001595 0.001068 -0.000608 -0.003245 31O 1f-2 -0.001541 0.001366 -0.000842 -0.000273 0.000192 -0.004810 31O 1f+3 -0.000290 -0.000431 -0.000159 -0.000382 -0.000573 -0.000537 31O 1f-3 0.001108 0.001705 -0.001999 -0.001935 -0.000490 -0.004675 32O 1s 0.001089 -0.005650 -0.003845 0.003238 0.007321 0.018291 32O 2s 0.002525 -0.011502 -0.010785 0.006372 0.018044 0.035730 32O 3s -0.000259 -0.018442 0.038601 0.015279 -0.031996 0.088989 32O 4s -0.055740 0.305396 -0.043286 -0.205926 -0.152766 -1.207531 32O 5s 0.241176 -0.613164 0.220192 0.441379 0.220980 2.815570 32O 1pz 0.013047 -0.016227 -0.022781 0.007833 0.029291 0.017148 32O 1px 0.025159 0.014481 0.062559 -0.021702 -0.108156 -0.058937 32O 1py -0.018400 0.000225 0.023621 -0.001334 -0.031316 0.001240 32O 2pz 0.016775 -0.056158 -0.042334 0.022898 0.053792 0.075197 32O 2px 0.067332 0.059054 0.090064 -0.060059 -0.207873 -0.235637 32O 2py -0.037531 -0.022864 0.046930 0.007813 -0.065175 0.037969 32O 3pz -0.131636 0.249310 0.215493 -0.103695 0.055029 -0.141809 32O 3px -0.175165 -0.139776 0.027528 0.144771 0.038034 0.629677 32O 3py 0.109909 0.036530 -0.196974 0.092394 0.467394 0.486010 32O 1dz2 0.000506 0.000049 0.000899 -0.000982 -0.004732 -0.005888 32O 1dxz -0.001002 0.001381 0.000106 0.000020 -0.003481 -0.002339 32O 1dyz 0.001106 -0.001445 -0.001547 0.000391 -0.000557 -0.000669 32O 1dx2y2 -0.000420 0.001182 -0.001335 0.000030 0.001914 -0.001229 32O 1dxy 0.001347 -0.002045 0.000199 -0.000269 0.002316 0.002393 32O 2dz2 -0.005584 -0.006562 0.011635 -0.005870 -0.015314 -0.012415 32O 2dxz 0.007496 0.005084 0.001597 0.007698 0.005074 0.020046 32O 2dyz -0.001727 0.001462 0.001632 -0.003392 0.009590 0.005420 32O 2dx2y2 0.026410 0.020080 0.001012 -0.006855 -0.044510 -0.048849 32O 2dxy -0.008195 0.000932 -0.000405 0.011572 -0.018477 -0.003769 32O 1f0 -0.000274 -0.001086 -0.000855 0.000265 0.001082 0.002247 32O 1f+1 -0.000325 0.000061 0.000376 -0.000312 -0.000779 -0.001797 32O 1f-1 0.000135 -0.000613 0.000175 -0.000236 -0.000282 0.001266 32O 1f+2 0.000551 0.001160 0.000840 0.000167 -0.000455 -0.000640 32O 1f-2 0.000670 0.000298 0.000457 -0.000107 0.000314 0.001267 32O 1f+3 -0.001157 -0.000394 0.000730 0.000087 0.000385 0.000164 32O 1f-3 -0.000474 -0.000922 0.000520 -0.000698 0.000156 -0.000586 33O 1s 0.001252 -0.002988 -0.003167 -0.002708 0.008950 -0.005736 33O 2s 0.002779 -0.006175 -0.007782 -0.006021 0.020490 -0.013812 33O 3s -0.001935 -0.005445 0.018167 0.002121 -0.006941 0.030326 33O 4s -0.036745 0.057401 0.015822 0.119050 -0.231828 0.202457 33O 5s 0.061082 -0.273088 -0.198115 -0.696743 -0.329550 -2.459751 33O 1pz -0.015703 0.051388 0.040559 0.030885 0.017225 0.029166 33O 1px -0.002180 -0.023676 -0.075459 0.036061 -0.015699 -0.051705 33O 1py 0.011364 0.015398 -0.020607 -0.067360 -0.014895 0.038123 33O 2pz -0.004895 0.017132 -0.025466 0.042712 -0.004108 -0.105324 33O 2px -0.039587 -0.044241 -0.117319 0.096873 -0.036416 0.026022 33O 2py 0.079616 -0.040218 -0.092049 -0.128559 -0.058794 0.031578 33O 3pz -0.121564 0.393867 0.139272 -0.342025 -0.391661 -0.755032 33O 3px -0.106572 0.167566 0.715476 0.153626 0.696724 1.655829 33O 3py -0.150828 0.382511 0.501233 0.219926 0.206786 -0.003839 33O 1dz2 0.006325 -0.002538 -0.003855 0.002425 -0.000426 -0.000554 33O 1dxz -0.000372 0.003674 -0.000557 -0.001114 -0.004573 -0.006438 33O 1dyz -0.004327 -0.002559 -0.000215 -0.001463 -0.001530 0.000912 33O 1dx2y2 -0.000401 -0.001725 0.001672 0.002071 0.004397 0.005421 33O 1dxy 0.003108 0.000893 0.001544 0.001256 0.001731 0.001187 33O 2dz2 0.015986 -0.017949 0.002396 -0.013014 -0.003873 -0.025406 33O 2dxz -0.003579 0.008845 0.048123 0.016596 0.024680 0.104397 33O 2dyz -0.023005 0.005761 0.008665 -0.005883 0.009029 -0.027584 33O 2dx2y2 0.025558 -0.020014 -0.015735 -0.009461 -0.008949 -0.046317 33O 2dxy -0.013002 0.017153 0.002993 -0.003690 0.010504 0.027113 33O 1f0 -0.000432 -0.000889 0.001656 0.002865 0.001187 0.003579 33O 1f+1 0.001780 -0.000188 0.000410 0.001162 -0.000200 0.002205 33O 1f-1 0.000411 0.000287 0.000687 -0.000158 -0.000791 -0.000063 33O 1f+2 0.001642 0.000581 -0.001754 -0.000678 -0.000210 -0.007836 33O 1f-2 -0.001121 -0.000388 -0.000344 -0.000189 -0.000943 0.000104 33O 1f+3 0.001356 0.000232 -0.000818 -0.000057 -0.000709 -0.005105 33O 1f-3 -0.002366 0.000382 0.000306 -0.001342 -0.000737 0.000909 34O 1s -0.001774 0.000856 0.001621 -0.003905 -0.008654 -0.005056 34O 2s -0.002551 0.000429 0.003796 -0.009204 -0.019400 -0.011774 34O 3s -0.023173 0.024285 -0.002526 0.011771 -0.001549 0.020156 34O 4s 0.224311 -0.271905 0.120148 0.054369 0.275285 0.164550 34O 5s -1.385825 2.704982 -1.967030 0.293310 -0.023759 -1.140249 34O 1pz 0.018049 -0.008649 -0.003674 -0.075826 0.022160 0.007960 34O 1px 0.022071 -0.001601 0.031851 -0.021082 -0.021289 -0.004865 34O 1py -0.000929 0.071667 -0.028293 -0.007689 0.002294 0.035844 34O 2pz 0.067224 -0.026522 0.040128 -0.155257 0.081596 -0.010654 34O 2px -0.014038 0.067531 0.013535 -0.059561 -0.028011 -0.144396 34O 2py 0.063971 0.144016 -0.108646 0.031565 -0.044743 0.128951 34O 3pz 0.074601 0.034990 -0.251309 0.368443 -0.450624 0.414333 34O 3px -0.551493 1.133533 -1.546295 0.164727 0.836122 -0.725380 34O 3py 0.012707 -0.743376 1.059406 -0.558258 0.169105 -0.389233 34O 1dz2 -0.003876 0.002511 -0.005697 -0.000159 0.003077 -0.002443 34O 1dxz -0.004533 0.001270 0.000109 0.000596 0.003764 -0.003128 34O 1dyz 0.002482 -0.002371 0.000722 -0.001862 0.000866 -0.003219 34O 1dx2y2 0.000014 -0.003038 0.009170 0.000294 -0.006245 0.002906 34O 1dxy -0.005145 0.004961 -0.006480 0.004865 -0.000489 0.000543 34O 2dz2 -0.028783 -0.051476 0.020835 -0.012589 -0.010999 0.035343 34O 2dxz -0.010093 0.007725 0.006899 0.004848 0.004184 -0.003668 34O 2dyz 0.020623 -0.018765 0.030785 -0.007534 0.022154 -0.026871 34O 2dx2y2 -0.038756 0.016707 -0.031267 -0.019860 0.024394 -0.058184 34O 2dxy 0.015927 -0.042361 0.033152 0.004202 -0.010003 0.025791 34O 1f0 -0.000500 -0.000087 0.000298 -0.000225 0.000532 -0.001841 34O 1f+1 -0.000523 -0.002171 0.001917 -0.000707 -0.000301 0.004670 34O 1f-1 0.000240 -0.000093 0.000086 0.000478 -0.000013 -0.000208 34O 1f+2 0.001416 -0.002779 0.002219 -0.000816 -0.000584 0.001657 34O 1f-2 0.000193 -0.000828 0.001284 0.000002 0.000188 -0.001874 34O 1f+3 -0.000072 -0.001697 0.002405 0.002610 -0.000595 0.006261 34O 1f-3 -0.002557 0.001941 -0.001294 0.000356 -0.000638 -0.001418 35O 1s -0.003073 0.001132 0.000968 -0.000954 -0.009226 -0.011931 35O 2s -0.006503 0.004107 0.002575 -0.002159 -0.021138 -0.026506 35O 3s -0.004562 -0.030635 -0.005530 0.000500 0.008613 0.007709 35O 4s 0.140194 0.176144 0.159897 0.030654 0.218020 0.521686 35O 5s -0.541927 -1.903709 -2.254578 -0.116641 0.465278 -3.123190 35O 1pz 0.014800 0.055213 0.043757 0.040039 -0.000983 -0.008106 35O 1px 0.018130 -0.002763 0.045556 0.034879 -0.027067 0.011548 35O 1py -0.014533 0.068972 -0.021770 -0.026008 -0.021464 0.036660 35O 2pz 0.022745 0.131148 0.142161 0.048803 0.038241 -0.037493 35O 2px 0.010607 -0.027163 0.027123 0.048345 -0.046403 -0.133884 35O 2py -0.105757 0.146732 -0.050291 -0.045734 -0.032730 -0.019079 35O 3pz 0.151799 -0.744069 -0.881696 0.078828 -0.045284 -0.025665 35O 3px -0.313135 -0.497870 -1.539515 -0.015533 0.974091 -1.364914 35O 3py 0.027951 -0.604686 -0.754836 -0.001349 0.374924 -0.525849 35O 1dz2 -0.004138 -0.003121 -0.005060 0.000008 0.004154 -0.003088 35O 1dxz -0.002892 0.005121 0.005436 -0.002229 -0.000699 0.000324 35O 1dyz 0.001405 -0.000256 0.000841 -0.000591 -0.000153 -0.000029 35O 1dx2y2 -0.002835 -0.000859 0.008734 -0.004118 -0.006876 0.003432 35O 1dxy 0.004690 0.000886 0.006655 0.001010 -0.004347 0.002363 35O 2dz2 -0.026994 -0.002233 -0.007809 0.030067 -0.023859 0.030166 35O 2dxz -0.016664 -0.016050 -0.013114 -0.007406 0.006779 -0.032632 35O 2dyz 0.026394 -0.035236 -0.026722 -0.009863 -0.001943 -0.013150 35O 2dx2y2 -0.028165 -0.003645 -0.037868 -0.000478 0.008297 -0.050019 35O 2dxy -0.016185 -0.019529 -0.049602 0.006443 0.018654 -0.072140 35O 1f0 -0.000498 0.001019 0.000514 0.000011 0.000213 0.000118 35O 1f+1 -0.000749 -0.000270 0.002496 0.001771 0.000500 0.005364 35O 1f-1 0.000399 -0.002285 -0.000855 0.000516 0.000837 0.000516 35O 1f+2 -0.000483 0.000141 0.001196 0.000723 -0.000376 -0.000340 35O 1f-2 0.000103 -0.001649 -0.001071 -0.000493 0.000052 -0.000314 35O 1f+3 -0.001450 -0.000159 0.002325 -0.001117 -0.000566 0.003342 35O 1f-3 0.001467 0.000737 0.002004 0.000883 0.000334 0.007594 240 241 242 243 244 245 0.76814 0.77497 0.78240 0.78366 0.79561 0.81137 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s -0.000844 0.000578 0.000033 -0.003616 -0.000076 0.003619 0Rh 2s 0.004171 -0.000023 -0.000189 0.007453 0.001133 -0.006269 0Rh 3s -0.002352 0.003359 0.000076 -0.016503 0.000255 0.017257 0Rh 4s -0.019428 -0.000856 0.000898 -0.031002 -0.005524 0.025116 0Rh 5s 0.025646 0.020610 -0.001435 -0.032745 0.012263 0.048864 0Rh 6s 0.000442 -0.085254 0.000414 0.310454 -0.020922 -0.342159 0Rh 7s -0.095921 0.436483 -0.032967 -1.432623 0.111945 1.381997 0Rh 8s -0.137096 0.993096 0.304082 -0.337060 0.077204 -0.370077 0Rh 1pz -0.002029 0.004062 0.009545 -0.002801 0.007887 0.006300 0Rh 1px 0.001220 -0.010540 0.001262 0.008691 -0.001776 -0.017630 0Rh 1py -0.004081 -0.008133 -0.002642 -0.000963 0.007186 0.001011 0Rh 2pz 0.006881 -0.013938 -0.032763 0.009646 -0.027207 -0.021084 0Rh 2px -0.004366 0.035678 -0.004434 -0.029238 0.005884 0.059684 0Rh 2py 0.013915 0.028074 0.009097 0.003253 -0.025231 -0.003657 0Rh 3pz -0.003390 0.009770 0.023066 -0.007361 0.021656 0.003913 0Rh 3px 0.007059 -0.015363 0.005093 0.008579 0.000130 -0.024741 0Rh 3py -0.007860 -0.023027 -0.007010 -0.001319 0.028921 0.006338 0Rh 4pz -0.020385 0.032345 0.076312 -0.021515 0.054445 0.092295 0Rh 4px -0.009128 -0.120571 0.003293 0.117553 -0.030956 -0.211375 0Rh 4py -0.040227 -0.052158 -0.018582 -0.010634 0.015292 -0.007423 0Rh 5pz 0.007246 -0.026673 -0.058198 0.043772 -0.047486 -0.113977 0Rh 5px 0.061553 0.123342 -0.000988 -0.164077 0.046691 0.282179 0Rh 5py 0.024156 0.026640 0.008003 -0.000406 0.018987 0.035885 0Rh 6pz 0.606395 0.652957 0.170242 -2.113290 1.165864 -0.318037 0Rh 6px -0.675813 0.375335 0.174468 0.733356 -0.209428 -1.997123 0Rh 6py 1.775601 -0.543569 0.002027 0.838779 2.297630 -0.006389 0Rh 1dz2 0.008826 0.016101 -0.055808 0.014286 -0.003435 -0.023834 0Rh 1dxz -0.015702 0.001709 -0.030840 0.026624 0.000246 0.010355 0Rh 1dyz -0.008586 -0.008090 0.030132 0.000121 -0.001926 0.002233 0Rh 1dx2y2 0.017785 0.004601 -0.046136 0.011986 0.009776 0.034637 0Rh 1dxy -0.003283 0.001770 -0.002245 -0.017532 -0.013571 0.010661 0Rh 2dz2 -0.002101 -0.003302 0.011915 -0.002775 -0.000003 0.005608 0Rh 2dxz 0.002334 -0.001005 0.007013 -0.006770 -0.000431 -0.001454 0Rh 2dyz 0.002422 0.002431 -0.006158 -0.000340 -0.002455 -0.000628 0Rh 2dx2y2 -0.001781 -0.000185 0.010124 -0.001638 -0.001602 -0.009110 0Rh 2dxy 0.002801 -0.000072 0.000593 0.004281 0.002107 -0.003240 0Rh 3dz2 -0.008901 -0.018352 0.062181 -0.016940 0.007084 0.024220 0Rh 3dxz 0.021695 0.000854 0.032629 -0.024971 0.001240 -0.015110 0Rh 3dyz 0.006791 0.005996 -0.034754 0.001213 0.014321 -0.001800 0Rh 3dx2y2 -0.028216 -0.008655 0.050140 -0.017455 -0.012929 -0.031036 0Rh 3dxy -0.005214 -0.003284 0.002014 0.017139 0.018414 -0.007721 0Rh 4dz2 -0.037427 -0.061893 0.216688 -0.052318 -0.000576 0.101805 0Rh 4dxz 0.045012 -0.016668 0.125397 -0.118481 -0.005145 -0.028814 0Rh 4dyz 0.046294 0.041795 -0.111847 -0.004690 -0.036171 -0.012971 0Rh 4dx2y2 -0.037568 -0.004013 0.183200 -0.033562 -0.031119 -0.162071 0Rh 4dxy 0.043666 -0.002040 0.010976 0.076268 0.042638 -0.056537 0Rh 5dz2 0.059362 0.145051 -0.459251 0.085580 0.124783 -0.248353 0Rh 5dxz -0.038767 0.090099 -0.278427 0.298038 0.003355 0.051376 0Rh 5dyz -0.256361 -0.148124 0.198556 0.023314 0.337851 0.104180 0Rh 5dx2y2 -0.052260 -0.092186 -0.401567 0.065086 0.056808 0.451315 0Rh 5dxy -0.249787 -0.033170 -0.042830 -0.195797 -0.053330 0.191118 0Rh 1f0 0.003248 0.013580 -0.000948 0.002421 -0.001341 0.003954 0Rh 1f+1 -0.002310 -0.008873 0.004962 0.005356 -0.003291 0.007178 0Rh 1f-1 0.002979 -0.001712 0.001408 -0.002346 -0.002777 -0.000223 0Rh 1f+2 -0.004401 -0.016542 0.000971 0.003218 -0.006611 0.001700 0Rh 1f-2 0.002885 -0.007050 -0.005812 0.000391 0.007411 -0.003350 0Rh 1f+3 -0.006892 -0.015168 -0.008715 -0.000290 -0.010267 0.002083 0Rh 1f-3 -0.001299 -0.007836 -0.003522 0.000170 -0.003578 0.001218 1Rh 1s -0.001424 0.000427 0.000282 0.003458 -0.000145 -0.003734 1Rh 2s 0.004656 0.000395 -0.000664 -0.006880 0.001198 0.006529 1Rh 3s -0.005436 0.002735 0.001234 0.015936 -0.000109 -0.017768 1Rh 4s -0.020773 -0.002691 0.002840 0.028407 -0.005727 -0.026223 1Rh 5s 0.009875 0.020769 0.001323 0.034685 0.010568 -0.049587 1Rh 6s 0.075732 -0.075746 -0.021911 -0.303937 -0.012825 0.351725 1Rh 7s -0.317378 0.371365 0.062293 1.395404 0.090976 -1.447451 1Rh 8s -0.681720 1.025605 0.331755 0.270499 0.065501 0.356856 1Rh 1pz 0.001088 -0.004064 -0.009838 -0.001840 -0.007693 0.008113 1Rh 1px -0.005671 0.010900 -0.000494 0.008405 0.001076 -0.017578 1Rh 1py -0.003129 0.008411 0.002550 -0.001498 -0.007252 0.001055 1Rh 2pz -0.003923 0.013955 0.033763 0.006332 0.026554 -0.027299 1Rh 2px 0.019428 -0.036912 0.001845 -0.028262 -0.003512 0.059485 1Rh 2py 0.010649 -0.029035 -0.008789 0.005110 0.025467 -0.003806 1Rh 3pz 0.006668 -0.009984 -0.023623 -0.004762 -0.021490 0.008054 1Rh 3px -0.013509 0.016244 -0.004208 0.007948 -0.001206 -0.024191 1Rh 3py -0.005715 0.023826 0.006914 -0.003003 -0.029227 0.006369 1Rh 4pz -0.007501 -0.031526 -0.079276 -0.014987 -0.051699 0.108065 1Rh 4px -0.042077 0.123250 0.006601 0.115497 0.023076 -0.212431 1Rh 4py -0.030982 0.053872 0.017460 -0.013420 -0.015356 -0.006763 1Rh 5pz 0.032191 0.024522 0.062608 0.041141 0.043408 -0.130622 1Rh 5px -0.000766 -0.123639 -0.012499 -0.166610 -0.037882 0.283362 1Rh 5py 0.008124 -0.026495 -0.007767 -0.000106 -0.018226 0.035006 1Rh 6pz 0.332364 -0.628823 -0.289517 -2.092468 -1.173378 -0.124510 1Rh 6px 0.343671 -0.446538 -0.113533 0.815366 0.189577 -1.936036 1Rh 6py 1.591334 0.495090 0.063911 0.765898 -2.367319 -0.027084 1Rh 1dz2 -0.016027 0.015746 -0.056870 -0.011375 -0.003151 0.022324 1Rh 1dxz 0.003777 0.001238 -0.032205 -0.025375 0.000167 -0.010890 1Rh 1dyz 0.007572 -0.008116 0.029957 -0.001798 -0.001166 -0.001358 1Rh 1dx2y2 0.001049 0.005269 -0.046231 -0.007741 0.008718 -0.035593 1Rh 1dxy 0.003183 0.002160 -0.000763 0.017089 -0.015093 -0.010708 1Rh 2dz2 0.002493 -0.003298 0.012125 0.002098 -0.000099 -0.005210 1Rh 2dxz -0.001674 -0.000951 0.007389 0.006383 -0.000433 0.001552 1Rh 2dyz -0.002242 0.002398 -0.006108 0.000647 -0.002672 0.000508 1Rh 2dx2y2 0.000978 -0.000214 0.010084 0.000892 -0.001360 0.009264 1Rh 2dxy -0.001523 -0.000099 0.000226 -0.004114 0.002439 0.003247 1Rh 3dz2 0.021757 -0.017658 0.063422 0.013930 0.006930 -0.022855 1Rh 3dxz -0.000433 0.001573 0.033781 0.024090 0.001419 0.015788 1Rh 3dyz -0.005525 0.006191 -0.034615 0.000873 0.013711 0.000535 1Rh 3dx2y2 -0.006250 -0.009865 0.050526 0.012055 -0.011834 0.032330 1Rh 3dxy -0.000016 -0.003949 0.000588 -0.016958 0.020079 0.007783 1Rh 4dz2 0.046970 -0.061554 0.220650 0.040121 -0.002315 -0.094684 1Rh 4dxz -0.028316 -0.015525 0.131880 0.111768 -0.005165 0.030538 1Rh 4dyz -0.043110 0.041274 -0.111052 0.010398 -0.040089 0.010612 1Rh 4dx2y2 0.013505 -0.005065 0.182650 0.019494 -0.026699 0.164989 1Rh 4dxy -0.023892 -0.002831 0.004440 -0.073434 0.048650 0.056726 1Rh 5dz2 -0.014955 0.148516 -0.466038 -0.056596 0.132921 0.224711 1Rh 5dxz 0.109675 0.089881 -0.295392 -0.277504 0.003926 -0.053395 1Rh 5dyz 0.241688 -0.142797 0.197814 -0.031454 0.354523 -0.105578 1Rh 5dx2y2 -0.065881 -0.093985 -0.399162 -0.042182 0.047265 -0.451668 1Rh 5dxy 0.133374 -0.032834 -0.025237 0.186131 -0.065830 -0.192005 1Rh 1f0 -0.001648 -0.013703 0.001032 0.002276 0.001071 0.004532 1Rh 1f+1 0.000597 0.008763 -0.004786 0.005766 0.003343 0.006702 1Rh 1f-1 0.004699 0.001748 -0.001513 -0.002107 0.002543 -0.000806 1Rh 1f+2 0.003248 0.016740 -0.000722 0.003694 0.006561 0.001409 1Rh 1f-2 0.004858 0.007042 0.005866 0.000011 -0.007276 -0.003498 1Rh 1f+3 0.002026 0.015258 0.008642 -0.000280 0.010087 0.001422 1Rh 1f-3 -0.002799 0.007675 0.003478 -0.000407 0.003911 0.000959 2C 1s -0.004134 0.000618 0.000359 0.003664 0.004464 0.002639 2C 2s -0.012050 0.002899 0.001303 0.010269 0.013839 0.005400 2C 3s 0.046070 -0.050241 -0.018166 -0.038630 -0.058198 0.081199 2C 4s 0.185345 0.233892 0.157196 -0.032771 0.216692 -0.507968 2C 5s 3.747485 0.349675 -1.178886 -2.987114 -5.562697 -4.329062 2C 1pz 0.051195 -0.004754 -0.000755 -0.041263 -0.043996 -0.015593 2C 1px -0.024154 0.004104 -0.009096 -0.002219 0.035327 0.011844 2C 1py 0.054946 -0.009341 -0.001417 -0.015114 -0.023654 -0.010262 2C 2pz 0.144128 0.111971 0.038360 -0.190819 -0.166226 -0.293484 2C 2px -0.262117 0.051901 -0.032398 0.041866 0.181056 -0.059494 2C 2py 0.290947 0.073704 -0.008877 0.065243 -0.123121 -0.185428 2C 3pz 1.385275 0.201135 0.034885 -0.685688 -0.972741 -0.751392 2C 3px -0.316537 0.166775 0.015962 0.462922 -0.417655 -0.708675 2C 3py 0.340873 -0.295418 -0.569042 -0.862010 -1.000953 -0.962823 2C 1dz2 0.003267 0.004715 -0.002313 0.002361 -0.001668 -0.000984 2C 1dxz 0.003063 0.001734 -0.001065 0.004089 0.002061 -0.001553 2C 1dyz 0.000930 -0.001499 0.001313 -0.004471 -0.002671 -0.003548 2C 1dx2y2 0.004000 0.002375 -0.001208 0.002123 0.000404 0.003289 2C 1dxy 0.001791 0.001053 -0.001306 -0.000485 -0.000779 -0.001266 2C 2dz2 0.303856 -0.049878 0.287442 0.160330 0.087039 0.119283 2C 2dxz 0.132543 -0.119225 0.046056 0.023975 -0.448139 -0.071018 2C 2dyz -0.182312 0.102372 -0.201212 -0.067979 0.017548 -0.133256 2C 2dx2y2 -0.064989 -0.067327 0.134871 0.253602 0.061107 0.021951 2C 2dxy -0.056721 0.084014 0.093603 0.075932 -0.202906 0.003054 2C 1f0 0.005283 -0.009236 0.010782 0.004440 0.008726 0.000410 2C 1f+1 -0.005633 -0.000058 0.000859 -0.003323 -0.004355 -0.001862 2C 1f-1 0.006320 0.002090 0.000969 -0.003739 -0.008918 -0.008745 2C 1f+2 0.000019 -0.006766 0.006617 0.001126 -0.004440 0.005591 2C 1f-2 0.004088 -0.003365 0.002498 -0.000007 -0.013455 -0.007331 2C 1f+3 0.002938 -0.003000 0.000297 0.004054 -0.003960 0.001850 2C 1f-3 -0.003266 0.007286 -0.006177 0.000088 0.009650 0.001353 3C 1s 0.002145 0.002763 0.000825 0.006398 -0.003285 0.003546 3C 2s 0.005741 0.009510 0.002510 0.016531 -0.009960 0.009331 3C 3s 0.007134 -0.072935 -0.018468 0.003155 0.044297 0.007980 3C 4s -0.201326 0.221088 -0.063003 -0.460185 -0.167774 -0.155792 3C 5s -3.057312 -2.046913 0.916823 -4.928617 4.697111 -3.962803 3C 1pz -0.023490 -0.030175 -0.017586 -0.054404 0.045621 -0.046987 3C 1px -0.003498 0.006367 0.016265 -0.029041 -0.012384 0.016478 3C 1py 0.038249 0.029730 0.003443 0.024355 -0.021940 0.019544 3C 2pz -0.079923 -0.093996 -0.056935 -0.407747 0.230382 -0.294138 3C 2px 0.036906 0.087305 0.063127 -0.164621 -0.033894 -0.069915 3C 2py 0.176565 -0.041557 -0.024390 0.182517 -0.084233 0.139066 3C 3pz -1.161251 -0.868860 0.326023 -0.616102 0.543553 -0.244652 3C 3px -0.040179 -0.364604 0.126053 -0.130930 0.502661 -0.818016 3C 3py 0.518064 0.154773 0.071128 1.480494 -0.948170 0.743385 3C 1dz2 -0.001823 -0.001901 -0.002963 0.003283 -0.002554 0.001091 3C 1dxz -0.002856 -0.000955 -0.000883 0.002191 -0.002093 0.000351 3C 1dyz 0.005014 0.002611 0.000877 0.002213 -0.002038 0.000209 3C 1dx2y2 -0.004023 -0.002059 -0.002250 0.004602 -0.001628 0.001607 3C 1dxy 0.001878 -0.000651 0.000766 0.001479 -0.000357 0.000480 3C 2dz2 -0.334696 -0.051824 0.321442 0.112671 -0.092409 0.145235 3C 2dxz -0.082525 -0.083166 0.059314 0.079958 0.180950 -0.035650 3C 2dyz 0.051697 -0.194332 -0.214970 -0.072402 0.096260 -0.145774 3C 2dx2y2 0.064954 0.051869 0.195092 0.245640 -0.054454 0.109256 3C 2dxy -0.054551 0.198842 -0.019700 0.011506 -0.204101 0.227875 3C 1f0 0.000465 0.005213 0.006335 0.010058 -0.004908 0.009874 3C 1f+1 -0.001440 0.007881 0.009211 -0.000890 -0.005197 0.006822 3C 1f-1 0.000930 -0.007703 -0.015661 -0.005574 -0.000973 -0.006613 3C 1f+2 0.007896 0.000649 -0.001016 0.007806 -0.000621 0.003667 3C 1f-2 0.001469 0.001164 -0.004538 0.007031 -0.003802 0.005471 3C 1f+3 0.000160 -0.003077 0.000512 0.002020 0.008412 -0.004974 3C 1f-3 0.003420 -0.005708 0.000406 0.002690 0.008875 -0.006846 4C 1s 0.016248 0.005217 0.002525 -0.010841 -0.009554 -0.010060 4C 2s 0.040132 0.011827 0.005943 -0.026248 -0.021209 -0.022785 4C 3s -0.289748 0.079871 0.006430 0.118315 0.112068 -0.057941 4C 4s 1.437696 -1.118068 -0.326094 -0.499302 -0.606097 0.710112 4C 5s 0.086883 -0.851678 0.363242 0.929182 1.274434 3.264966 4C 1pz -0.095853 0.022650 -0.016244 0.035699 0.007061 -0.019910 4C 1px 0.006411 0.022997 -0.017577 -0.025478 0.112048 0.039352 4C 1py -0.035801 -0.041758 0.022951 0.044346 0.021912 0.023125 4C 2pz 0.182252 -0.157413 -0.032027 0.171756 -0.271459 -0.189222 4C 2px 0.024820 0.123205 -0.146773 -0.410286 0.428634 0.713629 4C 2py 0.124466 -0.032556 -0.052375 -0.081585 -0.004109 0.137212 4C 3pz 2.872493 -0.457954 -0.568058 -2.148076 -3.478445 -2.917517 4C 3px 1.951046 0.021329 -0.001533 -1.508026 1.594552 0.884948 4C 3py 3.029272 1.054656 -0.085939 -1.091917 -1.195771 -1.115995 4C 1dz2 -0.004894 0.009196 -0.016228 -0.009358 -0.014203 -0.014246 4C 1dxz -0.000615 0.009520 -0.005875 -0.005768 0.008875 -0.001513 4C 1dyz 0.014872 -0.005047 0.008318 -0.000678 -0.011583 -0.005883 4C 1dx2y2 -0.000635 -0.002953 -0.014193 -0.007225 0.005398 0.002985 4C 1dxy 0.005602 -0.000941 -0.000691 -0.007766 0.006024 0.004620 4C 2dz2 -0.189845 -0.220993 0.218800 0.048820 0.178871 0.041599 4C 2dxz -0.294084 -0.044390 -0.022682 -0.075759 0.122692 0.143231 4C 2dyz -0.087168 0.036337 -0.153537 0.161071 0.175603 0.228469 4C 2dx2y2 0.088849 -0.244361 0.033496 -0.064215 -0.214414 0.018983 4C 2dxy -0.010424 -0.005871 0.041719 -0.082019 -0.127329 0.279054 4C 1f0 -0.014720 0.009244 -0.001965 -0.003791 0.001128 -0.010019 4C 1f+1 -0.020946 0.014949 -0.003334 -0.000858 0.017109 -0.010343 4C 1f-1 -0.005541 0.004707 0.001820 0.006447 0.001168 -0.012539 4C 1f+2 0.017402 -0.012378 -0.001156 -0.002828 -0.004945 0.003852 4C 1f-2 -0.004842 0.000320 0.000133 -0.001975 0.005555 0.010459 4C 1f+3 0.006325 0.003494 0.000298 0.002433 0.001560 -0.004456 4C 1f-3 -0.004586 0.000259 0.009986 0.011617 0.009196 -0.016492 5C 1s -0.012066 -0.001250 -0.002043 -0.016002 0.012091 -0.005542 5C 2s -0.027716 -0.002476 -0.005203 -0.037102 0.028406 -0.011984 5C 3s 0.017874 0.126101 0.071136 0.095584 -0.132198 0.022961 5C 4s 0.232496 -1.305975 -0.337683 -0.226806 0.363258 -0.211983 5C 5s 1.416098 -0.512499 -0.932673 1.715396 -1.061876 1.359187 5C 1pz 0.050890 -0.030768 -0.016387 0.024463 -0.024662 -0.046868 5C 1px -0.020283 0.036161 -0.028330 -0.019507 -0.052184 0.046126 5C 1py -0.038685 -0.042800 -0.040400 -0.050102 0.026533 -0.003480 5C 2pz 0.072434 -0.144677 -0.010122 0.120703 0.200635 -0.347036 5C 2px 0.022816 0.195500 -0.046822 -0.517235 -0.369309 0.719817 5C 2py -0.180700 0.188552 0.004240 -0.031645 -0.172457 0.294154 5C 3pz -0.350365 -0.206501 0.017188 -2.226690 2.206044 -2.017029 5C 3px -1.937509 0.630387 0.198170 -2.351203 -0.772429 1.443594 5C 3py 2.438412 2.212122 0.088638 3.251455 -2.556776 2.419089 5C 1dz2 0.012010 0.002246 -0.017825 -0.001788 0.002286 -0.006042 5C 1dxz 0.000770 0.004999 -0.007155 -0.006704 -0.000657 0.001535 5C 1dyz -0.003311 0.009762 0.012527 0.011177 -0.011859 0.012951 5C 1dx2y2 0.008030 0.001404 -0.012158 0.000667 -0.011966 0.007425 5C 1dxy 0.008576 -0.004648 -0.003498 0.012336 0.002722 -0.005047 5C 2dz2 -0.089154 0.190481 0.273832 -0.123448 0.071988 -0.083650 5C 2dxz 0.133168 0.189510 0.038019 0.040049 -0.102046 0.213506 5C 2dyz -0.138052 -0.051790 -0.098604 -0.228014 0.009408 -0.068398 5C 2dx2y2 0.085645 -0.086162 0.058819 -0.328801 0.256843 -0.119406 5C 2dxy -0.084318 -0.023598 -0.039503 -0.033965 0.113698 -0.209587 5C 1f0 0.002978 0.000621 -0.001949 -0.005741 -0.007017 0.004646 5C 1f+1 -0.002799 0.004116 -0.003636 0.003041 -0.004584 -0.005298 5C 1f-1 -0.001421 0.000764 0.000973 0.002282 -0.004427 0.010760 5C 1f+2 -0.005078 -0.000475 0.001257 0.000625 0.001270 0.005636 5C 1f-2 -0.003348 -0.014244 -0.002363 0.008384 0.009967 -0.011071 5C 1f+3 -0.011011 0.014674 0.008062 0.003611 -0.006400 0.004529 5C 1f-3 0.008073 -0.015878 -0.013104 -0.007255 0.005938 0.002022 6C 1s 0.011709 -0.001352 -0.000901 0.016047 0.011529 0.005133 6C 2s 0.031174 -0.002752 -0.002524 0.037452 0.027099 0.011013 6C 3s -0.296544 0.127716 0.062605 -0.116316 -0.132787 -0.024958 6C 4s 1.490566 -1.311568 -0.315169 0.363149 0.386285 0.265290 6C 5s -0.243581 -0.437150 -1.017666 -1.641262 -0.959222 -1.462641 6C 1pz 0.079145 0.029673 0.018772 0.024308 0.022915 -0.045457 6C 1px -0.002793 -0.034129 0.026762 -0.018466 0.051148 0.048692 6C 1py -0.071433 0.042971 0.036275 -0.054348 -0.026279 -0.000551 6C 2pz -0.107729 0.141296 0.020295 0.102517 -0.208075 -0.358492 6C 2px 0.001327 -0.179664 0.008321 -0.509229 0.383342 0.724454 6C 2py 0.096570 -0.186719 -0.009825 -0.009706 0.181523 0.309059 6C 3pz -0.565003 0.236222 -0.140784 -2.289162 -2.165129 -2.093008 6C 3px -1.579963 -0.627361 -0.374859 -2.250722 0.811384 1.505015 6C 3py 2.561414 -2.273457 0.122722 3.323726 2.449249 2.447457 6C 1dz2 -0.014381 0.002535 -0.017908 0.002701 0.002664 0.005295 6C 1dxz -0.007326 0.005077 -0.006741 0.006461 -0.000723 -0.001960 6C 1dyz -0.001639 0.009696 0.011925 -0.012533 -0.011761 -0.013175 6C 1dx2y2 0.002308 0.001515 -0.012195 0.000288 -0.011522 -0.007752 6C 1dxy -0.004325 -0.004496 -0.004362 -0.011542 0.002979 0.005733 6C 2dz2 -0.000989 0.194489 0.281087 0.101270 0.068197 0.083398 6C 2dxz -0.191201 0.187992 0.034196 -0.048384 -0.104986 -0.200999 6C 2dyz -0.047928 -0.055873 -0.083846 0.223048 -0.003649 0.059569 6C 2dx2y2 -0.021471 -0.088076 0.078706 0.332822 0.252858 0.134672 6C 2dxy 0.047484 -0.017911 -0.038362 0.031572 0.116018 0.211984 6C 1f0 0.006855 -0.000456 0.001577 -0.005592 0.007379 0.004775 6C 1f+1 0.009108 -0.004570 0.003934 0.003711 0.004465 -0.004512 6C 1f-1 -0.002118 -0.000567 -0.000929 0.002347 0.004659 0.010593 6C 1f+2 -0.010541 0.000368 -0.001407 0.000347 -0.001282 0.005442 6C 1f-2 -0.021747 0.014015 0.002803 0.007026 -0.010685 -0.011482 6C 1f+3 0.008115 -0.014908 -0.007832 0.005395 0.006770 0.005238 6C 1f-3 -0.014322 0.015796 0.012513 -0.009350 -0.006389 0.002056 7C 1s -0.012571 0.005674 0.002950 0.010823 -0.009095 0.010259 7C 2s -0.027681 0.012952 0.007023 0.026432 -0.020163 0.023225 7C 3s -0.012052 0.074926 -0.001345 -0.137025 0.109004 0.049353 7C 4s 0.352066 -1.112046 -0.282016 0.630053 -0.586389 -0.635187 7C 5s 1.220714 -0.834536 0.309386 -0.836960 1.180367 -3.323211 7C 1pz -0.043318 -0.020399 0.018217 0.037775 -0.006620 -0.018791 7C 1px 0.021307 -0.020512 0.016291 -0.025856 -0.109959 0.040845 7C 1py 0.007359 0.043225 -0.020172 0.048129 -0.021810 0.025138 7C 2pz -0.083875 0.154848 0.043782 0.153727 0.257360 -0.201962 7C 2px 0.012982 -0.105490 0.112952 -0.420603 -0.408909 0.709003 7C 2py -0.031230 0.036191 0.044416 -0.094954 0.002746 0.125334 7C 3pz 2.077613 0.403948 0.474149 -2.193151 3.297697 -3.029558 7C 3px 1.459980 -0.010079 -0.089243 -1.542294 -1.525506 0.941045 7C 3py 2.381157 -1.086363 0.050207 -1.120348 1.107216 -1.208358 7C 1dz2 0.001021 0.009455 -0.015786 0.010121 -0.013867 0.014438 7C 1dxz -0.005427 0.009302 -0.005513 0.005838 0.008450 0.000811 7C 1dyz -0.010667 -0.004893 0.008069 0.000392 -0.010967 0.006774 7C 1dx2y2 0.007705 -0.002958 -0.013457 0.008705 0.005085 -0.002992 7C 1dxy -0.001731 -0.001066 -0.000202 0.008090 0.005889 -0.004831 7C 2dz2 0.166804 -0.221300 0.217728 -0.062301 0.165985 -0.059329 7C 2dxz 0.182967 -0.047842 -0.013144 0.073668 0.112968 -0.144220 7C 2dyz 0.209731 0.033796 -0.157141 -0.141167 0.167438 -0.229555 7C 2dx2y2 0.041951 -0.245289 0.038161 0.075249 -0.213487 -0.006316 7C 2dxy 0.103547 -0.009525 0.048404 0.079330 -0.126471 -0.269865 7C 1f0 -0.003224 -0.009123 0.001804 -0.003246 -0.001073 -0.009537 7C 1f+1 0.003966 -0.014762 0.003271 0.000396 -0.016472 -0.009185 7C 1f-1 0.003241 -0.004669 -0.001260 0.007088 -0.001218 -0.011960 7C 1f+2 -0.003427 0.012147 0.000922 -0.004348 0.005235 0.003502 7C 1f-2 -0.000767 -0.000116 -0.000362 -0.001628 -0.005264 0.010552 7C 1f+3 0.005693 -0.003669 -0.000061 0.002432 -0.001478 -0.004138 7C 1f-3 0.012078 -0.000423 -0.008942 0.013380 -0.009217 -0.015344 8C 1s -0.001660 0.002841 0.000427 -0.006499 -0.003083 -0.003627 8C 2s -0.005781 0.009717 0.001467 -0.016958 -0.009484 -0.009651 8C 3s 0.072797 -0.074314 -0.018301 0.005103 0.045705 -0.003487 8C 4s -0.235091 0.234477 -0.031325 0.421751 -0.188713 0.115560 8C 5s 2.952565 -2.203105 1.196549 5.004849 4.562534 4.196678 8C 1pz -0.031220 0.029823 0.013922 -0.056590 -0.045011 -0.047392 8C 1px -0.005154 -0.006469 -0.018266 -0.027200 0.013799 0.019631 8C 1py 0.040258 -0.030141 -0.001643 0.025812 0.021508 0.021630 8C 2pz -0.036374 0.088488 0.031398 -0.409846 -0.225485 -0.290756 8C 2px 0.088529 -0.086575 -0.071588 -0.154997 0.040866 -0.056080 8C 2py 0.005231 0.038271 0.035082 0.171493 0.074671 0.141036 8C 3pz -1.125866 0.896089 -0.374476 -0.612323 -0.506596 -0.264590 8C 3px -0.044976 0.367392 -0.127410 -0.152516 -0.477354 -0.839296 8C 3py 0.484651 -0.181725 0.015591 1.499879 0.919241 0.780680 8C 1dz2 0.001349 -0.002036 -0.003116 -0.003128 -0.002618 -0.001346 8C 1dxz 0.001816 -0.000938 -0.000960 -0.002187 -0.002191 -0.000474 8C 1dyz -0.002965 0.002765 0.000683 -0.002189 -0.001819 -0.000013 8C 1dx2y2 0.004060 -0.002060 -0.002459 -0.004426 -0.001591 -0.001740 8C 1dxy -0.000873 -0.000765 0.000659 -0.001432 -0.000314 -0.000462 8C 2dz2 0.295550 -0.057995 0.317803 -0.135144 -0.099748 -0.143753 8C 2dxz 0.083530 -0.085754 0.053868 -0.078493 0.180893 0.056587 8C 2dyz -0.010638 -0.189668 -0.210753 0.090555 0.100390 0.142348 8C 2dx2y2 -0.098977 0.049516 0.180067 -0.256131 -0.057996 -0.096218 8C 2dxy 0.023749 0.200554 -0.018350 -0.023594 -0.200611 -0.236653 8C 1f0 0.000851 -0.005218 -0.005807 0.010556 0.004999 0.009752 8C 1f+1 0.000282 -0.007916 -0.009229 -0.000097 0.005249 0.006905 8C 1f-1 0.000918 0.007655 0.015350 -0.006530 0.000925 -0.005883 8C 1f+2 -0.000179 -0.000352 0.001646 0.007035 0.000356 0.003402 8C 1f-2 -0.003524 -0.001319 0.004838 0.006697 0.003527 0.005618 8C 1f+3 0.002007 0.003231 -0.000381 0.001846 -0.008206 -0.005683 8C 1f-3 0.002023 0.005810 -0.000250 0.002387 -0.009027 -0.007615 9C 1s 0.003822 0.000575 0.000215 -0.003693 0.004226 -0.002871 9C 2s 0.009527 0.002791 0.000849 -0.010472 0.013199 -0.006184 9C 3s 0.040300 -0.050010 -0.014483 0.045231 -0.057814 -0.075501 9C 4s -0.542629 0.247001 0.142300 0.002002 0.224623 0.480427 9C 5s -3.148964 0.335448 -1.010725 3.027079 -5.295869 4.607307 9C 1pz 0.032425 0.003464 -0.000992 -0.042568 0.042606 -0.017657 9C 1px -0.018949 -0.003939 0.007650 -0.002441 -0.033892 0.014287 9C 1py 0.037355 0.008415 0.000914 -0.015871 0.020923 -0.013188 9C 2pz 0.236807 -0.115211 -0.043110 -0.183818 0.159511 -0.295041 9C 2px -0.129426 -0.049072 0.030000 0.046139 -0.177641 -0.044819 9C 2py 0.308529 -0.078736 0.017606 0.070426 0.102371 -0.195361 9C 3pz 1.125089 -0.204466 -0.065582 -0.680489 0.919954 -0.809640 9C 3px -0.088973 -0.178592 0.012401 0.484681 0.381393 -0.718371 9C 3py 0.249548 0.283878 0.513832 -0.896209 0.959898 -0.997552 9C 1dz2 -0.003147 0.004715 -0.002522 -0.002312 -0.001389 0.000973 9C 1dxz -0.002917 0.001814 -0.001375 -0.004054 0.002068 0.001679 9C 1dyz -0.002171 -0.001461 0.001555 0.004284 -0.002667 0.003559 9C 1dx2y2 -0.002458 0.002352 -0.001321 -0.002061 0.000471 -0.003203 9C 1dxy -0.001673 0.001125 -0.001302 0.000572 -0.000728 0.001373 9C 2dz2 -0.242755 -0.049960 0.275539 -0.179403 0.095251 -0.115621 9C 2dxz -0.036654 -0.114308 0.043326 -0.022860 -0.431729 0.092483 9C 2dyz 0.124683 0.099854 -0.192647 0.078936 0.013090 0.128748 9C 2dx2y2 0.008070 -0.070534 0.119947 -0.264399 0.064146 -0.022980 9C 2dxy 0.060610 0.083938 0.086217 -0.087504 -0.199404 0.007352 9C 1f0 0.007399 0.009349 -0.010678 0.005350 -0.008562 0.000900 9C 1f+1 -0.004258 0.000205 -0.001116 -0.003075 0.003966 -0.001899 9C 1f-1 0.008630 -0.002177 -0.001002 -0.003519 0.008419 -0.009143 9C 1f+2 -0.006349 0.006567 -0.006355 0.001172 0.004172 0.005409 9C 1f-2 0.006035 0.003222 -0.002264 0.000346 0.012884 -0.007982 9C 1f+3 -0.000872 0.003138 -0.000226 0.003904 0.003976 0.001282 9C 1f-3 -0.001486 -0.007104 0.005953 -0.000089 -0.009309 0.001911 10H 1s 0.016740 -0.001658 0.003820 -0.015626 0.011343 0.016279 10H 2s 0.432445 -0.078206 0.106246 -0.185127 -0.333357 0.151280 10H 3s 0.039608 -0.139835 0.082510 -0.042584 0.435115 0.406291 10H 1pz -0.003739 0.001249 0.000702 0.004144 -0.018818 -0.001163 10H 1px -0.029095 0.007932 -0.002793 0.016675 0.041696 -0.005476 10H 1py 0.003947 -0.002862 0.003861 0.018425 -0.013470 -0.000573 11H 1s 0.012155 -0.006163 0.009636 0.009284 0.008058 0.004410 11H 2s -0.338120 0.181197 0.034212 0.038274 0.506952 0.164022 11H 3s 0.011852 0.068278 0.344823 0.348443 0.562193 0.170401 11H 1pz -0.041252 0.009583 -0.017493 -0.015843 0.010621 0.001358 11H 1px -0.018249 0.019730 -0.006633 -0.000338 0.036758 0.007330 11H 1py 0.004601 0.000788 -0.009430 -0.005350 0.001383 -0.001757 12H 1s 0.002669 -0.000542 -0.001811 -0.004268 0.001997 -0.002501 12H 2s 0.051759 -0.055565 -0.015519 0.220913 0.380942 0.101347 12H 3s -0.292870 -0.089570 -0.082404 0.017850 0.393031 0.028396 12H 1pz -0.000324 -0.001401 0.016903 0.010968 0.004462 0.014100 12H 1px -0.010916 -0.009907 0.001109 0.008520 0.018640 0.001417 12H 1py 0.012418 -0.001129 0.005578 0.024253 0.015669 0.013258 13H 1s -0.012934 -0.002318 -0.004796 -0.010958 -0.007473 0.015226 13H 2s -0.098190 -0.267893 -0.227981 -0.043522 0.259833 -0.133328 13H 3s -0.057200 -0.031460 -0.062345 0.169615 -0.332381 0.461924 13H 1pz 0.014144 -0.020051 -0.013899 -0.004579 0.027728 -0.025812 13H 1px 0.012156 0.018673 0.005903 0.004616 -0.024937 0.008665 13H 1py -0.012479 -0.001988 0.000004 -0.014377 0.001292 0.001585 14H 1s -0.011920 -0.008165 -0.000440 0.007114 -0.002234 0.000049 14H 2s -0.021300 0.045144 -0.014998 -0.147112 -0.222434 0.056640 14H 3s -0.010669 -0.061737 -0.019854 0.338105 -0.431591 0.281700 14H 1pz 0.010862 0.008036 -0.006867 -0.018947 0.001630 -0.002573 14H 1px 0.005402 0.003850 -0.005068 -0.010759 -0.014399 -0.002345 14H 1py -0.020205 -0.009100 0.013681 -0.005782 0.003760 0.000129 15H 1s 0.006042 -0.002820 -0.011805 -0.002364 -0.010924 -0.002618 15H 2s 0.136231 0.366591 0.105505 0.395913 -0.385678 0.421875 15H 3s 0.367030 0.374995 -0.348492 -0.025631 -0.415415 0.208375 15H 1pz -0.016577 -0.019451 0.000157 -0.007005 0.013303 -0.013399 15H 1px -0.009580 0.022092 0.013924 0.004027 -0.018811 0.021964 15H 1py 0.002609 -0.018810 -0.027602 -0.037519 0.005199 -0.023595 16H 1s -0.015896 -0.004155 -0.003867 -0.008838 0.015977 0.015938 16H 2s -0.233510 -0.193104 -0.006874 -0.136202 -0.076416 0.235324 16H 3s 0.055633 -0.120015 0.030989 -0.079190 0.032775 0.097754 16H 1pz 0.003100 -0.002261 0.008713 -0.008365 -0.006840 -0.017936 16H 1px -0.013373 0.008185 0.004267 -0.013264 0.038005 0.010312 16H 1py -0.013792 -0.019372 -0.008144 -0.001344 -0.000738 0.036623 17H 1s -0.005735 0.001560 0.006823 -0.011787 -0.020106 0.003053 17H 2s -0.233534 -0.110263 -0.022096 -0.096758 -0.127257 0.250804 17H 3s -0.063419 -0.077686 -0.153683 0.078812 -0.032170 0.273739 17H 1pz 0.002482 0.000773 -0.000816 -0.010345 0.004114 -0.001900 17H 1px -0.000425 0.005706 0.008676 -0.019086 -0.023022 0.003622 17H 1py -0.010938 -0.011238 -0.004253 -0.014732 -0.010774 0.030424 18H 1s -0.004227 0.000335 0.007795 0.010249 -0.020158 -0.002445 18H 2s -0.149098 -0.123823 -0.014634 0.073703 -0.132168 -0.256334 18H 3s 0.162354 -0.078902 -0.162022 -0.063085 -0.036871 -0.266888 18H 1pz 0.003960 -0.001068 0.000318 -0.009888 -0.004141 -0.001343 18H 1px -0.001283 -0.005668 -0.010237 -0.017967 0.023602 0.000698 18H 1py 0.019701 0.012219 0.003312 -0.013231 0.012235 0.030286 19H 1s -0.000108 -0.005275 -0.003610 0.007917 0.015694 -0.016688 19H 2s -0.181075 -0.203340 0.001160 0.112378 -0.075924 -0.229942 19H 3s -0.019853 -0.131582 0.036452 0.076604 0.037150 -0.110085 19H 1pz 0.008100 0.001054 -0.009509 -0.007575 0.005560 -0.019259 19H 1px -0.004440 -0.007717 -0.005012 -0.012111 -0.037404 0.013186 19H 1py 0.016833 0.020778 0.007839 -0.000598 0.001066 0.036716 20H 1s -0.004936 -0.002056 -0.011612 0.002729 -0.010541 0.001846 20H 2s -0.154405 0.368922 0.081034 -0.412341 -0.382607 -0.425453 20H 3s -0.415339 0.395969 -0.344444 0.022278 -0.412102 -0.247803 20H 1pz -0.016434 0.019421 -0.000829 -0.007475 -0.013040 -0.013116 20H 1px -0.007225 -0.022292 -0.013944 0.005721 0.018769 0.022069 20H 1py 0.003708 0.017537 0.025104 -0.038789 -0.005443 -0.022070 21H 1s 0.011132 -0.007517 -0.000531 -0.007138 -0.002394 -0.000879 21H 2s 0.086310 0.056409 -0.003305 0.143405 -0.224715 -0.096192 21H 3s -0.030322 -0.045648 -0.032598 -0.347137 -0.439223 -0.301707 21H 1pz 0.004574 -0.008336 0.005787 -0.019534 -0.002158 -0.001993 21H 1px -0.000825 -0.003846 0.004646 -0.011055 0.014431 -0.000507 21H 1py -0.019010 0.008657 -0.014459 -0.005170 -0.002803 0.000188 22H 1s 0.011013 -0.002023 -0.003672 0.010681 -0.007699 -0.016288 22H 2s 0.206095 -0.263942 -0.220857 0.067506 0.266719 0.144328 22H 3s 0.070407 -0.022653 -0.066828 -0.180211 -0.329408 -0.493595 22H 1pz 0.002255 0.019874 0.013742 -0.006898 -0.028097 -0.026761 22H 1px 0.018996 -0.019396 -0.005546 0.006004 0.025267 0.010257 22H 1py -0.010535 0.002272 -0.000991 -0.014163 -0.000787 0.002452 23H 1s 0.000355 0.000287 -0.001844 0.004844 0.002095 0.002435 23H 2s -0.014449 -0.047296 -0.024152 -0.217639 0.380024 -0.114759 23H 3s 0.202779 -0.075046 -0.085523 -0.008387 0.378384 -0.062404 23H 1pz 0.001263 0.002005 -0.016017 0.012360 -0.004130 0.014582 23H 1px -0.007195 0.010252 -0.001025 0.008538 -0.018578 0.002704 23H 1py 0.007932 0.001408 -0.004576 0.024938 -0.016115 0.013365 24H 1s -0.008397 -0.005340 0.008728 -0.009597 0.007908 -0.004823 24H 2s 0.263038 0.183097 0.035113 -0.039637 0.482029 -0.197960 24H 3s -0.091870 0.078591 0.312468 -0.371871 0.546036 -0.191301 24H 1pz -0.034598 -0.008602 0.015817 -0.016976 -0.009491 0.002478 24H 1px -0.012456 -0.019464 0.006236 -0.000623 -0.035180 0.008686 24H 1py 0.003689 -0.001096 0.009152 -0.005937 -0.001966 -0.002118 25H 1s -0.012565 -0.001259 0.004737 0.015657 0.010832 -0.016846 25H 2s -0.163471 -0.066263 0.106036 0.195224 -0.325344 -0.130298 25H 3s 0.058386 -0.134821 0.086230 0.045853 0.410878 -0.431172 25H 1pz -0.010991 -0.001630 -0.000133 0.003437 0.019181 -0.002246 25H 1px -0.007852 -0.007707 0.003251 0.017353 -0.040376 -0.003194 25H 1py -0.001323 0.002632 -0.002533 0.018590 0.012008 -0.001309 26O 1s -0.006385 -0.002470 0.004053 0.004049 0.008539 -0.009925 26O 2s -0.013780 -0.005077 0.008990 0.007685 0.019531 -0.018967 26O 3s -0.007491 -0.009746 -0.000867 0.023181 -0.016868 -0.049953 26O 4s 0.369105 0.106221 -0.161173 -0.330824 -0.150135 0.695899 26O 5s -2.531977 0.017290 0.570488 1.837712 0.545622 -2.738944 26O 1pz -0.013579 -0.033338 -0.016671 0.043695 0.005134 -0.015388 26O 1px -0.022146 0.019069 -0.004743 0.039157 0.031449 0.041946 26O 1py -0.043318 0.055645 -0.005398 0.004316 0.016070 -0.006509 26O 2pz -0.046075 -0.108151 -0.034500 0.030628 -0.089411 -0.007656 26O 2px 0.024954 -0.001347 -0.041111 -0.007873 -0.038236 0.238892 26O 2py -0.030807 0.160573 -0.029324 -0.019541 -0.042850 0.055725 26O 3pz 0.505914 0.367432 0.133430 0.011194 0.700482 0.255229 26O 3px 1.042660 -0.193452 -0.267514 -0.805013 0.079992 0.677340 26O 3py 0.395643 -0.864704 0.022836 -0.451539 0.317683 0.324545 26O 1dz2 -0.003716 0.001987 0.005176 0.000943 -0.001525 -0.003700 26O 1dxz 0.004201 0.003030 0.003056 -0.001986 0.000623 -0.000040 26O 1dyz -0.000495 0.000693 -0.002368 0.001036 0.002230 0.002195 26O 1dx2y2 0.001590 0.002039 0.000951 -0.003353 0.000968 0.006490 26O 1dxy 0.000227 -0.007142 -0.001788 -0.003702 0.003254 0.004395 26O 2dz2 -0.010783 -0.046845 0.016136 -0.026648 -0.029180 0.043046 26O 2dxz -0.014683 -0.014031 0.014615 0.001518 0.013989 0.010154 26O 2dyz -0.028771 0.032869 -0.009447 0.015206 -0.003101 0.023875 26O 2dx2y2 -0.036129 -0.007416 0.027846 0.025926 0.007936 -0.023057 26O 2dxy -0.051887 -0.001735 0.004798 0.025360 0.028112 -0.013461 26O 1f0 -0.000177 -0.002139 0.000753 0.001379 0.001427 0.000806 26O 1f+1 -0.001358 -0.000275 0.000030 0.002035 0.001365 -0.002515 26O 1f-1 0.000859 0.000724 0.000195 -0.000401 0.001238 0.001421 26O 1f+2 -0.000057 0.000805 -0.000561 0.000637 -0.002210 -0.000524 26O 1f-2 0.001423 0.001035 0.000595 -0.001562 -0.000216 0.000318 26O 1f+3 -0.001458 -0.002212 0.001550 0.001130 -0.000655 -0.000918 26O 1f-3 -0.004144 0.001691 0.000377 0.001151 0.001149 -0.003431 27O 1s -0.003419 0.003745 0.001016 0.004443 -0.001125 -0.009818 27O 2s -0.007312 0.008638 0.002547 0.008555 -0.002518 -0.018607 27O 3s 0.001208 -0.010627 -0.009078 0.022979 0.004495 -0.058718 27O 4s 0.088089 -0.085009 0.005236 -0.343714 -0.029352 0.709413 27O 5s 0.251341 0.723921 0.282010 2.245797 -0.133829 -2.269955 27O 1pz -0.012737 0.034915 0.000671 0.027717 -0.011614 -0.003043 27O 1px 0.029511 0.059364 -0.004207 0.051738 -0.025389 0.061846 27O 1py -0.047279 0.030822 0.021190 -0.016105 0.014470 0.011485 27O 2pz 0.009149 0.102656 0.014296 0.016134 0.023153 -0.031473 27O 2px 0.127933 0.052235 -0.037983 -0.013797 -0.009434 0.202911 27O 2py -0.137231 0.149758 0.071781 0.018539 -0.046501 0.033235 27O 3pz -0.458305 -0.414683 -0.131108 0.232127 -0.483546 0.140761 27O 3px -0.382500 -0.707770 -0.211378 -1.055451 -0.083288 0.241328 27O 3py 0.486682 -0.567763 -0.224421 0.189652 0.365446 -0.394417 27O 1dz2 -0.000161 0.001087 0.004382 0.000221 0.004902 -0.003084 27O 1dxz -0.003467 -0.003904 0.001531 -0.000697 -0.000958 -0.002831 27O 1dyz -0.002726 0.000435 -0.002175 -0.001240 -0.000265 0.000875 27O 1dx2y2 -0.001370 -0.004871 0.001601 -0.005471 -0.001567 0.003334 27O 1dxy -0.000754 -0.003298 -0.000575 0.003606 0.002346 -0.000541 27O 2dz2 -0.010649 0.007285 0.016634 -0.042158 -0.004708 0.003462 27O 2dxz -0.006925 0.001242 0.017624 -0.004923 -0.005549 0.019945 27O 2dyz -0.031320 -0.016729 -0.022721 -0.014582 -0.008799 -0.020350 27O 2dx2y2 -0.015817 0.040744 0.029968 0.022499 -0.021716 -0.018672 27O 2dxy -0.010192 -0.019831 -0.001101 -0.019776 0.022487 -0.021552 27O 1f0 0.000797 0.001027 0.000755 0.000683 -0.000090 -0.000742 27O 1f+1 -0.001200 0.001517 0.000642 0.002802 -0.000968 -0.001092 27O 1f-1 0.000494 -0.000119 -0.000645 -0.001315 0.000650 -0.000643 27O 1f+2 0.000847 -0.001299 -0.000890 -0.000044 -0.000115 -0.003633 27O 1f-2 0.001996 0.000008 0.000346 0.000848 0.001086 -0.001008 27O 1f+3 -0.001302 0.001257 0.001735 0.000071 -0.000198 -0.000746 27O 1f-3 0.000347 0.000541 0.000795 -0.001296 0.000782 0.000716 28O 1s -0.001763 0.002255 -0.002560 -0.005282 -0.002669 0.006521 28O 2s -0.005842 0.005618 -0.006073 -0.009058 -0.006459 0.011955 28O 3s 0.041075 -0.014456 0.008273 -0.046604 0.006476 0.047593 28O 4s -0.075734 -0.061259 0.033452 0.430306 -0.045111 -0.504047 28O 5s -1.013303 0.718011 0.004053 -1.132676 2.094058 1.930410 28O 1pz -0.040235 -0.014463 0.012809 0.064812 0.081971 0.001391 28O 1px 0.087738 -0.041956 -0.009304 -0.035086 0.018742 0.004989 28O 1py -0.037921 0.033526 0.008964 -0.024319 0.066988 -0.013262 28O 2pz 0.049197 -0.077775 0.047969 0.179837 0.169951 -0.081289 28O 2px 0.106385 -0.044243 -0.027594 -0.107975 0.108896 0.057366 28O 2py -0.016258 0.119420 0.006793 -0.032173 0.186077 -0.066539 28O 3pz 0.364313 -0.265424 -0.288711 -0.248117 -1.877589 -0.094772 28O 3px -1.313337 0.761728 0.006116 0.119789 0.588788 0.475456 28O 3py -0.251484 -0.781092 0.162068 -0.123187 -1.068649 0.243463 28O 1dz2 -0.000682 0.000484 -0.000000 0.000915 -0.002018 -0.001045 28O 1dxz -0.004059 0.004149 0.002600 -0.001754 0.009655 0.003206 28O 1dyz 0.000036 -0.002229 -0.000019 0.000498 -0.002040 0.001611 28O 1dx2y2 0.002137 -0.005668 0.002442 0.000656 -0.001674 -0.001396 28O 1dxy 0.000993 0.004477 -0.002270 0.002068 0.006408 -0.000007 28O 2dz2 -0.023826 -0.021439 0.032254 0.032616 0.019160 0.000677 28O 2dxz 0.070623 -0.035850 0.015815 0.000284 -0.032570 -0.005009 28O 2dyz -0.038229 0.025883 -0.020449 0.026153 0.040119 -0.003681 28O 2dx2y2 -0.032633 -0.002882 0.019195 0.011388 0.002498 0.023474 28O 2dxy 0.014058 0.002196 0.004113 0.010946 0.002722 0.010837 28O 1f0 -0.001011 0.001367 0.000039 0.000954 0.000289 -0.000195 28O 1f+1 -0.001178 -0.000786 0.002183 -0.000092 0.000566 0.002075 28O 1f-1 -0.001371 -0.000336 0.000366 0.001107 -0.002912 -0.001470 28O 1f+2 0.004799 -0.001183 0.001263 0.000075 -0.000565 0.000560 28O 1f-2 -0.001378 0.001627 -0.001733 0.000271 0.000943 0.000460 28O 1f+3 0.002397 -0.000961 -0.000259 0.000401 -0.001476 0.000400 28O 1f-3 -0.000673 0.001414 -0.002032 -0.001427 0.000661 -0.000927 29O 1s 0.007482 0.007632 0.001371 -0.001995 0.002717 0.001531 29O 2s 0.015244 0.018215 0.003401 -0.005612 0.006027 0.005806 29O 3s 0.026685 -0.020414 -0.005423 0.018839 0.002186 -0.039526 29O 4s -0.442306 -0.210192 -0.029414 -0.007673 -0.134153 0.145507 29O 5s 1.021896 0.392390 0.050017 -0.070807 0.334593 -0.303585 29O 1pz -0.021494 -0.014269 -0.012604 0.024361 -0.009175 -0.004998 29O 1px 0.031039 0.056769 -0.000702 0.000006 0.017269 0.037424 29O 1py -0.009114 0.018851 0.011219 0.000931 0.007167 -0.025428 29O 2pz -0.049616 -0.019158 -0.018061 0.014086 -0.027569 0.003397 29O 2px 0.082739 0.103965 -0.004064 0.029470 0.027622 -0.006301 29O 2py -0.008545 0.022366 0.021592 0.009203 0.029919 -0.052890 29O 3pz 0.100009 -0.112146 0.064152 -0.064425 0.019666 0.089217 29O 3px -0.164626 -0.156009 0.059094 0.076513 -0.046665 -0.233766 29O 3py -0.282656 -0.159734 -0.074607 -0.113896 -0.283344 0.320067 29O 1dz2 -0.001802 -0.001673 0.000314 -0.002165 0.000800 0.001545 29O 1dxz -0.001393 -0.000864 -0.000658 0.001068 -0.002622 0.001379 29O 1dyz 0.000597 -0.000997 0.000085 -0.000655 0.001312 0.000322 29O 1dx2y2 0.000037 -0.000347 -0.000008 0.000532 -0.000093 0.000907 29O 1dxy -0.000188 0.000437 0.000343 0.000250 -0.000973 -0.002620 29O 2dz2 -0.015441 -0.006574 -0.018970 0.010662 0.004702 0.013124 29O 2dxz 0.010607 -0.006112 0.004701 0.007424 -0.032658 -0.036980 29O 2dyz 0.003445 0.004935 0.006401 -0.002237 0.001357 -0.009935 29O 2dx2y2 -0.010668 0.001382 -0.000701 -0.036833 -0.012248 0.054610 29O 2dxy 0.004284 -0.002517 -0.006933 0.005312 -0.002145 0.017971 29O 1f0 -0.000527 -0.001384 -0.000420 0.000411 -0.000613 0.000025 29O 1f+1 0.000795 0.000794 0.000870 -0.000839 -0.000720 -0.001075 29O 1f-1 -0.000004 -0.000156 0.000727 0.000099 -0.001391 -0.000986 29O 1f+2 -0.000369 0.001059 -0.000145 0.000212 0.000798 0.001036 29O 1f-2 -0.000170 -0.000589 -0.000980 0.000990 0.001610 0.001596 29O 1f+3 0.000163 0.001356 0.000027 -0.001365 -0.000766 0.000520 29O 1f-3 0.001058 0.000538 0.000121 -0.000483 0.000685 0.000506 30O 1s -0.000471 -0.000020 -0.001459 -0.004075 -0.005686 0.009523 30O 2s -0.000003 -0.000048 -0.002884 -0.006489 -0.012530 0.018283 30O 3s -0.017904 -0.003517 -0.008351 -0.044016 0.000835 0.050916 30O 4s 0.133261 -0.079176 0.079848 0.385707 0.281440 -0.691487 30O 5s -0.513357 1.633355 0.160699 -0.831015 -2.260383 3.366773 30O 1pz -0.001535 0.088559 0.040235 0.044273 -0.014496 0.034202 30O 1px -0.052481 -0.008587 -0.006391 -0.046349 -0.034591 0.022521 30O 1py -0.059500 -0.024989 -0.022017 -0.020504 0.072771 -0.021045 30O 2pz -0.016795 0.191688 0.090745 0.113363 0.013689 -0.013403 30O 2px -0.128872 0.068521 0.017935 -0.131090 -0.168227 0.160352 30O 2py -0.057619 -0.004281 -0.009152 -0.069741 0.143549 0.042673 30O 3pz 0.145852 -1.451083 -0.620721 0.026147 0.697340 -0.725563 30O 3px 0.397916 0.479119 -0.040945 0.188203 -0.195551 0.575078 30O 3py -0.273040 0.815532 0.045010 0.161412 -1.297983 0.878334 30O 1dz2 0.002189 -0.003372 -0.001427 -0.000284 -0.002357 0.000826 30O 1dxz -0.000591 0.007992 0.004242 -0.003705 -0.002510 0.004949 30O 1dyz -0.002216 0.004914 -0.000345 -0.002613 -0.001272 0.003299 30O 1dx2y2 0.000395 -0.000875 0.002171 0.002370 -0.003626 0.000266 30O 1dxy 0.001032 -0.005063 0.001418 -0.001161 0.007125 -0.008108 30O 2dz2 -0.010193 -0.001658 0.036612 -0.004381 0.018522 -0.006020 30O 2dxz -0.007330 -0.009439 0.008777 0.000407 0.052112 -0.021730 30O 2dyz -0.017234 -0.051439 -0.030871 -0.049434 0.025922 -0.019768 30O 2dx2y2 0.000525 0.011531 0.026737 -0.010222 0.028880 0.024856 30O 2dxy 0.009030 0.022681 0.012186 -0.018134 -0.010503 0.013134 30O 1f0 -0.001477 0.002258 0.000657 -0.000999 -0.003237 0.002996 30O 1f+1 -0.001814 0.001036 0.003345 -0.000514 0.000493 0.000377 30O 1f-1 0.000436 0.001091 0.000363 -0.000780 -0.000515 0.001035 30O 1f+2 0.000064 -0.000435 -0.000670 -0.000645 -0.000938 0.002027 30O 1f-2 -0.000052 -0.000947 -0.001772 -0.000957 0.001923 -0.001263 30O 1f+3 0.001084 -0.000761 -0.001691 0.001152 -0.001415 -0.000070 30O 1f-3 -0.000957 -0.000360 0.000793 0.001455 0.002431 0.000016 31O 1s -0.006336 0.000384 -0.001093 0.003769 -0.006220 -0.009256 31O 2s -0.015592 0.000881 -0.002277 0.005799 -0.013618 -0.017700 31O 3s 0.032190 -0.003913 -0.004728 0.044578 -0.000688 -0.050632 31O 4s 0.126089 -0.090043 0.047241 -0.367901 0.309705 0.684263 31O 5s -0.972093 1.633042 0.236942 0.673787 -2.340255 -3.384889 31O 1pz -0.000019 -0.086579 -0.037500 0.047346 0.014968 0.034497 31O 1px -0.048272 0.007456 0.002565 -0.045364 0.036302 0.023139 31O 1py -0.049185 0.025709 0.019994 -0.023925 -0.071165 -0.025091 31O 2pz -0.057576 -0.189776 -0.083475 0.118333 -0.016073 -0.012581 31O 2px -0.039613 -0.071693 -0.028716 -0.120053 0.176210 0.163052 31O 2py 0.014494 0.008313 0.003741 -0.073083 -0.135577 0.030288 31O 3pz -0.261579 1.444866 0.624853 -0.063345 -0.703651 -0.754892 31O 3px 0.988183 -0.449828 0.058156 0.221159 0.203001 0.589331 31O 3py 0.101945 -0.823906 -0.040727 0.238661 1.291498 0.973912 31O 1dz2 -0.003874 -0.003455 -0.001444 0.000231 -0.002428 -0.000594 31O 1dxz -0.001692 0.007886 0.004501 0.003182 -0.002654 -0.005065 31O 1dyz -0.000350 0.004805 -0.000155 0.002337 -0.001443 -0.003737 31O 1dx2y2 0.001258 -0.000789 0.002000 -0.002502 -0.003523 -0.000069 31O 1dxy 0.001274 -0.004980 0.001442 0.001500 0.007162 0.008515 31O 2dz2 0.008617 -0.001623 0.037025 0.002224 0.017333 0.007535 31O 2dxz 0.040349 -0.008819 0.008962 0.001171 0.052409 0.021697 31O 2dyz 0.043503 -0.051413 -0.027443 0.053558 0.025291 0.020152 31O 2dx2y2 -0.004682 0.011914 0.027805 0.008642 0.027542 -0.024360 31O 2dxy -0.048055 0.022079 0.013093 0.015063 -0.011859 -0.014254 31O 1f0 0.001704 -0.002260 -0.000740 -0.000705 0.003315 0.003085 31O 1f+1 -0.001207 -0.001029 -0.003399 -0.000298 -0.000399 0.000327 31O 1f-1 -0.000022 -0.001125 -0.000424 -0.000755 0.000503 0.000933 31O 1f+2 -0.002358 0.000400 0.000600 -0.000761 0.000893 0.002024 31O 1f-2 -0.003754 0.000960 0.001689 -0.001280 -0.002000 -0.001285 31O 1f+3 0.001005 0.000756 0.001774 0.001041 0.001394 -0.000092 31O 1f-3 -0.004691 0.000369 -0.000744 0.001254 -0.002483 0.000036 32O 1s 0.004471 0.007788 0.001541 0.002462 0.002642 -0.001786 32O 2s 0.007974 0.018633 0.003882 0.006418 0.005738 -0.006439 32O 3s 0.033496 -0.021633 -0.007086 -0.014718 0.004319 0.040504 32O 4s -0.357883 -0.211215 -0.028639 -0.033534 -0.140687 -0.140980 32O 5s 0.847523 0.393263 0.056044 0.172919 0.342705 0.303687 32O 1pz -0.013134 0.014852 0.014804 0.023671 0.009583 -0.006342 32O 1px -0.005438 -0.059721 0.000530 -0.001814 -0.015665 0.039665 32O 1py -0.010913 -0.019830 -0.010994 0.001597 -0.007028 -0.025004 32O 2pz -0.003893 0.018755 0.019680 0.014675 0.029176 0.001220 32O 2px -0.073223 -0.108047 0.006669 0.021679 -0.027605 -0.002805 32O 2py 0.016956 -0.025220 -0.020854 0.011384 -0.029729 -0.052486 32O 3pz 0.028049 0.115717 -0.070865 -0.061875 -0.031051 0.072569 32O 3px 0.273975 0.145945 -0.056556 0.099520 0.043795 -0.249708 32O 3py 0.015605 0.179209 0.065186 -0.097356 0.286511 0.320277 32O 1dz2 -0.002108 -0.001792 0.000396 0.001878 0.000836 -0.001686 32O 1dxz -0.000039 -0.000964 -0.000724 -0.001115 -0.002676 -0.001231 32O 1dyz -0.001155 -0.001062 0.000115 0.000681 0.001347 -0.000325 32O 1dx2y2 -0.000988 -0.000258 -0.000032 -0.000566 -0.000170 -0.000836 32O 1dxy 0.002028 0.000503 0.000325 -0.000185 -0.001055 0.002664 32O 2dz2 0.009725 -0.007858 -0.019868 -0.010361 0.002868 -0.014308 32O 2dxz 0.001299 -0.006145 0.004094 -0.007371 -0.031389 0.039533 32O 2dyz 0.000618 0.004515 0.006034 0.002287 0.001272 0.008504 32O 2dx2y2 -0.022912 0.000779 0.002364 0.034778 -0.014495 -0.054280 32O 2dxy -0.008185 -0.002871 -0.007289 -0.004252 -0.002640 -0.018952 32O 1f0 0.001054 0.001380 0.000469 0.000444 0.000560 0.000055 32O 1f+1 -0.000349 -0.000864 -0.000947 -0.000858 0.000681 -0.001156 32O 1f-1 0.000921 0.000150 -0.000695 0.000233 0.001298 -0.000958 32O 1f+2 -0.000926 -0.001049 0.000159 0.000166 -0.000789 0.001149 32O 1f-2 0.000757 0.000578 0.001053 0.000963 -0.001598 0.001656 32O 1f+3 0.000269 -0.001306 -0.000094 -0.001262 0.000799 0.000561 32O 1f-3 0.000849 -0.000560 -0.000167 -0.000548 -0.000662 0.000534 33O 1s -0.002072 0.002470 -0.002138 0.005191 -0.003105 -0.005907 33O 2s -0.003034 0.006082 -0.005305 0.008855 -0.007335 -0.010610 33O 3s -0.027948 -0.014110 0.011226 0.047010 0.004655 -0.046934 33O 4s 0.236663 -0.067697 0.003298 -0.423118 -0.016242 0.481673 33O 5s -0.489262 0.685030 0.094759 1.048683 1.953123 -1.949802 33O 1pz -0.030171 0.016163 -0.008984 0.066435 -0.080627 0.009242 33O 1px 0.069763 0.040682 0.008079 -0.036642 -0.018983 0.003887 33O 1py -0.019594 -0.033547 -0.011130 -0.023700 -0.065091 -0.010887 33O 2pz -0.022044 0.079417 -0.035441 0.178546 -0.169161 -0.063488 33O 2px 0.147018 0.042331 0.021639 -0.106507 -0.104299 0.057233 33O 2py -0.000876 -0.120751 -0.009348 -0.033449 -0.182492 -0.061855 33O 3pz -0.046187 0.242702 0.274667 -0.290536 1.825089 -0.214774 33O 3px -0.418798 -0.730755 -0.009084 0.170506 -0.566560 0.508612 33O 3py -0.282601 0.789032 -0.167301 -0.105352 1.053380 0.198653 33O 1dz2 0.000169 0.000458 -0.000022 -0.000798 -0.001972 0.001511 33O 1dxz 0.000631 0.003996 0.002749 0.001396 0.009263 -0.003608 33O 1dyz 0.000631 -0.002297 -0.000047 -0.000584 -0.002077 -0.001833 33O 1dx2y2 0.001174 -0.005584 0.002397 -0.000555 -0.001679 0.001615 33O 1dxy -0.000167 0.004507 -0.002332 -0.001757 0.006275 -0.000079 33O 2dz2 0.009799 -0.022359 0.030484 -0.035587 0.018699 -0.002156 33O 2dxz -0.011529 -0.034193 0.015567 0.002179 -0.032031 0.005435 33O 2dyz 0.028993 0.025237 -0.021718 -0.025334 0.038981 0.002783 33O 2dx2y2 0.005584 -0.003780 0.018847 -0.014616 0.001177 -0.025794 33O 2dxy 0.002865 0.002476 0.003612 -0.010067 0.002104 -0.009169 33O 1f0 0.001335 -0.001313 0.000051 0.001147 -0.000359 -0.000149 33O 1f+1 0.000178 0.000804 -0.002206 0.000164 -0.000510 0.002154 33O 1f-1 -0.001614 0.000294 -0.000284 0.001145 0.002759 -0.001610 33O 1f+2 0.000143 0.001100 -0.001247 -0.000125 0.000546 0.000544 33O 1f-2 -0.001705 -0.001632 0.001702 0.000114 -0.000905 0.000434 33O 1f+3 -0.000817 0.000894 0.000281 0.000221 0.001403 0.000347 33O 1f-3 -0.000183 -0.001422 0.001930 -0.001580 -0.000630 -0.000995 34O 1s 0.000713 0.003433 0.000593 -0.004892 -0.000919 0.009218 34O 2s 0.000825 0.007956 0.001727 -0.009607 -0.002088 0.017273 34O 3s 0.013655 -0.011040 -0.011200 -0.021247 0.005078 0.059030 34O 4s 0.004608 -0.073265 0.036577 0.352850 -0.039153 -0.690088 34O 5s -1.170346 0.722060 0.101426 -2.304441 -0.109433 2.234085 34O 1pz -0.007712 -0.033318 0.000965 0.026341 0.012176 -0.005960 34O 1px 0.034747 -0.060353 0.007097 0.051597 0.024059 0.060516 34O 1py -0.031734 -0.030174 -0.022895 -0.013548 -0.013774 0.012616 34O 2pz 0.005874 -0.098499 -0.012704 0.011924 -0.021422 -0.040705 34O 2px 0.053894 -0.053462 0.035068 -0.021876 0.008448 0.194051 34O 2py -0.072525 -0.151064 -0.071714 0.029780 0.045386 0.036265 34O 3pz -0.257825 0.397559 0.138546 0.258608 0.478245 0.192294 34O 3px -1.034631 0.741790 0.137265 -1.093691 0.096813 0.259430 34O 3py 0.315280 0.578158 0.241586 0.139418 -0.353800 -0.413707 34O 1dz2 -0.001562 0.001210 0.004319 -0.000524 0.004935 0.002938 34O 1dxz 0.002028 -0.003822 0.001609 0.000451 -0.000940 0.002326 34O 1dyz 0.001009 0.000488 -0.002063 0.001233 -0.000322 -0.000796 34O 1dx2y2 0.003894 -0.005057 0.001977 0.005503 -0.001581 -0.003446 34O 1dxy 0.001329 -0.003339 -0.000806 -0.003375 0.002316 0.000344 34O 2dz2 0.039661 0.007173 0.019534 0.042797 -0.005210 0.000624 34O 2dxz 0.005403 0.001565 0.018194 0.003754 -0.006151 -0.020082 34O 2dyz 0.019032 -0.016164 -0.021473 0.014624 -0.009293 0.018935 34O 2dx2y2 -0.024337 0.041991 0.028151 -0.026950 -0.021174 0.019497 34O 2dxy 0.032319 -0.020667 0.000188 0.021158 0.022570 0.021103 34O 1f0 -0.000345 -0.000994 -0.000689 0.000640 0.000118 -0.000946 34O 1f+1 0.002083 -0.001516 -0.000438 0.003001 0.000983 -0.001176 34O 1f-1 0.000385 0.000118 0.000566 -0.001351 -0.000646 -0.000533 34O 1f+2 0.002259 0.001297 0.000930 -0.000064 0.000116 -0.003587 34O 1f-2 0.001083 0.000005 -0.000262 0.000771 -0.001113 -0.001150 34O 1f+3 0.003021 -0.001316 -0.001697 0.000445 0.000215 -0.000689 34O 1f-3 -0.000608 -0.000519 -0.000891 -0.001295 -0.000708 0.000476 35O 1s -0.000838 -0.002697 0.003553 -0.004660 0.008873 0.008966 35O 2s -0.002347 -0.005622 0.007994 -0.009059 0.020152 0.016811 35O 3s 0.014688 -0.009113 -0.002865 -0.022420 -0.014607 0.050898 35O 4s -0.067665 0.109951 -0.128129 0.355252 -0.174136 -0.664763 35O 5s 0.769091 0.025015 0.429182 -1.972131 0.601405 2.612362 35O 1pz -0.021846 0.033388 0.019869 0.042492 -0.005923 -0.016250 35O 1px -0.020803 -0.018283 0.006689 0.039179 -0.028011 0.042337 35O 1py -0.024894 -0.056107 0.005294 0.004942 -0.014738 -0.008234 35O 2pz -0.079299 0.108639 0.037393 0.027853 0.085220 -0.011406 35O 2px -0.073067 0.003033 0.037514 -0.016063 0.046449 0.229354 35O 2py -0.048025 -0.162125 0.026619 -0.022385 0.044132 0.046290 35O 3pz 0.564534 -0.365059 -0.133239 0.015616 -0.676735 0.272868 35O 3px 0.253487 0.207738 0.213848 -0.867606 -0.101860 0.648900 35O 3py 0.071183 0.882145 -0.053407 -0.478757 -0.300080 0.352558 35O 1dz2 0.002193 0.002087 0.005066 -0.001443 -0.001506 0.003476 35O 1dxz -0.004718 0.003023 0.003106 0.001699 0.000715 0.000069 35O 1dyz 0.000711 0.000656 -0.002383 -0.000873 0.002311 -0.002193 35O 1dx2y2 0.000810 0.001897 0.001225 0.003293 0.000994 -0.006266 35O 1dxy 0.001557 -0.007344 -0.001447 0.004077 0.003111 -0.004372 35O 2dz2 0.034561 -0.047762 0.018446 0.027581 -0.029271 -0.041371 35O 2dxz -0.006688 -0.013909 0.014488 -0.003642 0.013105 -0.010917 35O 2dyz 0.026278 0.031940 -0.009528 -0.015361 -0.004386 -0.025974 35O 2dx2y2 0.006645 -0.007626 0.025824 -0.029344 0.008390 0.021394 35O 2dxy 0.009952 -0.002009 0.003310 -0.027801 0.026732 0.011180 35O 1f0 -0.000046 0.002138 -0.000679 0.001395 -0.001390 0.000794 35O 1f+1 0.002355 0.000303 0.000155 0.002263 -0.001421 -0.002378 35O 1f-1 0.001375 -0.000680 -0.000229 -0.000337 -0.001111 0.001564 35O 1f+2 -0.000330 -0.000807 0.000613 0.000600 0.002103 -0.000718 35O 1f-2 0.001493 -0.001033 -0.000671 -0.001513 0.000251 0.000325 35O 1f+3 0.000847 0.002231 -0.001461 0.001311 0.000685 -0.000863 35O 1f-3 0.000537 -0.001652 -0.000262 0.001491 -0.001177 -0.003252 246 247 248 249 250 251 0.81363 0.81919 0.82270 0.83113 0.84150 0.84819 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s 0.001696 0.000524 0.000684 0.000870 0.000726 0.000144 0Rh 2s -0.003021 -0.001398 -0.001444 -0.001953 -0.002196 0.000121 0Rh 3s 0.008035 0.002199 0.003105 0.003875 0.002884 0.000916 0Rh 4s 0.012244 0.006100 0.006074 0.008320 0.009708 -0.000844 0Rh 5s 0.021449 0.000619 0.005587 0.005464 -0.001529 0.006815 0Rh 6s -0.163830 -0.038562 -0.060060 -0.071924 -0.057111 -0.023050 0Rh 7s 1.027396 0.304455 0.282725 0.487716 0.601994 0.110421 0Rh 8s 0.351148 -0.149115 0.647093 0.083743 0.811373 -0.300245 0Rh 1pz 0.018238 0.001088 -0.008061 -0.017501 -0.003263 0.001499 0Rh 1px -0.004012 0.001831 -0.005103 -0.012083 0.006767 -0.002741 0Rh 1py 0.000277 0.000246 -0.020604 0.011807 -0.002110 0.003400 0Rh 2pz -0.062586 -0.003794 0.027737 0.059694 0.011437 -0.004956 0Rh 2px 0.013225 -0.006191 0.017322 0.041148 -0.022800 0.009441 0Rh 2py -0.000791 -0.001072 0.070303 -0.040453 0.007382 -0.011988 0Rh 3pz 0.042868 0.003822 -0.020329 -0.033070 -0.012281 -0.000192 0Rh 3px 0.001651 0.002516 -0.008255 -0.021643 0.007323 -0.006951 0Rh 3py -0.002683 0.005083 -0.039777 0.026112 -0.007715 0.014185 0Rh 4pz 0.153608 0.004522 -0.063080 -0.179123 -0.012035 0.025237 0Rh 4px -0.073786 0.021129 -0.054909 -0.126736 0.087082 -0.022060 0Rh 4py 0.015113 -0.012811 -0.206609 0.106387 -0.008002 0.008059 0Rh 5pz -0.152467 -0.002698 0.050430 0.197027 -0.006653 -0.037390 0Rh 5px 0.096442 -0.019310 0.045742 0.134405 -0.104667 0.020322 0Rh 5py -0.025052 0.010521 0.221611 -0.106061 -0.002305 0.001946 0Rh 6pz 2.055336 0.486190 -0.474313 0.086109 1.102384 0.785418 0Rh 6px 0.539959 -0.101325 -0.012597 -0.135347 0.338109 0.250460 0Rh 6py -0.555873 0.717308 -0.146646 0.865650 -0.272507 -0.299814 0Rh 1dz2 0.010997 -0.004471 -0.008850 -0.013547 -0.017492 -0.016003 0Rh 1dxz -0.005463 -0.017170 0.010340 -0.008930 0.036862 0.017823 0Rh 1dyz -0.006791 0.023034 0.000095 0.012102 0.003021 0.014181 0Rh 1dx2y2 0.006825 0.001188 -0.000211 -0.007690 0.002150 0.021284 0Rh 1dxy -0.000529 -0.039860 0.004696 -0.012654 0.010066 -0.028344 0Rh 2dz2 -0.003100 -0.000254 0.002093 0.003469 0.003291 0.003512 0Rh 2dxz 0.000799 0.003533 -0.002812 0.000612 -0.008929 -0.003646 0Rh 2dyz 0.001487 -0.007101 0.000294 -0.001928 -0.000477 -0.002622 0Rh 2dx2y2 -0.000353 -0.000505 0.000682 0.001252 0.001309 -0.004733 0Rh 2dxy 0.000866 0.007548 -0.002332 0.003596 -0.001176 0.006080 0Rh 3dz2 -0.009075 0.010341 0.009153 0.012834 0.021692 0.017589 0Rh 3dxz 0.007620 0.019934 -0.009097 0.015583 -0.037031 -0.020865 0Rh 3dyz 0.007464 -0.016293 -0.001429 -0.016515 -0.004131 -0.017818 0Rh 3dx2y2 -0.012447 -0.000200 -0.002500 0.010286 -0.010109 -0.023180 0Rh 3dxy -0.002586 0.048980 0.000285 0.010519 -0.015591 0.032018 0Rh 4dz2 -0.055532 -0.003586 0.036062 0.061404 0.061566 0.065993 0Rh 4dxz 0.016109 0.064774 -0.048411 0.017016 -0.163702 -0.068661 0Rh 4dyz 0.026738 -0.129703 0.003528 -0.035877 -0.008986 -0.049448 0Rh 4dx2y2 -0.008035 -0.009240 0.010577 0.026047 0.019955 -0.087352 0Rh 4dxy 0.012876 0.140787 -0.035829 0.062030 -0.024354 0.112549 0Rh 5dz2 0.201157 0.172571 -0.059982 -0.163530 -0.114396 -0.187384 0Rh 5dxz -0.003396 -0.145097 0.134935 0.014104 0.488813 0.173945 0Rh 5dyz -0.061998 0.642806 -0.005040 -0.001650 -0.005486 0.077858 0Rh 5dx2y2 -0.111303 0.065059 -0.072496 -0.088993 -0.175845 0.220562 0Rh 5dxy -0.074761 -0.228600 0.106627 -0.196251 -0.006175 -0.293705 0Rh 1f0 0.010835 0.004396 0.009138 -0.007877 0.005918 -0.000251 0Rh 1f+1 -0.005012 -0.002791 -0.006385 -0.004186 0.002593 0.006174 0Rh 1f-1 -0.007588 0.001424 0.009552 0.004406 0.001640 -0.004432 0Rh 1f+2 -0.011702 0.003891 -0.001338 -0.015078 -0.012997 -0.002439 0Rh 1f-2 -0.005859 -0.005605 0.004970 -0.001686 -0.001361 -0.006033 0Rh 1f+3 -0.013826 0.004198 -0.008353 -0.003673 -0.005994 0.006360 0Rh 1f-3 -0.004123 -0.007408 -0.011309 0.000244 0.001197 -0.005792 1Rh 1s 0.001436 -0.000563 0.000662 0.000982 -0.000702 -0.000096 1Rh 2s -0.002480 0.001515 -0.001385 -0.002200 0.002103 -0.000219 1Rh 3s 0.006851 -0.002353 0.003012 0.004376 -0.002803 -0.000698 1Rh 4s 0.009984 -0.006619 0.005819 0.009359 -0.009282 0.001254 1Rh 5s 0.019156 -0.000472 0.005507 0.006353 0.001135 -0.006360 1Rh 6s -0.141547 0.040962 -0.057897 -0.082039 0.056361 0.018641 1Rh 7s 0.915776 -0.317335 0.260261 0.558173 -0.591006 -0.083271 1Rh 8s 0.390500 0.130247 0.607714 0.107492 -0.824329 0.306332 1Rh 1pz -0.017887 0.001703 0.008114 0.017335 -0.002384 0.001855 1Rh 1px 0.003326 0.002048 0.005394 0.011942 0.007247 -0.002468 1Rh 1py -0.000141 -0.000655 0.020514 -0.011715 -0.003456 0.003466 1Rh 2pz 0.061418 -0.005899 -0.027919 -0.059157 0.008437 -0.006156 1Rh 2px -0.010910 -0.006934 -0.018302 -0.040680 -0.024444 0.008523 1Rh 2py 0.000318 0.002026 -0.069992 0.040141 0.011987 -0.012207 1Rh 3pz -0.042824 0.005118 0.020462 0.033317 -0.010597 0.000137 1Rh 3px -0.002452 0.002992 0.008577 0.021633 0.008393 -0.006740 1Rh 3py 0.003205 0.002800 0.039542 -0.025974 -0.010554 0.014158 1Rh 4pz -0.147818 0.010248 0.063478 0.175517 -0.003114 0.030289 1Rh 4px 0.064829 0.023157 0.058660 0.124552 0.091404 -0.018102 1Rh 4py -0.014844 -0.019828 0.205973 -0.105413 -0.020680 0.009330 1Rh 5pz 0.144826 -0.007908 -0.050582 -0.191858 -0.016166 -0.045034 1Rh 5px -0.082644 -0.022044 -0.050579 -0.132428 -0.108906 0.014649 1Rh 5py 0.026754 0.017281 -0.221386 0.105741 0.010829 -0.000007 1Rh 6pz -2.060403 0.479093 0.479375 -0.160667 1.088480 0.750712 1Rh 6px -0.688513 -0.073985 0.027704 0.147201 0.347724 0.253312 1Rh 6py 0.569681 0.608963 0.142920 -0.860296 -0.341040 -0.317391 1Rh 1dz2 0.012396 0.003802 -0.008927 -0.015201 0.016809 0.016342 1Rh 1dxz -0.006582 0.017280 0.009893 -0.006418 -0.037072 -0.019111 1Rh 1dyz -0.007453 -0.022953 -0.000033 0.013127 -0.002126 -0.014353 1Rh 1dx2y2 0.005051 -0.001082 -0.000507 -0.006196 -0.002613 -0.021692 1Rh 1dxy -0.000629 0.039529 0.005269 -0.013475 -0.010859 0.028288 1Rh 2dz2 -0.003388 0.000383 0.002130 0.003752 -0.003102 -0.003572 1Rh 2dxz 0.001011 -0.003601 -0.002658 0.000013 0.008932 0.003860 1Rh 2dyz 0.001737 0.007018 0.000340 -0.002222 0.000301 0.002644 1Rh 2dx2y2 0.000124 0.000451 0.000649 0.001013 -0.001268 0.004854 1Rh 2dxy 0.000981 -0.007460 -0.002488 0.003775 0.001414 -0.006074 1Rh 3dz2 -0.010688 -0.009532 0.009147 0.014997 -0.021104 -0.018024 1Rh 3dxz 0.009005 -0.019867 -0.008846 0.013022 0.037443 0.022588 1Rh 3dyz 0.007726 0.016482 -0.001364 -0.017337 0.003048 0.018075 1Rh 3dx2y2 -0.010899 0.000213 -0.001751 0.008266 0.010878 0.023501 1Rh 3dxy -0.002881 -0.048685 -0.000216 0.011431 0.016202 -0.031934 1Rh 4dz2 -0.060709 0.005946 0.036767 0.066762 -0.058218 -0.067176 1Rh 4dxz 0.020099 -0.065792 -0.045697 0.006039 0.164016 0.072748 1Rh 4dyz 0.031372 0.128356 0.004306 -0.041325 0.005863 0.049929 1Rh 4dx2y2 0.000388 0.008389 0.010223 0.021437 -0.018970 0.089473 1Rh 4dxy 0.014760 -0.139210 -0.038624 0.065309 0.028372 -0.112342 1Rh 5dz2 0.207177 -0.175671 -0.064295 -0.168409 0.104090 0.190627 1Rh 5dxz -0.012686 0.147753 0.123918 0.046415 -0.489024 -0.179350 1Rh 5dyz -0.092545 -0.633524 -0.008071 0.024560 0.008871 -0.078104 1Rh 5dx2y2 -0.136158 -0.060879 -0.065157 -0.083513 0.175423 -0.228315 1Rh 5dxy -0.087779 0.224229 0.115975 -0.202872 -0.005695 0.292049 1Rh 1f0 -0.010353 0.004964 -0.008938 0.007288 0.006922 -0.000495 1Rh 1f+1 0.005377 -0.002688 0.006243 0.003955 0.002728 0.005929 1Rh 1f-1 0.007690 0.001479 -0.009628 -0.004472 0.001571 -0.004822 1Rh 1f+2 0.011774 0.004146 0.001057 0.015642 -0.012393 -0.001759 1Rh 1f-2 0.005440 -0.005722 -0.005079 0.002360 -0.001160 -0.005973 1Rh 1f+3 0.013883 0.004079 0.008070 0.003760 -0.006292 0.006396 1Rh 1f-3 0.004206 -0.007394 0.011222 0.000004 0.000902 -0.005494 2C 1s 0.002299 -0.005992 0.000716 0.000080 0.001680 -0.000406 2C 2s 0.007832 -0.014440 0.002937 0.001038 0.001619 -0.001746 2C 3s -0.063314 -0.032542 -0.041007 -0.039988 0.153542 0.033797 2C 4s 0.412083 0.393691 0.239858 0.404866 -1.055811 -0.098864 2C 5s -3.101019 5.163701 -1.030162 -1.753368 -0.043748 -0.275625 2C 1pz -0.012870 0.026111 0.034312 -0.046704 0.053889 -0.015976 2C 1px 0.017448 0.002123 -0.028069 0.021190 -0.059681 0.001200 2C 1py -0.018031 0.004341 -0.055548 0.054145 -0.001775 0.056283 2C 2pz 0.026620 0.365955 0.210551 -0.186759 -0.197583 -0.212470 2C 2px 0.080108 0.136339 -0.015345 0.055564 -0.348331 -0.058057 2C 2py -0.027634 0.192956 -0.212320 0.388125 -0.269265 0.218390 2C 3pz -0.674525 1.041984 -0.171520 -0.321513 -0.038455 -0.082343 2C 3px -0.278785 0.977220 -0.169273 -0.098286 -0.782736 -0.213478 2C 3py -0.223173 0.646410 -0.131074 -0.045474 -0.018039 0.240848 2C 1dz2 -0.001863 0.004321 -0.005451 -0.001332 -0.003241 -0.002287 2C 1dxz -0.002323 -0.001565 0.001953 0.001798 -0.003019 0.000585 2C 1dyz 0.001032 0.001765 0.002200 0.001231 -0.002644 0.000693 2C 1dx2y2 -0.002130 -0.001654 -0.001385 -0.000356 0.001642 -0.000349 2C 1dxy -0.001109 -0.001778 0.001522 0.001417 -0.000015 -0.001470 2C 2dz2 0.022741 -0.008557 0.048661 0.149988 0.108439 0.101693 2C 2dxz -0.125342 0.210562 -0.128284 0.109940 0.176248 0.189025 2C 2dyz 0.009281 0.080372 -0.074309 -0.017906 -0.158406 -0.047293 2C 2dx2y2 0.017158 0.096633 -0.210784 0.334747 -0.382026 0.164265 2C 2dxy -0.134487 0.296607 0.107974 -0.382692 0.022926 -0.313628 2C 1f0 0.008013 -0.005443 -0.007179 0.022225 -0.013423 0.015342 2C 1f+1 -0.001910 0.009310 0.005893 -0.009166 -0.000350 -0.008995 2C 1f-1 -0.002943 0.008191 0.002921 -0.005431 -0.000876 -0.004094 2C 1f+2 -0.000695 -0.001645 0.003373 -0.002923 0.017178 0.002909 2C 1f-2 -0.003905 0.010835 0.000945 0.005848 -0.002560 0.004811 2C 1f+3 -0.002111 0.002336 -0.005070 0.008676 0.006912 0.009623 2C 1f-3 0.000065 -0.003597 -0.002881 -0.000958 -0.008725 -0.005566 3C 1s 0.003634 0.004033 0.001186 0.001621 -0.001799 0.002043 3C 2s 0.011733 0.008622 0.003905 0.005912 -0.006264 0.001878 3C 3s -0.081571 0.076430 -0.036797 -0.052309 0.102497 0.188435 3C 4s 0.516525 -0.520299 0.126626 0.249814 -0.615202 -1.240308 3C 5s -5.070593 -4.065711 -0.571421 -2.150916 2.102492 -0.938480 3C 1pz -0.035052 0.005743 -0.032049 -0.024080 0.033897 0.071994 3C 1px 0.041499 -0.037306 -0.069804 -0.055356 -0.053770 0.029918 3C 1py 0.037255 -0.006616 -0.032003 0.002744 -0.042009 0.008368 3C 2pz -0.120215 -0.077448 -0.187610 -0.155684 0.013282 0.126715 3C 2px 0.187878 -0.321512 -0.294602 -0.144305 -0.290150 -0.078847 3C 2py 0.066611 0.304278 -0.247985 -0.102826 0.003791 0.568334 3C 3pz -0.490259 -0.345199 -0.083828 -0.308218 0.347288 0.329089 3C 3px -0.449835 -1.307120 -0.204438 -0.306150 -0.092745 -0.306023 3C 3py 0.988237 0.674843 0.119544 0.360452 -0.300990 0.690669 3C 1dz2 0.004720 -0.001681 0.004011 -0.001573 -0.001784 -0.000599 3C 1dxz 0.001969 -0.001681 0.000379 0.001176 -0.001800 -0.003927 3C 1dyz -0.001038 0.004182 -0.002222 0.002291 0.000792 0.003422 3C 1dx2y2 0.003004 0.002901 0.000923 0.002134 0.000808 0.003449 3C 1dxy -0.000825 -0.000703 0.001947 -0.003945 0.003170 0.002822 3C 2dz2 0.068388 -0.044884 -0.087831 0.060529 -0.019587 0.174534 3C 2dxz -0.348411 0.090000 0.406200 0.198712 0.409495 -0.057979 3C 2dyz -0.051365 0.136280 -0.006113 -0.080380 0.053138 0.187914 3C 2dx2y2 -0.092442 -0.233918 0.133425 0.111253 0.011315 -0.282063 3C 2dxy 0.177482 0.333886 0.125945 0.213604 -0.047622 -0.251430 3C 1f0 0.000874 0.001568 0.009424 0.009219 0.001845 -0.013338 3C 1f+1 0.005407 -0.002907 -0.008410 -0.000288 -0.007648 -0.004235 3C 1f-1 0.009082 -0.000664 -0.005371 -0.004512 -0.009120 0.001891 3C 1f+2 0.000611 0.003087 -0.002830 0.001113 0.005551 0.015357 3C 1f-2 0.002526 0.012686 0.003533 0.001517 0.004460 0.009618 3C 1f+3 -0.014027 -0.007376 0.013554 0.006317 0.012062 -0.011335 3C 1f-3 -0.013655 0.000892 0.009250 0.006207 0.013362 0.002250 4C 1s 0.001955 0.008085 0.001600 0.004807 -0.003913 0.004541 4C 2s 0.004983 0.017449 0.003459 0.011313 -0.006632 0.012163 4C 3s 0.063541 0.041842 0.078813 0.010970 -0.208670 -0.092693 4C 4s -0.881634 -0.365807 -0.746917 -0.442591 1.508364 0.282131 4C 5s 1.073296 -2.653864 -0.302809 0.692748 2.137551 0.076830 4C 1pz -0.015971 0.027806 -0.047041 -0.034314 -0.063260 -0.052231 4C 1px -0.002603 -0.076408 0.079674 0.036650 0.015017 -0.006987 4C 1py 0.028044 0.022281 0.053127 0.020722 -0.023072 0.015039 4C 2pz -0.157211 0.139591 -0.159630 -0.285812 0.270589 -0.094783 4C 2px 0.007050 -0.001618 0.147632 0.477044 -0.270028 0.079840 4C 2py -0.118776 0.071331 -0.053194 0.018729 0.060389 -0.026784 4C 3pz -0.736832 3.263203 -0.216602 -0.419712 -0.186019 0.137799 4C 3px 1.015332 -1.651719 0.037472 1.318474 -0.257794 0.671463 4C 3py -0.898850 1.571048 -0.502821 -0.001170 -0.568148 -0.364793 4C 1dz2 -0.003717 0.008813 0.004119 -0.008324 -0.002683 -0.005219 4C 1dxz 0.008742 -0.004943 -0.003420 0.008419 -0.013270 0.001333 4C 1dyz -0.006099 0.011504 -0.004152 0.005200 -0.005316 0.003931 4C 1dx2y2 -0.004075 -0.009662 -0.005998 -0.002482 0.008659 0.004352 4C 1dxy 0.001255 -0.002585 -0.001841 -0.005112 0.001065 -0.001231 4C 2dz2 0.234477 -0.201097 0.219908 -0.179987 0.275794 -0.005704 4C 2dxz 0.059081 0.017571 0.099237 0.251853 -0.140026 0.140634 4C 2dyz -0.061269 -0.358723 -0.186663 0.060695 0.233823 0.082013 4C 2dx2y2 -0.048501 0.071595 -0.083138 0.121154 0.000939 0.121329 4C 2dxy -0.073001 0.183752 0.150923 -0.226459 0.219674 -0.177995 4C 1f0 0.003193 0.008821 0.005001 -0.007097 -0.006494 -0.012443 4C 1f+1 0.008191 -0.002011 0.011823 0.005655 -0.028034 -0.004163 4C 1f-1 0.006230 0.000467 0.002015 -0.002252 -0.006606 -0.004600 4C 1f+2 -0.005612 -0.018767 -0.006982 -0.011403 0.021845 0.002363 4C 1f-2 0.002107 0.003307 0.007398 0.007856 -0.009330 -0.000849 4C 1f+3 -0.000205 -0.011260 0.001815 -0.007168 0.004607 -0.003516 4C 1f-3 0.012732 -0.004905 0.006742 0.000364 -0.012112 0.001332 5C 1s 0.000323 -0.005077 0.002109 -0.001938 -0.000760 -0.008995 5C 2s 0.001759 -0.009742 0.005141 -0.004231 -0.000983 -0.019274 5C 3s 0.055226 -0.135589 0.039954 0.068767 -0.117596 -0.212945 5C 4s -0.913117 0.876543 -0.620769 -0.629141 1.004380 1.860859 5C 5s 1.649332 2.923685 -0.397270 0.236451 0.638356 3.653890 5C 1pz 0.021361 -0.019034 0.042872 -0.036679 -0.026845 -0.030451 5C 1px 0.064740 0.069493 -0.027836 0.095074 -0.027209 -0.027457 5C 1py 0.030154 0.060244 0.007883 -0.016673 -0.004827 0.034456 5C 2pz -0.255140 -0.023613 0.110790 -0.154685 0.197219 0.167703 5C 2px 0.287382 -0.013071 -0.570221 0.184200 -0.153929 0.145673 5C 2py 0.267085 0.017198 -0.019633 0.143852 -0.205191 -0.245385 5C 3pz -2.059760 -1.750569 -0.194096 -0.630162 0.907166 -0.738753 5C 3px 0.882510 1.361345 -1.061086 -0.175028 -0.479735 -0.263317 5C 3py 1.526110 2.502019 0.119101 0.888597 -0.684074 0.647478 5C 1dz2 0.007637 0.000945 -0.000995 -0.000406 -0.005973 -0.002557 5C 1dxz 0.003755 -0.000026 0.005181 0.000056 -0.004339 -0.012752 5C 1dyz 0.009978 0.004867 0.002042 0.005677 -0.003777 0.003786 5C 1dx2y2 0.007172 0.016787 -0.004556 -0.004053 0.000087 0.011554 5C 1dxy -0.008427 0.001368 0.007408 0.007580 0.009950 0.003770 5C 2dz2 -0.043186 -0.110481 -0.211256 -0.061793 -0.088378 0.012154 5C 2dxz -0.109126 0.062926 0.163529 0.217275 0.139992 -0.165640 5C 2dyz 0.087620 -0.319879 0.043666 0.026734 -0.186870 -0.464311 5C 2dx2y2 -0.316917 -0.185478 -0.228907 -0.081714 0.142835 0.086277 5C 2dxy -0.161762 0.096155 0.309399 -0.024889 0.126614 -0.315556 5C 1f0 0.005489 -0.009400 -0.008312 0.001134 -0.005499 -0.001656 5C 1f+1 0.008971 0.005048 0.011575 0.002917 -0.010618 -0.019263 5C 1f-1 0.001298 -0.002721 -0.000922 0.006291 0.001154 -0.003623 5C 1f+2 -0.003625 0.011291 -0.002044 -0.000200 0.000388 0.005323 5C 1f-2 -0.010523 0.019976 0.006449 -0.010531 0.013670 0.021253 5C 1f+3 0.012345 -0.006422 0.005940 0.009065 -0.020155 -0.024855 5C 1f-3 -0.000295 0.018139 -0.012804 -0.005569 0.003489 0.030988 6C 1s 0.000757 0.005229 0.002221 -0.002473 0.000625 0.008845 6C 2s 0.002668 0.010115 0.005359 -0.005313 0.000632 0.018915 6C 3s 0.054284 0.129768 0.043639 0.052355 0.121494 0.214232 6C 4s -0.895850 -0.839999 -0.650464 -0.493958 -1.019890 -1.868852 6C 5s 1.525900 -2.957809 -0.452194 0.483257 -0.633161 -3.592728 6C 1pz -0.025052 -0.015674 -0.043307 0.039906 -0.022735 -0.031476 6C 1px -0.059397 0.069781 0.028238 -0.095557 -0.032503 -0.027537 6C 1py -0.029443 0.061329 -0.007349 0.014527 -0.002853 0.034061 6C 2pz 0.229140 -0.029812 -0.104556 0.146216 0.204209 0.175045 6C 2px -0.242999 -0.018613 0.553716 -0.190714 -0.170517 0.129060 6C 2py -0.243033 0.027204 0.015365 -0.133499 -0.210616 -0.250724 6C 3pz 1.876820 -1.834744 0.177554 0.692773 0.909362 -0.698671 6C 3px -0.743007 1.381922 1.028186 0.130390 -0.486435 -0.296865 6C 3py -1.291082 2.555332 -0.093104 -0.979526 -0.698225 0.621686 6C 1dz2 0.008122 -0.001086 -0.000876 -0.000973 0.005946 0.002481 6C 1dxz 0.003532 -0.000135 0.005315 -0.000500 0.004221 0.013063 6C 1dyz 0.008876 -0.005320 0.002098 0.006006 0.003902 -0.003566 6C 1dx2y2 0.006394 -0.017093 -0.004639 -0.003136 -0.000391 -0.011429 6C 1dxy -0.008055 -0.001055 0.006846 0.008131 -0.009596 -0.003771 6C 2dz2 -0.033825 0.112829 -0.204160 -0.072741 0.093692 -0.022574 6C 2dxz -0.127190 -0.057215 0.154784 0.223946 -0.127361 0.171355 6C 2dyz 0.096343 0.315007 0.051503 -0.005203 0.185156 0.466102 6C 2dx2y2 -0.299566 0.204800 -0.226980 -0.079116 -0.136145 -0.088393 6C 2dxy -0.154464 -0.095037 0.300434 -0.026191 -0.129891 0.312523 6C 1f0 -0.005470 -0.009232 0.008005 -0.000540 -0.005593 -0.001942 6C 1f+1 -0.008993 0.005682 -0.011502 -0.001826 -0.010624 -0.019038 6C 1f-1 -0.000506 -0.002837 0.000818 -0.006400 0.000898 -0.003842 6C 1f+2 0.004205 0.011164 0.002091 -0.000519 0.000328 0.005496 6C 1f-2 0.010189 0.019786 -0.005785 0.008705 0.014345 0.021609 6C 1f+3 -0.011864 -0.005721 -0.006594 -0.007227 -0.020437 -0.024743 6C 1f-3 0.000312 0.017693 0.012879 0.003950 0.003591 0.030974 7C 1s 0.002768 -0.008267 0.001634 0.004565 0.004032 -0.004645 7C 2s 0.006866 -0.017850 0.003537 0.010893 0.006915 -0.012399 7C 3s 0.067302 -0.042196 0.078963 -0.001286 0.207486 0.094088 7C 4s -0.940611 0.378643 -0.749172 -0.352426 -1.511159 -0.296901 7C 5s 0.867108 2.704037 -0.302938 0.794966 -2.087767 0.024352 7C 1pz 0.015998 0.027945 0.046815 0.037780 -0.063440 -0.050410 7C 1px 0.002831 -0.080723 -0.080731 -0.035869 0.014357 -0.008764 7C 1py -0.025880 0.023477 -0.052657 -0.021134 -0.022606 0.013324 7C 2pz 0.156257 0.143295 0.165074 0.269567 0.281599 -0.073430 7C 2px 0.033688 -0.012280 -0.162359 -0.465406 -0.289551 0.037998 7C 2py 0.131433 0.069108 0.050479 -0.024155 0.058566 -0.029414 7C 3pz 0.600767 3.328250 0.227769 0.403797 -0.152941 0.233335 7C 3px -1.062362 -1.687013 -0.071914 -1.259239 -0.301471 0.553448 7C 3py 0.836225 1.560688 0.499470 0.044114 -0.556078 -0.332318 7C 1dz2 -0.002949 -0.009233 0.003984 -0.008521 0.002158 0.004748 7C 1dxz 0.009328 0.005120 -0.003025 0.007344 0.013723 -0.000890 7C 1dyz -0.005789 -0.011455 -0.004132 0.005032 0.005686 -0.004061 7C 1dx2y2 -0.004104 0.009956 -0.005892 -0.002085 -0.008557 -0.004443 7C 1dxy 0.001168 0.002504 -0.001735 -0.005242 -0.001396 0.001447 7C 2dz2 0.232866 0.187895 0.213491 -0.168999 -0.296244 0.009528 7C 2dxz 0.049790 -0.016453 0.104520 0.249725 0.149882 -0.126034 7C 2dyz -0.072824 0.373939 -0.181720 0.072280 -0.222951 -0.083419 7C 2dx2y2 -0.052797 -0.075368 -0.079336 0.124637 0.006459 -0.119293 7C 2dxy -0.103182 -0.196803 0.142729 -0.208582 -0.237385 0.184296 7C 1f0 -0.003496 0.009204 -0.004693 0.007571 -0.005758 -0.012424 7C 1f+1 -0.009479 -0.002207 -0.012190 -0.003595 -0.027882 -0.004395 7C 1f-1 -0.007100 0.000616 -0.002009 0.002854 -0.006384 -0.004181 7C 1f+2 0.005625 -0.018853 0.006996 0.010679 0.022356 0.002962 7C 1f-2 -0.001459 0.003305 -0.007654 -0.007374 -0.009623 -0.001536 7C 1f+3 -0.000529 -0.011432 -0.001760 0.007378 0.004985 -0.002999 7C 1f-3 -0.014405 -0.004839 -0.006647 0.000585 -0.012045 0.001654 8C 1s 0.003279 -0.004188 0.001148 0.001773 0.001787 -0.001953 8C 2s 0.010805 -0.009093 0.003866 0.006059 0.006282 -0.001627 8C 3s -0.081737 -0.072836 -0.039609 -0.039775 -0.103455 -0.189292 8C 4s 0.529461 0.499521 0.145389 0.168503 0.621326 1.246239 8C 5s -4.699853 4.246741 -0.531493 -2.251585 -2.134203 0.838186 8C 1pz 0.030202 0.003474 0.033643 0.021964 0.032001 0.074543 8C 1px -0.041925 -0.035643 0.065851 0.057374 -0.051384 0.029213 8C 1py -0.036587 -0.006220 0.030984 -0.000741 -0.043075 0.009140 8C 2pz 0.089989 -0.085548 0.190202 0.163674 0.006566 0.137956 8C 2px -0.202460 -0.315004 0.274319 0.169984 -0.284825 -0.080230 8C 2py -0.057948 0.304941 0.252276 0.076497 0.002595 0.571008 8C 3pz 0.460793 -0.357851 0.090769 0.292573 0.346751 0.339401 8C 3px 0.356305 -1.320487 0.175860 0.367969 -0.085039 -0.306305 8C 3py -0.928243 0.713197 -0.107982 -0.400878 -0.307057 0.666354 8C 1dz2 0.004632 0.001364 0.004018 -0.001673 0.001457 0.000707 8C 1dxz 0.001914 0.001595 0.000424 0.000970 0.001821 0.003931 8C 1dyz -0.001114 -0.004061 -0.002253 0.002489 -0.000582 -0.003435 8C 1dx2y2 0.002845 -0.002986 0.000843 0.002444 -0.000763 -0.003387 8C 1dxy -0.000814 0.000609 0.001821 -0.003680 -0.003443 -0.002840 8C 2dz2 0.056623 0.037543 -0.083325 0.069555 0.023074 -0.177504 8C 2dxz -0.353007 -0.075727 0.387962 0.218499 -0.400279 0.061265 8C 2dyz -0.041082 -0.137423 -0.013261 -0.070273 -0.054452 -0.191252 8C 2dx2y2 -0.099018 0.237819 0.133728 0.100742 -0.010468 0.286632 8C 2dxy 0.148894 -0.338099 0.121746 0.219262 0.054496 0.257978 8C 1f0 -0.000002 0.001592 -0.009188 -0.009335 0.001586 -0.013758 8C 1f+1 -0.004927 -0.002673 0.007988 0.000755 -0.007519 -0.004029 8C 1f-1 -0.009674 -0.000214 0.005298 0.005084 -0.008883 0.002114 8C 1f+2 -0.000542 0.002892 0.003052 -0.001785 0.005394 0.015379 8C 1f-2 -0.001841 0.012682 -0.003250 -0.002445 0.004555 0.009622 8C 1f+3 0.013622 -0.008003 -0.013002 -0.006242 0.011743 -0.011338 8C 1f-3 0.013372 0.000300 -0.008611 -0.006865 0.013061 0.002472 9C 1s 0.002200 0.006051 0.000688 0.000103 -0.001662 0.000538 9C 2s 0.007678 0.014600 0.002874 0.000947 -0.001553 0.002109 9C 3s -0.070199 0.032509 -0.041261 -0.030539 -0.155214 -0.035675 9C 4s 0.457295 -0.390579 0.244226 0.340981 1.071787 0.119672 9C 5s -2.913591 -5.270859 -1.042623 -1.711442 -0.051291 0.042667 9C 1pz 0.013155 0.028328 -0.032705 0.044045 0.059062 -0.014701 9C 1px -0.017571 0.002094 0.025413 -0.014846 -0.060540 -0.003684 9C 1py 0.016283 0.001633 0.054263 -0.054886 -0.007860 0.056461 9C 2pz -0.040007 0.379162 -0.205967 0.199903 -0.171688 -0.208675 9C 2px -0.082069 0.138214 0.004478 -0.023203 -0.348247 -0.072725 9C 2py 0.010589 0.180230 0.205214 -0.379775 -0.308905 0.221028 9C 3pz 0.640861 1.048579 0.178963 0.319230 -0.004821 -0.042510 9C 3px 0.257437 0.986699 0.164283 0.144377 -0.787350 -0.202874 9C 3py 0.160374 0.678094 0.124974 0.039356 -0.034212 0.270268 9C 1dz2 -0.001892 -0.004132 -0.005464 -0.001466 0.003358 0.002110 9C 1dxz -0.002065 0.001731 0.001995 0.001507 0.003110 -0.000562 9C 1dyz 0.001315 -0.001966 0.002218 0.001073 0.002637 -0.000664 9C 1dx2y2 -0.002348 0.001787 -0.001366 -0.000237 -0.001550 0.000222 9C 1dxy -0.000925 0.001882 0.001574 0.001311 0.000032 0.001473 9C 2dz2 0.016342 0.015544 0.048099 0.158098 -0.100560 -0.099291 9C 2dxz -0.128587 -0.210271 -0.130119 0.134777 -0.167453 -0.201362 9C 2dyz 0.017281 -0.081776 -0.070121 -0.028019 0.157701 0.043452 9C 2dx2y2 0.021034 -0.084798 -0.204303 0.321628 0.411012 -0.158927 9C 2dxy -0.149413 -0.314169 0.092640 -0.374380 -0.044024 0.306972 9C 1f0 -0.008640 -0.005912 0.006699 -0.021521 -0.014962 0.014852 9C 1f+1 0.002054 0.009589 -0.005587 0.008841 0.000139 -0.008772 9C 1f-1 0.002432 0.008445 -0.002761 0.005585 -0.000367 -0.003851 9C 1f+2 0.001360 -0.001575 -0.003033 0.001760 0.017589 0.002988 9C 1f-2 0.003762 0.010887 -0.000819 -0.006022 -0.002720 0.004993 9C 1f+3 0.002419 0.002195 0.004924 -0.009552 0.006280 0.010054 9C 1f-3 -0.000129 -0.003735 0.002786 0.001675 -0.008507 -0.005581 10H 1s 0.010307 -0.016108 0.002436 0.010770 0.001444 0.005575 10H 2s -0.027655 -0.123590 0.224086 -0.222463 0.813138 0.031002 10H 3s 0.303130 -0.573497 0.050592 0.216148 0.071101 0.149215 10H 1pz -0.006121 0.009866 0.000537 -0.015642 0.012584 -0.006733 10H 1px 0.014771 -0.006887 -0.005047 0.024548 -0.062682 -0.001485 10H 1py -0.003907 0.009919 -0.008581 0.009965 -0.000248 0.003859 11H 1s 0.010374 -0.005451 0.007293 0.007121 -0.001179 0.011996 11H 2s 0.247442 -0.068439 0.342308 -0.427888 -0.151609 -0.461307 11H 3s 0.271915 -0.174912 0.007586 0.434592 -0.469771 0.100680 11H 1pz -0.001104 -0.000596 0.010121 -0.037151 0.008592 -0.028778 11H 1px 0.003095 -0.008701 0.009360 -0.017349 -0.013107 -0.026332 11H 1py -0.001467 -0.021012 -0.012128 0.025599 0.007625 0.015656 12H 1s 0.005939 -0.011853 0.002618 0.006963 -0.000358 -0.000548 12H 2s 0.241514 -0.321717 -0.401311 0.881052 -0.341962 0.567177 12H 3s 0.399158 -0.254111 0.258162 0.153155 -0.246472 -0.041750 12H 1pz 0.003305 0.008160 0.019235 -0.026532 0.019473 -0.014011 12H 1px 0.013737 -0.003384 -0.000004 0.020674 -0.006231 0.018024 12H 1py 0.003879 -0.008514 -0.025334 0.049251 -0.009101 0.032166 13H 1s 0.015789 0.015138 -0.003080 -0.000746 -0.004256 0.004161 13H 2s -0.300573 0.479472 0.407541 0.139130 0.567443 0.416382 13H 3s 0.508538 0.480675 0.035235 0.131144 -0.260089 0.033128 13H 1pz -0.029358 0.006414 0.009262 -0.008460 0.030100 0.031154 13H 1px 0.031466 -0.019896 -0.027836 -0.001300 -0.041215 -0.025734 13H 1py 0.006326 0.003717 -0.008199 -0.002779 -0.003378 -0.000868 14H 1s 0.007582 0.005027 0.001208 0.001733 -0.000369 0.000611 14H 2s 0.601178 -0.028162 -0.748593 -0.361320 -0.520761 0.624871 14H 3s 0.434406 0.019263 0.102726 0.283428 -0.227514 -0.290086 14H 1pz 0.007538 0.010361 -0.029856 -0.019015 -0.008046 0.030262 14H 1px 0.030824 -0.003843 -0.043241 -0.017780 -0.027403 0.033574 14H 1py -0.002106 -0.015409 -0.029787 -0.017258 -0.006536 0.019104 15H 1s 0.014493 0.013403 0.003490 0.004133 -0.012659 -0.002714 15H 2s 0.291915 0.054889 0.376213 0.361629 -0.099824 -0.573606 15H 3s 0.616357 0.153344 -0.092897 0.222888 -0.480153 -0.418059 15H 1pz -0.005790 0.001990 -0.016001 -0.016232 0.005973 0.041028 15H 1px 0.010796 0.011091 -0.012389 0.007281 -0.002209 -0.001617 15H 1py 0.008851 0.015440 -0.021820 -0.019632 -0.019553 0.009287 16H 1s -0.002392 -0.007740 0.009552 0.000410 0.007720 0.002468 16H 2s -0.153685 0.055556 -0.092654 -0.040931 -0.265393 0.004924 16H 3s 0.048622 0.094585 -0.221909 -0.136741 -0.255427 0.007725 16H 1pz -0.003567 0.016521 -0.012971 -0.013120 -0.009839 -0.006764 16H 1px 0.017583 -0.009612 0.016649 -0.011569 0.016629 0.004160 16H 1py -0.003478 0.004934 -0.008513 0.013958 -0.032143 0.010589 17H 1s -0.000432 -0.003975 0.003543 0.003404 -0.010855 -0.009204 17H 2s -0.017059 -0.024987 -0.027234 0.048973 -0.137966 0.104836 17H 3s -0.043678 0.043114 -0.040797 0.197270 -0.069588 0.146155 17H 1pz 0.009531 0.008228 -0.011121 -0.007345 -0.002330 0.002666 17H 1px -0.012541 -0.001482 0.002342 0.002987 -0.020263 -0.015626 17H 1py -0.004497 0.004359 -0.019173 0.004014 -0.024279 0.014583 18H 1s -0.000793 0.003141 0.003903 0.002532 0.011239 0.009440 18H 2s -0.031643 0.023374 -0.017882 0.042672 0.145555 -0.108757 18H 3s -0.066665 -0.028855 -0.029335 0.200411 0.079018 -0.142827 18H 1pz -0.009906 0.008541 0.010579 0.006553 -0.001468 0.003065 18H 1px 0.012712 -0.000920 -0.003138 -0.001855 -0.020105 -0.017003 18H 1py 0.005858 0.004279 0.018011 -0.003481 -0.025347 0.014731 19H 1s -0.003743 0.008492 0.009750 0.001227 -0.007340 -0.002235 19H 2s -0.166848 -0.059079 -0.083328 -0.050579 0.268106 -0.005190 19H 3s 0.038357 -0.100599 -0.219737 -0.138627 0.255887 -0.012846 19H 1pz 0.002096 0.017287 0.012732 0.014457 -0.008302 -0.007270 19H 1px -0.016616 -0.010730 -0.016440 0.010156 0.016910 0.004201 19H 1py 0.005585 0.004775 0.007418 -0.013183 -0.033582 0.011289 20H 1s 0.014313 -0.014269 0.003507 0.003756 0.012617 0.003066 20H 2s 0.249121 -0.067641 0.382347 0.352784 0.096262 0.596573 20H 3s 0.596434 -0.168327 -0.085593 0.189632 0.487038 0.420738 20H 1pz 0.004152 0.002024 0.016682 0.015051 0.005745 0.042067 20H 1px -0.008592 0.010995 0.011771 -0.008091 -0.002534 -0.002170 20H 1py -0.010594 0.015963 0.021738 0.020375 -0.019136 0.009614 21H 1s 0.007522 -0.005392 0.001005 0.002104 0.000487 -0.000423 21H 2s 0.612097 0.007759 -0.722996 -0.371061 0.513012 -0.626639 21H 3s 0.413962 -0.039422 0.104509 0.272742 0.234224 0.310349 21H 1pz -0.008156 0.010139 0.029508 0.018730 -0.007726 0.030943 21H 1px -0.031974 -0.002725 0.041516 0.018517 -0.027097 0.033652 21H 1py 0.001256 -0.015618 0.028932 0.017229 -0.006453 0.019022 22H 1s 0.014534 -0.015904 -0.003266 0.000035 0.004006 -0.003662 22H 2s -0.298396 -0.465828 0.371106 0.184010 -0.554853 -0.422737 22H 3s 0.460611 -0.502082 0.030900 0.141074 0.259403 -0.028500 22H 1pz 0.026831 0.004990 -0.007595 0.006812 0.029554 0.031707 22H 1px -0.031485 -0.018697 0.025701 0.004114 -0.041055 -0.026689 22H 1py -0.006495 0.004181 0.008337 0.002889 -0.003723 -0.000631 23H 1s 0.006496 0.012335 0.002612 0.006484 0.000629 0.001324 23H 2s 0.254780 0.353449 -0.378562 0.858936 0.415427 -0.542047 23H 3s 0.413672 0.253010 0.261117 0.131939 0.253047 0.066714 23H 1pz -0.001269 0.008872 -0.018256 0.025065 0.022130 -0.013377 23H 1px -0.014077 -0.004029 -0.000885 -0.019919 -0.007454 0.017181 23H 1py -0.003716 -0.010065 0.024207 -0.049307 -0.013417 0.032043 24H 1s 0.010264 0.005633 0.007109 0.006966 0.001269 -0.011044 24H 2s 0.232383 0.054444 0.338932 -0.458129 0.102541 0.486916 24H 3s 0.269882 0.196629 0.009509 0.404284 0.495244 -0.073150 24H 1pz 0.001752 0.000269 -0.010165 0.036928 0.011328 -0.027759 24H 1px -0.002516 -0.008071 -0.009882 0.020201 -0.011153 -0.027749 24H 1py 0.000639 -0.022107 0.011573 -0.025948 0.004978 0.015929 25H 1s 0.009868 0.016451 0.002477 0.010603 -0.000963 -0.004284 25H 2s -0.044957 0.119937 0.203535 -0.160754 -0.834063 -0.050078 25H 3s 0.292570 0.586981 0.053547 0.214036 -0.063773 -0.125457 25H 1pz 0.006953 0.010953 -0.000076 0.014845 0.014269 -0.006507 25H 1px -0.016212 -0.007372 0.003567 -0.019206 -0.064176 -0.004018 25H 1py 0.003861 0.009303 0.008712 -0.010927 -0.002199 0.004175 26O 1s 0.006520 0.000441 -0.002300 -0.005957 -0.000443 0.001649 26O 2s 0.015202 -0.000261 -0.004894 -0.013357 -0.001690 0.003216 26O 3s -0.018028 0.026507 -0.007356 0.000651 0.016869 0.009953 26O 4s -0.148794 -0.197839 0.117786 0.260014 -0.012239 -0.098183 26O 5s 0.582400 0.698363 0.038809 -1.223986 -0.345827 -0.027689 26O 1pz -0.008225 0.017141 0.046615 -0.001285 -0.006632 0.000330 26O 1px 0.011394 -0.061458 0.055297 0.019708 0.010538 -0.004502 26O 1py -0.035555 -0.009177 0.049174 0.009907 -0.008128 -0.050071 26O 2pz -0.012208 0.141383 0.093202 -0.029260 -0.003354 0.009349 26O 2px -0.039442 -0.076487 0.070614 0.094731 0.034532 0.019559 26O 2py -0.133281 0.053971 0.061918 -0.008893 -0.007519 -0.130886 26O 3pz 0.008056 -0.873337 -0.440917 0.138218 0.014572 -0.066972 26O 3px -0.380127 0.335637 -0.447437 0.071539 0.367091 -0.000390 26O 3py 0.490749 -0.562831 -0.386936 0.555774 0.144039 0.846453 26O 1dz2 0.002725 0.002083 0.003515 -0.003840 0.001798 -0.002165 26O 1dxz -0.000710 0.001708 -0.001161 -0.002395 -0.000665 -0.003563 26O 1dyz -0.001012 0.001612 -0.000857 -0.000159 0.000833 -0.001270 26O 1dx2y2 -0.003860 0.001537 0.001303 -0.003974 0.004484 -0.004009 26O 1dxy 0.000483 -0.001648 -0.002100 0.006061 -0.001203 0.004591 26O 2dz2 -0.000147 0.031533 -0.004563 -0.001485 0.019238 0.018019 26O 2dxz 0.005967 -0.008480 0.018302 0.001710 -0.021285 -0.000468 26O 2dyz 0.013240 -0.005264 -0.029930 -0.022515 0.000097 -0.016303 26O 2dx2y2 0.021884 0.011385 0.026980 -0.008278 -0.002417 -0.009757 26O 2dxy 0.023216 -0.015321 0.015211 -0.003963 -0.027657 0.001705 26O 1f0 0.000299 -0.001750 0.000096 0.002610 0.000282 0.001764 26O 1f+1 0.000902 0.000216 0.000170 0.001111 -0.003462 0.000104 26O 1f-1 0.001701 -0.003879 -0.000623 -0.000185 0.000375 0.000288 26O 1f+2 -0.001870 0.002921 -0.001635 0.000411 -0.000399 -0.000789 26O 1f-2 0.000500 0.000367 -0.000470 -0.000239 -0.001170 -0.000856 26O 1f+3 0.001480 0.000573 0.000433 0.001771 -0.002680 0.001193 26O 1f-3 0.000393 0.000112 0.002385 -0.003191 -0.001080 -0.002504 27O 1s 0.004994 0.000920 0.009617 -0.004411 -0.001276 -0.008815 27O 2s 0.011423 0.003258 0.021482 -0.009732 -0.003709 -0.020295 27O 3s -0.010459 -0.022164 -0.004640 -0.004732 0.019172 0.019093 27O 4s -0.091277 0.150642 -0.407307 0.201980 -0.017919 0.326568 27O 5s 0.171469 -1.125346 1.987295 -0.191684 -0.239091 -1.780696 27O 1pz -0.040896 -0.037458 -0.007253 0.016152 0.019443 -0.034971 27O 1px 0.024282 0.039882 -0.008941 0.086527 -0.010745 -0.004640 27O 1py -0.009957 0.010296 -0.002963 -0.077237 0.030302 0.015119 27O 2pz -0.145425 -0.110606 0.014735 0.034018 0.079598 -0.096965 27O 2px -0.025065 0.067056 -0.128866 0.140401 0.017588 0.109010 27O 2py 0.006029 0.100645 -0.033790 -0.126086 0.042211 0.021025 27O 3pz 0.823993 0.451422 -0.146847 -0.325801 -0.645077 0.345712 27O 3px 0.043566 0.151461 -0.847243 -0.643325 0.264778 1.096622 27O 3py -0.069500 -0.925228 0.366788 0.502881 -0.248707 -0.287953 27O 1dz2 0.000366 0.000035 0.002530 0.000341 -0.000846 -0.002858 27O 1dxz 0.007737 -0.001516 -0.002871 -0.002536 -0.005487 0.000657 27O 1dyz -0.002539 0.001540 0.001687 -0.001808 -0.000603 -0.003984 27O 1dx2y2 0.002052 0.001468 -0.009260 -0.002250 -0.001505 0.008398 27O 1dxy 0.003297 -0.002100 0.001288 0.000583 -0.004519 0.002108 27O 2dz2 -0.049931 0.002993 -0.046786 -0.001284 0.029486 0.040366 27O 2dxz 0.006214 0.000320 -0.010605 0.003197 -0.014007 0.007511 27O 2dyz 0.014268 0.009194 -0.009583 0.021149 -0.020009 -0.021703 27O 2dx2y2 -0.005439 -0.000868 0.008654 0.028055 -0.014108 -0.040580 27O 2dxy 0.001055 -0.004608 -0.016998 -0.006853 0.015594 0.033156 27O 1f0 -0.002216 -0.001516 -0.000532 0.002169 0.001644 0.000408 27O 1f+1 -0.001325 -0.001399 0.003261 0.001763 -0.000050 -0.004511 27O 1f-1 0.000751 -0.000721 -0.001506 -0.001160 -0.000210 -0.000084 27O 1f+2 0.000690 -0.003876 -0.000396 -0.000165 -0.001221 -0.001448 27O 1f-2 -0.001741 -0.001169 -0.001203 0.000454 0.001635 0.001694 27O 1f+3 -0.000252 -0.000620 0.001436 0.000474 -0.001630 -0.004536 27O 1f-3 -0.003386 -0.001526 0.000763 -0.000224 0.002480 -0.000691 28O 1s -0.004701 0.003076 0.004351 0.009438 -0.010149 0.003290 28O 2s -0.010396 0.008253 0.009692 0.021180 -0.024188 0.006204 28O 3s -0.004187 -0.030329 -0.004441 -0.004567 0.034362 0.022648 28O 4s 0.152675 0.060020 -0.183869 -0.401805 0.293107 -0.245594 28O 5s 0.294940 -1.039039 1.062194 1.701322 -1.573642 0.733954 28O 1pz 0.081157 -0.004599 -0.059346 0.001613 -0.040335 -0.008999 28O 1px -0.003692 -0.015158 0.021642 0.040488 0.005010 0.023327 28O 1py 0.000865 -0.022458 -0.017608 -0.026506 -0.039931 -0.033910 28O 2pz 0.199344 -0.093288 -0.114632 0.006962 -0.029851 -0.004308 28O 2px 0.034774 -0.029796 0.091408 0.176471 -0.111591 0.062200 28O 2py -0.008834 -0.086211 -0.047119 -0.024308 -0.114615 -0.068829 28O 3pz -1.389354 0.715489 -0.301754 -0.707308 0.973565 -0.047941 28O 3px 0.199598 0.166042 0.223103 0.281474 -0.825515 -0.080922 28O 3py -0.234563 0.688205 0.362120 -0.339968 0.809543 0.118809 28O 1dz2 -0.006416 -0.001098 -0.004645 0.004614 -0.004582 0.002165 28O 1dxz 0.006223 -0.002478 0.004317 0.006852 -0.005353 0.000853 28O 1dyz 0.002506 -0.000375 0.002645 -0.005905 0.002520 -0.001903 28O 1dx2y2 -0.001807 -0.002550 -0.001948 -0.003074 0.007773 -0.000503 28O 1dxy -0.000330 -0.007202 -0.005238 0.005517 -0.001803 0.002473 28O 2dz2 0.026075 0.000137 0.022517 0.025128 -0.009380 0.014302 28O 2dxz 0.005833 -0.027897 0.006229 -0.018975 0.065550 0.018002 28O 2dyz 0.002523 -0.028799 0.025714 0.006336 -0.002481 -0.015501 28O 2dx2y2 0.037840 0.007444 0.029843 0.016445 -0.027964 0.003069 28O 2dxy -0.015441 -0.029013 -0.001851 0.014537 0.006184 0.010789 28O 1f0 0.000172 0.001810 0.000422 0.000027 -0.003325 -0.000882 28O 1f+1 0.001828 0.001528 0.001973 -0.000693 0.000086 -0.000661 28O 1f-1 -0.000745 0.003505 0.001946 0.000632 0.000049 -0.000454 28O 1f+2 -0.000278 -0.002849 -0.001016 -0.002628 0.004428 0.000828 28O 1f-2 -0.000818 -0.001548 -0.001633 0.001010 0.000070 0.000526 28O 1f+3 -0.000122 -0.000520 -0.000783 -0.001301 0.003564 0.000454 28O 1f-3 -0.001131 -0.000407 -0.002092 0.001547 -0.001128 0.000446 29O 1s 0.006615 -0.000783 0.004019 0.001331 0.004703 -0.001159 29O 2s 0.015660 -0.002243 0.010101 0.003557 0.009556 -0.002418 29O 3s -0.013702 0.010317 -0.020307 -0.010091 0.016469 -0.001697 29O 4s -0.196930 -0.008980 -0.075418 0.001398 -0.295015 0.064728 29O 5s 0.320330 -0.046253 0.183266 -0.063336 0.702483 -0.193319 29O 1pz -0.021114 -0.009220 0.009637 0.018422 -0.007387 -0.009048 29O 1px 0.047257 0.005719 0.015448 0.027316 0.001241 0.004951 29O 1py 0.007084 0.007987 0.014210 -0.002900 0.016395 0.007256 29O 2pz -0.025500 -0.002227 0.021990 0.038249 -0.021613 -0.004957 29O 2px 0.084490 0.015120 0.027591 0.044867 0.044805 -0.004724 29O 2py 0.000918 0.011663 0.017145 -0.010359 0.024908 0.006768 29O 3pz -0.146618 0.073041 -0.150888 -0.206579 -0.205692 -0.115870 29O 3px -0.237360 -0.051439 0.003124 -0.139995 -0.072618 -0.085541 29O 3py -0.039946 -0.030673 -0.095962 -0.007627 -0.231430 0.074282 29O 1dz2 0.000115 0.001167 -0.001739 -0.000896 -0.001296 0.000925 29O 1dxz -0.001541 -0.000311 0.000494 0.001823 -0.001799 -0.000279 29O 1dyz -0.001420 0.000656 -0.000938 -0.000867 -0.001213 -0.001025 29O 1dx2y2 -0.001107 -0.000179 0.000084 0.000934 -0.001246 -0.000157 29O 1dxy -0.000598 -0.000122 0.000789 -0.002205 0.000943 -0.000180 29O 2dz2 -0.002028 -0.014301 0.008683 0.005785 0.017883 0.018013 29O 2dxz -0.015762 0.009325 -0.026405 -0.010500 -0.027579 -0.025351 29O 2dyz -0.001444 -0.011427 0.002016 -0.008886 0.014058 -0.003917 29O 2dx2y2 0.003131 -0.005072 -0.003092 -0.002589 -0.043700 -0.001358 29O 2dxy 0.011779 0.020730 -0.022410 0.016190 -0.009757 0.024438 29O 1f0 -0.000434 0.000766 -0.001450 -0.000185 -0.001728 0.000552 29O 1f+1 0.000637 0.000408 -0.000133 0.000002 -0.000465 -0.001000 29O 1f-1 0.000147 0.001799 -0.001390 -0.000286 -0.001578 0.000046 29O 1f+2 0.000898 -0.001028 0.001787 0.000516 0.001818 0.000320 29O 1f-2 0.000026 0.000259 -0.000280 0.000767 0.000743 0.001929 29O 1f+3 0.000914 -0.000528 0.000607 -0.000102 -0.000425 -0.001033 29O 1f-3 0.000854 0.001070 -0.000633 0.000875 -0.000855 0.000033 30O 1s 0.000142 -0.004517 -0.008777 0.007327 -0.002423 -0.006397 30O 2s 0.000193 -0.011983 -0.019840 0.016273 -0.005527 -0.015098 30O 3s -0.000292 0.042598 0.004248 -0.002905 0.006080 0.021332 30O 4s -0.093135 -0.047531 0.334130 -0.303853 0.124318 0.227605 30O 5s 1.503536 0.533005 -1.021582 1.503385 -1.315457 -1.458670 30O 1pz 0.012173 -0.035769 0.039088 -0.035387 -0.017272 -0.020561 30O 1px 0.005907 0.021506 -0.029814 0.017012 0.001805 -0.025609 30O 1py -0.078849 0.002901 -0.005330 0.036418 0.057933 0.020021 30O 2pz -0.002600 -0.017029 0.061723 -0.089383 -0.003177 -0.007120 30O 2px 0.086216 -0.001135 -0.126987 0.093922 -0.082717 -0.134612 30O 2py -0.204111 -0.095435 -0.019692 0.078960 0.123212 0.024999 30O 3pz -0.705237 0.101788 0.353617 -0.013757 0.747707 0.422111 30O 3px 0.409558 -0.441154 0.196518 0.331386 -0.389913 -0.480443 30O 3py 1.781460 0.476000 0.095156 0.281603 -1.204086 -0.996969 30O 1dz2 -0.001516 -0.000791 0.007511 0.004679 0.001101 -0.007646 30O 1dxz 0.004141 -0.002226 -0.005671 0.001593 -0.005530 -0.000513 30O 1dyz 0.006177 -0.002735 -0.003814 0.000398 -0.002885 -0.002353 30O 1dx2y2 -0.001189 0.004385 0.002850 0.000115 0.003820 0.002958 30O 1dxy -0.009436 -0.003475 -0.003042 -0.004353 0.004523 0.005993 30O 2dz2 -0.033494 -0.023265 0.001061 -0.006836 0.032882 -0.001577 30O 2dxz -0.022340 0.020590 -0.013601 -0.010920 0.027316 0.043469 30O 2dyz -0.025080 0.009160 0.020066 -0.046201 0.012573 0.021864 30O 2dx2y2 -0.015746 -0.014816 -0.008553 0.000702 0.003891 0.006940 30O 2dxy 0.008999 -0.052385 -0.011232 -0.014215 -0.016248 -0.031085 30O 1f0 0.002009 -0.000326 0.000021 -0.000179 -0.002357 -0.003028 30O 1f+1 -0.000902 -0.002236 -0.003161 -0.000852 0.000065 0.001525 30O 1f-1 -0.001044 0.001143 -0.000398 0.000283 0.000139 0.001518 30O 1f+2 0.000462 0.004620 0.001954 -0.001102 0.000698 0.002056 30O 1f-2 -0.000678 0.003076 0.001635 -0.000952 0.000572 0.001113 30O 1f+3 0.000202 0.000062 0.001482 0.000234 0.001239 0.000382 30O 1f-3 -0.000182 0.002309 -0.001118 -0.001614 0.000918 0.004717 31O 1s -0.000268 0.004802 -0.008606 0.007055 0.003030 0.006784 31O 2s -0.000501 0.012615 -0.019426 0.015557 0.006899 0.015978 31O 3s -0.004270 -0.042384 0.003465 -0.000302 -0.006623 -0.021718 31O 4s -0.050210 0.038100 0.329660 -0.301971 -0.146354 -0.241882 31O 5s 1.249306 -0.556401 -0.983610 1.458432 1.395385 1.517831 31O 1pz -0.009512 -0.033885 -0.040994 0.036499 -0.013308 -0.021166 31O 1px -0.003658 0.022083 0.029613 -0.017804 -0.000083 -0.025623 31O 1py 0.077234 -0.002031 0.006916 -0.040039 0.054285 0.020762 31O 2pz 0.004245 -0.014854 -0.064690 0.087788 0.004826 -0.006585 31O 2px -0.074384 0.001503 0.122491 -0.089337 -0.090171 -0.138793 31O 2py 0.203350 -0.106757 0.022234 -0.083371 0.115078 0.026510 31O 3pz 0.645124 0.072470 -0.309603 -0.021300 0.739762 0.429584 31O 3px -0.374968 -0.434215 -0.204673 -0.287913 -0.395804 -0.485193 31O 3py -1.691814 0.547157 -0.126661 -0.224994 -1.192874 -1.028202 31O 1dz2 -0.001621 0.000733 0.007333 0.004527 -0.001014 0.007824 31O 1dxz 0.003870 0.002188 -0.005341 0.001292 0.005656 0.000591 31O 1dyz 0.005983 0.002634 -0.003653 0.000101 0.002922 0.002391 31O 1dx2y2 -0.001326 -0.004517 0.002638 0.000501 -0.003866 -0.002870 31O 1dxy -0.008674 0.003771 -0.003107 -0.004190 -0.004539 -0.006296 31O 2dz2 -0.032789 0.024413 0.000269 -0.005747 -0.032509 0.001107 31O 2dxz -0.020975 -0.018084 -0.014551 -0.007950 -0.026711 -0.044899 31O 2dyz -0.023205 -0.009812 0.019511 -0.044898 -0.015633 -0.022817 31O 2dx2y2 -0.016749 0.016385 -0.008049 0.001064 -0.003030 -0.007050 31O 2dxy 0.009097 0.051843 -0.009910 -0.017387 0.015925 0.030820 31O 1f0 -0.001764 -0.000175 -0.000116 0.000328 -0.002308 -0.003063 31O 1f+1 0.000855 -0.002300 0.003099 0.000870 0.000011 0.001587 31O 1f-1 0.001114 0.001094 0.000397 -0.000364 0.000099 0.001512 31O 1f+2 -0.000231 0.004675 -0.001873 0.000850 0.000823 0.002054 31O 1f-2 0.000659 0.003048 -0.001586 0.000807 0.000698 0.001157 31O 1f+3 -0.000204 0.000123 -0.001409 -0.000298 0.001278 0.000290 31O 1f-3 0.000201 0.002243 0.001139 0.001364 0.000999 0.004802 32O 1s 0.006489 0.000728 0.003832 0.001583 -0.004815 0.001379 32O 2s 0.015304 0.002085 0.009712 0.004108 -0.009799 0.002943 32O 3s -0.012484 -0.009714 -0.020790 -0.009923 -0.016611 0.001164 32O 4s -0.198770 0.007641 -0.064721 -0.010638 0.301216 -0.071303 32O 5s 0.324660 0.053277 0.159368 -0.035282 -0.719702 0.206436 32O 1pz 0.020909 -0.010536 -0.010369 -0.016825 -0.008506 -0.009409 32O 1px -0.045354 0.005388 -0.014898 -0.028480 0.001090 0.003861 32O 1py -0.008999 0.008252 -0.013265 0.001432 0.017382 0.007322 32O 2pz 0.024921 -0.003820 -0.024284 -0.035346 -0.023163 -0.005114 32O 2px -0.082972 0.014135 -0.025360 -0.048638 0.044600 -0.006855 32O 2py -0.005193 0.011365 -0.015785 0.008616 0.025890 0.006759 32O 3pz 0.153323 0.081261 0.152142 0.209004 -0.194069 -0.117631 32O 3px 0.210327 -0.045541 -0.001951 0.151074 -0.063861 -0.080524 32O 3py 0.062888 -0.020307 0.086864 0.021877 -0.238656 0.074980 32O 1dz2 0.000046 -0.001167 -0.001652 -0.000813 0.001279 -0.000986 32O 1dxz -0.001614 0.000331 0.000598 0.001713 0.001888 0.000233 32O 1dyz -0.001501 -0.000681 -0.000976 -0.000901 0.001296 0.001039 32O 1dx2y2 -0.001078 0.000251 0.000133 0.000897 0.001300 0.000125 32O 1dxy -0.000390 0.000035 0.000715 -0.002125 -0.001095 0.000142 32O 2dz2 -0.003507 0.015025 0.008771 0.008010 -0.016094 -0.018891 32O 2dxz -0.013973 -0.010780 -0.026135 -0.012496 0.027474 0.026706 32O 2dyz -0.000867 0.011841 0.001299 -0.008476 -0.013655 0.003973 32O 2dx2y2 0.000977 0.004329 -0.001234 -0.004014 0.043361 0.001976 32O 2dxy 0.010421 -0.021204 -0.022785 0.016514 0.011466 -0.024664 32O 1f0 0.000422 0.000681 0.001322 0.000246 -0.001673 0.000564 32O 1f+1 -0.000700 0.000457 0.000111 0.000076 -0.000408 -0.001146 32O 1f-1 -0.000231 0.001899 0.001389 0.000362 -0.001583 0.000110 32O 1f+2 -0.000809 -0.001108 -0.001792 -0.000643 0.001835 0.000298 32O 1f-2 0.000073 0.000140 0.000254 -0.000865 0.000730 0.001956 32O 1f+3 -0.000874 -0.000488 -0.000632 0.000103 -0.000358 -0.001032 32O 1f-3 -0.000807 0.001088 0.000661 -0.000862 -0.000943 0.000010 33O 1s -0.004778 -0.003180 0.004391 0.009048 0.010545 -0.002466 33O 2s -0.010486 -0.008485 0.009772 0.020205 0.025075 -0.004386 33O 3s -0.005625 0.030389 -0.004297 -0.002355 -0.034364 -0.022350 33O 4s 0.162085 -0.058046 -0.187503 -0.392994 -0.310642 0.207389 33O 5s 0.268268 1.058450 1.094503 1.615035 1.634487 -0.567330 33O 1pz -0.080699 -0.004866 0.058871 0.001205 -0.042080 -0.010401 33O 1px 0.001972 -0.016697 -0.021324 -0.040388 0.003476 0.021304 33O 1py -0.003117 -0.023534 0.016632 0.030553 -0.038645 -0.034785 33O 2pz -0.205987 -0.094934 0.113957 -0.000305 -0.033089 -0.006400 33O 2px -0.038433 -0.031942 -0.092796 -0.168948 -0.117382 0.049301 33O 2py -0.001097 -0.091642 0.043687 0.037031 -0.113482 -0.072384 33O 3pz 1.423453 0.730758 0.320419 0.617754 0.993717 0.025560 33O 3px -0.162058 0.157425 -0.240949 -0.250507 -0.843137 -0.095915 33O 3py 0.291789 0.731419 -0.332101 0.261455 0.834382 0.140183 33O 1dz2 -0.006252 0.001469 -0.004446 0.004406 0.005105 -0.002356 33O 1dxz 0.006218 0.002537 0.004451 0.006419 0.005517 -0.000219 33O 1dyz 0.002355 0.000030 0.002511 -0.005803 -0.002958 0.001845 33O 1dx2y2 -0.001773 0.002535 -0.002118 -0.002694 -0.007929 0.000353 33O 1dxy -0.000052 0.007659 -0.005007 0.005286 0.002290 -0.002395 33O 2dz2 0.025631 -0.000742 0.022319 0.025192 0.009728 -0.013057 33O 2dxz 0.006565 0.026755 0.005465 -0.015774 -0.067088 -0.019448 33O 2dyz 0.003126 0.029644 0.025895 0.005440 0.002153 0.016589 33O 2dx2y2 0.036222 -0.009533 0.029827 0.015464 0.027492 -0.001620 33O 2dxy -0.015137 0.030395 -0.001252 0.014547 -0.005281 -0.010578 33O 1f0 -0.000165 0.001822 -0.000444 0.000129 -0.003338 -0.000910 33O 1f+1 -0.001635 0.001689 -0.001900 0.000629 0.000257 -0.000788 33O 1f-1 0.000829 0.003576 -0.001895 -0.000729 0.000081 -0.000490 33O 1f+2 0.000274 -0.002842 0.001044 0.002442 0.004528 0.000974 33O 1f-2 0.000825 -0.001662 0.001562 -0.001019 -0.000052 0.000533 33O 1f+3 0.000192 -0.000509 0.000837 0.001080 0.003622 0.000503 33O 1f-3 0.001025 -0.000522 0.002038 -0.001483 -0.001281 0.000441 34O 1s 0.005332 -0.001488 0.009474 -0.004868 0.000768 0.008398 34O 2s 0.011972 -0.004538 0.021168 -0.010717 0.002567 0.019392 34O 3s -0.006591 0.022792 -0.004792 -0.005010 -0.019115 -0.019599 34O 4s -0.127961 -0.132622 -0.401418 0.228185 0.038484 -0.306340 34O 5s 0.305725 1.054663 1.964958 -0.338493 0.185879 1.708673 34O 1pz 0.040750 -0.038419 0.007627 -0.015324 0.018043 -0.033873 34O 1px -0.018924 0.038127 0.009287 -0.087536 -0.015353 -0.005954 34O 1py 0.011507 0.011691 0.003225 0.073884 0.034759 0.015573 34O 2pz 0.142243 -0.114896 -0.013069 -0.031588 0.076651 -0.092974 34O 2px 0.037100 0.057228 0.128365 -0.149231 0.008245 0.103180 34O 2py 0.001198 0.104223 0.033448 0.117819 0.048862 0.021779 34O 3pz -0.805173 0.493269 0.130574 0.330112 -0.617143 0.335390 34O 3px -0.035347 0.151232 0.834676 0.586210 0.282223 1.091337 34O 3py 0.011906 -0.932412 -0.367369 -0.439838 -0.266659 -0.285674 34O 1dz2 0.000539 0.000018 0.002520 0.000126 0.000876 0.002719 34O 1dxz 0.007977 0.001204 -0.002648 -0.002868 0.005251 -0.000638 34O 1dyz -0.002703 -0.001555 0.001692 -0.001849 0.000498 0.003989 34O 1dx2y2 0.001919 -0.001415 -0.009043 -0.001995 0.001548 -0.008344 34O 1dxy 0.003403 0.001970 0.001446 0.000278 0.004458 -0.002178 34O 2dz2 -0.049651 -0.000885 -0.046578 0.001122 -0.027916 -0.040843 34O 2dxz 0.005127 -0.000254 -0.009891 0.002944 0.014308 -0.007822 34O 2dyz 0.015185 -0.009449 -0.009272 0.019694 0.021587 0.021966 34O 2dx2y2 -0.004788 0.000426 0.008588 0.025805 0.016103 0.039540 34O 2dxy 0.002670 0.005766 -0.016992 -0.005724 -0.015640 -0.033157 34O 1f0 0.002123 -0.001651 0.000573 -0.002187 0.001468 0.000420 34O 1f+1 0.001301 -0.001350 -0.003211 -0.001591 -0.000106 -0.004468 34O 1f-1 -0.000823 -0.000735 0.001481 0.001202 -0.000189 -0.000045 34O 1f+2 -0.001032 -0.003833 0.000326 0.000461 -0.001194 -0.001462 34O 1f-2 0.001621 -0.001311 0.001246 -0.000508 0.001552 0.001694 34O 1f+3 0.000237 -0.000540 -0.001440 -0.000246 -0.001696 -0.004458 34O 1f-3 0.003397 -0.001683 -0.000714 0.000138 0.002478 -0.000749 35O 1s 0.007030 -0.000254 -0.002357 -0.005985 0.000339 -0.002263 35O 2s 0.016210 0.000678 -0.005007 -0.013441 0.001415 -0.004560 35O 3s -0.016443 -0.026564 -0.007577 0.001574 -0.015929 -0.010498 35O 4s -0.179833 0.193869 0.122357 0.258350 0.012699 0.128854 35O 5s 0.717646 -0.703751 0.008231 -1.235192 0.315701 -0.098812 35O 1pz 0.008190 0.017090 -0.046066 0.000753 -0.005817 0.000524 35O 1px -0.010286 -0.061442 -0.054899 -0.019823 0.010663 -0.006605 35O 1py 0.035215 -0.010590 -0.049001 -0.008771 -0.007250 -0.049861 35O 2pz 0.017627 0.143920 -0.091221 0.023048 -0.000086 0.012879 35O 2px 0.053125 -0.074576 -0.071356 -0.098486 0.031841 0.009569 35O 2py 0.140311 0.051834 -0.060650 0.007759 -0.004709 -0.129486 35O 3pz -0.028379 -0.896477 0.429520 -0.103356 -0.005523 -0.091374 35O 3px 0.441283 0.310506 0.432898 -0.097850 0.353430 -0.014499 35O 3py -0.494963 -0.567790 0.363463 -0.554968 0.102919 0.809752 35O 1dz2 0.002839 -0.002340 0.003328 -0.003718 -0.002106 0.001973 35O 1dxz -0.000685 -0.001786 -0.001266 -0.002521 0.000551 0.003651 35O 1dyz -0.001285 -0.001508 -0.000881 -0.000009 -0.000796 0.001316 35O 1dx2y2 -0.004432 -0.001540 0.001267 -0.003737 -0.004729 0.004089 35O 1dxy 0.000252 0.001746 -0.001878 0.006025 0.001558 -0.004224 35O 2dz2 -0.004347 -0.032957 -0.004405 0.001329 -0.019859 -0.016739 35O 2dxz 0.006428 0.008434 0.018507 0.000410 0.020834 0.000952 35O 2dyz 0.011099 0.004890 -0.030448 -0.021750 -0.000130 0.014587 35O 2dx2y2 0.023001 -0.012137 0.026326 -0.008431 0.000874 0.009262 35O 2dxy 0.024946 0.015292 0.015181 -0.005663 0.027023 -0.001713 35O 1f0 -0.000289 -0.001855 -0.000147 -0.002616 0.000133 0.001708 35O 1f+1 -0.001123 0.000125 -0.000208 -0.000905 -0.003553 0.000186 35O 1f-1 -0.001768 -0.003922 0.000612 0.000248 0.000374 0.000326 35O 1f+2 0.001946 0.002926 0.001662 -0.000453 -0.000493 -0.000777 35O 1f-2 -0.000521 0.000390 0.000482 0.000328 -0.001147 -0.000877 35O 1f+3 -0.001564 0.000632 -0.000466 -0.001668 -0.002724 0.001163 35O 1f-3 -0.000620 0.000157 -0.002324 0.003321 -0.000872 -0.002372 252 253 254 255 256 257 0.85016 0.86311 0.86430 0.89359 0.89689 0.90679 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s 0.000739 -0.000197 -0.000070 0.000039 0.000729 0.001900 0Rh 2s -0.001320 0.001346 0.001120 -0.000416 -0.002619 -0.006132 0Rh 3s 0.003498 -0.000321 0.000280 -0.000031 0.002647 0.007316 0Rh 4s 0.005338 -0.006410 -0.005573 0.002052 0.011964 0.027544 0Rh 5s 0.009617 0.010762 0.013632 -0.004625 -0.009039 -0.011650 0Rh 6s -0.070700 -0.008968 -0.027859 0.009372 -0.032220 -0.114491 0Rh 7s 0.287840 -0.026789 0.097309 -0.092596 0.199493 0.961115 0Rh 8s -0.022354 0.239546 -0.036965 -0.205935 0.410931 -0.123126 0Rh 1pz 0.000291 -0.001499 -0.006183 0.009478 -0.010776 -0.015095 0Rh 1px -0.004190 -0.006789 -0.004422 0.004670 0.002765 0.002586 0Rh 1py -0.000042 0.008899 0.000366 -0.006363 0.000229 -0.005445 0Rh 2pz -0.001099 0.005339 0.020965 -0.032409 0.036578 0.051424 0Rh 2px 0.014200 0.022812 0.014739 -0.015963 -0.009232 -0.009057 0Rh 2py -0.000049 -0.030322 -0.001347 0.021609 -0.000709 0.018426 0Rh 3pz 0.002624 -0.007537 -0.008639 0.018801 -0.015811 -0.025953 0Rh 3px -0.006059 -0.005615 -0.001096 0.009187 0.001301 0.010154 0Rh 3py 0.003614 0.015575 0.002621 -0.009695 -0.001030 -0.006689 0Rh 4pz -0.003719 0.003204 -0.078223 0.096057 -0.130031 -0.167144 0Rh 4px -0.049479 -0.095138 -0.073211 0.047400 0.039996 0.001955 0Rh 4py -0.012573 0.099585 -0.001700 -0.074919 0.007804 -0.071376 0Rh 5pz 0.006497 -0.039165 0.136571 -0.116207 0.184167 0.212683 0Rh 5px 0.057683 0.116589 0.120935 -0.055927 -0.024938 0.067905 0Rh 5py 0.029585 -0.158000 -0.021889 0.105211 -0.016496 0.110376 0Rh 6pz -0.631330 0.036995 -0.809583 0.703468 -1.887605 -1.877459 0Rh 6px -0.151661 -0.162084 -0.529557 0.451960 -0.734553 -2.009316 0Rh 6py -1.408432 0.993197 0.829006 -1.405130 0.118854 -1.553198 0Rh 1dz2 -0.001263 -0.017445 0.013242 0.036638 0.010990 -0.009515 0Rh 1dxz -0.009308 0.020275 -0.024311 0.003970 -0.013501 0.002221 0Rh 1dyz 0.001132 -0.008505 -0.010566 -0.014898 0.000858 0.009111 0Rh 1dx2y2 0.010338 0.002362 -0.010230 0.018746 0.001481 -0.007217 0Rh 1dxy -0.021365 0.031125 0.029087 -0.007474 0.001090 -0.004127 0Rh 2dz2 0.000871 0.003502 -0.003003 -0.006786 -0.003130 0.001173 0Rh 2dxz 0.002096 -0.004796 0.004487 -0.001089 0.002313 -0.000366 0Rh 2dyz 0.001629 0.001347 0.001217 0.003566 -0.001044 -0.002084 0Rh 2dx2y2 -0.002001 -0.000364 0.002731 -0.004398 0.001097 0.002535 0Rh 2dxy 0.004962 -0.006110 -0.006616 0.001852 0.000143 0.001575 0Rh 3dz2 -0.001288 0.020927 -0.014310 -0.046598 -0.009406 0.014811 0Rh 3dxz 0.010070 -0.021265 0.030899 -0.003681 0.018031 -0.002914 0Rh 3dyz -0.009518 0.011787 0.016609 0.015614 0.002715 -0.009902 0Rh 3dx2y2 -0.012538 -0.003299 0.009402 -0.019937 -0.007529 0.003959 0Rh 3dxy 0.022362 -0.037994 -0.031677 0.007434 -0.002760 0.001732 0Rh 4dz2 0.016365 0.062227 -0.055032 -0.128332 -0.052824 0.022023 0Rh 4dxz 0.038051 -0.084218 0.081291 -0.017503 0.043916 -0.008753 0Rh 4dyz 0.028678 0.024411 0.024025 0.062562 -0.016083 -0.038308 0Rh 4dx2y2 -0.036891 -0.006099 0.047721 -0.079410 0.011550 0.045788 0Rh 4dxy 0.094223 -0.110733 -0.115388 0.034448 -0.000060 0.028384 0Rh 5dz2 -0.156687 -0.094509 0.152345 0.286026 0.139639 0.019204 0Rh 5dxz -0.079431 0.189540 -0.104140 0.026692 -0.054485 0.025854 0Rh 5dyz -0.372115 -0.011182 0.048524 -0.078819 0.092141 0.139165 0Rh 5dx2y2 0.036870 -0.009327 -0.128852 0.226352 -0.050176 -0.163195 0Rh 5dxy -0.354005 0.184008 0.229404 -0.080802 0.000483 -0.103745 0Rh 1f0 -0.003340 -0.002562 0.007609 0.006952 0.003120 0.007017 0Rh 1f+1 0.002879 -0.013371 0.004843 -0.005451 0.007292 0.000442 0Rh 1f-1 -0.007449 -0.006388 0.006684 0.004410 0.001745 0.022600 0Rh 1f+2 -0.000325 -0.001983 -0.008697 0.019972 -0.007500 -0.021367 0Rh 1f-2 0.002925 -0.009502 -0.010056 -0.002366 -0.004309 -0.000085 0Rh 1f+3 0.001127 -0.001738 0.007318 -0.007281 0.003867 -0.000742 0Rh 1f-3 -0.007798 -0.016877 -0.012611 0.005699 0.004757 0.001514 1Rh 1s -0.000732 -0.000141 -0.000046 0.000026 0.000868 -0.001841 1Rh 2s 0.001310 0.001182 0.001073 0.000193 -0.003085 0.006006 1Rh 3s -0.003463 -0.000093 0.000392 0.000271 0.003170 -0.007047 1Rh 4s -0.005305 -0.005685 -0.005377 -0.001036 0.014068 -0.027013 1Rh 5s -0.009468 0.010657 0.013882 0.003955 -0.010160 0.012143 1Rh 6s 0.069836 -0.012806 -0.029906 -0.012530 -0.039812 0.109158 1Rh 7s -0.283347 -0.000779 0.109045 0.113038 0.263397 -0.935645 1Rh 8s 0.024159 0.243418 -0.075898 0.232213 0.380789 0.151436 1Rh 1pz 0.000331 0.001654 0.006276 0.010584 0.010741 -0.014631 1Rh 1px -0.004023 0.006722 0.004798 0.004641 -0.003360 0.002821 1Rh 1py -0.000470 -0.008851 -0.000557 -0.006189 0.000637 -0.005952 1Rh 2pz -0.001240 -0.005861 -0.021290 -0.036164 -0.036451 0.049845 1Rh 2px 0.013640 -0.022576 -0.016009 -0.015871 0.011287 -0.009844 1Rh 2py 0.001395 0.030153 0.002022 0.021012 -0.002227 0.020149 1Rh 3pz 0.002765 0.007677 0.008929 0.020435 0.015633 -0.025182 1Rh 3px -0.005883 0.005384 0.001552 0.009230 -0.002906 0.010240 1Rh 3py 0.003091 -0.015398 -0.003493 -0.009290 0.002268 -0.007430 1Rh 4pz -0.003523 -0.001112 0.078791 0.109394 0.129956 -0.161814 1Rh 4px -0.047263 0.094887 0.078078 0.046991 -0.044073 0.005796 1Rh 4py -0.018136 -0.099439 0.001574 -0.073401 0.002797 -0.077619 1Rh 5pz 0.006049 0.036600 -0.136890 -0.135109 -0.183663 0.204712 1Rh 5px 0.054587 -0.117180 -0.127913 -0.057652 0.024832 0.061566 1Rh 5py 0.037878 0.157948 0.020411 0.103689 0.000632 0.120048 1Rh 6pz -0.592061 -0.000563 0.812607 0.885672 1.895846 -1.779587 1Rh 6px -0.141886 0.191225 0.569156 0.521106 0.833400 -1.955847 1Rh 6py -1.390281 -0.962741 -0.784789 -1.379779 0.092552 -1.664343 1Rh 1dz2 0.001428 -0.017788 0.012528 -0.035663 0.012990 0.010126 1Rh 1dxz 0.009518 0.019208 -0.024088 -0.005020 -0.013239 -0.003341 1Rh 1dyz -0.001574 -0.008086 -0.010070 0.015015 0.000169 -0.008732 1Rh 1dx2y2 -0.010583 0.001595 -0.009293 -0.018534 0.002156 0.007816 1Rh 1dxy 0.022848 0.030351 0.027829 0.007108 0.000420 0.004942 1Rh 2dz2 -0.000906 0.003553 -0.002823 0.006535 -0.003510 -0.001343 1Rh 2dxz -0.002138 -0.004594 0.004465 0.001258 0.002242 0.000546 1Rh 2dyz -0.001567 0.001295 0.001172 -0.003633 -0.000848 0.001986 1Rh 2dx2y2 0.002056 -0.000183 0.002532 0.004439 0.000997 -0.002560 1Rh 2dxy -0.005244 -0.005942 -0.006334 -0.001723 0.000360 -0.001689 1Rh 3dz2 0.001100 0.021420 -0.013625 0.045656 -0.011901 -0.015352 1Rh 3dxz -0.010323 -0.019937 0.030533 0.005128 0.017797 0.004464 1Rh 3dyz 0.010161 0.011146 0.015779 -0.015566 0.003306 0.009540 1Rh 3dx2y2 0.012802 -0.002509 0.008341 0.019335 -0.008509 -0.005084 1Rh 3dxy -0.024197 -0.037131 -0.030303 -0.007221 -0.002317 -0.002934 1Rh 4dz2 -0.017047 0.063194 -0.051723 0.124018 -0.060132 -0.024939 1Rh 4dxz -0.038865 -0.080424 0.080778 0.020757 0.042620 0.012163 1Rh 4dyz -0.027481 0.023361 0.023075 -0.063618 -0.012731 0.036660 1Rh 4dx2y2 0.037885 -0.002727 0.043968 0.079682 0.009725 -0.046642 1Rh 4dxy -0.099449 -0.107518 -0.110163 -0.032379 0.003929 -0.030593 1Rh 5dz2 0.158425 -0.096020 0.140580 -0.275588 0.157934 -0.011383 1Rh 5dxz 0.082115 0.181832 -0.104020 -0.029799 -0.051621 -0.028603 1Rh 5dyz 0.370960 -0.012895 0.043956 0.083774 0.087643 -0.136090 1Rh 5dx2y2 -0.039421 -0.019768 -0.118578 -0.229140 -0.047006 0.160168 1Rh 5dxy 0.363405 0.173690 0.214239 0.075203 -0.012867 0.103904 1Rh 1f0 -0.003294 0.002603 -0.007630 0.006790 -0.004301 0.006710 1Rh 1f+1 0.002965 0.013469 -0.005290 -0.005996 -0.006906 0.000291 1Rh 1f-1 -0.007132 0.006498 -0.006565 0.004125 -0.003111 0.022735 1Rh 1f+2 -0.000258 0.002134 0.008834 0.020961 0.006881 -0.020541 1Rh 1f-2 0.003520 0.009338 0.010218 -0.002143 0.004232 0.000597 1Rh 1f+3 0.000851 0.001770 -0.007739 -0.007405 -0.003002 -0.000748 1Rh 1f-3 -0.007322 0.017193 0.013080 0.005125 -0.005090 0.001752 2C 1s 0.003309 -0.001260 0.002382 -0.000765 0.001530 0.003103 2C 2s 0.010692 -0.003079 0.005571 -0.000736 0.005357 0.009752 2C 3s -0.153771 0.034880 0.030754 -0.066304 -0.067570 -0.119424 2C 4s 0.913478 -0.318537 -0.233723 0.385248 0.439234 0.520790 2C 5s -3.878591 2.669614 -1.969639 0.456628 -2.385680 -0.707667 2C 1pz -0.031921 0.030465 0.003502 0.029181 -0.046185 -0.068713 2C 1px 0.046333 -0.066545 0.043801 -0.028406 -0.101091 -0.089516 2C 1py -0.070859 0.032632 -0.023998 -0.075441 -0.033451 -0.003514 2C 2pz 0.147326 0.019636 -0.032414 0.222240 -0.051544 -0.060575 2C 2px 0.198906 -0.094588 0.106648 0.106134 -0.361260 -0.217919 2C 2py -0.204192 0.170497 -0.323351 -0.134562 -0.113130 0.199880 2C 3pz -0.481973 0.534499 -0.275135 0.273086 -0.464296 -0.152096 2C 3px -0.105631 -0.102383 -0.092966 0.119985 -0.460500 -0.465324 2C 3py -0.683652 0.382965 -0.500197 -0.228400 -0.381445 0.064784 2C 1dz2 -0.000224 -0.001800 -0.003020 -0.003984 0.001629 0.002034 2C 1dxz 0.002415 0.001934 -0.000539 0.001117 0.002303 0.002983 2C 1dyz 0.002675 -0.001302 -0.001072 0.002277 -0.000330 0.002863 2C 1dx2y2 -0.003343 0.001319 -0.001386 -0.003076 -0.000709 -0.001667 2C 1dxy 0.001111 0.001793 0.000999 0.001584 0.002558 -0.000226 2C 2dz2 -0.043456 0.253429 -0.031487 0.167778 -0.205603 -0.009898 2C 2dxz -0.459372 0.087178 -0.244774 -0.222223 0.082258 0.147265 2C 2dyz -0.084750 0.023054 0.046093 -0.163835 -0.454154 -0.297730 2C 2dx2y2 0.126806 -0.257086 0.013722 -0.064799 -0.339586 -0.242373 2C 2dxy 0.060194 -0.188981 0.210342 0.163362 -0.067571 -0.394814 2C 1f0 0.008157 -0.003506 -0.006122 -0.003004 -0.013610 0.000474 2C 1f+1 0.001759 -0.001761 0.007057 0.006111 -0.008652 -0.010204 2C 1f-1 -0.001236 0.005073 -0.003440 0.002529 -0.005498 -0.000469 2C 1f+2 -0.011454 0.006222 0.000025 -0.001251 0.009313 0.005307 2C 1f-2 -0.004664 0.001868 -0.010608 0.002548 0.010868 0.016688 2C 1f+3 -0.018967 0.010889 -0.006527 -0.008706 -0.014257 0.000829 2C 1f-3 0.006130 -0.004306 0.006911 -0.001678 -0.015729 -0.014863 3C 1s -0.001478 0.000547 -0.000706 -0.001524 -0.000666 0.002375 3C 2s -0.005355 0.001534 -0.003077 -0.005464 -0.000374 0.005721 3C 3s 0.102159 -0.005859 0.035700 0.084952 -0.081814 -0.009885 3C 4s -0.580601 0.062791 -0.059959 -0.330367 0.636249 -0.031915 3C 5s 1.661936 -0.834458 0.500271 -0.181445 -0.363391 -1.172139 3C 1pz 0.044251 -0.001926 -0.017274 0.003292 0.064755 -0.031811 3C 1px -0.048096 0.003551 0.040277 0.095132 -0.041887 0.003230 3C 1py -0.034936 0.007462 -0.041513 -0.014144 0.072023 -0.017725 3C 2pz 0.057594 -0.045072 -0.031425 -0.056325 0.443739 -0.057054 3C 2px -0.220452 -0.120612 -0.082337 0.098327 -0.065567 -0.014337 3C 2py 0.078108 -0.039934 -0.113268 0.133980 0.163355 0.061390 3C 3pz 0.552912 -0.180277 0.072225 0.104148 0.230298 -0.114152 3C 3px 0.066326 -0.243628 0.072065 0.238216 -0.060683 -0.469974 3C 3py -0.153491 0.020300 -0.199774 0.175782 0.181057 0.206324 3C 1dz2 0.001772 -0.000960 0.002118 0.002703 -0.001655 0.006093 3C 1dxz -0.000093 0.001289 -0.000445 -0.001418 -0.000331 0.000994 3C 1dyz -0.000515 0.000431 -0.001074 -0.000340 -0.000093 -0.003107 3C 1dx2y2 0.001611 0.000581 -0.001033 0.000769 -0.003080 0.003279 3C 1dxy 0.002800 -0.000233 0.002257 0.003445 -0.003105 0.001208 3C 2dz2 0.012764 -0.040515 -0.162515 -0.033316 0.273806 -0.156580 3C 2dxz 0.328687 0.128479 0.063774 -0.268605 -0.008625 -0.092421 3C 2dyz 0.170628 0.016196 -0.020602 -0.033084 0.529539 0.113188 3C 2dx2y2 -0.133472 0.098637 0.140991 0.101860 -0.187447 -0.151870 3C 2dxy -0.123568 0.018886 -0.214614 -0.248848 -0.068244 0.079385 3C 1f0 -0.005906 0.004978 -0.001289 -0.002121 -0.007468 -0.002822 3C 1f+1 -0.013726 -0.001832 -0.000709 0.005051 -0.008451 -0.002395 3C 1f-1 0.001491 -0.002715 -0.002544 0.001348 0.017786 0.008208 3C 1f+2 0.007453 -0.000499 -0.001238 0.003700 -0.009591 0.000628 3C 1f-2 0.004961 0.002092 -0.000019 0.000832 -0.000849 0.000180 3C 1f+3 0.007487 0.004753 0.005887 -0.007782 -0.014191 -0.002023 3C 1f-3 0.013548 0.004783 -0.002105 -0.009605 0.016043 -0.001880 4C 1s 0.000874 0.002402 -0.007460 0.001546 0.008838 0.006014 4C 2s 0.001138 0.005642 -0.017067 0.003028 0.025085 0.016874 4C 3s 0.165395 0.029194 -0.026825 0.081795 -0.166672 0.008597 4C 4s -1.400582 -0.248270 0.370651 -0.580834 0.186373 -0.606575 4C 5s -0.672125 -1.376480 1.333257 -1.263863 -0.235951 -2.942454 4C 1pz 0.008254 -0.034667 -0.014969 -0.002473 0.029935 -0.015673 4C 1px 0.036430 0.075450 0.016052 0.025140 -0.003407 0.052065 4C 1py 0.032171 0.004687 0.007078 0.063375 -0.022208 0.016193 4C 2pz -0.449201 0.320766 -0.048836 -0.023519 -0.296139 -0.244788 4C 2px 0.248964 -0.619788 0.334076 -0.311594 -0.211056 0.128215 4C 2py -0.206403 -0.041009 0.086425 -0.119309 -0.255308 -0.093184 4C 3pz -2.046085 1.340200 -1.149942 0.371383 -0.762845 -0.603068 4C 3px 1.767529 -1.485205 0.702005 -0.973779 -0.236934 -0.053777 4C 3py -0.618690 0.229399 -0.397986 0.017987 -0.655542 -0.733834 4C 1dz2 -0.003691 0.004670 -0.004780 0.002404 -0.000452 0.001420 4C 1dxz 0.010799 -0.004952 -0.001522 -0.002365 -0.000699 0.004923 4C 1dyz -0.003378 0.001935 -0.002912 0.001358 -0.009606 -0.006317 4C 1dx2y2 -0.009043 0.000135 0.004067 -0.005734 0.000031 -0.001939 4C 1dxy 0.005023 -0.008310 0.003009 -0.002957 -0.003582 -0.005330 4C 2dz2 0.204406 0.098325 0.161956 0.191568 -0.016593 -0.044554 4C 2dxz 0.073712 -0.192765 0.064251 -0.033296 -0.002477 0.168349 4C 2dyz -0.269272 0.082227 0.084576 -0.254747 -0.065441 -0.106976 4C 2dx2y2 -0.174094 -0.070997 0.015521 0.051850 -0.220429 -0.278197 4C 2dxy -0.007649 -0.234221 0.261406 -0.066102 -0.028132 -0.206448 4C 1f0 0.008629 -0.005071 0.001527 0.004907 0.005286 0.007198 4C 1f+1 0.025433 0.004831 -0.006613 0.010608 -0.004002 0.015171 4C 1f-1 0.004343 0.009767 -0.009081 0.006909 0.000603 0.009153 4C 1f+2 -0.012219 0.009567 0.002872 -0.002123 -0.000583 -0.020960 4C 1f-2 0.008190 -0.004373 0.005828 -0.001149 -0.004545 0.001171 4C 1f+3 0.004622 0.016999 -0.000978 0.007458 0.000231 -0.004263 4C 1f-3 0.020931 0.017309 -0.009386 0.011980 0.002310 0.013032 5C 1s 0.003502 0.003516 -0.001212 -0.000620 0.012772 -0.003690 5C 2s 0.010209 0.009566 -0.003859 -0.001716 0.032925 -0.009165 5C 3s -0.150553 -0.061634 0.006031 -0.075146 -0.088064 0.001362 5C 4s 0.783302 -0.007021 0.244123 0.608741 -0.176797 0.238401 5C 5s -0.016307 0.018993 0.581300 1.728995 -1.379155 1.246759 5C 1pz -0.015232 -0.018559 0.032403 0.016301 0.002379 0.046365 5C 1px -0.020782 -0.013163 -0.094596 -0.044103 -0.014034 0.054594 5C 1py 0.044141 0.007793 0.017171 0.018629 -0.010119 0.049086 5C 2pz 0.105199 -0.097643 -0.105513 -0.135828 -0.180533 -0.101233 5C 2px -0.083338 0.224619 0.528703 0.426495 -0.150970 0.439726 5C 2py -0.126950 0.077572 -0.006397 0.091001 0.308891 0.067976 5C 3pz 0.298306 -0.300434 0.019568 -0.443874 0.049945 -0.702818 5C 3px -1.217137 0.454281 1.504707 1.171239 -0.011372 0.803913 5C 3py -1.060938 0.494802 -0.483717 -0.196732 -0.396738 0.444543 5C 1dz2 -0.003264 -0.000221 -0.003387 -0.004818 0.004096 0.001707 5C 1dxz -0.005258 -0.000084 0.006483 0.000153 0.001259 -0.000244 5C 1dyz -0.004796 0.000461 -0.002270 -0.001482 0.004776 0.002168 5C 1dx2y2 0.000958 0.001272 0.002787 0.006927 -0.005686 0.002870 5C 1dxy 0.009246 -0.000313 -0.004719 -0.004518 -0.000348 -0.001446 5C 2dz2 -0.191675 -0.064803 -0.207219 -0.182731 0.331294 -0.261203 5C 2dxz 0.132269 0.149147 0.098623 -0.007192 0.025521 -0.080742 5C 2dyz -0.054033 0.041283 0.101299 -0.040475 0.207783 0.098088 5C 2dx2y2 -0.007051 0.039270 0.139754 0.138862 0.013140 -0.082721 5C 2dxy -0.001226 -0.042945 -0.158076 -0.145935 -0.025672 -0.154676 5C 1f0 0.000931 0.002721 0.013402 0.008997 0.005571 0.003971 5C 1f+1 -0.007135 -0.002928 -0.012582 -0.011855 0.004404 -0.007654 5C 1f-1 -0.000061 0.003967 0.002980 0.002400 -0.006949 0.000420 5C 1f+2 -0.000593 -0.000906 -0.008402 0.002803 -0.004989 -0.001661 5C 1f-2 0.006380 -0.004887 -0.008536 0.001328 -0.005817 -0.005276 5C 1f+3 -0.018790 -0.007786 -0.015974 -0.017367 0.005747 -0.006351 5C 1f-3 0.007808 -0.000577 -0.001720 0.014579 -0.007621 0.003472 6C 1s -0.003449 0.003765 -0.001470 0.001446 0.012676 0.004359 6C 2s -0.010064 0.010205 -0.004373 0.003851 0.032684 0.010859 6C 3s 0.149715 -0.063639 -0.003162 0.069732 -0.095142 -0.003084 6C 4s -0.784648 -0.007291 0.309999 -0.624359 -0.121997 -0.262526 6C 5s 0.057360 -0.033402 0.731984 -1.806694 -1.219709 -1.368687 6C 1pz -0.015614 0.018219 -0.031299 0.016389 -0.005077 0.046320 6C 1px -0.020406 0.012553 0.096031 -0.044314 0.014161 0.055614 6C 1py 0.043229 -0.010055 -0.019765 0.019097 0.005837 0.048833 6C 2pz 0.119279 0.098442 0.104548 -0.122504 0.198885 -0.095451 6C 2px -0.112164 -0.220816 -0.547356 0.429609 0.091089 0.448251 6C 2py -0.139282 -0.079681 0.012818 0.069958 -0.320982 0.056422 6C 3pz 0.348873 0.300252 0.020968 -0.440002 0.006016 -0.728148 6C 3px -1.286721 -0.443121 -1.503605 1.166949 -0.119474 0.798453 6C 3py -1.096890 -0.476892 0.457997 -0.177506 0.399726 0.513152 6C 1dz2 0.003329 -0.000295 -0.003513 0.005122 0.003779 -0.001451 6C 1dxz 0.005358 -0.000016 0.006111 -0.000060 0.001242 0.000309 6C 1dyz 0.004930 0.000296 -0.002115 0.001834 0.004600 -0.001913 6C 1dx2y2 -0.000722 0.001262 0.003273 -0.007281 -0.004963 -0.003373 6C 1dxy -0.009593 -0.000094 -0.004613 0.004538 -0.000773 0.001503 6C 2dz2 0.191565 -0.073252 -0.214214 0.204362 0.303173 0.278916 6C 2dxz -0.130084 0.157483 0.096800 0.007615 0.022259 0.087608 6C 2dyz 0.060202 0.046331 0.086703 0.053985 0.210678 -0.088213 6C 2dx2y2 0.009917 0.032418 0.141149 -0.138872 0.019396 0.080037 6C 2dxy -0.010399 -0.036165 -0.172426 0.139552 -0.045862 0.152109 6C 1f0 0.000273 -0.002789 -0.013565 0.008526 -0.006636 0.003637 6C 1f+1 -0.006875 0.002707 0.013482 -0.012011 -0.002967 -0.008083 6C 1f-1 -0.000174 -0.003969 -0.003053 0.002827 0.006613 0.000837 6C 1f+2 -0.000455 0.000961 0.008254 0.003156 0.004926 -0.001316 6C 1f-2 0.007072 0.004936 0.008033 0.001840 0.005987 -0.004798 6C 1f+3 -0.018433 0.008010 0.017155 -0.017872 -0.003873 -0.006656 6C 1f-3 0.007695 0.000891 0.000504 0.014992 0.006444 0.004186 7C 1s -0.000944 0.002457 -0.007291 -0.000904 0.009110 -0.005461 7C 2s -0.001314 0.005697 -0.016644 -0.001218 0.025756 -0.015285 7C 3s -0.165013 0.038360 -0.025790 -0.093525 -0.158068 -0.021434 7C 4s 1.401774 -0.314417 0.351626 0.591127 0.111546 0.627402 7C 5s 0.645831 -1.477672 1.306270 1.259464 -0.443458 2.944000 7C 1pz 0.007818 0.032890 0.017291 -0.004112 -0.028091 -0.015578 7C 1px 0.037163 -0.076765 -0.018462 0.024915 -0.002894 0.052389 7C 1py 0.032318 -0.005936 -0.008745 0.064566 0.016052 0.018043 7C 2pz -0.466532 -0.310120 0.064953 -0.002273 0.312750 -0.232216 7C 2px 0.278371 0.612562 -0.351135 -0.294258 0.215926 0.135936 7C 2py -0.206889 0.044921 -0.082992 -0.100459 0.266909 -0.083892 7C 3pz -2.097650 -1.318766 1.187254 0.433616 0.786430 -0.555092 7C 3px 1.848704 1.469630 -0.773541 -0.955093 0.282897 -0.055994 7C 3py -0.618424 -0.244724 0.423500 0.068704 0.675859 -0.695160 7C 1dz2 0.003868 0.004788 -0.005022 -0.002360 -0.000465 -0.001475 7C 1dxz -0.011096 -0.004714 -0.001155 0.002254 -0.000600 -0.004939 7C 1dyz 0.003450 0.001876 -0.002874 -0.001957 -0.009662 0.005810 7C 1dx2y2 0.009100 -0.000448 0.004029 0.005758 -0.000587 0.002148 7C 1dxy -0.005379 -0.008174 0.003075 0.002556 -0.004026 0.005240 7C 2dz2 -0.198729 0.102125 0.163127 -0.195268 0.000203 0.046983 7C 2dxz -0.080189 -0.190368 0.072144 0.034514 0.007869 -0.170864 7C 2dyz 0.271068 0.066107 0.082116 0.249325 -0.090516 0.107625 7C 2dx2y2 0.177408 -0.079050 0.013474 -0.065746 -0.224679 0.266635 7C 2dxy 0.003612 -0.229910 0.255603 0.060849 -0.042531 0.209772 7C 1f0 0.008620 0.004336 -0.001176 0.004498 -0.005960 0.007026 7C 1f+1 0.025646 -0.005868 0.005970 0.010861 0.002279 0.015634 7C 1f-1 0.003972 -0.010193 0.009205 0.006852 -0.001508 0.009353 7C 1f+2 -0.012712 -0.008656 -0.002519 -0.002074 0.001685 -0.021234 7C 1f-2 0.008535 0.004092 -0.006205 -0.000757 0.004422 0.001344 7C 1f+3 0.004242 -0.016922 0.000886 0.007410 -0.000502 -0.004484 7C 1f-3 0.020592 -0.017985 0.008861 0.011786 -0.003785 0.013190 8C 1s 0.001552 0.000511 -0.000610 0.001474 -0.000726 -0.002443 8C 2s 0.005546 0.001419 -0.002956 0.005437 -0.000667 -0.005827 8C 3s -0.103996 -0.005039 0.043110 -0.090071 -0.074690 0.006753 8C 4s 0.598345 0.060819 -0.105469 0.370557 0.604670 0.059240 8C 5s -1.787135 -0.804153 0.428928 0.141602 -0.396271 1.229697 8C 1pz 0.044117 0.001590 0.015588 -0.000564 -0.063091 -0.037898 8C 1px -0.051098 0.000114 -0.041422 0.097276 0.036341 0.007358 8C 1py -0.036653 -0.005368 0.041899 -0.018744 -0.068520 -0.019419 8C 2pz 0.053248 0.047213 0.030958 -0.083636 -0.432047 -0.088800 8C 2px -0.227068 0.132745 0.087246 0.100031 0.065554 -0.002515 8C 2py 0.070501 0.045973 0.094136 0.122571 -0.170982 0.056436 8C 3pz 0.562438 0.170112 -0.081042 0.091389 -0.237125 -0.147519 8C 3px 0.070808 0.254586 -0.057567 0.238736 0.072243 -0.462456 8C 3py -0.175808 -0.006828 0.171913 0.159466 -0.188163 0.215467 8C 1dz2 -0.001739 -0.000849 0.002178 -0.002779 -0.001149 -0.006165 8C 1dxz 0.000161 0.001388 -0.000544 0.001364 -0.000403 -0.000886 8C 1dyz 0.000497 0.000368 -0.000979 0.000350 -0.000266 0.003279 8C 1dx2y2 -0.001620 0.000616 -0.000909 -0.000918 -0.002893 -0.003400 8C 1dxy -0.002839 -0.000200 0.002353 -0.003682 -0.002760 -0.001429 8C 2dz2 -0.015214 -0.043362 -0.160327 0.055817 0.261446 0.172874 8C 2dxz -0.340972 0.146079 0.065900 0.263603 -0.031096 0.106501 8C 2dyz -0.166510 0.022506 -0.014279 0.067958 0.527921 -0.082281 8C 2dx2y2 0.135306 0.093931 0.132293 -0.118388 -0.183393 0.131350 8C 2dxy 0.123878 0.025630 -0.222327 0.241391 -0.082710 -0.086070 8C 1f0 -0.006043 -0.004974 0.001781 -0.001485 0.007578 -0.001930 8C 1f+1 -0.013789 0.002421 0.000976 0.005580 0.008360 -0.001429 8C 1f-1 0.001144 0.002700 0.002466 0.000141 -0.018087 0.007326 8C 1f+2 0.007632 0.000637 0.000615 0.004235 0.008932 0.001213 8C 1f-2 0.005113 -0.002249 -0.000477 0.000957 0.001091 -0.000027 8C 1f+3 0.007869 -0.005145 -0.005587 -0.006603 0.014757 -0.001611 8C 1f-3 0.013901 -0.005364 0.001943 -0.010575 -0.015211 -0.003270 9C 1s -0.003350 -0.001221 0.002430 0.000934 0.001660 -0.002996 9C 2s -0.010796 -0.002854 0.005703 0.001276 0.005845 -0.009441 9C 3s 0.155549 0.028203 0.028639 0.059809 -0.078144 0.118372 9C 4s -0.930834 -0.283338 -0.215844 -0.345836 0.491260 -0.512989 9C 5s 3.980680 2.661422 -2.056617 -0.658569 -2.406414 0.584554 9C 1pz -0.033392 -0.030161 -0.001400 0.032196 0.045813 -0.066353 9C 1px 0.049662 0.066163 -0.045089 -0.018956 0.105634 -0.086666 9C 1py -0.070751 -0.028787 0.022288 -0.072748 0.041459 -0.003371 9C 2pz 0.140938 -0.036728 0.040633 0.224421 0.035187 -0.053243 9C 2px 0.208747 0.087084 -0.115691 0.138371 0.355565 -0.206477 9C 2py -0.199052 -0.160444 0.313376 -0.125318 0.123569 0.204151 9C 3pz -0.503569 -0.544438 0.288457 0.306207 0.445497 -0.128511 9C 3px -0.102461 0.091825 0.098287 0.166508 0.474258 -0.442958 9C 3py -0.686055 -0.366104 0.502567 -0.190865 0.414105 0.083234 9C 1dz2 0.000144 -0.001680 -0.003116 0.004043 0.001379 -0.001975 9C 1dxz -0.002464 0.001915 -0.000455 -0.000837 0.002486 -0.002983 9C 1dyz -0.002710 -0.001201 -0.000973 -0.002263 0.000026 -0.002966 9C 1dx2y2 0.003335 0.001165 -0.001471 0.003013 -0.001041 0.001591 9C 1dxy -0.001117 0.001857 0.000988 -0.001331 0.002674 0.000309 9C 2dz2 0.042970 0.248441 -0.024171 -0.182273 -0.186990 0.002649 9C 2dxz 0.469015 0.075795 -0.251659 0.226605 0.069632 -0.150401 9C 2dyz 0.090295 0.025948 0.039263 0.129346 -0.479913 0.276176 9C 2dx2y2 -0.134973 -0.256032 0.019626 0.042436 -0.347739 0.218463 9C 2dxy -0.057816 -0.183220 0.193647 -0.165484 -0.081161 0.398225 9C 1f0 0.008482 0.003752 0.005218 -0.002010 0.013502 0.001155 9C 1f+1 0.001925 0.001483 -0.006712 0.006707 0.008641 -0.009815 9C 1f-1 -0.001447 -0.005253 0.003539 0.002837 0.005619 -0.000343 9C 1f+2 -0.012035 -0.005909 0.000007 -0.001984 -0.008756 0.004303 9C 1f-2 -0.005041 -0.001964 0.010479 0.001477 -0.011682 0.016416 9C 1f+3 -0.019434 -0.010260 0.006763 -0.007607 0.014457 0.001866 9C 1f-3 0.005829 0.003752 -0.006808 -0.000664 0.016979 -0.014378 10H 1s 0.013415 -0.017873 0.007971 -0.008392 -0.008844 -0.016268 10H 2s -0.488708 0.358436 -0.152465 -0.074928 0.587780 0.359168 10H 3s 0.421378 -0.138535 0.149708 0.045777 0.238529 0.160944 10H 1pz -0.014170 -0.011319 0.004490 -0.015756 0.016997 0.001479 10H 1px 0.057078 -0.037852 0.018219 0.006118 -0.026917 -0.020655 10H 1py -0.013845 -0.001275 -0.006432 -0.003267 0.004172 -0.000082 11H 1s 0.013245 -0.006076 -0.000250 -0.001601 0.010585 0.011556 11H 2s 0.653741 -0.361480 0.626110 0.278562 -0.393935 -0.723542 11H 3s 0.609192 -0.329593 0.135211 0.035273 0.381776 0.251573 11H 1pz -0.006968 0.009186 0.017004 0.003501 -0.013531 -0.020818 11H 1px 0.027667 -0.011180 0.030069 0.009636 -0.018104 -0.031020 11H 1py -0.022147 0.017692 -0.027142 -0.014374 0.020212 0.037674 12H 1s 0.009384 -0.002370 0.007833 0.006704 0.014864 -0.004296 12H 2s -0.121121 0.023115 -0.145788 -0.490739 -0.490220 0.011112 12H 3s 0.599510 -0.485096 0.081706 -0.018761 0.304237 0.095559 12H 1pz 0.005919 0.015648 0.007299 0.029103 0.013929 0.012706 12H 1px -0.000173 0.012654 -0.004084 0.002181 -0.014006 0.008980 12H 1py -0.026808 0.018701 -0.021368 -0.016783 -0.040171 0.003289 13H 1s -0.006509 0.001482 0.012291 0.019491 -0.003068 0.011093 13H 2s 0.634546 0.127924 0.073267 -0.276607 0.413826 0.047809 13H 3s -0.138365 0.081487 -0.116205 -0.036296 0.062350 0.155051 13H 1pz 0.035686 0.002569 0.005336 -0.010968 0.017228 0.000424 13H 1px -0.042455 -0.006350 -0.000915 0.012509 -0.013867 0.001033 13H 1py 0.001450 -0.012550 -0.023763 -0.010069 -0.003380 0.003488 14H 1s -0.000341 0.005807 0.002189 -0.002049 0.000984 0.001675 14H 2s -0.281057 -0.183136 -0.052153 0.460922 0.195346 0.089172 14H 3s -0.123087 0.015308 0.126888 0.093098 0.140830 -0.053329 14H 1pz -0.008465 -0.011460 -0.005413 0.010043 0.004943 0.008858 14H 1px -0.005458 -0.021560 -0.018738 0.012179 0.007037 0.008026 14H 1py -0.012594 -0.000550 0.020955 0.029549 0.009368 -0.010098 15H 1s -0.001836 0.000592 0.005984 0.002968 0.017746 0.004105 15H 2s -0.277425 0.138029 0.238324 0.050932 -0.968710 0.006234 15H 3s -0.376947 0.188249 -0.059383 -0.089258 0.382513 0.037662 15H 1pz 0.015605 -0.010851 -0.016098 -0.006444 0.054279 0.002907 15H 1px -0.017822 0.001733 -0.001034 -0.001083 -0.010720 -0.003015 15H 1py -0.000534 -0.003639 0.007333 0.008079 0.052026 0.023425 16H 1s -0.005239 0.003746 -0.000753 0.007379 -0.004129 0.005007 16H 2s 0.010042 -0.160995 0.049481 0.062086 0.034072 -0.043590 16H 3s 0.017061 -0.157064 0.066999 0.126389 -0.023841 0.012388 16H 1pz -0.004673 -0.003116 0.022217 0.000386 0.016486 0.001187 16H 1px -0.009754 0.049793 -0.000354 0.021269 -0.036149 -0.038896 16H 1py 0.003224 -0.006104 -0.033002 0.009608 -0.026670 -0.023142 17H 1s 0.003417 -0.005212 0.002458 -0.010698 0.005345 0.003160 17H 2s 0.102585 -0.025224 -0.246843 0.029510 -0.210725 -0.256930 17H 3s 0.059894 0.038478 -0.085117 -0.082490 -0.121664 0.115082 17H 1pz -0.004148 -0.039204 -0.029878 0.026580 -0.011791 -0.003095 17H 1px 0.002306 -0.001132 0.052961 -0.032314 0.034196 0.021346 17H 1py 0.012307 -0.022214 -0.003531 -0.001425 -0.004845 -0.014701 18H 1s -0.003378 -0.005217 0.002898 0.011405 0.005514 -0.003396 18H 2s -0.103970 -0.023814 -0.239573 -0.047626 -0.221554 0.241925 18H 3s -0.058809 0.040217 -0.066347 0.075503 -0.116197 -0.125919 18H 1pz -0.002819 0.038497 0.030125 0.026399 0.010196 -0.001313 18H 1px 0.001487 0.001701 -0.053785 -0.035669 -0.034151 0.020025 18H 1py 0.012988 0.023422 0.003508 -0.001301 0.006060 -0.013649 19H 1s 0.005309 0.003690 0.000054 -0.007606 -0.002902 -0.005650 19H 2s -0.009012 -0.165082 0.049748 -0.060078 0.032798 0.042003 19H 3s -0.017710 -0.157097 0.071917 -0.124837 -0.011665 -0.015819 19H 1pz -0.005186 0.003508 -0.021675 -0.000123 -0.016874 0.000584 19H 1px -0.010405 -0.049710 -0.001015 0.024390 0.035283 -0.037555 19H 1py 0.003256 0.005154 0.031909 0.010345 0.027997 -0.022856 20H 1s 0.002437 0.000865 0.006114 -0.001820 0.017955 -0.002580 20H 2s 0.274366 0.140082 0.226821 -0.113817 -0.954629 -0.066055 20H 3s 0.400603 0.185181 -0.069131 0.113925 0.373412 -0.023790 20H 1pz 0.015316 0.011115 0.015166 -0.010072 -0.053259 -0.000264 20H 1px -0.018058 -0.001351 0.001419 -0.000657 0.011368 -0.002650 20H 1py -0.002137 0.003346 -0.007818 0.004803 -0.052909 0.019954 21H 1s 0.000841 0.006038 0.002326 0.001953 0.000930 -0.001298 21H 2s 0.306142 -0.209581 -0.032632 -0.440536 0.219023 -0.085347 21H 3s 0.138695 0.017815 0.122006 -0.080285 0.143886 0.054165 21H 1pz -0.008744 0.012541 0.004713 0.009482 -0.005636 0.009044 21H 1px -0.006010 0.022499 0.017594 0.011239 -0.007663 0.007989 21H 1py -0.013753 0.001748 -0.021182 0.028641 -0.010594 -0.010598 22H 1s 0.007374 0.001340 0.012488 -0.019550 -0.001241 -0.011909 22H 2s -0.645224 0.153046 0.092911 0.299324 0.400165 0.003296 22H 3s 0.150236 0.081590 -0.110200 0.040105 0.067453 -0.158064 22H 1pz 0.036110 -0.003308 -0.006685 -0.011665 -0.016494 -0.001651 22H 1px -0.043973 0.007711 0.001942 0.013291 0.013402 0.003186 22H 1py 0.001359 0.012420 0.023883 -0.009640 0.003768 0.004264 23H 1s -0.009769 -0.002468 0.008045 -0.005219 0.015329 0.004861 23H 2s 0.104304 -0.002056 -0.116765 0.451129 -0.526527 -0.027252 23H 3s -0.624518 -0.473546 0.091645 0.039223 0.307892 -0.088894 23H 1pz 0.004879 -0.016238 -0.006799 0.027831 -0.017104 0.011792 23H 1px 0.000777 -0.011677 0.002439 0.003377 0.012980 0.009241 23H 1py -0.026622 -0.017224 0.020147 -0.013257 0.041422 0.004765 24H 1s -0.013423 -0.006251 0.000377 0.002659 0.010845 -0.010989 24H 2s -0.661882 -0.334628 0.618674 -0.310313 -0.391346 0.712920 24H 3s -0.619794 -0.320092 0.154274 -0.001408 0.394553 -0.232326 24H 1pz -0.007533 -0.009944 -0.015574 0.005062 0.014037 -0.020117 24H 1px 0.027917 0.009430 -0.029930 0.011630 0.018356 -0.030844 24H 1py -0.022118 -0.016857 0.026556 -0.015665 -0.020136 0.036843 25H 1s -0.014292 -0.018030 0.008635 0.007737 -0.009728 0.016078 25H 2s 0.510670 0.343745 -0.169860 0.125866 0.587752 -0.335004 25H 3s -0.430878 -0.139994 0.163751 -0.022506 0.253533 -0.146865 25H 1pz -0.015566 0.010882 -0.003130 -0.016847 -0.015455 0.000943 25H 1px 0.059105 0.036386 -0.020043 0.008271 0.026440 -0.019387 25H 1py -0.012790 0.002580 0.006302 -0.003775 -0.003344 -0.000495 26O 1s -0.000319 0.017228 -0.008086 0.012943 -0.003273 -0.005820 26O 2s 0.001139 0.038245 -0.017143 0.029296 -0.008632 -0.012801 26O 3s -0.042126 -0.000485 -0.014524 -0.007167 0.020277 -0.016610 26O 4s 0.200750 -0.700162 0.445998 -0.535868 0.033055 0.360820 26O 5s -0.195378 2.680730 -1.680395 2.064965 0.393047 -0.009738 26O 1pz 0.003244 0.022438 0.003111 0.024657 0.043983 0.066206 26O 1px 0.046563 -0.002920 0.048813 -0.006634 0.012682 0.047032 26O 1py 0.016723 0.014980 0.007857 0.023949 0.017689 0.053806 26O 2pz -0.057213 0.086316 -0.026451 0.075844 0.109556 0.199869 26O 2px 0.037011 -0.197947 0.177574 -0.113448 0.022960 0.021864 26O 2py -0.033795 -0.014951 0.033940 0.059776 0.063905 0.101431 26O 3pz 0.450113 -0.506505 0.182620 -0.385465 -0.478953 -1.252026 26O 3px -0.831124 -0.246421 0.166578 -0.535107 -0.787727 -0.847023 26O 3py -0.006427 -0.484362 -0.050996 -0.471082 -0.814815 -0.933248 26O 1dz2 0.001530 0.002150 -0.002768 0.003740 0.002307 0.003151 26O 1dxz 0.003712 -0.006342 0.000793 0.000283 0.001904 -0.001617 26O 1dyz -0.002834 0.000214 0.003298 -0.001253 0.001888 0.001658 26O 1dx2y2 -0.001957 -0.003357 0.002653 -0.003585 -0.004489 -0.003789 26O 1dxy -0.002265 -0.006096 0.001852 -0.002693 -0.005042 -0.002546 26O 2dz2 -0.012858 -0.021483 0.044195 -0.022571 -0.018761 -0.023016 26O 2dxz 0.041063 -0.010210 -0.002669 0.011769 0.000945 -0.010532 26O 2dyz -0.006642 -0.005064 -0.023650 -0.002169 -0.021271 -0.021664 26O 2dx2y2 0.026608 0.028522 -0.009175 0.018980 -0.003487 0.015892 26O 2dxy 0.041346 0.033303 0.012076 0.024901 0.004114 0.008117 26O 1f0 -0.000147 0.002674 0.000753 -0.000136 -0.000944 0.000563 26O 1f+1 0.001857 0.003201 -0.002845 0.001347 0.000108 0.001643 26O 1f-1 0.002783 0.002183 -0.001590 0.000860 0.000606 0.000259 26O 1f+2 -0.001918 -0.002118 0.000793 -0.001912 0.001092 -0.000269 26O 1f-2 0.002040 -0.000855 -0.000119 0.001185 0.000956 -0.000093 26O 1f+3 0.001424 0.000043 -0.001162 0.002306 -0.000643 0.000284 26O 1f-3 0.002459 0.003206 -0.001546 0.003827 -0.000177 0.000537 27O 1s -0.000109 -0.009743 -0.022049 -0.002353 -0.004278 -0.004652 27O 2s -0.001161 -0.021729 -0.047510 -0.005665 -0.010472 -0.009377 27O 3s 0.021860 0.000762 -0.028412 0.015708 0.010603 -0.017523 27O 4s -0.098470 0.384349 1.025704 0.049821 0.102532 0.346328 27O 5s 0.378086 -1.159870 -3.542267 -1.404148 0.238339 -1.795659 27O 1pz -0.005407 -0.006545 -0.021322 -0.039288 0.008772 0.001252 27O 1px -0.026894 0.026286 -0.009631 -0.055922 -0.015889 0.028393 27O 1py -0.009039 -0.015775 0.022419 0.074409 -0.028676 0.009823 27O 2pz 0.024915 -0.019830 -0.080314 -0.160147 0.033153 -0.013022 27O 2px -0.010856 0.132582 0.195063 0.003862 -0.044770 0.114105 27O 2py -0.105931 -0.025435 0.015237 0.157511 -0.096172 0.001689 27O 3pz -0.302780 -0.173569 0.109626 0.725269 0.009894 0.265052 27O 3px 0.293350 -0.235072 0.411553 1.292993 -0.595248 0.559303 27O 3py 0.627054 -0.000397 -0.118840 -1.006249 0.675076 0.085701 27O 1dz2 -0.001745 0.001736 -0.004077 -0.005074 0.002105 -0.005665 27O 1dxz -0.003848 -0.001147 -0.000033 0.000118 0.002241 0.001872 27O 1dyz -0.001991 -0.000084 0.002617 0.001723 0.001570 -0.000138 27O 1dx2y2 -0.001192 0.000785 0.004363 0.006037 -0.004481 0.002448 27O 1dxy 0.000961 -0.001895 -0.003475 -0.003080 0.001262 -0.000382 27O 2dz2 0.011710 -0.009261 0.008419 -0.007257 0.030105 -0.004625 27O 2dxz -0.012343 0.013419 -0.002471 0.000692 -0.001150 -0.002136 27O 2dyz -0.006825 0.013487 -0.004540 -0.005580 0.016785 -0.000936 27O 2dx2y2 -0.032679 -0.017999 -0.047939 -0.061740 0.031499 -0.025261 27O 2dxy 0.020420 0.020399 0.007185 0.006910 -0.008905 0.015926 27O 1f0 0.001854 0.000506 -0.000844 -0.000146 -0.000879 -0.001085 27O 1f+1 -0.000545 -0.000974 -0.002671 -0.002804 -0.000046 0.000388 27O 1f-1 -0.000225 0.001051 0.000349 0.001064 -0.000480 -0.000097 27O 1f+2 -0.000359 -0.000270 0.000811 -0.000064 -0.000054 -0.000046 27O 1f-2 0.001640 0.001180 0.001157 0.000862 -0.001082 -0.000963 27O 1f+3 -0.002762 -0.001975 -0.003209 -0.002656 0.002465 -0.002914 27O 1f-3 0.001380 0.001720 0.003867 0.001106 0.000164 0.000124 28O 1s 0.009653 -0.022926 0.006719 -0.004396 0.005812 -0.014893 28O 2s 0.021200 -0.050426 0.015072 -0.009730 0.010606 -0.034309 28O 3s 0.003351 -0.015560 0.001295 -0.004329 0.042392 0.002986 28O 4s -0.500956 1.008454 -0.283795 0.187572 -0.432910 0.544602 28O 5s 3.009441 -3.170052 1.081881 -0.571687 1.441463 0.158292 28O 1pz 0.058351 -0.033087 0.006683 -0.038564 -0.020030 0.049854 28O 1px 0.030282 -0.009568 -0.004788 -0.004154 0.024999 0.014834 28O 1py 0.037841 -0.035076 0.016819 0.013887 -0.011682 0.021002 28O 2pz 0.114596 0.021680 0.017713 -0.060676 -0.068438 0.041307 28O 2px 0.199359 -0.181141 0.037516 -0.030328 0.095704 0.056919 28O 2py 0.109800 -0.080637 0.042581 -0.023125 -0.028361 0.029164 28O 3pz -1.958006 0.405253 -0.448221 0.123344 0.189049 -1.135500 28O 3px 0.442632 -0.188482 -0.081190 0.013907 -0.128932 0.765744 28O 3py -0.538215 0.230072 0.058701 0.416665 0.297524 -0.450573 28O 1dz2 -0.003699 0.003461 -0.001456 0.002819 0.000110 -0.001567 28O 1dxz 0.010570 -0.005817 0.004864 0.000398 0.001461 0.004148 28O 1dyz 0.003148 -0.001376 0.001732 0.000136 0.000380 -0.002157 28O 1dx2y2 -0.003655 0.003602 0.002499 0.002414 -0.000231 -0.003015 28O 1dxy -0.001673 -0.000613 -0.001317 -0.004027 -0.000620 0.002163 28O 2dz2 0.015191 -0.005143 0.000962 0.036041 -0.015559 -0.004559 28O 2dxz -0.030287 0.027773 -0.010851 0.007895 -0.003955 -0.048487 28O 2dyz 0.015943 0.004789 0.025561 0.003754 0.008410 -0.017566 28O 2dx2y2 0.037684 -0.028148 -0.012191 0.025398 -0.021581 0.008458 28O 2dxy -0.008777 0.025199 0.027781 -0.004331 0.009940 -0.018373 28O 1f0 0.001460 -0.001492 -0.001124 0.000084 0.000217 0.000898 28O 1f+1 0.001914 -0.003687 0.000692 0.000181 0.000834 0.000678 28O 1f-1 -0.002450 -0.000488 -0.000418 0.000637 0.000680 -0.000902 28O 1f+2 -0.002151 0.002248 0.000157 -0.000207 -0.000808 -0.001837 28O 1f-2 -0.002019 -0.000102 -0.000533 -0.001886 0.000959 0.000241 28O 1f+3 -0.002646 0.000861 0.001049 -0.002094 0.001305 -0.000691 28O 1f-3 -0.000851 -0.001322 -0.000647 -0.000813 0.001383 0.001166 29O 1s 0.000476 0.001822 0.002049 -0.000745 0.003674 0.008067 29O 2s 0.001680 0.004387 0.004958 -0.001877 0.007793 0.016459 29O 3s -0.009993 -0.002601 -0.005782 0.004226 0.006739 0.029089 29O 4s 0.037306 -0.083862 -0.081256 0.016983 -0.182368 -0.500847 29O 5s -0.135553 0.249933 0.272752 -0.069966 0.373832 1.158877 29O 1pz 0.006023 0.007294 -0.004733 -0.011138 -0.000832 0.009799 29O 1px 0.015489 0.009511 0.006467 -0.010533 0.007968 0.018688 29O 1py 0.017837 -0.001867 -0.000729 0.009573 0.012049 0.007594 29O 2pz 0.004564 0.032066 -0.036699 -0.019202 -0.033244 -0.033931 29O 2px 0.009670 0.005998 0.000287 -0.019335 0.038939 0.100921 29O 2py 0.006013 0.050636 0.032299 -0.003526 0.014901 -0.034914 29O 3pz -0.031975 -0.237426 0.372845 0.070652 0.356584 0.387820 29O 3px -0.077108 -0.035778 0.122380 0.014675 0.074024 -0.323912 29O 3py 0.124699 -0.262666 -0.238345 0.127337 -0.145714 0.006191 29O 1dz2 -0.000778 -0.002458 -0.000674 0.001720 -0.001196 -0.001353 29O 1dxz 0.001565 -0.000422 -0.001460 -0.001247 -0.000183 0.001515 29O 1dyz -0.001317 -0.001048 0.003213 0.000141 0.002493 0.001934 29O 1dx2y2 0.000393 0.000201 0.000001 -0.001291 0.001022 -0.000952 29O 1dxy 0.000751 -0.000873 0.001476 0.001549 0.001593 0.002204 29O 2dz2 0.002771 0.004769 -0.051951 0.019651 -0.037250 -0.020862 29O 2dxz 0.003608 -0.067120 0.037103 -0.010742 0.062113 0.053329 29O 2dyz -0.001343 0.015136 0.037667 -0.021864 0.016351 -0.002083 29O 2dx2y2 0.011219 0.003781 0.034470 -0.005541 -0.005431 -0.025413 29O 2dxy 0.023511 -0.060255 -0.055236 0.020863 -0.005751 0.016664 29O 1f0 0.000338 -0.000214 -0.000296 0.000359 -0.000469 -0.001824 29O 1f+1 -0.000062 -0.001480 0.001770 -0.000690 0.001655 0.001862 29O 1f-1 0.000858 -0.001515 -0.000516 0.000322 0.000605 -0.000011 29O 1f+2 0.000020 0.001436 -0.001268 0.000268 -0.001183 0.000529 29O 1f-2 0.000465 0.000621 -0.001631 0.000854 -0.001008 -0.000690 29O 1f+3 -0.000204 0.000115 0.001814 -0.000532 0.000645 0.000710 29O 1f-3 -0.000014 -0.000686 -0.000340 -0.000383 0.000008 -0.000539 30O 1s -0.003618 0.009635 0.017472 0.017237 0.003996 -0.000008 30O 2s -0.009533 0.020979 0.039375 0.038584 0.007096 -0.000612 30O 3s 0.026405 0.010464 -0.006898 0.007723 0.028749 0.009161 30O 4s 0.067973 -0.452391 -0.657045 -0.754301 -0.319580 -0.078442 30O 5s -0.963112 1.551492 1.906316 1.838107 1.307160 0.779527 30O 1pz -0.045120 -0.001766 0.015507 -0.029966 -0.022314 0.018696 30O 1px -0.023371 0.008760 0.009868 0.005963 0.035186 0.021032 30O 1py 0.039221 0.021848 -0.002882 0.004706 0.009811 0.000961 30O 2pz -0.134122 -0.026806 -0.029764 -0.044946 -0.076545 -0.004506 30O 2px -0.125592 0.083107 0.160479 0.078760 0.138923 0.059427 30O 2py 0.124290 0.056173 0.041724 0.010889 0.046910 0.007216 30O 3pz 1.197939 0.047735 0.019138 0.168090 -0.163032 0.060004 30O 3px 0.194923 0.111335 -0.247225 -0.043831 -0.054896 0.230887 30O 3py -0.881404 0.082235 0.039270 -0.109387 -0.193396 0.403760 30O 1dz2 0.003502 0.000300 0.001292 0.002655 -0.000051 -0.002085 30O 1dxz -0.005693 0.000060 0.001426 0.001852 0.004880 -0.001700 30O 1dyz -0.000547 0.002560 0.002019 0.000131 0.002586 0.003137 30O 1dx2y2 0.002286 -0.000746 0.003210 0.000521 -0.000081 -0.001740 30O 1dxy 0.001665 -0.003474 -0.004212 -0.001936 0.001344 -0.003271 30O 2dz2 0.011651 -0.000727 -0.003196 0.006988 0.000641 -0.019863 30O 2dxz 0.008245 0.023776 -0.030033 0.001294 -0.015617 -0.023885 30O 2dyz 0.032119 -0.022572 -0.004879 -0.006591 0.009452 0.013232 30O 2dx2y2 -0.004409 0.014029 0.007618 0.004175 -0.001292 -0.017320 30O 2dxy -0.017793 0.009387 0.014812 -0.002790 0.014766 0.011150 30O 1f0 -0.002797 -0.000890 0.000275 -0.000785 -0.000844 0.002055 30O 1f+1 -0.000691 0.000416 0.000578 -0.000197 0.001424 -0.000588 30O 1f-1 -0.000442 -0.000411 -0.000075 -0.000491 0.000599 -0.001118 30O 1f+2 0.001128 0.000296 -0.000276 -0.000373 -0.002092 -0.000756 30O 1f-2 0.000450 -0.001039 -0.002598 -0.001298 -0.002022 0.000090 30O 1f+3 0.002090 0.000738 0.003798 0.001228 0.001432 0.001277 30O 1f-3 0.001348 -0.000495 -0.002546 -0.000131 -0.002033 0.000248 31O 1s 0.004445 0.009530 0.017318 -0.016882 0.005405 0.000268 31O 2s 0.011362 0.020699 0.038986 -0.037921 0.010206 0.001106 31O 3s -0.026153 0.011191 -0.005929 -0.005699 0.030145 -0.008002 31O 4s -0.104458 -0.452180 -0.653703 0.728243 -0.388304 0.060932 31O 5s 1.102330 1.558279 1.879909 -1.728745 1.512100 -0.694080 31O 1pz -0.044615 0.002778 -0.014616 -0.028421 0.024313 0.020912 31O 1px -0.024841 -0.009411 -0.008917 0.003301 -0.036782 0.018959 31O 1py 0.040187 -0.023353 0.002851 0.003711 -0.011188 -0.000958 31O 2pz -0.130400 0.031142 0.032153 -0.039765 0.082451 0.002571 31O 2px -0.135967 -0.083085 -0.156511 0.067865 -0.147238 0.049237 31O 2py 0.125444 -0.059446 -0.042226 0.006942 -0.051450 0.001986 31O 3pz 1.217562 -0.078005 -0.039877 0.188533 0.141414 0.049532 31O 3px 0.189798 -0.120907 0.248986 -0.041075 0.031611 0.246002 31O 3py -0.913202 -0.082043 -0.020938 -0.095577 0.191514 0.421387 31O 1dz2 -0.003545 0.000514 0.001118 -0.002647 0.000064 0.002015 31O 1dxz 0.005934 -0.000176 0.001377 -0.001433 0.004925 0.001847 31O 1dyz 0.000802 0.002605 0.002043 0.000067 0.002857 -0.002908 31O 1dx2y2 -0.002301 -0.000653 0.003311 -0.000503 -0.000138 0.001884 31O 1dxy -0.001924 -0.003584 -0.004160 0.002008 0.001034 0.003326 31O 2dz2 -0.012373 -0.000939 -0.003540 -0.007393 0.000242 0.019492 31O 2dxz -0.009026 0.022738 -0.029413 -0.002861 -0.016858 0.023547 31O 2dyz -0.033103 -0.021492 -0.003832 0.006901 0.009435 -0.013966 31O 2dx2y2 0.004241 0.013281 0.008077 -0.004507 -0.002141 0.017562 31O 2dxy 0.018852 0.009165 0.013979 0.003355 0.015340 -0.010856 31O 1f0 -0.002826 0.000899 -0.000176 -0.000724 0.000810 0.002139 31O 1f+1 -0.000742 -0.000337 -0.000601 -0.000280 -0.001387 -0.000693 31O 1f-1 -0.000429 0.000439 0.000028 -0.000551 -0.000510 -0.001126 31O 1f+2 0.001165 -0.000348 0.000187 -0.000203 0.002156 -0.000620 31O 1f-2 0.000577 0.001037 0.002587 -0.001164 0.002130 0.000289 31O 1f+3 0.002017 -0.000837 -0.003866 0.001128 -0.001601 0.001103 31O 1f-3 0.001448 0.000535 0.002381 0.000008 0.002024 0.000397 32O 1s -0.000451 0.001939 0.002087 0.001041 0.004183 -0.007786 32O 2s -0.001619 0.004626 0.005081 0.002526 0.008824 -0.015813 32O 3s 0.009976 -0.002174 -0.006533 -0.004151 0.008665 -0.029180 32O 4s -0.038157 -0.090706 -0.079300 -0.029965 -0.214399 0.488826 32O 5s 0.135828 0.263216 0.269950 0.098737 0.448769 -1.132029 32O 1pz 0.005992 -0.007786 0.004493 -0.010952 0.001273 0.010324 32O 1px 0.015271 -0.010082 -0.007443 -0.011449 -0.008158 0.017369 32O 1py 0.018207 0.000930 0.001121 0.008310 -0.012813 0.007160 32O 2pz 0.004816 -0.031129 0.037133 -0.016206 0.036528 -0.031120 32O 2px 0.009602 -0.007447 -0.002670 -0.023201 -0.045140 0.100015 32O 2py 0.004950 -0.051080 -0.029849 -0.004121 -0.011243 -0.037546 32O 3pz -0.038400 0.234863 -0.373836 0.037099 -0.382879 0.369790 32O 3px -0.077461 0.040857 -0.103087 0.010212 -0.043549 -0.335257 32O 3py 0.125058 0.266850 0.220158 0.138530 0.127471 0.030352 32O 1dz2 0.000700 -0.002454 -0.000823 -0.001799 -0.001288 0.001335 32O 1dxz -0.001604 -0.000314 -0.001462 0.001288 -0.000245 -0.001534 32O 1dyz 0.001324 -0.001227 0.003112 0.000009 0.002565 -0.001777 32O 1dx2y2 -0.000416 0.000230 -0.000059 0.001378 0.000784 0.001058 32O 1dxy -0.000785 -0.000875 0.001364 -0.001368 0.001760 -0.002140 32O 2dz2 -0.003744 0.004489 -0.051496 -0.021459 -0.036618 0.017610 32O 2dxz -0.003650 -0.066091 0.037276 0.016934 0.064356 -0.051594 32O 2dyz 0.002084 0.014133 0.036623 0.021754 0.014045 0.004187 32O 2dx2y2 -0.010673 0.003751 0.034438 0.005866 -0.008200 0.027300 32O 2dxy -0.025554 -0.060255 -0.054576 -0.020147 -0.003798 -0.018163 32O 1f0 0.000294 0.000160 0.000304 0.000360 0.000614 -0.001809 32O 1f+1 -0.000094 0.001491 -0.001801 -0.000832 -0.001771 0.001857 32O 1f-1 0.000887 0.001446 0.000686 0.000324 -0.000497 -0.000116 32O 1f+2 -0.000020 -0.001510 0.001174 0.000320 0.001111 0.000591 32O 1f-2 0.000475 -0.000644 0.001629 0.000946 0.001048 -0.000626 32O 1f+3 -0.000215 -0.000125 -0.001775 -0.000607 -0.000657 0.000658 32O 1f-3 0.000034 0.000718 0.000284 -0.000431 0.000014 -0.000591 33O 1s -0.010287 -0.022784 0.006819 0.004972 0.004696 0.015000 33O 2s -0.022603 -0.050092 0.015248 0.010835 0.008073 0.034452 33O 3s -0.003498 -0.016195 0.001951 0.007642 0.042104 -0.001174 33O 4s 0.529613 1.002209 -0.293714 -0.226894 -0.390777 -0.556766 33O 5s -3.129334 -3.098048 1.167336 0.698147 1.422897 -0.117948 33O 1pz 0.058816 0.030681 -0.007571 -0.035762 0.020436 0.050247 33O 1px 0.031642 0.009405 0.003201 -0.006666 -0.025662 0.014270 33O 1py 0.039487 0.033469 -0.016750 0.015357 0.008963 0.021705 33O 2pz 0.114187 -0.023406 -0.019481 -0.052678 0.071198 0.040771 33O 2px 0.208282 0.176877 -0.045072 -0.039467 -0.097231 0.055552 33O 2py 0.114593 0.076517 -0.043040 -0.019527 0.026909 0.030641 33O 3pz -1.995922 -0.350633 0.504867 0.088406 -0.129710 -1.116004 33O 3px 0.460699 0.160741 0.063567 0.030821 0.082396 0.770539 33O 3py -0.567920 -0.217338 -0.042113 0.387567 -0.296194 -0.468879 33O 1dz2 0.003810 0.003230 -0.001453 -0.002765 0.000255 0.001579 33O 1dxz -0.010889 -0.005497 0.005154 -0.000355 0.001785 -0.003951 33O 1dyz -0.003050 -0.001253 0.001748 -0.000185 0.000276 0.002216 33O 1dx2y2 0.003901 0.003432 0.002306 -0.002390 -0.000200 0.003062 33O 1dxy 0.001537 -0.000800 -0.001247 0.004022 -0.000791 -0.002240 33O 2dz2 -0.015586 -0.005197 0.001800 -0.036471 -0.012462 0.003377 33O 2dxz 0.031344 0.025510 -0.011130 -0.007685 -0.005687 0.048546 33O 2dyz -0.016379 0.005539 0.025094 -0.002713 0.007631 0.017830 33O 2dx2y2 -0.038603 -0.027311 -0.010890 -0.026653 -0.018692 -0.010080 33O 2dxy 0.009594 0.024128 0.028057 0.005543 0.008674 0.019539 33O 1f0 0.001551 0.001401 0.001091 0.000068 -0.000248 0.000977 33O 1f+1 0.001998 0.003585 -0.000702 0.000126 -0.000883 0.000695 33O 1f-1 -0.002426 0.000505 0.000503 0.000572 -0.000651 -0.000911 33O 1f+2 -0.002230 -0.002099 -0.000130 -0.000141 0.000902 -0.001883 33O 1f-2 -0.001984 0.000204 0.000560 -0.001949 -0.000798 0.000203 33O 1f+3 -0.002713 -0.000754 -0.000985 -0.002179 -0.001055 -0.000812 33O 1f-3 -0.000820 0.001356 0.000674 -0.000943 -0.001367 0.001147 34O 1s -0.000591 -0.009609 -0.022551 0.001986 -0.004452 0.003979 34O 2s -0.000380 -0.021436 -0.048658 0.004798 -0.010838 0.007886 34O 3s -0.022185 0.000786 -0.027516 -0.015275 0.011052 0.016714 34O 4s 0.129025 0.379537 1.044680 -0.037241 0.113640 -0.315794 34O 5s -0.487665 -1.134298 -3.638728 1.397273 0.061933 1.755396 34O 1pz -0.004533 0.006613 0.022651 -0.039443 -0.005554 0.000178 34O 1px -0.027738 -0.026126 0.009211 -0.055440 0.018760 0.027598 34O 1py -0.008842 0.016209 -0.022736 0.076433 0.022362 0.012630 34O 2pz 0.029315 0.017900 0.084219 -0.161022 -0.020906 -0.017272 34O 2px -0.018719 -0.130910 -0.202359 0.005188 0.038748 0.111755 34O 2py -0.106211 0.027735 -0.014581 0.164036 0.084927 0.011373 34O 3pz -0.323411 0.187335 -0.120873 0.715642 -0.072852 0.290326 34O 3px 0.279193 0.247285 -0.462137 1.327540 0.463071 0.622842 34O 3py 0.637092 -0.017578 0.121904 -1.058118 -0.606725 0.014426 34O 1dz2 0.001641 0.001736 -0.004262 0.005090 0.001446 0.005890 34O 1dxz 0.003990 -0.001258 -0.000088 0.000051 0.002357 -0.001834 34O 1dyz 0.002025 -0.000081 0.002467 -0.001648 0.001651 0.000173 34O 1dx2y2 0.001429 0.000593 0.004673 -0.006324 -0.003911 -0.002744 34O 1dxy -0.001078 -0.001938 -0.003376 0.003199 0.001011 0.000548 34O 2dz2 -0.011205 -0.009211 0.010172 0.009746 0.029601 0.005741 34O 2dxz 0.012974 0.012864 -0.002189 -0.000962 -0.001201 0.002139 34O 2dyz 0.007781 0.013806 -0.005307 0.006676 0.015574 0.002481 34O 2dx2y2 0.031553 -0.018188 -0.050736 0.063964 0.024799 0.027352 34O 2dxy -0.019915 0.020672 0.008831 -0.007500 -0.007231 -0.016143 34O 1f0 0.001881 -0.000532 0.000789 -0.000104 0.000928 -0.001026 34O 1f+1 -0.000420 0.000910 0.002874 -0.002808 0.000273 0.000382 34O 1f-1 -0.000282 -0.001027 -0.000352 0.001124 0.000396 -0.000080 34O 1f+2 -0.000392 0.000294 -0.000751 -0.000070 0.000049 -0.000027 34O 1f-2 0.001620 -0.001178 -0.001237 0.000932 0.001048 -0.000912 34O 1f+3 -0.002655 0.002009 0.003488 -0.002790 -0.002068 -0.003062 34O 1f-3 0.001333 -0.001769 -0.003909 0.001118 -0.000295 0.000120 35O 1s 0.000756 0.017248 -0.008053 -0.013284 -0.002583 0.005724 35O 2s -0.000153 0.038355 -0.017013 -0.030129 -0.006991 0.012521 35O 3s 0.041891 -0.001980 -0.015714 0.008240 0.017886 0.017752 35O 4s -0.218466 -0.695103 0.451960 0.544202 0.017036 -0.361890 35O 5s 0.269905 2.693559 -1.707809 -2.055488 0.505295 0.026345 35O 1pz 0.002250 -0.023226 -0.003361 0.020738 -0.048247 0.065507 35O 1px 0.046747 0.002169 -0.049607 -0.008668 -0.015012 0.046742 35O 1py 0.017015 -0.016996 -0.007147 0.021115 -0.022616 0.053812 35O 2pz -0.062066 -0.088169 0.026633 0.066349 -0.122769 0.197750 35O 2px 0.041189 0.198920 -0.179418 -0.118384 -0.017278 0.020543 35O 2py -0.033571 0.011869 -0.030285 0.051275 -0.074212 0.099488 35O 3pz 0.484018 0.514195 -0.186439 -0.338317 0.558829 -1.247184 35O 3px -0.810692 0.271107 -0.160065 -0.459591 0.854477 -0.824036 35O 3py 0.017159 0.517842 0.024026 -0.397294 0.882925 -0.898555 35O 1dz2 -0.001437 0.002307 -0.002875 -0.003547 0.002722 -0.003147 35O 1dxz -0.003942 -0.006151 0.000727 -0.000163 0.001857 0.001689 35O 1dyz 0.002873 0.000172 0.003214 0.001393 0.001828 -0.001510 35O 1dx2y2 0.001749 -0.003312 0.002549 0.003124 -0.004865 0.003599 35O 1dxy 0.002071 -0.006308 0.001991 0.002322 -0.005217 0.002278 35O 2dz2 0.013432 -0.021554 0.044279 0.020346 -0.020777 0.023375 35O 2dxz -0.041714 -0.009133 -0.001529 -0.011473 0.001613 0.009907 35O 2dyz 0.006796 -0.005140 -0.024868 0.000050 -0.022911 0.021086 35O 2dx2y2 -0.025760 0.030482 -0.008877 -0.019455 -0.001012 -0.016365 35O 2dxy -0.039872 0.034726 0.012972 -0.024583 0.006520 -0.007796 35O 1f0 -0.000221 -0.002622 -0.000846 -0.000062 0.000876 0.000575 35O 1f+1 0.001803 -0.003289 0.002773 0.001341 -0.000271 0.001725 35O 1f-1 0.002765 -0.002216 0.001495 0.000839 -0.000701 0.000213 35O 1f+2 -0.001928 0.002117 -0.000693 -0.001996 -0.000884 -0.000323 35O 1f-2 0.002061 0.000773 0.000110 0.001113 -0.001054 -0.000133 35O 1f+3 0.001381 -0.000089 0.001106 0.002315 0.000429 0.000375 35O 1f-3 0.002402 -0.003360 0.001568 0.003875 -0.000126 0.000621 258 259 260 261 262 263 0.91526 0.91636 0.93548 0.94260 0.94386 0.95231 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s 0.000583 0.000073 0.001287 0.001661 0.001472 -0.000399 0Rh 2s -0.000972 -0.001206 -0.005010 -0.004404 -0.005687 0.001158 0Rh 3s 0.002803 -0.000318 0.004427 0.006988 0.005095 -0.001619 0Rh 4s 0.003882 0.005971 0.022968 0.019460 0.026085 -0.005133 0Rh 5s 0.008647 -0.014209 -0.019067 0.000341 -0.021666 0.000577 0Rh 6s -0.059823 0.028062 -0.057562 -0.111755 -0.064099 0.028271 0Rh 7s 0.272279 -0.133473 0.861750 0.512328 1.094743 -0.135892 0Rh 8s 0.047884 -0.395917 -0.379342 0.112358 -0.708551 -0.020834 0Rh 1pz 0.004975 -0.001030 -0.002047 -0.004373 0.008756 -0.002811 0Rh 1px -0.009528 0.005461 0.011384 -0.024136 0.009533 0.003114 0Rh 1py 0.014627 -0.013340 -0.008954 -0.008541 -0.001665 -0.010361 0Rh 2pz -0.016799 0.003774 0.006987 0.014851 -0.029592 0.009420 0Rh 2px 0.031889 -0.018693 -0.039050 0.081304 -0.032987 -0.010380 0Rh 2py -0.049699 0.045379 0.030480 0.028873 0.005561 0.034935 0Rh 3pz 0.005436 -0.007289 -0.004084 -0.005669 0.009105 -0.001395 0Rh 3px -0.004898 0.011271 0.025530 -0.022457 0.027347 0.000571 0Rh 3py 0.021963 -0.021060 -0.014209 -0.009656 -0.000347 -0.009382 0Rh 4pz 0.066501 0.009869 -0.017563 -0.061488 0.124827 -0.043967 0Rh 4px -0.144287 0.052342 0.097663 -0.330314 0.058563 0.051552 0Rh 4py 0.176283 -0.157699 -0.106895 -0.114359 -0.029120 -0.149399 0Rh 5pz -0.087118 -0.042304 -0.011290 0.133811 -0.209000 0.051524 0Rh 5px 0.174307 -0.045174 -0.034766 0.364341 0.030458 -0.070333 0Rh 5py -0.242574 0.226713 0.151654 0.165005 0.050654 0.220075 0Rh 6pz 0.161650 1.259845 0.712651 -2.028060 1.777131 0.382655 0Rh 6px -0.252496 0.157863 -1.880460 0.368406 -2.315913 0.335265 0Rh 6py 2.289935 -2.140158 -0.728681 -1.422837 -0.215716 -1.392386 0Rh 1dz2 0.014029 -0.019523 0.033234 0.009463 -0.018982 0.013786 0Rh 1dxz -0.006757 -0.003123 0.015379 0.003685 -0.018656 0.007951 0Rh 1dyz 0.022948 0.006809 -0.013810 -0.002073 0.009103 0.050209 0Rh 1dx2y2 0.008577 -0.023547 0.016098 -0.004111 -0.020515 0.007902 0Rh 1dxy 0.016641 0.010226 0.005255 -0.012941 -0.011566 0.015355 0Rh 2dz2 -0.002444 0.003954 -0.008478 -0.001733 0.004951 -0.002661 0Rh 2dxz 0.002082 0.000703 -0.003610 0.000567 0.002332 -0.001830 0Rh 2dyz -0.002748 -0.002316 0.000179 -0.000777 -0.000106 -0.010610 0Rh 2dx2y2 -0.001201 0.004030 -0.002506 -0.001578 0.005280 -0.001706 0Rh 2dxy -0.002520 -0.001874 -0.000951 0.001158 0.003815 -0.003680 0Rh 3dz2 -0.018614 0.023629 -0.032792 -0.012185 0.018520 -0.017214 0Rh 3dxz 0.005202 0.003599 -0.016453 -0.009951 0.028982 -0.008855 0Rh 3dyz -0.035781 -0.004179 0.028184 0.007776 -0.018782 -0.059090 0Rh 3dx2y2 -0.012659 0.031506 -0.022971 0.015035 0.019943 -0.009176 0Rh 3dxy -0.023777 -0.013187 -0.006744 0.021997 0.007776 -0.016257 0Rh 4dz2 -0.044900 0.072933 -0.152914 -0.035113 0.086302 -0.048763 0Rh 4dxz 0.033077 0.011685 -0.067523 0.003661 0.047743 -0.031459 0Rh 4dyz -0.052170 -0.040603 0.008191 -0.013577 -0.003328 -0.190491 0Rh 4dx2y2 -0.021775 0.077189 -0.046777 -0.016593 0.097201 -0.030875 0Rh 4dxy -0.046743 -0.035585 -0.020495 0.026420 0.066100 -0.062998 0Rh 5dz2 0.030450 -0.187620 0.446949 0.127327 -0.270896 0.057369 0Rh 5dxz -0.058412 -0.038108 0.184939 -0.017545 -0.066534 0.057767 0Rh 5dyz -0.124553 0.118837 0.162718 0.170348 -0.162373 0.313801 0Rh 5dx2y2 -0.029095 -0.114114 0.084524 0.079372 -0.275309 0.063557 0Rh 5dxy -0.021387 0.080036 0.084416 0.026718 -0.228377 0.106733 0Rh 1f0 0.007086 0.010838 0.012349 0.009210 0.014752 -0.000191 0Rh 1f+1 0.000247 0.003844 0.003913 -0.000392 -0.018349 -0.003076 0Rh 1f-1 -0.011921 0.009750 0.000563 0.011131 -0.015836 0.010580 0Rh 1f+2 -0.004635 0.007312 -0.005839 -0.019345 0.002764 0.002678 0Rh 1f-2 -0.010900 0.023381 0.013267 -0.002479 -0.006363 0.006254 0Rh 1f+3 -0.002724 -0.009328 -0.021834 -0.010476 -0.024611 -0.002863 0Rh 1f-3 -0.010468 0.007844 -0.000967 -0.001129 -0.002120 0.006114 1Rh 1s 0.000597 -0.000105 -0.001401 0.001982 -0.000885 -0.000391 1Rh 2s -0.001008 0.001236 0.005297 -0.005683 0.004038 0.001169 1Rh 3s 0.002862 0.000146 -0.004921 0.008079 -0.002683 -0.001563 1Rh 4s 0.004036 -0.006068 -0.024223 0.025334 -0.018748 -0.005203 1Rh 5s 0.008714 0.013395 0.018738 -0.004760 0.020606 0.001064 1Rh 6s -0.061150 -0.024003 0.066227 -0.125574 0.026676 0.026466 1Rh 7s 0.281677 0.112276 -0.907237 0.799385 -0.886135 -0.118251 1Rh 8s 0.069130 0.400250 0.375479 -0.091586 0.710722 -0.002721 1Rh 1pz -0.004360 -0.000965 -0.002082 0.000811 0.009837 0.002389 1Rh 1px 0.009617 0.004903 0.010032 0.020638 0.016747 -0.003315 1Rh 1py -0.014396 -0.013223 -0.009285 0.007881 0.001128 0.010731 1Rh 2pz 0.014713 0.003558 0.007113 -0.002798 -0.033271 -0.007985 1Rh 2px -0.032193 -0.016819 -0.034508 -0.069288 -0.057251 0.011059 1Rh 2py 0.048911 0.044981 0.031599 -0.026603 -0.003871 -0.036195 1Rh 3pz -0.004536 -0.007274 -0.004202 0.001615 0.010615 0.000743 1Rh 3px 0.005071 0.010831 0.024484 0.014317 0.033274 -0.000768 1Rh 3py -0.021556 -0.020902 -0.014612 0.008102 0.002609 0.009976 1Rh 4pz -0.059013 0.010883 -0.018081 0.012272 0.139815 0.038857 1Rh 4px 0.145265 0.044481 0.078418 0.301508 0.160445 -0.054319 1Rh 4py -0.173751 -0.156178 -0.111157 0.108713 0.009069 0.153757 1Rh 5pz 0.076469 -0.043504 -0.007547 -0.054013 -0.243408 -0.044315 1Rh 5px -0.175956 -0.036476 -0.012670 -0.358237 -0.086548 0.073875 1Rh 5py 0.239694 0.224336 0.157312 -0.160032 -0.004968 -0.225626 1Rh 6pz -0.063427 1.265671 0.612209 1.388617 2.354669 -0.412876 1Rh 6px 0.282748 0.170099 -1.879263 0.279878 -2.320853 -0.337761 1Rh 6py -2.286086 -2.120531 -0.768974 1.351411 0.262159 1.415014 1Rh 1dz2 0.014630 0.019334 -0.032868 0.001313 0.020844 0.014225 1Rh 1dxz -0.006105 0.003227 -0.015084 -0.003166 0.018971 0.007984 1Rh 1dyz 0.022610 -0.007618 0.015299 0.001609 -0.009187 0.049836 1Rh 1dx2y2 0.009184 0.023015 -0.015734 -0.010644 0.018119 0.008541 1Rh 1dxy 0.016781 -0.010196 -0.004076 -0.015944 0.006635 0.015484 1Rh 2dz2 -0.002595 -0.003923 0.008398 0.000376 -0.005199 -0.002781 1Rh 2dxz 0.001953 -0.000744 0.003505 0.001450 -0.002058 -0.001864 1Rh 2dyz -0.002679 0.002454 -0.000392 -0.000745 -0.000214 -0.010597 1Rh 2dx2y2 -0.001290 -0.003891 0.002552 0.000195 -0.005514 -0.001848 1Rh 2dxy -0.002514 0.001839 0.000777 0.002287 -0.003213 -0.003691 1Rh 3dz2 -0.019215 -0.023372 0.032369 -0.004193 -0.021294 -0.017621 1Rh 3dxz 0.004401 -0.003640 0.016279 0.000548 -0.030760 -0.008780 1Rh 3dyz -0.035378 0.005262 -0.030368 -0.000136 0.020356 -0.058365 1Rh 3dx2y2 -0.013542 -0.030994 0.022031 0.021025 -0.014048 -0.009906 1Rh 3dxy -0.024094 0.013270 0.005037 0.023410 -0.000077 -0.016472 1Rh 4dz2 -0.047628 -0.072316 0.151707 0.002097 -0.092218 -0.050905 1Rh 4dxz 0.030670 -0.012276 0.065924 0.021924 -0.044505 -0.031958 1Rh 4dyz -0.050886 0.043162 -0.012118 -0.013737 -0.002259 -0.190122 1Rh 4dx2y2 -0.023461 -0.074952 0.046931 0.015339 -0.097615 -0.033398 1Rh 4dxy -0.046791 0.035012 0.017116 0.045928 -0.053625 -0.063403 1Rh 5dz2 0.038949 0.186473 -0.449583 0.010655 0.295978 0.064458 1Rh 5dxz -0.052622 0.038494 -0.182817 -0.046444 0.057711 0.060321 1Rh 5dyz -0.127079 -0.120636 -0.167268 0.098898 0.214272 0.316632 1Rh 5dx2y2 -0.028178 0.111629 -0.086108 -0.011909 0.288467 0.068738 1Rh 5dxy -0.022496 -0.075953 -0.082374 -0.049062 0.224956 0.108319 1Rh 1f0 -0.007009 0.010930 0.012930 -0.012904 0.011328 -0.000247 1Rh 1f+1 -0.000485 0.003556 0.003594 0.006595 -0.017144 0.003234 1Rh 1f-1 0.011010 0.009612 0.000857 -0.005060 -0.018625 -0.010074 1Rh 1f+2 0.005687 0.006786 -0.006988 0.016569 0.008782 -0.002985 1Rh 1f-2 0.010921 0.023145 0.012984 0.005615 -0.005021 -0.006648 1Rh 1f+3 0.002578 -0.009771 -0.022666 0.016577 -0.020289 0.003854 1Rh 1f-3 0.010338 0.007864 -0.001239 0.001921 -0.002004 -0.006291 2C 1s 0.000858 0.001994 -0.000201 -0.001366 -0.001531 0.004323 2C 2s 0.001138 0.004325 -0.000840 -0.001657 -0.003701 0.009819 2C 3s 0.059685 0.018705 0.033799 0.005286 0.005996 0.118976 2C 4s -0.411178 -0.169375 -0.213878 -0.094905 0.028266 -0.941294 2C 5s -1.119906 -0.942372 0.929316 -0.137423 0.302241 -6.423665 2C 1pz 0.013065 -0.008990 0.038266 0.075679 -0.008113 -0.043474 2C 1px 0.057140 0.067442 0.006962 -0.063968 0.032935 0.009321 2C 1py -0.030013 0.023592 -0.029795 0.052640 0.042502 -0.013789 2C 2pz -0.014432 -0.139961 0.073719 0.320466 -0.147832 -0.536858 2C 2px 0.162964 0.041188 -0.079101 -0.198960 0.399328 0.143617 2C 2py -0.281072 0.081708 -0.129212 0.263330 0.206169 -0.235761 2C 3pz -0.271867 -0.356334 0.648921 0.217558 0.178427 -1.611577 2C 3px 0.104936 0.017642 -0.230570 -0.418840 -0.032605 -0.539956 2C 3py -0.286383 -0.045931 -0.326650 0.229704 0.007060 -0.969168 2C 1dz2 0.000629 -0.004343 0.003966 -0.003323 -0.000781 -0.005991 2C 1dxz -0.005667 -0.004422 -0.003646 0.003664 0.003291 0.000173 2C 1dyz -0.000418 0.002741 -0.000661 -0.004800 -0.001446 -0.001614 2C 1dx2y2 0.000317 -0.001297 -0.000579 -0.000595 0.004206 0.005912 2C 1dxy 0.000145 -0.002486 -0.001621 0.000235 0.000970 0.001367 2C 2dz2 -0.064602 0.090438 0.137290 0.352765 0.198802 0.062896 2C 2dxz -0.203729 0.191911 0.028035 0.365595 -0.360806 -0.224393 2C 2dyz 0.155799 0.063104 -0.127838 0.305493 0.251635 0.131575 2C 2dx2y2 0.084907 0.312325 -0.131751 -0.456470 0.311679 0.177004 2C 2dxy 0.296573 -0.073245 0.271451 -0.042960 -0.314204 -0.174003 2C 1f0 -0.005237 0.013747 -0.011450 -0.006992 0.015903 0.005663 2C 1f+1 0.009026 -0.001097 0.006141 -0.000452 0.001712 -0.001351 2C 1f-1 -0.003117 -0.002265 0.002693 0.020216 -0.007462 -0.019484 2C 1f+2 -0.002614 -0.000423 0.007020 0.012519 -0.012500 0.004353 2C 1f-2 -0.013836 -0.000003 -0.000648 0.000117 -0.004504 -0.015387 2C 1f+3 -0.004674 0.008931 -0.000042 0.022165 0.005942 0.007103 2C 1f-3 0.010528 0.000948 -0.002788 -0.006269 0.015218 0.010877 3C 1s -0.002171 -0.004067 0.000373 -0.002839 0.000417 -0.003658 3C 2s -0.004331 -0.011172 0.001239 -0.006407 0.001639 -0.008270 3C 3s -0.010816 0.088417 -0.024954 0.021716 -0.023234 -0.131364 3C 4s 0.127003 -0.333623 0.146891 -0.126851 0.133994 0.987071 3C 5s 2.208129 1.154122 -0.320678 0.884019 -0.893705 5.911733 3C 1pz 0.096108 -0.054967 0.037941 0.073953 -0.008819 0.020180 3C 1px -0.078699 0.033132 0.000871 0.053691 -0.035179 0.046511 3C 1py -0.045882 -0.093137 0.069444 -0.053536 0.020679 -0.005572 3C 2pz 0.422602 -0.347717 0.062909 0.321394 -0.082037 0.302852 3C 2px -0.127890 0.172588 0.256054 0.323439 -0.096473 0.159998 3C 2py -0.145813 -0.279409 0.300227 -0.216192 -0.014637 -0.385103 3C 3pz 0.613447 -0.403100 0.232159 0.473404 0.093485 0.674950 3C 3px -0.221580 0.135107 -0.114621 0.263789 -0.573469 0.895763 3C 3py -0.665899 -0.544692 0.192656 -0.219846 0.196470 -1.431469 3C 1dz2 -0.000290 -0.001853 -0.001078 0.001149 -0.000468 0.000882 3C 1dxz 0.004146 -0.001319 -0.000248 -0.003033 -0.000609 -0.000112 3C 1dyz 0.005747 0.001396 0.002734 0.003739 0.000302 -0.002930 3C 1dx2y2 0.000926 0.003744 -0.001557 0.001090 -0.003418 -0.007424 3C 1dxy -0.003823 0.001628 -0.005471 -0.001958 0.002516 -0.000892 3C 2dz2 0.099177 -0.401124 0.351414 0.077955 0.117298 0.043025 3C 2dxz 0.375568 -0.060921 -0.398251 -0.095631 0.205016 -0.057193 3C 2dyz 0.129551 -0.560533 0.108626 -0.408565 0.050202 0.075318 3C 2dx2y2 -0.541381 0.190055 -0.149212 -0.473744 0.135901 0.089211 3C 2dxy -0.015458 0.115860 0.219724 -0.347207 0.187072 -0.133764 3C 1f0 -0.020458 0.010189 -0.000828 -0.028618 0.009011 -0.005365 3C 1f+1 -0.016097 0.012377 0.007463 0.002249 -0.002633 0.000449 3C 1f-1 0.002563 -0.017338 0.010783 -0.005732 -0.001038 0.006227 3C 1f+2 -0.003578 0.008351 -0.000603 0.004734 0.000140 -0.018481 3C 1f-2 0.004686 -0.001752 -0.004021 -0.003298 -0.000623 -0.014319 3C 1f+3 0.006580 0.013930 -0.019473 0.002372 0.003746 0.002829 3C 1f-3 0.013294 -0.017832 -0.000563 -0.016052 0.011463 -0.000629 4C 1s 0.003529 -0.004598 0.006418 -0.002018 -0.002345 -0.008300 4C 2s 0.010056 -0.011633 0.017241 -0.008768 -0.007758 -0.017418 4C 3s -0.143354 -0.014467 -0.105527 0.260415 0.105815 -0.160960 4C 4s 0.387311 0.403896 0.142466 -1.703558 -0.509898 0.802796 4C 5s 1.616181 2.030262 -0.926257 -0.163491 0.582787 5.517910 4C 1pz -0.023098 -0.038833 -0.046884 0.001452 -0.008019 -0.034859 4C 1px -0.028912 -0.027310 0.033401 -0.006508 0.103685 0.048978 4C 1py -0.043401 0.039278 -0.022500 -0.008027 0.019616 -0.006222 4C 2pz 0.070435 0.014292 -0.174139 0.438520 -0.131633 0.079500 4C 2px 0.039045 0.442439 0.654242 -0.002401 0.302052 0.030726 4C 2py 0.065382 0.207172 0.131169 0.267138 0.017168 0.068790 4C 3pz -0.992624 -0.267021 -0.420322 -0.299934 0.225809 -3.837337 4C 3px 0.009623 0.965850 1.015763 -0.093703 0.293669 -0.623516 4C 3py -0.499709 -0.165331 0.809903 -0.444913 0.461536 -2.635357 4C 1dz2 -0.002080 -0.003687 -0.006001 0.005517 -0.000388 -0.007540 4C 1dxz -0.002286 0.003508 -0.001863 0.001837 0.001823 -0.011798 4C 1dyz 0.001639 -0.000806 0.004737 0.000393 0.004271 -0.006619 4C 1dx2y2 0.004607 0.002526 -0.000002 -0.005650 -0.000988 0.012712 4C 1dxy 0.006880 0.001318 0.002500 -0.004028 -0.003167 -0.001576 4C 2dz2 0.099553 0.059085 -0.055535 0.037470 -0.128115 0.124924 4C 2dxz -0.113229 0.180372 0.286884 0.046013 0.006217 -0.034257 4C 2dyz 0.043832 0.042244 -0.017666 0.093040 0.106520 0.546569 4C 2dx2y2 0.070238 0.216272 0.004234 -0.089651 0.074510 0.245852 4C 2dxy 0.217989 0.125052 0.104744 -0.004668 -0.063602 0.142250 4C 1f0 -0.000084 -0.004940 0.007038 0.006597 -0.005731 -0.017415 4C 1f+1 -0.012330 -0.006508 -0.004270 0.009199 0.009564 -0.015960 4C 1f-1 -0.006177 -0.005062 -0.008372 0.014542 -0.001397 -0.007622 4C 1f+2 0.010398 -0.002586 -0.010234 -0.015610 0.002024 0.023613 4C 1f-2 0.000326 0.003907 0.003480 0.003582 0.006285 0.002394 4C 1f+3 0.001732 -0.005596 -0.015257 -0.001340 0.003188 0.003665 4C 1f-3 -0.010406 -0.013993 -0.015539 0.009238 0.001379 -0.016662 5C 1s -0.001227 -0.005913 0.001335 0.001809 -0.002942 0.005203 5C 2s -0.005393 -0.017469 0.004337 -0.000049 -0.007508 0.009496 5C 3s 0.211797 0.068123 -0.023315 0.252273 0.062975 0.176475 5C 4s -1.047257 0.081730 0.004430 -1.684848 -0.196713 -0.695517 5C 5s -2.063096 2.358246 -1.118542 -0.170347 0.057297 -5.054820 5C 1pz 0.016974 -0.006370 -0.014968 -0.021135 -0.021140 0.016775 5C 1px 0.024243 0.012396 0.077377 0.012313 0.066243 -0.004965 5C 1py 0.002093 -0.019962 -0.004720 0.023698 -0.034456 -0.032330 5C 2pz 0.167358 0.109767 -0.241035 0.271418 -0.354331 -0.098856 5C 2px -0.269575 0.163437 -0.022838 0.044422 0.585564 0.044023 5C 2py -0.186086 -0.227537 0.342802 -0.425553 0.326521 0.109412 5C 3pz 0.881226 1.168663 -0.254381 -0.178472 -0.649058 2.129712 5C 3px -0.107142 0.172529 -0.279887 -0.187375 0.818877 1.441028 5C 3py -1.410072 -0.588188 0.083709 -0.106802 0.538879 -3.582359 5C 1dz2 0.006849 0.001993 0.000504 0.000747 -0.000170 0.000611 5C 1dxz 0.000811 0.001835 -0.004700 0.001857 0.001846 0.010630 5C 1dyz 0.000860 -0.009563 0.003411 -0.005084 0.004913 -0.002741 5C 1dx2y2 -0.008905 0.003391 -0.001996 -0.009179 -0.001588 -0.012759 5C 1dxy 0.000349 -0.001505 -0.001900 -0.004295 -0.000871 -0.009752 5C 2dz2 0.198702 -0.235177 0.247860 0.150755 0.006941 0.253475 5C 2dxz 0.021889 -0.192101 -0.053529 -0.099746 0.137994 0.101149 5C 2dyz 0.029575 -0.102917 -0.038844 -0.032458 0.057721 0.482666 5C 2dx2y2 -0.196230 0.166151 -0.022460 -0.011034 0.149271 0.060961 5C 2dxy 0.010524 0.019548 -0.042555 -0.038403 -0.176535 0.201538 5C 1f0 -0.002882 -0.003924 0.002032 -0.003165 0.012991 0.006345 5C 1f+1 0.016464 -0.010180 0.003583 0.007945 -0.007870 0.010671 5C 1f-1 -0.006547 0.007637 -0.001707 -0.003951 0.004388 -0.002140 5C 1f+2 -0.004783 0.004476 0.006828 -0.005588 -0.008931 -0.005812 5C 1f-2 -0.008028 0.008389 0.000600 -0.010247 -0.015365 -0.016615 5C 1f+3 0.015429 -0.006719 0.008193 0.021887 -0.007521 0.016029 5C 1f-3 -0.015867 0.011352 0.001653 -0.007229 -0.005679 -0.021295 6C 1s -0.001234 0.006018 -0.001389 0.000850 0.003537 0.005086 6C 2s -0.005383 0.017850 -0.004365 -0.002215 0.007539 0.009239 6C 3s 0.213174 -0.077178 0.018400 0.255523 0.018708 0.176010 6C 4s -1.054299 -0.038496 0.049121 -1.651829 -0.344263 -0.680198 6C 5s -2.090504 -2.302035 1.021273 -0.108484 -0.121223 -5.057265 6C 1pz -0.019178 -0.007187 -0.016803 0.026168 -0.014141 -0.017573 6C 1px -0.025005 0.013919 0.078424 -0.029791 0.059693 0.003691 6C 1py -0.002688 -0.019535 -0.001902 -0.012778 -0.040956 0.033988 6C 2pz -0.165112 0.115364 -0.231372 -0.154717 -0.419059 0.105492 6C 2px 0.273714 0.168059 -0.014438 -0.224764 0.537504 -0.026155 6C 2py 0.179924 -0.237334 0.325742 0.310789 0.441244 -0.124127 6C 3pz -0.862185 1.191709 -0.310000 0.393073 -0.557162 -2.125683 6C 3px 0.117279 0.184485 -0.302404 -0.105952 0.825412 -1.399564 6C 3py 1.384691 -0.635928 0.154773 -0.078833 0.544089 3.605040 6C 1dz2 0.007048 -0.002060 -0.000424 0.000451 0.000426 0.000547 6C 1dxz 0.000833 -0.001890 0.004811 0.002486 -0.001099 0.010447 6C 1dyz 0.001066 0.009634 -0.003150 -0.003271 -0.006381 -0.002455 6C 1dx2y2 -0.008978 -0.003088 0.002030 -0.009088 -0.001429 -0.012965 6C 1dxy 0.000392 0.001548 0.001881 -0.004151 -0.000604 -0.009655 6C 2dz2 0.198140 0.230523 -0.245941 0.131205 0.040784 0.260519 6C 2dxz 0.020913 0.189991 0.057917 -0.044457 -0.162251 0.098937 6C 2dyz 0.035924 0.103842 0.050638 -0.010687 -0.058322 0.478707 6C 2dx2y2 -0.203261 -0.163068 0.022675 0.033784 -0.142214 0.062025 6C 2dxy 0.010399 -0.017105 0.050663 -0.090541 0.155125 0.206449 6C 1f0 0.002856 -0.003909 0.001951 -0.000961 0.013147 -0.006230 6C 1f+1 -0.016649 -0.009807 0.003533 -0.004946 -0.009919 -0.010909 6C 1f-1 0.006747 0.007590 -0.001774 0.002325 0.005484 0.002249 6C 1f+2 0.004964 0.004418 0.006737 0.008263 -0.006629 0.005535 6C 1f-2 0.008301 0.007880 0.000472 0.014456 -0.011132 0.016309 6C 1f+3 -0.015697 -0.006110 0.008579 -0.017906 -0.013985 -0.016215 6C 1f-3 0.016327 0.011049 0.001904 0.008542 -0.003070 0.021263 7C 1s 0.003813 0.004625 -0.006341 -0.003054 0.001477 -0.008107 7C 2s 0.010835 0.011701 -0.016726 -0.011733 0.004337 -0.016847 7C 3s -0.145063 0.015721 0.082981 0.282266 -0.018242 -0.166369 7C 4s 0.377226 -0.402233 -0.015274 -1.760773 -0.052316 0.815276 7C 5s 1.510008 -2.080333 1.053035 0.074178 -0.575549 5.465564 7C 1pz 0.023339 -0.039851 -0.046172 -0.002606 -0.009361 0.035785 7C 1px 0.028176 -0.027607 0.033568 -0.024728 0.100008 -0.050115 7C 1py 0.045113 0.038031 -0.022350 -0.000195 0.020765 0.006756 7C 2pz -0.072532 0.023011 -0.151156 -0.365669 -0.265794 -0.067416 7C 2px -0.033903 0.444477 0.659982 -0.044751 0.301045 -0.030433 7C 2py -0.063975 0.213914 0.146874 -0.237575 -0.065457 -0.060401 7C 3pz 0.996752 -0.281820 -0.345554 0.211854 0.329339 3.842704 7C 3px 0.002653 0.972592 1.035968 0.080377 0.336162 0.606514 7C 3py 0.510451 -0.175914 0.860424 0.328089 0.595837 2.631876 7C 1dz2 -0.001907 0.003722 0.005612 0.005177 0.002043 -0.007576 7C 1dxz -0.002273 -0.003478 0.001436 0.002275 -0.001180 -0.011916 7C 1dyz 0.001441 0.000704 -0.004871 0.001328 -0.004083 -0.006667 7C 1dx2y2 0.004604 -0.002737 0.000662 -0.005740 -0.000823 0.012758 7C 1dxy 0.006778 -0.001348 -0.002265 -0.004999 0.001494 -0.001574 7C 2dz2 0.095240 -0.058518 0.053074 0.003469 0.137384 0.121702 7C 2dxz -0.113898 -0.179158 -0.294653 0.026511 0.006407 -0.034622 7C 2dyz 0.043648 -0.052327 0.021533 0.121643 -0.068619 0.549355 7C 2dx2y2 0.056091 -0.220210 0.005918 -0.063398 -0.094882 0.238168 7C 2dxy 0.211930 -0.126736 -0.100499 -0.031194 0.051441 0.143575 7C 1f0 -0.000224 -0.005094 0.007857 -0.003970 -0.007384 0.017326 7C 1f+1 0.011972 -0.006805 -0.003077 -0.011819 0.006122 0.016014 7C 1f-1 0.005814 -0.005174 -0.007389 -0.013587 -0.006221 0.007942 7C 1f+2 -0.010015 -0.002383 -0.011717 0.013370 0.006433 -0.023707 7C 1f-2 -0.000252 0.003902 0.003804 -0.004951 0.004971 -0.002190 7C 1f+3 -0.001800 -0.005567 -0.015393 -0.000675 0.003232 -0.003699 7C 1f-3 0.010047 -0.014245 -0.014524 -0.010197 -0.001744 0.016894 8C 1s -0.002053 0.004171 -0.000341 -0.002487 -0.001297 -0.003597 8C 2s -0.003996 0.011417 -0.001146 -0.005374 -0.003603 -0.008106 8C 3s -0.014353 -0.089681 0.020517 0.013737 0.027558 -0.133290 8C 4s 0.142170 0.338737 -0.115363 -0.084728 -0.158017 0.996189 8C 5s 2.156437 -1.245694 0.395877 0.536240 1.130763 5.896896 8C 1pz -0.095644 -0.052132 0.040388 -0.065196 -0.031726 -0.021074 8C 1px 0.080463 0.034627 0.002490 -0.039473 -0.051260 -0.044754 8C 1py 0.044511 -0.094944 0.067108 0.046415 0.035692 0.002736 8C 2pz -0.427845 -0.336248 0.067307 -0.273422 -0.184491 -0.300761 8C 2px 0.133854 0.182081 0.265470 -0.259337 -0.192953 -0.161688 8C 2py 0.143210 -0.283423 0.300904 0.218957 0.054363 0.375676 8C 3pz -0.605380 -0.382097 0.240081 -0.474237 -0.060511 -0.686645 8C 3px 0.231656 0.144788 -0.122474 -0.065308 -0.634011 -0.900221 8C 3py 0.654589 -0.568619 0.210623 0.144148 0.255395 1.408781 8C 1dz2 -0.000115 0.001866 0.001026 0.001138 0.000856 0.000863 8C 1dxz 0.004200 0.001272 0.000427 -0.003013 -0.000437 -0.000069 8C 1dyz 0.005649 -0.001590 -0.002891 0.003416 0.000783 -0.002867 8C 1dx2y2 0.000956 -0.003752 0.001357 0.000056 0.003534 -0.007421 8C 1dxy -0.003882 -0.001574 0.005473 -0.000757 -0.002989 -0.001078 8C 2dz2 0.104397 0.399804 -0.349948 0.098452 -0.091790 0.056674 8C 2dxz 0.369990 0.052343 0.406603 -0.008480 -0.228731 -0.064997 8C 2dyz 0.147023 0.567325 -0.085363 -0.373032 -0.172498 0.082284 8C 2dx2y2 -0.549910 -0.172049 0.165174 -0.395056 -0.273689 0.095548 8C 2dxy -0.019706 -0.113366 -0.207075 -0.279340 -0.292966 -0.123379 8C 1f0 0.020821 0.009369 -0.001576 0.024095 0.017644 0.004889 8C 1f+1 0.016197 0.012270 0.007638 -0.001258 -0.003458 -0.000455 8C 1f-1 -0.003257 -0.017472 0.010315 0.006003 0.000501 -0.006495 8C 1f+2 0.003818 0.008239 0.000193 -0.004559 -0.001167 0.018583 8C 1f-2 -0.004572 -0.001383 -0.004101 0.002830 0.000521 0.014656 8C 1f+3 -0.006150 0.014284 -0.019320 -0.004352 0.002746 -0.002191 8C 1f-3 -0.013751 -0.017894 -0.001570 0.011333 0.015979 0.000428 9C 1s 0.000916 -0.001957 0.000420 -0.001683 0.001065 0.004389 9C 2s 0.001320 -0.004212 0.001271 -0.002490 0.003145 0.009980 9C 3s 0.057703 -0.021957 -0.033130 0.003734 -0.005357 0.118602 9C 4s -0.404500 0.187421 0.205027 -0.063402 -0.051370 -0.942187 9C 5s -1.097149 0.958204 -1.079804 -0.141115 -0.391625 -6.416774 9C 1pz -0.011898 -0.008692 0.044990 -0.065486 -0.032143 0.044736 9C 1px -0.054524 0.067492 0.005525 0.053526 0.053138 -0.007440 9C 1py 0.029346 0.025222 -0.026320 -0.061811 0.026427 0.013694 9C 2pz 0.013268 -0.142732 0.105994 -0.244398 -0.246429 0.545861 9C 2px -0.155957 0.041543 -0.085523 0.065411 0.441522 -0.135570 9C 2py 0.274166 0.083927 -0.111443 -0.310255 0.123188 0.235302 9C 3pz 0.263775 -0.357344 0.706192 -0.218328 0.107593 1.596120 9C 3px -0.094849 0.012933 -0.236114 0.400848 0.110211 0.550650 9C 3py 0.280220 -0.046509 -0.294107 -0.213426 -0.044374 0.985084 9C 1dz2 0.000849 0.004401 -0.003838 -0.003555 -0.000474 -0.005728 9C 1dxz -0.005517 0.004475 0.003449 0.004834 -0.001771 0.000258 9C 1dyz -0.000468 -0.002653 0.000946 -0.004968 -0.000164 -0.001714 9C 1dx2y2 0.000338 0.001190 0.000748 0.000742 -0.004209 0.005923 9C 1dxy 0.000140 0.002507 0.001707 0.000715 -0.000797 0.001375 9C 2dz2 -0.065329 -0.094852 -0.161333 0.380129 -0.077395 0.062029 9C 2dxz -0.200635 -0.189702 -0.050691 0.226433 0.455415 -0.224031 9C 2dyz 0.146342 -0.075500 0.109153 0.359936 -0.147641 0.118960 9C 2dx2y2 0.061594 -0.316301 0.165629 -0.323923 -0.450184 0.176195 9C 2dxy 0.292897 0.066042 -0.269584 -0.159697 0.276627 -0.174855 9C 1f0 0.005740 0.013883 -0.011981 0.001182 0.017614 -0.005679 9C 1f+1 -0.008725 -0.000807 0.006013 0.000662 0.002400 0.001392 9C 1f-1 0.002684 -0.002255 0.004329 -0.016238 -0.013320 0.019585 9C 1f+2 0.001953 -0.000290 0.007690 -0.007804 -0.015772 -0.005004 9C 1f-2 0.013454 -0.000457 -0.000377 0.000729 -0.004628 0.015061 9C 1f+3 0.004966 0.009366 0.001191 -0.022052 -0.001498 -0.006546 9C 1f-3 -0.010140 0.001579 -0.003078 0.000653 0.016568 -0.010835 10H 1s 0.010435 0.015302 -0.000589 -0.027103 0.014372 0.011598 10H 2s -0.267534 -0.138003 0.264712 0.856308 -0.741753 -0.265342 10H 3s 0.030820 -0.027614 -0.035161 0.014538 0.258233 0.527947 10H 1pz -0.002890 0.006870 0.007894 0.030269 -0.051002 -0.012895 10H 1px 0.011476 0.009045 -0.023110 -0.048526 0.047091 0.021213 10H 1py -0.003600 0.007806 0.007356 0.008765 -0.020923 -0.004534 11H 1s -0.017889 0.000804 -0.013932 0.008636 -0.000660 -0.005635 11H 2s 0.611445 -0.094286 0.186803 -0.126702 0.138420 0.283270 11H 3s -0.148178 0.021855 0.045657 -0.095543 -0.012097 0.038399 11H 1pz 0.031490 -0.019135 -0.001671 -0.003540 0.009246 0.030830 11H 1px 0.026454 -0.017434 0.014298 0.001488 0.017445 0.016087 11H 1py -0.025543 0.000676 -0.010073 0.009556 -0.000072 0.005742 12H 1s -0.000758 -0.005329 0.000652 -0.001670 -0.007455 -0.006574 12H 2s -0.185221 0.517210 -0.389844 0.143547 0.684858 0.520706 12H 3s 0.055329 -0.016411 -0.205614 -0.064731 -0.269032 0.097916 12H 1pz 0.005812 -0.012157 0.012139 -0.003813 -0.006133 0.004662 12H 1px -0.009878 0.005832 -0.012180 0.015839 0.025306 0.017168 12H 1py -0.009656 0.029533 -0.013906 0.010173 0.045837 0.041334 13H 1s -0.028971 0.010550 0.000777 -0.005212 -0.000091 0.002851 13H 2s 0.868781 -0.504609 -0.405174 0.048830 0.135840 -0.235713 13H 3s -0.053390 -0.067407 0.321223 -0.042091 0.226683 -0.449667 13H 1pz 0.036863 -0.020416 -0.034528 -0.000611 -0.001547 -0.012972 13H 1px -0.039671 0.021136 0.017731 -0.008181 -0.009392 0.004472 13H 1py -0.000544 0.016965 0.032497 0.004534 0.003960 0.001122 14H 1s 0.010897 0.005393 -0.005718 -0.018945 0.003012 -0.008889 14H 2s -0.024755 -0.193152 0.539950 0.746855 -0.353707 -0.086986 14H 3s -0.278034 -0.244795 -0.097681 -0.185218 0.072381 -0.110071 14H 1pz -0.004902 0.002064 0.014377 0.026507 -0.018001 -0.011151 14H 1px 0.013275 -0.005368 0.039837 0.050642 -0.017367 -0.015975 14H 1py -0.008952 -0.006283 -0.003384 0.013611 -0.011803 0.013489 15H 1s 0.017325 -0.023807 0.016054 0.000482 0.004425 0.010312 15H 2s -0.489165 0.982492 -0.468500 -0.070483 0.085376 -0.290820 15H 3s -0.030220 -0.253434 0.118311 -0.210955 -0.025523 0.004697 15H 1pz 0.024115 -0.058465 0.024864 0.003077 -0.001833 0.001148 15H 1px 0.002153 0.011796 0.002308 0.001012 0.010809 -0.015400 15H 1py 0.028684 -0.050881 0.014944 -0.006047 -0.010636 0.029148 16H 1s -0.017065 0.000548 -0.006733 0.016523 0.006177 -0.009401 16H 2s 0.010240 -0.089875 -0.316136 0.344698 -0.304373 -0.100019 16H 3s 0.034127 0.033290 0.102763 0.037637 0.295209 -0.044547 16H 1pz 0.016224 -0.012373 -0.006192 -0.019661 -0.011858 -0.005441 16H 1px 0.000067 -0.011755 -0.027671 -0.032161 0.028790 -0.017181 16H 1py 0.008429 -0.002976 -0.028097 0.046112 -0.016344 0.002113 17H 1s 0.021279 0.005147 0.002982 0.013419 -0.003695 0.004442 17H 2s 0.017050 0.055332 -0.246849 0.185707 -0.218233 0.054259 17H 3s -0.016700 0.033801 0.146287 0.027544 0.187637 0.023139 17H 1pz -0.023820 0.024357 0.010218 0.024868 0.011124 0.009841 17H 1px 0.048813 -0.018954 -0.007118 0.036058 -0.033736 -0.014278 17H 1py 0.008668 -0.000815 -0.023827 0.061354 -0.039347 -0.008210 18H 1s 0.020708 -0.005401 -0.002919 0.012033 0.007566 0.003971 18H 2s 0.008900 -0.057204 0.242037 0.124075 0.266236 0.051649 18H 3s -0.017391 -0.036343 -0.149843 0.076138 -0.167818 0.020689 18H 1pz 0.023822 0.024768 0.011821 -0.024704 0.003588 -0.011355 18H 1px -0.048705 -0.017965 -0.005156 -0.025025 -0.043300 0.015605 18H 1py -0.008142 0.001291 -0.019780 -0.048074 -0.057530 0.007456 19H 1s -0.016799 0.000200 0.005367 0.018193 0.000188 -0.009911 19H 2s 0.008215 0.087593 0.296858 0.252960 0.399933 -0.106585 19H 3s 0.026907 -0.032628 -0.103233 0.126972 -0.268245 -0.047351 19H 1pz -0.015353 -0.012258 -0.006831 0.022239 -0.003682 0.005768 19H 1px 0.000799 -0.013403 -0.028476 0.018601 0.036694 0.018198 19H 1py -0.009495 -0.002319 -0.025990 -0.038667 -0.029520 -0.002009 20H 1s 0.017815 0.023465 -0.015710 0.001308 -0.003872 0.010982 20H 2s -0.509522 -0.977220 0.459109 -0.020421 -0.112082 -0.304724 20H 3s -0.020121 0.259014 -0.105172 -0.212721 -0.037269 0.000979 20H 1pz -0.025424 -0.058329 0.024694 -0.001470 -0.003048 -0.002088 20H 1px -0.001550 0.012556 0.002676 -0.004367 0.010386 0.015582 20H 1py -0.030225 -0.050417 0.013573 0.009554 -0.008950 -0.029263 21H 1s 0.011064 -0.005102 0.006427 -0.016788 -0.009128 -0.008617 21H 2s -0.024019 0.175388 -0.571694 0.568397 0.573291 -0.085140 21H 3s -0.273480 0.256887 0.101522 -0.141034 -0.124592 -0.103653 21H 1pz 0.004746 0.002642 0.015791 -0.018628 -0.025789 0.011694 21H 1px -0.013270 -0.003954 0.041968 -0.040280 -0.032023 0.015564 21H 1py 0.009249 -0.006053 -0.002737 -0.009517 -0.015893 -0.013285 22H 1s -0.029053 -0.010127 -0.000832 -0.004948 -0.001216 0.002765 22H 2s 0.879058 0.495525 0.404432 0.110404 -0.115392 -0.245603 22H 3s -0.051382 0.071590 -0.327729 0.021718 -0.231624 -0.443758 22H 1pz -0.037067 -0.019986 -0.034506 -0.000447 -0.001327 0.013902 22H 1px 0.040135 0.020578 0.017636 0.011622 -0.006434 -0.005162 22H 1py 0.001053 0.017213 0.032959 -0.003676 0.002601 -0.002063 23H 1s -0.001062 0.005631 -0.000842 -0.003148 0.007168 -0.006773 23H 2s -0.194161 -0.528798 0.387495 0.353809 -0.618345 0.515715 23H 3s 0.053297 0.022687 0.216492 -0.129366 0.235479 0.092277 23H 1pz -0.006277 -0.012281 0.011970 0.005547 -0.005699 -0.004839 23H 1px 0.009851 0.006177 -0.011154 -0.023007 0.018579 -0.016745 23H 1py 0.010074 0.030597 -0.013962 -0.023844 0.041130 -0.041173 24H 1s -0.017630 -0.000436 0.013527 0.009137 0.003381 -0.004920 24H 2s 0.594142 0.088498 -0.188012 -0.092170 -0.166174 0.268457 24H 3s -0.145028 -0.020773 -0.036161 -0.087515 -0.012965 0.047744 24H 1pz -0.031195 -0.018333 -0.002128 0.000850 0.009689 -0.029718 24H 1px -0.026208 -0.017297 0.014711 -0.005882 0.015812 -0.015707 24H 1py 0.024319 -0.000022 -0.010002 -0.010035 -0.002756 -0.006397 25H 1s 0.009713 -0.015245 0.002013 -0.021267 -0.022787 0.011417 25H 2s -0.247377 0.138503 -0.312528 0.564278 0.981864 -0.257304 25H 3s 0.030730 0.025559 0.044438 0.104504 -0.232201 0.532726 25H 1pz 0.002392 0.006591 0.009639 -0.011839 -0.058339 0.013108 25H 1px -0.010059 0.008798 -0.026104 0.029561 0.060100 -0.020746 25H 1py 0.003395 0.008171 0.007421 -0.000873 -0.022039 0.004377 26O 1s 0.005641 -0.012260 -0.009415 -0.008431 0.016888 0.006221 26O 2s 0.012486 -0.027123 -0.020999 -0.017757 0.038883 0.012867 26O 3s 0.010769 -0.004743 -0.000683 -0.028520 -0.010193 0.029039 26O 4s -0.283577 0.592069 0.479094 0.481337 -0.646398 -0.313175 26O 5s 0.214988 -2.510219 -2.024305 -0.789899 0.763650 -0.219276 26O 1pz -0.060655 -0.028655 -0.014383 0.008770 -0.020268 -0.019589 26O 1px -0.029457 0.006847 0.018480 0.050683 0.024949 0.047162 26O 1py -0.040962 0.012715 -0.008467 0.020685 0.014478 -0.001404 26O 2pz -0.149679 -0.071385 -0.033448 0.042585 -0.031705 -0.129540 26O 2px -0.004165 0.125048 0.094285 0.109711 0.039196 0.203763 26O 2py -0.069269 -0.001343 0.058202 0.057504 -0.005881 -0.026086 26O 3pz 0.923213 0.105595 -0.097525 -0.730789 0.317900 0.497857 26O 3px 0.538938 0.623024 0.682378 -1.025368 0.272678 -0.198976 26O 3py 0.366778 0.801324 0.041240 -0.783789 0.476965 0.582459 26O 1dz2 -0.002166 -0.000286 -0.001869 0.002855 -0.000046 0.002606 26O 1dxz 0.002520 0.000023 -0.000256 -0.003061 0.000418 0.000969 26O 1dyz 0.001031 -0.001208 0.002404 0.001249 -0.002234 0.004996 26O 1dx2y2 0.001621 0.005103 0.002649 -0.001209 -0.000053 -0.000385 26O 1dxy 0.000042 0.007133 0.004462 -0.002760 0.000929 0.004975 26O 2dz2 0.049256 0.040480 0.014048 -0.026057 0.006944 -0.004809 26O 2dxz -0.012365 -0.003037 -0.036980 -0.003389 0.003261 -0.021288 26O 2dyz 0.022986 -0.020280 0.012547 -0.003875 0.007004 -0.006086 26O 2dx2y2 -0.002645 -0.007332 -0.024221 0.013797 -0.006781 -0.008332 26O 2dxy -0.006670 -0.017331 -0.038123 0.004339 -0.000115 -0.020114 26O 1f0 -0.000193 0.000899 -0.000708 -0.000358 0.001456 0.000673 26O 1f+1 -0.003236 -0.003088 -0.003856 0.000780 0.001175 -0.004915 26O 1f-1 -0.000412 -0.002572 -0.003355 -0.000868 0.003323 -0.002811 26O 1f+2 0.001545 0.000352 0.000707 0.001434 -0.002084 0.001349 26O 1f-2 -0.000040 -0.000183 -0.000792 -0.000889 0.000371 -0.003868 26O 1f+3 -0.001750 -0.000096 -0.001446 0.000756 -0.000180 -0.002305 26O 1f-3 -0.002566 -0.001978 -0.002695 0.001233 0.000207 -0.003031 27O 1s -0.004320 0.013652 0.019272 0.004288 0.003368 -0.002376 27O 2s -0.008661 0.031034 0.042737 0.010291 0.008068 -0.004921 27O 3s -0.029544 0.005173 0.012881 -0.015770 -0.006093 -0.014930 27O 4s 0.299165 -0.593602 -0.857994 -0.145603 -0.044659 0.097002 27O 5s 0.207069 0.354482 2.097047 0.729358 -0.754005 0.510389 27O 1pz 0.041602 -0.020389 0.011885 -0.026798 -0.030643 0.004957 27O 1px 0.053469 -0.021513 0.008718 0.003545 0.003259 -0.032684 27O 1py -0.054751 0.044321 0.000039 0.019548 -0.015795 -0.023385 27O 2pz 0.136346 -0.025224 0.013591 -0.083740 -0.012832 0.053105 27O 2px 0.027156 0.003927 -0.060010 -0.054182 0.043648 -0.193867 27O 2py -0.153497 0.126505 -0.039995 0.052094 -0.047163 -0.085804 27O 3pz -0.726623 0.219723 0.243730 0.543731 -0.157152 -0.169115 27O 3px -1.272083 1.008599 -0.068745 -0.261078 0.649428 0.382595 27O 3py 1.211718 -0.960539 0.093115 0.120017 -0.045236 0.247690 27O 1dz2 0.005294 -0.002235 0.001390 -0.000737 -0.000430 0.001552 27O 1dxz -0.000376 0.000210 0.002187 -0.000391 0.001419 -0.002987 27O 1dyz -0.001757 0.001246 0.001426 0.000902 -0.003209 0.005002 27O 1dx2y2 -0.003892 0.003857 -0.002645 -0.001607 0.003658 0.001507 27O 1dxy 0.005882 -0.001227 0.001308 0.004704 -0.003536 0.002587 27O 2dz2 -0.015591 0.020109 0.001004 0.001658 0.021544 -0.010366 27O 2dxz 0.002481 0.009479 0.007296 -0.006493 0.001736 0.010336 27O 2dyz 0.030416 -0.024318 -0.001130 -0.004172 -0.046032 0.005824 27O 2dx2y2 0.047334 -0.028059 0.000795 0.031100 -0.002990 0.004434 27O 2dxy -0.005362 -0.000683 -0.001597 -0.009606 0.008009 -0.019519 27O 1f0 -0.001376 -0.000485 -0.001762 -0.000180 0.000414 -0.000727 27O 1f+1 0.001927 -0.000029 -0.000196 0.001169 -0.000508 0.002946 27O 1f-1 0.000045 -0.000324 -0.000410 -0.000942 -0.000601 0.000016 27O 1f+2 0.000316 -0.000253 -0.002620 0.000216 0.000495 -0.000156 27O 1f-2 -0.001723 -0.000310 -0.002140 -0.000002 0.000066 -0.003935 27O 1f+3 0.003730 -0.001325 0.002794 0.001663 0.000962 0.006102 27O 1f-3 -0.002530 0.000793 -0.002267 -0.001629 0.001001 -0.000760 28O 1s -0.000003 -0.000359 0.003804 0.004676 -0.001315 0.003698 28O 2s 0.000318 -0.000563 0.007394 0.010381 -0.002049 0.007739 28O 3s 0.000065 -0.004960 0.018544 -0.002370 -0.016432 0.019545 28O 4s 0.025914 0.037815 -0.321288 -0.214308 0.054898 -0.204232 28O 5s -0.649691 0.100304 1.899235 1.079534 0.514736 -0.053200 28O 1pz 0.009602 0.042038 -0.014136 -0.035472 -0.042044 -0.059603 28O 1px -0.027591 -0.013179 0.004895 -0.006190 0.035424 0.001197 28O 1py -0.007778 0.019162 0.024789 -0.030479 -0.035801 -0.035861 28O 2pz 0.047819 0.078076 -0.071120 -0.106527 -0.098554 -0.086971 28O 2px -0.134457 0.004282 0.063656 0.062630 0.065063 -0.108883 28O 2py -0.025728 0.051181 0.006622 -0.060461 -0.045395 -0.084699 28O 3pz -0.203275 -0.541890 -0.395388 0.268447 0.218106 0.964736 28O 3px 0.134518 0.034891 0.714926 -0.098295 0.252472 0.022419 28O 3py 0.292843 -0.060128 -0.054877 0.171769 0.008638 0.291444 28O 1dz2 0.000551 0.000749 0.000063 -0.003697 0.002556 0.003967 28O 1dxz 0.001791 0.003656 0.006655 0.000326 0.000157 -0.004554 28O 1dyz 0.002911 -0.000357 -0.005305 -0.001292 -0.000813 0.003997 28O 1dx2y2 0.000576 0.001034 -0.001109 0.002780 -0.001616 0.000187 28O 1dxy -0.002633 0.000587 0.001341 0.003004 0.002379 0.001615 28O 2dz2 -0.026534 -0.003112 0.024093 0.002339 0.011738 0.002347 28O 2dxz 0.006787 -0.004357 -0.011834 0.003167 -0.036197 0.038803 28O 2dyz -0.004826 -0.015086 -0.036729 0.034846 0.045011 0.042238 28O 2dx2y2 -0.013836 0.007356 0.011477 0.024335 -0.007241 0.013563 28O 2dxy 0.002398 -0.001739 -0.018658 0.022374 0.017340 0.044320 28O 1f0 -0.002604 -0.002119 -0.000010 0.000827 0.000814 -0.002748 28O 1f+1 -0.001821 0.000431 0.001350 0.002321 -0.002732 -0.002878 28O 1f-1 -0.001792 0.000600 0.001224 0.000239 -0.001988 -0.003191 28O 1f+2 0.003192 -0.000028 0.000318 -0.002263 -0.001339 0.005411 28O 1f-2 -0.000587 -0.000002 0.001154 0.001220 -0.001028 0.000792 28O 1f+3 0.001422 -0.000916 0.000141 -0.000492 -0.002587 0.000909 28O 1f-3 -0.001489 0.000433 0.000628 0.000733 -0.000004 -0.002865 29O 1s -0.000617 0.001949 0.010341 -0.004862 0.012087 0.000718 29O 2s -0.000130 0.003421 0.020505 -0.007526 0.024424 0.001188 29O 3s -0.019866 0.015930 0.048971 -0.060486 0.050886 0.006937 29O 4s 0.110325 -0.168864 -0.718478 0.515583 -0.804583 -0.064901 29O 5s -0.209760 0.427435 1.730160 -1.242839 1.905442 0.142065 29O 1pz -0.008039 -0.003171 -0.007051 0.005469 -0.019897 0.004030 29O 1px 0.008639 -0.012879 0.022661 0.010628 0.031283 -0.000784 29O 1py -0.009705 -0.002056 -0.006546 -0.003479 -0.010801 0.011162 29O 2pz 0.034238 -0.010637 -0.046585 0.013909 -0.073517 0.014759 29O 2px -0.015462 0.015913 0.145024 -0.081718 0.162709 0.019972 29O 2py 0.019945 -0.045962 -0.049602 -0.038753 -0.050866 -0.010697 29O 3pz -0.059358 -0.104919 0.106128 0.194420 0.184549 -0.178956 29O 3px 0.056073 -0.196725 -0.584583 0.266428 -0.786402 -0.090763 29O 3py -0.170292 0.211375 -0.090914 0.373231 -0.091873 0.092716 29O 1dz2 -0.000661 0.000413 -0.002430 0.004018 -0.001022 -0.001229 29O 1dxz 0.000553 0.000656 -0.000008 0.004228 -0.001292 0.001009 29O 1dyz -0.000159 -0.001811 -0.000599 0.001870 -0.000573 -0.002464 29O 1dx2y2 0.000502 -0.001478 -0.001971 -0.000614 -0.002527 -0.000246 29O 1dxy -0.002840 0.001151 0.000928 -0.000518 -0.000362 0.000720 29O 2dz2 -0.030529 0.021794 0.007266 -0.000097 0.009644 0.023021 29O 2dxz -0.000076 0.001371 0.032745 0.024219 -0.019401 -0.003449 29O 2dyz 0.014403 -0.010635 -0.000286 -0.022045 -0.007328 -0.009273 29O 2dx2y2 0.053648 -0.022225 -0.045031 0.096318 -0.063488 -0.021117 29O 2dxy -0.030845 0.029355 0.019922 0.054971 0.007178 0.027435 29O 1f0 0.000929 -0.000919 -0.001484 -0.000459 -0.002253 0.000273 29O 1f+1 0.000553 0.000316 0.001083 0.000683 0.000712 -0.000293 29O 1f-1 0.000687 -0.000028 -0.000441 -0.000094 -0.001145 0.000912 29O 1f+2 -0.001208 0.001046 0.000938 0.000302 0.002254 0.000789 29O 1f-2 -0.001936 -0.000723 -0.001182 0.000623 -0.000235 -0.000970 29O 1f+3 0.001758 -0.000207 0.000978 0.002093 -0.000023 -0.000424 29O 1f-3 0.002282 -0.000713 0.000216 0.000777 0.000153 0.000020 30O 1s -0.006479 0.005081 -0.003449 -0.002413 0.009313 -0.005579 30O 2s -0.013835 0.012530 -0.007961 -0.004149 0.020849 -0.011544 30O 3s -0.020673 -0.011958 0.002965 -0.026302 -0.000833 -0.025935 30O 4s 0.346393 -0.164037 0.069842 0.197052 -0.500262 0.301558 30O 5s -0.309074 -0.480392 0.516564 -0.331380 2.447484 -0.203038 30O 1pz -0.038970 -0.008294 -0.052862 -0.027820 -0.019113 0.054581 30O 1px 0.007244 -0.008564 0.029698 -0.017503 0.034455 0.017535 30O 1py 0.027561 0.055515 0.019447 0.029958 0.019341 -0.059712 30O 2pz -0.102863 -0.012895 -0.072084 -0.035613 -0.090636 0.095530 30O 2px 0.076475 -0.066178 0.055092 -0.021632 0.111650 0.130892 30O 2py 0.044500 0.097464 0.055283 0.058852 0.078909 -0.117612 30O 3pz 0.378598 0.573338 -0.182377 -0.264332 -0.305551 -0.796121 30O 3px -0.443891 -0.152709 0.220220 0.037347 0.817385 -0.022656 30O 3py -0.125206 -0.993860 -0.063708 -0.132667 0.089885 0.998377 30O 1dz2 -0.004388 -0.001897 -0.001757 -0.001521 0.002702 0.003171 30O 1dxz -0.002758 -0.003198 0.003083 0.002342 0.004480 0.002449 30O 1dyz 0.002524 -0.001175 0.000097 0.000638 0.004819 0.005318 30O 1dx2y2 0.004379 -0.001820 -0.001306 0.002745 -0.000899 0.000853 30O 1dxy 0.001992 0.002883 0.001539 0.001366 -0.002070 -0.001416 30O 2dz2 -0.024473 -0.024303 0.010154 -0.014870 0.000556 0.034977 30O 2dxz 0.005614 0.003188 0.014317 -0.008964 -0.041294 -0.012108 30O 2dyz -0.030712 -0.017285 -0.051057 -0.020615 -0.035141 0.020641 30O 2dx2y2 -0.005770 -0.016407 0.007776 0.010734 -0.019081 -0.009840 30O 2dxy -0.008756 -0.022133 0.021708 -0.013328 0.043714 0.057578 30O 1f0 0.000694 0.000282 0.001725 0.001069 -0.000048 0.000578 30O 1f+1 0.001275 -0.000915 0.001296 -0.000181 0.000208 0.001339 30O 1f-1 -0.000279 0.000180 -0.000555 0.000855 0.000733 -0.001285 30O 1f+2 -0.001360 -0.000754 -0.001093 -0.000715 -0.003146 -0.003680 30O 1f-2 -0.003171 0.001357 -0.000610 -0.000384 -0.004212 -0.002499 30O 1f+3 0.002033 -0.001198 -0.002797 -0.001379 0.000719 0.000838 30O 1f-3 -0.002288 0.000445 -0.000210 0.000038 -0.004109 -0.005249 31O 1s -0.006592 -0.004856 0.003273 0.000934 -0.009320 -0.005512 31O 2s -0.014098 -0.012093 0.007529 0.003229 -0.020487 -0.011368 31O 3s -0.020736 0.013453 -0.002403 -0.024092 -0.007108 -0.026290 31O 4s 0.351455 0.149026 -0.064068 0.014497 0.522883 0.300536 31O 5s -0.304803 0.494962 -0.532193 0.470616 -2.390789 -0.218480 31O 1pz 0.038358 -0.009131 -0.055126 0.029479 -0.009928 -0.052468 31O 1px -0.008062 -0.008443 0.028466 0.007438 0.037785 -0.018253 31O 1py -0.026753 0.056009 0.022426 -0.033053 0.008916 0.058653 31O 2pz 0.101674 -0.014468 -0.075522 0.057746 -0.075189 -0.092475 31O 2px -0.078863 -0.063970 0.050911 -0.011734 0.111001 -0.130676 31O 2py -0.043505 0.097172 0.061557 -0.076888 0.055699 0.115936 31O 3pz -0.371447 0.567826 -0.182838 0.344750 -0.200621 0.776889 31O 3px 0.440962 -0.157862 0.234204 -0.289641 0.757382 0.028084 31O 3py 0.105874 -0.979652 -0.089922 0.080776 0.128200 -0.975066 31O 1dz2 -0.004425 0.001978 0.001807 -0.000387 -0.002949 0.003209 31O 1dxz -0.002796 0.003196 -0.003199 0.003539 -0.003436 0.002437 31O 1dyz 0.002586 0.001055 -0.000060 0.002130 -0.004311 0.005198 31O 1dx2y2 0.004334 0.001697 0.001222 0.002403 0.001662 0.000807 31O 1dxy 0.001928 -0.002883 -0.001568 0.000448 0.002373 -0.001265 31O 2dz2 -0.024365 0.025000 -0.008828 -0.013997 -0.005376 0.035702 31O 2dxz 0.005116 -0.002998 -0.013940 -0.021748 0.035759 -0.011621 31O 2dyz -0.030562 0.018665 0.052550 -0.027576 0.027800 0.018783 31O 2dx2y2 -0.005709 0.016298 -0.008188 0.003641 0.021179 -0.009927 31O 2dxy -0.007798 0.022182 -0.019832 -0.001052 -0.045201 0.057775 31O 1f0 -0.000768 0.000288 0.001721 -0.000870 -0.000354 -0.000588 31O 1f+1 -0.001294 -0.000904 0.001230 0.000200 0.000286 -0.001372 31O 1f-1 0.000341 0.000191 -0.000493 -0.001055 0.000440 0.001310 31O 1f+2 0.001417 -0.000829 -0.001043 0.001557 -0.002727 0.003737 31O 1f-2 0.003220 0.001280 -0.000541 0.001596 -0.003875 0.002551 31O 1f+3 -0.002091 -0.001187 -0.002876 0.000939 0.001081 -0.000772 31O 1f-3 0.002305 0.000385 -0.000077 0.001195 -0.003876 0.005305 32O 1s -0.000496 -0.001870 -0.010171 -0.001369 -0.013092 0.000873 32O 2s 0.000140 -0.003309 -0.020315 -0.000515 -0.025727 0.001531 32O 3s -0.019829 -0.014888 -0.045664 -0.044952 -0.067913 0.007161 32O 4s 0.104473 0.160730 0.694888 0.280122 0.932612 -0.072841 32O 5s -0.195656 -0.409223 -1.673851 -0.686726 -2.213562 0.159452 32O 1pz 0.007321 -0.003223 -0.006462 0.000934 -0.020632 -0.003503 32O 1px -0.009353 -0.011905 0.023983 -0.018944 0.026669 -0.000263 32O 1py 0.009570 -0.002308 -0.006900 0.006506 -0.009573 -0.011532 32O 2pz -0.033370 -0.008003 -0.044767 0.006508 -0.071865 -0.014728 32O 2px 0.014549 0.015061 0.141302 0.034026 0.181307 -0.021582 32O 2py -0.020898 -0.046159 -0.051018 0.050080 -0.036363 0.010099 32O 3pz 0.050820 -0.112416 0.120884 -0.233476 0.111195 0.185136 32O 3px -0.060693 -0.192170 -0.569831 -0.033089 -0.831871 0.092443 32O 3py 0.177252 0.209824 -0.078760 -0.334762 -0.208848 -0.085251 32O 1dz2 -0.000718 -0.000507 0.002155 0.003580 0.002216 -0.001184 32O 1dxz 0.000585 -0.000767 -0.000155 0.003559 0.002549 0.001026 32O 1dyz -0.000142 0.001819 0.000527 0.001820 0.001355 -0.002529 32O 1dx2y2 0.000522 0.001455 0.002016 -0.001259 0.002213 -0.000226 32O 1dxy -0.002753 -0.001135 -0.000891 -0.000680 0.000277 0.000803 32O 2dz2 -0.029905 -0.021662 -0.007071 0.002496 -0.008164 0.024626 32O 2dxz 0.002055 -0.000496 -0.032748 0.013908 0.026174 -0.004245 32O 2dyz 0.014199 0.010960 0.001859 -0.020437 0.001982 -0.010158 32O 2dx2y2 0.054323 0.019503 0.039382 0.074173 0.090210 -0.020793 32O 2dxy -0.029633 -0.030668 -0.022437 0.052657 0.011850 0.029121 32O 1f0 -0.000913 -0.000854 -0.001455 0.001054 -0.001884 -0.000269 32O 1f+1 -0.000572 0.000356 0.001173 -0.000827 0.000544 0.000315 32O 1f-1 -0.000659 0.000001 -0.000539 0.000462 -0.001009 -0.000970 32O 1f+2 0.001155 0.001006 0.000965 -0.000957 0.002057 -0.000772 32O 1f-2 0.001944 -0.000693 -0.001024 -0.000514 -0.000383 0.000911 32O 1f+3 -0.001696 -0.000159 0.001070 -0.001953 -0.000675 0.000429 32O 1f-3 -0.002322 -0.000657 0.000226 -0.000828 -0.000157 -0.000021 33O 1s -0.000557 0.000365 -0.003835 0.003981 0.002678 0.004022 33O 2s -0.000960 0.000525 -0.007505 0.009166 0.005096 0.008421 33O 3s 0.000317 0.005773 -0.017173 -0.008115 0.015293 0.020597 33O 4s 0.048093 -0.042841 0.319401 -0.177312 -0.119095 -0.224495 33O 5s -0.678166 -0.073204 -1.956976 1.095698 -0.163745 0.010833 33O 1pz -0.010736 0.041738 -0.014710 0.047477 -0.027651 0.061132 33O 1px 0.027548 -0.013922 0.004775 -0.005708 0.035178 -0.001935 33O 1py 0.006971 0.018176 0.023807 0.041654 -0.023654 0.035692 33O 2pz -0.049576 0.079070 -0.074565 0.130407 -0.058780 0.089643 33O 2px 0.134044 0.000992 0.071189 -0.076434 0.042363 0.107344 33O 2py 0.024799 0.049291 0.005547 0.072726 -0.023103 0.084832 33O 3pz 0.227634 -0.540870 -0.415489 -0.362698 0.098874 -0.966284 33O 3px -0.142246 0.035027 0.712280 0.052876 0.285390 -0.029175 33O 3py -0.275030 -0.060799 -0.062445 -0.178292 -0.047262 -0.297616 33O 1dz2 0.000478 -0.000808 0.000222 -0.002673 -0.003515 0.003974 33O 1dxz 0.001815 -0.003624 -0.006840 -0.000069 -0.000204 -0.004447 33O 1dyz 0.002858 0.000341 0.005492 -0.001160 0.000377 0.003905 33O 1dx2y2 0.000553 -0.001062 0.000950 0.002164 0.002498 0.000157 33O 1dxy -0.002524 -0.000696 -0.001559 0.003424 -0.001264 0.001615 33O 2dz2 -0.027414 0.003030 -0.024752 0.005663 -0.009846 0.002601 33O 2dxz 0.006231 0.003640 0.013137 -0.007777 0.036295 0.038859 33O 2dyz -0.005901 0.014514 0.035098 0.049840 -0.030924 0.042233 33O 2dx2y2 -0.014058 -0.007615 -0.013014 0.020606 0.014641 0.012780 33O 2dxy 0.002097 0.000916 0.018181 0.027569 -0.008417 0.044415 33O 1f0 0.002567 -0.002182 0.000124 -0.001072 0.000512 0.002767 33O 1f+1 0.001809 0.000373 0.001547 -0.001293 -0.003310 0.002890 33O 1f-1 0.001844 0.000534 0.001322 0.000434 -0.001934 0.003160 33O 1f+2 -0.003212 0.000064 0.000034 0.002621 -0.000552 -0.005426 33O 1f-2 0.000552 0.000026 0.001221 -0.000769 -0.001386 -0.000807 33O 1f+3 -0.001483 -0.000886 0.000058 0.001301 -0.002277 -0.000946 33O 1f-3 0.001467 0.000413 0.000740 -0.000655 -0.000258 0.002852 34O 1s -0.004526 -0.013547 -0.019523 0.004007 -0.002065 -0.001707 34O 2s -0.009114 -0.030845 -0.043368 0.009830 -0.004922 -0.003429 34O 3s -0.030025 -0.004053 -0.011776 -0.017899 0.001127 -0.014634 34O 4s 0.310327 0.584097 0.862587 -0.100814 0.003086 0.066019 34O 5s 0.202321 -0.345899 -2.091208 0.337467 0.929137 0.604710 34O 1pz -0.043085 -0.020243 0.009607 0.035567 -0.020209 -0.005432 34O 1px -0.054293 -0.020222 0.009388 -0.004603 0.002837 0.033517 34O 1py 0.055427 0.043654 0.001925 -0.012993 -0.021418 0.024164 34O 2pz -0.138733 -0.024065 0.006723 0.084150 0.015753 -0.054746 34O 2px -0.027161 0.004368 -0.056885 0.033215 0.059589 0.198444 34O 2py 0.156448 0.124965 -0.035164 -0.035000 -0.062261 0.088956 34O 3pz 0.726935 0.208525 0.275514 -0.451578 -0.329986 0.164522 34O 3px 1.295065 0.995830 -0.076621 0.051763 0.686767 -0.372219 34O 3py -1.239749 -0.941622 0.087828 -0.101840 -0.072753 -0.254680 34O 1dz2 0.005201 0.002186 -0.001268 -0.000847 0.000139 0.001675 34O 1dxz -0.000320 -0.000099 -0.002222 -0.000050 -0.001455 -0.002899 34O 1dyz -0.001741 -0.001206 -0.001363 -0.000250 0.003379 0.005034 34O 1dx2y2 -0.004074 -0.003880 0.002695 -0.000256 -0.003923 0.001348 34O 1dxy 0.005908 0.001051 -0.001412 0.003310 0.004827 0.002587 34O 2dz2 -0.016922 -0.019999 -0.001291 0.007400 -0.019940 -0.010697 34O 2dxz 0.002033 -0.009574 -0.006687 -0.005914 -0.003725 0.010808 34O 2dyz 0.031121 0.024120 0.002219 -0.018453 0.042588 0.005112 34O 2dx2y2 0.047945 0.026956 -0.001310 0.028600 0.012424 0.005555 34O 2dxy -0.005494 0.000875 0.001586 -0.006863 -0.010754 -0.020393 34O 1f0 0.001426 -0.000477 -0.001744 -0.000050 0.000440 0.000811 34O 1f+1 -0.002013 0.000035 -0.000252 -0.000941 -0.000849 -0.002980 34O 1f-1 -0.000062 -0.000351 -0.000455 0.001054 -0.000280 0.000009 34O 1f+2 -0.000350 -0.000281 -0.002608 -0.000476 0.000349 0.000219 34O 1f-2 0.001766 -0.000351 -0.002037 -0.000123 0.000054 0.004033 34O 1f+3 -0.003763 -0.001241 0.002671 -0.001731 0.000417 -0.006301 34O 1f-3 0.002555 0.000693 -0.002289 0.001137 0.001441 0.000809 35O 1s 0.005265 0.012225 0.010031 -0.001660 -0.018526 0.006301 35O 2s 0.011618 0.027022 0.022247 -0.002334 -0.042174 0.013037 35O 3s 0.010786 0.004980 0.003823 -0.029814 0.001174 0.029271 35O 4s -0.267642 -0.592306 -0.518301 0.202436 0.756052 -0.317770 35O 5s 0.215104 2.529682 2.079602 -0.318318 -0.936863 -0.203586 35O 1pz 0.058313 -0.030002 -0.013744 -0.003480 -0.023122 0.019468 35O 1px 0.028121 0.007313 0.020520 -0.054383 0.006949 -0.047405 35O 1py 0.040059 0.012495 -0.006779 -0.024530 0.005833 0.001352 35O 2pz 0.144421 -0.074706 -0.028947 -0.034970 -0.046055 0.128493 35O 2px 0.004266 0.128313 0.095305 -0.108099 0.002459 -0.203918 35O 2py 0.066485 -0.001294 0.062556 -0.050004 -0.026592 0.025155 35O 3pz -0.890363 0.114679 -0.150649 0.586501 0.546581 -0.494383 35O 3px -0.509900 0.625240 0.638571 0.935217 0.609587 0.205690 35O 3py -0.325213 0.808747 -0.011869 0.606248 0.716616 -0.573489 35O 1dz2 -0.002135 0.000319 0.001811 0.002885 0.001051 0.002673 35O 1dxz 0.002448 0.000024 0.000546 -0.002681 -0.001429 0.001027 35O 1dyz 0.001119 0.001166 -0.002324 0.000361 0.002552 0.005020 35O 1dx2y2 0.001519 -0.005089 -0.002641 -0.001440 -0.000544 -0.000378 35O 1dxy -0.000170 -0.007199 -0.004264 -0.002702 -0.001782 0.004867 35O 2dz2 0.046997 -0.040798 -0.012791 -0.022860 -0.015634 -0.005304 35O 2dxz -0.013124 0.003665 0.036676 0.000696 -0.004059 -0.021465 35O 2dyz 0.022663 0.019143 -0.012541 -0.001434 -0.008678 -0.004916 35O 2dx2y2 -0.002729 0.007802 0.022999 0.012673 0.010773 -0.008389 35O 2dxy -0.007063 0.017855 0.036925 0.006828 0.002078 -0.020676 35O 1f0 0.000222 0.000898 -0.000691 -0.000141 0.001481 -0.000625 35O 1f+1 0.003205 -0.003177 -0.003668 -0.001381 0.000812 0.004945 35O 1f-1 0.000410 -0.002602 -0.003287 -0.000505 0.003406 0.002789 35O 1f+2 -0.001547 0.000399 0.000685 -0.000633 -0.002415 -0.001334 35O 1f-2 0.000079 -0.000228 -0.000771 0.000604 0.000628 0.003854 35O 1f+3 0.001806 -0.000134 -0.001326 -0.000771 -0.000460 0.002357 35O 1f-3 0.002549 -0.002084 -0.002516 -0.001412 -0.000215 0.003031 264 265 266 267 268 269 0.96275 0.96683 0.96997 0.97403 0.98185 1.00035 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s -0.001029 -0.000525 -0.000976 -0.001133 -0.001091 -0.000702 0Rh 2s 0.002842 0.003742 0.002866 0.004967 0.007306 0.001994 0Rh 3s -0.004262 -0.000761 -0.003935 -0.003560 -0.001876 -0.002872 0Rh 4s -0.012577 -0.017989 -0.012763 -0.023175 -0.034996 -0.008828 0Rh 5s 0.000321 0.031750 0.002171 0.026010 0.058927 0.000205 0Rh 6s 0.073184 -0.031986 0.067116 0.022512 -0.046674 0.053127 0Rh 7s -0.340868 0.046445 -0.304047 0.419475 -0.032502 -0.247173 0Rh 8s -0.221077 0.966783 -0.102172 0.352210 1.298201 -0.078385 0Rh 1pz -0.012633 0.018465 -0.013476 0.001385 0.004819 -0.008626 0Rh 1px -0.001385 -0.004076 -0.000704 -0.008092 -0.017266 -0.000177 0Rh 1py 0.011611 0.000519 -0.004758 0.010031 -0.011761 -0.005234 0Rh 2pz 0.042432 -0.062676 0.045227 -0.004802 -0.016686 0.028821 0Rh 2px 0.004789 0.014314 0.002535 0.027398 0.059257 0.000632 0Rh 2py -0.039074 -0.001678 0.016071 -0.033887 0.040046 0.017511 0Rh 3pz -0.008148 0.025230 -0.007744 0.003871 0.013718 -0.001823 0Rh 3px -0.003312 -0.016028 -0.003619 -0.009085 -0.037858 -0.000648 0Rh 3py 0.008828 -0.001072 -0.004869 0.010215 -0.018432 -0.001466 0Rh 4pz -0.193026 0.233877 -0.209466 0.011230 0.031453 -0.147707 0Rh 4px -0.015930 -0.007891 -0.001902 -0.114085 -0.157388 -0.002864 0Rh 4py 0.173632 0.013688 -0.066252 0.140926 -0.141279 -0.089032 0Rh 5pz 0.278570 -0.311676 0.291097 -0.018658 0.004380 0.221475 0Rh 5px 0.047453 -0.062269 0.015472 0.191013 0.093909 0.017791 0Rh 5py -0.249185 -0.027387 0.091182 -0.203372 0.188713 0.139166 0Rh 6pz -1.789754 0.974801 -1.267563 0.336968 -0.884580 -0.868423 0Rh 6px -0.973267 1.490301 -0.405591 -1.563027 1.812190 -0.310905 0Rh 6py 1.234751 0.060283 -0.857987 0.990179 -0.676459 -0.753931 0Rh 1dz2 0.000736 -0.017949 0.007328 0.008131 -0.015875 -0.013332 0Rh 1dxz 0.001505 -0.002821 0.013177 -0.029056 -0.025871 0.020869 0Rh 1dyz -0.001709 -0.001881 0.022522 -0.015416 -0.000152 -0.032344 0Rh 1dx2y2 -0.000331 0.007113 0.002218 0.018564 0.021227 -0.006670 0Rh 1dxy -0.023257 0.016716 0.005890 0.021436 0.003779 -0.002381 0Rh 2dz2 -0.000713 0.003782 -0.000330 -0.001957 0.004120 0.004235 0Rh 2dxz -0.000116 -0.000275 -0.002966 0.005534 0.005784 -0.005040 0Rh 2dyz -0.002184 -0.001612 -0.002824 0.002882 0.001512 0.008101 0Rh 2dx2y2 -0.000879 -0.002511 -0.000769 -0.002948 -0.005290 0.001347 0Rh 2dxy 0.005155 -0.004534 -0.000486 -0.005208 -0.000949 0.000183 0Rh 3dz2 0.001548 0.021433 -0.013860 -0.008852 0.015324 0.009869 0Rh 3dxz -0.002664 0.006698 -0.014999 0.036873 0.029151 -0.022452 0Rh 3dyz 0.012908 0.011015 -0.035023 0.019987 -0.006348 0.032977 0Rh 3dx2y2 0.004424 -0.003841 -0.001402 -0.025713 -0.021294 0.008156 0Rh 3dxy 0.026802 -0.015455 -0.010224 -0.022604 -0.003824 0.003918 0Rh 4dz2 -0.012219 0.066910 -0.009928 -0.033420 0.077252 0.071975 0Rh 4dxz -0.001524 0.003030 -0.051145 0.107835 0.109775 -0.087625 0Rh 4dyz -0.032515 -0.027530 -0.055391 0.053412 0.025961 0.147423 0Rh 4dx2y2 -0.013194 -0.045396 -0.012878 -0.064123 -0.099688 0.025091 0Rh 4dxy 0.088598 -0.082100 -0.010926 -0.093618 -0.015722 0.007830 0Rh 5dz2 0.066803 -0.095911 -0.044155 0.088438 -0.241433 -0.243492 0Rh 5dxz -0.022468 0.014819 0.095963 -0.290685 -0.282799 0.204346 0Rh 5dyz 0.231094 0.253358 0.001139 -0.091684 -0.188396 -0.484774 0Rh 5dx2y2 0.097383 0.135964 0.053107 0.181478 0.246158 -0.050719 0Rh 5dxy -0.150226 0.271842 -0.006407 0.277138 -0.017603 -0.048424 0Rh 1f0 -0.012006 0.004280 -0.004475 -0.001562 0.012430 -0.004459 0Rh 1f+1 0.004930 -0.007143 -0.000735 -0.014381 -0.001820 -0.000672 0Rh 1f-1 -0.003140 -0.021638 0.009229 -0.011507 0.020586 0.009518 0Rh 1f+2 -0.012314 0.018734 -0.007278 -0.019656 0.005922 -0.006378 0Rh 1f-2 -0.007711 0.005893 0.001127 -0.018424 0.011977 0.014782 0Rh 1f+3 0.007935 -0.013711 0.004132 -0.010102 -0.004038 0.003018 0Rh 1f-3 0.011297 -0.003267 0.006466 -0.017166 -0.003201 -0.010052 1Rh 1s -0.000992 0.000520 -0.000878 0.001259 0.001155 -0.000781 1Rh 2s 0.002595 -0.003762 0.002338 -0.005309 -0.007463 0.002397 1Rh 3s -0.004194 0.000719 -0.003689 0.004089 0.002153 -0.003083 1Rh 4s -0.011396 0.018099 -0.010262 0.024682 0.035676 -0.010730 1Rh 5s -0.001675 -0.032267 -0.001436 -0.025860 -0.058612 0.002729 1Rh 6s 0.074990 0.033688 0.068094 -0.032280 0.041108 0.053701 1Rh 7s -0.357172 -0.051860 -0.327611 -0.372305 0.059586 -0.245908 1Rh 8s -0.268503 -0.977282 -0.179800 -0.335594 -1.288925 -0.054090 1Rh 1pz 0.012225 0.018629 0.013707 0.000105 0.004382 0.008144 1Rh 1px 0.000744 -0.003799 -0.000390 -0.008180 -0.017301 0.000931 1Rh 1py -0.011686 0.000438 0.005241 0.010085 -0.011530 0.005557 1Rh 2pz -0.041057 -0.063225 -0.046025 -0.000512 -0.015221 -0.027176 1Rh 2px -0.002594 0.013381 0.001202 0.027706 0.059384 -0.003214 1Rh 2py 0.039337 -0.001395 -0.017693 -0.034069 0.039269 -0.018581 1Rh 3pz 0.007803 0.025292 0.008324 0.003257 0.013489 0.000985 1Rh 3px 0.002025 -0.015823 0.001589 -0.009314 -0.038001 0.002113 1Rh 3py -0.009106 -0.001321 0.005093 0.010238 -0.018261 0.001333 1Rh 4pz 0.187004 0.236618 0.211349 -0.009116 0.024612 0.142254 1Rh 4px 0.009421 -0.003785 -0.009869 -0.115172 -0.157681 0.010683 1Rh 4py -0.173904 0.013230 0.074079 0.141787 -0.137783 0.095364 1Rh 5pz -0.269282 -0.316166 -0.292213 0.009885 0.013790 -0.214720 1Rh 5px -0.040744 -0.067748 -0.002297 0.194801 0.095357 -0.025509 1Rh 5py 0.248676 -0.028103 -0.103286 -0.204334 0.183535 -0.149801 1Rh 6pz 1.745374 1.002571 1.256775 0.208673 -0.930199 0.855326 1Rh 6px 0.981604 1.505257 0.394441 -1.629214 1.779107 0.283194 1Rh 6py -1.218695 0.084795 0.925657 0.966117 -0.654052 0.860395 1Rh 1dz2 0.000231 0.018141 0.008187 -0.008986 0.015459 -0.013233 1Rh 1dxz 0.002562 0.002950 0.015381 0.027778 0.025347 0.019314 1Rh 1dyz -0.001342 0.002131 0.023183 0.013581 -0.000807 -0.032455 1Rh 1dx2y2 -0.001684 -0.007561 0.000916 -0.018243 -0.020902 -0.004449 1Rh 1dxy -0.023390 -0.017200 0.004050 -0.021457 -0.003102 -0.003609 1Rh 2dz2 -0.000580 -0.003829 -0.000507 0.002043 -0.004028 0.004242 1Rh 2dxz -0.000341 0.000280 -0.003395 -0.005270 -0.005705 -0.004724 1Rh 2dyz -0.002263 0.001464 -0.002949 -0.002585 -0.001245 0.008123 1Rh 2dx2y2 -0.000620 0.002552 -0.000528 0.002936 0.005288 0.000804 1Rh 2dxy 0.005193 0.004578 -0.000024 0.005165 0.000801 0.000435 1Rh 3dz2 0.002044 -0.021630 -0.014883 0.010264 -0.014850 0.009613 1Rh 3dxz -0.003902 -0.006986 -0.017746 -0.035322 -0.028389 -0.020564 1Rh 3dyz 0.012481 -0.010903 -0.035872 -0.017420 0.007205 0.033113 1Rh 3dx2y2 0.006125 0.004606 0.000238 0.025105 0.020627 0.005840 1Rh 3dxy 0.026910 0.016280 -0.008350 0.022827 0.003026 0.005442 1Rh 4dz2 -0.009996 -0.067818 -0.013340 0.035307 -0.075573 0.072195 1Rh 4dxz -0.005750 -0.003046 -0.059554 -0.103220 -0.108332 -0.081366 1Rh 4dyz -0.033963 0.025101 -0.057690 -0.047922 -0.021185 0.147864 1Rh 4dx2y2 -0.008161 0.046324 -0.007768 0.063719 0.099509 0.015037 1Rh 4dxy 0.089300 0.083077 -0.002721 0.093041 0.013245 0.012306 1Rh 5dz2 0.059782 0.098778 -0.036666 -0.086740 0.236768 -0.246520 1Rh 5dxz -0.012261 -0.016514 0.117319 0.283584 0.282645 0.185582 1Rh 5dyz 0.233723 -0.242951 0.005043 0.087756 0.170538 -0.486485 1Rh 5dx2y2 0.086916 -0.135404 0.040179 -0.184977 -0.251297 -0.020669 1Rh 5dxy -0.151826 -0.270957 -0.028841 -0.274523 0.019878 -0.058967 1Rh 1f0 0.011946 0.004282 0.004558 -0.002047 0.012113 0.004154 1Rh 1f+1 -0.005187 -0.007225 -0.000052 -0.014157 -0.001862 0.001222 1Rh 1f-1 0.003829 -0.021795 -0.009626 -0.010997 0.020647 -0.009656 1Rh 1f+2 0.011121 0.019049 0.006149 -0.020490 0.005573 0.006174 1Rh 1f-2 0.007379 0.006016 -0.001989 -0.018528 0.011475 -0.015189 1Rh 1f+3 -0.007988 -0.013640 -0.004528 -0.009609 -0.003856 -0.002150 1Rh 1f-3 -0.011709 -0.003308 -0.007751 -0.016757 -0.002496 0.010242 2C 1s -0.000864 0.004598 0.005436 -0.002115 -0.002936 -0.007180 2C 2s -0.001618 0.010785 0.011475 -0.004039 -0.005098 -0.017196 2C 3s 0.025289 -0.018657 -0.033422 -0.029447 -0.062443 -0.071367 2C 4s -0.137257 -0.055589 -0.030451 0.201496 0.396421 0.758040 2C 5s -1.451004 -1.174247 0.105809 0.649747 -0.081683 2.376579 2C 1pz 0.070923 -0.099735 -0.078476 0.044295 0.072761 0.084976 2C 1px -0.005382 -0.094054 -0.027422 0.002648 -0.016183 0.086155 2C 1py -0.069553 -0.042326 -0.110787 -0.017368 0.004486 0.017961 2C 2pz 0.223166 -0.557518 -0.527886 0.275213 0.462876 0.656950 2C 2px 0.084425 -0.364141 0.235997 0.267951 0.161151 0.697544 2C 2py -0.183680 -0.200345 -0.452312 0.019031 0.355207 0.285364 2C 3pz -0.004874 -0.533286 -0.112304 0.198977 0.358480 0.740365 2C 3px -0.134216 -0.436033 0.190228 -0.010179 0.215299 0.619915 2C 3py -0.640399 -0.312745 -0.351651 0.102256 -0.276373 0.409526 2C 1dz2 -0.005190 0.003404 -0.001232 -0.005419 -0.005436 -0.005231 2C 1dxz -0.002608 0.002665 0.006839 -0.001310 0.002114 -0.000237 2C 1dyz -0.001865 0.000724 0.005969 0.000615 -0.001178 0.002144 2C 1dx2y2 -0.001737 -0.002375 -0.001166 -0.000909 0.001825 0.004416 2C 1dxy 0.004373 -0.001551 0.007566 0.001293 0.002912 0.005507 2C 2dz2 0.303635 -0.333629 -0.277090 0.151788 0.583481 0.273141 2C 2dxz -0.165684 0.089156 -0.682411 -0.261204 0.055859 -0.536480 2C 2dyz 0.075583 -0.804432 -0.531321 0.258797 0.359085 0.765274 2C 2dx2y2 -0.152357 -0.007548 0.326040 -0.062778 -0.023044 0.223104 2C 2dxy 0.344164 -0.303111 -0.113907 0.083219 0.059981 0.204191 2C 1f0 -0.010312 -0.002411 0.004712 -0.001770 0.008735 0.009892 2C 1f+1 0.011986 -0.018722 0.000313 0.009764 0.008111 0.025427 2C 1f-1 0.006944 -0.021327 -0.024308 0.005042 0.019412 0.017535 2C 1f+2 0.004377 0.009058 -0.011562 -0.005717 -0.002056 -0.027783 2C 1f-2 -0.010800 0.018023 0.003883 -0.005852 -0.006065 -0.011059 2C 1f+3 -0.000818 -0.018129 -0.030134 0.001123 0.014951 0.003963 2C 1f-3 0.005447 -0.022292 0.004698 0.009824 0.006942 0.031437 3C 1s 0.002130 -0.000211 -0.004408 -0.005501 0.001793 0.008552 3C 2s 0.003507 -0.000488 -0.009708 -0.011235 0.003767 0.019932 3C 3s -0.028816 -0.013858 0.023457 -0.032988 0.010843 0.068073 3C 4s 0.097188 0.086825 0.018010 0.295394 -0.167300 -0.796208 3C 5s 0.757641 0.145930 -0.914816 1.517909 1.002699 -3.610273 3C 1pz -0.090579 -0.026759 0.024763 0.034313 0.003125 0.030932 3C 1px -0.039944 -0.038670 0.057750 0.045679 -0.088877 -0.013764 3C 1py 0.019054 -0.017526 -0.075731 -0.116747 0.019846 0.155726 3C 2pz -0.462530 -0.242733 0.193180 0.230820 -0.044145 -0.092354 3C 2px 0.188219 0.024833 0.325226 0.492290 -0.225907 -0.254480 3C 2py 0.180997 -0.090219 -0.402743 -0.733491 0.293454 0.987081 3C 3pz -0.438965 0.034028 -0.101295 0.271770 -0.093079 -0.082105 3C 3px 0.023189 0.136053 -0.034636 0.233470 -0.195920 -0.365875 3C 3py -0.304338 0.096934 0.012303 -0.772583 -0.336429 1.402416 3C 1dz2 -0.002322 0.003033 0.001767 0.000667 0.000510 0.000621 3C 1dxz 0.003331 0.003731 -0.003293 -0.001301 0.003564 -0.002848 3C 1dyz -0.003179 -0.000847 0.002299 0.001877 0.000395 0.002688 3C 1dx2y2 0.004752 0.006586 0.005898 0.004807 -0.000962 -0.006092 3C 1dxy -0.009613 -0.003622 0.000857 -0.000236 -0.002531 -0.004090 3C 2dz2 -0.126104 0.018550 -0.164826 -0.169991 -0.068563 0.463224 3C 2dxz -0.448926 -0.040071 -0.056970 0.017187 0.048334 -0.269623 3C 2dyz -0.035779 -0.164935 -0.557915 -0.894084 0.469716 0.727905 3C 2dx2y2 0.303988 0.152179 -0.395650 -0.493504 -0.050935 0.019633 3C 2dxy 0.576560 0.238046 -0.273617 -0.224748 0.259934 0.039793 3C 1f0 0.023687 0.011432 -0.021119 -0.025731 0.007082 0.003131 3C 1f+1 0.017024 0.006284 0.004504 0.007039 -0.010418 -0.005287 3C 1f-1 0.006099 -0.003543 -0.010385 -0.017225 0.011893 0.020989 3C 1f+2 -0.004914 -0.003340 0.008753 0.007467 -0.003909 0.007707 3C 1f-2 -0.009075 -0.000707 -0.002202 -0.006691 0.006891 0.011066 3C 1f+3 -0.004733 0.000848 0.010584 0.020765 -0.007815 -0.034880 3C 1f-3 -0.008777 -0.005158 -0.020016 -0.027531 0.014311 0.018694 4C 1s -0.008088 -0.003896 -0.000793 -0.001388 -0.001740 0.002363 4C 2s -0.021488 -0.005372 0.002709 -0.005874 -0.008611 -0.000456 4C 3s 0.112599 -0.192824 -0.298417 0.157608 0.280793 0.327400 4C 4s -0.238092 1.463327 1.769281 -0.829080 -1.554057 -1.562352 4C 5s 2.008254 0.162963 -0.879671 0.078226 0.131385 -1.045611 4C 1pz 0.018762 0.022328 -0.033498 0.009198 0.032633 0.024244 4C 1px -0.007528 0.010931 0.035223 0.047786 -0.010148 0.078761 4C 1py 0.033291 0.025587 -0.010231 0.045172 0.022779 0.005223 4C 2pz 0.350071 -0.651000 -0.597417 0.171245 0.792940 0.477595 4C 2px -0.082991 -0.498644 -0.321209 -0.033237 -0.610892 0.187827 4C 2py 0.193026 -0.580531 -0.465098 0.117766 0.259517 0.379192 4C 3pz -0.883951 -0.101613 0.401261 0.482199 -0.228348 1.308211 4C 3px -0.505873 -0.497713 -1.163383 -0.400694 -1.295464 -0.286183 4C 3py -0.193079 -0.321714 0.063030 0.056959 -0.035530 0.696031 4C 1dz2 -0.003336 -0.004357 -0.002213 0.005993 0.000562 0.014479 4C 1dxz -0.003584 -0.004689 -0.009715 0.001106 0.000348 0.000352 4C 1dyz 0.000628 -0.010146 -0.000592 0.001593 0.008966 0.013688 4C 1dx2y2 -0.001117 0.002639 0.007102 -0.002332 -0.008847 -0.007206 4C 1dxy -0.001369 -0.006206 -0.003091 -0.003002 -0.007080 -0.003446 4C 2dz2 0.166643 0.066141 0.080221 -0.005671 0.105573 -0.264192 4C 2dxz 0.000831 -0.037118 -0.014533 -0.049714 -0.159161 -0.006227 4C 2dyz 0.038773 0.144025 0.087605 -0.096274 -0.148119 -0.430442 4C 2dx2y2 0.212655 -0.034239 0.131569 0.106716 0.196435 0.079999 4C 2dxy 0.017669 -0.052529 -0.076023 -0.065902 -0.355295 -0.129969 4C 1f0 0.001460 -0.004728 -0.010664 -0.000653 -0.002843 0.003649 4C 1f+1 -0.003690 -0.009992 -0.005742 0.009498 0.017400 0.026660 4C 1f-1 0.005628 -0.009978 -0.016651 0.008125 0.026422 0.013244 4C 1f+2 0.002763 0.013016 0.022575 -0.002518 0.001225 -0.012372 4C 1f-2 0.001837 -0.010904 -0.003157 0.005467 0.003214 0.015995 4C 1f+3 0.003848 0.002381 0.006644 0.005542 0.017355 0.006149 4C 1f-3 -0.001573 -0.001885 -0.005170 0.006803 0.023817 0.011183 5C 1s -0.000228 -0.002661 -0.006873 0.005022 0.004715 -0.007886 5C 2s 0.001464 -0.007257 -0.022095 0.006910 0.014730 -0.013820 5C 3s -0.158455 0.042062 0.318345 0.308115 -0.196780 -0.297966 5C 4s 1.122210 -0.069800 -1.383453 -2.313757 0.774123 1.723566 5C 5s -0.601448 0.441840 2.085690 -1.222574 -1.523371 2.119922 5C 1pz -0.013058 0.044033 0.025192 -0.020311 -0.000707 -0.002262 5C 1px 0.062269 -0.009290 0.054978 0.061630 -0.019000 -0.004632 5C 1py 0.035275 -0.013966 -0.019886 0.011156 0.020405 0.036246 5C 2pz -0.183929 0.136451 0.361835 0.522360 -0.019135 -0.373185 5C 2px -0.206273 -0.611769 0.311724 0.253048 -0.805426 -0.193838 5C 2py 0.347314 0.038296 -0.631780 -0.851283 0.294927 0.555602 5C 3pz 0.945388 0.313416 -0.315624 0.218620 0.804822 -1.451987 5C 3px -0.638763 -1.042805 -0.074416 -0.221294 -0.882125 -0.592237 5C 3py -0.379633 -0.642087 0.693085 -0.098200 -0.432111 1.585576 5C 1dz2 0.003866 -0.001238 0.004747 0.002488 0.006192 -0.001904 5C 1dxz -0.007691 -0.002215 0.001116 0.003709 -0.005186 -0.007799 5C 1dyz -0.008424 0.001282 -0.004387 -0.010962 -0.002341 0.011624 5C 1dx2y2 0.001269 -0.004737 -0.005220 -0.010284 0.003782 0.011591 5C 1dxy 0.004761 0.001565 -0.002303 -0.005968 0.003752 0.007761 5C 2dz2 -0.028018 -0.019758 -0.043862 0.076854 0.060717 -0.105272 5C 2dxz -0.296965 -0.214351 -0.159322 -0.138497 -0.219346 0.177614 5C 2dyz 0.090496 -0.069028 0.048217 0.202753 -0.054165 -0.562360 5C 2dx2y2 -0.032026 -0.129116 0.054417 0.002946 -0.259688 -0.051275 5C 2dxy -0.085368 0.202712 -0.046042 0.105854 0.035490 -0.179235 5C 1f0 0.001634 -0.009801 -0.006378 -0.011122 -0.003499 0.004187 5C 1f+1 -0.003276 0.010413 0.002509 0.012675 0.006338 -0.009758 5C 1f-1 0.004070 -0.003290 -0.000921 -0.000715 -0.004437 -0.001879 5C 1f+2 0.015404 0.008555 -0.008440 -0.008734 0.012597 0.011461 5C 1f-2 0.008878 0.012587 -0.012536 -0.016909 0.020372 0.019005 5C 1f+3 0.002795 0.010545 0.015759 0.029588 -0.000168 -0.022027 5C 1f-3 0.012974 0.003314 -0.001348 -0.008585 0.007399 0.020850 6C 1s -0.000321 0.002820 -0.007422 -0.004449 -0.004663 -0.008534 6C 2s 0.001308 0.007652 -0.023193 -0.005204 -0.014379 -0.015329 6C 3s -0.162339 -0.044072 0.305118 -0.325259 0.184740 -0.304364 6C 4s 1.147842 0.082494 -1.257569 2.368705 -0.721433 1.823408 6C 5s -0.575855 -0.539739 2.208424 1.122883 1.497281 2.312744 6C 1pz 0.011929 0.045148 -0.025562 -0.019035 0.000330 0.002578 6C 1px -0.060704 -0.009745 -0.052833 0.067357 -0.017040 0.004822 6C 1py -0.034727 -0.014197 0.021724 0.010126 0.020315 -0.034348 6C 2pz 0.200322 0.143734 -0.320602 0.538720 -0.006576 0.380906 6C 2px 0.192210 -0.604859 -0.329211 0.264309 -0.796388 0.220815 6C 2py -0.368619 0.025154 0.578023 -0.878934 0.276399 -0.575655 6C 3pz -0.913485 0.275823 0.376452 0.232374 0.833519 1.426804 6C 3px 0.621438 -1.048523 0.009105 -0.243189 -0.904280 0.633682 6C 3py 0.379488 -0.580063 -0.720724 -0.080532 -0.411455 -1.531927 6C 1dz2 0.003521 0.001199 0.004335 -0.002916 -0.006497 -0.001996 6C 1dxz -0.007559 0.002197 0.001061 -0.003598 0.005129 -0.008108 6C 1dyz -0.008015 -0.001462 -0.003472 0.011426 0.002956 0.011889 6C 1dx2y2 0.001326 0.004510 -0.004709 0.010696 -0.003500 0.011871 6C 1dxy 0.004790 -0.001703 -0.002067 0.005994 -0.003619 0.008102 6C 2dz2 -0.034604 0.025919 -0.049022 -0.075390 -0.055809 -0.113465 6C 2dxz -0.284597 0.208946 -0.137725 0.156768 0.235212 0.172849 6C 2dyz 0.088661 0.076880 0.035244 -0.208721 0.038670 -0.578534 6C 2dx2y2 -0.027261 0.130592 0.066371 -0.007236 0.259025 -0.049668 6C 2dxy -0.087848 -0.201717 -0.056662 -0.102038 -0.035618 -0.173276 6C 1f0 -0.002124 -0.009978 0.005354 -0.011575 -0.003688 -0.003858 6C 1f+1 0.003683 0.010328 -0.001404 0.012768 0.006483 0.009880 6C 1f-1 -0.004203 -0.003332 0.000688 -0.000678 -0.004327 0.001774 6C 1f+2 -0.015373 0.008363 0.008197 -0.008776 0.012366 -0.012400 6C 1f-2 -0.008699 0.012549 0.012316 -0.017508 0.019767 -0.020145 6C 1f+3 -0.001966 0.010218 -0.013774 0.030800 0.000696 0.022382 6C 1f-3 -0.013080 0.003420 0.000990 -0.008305 0.007152 -0.021864 7C 1s -0.008112 0.003512 -0.000403 0.001764 0.002069 0.002660 7C 2s -0.021299 0.004264 0.003793 0.006559 0.009283 -0.000081 7C 3s 0.098716 0.204375 -0.307803 -0.142437 -0.272965 0.350141 7C 4s -0.151134 -1.520760 1.792545 0.724362 1.500740 -1.734645 7C 5s 2.007054 0.000156 -0.959087 -0.146943 -0.167104 -1.168861 7C 1pz -0.018085 0.022218 0.035038 0.006800 0.032137 -0.026033 7C 1px 0.008424 0.009450 -0.032236 0.050916 -0.011419 -0.081508 7C 1py -0.033030 0.024234 0.013694 0.045261 0.024188 -0.006825 7C 2pz -0.304383 -0.673390 0.610817 0.142986 0.777841 -0.518173 7C 2px 0.068885 -0.505784 0.290693 -0.053203 -0.621466 -0.180562 7C 2py -0.171636 -0.599033 0.467059 0.095424 0.249891 -0.400329 7C 3pz 0.918737 0.002322 -0.387690 0.425682 -0.268281 -1.309690 7C 3px 0.460274 -0.502076 1.108378 -0.499178 -1.331581 0.294270 7C 3py 0.194771 -0.243305 -0.068636 0.013383 -0.044336 -0.638049 7C 1dz2 -0.003875 0.004456 -0.002351 -0.005823 -0.000093 0.015554 7C 1dxz -0.003626 0.004668 -0.009612 -0.000233 -0.000082 0.000860 7C 1dyz 0.000201 0.010058 -0.000638 -0.001579 -0.008767 0.013848 7C 1dx2y2 -0.000935 -0.002660 0.007190 0.001880 0.008696 -0.007809 7C 1dxy -0.001204 0.006047 -0.002530 0.003171 0.007214 -0.003482 7C 2dz2 0.168073 -0.066621 0.074986 -0.004847 -0.116922 -0.273449 7C 2dxz 0.009143 0.036319 -0.008508 0.052760 0.156151 -0.020646 7C 2dyz 0.045339 -0.133381 0.088705 0.086532 0.139185 -0.447986 7C 2dx2y2 0.206187 0.036311 0.115402 -0.121936 -0.207744 0.067234 7C 2dxy 0.028061 0.056838 -0.059439 0.064224 0.355800 -0.130253 7C 1f0 -0.001265 -0.004534 0.010207 -0.001507 -0.003274 -0.003817 7C 1f+1 0.004328 -0.010100 0.006234 0.009009 0.016774 -0.028146 7C 1f-1 -0.004449 -0.010474 0.017408 0.007160 0.026032 -0.014774 7C 1f+2 -0.002954 0.013442 -0.022155 -0.000940 0.001778 0.013466 7C 1f-2 -0.001567 -0.011273 0.003189 0.005531 0.002958 -0.016711 7C 1f+3 -0.003387 0.002187 -0.005857 0.006223 0.017462 -0.007116 7C 1f-3 0.002265 -0.001922 0.005956 0.006358 0.023457 -0.012610 8C 1s 0.002227 0.000254 -0.004067 0.005676 -0.001584 0.008679 8C 2s 0.003729 0.000566 -0.008999 0.011627 -0.003262 0.020103 8C 3s -0.029018 0.010715 0.024873 0.034247 -0.009652 0.071084 8C 4s 0.097312 -0.070133 0.005607 -0.308548 0.155477 -0.812210 8C 5s 0.705615 -0.044290 -1.066318 -1.491467 -1.035519 -3.655211 8C 1pz 0.091523 -0.025283 -0.023782 0.033440 -0.000468 -0.028524 8C 1px 0.038369 -0.038224 -0.058835 0.048501 -0.088467 0.015491 8C 1py -0.021849 -0.018646 0.066763 -0.119607 0.014715 -0.158864 8C 2pz 0.467491 -0.235653 -0.184012 0.230653 -0.051341 0.115415 8C 2px -0.182784 0.020605 -0.303573 0.523548 -0.210892 0.258644 8C 2py -0.193565 -0.088958 0.356139 -0.751828 0.265658 -1.009801 8C 3pz 0.435535 0.024552 0.108902 0.255537 -0.117852 0.096567 8C 3px -0.035686 0.123174 0.046325 0.235233 -0.191419 0.366544 8C 3py 0.275296 0.119546 -0.082536 -0.780011 -0.365351 -1.438258 8C 1dz2 -0.002230 -0.003053 0.001651 -0.000660 -0.000549 0.000474 8C 1dxz 0.003410 -0.003673 -0.003406 0.001397 -0.003627 -0.002941 8C 1dyz -0.003249 0.000708 0.002202 -0.001925 -0.000252 0.002501 8C 1dx2y2 0.004666 -0.006674 0.005447 -0.005283 0.000521 -0.005831 8C 1dxy -0.009508 0.003368 0.000986 0.000513 0.002618 -0.004290 8C 2dz2 -0.120780 -0.015410 -0.145366 0.182499 0.088735 0.469456 8C 2dxz -0.446166 0.029086 -0.065455 0.002195 -0.042510 -0.294483 8C 2dyz -0.022854 0.164923 -0.510525 0.930613 -0.441051 0.734116 8C 2dx2y2 0.318879 -0.139287 -0.361737 0.508364 0.055105 0.047244 8C 2dxy 0.577691 -0.228426 -0.268658 0.220262 -0.261690 0.055830 8C 1f0 -0.024493 0.010972 0.019802 -0.026258 0.006997 -0.004600 8C 1f+1 -0.016573 0.005725 -0.004824 0.008486 -0.009999 0.004677 8C 1f-1 -0.006215 -0.003784 0.009300 -0.017519 0.011264 -0.021283 8C 1f+2 0.005050 -0.002975 -0.008304 0.007564 -0.003824 -0.007913 8C 1f-2 0.009152 -0.000247 0.001772 -0.006789 0.006255 -0.010521 8C 1f+3 0.005139 0.000952 -0.009336 0.021571 -0.007015 0.035729 8C 1f-3 0.008535 -0.005038 0.018519 -0.028927 0.013085 -0.018285 9C 1s -0.000652 -0.004653 0.005468 0.001756 0.002682 -0.007369 9C 2s -0.001206 -0.010864 0.011486 0.003283 0.004489 -0.017410 9C 3s 0.026873 0.020845 -0.030917 0.029842 0.063060 -0.079750 9C 4s -0.146737 0.042669 -0.042903 -0.186551 -0.386987 0.804235 9C 5s -1.527159 0.995420 0.129235 -0.532380 0.155870 2.401300 9C 1pz -0.065178 -0.100723 0.080458 0.040024 0.071084 -0.086727 9C 1px 0.003665 -0.094241 0.025039 0.002267 -0.017812 -0.085832 9C 1py 0.069920 -0.046548 0.107752 -0.025774 -0.000538 -0.026501 9C 2pz -0.188848 -0.558492 0.539767 0.240334 0.445264 -0.686488 9C 2px -0.074411 -0.366482 -0.225365 0.293791 0.158087 -0.710147 9C 2py 0.192545 -0.220207 0.446698 -0.011111 0.339444 -0.337126 9C 3pz 0.032330 -0.493942 0.112737 0.166259 0.347025 -0.742830 9C 3px 0.129199 -0.411427 -0.205895 -0.001579 0.216689 -0.617164 9C 3py 0.656715 -0.308148 0.330151 0.054979 -0.311865 -0.474880 9C 1dz2 -0.004877 -0.003572 -0.000797 0.005664 0.005514 -0.005235 9C 1dxz -0.002571 -0.002670 0.006821 0.000989 -0.002184 -0.000008 9C 1dyz -0.001856 -0.001012 0.005871 -0.000925 0.001138 0.001773 9C 1dx2y2 -0.001833 0.002529 -0.001184 0.000947 -0.001627 0.004479 9C 1dxy 0.004196 0.001466 0.007489 -0.001954 -0.003145 0.005410 9C 2dz2 0.283767 0.349099 -0.282922 -0.144306 -0.581799 0.294309 9C 2dxz -0.157890 -0.084948 -0.662484 0.315428 -0.044532 -0.531019 9C 2dyz 0.038884 0.825445 -0.539991 -0.231287 -0.337091 0.807880 9C 2dx2y2 -0.144156 -0.006516 0.328533 0.043507 0.021125 0.202037 9C 2dxy 0.326736 0.299595 -0.114828 -0.080911 -0.063829 0.193208 9C 1f0 0.009984 -0.002338 -0.004841 -0.001576 0.008456 -0.010203 9C 1f+1 -0.010789 -0.018556 -0.000282 0.010207 0.007970 -0.025636 9C 1f-1 -0.005881 -0.022131 0.024519 0.003651 0.018908 -0.019295 9C 1f+2 -0.004889 0.008018 0.011628 -0.006226 -0.001614 0.027624 9C 1f-2 0.009913 0.018161 -0.003659 -0.006130 -0.005876 0.011151 9C 1f+3 0.001851 -0.018616 0.029860 -0.001008 0.013824 -0.004791 9C 1f-3 -0.004728 -0.023397 -0.003206 0.010681 0.007304 -0.032120 10H 1s -0.008416 -0.003642 0.008384 -0.001576 -0.015710 0.023478 10H 2s 0.158753 0.267208 -0.944342 -0.234103 0.092845 -1.006614 10H 3s 0.141443 0.133356 0.228592 0.070796 0.007443 -0.015417 10H 1pz -0.000278 0.000643 -0.059117 -0.021763 -0.005113 -0.053394 10H 1px -0.008531 -0.010039 0.068809 0.011878 -0.004435 0.059908 10H 1py 0.012052 0.004243 -0.014814 -0.009731 0.007986 -0.019156 11H 1s -0.020917 0.027330 0.002178 -0.013495 -0.014615 -0.032572 11H 2s 0.622578 -0.854236 0.145330 0.445330 0.188023 0.967793 11H 3s -0.013821 0.198674 0.061692 -0.219275 0.145736 -0.214615 11H 1pz 0.021099 -0.038751 -0.001586 0.029355 0.007871 0.045772 11H 1px 0.033173 -0.040259 0.008739 0.025058 0.010201 0.046244 11H 1py -0.014880 0.034846 -0.002167 -0.010176 -0.007460 -0.040327 12H 1s 0.018788 0.013548 0.022836 0.001247 0.000049 -0.004606 12H 2s -0.366293 -0.286467 -0.369033 -0.077630 0.252182 0.218714 12H 3s -0.070229 0.067883 -0.029333 -0.078097 -0.278477 -0.132941 12H 1pz 0.017833 0.011132 0.014802 0.008823 0.010082 -0.009849 12H 1px -0.004192 -0.000679 -0.001489 0.007145 0.013205 0.003683 12H 1py -0.005751 -0.024322 -0.020968 0.005620 0.035371 0.020162 13H 1s 0.013383 -0.000220 0.003233 -0.011218 -0.015875 -0.000534 13H 2s -0.991925 -0.284716 -0.028553 -0.178219 0.268747 0.189819 13H 3s 0.183883 0.099291 0.056051 -0.012316 -0.016711 0.235041 13H 1pz -0.053419 -0.023405 0.003148 -0.007801 0.014614 -0.001825 13H 1px 0.059751 0.015270 -0.002677 0.001697 -0.005814 -0.009101 13H 1py 0.044460 0.018409 -0.000800 0.013783 0.009505 -0.015208 14H 1s 0.016957 0.013350 -0.013278 -0.019399 0.016528 -0.015076 14H 2s -0.214925 -0.236394 0.557299 0.460188 -0.348349 0.475972 14H 3s -0.178844 0.068391 -0.164774 -0.267803 -0.208788 0.213646 14H 1pz -0.001919 -0.010709 0.030635 0.026552 -0.013701 0.005500 14H 1px -0.002323 -0.005961 0.037993 0.044399 -0.006978 0.021778 14H 1py -0.011294 -0.009385 0.002310 -0.005251 -0.016859 -0.000698 15H 1s -0.008813 -0.002556 -0.015933 -0.026198 0.009075 0.043320 15H 2s 0.347141 0.350931 0.367871 0.632217 -0.438498 -0.928884 15H 3s 0.053017 -0.184728 -0.064978 -0.187574 0.168684 0.146304 15H 1pz -0.020226 -0.012933 -0.016633 -0.036126 0.015127 0.054974 15H 1px 0.005175 0.002228 0.006420 0.010766 -0.009081 -0.013156 15H 1py -0.005121 -0.021843 -0.025983 -0.043196 0.032111 0.039898 16H 1s 0.001209 0.003093 -0.012214 -0.007207 0.002470 0.001756 16H 2s 0.033785 0.041542 -0.003294 -0.057727 0.325084 -0.045840 16H 3s 0.071020 -0.201135 -0.025289 0.114733 -0.197036 -0.041505 16H 1pz -0.000318 -0.008427 0.008614 0.017045 -0.008824 -0.004011 16H 1px -0.035087 0.058491 -0.041237 0.023048 0.003943 -0.008009 16H 1py -0.006183 0.028629 0.000585 -0.020249 0.047115 -0.012098 17H 1s -0.003999 -0.005996 0.007377 0.003063 0.004350 -0.000624 17H 2s -0.116966 0.265757 -0.067040 -0.141750 0.311364 -0.051821 17H 3s 0.065676 -0.163032 0.086114 0.031551 -0.241355 0.064290 17H 1pz -0.008410 -0.001503 -0.000454 -0.038617 0.014822 -0.010710 17H 1px 0.016658 -0.037687 0.013261 0.033116 0.010459 -0.002028 17H 1py 0.009970 -0.002836 -0.007924 -0.016070 0.041749 -0.016587 18H 1s -0.003434 0.006838 0.007256 -0.003929 -0.004537 -0.000367 18H 2s -0.114161 -0.265230 -0.070401 0.150277 -0.306783 -0.038862 18H 3s 0.070820 0.168544 0.094863 -0.041845 0.237919 0.066868 18H 1pz 0.008473 -0.001144 -0.002515 -0.038642 0.014330 0.007641 18H 1px -0.016014 -0.039732 -0.011553 0.034801 0.010923 0.002285 18H 1py -0.009075 -0.003748 0.006999 -0.018090 0.042639 0.013803 19H 1s 0.001953 -0.002355 -0.011911 0.007532 -0.002413 0.002127 19H 2s 0.029267 -0.038726 -0.009950 0.061893 -0.325915 -0.037778 19H 3s 0.078523 0.206419 -0.019838 -0.115183 0.193138 -0.040145 19H 1pz 0.000962 -0.008249 -0.007529 0.017264 -0.009289 0.005750 19H 1px 0.033071 0.058157 0.043660 0.020539 0.001944 0.007907 19H 1py 0.006693 0.029405 -0.000369 -0.019467 0.045939 0.008711 20H 1s -0.008076 0.002589 -0.013895 0.027198 -0.007130 0.043491 20H 2s 0.341286 -0.348149 0.328288 -0.663561 0.398502 -0.921692 20H 3s 0.052921 0.181696 -0.054589 0.189738 -0.163676 0.137391 20H 1pz 0.019658 -0.012594 0.014237 -0.037614 0.013049 -0.055104 20H 1px -0.005216 0.002622 -0.006086 0.011786 -0.008544 0.014122 20H 1py 0.004625 -0.021903 0.023496 -0.044875 0.030144 -0.038845 21H 1s 0.016938 -0.013138 -0.012955 0.019740 -0.016880 -0.014113 21H 2s -0.218830 0.227966 0.551916 -0.492966 0.353672 0.469630 21H 3s -0.159329 -0.071185 -0.138965 0.283563 0.222334 0.216619 21H 1pz 0.002647 -0.010119 -0.029664 0.028664 -0.012820 -0.005170 21H 1px 0.003261 -0.005417 -0.035759 0.046648 -0.006665 -0.021202 21H 1py 0.010618 -0.009354 -0.003559 -0.005228 -0.017230 0.001041 22H 1s 0.013881 0.000483 0.004716 0.010518 0.015473 0.000888 22H 2s -0.995586 0.258638 -0.029000 0.217724 -0.241717 0.157547 22H 3s 0.184286 -0.097723 0.061463 0.000634 0.016844 0.240000 22H 1pz 0.053491 -0.021806 -0.002714 -0.009821 0.013629 0.003670 22H 1px -0.059987 0.014064 0.002463 0.003718 -0.004602 0.007199 22H 1py -0.044121 0.017442 0.001989 0.015369 0.010573 0.013682 23H 1s 0.018937 -0.014344 0.022062 -0.002832 -0.001195 -0.006787 23H 2s -0.359868 0.320725 -0.356409 0.096901 -0.233299 0.265272 23H 3s -0.059169 -0.064208 -0.017346 0.078256 0.280138 -0.123185 23H 1pz -0.017394 0.011618 -0.013460 0.009870 0.010862 0.010951 23H 1px 0.004617 -0.001730 0.001805 0.006982 0.012369 -0.005676 23H 1py 0.006165 -0.026600 0.021054 0.005285 0.034894 -0.022548 24H 1s -0.019479 -0.027071 0.002939 0.014122 0.014568 -0.031555 24H 2s 0.588987 0.855297 0.123154 -0.477013 -0.191915 0.958726 24H 3s 0.004803 -0.197856 0.068335 0.217293 -0.155150 -0.223264 24H 1pz -0.018425 -0.039127 0.003072 0.030330 0.007281 -0.045921 24H 1px -0.031463 -0.040828 -0.007695 0.027284 0.010868 -0.046606 24H 1py 0.013447 0.033897 0.001696 -0.010146 -0.006878 0.039517 25H 1s -0.007275 0.003537 0.008545 0.000756 0.016003 0.022253 25H 2s 0.151044 -0.250817 -0.935185 0.304149 -0.085622 -1.001415 25H 3s 0.144585 -0.118455 0.216827 -0.094706 -0.016226 -0.011490 25H 1pz -0.000024 0.000219 0.057845 -0.026062 -0.005824 0.053558 25H 1px 0.007919 -0.009127 -0.068006 0.016919 -0.003672 -0.059720 25H 1py -0.011790 0.003870 0.013937 -0.010687 0.008060 0.019324 26O 1s -0.002194 0.006450 0.012798 0.007105 -0.000391 0.000912 26O 2s -0.004753 0.014336 0.027005 0.015963 -0.000893 0.002509 26O 3s -0.003295 0.005033 0.040440 0.001024 -0.009665 -0.010604 26O 4s 0.122939 -0.330877 -0.701052 -0.348748 -0.034939 -0.034676 26O 5s -0.480019 1.438911 1.372221 1.005681 1.374244 -0.020474 26O 1pz 0.000290 0.022705 0.039267 0.022353 0.030062 0.028070 26O 1px 0.020265 -0.046682 0.021701 0.023929 0.020479 0.046319 26O 1py 0.053331 0.006496 0.055434 0.023169 0.059242 0.035657 26O 2pz -0.025833 0.112842 0.043230 0.033183 0.041904 -0.003010 26O 2px 0.050478 -0.116147 0.076581 -0.022931 -0.070121 0.036356 26O 2py 0.136299 0.018824 0.116986 0.049987 0.060296 0.026306 26O 3pz 0.024606 -0.284356 -0.273734 0.000890 -0.319201 0.027065 26O 3px -0.123970 -0.195467 -0.592023 -0.050786 -1.161759 -0.199196 26O 3py -0.533307 -0.098464 -0.472897 -0.163750 -0.535877 -0.043807 26O 1dz2 -0.000517 0.003273 0.003583 -0.000888 0.002946 -0.001482 26O 1dxz -0.001370 0.001376 0.000817 -0.002161 -0.004223 -0.001716 26O 1dyz 0.001682 0.000872 0.002669 -0.000666 -0.003363 -0.003134 26O 1dx2y2 -0.001779 -0.002391 -0.006320 -0.002432 -0.005465 -0.000586 26O 1dxy 0.001734 -0.001110 -0.000497 -0.000899 -0.002551 -0.000853 26O 2dz2 0.004135 -0.006133 -0.027396 -0.008575 -0.022672 -0.043261 26O 2dxz 0.001819 0.012360 0.012862 -0.008186 0.024315 0.021599 26O 2dyz -0.012366 0.035319 -0.055193 0.014908 -0.027710 -0.050146 26O 2dx2y2 0.005281 0.028525 -0.019490 -0.000561 0.036252 -0.016245 26O 2dxy 0.003837 0.037762 -0.019328 0.023813 0.047847 -0.001208 26O 1f0 0.000722 -0.000066 0.000183 0.000582 0.001245 0.000275 26O 1f+1 -0.000578 0.002557 -0.001655 0.001797 0.003046 0.002850 26O 1f-1 -0.001129 0.002746 -0.001983 0.001474 0.001639 0.000587 26O 1f+2 0.000220 -0.001058 -0.000344 -0.001833 -0.001371 -0.001606 26O 1f-2 -0.000283 0.001635 -0.000460 0.000753 0.000873 0.000274 26O 1f+3 0.001493 0.001557 -0.001113 0.001725 0.003498 0.000048 26O 1f-3 -0.000186 0.002221 -0.002164 0.001273 0.003044 0.002648 27O 1s 0.007154 0.012595 -0.004005 -0.001112 0.005283 0.003676 27O 2s 0.015537 0.028081 -0.008491 -0.002386 0.011407 0.006962 27O 3s 0.015166 0.005534 -0.013008 -0.008300 0.009071 0.029639 27O 4s -0.337780 -0.643059 0.232307 0.046317 -0.350518 -0.217744 27O 5s 0.300140 2.297921 -0.764008 0.280666 2.148212 0.055404 27O 1pz 0.047993 0.013573 -0.003516 0.013170 0.035108 -0.032840 27O 1px 0.056943 -0.000838 0.043735 0.075497 -0.016776 -0.002037 27O 1py -0.033217 -0.012600 -0.007050 -0.025854 -0.013741 -0.005476 27O 2pz 0.077178 0.050918 -0.031534 0.015361 0.113759 -0.108079 27O 2px 0.144536 -0.075704 0.051025 0.058677 -0.088993 0.067149 27O 2py -0.028553 -0.000674 0.026851 -0.014111 -0.064838 -0.034368 27O 3pz -0.063369 0.112599 0.273871 -0.087130 -0.086917 0.272581 27O 3px -0.534525 -0.652664 0.177758 -0.637348 -0.866346 0.061504 27O 3py 0.375168 -0.095966 -0.044415 0.330452 0.533466 0.118481 27O 1dz2 0.000173 0.005187 -0.002773 0.001919 0.003456 -0.002103 27O 1dxz 0.005886 0.003254 -0.000297 -0.000433 0.003389 -0.001195 27O 1dyz -0.002109 0.000846 -0.000436 0.000408 -0.000775 -0.004176 27O 1dx2y2 -0.002734 -0.003458 0.002955 0.000179 -0.004940 -0.002514 27O 1dxy 0.001457 0.003319 0.002329 0.005254 0.005132 -0.004074 27O 2dz2 0.021335 -0.022480 -0.008037 -0.013083 -0.034485 -0.000618 27O 2dxz 0.012952 0.023945 0.002848 -0.006370 0.005903 -0.011633 27O 2dyz 0.071858 -0.000675 0.009762 0.021196 -0.004530 -0.012212 27O 2dx2y2 0.011825 0.022036 0.013066 0.014374 0.016103 -0.019204 27O 2dxy 0.012488 -0.021770 0.006982 0.016632 -0.020252 0.017920 27O 1f0 0.000699 -0.002812 -0.000172 0.000109 -0.001852 0.001632 27O 1f+1 -0.000660 0.000912 0.002037 0.000565 0.000669 -0.001966 27O 1f-1 -0.000276 -0.000459 -0.000656 0.000090 -0.000145 0.000095 27O 1f+2 0.001192 -0.000549 0.000999 0.000603 -0.000119 -0.000612 27O 1f-2 -0.000736 -0.002736 -0.000320 -0.000170 -0.002244 0.002780 27O 1f+3 -0.002765 0.002752 0.000640 0.000513 0.001088 -0.003660 27O 1f-3 -0.000891 -0.001413 -0.002247 -0.002139 -0.000869 0.000483 28O 1s -0.002681 0.013326 0.002377 -0.000836 -0.008801 -0.003745 28O 2s -0.006018 0.028466 0.005851 -0.000452 -0.019169 -0.006933 28O 3s -0.000182 0.036511 -0.001112 -0.027125 -0.014288 -0.031651 28O 4s 0.137420 -0.716898 -0.087639 0.149809 0.513582 0.202406 28O 5s -0.638806 1.074778 -0.245003 -0.479303 -2.221324 0.053293 28O 1pz -0.002047 -0.046121 -0.056142 -0.047884 -0.010326 -0.024467 28O 1px -0.013178 0.031936 0.031340 0.009783 -0.021707 0.035833 28O 1py -0.009466 -0.017155 -0.027262 -0.019265 -0.016641 -0.009383 28O 2pz -0.012470 -0.070445 -0.083652 -0.083143 0.004617 -0.100429 28O 2px -0.029738 0.021540 0.021533 -0.011700 -0.097834 0.155672 28O 2py -0.046388 -0.042396 -0.057431 -0.039096 -0.027342 -0.013077 28O 3pz 0.472412 0.897339 1.059514 0.377114 0.482299 0.650047 28O 3px -0.426794 -0.294017 -0.405025 0.092408 -0.545339 -0.249692 28O 3py 0.357194 0.480140 0.412342 0.114072 -0.125010 0.269858 28O 1dz2 0.001804 0.002731 0.004147 0.001273 0.004733 -0.001743 28O 1dxz -0.002401 -0.001789 -0.004796 -0.001988 -0.005973 -0.003053 28O 1dyz 0.000476 -0.001297 0.000104 0.000677 0.000645 -0.005969 28O 1dx2y2 0.005518 -0.000733 0.000051 -0.000666 0.004359 0.000793 28O 1dxy 0.000392 -0.001572 -0.002139 -0.001363 0.001369 -0.002596 28O 2dz2 0.016130 0.018072 0.034093 0.012513 0.002322 0.013043 28O 2dxz 0.024455 0.012812 0.036024 -0.008178 0.031680 -0.019332 28O 2dyz 0.007629 0.010736 0.042638 0.016480 -0.021294 0.042193 28O 2dx2y2 0.019602 -0.027051 -0.003792 0.012765 0.015677 0.002807 28O 2dxy 0.012235 0.001138 0.018445 -0.007886 0.031112 0.004300 28O 1f0 -0.000879 -0.000401 -0.000999 0.001232 -0.000346 0.003286 28O 1f+1 0.001064 -0.000047 -0.002701 -0.000264 -0.001120 -0.001955 28O 1f-1 -0.001135 0.003396 -0.000694 -0.000777 -0.003509 0.001869 28O 1f+2 0.000428 -0.001112 0.002650 -0.000795 0.001611 -0.003728 28O 1f-2 -0.000158 0.000994 -0.000881 -0.001077 -0.000775 -0.001021 28O 1f+3 -0.001116 0.000721 -0.000166 -0.002095 -0.002443 -0.002867 28O 1f-3 0.000081 0.000927 -0.000872 -0.001404 -0.000621 -0.000102 29O 1s -0.000527 -0.002211 0.000503 0.009667 -0.004027 0.000976 29O 2s -0.002337 -0.002528 0.000190 0.022416 -0.004043 0.001570 29O 3s 0.019290 -0.042381 0.015966 -0.009159 -0.091064 0.010237 29O 4s -0.069486 0.337865 -0.096527 -0.372158 0.684385 -0.100482 29O 5s 0.164898 -0.894490 0.202717 0.812297 -1.762713 0.253614 29O 1pz 0.010882 -0.010135 0.008638 -0.013536 -0.005630 0.008750 29O 1px 0.000735 0.008061 0.001331 0.058623 0.029197 -0.002866 29O 1py -0.004319 0.006970 0.000049 -0.011440 0.026394 0.000228 29O 2pz -0.023724 0.033184 0.021396 -0.029178 0.040602 -0.003495 29O 2px 0.019585 -0.063096 0.036096 0.104009 -0.094962 0.022053 29O 2py -0.003858 0.042165 -0.014960 0.010536 0.036149 -0.010676 29O 3pz 0.271797 -0.382967 0.059874 0.200400 -0.151526 0.040235 29O 3px -0.007791 0.253163 -0.075748 -0.355598 0.541948 -0.071100 29O 3py -0.091778 0.032400 0.054330 -0.179262 0.198057 0.029927 29O 1dz2 -0.000414 0.000510 -0.001291 -0.002627 0.001933 -0.001166 29O 1dxz 0.000845 -0.001221 0.001528 -0.002263 0.000253 0.000706 29O 1dyz 0.002259 -0.002199 -0.000043 0.001174 -0.000506 0.000155 29O 1dx2y2 0.001308 0.001234 0.000361 0.001219 0.003369 -0.000236 29O 1dxy -0.000169 -0.001248 0.000839 -0.000720 0.000028 0.000925 29O 2dz2 -0.014605 0.027698 -0.004760 -0.047476 0.002358 0.002633 29O 2dxz 0.050674 -0.094804 0.034886 -0.001758 -0.026654 0.001907 29O 2dyz 0.008541 -0.014698 -0.015078 0.026777 -0.022871 -0.005124 29O 2dx2y2 -0.015476 0.019482 -0.018176 0.029838 0.090313 -0.025388 29O 2dxy 0.012942 -0.015821 0.011205 -0.052891 0.030937 -0.011542 29O 1f0 -0.000151 0.001084 0.000102 -0.000016 0.001238 -0.000872 29O 1f+1 0.000386 -0.002154 0.000398 0.000992 -0.000482 -0.000075 29O 1f-1 -0.000176 0.000091 0.001226 -0.000164 0.001077 -0.000716 29O 1f+2 -0.000998 0.001151 -0.000266 -0.000467 -0.000512 0.000781 29O 1f-2 0.000870 0.001293 -0.001115 -0.000951 0.000843 0.000203 29O 1f+3 -0.000626 -0.000928 0.000063 0.001560 -0.000102 -0.000093 29O 1f-3 0.000219 -0.000033 -0.000120 0.000659 0.000697 -0.001290 30O 1s 0.002500 -0.001028 -0.005261 -0.011370 0.006379 0.004063 30O 2s 0.006120 -0.001023 -0.011153 -0.024244 0.013579 0.007822 30O 3s -0.002642 -0.018150 -0.016094 -0.032285 0.024033 0.030224 30O 4s -0.123453 0.170248 0.269865 0.624948 -0.335563 -0.246598 30O 5s 0.093410 -1.400101 -0.496299 -1.216198 -0.235540 0.241936 30O 1pz -0.041872 -0.019374 0.006544 -0.019152 -0.032446 0.002411 30O 1px 0.036874 -0.003875 -0.004676 -0.023843 -0.008340 -0.008440 30O 1py 0.063643 0.034686 0.006298 0.013156 0.061091 0.006229 30O 2pz -0.076483 0.001680 0.006275 -0.017644 -0.039475 0.046326 30O 2px 0.059002 -0.064200 0.011490 -0.059008 -0.093952 -0.076582 30O 2py 0.123520 0.029858 0.027243 0.034990 0.073654 -0.014486 30O 3pz 0.540871 0.516607 -0.104719 -0.365376 0.584431 -0.120273 30O 3px -0.358963 -0.553605 -0.115857 0.184622 -0.315029 0.055525 30O 3py -1.276835 -0.703896 -0.260360 0.309145 -0.876962 0.056018 30O 1dz2 -0.001061 0.000391 -0.001605 -0.000666 -0.002764 0.000066 30O 1dxz -0.001448 -0.003521 -0.000912 0.000097 -0.001973 0.001787 30O 1dyz -0.000106 -0.004944 0.000242 -0.001180 -0.000376 -0.005641 30O 1dx2y2 -0.002554 0.000283 0.002135 0.000518 -0.002163 -0.000926 30O 1dxy 0.006791 0.003679 0.001992 0.000204 0.004442 -0.002555 30O 2dz2 -0.042955 -0.014730 -0.027917 -0.006327 -0.030324 -0.001061 30O 2dxz 0.004936 -0.001441 -0.008089 -0.003578 0.028627 0.026863 30O 2dyz -0.027640 -0.016577 -0.012469 0.012511 0.037653 -0.005308 30O 2dx2y2 -0.039853 -0.009605 0.000651 0.015593 -0.036243 0.018179 30O 2dxy -0.038060 -0.034310 -0.002833 0.000009 -0.035387 -0.015074 30O 1f0 -0.000155 0.001115 0.001524 0.003404 -0.001599 -0.001055 30O 1f+1 -0.000863 -0.001191 -0.001055 -0.001244 0.000171 -0.000857 30O 1f-1 -0.000131 0.000120 0.000458 0.000723 0.000728 0.000615 30O 1f+2 -0.001480 0.000648 -0.001183 0.001802 0.000782 0.003844 30O 1f-2 0.002545 0.001395 -0.000755 0.001961 0.002196 0.001550 30O 1f+3 -0.001615 -0.001025 -0.000526 -0.003755 0.000837 -0.000508 30O 1f-3 0.001072 -0.000242 -0.001407 0.000698 0.002837 0.003080 31O 1s 0.002916 0.001117 -0.004471 0.011694 -0.006411 0.004049 31O 2s 0.007052 0.001261 -0.009448 0.024918 -0.013695 0.007873 31O 3s -0.002503 0.017504 -0.014565 0.033311 -0.023190 0.029111 31O 4s -0.144140 -0.172292 0.226759 -0.640385 0.336180 -0.235161 31O 5s 0.170120 1.404019 -0.355856 1.248122 0.227849 0.125784 31O 1pz 0.040593 -0.018772 -0.008100 -0.019457 -0.033172 -0.000869 31O 1px -0.037409 -0.004480 0.002493 -0.023316 -0.007413 0.008372 31O 1py -0.062364 0.033867 -0.003332 0.014896 0.063327 -0.007794 31O 2pz 0.075427 0.002597 -0.007241 -0.018851 -0.042544 -0.045044 31O 2px -0.062946 -0.066221 -0.020504 -0.055865 -0.091100 0.080896 31O 2py -0.121269 0.028347 -0.022453 0.039380 0.080568 0.013121 31O 3pz -0.534561 0.519561 0.105955 -0.356776 0.601838 0.061931 31O 3px 0.340202 -0.550936 0.104435 0.162708 -0.317827 -0.017229 31O 3py 1.255300 -0.690760 0.238932 0.256506 -0.928069 -0.001026 31O 1dz2 -0.000825 -0.000363 -0.001397 0.000816 0.002797 0.000155 31O 1dxz -0.001356 0.003602 -0.000736 0.000000 0.002099 0.001516 31O 1dyz -0.000023 0.004995 0.000365 0.001177 0.000271 -0.006040 31O 1dx2y2 -0.002546 -0.000351 0.002136 -0.000599 0.002192 -0.000996 31O 1dxy 0.006562 -0.003565 0.001749 -0.000533 -0.004683 -0.002299 31O 2dz2 -0.042357 0.014834 -0.026037 0.009272 0.032342 -0.001180 31O 2dxz 0.003493 0.001738 -0.008634 0.003341 -0.027377 0.027750 31O 2dyz -0.029299 0.016061 -0.015138 -0.010531 -0.036942 -0.005914 31O 2dx2y2 -0.039817 0.008901 0.001111 -0.014498 0.037394 0.017697 31O 2dxy -0.037629 0.034383 -0.001123 0.001394 0.035462 -0.016443 31O 1f0 0.000223 0.001105 -0.001340 0.003521 -0.001494 0.001090 31O 1f+1 0.000892 -0.001225 0.000954 -0.001315 0.000110 0.000860 31O 1f-1 0.000166 0.000122 -0.000370 0.000745 0.000723 -0.000603 31O 1f+2 0.001568 0.000716 0.001364 0.001673 0.000648 -0.003885 31O 1f-2 -0.002426 0.001381 0.001016 0.001972 0.002181 -0.001583 31O 1f+3 0.001505 -0.000963 0.000341 -0.003864 0.000813 0.000587 31O 1f-3 -0.000941 -0.000211 0.001565 0.000604 0.002754 -0.003141 32O 1s -0.000680 0.002166 0.000135 -0.009739 0.004057 0.001046 32O 2s -0.002784 0.002450 -0.000854 -0.022466 0.004183 0.001909 32O 3s 0.021005 0.041794 0.019682 0.007358 0.089829 0.006919 32O 4s -0.072615 -0.333636 -0.101159 0.384739 -0.679565 -0.085130 32O 5s 0.179092 0.888089 0.223089 -0.844360 1.750952 0.212425 32O 1pz -0.011055 -0.010846 -0.009669 -0.012067 -0.005616 -0.008297 32O 1px 0.001955 0.008184 0.002680 0.058350 0.028695 0.000052 32O 1py 0.005110 0.007192 0.000021 -0.011835 0.026263 -0.001828 32O 2pz 0.023949 0.032354 -0.021812 -0.028164 0.038905 0.002715 32O 2px -0.018869 -0.064213 -0.034317 0.108275 -0.094012 -0.022456 32O 2py 0.006083 0.043968 0.017092 0.008575 0.035486 0.011036 32O 3pz -0.269357 -0.388453 -0.057223 0.210387 -0.143602 -0.033743 32O 3px 0.018266 0.260474 0.079361 -0.368084 0.536907 0.072579 32O 3py 0.083115 0.021584 -0.060737 -0.177072 0.198249 -0.042751 32O 1dz2 -0.000433 -0.000583 -0.001197 0.002818 -0.001927 -0.001073 32O 1dxz 0.000831 0.001229 0.001671 0.002140 -0.000328 0.000738 32O 1dyz 0.002217 0.002229 -0.000081 -0.001075 0.000256 0.000053 32O 1dx2y2 0.001167 -0.001299 0.000159 -0.001238 -0.003403 -0.000092 32O 1dxy -0.000227 0.001200 0.000922 0.000737 -0.000096 0.000946 32O 2dz2 -0.012795 -0.027560 -0.000481 0.047707 -0.002437 0.005473 32O 2dxz 0.049744 0.096194 0.037387 -0.002901 0.024242 0.000975 32O 2dyz 0.008672 0.014660 -0.016943 -0.024809 0.020936 -0.008744 32O 2dx2y2 -0.018697 -0.020014 -0.021995 -0.027403 -0.089052 -0.021542 32O 2dxy 0.012201 0.016505 0.015288 0.052903 -0.032521 -0.007269 32O 1f0 0.000192 0.001119 -0.000016 -0.000046 0.001135 0.000817 32O 1f+1 -0.000344 -0.002270 -0.000400 0.001059 -0.000509 0.000090 32O 1f-1 0.000289 0.000278 -0.001198 -0.000190 0.001146 0.000704 32O 1f+2 0.000931 0.001116 0.000279 -0.000420 -0.000572 -0.000798 32O 1f-2 -0.000830 0.001335 0.001088 -0.001076 0.000781 -0.000286 32O 1f+3 0.000625 -0.000949 0.000025 0.001536 -0.000110 0.000087 32O 1f-3 -0.000197 -0.000084 0.000144 0.000675 0.000743 0.001227 33O 1s -0.002164 -0.013260 0.002498 0.000681 0.008678 -0.003700 33O 2s -0.004912 -0.028361 0.006058 0.000095 0.018909 -0.006804 33O 3s 0.000986 -0.035802 -0.000008 0.026619 0.013738 -0.032365 33O 4s 0.108615 0.709766 -0.100831 -0.141086 -0.507940 0.200929 33O 5s -0.530976 -1.041779 -0.153664 0.494818 2.230953 0.081991 33O 1pz 0.001061 -0.045359 0.052750 -0.052270 -0.010691 0.026128 33O 1px 0.011815 0.031952 -0.030401 0.011779 -0.022125 -0.035176 33O 1py 0.008298 -0.016113 0.025206 -0.021728 -0.016671 0.010493 33O 2pz 0.010464 -0.067529 0.078433 -0.091099 0.004570 0.101408 33O 2px 0.023774 0.020423 -0.025016 -0.011047 -0.100052 -0.156611 33O 2py 0.042395 -0.039656 0.053641 -0.045344 -0.028218 0.016132 33O 3pz -0.442954 0.882347 -0.992233 0.470457 0.502453 -0.609786 33O 3px 0.413696 -0.291540 0.378676 0.056622 -0.557156 0.236005 33O 3py -0.350628 0.469918 -0.405527 0.163946 -0.117140 -0.287124 33O 1dz2 0.001745 -0.002761 0.003868 -0.001574 -0.004934 -0.001791 33O 1dxz -0.002128 0.001757 -0.004366 0.002370 0.006068 -0.002921 33O 1dyz 0.000521 0.001320 0.000085 -0.000752 -0.000769 -0.005841 33O 1dx2y2 0.005336 0.000829 -0.000033 0.000520 -0.004481 0.000723 33O 1dxy 0.000353 0.001719 -0.002143 0.001552 -0.001392 -0.002739 33O 2dz2 0.016677 -0.018502 0.032914 -0.014546 -0.003852 0.011630 33O 2dxz 0.023436 -0.012802 0.034849 0.005339 -0.033476 -0.019808 33O 2dyz 0.008246 -0.009654 0.042297 -0.020175 0.021109 0.043139 33O 2dx2y2 0.019394 0.028092 -0.004193 -0.013163 -0.016523 0.003398 33O 2dxy 0.011919 0.000089 0.017840 0.006103 -0.031892 0.004970 33O 1f0 0.000891 -0.000407 0.001020 0.001128 -0.000426 -0.003383 33O 1f+1 -0.001124 -0.000057 0.002614 -0.000455 -0.001099 0.002060 33O 1f-1 0.000952 0.003467 0.000602 -0.000897 -0.003592 -0.001713 33O 1f+2 -0.000335 -0.001076 -0.002633 -0.000589 0.001719 0.003845 33O 1f-2 0.000119 0.000959 0.000836 -0.001152 -0.000794 0.001079 33O 1f+3 0.001062 0.000759 0.000030 -0.002149 -0.002478 0.002994 33O 1f-3 -0.000122 0.000959 0.000823 -0.001517 -0.000644 0.000185 34O 1s 0.007302 -0.012254 -0.004072 0.001049 -0.005392 0.004031 34O 2s 0.015854 -0.027353 -0.008626 0.002255 -0.011639 0.007734 34O 3s 0.015784 -0.004731 -0.012819 0.008204 -0.009316 0.030407 34O 4s -0.345732 0.623700 0.239950 -0.044071 0.357864 -0.237012 34O 5s 0.287272 -2.248673 -0.862262 -0.258064 -2.158441 0.082786 34O 1pz -0.046074 0.012862 0.005831 0.014577 0.036694 0.031824 34O 1px -0.054530 -0.000767 -0.039333 0.080582 -0.015053 0.002545 34O 1py 0.032156 -0.011774 0.004775 -0.028189 -0.013534 0.007440 34O 2pz -0.073366 0.050025 0.038066 0.015857 0.116034 0.108163 34O 2px -0.143698 -0.073673 -0.050110 0.066416 -0.087147 -0.065070 34O 2py 0.026571 0.000462 -0.029468 -0.014741 -0.060751 0.037737 34O 3pz 0.058108 0.105378 -0.288756 -0.072118 -0.079798 -0.285721 34O 3px 0.499825 -0.649961 -0.261070 -0.646234 -0.869274 -0.097209 34O 3py -0.350672 -0.102366 0.088204 0.342652 0.520588 -0.105332 34O 1dz2 0.000124 -0.005127 -0.003074 -0.001783 -0.003406 -0.002143 34O 1dxz 0.005797 -0.003134 -0.000464 0.000287 -0.003572 -0.001264 34O 1dyz -0.002096 -0.000803 -0.000414 -0.000314 0.000751 -0.004122 34O 1dx2y2 -0.002644 0.003389 0.003145 -0.000257 0.004877 -0.002502 34O 1dxy 0.001240 -0.003241 0.001751 -0.005434 -0.005287 -0.004093 34O 2dz2 0.022308 0.023064 -0.006279 0.012867 0.034766 -0.001502 34O 2dxz 0.013227 -0.023479 0.002714 0.005615 -0.006287 -0.011435 34O 2dyz 0.070835 0.001969 0.008191 -0.024535 0.002318 -0.012070 34O 2dx2y2 0.010628 -0.021500 0.011263 -0.015690 -0.016682 -0.019692 34O 2dxy 0.012431 0.021791 0.006125 -0.017504 0.019811 0.016448 34O 1f0 -0.000728 -0.002830 0.000088 0.000132 -0.001884 -0.001622 34O 1f+1 0.000696 0.000907 -0.001975 0.000698 0.000761 0.001991 34O 1f-1 0.000268 -0.000453 0.000652 0.000042 -0.000151 -0.000101 34O 1f+2 -0.001182 -0.000582 -0.000926 0.000706 -0.000007 0.000754 34O 1f-2 0.000695 -0.002683 0.000225 -0.000230 -0.002288 -0.002688 34O 1f+3 0.002806 0.002704 -0.000629 0.000517 0.001064 0.003532 34O 1f-3 0.000795 -0.001424 0.002082 -0.002308 -0.000942 -0.000475 35O 1s -0.002081 -0.006590 0.012450 -0.008091 0.000113 0.001172 35O 2s -0.004516 -0.014624 0.026200 -0.018049 0.000347 0.003091 35O 3s -0.002627 -0.005599 0.041036 -0.004074 0.007968 -0.010913 35O 4s 0.117617 0.340555 -0.685562 0.402207 0.053297 -0.051937 35O 5s -0.502422 -1.476560 1.298407 -1.096219 -1.406817 0.089468 35O 1pz 0.001771 0.023337 -0.036679 0.024237 0.030200 -0.030009 35O 1px -0.017481 -0.048734 -0.020317 0.026011 0.021084 -0.048817 35O 1py -0.051260 0.006399 -0.051622 0.027597 0.061628 -0.035649 35O 2pz 0.029150 0.115622 -0.038402 0.031933 0.041041 -0.001679 35O 2px -0.049606 -0.121516 -0.080072 -0.015457 -0.067330 -0.036026 35O 2py -0.132797 0.020007 -0.110686 0.058697 0.066341 -0.021798 35O 3pz -0.048904 -0.291003 0.260005 0.005001 -0.320555 -0.011081 35O 3px 0.086963 -0.183014 0.562263 -0.087441 -1.175865 0.267716 35O 3py 0.503824 -0.105482 0.452689 -0.195646 -0.557557 0.061384 35O 1dz2 -0.000546 -0.003270 0.003557 0.000662 -0.003062 -0.001298 35O 1dxz -0.001157 -0.001421 0.001055 0.002082 0.004233 -0.001738 35O 1dyz 0.001697 -0.000779 0.002712 0.000405 0.003204 -0.003323 35O 1dx2y2 -0.001577 0.002471 -0.005931 0.002812 0.005675 -0.000552 35O 1dxy 0.001832 0.001181 -0.000508 0.000887 0.002470 -0.001341 35O 2dz2 0.005661 0.005593 -0.026400 0.010267 0.021935 -0.045906 35O 2dxz 0.002714 -0.012594 0.012497 0.007287 -0.024388 0.022797 35O 2dyz -0.012193 -0.035192 -0.055543 -0.010529 0.028833 -0.049561 35O 2dx2y2 0.005023 -0.027962 -0.020621 0.001303 -0.035928 -0.014199 35O 2dxy 0.002937 -0.037673 -0.022873 -0.022363 -0.047303 -0.000030 35O 1f0 -0.000740 -0.000108 -0.000096 0.000637 0.001266 -0.000204 35O 1f+1 0.000638 0.002549 0.001873 0.001637 0.002939 -0.003093 35O 1f-1 0.001098 0.002755 0.002142 0.001298 0.001513 -0.000760 35O 1f+2 -0.000224 -0.001098 0.000188 -0.001827 -0.001344 0.001630 35O 1f-2 0.000261 0.001731 0.000526 0.000663 0.000844 -0.000332 35O 1f+3 -0.001421 0.001560 0.001333 0.001647 0.003526 -0.000048 35O 1f-3 0.000235 0.002169 0.002294 0.001153 0.002954 -0.002945 270 271 272 273 274 275 1.00582 1.01322 1.02396 1.02832 1.03499 1.03997 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s 0.000862 -0.001070 0.001823 -0.001302 0.003492 -0.001122 0Rh 2s -0.003869 0.003809 -0.005593 0.005874 -0.008279 0.004072 0Rh 3s 0.002653 -0.003910 0.007206 -0.003993 0.015301 -0.004048 0Rh 4s 0.018052 -0.017421 0.025091 -0.027436 0.035378 -0.018649 0Rh 5s -0.020015 0.011562 -0.006554 0.030546 0.027348 0.012557 0Rh 6s -0.023157 0.054932 -0.125320 0.034899 -0.349719 0.060874 0Rh 7s -0.029443 0.030475 0.639886 -0.111175 1.759378 -0.226764 0Rh 8s 0.019045 0.097619 0.030455 0.696800 0.003580 0.316294 0Rh 1pz -0.006157 -0.006618 0.008452 -0.001689 -0.002915 0.003323 0Rh 1px 0.006512 -0.005345 0.002944 -0.008852 -0.001754 -0.001630 0Rh 1py -0.002509 0.002202 -0.008233 -0.012707 0.003975 -0.007418 0Rh 2pz 0.021001 0.023011 -0.028110 0.005701 0.009702 -0.011364 0Rh 2px -0.022233 0.018258 -0.009889 0.030240 0.005832 0.005399 0Rh 2py 0.009018 -0.007463 0.027767 0.043125 -0.013069 0.025428 0Rh 3pz -0.010171 -0.020156 -0.000986 -0.001558 0.000847 0.005994 0Rh 3px 0.011289 -0.008949 0.001285 -0.015486 -0.000590 0.000958 0Rh 3py -0.013782 0.002639 -0.007190 -0.016069 -0.003916 -0.014517 0Rh 4pz -0.072441 -0.042251 0.154042 -0.024252 -0.060056 0.037364 0Rh 4px 0.074322 -0.066061 0.050834 -0.100589 -0.021355 -0.034958 0Rh 4py 0.007012 0.029589 -0.117984 -0.169245 0.087240 -0.080466 0Rh 5pz 0.094579 0.015883 -0.224057 0.032167 0.126835 -0.049318 0Rh 5px -0.095136 0.115130 -0.094299 0.121916 -0.028777 0.073088 0Rh 5py -0.041807 -0.038387 0.138432 0.239603 -0.144003 0.107203 0Rh 6pz -0.154319 1.296246 0.875466 0.018009 -1.145282 0.136567 0Rh 6px 0.232246 -0.814967 0.783884 -0.169052 1.083977 -0.826188 0Rh 6py 1.231902 0.015510 -0.258731 -1.101031 0.654980 0.034058 0Rh 1dz2 0.000720 -0.009238 -0.003973 0.000624 -0.029596 -0.014951 0Rh 1dxz 0.025284 0.029113 -0.006367 -0.007880 -0.010161 -0.006258 0Rh 1dyz -0.001869 -0.002741 0.004070 0.006140 0.002980 -0.011779 0Rh 1dx2y2 -0.021087 0.039907 0.021016 0.024230 0.053947 -0.000380 0Rh 1dxy 0.028341 -0.001057 -0.021433 0.019899 0.013785 0.017878 0Rh 2dz2 0.000204 0.002235 0.000761 0.000653 0.005404 0.003373 0Rh 2dxz -0.004966 -0.006213 0.000946 0.003140 -0.000390 0.000778 0Rh 2dyz 0.002246 0.000873 -0.000691 0.001545 -0.001462 0.001088 0Rh 2dx2y2 0.005342 -0.008404 -0.004028 -0.005695 -0.009366 -0.000975 0Rh 2dxy -0.004994 0.000102 0.006207 -0.001896 -0.001841 -0.004326 0Rh 3dz2 -0.002360 0.009656 0.005050 -0.004750 0.039466 0.017310 0Rh 3dxz -0.031704 -0.035175 0.009410 0.003099 0.022977 0.009573 0Rh 3dyz -0.005866 0.001995 -0.005763 -0.020187 -0.000054 0.020495 0Rh 3dx2y2 0.021186 -0.047837 -0.027131 -0.026462 -0.073915 0.005292 0Rh 3dxy -0.038610 0.001861 0.018902 -0.033779 -0.021192 -0.019204 0Rh 4dz2 0.003565 0.042600 0.014392 0.020569 0.098004 0.058990 0Rh 4dxz -0.097635 -0.109575 0.017092 0.053219 -0.000159 0.022517 0Rh 4dyz 0.040320 0.015958 -0.011998 0.032695 -0.024447 0.019260 0Rh 4dx2y2 0.099500 -0.159044 -0.073478 -0.106607 -0.171888 -0.019018 0Rh 4dxy -0.091156 0.001274 0.106472 -0.044397 -0.036661 -0.081698 0Rh 5dz2 -0.056680 -0.161075 -0.021637 -0.243312 -0.108449 -0.123122 0Rh 5dxz 0.293461 0.232756 0.008411 -0.193147 0.193668 -0.117101 0Rh 5dyz -0.284626 -0.077211 -0.003394 -0.457578 0.119693 0.123829 0Rh 5dx2y2 -0.341315 0.466457 0.112304 0.312050 0.163678 0.168253 0Rh 5dxy 0.138055 0.010811 -0.329355 -0.004981 0.003279 0.312596 0Rh 1f0 0.002452 -0.000388 -0.010207 0.015121 -0.017098 0.009403 0Rh 1f+1 0.009961 -0.003109 -0.005509 0.005019 -0.005310 -0.008867 0Rh 1f-1 0.006875 0.005768 -0.006594 0.005834 0.009385 0.013368 0Rh 1f+2 0.001166 -0.021929 0.001161 -0.011798 0.007699 -0.002201 0Rh 1f-2 0.001452 -0.006927 0.011426 0.009742 0.003860 0.007631 0Rh 1f+3 0.007466 -0.003091 -0.008687 -0.019968 0.015023 -0.012025 0Rh 1f-3 0.006552 -0.013285 0.018641 0.012339 0.001389 -0.001371 1Rh 1s -0.000846 0.001068 0.001732 0.001293 0.003574 0.000900 1Rh 2s 0.003813 -0.003829 -0.005199 -0.005946 -0.008603 -0.003472 1Rh 3s -0.002599 0.003882 0.006917 0.003896 0.015576 0.003122 1Rh 4s -0.017793 0.017532 0.023255 0.027834 0.036877 0.016017 1Rh 5s 0.019824 -0.011982 -0.004645 -0.032161 0.026040 -0.013129 1Rh 6s 0.022422 -0.053696 -0.122373 -0.029754 -0.353243 -0.041674 1Rh 7s 0.032069 -0.038066 0.639087 0.088139 1.770175 0.130504 1Rh 8s -0.016564 -0.093577 0.051699 -0.696306 -0.030488 -0.316171 1Rh 1pz -0.006381 -0.006839 -0.008614 -0.002200 0.002831 0.003477 1Rh 1px 0.006574 -0.005293 -0.002448 -0.009023 0.001473 -0.001503 1Rh 1py -0.003097 0.002024 0.008631 -0.011635 -0.004666 -0.008043 1Rh 2pz 0.021742 0.023753 0.028668 0.007407 -0.009416 -0.011864 1Rh 2px -0.022436 0.018087 0.008198 0.030809 -0.004878 0.004977 1Rh 2py 0.010986 -0.006859 -0.029102 0.039526 0.015421 0.027542 1Rh 3pz -0.010099 -0.020291 0.000648 -0.001601 -0.000963 0.005781 1Rh 3px 0.011253 -0.008933 -0.000508 -0.015480 0.000222 0.000873 1Rh 3py -0.013975 0.002387 0.007380 -0.015546 0.002901 -0.015100 1Rh 4pz -0.076779 -0.045699 -0.155784 -0.033323 0.059034 0.040829 1Rh 4px 0.075490 -0.065228 -0.044711 -0.103563 0.017563 -0.031898 1Rh 4py -0.002801 0.027411 0.124464 -0.152060 -0.095961 -0.089421 1Rh 5pz 0.101562 0.020875 0.226735 0.046269 -0.126008 -0.054302 1Rh 5px -0.096536 0.114111 0.085242 0.125397 0.034944 0.064934 1Rh 5py -0.027191 -0.036325 -0.148536 0.215898 0.156247 0.118299 1Rh 6pz -0.169815 1.264435 -0.882628 -0.061205 1.167540 0.143420 1Rh 6px 0.239931 -0.819473 -0.734723 -0.174866 -1.126830 -0.737329 1Rh 6py 1.152470 0.023229 0.351043 -1.014659 -0.695271 0.010047 1Rh 1dz2 -0.000133 0.009123 -0.003008 0.000428 -0.029229 0.015508 1Rh 1dxz -0.026801 -0.028794 -0.007713 0.008308 -0.009893 0.008037 1Rh 1dyz 0.002905 0.002626 0.004799 -0.005835 0.003236 0.012042 1Rh 1dx2y2 0.020680 -0.040451 0.023330 -0.024870 0.052913 -0.001930 1Rh 1dxy -0.028480 0.001331 -0.021267 -0.021905 0.012477 -0.017267 1Rh 2dz2 -0.000458 -0.002184 0.000659 -0.000795 0.005323 -0.003410 1Rh 2dxz 0.005355 0.006154 0.001281 -0.003170 -0.000523 -0.001106 1Rh 2dyz -0.002611 -0.000822 -0.000565 -0.001476 -0.001552 -0.001142 1Rh 2dx2y2 -0.005268 0.008508 -0.004545 0.005765 -0.009107 0.001348 1Rh 2dxy 0.004993 -0.000189 0.006353 0.002393 -0.001636 0.004101 1Rh 3dz2 0.002213 -0.009631 0.003400 0.003124 0.039064 -0.018317 1Rh 3dxz 0.033247 0.034752 0.010807 -0.003873 0.022993 -0.011942 1Rh 3dyz 0.005270 -0.001973 -0.007901 0.019226 -0.000199 -0.020816 1Rh 3dx2y2 -0.020640 0.048545 -0.029788 0.027512 -0.072865 -0.002005 1Rh 3dxy 0.038924 -0.002070 0.017935 0.035894 -0.019313 0.018864 1Rh 4dz2 -0.007744 -0.041781 0.013050 -0.023199 0.096158 -0.059930 1Rh 4dxz 0.104373 0.108500 0.023251 -0.053932 -0.002399 -0.028444 1Rh 4dyz -0.046886 -0.015131 -0.009287 -0.031542 -0.026223 -0.020230 1Rh 4dx2y2 -0.098202 0.160951 -0.083062 0.108031 -0.166979 0.025992 1Rh 4dxy 0.090984 -0.002740 0.108558 0.053281 -0.032421 0.077880 1Rh 5dz2 0.073551 0.157939 -0.036076 0.241338 -0.098650 0.119094 1Rh 5dxz -0.310983 -0.231255 -0.011371 0.190362 0.203450 0.123723 1Rh 5dyz 0.315807 0.074013 -0.046687 0.441014 0.130358 -0.122413 1Rh 5dx2y2 0.340115 -0.470007 0.138677 -0.310345 0.145878 -0.172620 1Rh 5dxy -0.132038 -0.006150 -0.346485 -0.020766 -0.007129 -0.297032 1Rh 1f0 0.001869 -0.000476 0.009788 0.015119 0.018228 0.009103 1Rh 1f+1 0.009580 -0.002903 0.005956 0.005060 0.005518 -0.008383 1Rh 1f-1 0.007425 0.005805 0.006984 0.006300 -0.009031 0.013442 1Rh 1f+2 0.000865 -0.022159 -0.000373 -0.011351 -0.008305 -0.001597 1Rh 1f-2 0.002764 -0.006897 -0.011369 0.008525 -0.003266 0.008336 1Rh 1f+3 0.007323 -0.003146 0.010172 -0.018685 -0.016259 -0.011932 1Rh 1f-3 0.006120 -0.012857 -0.019234 0.011177 -0.001006 -0.000116 2C 1s 0.003884 0.002064 -0.003225 0.002928 -0.001026 -0.000704 2C 2s 0.004845 0.001930 -0.007298 0.004543 -0.005024 -0.001779 2C 3s 0.143257 0.074736 -0.008111 0.080472 0.108830 0.002680 2C 4s -0.809918 -0.381853 0.198825 -0.566772 -0.419804 0.027940 2C 5s -0.780722 -0.963406 1.712210 1.355152 3.822166 -1.063906 2C 1pz -0.063611 -0.052828 0.102742 -0.055227 0.010617 -0.056465 2C 1px 0.007940 0.057114 0.005403 -0.007336 0.002186 0.023063 2C 1py -0.101060 -0.052967 -0.078753 0.021941 -0.000709 0.056521 2C 2pz -0.710145 -0.352199 0.453848 -0.518946 -0.314212 -0.199290 2C 2px -0.220248 0.257062 -0.084756 -0.215035 -0.079343 0.169751 2C 2py -0.613106 -0.518283 -0.144498 -0.179005 -0.334180 0.374140 2C 3pz -0.355451 -0.757485 1.026998 -0.170506 0.695935 -0.469894 2C 3px 0.302180 0.150568 0.062286 0.720973 0.374115 0.088368 2C 3py -0.908271 -0.175370 -0.502010 0.493111 0.506104 -0.063772 2C 1dz2 0.000246 0.000872 -0.003238 0.001219 0.001263 0.003035 2C 1dxz -0.001719 -0.004400 -0.006642 0.008559 0.000291 0.000059 2C 1dyz 0.004972 0.003971 -0.000549 0.002433 -0.000891 0.000267 2C 1dx2y2 -0.000228 0.005160 -0.006728 0.001595 -0.001426 0.008374 2C 1dxy 0.004585 0.004537 0.002399 0.002651 0.001659 -0.003867 2C 2dz2 -0.300318 -0.513873 0.303003 -0.359568 -0.303257 0.126007 2C 2dxz -0.134087 -0.631992 0.016810 0.124394 -0.171171 0.117471 2C 2dyz -0.799338 -0.060633 -0.147025 -0.267947 -0.300136 0.160862 2C 2dx2y2 0.345678 0.208491 -0.247280 0.224712 0.018961 0.404568 2C 2dxy 0.171210 0.168390 0.573355 -0.181903 0.038809 -0.435687 2C 1f0 -0.001345 -0.004870 -0.018551 0.008672 -0.006684 0.024178 2C 1f+1 -0.004530 0.010703 0.013465 -0.014399 -0.002162 -0.006231 2C 1f-1 -0.024093 -0.018417 0.016369 -0.013545 -0.012408 -0.008685 2C 1f+2 0.005816 -0.016843 0.008301 0.000891 0.002460 -0.006508 2C 1f-2 -0.000053 -0.010155 -0.005607 0.000773 -0.000719 0.006722 2C 1f+3 -0.026148 -0.023576 -0.009496 -0.004859 -0.012552 0.018200 2C 1f-3 -0.006020 0.017331 -0.003807 -0.004604 -0.002557 0.005752 3C 1s -0.002027 0.002416 -0.000461 -0.000548 -0.003082 -0.001164 3C 2s -0.002482 0.002662 -0.000052 0.000114 -0.009575 0.000414 3C 3s -0.054200 0.104611 -0.000128 -0.052821 0.067045 -0.104747 3C 4s 0.264258 -0.591650 0.022036 0.253038 -0.096829 0.564718 3C 5s 1.193047 -0.741002 0.543440 0.179682 4.286254 -0.409163 3C 1pz 0.054536 -0.068174 0.019311 0.036761 0.043630 0.081405 3C 1px -0.025343 -0.014957 0.002389 0.029144 0.071481 0.045499 3C 1py -0.050646 0.057812 -0.016854 0.015403 0.001591 0.016331 3C 2pz 0.415628 -0.274784 0.338534 0.018611 -0.172826 0.748363 3C 2px -0.032351 -0.048813 -0.227774 0.363002 0.361984 0.203514 3C 2py -0.331796 0.591259 0.024347 -0.098173 0.243978 -0.130431 3C 3pz 0.314378 -0.848371 0.002914 0.377422 0.513333 0.196466 3C 3px -0.364931 -0.166043 -0.100736 -0.072029 1.011941 0.564908 3C 3py -0.780606 0.254579 -0.320277 0.116887 -0.735991 0.068800 3C 1dz2 0.002768 -0.002048 0.003745 -0.003300 -0.002187 0.006059 3C 1dxz 0.001694 -0.001589 0.000722 -0.006760 -0.005208 -0.000581 3C 1dyz 0.003285 -0.005133 0.001270 0.002278 0.002418 0.007017 3C 1dx2y2 -0.004747 0.002674 -0.003664 -0.003589 0.000904 -0.002725 3C 1dxy 0.003295 -0.001934 0.005027 0.001718 -0.005911 -0.005201 3C 2dz2 -0.119955 -0.194312 -0.141552 0.280013 0.281136 0.066777 3C 2dxz 0.363307 -0.455774 0.188946 -0.199408 -0.600261 -0.227684 3C 2dyz 0.000785 0.459435 0.397779 -0.388684 -0.157584 0.282596 3C 2dx2y2 -0.483053 0.123319 -0.310710 -0.016570 0.159138 -0.759506 3C 2dxy -0.200235 0.258731 -0.268802 0.078336 0.097726 -0.645336 3C 1f0 -0.021440 0.013347 -0.015289 -0.000406 0.002688 -0.045948 3C 1f+1 -0.015890 0.005206 -0.016953 0.013954 0.020090 -0.012843 3C 1f-1 -0.001058 0.015459 0.009383 -0.005558 0.006015 0.023528 3C 1f+2 0.000234 0.004624 -0.000376 0.004353 0.003923 -0.003366 3C 1f-2 0.004743 0.003083 0.008650 -0.012667 -0.011159 0.002649 3C 1f+3 0.010676 -0.015636 -0.003901 -0.002019 -0.016704 -0.019636 3C 1f-3 0.009497 -0.000977 0.011651 -0.008111 -0.014954 -0.002422 4C 1s -0.006612 -0.011916 0.006761 0.008005 0.002345 -0.006063 4C 2s -0.010174 -0.027696 0.016392 0.025201 0.010780 -0.015709 4C 3s -0.392914 -0.107233 0.026222 -0.401677 -0.267249 0.105226 4C 4s 3.088184 1.867742 -0.459485 1.775665 1.652825 -0.018058 4C 5s 2.513798 3.712251 -1.298179 -1.566150 -2.057678 1.540440 4C 1pz -0.031470 0.011097 0.010529 -0.049688 -0.027256 -0.009351 4C 1px -0.083985 0.043171 -0.026777 -0.131409 0.013880 0.072332 4C 1py -0.028929 -0.031974 -0.000965 -0.083968 -0.031788 0.050950 4C 2pz -0.578299 -0.262633 0.145410 -0.221039 -0.331744 0.108513 4C 2px -0.177340 0.008495 -0.070698 -0.326222 0.024011 0.084001 4C 2py -0.370408 -0.176111 0.136263 -0.272939 -0.184488 0.059783 4C 3pz 0.055964 0.763335 0.410231 1.060064 2.900355 -0.601044 4C 3px -0.550190 -0.018229 0.207955 -1.186975 0.444143 -0.297129 4C 3py 0.781509 -0.094467 1.253081 -0.025675 1.812330 -0.177768 4C 1dz2 -0.019158 0.000368 -0.005869 -0.004363 -0.005322 -0.001281 4C 1dxz -0.009893 -0.005840 0.004976 -0.003354 -0.007591 -0.007020 4C 1dyz -0.002793 -0.008282 0.006009 -0.002353 -0.005651 0.000141 4C 1dx2y2 0.009684 0.009624 -0.001429 0.009507 0.009542 -0.003740 4C 1dxy 0.001169 0.003206 -0.002477 0.009999 0.004532 -0.001536 4C 2dz2 0.260296 -0.031757 0.060000 0.205295 0.107664 -0.045580 4C 2dxz 0.126005 -0.102613 0.273608 -0.172107 0.086208 -0.098703 4C 2dyz 0.315754 0.236227 -0.143919 0.138987 0.159189 -0.077040 4C 2dx2y2 0.215342 0.026649 0.293344 -0.271224 -0.177599 -0.099444 4C 2dxy -0.029489 0.199966 -0.427879 0.055035 0.045033 0.248536 4C 1f0 -0.010419 -0.006341 0.006066 -0.008779 -0.002472 -0.003460 4C 1f+1 -0.026422 -0.006440 0.004760 -0.014429 -0.006820 0.005504 4C 1f-1 -0.023389 -0.012180 0.008418 -0.018045 -0.022151 0.003961 4C 1f+2 0.024799 0.018153 -0.005348 0.024715 0.011482 -0.004242 4C 1f-2 -0.012626 0.000664 -0.005373 -0.010852 -0.006480 0.009285 4C 1f+3 -0.005677 0.005139 -0.005089 0.007620 -0.003131 0.005262 4C 1f-3 -0.016408 -0.010130 0.004444 -0.004139 -0.004431 0.003117 5C 1s 0.011730 -0.007201 0.004777 -0.002726 0.003511 0.004282 5C 2s 0.027881 -0.013513 0.012913 -0.008861 0.011601 0.007499 5C 3s 0.073213 -0.246456 -0.048681 0.136541 -0.153330 0.200036 5C 4s -1.538597 2.277695 -0.125603 -0.604925 1.014877 -1.781742 5C 5s -3.361459 2.491619 -0.806838 0.544129 -2.361303 -1.608836 5C 1pz 0.004580 0.006926 0.032571 -0.031532 -0.029054 0.078908 5C 1px 0.027782 0.009856 0.017729 0.134447 0.034415 -0.026456 5C 1py 0.028270 0.040169 0.028359 -0.025347 0.022486 -0.016008 5C 2pz 0.111126 -0.176963 -0.019263 0.021963 -0.116400 0.155824 5C 2px 0.228868 -0.073958 0.199172 -0.046865 0.015060 0.089466 5C 2py -0.233633 0.353783 -0.025423 -0.139347 0.110079 -0.220287 5C 3pz -0.101732 0.894545 0.295560 -0.106139 1.831335 -0.200169 5C 3px 0.691123 -0.194691 1.077455 0.066421 0.435023 -0.654731 5C 3py 0.686199 0.302897 -0.042891 -0.375390 -3.255854 0.596015 5C 1dz2 0.005307 0.007195 0.003166 -0.000302 -0.005108 0.005134 5C 1dxz 0.003121 -0.005512 0.003242 -0.001663 -0.005971 0.013049 5C 1dyz -0.005331 -0.001713 0.002545 -0.000870 -0.002825 0.001154 5C 1dx2y2 -0.004979 0.017096 0.003337 -0.009386 0.003633 -0.007935 5C 1dxy -0.004956 0.005563 -0.000227 0.004977 0.009063 -0.004996 5C 2dz2 0.162590 -0.200691 -0.092855 0.141698 0.059279 -0.176621 5C 2dxz -0.029121 -0.151685 0.060406 0.136648 0.316001 0.160578 5C 2dyz 0.265331 -0.137925 0.096223 -0.074623 -0.037830 0.227066 5C 2dx2y2 -0.050823 -0.129555 -0.127292 0.273356 -0.001729 -0.010175 5C 2dxy -0.104769 -0.157248 -0.008312 0.097005 0.065562 0.312246 5C 1f0 0.004884 0.002721 0.001248 -0.008399 0.007931 -0.006881 5C 1f+1 0.001896 -0.007587 0.000169 0.000224 0.001978 0.012208 5C 1f-1 -0.002924 0.000604 -0.003732 0.005181 0.005760 -0.007495 5C 1f+2 -0.013911 0.010355 -0.004775 0.004427 0.017838 -0.009579 5C 1f-2 -0.013888 0.014702 -0.003192 -0.005599 0.001556 -0.014911 5C 1f+3 0.004817 -0.014668 -0.005671 0.013725 -0.000329 0.011514 5C 1f-3 -0.015205 0.020435 -0.002017 -0.000353 0.007649 -0.005831 6C 1s -0.011307 0.007169 0.004110 0.002745 0.003429 -0.004543 6C 2s -0.027101 0.013420 0.011080 0.008876 0.011502 -0.008331 6C 3s -0.059478 0.247709 -0.035023 -0.134596 -0.159444 -0.191656 6C 4s 1.460719 -2.288649 -0.144202 0.565736 1.060625 1.739393 6C 5s 3.251143 -2.482434 -0.638465 -0.477085 -2.333659 1.706553 6C 1pz 0.005232 0.006072 -0.028231 -0.035390 0.028794 0.078363 6C 1px 0.028586 0.009813 -0.031134 0.132939 -0.031326 -0.026709 6C 1py 0.029847 0.039832 -0.025173 -0.026477 -0.023789 -0.015340 6C 2pz 0.093959 -0.178377 0.018729 0.020038 0.115503 0.152102 6C 2px 0.226868 -0.072599 -0.207633 -0.060012 -0.013251 0.090968 6C 2py -0.210666 0.356631 0.035105 -0.134167 -0.115761 -0.215763 6C 3pz -0.163398 0.916745 -0.259172 -0.058528 -1.825786 -0.138859 6C 3px 0.703681 -0.186108 -1.105175 -0.001492 -0.449295 -0.575809 6C 3py 0.749275 0.271618 0.065275 -0.493442 3.242017 0.486147 6C 1dz2 -0.005318 -0.007204 0.003005 0.000855 -0.005093 -0.004926 6C 1dxz -0.002891 0.005646 0.002782 0.002017 -0.006191 -0.012843 6C 1dyz 0.004588 0.001779 0.002556 0.001304 -0.002821 -0.001321 6C 1dx2y2 0.004327 -0.017093 0.002667 0.009487 0.004043 0.007428 6C 1dxy 0.004612 -0.005560 0.000269 -0.005313 0.008962 0.004899 6C 2dz2 -0.153284 0.198461 -0.086388 -0.152018 0.053228 0.172171 6C 2dxz 0.015633 0.156089 0.065213 -0.145512 0.303199 -0.167743 6C 2dyz -0.238162 0.135923 0.090999 0.077977 -0.036337 -0.224961 6C 2dx2y2 0.055393 0.130034 -0.103910 -0.282083 -0.013335 0.018112 6C 2dxy 0.112721 0.161613 -0.011129 -0.102071 0.055528 -0.310995 6C 1f0 0.005015 0.002863 -0.000792 -0.008088 -0.008283 -0.006447 6C 1f+1 0.001377 -0.007684 0.000051 0.000425 -0.001891 0.012237 6C 1f-1 -0.003073 0.000711 0.003157 0.005699 -0.005521 -0.007500 6C 1f+2 -0.013530 0.010427 0.004531 0.005402 -0.017693 -0.009338 6C 1f-2 -0.013035 0.014746 0.003834 -0.005455 -0.001937 -0.014604 6C 1f+3 0.003602 -0.014678 0.004658 0.014130 0.000943 0.011013 6C 1f-3 -0.014209 0.020423 0.001990 -0.000214 -0.007781 -0.006065 7C 1s 0.006328 0.011908 0.007623 -0.007587 0.002152 0.005674 7C 2s 0.009752 0.027597 0.018596 -0.024464 0.009989 0.014622 7C 3s 0.378758 0.111770 0.017530 0.418945 -0.244590 -0.098838 7C 4s -3.017386 -1.887654 -0.492147 -1.899883 1.522912 -0.011652 7C 5s -2.428011 -3.704174 -1.522927 1.551728 -2.030169 -1.374997 7C 1pz -0.031946 0.010448 -0.011404 -0.050868 0.022587 -0.009417 7C 1px -0.079753 0.042537 0.036040 -0.130363 -0.016365 0.070022 7C 1py -0.028677 -0.030964 0.006456 -0.085311 0.028899 0.051133 7C 2pz -0.560078 -0.261809 -0.151653 -0.247511 0.308472 0.113170 7C 2px -0.166570 0.003630 0.081193 -0.322091 -0.032530 0.076701 7C 2py -0.355360 -0.179034 -0.133072 -0.295630 0.168436 0.061490 7C 3pz 0.113143 0.771294 -0.476464 1.167452 -2.839168 -0.428309 7C 3px -0.579013 -0.039234 -0.128133 -1.154695 -0.478099 -0.281666 7C 3py 0.828117 -0.097790 -1.218087 -0.028130 -1.795038 -0.055811 7C 1dz2 0.018499 -0.000357 -0.005420 0.004354 -0.004917 0.001608 7C 1dxz 0.009925 0.005936 0.005565 0.003801 -0.006989 0.006970 7C 1dyz 0.001926 0.008358 0.005868 0.003241 -0.005535 -0.000239 7C 1dx2y2 -0.009461 -0.009743 -0.001314 -0.010091 0.009052 0.003404 7C 1dxy -0.000827 -0.003178 -0.001799 -0.010425 0.004116 0.001427 7C 2dz2 -0.247711 0.030732 0.059900 -0.204307 0.094994 0.044321 7C 2dxz -0.134951 0.104488 0.258308 0.191180 0.090589 0.092634 7C 2dyz -0.294830 -0.238872 -0.145300 -0.161549 0.151225 0.083142 7C 2dx2y2 -0.228007 -0.027505 0.269926 0.301716 -0.162919 0.099066 7C 2dxy 0.045291 -0.199952 -0.430134 -0.086340 0.029141 -0.234847 7C 1f0 -0.010254 -0.006568 -0.006150 -0.009067 0.001658 -0.003441 7C 1f+1 -0.024720 -0.006740 -0.005052 -0.015552 0.005822 0.005442 7C 1f-1 -0.022914 -0.012296 -0.008330 -0.019556 0.020699 0.003669 7C 1f+2 0.024403 0.018496 0.004713 0.025786 -0.010332 -0.004237 7C 1f-2 -0.011785 0.000650 0.005613 -0.011135 0.006076 0.008805 7C 1f+3 -0.005470 0.005313 0.004484 0.007626 0.003420 0.005065 7C 1f-3 -0.015843 -0.010276 -0.004766 -0.004953 0.004034 0.003431 8C 1s 0.001614 -0.002389 -0.000516 0.000704 -0.003025 0.001305 8C 2s 0.001471 -0.002572 -0.000149 0.000447 -0.009525 -0.000015 8C 3s 0.051079 -0.104955 -0.002046 0.049888 0.069839 0.100655 8C 4s -0.228078 0.590771 0.034365 -0.247555 -0.112286 -0.553951 8C 5s -1.022728 0.701501 0.498807 -0.334343 4.266803 0.247204 8C 1pz 0.056485 -0.068987 -0.018040 0.036758 -0.041348 0.083653 8C 1px -0.024833 -0.014833 -0.004665 0.031014 -0.068737 0.044577 8C 1py -0.043449 0.057169 0.017032 0.015225 -0.000804 0.014668 8C 2pz 0.419232 -0.279909 -0.317166 -0.013157 0.179942 0.750946 8C 2px -0.050266 -0.049716 0.201042 0.389435 -0.345538 0.186375 8C 2py -0.285302 0.589948 -0.010225 -0.097336 -0.250484 -0.125422 8C 3pz 0.309318 -0.850538 -0.019565 0.399292 -0.500938 0.219635 8C 3px -0.380814 -0.162709 0.125381 -0.024446 -0.994716 0.567429 8C 3py -0.717548 0.242402 0.294262 0.102700 0.735281 0.028475 8C 1dz2 -0.002964 0.002097 0.003554 0.003763 -0.002090 -0.006081 8C 1dxz -0.001452 0.001548 0.000158 0.006866 -0.004903 0.000635 8C 1dyz -0.003452 0.005207 0.001076 -0.002223 0.002106 -0.007077 8C 1dx2y2 0.005166 -0.002734 -0.003630 0.003179 0.001162 0.002832 8C 1dxy -0.003254 0.001886 0.005373 -0.001218 -0.005785 0.004980 8C 2dz2 0.095493 0.199671 -0.122774 -0.292240 0.261281 -0.066168 8C 2dxz -0.350694 0.454084 0.173461 0.226630 -0.588811 0.224348 8C 2dyz -0.045002 -0.456102 0.352014 0.428931 -0.146904 -0.292561 8C 2dx2y2 0.490434 -0.131553 -0.291367 -0.018309 0.167361 0.751424 8C 2dxy 0.212223 -0.264198 -0.251827 -0.103440 0.107812 0.650933 8C 1f0 -0.021927 0.013895 0.014378 0.001189 -0.003508 -0.045886 8C 1f+1 -0.016167 0.005197 0.015169 0.015824 -0.019457 -0.012803 8C 1f-1 0.000287 0.015275 -0.008435 -0.006407 -0.006018 0.023720 8C 1f+2 0.000712 0.004674 -0.000260 0.004375 -0.003855 -0.003049 8C 1f-2 0.005505 0.002844 -0.007342 -0.013576 0.010746 0.002757 8C 1f+3 0.008737 -0.015440 0.003442 -0.001632 0.016034 -0.019682 8C 1f-3 0.010724 -0.001250 -0.010687 -0.009548 0.014776 -0.002029 9C 1s -0.003515 -0.002099 -0.003190 -0.003179 -0.001189 0.000940 9C 2s -0.003909 -0.002016 -0.007153 -0.005029 -0.005210 0.002392 9C 3s -0.140279 -0.075501 -0.010616 -0.086018 0.101992 -0.004070 9C 4s 0.774375 0.388246 0.207849 0.602632 -0.377053 -0.036243 9C 5s 0.638030 0.957991 1.809875 -1.397699 3.745814 0.797559 9C 1pz -0.058219 -0.054244 -0.103329 -0.062940 -0.015800 -0.053215 9C 1px 0.014864 0.056312 -0.007150 -0.010707 -0.001383 0.021683 9C 1py -0.102242 -0.052245 0.075196 0.027401 0.003222 0.057698 9C 2pz -0.676871 -0.360859 -0.463063 -0.566029 0.268620 -0.194824 9C 2px -0.175853 0.260016 0.084548 -0.230779 0.070633 0.164367 9C 2py -0.606643 -0.513163 0.143157 -0.187405 0.329645 0.376599 9C 3pz -0.302919 -0.760667 -1.029108 -0.217827 -0.705672 -0.399381 9C 3px 0.352644 0.150676 -0.133255 0.707618 -0.341156 0.101955 9C 3py -0.901792 -0.174081 0.435934 0.555073 -0.492526 -0.034374 9C 1dz2 0.000139 -0.000846 -0.003262 -0.001683 0.001041 -0.002944 9C 1dxz 0.001838 0.004302 -0.005858 -0.008961 0.000004 -0.000017 9C 1dyz -0.005198 -0.003936 -0.000790 -0.002380 -0.001111 -0.000231 9C 1dx2y2 0.000135 -0.005100 -0.006820 -0.001937 -0.001728 -0.008366 9C 1dxy -0.004903 -0.004623 0.002486 -0.002468 0.001714 0.003772 9C 2dz2 0.277854 0.506715 0.284490 0.399864 -0.282815 -0.127669 9C 2dxz 0.168012 0.633974 0.023495 -0.128922 -0.178189 -0.115227 9C 2dyz 0.768136 0.073883 -0.131257 0.281583 -0.283942 -0.160004 9C 2dx2y2 -0.362395 -0.203716 -0.266972 -0.236147 -0.012778 -0.413369 9C 2dxy -0.190624 -0.164177 0.568230 0.216568 0.061527 0.422179 9C 1f0 -0.000492 -0.004722 0.018912 0.009371 0.007957 0.024284 9C 1f+1 -0.002837 0.010695 -0.012477 -0.015644 0.001230 -0.005655 9C 1f-1 -0.023370 -0.018532 -0.016887 -0.015419 0.011024 -0.008494 9C 1f+2 0.003955 -0.016348 -0.008044 0.000721 -0.002455 -0.006423 9C 1f-2 -0.000883 -0.010340 0.005775 0.001246 0.001186 0.006664 9C 1f+3 -0.026064 -0.023780 0.009584 -0.004503 0.012605 0.017933 9C 1f-3 -0.005067 0.016401 0.003799 -0.005415 0.002830 0.006164 10H 1s 0.023106 0.044357 -0.015629 -0.000361 0.004837 0.023217 10H 2s -0.174862 -0.800297 0.436778 -0.111362 -0.133574 -0.398355 10H 3s -0.136628 0.035186 -0.110383 -0.388214 -0.374274 0.010818 10H 1pz -0.006192 -0.038702 0.012366 0.000686 -0.006218 -0.010074 10H 1px 0.008730 0.047057 -0.034217 0.006203 0.009301 0.022241 10H 1py 0.010377 -0.012655 0.025944 -0.008055 0.000219 -0.013860 11H 1s -0.004918 -0.013916 -0.035794 0.020140 0.004326 0.012832 11H 2s -0.090987 0.708996 0.457786 -0.474605 0.053371 -0.448644 11H 3s 0.240196 -0.303597 0.163176 0.025298 -0.134697 0.075028 11H 1pz -0.015191 0.048921 -0.000142 -0.016675 -0.004997 -0.006251 11H 1px -0.012078 0.020190 0.028576 -0.035697 0.005761 -0.026147 11H 1py 0.003998 -0.019687 -0.015230 0.003410 -0.008661 0.013936 12H 1s 0.029984 0.012260 0.035036 -0.007291 0.011761 -0.038078 12H 2s -0.467518 -0.320345 -0.807596 0.110182 -0.323241 0.914216 12H 3s -0.137839 0.178060 -0.318492 0.165956 -0.051383 -0.084308 12H 1pz 0.012869 0.005644 0.016052 -0.008980 -0.006498 -0.003469 12H 1px -0.034152 -0.022290 -0.026642 -0.006582 -0.008811 0.022347 12H 1py -0.020411 -0.028375 -0.033692 -0.000304 -0.027308 0.066848 13H 1s -0.033340 0.024252 -0.012227 0.014039 0.027066 -0.022295 13H 2s 0.694282 -0.381013 0.722784 -0.472909 -0.952363 0.481348 13H 3s -0.007098 -0.081264 -0.244559 0.199895 -0.293666 -0.186731 13H 1pz 0.038792 -0.007793 0.042864 -0.033476 -0.062645 0.013981 13H 1px -0.034184 0.020694 -0.035907 0.020233 0.041601 -0.031553 13H 1py -0.019422 0.015145 -0.032277 0.028452 0.030798 -0.037762 14H 1s -0.008706 0.009516 -0.007944 -0.021723 -0.022049 -0.042752 14H 2s -0.042201 0.127724 0.040673 0.367986 0.601634 1.013173 14H 3s -0.216724 -0.280106 -0.025069 -0.038910 -0.109214 0.149850 14H 1pz -0.001829 0.029964 0.008823 0.004279 0.015722 0.037171 14H 1px 0.010009 0.006608 0.003072 0.025418 0.031405 0.067128 14H 1py -0.001749 -0.009237 0.001477 0.000757 0.015732 0.004013 15H 1s -0.000542 -0.006645 0.009071 0.001074 0.013255 0.039586 15H 2s -0.298534 -0.262444 -0.561042 0.157952 0.009428 -1.099694 15H 3s 0.160665 0.209229 0.257378 -0.252545 -0.174184 0.358942 15H 1pz 0.003633 0.018290 0.022547 -0.003063 -0.010640 0.044047 15H 1px 0.010715 -0.006983 -0.004192 0.004719 -0.012225 -0.028560 15H 1py 0.023429 0.015882 0.048820 -0.031119 -0.005202 0.076165 16H 1s -0.006668 0.005494 0.002914 -0.014065 -0.002045 0.012530 16H 2s -0.027873 -0.110600 0.031693 0.121871 0.253446 -0.021521 16H 3s -0.106135 -0.031987 -0.036263 -0.036560 -0.212430 -0.004777 16H 1pz 0.025313 -0.008487 -0.023497 0.001609 -0.013746 -0.017458 16H 1px -0.007881 0.023269 0.006304 -0.065641 0.003817 0.032708 16H 1py -0.034398 -0.001665 0.050563 0.036103 0.060526 0.009624 17H 1s 0.002138 -0.009608 -0.006873 0.018323 -0.006489 -0.006398 17H 2s -0.086073 -0.002410 0.157852 0.040333 0.270552 0.034026 17H 3s -0.083353 0.174359 0.010235 -0.071075 -0.081615 -0.008908 17H 1pz -0.027221 -0.004333 0.042578 0.044529 -0.000118 -0.000860 17H 1px 0.014519 -0.009280 -0.040043 0.032874 0.010352 -0.024903 17H 1py -0.022647 -0.004411 0.026632 0.046752 0.046956 -0.010144 18H 1s -0.001787 0.010192 -0.005650 -0.017820 -0.006935 0.006573 18H 2s 0.084064 0.005383 0.154935 -0.038635 0.270921 -0.050029 18H 3s 0.075753 -0.174518 0.008506 0.076167 -0.079932 0.016158 18H 1pz -0.026539 -0.003594 -0.045888 0.039473 0.001873 0.001896 18H 1px 0.012975 -0.009798 0.038735 0.035939 -0.008566 -0.025728 18H 1py -0.024643 -0.004112 -0.030510 0.048203 -0.045566 -0.006745 19H 1s 0.006512 -0.005105 0.001181 0.014400 -0.001535 -0.012385 19H 2s 0.032803 0.109448 0.037213 -0.130349 0.251086 0.006913 19H 3s 0.113786 0.031425 -0.026892 0.043228 -0.209344 0.010252 19H 1pz 0.024801 -0.008547 0.024393 0.002564 0.015472 -0.018712 19H 1px -0.007349 0.021874 -0.000431 -0.065595 -0.005965 0.031628 19H 1py -0.032389 -0.000742 -0.052801 0.033191 -0.060010 0.013970 20H 1s -0.001788 0.007050 0.007520 -0.000273 0.012679 -0.039891 20H 2s 0.355079 0.251458 -0.506525 -0.209460 0.014436 1.109583 20H 3s -0.174210 -0.208950 0.226424 0.283748 -0.170266 -0.359142 20H 1pz 0.006910 0.017687 -0.020818 -0.005686 0.010988 0.043969 20H 1px 0.009804 -0.006895 0.003442 0.005051 0.011773 -0.028831 20H 1py 0.026400 0.015325 -0.043822 -0.035459 0.004602 0.076855 21H 1s 0.009779 -0.009829 -0.008464 0.021448 -0.020492 0.042379 21H 2s 0.011317 -0.118703 0.048312 -0.369691 0.573448 -0.998977 21H 3s 0.203420 0.284481 -0.027341 0.039496 -0.111911 -0.143396 21H 1pz -0.001161 0.029819 -0.008598 0.003742 -0.015076 0.036798 21H 1px 0.011226 0.005760 -0.003655 0.025269 -0.029687 0.066074 21H 1py -0.001498 -0.009306 -0.001232 0.001497 -0.015531 0.004422 22H 1s 0.033362 -0.024600 -0.009841 -0.015727 0.026689 0.022770 22H 2s -0.720193 0.388730 0.665617 0.557032 -0.935901 -0.501548 22H 3s 0.002925 0.081383 -0.219165 -0.201574 -0.295524 0.201834 22H 1pz 0.039420 -0.008133 -0.039434 -0.038253 0.060884 0.014779 22H 1px -0.035686 0.021006 0.033311 0.024354 -0.041528 -0.032439 22H 1py -0.021464 0.015669 0.029410 0.031990 -0.030334 -0.038431 23H 1s -0.029941 -0.011698 0.034619 0.009169 0.013315 0.037676 23H 2s 0.461067 0.311845 -0.808719 -0.140824 -0.354910 -0.903162 23H 3s 0.154864 -0.173477 -0.286415 -0.186930 -0.047585 0.103383 23H 1pz 0.013008 0.006120 -0.015093 -0.010156 0.005990 -0.003835 23H 1px -0.034059 -0.021266 0.026662 -0.005232 0.008776 0.021411 23H 1py -0.019428 -0.027743 0.035240 -0.000205 0.029342 0.066483 24H 1s 0.007062 0.013271 -0.034962 -0.023695 0.002719 -0.013047 24H 2s 0.029476 -0.696187 0.463993 0.525323 0.094908 0.451737 24H 3s -0.235433 0.300961 0.161131 -0.009053 -0.138024 -0.071295 24H 1pz -0.013024 0.048305 -0.000390 -0.017570 0.003384 -0.007119 24H 1px -0.009537 0.019984 -0.028381 -0.038448 -0.008515 -0.026123 24H 1py 0.001068 -0.019191 0.015877 0.004471 0.009132 0.013159 25H 1s -0.024937 -0.043957 -0.016731 -0.000011 0.003573 -0.022616 25H 2s 0.242697 0.800346 0.434768 0.115745 -0.110141 0.397947 25H 3s 0.137104 -0.034919 -0.134987 0.398161 -0.355417 0.003643 25H 1pz -0.009998 -0.038758 -0.012804 0.001134 0.005634 -0.010242 25H 1px 0.012419 0.046935 0.034136 0.007137 -0.007973 0.022268 25H 1py 0.009338 -0.012181 -0.024678 -0.009023 -0.001296 -0.013613 26O 1s -0.002316 -0.002087 -0.003542 0.003611 -0.010780 -0.004179 26O 2s -0.006215 -0.004980 -0.007098 0.004609 -0.020976 -0.009541 26O 3s 0.023772 0.008205 -0.020429 0.071064 -0.066063 -0.001009 26O 4s 0.077751 0.113422 0.222896 -0.518143 0.893781 0.196163 26O 5s -0.996871 -1.312128 -0.084579 1.594626 -2.417245 -0.582752 26O 1pz -0.019986 0.041612 -0.027685 0.010002 0.013107 0.035056 26O 1px -0.044427 0.020699 -0.050910 -0.020947 0.001595 0.029001 26O 1py 0.004170 -0.004582 0.031590 -0.025619 0.004663 0.013454 26O 2pz -0.082382 0.015588 -0.044212 -0.022421 0.106804 0.052568 26O 2px -0.017056 0.063119 -0.144008 -0.004894 0.053583 0.029973 26O 2py 0.053201 -0.034465 0.113051 -0.083196 0.090951 -0.014572 26O 3pz 0.363198 0.269983 -0.110328 0.123787 -0.916823 0.060038 26O 3px 0.862561 0.966776 0.089258 -0.210563 0.301500 0.356015 26O 3py 0.288752 0.672455 -0.069690 0.010715 -0.588407 -0.010045 26O 1dz2 -0.002195 -0.004220 -0.001615 0.001954 -0.000968 0.000271 26O 1dxz -0.000468 0.000002 -0.004162 -0.000587 -0.001408 0.002613 26O 1dyz 0.000939 0.000701 -0.003514 -0.003994 0.001011 0.000279 26O 1dx2y2 -0.000887 0.004427 -0.005815 0.001999 0.002908 0.007140 26O 1dxy 0.005325 0.002457 0.005282 -0.007283 0.000438 -0.001306 26O 2dz2 0.032134 -0.021610 -0.004159 0.004479 -0.001040 -0.007581 26O 2dxz -0.003264 0.001195 -0.009046 0.012933 0.006354 0.013202 26O 2dyz -0.026149 0.006340 0.016133 -0.033433 0.034094 -0.000888 26O 2dx2y2 -0.032467 -0.021244 -0.004760 -0.039772 -0.010395 0.033853 26O 2dxy -0.020631 -0.017792 0.030279 -0.065357 -0.010694 0.000373 26O 1f0 0.001383 -0.000574 -0.001019 -0.000661 0.000390 0.001956 26O 1f+1 -0.004399 -0.000355 -0.000096 -0.004947 -0.001189 0.001880 26O 1f-1 -0.001745 0.001050 0.000110 -0.000824 0.001038 0.000999 26O 1f+2 -0.000696 -0.001446 -0.002023 -0.000081 -0.001945 -0.000425 26O 1f-2 -0.000426 -0.000896 0.001157 0.000795 0.000258 -0.000438 26O 1f+3 -0.000271 -0.003278 0.003712 -0.004839 -0.002608 -0.000519 26O 1f-3 -0.004687 -0.000538 0.000084 -0.005547 -0.002624 0.002950 27O 1s -0.004106 -0.003337 -0.006607 0.000747 -0.006315 0.009850 27O 2s -0.008323 -0.009127 -0.013015 0.003139 -0.011375 0.020023 27O 3s -0.021246 0.032526 -0.038974 -0.027365 -0.055411 0.042769 27O 4s 0.262475 0.065927 0.497938 0.062445 0.614274 -0.747961 27O 5s -0.012755 -0.932683 -1.064465 -0.018341 -1.735093 2.412779 27O 1pz 0.004092 0.048620 -0.010083 0.002250 -0.008746 -0.025488 27O 1px 0.008330 0.015787 -0.017535 0.041460 0.029388 -0.029559 27O 1py 0.028442 -0.009126 0.047243 -0.042973 -0.041885 0.008398 27O 2pz 0.061923 0.075853 0.037553 0.001607 -0.016357 -0.055295 27O 2px 0.012094 0.056892 -0.050356 0.016617 0.123669 -0.081686 27O 2py 0.013322 0.019482 0.039685 -0.116920 -0.160359 0.026774 27O 3pz -0.301385 -0.244059 -0.283851 -0.033221 -0.536958 0.141433 27O 3px -0.755590 0.824920 0.406181 -0.000664 -0.288156 -0.533427 27O 3py 0.427741 -0.319836 -0.151917 0.238651 0.966268 -0.330025 27O 1dz2 0.000761 -0.003388 -0.001703 -0.001346 0.000026 0.002446 27O 1dxz 0.002570 0.000287 -0.001912 -0.004570 -0.005676 -0.004409 27O 1dyz -0.001754 -0.000742 -0.000087 0.000658 0.000633 0.004547 27O 1dx2y2 -0.001777 0.003589 0.001727 -0.000503 -0.001309 -0.005557 27O 1dxy 0.001044 0.000040 0.000212 -0.001754 -0.000764 0.000587 27O 2dz2 -0.005854 -0.011954 -0.025007 0.003462 0.007561 -0.028455 27O 2dxz -0.003566 -0.004883 -0.018189 -0.008020 0.004421 -0.019774 27O 2dyz -0.017766 0.028801 -0.046097 -0.040608 0.023722 0.025965 27O 2dx2y2 0.014745 -0.039018 -0.026537 0.040067 -0.011161 -0.010917 27O 2dxy 0.015999 0.024283 -0.008681 -0.030442 -0.021560 -0.015195 27O 1f0 -0.000693 -0.000584 -0.001147 0.000895 0.001724 -0.002181 27O 1f+1 0.001154 -0.001760 0.000793 0.003012 -0.002129 0.001750 27O 1f-1 0.000149 0.001103 0.000086 -0.001221 0.000406 0.001725 27O 1f+2 0.002908 -0.000715 -0.000327 -0.001482 -0.004293 -0.000243 27O 1f-2 0.000816 -0.000955 -0.000712 -0.000625 -0.001658 -0.001202 27O 1f+3 -0.000762 -0.004142 -0.000239 0.005331 -0.000521 0.002545 27O 1f-3 -0.000188 -0.001576 -0.001203 -0.002128 -0.001114 0.000212 28O 1s -0.007166 -0.007621 -0.000752 -0.012334 -0.008598 -0.001878 28O 2s -0.016146 -0.015827 -0.001161 -0.025916 -0.016543 -0.004577 28O 3s 0.003546 -0.026011 -0.012073 -0.032977 -0.054844 0.001465 28O 4s 0.408831 0.554876 0.094834 0.818756 0.708611 0.104908 28O 5s -1.983726 -2.182387 -0.215524 -2.665863 -1.831839 -0.347359 28O 1pz 0.033398 0.006880 0.001339 0.012985 0.011205 -0.028352 28O 1px -0.004201 0.008098 -0.008985 -0.035419 0.017386 0.010566 28O 1py 0.024671 0.004130 0.001942 0.015607 0.006427 0.012761 28O 2pz 0.071933 0.043281 0.018365 0.118774 0.135447 -0.089463 28O 2px -0.058798 -0.008566 -0.015668 -0.098895 0.000587 0.001962 28O 2py 0.057998 -0.033348 -0.004561 0.062333 0.057423 0.027923 28O 3pz 0.671214 0.396371 -0.049699 -0.437105 -0.803604 0.284720 28O 3px -0.685560 -0.711519 0.230386 -0.561051 -0.383024 -0.004843 28O 3py -0.312481 0.321099 -0.506955 -0.252247 -0.448696 0.129047 28O 1dz2 0.003225 0.002405 0.003855 0.000033 -0.001021 -0.000525 28O 1dxz -0.004842 -0.004575 0.000891 -0.002995 -0.000251 -0.000549 28O 1dyz 0.000621 0.004508 -0.004879 0.005417 -0.000182 0.003488 28O 1dx2y2 0.003854 0.001432 0.000018 0.003153 0.000699 -0.000943 28O 1dxy 0.002550 -0.001629 0.004186 -0.000899 -0.000081 -0.003298 28O 2dz2 0.018669 -0.004434 0.045482 -0.028345 0.014478 -0.012907 28O 2dxz 0.030225 0.003919 0.014112 0.041065 -0.000536 -0.018168 28O 2dyz -0.025329 0.006260 -0.043654 -0.002193 0.028152 -0.002274 28O 2dx2y2 0.000315 -0.006685 0.023708 -0.008743 -0.010177 0.000001 28O 2dxy 0.004454 -0.004772 -0.008384 0.015165 -0.015139 -0.012176 28O 1f0 -0.002184 0.000925 0.000949 -0.003301 -0.001148 -0.001105 28O 1f+1 0.001273 -0.002316 0.001512 -0.000005 -0.000698 -0.000646 28O 1f-1 0.000525 -0.001797 0.001650 -0.003491 0.003009 -0.000111 28O 1f+2 0.003806 0.001830 0.001403 0.004336 0.001912 -0.000829 28O 1f-2 0.000567 0.000157 0.001561 0.000150 0.000585 -0.002281 28O 1f+3 0.001736 0.001195 -0.001248 0.002586 0.002796 -0.000865 28O 1f-3 0.000794 -0.000483 0.001631 -0.000199 0.000892 -0.001986 29O 1s -0.002401 0.005276 -0.002230 0.002821 -0.004520 0.003799 29O 2s -0.006616 0.011881 -0.003941 0.008127 -0.006065 0.008963 29O 3s 0.022080 0.001437 -0.018928 -0.032045 -0.073011 -0.006465 29O 4s -0.015929 -0.244937 0.210383 0.054079 0.607295 -0.136413 29O 5s 0.079174 0.591022 -0.549602 -0.150157 -1.523214 0.344610 29O 1pz 0.002602 -0.022203 -0.007940 -0.021836 -0.002144 -0.002657 29O 1px -0.035333 0.025062 0.009526 0.031874 0.018130 0.015929 29O 1py -0.019865 0.000946 0.009394 -0.000723 -0.000202 -0.011854 29O 2pz 0.016273 -0.025334 0.010070 0.021257 0.050440 -0.025748 29O 2px -0.031125 0.057228 -0.033465 0.016793 -0.116252 0.017437 29O 2py 0.007293 -0.002664 0.004053 -0.023534 0.030576 -0.012376 29O 3pz -0.014695 -0.055737 -0.202756 0.030728 -0.204366 0.044485 29O 3px 0.164491 -0.324139 0.107088 0.023254 0.567930 -0.145595 29O 3py -0.111155 -0.045987 0.081111 0.130279 0.112805 0.024483 29O 1dz2 -0.000744 -0.001154 0.002145 0.001077 0.001174 -0.000152 29O 1dxz -0.000084 -0.001353 0.000409 0.000904 0.000905 -0.000770 29O 1dyz 0.000670 -0.000364 -0.001633 -0.000390 -0.000277 -0.000092 29O 1dx2y2 -0.001299 0.000331 0.000535 0.001660 0.003218 0.000295 29O 1dxy -0.000477 -0.000120 -0.000531 0.000353 -0.000591 -0.000331 29O 2dz2 -0.027895 0.029545 0.049549 -0.000363 0.018075 0.013427 29O 2dxz 0.007158 -0.059632 -0.038108 0.042928 -0.061119 -0.045481 29O 2dyz 0.032574 -0.010276 -0.042714 -0.030342 -0.022920 -0.004620 29O 2dx2y2 -0.022955 -0.007256 0.015802 0.075207 0.103289 0.002834 29O 2dxy -0.054508 -0.000954 0.062089 0.065814 0.006905 -0.010175 29O 1f0 0.000039 -0.000560 0.000858 0.000382 0.002130 -0.000790 29O 1f+1 0.000213 -0.001240 -0.001173 0.001111 -0.002105 -0.000631 29O 1f-1 0.000007 -0.001428 0.000519 0.001797 0.000316 -0.001423 29O 1f+2 -0.000422 0.001216 0.000336 -0.001087 -0.000882 0.001473 29O 1f-2 -0.000977 0.001535 0.001671 -0.001707 0.002087 0.000907 29O 1f+3 0.000575 -0.000355 -0.001230 0.001394 -0.001234 -0.000129 29O 1f-3 -0.000847 -0.000007 0.000840 0.001625 0.000500 -0.000661 30O 1s 0.007563 -0.008506 0.000457 0.007972 -0.013020 0.002727 30O 2s 0.015113 -0.018742 -0.000671 0.017559 -0.025312 0.007084 30O 3s 0.034816 -0.008338 0.030543 0.010341 -0.080661 -0.018451 30O 4s -0.599120 0.508638 -0.166250 -0.413834 0.996076 -0.092060 30O 5s 2.540381 -1.972784 0.640173 0.719591 -2.285925 0.801114 30O 1pz -0.005537 -0.003636 0.036651 -0.048484 -0.008546 0.031902 30O 1px 0.002133 0.015438 0.019673 0.012405 0.030962 0.003162 30O 1py 0.009924 0.004972 -0.022494 0.055030 0.010126 0.025164 30O 2pz -0.026983 0.051803 0.093742 -0.098327 0.058417 0.103490 30O 2px 0.040429 -0.018335 0.005998 -0.020649 0.096790 0.070110 30O 2py 0.057557 0.030484 -0.075058 0.108475 -0.064612 0.006586 30O 3pz -0.632280 0.053187 -0.687406 0.496683 -0.111085 -0.425688 30O 3px 0.653062 -0.563304 0.251914 0.223303 -0.665722 0.332984 30O 3py 0.252197 -0.667478 0.913893 -0.504105 0.509469 0.604892 30O 1dz2 -0.001884 -0.002011 0.001045 0.001779 0.003559 0.005933 30O 1dxz 0.004589 -0.002058 0.001599 0.001059 -0.002950 -0.000693 30O 1dyz 0.008207 -0.004167 0.002148 0.000235 -0.000228 -0.001303 30O 1dx2y2 0.000377 -0.001080 -0.000947 -0.002626 0.003034 -0.000510 30O 1dxy -0.001846 0.003346 -0.004061 0.000929 0.001632 -0.005472 30O 2dz2 0.001589 -0.006247 -0.000288 0.038633 0.014267 -0.029628 30O 2dxz 0.000768 0.002382 -0.031521 0.034342 0.012881 -0.049396 30O 2dyz 0.013646 0.020141 0.053620 -0.024941 -0.070311 -0.017732 30O 2dx2y2 -0.006922 -0.009694 -0.016612 0.013018 -0.006036 0.001528 30O 2dxy 0.015519 0.004162 0.020620 0.002643 -0.011774 -0.005890 30O 1f0 -0.000420 0.000377 -0.000454 -0.001007 -0.003320 0.003102 30O 1f+1 0.000262 -0.001115 -0.001173 -0.000116 -0.000253 -0.003024 30O 1f-1 -0.000193 -0.000596 -0.001142 -0.001070 -0.002255 -0.002327 30O 1f+2 -0.001438 0.001288 -0.000413 -0.001089 -0.001204 -0.001966 30O 1f-2 -0.000572 0.002167 0.001147 0.000672 0.000501 -0.002866 30O 1f+3 0.001775 0.000871 0.002066 -0.003719 -0.000152 0.001356 30O 1f-3 -0.000224 0.002366 0.000160 0.000525 -0.000142 -0.003283 31O 1s -0.007640 0.008533 0.000930 -0.007530 -0.013296 -0.002363 31O 2s -0.015185 0.018793 0.000356 -0.016863 -0.025986 -0.006330 31O 3s -0.036890 0.008561 0.031243 -0.004621 -0.079682 0.019959 31O 4s 0.608159 -0.511010 -0.190583 0.366877 1.004712 0.065176 31O 5s -2.545881 1.979531 0.678755 -0.605305 -2.312964 -0.733174 31O 1pz -0.003369 -0.003679 -0.032304 -0.052126 0.007007 0.033248 31O 1px 0.001516 0.015780 -0.020829 0.012359 -0.030192 0.004156 31O 1py 0.008581 0.004537 0.019557 0.057236 -0.007625 0.023584 31O 2pz -0.019418 0.050995 -0.083076 -0.105440 -0.060239 0.108458 31O 2px 0.035960 -0.017575 -0.004538 -0.016413 -0.094966 0.069385 31O 2py 0.052060 0.029759 0.066705 0.112386 0.068034 -0.000524 31O 3pz -0.666175 0.052454 0.638302 0.554421 0.117151 -0.462261 31O 3px 0.660094 -0.568324 -0.270404 0.185131 0.676180 0.321280 31O 3py 0.295202 -0.671566 -0.864999 -0.555225 -0.509717 0.664580 31O 1dz2 0.001829 0.002076 0.001173 -0.001880 0.003383 -0.005928 31O 1dxz -0.004715 0.002030 0.001686 -0.000798 -0.002991 0.000649 31O 1dyz -0.007954 0.004117 0.002137 -0.000149 -0.000183 0.001265 31O 1dx2y2 -0.000346 0.001103 -0.001159 0.002437 0.003130 0.000464 31O 1dxy 0.002152 -0.003423 -0.003908 -0.001308 0.001706 0.005548 31O 2dz2 -0.001933 0.006671 0.003081 -0.039282 0.012750 0.028853 31O 2dxz -0.002106 -0.002063 -0.029029 -0.036416 0.012282 0.050537 31O 2dyz -0.014841 -0.020356 0.051925 0.031800 -0.067832 0.016293 31O 2dx2y2 0.006231 0.010268 -0.016150 -0.013922 -0.007455 -0.000129 31O 2dxy -0.015196 -0.004336 0.021568 -0.000833 -0.012062 0.004800 31O 1f0 -0.000493 0.000347 0.000561 -0.001123 0.003340 0.002972 31O 1f+1 0.000199 -0.001089 0.001133 -0.000023 0.000219 -0.002989 31O 1f-1 -0.000206 -0.000562 0.001181 -0.001066 0.002171 -0.002345 31O 1f+2 -0.001240 0.001246 0.000523 -0.001134 0.001136 -0.001951 31O 1f-2 -0.000471 0.002195 -0.001199 0.000559 -0.000565 -0.002786 31O 1f+3 0.001794 0.000875 -0.001725 -0.003835 0.000020 0.001480 31O 1f-3 -0.000084 0.002365 -0.000193 0.000489 0.000089 -0.003237 32O 1s 0.002356 -0.005247 -0.001912 -0.002771 -0.004804 -0.003523 32O 2s 0.006522 -0.011806 -0.003153 -0.008088 -0.006751 -0.008544 32O 3s -0.022198 -0.001641 -0.020170 0.033228 -0.072273 0.010057 32O 4s 0.018675 0.244387 0.203400 -0.062779 0.615815 0.103524 32O 5s -0.085345 -0.588328 -0.535044 0.171627 -1.543674 -0.259971 32O 1pz 0.002902 -0.022038 0.009689 -0.021304 0.001207 -0.003110 32O 1px -0.035121 0.025763 -0.012788 0.031946 -0.016499 0.016881 32O 1py -0.019642 0.001509 -0.009868 -0.001613 -0.000483 -0.011065 32O 2pz 0.016717 -0.025056 -0.010599 0.022561 -0.048986 -0.023293 32O 2px -0.030202 0.057394 0.029415 0.013710 0.118540 0.011563 32O 2py 0.006987 -0.001917 -0.002125 -0.020526 -0.031946 -0.011789 32O 3pz -0.021669 -0.052818 0.194398 0.036363 0.207523 0.031812 32O 3px 0.160165 -0.319167 -0.097679 0.040146 -0.574825 -0.117195 32O 3py -0.106082 -0.052342 -0.085664 0.124640 -0.108065 0.035009 32O 1dz2 0.000827 0.001116 0.002267 -0.000939 0.001196 -0.000068 32O 1dxz 0.000063 0.001337 0.000485 -0.000836 0.000910 0.000709 32O 1dyz -0.000495 0.000399 -0.001567 0.000123 -0.000160 0.000156 32O 1dx2y2 0.001341 -0.000373 0.000670 -0.001732 0.003181 -0.000448 32O 1dxy 0.000463 0.000084 -0.000432 -0.000422 -0.000549 0.000344 32O 2dz2 0.025995 -0.029091 0.050452 0.002749 0.019467 -0.015205 32O 2dxz -0.005375 0.058937 -0.034672 -0.042259 -0.061814 0.046826 32O 2dyz -0.029003 0.010669 -0.043475 0.024775 -0.020051 0.006774 32O 2dx2y2 0.024400 0.006385 0.020778 -0.078199 0.101021 -0.008296 32O 2dxy 0.054219 0.000001 0.068598 -0.062864 0.005584 0.006657 32O 1f0 0.000022 -0.000452 -0.000859 0.000367 -0.002089 -0.000603 32O 1f+1 0.000157 -0.001270 0.001126 0.001125 0.002265 -0.000696 32O 1f-1 -0.000050 -0.001369 -0.000777 0.001739 -0.000357 -0.001298 32O 1f+2 -0.000330 0.001191 -0.000205 -0.001212 0.000866 0.001423 32O 1f-2 -0.000924 0.001597 -0.001513 -0.001716 -0.002089 0.001024 32O 1f+3 0.000529 -0.000361 0.001125 0.001332 0.001260 -0.000164 32O 1f-3 -0.000898 -0.000011 -0.000996 0.001643 -0.000494 -0.000645 33O 1s 0.007271 0.007742 -0.001437 0.012657 -0.008145 0.002378 33O 2s 0.016289 0.016086 -0.002496 0.026614 -0.015589 0.005486 33O 3s -0.001654 0.026168 -0.016034 0.033387 -0.053665 0.002830 33O 4s -0.416344 -0.561498 0.145921 -0.839374 0.676032 -0.150799 33O 5s 1.969751 2.208075 -0.326736 2.742132 -1.718220 0.470500 33O 1pz 0.031166 0.005985 -0.003011 0.015293 -0.012087 -0.028231 33O 1px -0.001571 0.007937 0.011458 -0.035123 -0.018255 0.009676 33O 1py 0.024004 0.003704 -0.002248 0.016056 -0.005032 0.012835 33O 2pz 0.064804 0.043559 -0.029518 0.127724 -0.134070 -0.084462 33O 2px -0.049836 -0.009490 0.017854 -0.101921 -0.004440 0.000338 33O 2py 0.056971 -0.033583 0.000818 0.065055 -0.053475 0.031153 33O 3pz 0.715235 0.405574 0.134043 -0.489966 0.795578 0.262242 33O 3px -0.688384 -0.722503 -0.225013 -0.589485 0.356514 -0.021846 33O 3py -0.306269 0.326392 0.530709 -0.241856 0.443071 0.091369 33O 1dz2 -0.003286 -0.002409 0.003883 0.000275 -0.000944 0.000526 33O 1dxz 0.005009 0.004640 0.000915 0.002988 -0.000146 0.000623 33O 1dyz -0.000216 -0.004535 -0.004521 -0.005802 -0.000524 -0.003358 33O 1dx2y2 -0.003819 -0.001495 0.000071 -0.003173 0.000612 0.000883 33O 1dxy -0.002453 0.001646 0.004196 0.001126 0.000087 0.003178 33O 2dz2 -0.020789 0.004024 0.042955 0.031658 0.015430 0.010728 33O 2dxz -0.029309 -0.004714 0.013818 -0.040373 -0.002962 0.017622 33O 2dyz 0.023633 -0.006989 -0.041078 -0.000182 0.028898 0.001508 33O 2dx2y2 -0.001409 0.006586 0.024117 0.011759 -0.009492 0.000264 33O 2dxy -0.004570 0.004115 -0.006871 -0.014585 -0.015017 0.012171 33O 1f0 -0.002016 0.000889 -0.000961 -0.003447 0.000910 -0.001123 33O 1f+1 0.001144 -0.002300 -0.001493 -0.000092 0.000659 -0.000556 33O 1f-1 0.000667 -0.001778 -0.001377 -0.003515 -0.003110 0.000030 33O 1f+2 0.003679 0.001876 -0.001413 0.004364 -0.001655 -0.000771 33O 1f-2 0.000518 0.000144 -0.001618 0.000088 -0.000660 -0.002241 33O 1f+3 0.001541 0.001211 0.001224 0.002878 -0.002638 -0.000794 33O 1f-3 0.000759 -0.000515 -0.001639 -0.000238 -0.000963 -0.001892 34O 1s 0.004245 0.003448 -0.006961 -0.000935 -0.006697 -0.009289 34O 2s 0.008649 0.009321 -0.013637 -0.003528 -0.012214 -0.018998 34O 3s 0.020931 -0.031511 -0.042477 0.026523 -0.055956 -0.037963 34O 4s -0.271961 -0.076332 0.531708 -0.049973 0.637083 0.696820 34O 5s 0.058765 0.965902 -1.175585 -0.004247 -1.800884 -2.299772 34O 1pz 0.001936 0.048964 0.009166 0.002931 0.007944 -0.026184 34O 1px 0.008298 0.016034 0.012815 0.042971 -0.028924 -0.030977 34O 1py 0.028883 -0.008998 -0.043104 -0.047613 0.040763 0.009593 34O 2pz 0.056362 0.077198 -0.038036 -0.001031 0.013949 -0.052600 34O 2px 0.014226 0.058123 0.046017 0.023211 -0.125047 -0.083594 34O 2py 0.011167 0.019314 -0.030188 -0.123908 0.157552 0.023576 34O 3pz -0.293845 -0.246967 0.284396 -0.036452 0.540150 0.115725 34O 3px -0.730880 0.828635 -0.445740 -0.044494 0.282551 -0.514953 34O 3py 0.431529 -0.310972 0.131773 0.276324 -0.972108 -0.304126 34O 1dz2 -0.000559 0.003419 -0.001975 0.001146 -0.000006 -0.002372 34O 1dxz -0.002357 -0.000357 -0.002118 0.004636 -0.005340 0.004532 34O 1dyz 0.001952 0.000760 -0.000191 -0.000759 0.000452 -0.004566 34O 1dx2y2 0.001791 -0.003645 0.002022 0.000667 -0.001169 0.005441 34O 1dxy -0.000830 -0.000096 0.000027 0.001786 -0.000695 -0.000582 34O 2dz2 0.007317 0.011564 -0.025532 -0.005989 0.006642 0.028856 34O 2dxz 0.004694 0.004408 -0.018579 0.006553 0.004931 0.019830 34O 2dyz 0.019692 -0.028392 -0.049203 0.035987 0.024835 -0.022195 34O 2dx2y2 -0.012573 0.039021 -0.023069 -0.042016 -0.011799 0.011408 34O 2dxy -0.016760 -0.024310 -0.010534 0.031016 -0.020198 0.017091 34O 1f0 -0.000623 -0.000573 0.001008 0.001029 -0.001709 -0.002193 34O 1f+1 0.001104 -0.001770 -0.001038 0.002853 0.002201 0.001689 34O 1f-1 0.000181 0.001077 0.000028 -0.001215 -0.000425 0.001692 34O 1f+2 0.002857 -0.000730 0.000400 -0.001613 0.004175 -0.000381 34O 1f-2 0.000933 -0.000971 0.000711 -0.000632 0.001607 -0.001287 34O 1f+3 -0.000908 -0.004164 -0.000177 0.005319 0.000736 0.002571 34O 1f-3 -0.000214 -0.001574 0.001432 -0.002045 0.001075 0.000205 35O 1s 0.002083 0.002038 -0.002687 -0.003196 -0.010699 0.004658 35O 2s 0.005661 0.004925 -0.005443 -0.003767 -0.020679 0.010501 35O 3s -0.023207 -0.009348 -0.014937 -0.069375 -0.068451 0.003512 35O 4s -0.067694 -0.105989 0.151688 0.484881 0.899776 -0.230597 35O 5s 0.975320 1.296055 0.143359 -1.473556 -2.418611 0.652160 35O 1pz -0.019764 0.042537 0.027945 0.012672 -0.011992 0.036400 35O 1px -0.043325 0.020780 0.051694 -0.017961 -0.001801 0.027383 35O 1py 0.006383 -0.003523 -0.028265 -0.028625 -0.005803 0.014825 35O 2pz -0.086420 0.017520 0.047430 -0.011774 -0.106499 0.058863 35O 2px -0.017931 0.065069 0.145217 0.005888 -0.051583 0.028179 35O 2py 0.055868 -0.031022 -0.103633 -0.087847 -0.094847 -0.008208 35O 3pz 0.371213 0.259292 0.091709 0.084918 0.921265 0.007995 35O 3px 0.855032 0.954889 -0.032709 -0.189676 -0.277168 0.352478 35O 3py 0.297455 0.656224 0.069798 -0.003993 0.594804 -0.038638 35O 1dz2 0.002279 0.004191 -0.001463 -0.001980 -0.001007 -0.000216 35O 1dxz 0.000691 0.000013 -0.004244 0.000322 -0.001464 -0.002516 35O 1dyz -0.000706 -0.000735 -0.003944 0.003657 0.001139 -0.000146 35O 1dx2y2 0.001094 -0.004345 -0.005896 -0.002577 0.002496 -0.007039 35O 1dxy -0.005445 -0.002419 0.004522 0.007589 0.000702 0.001209 35O 2dz2 -0.029395 0.022105 -0.005538 -0.005856 -0.001891 0.008159 35O 2dxz 0.002523 -0.001094 -0.008314 -0.012865 0.005601 -0.014082 35O 2dyz 0.028814 -0.005435 0.015470 0.031305 0.035451 0.000254 35O 2dx2y2 0.033810 0.021556 -0.008414 0.039865 -0.009555 -0.033127 35O 2dxy 0.020132 0.018179 0.026244 0.067687 -0.007206 -0.001285 35O 1f0 0.001425 -0.000576 0.001193 -0.000600 -0.000324 0.001896 35O 1f+1 -0.004308 -0.000404 0.000281 -0.004983 0.000961 0.001864 35O 1f-1 -0.001747 0.001032 -0.000179 -0.000772 -0.001086 0.001052 35O 1f+2 -0.000861 -0.001471 0.002036 0.000022 0.001926 -0.000537 35O 1f-2 -0.000454 -0.000883 -0.001256 0.000759 -0.000272 -0.000307 35O 1f+3 -0.000201 -0.003269 -0.003434 -0.005177 0.002309 -0.000471 35O 1f-3 -0.004568 -0.000598 0.000174 -0.005705 0.002411 0.002825 276 277 278 279 280 281 1.04065 1.04442 1.06378 1.06893 1.07749 1.08331 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s -0.001024 0.002584 -0.000406 -0.000770 -0.000072 -0.000519 0Rh 2s 0.003409 -0.006625 0.002361 0.003106 0.000066 0.001670 0Rh 3s -0.003887 0.011019 -0.000919 -0.002586 -0.000377 -0.002007 0Rh 4s -0.015504 0.028787 -0.011235 -0.014353 -0.000208 -0.007501 0Rh 5s 0.007763 0.012374 0.016674 0.012668 -0.001955 0.001997 0Rh 6s 0.060920 -0.238727 -0.003350 0.034427 0.010379 0.039497 0Rh 7s -0.049580 1.193653 -0.085960 -0.158587 -0.042519 -0.149147 0Rh 8s 0.211148 0.032378 0.504956 -0.312688 -0.093383 -0.181224 0Rh 1pz -0.010476 -0.008133 -0.004680 0.001744 0.004873 0.008891 0Rh 1px -0.006352 -0.000269 -0.005893 -0.001364 0.001546 0.004065 0Rh 1py 0.009501 -0.014014 -0.011438 -0.009880 0.003775 -0.010048 0Rh 2pz 0.035592 0.027340 0.015914 -0.005652 -0.016502 -0.030574 0Rh 2px 0.021496 0.001010 0.020158 0.004627 -0.005295 -0.014076 0Rh 2py -0.032371 0.046988 0.038986 0.033554 -0.012881 0.034405 0Rh 3pz -0.014174 -0.004787 -0.006276 -0.003597 0.005154 0.019311 0Rh 3px -0.006287 -0.003113 -0.010759 -0.001611 0.002945 0.010970 0Rh 3py 0.014633 -0.005660 -0.017572 -0.012841 0.005987 -0.018676 0Rh 4pz -0.134244 -0.127798 -0.062556 0.046503 0.069440 0.085203 0Rh 4px -0.094488 0.013162 -0.064548 -0.019480 0.016593 0.029914 0Rh 4py 0.116050 -0.230577 -0.141086 -0.126911 0.045970 -0.108234 0Rh 5pz 0.170050 0.171099 0.099442 -0.094562 -0.104530 -0.033432 0Rh 5px 0.165756 -0.074385 0.065954 0.037710 -0.017510 0.013203 0Rh 5py -0.151274 0.326340 0.186326 0.115103 -0.057637 0.062060 0Rh 6pz -0.073631 -0.505914 -0.524208 0.799727 0.444974 -1.786050 0Rh 6px -1.305458 1.084151 0.203719 -0.260009 -0.010329 -1.178428 0Rh 6py 0.278130 -1.028997 -0.293884 1.227069 -0.126296 2.014290 0Rh 1dz2 -0.024931 -0.002315 -0.030079 0.014761 -0.022003 -0.031034 0Rh 1dxz -0.008095 -0.040391 -0.012872 -0.007156 -0.008221 0.048319 0Rh 1dyz 0.009106 -0.015086 0.002584 0.011977 0.029042 0.029117 0Rh 1dx2y2 0.003611 0.016167 -0.010054 -0.002719 -0.012823 0.034403 0Rh 1dxy 0.001095 0.000241 -0.001726 -0.042885 -0.000550 -0.048759 0Rh 2dz2 0.003766 -0.001228 0.005017 -0.003073 0.005595 0.007998 0Rh 2dxz 0.003656 0.008631 0.004065 0.002860 0.000611 -0.012110 0Rh 2dyz -0.002100 0.003230 -0.002772 -0.002837 -0.004962 -0.007051 0Rh 2dx2y2 0.000410 -0.001593 0.000645 -0.000809 0.002668 -0.009116 0Rh 2dxy -0.002218 0.000406 0.001192 0.010491 0.000150 0.012579 0Rh 3dz2 0.036458 0.009977 0.042561 -0.018256 0.023077 0.032053 0Rh 3dxz 0.001691 0.048852 0.010081 0.003186 0.014831 -0.051609 0Rh 3dyz -0.010085 0.018110 0.006643 -0.013408 -0.041070 -0.032249 0Rh 3dx2y2 -0.008739 -0.027299 0.018859 0.009067 0.015922 -0.034571 0Rh 3dxy 0.007056 -0.002279 -0.000850 0.046675 0.000366 0.050551 0Rh 4dz2 0.078764 -0.016436 0.095790 -0.056072 0.100496 0.141048 0Rh 4dxz 0.057369 0.153632 0.069016 0.045711 0.017767 -0.211939 0Rh 4dyz -0.042836 0.057684 -0.051430 -0.050385 -0.086284 -0.121946 0Rh 4dx2y2 -0.006776 -0.032859 0.014486 -0.008502 0.050468 -0.158202 0Rh 4dxy -0.031724 0.008488 0.008224 0.184554 0.007117 0.219735 0Rh 5dz2 -0.186096 0.143117 -0.137487 0.135445 -0.361455 -0.426729 0Rh 5dxz -0.209786 -0.297453 -0.222184 -0.153448 -0.031346 0.587301 0Rh 5dyz 0.201438 -0.114920 0.424351 0.135384 -0.001806 0.298864 0Rh 5dx2y2 0.101175 -0.089048 0.046614 0.065865 -0.153540 0.466432 0Rh 5dxy 0.162652 -0.088399 0.092892 -0.505968 -0.100857 -0.638627 0Rh 1f0 0.016392 0.011593 0.004778 0.002754 -0.009539 -0.017966 0Rh 1f+1 0.010996 0.025119 0.006058 0.000716 -0.005770 -0.025870 0Rh 1f-1 -0.000053 0.006301 0.012244 -0.006572 -0.007152 0.000256 0Rh 1f+2 -0.017019 0.003706 -0.014385 -0.011575 0.004495 -0.001374 0Rh 1f-2 -0.020304 0.007967 0.001301 0.002950 0.007641 0.018071 0Rh 1f+3 0.006454 0.002782 -0.005725 -0.015995 -0.002665 -0.019760 0Rh 1f-3 -0.020359 0.016567 0.023153 0.019791 -0.010736 0.016558 1Rh 1s 0.001020 0.002615 0.000273 -0.000785 0.000137 -0.000511 1Rh 2s -0.003411 -0.006757 -0.001926 0.003197 -0.000306 0.001629 1Rh 3s 0.003862 0.011114 0.000409 -0.002620 0.000615 -0.001983 1Rh 4s 0.015526 0.029400 0.009268 -0.014785 0.001305 -0.007305 1Rh 5s -0.007994 0.011757 -0.015926 0.013313 0.001252 0.001761 1Rh 6s -0.059986 -0.239866 0.012457 0.034280 -0.014165 0.039295 1Rh 7s 0.045404 1.197382 0.037112 -0.162364 0.063337 -0.145142 1Rh 8s -0.207813 0.024808 -0.514020 -0.291855 0.085898 -0.198106 1Rh 1pz -0.010179 0.008198 -0.004944 -0.001632 0.004867 -0.008892 1Rh 1px -0.006313 0.000189 -0.005775 0.001556 0.001476 -0.004085 1Rh 1py 0.009659 0.013513 -0.011573 0.010347 0.003753 0.009923 1Rh 2pz 0.034597 -0.027560 0.016777 0.005278 -0.016494 0.030578 1Rh 2px 0.021364 -0.000742 0.019759 -0.005285 -0.005060 0.014149 1Rh 2py -0.032904 -0.045281 0.039418 -0.035142 -0.012817 -0.033982 1Rh 3pz -0.014085 0.004848 -0.005824 0.003557 0.005385 -0.019276 1Rh 3px -0.006247 0.003066 -0.010683 0.001946 0.002904 -0.011058 1Rh 3py 0.014816 0.004841 -0.017152 0.013486 0.006248 0.018525 1Rh 4pz -0.129257 0.128699 -0.069180 -0.044230 0.068491 -0.085358 1Rh 4px -0.093908 -0.014492 -0.062514 0.021669 0.015423 -0.029965 1Rh 4py 0.118222 0.224603 -0.145250 0.132951 0.044495 0.106517 1Rh 5pz 0.162762 -0.172119 0.111849 0.090213 -0.102678 0.033616 1Rh 5px 0.164673 0.076983 0.061515 -0.040071 -0.015435 -0.013304 1Rh 5py -0.154147 -0.318353 0.195150 -0.123165 -0.054141 -0.059556 1Rh 6pz -0.038025 0.510203 -0.612708 -0.763535 0.435317 1.788254 1Rh 6px -1.290376 -1.108450 0.237859 0.257503 -0.022767 1.181747 1Rh 6py 0.280921 1.010262 -0.388577 -1.219004 -0.153586 -2.022302 1Rh 1dz2 0.025184 -0.001007 0.031463 0.013357 0.021843 -0.030763 1Rh 1dxz 0.007706 -0.040224 0.012384 -0.007677 0.007818 0.048362 1Rh 1dyz -0.009520 -0.014733 -0.001762 0.012168 -0.028694 0.029287 1Rh 1dx2y2 -0.004066 0.016259 0.008915 -0.003201 0.013365 0.034287 1Rh 1dxy -0.001316 0.000002 0.000171 -0.042938 -0.000499 -0.048659 1Rh 2dz2 -0.003869 -0.001498 -0.005294 -0.002816 -0.005573 0.007936 1Rh 2dxz -0.003553 0.008631 -0.003866 0.003003 -0.000531 -0.012120 1Rh 2dyz 0.002112 0.003214 0.002630 -0.002956 0.004876 -0.007066 1Rh 2dx2y2 -0.000336 -0.001535 -0.000505 -0.000767 -0.002768 -0.009069 1Rh 2dxy 0.002216 0.000429 -0.000802 0.010529 0.000130 0.012551 1Rh 3dz2 -0.036554 0.008358 -0.044317 -0.016363 -0.022831 0.031741 1Rh 3dxz -0.001306 0.048513 -0.009881 0.003685 -0.014311 -0.051652 1Rh 3dyz 0.010919 0.017425 -0.007775 -0.013296 0.040692 -0.032547 1Rh 3dx2y2 0.009388 -0.027750 -0.017046 0.009923 -0.016646 -0.034532 1Rh 3dxy -0.006582 -0.001891 0.002506 0.046645 0.000685 0.050451 1Rh 4dz2 -0.080468 -0.021305 -0.100849 -0.051294 -0.100066 0.139942 1Rh 4dxz -0.055547 0.153269 -0.065774 0.048245 -0.016325 -0.212201 1Rh 4dyz 0.043164 0.057455 0.048689 -0.052604 0.084774 -0.122261 1Rh 4dx2y2 0.008153 -0.032040 -0.011582 -0.007590 -0.052335 -0.157373 1Rh 4dxy 0.031841 0.009367 -0.001505 0.184784 -0.002327 0.219360 1Rh 5dz2 0.192806 0.153653 0.147549 0.127283 0.361422 -0.424184 1Rh 5dxz 0.204074 -0.294851 0.209127 -0.161514 0.028790 0.588724 1Rh 5dyz -0.195259 -0.122078 -0.419583 0.152235 0.006285 0.297551 1Rh 5dx2y2 -0.102231 -0.095405 -0.047702 0.066570 0.156442 0.462804 1Rh 5dxy -0.159736 -0.094521 -0.110254 -0.502141 0.087263 -0.638775 1Rh 1f0 0.016009 -0.011579 0.004475 -0.002818 -0.009010 0.018046 1Rh 1f+1 0.010583 -0.025402 0.006149 -0.000795 -0.005828 0.025744 1Rh 1f-1 -0.000379 -0.005635 0.013076 0.005946 -0.007019 -0.000159 1Rh 1f+2 -0.016903 -0.004271 -0.013598 0.012206 0.004387 0.001258 1Rh 1f-2 -0.020101 -0.007484 0.001762 -0.002906 0.007539 -0.017989 1Rh 1f+3 0.006403 -0.003342 -0.005007 0.016168 -0.002858 0.019565 1Rh 1f-3 -0.020569 -0.016092 0.022952 -0.020735 -0.011349 -0.016362 2C 1s 0.001746 -0.003596 0.002496 0.001651 -0.001817 -0.000124 2C 2s 0.002640 -0.008950 0.002812 0.002988 -0.002605 -0.000001 2C 3s 0.056945 -0.007508 0.117814 0.030633 -0.060582 -0.010102 2C 4s -0.405944 0.286456 -0.796008 -0.240941 0.446499 0.051664 2C 5s 0.933454 3.292815 2.314349 -0.736268 -1.681480 -0.660660 2C 1pz -0.006639 0.012754 -0.004359 -0.011607 0.045013 -0.021523 2C 1px 0.009255 0.013100 -0.004038 -0.010270 -0.013902 0.010361 2C 1py -0.040147 0.066111 -0.067347 -0.028921 -0.025981 0.026447 2C 2pz -0.383557 -0.040344 -0.395828 0.052759 0.581569 -0.072581 2C 2px -0.025520 0.323257 0.185121 -0.025147 -0.226619 0.024959 2C 2py -0.086851 0.318777 -0.673253 -0.506080 -0.088413 0.233289 2C 3pz 0.213914 0.634766 0.487335 -0.320856 -0.064795 -0.252939 2C 3px 0.133254 0.652898 0.011307 -0.268699 -0.138738 0.057671 2C 3py -0.145879 0.677696 -0.109833 0.030637 -0.405453 0.143889 2C 1dz2 -0.008036 -0.004070 0.005243 0.004566 -0.002067 0.001658 2C 1dxz -0.002656 0.005691 -0.003502 -0.002047 -0.000754 0.001092 2C 1dyz 0.007602 0.000143 0.002706 -0.001967 -0.004671 -0.000705 2C 1dx2y2 -0.005970 0.005426 0.000786 -0.002047 -0.004479 0.001110 2C 1dxy -0.001172 -0.000625 0.005834 0.005186 0.004730 -0.000011 2C 2dz2 0.201098 0.127645 -0.363350 -0.463920 0.006719 0.076209 2C 2dxz 0.133061 -0.101232 -0.759928 -0.416469 0.124645 0.163042 2C 2dyz -0.389601 0.225680 -0.239075 0.013734 0.063314 0.099125 2C 2dx2y2 0.396043 0.375311 -0.058233 -0.441721 -0.528094 0.185733 2C 2dxy -0.214419 -0.353121 0.301760 0.435593 0.566741 -0.261603 2C 1f0 0.020265 0.022090 -0.023655 -0.031317 -0.030414 0.015858 2C 1f+1 -0.004984 -0.002288 0.016253 0.010924 0.008529 -0.006753 2C 1f-1 -0.012061 -0.004228 -0.016448 0.002426 0.023018 -0.003555 2C 1f+2 0.009035 -0.010801 -0.008573 -0.003521 0.006780 -0.000514 2C 1f-2 0.007802 0.003776 -0.014991 -0.012870 -0.008568 0.006010 2C 1f+3 0.003391 0.010633 -0.028567 -0.023682 -0.012199 0.013522 2C 1f-3 -0.008449 0.009370 0.014367 0.004886 -0.005569 -0.000564 3C 1s 0.004753 -0.000486 -0.001810 0.001532 -0.000275 0.000844 3C 2s 0.006750 -0.002835 -0.002457 0.002568 -0.001118 0.001917 3C 3s 0.157244 0.085635 -0.077923 0.032782 0.018777 0.024396 3C 4s -1.070839 -0.384417 0.519941 -0.243045 -0.075305 -0.176795 3C 5s 2.638509 2.113110 -1.504620 -0.836814 -0.371312 -0.388822 3C 1pz -0.034775 -0.024903 0.048199 -0.007551 -0.000018 -0.010956 3C 1px 0.041421 -0.066172 0.017567 -0.023515 0.044536 -0.024688 3C 1py 0.063278 -0.038695 0.002776 0.011178 0.034402 0.002018 3C 2pz -0.580708 -0.242249 0.283836 -0.384091 0.084007 -0.032602 3C 2px -0.182263 -0.491215 -0.011290 -0.237263 0.441582 -0.072686 3C 2py 0.833254 0.093575 -0.376617 -0.008024 0.254440 0.115501 3C 3pz 0.100009 -0.044327 -0.022870 0.241796 0.062645 -0.132829 3C 3px 0.730170 -0.331898 0.294486 -0.273467 0.226791 -0.196159 3C 3py -0.173787 -0.700964 0.414118 0.406113 0.345278 0.039987 3C 1dz2 -0.004924 -0.000005 -0.007268 -0.005637 0.006213 0.001083 3C 1dxz -0.001967 0.005866 -0.002566 0.002220 -0.006472 0.000054 3C 1dyz -0.004163 -0.001318 0.007587 -0.001091 -0.003643 -0.001535 3C 1dx2y2 -0.004142 -0.000368 -0.001906 -0.001429 0.000306 0.001697 3C 1dxy -0.004768 0.005518 -0.001340 0.003259 -0.001183 -0.001387 3C 2dz2 0.209021 -0.201945 0.100414 0.175153 0.144964 -0.056689 3C 2dxz -0.393392 0.512976 0.285500 0.378750 -0.719146 -0.007656 3C 2dyz 0.312134 0.287901 -0.243254 -0.256985 0.047555 0.127591 3C 2dx2y2 0.635813 0.294674 0.025646 0.546256 -0.325320 -0.044528 3C 2dxy 0.272703 0.262670 -0.283324 0.276381 -0.108004 0.044061 3C 1f0 0.026637 0.020947 -0.007668 0.025836 -0.019319 0.001696 3C 1f+1 0.014658 -0.014340 0.000125 0.004175 0.011732 -0.002368 3C 1f-1 0.005019 -0.008991 -0.013537 -0.019757 0.023372 0.004128 3C 1f+2 0.006121 -0.002948 -0.007190 -0.001017 0.009716 0.004881 3C 1f-2 -0.000687 0.012398 -0.002018 -0.001627 -0.008975 0.001559 3C 1f+3 -0.018941 0.013443 0.006823 0.014180 -0.025205 -0.001518 3C 1f-3 0.000808 0.019985 -0.000943 0.006155 -0.016595 0.003579 4C 1s 0.002558 0.003881 0.005968 -0.004399 -0.003811 0.001310 4C 2s 0.009211 0.010383 0.020684 -0.010456 -0.012534 0.003150 4C 3s -0.212362 -0.047944 -0.425474 -0.032480 0.256930 -0.000941 4C 4s 1.106280 0.210482 2.220629 0.478018 -1.288742 -0.132935 4C 5s -0.646335 -1.994466 -1.051398 1.064418 0.766278 0.187519 4C 1pz -0.069999 0.000397 -0.091869 0.027805 0.094889 -0.018755 4C 1px 0.001296 -0.023253 0.049402 -0.028878 -0.060130 0.019394 4C 1py 0.006783 0.022595 -0.082987 -0.058025 0.006719 0.014309 4C 2pz -0.319994 0.228239 -0.251577 -0.022176 0.202901 0.023961 4C 2px 0.015846 -0.106674 -0.191506 -0.201339 0.040189 0.158398 4C 2py -0.038176 0.077152 -0.268787 -0.169663 0.120388 0.068513 4C 3pz 0.335678 2.527762 1.174940 0.062677 -0.953200 -0.512309 4C 3px -0.160971 -0.646145 -0.248690 0.165761 0.138480 -0.096779 4C 3py 0.418857 1.365755 0.723709 -0.744137 -0.524841 -0.358865 4C 1dz2 -0.006736 -0.000806 -0.004917 -0.000666 -0.000709 0.004361 4C 1dxz -0.004498 -0.002905 -0.011979 0.003843 0.011714 -0.004502 4C 1dyz 0.001769 0.002422 0.001839 -0.002109 0.000385 0.000001 4C 1dx2y2 0.004321 0.002114 0.015658 0.005129 -0.004459 -0.003162 4C 1dxy -0.000373 0.000844 0.000491 0.005875 -0.002434 0.002348 4C 2dz2 0.404432 -0.032991 -0.050748 -0.167782 -0.201752 0.074935 4C 2dxz 0.242930 -0.039886 0.140390 -0.114170 0.065197 -0.142793 4C 2dyz -0.071910 -0.163198 0.415213 0.311583 0.022651 -0.192032 4C 2dx2y2 0.220156 -0.070003 -0.041902 -0.072176 0.187499 -0.172037 4C 2dxy 0.018739 0.009859 -0.262405 -0.061509 -0.352646 0.367238 4C 1f0 -0.013633 -0.005897 -0.006824 0.005575 0.011185 0.001469 4C 1f+1 -0.012757 0.002831 -0.008460 -0.004515 0.010228 -0.004144 4C 1f-1 -0.013712 -0.002939 -0.021773 -0.001747 0.018695 -0.003354 4C 1f+2 0.005107 0.002456 0.027197 0.009945 -0.011860 -0.005161 4C 1f-2 -0.001750 0.001351 -0.007499 -0.007577 -0.002188 0.008415 4C 1f+3 -0.003639 0.003375 -0.000461 0.000486 -0.003837 0.005432 4C 1f-3 -0.002337 0.003656 -0.014048 -0.000568 0.006104 -0.001597 5C 1s 0.009666 0.001326 -0.004490 -0.004383 -0.004112 -0.000079 5C 2s 0.032389 0.006735 -0.014570 -0.010606 -0.010457 0.000425 5C 3s -0.644665 -0.163376 0.275394 -0.018332 0.040546 -0.040514 5C 4s 3.205810 1.007469 -1.288060 0.446219 0.105024 0.202758 5C 5s -1.653360 -1.164590 0.820514 1.137243 0.800737 0.615039 5C 1pz -0.099607 -0.013648 0.052704 -0.050635 0.002157 -0.023389 5C 1px -0.056322 -0.057640 -0.059335 0.013335 0.099826 0.068897 5C 1py 0.131234 -0.000009 -0.079136 -0.006132 0.021380 0.021217 5C 2pz -0.358588 -0.093090 0.133080 -0.179276 0.007710 -0.181006 5C 2px -0.192744 -0.200345 -0.071683 0.068687 0.090328 0.431550 5C 2py 0.548578 0.248996 -0.362701 0.114502 0.061695 0.197139 5C 3pz 0.924780 1.020768 -0.481810 -0.900394 -0.121346 -0.015174 5C 3px -0.041166 0.921401 -0.656932 0.145705 -0.189779 0.270676 5C 3py -1.514024 -1.286945 0.634579 -0.019618 0.071527 0.208260 5C 1dz2 -0.013076 -0.001069 -0.000387 -0.005288 -0.000632 0.005157 5C 1dxz -0.009177 -0.005811 0.008186 -0.003396 0.000349 -0.006582 5C 1dyz -0.003661 0.004593 0.002618 -0.000694 -0.001635 -0.003346 5C 1dx2y2 0.017440 0.010609 -0.004446 -0.000306 -0.003426 -0.005167 5C 1dxy 0.008665 -0.003235 -0.003424 0.003721 0.008494 0.009494 5C 2dz2 -0.027001 0.142857 0.213655 0.168632 -0.388435 -0.082415 5C 2dxz 0.385606 -0.235397 0.134659 0.118448 0.279445 -0.022091 5C 2dyz -0.348847 -0.088822 -0.040953 -0.268057 0.059038 0.012658 5C 2dx2y2 -0.140460 -0.239124 0.237319 0.133935 0.009055 -0.035057 5C 2dxy -0.081603 -0.246990 0.268656 -0.055807 0.171072 -0.179212 5C 1f0 0.009009 0.009727 -0.011748 0.003312 -0.001470 0.009101 5C 1f+1 -0.012257 -0.002012 0.007670 -0.003418 0.003357 -0.010492 5C 1f-1 0.007987 -0.001079 0.001118 0.006858 -0.000463 0.004689 5C 1f+2 0.030590 0.003146 -0.008200 0.003460 0.004254 -0.000161 5C 1f-2 0.032260 0.014172 -0.007830 0.001816 -0.009395 -0.011932 5C 1f+3 -0.029968 -0.010476 0.017406 -0.005496 0.000293 -0.005217 5C 1f-3 0.025643 -0.004984 -0.015760 -0.000375 0.009082 0.007191 6C 1s -0.009640 0.001632 0.004251 -0.004527 0.004253 0.000027 6C 2s -0.032366 0.007725 0.013923 -0.011112 0.010796 0.000734 6C 3s 0.647839 -0.181673 -0.274110 -0.005452 -0.038937 -0.044406 6C 4s -3.219633 1.091935 1.291857 0.380387 -0.122761 0.218196 6C 5s 1.654669 -1.208318 -0.759411 1.144206 -0.825131 0.596877 6C 1pz -0.098624 0.018567 0.053968 0.048712 0.002498 0.024319 6C 1px -0.055297 0.055800 -0.060196 -0.011377 0.097906 -0.069801 6C 1py 0.131732 -0.003441 -0.078499 0.009918 0.021885 -0.022536 6C 2pz -0.357088 0.100510 0.134193 0.171739 0.003290 0.183673 6C 2px -0.189783 0.207980 -0.073297 -0.067071 0.079875 -0.432507 6C 2py 0.543205 -0.262910 -0.357607 -0.098868 0.070425 -0.200625 6C 3pz 0.926392 -1.043686 -0.424672 0.929866 -0.131302 0.009900 6C 3px -0.033385 -0.949210 -0.625877 -0.120984 -0.190718 -0.280448 6C 3py -1.536187 1.331673 0.611482 -0.019108 0.084268 -0.197152 6C 1dz2 0.013125 -0.001322 0.000032 -0.005296 0.000631 0.005111 6C 1dxz 0.009156 -0.006341 -0.008106 -0.003018 -0.000326 -0.006682 6C 1dyz 0.003570 0.004412 -0.002756 -0.000522 0.001534 -0.003398 6C 1dx2y2 -0.017518 0.010937 0.004220 -0.000590 0.003328 -0.005102 6C 1dxy -0.008763 -0.002940 0.003628 0.003579 -0.008287 0.009559 6C 2dz2 0.030470 0.146901 -0.212808 0.176665 0.386099 -0.083472 6C 2dxz -0.392017 -0.238492 -0.123158 0.121814 -0.274439 -0.019268 6C 2dyz 0.352249 -0.096197 0.032013 -0.265031 -0.052154 0.012169 6C 2dx2y2 0.137861 -0.244472 -0.224034 0.141199 -0.007004 -0.036580 6C 2dxy 0.077450 -0.260543 -0.260436 -0.046352 -0.167187 -0.181533 6C 1f0 0.008825 -0.010036 -0.011394 -0.002817 -0.001381 -0.009229 6C 1f+1 -0.012311 0.002551 0.007752 0.003035 0.003309 0.010542 6C 1f-1 0.007907 0.000771 0.000822 -0.006861 -0.000607 -0.004758 6C 1f+2 0.030613 -0.003922 -0.008274 -0.003006 0.004258 -0.000052 6C 1f-2 0.032413 -0.015198 -0.007830 -0.001348 -0.008971 0.011836 6C 1f+3 -0.030276 0.011195 0.017535 0.004632 0.000044 0.005358 6C 1f-3 0.026065 0.004261 -0.015988 0.001173 0.009035 -0.007384 7C 1s -0.002662 0.004019 -0.006398 -0.004121 0.004007 0.001295 7C 2s -0.009486 0.010663 -0.021714 -0.009560 0.013017 0.003098 7C 3s 0.212507 -0.046255 0.424027 -0.046726 -0.255928 0.000236 7C 4s -1.114572 0.179961 -2.182790 0.543220 1.278223 -0.138460 7C 5s 0.670525 -2.042608 1.192169 1.008035 -0.811837 0.188980 7C 1pz -0.070452 -0.001462 -0.092053 -0.025269 0.093787 0.018515 7C 1px 0.001865 0.028085 0.050743 0.026727 -0.059166 -0.018146 7C 1py 0.004830 -0.023256 -0.079167 0.061276 0.006713 -0.014941 7C 2pz -0.327334 -0.228116 -0.234549 0.026477 0.191546 -0.023045 7C 2px 0.015808 0.108338 -0.174327 0.207187 0.045453 -0.158837 7C 2py -0.042650 -0.081122 -0.249947 0.176853 0.117449 -0.069465 7C 3pz 0.347536 -2.534212 1.254757 -0.085737 -1.001375 0.517548 7C 3px -0.147136 0.649569 -0.290200 -0.144296 0.120770 0.081099 7C 3py 0.434851 -1.372839 0.805112 0.720721 -0.557220 0.358589 7C 1dz2 0.006775 -0.000866 0.004723 -0.000852 0.000621 0.004329 7C 1dxz 0.004486 -0.002500 0.012214 0.003456 -0.011517 -0.004432 7C 1dyz -0.001877 0.002534 -0.002070 -0.002010 -0.000347 -0.000015 7C 1dx2y2 -0.004539 0.001942 -0.015386 0.005561 0.004571 -0.003192 7C 1dxy 0.000363 0.000874 -0.000082 0.005763 0.002562 0.002409 7C 2dz2 -0.403671 -0.022649 0.051223 -0.174524 0.197750 0.079233 7C 2dxz -0.249536 -0.040444 -0.149295 -0.106413 -0.067981 -0.144754 7C 2dyz 0.067231 -0.171906 -0.390074 0.325775 -0.026901 -0.195007 7C 2dx2y2 -0.222141 -0.062258 0.033605 -0.070140 -0.188597 -0.172002 7C 2dxy -0.009745 0.008117 0.263086 -0.079083 0.343108 0.368774 7C 1f0 -0.013308 0.005863 -0.007139 -0.005426 0.010820 -0.001485 7C 1f+1 -0.012345 -0.002431 -0.008016 0.004617 0.010141 0.004292 7C 1f-1 -0.013895 0.002848 -0.021490 0.002188 0.018344 0.003326 7C 1f+2 0.005118 -0.002045 0.026733 -0.010924 -0.011763 0.005388 7C 1f-2 -0.001935 -0.001127 -0.006669 0.007731 -0.001939 -0.008306 7C 1f+3 -0.003835 -0.003111 -0.000383 -0.000465 -0.003861 -0.005352 7C 1f-3 -0.002169 -0.003811 -0.014267 0.001190 0.005818 0.001474 8C 1s -0.004795 -0.000342 0.001925 0.001429 0.000161 0.000868 8C 2s -0.006897 -0.002593 0.002753 0.002418 0.000882 0.001951 8C 3s -0.156342 0.089399 0.075864 0.029222 -0.019702 0.025351 8C 4s 1.067283 -0.413164 -0.516195 -0.218349 0.086630 -0.183567 8C 5s -2.642622 2.198095 1.429148 -0.903620 0.391125 -0.364162 8C 1pz -0.032466 0.029048 0.048438 0.006286 0.000294 0.011260 8C 1px 0.042580 0.066390 0.017114 0.022890 0.042702 0.023969 8C 1py 0.064989 0.039526 0.001075 -0.010561 0.035903 -0.002070 8C 2pz -0.569735 0.277045 0.295275 0.371658 0.084568 0.037607 8C 2px -0.179485 0.495346 -0.014112 0.238035 0.428963 0.069868 8C 2py 0.840036 -0.104955 -0.371611 0.028430 0.264530 -0.120723 8C 3pz 0.113143 0.048032 -0.032918 -0.238336 0.066504 0.130820 8C 3px 0.739927 0.335647 0.290125 0.264966 0.208319 0.193803 8C 3py -0.165697 0.723048 0.380467 -0.419361 0.356233 -0.034973 8C 1dz2 0.004924 -0.000021 0.007019 -0.005804 -0.006111 0.001100 8C 1dxz 0.002036 0.005947 0.002594 0.002249 0.006426 0.000000 8C 1dyz 0.004023 -0.001618 -0.007634 -0.000804 0.003684 -0.001614 8C 1dx2y2 0.004272 -0.000399 0.001880 -0.001485 -0.000227 0.001678 8C 1dxy 0.004797 0.005658 0.001371 0.003290 0.001201 -0.001367 8C 2dz2 -0.213759 -0.197915 -0.089311 0.177981 -0.140672 -0.054514 8C 2dxz 0.398451 0.515789 -0.281603 0.399994 0.714645 -0.014870 8C 2dyz -0.318577 0.283366 0.223780 -0.264047 -0.056265 0.126741 8C 2dx2y2 -0.627436 0.318416 -0.006827 0.541476 0.317010 -0.042571 8C 2dxy -0.267029 0.288192 0.289603 0.266117 0.104900 0.046602 8C 1f0 0.026230 -0.022469 -0.008463 -0.025400 -0.018810 -0.001821 8C 1f+1 0.014170 0.013989 -0.000419 -0.003619 0.011586 0.002121 8C 1f-1 0.005407 0.009613 -0.012845 0.020455 0.023482 -0.004220 8C 1f+2 0.006244 0.002795 -0.007236 0.001522 0.009775 -0.005026 8C 1f-2 -0.000780 -0.012310 -0.001551 0.001436 -0.008829 -0.001451 8C 1f+3 -0.019516 -0.013579 0.006505 -0.014636 -0.024970 0.001680 8C 1f-3 0.000739 -0.020231 -0.000552 -0.006448 -0.016395 -0.003411 9C 1s -0.001728 -0.003620 -0.002267 0.001731 0.001690 -0.000128 9C 2s -0.002540 -0.008958 -0.002374 0.003111 0.002330 -0.000002 9C 3s -0.058073 -0.009438 -0.113377 0.034118 0.059306 -0.010407 9C 4s 0.413613 0.298224 0.758933 -0.267391 -0.433519 0.053608 9C 5s -0.988916 3.308439 -2.460223 -0.657932 1.761787 -0.665291 9C 1pz -0.005153 -0.014053 -0.002088 0.010844 0.043275 0.021454 9C 1px 0.010508 -0.009755 -0.001520 0.009902 -0.012476 -0.008807 9C 1py -0.041996 -0.066324 -0.064959 0.033302 -0.026716 -0.027097 9C 2pz -0.379765 0.036373 -0.383288 -0.049060 0.569240 0.074336 9C 2px -0.026695 -0.307518 0.206255 0.011446 -0.218260 -0.017330 9C 2py -0.101712 -0.330962 -0.637589 0.533608 -0.092163 -0.238644 9C 3pz 0.230652 -0.641257 0.529558 0.295962 -0.088870 0.252158 9C 3px 0.135446 -0.645846 0.065610 0.260783 -0.124264 -0.042236 9C 3py -0.148925 -0.693329 -0.089057 -0.010558 -0.421562 -0.145088 9C 1dz2 0.008024 -0.004360 -0.004775 0.004781 0.002086 0.001593 9C 1dxz 0.002922 0.005800 0.003314 -0.002199 0.000622 0.001117 9C 1dyz -0.007637 0.000164 -0.002742 -0.001931 0.004573 -0.000677 9C 1dx2y2 0.006068 0.005158 -0.000804 -0.002194 0.004474 0.001136 9C 1dxy 0.001095 -0.000541 -0.005751 0.005460 -0.004583 -0.000030 9C 2dz2 -0.196051 0.139319 0.327862 -0.471384 -0.004666 0.078579 9C 2dxz -0.123606 -0.083365 0.747222 -0.447567 -0.124263 0.170893 9C 2dyz 0.389146 0.220546 0.235606 -0.003342 -0.057758 0.099777 9C 2dx2y2 -0.397147 0.378221 0.042191 -0.464433 0.526756 0.192678 9C 2dxy 0.193237 -0.348366 -0.281049 0.450128 -0.548751 -0.263413 9C 1f0 0.019869 -0.022549 -0.022133 0.033080 -0.030180 -0.016305 9C 1f+1 -0.004176 0.002291 0.016126 -0.011417 0.007639 0.006810 9C 1f-1 -0.011962 0.003789 -0.016109 -0.002242 0.022529 0.003540 9C 1f+2 0.008574 0.010191 -0.008379 0.003415 0.006761 0.000378 9C 1f-2 0.007365 -0.003961 -0.014616 0.013636 -0.008182 -0.006186 9C 1f+3 0.002919 -0.010841 -0.027753 0.025099 -0.012001 -0.013850 9C 1f-3 -0.008137 -0.008871 0.013863 -0.004702 -0.005745 0.000485 10H 1s 0.006684 0.007080 0.014972 -0.005047 -0.025831 0.004903 10H 2s -0.162710 -0.667839 -0.587260 0.071293 0.753915 -0.096895 10H 3s -0.094626 -0.183265 -0.033166 0.137433 0.046438 0.012698 10H 1pz -0.007443 -0.027463 -0.052785 -0.004759 0.034731 0.001544 10H 1px 0.007003 0.044899 0.026174 -0.006754 -0.043892 0.006399 10H 1py -0.004440 -0.018623 0.002339 0.011866 0.030649 -0.011426 11H 1s 0.000446 0.015041 -0.036500 -0.014166 -0.019474 0.012151 11H 2s -0.442781 -0.175797 0.777451 0.770100 0.453449 -0.336196 11H 3s 0.131598 -0.021059 -0.342157 -0.324302 0.175482 0.045809 11H 1pz -0.039856 -0.009418 0.057859 0.053145 0.018569 -0.019411 11H 1px -0.029530 -0.011955 0.045917 0.039195 0.031889 -0.020906 11H 1py 0.007687 -0.007669 -0.017764 -0.016009 -0.007175 0.007849 12H 1s -0.000369 -0.020454 0.028976 0.032602 0.040032 -0.023442 12H 2s 0.283424 0.707538 -0.793839 -0.931149 -0.822576 0.502849 12H 3s -0.271612 -0.202902 -0.271528 0.272858 0.200548 0.108452 12H 1pz 0.010875 -0.012657 0.007115 0.000306 0.000729 -0.001898 12H 1px 0.011820 0.023269 -0.027641 -0.026444 -0.029591 0.018510 12H 1py 0.038073 0.044279 -0.050304 -0.082637 -0.064862 0.039745 13H 1s 0.029011 -0.018362 -0.008906 0.004963 0.030410 0.005984 13H 2s -0.715942 0.533782 0.304755 -0.030855 -0.608326 0.112726 13H 3s -0.347659 -0.171753 -0.071544 0.184067 0.043377 -0.019076 13H 1pz -0.039846 0.039897 0.010896 -0.005399 -0.042224 -0.000330 13H 1px 0.026782 -0.019362 -0.012296 0.005020 0.018728 -0.005478 13H 1py 0.022559 -0.007951 -0.017866 0.017437 0.011556 0.003809 14H 1s -0.006720 0.041251 -0.006249 0.021625 -0.044555 -0.001877 14H 2s -0.101948 -0.989003 -0.055028 -0.741429 1.053337 -0.014148 14H 3s 0.031384 -0.213144 0.379666 0.285617 -0.057359 -0.027180 14H 1pz -0.003892 -0.037976 -0.009843 -0.043238 0.051479 0.010882 14H 1px -0.023406 -0.058893 -0.015195 -0.051052 0.076928 0.005292 14H 1py 0.014454 -0.007914 0.011776 0.002849 -0.007433 -0.007002 15H 1s 0.003738 -0.012860 0.008987 -0.010360 0.015943 -0.004899 15H 2s -0.019009 0.217764 0.104246 0.695861 -0.459261 -0.077698 15H 3s -0.229317 0.016164 0.036117 -0.348925 -0.018917 0.091373 15H 1pz -0.000060 -0.016776 -0.001805 -0.024146 0.023076 0.002921 15H 1px -0.015108 0.014743 0.001589 0.019264 -0.022617 0.005058 15H 1py -0.005099 -0.003259 -0.018907 -0.055861 0.027292 0.005421 16H 1s -0.000088 -0.009842 0.015270 -0.000962 -0.013925 0.005526 16H 2s 0.049813 0.230854 0.103114 -0.039334 -0.029913 -0.015691 16H 3s 0.051022 0.004377 -0.085034 0.125056 0.001888 -0.061245 16H 1pz 0.037158 0.005888 -0.027625 -0.007983 0.009091 -0.009985 16H 1px -0.003700 -0.041298 -0.052428 0.001333 0.025078 -0.027132 16H 1py -0.068859 0.031083 0.030039 0.026070 0.012914 0.003573 17H 1s 0.001145 0.001597 -0.005558 0.000914 0.011277 -0.005195 17H 2s -0.088356 0.120612 0.051010 -0.025844 0.042270 -0.030148 17H 3s 0.067040 -0.199783 -0.100750 0.080883 0.033413 0.255064 17H 1pz -0.060986 0.036990 0.050680 0.017572 -0.010331 -0.034692 17H 1px 0.078231 0.015765 -0.005134 -0.006596 -0.007882 0.037000 17H 1py 0.010503 0.058127 0.059492 0.014827 -0.033160 0.020511 18H 1s -0.001329 0.002348 0.005068 0.000777 -0.011056 -0.004718 18H 2s 0.083086 0.118954 -0.056822 -0.024680 -0.036896 -0.031787 18H 3s -0.070006 -0.202162 0.106378 0.073157 -0.027847 0.256454 18H 1pz -0.061460 -0.033193 0.048569 -0.019583 -0.008909 0.035177 18H 1px 0.077358 -0.018464 -0.003020 0.007523 -0.008302 -0.037764 18H 1py 0.008006 -0.058506 0.062030 -0.017342 -0.033193 -0.019802 19H 1s 0.000218 -0.010791 -0.015276 -0.000319 0.014394 0.005365 19H 2s -0.046379 0.234710 -0.114645 -0.035736 0.035264 -0.016770 19H 3s -0.049495 0.006402 0.089061 0.124798 -0.003525 -0.053824 19H 1pz 0.037969 -0.007901 -0.027736 0.009955 0.008965 0.010155 19H 1px -0.000514 0.041806 -0.055067 0.000391 0.023756 0.026002 19H 1py -0.066724 -0.027465 0.027470 -0.027515 0.013141 -0.003400 20H 1s -0.004886 -0.014456 -0.009255 -0.010344 -0.016531 -0.005000 20H 2s 0.041471 0.255466 -0.075875 0.700903 0.467939 -0.075682 20H 3s 0.225935 0.003438 -0.054199 -0.343947 0.023174 0.089394 20H 1pz 0.000801 0.018382 -0.001021 0.024341 0.023549 -0.002830 20H 1px -0.015625 -0.015645 0.001135 -0.019552 -0.022717 -0.004941 20H 1py -0.003712 0.005355 -0.016346 0.056347 0.027581 -0.005263 21H 1s 0.007740 0.042353 0.006255 0.021600 0.043937 -0.002087 21H 2s 0.081313 -1.019597 0.044031 -0.750148 -1.039722 -0.008676 21H 3s -0.035409 -0.220413 -0.359781 0.302363 0.060479 -0.030701 21H 1pz -0.003581 0.039470 -0.008875 0.044241 0.051145 -0.011061 21H 1px -0.022143 0.060737 -0.014305 0.051651 0.075812 -0.005517 21H 1py 0.014508 0.007992 0.011455 -0.003126 -0.007459 0.006897 22H 1s -0.028781 -0.017410 0.009423 0.004400 -0.029785 0.006377 22H 2s 0.709794 0.503897 -0.323576 -0.009189 0.594172 0.101142 22H 3s 0.351403 -0.169962 0.081603 0.178895 -0.047680 -0.018351 22H 1pz -0.039569 -0.038630 0.012258 0.003990 -0.041446 0.001017 22H 1px 0.026575 0.017979 -0.013231 -0.004173 0.018254 0.005042 22H 1py 0.022020 0.006498 -0.018808 -0.016267 0.011316 -0.004259 23H 1s -0.000504 -0.020209 -0.027190 0.034150 -0.039590 -0.023615 23H 2s -0.255645 0.710712 0.741224 -0.977990 0.806024 0.510503 23H 3s 0.277510 -0.199948 0.283659 0.262422 -0.203832 0.104559 23H 1pz 0.010971 0.012988 0.006876 -0.001241 0.001095 0.001993 23H 1px 0.010191 -0.023348 -0.025869 0.027070 -0.028457 -0.018523 23H 1py 0.036704 -0.044993 -0.045951 0.085514 -0.064085 -0.040557 24H 1s 0.000813 0.016150 0.036424 -0.016653 0.019307 0.012820 24H 2s 0.421553 -0.202294 -0.755481 0.813351 -0.451509 -0.351758 24H 3s -0.124223 -0.014473 0.323150 -0.332412 -0.183304 0.046314 24H 1pz -0.038539 0.011774 0.055461 -0.055913 0.018333 0.020330 24H 1px -0.028678 0.012908 0.045439 -0.042244 0.031561 0.021955 24H 1py 0.006709 0.006994 -0.017152 0.016435 -0.006898 -0.007897 25H 1s -0.006990 0.005556 -0.015358 -0.004841 0.024872 0.004484 25H 2s 0.167848 -0.641006 0.611006 0.057107 -0.739803 -0.087761 25H 3s 0.097486 -0.184871 0.052173 0.130923 -0.045379 0.017682 25H 1pz -0.008304 0.026300 -0.053143 0.006188 0.034387 -0.002015 25H 1px 0.006953 -0.043821 0.027593 0.006651 -0.043041 -0.006116 25H 1py -0.004435 0.017970 0.001636 -0.012745 0.029993 0.011480 26O 1s -0.000910 -0.003100 -0.009114 0.003166 0.004280 0.001669 26O 2s -0.003169 -0.007479 -0.019964 0.005731 0.009031 0.003721 26O 3s 0.024017 0.008700 -0.011518 0.028031 0.008723 0.003722 26O 4s -0.040102 0.103288 0.545460 -0.291311 -0.279586 -0.093369 26O 5s -0.145700 -0.297766 -1.335803 0.761275 0.901258 0.018202 26O 1pz -0.005947 0.058703 0.016643 0.029162 -0.047051 0.010459 26O 1px 0.002706 0.013160 0.018039 -0.018281 -0.048993 0.025652 26O 1py 0.037933 0.029541 0.064968 -0.032232 0.010048 -0.038608 26O 2pz -0.012917 0.137737 0.066997 0.000056 -0.109413 -0.008290 26O 2px 0.015582 0.106828 0.047364 -0.031860 -0.111553 0.044766 26O 2py 0.081569 0.074524 0.126419 -0.067568 -0.029455 -0.026888 26O 3pz -0.084235 -0.872643 -0.797460 0.160118 0.410400 0.389624 26O 3px 0.261958 -0.549364 0.079328 0.094217 -0.120053 0.207079 26O 3py -0.084003 -0.628547 -0.294731 0.395500 0.469634 -0.333131 26O 1dz2 -0.000590 0.001413 -0.000855 -0.002842 -0.000866 0.000537 26O 1dxz -0.003076 0.000766 -0.004316 -0.000442 -0.001985 0.003326 26O 1dyz -0.000479 -0.001634 0.001587 0.000707 -0.001447 0.001172 26O 1dx2y2 -0.001058 0.000320 -0.000662 -0.001618 -0.005915 0.005037 26O 1dxy 0.002979 -0.002775 0.003792 0.000464 0.002693 -0.005008 26O 2dz2 0.086153 -0.011227 0.011370 -0.061876 -0.000592 -0.027108 26O 2dxz 0.001554 0.036099 -0.030046 -0.013596 0.007253 0.001468 26O 2dyz -0.058702 -0.056386 -0.005446 0.021131 -0.009539 0.033067 26O 2dx2y2 0.009750 -0.007461 -0.034903 -0.025406 0.009530 0.000533 26O 2dxy -0.001827 -0.005320 -0.025995 -0.001892 0.050114 -0.052183 26O 1f0 0.003521 0.000288 0.000559 -0.003570 -0.001201 -0.001131 26O 1f+1 -0.002501 -0.000270 -0.003245 0.000755 0.002238 -0.000074 26O 1f-1 -0.001790 0.000155 -0.002860 -0.000266 0.000731 0.000606 26O 1f+2 -0.000523 -0.000951 -0.000947 0.000847 0.000676 0.000503 26O 1f-2 0.000330 0.002166 -0.002469 -0.000897 0.000902 -0.000887 26O 1f+3 0.000199 -0.000660 -0.003137 -0.000895 0.003476 -0.002931 26O 1f-3 -0.003060 -0.002158 -0.004302 -0.001005 0.001116 0.000657 27O 1s -0.003570 -0.005726 0.004695 -0.001502 -0.001536 -0.005825 27O 2s -0.009607 -0.010418 0.009669 -0.000817 -0.003172 -0.009224 27O 3s 0.037910 -0.049979 0.014062 -0.048149 -0.004614 -0.072746 27O 4s 0.050172 0.526583 -0.353675 0.347161 0.094649 0.703172 27O 5s -0.694182 -0.992146 1.308095 -1.178442 -0.381491 -2.510835 27O 1pz -0.024516 0.023438 -0.036373 -0.054674 -0.027642 -0.024623 27O 1px -0.001922 -0.041513 -0.035897 0.011711 0.030558 0.065922 27O 1py -0.017864 0.027409 -0.008316 -0.004132 -0.051178 0.051561 27O 2pz -0.076706 0.121694 -0.090433 -0.064500 -0.021443 0.003674 27O 2px 0.075415 -0.048814 -0.106773 0.014947 0.054834 0.146616 27O 2py -0.010630 -0.000686 0.037908 -0.019485 -0.096575 0.004761 27O 3pz -0.218057 -0.239093 0.381992 0.081596 -0.294791 -0.227651 27O 3px 0.456445 0.199458 -0.212890 0.328328 0.097659 0.099085 27O 3py 0.008160 0.428858 -0.435586 0.006334 0.018695 0.324298 27O 1dz2 -0.000226 -0.000462 0.001985 0.000550 -0.001873 -0.002033 27O 1dxz -0.007215 0.005079 -0.003446 -0.000694 -0.005279 0.000294 27O 1dyz 0.001904 -0.000974 0.003611 -0.002883 0.000505 -0.004390 27O 1dx2y2 0.001570 0.002950 -0.002954 0.002216 -0.000116 0.000213 27O 1dxy 0.000403 0.003103 -0.001256 -0.001728 -0.003707 0.000676 27O 2dz2 0.088077 -0.002666 0.047550 0.052594 -0.000557 -0.014517 27O 2dxz -0.005904 0.022001 0.006471 0.009538 -0.025036 -0.002932 27O 2dyz 0.022041 -0.060703 -0.009376 -0.071588 -0.006967 -0.066251 27O 2dx2y2 -0.052239 0.013043 0.061403 0.011535 -0.001875 -0.064194 27O 2dxy 0.030960 -0.016424 -0.048665 -0.009071 -0.012562 0.025655 27O 1f0 0.004901 -0.001482 -0.000488 0.002360 0.000647 0.000823 27O 1f+1 -0.005964 -0.001110 0.001663 -0.001079 0.002376 0.000586 27O 1f-1 -0.000283 -0.001832 -0.001462 -0.002390 0.000115 -0.000586 27O 1f+2 -0.004471 -0.000439 -0.000259 -0.000704 -0.001673 -0.001345 27O 1f-2 0.001406 -0.002049 -0.000712 0.001648 0.000086 0.000998 27O 1f+3 -0.008732 -0.000766 0.004590 0.000889 0.001557 -0.003028 27O 1f-3 0.002086 0.001276 0.001453 0.000048 -0.002094 -0.002870 28O 1s -0.002427 -0.010840 -0.004675 -0.000225 0.001745 0.002203 28O 2s -0.005059 -0.019946 -0.011012 0.001352 0.004419 0.003754 28O 3s -0.006331 -0.087517 0.012466 -0.032902 -0.011402 0.023654 28O 4s 0.164516 0.927603 0.247195 0.228525 -0.075362 -0.248820 28O 5s -0.450286 -2.360457 -1.454488 -1.132187 0.664142 0.872450 28O 1pz -0.025870 -0.027580 -0.004976 0.029032 0.065324 -0.033322 28O 1px 0.005945 -0.017487 0.014289 -0.024949 0.005587 0.008742 28O 1py -0.004106 -0.001999 -0.062441 -0.053888 -0.028055 0.052724 28O 2pz -0.050725 0.016098 -0.005998 0.110524 0.117967 -0.058346 28O 2px -0.033075 0.011591 -0.072139 -0.040717 0.067815 0.033435 28O 2py 0.036340 0.086035 -0.150523 -0.129888 -0.026640 0.037195 28O 3pz 0.119149 0.127270 0.540970 -0.192280 -0.336290 -0.093525 28O 3px 0.058154 -0.565045 -0.308642 -0.285945 0.182188 -0.055037 28O 3py -0.178003 -0.347131 0.090033 0.313055 -0.206286 0.506383 28O 1dz2 -0.002200 -0.002424 0.003907 0.002085 0.004709 -0.004086 28O 1dxz 0.000114 -0.003317 -0.003200 -0.001409 -0.000388 0.001929 28O 1dyz 0.002024 0.000120 -0.004423 0.001560 -0.002987 0.002538 28O 1dx2y2 -0.000237 0.002287 0.001142 0.000555 -0.000542 0.000676 28O 1dxy -0.002164 -0.000901 0.004455 0.003303 0.004361 -0.005966 28O 2dz2 0.038180 0.025905 -0.043742 -0.019099 -0.012321 0.021045 28O 2dxz 0.036488 0.008139 0.020217 0.015894 -0.054663 0.026719 28O 2dyz -0.028329 0.068934 -0.024699 0.030995 0.027831 -0.012812 28O 2dx2y2 0.027881 -0.009338 -0.088143 -0.023422 -0.011547 0.056152 28O 2dxy -0.017516 0.030802 0.015090 0.018573 0.033856 -0.040880 28O 1f0 -0.002730 -0.000413 -0.003081 0.001696 0.003638 -0.000979 28O 1f+1 0.000986 0.000728 -0.004845 0.000011 0.001342 0.001288 28O 1f-1 0.000306 0.002068 -0.002672 -0.002370 0.000626 0.001199 28O 1f+2 0.002928 -0.001061 0.007864 0.001584 -0.005345 0.000312 28O 1f-2 -0.001355 -0.000510 0.001252 0.002469 0.003259 -0.002712 28O 1f+3 -0.000032 0.000701 0.004724 0.002049 -0.002067 -0.001622 28O 1f-3 -0.001253 -0.000018 0.001352 0.000869 0.002345 -0.002463 29O 1s 0.004506 -0.002968 -0.000600 -0.001364 0.000551 -0.000754 29O 2s 0.010105 -0.004084 -0.000106 -0.004117 0.001016 -0.002321 29O 3s 0.002686 -0.046187 -0.023957 0.019913 0.005282 0.011390 29O 4s -0.217549 0.394007 0.160320 -0.048095 -0.051373 -0.025385 29O 5s 0.515377 -1.015586 -0.371442 0.139332 0.101169 0.062322 29O 1pz -0.009200 -0.007139 -0.001708 -0.001037 -0.005467 0.000706 29O 1px 0.014661 0.013104 0.011062 -0.002354 -0.004671 0.004207 29O 1py 0.005268 0.013730 0.000084 0.004636 0.005680 0.011403 29O 2pz -0.026198 0.023461 -0.019296 -0.001129 0.030351 -0.010176 29O 2px 0.040464 -0.073847 -0.035636 0.007796 0.014734 0.013747 29O 2py 0.017162 0.012996 -0.014941 0.004469 0.003640 0.017512 29O 3pz 0.253320 0.009815 0.059839 -0.001201 -0.114803 0.100316 29O 3px -0.227764 0.431089 0.214888 -0.118496 -0.107037 -0.087526 29O 3py -0.084148 0.147235 0.072380 -0.109662 0.011161 -0.164928 29O 1dz2 -0.002011 0.002427 0.003043 0.001339 -0.000938 -0.000989 29O 1dxz -0.001329 0.000676 0.001339 0.000336 -0.000058 0.001542 29O 1dyz 0.002539 0.000390 0.000933 -0.000251 -0.001611 0.001392 29O 1dx2y2 0.000781 0.001578 0.001431 -0.000456 -0.000207 0.001542 29O 1dxy 0.000401 0.001375 0.000610 -0.000939 -0.000832 -0.000846 29O 2dz2 -0.075650 -0.015766 0.016657 0.014838 0.002368 0.013165 29O 2dxz 0.031542 0.043926 0.033446 0.010107 -0.040209 -0.008559 29O 2dyz 0.071907 -0.013480 -0.014214 -0.016877 -0.022921 -0.001454 29O 2dx2y2 0.027281 0.089805 0.043646 -0.002532 -0.026753 -0.011563 29O 2dxy -0.053078 0.056684 0.084176 0.032825 -0.018382 0.012024 29O 1f0 -0.000613 0.001646 -0.000823 0.000552 0.000472 -0.000465 29O 1f+1 0.001463 0.000553 0.000552 0.000161 -0.000338 -0.001309 29O 1f-1 -0.000285 0.002380 -0.000445 0.000378 0.001348 -0.001415 29O 1f+2 -0.001440 -0.002308 -0.000114 -0.000543 0.000535 0.000161 29O 1f-2 -0.000282 -0.000067 0.001638 0.000486 -0.001543 0.002980 29O 1f+3 0.001063 -0.000020 -0.000500 -0.000332 -0.000401 -0.001434 29O 1f-3 -0.000357 0.000439 -0.000114 0.001628 0.000724 0.000765 30O 1s -0.010939 -0.004219 -0.001460 0.004101 0.001551 0.005381 30O 2s -0.023880 -0.007941 -0.002174 0.007559 0.002731 0.007908 30O 3s -0.011495 -0.031638 -0.025392 0.033565 0.013063 0.079113 30O 4s 0.678062 0.424203 0.188880 -0.346678 -0.129906 -0.692584 30O 5s -2.204974 -1.389249 -0.380901 0.791370 0.242060 2.336122 30O 1pz 0.024097 0.006780 0.030292 -0.033310 0.027864 -0.007923 30O 1px -0.008017 -0.012162 -0.009749 0.013525 0.028694 0.080494 30O 1py 0.009217 -0.026981 -0.020735 -0.035185 0.066822 -0.011989 30O 2pz 0.081740 0.031032 0.016734 -0.129707 0.036137 -0.056669 30O 2px -0.070142 -0.069213 0.033276 -0.034349 0.033882 0.108032 30O 2py -0.053499 -0.113491 -0.084700 -0.043618 0.153317 0.081327 30O 3pz -0.059489 -0.590149 0.083591 0.559761 0.333488 0.054770 30O 3px -0.432710 -0.276007 -0.127891 0.162439 0.115482 0.188148 30O 3py 0.432184 0.505943 0.390507 0.106141 -0.370154 -0.409620 30O 1dz2 0.000573 -0.006044 -0.000969 -0.000328 0.007549 0.000769 30O 1dxz -0.001859 0.002497 -0.001235 0.000690 -0.002997 0.000530 30O 1dyz -0.003847 0.000191 -0.003155 0.000015 -0.001680 0.003264 30O 1dx2y2 0.001012 -0.000766 -0.001537 0.000231 0.000938 -0.000848 30O 1dxy -0.001478 0.001419 0.000448 0.000810 -0.003785 0.001472 30O 2dz2 0.030505 -0.014922 -0.009294 0.036543 -0.013532 0.019300 30O 2dxz 0.047180 -0.008360 -0.009422 -0.004085 -0.063409 -0.026427 30O 2dyz 0.048045 0.028485 -0.040024 0.010319 0.024778 0.032846 30O 2dx2y2 -0.001322 -0.027151 0.030374 0.014300 -0.033560 0.009555 30O 2dxy -0.048935 0.016893 0.004797 0.017023 -0.015712 0.071347 30O 1f0 -0.003592 -0.001430 0.002284 -0.000976 0.000382 -0.000240 30O 1f+1 -0.000165 0.001913 0.000321 0.000878 -0.003561 -0.000147 30O 1f-1 0.000469 0.002688 0.000644 0.001774 -0.002097 -0.000848 30O 1f+2 0.006830 0.000607 -0.001241 0.001181 -0.000290 -0.002249 30O 1f-2 0.007130 0.001021 -0.003927 0.000998 0.001964 0.001158 30O 1f+3 -0.000932 0.002740 -0.000707 -0.001998 -0.000034 -0.001927 30O 1f-3 0.006698 0.001305 -0.003508 -0.000323 -0.000431 -0.000839 31O 1s 0.011116 -0.004288 0.001678 0.004064 -0.001642 0.005355 31O 2s 0.024298 -0.008171 0.002576 0.007500 -0.002927 0.007841 31O 3s 0.011063 -0.029952 0.027319 0.032836 -0.013357 0.079284 31O 4s -0.684596 0.421364 -0.209161 -0.342138 0.134444 -0.691852 31O 5s 2.230971 -1.402721 0.420691 0.796240 -0.237284 2.336265 31O 1pz 0.024744 -0.005163 0.031125 0.032087 0.028059 0.007915 31O 1px -0.008174 0.012726 -0.009245 -0.013284 0.027341 -0.080530 31O 1py 0.008352 0.027414 -0.019754 0.036060 0.066200 0.011555 31O 2pz 0.084965 -0.028740 0.021340 0.129378 0.036212 0.056660 31O 2px -0.071305 0.073530 0.035356 0.032131 0.030706 -0.107756 31O 2py -0.057419 0.114044 -0.083783 0.047454 0.152955 -0.082501 31O 3pz -0.063237 0.585245 0.036340 -0.557734 0.333324 -0.052217 31O 3px -0.435539 0.281391 -0.138327 -0.163067 0.115743 -0.190243 31O 3py 0.456504 -0.495237 0.397160 -0.129579 -0.380453 0.409273 31O 1dz2 -0.000661 -0.006188 0.001119 -0.000371 -0.007417 0.000798 31O 1dxz 0.001920 0.002577 0.001129 0.000665 0.002941 0.000549 31O 1dyz 0.003895 0.000288 0.003082 -0.000072 0.001698 0.003283 31O 1dx2y2 -0.001047 -0.000730 0.001575 0.000142 -0.000935 -0.000833 31O 1dxy 0.001562 0.001501 -0.000473 0.000797 0.003757 0.001445 31O 2dz2 -0.031034 -0.013096 0.011155 0.035808 0.013849 0.019598 31O 2dxz -0.047920 -0.005041 0.009837 -0.005030 0.062209 -0.026095 31O 2dyz -0.048196 0.030246 0.039831 0.009006 -0.025407 0.033314 31O 2dx2y2 0.001360 -0.027484 -0.029583 0.015240 0.033453 0.009408 31O 2dxy 0.049620 0.015474 -0.006371 0.017225 0.015773 0.071069 31O 1f0 -0.003631 0.001633 0.002288 0.000878 0.000375 0.000276 31O 1f+1 -0.000208 -0.001994 0.000343 -0.000897 -0.003517 0.000159 31O 1f-1 0.000394 -0.002753 0.000642 -0.001826 -0.002051 0.000865 31O 1f+2 0.006873 -0.000776 -0.001311 -0.001086 -0.000221 0.002200 31O 1f-2 0.007173 -0.001320 -0.003978 -0.000823 0.001951 -0.001231 31O 1f+3 -0.000936 -0.002647 -0.000586 0.002012 -0.000007 0.001941 31O 1f-3 0.006718 -0.001570 -0.003492 0.000488 -0.000389 0.000782 32O 1s -0.004455 -0.003106 0.000670 -0.001379 -0.000660 -0.000791 32O 2s -0.010004 -0.004420 0.000138 -0.004102 -0.001229 -0.002411 32O 3s -0.002402 -0.045749 0.026447 0.018924 -0.006027 0.011470 32O 4s 0.214028 0.398194 -0.177655 -0.042035 0.060937 -0.024561 32O 5s -0.508401 -1.027694 0.416482 0.125923 -0.125600 0.061592 32O 1pz -0.009418 0.007058 -0.002054 0.001269 -0.006004 -0.000508 32O 1px 0.014511 -0.012024 0.011334 0.002017 -0.004647 -0.003996 32O 1py 0.005261 -0.013876 0.000444 -0.004575 0.005376 -0.011761 32O 2pz -0.025215 -0.024419 -0.018881 0.002316 0.029240 0.010333 32O 2px 0.040235 0.074750 -0.037713 -0.006314 0.015209 -0.014417 32O 2py 0.017257 -0.014166 -0.016040 -0.003763 0.004437 -0.017650 32O 3pz 0.242282 -0.011231 0.064994 -0.004502 -0.111276 -0.103303 32O 3px -0.231434 -0.434388 0.231034 0.108360 -0.107200 0.090607 32O 3py -0.080758 -0.149463 0.088235 0.107709 0.004341 0.167989 32O 1dz2 0.002152 0.002312 -0.003026 0.001495 0.000926 -0.001038 32O 1dxz 0.001361 0.000649 -0.001371 0.000374 0.000019 0.001511 32O 1dyz -0.002350 0.000605 -0.001172 -0.000189 0.001659 0.001380 32O 1dx2y2 -0.000731 0.001535 -0.001517 -0.000392 0.000229 0.001517 32O 1dxy -0.000309 0.001409 -0.000729 -0.000900 0.000767 -0.000831 32O 2dz2 0.076527 -0.018937 -0.015227 0.016233 -0.003610 0.013076 32O 2dxz -0.028821 0.045673 -0.033622 0.010868 0.038831 -0.007672 32O 2dyz -0.068534 -0.009151 0.010345 -0.016424 0.023918 -0.000893 32O 2dx2y2 -0.025620 0.089018 -0.044512 -0.001029 0.025103 -0.011720 32O 2dxy 0.054117 0.055491 -0.085557 0.036308 0.018496 0.010866 32O 1f0 -0.000557 -0.001541 -0.000838 -0.000502 0.000422 0.000380 32O 1f+1 0.001409 -0.000570 0.000542 -0.000158 -0.000318 0.001362 32O 1f-1 -0.000403 -0.002465 -0.000467 -0.000377 0.001408 0.001411 32O 1f+2 -0.001377 0.002482 -0.000158 0.000525 0.000538 -0.000155 32O 1f-2 -0.000308 0.000240 0.001625 -0.000518 -0.001544 -0.002927 32O 1f+3 0.001024 -0.000006 -0.000446 0.000362 -0.000419 0.001352 32O 1f-3 -0.000270 -0.000529 -0.000174 -0.001625 0.000665 -0.000811 33O 1s 0.002415 -0.010671 0.004953 -0.000404 -0.001816 0.002234 33O 2s 0.005022 -0.019531 0.011621 0.000904 -0.004536 0.003829 33O 3s 0.006592 -0.087943 -0.011897 -0.031980 0.010551 0.023570 33O 4s -0.165566 0.919289 -0.258357 0.235081 0.083833 -0.250698 33O 5s 0.449164 -2.335258 1.444743 -1.174877 -0.697813 0.883927 33O 1pz -0.025253 0.027305 -0.006508 -0.028921 0.064719 0.033256 33O 1px 0.006666 0.018556 0.015954 0.023885 0.006159 -0.008459 33O 1py -0.004662 0.001069 -0.060086 0.057009 -0.027291 -0.053279 33O 2pz -0.050855 -0.017639 -0.008466 -0.110789 0.115437 0.058581 33O 2px -0.032392 -0.010423 -0.066302 0.042419 0.069551 -0.033187 33O 2py 0.033719 -0.088644 -0.142188 0.136680 -0.024705 -0.038672 33O 3pz 0.116721 -0.119091 0.547901 0.171921 -0.325172 0.096825 33O 3px 0.066861 0.560281 -0.310475 0.291659 0.186440 0.053492 33O 3py -0.181603 0.350792 0.067685 -0.312984 -0.203469 -0.503703 33O 1dz2 0.002071 -0.002571 -0.003842 0.002333 -0.004668 -0.004189 33O 1dxz -0.000128 -0.003269 0.003222 -0.001524 0.000384 0.001946 33O 1dyz -0.001893 0.000087 0.004580 0.001319 0.002918 0.002534 33O 1dx2y2 0.000300 0.002338 -0.001163 0.000576 0.000550 0.000693 33O 1dxy 0.002075 -0.000954 -0.004282 0.003549 -0.004288 -0.006015 33O 2dz2 -0.038520 0.028323 0.041545 -0.021302 0.012985 0.021644 33O 2dxz -0.035636 0.009176 -0.019688 0.015656 0.055305 0.026970 33O 2dyz 0.029396 0.068844 0.023904 0.029740 -0.028307 -0.012688 33O 2dx2y2 -0.027848 -0.006759 0.086410 -0.026960 0.011257 0.056810 33O 2dxy 0.018346 0.030428 -0.014998 0.019336 -0.034380 -0.041004 33O 1f0 -0.002696 0.000381 -0.003080 -0.001643 0.003628 0.000993 33O 1f+1 0.000953 -0.000927 -0.004839 0.000194 0.001274 -0.001370 33O 1f-1 0.000292 -0.002134 -0.002419 0.002454 0.000632 -0.001215 33O 1f+2 0.002985 0.001149 0.007741 -0.001853 -0.005389 -0.000258 33O 1f-2 -0.001300 0.000502 0.001105 -0.002555 0.003238 0.002713 33O 1f+3 -0.000029 -0.000631 0.004568 -0.002197 -0.002097 0.001638 33O 1f-3 -0.001214 0.000015 0.001283 -0.000937 0.002296 0.002460 34O 1s 0.003695 -0.006037 -0.004571 -0.001356 0.001505 -0.005896 34O 2s 0.009905 -0.011051 -0.009412 -0.000528 0.003131 -0.009362 34O 3s -0.038225 -0.051110 -0.013466 -0.047600 0.004036 -0.073165 34O 4s -0.055214 0.548828 0.345353 0.334570 -0.089874 0.709411 34O 5s 0.714547 -1.060404 -1.305501 -1.121043 0.365124 -2.531537 34O 1pz -0.025013 -0.024455 -0.033939 0.055846 -0.026945 0.024747 34O 1px -0.001262 0.039954 -0.037063 -0.010142 0.029785 -0.066326 34O 1py -0.018622 -0.027491 -0.006362 0.004245 -0.050897 -0.051327 34O 2pz -0.077472 -0.123896 -0.085773 0.067022 -0.020918 -0.003484 34O 2px 0.077487 0.043750 -0.108987 -0.009942 0.052682 -0.147998 34O 2py -0.013685 0.002317 0.039419 0.017496 -0.095515 -0.003903 34O 3pz -0.227414 0.249437 0.379429 -0.095958 -0.286549 0.232095 34O 3px 0.461661 -0.204097 -0.215351 -0.314394 0.101081 -0.100703 34O 3py 0.014681 -0.450741 -0.422590 0.008148 0.014913 -0.330653 34O 1dz2 0.000238 -0.000491 -0.001926 0.000638 0.001858 -0.002057 34O 1dxz 0.007376 0.005190 0.003254 -0.000773 0.005186 0.000258 34O 1dyz -0.001872 -0.001116 -0.003660 -0.002754 -0.000509 -0.004406 34O 1dx2y2 -0.001576 0.003117 0.002950 0.002102 0.000096 0.000239 34O 1dxy -0.000344 0.003194 0.001072 -0.001739 0.003676 0.000674 34O 2dz2 -0.088039 -0.002116 -0.044088 0.053913 0.001256 -0.014411 34O 2dxz 0.006357 0.022378 -0.006751 0.009773 0.024701 -0.003044 34O 2dyz -0.021910 -0.061067 0.008393 -0.071790 0.007011 -0.066087 34O 2dx2y2 0.053193 0.011997 -0.060644 0.014471 0.001720 -0.064624 34O 2dxy -0.031383 -0.014999 0.048532 -0.011073 0.012189 0.025901 34O 1f0 0.004923 0.001367 -0.000639 -0.002320 0.000595 -0.000860 34O 1f+1 -0.005986 0.001242 0.001703 0.000959 0.002370 -0.000560 34O 1f-1 -0.000243 0.001871 -0.001415 0.002463 0.000124 0.000577 34O 1f+2 -0.004501 0.000479 -0.000263 0.000701 -0.001616 0.001370 34O 1f-2 0.001414 0.001993 -0.000842 -0.001601 0.000098 -0.001014 34O 1f+3 -0.008752 0.000980 0.004531 -0.001105 0.001537 0.003078 34O 1f-3 0.002068 -0.001242 0.001405 -0.000087 -0.002050 0.002885 35O 1s 0.000865 -0.002758 0.009313 0.002862 -0.004414 0.001685 35O 2s 0.002974 -0.006732 0.020408 0.005033 -0.009281 0.003769 35O 3s -0.022157 0.009343 0.011572 0.028252 -0.009985 0.003450 35O 4s 0.033303 0.083634 -0.555508 -0.276479 0.291517 -0.092381 35O 5s 0.150225 -0.244088 1.380113 0.732018 -0.912477 0.014254 35O 1pz -0.007489 -0.057547 0.016611 -0.029374 -0.047536 -0.010220 35O 1px 0.000968 -0.012113 0.020062 0.017958 -0.047541 -0.025375 35O 1py 0.037177 -0.028121 0.067907 0.029007 0.010117 0.038975 35O 2pz -0.016337 -0.135998 0.069930 -0.002060 -0.111098 0.008737 35O 2px 0.009834 -0.105535 0.055001 0.030862 -0.106679 -0.044087 35O 2py 0.079636 -0.074176 0.135328 0.060638 -0.029667 0.027521 35O 3pz -0.074764 0.864927 -0.835059 -0.129395 0.419556 -0.394929 35O 3px 0.281064 0.566378 0.053410 -0.088885 -0.126300 -0.208488 35O 3py -0.063513 0.633452 -0.339163 -0.379250 0.471533 0.332887 35O 1dz2 0.000687 0.001494 0.000695 -0.002882 0.000798 0.000564 35O 1dxz 0.003192 0.000795 0.004381 -0.000664 0.001980 0.003391 35O 1dyz 0.000551 -0.001628 -0.001517 0.000752 0.001412 0.001209 35O 1dx2y2 0.001131 0.000080 0.000690 -0.001777 0.005855 0.005037 35O 1dxy -0.003132 -0.002804 -0.003761 0.000651 -0.002632 -0.005018 35O 2dz2 -0.085985 -0.009379 -0.013466 -0.061818 -0.000404 -0.026676 35O 2dxz -0.001025 0.036216 0.028930 -0.015131 -0.007113 0.001842 35O 2dyz 0.056926 -0.056855 0.008601 0.020413 0.010490 0.032942 35O 2dx2y2 -0.009761 -0.007819 0.035330 -0.026942 -0.009400 0.000776 35O 2dxy 0.000568 -0.005121 0.027107 -0.002714 -0.049384 -0.051954 35O 1f0 0.003521 -0.000247 0.000705 0.003561 -0.001137 0.001137 35O 1f+1 -0.002492 0.000340 -0.003307 -0.000655 0.002175 0.000077 35O 1f-1 -0.001752 -0.000111 -0.002901 0.000372 0.000702 -0.000592 35O 1f+2 -0.000575 0.000879 -0.001051 -0.000780 0.000676 -0.000533 35O 1f-2 0.000285 -0.002273 -0.002391 0.000994 0.000859 0.000851 35O 1f+3 0.000220 0.000559 -0.003115 0.000963 0.003420 0.002903 35O 1f-3 -0.003026 0.002243 -0.004339 0.001149 0.001117 -0.000638 282 283 284 285 286 287 1.08663 1.09609 1.10177 1.14413 1.14731 1.14991 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s -0.000798 -0.001900 0.000343 -0.000109 -0.000314 0.001779 0Rh 2s 0.002489 0.010345 -0.003515 0.000225 0.001277 -0.007848 0Rh 3s -0.003132 -0.004737 -0.000160 -0.000497 -0.001053 0.005574 0Rh 4s -0.011195 -0.049036 0.017204 -0.000910 -0.005913 0.036652 0Rh 5s 0.002817 0.068456 -0.035507 -0.001925 0.004948 -0.036659 0Rh 6s 0.058695 0.005359 0.049652 0.015320 0.016493 -0.079027 0Rh 7s -0.205188 -0.136902 -0.180661 -0.054981 -0.054560 0.047224 0Rh 8s -0.324571 -0.058620 0.010607 0.094380 0.049608 -1.343429 0Rh 1pz -0.012326 0.005466 -0.006023 -0.027959 -0.006568 -0.002537 0Rh 1px -0.002078 -0.017490 0.008713 -0.010903 0.003082 -0.001398 0Rh 1py -0.003982 -0.002014 0.001596 0.005269 -0.029132 -0.000305 0Rh 2pz 0.042042 -0.018315 0.020299 0.092959 0.021787 0.008886 0Rh 2px 0.006974 0.058906 -0.029413 0.036224 -0.010234 0.005305 0Rh 2py 0.014104 0.006804 -0.005271 -0.017503 0.096855 0.001023 0Rh 3pz -0.019404 0.001697 -0.004213 0.009826 0.003385 -0.008053 0Rh 3px -0.000665 -0.011869 0.007410 0.004265 -0.001293 -0.015257 0Rh 3py -0.017371 -0.001836 -0.001205 -0.002227 0.010465 -0.000439 0Rh 4pz -0.146649 0.092148 -0.092565 -0.553806 -0.134358 -0.021080 0Rh 4px -0.036127 -0.269246 0.127443 -0.216739 0.061667 0.047794 0Rh 4py -0.003487 -0.029364 0.034124 0.105965 -0.578223 -0.001190 0Rh 5pz 0.114920 -0.133027 0.116807 0.836467 0.205887 0.063644 0Rh 5px 0.053814 0.357056 -0.157310 0.322747 -0.092784 -0.235692 0Rh 5py -0.084043 0.042830 -0.065025 -0.161160 0.874509 -0.023655 0Rh 6pz 1.908965 0.283796 0.216547 -0.047747 -0.047274 -1.043735 0Rh 6px -0.057786 -0.214970 -0.082219 -0.019917 -0.075772 4.487271 0Rh 6py 2.187685 -0.250116 0.604434 0.009640 -0.182407 0.760117 0Rh 1dz2 0.024972 0.031370 0.045549 -0.016002 -0.007181 0.021327 0Rh 1dxz -0.052962 0.019478 0.008206 0.018157 0.006660 0.016770 0Rh 1dyz 0.007268 -0.008327 -0.015887 0.006507 -0.014485 0.002551 0Rh 1dx2y2 -0.005678 -0.002445 0.037904 0.009577 -0.002576 -0.037133 0Rh 1dxy -0.051523 -0.001475 0.000189 -0.002102 0.020539 -0.010432 0Rh 2dz2 -0.006806 -0.004677 -0.008408 0.004282 0.001551 -0.005639 0Rh 2dxz 0.013358 -0.002023 -0.001511 -0.005635 -0.001818 -0.003729 0Rh 2dyz -0.001993 0.001775 0.002428 -0.001855 0.002585 -0.000776 0Rh 2dx2y2 0.000830 -0.001219 -0.005682 -0.002859 0.000991 0.009463 0Rh 2dxy 0.013228 -0.000684 0.001090 0.000630 -0.006678 0.002912 0Rh 3dz2 -0.024262 -0.046914 -0.061739 0.016312 0.009024 -0.021397 0Rh 3dxz 0.056282 -0.032765 -0.011278 -0.015294 -0.006698 -0.019438 0Rh 3dyz -0.006969 0.010246 0.023435 -0.006127 0.020570 -0.002012 0Rh 3dx2y2 0.008571 0.009984 -0.056636 -0.008512 0.001450 0.038570 0Rh 3dxy 0.053881 0.005862 -0.004992 0.001881 -0.015927 0.009705 0Rh 4dz2 -0.118031 -0.096249 -0.158136 0.072503 0.024693 -0.107081 0Rh 4dxz 0.234953 -0.049480 -0.027367 -0.091879 -0.029915 -0.081063 0Rh 4dyz -0.036424 0.033540 0.054167 -0.031449 0.041094 -0.016194 0Rh 4dx2y2 0.015961 -0.011024 -0.117824 -0.047112 0.013523 0.184256 0Rh 4dxy 0.228636 -0.005894 0.014926 0.010026 -0.111191 0.056752 0Rh 5dz2 0.347012 0.232418 0.368492 -0.193093 -0.018887 0.465452 0Rh 5dxz -0.691130 0.122550 0.045154 0.240593 0.063431 0.424532 0Rh 5dyz 0.139085 -0.108407 -0.205934 0.084382 0.024394 0.097721 0Rh 5dx2y2 -0.005401 0.028958 0.315672 0.128848 0.000259 -0.826194 0Rh 5dxy -0.626888 0.014187 -0.069680 -0.021879 0.354859 -0.276625 0Rh 1f0 0.008813 0.017012 -0.011518 -0.020719 0.024861 -0.025497 0Rh 1f+1 0.020740 -0.012208 0.011770 -0.008810 -0.001478 0.022770 0Rh 1f-1 -0.003158 -0.004048 -0.000150 0.024912 0.039261 0.005021 0Rh 1f+2 -0.021346 -0.021367 0.003365 -0.032703 0.010904 0.038395 0Rh 1f-2 -0.006223 -0.008414 0.005241 -0.002311 0.014824 0.012957 0Rh 1f+3 -0.002373 -0.027520 0.011142 0.013352 -0.005392 0.042640 0Rh 1f-3 0.022407 -0.017176 0.007120 -0.005375 -0.002566 0.022569 1Rh 1s -0.000779 -0.001884 0.000343 -0.000169 -0.000243 -0.001849 1Rh 2s 0.002428 0.010297 -0.003520 0.000484 0.000950 0.008093 1Rh 3s -0.003061 -0.004676 -0.000158 -0.000691 -0.000835 -0.005835 1Rh 4s -0.010919 -0.048816 0.017223 -0.002113 -0.004386 -0.037774 1Rh 5s 0.002710 0.068385 -0.035533 -0.000786 0.003345 0.037250 1Rh 6s 0.057396 0.004275 0.049657 0.018170 0.013522 0.083638 1Rh 7s -0.204869 -0.133376 -0.181890 -0.059017 -0.054717 -0.070596 1Rh 8s -0.316144 -0.058375 0.007921 0.130077 -0.009052 1.350376 1Rh 1pz 0.012442 -0.005441 0.006044 0.027872 0.006721 -0.003039 1Rh 1px 0.002104 0.017509 -0.008666 0.010840 -0.003048 -0.001747 1Rh 1py 0.004029 0.002075 -0.001675 -0.005282 0.029110 0.001074 1Rh 2pz -0.042436 0.018224 -0.020371 -0.092654 -0.022318 0.010550 1Rh 2px -0.007067 -0.058975 0.029251 -0.035992 0.010099 0.006467 1Rh 2py -0.014267 -0.007014 0.005535 0.017546 -0.096784 -0.003564 1Rh 3pz 0.019586 -0.001575 0.004275 -0.010141 -0.003031 -0.007818 1Rh 3px 0.000862 0.012037 -0.007367 -0.004790 0.001887 -0.015207 1Rh 3py 0.017468 0.001943 0.001154 0.002236 -0.010417 -0.000886 1Rh 4pz 0.148139 -0.092137 0.092739 0.553290 0.136073 -0.031259 1Rh 4px 0.035758 0.268907 -0.126775 0.218060 -0.063963 0.041116 1Rh 4py 0.003981 0.030081 -0.035359 -0.106168 0.577531 0.026044 1Rh 5pz -0.117553 0.132850 -0.117198 -0.834992 -0.209944 0.079291 1Rh 5px -0.052053 -0.355776 0.156592 -0.329827 0.103033 -0.225372 1Rh 5py 0.083549 -0.043732 0.066685 0.160886 -0.872203 -0.064924 1Rh 6pz -1.891068 -0.270933 -0.208102 0.022358 0.095452 -1.052725 1Rh 6px 0.025464 0.196602 0.079107 0.156188 -0.115998 4.489562 1Rh 6py -2.191022 0.251237 -0.597764 0.005161 0.145947 0.772161 1Rh 1dz2 0.024759 0.031653 0.045640 -0.016644 -0.006279 -0.021299 1Rh 1dxz -0.052931 0.019389 0.007972 0.017726 0.007445 -0.017337 1Rh 1dyz 0.007558 -0.008423 -0.015699 0.006331 -0.014282 -0.003808 1Rh 1dx2y2 -0.006101 -0.002524 0.037833 0.010706 -0.004168 0.037201 1Rh 1dxy -0.051563 -0.001681 0.000018 -0.001805 0.020062 0.011363 1Rh 2dz2 -0.006768 -0.004758 -0.008428 0.004455 0.001312 0.005581 1Rh 2dxz 0.013367 -0.001980 -0.001455 -0.005544 -0.001998 0.003900 1Rh 2dyz -0.002048 0.001773 0.002398 -0.001816 0.002545 0.000995 1Rh 2dx2y2 0.000924 -0.001203 -0.005658 -0.003141 0.001405 -0.009425 1Rh 2dxy 0.013250 -0.000637 0.001127 0.000548 -0.006541 -0.003222 1Rh 3dz2 -0.023963 -0.047172 -0.061849 0.016943 0.008119 0.021598 1Rh 3dxz 0.056188 -0.032755 -0.011014 -0.014781 -0.007584 0.019942 1Rh 3dyz -0.007354 0.010464 0.023159 -0.005916 0.020310 0.003815 1Rh 3dx2y2 0.009066 0.010081 -0.056586 -0.009706 0.003063 -0.038872 1Rh 3dxy 0.053870 0.006108 -0.004787 0.001601 -0.015498 -0.010394 1Rh 4dz2 -0.117358 -0.097703 -0.158475 0.075749 0.020184 0.106039 1Rh 4dxz 0.234942 -0.048889 -0.026406 -0.089796 -0.033737 0.083936 1Rh 4dyz -0.037445 0.033474 0.053646 -0.030683 0.040275 0.019739 1Rh 4dx2y2 0.017783 -0.010661 -0.117436 -0.052621 0.021571 -0.184022 1Rh 4dxy 0.229028 -0.005107 0.015658 0.008402 -0.108549 -0.062001 1Rh 5dz2 0.346304 0.238551 0.368747 -0.206878 0.000210 -0.458727 1Rh 5dxz -0.689849 0.121438 0.042720 0.228959 0.082690 -0.434223 1Rh 5dyz 0.141415 -0.104794 -0.206663 0.081122 0.027223 -0.095978 1Rh 5dx2y2 -0.012495 0.026996 0.314247 0.153565 -0.036124 0.829027 1Rh 5dxy -0.629061 0.012892 -0.072725 -0.013615 0.341938 0.295676 1Rh 1f0 -0.008688 -0.016992 0.011570 0.020014 -0.023673 -0.027617 1Rh 1f+1 -0.021037 0.012192 -0.011912 0.009553 0.000496 0.022770 1Rh 1f-1 0.002962 0.003998 0.000191 -0.024764 -0.039462 0.003904 1Rh 1f+2 0.021456 0.021326 -0.003420 0.033916 -0.012334 0.037075 1Rh 1f-2 0.006121 0.008499 -0.005344 0.002817 -0.015336 0.012660 1Rh 1f+3 0.002070 0.027435 -0.011313 -0.012193 0.003422 0.043502 1Rh 1f-3 -0.022652 0.016851 -0.006944 0.006104 0.001730 0.022538 2C 1s 0.000090 0.008284 -0.002400 0.001233 0.001001 -0.000007 2C 2s 0.000090 0.015030 -0.001308 0.003318 0.000539 -0.002917 2C 3s 0.009948 0.195076 -0.165389 -0.028299 0.076365 0.084403 2C 4s -0.039154 -1.465016 0.895202 0.102778 -0.357068 -0.346014 2C 5s -0.430393 -1.186993 -0.072286 -0.725491 -0.439704 0.293530 2C 1pz -0.027879 -0.093319 0.071412 0.002584 -0.039399 -0.010077 2C 1px 0.017844 -0.039422 0.037602 0.047691 0.054709 -0.069282 2C 1py 0.017000 -0.086057 -0.012459 -0.009011 0.011674 -0.014460 2C 2pz -0.121423 -1.100203 0.581307 0.094312 -0.158259 -0.396983 2C 2px -0.006349 -0.395887 0.107629 -0.301176 -0.366578 0.387472 2C 2py 0.132089 -0.552216 0.564377 -0.045433 -0.266720 -0.065582 2C 3pz -0.204083 -0.632132 0.376323 -0.315149 -0.304455 -0.050804 2C 3px 0.097290 -0.295328 0.207996 0.502434 0.532227 -0.516726 2C 3py 0.057340 -0.665082 -0.034138 0.046391 -0.168945 0.027804 2C 1dz2 0.001271 0.000109 -0.011473 -0.001508 -0.003822 -0.002481 2C 1dxz 0.000312 0.003397 -0.004413 0.006234 0.006315 -0.001183 2C 1dyz -0.000158 0.008747 0.001489 -0.002055 0.001798 0.006284 2C 1dx2y2 0.001099 -0.007030 -0.004716 -0.001278 -0.000968 0.001915 2C 1dxy -0.001849 -0.000950 -0.003280 0.005891 0.005265 -0.000702 2C 2dz2 0.040363 -0.205295 0.594438 -0.204594 -0.251196 0.087275 2C 2dxz 0.140980 0.163177 0.404062 0.386852 0.371733 -0.549677 2C 2dyz 0.014148 -0.936558 0.284927 -0.090265 -0.308022 0.021037 2C 2dx2y2 0.168587 0.303280 0.156067 -0.158001 -0.049352 0.318193 2C 2dxy -0.186912 -0.308162 -0.045667 0.302357 0.262068 -0.458549 2C 1f0 0.011964 0.007975 0.018637 -0.012345 -0.015277 0.021771 2C 1f+1 -0.008003 -0.021981 -0.001555 -0.001695 -0.003013 -0.003213 2C 1f-1 -0.003179 -0.026925 0.016012 0.008791 0.000124 -0.013779 2C 1f+2 0.001377 0.018304 0.002750 0.008958 0.013110 -0.013797 2C 1f-2 0.001327 0.010369 0.007413 0.007080 0.005099 -0.006110 2C 1f+3 0.007037 -0.007854 0.022134 -0.002417 -0.006789 -0.001766 2C 1f-3 -0.001181 -0.019887 -0.001144 -0.010529 -0.011393 0.013065 3C 1s 0.000253 0.007049 -0.005028 0.001160 -0.000466 0.000125 3C 2s 0.000999 0.010655 -0.010593 0.003288 0.000314 -0.001352 3C 3s -0.011000 0.239485 -0.072040 -0.028998 -0.058121 0.047269 3C 4s 0.020812 -1.559843 0.710744 0.095812 0.239345 -0.197531 3C 5s -0.595402 -1.374261 0.164200 -0.573890 -0.020842 0.261761 3C 1pz 0.001587 -0.019854 0.060185 -0.012316 0.033199 0.034295 3C 1px 0.029405 -0.041739 0.043280 0.061649 -0.026490 -0.051979 3C 1py 0.024258 0.126178 -0.028445 0.011359 -0.001160 0.023667 3C 2pz 0.203016 -0.582398 0.063785 0.080897 0.038483 -0.155957 3C 2px 0.225809 -0.519068 0.209535 -0.359104 0.347906 0.446815 3C 2py 0.129726 1.141084 -0.582857 -0.095929 -0.152890 0.285037 3C 3pz -0.066212 -0.239433 0.354012 -0.262494 0.254653 0.083935 3C 3px 0.326378 -0.347528 0.300333 0.379142 -0.536781 -0.354810 3C 3py 0.226512 0.917372 -0.117676 0.123744 -0.192826 -0.041615 3C 1dz2 0.001251 -0.006172 -0.010436 -0.000931 0.003473 -0.005327 3C 1dxz 0.000138 0.001729 -0.005514 0.005537 -0.005454 -0.007748 3C 1dyz 0.000382 -0.002266 0.005659 0.003206 -0.001735 0.000233 3C 1dx2y2 0.000104 -0.008830 -0.000705 0.004116 -0.004025 -0.004156 3C 1dxy -0.003028 -0.004568 0.002851 -0.006071 0.004511 -0.002890 3C 2dz2 0.043811 0.273935 0.153347 -0.160651 0.104120 0.229602 3C 2dxz -0.412587 -0.088827 0.259932 0.403036 -0.284185 -0.658149 3C 2dyz 0.118744 0.703927 -0.710881 0.242314 -0.321801 -0.223407 3C 2dx2y2 -0.309661 0.520092 0.246636 0.165706 -0.277938 -0.170665 3C 2dxy -0.214512 0.377090 -0.052666 -0.279585 0.196355 0.345254 3C 1f0 -0.019877 0.026107 0.009256 0.001331 -0.005114 -0.001303 3C 1f+1 0.003239 -0.002918 0.011135 -0.012613 0.008307 0.019154 3C 1f-1 0.016416 0.007714 -0.023315 -0.002964 -0.000469 0.006645 3C 1f+2 0.004613 0.004141 -0.001664 -0.005638 0.001832 0.002652 3C 1f-2 -0.002216 0.010919 -0.011466 0.006475 -0.007109 -0.006700 3C 1f+3 -0.017346 -0.019496 0.020838 0.013936 -0.005561 -0.021396 3C 1f-3 -0.007936 0.020161 -0.011057 0.018288 -0.015405 -0.022000 4C 1s -0.000651 -0.012824 0.008687 0.000825 -0.003923 -0.008780 4C 2s -0.001568 -0.027859 0.020110 0.001490 -0.010065 -0.022864 4C 3s -0.021949 -0.276005 0.115396 0.009132 -0.018730 0.013491 4C 4s 0.112274 2.346086 -1.413529 -0.184906 0.414176 0.639564 4C 5s 0.854674 1.825953 -1.422044 0.146187 1.308736 1.498899 4C 1pz 0.019314 -0.114832 0.002370 0.005302 -0.015344 -0.000296 4C 1px -0.061711 -0.056011 -0.023781 -0.015526 -0.019913 -0.056147 4C 1py -0.009778 -0.012472 0.109449 -0.018543 -0.007823 -0.010970 4C 2pz 0.145043 -0.892320 0.550255 -0.106354 -0.360898 -0.057467 4C 2px -0.422378 -0.217086 0.036211 0.281176 0.246890 -0.408565 4C 2py -0.057045 -0.524039 0.455882 0.038394 -0.107566 -0.154583 4C 3pz 0.022397 -0.783684 -0.838288 -0.187633 0.464906 0.718839 4C 3px -0.251781 -0.253223 -0.214374 -0.405256 -0.372803 0.472132 4C 3py -0.005331 -0.116982 -0.164947 -0.325958 0.305235 0.325288 4C 1dz2 -0.004879 -0.006087 0.006509 0.002252 -0.002469 0.003349 4C 1dxz 0.007362 -0.003422 0.006331 0.001335 0.003130 -0.001705 4C 1dyz -0.001635 -0.002849 0.000731 -0.001486 -0.001217 0.000205 4C 1dx2y2 -0.001569 0.009348 -0.002290 -0.005088 -0.000292 0.005425 4C 1dxy 0.008948 0.002228 -0.000283 0.002498 -0.004167 0.001920 4C 2dz2 0.108975 0.591401 0.108440 -0.168593 -0.030244 0.251900 4C 2dxz -0.177329 0.143260 0.036812 0.240990 0.366853 -0.308068 4C 2dyz -0.032978 0.555891 -0.648432 0.002438 0.209079 0.163890 4C 2dx2y2 -0.031858 0.157399 0.258503 -0.005186 0.065862 0.067306 4C 2dxy 0.117790 0.230474 -0.024011 0.204357 0.182732 -0.005662 4C 1f0 -0.000395 -0.014350 -0.005786 0.005835 0.000403 -0.007954 4C 1f+1 -0.007320 -0.023245 -0.000610 -0.002790 -0.005204 -0.002001 4C 1f-1 0.005217 -0.031015 0.020512 -0.001688 -0.009359 -0.009778 4C 1f+2 0.009868 0.018605 -0.016588 -0.005988 -0.001315 0.011804 4C 1f-2 -0.009002 -0.014132 0.007672 0.000491 -0.003282 -0.003036 4C 1f+3 0.009488 -0.005504 0.003338 -0.005585 -0.008374 0.006835 4C 1f-3 0.007276 -0.007449 0.009915 -0.005859 -0.006481 0.002955 5C 1s 0.000252 -0.014402 0.005188 0.001341 0.004112 -0.004020 5C 2s 0.000586 -0.032435 0.010048 0.002979 0.010313 -0.010275 5C 3s -0.003985 -0.239205 0.176527 -0.005256 0.020189 -0.020788 5C 4s -0.074133 2.369562 -1.219290 -0.146767 -0.510582 0.392606 5C 5s 0.170118 2.427112 -0.087583 -0.006585 -1.175553 0.942370 5C 1pz 0.023009 -0.078882 -0.061006 0.008334 -0.003329 0.008457 5C 1px 0.016859 -0.057543 0.012463 -0.019994 0.025819 -0.049108 5C 1py 0.023592 0.067725 -0.103919 0.006287 -0.002688 0.007084 5C 2pz 0.035991 -0.594409 0.116347 -0.099752 0.174094 0.035934 5C 2px 0.122058 -0.391392 0.149680 0.282718 -0.199245 -0.422831 5C 2py -0.031903 0.941500 -0.415255 0.064267 -0.208380 -0.019211 5C 3pz -0.083891 -0.301482 -0.116953 -0.046068 -0.554075 0.420815 5C 3px -0.545151 -0.166227 0.012062 -0.439555 0.171825 0.462753 5C 3py 0.544711 0.304751 -0.697834 0.251342 0.812234 -0.320749 5C 1dz2 -0.001842 -0.001952 0.004474 0.002489 0.002001 0.003236 5C 1dxz 0.003460 -0.003434 0.005347 -0.000478 -0.003544 0.001633 5C 1dyz -0.002915 0.001158 -0.002236 0.001499 -0.003450 -0.006068 5C 1dx2y2 -0.002898 0.011729 -0.004187 -0.001899 -0.001612 0.004349 5C 1dxy 0.005220 0.003390 0.000873 -0.004024 -0.003074 0.002141 5C 2dz2 -0.346869 -0.086226 0.462448 -0.047689 0.149557 0.001055 5C 2dxz 0.300199 0.199217 0.176767 0.025421 -0.154157 -0.021139 5C 2dyz 0.070770 -0.781585 0.116848 0.139764 0.037996 -0.293310 5C 2dx2y2 0.040474 -0.193752 0.352886 0.129682 -0.086607 -0.049355 5C 2dxy 0.238026 -0.338957 0.138417 -0.332242 0.309092 0.288715 5C 1f0 -0.005550 0.015330 -0.008318 0.004814 -0.006913 -0.003147 5C 1f+1 0.003034 -0.007500 -0.001473 -0.004902 0.003882 0.003830 5C 1f-1 0.001474 0.006080 0.010162 -0.000770 -0.001669 0.002627 5C 1f+2 0.002977 0.023122 -0.007459 -0.005956 0.000063 0.011138 5C 1f-2 -0.008143 0.025679 -0.011658 -0.003130 -0.000214 0.009461 5C 1f+3 -0.005971 -0.024523 0.016902 -0.005847 0.012074 0.001959 5C 1f-3 0.006067 0.009524 -0.016838 -0.001308 0.000170 0.008526 6C 1s 0.000188 -0.014490 0.005235 0.001547 0.003991 0.004350 6C 2s 0.000414 -0.032687 0.010214 0.003497 0.010020 0.011125 6C 3s -0.002980 -0.237370 0.172596 -0.004400 0.018727 0.021538 6C 4s -0.072839 2.365886 -1.198736 -0.166458 -0.489903 -0.429271 6C 5s 0.186174 2.427322 -0.092192 -0.046091 -1.141519 -1.014780 6C 1pz -0.023244 0.078489 0.061894 -0.007978 0.003188 0.009698 6C 1px -0.016874 0.058445 -0.012579 0.018632 -0.023909 -0.050493 6C 1py -0.023655 -0.067059 0.102995 -0.006044 0.002320 0.006498 6C 2pz -0.036092 0.593817 -0.114087 0.099117 -0.175809 0.028149 6C 2px -0.117717 0.395766 -0.149282 -0.296952 0.216121 -0.404443 6C 2py 0.033757 -0.938839 0.412925 -0.062667 0.208559 -0.011496 6C 3pz 0.083975 0.297788 0.114161 0.065700 0.529014 0.486001 6C 3px 0.546496 0.162839 -0.011402 0.456565 -0.195038 0.471830 6C 3py -0.541083 -0.297895 0.707829 -0.272248 -0.788791 -0.416549 6C 1dz2 -0.001865 -0.001928 0.004421 0.002417 0.002111 -0.003190 6C 1dxz 0.003473 -0.003364 0.005306 -0.000514 -0.003518 -0.001648 6C 1dyz -0.002963 0.001180 -0.002303 0.001701 -0.003698 0.005796 6C 1dx2y2 -0.002875 0.011727 -0.004106 -0.002087 -0.001373 -0.004491 6C 1dxy 0.005305 0.003333 0.000975 -0.004114 -0.002930 -0.002156 6C 2dz2 -0.345820 -0.082628 0.462968 -0.047760 0.150072 0.008363 6C 2dxz 0.304594 0.197747 0.178211 0.026580 -0.154618 0.019336 6C 2dyz 0.067409 -0.783995 0.113934 0.151360 0.027583 0.292345 6C 2dx2y2 0.042447 -0.191170 0.353494 0.130078 -0.090189 0.040447 6C 2dxy 0.242657 -0.337635 0.137012 -0.339376 0.320255 -0.264938 6C 1f0 0.005592 -0.015245 0.008261 -0.004890 0.006984 -0.002661 6C 1f+1 -0.003116 0.007444 0.001616 0.004979 -0.004069 0.003474 6C 1f-1 -0.001492 -0.006078 -0.010233 0.000867 0.001566 0.002606 6C 1f+2 -0.003028 -0.023067 0.007229 0.006351 -0.000522 0.010963 6C 1f-2 0.008134 -0.025820 0.011507 0.003519 -0.000099 0.009530 6C 1f+3 0.005911 0.024443 -0.016700 0.005803 -0.012154 0.001148 6C 1f-3 -0.006009 -0.009382 0.016594 0.001604 -0.000470 0.008595 7C 1s -0.000657 -0.012749 0.008695 0.001083 -0.004296 0.008603 7C 2s -0.001526 -0.027648 0.020077 0.002144 -0.011059 0.022461 7C 3s -0.025962 -0.278647 0.118730 0.009736 -0.017165 -0.018938 7C 4s 0.140038 2.356555 -1.432467 -0.210572 0.434654 -0.591234 7C 5s 0.853712 1.805161 -1.440168 0.103233 1.372026 -1.406730 7C 1pz -0.018729 0.115707 -0.002417 -0.005271 0.015215 0.002303 7C 1px 0.062863 0.056042 0.024159 0.013348 0.022546 -0.055657 7C 1py 0.010835 0.012852 -0.109620 0.017816 0.008317 -0.010476 7C 2pz -0.142218 0.891765 -0.549299 0.102973 0.361341 -0.027818 7C 2px 0.429185 0.217300 -0.034025 -0.293821 -0.231168 -0.406809 7C 2py 0.060556 0.527749 -0.457650 -0.043513 0.113122 -0.138008 7C 3pz -0.037794 0.759463 0.838541 0.217310 -0.490735 0.678590 7C 3px 0.251392 0.253540 0.205307 0.416027 0.355291 0.481419 7C 3py -0.002285 0.105234 0.162738 0.338939 -0.313071 0.296547 7C 1dz2 -0.004964 -0.005997 0.006503 0.002168 -0.002233 -0.003524 7C 1dxz 0.007312 -0.003481 0.006415 0.001398 0.003124 0.001776 7C 1dyz -0.001612 -0.002833 0.000839 -0.001485 -0.001220 -0.000384 7C 1dx2y2 -0.001296 0.009519 -0.002342 -0.005346 -0.000123 -0.005412 7C 1dxy 0.008914 0.002312 -0.000295 0.002407 -0.004084 -0.002219 7C 2dz2 0.111281 0.593554 0.112890 -0.175888 -0.019692 -0.237611 7C 2dxz -0.176942 0.139992 0.038614 0.247243 0.351734 0.318338 7C 2dyz -0.027196 0.558058 -0.648969 -0.005062 0.213188 -0.150093 7C 2dx2y2 -0.030315 0.153153 0.258141 -0.009395 0.067107 -0.071591 7C 2dxy 0.111578 0.233146 -0.024676 0.208290 0.187210 0.015730 7C 1f0 0.000456 0.014225 0.005844 -0.006028 -0.000107 -0.007511 7C 1f+1 0.007460 0.023209 0.000463 0.002698 0.005254 -0.001652 7C 1f-1 -0.004978 0.031292 -0.020511 0.001298 0.009744 -0.008971 7C 1f+2 -0.010145 -0.018888 0.016879 0.006339 0.000849 0.011430 7C 1f-2 0.009303 0.014156 -0.007561 -0.000634 0.003355 -0.002848 7C 1f+3 -0.009421 0.005567 -0.003323 0.005744 0.008110 0.006964 7C 1f-3 -0.007217 0.007572 -0.010267 0.005894 0.006356 0.003087 8C 1s 0.000247 0.007082 -0.004996 0.001147 -0.000494 -0.000112 8C 2s 0.000968 0.010759 -0.010542 0.003321 0.000166 0.001452 8C 3s -0.010860 0.238162 -0.070989 -0.031142 -0.055495 -0.049601 8C 4s 0.021091 -1.555114 0.702558 0.106344 0.229022 0.200753 8C 5s -0.600023 -1.367705 0.184149 -0.594937 0.010841 -0.305872 8C 1pz -0.003006 0.019534 -0.060307 0.012937 -0.034971 0.033027 8C 1px -0.029092 0.042188 -0.043652 -0.063369 0.028778 -0.049757 8C 1py -0.024956 -0.126167 0.027878 -0.010411 0.000202 0.023539 8C 2pz -0.206132 0.582311 -0.059455 -0.085488 -0.030086 -0.153891 8C 2px -0.227973 0.523099 -0.211770 0.369511 -0.367816 0.419416 8C 2py -0.133201 -1.137584 0.577325 0.107548 0.141070 0.288007 8C 3pz 0.059074 0.238778 -0.357351 0.267999 -0.258062 0.072034 8C 3px -0.322505 0.351231 -0.303882 -0.392107 0.550884 -0.321914 8C 3py -0.231721 -0.914506 0.116994 -0.124973 0.199902 -0.044761 8C 1dz2 0.001095 -0.006275 -0.010517 -0.000674 0.003250 0.005552 8C 1dxz -0.000024 0.001746 -0.005520 0.005736 -0.005773 0.007298 8C 1dyz 0.000426 -0.002186 0.005628 0.003185 -0.001789 -0.000402 8C 1dx2y2 0.000058 -0.008901 -0.000760 0.004262 -0.004115 0.003750 8C 1dxy -0.003075 -0.004588 0.002871 -0.005990 0.004435 0.003200 8C 2dz2 0.045604 0.276229 0.154636 -0.164657 0.109928 -0.213920 8C 2dxz -0.420819 -0.083333 0.260338 0.420095 -0.313001 0.631536 8C 2dyz 0.115177 0.703014 -0.710373 0.248271 -0.334029 0.203025 8C 2dx2y2 -0.307989 0.523183 0.248646 0.166748 -0.282599 0.150885 8C 2dxy -0.215386 0.377063 -0.046682 -0.292683 0.213202 -0.333084 8C 1f0 0.019908 -0.026252 -0.009448 -0.001007 0.004837 -0.000574 8C 1f+1 -0.003644 0.003354 -0.011097 0.013197 -0.009334 0.018351 8C 1f-1 -0.016606 -0.007423 0.023421 0.003074 0.000317 0.006499 8C 1f+2 -0.004771 -0.004033 0.001770 0.005780 -0.002028 0.002384 8C 1f-2 0.002466 -0.010687 0.011224 -0.006510 0.007316 -0.006193 8C 1f+3 0.017482 0.019511 -0.020926 -0.014239 0.006102 -0.020335 8C 1f-3 0.008289 -0.020217 0.010901 -0.018946 0.016528 -0.020930 9C 1s 0.000115 0.008268 -0.002460 0.001251 0.001017 0.000085 9C 2s 0.000095 0.014962 -0.001465 0.003467 0.000469 0.002924 9C 3s 0.011655 0.195753 -0.165558 -0.031831 0.078683 -0.076053 9C 4s -0.049211 -1.466880 0.901278 0.117566 -0.365229 0.303206 9C 5s -0.406966 -1.154999 -0.076856 -0.747921 -0.441729 -0.294891 9C 1pz 0.027508 0.092201 -0.071996 -0.002841 0.039674 -0.006723 9C 1px -0.016756 0.039938 -0.037151 -0.050767 -0.051508 -0.071360 9C 1py -0.015960 0.086912 0.011444 0.008273 -0.011553 -0.015401 9C 2pz 0.126542 1.102294 -0.581819 -0.106694 0.173278 -0.366548 9C 2px 0.009786 0.391012 -0.103141 0.312615 0.347832 0.392726 9C 2py -0.123091 0.557830 -0.569090 0.040166 0.267713 -0.050288 9C 3pz 0.197914 0.618797 -0.381806 0.315844 0.310934 -0.032960 9C 3px -0.088243 0.295635 -0.206526 -0.515427 -0.517143 -0.533354 9C 3py -0.053798 0.665406 0.029959 -0.045645 0.164479 0.035866 9C 1dz2 0.001228 -0.000050 -0.011487 -0.001380 -0.003977 0.002434 9C 1dxz 0.000290 0.003403 -0.004357 0.006328 0.006297 0.001353 9C 1dyz -0.000085 0.008875 0.001388 -0.002267 0.002083 -0.005969 9C 1dx2y2 0.001087 -0.007015 -0.004704 -0.001280 -0.000897 -0.001760 9C 1dxy -0.001751 -0.001016 -0.003347 0.005807 0.005157 0.000552 9C 2dz2 0.036035 -0.201872 0.594326 -0.206083 -0.246162 -0.097730 9C 2dxz 0.133964 0.161282 0.406685 0.407388 0.353876 0.556195 9C 2dyz 0.010932 -0.931829 0.291940 -0.089324 -0.304805 -0.037511 9C 2dx2y2 0.170843 0.317690 0.158849 -0.167138 -0.032999 -0.304380 9C 2dxy -0.179545 -0.314197 -0.043816 0.307126 0.236017 0.440351 9C 1f0 -0.011823 -0.008754 -0.018869 0.012629 0.013841 0.021266 9C 1f+1 0.007738 0.021772 0.001603 0.002186 0.003634 -0.002102 9C 1f-1 0.003306 0.027466 -0.016140 -0.009042 0.000598 -0.012588 9C 1f+2 -0.001283 -0.017518 -0.002653 -0.009054 -0.012133 -0.013915 9C 1f-2 -0.001157 -0.010282 -0.007634 -0.007648 -0.005180 -0.006606 9C 1f+3 -0.006717 0.007233 -0.022233 0.001678 0.006236 -0.002180 9C 1f-3 0.000998 0.020049 0.000441 0.011252 0.011246 0.013201 10H 1s -0.001060 0.000897 -0.015078 -0.011141 -0.001300 0.016620 10H 2s -0.069124 0.174229 0.118574 0.526229 0.517360 -0.851893 10H 3s 0.044091 -0.052790 0.004547 -0.348743 -0.389494 0.453732 10H 1pz 0.012611 0.015207 0.023911 0.045621 0.053043 -0.054232 10H 1px 0.002030 -0.006046 -0.007956 -0.022659 -0.027519 0.059918 10H 1py 0.000599 -0.001621 0.001097 0.030581 0.020419 -0.030151 11H 1s 0.012001 0.034598 -0.009220 0.006413 0.009617 0.012851 11H 2s -0.281048 -0.750782 -0.250269 -0.108830 -0.168583 0.131904 11H 3s 0.047889 0.043357 0.244583 0.163961 0.263155 -0.313861 11H 1pz -0.014284 -0.054681 -0.041166 -0.027656 -0.023267 0.011558 11H 1px -0.021036 -0.036755 -0.021256 -0.011410 -0.012778 0.009662 11H 1py 0.006648 0.025000 -0.000736 0.006064 -0.005674 -0.003449 12H 1s -0.010316 0.013618 -0.023878 0.015461 0.020176 0.000428 12H 2s 0.380968 0.024447 0.444258 -0.353990 -0.322905 0.553250 12H 3s 0.015142 -0.246383 -0.064384 0.397558 0.177564 -0.337958 12H 1pz -0.004940 0.017051 0.009957 -0.022244 -0.008047 0.002794 12H 1px 0.007960 0.007053 0.018141 -0.019112 -0.027459 0.029884 12H 1py 0.021366 0.013087 0.057200 -0.038355 -0.044274 0.044022 13H 1s 0.004470 0.011786 0.009784 -0.014159 0.003016 0.014900 13H 2s -0.188621 0.049395 -0.223690 0.567575 -0.440192 -0.874719 13H 3s -0.051282 -0.011139 0.115062 -0.283057 0.435505 0.408559 13H 1pz -0.015612 -0.002516 -0.012294 0.040578 -0.038623 -0.064259 13H 1px 0.003294 0.001673 0.012610 -0.023901 0.004865 0.043241 13H 1py -0.007653 0.003395 0.023950 -0.046913 0.038144 0.041060 14H 1s -0.029495 0.024464 0.002390 0.017866 -0.022050 -0.015372 14H 2s 0.712233 -0.273481 -0.190140 -0.449691 0.384286 0.762946 14H 3s 0.070537 0.013496 0.287130 0.260560 -0.335525 -0.402678 14H 1pz 0.036141 -0.025012 -0.023741 -0.031566 0.023220 0.033158 14H 1px 0.053061 -0.027058 -0.030356 -0.053184 0.034326 0.057584 14H 1py -0.002100 0.003020 0.021231 0.014989 -0.025973 -0.005023 15H 1s 0.014094 0.031221 -0.021238 0.003564 -0.006019 0.015998 15H 2s -0.485580 -0.310913 0.718894 -0.074788 0.050277 0.007520 15H 3s 0.118689 -0.145846 -0.120850 0.199756 -0.077402 -0.129501 15H 1pz 0.020024 0.020833 -0.026602 -0.001499 -0.004659 -0.003351 15H 1px -0.015239 0.001668 0.012723 -0.005231 -0.002829 0.002247 15H 1py 0.036387 0.004437 -0.070993 0.017569 -0.020994 -0.009906 16H 1s -0.009257 0.009181 -0.009601 -0.005470 -0.008241 -0.012944 16H 2s -0.012310 0.001165 -0.039595 0.015956 0.045850 0.066397 16H 3s 0.244575 0.021291 0.058254 -0.007380 -0.029873 -0.077406 16H 1pz 0.012472 -0.016734 0.017490 0.011033 0.019327 0.020348 16H 1px 0.041698 0.013990 0.000506 -0.004524 0.001175 -0.030404 16H 1py 0.012793 0.033577 -0.020060 0.007643 -0.008130 -0.024089 17H 1s 0.003763 0.009296 -0.005237 0.002988 -0.008934 -0.010661 17H 2s -0.015970 -0.001286 -0.070035 -0.007552 0.060261 0.061113 17H 3s 0.013186 -0.014666 -0.008173 0.000663 0.021623 -0.069847 17H 1pz 0.003834 0.018770 -0.009820 0.009286 -0.023733 0.000837 17H 1px -0.000226 0.018868 -0.010699 0.008297 -0.012829 -0.020750 17H 1py -0.000137 0.031417 -0.022811 -0.000495 -0.007721 -0.007368 18H 1s 0.003762 0.009031 -0.005112 0.002868 -0.009403 0.010466 18H 2s -0.015313 -0.001285 -0.070356 -0.009191 0.060822 -0.059066 18H 3s 0.005289 -0.016461 -0.007941 0.002855 0.018428 0.070824 18H 1pz -0.004403 -0.018713 0.009405 -0.008858 0.023460 0.002313 18H 1px 0.001313 -0.018099 0.010335 -0.008107 0.013524 -0.020823 18H 1py 0.000654 -0.032644 0.023372 0.000443 0.009071 -0.008248 19H 1s -0.009482 0.009334 -0.009538 -0.005343 -0.008757 0.012666 19H 2s -0.011188 0.002730 -0.038212 0.014326 0.047648 -0.065588 19H 3s 0.242327 0.020442 0.058773 -0.004825 -0.032617 0.075494 19H 1pz -0.012502 0.017812 -0.018002 -0.010604 -0.020039 0.021140 19H 1px -0.041332 -0.012906 -0.000935 0.003751 0.000078 -0.029865 19H 1py -0.013723 -0.033489 0.019794 -0.008389 0.007889 -0.024862 20H 1s 0.014607 0.031270 -0.021293 0.003036 -0.005699 -0.016601 20H 2s -0.490251 -0.308019 0.719847 -0.076615 0.055780 -0.006568 20H 3s 0.116207 -0.146751 -0.125012 0.210108 -0.086236 0.124013 20H 1pz -0.020232 -0.020673 0.026738 0.001517 0.005157 -0.003626 20H 1px 0.015632 -0.001688 -0.012858 0.005626 0.002317 0.002580 20H 1py -0.036396 -0.004260 0.071198 -0.018198 0.022090 -0.008457 21H 1s -0.029872 0.024747 0.002203 0.018182 -0.022588 0.013488 21H 2s 0.720986 -0.282802 -0.190169 -0.465987 0.413729 -0.725806 21H 3s 0.068896 0.013428 0.286274 0.271760 -0.353797 0.383421 21H 1pz -0.036713 0.025827 0.024071 0.032600 -0.024715 0.031031 21H 1px -0.053466 0.027672 0.030358 0.054353 -0.036473 0.053959 21H 1py 0.002046 -0.003040 -0.021209 -0.014860 0.026032 -0.003393 22H 1s 0.004626 0.011449 0.010028 -0.014439 0.003761 -0.014223 22H 2s -0.193474 0.054466 -0.229352 0.591685 -0.481353 0.836438 22H 3s -0.046929 -0.011500 0.112480 -0.295484 0.451677 -0.380719 22H 1pz 0.016281 0.002085 0.012192 -0.042085 0.041487 -0.061021 22H 1px -0.003597 -0.001596 -0.012864 0.025068 -0.006958 0.042587 22H 1py 0.007293 -0.003191 -0.024211 0.048252 -0.040143 0.038230 23H 1s -0.009664 0.013593 -0.023792 0.014976 0.019775 -0.000716 23H 2s 0.368690 0.032205 0.448326 -0.359502 -0.288624 -0.531460 23H 3s 0.009283 -0.252162 -0.062839 0.404503 0.164475 0.327702 23H 1pz 0.004746 -0.017056 -0.009609 0.021872 0.007630 0.002181 23H 1px -0.007311 -0.007393 -0.017715 0.019319 0.025058 0.029571 23H 1py -0.020853 -0.014064 -0.057640 0.039079 0.042043 0.043142 24H 1s 0.011923 0.034709 -0.008767 0.006413 0.010658 -0.012123 24H 2s -0.275689 -0.749478 -0.254103 -0.121514 -0.170732 -0.151086 24H 3s 0.042938 0.041680 0.249828 0.178414 0.257382 0.324113 24H 1pz 0.014122 0.054718 0.041648 0.028686 0.023711 0.012451 24H 1px 0.020815 0.037239 0.021522 0.013035 0.013132 0.011493 24H 1py -0.006364 -0.024410 0.001010 -0.005948 0.006294 -0.003086 25H 1s -0.001168 0.001063 -0.015242 -0.011457 -0.000412 -0.015101 25H 2s -0.069767 0.161327 0.121328 0.551424 0.479705 0.845422 25H 3s 0.046967 -0.047473 0.008780 -0.359722 -0.372402 -0.464552 25H 1pz -0.012225 -0.014082 -0.023696 -0.047289 -0.050863 -0.054977 25H 1px -0.002132 0.004987 0.007642 0.024729 0.024440 0.059876 25H 1py -0.000685 0.002413 -0.000615 -0.031277 -0.018879 -0.028924 26O 1s 0.005267 0.001638 0.003424 0.002867 0.000128 -0.002566 26O 2s 0.007796 0.003713 0.005533 0.001564 -0.003923 -0.002872 26O 3s 0.078166 0.005603 0.042590 0.098384 0.083001 -0.062459 26O 4s -0.684197 -0.034379 -0.445226 -0.605553 -0.352464 0.521303 26O 5s 2.077196 -0.402280 1.527364 0.653817 -0.334190 -1.298806 26O 1pz 0.045508 -0.023052 0.013749 -0.010835 -0.012318 0.025169 26O 1px -0.057218 -0.004326 -0.019322 -0.003263 0.006618 0.007080 26O 1py 0.002101 0.002515 -0.005474 -0.002096 0.009714 0.007032 26O 2pz -0.006923 -0.053469 -0.044898 -0.156798 -0.143627 0.093022 26O 2px -0.098031 0.037629 -0.068813 0.093615 0.121658 0.029865 26O 2py -0.056446 0.058301 0.036000 -0.037431 -0.026066 0.037699 26O 3pz 0.519560 0.109808 0.456725 0.420358 0.137798 -0.470438 26O 3px 0.109425 0.329793 -0.165863 0.102456 0.258423 -0.532088 26O 3py 0.115717 -0.020536 -0.136153 0.189577 0.249827 -0.426640 26O 1dz2 -0.000488 0.001681 0.000015 -0.000130 -0.001653 0.004975 26O 1dxz 0.002972 -0.002300 0.001093 -0.002312 -0.004914 0.004544 26O 1dyz -0.002466 0.001908 -0.002709 -0.001537 -0.000402 0.007204 26O 1dx2y2 0.001491 0.000930 -0.002994 0.002038 0.001442 -0.002882 26O 1dxy -0.002822 0.002376 0.000513 -0.001106 0.000864 0.001101 26O 2dz2 -0.042633 0.031475 -0.041229 -0.081800 -0.020289 0.003755 26O 2dxz 0.034760 -0.027951 -0.006624 0.010885 -0.008577 0.022900 26O 2dyz -0.055867 0.015623 -0.022267 -0.095735 -0.143031 0.012359 26O 2dx2y2 0.028993 -0.005575 -0.019437 -0.005827 -0.017796 0.007125 26O 2dxy -0.000417 -0.003832 0.015895 -0.070026 -0.012603 0.025375 26O 1f0 -0.001231 0.000906 -0.000690 -0.000126 0.000327 -0.000939 26O 1f+1 0.000856 -0.004259 -0.000306 -0.001081 -0.002653 -0.000247 26O 1f-1 -0.000010 -0.001979 -0.001076 -0.004468 -0.004917 -0.000828 26O 1f+2 0.001794 -0.000235 -0.000875 0.002107 -0.000119 0.002042 26O 1f-2 0.002412 -0.000651 0.001407 -0.001769 -0.001893 0.001231 26O 1f+3 0.000591 0.000004 0.003264 -0.002417 -0.001649 0.000554 26O 1f-3 -0.000340 -0.002061 0.001670 -0.001522 -0.001187 -0.000683 27O 1s 0.002737 0.000451 -0.002561 0.003849 0.001189 -0.001987 27O 2s 0.004891 0.001337 -0.005550 0.003702 0.006419 -0.001684 27O 3s 0.028413 -0.002783 -0.009580 0.100305 -0.072044 -0.058503 27O 4s -0.268164 0.073998 0.144709 -0.657580 0.222040 0.442963 27O 5s 0.384960 -0.673858 -0.208851 0.738211 0.665849 -0.882981 27O 1pz -0.030218 -0.003515 -0.007590 0.003319 0.000039 -0.006841 27O 1px 0.003750 0.000920 0.012224 -0.000458 -0.005751 -0.001757 27O 1py -0.024850 0.017862 -0.021020 0.013797 -0.006800 -0.031955 27O 2pz -0.027036 -0.051682 -0.079364 -0.097712 0.066047 0.010366 27O 2px 0.058250 0.029923 -0.043030 0.088185 -0.109793 0.024466 27O 2py 0.003911 0.020622 -0.052504 0.138838 -0.119394 -0.109172 27O 3pz -0.427779 0.004428 0.161605 0.313790 0.095483 -0.218176 27O 3px -0.209292 0.410974 -0.078717 0.134991 -0.350568 -0.760121 27O 3py -0.390090 -0.061890 0.182690 -0.330576 0.175941 0.464150 27O 1dz2 0.000488 -0.001520 0.001936 0.000862 0.001922 0.000272 27O 1dxz -0.006056 -0.003368 -0.002919 0.000275 0.002569 0.001022 27O 1dyz 0.001303 -0.002865 0.001671 -0.000600 0.001051 -0.004022 27O 1dx2y2 -0.002933 0.000737 -0.000278 0.002401 -0.001961 -0.007059 27O 1dxy -0.003707 -0.000430 -0.002059 0.003796 -0.001874 -0.006373 27O 2dz2 0.051499 -0.007412 0.003285 0.012683 -0.078885 -0.013097 27O 2dxz -0.028802 -0.026704 -0.018360 0.021709 0.022917 -0.003894 27O 2dyz 0.015171 -0.016945 0.027303 0.133008 -0.099540 -0.007032 27O 2dx2y2 0.006475 -0.027516 0.003113 0.015094 -0.036095 0.006837 27O 2dxy -0.010632 0.001154 -0.021067 0.071398 -0.020011 -0.038484 27O 1f0 0.001950 0.001589 0.001857 0.002837 -0.003972 -0.000407 27O 1f+1 0.000171 -0.002298 -0.000589 -0.000672 0.001557 -0.001181 27O 1f-1 -0.000222 0.000360 0.000423 0.000103 -0.000950 0.001015 27O 1f+2 -0.001134 -0.001355 -0.000990 0.002802 -0.001843 0.000862 27O 1f-2 0.001169 0.002111 0.001272 0.001044 -0.001888 0.000962 27O 1f+3 -0.000228 -0.002506 0.004376 -0.004886 0.003700 0.000723 27O 1f-3 0.001023 0.000186 -0.000437 0.000976 -0.000188 0.001770 28O 1s -0.005406 0.002221 0.002025 -0.001563 -0.006257 0.000320 28O 2s -0.008741 0.005067 0.003788 0.000344 -0.009590 -0.000539 28O 3s -0.062758 0.005807 0.016107 -0.076261 -0.092872 0.033219 28O 4s 0.625875 -0.055735 -0.233836 0.398975 0.749238 -0.194529 28O 5s -2.427585 -0.526972 0.896080 -0.002605 -1.097840 -0.738798 28O 1pz -0.014148 -0.014576 -0.007205 0.010931 0.013340 -0.004476 28O 1px -0.081123 -0.027393 0.002445 0.009039 0.001160 -0.040098 28O 1py -0.006589 0.004440 0.008256 -0.001473 0.004572 0.002739 28O 2pz 0.071098 -0.022586 -0.046672 0.086602 0.074917 -0.027960 28O 2px -0.137386 -0.131206 -0.009095 0.162130 0.145461 -0.116998 28O 2py 0.040500 0.046810 0.094180 0.066515 0.117523 -0.022823 28O 3pz -0.221019 0.339203 0.004488 -0.510941 -0.406189 1.027998 28O 3px -0.288299 -0.071162 0.330753 0.058866 -0.114727 -0.804688 28O 3py -0.127173 -0.163869 -0.057163 -0.105428 -0.475632 0.354642 28O 1dz2 -0.000782 -0.000951 -0.001901 0.000812 0.003008 -0.005786 28O 1dxz 0.000264 0.000231 0.002191 0.000921 0.000771 -0.005837 28O 1dyz 0.004836 0.003562 0.001470 0.000593 0.000150 -0.003665 28O 1dx2y2 0.001908 0.002606 -0.000854 -0.002921 -0.000510 0.006905 28O 1dxy 0.000011 0.000679 -0.005157 -0.000967 0.000711 -0.001006 28O 2dz2 0.012639 -0.000856 -0.023531 0.043526 0.035403 -0.011457 28O 2dxz 0.068749 0.028379 0.004531 0.031692 -0.012207 0.037658 28O 2dyz 0.046623 0.011087 0.011099 0.112325 0.115037 -0.001017 28O 2dx2y2 0.007033 0.002024 0.002981 0.047432 -0.004151 -0.007582 28O 2dxy 0.035562 0.010467 -0.023529 0.024606 0.087229 0.007610 28O 1f0 -0.002305 -0.004684 -0.002708 0.001182 0.002105 -0.001720 28O 1f+1 0.002023 0.001131 0.000910 0.000355 0.001133 0.001639 28O 1f-1 -0.001315 -0.000790 0.000977 0.004734 0.004769 -0.000803 28O 1f+2 0.001211 0.002771 -0.002033 -0.004358 -0.003569 0.000878 28O 1f-2 0.001065 -0.000415 -0.002529 0.002119 0.002896 0.000186 28O 1f+3 0.001039 0.000935 -0.002440 -0.000857 -0.000415 0.001105 28O 1f-3 -0.000169 -0.000522 -0.000972 -0.000682 -0.000673 0.000975 29O 1s -0.000802 -0.001005 0.001322 0.000165 0.000135 -0.013293 29O 2s -0.002738 -0.002035 0.002329 0.000457 -0.000169 -0.030378 29O 3s 0.017733 -0.001490 0.011438 -0.000979 0.012171 0.001381 29O 4s -0.047176 0.012248 -0.103160 -0.000858 -0.042852 0.652714 29O 5s 0.082031 0.113319 0.182796 -0.012840 -0.018302 -1.843945 29O 1pz 0.000820 -0.001757 -0.004172 -0.022847 -0.002037 0.022538 29O 1px 0.004601 -0.012238 0.006557 -0.002804 0.005000 -0.044165 29O 1py 0.008678 -0.008201 0.003919 0.003165 -0.019519 0.001899 29O 2pz 0.006857 0.009707 -0.009545 0.011142 0.006311 0.044323 29O 2px 0.022039 -0.038499 0.036933 0.004786 -0.007550 -0.101998 29O 2py 0.023894 -0.017437 0.015985 0.001548 0.008176 0.025868 29O 3pz -0.019982 0.013296 0.041188 0.023678 -0.007793 -0.296201 29O 3px -0.165473 -0.017160 -0.054333 0.005214 -0.030744 0.754590 29O 3py -0.176600 0.007859 -0.092647 -0.009801 0.077492 0.072144 29O 1dz2 0.000526 0.002160 -0.001809 0.000157 -0.000458 0.001236 29O 1dxz -0.001852 0.002007 -0.002012 0.000314 0.000125 0.001716 29O 1dyz -0.000381 0.000116 0.000160 0.000714 0.000222 -0.000083 29O 1dx2y2 0.000423 -0.002645 0.000877 0.000259 -0.000456 -0.001437 29O 1dxy -0.001409 -0.000696 0.000377 0.000154 -0.000172 0.000212 29O 2dz2 -0.017778 0.019861 -0.004596 0.013487 -0.022875 -0.009250 29O 2dxz 0.016926 -0.019723 0.020991 -0.028776 -0.029873 0.045107 29O 2dyz 0.001872 -0.015982 0.007228 -0.028243 0.010597 0.018134 29O 2dx2y2 -0.002246 0.080031 -0.039098 -0.006067 0.002192 -0.059777 29O 2dxy -0.006525 0.015960 -0.016370 0.003103 -0.030842 -0.014215 29O 1f0 0.001533 -0.000558 0.001072 -0.000242 0.001036 0.001583 29O 1f+1 0.000719 0.000018 -0.000343 -0.000927 -0.000715 -0.000298 29O 1f-1 0.001409 -0.001040 0.000627 0.000427 0.001081 0.001837 29O 1f+2 -0.002086 0.000832 -0.001035 0.000327 -0.000007 -0.001456 29O 1f-2 -0.000856 -0.000223 -0.000093 0.000014 0.000707 0.000135 29O 1f+3 -0.000388 0.002053 -0.000447 -0.000282 0.000227 -0.001099 29O 1f-3 0.002761 0.001095 0.000119 0.000401 -0.001569 -0.001158 30O 1s 0.002028 0.000302 -0.001416 -0.002388 0.005882 0.000592 30O 2s 0.004109 0.001852 -0.002757 -0.001551 0.008383 -0.000418 30O 3s 0.010362 -0.018442 -0.013589 -0.076084 0.099511 0.043268 30O 4s -0.175530 0.167257 0.098257 0.434680 -0.783397 -0.269618 30O 5s 0.628800 -1.016183 0.136208 -0.035631 1.436986 -0.405275 30O 1pz 0.041234 0.007442 -0.006808 -0.007530 -0.000364 0.015063 30O 1px 0.029841 -0.027662 0.009499 0.004716 0.005757 -0.028752 30O 1py 0.048547 0.007622 -0.011251 -0.013715 0.017325 0.012167 30O 2pz 0.041782 -0.004160 -0.128378 0.018530 -0.019071 0.030297 30O 2px 0.069306 -0.091935 0.057671 0.172925 -0.145480 -0.106754 30O 2py 0.079160 -0.026018 -0.037398 -0.087792 0.128908 0.048514 30O 3pz 0.508849 0.163427 0.340435 -0.356375 0.137914 0.648180 30O 3px 0.065409 -0.222368 0.042324 0.004948 0.345328 -0.575383 30O 3py -0.112016 -0.039703 0.176183 0.346274 -0.555847 -0.881760 30O 1dz2 0.006454 -0.003769 -0.001134 -0.000841 -0.000733 0.000187 30O 1dxz -0.004995 0.000409 0.001803 0.001506 -0.000262 -0.005032 30O 1dyz -0.000694 -0.002625 0.001805 0.000914 0.002226 0.002377 30O 1dx2y2 0.000764 0.001785 -0.000501 -0.003611 0.001318 0.007586 30O 1dxy -0.003459 -0.000574 0.002616 0.000228 0.000208 0.004382 30O 2dz2 -0.022007 -0.032802 -0.017074 -0.050350 0.046578 0.000768 30O 2dxz -0.061261 0.012751 -0.001100 0.051759 0.022333 0.022255 30O 2dyz 0.006474 -0.002550 -0.001081 -0.121877 0.102558 0.023823 30O 2dx2y2 -0.021775 -0.010250 -0.006801 0.006647 0.021678 0.007271 30O 2dxy -0.039060 -0.024967 0.017829 -0.033909 0.085877 -0.028401 30O 1f0 0.001549 -0.001682 -0.001218 -0.002073 0.001654 -0.000433 30O 1f+1 -0.003756 0.000596 0.001280 -0.000928 0.000492 0.000163 30O 1f-1 -0.002405 0.002135 0.003036 0.000552 0.001108 -0.000676 30O 1f+2 -0.000991 0.002781 -0.001489 -0.004569 0.003848 0.002762 30O 1f-2 0.000773 0.000750 -0.001529 -0.003759 0.003915 0.000534 30O 1f+3 0.001628 0.000754 -0.001767 0.001110 -0.002411 0.001053 30O 1f-3 -0.000662 0.002489 -0.003031 -0.002130 0.001388 0.001117 31O 1s 0.002014 0.000285 -0.001430 -0.002414 0.005846 -0.000122 31O 2s 0.004071 0.001813 -0.002804 -0.001570 0.008248 0.001108 31O 3s 0.010491 -0.018374 -0.013261 -0.077149 0.100864 -0.035724 31O 4s -0.175211 0.167757 0.097884 0.441580 -0.789196 0.208316 31O 5s 0.618894 -1.024832 0.130440 -0.015019 1.409158 0.532989 31O 1pz -0.041640 -0.007535 0.007222 0.007781 -0.000190 0.014886 31O 1px -0.029805 0.028122 -0.009668 -0.005762 -0.004586 -0.029366 31O 1py -0.048786 -0.006778 0.010844 0.013944 -0.017966 0.010334 31O 2pz -0.041809 0.003842 0.129464 -0.017890 0.018317 0.033477 31O 2px -0.068659 0.092737 -0.057041 -0.176589 0.149455 -0.096757 31O 2py -0.079967 0.028209 0.036880 0.088762 -0.131689 0.037644 31O 3pz -0.519004 -0.165035 -0.347492 0.379292 -0.165760 0.627291 31O 3px -0.060257 0.226921 -0.040292 -0.024595 -0.318612 -0.608864 31O 3py 0.118593 0.036929 -0.171609 -0.375502 0.594273 -0.840305 31O 1dz2 0.006488 -0.003823 -0.001143 -0.000821 -0.000730 -0.000119 31O 1dxz -0.005057 0.000395 0.001799 0.001659 -0.000487 0.005011 31O 1dyz -0.000706 -0.002644 0.001813 0.000863 0.002340 -0.002197 31O 1dx2y2 0.000819 0.001789 -0.000487 -0.003828 0.001645 -0.007415 31O 1dxy -0.003439 -0.000528 0.002633 0.000074 0.000401 -0.004427 31O 2dz2 -0.021971 -0.032545 -0.017042 -0.050367 0.046724 0.002645 31O 2dxz -0.061340 0.013592 -0.000896 0.050843 0.023297 -0.023292 31O 2dyz 0.006727 -0.002898 -0.000605 -0.122151 0.103414 -0.015475 31O 2dx2y2 -0.021931 -0.009854 -0.006700 0.006586 0.021813 -0.006177 31O 2dxy -0.039157 -0.025046 0.017795 -0.032867 0.084943 0.033151 31O 1f0 -0.001545 0.001682 0.001255 0.002049 -0.001631 -0.000553 31O 1f+1 0.003758 -0.000627 -0.001282 0.000937 -0.000508 0.000154 31O 1f-1 0.002417 -0.002148 -0.003057 -0.000570 -0.001080 -0.000706 31O 1f+2 0.000959 -0.002789 0.001453 0.004657 -0.003971 0.002482 31O 1f-2 -0.000783 -0.000726 0.001483 0.003779 -0.003942 0.000281 31O 1f+3 -0.001631 -0.000746 0.001790 -0.001082 0.002355 0.001209 31O 1f-3 0.000666 -0.002468 0.002986 0.002163 -0.001437 0.000978 32O 1s -0.000877 -0.001080 0.001313 0.000568 -0.000425 0.013345 32O 2s -0.002896 -0.002200 0.002317 0.001358 -0.001448 0.030492 32O 3s 0.017543 -0.001588 0.011239 -0.000533 0.012193 -0.001152 32O 4s -0.042492 0.016417 -0.101761 -0.022697 -0.015522 -0.655413 32O 5s 0.068955 0.102541 0.179476 0.044746 -0.094457 1.846871 32O 1pz -0.000797 0.001407 0.004118 0.023557 0.001133 0.021672 32O 1px -0.004035 0.012212 -0.006480 0.001273 -0.003111 -0.044983 32O 1py -0.008553 0.008193 -0.004038 -0.002986 0.019347 0.002806 32O 2pz -0.007029 -0.009618 0.009532 -0.009694 -0.007694 0.043169 32O 2px -0.020421 0.039365 -0.036906 -0.007619 0.011777 -0.102190 32O 2py -0.024289 0.017440 -0.015950 -0.001907 -0.009347 0.025642 32O 3pz 0.021017 -0.014041 -0.043354 -0.033551 0.019851 -0.292344 32O 3px 0.154684 0.011057 0.053697 0.017353 -0.001779 0.758001 32O 3py 0.175561 -0.008637 0.090799 0.013189 -0.078024 0.070864 32O 1dz2 0.000577 0.002215 -0.001823 0.000092 -0.000405 -0.001259 32O 1dxz -0.001835 0.002020 -0.002025 0.000245 0.000188 -0.001698 32O 1dyz -0.000415 0.000182 0.000108 0.000732 0.000186 0.000023 32O 1dx2y2 0.000420 -0.002642 0.000865 0.000270 -0.000515 0.001462 32O 1dxy -0.001423 -0.000671 0.000355 0.000145 -0.000157 -0.000216 32O 2dz2 -0.018189 0.020306 -0.005030 0.013868 -0.023021 0.008639 32O 2dxz 0.017625 -0.018919 0.021627 -0.030553 -0.027793 -0.044938 32O 2dyz 0.001574 -0.013784 0.006014 -0.028686 0.009810 -0.016024 32O 2dx2y2 -0.002319 0.080389 -0.039116 -0.004211 -0.000215 0.062437 32O 2dxy -0.006089 0.018090 -0.016906 0.003781 -0.032138 0.013237 32O 1f0 -0.001484 0.000503 -0.001016 0.000288 -0.001011 0.001391 32O 1f+1 -0.000737 -0.000056 0.000340 0.000930 0.000803 -0.000355 32O 1f-1 -0.001475 0.001052 -0.000638 -0.000396 -0.001200 0.001852 32O 1f+2 0.002067 -0.000875 0.001063 -0.000344 0.000145 -0.001513 32O 1f-2 0.000922 0.000213 0.000123 -0.000048 -0.000692 0.000091 32O 1f+3 0.000468 -0.002008 0.000445 0.000306 -0.000229 -0.001103 32O 1f-3 -0.002768 -0.001109 -0.000128 -0.000443 0.001610 -0.001082 33O 1s -0.005492 0.002191 0.002031 -0.001555 -0.006231 -0.000740 33O 2s -0.008943 0.005014 0.003823 0.000386 -0.009588 -0.000346 33O 3s -0.062581 0.005555 0.015619 -0.076978 -0.091426 -0.034739 33O 4s 0.630213 -0.052952 -0.232195 0.402057 0.739962 0.224034 33O 5s -2.454316 -0.541971 0.903572 0.028138 -1.124378 0.666642 33O 1pz 0.013576 0.015166 0.006778 -0.010485 -0.013113 -0.004220 33O 1px 0.081355 0.027774 -0.002160 -0.010262 0.000665 -0.039182 33O 1py 0.007040 -0.004599 -0.008499 0.001006 -0.005436 0.001638 33O 2pz -0.071766 0.024289 0.046322 -0.086758 -0.073545 -0.026243 33O 2px 0.139027 0.132871 0.008596 -0.165383 -0.140625 -0.118053 33O 2py -0.039352 -0.046899 -0.095078 -0.068576 -0.118227 -0.027778 33O 3pz 0.210906 -0.344701 0.006574 0.541443 0.365087 1.025346 33O 3px 0.298906 0.075295 -0.334231 -0.085011 0.147622 -0.793128 33O 3py 0.128246 0.160435 0.063977 0.118432 0.462703 0.375422 33O 1dz2 -0.000771 -0.001071 -0.001937 0.000929 0.002703 0.005722 33O 1dxz 0.000173 0.000222 0.002220 0.001110 0.000533 0.005870 33O 1dyz 0.004762 0.003553 0.001460 0.000737 0.000060 0.003698 33O 1dx2y2 0.001987 0.002659 -0.000854 -0.003151 -0.000238 -0.006804 33O 1dxy 0.000080 0.000622 -0.005139 -0.000977 0.000618 0.001030 33O 2dz2 0.012334 -0.000913 -0.023049 0.043663 0.034627 0.010966 33O 2dxz 0.069094 0.028794 0.004826 0.030539 -0.010468 -0.038330 33O 2dyz 0.046283 0.011388 0.011228 0.112461 0.115052 0.002819 33O 2dx2y2 0.006114 0.001709 0.003291 0.047756 -0.004019 0.006450 33O 2dxy 0.035920 0.010038 -0.023275 0.024230 0.087157 -0.004533 33O 1f0 0.002343 0.004742 0.002706 -0.001210 -0.002009 -0.001660 33O 1f+1 -0.002026 -0.001146 -0.000948 -0.000296 -0.001197 0.001601 33O 1f-1 0.001351 0.000818 -0.000969 -0.004763 -0.004741 -0.000892 33O 1f+2 -0.001280 -0.002814 0.002067 0.004415 0.003575 0.000905 33O 1f-2 -0.001091 0.000446 0.002524 -0.002086 -0.002883 0.000138 33O 1f+3 -0.001096 -0.000970 0.002461 0.000894 0.000381 0.001057 33O 1f-3 0.000128 0.000525 0.000964 0.000728 0.000641 0.001012 34O 1s 0.002663 0.000463 -0.002592 0.003900 0.001034 0.002129 34O 2s 0.004757 0.001380 -0.005628 0.003724 0.006193 0.002226 34O 3s 0.027676 -0.003139 -0.009383 0.102188 -0.074736 0.054182 34O 4s -0.260813 0.074843 0.145769 -0.671141 0.246035 -0.434978 34O 5s 0.371997 -0.673548 -0.216984 0.770611 0.615067 0.967320 34O 1pz 0.030752 0.003555 0.007657 -0.003403 0.000112 -0.006483 34O 1px -0.003873 -0.000454 -0.012362 0.000597 0.005602 -0.000635 34O 1py 0.025585 -0.017992 0.021273 -0.014687 0.008270 -0.031269 34O 2pz 0.027961 0.051929 0.079519 0.098412 -0.066789 0.006791 34O 2px -0.058039 -0.029081 0.041867 -0.086807 0.108767 0.034765 34O 2py -0.002222 -0.020366 0.053292 -0.142034 0.123820 -0.102315 34O 3pz 0.430229 -0.007159 -0.160698 -0.321326 -0.083561 -0.226490 34O 3px 0.216177 -0.407978 0.075758 -0.154500 0.381285 -0.732232 34O 3py 0.384599 0.060128 -0.185935 0.343492 -0.198503 0.465170 34O 1dz2 0.000483 -0.001499 0.001933 0.000863 0.001921 -0.000141 34O 1dxz -0.006131 -0.003356 -0.002937 0.000246 0.002627 -0.000990 34O 1dyz 0.001302 -0.002860 0.001653 -0.000476 0.000864 0.004187 34O 1dx2y2 -0.003004 0.000707 -0.000258 0.002588 -0.002239 0.006835 34O 1dxy -0.003803 -0.000445 -0.002068 0.003981 -0.002148 0.006218 34O 2dz2 0.052060 -0.007453 0.003786 0.012800 -0.079565 0.009484 34O 2dxz -0.028986 -0.026666 -0.018571 0.021837 0.022771 0.003649 34O 2dyz 0.014903 -0.017035 0.027459 0.133508 -0.099518 -0.000517 34O 2dx2y2 0.007073 -0.026920 0.002631 0.014861 -0.035888 -0.008345 34O 2dxy -0.011266 0.000719 -0.020872 0.072753 -0.021435 0.035548 34O 1f0 -0.001967 -0.001578 -0.001889 -0.002852 0.003969 -0.000141 34O 1f+1 -0.000183 0.002292 0.000625 0.000635 -0.001504 -0.001266 34O 1f-1 0.000232 -0.000352 -0.000408 -0.000087 0.000904 0.001054 34O 1f+2 0.001138 0.001339 0.001013 -0.002773 0.001803 0.001041 34O 1f-2 -0.001189 -0.002111 -0.001286 -0.001023 0.001847 0.001035 34O 1f+3 0.000195 0.002456 -0.004328 0.004905 -0.003702 0.000406 34O 1f-3 -0.001034 -0.000202 0.000433 -0.000926 0.000116 0.001802 35O 1s 0.005153 0.001561 0.003409 0.002962 0.000050 0.002396 35O 2s 0.007562 0.003574 0.005528 0.001682 -0.003992 0.002419 35O 3s 0.077600 0.004925 0.041896 0.100396 0.080742 0.063699 35O 4s -0.674776 -0.026519 -0.441421 -0.622884 -0.334315 -0.516435 35O 5s 2.057438 -0.419404 1.527984 0.696651 -0.381290 1.259161 35O 1pz -0.045379 0.022353 -0.013463 0.011142 0.011125 0.024585 35O 1px 0.057534 0.003551 0.019356 0.003132 -0.006961 0.006019 35O 1py -0.002691 -0.002536 0.005592 0.002779 -0.009382 0.007025 35O 2pz 0.006739 0.051156 0.045725 0.158717 0.139628 0.094030 35O 2px 0.098587 -0.039084 0.070058 -0.093203 -0.123733 0.026835 35O 2py 0.055440 -0.059057 -0.034863 0.039570 0.025534 0.039832 35O 3pz -0.510558 -0.096194 -0.456333 -0.435875 -0.121353 -0.462445 35O 3px -0.105450 -0.324313 0.172366 -0.116665 -0.234383 -0.542326 35O 3py -0.112724 0.031418 0.137917 -0.201940 -0.232623 -0.432170 35O 1dz2 -0.000471 0.001734 0.000035 -0.000260 -0.001422 -0.004985 35O 1dxz 0.002944 -0.002267 0.001070 -0.002395 -0.004677 -0.004689 35O 1dyz -0.002412 0.001957 -0.002729 -0.001755 -0.000116 -0.007224 35O 1dx2y2 0.001402 0.000972 -0.003003 0.002177 0.001361 0.003024 35O 1dxy -0.002742 0.002350 0.000486 -0.001194 0.000854 -0.001144 35O 2dz2 -0.042339 0.031733 -0.041153 -0.082059 -0.020252 -0.001850 35O 2dxz 0.034571 -0.028234 -0.006157 0.010373 -0.007405 -0.023695 35O 2dyz -0.056096 0.016312 -0.022372 -0.096183 -0.142624 -0.016030 35O 2dx2y2 0.028643 -0.006054 -0.019017 -0.005736 -0.017245 -0.007284 35O 2dxy -0.000122 -0.004437 0.016539 -0.070937 -0.011818 -0.024946 35O 1f0 0.001239 -0.000903 0.000673 0.000080 -0.000294 -0.001013 35O 1f+1 -0.000808 0.004295 0.000273 0.001038 0.002654 -0.000135 35O 1f-1 0.000056 0.002008 0.001077 0.004417 0.004953 -0.000797 35O 1f+2 -0.001814 0.000212 0.000859 -0.002058 0.000002 0.002109 35O 1f-2 -0.002401 0.000650 -0.001410 0.001799 0.001837 0.001261 35O 1f+3 -0.000579 0.000036 -0.003285 0.002436 0.001641 0.000626 35O 1f-3 0.000404 0.002106 -0.001704 0.001485 0.001213 -0.000649 288 289 290 291 292 293 1.16085 1.18029 1.21627 1.22281 1.24359 1.25311 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s -0.000495 0.006943 0.000040 0.000029 0.000042 -0.000031 0Rh 2s 0.001402 -0.021421 -0.000017 0.000443 -0.000203 -0.000112 0Rh 3s -0.002032 0.027432 0.000223 0.000444 0.000120 -0.000250 0Rh 4s -0.006275 0.096971 0.000026 -0.002268 0.000955 0.000592 0Rh 5s -0.000023 -0.022562 0.001199 0.006809 -0.001083 -0.002294 0Rh 6s 0.039894 -0.522307 -0.005085 -0.013888 -0.001628 0.004824 0Rh 7s -0.183965 2.299334 -0.039629 0.125030 -0.030196 -0.046330 0Rh 8s 0.058375 -0.570201 0.244734 0.391732 0.011478 -0.306022 0Rh 1pz 0.001891 0.001108 0.007138 -0.011836 0.008685 -0.017849 0Rh 1px 0.001209 -0.008548 -0.003632 -0.004047 -0.004152 -0.011148 0Rh 1py 0.005392 -0.001438 0.010014 0.008842 0.014742 0.005141 0Rh 2pz -0.006284 -0.003979 -0.024133 0.040818 -0.029584 0.058838 0Rh 2px -0.004125 0.029284 0.012459 0.013894 0.013758 0.037176 0Rh 2py -0.017904 0.004902 -0.034901 -0.029778 -0.048892 -0.017091 0Rh 3pz -0.000894 0.005915 0.005633 -0.026234 0.010945 0.019923 0Rh 3px 0.001915 -0.015158 -0.006888 -0.007092 0.002504 0.002593 0Rh 3py -0.002586 -0.002115 0.029953 0.004246 -0.009729 -0.002694 0Rh 4pz 0.039033 -0.001553 0.109220 -0.116973 0.120520 -0.412582 0Rh 4px 0.014504 -0.102704 -0.039271 -0.051192 -0.083967 -0.214891 0Rh 4py 0.110136 -0.018548 0.069885 0.146834 0.312460 0.107382 0Rh 5pz -0.062431 0.002474 -0.128959 0.087881 -0.153521 0.641657 0Rh 5px -0.015898 0.158413 0.035353 0.079653 0.107786 0.290365 0Rh 5py -0.170207 0.027785 -0.019636 -0.185789 -0.454953 -0.160080 0Rh 6pz 0.112558 -0.052687 -0.625807 1.459827 -0.139068 -0.585236 0Rh 6px -0.015302 0.187808 0.188801 -0.376579 0.267458 0.476543 0Rh 6py -0.076804 -0.001641 -1.454703 -0.626661 -0.237675 -0.007124 0Rh 1dz2 -0.013624 0.034656 -0.014080 0.026149 0.012810 -0.009537 0Rh 1dxz 0.008540 0.049689 0.014242 -0.041230 0.016625 0.004017 0Rh 1dyz -0.036125 0.007194 -0.036102 -0.000997 0.059564 -0.031901 0Rh 1dx2y2 0.007475 -0.066648 -0.015434 -0.008197 0.011839 -0.011081 0Rh 1dxy -0.014689 -0.031509 0.034148 0.016982 0.027182 -0.010878 0Rh 2dz2 0.001882 -0.005979 0.002960 -0.005277 -0.002277 0.002673 0Rh 2dxz -0.001515 -0.009147 -0.002705 0.009178 -0.003348 -0.002747 0Rh 2dyz 0.004522 -0.001513 0.007650 0.000255 -0.012184 0.005229 0Rh 2dx2y2 -0.001732 0.012162 0.003381 0.001289 -0.002851 0.001562 0Rh 2dxy 0.002632 0.006074 -0.007430 -0.003193 -0.003583 0.002671 0Rh 3dz2 0.021812 -0.049374 0.018119 -0.034878 -0.018197 0.009482 0Rh 3dxz -0.012063 -0.068611 -0.019738 0.051174 -0.022389 0.003175 0Rh 3dyz 0.059850 -0.009074 0.046139 0.001246 -0.078453 0.047779 0Rh 3dx2y2 -0.008551 0.092178 0.019356 0.012813 -0.013783 0.017601 0Rh 3dxy 0.021002 0.042430 -0.043355 -0.023541 -0.044486 0.012360 0Rh 4dz2 0.027888 -0.119275 0.053555 -0.093725 -0.044494 0.046148 0Rh 4dxz -0.028142 -0.176712 -0.048343 0.164087 -0.059917 -0.046011 0Rh 4dyz 0.069116 -0.029287 0.139598 0.003068 -0.223879 0.100088 0Rh 4dx2y2 -0.036030 0.236461 0.059604 0.019483 -0.050800 0.032741 0Rh 4dxy 0.038368 0.114707 -0.129939 -0.059660 -0.071760 0.048497 0Rh 5dz2 0.106453 0.424063 -0.149762 0.231381 0.132990 -0.161325 0Rh 5dxz 0.051844 0.605826 0.110434 -0.487867 0.160981 0.240159 0Rh 5dyz 0.282714 0.118276 -0.416454 0.012670 0.657343 -0.239796 0Rh 5dx2y2 0.183802 -0.828954 -0.165951 0.024257 0.164296 -0.086138 0Rh 5dxy 0.085263 -0.381981 0.341789 0.165993 0.119131 -0.172767 0Rh 1f0 0.005625 -0.005743 0.011871 0.016115 0.002078 -0.001285 0Rh 1f+1 -0.017591 0.000746 0.007714 -0.020107 0.015529 0.001513 0Rh 1f-1 0.006619 0.003107 0.036286 -0.012393 0.006751 0.004229 0Rh 1f+2 0.009581 0.004528 -0.001452 0.024420 0.002311 0.021647 0Rh 1f-2 -0.033992 0.001570 0.020597 0.011788 0.026927 0.000465 0Rh 1f+3 0.002784 0.007254 -0.003713 -0.032305 0.001060 0.006919 0Rh 1f-3 0.020759 0.005236 0.019468 -0.001325 0.002499 0.015384 1Rh 1s -0.000480 0.006930 -0.000007 -0.000032 -0.000085 -0.000050 1Rh 2s 0.001318 -0.021356 -0.000091 -0.000419 0.000320 0.000398 1Rh 3s -0.001999 0.027396 -0.000098 -0.000446 -0.000299 -0.000046 1Rh 4s -0.005875 0.096671 0.000470 0.002150 -0.001482 -0.001923 1Rh 5s -0.000571 -0.022224 -0.001438 -0.006551 0.001054 0.003268 1Rh 6s 0.039610 -0.521825 0.003016 0.013400 0.005109 -0.000987 1Rh 7s -0.184469 2.300808 0.044747 -0.118448 0.018909 0.040556 1Rh 8s 0.045182 -0.553377 -0.243619 -0.400731 -0.009175 0.298143 1Rh 1pz -0.001768 -0.001093 0.007085 -0.011827 0.008715 -0.017634 1Rh 1px -0.001401 0.008475 -0.003515 -0.004171 -0.004246 -0.011702 1Rh 1py -0.005353 0.001435 0.010004 0.008794 0.014806 0.005001 1Rh 2pz 0.005860 0.003926 -0.023955 0.040787 -0.029686 0.058127 1Rh 2px 0.004772 -0.029036 0.012071 0.014302 0.014078 0.039016 1Rh 2py 0.017758 -0.004887 -0.034865 -0.029615 -0.049108 -0.016624 1Rh 3pz 0.001125 -0.005839 0.005618 -0.026224 0.010942 0.019763 1Rh 3px -0.002024 0.015021 -0.006918 -0.006955 0.002423 0.002818 1Rh 3py 0.002898 0.001992 0.029906 0.004269 -0.009701 -0.002678 1Rh 4pz -0.037603 0.001466 0.108302 -0.116845 0.121125 -0.407971 1Rh 4px -0.017682 0.102077 -0.036977 -0.053982 -0.085534 -0.226002 1Rh 4py -0.110704 0.019004 0.069865 0.145850 0.313627 0.104687 1Rh 5pz 0.060317 -0.001549 -0.127636 0.087641 -0.154626 0.634279 1Rh 5px 0.021210 -0.159261 0.031515 0.083938 0.111003 0.307309 1Rh 5py 0.172852 -0.028912 -0.019564 -0.184411 -0.457233 -0.155490 1Rh 6pz -0.104085 0.035924 -0.622711 1.465573 -0.141058 -0.571764 1Rh 6px -0.022185 -0.143250 0.200017 -0.383540 0.251463 0.453627 1Rh 6py 0.028155 0.011188 -1.464560 -0.624762 -0.211446 -0.037014 1Rh 1dz2 -0.013413 0.034301 0.014502 -0.025966 -0.013029 0.009184 1Rh 1dxz 0.008713 0.049439 -0.014142 0.041135 -0.017196 -0.004415 1Rh 1dyz -0.036009 0.006722 0.036708 0.001227 -0.059155 0.032005 1Rh 1dx2y2 0.007037 -0.066364 0.014866 0.008202 -0.010890 0.011495 1Rh 1dxy -0.015042 -0.031516 -0.034031 -0.016785 -0.026992 0.011566 1Rh 2dz2 0.001815 -0.005886 -0.003039 0.005229 0.002294 -0.002637 1Rh 2dxz -0.001555 -0.009092 0.002697 -0.009162 0.003455 0.002769 1Rh 2dyz 0.004493 -0.001391 -0.007773 -0.000307 0.012071 -0.005257 1Rh 2dx2y2 -0.001607 0.012085 -0.003285 -0.001283 0.002686 -0.001612 1Rh 2dxy 0.002712 0.006062 0.007398 0.003145 0.003522 -0.002780 1Rh 3dz2 0.021650 -0.049011 -0.018703 0.034683 0.018604 -0.008866 1Rh 3dxz -0.012258 -0.068320 0.019558 -0.051036 0.023185 -0.002399 1Rh 3dyz 0.059727 -0.008578 -0.046942 -0.001525 0.078045 -0.047888 1Rh 3dx2y2 -0.008157 0.091912 -0.018529 -0.012852 0.012412 -0.018289 1Rh 3dxy 0.021425 0.042500 0.043230 0.023316 0.044332 -0.013410 1Rh 4dz2 0.026625 -0.117565 -0.055015 0.092909 0.044914 -0.045240 1Rh 4dxz -0.029033 -0.175611 0.048114 -0.163781 0.061959 0.046785 1Rh 4dyz 0.068552 -0.027065 -0.141746 -0.003982 0.221824 -0.100604 1Rh 4dx2y2 -0.033614 0.235010 -0.057699 -0.019384 0.047557 -0.033917 1Rh 4dxy 0.039826 0.114534 0.129460 0.058827 0.070698 -0.050681 1Rh 5dz2 0.112754 0.416929 0.153750 -0.228728 -0.133163 0.158685 1Rh 5dxz 0.056675 0.601131 -0.109402 0.487301 -0.167654 -0.242737 1Rh 5dyz 0.285875 0.109499 0.421665 -0.009574 -0.648078 0.242387 1Rh 5dx2y2 0.172584 -0.822481 0.160121 -0.025001 -0.153764 0.090365 1Rh 5dxy 0.080875 -0.380942 -0.341072 -0.163486 -0.113966 0.179121 1Rh 1f0 -0.005018 0.005474 0.011928 0.016272 0.001929 -0.000758 1Rh 1f+1 0.017562 -0.000439 0.007660 -0.020258 0.015464 0.001347 1Rh 1f-1 -0.006227 -0.002955 0.036497 -0.012382 0.006514 0.004252 1Rh 1f+2 -0.009498 -0.004065 -0.001272 0.024353 0.001968 0.021382 1Rh 1f-2 0.034481 -0.001509 0.020551 0.011682 0.026717 0.000422 1Rh 1f+3 -0.003369 -0.006637 -0.003641 -0.032559 0.001099 0.006360 1Rh 1f-3 -0.020800 -0.004932 0.019759 -0.001376 0.002371 0.015270 2C 1s -0.001110 -0.003559 -0.004677 0.003823 -0.004209 0.002703 2C 2s -0.010497 -0.008068 -0.006483 0.005455 -0.007251 0.007624 2C 3s 0.330372 -0.023818 -0.186111 0.120693 -0.130470 -0.023013 2C 4s -1.396026 0.460919 1.142709 -0.729820 1.028083 -0.275605 2C 5s 2.266170 3.043078 0.895787 -0.071264 1.760737 -2.350808 2C 1pz -0.027442 0.036595 0.084417 -0.089483 0.061900 -0.058946 2C 1px 0.025864 -0.022384 0.085351 -0.085086 -0.068515 0.041769 2C 1py -0.048838 0.033350 0.063859 0.012909 0.083937 0.038351 2C 2pz -0.964578 0.228458 0.716129 -0.392459 0.467716 -0.060279 2C 2px -0.008826 -0.017804 0.189808 -0.183982 0.303852 0.008641 2C 2py -0.576327 0.171952 0.314019 -0.443549 0.332088 -0.135655 2C 3pz -0.010239 0.733320 0.326660 -0.407399 0.758466 -0.403554 2C 3px 0.225353 0.196018 0.536981 -0.448066 0.031228 0.144059 2C 3py -0.120534 0.479237 0.581946 0.085180 0.222762 -0.442609 2C 1dz2 0.000499 -0.003363 -0.014592 0.008609 0.006926 0.017981 2C 1dxz -0.006151 0.002114 -0.009806 0.008287 0.002237 0.003671 2C 1dyz 0.008703 -0.006554 -0.006346 0.004975 -0.017645 -0.005317 2C 1dx2y2 0.003838 -0.002076 0.000104 -0.004375 0.014531 0.013029 2C 1dxy 0.002697 -0.002008 -0.002820 0.002985 0.000475 0.004145 2C 2dz2 -0.321187 0.063550 0.113338 -0.393434 0.173724 -0.132160 2C 2dxz -0.369382 0.133646 0.014249 -0.091517 -0.296839 -0.155339 2C 2dyz -0.519702 -0.016590 0.522529 -0.347192 0.385293 0.172977 2C 2dx2y2 0.427875 -0.077850 -0.086631 -0.229228 -0.056305 -0.036795 2C 2dxy -0.167110 -0.041012 0.246729 -0.017804 -0.055591 0.189379 2C 1f0 0.007863 -0.000426 -0.002610 -0.014998 0.008789 -0.006822 2C 1f+1 -0.001650 -0.003327 0.015697 -0.007702 0.004680 0.012274 2C 1f-1 -0.034540 0.009272 0.012214 -0.002525 0.007183 -0.003968 2C 1f+2 -0.002132 0.001705 -0.012407 0.005490 -0.015153 -0.004233 2C 1f-2 -0.005274 0.006471 -0.001945 0.001142 -0.007183 -0.009154 2C 1f+3 -0.014439 0.002882 0.002134 -0.011009 -0.004073 -0.003370 2C 1f-3 0.007177 -0.006239 0.011867 -0.012071 0.010333 0.010940 3C 1s 0.001132 -0.003166 0.003930 0.005508 0.001771 0.002955 3C 2s 0.010906 -0.005371 0.004956 0.008341 0.005940 0.006093 3C 3s -0.345328 -0.095602 0.141986 0.196669 -0.030972 0.074479 3C 4s 1.466441 0.788101 -0.819655 -1.278805 -0.160978 -0.797200 3C 5s -2.726649 2.921728 -0.167376 -1.336558 -2.334196 -3.036640 3C 1pz 0.051200 0.069957 0.054185 -0.045034 -0.027147 -0.115502 3C 1px 0.007738 0.001081 -0.076044 -0.034723 0.082540 -0.030848 3C 1py -0.022484 -0.024106 0.102393 0.124105 0.028372 -0.022321 3C 2pz 0.633800 0.276354 -0.394037 -0.211427 -0.061248 -0.189985 3C 2px 0.211453 0.106803 -0.235178 -0.460774 -0.152433 0.016507 3C 2py -0.977553 -0.401216 0.530320 0.737153 -0.046505 0.379097 3C 3pz 0.256093 0.484986 0.360942 -0.375298 -0.391557 -0.231850 3C 3px -0.098870 0.311919 -0.376401 -0.381774 0.123546 -0.375783 3C 3py 0.183326 -0.800181 0.575374 0.628462 0.448510 0.788007 3C 1dz2 0.001685 0.002484 -0.002404 -0.008741 -0.008770 0.013521 3C 1dxz 0.002801 0.000630 0.005201 0.004869 -0.003707 0.005205 3C 1dyz 0.009854 0.009628 -0.004164 -0.004977 0.000308 -0.017230 3C 1dx2y2 -0.003369 0.000282 -0.007961 -0.015676 -0.002695 0.008554 3C 1dxy 0.001252 0.001509 -0.007999 -0.008732 0.002220 -0.002526 3C 2dz2 -0.039826 0.031714 0.314797 0.043667 -0.084180 -0.028475 3C 2dxz 0.476872 0.127696 -0.001189 0.102077 0.239654 -0.311274 3C 2dyz -0.450735 -0.026481 0.278086 0.691952 -0.154143 -0.059896 3C 2dx2y2 -0.399480 -0.190733 0.250239 0.143741 0.248236 -0.050305 3C 2dxy -0.456572 -0.131221 0.308877 0.064166 -0.132275 0.138069 3C 1f0 -0.028115 -0.012517 0.009238 -0.000135 0.011368 0.004004 3C 1f+1 -0.012635 -0.006853 -0.004094 -0.016345 0.001835 0.010579 3C 1f-1 -0.008944 0.001428 -0.000031 0.009658 -0.010204 -0.000203 3C 1f+2 -0.011058 -0.008099 -0.005199 0.003964 0.008933 0.009358 3C 1f-2 -0.004245 -0.002542 0.004577 0.015045 -0.000069 0.002991 3C 1f+3 0.019676 0.004658 -0.011475 -0.010298 0.014267 -0.009917 3C 1f-3 0.001860 0.004232 0.009721 0.023375 0.002909 -0.016597 4C 1s -0.011033 -0.006568 0.013708 -0.016594 0.000016 0.016044 4C 2s -0.028087 -0.014428 0.036530 -0.045189 -0.000241 0.043953 4C 3s -0.072764 -0.066024 0.024049 0.110209 0.077055 -0.224015 4C 4s 1.812001 1.285568 -0.624627 0.297847 -0.088865 -0.111204 4C 5s 3.702077 -0.733713 -3.207725 2.333185 -0.933413 -0.673619 4C 1pz -0.051503 0.049238 0.070294 -0.051546 0.127998 -0.108248 4C 1px 0.006424 0.003599 0.060798 -0.039409 -0.065965 -0.000725 4C 1py -0.022666 0.037651 0.062405 -0.003712 0.064064 -0.016738 4C 2pz -0.919079 0.491177 0.622959 -0.486191 0.586246 0.107669 4C 2px -0.189179 0.077631 0.005480 0.026563 0.119502 0.046669 4C 2py -0.574345 0.337956 0.421187 -0.402248 0.179459 -0.196219 4C 3pz 3.421038 2.807491 0.231048 0.964607 1.452451 -2.904519 4C 3px 0.503932 0.498037 -0.285206 0.355217 0.573616 -0.885403 4C 3py 2.398424 1.916781 -0.574473 0.206427 1.550420 -1.476940 4C 1dz2 -0.002656 -0.006880 0.001632 0.004463 -0.021284 -0.017407 4C 1dxz -0.002697 -0.005556 -0.001466 0.004099 -0.009293 -0.011155 4C 1dyz -0.010449 -0.003445 -0.017166 0.010586 -0.000519 0.012903 4C 1dx2y2 0.000258 0.012537 0.007362 -0.003884 -0.007493 -0.013254 4C 1dxy -0.004494 0.005396 -0.003153 0.003143 -0.000871 -0.000177 4C 2dz2 0.461181 -0.089388 -0.283473 0.012518 -0.317865 -0.221798 4C 2dxz 0.172444 -0.137608 0.171254 -0.187387 -0.467267 0.160746 4C 2dyz 0.525237 -0.077957 -0.648378 0.623297 -0.256653 0.115249 4C 2dx2y2 -0.150928 0.204848 -0.216984 0.099723 -0.056814 -0.451001 4C 2dxy 0.119758 0.052943 -0.249014 0.208087 -0.273406 -0.086687 4C 1f0 -0.006492 -0.001504 0.004341 0.003982 0.005599 0.004570 4C 1f+1 -0.003503 -0.006680 0.017232 -0.005324 0.003887 0.007162 4C 1f-1 -0.028925 -0.002148 0.022713 -0.018075 0.009307 0.008145 4C 1f+2 0.011457 0.003809 -0.012424 0.007983 0.001218 0.006064 4C 1f-2 -0.006817 -0.002850 0.007587 -0.009067 0.007279 0.007545 4C 1f+3 -0.002522 -0.000285 0.009686 -0.006537 0.000010 0.003054 4C 1f-3 0.000329 -0.002958 0.009960 -0.007530 -0.003200 0.000265 5C 1s 0.012141 -0.004016 -0.018187 -0.012563 0.015210 0.013963 5C 2s 0.030419 -0.007600 -0.049318 -0.033585 0.042005 0.038511 5C 3s 0.092063 -0.092842 0.113889 -0.041051 -0.203816 -0.212486 5C 4s -2.069930 1.125225 0.395364 0.556385 -0.152614 -0.094008 5C 5s -3.615809 -1.272671 2.814562 2.971535 -0.269030 0.027340 5C 1pz 0.021012 0.043190 0.014487 -0.069110 -0.032295 -0.097736 5C 1px 0.022352 0.024605 -0.069015 -0.010270 0.062658 -0.104734 5C 1py -0.049201 -0.058338 0.050548 0.110639 0.076498 0.066003 5C 2pz 0.481432 0.395114 -0.390030 -0.418461 -0.070711 0.045813 5C 2px 0.424656 0.280789 -0.252650 -0.260328 -0.074905 -0.121759 5C 2py -0.928093 -0.688703 0.532457 0.637080 -0.098542 0.361838 5C 3pz -2.559959 1.555739 0.042382 0.090970 -1.225616 -2.505941 5C 3px -1.254617 1.006917 0.417237 -0.169442 -1.333518 -1.052349 5C 3py 3.713987 -2.597716 -1.190638 0.617162 2.439239 3.083986 5C 1dz2 -0.003732 -0.005883 -0.004085 0.004584 0.008471 -0.016853 5C 1dxz 0.003965 -0.007605 0.003567 0.007149 0.003082 -0.006910 5C 1dyz -0.009213 -0.000650 -0.007309 -0.016355 -0.006719 0.003940 5C 1dx2y2 -0.004274 0.012633 -0.006075 -0.003184 0.006304 -0.012796 5C 1dxy -0.005343 0.003319 -0.007707 -0.008275 0.002796 -0.001831 5C 2dz2 0.176295 -0.064835 -0.121971 -0.347152 0.260184 -0.024837 5C 2dxz -0.136279 -0.191377 -0.083914 -0.015794 0.301489 0.090665 5C 2dyz 0.518647 0.097586 -0.750738 -0.666567 0.136032 0.005203 5C 2dx2y2 0.480686 0.308829 0.028427 0.000754 0.046954 -0.603904 5C 2dxy 0.292967 0.163196 -0.047985 -0.349654 -0.269331 -0.008189 5C 1f0 -0.017338 -0.004705 0.011692 0.010372 -0.010761 -0.002295 5C 1f+1 -0.003753 -0.005379 -0.003815 -0.003220 -0.001187 0.002923 5C 1f-1 -0.001597 -0.000595 0.003868 0.000704 0.004284 -0.004973 5C 1f+2 -0.022714 -0.003368 0.014869 0.011303 -0.003547 0.003536 5C 1f-2 -0.015134 0.003795 0.012864 0.019515 0.000776 -0.005966 5C 1f+3 0.011976 -0.006027 -0.012726 -0.019454 0.009977 0.004931 5C 1f-3 -0.008430 0.005811 0.002320 0.011640 -0.000338 0.001936 6C 1s 0.012262 -0.004152 0.018012 0.012328 -0.015498 -0.014504 6C 2s 0.030706 -0.007968 0.048842 0.032936 -0.042883 -0.040056 6C 3s 0.093707 -0.091014 -0.111458 0.045123 0.214876 0.223612 6C 4s -2.080114 1.123983 -0.381854 -0.559333 0.116056 0.055719 6C 5s -3.658661 -1.266516 -2.769475 -2.947312 0.282686 -0.027666 6C 1pz -0.021242 -0.043327 0.015068 -0.069464 -0.031074 -0.099251 6C 1px -0.022064 -0.024462 -0.068741 -0.010605 0.063143 -0.104897 6C 1py 0.049653 0.058755 0.049267 0.110085 0.075588 0.068379 6C 2pz -0.485209 -0.392457 -0.382462 -0.414935 -0.058978 0.039791 6C 2px -0.425281 -0.287912 -0.246474 -0.256516 -0.069893 -0.119351 6C 2py 0.934101 0.685197 0.518364 0.631966 -0.119155 0.369699 6C 3pz 2.543307 -1.557875 0.032496 0.090133 -1.189084 -2.504532 6C 3px 1.240204 -1.005388 0.422862 -0.167687 -1.319770 -1.051006 6C 3py -3.709577 2.604766 -1.181251 0.621901 2.380680 3.088179 6C 1dz2 -0.003572 -0.005925 0.004146 -0.004589 -0.008371 0.016818 6C 1dxz 0.004033 -0.007602 -0.003627 -0.007141 -0.002969 0.007082 6C 1dyz -0.009200 -0.000596 0.007327 0.016317 0.006689 -0.003993 6C 1dx2y2 -0.004178 0.012597 0.006081 0.003152 -0.006499 0.012594 6C 1dxy -0.005295 0.003218 0.007800 0.008277 -0.002977 0.001589 6C 2dz2 0.179425 -0.067329 0.121212 0.346692 -0.257172 0.019069 6C 2dxz -0.135160 -0.192610 0.089813 0.016377 -0.295931 -0.101053 6C 2dyz 0.524926 0.096850 0.745764 0.662402 -0.139768 -0.008473 6C 2dx2y2 0.478595 0.309126 -0.037689 -0.001878 -0.057963 0.615083 6C 2dxy 0.297602 0.161949 0.042376 0.347093 0.261832 0.016948 6C 1f0 0.017326 0.004489 0.011294 0.010188 -0.011365 -0.002076 6C 1f+1 0.003568 0.005519 -0.004126 -0.003364 -0.001658 0.002879 6C 1f-1 0.001609 0.000598 0.003837 0.000711 0.004278 -0.004845 6C 1f+2 0.022875 0.003524 0.014519 0.011098 -0.003671 0.003727 6C 1f-2 0.015367 -0.003619 0.012919 0.019495 0.001119 -0.006054 6C 1f+3 -0.012247 0.006232 -0.012848 -0.019522 0.009632 0.004841 6C 1f-3 0.008681 -0.005723 0.002448 0.011741 0.000351 0.001994 7C 1s -0.011256 -0.006529 -0.013451 0.016673 0.000192 -0.016331 7C 2s -0.028662 -0.014336 -0.035787 0.045413 0.000788 -0.044803 7C 3s -0.073421 -0.065319 -0.029114 -0.112188 -0.080432 0.230956 7C 4s 1.830267 1.277143 0.633097 -0.299063 0.079092 0.071158 7C 5s 3.748609 -0.737847 3.159103 -2.355305 0.925912 0.677917 7C 1pz 0.052193 -0.048657 0.069221 -0.052574 0.126283 -0.112383 7C 1px -0.005860 -0.005296 0.060702 -0.039638 -0.065818 -0.001254 7C 1py 0.022579 -0.037940 0.062698 -0.005485 0.062916 -0.019690 7C 2pz 0.923162 -0.489847 0.610327 -0.500299 0.568926 0.081727 7C 2px 0.191262 -0.075840 0.003577 0.024639 0.116463 0.040448 7C 2py 0.580071 -0.338480 0.414683 -0.412461 0.170850 -0.213624 7C 3pz -3.440972 -2.793071 0.233080 0.940768 1.417196 -2.937183 7C 3px -0.506394 -0.490250 -0.288511 0.348372 0.565167 -0.904083 7C 3py -2.416158 -1.912772 -0.575420 0.192924 1.530203 -1.506136 7C 1dz2 -0.002462 -0.006786 -0.001714 -0.004488 0.021335 0.017585 7C 1dxz -0.002679 -0.005473 0.001388 -0.004154 0.009435 0.011327 7C 1dyz -0.010422 -0.003482 0.017080 -0.010478 0.000647 -0.012688 7C 1dx2y2 0.000432 0.012510 -0.007181 0.004002 0.007500 0.013129 7C 1dxy -0.004517 0.005362 0.003298 -0.003133 0.000823 0.000446 7C 2dz2 0.463899 -0.091072 0.278225 -0.016826 0.309874 0.207348 7C 2dxz 0.168228 -0.132305 -0.174365 0.181660 0.458434 -0.178747 7C 2dyz 0.532450 -0.078250 0.642796 -0.629649 0.250275 -0.125225 7C 2dx2y2 -0.145878 0.204716 0.216716 -0.091563 0.065189 0.471120 7C 2dxy 0.121678 0.054306 0.246573 -0.206987 0.274502 0.093337 7C 1f0 0.006525 0.001389 0.004215 0.004237 0.005710 0.004484 7C 1f+1 0.003739 0.006598 0.017317 -0.005038 0.004266 0.007555 7C 1f-1 0.029248 0.002001 0.022456 -0.018322 0.008761 0.007370 7C 1f+2 -0.011801 -0.003790 -0.012573 0.007941 0.001012 0.006102 7C 1f-2 0.006838 0.003041 0.007557 -0.009180 0.007103 0.007410 7C 1f+3 0.002622 0.000241 0.009649 -0.006648 -0.000104 0.002972 7C 1f-3 -0.000141 0.002874 0.010175 -0.007341 -0.002796 0.000655 8C 1s 0.001080 -0.003150 -0.003992 -0.005558 -0.001788 -0.002821 8C 2s 0.010806 -0.005335 -0.005263 -0.008546 -0.006117 -0.005644 8C 3s -0.346804 -0.095476 -0.135871 -0.193421 0.036013 -0.080635 8C 4s 1.476711 0.786957 0.793669 1.266739 0.133911 0.820344 8C 5s -2.692763 2.924527 0.168894 1.336213 2.286297 3.033500 8C 1pz -0.051089 -0.069453 0.054611 -0.045347 -0.025456 -0.116106 8C 1px -0.007301 0.000243 -0.077102 -0.035258 0.083331 -0.028164 8C 1py 0.023996 0.024414 0.101749 0.123021 0.028479 -0.022663 8C 2pz -0.635601 -0.276206 -0.385667 -0.209788 -0.054888 -0.198505 8C 2px -0.218074 -0.104251 -0.234192 -0.460682 -0.145975 0.013805 8C 2py 0.983862 0.401144 0.515376 0.731177 -0.058262 0.388930 8C 3pz -0.253576 -0.485216 0.367660 -0.377768 -0.381663 -0.241218 8C 3px 0.101915 -0.311666 -0.382580 -0.386242 0.133866 -0.369442 8C 3py -0.166082 0.799105 0.565565 0.620663 0.433588 0.788772 8C 1dz2 0.001668 0.002556 0.002360 0.008676 0.008744 -0.013459 8C 1dxz 0.002692 0.000724 -0.005295 -0.004878 0.003793 -0.005033 8C 1dyz 0.009902 0.009597 0.004009 0.004907 -0.000534 0.017348 8C 1dx2y2 -0.003332 0.000337 0.007958 0.015586 0.002621 -0.008702 8C 1dxy 0.001265 0.001446 0.007990 0.008732 -0.002316 0.002354 8C 2dz2 -0.039690 0.031846 -0.314988 -0.045005 0.082307 0.032721 8C 2dxz 0.471388 0.129442 -0.007825 -0.101978 -0.241285 0.316701 8C 2dyz -0.456355 -0.023507 -0.273582 -0.689817 0.157475 0.062304 8C 2dx2y2 -0.404139 -0.190478 -0.245195 -0.142304 -0.241523 0.040974 8C 2dxy -0.456588 -0.131912 -0.304457 -0.060868 0.135214 -0.141900 8C 1f0 0.028410 0.012573 0.009069 -0.000251 0.011102 0.004720 8C 1f+1 0.012156 0.006954 -0.004604 -0.016310 0.001821 0.011132 8C 1f-1 0.008881 -0.001472 -0.000273 0.009704 -0.010110 -0.000288 8C 1f+2 0.011165 0.008076 -0.005319 0.003949 0.008763 0.009720 8C 1f-2 0.004303 0.002527 0.004518 0.014832 -0.000008 0.003002 8C 1f+3 -0.019735 -0.004668 -0.011254 -0.010430 0.014148 -0.009740 8C 1f-3 -0.001696 -0.004444 0.009890 0.023340 0.002990 -0.016973 9C 1s -0.001091 -0.003527 0.004691 -0.003782 0.004312 -0.002547 9C 2s -0.010521 -0.007968 0.006616 -0.005233 0.007699 -0.006955 9C 3s 0.332788 -0.024858 0.182007 -0.126672 0.121929 0.009363 9C 4s -1.407379 0.463637 -1.124202 0.758676 -0.989956 0.338141 9C 5s 2.278807 3.025190 -0.883205 0.089715 -1.748221 2.353639 9C 1pz 0.028536 -0.037239 0.081917 -0.089270 0.061103 -0.060654 9C 1px -0.025123 0.020724 0.085166 -0.084510 -0.067744 0.044224 9C 1py 0.049044 -0.032204 0.064938 0.009715 0.083406 0.039240 9C 2pz 0.973108 -0.231824 0.704516 -0.400528 0.451127 -0.088679 9C 2px 0.003990 0.026461 0.188843 -0.185501 0.300618 0.007564 9C 2py 0.579882 -0.169677 0.314772 -0.456268 0.323769 -0.153511 9C 3pz 0.015683 -0.726979 0.308842 -0.415390 0.742524 -0.417553 9C 3px -0.216598 -0.201038 0.537419 -0.447686 0.030240 0.156440 9C 3py 0.114122 -0.482188 0.586988 0.066869 0.221509 -0.455419 9C 1dz2 0.000424 -0.003386 0.014348 -0.008500 -0.007168 -0.018188 9C 1dxz -0.006220 0.002115 0.009735 -0.008204 -0.002199 -0.003523 9C 1dyz 0.008885 -0.006569 0.006341 -0.005259 0.017505 0.005053 9C 1dx2y2 0.003778 -0.002189 -0.000268 0.004518 -0.014466 -0.013095 9C 1dxy 0.002714 -0.002017 0.002825 -0.003069 -0.000611 -0.004175 9C 2dz2 -0.316685 0.058900 -0.109405 0.397468 -0.167328 0.139327 9C 2dxz -0.375839 0.142133 -0.011823 0.091484 0.303404 0.164097 9C 2dyz -0.525615 -0.017840 -0.517083 0.356534 -0.376623 -0.159413 9C 2dx2y2 0.435639 -0.082455 0.087063 0.228937 0.056461 0.028949 9C 2dxy -0.170169 -0.033541 -0.242746 0.018355 0.052698 -0.187394 9C 1f0 -0.008476 0.000930 -0.002576 -0.015349 0.008413 -0.006717 9C 1f+1 0.001332 0.003371 0.015452 -0.007761 0.004957 0.012330 9C 1f-1 0.034861 -0.009417 0.012043 -0.002864 0.007047 -0.004707 9C 1f+2 0.002082 -0.001724 -0.012085 0.005479 -0.014866 -0.003911 9C 1f-2 0.005480 -0.006686 -0.001923 0.000834 -0.007550 -0.009509 9C 1f+3 0.014519 -0.002939 0.002058 -0.010907 -0.004475 -0.003763 9C 1f-3 -0.006823 0.006499 0.011942 -0.012475 0.010379 0.011306 10H 1s 0.057438 -0.017443 0.013367 -0.015805 0.000433 0.011158 10H 2s -0.503849 0.163412 -0.150716 0.279477 -0.356577 -0.161149 10H 3s -0.291502 -0.218628 -0.159261 0.017823 0.133576 0.103600 10H 1pz -0.036434 0.018037 -0.005812 0.005206 -0.040461 -0.022168 10H 1px 0.017702 0.003510 -0.000752 -0.002837 0.033251 -0.011875 10H 1py -0.010079 0.005124 0.007099 0.003126 -0.011329 0.007525 11H 1s 0.001820 0.018864 -0.035031 0.034589 0.007644 -0.021753 11H 2s 0.105405 -0.174048 0.360045 -0.044716 0.294037 0.313804 11H 3s -0.222377 0.000586 0.069420 -0.315899 0.037226 0.109715 11H 1pz 0.008979 -0.026963 0.021536 0.008511 0.026357 0.061874 11H 1px -0.010738 0.007863 -0.003385 0.016050 0.029352 0.004285 11H 1py -0.001181 -0.005002 -0.013817 0.002978 -0.012120 0.007207 12H 1s 0.017942 0.006378 -0.009743 0.021243 -0.006825 -0.020793 12H 2s 0.151454 -0.008921 -0.087855 -0.388577 0.138670 -0.146550 12H 3s -0.325742 -0.085778 0.312816 0.060656 -0.097202 0.132886 12H 1pz 0.003080 -0.007777 -0.010411 -0.003797 -0.012837 -0.005612 12H 1px -0.014269 0.015360 -0.018839 0.011678 0.003637 -0.038826 12H 1py 0.024811 -0.009803 -0.010629 -0.052116 -0.003140 -0.021229 13H 1s -0.053541 -0.023996 -0.009000 -0.017794 0.008075 0.020171 13H 2s 0.469150 0.192607 0.043428 0.536825 0.088546 -0.340886 13H 3s 0.315626 -0.150360 0.159747 -0.104240 0.011209 0.303461 13H 1pz 0.020049 0.000438 -0.020964 0.029058 0.032555 -0.009922 13H 1px -0.016579 0.000111 0.007641 -0.022790 -0.012213 -0.003237 13H 1py -0.030197 -0.020640 0.006785 -0.035688 0.008609 0.026869 14H 1s -0.025283 -0.003037 0.018580 0.007213 -0.008061 -0.002630 14H 2s -0.112756 0.008230 -0.146959 -0.179167 -0.310137 0.282047 14H 3s 0.429847 -0.051683 -0.005627 -0.066766 0.300691 0.017626 14H 1pz -0.024809 -0.021266 -0.038138 -0.020228 -0.008109 0.055763 14H 1px 0.002284 0.007167 0.000494 -0.003691 -0.047756 0.024725 14H 1py -0.000425 -0.000730 -0.004846 -0.009901 0.018841 -0.007893 15H 1s -0.002476 0.022352 0.042520 0.035314 -0.030999 -0.042870 15H 2s -0.063146 -0.175909 -0.077876 -0.473581 0.296958 0.094302 15H 3s 0.180113 0.043707 -0.378897 -0.020115 0.084321 -0.054001 15H 1pz -0.003193 -0.016859 -0.004920 0.013363 0.016519 0.029883 15H 1px 0.010414 0.006013 0.008714 0.003050 -0.002989 -0.011472 15H 1py 0.004847 0.021803 -0.006536 0.026718 -0.049161 -0.005389 16H 1s -0.001356 0.011503 0.016990 -0.014213 -0.003641 0.002679 16H 2s -0.081523 -0.000266 0.096957 0.092457 0.079668 0.048732 16H 3s -0.135843 -0.006195 -0.071050 0.058823 -0.050412 0.067880 16H 1pz -0.013280 0.029366 0.001777 0.030979 0.023673 0.018791 16H 1px -0.026059 0.007277 0.055586 -0.000678 0.012858 -0.013490 16H 1py 0.001554 -0.078769 -0.028662 -0.030153 -0.049975 -0.035538 17H 1s 0.002035 0.010738 -0.000785 0.021624 0.003864 -0.002907 17H 2s -0.009217 0.009389 0.100967 0.007030 0.164239 0.040972 17H 3s 0.125830 0.010824 -0.042019 -0.090983 0.004363 -0.039396 17H 1pz -0.003021 -0.035885 -0.035388 -0.020896 -0.053599 -0.009453 17H 1px 0.014796 -0.024277 -0.010810 0.048401 0.026671 0.018536 17H 1py 0.013132 -0.074991 -0.038818 -0.004394 -0.032253 0.004753 18H 1s 0.001307 0.010939 0.001047 -0.021819 -0.003275 0.001991 18H 2s -0.014504 0.007683 -0.102707 -0.007726 -0.158398 -0.047243 18H 3s 0.122742 0.011608 0.039086 0.090920 -0.005069 0.038524 18H 1pz 0.002467 0.034268 -0.033990 -0.021349 -0.052097 -0.011663 18H 1px -0.013686 0.023363 -0.010560 0.048821 0.025074 0.020678 18H 1py -0.013744 0.076107 -0.038985 -0.005321 -0.033895 0.003828 19H 1s -0.001926 0.011439 -0.017288 0.013896 0.003484 -0.003525 19H 2s -0.086071 -0.000399 -0.096270 -0.093766 -0.075293 -0.055273 19H 3s -0.137350 -0.006714 0.073176 -0.056416 0.051713 -0.068491 19H 1pz 0.013335 -0.031212 0.001885 0.031624 0.024568 0.020151 19H 1px 0.026844 -0.008111 0.055621 0.000649 0.013269 -0.011174 19H 1py -0.001454 0.077526 -0.027544 -0.029568 -0.048679 -0.037109 20H 1s -0.002912 0.022265 -0.042324 -0.034934 0.030693 0.043506 20H 2s -0.059916 -0.177032 0.077322 0.471877 -0.293683 -0.104755 20H 3s 0.182852 0.042879 0.376276 0.016339 -0.088217 0.053405 20H 1pz 0.003272 0.016671 -0.005064 0.013465 0.016015 0.029770 20H 1px -0.010600 -0.006315 0.009170 0.003080 -0.003343 -0.012138 20H 1py -0.004809 -0.022072 -0.006393 0.026957 -0.048658 -0.006725 21H 1s -0.025218 -0.002581 -0.018699 -0.007431 0.008752 0.002629 21H 2s -0.108152 0.003375 0.155647 0.181751 0.304028 -0.283510 21H 3s 0.422285 -0.049770 0.001348 0.069360 -0.301334 -0.016716 21H 1pz 0.024258 0.021517 -0.039071 -0.020162 -0.008380 0.056888 21H 1px -0.002782 -0.007368 0.000453 -0.003740 -0.047482 0.023710 21H 1py 0.000259 0.000657 -0.004680 -0.009873 0.018353 -0.007787 22H 1s -0.053471 -0.024324 0.010192 0.017943 -0.007983 -0.021698 22H 2s 0.461169 0.198213 -0.054107 -0.537686 -0.088210 0.351529 22H 3s 0.316059 -0.153136 -0.163756 0.101690 -0.010737 -0.298337 22H 1pz -0.019664 -0.000812 -0.020037 0.028931 0.032216 -0.010425 22H 1px 0.016005 -0.000140 0.007702 -0.022740 -0.012374 -0.003600 22H 1py 0.029839 0.020782 0.006368 -0.035631 0.008012 0.028170 23H 1s 0.017405 0.007102 0.010335 -0.022122 0.006610 0.021426 23H 2s 0.161172 -0.022311 0.078506 0.398155 -0.134159 0.139112 23H 3s -0.330745 -0.076034 -0.313700 -0.057734 0.096977 -0.122256 23H 1pz -0.003614 0.008458 -0.010019 -0.004065 -0.013222 -0.004617 23H 1px 0.013953 -0.014942 -0.018450 0.011687 0.003456 -0.039551 23H 1py -0.025685 0.010841 -0.010063 -0.052149 -0.003597 -0.020717 24H 1s 0.002567 0.018434 0.034490 -0.033587 -0.007475 0.021992 24H 2s 0.102795 -0.174062 -0.352654 0.038151 -0.299129 -0.316150 24H 3s -0.231118 0.002910 -0.067763 0.316935 -0.027102 -0.107788 24H 1pz -0.008886 0.027545 0.021728 0.009117 0.027274 0.062797 24H 1px 0.010928 -0.007588 -0.003710 0.016349 0.029806 0.003913 24H 1py 0.001501 0.004448 -0.013871 0.003540 -0.011586 0.006642 25H 1s 0.057721 -0.017699 -0.013773 0.015424 -0.001137 -0.013324 25H 2s -0.515242 0.177864 0.152730 -0.283089 0.358970 0.173716 25H 3s -0.285510 -0.225011 0.164642 -0.010854 -0.128793 -0.093032 25H 1pz 0.036882 -0.018968 -0.005481 0.005333 -0.040722 -0.022618 25H 1px -0.018275 -0.002664 -0.000857 -0.003547 0.032597 -0.012685 25H 1py 0.010995 -0.006122 0.006765 0.004212 -0.010559 0.006654 26O 1s -0.014730 -0.002213 -0.006445 0.003270 -0.003104 0.002124 26O 2s -0.029920 -0.000737 -0.014985 0.008169 -0.004095 0.001938 26O 3s -0.077592 -0.085599 -0.003240 -0.007884 -0.068733 0.058958 26O 4s 1.229615 0.709624 0.272842 -0.097340 0.628821 -0.470967 26O 5s -3.837535 -3.011969 0.437028 -0.678038 -1.763562 2.144527 26O 1pz 0.009147 -0.023031 0.023567 -0.017030 0.007406 0.006744 26O 1px 0.046733 -0.002680 -0.015717 0.025148 -0.018659 -0.011220 26O 1py 0.020121 -0.015911 0.019740 0.003858 -0.024248 -0.012826 26O 2pz 0.048917 0.097176 0.049487 0.019151 0.109688 -0.101682 26O 2px -0.002258 0.097578 -0.099427 0.101269 -0.054503 -0.032187 26O 2py 0.048049 0.104172 -0.012661 0.010868 -0.013941 -0.119787 26O 3pz -0.754633 -1.001666 -0.391360 -0.060081 -0.499536 0.492314 26O 3px 0.828743 0.626344 -0.198665 0.128962 0.227896 -0.476908 26O 3py -0.235225 -0.407974 -0.146656 0.266884 -0.116381 0.146577 26O 1dz2 -0.000430 0.000972 -0.002205 0.000095 0.003046 -0.002178 26O 1dxz -0.003914 0.002486 -0.000594 -0.000268 0.007197 -0.002815 26O 1dyz 0.000979 0.006694 -0.004620 0.002776 0.008977 -0.003579 26O 1dx2y2 0.004932 0.001959 0.000233 0.001305 -0.002446 0.000878 26O 1dxy 0.001982 0.005439 -0.000808 0.000649 0.001715 -0.006005 26O 2dz2 0.020171 0.013657 -0.034228 0.038171 0.028271 -0.013114 26O 2dxz -0.026653 0.019594 0.037627 -0.020052 0.059201 0.013260 26O 2dyz 0.051688 0.035804 -0.032620 0.031072 0.053929 -0.075555 26O 2dx2y2 -0.002250 -0.015529 -0.004512 0.015836 0.012554 0.011360 26O 2dxy -0.015159 0.008670 0.026720 -0.007657 0.012517 -0.052409 26O 1f0 0.002422 0.000001 0.002333 0.000265 -0.000488 0.002995 26O 1f+1 -0.000453 0.001240 0.003059 -0.000411 0.002569 -0.001544 26O 1f-1 0.002687 -0.003122 0.002624 -0.001098 -0.000574 -0.001301 26O 1f+2 -0.003598 -0.000811 -0.003558 0.002768 0.001279 0.001024 26O 1f-2 -0.000640 0.000919 0.001240 0.000243 0.002321 -0.003136 26O 1f+3 -0.002088 -0.001215 -0.000488 0.001200 0.001313 -0.000738 26O 1f-3 0.000068 -0.000376 0.003342 -0.000919 -0.002531 -0.003034 27O 1s 0.015508 -0.000921 0.002903 0.007410 0.002608 0.005755 27O 2s 0.031241 0.001750 0.008149 0.015851 0.002558 0.011785 27O 3s 0.087454 -0.073638 -0.027612 0.034097 0.073156 0.019221 27O 4s -1.335191 0.570869 0.057228 -0.579416 -0.641505 -0.333937 27O 5s 4.105095 -2.762537 -0.926067 0.562797 2.483844 2.115647 27O 1pz -0.003153 -0.011826 -0.005536 -0.017335 0.008247 -0.013246 27O 1px -0.039819 -0.000860 0.014094 0.017672 -0.004213 -0.056188 27O 1py 0.014120 0.025481 0.012984 0.019744 -0.006066 0.039601 27O 2pz -0.055500 0.053619 -0.033938 -0.047231 -0.075462 -0.094819 27O 2px -0.015893 0.162734 0.057311 0.110969 -0.040602 -0.210627 27O 2py 0.062272 -0.124227 -0.032191 0.065601 0.089756 0.221584 27O 3pz 0.741245 -0.680785 0.185254 0.194275 0.456559 0.569215 27O 3px -0.607590 0.412882 0.111224 0.184649 -0.186911 -0.424631 27O 3py -0.823980 0.865499 0.138408 -0.545462 -0.512136 -0.614043 27O 1dz2 0.002887 -0.003844 -0.000915 0.000305 0.003902 0.000562 27O 1dxz 0.002525 0.001943 0.000423 -0.002658 -0.004952 0.002077 27O 1dyz 0.003567 -0.005683 -0.005004 0.000181 0.006845 -0.002534 27O 1dx2y2 -0.003108 0.000893 -0.002324 0.002311 0.003686 -0.006710 27O 1dxy -0.001856 -0.006066 -0.002543 0.003729 0.007138 0.002055 27O 2dz2 0.012409 -0.007228 -0.030342 0.003948 0.018818 0.026824 27O 2dxz 0.000230 0.016382 -0.014709 -0.032190 -0.019205 0.012205 27O 2dyz 0.039973 -0.024539 -0.037437 -0.012856 0.065913 0.036897 27O 2dx2y2 0.020344 -0.035965 -0.021922 -0.007710 0.005210 0.026017 27O 2dxy -0.003868 -0.023530 -0.009939 0.035974 0.026153 0.035316 27O 1f0 -0.000324 0.002823 -0.000559 -0.000180 -0.000475 0.002685 27O 1f+1 0.000106 -0.000639 -0.000854 -0.000689 -0.000467 -0.000898 27O 1f-1 0.001063 0.001340 0.002173 -0.001247 -0.000015 -0.000472 27O 1f+2 0.003547 0.001918 0.002444 0.001439 -0.001746 -0.000049 27O 1f-2 0.002082 -0.001259 0.002118 0.002633 0.000647 0.004604 27O 1f+3 0.000711 -0.001013 -0.000484 -0.001895 -0.001184 -0.005679 27O 1f-3 0.002635 0.000557 0.002248 0.000359 -0.004113 0.003905 28O 1s -0.015599 -0.002667 -0.006685 0.003542 -0.006366 0.004762 28O 2s -0.033618 -0.001405 -0.014800 0.008985 -0.014577 0.009576 28O 3s -0.045924 -0.090768 -0.022819 -0.010858 0.007634 0.021227 28O 4s 1.132266 0.740420 0.504014 -0.136549 0.172454 -0.305258 28O 5s -3.884666 -3.125016 -0.392877 -0.427244 -0.941323 1.731273 28O 1pz 0.020587 -0.016621 -0.012456 0.019695 0.063313 -0.048567 28O 1px -0.029932 -0.015196 0.028726 -0.025789 -0.012431 0.022923 28O 1py 0.009011 -0.011835 0.009843 -0.000556 0.018483 -0.036463 28O 2pz -0.007283 0.171813 -0.038793 0.103809 0.213994 -0.201622 28O 2px -0.019365 -0.075541 0.149528 -0.086898 -0.034945 0.081186 28O 2py 0.013445 0.088174 0.010344 -0.031971 0.061121 -0.156270 28O 3pz -0.059244 -0.554633 -0.441815 -0.148891 -0.203985 0.342742 28O 3px -0.908588 -0.875820 -0.167704 0.001805 -0.514882 0.462740 28O 3py -0.427782 -0.713187 -0.117778 0.192725 -0.223464 0.420591 28O 1dz2 -0.002888 0.004153 0.003616 -0.000047 -0.003350 0.001377 28O 1dxz -0.002044 -0.003521 0.000240 -0.000487 -0.006721 0.002035 28O 1dyz 0.001396 0.006819 0.002446 -0.000046 -0.007530 -0.000072 28O 1dx2y2 0.004994 0.001443 -0.002413 0.000871 0.002720 -0.003922 28O 1dxy 0.002275 0.000595 -0.002099 0.002625 -0.000476 0.002978 28O 2dz2 -0.014823 0.038478 0.001703 0.025010 0.039727 -0.017056 28O 2dxz 0.013041 0.018217 -0.007376 -0.003846 -0.001406 0.011956 28O 2dyz -0.013081 0.050528 0.000838 0.012049 -0.007002 -0.064771 28O 2dx2y2 0.012815 -0.018501 -0.001882 0.016419 -0.008483 0.003932 28O 2dxy -0.012641 -0.003084 -0.020836 0.015485 0.009268 0.031278 28O 1f0 -0.001888 0.000016 0.001170 0.002222 0.003697 -0.000806 28O 1f+1 0.001752 0.000987 -0.000565 0.001366 0.004546 -0.000770 28O 1f-1 0.000452 -0.000619 0.001328 -0.000364 0.004431 -0.003664 28O 1f+2 0.000910 0.000925 0.000799 0.000065 -0.004113 0.006227 28O 1f-2 0.000642 -0.001769 -0.000239 0.000350 0.001174 -0.000602 28O 1f+3 0.001561 0.000411 -0.000618 -0.001449 0.001243 0.002006 28O 1f-3 0.001461 0.002465 0.000953 -0.000931 0.001959 -0.004200 29O 1s 0.000957 -0.007108 -0.000317 0.002526 -0.001001 -0.002033 29O 2s 0.002329 -0.018446 -0.000154 0.006187 -0.001954 -0.004696 29O 3s -0.003994 0.043031 -0.011901 -0.007812 -0.006450 0.000600 29O 4s -0.033136 0.076742 0.085170 -0.083041 0.093714 0.104210 29O 5s 0.125254 -0.119894 -0.229402 0.234485 -0.299119 -0.312030 29O 1pz 0.012027 0.023190 0.007310 0.006594 0.000439 -0.011533 29O 1px 0.009681 -0.070283 -0.013884 0.004709 -0.014266 -0.013719 29O 1py 0.003683 0.009404 -0.016421 0.002323 0.012076 0.001396 29O 2pz 0.015934 0.017415 -0.013880 0.032347 0.014592 -0.001112 29O 2px 0.021154 -0.053214 -0.025656 0.022230 -0.016518 -0.017694 29O 2py -0.003926 -0.008141 -0.014309 -0.008179 -0.002625 -0.001847 29O 3pz -0.166616 -0.031766 0.061672 -0.005728 -0.064361 0.050545 29O 3px -0.071225 0.095477 0.034403 -0.159329 -0.012755 0.097142 29O 3py -0.035136 0.091524 0.226951 0.075741 0.163769 0.073729 29O 1dz2 -0.000807 0.000948 -0.000474 -0.001115 -0.001874 0.000214 29O 1dxz 0.000753 0.002877 -0.000867 -0.000448 0.000320 0.000374 29O 1dyz 0.000004 0.001008 0.000648 0.000588 -0.000028 0.001290 29O 1dx2y2 0.001033 -0.006285 -0.001188 0.000249 -0.000573 -0.000542 29O 1dxy 0.000573 -0.002056 -0.000906 -0.000383 -0.001617 -0.000052 29O 2dz2 0.008873 -0.041522 -0.018965 -0.076261 -0.040738 -0.023293 29O 2dxz 0.011210 0.012784 -0.054405 0.051147 -0.033476 0.015864 29O 2dyz -0.018127 0.027526 0.023606 0.022277 0.040008 0.027975 29O 2dx2y2 0.004628 -0.141856 -0.021577 0.038523 -0.036441 -0.018811 29O 2dxy 0.007426 -0.030441 -0.074203 -0.027216 -0.017811 -0.003616 29O 1f0 -0.000342 -0.002211 -0.001274 0.000388 -0.000113 -0.000778 29O 1f+1 0.000111 0.001279 -0.000074 0.001798 -0.000100 -0.000171 29O 1f-1 -0.000487 0.000126 -0.001886 0.001634 0.000394 -0.000202 29O 1f+2 -0.000367 0.002220 0.001717 -0.001344 0.000845 0.000092 29O 1f-2 0.000198 -0.000119 0.000430 -0.003146 -0.000258 0.000837 29O 1f+3 -0.000008 0.001345 0.001172 0.001673 0.000076 -0.000031 29O 1f-3 -0.000066 -0.000200 -0.001729 0.001573 0.000927 -0.000470 30O 1s 0.015823 -0.000802 0.003524 0.007762 0.006135 0.003938 30O 2s 0.033182 0.002331 0.008608 0.017319 0.013365 0.005413 30O 3s 0.063876 -0.079147 0.000169 0.016672 0.005701 0.073289 30O 4s -1.260118 0.581074 -0.219577 -0.434061 -0.243500 -0.647954 30O 5s 4.419160 -2.737101 -0.532852 0.301367 1.505920 2.652303 30O 1pz -0.025621 -0.007389 0.020587 -0.013300 -0.055419 -0.002135 30O 1px 0.035948 -0.009620 -0.041244 -0.024813 0.021727 -0.002850 30O 1py 0.007060 0.018595 -0.021685 0.005200 0.057743 0.024890 30O 2pz -0.048121 0.131545 0.047926 0.022535 -0.198982 -0.088896 30O 2px 0.019137 -0.049085 -0.144220 -0.123343 0.057680 -0.034061 30O 2py -0.008382 -0.172078 -0.106176 0.002114 0.196215 0.198473 30O 3pz 0.022260 -0.305733 0.323981 -0.016418 0.285750 0.266817 30O 3px 1.237746 -0.948896 -0.037940 0.340662 0.499424 0.698875 30O 3py -0.111124 0.674969 -0.009573 -0.304978 -0.441469 -0.498650 30O 1dz2 0.003790 -0.001511 -0.001905 -0.001801 -0.000921 0.001185 30O 1dxz 0.003796 -0.001417 -0.001469 0.002541 0.005791 -0.002386 30O 1dyz 0.002540 -0.008467 0.001321 -0.002674 -0.002913 0.007825 30O 1dx2y2 -0.005589 -0.003244 0.004280 -0.001001 -0.005656 0.005332 30O 1dxy -0.000192 0.000625 0.001921 -0.002872 -0.003155 -0.001266 30O 2dz2 0.003576 -0.003640 -0.031197 -0.022285 -0.015499 0.038221 30O 2dxz -0.011420 0.022687 -0.002550 0.024730 0.019854 -0.014924 30O 2dyz -0.003429 -0.035990 -0.013054 0.008281 0.023542 0.077838 30O 2dx2y2 -0.014025 -0.045909 -0.000298 0.010042 0.021618 0.060188 30O 2dxy 0.014407 -0.020350 -0.017026 -0.024722 -0.006863 -0.008275 30O 1f0 0.000702 0.000761 0.000857 0.000022 -0.000934 0.000288 30O 1f+1 -0.001458 0.001560 -0.000453 -0.001976 -0.003465 0.001527 30O 1f-1 0.000235 -0.000708 0.001590 0.000058 0.002730 0.000822 30O 1f+2 -0.001899 0.001213 -0.000431 0.002493 0.003358 0.002733 30O 1f-2 0.000104 0.002570 -0.001510 0.002376 0.005141 -0.000477 30O 1f+3 -0.003658 0.000216 0.001210 -0.003424 -0.003139 -0.000204 30O 1f-3 -0.001121 -0.001258 -0.000946 0.002870 0.003709 0.005713 31O 1s 0.015675 -0.000809 -0.003642 -0.007805 -0.006176 -0.003783 31O 2s 0.032844 0.002340 -0.008824 -0.017398 -0.013460 -0.005130 31O 3s 0.063748 -0.079686 -0.001487 -0.017082 -0.005947 -0.071570 31O 4s -1.252678 0.583115 0.233656 0.438274 0.243775 0.628247 31O 5s 4.408387 -2.736970 0.504755 -0.311976 -1.457355 -2.628368 31O 1pz 0.025144 0.007244 0.020718 -0.013297 -0.055549 -0.003237 31O 1px -0.036110 0.009396 -0.041041 -0.024750 0.021351 -0.002112 31O 1py -0.006958 -0.018456 -0.022385 0.005384 0.058405 0.026393 31O 2pz 0.047495 -0.131863 0.049480 0.022890 -0.195717 -0.092745 31O 2px -0.020492 0.048724 -0.146236 -0.123691 0.054631 -0.030421 31O 2py 0.007495 0.172264 -0.109180 0.002266 0.192517 0.202563 31O 3pz -0.014868 0.309886 0.319754 -0.017650 0.292280 0.265157 31O 3px -1.229625 0.943468 -0.027393 0.342636 0.478729 0.687209 31O 3py 0.109667 -0.679204 -0.002893 -0.304020 -0.441771 -0.494428 31O 1dz2 0.003800 -0.001502 0.001880 0.001777 0.000914 -0.001152 31O 1dxz 0.003761 -0.001405 0.001430 -0.002546 -0.005740 0.002337 31O 1dyz 0.002581 -0.008438 -0.001307 0.002672 0.003079 -0.007866 31O 1dx2y2 -0.005502 -0.003247 -0.004192 0.001019 0.005725 -0.005384 31O 1dxy -0.000163 0.000600 -0.001924 0.002890 0.003140 0.001333 31O 2dz2 0.004055 -0.003580 0.030883 0.022068 0.015786 -0.037966 31O 2dxz -0.011496 0.021904 0.002166 -0.025029 -0.021195 0.015392 31O 2dyz -0.003008 -0.036592 0.012534 -0.008581 -0.023892 -0.077926 31O 2dx2y2 -0.014025 -0.046122 0.000599 -0.009926 -0.020994 -0.060057 31O 2dxy 0.015009 -0.019355 0.017129 0.024936 0.008943 0.008391 31O 1f0 -0.000724 -0.000796 0.000852 0.000010 -0.000989 0.000234 31O 1f+1 0.001436 -0.001573 -0.000470 -0.001976 -0.003474 0.001526 31O 1f-1 -0.000214 0.000709 0.001608 0.000056 0.002704 0.000822 31O 1f+2 0.001878 -0.001174 -0.000429 0.002505 0.003424 0.002776 31O 1f-2 -0.000088 -0.002501 -0.001454 0.002409 0.005288 -0.000399 31O 1f+3 0.003627 -0.000235 0.001144 -0.003440 -0.003173 -0.000177 31O 1f-3 0.001161 0.001312 -0.000932 0.002890 0.003779 0.005769 32O 1s 0.000877 -0.006962 0.000287 -0.002548 0.001035 0.002114 32O 2s 0.002110 -0.018110 0.000053 -0.006249 0.002095 0.004890 32O 3s -0.003192 0.043027 0.012559 0.008033 0.005156 -0.000757 32O 4s -0.033636 0.069391 -0.087465 0.083304 -0.087679 -0.106552 32O 5s 0.124176 -0.099549 0.235305 -0.236536 0.282086 0.314915 32O 1pz -0.012189 -0.022538 0.007214 0.006615 0.000589 -0.010852 32O 1px -0.009329 0.069955 -0.013297 0.004375 -0.014795 -0.015097 32O 1py -0.004187 -0.009343 -0.016271 0.002091 0.012015 0.001458 32O 2pz -0.016068 -0.017587 -0.014202 0.032758 0.014010 -0.000567 32O 2px -0.020512 0.052042 -0.025254 0.021947 -0.016791 -0.018966 32O 2py 0.002169 0.008277 -0.014947 -0.007718 -0.001691 -0.003159 32O 3pz 0.168626 0.031284 0.056115 -0.007030 -0.066114 0.051486 32O 3px 0.060789 -0.087224 0.033313 -0.161576 -0.012633 0.089079 32O 3py 0.048922 -0.090053 0.228868 0.077732 0.154493 0.084947 32O 1dz2 -0.000768 0.000920 0.000498 0.001151 0.001854 -0.000200 32O 1dxz 0.000758 0.002860 0.000857 0.000441 -0.000371 -0.000439 32O 1dyz -0.000013 0.000920 -0.000581 -0.000560 0.000117 -0.001348 32O 1dx2y2 0.001029 -0.006272 0.001107 -0.000210 0.000653 0.000686 32O 1dxy 0.000653 -0.002107 0.000929 0.000413 0.001596 0.000179 32O 2dz2 0.009522 -0.042625 0.018831 0.076899 0.040713 0.027378 32O 2dxz 0.011681 0.012510 0.054130 -0.050797 0.033238 -0.014936 32O 2dyz -0.017553 0.021966 -0.020939 -0.020458 -0.036012 -0.027966 32O 2dx2y2 0.004072 -0.141203 0.020863 -0.038450 0.037627 0.019569 32O 2dxy 0.008316 -0.032503 0.075060 0.027460 0.018669 0.005040 32O 1f0 0.000234 0.002201 -0.001198 0.000299 -0.000084 -0.000881 32O 1f+1 -0.000077 -0.001330 -0.000078 0.001887 -0.000122 -0.000110 32O 1f-1 0.000440 -0.000104 -0.001929 0.001536 0.000400 -0.000300 32O 1f+2 0.000412 -0.002198 0.001754 -0.001291 0.000862 0.000148 32O 1f-2 -0.000251 0.000086 0.000495 -0.003186 -0.000177 0.000811 32O 1f+3 0.000053 -0.001377 0.001176 0.001590 0.000066 0.000077 32O 1f-3 0.000082 0.000219 -0.001781 0.001622 0.000890 -0.000394 33O 1s -0.015527 -0.002657 0.006781 -0.003468 0.006407 -0.004654 33O 2s -0.033469 -0.001376 0.015015 -0.008833 0.014632 -0.009373 33O 3s -0.045459 -0.090992 0.022966 0.011386 -0.006523 -0.019898 33O 4s 1.126230 0.742200 -0.508521 0.130339 -0.181121 0.290264 33O 5s -3.895840 -3.118351 0.398880 0.420334 0.933301 -1.739510 33O 1pz -0.020431 0.016496 -0.012218 0.019524 0.062606 -0.050660 33O 1px 0.030237 0.014792 0.028756 -0.025748 -0.012101 0.023529 33O 1py -0.008781 0.011682 0.010025 -0.000819 0.018179 -0.037739 33O 2pz 0.007910 -0.172274 -0.039653 0.101090 0.210154 -0.210242 33O 2px 0.021778 0.074650 0.150768 -0.084528 -0.031655 0.086613 33O 2py -0.013191 -0.088948 0.010452 -0.033011 0.059432 -0.159409 33O 3pz 0.036563 0.567380 -0.437811 -0.149097 -0.205320 0.355204 33O 3px 0.917737 0.867273 -0.166194 0.004165 -0.514878 0.457314 33O 3py 0.423083 0.717880 -0.118130 0.195603 -0.219620 0.419415 33O 1dz2 -0.002962 0.004262 -0.003564 0.000111 0.003382 -0.001260 33O 1dxz -0.002105 -0.003432 -0.000232 0.000442 0.006686 -0.002105 33O 1dyz 0.001349 0.006940 -0.002384 0.000093 0.007556 0.000191 33O 1dx2y2 0.005078 0.001360 0.002394 -0.000897 -0.002771 0.003861 33O 1dxy 0.002276 0.000601 0.002077 -0.002647 0.000452 -0.003116 33O 2dz2 -0.015155 0.038380 -0.001682 -0.024493 -0.040264 0.017504 33O 2dxz 0.013146 0.018417 0.007925 0.004513 0.002509 -0.011436 33O 2dyz -0.012828 0.050924 -0.000574 -0.012495 0.007142 0.064925 33O 2dx2y2 0.012468 -0.019069 0.001055 -0.016723 0.007823 -0.004398 33O 2dxy -0.012891 -0.002938 0.020840 -0.015309 -0.008941 -0.031674 33O 1f0 0.001935 -0.000021 0.001165 0.002247 0.003743 -0.000876 33O 1f+1 -0.001761 -0.000918 -0.000526 0.001411 0.004601 -0.000700 33O 1f-1 -0.000446 0.000627 0.001375 -0.000331 0.004432 -0.003604 33O 1f+2 -0.000909 -0.000968 0.000715 0.000018 -0.004155 0.006264 33O 1f-2 -0.000615 0.001787 -0.000227 0.000421 0.001227 -0.000559 33O 1f+3 -0.001568 -0.000401 -0.000646 -0.001446 0.001242 0.002079 33O 1f-3 -0.001464 -0.002444 0.000934 -0.000902 0.002005 -0.004165 34O 1s 0.015353 -0.000898 -0.003030 -0.007433 -0.002532 -0.005761 34O 2s 0.030928 0.001786 -0.008385 -0.015889 -0.002391 -0.011841 34O 3s 0.086461 -0.073282 0.026333 -0.034457 -0.073244 -0.018285 34O 4s -1.321640 0.568782 -0.043310 0.582154 0.634965 0.326968 34O 5s 4.081508 -2.768248 0.900228 -0.566961 -2.422315 -2.105664 34O 1pz 0.003204 0.011851 -0.005361 -0.017695 0.008116 -0.013863 34O 1px 0.039788 0.000372 0.014053 0.017493 -0.003977 -0.056975 34O 1py -0.013765 -0.025526 0.012956 0.019856 -0.006194 0.041159 34O 2pz 0.054607 -0.053969 -0.033817 -0.047578 -0.074504 -0.096388 34O 2px 0.016584 -0.163820 0.059513 0.111443 -0.034591 -0.213372 34O 2py -0.061383 0.124694 -0.033226 0.065452 0.086492 0.225173 34O 3pz -0.730916 0.682787 0.190815 0.194133 0.441586 0.567898 34O 3px 0.621532 -0.420339 0.107942 0.184601 -0.182321 -0.408019 34O 3py 0.813887 -0.865741 0.133208 -0.546237 -0.494880 -0.616764 34O 1dz2 0.002895 -0.003887 0.000900 -0.000315 -0.003853 -0.000565 34O 1dxz 0.002558 0.001960 -0.000485 0.002652 0.004903 -0.001997 34O 1dyz 0.003539 -0.005717 0.004993 -0.000176 -0.006733 0.002535 34O 1dx2y2 -0.003178 0.000930 0.002356 -0.002278 -0.003646 0.006676 34O 1dxy -0.001940 -0.006099 0.002607 -0.003708 -0.006982 -0.002180 34O 2dz2 0.012645 -0.006974 0.030167 -0.004543 -0.019665 -0.027574 34O 2dxz 0.000337 0.016321 0.014785 0.032060 0.019029 -0.011957 34O 2dyz 0.040573 -0.025224 0.037391 0.013114 -0.065828 -0.036241 34O 2dx2y2 0.020917 -0.036688 0.022483 0.008273 -0.003701 -0.024539 34O 2dxy -0.004108 -0.022808 0.009509 -0.036397 -0.026484 -0.035413 34O 1f0 0.000313 -0.002831 -0.000569 -0.000163 -0.000423 0.002737 34O 1f+1 -0.000107 0.000649 -0.000891 -0.000732 -0.000553 -0.000996 34O 1f-1 -0.001063 -0.001349 0.002195 -0.001232 0.000026 -0.000478 34O 1f+2 -0.003570 -0.001932 0.002490 0.001438 -0.001702 -0.000163 34O 1f-2 -0.002073 0.001250 0.002146 0.002650 0.000662 0.004572 34O 1f+3 -0.000721 0.001034 -0.000508 -0.001939 -0.001310 -0.005802 34O 1f-3 -0.002636 -0.000590 0.002331 0.000409 -0.004028 0.003863 35O 1s -0.014702 -0.002157 0.006521 -0.003264 0.003063 -0.002025 35O 2s -0.029826 -0.000631 0.015168 -0.008162 0.003950 -0.001766 35O 3s -0.078052 -0.085104 0.003090 0.008126 0.069952 -0.057540 35O 4s 1.231780 0.702099 -0.274829 0.096055 -0.633250 0.457254 35O 5s -3.858708 -2.988252 -0.433480 0.662506 1.747069 -2.159506 35O 1pz -0.009199 0.023493 0.023987 -0.017270 0.006599 0.005802 35O 1px -0.046977 0.002790 -0.015209 0.024723 -0.019020 -0.012409 35O 1py -0.020739 0.015999 0.020178 0.003291 -0.024606 -0.013852 35O 2pz -0.049513 -0.095308 0.049414 0.017297 0.107230 -0.105122 35O 2px 0.000814 -0.096541 -0.099506 0.098233 -0.058297 -0.038598 35O 2py -0.050585 -0.103345 -0.012892 0.008550 -0.015787 -0.124361 35O 3pz 0.755079 0.992604 -0.389404 -0.055528 -0.492721 0.487206 35O 3px -0.832269 -0.631309 -0.200039 0.129523 0.232218 -0.475620 35O 3py 0.241041 0.401193 -0.145070 0.270885 -0.117121 0.148401 35O 1dz2 -0.000402 0.000884 0.002215 -0.000077 -0.003013 0.002156 35O 1dxz -0.003870 0.002380 0.000654 0.000355 -0.007108 0.003030 35O 1dyz 0.001094 0.006534 0.004684 -0.002712 -0.008956 0.003692 35O 1dx2y2 0.004878 0.001999 -0.000265 -0.001317 0.002418 -0.000905 35O 1dxy 0.002061 0.005406 0.000835 -0.000599 -0.001676 0.006095 35O 2dz2 0.020374 0.012957 0.034493 -0.037385 -0.027753 0.012827 35O 2dxz -0.027482 0.019213 -0.037472 0.020309 -0.059273 -0.013363 35O 2dyz 0.052395 0.035447 0.032927 -0.030842 -0.054429 0.075420 35O 2dx2y2 -0.002810 -0.015028 0.003854 -0.016276 -0.012957 -0.011606 35O 2dxy -0.015057 0.009116 -0.026819 0.007504 -0.013241 0.052027 35O 1f0 -0.002391 -0.000034 0.002353 0.000289 -0.000430 0.003078 35O 1f+1 0.000505 -0.001276 0.003084 -0.000393 0.002592 -0.001570 35O 1f-1 -0.002662 0.003073 0.002687 -0.001046 -0.000529 -0.001224 35O 1f+2 0.003587 0.000853 -0.003589 0.002741 0.001181 0.000905 35O 1f-2 0.000647 -0.000897 0.001225 0.000221 0.002290 -0.003185 35O 1f+3 0.002059 0.001209 -0.000472 0.001179 0.001308 -0.000838 35O 1f-3 -0.000034 0.000290 0.003392 -0.000879 -0.002457 -0.003055 294 295 296 297 298 299 1.25391 1.26080 1.29165 1.29937 1.31638 1.32754 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s 0.000019 0.003230 -0.000181 0.000567 -0.000173 -0.000137 0Rh 2s 0.000159 -0.011630 0.000852 -0.001101 -0.001144 0.000414 0Rh 3s 0.000211 0.011759 -0.000538 0.002642 -0.001719 -0.000549 0Rh 4s -0.000840 0.054289 -0.004063 0.004776 0.005892 -0.001900 0Rh 5s 0.002891 -0.041739 0.005135 0.005430 -0.020630 0.000603 0Rh 6s -0.006869 -0.149026 0.002299 -0.051382 0.051645 0.009131 0Rh 7s 0.061921 0.114712 0.021853 0.346919 0.126287 -0.073013 0Rh 8s 0.123534 0.497761 -0.027278 0.009691 -0.278716 -0.029467 0Rh 1pz 0.007524 0.006538 0.003464 0.005749 -0.000103 0.010000 0Rh 1px -0.000886 -0.019186 0.002221 -0.017248 -0.002311 0.007551 0Rh 1py 0.007552 -0.003974 -0.000849 -0.021482 -0.007192 0.001936 0Rh 2pz -0.024765 -0.021657 -0.011639 -0.019492 0.000312 -0.033682 0Rh 2px 0.003012 0.063626 -0.007382 0.058288 0.007759 -0.025481 0Rh 2py -0.024349 0.013282 0.002854 0.071915 0.024081 -0.006602 0Rh 3pz -0.009008 -0.004798 0.000279 0.005231 0.000921 0.001328 0Rh 3px -0.000978 0.012358 -0.001379 -0.012228 -0.001322 0.003254 0Rh 3py -0.019889 0.000565 -0.000086 0.002432 0.001030 0.002346 0Rh 4pz 0.174662 0.141022 0.068129 0.086875 -0.007399 0.199406 0Rh 4px -0.013121 -0.405115 0.048420 -0.269306 -0.029736 0.133887 0Rh 4py 0.217081 -0.077763 -0.016755 -0.423554 -0.144847 0.028067 0Rh 5pz -0.258699 -0.232994 -0.140438 -0.116240 0.029762 -0.381719 0Rh 5px 0.024398 0.647628 -0.088460 0.342731 -0.030995 -0.216279 0Rh 5py -0.341852 0.134389 0.030889 0.692979 0.269939 -0.039423 0Rh 6pz -0.139967 0.554649 1.639343 0.163906 -0.151686 2.443960 0Rh 6px -0.330196 -1.224004 0.604582 -0.126473 1.154747 0.863662 0Rh 6py 0.099361 -0.696767 -0.145811 -2.267538 -2.485975 -0.041782 0Rh 1dz2 -0.024039 0.015547 0.009745 0.003743 -0.015987 -0.022411 0Rh 1dxz -0.005017 0.020799 0.012481 -0.001611 -0.022756 0.021366 0Rh 1dyz -0.058984 0.003153 0.049551 0.008511 -0.002051 -0.020038 0Rh 1dx2y2 -0.001276 -0.029459 0.012091 0.011439 0.042909 0.004831 0Rh 1dxy -0.038180 -0.017348 0.017483 -0.021945 -0.020985 -0.004907 0Rh 2dz2 0.004106 -0.002277 -0.003926 -0.000218 0.003254 0.003729 0Rh 2dxz 0.002202 -0.002435 -0.000731 0.000321 0.004276 -0.003493 0Rh 2dyz 0.010559 -0.000363 -0.011923 -0.001596 0.001236 0.003169 0Rh 2dx2y2 -0.000245 0.004271 -0.001982 -0.001852 -0.006547 -0.000895 0Rh 2dxy 0.009046 0.002287 -0.004470 0.004261 0.002219 0.000314 0Rh 3dz2 0.035182 -0.024277 -0.004497 -0.007413 0.021491 0.033978 0Rh 3dxz 0.001531 -0.035187 -0.024550 0.002141 0.032275 -0.032804 0Rh 3dyz 0.084297 -0.005327 -0.057943 -0.012178 -0.000899 0.030987 0Rh 3dx2y2 0.003992 0.046205 -0.018136 -0.017321 -0.067092 -0.006944 0Rh 3dxy 0.045334 0.028335 -0.019306 0.030786 0.037292 0.009519 0Rh 4dz2 0.079437 -0.048669 -0.069857 -0.005413 0.060575 0.072369 0Rh 4dxz 0.037423 -0.055720 -0.021582 0.007567 0.080350 -0.068468 0Rh 4dyz 0.201380 -0.009293 -0.228630 -0.028198 0.021168 0.062020 0Rh 4dx2y2 -0.004752 0.090308 -0.042203 -0.039716 -0.132891 -0.017021 0Rh 4dxy 0.160213 0.049021 -0.084843 0.075852 0.051050 0.009027 0Rh 5dz2 -0.215501 0.159618 0.385833 -0.013571 -0.199129 -0.212747 0Rh 5dxz -0.171115 0.167247 0.020993 -0.046914 -0.241927 0.221271 0Rh 5dyz -0.568052 0.043844 1.075602 0.066690 -0.121663 -0.156813 0Rh 5dx2y2 0.052777 -0.279007 0.178210 0.165524 0.386587 0.055777 0Rh 5dxy -0.514853 -0.134491 0.407591 -0.194536 -0.130362 -0.008485 0Rh 1f0 0.006912 0.019142 0.009637 0.019381 0.014679 0.031072 0Rh 1f+1 -0.001217 -0.007916 -0.003715 0.015843 0.009839 -0.010537 0Rh 1f-1 0.017358 0.002421 -0.011647 0.036454 0.026168 -0.061938 0Rh 1f+2 -0.002935 -0.012855 0.023102 0.046256 0.029322 0.063764 0Rh 1f-2 -0.009831 -0.003753 -0.000417 0.038437 0.023788 -0.012046 0Rh 1f+3 0.004664 -0.021989 -0.008901 0.007193 0.003175 -0.038067 0Rh 1f-3 0.003508 -0.009100 0.004089 0.009727 0.005060 0.010550 1Rh 1s -0.000179 0.003216 -0.000215 -0.000532 -0.000194 0.000126 1Rh 2s 0.000417 -0.011605 0.000899 0.000980 -0.001088 -0.000504 1Rh 3s -0.000791 0.011694 -0.000705 -0.002513 -0.001808 0.000427 1Rh 4s -0.001849 0.054185 -0.004254 -0.004211 0.005640 0.002361 1Rh 5s -0.000790 -0.041909 0.004584 -0.005839 -0.020626 -0.002154 1Rh 6s 0.014020 -0.147695 0.005703 0.049718 0.053166 -0.005382 1Rh 7s -0.066990 0.107128 -0.003487 -0.354496 0.111235 0.078808 1Rh 8s -0.148314 0.491202 -0.021693 0.001666 -0.278616 0.009604 1Rh 1pz 0.007901 -0.006622 -0.002949 0.006092 -0.000607 0.009959 1Rh 1px -0.001951 0.018861 -0.003297 -0.017032 0.001089 0.007590 1Rh 1py 0.007210 0.004557 -0.001067 -0.021590 0.006228 0.002625 1Rh 2pz -0.026012 0.021946 0.009899 -0.020645 0.002066 -0.033546 1Rh 2px 0.006546 -0.062543 0.011024 0.057578 -0.003640 -0.025605 1Rh 2py -0.023205 -0.015168 0.003563 0.072277 -0.020836 -0.008910 1Rh 3pz -0.009297 0.004701 0.000024 0.005245 -0.000693 0.001330 1Rh 3px -0.000357 -0.012234 0.000458 -0.012578 0.000757 0.003141 1Rh 3py -0.019865 -0.001942 0.000188 0.002454 -0.001296 0.002272 1Rh 4pz 0.182857 -0.142312 -0.059596 0.093760 -0.008186 0.198591 1Rh 4px -0.035220 0.398561 -0.064489 -0.263528 0.008901 0.134397 1Rh 4py 0.210474 0.093925 -0.020491 -0.425838 0.127192 0.041919 1Rh 5pz -0.272380 0.235241 0.127850 -0.130887 0.001293 -0.380298 1Rh 5px 0.058589 -0.637517 0.108032 0.329673 0.061346 -0.211867 1Rh 5py -0.330527 -0.159586 0.029443 0.697822 -0.241231 -0.065427 1Rh 6pz -0.098929 -0.574584 -1.601208 0.360451 -0.053017 2.405722 1Rh 6px -0.378409 1.195399 -0.603613 -0.013279 -1.227283 0.764698 1Rh 6py 0.034802 0.702033 -0.042528 -2.333201 2.390186 0.185905 1Rh 1dz2 0.023533 0.016867 0.009944 -0.003186 -0.017361 0.020449 1Rh 1dxz 0.004096 0.021423 0.012474 0.000534 -0.020806 -0.022519 1Rh 1dyz 0.058674 0.007050 0.049114 -0.011543 -0.002347 0.018885 1Rh 1dx2y2 0.002407 -0.029229 0.010978 -0.013910 0.043141 -0.001992 1Rh 1dxy 0.039187 -0.014853 0.019760 0.021341 -0.019738 0.002498 1Rh 2dz2 -0.004039 -0.002528 -0.003966 0.000277 0.003504 -0.003378 1Rh 2dxz -0.002114 -0.002574 -0.000738 -0.000321 0.003923 0.003719 1Rh 2dyz -0.010541 -0.001033 -0.011850 0.002266 0.001292 -0.002799 1Rh 2dx2y2 0.000092 0.004291 -0.001789 0.002222 -0.006607 0.000517 1Rh 2dxy -0.009166 0.001699 -0.004872 -0.004060 0.001964 -0.000058 1Rh 3dz2 -0.034365 -0.026099 -0.004763 0.005912 0.023484 -0.031131 1Rh 3dxz 0.000109 -0.035967 -0.024501 0.000248 0.029439 0.034403 1Rh 3dyz -0.083694 -0.011029 -0.057281 0.015990 -0.000478 -0.030031 1Rh 3dx2y2 -0.005806 0.045605 -0.016506 0.021197 -0.067362 0.002248 1Rh 3dxy -0.047028 0.025352 -0.022663 -0.030324 0.035592 -0.005250 1Rh 4dz2 -0.077960 -0.053456 -0.070689 0.006032 0.065290 -0.065401 1Rh 4dxz -0.035207 -0.058282 -0.021806 -0.006512 0.073653 0.072642 1Rh 4dyz -0.200874 -0.022140 -0.227277 0.041275 0.022185 -0.055321 1Rh 4dx2y2 0.001366 0.090599 -0.038287 0.047470 -0.133878 0.009105 1Rh 4dxy -0.162940 0.038605 -0.092193 -0.072137 0.046485 -0.002963 1Rh 5dz2 0.211039 0.174058 0.389639 0.001088 -0.213143 0.187296 1Rh 5dxz 0.164612 0.175835 0.023821 0.047811 -0.219982 -0.233642 1Rh 5dyz 0.567994 0.078210 1.071577 -0.126677 -0.123944 0.123712 1Rh 5dx2y2 -0.041595 -0.283964 0.163355 -0.190989 0.388737 -0.035223 1Rh 5dxy 0.522490 -0.100952 0.425177 0.174110 -0.116793 -0.010831 1Rh 1f0 0.008176 -0.018505 -0.007869 0.020614 -0.016185 0.029045 1Rh 1f+1 -0.001519 0.007606 0.004736 0.015808 -0.008826 -0.011311 1Rh 1f-1 0.017527 -0.001446 0.014200 0.035006 -0.019060 -0.063710 1Rh 1f+2 -0.003265 0.013222 -0.019372 0.049604 -0.032281 0.060660 1Rh 1f-2 -0.009714 0.003156 0.003089 0.038941 -0.021654 -0.014164 1Rh 1f+3 0.003318 0.021986 0.008943 0.006272 0.000058 -0.037473 1Rh 1f-3 0.002998 0.009593 -0.003191 0.010330 -0.005082 0.010195 2C 1s -0.000696 -0.004680 0.004830 0.002847 -0.001035 0.000767 2C 2s -0.002457 -0.016663 0.022551 0.005489 -0.005338 0.007151 2C 3s -0.009674 0.268007 -0.416652 0.005895 0.083619 -0.156503 2C 4s 0.322545 -1.132709 1.939608 -0.275913 -0.363732 0.795752 2C 5s 2.809379 -0.215633 3.206004 -1.355680 0.262658 -0.175285 2C 1pz -0.029303 0.013261 0.057730 -0.032757 -0.011639 0.034680 2C 1px -0.015686 0.091336 0.005999 0.013642 -0.067344 -0.016394 2C 1py 0.057838 -0.005179 0.062343 -0.006837 -0.012644 0.041786 2C 2pz 0.147362 -0.523754 0.681802 -0.151005 -0.095035 0.303403 2C 2px -0.211683 0.011696 0.081338 -0.066258 0.055139 0.096296 2C 2py -0.001975 -0.376159 0.390509 -0.187724 -0.119164 0.150609 2C 3pz 0.529393 -0.296970 1.218868 -0.496392 0.041247 0.152708 2C 3px 0.302482 0.468349 0.218965 -0.102217 -0.154613 -0.086899 2C 3py 0.313310 -0.298978 0.730360 -0.013174 -0.114893 0.328070 2C 1dz2 0.009075 -0.002218 -0.008449 0.002952 0.000699 -0.010922 2C 1dxz 0.008781 -0.008613 -0.005468 0.000473 0.007772 -0.003954 2C 1dyz -0.009324 0.001926 -0.014081 0.007258 0.007452 -0.010075 2C 1dx2y2 -0.000415 0.006057 0.003242 -0.004445 -0.001671 0.005790 2C 1dxy 0.000324 -0.000050 -0.004609 0.001470 0.003525 0.000936 2C 2dz2 -0.180188 -0.174631 0.173803 -0.138090 0.005481 0.069297 2C 2dxz 0.334970 -0.260264 0.173394 -0.077094 -0.155824 0.035269 2C 2dyz -0.247314 -0.088351 0.221861 -0.042584 -0.073012 0.200127 2C 2dx2y2 -0.241643 0.310934 -0.193948 -0.040862 0.004222 -0.099319 2C 2dxy 0.132782 0.078462 0.085090 0.026381 -0.045950 0.050795 2C 1f0 -0.016028 0.003119 -0.005918 0.004187 -0.000540 -0.002068 2C 1f+1 -0.006090 0.011904 0.000115 0.005841 0.000328 0.000187 2C 1f-1 0.012106 -0.023400 0.005679 0.005551 0.007338 -0.009359 2C 1f+2 0.011640 -0.007456 -0.000071 -0.005027 -0.002815 0.005412 2C 1f-2 0.016283 -0.011920 0.010980 -0.000968 -0.007837 -0.002602 2C 1f+3 -0.002344 -0.008857 -0.006915 -0.004093 -0.003371 -0.003906 2C 1f-3 -0.020619 0.017949 -0.007924 -0.003169 0.002584 -0.005960 3C 1s -0.000570 -0.004757 -0.003138 -0.001851 0.000217 -0.000126 3C 2s 0.000446 -0.017241 -0.016520 -0.000550 0.000079 0.002953 3C 3s -0.055717 0.288929 0.333306 -0.115655 -0.005902 -0.043981 3C 4s 0.216517 -1.274419 -1.598221 0.820746 0.034989 0.233803 3C 5s -1.183679 -0.749675 -3.385378 0.790118 0.308063 1.129310 3C 1pz 0.048506 -0.072047 -0.062772 0.036265 0.002004 -0.019268 3C 1px -0.015025 0.057387 0.004840 0.028113 0.038867 -0.016434 3C 1py -0.007031 -0.044840 0.060834 -0.040119 0.011950 -0.010226 3C 2pz -0.017568 -0.412543 -0.257579 0.206454 -0.008752 0.225193 3C 2px 0.202118 -0.148734 -0.228812 0.057526 -0.113612 0.090732 3C 2py -0.146389 0.548818 0.533552 -0.363783 -0.007201 -0.158515 3C 3pz -0.233452 -0.632716 -0.541819 0.365233 0.098755 0.026926 3C 3px -0.233994 0.142214 -0.425403 0.187445 -0.055317 -0.036410 3C 3py -0.074406 0.274301 1.203758 -0.311210 -0.117852 -0.412769 3C 1dz2 -0.017377 -0.000045 -0.001541 0.004624 0.001276 0.002934 3C 1dxz -0.011097 -0.004235 0.005078 -0.002527 0.000945 -0.003285 3C 1dyz 0.008080 -0.006088 -0.011433 0.008429 -0.002616 0.003524 3C 1dx2y2 -0.005895 0.006394 -0.010796 0.009743 -0.006335 0.003893 3C 1dxy 0.002629 0.004910 -0.005128 0.007566 0.001767 0.004021 3C 2dz2 0.040708 -0.119925 0.024780 -0.029374 -0.024254 -0.079465 3C 2dxz -0.111086 -0.241033 -0.056431 0.137642 0.168403 -0.031553 3C 2dyz -0.443164 0.002578 0.218996 -0.095152 0.116230 0.044954 3C 2dx2y2 0.015405 0.342617 0.176358 -0.114882 0.071813 -0.222412 3C 2dxy 0.135629 0.169598 0.067469 -0.141010 -0.061098 -0.099199 3C 1f0 0.008900 0.025385 -0.006230 0.002985 -0.002751 -0.004147 3C 1f+1 0.012987 0.017038 -0.001737 -0.006479 -0.008119 0.001759 3C 1f-1 -0.009022 -0.004079 -0.001663 0.001107 0.000965 -0.003215 3C 1f+2 0.002499 0.015639 0.008203 -0.001278 -0.002749 0.008865 3C 1f-2 -0.003917 -0.000650 0.003612 0.005521 -0.001096 0.010743 3C 1f+3 0.000874 -0.000277 -0.000073 -0.003879 0.010637 -0.011791 3C 1f-3 -0.019845 -0.012645 -0.000008 0.004538 0.011022 0.007998 4C 1s -0.017475 0.018311 0.018359 -0.000768 -0.009121 0.009703 4C 2s -0.048326 0.052456 0.055784 -0.004136 -0.028278 0.031382 4C 3s 0.218179 -0.369439 -0.642141 0.108087 0.324453 -0.483631 4C 4s 0.152003 1.428242 1.782862 -0.547627 -1.116749 1.619662 4C 5s 0.232614 -0.048518 -0.346819 -0.432493 -0.057195 1.726943 4C 1pz 0.024615 -0.096727 0.081492 0.006402 -0.014039 0.162159 4C 1px 0.089162 0.005022 0.047197 0.027272 -0.077604 0.041389 4C 1py 0.068816 -0.061208 0.079689 -0.173811 -0.013332 -0.034952 4C 2pz 0.090697 -0.398772 0.937071 -0.214158 -0.264194 0.394736 4C 2px -0.081327 -0.091215 0.347582 -0.231530 -0.184679 0.384904 4C 2py -0.094189 -0.267617 0.673404 -0.051851 -0.251514 0.517769 4C 3pz 3.045114 -0.591600 4.294290 -1.203012 -0.198394 1.478584 4C 3px 0.024487 -0.492751 1.275943 -0.232339 -0.273294 0.446903 4C 3py 2.191469 -0.370835 3.064219 -1.604341 -0.139937 0.474913 4C 1dz2 -0.008489 -0.006854 -0.011301 0.006832 0.001131 -0.009315 4C 1dxz 0.000324 -0.008244 -0.002007 0.004456 0.011542 -0.007688 4C 1dyz 0.005174 -0.006395 -0.008463 0.004488 0.010929 -0.003956 4C 1dx2y2 -0.008209 0.004936 0.013929 -0.004307 -0.001037 0.015122 4C 1dxy 0.000058 -0.004468 -0.001868 0.001228 -0.009014 0.005430 4C 2dz2 -0.309350 0.277432 -0.510020 0.130231 0.149866 -0.349689 4C 2dxz -0.045394 0.499941 -0.272133 0.076125 -0.055009 -0.225137 4C 2dyz 0.155268 0.121733 -0.340999 0.125740 0.182739 -0.137962 4C 2dx2y2 0.299633 -0.570992 0.617388 -0.213235 0.007177 0.421777 4C 2dxy 0.297834 -0.201288 0.091675 -0.052559 -0.313860 0.178375 4C 1f0 0.000890 -0.001924 -0.014337 0.002559 0.001716 -0.013075 4C 1f+1 -0.004351 0.007410 -0.038225 0.020076 0.018661 -0.038306 4C 1f-1 -0.006932 -0.011656 0.021953 -0.000185 -0.002226 0.002440 4C 1f+2 0.011315 0.002535 0.017840 -0.001147 -0.005783 0.023632 4C 1f-2 -0.008731 -0.000773 0.007118 0.000252 -0.003554 0.004310 4C 1f+3 0.000096 -0.001070 0.002661 0.009642 -0.001260 0.000695 4C 1f-3 0.003687 0.005049 -0.039030 0.013354 0.016352 -0.045156 5C 1s 0.011823 0.018284 -0.020218 0.003559 -0.005342 0.005214 5C 2s 0.032525 0.052148 -0.060803 0.013031 -0.016610 0.018054 5C 3s -0.126918 -0.329147 0.645941 -0.251266 0.207099 -0.346389 5C 4s -0.155563 1.231979 -1.838803 0.977580 -0.817327 1.276831 5C 5s -0.650769 -0.188397 0.474396 1.332797 -0.017419 0.836799 5C 1pz 0.028998 -0.088138 -0.063540 0.005245 -0.033334 0.184643 5C 1px -0.073787 -0.031668 -0.017470 0.033173 0.036648 0.054513 5C 1py -0.004029 0.083989 0.064630 -0.160489 -0.005427 0.053104 5C 2pz -0.073670 -0.284656 -0.530687 0.392678 -0.223136 0.164753 5C 2px 0.115325 -0.062840 -0.130249 0.027388 0.352213 -0.058823 5C 2py -0.279632 0.521329 0.870105 -0.426656 0.250594 -0.469765 5C 3pz -0.499429 -0.596483 -2.681173 0.903396 -0.014010 1.265793 5C 3px -0.022474 -0.556419 -1.394503 0.586158 0.731351 0.793665 5C 3py 1.611448 1.325929 4.250550 -2.185743 -0.289371 -0.941169 5C 1dz2 0.017684 0.002163 -0.000832 -0.005319 0.004619 -0.007408 5C 1dxz 0.006507 -0.004323 0.013866 -0.008650 -0.000868 -0.009383 5C 1dyz -0.008952 0.004279 -0.008917 0.006994 -0.001252 0.000958 5C 1dx2y2 0.016224 0.008182 -0.012255 0.009378 -0.004739 0.006384 5C 1dxy 0.004120 0.008440 -0.003742 0.003551 -0.007215 0.005564 5C 2dz2 0.453276 0.268321 0.013592 -0.137145 -0.024244 -0.221061 5C 2dxz 0.102749 0.497914 0.453478 -0.304563 0.042474 -0.308972 5C 2dyz 0.003532 0.096178 -0.187016 0.103905 0.074444 -0.000748 5C 2dx2y2 -0.034831 -0.671875 -0.432978 0.409620 0.119112 0.239471 5C 2dxy 0.238740 -0.367941 -0.312058 0.195883 -0.341132 0.215417 5C 1f0 -0.003266 0.013249 0.031452 -0.023435 0.014192 -0.015676 5C 1f+1 -0.005442 0.005700 0.022862 -0.016189 -0.002942 -0.013545 5C 1f-1 0.009549 0.003936 0.002882 -0.000019 0.000818 -0.004567 5C 1f+2 -0.008323 0.008436 0.011235 0.004942 -0.007850 -0.004406 5C 1f-2 -0.006438 -0.004829 -0.018064 0.019391 -0.012811 0.019812 5C 1f+3 0.005681 0.002348 0.012569 -0.009279 -0.000840 -0.021763 5C 1f-3 -0.002802 -0.005578 -0.030763 0.029139 -0.012108 0.030930 6C 1s -0.012778 0.017120 -0.020277 -0.002242 -0.004870 -0.005228 6C 2s -0.035248 0.048925 -0.061189 -0.009048 -0.015056 -0.018086 6C 3s 0.145474 -0.314424 0.660491 0.210772 0.181553 0.349319 6C 4s 0.084134 1.244179 -1.909769 -0.853963 -0.737998 -1.296101 6C 5s 0.644815 -0.140178 0.366713 -1.354562 0.001966 -0.854385 6C 1pz 0.024366 0.085813 0.065932 0.001023 0.016979 0.185485 6C 1px -0.074985 0.025910 0.020872 0.032590 -0.040873 0.049355 6C 1py 0.000681 -0.082022 -0.078786 -0.156983 -0.004232 0.054677 6C 2pz -0.090195 0.281126 0.564776 0.353604 0.220042 0.177021 6C 2px 0.116830 0.062366 0.135336 0.050577 -0.362174 -0.103488 6C 2py -0.251334 -0.523847 -0.910106 -0.373646 -0.217507 -0.475598 6C 3pz -0.515415 0.487962 2.771658 0.749939 -0.068334 1.207384 6C 3px -0.033725 0.518234 1.459754 0.547601 -0.763273 0.691439 6C 3py 1.651885 -1.121194 -4.451990 -1.959600 0.294490 -0.825382 6C 1dz2 -0.017765 0.001549 -0.000384 0.005568 0.004107 0.007640 6C 1dxz -0.006273 -0.004520 0.014549 0.007328 -0.001311 0.009093 6C 1dyz 0.008741 0.004685 -0.009585 -0.006315 -0.001282 -0.000666 6C 1dx2y2 -0.016621 0.007586 -0.013009 -0.008566 -0.004518 -0.006355 6C 1dxy -0.004574 0.008258 -0.004073 -0.003331 -0.007033 -0.005867 6C 2dz2 -0.464691 0.242860 0.026412 0.145351 -0.043495 0.213588 6C 2dxz -0.127565 0.486865 0.481565 0.272177 0.025235 0.311611 6C 2dyz -0.008309 0.094166 -0.198863 -0.095550 0.076364 0.016661 6C 2dx2y2 0.066911 -0.649496 -0.470467 -0.399070 0.134251 -0.216404 6C 2dxy -0.216758 -0.375742 -0.332959 -0.172399 -0.332081 -0.244278 6C 1f0 -0.002491 -0.013535 -0.033293 -0.021188 -0.013451 -0.016460 6C 1f+1 -0.005317 -0.005850 -0.024133 -0.015478 0.003963 -0.012664 6C 1f-1 0.009766 -0.003604 -0.002928 0.000347 -0.000455 -0.004604 6C 1f+2 -0.007916 -0.008925 -0.010999 0.005138 0.008733 -0.003293 6C 1f-2 -0.006709 0.004392 0.019556 0.017789 0.011966 0.020919 6C 1f+3 0.005612 -0.001846 -0.013394 -0.009313 0.002661 -0.021163 6C 1f-3 -0.002903 0.005332 0.033000 0.027260 0.010147 0.031450 7C 1s 0.016589 0.018858 0.018292 -0.000023 -0.008136 -0.010693 7C 2s 0.045790 0.053968 0.055702 0.001685 -0.025068 -0.034449 7C 3s -0.201825 -0.374469 -0.644526 -0.079346 0.276989 0.516603 7C 4s -0.218073 1.417799 1.808415 0.475637 -0.959745 -1.728771 7C 5s -0.216089 -0.053654 -0.321492 0.452701 0.114152 -1.709976 7C 1pz 0.019166 0.094469 -0.081204 0.010634 -0.000029 0.162949 7C 1px 0.088360 -0.000861 -0.044775 0.028492 0.073963 0.049117 7C 1py 0.063833 0.064010 -0.092970 -0.169153 0.009812 -0.032689 7C 2pz 0.056951 0.396415 -0.951613 -0.181035 0.212644 0.417878 7C 2px -0.088133 0.090504 -0.358314 -0.198094 0.161058 0.389376 7C 2py -0.114987 0.253393 -0.676644 -0.021602 0.205738 0.536931 7C 3pz 2.982198 0.678388 -4.369360 -0.969419 0.038508 1.580349 7C 3px -0.010914 0.470960 -1.282549 -0.142843 0.222544 0.473878 7C 3py 2.155406 0.468541 -3.194830 -1.429997 0.045004 0.546337 7C 1dz2 0.008887 -0.005674 -0.012054 -0.006031 0.000241 0.009431 7C 1dxz -0.000059 -0.007909 -0.002459 -0.004895 0.010611 0.008859 7C 1dyz -0.004861 -0.007196 -0.008681 -0.004352 0.010297 0.005290 7C 1dx2y2 0.007922 0.005975 0.013926 0.003287 0.000450 -0.015158 7C 1dxy 0.000225 -0.004591 -0.001951 -0.000575 -0.008727 -0.006348 7C 2dz2 0.288757 0.295596 -0.518703 -0.101521 0.117183 0.361217 7C 2dxz 0.016574 0.496097 -0.279735 -0.072352 -0.081490 0.220768 7C 2dyz -0.166329 0.104557 -0.351428 -0.117033 0.163434 0.155377 7C 2dx2y2 -0.263357 -0.573164 0.628885 0.175586 0.052136 -0.419107 7C 2dxy -0.283087 -0.215574 0.093010 0.054100 -0.300699 -0.207305 7C 1f0 0.000993 0.002162 0.014494 0.001949 -0.000407 -0.013291 7C 1f+1 -0.003589 -0.007534 0.039323 0.018340 -0.014526 -0.039924 7C 1f-1 -0.007741 0.011257 -0.021997 0.000837 0.001676 0.002820 7C 1f+2 0.011332 -0.001860 -0.017693 -0.000775 0.003339 0.024121 7C 1f-2 -0.008923 0.000364 -0.006977 0.000639 0.003255 0.004472 7C 1f+3 -0.000129 0.000906 -0.002122 0.009168 0.001203 0.001207 7C 1f-3 0.004165 -0.004909 0.039670 0.011170 -0.012303 -0.046398 8C 1s 0.000790 -0.004828 -0.002904 0.001959 0.000388 0.000200 8C 2s 0.000376 -0.017494 -0.016277 0.001284 0.000787 -0.002594 8C 3s 0.041130 0.289384 0.343538 0.099241 -0.010958 0.036799 8C 4s -0.151935 -1.257732 -1.676992 -0.740406 0.044876 -0.200631 8C 5s 1.200136 -0.576604 -3.479143 -0.614022 0.363750 -1.016497 8C 1pz 0.045005 0.069877 0.065776 0.032688 0.001055 -0.019904 8C 1px -0.011013 -0.059454 -0.003112 0.028682 -0.036138 -0.021787 8C 1py -0.008971 0.043219 -0.065317 -0.036235 -0.012712 -0.010127 8C 2pz -0.039611 0.405442 0.279669 0.196014 -0.007865 0.219074 8C 2px 0.194175 0.152941 0.238071 0.044674 0.104797 0.097022 8C 2py -0.116925 -0.545647 -0.569205 -0.336434 0.015872 -0.147459 8C 3pz -0.263029 0.602915 0.574435 0.342654 -0.086317 0.008275 8C 3px -0.223005 -0.172757 0.444162 0.163543 0.060066 -0.047039 8C 3py -0.063428 -0.257785 -1.236718 -0.247448 0.142719 -0.377595 8C 1dz2 0.017410 0.000514 -0.001964 -0.004482 0.001474 -0.002698 8C 1dxz 0.011293 -0.003851 0.005300 0.002157 0.000825 0.003212 8C 1dyz -0.007720 -0.006028 -0.012201 -0.007757 -0.002495 -0.003493 8C 1dx2y2 0.005597 0.006468 -0.011633 -0.008842 -0.006203 -0.004261 8C 1dxy -0.002984 0.004820 -0.005810 -0.007283 0.001733 -0.003477 8C 2dz2 -0.032155 -0.118904 0.028029 0.025905 -0.030057 0.075024 8C 2dxz 0.120949 -0.231855 -0.066827 -0.138924 0.163421 0.049264 8C 2dyz 0.441509 0.024771 0.228469 0.079035 0.123262 -0.035665 8C 2dx2y2 -0.034300 0.340200 0.189492 0.105202 0.052324 0.224804 8C 2dxy -0.146551 0.161839 0.080138 0.142604 -0.070074 0.089513 8C 1f0 0.010390 -0.024650 0.006274 0.002112 0.003431 -0.003974 8C 1f+1 0.013798 -0.016132 0.001079 -0.006890 0.007877 0.002708 8C 1f-1 -0.009240 0.003477 0.001739 0.001264 -0.000752 -0.003278 8C 1f+2 0.003221 -0.015051 -0.008415 -0.000825 0.001870 0.008948 8C 1f-2 -0.003816 0.000595 -0.003390 0.005564 0.000394 0.010950 8C 1f+3 0.001103 0.000243 -0.000261 -0.003798 -0.009735 -0.012687 8C 1f-3 -0.020393 0.011438 0.000325 0.004934 -0.011825 0.006829 9C 1s 0.000919 -0.004756 0.004558 -0.003139 -0.001104 -0.000851 9C 2s 0.003339 -0.016804 0.021962 -0.006770 -0.004974 -0.007653 9C 3s -0.007029 0.267400 -0.416239 0.014160 0.069590 0.164091 9C 4s -0.244816 -1.130704 1.960091 0.189649 -0.280816 -0.827905 9C 5s -2.786267 -0.308851 3.305101 1.154594 0.278594 0.097027 9C 1pz -0.027001 -0.014979 -0.060629 -0.031185 0.007087 0.036139 9C 1px -0.011776 -0.092183 -0.004511 0.013236 0.068430 -0.009837 9C 1py 0.054472 0.006266 -0.062811 -0.003698 0.009655 0.042582 9C 2pz 0.110812 0.523368 -0.693445 -0.117392 0.059366 0.310869 9C 2px -0.210751 -0.026414 -0.087105 -0.063004 -0.066651 0.090130 9C 2py -0.029157 0.365331 -0.405465 -0.174016 0.096785 0.161683 9C 3pz 0.508946 0.323321 -1.252094 -0.424411 -0.072710 0.169882 9C 3px 0.322988 -0.453736 -0.229055 -0.096423 0.155220 -0.065017 9C 3py 0.293207 0.286802 -0.735045 0.019857 0.092041 0.350606 9C 1dz2 -0.008868 -0.003181 -0.008473 -0.002501 -0.000393 0.010881 9C 1dxz -0.008439 -0.009317 -0.005409 -0.000265 0.007133 0.004756 9C 1dyz 0.008958 0.002501 -0.014730 -0.006714 0.006309 0.010874 9C 1dx2y2 0.000257 0.005825 0.003706 0.004431 -0.001101 -0.005942 9C 1dxy -0.000329 -0.000269 -0.004685 -0.001162 0.003478 -0.000625 9C 2dz2 0.192108 -0.157451 0.181685 0.129715 0.019876 -0.065308 9C 2dxz -0.319435 -0.274025 0.175004 0.066905 -0.149927 -0.047937 9C 2dyz 0.255763 -0.075211 0.227891 0.038015 -0.052256 -0.204932 9C 2dx2y2 0.224052 0.324866 -0.192700 0.054289 -0.003081 0.101383 9C 2dxy -0.131636 0.067578 0.082714 -0.032265 -0.041446 -0.055683 9C 1f0 -0.015886 -0.004658 0.006225 0.003209 0.000988 -0.002007 9C 1f+1 -0.005842 -0.012138 0.000278 0.005885 -0.000129 0.000184 9C 1f-1 0.010607 0.023736 -0.005253 0.005918 -0.006353 -0.010137 9C 1f+2 0.010803 0.007717 0.000184 -0.004708 0.002091 0.005756 9C 1f-2 0.015613 0.012566 -0.010944 -0.000783 0.008209 -0.002060 9C 1f+3 -0.002402 0.008710 0.006454 -0.004333 0.003781 -0.003438 9C 1f-3 -0.019986 -0.018728 0.007890 -0.003876 -0.002369 -0.006422 10H 1s -0.029187 0.063864 -0.020503 0.004493 -0.012832 -0.000342 10H 2s 0.561061 -0.422318 0.170640 -0.036838 -0.100075 0.069225 10H 3s -0.400643 -0.285633 0.072239 0.027166 0.060971 0.266083 10H 1pz 0.055053 -0.040795 0.014405 -0.010165 -0.012467 -0.017815 10H 1px -0.007397 -0.009053 0.010786 0.000893 0.012428 -0.003104 10H 1py 0.027138 -0.006042 0.002801 0.013735 -0.004003 -0.000054 11H 1s 0.044104 -0.030148 0.003051 -0.003573 0.001792 -0.008342 11H 2s -0.305746 0.341560 -0.038792 0.059288 0.062739 0.107610 11H 3s 0.022202 0.016236 0.242975 -0.060511 -0.102227 0.089527 11H 1pz -0.040318 0.043393 -0.040839 0.010330 0.014553 0.002988 11H 1px 0.012538 -0.011728 0.003029 -0.023207 0.014866 -0.008580 11H 1py -0.010624 -0.003997 -0.010417 -0.011258 -0.007449 -0.015304 12H 1s 0.017194 0.002529 -0.002102 0.009312 0.009005 0.003261 12H 2s -0.370755 0.094394 -0.102915 -0.157309 -0.057823 0.006534 12H 3s -0.030871 -0.084894 0.160059 0.135943 -0.204514 0.232587 12H 1pz -0.013535 -0.004471 -0.008166 0.009541 0.004904 -0.000690 12H 1px 0.016347 -0.040808 -0.000140 0.009204 0.006592 0.014095 12H 1py -0.065024 0.020972 -0.038228 -0.025373 0.002252 -0.018053 13H 1s 0.010256 0.061447 0.012212 -0.003859 -0.004704 -0.014894 13H 2s -0.399391 -0.379393 0.056957 0.198180 0.198438 0.152847 13H 3s 0.256037 -0.262904 -0.063421 0.104028 -0.020121 -0.020470 13H 1pz -0.026518 0.002367 0.012417 0.012263 0.004621 0.003976 13H 1px 0.014486 -0.003203 -0.021914 -0.002796 -0.016501 -0.018283 13H 1py 0.048935 0.046941 -0.002702 -0.006619 -0.012227 -0.027118 14H 1s -0.014552 0.014743 0.000999 0.007442 0.001962 -0.019004 14H 2s 0.115314 0.017337 -0.005261 -0.016551 -0.200443 0.198451 14H 3s -0.018836 -0.088461 -0.022509 0.168740 0.034369 -0.145584 14H 1pz 0.020716 0.042441 0.018540 -0.027115 -0.015785 0.034472 14H 1px -0.009616 -0.024125 0.006872 0.000752 -0.022420 0.016647 14H 1py 0.009702 0.021674 -0.005610 0.002975 -0.002050 0.005949 15H 1s -0.016912 -0.041833 0.001120 0.000230 0.005214 -0.004613 15H 2s 0.378078 0.389490 -0.039240 0.006516 -0.050197 -0.175614 15H 3s 0.119346 0.039252 -0.193864 0.083050 0.036927 0.026804 15H 1pz -0.001618 0.014810 0.017820 -0.011527 -0.006765 0.004452 15H 1px 0.011045 -0.006308 0.004929 -0.012189 0.007432 0.026001 15H 1py -0.055993 -0.043405 -0.023707 0.015239 0.013944 0.010349 16H 1s 0.007734 0.025346 -0.036003 0.015485 -0.007100 -0.016359 16H 2s 0.160430 0.014326 -0.027274 0.485497 0.736573 -0.148826 16H 3s -0.010970 -0.012437 -0.089978 0.119175 0.094180 -0.023332 16H 1pz 0.006445 0.001627 0.047392 0.071009 0.095945 0.049275 16H 1px 0.057475 0.032129 -0.124120 0.099856 0.139057 -0.199641 16H 1py -0.022805 -0.041599 -0.058869 -0.163750 -0.160802 -0.118150 17H 1s -0.007392 0.033880 0.024646 0.016771 -0.002800 0.002671 17H 2s 0.089042 0.007662 0.052431 0.524641 0.765408 0.071213 17H 3s 0.021809 -0.015796 0.084058 0.108245 0.077171 -0.018365 17H 1pz -0.028591 -0.041319 -0.047172 -0.151540 -0.194828 -0.036753 17H 1px -0.009598 0.059351 0.110299 0.067757 0.094387 0.160364 17H 1py -0.034345 -0.018678 0.042428 -0.100030 -0.083438 0.148066 18H 1s 0.005118 0.034285 0.021984 -0.018484 -0.003564 -0.001683 18H 2s -0.095092 0.000258 0.020411 -0.552008 0.752611 -0.024922 18H 3s -0.021197 -0.015211 0.071736 -0.114024 0.071358 0.022630 18H 1pz -0.030667 0.038839 0.039873 -0.158321 0.188483 -0.027470 18H 1px -0.004700 -0.059135 -0.102829 0.082728 -0.102429 0.148267 18H 1py -0.035732 0.017815 -0.046164 -0.099474 0.073401 0.149778 19H 1s -0.009039 0.024787 -0.037912 -0.011583 -0.009234 0.016975 19H 2s -0.167907 0.003990 -0.054740 -0.508545 0.711510 0.188473 19H 3s 0.010379 -0.014804 -0.099998 -0.114822 0.086374 0.033543 19H 1pz 0.007759 -0.001632 -0.044855 0.084316 -0.102150 0.044964 19H 1px 0.059901 -0.029897 0.127961 0.092133 -0.123579 -0.205912 19H 1py -0.024691 0.038460 0.048589 -0.173099 0.159803 -0.105514 20H 1s 0.018917 -0.038970 0.000871 -0.000855 0.004659 0.004763 20H 2s -0.398682 0.363520 -0.038115 0.001699 -0.068092 0.168690 20H 3s -0.119213 0.029651 -0.199821 -0.072348 0.041210 -0.020467 20H 1pz -0.001121 -0.013678 -0.018761 -0.010593 0.005685 0.005292 20H 1px 0.010603 0.007180 -0.005313 -0.011353 -0.009742 0.025714 20H 1py -0.058156 0.040010 0.025406 0.014956 -0.014489 0.008860 21H 1s 0.014099 0.014806 0.000370 -0.007165 0.000005 0.018758 21H 2s -0.114883 0.015465 -0.006854 0.019014 -0.181986 -0.215524 21H 3s 0.023097 -0.088921 -0.035203 -0.172346 0.019915 0.150624 21H 1pz 0.022560 -0.040189 -0.020561 -0.026316 0.012335 0.036213 21H 1px -0.011376 0.023703 -0.006419 0.001288 0.020523 0.018500 21H 1py 0.010529 -0.020547 0.006263 0.002621 0.002020 0.006211 22H 1s -0.013740 0.060720 0.012605 0.003690 -0.006418 0.014458 22H 2s 0.419197 -0.359196 0.041713 -0.208502 0.209335 -0.133112 22H 3s -0.241249 -0.283245 -0.069582 -0.098792 -0.025456 0.011722 22H 1pz -0.026208 -0.002704 -0.011477 0.012789 -0.004969 0.002888 22H 1px 0.014072 0.004007 0.021914 -0.004518 0.017728 -0.016681 22H 1py 0.051328 -0.043766 0.001877 -0.007467 0.014664 -0.025889 23H 1s -0.018333 0.000531 -0.002335 -0.009209 0.008902 -0.002132 23H 2s 0.369163 0.130057 -0.094066 0.169207 -0.050851 -0.007408 23H 3s 0.038846 -0.081220 0.152980 -0.135372 -0.187837 -0.246190 23H 1pz -0.014548 0.002365 0.009902 0.009911 -0.004160 -0.001287 23H 1px 0.014616 0.040415 0.000500 0.009528 -0.006955 0.014089 23H 1py -0.063348 -0.025341 0.036869 -0.027246 -0.001824 -0.018288 24H 1s -0.041689 -0.031158 0.003006 0.003950 0.000761 0.008716 24H 2s 0.285945 0.344658 -0.037456 -0.056938 0.074307 -0.102481 24H 3s -0.020902 0.010743 0.246085 0.049267 -0.088271 -0.094991 24H 1pz -0.038321 -0.043587 0.040896 0.009130 -0.014232 0.001978 24H 1px 0.012244 0.013219 -0.005024 -0.022311 -0.015911 -0.010036 24H 1py -0.009685 0.004807 0.009031 -0.012304 0.007999 -0.015036 25H 1s 0.025877 0.065607 -0.020714 -0.002605 -0.012800 -0.000565 25H 2s -0.536209 -0.453376 0.170235 0.021850 -0.092936 -0.078300 25H 3s 0.415357 -0.267237 0.067815 -0.027685 0.083094 -0.251830 25H 1pz 0.052396 0.042469 -0.014702 -0.009139 0.013160 -0.016482 25H 1px -0.007683 0.008343 -0.011063 0.000489 -0.012242 -0.004661 25H 1py 0.027374 0.009038 -0.002607 0.014006 0.004166 0.001197 26O 1s -0.006120 -0.002708 -0.000058 0.000075 -0.005317 0.002359 26O 2s -0.013462 -0.004331 -0.000707 -0.000316 -0.012371 0.003706 26O 3s -0.001232 -0.045978 0.026618 -0.000169 -0.006140 0.060968 26O 4s 0.204988 0.456772 0.042012 -0.004955 0.257291 -0.453025 26O 5s -1.608767 -0.171391 -3.326814 0.898559 0.398708 -0.843415 26O 1pz 0.046820 -0.040629 -0.024017 0.012575 0.031473 0.012877 26O 1px 0.054761 -0.031123 0.025551 -0.003958 -0.024079 0.013700 26O 1py 0.046393 -0.036741 0.003119 -0.021734 0.035700 -0.009595 26O 2pz 0.195465 -0.112338 0.105642 -0.043847 0.026915 0.133771 26O 2px 0.188878 -0.155923 0.318782 -0.073483 -0.135562 0.271206 26O 2py 0.185536 -0.129810 0.181341 -0.137888 -0.031312 0.116776 26O 3pz -0.724152 -0.202141 -0.716373 -0.169755 -0.245073 0.159734 26O 3px 0.304720 0.313843 0.926082 -0.592182 -0.639373 0.822661 26O 3py -0.362135 0.089827 0.145224 0.151418 0.009227 0.815206 26O 1dz2 -0.006437 0.000293 0.000498 0.002205 0.000961 -0.004990 26O 1dxz -0.002687 -0.005798 0.004296 -0.003279 -0.002121 0.003401 26O 1dyz -0.005233 -0.002287 0.007054 0.000053 -0.001498 -0.002243 26O 1dx2y2 0.005293 0.001147 -0.000735 -0.000003 -0.004286 0.002523 26O 1dxy 0.000592 -0.002202 0.008149 -0.003254 0.001025 0.003934 26O 2dz2 0.001745 0.022011 0.101720 -0.015634 -0.019734 0.162898 26O 2dxz 0.014956 -0.004400 -0.031837 0.056100 0.034650 0.000426 26O 2dyz 0.016187 0.002333 0.035754 -0.085278 -0.050061 0.055890 26O 2dx2y2 0.027052 -0.009979 -0.055702 0.042489 0.031523 -0.048474 26O 2dxy 0.019615 -0.008179 -0.048566 0.013167 0.057991 -0.060431 26O 1f0 0.001246 0.002584 -0.001810 -0.001770 -0.001642 -0.001367 26O 1f+1 0.006186 -0.001797 -0.004515 0.001573 0.002742 -0.003601 26O 1f-1 0.003659 0.000597 -0.004319 -0.001545 0.000931 0.003459 26O 1f+2 -0.003701 -0.003267 0.001698 0.002235 0.002003 0.000201 26O 1f-2 0.001871 -0.001333 0.001344 -0.000879 0.000356 0.003213 26O 1f+3 0.002628 -0.003634 -0.003020 -0.003102 0.002263 -0.004208 26O 1f-3 0.003691 -0.002172 -0.007541 0.002843 0.001759 -0.005917 27O 1s 0.002737 -0.000268 0.007479 0.002529 0.006427 0.004926 27O 2s 0.006929 0.001086 0.016868 0.006366 0.014405 0.012566 27O 3s -0.021287 -0.043183 0.000748 0.002381 0.015008 -0.010851 27O 4s 0.076672 0.314716 -0.582340 -0.165242 -0.477366 -0.177090 27O 5s 0.363695 0.428085 3.772568 -0.783943 0.748700 -0.690158 27O 1pz -0.030178 -0.031156 -0.009289 0.002765 -0.009463 0.008594 27O 1px -0.049371 -0.050998 -0.009838 -0.020611 0.020376 -0.021265 27O 1py 0.022738 0.055938 0.004115 -0.006387 0.025944 0.044252 27O 2pz -0.087432 -0.071782 -0.052882 0.023065 -0.037476 0.081451 27O 2px -0.157430 -0.225912 -0.239869 0.122785 0.076008 0.107295 27O 2py 0.073004 0.171246 0.146517 -0.123924 0.019491 0.006544 27O 3pz 0.242752 -0.004387 0.592465 0.120947 0.431774 -0.308582 27O 3px -0.050881 0.402721 -0.347755 0.852036 0.336261 0.623482 27O 3py -0.190992 -0.135989 -1.114949 0.025315 -0.299188 -0.559310 27O 1dz2 0.001583 0.001016 0.003266 -0.001037 -0.000686 -0.002012 27O 1dxz 0.001495 -0.003850 -0.006274 0.000740 0.000118 0.002519 27O 1dyz -0.004657 0.000485 0.007123 0.001246 0.001958 -0.000351 27O 1dx2y2 -0.005768 0.000470 0.002446 0.002277 0.004072 0.000370 27O 1dxy -0.005838 0.005755 0.006232 -0.000468 0.003571 -0.003019 27O 2dz2 0.000665 0.014449 -0.009283 -0.042740 -0.022739 0.061267 27O 2dxz -0.023902 -0.002422 -0.011165 0.031145 -0.013417 0.045438 27O 2dyz 0.010213 -0.013231 0.017996 -0.034894 -0.014773 -0.116516 27O 2dx2y2 -0.034336 -0.025210 0.058272 -0.064290 -0.033634 0.006032 27O 2dxy -0.021186 0.003399 -0.015787 -0.058942 0.014025 -0.000547 27O 1f0 0.000653 0.001989 -0.002740 -0.000313 -0.000536 -0.003491 27O 1f+1 -0.004469 -0.002062 0.005469 -0.000716 -0.000284 -0.001631 27O 1f-1 0.001888 -0.000349 -0.001886 0.000290 -0.000754 -0.000765 27O 1f+2 0.001993 -0.004406 -0.001975 -0.003292 -0.002276 0.001296 27O 1f-2 0.002968 -0.001178 -0.001864 -0.003480 -0.001236 -0.001923 27O 1f+3 -0.003374 -0.003348 0.006045 0.003421 0.001927 -0.003996 27O 1f-3 0.001556 -0.002503 -0.005431 0.001522 -0.000934 -0.000094 28O 1s -0.002223 -0.004288 -0.007000 -0.000442 0.004237 0.007946 28O 2s -0.001470 -0.007700 -0.016225 -0.001853 0.009675 0.019870 28O 3s -0.073744 -0.054257 0.013183 0.012648 0.003519 -0.012791 28O 4s 0.625547 0.615042 0.471281 -0.040027 -0.346377 -0.346629 28O 5s -2.867576 -0.495751 -3.906245 0.608619 1.153546 -0.396632 28O 1pz 0.011081 -0.070625 0.029057 0.014292 0.017782 -0.030891 28O 1px -0.011409 0.023651 -0.000375 -0.015913 -0.023212 0.025782 28O 1py -0.009715 -0.041259 0.006383 -0.021906 -0.016974 -0.034061 28O 2pz 0.181501 -0.230401 0.309184 -0.028744 -0.039136 0.131429 28O 2px -0.028982 0.154803 -0.191601 0.019788 -0.030959 -0.054525 28O 2py 0.073003 -0.079355 0.114904 -0.102431 -0.020442 -0.009412 28O 3pz -0.510882 0.270456 -0.718817 -0.404773 0.419454 0.616637 28O 3px -0.436624 -0.414355 -0.746041 0.319713 0.403590 -0.668708 28O 3py -0.502875 -0.111140 -0.912148 0.435566 -0.064554 0.487624 28O 1dz2 0.008729 -0.002326 0.009255 -0.000141 -0.001813 0.002421 28O 1dxz -0.001175 0.002043 -0.001779 0.000481 -0.001224 -0.002688 28O 1dyz 0.010162 -0.001668 0.008908 -0.000032 -0.006839 0.000720 28O 1dx2y2 -0.003782 0.001194 -0.003397 -0.000290 0.001370 -0.000698 28O 1dxy 0.001104 0.003193 0.000691 -0.000303 0.003460 -0.001439 28O 2dz2 0.064853 -0.014892 0.003224 0.007371 -0.035378 0.090021 28O 2dxz 0.011215 0.010367 0.056613 0.042093 -0.048926 0.058670 28O 2dyz 0.069023 0.013516 0.018866 -0.071778 0.006293 0.070787 28O 2dx2y2 -0.012425 -0.010628 -0.054931 0.054442 -0.010944 0.006534 28O 2dxy 0.031756 0.018037 0.019006 0.025658 0.016888 0.040385 28O 1f0 0.002262 -0.002180 -0.002906 0.000487 0.000140 0.000846 28O 1f+1 -0.002154 0.000351 -0.005902 -0.002984 0.003582 -0.003074 28O 1f-1 0.000263 0.001083 -0.002659 -0.003761 0.001942 0.002991 28O 1f+2 0.000361 0.003381 0.008259 0.001862 -0.003822 0.001524 28O 1f-2 -0.002913 0.000579 -0.003985 0.003332 0.000834 0.002324 28O 1f+3 -0.000680 0.003025 0.001661 0.000440 -0.001659 0.001708 28O 1f-3 -0.001155 0.001055 -0.001908 0.000458 0.000546 0.000883 29O 1s 0.000124 -0.001395 -0.000056 -0.003198 -0.003089 0.000336 29O 2s 0.000679 -0.004275 -0.000352 -0.006603 -0.004844 0.000500 29O 3s -0.007894 0.020779 0.005312 -0.016815 -0.043883 0.006924 29O 4s 0.048027 -0.111646 -0.017267 0.300381 0.523802 -0.051463 29O 5s -0.171530 0.537544 -0.003158 -0.962110 -1.869866 0.115591 29O 1pz 0.007497 0.023471 0.008782 0.012063 0.002164 -0.005229 29O 1px -0.000596 -0.052853 0.004869 -0.027427 -0.002642 0.004339 29O 1py 0.020321 0.005730 0.000541 0.026875 0.012249 -0.005112 29O 2pz -0.009296 0.013939 0.086787 0.015213 0.032382 0.048434 29O 2px -0.011458 -0.018614 0.029752 -0.039630 -0.065281 0.016802 29O 2py 0.000470 -0.039151 -0.000034 -0.044716 -0.029526 0.008743 29O 3pz 0.108008 0.061456 -0.380054 0.117566 0.076983 -0.433174 29O 3px -0.042322 -0.257656 -0.131939 -0.299281 -0.158368 -0.107060 29O 3py 0.106454 0.093568 0.039478 0.769978 1.019079 -0.043630 29O 1dz2 0.000112 0.001134 -0.003277 -0.002955 -0.004747 -0.003221 29O 1dxz -0.001694 0.003209 0.003776 -0.000598 -0.003231 0.005931 29O 1dyz 0.001324 0.001426 0.000455 0.003448 0.004041 0.002693 29O 1dx2y2 -0.000211 -0.005167 0.001458 -0.002779 0.000905 0.002908 29O 1dxy -0.000800 -0.002808 -0.000207 -0.006099 -0.006917 0.001399 29O 2dz2 -0.046206 -0.051288 -0.079940 -0.197581 -0.252175 -0.085856 29O 2dxz -0.033885 0.002792 0.100236 -0.066432 -0.124864 0.169171 29O 2dyz -0.012925 0.026577 0.044791 0.099436 0.121107 0.122653 29O 2dx2y2 -0.032876 0.006971 0.035816 -0.126232 -0.064363 0.096599 29O 2dxy -0.009273 -0.025880 0.004961 -0.084702 -0.134943 0.048634 29O 1f0 -0.000707 -0.003692 0.001323 -0.003115 0.000289 0.000185 29O 1f+1 0.000620 0.002218 0.000740 0.002028 0.000328 -0.000007 29O 1f-1 -0.000420 -0.002331 0.003312 -0.000676 0.001127 0.000898 29O 1f+2 -0.000137 0.002835 -0.001779 0.002838 0.000075 -0.002129 29O 1f-2 0.001833 -0.001618 -0.003434 0.000384 0.001865 0.000503 29O 1f+3 -0.000589 0.003954 0.001115 0.002969 0.000879 -0.000177 29O 1f-3 0.000319 0.001923 0.001740 0.001850 0.001781 -0.000600 30O 1s -0.001666 -0.004924 0.001384 0.002493 -0.007374 0.001185 30O 2s -0.006069 -0.009031 0.003320 0.006333 -0.016506 0.001036 30O 3s 0.048803 -0.060084 -0.015916 0.005877 -0.020737 0.052347 30O 4s -0.288786 0.653377 -0.165714 -0.154503 0.472071 -0.340451 30O 5s 1.392517 -0.037182 3.279722 -1.105862 -0.229394 -0.684513 30O 1pz 0.003857 -0.047153 0.007507 -0.012397 0.003671 0.033771 30O 1px 0.007532 0.019629 0.024361 -0.012476 0.041091 0.005557 30O 1py -0.031279 0.061595 -0.007996 -0.005059 -0.047791 0.004968 30O 2pz -0.049863 -0.194172 -0.180718 0.106945 -0.044167 0.220057 30O 2px -0.012931 0.161474 0.183857 -0.075848 0.137007 -0.107313 30O 2py -0.005818 0.231025 0.198845 -0.198236 0.000861 -0.119498 30O 3pz 0.098760 0.051184 0.080260 0.585032 -0.711030 -0.045237 30O 3px 0.237205 -0.256490 1.185393 -0.558148 0.283703 -0.549884 30O 3py -0.095390 -0.017158 -0.050843 -0.323773 0.696384 -0.659527 30O 1dz2 -0.000089 -0.001442 0.002439 0.001079 -0.000986 0.000825 30O 1dxz -0.000069 0.001246 0.000057 -0.002441 0.004205 -0.003978 30O 1dyz 0.008164 0.003641 0.008460 -0.003042 0.000098 -0.000331 30O 1dx2y2 0.006287 0.003681 0.004257 -0.003952 -0.002670 0.000625 30O 1dxy 0.005000 -0.002922 -0.002209 0.004708 -0.001560 0.003776 30O 2dz2 -0.016223 -0.003102 -0.000721 -0.062573 0.008226 0.080977 30O 2dxz 0.004417 -0.010751 -0.083626 0.055872 -0.052554 0.087207 30O 2dyz 0.055234 -0.004879 0.001520 -0.058950 -0.015471 -0.040130 30O 2dx2y2 0.008525 0.013780 0.021395 -0.031429 0.004012 0.014585 30O 2dxy 0.037476 0.000856 0.094976 -0.116475 0.096040 -0.079828 30O 1f0 -0.001529 -0.002025 0.003055 -0.005143 0.003497 -0.003011 30O 1f+1 -0.000448 0.001274 0.000785 0.000633 -0.000935 -0.003184 30O 1f-1 0.001763 0.000774 0.001290 -0.000347 0.000343 -0.004509 30O 1f+2 0.001077 0.001734 -0.003616 -0.002638 -0.002576 0.000298 30O 1f-2 -0.002129 0.000581 -0.008472 0.000277 -0.001453 0.003465 30O 1f+3 0.002815 0.002297 0.001094 0.000018 -0.002332 0.002546 30O 1f-3 -0.001659 0.001679 -0.004970 0.002343 -0.002343 0.001795 31O 1s 0.002046 -0.004954 0.001245 -0.002283 -0.007268 -0.002053 31O 2s 0.006812 -0.008866 0.002952 -0.005892 -0.016376 -0.002965 31O 3s -0.045412 -0.064877 -0.016403 -0.003967 -0.017565 -0.054822 31O 4s 0.246178 0.687293 -0.155300 0.145054 0.450394 0.402994 31O 5s -1.359753 -0.203598 3.380510 0.937857 -0.254894 0.571120 31O 1pz 0.001318 0.046944 -0.007528 -0.010869 -0.006425 0.033484 31O 1px 0.008790 -0.018961 -0.024945 -0.009070 -0.042097 0.001452 31O 1py -0.028686 -0.062558 0.006930 -0.007479 0.045731 0.008884 31O 2pz -0.059499 0.187864 0.191569 0.096348 0.029424 0.221795 31O 2px -0.004262 -0.162438 -0.188944 -0.060666 -0.131163 -0.119527 31O 2py 0.005002 -0.224821 -0.216893 -0.189044 0.000742 -0.117333 31O 3pz 0.095056 -0.043270 -0.034779 0.567411 0.737563 0.021341 31O 3px 0.220168 0.295899 -1.238494 -0.474640 -0.259101 -0.546987 31O 3py -0.086729 0.002207 0.026885 -0.278067 -0.647576 -0.736350 31O 1dz2 0.000171 -0.001451 0.002319 -0.001344 -0.000940 -0.000903 31O 1dxz -0.000019 0.001258 0.000332 0.002370 0.004071 0.004381 31O 1dyz -0.008310 0.002995 0.008702 0.002605 0.000065 0.000063 31O 1dx2y2 -0.006451 0.003245 0.004552 0.003795 -0.002660 -0.001068 31O 1dxy -0.004823 -0.003097 -0.002645 -0.004386 -0.001549 -0.004028 31O 2dz2 0.016039 -0.003171 0.003733 0.062773 0.016920 -0.079868 31O 2dxz -0.003514 -0.011325 -0.087787 -0.046928 -0.047575 -0.091800 31O 2dyz -0.055183 -0.010056 0.006592 0.058290 -0.018705 0.038037 31O 2dx2y2 -0.009483 0.011830 0.024818 0.030878 0.006669 -0.014209 31O 2dxy -0.038108 -0.000690 0.104005 0.107604 0.093761 0.087734 31O 1f0 -0.001619 0.001918 -0.003449 -0.004815 -0.003475 -0.003318 31O 1f+1 -0.000399 -0.001260 -0.000719 0.000643 0.001268 -0.003089 31O 1f-1 0.001805 -0.000638 -0.001372 -0.000222 0.000036 -0.004526 31O 1f+2 0.001160 -0.001581 0.003324 -0.002922 0.002441 0.000410 31O 1f-2 -0.002066 -0.000660 0.008426 -0.000274 0.001129 0.003422 31O 1f+3 0.002888 -0.002182 -0.001037 -0.000084 0.002177 0.002821 31O 1f-3 -0.001566 -0.001572 0.005053 0.001943 0.002252 0.001918 32O 1s -0.000011 -0.001394 0.000145 0.003331 -0.002960 -0.000453 32O 2s -0.000393 -0.004300 0.000009 0.006878 -0.004610 -0.000556 32O 3s 0.007409 0.021330 0.007770 0.017147 -0.042257 -0.011346 32O 4s -0.048253 -0.115385 -0.042112 -0.314523 0.507671 0.087283 32O 5s 0.161256 0.550016 0.062152 1.022617 -1.826849 -0.230013 32O 1pz 0.008447 -0.022937 -0.008075 0.012003 -0.000584 -0.005071 32O 1px -0.003504 0.052835 -0.006317 -0.027332 0.001544 0.004772 32O 1py 0.020638 -0.004391 0.001027 0.027390 -0.010898 -0.005281 32O 2pz -0.007719 -0.015479 -0.085345 0.025625 -0.035809 0.046562 32O 2px -0.012985 0.017582 -0.030410 -0.039409 0.063360 0.019126 32O 2py -0.002404 0.038799 -0.006947 -0.044221 0.026013 0.013852 32O 3pz 0.107491 -0.051050 0.382317 0.066286 -0.021932 -0.430071 32O 3px -0.057964 0.255310 0.106684 -0.317851 0.160593 -0.089115 32O 3py 0.121529 -0.084701 0.020043 0.801359 -0.987331 -0.120097 32O 1dz2 -0.000135 0.001105 -0.003124 0.003515 -0.004984 0.002877 32O 1dxz 0.001496 0.003308 0.003732 0.000180 -0.002665 -0.006042 32O 1dyz -0.001386 0.001254 0.000186 -0.003483 0.003880 -0.002358 32O 1dx2y2 0.000444 -0.005153 0.001510 0.002566 0.001192 -0.002662 32O 1dxy 0.001041 -0.002761 0.000267 0.006342 -0.006660 -0.001985 32O 2dz2 0.051060 -0.048309 -0.069622 0.219092 -0.256608 0.073614 32O 2dxz 0.033286 0.004218 0.101149 0.056745 -0.109424 -0.170714 32O 2dyz 0.013795 0.024107 0.037844 -0.095110 0.111964 -0.112916 32O 2dx2y2 0.031428 0.008463 0.041285 0.124289 -0.054005 -0.093386 32O 2dxy 0.012652 -0.026232 0.011672 0.091216 -0.131867 -0.063820 32O 1f0 -0.000885 0.003451 -0.001535 -0.002898 -0.000399 0.000264 32O 1f+1 0.000757 -0.002311 -0.000556 0.002132 -0.000155 -0.000116 32O 1f-1 -0.000540 0.002402 -0.003449 -0.000330 -0.001326 0.000914 32O 1f+2 0.000022 -0.002974 0.002059 0.002634 0.000233 -0.002248 32O 1f-2 0.001728 0.001710 0.003377 0.000210 -0.001861 0.000402 32O 1f+3 -0.000356 -0.003914 -0.000780 0.003022 -0.000739 -0.000315 32O 1f-3 0.000423 -0.001892 -0.001657 0.002023 -0.001698 -0.000641 33O 1s 0.002403 -0.004303 -0.007010 0.001023 0.004800 -0.007463 33O 2s 0.001770 -0.007930 -0.016190 0.003174 0.011011 -0.018768 33O 3s 0.076689 -0.050129 0.012304 -0.012595 0.004732 0.013190 33O 4s -0.654130 0.586574 0.474921 0.002257 -0.382840 0.306455 33O 5s 2.859704 -0.386042 -3.946957 -0.402462 1.099114 0.552765 33O 1pz 0.007135 0.069777 -0.028353 0.017354 -0.016394 -0.032926 33O 1px -0.010296 -0.023775 -0.000473 -0.015367 0.020601 0.027586 33O 1py -0.011883 0.039762 -0.008724 -0.021543 0.018225 -0.032656 33O 2pz 0.166315 0.233954 -0.311161 -0.013638 0.021931 0.135812 33O 2px -0.020085 -0.154528 0.192903 0.012393 0.039405 -0.053449 33O 2py 0.068125 0.079161 -0.123515 -0.095502 0.016139 -0.007230 33O 3pz -0.492536 -0.293463 0.686871 -0.458996 -0.489725 0.574620 33O 3px -0.447383 0.407186 0.769383 0.304991 -0.328169 -0.719066 33O 3py -0.508004 0.091285 0.947763 0.358850 0.035936 0.490268 33O 1dz2 -0.008506 -0.002769 0.009202 -0.000449 -0.001648 -0.002614 33O 1dxz 0.001048 0.002001 -0.001891 -0.000475 -0.001573 0.002577 33O 1dyz -0.009967 -0.002184 0.008848 -0.000286 -0.006875 -0.001483 33O 1dx2y2 0.003703 0.001494 -0.003359 0.000571 0.001405 0.000816 33O 1dxy -0.001312 0.003013 0.000711 0.000036 0.003283 0.001777 33O 2dz2 -0.063621 -0.018236 0.002798 -0.006688 -0.029094 -0.093315 33O 2dxz -0.010453 0.010056 0.053691 -0.040068 -0.042595 -0.064111 33O 2dyz -0.069961 0.010765 0.023830 0.070536 0.014418 -0.071045 33O 2dx2y2 0.012905 -0.010147 -0.058755 -0.051771 -0.013740 -0.007775 33O 2dxy -0.032315 0.015583 0.017190 -0.026412 0.019616 -0.038559 33O 1f0 0.002143 0.002310 0.002902 0.000339 -0.000158 0.000768 33O 1f+1 -0.002060 -0.000441 0.005577 -0.003195 -0.003345 -0.003463 33O 1f-1 0.000338 -0.001163 0.002333 -0.003905 -0.002399 0.002811 33O 1f+2 0.000466 -0.003203 -0.008089 0.002157 0.003665 0.001982 33O 1f-2 -0.002827 -0.000734 0.004236 0.003099 -0.000911 0.002219 33O 1f+3 -0.000539 -0.003013 -0.001629 0.000378 0.001456 0.001923 33O 1f-3 -0.001069 -0.001217 0.001971 0.000330 -0.000608 0.000819 34O 1s -0.002731 -0.000611 0.007213 -0.003301 0.006572 -0.004282 34O 2s -0.006997 0.000303 0.016170 -0.008035 0.014677 -0.011090 34O 3s 0.023230 -0.042565 0.001376 -0.004837 0.017321 0.011966 34O 4s -0.091071 0.322914 -0.570353 0.230620 -0.495938 0.136475 34O 5s -0.370014 0.326647 3.849258 0.544397 0.712157 0.683211 34O 1pz -0.031984 0.028928 0.009320 0.001039 0.007601 0.010341 34O 1px -0.051576 0.046575 0.008100 -0.019841 -0.021177 -0.022816 34O 1py 0.025928 -0.053013 -0.004507 -0.005508 -0.028168 0.040802 34O 2pz -0.090934 0.063814 0.055987 0.018306 0.029464 0.084087 34O 2px -0.166645 0.209795 0.249704 0.118016 -0.089190 0.093439 34O 2py 0.081727 -0.159446 -0.157359 -0.115884 -0.020389 0.006547 34O 3pz 0.243176 0.036055 -0.586854 0.161234 -0.393410 -0.327863 34O 3px -0.018681 -0.418898 0.425416 0.854902 -0.356980 0.567724 34O 3py -0.201919 0.104529 1.112489 -0.070920 0.341773 -0.541262 34O 1dz2 -0.001611 0.000887 0.003406 0.000891 -0.000830 0.001831 34O 1dxz -0.001300 -0.003941 -0.006379 -0.000221 0.000260 -0.002468 34O 1dyz 0.004621 0.000739 0.007019 -0.001774 0.002009 0.000423 34O 1dx2y2 0.005671 0.000929 0.002257 -0.002574 0.004160 0.000037 34O 1dxy 0.005515 0.005899 0.006386 0.000182 0.003383 0.003131 34O 2dz2 -0.001783 0.014085 -0.006559 0.040259 -0.014432 -0.061715 34O 2dxz 0.023875 -0.000958 -0.013883 -0.029589 -0.010695 -0.045865 34O 2dyz -0.008785 -0.014773 0.022112 0.035387 -0.023005 0.112819 34O 2dx2y2 0.036609 -0.024602 0.062727 0.064012 -0.032697 -0.010967 34O 2dxy 0.020683 0.003425 -0.010488 0.058405 0.018102 0.002299 34O 1f0 0.000749 -0.001882 0.002673 -0.000510 0.000836 -0.003493 34O 1f+1 -0.004607 0.001821 -0.005484 -0.000516 0.000476 -0.001513 34O 1f-1 0.001848 0.000412 0.001890 0.000186 0.000798 -0.000702 34O 1f+2 0.001728 0.004489 0.001709 -0.003472 0.002067 0.001523 34O 1f-2 0.002876 0.001473 0.001533 -0.003638 0.001314 -0.001769 34O 1f+3 -0.003585 0.003034 -0.005700 0.003658 -0.001387 -0.003982 34O 1f-3 0.001431 0.002639 0.005541 0.001272 0.000924 -0.000047 35O 1s 0.006273 -0.002399 -0.000046 -0.000172 -0.004970 -0.002690 35O 2s 0.013720 -0.003588 -0.000592 0.000160 -0.011608 -0.004540 35O 3s 0.003708 -0.047237 0.025355 -0.002145 -0.002968 -0.060072 35O 4s -0.229075 0.454320 0.048401 0.014159 0.222086 0.458929 35O 5s 1.586179 -0.128971 -3.388000 -0.743842 0.303559 0.929083 35O 1pz 0.044844 0.043087 0.025159 0.010525 -0.030969 0.010306 35O 1px 0.052487 0.034092 -0.025354 -0.002712 0.023693 0.015509 35O 1py 0.044258 0.038886 -0.004303 -0.021124 -0.034056 -0.013029 35O 2pz 0.189031 0.120266 -0.107843 -0.038714 -0.037731 0.131757 35O 2px 0.177200 0.165397 -0.320447 -0.055289 0.113586 0.282005 35O 2py 0.176409 0.137161 -0.190326 -0.128199 0.019309 0.120584 35O 3pz -0.733195 0.172527 0.702130 -0.203726 0.220791 0.159166 35O 3px 0.311814 -0.307711 -0.967207 -0.543362 0.552426 0.877566 35O 3py -0.352767 -0.109199 -0.125267 0.186600 -0.074089 0.792506 35O 1dz2 0.006383 0.000700 0.000369 -0.002152 0.000595 0.004993 35O 1dxz 0.003031 -0.005551 0.004572 0.003201 -0.001701 -0.003612 35O 1dyz 0.005404 -0.001918 0.007121 -0.000303 -0.001586 0.002000 35O 1dx2y2 -0.005318 0.000814 -0.000754 0.000158 -0.004213 -0.002913 35O 1dxy -0.000454 -0.002069 0.008324 0.002629 0.001422 -0.003814 35O 2dz2 -0.002798 0.021378 0.101209 0.007376 -0.006862 -0.161676 35O 2dxz -0.014824 -0.005020 -0.035017 -0.053774 0.032827 0.002433 35O 2dyz -0.016074 0.002641 0.042345 0.083342 -0.041012 -0.061891 35O 2dx2y2 -0.027256 -0.011923 -0.058147 -0.039343 0.026963 0.050628 35O 2dxy -0.019783 -0.007242 -0.048939 -0.011586 0.055026 0.064928 35O 1f0 0.001378 -0.002425 0.001627 -0.001891 0.001703 -0.001238 35O 1f+1 0.006115 0.002073 0.004544 0.001356 -0.002416 -0.003823 35O 1f-1 0.003729 -0.000447 0.004208 -0.001675 -0.001284 0.003333 35O 1f+2 -0.003834 0.003116 -0.001532 0.002331 -0.001953 0.000002 35O 1f-2 0.001807 0.001362 -0.001404 -0.000784 -0.000635 0.003158 35O 1f+3 0.002416 0.003768 0.002711 -0.003307 -0.002038 -0.004356 35O 1f-3 0.003600 0.002233 0.007697 0.002380 -0.001251 -0.006044 300 301 302 303 304 305 1.35103 1.38685 1.38905 1.41042 1.42429 1.42934 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s -0.000257 -0.000251 0.000350 0.000630 0.000899 0.000091 0Rh 2s 0.001519 0.000671 -0.001071 -0.001189 -0.005070 -0.000218 0Rh 3s -0.000572 -0.001060 0.001392 0.002959 0.002154 0.000397 0Rh 4s -0.007312 -0.003056 0.004944 0.005231 0.024404 0.000992 0Rh 5s 0.011057 -0.000124 -0.001580 0.006080 -0.034916 0.000301 0Rh 6s -0.002414 0.020342 -0.024803 -0.060153 -0.005196 -0.007652 0Rh 7s -0.003209 -0.179278 0.058781 0.670715 0.265503 0.016602 0Rh 8s 0.007585 -0.104996 -0.044903 0.916228 -0.112398 -0.007143 0Rh 1pz 0.005796 0.013104 -0.028003 0.010316 -0.007814 -0.004267 0Rh 1px 0.003284 0.015223 -0.000565 -0.030684 -0.007820 -0.000450 0Rh 1py 0.001072 -0.025174 -0.015532 -0.011172 0.013729 -0.002416 0Rh 2pz -0.019653 -0.043766 0.093731 -0.034629 0.025733 0.014660 0Rh 2px -0.011010 -0.051076 0.001776 0.103635 0.026007 0.001599 0Rh 2py -0.003575 0.084237 0.051938 0.037618 -0.045694 0.008099 0Rh 3pz 0.003509 -0.005059 0.006304 0.000005 0.010315 -0.007527 0Rh 3px -0.000272 -0.000363 0.003075 -0.014352 0.004910 -0.002132 0Rh 3py -0.000505 0.006445 0.004725 -0.003953 -0.008478 0.000688 0Rh 4pz 0.105414 0.273221 -0.566038 0.198175 -0.186654 -0.050144 0Rh 4px 0.065023 0.293824 -0.025232 -0.530246 -0.165567 0.001217 0Rh 4py 0.022975 -0.513633 -0.319395 -0.189004 0.294732 -0.051134 0Rh 5pz -0.218535 -0.423959 0.873947 -0.303325 0.286290 0.061093 0Rh 5px -0.111218 -0.446317 0.049001 0.775244 0.234417 -0.010002 0Rh 5py -0.041185 0.799593 0.496263 0.237448 -0.444715 0.080880 0Rh 6pz 2.285704 -0.144590 -0.023429 0.801135 0.541024 -0.019558 0Rh 6px 0.674587 0.337673 0.222710 -1.846293 0.420342 0.098297 0Rh 6py 0.279299 0.060442 0.063913 0.667684 -0.909705 0.080205 0Rh 1dz2 -0.025643 0.008564 -0.020944 0.005156 -0.004059 0.032481 0Rh 1dxz 0.022736 -0.013263 0.027651 -0.001838 0.004043 -0.018561 0Rh 1dyz -0.036152 -0.013099 -0.006123 -0.000625 0.016518 0.045260 0Rh 1dx2y2 -0.003648 -0.015982 0.002866 -0.005588 0.015862 0.000640 0Rh 1dxy -0.012409 0.028119 0.018580 -0.003282 -0.000368 0.021829 0Rh 2dz2 0.003160 -0.001420 0.003387 -0.001181 0.000696 -0.005245 0Rh 2dxz -0.001324 0.002380 -0.004319 -0.000354 -0.001607 0.001788 0Rh 2dyz 0.007580 0.002094 0.000827 0.000122 -0.005665 -0.008980 0Rh 2dx2y2 0.001625 0.002298 -0.000722 0.002491 -0.003723 -0.000589 0Rh 2dxy 0.002920 -0.004709 -0.003249 0.000297 0.001461 -0.003928 0Rh 3dz2 0.043556 -0.013238 0.032807 -0.006598 0.006255 -0.051176 0Rh 3dxz -0.045180 0.019800 -0.044092 0.005745 -0.002277 0.034652 0Rh 3dyz 0.047845 0.020676 0.010290 0.000856 -0.013088 -0.063893 0Rh 3dx2y2 0.001141 0.026245 -0.003382 0.001943 -0.019944 0.001121 0Rh 3dxy 0.015037 -0.043473 -0.028163 0.006230 -0.005358 -0.032699 0Rh 4dz2 0.073649 -0.026808 0.063702 -0.020197 0.012946 -0.102733 0Rh 4dxz -0.041282 0.043503 -0.081819 -0.002967 -0.027075 0.039329 0Rh 4dyz 0.150371 0.038958 0.016419 0.003546 -0.094869 -0.169588 0Rh 4dx2y2 0.027012 0.044904 -0.011645 0.038235 -0.066936 -0.009661 0Rh 4dxy 0.056339 -0.086996 -0.059335 0.004348 0.020182 -0.074019 0Rh 5dz2 -0.299697 0.078728 -0.171266 0.033744 -0.027816 0.348134 0Rh 5dxz 0.105123 -0.119663 0.226853 -0.018812 0.102925 -0.087942 0Rh 5dyz -0.692263 -0.100063 -0.049387 -0.041728 0.365297 0.642062 0Rh 5dx2y2 -0.125368 -0.124707 0.019275 -0.083953 0.234684 0.051936 0Rh 5dxy -0.267764 0.229924 0.156790 0.045539 -0.054712 0.252471 0Rh 1f0 0.017316 0.022111 0.010828 -0.064416 0.013771 0.020642 0Rh 1f+1 0.001997 -0.008980 0.015052 0.012125 0.000448 0.005592 0Rh 1f-1 -0.041489 0.014479 0.034351 -0.053039 -0.012508 -0.008800 0Rh 1f+2 0.034326 0.017872 -0.035820 0.012387 0.031228 0.021884 0Rh 1f-2 -0.005163 0.030815 0.010323 -0.023712 0.037154 -0.009195 0Rh 1f+3 -0.019967 -0.033705 -0.000615 0.048964 -0.029129 -0.010265 0Rh 1f-3 0.006566 0.014004 0.006212 0.029497 0.015649 0.011419 1Rh 1s -0.000260 0.000250 -0.000335 -0.000641 0.000937 -0.000121 1Rh 2s 0.001526 -0.000668 0.000998 0.001266 -0.005216 0.000339 1Rh 3s -0.000588 0.001057 -0.001350 -0.002978 0.002285 -0.000501 1Rh 4s -0.007340 0.003042 -0.004595 -0.005602 0.025095 -0.001560 1Rh 5s 0.011028 0.000124 0.001140 -0.005454 -0.035486 0.000213 1Rh 6s -0.002120 -0.020233 0.024492 0.059773 -0.007262 0.009105 1Rh 7s -0.008896 0.181688 -0.058392 -0.670027 0.262607 -0.031158 1Rh 8s 0.010841 0.103009 0.046126 -0.913890 -0.142827 0.010360 1Rh 1pz -0.006088 0.013155 -0.027940 0.009824 0.007790 -0.004980 1Rh 1px -0.003550 0.015251 -0.000512 -0.030910 0.006849 -0.000716 1Rh 1py -0.001783 -0.025246 -0.015450 -0.010934 -0.014150 -0.002232 1Rh 2pz 0.020635 -0.043941 0.093515 -0.032980 -0.025645 0.017015 1Rh 2px 0.011903 -0.051174 0.001598 0.104384 -0.022741 0.002499 1Rh 2py 0.005965 0.084480 0.051669 0.036822 0.047113 0.007473 1Rh 3pz -0.003504 -0.004999 0.006409 0.000092 -0.010519 -0.006753 1Rh 3px 0.000211 -0.000236 0.003048 -0.014131 -0.005039 -0.002281 1Rh 3py 0.000474 0.006433 0.004603 -0.004027 0.008387 0.000803 1Rh 4pz -0.111380 0.274055 -0.565171 0.188326 0.187189 -0.066560 1Rh 4px -0.069719 0.293893 -0.024075 -0.535465 0.147418 -0.003322 1Rh 4py -0.037010 -0.515017 -0.317381 -0.184232 -0.302439 -0.047893 1Rh 5pz 0.229471 -0.425577 0.872369 -0.287969 -0.288633 0.085677 1Rh 5px 0.117618 -0.446174 0.046929 0.783658 -0.205915 -0.003663 1Rh 5py 0.065601 0.801903 0.492927 0.230711 0.456354 0.075695 1Rh 6pz -2.334268 -0.134797 -0.006020 0.800435 -0.487547 0.037317 1Rh 6px -0.680284 0.336776 0.231641 -1.850055 -0.521750 0.120824 1Rh 6py -0.376666 0.056591 0.073510 0.645400 0.892839 0.083976 1Rh 1dz2 -0.025864 -0.008448 0.021188 -0.005536 -0.004951 -0.032121 1Rh 1dxz 0.023041 0.013056 -0.027776 0.002000 0.004465 0.017864 1Rh 1dyz -0.036684 0.013275 0.006250 -0.000181 0.015314 -0.045444 1Rh 1dx2y2 -0.003629 0.016018 -0.002939 0.005472 0.015866 -0.000635 1Rh 1dxy -0.011959 -0.027897 -0.018532 0.003129 -0.000522 -0.022234 1Rh 2dz2 0.003219 0.001418 -0.003419 0.001205 0.000847 0.005167 1Rh 2dxz -0.001334 -0.002359 0.004311 0.000422 -0.001632 -0.001595 1Rh 2dyz 0.007651 -0.002116 -0.000821 0.000056 -0.005398 0.009086 1Rh 2dx2y2 0.001609 -0.002317 0.000729 -0.002423 -0.003723 0.000654 1Rh 2dxy 0.002826 0.004696 0.003226 -0.000279 0.001535 0.003992 1Rh 3dz2 0.043800 0.012987 -0.033219 0.007350 0.007633 0.050695 1Rh 3dxz -0.045822 -0.019427 0.044408 -0.006403 -0.003123 -0.033899 1Rh 3dyz 0.048728 -0.020975 -0.010598 0.000197 -0.011510 0.063859 1Rh 3dx2y2 0.001172 -0.026244 0.003513 -0.001967 -0.019961 -0.001408 1Rh 3dxy 0.014429 0.043029 0.028154 -0.005964 -0.005336 0.033343 1Rh 4dz2 0.074659 0.026635 -0.064418 0.020953 0.015768 0.101271 1Rh 4dxz -0.041733 -0.042986 0.081847 0.003744 -0.027882 -0.035974 1Rh 4dyz 0.151919 -0.039505 -0.016576 -0.000175 -0.090010 0.171239 1Rh 4dx2y2 0.026709 -0.045225 0.011846 -0.037205 -0.066737 0.010522 1Rh 4dxy 0.054567 0.086574 0.058951 -0.003926 0.021495 0.075328 1Rh 5dz2 -0.302900 -0.077854 0.174032 -0.037068 -0.034889 -0.343204 1Rh 5dxz 0.106578 0.117754 -0.226815 0.015868 0.107563 0.076409 1Rh 5dyz -0.697317 0.102957 0.051431 0.027751 0.347931 -0.648663 1Rh 5dx2y2 -0.123959 0.126328 -0.020159 0.079976 0.228955 -0.055040 1Rh 5dxy -0.260827 -0.228112 -0.154888 -0.047891 -0.062455 -0.257528 1Rh 1f0 -0.015981 0.022435 0.011033 -0.064513 -0.013999 0.020292 1Rh 1f+1 -0.001095 -0.008879 0.015215 0.011648 0.000247 0.004871 1Rh 1f-1 0.045674 0.014216 0.033780 -0.052526 0.010919 -0.011173 1Rh 1f+2 -0.034257 0.018139 -0.035428 0.012500 -0.029788 0.023641 1Rh 1f-2 0.007800 0.030938 0.010530 -0.022933 -0.037559 -0.008943 1Rh 1f+3 0.020002 -0.033961 -0.000782 0.048545 0.029475 -0.011342 1Rh 1f-3 -0.006164 0.013903 0.006221 0.029559 -0.014607 0.011857 2C 1s 0.002538 -0.000782 0.024972 0.013024 -0.007803 0.014144 2C 2s 0.005123 -0.002690 0.083847 0.043573 -0.024904 0.046050 2C 3s 0.023068 -0.000836 -1.134605 -0.403258 0.287841 -0.422935 2C 4s -0.332239 0.106891 3.934612 1.013855 -0.951823 1.013008 2C 5s -2.542806 -0.161258 -2.786019 -0.285558 0.100779 -0.673476 2C 1pz -0.077437 -0.024557 -0.002015 -0.021971 -0.018528 -0.107129 2C 1px 0.038858 -0.028746 -0.070353 0.011522 0.026251 0.084638 2C 1py -0.004524 0.062517 -0.002449 -0.012136 0.009713 0.076306 2C 2pz 0.012612 0.119850 1.279976 0.176174 -0.145373 0.300875 2C 2px -0.128953 0.083646 0.228165 -0.102820 -0.024075 -0.126017 2C 2py -0.115226 -0.125080 0.902247 0.126102 -0.207507 -0.154602 2C 3pz -0.619493 -0.069737 0.144327 0.271520 -0.151213 0.024656 2C 3px -0.290004 -0.096361 -0.583069 0.094763 0.173723 0.050401 2C 3py -0.410330 0.092378 0.159191 0.044206 -0.129374 0.252081 2C 1dz2 0.008079 0.003426 -0.004169 -0.005058 -0.000074 0.007431 2C 1dxz -0.000602 0.000461 0.000866 -0.002484 0.000571 -0.019268 2C 1dyz 0.006955 -0.002013 -0.004729 -0.007104 0.003212 -0.005321 2C 1dx2y2 -0.005731 0.002289 0.005155 0.004276 -0.004078 -0.000959 2C 1dxy -0.003722 0.002607 0.002245 -0.000533 0.001197 -0.010266 2C 2dz2 -0.077614 -0.065609 0.425969 0.099240 -0.070842 -0.100666 2C 2dxz 0.172705 -0.120955 0.300018 0.201950 -0.071739 0.225470 2C 2dyz -0.076707 0.068530 0.527400 0.002182 -0.046978 0.005294 2C 2dx2y2 -0.127056 -0.077425 -0.362202 -0.071927 0.047678 -0.216061 2C 2dxy 0.135763 0.064738 0.031871 0.030481 0.070134 0.243198 2C 1f0 -0.014617 -0.000172 0.006217 -0.007681 -0.007656 -0.018278 2C 1f+1 0.003841 0.007964 -0.002403 -0.016751 0.008434 0.000668 2C 1f-1 0.005985 0.004853 0.049492 -0.011874 -0.005855 -0.007714 2C 1f+2 0.009619 -0.002396 -0.018089 0.005576 0.003205 0.010399 2C 1f-2 0.004656 -0.000476 0.033228 -0.000255 -0.010479 0.008442 2C 1f+3 0.003940 -0.005330 -0.001083 -0.007995 0.003165 -0.010800 2C 1f-3 -0.006729 -0.000322 -0.015903 -0.004428 0.009327 -0.016877 3C 1s 0.002100 -0.024428 0.000253 -0.016281 -0.002787 0.018674 3C 2s 0.010031 -0.081980 0.000856 -0.053485 -0.010479 0.059096 3C 3s -0.187219 1.113784 -0.035319 0.560903 0.046746 -0.556950 3C 4s 0.846018 -3.873778 0.196183 -1.609261 0.163490 1.294632 3C 5s 1.936163 2.617631 -0.309338 2.078198 -0.074331 -1.473391 3C 1pz 0.017408 -0.032155 0.056749 -0.028605 0.063477 0.092625 3C 1px 0.038298 0.031267 0.030834 0.043859 -0.263009 -0.112164 3C 1py -0.063077 -0.028429 0.037377 0.043192 -0.099341 -0.050139 3C 2pz 0.135890 -0.835912 -0.103791 -0.070805 0.005913 -0.240713 3C 2px 0.080044 -0.441800 -0.039210 -0.201522 0.503713 0.162955 3C 2py -0.108197 1.276348 -0.163014 0.094003 0.140765 0.191870 3C 3pz 0.313899 -0.483898 0.105464 -0.355618 0.148468 0.072718 3C 3px 0.425805 0.279717 0.017914 0.177929 -0.423297 -0.135683 3C 3py -0.621967 -0.029730 0.098472 -0.043494 -0.060395 -0.208236 3C 1dz2 0.000445 0.003080 -0.004253 -0.002976 -0.011663 -0.008552 3C 1dxz -0.003346 0.002686 -0.001815 0.005031 0.008184 -0.000760 3C 1dyz 0.007880 -0.004683 0.000591 -0.003941 0.007852 0.011444 3C 1dx2y2 0.004744 -0.003289 -0.001736 -0.012911 0.016634 0.013518 3C 1dxy 0.009113 -0.000859 0.003298 -0.006042 -0.032680 -0.010152 3C 2dz2 -0.005648 0.006917 0.020575 -0.055170 0.168212 0.065025 3C 2dxz 0.014399 -0.340512 0.114653 0.040151 -0.454524 -0.230106 3C 2dyz 0.000011 0.388944 -0.099450 0.157093 -0.212782 -0.122247 3C 2dx2y2 -0.022303 0.520904 0.102925 0.123225 -0.204792 -0.032119 3C 2dxy -0.114659 0.384528 0.002068 0.036985 0.271269 0.192361 3C 1f0 -0.000157 0.032859 0.004742 -0.011472 -0.013261 0.019018 3C 1f+1 0.002342 0.012470 -0.003007 -0.000622 0.021337 0.018296 3C 1f-1 0.010104 -0.008394 0.000684 -0.017906 0.005137 0.006406 3C 1f+2 -0.003583 0.045920 -0.002773 0.008406 -0.019559 -0.017604 3C 1f-2 -0.006784 0.025105 -0.002590 0.003944 -0.003387 -0.007888 3C 1f+3 -0.003956 -0.016246 0.008318 0.008889 -0.015327 -0.015105 3C 1f-3 0.004969 -0.006252 -0.000097 -0.004439 -0.028723 -0.004328 4C 1s -0.007450 -0.002903 -0.000671 0.021391 -0.001910 0.021501 4C 2s -0.022976 -0.009235 -0.001099 0.068104 -0.006640 0.067703 4C 3s 0.164603 0.115096 -0.074459 -0.922445 0.216426 -0.840049 4C 4s -0.587063 -0.355012 -0.234583 2.781710 -0.792025 2.302850 4C 5s 0.102685 0.193425 1.101218 1.164787 -1.044270 0.641487 4C 1pz -0.050847 0.029837 0.059329 -0.082932 -0.035027 -0.073026 4C 1px 0.027090 0.008775 -0.001037 -0.069572 -0.045027 0.170624 4C 1py -0.017388 -0.031794 0.046433 0.170602 0.022883 0.022081 4C 2pz -0.217414 -0.025663 1.679912 0.825394 -0.478948 0.751722 4C 2px 0.512734 0.031793 0.391114 0.094574 0.301999 -0.414848 4C 2py 0.056824 0.007142 1.119416 0.247323 -0.241979 0.294283 4C 3pz -2.821931 0.056230 -0.629479 1.016944 -0.886026 0.807366 4C 3px 0.066998 0.167503 0.262118 -0.207138 -0.216730 -0.195680 4C 3py -1.716331 -0.146363 -0.426450 1.064317 -0.555007 0.244852 4C 1dz2 0.004807 -0.011760 0.002965 -0.002351 -0.001066 -0.003396 4C 1dxz 0.009342 -0.004519 0.001569 -0.008488 0.002391 -0.014655 4C 1dyz 0.015000 0.007149 0.009916 0.001029 -0.004574 0.008188 4C 1dx2y2 -0.001381 -0.010928 0.007141 0.019643 -0.002347 0.008698 4C 1dxy -0.004803 -0.001033 0.007035 0.008275 -0.005076 0.000358 4C 2dz2 -0.180223 -0.112849 -0.862231 -0.172495 0.143207 -0.411609 4C 2dxz 0.371573 -0.057762 -0.871264 -0.314384 0.457472 0.057439 4C 2dyz 0.141600 0.029993 -0.669135 -0.043894 0.078855 0.015250 4C 2dx2y2 0.096990 -0.054897 1.173141 0.555581 -0.389939 0.422066 4C 2dxy 0.197364 -0.029812 0.248471 0.211992 -0.124119 0.409627 4C 1f0 0.002776 0.007732 -0.004137 -0.034018 0.006746 -0.014878 4C 1f+1 -0.002220 0.006696 -0.023105 -0.047568 0.018637 -0.041934 4C 1f-1 -0.008444 0.001162 0.055174 0.011257 -0.007876 0.017154 4C 1f+2 -0.009033 -0.002429 -0.003619 0.043779 -0.019936 0.030885 4C 1f-2 0.000342 -0.000125 0.016798 0.011698 0.002961 -0.005275 4C 1f+3 -0.017131 -0.004031 0.009871 0.018100 -0.010725 0.008705 4C 1f-3 -0.013271 0.001996 -0.027004 -0.036324 0.010918 -0.032261 5C 1s 0.009545 0.001185 -0.000697 -0.023397 -0.011290 0.023960 5C 2s 0.029956 0.002769 -0.002318 -0.073336 -0.036257 0.074129 5C 3s -0.293636 0.054568 0.025731 0.955971 0.372700 -0.874943 5C 4s 0.920001 0.302162 -0.103898 -2.818840 -1.042851 2.547628 5C 5s 0.039197 -0.968573 0.234621 -1.717158 1.258771 0.558382 5C 1pz 0.024638 -0.062695 -0.029901 0.167549 0.061212 0.165876 5C 1px 0.030374 -0.020058 0.026434 0.032792 -0.363749 -0.134012 5C 1py -0.058923 0.037137 -0.018954 0.148271 -0.113725 0.084114 5C 2pz 0.044368 -0.942366 0.053089 -0.677484 -0.395301 -0.094997 5C 2px 0.438542 -0.630024 -0.025540 -0.502860 1.243080 0.584737 5C 2py -0.185550 1.701620 -0.079223 0.598843 0.392863 -0.473220 5C 3pz 1.548569 0.530528 -0.171283 0.411274 -0.146081 0.349509 5C 3px 1.146485 0.042593 -0.065275 -0.621270 1.433688 0.595919 5C 3py -2.658312 -0.530466 -0.055768 0.633931 -0.343975 -0.219214 5C 1dz2 -0.007923 0.008792 0.012506 0.013416 -0.004606 -0.009457 5C 1dxz 0.005945 0.003135 0.005227 0.011789 0.009683 -0.003945 5C 1dyz 0.009596 0.008765 -0.008104 0.005790 -0.001495 -0.003538 5C 1dx2y2 0.011678 0.000840 0.007696 -0.016813 -0.004942 0.018356 5C 1dxy 0.014395 0.006850 0.001724 -0.004740 -0.010532 -0.002221 5C 2dz2 -0.184499 0.365662 0.064250 0.239243 0.115551 -0.040387 5C 2dxz 0.138604 0.857860 0.022551 0.346181 -0.294823 -0.271758 5C 2dyz 0.175497 -0.347573 -0.005455 0.071882 -0.265611 -0.221171 5C 2dx2y2 0.317331 -1.361515 0.161942 -0.566560 -0.196103 0.018478 5C 2dxy 0.049064 -0.710294 -0.019759 -0.231518 0.583838 0.324331 5C 1f0 -0.007616 0.048034 -0.000264 0.029312 0.024711 -0.018297 5C 1f+1 -0.010895 0.022725 -0.001938 0.047868 -0.005637 -0.029036 5C 1f-1 0.003173 0.006483 0.003796 -0.000416 0.012986 0.004044 5C 1f+2 -0.009044 0.035684 -0.003638 0.016258 0.000497 -0.002480 5C 1f-2 -0.007292 0.007658 0.001415 -0.027781 -0.032477 0.015968 5C 1f+3 -0.013980 -0.005654 0.000620 0.047548 -0.006842 -0.026953 5C 1f-3 0.005358 -0.016753 -0.003980 -0.036987 -0.006932 0.039798 6C 1s 0.009213 -0.001216 0.000710 0.023502 -0.011401 -0.023775 6C 2s 0.028912 -0.002875 0.002339 0.073699 -0.036626 -0.073500 6C 3s -0.279816 -0.052791 -0.024463 -0.958800 0.377190 0.867362 6C 4s 0.875200 -0.311646 0.098855 2.826243 -1.055993 -2.526437 6C 5s -0.017772 0.964052 -0.249789 1.688219 1.262944 -0.596608 6C 1pz -0.030954 -0.062537 -0.030285 0.171700 -0.049665 0.169713 6C 1px -0.030910 -0.018743 0.025166 0.023979 0.358504 -0.143812 6C 1py 0.051907 0.037057 -0.020782 0.147967 0.118613 0.082612 6C 2pz -0.035898 -0.942473 0.053764 -0.684380 0.377830 -0.107108 6C 2px -0.432521 -0.624667 -0.015199 -0.481699 -1.230532 0.605962 6C 2py 0.185723 1.698952 -0.080146 0.599354 -0.400220 -0.462470 6C 3pz -1.557474 0.547929 -0.146480 0.387060 0.172979 0.343912 6C 3px -1.142860 0.045765 -0.045995 -0.606236 -1.414538 0.636494 6C 3py 2.613041 -0.561775 -0.092748 0.660471 0.337495 -0.227284 6C 1dz2 -0.007986 -0.008779 -0.012449 -0.013356 -0.004642 0.009798 6C 1dxz 0.006145 -0.003093 -0.005383 -0.011800 0.009553 0.003606 6C 1dyz 0.009658 -0.008812 0.008123 -0.005685 -0.001481 0.003443 6C 1dx2y2 0.011129 -0.000885 -0.007778 0.016926 -0.005205 -0.018204 6C 1dxy 0.014235 -0.006983 -0.001777 0.005172 -0.010389 0.002330 6C 2dz2 -0.184362 -0.362304 -0.060323 -0.244828 0.110533 0.034621 6C 2dxz 0.138651 -0.860097 -0.020063 -0.334038 -0.283934 0.278476 6C 2dyz 0.177412 0.344115 0.005833 -0.062588 -0.256178 0.232377 6C 2dx2y2 0.308525 1.353496 -0.169015 0.575349 -0.185360 -0.004596 6C 2dxy 0.050958 0.714262 0.017002 0.211978 0.564011 -0.347868 6C 1f0 0.007147 0.048047 -0.000306 0.029566 -0.024859 -0.017781 6C 1f+1 0.010030 0.022581 -0.002196 0.047595 0.005629 -0.028823 6C 1f-1 -0.002908 0.006521 0.003914 -0.000284 -0.012798 0.004327 6C 1f+2 0.009336 0.035661 -0.003774 0.016281 -0.000249 -0.002260 6C 1f-2 0.007917 0.007554 0.001298 -0.028187 0.032264 0.015243 6C 1f+3 0.013357 -0.005841 0.000384 0.047465 0.007067 -0.027006 6C 1f-3 -0.004656 -0.016699 -0.003893 -0.036690 0.007682 0.039714 7C 1s -0.007098 0.002907 0.000655 -0.021409 -0.003189 -0.021523 7C 2s -0.021782 0.009233 0.001040 -0.068129 -0.010683 -0.067721 7C 3s 0.144200 -0.113917 0.075055 0.917931 0.268214 0.837213 7C 4s -0.506947 0.349373 0.238184 -2.768038 -0.937302 -2.290121 7C 5s 0.165872 -0.183097 -1.091999 -1.157196 -1.106160 -0.632477 7C 1pz 0.050018 0.029070 0.057746 -0.078776 0.035701 -0.066186 7C 1px -0.025454 0.007884 -0.001314 -0.072621 0.046480 0.160263 7C 1py 0.010833 -0.031904 0.048356 0.165840 -0.024318 0.013403 7C 2pz 0.213793 -0.023985 1.676236 0.810900 0.520213 0.715569 7C 2px -0.523661 0.037481 0.394048 0.094656 -0.300827 -0.359039 7C 2py -0.058432 0.009896 1.123819 0.250491 0.273387 0.309491 7C 3pz 2.751656 0.032887 -0.675065 1.020275 0.928593 0.755213 7C 3px -0.078473 0.166051 0.263901 -0.199247 0.225719 -0.155850 7C 3py 1.650222 -0.160150 -0.440617 1.068996 0.580730 0.223679 7C 1dz2 0.004546 0.011828 -0.002927 0.002340 -0.000956 0.003266 7C 1dxz 0.009019 0.004461 -0.001588 0.008436 0.002938 0.014259 7C 1dyz 0.014587 -0.007171 -0.010039 -0.000652 -0.004884 -0.007958 7C 1dx2y2 -0.000627 0.010850 -0.007095 -0.019688 -0.003297 -0.008718 7C 1dxy -0.004566 0.001110 -0.007124 -0.008368 -0.005466 -0.000489 7C 2dz2 -0.179455 0.113377 0.859155 0.161196 0.156357 0.398664 7C 2dxz 0.369107 0.055990 0.864001 0.320318 0.479222 -0.056897 7C 2dyz 0.140593 -0.030103 0.670124 0.044673 0.081170 -0.017873 7C 2dx2y2 0.107042 0.053537 -1.175978 -0.545357 -0.421457 -0.409803 7C 2dxy 0.205496 0.030517 -0.249900 -0.199504 -0.134141 -0.400296 7C 1f0 -0.002070 0.007634 -0.004552 -0.033920 -0.008174 -0.014691 7C 1f+1 0.004016 0.006591 -0.023380 -0.046949 -0.021054 -0.041625 7C 1f-1 0.008956 0.001210 0.055233 0.011098 0.008841 0.016374 7C 1f+2 0.008101 -0.002421 -0.004054 0.043276 0.021850 0.029591 7C 1f-2 -0.000401 -0.000078 0.016687 0.011725 -0.002579 -0.004557 7C 1f+3 0.017236 -0.004168 0.009758 0.018324 0.011539 0.007858 7C 1f-3 0.014601 0.001763 -0.027027 -0.035865 -0.013241 -0.033078 8C 1s 0.002108 0.024397 -0.000334 0.016185 -0.002804 -0.018658 8C 2s 0.009995 0.081862 -0.001134 0.053231 -0.010564 -0.058976 8C 3s -0.185851 -1.111449 0.039034 -0.558031 0.046592 0.556917 8C 4s 0.836430 3.862910 -0.210674 1.600151 0.167243 -1.299919 8C 5s 1.960567 -2.638436 0.283687 -2.034097 -0.105588 1.487077 8C 1pz -0.014653 -0.031762 0.057006 -0.025851 -0.060478 0.093909 8C 1px -0.036693 0.033745 0.029836 0.037563 0.258185 -0.119719 8C 1py 0.062847 -0.028406 0.036615 0.042494 0.100430 -0.054675 8C 2pz -0.143818 -0.832932 -0.100609 -0.075441 -0.010817 -0.241489 8C 2px -0.082453 -0.441670 -0.035828 -0.190989 -0.499112 0.175814 8C 2py 0.106190 1.275668 -0.164477 0.094437 -0.143847 0.203295 8C 3pz -0.303606 -0.477946 0.109142 -0.353558 -0.149477 0.075268 8C 3px -0.421234 0.295280 0.019067 0.166633 0.422612 -0.146812 8C 3py 0.626340 -0.029894 0.089328 -0.034853 0.052390 -0.209405 8C 1dz2 0.000432 -0.003031 0.004381 0.003221 -0.011255 0.008912 8C 1dxz -0.003243 -0.002560 0.001799 -0.005234 0.008010 0.000499 8C 1dyz 0.007718 0.004607 -0.000742 0.003787 0.007373 -0.011669 8C 1dx2y2 0.004447 0.003378 0.001719 0.012416 0.016352 -0.014111 8C 1dxy 0.008823 0.000646 -0.003261 0.006930 -0.031855 0.011029 8C 2dz2 -0.007510 -0.006045 -0.021273 0.049979 0.162636 -0.068907 8C 2dxz 0.009765 0.338602 -0.115224 -0.028742 -0.447610 0.245414 8C 2dyz 0.004880 -0.390145 0.098020 -0.148824 -0.209835 0.129499 8C 2dx2y2 -0.028549 -0.521585 -0.099654 -0.117839 -0.198903 0.035659 8C 2dxy -0.115356 -0.382675 -0.001878 -0.045908 0.266286 -0.204317 8C 1f0 0.000852 0.032729 0.004549 -0.011636 0.012872 0.019129 8C 1f+1 -0.002361 0.012591 -0.003186 0.000448 -0.020673 0.018623 8C 1f-1 -0.009949 -0.008133 0.000820 -0.017894 -0.005574 0.006511 8C 1f+2 0.003598 0.045674 -0.002972 0.007792 0.019547 -0.018281 8C 1f-2 0.007010 0.025239 -0.002611 0.004161 0.003901 -0.008493 8C 1f+3 0.004049 -0.016059 0.008178 0.008609 0.014527 -0.015855 8C 1f-3 -0.004942 -0.006035 0.000006 -0.005050 0.028462 -0.005542 9C 1s 0.002396 0.000704 -0.025058 -0.012924 -0.008821 -0.014129 9C 2s 0.004821 0.002454 -0.084113 -0.043265 -0.028225 -0.045951 9C 3s 0.026866 0.002268 1.136127 0.401837 0.320289 0.420698 9C 4s -0.340790 -0.106111 -3.933248 -1.014342 -1.036146 -1.001473 9C 5s -2.494160 0.174016 2.823704 0.290049 0.164946 0.724162 9C 1pz 0.074877 -0.025853 -0.001971 -0.016647 0.017715 -0.100645 9C 1px -0.038972 -0.029278 -0.070145 0.009792 -0.025779 0.079195 9C 1py 0.005463 0.062833 -0.004202 -0.015363 -0.010459 0.069571 9C 2pz -0.007692 0.122467 1.279656 0.163717 0.158360 0.279037 9C 2px 0.128579 0.084707 0.224305 -0.100732 0.017058 -0.117463 9C 2py 0.113277 -0.127067 0.901345 0.131539 0.213252 -0.144744 9C 3pz 0.598027 -0.074000 0.148728 0.278227 0.161480 0.022293 9C 3px 0.280813 -0.098756 -0.590404 0.095437 -0.181141 0.042183 9C 3py 0.416722 0.089265 0.136819 0.039443 0.134444 0.236625 9C 1dz2 0.007580 -0.003439 0.004231 0.005509 0.000323 -0.006716 9C 1dxz -0.000684 -0.000501 -0.000811 0.002154 0.000783 0.018288 9C 1dyz 0.006671 0.001951 0.004613 0.007143 0.003472 0.005058 9C 1dx2y2 -0.005578 -0.002151 -0.004962 -0.004397 -0.004197 0.000905 9C 1dxy -0.003863 -0.002643 -0.002242 0.000319 0.001189 0.009847 9C 2dz2 -0.073329 0.064834 -0.423416 -0.101007 -0.073461 0.096082 9C 2dxz 0.179208 0.121024 -0.301617 -0.195436 -0.080466 -0.217540 9C 2dyz -0.079542 -0.065973 -0.527931 -0.004578 -0.050498 -0.004504 9C 2dx2y2 -0.121822 0.081607 0.365410 0.063964 0.054831 0.207994 9C 2dxy 0.129894 -0.065377 -0.033499 -0.021206 0.067266 -0.225461 9C 1f0 0.014810 -0.000522 0.005305 -0.006659 0.007466 -0.016986 9C 1f+1 -0.002967 0.008000 -0.002473 -0.016875 -0.008890 0.000129 9C 1f-1 -0.004972 0.005052 0.049263 -0.012112 0.005460 -0.008053 9C 1f+2 -0.010077 -0.002322 -0.018873 0.004965 -0.003408 0.009940 9C 1f-2 -0.004570 -0.000630 0.032911 -0.000223 0.010685 0.008390 9C 1f+3 -0.004173 -0.005349 -0.000733 -0.008113 -0.003652 -0.010317 9C 1f-3 0.006563 -0.000518 -0.016206 -0.004301 -0.010288 -0.016670 10H 1s -0.008543 0.003611 -0.061575 -0.021643 0.010043 -0.008423 10H 2s 0.309124 -0.072106 0.095123 0.227145 0.003167 0.300784 10H 3s 0.067936 0.076941 0.893619 0.164489 -0.248810 0.179277 10H 1pz 0.028365 -0.014965 0.022217 0.018294 -0.004729 0.041131 10H 1px -0.028481 0.006582 0.055051 -0.001327 -0.022164 -0.018574 10H 1py -0.000409 0.002950 0.007191 0.000471 -0.003438 0.042931 11H 1s -0.001291 0.002141 0.007337 -0.006737 -0.015189 -0.016300 11H 2s -0.036018 0.210388 -0.391080 -0.219838 0.216872 -0.003014 11H 3s 0.030020 -0.096180 0.317637 0.275100 -0.060494 0.139486 11H 1pz 0.005784 0.027841 -0.052019 -0.019540 0.031809 0.001007 11H 1px 0.005616 0.007565 -0.027333 -0.008207 0.017108 -0.027341 11H 1py 0.006752 -0.014516 0.035341 0.020904 -0.006345 -0.017781 12H 1s -0.003048 0.007930 -0.017854 -0.018662 0.003526 -0.014517 12H 2s -0.199269 -0.156410 -0.218280 -0.080044 -0.013110 -0.447836 12H 3s 0.085816 0.086351 0.462579 0.228130 -0.070021 0.429742 12H 1pz 0.019945 -0.002305 0.032040 0.005180 -0.000854 0.019062 12H 1px -0.009310 0.003769 0.013362 -0.014548 -0.015503 0.007137 12H 1py -0.018957 -0.034249 -0.047450 -0.013168 0.014459 -0.096295 13H 1s 0.008231 0.059596 0.002998 -0.001657 -0.000925 -0.004626 13H 2s -0.019946 -0.128962 -0.009260 0.235217 -0.588824 -0.527570 13H 3s -0.084597 -0.790220 0.075485 -0.710914 0.322323 0.584961 13H 1pz -0.011289 0.018626 0.003968 0.047937 -0.152528 -0.106233 13H 1px 0.006449 -0.035779 0.006120 -0.030771 0.030033 0.047205 13H 1py 0.003389 0.039386 0.007168 -0.016892 0.026358 0.046749 14H 1s -0.004016 0.028338 0.004671 -0.001727 0.020492 0.002599 14H 2s 0.019434 0.190822 -0.189137 -0.072222 0.560116 0.025786 14H 3s 0.172919 -0.524945 0.137181 -0.415912 -0.219782 0.317165 14H 1pz -0.006632 0.043136 -0.034959 0.013770 0.112911 0.017006 14H 1px -0.007912 0.017281 -0.020047 0.014949 0.047019 -0.033609 14H 1py 0.014788 0.046109 0.000153 -0.005548 0.030564 0.018975 15H 1s 0.006141 -0.013780 0.000926 0.011243 0.023428 0.002508 15H 2s -0.101926 0.446656 0.182630 0.093583 -0.022844 -0.037572 15H 3s 0.127134 -0.267248 -0.062393 -0.329463 -0.016231 0.365783 15H 1pz 0.002733 -0.035621 -0.009628 -0.015273 -0.017197 0.006348 15H 1px 0.001173 0.007887 -0.006918 -0.001839 0.090932 0.031752 15H 1py 0.037227 -0.061808 -0.025479 -0.053783 0.046750 0.034938 16H 1s -0.007344 -0.012485 -0.017720 0.031902 0.029222 0.054468 16H 2s -0.195920 -0.002960 0.039208 0.039851 -0.039018 -0.256055 16H 3s 0.077847 -0.023256 -0.055145 0.006111 0.072742 0.110649 16H 1pz 0.034919 -0.002170 0.027640 -0.008460 0.005351 -0.035198 16H 1px -0.199574 -0.003663 -0.037950 -0.037847 -0.001261 0.091286 16H 1py -0.112762 0.031191 0.007777 -0.055099 -0.087745 -0.029548 17H 1s 0.002640 -0.010444 -0.006396 0.039021 -0.022507 -0.059663 17H 2s 0.001914 -0.023600 0.004172 -0.002800 0.268291 0.233308 17H 3s -0.104584 -0.018887 -0.006450 0.008204 0.054484 -0.123243 17H 1pz -0.017358 -0.000904 0.000855 0.029632 -0.000601 0.043206 17H 1px 0.141097 -0.027120 0.005128 -0.047469 0.014363 -0.095862 17H 1py 0.152655 0.009295 0.013689 -0.085675 0.018875 0.042047 18H 1s 0.002137 0.010235 0.007255 -0.038469 -0.022596 0.060065 18H 2s 0.002162 0.024531 -0.008959 0.001325 0.265331 -0.232719 18H 3s -0.107202 0.020176 0.008259 -0.010131 0.054457 0.121714 18H 1pz 0.019340 -0.001870 -0.000547 0.030679 0.001357 0.044647 18H 1px -0.140944 -0.025178 0.005789 -0.046975 -0.014465 -0.096542 18H 1py -0.156874 0.010214 0.014782 -0.086446 -0.019011 0.044343 19H 1s -0.008350 0.011867 0.017757 -0.033241 0.024849 -0.055409 19H 2s -0.198695 0.007282 -0.038840 -0.035432 -0.020939 0.267408 19H 3s 0.074297 0.022129 0.054134 -0.007395 0.065846 -0.109889 19H 1pz -0.036872 -0.003287 0.027741 -0.008488 -0.010160 -0.034108 19H 1px 0.205847 -0.004473 -0.040312 -0.036026 0.003387 0.086652 19H 1py 0.112791 0.030677 0.006782 -0.055157 0.085140 -0.032011 20H 1s 0.006452 0.013248 -0.001181 -0.011519 0.023428 -0.003493 20H 2s -0.113265 -0.442127 -0.177970 -0.096820 -0.024012 0.037177 20H 3s 0.125358 0.267783 0.060224 0.330197 -0.014487 -0.366344 20H 1pz -0.003615 -0.035709 -0.009729 -0.015815 0.016106 0.006749 20H 1px -0.002024 0.007636 -0.006753 0.000726 -0.087694 0.033416 20H 1py -0.037816 -0.060855 -0.024670 -0.053313 -0.047250 0.036412 21H 1s -0.004748 -0.027724 -0.004649 0.001378 0.020753 -0.003064 21H 2s 0.026814 -0.192510 0.187896 0.060458 0.552500 -0.041276 21H 3s 0.160493 0.518258 -0.136798 0.416748 -0.215274 -0.314093 21H 1pz 0.004669 0.043129 -0.035189 0.016818 -0.109186 0.019649 21H 1px 0.007017 0.016749 -0.019565 0.015249 -0.046220 -0.032630 21H 1py -0.014687 0.045735 0.000154 -0.005180 -0.030412 0.020181 22H 1s 0.007444 -0.060028 -0.002782 0.001818 -0.000129 0.004222 22H 2s -0.018543 0.129368 0.008559 -0.217193 -0.582404 0.549653 22H 3s -0.092617 0.795039 -0.075628 0.698158 0.325472 -0.596337 22H 1pz 0.011178 0.018223 0.003828 0.043379 0.148659 -0.110041 22H 1px -0.006107 -0.036413 0.006386 -0.030335 -0.031523 0.048981 22H 1py -0.002138 0.038953 0.007042 -0.016437 -0.027348 0.049061 23H 1s -0.003114 -0.007887 0.016908 0.017891 0.003706 0.013789 23H 2s -0.187275 0.161009 0.228725 0.067617 0.001386 0.424206 23H 3s 0.078762 -0.086835 -0.458029 -0.222247 -0.090189 -0.422486 23H 1pz -0.019297 -0.001796 0.031402 0.004026 0.001471 0.017791 23H 1px 0.009068 0.004291 0.013002 -0.015691 0.015253 0.005859 23H 1py 0.017401 -0.034866 -0.048184 -0.010883 -0.016616 -0.090233 24H 1s -0.001690 -0.001814 -0.006307 0.006496 -0.014501 0.016472 24H 2s -0.041469 -0.211731 0.386139 0.223045 0.226914 0.010177 24H 3s 0.038462 0.097634 -0.324062 -0.284557 -0.078731 -0.153211 24H 1pz -0.004965 0.028566 -0.051042 -0.021544 -0.033233 -0.002119 24H 1px -0.005914 0.007880 -0.026914 -0.007993 -0.018519 -0.025052 24H 1py -0.007238 -0.014740 0.035992 0.022287 0.007121 -0.014943 25H 1s -0.008313 -0.003313 0.062139 0.020943 0.011480 0.008202 25H 2s 0.313123 0.069327 -0.101707 -0.213511 -0.007360 -0.283922 25H 3s 0.065762 -0.075547 -0.898673 -0.169865 -0.270469 -0.186280 25H 1pz -0.028339 -0.014731 0.021855 0.016843 0.004930 0.039586 25H 1px 0.028896 0.006136 0.054660 0.000360 0.022675 -0.016278 25H 1py 0.001037 0.003404 0.008766 -0.001141 0.004180 0.038815 26O 1s 0.010226 -0.000288 0.005707 0.002128 0.000536 0.009470 26O 2s 0.021289 -0.000685 0.007143 0.003214 0.001754 0.023230 26O 3s 0.063430 -0.001711 0.141211 0.059517 -0.017249 -0.003907 26O 4s -1.019573 0.024962 -1.052892 -0.385901 0.068540 -0.474984 26O 5s 2.381033 -0.046651 -0.387235 -1.255115 0.832789 -0.849349 26O 1pz -0.034707 0.020758 0.056847 -0.007673 -0.026920 -0.060364 26O 1px 0.027820 0.016434 0.021587 -0.038400 -0.019128 0.019892 26O 1py 0.006063 -0.018618 0.045604 0.001912 -0.000207 -0.032627 26O 2pz -0.053086 0.018554 0.076565 0.025931 -0.068412 -0.013223 26O 2px 0.150889 -0.000385 0.336360 0.254175 -0.090499 0.329353 26O 2py 0.023209 -0.034398 0.169250 0.175660 -0.057929 0.110533 26O 3pz 0.868115 -0.035194 0.685628 0.121308 -0.103668 -0.307080 26O 3px -0.031834 -0.106376 0.328377 0.927343 -0.265008 0.088965 26O 3py 0.757019 0.126078 0.571580 0.198663 -0.101741 -0.147372 26O 1dz2 -0.005729 -0.000801 -0.001582 0.000402 -0.000503 -0.000502 26O 1dxz -0.004258 0.001551 0.011925 -0.001347 -0.003585 -0.001988 26O 1dyz -0.007756 0.001230 0.005104 -0.000991 -0.000297 0.002769 26O 1dx2y2 0.002143 -0.000023 -0.002713 0.001352 -0.001032 0.000371 26O 1dxy 0.000978 -0.000637 0.007739 0.002342 -0.000733 -0.000168 26O 2dz2 0.090287 0.010752 -0.053557 -0.014945 0.023880 0.081376 26O 2dxz -0.033849 -0.004795 -0.017376 -0.011859 0.027555 -0.050708 26O 2dyz -0.033533 -0.026886 -0.170207 0.077148 -0.023328 0.023315 26O 2dx2y2 -0.044843 0.004133 -0.032739 -0.125907 0.006878 0.023247 26O 2dxy -0.040790 0.015674 -0.085320 -0.043615 0.017719 0.020744 26O 1f0 0.000748 -0.000689 -0.004244 -0.002024 0.002823 0.000627 26O 1f+1 -0.000478 0.000192 -0.005292 -0.006119 0.001439 -0.004146 26O 1f-1 0.002880 -0.000136 -0.009241 -0.005649 0.000945 -0.004238 26O 1f+2 -0.001772 -0.000218 0.009339 -0.001135 -0.000982 0.001984 26O 1f-2 0.000260 -0.000669 -0.002638 0.000991 0.000283 -0.002215 26O 1f+3 -0.001059 0.000902 0.000494 -0.000089 -0.000523 -0.001769 26O 1f-3 -0.000719 0.000387 -0.003511 -0.008495 -0.000182 -0.003596 27O 1s 0.002840 -0.006812 0.001284 -0.000921 -0.005461 -0.012143 27O 2s 0.007477 -0.009831 0.003286 -0.000617 -0.013955 -0.032269 27O 3s -0.010649 -0.136818 -0.005258 -0.064665 0.027811 0.105202 27O 4s 0.015556 1.087201 -0.049041 0.353072 0.277158 0.152186 27O 5s -1.886130 0.239575 -0.038519 1.688003 -1.402324 -1.701475 27O 1pz -0.043479 -0.035160 -0.029868 0.033391 -0.000751 0.036739 27O 1px -0.007612 -0.026854 0.006921 0.002265 -0.064163 -0.025850 27O 1py 0.022054 0.054454 -0.013529 -0.001170 -0.025040 -0.040262 27O 2pz -0.005876 0.000216 -0.032050 0.040212 -0.005236 0.056995 27O 2px 0.184294 -0.352204 0.021577 -0.369218 -0.097946 0.205866 27O 2py -0.039777 0.100086 -0.020507 0.148251 -0.008256 -0.115052 27O 3pz -0.558141 -0.397052 0.119587 -0.347940 0.479551 0.046132 27O 3px 0.625438 -0.477554 -0.030659 -0.828931 1.106822 0.820218 27O 3py 0.058237 0.677454 0.086492 0.356530 -0.927963 -0.298167 27O 1dz2 -0.002514 0.003302 0.000723 0.001485 -0.002340 -0.001443 27O 1dxz -0.002188 -0.007644 -0.000609 -0.001535 0.004048 0.001232 27O 1dyz -0.002038 0.001066 -0.000088 -0.002208 -0.001769 0.003325 27O 1dx2y2 0.000103 -0.000123 0.000505 -0.003716 -0.003082 0.002575 27O 1dxy -0.006849 0.011916 -0.001547 0.007043 -0.009548 -0.000118 27O 2dz2 0.081417 -0.083260 -0.015330 0.015393 0.120143 0.080794 27O 2dxz -0.000713 -0.003957 0.007646 0.058582 0.035703 -0.000777 27O 2dyz -0.072492 -0.174727 0.003399 0.099917 0.052976 -0.085291 27O 2dx2y2 -0.030318 -0.023177 0.002363 0.173818 -0.073943 -0.124043 27O 2dxy -0.026812 -0.079009 0.017420 -0.084555 -0.007199 0.035995 27O 1f0 0.000839 -0.003179 -0.000121 -0.001362 0.000549 -0.001190 27O 1f+1 -0.002627 0.001723 0.000480 0.009276 -0.007126 -0.011023 27O 1f-1 0.000288 -0.001629 -0.001241 -0.002513 0.002631 0.000927 27O 1f+2 -0.001030 -0.008466 0.000836 0.005072 0.000836 -0.000440 27O 1f-2 -0.001121 -0.007740 0.000251 -0.006279 0.003102 -0.000126 27O 1f+3 -0.004150 0.006152 -0.000100 0.009445 -0.005941 -0.011803 27O 1f-3 0.001102 -0.006779 -0.000558 -0.008767 0.009420 0.008271 28O 1s -0.005159 0.000459 0.009452 0.000328 -0.002680 -0.010746 28O 2s -0.013659 0.001186 0.016541 -0.000428 -0.005230 -0.029867 28O 3s 0.027086 -0.005723 0.126923 0.056686 -0.039645 0.124815 28O 4s 0.047760 0.001563 -1.195834 -0.284088 0.354323 -0.031874 28O 5s 1.575316 0.092031 0.103735 -1.735711 1.203930 -1.660325 28O 1pz 0.057654 0.024907 0.058788 -0.014819 -0.001031 0.033443 28O 1px 0.032125 0.012101 0.006403 -0.015892 0.027950 0.060520 28O 1py 0.028451 -0.025809 0.035810 0.005750 -0.008430 0.027114 28O 2pz -0.065736 0.003406 0.237562 0.257437 -0.212224 0.236953 28O 2px 0.139010 0.033289 -0.279306 -0.279504 0.221383 -0.133060 28O 2py 0.010672 -0.043360 0.035108 0.113593 -0.044734 0.069363 28O 3pz -0.326031 -0.113657 0.813931 0.647648 -0.379958 0.798571 28O 3px 0.858896 -0.043821 -0.046529 -0.459833 0.365826 -0.624494 28O 3py -0.077125 0.120207 0.502200 -0.001919 -0.172410 0.302025 28O 1dz2 0.000509 0.000524 0.009106 0.002801 -0.000450 0.001400 28O 1dxz 0.003686 -0.000498 -0.005790 -0.004370 0.004181 -0.003902 28O 1dyz -0.003130 -0.000412 0.006266 0.000900 -0.001240 -0.001270 28O 1dx2y2 -0.002879 -0.000934 -0.003850 0.001616 0.000147 -0.001580 28O 1dxy 0.001951 0.001664 -0.005765 -0.004718 0.002135 -0.002100 28O 2dz2 -0.042396 0.002489 -0.064741 -0.095944 -0.038959 0.009747 28O 2dxz -0.079779 -0.014786 0.021198 0.125681 -0.113305 0.155713 28O 2dyz -0.056442 -0.015711 -0.167105 0.128675 0.028627 0.017679 28O 2dx2y2 -0.003474 0.007832 -0.036733 -0.054419 0.025728 -0.043262 28O 2dxy -0.005626 -0.027755 -0.060517 0.124895 -0.006572 0.052531 28O 1f0 0.001461 0.000869 -0.002185 -0.008978 0.000672 -0.004547 28O 1f+1 -0.000371 0.000744 -0.005572 -0.005618 0.003532 -0.009764 28O 1f-1 -0.002058 -0.000755 -0.010548 0.000413 -0.000115 0.000992 28O 1f+2 -0.002430 -0.001651 0.006436 0.009328 -0.006162 0.013828 28O 1f-2 -0.000865 -0.000535 -0.003856 -0.002207 -0.000303 -0.003202 28O 1f+3 -0.003452 -0.000455 -0.002322 0.005056 -0.002153 0.005331 28O 1f-3 -0.001861 0.000395 -0.004088 -0.006109 0.001262 -0.005225 29O 1s 0.000158 -0.000214 -0.000313 0.000695 -0.000406 -0.000287 29O 2s -0.000092 -0.001045 -0.001237 0.002072 0.000084 -0.000808 29O 3s 0.009563 0.013639 0.013485 -0.013454 -0.022852 0.003631 29O 4s -0.069646 -0.035675 -0.027139 -0.033167 0.145221 -0.001368 29O 5s 0.223284 -0.027532 -0.058435 0.427290 -0.382990 -0.014601 29O 1pz 0.003117 0.010922 -0.019012 0.000407 -0.012831 -0.005848 29O 1px 0.005480 0.009206 -0.000655 -0.006839 0.013081 -0.000195 29O 1py -0.001680 -0.022603 -0.014942 0.002340 0.030361 0.001168 29O 2pz 0.027806 -0.001160 0.030871 -0.001172 -0.040244 -0.139512 29O 2px 0.016227 -0.008368 -0.003449 0.007281 -0.015383 -0.055095 29O 2py 0.009533 0.019052 0.018856 -0.039698 -0.013977 0.019240 29O 3pz -0.365791 -0.028775 -0.028471 0.091568 -0.097254 0.038775 29O 3px -0.074165 0.064578 0.067060 -0.178312 -0.083969 0.043866 29O 3py -0.128880 -0.021008 -0.002156 0.063430 0.176847 -0.036343 29O 1dz2 -0.002535 0.000220 -0.000232 0.002508 -0.000972 0.001876 29O 1dxz 0.006328 -0.000489 0.000962 0.002502 0.000706 -0.002437 29O 1dyz 0.002678 -0.001213 0.000568 0.000758 0.001286 -0.001255 29O 1dx2y2 0.002667 0.000110 0.000465 -0.005225 0.000216 -0.000975 29O 1dxy 0.001917 0.000872 0.000889 -0.003362 -0.000667 0.000248 29O 2dz2 -0.081361 0.000285 0.006681 -0.059175 0.001366 0.098779 29O 2dxz 0.212128 0.010030 -0.032374 0.027747 -0.043959 -0.094226 29O 2dyz 0.125026 0.009136 -0.016291 -0.018101 0.054037 0.105796 29O 2dx2y2 0.097979 0.047510 0.015596 -0.152119 -0.069473 -0.021103 29O 2dxy 0.065172 -0.033116 -0.017328 0.080668 0.086204 0.054657 29O 1f0 -0.000517 0.002340 0.001521 -0.006656 -0.002244 -0.000106 29O 1f+1 0.000232 -0.000520 -0.001616 0.004138 0.000095 -0.000999 29O 1f-1 0.000074 0.001409 0.001832 -0.002361 -0.002557 -0.004335 29O 1f+2 -0.001525 -0.001283 -0.000739 0.005364 0.002294 0.001750 29O 1f-2 0.000748 0.000036 0.000361 -0.002506 0.002828 0.006555 29O 1f+3 -0.000423 -0.000187 -0.000572 0.005111 -0.000915 -0.002170 29O 1f-3 -0.000872 -0.001605 -0.001158 0.001956 -0.000413 -0.003146 30O 1s -0.006107 -0.007814 -0.000383 -0.003920 0.006503 0.007918 30O 2s -0.012340 -0.012405 -0.001437 -0.007307 0.018135 0.020480 30O 3s -0.041656 -0.134432 0.010509 -0.062206 -0.066211 -0.023333 30O 4s 0.675848 1.150761 -0.027956 0.504705 -0.221749 -0.272487 30O 5s -2.435591 -0.013788 -0.014797 0.883410 0.963815 -0.826877 30O 1pz 0.015834 -0.041035 -0.023622 0.026467 0.059911 -0.021818 30O 1px 0.020552 -0.011659 0.006754 -0.024541 -0.085186 -0.042276 30O 1py 0.010337 0.062352 -0.029494 -0.000910 -0.046245 0.053069 30O 2pz 0.017511 -0.193236 -0.035729 -0.118479 0.053130 0.129502 30O 2px 0.042586 0.252991 -0.000452 0.212723 -0.038114 -0.226654 30O 2py -0.055464 0.207787 -0.025541 0.195437 -0.057136 -0.083962 30O 3pz -0.023791 -0.504234 0.201195 -0.635527 -0.847794 -0.104610 30O 3px -0.537352 -0.163751 0.010012 0.604946 0.438803 -0.318935 30O 3py 0.809623 0.754025 -0.019238 0.403905 1.112504 0.208399 30O 1dz2 0.002876 -0.003247 -0.000609 0.000759 0.000222 -0.001231 30O 1dxz 0.000042 0.001756 0.001498 -0.000009 -0.001575 -0.001338 30O 1dyz -0.007429 0.008663 -0.000625 0.001164 0.007970 -0.000784 30O 1dx2y2 -0.004804 0.010177 -0.000641 -0.001678 0.008884 0.002312 30O 1dxy -0.005188 -0.005119 0.001155 -0.001958 0.000861 -0.002710 30O 2dz2 -0.043422 -0.059392 0.017083 0.029408 -0.043532 -0.023175 30O 2dxz -0.082539 -0.015576 -0.011187 -0.021627 -0.133212 0.044859 30O 2dyz -0.016679 -0.174172 0.019826 -0.038380 -0.053914 -0.067717 30O 2dx2y2 -0.042301 -0.038278 -0.012104 0.111205 0.031682 0.025605 30O 2dxy -0.013656 -0.043254 0.001712 0.083779 0.064237 -0.075858 30O 1f0 0.000469 -0.004892 0.000051 0.004390 0.006180 -0.001070 30O 1f+1 0.000224 0.003416 -0.000381 -0.002406 0.003917 -0.001253 30O 1f-1 0.001001 -0.001216 -0.000750 -0.002480 0.000135 -0.001770 30O 1f+2 0.001367 -0.006022 0.000557 -0.002248 -0.006400 0.005789 30O 1f-2 0.001975 -0.006926 0.000948 -0.008691 -0.015198 0.004209 30O 1f+3 -0.002413 0.008816 -0.000968 0.003335 0.006010 0.000191 30O 1f-3 0.000547 -0.005424 -0.000256 -0.005966 -0.010384 0.004820 31O 1s -0.006219 0.007936 0.000406 0.003658 0.006179 -0.008199 31O 2s -0.012657 0.012675 0.001478 0.006662 0.017313 -0.021246 31O 3s -0.040902 0.134809 -0.010266 0.062665 -0.065088 0.025512 31O 4s 0.677550 -1.161079 0.025300 -0.486616 -0.208333 0.282137 31O 5s -2.419570 0.044673 0.037799 -0.920555 0.961883 0.807490 31O 1pz -0.017654 -0.040957 -0.023220 0.027210 -0.059656 -0.019793 31O 1px -0.020715 -0.011105 0.006625 -0.027238 0.082465 -0.045369 31O 1py -0.010044 0.062349 -0.029923 -0.001821 0.047442 0.053019 31O 2pz -0.019590 -0.193682 -0.034764 -0.115153 -0.048041 0.132732 31O 2px -0.043892 0.255000 -0.000655 0.207841 0.030953 -0.230978 31O 2py 0.051076 0.207469 -0.027138 0.192952 0.055232 -0.086287 31O 3pz 0.054193 -0.503053 0.200293 -0.650234 0.825838 -0.125353 31O 3px 0.529406 -0.170406 0.005477 0.615627 -0.429503 -0.308666 31O 3py -0.812780 0.756546 -0.012743 0.417609 -1.090431 0.243219 31O 1dz2 0.002872 0.003224 0.000587 -0.000731 0.000207 0.001158 31O 1dxz 0.000028 -0.001790 -0.001490 0.000092 -0.001458 0.001430 31O 1dyz -0.007410 -0.008561 0.000673 -0.001439 0.007928 0.000571 31O 1dx2y2 -0.004783 -0.010074 0.000669 0.001380 0.008803 -0.002656 31O 1dxy -0.005286 0.005153 -0.001142 0.001855 0.000909 0.002718 31O 2dz2 -0.037867 0.059889 -0.016361 -0.029786 -0.043964 0.025008 31O 2dxz -0.082496 0.016563 0.012383 0.021522 -0.133606 -0.040508 31O 2dyz -0.016010 0.174217 -0.019437 0.039598 -0.051467 0.068158 31O 2dx2y2 -0.038816 0.038661 0.012240 -0.113360 0.028195 -0.025065 31O 2dxy -0.010354 0.042960 -0.001716 -0.084524 0.064252 0.076307 31O 1f0 -0.000674 -0.004881 0.000083 0.004472 -0.006123 -0.000988 31O 1f+1 -0.000133 0.003390 -0.000360 -0.002354 -0.004022 -0.001173 31O 1f-1 -0.000864 -0.001209 -0.000734 -0.002493 -0.000292 -0.001715 31O 1f+2 -0.001455 -0.006024 0.000527 -0.002335 0.006487 0.005652 31O 1f-2 -0.001963 -0.006888 0.000900 -0.008978 0.015049 0.003860 31O 1f+3 0.002378 0.008770 -0.000992 0.003527 -0.005869 0.000422 31O 1f-3 -0.000454 -0.005428 -0.000281 -0.006149 0.010362 0.004560 32O 1s 0.000134 0.000175 0.000340 -0.000746 -0.000669 0.000306 32O 2s -0.000202 0.000937 0.001318 -0.002222 -0.000610 0.000849 32O 3s 0.010791 -0.013205 -0.013920 0.014182 -0.020897 -0.003430 32O 4s -0.073485 0.036363 0.027188 0.033070 0.154313 0.000393 32O 5s 0.228150 0.021355 0.062494 -0.431089 -0.431663 0.010257 32O 1pz -0.003112 0.011287 -0.018790 -0.000279 0.013119 -0.006836 32O 1px -0.006306 0.008927 -0.000285 -0.007071 -0.013717 0.000344 32O 1py 0.002391 -0.022741 -0.014795 0.002713 -0.030765 0.001460 32O 2pz -0.029243 -0.002077 0.030082 -0.002053 0.034160 -0.140494 32O 2px -0.015634 -0.008062 -0.004381 0.007766 0.016098 -0.054145 32O 2py -0.011892 0.018258 0.020336 -0.040418 0.012084 0.015831 32O 3pz 0.373950 -0.028689 -0.031008 0.091942 0.106321 0.028752 32O 3px 0.067694 0.062927 0.067674 -0.182158 0.064643 0.046622 32O 3py 0.145360 -0.021404 -0.003099 0.065297 -0.173948 -0.041633 32O 1dz2 -0.002531 -0.000221 0.000285 -0.002508 -0.001045 -0.001950 32O 1dxz 0.006495 0.000462 -0.000998 -0.002446 0.000745 0.002298 32O 1dyz 0.002692 0.001179 -0.000610 -0.000715 0.001263 0.001211 32O 1dx2y2 0.002650 -0.000150 -0.000464 0.005222 0.000321 0.000924 32O 1dxy 0.002163 -0.000882 -0.000912 0.003408 -0.000551 -0.000311 32O 2dz2 -0.086286 -0.001064 -0.005712 0.055505 -0.005470 -0.097060 32O 2dxz 0.214020 -0.011566 0.031223 -0.023239 -0.044420 0.096444 32O 2dyz 0.126936 -0.012185 0.014021 0.021286 0.046218 -0.109266 32O 2dx2y2 0.096058 -0.048963 -0.016353 0.154594 -0.068085 0.025426 32O 2dxy 0.075345 0.033654 0.014940 -0.079161 0.083817 -0.055925 32O 1f0 0.000453 0.002200 0.001414 -0.006524 0.001795 0.000019 32O 1f+1 -0.000192 -0.000585 -0.001706 0.004362 0.000060 -0.001196 32O 1f-1 -0.000091 0.001405 0.001881 -0.002640 0.002167 -0.004356 32O 1f+2 0.001677 -0.001324 -0.000857 0.005554 -0.002002 0.001802 32O 1f-2 -0.000744 0.000005 0.000425 -0.002313 -0.002783 0.006659 32O 1f+3 0.000506 -0.000121 -0.000617 0.005045 0.000992 -0.001942 32O 1f-3 0.000853 -0.001603 -0.001156 0.001865 0.000430 -0.003282 33O 1s -0.004947 -0.000441 -0.009423 -0.000518 -0.002568 0.010683 33O 2s -0.013069 -0.001120 -0.016443 -0.000107 -0.004801 0.029627 33O 3s 0.025730 0.005243 -0.127442 -0.054614 -0.044925 -0.122144 33O 4s 0.044066 0.000462 1.197675 0.284799 0.376495 0.026607 33O 5s 1.545230 -0.106876 -0.131679 1.719636 1.284025 1.584017 33O 1pz -0.055029 0.025183 0.059165 -0.015637 0.001966 0.035013 33O 1px -0.032379 0.012182 0.006849 -0.016962 -0.027673 0.058949 33O 1py -0.028846 -0.025821 0.036480 0.005063 0.008984 0.027685 33O 2pz 0.063430 0.003150 0.235668 0.255420 0.229650 0.231852 33O 2px -0.136444 0.033595 -0.278455 -0.279554 -0.238153 -0.127415 33O 2py -0.014986 -0.043338 0.035891 0.113009 0.049080 0.068905 33O 3pz 0.293625 -0.113949 0.809346 0.634516 0.399258 0.740242 33O 3px -0.833600 -0.039503 -0.036060 -0.460288 -0.384572 -0.593424 33O 3py 0.084932 0.118720 0.501393 -0.009261 0.180383 0.277396 33O 1dz2 0.000474 -0.000525 -0.009088 -0.002690 -0.000504 -0.001111 33O 1dxz 0.003616 0.000488 0.005716 0.004362 0.004409 0.003694 33O 1dyz -0.003122 0.000454 -0.006272 -0.000827 -0.001151 0.001493 33O 1dx2y2 -0.002804 0.000924 0.003853 -0.001712 0.000120 0.001485 33O 1dxy 0.001879 -0.001694 0.005783 0.004685 0.002299 0.001942 33O 2dz2 -0.041858 -0.001764 0.066020 0.096007 -0.038104 -0.008697 33O 2dxz -0.078533 0.015575 -0.020111 -0.124577 -0.120539 -0.149666 33O 2dyz -0.049818 0.015883 0.167063 -0.130693 0.025862 -0.019599 33O 2dx2y2 -0.005453 -0.007230 0.037421 0.053139 0.026806 0.038052 33O 2dxy -0.004647 0.027157 0.060418 -0.124713 -0.011545 -0.052222 33O 1f0 -0.001348 0.000876 -0.002181 -0.008958 -0.000980 -0.004375 33O 1f+1 0.000306 0.000758 -0.005546 -0.005454 -0.003980 -0.009420 33O 1f-1 0.001795 -0.000763 -0.010596 0.000453 0.000104 0.001004 33O 1f+2 0.002451 -0.001646 0.006464 0.009097 0.006800 0.013244 33O 1f-2 0.000897 -0.000532 -0.003892 -0.002101 0.000252 -0.003040 33O 1f+3 0.003363 -0.000465 -0.002352 0.005042 0.002420 0.005125 33O 1f-3 0.001874 0.000395 -0.004141 -0.005968 -0.001496 -0.005023 34O 1s 0.002751 0.006710 -0.001295 0.001158 -0.005138 0.012394 34O 2s 0.007266 0.009578 -0.003307 0.001245 -0.013141 0.032867 34O 3s -0.011058 0.136955 0.004967 0.063094 0.026566 -0.105211 34O 4s 0.022589 -1.082527 0.050116 -0.360658 0.264323 -0.170792 34O 5s -1.868301 -0.222501 0.072341 -1.674524 -1.382806 1.740539 34O 1pz 0.041971 -0.035717 -0.030377 0.034380 0.002557 0.036290 34O 1px 0.007017 -0.026503 0.006917 0.000407 0.061956 -0.028550 34O 1py -0.022492 0.054910 -0.013562 -0.002476 0.023581 -0.041630 34O 2pz 0.002881 0.000045 -0.031864 0.040671 0.008322 0.057243 34O 2px -0.179839 -0.347943 0.025536 -0.374213 0.091807 0.197439 34O 2py 0.035853 0.099372 -0.022032 0.148392 0.008108 -0.113619 34O 3pz 0.576887 -0.400736 0.114947 -0.329902 -0.477124 0.055344 34O 3px -0.598917 -0.470602 -0.021634 -0.804303 -1.071422 0.848982 34O 3py -0.053003 0.680329 0.084443 0.333619 0.909088 -0.325480 34O 1dz2 -0.002517 -0.003276 -0.000692 -0.001451 -0.002286 0.001531 34O 1dxz -0.002125 0.007664 0.000610 0.001350 0.003941 -0.001326 34O 1dyz -0.002100 -0.001072 0.000105 0.002267 -0.001770 -0.003246 34O 1dx2y2 -0.000015 0.000064 -0.000503 0.003802 -0.003030 -0.002374 34O 1dxy -0.006854 -0.011896 0.001667 -0.006879 -0.009537 0.000413 34O 2dz2 0.084327 0.082481 0.013965 -0.016224 0.116521 -0.086627 34O 2dxz 0.000136 0.003916 -0.007731 -0.059838 0.034236 -0.000957 34O 2dyz -0.071985 0.175338 -0.002972 -0.101602 0.054070 0.085585 34O 2dx2y2 -0.025004 0.023876 -0.001619 -0.171594 -0.073589 0.122741 34O 2dxy -0.025596 0.079215 -0.017319 0.083006 -0.006176 -0.034766 34O 1f0 -0.000751 -0.003169 -0.000117 -0.001374 -0.000640 -0.001182 34O 1f+1 0.002513 0.001706 0.000424 0.009078 0.006990 -0.011161 34O 1f-1 -0.000250 -0.001642 -0.001230 -0.002454 -0.002667 0.000912 34O 1f+2 0.000797 -0.008508 0.000826 0.005170 -0.000672 -0.000352 34O 1f-2 0.001114 -0.007770 0.000266 -0.006193 -0.003210 -0.000058 34O 1f+3 0.004201 0.006123 -0.000161 0.009234 0.005769 -0.011976 34O 1f-3 -0.000989 -0.006803 -0.000484 -0.008513 -0.009327 0.008521 35O 1s 0.010354 0.000265 -0.005805 -0.001925 0.000317 -0.009386 35O 2s 0.021621 0.000660 -0.007344 -0.002767 0.001293 -0.022969 35O 3s 0.063603 0.000987 -0.141871 -0.058409 -0.019473 0.002354 35O 4s -1.027062 -0.019690 1.062980 0.365117 0.088104 0.472941 35O 5s 2.341179 0.035781 0.358664 1.271629 0.911393 0.866496 35O 1pz 0.035819 0.020373 0.056129 -0.006775 0.025979 -0.060791 35O 1px -0.027260 0.016208 0.021587 -0.040014 0.017784 0.017515 35O 1py -0.005424 -0.018329 0.046053 0.000946 -0.000829 -0.034823 35O 2pz 0.050826 0.018312 0.075254 0.025129 0.069924 -0.015165 35O 2px -0.156875 0.000820 0.337270 0.246157 0.104945 0.328713 35O 2py -0.029478 -0.033701 0.170526 0.171492 0.064293 0.107916 35O 3pz -0.881327 -0.031052 0.695072 0.117598 0.108583 -0.280483 35O 3px -0.011169 -0.105298 0.325781 0.929401 0.310746 0.115922 35O 3py -0.767744 0.130117 0.574629 0.199249 0.123579 -0.116766 35O 1dz2 -0.005850 0.000833 0.001633 -0.000544 -0.000530 0.000434 35O 1dxz -0.004189 -0.001518 -0.011856 0.001226 -0.003649 0.001805 35O 1dyz -0.007897 -0.001203 -0.005018 0.000804 -0.000466 -0.002933 35O 1dx2y2 0.002283 0.000037 0.002721 -0.001270 -0.001061 -0.000378 35O 1dxy 0.001116 0.000600 -0.007770 -0.002308 -0.000855 0.000113 35O 2dz2 0.092820 -0.012168 0.052407 0.017199 0.020253 -0.082689 35O 2dxz -0.035993 0.005083 0.017716 0.010319 0.028659 0.050050 35O 2dyz -0.026579 0.027693 0.170226 -0.077219 -0.025025 -0.023473 35O 2dx2y2 -0.048987 -0.003618 0.033048 0.125512 0.009667 -0.018356 35O 2dxy -0.042431 -0.015513 0.085579 0.043504 0.020004 -0.015419 35O 1f0 -0.000782 -0.000697 -0.004186 -0.002027 -0.002945 0.000550 35O 1f+1 0.000641 0.000140 -0.005289 -0.006098 -0.001816 -0.004448 35O 1f-1 -0.003037 -0.000158 -0.009240 -0.005688 -0.001300 -0.004350 35O 1f+2 0.001950 -0.000227 0.009329 -0.001000 0.001214 0.002212 35O 1f-2 -0.000365 -0.000668 -0.002634 0.001014 -0.000293 -0.002118 35O 1f+3 0.001045 0.000884 0.000539 -0.000169 0.000321 -0.002065 35O 1f-3 0.000956 0.000335 -0.003555 -0.008510 -0.000245 -0.004028 306 307 308 309 310 311 1.43452 1.44135 1.44294 1.44685 1.45379 1.45976 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s 0.001097 0.001801 -0.002164 -0.001542 0.001686 0.000129 0Rh 2s -0.005950 -0.009910 0.011848 0.004703 -0.005417 -0.000677 0Rh 3s 0.002774 0.004465 -0.005400 -0.006152 0.006558 0.000341 0Rh 4s 0.028603 0.047622 -0.056964 -0.021846 0.025272 0.003251 0Rh 5s -0.039263 -0.065617 0.078671 0.007474 -0.011686 -0.004234 0Rh 6s -0.014202 -0.023874 0.026613 0.113010 -0.117173 -0.002971 0Rh 7s 0.165544 0.405959 -0.482344 -0.667107 0.722455 -0.009001 0Rh 8s 0.144841 0.031559 -0.039631 -0.349897 0.295815 0.058022 0Rh 1pz -0.013460 0.007091 -0.002481 0.000662 0.003958 0.001986 0Rh 1px -0.003097 0.002101 0.000514 0.010569 -0.007696 0.002294 0Rh 1py -0.008131 0.002082 -0.000608 -0.000834 -0.002155 -0.009432 0Rh 2pz 0.044733 -0.023496 0.008004 -0.002324 -0.013741 -0.007054 0Rh 2px 0.010030 -0.007509 -0.001330 -0.035958 0.026194 -0.007829 0Rh 2py 0.026662 -0.007092 0.002361 0.002928 0.007274 0.031271 0Rh 3pz 0.009585 -0.006496 0.006874 0.001841 0.010237 0.007520 0Rh 3px 0.007747 0.009258 -0.007907 0.010724 -0.007957 0.002505 0Rh 3py 0.013008 0.001775 -0.006349 -0.002851 -0.000385 0.008682 0Rh 4pz -0.292108 0.158204 -0.073068 0.007886 0.032189 0.013387 0Rh 4px -0.088159 0.008117 0.036067 0.155621 -0.112586 0.035243 0Rh 4py -0.200811 0.035591 0.009550 -0.004580 -0.041884 -0.213178 0Rh 5pz 0.432760 -0.225744 0.119991 -0.033281 -0.016710 -0.017470 0Rh 5px 0.143152 -0.011303 -0.042371 -0.165000 0.105164 -0.045976 0Rh 5py 0.296532 -0.062843 -0.013268 0.014735 0.056829 0.323611 0Rh 6pz 1.076064 -0.870882 -0.081407 0.470061 -0.127537 -0.198464 0Rh 6px -0.006460 -0.135308 -0.166600 -1.035919 1.131094 -0.244703 0Rh 6py 0.943452 0.177937 -0.070702 -0.326388 0.303095 0.487661 0Rh 1dz2 -0.011012 -0.005577 -0.002834 0.002112 0.001030 0.013355 0Rh 1dxz 0.014732 -0.005844 0.004403 0.008974 0.019371 0.003030 0Rh 1dyz -0.012958 -0.008216 -0.002144 0.035343 0.022866 0.044714 0Rh 1dx2y2 -0.006140 -0.000247 -0.004999 0.023322 0.001677 0.002051 0Rh 1dxy 0.009717 -0.001506 -0.008645 -0.000060 0.014940 0.024419 0Rh 2dz2 0.003371 0.000661 0.002724 -0.000078 -0.002085 -0.003504 0Rh 2dxz -0.004452 0.001021 0.000014 0.001152 -0.003568 -0.000469 0Rh 2dyz 0.003865 0.001686 0.001125 -0.005948 -0.004568 -0.011014 0Rh 2dx2y2 0.001645 0.002375 -0.000362 -0.005844 0.002001 -0.000396 0Rh 2dxy -0.001709 0.001695 0.000943 -0.001887 -0.001523 -0.006771 0Rh 3dz2 0.010534 0.009925 -0.005189 -0.004600 0.006998 -0.015266 0Rh 3dxz -0.014372 0.009014 -0.010082 -0.025858 -0.028808 -0.004907 0Rh 3dyz 0.012801 0.011348 -0.000035 -0.054922 -0.032333 -0.054473 0Rh 3dx2y2 0.006852 -0.009609 0.013030 -0.027572 -0.012873 -0.002931 0Rh 3dxy -0.014825 -0.003888 0.015646 0.008657 -0.027808 -0.026600 0Rh 4dz2 0.057493 0.013120 0.039633 -0.000747 -0.036585 -0.062407 0Rh 4dxz -0.076147 0.018297 -0.004021 0.015084 -0.069207 -0.009928 0Rh 4dyz 0.066144 0.032403 0.018391 -0.115285 -0.087546 -0.197038 0Rh 4dx2y2 0.028741 0.033017 -0.002230 -0.110432 0.034185 -0.008132 0Rh 4dxy -0.033234 0.025349 0.021220 -0.032545 -0.030433 -0.117702 0Rh 5dz2 -0.213121 -0.040303 -0.150358 -0.019261 0.238231 0.254184 0Rh 5dxz 0.265035 -0.040379 0.008610 -0.168033 0.269333 0.044392 0Rh 5dyz -0.259038 -0.136274 -0.086770 0.421369 0.370712 0.782775 0Rh 5dx2y2 -0.101327 -0.133655 0.031868 0.494393 -0.238734 0.048309 0Rh 5dxy 0.104292 -0.107240 -0.076825 0.216324 0.051106 0.450317 0Rh 1f0 -0.010626 0.003822 0.002232 0.010214 -0.012369 -0.012182 0Rh 1f+1 -0.032416 -0.001443 0.001109 -0.020381 0.006805 0.023887 0Rh 1f-1 -0.054897 0.011417 0.012923 0.006620 0.027042 -0.055793 0Rh 1f+2 0.022322 -0.034915 0.021290 -0.028979 0.013847 -0.009501 0Rh 1f-2 -0.042578 -0.013703 0.007240 -0.031285 0.000852 0.011268 0Rh 1f+3 -0.010372 -0.002291 0.009918 -0.018506 0.026938 0.000512 0Rh 1f-3 -0.007687 -0.002421 0.008462 -0.014900 0.026593 -0.031677 1Rh 1s 0.001151 0.001742 -0.002090 0.001626 -0.001693 0.000174 1Rh 2s -0.006135 -0.009708 0.011624 -0.005139 0.005462 -0.000823 1Rh 3s 0.002976 0.004241 -0.005107 0.006372 -0.006569 0.000512 1Rh 4s 0.029468 0.046678 -0.055922 0.023934 -0.025485 0.003931 1Rh 5s -0.039774 -0.065074 0.078311 -0.010209 0.012021 -0.004581 1Rh 6s -0.017704 -0.019974 0.021255 -0.114697 0.117120 -0.005985 1Rh 7s 0.179633 0.392555 -0.451231 0.688223 -0.722516 0.006355 1Rh 8s 0.138682 0.041342 -0.025087 0.354387 -0.296892 0.064942 1Rh 1pz 0.013359 -0.007136 0.002388 0.000384 0.004491 -0.002044 1Rh 1px 0.002884 -0.001755 -0.000073 0.010467 -0.007494 -0.002221 1Rh 1py 0.007946 -0.001858 0.000544 -0.001038 -0.002469 0.009164 1Rh 2pz -0.044374 0.023633 -0.007692 -0.001417 -0.015516 0.007230 1Rh 2px -0.009318 0.006350 -0.000166 -0.035604 0.025509 0.007574 1Rh 2py -0.026034 0.006334 -0.002148 0.003611 0.008318 -0.030367 1Rh 3pz -0.010057 0.006808 -0.006829 0.002384 0.009955 -0.007094 1Rh 3px -0.007691 -0.009298 0.008312 0.010484 -0.007834 -0.002199 1Rh 3py -0.013117 -0.001680 0.006359 -0.002753 -0.000210 -0.008670 1Rh 4pz 0.292138 -0.160431 0.071065 0.000610 0.043475 -0.016314 1Rh 4px 0.083711 -0.001117 -0.029500 0.154484 -0.109104 -0.035234 1Rh 4py 0.197625 -0.031652 -0.010805 -0.008923 -0.048525 0.207611 1Rh 5pz -0.434141 0.230366 -0.117425 -0.022047 -0.033418 0.022202 1Rh 5px -0.134449 -0.001656 0.035699 -0.163074 0.099982 0.048022 1Rh 5py -0.291412 0.056656 0.015654 0.021530 0.066439 -0.313750 1Rh 6pz -1.055680 0.846396 0.096077 0.487842 -0.174463 0.216768 1Rh 6px -0.064143 0.226111 0.119389 -1.038154 1.115195 0.201535 1Rh 6py -0.956624 -0.160597 0.058768 -0.323920 0.330320 -0.505543 1Rh 1dz2 -0.012037 -0.004825 -0.002709 -0.002221 -0.001603 0.013303 1Rh 1dxz 0.015718 -0.006499 0.004080 -0.009257 -0.018799 0.002284 1Rh 1dyz -0.014233 -0.007473 -0.003372 -0.036535 -0.024231 0.042863 1Rh 1dx2y2 -0.006238 -0.000020 -0.005763 -0.023546 -0.001791 0.001326 1Rh 1dxy 0.009642 -0.001633 -0.008827 -0.000373 -0.015639 0.023588 1Rh 2dz2 0.003490 0.000574 0.002676 0.000030 0.002268 -0.003500 1Rh 2dxz -0.004585 0.001128 -0.000042 -0.001115 0.003416 -0.000440 1Rh 2dyz 0.004067 0.001559 0.001331 0.006231 0.004945 -0.010672 1Rh 2dx2y2 0.001715 0.002281 -0.000140 0.005948 -0.002025 -0.000202 1Rh 2dxy -0.001658 0.001668 0.001048 0.002049 0.001712 -0.006607 1Rh 3dz2 0.012362 0.008578 -0.005264 0.005047 -0.006485 -0.015169 1Rh 3dxz -0.016039 0.010041 -0.009089 0.026348 0.028154 -0.003305 1Rh 3dyz 0.014826 0.010205 0.001876 0.056416 0.033819 -0.051726 1Rh 3dx2y2 0.006765 -0.009706 0.013799 0.027631 0.013232 -0.002130 1Rh 3dxy -0.014882 -0.003470 0.015597 -0.008369 0.028587 -0.025409 1Rh 4dz2 0.059908 0.011423 0.038754 0.000270 0.039743 -0.062269 1Rh 4dxz -0.078980 0.020519 -0.004829 -0.014283 0.066608 -0.009224 1Rh 4dyz 0.070148 0.029967 0.022366 0.120399 0.094118 -0.190492 1Rh 4dx2y2 0.030056 0.031168 0.001895 0.112168 -0.034389 -0.004451 1Rh 4dxy -0.032338 0.024915 0.023082 0.035224 0.033726 -0.114620 1Rh 5dz2 -0.218009 -0.038189 -0.146104 0.019991 -0.250922 0.253081 1Rh 5dxz 0.276100 -0.050696 0.016633 0.165253 -0.261046 0.047383 1Rh 5dyz -0.272729 -0.128274 -0.100791 -0.441456 -0.396919 0.757087 1Rh 5dx2y2 -0.110874 -0.121182 0.012610 -0.501723 0.239236 0.030535 1Rh 5dxy 0.098894 -0.102565 -0.087054 -0.226882 -0.063505 0.438017 1Rh 1f0 0.011049 -0.003717 -0.001879 0.009730 -0.013045 0.013048 1Rh 1f+1 0.032416 0.001541 -0.001846 -0.019989 0.008232 -0.024561 1Rh 1f-1 0.054271 -0.010775 -0.012374 0.005155 0.026502 0.057705 1Rh 1f+2 -0.022099 0.034858 -0.023203 -0.027611 0.011804 0.008793 1Rh 1f-2 0.042100 0.014354 -0.008289 -0.030482 0.001359 -0.011601 1Rh 1f+3 0.009894 0.002614 -0.010488 -0.018215 0.027696 -0.000914 1Rh 1f-3 0.008051 0.002258 -0.009146 -0.015199 0.025361 0.032135 2C 1s -0.003803 -0.019880 0.023431 -0.000341 -0.032511 -0.014395 2C 2s -0.014094 -0.063043 0.074067 -0.001010 -0.101692 -0.044982 2C 3s 0.054135 0.591768 -0.733408 -0.029471 0.990931 0.538115 2C 4s 0.256407 -1.373700 1.890358 0.176668 -2.358254 -1.861282 2C 5s -0.112885 2.715154 -2.004248 0.515409 3.021726 -0.851361 2C 1pz 0.138452 -0.142894 -0.061555 -0.004124 -0.191694 -0.020922 2C 1px -0.220184 0.015698 -0.077589 -0.017709 0.114183 0.034539 2C 1py -0.025269 0.149155 0.177759 0.088898 0.031185 0.021646 2C 2pz -0.166510 0.426446 0.292436 0.118605 0.601005 -0.342426 2C 2px 0.397996 0.092084 0.127221 0.016407 -0.063460 -0.033487 2C 2py 0.137337 -0.379942 -0.458961 -0.176573 0.052348 -0.382336 2C 3pz 0.097211 -0.049479 0.063582 0.179813 -0.250282 -0.525774 2C 3px -0.417975 0.157145 -0.254297 0.018161 0.189120 0.338281 2C 3py -0.072819 0.180759 0.207892 0.082239 -0.049790 -0.311058 2C 1dz2 -0.016698 0.016064 -0.004979 0.003581 0.023166 -0.005031 2C 1dxz 0.024737 -0.008712 -0.001672 0.004776 -0.014837 0.006103 2C 1dyz 0.004592 0.002355 -0.008746 -0.004495 0.005268 -0.000005 2C 1dx2y2 0.008626 -0.005138 0.008085 0.001647 -0.006506 -0.002290 2C 1dxy 0.021263 -0.002307 0.008766 0.002792 -0.012279 0.002752 2C 2dz2 0.124975 -0.189306 -0.048129 -0.026828 -0.070213 -0.103893 2C 2dxz -0.397315 -0.022392 -0.215473 -0.084149 0.304957 -0.210272 2C 2dyz 0.094706 0.010103 0.076715 -0.002280 0.065377 -0.005446 2C 2dx2y2 0.182211 -0.177560 -0.171988 -0.041810 -0.210318 0.142225 2C 2dxy -0.293969 0.315635 0.147720 0.052157 0.322698 0.051689 2C 1f0 0.028621 -0.027402 -0.012324 -0.006756 -0.034417 -0.003899 2C 1f+1 -0.005078 0.013151 -0.003297 0.002430 0.012135 0.012209 2C 1f-1 0.014702 0.013515 -0.001819 0.009699 0.006073 -0.023574 2C 1f+2 -0.024168 0.003804 -0.016603 -0.009000 0.030031 0.004644 2C 1f-2 0.001997 -0.012788 0.008412 0.002757 -0.024133 -0.022632 2C 1f+3 -0.006388 0.015457 -0.034430 -0.003366 0.041652 0.007199 2C 1f-3 0.017799 0.005208 -0.002423 0.001463 -0.001198 0.024202 3C 1s -0.009623 -0.023085 0.022788 -0.019202 -0.002568 0.016911 3C 2s -0.030347 -0.072600 0.072783 -0.061286 -0.008456 0.052463 3C 3s 0.338001 0.704787 -0.684689 0.527158 0.060785 -0.637690 3C 4s -1.098360 -1.736256 1.584092 -1.067601 -0.146952 2.165078 3C 5s 0.186005 2.303979 -2.836478 1.223567 0.514329 0.480868 3C 1pz -0.098751 -0.157971 -0.121747 -0.030348 0.104130 0.021630 3C 1px -0.012345 -0.013510 -0.033509 -0.191646 0.036430 0.031980 3C 1py -0.056102 -0.054646 -0.109008 -0.136741 0.034773 -0.015536 3C 2pz 0.095080 0.395522 0.369765 0.233114 -0.334295 0.298381 3C 2px 0.016451 0.105242 0.062658 0.358097 -0.042713 0.116092 3C 2py 0.333664 0.180119 0.350434 0.179997 -0.106932 -0.296418 3C 3pz -0.318247 -0.238910 -0.073699 -0.021688 0.122186 0.487255 3C 3px 0.107828 0.112717 -0.080239 -0.295969 0.093020 0.049582 3C 3py 0.129964 -0.086441 -0.006243 -0.032621 0.005846 -0.337577 3C 1dz2 0.006034 0.009229 0.005440 -0.002334 -0.001651 -0.001914 3C 1dxz 0.001921 0.002719 -0.002517 0.011728 -0.001286 -0.007079 3C 1dyz -0.001828 -0.005306 0.008109 0.006360 -0.002399 -0.003051 3C 1dx2y2 -0.002457 -0.010998 0.007231 0.009653 -0.001923 -0.007002 3C 1dxy -0.001749 -0.000531 -0.002220 -0.027688 0.004602 0.011989 3C 2dz2 0.005209 -0.034437 0.025732 0.122667 -0.010989 0.011451 3C 2dxz -0.166575 -0.073208 -0.112789 -0.378176 0.072700 0.211246 3C 2dyz 0.057869 0.187613 0.144975 -0.123879 -0.081459 0.151335 3C 2dx2y2 -0.006292 -0.131807 -0.242870 -0.217955 0.188461 -0.097864 3C 2dxy 0.009039 -0.128910 -0.105490 0.187528 0.064473 -0.208968 3C 1f0 -0.005619 -0.025025 0.006511 -0.026852 0.004661 -0.015368 3C 1f+1 0.005481 -0.011145 -0.000816 0.010874 0.002821 -0.018157 3C 1f-1 0.001049 -0.000719 0.028606 0.000184 -0.007916 0.019149 3C 1f+2 0.014476 0.021216 -0.010883 -0.004684 -0.004508 -0.037067 3C 1f-2 0.004025 0.012063 -0.000432 0.004325 -0.006362 -0.021910 3C 1f+3 -0.006514 0.003218 -0.018095 -0.005433 0.010854 0.004219 3C 1f-3 -0.013182 -0.008916 0.009066 -0.030388 -0.003782 0.019465 4C 1s -0.015214 -0.025925 0.024481 -0.005262 -0.030603 0.004303 4C 2s -0.048458 -0.080703 0.076732 -0.016644 -0.094433 0.013165 4C 3s 0.494855 0.933128 -0.987694 0.161470 1.099212 0.147350 4C 4s -1.211116 -2.560702 2.891490 -0.305604 -3.267567 -0.719390 4C 5s 1.486781 -0.508636 1.449422 -0.604958 -0.623384 -2.536512 4C 1pz 0.122967 -0.216283 -0.187105 -0.104059 -0.111666 -0.048622 4C 1px -0.341909 0.012808 -0.160625 -0.045628 0.119010 -0.152688 4C 1py -0.034330 0.341389 0.313937 0.177484 0.203656 0.066296 4C 2pz -0.609212 -0.073362 0.960221 0.140336 -0.199234 -0.793401 4C 2px 1.428493 -0.286312 0.320348 0.176079 -0.354707 0.732330 4C 2py 0.143727 -0.840550 -0.013605 -0.273759 -0.602814 -0.412326 4C 3pz 0.274807 0.565748 0.349907 -0.023851 -0.190530 -2.739645 4C 3px 1.514658 -0.608229 0.282583 0.215637 -1.016116 -0.409738 4C 3py 0.685811 0.456429 0.591164 0.430703 -0.203227 -1.685644 4C 1dz2 0.004010 -0.000648 -0.009778 -0.003429 0.003516 -0.008782 4C 1dxz 0.010063 0.001589 -0.009862 -0.002931 0.004756 -0.005407 4C 1dyz 0.002610 0.001119 0.011562 0.000293 -0.000506 -0.017283 4C 1dx2y2 -0.005688 -0.016967 0.010602 -0.001092 -0.019141 -0.001102 4C 1dxy 0.005314 -0.005728 0.006721 -0.002702 -0.012580 -0.006736 4C 2dz2 0.189756 -0.079005 -0.197373 0.038475 -0.307067 0.410397 4C 2dxz -0.470894 0.406314 -0.494776 -0.093692 0.717730 0.718649 4C 2dyz -0.028475 -0.021355 0.006976 -0.046684 -0.089230 0.091825 4C 2dx2y2 0.029752 -0.232071 0.548298 -0.015888 -0.157463 -0.933476 4C 2dxy -0.243172 0.089551 0.085680 -0.096852 0.306442 -0.258861 4C 1f0 0.010272 0.012765 -0.028511 0.003701 0.018075 0.009266 4C 1f+1 0.017191 0.035384 -0.047044 0.002850 0.041283 0.029749 4C 1f-1 -0.024977 -0.009662 0.014438 -0.007173 -0.003793 -0.013081 4C 1f+2 -0.034020 -0.025095 0.032351 -0.008583 -0.029403 -0.032791 4C 1f-2 0.018149 -0.011768 0.004653 -0.002575 -0.008988 0.011824 4C 1f+3 -0.023614 -0.007311 0.005357 -0.009361 -0.008257 -0.018424 4C 1f-3 -0.007107 0.045594 -0.039791 0.001145 0.043867 0.011476 5C 1s -0.004717 -0.023901 0.028150 -0.028868 -0.005717 -0.006468 5C 2s -0.015486 -0.074340 0.088150 -0.090295 -0.018257 -0.020226 5C 3s 0.331490 0.921021 -1.042199 1.060946 0.218270 -0.061513 5C 4s -1.054764 -2.631892 2.869225 -2.910112 -0.504300 0.549224 5C 5s -1.596091 -1.376426 0.246100 -0.787665 -0.577738 2.502438 5C 1pz -0.104238 -0.323053 -0.286991 -0.102702 0.106132 -0.103064 5C 1px -0.010748 0.013650 -0.120676 -0.210070 0.013315 0.110687 5C 1py -0.049537 -0.208547 -0.208011 -0.197114 0.077934 -0.058720 5C 2pz -0.041241 0.198885 0.644917 -0.170081 -0.182341 0.541731 5C 2px -0.368800 -0.421056 0.755073 0.263171 -0.197769 -0.049615 5C 2py 0.498352 0.822277 -0.200111 0.778533 0.003109 -0.567205 5C 3pz -0.731420 -0.084248 -0.656524 -0.737925 0.083435 1.575026 5C 3px -0.690095 -0.508232 -0.037885 0.613611 -0.378290 0.532059 5C 3py 1.149396 -0.038926 0.476563 0.503893 0.037487 -2.693352 5C 1dz2 -0.001121 0.004202 -0.011979 0.002270 0.006132 -0.005455 5C 1dxz 0.005270 0.003953 -0.011517 0.008874 0.004250 0.003804 5C 1dyz 0.011922 0.012076 -0.001222 0.013399 -0.000166 -0.014421 5C 1dx2y2 -0.005070 -0.013877 0.008285 -0.009511 0.005586 -0.007464 5C 1dxy 0.007607 0.000250 0.000952 -0.006204 -0.000213 -0.007983 5C 2dz2 0.235121 0.184329 -0.205554 0.410075 0.071515 -0.533415 5C 2dxz 0.391477 0.318463 -0.174023 -0.106904 0.142658 -0.428993 5C 2dyz 0.061069 0.162354 -0.052335 -0.130404 0.079967 0.023355 5C 2dx2y2 -0.585115 -0.383148 0.324841 -0.639584 -0.021694 1.094051 5C 2dxy -0.041096 -0.245767 0.050728 0.561526 -0.155767 0.076631 5C 1f0 0.007911 0.022726 -0.030487 0.033774 0.006344 -0.021900 5C 1f+1 0.023625 0.033475 -0.046537 0.030023 0.013296 -0.014410 5C 1f-1 0.000192 0.001760 0.007093 0.005985 -0.002976 -0.001352 5C 1f+2 0.007331 0.010777 -0.012524 0.010966 0.008240 -0.002053 5C 1f-2 -0.011319 -0.016182 0.016432 -0.031000 0.001415 0.020406 5C 1f+3 0.017787 0.028614 -0.032018 0.025653 0.012113 -0.020497 5C 1f-3 -0.022146 -0.045456 0.039557 -0.039670 -0.007223 0.013200 6C 1s -0.005125 -0.023868 0.029256 0.027885 0.006321 -0.006040 6C 2s -0.016745 -0.074257 0.091590 0.087245 0.020097 -0.018818 6C 3s 0.345632 0.921394 -1.082601 -1.016984 -0.227329 -0.081140 6C 4s -1.095584 -2.631844 2.983914 2.780020 0.516044 0.603775 6C 5s -1.609037 -1.387474 0.263800 0.681556 0.499004 2.518435 6C 1pz 0.112975 0.319216 0.283883 -0.113123 0.100079 0.116788 6C 1px 0.004774 -0.007780 0.113020 -0.214194 0.022632 -0.116804 6C 1py 0.052590 0.208255 0.201045 -0.205076 0.075657 0.063881 6C 2pz 0.025177 -0.187189 -0.653976 -0.135399 -0.155821 -0.573342 6C 2px 0.393484 0.406375 -0.745496 0.297768 -0.220805 0.056576 6C 2py -0.504972 -0.827637 0.230535 0.752155 -0.019397 0.577186 6C 3pz 0.737479 0.084471 0.626288 -0.731322 0.166718 -1.603449 6C 3px 0.718739 0.490115 0.059170 0.640290 -0.370071 -0.516515 6C 3py -1.138578 0.032066 -0.456962 0.459582 -0.088851 2.732154 6C 1dz2 -0.001057 0.004172 -0.012234 -0.001556 -0.006235 -0.006041 6C 1dxz 0.005223 0.004057 -0.011921 -0.008621 -0.004343 0.003527 6C 1dyz 0.011972 0.012208 -0.001617 -0.012763 0.000741 -0.014468 6C 1dx2y2 -0.005497 -0.013757 0.008740 0.009384 -0.005282 -0.007779 6C 1dxy 0.007788 0.000180 0.001284 0.006379 0.000575 -0.007884 6C 2dz2 0.230429 0.192491 -0.221376 -0.389109 -0.050613 -0.553806 6C 2dxz 0.401238 0.313145 -0.169912 0.128966 -0.126584 -0.426586 6C 2dyz 0.070262 0.154747 -0.045140 0.136058 -0.084798 0.032027 6C 2dx2y2 -0.575236 -0.399176 0.348970 0.599858 -0.024308 1.121953 6C 2dxy -0.057273 -0.229254 0.029349 -0.574531 0.160020 0.056686 6C 1f0 -0.007953 -0.022934 0.031767 0.032062 0.005599 0.023037 6C 1f+1 -0.024220 -0.033515 0.047573 0.027752 0.013220 0.015122 6C 1f-1 0.000044 -0.002030 -0.006868 0.006286 -0.003207 0.001439 6C 1f+2 -0.007412 -0.011067 0.012875 0.010437 0.008271 0.002700 6C 1f-2 0.011190 0.016637 -0.017697 -0.029969 0.002498 -0.021191 6C 1f+3 -0.018147 -0.028710 0.033019 0.023739 0.011893 0.021383 6C 1f-3 0.022969 0.045288 -0.041100 -0.037550 -0.007209 -0.013655 7C 1s -0.016417 -0.024900 0.024787 0.003959 0.030499 0.005745 7C 2s -0.052234 -0.077503 0.077673 0.012584 0.094076 0.017614 7C 3s 0.540713 0.893603 -0.998582 -0.119844 -1.105504 0.094175 7C 4s -1.337150 -2.450692 2.919642 0.195713 3.297262 -0.548093 7C 5s 1.461529 -0.500440 1.467351 0.613278 0.756434 -2.515117 7C 1pz -0.124495 0.219587 0.186449 -0.108467 -0.121077 0.044227 7C 1px 0.342401 -0.010516 0.159261 -0.057521 0.119886 0.154099 7C 1py 0.033228 -0.343532 -0.310557 0.184760 0.214207 -0.056262 7C 2pz 0.637269 0.042919 -0.960147 0.149185 -0.203725 0.785413 7C 2px -1.432621 0.281682 -0.315581 0.218443 -0.367129 -0.739802 7C 2py -0.127421 0.828974 0.005394 -0.272372 -0.634860 0.388095 7C 3pz -0.235821 -0.593169 -0.358897 -0.091054 -0.270251 2.680807 7C 3px -1.502292 0.595158 -0.271176 0.231869 -1.070998 0.391443 7C 3py -0.661503 -0.482016 -0.588677 0.402326 -0.259449 1.672270 7C 1dz2 0.004180 -0.000835 -0.009910 0.003909 -0.003032 -0.008805 7C 1dxz 0.010461 0.001328 -0.009824 0.003281 -0.004417 -0.005532 7C 1dyz 0.002255 0.001361 0.011631 -0.000191 0.001132 -0.017532 7C 1dx2y2 -0.006246 -0.016482 0.010558 0.000513 0.019392 0.000102 7C 1dxy 0.005143 -0.005547 0.006758 0.002531 0.012812 -0.006206 7C 2dz2 0.192354 -0.079788 -0.202770 -0.045285 0.296876 0.413633 7C 2dxz -0.451451 0.384904 -0.486452 0.099039 -0.749259 0.709259 7C 2dyz -0.031597 -0.020455 0.010163 0.043911 0.088094 0.096335 7C 2dx2y2 0.013773 -0.216269 0.551592 0.017948 0.191087 -0.926136 7C 2dxy -0.247426 0.089505 0.092464 0.104592 -0.305135 -0.255193 7C 1f0 -0.011336 -0.011919 0.029074 0.002923 0.018467 -0.008423 7C 1f+1 -0.019138 -0.033619 0.047451 0.001568 0.042216 -0.027671 7C 1f-1 0.025608 0.009070 -0.014742 -0.006960 -0.003627 0.013032 7C 1f+2 0.035572 0.023567 -0.032817 -0.008244 -0.029879 0.031007 7C 1f-2 -0.018082 0.011424 -0.004514 -0.001782 -0.009067 -0.011934 7C 1f+3 0.024084 0.007034 -0.005696 -0.009675 -0.008363 0.017675 7C 1f-3 0.005330 -0.043969 0.040184 -0.000568 0.045024 -0.009554 8C 1s -0.009936 -0.023079 0.023635 0.017787 0.002336 0.017416 8C 2s -0.031330 -0.072597 0.075490 0.056843 0.007720 0.054097 8C 3s 0.347001 0.705090 -0.709570 -0.480986 -0.048403 -0.652599 8C 4s -1.118667 -1.739020 1.638168 0.939236 0.090605 2.200233 8C 5s 0.224335 2.305557 -2.883561 -1.094203 -0.601922 0.481501 8C 1pz 0.102302 0.157770 0.120969 -0.032996 0.104931 -0.010243 8C 1px 0.006825 0.018081 0.026357 -0.193198 0.040470 -0.033876 8C 1py 0.054720 0.057379 0.106104 -0.141620 0.037221 0.018218 8C 2pz -0.104848 -0.396274 -0.362802 0.252734 -0.320859 -0.329962 8C 2px -0.011291 -0.110267 -0.050267 0.364474 -0.042206 -0.117835 8C 2py -0.329787 -0.189165 -0.347600 0.185520 -0.129655 0.288542 8C 3pz 0.313933 0.241799 0.072680 -0.009937 0.142794 -0.478375 8C 3px -0.118936 -0.111142 0.069796 -0.302730 0.100399 -0.047464 8C 3py -0.136928 0.090288 0.011257 -0.037237 -0.011426 0.351288 8C 1dz2 0.006484 0.008927 0.005607 0.002393 0.001659 -0.001198 8C 1dxz 0.001712 0.002849 -0.003090 -0.011478 0.001532 -0.007443 8C 1dyz -0.002301 -0.004929 0.007869 -0.006586 0.002614 -0.003281 8C 1dx2y2 -0.002953 -0.010606 0.006938 -0.010020 0.002603 -0.007683 8C 1dxy -0.001051 -0.001314 -0.001146 0.027709 -0.005454 0.012850 8C 2dz2 0.002403 -0.031481 0.020657 -0.122786 0.013264 0.009677 8C 2dxz -0.159318 -0.087240 -0.104115 0.381621 -0.091025 0.216757 8C 2dyz 0.063218 0.183850 0.149595 0.120618 0.072702 0.169166 8C 2dx2y2 -0.004096 -0.134231 -0.234063 0.227560 -0.183989 -0.108392 8C 2dxy -0.000735 -0.123673 -0.114544 -0.182395 -0.053221 -0.227559 8C 1f0 0.006214 0.025210 -0.007596 -0.026632 0.003829 0.016072 8C 1f+1 -0.005082 0.009920 0.001451 0.011014 0.001412 0.019561 8C 1f-1 -0.001303 0.000527 -0.028731 0.001865 -0.007678 -0.020029 8C 1f+2 -0.014909 -0.020971 0.010843 -0.006396 -0.005458 0.036657 8C 1f-2 -0.004247 -0.012389 0.001341 0.003579 -0.006746 0.022228 8C 1f+3 0.005946 -0.002880 0.018128 -0.005835 0.011504 -0.003600 8C 1f-3 0.012765 0.009486 -0.009865 -0.029857 -0.002627 -0.020473 9C 1s -0.004604 -0.019014 0.023646 -0.000458 0.033041 -0.012518 9C 2s -0.016672 -0.060251 0.074747 -0.001528 0.103281 -0.039128 9C 3s 0.076599 0.565509 -0.738833 0.052134 -1.010960 0.479928 9C 4s 0.207760 -1.310754 1.900041 -0.221460 2.432682 -1.722419 9C 5s -0.086076 2.671530 -2.031851 -0.375374 -3.046745 -0.985555 9C 1pz -0.140216 0.143777 0.063618 -0.003321 -0.198129 0.012453 9C 1px 0.218275 -0.012080 0.077712 -0.021966 0.117764 -0.034470 9C 1py 0.025390 -0.150334 -0.178638 0.092889 0.035222 -0.025763 9C 2pz 0.169569 -0.431486 -0.294532 0.110272 0.603615 0.378158 9C 2px -0.397871 -0.095852 -0.130134 0.023883 -0.066546 0.034956 9C 2py -0.139087 0.382487 0.466633 -0.195443 0.031682 0.395940 9C 3pz -0.090396 0.039968 -0.061810 0.171253 -0.265924 0.514912 9C 3px 0.417035 -0.154170 0.255076 0.012744 0.209564 -0.343786 9C 3py 0.081213 -0.189720 -0.205750 0.079490 -0.053667 0.287737 9C 1dz2 -0.016522 0.015824 -0.004913 -0.002923 -0.023586 -0.005661 9C 1dxz 0.024561 -0.008472 -0.002001 -0.005131 0.015099 0.006073 9C 1dyz 0.004789 0.002091 -0.008779 0.004755 -0.005166 -0.000502 9C 1dx2y2 0.008397 -0.005197 0.007781 -0.001873 0.006888 -0.002144 9C 1dxy 0.021505 -0.002222 0.008677 -0.003319 0.012767 0.002745 9C 2dz2 0.125169 -0.186803 -0.049787 0.026995 0.079346 -0.106922 9C 2dxz -0.402695 -0.022013 -0.213971 0.099217 -0.306853 -0.217654 9C 2dyz 0.093725 0.006026 0.070309 0.001643 -0.063886 -0.018291 9C 2dx2y2 0.185771 -0.188878 -0.182160 0.042152 0.217041 0.150570 9C 2dxy -0.286706 0.311619 0.150491 -0.050934 -0.329854 0.042337 9C 1f0 -0.028266 0.027677 0.012805 -0.006851 -0.035565 0.002353 9C 1f+1 0.003885 -0.012110 0.003122 0.002319 0.011792 -0.011856 9C 1f-1 -0.015280 -0.013470 0.002249 0.008866 0.005696 0.023400 9C 1f+2 0.024777 -0.004425 0.016960 -0.009779 0.032046 -0.003401 9C 1f-2 -0.001409 0.012220 -0.008067 0.002609 -0.024277 0.020253 9C 1f+3 0.006251 -0.014315 0.034631 -0.004730 0.041827 -0.004260 9C 1f-3 -0.017726 -0.005601 0.003954 0.001796 0.001098 -0.023942 10H 1s 0.012865 0.005679 -0.011960 -0.005544 -0.002190 0.025255 10H 2s -0.602247 0.270163 -0.242764 -0.060096 0.768328 -0.103078 10H 3s 0.312143 -0.615530 0.710703 -0.015479 -0.949545 -0.436528 10H 1pz -0.070725 0.047704 -0.039728 -0.011284 0.106608 -0.020591 10H 1px 0.095322 -0.047746 0.048941 0.007381 -0.123438 -0.035914 10H 1py -0.099706 0.044611 -0.034210 -0.018966 0.099094 -0.040566 11H 1s 0.032482 0.005446 0.005050 0.012143 -0.009748 -0.021331 11H 2s 0.105249 0.561500 0.258106 0.096612 0.423958 0.449452 11H 3s -0.072346 -0.752877 0.131648 -0.074484 -0.828454 -0.066548 11H 1pz -0.043067 0.090834 0.011012 0.007198 0.117899 0.065803 11H 1px 0.065263 0.046238 0.005555 0.018448 0.025620 0.036637 11H 1py 0.019387 -0.059014 -0.012179 -0.018052 -0.051713 0.000956 12H 1s 0.028725 -0.002448 0.003210 0.001465 -0.018953 -0.007240 12H 2s 0.364681 -0.397448 -0.626530 -0.211649 -0.025309 0.144016 12H 3s -0.138056 -0.239615 0.698925 0.060299 -0.609684 -0.009176 12H 1pz -0.026740 0.011685 0.017583 0.005523 0.020556 -0.000891 12H 1px -0.024299 0.027222 -0.043650 -0.011237 0.063750 -0.052700 12H 1py 0.078791 -0.048587 -0.115664 -0.033462 0.008143 0.056465 13H 1s 0.014928 0.005671 -0.008946 -0.002537 0.008301 -0.007513 13H 2s -0.023834 0.342228 -0.033341 -0.261412 -0.153486 0.106560 13H 3s -0.346162 -0.689545 0.534799 -0.194419 -0.022249 0.368691 13H 1pz 0.027221 0.081560 -0.038816 -0.083156 0.002518 0.023979 13H 1px -0.010389 -0.023635 0.007575 -0.015717 0.020923 0.053058 13H 1py 0.008631 -0.035305 0.014749 0.003511 0.009343 -0.012408 14H 1s -0.006849 0.001574 -0.007566 0.021561 0.003844 -0.000752 14H 2s 0.309981 0.474995 0.210378 0.625123 -0.280610 -0.284379 14H 3s -0.242277 -0.679247 0.387382 -0.592220 0.049985 0.241674 14H 1pz 0.047473 0.034343 0.028086 0.134680 -0.049357 -0.113594 14H 1px 0.041012 0.093351 -0.013680 0.071509 -0.020020 -0.000005 14H 1py 0.016147 0.003355 0.005156 0.032598 -0.001102 -0.026351 15H 1s -0.009938 -0.004560 -0.008039 0.017351 0.001109 0.034957 15H 2s -0.049276 -0.203449 -0.643017 -0.066410 0.287144 -0.535683 15H 3s 0.017189 -0.150990 0.798169 -0.204100 -0.255300 0.119577 15H 1pz 0.022614 -0.000891 0.066407 -0.007919 -0.029338 0.013697 15H 1px -0.004696 -0.012184 -0.005931 0.080524 -0.014968 -0.057616 15H 1py -0.005488 0.001521 0.104595 0.028554 -0.037643 0.083576 16H 1s -0.009357 -0.010417 -0.002444 0.004439 0.006258 0.063546 16H 2s -0.119704 0.052767 0.026547 0.053562 -0.144023 -0.360849 16H 3s -0.099023 0.038354 -0.102007 0.161007 -0.011871 0.139485 16H 1pz 0.023553 -0.010490 0.000747 -0.001331 -0.008309 -0.045139 16H 1px -0.080113 0.006690 0.027277 -0.009549 -0.114664 0.004515 16H 1py -0.005729 0.032692 0.024614 -0.034803 -0.040964 -0.045600 17H 1s -0.009676 0.012761 0.000063 -0.016706 0.011606 -0.061569 17H 2s -0.043657 -0.121784 -0.009900 0.257495 -0.056726 0.269576 17H 3s 0.038021 0.053706 -0.012941 0.044480 -0.132357 -0.175602 17H 1pz 0.025318 0.013488 -0.009848 -0.090207 0.000274 0.002975 17H 1px -0.013552 -0.024209 0.009812 0.075606 0.027349 -0.054305 17H 1py 0.027356 -0.037355 0.002417 0.047026 0.027389 0.075253 18H 1s -0.010350 0.013080 0.000544 0.017500 -0.011401 -0.059742 18H 2s -0.040144 -0.120140 -0.018294 -0.265939 0.052663 0.254690 18H 3s 0.035740 0.055958 -0.016724 -0.042376 0.137319 -0.172794 18H 1pz -0.020723 -0.015536 0.006924 -0.091869 0.000242 -0.004244 18H 1px 0.011403 0.024822 -0.006661 0.076102 0.026582 0.055679 18H 1py -0.027121 0.037452 -0.000278 0.046922 0.028869 -0.072573 19H 1s -0.011623 -0.008441 -0.003075 -0.006428 -0.007783 0.064574 19H 2s -0.111956 0.046784 0.025909 -0.049970 0.147338 -0.365692 19H 3s -0.104933 0.045979 -0.107330 -0.161426 0.004913 0.131250 19H 1pz -0.024862 0.012059 -0.000556 -0.001909 -0.009336 0.045939 19H 1px 0.087591 -0.011038 -0.027111 -0.007002 -0.111821 -0.007672 19H 1py 0.005888 -0.030967 -0.025938 -0.034799 -0.042374 0.042633 20H 1s -0.009939 -0.004311 -0.008618 -0.018284 -0.002229 0.034754 20H 2s -0.054696 -0.205977 -0.646011 0.099090 -0.270750 -0.571895 20H 3s 0.008174 -0.147752 0.810616 0.171385 0.261358 0.142163 20H 1pz -0.022862 0.000511 -0.067401 -0.004618 -0.030287 -0.017216 20H 1px 0.006625 0.009907 0.009733 0.078515 -0.017781 0.059556 20H 1py 0.005428 -0.002159 -0.104282 0.034337 -0.035976 -0.087185 21H 1s -0.007364 0.001903 -0.008322 -0.021473 -0.003826 -0.001483 21H 2s 0.309221 0.488102 0.188943 -0.625969 0.297294 -0.276909 21H 3s -0.246255 -0.683199 0.408016 0.565597 -0.051132 0.233600 21H 1pz -0.046244 -0.038510 -0.022792 0.132979 -0.055566 0.115034 21H 1px -0.041653 -0.093813 0.016401 0.069879 -0.019324 -0.002679 21H 1py -0.015479 -0.004589 -0.004325 0.032363 -0.003078 0.025998 22H 1s 0.015198 0.005440 -0.008781 0.003046 -0.007582 -0.008192 22H 2s -0.009505 0.328388 -0.030085 0.269187 0.133015 0.130630 22H 3s -0.359378 -0.687337 0.547002 0.154544 0.023550 0.367850 22H 1pz -0.030722 -0.077839 0.036177 -0.085370 0.006526 -0.029579 22H 1px 0.011538 0.023777 -0.009129 -0.012843 0.021948 -0.053404 22H 1py -0.006659 0.034251 -0.015320 0.005593 0.007167 0.014312 23H 1s 0.029189 -0.002697 0.003469 -0.001653 0.019845 -0.006961 23H 2s 0.365388 -0.409121 -0.639971 0.222219 0.034853 0.133629 23H 3s -0.150323 -0.218019 0.707222 -0.089265 0.610241 0.035778 23H 1pz 0.027244 -0.011798 -0.018443 0.005295 0.020896 0.000433 23H 1px 0.021461 -0.025668 0.041899 -0.013275 0.060287 0.053471 23H 1py -0.076630 0.049505 0.118937 -0.035664 0.009982 -0.050314 24H 1s 0.033071 0.005030 0.004469 -0.011628 0.011244 -0.019795 24H 2s 0.116357 0.555192 0.262137 -0.108156 -0.442333 0.414272 24H 3s -0.085970 -0.737151 0.137552 0.057587 0.840716 -0.022877 24H 1pz 0.039371 -0.088045 -0.011374 0.007687 0.120063 -0.059082 24H 1px -0.062038 -0.048838 -0.004929 0.018927 0.030506 -0.030946 24H 1py -0.017295 0.057209 0.013064 -0.017276 -0.050712 -0.000842 25H 1s 0.013766 0.004692 -0.011714 0.005305 0.001981 0.026424 25H 2s -0.603203 0.271689 -0.235733 0.079830 -0.781130 -0.139787 25H 3s 0.300444 -0.600938 0.713343 -0.011364 0.978632 -0.393234 25H 1pz 0.074062 -0.048802 0.039485 -0.014906 0.110925 0.025888 25H 1px -0.094033 0.046065 -0.048533 0.009771 -0.126603 0.030116 25H 1py 0.094572 -0.041972 0.032261 -0.021166 0.096469 0.043533 26O 1s -0.003492 0.001796 -0.000796 0.003258 0.012072 0.000386 26O 2s -0.008515 0.006681 -0.003766 0.009674 0.030066 0.001962 26O 3s 0.010927 -0.068632 0.063113 -0.046449 -0.060727 -0.035608 26O 4s 0.270998 0.151705 -0.227363 0.101143 -0.449570 0.254431 26O 5s -1.718986 0.947915 -1.710169 -0.022361 2.127368 1.560367 26O 1pz 0.007618 -0.013665 -0.005351 -0.031413 -0.038174 -0.050878 26O 1px -0.038399 0.050900 -0.027612 0.006888 0.058416 -0.062684 26O 1py -0.031382 0.038974 0.025620 -0.000794 0.023117 -0.042463 26O 2pz 0.000813 -0.032052 0.031657 -0.021926 -0.096906 -0.151124 26O 2px -0.056969 -0.154502 0.251199 -0.093846 -0.048381 -0.204505 26O 2py -0.029767 -0.009335 0.175779 -0.018459 -0.041487 -0.151749 26O 3pz 0.854718 -0.405924 0.299407 0.121584 -0.415274 -0.006973 26O 3px 1.051163 -0.717951 0.751127 0.235596 -1.132485 -0.306405 26O 3py 0.932984 -0.678836 0.403347 0.156904 -0.748775 -0.193300 26O 1dz2 0.000909 -0.001882 -0.001398 0.000955 0.000586 0.003403 26O 1dxz 0.008575 -0.004635 0.000997 0.001423 -0.004471 -0.003086 26O 1dyz 0.005483 -0.003719 0.001782 0.002322 -0.000954 0.002300 26O 1dx2y2 -0.001163 -0.000442 -0.003163 -0.000996 -0.001109 -0.001180 26O 1dxy 0.005060 -0.000150 0.004703 0.003925 -0.001054 -0.001443 26O 2dz2 0.004015 -0.102724 0.108022 0.016888 -0.131570 0.013865 26O 2dxz 0.043727 0.028522 -0.051762 -0.027413 0.084693 0.045728 26O 2dyz -0.018803 -0.014006 -0.000613 0.030197 -0.112573 0.007063 26O 2dx2y2 -0.137279 0.050474 -0.050533 0.004501 0.047782 -0.038637 26O 2dxy -0.102402 0.074955 -0.043783 -0.019687 0.084080 0.025361 26O 1f0 -0.002986 0.004765 -0.000555 0.000252 0.004020 0.002407 26O 1f+1 -0.005772 0.010160 -0.009757 -0.000374 0.011741 -0.001959 26O 1f-1 -0.003162 0.003718 -0.006807 -0.001152 0.003540 -0.001850 26O 1f+2 0.003559 -0.008414 0.002287 -0.001586 -0.006565 -0.003858 26O 1f-2 0.001817 -0.001915 -0.001260 -0.002636 -0.001915 -0.001432 26O 1f+3 -0.001468 0.009797 0.003379 0.002653 0.006821 -0.000934 26O 1f-3 -0.008431 0.009888 -0.012918 0.000582 0.013276 -0.002774 27O 1s -0.002458 -0.000131 0.001681 -0.007258 -0.001113 0.003240 27O 2s -0.004894 0.001879 0.001232 -0.016054 -0.003452 0.006697 27O 3s -0.038581 -0.070548 0.082812 -0.044037 0.012519 0.043218 27O 4s 0.345135 0.331728 -0.466720 0.630063 -0.050649 -0.535594 27O 5s 1.489139 1.307736 -0.916579 0.947966 0.642838 -1.773735 27O 1pz -0.021633 -0.014821 -0.022557 0.025902 0.012045 -0.022283 27O 1px -0.025273 0.023769 -0.036175 -0.028586 0.007749 0.092932 27O 1py -0.017741 -0.010270 0.005596 -0.056183 -0.014294 -0.037376 27O 2pz -0.022391 -0.020699 -0.064153 0.037240 0.009560 0.037247 27O 2px -0.319402 -0.287289 0.339817 -0.521590 -0.002714 0.454445 27O 2py 0.094057 0.042472 -0.097495 0.033718 0.009392 -0.203806 27O 3pz -0.132355 -0.170867 0.151398 0.430077 -0.106001 -0.098649 27O 3px -0.611440 -0.958101 0.681572 0.287229 -0.503307 0.250360 27O 3py 0.207905 0.612933 -0.248501 -0.612990 0.208532 0.105096 27O 1dz2 0.000383 0.001334 -0.001239 -0.000183 0.002826 -0.001604 27O 1dxz -0.003686 -0.003713 -0.001516 0.001992 -0.000759 -0.001834 27O 1dyz -0.000033 0.000246 -0.000009 0.001454 0.000929 0.005627 27O 1dx2y2 -0.004445 -0.002160 -0.000258 -0.002480 0.001514 0.005017 27O 1dxy 0.001504 0.001369 -0.003531 -0.006285 0.003020 -0.001178 27O 2dz2 0.042608 -0.058997 0.041255 0.008719 -0.037279 0.101836 27O 2dxz 0.001125 -0.018720 -0.005926 -0.002329 0.051207 -0.025901 27O 2dyz -0.019524 0.059960 -0.044190 0.063425 0.079015 -0.024361 27O 2dx2y2 0.124600 0.115175 -0.151622 0.051358 0.026530 -0.006331 27O 2dxy -0.048622 -0.065974 0.071090 -0.036283 -0.023247 0.025632 27O 1f0 0.001524 0.002878 0.005007 -0.001291 -0.001920 -0.000744 27O 1f+1 0.005380 0.009992 -0.008951 0.004935 0.000677 0.000617 27O 1f-1 -0.002436 -0.000031 0.002502 0.000346 0.000417 -0.001236 27O 1f+2 -0.000516 -0.003947 -0.005182 -0.002180 0.001508 -0.001707 27O 1f-2 -0.001588 -0.001035 0.005697 0.000572 -0.003812 -0.000048 27O 1f+3 0.004964 0.014184 -0.010136 0.009504 0.001743 0.002759 27O 1f-3 -0.002859 -0.005208 0.011360 -0.000788 -0.003500 0.002443 28O 1s 0.004299 -0.004336 0.003630 -0.002589 -0.005461 -0.001322 28O 2s 0.013391 -0.009248 0.006771 -0.007653 -0.012170 -0.000843 28O 3s -0.082371 -0.038104 0.064511 0.032101 -0.039299 -0.082789 28O 4s 0.013805 0.468400 -0.541458 -0.074785 0.512052 0.539831 28O 5s 0.778912 0.102887 -1.189799 0.321885 0.900615 2.729233 28O 1pz 0.073513 -0.004158 0.002488 0.023655 0.013783 -0.037543 28O 1px -0.092255 0.009101 -0.004978 -0.001914 0.045267 0.033613 28O 1py 0.021955 0.018671 -0.004252 0.029870 0.025870 -0.003346 28O 2pz 0.013475 -0.199957 0.256032 0.040922 -0.290084 -0.401014 28O 2px 0.030744 0.233750 -0.317811 -0.033321 0.403090 0.368875 28O 2py 0.031805 -0.005484 0.063365 0.035848 -0.012587 -0.092628 28O 3pz -1.384218 0.165635 0.517611 -0.383325 0.707364 -0.995332 28O 3px 0.617421 0.088883 -0.503923 0.232450 0.169488 0.663156 28O 3py -0.578253 0.200898 0.165837 -0.127099 0.479313 -0.292412 28O 1dz2 -0.007277 0.001186 -0.000829 -0.002053 0.004745 -0.004034 28O 1dxz 0.001135 0.000317 -0.002290 0.001140 -0.000164 0.007204 28O 1dyz -0.005762 0.003523 -0.000039 -0.002166 0.002869 0.000854 28O 1dx2y2 0.003034 -0.001517 0.002071 0.001672 -0.003863 -0.000346 28O 1dxy 0.000947 -0.003079 -0.002543 -0.001619 -0.003889 0.003514 28O 2dz2 0.009043 0.028963 -0.039261 0.026441 -0.017899 0.002275 28O 2dxz -0.134471 -0.063674 0.097146 -0.052583 -0.091751 -0.171024 28O 2dyz 0.012810 -0.046929 0.041952 -0.051014 -0.070114 0.036810 28O 2dx2y2 0.127436 -0.002087 -0.070612 -0.050239 -0.000302 0.107614 28O 2dxy -0.032220 -0.065195 0.079453 -0.041400 -0.045146 0.010903 28O 1f0 0.007328 0.002804 -0.006359 0.000307 0.003670 0.004832 28O 1f+1 0.011525 0.006949 -0.002359 0.002439 0.004566 0.008674 28O 1f-1 0.002209 0.001628 -0.000292 0.002249 0.001385 -0.000138 28O 1f+2 -0.017062 -0.005097 0.009913 -0.002371 -0.008806 -0.007979 28O 1f-2 0.003516 -0.003780 -0.005483 -0.003010 -0.000512 0.000833 28O 1f+3 -0.006533 -0.002455 0.004800 0.000545 -0.004459 -0.003482 28O 1f-3 0.004501 -0.002349 -0.007010 0.000337 -0.002443 0.002040 29O 1s 0.002481 0.003394 -0.003284 0.003080 -0.003593 0.000821 29O 2s 0.005955 0.009978 -0.009818 0.007320 -0.008557 0.001920 29O 3s 0.002153 -0.039604 0.041432 -0.002019 0.001635 0.001559 29O 4s -0.155552 0.003081 -0.022955 -0.129089 0.174681 -0.057502 29O 5s 0.353099 -0.021792 0.088100 0.240879 -0.395257 0.158076 29O 1pz -0.022611 -0.011200 0.012859 0.011840 0.012919 0.010599 29O 1px 0.016377 0.039545 -0.045873 0.007795 0.003088 0.006364 29O 1py -0.024402 0.005506 0.000265 -0.026117 0.022978 -0.018482 29O 2pz 0.022432 0.008031 0.010757 -0.030752 0.013387 -0.146245 29O 2px 0.010372 0.022298 -0.012619 0.005464 -0.013517 -0.053209 29O 2py 0.027285 -0.003571 0.001831 -0.007880 0.003594 0.021815 29O 3pz -0.150257 0.136516 -0.005301 0.030877 -0.224681 -0.046057 29O 3px -0.040127 -0.015285 0.067700 -0.364192 0.261976 -0.002207 29O 3py -0.148848 -0.042745 -0.015586 0.225429 -0.130453 -0.060084 29O 1dz2 0.000561 0.000839 0.000124 -0.003574 -0.000816 0.000179 29O 1dxz 0.002295 -0.000676 -0.000931 0.001208 0.005109 0.001330 29O 1dyz 0.000248 -0.000621 -0.000252 0.001733 0.000539 -0.000684 29O 1dx2y2 -0.000818 -0.000697 0.000636 0.003056 0.000098 0.000129 29O 1dxy 0.000868 -0.000109 0.000295 -0.002200 0.001522 0.000078 29O 2dz2 0.024340 -0.017469 0.030291 -0.069903 -0.001987 0.080639 29O 2dxz -0.028383 0.009800 -0.028673 -0.011019 0.120877 -0.043788 29O 2dyz -0.011312 -0.049618 -0.019592 0.092894 0.032676 0.174352 29O 2dx2y2 -0.001239 -0.009116 0.008288 0.053720 -0.010801 0.012996 29O 2dxy 0.017878 0.010505 -0.034396 -0.012002 0.044615 0.055781 29O 1f0 0.000819 -0.000572 0.001006 0.000914 -0.001886 -0.000578 29O 1f+1 -0.000757 0.001022 -0.000617 -0.001585 -0.000117 -0.001707 29O 1f-1 0.001494 0.001352 -0.000118 -0.001286 -0.000872 -0.005626 29O 1f+2 0.000007 0.000246 -0.001310 0.000251 0.001836 0.003170 29O 1f-2 0.001018 -0.001305 -0.000164 0.003363 -0.000772 0.007807 29O 1f+3 0.000230 0.001055 -0.001090 -0.001565 0.000149 -0.002490 29O 1f-3 -0.001274 0.000765 -0.000172 0.000129 -0.000762 -0.004151 30O 1s 0.000403 -0.002056 0.001327 0.011996 0.001430 -0.002139 30O 2s 0.001914 -0.003545 0.001147 0.030614 0.005279 -0.006950 30O 3s -0.032968 -0.048410 0.056666 -0.077416 -0.047000 0.061132 30O 4s 0.158413 0.378224 -0.355393 -0.339694 0.206619 -0.191981 30O 5s 1.192136 0.886645 -0.055124 2.053294 0.060007 -2.372876 30O 1pz -0.001611 -0.013767 -0.018531 0.015438 -0.021020 0.038894 30O 1px -0.000162 0.003549 0.021145 -0.080679 -0.020532 0.009441 30O 1py 0.044111 0.003611 -0.005889 0.001040 0.011143 -0.037525 30O 2pz -0.119140 -0.181025 0.076034 -0.075810 -0.083174 0.155495 30O 2px 0.105115 0.213751 -0.136377 -0.008086 0.096019 -0.116974 30O 2py 0.143455 0.154151 -0.120124 0.095715 0.089746 -0.212787 30O 3pz -0.125500 -0.221443 0.123387 -0.891668 0.189740 0.753175 30O 3px 0.254138 0.240373 -0.185798 0.678025 -0.074871 -0.504701 30O 3py 0.287912 0.139135 -0.146699 1.074680 -0.266470 -0.968625 30O 1dz2 0.001152 -0.002222 -0.002136 -0.002239 0.000779 0.002627 30O 1dxz 0.000778 0.002355 0.002002 0.001921 0.000617 -0.001386 30O 1dyz 0.000832 -0.000386 0.000383 0.001676 -0.003676 -0.004896 30O 1dx2y2 0.002725 -0.002008 -0.000308 0.003214 -0.000832 -0.004998 30O 1dxy -0.002397 0.000022 0.000526 -0.002047 0.000660 0.005461 30O 2dz2 -0.025133 0.022400 -0.046241 0.063105 -0.007825 -0.020940 30O 2dxz -0.066391 -0.054006 0.041325 -0.112130 -0.008382 0.009929 30O 2dyz 0.010801 -0.009530 -0.013825 0.018452 -0.009910 0.116113 30O 2dx2y2 -0.037665 -0.023661 0.035108 -0.028511 0.007115 -0.077678 30O 2dxy 0.003707 0.078755 -0.076208 0.166230 -0.037559 -0.086144 30O 1f0 0.000039 0.002691 -0.003042 0.007209 0.001634 -0.002031 30O 1f+1 0.003196 0.007042 0.002861 0.007678 -0.002536 -0.001983 30O 1f-1 0.002970 0.001565 0.002941 0.001501 0.000657 0.000538 30O 1f+2 -0.001760 -0.005248 0.001631 -0.005490 0.001698 0.000252 30O 1f-2 -0.003017 -0.007624 0.005550 -0.013694 -0.001077 0.005927 30O 1f+3 0.002418 0.000443 -0.005758 0.005244 0.001702 -0.005156 30O 1f-3 -0.002511 -0.004074 0.008376 -0.010537 -0.001521 0.004927 31O 1s 0.000084 -0.001832 0.000921 -0.012096 -0.001278 -0.002653 31O 2s 0.001088 -0.002969 0.000122 -0.030742 -0.004829 -0.008290 31O 3s -0.031556 -0.049503 0.059177 0.073892 0.044340 0.064589 31O 4s 0.170148 0.369619 -0.342944 0.365097 -0.203371 -0.179468 31O 5s 1.183853 0.906039 -0.128610 -1.992760 0.046219 -2.440319 31O 1pz 0.001562 0.013368 0.019030 0.016273 -0.020663 -0.039856 31O 1px -0.001936 -0.001330 -0.024098 -0.080247 -0.019459 -0.013416 31O 1py -0.042937 -0.004211 0.005599 -0.000434 0.009651 0.038289 31O 2pz 0.122904 0.178635 -0.079101 -0.066597 -0.078488 -0.157313 31O 2px -0.111900 -0.208832 0.135641 -0.019278 0.093118 0.114088 31O 2py -0.145297 -0.153396 0.123120 0.083549 0.082095 0.216164 31O 3pz 0.104860 0.246476 -0.157654 -0.870284 0.227370 -0.780685 31O 3px -0.247162 -0.254266 0.213452 0.660689 -0.098505 0.527518 31O 3py -0.260325 -0.170582 0.192041 1.051829 -0.318874 1.006743 31O 1dz2 0.001181 -0.002242 -0.002044 0.002217 -0.000817 0.002630 31O 1dxz 0.000834 0.002318 0.001903 -0.001897 -0.000585 -0.001442 31O 1dyz 0.000730 -0.000268 0.000299 -0.001655 0.003969 -0.004948 31O 1dx2y2 0.002590 -0.001876 -0.000435 -0.003194 0.001208 -0.005229 31O 1dxy -0.002280 -0.000058 0.000626 0.001866 -0.000918 0.005562 31O 2dz2 -0.024262 0.022402 -0.048087 -0.060618 0.006844 -0.021447 31O 2dxz -0.066810 -0.054838 0.045953 0.110535 0.005682 0.012923 31O 2dyz 0.013538 -0.010995 -0.014899 -0.020973 0.005661 0.116787 31O 2dx2y2 -0.039431 -0.022300 0.036171 0.029034 -0.003971 -0.077617 31O 2dxy 0.003231 0.080114 -0.083322 -0.160963 0.039399 -0.088977 31O 1f0 -0.000001 -0.002737 0.003326 0.007028 0.001535 0.002195 31O 1f+1 -0.003223 -0.007115 -0.002602 0.007710 -0.002615 0.001915 31O 1f-1 -0.003050 -0.001495 -0.002862 0.001629 0.000630 -0.000577 31O 1f+2 0.001843 0.005257 -0.001858 -0.005441 0.001715 -0.000249 31O 1f-2 0.002925 0.007806 -0.006070 -0.013356 -0.000782 -0.006244 31O 1f+3 -0.002307 -0.000555 0.005949 0.004923 0.001446 0.005482 31O 1f-3 0.002479 0.004143 -0.008824 -0.010140 -0.001290 -0.005321 32O 1s 0.002275 0.003609 -0.003436 -0.002941 0.003560 0.000778 32O 2s 0.005415 0.010526 -0.010190 -0.006931 0.008434 0.001879 32O 3s 0.003613 -0.040771 0.041860 0.000928 -0.000607 0.000023 32O 4s -0.149127 -0.005146 -0.017701 0.126362 -0.178045 -0.049252 32O 5s 0.319883 0.013742 0.075135 -0.236880 0.401371 0.149829 32O 1pz 0.021522 0.011669 -0.011984 0.012779 0.012907 -0.010510 32O 1px -0.017106 -0.039248 0.046327 0.005900 0.003268 -0.005721 32O 1py 0.023723 -0.004958 -0.001527 -0.026422 0.022594 0.017993 32O 2pz -0.025735 -0.004933 -0.011909 -0.033329 0.010200 0.145930 32O 2px -0.009024 -0.023447 0.013366 0.003992 -0.014414 0.051509 32O 2py -0.029866 0.005131 -0.002792 -0.009204 0.002979 -0.016512 32O 3pz 0.157887 -0.146314 0.005444 0.024292 -0.215797 0.044286 32O 3px 0.025862 0.033343 -0.083345 -0.365172 0.263970 -0.010950 32O 3py 0.151888 0.037169 0.024036 0.227837 -0.130967 0.068767 32O 1dz2 0.000450 0.000881 0.000251 0.003588 0.000763 0.000392 32O 1dxz 0.002450 -0.000789 -0.000970 -0.001241 -0.005073 0.001175 32O 1dyz 0.000298 -0.000597 -0.000305 -0.001657 -0.000549 -0.000763 32O 1dx2y2 -0.000809 -0.000743 0.000504 -0.003105 -0.000088 0.000113 32O 1dxy 0.000946 -0.000226 0.000355 0.002174 -0.001574 0.000163 32O 2dz2 0.019846 -0.013754 0.032583 0.070575 0.001896 0.080153 32O 2dxz -0.025891 0.007746 -0.027499 0.013801 -0.120265 -0.047812 32O 2dyz -0.009947 -0.048525 -0.021940 -0.094818 -0.036958 0.174030 32O 2dx2y2 -0.000596 -0.010048 0.006868 -0.051679 0.011151 0.008611 32O 2dxy 0.020259 0.010071 -0.033541 0.013368 -0.046529 0.050501 32O 1f0 -0.000856 0.000789 -0.001009 0.000947 -0.001913 0.000406 32O 1f+1 0.000902 -0.001138 0.000573 -0.001726 -0.000051 0.001803 32O 1f-1 -0.001755 -0.001149 0.000026 -0.001444 -0.001061 0.005653 32O 1f+2 0.000218 -0.000373 0.001318 0.000322 0.001935 -0.003139 32O 1f-2 -0.001032 0.001290 0.000267 0.003500 -0.000696 -0.007685 32O 1f+3 -0.000188 -0.001108 0.001053 -0.001526 0.000154 0.002066 32O 1f-3 0.001291 -0.000808 0.000156 0.000047 -0.000804 0.004165 33O 1s 0.004549 -0.004448 0.003683 0.002421 0.005686 -0.001240 33O 2s 0.014166 -0.009654 0.006967 0.007256 0.012707 -0.000573 33O 3s -0.087752 -0.033816 0.063276 -0.032263 0.040015 -0.083221 33O 4s 0.028155 0.451353 -0.536144 0.086135 -0.533047 0.540593 33O 5s 0.853609 0.046824 -1.208494 -0.361267 -0.960860 2.651206 33O 1pz -0.072358 0.003298 -0.001419 0.023231 0.010832 0.039738 33O 1px 0.092475 -0.008733 0.004433 -0.001692 0.047760 -0.032968 33O 1py -0.021703 -0.018655 0.005413 0.029663 0.025707 0.004625 33O 2pz 0.001357 0.185416 -0.254873 0.041848 -0.303345 0.392931 33O 2px -0.045974 -0.219138 0.315919 -0.037337 0.415003 -0.360265 33O 2py -0.028219 0.002509 -0.062889 0.035887 -0.015820 0.092125 33O 3pz 1.383410 -0.154645 -0.535696 -0.402416 0.703033 0.985339 33O 3px -0.632829 -0.081560 0.518316 0.236190 0.176748 -0.628591 33O 3py 0.574820 -0.193613 -0.172935 -0.137108 0.486007 0.304330 33O 1dz2 -0.007170 0.001100 -0.000753 0.002245 -0.004690 -0.004069 33O 1dxz 0.001247 0.000251 -0.002324 -0.001285 -0.000017 0.007137 33O 1dyz -0.005664 0.003427 0.000032 0.002254 -0.003100 0.000843 33O 1dx2y2 0.002988 -0.001452 0.002013 -0.001772 0.003959 -0.000227 33O 1dxy 0.000980 -0.003119 -0.002496 0.001551 0.003894 0.003662 33O 2dz2 0.009445 0.028099 -0.039477 -0.024727 0.016461 0.003400 33O 2dxz -0.139957 -0.059232 0.099732 0.053501 0.093634 -0.164180 33O 2dyz 0.011123 -0.044832 0.044620 0.047389 0.070149 0.043521 33O 2dx2y2 0.129288 -0.003880 -0.069525 0.048421 -0.001310 0.108677 33O 2dxy -0.034893 -0.062491 0.082948 0.037987 0.046129 0.016286 33O 1f0 -0.007626 -0.002580 0.006365 0.000194 0.003685 -0.004608 33O 1f+1 -0.011835 -0.006714 0.002388 0.002563 0.004733 -0.008353 33O 1f-1 -0.002174 -0.001660 0.000332 0.002223 0.001372 0.000220 33O 1f+2 0.017592 0.004679 -0.010064 -0.002280 -0.008741 0.007523 33O 1f-2 -0.003675 0.003869 0.005404 -0.003097 -0.000611 -0.000953 33O 1f+3 0.006806 0.002243 -0.004825 0.000601 -0.004449 0.003273 33O 1f-3 -0.004680 0.002491 0.007129 0.000203 -0.002517 -0.002111 34O 1s -0.002031 -0.000452 0.001958 0.007179 0.000919 0.003661 34O 2s -0.003800 0.001102 0.001844 0.016022 0.002977 0.007681 34O 3s -0.040927 -0.070140 0.084504 0.039161 -0.012749 0.043796 34O 4s 0.331166 0.349501 -0.490938 -0.600369 0.069775 -0.562119 34O 5s 1.535374 1.292994 -0.950934 -0.854337 -0.589319 -1.799886 34O 1pz 0.023245 0.013602 0.023470 0.024791 0.012005 0.024129 34O 1px 0.023921 -0.022166 0.035150 -0.028191 0.012939 -0.094706 34O 1py 0.016354 0.011560 -0.007966 -0.057418 -0.015327 0.035696 34O 2pz 0.024738 0.019204 0.065624 0.035937 0.011989 -0.034619 34O 2px 0.317744 0.295900 -0.359837 -0.498052 0.013953 -0.472305 34O 2py -0.095676 -0.042735 0.098875 0.025352 0.001111 0.206853 34O 3pz 0.137793 0.163187 -0.134056 0.440189 -0.119459 0.116832 34O 3px 0.650454 0.927445 -0.670266 0.335615 -0.518172 -0.229035 34O 3py -0.226991 -0.597164 0.226034 -0.635832 0.232499 -0.135893 34O 1dz2 0.000472 0.001268 -0.001256 0.000295 -0.002833 -0.001728 34O 1dxz -0.003800 -0.003654 -0.001611 -0.001937 0.000826 -0.002019 34O 1dyz -0.000059 0.000253 -0.000032 -0.001589 -0.001129 0.005608 34O 1dx2y2 -0.004471 -0.002215 -0.000164 0.002392 -0.001759 0.004968 34O 1dxy 0.001567 0.001308 -0.003294 0.006522 -0.003074 -0.001137 34O 2dz2 0.039902 -0.056781 0.041794 -0.013937 0.038128 0.105053 34O 2dxz 0.001000 -0.019054 -0.005695 0.002764 -0.049477 -0.028521 34O 2dyz -0.017635 0.059117 -0.046318 -0.061001 -0.079715 -0.026739 34O 2dx2y2 0.128358 0.113688 -0.153443 -0.044875 -0.027690 -0.004426 34O 2dxy -0.049481 -0.066779 0.071440 0.032692 0.022825 0.025750 34O 1f0 -0.001578 -0.002867 -0.005084 -0.001153 -0.001982 0.000501 34O 1f+1 -0.005656 -0.009888 0.009140 0.004515 0.000907 -0.000659 34O 1f-1 0.002436 0.000019 -0.002507 0.000409 0.000371 0.001216 34O 1f+2 0.000576 0.003917 0.005137 -0.002341 0.001448 0.001815 34O 1f-2 0.001573 0.001037 -0.005671 0.000817 -0.003866 -0.000092 34O 1f+3 -0.005270 -0.014108 0.010475 0.009052 0.002121 -0.002779 34O 1f-3 0.003081 0.005107 -0.011383 -0.000206 -0.003606 -0.002580 35O 1s -0.003565 0.001803 -0.000870 -0.003181 -0.012167 -0.000087 35O 2s -0.008708 0.006685 -0.004021 -0.009402 -0.030346 0.000709 35O 3s 0.010446 -0.067554 0.065190 0.043835 0.062733 -0.031282 35O 4s 0.274386 0.148733 -0.235856 -0.097984 0.445888 0.259796 35O 5s -1.652804 0.891552 -1.715158 0.056019 -2.235713 1.471097 35O 1pz -0.008502 0.014174 0.005135 -0.032455 -0.039326 0.049257 35O 1px 0.037015 -0.049327 0.027734 0.003084 0.057629 0.064082 35O 1py 0.029480 -0.037956 -0.026056 -0.001935 0.022535 0.043052 35O 2pz 0.000556 0.030379 -0.032568 -0.024360 -0.101753 0.145670 35O 2px 0.065253 0.148526 -0.258071 -0.089003 -0.057263 0.191601 35O 2py 0.032686 0.005831 -0.179448 -0.016540 -0.046222 0.145205 35O 3pz -0.853130 0.401104 -0.288663 0.141033 -0.436883 0.015894 35O 3px -1.018448 0.682753 -0.741559 0.267442 -1.171986 0.278498 35O 3py -0.918674 0.663381 -0.391336 0.182039 -0.785189 0.188441 35O 1dz2 0.000843 -0.001850 -0.001490 -0.001027 -0.000671 0.003295 35O 1dxz 0.008534 -0.004611 0.000846 -0.001461 0.004779 -0.003106 35O 1dyz 0.005359 -0.003619 0.001665 -0.002505 0.001056 0.002165 35O 1dx2y2 -0.001179 -0.000468 -0.003147 0.001166 0.001107 -0.001022 35O 1dxy 0.005056 -0.000082 0.004578 -0.004076 0.001226 -0.001517 35O 2dz2 -0.000341 -0.098556 0.109233 -0.021579 0.133272 0.018635 35O 2dxz 0.047173 0.025197 -0.050959 0.028460 -0.084556 0.043615 35O 2dyz -0.022031 -0.011619 -0.001394 -0.030869 0.111789 0.011753 35O 2dx2y2 -0.137273 0.048921 -0.050940 -0.000508 -0.050637 -0.041791 35O 2dxy -0.101380 0.074061 -0.042996 0.022238 -0.088119 0.022784 35O 1f0 0.002911 -0.004669 0.000524 0.000211 0.004195 -0.002236 35O 1f+1 0.005438 -0.009825 0.009760 -0.000929 0.011935 0.002413 35O 1f-1 0.002917 -0.003467 0.006775 -0.001499 0.003556 0.001906 35O 1f+2 -0.003331 0.008282 -0.002254 -0.001443 -0.006886 0.003758 35O 1f-2 -0.001852 0.001943 0.001177 -0.002673 -0.002030 0.001227 35O 1f+3 0.001307 -0.009721 -0.003361 0.002585 0.007014 0.001319 35O 1f-3 0.008065 -0.009549 0.013002 -0.000126 0.013517 0.003320 312 313 314 315 316 317 1.46660 1.47266 1.47297 1.47948 1.48928 1.49608 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s -0.000709 -0.002172 0.000382 -0.000901 0.000428 -0.000603 0Rh 2s 0.002578 0.007270 -0.001330 0.003669 -0.000520 0.000046 0Rh 3s -0.002571 -0.008268 0.001420 -0.003025 0.002192 -0.003506 0Rh 4s -0.012121 -0.034039 0.006218 -0.017369 0.002120 0.000481 0Rh 5s 0.008507 0.018524 -0.003605 0.015338 0.008142 -0.020662 0Rh 6s 0.043260 0.146308 -0.026816 0.049721 -0.049807 0.088255 0Rh 7s -0.149301 -0.717840 0.166860 0.213974 0.393829 -0.715860 0Rh 8s 0.097543 -0.429274 -0.000383 0.825012 0.008391 0.045274 0Rh 1pz -0.002261 -0.002842 0.005240 0.009825 0.000742 -0.003652 0Rh 1px -0.005666 0.001468 -0.002254 -0.024998 -0.004567 0.005666 0Rh 1py 0.002092 -0.001692 0.003704 -0.001934 0.000985 -0.003532 0Rh 2pz 0.007544 0.009555 -0.017443 -0.033044 -0.002705 0.012794 0Rh 2px 0.018924 -0.005341 0.007800 0.084284 0.016532 -0.021094 0Rh 2py -0.006901 0.005428 -0.012934 0.006134 -0.003737 0.012320 0Rh 3pz 0.001976 0.000170 -0.003349 -0.000011 0.004694 -0.011002 0Rh 3px 0.002990 0.009572 -0.004906 -0.005421 -0.024836 0.043205 0Rh 3py -0.003227 0.006363 0.009589 0.007796 0.008182 -0.008255 0Rh 4pz -0.056287 -0.057017 0.112516 0.195048 -0.004858 -0.028930 0Rh 4px -0.125208 -0.015353 -0.023284 -0.469137 0.004532 -0.052749 0Rh 4py 0.055725 -0.063116 0.039517 -0.067388 -0.006565 -0.044586 0Rh 5pz 0.101472 0.080584 -0.160816 -0.332906 0.026411 0.015204 0Rh 5px 0.223905 0.104834 0.004228 0.772818 -0.062975 0.178383 0Rh 5py -0.098647 0.138856 -0.046378 0.108326 0.010469 0.072220 0Rh 6pz -0.049003 0.243479 -0.422947 1.423389 -0.177398 0.397468 0Rh 6px -1.005751 -1.884224 0.552767 -3.472270 0.672971 -1.232031 0Rh 6py 0.107835 -0.884744 -0.665126 -0.142770 -0.175434 0.434844 0Rh 1dz2 0.004500 -0.006487 -0.000408 -0.001441 -0.017073 -0.000107 0Rh 1dxz -0.003733 -0.005874 -0.006110 0.008987 -0.007729 0.011052 0Rh 1dyz 0.017452 -0.009327 -0.000912 -0.008242 -0.030535 -0.011328 0Rh 1dx2y2 -0.002209 0.003731 0.002396 -0.009115 0.001102 -0.015317 0Rh 1dxy 0.009765 -0.006126 0.010393 0.025626 0.003950 -0.028610 0Rh 2dz2 -0.000479 0.002643 -0.000293 0.000012 0.002284 -0.001338 0Rh 2dxz 0.000649 0.002075 0.001609 -0.000518 0.002150 -0.003293 0Rh 2dyz -0.003466 0.002004 0.000078 0.000975 0.002357 0.000072 0Rh 2dx2y2 -0.000328 -0.003015 -0.000095 0.000918 -0.001490 0.003682 0Rh 2dxy -0.001192 -0.000239 -0.001297 -0.003131 -0.001207 0.002730 0Rh 3dz2 -0.008164 0.003214 0.002240 0.003171 0.029237 0.005958 0Rh 3dxz 0.005603 0.004196 0.007166 -0.018582 0.008517 -0.011210 0Rh 3dyz -0.024918 0.012604 0.001753 0.014766 0.059628 0.025577 0Rh 3dx2y2 0.006564 0.004945 -0.005156 0.017215 0.003901 0.019254 0Rh 3dxy -0.017126 0.015166 -0.018209 -0.045503 -0.003926 0.053886 0Rh 4dz2 -0.011247 0.047575 -0.004945 0.004139 0.048965 -0.016818 0Rh 4dxz 0.015907 0.040850 0.025971 -0.010761 0.036466 -0.055525 0Rh 4dyz -0.064913 0.038167 0.002246 0.020747 0.066160 0.013157 0Rh 4dx2y2 -0.004583 -0.055066 -0.000819 0.013927 -0.020274 0.064819 0Rh 4dxy -0.027176 0.000421 -0.028522 -0.065704 -0.020835 0.068154 0Rh 5dz2 0.036693 -0.259411 0.042188 -0.083023 -0.183420 0.041748 0Rh 5dxz -0.106635 -0.243274 -0.057488 -0.084052 -0.124176 0.193122 0Rh 5dyz 0.251009 -0.172847 -0.007236 -0.075766 -0.278862 -0.059381 0Rh 5dx2y2 0.071622 0.355377 -0.050038 0.123933 0.052806 -0.216305 0Rh 5dxy 0.117559 0.044430 0.111726 0.243425 0.087380 -0.286059 0Rh 1f0 0.002261 0.015232 -0.020155 -0.018199 -0.055544 0.058077 0Rh 1f+1 0.000204 -0.001560 0.005509 0.009791 0.014339 -0.010559 0Rh 1f-1 0.010893 0.008671 -0.003352 -0.011781 -0.030760 0.018140 0Rh 1f+2 -0.015609 -0.026302 -0.016217 0.007959 -0.003443 -0.019106 0Rh 1f-2 -0.014935 0.011602 -0.009720 0.006935 0.008113 0.031849 0Rh 1f+3 0.013532 -0.021654 0.014690 0.005845 0.033768 -0.059733 0Rh 1f-3 0.009011 -0.008275 0.009390 0.033512 0.005838 -0.046160 1Rh 1s 0.000716 0.002169 -0.000350 0.000903 0.000406 -0.000598 1Rh 2s -0.002627 -0.007218 0.001120 -0.003696 -0.000453 0.000044 1Rh 3s 0.002585 0.008282 -0.001363 0.003022 0.002104 -0.003481 1Rh 4s 0.012360 0.033774 -0.005253 0.017501 0.001805 0.000486 1Rh 5s -0.008887 -0.017841 0.002624 -0.015601 0.008264 -0.020536 1Rh 6s -0.043148 -0.147925 0.022625 -0.049457 -0.048242 0.087643 1Rh 7s 0.149360 0.741522 -0.069939 -0.214776 0.380990 -0.710108 1Rh 8s -0.098328 0.406732 -0.125084 -0.826079 -0.004080 0.054673 1Rh 1pz -0.002367 -0.004767 -0.004198 0.009567 -0.000635 0.003650 1Rh 1px -0.005749 0.002195 0.002054 -0.025043 0.004303 -0.005476 1Rh 1py 0.002199 -0.003136 -0.002770 -0.001968 -0.000998 0.003425 1Rh 2pz 0.007888 0.015956 0.013953 -0.032179 0.002335 -0.012772 1Rh 2px 0.019214 -0.007869 -0.006982 0.084448 -0.015638 0.020458 1Rh 2py -0.007274 0.010443 0.009865 0.006251 0.003780 -0.011963 1Rh 3pz 0.002178 0.001558 0.003057 0.000007 -0.004474 0.010658 1Rh 3px 0.002702 0.011364 0.001550 -0.005695 0.024693 -0.043254 1Rh 3py -0.002946 0.003089 -0.011421 0.007725 -0.008144 0.008341 1Rh 4pz -0.059054 -0.098772 -0.090987 0.189910 0.006231 0.030087 1Rh 4px -0.125725 -0.008213 0.034644 -0.469057 -0.009064 0.056593 1Rh 4py 0.056796 -0.079635 -0.012068 -0.067800 0.006157 0.042147 1Rh 5pz 0.105765 0.140453 0.131207 -0.325153 -0.028957 -0.016951 1Rh 5px 0.223997 0.101167 -0.050268 0.772434 0.069463 -0.184258 1Rh 5py -0.099512 0.157067 -0.009405 0.108920 -0.009937 -0.068290 1Rh 6pz -0.042128 0.398253 0.293872 1.442453 0.198773 -0.408662 1Rh 6px -0.991571 -1.969674 0.136840 -3.464040 -0.683518 1.242033 1Rh 6py 0.077561 -0.598799 0.923990 -0.138842 0.179428 -0.434087 1Rh 1dz2 -0.004453 0.005470 -0.002633 0.001444 -0.016981 -0.000266 1Rh 1dxz 0.003836 0.003058 -0.007225 -0.008833 -0.008202 0.011480 1Rh 1dyz -0.017893 0.006849 -0.004227 0.008372 -0.030793 -0.011456 1Rh 1dx2y2 0.002158 -0.002783 0.003249 0.009325 0.001060 -0.015220 1Rh 1dxy -0.010171 0.008688 0.008236 -0.025649 0.003474 -0.028611 1Rh 2dz2 0.000455 -0.002501 0.000597 -0.000006 0.002311 -0.001346 1Rh 2dxz -0.000667 -0.001294 0.002108 0.000504 0.002207 -0.003354 1Rh 2dyz 0.003590 -0.001506 0.000782 -0.000920 0.002429 0.000071 1Rh 2dx2y2 0.000354 0.002826 -0.001021 -0.000919 -0.001510 0.003689 1Rh 2dxy 0.001282 -0.000016 -0.001363 0.003163 -0.001145 0.002736 1Rh 3dz2 0.008156 -0.001503 0.003414 -0.003202 0.028907 0.006359 1Rh 3dxz -0.005761 -0.001091 0.007460 0.018290 0.009364 -0.011937 1Rh 3dyz 0.025392 -0.009096 0.006276 -0.015300 0.059909 0.025879 1Rh 3dx2y2 -0.006561 -0.006300 -0.002955 -0.017690 0.004084 0.019000 1Rh 3dxy 0.017666 -0.019927 -0.012959 0.045418 -0.003095 0.053865 1Rh 4dz2 0.010921 -0.044741 0.011178 -0.004065 0.049335 -0.016837 1Rh 4dxz -0.016240 -0.027698 0.036205 0.010377 0.037692 -0.056759 1Rh 4dyz 0.067011 -0.028626 0.015610 -0.020169 0.067476 0.013234 1Rh 4dx2y2 0.004978 0.051937 -0.017837 -0.014147 -0.020550 0.064878 1Rh 4dxy 0.028840 -0.006723 -0.027905 0.066158 -0.019593 0.068207 1Rh 5dz2 -0.036001 0.251079 -0.047054 0.082530 -0.186047 0.042666 1Rh 5dxz 0.107694 0.202411 -0.128801 0.086366 -0.128100 0.197257 1Rh 5dyz -0.258232 0.134116 -0.067364 0.073914 -0.285392 -0.058977 1Rh 5dx2y2 -0.072714 -0.353154 0.067167 -0.123444 0.053900 -0.216916 1Rh 5dxy -0.124278 -0.016934 0.122831 -0.245181 0.083213 -0.285519 1Rh 1f0 0.001557 0.021445 0.014612 -0.019077 0.055897 -0.059137 1Rh 1f+1 0.000436 -0.003560 -0.004971 0.009434 -0.014197 0.009611 1Rh 1f-1 0.009961 0.006854 0.000428 -0.011813 0.030369 -0.017337 1Rh 1f+2 -0.015324 -0.018996 0.023709 0.008228 0.004506 0.017841 1Rh 1f-2 -0.014323 0.014324 0.004257 0.007801 -0.008291 -0.031649 1Rh 1f+3 0.013620 -0.026428 -0.006630 0.005999 -0.033884 0.059877 1Rh 1f-3 0.009160 -0.012421 -0.006614 0.033126 -0.005037 0.046333 2C 1s -0.009537 -0.019627 0.014819 -0.012199 0.038495 0.027794 2C 2s -0.029399 -0.061932 0.046602 -0.037524 0.119340 0.087803 2C 3s 0.297919 0.678065 -0.493612 0.298905 -1.102957 -0.938306 2C 4s -0.678287 -1.734720 1.243265 -0.505540 2.243166 2.332918 2C 5s 1.015709 -0.109414 -0.622958 2.203022 -5.664076 -4.641112 2C 1pz 0.110327 -0.108255 0.195928 0.059326 0.010216 0.069243 2C 1px 0.093427 -0.119904 0.148971 -0.023316 0.042870 0.070788 2C 1py -0.325720 -0.076126 -0.227879 0.005638 0.015741 0.019550 2C 2pz -0.230552 0.329378 -0.555828 0.131695 -0.447936 -0.127023 2C 2px -0.269997 0.156237 -0.313943 -0.048857 -0.173384 -0.239564 2C 2py 1.009885 0.147553 0.675662 0.106914 -0.306823 -0.092066 2C 3pz 0.080261 -0.495334 0.200040 0.274358 -0.456628 -0.462109 2C 3px 0.075498 -0.274642 0.145308 0.025138 0.033248 0.009583 2C 3py -0.237649 -0.349547 0.056843 0.227201 -0.390122 -0.224831 2C 1dz2 -0.003934 -0.005357 -0.011325 -0.010458 0.004523 -0.014696 2C 1dxz 0.003133 0.014950 -0.008161 0.012688 -0.000004 -0.000766 2C 1dyz 0.007172 0.008816 0.005020 0.000830 -0.000952 -0.000890 2C 1dx2y2 -0.006739 0.004597 -0.012504 -0.006202 0.003346 0.000182 2C 1dxy -0.009837 0.016384 -0.017183 0.006247 0.005051 0.000048 2C 2dz2 0.219291 0.167411 0.020971 0.057106 -0.135931 0.056621 2C 2dxz 0.434409 -0.185564 0.415417 -0.011722 -0.053381 -0.067442 2C 2dyz -0.023525 0.233312 -0.176044 -0.003193 -0.114432 -0.024620 2C 2dx2y2 0.125071 -0.020190 0.126422 -0.024871 0.018351 0.054604 2C 2dxy -0.298167 -0.054815 -0.231595 -0.060069 0.029301 -0.074249 2C 1f0 0.022450 -0.002631 0.023518 0.003658 0.009056 0.016902 2C 1f+1 -0.013804 -0.001765 -0.012579 -0.005738 0.001911 0.003873 2C 1f-1 -0.002447 -0.016201 0.008519 0.017775 -0.006665 0.012478 2C 1f+2 0.027345 0.019857 -0.002669 0.000467 -0.023982 -0.033404 2C 1f-2 0.002459 -0.040428 0.039928 -0.006399 0.030458 0.029385 2C 1f+3 0.032944 0.021309 0.003146 0.012200 -0.037694 -0.035791 2C 1f-3 -0.013133 0.018676 -0.021848 0.004110 -0.003940 -0.000695 3C 1s -0.023508 0.007711 0.010532 0.025858 -0.035077 -0.022082 3C 2s -0.073843 0.024382 0.032790 0.080922 -0.110234 -0.067823 3C 3s 0.817020 -0.252990 -0.353311 -0.767240 1.106855 0.544797 3C 4s -2.144806 0.624075 0.943575 1.744693 -2.551007 -0.804745 3C 5s 0.198738 -0.720760 -0.465934 -1.923477 5.668063 3.108081 3C 1pz -0.023976 0.219275 -0.256086 -0.128362 0.061977 -0.002570 3C 1px -0.078731 0.029224 -0.078229 -0.040882 -0.078428 0.060836 3C 1py 0.187198 0.061772 -0.218620 -0.134479 0.074298 -0.030842 3C 2pz 0.042572 -0.612797 0.768225 0.334236 -0.050986 0.236803 3C 2px 0.094571 -0.252765 0.219223 -0.108062 0.219879 0.043825 3C 2py -0.468085 -0.214996 0.556325 0.507161 -0.325652 -0.339164 3C 3pz -0.305726 0.235220 0.024944 -0.083718 0.407390 0.231888 3C 3px -0.262918 0.018559 -0.102046 0.077991 0.017330 0.229782 3C 3py 0.608512 0.002889 -0.168648 -0.179657 -0.508746 -0.228692 3C 1dz2 -0.011058 -0.010552 0.023701 0.004995 -0.004795 0.008569 3C 1dxz 0.003567 0.004683 0.004274 0.007318 0.000199 0.001230 3C 1dyz -0.005751 0.006607 -0.004070 0.007348 -0.000910 0.004177 3C 1dx2y2 0.003884 0.012851 0.001512 0.010580 -0.007449 0.004878 3C 1dxy -0.012932 -0.006943 0.000201 -0.012117 0.000097 0.000965 3C 2dz2 -0.018703 0.021572 0.086055 0.062529 0.021224 -0.048654 3C 2dxz 0.030208 0.026671 -0.207395 -0.140643 -0.025206 0.111926 3C 2dyz -0.298300 -0.235404 0.310448 0.246490 -0.113647 0.024110 3C 2dx2y2 -0.076925 0.225376 -0.343879 -0.159529 -0.032525 -0.064835 3C 2dxy 0.007819 0.265111 -0.137011 0.019159 0.049199 -0.145504 3C 1f0 -0.001656 0.024668 -0.023984 0.005454 -0.018624 -0.022745 3C 1f+1 0.004338 0.013677 -0.010516 0.003690 -0.010985 -0.006929 3C 1f-1 -0.026607 -0.015389 0.030786 0.028630 -0.026699 -0.004612 3C 1f+2 0.049395 -0.014829 -0.023792 -0.030536 0.037363 0.007927 3C 1f-2 0.034681 -0.009407 -0.006820 -0.007442 0.030424 0.001841 3C 1f+3 -0.005542 0.006165 -0.017477 -0.018260 -0.006763 0.014479 3C 1f-3 -0.014482 -0.002579 0.002059 0.004457 -0.011539 0.005677 4C 1s -0.007786 -0.002981 0.001644 -0.020074 0.026281 0.004658 4C 2s -0.023665 -0.009686 0.005494 -0.061564 0.080103 0.013942 4C 3s 0.253819 0.205424 -0.090717 0.618989 -0.811900 -0.069586 4C 4s -0.895634 -1.183883 0.371611 -1.423558 1.856198 0.402698 4C 5s -0.261719 0.780487 -0.234907 -0.968307 0.576585 0.623051 4C 1pz 0.287193 -0.016443 0.203377 0.072632 -0.132374 0.102820 4C 1px 0.229589 -0.141118 0.205584 -0.046928 -0.099523 0.030655 4C 1py -0.474817 0.055791 -0.368200 -0.019054 0.079225 -0.118998 4C 2pz -0.408108 -0.116591 -0.312330 -0.260758 0.195420 0.218996 4C 2px -0.429105 0.299806 -0.110056 0.057601 0.634793 -0.470529 4C 2py 0.700003 -0.135149 0.700691 0.002777 0.041037 0.271350 4C 3pz 0.257168 -1.479070 0.846108 0.665195 -2.397321 -1.820903 4C 3px 0.013191 0.555880 -0.203626 0.216444 -0.366144 -0.156370 4C 3py -0.373571 -0.670883 -0.388645 0.362139 -1.360341 -1.462195 4C 1dz2 0.016091 0.004958 0.020559 0.002814 0.002768 -0.000014 4C 1dxz 0.005783 0.003790 0.008490 0.003778 -0.004357 0.001550 4C 1dyz -0.006419 0.005095 -0.012652 -0.008389 0.011459 -0.004660 4C 1dx2y2 -0.000434 -0.010929 0.016072 0.005183 -0.004452 0.008923 4C 1dxy -0.000618 -0.001976 0.004644 -0.003872 0.008272 -0.005387 4C 2dz2 -0.014503 0.292826 -0.189408 0.154627 -0.020274 0.197804 4C 2dxz -0.040685 -0.400341 0.304942 -0.280697 0.187743 -0.271578 4C 2dyz -0.056657 0.048875 -0.059971 -0.101377 0.169281 -0.125872 4C 2dx2y2 0.059981 -0.116605 0.152650 -0.038087 -0.046752 -0.089332 4C 2dxy 0.054800 -0.384094 0.343655 -0.259641 0.157053 -0.318680 4C 1f0 0.012253 -0.000191 0.004878 -0.003205 -0.005248 -0.009941 4C 1f+1 0.005609 0.015340 -0.014493 0.024315 -0.033366 0.009419 4C 1f-1 -0.000073 0.000283 0.002411 -0.018620 0.017032 0.032754 4C 1f+2 -0.003968 -0.013467 -0.005844 -0.005875 0.005051 0.006924 4C 1f-2 0.003215 0.012471 0.000715 0.004866 0.018113 0.000915 4C 1f+3 0.004843 -0.005161 0.005262 0.001233 0.006387 0.011616 4C 1f-3 0.005302 0.006463 -0.006663 0.022415 -0.037390 0.004753 5C 1s -0.003352 0.007550 -0.001713 0.019128 -0.013042 -0.025067 5C 2s -0.010585 0.023473 -0.005090 0.059275 -0.039839 -0.076761 5C 3s 0.232960 -0.272701 0.027317 -0.672391 0.360641 0.804171 5C 4s -1.302438 0.968130 -0.059942 1.893527 -0.984151 -1.726357 5C 5s 0.929260 0.130752 0.069463 0.369840 -0.637762 -0.139590 5C 1pz 0.157783 0.349750 -0.466398 -0.239624 0.032772 -0.068557 5C 1px -0.056272 0.021675 -0.036795 -0.133595 0.072565 -0.031245 5C 1py 0.074942 0.215477 -0.289140 -0.163697 0.044613 -0.181492 5C 2pz -0.337461 -0.445484 0.971149 0.491738 0.050146 -0.177891 5C 2px 0.057275 -0.049073 -0.456702 0.378278 -1.040007 0.880872 5C 2py 0.041216 -0.419988 0.293746 0.092158 0.031978 0.472085 5C 3pz -0.776604 0.057033 -0.380566 0.018115 1.591363 0.698365 5C 3px -0.127986 0.634703 -0.077308 0.228257 0.798418 0.506265 5C 3py 1.399015 0.086914 -0.733814 -0.542063 -2.301913 -1.591268 5C 1dz2 0.010127 0.001932 -0.023362 -0.011350 0.002984 0.002982 5C 1dxz 0.007932 -0.006360 -0.005933 -0.005140 0.006942 -0.010778 5C 1dyz -0.004748 -0.003039 0.011820 -0.003361 0.000441 0.015448 5C 1dx2y2 -0.007930 0.009988 -0.016284 -0.003025 0.001500 -0.001049 5C 1dxy -0.005477 0.002438 -0.003182 -0.001268 0.001464 0.001606 5C 2dz2 0.158592 0.174741 -0.077427 -0.034488 0.087849 -0.107086 5C 2dxz -0.029650 -0.246152 -0.186949 -0.232196 -0.187681 0.128705 5C 2dyz -0.132272 -0.186958 -0.066719 -0.241902 -0.194415 0.379840 5C 2dx2y2 -0.255208 -0.245155 -0.008647 -0.052176 -0.141521 0.315476 5C 2dxy 0.209520 0.399392 0.202722 0.300203 0.316658 -0.259318 5C 1f0 0.003935 0.000757 -0.021028 -0.027256 0.010604 0.043942 5C 1f+1 0.011241 -0.007543 0.010897 -0.017995 0.031239 0.003680 5C 1f-1 0.003093 -0.003701 -0.006047 0.006807 -0.002028 0.003072 5C 1f+2 -0.003474 0.001762 0.003855 -0.001198 0.026529 -0.002880 5C 1f-2 -0.017227 0.003185 0.011064 0.004273 0.022042 -0.033323 5C 1f+3 0.017110 -0.003445 0.003006 -0.004488 0.007531 0.007728 5C 1f-3 -0.004052 0.015733 -0.002066 0.032055 -0.011728 -0.025628 6C 1s 0.003235 -0.007475 0.001314 -0.019024 -0.013200 -0.025068 6C 2s 0.010218 -0.023138 0.004293 -0.058956 -0.040326 -0.076705 6C 3s -0.224416 0.265778 -0.082214 0.670518 0.366599 0.801787 6C 4s 1.273732 -0.945500 0.326801 -1.889881 -1.005337 -1.718062 6C 5s -0.972287 -0.190726 0.105804 -0.395139 -0.657618 -0.119495 6C 1pz 0.146027 0.481703 0.334402 -0.230457 -0.037606 0.069107 6C 1px -0.059173 0.031879 0.028741 -0.132324 -0.075231 0.030500 6C 1py 0.066363 0.294701 0.207366 -0.158377 -0.049049 0.182411 6C 2pz -0.309156 -0.730735 -0.787407 0.480688 -0.040191 0.168213 6C 2px 0.052875 0.126699 0.436701 0.364236 1.045682 -0.877243 6C 2py 0.041504 -0.505302 -0.140726 0.081139 -0.027616 -0.463571 6C 3pz -0.772921 0.202474 0.326325 0.056350 -1.588916 -0.709850 6C 3px -0.102631 0.650599 -0.135717 0.253983 -0.794735 -0.510531 6C 3py 1.355985 0.267171 0.707493 -0.575135 2.291498 1.605888 6C 1dz2 -0.009558 -0.009355 -0.021826 0.010925 0.003330 0.002566 6C 1dxz -0.007787 0.003905 -0.007931 0.004958 0.006995 -0.010897 6C 1dyz 0.004745 0.007102 0.010117 0.003691 0.000359 0.015523 6C 1dx2y2 0.008262 -0.014564 -0.012018 0.002657 0.001467 -0.000885 6C 1dxy 0.005623 -0.003081 -0.002153 0.001296 0.001364 0.001830 6C 2dz2 -0.153135 -0.175884 -0.021921 0.032797 0.089921 -0.111510 6C 2dxz 0.044283 0.183429 -0.257911 0.239069 -0.185205 0.123151 6C 2dyz 0.139964 0.152647 -0.123967 0.247565 -0.192543 0.380316 6C 2dx2y2 0.247387 0.197146 -0.079502 0.051581 -0.143081 0.323217 6C 2dxy -0.225034 -0.315819 0.319797 -0.311277 0.313445 -0.255367 6C 1f0 0.003081 0.007245 0.020212 -0.027041 -0.011118 -0.043532 6C 1f+1 0.010875 -0.011528 -0.007130 -0.017726 -0.031222 -0.003872 6C 1f-1 0.003078 -0.001452 0.006786 0.006841 0.002161 -0.003078 6C 1f+2 -0.003298 -0.000040 -0.004284 -0.000920 -0.026604 0.002968 6C 1f-2 -0.016713 -0.000690 -0.011866 0.004727 -0.021957 0.033124 6C 1f+3 0.016764 -0.004831 -0.001104 -0.004207 -0.007598 -0.007415 6C 1f-3 -0.003595 0.015870 -0.003865 0.032174 0.012121 0.025401 7C 1s 0.007517 0.003438 0.000257 0.019606 0.026621 0.004626 7C 2s 0.022820 0.011232 0.001018 0.060132 0.081128 0.013857 7C 3s -0.247958 -0.235072 -0.003859 -0.605918 -0.821739 -0.070148 7C 4s 0.884612 1.273597 -0.078307 1.396716 1.871996 0.413845 7C 5s 0.286094 -0.763352 0.000034 0.986193 0.586547 0.631362 7C 1pz 0.287603 -0.078809 -0.183180 0.065909 0.134250 -0.108159 7C 1px 0.227572 -0.208386 -0.141112 -0.052626 0.101882 -0.032007 7C 1py -0.474624 0.169907 0.319084 -0.009088 -0.079713 0.125382 7C 2pz -0.421475 -0.040453 0.335745 -0.247303 -0.199434 -0.209166 7C 2px -0.417521 0.352546 -0.002771 0.055383 -0.632311 0.458723 7C 2py 0.696994 -0.361153 -0.597465 -0.015768 -0.038682 -0.285082 7C 3pz 0.221688 -1.760087 -0.289611 0.595602 2.421571 1.803451 7C 3px 0.009237 0.613291 0.009042 0.209933 0.355187 0.152766 7C 3py -0.402427 -0.560136 0.588978 0.342374 1.369707 1.472545 7C 1dz2 -0.016298 0.002338 0.020770 -0.002460 0.002885 -0.000158 7C 1dxz -0.005631 -0.000685 0.009130 -0.003455 -0.004331 0.001450 7C 1dyz 0.006586 -0.008365 -0.010313 0.008182 0.011684 -0.004801 7C 1dx2y2 0.000169 0.015561 0.011503 -0.004816 -0.004693 0.009257 7C 1dxy 0.000511 0.003804 0.003594 0.003625 0.008179 -0.005364 7C 2dz2 0.008095 -0.355573 -0.074319 -0.164876 -0.013566 0.193434 7C 2dxz 0.030349 0.466804 0.154229 0.287507 0.178967 -0.265742 7C 2dyz 0.054017 -0.068114 -0.043131 0.097709 0.172675 -0.127123 7C 2dx2y2 -0.048713 0.186300 0.093106 0.046999 -0.049015 -0.087394 7C 2dxy -0.052943 0.493992 0.186700 0.272000 0.150662 -0.314174 7C 1f0 0.012361 -0.001435 -0.004449 -0.003215 0.005754 0.010088 7C 1f+1 0.005554 0.020647 0.007771 0.023980 0.033682 -0.009344 7C 1f-1 -0.000561 -0.001166 -0.001870 -0.018438 -0.017284 -0.032362 7C 1f+2 -0.004377 -0.012133 0.010337 -0.005307 -0.005208 -0.006743 7C 1f-2 0.003532 0.012074 -0.004964 0.005138 -0.018189 -0.000907 7C 1f+3 0.004740 -0.007230 -0.003214 0.001546 -0.006502 -0.011558 7C 1f-3 0.005352 0.008370 0.003158 0.022340 0.037437 -0.004302 8C 1s 0.022878 -0.004670 0.013364 -0.025435 -0.035645 -0.022142 8C 2s 0.071891 -0.014891 0.041745 -0.079591 -0.112012 -0.067945 8C 3s -0.796005 0.154085 -0.445225 0.754495 1.125553 0.545360 8C 4s 2.084769 -0.378034 1.166804 -1.719539 -2.598663 -0.802215 8C 5s -0.161766 0.584633 -0.713171 1.858136 5.719237 3.123909 8C 1pz -0.027244 0.293860 0.172554 -0.122560 -0.064955 0.004838 8C 1px -0.082111 0.053235 0.062139 -0.040934 0.077959 -0.056466 8C 1py 0.181313 0.128014 0.191717 -0.130421 -0.079275 0.032682 8C 2pz 0.057655 -0.826516 -0.531316 0.322090 0.060645 -0.247438 8C 2px 0.102476 -0.304640 -0.117800 -0.109288 -0.219243 -0.058758 8C 2py -0.455264 -0.392204 -0.471600 0.492442 0.340597 0.339495 8C 3pz -0.297646 0.228132 -0.105852 -0.076714 -0.409880 -0.231525 8C 3px -0.269208 0.048827 0.081192 0.077111 -0.017009 -0.223315 8C 3py 0.600675 0.055092 0.171739 -0.185491 0.504699 0.234618 8C 1dz2 0.010775 0.017836 0.019271 -0.004413 -0.004994 0.008720 8C 1dxz -0.003606 -0.003033 0.005453 -0.007047 0.000238 0.001034 8C 1dyz 0.005707 -0.007689 -0.001571 -0.007457 -0.001098 0.004123 8C 1dx2y2 -0.004062 -0.011660 0.005798 -0.010568 -0.007586 0.004936 8C 1dxy 0.013058 0.006463 -0.002030 0.012234 0.000189 0.001097 8C 2dz2 0.015379 0.006064 0.089054 -0.062275 0.018873 -0.048097 8C 2dxz -0.024590 -0.102166 -0.192702 0.142709 -0.018756 0.107972 8C 2dyz 0.291607 0.320154 0.224441 -0.237902 -0.120567 0.023848 8C 2dx2y2 0.086701 -0.320295 -0.248724 0.155100 -0.028036 -0.071773 8C 2dxy -0.007811 -0.295651 -0.046122 -0.021956 0.050700 -0.150901 8C 1f0 -0.002193 0.031011 0.014311 0.005858 0.018731 0.023280 8C 1f+1 0.004934 0.015677 0.005696 0.003447 0.010321 0.006542 8C 1f-1 -0.025438 -0.023952 -0.025139 0.027888 0.027440 0.004487 8C 1f+2 0.047831 -0.008232 0.028368 -0.029935 -0.038226 -0.008060 8C 1f-2 0.034860 -0.007713 0.010847 -0.007711 -0.031626 -0.002319 8C 1f+3 -0.005760 0.011760 0.014864 -0.018457 0.005969 -0.014089 8C 1f-3 -0.014135 -0.002507 -0.001134 0.003891 0.011313 -0.005725 9C 1s 0.009823 0.023709 0.006837 0.012202 0.038492 0.027780 9C 2s 0.030318 0.074780 0.021466 0.037527 0.119296 0.087779 9C 3s -0.309700 -0.812760 -0.222354 -0.301797 -1.100095 -0.939288 9C 4s 0.718608 2.079125 0.553532 0.523750 2.231006 2.338670 9C 5s -1.012225 -0.036660 -0.571578 -2.147746 -5.694722 -4.641257 9C 1pz 0.113050 -0.164460 -0.147675 0.057085 -0.007633 -0.068232 9C 1px 0.096276 -0.163266 -0.100461 -0.027032 -0.043007 -0.069741 9C 1py -0.330282 0.004658 0.236508 0.006721 -0.015341 -0.024680 9C 2pz -0.246345 0.481007 0.407631 0.130564 0.445680 0.122931 9C 2px -0.278610 0.252550 0.244880 -0.042392 0.176952 0.234253 9C 2py 1.015209 -0.095086 -0.675822 0.098716 0.310279 0.103843 9C 3pz 0.074882 -0.550107 -0.025046 0.265725 0.463125 0.466556 9C 3px 0.080129 -0.303517 -0.049407 0.022664 -0.034251 -0.009902 9C 3py -0.247059 -0.359787 0.061377 0.214852 0.398054 0.212469 9C 1dz2 0.004349 0.001856 -0.012649 0.010227 0.004648 -0.014868 9C 1dxz -0.003173 -0.017298 -0.002533 -0.012922 0.000269 -0.000912 9C 1dyz -0.007464 -0.006611 0.007666 -0.000692 -0.000882 -0.001011 9C 1dx2y2 0.006515 -0.008235 -0.009904 0.005919 0.003480 0.000301 9C 1dxy 0.009869 -0.021612 -0.010514 -0.006600 0.005255 0.000079 9C 2dz2 -0.215580 -0.150559 0.072877 -0.057124 -0.132647 0.054039 9C 2dxz -0.433985 0.326684 0.322141 0.021359 -0.055554 -0.068870 9C 2dyz 0.014889 -0.274668 -0.077817 -0.001471 -0.115155 -0.022955 9C 2dx2y2 -0.142611 0.059951 0.121669 0.022915 0.018044 0.055687 9C 2dxy 0.299529 -0.023071 -0.231688 0.059530 0.026332 -0.071284 9C 1f0 0.023107 -0.010011 -0.021326 0.003425 -0.009128 -0.016960 9C 1f+1 -0.013785 0.002855 0.011955 -0.005743 -0.002072 -0.004419 9C 1f-1 -0.003095 -0.017835 -0.002292 0.017167 0.007543 -0.012103 9C 1f+2 0.027721 0.020427 -0.003438 0.000672 0.024847 0.034787 9C 1f-2 0.002436 -0.051214 -0.023247 -0.007156 -0.029607 -0.028772 9C 1f+3 0.033508 0.017634 -0.010877 0.011667 0.037066 0.035353 9C 1f-3 -0.011437 0.026516 0.013392 0.005325 0.005394 0.002196 10H 1s -0.016342 -0.011182 0.000904 -0.019501 0.006566 0.016892 10H 2s 0.422793 0.187716 0.044037 0.126947 -0.371302 -0.368348 10H 3s -0.366538 -0.280990 0.170182 -0.356695 0.810495 0.624513 10H 1pz 0.054630 0.032575 -0.010562 0.013654 -0.083459 -0.054329 10H 1px -0.043148 -0.032075 0.008245 -0.006904 0.049208 0.035223 10H 1py 0.042598 -0.029420 0.037915 -0.036113 -0.024750 -0.054840 11H 1s -0.001002 -0.018666 0.014994 0.011300 -0.006908 -0.001528 11H 2s -0.745894 0.589521 -1.062750 -0.048029 -0.333915 -0.410347 11H 3s 0.243017 -0.448887 0.648526 -0.273543 0.926081 0.765150 11H 1pz -0.071300 0.085045 -0.139524 -0.015267 -0.044898 -0.044890 11H 1px -0.037512 0.088090 -0.113102 0.033894 -0.070117 -0.082608 11H 1py 0.073847 0.006111 0.078702 -0.011853 0.074119 0.040557 12H 1s -0.010835 -0.006644 -0.001425 0.008842 -0.007244 0.019284 12H 2s 0.853838 0.458403 0.305130 0.028634 -0.463016 -0.322036 12H 3s -0.636795 -0.359786 0.004240 -0.256439 0.939809 0.733447 12H 1pz -0.028933 0.010412 -0.030610 0.006427 0.002698 0.035967 12H 1px 0.047057 -0.013266 0.029601 0.005260 -0.083100 -0.081072 12H 1py 0.152422 0.122668 0.039210 0.044227 -0.075223 -0.059494 13H 1s -0.008621 -0.002912 -0.005439 -0.010902 -0.015596 0.009126 13H 2s 0.342477 -0.354406 0.053282 -0.066704 0.251840 0.331087 13H 3s -0.439444 0.314947 0.172124 0.343165 -0.677679 -0.566064 13H 1pz 0.030827 -0.092444 0.030132 -0.067101 0.073437 0.000139 13H 1px -0.063926 -0.002119 0.027114 0.002727 -0.000992 -0.067592 13H 1py -0.042403 0.036537 -0.003762 0.026820 -0.051774 -0.044280 14H 1s -0.010999 0.017186 0.002742 0.006988 -0.004314 0.014475 14H 2s 0.398897 -0.531820 0.494995 0.010821 0.408404 0.094610 14H 3s -0.410382 0.477841 -0.182693 0.423026 -0.922054 -0.380974 14H 1pz 0.103060 -0.015536 0.028019 0.046872 -0.017310 0.033695 14H 1px 0.053538 -0.093727 0.073537 -0.033746 0.122766 0.020204 14H 1py -0.020360 -0.008850 0.022999 0.011108 0.002030 -0.025445 15H 1s -0.028683 -0.001652 0.014305 0.005426 0.006832 0.016160 15H 2s 0.720107 0.504403 -1.016885 -0.758570 0.519289 0.035129 15H 3s -0.577906 -0.129786 0.560696 0.831055 -0.981834 -0.426905 15H 1pz -0.036561 -0.048838 0.097476 0.078715 -0.104685 -0.047256 15H 1px 0.051238 0.022589 -0.024790 0.009483 0.006684 0.011071 15H 1py -0.133177 -0.040349 0.152117 0.123523 -0.082495 -0.000182 16H 1s 0.011922 -0.013124 -0.000313 0.061266 -0.022784 -0.001987 16H 2s -0.081892 0.130338 0.186343 -0.454682 0.406476 -0.413994 16H 3s 0.110557 0.165650 -0.022084 0.127612 -0.108159 0.068552 16H 1pz -0.015657 0.009511 0.002774 -0.053127 0.033014 -0.017011 16H 1px 0.007733 0.045298 0.014258 -0.088417 -0.051243 0.069197 16H 1py 0.003637 0.015527 -0.021179 -0.044337 -0.035384 0.101213 17H 1s 0.011513 0.010861 0.003243 0.054175 0.020683 -0.000292 17H 2s -0.106032 -0.022369 0.157281 -0.406039 0.163619 -0.434329 17H 3s -0.017728 0.201533 -0.056137 0.129090 -0.040995 0.127010 17H 1pz 0.021254 -0.015434 -0.012364 0.080793 0.010658 -0.013993 17H 1px -0.010668 0.016707 -0.008644 -0.027131 -0.036067 0.076055 17H 1py -0.006502 -0.026067 -0.029302 -0.039974 -0.085539 0.087531 18H 1s -0.011936 -0.006832 0.007416 -0.054921 0.019887 -0.000597 18H 2s 0.102321 0.067001 0.132742 0.407754 0.167758 -0.434275 18H 3s 0.019535 -0.204098 0.015545 -0.128758 -0.039480 0.126009 18H 1pz 0.021103 -0.010610 0.014403 0.079731 -0.011111 0.015608 18H 1px -0.009620 0.018080 0.002682 -0.025053 0.035939 -0.074991 18H 1py -0.005633 -0.010745 0.036538 -0.038489 0.086284 -0.087988 19H 1s -0.013371 0.010739 -0.003197 -0.060148 -0.023344 -0.001918 19H 2s 0.085417 -0.045261 0.207696 0.450220 0.412940 -0.418324 19H 3s -0.110682 -0.169254 0.033094 -0.126642 -0.108709 0.067779 19H 1pz -0.016692 0.006714 -0.005119 -0.052002 -0.033949 0.019058 19H 1px 0.007568 0.037737 -0.027101 -0.091810 0.048689 -0.067251 19H 1py 0.002214 0.021163 0.015029 -0.046060 0.033571 -0.100731 20H 1s 0.027765 0.004829 0.013457 -0.005649 0.006073 0.015865 20H 2s -0.692151 -0.791449 -0.820566 0.738446 0.543419 0.028187 20H 3s 0.558201 0.292500 0.511037 -0.813434 -1.003882 -0.424770 20H 1pz -0.034895 -0.077353 -0.078668 0.076395 0.107345 0.046451 20H 1px 0.051006 0.028057 0.018572 0.009552 -0.007609 -0.013030 20H 1py -0.128029 -0.084458 -0.134427 0.120306 0.085895 -0.000711 21H 1s 0.010995 -0.015470 0.008637 -0.007020 -0.004368 0.013949 21H 2s -0.407870 0.678419 0.285664 -0.009474 0.403443 0.110031 21H 3s 0.405733 -0.532257 0.000235 -0.415985 -0.928610 -0.391716 21H 1pz 0.103178 -0.028279 -0.020054 0.046250 0.017434 -0.034692 21H 1px 0.053834 -0.114048 -0.037404 -0.034361 -0.123318 -0.022819 21H 1py -0.020123 -0.017144 -0.019295 0.010907 -0.001678 0.024040 22H 1s 0.008629 0.000660 -0.006035 0.011011 -0.015899 0.008871 22H 2s -0.336647 0.355613 -0.074272 0.070492 0.258101 0.330975 22H 3s 0.422169 -0.261753 0.280792 -0.340473 -0.688884 -0.564206 22H 1pz 0.028972 -0.098203 0.002879 -0.068056 -0.075050 -0.000329 22H 1px -0.062448 -0.008769 -0.026390 0.002933 0.001820 0.065875 22H 1py -0.042348 0.036684 -0.010589 0.026613 0.052822 0.045380 23H 1s 0.010934 0.005653 -0.003480 -0.008493 -0.007748 0.019275 23H 2s -0.872657 -0.333069 0.441847 -0.030193 -0.457170 -0.327332 23H 3s 0.649612 0.332976 -0.124211 0.253416 0.940493 0.741508 23H 1pz -0.031205 0.020596 0.025817 0.004647 -0.004233 -0.038880 23H 1px 0.043392 -0.022564 -0.020933 0.003486 0.082988 0.077674 23H 1py 0.157625 0.101494 -0.079943 0.044601 0.075344 0.062395 24H 1s 0.001473 0.022059 0.007525 -0.010570 -0.006805 -0.001517 24H 2s 0.745267 -0.919714 -0.786290 0.031003 -0.331288 -0.405319 24H 3s -0.242008 0.633382 0.445991 0.272570 0.929757 0.760741 24H 1pz -0.071264 0.128314 0.100572 -0.012802 0.043836 0.043664 24H 1px -0.037571 0.119727 0.076018 0.036179 0.071706 0.084894 24H 1py 0.076229 -0.021222 -0.074895 -0.010365 -0.072768 -0.035793 25H 1s 0.016056 0.009540 -0.002910 0.019660 0.006548 0.017380 25H 2s -0.415696 -0.152097 0.098187 -0.119484 -0.368418 -0.373339 25H 3s 0.369397 0.325773 0.057217 0.351973 0.810354 0.626090 25H 1pz 0.054033 0.030670 -0.000492 0.012419 0.083324 0.055539 25H 1px -0.043306 -0.032924 0.003211 -0.005692 -0.048141 -0.036059 25H 1py 0.041026 -0.040911 -0.024046 -0.035987 0.025083 0.054606 26O 1s 0.004214 -0.005034 0.003289 0.000931 -0.002455 -0.005095 26O 2s 0.010891 -0.011474 0.007298 0.003391 -0.009479 -0.013454 26O 3s -0.027254 -0.013784 0.018331 -0.040445 0.100554 0.019839 26O 4s -0.101126 0.376028 -0.324176 0.185469 -0.428828 0.193436 26O 5s 0.472407 0.004059 -0.158313 0.524152 0.298745 0.933275 26O 1pz 0.003197 0.019325 0.003395 0.026502 0.008572 0.025455 26O 1px 0.017326 -0.036992 0.040163 -0.019582 -0.014985 -0.043924 26O 1py -0.027813 0.001508 -0.029149 -0.002531 -0.023763 0.028747 26O 2pz 0.016057 -0.042067 0.068185 0.002037 -0.025368 -0.026997 26O 2px -0.028285 -0.251455 0.238246 -0.255456 0.232809 -0.226702 26O 2py -0.082236 -0.114961 0.066045 -0.089978 0.086506 -0.117793 26O 3pz -0.058055 0.660673 -0.487561 0.220017 0.299363 0.343667 26O 3px -0.153357 0.319014 -0.259034 0.496081 0.080411 0.145520 26O 3py -0.047881 0.583514 -0.187461 0.265922 0.279666 0.198293 26O 1dz2 0.003275 0.001499 0.000159 0.000741 -0.001747 0.000744 26O 1dxz 0.003393 0.002472 0.000371 0.001910 -0.004526 0.001020 26O 1dyz 0.001738 0.001681 -0.002834 0.002885 -0.005180 0.001212 26O 1dx2y2 0.003260 -0.003376 0.005622 -0.000638 0.002755 -0.001915 26O 1dxy -0.003580 0.000597 -0.001897 0.001070 -0.001953 -0.000660 26O 2dz2 -0.091456 -0.006325 -0.105210 -0.091810 -0.008635 0.100637 26O 2dxz 0.012864 0.006734 -0.037418 0.065196 -0.082721 -0.029465 26O 2dyz 0.018788 -0.036117 0.090422 -0.027527 0.084548 -0.086575 26O 2dx2y2 0.028252 0.003982 -0.051551 -0.081574 -0.074300 0.086909 26O 2dxy -0.037394 0.003544 -0.081105 0.043999 -0.155895 0.096159 26O 1f0 -0.002096 -0.000207 -0.003110 0.000712 -0.001451 0.000427 26O 1f+1 0.003670 -0.000902 0.000181 0.005509 -0.008098 0.000613 26O 1f-1 0.002689 -0.001351 0.003409 0.000646 -0.003969 -0.001470 26O 1f+2 0.005074 0.002666 0.002388 -0.002059 0.001861 0.001620 26O 1f-2 0.001118 -0.001717 0.002414 0.000912 -0.000686 -0.000299 26O 1f+3 -0.007630 0.003168 -0.008942 0.000851 -0.001692 -0.001774 26O 1f-3 0.007352 -0.000467 0.002357 0.005930 -0.011329 0.003881 27O 1s -0.003895 -0.003020 -0.001213 -0.004015 -0.000338 0.006922 27O 2s -0.009651 -0.005867 -0.003519 -0.010563 0.002054 0.019081 27O 3s 0.002031 -0.025643 0.006353 0.033500 -0.079655 -0.059520 27O 4s 0.205893 0.378351 0.002986 0.126744 0.459960 -0.032079 27O 5s 0.363122 -0.571236 0.541846 -1.124628 -0.110378 -1.234146 27O 1pz 0.007961 0.024748 -0.006506 -0.001693 0.004292 -0.019711 27O 1px -0.027303 -0.030944 -0.004151 -0.055691 0.007660 0.039592 27O 1py -0.029688 0.008045 -0.043296 -0.019881 -0.021024 0.049460 27O 2pz -0.004923 0.052600 -0.023675 -0.011048 0.040341 0.005062 27O 2px -0.200796 -0.181855 -0.096592 0.013645 -0.249174 0.118692 27O 2py 0.075096 0.047329 -0.043235 -0.036724 0.024898 -0.057788 27O 3pz 0.314208 0.198099 0.114980 -0.080217 -0.149409 -0.255477 27O 3px 0.076163 0.908787 -0.250604 0.980940 -0.452018 0.376279 27O 3py -0.420514 -0.477331 0.209645 -0.214252 0.331911 0.170565 27O 1dz2 0.001852 -0.000983 -0.000197 -0.000094 0.000948 -0.003658 27O 1dxz 0.002071 0.005597 -0.003376 -0.003103 0.001709 0.002561 27O 1dyz -0.000414 -0.002801 0.001454 -0.001588 -0.002556 -0.000724 27O 1dx2y2 -0.002139 0.001411 -0.003481 -0.001748 -0.004739 0.003577 27O 1dxy 0.000114 -0.001228 -0.001165 -0.001247 -0.001344 -0.007098 27O 2dz2 0.004304 -0.052776 0.053588 0.075518 -0.030226 -0.032742 27O 2dxz 0.030391 0.004564 -0.041996 0.023119 -0.008309 0.082344 27O 2dyz 0.054674 -0.068808 -0.034006 -0.084096 0.034218 0.050212 27O 2dx2y2 0.048279 -0.057782 0.128206 -0.037925 0.153433 -0.101435 27O 2dxy 0.006476 0.045565 -0.034935 0.020704 -0.100351 -0.006954 27O 1f0 -0.002369 -0.003000 0.004769 0.004777 -0.002741 0.001660 27O 1f+1 0.000695 -0.002432 0.004542 -0.003781 0.005409 0.003344 27O 1f-1 -0.000482 -0.001229 0.001490 0.002751 -0.001203 -0.000736 27O 1f+2 0.003690 0.004532 -0.004945 -0.001568 0.003397 -0.004799 27O 1f-2 0.000703 -0.000099 0.003843 0.003227 -0.001186 -0.002476 27O 1f+3 0.000181 -0.006126 0.008631 -0.004305 0.008010 0.003512 27O 1f-3 -0.000855 -0.001459 0.004228 0.007068 -0.003447 -0.002994 28O 1s -0.001922 0.007208 -0.003772 0.004206 -0.003768 0.001748 28O 2s -0.005893 0.016802 -0.009384 0.010817 -0.011318 0.002850 28O 3s 0.027496 -0.004407 0.010245 -0.024191 0.062309 0.034674 28O 4s -0.064666 -0.441590 0.181029 -0.184453 -0.193045 -0.311289 28O 5s 0.121702 1.175927 -0.116701 0.694014 1.282837 0.376397 28O 1pz 0.016939 0.012298 -0.011763 0.024839 -0.005734 0.004110 28O 1px 0.003051 -0.036562 0.034278 -0.052797 0.031342 -0.005285 28O 1py 0.021145 -0.025107 0.032220 -0.008022 0.038819 -0.035458 28O 2pz 0.050712 0.030934 -0.054901 0.053627 -0.028287 0.060110 28O 2px 0.001090 -0.136111 0.119455 -0.043577 -0.015943 -0.098785 28O 2py 0.000156 -0.035093 -0.005448 0.025371 -0.012968 -0.016344 28O 3pz -0.098351 -0.934562 0.468527 -0.600879 0.095573 0.165067 28O 3px 0.252535 0.763251 -0.180093 0.595309 0.332987 -0.254938 28O 3py -0.064236 -0.221138 0.142060 -0.202577 0.126781 0.144976 28O 1dz2 0.003001 -0.003545 0.002946 0.000546 -0.007321 -0.000124 28O 1dxz -0.000562 0.003061 0.000003 -0.002643 0.003965 -0.003320 28O 1dyz -0.002187 -0.001400 0.001102 -0.001131 -0.003773 -0.004104 28O 1dx2y2 -0.001498 -0.000024 -0.002013 -0.000213 0.000364 0.003969 28O 1dxy 0.001235 0.001552 0.000376 -0.001803 0.001481 0.000365 28O 2dz2 -0.009961 -0.040604 0.005173 -0.031765 0.007474 -0.086695 28O 2dxz -0.009365 -0.074466 0.019090 -0.053668 0.098108 -0.000249 28O 2dyz -0.039623 -0.057047 0.033140 0.007195 0.007935 0.026149 28O 2dx2y2 0.005772 0.033618 0.040882 0.001758 0.154226 -0.126808 28O 2dxy -0.045427 -0.050497 -0.032298 -0.041892 0.014346 0.118300 28O 1f0 0.002159 0.002062 0.000260 0.002002 -0.003195 -0.000420 28O 1f+1 -0.006545 0.003286 -0.006765 0.004239 -0.002389 -0.000846 28O 1f-1 -0.000104 0.000138 -0.002261 0.002879 -0.001422 -0.001251 28O 1f+2 -0.001567 -0.003991 0.001092 -0.005908 0.005508 0.001928 28O 1f-2 0.005943 -0.000717 0.004402 0.002570 -0.003037 0.002649 28O 1f+3 -0.001922 -0.001812 -0.001664 -0.001801 0.000583 0.002406 28O 1f-3 0.005370 -0.000050 0.003749 0.001562 -0.004444 0.003310 29O 1s 0.002521 0.004570 -0.002071 0.008285 -0.004949 0.008709 29O 2s 0.006390 0.010908 -0.004458 0.021362 -0.011829 0.020933 29O 3s -0.012156 -0.005164 -0.008474 -0.050035 0.002564 -0.004780 29O 4s -0.114526 -0.239305 0.186035 -0.381284 0.322353 -0.558119 29O 5s 0.482864 0.687718 -0.565878 1.885488 -0.948855 1.598436 29O 1pz -0.006359 -0.013534 0.005932 -0.002010 -0.001171 -0.006440 29O 1px 0.002206 0.009633 -0.004130 0.016203 -0.005728 0.003514 29O 1py -0.001348 -0.013014 0.000738 0.021036 0.014852 -0.029099 29O 2pz -0.021965 0.007654 0.005428 -0.042887 0.069080 -0.019021 29O 2px 0.020990 0.045223 -0.026980 0.086515 -0.032815 0.080396 29O 2py -0.012187 -0.021102 -0.011167 -0.054344 -0.006625 0.007727 29O 3pz 0.133917 0.257830 0.011859 0.096104 -0.033624 0.132948 29O 3px -0.123073 -0.448401 0.111663 -0.479938 0.297080 -0.477260 29O 3py -0.079840 0.140383 0.228803 -0.347379 0.280616 -0.441802 29O 1dz2 0.000667 -0.000563 0.000120 0.001394 0.000536 -0.000134 29O 1dxz -0.000092 -0.002086 -0.000183 0.003845 0.000188 -0.000894 29O 1dyz -0.000109 0.000389 0.000358 -0.000685 0.000423 -0.000801 29O 1dx2y2 -0.000665 -0.000096 -0.000652 -0.004538 -0.001307 0.001173 29O 1dxy 0.000431 -0.001050 -0.001500 0.002304 -0.001280 0.001372 29O 2dz2 0.010734 -0.039058 -0.062365 0.074668 -0.114290 0.133017 29O 2dxz 0.027509 -0.030263 -0.013460 0.109247 0.013286 -0.017106 29O 2dyz 0.002151 -0.038069 0.006678 -0.027309 -0.057846 0.001717 29O 2dx2y2 -0.004373 -0.004417 -0.017703 -0.095688 -0.102699 0.174106 29O 2dxy 0.009961 -0.007011 0.011160 0.094538 0.063461 -0.130549 29O 1f0 -0.001798 -0.000130 -0.000793 -0.009206 -0.001153 0.002947 29O 1f+1 0.000705 0.000611 0.000666 0.004475 0.001583 -0.001575 29O 1f-1 -0.001242 0.001133 -0.000054 -0.006116 0.002238 0.000641 29O 1f+2 0.001315 -0.000131 0.000659 0.006940 0.000146 -0.001945 29O 1f-2 -0.000844 -0.001231 -0.000486 -0.004417 -0.003766 0.001386 29O 1f+3 0.000901 0.001082 0.000663 0.005707 0.001069 -0.000076 29O 1f-3 0.000320 0.001159 0.000244 0.000023 0.000670 0.001323 30O 1s 0.006226 0.001455 0.001332 -0.000670 0.004937 -0.000862 30O 2s 0.015492 0.002123 0.002776 -0.002671 0.013621 0.000413 30O 3s -0.027527 0.037042 0.020191 0.041918 -0.033816 -0.084089 30O 4s -0.228578 -0.309813 -0.180530 -0.213159 -0.051481 0.533718 30O 5s 0.896693 -0.137829 -0.764918 -0.797743 -1.642112 0.265573 30O 1pz -0.001076 -0.002716 -0.002880 -0.002770 -0.001540 0.005289 30O 1px -0.031746 -0.024465 -0.012997 -0.029688 -0.049725 0.007909 30O 1py 0.017445 -0.012765 0.015886 -0.007433 0.033746 -0.039209 30O 2pz -0.024393 0.140102 0.080222 0.155564 0.130812 -0.193220 30O 2px -0.048365 -0.196383 -0.130716 -0.220889 -0.164871 0.320882 30O 2py 0.060731 -0.114703 -0.122190 -0.185366 -0.129819 0.169460 30O 3pz -0.310435 -0.286063 0.063944 -0.428009 -0.084719 -0.075362 30O 3px 0.507140 0.069368 -0.205077 0.067162 -0.277406 0.003685 30O 3py 0.378461 0.529057 -0.132810 0.487517 0.080442 0.213447 30O 1dz2 0.000539 0.001679 -0.002341 -0.001436 0.000832 -0.000491 30O 1dxz 0.001019 -0.002580 -0.000300 0.000324 -0.001626 0.002566 30O 1dyz 0.000984 0.002596 -0.000584 0.002316 -0.003916 -0.004759 30O 1dx2y2 0.000938 0.004500 -0.000814 0.002196 -0.000872 -0.007880 30O 1dxy -0.002810 0.000059 0.002856 0.002291 0.001681 -0.000628 30O 2dz2 -0.011341 0.035433 0.056035 -0.033858 0.046736 0.022337 30O 2dxz -0.058763 0.022034 0.034327 0.021294 0.013913 -0.036823 30O 2dyz 0.028482 -0.001119 0.024288 -0.054045 0.048018 -0.085565 30O 2dx2y2 0.047665 -0.022745 -0.024587 0.085891 -0.127878 0.057623 30O 2dxy 0.054633 0.002850 -0.067617 -0.118042 -0.037921 0.203926 30O 1f0 0.003078 -0.002544 -0.002744 -0.003631 -0.003832 0.007637 30O 1f+1 -0.003208 -0.003756 0.007434 0.001528 -0.000809 0.004211 30O 1f-1 -0.000091 -0.003645 0.002632 0.001870 -0.001563 0.001898 30O 1f+2 -0.000015 0.002527 -0.001954 -0.000055 -0.000585 -0.005028 30O 1f-2 -0.003267 0.003065 0.001306 0.003603 0.001579 -0.011192 30O 1f+3 0.001327 0.003879 -0.004093 -0.003277 0.002283 0.000952 30O 1f-3 -0.003764 -0.001093 0.007094 0.007181 0.001087 -0.009475 31O 1s -0.006319 -0.000939 0.001524 0.000551 0.004838 -0.000805 31O 2s -0.015680 -0.001073 0.002788 0.002359 0.013349 0.000553 31O 3s 0.026136 -0.029206 0.032498 -0.041530 -0.033202 -0.083917 31O 4s 0.242257 0.239617 -0.267242 0.217849 -0.049120 0.530151 31O 5s -0.850158 -0.083066 -0.803805 0.833357 -1.632610 0.240934 31O 1pz -0.000397 0.000209 0.003308 -0.002614 0.001647 -0.005660 31O 1px -0.033059 -0.018662 0.019860 -0.031210 0.049383 -0.008278 31O 1py 0.017046 -0.018951 -0.010324 -0.007645 -0.033303 0.039010 31O 2pz -0.017576 0.108566 -0.123901 0.159957 -0.129559 0.190414 31O 2px -0.057236 -0.143306 0.189093 -0.225737 0.163490 -0.318574 31O 2py 0.051808 -0.072960 0.156723 -0.188577 0.128633 -0.166969 31O 3pz -0.311936 -0.276137 0.027718 -0.427567 0.082408 0.071037 31O 3px 0.498183 0.123663 0.180125 0.061051 0.272047 0.003519 31O 3py 0.381283 0.530729 -0.042165 0.488834 -0.082711 -0.203679 31O 1dz2 -0.000492 -0.002429 -0.001659 0.001383 0.000863 -0.000465 31O 1dxz -0.000992 0.002364 -0.001136 -0.000245 -0.001609 0.002492 31O 1dyz -0.000989 -0.002582 0.000328 -0.002280 -0.003882 -0.004855 31O 1dx2y2 -0.000976 -0.004428 0.000721 -0.002226 -0.000881 -0.007953 31O 1dxy 0.002670 0.000762 0.002828 -0.002330 0.001625 -0.000547 31O 2dz2 0.011315 -0.012533 0.062380 0.033199 0.046491 0.024825 31O 2dxz 0.057571 -0.008679 0.040244 -0.023772 0.014185 -0.037324 31O 2dyz -0.030526 0.006366 0.021512 0.053905 0.049416 -0.085590 31O 2dx2y2 -0.046514 0.014247 -0.030948 -0.085586 -0.129263 0.057768 31O 2dxy -0.051546 -0.024708 -0.066813 0.118177 -0.035146 0.202106 31O 1f0 0.002945 -0.001438 0.003558 -0.003702 0.003835 -0.007614 31O 1f+1 -0.003036 -0.006004 -0.005857 0.001375 0.000869 -0.004217 31O 1f-1 -0.000013 -0.004194 -0.001353 0.001787 0.001588 -0.001856 31O 1f+2 -0.000075 0.002964 0.001029 0.000013 0.000582 0.004994 31O 1f-2 -0.003182 0.002446 -0.002377 0.003660 -0.001595 0.011139 31O 1f+3 0.001199 0.004905 0.002688 -0.003183 -0.002323 -0.000927 31O 1f-3 -0.003533 -0.003403 -0.006553 0.007148 -0.000982 0.009354 32O 1s -0.002509 -0.005111 -0.000322 -0.008224 -0.004961 0.008714 32O 2s -0.006403 -0.012017 -0.000280 -0.021185 -0.011869 0.020928 32O 3s 0.013197 0.001525 -0.010592 0.049360 0.002963 -0.004403 32O 4s 0.108869 0.297088 0.091046 0.380614 0.322706 -0.561041 32O 5s -0.475041 -0.859285 -0.277414 -1.881556 -0.959345 1.607779 32O 1pz -0.005976 -0.014582 -0.001221 -0.002338 0.001465 0.005725 32O 1px 0.001708 0.010809 0.000641 0.015933 0.005835 -0.003754 32O 1py -0.001488 -0.013739 0.003402 0.021327 -0.014193 0.028813 32O 2pz -0.022694 0.001332 -0.006925 -0.038826 -0.068884 0.019131 32O 2px 0.020954 0.050576 0.009227 0.087452 0.033731 -0.080328 32O 2py -0.013784 -0.014318 0.018214 -0.054403 0.004791 -0.008345 32O 3pz 0.131292 0.233844 -0.090387 0.098108 0.034010 -0.137341 32O 3px -0.121483 -0.467568 0.049490 -0.476308 -0.295238 0.475739 32O 3py -0.073286 0.051184 -0.255838 -0.348998 -0.287548 0.446394 32O 1dz2 -0.000658 0.000609 -0.000065 -0.001397 0.000503 -0.000125 32O 1dxz 0.000075 0.001828 -0.000753 -0.003881 0.000077 -0.000865 32O 1dyz 0.000096 -0.000206 0.000420 0.000665 0.000400 -0.000793 32O 1dx2y2 0.000617 -0.000151 -0.000696 0.004521 -0.001277 0.001117 32O 1dxy -0.000404 0.000502 -0.001737 -0.002331 -0.001358 0.001403 32O 2dz2 -0.012060 0.011517 -0.068256 -0.074229 -0.112274 0.133326 32O 2dxz -0.027362 0.025802 -0.021251 -0.108900 0.010237 -0.014312 32O 2dyz -0.004948 0.033223 -0.009962 0.026206 -0.064257 0.010505 32O 2dx2y2 0.005292 -0.004913 -0.019416 0.097200 -0.101643 0.175728 32O 2dxy -0.010039 0.009827 0.007839 -0.096022 0.060945 -0.126655 32O 1f0 -0.001816 0.000165 0.000941 -0.008768 0.001153 -0.002904 32O 1f+1 0.000808 0.000271 -0.000935 0.004819 -0.001669 0.001675 32O 1f-1 -0.001460 0.000944 -0.000161 -0.006280 -0.002245 -0.000713 32O 1f+2 0.001465 -0.000278 -0.000725 0.007144 -0.000046 0.001920 32O 1f-2 -0.000835 -0.000702 0.000894 -0.004333 0.003669 -0.001316 32O 1f+3 0.000887 0.000648 -0.001041 0.005612 -0.000916 0.000085 32O 1f-3 0.000281 0.000892 -0.000573 -0.000044 -0.000661 -0.001375 33O 1s 0.001951 -0.008190 -0.001076 -0.004280 -0.003712 0.001812 33O 2s 0.005945 -0.019414 -0.003011 -0.010959 -0.011227 0.003088 33O 3s -0.026777 0.011347 0.006619 0.023192 0.063338 0.032791 33O 4s 0.058932 0.465762 0.027078 0.195351 -0.201442 -0.305097 33O 5s -0.158337 -1.244090 0.310420 -0.718792 1.282573 0.378510 33O 1pz 0.016134 0.015461 0.006992 0.024246 0.005715 -0.003323 33O 1px 0.003323 -0.046170 -0.018993 -0.053718 -0.030838 0.005114 33O 1py 0.021955 -0.034826 -0.021796 -0.008017 -0.038357 0.035232 33O 2pz 0.045211 0.037915 0.045276 0.056031 0.025660 -0.058254 33O 2px 0.004729 -0.158191 -0.069743 -0.049344 0.021059 0.095126 33O 2py -0.000672 -0.033874 0.016957 0.025737 0.012978 0.017036 33O 3pz -0.102585 -1.089572 -0.118987 -0.609625 -0.083203 -0.169527 33O 3px 0.262785 0.805801 -0.093783 0.603516 -0.334764 0.255937 33O 3py -0.068156 -0.278580 -0.056470 -0.207990 -0.118208 -0.147991 33O 1dz2 -0.002894 0.004438 0.001529 -0.000323 -0.007403 -0.000054 33O 1dxz 0.000474 -0.003086 0.000991 0.002598 0.004043 -0.003355 33O 1dyz 0.002186 0.001797 0.000613 0.001210 -0.003820 -0.004121 33O 1dx2y2 0.001497 -0.000709 -0.001881 0.000125 0.000415 0.003949 33O 1dxy -0.001270 -0.001540 0.000809 0.001799 0.001570 0.000375 33O 2dz2 0.010273 0.039904 -0.009937 0.031796 0.005129 -0.082337 33O 2dxz 0.010159 0.083495 -0.008199 0.049764 0.098176 -0.000121 33O 2dyz 0.038317 0.063787 0.012923 -0.007848 0.008309 0.024898 33O 2dx2y2 -0.008816 -0.022058 0.050605 -0.003110 0.152866 -0.123535 33O 2dxy 0.046678 0.034861 -0.047719 0.041984 0.015988 0.119219 33O 1f0 0.002117 0.002128 -0.000936 0.001867 0.003234 0.000316 33O 1f+1 -0.006534 0.005653 0.005027 0.004320 0.002418 0.000840 33O 1f-1 -0.000107 0.000917 0.002040 0.002957 0.001452 0.001236 33O 1f+2 -0.001616 -0.004613 0.000453 -0.005775 -0.005594 -0.001887 33O 1f-2 0.005888 -0.001958 -0.003817 0.002427 0.003119 -0.002788 33O 1f+3 -0.001954 -0.001350 0.002194 -0.001686 -0.000638 -0.002365 33O 1f-3 0.005404 -0.001051 -0.003475 0.001445 0.004497 -0.003373 34O 1s 0.003976 0.002378 -0.002081 0.004046 -0.000306 0.007041 34O 2s 0.009882 0.004270 -0.005147 0.010579 0.002144 0.019395 34O 3s -0.003068 0.024136 -0.001361 -0.032113 -0.080177 -0.060114 34O 4s -0.205119 -0.338641 0.119509 -0.136928 0.460778 -0.035764 34O 5s -0.337815 0.781757 0.293339 1.150307 -0.096202 -1.245815 34O 1pz 0.007551 0.025040 -0.001147 -0.001088 -0.004701 0.020495 34O 1px -0.027662 -0.025962 0.013945 -0.055971 -0.008714 -0.038830 34O 1py -0.031255 0.021035 0.038202 -0.019971 0.020392 -0.049487 34O 2pz -0.005304 0.058407 0.006117 -0.009689 -0.040661 -0.004920 34O 2px -0.200326 -0.126098 0.143291 0.009910 0.250686 -0.120347 34O 2py 0.072527 0.053181 0.028263 -0.036019 -0.026173 0.058291 34O 3pz 0.322324 0.150454 -0.166658 -0.082165 0.148144 0.255091 34O 3px 0.092873 0.966320 -0.078406 0.987943 0.461139 -0.383168 34O 3py -0.429837 -0.532041 -0.047976 -0.221022 -0.334996 -0.168131 34O 1dz2 -0.001817 0.000969 -0.000550 0.000072 0.000948 -0.003698 34O 1dxz -0.002030 -0.006392 -0.001500 0.002977 0.001793 0.002555 34O 1dyz 0.000375 0.002963 0.000461 0.001651 -0.002597 -0.000698 34O 1dx2y2 0.002218 -0.002633 -0.002780 0.001769 -0.004723 0.003563 34O 1dxy 0.000037 0.000947 -0.001522 0.001318 -0.001296 -0.007167 34O 2dz2 -0.006381 0.063520 0.035078 -0.071927 -0.033301 -0.029551 34O 2dxz -0.029577 -0.018026 -0.038491 -0.024338 -0.009326 0.083254 34O 2dyz -0.053508 0.053961 -0.057246 0.082373 0.035532 0.049464 34O 2dx2y2 -0.049473 0.099264 0.099237 0.038049 0.152364 -0.098141 34O 2dxy -0.006201 -0.056395 -0.017435 -0.020380 -0.099395 -0.008666 34O 1f0 -0.002233 -0.004407 -0.003680 0.004634 0.002797 -0.001682 34O 1f+1 0.000709 -0.003861 -0.003376 -0.003757 -0.005451 -0.003362 34O 1f-1 -0.000462 -0.001712 -0.001082 0.002713 0.001237 0.000729 34O 1f+2 0.003574 0.005834 0.003318 -0.001384 -0.003481 0.004777 34O 1f-2 0.000865 -0.001357 -0.003642 0.003177 0.001210 0.002435 34O 1f+3 0.000256 -0.008702 -0.006047 -0.004334 -0.008003 -0.003534 34O 1f-3 -0.000595 -0.002586 -0.003674 0.006968 0.003539 0.003003 35O 1s -0.004206 0.005915 0.001330 -0.000804 -0.002662 -0.005063 35O 2s -0.010894 0.013385 0.002857 -0.003057 -0.009985 -0.013408 35O 3s 0.027636 0.020330 0.011780 0.039906 0.101084 0.020692 35O 4s 0.097487 -0.478399 -0.169368 -0.191164 -0.419830 0.188134 35O 5s -0.480026 -0.078199 -0.125559 -0.557938 0.288448 0.916459 35O 1pz 0.002974 0.015262 -0.010597 0.027207 -0.008880 -0.025216 35O 1px 0.016745 -0.051339 -0.024740 -0.021409 0.015790 0.044011 35O 1py -0.029149 0.009796 0.027169 -0.002938 0.023488 -0.028759 35O 2pz 0.014243 -0.066847 -0.048487 -0.000755 0.025654 0.026040 35O 2px -0.028638 -0.325880 -0.132478 -0.262784 -0.230439 0.222179 35O 2py -0.084246 -0.137075 -0.020761 -0.093241 -0.086078 0.116840 35O 3pz -0.058596 0.797910 0.235543 0.233076 -0.306693 -0.343042 35O 3px -0.156128 0.394759 0.136121 0.497160 -0.078661 -0.157268 35O 3py -0.041483 0.624796 -0.021085 0.274736 -0.281948 -0.203060 35O 1dz2 -0.003336 -0.001492 0.000673 -0.000787 -0.001672 0.000660 35O 1dxz -0.003357 -0.002272 0.001152 -0.001838 -0.004521 0.001074 35O 1dyz -0.001729 -0.002751 -0.002069 -0.002905 -0.005190 0.001225 35O 1dx2y2 -0.003294 0.005171 0.004077 0.000746 0.002679 -0.001810 35O 1dxy 0.003592 -0.001231 -0.001554 -0.001051 -0.002002 -0.000637 35O 2dz2 0.093544 -0.031422 -0.103651 0.092331 -0.008093 0.103291 35O 2dxz -0.013755 -0.022189 -0.030555 -0.064835 -0.083815 -0.027172 35O 2dyz -0.020915 0.064766 0.071705 0.027272 0.084996 -0.087391 35O 2dx2y2 -0.026386 -0.019274 -0.049323 0.080813 -0.073869 0.086650 35O 2dxy 0.039371 -0.031060 -0.073232 -0.043706 -0.155759 0.094494 35O 1f0 -0.002078 0.000838 0.002912 0.000779 0.001466 -0.000408 35O 1f+1 0.003600 -0.001043 0.000010 0.005453 0.008193 -0.000572 35O 1f-1 0.002657 -0.002473 -0.002729 0.000491 0.004010 0.001436 35O 1f+2 0.005127 0.001712 -0.002991 -0.002052 -0.001906 -0.001651 35O 1f-2 0.001134 -0.002442 -0.001702 0.000842 0.000717 0.000238 35O 1f+3 -0.007756 0.005770 0.007218 0.001033 0.001622 0.001968 35O 1f-3 0.007194 -0.001310 -0.002080 0.005773 0.011448 -0.003818 318 319 320 321 322 323 1.51251 1.52290 1.52345 1.52930 1.53286 1.53645 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s -0.000717 -0.000630 -0.000230 -0.000399 -0.000665 0.000725 0Rh 2s 0.007770 0.002505 0.004207 0.001818 0.002127 -0.002687 0Rh 3s 0.000567 -0.002157 0.001236 -0.001226 -0.002597 0.002603 0Rh 4s -0.038411 -0.011887 -0.021017 -0.008682 -0.009972 0.012693 0Rh 5s 0.078286 0.010451 0.048441 0.009331 0.004663 -0.009296 0Rh 6s -0.093466 0.032429 -0.076895 0.017863 0.045699 -0.044305 0Rh 7s 0.480209 -0.008889 0.429142 -0.115403 -0.465888 0.110160 0Rh 8s 0.068900 0.210531 0.012866 0.081323 0.134103 -0.039161 0Rh 1pz -0.008370 0.002056 0.006508 -0.003874 0.004951 -0.000443 0Rh 1px 0.002838 -0.006606 0.005014 -0.001444 0.002569 0.003263 0Rh 1py -0.003746 0.002304 -0.002303 0.000688 0.002350 -0.000425 0Rh 2pz 0.028143 -0.007014 -0.023473 0.013048 -0.016320 0.001419 0Rh 2px -0.007608 0.022200 -0.015777 0.004770 -0.009363 -0.010807 0Rh 2py 0.013395 -0.007646 0.008348 -0.002412 -0.008412 0.001403 0Rh 3pz 0.000823 0.002027 0.032276 -0.000116 -0.007044 0.001284 0Rh 3px -0.040757 0.000564 -0.023497 0.002034 0.015365 -0.003852 0Rh 3py -0.016112 -0.002598 -0.012277 0.002072 0.010433 0.000815 0Rh 4pz -0.169381 0.033020 0.012340 -0.076781 0.122442 -0.012084 0Rh 4px 0.206457 -0.132699 0.188573 -0.036906 -0.008462 0.080734 0Rh 4py -0.016664 0.057589 -0.001588 0.005509 0.008025 -0.013054 0Rh 5pz 0.250132 -0.047855 0.040315 0.132101 -0.188170 0.014107 0Rh 5px -0.378217 0.222183 -0.330740 0.068736 0.048931 -0.151199 0Rh 5py 0.003203 -0.109764 -0.014546 -0.003515 0.013045 0.031438 0Rh 6pz 0.882899 0.009529 -2.056539 -0.261539 -0.446365 -0.002643 0Rh 6px 1.098550 -0.931262 0.249972 -0.237408 -0.489864 0.892935 0Rh 6py 0.844891 0.256346 0.559346 -0.131284 -0.826995 -0.158547 0Rh 1dz2 0.001578 0.003761 -0.003273 0.004950 0.003820 0.003158 0Rh 1dxz -0.003628 0.004500 0.009396 0.002604 0.000554 0.000634 0Rh 1dyz -0.000629 -0.000187 0.003268 -0.009416 0.003814 0.004918 0Rh 1dx2y2 -0.006776 -0.001597 0.009920 0.004979 -0.005117 0.003632 0Rh 1dxy -0.005511 -0.000275 -0.000349 -0.000557 0.000678 0.005180 0Rh 2dz2 -0.000438 -0.000645 0.001391 -0.000560 -0.001141 -0.000239 0Rh 2dxz 0.001046 -0.001111 -0.001363 -0.000881 0.000307 0.000131 0Rh 2dyz -0.001256 0.000373 0.000770 0.001987 0.000125 -0.000009 0Rh 2dx2y2 0.000286 0.000515 -0.002351 -0.000937 0.001723 -0.000551 0Rh 2dxy 0.000034 0.000324 0.000415 0.000119 -0.000470 -0.000494 0Rh 3dz2 -0.001742 -0.005909 0.001439 -0.009179 -0.003955 -0.006268 0Rh 3dxz 0.003732 -0.005581 -0.015851 -0.002256 -0.002531 -0.002053 0Rh 3dyz 0.006767 -0.001144 -0.010786 0.013181 -0.009319 -0.011333 0Rh 3dx2y2 0.014478 0.001406 -0.012682 -0.007444 0.004428 -0.006058 0Rh 3dxy 0.012557 -0.000794 -0.000939 0.000784 0.000484 -0.009884 0Rh 4dz2 -0.007886 -0.012173 0.024805 -0.010510 -0.018451 -0.006746 0Rh 4dxz 0.021377 -0.019924 -0.029581 -0.014277 0.002604 0.000924 0Rh 4dyz -0.015353 0.005191 0.006001 0.037390 -0.002192 -0.004653 0Rh 4dx2y2 0.008824 0.008893 -0.043720 -0.018689 0.028250 -0.010136 0Rh 4dxy 0.006472 0.004937 0.005894 0.001745 -0.008043 -0.011276 0Rh 5dz2 0.045027 0.028103 -0.126921 0.015074 0.056577 0.042647 0Rh 5dxz -0.128418 0.060626 0.154925 0.042966 0.008327 0.016178 0Rh 5dyz 0.051160 -0.025898 -0.008723 -0.164790 0.007655 0.024495 0Rh 5dx2y2 -0.017666 -0.012558 0.177192 0.078583 -0.104212 0.005827 0Rh 5dxy -0.042883 -0.010391 -0.033379 -0.003597 0.047694 0.030730 0Rh 1f0 -0.027380 0.004602 0.025329 0.014842 0.007564 0.008263 0Rh 1f+1 0.003583 0.020071 0.038512 0.045208 0.002734 -0.016785 0Rh 1f-1 0.025412 -0.000459 -0.013505 -0.007026 0.009651 0.008856 0Rh 1f+2 0.031218 0.012869 0.056837 -0.013689 -0.039731 0.015705 0Rh 1f-2 0.038932 -0.013365 -0.006412 -0.006188 -0.013717 -0.014535 0Rh 1f+3 0.034318 0.019880 0.021113 -0.006224 -0.008610 -0.012140 0Rh 1f-3 -0.008677 -0.009654 0.023412 -0.005022 0.000088 0.015125 1Rh 1s -0.000719 0.000601 -0.000355 0.000366 -0.000655 -0.000922 1Rh 2s 0.007776 -0.001969 0.004683 -0.001668 0.002097 0.003581 1Rh 3s 0.000562 0.002318 0.000797 0.001123 -0.002556 -0.003206 1Rh 4s -0.038440 0.009207 -0.023268 0.007965 -0.009832 -0.016982 1Rh 5s 0.078320 -0.004267 0.050207 -0.008528 0.004621 0.014225 1Rh 6s -0.093386 -0.042264 -0.069750 -0.016641 0.044955 0.050957 1Rh 7s 0.466936 0.068300 0.430410 0.097816 -0.466491 -0.206281 1Rh 8s 0.053970 -0.206935 0.063793 -0.075086 0.130298 0.083675 1Rh 1pz 0.008535 0.000981 -0.006804 -0.004178 -0.004712 -0.000499 1Rh 1px -0.003386 -0.007170 -0.003363 -0.001590 -0.002730 0.002571 1Rh 1py 0.003724 0.002676 0.002099 0.000685 -0.002336 -0.000487 1Rh 2pz -0.028694 -0.003163 0.024462 0.014074 0.015528 0.001557 1Rh 2px 0.009457 0.023954 0.010239 0.005284 0.009908 -0.008411 1Rh 2py -0.013314 -0.008975 -0.007675 -0.002405 0.008365 0.001777 1Rh 3pz -0.000852 -0.002757 -0.032127 -0.000134 0.006844 0.002359 1Rh 3px 0.040580 0.003620 0.023140 0.001523 -0.015432 -0.005398 1Rh 3py 0.016022 -0.001043 0.012566 0.002152 -0.010456 -0.002580 1Rh 4pz 0.172711 0.028998 -0.018665 -0.082713 -0.117028 -0.017116 1Rh 4px -0.216529 -0.155527 -0.154652 -0.037858 0.005391 0.073424 1Rh 4py 0.016574 0.059304 -0.003888 0.005273 -0.007313 -0.002163 1Rh 5pz -0.255699 -0.050712 -0.030150 0.140585 0.179142 0.023773 1Rh 5px 0.394108 0.262324 0.274417 0.069059 -0.043038 -0.145435 1Rh 5py -0.003252 -0.109792 0.025690 -0.003743 -0.016197 0.008607 1Rh 6pz -0.858736 0.329472 2.008757 -0.216415 0.464200 -0.016799 1Rh 6px -1.150174 -0.935861 -0.036979 -0.214475 0.444937 0.931683 1Rh 6py -0.853520 0.178502 -0.574917 -0.117088 0.867178 0.022778 1Rh 1dz2 0.001408 -0.004228 -0.002531 -0.004988 0.004144 -0.001521 1Rh 1dxz -0.003754 -0.003086 0.010075 -0.002645 0.000816 0.000366 1Rh 1dyz -0.001116 0.000675 0.003390 0.009486 0.003413 -0.004542 1Rh 1dx2y2 -0.006599 0.003135 0.009385 -0.005055 -0.004555 -0.005045 1Rh 1dxy -0.005646 0.000318 -0.000545 0.000239 0.000309 -0.004265 1Rh 2dz2 -0.000378 0.000870 0.001209 0.000546 -0.001196 -0.000079 1Rh 2dxz 0.001085 0.000869 -0.001582 0.000903 0.000230 -0.000266 1Rh 2dyz -0.001181 -0.000242 0.000767 -0.001984 0.000230 0.000012 1Rh 2dx2y2 0.000220 -0.000858 -0.002170 0.000977 0.001652 0.000970 1Rh 2dxy 0.000037 -0.000274 0.000459 -0.000077 -0.000421 0.000031 1Rh 3dz2 -0.001614 0.006001 0.000510 0.009327 -0.004475 0.003848 1Rh 3dxz 0.003850 0.003359 -0.016469 0.002262 -0.002807 0.000314 1Rh 3dyz 0.007562 -0.000536 -0.011049 -0.013356 -0.008847 0.010459 1Rh 3dx2y2 0.014363 -0.003465 -0.012242 0.007450 0.003427 0.007528 1Rh 3dxy 0.012862 0.000487 -0.000678 -0.000227 0.001128 0.009758 1Rh 4dz2 -0.006854 0.016078 0.021615 0.010411 -0.019476 0.000877 1Rh 4dxz 0.022041 0.014924 -0.033272 0.014526 0.001261 -0.003652 1Rh 4dyz -0.013807 -0.004100 0.005809 -0.037428 -0.000299 0.004370 1Rh 4dx2y2 0.007669 -0.015346 -0.040609 0.019269 0.026864 0.017100 1Rh 4dxy 0.006594 -0.004304 0.006700 -0.000881 -0.007015 0.003868 1Rh 5dz2 0.041268 -0.048076 -0.117986 -0.015675 0.060347 -0.021364 1Rh 5dxz -0.129762 -0.035102 0.164565 -0.042337 0.014290 -0.006635 1Rh 5dyz 0.044836 0.024036 -0.008925 0.164774 -0.000718 -0.023928 1Rh 5dx2y2 -0.014174 0.039001 0.169973 -0.080396 -0.101617 -0.031221 1Rh 5dxy -0.043388 0.006519 -0.034342 0.000420 0.043067 0.000837 1Rh 1f0 0.027217 0.000945 -0.025581 0.013632 -0.009550 0.010696 1Rh 1f+1 -0.003689 0.014063 -0.042375 0.044259 -0.005190 -0.015826 1Rh 1f-1 -0.024758 0.002153 0.013342 -0.007946 -0.010049 0.012288 1Rh 1f+2 -0.030522 0.004913 -0.058032 -0.013078 0.039092 0.022330 1Rh 1f-2 -0.039116 -0.011505 0.007985 -0.006436 0.012947 -0.010829 1Rh 1f+3 -0.033709 0.016523 -0.024182 -0.006011 0.010427 -0.011811 1Rh 1f-3 0.009698 -0.013154 -0.023302 -0.004828 -0.000791 0.016498 2C 1s -0.034579 0.007366 -0.002262 -0.032334 0.003407 -0.001368 2C 2s -0.107194 0.022445 -0.007771 -0.098388 0.011808 -0.003866 2C 3s 1.304261 -0.247892 0.124786 1.068854 -0.158323 0.041358 2C 4s -3.749865 0.624544 -0.366889 -2.653390 0.491369 -0.106868 2C 5s 3.713660 -0.629453 1.095232 4.275165 0.004510 0.302392 2C 1pz -0.150570 -0.083738 -0.054720 -0.263669 0.061724 -0.012466 2C 1px -0.102830 0.049599 0.023497 -0.172464 0.035978 0.027751 2C 1py -0.250702 0.232584 0.032769 0.092522 -0.068964 -0.014977 2C 2pz 0.253280 0.255282 0.053922 1.001442 -0.091600 0.043451 2C 2px 0.125254 -0.192580 -0.014706 0.490442 -0.009529 -0.025503 2C 2py 0.539740 -0.761838 -0.148104 -0.148857 0.317289 0.063682 2C 3pz 0.042211 -0.199609 0.034498 0.071901 0.168257 -0.015532 2C 3px -0.228298 0.110015 0.039295 -0.235210 0.153020 0.052423 2C 3py -0.098176 0.376950 0.307062 0.491960 -0.176666 0.060134 2C 1dz2 -0.002277 -0.008031 -0.004504 -0.003728 0.002478 0.001584 2C 1dxz 0.006465 0.002168 -0.004136 -0.003474 -0.004298 -0.004595 2C 1dyz 0.013749 0.000325 0.006607 0.003293 -0.004895 0.000203 2C 1dx2y2 -0.006257 -0.005105 -0.003585 -0.000509 0.002711 -0.001887 2C 1dxy 0.001049 0.004332 -0.002494 0.008271 -0.006123 -0.003722 2C 2dz2 0.260933 -0.095544 -0.039267 0.152392 0.012078 -0.039020 2C 2dxz 0.000540 -0.112979 0.130946 -0.123191 0.165434 0.077081 2C 2dyz 0.249959 -0.134290 -0.085759 0.379041 -0.005412 0.013342 2C 2dx2y2 0.013470 -0.113734 -0.033856 -0.182745 0.023915 -0.048348 2C 2dxy -0.156241 0.177924 0.060181 0.206741 -0.006305 0.056099 2C 1f0 -0.013653 -0.016787 -0.015280 -0.032187 -0.000773 -0.005632 2C 1f+1 -0.022033 0.010403 -0.003125 -0.001930 -0.011811 -0.008861 2C 1f-1 -0.053526 0.013178 -0.008489 -0.033157 0.007941 0.004169 2C 1f+2 0.068785 -0.015445 0.011342 0.048163 0.006039 0.022774 2C 1f-2 -0.078430 0.009036 0.001719 -0.069958 0.019968 0.012159 2C 1f+3 0.055402 -0.022587 0.007402 0.040359 -0.001848 -0.002718 2C 1f-3 0.018390 -0.002812 -0.005307 0.018543 0.016473 0.023711 3C 1s -0.021580 -0.026659 -0.028877 -0.025154 -0.002677 0.003225 3C 2s -0.067395 -0.080934 -0.089432 -0.075979 -0.006649 0.009773 3C 3s 0.789870 0.890134 1.077687 0.828795 0.071004 -0.106924 3C 4s -2.088460 -2.231512 -3.079395 -2.040761 -0.152456 0.251896 3C 5s 3.608428 3.413184 3.473461 3.853636 0.705508 -0.421565 3C 1pz -0.077438 -0.025339 -0.164127 -0.196122 -0.082728 -0.018114 3C 1px -0.029834 -0.041968 -0.155096 -0.280536 -0.079191 -0.037936 3C 1py 0.107323 0.202134 0.128314 -0.007213 -0.012166 -0.055169 3C 2pz 0.214127 0.171103 0.336918 0.722737 0.333577 0.013125 3C 2px 0.040134 0.146059 0.548331 0.949823 0.284866 0.132610 3C 2py -0.245234 -0.769482 -0.172148 -0.146531 -0.088506 0.215877 3C 3pz 0.319934 0.284441 -0.011289 0.074969 -0.152003 -0.078048 3C 3px 0.129727 0.075670 -0.077264 -0.265665 -0.138216 -0.102700 3C 3py -0.153174 0.001969 -0.098797 -0.457406 -0.217199 -0.050307 3C 1dz2 0.008170 0.004382 0.006343 0.006200 0.000471 0.000895 3C 1dxz 0.001478 0.001039 -0.000277 -0.006130 -0.002612 -0.004483 3C 1dyz -0.007194 -0.005106 -0.010705 -0.003108 0.001420 -0.000947 3C 1dx2y2 0.000654 0.003146 -0.010325 -0.006704 -0.002652 -0.002230 3C 1dxy -0.005756 -0.003523 0.000230 0.001093 0.004197 0.001807 3C 2dz2 -0.007068 -0.077435 -0.032765 0.026855 -0.025721 0.011768 3C 2dxz 0.038883 0.156754 0.048184 -0.154872 -0.013184 -0.097909 3C 2dyz 0.016521 -0.248466 -0.078844 -0.141646 -0.038138 0.051873 3C 2dx2y2 -0.166173 -0.184846 -0.126018 -0.368840 -0.148121 -0.010131 3C 2dxy -0.098048 -0.142938 -0.266242 -0.268359 -0.111721 0.015675 3C 1f0 -0.013779 -0.007673 -0.015329 -0.027776 -0.009721 0.001359 3C 1f+1 -0.009658 -0.012280 -0.009778 -0.015160 0.013324 0.000332 3C 1f-1 -0.015804 -0.031429 -0.019186 -0.012974 -0.005336 0.005241 3C 1f+2 0.053820 0.069381 0.089134 0.065790 0.009873 -0.008523 3C 1f-2 0.041603 0.048648 0.056531 0.043549 0.019746 -0.008774 3C 1f+3 -0.017927 -0.008014 -0.020760 -0.033466 -0.003718 -0.003341 3C 1f-3 0.008736 -0.000447 0.000715 -0.012805 0.006732 -0.004382 4C 1s 0.017821 -0.002309 0.004224 0.010747 -0.003254 -0.000385 4C 2s 0.057245 -0.007620 0.013911 0.035864 -0.009374 -0.000929 4C 3s -0.765264 0.108153 -0.227146 -0.550500 0.107939 -0.006909 4C 4s 1.760030 -0.261171 0.517035 1.558830 -0.154208 0.065965 4C 5s -1.847647 -0.043212 0.529785 -1.379631 0.028224 -0.042504 4C 1pz -0.039729 0.058440 0.085077 -0.011940 -0.080633 -0.004764 4C 1px 0.033552 0.027938 0.031587 0.000730 -0.026531 0.045883 4C 1py -0.060695 -0.090533 -0.152486 -0.020392 0.178831 0.009789 4C 2pz 0.516360 -0.234021 -0.404399 0.629984 0.128441 0.036428 4C 2px -0.967146 -0.100506 0.648135 -0.166272 0.255955 -0.011961 4C 2py 0.089218 0.055707 0.378573 0.348200 -0.127434 0.021248 4C 3pz -0.442889 0.128417 1.260853 0.658502 0.191582 0.238124 4C 3px 0.354581 -0.012742 0.057236 0.256536 -0.532458 -0.222206 4C 3py -0.337275 -0.079568 0.500786 0.364240 0.306262 -0.090503 4C 1dz2 0.012358 -0.001173 0.010625 -0.005564 0.001451 -0.001402 4C 1dxz 0.003263 0.002052 0.002922 -0.004647 0.003609 0.003822 4C 1dyz -0.000214 0.002701 0.001742 0.000041 -0.008050 -0.000160 4C 1dx2y2 0.008516 0.003691 0.007376 0.015883 0.008472 0.003502 4C 1dxy 0.004537 -0.010409 -0.000493 -0.004952 0.000556 -0.000475 4C 2dz2 0.411135 0.123491 -0.216537 -0.049338 -0.217328 -0.134917 4C 2dxz -0.578382 -0.015130 0.304849 -0.374386 0.224922 0.127509 4C 2dyz 0.152750 0.017632 0.059717 -0.118322 -0.090279 -0.004970 4C 2dx2y2 0.015697 -0.036596 0.210356 0.256301 0.075290 0.021468 4C 2dxy -0.360624 -0.123964 0.478638 -0.020686 0.198103 0.131201 4C 1f0 -0.026915 -0.015767 -0.009761 -0.018586 0.002974 0.000253 4C 1f+1 -0.038433 0.025622 -0.005766 -0.028878 -0.006630 -0.005456 4C 1f-1 -0.008478 0.006970 -0.008133 -0.015450 0.005210 0.005331 4C 1f+2 0.048969 0.004775 -0.002356 0.031380 -0.009952 0.002621 4C 1f-2 -0.007606 -0.008062 -0.000635 -0.004396 0.005717 -0.001958 4C 1f+3 0.016199 -0.013234 -0.024237 0.003904 -0.008595 -0.011478 4C 1f-3 -0.008026 -0.000986 -0.025672 -0.020752 0.011007 0.002640 5C 1s 0.005909 0.007594 0.014355 0.007118 0.002228 -0.001483 5C 2s 0.020076 0.025663 0.046094 0.024645 0.007998 -0.004966 5C 3s -0.383691 -0.404759 -0.628981 -0.411796 -0.127735 0.083816 5C 4s 0.941147 1.049361 1.439351 1.139989 0.469057 -0.245759 5C 5s -0.121842 -1.048539 -1.904006 -1.106810 -0.435222 0.421976 5C 1pz -0.153661 -0.094484 -0.008473 -0.035028 0.148222 0.016827 5C 1px -0.023794 -0.022126 -0.034808 0.037778 0.080282 -0.014844 5C 1py -0.089499 -0.050008 0.048498 0.001947 0.103104 -0.007149 5C 2pz 0.349745 0.426142 -0.144443 0.356069 0.040168 -0.085927 5C 2px 0.011004 0.224502 1.002860 0.064435 -0.202535 -0.020515 5C 2py 0.074873 -0.347836 -0.071752 -0.462837 -0.428102 0.122044 5C 3pz 0.686711 0.101895 -0.082560 0.532955 0.330863 0.097163 5C 3px 0.520372 0.148029 -0.353070 0.250899 -0.041151 0.011827 5C 3py -1.641150 -0.509638 0.096962 -0.939599 0.106161 -0.031189 5C 1dz2 -0.011631 -0.004266 -0.008010 -0.016099 -0.008912 -0.000592 5C 1dxz -0.008070 -0.008722 -0.002350 0.002127 -0.005073 0.004440 5C 1dyz 0.000076 -0.000337 -0.003430 0.001683 0.006984 0.000095 5C 1dx2y2 -0.008725 0.002076 -0.006632 0.003178 0.001130 0.001492 5C 1dxy -0.003546 0.002459 0.000017 0.008735 -0.002572 -0.001215 5C 2dz2 -0.243875 -0.095999 -0.265115 -0.157156 -0.013051 -0.002630 5C 2dxz -0.135611 -0.236777 0.246203 -0.178956 -0.141929 0.059951 5C 2dyz -0.174904 0.018106 0.160492 0.042925 0.059174 0.017679 5C 2dx2y2 0.184796 0.235131 0.373332 0.366251 0.123967 -0.021120 5C 2dxy 0.095270 0.106227 -0.643771 0.061756 0.074894 -0.099739 5C 1f0 0.008990 0.006397 0.005399 -0.010641 -0.009729 0.000223 5C 1f+1 -0.016192 -0.024449 -0.023449 -0.004189 0.009426 0.003244 5C 1f-1 -0.003814 -0.002620 0.011337 0.006229 -0.003115 -0.001903 5C 1f+2 0.005735 0.000289 -0.003254 0.002492 -0.009167 -0.001445 5C 1f-2 0.024808 0.022934 -0.000066 0.012918 0.007766 -0.001586 5C 1f+3 -0.012684 -0.006458 -0.056042 -0.039782 -0.007530 0.005427 5C 1f-3 0.028673 0.032155 0.028116 0.019162 0.010554 -0.006779 6C 1s 0.005787 -0.005492 0.015283 -0.007050 0.002253 0.002394 6C 2s 0.019689 -0.018918 0.049286 -0.024353 0.008181 0.008129 6C 3s -0.379039 0.312189 -0.682741 0.403836 -0.135047 -0.138100 6C 4s 0.931405 -0.836595 1.582722 -1.114787 0.497347 0.422539 6C 5s -0.134780 0.748479 -2.042405 1.057555 -0.440890 -0.516380 6C 1pz 0.152311 -0.094646 0.023763 -0.036679 -0.152024 0.001796 6C 1px 0.020772 -0.016832 0.038103 0.036278 -0.083662 -0.035511 6C 1py 0.087047 -0.058411 -0.038745 0.001047 -0.104930 -0.019518 6C 2pz -0.346713 0.448917 0.074385 0.350347 -0.040409 -0.140988 6C 2px 0.001265 0.070239 -1.022150 0.045065 0.201836 0.084900 6C 2py -0.074865 -0.330886 0.124107 -0.452873 0.440827 0.227782 6C 3pz -0.689247 0.117166 0.061763 0.514459 -0.367928 -0.009532 6C 3px -0.515742 0.207542 0.324960 0.249441 0.029203 -0.001293 6C 3py 1.638100 -0.537399 -0.008894 -0.916815 -0.053024 0.074358 6C 1dz2 -0.011781 0.003289 -0.008615 0.015158 -0.009764 -0.000769 6C 1dxz -0.007944 0.008380 -0.003765 -0.002744 -0.004776 -0.004943 6C 1dyz 0.000232 -0.000246 -0.003472 -0.001075 0.007117 0.000804 6C 1dx2y2 -0.008729 -0.002960 -0.006454 -0.003692 0.001568 -0.000110 6C 1dxy -0.003405 -0.002432 0.000443 -0.008862 -0.001993 0.000357 6C 2dz2 -0.244154 0.058466 -0.276008 0.147626 -0.020168 -0.003460 6C 2dxz -0.131022 0.272710 0.202860 0.176324 -0.143424 -0.107878 6C 2dyz -0.172699 0.008496 0.157926 -0.033836 0.063521 -0.025733 6C 2dx2y2 0.182962 -0.177683 0.403628 -0.350266 0.140440 0.058116 6C 2dxy 0.090607 -0.202743 -0.612767 -0.071898 0.066908 0.149246 6C 1f0 -0.009096 0.005527 -0.006062 -0.010861 0.009911 0.003365 6C 1f+1 0.015794 -0.020867 0.026849 -0.004223 -0.009626 0.001340 6C 1f-1 0.003877 -0.004394 -0.010927 0.006350 0.002874 -0.001442 6C 1f+2 -0.005761 0.000761 0.003008 0.003075 0.009242 -0.000471 6C 1f-2 -0.024717 0.022880 -0.003350 0.012871 -0.008054 -0.006519 6C 1f+3 0.013203 0.001825 0.056138 -0.038610 0.009208 0.007532 6C 1f-3 -0.027986 0.027816 -0.033073 0.018222 -0.010797 -0.009855 7C 1s 0.018197 0.002789 0.004084 -0.010597 -0.002720 0.000934 7C 2s 0.058427 0.009188 0.013509 -0.035345 -0.007608 0.002857 7C 3s -0.779623 -0.133082 -0.222834 0.543689 0.082341 -0.020572 7C 4s 1.798202 0.316841 0.506834 -1.537199 -0.086754 0.028706 7C 5s -1.846140 0.158117 0.456660 1.375396 -0.035435 -0.030955 7C 1pz 0.041590 0.046982 -0.093193 -0.009206 0.082925 0.000851 7C 1px -0.031158 0.024786 -0.036694 0.000913 0.025981 0.054540 7C 1py 0.057515 -0.070402 0.165581 -0.024523 -0.178786 -0.007086 7C 2pz -0.527269 -0.168677 0.416643 0.620284 -0.161382 0.010533 7C 2px 0.963905 -0.206329 -0.621208 -0.176148 -0.246761 -0.069628 7C 2py -0.088468 0.005677 -0.395797 0.342898 0.114780 0.013321 7C 3pz 0.456522 -0.056404 -1.304044 0.640994 -0.217898 0.293997 7C 3px -0.363574 -0.015008 -0.057684 0.281442 0.525617 -0.190870 7C 3py 0.334059 -0.157868 -0.505564 0.362565 -0.301790 -0.098889 7C 1dz2 0.012124 0.002581 0.010357 0.006251 0.001009 0.001453 7C 1dxz 0.002983 -0.001909 0.003083 0.004976 0.003527 -0.004284 7C 1dyz -0.000033 -0.002330 0.002027 -0.000579 -0.007937 -0.000963 7C 1dx2y2 0.008594 -0.002699 0.008233 -0.015042 0.009223 -0.002081 7C 1dxy 0.004541 0.009996 -0.001781 0.005032 0.000223 0.000195 7C 2dz2 0.410092 -0.156711 -0.200634 0.040828 -0.224043 0.113629 7C 2dxz -0.582620 0.063989 0.291596 0.380558 0.211035 -0.106444 7C 2dyz 0.153668 -0.010084 0.056949 0.113566 -0.094509 -0.006178 7C 2dx2y2 0.016570 0.064861 0.212882 -0.249957 0.083094 -0.006391 7C 2dxy -0.362365 0.195274 0.458460 0.032414 0.200524 -0.114304 7C 1f0 0.026961 -0.014329 0.012407 -0.017868 -0.002087 0.000075 7C 1f+1 0.038960 0.025518 0.002757 -0.027960 0.008061 -0.003136 7C 1f-1 0.008861 0.007947 0.007626 -0.015847 -0.004659 0.006367 7C 1f+2 -0.049352 0.005626 0.000775 0.031260 0.008110 0.003573 7C 1f-2 0.007693 -0.008056 0.001970 -0.004890 -0.005519 -0.002812 7C 1f+3 -0.016471 -0.009523 0.025969 0.004614 0.009141 -0.012120 7C 1f-3 0.008845 0.002754 0.025964 -0.021275 -0.010479 0.004367 8C 1s -0.021477 0.022111 -0.032636 0.024363 -0.003503 -0.005228 8C 2s -0.067099 0.066865 -0.100817 0.073608 -0.009129 -0.015638 8C 3s 0.786202 -0.722538 1.201828 -0.802888 0.096913 0.171589 8C 4s -2.079334 1.757544 -3.385466 1.976124 -0.214682 -0.407017 8C 5s 3.603281 -2.878884 3.965043 -3.725050 0.841333 0.814965 8C 1pz 0.076604 -0.000972 0.173086 -0.192123 0.093419 -0.002032 8C 1px 0.033199 -0.021281 0.160319 -0.274875 0.092541 -0.012778 8C 1py -0.103998 0.180516 -0.154185 -0.009906 0.019067 -0.059568 8C 2pz -0.209794 0.118148 -0.381586 0.707503 -0.369016 -0.059398 8C 2px -0.051655 0.069924 -0.563127 0.926272 -0.332435 0.049938 8C 2py 0.234457 -0.733583 0.278352 -0.131574 0.072754 0.258127 8C 3pz -0.319947 0.287876 -0.023491 0.070139 0.156528 -0.084444 8C 3px -0.122329 0.082309 0.063273 -0.261850 0.154005 -0.072762 8C 3py 0.158471 0.014198 0.104284 -0.447371 0.245030 0.004120 8C 1dz2 0.008301 -0.003617 0.006987 -0.005583 0.000782 -0.000837 8C 1dxz 0.001294 -0.001078 -0.000057 0.006249 -0.003258 0.003608 8C 1dyz -0.007252 0.003589 -0.011217 0.002871 0.001316 0.001048 8C 1dx2y2 0.000516 -0.004754 -0.009718 0.006532 -0.003111 0.001523 8C 1dxy -0.005521 0.003501 -0.000624 -0.000886 0.004519 -0.000779 8C 2dz2 -0.005958 0.071093 -0.043283 -0.026988 -0.023638 -0.011811 8C 2dxz 0.033014 -0.146356 0.069120 0.158623 -0.026771 0.096577 8C 2dyz 0.018065 0.232946 -0.111242 0.141166 -0.038732 -0.073250 8C 2dx2y2 -0.163681 0.166333 -0.158684 0.356211 -0.161443 -0.025582 8C 2dxy -0.098737 0.102098 -0.288609 0.258863 -0.123593 -0.041896 8C 1f0 0.014058 -0.005629 0.017165 -0.027116 0.010852 0.004447 8C 1f+1 0.008643 -0.009651 0.010283 -0.014100 -0.013456 -0.003479 8C 1f-1 0.015415 -0.028136 0.023023 -0.011866 0.004977 0.006250 8C 1f+2 -0.053142 0.055314 -0.098418 0.063796 -0.011467 -0.013184 8C 1f-2 -0.041635 0.040814 -0.064526 0.042646 -0.021025 -0.017055 8C 1f+3 0.017716 -0.004759 0.021568 -0.032371 0.005100 -0.001764 8C 1f-3 -0.008902 -0.000074 -0.001166 -0.013154 -0.006355 -0.005594 9C 1s -0.035138 -0.007003 -0.002514 0.032370 0.001651 0.000087 9C 2s -0.108915 -0.021440 -0.008518 0.098567 0.006431 0.000063 9C 3s 1.323617 0.241490 0.131315 -1.070460 -0.100278 -0.000399 9C 4s -3.800368 -0.611417 -0.380823 2.657279 0.347249 0.004827 9C 5s 3.747583 0.708880 1.184902 -4.252344 0.209589 -0.196791 9C 1pz 0.152164 -0.076720 0.071220 -0.263303 -0.047337 -0.012707 9C 1px 0.104571 0.038032 -0.018077 -0.180378 -0.028376 0.031680 9C 1py 0.253461 0.221364 -0.062047 0.096227 0.063286 -0.000173 9C 2pz -0.257363 0.249381 -0.115376 0.997063 0.039983 0.036426 9C 2px -0.130245 -0.165908 0.004989 0.509977 -0.013773 -0.045979 9C 2py -0.547446 -0.721397 0.241293 -0.162522 -0.305912 0.007094 9C 3pz -0.043231 -0.200627 -0.018552 0.069726 -0.163022 -0.028341 9C 3px 0.230764 0.088822 -0.035747 -0.251690 -0.140552 0.047103 9C 3py 0.105462 0.329550 -0.368919 0.491263 0.148587 0.095365 9C 1dz2 -0.002226 0.007303 -0.005791 0.003369 0.002414 -0.001517 9C 1dxz 0.006436 -0.002761 -0.004029 0.003334 -0.004708 0.004407 9C 1dyz 0.013774 0.000470 0.006882 -0.003096 -0.004697 -0.000589 9C 1dx2y2 -0.005921 0.004862 -0.004358 0.000605 0.002774 0.002739 9C 1dxy 0.001239 -0.004433 -0.001936 -0.008605 -0.005748 0.003225 9C 2dz2 0.262400 0.082623 -0.043590 -0.149374 0.014134 0.055311 9C 2dxz -0.004500 0.130141 0.113609 0.138751 0.156564 -0.060370 9C 2dyz 0.259795 0.117763 -0.089233 -0.375882 0.017877 0.003476 9C 2dx2y2 0.016704 0.109779 -0.050874 0.189534 0.012340 0.056819 9C 2dxy -0.153450 -0.160078 0.085780 -0.206870 0.008602 -0.060381 9C 1f0 0.013421 -0.014681 0.018150 -0.031770 0.002401 -0.005259 9C 1f+1 0.022269 0.010044 0.002131 -0.001356 0.012580 -0.009275 9C 1f-1 0.053816 0.013541 0.007704 -0.032373 -0.006419 0.006981 9C 1f+2 -0.071796 -0.016126 -0.010958 0.049169 -0.009545 0.022155 9C 1f-2 0.078370 0.007213 -0.000209 -0.069913 -0.017877 0.016322 9C 1f+3 -0.054654 -0.022347 -0.006006 0.038712 0.001158 -0.007169 9C 1f-3 -0.021544 -0.002241 0.004696 0.019323 -0.019331 0.025052 10H 1s -0.057382 0.000417 -0.001989 -0.038310 0.003226 -0.003796 10H 2s 0.614842 0.024998 0.212687 0.454085 0.013662 0.118878 10H 3s -0.757451 0.013677 -0.140787 -0.642131 0.006995 -0.077854 10H 1pz 0.144641 -0.003466 0.038326 0.144573 0.112304 0.196456 10H 1px -0.076114 -0.012566 -0.016479 -0.034321 0.036808 0.035076 10H 1py 0.011847 -0.071167 -0.019420 -0.017101 -0.160630 -0.288794 11H 1s -0.050925 -0.005048 -0.008815 -0.062588 0.011109 -0.006789 11H 2s 0.603611 0.199395 0.030333 1.209894 -0.297223 -0.000226 11H 3s -0.848454 -0.068610 -0.185577 -1.273003 0.218002 -0.054877 11H 1pz 0.067249 0.023272 -0.004678 0.106429 -0.127692 -0.163075 11H 1px 0.146015 -0.026896 -0.006436 0.159208 0.155435 0.267051 11H 1py 0.011015 -0.110351 -0.069953 -0.152943 0.151630 0.162023 12H 1s -0.052694 0.035178 0.001061 -0.027541 -0.010984 0.000513 12H 2s 1.079487 -0.740783 -0.049550 0.254507 0.094917 -0.022805 12H 3s -1.088631 0.608961 0.034552 -0.566032 -0.112444 -0.025314 12H 1pz -0.028752 0.105976 0.052013 0.083866 -0.042641 -0.019622 12H 1px 0.032667 -0.026173 0.032822 0.072982 -0.207500 -0.319875 12H 1py 0.226155 -0.129270 -0.024752 0.070091 0.113627 0.149976 13H 1s -0.028034 -0.038394 -0.032102 -0.031381 -0.017647 0.014378 13H 2s 0.552208 0.604710 0.556221 0.287334 0.113905 -0.175279 13H 3s -0.601721 -0.678716 -0.694094 -0.437718 -0.078163 0.158270 13H 1pz 0.036324 0.080072 0.120468 0.174964 -0.081993 0.032580 13H 1px -0.078656 -0.057454 -0.010780 0.089977 -0.055014 0.049878 13H 1py -0.098782 -0.096894 -0.072564 -0.026046 -0.112888 0.044597 14H 1s -0.026652 -0.031765 -0.064562 -0.067373 -0.019540 -0.002091 14H 2s 0.487003 0.422069 0.879988 1.238993 0.306303 0.108021 14H 3s -0.549834 -0.564709 -0.950599 -1.168364 -0.346960 -0.053833 14H 1pz 0.053566 0.025035 0.068863 0.007364 0.177109 -0.043389 14H 1px 0.079060 0.100984 0.183214 0.273246 -0.036162 0.029684 14H 1py -0.040669 -0.062107 0.026797 0.067871 0.074199 0.025442 15H 1s -0.019173 -0.047116 -0.040096 -0.019086 -0.006536 0.007170 15H 2s 0.241939 0.670343 0.444058 0.057706 -0.079922 -0.159177 15H 3s -0.638606 -0.854897 -0.682478 -0.466208 0.014304 0.155717 15H 1pz -0.077481 -0.100918 -0.036620 0.013987 0.011510 0.034515 15H 1px 0.007602 -0.003446 0.061095 0.018139 0.203571 -0.036508 15H 1py -0.037553 -0.119939 -0.081121 -0.057041 0.046708 0.001659 16H 1s -0.041682 0.041504 0.050625 0.025317 0.012957 -0.009555 16H 2s 0.122133 -0.369845 -0.105395 -0.122074 -0.085409 0.141804 16H 3s -0.083123 0.052453 -0.095804 0.036233 0.029158 -0.035770 16H 1pz 0.044618 -0.033574 -0.042718 -0.006539 -0.022659 0.013588 16H 1px -0.091320 0.008296 0.023481 0.065430 0.082976 -0.017879 16H 1py -0.009869 -0.004922 -0.017234 -0.015334 0.035577 -0.024680 17H 1s 0.024403 0.002556 -0.058424 -0.026730 -0.000024 -0.018659 17H 2s -0.122681 -0.187735 0.302432 0.123387 -0.064499 0.224904 17H 3s -0.121219 0.017022 -0.075909 -0.025636 -0.007106 -0.078640 17H 1pz 0.021810 0.041288 0.007467 0.029082 -0.022712 -0.021159 17H 1px 0.006022 -0.025795 -0.107442 -0.045199 0.029338 0.000823 17H 1py -0.002132 0.011142 -0.030240 0.011045 0.022524 0.009678 18H 1s 0.023015 -0.011742 -0.055520 0.026095 -0.001981 0.019101 18H 2s -0.108320 0.232925 0.253865 -0.120652 -0.049497 -0.242707 18H 3s -0.123855 -0.026531 -0.068710 0.025448 -0.009681 0.066434 18H 1pz -0.019857 0.038822 -0.016157 0.029951 0.022970 -0.015771 18H 1px -0.005761 -0.008921 0.108497 -0.045860 -0.028598 -0.008179 18H 1py 0.001603 0.016298 0.027686 0.010912 -0.024099 0.000481 19H 1s -0.043859 -0.031842 0.059616 -0.024073 0.014696 0.011627 19H 2s 0.138678 0.343463 -0.185834 0.118333 -0.089792 -0.171269 19H 3s -0.086200 -0.063437 -0.080197 -0.035825 0.029850 0.036077 19H 1pz -0.046386 -0.025531 0.049409 -0.004277 0.023522 0.016619 19H 1px 0.091069 0.002176 -0.026610 0.060759 -0.087881 -0.028955 19H 1py 0.008934 -0.002775 0.019851 -0.016789 -0.034155 -0.030024 20H 1s -0.018599 0.040898 -0.046301 0.018120 -0.006501 -0.009952 20H 2s 0.237115 -0.597210 0.524202 -0.053324 -0.093661 0.175272 20H 3s -0.635672 0.746997 -0.794148 0.447388 0.009054 -0.208684 20H 1pz 0.076987 -0.095356 0.048551 0.016232 -0.016898 0.038190 20H 1px -0.009212 -0.008905 -0.061512 0.012749 -0.207456 -0.103099 20H 1py 0.036262 -0.105666 0.096601 -0.057515 -0.047668 -0.011678 21H 1s -0.026548 0.021938 -0.068959 0.065501 -0.022427 -0.003401 21H 2s 0.491391 -0.292815 0.944462 -1.210740 0.364088 -0.011492 21H 3s -0.555452 0.421913 -1.032122 1.136196 -0.399596 -0.058976 21H 1pz -0.052678 0.016661 -0.075882 0.003732 -0.179171 -0.099937 21H 1px -0.080299 0.072795 -0.196716 0.269130 0.027120 0.042377 21H 1py 0.038536 -0.064377 -0.019023 0.068333 -0.081304 0.003737 22H 1s -0.027643 0.033341 -0.038173 0.030059 -0.017705 -0.019306 22H 2s 0.539371 -0.515020 0.651987 -0.268671 0.112785 0.214878 22H 3s -0.592032 0.567123 -0.797364 0.416496 -0.084649 -0.197215 22H 1pz -0.035578 0.059090 -0.131689 0.175172 0.076515 0.063988 22H 1px 0.075509 -0.055645 0.021216 0.091014 0.049001 0.070384 22H 1py 0.098321 -0.087187 0.086644 -0.020053 0.112813 0.085823 23H 1s -0.053803 -0.033941 0.004591 0.026741 -0.011713 -0.005434 23H 2s 1.094411 0.702740 -0.124847 -0.243705 0.102700 0.087578 23H 3s -1.101763 -0.574337 0.080616 0.559511 -0.138746 -0.033221 23H 1pz 0.029976 0.096167 -0.065476 0.083403 0.039030 -0.015523 23H 1px -0.030394 -0.028439 -0.034654 0.087893 0.233254 -0.360412 23H 1py -0.229050 -0.119901 0.037247 0.061833 -0.126331 0.150713 24H 1s -0.051465 0.004519 -0.011806 0.062374 0.007416 0.006772 24H 2s 0.622656 -0.203208 0.094616 -1.228068 -0.226918 0.004770 24H 3s -0.861225 0.058360 -0.239216 1.279175 0.146576 0.045536 24H 1pz -0.068394 0.023269 -0.001778 0.113668 0.137447 -0.185709 24H 1px -0.148625 -0.018751 0.001176 0.152002 -0.183635 0.289076 24H 1py -0.012507 -0.098394 0.087895 -0.160132 -0.159528 0.178711 25H 1s -0.057355 0.000227 -0.003307 0.037728 0.001821 0.003883 25H 2s 0.616097 0.002213 0.223252 -0.440112 0.036461 -0.102452 25H 3s -0.762915 -0.025595 -0.157488 0.632013 -0.025102 0.051179 25H 1pz -0.145720 -0.005020 -0.042887 0.135213 -0.135389 0.213691 25H 1px 0.075929 -0.008157 0.015936 -0.033314 -0.042403 0.047434 25H 1py -0.011668 -0.068889 0.027774 -0.004155 0.185595 -0.325176 26O 1s -0.004042 -0.000149 0.002928 -0.003276 0.002689 0.004074 26O 2s -0.011439 0.000489 0.007369 -0.009001 0.006745 0.010248 26O 3s 0.035075 -0.021715 0.012881 0.039642 -0.006021 -0.011610 26O 4s 0.096585 0.124965 -0.236541 0.008163 -0.140051 -0.190067 26O 5s 1.049157 0.175228 -1.716927 -0.746259 -0.271509 0.190353 26O 1pz 0.036266 -0.035271 -0.053930 0.023584 0.006092 -0.008826 26O 1px -0.043761 -0.031107 0.025746 -0.009889 0.032796 0.020564 26O 1py -0.002875 0.065728 0.011489 -0.010548 -0.018870 -0.003617 26O 2pz -0.040597 -0.015235 0.055700 0.038784 0.019532 0.008770 26O 2px -0.189710 -0.090761 0.381484 0.083292 0.120696 0.084835 26O 2py -0.104601 -0.019537 0.173981 0.063742 0.082579 0.030351 26O 3pz 0.357020 0.115110 -0.214151 0.103549 -0.341338 -0.149821 26O 3px -0.120670 0.103927 0.103522 0.320935 -0.087211 -0.186136 26O 3py 0.243453 -0.182144 -0.373960 0.105854 -0.172980 -0.065172 26O 1dz2 0.004510 0.000836 -0.002061 -0.000784 -0.001439 -0.000946 26O 1dxz -0.000715 -0.000922 -0.000097 0.002041 -0.000803 -0.000481 26O 1dyz 0.001654 0.000899 -0.000068 0.001310 -0.000880 -0.001010 26O 1dx2y2 -0.003152 -0.001527 0.002435 -0.001384 0.000142 0.001023 26O 1dxy -0.002866 0.000267 -0.000006 0.000586 0.002522 0.000783 26O 2dz2 -0.051198 0.250986 0.177653 0.012945 -0.099619 0.055996 26O 2dxz -0.056307 0.043166 0.003289 -0.002637 -0.081064 -0.063777 26O 2dyz 0.025152 -0.157693 -0.078465 -0.014767 0.049547 -0.010612 26O 2dx2y2 0.024870 0.063760 -0.080322 -0.048403 -0.091043 0.009197 26O 2dxy 0.027418 0.154915 0.028468 0.019598 -0.001273 0.022608 26O 1f0 -0.001820 0.000807 -0.001500 -0.001976 0.000774 0.000260 26O 1f+1 -0.002059 -0.000656 -0.007058 -0.004476 0.000724 -0.000356 26O 1f-1 -0.003558 -0.000190 0.000067 -0.003283 0.000033 0.000787 26O 1f+2 0.004666 -0.001813 -0.000008 0.001199 -0.002315 -0.000699 26O 1f-2 -0.000180 0.001260 0.001967 0.000098 -0.000719 0.000129 26O 1f+3 -0.000491 0.000974 -0.003350 -0.002757 0.001783 0.000637 26O 1f-3 -0.001825 0.003266 -0.004951 -0.004413 -0.000626 0.000028 27O 1s 0.001136 -0.000739 0.003242 0.000936 0.000937 -0.000540 27O 2s 0.002737 -0.003155 0.005840 0.000951 0.001485 -0.001509 27O 3s 0.009498 0.040631 0.072581 0.038865 0.013607 0.004321 27O 4s -0.090912 -0.130644 -0.600550 -0.243024 -0.126952 -0.017572 27O 5s -0.971197 -0.729648 -0.771150 -0.613130 0.273917 0.133664 27O 1pz 0.009129 0.056652 -0.064732 -0.034841 -0.009026 0.008702 27O 1px 0.009991 0.006760 0.019242 0.004854 0.001957 -0.000447 27O 1py 0.019007 0.033363 0.031228 -0.012508 -0.027293 0.005495 27O 2pz -0.001594 0.007817 -0.043064 -0.009492 0.025728 0.000372 27O 2px 0.170567 0.149833 0.548392 0.188263 0.008354 0.009906 27O 2py -0.059175 -0.042218 -0.107839 -0.072389 -0.002020 -0.002818 27O 3pz -0.206922 -0.122692 0.016607 0.055017 0.076674 -0.011110 27O 3px 0.033956 0.283903 -0.173354 0.239389 0.137384 -0.127477 27O 3py -0.060892 -0.077230 0.437795 0.166155 0.036010 0.028016 27O 1dz2 0.000578 -0.001208 -0.001047 -0.001896 -0.000704 0.000280 27O 1dxz -0.000360 0.001744 -0.002770 -0.000344 0.002550 -0.000651 27O 1dyz -0.000973 -0.000619 0.002009 0.000559 -0.000293 0.001036 27O 1dx2y2 -0.001137 -0.000547 0.002165 -0.000306 0.001860 0.000370 27O 1dxy -0.001892 -0.001341 0.004338 -0.001817 0.000770 0.001155 27O 2dz2 -0.105415 -0.153654 0.270566 0.206477 0.096686 -0.029148 27O 2dxz 0.081837 0.042003 0.015809 -0.046926 0.014085 0.003404 27O 2dyz 0.020173 0.105026 -0.075452 -0.067878 -0.085951 0.018561 27O 2dx2y2 -0.074942 -0.134872 -0.073203 0.067626 0.093794 -0.001152 27O 2dxy 0.071496 0.052717 -0.010046 -0.050619 0.046808 -0.022947 27O 1f0 0.000195 0.001531 0.002001 0.002343 -0.000727 -0.001411 27O 1f+1 -0.000937 -0.002171 -0.011051 -0.004267 -0.000430 0.000034 27O 1f-1 0.000059 0.001918 0.001912 0.001723 0.000073 0.000298 27O 1f+2 -0.001717 0.000508 -0.004162 0.000273 0.002190 -0.000454 27O 1f-2 0.000971 0.000595 0.000739 0.002303 -0.000380 -0.001192 27O 1f+3 -0.003737 -0.006085 -0.008988 -0.002394 0.000231 0.001162 27O 1f-3 0.004534 0.003240 0.005834 0.002262 -0.001487 -0.000481 28O 1s 0.002885 0.000116 -0.001813 0.000861 -0.001624 -0.003118 28O 2s 0.004144 0.000344 -0.004236 -0.000309 -0.003638 -0.008084 28O 3s 0.088470 -0.002117 -0.010010 0.065020 -0.011686 0.013663 28O 4s -0.628037 -0.022812 0.184942 -0.330929 0.189359 0.132612 28O 5s -0.770654 0.199280 0.042579 -0.984778 -0.019543 -0.226910 28O 1pz -0.026510 0.042609 0.035557 -0.009801 -0.008240 0.009036 28O 1px -0.043207 0.015604 0.048586 -0.016977 0.023382 0.026611 28O 1py -0.034643 -0.067256 -0.018363 0.011196 0.002039 -0.015499 28O 2pz 0.362911 0.016465 -0.093533 0.222799 -0.126311 -0.041281 28O 2px -0.462639 -0.006379 0.140400 -0.242104 0.129469 0.067926 28O 2py 0.054135 -0.015905 -0.022361 0.042957 0.011414 -0.009340 28O 3pz -0.341700 -0.219943 0.085659 0.080863 0.509148 0.241774 28O 3px 0.019957 0.120985 -0.036957 -0.287283 -0.155035 -0.218037 28O 3py -0.205020 0.023685 0.341328 -0.072307 0.141353 0.204766 28O 1dz2 -0.003118 0.000339 0.003143 0.001806 0.001274 0.001491 28O 1dxz -0.000203 -0.000767 0.003192 -0.002391 -0.000619 0.000171 28O 1dyz -0.002078 -0.002642 0.001241 0.001276 0.003690 0.001094 28O 1dx2y2 0.003099 -0.000062 -0.001310 0.000415 -0.001939 -0.000917 28O 1dxy 0.001235 0.001960 0.000486 -0.001141 -0.002632 -0.000175 28O 2dz2 -0.071388 -0.078845 -0.097383 0.070750 -0.055654 0.002524 28O 2dxz 0.164026 -0.135204 -0.171788 0.111142 -0.043664 -0.038270 28O 2dyz 0.029910 0.014375 0.035086 -0.065528 0.066078 -0.003552 28O 2dx2y2 -0.141582 -0.145407 -0.073840 0.003053 -0.014376 -0.061868 28O 2dxy 0.013212 0.120128 0.083715 0.021601 -0.068225 -0.026805 28O 1f0 -0.006663 0.003910 0.003153 -0.002462 -0.001042 0.000793 28O 1f+1 -0.007772 -0.001301 -0.003916 -0.003385 0.003746 0.000332 28O 1f-1 0.002851 0.000165 -0.002625 0.000718 -0.001176 -0.000884 28O 1f+2 0.012569 -0.000355 -0.002019 0.009856 -0.002229 0.000397 28O 1f-2 -0.001184 0.002862 0.002669 -0.002408 -0.001819 -0.000391 28O 1f+3 0.007766 0.000767 -0.002253 0.003983 -0.001020 0.000183 28O 1f-3 -0.000973 0.001048 0.000704 -0.001791 -0.001702 -0.000257 29O 1s -0.005983 0.003335 -0.005769 0.000716 0.003102 -0.003285 29O 2s -0.016347 0.008753 -0.014874 0.001825 0.007917 -0.008511 29O 3s 0.045006 -0.022492 0.023458 -0.002878 -0.012510 0.018353 29O 4s 0.156113 -0.148825 0.257009 -0.027085 -0.142083 0.144545 29O 5s -0.494727 0.745555 -0.741685 0.072057 0.442348 -0.612535 29O 1pz 0.000692 0.000227 0.015488 -0.013159 0.007212 0.006059 29O 1px -0.020159 0.002786 -0.008582 -0.001485 -0.012916 -0.002111 29O 1py 0.022901 0.008760 0.021008 -0.002215 -0.021197 0.001851 29O 2pz 0.090278 -0.058680 -0.107509 -0.058978 -0.035648 0.006379 29O 2px -0.005160 0.024413 -0.079705 -0.016207 0.018801 -0.036647 29O 2py 0.022036 -0.012844 0.018124 0.004164 -0.016235 0.014552 29O 3pz -0.220339 0.017683 0.002090 0.051790 0.141101 -0.100439 29O 3px 0.373033 -0.096796 0.401663 -0.036729 -0.193386 0.133748 29O 3py -0.118629 -0.252513 0.037255 0.011703 0.022383 0.151282 29O 1dz2 -0.000754 0.000770 0.000937 0.001081 0.000052 -0.000677 29O 1dxz 0.001501 0.000022 -0.002443 -0.002419 -0.001826 0.000899 29O 1dyz 0.000032 -0.001063 -0.001485 -0.000492 -0.000126 0.000706 29O 1dx2y2 0.001860 -0.001109 -0.000171 -0.000872 0.000459 0.000618 29O 1dxy 0.002325 0.001885 0.000524 -0.000227 -0.001047 -0.000758 29O 2dz2 -0.031194 0.114231 0.105351 0.059748 0.026147 -0.052589 29O 2dxz 0.129782 0.017318 -0.106709 -0.078777 -0.032275 -0.017341 29O 2dyz -0.041470 0.026312 0.057330 0.040545 0.030673 0.020990 29O 2dx2y2 -0.023338 -0.015089 -0.119687 -0.019278 0.081756 -0.000196 29O 2dxy -0.005711 -0.004501 0.062599 0.015225 -0.082935 0.037408 29O 1f0 0.002043 -0.002671 -0.000598 -0.000104 0.000206 0.001308 29O 1f+1 -0.000764 0.000799 -0.000662 -0.000024 -0.000143 -0.000890 29O 1f-1 0.003942 -0.003923 -0.005099 -0.002070 -0.001397 0.000978 29O 1f+2 -0.002850 0.002107 0.001109 0.000560 -0.000012 -0.000480 29O 1f-2 -0.004514 0.000536 0.006487 0.003008 0.001140 0.001552 29O 1f+3 -0.001438 0.000968 -0.003027 -0.000221 0.000564 -0.001383 29O 1f-3 0.000514 -0.000914 -0.004367 -0.001247 0.000564 -0.000706 30O 1s 0.000689 -0.000161 -0.004216 -0.001590 -0.001589 0.001663 30O 2s 0.001005 -0.002040 -0.012280 -0.005611 -0.004784 0.005435 30O 3s 0.023385 0.045533 0.039643 0.050699 0.029472 -0.034513 30O 4s -0.119476 -0.202534 0.086039 -0.132849 -0.042830 0.084200 30O 5s -1.163488 -0.556107 1.156235 -0.909713 -0.603504 0.128245 30O 1pz -0.031173 -0.057638 0.037049 0.032308 -0.007815 -0.008620 30O 1px -0.020895 -0.008309 0.070854 0.029764 -0.001124 -0.009302 30O 1py -0.020001 -0.045667 0.000790 0.008122 0.005877 0.009789 30O 2pz 0.108654 0.093676 -0.098497 0.119375 0.077690 -0.044622 30O 2px -0.143931 -0.124142 0.163892 -0.101713 -0.052236 0.056918 30O 2py -0.134849 -0.131949 0.118292 -0.127119 -0.041713 0.054736 30O 3pz 0.168605 0.078726 -0.058432 0.110614 0.034838 0.093208 30O 3px -0.084687 -0.053797 0.229643 -0.256028 -0.220611 -0.055346 30O 3py 0.158612 0.041127 -0.360913 -0.192488 -0.266861 -0.184081 30O 1dz2 -0.001320 -0.000773 0.000676 0.001400 0.001795 -0.000225 30O 1dxz -0.000243 0.000585 0.003896 -0.001250 -0.000907 0.000436 30O 1dyz -0.001065 -0.001072 -0.000695 -0.002373 -0.002202 -0.000505 30O 1dx2y2 -0.002078 -0.001643 -0.001901 -0.003047 -0.001283 0.000091 30O 1dxy -0.000571 0.002593 -0.004452 0.000263 0.000497 -0.000213 30O 2dz2 0.091231 0.089751 -0.054209 0.066284 0.129580 0.003933 30O 2dxz 0.180648 0.162543 -0.150789 -0.050988 0.005066 0.019589 30O 2dyz -0.054983 -0.042510 0.023653 0.033496 -0.016605 -0.047887 30O 2dx2y2 0.099880 0.124397 0.007697 -0.035100 0.000682 0.030875 30O 2dxy 0.043177 0.040551 -0.062047 -0.091461 -0.059583 -0.020952 30O 1f0 -0.004065 -0.003883 0.001954 -0.002699 -0.000705 0.001122 30O 1f+1 0.001835 0.001318 -0.002952 0.000291 -0.002310 0.000486 30O 1f-1 0.002209 0.001947 -0.001475 -0.003113 -0.003374 0.000118 30O 1f+2 0.000035 0.001396 0.000046 0.001144 0.003190 0.000031 30O 1f-2 0.003256 0.004240 0.003117 0.005015 0.002680 -0.002421 30O 1f+3 -0.004488 -0.003932 -0.002423 -0.001409 0.001513 0.000579 30O 1f-3 0.004501 0.004054 0.000900 0.005792 0.002241 -0.000887 31O 1s 0.000550 -0.000429 -0.004108 0.001482 -0.001594 -0.001940 31O 2s 0.000648 0.000313 -0.012263 0.005296 -0.004769 -0.006357 31O 3s 0.023877 -0.039867 0.046507 -0.049556 0.029153 0.043767 31O 4s -0.113158 0.213938 0.046868 0.135126 -0.039428 -0.109202 31O 5s -1.169205 0.740582 1.054697 0.906579 -0.631858 -0.428794 31O 1pz 0.029766 -0.062541 -0.028019 0.032705 0.007145 -0.008053 31O 1px 0.019678 -0.019094 -0.067932 0.028517 -0.000444 -0.005808 31O 1py 0.019550 -0.045750 0.006181 0.009068 -0.006677 0.005092 31O 2pz -0.108142 0.109156 0.080512 0.119326 -0.078945 -0.075567 31O 2px 0.141982 -0.149461 -0.139918 -0.104968 0.050383 0.090320 31O 2py 0.133403 -0.150212 -0.093914 -0.128284 0.042575 0.083281 31O 3pz -0.170765 0.087280 0.049899 0.109069 -0.053372 0.058590 31O 3px 0.090728 -0.088727 -0.223934 -0.251029 0.236744 0.019856 31O 3py -0.153838 0.099388 0.343392 -0.178737 0.291305 -0.121831 31O 1dz2 -0.001287 0.000886 0.000557 -0.001346 0.001896 0.000567 31O 1dxz -0.000268 0.000007 0.003881 0.001291 -0.001001 -0.000690 31O 1dyz -0.001077 0.000974 -0.000858 0.002230 -0.002336 -0.000130 31O 1dx2y2 -0.002083 0.001377 -0.002137 0.002861 -0.001405 -0.000488 31O 1dxy -0.000644 -0.003200 -0.003944 -0.000307 0.000511 0.000524 31O 2dz2 0.092238 -0.097987 -0.039165 -0.058665 0.134026 0.014704 31O 2dxz 0.177960 -0.185258 -0.122713 0.050320 0.001944 -0.010406 31O 2dyz -0.053152 0.046312 0.016604 -0.036201 -0.018542 0.053860 31O 2dx2y2 0.095626 -0.123033 0.028797 0.038916 -0.001161 -0.047053 31O 2dxy 0.042745 -0.049540 -0.055977 0.090361 -0.064341 0.005555 31O 1f0 0.004053 -0.004193 -0.001279 -0.002771 0.000747 0.001886 31O 1f+1 -0.001852 0.001787 0.002716 0.000314 0.002292 0.000987 31O 1f-1 -0.002108 0.002166 0.001188 -0.002989 0.003572 0.000473 31O 1f+2 -0.000032 0.001372 -0.000210 0.001117 -0.003193 -0.000842 31O 1f-2 -0.003304 0.003780 -0.003703 0.004979 -0.002671 -0.003592 31O 1f+3 0.004426 -0.003584 0.003028 -0.001361 -0.001567 0.000298 31O 1f-3 -0.004486 0.003960 -0.001586 0.005723 -0.002368 -0.001873 32O 1s -0.006153 -0.004051 -0.004939 -0.000670 0.003013 0.003824 32O 2s -0.016811 -0.010570 -0.012666 -0.001708 0.007710 0.009814 32O 3s 0.046671 0.024609 0.017135 0.002674 -0.012600 -0.018988 32O 4s 0.162152 0.183861 0.223994 0.025033 -0.134876 -0.177112 32O 5s -0.535408 -0.837781 -0.567089 -0.065157 0.416957 0.712305 32O 1pz 0.000065 -0.002213 -0.014832 -0.013760 -0.007406 0.003987 32O 1px 0.020318 0.003781 0.008422 -0.000686 0.013386 0.002497 32O 1py -0.021857 0.005912 -0.022719 -0.001837 0.021404 0.008154 32O 2pz -0.091558 -0.038682 0.119003 -0.056334 0.038925 0.010697 32O 2px 0.007858 0.036344 0.071364 -0.015728 -0.017188 -0.041251 32O 2py -0.025822 -0.015256 -0.009791 0.003550 0.017329 0.016604 32O 3pz 0.218320 0.018111 -0.007308 0.044900 -0.138316 -0.110758 32O 3px -0.381388 -0.148137 -0.369203 -0.031826 0.191580 0.164251 32O 3py 0.107474 -0.257360 0.012828 0.009438 -0.033175 0.150603 32O 1dz2 -0.000784 -0.000624 0.001098 -0.001064 0.000046 0.000550 32O 1dxz 0.001412 -0.000406 -0.002424 0.002295 -0.001940 -0.001083 32O 1dyz 0.000079 0.000799 -0.001623 0.000457 -0.000120 -0.000681 32O 1dx2y2 0.001887 0.001044 -0.000336 0.000882 0.000526 -0.000368 32O 1dxy 0.002309 -0.001819 0.000787 0.000203 -0.001158 0.000636 32O 2dz2 -0.032893 -0.094588 0.125013 -0.055123 0.027676 0.061041 32O 2dxz 0.127305 -0.034972 -0.102899 0.076654 -0.036380 0.016197 32O 2dyz -0.042202 -0.019442 0.064581 -0.039551 0.036857 -0.007620 32O 2dx2y2 -0.021081 -0.003212 -0.123428 0.021973 0.081853 0.022302 32O 2dxy -0.002609 0.012541 0.053358 -0.015967 -0.083712 -0.061048 32O 1f0 -0.002029 -0.002288 0.000978 -0.000002 -0.000310 0.001033 32O 1f+1 0.000779 0.000944 0.000584 -0.000110 0.000218 -0.000779 32O 1f-1 -0.004141 -0.003032 0.005942 -0.001913 0.001549 0.001277 32O 1f+2 0.003066 0.001928 -0.001629 0.000534 -0.000065 -0.000493 32O 1f-2 0.004499 -0.000488 -0.006551 0.002924 -0.001357 0.001393 32O 1f+3 0.001700 0.001367 0.002387 -0.000102 -0.000525 -0.001401 32O 1f-3 -0.000525 -0.000246 0.004464 -0.001259 -0.000518 -0.000767 33O 1s 0.003012 -0.000383 -0.001865 -0.000955 -0.001677 0.003140 33O 2s 0.004442 -0.000936 -0.004428 0.000058 -0.003877 0.008051 33O 3s 0.088563 -0.000399 -0.008024 -0.064380 -0.008630 -0.012807 33O 4s -0.633606 0.054920 0.173846 0.334304 0.180290 -0.131992 33O 5s -0.778868 -0.179953 0.038122 0.975427 -0.074490 0.275203 33O 1pz 0.027831 0.036967 -0.042463 -0.009515 0.008046 0.011493 33O 1px 0.043633 0.007659 -0.050036 -0.018490 -0.023601 0.026106 33O 1py 0.034066 -0.064101 0.027961 0.012545 -0.000834 -0.021281 33O 2pz -0.363870 0.034127 0.082424 0.226125 0.117454 -0.031962 33O 2px 0.466074 -0.031369 -0.131375 -0.244948 -0.120637 0.059471 33O 2py -0.054810 -0.011711 0.022213 0.042629 -0.011826 -0.012358 33O 3pz 0.336822 -0.234685 -0.051989 0.053959 -0.513295 0.188493 33O 3px -0.011078 0.126687 0.018034 -0.275645 0.177023 -0.214443 33O 3py 0.207939 -0.030717 -0.341755 -0.087203 -0.152694 0.222082 33O 1dz2 -0.003148 0.000090 0.003265 -0.001755 0.001376 -0.001421 33O 1dxz -0.000187 0.001210 0.002969 0.002398 -0.000700 -0.000320 33O 1dyz -0.002019 0.002786 0.000886 -0.001170 0.003782 -0.000607 33O 1dx2y2 0.003135 -0.000138 -0.001357 -0.000447 -0.001940 0.000644 33O 1dxy 0.001251 -0.001901 0.000665 0.001016 -0.002684 -0.000020 33O 2dz2 -0.068963 0.064306 -0.109635 -0.078951 -0.050853 -0.004274 33O 2dxz 0.167394 0.106624 -0.188174 -0.115895 -0.039057 0.043979 33O 2dyz 0.028383 -0.009619 0.037527 0.070613 0.061201 0.008747 33O 2dx2y2 -0.139362 0.135759 -0.096637 -0.008942 -0.015177 0.073433 33O 2dxy 0.013298 -0.105697 0.100939 -0.023143 -0.067551 0.021251 33O 1f0 0.006776 0.003319 -0.003564 -0.002407 0.001075 0.001066 33O 1f+1 0.007735 -0.000814 0.004271 -0.003372 -0.003639 0.000058 33O 1f-1 -0.002865 0.000583 0.002511 0.000832 0.001202 -0.000835 33O 1f+2 -0.012682 0.000077 0.001784 0.009828 0.001714 0.000477 33O 1f-2 0.001339 0.002465 -0.003079 -0.002363 0.001955 -0.000110 33O 1f+3 -0.007823 0.001181 0.001963 0.003962 0.000805 0.000326 33O 1f-3 0.001030 0.000962 -0.000805 -0.001747 0.001836 -0.000105 34O 1s 0.001213 0.001177 0.003091 -0.000798 0.001135 0.000868 34O 2s 0.002976 0.003871 0.005293 -0.000669 0.001955 0.002152 34O 3s 0.008238 -0.028849 0.077726 -0.037336 0.014015 -0.002464 34O 4s -0.090138 0.039131 -0.611791 0.226463 -0.141399 -0.010149 34O 5s -0.953981 0.617754 -0.870791 0.592187 0.258931 -0.064354 34O 1pz -0.007697 0.065623 0.055507 -0.033252 0.011222 0.009482 34O 1px -0.010879 0.003502 -0.019493 0.003945 -0.002477 -0.001094 34O 1py -0.019143 0.028865 -0.035080 -0.012752 0.026956 0.013578 34O 2pz 0.001741 0.013999 0.041660 -0.010330 -0.025160 -0.003720 34O 2px -0.169878 0.067283 -0.561069 0.175969 -0.017336 0.014563 34O 2py 0.058893 -0.025985 0.112843 -0.069255 0.005030 -0.000360 34O 3pz 0.206589 -0.125621 -0.000835 0.056321 -0.082723 -0.030584 34O 3px -0.016646 0.308809 0.115844 0.234181 -0.145104 -0.160790 34O 3py 0.052225 -0.144321 -0.418657 0.155991 -0.046430 0.028712 34O 1dz2 0.000572 0.001032 -0.001239 0.001821 -0.000824 -0.000451 34O 1dxz -0.000395 -0.002117 -0.002475 0.000431 0.002531 0.000985 34O 1dyz -0.000941 0.000915 0.001855 -0.000541 -0.000215 -0.001049 34O 1dx2y2 -0.001128 0.000867 0.001994 0.000441 0.001946 -0.000248 34O 1dxy -0.001851 0.002003 0.004061 0.001860 0.000751 -0.001267 34O 2dz2 -0.102229 0.193916 0.246475 -0.198417 0.105344 0.038980 34O 2dxz 0.079446 -0.039696 0.023427 0.050564 0.011837 -0.009207 34O 2dyz 0.017013 -0.114613 -0.058966 0.063536 -0.090037 -0.034847 34O 2dx2y2 -0.071777 0.122911 -0.091689 -0.065385 0.096637 0.020228 34O 2dxy 0.070612 -0.054149 -0.002786 0.052837 0.042438 0.033672 34O 1f0 -0.000175 0.001232 -0.002294 0.002303 0.000745 -0.001237 34O 1f+1 0.000894 -0.000482 0.011173 -0.004132 0.000602 -0.000035 34O 1f-1 -0.000022 0.001620 -0.002178 0.001708 -0.000136 0.000265 34O 1f+2 0.001728 0.001096 0.004029 0.000358 -0.002178 -0.001015 34O 1f-2 -0.000994 0.000519 -0.000836 0.002323 0.000383 -0.001232 34O 1f+3 0.003646 -0.004703 0.009726 -0.002292 -0.000230 0.000920 34O 1f-3 -0.004452 0.002376 -0.006264 0.002189 0.001555 -0.000334 35O 1s -0.004222 0.000545 0.002889 0.003348 0.002583 -0.003896 35O 2s -0.011903 0.000557 0.007354 0.009150 0.006445 -0.009859 35O 3s 0.036366 0.022764 0.010702 -0.038875 -0.004386 0.013588 35O 4s 0.100184 -0.153693 -0.221472 -0.016749 -0.141603 0.172669 35O 5s 1.025689 -0.446888 -1.687705 0.725096 -0.301535 -0.269339 35O 1pz -0.036971 -0.026681 0.058486 0.022941 -0.007540 -0.007785 35O 1px 0.043566 -0.034934 -0.020392 -0.010950 -0.033077 0.018688 35O 1py 0.003686 0.063201 -0.020988 -0.010174 0.020013 0.002184 35O 2pz 0.040176 -0.023178 -0.053337 0.037134 -0.021318 0.007690 35O 2px 0.187560 -0.146644 -0.367452 0.074829 -0.126790 0.064125 35O 2py 0.103517 -0.045798 -0.171123 0.058848 -0.085473 0.020400 35O 3pz -0.363728 0.147720 0.197459 0.117281 0.346024 -0.130106 35O 3px 0.117219 0.084941 -0.131360 0.322175 0.088328 -0.204352 35O 3py -0.250412 -0.122065 0.393657 0.116178 0.168283 -0.085024 35O 1dz2 0.004440 -0.001152 -0.001864 0.000728 -0.001483 0.000985 35O 1dxz -0.000670 0.000899 -0.000217 -0.002074 -0.000746 0.000597 35O 1dyz 0.001627 -0.000897 0.000109 -0.001347 -0.000861 0.001044 35O 1dx2y2 -0.003165 0.001859 0.002172 0.001404 0.000061 -0.001058 35O 1dxy -0.002859 -0.000236 0.000044 -0.000498 0.002549 -0.000404 35O 2dz2 -0.052659 -0.221991 0.212261 -0.014507 -0.094928 -0.075600 35O 2dxz -0.056602 -0.040582 0.011161 -0.002968 -0.081457 0.059916 35O 2dyz 0.027351 0.144111 -0.102500 0.015100 0.044875 0.024940 35O 2dx2y2 0.022953 -0.075998 -0.070338 0.042940 -0.091510 -0.027094 35O 2dxy 0.025469 -0.148980 0.051530 -0.017361 0.002295 -0.034276 35O 1f0 0.001851 0.000980 0.001405 -0.001991 -0.000719 0.000389 35O 1f+1 0.002207 0.000389 0.007131 -0.004385 -0.000503 0.000015 35O 1f-1 0.003579 -0.000214 0.000173 -0.003245 0.000122 0.000981 35O 1f+2 -0.004693 -0.001698 0.000214 0.001257 0.002276 -0.000617 35O 1f-2 0.000214 0.000997 -0.002166 0.000084 0.000716 0.000308 35O 1f+3 0.000524 0.001425 0.003230 -0.002780 -0.001725 0.001033 35O 1f-3 0.002033 0.003967 0.004506 -0.004297 0.000864 0.000544 324 325 326 327 328 329 1.53780 1.54032 1.54246 1.55021 1.55474 1.55690 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s -0.000934 0.001495 -0.000739 0.001579 -0.000047 0.000249 0Rh 2s 0.004431 -0.005584 0.002734 -0.006049 0.000179 -0.001004 0Rh 3s -0.002754 0.005338 -0.002654 0.005549 -0.000167 0.000843 0Rh 4s -0.021300 0.026412 -0.012939 0.028739 -0.000853 0.004798 0Rh 5s 0.025754 -0.019992 0.009755 -0.024254 0.000773 -0.004666 0Rh 6s 0.027520 -0.089269 0.044179 -0.084596 0.002108 -0.011043 0Rh 7s -0.388492 0.285527 -0.317180 0.914676 -0.009199 0.146361 0Rh 8s 0.199401 -0.020820 -0.217104 -0.234393 0.000417 -0.059880 0Rh 1pz -0.002443 -0.003650 -0.002397 0.003129 0.000614 -0.000662 0Rh 1px 0.002541 0.004269 0.004984 -0.002067 0.000620 -0.001516 0Rh 1py -0.001023 -0.000793 -0.003218 -0.007964 -0.001376 0.001691 0Rh 2pz 0.008338 0.012212 0.008178 -0.010755 -0.002137 0.002715 0Rh 2px -0.008767 -0.013945 -0.017039 0.008295 -0.002226 0.005394 0Rh 2py 0.002712 0.002671 0.010791 0.027263 0.004677 -0.005333 0Rh 3pz -0.002499 0.001805 -0.002673 0.005021 0.002186 -0.010078 0Rh 3px 0.004835 -0.009116 0.005686 -0.028491 0.003194 -0.006183 0Rh 3py 0.014844 0.000061 0.000572 -0.009833 -0.001143 -0.007157 0Rh 4pz -0.038016 -0.081170 -0.034742 0.040724 -0.000933 0.024308 0Rh 4px 0.029462 0.121045 0.076518 0.067471 -0.001374 -0.005995 0Rh 4py -0.072410 -0.016400 -0.063756 -0.117615 -0.021473 0.057443 0Rh 5pz 0.044979 0.152001 0.040129 -0.038887 0.023847 -0.068898 0Rh 5px -0.021285 -0.234615 -0.110446 -0.163775 0.013408 -0.010278 0Rh 5py 0.132118 0.031179 0.099179 0.130652 0.029773 -0.092040 0Rh 6pz 0.339947 -0.699950 0.159884 -0.469600 -0.359536 1.071020 0Rh 6px -0.197688 1.581832 0.147424 0.495947 -0.213979 0.398549 0Rh 6py -0.555121 0.052597 0.077804 1.654560 0.034172 0.229661 0Rh 1dz2 0.006584 -0.004631 -0.001949 -0.001622 0.011619 0.009752 0Rh 1dxz 0.006273 -0.003341 -0.001996 -0.009938 0.003386 -0.009753 0Rh 1dyz 0.001013 -0.008050 0.003259 -0.003007 -0.004745 0.025900 0Rh 1dx2y2 -0.007727 0.000844 -0.001239 0.009934 0.005739 0.002118 0Rh 1dxy 0.004059 0.002399 -0.000100 0.007686 -0.002231 0.007910 0Rh 2dz2 -0.001022 0.000488 0.000377 0.000189 -0.001969 -0.000831 0Rh 2dxz -0.001379 0.000518 0.000483 0.002510 -0.000610 0.001701 0Rh 2dyz -0.000163 0.000151 -0.000850 0.000506 0.001926 -0.002802 0Rh 2dx2y2 0.001875 -0.000383 -0.000042 -0.001858 -0.000489 -0.000150 0Rh 2dxy -0.002413 -0.000566 -0.000622 -0.000977 0.000613 0.000213 0Rh 3dz2 -0.010830 0.008637 0.002872 0.002923 -0.018556 -0.018919 0Rh 3dxz -0.008655 0.005580 0.002512 0.012342 -0.005323 0.015347 0Rh 3dyz -0.001619 0.017982 -0.003917 0.004855 0.002691 -0.047977 0Rh 3dx2y2 0.009839 -0.000337 0.003130 -0.014990 -0.011358 -0.004280 0Rh 3dxy 0.000947 -0.003108 0.003038 -0.013769 0.002544 -0.019203 0Rh 4dz2 -0.020312 0.010214 0.007855 0.003906 -0.038737 -0.022625 0Rh 4dxz -0.023737 0.008535 0.009334 0.042468 -0.010304 0.033406 0Rh 4dyz -0.003032 0.009573 -0.014072 0.008763 0.031124 -0.063358 0Rh 4dx2y2 0.032275 -0.004153 -0.000616 -0.035121 -0.010502 -0.003372 0Rh 4dxy -0.037425 -0.010298 -0.010613 -0.018072 0.010199 -0.005002 0Rh 5dz2 0.075621 -0.006057 -0.038240 -0.011279 0.158853 0.105015 0Rh 5dxz 0.071839 0.015838 -0.043396 -0.143288 0.023793 -0.145086 0Rh 5dyz 0.009728 -0.033749 0.042088 -0.013789 -0.099824 0.230419 0Rh 5dx2y2 -0.110661 -0.054137 0.014307 0.136447 0.028685 0.002613 0Rh 5dxy 0.153130 0.021029 0.058020 0.028881 -0.030082 0.016775 0Rh 1f0 -0.015774 -0.003279 0.001914 -0.034469 -0.025739 0.015369 0Rh 1f+1 -0.007741 0.020124 -0.007442 0.017417 0.006871 -0.004766 0Rh 1f-1 -0.029753 -0.013075 -0.023393 -0.005332 0.015391 0.035584 0Rh 1f+2 -0.018614 -0.020160 -0.006149 0.006163 -0.015631 0.006598 0Rh 1f-2 -0.015295 0.023605 -0.010814 -0.016098 -0.005617 -0.003106 0Rh 1f+3 -0.001023 -0.003490 -0.010369 0.055270 -0.005790 0.007182 0Rh 1f-3 -0.011556 -0.005595 0.012256 -0.008981 0.000657 0.016638 1Rh 1s -0.000712 -0.001514 0.000790 0.001544 -0.000023 0.000243 1Rh 2s 0.003583 0.005686 -0.002885 -0.005896 0.000097 -0.000991 1Rh 3s -0.001976 -0.005385 0.002861 0.005434 -0.000075 0.000818 1Rh 4s -0.017278 -0.026912 0.013639 0.028011 -0.000463 0.004735 1Rh 5s 0.022519 0.020719 -0.009906 -0.023538 0.000440 -0.004696 1Rh 6s 0.014770 0.089316 -0.048276 -0.082865 0.001244 -0.010369 1Rh 7s -0.343003 -0.291338 0.356146 0.913240 -0.027182 0.131261 1Rh 8s 0.188555 0.025745 0.209560 -0.222050 0.007145 -0.079980 1Rh 1pz 0.002517 -0.003710 -0.002434 -0.003155 0.000893 0.000795 1Rh 1px -0.003216 0.004205 0.005085 0.002317 0.000399 0.001144 1Rh 1py 0.001133 -0.000784 -0.003019 0.008104 -0.001478 -0.001874 1Rh 2pz -0.008556 0.012436 0.008333 0.010822 -0.003091 -0.003164 1Rh 2px 0.010984 -0.013727 -0.017437 -0.009129 -0.001422 -0.004142 1Rh 2py -0.003099 0.002649 0.010092 -0.027736 0.005040 0.005963 1Rh 3pz 0.001858 0.001394 -0.003323 -0.004563 0.002503 0.010163 1Rh 3px -0.003636 -0.009220 0.006901 0.028355 0.001861 0.006245 1Rh 3py -0.014581 -0.000095 0.001231 0.009867 -0.001574 0.006910 1Rh 4pz 0.041668 -0.080901 -0.033059 -0.043073 0.003330 -0.022122 1Rh 4px -0.047809 0.120170 0.073834 -0.062082 -0.000612 -0.001536 1Rh 4py 0.073925 -0.015645 -0.062285 0.120286 -0.021879 -0.060142 1Rh 5pz -0.050773 0.150911 0.036217 0.043860 0.018406 0.066090 1Rh 5px 0.057012 -0.233415 -0.103462 0.155050 0.009112 0.021895 1Rh 5py -0.135640 0.029493 0.098636 -0.135095 0.029148 0.095982 1Rh 6pz -0.317032 -0.675215 0.184679 0.434772 -0.381635 -1.074033 1Rh 6px -0.028830 1.584578 0.118878 -0.463468 -0.186488 -0.432362 1Rh 6py 0.555270 0.067188 0.020935 -1.641669 0.074913 -0.226900 1Rh 1dz2 0.006975 0.004520 0.001939 -0.001674 -0.011443 0.009552 1Rh 1dxz 0.006345 0.003621 0.001868 -0.010144 -0.002891 -0.009992 1Rh 1dyz 0.002048 0.007932 -0.003190 -0.002468 0.004923 0.026029 1Rh 1dx2y2 -0.006821 -0.000779 0.001832 0.009501 -0.006501 0.002336 1Rh 1dxy 0.005156 -0.002392 0.000365 0.007544 0.001743 0.008305 1Rh 2dz2 -0.001028 -0.000491 -0.000351 0.000179 0.001954 -0.000727 1Rh 2dxz -0.001337 -0.000539 -0.000451 0.002487 0.000465 0.001790 1Rh 2dyz -0.000166 -0.000127 0.000843 0.000399 -0.001946 -0.002763 1Rh 2dx2y2 0.001733 0.000390 -0.000094 -0.001734 0.000638 -0.000261 1Rh 2dxy -0.002464 0.000535 0.000622 -0.000975 -0.000604 0.000164 1Rh 3dz2 -0.011703 -0.008371 -0.002965 0.003092 0.018216 -0.018912 1Rh 3dxz -0.009007 -0.006139 -0.002354 0.012929 0.004790 0.015512 1Rh 3dyz -0.004001 -0.017815 0.003787 0.004069 -0.003022 -0.048447 1Rh 3dx2y2 0.008342 0.000163 -0.003921 -0.014525 0.012486 -0.004291 1Rh 3dxy -0.001378 0.003225 -0.003656 -0.013446 -0.001446 -0.019913 1Rh 4dz2 -0.020962 -0.010099 -0.007495 0.003799 0.038367 -0.020878 1Rh 4dxz -0.023319 -0.009134 -0.008792 0.042227 0.007967 0.034963 1Rh 4dyz -0.004009 -0.009130 0.013877 0.006755 -0.031534 -0.062933 1Rh 4dx2y2 0.029805 0.004142 -0.001805 -0.032943 0.013223 -0.005359 1Rh 4dxy -0.039015 0.009861 0.010426 -0.017918 -0.009674 -0.006049 1Rh 5dz2 0.083221 0.005227 0.037291 -0.011410 -0.157252 0.097675 1Rh 5dxz 0.075523 -0.012667 0.041923 -0.142068 -0.016304 -0.151315 1Rh 5dyz 0.014460 0.032225 -0.040482 -0.006287 0.101188 0.229144 1Rh 5dx2y2 -0.110895 0.054184 -0.005553 0.128983 -0.038485 0.012083 1Rh 5dxy 0.155229 -0.019347 -0.058427 0.028688 0.029013 0.020799 1Rh 1f0 0.013656 -0.003661 0.002433 0.034609 -0.026791 -0.015578 1Rh 1f+1 0.011088 0.019763 -0.008033 -0.016236 0.008367 0.006511 1Rh 1f-1 0.027530 -0.012250 -0.023263 0.004718 0.015690 -0.035406 1Rh 1f+2 0.014571 -0.020784 -0.008060 -0.006669 -0.014736 -0.006216 1Rh 1f-2 0.018815 0.023791 -0.010873 0.016080 -0.005572 0.003868 1Rh 1f+3 0.002962 -0.003200 -0.011801 -0.055719 -0.003481 -0.006191 1Rh 1f-3 0.007960 -0.005569 0.011999 0.007545 0.001259 -0.016868 2C 1s -0.007059 -0.022994 -0.024636 0.009612 0.009966 0.020355 2C 2s -0.021553 -0.069597 -0.074352 0.027882 0.030488 0.060884 2C 3s 0.241282 0.769230 0.825420 -0.279882 -0.330937 -0.742017 2C 4s -0.626285 -1.943015 -2.081726 0.582656 0.858554 2.010841 2C 5s 0.322113 3.367498 3.883122 -1.327200 -1.691029 -3.104007 2C 1pz -0.004624 -0.080055 -0.018506 -0.049507 -0.085962 0.322326 2C 1px -0.046951 -0.141306 -0.142158 0.092281 0.194360 0.070307 2C 1py -0.055060 -0.130700 -0.228558 0.186703 0.114490 -0.015015 2C 2pz 0.021818 0.365233 0.212637 -0.037748 0.241666 -1.059424 2C 2px 0.140074 0.532011 0.441686 -0.360096 -0.616171 -0.232360 2C 2py 0.183162 0.506994 0.791446 -0.730275 -0.402721 -0.018165 2C 3pz 0.005255 0.276508 0.470627 -0.331683 -0.422310 0.019963 2C 3px -0.064529 -0.245501 -0.234563 0.117204 0.243570 0.065022 2C 3py -0.158590 0.135048 0.077600 0.300511 0.146831 -0.426070 2C 1dz2 -0.001949 0.001234 -0.002542 -0.002244 -0.009753 -0.000127 2C 1dxz 0.001654 -0.009842 -0.001416 0.004346 0.003706 0.001292 2C 1dyz -0.000103 0.005324 0.005814 0.003681 0.004543 -0.006096 2C 1dx2y2 0.005241 0.002801 0.004539 -0.010625 -0.009323 0.002421 2C 1dxy 0.000283 -0.009212 -0.008165 0.006067 0.001068 -0.007287 2C 2dz2 0.087840 0.193013 0.263337 -0.182242 -0.040523 -0.167546 2C 2dxz -0.008292 0.069338 0.103324 -0.131276 0.105102 -0.068114 2C 2dyz 0.092512 0.296218 0.281886 -0.203213 -0.156622 -0.346706 2C 2dx2y2 0.059560 0.020659 0.087418 -0.090458 -0.145860 0.226153 2C 2dxy -0.054439 -0.015641 -0.153717 0.096496 0.092891 -0.237660 2C 1f0 0.002204 -0.010697 -0.002296 -0.003866 -0.012502 0.037411 2C 1f+1 0.005102 -0.008651 -0.012677 0.005884 0.001936 0.001821 2C 1f-1 -0.019134 -0.030536 -0.035999 0.017574 0.011952 0.043616 2C 1f+2 -0.006254 0.041129 0.040844 -0.015731 -0.011299 -0.057339 2C 1f-2 -0.024882 -0.047061 -0.052705 0.022000 0.024265 0.059207 2C 1f+3 0.016652 0.039925 0.048232 -0.021322 -0.011936 -0.037735 2C 1f-3 -0.016415 0.014303 0.001952 -0.002525 -0.012336 -0.010797 3C 1s -0.011202 0.005203 0.022904 0.010573 0.024198 -0.016561 3C 2s -0.033475 0.016017 0.069206 0.030956 0.073224 -0.049550 3C 3s 0.367397 -0.174284 -0.766315 -0.322455 -0.811157 0.622720 3C 4s -0.885283 0.430558 1.952258 0.714621 2.047518 -1.741757 3C 5s 1.985628 -0.400245 -3.367492 -1.062896 -4.155121 2.646021 3C 1pz -0.050535 -0.111398 -0.088380 0.075235 -0.083510 -0.009405 3C 1px -0.081089 0.004740 0.137708 0.175603 -0.171225 0.063209 3C 1py 0.049107 -0.079777 -0.188125 0.014530 -0.283064 0.311132 3C 2pz 0.259369 0.290228 0.191094 -0.381670 0.169532 0.068084 3C 2px 0.267903 0.064548 -0.512175 -0.537028 0.500943 -0.232187 3C 2py -0.269079 0.276824 0.681346 0.142428 1.028039 -0.992864 3C 3pz 0.108101 -0.133980 -0.403688 0.088984 -0.677519 0.345005 3C 3px -0.056596 0.068189 0.093132 0.359480 -0.494203 0.238349 3C 3py -0.181827 -0.035401 0.139858 0.207916 0.013880 0.086267 3C 1dz2 -0.000153 0.008627 0.004835 0.001626 -0.008501 -0.001695 3C 1dxz -0.002795 -0.003377 0.002384 0.008765 -0.012481 0.010099 3C 1dyz 0.000157 -0.002529 0.006298 -0.004885 0.005142 -0.007767 3C 1dx2y2 -0.001913 -0.007726 -0.000624 -0.002705 -0.011411 0.002795 3C 1dxy 0.003449 0.004295 -0.010050 0.003355 0.000998 -0.003798 3C 2dz2 -0.003900 0.011803 0.053331 -0.010807 0.109248 -0.103328 3C 2dxz 0.028688 0.012509 -0.102835 0.190306 -0.352191 0.276339 3C 2dyz -0.113442 0.177217 0.363889 0.178889 0.206871 -0.279345 3C 2dx2y2 -0.130347 -0.032819 -0.007217 0.277387 0.007494 -0.121213 3C 2dxy -0.106609 -0.113436 0.103563 0.069586 0.076347 -0.110310 3C 1f0 -0.012375 -0.015007 0.002691 0.002413 0.001187 0.005088 3C 1f+1 0.011075 0.016863 -0.013549 0.015031 0.013599 -0.011391 3C 1f-1 -0.006663 0.017866 0.027196 0.012429 0.037222 -0.033623 3C 1f+2 0.026429 -0.015004 -0.059086 -0.032223 -0.063848 0.070204 3C 1f-2 0.036611 0.005991 -0.053726 -0.009560 -0.043548 0.049875 3C 1f+3 -0.006985 0.008174 0.003552 0.028311 -0.001154 -0.004598 3C 1f-3 0.003466 0.016315 0.005457 0.018982 -0.016456 0.009115 4C 1s 0.004128 0.010642 0.012116 -0.004501 -0.004654 -0.022993 4C 2s 0.013658 0.035272 0.040252 -0.015897 -0.015257 -0.073222 4C 3s -0.179504 -0.539934 -0.605889 0.261813 0.245844 0.991786 4C 4s 0.557116 1.625010 1.792705 -0.979141 -0.873680 -2.716099 4C 5s -0.294256 -1.151911 -0.996252 0.239053 0.781322 1.444115 4C 1pz 0.002528 0.003442 0.025744 0.040262 0.131586 -0.030345 4C 1px -0.061436 0.010516 0.055536 0.045178 0.047038 -0.000416 4C 1py 0.030938 -0.046781 -0.075343 -0.136608 -0.182940 0.103127 4C 2pz 0.066217 0.501935 0.512513 -0.425640 -0.406607 -0.596394 4C 2px 0.269128 0.030104 -0.188042 -0.306303 0.072509 -0.531885 4C 2py 0.074716 0.419839 0.426958 -0.117301 0.243317 -0.741275 4C 3pz -0.477046 0.629681 1.025555 -0.139121 -0.251217 -0.284583 4C 3px 0.180162 -0.020372 0.409307 0.125384 0.120947 -0.074309 4C 3py -0.056309 0.263298 0.627674 -0.398230 -0.383083 -0.043848 4C 1dz2 0.000521 -0.002755 0.000735 0.005815 0.010382 -0.002090 4C 1dxz -0.005752 -0.001307 -0.008218 0.005825 0.011845 0.005302 4C 1dyz -0.003574 -0.004476 -0.004030 0.005137 0.003279 -0.011106 4C 1dx2y2 0.003808 0.011446 0.012216 -0.007991 0.006471 -0.007046 4C 1dxy -0.002234 0.007821 0.009572 -0.002447 -0.016749 0.003593 4C 2dz2 -0.002821 -0.256264 -0.110125 0.292370 0.085635 0.315997 4C 2dxz -0.006618 0.006306 -0.279120 -0.028847 0.037404 0.105472 4C 2dyz -0.026863 -0.099467 -0.070395 0.121146 -0.017377 0.118140 4C 2dx2y2 0.035806 0.286387 0.317222 -0.281803 -0.042365 -0.401583 4C 2dxy -0.017688 0.214811 0.035152 -0.109538 0.045888 -0.275985 4C 1f0 -0.000454 -0.014689 -0.014669 -0.000871 -0.007546 0.023901 4C 1f+1 -0.008551 -0.031049 -0.031966 0.022950 0.022465 0.045229 4C 1f-1 -0.008746 -0.005475 -0.008621 0.001195 0.014417 0.001477 4C 1f+2 -0.002835 0.027360 0.027797 -0.002845 -0.010603 -0.031244 4C 1f-2 0.005544 -0.009377 -0.008549 -0.004691 0.005564 -0.010073 4C 1f+3 0.006346 -0.005574 -0.004011 0.000003 -0.008597 0.006939 4C 1f-3 -0.013630 -0.021569 -0.025217 0.011504 0.003246 0.054757 5C 1s 0.004362 -0.003423 -0.012432 -0.005173 -0.011687 0.019880 5C 2s 0.014971 -0.010929 -0.040679 -0.017952 -0.038835 0.062852 5C 3s -0.264594 0.173746 0.573957 0.273732 0.613924 -0.840243 5C 4s 0.854794 -0.640285 -1.678742 -0.978188 -1.915205 2.213737 5C 5s -0.434239 0.172271 1.081383 0.331712 1.409635 -1.265868 5C 1pz 0.019327 -0.073788 -0.062360 -0.111357 0.210166 -0.105764 5C 1px 0.077772 0.051594 -0.032330 -0.003124 0.050965 -0.033835 5C 1py 0.023362 -0.025572 -0.075185 -0.017708 0.120959 -0.018149 5C 2pz 0.296186 0.030834 -0.176303 -0.150660 -0.623400 0.600885 5C 2px -0.435235 -0.094823 -0.135320 0.063879 -0.302563 0.142264 5C 2py -0.422235 0.166679 0.586051 0.442964 0.247010 -0.606828 5C 3pz 0.422244 0.090141 -0.408601 0.023525 -0.343186 -0.070365 5C 3px 0.084524 -0.494627 -0.003241 -0.774277 -0.412598 0.188207 5C 3py -0.584657 -0.222906 0.645337 -0.268776 1.312482 -0.187783 5C 1dz2 -0.003581 -0.003026 0.004940 0.004004 0.007672 -0.004159 5C 1dxz -0.002438 0.001606 0.000872 0.006252 0.029348 -0.005496 5C 1dyz 0.002269 0.003493 0.001371 -0.002530 -0.002859 -0.009904 5C 1dx2y2 0.006337 -0.004950 -0.015209 -0.006566 -0.000186 -0.005092 5C 1dxy -0.003034 -0.008205 -0.002790 -0.008639 0.003596 -0.002145 5C 2dz2 -0.038583 -0.071446 0.112870 -0.039039 0.195964 -0.130472 5C 2dxz -0.204844 0.159994 0.087102 0.299702 0.186546 -0.256620 5C 2dyz -0.055465 0.096316 -0.077549 0.035414 -0.012093 -0.056151 5C 2dx2y2 0.166054 0.117183 -0.350741 -0.051046 -0.260247 0.247139 5C 2dxy 0.248470 -0.262359 0.028210 -0.380592 -0.178352 0.261542 5C 1f0 -0.012696 0.008100 0.011526 0.012019 -0.003567 -0.016852 5C 1f+1 0.004436 0.005359 0.006781 0.004906 0.023829 -0.032076 5C 1f-1 -0.000813 -0.005832 -0.005497 -0.003062 -0.000102 0.000244 5C 1f+2 -0.000648 -0.015830 -0.004452 -0.001992 -0.010832 -0.001754 5C 1f-2 0.022918 0.001104 -0.022229 -0.001705 -0.025039 0.030162 5C 1f+3 -0.009974 0.008800 0.034031 0.013462 0.021271 -0.018264 5C 1f-3 0.014679 -0.012459 -0.023234 -0.015148 -0.041321 0.049860 6C 1s 0.003570 0.003484 0.012479 -0.005154 0.011732 0.020514 6C 2s 0.012345 0.011167 0.040796 -0.017890 0.039042 0.064877 6C 3s -0.222785 -0.178367 -0.575064 0.270535 -0.617834 -0.865085 6C 4s 0.729406 0.652965 1.670384 -0.964432 1.938227 2.281649 6C 5s -0.309532 -0.194401 -1.096806 0.321799 -1.403431 -1.277011 6C 1pz -0.024197 -0.077384 -0.061355 0.119832 0.205887 0.108431 6C 1px -0.072297 0.049813 -0.030935 0.006514 0.048987 0.034740 6C 1py -0.022760 -0.027932 -0.076623 0.024893 0.120728 0.019565 6C 2pz -0.258280 0.032696 -0.168803 0.135569 -0.627001 -0.616566 6C 2px 0.426395 -0.097285 -0.149193 -0.066169 -0.295574 -0.142217 6C 2py 0.374691 0.173776 0.577268 -0.451136 0.259858 0.618761 6C 3pz -0.421480 0.074091 -0.412368 -0.018448 -0.347949 0.063344 6C 3px -0.068508 -0.496369 0.006116 0.763028 -0.432174 -0.210605 6C 3py 0.552355 -0.210931 0.656982 0.293924 1.303874 0.212185 6C 1dz2 -0.003345 0.002540 -0.005144 0.004214 -0.007781 -0.004507 6C 1dxz -0.001310 -0.001780 -0.000829 0.005650 -0.029569 -0.005708 6C 1dyz 0.002323 -0.003209 -0.001522 -0.002653 0.003157 -0.010029 6C 1dx2y2 0.006400 0.004831 0.014629 -0.006914 0.000648 -0.005073 6C 1dxy -0.003357 0.008100 0.002687 -0.008805 -0.003449 -0.002272 6C 2dz2 -0.037000 0.067869 -0.117452 -0.039415 -0.195508 -0.134366 6C 2dxz -0.177386 -0.161996 -0.079159 0.295277 -0.193341 -0.264932 6C 2dyz -0.047001 -0.094670 0.077527 0.031512 0.013559 -0.057801 6C 2dx2y2 0.154653 -0.111289 0.352808 -0.053525 0.263294 0.251925 6C 2dxy 0.210576 0.260027 -0.041554 -0.371025 0.188545 0.270432 6C 1f0 0.011759 0.008210 0.011095 -0.011992 -0.003306 0.017306 6C 1f+1 -0.005424 0.005212 0.007056 -0.004501 0.023857 0.032848 6C 1f-1 0.001310 -0.005739 -0.005508 0.002980 0.000001 -0.000063 6C 1f+2 0.001183 -0.015710 -0.004368 0.001706 -0.010553 0.001912 6C 1f-2 -0.021511 0.001053 -0.022017 0.001509 -0.025108 -0.030824 6C 1f+3 0.007665 0.009427 0.034261 -0.013941 0.021568 0.018953 6C 1f-3 -0.012099 -0.012745 -0.023458 0.014459 -0.041262 -0.050664 7C 1s 0.003678 -0.010467 -0.012300 -0.003937 0.004808 -0.023028 7C 2s 0.012264 -0.034674 -0.040862 -0.014057 0.015827 -0.073352 7C 3s -0.165004 0.529429 0.613616 0.237309 -0.257251 0.992878 7C 4s 0.525298 -1.593583 -1.822663 -0.912119 0.918709 -2.715814 7C 5s -0.270685 1.127766 0.994537 0.178396 -0.814654 1.443278 7C 1pz -0.003776 0.003782 0.023194 -0.036623 0.133892 0.032203 7C 1px 0.048572 0.011157 0.053636 -0.046109 0.051052 0.001137 7C 1py -0.028942 -0.047174 -0.068558 0.132781 -0.191256 -0.106009 7C 2pz -0.060280 0.495872 0.530752 0.399757 -0.430599 0.595270 7C 2px -0.257838 0.013377 -0.180966 0.310889 0.066633 0.531752 7C 2py -0.076883 0.410098 0.426633 0.113035 0.243402 0.747452 7C 3pz 0.430009 0.612892 1.008410 0.093008 -0.254133 0.294489 7C 3px -0.119580 -0.019770 0.394205 -0.127835 0.118968 0.069092 7C 3py 0.087720 0.253187 0.629180 0.369754 -0.408196 0.047245 7C 1dz2 0.000156 0.003103 -0.000157 0.005870 -0.010591 -0.001817 7C 1dxz -0.004702 0.001413 0.008548 0.005606 -0.012395 0.005222 7C 1dyz -0.003539 0.004301 0.003978 0.005063 -0.003493 -0.011348 7C 1dx2y2 0.004271 -0.011043 -0.012276 -0.007878 -0.006168 -0.007006 7C 1dxy -0.002245 -0.007751 -0.009553 -0.001779 0.016371 0.003679 7C 2dz2 -0.030010 0.249148 0.120538 0.283268 -0.091240 0.319786 7C 2dxz 0.027345 -0.004328 0.277558 -0.034370 -0.050135 0.102355 7C 2dyz -0.025979 0.097439 0.075370 0.118854 0.011793 0.119032 7C 2dx2y2 0.036003 -0.277986 -0.323055 -0.270750 0.053381 -0.404047 7C 2dxy 0.011571 -0.206400 -0.036888 -0.106245 -0.050573 -0.281338 7C 1f0 0.000084 -0.014250 -0.014385 0.000901 -0.006982 -0.023907 7C 1f+1 0.008727 -0.030074 -0.032352 -0.021272 0.022977 -0.044978 7C 1f-1 0.007226 -0.005352 -0.008522 -0.001033 0.014356 -0.001323 7C 1f+2 0.002664 0.027214 0.027933 0.002104 -0.011367 0.031232 7C 1f-2 -0.004587 -0.009697 -0.008489 0.004689 0.005056 0.009801 7C 1f+3 -0.003966 -0.004991 -0.003635 0.000048 -0.008993 -0.006638 7C 1f-3 0.012608 -0.021103 -0.025652 -0.011064 0.003842 -0.054997 8C 1s -0.009641 -0.005517 -0.022842 0.010380 -0.024313 -0.016983 8C 2s -0.028766 -0.016957 -0.069058 0.030362 -0.073509 -0.050812 8C 3s 0.315155 0.184917 0.766921 -0.315789 0.813112 0.638352 8C 4s -0.757925 -0.457877 -1.961679 0.697731 -2.047141 -1.784081 8C 5s 1.757981 0.457752 3.384292 -1.022651 4.160090 2.719283 8C 1pz 0.051082 -0.106463 -0.084800 -0.078524 -0.086140 0.005816 8C 1px 0.082414 0.008616 0.136651 -0.182216 -0.158101 -0.054929 8C 1py -0.033703 -0.078303 -0.187362 -0.020568 -0.280465 -0.316359 8C 2pz -0.246674 0.273610 0.185854 0.391068 0.172800 -0.056836 8C 2px -0.276480 0.051302 -0.508328 0.560401 0.458676 0.207735 8C 2py 0.206184 0.274385 0.671339 -0.123045 1.027207 1.010379 8C 3pz -0.082399 -0.129420 -0.401791 -0.104798 -0.678698 -0.361491 8C 3px 0.074904 0.072355 0.087995 -0.373714 -0.469181 -0.226971 8C 3py 0.179811 -0.024637 0.143170 -0.215260 0.022221 -0.081874 8C 1dz2 0.000040 -0.008483 -0.004646 0.001878 0.008579 -0.001533 8C 1dxz -0.003777 0.003432 -0.002093 0.009258 0.011784 0.009976 8C 1dyz -0.000055 0.002563 -0.006503 -0.004888 -0.005036 -0.008148 8C 1dx2y2 -0.002428 0.007534 0.000355 -0.002430 0.011450 0.003062 8C 1dxy 0.003931 -0.004211 0.009975 0.003041 -0.000844 -0.003842 8C 2dz2 -0.001514 -0.012056 -0.053173 -0.009834 -0.105881 -0.102803 8C 2dxz 0.008973 -0.011500 0.107572 0.199527 0.340856 0.272729 8C 2dyz -0.094577 -0.175219 -0.357303 0.179031 -0.213926 -0.289944 8C 2dx2y2 -0.121583 0.025889 0.008242 0.277413 -0.016579 -0.126233 8C 2dxy -0.097756 0.109210 -0.103043 0.071969 -0.076614 -0.109742 8C 1f0 0.011480 -0.013999 0.002967 -0.002944 0.001526 -0.005065 8C 1f+1 -0.011910 0.016696 -0.014273 -0.013998 0.012497 0.010392 8C 1f-1 0.004488 0.018242 0.026639 -0.012054 0.037315 0.034371 8C 1f+2 -0.021848 -0.016004 -0.058593 0.031988 -0.063878 -0.071568 8C 1f-2 -0.032893 0.004672 -0.054520 0.009818 -0.044278 -0.051677 8C 1f+3 0.006620 0.008321 0.003119 -0.028002 -0.000327 0.005084 8C 1f-3 -0.003070 0.016086 0.004464 -0.019355 -0.015987 -0.009082 9C 1s -0.006762 0.022695 0.024865 0.008941 -0.010482 0.020351 9C 2s -0.020592 0.068710 0.074991 0.025892 -0.031993 0.060862 9C 3s 0.229868 -0.758624 -0.831094 -0.256709 0.346395 -0.741774 9C 4s -0.596487 1.915448 2.091520 0.521375 -0.891722 2.009588 9C 5s 0.306459 -3.306475 -3.892219 -1.178100 1.765398 -3.113616 9C 1pz 0.003734 -0.077246 -0.015444 0.048887 -0.084154 -0.323421 9C 1px 0.035217 -0.139536 -0.141784 -0.078317 0.182113 -0.076768 9C 1py 0.057134 -0.129343 -0.236506 -0.177529 0.122322 0.015822 9C 2pz -0.017704 0.354565 0.210127 0.035283 0.226044 1.063777 9C 2px -0.117516 0.524861 0.442844 0.315391 -0.576870 0.253089 9C 2py -0.191930 0.500094 0.820758 0.698037 -0.433828 0.016015 9C 3pz 0.003680 0.272325 0.478085 0.306417 -0.434901 -0.018764 9C 3px 0.044816 -0.245514 -0.233326 -0.096043 0.220220 -0.077935 9C 3py 0.148351 0.129372 0.060223 -0.303314 0.158300 0.427671 9C 1dz2 -0.001511 -0.001295 0.002385 -0.001978 0.009801 -0.000321 9C 1dxz 0.000667 0.009898 0.001584 0.004073 -0.003146 0.001604 9C 1dyz -0.000134 -0.005191 -0.005609 0.003813 -0.005001 -0.006040 9C 1dx2y2 0.004702 -0.002863 -0.005170 -0.010486 0.009429 0.002594 9C 1dxy -0.000612 0.008957 0.008147 0.005572 -0.000769 -0.007200 9C 2dz2 0.075018 -0.188003 -0.265690 -0.173037 0.049313 -0.165641 9C 2dxz 0.011263 -0.061956 -0.105704 -0.129376 -0.093818 -0.063811 9C 2dyz 0.087183 -0.293741 -0.292840 -0.192797 0.159304 -0.348052 9C 2dx2y2 0.050228 -0.021234 -0.092844 -0.086954 0.139424 0.233249 9C 2dxy -0.041474 0.011444 0.149805 0.086606 -0.089074 -0.238647 9C 1f0 -0.001408 -0.010136 -0.001691 0.003720 -0.011821 -0.037247 9C 1f+1 -0.003739 -0.008284 -0.012618 -0.004936 0.002021 -0.002339 9C 1f-1 0.017081 -0.029473 -0.035881 -0.016200 0.012263 -0.042916 9C 1f+2 0.001666 0.041782 0.043149 0.014852 -0.013508 0.059329 9C 1f-2 0.021160 -0.045832 -0.052604 -0.020003 0.024676 -0.058483 9C 1f+3 -0.015738 0.038020 0.047976 0.019619 -0.012370 0.036502 9C 1f-3 0.011288 0.015813 0.004573 0.002533 -0.012255 0.012859 10H 1s 0.005104 -0.018301 -0.026824 -0.001198 -0.008127 0.054876 10H 2s -0.001075 0.189394 0.226148 -0.003860 0.359350 -0.688555 10H 3s -0.083614 -0.329119 -0.377720 0.046257 -0.129164 0.613541 10H 1pz -0.155129 0.115939 0.039090 0.009908 -0.003636 -0.140644 10H 1px -0.044332 0.008277 -0.015283 -0.012287 -0.084428 0.073301 10H 1py 0.278543 0.040787 0.147406 -0.126931 -0.067284 0.020155 11H 1s -0.002953 -0.040374 -0.031493 0.008573 0.009739 0.075316 11H 2s 0.122852 0.496441 0.279507 0.014929 -0.211841 -0.950916 11H 3s -0.086380 -0.737659 -0.603276 0.070828 0.265053 0.938031 11H 1pz 0.163479 0.038439 0.079076 -0.041477 0.007038 -0.098950 11H 1px -0.213667 0.122119 0.028380 -0.010137 -0.120561 -0.111672 11H 1py -0.133688 -0.016916 -0.028032 -0.052844 -0.089162 0.115655 12H 1s -0.021423 -0.049507 -0.059851 0.040072 0.030939 0.037480 12H 2s 0.338047 0.767601 1.059077 -0.709878 -0.587650 -0.200955 12H 3s -0.256374 -0.839507 -1.022148 0.687623 0.659919 0.316488 12H 1pz -0.001089 -0.039187 -0.073817 0.095057 0.158100 -0.102925 12H 1px 0.303685 0.068435 0.180568 -0.094565 -0.027155 -0.043655 12H 1py -0.078755 0.119325 0.116453 -0.081696 -0.091206 -0.061778 13H 1s -0.022107 0.001503 0.020573 0.004030 0.050910 -0.062406 13H 2s 0.236037 0.068868 -0.155829 0.016947 -0.805795 0.735772 13H 3s -0.248715 0.021613 0.315355 0.060699 0.832153 -0.632368 13H 1pz -0.113708 -0.187546 0.100112 -0.218589 -0.015033 0.052256 13H 1px -0.096782 -0.117379 0.055046 -0.139272 0.159853 -0.110494 13H 1py -0.167148 -0.158423 0.198317 -0.126211 0.117225 -0.100974 14H 1s -0.022192 -0.003782 0.030012 0.040576 0.003271 -0.022169 14H 2s 0.363462 0.081242 -0.365044 -0.744627 0.231737 0.047021 14H 3s -0.449024 -0.025080 0.602060 0.592325 0.088331 -0.160261 14H 1pz 0.215916 0.243585 -0.178234 0.151904 0.002026 0.023222 14H 1px -0.041911 -0.146109 -0.007729 -0.235629 -0.004851 0.027752 14H 1py 0.066870 0.100409 -0.048637 0.004324 0.200527 -0.127379 15H 1s -0.014340 0.015616 0.056805 0.006580 0.059238 -0.069552 15H 2s 0.170664 -0.426428 -0.914990 -0.062157 -0.868923 0.796239 15H 3s -0.347256 0.284428 0.955367 0.111152 1.092890 -0.810926 15H 1pz -0.035868 0.034746 0.136906 -0.039215 0.200558 -0.122287 15H 1px 0.244242 0.272469 -0.263487 0.181180 0.084572 -0.030364 15H 1py 0.035134 0.135942 0.038192 0.112859 0.090477 -0.116159 16H 1s 0.011938 -0.033147 -0.000969 -0.010455 -0.061711 0.092364 16H 2s -0.199055 0.396019 0.009722 0.202091 0.368644 -0.544978 16H 3s -0.000823 -0.134464 0.046731 -0.016299 -0.088869 0.225619 16H 1pz -0.008204 0.037608 0.004673 0.008478 0.027778 -0.054665 16H 1px 0.031406 0.011699 0.025147 -0.101494 0.004134 -0.008161 16H 1py 0.019505 -0.012232 0.002008 -0.037200 0.073861 -0.118865 17H 1s 0.001489 -0.026413 -0.026174 -0.001533 0.070594 -0.080527 17H 2s -0.106062 0.340136 0.169588 0.093921 -0.435818 0.534560 17H 3s -0.051997 -0.114229 -0.012219 -0.025085 0.099943 -0.191465 17H 1pz -0.017245 -0.000312 -0.024827 0.059977 -0.009908 -0.002084 17H 1px 0.040990 -0.044317 0.009783 -0.124305 0.041850 -0.032629 17H 1py 0.049017 -0.024937 0.035257 -0.085845 -0.067212 0.114547 18H 1s -0.003967 0.027017 0.026058 -0.000267 -0.070458 -0.080083 18H 2s -0.046826 -0.342650 -0.163459 0.083978 0.425667 0.542697 18H 3s -0.071105 0.114877 0.011324 -0.024776 -0.098113 -0.189920 18H 1pz 0.023153 0.001064 -0.027863 -0.061051 -0.005443 0.004098 18H 1px -0.038523 -0.045094 0.013539 0.119849 0.037438 0.033085 18H 1py -0.049609 -0.024629 0.037256 0.082555 -0.070772 -0.113706 19H 1s 0.010263 0.032427 0.000200 -0.007266 0.060324 0.090726 19H 2s -0.164341 -0.389521 0.001167 0.175671 -0.373217 -0.527567 19H 3s -0.011437 0.131022 -0.049978 -0.010077 0.088510 0.224185 19H 1pz 0.005933 0.037907 0.003535 -0.006611 0.025436 0.050842 19H 1px -0.025325 0.010908 0.029381 0.100932 0.000605 0.008230 19H 1py -0.013949 -0.012859 0.005213 0.038808 0.070923 0.120190 20H 1s -0.011513 -0.015437 -0.056607 0.005760 -0.059318 -0.071547 20H 2s 0.123091 0.420394 0.907817 -0.051113 0.871893 0.821166 20H 3s -0.291939 -0.285866 -0.953091 0.097362 -1.093145 -0.833731 20H 1pz 0.025263 0.035894 0.134731 0.041342 0.201200 0.126694 20H 1px -0.233425 0.266541 -0.265123 -0.174310 0.084801 0.031063 20H 1py -0.038567 0.135330 0.035362 -0.111627 0.092229 0.119304 21H 1s -0.020992 0.002630 -0.030320 0.041431 -0.004804 -0.023355 21H 2s 0.355544 -0.064099 0.361824 -0.761975 -0.201012 0.066754 21H 3s -0.429838 0.006371 -0.600859 0.605825 -0.110432 -0.177274 21H 1pz -0.203378 0.237675 -0.179818 -0.147266 0.006547 -0.020483 21H 1px 0.042450 -0.148851 -0.005415 0.237176 -0.013361 -0.033573 21H 1py -0.070595 0.096860 -0.048355 0.003442 0.198133 0.128533 22H 1s -0.017485 -0.002334 -0.021041 0.003219 -0.049843 -0.062530 22H 2s 0.183374 -0.058552 0.164008 0.034081 0.783482 0.729467 22H 3s -0.197188 -0.031284 -0.322536 0.045244 -0.815770 -0.629290 22H 1pz 0.109757 -0.187856 0.100985 0.218444 -0.017320 -0.053596 22H 1px 0.084229 -0.113925 0.055428 0.140848 0.151846 0.107293 22H 1py 0.154827 -0.155415 0.199488 0.125894 0.115458 0.102293 23H 1s -0.020351 0.048219 0.061082 0.037288 -0.031781 0.037421 23H 2s 0.317703 -0.752240 -1.076819 -0.664552 0.596368 -0.196573 23H 3s -0.243872 0.826550 1.040378 0.643910 -0.673920 0.318084 23H 1pz 0.006117 -0.040027 -0.079240 -0.089154 0.158572 0.102882 23H 1px -0.235888 0.065584 0.175533 0.091484 -0.025226 0.041817 23H 1py 0.047626 0.117455 0.123179 0.074622 -0.093326 0.062706 24H 1s -0.002981 0.039996 0.031641 0.007112 -0.009440 0.075849 24H 2s 0.101181 -0.495782 -0.280212 0.027106 0.200684 -0.963172 24H 3s -0.077104 0.729435 0.601198 0.047283 -0.259027 0.946318 24H 1pz -0.128943 0.037492 0.078706 0.043063 0.003631 0.096512 24H 1px 0.159429 0.121302 0.033202 0.000580 -0.114649 0.118728 24H 1py 0.100567 -0.014842 -0.021615 0.048936 -0.093121 -0.114462 25H 1s 0.004695 0.017554 0.026603 -0.002026 0.005998 0.054600 25H 2s 0.021967 -0.180056 -0.225835 -0.011414 -0.319809 -0.683323 25H 3s -0.091626 0.319328 0.377578 0.045644 0.096911 0.607672 25H 1pz 0.116088 0.113416 0.040041 -0.014935 -0.002295 0.144331 25H 1px 0.040780 0.009079 -0.016266 0.006055 -0.075227 -0.069333 25H 1py -0.216832 0.040940 0.147124 0.125563 -0.072256 -0.023456 26O 1s -0.001136 -0.001364 -0.000540 -0.001243 -0.000960 0.002332 26O 2s -0.003077 -0.005915 -0.002030 -0.002267 -0.002242 0.008963 26O 3s 0.014856 0.072844 0.030244 -0.025014 -0.004133 -0.107876 26O 4s 0.019202 -0.292010 -0.097454 0.185796 0.076935 0.421940 26O 5s -0.449844 -0.741568 -0.832825 0.835378 -0.137588 1.391259 26O 1pz -0.009958 -0.006121 -0.020366 0.008762 -0.000535 0.004443 26O 1px -0.008027 -0.003787 -0.012313 -0.013187 -0.002555 -0.001975 26O 1py -0.030290 0.022200 0.012351 0.015155 0.018839 -0.000964 26O 2pz -0.007341 0.053476 0.048206 -0.031949 -0.004153 -0.069311 26O 2px 0.043386 0.269572 0.129741 -0.175701 -0.026461 -0.388408 26O 2py 0.011385 0.129867 0.061430 -0.092351 -0.019271 -0.190626 26O 3pz 0.101062 -0.191068 0.069660 0.131899 0.052616 -0.082385 26O 3px 0.224478 0.013680 0.400480 -0.294507 -0.046461 -0.574864 26O 3py 0.249789 -0.128536 0.228295 -0.255774 -0.135990 -0.153503 26O 1dz2 0.001017 -0.000989 0.000637 0.001373 0.001495 0.001877 26O 1dxz 0.001332 0.000927 0.002604 -0.001163 0.001194 -0.000707 26O 1dyz 0.000955 -0.001509 0.000228 -0.000396 0.000434 0.001271 26O 1dx2y2 -0.000676 0.001117 0.000898 0.001169 0.000227 -0.001817 26O 1dxy 0.001139 0.001071 0.001729 -0.003821 -0.000507 -0.000597 26O 2dz2 -0.071488 0.061827 0.083380 0.039034 0.035592 -0.133493 26O 2dxz 0.031280 0.020922 -0.001969 0.006894 -0.014934 0.047778 26O 2dyz 0.059258 -0.065263 0.005107 -0.036254 -0.060253 0.012710 26O 2dx2y2 -0.072513 -0.023041 0.019083 0.048981 -0.050397 0.109532 26O 2dxy -0.059228 0.002469 -0.003591 0.065827 0.077202 0.090612 26O 1f0 -0.000627 -0.000988 -0.000599 -0.001603 -0.003066 0.002987 26O 1f+1 -0.002498 -0.005262 -0.004573 0.001532 -0.001272 0.010478 26O 1f-1 -0.001347 -0.002529 -0.002708 0.001599 0.001201 0.005269 26O 1f+2 0.000453 0.000969 0.002130 -0.001185 -0.000450 -0.001759 26O 1f-2 -0.000969 0.002177 0.000516 0.000679 0.001046 -0.001125 26O 1f+3 -0.002873 -0.002054 -0.002471 0.001607 -0.002355 0.005950 26O 1f-3 -0.002881 -0.006823 -0.004408 0.004999 0.005005 0.011390 27O 1s 0.001303 0.005190 -0.001591 0.000875 0.002029 -0.003956 27O 2s 0.002550 0.013274 -0.002387 0.002778 0.006717 -0.012942 27O 3s 0.008120 -0.022816 -0.042320 -0.015813 -0.058700 0.097044 27O 4s -0.106060 -0.239846 0.285651 -0.020099 0.160877 -0.294120 27O 5s 0.186698 0.623963 0.611238 0.190039 0.949424 -0.286683 27O 1pz -0.003849 0.002409 0.029683 0.018358 -0.007792 0.034181 27O 1px 0.003850 0.030723 0.009116 0.037971 0.000091 -0.006588 27O 1py -0.033675 0.015947 0.014610 0.003337 0.005266 -0.008848 27O 2pz 0.012389 -0.016393 0.006588 -0.004590 -0.015097 0.011140 27O 2px -0.016861 0.091636 -0.235694 0.101019 -0.217079 0.190854 27O 2py -0.014903 -0.021054 0.052135 -0.025267 0.087709 -0.056508 27O 3pz 0.063663 -0.058670 0.033932 -0.339065 0.148134 -0.054202 27O 3px 0.173509 -0.607655 -0.283013 -0.850021 -0.450243 0.389965 27O 3py -0.038188 0.342681 -0.110702 0.560164 0.140657 -0.397710 27O 1dz2 -0.000815 -0.000413 -0.000084 0.001469 0.001024 0.001389 27O 1dxz 0.000897 -0.001603 -0.000065 -0.003806 -0.000183 -0.000616 27O 1dyz -0.000059 0.001607 -0.000139 0.000982 -0.000335 0.000971 27O 1dx2y2 -0.000085 0.000666 -0.002322 0.000411 -0.000398 0.000255 27O 1dxy -0.001292 0.002303 0.000350 0.004278 0.002809 0.000630 27O 2dz2 0.029725 -0.082070 -0.094133 -0.076261 -0.011385 -0.041638 27O 2dxz -0.027640 -0.027623 0.027111 -0.025812 -0.095226 0.024010 27O 2dyz -0.060007 -0.027570 0.027540 0.051471 0.061343 -0.011808 27O 2dx2y2 0.061330 0.006371 0.008242 -0.028675 0.071199 -0.108701 27O 2dxy 0.044167 0.075220 0.004684 0.039147 -0.047773 0.091124 27O 1f0 -0.000215 -0.001515 -0.001023 -0.001408 -0.004264 0.001774 27O 1f+1 0.000426 0.002120 0.006742 0.001054 0.003044 -0.005244 27O 1f-1 -0.000159 -0.000450 -0.001987 -0.000256 0.000762 0.001256 27O 1f+2 0.001916 -0.000852 -0.001052 -0.000906 0.004900 -0.000281 27O 1f-2 0.000407 -0.000914 -0.000425 -0.001898 -0.000409 0.000829 27O 1f+3 0.000609 0.002031 0.005230 0.002023 0.006451 -0.008524 27O 1f-3 0.000090 -0.000221 -0.002132 0.000756 -0.007274 0.006236 28O 1s 0.001776 -0.001055 -0.000147 -0.000246 0.001818 0.002801 28O 2s 0.003938 -0.003750 -0.002613 0.000350 0.005530 0.011292 28O 3s 0.001855 0.035942 0.065069 -0.019227 -0.033641 -0.113346 28O 4s -0.095257 -0.041396 -0.289580 0.066095 0.044237 0.430542 28O 5s 0.375705 -0.915319 -1.026258 0.246692 0.441072 -0.140499 28O 1pz -0.005027 0.003497 0.009282 0.000744 0.004039 -0.033140 28O 1px -0.010444 0.015662 0.014523 -0.011501 0.006987 -0.033554 28O 1py 0.033231 -0.012924 -0.011569 -0.022267 -0.014227 -0.011590 28O 2pz 0.002847 0.072297 0.214696 0.000314 -0.064558 -0.147942 28O 2px -0.010945 -0.058734 -0.209655 -0.007846 0.071498 0.119117 28O 2py 0.014471 0.020546 0.048101 -0.033648 -0.027343 -0.024809 28O 3pz -0.020659 0.547533 0.212713 -0.631831 -0.271283 -0.450727 28O 3px 0.077043 -0.521388 -0.425808 0.283866 0.182884 0.288797 28O 3py -0.200203 0.171436 0.010496 0.020339 0.002999 -0.284068 28O 1dz2 -0.000581 0.003417 0.001880 -0.003111 0.001081 -0.000287 28O 1dxz -0.000685 -0.001803 -0.002095 0.002642 0.001588 0.000274 28O 1dyz 0.001058 0.002842 0.000404 -0.002856 -0.001850 0.001589 28O 1dx2y2 -0.000301 -0.000606 0.000659 0.001273 0.000502 0.000082 28O 1dxy -0.000076 -0.000735 -0.000673 0.001973 0.001803 -0.000409 28O 2dz2 -0.004118 -0.081586 -0.084822 0.063791 -0.059213 0.035159 28O 2dxz 0.050845 0.029739 0.012424 -0.037328 -0.149630 -0.078216 28O 2dyz 0.008531 0.039153 0.054461 -0.063294 -0.040868 0.018221 28O 2dx2y2 0.085519 -0.098578 -0.150469 -0.003323 -0.062466 -0.027942 28O 2dxy 0.008364 0.059876 0.034892 0.028058 0.109473 -0.114118 28O 1f0 -0.000884 -0.002749 -0.003583 0.004045 0.004678 0.001472 28O 1f+1 0.000439 -0.003774 -0.006648 -0.001273 -0.000394 0.006866 28O 1f-1 0.000477 -0.002738 0.000304 0.000717 -0.001638 0.000565 28O 1f+2 -0.000280 0.006365 0.007185 -0.000248 -0.003426 -0.008547 28O 1f-2 -0.000894 -0.000355 -0.000328 0.002639 0.002840 0.002464 28O 1f+3 -0.000608 0.003194 0.004985 -0.000665 -0.003029 -0.002475 28O 1f-3 -0.000181 -0.000165 0.001098 0.001395 0.001266 0.001529 29O 1s 0.002625 -0.006791 0.000251 -0.004829 0.000764 -0.000416 29O 2s 0.006235 -0.017584 0.000137 -0.011652 0.002031 -0.000746 29O 3s -0.001018 0.037788 0.012065 0.004973 -0.005067 -0.006455 29O 4s -0.172664 0.299199 -0.043679 0.299654 -0.026214 0.055000 29O 5s 0.547830 -1.265429 -0.071730 -0.871882 0.103680 -0.098186 29O 1pz 0.006784 -0.006750 -0.000819 -0.008147 -0.010969 0.033172 29O 1px -0.020463 -0.006560 0.000070 0.036515 -0.011034 0.018061 29O 1py -0.029174 0.002803 -0.031192 0.035170 -0.006808 0.007567 29O 2pz -0.021063 0.035092 -0.022367 0.021224 0.122335 -0.180998 29O 2px 0.023576 -0.068843 -0.013490 -0.052124 0.054320 -0.067994 29O 2py -0.005534 0.031427 0.014617 0.026631 -0.018982 0.012655 29O 3pz -0.013650 -0.049191 -0.010050 -0.057658 0.238211 -0.367255 29O 3px -0.137602 0.356325 -0.089360 0.437496 0.039567 -0.089155 29O 3py -0.057435 0.267688 0.106828 -0.028203 -0.014023 0.002409 29O 1dz2 -0.000740 0.000957 -0.000630 0.001863 0.000405 -0.001513 29O 1dxz -0.000134 -0.001268 -0.000597 0.001049 -0.001494 0.003307 29O 1dyz 0.000073 0.000329 0.000523 -0.001274 0.000232 0.000573 29O 1dx2y2 0.001243 -0.000338 0.001341 -0.002762 -0.000261 0.001407 29O 1dxy 0.000126 -0.001626 -0.001381 0.001683 -0.000541 0.000217 29O 2dz2 0.055735 -0.093230 -0.010493 -0.058410 -0.083844 0.071447 29O 2dxz -0.003304 -0.072018 -0.049250 0.057671 0.089946 -0.015783 29O 2dyz 0.053753 -0.021671 0.055227 -0.055502 -0.150814 0.239845 29O 2dx2y2 0.090620 -0.030379 0.029936 -0.153550 0.042381 -0.024469 29O 2dxy -0.112021 0.059719 -0.027546 0.157695 -0.113473 0.129391 29O 1f0 0.000854 0.002854 0.001950 -0.001438 0.000582 -0.001927 29O 1f+1 -0.001048 -0.000797 -0.001239 0.001437 0.000732 -0.001131 29O 1f-1 -0.001307 0.003648 0.000193 0.001220 0.005034 -0.008407 29O 1f+2 -0.000196 -0.002117 -0.000687 0.000704 -0.002944 0.004571 29O 1f-2 0.000754 0.001116 0.003004 -0.001793 -0.007612 0.010009 29O 1f+3 0.000181 -0.001702 -0.001245 -0.000015 0.002943 -0.003846 29O 1f-3 -0.000082 -0.000622 -0.000513 -0.001830 0.004226 -0.004721 30O 1s -0.000824 -0.004743 0.003674 -0.002513 -0.000399 -0.002053 30O 2s -0.003135 -0.011505 0.010476 -0.005054 0.000753 -0.008839 30O 3s 0.041534 0.000920 -0.050948 -0.026810 -0.050077 0.107329 30O 4s -0.136227 0.282873 -0.000255 0.272078 0.245774 -0.444582 30O 5s -1.340424 -0.182819 0.983950 0.549633 0.718360 -0.585346 30O 1pz 0.002025 -0.028218 -0.012374 -0.036732 0.010121 -0.028727 30O 1px -0.015808 0.023299 -0.014321 0.014076 -0.004020 -0.000428 30O 1py 0.022781 -0.012179 -0.011042 0.002978 -0.009689 -0.035095 30O 2pz 0.138440 -0.093659 -0.076472 -0.164438 -0.110495 0.160235 30O 2px -0.161332 0.124619 0.068317 0.160268 0.139662 -0.219861 30O 2py -0.140966 0.084590 0.087576 0.149749 0.151200 -0.203184 30O 3pz 0.169869 0.330624 -0.277722 0.306253 -0.225558 0.328467 30O 3px -0.313558 -0.094449 0.291041 0.265824 0.330913 -0.218402 30O 3py -0.217064 -0.251988 0.371493 -0.193852 0.127769 -0.043317 30O 1dz2 0.001280 -0.000595 -0.001848 -0.001130 0.002141 -0.001478 30O 1dxz -0.001028 0.001842 0.000715 0.001646 0.000817 -0.001549 30O 1dyz -0.002599 -0.000678 0.002898 0.002154 0.000521 0.002273 30O 1dx2y2 -0.001676 -0.002476 0.002213 0.000137 0.001735 0.001712 30O 1dxy 0.001494 -0.001554 -0.000762 -0.001452 -0.002107 0.001795 30O 2dz2 0.041049 0.100992 0.065755 -0.037722 0.062933 0.007142 30O 2dxz 0.042517 0.072435 0.093875 -0.012636 -0.103967 0.139742 30O 2dyz 0.046961 -0.057298 -0.071356 -0.020553 -0.004030 0.034108 30O 2dx2y2 -0.087065 0.016770 0.120604 -0.037611 -0.007120 0.093313 30O 2dxy -0.056188 0.106918 0.126618 0.086509 -0.010465 -0.070763 30O 1f0 -0.003906 0.001660 0.002546 0.002225 0.004089 -0.005626 30O 1f+1 -0.001808 0.001479 0.003152 0.001111 -0.001344 0.000360 30O 1f-1 -0.000409 0.000900 0.000907 0.002841 -0.002575 0.000583 30O 1f+2 0.003344 0.000102 -0.003904 -0.001708 -0.001016 0.002614 30O 1f-2 0.005572 -0.001625 -0.006979 -0.002973 -0.007072 0.009576 30O 1f+3 0.000766 -0.001605 -0.000674 -0.001018 0.002360 -0.004699 30O 1f-3 0.004358 -0.001197 -0.004697 -0.002234 -0.004360 0.006407 31O 1s -0.000475 0.004638 -0.003731 -0.002313 0.000442 -0.001997 31O 2s -0.001879 0.011207 -0.010632 -0.004572 -0.000657 -0.008787 31O 3s 0.030899 0.000200 0.051065 -0.026836 0.050335 0.109477 31O 4s -0.102065 -0.281725 0.002548 0.259938 -0.248364 -0.457306 31O 5s -1.258390 0.170043 -0.950448 0.558367 -0.746285 -0.609971 31O 1pz 0.000828 -0.029096 -0.012184 0.037147 0.009156 0.028525 31O 1px 0.017488 0.023030 -0.015379 -0.012784 -0.003801 -0.000031 31O 1py -0.023821 -0.012482 -0.010363 -0.002799 -0.009574 0.034822 31O 2pz -0.119943 -0.095139 -0.072972 0.162710 -0.114860 -0.164721 31O 2px 0.138432 0.124535 0.064065 -0.156477 0.142972 0.226136 31O 2py 0.119760 0.084941 0.084000 -0.146199 0.154549 0.207636 31O 3pz -0.188370 0.334549 -0.280552 -0.306623 -0.220866 -0.335171 31O 3px 0.309175 -0.092024 0.279715 -0.267576 0.342621 0.234050 31O 3py 0.250621 -0.247099 0.371468 0.187409 0.127443 0.050894 31O 1dz2 0.001206 0.000673 0.001838 -0.001239 -0.002063 -0.001505 31O 1dxz -0.000861 -0.001823 -0.000677 0.001606 -0.000857 -0.001560 31O 1dyz -0.002636 0.000598 -0.002822 0.002211 -0.000683 0.002232 31O 1dx2y2 -0.001610 0.002407 -0.002164 0.000169 -0.001813 0.001696 31O 1dxy 0.001364 0.001502 0.000668 -0.001341 0.002151 0.001804 31O 2dz2 0.041261 -0.097835 -0.066282 -0.042976 -0.060708 0.006462 31O 2dxz 0.045641 -0.074124 -0.094695 -0.008603 0.105867 0.143173 31O 2dyz 0.034356 0.057002 0.070458 -0.020239 0.003451 0.033743 31O 2dx2y2 -0.076135 -0.017691 -0.117733 -0.035444 0.007716 0.094361 31O 2dxy -0.056101 -0.107868 -0.125598 0.086303 0.008497 -0.073356 31O 1f0 0.003409 0.001649 0.002488 -0.002126 0.004155 0.005769 31O 1f+1 0.001676 0.001543 0.003166 -0.001179 -0.001317 -0.000387 31O 1f-1 0.000310 0.000968 0.000863 -0.002984 -0.002503 -0.000588 31O 1f+2 -0.003257 0.000066 -0.003825 0.001806 -0.001115 -0.002694 31O 1f-2 -0.004718 -0.001682 -0.006949 0.002958 -0.007117 -0.009825 31O 1f+3 -0.000889 -0.001632 -0.000585 0.001088 0.002267 0.004761 31O 1f-3 -0.003886 -0.001243 -0.004628 0.002200 -0.004424 -0.006576 32O 1s 0.001722 0.006763 -0.000514 -0.004573 -0.000541 -0.000539 32O 2s 0.003904 0.017503 -0.000789 -0.010941 -0.001539 -0.001051 32O 3s 0.003759 -0.037459 -0.011422 0.002353 0.006036 -0.006138 32O 4s -0.132348 -0.298769 0.057999 0.293588 0.006921 0.063640 32O 5s 0.382695 1.262221 0.028403 -0.830373 -0.057164 -0.132077 32O 1pz -0.009073 -0.006882 0.000067 0.008363 -0.011000 -0.032549 32O 1px 0.020204 -0.005926 -0.000749 -0.035948 -0.009721 -0.018202 32O 1py 0.027895 0.002954 -0.032882 -0.034567 -0.005440 -0.008516 32O 2pz 0.020424 0.032804 -0.024287 -0.017623 0.121839 0.178693 32O 2px -0.013230 -0.069461 -0.011173 0.049587 0.051240 0.067871 32O 2py 0.001660 0.031922 0.012925 -0.024021 -0.016142 -0.008160 32O 3pz 0.038252 -0.057606 -0.007823 0.062149 0.234008 0.368986 32O 3px 0.096326 0.353473 -0.109215 -0.424850 0.057220 0.083318 32O 3py 0.024070 0.266283 0.104752 0.034217 -0.003721 -0.005402 32O 1dz2 -0.000855 -0.000923 0.000680 0.001845 -0.000445 -0.001462 32O 1dxz 0.000121 0.001210 0.000635 0.001072 0.001478 0.003337 32O 1dyz 0.000200 -0.000339 -0.000509 -0.001225 -0.000195 0.000586 32O 1dx2y2 0.001338 0.000336 -0.001421 -0.002677 0.000372 0.001461 32O 1dxy -0.000011 0.001630 0.001434 0.001673 0.000555 0.000312 32O 2dz2 0.041459 0.092064 0.010023 -0.049645 0.078534 0.056935 32O 2dxz -0.006889 0.071853 0.050716 0.057281 -0.095867 -0.021989 32O 2dyz 0.061777 0.024369 -0.058368 -0.053918 0.152920 0.239057 32O 2dx2y2 0.087719 0.031394 -0.035830 -0.153079 -0.038444 -0.032091 32O 2dxy -0.098125 -0.060005 0.034618 0.151218 0.103280 0.130674 32O 1f0 -0.001189 0.002601 0.001968 0.001698 0.000117 0.001461 32O 1f+1 0.001294 -0.000915 -0.001400 -0.001554 0.001065 0.001355 32O 1f-1 0.001068 0.003681 0.000213 -0.000838 0.004753 0.008133 32O 1f+2 0.000253 -0.002228 -0.000748 -0.000810 -0.002767 -0.004534 32O 1f-2 -0.001181 0.001138 0.003043 0.001743 -0.007791 -0.010058 32O 1f+3 0.000168 -0.001683 -0.001127 -0.000090 0.002659 0.003499 32O 1f-3 0.000314 -0.000636 -0.000448 0.001828 0.004233 0.004865 33O 1s 0.001027 0.000980 0.000167 -0.000437 -0.001655 0.002835 33O 2s 0.002061 0.003503 0.002699 -0.000231 -0.005200 0.011350 33O 3s 0.003645 -0.034502 -0.065826 -0.015804 0.034994 -0.112940 33O 4s -0.056969 0.038617 0.290524 0.059923 -0.059649 0.426653 33O 5s 0.325755 0.919907 1.034208 0.208333 -0.448154 -0.131915 33O 1pz 0.003284 0.002596 0.008403 -0.001643 0.004222 0.033392 33O 1px 0.004530 0.015003 0.014507 0.010540 0.007570 0.033417 33O 1py -0.029281 -0.013357 -0.010444 0.021634 -0.014491 0.011917 33O 2pz 0.009761 0.072051 0.213375 -0.007528 -0.069414 0.148007 33O 2px -0.008171 -0.059106 -0.208852 0.014278 0.076403 -0.118039 33O 2py -0.011194 0.019610 0.048954 0.031152 -0.029446 0.025124 33O 3pz -0.033693 0.540501 0.240428 0.619907 -0.283383 0.454847 33O 3px -0.031178 -0.520332 -0.437248 -0.272418 0.196852 -0.287497 33O 3py 0.152558 0.170327 0.013589 -0.022818 0.007721 0.288040 33O 1dz2 -0.000215 -0.003380 -0.001950 -0.003076 -0.001042 -0.000361 33O 1dxz -0.000616 0.001840 0.002219 0.002602 -0.001772 0.000314 33O 1dyz 0.001248 -0.002796 -0.000499 -0.002797 0.001908 0.001585 33O 1dx2y2 -0.000504 0.000568 -0.000608 0.001244 -0.000468 0.000107 33O 1dxy -0.000058 0.000706 0.000756 0.001867 -0.001892 -0.000401 33O 2dz2 -0.002883 0.077102 0.082738 0.061851 0.055998 0.032796 33O 2dxz 0.038681 -0.032087 -0.015886 -0.033092 0.152514 -0.079524 33O 2dyz 0.006626 -0.036743 -0.053813 -0.059613 0.042659 0.019054 33O 2dx2y2 0.068799 0.096130 0.147915 -0.004429 0.063036 -0.030413 33O 2dxy 0.002792 -0.059566 -0.033643 0.025903 -0.107852 -0.118167 33O 1f0 0.000614 -0.002720 -0.003710 -0.003769 0.004780 -0.001483 33O 1f+1 -0.000513 -0.003699 -0.006517 0.001482 -0.000485 -0.006887 33O 1f-1 -0.000213 -0.002695 0.000294 -0.000784 -0.001656 -0.000574 33O 1f+2 0.000338 0.006346 0.007243 -0.000046 -0.003468 0.008587 33O 1f-2 0.000857 -0.000321 -0.000469 -0.002535 0.003001 -0.002389 33O 1f+3 0.000632 0.003191 0.005023 0.000467 -0.003070 0.002481 33O 1f-3 0.000138 -0.000143 0.001003 -0.001310 0.001359 -0.001596 34O 1s 0.001190 -0.005053 0.001566 0.000716 -0.001975 -0.004089 34O 2s 0.002263 -0.012926 0.002324 0.002350 -0.006577 -0.013313 34O 3s 0.008214 0.022516 0.042937 -0.014724 0.058246 0.098747 34O 4s -0.107046 0.233251 -0.289460 -0.015681 -0.159685 -0.294951 34O 5s 0.226243 -0.627434 -0.627376 0.180985 -0.954312 -0.315276 34O 1pz 0.001715 0.003140 0.029797 -0.018922 -0.006639 -0.034687 34O 1px -0.004207 0.030819 0.008363 -0.037516 0.001037 0.007446 34O 1py 0.031288 0.016034 0.013698 -0.002693 0.005452 0.008956 34O 2pz -0.011863 -0.016935 0.006791 0.004466 -0.015191 -0.011319 34O 2px 0.014392 0.087576 -0.244028 -0.098115 -0.212646 -0.194004 34O 2py 0.014044 -0.020022 0.053999 0.025885 0.086493 0.057783 34O 3pz -0.055331 -0.059179 0.042661 0.339438 0.141301 0.052891 34O 3px -0.119985 -0.609802 -0.262069 0.835886 -0.476210 -0.408132 34O 3py 0.022375 0.337648 -0.125652 -0.552149 0.155059 0.409987 34O 1dz2 -0.000703 0.000360 0.000133 0.001473 -0.001106 0.001376 34O 1dxz 0.000716 0.001645 -0.000035 -0.003821 0.000292 -0.000613 34O 1dyz 0.000174 -0.001608 0.000174 0.000953 0.000318 0.001016 34O 1dx2y2 0.000003 -0.000617 0.002326 0.000320 0.000436 0.000260 34O 1dxy -0.000933 -0.002287 -0.000186 0.004192 -0.002972 0.000573 34O 2dz2 0.019949 0.088245 0.095927 -0.079183 0.011663 -0.043490 34O 2dxz -0.024008 0.028224 -0.025088 -0.022995 0.096138 0.023292 34O 2dyz -0.051261 0.023608 -0.026812 0.052934 -0.063103 -0.013612 34O 2dx2y2 0.059791 -0.003089 -0.009454 -0.031492 -0.069399 -0.109814 34O 2dxy 0.038401 -0.074675 -0.004743 0.039082 0.048223 0.093198 34O 1f0 0.000576 -0.001507 -0.001003 0.001276 -0.004309 -0.001802 34O 1f+1 -0.000510 0.002174 0.006845 -0.001159 0.002959 0.005360 34O 1f-1 0.000131 -0.000428 -0.001985 0.000290 0.000787 -0.001283 34O 1f+2 -0.001798 -0.000861 -0.000998 0.001031 0.004843 0.000317 34O 1f-2 -0.000052 -0.000912 -0.000395 0.001896 -0.000449 -0.000930 34O 1f+3 -0.000895 0.002047 0.005339 -0.002057 0.006440 0.008726 34O 1f-3 0.000099 -0.000235 -0.002216 -0.000894 -0.007202 -0.006445 35O 1s -0.000125 0.001439 0.000507 -0.001160 0.000916 0.002330 35O 2s -0.000505 0.006077 0.001975 -0.002118 0.002116 0.008999 35O 3s 0.010883 -0.071886 -0.030999 -0.023603 0.004888 -0.108712 35O 4s -0.023083 0.283075 0.103492 0.174150 -0.076364 0.426033 35O 5s -0.379678 0.709205 0.842904 0.825141 0.108691 1.399364 35O 1pz 0.012549 -0.005575 -0.019926 -0.008776 -0.000939 -0.004205 35O 1px 0.003623 -0.004223 -0.011928 0.012962 -0.002024 0.001582 35O 1py 0.029020 0.022683 0.011807 -0.014011 0.018607 0.001114 35O 2pz 0.006012 0.051699 0.048471 0.030914 -0.005241 0.068984 35O 2px -0.059418 0.260944 0.133601 0.169857 -0.027727 0.391075 35O 2py -0.016515 0.125496 0.063217 0.089904 -0.021487 0.191787 35O 3pz -0.066632 -0.186938 0.066604 -0.125273 0.051062 0.074789 35O 3px -0.167994 0.005530 0.408563 0.283685 -0.062734 0.575718 35O 3py -0.220954 -0.128161 0.240544 0.246860 -0.147239 0.146704 35O 1dz2 0.000802 0.000937 -0.000592 0.001396 -0.001451 0.001848 35O 1dxz 0.001195 -0.000902 -0.002624 -0.001186 -0.001060 -0.000682 35O 1dyz 0.000686 0.001507 -0.000203 -0.000387 -0.000295 0.001258 35O 1dx2y2 -0.000397 -0.001078 -0.000870 0.001173 -0.000409 -0.001826 35O 1dxy 0.001244 -0.000992 -0.001840 -0.003786 0.000689 -0.000555 35O 2dz2 -0.056786 -0.061194 -0.081534 0.037480 -0.037401 -0.133712 35O 2dxz 0.018285 -0.023133 0.002430 0.004494 0.015445 0.044444 35O 2dyz 0.054098 0.065463 -0.006805 -0.033481 0.062259 0.015791 35O 2dx2y2 -0.066370 0.018701 -0.018887 0.049816 0.046665 0.108544 35O 2dxy -0.053319 -0.003170 0.006591 0.063436 -0.078710 0.090178 35O 1f0 0.000558 -0.000960 -0.000537 0.001584 -0.003159 -0.003048 35O 1f+1 0.002454 -0.005103 -0.004585 -0.001483 -0.001192 -0.010458 35O 1f-1 0.001053 -0.002469 -0.002771 -0.001404 0.001280 -0.005356 35O 1f+2 -0.000278 0.000960 0.002147 0.001080 -0.000429 0.001772 35O 1f-2 0.000894 0.002156 0.000469 -0.000666 0.001150 0.001175 35O 1f+3 0.002676 -0.001978 -0.002487 -0.001600 -0.002339 -0.005982 35O 1f-3 0.002678 -0.006650 -0.004565 -0.004774 0.005165 -0.011378 330 331 332 333 334 335 1.56257 1.56926 1.57283 1.58008 1.58377 1.59635 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s -0.001237 0.000669 -0.000165 -0.000331 0.000198 -0.000918 0Rh 2s 0.005184 -0.002242 0.000747 0.001066 -0.001522 0.003777 0Rh 3s -0.004074 0.002551 -0.000508 -0.001290 0.000224 -0.003068 0Rh 4s -0.024729 0.010573 -0.003594 -0.005080 0.007384 -0.018018 0Rh 5s 0.024062 -0.006310 0.004136 0.003439 -0.011891 0.016923 0Rh 6s 0.060943 -0.038567 0.005451 0.016428 0.003218 0.044217 0Rh 7s -0.714198 -0.093030 -0.103081 -0.202629 -0.368388 0.109561 0Rh 8s 0.224352 -0.343035 0.077500 0.055312 -0.642708 0.357159 0Rh 1pz -0.000805 -0.002153 0.003179 -0.004377 -0.006602 -0.002068 0Rh 1px 0.001095 0.006666 0.000063 -0.001034 0.009848 -0.010335 0Rh 1py 0.005798 0.003682 0.003183 0.003582 0.001255 -0.001290 0Rh 2pz 0.003026 0.007192 -0.011531 0.014852 0.022547 0.007540 0Rh 2px -0.004265 -0.022139 -0.000476 0.003206 -0.032923 0.034725 0Rh 2py -0.020306 -0.012625 -0.010946 -0.012615 -0.004206 0.004455 0Rh 3pz -0.006652 0.001036 0.016306 -0.002502 -0.006768 -0.012313 0Rh 3px 0.012617 -0.006118 0.005266 0.005904 -0.004939 0.001518 0Rh 3py 0.015907 0.005175 0.004668 0.010959 -0.000728 -0.001956 0Rh 4pz 0.009269 -0.045550 0.008427 -0.076069 -0.104277 0.007315 0Rh 4px -0.028357 0.153216 -0.016419 -0.042682 0.213103 -0.208968 0Rh 4py 0.058376 0.050706 0.046123 0.034121 0.030100 -0.021039 0Rh 5pz -0.031362 0.068895 0.002775 0.106759 0.149001 -0.044864 0Rh 5px 0.080231 -0.243640 0.029477 0.072053 -0.347822 0.325748 0Rh 5py -0.056753 -0.061511 -0.061670 -0.042733 -0.061105 0.042644 0Rh 6pz 0.315123 -0.136162 -1.146119 0.213411 0.139402 1.140661 0Rh 6px -0.282155 0.768254 -0.299575 0.167115 1.434047 -0.742698 0Rh 6py -1.425292 -0.188725 -0.368989 -0.753642 0.528313 -0.403615 0Rh 1dz2 0.005357 -0.006420 -0.011453 0.004086 -0.003550 0.003168 0Rh 1dxz 0.002756 -0.005714 0.002747 0.000969 -0.001430 0.009359 0Rh 1dyz 0.005730 -0.002418 -0.009486 0.002875 0.001288 0.009084 0Rh 1dx2y2 -0.005801 0.009594 -0.003364 -0.000201 0.006256 -0.005345 0Rh 1dxy 0.001520 0.012085 -0.001025 0.002641 0.013928 -0.012429 0Rh 2dz2 -0.000730 0.002414 0.001771 -0.000007 0.001972 -0.001761 0Rh 2dxz -0.000682 0.002511 -0.000347 -0.000797 0.002642 -0.002384 0Rh 2dyz -0.000184 0.001030 0.000798 -0.000279 0.000752 -0.000416 0Rh 2dx2y2 0.001325 -0.003745 0.000359 -0.000385 -0.003631 0.003671 0Rh 2dxy -0.000413 -0.001067 0.000422 -0.000060 -0.001594 0.001991 0Rh 3dz2 -0.009309 0.004348 0.019036 -0.009509 -0.000413 0.000341 0Rh 3dxz -0.003506 0.002253 -0.004816 0.001097 -0.008321 -0.011400 0Rh 3dyz -0.012527 0.001154 0.018582 -0.005526 -0.006287 -0.019475 0Rh 3dx2y2 0.007761 -0.005746 0.006337 0.002101 0.001491 -0.003725 0Rh 3dxy -0.001645 -0.023579 0.000572 -0.005844 -0.025612 0.020471 0Rh 4dz2 -0.014805 0.042495 0.035898 -0.004001 0.033592 -0.029676 0Rh 4dxz -0.011166 0.043648 -0.009662 -0.010893 0.041362 -0.045808 0Rh 4dyz -0.007423 0.016760 0.020381 -0.005942 0.009130 -0.015486 0Rh 4dx2y2 0.023815 -0.068045 0.007543 -0.004550 -0.062952 0.061184 0Rh 4dxy -0.009790 -0.026044 0.006196 -0.004708 -0.037001 0.040307 0Rh 5dz2 0.050155 -0.183338 -0.152035 0.025842 -0.132176 0.131055 0Rh 5dxz 0.029027 -0.185280 0.075571 0.040512 -0.162144 0.197934 0Rh 5dyz 0.017003 -0.055689 -0.083893 0.020457 -0.004158 0.099313 0Rh 5dx2y2 -0.089006 0.314951 -0.023610 -0.004096 0.274724 -0.248182 0Rh 5dxy 0.082518 0.099083 -0.015761 0.039542 0.166589 -0.158009 0Rh 1f0 -0.008152 0.004560 0.022381 -0.017278 -0.015591 -0.020314 0Rh 1f+1 -0.011025 -0.033640 0.022068 -0.025688 -0.063318 -0.034132 0Rh 1f-1 -0.008126 0.004676 -0.047055 -0.026854 0.005929 0.033648 0Rh 1f+2 -0.024527 -0.013238 0.023755 -0.007576 0.000526 0.043696 0Rh 1f-2 -0.015439 -0.007967 0.001142 -0.012699 -0.027783 0.028648 0Rh 1f+3 -0.015516 -0.026398 -0.017300 -0.021884 -0.010649 0.001739 0Rh 1f-3 0.020091 -0.004224 0.017756 0.012070 -0.027831 0.029283 1Rh 1s -0.001235 -0.000670 -0.000142 -0.000345 -0.000171 0.001058 1Rh 2s 0.005176 0.002238 0.000702 0.001172 0.001430 -0.004238 1Rh 3s -0.004065 -0.002556 -0.000402 -0.001306 -0.000125 0.003606 1Rh 4s -0.024691 -0.010549 -0.003389 -0.005591 -0.006946 0.020211 1Rh 5s 0.024036 0.006199 0.004281 0.004264 0.011545 -0.018369 1Rh 6s 0.060903 0.038975 0.003694 0.016140 -0.004473 -0.052010 1Rh 7s -0.722811 0.089639 -0.096513 -0.172291 0.385211 -0.032005 1Rh 8s 0.212249 0.344561 0.077056 0.113082 0.633744 -0.382585 1Rh 1pz 0.000858 -0.002248 -0.003197 0.003843 -0.006295 -0.003031 1Rh 1px -0.001324 0.006753 0.000027 0.001864 0.009968 -0.010203 1Rh 1py -0.005900 0.003377 -0.003352 -0.003328 0.001307 -0.001364 1Rh 2pz -0.003201 0.007568 0.011589 -0.013026 0.021502 0.010804 1Rh 2px 0.005034 -0.022418 0.000157 -0.005982 -0.033356 0.034113 1Rh 2py 0.020654 -0.011608 0.011529 0.011747 -0.004427 0.004679 1Rh 3pz 0.006624 -0.000052 -0.016233 0.001866 -0.006534 -0.012749 1Rh 3px -0.012555 -0.006416 -0.004930 -0.006307 -0.004275 0.005112 1Rh 3py -0.016014 0.005384 -0.005016 -0.010636 0.000166 -0.001383 1Rh 4pz -0.008232 -0.043865 -0.009230 0.068076 -0.098946 -0.009950 1Rh 4px 0.023629 0.155860 0.016970 0.060679 0.212992 -0.219740 1Rh 4py -0.059959 0.044131 -0.047820 -0.030506 0.028063 -0.024705 1Rh 5pz 0.030313 0.066593 -0.000457 -0.095916 0.141937 -0.020268 1Rh 5px -0.072836 -0.247286 -0.030344 -0.101754 -0.346265 0.347354 1Rh 5py 0.059121 -0.052275 0.062332 0.038387 -0.057431 0.050000 1Rh 6pz -0.319103 -0.124556 1.123736 -0.196783 0.057357 1.188548 1Rh 6px 0.260313 0.769670 0.306171 -0.041411 1.403110 -0.784878 1Rh 6py 1.420536 -0.172597 0.409348 0.744387 0.498174 -0.434945 1Rh 1dz2 0.005114 0.005160 -0.011899 0.004515 0.003382 -0.003396 1Rh 1dxz 0.002792 0.005927 0.002534 0.001223 0.001360 -0.010552 1Rh 1dyz 0.005548 0.001777 -0.009704 0.002742 -0.000859 -0.010034 1Rh 1dx2y2 -0.005571 -0.009762 -0.003016 -0.000767 -0.005985 0.006327 1Rh 1dxy 0.001814 -0.012256 -0.000907 0.001816 -0.014089 0.012426 1Rh 2dz2 -0.000680 -0.002244 0.001888 -0.000211 -0.001961 0.001656 1Rh 2dxz -0.000623 -0.002489 -0.000290 -0.001016 -0.002599 0.002629 1Rh 2dyz -0.000167 -0.001004 0.000873 -0.000368 -0.000789 0.000330 1Rh 2dx2y2 0.001226 0.003767 0.000257 -0.000091 0.003607 -0.003866 1Rh 2dxy -0.000452 0.001134 0.000444 0.000007 0.001607 -0.002065 1Rh 3dz2 -0.008966 -0.002141 0.019563 -0.009615 0.000762 0.000643 1Rh 3dxz -0.003854 -0.002837 -0.004568 0.001469 0.008293 0.013156 1Rh 3dyz -0.012176 0.000220 0.018766 -0.004823 0.005447 0.022081 1Rh 3dx2y2 0.007667 0.006051 0.005982 0.002119 -0.002023 0.002260 1Rh 3dxy -0.002163 0.023692 0.000199 -0.004209 0.025934 -0.020146 1Rh 4dz2 -0.013814 -0.038998 0.038084 -0.007486 -0.033390 0.028410 1Rh 4dxz -0.010243 -0.043648 -0.008601 -0.014403 -0.040594 0.049963 1Rh 4dyz -0.007006 -0.015741 0.021631 -0.007039 -0.010057 0.015005 1Rh 4dx2y2 0.022043 0.068465 0.005521 0.000646 0.062412 -0.064566 1Rh 4dxy -0.010594 0.027112 0.006463 -0.002949 0.037373 -0.041228 1Rh 5dz2 0.045781 0.169703 -0.162258 0.039672 0.132701 -0.128105 1Rh 5dxz 0.024345 0.186266 0.070560 0.053824 0.156656 -0.211700 1Rh 5dyz 0.014795 0.050148 -0.088512 0.021545 0.007758 -0.098655 1Rh 5dx2y2 -0.081037 -0.316171 -0.012393 -0.027482 -0.272512 0.260726 1Rh 5dxy 0.085300 -0.103213 -0.017288 0.032073 -0.168559 0.159647 1Rh 1f0 0.007726 0.001311 -0.022539 0.016623 -0.016492 -0.016089 1Rh 1f+1 0.011514 -0.035128 -0.020826 0.020168 -0.062487 -0.041008 1Rh 1f-1 0.008673 0.007136 0.046722 0.028099 0.003633 0.031364 1Rh 1f+2 0.024549 -0.017010 -0.023691 0.007695 -0.002181 0.046366 1Rh 1f-2 0.015498 -0.009404 -0.002861 0.012363 -0.029295 0.024689 1Rh 1f+3 0.016209 -0.024514 0.019008 0.019465 -0.010882 -0.004545 1Rh 1f-3 -0.019270 -0.005721 -0.018151 -0.012715 -0.027905 0.027858 2C 1s -0.009658 0.007282 -0.007506 -0.003109 -0.011744 -0.007323 2C 2s -0.029424 0.021714 -0.022001 -0.008782 -0.034817 -0.020181 2C 3s 0.292357 -0.241623 0.271797 0.081536 0.409569 0.260670 2C 4s -0.639769 0.616039 -0.733715 -0.136296 -1.020057 -0.677421 2C 5s 0.943611 -1.547487 1.732367 0.855371 2.570740 2.763420 2C 1pz -0.136624 0.221360 0.050769 -0.230446 -0.238305 -0.080982 2C 1px -0.072550 -0.004418 -0.122586 0.265539 0.214395 0.114389 2C 1py 0.164107 -0.224307 -0.253363 0.236760 0.055289 -0.231253 2C 2pz 0.521448 -0.746397 -0.142902 0.847141 0.869715 0.345057 2C 2px 0.293913 0.007803 0.513795 -0.855689 -0.696722 -0.351410 2C 2py -0.437057 0.678220 0.872585 -0.715107 -0.113533 0.827901 2C 3pz -0.216638 0.160851 0.375108 -0.219878 0.124203 0.563055 2C 3px -0.159396 -0.005548 -0.164407 0.455818 0.339901 0.266042 2C 3py 0.392122 -0.612264 -0.183467 0.490923 0.495426 0.033217 2C 1dz2 -0.002092 0.004967 0.008795 -0.014534 -0.007373 0.008834 2C 1dxz -0.013259 0.008547 -0.006987 0.003081 0.006437 0.008934 2C 1dyz -0.002612 -0.000724 0.004212 -0.003136 -0.001265 -0.002653 2C 1dx2y2 -0.000488 0.011426 0.010602 -0.023231 -0.015121 -0.001670 2C 1dxy 0.008032 -0.009676 -0.014430 0.014408 0.007761 -0.007788 2C 2dz2 -0.093461 0.067713 0.133423 -0.047751 0.083386 0.168037 2C 2dxz -0.123316 0.085041 0.178851 0.131210 0.212704 0.342962 2C 2dyz 0.161240 -0.075777 0.203793 -0.121402 0.036738 0.116059 2C 2dx2y2 -0.177893 0.252880 0.142105 -0.368554 -0.303507 -0.108807 2C 2dxy 0.275785 -0.312904 -0.136973 0.320581 0.186058 -0.058779 2C 1f0 -0.013350 0.030932 0.012880 -0.053729 -0.045671 -0.011899 2C 1f+1 0.013661 -0.004327 -0.007698 -0.002154 -0.008845 -0.017547 2C 1f-1 -0.004667 0.002611 -0.024863 0.008475 -0.020445 -0.025194 2C 1f+2 0.020465 -0.017586 0.024039 0.012335 0.044519 0.047197 2C 1f-2 -0.018298 0.020301 -0.017984 0.002941 -0.019985 -0.018204 2C 1f+3 -0.003721 0.000320 0.030764 -0.003538 0.021357 0.031749 2C 1f-3 0.009855 -0.007052 0.003898 -0.010245 -0.014119 -0.012334 3C 1s -0.015087 -0.009689 0.001931 -0.003401 0.000492 -0.010601 3C 2s -0.045816 -0.029229 0.005422 -0.009272 0.001614 -0.031248 3C 3s 0.511649 0.357636 -0.088556 0.109835 0.001064 0.354814 3C 4s -1.288098 -0.995694 0.276769 -0.241120 -0.007619 -0.875117 3C 5s 1.282992 1.749427 -0.713185 1.077226 -0.099804 2.457955 3C 1pz 0.116634 0.013464 0.123710 -0.075328 0.022806 -0.107286 3C 1px -0.084921 -0.382267 0.450051 0.248553 0.146808 -0.063700 3C 1py 0.194048 -0.017714 0.164533 0.122418 0.136587 0.024093 3C 2pz -0.284731 -0.042884 -0.396321 0.335476 -0.059220 0.437981 3C 2px 0.202306 1.209807 -1.443410 -0.883607 -0.544056 0.199913 3C 2py -0.706950 0.057434 -0.515186 -0.521531 -0.415982 -0.157363 3C 3pz 0.424683 0.222484 0.081827 0.055137 0.136868 0.174527 3C 3px -0.158925 -0.549272 0.679897 0.452810 0.261093 0.057916 3C 3py 0.278473 -0.321926 0.415601 -0.015774 0.184266 -0.426346 3C 1dz2 -0.005180 0.001711 -0.004709 0.003293 -0.005479 -0.004239 3C 1dxz 0.001026 -0.017963 0.025507 0.021425 0.011879 -0.005095 3C 1dyz -0.005235 -0.007009 0.004494 0.006219 0.000865 0.008263 3C 1dx2y2 0.010640 -0.002033 0.011503 0.011142 0.005780 -0.006779 3C 1dxy 0.002364 -0.000585 0.001473 -0.010166 -0.005477 -0.000946 3C 2dz2 -0.018409 0.049416 -0.110211 -0.059128 -0.029065 0.018150 3C 2dxz 0.083308 -0.399245 0.537426 0.304747 0.194557 0.022266 3C 2dyz -0.414484 -0.278179 0.115578 0.046861 -0.071010 -0.055401 3C 2dx2y2 0.010691 -0.157967 0.292854 -0.114478 0.033412 -0.160321 3C 2dxy 0.027563 -0.013341 0.079581 -0.031168 0.039365 -0.112705 3C 1f0 0.012478 -0.001062 0.016382 -0.001737 0.010561 -0.007095 3C 1f+1 -0.002150 0.009875 -0.012110 -0.016941 -0.011734 -0.012337 3C 1f-1 -0.018662 -0.008398 -0.011913 -0.019275 -0.004441 0.004435 3C 1f+2 0.042101 0.037711 -0.018068 0.013327 0.007488 0.035717 3C 1f-2 0.036507 0.019620 -0.007820 0.013911 0.009382 0.037128 3C 1f+3 -0.003790 -0.030104 0.038310 0.002210 0.007625 -0.017459 3C 1f-3 -0.017897 -0.030996 0.033761 0.027886 0.008517 -0.004092 4C 1s 0.002207 -0.005930 0.010128 -0.001836 0.012055 0.015986 4C 2s 0.007859 -0.019434 0.032582 -0.004824 0.039383 0.051835 4C 3s -0.126643 0.225129 -0.441560 0.012567 -0.615353 -0.600771 4C 4s 0.494201 -0.527005 1.211750 0.056444 2.012067 1.457715 4C 5s 0.048993 0.494502 -0.471030 -0.565483 -0.955343 -1.183335 4C 1pz 0.119295 -0.068742 -0.055855 0.059476 0.071541 -0.071356 4C 1px 0.062325 -0.046294 -0.013319 0.002274 0.043096 -0.028034 4C 1py -0.149179 0.150116 0.048795 -0.027020 -0.020590 0.179129 4C 2pz -0.031395 -0.055437 0.287394 -0.095997 0.303004 0.470625 4C 2px 0.191507 0.073373 0.636160 0.125417 0.107517 0.282155 4C 2py 0.316045 -0.310420 0.265871 0.203310 0.401143 0.027129 4C 3pz 0.424734 -0.724889 0.516429 0.375798 0.980885 1.287607 4C 3px -0.007460 -0.011719 -0.141162 0.087748 0.489499 0.130738 4C 3py -0.328457 -0.068887 0.312877 0.242686 0.668164 0.966467 4C 1dz2 -0.018129 -0.000592 0.000531 0.018539 0.008728 0.007848 4C 1dxz -0.007253 -0.001349 -0.007686 0.007772 0.000231 -0.005347 4C 1dyz 0.004935 -0.002439 0.002058 -0.008557 0.002450 0.007221 4C 1dx2y2 0.000131 -0.011191 -0.003069 0.023271 0.015937 0.000594 4C 1dxy -0.006308 0.007296 0.009415 -0.014953 -0.002830 0.005359 4C 2dz2 -0.265683 0.061010 -0.388266 -0.003071 -0.154173 -0.278421 4C 2dxz 0.137387 0.020436 0.248429 -0.018346 -0.240154 -0.115082 4C 2dyz -0.027398 0.034921 -0.073161 -0.057151 -0.103288 -0.116319 4C 2dx2y2 0.132955 -0.108605 0.239378 0.155693 0.370005 0.324896 4C 2dxy 0.099069 -0.042546 0.423259 -0.023708 0.100774 0.178647 4C 1f0 0.010020 0.007788 0.000310 -0.017370 -0.019753 -0.009241 4C 1f+1 -0.003443 0.003021 -0.026475 -0.002824 -0.032590 -0.021336 4C 1f-1 -0.006691 0.003314 -0.003698 -0.004266 0.002386 0.015174 4C 1f+2 0.001862 -0.010981 0.001511 -0.004024 0.016171 0.006913 4C 1f-2 -0.000026 -0.000645 0.005115 0.015686 0.010416 0.014910 4C 1f+3 0.003895 -0.006971 -0.013014 -0.000474 -0.002164 0.002164 4C 1f-3 -0.014470 0.004268 -0.030953 0.002248 -0.029965 -0.020058 5C 1s 0.012064 0.014842 -0.006649 0.003776 0.007546 0.010452 5C 2s 0.038834 0.047118 -0.020906 0.012845 0.023343 0.034634 5C 3s -0.513471 -0.552563 0.272801 -0.206782 -0.205138 -0.552407 5C 4s 1.501711 1.470748 -0.746488 0.638321 0.304812 1.940010 5C 5s -0.290704 -0.613458 0.080761 -0.536795 0.106164 -0.686206 5C 1pz -0.169363 0.017388 -0.070103 0.023698 -0.141394 -0.046996 5C 1px -0.014618 0.003539 -0.041116 -0.022466 -0.037925 0.014145 5C 1py -0.103425 0.047764 -0.078269 -0.011861 -0.098118 -0.094467 5C 2pz 0.628469 0.184152 -0.091541 0.283254 0.327431 0.349243 5C 2px -0.354500 -0.057804 0.225153 -0.165475 -0.204780 -0.149459 5C 2py -0.421582 -0.352673 0.363991 -0.238623 0.016790 -0.337159 5C 3pz -0.662415 0.208645 -0.232368 0.189492 -0.171391 0.619269 5C 3px 0.150898 0.360378 -0.156394 0.472255 0.226913 0.274112 5C 3py 0.065492 -0.344952 0.172677 -0.353724 -0.140090 -1.201428 5C 1dz2 0.009829 -0.006887 0.008603 -0.013611 0.008372 0.007151 5C 1dxz -0.000179 0.007364 -0.016856 -0.021225 0.001100 0.002284 5C 1dyz -0.007633 -0.003940 0.003086 0.007604 -0.008099 -0.013491 5C 1dx2y2 0.016246 0.009112 -0.007044 -0.013785 -0.002542 0.019866 5C 1dxy -0.000078 0.000345 -0.001107 -0.002625 -0.005245 0.007780 5C 2dz2 0.101992 -0.030970 0.067444 0.003401 0.077704 -0.034894 5C 2dxz -0.324478 -0.101329 0.035795 -0.332184 -0.151603 -0.226691 5C 2dyz -0.127898 -0.014882 0.034016 -0.113175 -0.107243 -0.077731 5C 2dx2y2 0.039386 0.101965 -0.116771 -0.048984 -0.058625 0.283616 5C 2dxy 0.410359 0.119056 -0.142647 0.410401 0.246315 0.239370 5C 1f0 -0.023741 -0.006186 0.006171 -0.010105 -0.014569 -0.023756 5C 1f+1 -0.013505 -0.012586 0.006972 0.003806 -0.006602 -0.020197 5C 1f-1 0.004317 -0.002352 0.006191 -0.005002 0.001740 0.007024 5C 1f+2 0.010860 -0.004973 0.010477 0.003402 0.002253 0.007279 5C 1f-2 0.026156 0.017778 -0.020949 0.006301 0.001421 0.025071 5C 1f+3 -0.011193 -0.020647 0.010694 0.004667 0.009316 -0.009521 5C 1f-3 0.013961 0.008574 -0.002808 0.029187 0.001089 0.022407 6C 1s 0.012341 -0.015138 -0.005452 0.002301 -0.007228 -0.011389 6C 2s 0.039734 -0.048067 -0.017046 0.008144 -0.022417 -0.037729 6C 3s -0.524391 0.567803 0.220998 -0.150002 0.198034 0.590451 6C 4s 1.532628 -1.516949 -0.588640 0.481828 -0.295723 -2.060830 6C 5s -0.306246 0.618793 -0.004865 -0.483959 -0.079907 0.730912 6C 1pz 0.168797 0.027818 0.070062 -0.029797 -0.138252 -0.047613 6C 1px 0.014321 0.007422 0.038984 0.021559 -0.038147 0.015151 6C 1py 0.102661 0.056532 0.075483 0.008584 -0.099287 -0.094615 6C 2pz -0.630798 0.185614 0.070679 -0.249518 0.327927 0.383917 6C 2px 0.352414 -0.067379 -0.225484 0.149581 -0.193069 -0.158333 6C 2py 0.427575 -0.382602 -0.329213 0.209139 0.019719 -0.390686 6C 3pz 0.649446 0.249496 0.198626 -0.161878 -0.139544 0.586623 6C 3px -0.166496 0.365187 0.132892 -0.428118 0.228063 0.279475 6C 3py -0.050851 -0.372975 -0.112029 0.285610 -0.176546 -1.153234 6C 1dz2 0.009836 0.008098 0.007706 -0.013736 -0.007421 -0.007535 6C 1dxz -0.000295 -0.007618 -0.016561 -0.021385 0.000725 -0.002170 6C 1dyz -0.007722 0.003632 0.002992 0.008461 0.007104 0.013813 6C 1dx2y2 0.016450 -0.008878 -0.005911 -0.014613 0.003678 -0.021576 6C 1dxy -0.000048 -0.000045 -0.000940 -0.002500 0.005646 -0.008816 6C 2dz2 0.101457 0.039377 0.059096 0.003550 -0.072584 0.031782 6C 2dxz -0.327670 0.109540 0.028424 -0.313360 0.161361 0.240522 6C 2dyz -0.128542 0.014631 0.036910 -0.105970 0.102416 0.075246 6C 2dx2y2 0.042704 -0.115675 -0.098434 -0.060221 0.052767 -0.292878 6C 2dxy 0.412622 -0.125080 -0.137377 0.386499 -0.243821 -0.264817 6C 1f0 0.023852 -0.006607 -0.005828 0.008643 -0.014517 -0.025374 6C 1f+1 0.013808 -0.012569 -0.005683 -0.005302 -0.005725 -0.021380 6C 1f-1 -0.004392 -0.003048 -0.005962 0.005150 0.001410 0.007431 6C 1f+2 -0.010822 -0.005829 -0.010080 -0.003332 0.002233 0.007088 6C 1f-2 -0.026290 0.019004 0.018826 -0.004507 0.000821 0.025973 6C 1f+3 0.011718 -0.021357 -0.008110 -0.005782 0.009501 -0.010110 6C 1f-3 -0.014259 0.009386 0.001600 -0.027786 0.002213 0.023525 7C 1s 0.001768 0.006378 0.009787 -0.002434 -0.012500 -0.015376 7C 2s 0.006460 0.020851 0.031449 -0.006770 -0.040852 -0.050247 7C 3s -0.110237 -0.244659 -0.426103 0.044321 0.634359 0.600488 7C 4s 0.454401 0.581125 1.168157 -0.047604 -2.065273 -1.494829 7C 5s 0.085391 -0.479248 -0.450516 -0.515627 1.004057 1.331800 7C 1pz -0.119462 -0.061586 0.066598 -0.064373 0.073687 -0.058244 7C 1px -0.061589 -0.045657 0.021371 -0.006311 0.044702 -0.031311 7C 1py 0.146634 0.142774 -0.067343 0.041512 -0.023067 0.195306 7C 2pz 0.037919 -0.081662 -0.293191 0.125883 0.305232 0.471046 7C 2px -0.186395 0.051085 -0.643305 -0.102485 0.136918 0.297274 7C 2py -0.306063 -0.309327 -0.228763 -0.203532 0.431704 0.013923 7C 3pz -0.413906 -0.739644 -0.460499 -0.344253 1.001362 1.433418 7C 3px 0.002553 -0.017026 0.148624 -0.058474 0.468128 0.193748 7C 3py 0.329781 -0.089637 -0.321874 -0.189554 0.675864 1.097875 7C 1dz2 -0.018077 -0.000393 0.000218 0.018009 -0.010143 -0.007028 7C 1dxz -0.007133 0.000522 -0.008330 0.008224 -0.000869 0.007561 7C 1dyz 0.004874 0.002996 0.001971 -0.008643 -0.001770 -0.007152 7C 1dx2y2 0.000018 0.009728 -0.004464 0.023229 -0.017683 -0.000562 7C 1dxy -0.006433 -0.005716 0.010136 -0.015109 0.003238 -0.004675 7C 2dz2 -0.260900 -0.084553 -0.381835 0.008411 0.168821 0.287954 7C 2dxz 0.133619 -0.009090 0.245709 -0.001005 0.222309 0.167173 7C 2dyz -0.025897 -0.035234 -0.070173 -0.052781 0.113018 0.124073 7C 2dx2y2 0.129843 0.119312 0.227989 0.135093 -0.384047 -0.358606 7C 2dxy 0.094227 0.063355 0.415760 -0.028129 -0.123731 -0.164594 7C 1f0 -0.010360 0.006366 -0.000847 0.016294 -0.020892 -0.010641 7C 1f+1 0.002899 0.004573 0.025845 0.001004 -0.033971 -0.020371 7C 1f-1 0.006345 0.003357 0.003621 0.004728 0.002343 0.014646 7C 1f+2 -0.001271 -0.010894 -0.000967 0.004711 0.015633 0.007924 7C 1f-2 -0.000058 0.000046 -0.005283 -0.014378 0.011045 0.017109 7C 1f+3 -0.004071 -0.006412 0.012888 0.000274 -0.002964 0.003510 7C 1f-3 0.014003 0.006024 0.030416 -0.004042 -0.030854 -0.021615 8C 1s -0.015144 0.009684 0.000770 -0.002556 -0.000480 0.011156 8C 2s -0.045954 0.029154 0.001934 -0.006757 -0.001639 0.032747 8C 3s 0.514021 -0.358396 -0.047706 0.078902 0.000709 -0.371829 8C 4s -1.295302 0.998070 0.166447 -0.157293 -0.003897 0.919038 8C 5s 1.316780 -1.811479 -0.484608 0.894645 0.049761 -2.507982 8C 1pz -0.118270 -0.006432 -0.131143 0.071686 0.020736 -0.105210 8C 1px 0.085841 -0.402645 -0.410074 -0.257639 0.171793 -0.076963 8C 1py -0.195873 -0.032044 -0.163996 -0.115711 0.144067 0.032654 8C 2pz 0.288772 0.021942 0.418102 -0.320461 -0.048335 0.440457 8C 2px -0.205278 1.275978 1.312137 0.909991 -0.622534 0.244887 8C 2py 0.713626 0.097843 0.517277 0.498625 -0.449079 -0.197112 8C 3pz -0.429690 0.198755 -0.119271 -0.033238 0.138165 0.180900 8C 3px 0.159662 -0.578217 -0.627663 -0.457841 0.304939 0.035580 8C 3py -0.271147 -0.360679 -0.380610 -0.007109 0.185757 -0.420865 8C 1dz2 -0.005349 -0.002131 -0.004071 0.003723 0.004976 0.004609 8C 1dxz 0.001155 0.019089 0.023691 0.021721 -0.013616 0.006213 8C 1dyz -0.005180 0.007085 0.003775 0.006315 -0.001308 -0.008346 8C 1dx2y2 0.010658 0.002665 0.011167 0.011072 -0.006397 0.006377 8C 1dxy 0.002501 0.000833 0.001809 -0.009964 0.005601 0.000605 8C 2dz2 -0.019705 -0.049724 -0.100600 -0.055655 0.033552 -0.015209 8C 2dxz 0.087470 0.424947 0.502478 0.310107 -0.227261 -0.015414 8C 2dyz -0.417153 0.274466 0.089202 0.064828 0.056795 0.084893 8C 2dx2y2 0.010398 0.181864 0.277643 -0.105591 -0.033770 0.170259 8C 2dxy 0.030212 0.023841 0.077224 -0.030007 -0.035388 0.120118 8C 1f0 -0.012559 -0.002704 -0.015810 0.002291 0.010242 -0.006677 8C 1f+1 0.001765 0.010627 0.011122 0.016104 -0.012795 -0.011395 8C 1f-1 0.018906 -0.007520 0.013065 0.018475 -0.005613 0.003752 8C 1f+2 -0.042287 0.038534 0.014379 -0.009803 0.007047 0.038465 8C 1f-2 -0.037517 0.020659 0.005701 -0.011380 0.009674 0.039210 8C 1f+3 0.003490 -0.031798 -0.034965 -0.003416 0.008827 -0.018460 8C 1f-3 0.017475 -0.031818 -0.031026 -0.028916 0.011728 -0.005737 9C 1s -0.008921 -0.007435 -0.007082 -0.002766 0.012065 0.008839 9C 2s -0.027149 -0.022156 -0.020748 -0.007803 0.035688 0.024697 9C 3s 0.267021 0.248111 0.257624 0.068658 -0.420079 -0.303787 9C 4s -0.574124 -0.634735 -0.697953 -0.105173 1.048304 0.754386 9C 5s 0.851450 1.599758 1.642497 0.750847 -2.650578 -3.070375 9C 1pz 0.134059 0.199428 -0.072040 0.227799 -0.253145 -0.092218 9C 1px 0.071870 0.027322 0.117192 -0.233353 0.212576 0.181444 9C 1py -0.167275 -0.190777 0.279103 -0.254599 0.067077 -0.241766 9C 2pz -0.513583 -0.676552 0.212982 -0.832704 0.921742 0.413564 9C 2px -0.290512 -0.100162 -0.493442 0.750975 -0.683869 -0.581219 9C 2py 0.446975 0.568436 -0.951314 0.775896 -0.147412 0.878184 9C 3pz 0.221993 0.114332 -0.402231 0.246699 0.113262 0.606089 9C 3px 0.157413 0.049594 0.154136 -0.403664 0.339855 0.381457 9C 3py -0.387836 -0.563003 0.247485 -0.506927 0.527582 0.049715 9C 1dz2 -0.002047 -0.003539 0.009552 -0.014782 0.008181 -0.008324 9C 1dxz -0.013139 -0.009341 -0.005891 0.001477 -0.005585 -0.013730 9C 1dyz -0.002842 0.001082 0.003968 -0.002714 0.000939 0.005235 9C 1dx2y2 -0.000774 -0.009579 0.011992 -0.023041 0.016133 0.003382 9C 1dxy 0.008194 0.007650 -0.015008 0.014087 -0.007637 0.007102 9C 2dz2 -0.097109 -0.054103 0.139821 -0.059372 -0.081929 -0.175482 9C 2dxz -0.128228 -0.085807 0.189407 0.097897 -0.218454 -0.410388 9C 2dyz 0.150590 0.093301 0.200928 -0.116555 -0.044147 -0.095620 9C 2dx2y2 -0.186624 -0.224777 0.168223 -0.361137 0.318784 0.153951 9C 2dxy 0.273137 0.275433 -0.160426 0.318185 -0.197920 0.061269 9C 1f0 0.013165 0.026494 -0.016087 0.052298 -0.048302 -0.015317 9C 1f+1 -0.013547 -0.003455 0.007817 0.001785 -0.009973 -0.020023 9C 1f-1 0.003336 0.004077 0.024461 -0.009176 -0.021194 -0.024830 9C 1f+2 -0.019756 -0.018295 -0.023821 -0.009043 0.045938 0.054897 9C 1f-2 0.016574 0.021177 0.016320 -0.002740 -0.020207 -0.015843 9C 1f+3 0.005436 -0.001088 -0.030765 0.005242 0.022009 0.034461 9C 1f-3 -0.009390 -0.007895 -0.004295 0.008257 -0.012535 -0.017245 10H 1s 0.008207 0.023800 0.005276 -0.061571 -0.081267 -0.066497 10H 2s 0.094990 -0.371132 -0.088205 0.939257 1.059840 0.752496 10H 3s -0.120877 0.337201 0.002809 -0.705564 -0.767487 -0.527454 10H 1pz 0.099951 -0.117471 0.027453 0.056085 0.056839 0.035996 10H 1px 0.015370 0.028807 0.045078 -0.168938 -0.196418 -0.115733 10H 1py -0.113429 0.120720 0.102435 -0.109671 -0.046152 0.045139 11H 1s -0.044526 0.049406 -0.008646 -0.020574 -0.025750 0.004797 11H 2s 0.760152 -0.740397 -0.089737 0.249159 0.249934 -0.274865 11H 3s -0.638318 0.693940 -0.119630 -0.239739 -0.369017 0.074084 11H 1pz -0.013607 -0.000868 0.011376 0.022839 0.061690 0.036515 11H 1px 0.153700 -0.097708 0.057681 -0.064576 -0.047620 0.008144 11H 1py -0.038573 0.135564 0.102092 -0.165646 -0.099167 0.122923 12H 1s 0.024821 -0.029091 -0.072476 0.063297 0.012773 -0.057194 12H 2s -0.366434 0.631747 0.926473 -0.999487 -0.300473 0.516688 12H 3s 0.098427 -0.328255 -0.783258 0.667289 0.135567 -0.485305 12H 1pz 0.056340 -0.155480 -0.138410 0.250251 0.148601 -0.070628 12H 1px -0.090461 0.049636 0.070590 -0.046908 -0.007406 -0.019020 12H 1py 0.018130 0.035483 0.118050 -0.090516 -0.011853 0.101837 13H 1s -0.008008 0.023017 -0.033112 -0.067524 -0.030968 -0.031014 13H 2s 0.066506 -0.629754 0.740493 0.857860 0.361355 0.351577 13H 3s -0.094532 0.366336 -0.516025 -0.630895 -0.183517 -0.287451 13H 1pz -0.011009 0.053792 -0.062378 0.059252 0.010820 0.040176 13H 1px -0.008090 0.186835 -0.218257 -0.157512 -0.082733 -0.035895 13H 1py -0.073026 -0.006718 -0.012135 0.005848 0.003588 -0.017239 14H 1s 0.000063 -0.064948 0.088736 0.026772 0.030864 -0.038096 14H 2s 0.122644 1.081638 -1.396545 -0.459757 -0.409668 0.431526 14H 3s -0.212902 -0.873717 0.994161 0.320994 0.384880 -0.432028 14H 1pz 0.027989 -0.037011 -0.002846 -0.009307 -0.020339 0.058058 14H 1px 0.036986 0.208022 -0.219950 -0.046659 -0.055898 0.046817 14H 1py -0.030534 0.117789 -0.214170 -0.167532 -0.100833 0.078537 15H 1s -0.057352 -0.027540 -0.011540 -0.007176 -0.018237 -0.003270 15H 2s 0.912514 0.325332 0.310458 0.014906 0.265563 0.001843 15H 3s -0.805733 -0.375922 -0.131505 -0.111721 -0.129169 -0.161609 15H 1pz -0.107382 -0.024993 -0.092669 -0.029084 -0.037342 0.035288 15H 1px 0.053872 0.054145 -0.102136 -0.145412 -0.078276 0.071582 15H 1py -0.084333 -0.051461 -0.000608 -0.032150 -0.034861 -0.027821 16H 1s 0.022992 -0.064957 -0.002158 -0.021482 -0.176264 -0.049169 16H 2s -0.176449 0.661310 0.102684 0.170206 1.221371 -0.038798 16H 3s 0.030802 -0.081579 -0.091659 -0.032944 -0.217616 -0.101183 16H 1pz -0.018850 0.053900 -0.010511 0.019876 0.137505 0.043731 16H 1px 0.083196 -0.061668 0.036678 0.023655 -0.099160 0.023073 16H 1py 0.010355 -0.038454 0.046834 0.002393 0.021737 0.087646 17H 1s 0.008285 -0.025845 0.016347 0.011773 0.001937 0.169489 17H 2s -0.056279 0.443640 -0.110126 -0.006770 0.203124 -1.262591 17H 3s -0.029635 -0.005166 0.061225 0.008541 0.067056 0.281571 17H 1pz -0.035005 -0.003104 -0.002810 -0.013531 0.008227 0.042659 17H 1px 0.080749 -0.046719 -0.000390 0.046060 -0.037636 0.159013 17H 1py 0.057514 -0.056869 -0.049331 0.011137 -0.078938 -0.018332 18H 1s 0.005918 0.024644 0.015827 0.011864 -0.000866 -0.169631 18H 2s -0.038749 -0.433712 -0.097228 -0.029879 -0.206399 1.275399 18H 3s -0.030451 0.006129 0.063025 0.002336 -0.065751 -0.288492 18H 1pz 0.035878 -0.001007 0.000747 0.012736 0.007698 0.038494 18H 1px -0.077505 -0.046355 0.000544 -0.046434 -0.037786 0.165367 18H 1py -0.057255 -0.056654 0.050454 -0.016573 -0.080890 -0.014900 19H 1s 0.021589 0.066797 -0.001690 -0.008437 0.176152 0.066420 19H 2s -0.162053 -0.669580 0.106268 0.077731 -1.226036 -0.054306 19H 3s 0.028347 0.080395 -0.090078 -0.019055 0.219772 0.122986 19H 1pz 0.017163 0.055971 0.010894 -0.009574 0.135023 0.053400 19H 1px -0.081986 -0.061040 -0.035192 -0.030455 -0.096359 0.022386 19H 1py -0.009890 -0.037612 -0.042599 -0.002564 0.027564 0.100377 20H 1s -0.057956 0.025378 -0.014753 -0.004573 0.017981 0.006589 20H 2s 0.921749 -0.277229 0.349966 -0.014910 -0.259216 -0.042900 20H 3s -0.811804 0.349694 -0.181295 -0.077015 0.128929 0.194275 20H 1pz 0.109081 -0.014680 0.099126 0.027356 -0.040791 0.033412 20H 1px -0.054993 0.059047 0.091890 0.145131 -0.085544 0.075289 20H 1py 0.084594 -0.049358 0.003859 0.027407 -0.033817 -0.034445 21H 1s -0.000148 0.070218 0.081895 0.029436 -0.034580 0.041454 21H 2s 0.120207 -1.161870 -1.291378 -0.498332 0.470886 -0.470530 21H 3s -0.213461 0.933817 0.903587 0.355766 -0.423859 0.464382 21H 1pz -0.028202 -0.032485 0.005896 0.009393 -0.019392 0.059235 21H 1px -0.036786 0.219241 0.199346 0.053262 -0.064702 0.053341 21H 1py 0.031364 0.130524 0.202883 0.169187 -0.114049 0.080372 22H 1s -0.008539 -0.023022 -0.030390 -0.065788 0.035317 0.030280 22H 2s 0.068678 0.644439 0.674937 0.851597 -0.427920 -0.338720 22H 3s -0.096575 -0.378308 -0.482598 -0.622840 0.231087 0.283165 22H 1pz 0.011354 0.061284 0.061856 -0.053774 0.010573 0.042771 22H 1px 0.008288 0.194540 0.199837 0.159331 -0.097531 -0.030302 22H 1py 0.073853 -0.004670 0.017523 -0.006488 0.001748 -0.020754 23H 1s 0.025944 0.020995 -0.075781 0.064929 -0.013648 0.053332 23H 2s -0.389210 -0.504452 0.989179 -1.013417 0.326776 -0.479757 23H 3s 0.122885 0.229888 -0.826080 0.679163 -0.150433 0.475960 23H 1pz -0.058227 -0.129423 0.156230 -0.251354 0.160755 -0.067056 23H 1px 0.092631 0.036980 -0.070645 0.039666 -0.004471 -0.034370 23H 1py -0.014038 0.022989 -0.124068 0.094797 -0.013795 0.103863 24H 1s -0.043697 -0.048551 -0.003865 -0.023696 0.029244 -0.013604 24H 2s 0.748137 0.715449 -0.162202 0.305403 -0.288718 0.377575 24H 3s -0.617915 -0.682044 -0.054481 -0.276151 0.404627 -0.137512 24H 1pz 0.016183 0.000891 -0.011861 -0.019030 0.062406 0.044363 24H 1px -0.151210 -0.105493 -0.048714 0.051873 -0.043048 -0.012641 24H 1py 0.036605 0.117827 -0.119533 0.175779 -0.110896 0.138288 25H 1s 0.008612 -0.019351 0.006563 -0.054949 0.082656 0.082427 25H 2s 0.086483 0.293807 -0.108934 0.850609 -1.083824 -0.969372 25H 3s -0.109569 -0.281518 0.020711 -0.646932 0.787239 0.689821 25H 1pz -0.097847 -0.113414 -0.016591 -0.059057 0.065124 0.032591 25H 1px -0.017723 0.011138 -0.044637 0.148548 -0.197379 -0.158714 25H 1py 0.114295 0.103313 -0.115001 0.113987 -0.053134 0.041409 26O 1s 0.002119 0.000165 0.001283 0.000281 0.001440 0.001984 26O 2s 0.005248 0.001110 0.002139 0.001091 0.001983 0.002738 26O 3s 0.002811 -0.017897 0.046648 -0.004559 0.046360 0.053037 26O 4s -0.131395 0.062398 -0.358733 0.016639 -0.306629 -0.382076 26O 5s -0.620282 0.299109 -1.244160 -0.386880 -0.689413 -0.546702 26O 1pz -0.015953 -0.007744 -0.037008 0.000563 0.007643 0.031607 26O 1px 0.012570 0.017769 0.027661 -0.003444 0.009369 -0.003653 26O 1py -0.008813 0.000836 -0.013388 0.009735 0.022564 -0.007894 26O 2pz 0.033317 -0.001867 0.066989 0.022035 0.061036 0.028793 26O 2px 0.156122 -0.068807 0.372021 0.028760 0.169695 0.181403 26O 2py 0.043377 -0.029197 0.172438 0.053901 0.110019 0.092515 26O 3pz -0.189516 0.125824 -0.219496 -0.072613 0.238622 -0.138932 26O 3px 0.116531 -0.141440 0.240163 0.107506 0.503039 0.454731 26O 3py 0.218969 0.073567 -0.048038 -0.017799 0.274259 0.250070 26O 1dz2 -0.000189 -0.001536 -0.003280 0.000088 -0.001806 0.000466 26O 1dxz 0.001996 -0.000197 -0.001060 0.001174 0.003783 0.000260 26O 1dyz 0.000064 -0.001314 -0.002602 0.001450 0.000956 0.001682 26O 1dx2y2 0.001408 0.000649 0.003029 -0.001965 0.000801 -0.002215 26O 1dxy 0.000999 0.000787 0.000550 0.002798 0.003673 0.002350 26O 2dz2 0.056718 0.032691 0.119448 -0.153485 0.033405 0.047357 26O 2dxz 0.084834 -0.047815 0.003145 -0.049778 -0.144211 -0.064213 26O 2dyz 0.008332 -0.009250 -0.002412 0.128652 0.130509 0.035387 26O 2dx2y2 0.060266 0.013453 -0.044398 -0.176122 -0.097284 -0.027492 26O 2dxy -0.099954 0.009018 -0.063387 -0.028788 -0.083545 -0.023911 26O 1f0 -0.000637 0.002550 0.001690 -0.001804 -0.002061 0.000121 26O 1f+1 -0.000918 0.001063 -0.004843 -0.001126 -0.006133 -0.002299 26O 1f-1 0.001053 0.001724 -0.002103 0.001141 0.000077 -0.004522 26O 1f+2 0.001497 -0.000631 0.000348 -0.000986 0.001238 0.001566 26O 1f-2 0.000079 -0.000992 0.000906 -0.000772 -0.000282 -0.000127 26O 1f+3 -0.004942 0.004305 -0.001565 -0.003576 -0.002976 0.000211 26O 1f-3 -0.002030 0.000458 -0.008183 0.001105 -0.004958 -0.005326 27O 1s -0.001607 -0.002418 0.000683 -0.002532 -0.002637 0.002003 27O 2s -0.005556 -0.006832 0.002982 -0.007148 -0.006031 0.004101 27O 3s 0.034629 0.034796 -0.030932 0.021638 -0.003141 0.019223 27O 4s -0.043918 -0.051563 0.130905 0.079046 0.148156 -0.169709 27O 5s 0.301253 -0.350957 -0.094549 -0.076820 -0.004121 -0.427360 27O 1pz 0.016257 -0.000166 -0.006763 0.035681 0.032874 0.008781 27O 1px -0.026604 -0.017599 -0.002119 -0.021989 -0.020014 -0.027540 27O 1py -0.021254 0.008311 0.002092 -0.026278 -0.007955 -0.018408 27O 2pz -0.030866 -0.005737 0.006715 0.033621 0.003025 -0.007017 27O 2px -0.107865 0.079459 -0.025464 -0.091632 -0.075959 0.050403 27O 2py 0.016689 -0.033090 0.009519 0.015982 -0.001278 -0.040390 27O 3pz 0.390867 0.089807 0.035910 0.083759 0.048486 -0.031698 27O 3px 0.581305 0.274529 -0.106934 0.335894 -0.040189 0.666909 27O 3py -0.440948 -0.168204 0.167385 -0.297551 -0.231075 -0.123209 27O 1dz2 -0.000525 0.000108 -0.000655 -0.000672 0.001197 -0.000894 27O 1dxz 0.000081 -0.000798 0.001423 0.004231 -0.000832 -0.000330 27O 1dyz 0.000215 0.001648 -0.001264 -0.001970 0.000676 -0.000841 27O 1dx2y2 -0.001997 0.000797 -0.000854 -0.002118 -0.002346 -0.000335 27O 1dxy -0.003198 0.000305 -0.000727 -0.002268 -0.001657 -0.004146 27O 2dz2 -0.080958 -0.104838 0.158335 0.132528 -0.059785 -0.083636 27O 2dxz -0.134923 -0.056847 0.043593 0.088177 -0.074492 -0.050157 27O 2dyz 0.040487 -0.021477 -0.052396 -0.076059 -0.014156 0.034231 27O 2dx2y2 -0.055836 -0.046997 0.043841 0.110650 -0.001312 -0.113235 27O 2dxy -0.023326 0.044671 -0.082470 0.024171 -0.001221 -0.021346 27O 1f0 0.002910 -0.001263 0.002345 0.001451 -0.000336 0.001585 27O 1f+1 -0.001667 -0.004210 0.001289 0.000480 0.000015 -0.001853 27O 1f-1 0.001854 0.001985 -0.002777 -0.001626 -0.000315 0.001464 27O 1f+2 0.000111 0.000964 -0.003662 -0.000007 -0.001012 0.000855 27O 1f-2 0.003462 0.001383 0.000275 0.001251 0.002763 0.000640 27O 1f+3 -0.000690 -0.004917 0.002466 -0.001401 0.000251 -0.001629 27O 1f-3 0.003109 0.002747 -0.000358 0.001977 0.002175 0.000736 28O 1s 0.000052 0.001715 -0.003835 0.001893 0.002496 -0.000215 28O 2s -0.000089 0.004418 -0.011558 0.004228 0.003824 -0.001716 28O 3s -0.001396 -0.016235 0.048293 0.001695 0.053350 0.037427 28O 4s 0.055664 -0.000290 0.015727 -0.120083 -0.386109 -0.207183 28O 5s -0.072604 0.402851 0.138689 0.258939 -0.390509 -0.365538 28O 1pz -0.007207 0.000947 0.018040 0.014064 0.000737 0.008649 28O 1px 0.009785 -0.000838 0.042169 0.005076 0.033107 0.049901 28O 1py 0.011276 0.010636 0.046831 -0.012638 0.005291 0.012963 28O 2pz -0.035895 -0.077431 -0.061283 0.009300 0.125813 0.100080 28O 2px 0.081733 0.040005 0.081573 0.000442 -0.117494 -0.077473 28O 2py -0.042229 -0.005521 0.004997 0.014705 0.025861 0.047335 28O 3pz 0.455497 -0.113161 0.502078 -0.030478 0.328848 0.252621 28O 3px -0.162382 0.065732 -0.160748 0.026538 -0.544100 -0.245494 28O 3py 0.127818 -0.089176 0.280259 -0.121524 0.018138 0.161845 28O 1dz2 0.005309 -0.001606 0.001612 0.000936 0.002130 -0.000520 28O 1dxz -0.001904 0.001118 0.001545 -0.000573 -0.001302 -0.000395 28O 1dyz 0.000395 0.002052 0.002459 -0.000070 0.001065 0.001703 28O 1dx2y2 -0.002372 -0.000451 -0.001660 -0.000036 0.000364 -0.000941 28O 1dxy 0.001453 -0.000247 -0.001679 -0.000093 -0.000303 -0.003221 28O 2dz2 0.215945 -0.098684 -0.076772 -0.066024 -0.039473 -0.097885 28O 2dxz 0.105688 -0.073506 -0.036437 -0.010115 0.041050 0.011835 28O 2dyz -0.107496 0.024012 0.001970 0.024502 0.000177 0.065523 28O 2dx2y2 0.186135 -0.113225 0.001664 0.056012 -0.028561 0.041983 28O 2dxy -0.010569 -0.059678 0.030512 -0.030808 0.005597 0.057386 28O 1f0 0.000579 0.000833 -0.000952 0.000063 -0.000943 -0.002417 28O 1f+1 0.000096 0.003023 -0.002720 -0.000540 -0.003752 -0.003601 28O 1f-1 -0.000468 -0.000501 -0.001925 0.000278 -0.000653 -0.000423 28O 1f+2 0.001189 -0.003728 0.001942 -0.001219 0.004310 0.003537 28O 1f-2 0.000960 -0.001671 -0.002080 -0.000677 -0.002351 -0.002112 28O 1f+3 -0.001620 -0.000243 0.000743 -0.003180 0.000187 0.001340 28O 1f-3 0.000279 0.000167 -0.002021 0.000685 0.000290 -0.004479 29O 1s 0.003168 -0.005977 0.000082 0.000129 -0.008721 0.007800 29O 2s 0.008031 -0.015862 0.000523 0.000255 -0.024615 0.021188 29O 3s -0.014135 0.041858 -0.008873 0.002055 0.097828 -0.065568 29O 4s -0.149297 0.250981 0.033442 -0.009333 0.187791 -0.267422 29O 5s 0.553867 -1.203381 -0.020503 -0.052340 -1.477336 1.425583 29O 1pz 0.012404 -0.012363 -0.005897 -0.005432 -0.046598 -0.044492 29O 1px -0.033063 0.018098 -0.012350 -0.012356 0.013035 -0.034866 29O 1py -0.028296 0.024036 -0.002155 -0.011159 -0.001372 -0.003909 29O 2pz -0.034917 0.075704 0.014866 0.037113 0.239059 0.195258 29O 2px 0.034625 -0.060291 0.012598 0.013681 -0.044080 0.181634 29O 2py -0.032960 0.039752 -0.017166 -0.008509 0.085944 -0.087482 29O 3pz 0.032433 -0.002306 0.181620 0.048640 0.126832 0.237502 29O 3px -0.270360 0.189078 0.055558 -0.080433 0.324801 -0.184773 29O 3py 0.073278 0.350809 0.040990 0.126171 0.349288 -0.392230 29O 1dz2 -0.001300 -0.000113 0.001043 -0.000506 0.000746 0.000640 29O 1dxz -0.001011 0.000403 -0.002440 -0.000310 -0.000147 -0.000868 29O 1dyz 0.000940 0.000768 -0.000754 0.001284 0.001436 0.001242 29O 1dx2y2 0.002004 -0.000850 -0.000576 0.000718 -0.000891 0.000851 29O 1dxy -0.001445 -0.000485 -0.000593 -0.000968 0.000093 0.001236 29O 2dz2 0.041209 -0.205073 0.022388 -0.052734 -0.343467 0.064679 29O 2dxz -0.019228 -0.054868 -0.050446 -0.011589 -0.008435 0.225122 29O 2dyz 0.064825 -0.100251 -0.051089 -0.031750 -0.269829 -0.210864 29O 2dx2y2 0.100920 -0.071852 -0.017005 0.044577 -0.018054 0.096876 29O 2dxy -0.131959 0.216077 -0.044906 -0.036271 0.167799 -0.373414 29O 1f0 -0.000394 0.002637 -0.000777 0.000587 0.007969 -0.003509 29O 1f+1 -0.000525 -0.000296 0.001000 -0.000344 -0.001828 0.002076 29O 1f-1 -0.002783 0.006439 -0.000134 0.001773 0.017208 0.003614 29O 1f+2 0.000415 -0.001996 -0.000463 -0.000860 -0.007749 -0.002497 29O 1f-2 0.000852 -0.000650 -0.001645 -0.001258 -0.005943 -0.015405 29O 1f+3 0.000591 -0.002094 0.001230 0.000491 -0.001945 0.007608 29O 1f-3 0.001184 -0.001135 0.000788 0.001443 0.001093 0.009221 30O 1s 0.000872 -0.000475 0.001822 0.002491 0.001627 0.002309 30O 2s 0.000474 -0.002980 0.005231 0.005275 0.002419 0.004173 30O 3s 0.055743 0.048007 -0.032428 0.028000 0.034405 0.044794 30O 4s -0.333729 -0.182642 0.060894 -0.328100 -0.269205 -0.347058 30O 5s -1.070686 -0.497940 0.748183 -0.529646 -0.179331 -0.834291 30O 1pz 0.005327 0.010895 -0.010588 -0.006364 0.005967 0.000854 30O 1px -0.026064 0.016115 -0.005924 -0.032701 -0.003657 -0.007117 30O 1py 0.020552 0.005607 0.000056 0.003187 0.007319 -0.006280 30O 2pz 0.158747 0.082397 -0.090925 0.161115 0.041303 0.125472 30O 2px -0.258286 -0.115004 0.088602 -0.176522 -0.120560 -0.150124 30O 2py -0.224915 -0.067042 0.077593 -0.164657 -0.068632 -0.167844 30O 3pz 0.105603 0.133503 -0.237769 -0.156597 -0.019883 0.365183 30O 3px -0.313765 -0.306583 0.184402 -0.203161 -0.205268 -0.389264 30O 3py -0.069909 -0.213049 0.079268 0.208061 0.022745 -0.428195 30O 1dz2 -0.002511 0.000560 -0.001711 0.000220 -0.002913 -0.000621 30O 1dxz -0.000430 0.000708 0.002065 -0.002195 0.001805 -0.002563 30O 1dyz 0.000214 -0.001580 0.000768 0.000537 0.001063 -0.002210 30O 1dx2y2 -0.000063 -0.000465 -0.000258 0.002299 0.000191 -0.000697 30O 1dxy 0.003846 -0.000938 0.000389 0.002199 0.000346 0.005727 30O 2dz2 -0.158159 0.043332 -0.127512 0.058615 -0.108536 -0.129819 30O 2dxz 0.005546 0.083911 -0.185102 0.049008 -0.019162 0.068847 30O 2dyz 0.137188 -0.033742 0.067688 -0.024444 0.076368 0.029165 30O 2dx2y2 -0.167849 0.015200 -0.067051 0.056669 -0.048995 -0.028277 30O 2dxy -0.100888 -0.054952 0.009233 -0.066995 -0.016108 -0.139320 30O 1f0 -0.005550 -0.003549 0.004178 -0.001740 -0.000269 -0.005692 30O 1f+1 0.000413 0.000005 -0.000104 -0.000082 0.000997 -0.001478 30O 1f-1 0.001294 -0.000945 0.000515 -0.000426 0.001033 0.000869 30O 1f+2 0.002532 0.003803 -0.003602 -0.000171 0.000365 0.001669 30O 1f-2 0.007627 0.005690 -0.002475 0.003218 0.003983 0.004495 30O 1f+3 0.000063 -0.000679 0.000780 0.000159 -0.001809 -0.001071 30O 1f-3 0.006351 0.003550 -0.003107 0.001766 0.000920 0.005241 31O 1s 0.000873 0.000504 0.001668 0.002415 -0.001828 -0.002143 31O 2s 0.000447 0.003040 0.004705 0.005316 -0.002998 -0.003495 31O 3s 0.056526 -0.048868 -0.027904 0.022127 -0.032203 -0.051440 31O 4s -0.337259 0.186200 0.049696 -0.295926 0.270013 0.367376 31O 5s -1.081160 0.552685 0.689203 -0.471579 0.178240 0.882383 31O 1pz -0.005383 0.010578 0.009640 0.007005 0.004574 0.002648 31O 1px 0.025281 0.016544 0.004026 0.033503 -0.003931 -0.007168 31O 1py -0.020747 0.006844 -0.000097 -0.002297 0.008477 -0.006618 31O 2pz -0.160595 0.089006 0.082613 -0.151521 0.041433 0.134947 31O 2px 0.260455 -0.119325 -0.080107 0.160916 -0.117669 -0.162836 31O 2py 0.226783 -0.071150 -0.069928 0.153142 -0.067513 -0.178392 31O 3pz -0.104325 0.150182 0.217460 0.178520 -0.024894 0.377307 31O 3px 0.322077 -0.323838 -0.157244 0.160801 -0.213501 -0.416887 31O 3py 0.070387 -0.233987 -0.050271 -0.233641 0.009899 -0.439377 31O 1dz2 -0.002518 -0.000724 -0.001603 0.000345 0.002891 0.000563 31O 1dxz -0.000400 -0.000546 0.002022 -0.002229 -0.001773 0.002715 31O 1dyz 0.000198 0.001677 0.000572 0.000607 -0.000969 0.002456 31O 1dx2y2 -0.000063 0.000453 -0.000371 0.002313 -0.000138 0.000715 31O 1dxy 0.003830 0.000924 0.000434 0.002088 -0.000437 -0.005926 31O 2dz2 -0.158585 -0.057630 -0.123487 0.064471 0.104285 0.137116 31O 2dxz 0.003713 -0.095789 -0.175850 0.043599 0.023480 -0.071184 31O 2dyz 0.137970 0.041723 0.063788 -0.026607 -0.073320 -0.035164 31O 2dx2y2 -0.169326 -0.022534 -0.067038 0.059470 0.046653 0.030231 31O 2dxy -0.101861 0.056412 0.003400 -0.060127 0.018152 0.145895 31O 1f0 0.005577 -0.003714 -0.003738 0.001381 -0.000027 -0.006016 31O 1f+1 -0.000382 -0.000072 0.000111 0.000090 0.000959 -0.001506 31O 1f-1 -0.001258 -0.001064 -0.000456 0.000437 0.000965 0.000946 31O 1f+2 -0.002579 0.004048 0.003294 0.000441 0.000264 0.001975 31O 1f-2 -0.007762 0.005790 0.001998 -0.002567 0.003852 0.005102 31O 1f+3 -0.000081 -0.000662 -0.000768 -0.000277 -0.001716 -0.001078 31O 1f-3 -0.006379 0.003719 0.002680 -0.001431 0.000839 0.005559 32O 1s 0.003013 0.005961 0.000026 0.000808 0.008680 -0.007763 32O 2s 0.007587 0.015835 0.000412 0.002146 0.024522 -0.020730 32O 3s -0.012100 -0.042252 -0.009480 -0.004899 -0.098071 0.055757 32O 4s -0.146812 -0.248205 0.040088 -0.027385 -0.184301 0.307831 32O 5s 0.525693 1.199443 -0.035542 0.070805 1.473176 -1.448344 32O 1pz -0.012717 -0.013108 0.006281 0.001912 -0.046299 -0.048172 32O 1px 0.032221 0.018058 0.011658 0.013144 0.012614 -0.036867 32O 1py 0.028042 0.023540 0.000258 0.011919 -0.003337 -0.008937 32O 2pz 0.033742 0.076679 -0.014884 -0.019716 0.234883 0.218603 32O 2px -0.032177 -0.060287 -0.011953 -0.016966 -0.046404 0.183907 32O 2py 0.030927 0.041473 0.017428 0.013389 0.091161 -0.072780 32O 3pz -0.029550 -0.004790 -0.176643 -0.040820 0.134131 0.281696 32O 3px 0.266637 0.187508 -0.051939 0.101223 0.318923 -0.209535 32O 3py -0.079500 0.350071 -0.051464 -0.092231 0.360220 -0.378794 32O 1dz2 -0.001305 0.000133 0.000980 -0.000512 -0.000733 -0.000670 32O 1dxz -0.000950 -0.000393 -0.002393 -0.000283 0.000341 0.000942 32O 1dyz 0.000923 -0.000788 -0.000711 0.001125 -0.001383 -0.001495 32O 1dx2y2 0.001985 0.000854 -0.000605 0.000715 0.000949 -0.000824 32O 1dxy -0.001426 0.000474 -0.000649 -0.000929 0.000023 -0.001104 32O 2dz2 0.034493 0.204841 0.021980 -0.025836 0.332531 -0.047740 32O 2dxz -0.020790 0.053203 -0.051271 -0.008551 0.012981 -0.230625 32O 2dyz 0.066042 0.112183 -0.052128 -0.013125 0.281887 0.231331 32O 2dx2y2 0.099707 0.069556 -0.019908 0.047640 0.012195 -0.124744 32O 2dxy -0.124007 -0.211523 -0.038371 -0.049367 -0.167154 0.363040 32O 1f0 0.000086 0.002329 0.000856 0.000035 0.007035 -0.002784 32O 1f+1 0.000583 -0.000402 -0.001121 0.000174 -0.001893 0.002282 32O 1f-1 0.002595 0.006657 0.000253 -0.000479 0.017265 0.005018 32O 1f+2 -0.000457 -0.002335 0.000311 0.000273 -0.008262 -0.003090 32O 1f-2 -0.000993 -0.000793 0.001640 0.000874 -0.006037 -0.015909 32O 1f+3 -0.000448 -0.002067 -0.001174 -0.000597 -0.002176 0.006750 32O 1f-3 -0.001065 -0.001054 -0.000785 -0.001367 0.001212 0.009690 33O 1s 0.000209 -0.002068 -0.003663 0.001638 -0.002416 -0.000471 33O 2s 0.000324 -0.005419 -0.011098 0.003744 -0.003559 0.000092 33O 3s -0.002552 0.019619 0.046746 -0.001101 -0.054547 -0.037698 33O 4s 0.051784 0.006545 0.013373 -0.092422 0.385527 0.253593 33O 5s -0.055873 -0.427130 0.170951 0.260576 0.362512 0.363345 33O 1pz 0.007322 -0.000579 -0.017786 -0.014140 0.001249 0.012604 33O 1px -0.009284 -0.002310 -0.040897 -0.003005 0.036408 0.046316 33O 1py -0.011431 0.005644 -0.047301 0.012988 0.005635 0.014157 33O 2pz 0.036842 -0.076094 0.065001 -0.003793 0.119456 0.119522 33O 2px -0.082391 0.037849 -0.081899 -0.007015 -0.110837 -0.089931 33O 2py 0.042784 -0.006409 -0.005374 -0.012727 0.026452 0.054296 33O 3pz -0.448501 -0.137584 -0.486509 0.039557 0.360836 0.213957 33O 3px 0.160755 0.074287 0.146740 -0.055634 -0.553969 -0.253946 33O 3py -0.124844 -0.097302 -0.274145 0.120958 0.035981 0.131420 33O 1dz2 0.005269 0.001726 0.001361 0.001009 -0.002216 0.000272 33O 1dxz -0.001936 -0.001041 0.001598 -0.000570 0.001257 0.000752 33O 1dyz 0.000414 -0.001858 0.002608 -0.000242 -0.001236 -0.001744 33O 1dx2y2 -0.002336 0.000344 -0.001689 -0.000040 -0.000277 0.000975 33O 1dxy 0.001465 0.000150 -0.001774 0.000001 0.000432 0.003407 33O 2dz2 0.218000 0.096904 -0.085298 -0.056333 0.046726 0.099273 33O 2dxz 0.106413 0.073965 -0.039698 -0.009095 -0.037187 -0.013474 33O 2dyz -0.108132 -0.025306 0.005654 0.022405 -0.003322 -0.066438 33O 2dx2y2 0.187824 0.110230 -0.003390 0.060020 0.028032 -0.047514 33O 2dxy -0.012456 0.060271 0.027774 -0.027881 -0.005994 -0.062145 33O 1f0 -0.000653 0.001026 0.000974 -0.000103 -0.000943 -0.002219 33O 1f+1 -0.000234 0.003141 0.002473 0.000470 -0.003869 -0.003559 33O 1f-1 0.000434 -0.000419 0.001917 -0.000361 -0.000767 -0.000218 33O 1f+2 -0.001048 -0.003885 -0.001697 0.001304 0.004376 0.003128 33O 1f-2 -0.000960 -0.001520 0.002255 0.000315 -0.002352 -0.002303 33O 1f+3 0.001705 -0.000459 -0.000803 0.003181 0.000051 0.001158 33O 1f-3 -0.000311 0.000345 0.002150 -0.000806 0.000306 -0.004613 34O 1s -0.001651 0.002515 0.000709 -0.002357 0.002692 -0.001918 34O 2s -0.005662 0.007229 0.002940 -0.006670 0.006234 -0.003876 34O 3s 0.035057 -0.038388 -0.027671 0.019322 0.001738 -0.020185 34O 4s -0.043817 0.064170 0.113127 0.081448 -0.145717 0.167198 34O 5s 0.283939 0.362416 -0.124908 -0.045013 0.028421 0.441865 34O 1pz -0.016135 0.001418 0.008211 -0.034156 0.034279 0.007300 34O 1px 0.026802 -0.015927 0.003090 0.019545 -0.018362 -0.031299 34O 1py 0.021291 0.006864 -0.003031 0.026023 -0.009644 -0.017774 34O 2pz 0.030172 -0.004690 -0.005811 -0.033559 0.005727 -0.007970 34O 2px 0.105309 0.085893 0.013721 0.095419 -0.070850 0.047128 34O 2py -0.015749 -0.034896 -0.005634 -0.019255 -0.003317 -0.039570 34O 3pz -0.389369 0.084506 -0.038944 -0.076126 0.043119 -0.019160 34O 3px -0.588782 0.275476 0.069338 -0.304290 -0.044802 0.718015 34O 3py 0.445524 -0.164419 -0.159052 0.272469 -0.212597 -0.152800 34O 1dz2 -0.000510 -0.000090 -0.000725 -0.000702 -0.001116 0.001046 34O 1dxz 0.000096 0.000693 0.001332 0.004274 0.000516 0.000350 34O 1dyz 0.000227 -0.001666 -0.001159 -0.002061 -0.000544 0.000804 34O 1dx2y2 -0.001950 -0.000893 -0.000705 -0.002071 0.002344 0.000338 34O 1dxy -0.003232 -0.000406 -0.000731 -0.002105 0.001697 0.004450 34O 2dz2 -0.079089 0.105581 0.150273 0.141121 0.042723 0.087859 34O 2dxz -0.135350 0.056018 0.039996 0.095089 0.067428 0.052227 34O 2dyz 0.037392 0.021192 -0.054270 -0.071855 0.021272 -0.033635 34O 2dx2y2 -0.055495 0.044288 0.037765 0.115470 -0.007661 0.116503 34O 2dxy -0.022891 -0.052432 -0.078158 0.021558 0.000864 0.022980 34O 1f0 -0.002902 -0.001410 -0.002362 -0.001501 -0.000238 0.001817 34O 1f+1 0.001768 -0.004352 -0.000939 -0.000797 0.000017 -0.001917 34O 1f-1 -0.001838 0.002133 0.002581 0.001709 -0.000446 0.001403 34O 1f+2 -0.000100 0.001191 0.003598 -0.000033 -0.001171 0.000991 34O 1f-2 -0.003500 0.001361 -0.000319 -0.001045 0.002755 0.000735 34O 1f+3 0.000800 -0.005087 -0.002034 0.001053 0.000311 -0.001987 34O 1f-3 -0.003151 0.002812 0.000108 -0.001683 0.002256 0.000690 35O 1s 0.002123 -0.000004 0.001160 0.000243 -0.001463 -0.002339 35O 2s 0.005314 -0.000748 0.001873 0.001096 -0.001982 -0.003764 35O 3s 0.001347 0.019604 0.045753 -0.007613 -0.048834 -0.049274 35O 4s -0.125016 -0.084376 -0.348021 0.034192 0.322636 0.376833 35O 5s -0.604317 -0.341993 -1.220748 -0.343428 0.750773 0.627696 35O 1pz 0.015871 -0.004535 0.036275 0.000715 0.006663 0.034493 35O 1px -0.012731 0.016285 -0.027834 0.004699 0.011230 -0.004630 35O 1py 0.008780 0.002115 0.013898 -0.008500 0.021916 -0.004656 35O 2pz -0.033007 -0.004427 -0.065939 -0.017768 0.064208 0.036555 35O 2px -0.149930 -0.085431 -0.363861 -0.018833 0.188163 0.176376 35O 2py -0.041396 -0.034581 -0.169066 -0.046825 0.121173 0.095263 35O 3pz 0.183929 0.129329 0.215906 0.085687 0.221362 -0.134921 35O 3px -0.111919 -0.153511 -0.232342 -0.083157 0.510641 0.506372 35O 3py -0.220469 0.059399 0.039102 0.041774 0.255720 0.279108 35O 1dz2 -0.000227 0.001288 -0.003314 0.000243 0.001940 -0.000594 35O 1dxz 0.002007 0.000077 -0.001156 0.000974 -0.003746 -0.001124 35O 1dyz 0.000073 0.001065 -0.002658 0.001379 -0.000864 -0.002351 35O 1dx2y2 0.001383 -0.000394 0.002952 -0.001914 -0.000881 0.002607 35O 1dxy 0.001021 -0.000825 0.000567 0.002479 -0.003780 -0.002937 35O 2dz2 0.054300 -0.019519 0.120929 -0.156306 -0.026953 -0.057602 35O 2dxz 0.084643 0.052339 0.004330 -0.039188 0.150994 0.055574 35O 2dyz 0.009714 0.003982 -0.004546 0.119658 -0.136862 -0.039079 35O 2dx2y2 0.060550 -0.004090 -0.042420 -0.168857 0.111533 0.031112 35O 2dxy -0.099754 -0.012916 -0.061892 -0.023286 0.085124 0.028357 35O 1f0 0.000616 0.002255 -0.001992 0.001887 -0.002253 0.000507 35O 1f+1 0.000794 0.001110 0.004654 0.000785 -0.006474 -0.002180 35O 1f-1 -0.001175 0.001850 0.002092 -0.001143 -0.000005 -0.004336 35O 1f+2 -0.001460 -0.000792 -0.000261 0.001019 0.001123 0.001527 35O 1f-2 -0.000022 -0.001053 -0.000807 0.000641 -0.000227 -0.000431 35O 1f+3 0.004836 0.004157 0.001119 0.003689 -0.003275 0.000303 35O 1f-3 0.001858 0.000911 0.008232 -0.001572 -0.005161 -0.005205 336 337 338 339 340 341 1.60015 1.60274 1.61013 1.61044 1.63597 1.63981 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s 0.000338 -0.000006 -0.000180 -0.000530 -0.000184 -0.000821 0Rh 2s -0.001335 0.000435 -0.000283 0.002298 0.000413 0.002469 0Rh 3s 0.001166 0.000231 -0.001229 -0.001705 -0.000826 -0.003301 0Rh 4s 0.006454 -0.002150 0.001676 -0.011319 -0.001915 -0.011630 0Rh 5s -0.007036 0.004834 -0.010851 0.016275 -0.000693 0.004041 0Rh 6s -0.009068 -0.005985 0.038916 -0.006614 0.015819 0.061846 0Rh 7s 0.046177 0.178843 -0.343425 0.139138 -0.140903 -0.624857 0Rh 8s -0.053943 0.271598 -0.219515 -0.028425 0.005272 0.108296 0Rh 1pz 0.002226 0.001809 -0.001025 -0.003242 -0.000153 0.001804 0Rh 1px -0.000848 -0.005323 0.002354 0.003753 0.000730 0.001835 0Rh 1py 0.001976 -0.006686 0.000430 0.001618 -0.000667 -0.002280 0Rh 2pz -0.007212 -0.006068 0.003831 0.011004 0.000249 -0.005344 0Rh 2px 0.003172 0.017918 -0.008030 -0.012389 -0.002795 -0.007312 0Rh 2py -0.006662 0.023268 -0.001616 -0.005406 0.002389 0.007486 0Rh 3pz -0.005771 -0.001185 -0.008190 -0.001711 0.006035 -0.015862 0Rh 3px -0.006526 0.000474 0.001956 -0.005870 0.007182 0.024044 0Rh 3py 0.000043 -0.016226 0.003856 -0.000721 -0.002787 0.004240 0Rh 4pz 0.064339 0.044765 0.011626 -0.058026 -0.028848 0.097225 0Rh 4px 0.006369 -0.109144 0.040662 0.100435 -0.013238 -0.053843 0Rh 4py 0.039302 -0.067804 -0.008007 0.032907 -0.003664 -0.061275 0Rh 5pz -0.111508 -0.097634 -0.038219 0.089270 0.082965 -0.192222 0Rh 5px -0.016364 0.188010 -0.071734 -0.192105 0.040251 0.118910 0Rh 5py -0.061381 0.056160 0.029847 -0.041857 -0.001050 0.100040 0Rh 6pz 0.495857 0.720180 0.098145 -0.169907 -1.149938 0.850480 0Rh 6px 0.170731 -0.947065 0.495788 0.791734 -0.449648 -0.391617 0Rh 6py 0.003467 1.012016 -0.334862 -0.107264 0.354479 0.031753 0Rh 1dz2 0.003449 -0.003006 -0.000100 0.005571 -0.016015 -0.003149 0Rh 1dxz -0.004139 0.000862 -0.003825 0.000652 -0.009057 -0.003044 0Rh 1dyz -0.008729 -0.005344 -0.007577 -0.003607 0.011466 -0.024290 0Rh 1dx2y2 0.003409 -0.003585 -0.001698 -0.003700 -0.014690 -0.013089 0Rh 1dxy 0.000808 0.000545 -0.005571 -0.001122 0.001556 -0.007848 0Rh 2dz2 -0.001826 0.000475 -0.000314 -0.000896 0.003728 0.000920 0Rh 2dxz 0.000735 -0.000481 0.000661 -0.000257 0.002506 -0.000489 0Rh 2dyz -0.001837 0.000400 0.000337 -0.000845 -0.001145 0.003313 0Rh 2dx2y2 -0.001334 0.000504 0.000000 -0.000464 0.003267 0.001735 0Rh 2dxy -0.000779 0.000529 0.000452 -0.000088 0.000390 0.001517 0Rh 3dz2 -0.000200 0.004995 0.001587 -0.009267 0.021956 0.003413 0Rh 3dxz 0.006523 0.000104 0.006130 -0.000540 0.010685 0.009245 0Rh 3dyz 0.028490 0.010755 0.016303 0.012137 -0.022297 0.042972 0Rh 3dx2y2 -0.002283 0.006223 0.003959 0.010759 0.020816 0.023506 0Rh 3dxy 0.001505 -0.003634 0.011110 0.003080 -0.005371 0.011940 0Rh 4dz2 -0.028952 0.009809 -0.004307 -0.016802 0.062588 0.016201 0Rh 4dxz 0.014336 -0.008043 0.013089 -0.002314 0.042451 -0.001971 0Rh 4dyz -0.018523 0.011165 0.012754 -0.008119 -0.023973 0.068209 0Rh 4dx2y2 -0.020557 0.009871 0.002295 -0.003969 0.055203 0.033556 0Rh 4dxy -0.012056 0.007126 0.012608 -0.000862 0.003946 0.027911 0Rh 5dz2 0.104838 -0.057823 0.015431 0.072477 -0.205084 -0.071998 0Rh 5dxz -0.069757 0.021825 -0.059914 0.012814 -0.173738 -0.020703 0Rh 5dyz 0.047630 -0.055141 -0.088003 0.013106 0.087254 -0.299632 0Rh 5dx2y2 0.069213 -0.008788 -0.027938 -0.017031 -0.194118 -0.120044 0Rh 5dxy 0.043480 -0.023000 -0.079509 -0.011806 -0.007014 -0.114546 0Rh 1f0 -0.023279 -0.003266 -0.007366 0.002378 0.083224 0.016449 0Rh 1f+1 0.032444 0.000564 0.027475 0.008911 0.042891 -0.005637 0Rh 1f-1 0.000485 -0.020944 -0.008421 -0.003941 -0.017111 0.008775 0Rh 1f+2 -0.030798 0.029349 -0.023420 -0.010480 -0.024767 -0.045632 0Rh 1f-2 0.038581 0.014546 0.036371 0.030572 -0.013915 -0.040152 0Rh 1f+3 0.010990 0.017829 -0.010114 -0.017763 0.043961 -0.006255 0Rh 1f-3 -0.013274 -0.054690 -0.001920 -0.014799 0.000965 -0.017700 1Rh 1s 0.000232 -0.000004 0.000445 -0.000251 -0.000013 -0.000845 1Rh 2s -0.000899 -0.000394 -0.001210 0.001765 0.000117 0.002572 1Rh 3s 0.000812 -0.000268 0.001872 -0.000393 -0.000002 -0.003385 1Rh 4s 0.004369 0.001953 0.005787 -0.008889 -0.000556 -0.012120 1Rh 5s -0.005060 -0.004651 -0.002873 0.018406 0.000781 0.004508 1Rh 6s -0.004000 0.006461 -0.020471 -0.030948 0.000946 0.063125 1Rh 7s 0.051974 -0.184450 0.129430 0.310850 -0.024345 -0.632291 1Rh 8s -0.015894 -0.268089 0.198368 0.109554 0.019686 0.109570 1Rh 1pz -0.001950 0.001828 -0.002959 0.001571 -0.000132 -0.001972 1Rh 1px 0.001891 -0.005383 0.004506 -0.001676 0.000617 -0.001854 1Rh 1py -0.002087 -0.006607 0.001481 -0.000953 -0.000447 0.002225 1Rh 2pz 0.006218 -0.006126 0.010281 -0.005084 0.000064 0.005914 1Rh 2px -0.006673 0.018132 -0.015021 0.005405 -0.002075 0.007385 1Rh 2py 0.007052 0.023005 -0.005071 0.003075 0.001660 -0.007293 1Rh 3pz 0.007186 -0.001304 -0.006666 -0.004577 0.008484 0.015756 1Rh 3px 0.006269 0.000167 -0.003816 0.005339 -0.000039 -0.024198 1Rh 3py -0.000447 -0.016282 0.002093 0.002912 -0.003156 -0.004413 1Rh 4pz -0.064427 0.045560 -0.032953 0.049397 -0.037692 -0.100025 1Rh 4px 0.015030 -0.109191 0.107374 -0.055260 0.011755 0.054064 1Rh 4py -0.039477 -0.066019 0.018845 -0.029979 0.002355 0.060814 1Rh 5pz 0.115554 -0.099341 0.037056 -0.091016 0.100823 0.195651 1Rh 5px -0.016477 0.187481 -0.199748 0.106272 -0.010613 -0.119527 1Rh 5py 0.058378 0.053366 -0.011322 0.051801 -0.011111 -0.099816 1Rh 6pz -0.621003 0.741485 -0.077159 0.239923 -1.217292 -0.825973 1Rh 6px -0.113911 -0.934295 0.948239 -0.284375 -0.276684 0.395534 1Rh 6py 0.093011 1.006178 -0.299107 -0.164034 0.302072 -0.001722 1Rh 1dz2 0.003834 0.002662 -0.003803 0.004104 0.016563 -0.004023 1Rh 1dxz -0.003120 -0.000712 0.002648 0.002623 0.009985 -0.003836 1Rh 1dyz -0.007610 0.005428 0.007931 0.002079 -0.011110 -0.023587 1Rh 1dx2y2 0.002953 0.003306 0.003336 -0.001462 0.013368 -0.013915 1Rh 1dxy -0.000804 -0.000557 0.004798 0.003524 -0.001526 -0.008354 1Rh 2dz2 -0.002037 -0.000385 0.000811 -0.000378 -0.003829 0.001149 1Rh 2dxz 0.000449 0.000464 -0.000353 -0.000513 -0.002657 -0.000391 1Rh 2dyz -0.001932 -0.000327 0.000296 -0.000835 0.001066 0.003216 1Rh 2dx2y2 -0.000942 -0.000440 0.000427 -0.000498 -0.003030 0.001942 1Rh 2dxy -0.000570 -0.000494 -0.000235 -0.000461 -0.000253 0.001601 1Rh 3dz2 -0.000173 -0.004577 0.005470 -0.008048 -0.022820 0.004503 1Rh 3dxz 0.005394 -0.000380 -0.004609 -0.004043 -0.012239 0.010702 1Rh 3dyz 0.026281 -0.011271 -0.019889 -0.001240 0.021798 0.041718 1Rh 3dx2y2 -0.002950 -0.005843 -0.009708 0.005671 -0.018700 0.024577 1Rh 3dxy 0.004381 0.003509 -0.010279 -0.006220 0.004712 0.012780 1Rh 4dz2 -0.032490 -0.008221 0.014228 -0.008329 -0.064276 0.019967 1Rh 4dxz 0.008996 0.007636 -0.008934 -0.008251 -0.045034 0.000000 1Rh 4dyz -0.021026 -0.010195 -0.004200 -0.013991 0.022623 0.066392 1Rh 4dx2y2 -0.014096 -0.008799 0.002994 -0.007014 -0.051281 0.036990 1Rh 4dxy -0.007529 -0.006619 -0.008137 -0.011044 -0.002197 0.029514 1Rh 5dz2 0.120286 0.051569 -0.059248 0.037976 0.209666 -0.084967 1Rh 5dxz -0.046548 -0.019633 0.038781 0.040134 0.180798 -0.028094 1Rh 5dyz 0.060750 0.052073 0.056693 0.065292 -0.082204 -0.293369 1Rh 5dx2y2 0.042253 0.005534 0.024601 0.016653 0.184480 -0.131743 1Rh 5dxy 0.024790 0.021221 0.064876 0.053017 0.002010 -0.121334 1Rh 1f0 0.025348 -0.003947 -0.004111 -0.007377 0.078210 -0.017406 1Rh 1f+1 -0.028329 0.001282 0.027039 0.010985 0.046737 0.006211 1Rh 1f-1 -0.004272 -0.020787 -0.008742 -0.001546 -0.016362 -0.008259 1Rh 1f+2 0.026715 0.029051 -0.024198 -0.005481 -0.018949 0.048618 1Rh 1f-2 -0.042127 0.015849 0.047181 0.003942 -0.011571 0.038775 1Rh 1f+3 -0.009449 0.018046 -0.018481 0.006309 0.050852 0.004873 1Rh 1f-3 0.007640 -0.054893 -0.010826 0.011227 0.005996 0.015066 2C 1s 0.010231 -0.011838 -0.001851 -0.007871 -0.001701 -0.008046 2C 2s 0.031098 -0.035442 -0.005567 -0.024148 -0.005030 -0.022449 2C 3s -0.310337 0.393310 0.030627 0.267315 0.037176 0.245959 2C 4s 0.596807 -0.942990 0.069452 -0.654000 -0.021758 -0.420545 2C 5s -2.660050 2.940634 0.842809 1.789664 0.096714 3.385963 2C 1pz -0.003546 -0.096680 -0.033520 -0.052803 -0.093815 -0.136746 2C 1px -0.501731 0.144502 0.332597 0.395427 0.182698 0.098455 2C 1py 0.201559 -0.097552 -0.094637 -0.145605 0.118275 -0.110603 2C 2pz -0.119782 0.415720 0.236401 0.164553 0.346759 0.736999 2C 2px 1.685387 -0.547977 -1.157877 -1.382179 -0.635586 -0.341062 2C 2py -0.736131 0.383150 0.362511 0.482762 -0.359468 0.571920 2C 3pz -0.535125 0.444254 0.147547 0.297133 -0.043435 0.530148 2C 3px -0.911737 0.268283 0.570286 0.740306 0.302515 0.183971 2C 3py -0.016351 0.243265 -0.018657 -0.050684 0.059423 0.341156 2C 1dz2 -0.003857 0.005859 -0.001089 0.010650 0.004399 -0.001640 2C 1dxz -0.038329 0.017961 0.024580 0.035596 0.005673 0.005244 2C 1dyz 0.017544 -0.008450 -0.006734 -0.017741 -0.017833 -0.004921 2C 1dx2y2 0.012989 -0.003692 -0.014560 -0.011857 -0.014972 0.001431 2C 1dxy 0.003874 0.002801 -0.000924 -0.000756 0.017801 0.000449 2C 2dz2 -0.065138 0.096712 0.074158 0.041569 -0.070983 0.187802 2C 2dxz -0.588111 0.211018 0.334586 0.411833 0.058948 0.274062 2C 2dyz 0.269403 0.030087 -0.159954 -0.191818 -0.102638 0.171495 2C 2dx2y2 0.277286 -0.178831 -0.215647 -0.260999 -0.258133 -0.207577 2C 2dxy 0.133700 -0.006042 -0.072510 -0.076679 0.182459 0.030187 2C 1f0 0.015639 -0.007998 -0.013894 -0.010976 -0.025439 -0.018720 2C 1f+1 0.024298 -0.009358 -0.018821 -0.014292 0.013471 -0.019121 2C 1f-1 -0.001499 -0.014343 0.014348 0.002263 0.014861 -0.019715 2C 1f+2 -0.055772 0.047745 0.021158 0.051116 0.023017 0.045459 2C 1f-2 -0.022566 -0.017886 0.019354 0.012632 0.002819 -0.019401 2C 1f+3 -0.028228 0.021984 0.012394 0.019290 -0.014647 0.027107 2C 1f-3 0.050149 -0.020030 -0.028365 -0.041747 -0.023306 -0.016151 3C 1s -0.002861 0.013280 -0.001457 -0.014942 -0.001247 0.004381 3C 2s -0.009166 0.038778 -0.004583 -0.045848 -0.003377 0.013826 3C 3s 0.072914 -0.439331 0.037548 0.498389 0.031325 -0.179969 3C 4s -0.049127 1.008304 -0.052734 -1.166165 -0.056351 0.363501 3C 5s 1.065802 -3.826639 0.360708 3.522036 0.264869 -2.776417 3C 1pz -0.215515 0.465830 -0.021790 -0.501083 -0.136523 0.172469 3C 1px 0.165190 -0.239931 0.020793 0.243005 -0.079611 -0.034737 3C 1py -0.099088 -0.043411 -0.000337 -0.098377 -0.162114 -0.023674 3C 2pz 0.760053 -1.669860 0.078013 1.729366 0.474718 -0.671499 3C 2px -0.568701 0.790083 0.007185 -0.815964 0.293908 0.148232 3C 2py 0.257669 0.295225 -0.029771 0.310638 0.492019 0.124856 3C 3pz -0.219441 0.208401 0.004522 -0.451294 -0.212607 -0.134123 3C 3px 0.344236 -0.614812 0.029661 0.615691 0.003223 -0.206297 3C 3py -0.372184 0.782808 -0.068673 -0.867310 -0.193979 0.590663 3C 1dz2 0.001283 -0.002215 0.001328 -0.005139 0.013662 0.005205 3C 1dxz 0.010022 -0.018708 -0.000154 0.011979 -0.016840 -0.006595 3C 1dyz 0.014599 -0.022931 -0.001533 0.036807 0.010804 -0.007559 3C 1dx2y2 -0.008453 0.018802 -0.003993 -0.033440 -0.008919 0.009902 3C 1dxy -0.009972 0.015913 0.003079 -0.017145 -0.009523 0.011320 3C 2dz2 0.050260 -0.017652 -0.017579 0.096457 0.091721 -0.039599 3C 2dxz 0.115304 -0.354988 0.032951 0.275348 -0.208729 -0.117319 3C 2dyz 0.309396 -0.276015 0.035741 0.480383 0.142086 -0.118257 3C 2dx2y2 -0.165344 0.472289 -0.005090 -0.389942 -0.181680 0.190786 3C 2dxy -0.075211 0.321292 -0.054060 -0.284432 -0.074400 0.124297 3C 1f0 -0.020448 0.033333 -0.004719 -0.042070 -0.028551 0.019641 3C 1f+1 -0.022574 0.046180 -0.003542 -0.058086 0.004816 0.025849 3C 1f-1 0.014287 -0.004877 0.000492 0.035367 0.016804 -0.006802 3C 1f+2 -0.005198 -0.047333 0.002313 0.030476 0.000363 -0.019867 3C 1f-2 0.007067 -0.053887 -0.001184 0.048715 -0.006266 -0.026153 3C 1f+3 -0.004207 0.018245 0.004700 -0.015029 -0.026674 0.011595 3C 1f-3 0.024298 -0.047683 0.006854 0.041650 -0.002809 -0.020526 4C 1s 0.005396 0.009490 -0.004975 -0.000257 -0.003199 0.012168 4C 2s 0.014993 0.031239 -0.015282 0.000868 -0.008609 0.040209 4C 3s -0.053308 -0.433738 0.165172 -0.061718 0.043926 -0.614994 4C 4s 0.033302 1.235845 -0.632944 0.040756 0.008664 1.928359 4C 5s 1.146669 -1.011605 -0.627987 -1.438539 -0.473746 -0.244004 4C 1pz -0.069872 0.107969 -0.016364 0.019772 0.022374 0.045641 4C 1px 0.028651 0.026449 -0.030259 -0.021435 0.004693 0.004964 4C 1py -0.163656 -0.068092 0.087869 0.093696 0.017045 0.049631 4C 2pz 0.182307 0.164451 0.151988 0.040336 0.005426 0.652203 4C 2px -0.233647 -0.109731 -0.383087 -0.091013 0.059464 -0.017824 4C 2py 0.270041 0.205035 -0.197519 -0.247327 -0.033213 0.348239 4C 3pz -1.624777 1.395781 0.492703 0.711545 0.002311 2.098702 4C 3px -0.312509 0.374107 0.090012 0.105037 0.075223 0.499408 4C 3py -1.222432 0.883355 0.447077 0.566479 0.047950 1.441921 4C 1dz2 0.000967 -0.011945 0.012781 -0.010773 -0.011738 0.000221 4C 1dxz 0.010471 -0.014119 0.005437 -0.014516 -0.018991 -0.007656 4C 1dyz -0.003330 0.015472 0.000936 0.010027 -0.004024 0.004483 4C 1dx2y2 0.004219 -0.007232 0.002736 -0.012686 -0.011167 0.009932 4C 1dxy 0.002897 0.001821 -0.004755 0.002772 0.011473 0.006367 4C 2dz2 0.116161 -0.126530 0.100384 0.016042 -0.077421 -0.346314 4C 2dxz 0.243448 -0.361209 -0.347636 -0.241668 0.026584 -0.477504 4C 2dyz 0.005144 -0.029034 -0.022917 0.087968 0.113755 -0.192320 4C 2dx2y2 -0.211678 0.226153 0.089519 0.044117 0.108508 0.607654 4C 2dxy -0.072142 -0.038953 -0.141208 -0.082029 -0.173822 0.158885 4C 1f0 0.007721 -0.005857 -0.012635 -0.000233 0.015340 -0.013940 4C 1f+1 -0.008437 -0.004997 0.010062 0.009367 -0.001031 -0.028470 4C 1f-1 0.004207 0.003650 0.006611 -0.000656 -0.014611 0.011204 4C 1f+2 -0.005123 0.022724 0.007771 0.013653 0.000927 0.021694 4C 1f-2 -0.013618 0.008003 0.006118 0.007069 0.004910 0.007571 4C 1f+3 -0.001276 0.015064 0.011343 0.014228 0.021834 0.009552 4C 1f-3 0.009356 -0.017674 0.016350 -0.005631 -0.009205 -0.021200 5C 1s -0.006894 -0.011364 -0.000184 0.000759 -0.003476 -0.009016 5C 2s -0.021361 -0.038194 -0.000748 0.004793 -0.009399 -0.028564 5C 3s 0.201667 0.543330 0.014678 -0.187336 0.023789 0.452733 5C 4s -0.535567 -1.450480 -0.094360 0.511047 0.168415 -1.156517 5C 5s -0.251158 1.744167 -0.140108 -1.871174 -0.527839 0.164033 5C 1pz 0.100599 -0.213063 -0.023088 0.148450 0.030229 -0.024037 5C 1px 0.029943 -0.045206 0.021288 0.067583 0.000474 -0.016155 5C 1py -0.018171 -0.029613 0.006341 -0.035400 0.034033 -0.021828 5C 2pz -0.199118 0.011305 -0.060244 -0.286954 0.004003 -0.049388 5C 2px -0.266812 0.055885 0.293837 -0.137542 -0.027131 -0.201833 5C 2py 0.161854 0.508572 0.052694 -0.046679 -0.098324 0.278743 5C 3pz 0.645275 -1.178446 0.083671 1.149819 0.101094 -1.228373 5C 3px 0.409086 -0.867664 0.080603 0.650668 -0.070722 -0.947472 5C 3py -0.923066 1.738812 -0.112747 -1.674975 -0.029375 2.012769 5C 1dz2 -0.000885 0.009343 -0.000489 0.016927 -0.001949 0.000474 5C 1dxz 0.000469 0.006124 0.001378 0.008282 -0.019109 -0.002138 5C 1dyz 0.000920 0.009167 -0.001386 -0.019243 0.010449 0.017282 5C 1dx2y2 -0.006276 0.007136 -0.001864 0.013970 0.005755 0.006125 5C 1dxy -0.000439 0.001156 -0.003025 0.005518 -0.002571 0.004542 5C 2dz2 -0.007259 0.127449 -0.068934 -0.034329 -0.104079 0.187659 5C 2dxz -0.114560 0.380136 0.076414 -0.160931 0.154876 0.319021 5C 2dyz -0.098715 0.066295 0.103756 -0.163117 -0.061461 0.131996 5C 2dx2y2 0.016170 -0.402667 0.150978 0.278214 0.002792 -0.420452 5C 2dxy 0.173777 -0.336830 -0.175219 0.129237 0.135135 -0.162999 5C 1f0 0.001919 0.024667 0.010331 -0.008956 0.020685 0.007534 5C 1f+1 0.007367 0.010641 -0.002836 -0.014236 -0.003928 0.016712 5C 1f-1 -0.001433 -0.001738 0.000843 0.013712 -0.007365 -0.008151 5C 1f+2 0.005021 0.006022 -0.009395 0.010055 -0.001164 -0.002905 5C 1f-2 0.000674 -0.007760 -0.007782 0.006843 0.018235 -0.004741 5C 1f+3 0.011825 0.002355 -0.010813 -0.000618 0.003295 0.021011 5C 1f-3 0.001649 -0.035950 -0.003947 0.008946 0.014945 -0.022343 6C 1s -0.005186 0.011321 -0.000173 0.000240 0.003825 -0.008917 6C 2s -0.015705 0.038028 -0.001973 0.002588 0.010695 -0.028309 6C 3s 0.114048 -0.539649 0.104107 -0.125106 -0.043307 0.452953 6C 4s -0.241087 1.442844 -0.226322 0.359709 -0.066719 -1.164283 6C 5s -0.386658 -1.717098 1.358057 -1.268606 0.555782 0.177192 6C 1pz -0.100548 -0.207055 0.082865 -0.127485 0.028773 0.020762 6C 1px -0.032938 -0.043444 0.059683 -0.035712 -0.001959 0.014667 6C 1py 0.028202 -0.028620 -0.016985 0.027342 0.040897 0.019244 6C 2pz 0.155093 0.004091 -0.248108 0.180394 -0.031229 0.052768 6C 2px 0.277030 0.042663 0.135896 0.305326 -0.040384 0.206214 6C 2py -0.104826 0.504010 0.021313 0.061407 -0.051589 -0.273855 6C 3pz -0.751539 -1.147203 0.828072 -0.769133 0.095258 1.240008 6C 3px -0.470631 -0.845423 0.500248 -0.415066 -0.052840 0.960054 6C 3py 1.120713 1.698523 -1.197201 1.114666 -0.014068 -2.032503 6C 1dz2 -0.000634 -0.009542 -0.010742 0.012640 0.001167 0.000668 6C 1dxz 0.000265 -0.006341 -0.006514 0.005290 0.018521 -0.002560 6C 1dyz -0.000806 -0.008874 0.013856 -0.012799 -0.009627 0.017474 6C 1dx2y2 -0.004250 -0.007231 -0.006996 0.010794 -0.004048 0.005588 6C 1dxy 0.000480 -0.001076 -0.001149 0.005968 0.004063 0.003793 6C 2dz2 -0.018858 -0.127557 0.074036 0.024690 0.093915 0.182188 6C 2dxz -0.152894 -0.374022 0.047051 -0.166497 -0.169396 0.331654 6C 2dyz -0.106496 -0.060953 0.035327 -0.188487 0.085687 0.135171 6C 2dx2y2 0.064139 0.398385 -0.289630 0.091499 0.035981 -0.419310 6C 2dxy 0.210114 0.327586 0.048001 0.211657 -0.121926 -0.156803 6C 1f0 0.001420 0.024374 0.002298 0.013151 0.022096 -0.007938 6C 1f+1 -0.004496 0.010589 -0.011386 0.007636 -0.003089 -0.016280 6C 1f-1 0.000623 -0.001656 0.009768 -0.009327 -0.007020 0.008853 6C 1f+2 -0.005661 0.005986 -0.000286 -0.013663 0.000175 0.004036 6C 1f-2 -0.003807 -0.007362 -0.001935 -0.009333 0.017917 0.004463 6C 1f+3 -0.010189 0.002519 -0.008199 -0.007623 0.003259 -0.021756 6C 1f-3 -0.005709 -0.035751 0.003109 -0.008490 0.014141 0.022361 7C 1s 0.006575 -0.009373 0.004298 0.002568 0.003467 0.011662 7C 2s 0.018819 -0.030816 0.012173 0.009001 0.009651 0.038568 7C 3s -0.094071 0.425774 -0.098330 -0.135340 -0.057915 -0.593499 7C 4s 0.119729 -1.212638 0.494671 0.409189 0.074727 1.856242 7C 5s 1.048429 0.971380 1.424832 -0.576292 0.483366 -0.246786 7C 1pz 0.083718 0.106208 0.003600 -0.026754 0.014671 -0.045307 7C 1px -0.023026 0.027693 -0.035667 -0.006032 0.004964 -0.006347 7C 1py 0.136871 -0.073562 0.122409 -0.002236 0.012493 -0.046160 7C 2pz -0.225586 0.166550 0.116190 0.082361 -0.018816 -0.642293 7C 2px 0.207773 -0.124194 -0.356981 -0.183368 0.029251 0.032775 7C 2py -0.248365 0.209849 -0.316211 0.044260 -0.060227 -0.347702 7C 3pz 1.533805 1.347114 0.835951 -0.128142 0.050049 -2.057648 7C 3px 0.314480 0.361278 0.132452 -0.010734 0.054965 -0.491532 7C 3py 1.144794 0.851858 0.703302 -0.070905 0.073625 -1.425226 7C 1dz2 0.001966 0.012050 -0.002753 -0.016941 0.010743 0.000998 7C 1dxz 0.010438 0.013944 0.005395 -0.014228 0.017806 -0.007637 7C 1dyz -0.002958 -0.015352 -0.007248 0.006317 0.002511 0.003920 7C 1dx2y2 0.004318 0.007279 0.006497 -0.011293 0.012386 0.009586 7C 1dxy 0.003460 -0.001821 0.001982 0.005104 -0.010941 0.006573 7C 2dz2 0.093028 0.119934 -0.099192 -0.047847 0.058565 -0.337941 7C 2dxz 0.241351 0.355422 0.416513 0.061206 -0.033967 -0.471577 7C 2dyz -0.003446 0.027435 -0.047751 0.083025 -0.138728 -0.185521 7C 2dx2y2 -0.190132 -0.218735 -0.086913 -0.038283 -0.095339 0.607024 7C 2dxy -0.055585 0.045495 0.166313 0.029661 0.178653 0.140517 7C 1f0 -0.007220 -0.005610 -0.009818 -0.008794 0.015584 0.013682 7C 1f+1 0.010106 -0.004698 0.014544 -0.000642 -0.000568 0.028300 7C 1f-1 -0.005595 0.003687 0.004029 0.005478 -0.015728 -0.010392 7C 1f+2 0.005186 0.022465 0.014730 -0.004495 0.001562 -0.020904 7C 1f-2 0.012686 0.007528 0.009272 -0.000523 0.004282 -0.008056 7C 1f+3 0.001684 0.015385 0.018189 -0.002675 0.022609 -0.010461 7C 1f-3 -0.008502 -0.017140 0.009144 0.014692 -0.008034 0.019883 8C 1s -0.004666 -0.013092 0.010839 -0.009662 0.001051 0.004577 8C 2s -0.014498 -0.038222 0.033393 -0.029597 0.003110 0.014444 8C 3s 0.133377 0.432882 -0.355092 0.328794 -0.033145 -0.185730 8C 4s -0.197299 -0.993554 0.807790 -0.788313 0.080856 0.374738 8C 5s 1.496968 3.757373 -2.596201 2.265993 -0.226808 -2.811649 8C 1pz 0.235772 0.451968 -0.353862 0.352399 -0.144079 -0.169653 8C 1px -0.167308 -0.243374 0.188654 -0.176006 -0.069762 0.050864 8C 1py 0.089386 -0.050901 -0.064490 0.069789 -0.170322 0.029562 8C 2pz -0.840860 -1.621735 1.218244 -1.213594 0.481930 0.663158 8C 2px 0.575834 0.800512 -0.579464 0.642606 0.244680 -0.204970 8C 2py -0.210956 0.318767 0.186029 -0.240654 0.550501 -0.146798 8C 3pz 0.190750 0.194848 -0.305744 0.344921 -0.233202 0.137347 8C 3px -0.372420 -0.614587 0.450209 -0.445475 0.012168 0.225892 8C 3py 0.438583 0.755191 -0.625793 0.574297 -0.199316 -0.590316 8C 1dz2 0.001104 0.002510 0.002175 -0.004494 -0.013452 0.005656 8C 1dxz 0.009999 0.018635 -0.008547 0.009370 0.015632 -0.008265 8C 1dyz 0.015927 0.022285 -0.023555 0.028140 -0.011146 -0.008085 8C 1dx2y2 -0.009370 -0.017952 0.025299 -0.021629 0.010247 0.009448 8C 1dxy -0.010502 -0.015705 0.009900 -0.014985 0.011118 0.011129 8C 2dz2 0.052641 0.017990 -0.054684 0.084316 -0.098360 -0.037027 8C 2dxz 0.128925 0.354206 -0.211999 0.184277 0.213929 -0.136911 8C 2dyz 0.305727 0.266695 -0.357620 0.333990 -0.170536 -0.123136 8C 2dx2y2 -0.193100 -0.458369 0.261958 -0.278799 0.171215 0.182769 8C 2dxy -0.099974 -0.320705 0.233243 -0.174828 0.063962 0.122928 8C 1f0 0.022018 0.032711 -0.032184 0.027888 -0.029412 -0.019173 8C 1f+1 0.024893 0.044270 -0.041378 0.039971 0.003912 -0.026842 8C 1f-1 -0.014264 -0.004261 0.024268 -0.025711 0.018143 0.006205 8C 1f+2 -0.001037 -0.046769 0.021612 -0.019717 -0.001304 0.019462 8C 1f-2 -0.012887 -0.053122 0.031144 -0.035497 -0.007321 0.026911 8C 1f+3 0.006737 0.017389 -0.006192 0.013396 -0.026000 -0.009790 8C 1f-3 -0.025371 -0.047769 0.034192 -0.026977 -0.001979 0.022363 9C 1s 0.009766 0.011432 0.006413 -0.004152 0.001229 -0.007872 9C 2s 0.029844 0.034218 0.019664 -0.012882 0.003845 -0.021953 9C 3s -0.293631 -0.380196 -0.195354 0.162410 -0.028911 0.239322 9C 4s 0.552620 0.914286 0.374891 -0.493123 0.016619 -0.402107 9C 5s -2.457390 -2.851526 -1.783600 0.624736 -0.098983 3.327386 9C 1pz -0.003293 -0.099293 -0.068766 0.013724 -0.094448 0.144260 9C 1px 0.500057 0.134077 0.522680 -0.061009 0.188596 -0.105413 9C 1py -0.164871 -0.085373 -0.148878 0.033474 0.125728 0.095870 9C 2pz 0.138190 0.421521 0.307334 0.047545 0.323906 -0.763857 9C 2px -1.684595 -0.514075 -1.824158 0.217086 -0.660028 0.367369 9C 2py 0.610053 0.340869 0.523449 -0.077057 -0.400510 -0.519114 9C 3pz 0.470041 0.422187 0.283942 -0.092616 -0.041155 -0.508750 9C 3px 0.898796 0.247559 0.937232 -0.146464 0.321155 -0.191157 9C 3py 0.050122 0.249467 -0.019835 0.026875 0.069630 -0.348725 9C 1dz2 -0.002419 -0.005664 -0.005587 0.008224 -0.005430 -0.002171 9C 1dxz -0.037912 -0.017092 -0.042671 0.009049 -0.006572 0.005021 9C 1dyz 0.017123 0.007946 0.016526 -0.008249 0.017257 -0.005073 9C 1dx2y2 0.013272 0.003580 0.019556 0.001351 0.016338 -0.000058 9C 1dxy 0.002670 -0.003083 0.000866 0.000372 -0.017657 0.001756 9C 2dz2 -0.042834 -0.089075 -0.068927 -0.025523 0.086168 0.178310 9C 2dxz -0.563129 -0.194883 -0.527200 0.064151 -0.057099 0.269669 9C 2dyz 0.273473 -0.035815 0.254438 -0.034541 0.127630 0.166173 9C 2dx2y2 0.276181 0.175109 0.339335 -0.041205 0.264920 -0.221999 9C 2dxy 0.120854 0.000687 0.102863 -0.005364 -0.175362 0.043577 9C 1f0 -0.016107 -0.007918 -0.019178 -0.001829 -0.025937 0.020978 9C 1f+1 -0.022948 -0.008761 -0.023994 -0.002927 0.012962 0.018614 9C 1f-1 0.003320 -0.013445 0.012835 0.006824 0.016731 0.017886 9C 1f+2 0.052007 0.046407 0.048620 -0.021411 0.022155 -0.045490 9C 1f-2 0.024218 -0.017568 0.024372 0.002887 0.004643 0.018429 9C 1f+3 0.026343 0.020732 0.022239 -0.004680 -0.015090 -0.025378 9C 1f-3 -0.048980 -0.018054 -0.049019 0.010792 -0.024719 0.015422 10H 1s 0.119940 -0.071399 -0.084487 -0.111471 -0.060373 -0.069814 10H 2s -1.569960 0.829277 0.990169 1.304359 0.625596 0.803019 10H 3s 1.185007 -0.648893 -0.715284 -1.007933 -0.420070 -0.565224 10H 1pz 0.043507 0.015079 -0.004501 -0.025423 -0.025908 0.054093 10H 1px 0.310693 -0.141794 -0.187474 -0.249697 -0.116267 -0.121360 10H 1py 0.004869 -0.001497 -0.021009 -0.007774 -0.001200 0.010859 11H 1s -0.097290 0.009401 0.063332 0.077696 -0.000297 -0.003670 11H 2s 1.147872 -0.124878 -0.729940 -0.796412 0.059557 -0.032971 11H 3s -0.687018 -0.085806 0.462585 0.532131 0.104540 -0.236090 11H 1pz -0.028298 0.041821 0.007539 0.039786 0.023430 0.042986 11H 1px 0.156727 -0.010326 -0.117719 -0.097886 -0.008226 -0.011443 11H 1py -0.178414 0.050876 0.072119 0.164996 0.050077 0.021088 12H 1s 0.000745 -0.014044 0.013937 0.005705 0.074217 -0.029321 12H 2s -0.034967 0.141134 -0.164968 -0.054779 -0.689003 0.222647 12H 3s 0.123923 -0.279101 0.104459 -0.068590 0.352936 -0.325366 12H 1pz 0.041212 -0.015986 0.038539 -0.038344 0.024715 0.027981 12H 1px 0.104803 -0.024571 -0.066047 -0.110392 -0.081230 0.004280 12H 1py -0.053428 0.048631 0.010149 0.039361 -0.040257 0.055958 13H 1s -0.054969 0.147298 -0.004078 -0.136750 0.010584 0.068698 13H 2s 0.712908 -1.725501 0.080153 1.650577 -0.075917 -0.647321 13H 3s -0.526110 1.249178 -0.064298 -1.295702 -0.082855 0.457792 13H 1pz 0.067151 -0.174977 0.009126 0.173542 0.006686 -0.063018 13H 1px -0.127359 0.264873 -0.013262 -0.254824 0.011734 0.076589 13H 1py 0.062843 -0.045003 -0.001834 0.103143 -0.005643 -0.011568 14H 1s 0.005236 0.034953 -0.001016 -0.032319 -0.066656 0.023186 14H 2s -0.023364 -0.296598 0.010614 0.362914 0.622935 -0.211733 14H 3s -0.005397 0.342904 -0.055316 -0.460103 -0.343688 0.285583 14H 1pz 0.039691 -0.114648 -0.004763 0.124897 0.019949 -0.026657 14H 1px -0.033751 0.005877 0.003303 -0.022346 0.063157 -0.031241 14H 1py 0.024005 -0.011388 -0.007713 0.125952 0.048705 -0.016384 15H 1s 0.060849 -0.057142 0.001507 0.116354 0.062508 -0.030861 15H 2s -0.720350 0.798229 -0.048637 -1.201648 -0.612493 0.339578 15H 3s 0.446686 -0.344515 -0.007279 0.694923 0.354724 -0.050434 15H 1pz 0.122773 -0.184083 -0.003869 0.276065 0.060510 -0.054138 15H 1px -0.043929 0.038190 -0.003942 0.015195 -0.022980 0.001135 15H 1py 0.028358 0.030963 0.006501 -0.007924 0.032345 -0.005246 16H 1s 0.110341 0.054012 0.120837 0.028453 -0.084585 0.103939 16H 2s -0.672829 -0.466019 -0.752411 -0.159989 0.568786 -0.774249 16H 3s 0.199643 0.093414 0.280383 0.078996 -0.149365 0.279005 16H 1pz -0.067769 -0.033387 -0.070138 -0.011186 0.034744 -0.057278 16H 1px 0.002268 -0.061289 0.053254 0.020264 0.052107 0.010686 16H 1py -0.090090 -0.025053 -0.100369 -0.046390 0.092465 -0.070957 17H 1s -0.077517 -0.031172 -0.142293 -0.120504 0.047258 -0.260369 17H 2s 0.552173 0.084267 0.897757 0.767093 -0.386048 1.625148 17H 3s -0.160583 -0.049438 -0.237004 -0.224387 0.121365 -0.357569 17H 1pz -0.014821 -0.001904 -0.038205 -0.043798 0.050243 -0.114892 17H 1px -0.040793 -0.037687 -0.044223 -0.049626 -0.041592 -0.073994 17H 1py 0.063572 0.030709 0.129321 0.079374 -0.070615 0.162381 18H 1s -0.061614 0.033753 0.186175 -0.000271 -0.063190 -0.262989 18H 2s 0.435053 -0.104567 -1.184240 0.015473 0.471574 1.642844 18H 3s -0.134633 0.056124 0.328208 -0.016924 -0.126354 -0.364366 18H 1pz 0.013484 -0.006263 -0.058332 0.008494 0.062721 0.122363 18H 1px 0.022612 -0.037370 -0.070051 0.012824 -0.039677 0.074531 18H 1py -0.064801 0.031464 0.146510 0.028744 -0.079635 -0.160731 19H 1s 0.108119 -0.058123 -0.110490 -0.060243 0.066950 0.106164 19H 2s -0.690973 0.489736 0.668088 0.402380 -0.467522 -0.785212 19H 3s 0.192590 -0.102951 -0.261503 -0.128409 0.141226 0.285616 19H 1pz 0.062306 -0.036527 -0.057370 -0.037206 0.022709 0.057914 19H 1px -0.008859 -0.062846 0.054423 0.022546 0.045500 -0.014529 19H 1py 0.085519 -0.028505 -0.109744 -0.031761 0.083377 0.072331 20H 1s 0.060405 0.054252 -0.079681 0.084955 -0.067900 -0.029877 20H 2s -0.722840 -0.763757 0.852800 -0.856266 0.656065 0.327424 20H 3s 0.417145 0.323243 -0.471963 0.526664 -0.390357 -0.043505 20H 1pz -0.128023 -0.176532 0.183277 -0.206332 0.064743 0.052197 20H 1px 0.038213 0.039214 0.003120 -0.010021 -0.026758 -0.002273 20H 1py -0.022434 0.031849 0.000164 0.010188 0.036532 0.004876 21H 1s 0.000448 -0.032498 0.020621 -0.020437 0.064703 0.017425 21H 2s 0.026298 0.268613 -0.229573 0.230841 -0.605459 -0.159690 21H 3s -0.062938 -0.322427 0.331377 -0.277254 0.333360 0.261512 21H 1pz -0.048222 -0.112021 0.079771 -0.094204 0.018714 0.026087 21H 1px 0.028965 0.009189 -0.016245 0.023952 0.060027 0.025085 21H 1py -0.030543 -0.006240 0.075343 -0.094023 0.050075 0.011448 22H 1s -0.062745 -0.145255 0.096285 -0.098603 -0.007348 0.072606 22H 2s 0.803541 1.704568 -1.183124 1.170167 0.058405 -0.686860 22H 3s -0.596917 -1.232701 0.927405 -0.914622 0.097040 0.484051 22H 1pz -0.075553 -0.169374 0.122994 -0.120821 0.006746 0.063940 22H 1px 0.139973 0.263657 -0.185095 0.182002 0.007576 -0.083595 22H 1py -0.060141 -0.040724 0.068079 -0.076985 0.000381 0.012138 23H 1s -0.007567 0.012213 -0.018944 -0.003053 -0.076962 -0.022481 23H 2s 0.051586 -0.117873 0.212647 0.051693 0.724102 0.158964 23H 3s 0.054310 0.263274 -0.073072 -0.103186 -0.373802 -0.288722 23H 1pz -0.026952 -0.012782 0.011257 0.051534 0.025193 -0.036820 23H 1px -0.105733 -0.024206 -0.126298 0.036554 -0.084558 -0.000882 23H 1py 0.039173 0.044498 0.026096 -0.017957 -0.045293 -0.050556 24H 1s -0.094407 -0.006448 -0.098329 0.013386 -0.001037 -0.006106 24H 2s 1.098457 0.090272 1.069161 -0.079267 -0.041949 -0.010854 24H 3s -0.660582 0.104716 -0.698080 0.073452 -0.120923 -0.241727 24H 1pz 0.028363 0.040887 0.032777 -0.022713 0.019283 -0.041941 24H 1px -0.159391 -0.006225 -0.157259 -0.007333 -0.010256 0.010806 24H 1py 0.160258 0.045048 0.156770 -0.068453 0.049784 -0.015562 25H 1s 0.116429 0.068559 0.138889 -0.021796 0.061798 -0.071838 25H 2s -1.536703 -0.792405 -1.628913 0.257462 -0.631420 0.823853 25H 3s 1.160330 0.620330 1.220868 -0.233999 0.428124 -0.577554 25H 1pz -0.042693 0.017436 -0.018253 0.015703 -0.025722 -0.055808 25H 1px -0.306305 -0.134241 -0.310480 0.051811 -0.117558 0.123954 25H 1py -0.015705 -0.004060 -0.028553 -0.006862 -0.004523 -0.006758 26O 1s -0.003537 0.000129 -0.000731 -0.000017 -0.000546 -0.000707 26O 2s -0.009976 -0.000545 -0.000901 0.000310 -0.000919 -0.004125 26O 3s 0.029543 0.024796 -0.023622 -0.009305 -0.007154 0.067355 26O 4s 0.038873 -0.136626 0.131122 0.059185 0.098032 -0.313937 26O 5s 0.697609 -0.266417 0.404698 0.067584 -0.405491 -1.282757 26O 1pz -0.020733 0.036294 0.037721 0.037799 -0.004401 0.041832 26O 1px -0.011983 -0.029087 -0.018993 -0.004236 0.001565 0.003813 26O 1py -0.028612 0.007773 0.024199 0.018656 0.034991 0.025268 26O 2pz -0.078275 0.049800 0.026993 0.044611 0.025834 0.084114 26O 2px -0.046761 0.035181 -0.116192 -0.021421 0.015958 0.207317 26O 2py -0.062633 0.020312 -0.022159 0.005821 0.025711 0.123092 26O 3pz 0.187155 0.130524 -0.087940 -0.245850 -0.196138 0.132701 26O 3px -0.140593 0.513103 -0.313649 -0.257599 -0.073210 0.703944 26O 3py 0.076978 0.254383 -0.147088 -0.163293 -0.111223 0.410320 26O 1dz2 -0.000839 0.000675 0.002425 0.002164 -0.000888 -0.001454 26O 1dxz -0.004681 0.003290 0.000945 0.002202 0.001128 0.004856 26O 1dyz -0.003615 0.002093 0.001370 0.003280 0.001950 0.000820 26O 1dx2y2 0.002342 0.000024 -0.003812 -0.001937 -0.000816 -0.000051 26O 1dxy -0.003080 -0.000752 -0.000328 -0.000158 0.000734 0.002980 26O 2dz2 -0.096228 0.095271 -0.099440 0.073424 0.022996 0.000398 26O 2dxz -0.038718 0.057064 0.011594 0.071203 0.151136 -0.063344 26O 2dyz -0.006008 0.011686 -0.007215 -0.014646 0.029515 0.035718 26O 2dx2y2 0.041356 0.049502 -0.041802 0.054886 0.121077 -0.030920 26O 2dxy 0.006426 -0.025873 0.065484 -0.007424 -0.157587 -0.057607 26O 1f0 -0.002501 -0.000003 -0.000228 0.001549 0.004137 -0.001378 26O 1f+1 -0.000734 -0.000475 0.002650 0.001378 0.003090 -0.004013 26O 1f-1 -0.002013 -0.000534 0.001008 -0.000044 0.000535 -0.002213 26O 1f+2 0.000738 0.001267 -0.000111 0.000258 0.002163 0.001304 26O 1f-2 0.001088 0.000531 -0.000387 -0.000946 -0.001742 -0.000285 26O 1f+3 -0.002423 -0.000908 0.002923 0.002480 0.000112 -0.001030 26O 1f-3 -0.000404 -0.002254 0.003545 -0.000481 -0.003135 -0.005424 27O 1s 0.001553 -0.000626 0.003077 0.003389 -0.001864 0.000435 27O 2s 0.004580 -0.000011 0.006955 0.008861 -0.004336 0.001767 27O 3s -0.024785 -0.042445 0.011740 -0.011339 0.000313 -0.033258 27O 4s 0.023948 0.268935 -0.264077 -0.154907 0.141336 0.138867 27O 5s 0.168105 0.467434 0.129605 -0.200522 -0.460483 1.576199 27O 1pz 0.028321 -0.043803 -0.022776 0.017082 -0.022795 -0.012565 27O 1px 0.016796 0.012746 0.029567 0.025534 -0.000269 -0.013622 27O 1py -0.019624 0.051143 0.004543 -0.034641 -0.018443 0.020768 27O 2pz 0.030876 -0.041528 -0.009609 0.027090 0.010312 -0.013072 27O 2px -0.069373 -0.140458 0.119103 0.098071 0.036337 -0.211266 27O 2py -0.014066 0.092183 -0.022393 -0.094558 -0.035869 0.095644 27O 3pz -0.058598 -0.058496 0.053893 -0.059330 -0.203087 -0.021503 27O 3px -0.131586 -0.336735 0.003585 -0.126876 -0.166646 -0.448020 27O 3py -0.000782 -0.027822 -0.023378 0.284518 0.268132 -0.029082 27O 1dz2 0.000899 0.000523 -0.000251 -0.000202 -0.001271 0.000823 27O 1dxz 0.002646 -0.005593 -0.000124 0.002415 -0.000292 -0.000959 27O 1dyz -0.000962 0.001666 0.000225 -0.001850 -0.000067 -0.000167 27O 1dx2y2 -0.001657 0.001045 0.001521 -0.001789 0.000074 -0.001279 27O 1dxy -0.001510 0.003271 0.000025 -0.003918 -0.000547 0.001856 27O 2dz2 -0.012146 -0.077283 0.048555 -0.065620 -0.057338 -0.087103 27O 2dxz 0.025431 -0.036861 -0.016908 -0.051035 0.199676 0.031660 27O 2dyz -0.000456 0.095513 -0.080155 -0.021473 0.013934 0.034717 27O 2dx2y2 0.024181 -0.012738 -0.020417 -0.119440 0.040936 0.052260 27O 2dxy 0.000339 -0.036190 0.048878 -0.023764 0.090326 -0.032762 27O 1f0 -0.002984 0.002133 0.000046 -0.002639 0.001133 0.000168 27O 1f+1 0.002086 0.003466 -0.001699 -0.001969 0.002789 0.004382 27O 1f-1 -0.000197 -0.000025 0.000158 0.000382 -0.002570 -0.000503 27O 1f+2 0.000507 -0.001824 -0.001060 0.001130 -0.000248 -0.000612 27O 1f-2 -0.000482 -0.001030 -0.000068 0.000190 -0.001975 -0.002368 27O 1f+3 0.003242 0.003011 -0.001300 0.000324 -0.003133 0.003694 27O 1f-3 -0.002024 -0.001429 0.001219 -0.001994 0.002202 -0.002756 28O 1s -0.004676 0.004736 0.003435 0.003016 -0.000449 0.000854 28O 2s -0.011709 0.010511 0.007478 0.007197 -0.000908 0.000701 28O 3s 0.013754 0.027075 0.018993 0.003924 -0.003093 0.047951 28O 4s 0.251457 -0.441477 -0.334685 -0.224107 0.059927 -0.276327 28O 5s -0.200862 -0.165175 -0.047926 0.057815 -0.274655 -1.925041 28O 1pz -0.027748 0.004734 0.013903 0.008275 0.020625 0.012265 28O 1px 0.012980 -0.009368 -0.036831 -0.016051 0.004369 0.003822 28O 1py -0.018828 -0.000110 0.001109 0.001644 -0.009310 0.015897 28O 2pz -0.079420 0.167014 0.111793 0.105609 0.032430 0.236541 28O 2px 0.019387 -0.150077 -0.124213 -0.085770 -0.015679 -0.197507 28O 2py -0.041052 0.021458 0.030025 0.020432 0.011348 0.073387 28O 3pz 0.254026 0.211487 -0.201435 -0.352106 -0.165336 0.546499 28O 3px -0.002493 -0.191396 -0.045682 0.049846 0.094066 -0.719920 28O 3py 0.059428 0.001600 -0.077296 -0.151401 -0.404451 0.017230 28O 1dz2 -0.000961 0.002375 -0.001343 0.000112 0.001884 0.002736 28O 1dxz 0.000756 -0.002922 -0.000762 -0.000565 -0.001166 -0.005683 28O 1dyz -0.000975 -0.000693 0.000138 0.000333 -0.000894 0.002000 28O 1dx2y2 0.001082 -0.000403 0.000928 0.000417 0.000134 0.000394 28O 1dxy 0.001892 0.000677 -0.000928 0.000311 0.001219 -0.003639 28O 2dz2 0.034468 0.053290 -0.092208 0.052515 0.147541 -0.027714 28O 2dxz 0.050975 0.110786 0.004160 0.047402 0.153845 0.106932 28O 2dyz -0.021335 0.013118 0.014376 -0.010746 -0.063267 -0.001603 28O 2dx2y2 -0.003100 0.083036 -0.053154 0.062327 0.237575 0.003039 28O 2dxy -0.051924 0.114175 0.028536 0.034700 -0.182983 0.045164 28O 1f0 -0.003049 -0.000932 0.000439 0.000681 -0.002831 -0.002420 28O 1f+1 -0.000737 -0.003673 -0.000874 -0.000754 -0.000880 -0.003221 28O 1f-1 -0.001328 0.000794 0.000041 -0.000051 -0.000604 -0.001404 28O 1f+2 0.004450 0.003801 0.000411 -0.000151 -0.000739 0.006145 28O 1f-2 0.001018 -0.000395 -0.002098 -0.002028 -0.001115 -0.000801 28O 1f+3 0.001712 0.001669 -0.000058 0.000009 -0.002854 0.001915 28O 1f-3 0.002239 -0.001615 -0.001193 -0.001488 0.001741 -0.002053 29O 1s 0.000183 0.002414 -0.000867 -0.003888 -0.000815 -0.001270 29O 2s 0.001131 0.005909 -0.002494 -0.011415 -0.002807 -0.006434 29O 3s -0.018474 -0.004160 0.010540 0.054402 0.021995 0.089068 29O 4s 0.068099 -0.164107 0.017343 0.035027 -0.046264 -0.311715 29O 5s -0.017930 0.637755 -0.188906 -0.629018 -0.045287 0.074856 29O 1pz 0.041137 0.013557 0.046036 0.025553 -0.033052 0.073696 29O 1px 0.015561 0.017657 0.015116 0.010859 -0.007338 0.023847 29O 1py 0.003059 -0.003233 -0.011666 -0.009741 0.000376 -0.037497 29O 2pz -0.192227 -0.086453 -0.259161 -0.128159 0.116176 -0.316011 29O 2px -0.060934 -0.015128 -0.100153 -0.100917 0.026801 -0.164411 29O 2py -0.001233 0.018575 0.026620 0.063235 0.012759 0.125100 29O 3pz -0.373466 -0.162467 -0.401054 -0.237460 0.410363 -0.555526 29O 3px -0.090547 -0.123847 -0.185643 0.004587 0.124914 -0.555652 29O 3py 0.026340 -0.229265 0.128227 0.175301 -0.049660 0.172927 29O 1dz2 -0.001837 -0.000036 -0.002242 -0.001418 0.003715 -0.002674 29O 1dxz 0.002007 0.003082 0.001411 0.000478 -0.003971 0.003073 29O 1dyz -0.000864 -0.000900 0.000073 0.000125 -0.001714 -0.000685 29O 1dx2y2 0.000380 -0.001054 0.001886 0.001509 -0.001735 0.000614 29O 1dxy -0.000393 0.001260 -0.001041 -0.000887 0.000397 -0.001790 29O 2dz2 0.149750 0.110119 0.165057 0.020562 -0.127508 0.131145 29O 2dxz -0.080225 -0.014519 -0.175426 -0.157950 0.046050 -0.400613 29O 2dyz 0.261701 0.108335 0.344255 0.179179 -0.200467 0.430176 29O 2dx2y2 -0.056952 -0.026498 -0.028164 0.005839 0.022090 -0.003358 29O 2dxy 0.098789 0.047085 0.137979 0.152420 -0.022146 0.392442 29O 1f0 -0.001959 -0.001257 0.000796 0.004828 0.001515 0.008312 29O 1f+1 -0.000187 0.000004 -0.001840 -0.002825 0.001215 -0.003505 29O 1f-1 -0.009988 -0.004321 -0.010263 -0.001361 0.008161 -0.005431 29O 1f+2 0.005466 0.003207 0.004894 0.000391 -0.004635 0.004162 29O 1f-2 0.008910 0.004699 0.015907 0.011758 -0.006465 0.025313 29O 1f+3 -0.002399 -0.000524 -0.005619 -0.005841 0.001397 -0.010015 29O 1f-3 -0.004215 -0.002709 -0.006836 -0.005216 0.002163 -0.011253 30O 1s 0.003530 -0.005536 -0.001651 0.003129 -0.001732 0.001093 30O 2s 0.009815 -0.011643 -0.003997 0.007336 -0.004065 0.004658 30O 3s -0.027584 -0.044821 -0.002127 0.008125 0.002881 -0.058850 30O 4s -0.097577 0.573414 0.085267 -0.245935 0.117936 0.289735 30O 5s -0.273790 0.325352 0.427339 -0.244925 -0.600309 0.890361 30O 1pz 0.005802 -0.003618 -0.014008 0.017871 0.021490 -0.034352 30O 1px -0.020771 -0.011373 0.038126 0.006808 -0.009024 -0.012921 30O 1py -0.003538 0.017712 -0.009784 -0.023495 0.011534 0.032491 30O 2pz 0.047118 -0.146133 -0.054353 0.082559 0.040551 -0.151424 30O 2px -0.025058 0.149677 0.085694 -0.061640 -0.025889 0.152617 30O 2py -0.056736 0.160544 0.053373 -0.123822 -0.055209 0.170048 30O 3pz -0.043850 -0.298378 0.081597 -0.076612 0.048723 0.081677 30O 3px -0.041602 0.427521 0.017077 -0.134852 -0.055007 0.151498 30O 3py 0.220847 0.098721 -0.088964 0.230075 0.413846 0.006227 30O 1dz2 0.000952 -0.001873 0.000593 0.000547 0.001947 -0.000646 30O 1dxz -0.001160 0.002013 0.001893 0.000186 -0.001328 -0.000293 30O 1dyz -0.000159 0.002725 0.000728 -0.002034 -0.001590 -0.001317 30O 1dx2y2 -0.000448 0.000923 -0.000739 -0.001499 0.001105 -0.000227 30O 1dxy 0.000599 -0.000506 -0.001615 0.001048 -0.000148 -0.000417 30O 2dz2 0.053343 -0.025996 0.058009 -0.085111 0.102433 0.025117 30O 2dxz 0.049698 -0.049023 -0.034718 -0.003907 0.248159 0.023110 30O 2dyz -0.033488 0.028540 -0.021091 0.022670 -0.101713 -0.050866 30O 2dx2y2 0.024420 -0.121069 -0.003746 -0.033154 0.092567 -0.018360 30O 2dxy 0.016346 0.102626 0.069157 -0.019713 0.147920 0.033734 30O 1f0 0.000188 0.000871 0.001352 -0.000699 -0.002835 0.002854 30O 1f+1 -0.000861 0.003274 0.000681 -0.003365 -0.000935 0.002821 30O 1f-1 -0.000503 0.001782 -0.000582 -0.000902 0.002426 0.001849 30O 1f+2 -0.001603 -0.001830 -0.001113 -0.000266 0.002796 0.000303 30O 1f-2 -0.002979 -0.004707 -0.001102 0.000782 0.000869 -0.005645 30O 1f+3 0.000172 0.003038 -0.000364 -0.001315 0.000108 0.002856 30O 1f-3 -0.002213 -0.001130 -0.001618 -0.002031 -0.002032 -0.002719 31O 1s 0.003961 0.005467 -0.000836 0.003383 0.001816 0.001073 31O 2s 0.010627 0.011483 -0.001886 0.008033 0.004128 0.004591 31O 3s -0.020705 0.044380 -0.003150 0.006463 -0.000127 -0.058536 31O 4s -0.156240 -0.565862 0.098096 -0.232207 -0.130557 0.288880 31O 5s -0.376597 -0.303817 -0.185830 -0.443511 0.550235 0.902062 31O 1pz -0.005728 -0.002852 0.001688 -0.022876 0.022648 0.033116 31O 1px 0.020634 -0.011854 0.032880 0.020879 -0.010240 0.012063 31O 1py 0.004618 0.017100 -0.023093 0.010231 0.012544 -0.033486 31O 2pz -0.066008 -0.142216 0.013293 -0.094313 0.040135 0.152658 31O 2px 0.046725 0.146107 0.024373 0.099878 -0.026612 -0.153785 31O 2py 0.080481 0.155737 -0.040609 0.122527 -0.053662 -0.171413 31O 3pz -0.013095 -0.299181 -0.010182 0.124187 -0.022354 -0.098441 31O 3px 0.102275 0.422233 -0.060726 0.101801 -0.004521 -0.156994 31O 3py -0.159678 0.107471 0.110707 -0.244586 0.485953 -0.005858 31O 1dz2 0.000959 0.001829 -0.000803 0.000031 -0.001795 -0.000473 31O 1dxz -0.001530 -0.001969 -0.001623 -0.001075 0.000994 -0.000303 31O 1dyz -0.000517 -0.002712 0.000668 -0.001928 0.001058 -0.001346 31O 1dx2y2 -0.000580 -0.000919 0.001434 -0.000584 -0.001526 -0.000194 31O 1dxy 0.001270 0.000484 0.000670 0.001680 0.000558 -0.000497 31O 2dz2 0.039420 0.025385 0.010560 -0.097529 -0.103389 0.026300 31O 2dxz 0.058992 0.046140 0.029571 0.017563 -0.244642 0.036028 31O 2dyz -0.031432 -0.028052 0.002231 0.031485 0.102036 -0.054044 31O 2dx2y2 0.025171 0.120528 0.021574 -0.021108 -0.088933 -0.012342 31O 2dxy -0.003029 -0.101806 -0.041909 -0.056952 -0.153199 0.040669 31O 1f0 0.000509 0.000781 0.000668 0.001201 -0.002804 -0.002681 31O 1f+1 0.001102 0.003159 -0.001738 0.002883 -0.001099 -0.002680 31O 1f-1 0.000460 0.001758 -0.001070 0.000322 0.002231 -0.002036 31O 1f+2 0.001353 -0.001810 -0.001102 -0.000501 0.002568 -0.000387 31O 1f-2 0.002263 -0.004684 -0.000389 -0.001194 0.000795 0.005675 31O 1f+3 0.000053 0.003045 -0.001203 0.000714 0.000085 -0.002857 31O 1f-3 0.001522 -0.001162 -0.002719 0.000594 -0.002216 0.002872 32O 1s 0.001054 -0.002406 0.003421 -0.002656 0.000666 -0.001210 32O 2s 0.003524 -0.005920 0.009875 -0.007780 0.001730 -0.006278 32O 3s -0.026403 0.005024 -0.043230 0.036903 -0.002907 0.088799 32O 4s 0.042114 0.159616 -0.053547 0.023494 -0.028931 -0.313525 32O 5s 0.127695 -0.632194 0.602689 -0.401672 0.082402 0.074854 32O 1pz -0.037619 0.015354 0.051799 0.010492 -0.032522 -0.075970 32O 1px -0.011183 0.018206 0.019127 0.000720 -0.005877 -0.023544 32O 1py -0.003583 -0.002481 -0.012813 -0.000149 0.006625 0.035921 32O 2pz 0.176512 -0.093546 -0.282090 -0.073139 0.110532 0.325470 32O 2px 0.041916 -0.016783 -0.142916 0.015216 0.033992 0.165705 32O 2py 0.015813 0.015655 0.053716 -0.034844 -0.004606 -0.116536 32O 3pz 0.356743 -0.171986 -0.467134 -0.087622 0.375132 0.562069 32O 3px 0.115480 -0.125149 -0.115205 -0.133642 0.201413 0.561437 32O 3py 0.015001 -0.230644 0.205462 -0.064942 -0.061718 -0.163093 32O 1dz2 -0.001835 0.000107 0.002591 0.000431 -0.003653 -0.002725 32O 1dxz 0.001946 -0.003173 -0.001375 -0.000582 0.004003 0.003085 32O 1dyz -0.000694 0.000912 -0.000097 -0.000001 0.001783 -0.000744 32O 1dx2y2 0.000569 0.001016 -0.002432 -0.000195 0.001570 0.000686 32O 1dxy -0.000287 -0.001278 0.001245 -0.000036 -0.000605 -0.001816 32O 2dz2 0.149399 -0.110040 -0.121483 -0.098805 0.080941 0.111981 32O 2dxz -0.064351 0.019291 0.242844 -0.007513 -0.077436 -0.417579 32O 2dyz 0.250878 -0.123229 -0.380246 -0.096678 0.190423 0.441012 32O 2dx2y2 -0.051975 0.031858 0.031760 0.022253 -0.007750 -0.018017 32O 2dxy 0.055616 -0.048848 -0.196824 0.037332 0.059358 0.381770 32O 1f0 0.001804 -0.001085 0.004130 -0.002922 -0.000484 -0.008638 32O 1f+1 0.000163 -0.000120 -0.003891 0.001003 0.002003 0.004512 32O 1f-1 0.009752 -0.004635 -0.008271 -0.005981 0.005885 0.004829 32O 1f+2 -0.005460 0.003444 0.003775 0.003158 -0.003824 -0.003813 32O 1f-2 -0.007784 0.005151 0.019908 0.001538 -0.007861 -0.026010 32O 1f+3 0.001340 -0.000378 -0.007318 0.000922 0.001919 0.009092 32O 1f-3 0.003448 -0.002930 -0.008815 -0.000452 0.002637 0.011564 33O 1s -0.004839 -0.004637 -0.004625 -0.000163 0.000590 0.000811 33O 2s -0.012189 -0.010268 -0.010560 0.000099 0.001314 0.000596 33O 3s 0.016554 -0.027173 -0.015248 -0.010377 0.001371 0.047807 33O 4s 0.243478 0.434672 0.394582 0.068500 -0.056943 -0.274442 33O 5s -0.226011 0.171408 -0.018892 0.084665 0.259681 -1.908092 33O 1pz 0.026261 0.003959 0.015219 0.003879 0.021083 -0.013606 33O 1px -0.017671 -0.009511 -0.039137 -0.011361 0.002847 -0.003046 33O 1py 0.017723 -0.001016 0.001329 -0.000145 -0.008734 -0.013638 33O 2pz 0.073810 0.164789 0.150993 0.001342 0.032880 -0.236045 33O 2px -0.015960 -0.150124 -0.148292 -0.023294 -0.020103 0.198500 33O 2py 0.036652 0.020300 0.035231 0.006849 0.010385 -0.073726 33O 3pz -0.267191 0.214982 -0.402617 0.126924 -0.192110 -0.524884 33O 3px 0.017029 -0.188900 0.012131 -0.072962 0.132137 0.699108 33O 3py -0.079560 0.000293 -0.167527 0.065313 -0.419817 -0.001733 33O 1dz2 -0.001122 -0.002352 0.000987 0.001014 -0.001597 0.002705 33O 1dxz 0.000821 0.002935 0.000874 0.000117 0.000860 -0.005577 33O 1dyz -0.000740 0.000736 -0.000226 0.000086 0.001134 0.001860 33O 1dx2y2 0.000972 0.000347 -0.001046 -0.000281 -0.000194 0.000455 33O 1dxy 0.001501 -0.000754 0.000383 0.000974 -0.001528 -0.003559 33O 2dz2 0.021884 -0.055279 0.033352 0.104551 -0.149207 -0.029739 33O 2dxz 0.048628 -0.112486 -0.032688 0.031408 -0.157379 0.110860 33O 2dyz -0.012835 -0.011905 -0.003146 -0.020786 0.066084 -0.000478 33O 2dx2y2 -0.003306 -0.083731 -0.001191 0.079403 -0.240480 0.009256 33O 2dxy -0.049520 -0.112468 -0.044082 0.002923 0.184562 0.033554 33O 1f0 0.003284 -0.001023 0.000862 -0.000274 -0.002924 0.002646 33O 1f+1 0.000890 -0.003688 -0.001134 -0.000153 -0.001089 0.003329 33O 1f-1 0.001316 0.000768 0.000001 0.000061 -0.000476 0.001370 33O 1f+2 -0.004650 0.003888 0.000030 0.000477 -0.000645 -0.006004 33O 1f-2 -0.000795 -0.000372 -0.002869 0.000023 -0.001302 0.000830 33O 1f+3 -0.001879 0.001687 -0.000164 -0.000018 -0.002904 -0.001702 33O 1f-3 -0.001758 -0.001532 -0.001763 0.000101 0.001585 0.001860 34O 1s 0.001835 0.000577 -0.004464 0.000315 0.001947 0.000489 34O 2s 0.005107 -0.000124 -0.010881 0.001619 0.004507 0.001884 34O 3s -0.020526 0.042891 -0.001125 -0.017384 0.000824 -0.033178 34O 4s -0.009513 -0.267506 0.294590 0.073687 -0.151211 0.134255 34O 5s 0.097978 -0.471133 0.040753 -0.207317 0.388276 1.599838 34O 1pz -0.030062 -0.042711 -0.005129 -0.028077 -0.022541 0.014802 34O 1px -0.013408 0.012627 0.039640 0.000160 0.000481 0.014335 34O 1py 0.023079 0.050569 -0.019989 0.028817 -0.019338 -0.019895 34O 2pz -0.031446 -0.040437 0.011337 -0.027267 0.008612 0.013760 34O 2px 0.055975 -0.141969 0.154117 0.013311 0.027605 0.213249 34O 2py 0.021883 0.091326 -0.079664 0.053154 -0.032008 -0.097631 34O 3pz 0.059009 -0.058824 -0.001548 0.076994 -0.192755 0.020232 34O 3px 0.031693 -0.335140 -0.101079 0.126863 -0.229945 0.448384 34O 3py 0.022001 -0.030246 0.179676 -0.231116 0.286668 0.037304 34O 1dz2 0.000730 -0.000563 0.000302 0.000082 0.001055 0.000801 34O 1dxz 0.002785 0.005507 -0.001543 0.001920 0.000429 -0.000995 34O 1dyz -0.001085 -0.001642 0.001103 -0.001496 0.000204 -0.000130 34O 1dx2y2 -0.001668 -0.001004 0.000104 -0.002407 0.000172 -0.001293 34O 1dxy -0.002104 -0.003239 0.002503 -0.002790 0.000033 0.001933 34O 2dz2 -0.018460 0.079306 0.005421 -0.079130 0.054751 -0.094949 34O 2dxz 0.021359 0.037303 0.044722 -0.025429 -0.198417 0.038924 34O 2dyz -0.001730 -0.095271 0.074668 0.037687 -0.013421 0.035474 34O 2dx2y2 0.009879 0.012442 0.094123 -0.069666 -0.044424 0.053391 34O 2dxy 0.000096 0.035834 -0.022073 -0.050590 -0.090194 -0.023213 34O 1f0 0.002817 0.002001 -0.001765 0.002073 0.001010 -0.000167 34O 1f+1 -0.001710 0.003470 -0.002576 0.000179 0.002753 -0.004638 34O 1f-1 0.000028 -0.000007 0.000371 -0.000119 -0.002518 0.000631 34O 1f+2 -0.000589 -0.001725 -0.000061 -0.001540 -0.000231 0.000562 34O 1f-2 0.000390 -0.001027 0.000096 -0.000175 -0.001962 0.002432 34O 1f+3 -0.002848 0.003070 -0.000756 -0.001258 -0.002867 -0.003609 34O 1f-3 0.001836 -0.001501 -0.000400 0.002382 0.002362 0.002619 35O 1s -0.003300 -0.000043 0.000616 0.000401 0.000666 -0.000816 35O 2s -0.009545 0.000759 0.000544 0.000700 0.001067 -0.004327 35O 3s 0.033004 -0.024583 0.025513 0.007652 0.010107 0.065700 35O 4s 0.006934 0.130789 -0.149212 -0.033075 -0.115756 -0.299836 35O 5s 0.673549 0.234988 -0.368425 -0.207214 0.377845 -1.256442 35O 1pz 0.018709 0.035837 0.053450 -0.000706 -0.003520 -0.040855 35O 1px 0.011787 -0.029578 -0.016692 -0.010418 0.002370 -0.003919 35O 1py 0.029819 0.007075 0.031043 0.002678 0.034222 -0.027215 35O 2pz 0.077492 0.047234 0.049526 -0.013592 0.026124 -0.083400 35O 2px 0.033513 0.030231 -0.106185 -0.057523 0.013944 -0.200143 35O 2py 0.056126 0.017164 -0.014591 -0.016544 0.025245 -0.120490 35O 3pz -0.165820 0.133395 -0.234802 0.112887 -0.239131 -0.120926 35O 3px 0.118187 0.502295 -0.430913 -0.007292 -0.156281 -0.672850 35O 3py -0.095777 0.253425 -0.238007 0.026960 -0.158295 -0.402737 35O 1dz2 -0.000785 -0.000679 -0.003341 -0.000090 0.000657 -0.001400 35O 1dxz -0.004825 -0.003163 -0.002129 0.000981 -0.000582 0.004734 35O 1dyz -0.003509 -0.002028 -0.003229 0.001403 -0.001786 0.000840 35O 1dx2y2 0.002042 -0.000062 0.004164 0.001277 0.000961 -0.000218 35O 1dxy -0.002841 0.000846 0.000472 0.000040 -0.000300 0.002912 35O 2dz2 -0.097719 -0.092779 0.025442 0.120346 -0.016920 -0.013147 35O 2dxz -0.046745 -0.058191 -0.057404 0.046142 -0.154581 -0.058628 35O 2dyz -0.002818 -0.011039 0.015162 -0.006660 -0.028710 0.042605 35O 2dx2y2 0.037518 -0.052009 -0.005332 0.069863 -0.122724 -0.030663 35O 2dxy 0.006596 0.024947 -0.045426 -0.049693 0.155902 -0.066019 35O 1f0 0.002436 -0.000054 0.000833 -0.001292 0.003973 0.001267 35O 1f+1 0.000798 -0.000412 0.002942 0.000746 0.003271 0.003693 35O 1f-1 0.002458 -0.000544 0.000875 0.000561 0.000723 0.002110 35O 1f+2 -0.000839 0.001259 0.000034 -0.000198 0.002295 -0.001387 35O 1f-2 -0.001024 0.000551 -0.000877 0.000447 -0.001591 0.000371 35O 1f+3 0.002220 -0.000952 0.003803 0.000169 0.000203 0.001039 35O 1f-3 0.000816 -0.002145 0.002528 0.002595 -0.003030 0.005326 342 343 344 345 346 347 1.64423 1.64767 1.65291 1.72001 1.72485 1.74300 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s -0.001661 0.000287 -0.000185 0.000147 0.000829 -0.003375 0Rh 2s 0.004079 -0.001140 0.000437 -0.000469 -0.006571 0.014235 0Rh 3s -0.007247 0.000983 -0.000817 0.000577 0.000848 -0.011097 0Rh 4s -0.018841 0.005435 -0.002056 0.002253 0.033023 -0.069182 0Rh 5s -0.005029 -0.004595 0.000007 -0.001486 -0.067112 0.076355 0Rh 6s 0.155087 -0.017156 0.011965 -0.007516 0.089501 0.123727 0Rh 7s -1.531714 0.136849 -0.084986 -0.010922 -1.168254 -0.060582 0Rh 8s 0.241931 0.015854 -0.173808 -0.114425 0.404338 0.513682 0Rh 1pz 0.000021 -0.000095 -0.001241 0.002103 0.000722 0.004152 0Rh 1px -0.000714 -0.000527 0.004725 0.001016 -0.022222 -0.004883 0Rh 1py -0.002472 -0.000586 0.000774 0.003461 -0.004528 0.002771 0Rh 2pz 0.000908 -0.000073 0.004050 -0.007066 -0.002363 -0.013655 0Rh 2px -0.000804 0.002065 -0.016322 -0.003161 0.073259 0.014613 0Rh 2py 0.008267 0.002266 -0.003082 -0.011815 0.015180 -0.009527 0Rh 3pz -0.020840 0.008526 0.002915 -0.000605 -0.003016 -0.008039 0Rh 3px 0.068603 -0.006005 0.007771 -0.005544 0.038854 0.039740 0Rh 3py 0.002025 -0.006161 0.010114 0.002465 0.002694 0.003835 0Rh 4pz 0.078559 -0.035401 -0.036992 0.043897 0.035491 0.115616 0Rh 4px -0.273558 0.010917 0.069373 0.040228 -0.603019 -0.245412 0Rh 4py -0.059937 0.011679 -0.023996 0.062574 -0.104011 0.040531 0Rh 5pz -0.149168 0.088886 0.081429 -0.070001 -0.101511 -0.195661 0Rh 5px 0.540986 -0.014372 -0.125126 -0.064673 1.029267 0.417616 0Rh 5py 0.098580 -0.037456 0.080071 -0.104408 0.168956 -0.058199 0Rh 6pz 0.352058 -1.035340 -0.857778 0.254951 -0.098879 0.551817 0Rh 6px -1.780323 -0.270247 0.677550 0.191436 -1.567290 -1.612946 0Rh 6py 0.665722 0.651727 -1.576576 0.198661 0.285880 0.028123 0Rh 1dz2 0.009416 0.016268 0.004890 0.000300 -0.008037 0.019172 0Rh 1dxz 0.011081 0.004913 0.001294 0.001599 -0.014692 0.018581 0Rh 1dyz 0.009287 -0.008156 0.003425 0.011740 -0.000955 0.005456 0Rh 1dx2y2 -0.006661 0.011336 0.002183 0.006847 0.021373 -0.032731 0Rh 1dxy 0.006594 0.006473 -0.011528 0.003758 0.010060 -0.007804 0Rh 2dz2 -0.002096 -0.003330 -0.001011 -0.001869 0.002053 -0.005921 0Rh 2dxz -0.001421 -0.000343 -0.000989 0.000522 0.000133 -0.006578 0Rh 2dyz -0.001901 0.002539 0.000571 -0.006285 -0.001175 -0.003158 0Rh 2dx2y2 0.001071 -0.002857 0.000846 -0.002186 -0.003628 0.009601 0Rh 2dxy 0.000653 -0.000856 0.002560 -0.002834 -0.001576 0.002521 0Rh 3dz2 -0.013282 -0.024402 -0.007247 0.007552 0.010822 -0.020332 0Rh 3dxz -0.020242 -0.010335 0.001291 -0.006249 0.034844 -0.016337 0Rh 3dyz -0.013685 0.008462 -0.010650 -0.000524 0.007417 0.000779 0Rh 3dx2y2 0.011262 -0.014555 -0.009017 -0.006830 -0.036170 0.037089 0Rh 3dxy -0.018380 -0.011674 0.016264 0.003372 -0.017545 0.007844 0Rh 4dz2 -0.035090 -0.057073 -0.018412 -0.030022 0.026905 -0.101754 0Rh 4dxz -0.026320 -0.006169 -0.016385 0.008059 0.011703 -0.105085 0Rh 4dyz -0.034625 0.040840 0.005673 -0.106978 -0.016141 -0.053987 0Rh 4dx2y2 0.016438 -0.048552 0.012987 -0.038744 -0.056476 0.161185 0Rh 4dxy 0.001873 -0.017585 0.047440 -0.045139 -0.026422 0.040848 0Rh 5dz2 0.113612 0.203669 0.086579 0.197780 -0.033772 0.472257 0Rh 5dxz 0.078572 -0.008145 0.088793 -0.049977 -0.049432 0.396554 0Rh 5dyz 0.146202 -0.144156 -0.020896 0.640921 0.071807 0.327732 0Rh 5dx2y2 -0.013890 0.175419 -0.092971 0.203411 0.137808 -0.644881 0Rh 5dxy 0.017448 0.079528 -0.235661 0.244226 0.077570 -0.126685 0Rh 1f0 0.041523 0.041677 -0.004183 -0.052858 0.009470 -0.013603 0Rh 1f+1 -0.029989 0.085498 0.038162 0.055062 -0.041768 0.027895 0Rh 1f-1 -0.010245 0.011802 -0.030695 -0.065018 -0.062545 0.000216 0Rh 1f+2 -0.047801 0.021437 -0.037968 -0.052766 0.069585 0.026562 0Rh 1f-2 -0.014323 -0.048896 0.009129 0.138052 0.020330 0.054965 0Rh 1f+3 -0.067910 0.007387 -0.050919 -0.015011 -0.052168 0.012047 0Rh 1f-3 -0.054773 -0.030742 0.115260 -0.090114 -0.002395 0.002264 1Rh 1s -0.001668 0.000023 0.000189 -0.000149 0.000770 0.003356 1Rh 2s 0.004116 0.000386 -0.000458 0.000575 -0.006343 -0.013665 1Rh 3s -0.007265 0.000371 0.000827 -0.000521 0.000643 0.011339 1Rh 4s -0.019018 -0.001955 0.002161 -0.002805 0.031913 0.066245 1Rh 5s -0.004808 0.005643 -0.000197 0.003104 -0.065939 -0.068391 1Rh 6s 0.155366 -0.012136 -0.011730 0.003569 0.091448 -0.140965 1Rh 7s -1.542226 0.154561 0.079783 0.055919 -1.162335 0.245921 1Rh 8s 0.218856 -0.059813 0.174884 0.103127 0.404840 -0.573976 1Rh 1pz -0.000130 0.000103 -0.001372 0.001984 -0.000654 0.005358 1Rh 1px 0.000187 -0.000607 0.004801 0.000441 0.022071 -0.007203 1Rh 1py 0.002395 -0.001207 0.000742 0.003003 0.004396 0.001474 1Rh 2pz -0.000554 -0.000542 0.004492 -0.006662 0.002127 -0.017587 1Rh 2px 0.002580 0.001734 -0.016573 -0.001300 -0.072670 0.022246 1Rh 2py -0.007963 0.004340 -0.002979 -0.010277 -0.014721 -0.005207 1Rh 3pz 0.021115 0.004229 0.002915 -0.000702 0.003176 -0.011072 1Rh 3px -0.068594 0.006834 0.007621 -0.003822 -0.040494 0.044252 1Rh 3py -0.002936 -0.005604 0.010236 0.002666 -0.003003 0.005071 1Rh 4pz -0.081623 -0.015215 -0.039665 0.042204 -0.034747 0.151447 1Rh 4px 0.262855 -0.039195 0.071483 0.021954 0.605860 -0.310973 1Rh 4py 0.061847 -0.003383 -0.025065 0.052498 0.102657 0.009644 1Rh 5pz 0.154462 0.051130 0.085816 -0.069095 0.100199 -0.256051 1Rh 5px -0.522635 0.084799 -0.128724 -0.032813 -1.034276 0.533131 1Rh 5py -0.104404 -0.012630 0.081818 -0.088643 -0.168368 -0.009597 1Rh 6pz -0.370509 -0.944694 -0.856097 0.250299 0.111290 0.721527 1Rh 6px 1.702012 -0.592560 0.686288 0.132460 1.595308 -1.763667 1Rh 6py -0.574529 0.767310 -1.583669 0.212702 -0.248881 0.008874 1Rh 1dz2 0.005255 -0.017372 -0.004948 -0.000146 -0.007512 -0.017358 1Rh 1dxz 0.008384 -0.006245 -0.001672 -0.001273 -0.014419 -0.017361 1Rh 1dyz 0.011346 0.007355 -0.003462 -0.011772 -0.001228 -0.004778 1Rh 1dx2y2 -0.009786 -0.009436 -0.002244 -0.007229 0.020469 0.030054 1Rh 1dxy 0.005891 -0.007480 0.011494 -0.004314 0.009467 0.006837 1Rh 2dz2 -0.001121 0.003577 0.001032 0.001825 0.001967 0.005683 1Rh 2dxz -0.000994 0.000537 0.001024 -0.000484 -0.000033 0.006234 1Rh 2dyz -0.002413 -0.002257 -0.000599 0.006362 -0.001051 0.002869 1Rh 2dx2y2 0.001736 0.002571 -0.000845 0.002270 -0.003311 -0.009304 1Rh 2dxy 0.000775 0.000696 -0.002556 0.002934 -0.001384 -0.002367 1Rh 3dz2 -0.007588 0.025958 0.007296 -0.007745 0.009940 0.016977 1Rh 3dxz -0.015659 0.012672 -0.000543 0.005304 0.034917 0.014818 1Rh 3dyz -0.016381 -0.007796 0.010860 0.000259 0.007524 -0.001171 1Rh 3dx2y2 0.015827 0.011262 0.009153 0.007403 -0.035385 -0.031888 1Rh 3dxy -0.017234 0.014742 -0.016198 -0.002458 -0.016958 -0.006132 1Rh 4dz2 -0.018757 0.061135 0.018695 0.029558 0.025284 0.097279 1Rh 4dxz -0.018612 0.009498 0.017190 -0.007835 0.009034 0.100634 1Rh 4dyz -0.043078 -0.036233 -0.006009 0.108178 -0.013922 0.049690 1Rh 4dx2y2 0.027889 0.043779 -0.012885 0.039919 -0.051159 -0.155804 1Rh 4dxy 0.004178 0.016503 -0.047353 0.046816 -0.023192 -0.038747 1Rh 5dz2 0.057113 -0.215690 -0.087202 -0.198439 -0.028083 -0.454692 1Rh 5dxz 0.053956 -0.000387 -0.092027 0.050285 -0.037313 -0.389830 1Rh 5dyz 0.175391 0.125612 0.021843 -0.646571 0.057002 -0.312433 1Rh 5dx2y2 -0.055399 -0.166190 0.092386 -0.205887 0.113493 0.628620 1Rh 5dxy 0.006833 -0.079518 0.235272 -0.249441 0.062549 0.126107 1Rh 1f0 -0.040897 0.049068 -0.004317 -0.053222 -0.011051 -0.016105 1Rh 1f+1 0.039210 0.079808 0.037978 0.052696 0.042897 0.030339 1Rh 1f-1 0.013667 0.009889 -0.031346 -0.069508 0.060357 0.000262 1Rh 1f+2 0.055236 0.010334 -0.037931 -0.050846 -0.072016 0.015649 1Rh 1f-2 0.007389 -0.052351 0.008739 0.136861 -0.017964 0.046795 1Rh 1f+3 0.063516 -0.003569 -0.051201 -0.016914 0.052255 0.016908 1Rh 1f-3 0.048991 -0.040788 0.115048 -0.091153 -0.001588 0.000111 2C 1s 0.000174 -0.003040 -0.005214 0.011660 0.009902 0.010816 2C 2s 0.003034 -0.009751 -0.016090 0.038992 0.037685 0.037392 2C 3s -0.077443 0.104579 0.164745 -0.455156 -0.554618 -0.440050 2C 4s 0.273313 -0.236910 -0.378092 1.186650 1.859021 1.156044 2C 5s -1.489351 0.622106 0.742665 -0.367016 -0.243774 0.018800 2C 1pz 0.024774 0.101183 0.056244 -0.028079 -0.137969 -0.060282 2C 1px -0.191574 0.098313 0.205110 0.000228 0.034778 -0.011132 2C 1py 0.019254 -0.152623 -0.028025 0.002463 -0.046297 -0.015619 2C 2pz 0.101963 -0.387356 -0.143156 0.206254 1.103176 0.355126 2C 2px 0.717518 -0.345692 -0.670944 0.135469 0.016647 0.201717 2C 2py 0.052084 0.543610 0.109081 0.092525 0.583055 0.194276 2C 3pz -0.324715 0.247726 0.081958 0.035163 -0.018444 0.085765 2C 3px -0.361713 0.246407 0.341924 0.109693 0.169932 0.054121 2C 3py -0.123581 -0.167821 -0.014058 0.063593 0.068571 0.091237 2C 1dz2 -0.012009 0.014282 -0.004819 0.006782 -0.007357 0.007115 2C 1dxz -0.017309 0.022483 0.012075 -0.023379 -0.016590 -0.023467 2C 1dyz 0.000006 -0.011035 -0.011867 -0.002536 -0.016491 -0.001209 2C 1dx2y2 0.014148 0.014242 -0.011986 0.001945 0.002151 0.000278 2C 1dxy -0.001887 -0.018274 -0.009608 -0.012548 -0.005312 -0.014168 2C 2dz2 0.093091 0.001778 -0.010987 0.045509 0.313470 0.072254 2C 2dxz -0.138312 0.167520 0.179407 0.044937 0.187283 0.098029 2C 2dyz 0.256403 -0.069173 -0.163662 0.101672 0.438451 0.164591 2C 2dx2y2 0.132317 0.047598 -0.081509 -0.019918 -0.187802 -0.045672 2C 2dxy 0.028060 -0.199794 -0.076186 0.069386 0.133456 0.100110 2C 1f0 0.011597 0.033047 -0.012349 0.010359 -0.002279 0.004587 2C 1f+1 0.009687 -0.008434 -0.017773 0.000306 0.003511 0.007214 2C 1f-1 -0.014404 -0.005266 0.010967 0.013735 0.017869 0.008193 2C 1f+2 -0.019010 0.020386 0.012865 -0.015778 -0.004773 -0.012079 2C 1f-2 -0.013382 0.014592 0.017944 -0.000699 -0.002131 -0.001568 2C 1f+3 -0.000934 0.019727 0.012411 -0.014892 -0.004949 -0.005240 2C 1f-3 0.024061 -0.024687 -0.017803 0.007287 -0.001490 0.007502 3C 1s -0.003989 -0.002628 0.005127 -0.008074 0.008181 0.002333 3C 2s -0.008581 -0.008403 0.016347 -0.028206 0.032542 0.008855 3C 3s 0.050175 0.084210 -0.153814 0.342613 -0.478657 -0.100104 3C 4s 0.127077 -0.199520 0.298679 -0.914308 1.639641 0.237235 3C 5s 1.652732 0.300846 -0.765142 -0.275486 0.658326 0.312437 3C 1pz -0.021083 -0.020736 0.193970 0.037932 -0.110624 -0.009232 3C 1px -0.008209 0.205642 -0.093129 -0.036042 -0.043683 -0.001630 3C 1py 0.108032 -0.027595 0.102183 -0.035912 0.113696 0.020972 3C 2pz 0.306771 0.074380 -0.721345 -0.174917 0.748381 0.058947 3C 2px 0.184321 -0.746544 0.363590 -0.050148 0.409721 -0.006388 3C 2py -0.725721 0.064234 -0.366355 0.261069 -0.982571 -0.135632 3C 3pz 0.262371 -0.126746 0.370404 -0.001406 0.044815 0.049855 3C 3px 0.121186 0.243358 -0.223850 -0.204196 0.143395 -0.026921 3C 3py -0.176430 -0.043737 0.337783 0.145016 -0.234156 -0.108925 3C 1dz2 -0.000353 -0.000526 0.009941 -0.008708 0.005897 0.002930 3C 1dxz -0.005778 0.026742 -0.002317 0.008959 -0.016752 -0.002051 3C 1dyz 0.001687 0.014252 -0.031387 0.004067 0.008555 -0.001296 3C 1dx2y2 0.012353 0.004998 0.022131 0.009912 0.004046 -0.002703 3C 1dxy 0.012233 0.001044 0.012774 -0.023424 0.016575 0.009007 3C 2dz2 -0.083869 -0.005902 -0.099776 0.052296 -0.090365 -0.013861 3C 2dxz 0.157204 0.207461 -0.059425 -0.104990 0.159115 0.017916 3C 2dyz -0.224379 0.180393 -0.224404 0.058540 -0.368138 -0.058200 3C 2dx2y2 -0.173269 0.045260 0.131902 0.052000 -0.344163 -0.043405 3C 2dxy -0.191073 0.058399 0.057029 0.114156 -0.321627 -0.003128 3C 1f0 0.002032 -0.001678 0.024996 0.000946 -0.011548 0.002042 3C 1f+1 -0.003587 -0.019925 0.035456 -0.000625 -0.003695 -0.002397 3C 1f-1 -0.011884 -0.008771 -0.035567 0.005916 0.000081 -0.003473 3C 1f+2 0.026396 -0.015179 0.002484 0.018176 0.001643 -0.002981 3C 1f-2 0.022834 0.004903 -0.014562 -0.002428 0.006065 0.002614 3C 1f+3 -0.006589 0.019473 0.004496 -0.003850 -0.006587 -0.001097 3C 1f-3 0.005547 0.028386 -0.007402 0.005262 -0.006845 -0.004968 4C 1s -0.001394 -0.001108 -0.003920 -0.005419 -0.002084 -0.005523 4C 2s -0.003106 -0.002100 -0.009973 -0.017925 -0.005550 -0.018257 4C 3s 0.076541 -0.052158 -0.032221 0.325342 0.258971 0.382654 4C 4s 0.165124 0.306822 0.414225 -1.097955 -1.065963 -1.502186 4C 5s 0.313194 -0.461825 -0.999454 0.113909 -0.506701 -0.169467 4C 1pz 0.057471 -0.004231 -0.043785 -0.019026 -0.065159 -0.049457 4C 1px 0.006422 0.000253 -0.011934 0.031164 0.085381 0.074348 4C 1py -0.002089 0.054344 0.011266 -0.022039 -0.016111 -0.007739 4C 2pz 0.083276 0.023646 0.122486 0.361641 1.245282 0.237519 4C 2px 0.350118 0.026904 -0.024091 -0.727514 -0.786807 -0.116695 4C 2py 0.269646 -0.160558 0.013266 -0.017720 0.473933 0.123819 4C 3pz -1.361970 0.396274 0.094884 0.532645 -0.001130 0.506910 4C 3px 0.003337 0.014399 -0.016192 -0.939227 -0.317092 -0.463900 4C 3py -0.920983 0.275496 0.091931 -0.035650 -0.167529 0.126015 4C 1dz2 -0.009374 -0.026014 -0.004458 -0.002427 -0.005515 0.008754 4C 1dxz -0.009639 -0.012226 -0.003178 0.000732 -0.020486 -0.007798 4C 1dyz -0.019787 0.012207 -0.015207 -0.003309 -0.017399 -0.004270 4C 1dx2y2 0.009635 -0.007926 0.021485 -0.006115 0.003860 -0.006854 4C 1dxy 0.003783 -0.003730 -0.000866 -0.003252 0.001408 -0.008149 4C 2dz2 -0.083991 -0.018295 0.067470 -0.044435 -0.174155 -0.142183 4C 2dxz 0.104768 -0.129023 -0.040908 0.069535 -0.359555 0.225151 4C 2dyz -0.229156 0.036261 0.078761 -0.123546 -0.426799 -0.150621 4C 2dx2y2 -0.081507 -0.079537 0.002607 -0.076234 0.169390 -0.066053 4C 2dxy 0.028869 0.153875 0.059086 -0.043982 -0.262189 0.036663 4C 1f0 0.002723 0.003893 -0.016536 -0.004389 -0.001858 0.008011 4C 1f+1 0.003516 0.017068 -0.015183 0.014059 0.015639 0.015822 4C 1f-1 0.011617 -0.003123 -0.025028 0.028673 0.046604 0.023982 4C 1f+2 -0.016227 0.015947 0.018487 0.008240 -0.004553 -0.017655 4C 1f-2 0.002364 -0.015798 -0.006344 0.003210 0.015735 0.008397 4C 1f+3 -0.014039 -0.001570 -0.010935 0.023006 0.020797 0.004129 4C 1f-3 -0.007123 -0.023345 0.005181 0.030145 0.015411 0.009135 5C 1s 0.006756 -0.005018 0.003393 0.001950 0.002978 0.001677 5C 2s 0.023629 -0.014118 0.009032 0.006560 0.011000 0.004988 5C 3s -0.365866 0.053643 -0.052702 -0.229114 0.093102 0.032407 5C 4s 1.490791 0.096905 0.155233 1.015963 -0.711806 -0.339565 5C 5s 0.123134 -0.659645 1.060616 0.407540 -0.508695 -0.280758 5C 1pz 0.023803 -0.023583 -0.053377 0.012397 -0.033195 -0.078437 5C 1px 0.036127 -0.016345 -0.030786 -0.031991 0.079304 0.106718 5C 1py -0.070649 0.026656 -0.017318 -0.052463 0.032155 0.023103 5C 2pz 0.433846 0.049081 0.148870 -0.318513 0.759054 0.358860 5C 2px 0.113194 -0.087972 0.245155 0.710527 -0.452705 -0.786410 5C 2py -0.610314 -0.007177 0.040563 0.336203 -1.024253 -0.190044 5C 3pz 0.605909 0.056184 -0.232443 -0.578093 0.456391 0.129142 5C 3px 0.112406 0.038531 -0.160606 0.974759 -0.188413 0.149480 5C 3py -1.061591 0.047111 0.242804 0.595355 -0.671746 -0.218822 5C 1dz2 -0.010598 -0.011160 -0.020588 0.001190 0.004626 0.004938 5C 1dxz -0.005851 -0.004217 -0.009154 -0.000813 -0.015690 -0.004143 5C 1dyz 0.003719 0.009936 0.013677 -0.003597 0.003704 -0.005244 5C 1dx2y2 0.016289 0.007924 -0.022690 -0.000043 0.012800 -0.000293 5C 1dxy 0.016314 0.012957 -0.009512 -0.004490 0.012263 0.011279 5C 2dz2 -0.158454 0.101349 -0.104426 -0.054059 0.042690 0.151856 5C 2dxz -0.316591 -0.165886 0.037737 -0.050867 -0.236904 -0.132190 5C 2dyz 0.202213 -0.138375 0.201565 -0.153116 0.309139 -0.089324 5C 2dx2y2 0.556545 -0.162477 0.052902 -0.010038 0.342324 -0.204861 5C 2dxy 0.219897 -0.045008 -0.156769 0.034052 0.449155 0.270378 5C 1f0 -0.021899 0.004746 0.002190 0.025847 -0.034492 -0.008467 5C 1f+1 -0.009847 0.017881 0.016346 -0.024718 0.007993 0.013105 5C 1f-1 -0.000496 0.007913 -0.012740 0.004801 -0.003758 -0.001721 5C 1f+2 -0.010336 0.023417 -0.026859 -0.003996 -0.023554 -0.000523 5C 1f-2 0.005935 0.005740 -0.007769 -0.006828 -0.013894 0.001355 5C 1f+3 -0.004766 -0.019495 -0.006872 -0.036038 0.034730 0.011971 5C 1f-3 0.018504 0.014178 0.014877 0.007020 -0.005211 -0.002359 6C 1s 0.006934 0.004119 -0.003312 -0.002209 0.003119 -0.001717 6C 2s 0.023920 0.010916 -0.008778 -0.007446 0.011423 -0.005312 6C 3s -0.352756 -0.008536 0.051566 0.232475 0.100790 -0.042088 6C 4s 1.405175 -0.298101 -0.155117 -1.011904 -0.764328 0.384123 6C 5s 0.195935 0.637871 -1.057239 -0.392512 -0.535763 0.355310 6C 1pz -0.031760 -0.020051 -0.051892 0.012947 0.033137 -0.073209 6C 1px -0.038346 -0.010528 -0.031040 -0.029735 -0.080515 0.090041 6C 1py 0.066553 0.012984 -0.017414 -0.053303 -0.034293 0.021437 6C 2pz -0.405772 0.122243 0.141782 -0.300781 -0.766164 0.357973 6C 2px -0.122633 -0.075640 0.252607 0.701552 0.460953 -0.565444 6C 2py 0.600469 -0.100942 0.045039 0.310081 1.035517 -0.255709 6C 3pz -0.578929 0.115818 -0.231909 -0.565156 -0.484157 0.070191 6C 3px -0.095613 0.011473 -0.153187 0.959526 0.204554 0.182007 6C 3py 1.023901 -0.063562 0.241239 0.579454 0.709683 -0.149080 6C 1dz2 -0.008661 0.012893 0.020693 -0.001275 0.004258 -0.004535 6C 1dxz -0.006530 0.005410 0.009277 0.001343 -0.015971 0.004789 6C 1dyz 0.002998 -0.011236 -0.013737 0.003580 0.003879 0.004009 6C 1dx2y2 0.014326 -0.010705 0.022818 -0.000535 0.012494 -0.002235 6C 1dxy 0.013093 -0.015585 0.009645 0.004351 0.012575 -0.012533 6C 2dz2 -0.180884 -0.077951 0.105981 0.056326 0.043822 -0.136270 6C 2dxz -0.263163 0.203316 -0.039877 0.054134 -0.231765 0.122884 6C 2dyz 0.215196 0.094042 -0.200876 0.141715 0.323035 0.030235 6C 2dx2y2 0.567347 0.079156 -0.053967 -0.004283 0.347060 0.137235 6C 2dxy 0.230395 0.013838 0.159338 -0.044788 0.442391 -0.254880 6C 1f0 0.019722 0.001193 0.002501 0.024702 0.035332 -0.008260 6C 1f+1 0.012606 0.016667 0.016262 -0.024489 -0.008958 0.009984 6C 1f-1 0.002658 0.007161 -0.012757 0.004626 0.004199 -0.001552 6C 1f+2 0.014268 0.020912 -0.026946 -0.004905 0.024330 -0.005245 6C 1f-2 -0.005990 0.006566 -0.007847 -0.007045 0.014554 -0.002420 6C 1f+3 0.000886 -0.018917 -0.007187 -0.035013 -0.036124 0.011748 6C 1f-3 -0.016493 0.016375 0.014889 0.006867 0.005789 -0.003173 7C 1s -0.001726 0.000997 0.003913 0.005625 -0.002085 0.004473 7C 2s -0.004336 0.001502 0.009943 0.018542 -0.005555 0.014641 7C 3s 0.098762 0.056049 0.031504 -0.340437 0.254007 -0.364819 7C 4s 0.075877 -0.387614 -0.409828 1.150233 -1.042579 1.501433 7C 5s 0.353241 0.384113 1.005633 -0.100726 -0.515106 0.227870 7C 1pz -0.059130 0.005818 -0.041355 -0.022165 0.067038 -0.045107 7C 1px -0.006727 0.000705 -0.011061 0.035691 -0.083459 0.067496 7C 1py 0.013416 0.052091 0.009751 -0.021918 0.016732 -0.005642 7C 2pz -0.068852 0.067278 0.110011 0.410193 -1.239456 0.299147 7C 2px -0.336747 0.095533 -0.022510 -0.774030 0.750525 -0.020968 7C 2py -0.286987 -0.088935 0.012897 -0.006108 -0.486204 0.192656 7C 3pz 1.442730 0.217024 0.095712 0.537351 0.027104 0.591310 7C 3px -0.001097 0.032494 -0.008788 -0.947261 0.293742 -0.379457 7C 3py 0.974231 0.153620 0.091662 -0.035691 0.173648 0.205112 7C 1dz2 -0.005874 0.027243 0.004384 0.002608 -0.005017 -0.006899 7C 1dxz -0.008724 0.014110 0.003114 0.000160 -0.020362 0.008803 7C 1dyz -0.021759 -0.008441 0.015124 0.004140 -0.017717 0.004803 7C 1dx2y2 0.009686 0.005994 -0.021661 0.005854 0.004448 0.004110 7C 1dxy 0.005096 0.002627 0.001034 0.003559 0.001117 0.008904 7C 2dz2 -0.079540 0.047171 -0.071338 0.045467 -0.175689 0.193642 7C 2dxz 0.131372 0.124723 0.040340 -0.051312 -0.350679 -0.205513 7C 2dyz -0.215372 0.011641 -0.080299 0.140037 -0.425287 0.204870 7C 2dx2y2 -0.065638 0.069492 0.000067 0.074087 0.172909 0.031638 7C 2dxy -0.015771 -0.161891 -0.056513 0.057586 -0.253055 -0.057441 7C 1f0 -0.003604 0.003928 -0.016347 -0.004710 0.002277 0.008979 7C 1f+1 -0.000769 0.016470 -0.014851 0.014990 -0.014853 0.016337 7C 1f-1 -0.010149 -0.000704 -0.025272 0.030459 -0.045553 0.027909 7C 1f+2 0.018609 0.013490 0.018370 0.007943 0.005174 -0.021335 7C 1f-2 -0.005074 -0.014528 -0.006140 0.003672 -0.015336 0.010752 7C 1f+3 0.011677 -0.003436 -0.011032 0.023883 -0.019869 0.003158 7C 1f-3 0.003368 -0.025162 0.005132 0.030942 -0.014367 0.007457 8C 1s -0.003455 0.003081 -0.005035 0.007993 0.008569 -0.002507 8C 2s -0.007010 0.009115 -0.016026 0.027751 0.033962 -0.010022 8C 3s 0.034199 -0.083549 0.150337 -0.334948 -0.495659 0.128181 8C 4s 0.163451 0.158356 -0.290113 0.884692 1.683917 -0.358519 8C 5s 1.546861 -0.483424 0.758064 0.251744 0.693502 -0.291400 8C 1pz 0.030938 -0.016423 0.191159 0.034167 0.112998 -0.018307 8C 1px 0.049363 0.200860 -0.097068 -0.039393 0.042960 -0.007638 8C 1py -0.093861 -0.007365 0.098420 -0.031889 -0.117180 0.032084 8C 2pz -0.333231 0.096248 -0.713055 -0.152782 -0.758429 0.128884 8C 2px -0.329976 -0.699589 0.376304 -0.030847 -0.416515 0.041572 8C 2py 0.667663 -0.064617 -0.351957 0.232577 1.003124 -0.235335 8C 3pz -0.250159 -0.082529 0.366157 -0.000436 -0.051397 0.041235 8C 3px -0.072644 0.259676 -0.230840 -0.202999 -0.150835 -0.026128 8C 3py 0.176822 -0.049905 0.331505 0.138860 0.245420 -0.102537 8C 1dz2 0.001058 -0.000004 -0.009987 0.008539 0.006452 -0.002882 8C 1dxz -0.011622 -0.025080 0.002337 -0.008164 -0.017247 0.002527 8C 1dyz 0.000164 -0.013930 0.031311 -0.004129 0.008076 -0.000836 8C 1dx2y2 0.010170 -0.007401 -0.021887 -0.009906 0.003781 0.001000 8C 1dxy 0.010779 -0.003604 -0.012737 0.022908 0.017753 -0.008749 8C 2dz2 -0.071419 0.019785 0.099093 -0.048770 -0.093956 0.024054 8C 2dxz 0.099324 -0.228424 0.061369 0.101260 0.164239 -0.033807 8C 2dyz -0.233749 -0.134461 0.221313 -0.046683 -0.374180 0.097774 8C 2dx2y2 -0.192377 -0.020793 -0.129261 -0.041972 -0.347395 0.077515 8C 2dxy -0.202810 -0.027473 -0.058824 -0.103712 -0.329808 0.037722 8C 1f0 0.000683 -0.000764 0.024760 0.000643 0.011545 0.000440 8C 1f+1 -0.000587 -0.019094 0.035361 -0.000392 0.003262 -0.002041 8C 1f-1 0.008277 -0.011113 -0.035245 0.005887 0.000467 -0.002750 8C 1f+2 -0.027423 -0.011056 0.002309 0.019010 -0.001485 -0.000989 8C 1f-2 -0.020475 0.007717 -0.014412 -0.001668 -0.006271 0.002234 8C 1f+3 0.011776 0.018186 0.004195 -0.004413 0.006454 -0.000494 8C 1f-3 -0.000742 0.028453 -0.007445 0.004846 0.006881 -0.004833 9C 1s 0.000599 0.002976 0.005302 -0.012184 0.009713 -0.011024 9C 2s 0.004290 0.009003 0.016383 -0.040897 0.037053 -0.038764 9C 3s -0.091894 -0.088533 -0.168223 0.481449 -0.547517 0.466771 9C 4s 0.309277 0.174689 0.388841 -1.269492 1.840953 -1.270211 9C 5s -1.619962 -0.437877 -0.747095 0.382505 -0.244654 -0.170701 9C 1pz -0.003718 0.096897 0.052504 -0.030486 0.136791 -0.071932 9C 1px 0.189689 0.072808 0.206714 0.000975 -0.035665 -0.016039 9C 1py -0.052697 -0.147461 -0.021435 -0.000514 0.046484 -0.033289 9C 2pz -0.174255 -0.326663 -0.133490 0.237542 -1.097407 0.456742 9C 2px -0.709655 -0.247541 -0.678403 0.137677 -0.013479 0.226580 9C 2py 0.066110 0.555295 0.084315 0.119739 -0.584761 0.301277 9C 3pz 0.372329 0.196897 0.075583 0.037139 0.024480 0.123937 9C 3px 0.371839 0.190272 0.342716 0.115852 -0.166604 0.051867 9C 3py 0.103914 -0.171635 -0.001658 0.066192 -0.068615 0.105391 9C 1dz2 -0.013474 -0.011733 0.005184 -0.006562 -0.007479 -0.005733 9C 1dxz -0.020250 -0.019473 -0.012350 0.023994 -0.016320 0.023146 9C 1dyz 0.000096 0.010879 0.011808 0.003225 -0.016493 0.002633 9C 1dx2y2 0.010165 -0.016690 0.012184 -0.002383 0.002067 -0.002282 9C 1dxy 0.002862 0.017766 0.009429 0.013115 -0.005565 0.014793 9C 2dz2 0.083404 -0.022578 0.014034 -0.055959 0.309111 -0.105963 9C 2dxz -0.164103 -0.154139 -0.178940 -0.050634 0.188001 -0.120865 9C 2dyz 0.248650 0.015131 0.164187 -0.117763 0.438633 -0.218701 9C 2dx2y2 0.100297 -0.062514 0.080805 0.025396 -0.190331 0.059491 9C 2dxy 0.076890 0.184830 0.075176 -0.071136 0.131150 -0.103051 9C 1f0 -0.004252 0.033651 -0.013066 0.010993 0.002644 0.005120 9C 1f+1 -0.012476 -0.006786 -0.017965 0.000263 -0.003135 0.006264 9C 1f-1 0.011212 -0.007604 0.010625 0.014299 -0.017815 0.006199 9C 1f+2 0.020215 0.018042 0.012525 -0.016789 0.004944 -0.009861 9C 1f-2 0.014887 0.011769 0.018060 -0.000587 0.001575 -0.002296 9C 1f+3 0.006446 0.020413 0.012562 -0.014959 0.004311 -0.002271 9C 1f-3 -0.025780 -0.020564 -0.017663 0.006747 0.001556 0.007174 10H 1s 0.065831 -0.018152 -0.051444 0.021618 -0.017313 0.025659 10H 2s -0.583401 0.202129 0.521193 -0.193542 0.207859 -0.112326 10H 3s 0.427224 -0.225826 -0.495621 0.209656 -0.102701 0.107115 10H 1pz 0.003333 -0.051960 0.023729 0.096400 0.112703 0.089719 10H 1px 0.098689 -0.058726 -0.085596 0.065928 0.024269 0.067244 10H 1py 0.023214 0.043007 -0.028540 0.036189 0.074770 0.060366 11H 1s -0.043598 0.092622 0.057788 -0.021828 -0.026560 -0.036073 11H 2s 0.423052 -0.642127 -0.497269 -0.051691 0.040865 0.019743 11H 3s -0.233446 0.433818 0.239768 0.086793 0.078391 0.032605 11H 1pz 0.033528 0.033645 -0.032958 -0.008539 0.065673 0.016434 11H 1px 0.040386 -0.052521 -0.051226 0.034977 0.025233 0.047510 11H 1py -0.035378 0.158573 0.005143 0.045359 0.085067 0.055584 12H 1s -0.023243 -0.061941 0.013995 -0.007189 0.000509 -0.027107 12H 2s 0.277387 0.472022 -0.054025 -0.160397 -0.104276 -0.088620 12H 3s -0.037399 -0.311625 -0.026142 0.112924 0.156690 0.075951 12H 1pz -0.000271 -0.150042 0.033710 0.016152 0.067600 0.019698 12H 1px 0.048752 -0.023669 -0.011521 -0.029207 -0.010900 0.002901 12H 1py 0.019933 0.038481 -0.000191 -0.006196 0.024850 0.007039 13H 1s -0.015967 -0.062933 0.062833 0.001905 -0.011838 0.002270 13H 2s 0.289486 0.546574 -0.579267 -0.027136 0.169988 0.016716 13H 3s -0.172211 -0.433699 0.533127 -0.017738 -0.065452 -0.004585 13H 1pz 0.031527 0.017034 -0.084969 -0.013060 0.056182 0.017366 13H 1px -0.024560 -0.085113 0.073339 -0.032229 0.038244 0.031885 13H 1py -0.060885 0.006068 -0.098185 0.117699 -0.113227 -0.042216 14H 1s -0.013170 0.074472 0.016734 0.010185 -0.047463 -0.009472 14H 2s 0.108552 -0.559870 -0.143681 0.148892 0.215924 -0.028062 14H 3s -0.130026 0.225454 0.178353 -0.035553 -0.099126 -0.020951 14H 1pz 0.033995 -0.005568 -0.037526 -0.028665 0.050836 -0.008556 14H 1px 0.018426 -0.055159 0.012695 0.041716 0.024129 0.010638 14H 1py -0.025788 -0.074180 -0.126214 -0.023653 -0.036321 0.002647 15H 1s -0.040074 0.017225 -0.104858 0.011340 -0.013317 -0.015106 15H 2s 0.265946 -0.165557 0.689402 0.093604 -0.030173 0.033577 15H 3s -0.344589 0.117726 -0.555002 -0.090200 0.075151 -0.003066 15H 1pz -0.015077 -0.018314 -0.189641 -0.029064 0.071514 -0.005466 15H 1px 0.032374 -0.025192 -0.031024 -0.098812 0.060278 0.032135 15H 1py -0.042520 0.037854 0.020264 -0.005221 -0.060510 -0.002394 16H 1s -0.237520 -0.060970 -0.041337 -0.033587 0.148590 -0.214430 16H 2s 1.427039 0.426565 0.385592 0.246002 -0.569275 0.682024 16H 3s -0.191598 -0.149892 -0.084669 -0.076645 0.217910 -0.014271 16H 1pz 0.134806 0.039926 0.017832 0.080199 -0.207691 0.045218 16H 1px 0.039815 0.016186 0.154628 0.104298 -0.196810 0.009423 16H 1py 0.128249 0.038450 0.044129 -0.147605 0.112216 0.307803 17H 1s -0.085269 0.049666 0.045771 0.073846 0.091550 -0.242638 17H 2s 0.404512 -0.412400 -0.196395 -0.377105 -0.418858 0.761851 17H 3s 0.062598 0.106953 0.112102 0.113403 0.001585 -0.161402 17H 1pz -0.066517 0.064627 -0.013658 0.190980 -0.181062 -0.303050 17H 1px -0.011919 -0.082283 0.098386 -0.030061 0.081119 0.033679 17H 1py 0.031050 -0.094643 0.009851 0.087600 -0.214061 0.114717 18H 1s -0.093662 -0.022583 -0.048012 -0.075469 0.081515 0.222869 18H 2s 0.476577 0.263122 0.214981 0.383044 -0.373071 -0.693024 18H 3s 0.040443 -0.099674 -0.119340 -0.112457 -0.006733 0.122818 18H 1pz 0.077611 0.048629 -0.006207 0.179773 0.193637 -0.243942 18H 1px 0.005135 -0.087160 0.096260 -0.027244 -0.088740 0.029187 18H 1py -0.037637 -0.082293 0.011918 0.084302 0.218269 0.135868 19H 1s -0.224849 0.096166 0.044716 0.029091 0.144074 0.205513 19H 2s 1.358191 -0.634334 -0.403434 -0.230080 -0.551148 -0.632125 19H 3s -0.164118 0.167332 0.093087 0.067798 0.222405 0.028306 19H 1pz -0.118696 0.056932 0.022440 0.074803 0.215003 0.061116 19H 1px -0.037713 0.020396 0.159164 0.096299 0.198674 0.043495 19H 1py -0.130573 0.058482 0.044174 -0.137422 -0.121067 0.258161 20H 1s -0.034773 -0.008045 0.103506 -0.010684 -0.015203 0.015290 20H 2s 0.223325 0.101065 -0.679539 -0.097673 -0.028708 -0.040421 20H 3s -0.316349 -0.052865 0.548663 0.090921 0.074299 -0.000635 20H 1pz 0.005212 -0.023088 -0.188494 -0.028082 -0.071681 0.003426 20H 1px -0.032835 -0.019704 -0.031169 -0.095405 -0.063037 0.029969 20H 1py 0.043984 0.029520 0.021236 -0.007347 0.060633 -0.013149 21H 1s -0.031115 -0.071994 -0.015685 -0.007536 -0.048738 0.012291 21H 2s 0.254656 0.542913 0.131053 -0.164233 0.212777 -0.000850 21H 3s -0.195035 -0.213888 -0.169364 0.044622 -0.098566 0.025514 21H 1pz -0.035486 -0.000562 -0.037154 -0.025809 -0.051423 -0.002335 21H 1px -0.032372 -0.052670 0.014852 0.042520 -0.023599 0.014907 21H 1py 0.008970 -0.079229 -0.125635 -0.022619 0.037573 -0.007285 22H 1s -0.003838 0.062051 -0.063177 -0.001950 -0.011731 -0.000892 22H 2s 0.182633 -0.564577 0.582027 0.021893 0.171538 -0.036598 22H 3s -0.100293 0.442615 -0.533588 0.017996 -0.063677 0.024570 22H 1pz -0.028296 0.019294 -0.084877 -0.012385 -0.057292 0.021701 22H 1px 0.008493 -0.085842 0.073939 -0.032250 -0.040179 0.031033 22H 1py 0.060676 -0.006029 -0.096245 0.113868 0.118877 -0.042067 23H 1s -0.005832 0.064789 -0.016233 0.008455 0.000217 0.034446 23H 2s 0.135485 -0.503940 0.068554 0.158698 -0.101123 0.033790 23H 3s 0.046903 0.312741 0.014647 -0.118250 0.156143 -0.046192 23H 1pz -0.027490 -0.145122 0.035854 0.019901 -0.069857 0.027550 23H 1px -0.044651 -0.016734 -0.011650 -0.026326 0.008253 0.008066 23H 1py -0.010118 0.041426 -0.001898 -0.005854 -0.024675 0.015915 24H 1s -0.056738 -0.083315 -0.056915 0.021936 -0.025920 0.036388 24H 2s 0.520151 0.562552 0.488176 0.058798 0.037802 -0.023316 24H 3s -0.283109 -0.379911 -0.232218 -0.094491 0.075659 -0.030008 24H 1pz -0.027347 0.040422 -0.032303 -0.006084 -0.065207 0.026441 24H 1px -0.047848 -0.046469 -0.051275 0.032150 -0.022782 0.042930 24H 1py 0.057153 0.150896 0.002639 0.047321 -0.082660 0.060238 25H 1s 0.063384 0.010010 0.052304 -0.021985 -0.016968 -0.023341 25H 2s -0.563021 -0.136235 -0.527289 0.195138 0.210995 0.087546 25H 3s 0.426559 0.169958 0.499801 -0.211051 -0.109380 -0.092833 25H 1pz -0.008576 -0.047111 0.023762 0.099246 -0.111786 0.092734 25H 1px -0.098141 -0.046285 -0.086384 0.067928 -0.023439 0.064069 25H 1py -0.015042 0.046449 -0.031043 0.041708 -0.074720 0.064987 26O 1s 0.001254 0.000206 -0.002312 -0.002344 -0.002713 -0.000828 26O 2s 0.002027 0.000954 -0.005386 -0.005491 -0.005564 -0.002634 26O 3s 0.015394 -0.007212 0.002653 -0.015750 -0.023890 0.001912 26O 4s -0.101204 0.042511 0.175330 0.174022 0.190359 0.043444 26O 5s 0.168721 -0.356242 -0.744628 0.930974 0.728075 0.360292 26O 1pz -0.026362 0.019558 0.006181 0.022908 -0.003805 -0.021318 26O 1px -0.006777 0.020027 0.020270 -0.047043 -0.046137 -0.008862 26O 1py -0.008940 -0.009800 -0.002026 -0.019244 -0.010829 -0.005680 26O 2pz -0.038822 0.026211 0.057259 -0.000490 0.013894 -0.023295 26O 2px -0.043550 0.034110 0.087580 -0.152221 -0.205235 -0.097156 26O 2py -0.035597 0.031807 0.061880 -0.053584 -0.060541 -0.048347 26O 3pz 0.452530 -0.065162 -0.519339 -0.674968 -0.050650 -0.452866 26O 3px 0.675430 0.032765 -0.321778 -0.320400 0.029414 0.057568 26O 3py 0.342605 -0.323839 -0.293456 -0.511117 -0.095308 -0.313713 26O 1dz2 -0.002215 0.000414 0.000182 0.002079 -0.001205 0.001953 26O 1dxz 0.003935 0.001763 0.000214 -0.002305 0.000909 0.000011 26O 1dyz 0.001001 0.000983 0.000806 0.000042 -0.002474 0.001890 26O 1dx2y2 0.002468 0.001824 -0.000497 -0.001628 -0.001114 -0.001328 26O 1dxy 0.003241 -0.000711 0.001753 -0.002976 -0.000932 -0.000769 26O 2dz2 0.080449 0.303091 -0.107862 -0.148153 -0.058882 -0.013876 26O 2dxz -0.023948 0.059105 0.009517 0.209430 0.171643 0.166366 26O 2dyz -0.021628 -0.180442 0.049088 -0.062887 -0.021242 -0.041172 26O 2dx2y2 -0.006943 0.086788 -0.138559 -0.025181 0.058179 -0.049899 26O 2dxy 0.017156 0.132944 0.033889 0.126406 0.117938 0.044855 26O 1f0 0.001598 0.000475 -0.000963 0.001582 0.004659 0.003466 26O 1f+1 -0.001269 -0.002047 -0.001942 0.008135 0.006455 0.007654 26O 1f-1 -0.001707 -0.000936 -0.001082 0.001506 0.000774 -0.002084 26O 1f+2 -0.002258 -0.001517 -0.001451 -0.003185 -0.003267 -0.003590 26O 1f-2 -0.001275 0.000657 0.000306 0.000431 -0.002995 -0.001361 26O 1f+3 -0.000808 0.001829 -0.001995 0.002388 0.002089 0.000505 26O 1f-3 0.001141 0.000403 -0.001839 0.008378 0.008719 0.008200 27O 1s 0.000136 -0.003373 0.001443 0.001813 -0.003408 0.000535 27O 2s -0.000177 -0.007763 0.002198 0.003771 -0.007617 0.003780 27O 3s 0.022121 -0.004684 0.027334 0.024226 -0.009964 -0.066501 27O 4s -0.114735 0.276720 -0.240351 -0.186304 0.156570 0.328594 27O 5s -1.321468 -0.531525 0.214108 -0.810973 0.052965 0.388524 27O 1pz 0.012516 0.027316 -0.011547 -0.008258 -0.003679 -0.012564 27O 1px -0.001426 0.011039 -0.013950 0.058075 -0.042921 -0.027525 27O 1py -0.002061 0.006424 0.020633 0.011265 -0.012116 0.022375 27O 2pz 0.029072 0.017890 -0.029786 -0.026383 0.039554 0.003379 27O 2px 0.155776 0.000590 0.053921 0.122177 -0.114452 -0.276684 27O 2py -0.083610 -0.037312 0.024255 -0.005843 -0.027840 0.072533 27O 3pz -0.122159 -0.043475 0.285270 0.445549 -0.126370 0.002256 27O 3px 0.757044 -0.253821 0.300992 0.565029 0.110232 -0.047453 27O 3py -0.095684 0.458538 -0.172843 -0.913989 0.164175 -0.008282 27O 1dz2 -0.002220 0.000216 -0.001083 -0.001529 0.000309 0.001512 27O 1dxz 0.002131 0.001158 0.001198 0.000261 0.000212 0.001079 27O 1dyz 0.001400 -0.001686 0.000749 0.001195 0.003866 -0.002144 27O 1dx2y2 0.002678 0.000467 0.001551 0.003994 0.000280 -0.003254 27O 1dxy -0.006058 0.000236 0.001754 -0.002817 -0.000525 -0.001165 27O 2dz2 0.027419 0.221214 0.240589 0.051505 -0.074366 -0.044174 27O 2dxz -0.004569 -0.024133 0.063769 -0.143970 0.086323 0.030017 27O 2dyz -0.011520 -0.026241 -0.139158 -0.165107 0.030654 -0.014980 27O 2dx2y2 -0.033318 0.084654 0.151029 -0.115118 0.111506 0.050628 27O 2dxy -0.015958 -0.152267 0.047721 0.225856 -0.102935 -0.100400 27O 1f0 0.000992 0.001145 0.001054 -0.001866 0.001771 0.002514 27O 1f+1 -0.001294 -0.003464 -0.000185 -0.006624 0.006788 0.007124 27O 1f-1 -0.000116 0.001492 -0.001239 0.000553 -0.002529 -0.000472 27O 1f+2 -0.000022 -0.000418 -0.002205 -0.002147 0.000572 0.003137 27O 1f-2 0.000663 0.000802 -0.000223 0.003543 -0.000616 0.001097 27O 1f+3 -0.003182 0.001078 -0.000603 -0.007523 0.004359 0.005918 27O 1f-3 -0.001439 -0.002271 0.002673 0.004968 -0.005907 -0.007253 28O 1s 0.000437 -0.000895 -0.003252 0.000025 -0.003351 -0.002621 28O 2s 0.001994 -0.002379 -0.007995 -0.000283 -0.013081 -0.005984 28O 3s -0.029084 0.006812 0.012847 0.009388 0.109930 -0.006907 28O 4s 0.139219 0.046178 0.173204 -0.039594 -0.331211 0.133482 28O 5s 0.540213 -0.432332 -0.868536 -0.408680 -0.641680 0.266894 28O 1pz -0.015923 -0.003631 0.013102 -0.008171 0.026265 -0.013857 28O 1px 0.019527 -0.009022 -0.009586 -0.042403 0.005487 0.002785 28O 1py -0.009511 0.041348 -0.011574 -0.029570 -0.001228 -0.000825 28O 2pz -0.089086 0.043080 0.091087 -0.023150 0.140229 -0.035514 28O 2px 0.118069 -0.024866 -0.059439 -0.010105 -0.154149 0.054537 28O 2py -0.016217 0.011804 0.031255 -0.019572 0.019749 -0.001190 28O 3pz 0.102325 -0.169986 -0.512000 0.756255 0.401829 0.154866 28O 3px -0.149234 -0.048040 -0.156602 -0.004718 -0.510562 0.417647 28O 3py 0.180318 -0.166787 -0.134695 0.493703 0.156244 0.194087 28O 1dz2 0.001726 0.000223 -0.001495 -0.001223 0.000621 -0.003493 28O 1dxz -0.001030 -0.001597 -0.000885 -0.003934 -0.005195 -0.000225 28O 1dyz 0.001834 0.001020 0.001079 -0.002161 -0.001303 -0.004712 28O 1dx2y2 -0.000692 -0.001154 0.001633 0.002069 0.002859 0.001752 28O 1dxy -0.002019 0.000607 -0.000541 -0.001358 -0.002239 0.000176 28O 2dz2 0.003046 0.167869 -0.076022 -0.135271 -0.132524 -0.095226 28O 2dxz -0.086488 -0.016398 -0.090168 0.141065 0.050445 -0.002242 28O 2dyz 0.022956 -0.129767 0.037493 0.056720 -0.052550 0.016905 28O 2dx2y2 -0.039134 -0.011795 -0.158905 0.080442 0.033657 0.161248 28O 2dxy 0.007203 0.105749 -0.035273 0.203233 0.035512 0.118165 28O 1f0 0.002445 0.004501 -0.000900 -0.002149 -0.002315 -0.000540 28O 1f+1 0.003197 0.001746 -0.000787 -0.000561 -0.005339 -0.001658 28O 1f-1 -0.000977 -0.000169 -0.001380 0.000437 -0.000177 0.003135 28O 1f+2 -0.002329 0.002394 0.002570 0.002163 0.006114 -0.000321 28O 1f-2 0.002845 -0.001149 -0.001173 0.002005 -0.002384 0.002182 28O 1f+3 0.000152 0.002465 0.002196 0.002072 0.002825 0.000097 28O 1f-3 0.002608 -0.003116 0.000948 -0.001568 0.000603 -0.002751 29O 1s -0.002190 -0.001329 -0.000406 -0.000179 0.006622 0.001988 29O 2s -0.012169 -0.003576 -0.000614 0.000351 0.021589 -0.003454 29O 3s 0.182959 0.009975 -0.010033 -0.021339 -0.142839 0.226441 29O 4s -0.678864 0.040957 0.092635 0.107655 0.138274 -1.161281 29O 5s 0.276179 -0.138837 -0.347176 -0.093992 0.903381 1.067877 29O 1pz -0.035949 -0.031709 -0.014123 -0.047483 0.046695 0.028539 29O 1px -0.018122 0.005185 -0.042216 -0.010529 0.016258 -0.015031 29O 1py -0.057746 0.017443 -0.021637 0.021898 0.042133 -0.130800 29O 2pz 0.184430 0.099156 0.067013 0.083685 -0.100760 0.000004 29O 2px -0.032355 0.013288 0.050151 0.034383 0.046729 -0.059919 29O 2py 0.183923 0.008474 -0.048935 -0.031088 -0.130142 0.299018 29O 3pz 0.594602 0.301731 0.256461 -0.008489 0.231788 0.443752 29O 3px -0.610257 0.272066 -0.058137 0.101272 -0.081750 -0.906708 29O 3py 0.158247 -0.096283 0.286426 -0.035393 -0.215169 -0.094282 29O 1dz2 0.001969 0.002749 -0.000314 0.001214 -0.000194 -0.002625 29O 1dxz -0.000860 -0.003501 -0.005223 0.000289 0.006078 -0.001812 29O 1dyz 0.001146 -0.001612 0.001539 0.002633 -0.002327 -0.002134 29O 1dx2y2 -0.002413 -0.003355 0.002700 -0.000207 -0.003776 0.004103 29O 1dxy -0.002140 0.001414 -0.003853 0.001957 -0.001737 -0.001538 29O 2dz2 -0.480451 -0.069476 -0.078832 -0.116496 0.157201 -0.222117 29O 2dxz -0.160339 0.084772 0.006420 0.178963 0.036925 -0.257589 29O 2dyz -0.306449 -0.178114 -0.083271 -0.150107 0.087583 -0.006721 29O 2dx2y2 0.187107 -0.011909 0.057558 0.022278 -0.069885 0.219207 29O 2dxy 0.356474 -0.031190 -0.167116 -0.065503 0.004926 0.292476 29O 1f0 0.015380 0.000527 0.000364 -0.003501 -0.015425 0.026453 29O 1f+1 -0.004817 0.000996 0.000182 -0.000218 0.005995 -0.010185 29O 1f-1 0.025459 0.005306 0.002623 0.001611 -0.016968 0.027321 29O 1f+2 -0.010368 -0.003596 -0.003319 -0.000591 0.011447 -0.011814 29O 1f-2 0.004149 -0.006241 -0.003832 -0.007252 -0.002704 0.021722 29O 1f+3 -0.005215 0.002903 0.001450 0.001952 0.007351 -0.013200 29O 1f-3 -0.000578 0.001543 0.005101 0.002819 0.002231 -0.008148 30O 1s 0.000976 -0.001859 0.000090 0.000875 -0.003062 -0.001663 30O 2s 0.000221 -0.004463 0.000331 0.002132 -0.011786 -0.005342 30O 3s 0.050244 0.006931 -0.006176 -0.007177 0.098312 0.042313 30O 4s -0.263425 0.102233 0.014056 -0.013990 -0.309401 -0.146599 30O 5s -0.985756 -0.649853 0.473776 0.607313 -0.700779 -0.600490 30O 1pz -0.006582 -0.015003 -0.031590 0.008256 0.022465 -0.001812 30O 1px 0.013325 -0.031011 0.011262 0.047126 0.027319 -0.002371 30O 1py -0.021169 -0.010599 0.006910 -0.017441 -0.008736 0.003536 30O 2pz 0.068247 0.067768 -0.080477 -0.005500 0.088679 0.135211 30O 2px -0.060952 -0.069902 0.088353 0.030075 -0.113596 -0.168904 30O 2py -0.085660 -0.075879 0.093225 -0.000630 -0.102214 -0.151293 30O 3pz 0.776903 -0.408373 0.573666 -0.483964 0.498070 -0.185230 30O 3px -0.650223 -0.048466 0.001244 -0.192628 -0.475483 -0.037189 30O 3py -0.849061 0.440086 -0.508069 0.662713 -0.556791 0.183172 30O 1dz2 0.001715 -0.001496 0.000690 -0.000130 0.001397 -0.000779 30O 1dxz -0.004142 -0.000884 -0.001228 0.003582 -0.003100 -0.001995 30O 1dyz -0.005290 0.000507 0.000938 -0.001482 -0.001421 0.002096 30O 1dx2y2 -0.004305 0.000837 -0.000168 -0.001981 0.000038 0.004244 30O 1dxy 0.005283 0.000511 -0.000705 -0.003584 0.004793 0.003053 30O 2dz2 -0.013231 0.123561 0.165173 0.135443 -0.088587 -0.015319 30O 2dxz 0.013277 -0.116032 0.085005 -0.041774 0.000663 0.006178 30O 2dyz 0.021794 -0.003407 -0.120586 0.017705 0.074777 0.010661 30O 2dx2y2 0.045215 -0.056561 0.178799 -0.190673 0.094824 0.040067 30O 2dxy -0.097366 -0.067283 -0.028604 0.193322 -0.006288 -0.046981 30O 1f0 -0.001156 0.000865 0.000935 0.002914 -0.003398 -0.007013 30O 1f+1 0.000995 0.002536 0.002237 0.001413 -0.001884 -0.002100 30O 1f-1 0.001036 -0.003853 -0.000693 -0.000596 0.000423 -0.001121 30O 1f+2 0.002331 0.000012 -0.001364 -0.002045 0.002529 0.000027 30O 1f-2 0.002916 0.001881 -0.003314 -0.001734 0.006706 0.006489 30O 1f+3 -0.000913 0.000525 0.000230 0.000816 -0.001306 -0.000954 30O 1f-3 0.003689 0.003404 0.001466 -0.005161 0.002000 0.004952 31O 1s 0.001030 0.001605 -0.000115 -0.000828 -0.003091 0.001615 31O 2s 0.000386 0.004119 -0.000429 -0.001929 -0.011780 0.004851 31O 3s 0.048328 -0.012755 0.007052 0.005093 0.096834 -0.033380 31O 4s -0.261165 -0.067750 -0.016780 0.021811 -0.302808 0.115648 31O 5s -0.881478 0.773692 -0.480477 -0.592161 -0.696910 0.446067 31O 1pz 0.001497 -0.017525 -0.031209 0.009311 -0.021376 -0.005604 31O 1px -0.017454 -0.028504 0.011340 0.048462 -0.027498 0.003325 31O 1py 0.018086 -0.012635 0.006813 -0.017093 0.007564 0.005203 31O 2pz -0.056883 0.071699 -0.081060 -0.004361 -0.086570 0.118929 31O 2px 0.047909 -0.072283 0.089872 0.028587 0.110965 -0.139294 31O 2py 0.073301 -0.081908 0.093747 -0.001983 0.100019 -0.136703 31O 3pz -0.825696 -0.259342 0.568069 -0.460403 -0.514423 -0.186278 31O 3px 0.621213 -0.153322 0.005185 -0.206017 0.460981 -0.019322 31O 3py 0.854246 0.284522 -0.500481 0.634473 0.576222 0.208615 31O 1dz2 0.002155 0.001182 -0.000726 0.000048 0.001423 0.000552 31O 1dxz -0.003910 0.001602 0.001208 -0.003496 -0.003211 0.001912 31O 1dyz -0.005324 0.000458 -0.000918 0.001578 -0.001299 -0.002260 31O 1dx2y2 -0.004218 -0.000079 0.000179 0.002022 0.000193 -0.004102 31O 1dxy 0.004867 -0.001392 0.000748 0.003459 0.004853 -0.003039 31O 2dz2 -0.022145 -0.121167 -0.165516 -0.129618 -0.093952 0.013424 31O 2dxz 0.054361 0.109157 -0.085030 0.041179 -0.000241 0.006082 31O 2dyz 0.013266 0.002653 0.121061 -0.018788 0.069799 0.002706 31O 2dx2y2 0.062433 0.046913 -0.178044 0.187698 0.106600 -0.034542 31O 2dxy -0.066803 0.080655 0.027895 -0.192922 -0.011426 0.025848 31O 1f0 0.001454 0.000786 0.000960 0.002858 0.003435 -0.006105 31O 1f+1 -0.000472 0.002772 0.002225 0.001317 0.001931 -0.001771 31O 1f-1 -0.001852 -0.003500 -0.000670 -0.000492 -0.000454 -0.000802 31O 1f+2 -0.002483 0.000440 -0.001396 -0.001917 -0.002553 -0.000071 31O 1f-2 -0.002584 0.002109 -0.003383 -0.001579 -0.006651 0.005298 31O 1f+3 0.000993 0.000457 0.000268 0.000796 0.001358 -0.000655 31O 1f-3 -0.002709 0.003857 0.001401 -0.005136 -0.002126 0.004011 32O 1s -0.002227 0.001830 0.000415 -0.000026 0.006520 -0.002878 32O 2s -0.012157 0.006110 0.000660 -0.000986 0.021053 0.000619 32O 3s 0.180149 -0.045152 0.009401 0.024974 -0.135217 -0.209079 32O 4s -0.662399 0.084839 -0.090485 -0.108445 0.110860 1.150698 32O 5s 0.244401 0.096833 0.346127 0.063697 0.908092 -1.194978 32O 1pz 0.028808 -0.034150 -0.015936 -0.045691 -0.048911 0.021825 32O 1px 0.017276 0.003703 -0.042469 -0.009783 -0.014930 -0.017764 32O 1py 0.060306 0.005417 -0.022396 0.021037 -0.038860 -0.123773 32O 2pz -0.158349 0.113639 0.073915 0.080428 0.101620 0.002992 32O 2px 0.039954 -0.001250 0.051869 0.035601 -0.044869 -0.048539 32O 2py -0.184152 0.048018 -0.046422 -0.032038 0.124261 0.281698 32O 3pz -0.551000 0.378325 0.258076 0.002991 -0.250719 0.395073 32O 3px 0.630271 0.142286 -0.056659 0.093049 0.110226 -0.951597 32O 3py -0.186029 -0.052326 0.289033 -0.040607 0.200586 -0.111821 32O 1dz2 0.001698 -0.002972 0.000274 -0.001149 -0.000207 0.001910 32O 1dxz -0.000561 0.003492 0.005298 -0.000487 0.005975 0.001650 32O 1dyz 0.001102 0.001460 -0.001569 -0.002533 -0.002504 0.001433 32O 1dx2y2 -0.001868 0.003696 -0.002685 0.000298 -0.003487 -0.003404 32O 1dxy -0.002407 -0.000885 0.003861 -0.001917 -0.001880 0.001187 32O 2dz2 -0.457248 0.137972 0.078476 0.105018 0.149482 0.222476 32O 2dxz -0.176418 -0.040997 -0.014604 -0.180604 0.018396 0.242015 32O 2dyz -0.287009 0.214586 0.095241 0.149110 0.098151 0.030945 32O 2dx2y2 0.185094 -0.021805 -0.063812 -0.025207 -0.068555 -0.215308 32O 2dxy 0.363808 -0.054561 0.169839 0.056530 0.016722 -0.278862 32O 1f0 -0.013638 0.002897 0.000282 -0.004023 0.013612 0.023140 32O 1f+1 0.005354 0.000070 0.000301 0.000275 -0.006179 -0.010552 32O 1f-1 -0.024649 0.009255 0.002832 0.000801 0.016707 0.027511 32O 1f+2 0.010636 -0.005326 -0.003436 -0.000084 -0.011733 -0.012333 32O 1f-2 -0.004843 -0.004519 -0.004300 -0.007353 0.001487 0.019350 32O 1f+3 0.005640 0.001349 0.001274 0.001775 -0.006825 -0.011116 32O 1f-3 0.000817 0.000979 0.005338 0.002818 -0.001757 -0.006955 33O 1s 0.000485 0.000850 0.003238 0.000121 -0.003447 0.002853 33O 2s 0.002144 0.002160 0.007946 0.000870 -0.013263 0.006502 33O 3s -0.030171 -0.003541 -0.012400 -0.014413 0.108894 0.007623 33O 4s 0.139413 -0.063302 -0.173600 0.053980 -0.320899 -0.142440 33O 5s 0.588378 0.404135 0.854488 0.443883 -0.625173 -0.249004 33O 1pz 0.012934 -0.006390 0.013405 -0.007027 -0.025931 -0.015225 33O 1px -0.019882 -0.005554 -0.009532 -0.042718 -0.005977 0.009082 33O 1py 0.017557 0.039261 -0.011636 -0.029192 0.000104 0.002981 33O 2pz 0.093678 0.034546 0.090157 -0.016081 -0.139697 -0.034012 33O 2px -0.120213 -0.010514 -0.058848 -0.018129 0.151196 0.063576 33O 2py 0.017884 0.011225 0.031243 -0.018508 -0.020833 0.004084 33O 3pz -0.101435 -0.131734 -0.519459 0.766354 -0.372523 0.158967 33O 3px 0.121431 -0.096167 -0.149835 -0.028015 0.500028 0.381291 33O 3py -0.162572 -0.135215 -0.139209 0.496878 -0.143803 0.181577 33O 1dz2 0.001828 -0.000572 0.001497 0.001211 0.000508 0.003366 33O 1dxz -0.000750 0.001938 0.000843 0.004197 -0.005046 0.000524 33O 1dyz 0.001502 -0.001355 -0.001025 0.002165 -0.001300 0.004800 33O 1dx2y2 -0.000470 0.001216 -0.001623 -0.002190 0.002864 -0.001560 33O 1dxy -0.001849 -0.000140 0.000514 0.001470 -0.002167 0.000207 33O 2dz2 -0.012268 -0.165793 0.075079 0.139659 -0.130518 0.083079 33O 2dxz -0.069075 0.027527 0.091090 -0.144151 0.045053 0.018033 33O 2dyz 0.037802 0.124815 -0.037466 -0.052776 -0.054439 -0.013860 33O 2dx2y2 -0.017794 0.015570 0.157990 -0.081315 0.031969 -0.170416 33O 2dxy -0.029229 -0.104451 0.035948 -0.206140 0.032817 -0.116256 33O 1f0 -0.001386 0.004776 -0.000877 -0.002212 0.002242 -0.000139 33O 1f+1 -0.002781 0.002138 -0.000768 -0.000779 0.005328 -0.001012 33O 1f-1 0.000982 -0.000433 -0.001348 0.000507 0.000166 0.003053 33O 1f+2 0.002829 0.002164 0.002496 0.002475 -0.006049 -0.000732 33O 1f-2 -0.002851 -0.000668 -0.001173 0.001900 0.002423 0.002258 33O 1f+3 0.000536 0.002476 0.002142 0.002237 -0.002764 -0.000114 33O 1f-3 -0.003316 -0.002638 0.000979 -0.001565 -0.000613 -0.002771 34O 1s 0.000438 0.003318 -0.001474 -0.001723 -0.003418 -0.000133 34O 2s 0.000497 0.007711 -0.002252 -0.003548 -0.007631 -0.001979 34O 3s 0.022819 0.001699 -0.027777 -0.024555 -0.010550 0.047413 34O 4s -0.144631 -0.256675 0.243755 0.186314 0.158352 -0.260832 34O 5s -1.228148 0.683161 -0.209774 0.810726 0.070126 -0.273773 34O 1pz -0.005285 0.028673 -0.011294 -0.008425 0.003635 -0.010927 34O 1px 0.001710 0.010334 -0.013293 0.056572 0.045884 -0.023674 34O 1py 0.004722 0.006235 0.020669 0.009949 0.011329 0.018716 34O 2pz -0.026271 0.022492 -0.030287 -0.025262 -0.039720 0.001553 34O 2px -0.155174 0.020817 0.055590 0.121863 0.117017 -0.234835 34O 2py 0.078550 -0.048383 0.023992 -0.007658 0.027310 0.064293 34O 3pz 0.126009 -0.067977 0.286409 0.439790 0.139270 -0.003581 34O 3px -0.744120 -0.147493 0.303900 0.571117 -0.103891 0.067717 34O 3py 0.141211 0.441585 -0.174327 -0.908203 -0.193441 -0.055428 34O 1dz2 -0.002247 0.000116 0.001113 0.001552 0.000354 -0.001101 34O 1dxz 0.001880 -0.001463 -0.001205 -0.000249 0.000286 -0.001116 34O 1dyz 0.001663 0.001385 -0.000732 -0.001352 0.003838 0.001790 34O 1dx2y2 0.002511 -0.000855 -0.001582 -0.004018 0.000181 0.002564 34O 1dxy -0.005847 0.000676 -0.001728 0.002876 -0.000480 0.001655 34O 2dz2 -0.014710 -0.218613 -0.243045 -0.049994 -0.074554 0.038391 34O 2dxz 0.017527 0.021157 -0.064007 0.140130 0.092596 -0.028011 34O 2dyz -0.006356 0.026300 0.140368 0.165115 0.033527 0.007905 34O 2dx2y2 -0.041282 -0.080740 -0.151137 0.111003 0.116154 -0.039206 34O 2dxy 0.019474 0.153361 -0.048943 -0.223767 -0.112105 0.082984 34O 1f0 -0.000810 0.001289 0.001048 -0.001822 -0.001893 0.002640 34O 1f+1 0.000419 -0.003427 -0.000233 -0.006432 -0.007023 0.006051 34O 1f-1 0.000615 0.001405 -0.001245 0.000436 0.002553 -0.000207 34O 1f+2 -0.000024 -0.000459 -0.002201 -0.002139 -0.000623 0.003056 34O 1f-2 -0.000333 0.000768 -0.000217 0.003476 0.000735 0.000899 34O 1f+3 0.003522 0.000671 -0.000637 -0.007430 -0.004599 0.004632 34O 1f-3 0.000784 -0.002542 0.002710 0.004878 0.006136 -0.006442 35O 1s 0.001062 -0.000297 0.002290 0.002423 -0.002712 0.001112 35O 2s 0.001575 -0.000855 0.005293 0.005559 -0.005644 0.003751 35O 3s 0.014892 0.000777 -0.001744 0.018709 -0.021638 -0.012446 35O 4s -0.089492 -0.013095 -0.179600 -0.190526 0.182122 -0.004137 35O 5s 0.205726 0.381693 0.748357 -0.965182 0.676410 -0.254333 35O 1pz 0.030217 0.016036 0.006331 0.021807 0.006002 -0.016067 35O 1px 0.009441 0.018846 0.020431 -0.049305 0.044362 -0.009583 35O 1py 0.004009 -0.010342 -0.002384 -0.020520 0.010075 -0.007062 35O 2pz 0.040625 0.022364 0.056854 -0.000926 -0.014543 -0.019838 35O 2px 0.049256 0.035689 0.085720 -0.165780 0.196041 -0.077412 35O 2py 0.039476 0.030561 0.061060 -0.059115 0.057337 -0.039817 35O 3pz -0.433436 0.018514 -0.517665 -0.673889 0.043607 -0.410277 35O 3px -0.626063 0.176234 -0.320812 -0.321737 -0.043732 0.164435 35O 3py -0.368372 -0.244522 -0.291803 -0.516244 0.087206 -0.240976 35O 1dz2 -0.002290 0.000066 -0.000219 -0.002096 -0.001292 -0.001603 35O 1dxz 0.003585 -0.002585 -0.000244 0.002249 0.000981 -0.000498 35O 1dyz 0.000933 -0.001165 -0.000846 0.000015 -0.002473 -0.001725 35O 1dx2y2 0.002063 -0.002274 0.000510 0.001678 -0.001057 0.001108 35O 1dxy 0.003261 0.000034 -0.001769 0.003043 -0.000798 0.000362 35O 2dz2 0.025787 -0.312145 0.107200 0.151517 -0.055744 0.015985 35O 2dxz -0.019806 -0.052764 -0.008704 -0.215958 0.169165 -0.152277 35O 2dyz 0.011976 0.179713 -0.049817 0.062481 -0.020425 0.040584 35O 2dx2y2 -0.011642 -0.083142 0.138837 0.023031 0.052847 0.050540 35O 2dxy -0.019266 -0.129654 -0.033885 -0.133576 0.113610 -0.048625 35O 1f0 -0.001801 0.000722 -0.000986 0.001789 -0.004618 0.003164 35O 1f+1 0.000596 -0.002423 -0.001954 0.008461 -0.006205 0.007073 35O 1f-1 0.001407 -0.001325 -0.001068 0.001553 -0.000677 -0.002429 35O 1f+2 0.001751 -0.001839 -0.001440 -0.003365 0.003225 -0.003528 35O 1f-2 0.001504 0.000402 0.000290 0.000200 0.002960 -0.001377 35O 1f+3 0.001092 0.001584 -0.002052 0.002463 -0.001881 0.000077 35O 1f-3 -0.000818 0.000308 -0.001773 0.008935 -0.008433 0.007675 348 349 350 351 352 353 1.74467 1.75371 1.79227 1.79401 1.80437 1.81082 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s 0.000041 0.001478 -0.000408 0.005668 -0.001510 -0.002231 0Rh 2s 0.003414 -0.006234 0.001611 -0.021872 0.002021 0.008872 0Rh 3s 0.002327 0.004863 -0.001409 0.019899 -0.007630 -0.007676 0Rh 4s -0.017820 0.030315 -0.007862 0.105644 -0.008619 -0.043084 0Rh 5s 0.054447 -0.033390 0.008356 -0.092118 -0.029638 0.041834 0Rh 6s -0.134554 -0.055223 0.015096 -0.325440 0.199950 0.109853 0Rh 7s 1.377329 0.060510 -0.078439 2.695741 -1.583909 -0.630623 0Rh 8s -0.494591 -0.258172 -0.006749 -0.144487 0.313305 0.294984 0Rh 1pz -0.006854 -0.005972 -0.003765 -0.013223 0.011499 -0.006798 0Rh 1px 0.018922 0.000557 0.003523 0.017264 -0.011788 -0.017876 0Rh 1py 0.009847 0.005207 -0.012586 0.003422 -0.006576 0.008336 0Rh 2pz 0.022139 0.019623 0.012669 0.045716 -0.038452 0.023214 0Rh 2px -0.062105 -0.001340 -0.011986 -0.060523 0.038536 0.061388 0Rh 2py -0.032842 -0.017685 0.042271 -0.011954 0.022065 -0.028466 0Rh 3pz 0.021722 0.011231 0.000819 -0.021375 -0.008330 -0.004935 0Rh 3px -0.040171 -0.011703 0.001716 0.045597 0.030089 -0.019523 0Rh 3py -0.009075 0.001981 0.004046 0.007837 0.003937 0.006043 0Rh 4pz -0.221954 -0.160162 -0.077369 -0.191088 0.261310 -0.120039 0Rh 4px 0.545871 0.055822 0.065297 0.183087 -0.367280 -0.296142 0Rh 4py 0.234534 0.098434 -0.260365 0.042740 -0.151374 0.147638 0Rh 5pz 0.386697 0.258338 0.112634 0.264578 -0.407001 0.188373 0Rh 5px -0.956159 -0.099129 -0.099438 -0.189833 0.674619 0.445131 0Rh 5py -0.371749 -0.149439 0.371325 -0.060641 0.244572 -0.232835 0Rh 6pz -1.182609 -0.774902 -0.400354 0.839632 1.363072 -0.455961 0Rh 6px 1.390423 0.428999 0.185167 -3.350237 -1.175099 0.074743 0Rh 6py 0.067918 0.021631 -1.629832 -0.427260 0.001025 0.547545 0Rh 1dz2 0.011795 -0.001388 0.002132 -0.003721 -0.018550 0.000873 0Rh 1dxz 0.007246 -0.013389 0.000060 -0.000897 -0.015408 0.012936 0Rh 1dyz 0.005869 0.004715 0.008389 0.000042 0.005170 0.002443 0Rh 1dx2y2 -0.017318 0.014328 -0.004987 0.006628 0.007313 -0.009914 0Rh 1dxy -0.007232 0.001915 0.001337 0.004281 0.003520 -0.007393 0Rh 2dz2 -0.001362 0.000174 -0.000614 -0.000089 0.002607 -0.001033 0Rh 2dxz -0.001406 0.003641 -0.000453 -0.000002 0.005180 -0.002180 0Rh 2dyz -0.001835 -0.003170 -0.002076 -0.000055 -0.001533 0.000403 0Rh 2dx2y2 0.001480 -0.004474 0.001076 -0.000117 -0.002513 0.003563 0Rh 2dxy 0.000847 -0.002596 -0.003890 -0.000288 -0.000853 0.001496 0Rh 3dz2 -0.022704 0.002713 -0.002384 0.009555 0.034186 0.002242 0Rh 3dxz -0.011815 0.016570 0.001678 0.002490 0.015640 -0.021926 0Rh 3dyz -0.006270 0.002714 -0.011052 0.000213 -0.005902 -0.007661 0Rh 3dx2y2 0.035742 -0.015051 0.007711 -0.015921 -0.007078 0.008840 0Rh 3dxy 0.014103 0.006771 0.013347 -0.009349 -0.004919 0.011317 0Rh 4dz2 -0.025165 -0.000795 -0.012456 -0.001067 0.046595 -0.012554 0Rh 4dxz -0.016919 0.062095 -0.003441 -0.005706 0.075362 -0.043901 0Rh 4dyz -0.028645 -0.058119 -0.041903 -0.002184 -0.026911 0.002199 0Rh 4dx2y2 0.026348 -0.076089 0.014311 0.000033 -0.036659 0.054066 0Rh 4dxy 0.011612 -0.040842 -0.050262 -0.003973 -0.013556 0.030632 0Rh 5dz2 0.086961 0.100579 0.077740 0.001270 -0.172903 0.018104 0Rh 5dxz 0.001456 -0.268914 -0.011605 0.061988 -0.253814 0.237438 0Rh 5dyz 0.106736 0.456396 0.244869 0.019831 0.127626 0.015982 0Rh 5dx2y2 -0.054874 0.345350 -0.020614 -0.013333 0.132810 -0.183347 0Rh 5dxy 0.010870 0.226942 0.160447 0.011781 0.052592 -0.183345 0Rh 1f0 0.013524 0.007815 -0.081231 -0.009047 -0.042379 0.030554 0Rh 1f+1 -0.008532 0.006498 -0.028839 -0.004512 0.016756 -0.022740 0Rh 1f-1 0.018216 -0.051946 -0.151068 -0.030393 0.048400 0.004830 0Rh 1f+2 0.051582 0.014127 -0.012163 0.034098 -0.137166 0.078683 0Rh 1f-2 0.050754 0.064708 -0.131244 -0.001296 -0.004493 0.029777 0Rh 1f+3 -0.018917 -0.049816 0.049148 0.004428 0.022254 -0.035203 0Rh 1f-3 0.011026 -0.015045 -0.067879 -0.013456 -0.006459 0.054545 1Rh 1s -0.000470 -0.001458 -0.000309 -0.005582 -0.001837 0.002259 1Rh 2s 0.005552 0.005969 0.001223 0.021804 0.003294 -0.008915 1Rh 3s 0.000634 -0.004907 -0.001070 -0.019435 -0.008776 0.007814 1Rh 4s -0.028218 -0.028952 -0.005984 -0.105398 -0.014777 0.043275 1Rh 5s 0.065931 0.029958 0.006613 0.094524 -0.024132 -0.041378 1Rh 6s -0.116392 0.062312 0.009823 0.312415 0.218214 -0.113311 1Rh 7s 1.395297 -0.149364 -0.036974 -2.590142 -1.735793 0.654010 1Rh 8s -0.402246 0.286960 -0.007575 0.120989 0.332072 -0.298334 1Rh 1pz 0.005707 -0.006172 0.003895 -0.012279 -0.012029 -0.006864 1Rh 1px -0.018366 0.001610 -0.003719 0.016430 0.012930 -0.018154 1Rh 1py -0.009990 0.006516 0.012218 0.002965 0.006933 0.008398 1Rh 2pz -0.018391 0.020232 -0.013111 0.042563 0.040302 0.023436 1Rh 2px 0.060613 -0.004772 0.012674 -0.057788 -0.042541 0.062307 1Rh 2py 0.033365 -0.022072 -0.041006 -0.010418 -0.023307 -0.028681 1Rh 3pz -0.019021 0.012625 -0.000755 -0.022118 0.007092 -0.004879 1Rh 3px 0.032034 -0.014467 -0.002249 0.047533 -0.027100 -0.019056 1Rh 3py 0.008124 0.001197 -0.004446 0.008122 -0.003226 0.006134 1Rh 4pz 0.188723 -0.169607 0.079724 -0.169468 -0.267563 -0.121893 1Rh 4px -0.504452 0.088296 -0.067321 0.157948 0.379536 -0.303795 1Rh 4py -0.233625 0.128100 0.254301 0.031997 0.156222 0.148424 1Rh 5pz -0.331530 0.275973 -0.115971 0.231130 0.414511 0.192259 1Rh 5px 0.883394 -0.156813 0.101217 -0.144331 -0.687485 0.458388 1Rh 5py 0.368625 -0.196146 -0.362133 -0.042641 -0.252257 -0.233453 1Rh 6pz 1.021614 -0.841580 0.400078 0.945709 -1.298447 -0.446383 1Rh 6px -1.069814 0.511645 -0.132845 -3.413178 0.968453 0.058764 1Rh 6py -0.036512 0.029641 1.629340 -0.417070 -0.004321 0.564477 1Rh 1dz2 0.014747 0.000624 0.002049 0.004703 -0.018335 -0.000895 1Rh 1dxz 0.010829 0.013046 -0.000256 0.001772 -0.015118 -0.012799 1Rh 1dyz 0.006330 -0.005100 0.008273 0.000040 0.005167 -0.002169 1Rh 1dx2y2 -0.022951 -0.013194 -0.004888 -0.007445 0.006772 0.009560 1Rh 1dxy -0.008768 -0.001075 0.001197 -0.004613 0.003074 0.007310 1Rh 2dz2 -0.002235 -0.000099 -0.000575 -0.000031 0.002614 0.001038 1Rh 2dxz -0.002657 -0.003597 -0.000414 -0.000336 0.005143 0.002084 1Rh 2dyz -0.002012 0.003286 -0.002029 0.000014 -0.001490 -0.000492 1Rh 2dx2y2 0.003276 0.004359 0.001068 0.000294 -0.002430 -0.003493 1Rh 2dxy 0.001472 0.002500 -0.003877 0.000292 -0.000781 -0.001525 1Rh 3dz2 -0.026007 -0.001182 -0.002351 -0.011428 0.033622 -0.002203 1Rh 3dxz -0.015029 -0.015913 0.002289 -0.003194 0.015080 0.022002 1Rh 3dyz -0.006610 -0.002279 -0.010973 -0.000232 -0.006102 0.007384 1Rh 3dx2y2 0.041493 0.012787 0.007504 0.017153 -0.006116 -0.008273 1Rh 3dxy 0.015075 -0.008410 0.013625 0.010144 -0.004126 -0.010990 1Rh 4dz2 -0.040120 0.002270 -0.011889 -0.001303 0.046806 0.012590 1Rh 4dxz -0.037355 -0.061650 -0.002816 0.001010 0.074915 0.042572 1Rh 4dyz -0.031559 0.059896 -0.041200 0.001560 -0.025729 -0.003758 1Rh 4dx2y2 0.056531 0.074069 0.014173 0.002755 -0.035252 -0.052965 1Rh 4dxy 0.021819 0.039333 -0.049821 0.004186 -0.012429 -0.030973 1Rh 5dz2 0.150925 -0.105991 0.075585 0.009128 -0.176549 -0.017836 1Rh 5dxz 0.083898 0.270341 -0.013654 -0.047976 -0.252446 -0.232428 1Rh 5dyz 0.118885 -0.462504 0.242205 -0.016994 0.112546 -0.008121 1Rh 5dx2y2 -0.181360 -0.339602 -0.019773 0.003473 0.124499 0.179841 1Rh 5dxy -0.030543 -0.226098 0.156831 -0.011822 0.046608 0.184752 1Rh 1f0 -0.011159 0.010558 0.079837 -0.010640 0.041704 0.032025 1Rh 1f+1 0.004077 0.007073 0.029438 -0.002238 -0.016831 -0.021896 1Rh 1f-1 -0.023860 -0.045936 0.149886 -0.024575 -0.049192 0.006485 1Rh 1f+2 -0.053272 0.018297 0.011028 0.023824 0.137454 0.077605 1Rh 1f-2 -0.053422 0.070936 0.131923 -0.002120 0.004123 0.030966 1Rh 1f+3 0.012572 -0.050629 -0.048857 0.006905 -0.021898 -0.036022 1Rh 1f-3 -0.013728 -0.012962 0.066356 -0.013417 0.005638 0.055036 2C 1s -0.004048 0.003919 0.007922 -0.012118 -0.015034 -0.005491 2C 2s -0.018694 0.015967 0.027920 -0.041150 -0.050733 -0.019687 2C 3s 0.305055 -0.205712 -0.378539 0.499637 0.605340 0.256661 2C 4s -1.157968 0.558706 1.188664 -1.433616 -1.640911 -0.759605 2C 5s -0.914171 0.730676 0.522363 0.347795 -0.183748 -0.278854 2C 1pz 0.116656 -0.056012 0.049664 0.095951 0.178978 0.115122 2C 1px 0.031781 0.033122 0.088430 -0.002409 -0.050692 0.004448 2C 1py 0.118425 -0.046743 -0.052409 0.027372 -0.096258 0.006972 2C 2pz -0.918145 0.319963 0.126281 -0.602224 -0.757713 -0.531334 2C 2px -0.179964 0.061823 -0.115556 0.078907 0.019071 -0.039158 2C 2py -0.776936 0.283303 0.429487 -0.231206 0.177179 -0.147290 2C 3pz -0.263805 0.133040 0.229045 -0.084054 -0.173268 -0.092572 2C 3px -0.003886 0.246547 0.284709 -0.156887 -0.256497 -0.084834 2C 3py -0.112129 0.112294 0.083267 -0.100384 -0.214108 -0.115568 2C 1dz2 0.009649 -0.002517 0.008007 0.001913 -0.016835 0.002173 2C 1dxz 0.002641 -0.004904 -0.021273 0.008733 0.027154 -0.000811 2C 1dyz 0.011697 -0.006175 -0.012315 0.005283 0.009964 0.003583 2C 1dx2y2 -0.012857 -0.001395 0.010428 0.003125 0.015465 0.004226 2C 1dxy 0.004720 -0.007616 -0.036788 0.000590 -0.006915 -0.006521 2C 2dz2 -0.292659 0.062149 0.061564 -0.191496 -0.131270 -0.141140 2C 2dxz -0.181475 0.151955 0.152567 -0.007779 -0.054554 -0.051144 2C 2dyz -0.440239 0.146785 0.134322 -0.225618 -0.153164 -0.174713 2C 2dx2y2 0.123477 -0.049329 -0.049203 0.091070 0.120139 0.067248 2C 2dxy -0.053717 0.086710 0.000157 -0.022149 -0.186250 -0.051849 2C 1f0 -0.002608 -0.005021 0.028356 0.002553 0.025373 0.014231 2C 1f+1 0.005186 0.002147 -0.015838 -0.000480 -0.029933 -0.009359 2C 1f-1 0.011098 0.000677 0.020473 -0.010094 -0.031522 -0.003708 2C 1f+2 -0.013737 0.005952 -0.017608 0.009295 0.006115 -0.002035 2C 1f-2 0.006582 0.001867 0.017699 0.002638 0.009169 0.008495 2C 1f+3 -0.016963 0.009955 0.002506 0.018827 0.039976 0.007081 2C 1f-3 0.002458 0.001548 -0.009467 0.005758 0.003712 -0.000959 3C 1s -0.004037 -0.008643 -0.011624 -0.010232 -0.014145 -0.029046 3C 2s -0.018440 -0.028377 -0.041655 -0.035082 -0.046292 -0.102173 3C 3s 0.328767 0.331733 0.574355 0.441771 0.556556 1.291627 3C 4s -1.237039 -0.902191 -1.821722 -1.292191 -1.528444 -3.784910 3C 5s 0.120338 0.252317 -0.483963 0.321879 1.174669 -0.216708 3C 1pz 0.082959 0.012857 0.040704 0.025452 0.094924 0.150527 3C 1px 0.056078 -0.008855 -0.152650 -0.019107 0.026329 0.130224 3C 1py -0.095657 -0.025178 -0.091239 -0.068920 -0.009988 -0.359641 3C 2pz -0.606012 -0.072057 -0.383911 -0.261492 -0.349562 -0.923581 3C 2px -0.436922 -0.163529 0.242791 0.091077 -0.226584 -0.739603 3C 2py 0.850949 0.164877 0.803379 0.518246 0.179539 1.922271 3C 3pz 0.050893 0.019552 -0.053187 -0.001499 0.144270 -0.183814 3C 3px -0.024187 -0.097203 -0.392871 -0.155348 -0.099819 -0.211975 3C 3py 0.001683 0.022850 0.218035 0.080623 -0.027928 0.457589 3C 1dz2 -0.003000 -0.005471 -0.008686 -0.002833 -0.019622 0.001906 3C 1dxz 0.008735 0.010275 -0.006391 -0.000931 0.010304 -0.001958 3C 1dyz -0.014365 0.005755 -0.004308 0.000490 0.009911 -0.002534 3C 1dx2y2 -0.011113 0.008837 -0.002578 -0.004109 0.012213 -0.015741 3C 1dxy -0.003742 -0.015652 -0.038592 -0.014281 -0.007122 -0.002035 3C 2dz2 0.087272 0.042686 0.113822 0.042001 -0.000808 0.196645 3C 2dxz -0.130321 -0.084594 -0.253901 -0.068798 -0.042685 -0.261644 3C 2dyz 0.345774 0.026975 0.210281 0.206367 0.127817 0.750756 3C 2dx2y2 0.291873 0.002012 0.179388 0.165558 0.094003 0.500226 3C 2dxy 0.299944 0.131302 0.185770 0.044021 0.141486 0.468695 3C 1f0 0.012311 0.001537 -0.009220 -0.011933 0.011002 -0.016999 3C 1f+1 -0.003537 -0.003030 0.019803 0.007023 -0.011356 -0.012551 3C 1f-1 -0.005191 -0.004302 0.017611 0.009336 -0.007278 0.003278 3C 1f+2 -0.012383 0.011168 0.039504 0.024790 0.026250 -0.012126 3C 1f-2 0.003921 0.010368 0.003538 0.003026 0.027242 0.007306 3C 1f+3 -0.001425 -0.007645 -0.032490 -0.006462 0.000726 -0.018946 3C 1f-3 0.003481 0.005413 -0.011377 0.003370 0.011003 0.008305 4C 1s -0.006836 0.001995 -0.007054 0.001126 0.009055 -0.000182 4C 2s -0.023702 0.006115 -0.022738 0.004379 0.031612 0.000170 4C 3s 0.062454 0.085960 0.274962 -0.251901 -0.591143 -0.147254 4C 4s 0.273670 -0.641468 -0.739024 1.250885 2.382095 0.848293 4C 5s 0.423199 -0.826763 -0.021182 0.181043 0.160114 0.430828 4C 1pz -0.018780 0.002261 -0.147847 0.117090 0.069976 0.022804 4C 1px 0.008975 -0.087511 0.171758 -0.271490 -0.128367 0.077458 4C 1py -0.014643 -0.044914 0.007214 -0.041470 0.036990 -0.038778 4C 2pz -0.653462 -0.058739 0.947478 -1.168768 -0.422715 -0.220382 4C 2px -0.357538 1.022828 -1.309460 2.495943 0.716758 -0.322326 4C 2py -0.509585 0.373503 -0.023399 0.242675 -0.122588 -0.150932 4C 3pz -0.629291 0.529387 1.121610 -0.503098 -1.150163 -0.361616 4C 3px -0.524600 -0.348232 -0.843417 0.250362 0.511485 -0.082550 4C 3py -0.524447 0.201690 0.374743 -0.186021 -0.581555 -0.213463 4C 1dz2 0.012191 -0.005179 -0.009434 -0.004595 -0.013330 -0.014132 4C 1dxz 0.012072 -0.001991 -0.003722 -0.002507 0.013602 -0.001955 4C 1dyz 0.005391 -0.006070 -0.009174 0.002345 0.000729 0.005827 4C 1dx2y2 -0.016885 0.008269 0.009474 0.004335 0.034616 0.000677 4C 1dxy 0.004102 0.002060 -0.028206 -0.002120 -0.010726 -0.007548 4C 2dz2 0.358728 -0.325644 0.008425 -0.355025 0.022964 0.083465 4C 2dxz 0.232604 0.514084 -0.236272 0.759931 -0.180518 -0.056023 4C 2dyz 0.431076 -0.133378 -0.160567 0.163679 0.064568 0.140323 4C 2dx2y2 -0.254116 -0.019871 -0.050890 0.051532 0.047940 -0.043155 4C 2dxy -0.047793 0.313095 -0.028933 0.685069 0.292295 0.057141 4C 1f0 -0.008605 0.005075 -0.011426 0.001283 -0.030160 -0.017845 4C 1f+1 -0.008668 0.006021 0.009509 -0.017271 -0.021953 -0.015383 4C 1f-1 -0.037321 0.010088 0.011589 -0.032082 -0.026264 -0.023538 4C 1f+2 0.024693 -0.024306 0.014041 -0.000096 0.013898 0.008172 4C 1f-2 -0.019968 0.013110 -0.004065 -0.014470 -0.013126 0.000376 4C 1f+3 0.001070 -0.012317 0.011825 -0.027505 -0.029565 -0.016903 4C 1f-3 0.007324 -0.002888 0.017065 -0.020935 -0.014719 0.004951 5C 1s 0.000165 0.007149 0.007572 0.003514 0.009494 0.004502 5C 2s -0.000915 0.023124 0.024489 0.012177 0.033385 0.017143 5C 3s -0.152249 -0.310367 -0.429446 -0.306933 -0.518043 -0.940393 5C 4s 0.709020 1.000790 1.602454 1.293360 1.980344 4.755927 5C 5s 0.617612 -0.102353 0.178084 0.023479 -0.038592 0.769810 5C 1pz -0.019785 0.010473 0.125742 0.133229 0.071684 -0.000049 5C 1px 0.084190 -0.001923 -0.154416 -0.288087 -0.064315 0.115762 5C 1py 0.003377 -0.028145 -0.113806 -0.067340 -0.110637 0.036694 5C 2pz -0.152400 0.058578 -0.891652 -1.154043 -0.386210 -0.275931 5C 2px -1.322630 -0.483777 1.088401 2.728568 0.423875 -1.402461 5C 2py 0.618345 0.067910 0.915187 0.809833 0.519297 0.648005 5C 3pz 0.313272 -0.336814 -0.849403 -0.328183 -0.014829 -0.755676 5C 3px -0.123588 0.572549 0.559620 0.371997 0.509910 -1.044853 5C 3py -0.342745 0.298695 1.109104 0.362435 -0.038378 1.518233 5C 1dz2 0.001151 -0.006886 0.006230 -0.000373 -0.008756 -0.006583 5C 1dxz 0.008045 -0.001705 -0.013047 -0.007948 0.003826 -0.013133 5C 1dyz -0.009943 -0.000327 -0.010109 -0.003588 -0.000816 0.009195 5C 1dx2y2 -0.017877 0.011615 -0.000521 0.000690 0.030812 0.018751 5C 1dxy -0.011175 -0.000652 -0.034255 -0.002824 0.014119 0.001757 5C 2dz2 0.077070 0.104584 -0.200104 -0.396346 -0.102610 -0.222381 5C 2dxz -0.059899 -0.210186 0.284716 0.471503 -0.183947 -0.066842 5C 2dyz -0.469086 -0.255166 -0.162576 0.200484 -0.098333 -0.782712 5C 2dx2y2 -0.478816 -0.250960 0.007217 0.465220 0.134752 -0.315654 5C 2dxy 0.027285 0.352973 -0.206702 -0.878046 -0.013636 0.002562 5C 1f0 0.005864 0.003009 0.028875 0.031147 0.003916 0.042223 5C 1f+1 0.016756 0.008398 -0.027888 -0.030577 -0.013376 -0.009463 5C 1f-1 0.000560 -0.002367 -0.000734 0.003036 0.009448 0.000562 5C 1f+2 0.037889 0.007096 0.003141 0.001884 0.020743 0.090486 5C 1f-2 0.029906 0.014155 0.007910 0.002096 0.014058 0.085810 5C 1f+3 -0.008899 -0.003527 -0.024676 -0.037411 -0.017585 -0.058371 5C 1f-3 0.008927 0.009522 0.003134 -0.003336 -0.007262 0.044085 6C 1s -0.000135 -0.007194 0.007750 -0.003907 0.009246 -0.004473 6C 2s -0.001912 -0.023173 0.025108 -0.013594 0.032505 -0.017092 6C 3s -0.119784 0.330360 -0.450213 0.324946 -0.482472 0.935841 6C 4s 0.561991 -1.097684 1.697225 -1.357541 1.814119 -4.734424 6C 5s 0.582276 0.048764 0.190897 -0.007963 -0.070913 -0.764046 6C 1pz 0.028385 0.007015 -0.127967 0.136719 -0.067396 -0.001373 6C 1px -0.093304 0.007876 0.156649 -0.294120 0.051931 0.117879 6C 1py -0.007523 -0.026565 0.113930 -0.072420 0.108843 0.037245 6C 2pz 0.124922 0.056772 0.910290 -1.168608 0.340936 -0.260942 6C 2px 1.333091 -0.619436 -1.091676 2.787010 -0.349549 -1.423199 6C 2py -0.593767 0.112627 -0.933586 0.817823 -0.479651 0.634960 6C 3pz -0.356451 -0.334347 0.863367 -0.326081 -0.027832 -0.733466 6C 3px 0.135183 0.552106 -0.539915 0.406572 -0.495480 -1.038856 6C 3py 0.400580 0.310743 -1.137135 0.348840 0.099430 1.479955 6C 1dz2 0.001923 0.006895 0.006069 0.001242 -0.009163 0.006865 6C 1dxz 0.007355 0.000832 -0.013272 0.007486 0.004304 0.013259 6C 1dyz -0.010315 0.001196 -0.010067 0.003321 -0.000598 -0.009651 6C 1dx2y2 -0.018727 -0.010342 -0.000142 -0.002550 0.030568 -0.019236 6C 1dxy -0.009579 0.001174 -0.034400 0.001559 0.014481 -0.002122 6C 2dz2 0.083433 -0.114705 -0.207356 0.401378 -0.085691 0.217551 6C 2dxz -0.051873 0.225905 0.289146 -0.460128 -0.192708 0.075280 6C 2dyz -0.446812 0.302285 -0.175139 -0.208126 -0.080022 0.781384 6C 2dx2y2 -0.473684 0.296602 0.007196 -0.482439 0.128898 0.315896 6C 2dxy 0.020302 -0.364126 -0.214555 0.883123 0.004802 -0.013014 6C 1f0 -0.004797 0.003640 -0.029805 0.031120 -0.002179 0.041753 6C 1f+1 -0.017904 0.009695 0.027856 -0.031145 0.012359 -0.008634 6C 1f-1 -0.000214 -0.002136 0.000901 0.003536 -0.009574 0.000598 6C 1f+2 -0.036193 0.011089 -0.004671 0.001806 -0.018327 0.090207 6C 1f-2 -0.028177 0.017311 -0.009863 0.001752 -0.011058 0.085510 6C 1f+3 0.006987 -0.004708 0.025773 -0.038262 0.014937 -0.057884 6C 1f-3 -0.007401 0.010788 -0.004060 -0.003741 0.008492 0.044035 7C 1s -0.007912 -0.001607 -0.007151 -0.001840 0.009138 -0.000057 7C 2s -0.027193 -0.004774 -0.023071 -0.006836 0.031883 -0.000997 7C 3s 0.113329 -0.077339 0.283183 0.286897 -0.598080 0.160270 7C 4s 0.102190 0.564102 -0.775634 -1.372643 2.413440 -0.896949 7C 5s 0.455526 0.794970 -0.030519 -0.174343 0.161516 -0.427256 7C 1pz 0.025946 0.002048 0.146437 0.125899 -0.061272 0.027935 7C 1px -0.018559 -0.091020 -0.165214 -0.281627 0.108048 0.077402 7C 1py 0.012847 -0.046782 -0.003837 -0.038348 -0.043704 -0.036348 7C 2pz 0.621760 -0.123575 -0.932001 -1.208139 0.346866 -0.246815 7C 2px 0.369053 1.040046 1.234689 2.565922 -0.496622 -0.333826 7C 2py 0.500070 0.343344 0.000845 0.238377 0.168408 -0.170367 7C 3pz 0.604298 0.500504 -1.120605 -0.567693 1.147987 -0.404229 7C 3px 0.551043 -0.379728 0.822874 0.308747 -0.485257 -0.070656 7C 3py 0.525917 0.177089 -0.384056 -0.208981 0.593702 -0.236924 7C 1dz2 0.013843 0.004163 -0.009623 0.005557 -0.012983 0.014324 7C 1dxz 0.011394 0.000849 -0.003532 0.001897 0.014090 0.001896 7C 1dyz 0.005146 0.005768 -0.008973 -0.002695 0.000378 -0.006258 7C 1dx2y2 -0.018171 -0.007288 0.009598 -0.006145 0.035027 -0.000813 7C 1dxy 0.002422 -0.002761 -0.028789 0.002071 -0.010103 0.006898 7C 2dz2 0.341989 0.308087 -0.004728 0.357608 0.065790 -0.093904 7C 2dxz 0.246899 -0.540293 -0.217799 -0.750222 -0.254110 0.064372 7C 2dyz 0.415948 0.097819 -0.165762 -0.164188 0.071745 -0.149269 7C 2dx2y2 -0.257984 0.027612 -0.052455 -0.054951 0.044435 0.046347 7C 2dxy -0.042572 -0.322839 -0.014239 -0.700660 0.235459 -0.050276 7C 1f0 0.007378 0.004206 0.011317 0.000975 0.030899 -0.017685 7C 1f+1 0.007352 0.004391 -0.009765 -0.018128 0.021429 -0.015152 7C 1f-1 0.034840 0.006013 -0.011738 -0.033043 0.026086 -0.024047 7C 1f+2 -0.023456 -0.022237 -0.012771 -0.000134 -0.016602 0.008763 7C 1f-2 0.019526 0.011238 0.003602 -0.014457 0.013547 0.000217 7C 1f+3 -0.001328 -0.012726 -0.010554 -0.029103 0.026589 -0.016916 7C 1f-3 -0.007823 -0.002997 -0.016418 -0.022228 0.013023 0.004679 8C 1s -0.003036 0.009228 -0.012313 0.010812 -0.013173 0.028910 8C 2s -0.014899 0.030782 -0.044046 0.036828 -0.042818 0.101618 8C 3s 0.286378 -0.367989 0.603829 -0.459413 0.512701 -1.283578 8C 4s -1.123091 1.024749 -1.905875 1.330463 -1.402409 3.757864 8C 5s 0.155456 -0.230404 -0.480606 -0.394268 1.191104 0.180824 8C 1pz -0.079983 0.021597 -0.040212 0.027735 -0.092302 0.149647 8C 1px -0.054521 -0.000976 0.150160 -0.016777 -0.024015 0.131745 8C 1py 0.089795 -0.034621 0.099134 -0.065603 -0.001519 -0.358379 8C 2pz 0.587734 -0.127996 0.391025 -0.262179 0.326805 -0.913733 8C 2px 0.412120 -0.213997 -0.228869 0.082553 0.207865 -0.742582 8C 2py -0.810180 0.240125 -0.845629 0.498742 -0.114078 1.906950 8C 3pz -0.059105 0.018967 0.060286 0.007030 -0.150626 -0.178947 8C 3px 0.024544 -0.102625 0.399017 -0.156002 0.085363 -0.208478 8C 3py 0.018083 0.032462 -0.224517 0.076127 0.044595 0.446712 8C 1dz2 -0.001861 0.005899 -0.008827 0.003717 -0.019190 -0.002113 8C 1dxz 0.007523 -0.011543 -0.006456 -0.000041 0.010110 0.001769 8C 1dyz -0.015077 -0.004787 -0.004194 -0.001354 0.009546 0.002151 8C 1dx2y2 -0.012009 -0.007999 -0.003101 0.002930 0.012545 0.015262 8C 1dxy -0.001079 0.015882 -0.038933 0.014476 -0.005692 0.001843 8C 2dz2 0.080749 -0.049974 0.117429 -0.038414 -0.009120 -0.196001 8C 2dxz -0.120212 0.094363 -0.258777 0.064504 -0.031076 0.258906 8C 2dyz 0.331963 -0.058701 0.224997 -0.203003 0.104833 -0.745722 8C 2dx2y2 0.282460 -0.028166 0.189210 -0.162842 0.079532 -0.495447 8C 2dxy 0.284953 -0.160637 0.194449 -0.043622 0.125894 -0.465500 8C 1f0 -0.012281 0.002708 0.009773 -0.011248 -0.012184 -0.017016 8C 1f+1 0.003374 -0.003746 -0.019677 0.006374 0.011078 -0.012841 8C 1f-1 0.005560 -0.004923 -0.018017 0.008651 0.008281 0.003018 8C 1f+2 0.013203 0.009489 -0.039649 0.026181 -0.025858 -0.012293 8C 1f-2 -0.003307 0.010843 -0.004138 0.004501 -0.027321 0.007423 8C 1f+3 0.001159 -0.007170 0.032821 -0.005487 -0.001679 -0.018807 8C 1f-3 -0.002358 0.006171 0.011230 0.004303 -0.010791 0.008529 9C 1s -0.002803 -0.003184 0.008085 0.013103 -0.014961 0.005895 9C 2s -0.014542 -0.013127 0.028515 0.044392 -0.050578 0.021113 9C 3s 0.255632 0.166455 -0.386743 -0.538023 0.604206 -0.276106 9C 4s -1.022198 -0.430894 1.214022 1.537333 -1.638232 0.821959 9C 5s -0.964357 -0.720612 0.526230 -0.361550 -0.208566 0.298829 9C 1pz -0.111907 -0.046803 -0.048873 0.100908 -0.178994 0.116465 9C 1px -0.027617 0.037610 -0.091170 -0.007745 0.043655 0.002636 9C 1py -0.117193 -0.035090 0.055119 0.022171 0.094795 0.008429 9C 2pz 0.884758 0.247603 -0.133586 -0.627111 0.756306 -0.551019 9C 2px 0.148519 0.041323 0.121668 0.084410 0.019115 -0.042288 9C 2py 0.756240 0.215559 -0.444803 -0.222734 -0.166831 -0.164743 9C 3pz 0.261485 0.114389 -0.229872 -0.088170 0.173542 -0.099364 9C 3px 0.015665 0.245328 -0.289035 -0.176422 0.249965 -0.092462 9C 3py 0.112067 0.113012 -0.085586 -0.113916 0.218379 -0.123419 9C 1dz2 0.010761 0.001963 0.007683 -0.000825 -0.016826 -0.002172 9C 1dxz -0.000350 0.004475 -0.020403 -0.010770 0.027344 -0.000022 9C 1dyz 0.011880 0.005360 -0.012418 -0.005846 0.009685 -0.004025 9C 1dx2y2 -0.012656 0.002705 0.010941 -0.003945 0.015112 -0.004230 9C 1dxy 0.002737 0.006865 -0.036791 -0.001363 -0.006594 0.005639 9C 2dz2 -0.281884 -0.035717 0.062261 0.193497 -0.129022 0.145415 9C 2dxz -0.171084 -0.139224 0.157367 0.011472 -0.060458 0.057145 9C 2dyz -0.424845 -0.108229 0.141532 0.230538 -0.157416 0.185528 9C 2dx2y2 0.120535 0.041984 -0.049728 -0.097786 0.119838 -0.072308 9C 2dxy -0.046455 -0.083608 0.000498 0.029936 -0.189294 0.054799 9C 1f0 0.001485 -0.006224 -0.028839 0.003124 -0.025169 0.014122 9C 1f+1 -0.005977 0.002390 0.015807 -0.001245 0.030230 -0.009171 9C 1f-1 -0.012078 0.001716 -0.020200 -0.012484 0.030586 -0.004693 9C 1f+2 0.016306 0.005612 0.018089 0.010890 -0.006246 -0.001431 9C 1f-2 -0.006695 0.002370 -0.018546 0.002169 -0.008702 0.007775 9C 1f+3 0.017641 0.008898 -0.003923 0.020737 -0.038393 0.007193 9C 1f-3 -0.002833 0.001626 0.009629 0.006428 -0.003293 -0.000708 10H 1s 0.018380 -0.015361 0.029422 0.027810 0.020511 0.027027 10H 2s -0.201741 0.109605 -0.046361 -0.029176 -0.066162 -0.103016 10H 3s 0.081727 -0.178838 0.000668 -0.101210 -0.028886 0.053049 10H 1pz -0.048018 0.045976 0.151566 -0.062549 -0.090453 -0.017079 10H 1px 0.012421 0.001188 0.071209 -0.010948 -0.059409 -0.004395 10H 1py -0.038002 0.017419 0.059619 -0.048492 -0.147911 -0.056180 11H 1s 0.010691 -0.011141 0.051554 0.014123 0.075264 0.024524 11H 2s -0.068165 -0.030012 -0.437991 -0.017026 -0.246512 -0.121317 11H 3s -0.002234 0.050458 0.265833 -0.181258 -0.061252 -0.016686 11H 1pz -0.079578 0.030316 -0.022724 -0.045043 -0.043303 -0.057511 11H 1px 0.007368 0.006045 0.019409 0.004588 -0.093925 -0.020403 11H 1py -0.056039 0.030077 0.058288 -0.057851 -0.126681 -0.077677 12H 1s 0.047350 -0.019077 -0.054460 -0.022903 -0.069162 -0.013362 12H 2s -0.314908 0.034487 0.061446 0.145245 0.626744 0.091655 12H 3s 0.143773 -0.012133 -0.084414 -0.232389 -0.403067 -0.107569 12H 1pz -0.055879 0.047916 0.013321 -0.057559 0.003999 0.001392 12H 1px -0.017634 0.003045 0.024592 0.028873 0.040250 0.028044 12H 1py -0.062333 0.026338 0.003045 -0.008289 0.039548 -0.007357 13H 1s 0.004030 -0.022543 0.035270 0.023853 -0.026587 0.030774 13H 2s -0.118481 0.083641 -0.285314 -0.032742 0.179656 -0.022394 13H 3s 0.105219 -0.089294 0.155025 -0.089867 -0.200280 -0.175818 13H 1pz -0.038691 -0.011446 -0.092179 -0.038041 -0.001998 -0.087963 13H 1px -0.013541 -0.046580 -0.085923 -0.025690 -0.067292 -0.111955 13H 1py 0.033127 0.066813 0.168209 0.078305 0.119672 0.116103 14H 1s 0.034894 0.020009 -0.064182 -0.035298 0.037402 0.030395 14H 2s -0.246301 0.097014 0.537184 0.199885 -0.049040 -0.083933 14H 3s 0.047123 -0.076919 -0.315949 -0.197037 -0.149382 -0.315687 14H 1pz -0.052095 -0.014798 0.005292 -0.021655 -0.014977 -0.101073 14H 1px -0.033534 0.013155 0.032907 0.032737 -0.007063 -0.016154 14H 1py 0.071924 -0.002258 0.034004 0.050610 0.074515 0.191059 15H 1s 0.005356 0.003420 0.026716 0.019209 -0.017976 0.083942 15H 2s -0.034947 0.093113 0.038441 -0.010583 0.263511 -0.333312 15H 3s -0.063392 -0.103385 -0.108190 -0.133207 -0.381201 -0.292010 15H 1pz -0.074753 -0.036918 -0.047422 -0.037693 -0.032888 -0.151293 15H 1px -0.005019 -0.065446 -0.138423 -0.026500 -0.013282 -0.045979 15H 1py 0.084098 0.007860 0.019503 0.029092 -0.010232 0.175558 16H 1s -0.059274 0.117374 -0.017209 -0.039804 0.106238 -0.064446 16H 2s 0.345749 -0.275410 0.122201 0.174132 -0.394587 0.165949 16H 3s 0.067295 0.160996 -0.015158 0.078772 0.214570 -0.141988 16H 1pz -0.124011 -0.242570 -0.011482 0.027544 -0.153823 0.080081 16H 1px -0.215081 -0.266209 -0.016166 0.030668 -0.086968 0.032405 16H 1py 0.298077 0.223441 0.026783 0.035483 0.094327 0.013740 17H 1s -0.121492 0.072974 -0.022748 -0.029136 0.104910 -0.034949 17H 2s 0.448112 -0.321200 0.100337 0.061607 -0.406564 0.006712 17H 3s -0.251375 -0.058279 -0.019684 0.117088 0.047939 0.043809 17H 1pz -0.360129 -0.278746 -0.045072 -0.026674 -0.104733 0.017140 17H 1px 0.009454 0.049842 0.001326 0.011655 0.070664 0.035920 17H 1py -0.158450 -0.342074 -0.016761 0.036511 -0.164320 0.065638 18H 1s -0.163176 -0.064139 -0.023201 0.022072 0.106671 0.033816 18H 2s 0.591688 0.289767 0.102083 -0.037851 -0.415436 -0.002080 18H 3s -0.266058 0.076792 -0.018351 -0.121964 0.036342 -0.041109 18H 1pz 0.377155 -0.296792 0.048534 -0.025928 0.099537 0.013285 18H 1px -0.014519 0.054786 -0.004018 0.013826 -0.069604 0.034967 18H 1py 0.119820 -0.360452 0.020182 0.030845 0.167299 0.061249 19H 1s -0.101180 -0.114094 -0.015475 0.032436 0.108137 0.062285 19H 2s 0.475394 0.258995 0.112713 -0.143245 -0.401441 -0.155665 19H 3s 0.052464 -0.168490 -0.012776 -0.090187 0.208795 0.134543 19H 1pz 0.104688 -0.259312 0.013628 0.020002 0.157890 0.076104 19H 1px 0.187959 -0.281844 0.020767 0.029906 0.087616 0.029920 19H 1py -0.320675 0.237540 -0.028184 0.035143 -0.089345 0.017152 20H 1s 0.001987 -0.004554 0.030000 -0.017375 -0.022378 -0.083473 20H 2s -0.034778 -0.090929 0.027062 -0.006576 0.279205 0.333703 20H 3s -0.058523 0.109984 -0.110633 0.152312 -0.375398 0.291854 20H 1pz 0.072556 -0.044078 0.051278 -0.038028 0.028403 -0.150346 20H 1px -0.004181 -0.064525 0.137983 -0.025570 0.008805 -0.044731 20H 1py -0.082770 0.015762 -0.023603 0.026535 0.015926 0.174976 21H 1s 0.031066 -0.025366 -0.064664 0.032173 0.037542 -0.031479 21H 2s -0.250809 -0.065682 0.541569 -0.193563 -0.056928 0.088834 21H 3s 0.045762 0.068575 -0.327663 0.200864 -0.137318 0.315725 21H 1pz 0.051847 -0.019585 -0.003747 -0.021004 0.010943 -0.100254 21H 1px 0.031724 0.008933 -0.032640 0.032488 0.009095 -0.015863 21H 1py -0.071254 0.005389 -0.038926 0.051548 -0.069825 0.189526 22H 1s 0.006860 0.023066 0.034902 -0.020953 -0.027141 -0.029300 22H 2s -0.124876 -0.080067 -0.279104 0.013149 0.180520 0.015797 22H 3s 0.113564 0.083782 0.148084 0.107096 -0.193021 0.178392 22H 1pz 0.035056 -0.014958 0.094710 -0.036775 -0.001677 -0.086725 22H 1px 0.004630 -0.049241 0.088831 -0.028783 0.064476 -0.111348 22H 1py -0.021793 0.070754 -0.169680 0.082555 -0.113808 0.114499 23H 1s 0.043647 0.013741 -0.055506 0.025629 -0.065748 0.012694 23H 2s -0.319846 -0.004727 0.067341 -0.180810 0.610117 -0.094816 23H 3s 0.149499 0.004344 -0.083185 0.258131 -0.395792 0.111056 23H 1pz 0.055166 0.043639 -0.017674 -0.058160 -0.001682 -0.001513 23H 1px 0.015603 0.003050 -0.028836 0.029303 -0.036894 0.026795 23H 1py 0.062249 0.020850 -0.004253 -0.004975 -0.037710 -0.007409 24H 1s 0.007333 0.010579 0.053112 -0.016295 0.078275 -0.024483 24H 2s -0.070616 0.033293 -0.448312 0.014430 -0.257404 0.114836 24H 3s 0.001641 -0.036910 0.272591 0.191121 -0.050573 0.021267 24H 1pz 0.078443 0.023344 0.021686 -0.044602 0.044724 -0.057443 24H 1px -0.012163 0.006271 -0.015558 0.000619 0.091176 -0.021106 24H 1py 0.049360 0.023734 -0.057274 -0.063535 0.125237 -0.080005 25H 1s 0.023872 0.015152 0.028435 -0.027060 0.016179 -0.025959 25H 2s -0.224532 -0.105916 -0.041722 0.024871 -0.049465 0.101672 25H 3s 0.106787 0.185617 -0.006103 0.106257 -0.031158 -0.053388 25H 1pz 0.038721 0.040830 -0.151124 -0.070840 0.088218 -0.022983 25H 1px -0.022032 0.000004 -0.071644 -0.016334 0.060133 -0.007200 25H 1py 0.029597 0.013842 -0.060994 -0.057048 0.148805 -0.059675 26O 1s 0.002107 -0.002049 -0.000112 0.002632 0.003709 0.002665 26O 2s 0.007309 -0.007105 0.003514 0.002340 0.006840 0.007370 26O 3s -0.053721 0.059455 -0.085292 0.108635 0.052531 -0.020902 26O 4s 0.183370 -0.185622 0.368577 -0.606667 -0.426354 -0.038806 26O 5s 0.484237 -0.874374 0.488469 -2.338214 -0.356919 0.170610 26O 1pz -0.033290 -0.016554 -0.031768 -0.006761 0.032949 -0.007561 26O 1px 0.015521 -0.001530 0.008290 -0.005221 -0.018927 0.027012 26O 1py 0.013333 -0.000865 -0.038792 -0.002393 0.024967 0.003262 26O 2pz -0.017074 0.056252 0.036155 0.068263 -0.010509 -0.014390 26O 2px -0.053789 0.273401 -0.207596 0.541908 0.205160 -0.004760 26O 2py -0.027460 0.132631 -0.063946 0.242749 0.036960 -0.031823 26O 3pz -0.279490 -0.586282 -0.692727 -0.128048 0.736954 0.182223 26O 3px -0.688878 0.111220 -0.555042 1.401598 0.783214 -0.076886 26O 3py -0.466545 -0.366279 -0.569360 0.371089 0.715954 0.021395 26O 1dz2 0.002032 -0.003562 0.002393 -0.006178 -0.001447 -0.001344 26O 1dxz -0.003502 -0.001631 -0.000668 0.006554 0.002422 -0.001693 26O 1dyz 0.001124 -0.001334 -0.001725 -0.001896 0.002092 0.003893 26O 1dx2y2 -0.000957 0.002895 -0.001413 0.001822 0.000941 -0.000825 26O 1dxy -0.002232 0.001621 -0.001962 0.005378 0.004835 -0.001003 26O 2dz2 0.023264 0.021161 -0.070240 0.068024 -0.081340 -0.020917 26O 2dxz 0.058095 0.068035 0.156222 0.140056 -0.239405 -0.088207 26O 2dyz -0.005225 0.001122 0.073487 -0.141567 -0.024151 0.088894 26O 2dx2y2 -0.022147 -0.076601 -0.127387 -0.295317 -0.094960 -0.038422 26O 2dxy -0.054713 -0.015316 0.180240 -0.164042 -0.007573 -0.009154 26O 1f0 0.000691 0.000591 0.002592 -0.001633 -0.006752 0.001786 26O 1f+1 0.001692 -0.002896 0.007054 -0.012677 -0.009791 0.001724 26O 1f-1 0.002378 -0.001939 0.003736 0.001663 -0.004478 -0.001578 26O 1f+2 0.000279 -0.001050 -0.006576 -0.001858 0.004040 0.001828 26O 1f-2 0.001376 0.002334 -0.004183 0.005695 0.003088 -0.001039 26O 1f+3 0.001833 -0.003222 0.000012 -0.006330 -0.003541 0.000068 26O 1f-3 0.000318 -0.007025 0.014104 -0.018895 -0.011217 -0.001350 27O 1s 0.003199 0.001206 0.002225 0.001198 0.002172 0.008162 27O 2s 0.012864 0.005616 0.002359 -0.002211 0.003957 0.023116 27O 3s -0.116472 -0.056647 0.071621 0.136434 0.030030 -0.072970 27O 4s 0.384974 0.211417 -0.429195 -0.650221 -0.224786 -0.026829 27O 5s 0.617137 0.069223 -0.489206 -2.737412 -0.745906 0.348868 27O 1pz -0.004328 -0.005584 0.005791 0.005299 0.034578 0.008822 27O 1px -0.013175 -0.021898 0.004109 -0.005252 -0.013936 0.050514 27O 1py 0.023823 0.004741 -0.043029 0.001347 -0.048646 -0.002327 27O 2pz 0.006351 -0.000284 -0.061199 -0.029902 0.000824 -0.008846 27O 2px -0.220782 -0.124660 0.247541 0.651932 0.128716 0.000729 27O 2py 0.049243 0.025055 0.002982 -0.142084 -0.014107 0.008830 27O 3pz 0.093212 0.460287 0.397395 -0.314493 0.125350 0.056866 27O 3px -0.723951 0.019870 0.739125 1.517984 0.930806 -0.140675 27O 3py 0.227687 -0.485573 -0.771851 -0.044239 -0.604171 -0.142976 27O 1dz2 0.002587 0.000459 -0.004022 -0.004175 -0.002401 -0.001334 27O 1dxz -0.000091 0.000625 -0.000325 0.002363 0.002503 0.001085 27O 1dyz -0.002982 0.001003 -0.000490 0.005421 0.000623 -0.005642 27O 1dx2y2 -0.004289 0.000113 0.001730 0.006367 0.001298 -0.003912 27O 1dxy 0.003262 -0.000038 -0.001627 -0.006133 -0.007536 -0.002594 27O 2dz2 -0.021884 -0.016270 0.062751 0.187307 -0.046103 0.034514 27O 2dxz -0.023947 -0.076627 -0.040979 0.137949 -0.109638 0.067756 27O 2dyz -0.053113 -0.135430 -0.075586 0.187834 0.079581 -0.026323 27O 2dx2y2 0.044918 0.091510 0.004624 -0.249982 -0.054872 -0.096175 27O 2dxy -0.083390 0.035575 0.289583 0.044769 0.018538 -0.068806 27O 1f0 -0.001589 -0.002795 0.000330 -0.000647 -0.001878 0.000923 27O 1f+1 0.004413 -0.001040 -0.008260 -0.016192 -0.006423 -0.002086 27O 1f-1 -0.000893 -0.001629 -0.000014 0.001640 0.000993 -0.000422 27O 1f+2 0.000321 -0.000715 -0.000547 -0.008677 -0.000751 -0.000271 27O 1f-2 0.001734 0.003016 0.001009 -0.003196 0.000796 0.000825 27O 1f+3 0.006550 -0.001273 -0.009829 -0.015564 -0.006314 -0.003933 27O 1f-3 -0.003139 0.001424 0.015311 0.012091 0.005184 0.004358 28O 1s 0.002659 -0.001036 -0.002426 0.002305 0.002844 -0.000476 28O 2s 0.007505 0.000810 -0.010524 0.010797 0.008190 -0.001705 28O 3s -0.025901 -0.083046 0.099185 -0.130144 -0.020197 0.016755 28O 4s 0.029227 0.485417 -0.204347 0.473170 -0.133238 -0.027229 28O 5s 0.309070 0.420825 -1.489040 2.180499 0.528039 -0.365357 28O 1pz -0.000407 -0.041054 -0.014882 0.030288 0.010776 0.011224 28O 1px -0.043342 0.021613 -0.026739 -0.033272 0.001565 0.012790 28O 1py -0.027502 -0.013642 0.014191 0.005277 0.041663 0.001636 28O 2pz -0.055486 -0.212115 0.124356 -0.334780 0.034919 0.055718 28O 2px -0.008156 0.258009 -0.191390 0.381000 0.019900 -0.043346 28O 2py -0.042869 -0.032237 0.001098 -0.057690 0.019051 0.010478 28O 3pz -0.097821 0.034195 0.645742 -0.428855 -0.051269 0.117690 28O 3px 0.330694 0.309821 -0.504154 1.238664 -0.182404 -0.196396 28O 3py 0.065071 0.096419 0.192729 0.205800 0.115037 0.003398 28O 1dz2 -0.000849 -0.000876 0.000047 -0.000664 -0.000233 -0.000485 28O 1dxz 0.003206 0.001856 -0.005511 0.007268 -0.001777 -0.003157 28O 1dyz 0.001325 0.000171 0.002729 0.004563 0.002175 0.000434 28O 1dx2y2 0.000366 -0.001850 0.000707 -0.002218 -0.004844 -0.003547 28O 1dxy 0.003039 0.000400 -0.000424 0.005684 -0.002015 -0.000960 28O 2dz2 -0.047306 0.008219 -0.077741 0.015026 0.184781 0.018612 28O 2dxz 0.084119 -0.118701 0.102826 -0.124625 -0.102372 -0.025766 28O 2dyz 0.034985 0.075512 -0.182784 0.143768 0.005031 -0.041792 28O 2dx2y2 -0.076669 0.112963 0.025245 0.179595 -0.194634 -0.109964 28O 2dxy 0.005506 0.041692 0.160333 0.149067 0.015251 -0.035359 28O 1f0 -0.001879 0.003578 -0.002270 0.006001 0.004661 0.000262 28O 1f+1 -0.002574 0.005877 -0.005805 0.006727 0.006044 0.000183 28O 1f-1 -0.000018 -0.003637 0.001932 -0.007905 0.001605 0.003342 28O 1f+2 0.001077 -0.006153 0.013250 -0.010298 -0.000214 0.003511 28O 1f-2 -0.000025 0.002038 -0.004873 0.001252 0.001452 0.000078 28O 1f+3 0.000533 -0.004219 0.006616 -0.008103 0.002326 0.003583 28O 1f-3 0.000256 0.000376 -0.004840 -0.000424 -0.002573 -0.003962 29O 1s -0.007227 -0.000970 -0.000305 0.004135 0.006605 -0.001030 29O 2s -0.022093 0.001044 -0.001337 0.008972 0.021109 -0.004712 29O 3s 0.115436 -0.094398 0.015617 0.027469 -0.131797 0.060040 29O 4s 0.026154 0.489567 -0.042521 -0.420221 0.100764 -0.229065 29O 5s -1.086277 -0.444823 -0.069435 1.059078 0.868411 0.163733 29O 1pz 0.052890 0.055326 0.011497 -0.004303 0.020788 -0.019431 29O 1px 0.024005 0.028981 -0.003760 -0.037788 0.001186 -0.011471 29O 1py -0.037576 0.056616 -0.008633 -0.046248 0.034978 -0.004652 29O 2pz -0.054931 -0.081820 -0.012541 0.005780 -0.054199 0.069495 29O 2px -0.095529 -0.000134 -0.002310 0.034798 0.064772 0.005136 29O 2py 0.103521 -0.126333 0.017527 0.057312 -0.123784 0.057059 29O 3pz 0.241274 0.264940 0.085544 0.255598 0.171051 0.047076 29O 3px 0.403080 0.509987 -0.047276 -0.472405 -0.216374 -0.108441 29O 3py 0.167387 -0.002020 0.140126 -0.006851 -0.142143 -0.146980 29O 1dz2 -0.004147 -0.000913 -0.001137 -0.000458 0.001430 0.000908 29O 1dxz -0.001403 0.001031 -0.000219 -0.001410 0.001953 -0.000888 29O 1dyz -0.004445 -0.005419 -0.001026 0.000183 -0.002660 0.000728 29O 1dx2y2 0.005086 -0.001511 0.000186 0.000232 -0.002863 0.000056 29O 1dxy -0.001786 -0.001995 0.001815 0.000522 -0.002156 0.001137 29O 2dz2 -0.004630 0.173347 -0.023978 -0.048172 0.074400 -0.000457 29O 2dxz -0.101871 0.029249 -0.037702 -0.050714 0.060260 -0.072682 29O 2dyz 0.124566 0.112858 -0.005045 -0.045450 0.060351 -0.097611 29O 2dx2y2 -0.004411 -0.118638 0.037164 0.013397 -0.024238 0.001113 29O 2dxy 0.050737 -0.051725 0.016416 0.056143 0.000686 0.052591 29O 1f0 0.010909 -0.011248 0.001713 0.004338 -0.012868 0.005760 29O 1f+1 -0.005728 0.004835 -0.000895 -0.001635 0.006238 -0.001301 29O 1f-1 0.004636 -0.015726 0.001979 0.004760 -0.012110 0.008754 29O 1f+2 -0.005739 0.006074 -0.000234 -0.003060 0.008003 -0.003667 29O 1f-2 0.011903 -0.003495 0.001270 0.002602 -0.006420 0.001595 29O 1f+3 -0.009376 0.003934 -0.000847 -0.002571 0.006526 -0.001403 29O 1f-3 -0.006474 0.001165 -0.002693 -0.001945 0.004604 -0.000235 30O 1s 0.000680 0.002294 0.003539 0.001187 0.004956 0.003790 30O 2s -0.000069 0.004706 0.013436 0.008235 0.014430 0.008010 30O 3s 0.042570 0.024678 -0.103530 -0.135114 -0.046080 0.053291 30O 4s -0.180534 -0.231198 0.196520 0.560204 -0.145412 -0.376699 30O 5s -0.938815 -0.505885 1.319936 2.291349 0.307523 -1.712624 30O 1pz 0.019629 -0.013683 0.017329 0.026459 -0.002335 0.042095 30O 1px -0.042586 -0.009146 0.017493 -0.006195 0.013776 -0.059772 30O 1py -0.014497 -0.007099 0.003124 -0.027212 -0.030969 -0.013249 30O 2pz 0.098338 0.102081 -0.085194 -0.275200 0.017127 0.208474 30O 2px -0.181252 -0.145309 0.177732 0.381388 0.008344 -0.295551 30O 2py -0.084798 -0.111038 0.088073 0.299028 -0.009161 -0.222502 30O 3pz -0.054791 -0.028301 -0.374262 -0.540012 0.148658 0.563506 30O 3px -0.092501 -0.480065 0.352442 1.252247 -0.112517 -0.441269 30O 3py -0.096360 0.367132 0.402986 0.454122 -0.273606 -0.666478 30O 1dz2 -0.001789 -0.000171 0.001844 -0.003353 -0.001015 0.001054 30O 1dxz -0.000093 -0.000945 0.004455 0.005773 -0.001299 -0.002756 30O 1dyz -0.001061 -0.003796 0.001279 -0.000587 -0.000276 -0.004315 30O 1dx2y2 0.000493 -0.000980 -0.001025 -0.000405 -0.004515 -0.003022 30O 1dxy -0.000596 0.000219 -0.002494 -0.009625 0.001325 0.004749 30O 2dz2 0.022851 0.137367 -0.096753 -0.201204 -0.008364 0.065875 30O 2dxz 0.087238 0.084050 0.040678 -0.129552 -0.069814 0.240336 30O 2dyz 0.074247 -0.030272 -0.113090 -0.194348 -0.101816 0.107598 30O 2dx2y2 0.003422 -0.122424 -0.222202 0.114438 -0.106098 -0.197068 30O 2dxy -0.139722 0.014646 0.114750 0.059217 -0.030696 -0.104008 30O 1f0 -0.005109 -0.001001 0.004929 0.014463 0.001985 -0.014794 30O 1f+1 -0.001521 0.002852 -0.001917 0.000167 0.002925 -0.002927 30O 1f-1 -0.002660 -0.000671 0.002991 0.002019 -0.001364 -0.001480 30O 1f+2 0.000216 0.002744 -0.001968 -0.000740 -0.000617 0.004209 30O 1f-2 0.006588 0.004113 -0.010347 -0.011235 -0.003601 0.013557 30O 1f+3 -0.001791 0.000207 0.005139 -0.002630 0.000836 -0.001491 30O 1f-3 0.005952 0.000933 -0.008411 -0.008666 0.002542 0.014854 31O 1s 0.000244 -0.002366 0.003626 -0.001391 0.004799 -0.003704 31O 2s -0.001090 -0.004629 0.013682 -0.008889 0.013958 -0.007708 31O 3s 0.042923 -0.030986 -0.103895 0.138506 -0.044214 -0.055441 31O 4s -0.166818 0.261940 0.194428 -0.560202 -0.145130 0.381670 31O 5s -0.922704 0.590626 1.312799 -2.321839 0.254350 1.744399 31O 1pz -0.020438 -0.012117 -0.018315 0.025338 0.005549 0.042240 31O 1px 0.041408 -0.012932 -0.015423 -0.004935 -0.017784 -0.059813 31O 1py 0.013455 -0.009626 -0.002458 -0.028341 0.028526 -0.013338 31O 2pz -0.101428 0.115504 0.084674 -0.277709 -0.019030 0.211167 31O 2px 0.181875 -0.167516 -0.175720 0.386705 -0.006897 -0.298828 31O 2py 0.089402 -0.123974 -0.087418 0.301414 0.011805 -0.225084 31O 3pz 0.081533 -0.027300 0.366789 -0.535344 -0.173002 0.570942 31O 3px 0.036233 -0.496332 -0.363708 1.249049 0.156313 -0.457117 31O 3py 0.094474 0.353343 -0.395005 0.447933 0.295032 -0.673725 31O 1dz2 -0.001855 0.000345 0.001840 0.003389 -0.000780 -0.001080 31O 1dxz -0.000211 0.001024 0.004489 -0.005688 -0.001526 0.002878 31O 1dyz -0.000446 0.003820 0.001143 0.000563 -0.000102 0.004350 31O 1dx2y2 0.001178 0.000932 -0.001006 0.000648 -0.004612 0.003083 31O 1dxy -0.000350 -0.000314 -0.002545 0.009584 0.001690 -0.004859 31O 2dz2 0.006618 -0.145190 -0.099154 0.197982 0.000432 -0.068553 31O 2dxz 0.077734 -0.093391 0.045106 0.136783 -0.073174 -0.239311 31O 2dyz 0.070891 0.021968 -0.114743 0.202667 -0.097805 -0.108216 31O 2dx2y2 0.023417 0.124582 -0.221746 -0.110348 -0.107177 0.198336 31O 2dxy -0.145088 -0.001877 0.111860 -0.059812 -0.027074 0.104851 31O 1f0 0.005650 -0.001715 -0.004853 0.014765 -0.001717 -0.014881 31O 1f+1 0.002003 0.002757 0.001982 0.000437 -0.002985 -0.002913 31O 1f-1 0.002641 -0.001064 -0.003043 0.001980 0.001358 -0.001499 31O 1f+2 0.000015 0.002709 0.001808 -0.000801 0.000815 0.004251 31O 1f-2 -0.006783 0.004906 0.010175 -0.011625 0.003735 0.013668 31O 1f+3 0.001900 0.000006 -0.005035 -0.002569 -0.001054 -0.001411 31O 1f-3 -0.006305 0.001644 0.008276 -0.008648 -0.002596 0.014955 32O 1s -0.006853 0.001439 -0.000231 -0.004537 0.006362 0.000957 32O 2s -0.022712 0.000393 -0.001133 -0.010280 0.020549 0.004450 32O 3s 0.157150 0.086752 0.014902 -0.018780 -0.132528 -0.057806 32O 4s -0.189197 -0.489704 -0.044929 0.411496 0.121925 0.225098 32O 5s -0.881620 0.509127 -0.052457 -1.112338 0.808604 -0.173547 32O 1pz -0.054073 0.058527 -0.012939 -0.003508 -0.019681 -0.018619 32O 1px -0.017982 0.030127 0.003621 -0.037407 -0.002063 -0.010501 32O 1py 0.061111 0.055481 0.007971 -0.043442 -0.037614 -0.003878 32O 2pz 0.052125 -0.084488 0.014611 0.001400 0.051652 0.065980 32O 2px 0.104017 -0.005473 0.002164 0.038262 -0.063529 0.004712 32O 2py -0.155471 -0.121572 -0.016659 0.049178 0.127127 0.056308 32O 3pz -0.286091 0.283345 -0.086070 0.253694 -0.164030 0.051789 32O 3px -0.211121 0.533233 0.051281 -0.488022 0.184002 -0.107865 32O 3py -0.167977 0.016882 -0.138441 -0.016177 0.137986 -0.151093 32O 1dz2 -0.004267 0.000954 -0.001126 0.000291 0.001642 -0.000825 32O 1dxz -0.001759 -0.000997 -0.000193 0.001319 0.002089 0.000896 32O 1dyz -0.004344 0.005823 -0.001078 -0.000079 -0.002663 -0.000698 32O 1dx2y2 0.005960 0.001005 0.000175 0.000006 -0.002767 0.000064 32O 1dxy -0.001862 0.002159 0.001824 -0.000427 -0.002224 -0.001067 32O 2dz2 -0.059593 -0.170299 -0.018141 0.042607 0.073622 -0.003880 32O 2dxz -0.146324 -0.020443 -0.043494 0.046249 0.064280 0.070699 32O 2dyz 0.110656 -0.127700 -0.005290 0.044005 0.067019 0.094457 32O 2dx2y2 0.035079 0.121377 0.034154 -0.011376 -0.023325 -0.002781 32O 2dxy 0.096843 0.050041 0.017043 -0.056180 -0.006586 -0.052980 32O 1f0 -0.015055 -0.009580 -0.001584 0.003259 0.012281 0.005057 32O 1f+1 0.008422 0.004838 0.000922 -0.001321 -0.006776 -0.001435 32O 1f-1 -0.010639 -0.015797 -0.001918 0.004002 0.012754 0.008616 32O 1f+2 0.008724 0.006273 0.000337 -0.002708 -0.008715 -0.003840 32O 1f-2 -0.015195 -0.002332 -0.001300 0.002090 0.006169 0.001424 32O 1f+3 0.011084 0.003251 0.000759 -0.002027 -0.006396 -0.001270 32O 1f-3 0.007639 0.000641 0.002710 -0.001598 -0.004572 -0.000064 33O 1s 0.002226 0.000731 -0.002475 -0.002486 0.002795 0.000384 33O 2s 0.006361 -0.001776 -0.010507 -0.011414 0.007638 0.001464 33O 3s -0.023335 0.087922 0.095537 0.133609 -0.008633 -0.016698 33O 4s 0.031843 -0.494154 -0.185378 -0.471583 -0.182861 0.035975 33O 5s 0.366997 -0.450856 -1.424374 -2.240669 0.318925 0.343812 33O 1pz -0.001469 -0.040879 0.015058 0.030917 -0.010112 0.012742 33O 1px 0.044406 0.018720 0.025744 -0.031895 -0.000313 0.013280 33O 1py 0.025713 -0.016506 -0.014017 0.007780 -0.041626 0.001981 33O 2pz 0.053818 -0.218487 -0.113950 -0.335486 -0.068195 0.057875 33O 2px 0.006625 0.261871 0.178743 0.387624 0.020152 -0.045372 33O 2py 0.041334 -0.035724 -0.000043 -0.056421 -0.024329 0.011209 33O 3pz 0.097601 0.029917 -0.615951 -0.444318 0.007771 0.117443 33O 3px -0.392723 0.341196 0.475514 1.237197 0.285683 -0.200593 33O 3py -0.088006 0.105073 -0.187353 0.200697 -0.101998 0.003464 33O 1dz2 -0.001364 0.000908 -0.000061 0.000636 -0.000147 0.000423 33O 1dxz 0.003243 -0.002201 -0.005301 -0.007236 -0.002453 0.003198 33O 1dyz 0.000683 -0.000265 0.002745 -0.004586 0.001984 -0.000373 33O 1dx2y2 0.000685 0.001901 0.000589 0.002514 -0.004549 0.003579 33O 1dxy 0.003111 -0.000652 -0.000270 -0.005515 -0.002442 0.001041 33O 2dz2 -0.061456 -0.003541 -0.074784 -0.029969 0.185405 -0.023564 33O 2dxz 0.086513 0.115335 0.094222 0.133077 -0.084067 0.024947 33O 2dyz 0.031259 -0.082427 -0.181670 -0.147813 -0.004718 0.039630 33O 2dx2y2 -0.057861 -0.106957 0.029854 -0.171310 -0.213111 0.114740 33O 2dxy 0.020090 -0.039980 0.161319 -0.143936 0.005620 0.039524 33O 1f0 0.002006 0.003420 0.001990 0.006387 -0.003965 0.000241 33O 1f+1 0.002973 0.005702 0.005437 0.007289 -0.005227 0.000222 33O 1f-1 -0.000526 -0.003751 -0.001774 -0.007841 -0.002121 0.003456 33O 1f+2 -0.001124 -0.006226 -0.012778 -0.010679 -0.001051 0.003380 33O 1f-2 -0.000141 0.002128 0.004903 0.001503 -0.001233 0.000156 33O 1f+3 -0.000614 -0.004271 -0.006329 -0.008182 -0.003175 0.003612 33O 1f-3 0.000189 0.000419 0.004840 -0.000428 0.002577 -0.003904 34O 1s 0.003185 -0.001613 0.002354 -0.001193 0.002103 -0.008163 34O 2s 0.012799 -0.007108 0.002678 0.002421 0.003928 -0.023180 34O 3s -0.117550 0.068277 0.071724 -0.140965 0.026018 0.074642 34O 4s 0.396329 -0.245388 -0.434738 0.669125 -0.208393 0.018290 34O 5s 0.626329 -0.148202 -0.512635 2.798327 -0.629600 -0.352317 34O 1pz 0.005163 -0.005093 -0.006107 0.007545 -0.033449 0.008790 34O 1px 0.015899 -0.022763 -0.003811 -0.005194 0.012817 0.049917 34O 1py -0.026684 0.007292 0.043654 -0.000993 0.047965 -0.002289 34O 2pz -0.005768 0.000592 0.061294 -0.030143 -0.001623 -0.008554 34O 2px 0.237327 -0.148385 -0.254513 0.664612 -0.107732 -0.005052 34O 2py -0.055188 0.030971 -0.000840 -0.144899 0.008729 0.009171 34O 3pz -0.053631 0.473043 -0.391654 -0.312013 -0.132046 0.057356 34O 3px 0.701830 -0.040426 -0.752360 1.577427 -0.856248 -0.146842 34O 3py -0.263734 -0.478611 0.767778 -0.072361 0.585208 -0.135761 34O 1dz2 0.002700 -0.000716 -0.004037 0.004298 -0.002333 0.001293 34O 1dxz 0.000113 -0.000660 -0.000241 -0.002502 0.002298 -0.001125 34O 1dyz -0.003262 -0.000663 -0.000499 -0.005461 0.000389 0.005701 34O 1dx2y2 -0.004587 0.000321 0.001723 -0.006572 0.001166 0.003913 34O 1dxy 0.002980 -0.000231 -0.001743 0.006566 -0.007167 0.002632 34O 2dz2 -0.023214 0.020687 0.065747 -0.187112 -0.055794 -0.033331 34O 2dxz -0.010943 0.081604 -0.035964 -0.130552 -0.117562 -0.066340 34O 2dyz -0.041722 0.139048 -0.071743 -0.192912 0.066935 0.027807 34O 2dx2y2 0.043072 -0.093584 0.002321 0.254485 -0.046031 0.092138 34O 2dxy -0.099949 -0.026851 0.287126 -0.046026 0.018535 0.070788 34O 1f0 0.001037 -0.002931 -0.000272 -0.000727 0.001693 0.000935 34O 1f+1 -0.005209 -0.000657 0.008501 -0.016732 0.005666 -0.001993 34O 1f-1 0.000765 -0.001608 -0.000000 0.001820 -0.000944 -0.000415 34O 1f+2 -0.000687 -0.000581 0.000675 -0.008710 0.000312 -0.000200 34O 1f-2 -0.001561 0.003250 -0.000966 -0.003178 -0.000850 0.000894 34O 1f+3 -0.007249 -0.000696 0.010014 -0.016007 0.005659 -0.003787 34O 1f-3 0.004104 0.001095 -0.015519 0.012360 -0.004591 0.004163 35O 1s 0.002106 0.001859 -0.000197 -0.002816 0.003750 -0.002815 35O 2s 0.007148 0.006658 0.003165 -0.002584 0.007372 -0.007798 35O 3s -0.052259 -0.059621 -0.081516 -0.113261 0.041195 0.022630 35O 4s 0.179520 0.192570 0.356047 0.636430 -0.375083 0.038095 35O 5s 0.529697 0.884796 0.424373 2.371357 -0.178457 -0.198297 35O 1pz 0.035197 -0.017904 0.032800 -0.002994 -0.034114 -0.006216 35O 1px -0.016192 0.000749 -0.008979 -0.005944 0.018971 0.026430 35O 1py -0.012187 0.002088 0.038910 -0.001236 -0.025859 0.004065 35O 2pz 0.022034 0.056857 -0.038259 0.066370 0.015537 -0.016847 35O 2px 0.069105 0.283059 0.194058 0.555665 -0.161140 -0.008817 35O 2py 0.035883 0.137368 0.058475 0.246210 -0.017578 -0.034466 35O 3pz 0.308878 -0.605553 0.692868 -0.070936 -0.751319 0.207084 35O 3px 0.657197 0.087262 0.527622 1.458037 -0.678528 -0.078306 35O 3py 0.474673 -0.389997 0.564011 0.429149 -0.693719 0.032721 35O 1dz2 0.002395 0.003520 0.002179 0.006264 -0.000897 0.001272 35O 1dxz -0.003271 0.001793 -0.000615 -0.006777 0.002064 0.001676 35O 1dyz 0.001407 0.001233 -0.001817 0.001754 0.002321 -0.003987 35O 1dx2y2 -0.001275 -0.002849 -0.001312 -0.001955 0.000658 0.000800 35O 1dxy -0.002280 -0.001619 -0.001870 -0.005725 0.004483 0.000977 35O 2dz2 0.021593 -0.025436 -0.068381 -0.066136 -0.086458 0.019592 35O 2dxz 0.076724 -0.072487 0.153819 -0.121352 -0.244485 0.093898 35O 2dyz -0.015327 0.002249 0.071495 0.144381 -0.016020 -0.088047 35O 2dx2y2 -0.033624 0.081868 -0.134148 0.295179 -0.075267 0.032172 35O 2dxy -0.051796 0.025552 0.176511 0.166927 0.004611 0.009062 35O 1f0 -0.001030 0.000576 -0.002582 -0.002126 0.006677 0.001698 35O 1f+1 -0.002651 -0.003030 -0.006786 -0.013377 0.008921 0.001665 35O 1f-1 -0.002164 -0.001786 -0.003729 0.001292 0.004469 -0.001687 35O 1f+2 0.000198 -0.000936 0.006580 -0.001536 -0.004243 0.002026 35O 1f-2 -0.001190 0.002669 0.004067 0.005891 -0.002704 -0.001024 35O 1f+3 -0.001915 -0.003200 0.000217 -0.006488 0.003017 0.000180 35O 1f-3 -0.001470 -0.007541 -0.013639 -0.019699 0.009861 -0.001378 354 355 356 357 358 359 1.81557 1.82199 1.83242 1.83442 1.85476 1.86354 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s 0.001235 0.001766 0.000138 -0.000288 0.002446 0.000953 0Rh 2s -0.002477 -0.006745 0.000399 0.000851 -0.007714 -0.004464 0Rh 3s 0.005740 0.006250 0.001053 -0.001171 0.009650 0.002866 0Rh 4s 0.011335 0.032729 -0.002249 -0.004072 0.036896 0.021876 0Rh 5s 0.011881 -0.029673 0.011666 0.001423 -0.015483 -0.026688 0Rh 6s -0.136255 -0.092495 -0.038993 0.021868 -0.194788 -0.033991 0Rh 7s 1.044662 0.628236 0.381977 -0.133660 1.676827 0.261560 0Rh 8s -0.116483 -0.358013 -0.283253 0.003167 -0.274730 0.053191 0Rh 1pz 0.010943 0.011242 -0.005128 -0.019441 -0.011965 -0.006989 0Rh 1px 0.012813 0.012019 0.007408 -0.007821 0.011956 0.004192 0Rh 1py 0.003400 0.013788 -0.019333 0.004696 -0.004249 -0.000615 0Rh 2pz -0.037107 -0.038243 0.017231 0.065811 0.040056 0.023861 0Rh 2px -0.042505 -0.041366 -0.024648 0.026440 -0.039480 -0.014573 0Rh 2py -0.011368 -0.047232 0.065227 -0.015860 0.014442 0.001741 0Rh 3pz 0.001256 0.004748 0.001864 0.000085 0.012476 -0.004459 0Rh 3px -0.018998 0.014901 -0.009964 0.000751 -0.022148 0.007909 0Rh 3py -0.003202 0.012819 0.006000 -0.000356 -0.001148 0.006515 0Rh 4pz 0.225217 0.213064 -0.108368 -0.406467 -0.314519 -0.127307 0Rh 4px 0.342880 0.192653 0.197065 -0.165990 0.337841 0.059044 0Rh 4py 0.084179 0.234489 -0.435066 0.096585 -0.084740 -0.032202 0Rh 5pz -0.362779 -0.342995 0.158223 0.658217 0.588461 0.195402 0Rh 5px -0.600655 -0.278289 -0.345352 0.270026 -0.607906 -0.091633 0Rh 5py -0.143539 -0.354706 0.742542 -0.147300 0.138465 0.040461 0Rh 6pz 0.081239 0.867637 -0.614715 -0.844169 -0.134657 -0.308924 0Rh 6px 1.014974 -0.489880 0.169593 -0.421643 1.690399 -0.001667 0Rh 6py 0.058097 0.271069 -0.709136 0.406950 -0.522974 -0.289201 0Rh 1dz2 -0.017888 -0.002385 -0.001485 -0.025877 0.005462 -0.001868 0Rh 1dxz -0.001772 -0.010796 -0.000876 -0.013203 0.007240 -0.000556 0Rh 1dyz 0.013333 -0.004965 0.001060 0.011134 0.001128 -0.001510 0Rh 1dx2y2 -0.020783 0.009488 -0.006318 -0.018426 -0.007280 0.005087 0Rh 1dxy -0.004225 -0.005063 -0.006566 0.000204 -0.005081 -0.001311 0Rh 2dz2 0.003050 0.001790 0.001263 0.003335 -0.003699 0.000503 0Rh 2dxz -0.002485 0.001328 -0.000565 0.003921 0.000029 0.000537 0Rh 2dyz -0.004236 0.001940 -0.000428 -0.002861 -0.000461 0.000906 0Rh 2dx2y2 0.003630 -0.002310 0.000047 0.003381 0.003889 -0.000887 0Rh 2dxy 0.000173 -0.000090 0.005014 -0.000496 0.002069 -0.000305 0Rh 3dz2 0.030837 -0.001907 -0.001831 0.049405 0.002351 0.002381 0Rh 3dxz 0.014987 0.020509 0.004517 0.015663 -0.017969 -0.001002 0Rh 3dyz -0.014259 0.003685 -0.001069 -0.014970 -0.000735 -0.000235 0Rh 3dx2y2 0.035353 -0.013133 0.015257 0.030814 0.001335 -0.008665 0Rh 3dxy 0.009746 0.012528 -0.005386 0.001730 0.003718 0.004400 0Rh 4dz2 0.052161 0.025527 0.018854 0.059899 -0.051209 0.008758 0Rh 4dxz -0.031057 0.029515 -0.005328 0.061696 -0.004142 0.008318 0Rh 4dyz -0.069357 0.030961 -0.001397 -0.047565 -0.007759 0.014141 0Rh 4dx2y2 0.061213 -0.039726 0.005450 0.057281 0.054012 -0.016167 0Rh 4dxy 0.002797 0.007768 0.072020 -0.008561 0.030072 -0.000107 0Rh 5dz2 -0.190406 -0.097754 -0.081006 -0.210946 0.185492 -0.042319 0Rh 5dxz 0.118020 -0.181530 0.007915 -0.248739 0.016337 -0.029092 0Rh 5dyz 0.300870 -0.151960 -0.045717 0.194193 0.031907 -0.071655 0Rh 5dx2y2 -0.226616 0.180697 -0.026654 -0.219065 -0.193895 0.063713 0Rh 5dxy 0.010499 -0.110773 -0.294246 0.047227 -0.117479 -0.042233 0Rh 1f0 -0.066065 0.051647 -0.052921 0.078231 -0.023060 -0.015179 0Rh 1f+1 -0.034069 0.014125 -0.021314 0.049217 0.062173 -0.020634 0Rh 1f-1 0.054356 0.125828 -0.096114 -0.071061 -0.001160 -0.068996 0Rh 1f+2 -0.021274 -0.054211 0.015782 0.099181 -0.063318 0.013424 0Rh 1f-2 0.044093 -0.005155 -0.018011 0.033483 -0.008901 -0.051397 0Rh 1f+3 0.023958 -0.005555 -0.040789 -0.064526 0.048723 -0.013842 0Rh 1f-3 -0.021953 0.053800 0.089838 0.001555 0.006294 0.006812 1Rh 1s 0.001245 -0.001732 0.000107 -0.000261 0.002430 -0.000936 1Rh 2s -0.002507 0.006696 0.000503 0.000738 -0.007657 0.004421 1Rh 3s 0.005778 -0.006079 0.000938 -0.001081 0.009592 -0.002794 1Rh 4s 0.011481 -0.032519 -0.002752 -0.003523 0.036620 -0.021673 1Rh 5s 0.011794 0.030328 0.012036 0.000886 -0.015272 0.026744 1Rh 6s -0.136866 0.087870 -0.037227 0.020417 -0.193822 0.032199 1Rh 7s 1.051211 -0.590106 0.372136 -0.119794 1.664772 -0.246251 1Rh 8s -0.113746 0.351304 -0.271584 -0.002124 -0.268851 -0.052636 1Rh 1pz -0.010733 0.011319 0.005749 0.019370 0.011572 -0.006931 1Rh 1px -0.012719 0.011693 -0.007026 0.007662 -0.012287 0.004178 1Rh 1py -0.003465 0.013211 0.019677 -0.004553 0.004546 -0.001321 1Rh 2pz 0.036390 -0.038493 -0.019340 -0.065580 -0.038723 0.023668 1Rh 2px 0.042186 -0.040286 0.023342 -0.025884 0.040604 -0.014537 1Rh 2py 0.011595 -0.045288 -0.066412 0.015370 -0.015453 0.004136 1Rh 3pz -0.001071 0.004527 -0.001711 0.000138 -0.012540 -0.004584 1Rh 3px 0.019012 0.015390 0.010268 -0.001130 0.022010 0.008176 1Rh 3py 0.002992 0.013116 -0.005582 0.000505 0.001272 0.006483 1Rh 4pz -0.221639 0.215497 0.120460 0.404278 0.306743 -0.125460 1Rh 4px -0.340977 0.183932 -0.190355 0.164137 -0.344225 0.057751 1Rh 4py -0.084776 0.220940 0.440627 -0.094126 0.090321 -0.047257 1Rh 5pz 0.357473 -0.347410 -0.177091 -0.654901 -0.576738 0.191664 1Rh 5px 0.597322 -0.262892 0.335344 -0.267722 0.618569 -0.089064 1Rh 5py 0.144553 -0.331240 -0.751101 0.143296 -0.147101 0.066202 1Rh 6pz -0.079149 0.889783 0.656234 0.834053 0.131340 -0.306773 1Rh 6px -0.999389 -0.519449 -0.167285 0.439861 -1.729106 -0.015148 1Rh 6py -0.054167 0.274889 0.717281 -0.403253 0.545717 -0.310742 1Rh 1dz2 -0.018053 0.002995 -0.001433 -0.025848 0.005598 0.001838 1Rh 1dxz -0.001691 0.011171 -0.000616 -0.013220 0.006742 0.000689 1Rh 1dyz 0.013381 0.005101 0.001386 0.011162 0.001642 0.001513 1Rh 1dx2y2 -0.020761 -0.009677 -0.006570 -0.018516 -0.007359 -0.005096 1Rh 1dxy -0.004370 0.005169 -0.006350 0.000434 -0.004929 0.001063 1Rh 2dz2 0.003073 -0.001934 0.001189 0.003294 -0.003751 -0.000464 1Rh 2dxz -0.002481 -0.001434 -0.000581 0.003916 0.000107 -0.000563 1Rh 2dyz -0.004222 -0.001961 -0.000560 -0.002917 -0.000770 -0.000777 1Rh 2dx2y2 0.003650 0.002402 0.000100 0.003393 0.003811 0.000939 1Rh 2dxy 0.000196 -0.000082 0.004986 -0.000509 0.001957 0.000349 1Rh 3dz2 0.031142 0.001030 -0.001638 0.049511 0.002260 -0.002484 1Rh 3dxz 0.014774 -0.020978 0.003956 0.015730 -0.017080 0.000784 1Rh 3dyz -0.014440 -0.003906 -0.001281 -0.014789 -0.000611 -0.000347 1Rh 3dx2y2 0.035213 0.013209 0.015646 0.030989 0.001887 0.008463 1Rh 3dxy 0.009994 -0.012047 -0.005785 0.001221 0.003859 -0.003979 1Rh 4dz2 0.052603 -0.027910 0.017674 0.059258 -0.052572 -0.008056 1Rh 4dxz -0.031145 -0.031105 -0.005836 0.061600 -0.002717 -0.008742 1Rh 4dyz -0.069208 -0.031649 -0.003792 -0.048611 -0.013814 -0.012062 1Rh 4dx2y2 0.061477 0.040915 0.006350 0.057457 0.052640 0.016896 1Rh 4dxy 0.003334 -0.010163 0.071193 -0.008974 0.027738 0.000918 1Rh 5dz2 -0.192675 0.107500 -0.073743 -0.207005 0.202757 0.038134 1Rh 5dxz 0.119234 0.187074 0.011520 -0.248215 0.009877 0.030839 1Rh 5dyz 0.300672 0.158117 -0.029047 0.202759 0.083663 0.059502 1Rh 5dx2y2 -0.226937 -0.184127 -0.029977 -0.219008 -0.184345 -0.067359 1Rh 5dxy 0.006890 0.120553 -0.286011 0.051161 -0.096449 0.038712 1Rh 1f0 0.066066 0.050292 0.053593 -0.077259 0.025606 -0.016726 1Rh 1f+1 0.034836 0.014057 0.022168 -0.050036 -0.064615 -0.019543 1Rh 1f-1 -0.053530 0.124800 0.101619 0.070574 0.002129 -0.072546 1Rh 1f+2 0.020384 -0.056531 -0.019701 -0.097470 0.069536 0.012458 1Rh 1f-2 -0.043918 -0.003533 0.016292 -0.034059 0.007530 -0.049344 1Rh 1f+3 -0.023344 -0.007506 0.042126 0.063734 -0.051055 -0.013841 1Rh 1f-3 0.020776 0.057241 -0.088064 -0.000974 -0.003549 0.003846 2C 1s 0.011117 0.026430 -0.001312 0.001799 0.015947 0.001258 2C 2s 0.038613 0.092056 -0.007130 0.005609 0.053772 0.007287 2C 3s -0.518400 -1.167989 0.139666 -0.077621 -0.713314 -0.155462 2C 4s 1.599879 3.474152 -0.534923 0.299827 2.157866 0.553021 2C 5s -0.131369 0.123540 -0.742287 -0.167796 -0.995151 0.161970 2C 1pz -0.012904 -0.311564 0.119271 0.004367 -0.132810 -0.149450 2C 1px 0.048121 -0.112134 -0.007367 0.063708 -0.103027 0.023884 2C 1py -0.178655 -0.226444 -0.041023 0.023049 -0.152445 0.186040 2C 2pz 0.363573 1.674179 -0.631372 0.155250 0.783509 0.749542 2C 2px 0.033971 0.516456 -0.052333 -0.248242 0.225486 -0.014851 2C 2py 0.814278 1.202983 -0.030761 -0.089747 0.676465 -0.502489 2C 3pz 0.108683 0.392681 -0.093152 -0.064304 0.122413 0.002752 2C 3px 0.135407 0.121522 -0.049975 0.012117 0.090697 0.056350 2C 3py 0.023846 0.218044 -0.153654 0.146137 -0.037450 0.139707 2C 1dz2 -0.009540 -0.008578 0.008582 -0.027759 -0.006613 -0.018656 2C 1dxz -0.001222 0.006248 0.004805 -0.013559 0.031732 -0.020281 2C 1dyz 0.005640 0.000778 0.014110 0.003736 0.003705 -0.019876 2C 1dx2y2 -0.002099 0.009793 0.008784 -0.030605 0.001985 -0.032861 2C 1dxy -0.028805 0.005055 -0.018816 0.015012 0.009128 0.038686 2C 2dz2 0.141611 0.488737 -0.163195 0.053900 0.289661 0.199844 2C 2dxz 0.172042 0.217842 -0.063245 -0.006262 -0.001609 -0.004294 2C 2dyz 0.311511 0.796216 -0.175923 -0.009410 0.424826 0.092660 2C 2dx2y2 -0.086346 -0.193561 0.076558 -0.046460 -0.078315 -0.040295 2C 2dxy -0.004207 0.154657 -0.095908 -0.016416 -0.011614 0.130825 2C 1f0 0.022949 0.008425 0.026642 -0.042028 0.021078 -0.071992 2C 1f+1 -0.015097 0.017453 -0.018344 -0.003673 0.012912 0.047488 2C 1f-1 0.010269 -0.017539 -0.006655 0.021738 -0.000339 0.034186 2C 1f+2 -0.021225 -0.005021 -0.007524 -0.007181 -0.019454 0.004058 2C 1f-2 0.027771 0.007482 0.008640 0.001445 0.019221 -0.024827 2C 1f+3 0.021981 0.008200 0.011608 -0.022825 0.000280 -0.059775 2C 1f-3 0.006765 0.015534 -0.003374 -0.003313 0.007630 0.003944 3C 1s 0.006775 -0.004949 0.000741 -0.003641 0.016899 -0.005190 3C 2s 0.023389 -0.018092 0.002976 -0.013290 0.059012 -0.019621 3C 3s -0.276701 0.214252 -0.085845 0.199614 -0.774131 0.308550 3C 4s 0.696033 -0.565976 0.403899 -0.714809 2.315068 -1.058719 3C 5s 0.167451 -0.377014 0.404635 -0.060013 0.225038 -0.113936 3C 1pz 0.054396 0.010585 -0.075351 0.094399 -0.089087 0.134372 3C 1px 0.075673 0.030999 0.010765 -0.005178 -0.137394 0.184500 3C 1py 0.189213 -0.131881 -0.083045 -0.004227 0.192816 0.054111 3C 2pz -0.157905 -0.106887 0.311155 -0.402144 0.549894 -0.629020 3C 2px -0.205416 -0.135354 0.245120 -0.058149 0.516782 -0.763933 3C 2py -0.636488 0.499973 0.146268 0.289175 -1.043007 0.121259 3C 3pz 0.028850 -0.086939 -0.082580 -0.091532 0.100992 0.041099 3C 3px 0.120626 -0.075827 0.051918 -0.027901 0.047316 -0.032870 3C 3py -0.096069 0.136524 -0.160607 0.020754 -0.405635 0.201043 3C 1dz2 -0.023404 0.004788 0.013572 -0.017826 -0.003699 -0.017095 3C 1dxz 0.019048 -0.005109 -0.037592 -0.023200 0.010369 0.045482 3C 1dyz -0.000183 0.001493 0.005791 -0.000371 0.007279 -0.015763 3C 1dx2y2 -0.003341 -0.002307 -0.029692 -0.021293 0.008164 0.014266 3C 1dxy 0.010526 0.001894 0.013376 0.005745 -0.021289 0.012804 3C 2dz2 -0.119081 0.060723 0.020971 -0.001270 -0.075479 -0.041395 3C 2dxz 0.114038 -0.062534 0.055655 -0.069730 0.097324 -0.010017 3C 2dyz -0.138296 0.147489 0.017323 0.119775 -0.453409 0.247082 3C 2dx2y2 -0.044428 0.095971 -0.000919 0.148864 -0.297309 0.127321 3C 2dxy -0.020768 0.102631 -0.146714 0.104291 -0.219805 0.222597 3C 1f0 0.032796 -0.014633 -0.039347 0.008783 0.006141 0.050028 3C 1f+1 -0.013450 0.000460 0.004591 -0.003521 0.012499 -0.033184 3C 1f-1 -0.013274 0.007559 0.025945 0.012604 0.005051 -0.043071 3C 1f+2 -0.000733 -0.018564 -0.015009 0.006345 0.004686 -0.009655 3C 1f-2 0.012010 -0.005108 -0.014987 0.006647 -0.013420 0.032502 3C 1f+3 0.040718 -0.008509 -0.020011 -0.009664 0.014023 0.057743 3C 1f-3 -0.000054 0.000021 -0.016015 -0.021696 -0.010605 0.031013 4C 1s -0.006818 -0.003669 0.000926 0.001843 -0.008103 -0.004657 4C 2s -0.023938 -0.014385 0.002659 0.006107 -0.030023 -0.015644 4C 3s 0.438171 0.838999 -0.113481 -0.111897 0.713757 0.324306 4C 4s -1.831174 -4.362613 0.532204 0.375604 -3.191267 -1.239901 4C 5s -0.148402 -0.504071 0.421899 0.283577 -0.388254 -0.618014 4C 1pz -0.081733 0.053303 -0.048093 -0.084338 -0.034783 0.025743 4C 1px -0.118606 -0.121388 0.120448 0.106324 0.022135 0.019121 4C 1py -0.053418 -0.050017 0.051394 -0.019175 -0.011142 -0.087379 4C 2pz 0.418359 0.367139 0.042058 0.533938 0.696050 0.026931 4C 2px 1.055468 1.521453 -1.110892 -0.924767 -0.485692 0.041656 4C 2py 0.508935 0.856739 -0.521322 0.017058 0.215746 0.392550 4C 3pz 0.513119 1.314431 -0.377582 0.198048 0.097941 -0.053064 4C 3px 0.045452 1.079696 -0.404977 0.020266 0.657294 0.070893 4C 3py 0.207699 1.130705 -0.373854 -0.014753 0.306284 0.008236 4C 1dz2 0.015397 0.015132 0.001590 0.021385 0.009510 0.000911 4C 1dxz 0.017718 0.005508 0.013730 -0.000819 0.023177 -0.027101 4C 1dyz 0.000843 0.020121 0.015286 -0.019837 0.024754 -0.028917 4C 1dx2y2 0.006145 -0.021239 0.003505 0.005071 -0.014617 -0.016344 4C 1dxy -0.023737 -0.012082 -0.011755 0.017885 -0.011035 0.032385 4C 2dz2 -0.266965 -0.513360 0.242606 0.166172 0.211641 0.020128 4C 2dxz 0.310314 0.247635 -0.249297 -0.330251 -0.352721 0.226171 4C 2dyz -0.224490 -0.628009 0.145725 0.026629 -0.244974 -0.042848 4C 2dx2y2 -0.105600 -0.041508 -0.118429 0.177242 -0.291830 0.093335 4C 2dxy 0.277988 0.053755 -0.085558 -0.345731 -0.464567 -0.427609 4C 1f0 -0.016066 0.028301 -0.013484 -0.031643 0.008514 0.029748 4C 1f+1 -0.010482 0.032737 -0.003661 -0.032633 0.035644 -0.007985 4C 1f-1 0.030135 0.093489 -0.018827 -0.013273 0.052531 0.001727 4C 1f+2 -0.023550 -0.078641 0.010088 -0.005908 -0.034680 -0.016563 4C 1f-2 0.007949 0.049217 -0.002653 0.023613 0.030297 0.025923 4C 1f+3 -0.018328 -0.017655 0.002636 -0.005291 0.003026 0.015280 4C 1f-3 0.022563 0.002180 0.003897 0.031302 0.002997 0.022080 5C 1s -0.005199 -0.001556 -0.004108 -0.000272 -0.009145 0.000831 5C 2s -0.018440 -0.004549 -0.013580 -0.000376 -0.033230 0.003971 5C 3s 0.412753 -0.153011 0.084776 -0.036903 0.840544 -0.244676 5C 4s -1.775066 1.007777 -0.116285 0.315541 -3.766710 1.249900 5C 5s -0.447178 0.569796 0.197818 -0.130608 -0.591947 0.453148 5C 1pz -0.008908 -0.058029 0.002431 -0.021245 0.021810 -0.037031 5C 1px -0.036828 -0.038125 -0.093311 0.171529 -0.095289 0.026020 5C 1py -0.059017 0.004989 0.096381 -0.042452 -0.025926 -0.074865 5C 2pz -0.031423 0.075315 -0.159418 0.120607 0.114283 -0.004489 5C 2px 0.397682 -0.205898 0.965592 -1.326054 0.700430 -0.323861 5C 2py 0.187536 0.039836 -0.293103 0.288948 -0.319182 0.492218 5C 3pz 0.267884 -0.150440 0.426885 0.047727 0.491455 -0.151312 5C 3px 0.199374 -0.395209 -0.346709 -0.490153 1.203310 -0.258726 5C 3py -0.311279 0.428848 -0.442819 0.292843 -1.093514 0.234604 5C 1dz2 0.005641 0.010245 0.022948 0.018184 0.005414 -0.017244 5C 1dxz 0.032365 -0.003177 -0.019885 0.001345 0.012818 0.035863 5C 1dyz -0.015996 0.002726 -0.000216 -0.009982 -0.009804 -0.008353 5C 1dx2y2 -0.001089 0.007643 -0.004682 0.011378 -0.019646 0.005268 5C 1dxy 0.011399 -0.002794 -0.006526 -0.003267 -0.013688 0.020538 5C 2dz2 0.150587 -0.056314 -0.243447 0.083466 0.277896 0.037434 5C 2dxz 0.011338 -0.000609 0.367277 0.020465 0.033479 -0.385048 5C 2dyz 0.173772 -0.172319 0.215648 -0.198887 0.343925 -0.219044 5C 2dx2y2 -0.098736 -0.010974 0.427999 -0.243293 -0.086827 -0.186089 5C 2dxy -0.215125 0.036976 -0.382357 0.170879 0.102364 -0.186693 5C 1f0 -0.026470 0.013110 0.005780 -0.009891 -0.026746 -0.014872 5C 1f+1 -0.007418 0.017777 -0.010266 -0.028738 0.012305 0.021577 5C 1f-1 0.017400 -0.010662 -0.008073 0.020751 0.005630 0.019711 5C 1f+2 -0.006400 0.016212 0.004301 0.030296 -0.048734 0.023950 5C 1f-2 -0.017167 0.033373 0.026755 0.009796 -0.061568 0.011911 5C 1f+3 0.022696 -0.014768 -0.004668 0.013080 0.036840 -0.030761 5C 1f-3 -0.044004 0.027673 -0.007732 -0.027990 -0.031421 0.001209 6C 1s -0.005103 0.001640 -0.004088 -0.000256 -0.008949 -0.000857 6C 2s -0.018091 0.004760 -0.013546 -0.000339 -0.032643 -0.004102 6C 3s 0.394251 0.148488 0.092768 -0.037111 0.840658 0.245268 6C 4s -1.682560 -0.992763 -0.160776 0.312229 -3.791721 -1.255102 6C 5s -0.426571 -0.556222 0.167479 -0.117830 -0.568639 -0.448456 6C 1pz 0.008998 -0.057842 -0.003265 0.021616 -0.017468 -0.034089 6C 1px 0.037121 -0.038949 0.090735 -0.170960 0.078769 0.022401 6C 1py 0.059343 0.007732 -0.098008 0.040336 0.023303 -0.082049 6C 2pz 0.037388 0.082479 0.151504 -0.126452 -0.182953 -0.033309 6C 2px -0.391566 -0.186923 -0.944245 1.329103 -0.497343 -0.279600 6C 2py -0.199660 0.017676 0.304975 -0.277743 0.363472 0.537481 6C 3pz -0.254067 -0.107346 -0.424986 -0.044672 -0.494560 -0.137260 6C 3px -0.185551 -0.391610 0.327588 0.477549 -1.227583 -0.261750 6C 3py 0.287868 0.374861 0.450687 -0.293587 1.106646 0.216748 6C 1dz2 0.005567 -0.010857 0.022842 0.018165 0.004808 0.017661 6C 1dxz 0.032404 0.003779 -0.020072 0.001415 0.013821 -0.035898 6C 1dyz -0.015965 -0.003118 -0.000065 -0.009979 -0.010287 0.008313 6C 1dx2y2 -0.000850 -0.008581 -0.004448 0.011046 -0.020816 -0.005481 6C 1dxy 0.011532 0.001987 -0.006315 -0.003430 -0.014030 -0.020860 6C 2dz2 0.143248 0.060365 -0.234477 0.085704 0.308068 -0.027273 6C 2dxz 0.009988 -0.001607 0.363007 0.016199 -0.015614 0.373689 6C 2dyz 0.162971 0.161268 0.215166 -0.201981 0.309721 0.207696 6C 2dx2y2 -0.099025 -0.006372 0.417087 -0.243227 -0.132549 0.175138 6C 2dxy -0.219257 -0.035647 -0.366935 0.179467 0.189909 0.215834 6C 1f0 0.025778 0.012680 -0.005267 0.010077 0.029897 -0.014501 6C 1f+1 0.007837 0.017624 0.010509 0.028812 -0.014521 0.021837 6C 1f-1 -0.017462 -0.010513 0.007849 -0.020606 -0.004696 0.020026 6C 1f+2 0.005033 0.016131 -0.004153 -0.030416 0.047873 0.023412 6C 1f-2 0.015626 0.033913 -0.026201 -0.010040 0.059746 0.011610 6C 1f+3 -0.021389 -0.014174 0.003505 -0.013105 -0.039446 -0.031223 6C 1f-3 0.043086 0.026897 0.008729 0.027911 0.031069 0.000563 7C 1s -0.006825 0.003094 0.000995 0.001905 -0.008160 0.004537 7C 2s -0.023935 0.012462 0.002965 0.006364 -0.030151 0.015238 7C 3s 0.438714 -0.808467 -0.136251 -0.120915 0.706576 -0.313477 7C 4s -1.831141 4.251959 0.656014 0.419907 -3.151623 1.195020 7C 5s -0.157293 0.488244 0.420711 0.289392 -0.383912 0.600384 7C 1pz 0.079488 0.056261 0.049591 0.079160 0.033480 0.020896 7C 1px 0.118540 -0.122044 -0.120466 -0.103814 -0.009843 0.020894 7C 1py 0.053223 -0.045052 -0.052901 0.019051 0.012642 -0.092424 7C 2pz -0.400380 0.337264 -0.017530 -0.495689 -0.643923 0.056810 7C 2px -1.061709 1.508720 1.112574 0.893990 0.320495 0.019354 7C 2py -0.502937 0.825953 0.543954 -0.012402 -0.240652 0.412180 7C 3pz -0.508022 1.233623 0.415959 -0.194918 -0.104382 -0.082450 7C 3px -0.048255 1.084608 0.446667 -0.015566 -0.624983 0.060591 7C 3py -0.207163 1.090217 0.411139 0.020605 -0.296637 -0.011290 7C 1dz2 0.015074 -0.015230 0.000808 0.021476 0.009445 -0.001292 7C 1dxz 0.017649 -0.006186 0.013576 -0.000812 0.023129 0.027611 7C 1dyz 0.001064 -0.020939 0.014490 -0.019342 0.025101 0.029593 7C 1dx2y2 0.006393 0.020238 0.004638 0.005137 -0.014748 0.016557 7C 1dxy -0.023936 0.012351 -0.011714 0.017986 -0.011476 -0.033077 7C 2dz2 -0.261851 0.497267 0.248213 0.161949 0.172458 -0.023130 7C 2dxz 0.314146 -0.239345 -0.240094 -0.311072 -0.282375 -0.221766 7C 2dyz -0.222485 0.619171 0.165254 0.034501 -0.242344 0.041634 7C 2dx2y2 -0.110944 0.042991 -0.122168 0.178353 -0.281558 -0.105339 7C 2dxy 0.278985 -0.059351 -0.074547 -0.330152 -0.406903 0.435752 7C 1f0 0.016373 0.026296 0.014209 0.031529 -0.008745 0.029861 7C 1f+1 0.010451 0.031560 0.004244 0.032835 -0.034605 -0.009404 7C 1f-1 -0.029623 0.091961 0.021915 0.014155 -0.050350 0.000535 7C 1f+2 0.024037 -0.078860 -0.011936 0.005636 0.036559 -0.015821 7C 1f-2 -0.007994 0.048513 0.004086 -0.023171 -0.030384 0.026066 7C 1f+3 0.018607 -0.018007 -0.002298 0.005968 -0.000897 0.016106 7C 1f-3 -0.022969 0.001895 -0.003524 -0.030902 -0.000259 0.021978 8C 1s 0.006302 0.004909 0.000805 -0.003471 0.017308 0.005353 8C 2s 0.021716 0.017786 0.003313 -0.012763 0.060250 0.020135 8C 3s -0.254977 -0.206418 -0.091709 0.193108 -0.788470 -0.318446 8C 4s 0.631765 0.531291 0.422577 -0.693920 2.358197 1.098480 8C 5s 0.165528 0.305101 0.424495 -0.078703 0.192831 0.073444 8C 1pz -0.059246 0.008253 0.077502 -0.092509 0.091196 0.141260 8C 1px -0.076210 0.033161 -0.011539 0.005320 0.137151 0.182679 8C 1py -0.184660 -0.131699 0.080409 0.004984 -0.198585 0.056498 8C 2pz 0.181424 -0.087985 -0.324360 0.392133 -0.564160 -0.660692 8C 2px 0.211552 -0.129947 -0.241696 0.058521 -0.497855 -0.755337 8C 2py 0.608924 0.482151 -0.130822 -0.288271 1.066699 0.124262 8C 3pz -0.029288 -0.084877 0.081630 0.093014 -0.105685 0.048795 8C 3px -0.116360 -0.068086 -0.055330 0.030263 -0.047542 -0.033864 8C 3py 0.086097 0.117382 0.166467 -0.020097 0.404876 0.198720 8C 1dz2 -0.023353 -0.004791 0.013313 -0.017941 -0.004137 0.016889 8C 1dxz 0.019178 0.006286 -0.037480 -0.023025 0.011513 -0.045398 8C 1dyz -0.000468 -0.002457 0.006428 -0.000071 0.007014 0.016884 8C 1dx2y2 -0.003504 0.002789 -0.029504 -0.021335 0.008565 -0.014469 8C 1dxy 0.010601 -0.002771 0.012977 0.005510 -0.021834 -0.013591 8C 2dz2 -0.116232 -0.058402 0.020487 0.000266 -0.073226 0.043960 8C 2dxz 0.110792 0.057185 0.055856 -0.068727 0.094562 0.010477 8C 2dyz -0.125771 -0.141253 0.010151 0.117771 -0.464953 -0.254990 8C 2dx2y2 -0.036830 -0.089773 -0.006690 0.145776 -0.309474 -0.133685 8C 2dxy -0.012720 -0.094088 -0.148913 0.104613 -0.209892 -0.222943 8C 1f0 -0.032668 -0.015584 0.039344 -0.008405 -0.007472 0.051010 8C 1f+1 0.013677 0.000111 -0.004370 0.003830 -0.011662 -0.032624 8C 1f-1 0.013592 0.008191 -0.026121 -0.012911 -0.004136 -0.044416 8C 1f+2 0.000930 -0.018841 0.014544 -0.005891 -0.003368 -0.008552 8C 1f-2 -0.012357 -0.005289 0.015148 -0.006498 0.012760 0.033581 8C 1f+3 -0.040449 -0.008927 0.019887 0.009678 -0.013871 0.057664 8C 1f-3 -0.000190 -0.000357 0.016269 0.021560 0.010401 0.031136 9C 1s 0.010895 -0.025780 -0.002155 0.001497 0.015752 -0.001157 9C 2s 0.037886 -0.089730 -0.010003 0.004512 0.053091 -0.006919 9C 3s -0.509589 1.136010 0.175795 -0.062046 -0.703653 0.154553 9C 4s 1.572558 -3.373499 -0.643596 0.248740 2.127898 -0.563025 9C 5s -0.117977 -0.072033 -0.735473 -0.157902 -0.980170 -0.123718 9C 1pz 0.011449 -0.302508 -0.131095 -0.006042 0.130043 -0.150157 9C 1px -0.051460 -0.114037 0.000137 -0.059355 0.098329 0.019311 9C 1py 0.178868 -0.232297 0.036123 -0.025910 0.152904 0.192236 9C 2pz -0.351852 1.618978 0.690262 -0.133499 -0.762596 0.759899 9C 2px -0.021667 0.512201 0.075805 0.233426 -0.225770 0.001033 9C 2py -0.811638 1.204942 0.059810 0.109040 -0.679147 -0.517067 9C 3pz -0.106181 0.373772 0.101853 0.068972 -0.113902 -0.008197 9C 3px -0.137525 0.107576 0.045722 -0.006535 -0.100735 0.055772 9C 3py -0.025718 0.207062 0.163753 -0.146612 0.033915 0.138101 9C 1dz2 -0.009707 0.008520 0.008749 -0.027593 -0.005814 0.018947 9C 1dxz -0.000792 -0.007127 0.004996 -0.014015 0.031396 0.021172 9C 1dyz 0.005665 -0.001987 0.013955 0.004241 0.003851 0.020565 9C 1dx2y2 -0.001813 -0.010348 0.008918 -0.030609 0.002134 0.034168 9C 1dxy -0.028677 -0.004883 -0.019372 0.014616 0.008458 -0.038877 9C 2dz2 0.136607 -0.472997 -0.179719 0.045557 0.276971 -0.203306 9C 2dxz 0.169860 -0.208741 -0.066417 -0.008005 0.006607 0.004565 9C 2dyz 0.309217 -0.782870 -0.200741 -0.019360 0.418641 -0.092636 9C 2dx2y2 -0.083254 0.188564 0.084835 -0.040686 -0.077900 0.042554 9C 2dxy -0.005333 -0.146801 -0.100159 -0.017118 -0.004961 -0.131421 9C 1f0 -0.023095 0.009566 -0.027059 0.042037 -0.020850 -0.073783 9C 1f+1 0.015014 0.016346 0.018904 0.003992 -0.013472 0.047573 9C 1f-1 -0.009656 -0.019352 0.006280 -0.020526 0.000499 0.035829 9C 1f+2 0.021444 -0.004497 0.007404 0.007459 0.019133 0.003306 9C 1f-2 -0.027685 0.007290 -0.008911 -0.001107 -0.019939 -0.024537 9C 1f+3 -0.022542 0.009478 -0.012439 0.022606 -0.001751 -0.061811 9C 1f-3 -0.006996 0.015930 0.003766 0.003022 -0.007268 0.002858 10H 1s 0.016447 -0.016097 0.023764 -0.039420 -0.031129 -0.046358 10H 2s -0.027982 -0.026648 -0.175260 0.165651 -0.163142 0.168195 10H 3s 0.019553 0.172703 0.200807 -0.035426 0.188728 -0.137111 10H 1pz 0.142608 0.092627 -0.008780 0.038759 -0.010800 -0.024839 10H 1px 0.082373 0.066329 -0.002885 -0.002690 0.017554 0.001329 10H 1py 0.013507 0.083618 -0.069061 0.001129 -0.002508 0.144587 11H 1s 0.042640 -0.047753 0.051704 -0.046706 0.027352 -0.129130 11H 2s -0.389328 0.221751 -0.263376 -0.004433 -0.014438 0.540453 11H 3s 0.326440 0.322934 0.160428 -0.061697 0.459880 -0.231554 11H 1pz -0.009934 0.171399 -0.059885 -0.055090 0.123665 0.063328 11H 1px -0.032586 -0.035420 -0.040288 0.007008 -0.085042 0.101397 11H 1py 0.002370 0.118357 -0.065112 -0.045122 0.064385 0.113188 12H 1s -0.069834 -0.062919 -0.053793 0.110591 -0.017961 0.185297 12H 2s 0.290146 0.280744 0.213886 -0.306394 0.185494 -0.724712 12H 3s -0.013949 0.252530 -0.127075 0.272636 0.238528 0.375868 12H 1pz 0.133304 0.198625 -0.011764 0.073093 0.141673 -0.028431 12H 1px 0.068073 0.005569 0.009816 0.024411 -0.035513 -0.045588 12H 1py 0.043110 0.095067 -0.005483 -0.012172 0.060899 -0.025209 13H 1s -0.042700 0.020972 0.058539 0.028867 -0.032840 -0.074544 13H 2s 0.142312 -0.076045 -0.081509 -0.175150 -0.087433 0.332764 13H 3s -0.084130 0.035647 -0.000008 0.085271 0.141266 -0.135076 13H 1pz 0.082478 -0.035333 -0.003946 0.004699 0.022803 0.078215 13H 1px 0.061640 -0.010097 0.052701 -0.012107 0.044697 0.013110 13H 1py 0.021610 -0.037566 -0.120608 0.068346 -0.006801 0.081167 14H 1s 0.063027 0.006811 -0.109278 -0.038250 -0.016533 0.170839 14H 2s -0.453234 -0.014426 0.235654 0.006432 0.128638 -0.718230 14H 3s 0.269384 -0.077605 -0.251948 -0.122045 0.146523 0.259052 14H 1pz 0.000505 -0.032776 -0.024145 0.001426 0.088944 -0.057431 14H 1px -0.053066 0.008408 0.030567 -0.045988 0.004550 -0.053537 14H 1py 0.052834 -0.001652 0.018285 0.121994 -0.149630 0.141285 15H 1s -0.063230 0.038152 0.082248 0.017381 -0.025439 -0.097490 15H 2s 0.385676 -0.216671 -0.401253 0.115023 0.147868 0.353687 15H 3s -0.042281 -0.009608 0.200696 -0.034971 0.314295 -0.303327 15H 1pz 0.073890 -0.061989 0.010274 0.030480 0.109509 -0.025914 15H 1px 0.112491 -0.029228 0.038936 0.026967 -0.025416 0.117754 15H 1py -0.090065 0.073546 0.029092 -0.031090 -0.120206 0.031729 16H 1s -0.051113 0.042442 -0.016390 0.009570 -0.051029 0.018017 16H 2s 0.146361 -0.299816 0.124997 -0.053558 0.229904 -0.035731 16H 3s -0.163458 0.089073 0.038094 0.018725 0.013100 -0.031372 16H 1pz 0.063048 0.028332 0.000558 0.015720 -0.021434 0.011476 16H 1px -0.047941 0.035898 0.097978 0.095450 -0.010947 0.013803 16H 1py -0.027532 -0.113614 0.014194 -0.005009 0.122105 -0.048838 17H 1s -0.025095 0.027465 -0.017322 0.007303 -0.060582 0.016122 17H 2s 0.091446 0.042754 0.098066 -0.022374 0.254291 -0.013821 17H 3s -0.005874 0.107308 0.090025 0.003010 -0.176253 0.024149 17H 1pz 0.012952 0.094225 -0.021879 0.102112 -0.096912 0.043006 17H 1px 0.023620 0.012776 0.094480 -0.037981 -0.040539 0.010068 17H 1py 0.086708 0.028430 0.076941 0.024617 -0.053715 0.005736 18H 1s -0.023510 -0.029431 -0.018686 0.006624 -0.058729 -0.016587 18H 2s 0.081116 -0.038329 0.097717 -0.013003 0.255251 0.016440 18H 3s -0.002633 -0.107590 0.085266 0.004846 -0.174785 -0.027043 18H 1pz -0.011919 0.091308 0.030276 -0.102715 0.092519 0.040631 18H 1px -0.023442 0.014175 -0.094600 0.036934 0.039429 0.011466 18H 1py -0.086478 0.030097 -0.071756 -0.027321 0.059725 0.005513 19H 1s -0.051716 -0.045119 -0.017052 0.007027 -0.050277 -0.017958 19H 2s 0.145632 0.310791 0.132315 -0.042564 0.219648 0.033995 19H 3s -0.164642 -0.095904 0.038086 0.018078 0.006821 0.029881 19H 1pz -0.065414 0.028620 0.002652 -0.017974 0.020143 0.011671 19H 1px 0.047571 0.038008 -0.094107 -0.097867 0.015169 0.013597 19H 1py 0.026188 -0.113074 -0.023637 0.004427 -0.119039 -0.046721 20H 1s -0.063595 -0.040266 0.082831 0.018935 -0.026017 0.103431 20H 2s 0.387202 0.224998 -0.401741 0.106959 0.151379 -0.376026 20H 3s -0.053003 0.006800 0.203868 -0.027676 0.318989 0.321673 20H 1pz -0.071597 -0.059767 -0.012650 -0.031074 -0.109771 -0.026462 20H 1px -0.111485 -0.026137 -0.039149 -0.026465 0.025340 0.118542 20H 1py 0.087437 0.071921 -0.027008 0.030362 0.119823 0.031044 21H 1s 0.063578 -0.004371 -0.109314 -0.038475 -0.013000 -0.170386 21H 2s -0.454859 0.011706 0.237414 0.007045 0.119990 0.719928 21H 3s 0.265224 0.087086 -0.251867 -0.119865 0.162175 -0.254835 21H 1pz 0.001061 -0.032869 0.023913 -0.000790 -0.087466 -0.056571 21H 1px 0.053701 0.009581 -0.031454 0.045644 -0.002757 -0.054594 21H 1py -0.056262 -0.001456 -0.017368 -0.120752 0.148863 0.145059 22H 1s -0.041060 -0.021286 0.056533 0.028323 -0.036060 0.071564 22H 2s 0.138000 0.070141 -0.074816 -0.173184 -0.080126 -0.323982 22H 3s -0.084643 -0.027362 -0.006853 0.087620 0.148030 0.131058 22H 1pz -0.081749 -0.033285 0.002547 -0.005380 -0.025236 0.079545 22H 1px -0.059832 -0.007534 -0.053656 0.011561 -0.046534 0.012687 22H 1py -0.023765 -0.041774 0.120373 -0.067163 0.009739 0.084054 23H 1s -0.069364 0.066550 -0.053751 0.110071 -0.020411 -0.190515 23H 2s 0.292579 -0.307863 0.211633 -0.302797 0.187873 0.741055 23H 3s -0.015384 -0.239171 -0.139854 0.268082 0.235997 -0.386538 23H 1pz -0.133608 0.196568 0.017121 -0.070468 -0.139894 -0.029126 23H 1px -0.070184 0.005908 -0.011653 -0.023013 0.035190 -0.048439 23H 1py -0.043874 0.095763 0.007780 0.011729 -0.060801 -0.026031 24H 1s 0.043483 0.045102 0.055653 -0.048435 0.028999 0.132426 24H 2s -0.393118 -0.213760 -0.282253 0.005449 -0.022717 -0.552760 24H 3s 0.324685 -0.320381 0.158144 -0.072265 0.457607 0.236533 24H 1pz 0.011118 0.166902 0.065418 0.054977 -0.121851 0.063484 24H 1px 0.033128 -0.038633 0.039152 -0.006090 0.082129 0.100765 24H 1py 0.000158 0.110664 0.069450 0.047167 -0.064687 0.116066 25H 1s 0.015262 0.015019 0.023504 -0.036871 -0.030553 0.044019 25H 2s -0.023995 0.032191 -0.170907 0.154149 -0.157759 -0.159315 25H 3s 0.012409 -0.178255 0.188837 -0.032301 0.177315 0.134633 25H 1pz -0.141208 0.087939 0.010951 -0.034299 0.010501 -0.026995 25H 1px -0.082609 0.063367 0.004045 0.004090 -0.017440 -0.000671 25H 1py -0.012462 0.075085 0.072340 0.001485 0.004727 0.147435 26O 1s -0.007276 -0.008331 0.004263 0.001596 -0.004990 -0.001544 26O 2s -0.022387 -0.024488 0.014829 0.006438 -0.011019 -0.003088 26O 3s 0.108323 0.099443 -0.099941 -0.058410 -0.039547 -0.016649 26O 4s -0.091157 -0.080031 0.194082 0.207912 0.554977 0.181174 26O 5s -0.802433 -0.766002 0.905011 0.263158 0.497031 0.100752 26O 1pz -0.027684 0.004280 -0.007845 -0.051543 -0.038704 -0.014401 26O 1px -0.001331 -0.027063 0.009778 -0.014211 0.014072 0.007232 26O 1py 0.006709 -0.028082 -0.022438 0.046379 -0.025805 -0.012244 26O 2pz 0.072800 0.008292 -0.022271 -0.006009 -0.084275 0.005975 26O 2px 0.174159 0.077731 -0.152614 -0.131802 -0.311246 -0.087243 26O 2py 0.057264 0.033332 -0.112418 -0.088016 -0.168488 -0.000925 26O 3pz -0.575035 0.035743 -0.011233 0.028652 0.056822 -0.233313 26O 3px 0.134770 0.352817 -0.726258 -0.395797 -0.980456 -0.226529 26O 3py -0.150039 0.169945 -0.091405 -0.014992 -0.317316 0.044871 26O 1dz2 -0.004291 -0.004439 0.001352 -0.001376 0.004706 -0.001221 26O 1dxz -0.001351 -0.000712 -0.004915 -0.004573 -0.008068 0.001200 26O 1dyz -0.002274 -0.005496 0.001563 0.004198 0.000110 -0.000818 26O 1dx2y2 -0.001602 0.001509 -0.001319 -0.003848 0.001575 0.000259 26O 1dxy 0.000573 -0.000659 -0.003494 -0.001540 -0.003820 -0.000465 26O 2dz2 -0.163685 -0.042631 -0.099286 -0.116891 -0.031674 0.047803 26O 2dxz 0.054701 -0.150478 -0.138680 -0.056675 -0.273529 0.163256 26O 2dyz -0.016541 -0.077908 0.154735 0.154235 -0.014959 0.067640 26O 2dx2y2 -0.270837 0.040710 0.028148 0.096652 0.206094 0.113171 26O 2dxy -0.033303 -0.006148 0.057319 -0.055460 0.064814 -0.100227 26O 1f0 0.000648 0.000674 -0.003147 0.007579 -0.002852 0.005376 26O 1f+1 0.000894 0.001156 0.004157 0.005083 0.004962 0.002967 26O 1f-1 0.002779 0.000366 -0.000854 -0.002534 -0.006235 0.002191 26O 1f+2 -0.003294 -0.000586 0.001933 0.006651 0.005432 -0.001403 26O 1f-2 0.002192 -0.000131 -0.004117 -0.003081 -0.003366 -0.001574 26O 1f+3 -0.003136 0.000434 0.001242 0.002546 0.002985 0.001251 26O 1f-3 -0.004269 0.000488 0.006524 -0.000524 0.009943 -0.000538 27O 1s -0.003027 -0.000148 -0.002744 0.004859 -0.006202 0.001612 27O 2s -0.008089 -0.000584 -0.010253 0.016930 -0.016638 0.004556 27O 3s 0.010220 0.006609 0.091313 -0.118453 0.024609 -0.018667 27O 4s 0.121549 -0.001329 -0.331594 0.243022 0.284939 0.041045 27O 5s 0.079008 -0.023164 -0.796908 1.133754 -0.262338 0.025130 27O 1pz -0.012314 0.010344 -0.025778 -0.058944 -0.036198 0.010536 27O 1px -0.000397 -0.014266 -0.008910 0.001699 -0.009806 0.017056 27O 1py -0.009453 -0.008288 -0.018557 -0.028280 0.018993 -0.034282 27O 2pz 0.053569 0.000787 0.016229 0.024508 -0.022403 0.026442 27O 2px -0.042916 0.015647 0.306526 -0.240844 -0.129252 -0.029894 27O 2py 0.025156 -0.031655 -0.126999 0.091715 0.039690 0.002070 27O 3pz -0.224235 -0.140498 -0.396659 0.035250 0.155127 0.209107 27O 3px -0.223214 0.152097 0.479824 -0.719673 -0.339441 0.060175 27O 3py 0.162330 0.043240 0.517610 0.016227 0.170288 0.184950 27O 1dz2 -0.001190 0.003677 -0.000632 -0.002149 0.001724 0.000031 27O 1dxz -0.001722 0.001723 0.001787 -0.003959 -0.002350 0.001419 27O 1dyz 0.003324 -0.000426 0.005756 -0.000130 -0.001136 -0.000686 27O 1dx2y2 -0.001959 0.001177 0.001978 -0.005462 0.001556 -0.002524 27O 1dxy -0.000445 -0.001501 -0.001721 0.001937 0.003648 -0.003911 27O 2dz2 -0.157558 0.086659 0.134532 -0.218864 0.019343 0.051472 27O 2dxz -0.072368 0.102753 0.316874 -0.024996 -0.126707 -0.145887 27O 2dyz 0.163280 0.063048 0.161445 -0.085113 -0.048477 0.113196 27O 2dx2y2 -0.168024 0.028742 -0.120252 -0.013950 0.125064 -0.095509 27O 2dxy -0.068168 -0.070791 -0.115994 0.005640 0.118361 -0.129291 27O 1f0 -0.002420 -0.002429 0.000677 0.002417 0.001601 -0.002763 27O 1f+1 0.003315 -0.003649 -0.003306 0.011494 0.001653 -0.002434 27O 1f-1 0.000640 0.001600 -0.004562 -0.007115 -0.000104 0.001318 27O 1f+2 -0.001231 -0.001945 -0.009387 0.002460 0.004015 0.000575 27O 1f-2 -0.002720 -0.000458 -0.008088 0.001020 0.001825 0.001261 27O 1f+3 0.002968 0.000352 -0.001348 0.004769 0.003843 0.001425 27O 1f-3 -0.003324 -0.001064 0.002293 -0.000722 -0.001351 -0.001192 28O 1s -0.001743 -0.003608 -0.000956 -0.002435 -0.005754 0.000245 28O 2s -0.002340 -0.007692 -0.005245 -0.009747 -0.016298 0.001675 28O 3s -0.050229 -0.053102 0.069496 0.094414 0.051811 -0.027831 28O 4s 0.378634 0.361132 -0.269552 -0.320360 -0.002493 0.105840 28O 5s 0.456530 2.000279 -0.464762 -0.937538 0.259693 0.344201 28O 1pz -0.052203 -0.009589 -0.003408 0.002050 -0.011528 -0.018088 28O 1px -0.036036 0.079124 0.008014 0.009648 -0.003033 -0.007698 28O 1py -0.002698 0.005897 0.043383 0.009131 -0.011907 -0.025202 28O 2pz -0.153886 -0.267875 0.119306 0.215623 0.087941 -0.046319 28O 2px 0.174194 0.337900 -0.156864 -0.204326 -0.026460 0.047390 28O 2py -0.041076 -0.037767 0.032299 0.007768 0.048485 -0.020153 28O 3pz -0.649220 -1.012512 0.485274 0.176883 -0.944915 -0.150041 28O 3px 0.594228 0.623527 -0.397891 -0.640062 -0.001297 0.247904 28O 3py -0.018365 -0.289615 0.050005 0.091555 -0.608391 -0.326775 28O 1dz2 -0.006737 -0.004043 0.001525 -0.002887 -0.003310 -0.001754 28O 1dxz 0.003603 0.006524 -0.002391 -0.004054 -0.000209 0.001350 28O 1dyz 0.002009 -0.001386 -0.000610 0.000539 -0.005553 -0.000951 28O 1dx2y2 -0.000019 -0.001666 -0.001035 -0.000070 -0.000046 0.003242 28O 1dxy 0.004675 0.003615 -0.002490 -0.004433 0.000173 -0.000099 28O 2dz2 -0.099089 -0.063118 0.090401 -0.236970 0.157025 -0.172396 28O 2dxz -0.110502 -0.256556 0.089004 -0.042771 0.012268 -0.024104 28O 2dyz 0.027395 -0.009580 -0.149059 0.066859 -0.045511 0.239754 28O 2dx2y2 0.089099 0.233139 -0.078390 -0.262738 -0.139382 0.010405 28O 2dxy 0.200142 0.022447 -0.022911 -0.150584 -0.105721 -0.180703 28O 1f0 0.006406 0.011532 -0.001125 -0.002926 0.004371 -0.002022 28O 1f+1 0.005962 0.010753 -0.001918 -0.005252 0.006544 0.000769 28O 1f-1 -0.005992 -0.004039 0.007214 0.004296 0.006789 -0.001127 28O 1f+2 -0.001721 -0.018016 0.006899 0.006257 -0.006960 -0.002243 28O 1f-2 -0.002043 -0.000539 -0.001664 -0.001019 0.000407 0.001385 28O 1f+3 -0.003816 -0.011089 0.003838 0.005768 0.000049 -0.004274 28O 1f-3 -0.002874 0.002875 -0.003036 0.000718 0.003132 0.005652 29O 1s -0.002791 0.001454 -0.002030 0.000630 -0.005202 0.000615 29O 2s -0.008691 0.005244 -0.006119 0.002003 -0.015483 0.002623 29O 3s 0.050291 -0.047203 0.025534 -0.012302 0.072742 -0.029596 29O 4s -0.008730 0.113554 0.031638 0.011796 0.074887 0.105395 29O 5s -0.436197 0.119294 -0.299536 0.061209 -0.906565 -0.119204 29O 1pz -0.012817 0.005573 0.002431 -0.005917 0.012283 -0.002715 29O 1px -0.002375 0.014827 -0.017013 -0.000831 0.014965 0.003074 29O 1py -0.011324 0.033741 -0.006498 -0.001307 -0.006286 0.015609 29O 2pz 0.054213 -0.006434 -0.000758 0.000898 -0.004782 0.002226 29O 2px -0.018277 0.017737 0.012325 0.006960 -0.058328 0.010921 29O 2py 0.045989 -0.053227 -0.016891 -0.007735 0.048626 -0.030802 29O 3pz -0.186033 -0.300083 0.064947 0.025984 0.002304 -0.039646 29O 3px 0.169643 -0.100215 -0.116951 -0.002313 0.304200 0.038855 29O 3py 0.024837 -0.021309 0.158228 -0.054383 0.155883 0.048714 29O 1dz2 -0.000681 -0.000770 -0.001789 0.002384 -0.000975 -0.000216 29O 1dxz 0.001350 0.000468 -0.002183 -0.001254 -0.003153 -0.000597 29O 1dyz 0.001031 0.000994 0.001593 -0.000255 -0.002245 0.000698 29O 1dx2y2 0.002947 -0.000377 0.004133 0.000065 0.002133 0.000230 29O 1dxy 0.000899 0.001055 -0.001431 0.000501 -0.000653 0.000621 29O 2dz2 -0.007028 0.061505 -0.020671 -0.012176 -0.037126 0.017502 29O 2dxz -0.042823 0.027654 -0.011520 0.017846 0.010110 -0.019660 29O 2dyz -0.048350 0.022874 -0.018765 0.015092 0.084484 -0.017504 29O 2dx2y2 -0.006738 -0.057850 -0.050965 -0.012792 0.018182 -0.010937 29O 2dxy -0.044254 0.032598 -0.018265 0.012651 -0.004144 -0.014106 29O 1f0 0.005197 -0.002759 0.000995 -0.001241 0.007365 -0.001709 29O 1f+1 -0.002998 0.002261 -0.000620 0.002070 -0.003048 0.001150 29O 1f-1 0.005873 -0.003982 0.001461 0.000289 0.005360 -0.002248 29O 1f+2 -0.003172 0.002041 -0.001305 -0.000139 -0.004778 0.000588 29O 1f-2 0.000942 -0.005170 0.001795 -0.002110 0.004139 -0.002021 29O 1f+3 -0.003979 0.001328 -0.002147 0.000033 -0.004599 0.000849 29O 1f-3 -0.001286 0.002307 0.000690 0.000173 -0.002329 0.000724 30O 1s 0.000011 0.001736 0.001821 -0.000885 -0.004985 0.002593 30O 2s 0.002397 0.003703 0.007082 -0.004859 -0.010894 0.006316 30O 3s -0.060128 0.018621 -0.065910 0.059577 -0.037204 0.003442 30O 4s 0.269051 -0.176893 0.314656 -0.204093 0.408475 -0.165554 30O 5s 0.581618 -0.307877 -0.032424 -0.417848 0.594721 -0.285120 30O 1pz -0.047765 0.011479 0.010919 0.005519 -0.003404 -0.001647 30O 1px -0.027809 -0.052077 -0.031398 0.024994 -0.013736 -0.023658 30O 1py -0.015164 -0.000104 0.033365 -0.030827 0.021894 -0.023615 30O 2pz -0.092975 0.043966 -0.098739 0.102017 -0.072383 0.028502 30O 2px 0.113999 -0.094973 0.106757 -0.098093 0.192383 -0.093655 30O 2py 0.118072 -0.052863 0.140430 -0.051777 0.086891 -0.014995 30O 3pz -0.474816 0.178354 -0.132278 0.178585 -0.996591 0.038599 30O 3px 0.471505 0.102711 0.546611 -0.410002 0.280090 -0.052391 30O 3py 0.345984 -0.316303 -0.066668 -0.558087 1.088644 -0.444570 30O 1dz2 -0.004985 0.001112 -0.003907 -0.002086 -0.001035 -0.001684 30O 1dxz 0.000116 0.001693 0.003267 -0.002091 0.000171 -0.002339 30O 1dyz 0.004043 -0.002665 -0.001683 0.000151 0.005526 -0.000015 30O 1dx2y2 0.001260 0.003282 0.003162 -0.005152 0.001701 -0.000763 30O 1dxy -0.002801 0.000928 -0.005120 0.004033 -0.002588 -0.000890 30O 2dz2 -0.050420 -0.037260 -0.343543 -0.122681 -0.010008 0.228525 30O 2dxz -0.163906 0.126655 -0.044659 -0.052048 -0.122224 -0.063554 30O 2dyz -0.042116 -0.006267 0.051704 0.221152 -0.068139 -0.025818 30O 2dx2y2 0.084916 0.051156 0.188708 -0.196529 -0.086828 0.099664 30O 2dxy -0.103046 -0.093478 -0.020616 -0.025070 0.011296 -0.163130 30O 1f0 0.008039 -0.004015 0.005690 -0.006019 0.009279 0.001762 30O 1f+1 0.004646 -0.002927 -0.005256 -0.000496 0.001787 0.003127 30O 1f-1 -0.002851 0.001657 0.003430 -0.002168 0.000747 -0.002959 30O 1f+2 -0.001627 0.003710 0.005312 -0.002847 -0.005117 -0.001075 30O 1f-2 -0.006806 0.005366 0.004330 0.004380 -0.012280 0.003345 30O 1f+3 -0.002988 0.000270 -0.004672 0.001457 0.006185 -0.002917 30O 1f-3 -0.000670 0.001166 -0.001084 0.004474 -0.010268 0.007165 31O 1s 0.000097 -0.001804 0.001773 -0.000936 -0.005027 -0.002711 31O 2s 0.002590 -0.003909 0.006932 -0.005052 -0.011518 -0.006804 31O 3s -0.059488 -0.017526 -0.065066 0.061278 -0.023852 0.001767 31O 4s 0.262665 0.172925 0.312564 -0.210169 0.344926 0.145650 31O 5s 0.564748 0.331411 -0.043457 -0.424572 0.441005 0.244206 31O 1pz 0.047051 0.011352 -0.010097 -0.006081 0.001451 -0.001393 31O 1px 0.028986 -0.052781 0.031149 -0.024551 0.015943 -0.022676 31O 1py 0.015697 0.000353 -0.033783 0.030747 -0.021291 -0.023932 31O 2pz 0.090698 0.043435 0.095774 -0.104408 0.046614 0.018882 31O 2px -0.110676 -0.094225 -0.103757 0.101493 -0.153381 -0.081028 31O 2py -0.115358 -0.050634 -0.137574 0.054753 -0.058838 -0.004272 31O 3pz 0.464912 0.182751 0.139140 -0.173649 0.981253 0.034153 31O 3px -0.468844 0.104931 -0.534447 0.413360 -0.200820 -0.026881 31O 3py -0.334075 -0.326918 0.045142 0.550042 -1.090353 -0.455190 31O 1dz2 -0.004996 -0.000994 -0.003982 -0.002110 -0.001077 0.001677 31O 1dxz 0.000098 -0.001652 0.003133 -0.002084 -0.000204 0.002243 31O 1dyz 0.003952 0.002756 -0.001625 0.000166 0.005345 0.000110 31O 1dx2y2 0.001191 -0.003284 0.003145 -0.005079 0.001987 0.000958 31O 1dxy -0.002771 -0.000888 -0.005075 0.004015 -0.002269 0.001071 31O 2dz2 -0.049135 0.046805 -0.342505 -0.123089 -0.003237 -0.226513 31O 2dxz -0.159938 -0.122300 -0.045480 -0.051508 -0.108891 0.070208 31O 2dyz -0.040876 0.005236 0.051160 0.222724 -0.055316 0.030873 31O 2dx2y2 0.083475 -0.056744 0.184095 -0.197161 -0.088351 -0.106384 31O 2dxy -0.105543 0.095314 -0.018755 -0.025197 -0.000113 0.163323 31O 1f0 -0.007861 -0.003897 -0.005674 0.006077 -0.008393 0.002209 31O 1f+1 -0.004626 -0.003008 0.005099 0.000496 -0.001923 0.003089 31O 1f-1 0.002849 0.001717 -0.003339 0.002188 -0.000573 -0.002773 31O 1f+2 0.001585 0.003903 -0.005313 0.002806 0.004848 -0.001136 31O 1f-2 0.006634 0.005550 -0.004356 -0.004518 0.010926 0.002933 31O 1f+3 0.003036 0.000146 0.004652 -0.001431 -0.006006 -0.002918 31O 1f-3 0.000461 0.001262 0.001042 -0.004478 0.009652 0.007010 32O 1s -0.002705 -0.001617 -0.002068 0.000561 -0.005165 -0.000638 32O 2s -0.008454 -0.005753 -0.006263 0.001780 -0.015320 -0.002683 32O 3s 0.049633 0.050101 0.026948 -0.010921 0.070916 0.029740 32O 4s -0.011564 -0.115270 0.027713 0.009524 0.081841 -0.103966 32O 5s -0.423740 -0.136628 -0.300294 0.057508 -0.916046 0.112632 32O 1pz 0.013362 0.005415 -0.003620 0.006501 -0.013184 -0.002745 32O 1px 0.002517 0.014068 0.016995 0.001517 -0.016020 0.002921 32O 1py 0.011051 0.034797 0.007690 0.002536 0.005119 0.015972 32O 2pz -0.055713 -0.007476 0.001199 -0.003460 0.002940 0.003039 32O 2px 0.017418 0.019102 -0.011677 -0.007868 0.057509 0.011606 32O 2py -0.046412 -0.056227 0.015253 0.006405 -0.046252 -0.031281 32O 3pz 0.183924 -0.299110 -0.077639 -0.026299 0.014518 -0.035475 32O 3px -0.169333 -0.107087 0.114116 0.010809 -0.308709 0.034324 32O 3py -0.019842 -0.027964 -0.158265 0.050679 -0.163659 0.048523 32O 1dz2 -0.000695 0.000879 -0.001813 0.002305 -0.000873 0.000280 32O 1dxz 0.001316 -0.000481 -0.002204 -0.001371 -0.003171 0.000614 32O 1dyz 0.001083 -0.001007 0.001470 -0.000172 -0.002271 -0.000648 32O 1dx2y2 0.002877 0.000453 0.004136 0.000062 0.002110 -0.000179 32O 1dxy 0.000937 -0.000896 -0.001502 0.000497 -0.000711 -0.000606 32O 2dz2 -0.003731 -0.061648 -0.018943 -0.015703 -0.033901 -0.018193 32O 2dxz -0.040533 -0.028289 -0.014922 0.015661 0.003792 0.019796 32O 2dyz -0.050138 -0.027263 -0.020289 0.012296 0.085010 0.018284 32O 2dx2y2 -0.004073 0.060728 -0.049944 -0.014539 0.017089 0.011422 32O 2dxy -0.048772 -0.030117 -0.019176 0.018801 -0.008657 0.014005 32O 1f0 -0.004860 -0.002695 -0.000994 0.001112 -0.007078 -0.001596 32O 1f+1 0.003157 0.002596 0.000726 -0.002154 0.003196 0.001279 32O 1f-1 -0.006122 -0.004346 -0.001590 -0.000465 -0.005647 -0.002303 32O 1f+2 0.003446 0.002522 0.001440 0.000178 0.005070 0.000740 32O 1f-2 -0.000716 -0.005042 -0.001952 0.002212 -0.003568 -0.002014 32O 1f+3 0.003878 0.001312 0.002154 0.000029 0.004272 0.000846 32O 1f-3 0.001127 0.002384 -0.000621 -0.000175 0.002002 0.000729 33O 1s -0.001702 0.003522 -0.000843 -0.002379 -0.005752 -0.000178 33O 2s -0.002177 0.007508 -0.004872 -0.009509 -0.015936 -0.001372 33O 3s -0.051813 0.052111 0.067819 0.091722 0.042463 0.024240 33O 4s 0.383898 -0.348285 -0.264789 -0.309299 0.043899 -0.093732 33O 5s 0.471109 -2.021994 -0.492884 -0.908716 0.371359 -0.313070 33O 1pz 0.051882 -0.009037 0.003779 -0.003530 0.012183 -0.018533 33O 1px 0.035753 0.080197 -0.005923 -0.009849 -0.000431 -0.008108 33O 1py 0.003031 0.009248 -0.042893 -0.009644 0.011382 -0.024370 33O 2pz 0.156554 -0.263595 -0.119069 -0.208391 -0.060942 -0.038332 33O 2px -0.176717 0.334637 0.157899 0.196518 -0.004947 0.039328 33O 2py 0.041789 -0.036959 -0.032339 -0.006937 -0.044444 -0.018453 33O 3pz 0.657018 -1.000744 -0.510458 -0.178549 0.938325 -0.134422 33O 3px -0.601689 0.612909 0.397954 0.625043 -0.053509 0.231067 33O 3py 0.020245 -0.285717 -0.064307 -0.100018 0.580102 -0.338025 33O 1dz2 -0.006765 0.003992 0.001587 -0.002786 -0.003242 0.001704 33O 1dxz 0.003614 -0.006430 -0.002507 -0.003915 0.000287 -0.001327 33O 1dyz 0.002020 0.001367 -0.000572 0.000614 -0.005636 0.000958 33O 1dx2y2 -0.000066 0.001827 -0.001063 -0.000167 -0.000299 -0.003353 33O 1dxy 0.004714 -0.003509 -0.002558 -0.004408 0.000269 0.000181 33O 2dz2 -0.098249 0.055870 0.095763 -0.237878 0.157003 0.175803 33O 2dxz -0.113222 0.258080 0.091951 -0.044088 -0.003349 0.018897 33O 2dyz 0.028829 0.012286 -0.147401 0.066484 -0.046134 -0.239289 33O 2dx2y2 0.088955 -0.225299 -0.081753 -0.261091 -0.127722 -0.006929 33O 2dxy 0.200448 -0.023148 -0.021751 -0.149689 -0.103143 0.187444 33O 1f0 -0.006469 0.011643 0.001352 0.002863 -0.004616 -0.002221 33O 1f+1 -0.006031 0.010743 0.002003 0.005153 -0.006906 0.000487 33O 1f-1 0.006017 -0.003790 -0.007232 -0.004220 -0.006527 -0.000956 33O 1f+2 0.001830 -0.017940 -0.007178 -0.006033 0.007981 -0.001810 33O 1f-2 0.002037 -0.000465 0.001603 0.000951 -0.000681 0.001320 33O 1f+3 0.003871 -0.010983 -0.004056 -0.005603 0.000549 -0.004168 33O 1f-3 0.002882 0.002784 0.003184 -0.000652 -0.003042 0.005740 34O 1s -0.002908 0.000250 -0.002756 0.004806 -0.006364 -0.001707 34O 2s -0.007795 0.000910 -0.010176 0.016796 -0.016659 -0.004728 34O 3s 0.010334 -0.008502 0.088621 -0.118360 0.014470 0.016960 34O 4s 0.115667 0.005317 -0.317934 0.246027 0.341388 -0.023075 34O 5s 0.066032 0.057128 -0.774440 1.128719 -0.095635 -0.006254 34O 1pz 0.012543 0.009805 0.026680 0.058979 0.034425 0.010782 34O 1px -0.000211 -0.015086 0.009630 -0.000932 0.014451 0.016856 34O 1py 0.009711 -0.009466 0.017860 0.028037 -0.017252 -0.035520 34O 2pz -0.053546 0.002607 -0.016932 -0.024891 0.019234 0.026651 34O 2px 0.038374 0.020762 -0.296498 0.242518 0.182907 -0.017947 34O 2py -0.024472 -0.035049 0.124433 -0.091817 -0.051608 -0.000806 34O 3pz 0.222852 -0.158725 0.386437 -0.038270 -0.192930 0.206429 34O 3px 0.211588 0.174589 -0.465315 0.715183 0.401969 0.085854 34O 3py -0.157163 0.057613 -0.511019 -0.009339 -0.135294 0.184898 34O 1dz2 -0.001236 -0.003628 -0.000733 -0.002114 0.002077 0.000037 34O 1dxz -0.001694 -0.001842 0.001734 -0.003946 -0.002241 -0.001492 34O 1dyz 0.003291 0.000227 0.005814 -0.000085 -0.001148 0.000472 34O 1dx2y2 -0.001977 -0.001237 0.001856 -0.005486 0.000936 0.002324 34O 1dxy -0.000519 0.001720 -0.001651 0.001958 0.003844 0.004045 34O 2dz2 -0.155166 -0.087207 0.128565 -0.219755 0.005993 -0.054611 34O 2dxz -0.071075 -0.112090 0.315064 -0.025628 -0.135649 0.142855 34O 2dyz 0.164903 -0.070004 0.157959 -0.083748 -0.048682 -0.114017 34O 2dx2y2 -0.170944 -0.025958 -0.117979 -0.012848 0.146238 0.098829 34O 2dxy -0.068221 0.077025 -0.115526 0.006779 0.114694 0.130499 34O 1f0 0.002424 -0.002424 -0.000719 -0.002364 -0.001244 -0.002874 34O 1f+1 -0.003185 -0.003646 0.002999 -0.011494 -0.002862 -0.002586 34O 1f-1 -0.000625 0.001440 0.004715 0.007123 0.000399 0.001286 34O 1f+2 0.001282 -0.002199 0.009359 -0.002456 -0.004406 0.000312 34O 1f-2 0.002728 -0.000689 0.008060 -0.001036 -0.002177 0.001086 34O 1f+3 -0.002780 0.000348 0.001227 -0.004787 -0.005006 0.001356 34O 1f-3 0.003163 -0.001209 -0.002207 0.000710 0.002037 -0.001154 35O 1s -0.007243 0.008099 0.004542 0.001693 -0.005029 0.001534 35O 2s -0.022272 0.023856 0.015585 0.006624 -0.011562 0.003063 35O 3s 0.107485 -0.098152 -0.101498 -0.057069 -0.027915 0.016403 35O 4s -0.087966 0.088386 0.188618 0.196606 0.501917 -0.180006 35O 5s -0.805673 0.734164 0.896194 0.232850 0.361029 -0.102293 35O 1pz 0.027603 0.005149 0.008830 0.050932 0.038589 -0.014880 35O 1px 0.001068 -0.028202 -0.011272 0.013602 -0.019004 0.007109 35O 1py -0.006892 -0.026961 0.021199 -0.047226 0.023854 -0.013370 35O 2pz -0.072794 0.006265 0.020577 0.005825 0.078383 0.005249 35O 2px -0.173380 0.078609 0.145752 0.122557 0.266914 -0.086257 35O 2py -0.056414 0.030115 0.109582 0.084622 0.148994 -0.000825 35O 3pz 0.575153 0.069594 0.025345 -0.023135 -0.010020 -0.235995 35O 3px -0.135842 0.354429 0.725209 0.378497 0.932093 -0.230526 35O 3py 0.149298 0.193856 0.104036 0.013438 0.321263 0.051397 35O 1dz2 -0.004331 0.004441 0.001387 -0.001414 0.004509 0.001214 35O 1dxz -0.001321 0.000798 -0.004867 -0.004508 -0.007995 -0.001084 35O 1dyz -0.002228 0.005375 0.001744 0.004210 0.000154 0.000765 35O 1dx2y2 -0.001627 -0.001487 -0.001312 -0.003779 0.001901 -0.000299 35O 1dxy 0.000575 0.000662 -0.003374 -0.001459 -0.003508 0.000561 35O 2dz2 -0.165317 0.048164 -0.095553 -0.116276 -0.023172 -0.045417 35O 2dxz 0.054629 0.160851 -0.132757 -0.056366 -0.271178 -0.165392 35O 2dyz -0.014782 0.072548 0.156655 0.151769 -0.016878 -0.070197 35O 2dx2y2 -0.272852 -0.042716 0.021419 0.092102 0.189841 -0.116247 35O 2dxy -0.034166 0.006791 0.056536 -0.058028 0.049000 0.103189 35O 1f0 -0.000673 0.000375 0.003139 -0.007491 0.003101 0.005331 35O 1f+1 -0.000923 0.000977 -0.003994 -0.004907 -0.004235 0.002903 35O 1f-1 -0.002809 0.000188 0.000913 0.002580 0.006610 0.002014 35O 1f+2 0.003292 -0.000321 -0.001903 -0.006661 -0.005339 -0.001326 35O 1f-2 -0.002177 -0.000157 0.004030 0.002957 0.002933 -0.001595 35O 1f+3 0.003165 0.000395 -0.001070 -0.002479 -0.002378 0.001186 35O 1f-3 0.004295 0.000328 -0.006219 0.000768 -0.008682 -0.000676 360 361 362 363 364 365 1.86446 1.86928 1.87931 1.88896 1.89490 1.89530 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s 0.000153 -0.000749 0.000778 0.000720 -0.000246 0.000780 0Rh 2s -0.000621 0.001947 -0.001558 -0.003443 0.001150 -0.002743 0Rh 3s 0.000520 -0.003212 0.003620 0.002128 -0.000740 0.002908 0Rh 4s 0.003000 -0.009268 0.007364 0.016974 -0.005654 0.013312 0Rh 5s -0.002641 0.000375 0.004210 -0.022034 0.007139 -0.009984 0Rh 6s -0.009815 0.061619 -0.064042 -0.019581 0.006673 -0.047733 0Rh 7s 0.090204 -0.173178 -0.139503 0.100982 -0.145170 0.231958 0Rh 8s 0.055173 0.038055 -0.136804 -0.037544 0.168640 -0.032673 0Rh 1pz 0.005307 0.001940 -0.005136 -0.010607 0.002785 0.019530 0Rh 1px 0.002559 0.003883 -0.009969 0.007175 0.004370 0.002436 0Rh 1py -0.008464 -0.012385 0.007430 0.007997 -0.011126 0.011243 0Rh 2pz -0.017820 -0.006628 0.017580 0.035882 -0.009714 -0.066443 0Rh 2px -0.008555 -0.013197 0.033595 -0.025278 -0.014921 -0.008126 0Rh 2py 0.028950 0.041855 -0.025195 -0.027154 0.037290 -0.038274 0Rh 3pz -0.002416 0.001399 -0.003427 -0.001009 0.004797 0.004362 0Rh 3px -0.002118 0.000260 0.005272 0.019549 0.002488 -0.003093 0Rh 3py -0.006372 0.004078 0.000470 0.002102 0.006164 0.004457 0Rh 4pz 0.114867 0.033795 -0.097168 -0.205213 0.047828 0.403216 0Rh 4px 0.059728 0.086030 -0.240978 0.085501 0.082601 0.064472 0Rh 4py -0.151318 -0.288393 0.154222 0.154873 -0.240371 0.215595 0Rh 5pz -0.171642 -0.042680 0.151467 0.293664 -0.095089 -0.687029 0Rh 5px -0.094359 -0.170780 0.470750 -0.148633 -0.138310 -0.107536 0Rh 5py 0.235715 0.518920 -0.248203 -0.232165 0.345587 -0.334114 0Rh 6pz 0.279330 -0.100075 0.191767 -0.835156 -0.081433 1.275259 0Rh 6px 0.193673 0.355137 -1.283692 0.007142 0.526274 0.092097 0Rh 6py -0.474165 -0.339600 0.664456 0.489388 -0.870080 0.720109 0Rh 1dz2 0.004026 0.005228 0.007455 -0.009996 -0.000978 -0.000342 0Rh 1dxz -0.003953 0.001049 0.007287 -0.004324 -0.000134 -0.008691 0Rh 1dyz 0.008542 0.000962 0.000446 0.005169 -0.004175 0.003373 0Rh 1dx2y2 -0.004115 0.005522 0.005362 0.006827 -0.004314 -0.006495 0Rh 1dxy 0.003316 0.009093 -0.001527 0.001204 0.005775 -0.002795 0Rh 2dz2 -0.002185 -0.002485 -0.003621 0.002433 0.000762 -0.000730 0Rh 2dxz 0.000314 0.000306 -0.001393 0.001554 0.000031 0.001462 0Rh 2dyz -0.005757 -0.004669 -0.002844 -0.001260 0.001801 -0.002124 0Rh 2dx2y2 0.000093 -0.003177 -0.000414 -0.002625 0.000451 0.001821 0Rh 2dxy -0.001420 -0.001989 0.000072 -0.001128 -0.000227 0.000491 0Rh 3dz2 -0.000071 -0.002004 -0.002668 0.014261 -0.001011 0.004098 0Rh 3dxz 0.008560 -0.003982 -0.011994 0.003928 0.000192 0.015580 0Rh 3dyz 0.004895 0.018509 0.011646 -0.007330 0.002428 0.000976 0Rh 3dx2y2 0.009952 0.000178 -0.011680 -0.005297 0.008869 0.008318 0Rh 3dxy -0.001627 -0.013598 0.003702 0.002192 -0.013496 0.004999 0Rh 4dz2 -0.043289 -0.041366 -0.058506 0.039732 0.013336 -0.011170 0Rh 4dxz 0.005185 0.004832 -0.025260 0.024649 0.000140 0.019675 0Rh 4dyz -0.111991 -0.078993 -0.048376 -0.023666 0.029548 -0.035653 0Rh 4dx2y2 -0.000459 -0.049824 -0.005012 -0.044829 0.007487 0.027942 0Rh 4dxy -0.032104 -0.038872 -0.002621 -0.021473 -0.006048 0.004959 0Rh 5dz2 0.374134 0.221964 0.296490 -0.140628 -0.067854 0.057640 0Rh 5dxz -0.023440 -0.040050 0.113653 -0.082170 0.020333 -0.009581 0Rh 5dyz 0.937103 0.510879 0.309318 0.182666 -0.138999 0.221577 0Rh 5dx2y2 0.071153 0.246116 -0.024080 0.215276 -0.040300 -0.090686 0Rh 5dxy 0.323610 0.217158 0.071397 0.140110 0.034890 0.023107 0Rh 1f0 -0.058802 -0.013558 -0.034592 0.084881 -0.078208 0.043387 0Rh 1f+1 0.063550 0.038000 0.051899 -0.067878 -0.020272 0.138627 0Rh 1f-1 -0.019214 -0.030624 -0.020345 -0.066157 -0.141053 0.086556 0Rh 1f+2 -0.111120 -0.060385 0.013390 0.144372 -0.003439 -0.072869 0Rh 1f-2 0.027381 0.112424 0.147885 0.088367 -0.175580 0.114031 0Rh 1f+3 0.054562 -0.021457 0.006102 -0.122142 0.074922 -0.010284 0Rh 1f-3 -0.041714 -0.085508 0.024310 0.000735 -0.069577 0.037966 1Rh 1s 0.000062 -0.000792 0.000803 -0.000658 0.000627 0.000614 1Rh 2s 0.000002 0.002160 -0.001674 0.003226 -0.002441 -0.002111 1Rh 3s 0.000365 -0.003331 0.003696 -0.001894 0.002191 0.002315 1Rh 4s -0.000057 -0.010312 0.007934 -0.015921 0.011906 0.010231 1Rh 5s 0.002052 0.001735 0.003538 0.021323 -0.011341 -0.007181 1Rh 6s -0.008513 0.062899 -0.065050 0.015290 -0.031336 -0.039277 1Rh 7s 0.037982 -0.184145 -0.130378 -0.071740 0.249536 0.144065 1Rh 8s -0.086333 0.031317 -0.134665 0.037047 -0.174840 0.048612 1Rh 1pz 0.006691 -0.001856 0.005013 -0.012001 -0.005995 -0.018434 1Rh 1px 0.002081 -0.003503 0.009789 0.006532 0.002656 -0.004744 1Rh 1py -0.009392 0.011608 -0.006708 0.008119 -0.014752 -0.006076 1Rh 2pz -0.022492 0.006367 -0.017184 0.040637 0.020186 0.062817 1Rh 2px -0.007011 0.011899 -0.032986 -0.023111 -0.009144 0.016085 1Rh 2py 0.032077 -0.039208 0.022749 -0.027566 0.049687 0.020945 1Rh 3pz -0.002829 -0.001855 0.003791 -0.001602 0.002277 -0.005732 1Rh 3px -0.000516 0.000026 -0.005251 0.019808 0.003242 0.000183 1Rh 3py -0.005894 -0.004433 -0.000404 0.002053 0.003722 -0.007109 1Rh 4pz 0.146154 -0.030624 0.093654 -0.232936 -0.131809 -0.378062 1Rh 4px 0.043722 -0.079236 0.237305 0.070680 0.043155 -0.102526 1Rh 4py -0.173501 0.273769 -0.139625 0.157817 -0.306953 -0.104328 1Rh 5pz -0.225400 0.038155 -0.146727 0.340443 0.211959 0.652604 1Rh 5px -0.066758 0.160102 -0.465377 -0.122902 -0.074161 0.171785 1Rh 5py 0.275368 -0.496386 0.225531 -0.237690 0.449863 0.172917 1Rh 6pz 0.317114 0.102095 -0.213060 -0.907119 -0.649136 -1.081328 1Rh 6px 0.131819 -0.340290 1.275949 -0.038522 0.439928 -0.334664 1Rh 6py -0.489165 0.295002 -0.616155 0.495369 -1.107839 -0.300411 1Rh 1dz2 -0.003876 0.005044 0.007624 0.009871 0.000832 -0.001105 1Rh 1dxz 0.004467 0.001407 0.007310 0.003675 -0.003407 -0.007962 1Rh 1dyz -0.008652 0.000326 0.000366 -0.004876 0.006110 0.001193 1Rh 1dx2y2 0.003037 0.005622 0.005354 -0.007511 0.001152 -0.006837 1Rh 1dxy -0.004394 0.008680 -0.001325 -0.001388 -0.006121 -0.000223 1Rh 2dz2 0.002092 -0.002344 -0.003674 -0.002393 -0.001022 -0.000192 1Rh 2dxz -0.000391 0.000249 -0.001398 -0.001453 0.000562 0.001432 1Rh 2dyz 0.005998 -0.004224 -0.002831 0.001217 -0.002571 -0.001151 1Rh 2dx2y2 0.000417 -0.003119 -0.000405 0.002798 0.000398 0.001533 1Rh 2dxy 0.001681 -0.001843 0.000084 0.001220 0.000461 0.000259 1Rh 3dz2 0.000080 -0.002191 -0.002860 -0.014125 0.002520 0.003579 1Rh 3dxz -0.009496 -0.004633 -0.012028 -0.002735 0.006177 0.013859 1Rh 3dyz -0.005701 0.018073 0.011799 0.006785 -0.003845 0.002103 1Rh 3dx2y2 -0.009486 -0.000336 -0.011698 0.006257 -0.004650 0.010477 1Rh 3dxy 0.003156 -0.013237 0.003141 -0.002130 0.013410 -0.000439 1Rh 4dz2 0.042266 -0.038503 -0.059414 -0.039031 -0.017133 -0.001925 1Rh 4dxz -0.006587 0.003925 -0.025372 -0.023204 0.007559 0.019203 1Rh 4dyz 0.116140 -0.070411 -0.048485 0.022963 -0.043009 -0.019725 1Rh 4dx2y2 0.008032 -0.048755 -0.004924 0.047462 0.005529 0.023304 1Rh 4dxy 0.036591 -0.035848 -0.002466 0.022841 0.008006 0.000431 1Rh 5dz2 -0.373181 0.195382 0.302091 0.136582 0.087152 0.012058 1Rh 5dxz 0.030149 -0.036531 0.113989 0.081139 -0.017488 -0.002950 1Rh 5dyz -0.964371 0.440105 0.315278 -0.179860 0.225388 0.146229 1Rh 5dx2y2 -0.103069 0.237015 -0.023749 -0.224122 -0.004676 -0.075865 1Rh 5dxy -0.344191 0.190833 0.071287 -0.145839 -0.023547 0.044318 1Rh 1f0 -0.059214 0.008846 0.039462 0.083767 -0.091413 -0.008997 1Rh 1f+1 0.061075 -0.033392 -0.053361 -0.073960 -0.073751 -0.111983 1Rh 1f-1 -0.017791 0.025516 0.021540 -0.070335 -0.173427 -0.015478 1Rh 1f+2 -0.115382 0.052601 -0.007038 0.149255 0.024726 0.061409 1Rh 1f-2 0.031446 -0.111797 -0.142714 0.091209 -0.197920 -0.035705 1Rh 1f+3 0.051960 0.025116 -0.010359 -0.124417 0.070512 -0.013962 1Rh 1f-3 -0.047155 0.080990 -0.023542 -0.001694 -0.087267 -0.002345 2C 1s -0.007304 0.003177 0.000540 -0.000373 0.003694 0.000052 2C 2s -0.025989 0.012143 0.003109 0.002646 0.020055 -0.000260 2C 3s 0.410196 -0.262993 -0.342090 -0.246423 -0.596455 -0.022750 2C 4s -1.426643 1.093747 2.050856 1.334713 2.663505 0.192373 2C 5s 0.424076 0.085335 -0.604731 -0.110147 -0.080867 -0.148730 2C 1pz 0.072117 -0.085573 0.112419 0.113336 0.000960 -0.052298 2C 1px 0.003054 0.049920 0.144860 0.129612 0.069065 -0.001175 2C 1py 0.038121 0.070398 -0.091985 -0.047691 -0.022431 0.020139 2C 2pz -0.732604 0.689106 0.648238 0.366307 1.172785 0.227040 2C 2px 0.219836 -0.204731 -0.379457 -0.210596 0.070430 0.107125 2C 2py -0.314218 0.006506 1.002082 0.640351 0.897917 -0.007840 2C 3pz -0.127624 0.120910 0.013153 0.083564 0.169513 -0.062963 2C 3px 0.029779 0.117230 0.100796 0.161924 0.231179 -0.037723 2C 3py -0.045667 0.025508 -0.107770 -0.059722 0.088186 -0.044461 2C 1dz2 0.018964 -0.012521 -0.016512 -0.020786 -0.032067 -0.016722 2C 1dxz -0.005980 0.011613 0.041611 0.002303 0.009308 0.012102 2C 1dyz 0.014776 -0.026374 -0.059582 -0.041792 -0.066045 0.000338 2C 1dx2y2 0.003234 -0.018294 0.016243 0.004094 0.010425 -0.018584 2C 1dxy -0.008553 0.021750 -0.026128 -0.027029 -0.020751 0.026999 2C 2dz2 -0.338846 0.220672 0.284316 0.169762 0.438836 0.027939 2C 2dxz 0.112484 0.000518 0.138904 0.128499 0.221583 0.089985 2C 2dyz -0.318053 0.188435 0.494383 0.353094 0.709911 0.042308 2C 2dx2y2 0.106063 -0.101252 -0.231449 -0.140862 -0.190167 -0.003933 2C 2dxy 0.085921 0.030356 -0.008137 0.046342 0.143302 0.055104 2C 1f0 -0.002165 -0.031256 0.046979 0.019288 0.027777 -0.041403 2C 1f+1 0.009881 0.022286 -0.031960 -0.015578 0.009951 0.024139 2C 1f-1 -0.018920 0.044643 0.070332 0.048812 0.055231 0.015895 2C 1f+2 0.019887 -0.003381 -0.027350 -0.028769 -0.039547 0.009770 2C 1f-2 0.001168 0.012565 0.099811 0.053066 0.065146 0.007314 2C 1f+3 0.029433 -0.034225 0.019144 0.004205 -0.008567 -0.008578 2C 1f-3 0.006966 -0.017476 -0.054154 -0.020101 -0.016068 0.001235 3C 1s 0.006574 -0.006557 -0.002272 0.002537 -0.001007 0.001332 3C 2s 0.018956 -0.023967 -0.008844 0.015546 -0.009644 0.006251 3C 3s -0.232619 0.573665 0.089588 -0.487527 0.355050 -0.120670 3C 4s 0.779318 -2.580621 -0.116399 2.156214 -1.618904 0.453887 3C 5s -0.668226 0.381796 -0.665669 -0.084798 0.051493 0.211458 3C 1pz -0.030106 0.148012 0.017160 -0.014232 -0.012555 -0.091096 3C 1px 0.001178 0.003761 0.050036 0.096792 -0.101908 -0.155158 3C 1py 0.052467 0.071917 -0.076261 -0.004159 -0.003367 -0.062936 3C 2pz 0.266064 -1.165937 0.024444 0.620893 -0.399714 0.370157 3C 2px -0.316101 -0.222010 -0.227394 0.016743 0.054869 0.704841 3C 2py -0.294364 0.763985 0.135355 -0.997903 0.849266 0.056679 3C 3pz 0.067185 0.149150 0.036138 -0.031678 0.002018 -0.032521 3C 3px -0.113239 -0.101546 -0.120826 0.215046 -0.059263 0.088558 3C 3py 0.008491 0.210825 0.193407 -0.170426 0.152744 -0.103930 3C 1dz2 -0.007663 -0.005698 0.007592 0.013727 -0.009186 0.009625 3C 1dxz 0.017739 0.009198 0.000440 -0.000492 -0.024198 -0.051871 3C 1dyz 0.003538 -0.069756 0.002526 0.057840 -0.045238 0.008460 3C 1dx2y2 0.006180 0.001119 0.008893 0.020047 -0.035535 -0.018962 3C 1dxy -0.013614 0.009663 0.012209 0.025318 -0.020753 -0.007828 3C 2dz2 0.071521 -0.021740 0.039213 -0.121254 0.121169 0.013729 3C 2dxz -0.054936 -0.150967 -0.008012 0.145071 -0.128537 0.062449 3C 2dyz -0.172095 0.500736 0.016353 -0.513655 0.394523 -0.124747 3C 2dx2y2 -0.203969 0.437278 -0.035638 -0.397429 0.311661 0.019027 3C 2dxy 0.166590 0.250072 0.070374 -0.242232 0.202710 -0.205645 3C 1f0 0.010208 0.062022 -0.000059 -0.007431 -0.012088 -0.050448 3C 1f+1 -0.015136 0.019378 -0.011076 -0.009364 0.014196 0.035725 3C 1f-1 -0.004126 -0.052505 -0.003990 0.005991 0.015504 0.046567 3C 1f+2 -0.033517 0.078336 -0.025623 -0.069300 0.054049 0.024586 3C 1f-2 0.004454 0.052133 0.000090 -0.038561 0.025444 -0.027210 3C 1f+3 -0.005886 0.000601 -0.004064 0.032848 -0.056510 -0.059757 3C 1f-3 0.004468 -0.008840 0.011797 0.001711 -0.022761 -0.034628 4C 1s 0.000742 -0.001377 0.001597 -0.007066 -0.013157 0.001642 4C 2s 0.004416 -0.004525 0.005359 -0.024162 -0.045277 0.005808 4C 3s -0.230343 0.071717 -0.374033 0.158595 0.633593 -0.176060 4C 4s 1.107671 -0.392516 1.733600 -0.128792 -2.077866 0.672920 4C 5s 0.084046 -0.048577 0.948749 -0.130975 -0.835611 0.334156 4C 1pz 0.128157 -0.123943 -0.391671 -0.227528 -0.236013 0.037076 4C 1px -0.256072 0.028274 -0.118369 -0.065213 -0.088819 -0.287544 4C 1py -0.019183 -0.104543 -0.192222 -0.105186 -0.158952 -0.109095 4C 2pz -1.670432 0.931937 2.453029 1.337756 1.723585 -0.410643 4C 2px 3.256681 -0.404659 0.645954 0.498733 0.972817 2.647066 4C 2py 0.198913 0.557037 1.393887 0.800753 1.346717 0.846184 4C 3pz 0.014060 0.297705 -0.263596 -0.309082 -0.208695 -0.155339 4C 3px -0.461534 0.302734 0.308322 -0.281458 0.241451 0.515586 4C 3py -0.238972 0.355919 -0.005891 -0.168977 -0.136219 0.101511 4C 1dz2 -0.002939 -0.001040 -0.029225 -0.017227 -0.037123 0.011561 4C 1dxz 0.001374 -0.011155 -0.003783 -0.005462 -0.023253 0.001247 4C 1dyz 0.014461 -0.014324 -0.017082 -0.034442 -0.044163 -0.000743 4C 1dx2y2 -0.004229 -0.005692 0.012391 0.019437 0.010926 -0.006498 4C 1dxy -0.002305 0.015875 -0.019895 -0.021885 -0.022196 0.015523 4C 2dz2 -0.705398 0.088681 -0.361168 -0.298236 -0.382890 -0.514553 4C 2dxz 1.445796 -0.314814 -0.693203 -0.089676 -0.013703 0.719375 4C 2dyz 0.197298 -0.038997 -0.320503 -0.239870 -0.546943 0.036396 4C 2dx2y2 0.088274 0.129955 0.427723 0.110908 0.022140 0.300951 4C 2dxy 1.172296 -0.443267 0.186328 0.074449 0.009041 0.487801 4C 1f0 0.015748 0.020195 -0.028700 -0.019433 0.012998 0.009819 4C 1f+1 -0.011928 -0.005427 -0.011317 -0.023607 0.012670 -0.037569 4C 1f-1 -0.043431 -0.005349 -0.033293 -0.022088 0.004344 -0.022141 4C 1f+2 -0.024955 0.002936 0.042181 0.004955 -0.010069 -0.020045 4C 1f-2 0.002547 0.016150 -0.026088 -0.009369 0.009403 0.020908 4C 1f+3 -0.046613 0.027302 -0.012829 -0.009701 -0.015021 -0.015712 4C 1f-3 -0.049417 -0.001322 -0.050427 -0.001891 -0.018979 -0.016825 5C 1s 0.001907 0.002377 0.001146 -0.012781 0.010114 -0.001591 5C 2s 0.005692 0.008587 0.004421 -0.043726 0.034612 -0.006176 5C 3s -0.066402 0.025295 -0.240378 0.639202 -0.475871 0.206960 5C 4s 0.054537 -0.206049 1.312570 -2.086461 1.470635 -0.909109 5C 5s 0.712715 -0.386641 0.671276 -1.001346 0.727517 -0.341098 5C 1pz -0.093224 0.172191 -0.058486 -0.128275 0.113542 0.083013 5C 1px 0.251207 0.029308 0.144685 0.016551 0.076064 -0.098733 5C 1py 0.077799 -0.364399 0.071999 0.213351 -0.135058 0.004187 5C 2pz 1.233827 -1.465304 0.559433 1.159095 -0.733192 -0.484772 5C 2px -3.253700 0.227543 -1.368660 -0.426493 -0.734188 1.129694 5C 2py -0.914519 2.477154 -0.518941 -1.622345 1.066846 -0.008757 5C 3pz -0.017389 -0.126438 -0.331450 -0.174881 0.251016 0.108043 5C 3px 0.514001 -0.426547 -0.432831 -0.186251 -0.322512 0.053016 5C 3py -0.161266 0.255804 0.533344 0.302108 -0.402541 -0.133483 5C 1dz2 -0.004259 -0.019301 -0.002487 0.006161 0.008584 0.022045 5C 1dxz 0.014515 0.012193 0.000380 -0.011956 0.003386 -0.024511 5C 1dyz -0.007241 -0.018096 0.011230 0.040482 -0.038526 0.002964 5C 1dx2y2 -0.016429 -0.014659 0.005481 0.026900 -0.023916 0.001417 5C 1dxy -0.010582 -0.001947 0.009651 0.037686 -0.040229 -0.013521 5C 2dz2 0.458036 -0.119478 0.052325 0.321880 -0.248656 -0.206642 5C 2dxz -0.861982 0.424694 -0.418401 -0.238058 0.220110 0.557721 5C 2dyz -0.634695 0.065861 -0.252068 0.244108 -0.302426 0.348210 5C 2dx2y2 -0.679385 -0.239906 -0.064084 -0.154572 -0.032678 0.407985 5C 2dxy 1.503602 -0.927672 0.540545 0.601929 -0.093417 -0.269363 5C 1f0 -0.047155 0.000387 0.000294 -0.012664 -0.000144 0.029473 5C 1f+1 0.030023 0.031530 0.016656 0.007644 -0.024222 -0.038758 5C 1f-1 -0.011941 -0.000494 -0.006778 0.005211 -0.011752 -0.020992 5C 1f+2 0.022875 -0.016296 0.020988 0.001109 0.009709 -0.022550 5C 1f-2 0.041831 -0.024102 0.027716 0.006469 0.024921 -0.007588 5C 1f+3 0.033565 -0.003714 -0.013897 0.020527 0.013109 0.028813 5C 1f-3 0.014391 -0.024238 0.030731 -0.014464 -0.005597 -0.010660 6C 1s -0.002920 0.002156 0.001619 0.012775 -0.009265 0.002070 6C 2s -0.009274 0.007861 0.006063 0.043639 -0.032092 0.006444 6C 3s 0.121817 0.035640 -0.274341 -0.634143 0.464428 0.020776 6C 4s -0.270522 -0.231783 1.440848 2.055213 -1.485335 -0.307118 6C 5s -0.708977 -0.445175 0.747469 0.987645 -0.725929 -0.039449 6C 1pz -0.080976 -0.179449 0.057646 -0.134625 0.073347 -0.119255 6C 1px 0.252278 -0.009566 -0.147799 0.030693 0.116743 0.051105 6C 1py 0.051863 0.366203 -0.069767 0.210221 -0.141139 0.038167 6C 2pz 1.108170 1.548437 -0.554730 1.199930 -0.477194 0.684813 6C 2px -3.220698 -0.471576 1.415624 -0.558229 -1.163924 -0.652118 6C 2py -0.708503 -2.517592 0.500872 -1.610906 1.030247 -0.333094 6C 3pz -0.066013 0.115353 0.323024 -0.184366 0.288123 -0.223365 6C 3px 0.428506 0.456383 0.428886 -0.199030 -0.242445 0.096337 6C 3py -0.067383 -0.256588 -0.515312 0.313294 -0.489334 0.311291 6C 1dz2 0.006287 -0.018488 -0.002265 -0.004424 0.001213 0.024237 6C 1dxz -0.014653 0.010222 0.000793 0.010468 -0.013174 -0.022670 6C 1dyz 0.008189 -0.017193 0.009745 -0.040997 0.035396 -0.010754 6C 1dx2y2 0.015978 -0.013464 0.004632 -0.027123 0.021818 -0.007790 6C 1dxy 0.009683 -0.001765 0.008040 -0.039281 0.030332 -0.027592 6C 2dz2 -0.430351 -0.154444 0.043362 -0.342751 0.123642 -0.273037 6C 2dxz 0.828338 0.495705 -0.430551 0.280088 0.027302 0.579535 6C 2dyz 0.643707 0.117577 -0.277279 -0.219819 0.398480 0.196199 6C 2dx2y2 0.685203 -0.180862 -0.062114 0.192910 0.209057 0.352989 6C 2dxy -1.417675 -1.031758 0.553550 -0.632298 -0.027789 -0.234597 6C 1f0 -0.045370 -0.004155 -0.000143 -0.014517 -0.013870 -0.025647 6C 1f+1 0.031235 -0.028909 -0.016436 0.011072 -0.003992 0.045105 6C 1f-1 -0.012079 0.000135 0.007136 0.006245 -0.001287 0.024793 6C 1f+2 0.024116 0.018404 -0.022291 0.002381 0.014407 0.015783 6C 1f-2 0.042918 0.027073 -0.029851 0.006387 0.022052 -0.004441 6C 1f+3 0.030874 0.005573 0.014626 0.019335 0.003551 -0.032773 6C 1f-3 0.014072 0.024961 -0.031963 -0.013498 -0.002986 0.012598 7C 1s -0.001025 -0.001255 0.001662 0.006776 0.011636 -0.004288 7C 2s -0.005568 -0.004303 0.005643 0.023154 0.040172 -0.014604 7C 3s 0.253891 0.083108 -0.373444 -0.141694 -0.589273 0.091290 7C 4s -1.208193 -0.464855 1.724506 0.063561 1.944775 -0.157775 7C 5s -0.070059 -0.032146 0.938102 0.120893 0.859429 -0.008706 7C 1pz 0.129138 0.132806 0.380886 -0.233167 -0.224908 0.085040 7C 1px -0.255654 -0.046721 0.119035 -0.050591 0.045183 0.295879 7C 1py -0.022552 0.102494 0.192777 -0.101063 -0.093238 0.176807 7C 2pz -1.671930 -1.050644 -2.377599 1.369171 1.639107 -0.463196 7C 2px 3.249384 0.637220 -0.681477 0.353868 -0.277888 -2.792218 7C 2py 0.208036 -0.542348 -1.387817 0.758744 0.789490 -1.394277 7C 3pz 0.041299 -0.306552 0.268410 -0.318574 -0.290252 0.280364 7C 3px -0.457911 -0.341224 -0.314922 -0.309722 -0.065043 -0.528068 7C 3py -0.217277 -0.379972 0.018732 -0.185296 -0.293890 0.010794 7C 1dz2 0.003758 -0.000298 -0.029294 0.017832 0.036922 -0.005902 7C 1dxz 0.000755 -0.010537 -0.003999 0.005196 0.020352 -0.009559 7C 1dyz -0.011754 -0.014308 -0.016425 0.033913 0.037023 -0.021286 7C 1dx2y2 0.003610 -0.005327 0.012088 -0.020501 -0.012768 -0.000657 7C 1dxy 0.000299 0.015204 -0.019504 0.023031 0.025858 0.003785 7C 2dz2 0.704155 0.137795 -0.356882 0.265701 0.094587 -0.633192 7C 2dxz -1.442285 -0.422782 -0.667034 0.141586 0.297581 0.619980 7C 2dyz -0.205620 -0.057081 -0.314077 0.235505 0.466166 -0.206565 7C 2dx2y2 -0.104527 0.125313 0.421202 -0.098521 0.121505 0.302207 7C 2dxy -1.160515 -0.517833 0.197639 -0.055604 0.185586 0.449527 7C 1f0 0.017610 -0.018249 0.027403 -0.020929 0.006317 -0.012457 7C 1f+1 -0.013815 0.004298 0.010105 -0.021519 0.026511 0.031756 7C 1f-1 -0.045268 0.001629 0.032978 -0.022118 0.010255 0.021459 7C 1f+2 -0.023593 -0.004487 -0.041461 0.007565 0.001496 0.019819 7C 1f-2 0.002728 -0.015748 0.025528 -0.011878 -0.002841 -0.021306 7C 1f+3 -0.044516 -0.030006 0.013713 -0.009078 -0.006331 0.020964 7C 1f-3 -0.048724 -0.001609 0.050849 -0.002051 -0.010811 0.023823 8C 1s -0.005030 -0.006901 -0.002345 -0.002447 0.000713 0.001004 8C 2s -0.013523 -0.024817 -0.009442 -0.015186 0.008511 0.002737 8C 3s 0.143778 0.581219 0.105214 0.479244 -0.343151 0.010575 8C 4s -0.453656 -2.602075 -0.176167 -2.120886 1.595695 -0.142724 8C 5s 0.657275 0.440897 -0.674040 0.098516 -0.138837 0.243146 8C 1pz -0.013679 -0.145899 -0.016951 -0.005268 0.027824 0.096592 8C 1px 0.007913 0.004421 -0.048106 0.107948 -0.034267 0.178417 8C 1py 0.048023 -0.064078 0.078765 0.000616 0.036281 0.063908 8C 2pz 0.147579 1.163283 -0.012241 0.586509 -0.517036 -0.230632 8C 2px -0.357556 0.166606 0.236733 -0.033461 -0.221242 -0.663983 8C 2py -0.184059 -0.786103 -0.171540 -1.004023 0.697994 -0.366713 8C 3pz 0.070957 -0.140379 -0.036922 -0.022067 0.043869 0.028381 8C 3px -0.126041 0.095976 0.132014 0.212654 -0.074332 -0.066952 8C 3py 0.048461 -0.199664 -0.198813 -0.160475 0.131152 0.051409 8C 1dz2 0.008025 -0.004719 0.007117 -0.013591 0.012768 0.005603 8C 1dxz -0.018302 0.006512 0.000245 -0.002748 0.000735 -0.058591 8C 1dyz 0.001510 -0.069427 0.001171 -0.056730 0.045615 -0.007907 8C 1dx2y2 -0.006223 0.000019 0.008070 -0.021971 0.023103 -0.031515 8C 1dxy 0.012332 0.010648 0.011163 -0.026689 0.014587 -0.014504 8C 2dz2 -0.073155 -0.025369 0.046292 0.123232 -0.096791 0.061095 8C 2dxz 0.071531 -0.145426 -0.013809 -0.140779 0.138753 0.012782 8C 2dyz 0.111215 0.506179 0.032522 0.505498 -0.396723 0.022682 8C 2dx2y2 0.155661 0.447509 -0.026333 0.398537 -0.265230 0.126106 8C 2dxy -0.196131 0.230576 0.081294 0.227828 -0.260654 -0.115751 8C 1f0 0.014292 -0.059429 0.000661 -0.003153 0.013133 0.052443 8C 1f+1 -0.014551 -0.022001 0.011521 -0.012003 -0.000376 -0.037992 8C 1f-1 -0.008171 0.050811 0.003411 0.001982 -0.006873 -0.050088 8C 1f+2 -0.027697 -0.080216 0.024917 -0.070570 0.042083 -0.041634 8C 1f-2 0.008789 -0.051687 -0.000899 -0.037015 0.036630 0.016069 8C 1f+3 -0.006655 0.000224 0.005914 0.036090 -0.026236 0.077536 8C 1f-3 0.004792 0.009972 -0.011898 0.003784 -0.007095 0.041322 9C 1s 0.007914 0.003883 0.000395 0.000649 -0.002324 0.001288 9C 2s 0.027840 0.014513 0.002572 -0.001628 -0.014428 0.007244 9C 3s -0.431398 -0.296892 -0.329021 0.232093 0.466616 -0.273286 9C 4s 1.483529 1.207576 1.991620 -1.288637 -2.095003 1.344327 9C 5s -0.519808 0.038206 -0.603209 0.112376 0.154096 -0.212546 9C 1pz 0.069969 0.091084 -0.107056 0.119589 0.032611 0.039717 9C 1px 0.007748 -0.045325 -0.145554 0.134582 0.067851 -0.039696 9C 1py 0.051336 -0.064542 0.083863 -0.048190 -0.022022 -0.014167 9C 2pz -0.720517 -0.738917 -0.639070 0.333679 0.849129 -0.716241 9C 2px 0.203921 0.207750 0.385290 -0.237060 -0.010002 -0.099079 9C 2py -0.357367 -0.039464 -0.962274 0.637538 0.743683 -0.381982 9C 3pz -0.118078 -0.126410 -0.003755 0.078469 0.122330 0.000448 9C 3px 0.029665 -0.116484 -0.095498 0.163848 0.210434 -0.071600 9C 3py -0.040864 -0.034012 0.101352 -0.060562 0.070812 0.006600 9C 1dz2 -0.018004 -0.013601 -0.016223 0.019503 0.019234 -0.029783 9C 1dxz 0.007216 0.012370 0.041774 -0.002934 -0.003584 0.014384 9C 1dyz -0.013288 -0.026597 -0.058261 0.041848 0.056549 -0.030244 9C 1dx2y2 -0.001927 -0.018014 0.016368 -0.005788 -0.016813 -0.012956 9C 1dxy 0.006699 0.021517 -0.025134 0.028930 0.030182 0.014394 9C 2dz2 0.335217 0.242459 0.274487 -0.159521 -0.342886 0.217281 9C 2dxz -0.111173 -0.007049 0.134670 -0.119310 -0.144613 0.178495 9C 2dyz 0.329378 0.213935 0.481669 -0.344821 -0.569441 0.350149 9C 2dx2y2 -0.105533 -0.109734 -0.226921 0.140917 0.155730 -0.092315 9C 2dxy -0.089549 0.021809 -0.007332 -0.038715 -0.095745 0.112450 9C 1f0 -0.006254 0.030036 -0.045467 0.022496 0.042502 0.026121 9C 1f+1 0.011519 -0.020185 0.031045 -0.018225 -0.002020 -0.024903 9C 1f-1 -0.017027 -0.044659 -0.068167 0.047603 0.041615 -0.041971 9C 1f+2 0.021906 0.005986 0.028446 -0.030448 -0.039869 0.010557 9C 1f-2 -0.000783 -0.013031 -0.097747 0.053575 0.053439 -0.037389 9C 1f+3 0.026565 0.034662 -0.020981 0.006920 -0.001886 0.012041 9C 1f-3 0.007025 0.018585 0.054284 -0.021608 -0.015702 0.008433 10H 1s 0.029942 -0.066437 -0.031805 0.010455 0.020655 -0.038581 10H 2s -0.029514 0.204804 0.184883 0.044261 -0.038956 0.122453 10H 3s -0.119054 -0.168694 -0.182081 -0.129619 -0.154389 -0.114288 10H 1pz -0.081302 -0.004770 0.146965 0.154772 0.135845 -0.068526 10H 1px -0.040650 -0.002177 0.065940 0.077496 0.098217 -0.011492 10H 1py -0.069388 0.091120 -0.005302 0.030835 0.094353 0.017165 11H 1s -0.014138 0.011082 0.274098 0.127790 0.134730 -0.035067 11H 2s 0.022066 0.039868 -0.884124 -0.526075 -0.348282 0.122753 11H 3s -0.162449 0.136816 0.486522 0.273330 0.348836 -0.028370 11H 1pz -0.042634 0.054515 0.030989 0.003520 0.153615 0.013437 11H 1px 0.021088 0.030622 -0.040964 0.003408 0.015006 0.018252 11H 1py -0.037242 0.108878 0.077229 0.031134 0.179703 0.028525 12H 1s -0.057066 0.124461 0.018363 0.019647 0.039747 0.081973 12H 2s 0.110232 -0.451301 0.007070 -0.051439 -0.103523 -0.166941 12H 3s -0.197819 0.234802 0.022648 -0.040326 0.133878 0.105964 12H 1pz -0.067577 0.027331 0.177261 0.154935 0.178266 0.026517 12H 1px -0.000508 -0.025939 0.090226 0.084807 0.044163 0.008091 12H 1py 0.001411 -0.006388 0.007251 0.018771 0.055223 0.013819 13H 1s -0.050924 0.033249 0.001433 -0.002710 0.034019 0.094321 13H 2s 0.093975 -0.085767 0.052158 0.020812 -0.110281 -0.314505 13H 3s 0.157653 0.138819 0.115533 -0.147002 0.145836 0.075938 13H 1pz 0.029693 -0.001594 0.004875 0.080193 -0.084565 -0.095160 13H 1px 0.030638 -0.039426 0.002145 0.119057 -0.097466 -0.037824 13H 1py -0.044983 0.138858 -0.060611 -0.147185 0.068494 -0.057765 14H 1s 0.062647 -0.014242 0.047444 0.082750 -0.142455 -0.187184 14H 2s -0.148216 -0.061072 -0.139753 -0.305267 0.423250 0.639361 14H 3s 0.199813 -0.046331 0.049268 0.180868 -0.204523 -0.228509 14H 1pz -0.026009 -0.026506 -0.032578 0.016567 -0.016103 0.048651 14H 1px -0.018241 -0.027498 0.000905 0.004771 -0.021851 0.038217 14H 1py -0.007759 0.196912 -0.006711 -0.102870 0.123165 -0.112088 15H 1s 0.024943 -0.226182 0.021606 0.086814 -0.018768 0.080927 15H 2s -0.088137 0.757769 -0.148377 -0.213742 0.036500 -0.229853 15H 3s 0.129156 -0.592471 -0.073656 0.243694 -0.115263 0.153617 15H 1pz 0.018866 -0.130730 -0.028324 0.132405 -0.087826 -0.002586 15H 1px -0.014383 0.015047 0.008057 0.109222 -0.094590 -0.117742 15H 1py 0.016784 0.062640 0.046880 -0.124007 0.093863 -0.024200 16H 1s -0.029271 0.021813 -0.068147 0.025845 -0.003966 -0.032594 16H 2s -0.070802 -0.084045 0.122022 -0.011639 0.035836 0.105447 16H 3s -0.129897 -0.024310 0.004991 -0.123453 -0.118676 -0.057245 16H 1pz 0.127131 0.012467 0.078197 0.041122 0.036995 -0.023805 16H 1px 0.053363 -0.008370 0.096896 -0.050896 -0.056942 -0.011657 16H 1py -0.075585 -0.060364 0.034752 -0.107336 -0.028109 0.090865 17H 1s 0.012372 0.045480 -0.061558 0.055945 0.006971 0.008339 17H 2s 0.123928 -0.116081 0.200116 -0.227087 0.023736 -0.106339 17H 3s 0.096693 0.089421 0.029348 0.156971 -0.030746 0.047804 17H 1pz 0.115418 0.043190 0.001115 0.101612 0.017265 -0.052829 17H 1px 0.045521 0.013749 0.019377 0.027357 -0.016394 0.001541 17H 1py 0.057581 -0.032774 0.111620 -0.007109 -0.014971 -0.031124 18H 1s -0.019594 0.042727 -0.062385 -0.055278 -0.005227 0.016022 18H 2s -0.095111 -0.120720 0.211102 0.219978 -0.060401 -0.110474 18H 3s -0.108013 0.078752 0.028250 -0.156749 0.047615 0.039980 18H 1pz 0.116837 -0.031833 0.000160 0.107713 0.040382 0.031307 18H 1px 0.044125 -0.010314 -0.018681 0.027457 -0.014944 0.007144 18H 1py 0.054340 0.037423 -0.113638 -0.001213 -0.002440 0.039316 19H 1s 0.023439 0.023417 -0.068848 -0.026645 -0.011981 -0.029256 19H 2s 0.092921 -0.080353 0.122394 0.018562 0.015622 0.105989 19H 3s 0.130998 -0.011194 0.004434 0.118590 0.083175 -0.112452 19H 1pz 0.130247 -0.004074 -0.079657 0.046780 0.044958 0.002224 19H 1px 0.046888 0.013459 -0.099903 -0.045820 -0.046887 0.043249 19H 1py -0.084491 0.052625 -0.035078 -0.113591 -0.066430 -0.059020 20H 1s -0.010003 -0.224601 0.022454 -0.078193 0.060604 0.074578 20H 2s 0.036728 0.749478 -0.155472 0.189675 -0.164316 -0.226454 20H 3s -0.067349 -0.590027 -0.076440 -0.224346 0.179691 0.112240 20H 1pz 0.003174 0.130877 0.031552 0.131970 -0.073774 0.035457 20H 1px -0.012461 -0.011676 -0.004392 0.116611 -0.035317 0.141858 20H 1py 0.027384 -0.060457 -0.052246 -0.122070 0.086796 -0.013652 21H 1s -0.063246 -0.024769 0.045574 -0.096336 0.053752 -0.229366 21H 2s 0.158854 -0.024505 -0.132765 0.351624 -0.124124 0.754737 21H 3s -0.188552 -0.075075 0.042265 -0.202175 0.093378 -0.295318 21H 1pz -0.032305 0.021816 0.034255 0.013535 -0.028587 -0.036794 21H 1px -0.020192 0.025040 -0.000693 0.002338 -0.037263 -0.028175 21H 1py 0.014667 -0.191913 0.003002 -0.095925 0.156932 0.059284 22H 1s 0.046999 0.040026 0.001178 0.007663 0.008526 0.098972 22H 2s -0.093513 -0.106034 0.053321 -0.038362 -0.027873 -0.323320 22H 3s -0.156938 0.132422 0.123282 0.147523 -0.103834 0.122650 22H 1pz 0.027580 0.006390 -0.002334 0.087787 -0.032098 0.119935 22H 1px 0.024468 0.042935 0.001136 0.121833 -0.070823 0.068686 22H 1py -0.031691 -0.139613 0.057998 -0.144318 0.086216 0.038166 23H 1s 0.047757 0.124805 0.020291 -0.014632 0.000637 0.097647 23H 2s -0.073092 -0.444757 -0.005919 0.039305 0.021993 -0.220872 23H 3s 0.200421 0.252051 0.030375 0.048928 -0.070471 0.160412 23H 1pz -0.074314 -0.033565 -0.169558 0.153058 0.134254 -0.102711 23H 1px -0.002355 0.026270 -0.089139 0.088263 0.037942 -0.030236 23H 1py -0.001259 0.005428 -0.006605 0.017876 0.038056 -0.034044 24H 1s 0.019856 0.012515 0.269149 -0.134329 -0.135033 0.031653 24H 2s -0.044421 0.036584 -0.861539 0.548991 0.369698 -0.064606 24H 3s 0.186390 0.151340 0.471103 -0.276711 -0.313600 0.127271 24H 1pz -0.042319 -0.057012 -0.030795 -0.001231 0.117657 -0.073924 24H 1px 0.027278 -0.025401 0.038147 0.000745 0.006376 -0.026172 24H 1py -0.033129 -0.109771 -0.078124 0.026088 0.138165 -0.105569 25H 1s -0.026771 -0.066119 -0.033598 -0.011014 -0.034941 -0.025384 25H 2s 0.007354 0.197287 0.192434 -0.044657 0.084978 0.102816 25H 3s 0.141270 -0.153401 -0.184188 0.130545 0.090214 -0.181201 25H 1pz -0.083426 -0.001099 -0.141807 0.157902 0.142704 -0.005248 25H 1px -0.043417 0.000005 -0.064282 0.078061 0.089296 -0.035519 25H 1py -0.062798 -0.093417 0.004344 0.027632 0.070382 -0.059573 26O 1s 0.001770 -0.004204 -0.000713 -0.002606 -0.002335 -0.001381 26O 2s -0.003403 -0.011200 -0.005335 -0.008322 -0.007137 -0.010242 26O 3s 0.199374 0.015321 0.097176 0.059310 0.046729 0.174793 26O 4s -1.037545 0.295933 -0.323305 -0.134026 -0.108889 -0.734826 26O 5s -2.596311 -0.423493 -1.865829 -0.656602 -0.668954 -2.146806 26O 1pz 0.016256 -0.000763 -0.034931 -0.055103 -0.068348 0.003539 26O 1px 0.081297 0.022873 0.015226 0.018926 0.055174 0.018030 26O 1py 0.029690 -0.025440 -0.007136 0.008217 -0.056719 0.016246 26O 2pz 0.074832 -0.015393 0.071255 0.104885 0.075476 0.091416 26O 2px 0.851400 -0.107853 0.337999 0.171322 0.143766 0.625008 26O 2py 0.364663 -0.042169 0.176638 0.088943 0.117890 0.270471 26O 3pz -0.771185 -0.250520 0.117321 -0.218639 -0.126896 -0.156143 26O 3px 0.995665 -0.247100 0.979109 0.297917 0.216939 1.184269 26O 3py -0.002431 -0.014396 0.118590 -0.091170 0.065247 0.586221 26O 1dz2 -0.003124 0.002288 0.000704 -0.006332 -0.002498 -0.007848 26O 1dxz 0.001163 -0.001683 0.000265 0.000187 0.000744 -0.000192 26O 1dyz 0.001584 0.003896 -0.000694 -0.000893 -0.005838 -0.000631 26O 1dx2y2 0.006592 0.000689 0.002497 -0.001198 0.004315 0.003363 26O 1dxy 0.006197 -0.001654 0.001436 0.001418 0.001581 0.003327 26O 2dz2 0.158219 -0.018690 0.109410 0.051834 0.140218 0.041714 26O 2dxz -0.016641 0.033231 -0.014632 0.106842 0.048122 -0.016106 26O 2dyz -0.062040 -0.010178 -0.167408 0.059062 0.091964 -0.095329 26O 2dx2y2 -0.277968 0.111703 -0.118345 -0.185637 -0.181653 -0.140134 26O 2dxy -0.262633 -0.059363 -0.047323 -0.043872 -0.015370 -0.297920 26O 1f0 -0.005747 -0.000842 -0.004333 0.004291 0.001628 -0.001754 26O 1f+1 -0.014311 0.000674 -0.012910 -0.002299 -0.005976 -0.009938 26O 1f-1 -0.008003 -0.005502 -0.009021 0.002067 0.000418 -0.003050 26O 1f+2 -0.000859 0.002803 -0.000415 -0.002845 -0.008428 0.002232 26O 1f-2 0.008658 -0.001867 0.003911 0.000466 0.000600 0.008236 26O 1f+3 -0.010030 -0.000951 -0.007646 -0.005972 -0.007235 -0.006586 26O 1f-3 -0.024640 -0.001254 -0.016816 -0.009846 -0.005508 -0.025310 27O 1s -0.001757 0.003300 0.004292 -0.003394 0.000877 0.000865 27O 2s 0.001716 0.008948 0.014479 -0.006251 0.001646 0.000649 27O 3s -0.161660 -0.021734 -0.095319 -0.046060 0.005496 0.045168 27O 4s 0.875523 -0.240107 0.214493 0.406662 -0.111728 -0.358434 27O 5s 2.423062 1.041943 0.585753 0.774549 0.488265 -0.522345 27O 1pz 0.023349 0.034503 0.012330 -0.048698 0.041635 0.003760 27O 1px -0.074219 -0.008208 -0.011351 -0.004407 -0.027309 -0.002993 27O 1py -0.027721 -0.044009 0.000792 0.043722 -0.068917 0.040035 27O 2pz 0.045755 -0.015604 0.006044 0.082313 -0.025839 -0.017074 27O 2px -0.826905 0.020339 -0.224924 -0.256332 -0.014709 0.266860 27O 2py 0.183455 0.001703 0.032942 0.001326 0.051291 -0.056378 27O 3pz 0.632646 0.233494 0.207073 -0.043518 -0.041619 -0.399510 27O 3px -0.846134 0.014227 -0.124123 -0.475602 -0.117141 0.295067 27O 3py -0.660581 -0.028816 -0.143127 0.169445 -0.035523 -0.236165 27O 1dz2 0.005466 0.002038 0.003232 -0.001078 -0.001775 -0.002118 27O 1dxz 0.001400 0.002692 0.002599 -0.000325 -0.000158 -0.000691 27O 1dyz -0.000207 0.002982 -0.001053 0.005376 -0.000744 0.004501 27O 1dx2y2 -0.009902 0.002979 -0.002642 -0.001324 -0.004778 0.004588 27O 1dxy 0.003364 -0.002762 -0.001173 0.000745 0.000177 0.001712 27O 2dz2 -0.200618 0.079494 0.020480 -0.100963 -0.017154 -0.047461 27O 2dxz -0.142233 -0.000954 -0.021641 0.106645 0.000439 0.136702 27O 2dyz 0.015338 -0.070205 -0.010927 -0.026838 0.069614 -0.036614 27O 2dx2y2 0.330898 -0.006655 0.093327 -0.070293 0.154886 -0.061219 27O 2dxy -0.014268 -0.118792 -0.052282 -0.170590 0.095073 0.099504 27O 1f0 -0.005544 -0.006601 -0.000961 0.000488 -0.001292 0.000120 27O 1f+1 0.017995 0.002398 0.003690 0.006262 0.006248 -0.002305 27O 1f-1 -0.004444 -0.000596 -0.000845 -0.004163 -0.002349 -0.001131 27O 1f+2 0.006214 -0.005044 0.002118 -0.005213 0.003387 -0.004408 27O 1f-2 0.005842 -0.001827 0.003172 -0.003487 0.000937 -0.003854 27O 1f+3 0.017541 0.009069 0.003684 0.002053 0.003083 -0.005318 27O 1f-3 -0.009390 -0.005329 -0.005483 -0.007976 0.006567 0.002540 28O 1s -0.000166 -0.002461 0.000250 0.001227 -0.000084 -0.000198 28O 2s 0.006967 -0.008893 -0.002086 0.003168 0.001197 0.003897 28O 3s -0.192905 0.075002 0.081247 0.001596 -0.033527 -0.111053 28O 4s 0.963107 -0.239834 -0.391457 -0.063790 0.172996 0.582172 28O 5s 2.565670 -0.706834 -1.720615 -0.397963 0.091460 1.125032 28O 1pz 0.017395 -0.016050 -0.014153 -0.050742 -0.054429 -0.003546 28O 1px 0.073900 -0.024698 -0.017296 -0.047446 -0.033604 -0.002712 28O 1py 0.015700 -0.010793 -0.045528 -0.036205 -0.062736 0.013305 28O 2pz -0.583386 0.170238 0.319527 0.080854 0.014872 -0.303093 28O 2px 0.678173 -0.197300 -0.318890 -0.067426 0.053149 0.357436 28O 2py -0.087957 0.051703 0.083006 0.023986 0.044657 -0.054773 28O 3pz 0.010778 -0.081552 0.011891 0.182164 -0.606632 -0.588931 28O 3px 1.202063 -0.272665 -0.953523 -0.056023 0.017670 0.779959 28O 3py 0.578441 -0.544794 -0.055266 -0.004009 -0.197323 -0.283690 28O 1dz2 0.002995 -0.000183 -0.001086 -0.004806 -0.001049 -0.001244 28O 1dxz 0.010307 -0.000499 -0.003984 -0.002473 -0.000283 0.008173 28O 1dyz 0.000291 -0.003040 -0.004058 -0.001267 -0.004556 0.003026 28O 1dx2y2 -0.006871 0.005407 0.001529 0.001007 0.003663 -0.002454 28O 1dxy 0.000992 -0.000663 0.000541 0.001249 0.000532 0.001846 28O 2dz2 0.011840 0.041064 0.188666 0.068668 0.161430 -0.056153 28O 2dxz -0.305954 0.118995 0.081598 0.077523 -0.017172 -0.155177 28O 2dyz 0.018486 0.053647 -0.196529 0.032530 0.059176 0.112098 28O 2dx2y2 0.228241 -0.030820 -0.182817 -0.015872 -0.050677 0.079271 28O 2dxy 0.006482 -0.198713 -0.016698 0.053466 -0.026109 -0.141302 28O 1f0 0.006160 -0.004944 -0.005056 -0.001300 -0.000801 0.004208 28O 1f+1 0.009457 -0.003657 -0.006863 0.001454 0.004151 0.007298 28O 1f-1 -0.005973 0.003026 0.001423 0.001487 0.001541 -0.009356 28O 1f+2 -0.022090 0.005739 0.012857 0.005870 -0.000912 -0.010638 28O 1f-2 0.006922 -0.002203 -0.005732 -0.002335 -0.000054 0.001030 28O 1f+3 -0.013225 0.001472 0.011311 0.005859 0.003222 -0.010403 28O 1f-3 -0.002781 0.004514 0.001697 0.000100 0.005360 0.001134 29O 1s 0.000064 0.000542 -0.000455 0.000785 0.000653 -0.000647 29O 2s -0.000069 0.002973 -0.004497 0.004079 0.002092 -0.002498 29O 3s 0.007099 -0.044628 0.090118 -0.059163 -0.010027 0.024342 29O 4s -0.033962 0.176156 -0.416292 0.240679 0.026324 -0.082739 29O 5s 0.006802 -0.183546 0.606362 -0.258484 -0.118543 0.131817 29O 1pz -0.004545 -0.007021 0.003214 -0.026061 -0.000732 -0.005111 29O 1px -0.010100 0.021788 -0.044154 0.030049 -0.004617 -0.009916 29O 1py -0.006079 0.042312 -0.070290 0.036410 -0.007342 -0.012921 29O 2pz 0.090459 0.021964 0.028379 0.055003 0.025202 0.027315 29O 2px 0.034666 0.016316 0.002132 0.021749 0.008098 0.000444 29O 2py -0.001301 -0.066936 0.109997 -0.070112 0.005827 0.022413 29O 3pz -0.315820 -0.090216 0.039434 -0.039864 -0.070270 0.023011 29O 3px -0.140322 0.061398 -0.354124 0.201977 0.080771 -0.007274 29O 3py 0.084830 0.053390 -0.082994 0.000573 0.116145 -0.100910 29O 1dz2 0.000574 -0.000414 0.000033 0.000576 0.000256 0.001579 29O 1dxz -0.001970 -0.000273 -0.000731 -0.000198 -0.000240 -0.001501 29O 1dyz 0.001227 0.000029 0.001312 0.001521 0.000033 -0.002549 29O 1dx2y2 -0.000625 -0.000806 0.000313 0.000069 -0.000659 -0.000655 29O 1dxy -0.000138 0.000238 -0.001250 0.000740 0.000313 -0.001861 29O 2dz2 0.058472 0.041104 -0.029045 0.059678 0.016455 -0.024631 29O 2dxz -0.099984 -0.003186 -0.028272 -0.055491 -0.070143 0.039330 29O 2dyz -0.013684 -0.020986 -0.012314 -0.104933 -0.005085 -0.005065 29O 2dx2y2 -0.025301 -0.003842 -0.032693 -0.041850 0.043080 -0.012928 29O 2dxy -0.026292 -0.037281 0.057648 -0.072156 -0.067983 0.006252 29O 1f0 0.004651 -0.003021 0.008386 -0.004756 0.001313 0.001746 29O 1f+1 0.001878 0.001659 -0.002270 0.002407 0.000034 0.000338 29O 1f-1 0.006473 -0.002988 0.010139 -0.004336 0.001228 0.003289 29O 1f+2 -0.001686 0.001492 -0.003201 0.000517 -0.000686 -0.002151 29O 1f-2 -0.007585 -0.005589 0.004678 -0.006685 -0.001470 -0.000716 29O 1f+3 0.002350 0.002990 -0.002133 0.002759 0.001145 -0.000315 29O 1f-3 0.004421 0.002932 -0.000680 0.002829 0.000186 0.001192 30O 1s -0.001570 0.003212 0.004069 0.001004 -0.000419 -0.001090 30O 2s -0.013482 0.013553 0.007466 0.001298 -0.001901 -0.000034 30O 3s 0.247148 -0.151662 0.071691 0.033718 0.019448 -0.074026 30O 4s -1.123436 0.550891 -0.633474 -0.222595 -0.040557 0.463414 30O 5s -2.753994 1.973621 -1.064648 -0.759287 -0.261621 0.846770 30O 1pz 0.039373 0.023951 0.010379 -0.019410 0.011767 -0.030653 30O 1px -0.050218 0.046483 0.004305 -0.085220 0.048607 0.017580 30O 1py -0.023528 -0.018700 0.007113 0.066855 -0.055932 -0.013164 30O 2pz 0.468776 -0.326238 0.219302 0.143840 -0.012508 -0.167110 30O 2px -0.682924 0.371395 -0.314626 -0.177458 -0.016516 0.272554 30O 2py -0.504296 0.367001 -0.251756 -0.163928 0.043117 0.172630 30O 3pz 0.245550 -0.220795 0.708502 -0.053230 0.514217 0.058798 30O 3px -1.382885 1.089896 -0.703262 -0.313998 0.050338 0.501736 30O 3py 0.040151 -0.293012 -0.723831 0.258090 -0.264180 0.468804 30O 1dz2 -0.000975 -0.000308 0.003662 -0.002458 -0.003022 -0.000412 30O 1dxz -0.006215 0.002773 -0.003823 -0.005449 0.002403 0.005567 30O 1dyz -0.002932 -0.002272 -0.000179 0.002382 -0.000786 -0.000844 30O 1dx2y2 0.004387 -0.004401 0.000629 0.005566 -0.004178 -0.002671 30O 1dxy 0.005981 -0.006383 0.006438 0.002977 -0.001609 -0.001227 30O 2dz2 0.113049 -0.050692 0.110270 0.000331 -0.191015 -0.245914 30O 2dxz 0.243294 -0.198109 0.140564 0.111118 0.049216 0.021587 30O 2dyz 0.253756 -0.178920 0.116620 -0.065944 0.151673 -0.009787 30O 2dx2y2 -0.081723 0.280521 -0.004153 -0.107830 0.106987 0.004872 30O 2dxy -0.201130 -0.024749 -0.073718 -0.131889 0.093794 0.200419 30O 1f0 -0.016500 0.015058 -0.012966 -0.006805 0.001562 0.004837 30O 1f+1 0.001514 -0.002021 -0.001146 0.005466 -0.002777 -0.001073 30O 1f-1 -0.003887 0.003696 -0.001188 -0.001452 -0.000714 0.002351 30O 1f+2 0.005232 -0.004816 0.001404 0.003564 -0.000875 0.000593 30O 1f-2 0.024348 -0.014822 0.010740 0.007553 -0.000074 -0.010502 30O 1f+3 -0.002449 -0.002403 0.000965 0.004471 -0.006325 -0.000154 30O 1f-3 0.011431 -0.005517 0.007815 0.003406 0.001391 -0.007321 31O 1s 0.001046 0.003233 0.004095 -0.001120 0.000061 -0.001031 31O 2s 0.011752 0.014286 0.007359 -0.001360 0.001935 -0.000639 31O 3s -0.235717 -0.169015 0.076196 -0.039668 -0.044726 -0.055258 31O 4s 1.096671 0.635358 -0.656346 0.262324 0.204008 0.377673 31O 5s 2.606290 2.166157 -1.123479 0.822081 0.571970 0.571763 31O 1pz 0.040549 -0.021174 -0.011681 -0.017740 0.022806 0.023549 31O 1px -0.045693 -0.049914 -0.004696 -0.085124 0.038471 -0.031486 31O 1py -0.026298 0.016464 -0.004146 0.067973 -0.046016 0.031119 31O 2pz 0.445096 0.359310 -0.227223 0.157553 0.049080 0.143516 31O 2px -0.660498 -0.422646 0.326793 -0.199015 -0.113421 -0.223346 31O 2py -0.477421 -0.401640 0.259253 -0.179487 -0.023802 -0.160775 31O 3pz 0.272042 0.238148 -0.733985 -0.039587 0.419356 -0.285179 31O 3px -1.301198 -1.186120 0.725470 -0.361734 -0.158274 -0.442587 31O 3py -0.027323 0.288219 0.747905 0.211768 -0.415870 -0.305419 31O 1dz2 0.001007 -0.000148 0.003634 0.002224 0.002343 -0.001805 31O 1dxz 0.005970 0.003278 -0.003788 0.005923 0.000151 0.005702 31O 1dyz 0.003333 -0.002087 -0.000329 -0.002362 0.000541 -0.001015 31O 1dx2y2 -0.003971 -0.004729 0.000534 -0.005669 0.002998 -0.003865 31O 1dxy -0.005514 -0.006742 0.006484 -0.003313 0.000810 -0.001471 31O 2dz2 -0.109223 -0.063819 0.109364 -0.021478 0.066709 -0.311291 31O 2dxz -0.231189 -0.212754 0.145462 -0.111479 -0.026046 0.049341 31O 2dyz -0.236986 -0.195189 0.126651 0.064779 -0.136324 0.058031 31O 2dx2y2 0.057250 0.281742 -0.002121 0.107070 -0.100693 0.044025 31O 2dxy 0.201774 -0.008027 -0.075883 0.145115 -0.003082 0.213022 31O 1f0 -0.015644 -0.016099 0.013215 -0.007458 -0.000178 -0.004406 31O 1f+1 0.001343 0.002238 0.001328 0.005540 -0.002131 0.001948 31O 1f-1 -0.003679 -0.004064 0.001291 -0.001574 -0.001393 -0.001669 31O 1f+2 0.005149 0.005144 -0.001533 0.003439 -0.001311 -0.000467 31O 1f-2 0.023718 0.016640 -0.011213 0.008232 0.003317 0.008943 31O 1f+3 -0.002996 0.002082 -0.000712 0.004625 -0.005224 0.002537 31O 1f-3 0.011502 0.006473 -0.008116 0.003960 0.003787 0.005680 32O 1s -0.000522 0.000507 -0.000457 -0.000826 -0.000929 -0.000170 32O 2s -0.001405 0.002841 -0.004516 -0.004210 -0.003227 -0.000823 32O 3s 0.002008 -0.043455 0.090546 0.060007 0.022505 0.012181 32O 4s 0.025358 0.172310 -0.417777 -0.240760 -0.068746 -0.044730 32O 5s -0.053418 -0.177010 0.603580 0.251448 0.169308 0.051063 32O 1pz -0.005296 0.006789 -0.004603 -0.027051 0.001019 0.007994 32O 1px -0.008490 -0.022210 0.044566 0.030004 0.000389 0.007218 32O 1py -0.000939 -0.042283 0.070742 0.036344 0.000348 0.010255 32O 2pz 0.090947 -0.016009 -0.025957 0.056704 0.012162 -0.041017 32O 2px 0.037482 -0.013320 -0.001382 0.022913 0.008550 -0.004894 32O 2py -0.007149 0.064630 -0.111132 -0.069267 -0.007168 -0.017326 32O 3pz -0.320674 0.066360 -0.031818 -0.042613 -0.073435 0.015695 32O 3px -0.145418 -0.069487 0.361101 0.194084 0.079982 -0.050010 32O 3py 0.072468 -0.044202 0.078740 0.000137 0.148739 0.040231 32O 1dz2 -0.000370 -0.000502 -0.000094 -0.000383 0.000519 0.001631 32O 1dxz 0.001765 -0.000115 -0.000812 0.000179 -0.000393 -0.001405 32O 1dyz -0.001338 -0.000090 0.001335 -0.001742 -0.001124 -0.002154 32O 1dx2y2 0.001108 -0.000793 0.000267 0.000001 0.000452 -0.000924 32O 1dxy 0.000218 0.000200 -0.001256 -0.000821 -0.001075 -0.001523 32O 2dz2 -0.064797 0.038381 -0.029951 -0.064064 -0.026884 -0.008901 32O 2dxz 0.098970 0.004545 -0.030076 0.054662 0.080496 0.003576 32O 2dyz 0.016894 -0.016698 -0.012623 0.104742 0.002820 -0.013035 32O 2dx2y2 0.022581 -0.000599 -0.033295 0.039307 -0.045690 0.009233 32O 2dxy 0.034554 -0.034240 0.058640 0.069773 0.065706 -0.033632 32O 1f0 0.003762 0.002993 -0.007946 -0.004519 0.000235 -0.001683 32O 1f+1 0.002206 -0.001659 0.002633 0.002730 0.000062 -0.000421 32O 1f-1 0.005901 0.003494 -0.010592 -0.004671 -0.000510 -0.003145 32O 1f+2 -0.001205 -0.001809 0.003645 0.000945 0.000439 0.002263 32O 1f-2 -0.008076 0.004812 -0.004537 -0.006674 -0.001305 0.001886 32O 1f+3 0.002734 -0.002596 0.001965 0.002588 0.001327 -0.000435 32O 1f-3 0.004827 -0.002555 0.000612 0.002842 -0.000201 -0.001528 33O 1s -0.000024 -0.002501 0.000299 -0.001270 0.000038 -0.000034 33O 2s -0.007414 -0.009567 -0.001798 -0.002973 0.000774 0.004337 33O 3s 0.192153 0.089848 0.076615 -0.009554 -0.019484 -0.110443 33O 4s -0.949644 -0.311169 -0.372392 0.106294 0.099717 0.571039 33O 5s -2.529839 -0.892761 -1.651680 0.488610 0.344954 0.970242 33O 1pz 0.016890 0.016805 0.012675 -0.049238 -0.045718 0.029032 33O 1px 0.071826 0.028861 0.015163 -0.047051 -0.027781 0.020520 33O 1py 0.016879 0.010980 0.045483 -0.037445 -0.060490 0.016830 33O 2pz -0.579050 -0.213092 -0.305084 0.102576 0.138559 0.249891 33O 2px 0.670898 0.246217 0.305591 -0.094858 -0.107019 -0.325539 33O 2py -0.088478 -0.058784 -0.080220 0.027691 0.060460 0.029211 33O 3pz 0.048530 0.086410 0.005630 0.220670 -0.265151 0.746989 33O 3px 1.193611 0.364322 0.925235 -0.115313 -0.299436 -0.681723 33O 3py 0.563557 0.580966 0.045610 0.020033 -0.026534 0.324363 33O 1dz2 -0.003188 -0.000358 -0.000941 0.004719 0.000374 -0.001967 33O 1dxz -0.010233 -0.001227 -0.003734 0.002974 0.003512 0.006999 33O 1dyz -0.000442 -0.003046 -0.004043 0.001454 0.005290 0.000725 33O 1dx2y2 0.006557 0.005791 0.001487 -0.001183 -0.004394 -0.000469 33O 1dxy -0.000887 -0.000729 0.000588 -0.001235 0.000028 0.002008 33O 2dz2 -0.007632 0.042265 0.187560 -0.075354 -0.170117 0.013864 33O 2dxz 0.298682 0.139133 0.071875 -0.087070 -0.049377 -0.137287 33O 2dyz -0.029033 0.045627 -0.193777 -0.021723 -0.003035 0.125655 33O 2dx2y2 -0.235466 -0.047777 -0.178354 0.022676 0.079811 0.043040 33O 2dxy 0.003228 -0.194875 -0.018132 -0.063661 -0.042535 -0.133534 33O 1f0 0.005787 0.005262 0.004870 -0.001667 -0.002694 -0.003202 33O 1f+1 0.009136 0.004328 0.006641 0.000746 0.000009 -0.007818 33O 1f-1 -0.006155 -0.003520 -0.001181 0.001899 0.005174 0.007648 33O 1f+2 -0.021530 -0.007307 -0.012321 0.006741 0.004023 0.008890 33O 1f-2 0.006973 0.002738 0.005604 -0.002593 -0.000747 -0.000603 33O 1f+3 -0.013293 -0.002458 -0.010885 0.006619 0.007271 0.007366 33O 1f-3 -0.002577 -0.004566 -0.001697 -0.000008 0.004147 -0.003258 34O 1s 0.001296 0.003434 0.004360 0.003274 -0.000411 0.000965 34O 2s -0.002815 0.008830 0.014637 0.005641 -0.001332 0.000962 34O 3s 0.160349 -0.009658 -0.095363 0.054426 0.019088 0.039894 34O 4s -0.830326 -0.306616 0.211507 -0.443989 -0.074530 -0.346324 34O 5s -2.475640 0.856731 0.585630 -0.860496 -0.681534 -0.208731 34O 1pz 0.028727 -0.032134 -0.014276 -0.048874 0.034990 -0.020032 34O 1px -0.074687 0.003204 0.012291 -0.004364 -0.023666 0.014280 34O 1py -0.032492 0.040394 0.002209 0.042248 -0.079552 -0.010073 34O 2pz 0.045361 0.019919 -0.004968 0.083528 -0.015457 0.022343 34O 2px -0.807382 -0.083129 0.226355 -0.289097 -0.146496 -0.215022 34O 2py 0.179533 0.012048 -0.033946 0.009002 0.076416 0.030094 34O 3pz 0.639767 -0.180302 -0.216982 -0.009920 0.128729 0.380160 34O 3px -0.794376 -0.076911 0.111059 -0.521261 -0.263630 -0.188884 34O 3py -0.681356 -0.015606 0.158206 0.178089 0.081897 0.220596 34O 1dz2 -0.005439 0.001661 0.003309 0.000821 0.000792 -0.002656 34O 1dxz -0.001724 0.002524 0.002679 0.000210 -0.000324 -0.000531 34O 1dyz -0.000084 0.002974 -0.001155 -0.005026 0.002595 0.004023 34O 1dx2y2 0.009593 0.003813 -0.002797 0.001693 0.006311 0.002011 34O 1dxy -0.002857 -0.002859 -0.001224 -0.000649 0.000660 0.001544 34O 2dz2 0.193549 0.092848 0.022836 0.101811 0.003776 -0.054720 34O 2dxz 0.136896 0.012876 -0.024157 -0.096382 0.057736 0.130347 34O 2dyz -0.015675 -0.073853 -0.006315 0.030750 -0.072207 -0.005378 34O 2dx2y2 -0.321207 -0.028513 0.100097 0.061518 -0.176660 0.008198 34O 2dxy 0.028057 -0.114240 -0.046723 0.179973 -0.047524 0.119193 34O 1f0 -0.006088 0.006097 0.001087 0.000420 -0.001303 0.000406 34O 1f+1 0.017686 -0.001059 -0.003702 0.006815 0.007436 -0.001044 34O 1f-1 -0.004329 0.000258 0.000850 -0.004148 -0.001869 0.002321 34O 1f+2 0.005611 0.005464 -0.002289 -0.004839 0.005026 0.002969 34O 1f-2 0.005569 0.002284 -0.003337 -0.003081 0.002625 0.003174 34O 1f+3 0.017638 -0.007717 -0.003777 0.002720 0.005703 0.003148 34O 1f-3 -0.009469 0.004605 0.005231 -0.008624 0.004136 -0.004437 35O 1s -0.001733 -0.004333 -0.000640 0.002499 0.001308 -0.002364 35O 2s 0.003582 -0.010997 -0.005183 0.007735 0.001518 -0.012709 35O 3s -0.201086 0.001944 0.097636 -0.051101 0.032869 0.181734 35O 4s 1.039034 0.364396 -0.328466 0.099427 -0.201972 -0.722376 35O 5s 2.625313 -0.239867 -1.883406 0.564391 -0.389214 -2.250235 35O 1pz 0.019758 0.001843 0.032851 -0.054777 -0.061328 0.026959 35O 1px 0.081146 -0.016412 -0.016772 0.017149 0.040999 -0.041837 35O 1py 0.028793 0.027357 0.007574 0.008908 -0.055940 0.009268 35O 2pz 0.076077 0.021487 -0.069798 0.100288 0.027188 -0.121287 35O 2px 0.852173 0.166638 -0.342239 0.142499 -0.132229 -0.635610 35O 2py 0.367132 0.068606 -0.179243 0.076238 -0.009138 -0.302158 35O 3pz -0.782587 0.182910 -0.109900 -0.200877 -0.037139 0.201397 35O 3px 1.026347 0.311591 -0.981588 0.256598 -0.330874 -1.184306 35O 3py 0.024388 0.011909 -0.119892 -0.124622 -0.195174 -0.560220 35O 1dz2 0.003206 0.002528 0.000839 0.005825 -0.001281 -0.008410 35O 1dxz -0.001604 -0.001857 0.000415 -0.000228 -0.000511 0.000266 35O 1dyz -0.001839 0.003770 -0.000660 0.000770 0.004915 -0.003090 35O 1dx2y2 -0.006532 0.000214 0.002593 0.001398 -0.002538 0.004743 35O 1dxy -0.006361 -0.002123 0.001551 -0.001264 0.000155 0.003719 35O 2dz2 -0.154776 -0.032147 0.110431 -0.050506 -0.109805 0.101220 35O 2dxz 0.001418 0.027402 -0.016773 -0.108025 -0.054011 0.015634 35O 2dyz 0.061969 -0.007081 -0.167832 -0.059384 -0.128713 -0.044265 35O 2dx2y2 0.276893 0.130509 -0.122022 0.180589 0.104623 -0.218758 35O 2dxy 0.268356 -0.038340 -0.047703 0.026641 -0.112505 -0.280808 35O 1f0 -0.005674 0.000565 0.004478 0.004286 0.001905 0.000718 35O 1f+1 -0.014422 -0.001630 0.013112 -0.001995 -0.001244 0.011848 35O 1f-1 -0.007932 0.005025 0.009127 0.002055 0.001613 0.002467 35O 1f+2 -0.001015 -0.002941 0.000471 -0.002862 -0.008333 0.001810 35O 1f-2 0.008611 0.002456 -0.003985 0.000173 -0.002657 -0.007775 35O 1f+3 -0.010084 0.000236 0.007628 -0.005693 -0.003661 0.009292 35O 1f-3 -0.024986 -0.000581 0.016809 -0.008775 0.005702 0.025840 366 367 368 369 370 371 1.89863 1.90234 1.91435 1.92786 1.94552 1.95490 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s 0.000503 0.000035 -0.000167 0.000442 0.000375 0.000017 0Rh 2s -0.000884 0.000761 0.001336 -0.002601 -0.000640 -0.000114 0Rh 3s 0.002419 0.000674 -0.000166 0.001010 0.001810 0.000032 0Rh 4s 0.004165 -0.003859 -0.006660 0.012876 0.002893 0.000561 0Rh 5s 0.004047 0.010667 0.011911 -0.019327 0.005172 -0.000839 0Rh 6s -0.042591 -0.017818 -0.005202 -0.005604 -0.043630 -0.000509 0Rh 7s -0.149702 -0.217615 -0.005925 0.079434 0.313449 0.071511 0Rh 8s -0.140081 -0.104152 -0.027804 0.159850 0.041193 0.001750 0Rh 1pz 0.007803 0.005352 -0.012018 0.012437 0.012033 -0.000824 0Rh 1px -0.001048 -0.000018 -0.012443 0.009503 -0.018529 0.001620 0Rh 1py -0.011318 -0.012239 0.007053 0.019444 0.011184 -0.002291 0Rh 2pz -0.026672 -0.018248 0.040733 -0.042017 -0.041709 0.002567 0Rh 2px 0.003159 -0.000318 0.042915 -0.032984 0.064680 -0.005564 0Rh 2py 0.038540 0.041725 -0.023989 -0.066534 -0.037811 0.008195 0Rh 3pz 0.005422 0.002187 -0.000089 -0.002193 0.018175 0.005630 0Rh 3px 0.009385 0.008889 -0.015465 0.016376 -0.038529 0.001583 0Rh 3py -0.002385 -0.005020 0.001533 0.012768 -0.002474 -0.009837 0Rh 4pz 0.141003 0.106068 -0.251747 0.264589 0.194211 -0.043486 0Rh 4px -0.065583 -0.040032 -0.206830 0.140165 -0.255510 0.027861 0Rh 4py -0.239649 -0.241243 0.144304 0.365127 0.245702 -0.006755 0Rh 5pz -0.223973 -0.182565 0.399079 -0.412088 -0.331726 0.094803 0Rh 5px 0.170362 0.115152 0.335482 -0.226117 0.431810 -0.044540 0Rh 5py 0.427614 0.402888 -0.237987 -0.589715 -0.399829 -0.015649 0Rh 6pz 0.814626 0.319965 -0.783214 0.927206 0.715226 -0.338714 0Rh 6px -0.693322 -0.507162 -0.730008 0.596610 -1.382911 0.012311 0Rh 6py -0.426650 -1.180204 0.499524 1.115432 0.891941 0.128844 0Rh 1dz2 -0.002927 -0.004439 -0.008003 -0.003583 0.011345 -0.010312 0Rh 1dxz 0.001430 0.001653 -0.001591 -0.010185 0.007357 0.000047 0Rh 1dyz 0.009575 -0.011415 0.005327 0.001147 -0.002658 0.003462 0Rh 1dx2y2 -0.005199 -0.004543 -0.009106 0.000458 -0.003619 -0.002978 0Rh 1dxy 0.007304 -0.001614 -0.001385 -0.002151 -0.003662 -0.005786 0Rh 2dz2 0.000623 0.000545 0.000233 0.002311 -0.001536 0.001421 0Rh 2dxz -0.000247 -0.000440 0.000355 0.001363 -0.003326 -0.000587 0Rh 2dyz -0.000007 0.001101 -0.001897 0.001131 0.003147 -0.000273 0Rh 2dx2y2 0.002010 0.001406 0.003012 -0.001135 0.003007 0.000167 0Rh 2dxy 0.000181 -0.000809 -0.000528 -0.001315 0.001324 0.001086 0Rh 3dz2 0.004685 0.008691 0.019433 -0.001277 -0.021886 0.020018 0Rh 3dxz -0.002344 -0.002165 0.002310 0.019681 -0.003699 0.002459 0Rh 3dyz -0.023829 0.023612 -0.005050 -0.007992 -0.007152 -0.007696 0Rh 3dx2y2 0.004182 0.005225 0.009480 0.003994 -0.004529 0.006875 0Rh 3dxy -0.019157 0.007285 0.005835 0.011475 0.003442 0.009951 0Rh 4dz2 0.009190 0.009682 0.000531 0.037673 -0.027335 0.020590 0Rh 4dxz -0.007563 -0.008400 0.009331 0.023099 -0.056047 -0.008290 0Rh 4dyz -0.004223 0.022050 -0.029703 0.018255 0.045995 -0.003967 0Rh 4dx2y2 0.032583 0.022481 0.050345 -0.018661 0.051489 0.001746 0Rh 4dxy 0.002342 -0.005258 -0.008686 -0.023852 0.018395 0.016103 0Rh 5dz2 -0.031133 -0.031638 0.047122 -0.166031 0.113868 -0.033468 0Rh 5dxz 0.061380 0.050924 -0.088663 -0.074743 0.242390 0.023001 0Rh 5dyz -0.011432 -0.093596 0.120427 -0.089223 -0.144891 0.023611 0Rh 5dx2y2 -0.154232 -0.100432 -0.215021 0.069452 -0.212258 0.011886 0Rh 5dxy -0.067089 -0.039946 0.065461 0.142701 -0.011367 -0.032446 0Rh 1f0 0.002851 -0.089952 0.088656 0.062902 0.019277 -0.130506 0Rh 1f+1 -0.016836 0.068991 0.037961 0.009440 0.012689 0.032495 0Rh 1f-1 0.144281 -0.079173 -0.080698 0.194695 0.128161 -0.003668 0Rh 1f+2 0.014733 -0.046672 0.099957 -0.099043 0.098120 -0.036760 0Rh 1f-2 -0.158401 0.064653 0.035170 0.041578 0.043961 -0.008566 0Rh 1f+3 0.088242 0.082904 -0.005736 0.029235 0.022128 -0.049883 0Rh 1f-3 0.065759 -0.140146 0.009233 -0.024689 0.026751 -0.048438 1Rh 1s 0.000465 0.000024 0.000125 -0.000403 -0.000404 0.000014 1Rh 2s -0.000726 0.000824 -0.001176 0.002421 0.000765 -0.000121 1Rh 3s 0.002291 0.000645 0.000017 -0.000890 -0.001907 0.000007 1Rh 4s 0.003394 -0.004174 0.005874 -0.011988 -0.003505 0.000603 1Rh 5s 0.004842 0.011127 -0.011183 0.018248 -0.004491 -0.001110 1Rh 6s -0.040796 -0.017625 0.007377 0.004199 0.044891 0.000480 1Rh 7s -0.168715 -0.218037 -0.002612 -0.065707 -0.321964 0.063176 1Rh 8s -0.130119 -0.110317 0.028262 -0.161317 -0.043744 -0.001454 1Rh 1pz -0.007899 -0.005491 -0.011497 0.012010 0.011876 0.001397 1Rh 1px 0.000747 0.000393 -0.012449 0.009232 -0.018613 -0.002134 1Rh 1py 0.011468 0.011739 0.007391 0.019581 0.011147 0.002778 1Rh 2pz 0.027022 0.018725 0.038956 -0.040538 -0.041175 -0.004537 1Rh 2px -0.002121 -0.000979 0.042939 -0.032053 0.064976 0.007365 1Rh 2py -0.039012 -0.040051 -0.025144 -0.067005 -0.037662 -0.009843 1Rh 3pz -0.005838 -0.002313 0.000142 -0.002890 0.018168 -0.005073 1Rh 3px -0.009738 -0.008327 -0.015567 0.016165 -0.038750 -0.002754 1Rh 3py 0.001799 0.005290 0.001739 0.012892 -0.003099 0.009724 1Rh 4pz -0.141946 -0.108466 -0.241357 0.258317 0.190752 0.053776 1Rh 4px 0.060466 0.045850 -0.206594 0.135145 -0.256635 -0.034626 1Rh 4py 0.244173 0.230353 0.150492 0.367627 0.247792 0.017525 1Rh 5pz 0.226324 0.186277 0.381237 -0.402940 -0.325434 -0.112016 1Rh 5px -0.161497 -0.124500 0.335341 -0.217578 0.434041 0.056042 1Rh 5py -0.432980 -0.386988 -0.247287 -0.593941 -0.405720 -0.001942 1Rh 6pz -0.795891 -0.330538 -0.746708 0.909067 0.703811 0.376662 1Rh 6px 0.655829 0.529085 -0.732033 0.576692 -1.384322 -0.047805 1Rh 6py 0.449697 1.145230 0.530644 1.123224 0.914632 -0.089780 1Rh 1dz2 -0.003098 -0.004296 0.007910 0.003685 -0.010976 -0.010628 1Rh 1dxz 0.001384 0.001611 0.001804 0.010180 -0.007402 -0.000146 1Rh 1dyz 0.009211 -0.011031 -0.005408 -0.000924 0.002431 0.003503 1Rh 1dx2y2 -0.005208 -0.004573 0.009292 -0.000552 0.003478 -0.002812 1Rh 1dxy 0.007431 -0.001899 0.001112 0.002215 0.004093 -0.005581 1Rh 2dz2 0.000760 0.000478 -0.000176 -0.002335 0.001486 0.001425 1Rh 2dxz -0.000246 -0.000444 -0.000386 -0.001369 0.003351 -0.000488 1Rh 2dyz 0.000191 0.000934 0.001924 -0.001158 -0.003101 -0.000412 1Rh 2dx2y2 0.001958 0.001438 -0.003072 0.001173 -0.003005 0.000079 1Rh 2dxy 0.000158 -0.000813 0.000527 0.001320 -0.001422 0.001029 1Rh 3dz2 0.004498 0.008639 -0.019445 0.001127 0.021165 0.020808 1Rh 3dxz -0.002240 -0.002040 -0.002710 -0.019641 0.003703 0.002497 1Rh 3dyz -0.023802 0.023392 0.005129 0.007555 0.007527 -0.007183 1Rh 3dx2y2 0.004438 0.005160 -0.009685 -0.003927 0.004877 0.006858 1Rh 3dxy -0.019377 0.008023 -0.005155 -0.011657 -0.004108 0.009680 1Rh 4dz2 0.011518 0.008455 0.000295 -0.038021 0.026625 0.020706 1Rh 4dxz -0.007495 -0.008480 -0.009719 -0.023207 0.056455 -0.006548 1Rh 4dyz -0.000829 0.019244 0.030331 -0.018770 -0.045291 -0.006066 1Rh 4dx2y2 0.031736 0.022986 -0.051279 0.019238 -0.051385 0.000210 1Rh 4dxy 0.002013 -0.005363 0.008978 0.023899 -0.019818 0.015321 1Rh 5dz2 -0.043733 -0.024321 -0.051019 0.166707 -0.113052 -0.033442 1Rh 5dxz 0.061998 0.050751 0.088033 0.075123 -0.244386 0.014450 1Rh 5dyz -0.031381 -0.077938 -0.127354 0.090837 0.141643 0.031461 1Rh 5dx2y2 -0.151506 -0.101569 0.218576 -0.071885 0.211876 0.018446 1Rh 5dxy -0.067216 -0.037116 -0.069165 -0.143252 0.014727 -0.031593 1Rh 1f0 -0.000731 0.086882 0.090837 0.062131 0.012630 0.131261 1Rh 1f+1 0.021144 -0.071424 0.042719 0.009485 0.013470 -0.032980 1Rh 1f-1 -0.138972 0.074280 -0.078197 0.191407 0.125578 0.010505 1Rh 1f+2 -0.017126 0.046091 0.098829 -0.095840 0.096786 0.038835 1Rh 1f-2 0.167150 -0.073583 0.038682 0.044977 0.043652 0.010474 1Rh 1f+3 -0.090389 -0.080557 -0.004943 0.026641 0.020777 0.050929 1Rh 1f-3 -0.062433 0.138262 0.010811 -0.025530 0.027326 0.049515 2C 1s 0.008101 -0.013390 0.002021 -0.000449 0.000838 -0.001698 2C 2s 0.031245 -0.050452 0.009547 -0.007504 0.002589 -0.006613 2C 3s -0.529042 0.636077 -0.140476 0.138605 -0.189545 0.119296 2C 4s 2.011247 -1.789580 0.344322 -0.250596 1.189841 -0.446126 2C 5s 1.155495 -2.390479 0.033354 0.075674 0.241398 -0.052896 2C 1pz -0.130005 0.126479 0.043713 0.078472 -0.032386 -0.006126 2C 1px -0.039731 0.138587 -0.091424 0.162401 0.045876 -0.002569 2C 1py 0.042695 0.201222 -0.174587 -0.045869 0.067506 0.088370 2C 2pz 1.218323 -0.755148 -0.097843 -0.256814 0.692276 -0.161310 2C 2px 0.113240 -0.581304 0.374589 -0.613469 0.010842 -0.056799 2C 2py 0.331326 -0.927190 0.571345 0.097040 0.212988 -0.288175 2C 3pz 0.472285 -0.750670 0.165419 0.006262 0.119527 -0.140764 2C 3px -0.025582 -0.266598 0.058397 -0.115009 -0.118330 -0.008971 2C 3py 0.315685 -0.443603 -0.112503 -0.090493 0.116617 0.057131 2C 1dz2 -0.038926 0.001910 -0.003775 0.008854 -0.029817 0.015056 2C 1dxz -0.005473 -0.001135 0.011307 0.008398 0.013909 0.005624 2C 1dyz -0.036192 0.000102 0.008049 0.004221 -0.031951 0.000292 2C 1dx2y2 -0.006567 -0.031573 0.014910 -0.005455 -0.013831 0.005414 2C 1dxy 0.028775 0.018115 -0.020578 -0.005739 0.028579 -0.004242 2C 2dz2 0.441303 -0.198912 -0.044511 -0.074268 0.228746 -0.071367 2C 2dxz 0.088308 -0.158692 0.042447 -0.052591 0.152751 -0.050511 2C 2dyz 0.473713 -0.484545 0.170703 -0.127652 0.287440 -0.131650 2C 2dx2y2 -0.146114 0.097979 -0.005969 -0.083587 -0.070130 0.031724 2C 2dxy 0.062737 -0.125278 0.042231 -0.107306 0.064088 -0.026647 2C 1f0 -0.041081 -0.042822 0.030807 -0.009342 -0.047629 0.005766 2C 1f+1 0.021682 0.002603 -0.008049 -0.039078 0.016190 -0.004004 2C 1f-1 0.023467 0.056884 -0.034435 0.033277 0.051431 0.003867 2C 1f+2 -0.003543 0.003792 -0.017086 0.012495 -0.006900 0.003051 2C 1f-2 0.002590 0.006658 0.000930 0.026177 0.042059 0.002162 2C 1f+3 -0.045327 -0.037616 0.036055 0.003782 -0.027646 0.000215 2C 1f-3 -0.005563 -0.030241 0.026062 -0.049527 -0.024517 0.006937 3C 1s -0.011109 0.008625 -0.000085 -0.000964 0.001484 0.003015 3C 2s -0.040475 0.034955 0.002201 -0.004461 0.007675 0.010346 3C 3s 0.372356 -0.633447 0.088143 0.261059 -0.149190 -0.138060 3C 4s -0.579029 2.481531 -0.826486 -1.458503 0.471568 0.402098 3C 5s -1.964231 1.908145 0.141433 -0.105042 -0.283247 -0.041678 3C 1pz 0.020021 -0.019013 0.176662 0.034693 -0.003615 -0.068773 3C 1px 0.147213 -0.027102 0.000047 0.039997 -0.170969 -0.031988 3C 1py -0.153814 0.107860 0.185273 0.041571 -0.009030 0.023504 3C 2pz 0.019409 0.674396 -0.866628 -0.570521 0.042131 0.196196 3C 2px -0.421127 0.445123 -0.144958 -0.395113 0.589306 -0.023192 3C 2py 0.381756 -1.306821 -0.137156 0.519909 -0.103881 -0.179950 3C 3pz -0.322841 0.339037 0.082201 -0.080153 -0.094690 -0.006021 3C 3px -0.264403 0.183868 0.101475 0.024671 -0.096749 -0.017857 3C 3py 0.572054 -0.663783 0.086901 0.140147 -0.115324 -0.111393 3C 1dz2 -0.006387 -0.006119 -0.013094 -0.000838 0.003091 0.002963 3C 1dxz 0.027871 0.005383 0.023957 0.021479 -0.000641 0.016500 3C 1dyz 0.033430 0.051257 -0.029159 -0.046694 0.011604 -0.005897 3C 1dx2y2 0.000969 0.038395 0.012540 -0.004404 0.014940 0.013112 3C 1dxy -0.009838 0.007950 0.003657 -0.000619 -0.018758 -0.004654 3C 2dz2 0.056342 -0.141898 -0.110933 0.053051 -0.037282 0.005761 3C 2dxz -0.000072 0.206550 -0.140222 -0.152638 0.036942 -0.019628 3C 2dyz 0.116258 -0.555007 0.138461 0.335042 -0.111536 -0.106535 3C 2dx2y2 0.055131 -0.423283 0.106248 0.225045 -0.001802 -0.108628 3C 2dxy 0.069275 -0.377265 0.140064 0.265350 -0.141980 0.034419 3C 1f0 -0.031095 0.003963 0.068206 0.037944 0.003591 0.011243 3C 1f+1 -0.038781 -0.007558 0.019822 0.006389 0.033111 -0.010885 3C 1f-1 0.012258 0.008143 -0.039006 -0.057538 -0.000932 -0.011074 3C 1f+2 -0.059569 -0.022353 0.051231 0.047419 0.017748 0.002289 3C 1f-2 -0.018713 -0.015767 0.028249 0.035023 -0.018174 0.006207 3C 1f+3 0.036962 0.030299 0.033353 0.006167 -0.003262 0.000625 3C 1f-3 0.040380 0.019646 -0.022053 0.000432 -0.017179 0.003108 4C 1s -0.007596 0.010600 -0.003450 0.010485 0.000033 0.000957 4C 2s -0.024912 0.036480 -0.012416 0.035464 0.000319 0.003548 4C 3s 0.430254 -0.977475 0.470679 -0.911811 -0.322070 -0.157561 4C 4s -1.495074 4.219760 -2.107317 3.644392 1.552328 0.744942 4C 5s -0.017526 1.307968 -1.042255 1.958352 1.053555 0.110888 4C 1pz -0.017388 -0.167011 0.058225 -0.218088 -0.139988 0.013356 4C 1px 0.023292 0.071264 -0.130662 0.057047 -0.187867 0.065241 4C 1py -0.053434 -0.103060 0.108781 0.001392 -0.171691 -0.072633 4C 2pz 0.949561 0.463486 -0.487026 1.136735 0.805230 -0.205442 4C 2px -0.325383 -0.841582 0.939469 -0.644152 2.224045 -0.551007 4C 2py 0.662127 0.053740 -0.296432 0.010222 1.443624 0.319744 4C 3pz 1.365694 -2.534981 -0.215392 0.473503 0.238538 -0.126058 4C 3px 0.823609 -0.782391 0.131847 -0.171983 0.761628 -0.167793 4C 3py 1.135911 -1.826768 0.176664 0.337215 0.519078 -0.209034 4C 1dz2 -0.012014 0.008510 0.007785 0.022933 0.016582 0.009360 4C 1dxz -0.017725 -0.003512 0.023256 0.011357 -0.009781 0.003458 4C 1dyz -0.039718 0.003727 -0.004732 0.020060 -0.021772 0.001654 4C 1dx2y2 -0.001346 -0.002906 0.027606 -0.005698 -0.003952 0.003246 4C 1dxy 0.008165 0.020612 -0.018157 -0.006179 0.013508 0.004012 4C 2dz2 -0.126630 0.321156 -0.159640 -0.017522 -0.655546 -0.039991 4C 2dxz -0.489168 -0.358727 0.506000 -0.738791 0.158280 -0.232474 4C 2dyz -0.383728 0.449317 -0.140988 0.147125 -0.175886 0.202738 4C 2dx2y2 0.329348 0.339540 -0.360561 0.640807 0.670428 -0.180796 4C 2dxy -0.471092 -0.159389 0.147277 0.022629 0.434380 0.023351 4C 1f0 0.014926 -0.016762 -0.001693 -0.035683 -0.004995 0.010199 4C 1f+1 -0.006785 -0.055970 0.028147 -0.053985 -0.032561 0.001002 4C 1f-1 0.018650 -0.078590 0.028049 -0.052075 -0.050548 0.000708 4C 1f+2 -0.013355 0.063596 -0.051171 0.044546 0.004887 0.049033 4C 1f-2 0.034476 -0.026409 0.008049 -0.041334 0.022579 0.013120 4C 1f+3 0.011753 0.021383 0.000175 0.019990 -0.018155 -0.036325 4C 1f-3 0.020235 -0.008103 0.002263 -0.029444 -0.046119 0.012272 5C 1s 0.009288 -0.008932 -0.004868 0.002440 -0.005053 -0.001243 5C 2s 0.031650 -0.029413 -0.015744 0.008506 -0.017554 -0.005288 5C 3s -0.879967 0.507571 0.590350 0.059619 0.454020 0.241192 5C 4s 3.750753 -1.831731 -2.505678 -0.431253 -1.874583 -1.164188 5C 5s 1.292860 -0.237946 -1.550831 -0.430244 -0.843904 -0.172249 5C 1pz -0.092075 -0.008291 0.016948 0.104477 0.112179 0.052636 5C 1px -0.219475 -0.200188 0.054002 0.140800 -0.159002 0.126691 5C 1py 0.247396 0.042557 -0.299458 -0.154890 -0.054583 0.009248 5C 2pz 0.206473 0.359379 -0.456910 -0.620557 -0.549509 -0.136724 5C 2px 1.596842 1.898135 -0.324085 -1.225765 1.198511 -1.199210 5C 2py -0.967062 -0.947031 1.660884 1.293585 0.307151 -0.283497 5C 3pz -1.268360 1.087482 -0.272242 0.164727 -0.120569 0.168981 5C 3px -0.526772 1.407053 0.015209 -0.419697 0.349122 0.069135 5C 3py 2.098012 -2.003176 0.177219 0.307478 0.389513 -0.212348 5C 1dz2 -0.011313 0.006498 -0.006614 -0.039285 -0.013988 0.006549 5C 1dxz 0.010940 -0.006365 0.021269 0.004639 -0.014156 0.007950 5C 1dyz -0.002029 0.033685 -0.009983 -0.002386 0.022077 -0.003712 5C 1dx2y2 0.008574 0.024903 0.014291 -0.029566 0.003381 -0.002780 5C 1dxy 0.009348 0.026226 0.016070 -0.001861 -0.012952 -0.000120 5C 2dz2 -0.291797 0.004199 0.252800 0.166398 0.069098 0.086368 5C 2dxz -0.226232 -0.180551 0.348587 0.093589 0.334181 -0.327853 5C 2dyz -0.151414 0.568712 0.094114 -0.224529 0.342524 0.020579 5C 2dx2y2 0.461984 0.644299 -0.707148 -0.627553 0.030506 -0.469161 5C 2dxy -0.267874 -0.009167 -0.312682 -0.103180 -0.465982 0.423896 5C 1f0 0.017999 -0.007431 -0.009030 -0.014487 -0.006171 -0.031502 5C 1f+1 -0.025698 -0.003235 0.026354 0.029412 0.003237 0.003517 5C 1f-1 0.013186 0.019978 0.027217 -0.021181 -0.001649 -0.042969 5C 1f+2 0.057279 -0.029455 -0.040029 -0.003436 -0.009389 0.020564 5C 1f-2 0.040701 -0.037436 -0.042425 -0.012023 -0.046527 -0.022292 5C 1f+3 -0.080776 -0.000626 0.051197 0.016103 0.024224 0.014439 5C 1f-3 0.031502 -0.013451 -0.041927 -0.017331 -0.009642 -0.016498 6C 1s 0.009610 -0.009365 0.004706 -0.002372 0.005092 -0.001146 6C 2s 0.032778 -0.030915 0.015238 -0.008317 0.017728 -0.004906 6C 3s -0.897791 0.537673 -0.586890 -0.062009 -0.462787 0.227184 6C 4s 3.812763 -1.948451 2.501894 0.436381 1.917109 -1.100800 6C 5s 1.311445 -0.272770 1.544546 0.435395 0.853694 -0.147775 6C 1pz 0.088136 0.011035 0.020496 0.102810 0.112517 -0.047520 6C 1px 0.214941 0.203576 0.052527 0.144544 -0.149725 -0.131803 6C 1py -0.242511 -0.047480 -0.299530 -0.156233 -0.054375 -0.009701 6C 2pz -0.180978 -0.383167 -0.478392 -0.614261 -0.537465 0.113582 6C 2px -1.553173 -1.936960 -0.308411 -1.247089 1.114163 1.240033 6C 2py 0.923184 0.991934 1.671486 1.298535 0.291525 0.288220 6C 3pz 1.254301 -1.079222 -0.278533 0.172982 -0.113589 -0.171473 6C 3px 0.561401 -1.436422 -0.005476 -0.428038 0.348028 -0.060004 6C 3py -2.088701 1.994250 0.193355 0.292743 0.377921 0.230456 6C 1dz2 -0.011344 0.006420 0.006159 0.039377 0.013945 0.007432 6C 1dxz 0.010710 -0.007212 -0.021043 -0.004673 0.013859 0.008288 6C 1dyz -0.003011 0.035033 0.010386 0.001871 -0.021729 -0.004569 6C 1dx2y2 0.007614 0.025689 -0.013997 0.029245 -0.002975 -0.002482 6C 1dxy 0.007863 0.027507 -0.015203 0.001234 0.012788 0.000333 6C 2dz2 -0.302671 0.013143 -0.244031 -0.166184 -0.079573 0.083437 6C 2dxz -0.216394 -0.179417 -0.368432 -0.090549 -0.317575 -0.337384 6C 2dyz -0.164246 0.588922 -0.100746 0.223167 -0.333595 0.008035 6C 2dx2y2 0.455280 0.647649 0.694122 0.629797 -0.005764 -0.470839 6C 2dxy -0.271698 -0.002313 0.325916 0.103718 0.432799 0.438960 6C 1f0 -0.018073 0.007081 -0.008190 -0.014615 -0.007501 0.031081 6C 1f+1 0.026421 0.003054 0.025334 0.029769 0.003447 -0.003353 6C 1f-1 -0.012658 -0.020015 0.026374 -0.021083 -0.002978 0.042293 6C 1f+2 -0.057873 0.030768 -0.040371 -0.003472 -0.008839 -0.020686 6C 1f-2 -0.042092 0.039439 -0.042141 -0.011982 -0.046820 0.020571 6C 1f+3 0.080262 -0.000206 0.051772 0.016068 0.025577 -0.013771 6C 1f-3 -0.031294 0.013806 -0.041946 -0.017413 -0.010081 0.016203 7C 1s -0.008236 0.010992 0.003561 -0.010660 -0.000074 0.000905 7C 2s -0.027181 0.037835 0.012803 -0.036133 -0.000441 0.003307 7C 3s 0.458159 -1.000393 -0.474714 0.932194 0.323339 -0.130946 7C 4s -1.584368 4.302560 2.122334 -3.736349 -1.551986 0.613283 7C 5s -0.038311 1.339205 1.043428 -1.973208 -1.048846 0.049607 7C 1pz 0.039135 0.159620 0.053961 -0.219912 -0.139207 -0.020628 7C 1px -0.023726 -0.069679 -0.140698 0.060529 -0.189020 -0.068728 7C 1py 0.064490 0.101025 0.105144 -0.001944 -0.177096 0.067190 7C 2pz -1.109815 -0.406002 -0.454949 1.129413 0.801865 0.246567 7C 2px 0.329899 0.836526 1.033144 -0.663338 2.239295 0.604296 7C 2py -0.753922 -0.028364 -0.253562 0.015621 1.476759 -0.274613 7C 3pz -1.359928 2.521017 -0.202587 0.452106 0.241563 0.145370 7C 3px -0.834056 0.792585 0.164220 -0.190528 0.762785 0.187717 7C 3py -1.140850 1.827854 0.197889 0.316550 0.519011 0.232678 7C 1dz2 -0.013780 0.009686 -0.007681 -0.022660 -0.016914 0.008734 7C 1dxz -0.018895 -0.002219 -0.022776 -0.011322 0.009586 0.003890 7C 1dyz -0.042316 0.005141 0.005361 -0.020117 0.021558 0.002187 7C 1dx2y2 -0.000439 -0.002766 -0.027402 0.005048 0.003608 0.003330 7C 1dxy 0.006139 0.020967 0.017878 0.006457 -0.013244 0.003856 7C 2dz2 -0.142678 0.320098 0.178400 0.015176 0.663857 -0.023151 7C 2dxz -0.522590 -0.347279 -0.516556 0.743663 -0.162778 -0.225988 7C 2dyz -0.424485 0.467182 0.151539 -0.158885 0.180475 0.201829 7C 2dx2y2 0.342555 0.340165 0.348107 -0.640841 -0.666119 -0.213537 7C 2dxy -0.481223 -0.143845 -0.156007 -0.029670 -0.451718 0.006594 7C 1f0 -0.014249 0.016933 -0.001610 -0.035509 -0.004831 -0.010975 7C 1f+1 0.006737 0.056281 0.027110 -0.054095 -0.031929 -0.002987 7C 1f-1 -0.018723 0.079075 0.027459 -0.053581 -0.049830 -0.003848 7C 1f+2 0.012975 -0.064772 -0.052730 0.046689 0.006052 -0.048002 7C 1f-2 -0.034215 0.026654 0.008899 -0.042070 0.022943 -0.013222 7C 1f+3 -0.011243 -0.021015 0.000100 0.019088 -0.020345 0.035835 7C 1f-3 -0.018969 0.008064 0.001400 -0.029768 -0.046329 -0.014148 8C 1s -0.011227 0.008806 0.000100 0.000974 -0.001617 0.002959 8C 2s -0.041075 0.035852 -0.002087 0.004457 -0.008112 0.010068 8C 3s 0.389479 -0.655903 -0.091034 -0.261731 0.154821 -0.132485 8C 4s -0.654711 2.574890 0.838041 1.462799 -0.487329 0.383609 8C 5s -1.958147 1.899243 -0.115123 0.085257 0.283705 -0.025744 8C 1pz -0.022124 0.020037 0.174302 0.036963 -0.006805 0.066219 8C 1px -0.146050 0.028451 -0.007169 0.041140 -0.172277 0.027485 8C 1py 0.153710 -0.109518 0.181520 0.042004 -0.007045 -0.023850 8C 2pz 0.006845 -0.698484 -0.863445 -0.578242 0.053314 -0.187299 8C 2px 0.427771 -0.463064 -0.118038 -0.396472 0.585978 0.039224 8C 2py -0.415145 1.351567 -0.117138 0.518436 -0.112098 0.175296 8C 3pz 0.324310 -0.338931 0.078143 -0.075233 -0.094485 0.000882 8C 3px 0.264101 -0.188493 0.102322 0.027460 -0.092650 0.014138 8C 3py -0.579147 0.672500 0.093830 0.138067 -0.117146 0.108074 8C 1dz2 -0.006195 -0.005427 0.012792 0.000520 -0.002901 0.002854 8C 1dxz 0.026892 0.005328 -0.022216 -0.021380 0.000090 0.016211 8C 1dyz 0.031436 0.053135 0.029758 0.047098 -0.011398 -0.006190 8C 1dx2y2 -0.000324 0.039690 -0.011106 0.004216 -0.015270 0.012620 8C 1dxy -0.010328 0.008425 -0.003753 -0.000584 0.019136 -0.004003 8C 2dz2 0.060361 -0.148104 0.109373 -0.051285 0.036104 0.005918 8C 2dxz -0.005930 0.213035 0.138190 0.152708 -0.035330 -0.021841 8C 2dyz 0.134837 -0.577638 -0.142365 -0.336794 0.117624 -0.101393 8C 2dx2y2 0.068562 -0.438376 -0.112892 -0.223917 0.006674 -0.108141 8C 2dxy 0.078558 -0.391113 -0.137079 -0.264550 0.137966 0.039033 8C 1f0 0.031376 -0.003984 0.066520 0.038651 0.004363 -0.011174 8C 1f+1 0.038472 0.007382 0.021236 0.006842 0.032758 0.011643 8C 1f-1 -0.011987 -0.008305 -0.037668 -0.058141 -0.001222 0.010696 8C 1f+2 0.057264 0.023934 0.051707 0.046883 0.017866 -0.001717 8C 1f-2 0.018198 0.017974 0.028507 0.036045 -0.017869 -0.006555 8C 1f+3 -0.034550 -0.031076 0.031230 0.006633 -0.003247 -0.000468 8C 1f-3 -0.039367 -0.019616 -0.023013 0.000782 -0.017419 -0.003165 9C 1s 0.008446 -0.013512 -0.002150 0.000740 -0.000851 -0.001648 9C 2s 0.032792 -0.051108 -0.010084 0.008558 -0.002639 -0.006357 9C 3s -0.572706 0.654382 0.154497 -0.154268 0.192155 0.118646 9C 4s 2.209845 -1.868638 -0.408032 0.302228 -1.203813 -0.461912 9C 5s 1.142161 -2.383959 -0.047235 -0.073756 -0.242744 -0.078550 9C 1pz 0.128671 -0.127152 0.041713 0.081831 -0.035239 0.007996 9C 1px 0.035879 -0.132449 -0.086909 0.166109 0.041908 0.005906 9C 1py -0.038546 -0.203581 -0.178589 -0.039379 0.070345 -0.085349 9C 2pz -1.299366 0.791127 -0.066936 -0.278269 0.704811 0.170484 9C 2px -0.115653 0.567369 0.366364 -0.626178 0.025146 0.049750 9C 2py -0.404252 0.958885 0.602043 0.068761 0.210737 0.289449 9C 3pz -0.484330 0.752163 0.171864 0.000950 0.116639 0.145380 9C 3px 0.011457 0.270947 0.064828 -0.117694 -0.118372 0.006153 9C 3py -0.323257 0.452922 -0.108798 -0.097534 0.121351 -0.053297 9C 1dz2 -0.040879 0.002615 0.004939 -0.008928 0.029636 0.015890 9C 1dxz -0.004964 -0.001337 -0.012429 -0.008195 -0.013733 0.005390 9C 1dyz -0.040759 0.002284 -0.006699 -0.004498 0.031929 0.001240 9C 1dx2y2 -0.005822 -0.031844 -0.014857 0.005202 0.013568 0.005793 9C 1dxy 0.026554 0.017937 0.019438 0.006724 -0.027621 -0.005005 9C 2dz2 0.471008 -0.211999 0.034050 0.082017 -0.229413 -0.074643 9C 2dxz 0.101103 -0.159887 -0.045488 0.054102 -0.155605 -0.053587 9C 2dyz 0.526538 -0.507336 -0.189085 0.140655 -0.291708 -0.135175 9C 2dx2y2 -0.163506 0.106773 0.011264 0.079286 0.071432 0.033316 9C 2dxy 0.069834 -0.129310 -0.045258 0.110566 -0.068991 -0.026840 9C 1f0 0.038743 0.043532 0.030166 -0.008878 -0.047309 -0.007197 9C 1f+1 -0.020751 -0.001321 -0.006551 -0.040201 0.015570 0.004393 9C 1f-1 -0.027354 -0.054838 -0.033139 0.033117 0.050803 -0.002175 9C 1f+2 0.007470 -0.003702 -0.016770 0.011388 -0.008763 -0.003424 9C 1f-2 -0.007736 -0.005215 0.002385 0.026535 0.042459 -0.001014 9C 1f+3 0.045837 0.036163 0.035206 0.005291 -0.026730 -0.000784 9C 1f-3 0.008497 0.030160 0.026013 -0.050003 -0.024971 -0.008123 10H 1s -0.041305 -0.037048 0.038247 -0.049519 -0.039229 -0.002029 10H 2s 0.106032 0.200381 -0.246246 0.341613 0.149260 -0.011118 10H 3s 0.024256 -0.024603 0.102612 -0.038726 -0.081436 -0.045623 10H 1pz 0.048373 -0.060887 -0.011052 0.123624 -0.005362 -0.042450 10H 1px 0.021132 -0.026408 0.001594 0.039231 0.038802 -0.024932 10H 1py 0.132692 0.019936 -0.104531 -0.005574 0.082569 0.020639 11H 1s -0.041414 0.022648 0.018057 0.093895 0.037782 0.017927 11H 2s 0.219538 -0.155188 -0.045629 -0.513135 -0.104771 0.003272 11H 3s -0.047553 -0.126824 0.207935 0.053248 -0.046608 -0.085181 11H 1pz 0.137513 -0.150809 0.028606 -0.163745 0.052573 0.032081 11H 1px 0.020508 0.075626 -0.084343 0.038059 0.054178 0.004210 11H 1py 0.148870 -0.020969 -0.094865 -0.065217 0.119309 0.029461 12H 1s 0.134093 0.161154 -0.114534 0.029613 0.149345 -0.021931 12H 2s -0.336838 -0.580018 0.521003 -0.141303 -0.369745 -0.058663 12H 3s 0.216302 0.117533 -0.210757 -0.111402 0.196744 0.024949 12H 1pz 0.113541 -0.170996 0.140328 0.001340 0.077515 -0.098876 12H 1px -0.025780 0.012505 0.013406 0.097025 0.055964 -0.017209 12H 1py 0.047761 -0.110102 0.067056 -0.070709 0.009678 -0.031646 13H 1s -0.049623 -0.032155 -0.006700 -0.033160 0.025372 -0.030192 13H 2s 0.223498 0.077645 -0.132828 0.087735 -0.265348 0.064245 13H 3s -0.153711 -0.086785 -0.008270 -0.022926 0.122319 0.057404 13H 1pz -0.017233 0.080154 0.063117 0.016033 -0.066080 -0.008165 13H 1px 0.002922 0.084548 0.005590 -0.021424 -0.052633 0.009648 13H 1py 0.027321 -0.067774 0.181227 0.062170 0.088850 -0.057043 14H 1s 0.122161 0.065374 0.040692 0.009026 -0.024147 0.039999 14H 2s -0.363564 -0.102134 -0.188349 -0.082106 0.261957 -0.014024 14H 3s 0.086825 0.071497 0.214173 0.074916 -0.080026 0.058347 14H 1pz -0.085899 0.086312 0.041286 -0.039081 0.103288 0.011177 14H 1px 0.024072 0.032732 -0.064046 -0.023074 -0.003911 -0.002959 14H 1py 0.010141 -0.182845 0.178277 0.133240 -0.135907 -0.053102 15H 1s 0.133972 0.029164 -0.189745 -0.157409 -0.012276 -0.032015 15H 2s -0.425957 0.019059 0.810666 0.382449 0.101334 0.039485 15H 3s 0.089134 0.074994 -0.303672 -0.209299 0.158513 0.065532 15H 1pz -0.029359 0.154691 0.041983 -0.120744 0.023559 -0.028797 15H 1px 0.047118 0.063417 0.053364 -0.004740 -0.112407 -0.013888 15H 1py 0.084643 -0.161535 -0.095561 0.085031 -0.070193 0.041828 16H 1s -0.038575 -0.048970 -0.023108 0.024440 -0.094471 0.010964 16H 2s 0.075618 0.107849 0.046450 -0.129966 0.202392 -0.061278 16H 3s 0.058544 0.037464 -0.021473 -0.008338 -0.103085 0.003825 16H 1pz -0.002057 0.027628 0.029492 -0.010762 0.119528 0.008763 16H 1px 0.013218 0.013206 0.122930 -0.119027 0.012563 0.014114 16H 1py 0.083260 0.050889 0.029522 -0.048818 0.048169 -0.022907 17H 1s -0.056770 -0.029139 -0.036544 0.033439 -0.080887 0.012401 17H 2s 0.097850 0.070620 0.120122 -0.070813 0.203982 0.018763 17H 3s 0.010648 0.015189 0.005237 -0.069008 0.016683 0.012123 17H 1pz -0.090834 -0.050783 0.064365 0.046423 -0.036473 0.033754 17H 1px 0.004991 0.008917 -0.034574 -0.093590 0.037675 0.061160 17H 1py 0.052000 0.017677 0.063370 -0.081734 0.136817 0.050677 18H 1s -0.054928 -0.030729 0.037639 -0.034535 0.081583 0.014867 18H 2s 0.094326 0.073225 -0.125448 0.074441 -0.209200 0.014220 18H 3s 0.009111 0.015170 -0.007296 0.065485 -0.016296 0.013809 18H 1pz 0.087347 0.053273 0.061911 0.052475 -0.036363 -0.034716 18H 1px -0.003301 -0.009468 -0.033912 -0.093808 0.036877 -0.061827 18H 1py -0.050204 -0.018810 0.065392 -0.079586 0.141789 -0.047915 19H 1s -0.037104 -0.049354 0.026467 -0.023614 0.095612 0.013275 19H 2s 0.069727 0.106754 -0.059113 0.128078 -0.204091 -0.064292 19H 3s 0.052020 0.041217 0.026693 0.011247 0.106207 0.005724 19H 1pz 0.000709 -0.026049 0.030647 -0.006871 0.120773 -0.007158 19H 1px -0.007249 -0.013462 0.124252 -0.115116 0.015976 -0.016314 19H 1py -0.078045 -0.052598 0.033232 -0.051853 0.049190 0.023907 20H 1s 0.131214 0.030694 0.187654 0.159578 0.012691 -0.031477 20H 2s -0.419493 0.018748 -0.802747 -0.387208 -0.103467 0.038077 20H 3s 0.080838 0.085170 0.299374 0.215550 -0.160490 0.058685 20H 1pz 0.032833 -0.159589 0.039828 -0.119750 0.022531 0.027735 20H 1px -0.045130 -0.064123 0.047880 -0.002878 -0.112710 0.010474 20H 1py -0.088492 0.167597 -0.093896 0.084548 -0.069718 -0.042216 21H 1s 0.117783 0.067591 -0.033086 -0.009747 0.023349 0.040146 21H 2s -0.354181 -0.104637 0.163831 0.085636 -0.263235 -0.021269 21H 3s 0.079288 0.079261 -0.207341 -0.075212 0.075400 0.059735 21H 1pz 0.086535 -0.088883 0.042180 -0.038899 0.103597 -0.009332 21H 1px -0.022691 -0.033539 -0.064565 -0.023498 -0.004975 0.003548 21H 1py -0.017342 0.190301 0.176380 0.134594 -0.136348 0.047681 22H 1s -0.048018 -0.030683 0.002255 0.031686 -0.023816 -0.029787 22H 2s 0.219966 0.071955 0.146132 -0.086061 0.262764 0.066762 22H 3s -0.149905 -0.087672 0.001089 0.021901 -0.121767 0.055187 22H 1pz 0.019262 -0.081879 0.058910 0.018192 -0.066456 0.006163 22H 1px 0.000414 -0.087604 0.001769 -0.020479 -0.052405 -0.010955 22H 1py -0.029786 0.070584 0.179928 0.061335 0.086914 0.058006 23H 1s 0.136422 0.159046 0.110861 -0.029565 -0.148301 -0.026602 23H 2s -0.342322 -0.573133 -0.518436 0.148890 0.371091 -0.046023 23H 3s 0.225743 0.108385 0.204952 0.119249 -0.199708 0.023448 23H 1pz -0.126863 0.175031 0.146102 -0.003380 0.075295 0.100200 23H 1px 0.022701 -0.010324 0.015790 0.099018 0.053537 0.018969 23H 1py -0.050651 0.110449 0.069054 -0.071790 0.009951 0.032327 24H 1s -0.030364 0.018136 -0.021414 -0.095205 -0.037346 0.016586 24H 2s 0.187941 -0.144445 0.053500 0.517865 0.096638 0.010650 24H 3s -0.020825 -0.136044 -0.216386 -0.048973 0.050531 -0.080755 24H 1pz -0.146055 0.154367 0.031202 -0.165705 0.056469 -0.031563 24H 1px -0.019486 -0.072251 -0.081825 0.038944 0.052685 -0.001698 24H 1py -0.160404 0.026305 -0.091991 -0.065805 0.122864 -0.026583 25H 1s -0.038299 -0.035658 -0.035204 0.048751 0.036580 -0.001154 25H 2s 0.100439 0.193472 0.237512 -0.343006 -0.143097 -0.016052 25H 3s 0.019324 -0.018388 -0.092300 0.040833 0.080294 -0.040484 25H 1pz -0.060610 0.066957 -0.009256 0.122547 -0.006925 0.042481 25H 1px -0.027827 0.030901 0.004741 0.038884 0.037184 0.026114 25H 1py -0.139159 -0.016201 -0.103533 -0.004363 0.083140 -0.018692 26O 1s -0.000456 0.003729 -0.000653 -0.001135 0.003064 0.000075 26O 2s -0.000043 0.009940 -0.002074 -0.005245 0.002852 0.000713 26O 3s -0.036578 -0.010354 0.009498 0.067892 0.130644 -0.012405 26O 4s 0.284908 -0.136385 -0.028333 -0.258379 -0.778283 0.069549 26O 5s -0.615664 0.356755 0.044050 -0.593804 -2.866028 0.146916 26O 1pz -0.000277 0.030228 -0.065056 0.040134 -0.036580 0.025637 26O 1px -0.002571 -0.002989 -0.026958 -0.026798 0.056757 0.021423 26O 1py -0.019602 0.012172 0.035108 0.064085 0.016227 -0.021609 26O 2pz -0.003746 0.017547 -0.010661 0.077425 0.089190 -0.021474 26O 2px -0.175334 0.073730 0.062890 0.134961 0.634683 -0.049556 26O 2py -0.061460 0.042020 -0.042724 0.060686 0.309995 0.007413 26O 3pz 0.049905 0.102859 -0.063803 0.222565 0.324209 0.124388 26O 3px 0.213002 0.082925 -0.153909 0.605905 1.569581 -0.023288 26O 3py 0.352519 0.358285 -0.252074 0.478571 0.677368 -0.325624 26O 1dz2 -0.000898 0.002417 -0.003143 0.000115 -0.003216 0.003202 26O 1dxz 0.004473 -0.000070 -0.005470 0.004523 -0.000491 -0.002771 26O 1dyz 0.001640 0.001889 -0.000399 0.001942 -0.001432 -0.001403 26O 1dx2y2 -0.002650 -0.000969 0.001503 -0.003520 0.005130 -0.002532 26O 1dxy 0.001236 -0.002175 0.000184 -0.000680 0.002744 0.003418 26O 2dz2 -0.096627 0.000826 -0.017000 -0.029339 0.269697 0.060353 26O 2dxz -0.035517 0.135366 -0.060334 0.057211 -0.111597 -0.166845 26O 2dyz -0.059501 -0.004295 0.078404 -0.101481 -0.096398 -0.108344 26O 2dx2y2 0.098503 -0.022448 0.070678 0.017795 -0.116462 -0.246706 26O 2dxy -0.046216 -0.124239 0.021949 -0.219214 -0.308786 0.316033 26O 1f0 0.003957 -0.003244 0.001252 -0.002397 -0.000414 0.000827 26O 1f+1 0.001972 -0.004090 0.003373 -0.003885 -0.014208 0.001102 26O 1f-1 0.000115 -0.002870 -0.000659 0.001421 -0.006169 -0.001520 26O 1f+2 0.000373 0.003048 0.002194 0.003433 -0.000339 0.000405 26O 1f-2 -0.005043 0.002956 0.001084 0.001272 0.005933 -0.000138 26O 1f+3 0.000508 -0.001375 -0.003072 -0.001606 -0.008467 0.002857 26O 1f-3 0.002730 -0.007807 -0.000730 -0.006303 -0.024597 -0.000592 27O 1s 0.001406 -0.000833 0.000424 -0.001835 0.002693 -0.003677 27O 2s -0.001302 -0.005161 0.004659 -0.002284 0.006656 -0.007695 27O 3s 0.133116 0.073869 -0.101322 -0.064760 -0.006546 -0.044751 27O 4s -0.677538 -0.257658 0.484088 0.425887 -0.097967 0.481883 27O 5s -1.631424 -2.031646 1.174940 1.413225 -0.562908 0.878669 27O 1pz 0.003353 -0.027710 -0.042974 0.071087 0.006276 0.035641 27O 1px 0.010374 0.006454 -0.010976 -0.014198 0.004150 -0.020701 27O 1py -0.010723 0.012060 -0.025792 -0.000547 0.081936 0.009421 27O 2pz -0.011690 0.017166 0.026252 -0.000344 -0.067417 0.011238 27O 2px 0.603734 0.300774 -0.349431 -0.370615 0.151152 -0.382108 27O 2py -0.161600 -0.096324 0.151030 0.089880 -0.002238 0.076172 27O 3pz 0.034384 -0.085447 -0.030180 -0.167577 -0.117271 0.251020 27O 3px 1.303442 1.069982 -0.849775 -0.807995 -0.028082 -0.544691 27O 3py -0.231661 -0.025973 0.235667 0.124184 0.075457 0.189893 27O 1dz2 -0.000363 -0.002718 -0.002088 0.002309 -0.000264 0.001839 27O 1dxz -0.002426 0.002087 -0.002032 0.002450 -0.004552 -0.002687 27O 1dyz 0.000986 0.003688 -0.000756 -0.002507 -0.001592 -0.000211 27O 1dx2y2 0.004347 0.005516 -0.003286 -0.003429 0.005910 -0.005692 27O 1dxy -0.002050 -0.004922 0.001540 -0.000911 0.005942 -0.003336 27O 2dz2 0.184504 0.063188 -0.162109 -0.123285 -0.017345 0.009419 27O 2dxz -0.061956 -0.041849 0.039970 -0.053926 -0.108268 -0.362912 27O 2dyz 0.154865 0.080505 -0.083678 0.041103 -0.051008 0.090372 27O 2dx2y2 -0.261596 -0.088629 0.093673 0.096011 0.026462 0.089348 27O 2dxy -0.004770 0.109155 -0.039074 -0.130149 0.040108 -0.219209 27O 1f0 0.001804 0.001302 -0.001421 -0.003345 0.002922 0.000368 27O 1f+1 -0.021732 -0.009494 0.012828 0.009521 -0.005982 0.011973 27O 1f-1 0.005969 0.001707 -0.002507 0.000955 0.005263 -0.003928 27O 1f+2 -0.003501 -0.005293 0.004861 0.003456 0.000498 0.002274 27O 1f-2 -0.003192 -0.001767 -0.000303 0.003155 -0.000045 0.002598 27O 1f+3 -0.017196 -0.008627 0.007392 0.011274 -0.001711 0.008735 27O 1f-3 0.015039 0.001271 -0.006853 -0.007363 0.002581 -0.003848 28O 1s 0.003568 0.003912 -0.003075 0.002304 -0.001164 0.000101 28O 2s 0.009160 0.006758 -0.005036 0.000712 -0.002689 -0.000558 28O 3s -0.007616 0.091100 -0.070378 0.134608 -0.002598 0.024559 28O 4s -0.246160 -0.694938 0.502490 -0.789610 0.027539 -0.119738 28O 5s -0.816711 -0.844509 1.619169 -2.085280 0.527073 -0.376169 28O 1pz -0.021104 -0.003393 -0.016943 0.001910 0.002616 0.020127 28O 1px -0.018565 -0.024931 0.020271 -0.008860 0.008899 -0.004641 28O 1py -0.001952 0.016049 0.031091 0.018841 0.042209 -0.022358 28O 2pz 0.172256 0.295111 -0.270245 0.368659 -0.009217 0.082236 28O 2px -0.131211 -0.412856 0.348392 -0.490206 0.102652 -0.091171 28O 2py 0.046079 0.012367 -0.012418 0.040436 0.006780 -0.000305 28O 3pz 0.033293 1.059182 -0.554918 1.127640 0.055046 0.178535 28O 3px -0.472789 -0.526717 0.671627 -0.923540 0.129137 -0.148091 28O 3py -0.415240 0.185615 -0.271100 0.307965 -0.168538 0.009587 28O 1dz2 -0.000619 -0.003258 0.002232 -0.001400 -0.000738 -0.005452 28O 1dxz -0.004703 -0.001937 0.003100 -0.002987 0.000791 -0.001149 28O 1dyz -0.002100 -0.001535 0.000212 -0.001729 -0.000208 0.002784 28O 1dx2y2 0.000777 0.003656 -0.003338 0.003391 -0.003087 -0.000068 28O 1dxy -0.006167 0.000310 0.000117 0.002045 -0.004041 -0.002061 28O 2dz2 -0.077289 -0.087432 0.225362 -0.105150 -0.055951 -0.156523 28O 2dxz 0.063080 0.172263 -0.114375 0.168837 -0.068549 0.128104 28O 2dyz 0.103808 0.000215 0.011223 -0.235904 0.006974 0.130213 28O 2dx2y2 -0.083886 -0.151627 0.113858 -0.033544 -0.046321 0.025581 28O 2dxy -0.161427 -0.068920 0.029216 0.146280 -0.183831 -0.211719 28O 1f0 -0.001458 -0.008600 0.005355 -0.009097 0.001891 0.004931 28O 1f+1 0.004563 -0.014222 0.011117 -0.015427 0.000549 -0.000209 28O 1f-1 0.004871 0.002276 -0.000894 0.002380 0.000383 0.000836 28O 1f+2 0.001175 0.019994 -0.014209 0.017813 -0.000885 0.007735 28O 1f-2 0.003163 -0.006704 0.003809 -0.007700 0.001869 -0.001884 28O 1f+3 0.002190 0.006972 -0.006562 0.008044 -0.001935 0.003786 28O 1f-3 0.003054 -0.001706 0.000740 -0.002632 0.000399 -0.004155 29O 1s 0.000075 0.000151 -0.001117 0.000662 -0.002201 0.000211 29O 2s -0.002421 -0.001567 -0.004547 0.003148 -0.010429 0.001134 29O 3s 0.069344 0.051259 0.047913 -0.039996 0.138440 -0.017145 29O 4s -0.350609 -0.265436 -0.164739 0.163517 -0.536075 0.068646 29O 5s 0.553833 0.410867 0.192427 -0.201648 0.701072 -0.088389 29O 1pz 0.016864 -0.001978 0.016396 -0.022202 0.004509 0.000045 29O 1px -0.025806 -0.026997 -0.020081 0.051678 -0.058168 -0.003765 29O 1py -0.039363 -0.027958 -0.039689 0.027879 -0.087019 -0.005457 29O 2pz -0.024771 0.020185 -0.006173 0.012579 0.065543 0.009999 29O 2px -0.013074 0.011161 -0.007028 -0.025706 -0.013939 0.016453 29O 2py 0.082298 0.056022 0.057291 -0.028560 0.166440 -0.018125 29O 3pz 0.106316 0.092817 0.022665 -0.187718 0.001941 -0.066294 29O 3px -0.271140 -0.233205 -0.120336 0.240862 -0.293312 -0.022003 29O 3py -0.060053 0.035544 -0.064262 -0.061841 -0.159946 0.011453 29O 1dz2 0.000229 -0.000477 0.001464 0.001041 0.001567 0.000162 29O 1dxz 0.000568 -0.000395 -0.000564 0.001505 0.000985 0.000619 29O 1dyz -0.000831 -0.001126 -0.000143 -0.000648 0.001491 0.001131 29O 1dx2y2 0.000270 -0.000448 -0.000134 -0.001403 -0.002010 0.001877 29O 1dxy 0.000468 0.000931 0.000197 -0.000251 -0.000715 0.000001 29O 2dz2 -0.027354 -0.009197 -0.050002 0.008955 0.001198 0.015251 29O 2dxz 0.014911 -0.015592 0.028011 0.013134 -0.068984 -0.031282 29O 2dyz 0.008319 0.001561 0.017446 0.048765 -0.061529 -0.014321 29O 2dx2y2 0.004755 0.020569 -0.022095 0.066974 -0.073835 -0.041665 29O 2dxy 0.035314 0.018691 0.051769 -0.039590 0.047303 -0.003264 29O 1f0 0.005237 0.004968 0.003146 -0.002423 0.011820 -0.001678 29O 1f+1 -0.002487 -0.001499 0.000302 0.000354 -0.003189 0.001049 29O 1f-1 0.006438 0.006825 0.004740 -0.004766 0.014629 -0.000895 29O 1f+2 -0.001505 -0.001481 -0.001477 0.000964 -0.004620 0.001102 29O 1f-2 0.006829 0.002265 0.001710 -0.003462 0.006380 -0.002245 29O 1f+3 -0.002940 -0.000851 -0.001240 0.001173 -0.002175 -0.000438 29O 1f-3 -0.003561 -0.001771 -0.001667 0.001542 -0.002618 0.001194 30O 1s 0.002885 0.001825 -0.001620 0.000240 -0.004041 0.001554 30O 2s 0.007286 0.007983 -0.000944 0.001003 -0.007187 0.002775 30O 3s 0.009937 -0.093034 -0.086576 -0.014219 -0.070604 0.030148 30O 4s -0.213243 0.339091 0.521100 0.072560 0.547220 -0.317292 30O 5s -0.096369 -0.052280 1.367726 0.190034 1.642448 -0.222644 30O 1pz 0.002873 -0.022280 -0.004745 0.053838 0.015225 0.012090 30O 1px -0.014844 -0.014294 0.011756 0.014955 0.015394 -0.004790 30O 1py 0.007466 0.015111 -0.013251 0.038702 -0.011510 0.036737 30O 2pz 0.072028 -0.086761 -0.218282 -0.083830 -0.193633 0.098439 30O 2px -0.117073 0.201095 0.258874 -0.001568 0.367324 -0.150603 30O 2py -0.052120 0.092713 0.217887 0.060041 0.208654 -0.106884 30O 3pz 0.059084 -0.462429 -0.638381 -0.251888 -0.753582 0.120772 30O 3px -0.085805 -0.089303 0.571923 0.165969 0.543976 -0.116766 30O 3py -0.314499 0.416036 0.771490 -0.143619 0.561432 0.010592 30O 1dz2 -0.002822 0.001734 0.000738 0.001195 0.002511 -0.003661 30O 1dxz -0.000434 -0.000548 0.000435 0.000425 0.002326 -0.000387 30O 1dyz 0.002907 0.000478 -0.000705 -0.002091 0.000055 0.002240 30O 1dx2y2 0.001394 -0.004299 -0.001565 0.003440 -0.007640 0.001013 30O 1dxy -0.003524 0.000199 -0.002950 -0.003048 -0.001101 0.004577 30O 2dz2 0.067910 0.079470 0.146824 -0.016709 0.000799 -0.213828 30O 2dxz -0.021458 -0.143535 -0.130967 -0.042481 -0.091975 0.235647 30O 2dyz 0.023109 -0.085644 -0.228099 -0.063657 -0.144753 -0.003067 30O 2dx2y2 -0.106317 -0.057089 0.033417 0.115888 -0.199874 -0.023019 30O 2dxy -0.026307 0.020032 0.039606 -0.021205 0.067062 0.092211 30O 1f0 -0.000607 0.007519 0.009806 0.003311 0.009916 -0.002943 30O 1f+1 0.002879 0.003085 0.002219 -0.000520 0.000768 0.003384 30O 1f-1 -0.004081 0.000970 0.003710 0.004383 0.001973 -0.004078 30O 1f+2 0.003824 0.000299 -0.004630 -0.001695 -0.003970 -0.002286 30O 1f-2 0.010385 -0.011507 -0.011745 -0.000076 -0.016262 0.000818 30O 1f+3 -0.005398 0.006763 0.001645 -0.002162 0.006376 0.001207 30O 1f-3 0.007899 -0.004861 -0.008110 -0.002168 -0.007480 0.005427 31O 1s 0.002911 0.001787 0.001703 -0.000252 0.003938 0.001714 31O 2s 0.007337 0.007945 0.001121 -0.001016 0.007046 0.003088 31O 3s 0.010346 -0.094684 0.087508 0.013890 0.067553 0.032118 31O 4s -0.215212 0.348317 -0.533033 -0.071297 -0.522009 -0.334206 31O 5s -0.118393 -0.021826 -1.389160 -0.177661 -1.609811 -0.280441 31O 1pz -0.003948 0.022822 -0.005597 0.053886 0.015623 -0.011308 31O 1px 0.013635 0.014836 0.013564 0.015498 0.014678 0.005648 31O 1py -0.006510 -0.017157 -0.014125 0.039018 -0.010349 -0.036087 31O 2pz -0.072000 0.088786 -0.223268 -0.083237 -0.184945 -0.105283 31O 2px 0.119029 -0.206314 0.266409 -0.002789 0.353981 0.162459 31O 2py 0.050760 -0.093032 0.222904 0.058860 0.198456 0.113506 31O 3pz -0.084685 0.488001 -0.625121 -0.244690 -0.742771 -0.144710 31O 3px 0.084083 0.087086 0.584332 0.159470 0.527264 0.135816 31O 3py 0.337323 -0.448818 0.773103 -0.155616 0.559834 0.003502 31O 1dz2 -0.002939 0.001857 -0.000754 -0.001255 -0.002446 -0.003766 31O 1dxz -0.000414 -0.000571 -0.000631 -0.000395 -0.002226 -0.000478 31O 1dyz 0.002919 0.000482 0.000767 0.002167 -0.000136 0.002207 31O 1dx2y2 0.001263 -0.004205 0.001723 -0.003389 0.007443 0.001202 31O 1dxy -0.003562 0.000267 0.003023 0.002966 0.000836 0.004607 31O 2dz2 0.059027 0.082170 -0.139836 0.014722 0.004885 -0.212420 31O 2dxz -0.018100 -0.144949 0.130596 0.042413 0.082206 0.238198 31O 2dyz 0.029229 -0.092068 0.225453 0.062135 0.143805 0.001909 31O 2dx2y2 -0.102411 -0.062722 -0.035785 -0.118828 0.201392 -0.017467 31O 2dxy -0.024113 0.022619 -0.045760 0.020733 -0.066620 0.088935 31O 1f0 0.000621 -0.007534 0.009873 0.003202 0.009488 0.003278 31O 1f+1 -0.002753 -0.003208 0.002146 -0.000540 0.000864 -0.003339 31O 1f-1 0.004036 -0.001070 0.003798 0.004435 0.001868 0.004188 31O 1f+2 -0.003812 -0.000272 -0.004630 -0.001714 -0.004064 0.002152 31O 1f-2 -0.010472 0.011721 -0.012005 0.000019 -0.015954 -0.001370 31O 1f+3 0.005601 -0.007035 0.001547 -0.002134 0.006387 -0.001021 31O 1f-3 -0.008029 0.005151 -0.008258 -0.002060 -0.007241 -0.005684 32O 1s 0.000145 0.000082 0.001227 -0.000724 0.002224 0.000267 32O 2s -0.002162 -0.001827 0.004916 -0.003322 0.010519 0.001422 32O 3s 0.067190 0.053541 -0.050584 0.040463 -0.139468 -0.021289 32O 4s -0.343452 -0.272449 0.170208 -0.161529 0.538479 0.085246 32O 5s 0.543573 0.421088 -0.190422 0.194534 -0.697329 -0.111733 32O 1pz -0.016767 0.000978 0.016670 -0.023821 0.005245 -0.000318 32O 1px 0.024732 0.026914 -0.020732 0.050852 -0.058303 0.002600 32O 1py 0.038209 0.028962 -0.041204 0.027620 -0.088318 0.003113 32O 2pz 0.024802 -0.017316 -0.004772 0.016284 0.062914 -0.010097 32O 2px 0.013308 -0.009347 -0.007548 -0.024000 -0.016008 -0.018099 32O 2py -0.080223 -0.058309 0.059952 -0.028531 0.169383 0.022999 32O 3pz -0.097824 -0.094804 0.022084 -0.188499 -0.002938 0.066630 32O 3px 0.259583 0.237769 -0.124212 0.238057 -0.293664 0.016491 32O 3py 0.055897 -0.031035 -0.066912 -0.063216 -0.162775 -0.016611 32O 1dz2 0.000345 -0.000454 -0.001437 -0.001110 -0.001493 0.000038 32O 1dxz 0.000658 -0.000331 0.000697 -0.001464 -0.000976 0.000498 32O 1dyz -0.000746 -0.001118 0.000146 0.000571 -0.001603 0.001163 32O 1dx2y2 0.000254 -0.000427 0.000165 0.001408 0.001997 0.001899 32O 1dxy 0.000560 0.000878 -0.000151 0.000218 0.000772 0.000064 32O 2dz2 -0.024312 -0.008896 0.052879 -0.005789 -0.000801 0.015611 32O 2dxz 0.009537 -0.015441 -0.027191 -0.015433 0.068307 -0.029925 32O 2dyz 0.006822 0.001300 -0.013046 -0.050280 0.062920 -0.014095 32O 2dx2y2 0.006249 0.018403 0.026046 -0.067220 0.075373 -0.040659 32O 2dxy 0.029439 0.020095 -0.056382 0.039861 -0.044661 -0.004361 32O 1f0 -0.004777 -0.004666 0.003093 -0.002134 0.011083 0.001907 32O 1f+1 0.002783 0.001774 0.000132 0.000573 -0.003753 -0.001328 32O 1f-1 -0.006544 -0.007080 0.005233 -0.004743 0.015263 0.001293 32O 1f+2 0.001856 0.001794 -0.001841 0.001176 -0.005311 -0.001323 32O 1f-2 -0.006561 -0.002387 0.001648 -0.003585 0.006277 0.002476 32O 1f+3 0.002604 0.000837 -0.001158 0.001113 -0.002009 0.000404 32O 1f-3 0.003487 0.001775 -0.001663 0.001605 -0.002495 -0.001269 33O 1s 0.003571 0.003854 0.003062 -0.002344 0.001258 0.000055 33O 2s 0.009028 0.006627 0.004869 -0.000772 0.002912 -0.000611 33O 3s -0.003794 0.090871 0.073686 -0.135823 0.002897 0.022871 33O 4s -0.264944 -0.689702 -0.517176 0.796269 -0.036571 -0.108831 33O 5s -0.882975 -0.840058 -1.640220 2.112036 -0.529007 -0.344361 33O 1pz 0.024859 0.001425 -0.017853 0.002813 0.003402 -0.019205 33O 1px 0.021020 0.024077 0.019664 -0.008782 0.009406 0.004020 33O 1py 0.005270 -0.017961 0.030883 0.018315 0.042053 0.023948 33O 2pz -0.189667 -0.290360 -0.275519 0.371458 -0.010825 -0.075449 33O 2px 0.146493 0.408476 0.356424 -0.496664 0.106878 0.085859 33O 2py -0.051710 -0.011776 -0.013353 0.041636 0.006082 0.001454 33O 3pz -0.020784 -1.076871 -0.585109 1.148131 0.043946 -0.158861 33O 3px 0.510162 0.520793 0.687470 -0.936571 0.130099 0.132083 33O 3py 0.425888 -0.196103 -0.287820 0.319291 -0.166039 -0.010702 33O 1dz2 -0.000782 -0.003159 -0.002129 0.001356 0.000897 -0.005455 33O 1dxz -0.004986 -0.001839 -0.003267 0.003009 -0.000800 -0.001062 33O 1dyz -0.002419 -0.001385 -0.000162 0.001736 0.000091 0.002779 33O 1dx2y2 0.001075 0.003454 0.003327 -0.003513 0.003225 -0.000014 33O 1dxy -0.006146 0.000224 -0.000173 -0.002022 0.004031 -0.001942 33O 2dz2 -0.069191 -0.089590 -0.227764 0.105099 0.059835 -0.153403 33O 2dxz 0.069360 0.173369 0.119862 -0.172581 0.068975 0.126794 33O 2dyz 0.100763 -0.002883 -0.014357 0.238109 -0.007387 0.133932 33O 2dx2y2 -0.091806 -0.149138 -0.113592 0.032234 0.045725 0.030233 33O 2dxy -0.158203 -0.069609 -0.025191 -0.143545 0.187679 -0.207303 33O 1f0 0.001661 0.008510 0.005429 -0.009258 0.002307 -0.005056 33O 1f+1 -0.004427 0.014123 0.011270 -0.015633 0.000690 -0.000083 33O 1f-1 -0.005250 -0.002194 -0.001139 0.002359 0.000327 -0.000778 33O 1f+2 -0.001789 -0.019922 -0.014581 0.018226 -0.000760 -0.007395 33O 1f-2 -0.002932 0.006658 0.003822 -0.007913 0.001867 0.001807 33O 1f+3 -0.002822 -0.006822 -0.006771 0.008204 -0.001950 -0.003678 33O 1f-3 -0.003310 0.001992 0.000954 -0.002776 0.000258 0.004123 34O 1s 0.001443 -0.000883 -0.000494 0.001715 -0.002483 -0.003730 34O 2s -0.001214 -0.005254 -0.004801 0.001914 -0.006259 -0.007798 34O 3s 0.132775 0.073462 0.100167 0.066742 0.010120 -0.045205 34O 4s -0.678939 -0.253561 -0.469311 -0.427560 0.064502 0.486207 34O 5s -1.594324 -2.046173 -1.178300 -1.430013 0.511712 0.896024 34O 1pz -0.005535 0.029621 -0.042855 0.070973 0.007471 -0.034871 34O 1px -0.009839 -0.006950 -0.011796 -0.013726 0.003373 0.020693 34O 1py 0.013548 -0.015632 -0.025051 -0.000482 0.081426 -0.006260 34O 2pz 0.012501 -0.017491 0.025308 0.000230 -0.065975 -0.013521 34O 2px -0.600635 -0.300292 -0.340342 -0.374687 0.126000 0.387389 34O 2py 0.159475 0.097112 0.149909 0.091472 0.003405 -0.076841 34O 3pz -0.024993 0.084915 -0.040048 -0.166558 -0.112062 -0.256251 34O 3px -1.285074 -1.072075 -0.850906 -0.816539 -0.063480 0.543008 34O 3py 0.222368 0.035952 0.231584 0.128640 0.081612 -0.187380 34O 1dz2 -0.000457 -0.002695 0.002080 -0.002264 0.000221 0.001836 34O 1dxz -0.002392 0.002039 0.002106 -0.002480 0.004583 -0.002524 34O 1dyz 0.000906 0.003781 0.000638 0.002478 0.001634 -0.000139 34O 1dx2y2 0.004080 0.005746 0.003133 0.003536 -0.005516 -0.005876 34O 1dxy -0.002062 -0.004822 -0.001697 0.000974 -0.005859 -0.003505 34O 2dz2 0.184082 0.061308 0.163714 0.124857 0.020854 0.010836 34O 2dxz -0.058833 -0.040017 -0.043227 0.054277 0.117170 -0.356608 34O 2dyz 0.157749 0.074161 0.085733 -0.040314 0.045894 0.091308 34O 2dx2y2 -0.255441 -0.091619 -0.095136 -0.094474 -0.033166 0.089255 34O 2dxy -0.003506 0.108498 0.036597 0.133869 -0.034483 -0.219438 34O 1f0 -0.001800 -0.001413 -0.001472 -0.003373 0.002936 -0.000268 34O 1f+1 0.021370 0.009552 0.012758 0.009716 -0.005234 -0.012198 34O 1f-1 -0.005895 -0.001722 -0.002539 0.000862 0.005026 0.004125 34O 1f+2 0.003403 0.005438 0.004839 0.003423 0.000748 -0.002273 34O 1f-2 0.003163 0.001812 -0.000422 0.003157 0.000139 -0.002600 34O 1f+3 0.017025 0.008757 0.007289 0.011364 -0.001223 -0.008776 34O 1f-3 -0.015278 -0.001028 -0.006730 -0.007545 0.002286 0.003945 35O 1s -0.000694 0.003850 0.000754 0.000972 -0.003060 -0.000097 35O 2s -0.000671 0.010188 0.002533 0.004804 -0.002785 0.000421 35O 3s -0.034531 -0.009407 -0.014929 -0.067110 -0.132374 -0.016278 35O 4s 0.285947 -0.147408 0.045596 0.264513 0.788154 0.096919 35O 5s -0.630676 0.344615 0.046001 0.589681 2.884953 0.250850 35O 1pz 0.004718 -0.031891 -0.066050 0.041035 -0.036773 -0.026097 35O 1px 0.000433 0.004286 -0.025712 -0.025823 0.057568 -0.018834 35O 1py 0.022505 -0.013773 0.035634 0.064634 0.015338 0.023218 35O 2pz -0.000953 -0.016102 -0.006500 0.077612 0.088720 0.025249 35O 2px 0.174870 -0.081119 0.081203 0.137680 0.641734 0.071114 35O 2py 0.057958 -0.043273 -0.034491 0.062325 0.314871 0.003100 35O 3pz -0.058742 -0.101151 -0.069516 0.226161 0.328674 -0.110760 35O 3px -0.219698 -0.092860 -0.109745 0.612835 1.581368 0.085571 35O 3py -0.355931 -0.354956 -0.230317 0.473188 0.663832 0.356663 35O 1dz2 -0.001029 0.002413 0.003390 -0.000161 0.003136 0.003294 35O 1dxz 0.004468 -0.000233 0.005402 -0.004516 0.000647 -0.002860 35O 1dyz 0.001275 0.002035 0.000403 -0.001984 0.001631 -0.001402 35O 1dx2y2 -0.002543 -0.001021 -0.001638 0.003612 -0.005171 -0.002627 35O 1dxy 0.001229 -0.002134 -0.000232 0.000621 -0.002919 0.003333 35O 2dz2 -0.090620 -0.002606 0.014067 0.026344 -0.272941 0.051679 35O 2dxz -0.034157 0.130300 0.058722 -0.057302 0.118652 -0.165870 35O 2dyz -0.053241 -0.009458 -0.075661 0.100900 0.098880 -0.104674 35O 2dx2y2 0.089372 -0.022165 -0.067730 -0.008834 0.127710 -0.240257 35O 2dxy -0.043917 -0.122929 -0.008540 0.213647 0.297594 0.329912 35O 1f0 -0.004104 0.003376 0.001242 -0.002347 -0.000476 -0.000877 35O 1f+1 -0.001705 0.004083 0.003017 -0.003970 -0.014435 -0.001626 35O 1f-1 -0.000196 0.003018 -0.000807 0.001401 -0.006327 0.001331 35O 1f+2 0.000078 -0.003330 0.002203 0.003455 -0.000470 -0.000371 35O 1f-2 0.005125 -0.003127 0.001293 0.001349 0.006064 0.000310 35O 1f+3 -0.000113 0.001290 -0.003345 -0.001646 -0.008435 -0.003174 35O 1f-3 -0.002668 0.008016 -0.001584 -0.006456 -0.024788 -0.000247 372 373 374 375 376 377 1.96419 1.97250 1.98312 1.98378 1.98909 2.00563 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s 0.000183 -0.000318 0.000141 -0.000057 -0.000086 -0.000056 0Rh 2s -0.000600 0.001288 -0.000360 0.000208 0.000323 0.000332 0Rh 3s 0.000707 -0.001084 0.000610 -0.000205 -0.000311 -0.000130 0Rh 4s 0.002856 -0.006283 0.001765 -0.001000 -0.001613 -0.001691 0Rh 5s -0.000924 0.005836 -0.000594 0.000552 0.001850 0.003126 0Rh 6s -0.016916 0.020101 -0.008411 0.005317 0.002077 -0.003184 0Rh 7s 0.161136 -0.155826 0.020143 0.019442 -0.024598 0.019676 0Rh 8s -0.077313 -0.051958 -0.001784 0.034552 0.064435 0.050172 0Rh 1pz 0.017749 0.001518 -0.011583 0.015426 0.002727 0.001316 0Rh 1px -0.004286 -0.000128 -0.004014 0.005771 -0.000837 -0.001576 0Rh 1py -0.011123 0.016417 0.003500 -0.000684 0.008200 0.005830 0Rh 2pz -0.061102 -0.005430 0.040110 -0.054414 -0.008968 -0.004664 0Rh 2px 0.015597 0.000093 0.013741 -0.020233 0.003098 0.005424 0Rh 2py 0.038324 -0.057780 -0.011649 0.002699 -0.028388 -0.020167 0Rh 3pz 0.018393 0.006734 -0.016569 0.046003 -0.005656 0.003507 0Rh 3px -0.022136 0.007032 -0.002389 0.014352 -0.005123 -0.001573 0Rh 3py -0.012421 0.046508 -0.004601 -0.008606 0.010874 0.007341 0Rh 4pz 0.312592 0.001693 -0.188707 0.143592 0.075842 0.019667 0Rh 4px -0.012613 -0.026846 -0.077517 0.066161 -0.001113 -0.027720 0Rh 4py -0.191522 0.161177 0.089465 0.021095 0.141409 0.101536 0Rh 5pz -0.514790 0.022663 0.309206 -0.150224 -0.115235 -0.044529 0Rh 5px 0.032569 0.041101 0.127856 -0.088809 0.005087 0.043529 0Rh 5py 0.310311 -0.172716 -0.138883 -0.055656 -0.248458 -0.173779 0Rh 6pz 1.125805 -0.293498 -0.492194 -0.697535 0.256241 0.225967 0Rh 6px -0.386794 -0.088089 -0.226340 -0.173655 0.078085 -0.014695 0Rh 6py -0.612571 -0.688583 0.252141 0.456782 0.559458 0.297718 0Rh 1dz2 -0.007242 -0.004400 0.000003 -0.011223 -0.004977 0.009128 0Rh 1dxz -0.004370 0.007695 0.005270 0.018091 -0.001662 0.005277 0Rh 1dyz 0.003944 -0.006097 0.001344 0.004164 0.005819 0.000160 0Rh 1dx2y2 -0.016132 -0.009643 0.004672 0.008888 -0.001295 0.007189 0Rh 1dxy 0.002364 0.019627 0.001277 -0.002915 -0.004689 -0.002242 0Rh 2dz2 0.000767 0.000960 -0.002688 0.002842 -0.000489 -0.005942 0Rh 2dxz -0.000938 -0.001518 0.000200 -0.003384 0.000281 -0.000349 0Rh 2dyz -0.004264 0.001235 -0.004097 -0.001903 -0.004891 -0.009474 0Rh 2dx2y2 0.002646 0.001220 -0.000726 -0.001484 -0.000297 -0.002552 0Rh 2dxy -0.000021 -0.004474 -0.002066 0.000761 -0.001757 -0.004138 0Rh 3dz2 0.015221 0.007080 0.011934 0.016283 0.014961 0.002912 0Rh 3dxz 0.015518 -0.012975 -0.014401 -0.031437 0.003039 -0.011993 0Rh 3dyz 0.008783 0.010123 0.014878 -0.002312 0.006891 0.041981 0Rh 3dx2y2 0.029179 0.019093 -0.008710 -0.016196 0.004702 -0.007109 0Rh 3dxy -0.006042 -0.030570 0.006030 0.004198 0.019899 0.024261 0Rh 4dz2 0.012004 0.013904 -0.041143 0.041500 -0.006897 -0.089554 0Rh 4dxz -0.017715 -0.022529 0.003301 -0.051012 0.003994 -0.007290 0Rh 4dyz -0.062222 0.019532 -0.063573 -0.027676 -0.074880 -0.146217 0Rh 4dx2y2 0.045592 0.020594 -0.011682 -0.022753 -0.004649 -0.039859 0Rh 4dxy 0.002284 -0.066326 -0.033294 0.009610 -0.027797 -0.063820 0Rh 5dz2 -0.076114 -0.048654 0.172381 -0.133536 0.025946 0.338636 0Rh 5dxz 0.109372 0.056527 -0.029463 0.149890 -0.005355 0.049764 0Rh 5dyz 0.188324 -0.081761 0.266537 0.091214 0.292059 0.591152 0Rh 5dx2y2 -0.185402 -0.062162 0.048157 0.074642 0.013392 0.160991 0Rh 5dxy -0.050001 0.207128 0.151567 -0.012250 0.131893 0.262590 0Rh 1f0 -0.102885 0.125909 0.054939 -0.109780 0.090069 -0.117582 0Rh 1f+1 -0.029102 -0.004735 0.098872 -0.023062 0.082799 0.006876 0Rh 1f-1 -0.012884 0.215824 -0.120032 0.135342 0.026741 0.006033 0Rh 1f+2 -0.101313 0.040768 0.043465 -0.216107 0.002372 0.000934 0Rh 1f-2 0.016993 0.134319 0.063886 0.009385 0.075076 0.175139 0Rh 1f+3 0.107171 -0.073874 -0.079512 0.079563 0.048802 -0.046360 0Rh 1f-3 0.008762 -0.072793 0.032912 0.000109 -0.110793 -0.139331 1Rh 1s -0.000178 -0.000298 -0.000122 -0.000053 0.000064 0.000068 1Rh 2s 0.000564 0.001198 0.000289 0.000124 -0.000204 -0.000374 1Rh 3s -0.000700 -0.001022 -0.000541 -0.000238 0.000252 0.000172 1Rh 4s -0.002670 -0.005842 -0.001417 -0.000579 0.001019 0.001897 1Rh 5s 0.000557 0.005306 0.000325 -0.000425 -0.001004 -0.003301 1Rh 6s 0.017355 0.019380 0.007067 0.006575 -0.001671 0.002506 1Rh 7s -0.164429 -0.151267 -0.023067 0.014311 0.019002 -0.019754 1Rh 8s 0.081563 -0.051747 -0.003019 0.037170 -0.064339 -0.045565 1Rh 1pz 0.018143 -0.001866 -0.008720 -0.016994 0.002593 0.000974 1Rh 1px -0.004174 0.000150 -0.002906 -0.006734 -0.000795 -0.001460 1Rh 1py -0.010894 -0.016460 0.003548 0.000965 0.008218 0.005927 1Rh 2pz -0.062481 0.006627 0.030008 0.059819 -0.008497 -0.003473 1Rh 2px 0.015210 -0.000182 0.009860 0.023554 0.002955 0.005019 1Rh 2py 0.037532 0.057925 -0.011773 -0.003592 -0.028447 -0.020507 1Rh 3pz 0.019281 -0.007104 -0.007988 -0.047687 -0.006008 0.002906 1Rh 3px -0.022006 -0.006742 0.000224 -0.015417 -0.005153 -0.001319 1Rh 3py -0.012035 -0.046504 -0.005499 0.007380 0.010869 0.007593 1Rh 4pz 0.317525 -0.007812 -0.162306 -0.171480 0.074283 0.014431 1Rh 4px -0.010765 0.026255 -0.064188 -0.083112 0.000003 -0.026025 1Rh 4py -0.188153 -0.162140 0.094269 -0.010989 0.141824 0.102646 1Rh 5pz -0.521676 -0.012584 0.282165 0.197147 -0.112821 -0.035721 1Rh 5px 0.029957 -0.040190 0.109313 0.117509 0.002700 0.040127 1Rh 5py 0.305234 0.174466 -0.149269 0.040435 -0.249293 -0.175245 1Rh 6pz 1.126775 0.278170 -0.624072 0.607137 0.262610 0.216521 1Rh 6px -0.389125 0.091394 -0.251338 0.105870 0.086822 -0.009238 1Rh 6py -0.602582 0.680802 0.320022 -0.433518 0.569552 0.284084 1Rh 1dz2 0.007371 -0.004246 0.002155 -0.011070 0.004871 -0.009249 1Rh 1dxz 0.004106 0.007370 -0.008634 0.016755 0.001656 -0.005342 1Rh 1dyz -0.003910 -0.006191 -0.001991 0.003765 -0.005861 -0.000094 1Rh 1dx2y2 0.016030 -0.009801 -0.006097 0.008389 0.001256 -0.007004 1Rh 1dxy -0.002243 0.019587 -0.001243 -0.003001 0.004820 0.002108 1Rh 2dz2 -0.000800 0.001026 0.002112 0.003284 0.000545 0.005931 1Rh 2dxz 0.000984 -0.001520 0.000455 -0.003320 -0.000287 0.000347 1Rh 2dyz 0.004260 0.001411 0.004349 -0.001106 0.004910 0.009441 1Rh 2dx2y2 -0.002620 0.001277 0.000982 -0.001414 0.000311 0.002516 1Rh 2dxy -0.000015 -0.004401 0.002000 0.001071 0.001722 0.004178 1Rh 3dz2 -0.015403 0.006393 -0.014934 0.013917 -0.014932 -0.002556 1Rh 3dxz -0.015047 -0.012138 0.020130 -0.028299 -0.003000 0.012168 1Rh 3dyz -0.008851 0.009575 -0.014327 -0.004853 -0.006866 -0.042007 1Rh 3dx2y2 -0.029034 0.019243 0.011228 -0.015220 -0.004661 0.006794 1Rh 3dxy 0.005889 -0.030792 -0.005844 0.003026 -0.020082 -0.024087 1Rh 4dz2 -0.012504 0.014822 0.032694 0.048387 0.007629 0.089465 1Rh 4dxz 0.018471 -0.022522 0.006529 -0.050021 -0.004044 0.007239 1Rh 4dyz 0.062136 0.022239 0.067207 -0.015306 0.075090 0.145782 1Rh 4dx2y2 -0.045203 0.021529 0.015578 -0.021773 0.004825 0.039347 1Rh 4dxy -0.002780 -0.065221 0.032649 0.014562 0.027273 0.064388 1Rh 5dz2 0.077354 -0.051641 -0.144801 -0.163370 -0.027247 -0.338863 1Rh 5dxz -0.112425 0.056500 0.000604 0.149609 0.005149 -0.048775 1Rh 5dyz -0.188118 -0.092158 -0.277808 0.039572 -0.290982 -0.590839 1Rh 5dx2y2 0.184454 -0.066077 -0.060810 0.071102 -0.013923 -0.160056 1Rh 5dxy 0.051664 0.203317 -0.152844 -0.034568 -0.129600 -0.265176 1Rh 1f0 -0.104169 -0.126169 0.035499 0.116150 0.091425 -0.116934 1Rh 1f+1 -0.027739 0.005924 0.092140 0.040726 0.081870 0.004865 1Rh 1f-1 -0.008902 -0.220189 -0.089893 -0.156252 0.026451 0.005358 1Rh 1f+2 -0.104957 -0.040291 0.005536 0.220133 0.002063 0.001644 1Rh 1f-2 0.019651 -0.132886 0.066920 0.001594 0.073758 0.176146 1Rh 1f+3 0.107919 0.071700 -0.064242 -0.090927 0.047501 -0.048257 1Rh 1f-3 0.010696 0.072644 0.030554 0.007549 -0.108795 -0.142167 2C 1s 0.000507 -0.001000 -0.000199 0.000668 -0.001774 -0.000710 2C 2s 0.001217 -0.004578 -0.000831 0.001775 -0.007192 -0.001176 2C 3s -0.146936 0.074020 -0.009425 0.002343 0.090105 -0.093684 2C 4s 0.906752 -0.255190 0.052875 -0.092637 -0.159235 0.614722 2C 5s 0.130847 -0.391694 -0.770761 -0.055526 0.564169 1.115440 2C 1pz 0.070051 0.104998 0.038495 -0.018752 0.043854 -0.040754 2C 1px -0.039083 -0.015462 -0.063152 -0.026978 -0.045271 -0.080188 2C 1py -0.134855 -0.084129 0.013858 0.037668 0.049175 0.023814 2C 2pz 0.200488 -0.348101 -0.123255 0.065555 -0.133906 0.521320 2C 2px 0.131501 -0.206939 0.189735 -0.121560 0.041247 0.208117 2C 2py 0.680663 0.144694 -0.096203 -0.272790 0.002728 0.105263 2C 3pz 0.205397 0.011449 -0.106167 -0.054861 0.061542 0.244550 2C 3px -0.093527 -0.059955 -0.047669 0.018393 -0.086592 -0.019303 2C 3py -0.058077 -0.185069 -0.112433 0.083660 0.083458 0.222587 2C 1dz2 -0.011280 -0.006712 -0.017038 -0.019485 0.013553 -0.023849 2C 1dxz 0.027629 0.024744 -0.012890 0.016024 0.018785 0.000907 2C 1dyz -0.019007 0.001688 -0.004699 0.002297 -0.013663 -0.013595 2C 1dx2y2 0.019662 0.007885 -0.004149 -0.014807 0.023470 -0.016949 2C 1dxy -0.011760 0.001185 0.009033 0.032103 -0.012800 0.028267 2C 2dz2 0.083760 -0.042505 -0.002112 0.122570 -0.082402 0.199645 2C 2dxz 0.070897 -0.195878 0.069186 -0.146933 0.006546 0.147241 2C 2dyz 0.284464 -0.035790 -0.013145 -0.078053 -0.020790 0.131721 2C 2dx2y2 -0.131366 -0.037066 0.008309 0.060183 -0.063164 -0.021124 2C 2dxy 0.069399 -0.122549 0.029941 -0.119913 0.020013 0.030184 2C 1f0 0.047773 0.024479 -0.014987 -0.025993 0.023092 -0.036774 2C 1f+1 -0.019128 -0.023370 0.010998 0.007129 -0.021895 0.014609 2C 1f-1 0.011800 -0.002158 -0.003339 0.004248 0.009334 0.028462 2C 1f+2 -0.005630 -0.003779 -0.020636 0.001365 0.003468 -0.001837 2C 1f-2 0.048605 0.005487 -0.003158 -0.012043 0.022114 -0.001976 2C 1f+3 0.013926 0.006351 -0.026298 -0.017576 0.008673 -0.022111 2C 1f-3 -0.025772 -0.010530 0.013680 -0.002475 -0.002194 -0.002203 3C 1s -0.000302 0.000692 0.001850 0.000206 0.000049 -0.000893 3C 2s -0.003169 0.003129 0.007859 -0.000016 -0.001300 -0.002220 3C 3s -0.006732 -0.090704 -0.123992 0.046509 0.081667 0.091409 3C 4s 0.350170 0.429861 0.308180 -0.292693 -0.442399 -0.465524 3C 5s 0.380390 0.047113 -0.660792 -0.125963 -1.224756 -0.062250 3C 1pz -0.031164 -0.100165 -0.126238 -0.024538 0.034794 -0.047464 3C 1px 0.163193 -0.020469 -0.016832 -0.100222 0.081394 0.042233 3C 1py 0.029558 -0.041498 0.008158 -0.061612 -0.010326 -0.060368 3C 2pz 0.235071 0.330234 0.235408 0.065682 -0.292151 0.063927 3C 2px -0.360499 0.318276 0.079564 0.039599 -0.286901 -0.045204 3C 2py -0.334601 -0.031911 -0.090479 0.333743 0.289865 0.355938 3C 3pz 0.137887 -0.071556 -0.186610 -0.076060 -0.137432 -0.101244 3C 3px -0.008613 -0.079799 0.005325 -0.076658 -0.035661 0.015817 3C 3py -0.007016 -0.162081 -0.014511 -0.014410 0.296153 0.026302 3C 1dz2 -0.012568 0.014558 0.016057 -0.002556 0.001325 0.005359 3C 1dxz 0.047579 -0.022874 0.004645 -0.009796 0.006011 -0.036917 3C 1dyz 0.017626 -0.003382 -0.016998 0.001586 -0.011078 -0.004303 3C 1dx2y2 0.018847 -0.009815 0.005411 -0.007379 0.008797 -0.028096 3C 1dxy -0.003061 0.022445 0.005619 -0.024002 0.010798 -0.000216 3C 2dz2 -0.007991 -0.022198 -0.019977 0.118261 0.019260 0.085842 3C 2dxz -0.013351 0.149709 -0.001770 -0.045342 -0.086481 0.002276 3C 2dyz -0.079814 -0.069935 -0.096517 0.004072 0.115337 0.033873 3C 2dx2y2 -0.136981 0.038666 -0.030182 0.058736 0.060819 0.172887 3C 2dxy -0.041344 -0.222759 -0.030769 0.168886 0.090956 0.065405 3C 1f0 -0.000320 -0.012543 0.009697 -0.014420 0.027934 -0.025900 3C 1f+1 -0.050421 0.002020 -0.000604 0.007572 0.002822 0.013725 3C 1f-1 -0.016416 0.012925 -0.005516 0.010680 -0.013127 0.013208 3C 1f+2 -0.029854 -0.002133 0.016794 0.005380 -0.000164 0.022539 3C 1f-2 0.005602 -0.007914 -0.002463 0.002792 -0.003463 -0.003897 3C 1f+3 0.052150 -0.012744 -0.004976 -0.033712 0.005080 -0.034681 3C 1f-3 0.067127 -0.001840 -0.011255 -0.021021 0.008413 -0.021124 4C 1s 0.002095 0.000999 -0.003810 0.000603 0.001998 -0.001218 4C 2s 0.006395 0.003050 -0.010897 0.001854 0.007924 -0.004647 4C 3s -0.176275 -0.062298 0.257757 0.043571 -0.368077 -0.156249 4C 4s 0.608891 0.311098 -1.191334 -0.307509 1.714445 1.107169 4C 5s 0.423367 0.152302 -0.007295 -0.080699 0.543316 0.049238 4C 1pz -0.097866 -0.097241 0.048834 -0.035637 -0.004849 0.004981 4C 1px -0.142024 0.224167 -0.107002 0.192939 -0.034849 -0.193014 4C 1py -0.057399 0.108623 0.018740 0.046911 -0.133201 -0.078804 4C 2pz 0.876458 0.729701 -0.367557 0.386071 0.125444 0.728936 4C 2px 0.816192 -2.428255 0.388248 -1.876290 -0.173686 0.647353 4C 2py 0.481908 -0.764291 -0.195998 -0.548578 0.764606 0.613644 4C 3pz 0.248366 -0.314152 -0.580142 0.091012 0.383663 0.863441 4C 3px 0.413422 -0.403558 -0.146336 -0.185411 -0.063021 0.141625 4C 3py 0.159412 -0.240187 -0.267153 -0.038883 0.226254 0.556530 4C 1dz2 -0.039334 -0.002184 -0.003831 0.007682 0.001611 -0.014999 4C 1dxz 0.009851 0.001874 0.008088 -0.018685 0.023542 0.018300 4C 1dyz 0.017514 0.006896 -0.022561 -0.002592 -0.004163 -0.013020 4C 1dx2y2 -0.004330 0.007016 0.014822 -0.013417 0.021315 -0.006534 4C 1dxy -0.013805 -0.020802 0.017543 0.011479 0.000063 0.040991 4C 2dz2 -0.330644 0.545727 -0.017904 0.672204 -0.406927 -0.147308 4C 2dxz -0.099091 -0.983156 0.348451 -0.707889 -0.345287 0.021570 4C 2dyz -0.176076 0.092006 0.001314 -0.015326 0.208894 -0.186015 4C 2dx2y2 0.316905 -0.141844 -0.030097 -0.043459 0.029384 0.451749 4C 2dxy 0.180784 -0.722692 0.034319 -0.654913 0.203375 0.143918 4C 1f0 -0.017100 -0.015952 -0.005854 -0.027650 0.018226 -0.019383 4C 1f+1 -0.004106 -0.010714 0.001257 0.020320 -0.013103 -0.005755 4C 1f-1 -0.014353 -0.003424 0.002605 0.015604 -0.014244 -0.002063 4C 1f+2 0.008530 0.016305 -0.017094 0.012251 0.077190 0.013387 4C 1f-2 -0.002986 -0.009881 0.000884 -0.014318 0.019361 -0.003108 4C 1f+3 0.012207 0.043015 0.017433 0.008531 -0.031094 0.028134 4C 1f-3 -0.021219 0.028248 0.010154 0.017854 0.009063 0.005018 5C 1s 0.008479 -0.000858 -0.001727 -0.000701 0.000040 0.000131 5C 2s 0.027701 -0.003341 -0.007779 -0.002655 0.001945 0.000322 5C 3s -0.672328 0.079095 0.447679 0.069045 0.142395 0.026027 5C 4s 2.643327 -0.338808 -2.130195 -0.252774 -1.003190 -0.042375 5C 5s 1.152829 0.067803 -0.696357 -0.133297 0.215248 -0.076158 5C 1pz -0.049903 0.117498 0.117912 -0.036239 0.006740 -0.054747 5C 1px -0.167649 -0.164990 0.113451 0.285462 0.088211 0.192834 5C 1py 0.144654 0.024726 -0.001017 0.019712 -0.026842 -0.000245 5C 2pz 0.048426 -0.723248 -0.777903 0.549631 -0.393875 0.070590 5C 2px 2.051844 1.760830 -0.371747 -2.703358 -0.297587 -0.496746 5C 2py -0.774044 -0.106105 0.018259 -0.127645 0.653779 0.391751 5C 3pz 0.156211 0.104375 -0.269640 0.074202 -0.460250 -0.041325 5C 3px 0.706111 0.275709 -0.086607 -0.478935 -0.284892 -0.058140 5C 3py -0.367483 -0.072848 0.448289 0.077427 0.905747 0.238162 5C 1dz2 -0.022198 0.010188 0.023795 0.011552 -0.011746 0.013582 5C 1dxz 0.027766 -0.007873 0.002906 -0.020357 -0.007381 -0.041620 5C 1dyz -0.008240 0.009940 -0.012304 -0.003445 0.002331 -0.005492 5C 1dx2y2 -0.013301 0.008777 0.000922 -0.015057 -0.007284 -0.029567 5C 1dxy 0.022777 -0.013302 0.011070 -0.010924 0.024256 0.016663 5C 2dz2 -0.362052 -0.261329 0.011179 0.422980 0.044317 0.251132 5C 2dxz -0.341216 0.296618 0.038267 -0.273398 0.116394 0.238629 5C 2dyz 0.098073 0.484178 0.320457 -0.498397 -0.050029 -0.181740 5C 2dx2y2 0.687864 0.550567 -0.489403 -0.598025 -0.291729 -0.015295 5C 2dxy -0.233726 -0.747887 -0.065513 0.886123 -0.082493 0.080373 5C 1f0 0.018669 -0.006719 -0.018322 -0.030253 0.009753 0.027422 5C 1f+1 -0.027937 -0.003618 -0.007152 0.023994 -0.001926 -0.006288 5C 1f-1 0.010116 -0.014042 -0.065124 -0.004092 -0.006755 0.020225 5C 1f+2 0.025593 0.001262 0.001757 0.020813 -0.003808 -0.027582 5C 1f-2 -0.001521 -0.039108 -0.059714 0.016528 -0.014654 -0.004089 5C 1f+3 -0.065287 -0.039552 0.012348 0.016586 -0.005515 -0.005639 5C 1f-3 0.033414 -0.008202 -0.031186 -0.001488 -0.008594 -0.006895 6C 1s -0.008341 -0.000946 0.001844 -0.000498 -0.000001 -0.000158 6C 2s -0.027258 -0.003596 0.008181 -0.001591 -0.001820 -0.000349 6C 3s 0.669246 0.078782 -0.453752 -0.002014 -0.139978 -0.031480 6C 4s -2.641201 -0.330725 2.144715 0.093034 0.984258 0.075002 6C 5s -1.154965 0.073001 0.708224 -0.024975 -0.220712 0.069100 6C 1pz -0.051811 -0.118191 0.111672 0.055263 0.006098 -0.051749 6C 1px -0.165770 0.170242 0.161042 -0.265452 0.089143 0.191727 6C 1py 0.144504 -0.023050 0.002790 -0.016185 -0.028480 0.000862 6C 2pz 0.063031 0.721775 -0.681347 -0.675436 -0.390835 0.053679 6C 2px 2.028920 -1.784629 -0.837975 2.642998 -0.302555 -0.483552 6C 2py -0.781500 0.101683 -0.001135 0.101947 0.658708 0.393053 6C 3pz 0.156379 -0.111488 -0.252899 -0.121105 -0.459915 -0.046822 6C 3px 0.699024 -0.285538 -0.170405 0.474014 -0.288126 -0.051867 6C 3py -0.366947 0.081099 0.459206 -0.006040 0.903549 0.250562 6C 1dz2 0.021754 0.009247 -0.025433 0.006927 0.011769 -0.013495 6C 1dxz -0.027057 -0.007572 0.000669 -0.020955 0.007073 0.041144 6C 1dyz 0.008046 0.010263 0.012629 -0.001059 -0.002017 0.005470 6C 1dx2y2 0.013325 0.008881 0.001539 -0.015267 0.007457 0.029774 6C 1dxy -0.022454 -0.013777 -0.008664 -0.013001 -0.024285 -0.016480 6C 2dz2 0.364550 -0.261846 -0.084683 0.425399 -0.041084 -0.257287 6C 2dxz 0.341351 0.295887 0.010751 -0.270157 -0.117082 -0.236171 6C 2dyz -0.097137 0.482535 -0.229990 -0.556588 0.052692 0.177606 6C 2dx2y2 -0.684990 0.556872 0.587580 -0.518692 0.294092 0.015212 6C 2dxy 0.226159 -0.754149 -0.083072 0.888991 0.085604 -0.077452 6C 1f0 0.018586 0.006890 -0.023881 0.026887 0.009782 0.027115 6C 1f+1 -0.027830 0.003205 -0.002237 -0.025571 -0.001966 -0.005824 6C 1f-1 0.010178 0.013312 -0.065212 -0.007459 -0.006614 0.019586 6C 1f+2 0.025452 -0.001186 0.005902 -0.019709 -0.004106 -0.027385 6C 1f-2 -0.000855 0.038858 -0.056553 -0.027154 -0.014216 -0.005009 6C 1f+3 -0.064943 0.039518 0.014202 -0.015106 -0.005513 -0.006133 6C 1f-3 0.033566 0.007733 -0.031159 -0.003357 -0.008305 -0.007152 7C 1s -0.002092 0.001117 0.003648 0.001457 -0.002010 0.001316 7C 2s -0.006413 0.003467 0.010415 0.004395 -0.007882 0.004994 7C 3s 0.179103 -0.074832 -0.261252 -0.014671 0.357838 0.154958 7C 4s -0.623147 0.368017 1.225575 -0.046141 -1.656634 -1.110671 7C 5s -0.432323 0.165333 0.027800 -0.065308 -0.536941 -0.049176 7C 1pz -0.100051 0.097415 0.038048 0.045094 -0.003920 0.002360 7C 1px -0.140478 -0.226682 -0.064698 -0.211057 -0.036743 -0.191588 7C 1py -0.059471 -0.107332 0.029360 -0.041400 -0.133052 -0.077533 7C 2pz 0.889659 -0.722784 -0.267696 -0.448822 0.121351 0.747606 7C 2px 0.799524 2.424289 -0.016092 1.949016 -0.146524 0.630467 7C 2py 0.492003 0.755217 -0.308697 0.507628 0.772915 0.610324 7C 3pz 0.249541 0.294898 -0.547887 -0.194123 0.386264 0.864501 7C 3px 0.420370 0.396677 -0.187595 0.168028 -0.049773 0.132998 7C 3py 0.163804 0.228615 -0.269188 -0.007182 0.234142 0.560302 7C 1dz2 0.039398 -0.001609 0.002289 0.008661 -0.001987 0.015172 7C 1dxz -0.009632 0.001572 -0.004450 -0.019756 -0.023803 -0.018489 7C 1dyz -0.017358 0.007437 0.022689 0.001117 0.003875 0.013066 7C 1dx2y2 0.003960 0.006881 -0.012316 -0.015707 -0.021302 0.006470 7C 1dxy 0.013922 -0.020932 -0.018907 0.008645 0.000166 -0.040496 7C 2dz2 0.321758 0.542064 -0.114534 0.669341 0.417028 0.145549 7C 2dxz 0.118395 -0.987563 -0.193693 -0.767955 0.344307 -0.018372 7C 2dyz 0.176088 0.100673 0.000285 -0.009819 -0.198978 0.189694 7C 2dx2y2 -0.317112 -0.137192 0.040492 -0.032726 -0.024615 -0.454650 7C 2dxy -0.172293 -0.722907 0.098476 -0.657612 -0.203637 -0.146374 7C 1f0 -0.017156 0.015211 -0.011205 0.026130 0.018691 -0.020229 7C 1f+1 -0.003509 0.010947 0.004768 -0.019429 -0.012381 -0.006071 7C 1f-1 -0.014655 0.004216 0.005206 -0.014301 -0.013050 -0.002365 7C 1f+2 0.009111 -0.017147 -0.014301 -0.016201 0.076307 0.013166 7C 1f-2 -0.003047 0.009637 -0.002171 0.014888 0.019920 -0.003801 7C 1f+3 0.011994 -0.042297 0.019555 -0.005333 -0.031323 0.028606 7C 1f-3 -0.021225 -0.027758 0.013837 -0.016290 0.008570 0.004888 8C 1s 0.000298 0.000720 -0.001846 -0.000105 -0.000085 0.000847 8C 2s 0.003144 0.003215 -0.007689 -0.001338 0.001201 0.002077 8C 3s 0.007790 -0.091380 0.112474 0.070592 -0.082770 -0.088975 8C 4s -0.355270 0.431088 -0.245193 -0.365409 0.452876 0.456016 8C 5s -0.377704 0.056689 0.675461 -0.016714 1.225931 0.083214 8C 1pz -0.027518 0.098545 -0.129841 0.002097 0.036253 -0.052369 8C 1px 0.160008 0.021641 -0.034116 0.095436 0.080748 0.045479 8C 1py 0.030135 0.040296 -0.004699 0.062883 -0.009069 -0.061290 8C 2pz 0.225214 -0.327083 0.244460 -0.017771 -0.300534 0.078829 8C 2px -0.351696 -0.319640 0.085626 -0.018436 -0.286608 -0.053631 8C 2py -0.339538 0.034737 -0.022395 -0.359957 0.292071 0.356416 8C 3pz 0.139637 0.071657 -0.199612 0.047067 -0.136961 -0.105767 8C 3px -0.011985 0.079986 -0.009868 0.074304 -0.035769 0.012693 8C 3py -0.007166 0.163909 -0.017688 0.009482 0.299177 0.025670 8C 1dz2 0.011814 0.014078 -0.015491 -0.005412 -0.001354 -0.005112 8C 1dxz -0.046684 -0.022334 -0.002904 -0.010997 -0.006018 0.036360 8C 1dyz -0.017376 -0.003267 0.016736 0.004022 0.011728 0.004227 8C 1dx2y2 -0.018868 -0.009351 -0.003951 -0.008756 -0.008574 0.028118 8C 1dxy 0.002958 0.022054 -0.001708 -0.024755 -0.010985 0.000230 8C 2dz2 0.010832 -0.022074 -0.001687 0.123118 -0.017852 -0.088436 8C 2dxz 0.012231 0.149574 0.009804 -0.046107 0.087505 -0.002457 8C 2dyz 0.079623 -0.069083 0.092287 0.026488 -0.119821 -0.028662 8C 2dx2y2 0.137719 0.037785 0.017348 0.068213 -0.061901 -0.172542 8C 2dxy 0.043486 -0.223083 0.000183 0.177313 -0.091898 -0.067555 8C 1f0 -0.000674 0.011994 0.007116 0.015783 0.028275 -0.025917 8C 1f+1 -0.049527 -0.002163 0.000673 -0.008273 0.002904 0.013211 8C 1f-1 -0.016334 -0.012515 -0.003831 -0.011460 -0.013622 0.013233 8C 1f+2 -0.029964 0.001881 0.017519 -0.003268 0.000257 0.022255 8C 1f-2 0.004744 0.008020 -0.001739 -0.003593 -0.003211 -0.003230 8C 1f+3 0.050855 0.012032 -0.010645 0.032867 0.005068 -0.033821 8C 1f-3 0.066287 0.001765 -0.014913 0.019557 0.007997 -0.020104 9C 1s -0.000496 -0.000988 0.000114 0.000583 0.001648 0.000771 9C 2s -0.001190 -0.004591 0.000638 0.001486 0.006749 0.001380 9C 3s 0.147696 0.077495 0.007893 0.010429 -0.081229 0.093387 9C 4s -0.912766 -0.273203 -0.035269 -0.121371 0.124183 -0.621206 9C 5s -0.131295 -0.366940 0.758658 0.089563 -0.554749 -1.123090 9C 1pz 0.070247 -0.103452 0.037586 0.024630 0.040324 -0.038268 9C 1px -0.035977 0.011672 -0.068429 0.014685 -0.042220 -0.082195 9C 1py -0.133065 0.081567 0.018070 -0.038425 0.046484 0.022288 9C 2pz 0.205004 0.352078 -0.116201 -0.080893 -0.115224 0.519531 9C 2px 0.117246 0.219230 0.165708 0.157398 0.033865 0.214713 9C 2py 0.677600 -0.134633 -0.137300 0.266181 0.017421 0.112181 9C 3pz 0.206249 -0.014039 -0.110248 0.037793 0.065686 0.247712 9C 3px -0.090887 0.057082 -0.042394 -0.021606 -0.085712 -0.021050 9C 3py -0.057263 0.183408 -0.096590 -0.105471 0.082905 0.222919 9C 1dz2 0.011914 -0.006192 0.020207 -0.015930 -0.013504 0.023925 9C 1dxz -0.029064 0.025238 0.009693 0.017612 -0.019525 -0.000290 9C 1dyz 0.019331 0.001984 0.004571 0.003018 0.013621 0.013763 9C 1dx2y2 -0.019897 0.008029 0.006575 -0.014450 -0.023746 0.017034 9C 1dxy 0.010896 0.001453 -0.014236 0.029810 0.012741 -0.027349 9C 2dz2 -0.085513 -0.045204 -0.019019 0.120025 0.078418 -0.197566 9C 2dxz -0.064924 -0.198588 -0.039161 -0.157873 -0.006060 -0.149993 9C 2dyz -0.285788 -0.041457 0.025802 -0.080863 0.010950 -0.135383 9C 2dx2y2 0.132861 -0.034834 -0.017860 0.060141 0.067226 0.023094 9C 2dxy -0.066277 -0.126088 -0.006484 -0.124936 -0.019927 -0.032386 9C 1f0 0.047520 -0.024376 -0.018587 0.023797 0.023123 -0.036228 9C 1f+1 -0.018578 0.023185 0.011771 -0.004235 -0.022267 0.013917 9C 1f-1 0.012106 0.002240 -0.002701 -0.005510 0.009337 0.028401 9C 1f+2 -0.006702 0.003186 -0.020849 -0.005289 0.003438 -0.003200 9C 1f-2 0.048769 -0.005343 -0.005410 0.011514 0.023059 -0.001752 9C 1f+3 0.014915 -0.007143 -0.029234 0.012999 0.009070 -0.022143 9C 1f-3 -0.026666 0.010783 0.012085 0.005321 -0.003013 -0.002812 10H 1s 0.003864 -0.021501 0.034028 -0.055715 -0.007659 -0.066165 10H 2s -0.055959 -0.053071 -0.140712 0.020921 -0.008296 0.107292 10H 3s 0.086510 0.101904 0.130718 -0.031645 -0.007507 -0.093466 10H 1pz 0.038197 0.046544 -0.045417 -0.006272 -0.036583 -0.061426 10H 1px 0.013804 0.005582 -0.029213 -0.004265 -0.049435 -0.067559 10H 1py -0.090177 -0.070809 -0.021758 0.008203 -0.018349 -0.004150 11H 1s 0.147119 0.061793 -0.027150 -0.040173 0.098304 -0.026323 11H 2s -0.357831 -0.224261 0.063797 0.126355 -0.188474 0.083464 11H 3s 0.231695 0.151459 0.022025 -0.098056 -0.050627 -0.185504 11H 1pz 0.036830 -0.056061 0.043880 0.013273 0.071159 0.087941 11H 1px -0.073272 -0.050589 -0.047522 0.001212 -0.049059 -0.043071 11H 1py -0.003480 -0.099093 0.002764 0.003805 0.023574 0.078142 12H 1s -0.024634 -0.017912 0.072918 0.085253 -0.043753 0.131157 12H 2s 0.192058 0.132789 -0.100732 -0.169971 0.026405 -0.218556 12H 3s -0.197037 -0.168166 0.104135 0.192578 -0.162612 0.072718 12H 1pz 0.167620 0.051149 0.076729 -0.045066 -0.000298 0.069264 12H 1px 0.019070 0.000962 -0.055714 -0.043928 -0.019265 -0.078126 12H 1py 0.041731 0.005459 0.036336 -0.011161 -0.001176 0.036849 13H 1s -0.103756 0.053595 0.026202 -0.007127 0.038934 0.064909 13H 2s 0.384190 -0.007046 -0.011173 -0.103783 -0.054618 -0.079993 13H 3s -0.224485 0.084376 0.054755 0.101966 0.073660 -0.000230 13H 1pz 0.058311 -0.024890 -0.032737 -0.053344 0.028791 -0.017169 13H 1px 0.090310 0.006624 0.036008 -0.054987 0.058611 0.039371 13H 1py -0.029857 -0.058369 -0.083724 -0.025570 -0.010986 -0.069714 14H 1s 0.152787 -0.047492 -0.013365 -0.061238 0.041352 -0.157415 14H 2s -0.386216 0.148174 0.110473 0.207186 -0.143911 0.262781 14H 3s 0.210279 -0.156283 0.052273 -0.185487 0.207342 -0.174716 14H 1pz -0.095065 -0.003288 -0.019105 0.032737 -0.035555 -0.070249 14H 1px 0.071322 0.042682 0.026069 -0.025140 0.015072 0.058863 14H 1py -0.007489 -0.125069 -0.051682 -0.013092 0.056752 0.043695 15H 1s 0.019263 0.024390 -0.054461 0.033348 -0.041602 0.019237 15H 2s -0.135113 -0.144498 0.085844 -0.107145 0.075470 -0.070095 15H 3s -0.119021 0.157647 0.177591 0.095350 0.001971 0.081825 15H 1pz -0.010716 -0.034940 -0.079124 -0.041899 -0.028293 -0.095326 15H 1px 0.139581 -0.012086 -0.001165 -0.096849 0.050354 0.009010 15H 1py 0.049123 0.042317 0.077798 0.032360 0.035483 0.048633 16H 1s -0.036664 0.029989 -0.008159 0.025628 0.002259 -0.018080 16H 2s 0.113819 -0.127328 0.016286 -0.148389 -0.008127 0.101663 16H 3s 0.037756 0.056997 0.015220 0.028200 0.009297 -0.037689 16H 1pz -0.043371 -0.014199 -0.002224 0.000009 -0.032835 -0.001211 16H 1px 0.032663 -0.055517 0.044220 0.015533 -0.013210 0.000340 16H 1py 0.118344 -0.089811 0.016676 -0.096821 0.024745 0.012829 17H 1s -0.024133 0.018728 -0.009429 -0.004909 0.011778 0.001055 17H 2s 0.009462 -0.066428 0.026227 0.115622 -0.018600 -0.034713 17H 3s -0.004193 0.024263 -0.029280 -0.023261 -0.059909 -0.018239 17H 1pz -0.111848 0.033255 0.024375 0.027277 -0.006778 -0.005010 17H 1px 0.059407 -0.022526 -0.076459 0.044428 -0.057188 -0.090321 17H 1py 0.073231 -0.051977 -0.023800 0.112578 -0.025762 -0.054972 18H 1s 0.023578 0.017985 0.010512 -0.001427 -0.013097 -0.002881 18H 2s -0.007688 -0.061239 -0.050806 0.108016 0.022934 0.039951 18H 3s 0.001845 0.023063 0.033275 -0.018057 0.058071 0.014914 18H 1pz -0.110981 -0.031691 0.029010 -0.020984 -0.004768 -0.001273 18H 1px 0.060022 0.017187 -0.065929 -0.057416 -0.058583 -0.088414 18H 1py 0.073793 0.047513 -0.002023 -0.113986 -0.027924 -0.058082 19H 1s 0.036567 0.030497 0.003453 0.028027 -0.002811 0.015860 19H 2s -0.109866 -0.130997 0.009517 -0.148374 0.007700 -0.095264 19H 3s -0.037010 0.057898 -0.020873 0.025041 -0.007624 0.035265 19H 1pz -0.043841 0.012275 -0.002332 -0.000390 -0.033014 -0.002769 19H 1px 0.031677 0.058374 0.048169 -0.009066 -0.012614 0.000130 19H 1py 0.116317 0.092134 -0.002016 0.098424 0.023481 0.009126 20H 1s -0.018106 0.023572 0.048272 0.042128 0.043576 -0.019933 20H 2s 0.130239 -0.141587 -0.063647 -0.119989 -0.079874 0.075300 20H 3s 0.121460 0.156183 -0.193419 0.065136 0.001078 -0.089076 20H 1pz -0.007915 0.032956 -0.086684 0.029112 -0.027676 -0.098933 20H 1px 0.137760 0.013222 -0.018474 0.096688 0.050011 0.010513 20H 1py 0.047072 -0.040434 0.083812 -0.018880 0.035065 0.052711 21H 1s -0.151454 -0.045395 0.023631 -0.060607 -0.040707 0.155669 21H 2s 0.383767 0.145885 -0.146567 0.187899 0.142971 -0.259914 21H 3s -0.206706 -0.155929 -0.015938 -0.193666 -0.207220 0.172678 21H 1pz -0.092111 0.000880 -0.012465 -0.035342 -0.035019 -0.073407 21H 1px 0.069824 -0.041943 0.021862 0.030199 0.014266 0.061644 21H 1py -0.007117 0.125799 -0.054733 0.001647 0.058739 0.041102 22H 1s 0.100397 0.052126 -0.024591 -0.011699 -0.039638 -0.062472 22H 2s -0.374668 -0.006449 0.030047 -0.101138 0.055836 0.071994 22H 3s 0.217107 0.082436 -0.073292 0.090776 -0.074098 0.000496 22H 1pz 0.058296 0.024857 -0.042642 0.046710 0.029225 -0.017300 22H 1px 0.088834 -0.005164 0.025406 0.061014 0.057834 0.041813 22H 1py -0.028979 0.054972 -0.087016 0.009739 -0.009545 -0.073359 23H 1s 0.022770 -0.019336 -0.085909 0.072022 0.044135 -0.130510 23H 2s -0.184763 0.131242 0.125592 -0.157012 -0.025997 0.218470 23H 3s 0.192806 -0.170657 -0.132661 0.171724 0.158694 -0.069673 23H 1pz 0.166047 -0.046973 0.069447 0.060933 0.000711 0.071798 23H 1px 0.019279 -0.003027 -0.063915 0.033591 -0.015824 -0.079830 23H 1py 0.041781 -0.004498 0.033833 0.019475 -0.002879 0.036969 24H 1s -0.149347 0.062559 0.032176 -0.035141 -0.100889 0.025847 24H 2s 0.360087 -0.225680 -0.080813 0.113163 0.192470 -0.081652 24H 3s -0.234342 0.149794 -0.005759 -0.108204 0.042221 0.186905 24H 1pz 0.038143 0.057199 0.046086 -0.004131 0.069779 0.088546 24H 1px -0.071183 0.047624 -0.047933 -0.010752 -0.047590 -0.044634 24H 1py -0.002073 0.098779 0.001371 -0.003513 0.024246 0.077660 25H 1s -0.000709 -0.023331 -0.024553 -0.061486 0.009236 0.063425 25H 2s 0.050984 -0.047176 0.140450 0.048281 0.000909 -0.101152 25H 3s -0.081577 0.095915 -0.125089 -0.053738 0.007651 0.089332 25H 1pz 0.037834 -0.045288 -0.044803 -0.001648 -0.033684 -0.060324 25H 1px 0.015198 -0.006633 -0.029597 -0.000083 -0.046749 -0.068134 25H 1py -0.089519 0.067901 -0.021786 -0.013885 -0.016312 -0.005858 26O 1s 0.003000 -0.006269 0.004380 -0.006704 0.002266 0.000732 26O 2s 0.005838 -0.012329 0.011321 -0.014279 0.004401 -0.000853 26O 3s 0.039402 -0.087598 -0.023655 -0.066191 0.026015 0.055199 26O 4s -0.359930 0.901255 -0.157563 0.832346 -0.227687 -0.201731 26O 5s -1.047544 1.454794 0.375919 1.113544 -0.662647 -1.508826 26O 1pz -0.019697 0.037186 -0.020339 0.028985 0.025737 -0.018536 26O 1px -0.002924 -0.046652 -0.030745 -0.040120 0.013819 0.032526 26O 1py -0.018060 0.007160 0.013332 0.025151 -0.012279 -0.000744 26O 2pz 0.035450 -0.027641 -0.034900 -0.059991 0.007449 0.031829 26O 2px 0.293976 -0.598809 0.075111 -0.545640 0.175317 0.256785 26O 2py 0.092241 -0.303634 -0.009011 -0.193781 0.084399 0.141958 26O 3pz 0.009777 -0.070543 -0.096144 -0.019450 0.157688 -0.305347 26O 3px 0.444460 -0.769736 -0.332646 -0.608288 0.431201 0.431802 26O 3py 0.546743 -0.124572 -0.153490 -0.351729 -0.192573 0.051842 26O 1dz2 -0.003325 -0.000906 -0.002289 0.009857 -0.001049 -0.000464 26O 1dxz -0.003308 0.000649 -0.000761 0.004219 -0.004793 -0.002871 26O 1dyz -0.000565 0.006698 -0.000648 0.000223 -0.000794 0.001333 26O 1dx2y2 0.003821 -0.009041 0.001647 -0.002224 -0.003169 0.008228 26O 1dxy -0.001172 -0.004654 -0.000689 -0.001929 0.006433 0.000468 26O 2dz2 -0.068576 -0.299901 -0.066858 -0.123980 0.022545 0.007334 26O 2dxz -0.088758 0.033461 0.079957 0.107378 -0.262360 0.003102 26O 2dyz -0.004345 -0.061844 -0.019845 -0.149715 -0.201956 -0.063673 26O 2dx2y2 0.047716 0.120234 0.153723 0.229723 -0.294420 0.126988 26O 2dxy -0.174339 0.074800 -0.029695 0.042011 0.315114 -0.188254 26O 1f0 -0.005286 0.005477 -0.000174 -0.001464 0.001465 -0.005842 26O 1f+1 -0.005075 0.014442 -0.001056 0.005299 -0.000859 -0.007253 26O 1f-1 -0.003022 0.002333 0.000982 -0.001230 -0.001901 -0.007697 26O 1f+2 0.001180 0.006518 0.001021 -0.001970 0.005107 0.000367 26O 1f-2 0.002750 -0.008626 0.002550 -0.006777 0.003525 0.007902 26O 1f+3 -0.005368 0.004941 -0.000575 0.008594 -0.001402 -0.001545 26O 1f-3 -0.011694 0.017744 -0.003789 0.019367 -0.011553 -0.011749 27O 1s 0.001237 0.005599 -0.002800 -0.007441 0.002871 -0.002016 27O 2s -0.001753 0.011410 -0.005663 -0.015111 0.009135 -0.003229 27O 3s 0.134309 0.068537 -0.028924 -0.089960 -0.051548 -0.027619 27O 4s -0.673683 -0.786797 0.250650 0.966456 0.020775 0.178556 27O 5s -2.685116 -0.899281 1.046290 1.676648 1.056428 0.558373 27O 1pz 0.000896 -0.022335 0.018551 0.013086 0.022526 0.002491 27O 1px 0.040441 0.016140 -0.013438 -0.032782 -0.027026 0.012538 27O 1py -0.002743 0.042100 0.038287 -0.035270 -0.009553 -0.001062 27O 2pz 0.014203 -0.079909 -0.009279 0.011014 -0.007038 0.003368 27O 2px 0.623653 0.505319 -0.254809 -0.710525 -0.133618 -0.200568 27O 2py -0.155572 -0.124877 0.035580 0.118341 0.064927 0.012046 27O 3pz -0.008712 0.244965 0.391876 0.071704 0.089367 -0.020680 27O 3px 1.608255 0.605214 -0.414059 -1.013929 -0.371060 0.055999 27O 3py -0.438484 0.035973 0.230710 0.267607 -0.201689 -0.344430 27O 1dz2 -0.003618 0.004602 0.002709 0.008366 0.001105 0.002556 27O 1dxz -0.002785 -0.003305 -0.005041 0.004086 0.002343 0.008395 27O 1dyz 0.000669 -0.000600 0.002003 -0.004348 0.002693 -0.000119 27O 1dx2y2 0.001950 0.010473 -0.002896 -0.004756 -0.003371 -0.001002 27O 1dxy -0.003524 -0.000860 -0.003646 -0.000079 -0.002754 -0.000238 27O 2dz2 0.121805 0.180687 0.078788 -0.030733 -0.057266 -0.029290 27O 2dxz -0.196041 -0.136354 -0.357210 0.064838 -0.001429 0.324524 27O 2dyz 0.068272 -0.186630 -0.051355 0.093387 0.021802 -0.145721 27O 2dx2y2 -0.361500 -0.154893 -0.042817 0.330353 0.010141 -0.056802 27O 2dxy 0.143241 -0.090929 -0.351945 -0.030746 -0.082080 0.079910 27O 1f0 0.000838 0.001480 0.001160 0.000588 -0.002864 0.001035 27O 1f+1 -0.017295 -0.015245 0.010990 0.016525 0.005204 0.005678 27O 1f-1 0.003878 0.005782 -0.006695 -0.000476 -0.002598 -0.001362 27O 1f+2 -0.003109 -0.007262 -0.001023 0.006491 -0.002653 -0.002842 27O 1f-2 -0.003064 -0.002030 -0.000019 0.008559 0.001339 0.005252 27O 1f+3 -0.018477 -0.006255 0.007728 0.018362 0.002225 0.006820 27O 1f-3 0.011396 0.004696 -0.005585 -0.013228 -0.004983 -0.012764 28O 1s -0.001435 0.006889 0.002750 0.006081 0.001198 -0.001814 28O 2s -0.004252 0.013952 0.009591 0.013177 0.002568 -0.003662 28O 3s 0.026630 0.088292 -0.072399 0.053188 0.020715 -0.000213 28O 4s -0.097927 -0.961052 0.150663 -0.743608 -0.179993 0.062973 28O 5s -0.022281 -1.116760 1.047094 -0.720143 -0.784554 -0.654403 28O 1pz 0.050103 -0.018984 -0.006177 -0.020117 0.043774 0.023544 28O 1px 0.026719 -0.035992 0.013211 -0.031889 -0.005645 -0.058611 28O 1py -0.037380 -0.023779 0.033814 -0.016214 -0.018046 0.025076 28O 2pz 0.037077 0.386369 -0.139732 0.313117 0.095643 0.054353 28O 2px -0.016778 -0.532214 0.167338 -0.387047 -0.110896 0.069035 28O 2py 0.078271 0.071120 -0.039056 -0.014842 0.057425 0.017191 28O 3pz 0.081070 0.673416 -0.051859 0.146786 0.727128 0.509822 28O 3px -0.232321 -0.570696 0.409787 -0.378925 -0.355607 -0.527870 28O 3py 0.139022 0.114365 0.008784 0.256354 -0.075610 0.229484 28O 1dz2 0.006933 0.000492 0.002670 -0.007435 -0.000035 0.002252 28O 1dxz -0.000741 -0.004470 0.001300 -0.008110 0.000609 -0.001746 28O 1dyz -0.003239 -0.003998 0.000393 -0.001224 0.002692 0.001074 28O 1dx2y2 -0.002263 0.008358 -0.004763 0.000032 0.000466 -0.005163 28O 1dxy -0.001016 -0.000486 -0.003347 0.002455 -0.006856 -0.003222 28O 2dz2 0.148509 0.104685 0.047814 -0.017868 -0.101892 0.046463 28O 2dxz 0.058247 0.285787 -0.070098 0.027088 0.312573 0.142876 28O 2dyz -0.082122 0.077510 0.033110 0.140117 0.120895 0.085171 28O 2dx2y2 -0.076844 -0.027261 -0.046867 -0.221569 0.088873 -0.306684 28O 2dxy 0.022800 0.124778 -0.025668 0.205444 -0.317498 0.080580 28O 1f0 -0.006931 -0.011516 0.000687 0.000248 0.000893 -0.000624 28O 1f+1 0.000906 -0.010746 0.005741 -0.006876 0.002141 0.005009 28O 1f-1 0.000950 0.009066 -0.000360 0.007846 0.000865 -0.002841 28O 1f+2 -0.003629 0.012560 -0.006965 0.014121 0.007406 -0.001855 28O 1f-2 -0.000430 -0.005894 0.006885 0.000161 -0.000498 0.007191 28O 1f+3 0.001952 0.012804 -0.003109 0.007613 0.005004 -0.000087 28O 1f-3 0.001146 -0.000155 0.000873 0.000327 -0.004738 0.003465 29O 1s -0.000587 0.000278 -0.000316 0.000311 0.000262 -0.000071 29O 2s -0.003439 0.001600 -0.001296 0.001395 0.000901 -0.000542 29O 3s 0.054874 -0.028661 0.013885 -0.016329 -0.005608 0.011599 29O 4s -0.244599 0.081465 -0.039627 0.059221 0.015168 -0.043493 29O 5s 0.403104 0.087764 0.014738 -0.080799 -0.015104 0.021274 29O 1pz 0.002854 0.002256 -0.001688 0.009494 -0.008899 -0.011151 29O 1px -0.055930 0.016239 0.006607 0.001967 0.000240 0.000961 29O 1py -0.045350 0.042741 -0.005217 -0.003145 -0.004349 -0.000922 29O 2pz -0.014859 -0.026242 -0.007466 -0.049245 -0.012376 0.003827 29O 2px 0.005610 0.018997 -0.016013 -0.013218 -0.011231 -0.013177 29O 2py 0.065594 -0.053681 0.019701 -0.006916 0.005301 0.018237 29O 3pz 0.125453 -0.010169 0.027344 -0.131153 -0.004787 0.057147 29O 3px -0.208174 -0.008879 0.026730 -0.032386 0.068789 0.059245 29O 3py -0.055404 -0.000518 -0.019481 -0.005447 -0.027587 0.004390 29O 1dz2 0.000501 -0.000957 -0.000042 -0.002218 0.000357 -0.000162 29O 1dxz 0.001431 0.001779 0.000297 0.003270 0.001303 -0.000183 29O 1dyz -0.001638 -0.000381 -0.000598 0.002223 -0.001078 -0.000888 29O 1dx2y2 0.000973 -0.001362 -0.000574 0.001954 0.000215 -0.001106 29O 1dxy -0.000535 0.003477 -0.000349 -0.000363 -0.001403 -0.001390 29O 2dz2 -0.043712 0.027488 -0.034645 0.010083 -0.032402 -0.035929 29O 2dxz 0.046449 -0.021365 0.053202 -0.013881 0.040097 0.043288 29O 2dyz 0.000250 -0.030857 0.045495 -0.017319 0.046915 0.026769 29O 2dx2y2 -0.056085 0.068989 0.035575 -0.045473 0.037911 0.071696 29O 2dxy 0.030621 0.042768 0.009095 0.006157 -0.012333 -0.018737 29O 1f0 0.002205 -0.003688 0.001192 -0.001888 -0.000878 0.001716 29O 1f+1 -0.001893 0.000478 -0.000810 -0.001780 -0.000861 -0.001655 29O 1f-1 0.005286 -0.005444 0.000641 -0.003322 -0.001156 0.000837 29O 1f+2 -0.000045 0.002469 -0.000540 0.003697 0.000564 -0.001341 29O 1f-2 0.005205 -0.003667 0.001121 0.002057 0.000619 0.001282 29O 1f+3 -0.003013 0.001124 -0.000192 -0.001709 -0.000801 0.000235 29O 1f-3 -0.002728 -0.001858 -0.000449 -0.000329 0.000250 0.000468 30O 1s -0.001681 -0.006131 -0.001816 0.005905 0.003769 -0.000352 30O 2s -0.004911 -0.013253 -0.004119 0.011550 0.010403 -0.002691 30O 3s 0.024542 -0.054478 -0.019233 0.083355 -0.040570 0.028220 30O 4s -0.063664 0.733910 0.213317 -0.848218 -0.035318 -0.018385 30O 5s 0.063256 0.768772 0.770454 -1.058957 0.906419 -0.187690 30O 1pz 0.029897 0.000903 -0.014797 -0.007396 0.008496 -0.032811 30O 1px 0.041047 0.047003 0.017256 -0.039113 0.054613 0.005347 30O 1py 0.015847 -0.004911 0.040566 0.019924 0.036837 0.008744 30O 2pz -0.022708 -0.204214 -0.096013 0.315571 -0.075242 0.048847 30O 2px -0.006522 0.384608 0.094951 -0.429503 -0.013002 -0.065674 30O 2py -0.040211 0.256619 0.090332 -0.269089 0.063771 0.004072 30O 3pz 0.049751 -0.296899 -0.179180 0.300579 -0.285855 -0.371444 30O 3px -0.071346 0.290011 0.424159 -0.443240 0.437058 0.053257 30O 3py -0.201370 0.157866 0.673559 -0.487024 0.246709 0.197427 30O 1dz2 0.003642 -0.002940 -0.006104 -0.005743 0.001307 -0.003320 30O 1dxz 0.000404 0.001265 0.004422 -0.007975 0.000482 -0.003425 30O 1dyz 0.000803 0.001015 0.001158 0.002561 0.000612 -0.001421 30O 1dx2y2 0.002281 -0.009325 0.002499 0.001459 0.001930 0.004778 30O 1dxy 0.000163 -0.003735 0.001666 0.002933 -0.000318 -0.002756 30O 2dz2 0.153025 -0.107559 -0.282003 -0.148722 -0.013906 -0.035818 30O 2dxz -0.021414 -0.138851 0.175274 0.052052 -0.104893 -0.295382 30O 2dyz 0.001641 0.106124 -0.073837 0.047179 -0.029887 0.056315 30O 2dx2y2 0.094267 0.008171 0.078224 -0.124036 0.099773 0.094701 30O 2dxy 0.114965 0.199805 0.327124 -0.278797 0.186792 -0.023742 30O 1f0 0.000809 0.013843 0.005802 -0.015739 -0.001117 -0.004298 30O 1f+1 0.001384 0.001583 0.004040 -0.000487 -0.000579 -0.004091 30O 1f-1 0.001855 -0.004577 -0.004938 -0.008951 0.001935 -0.001488 30O 1f+2 -0.001213 0.000402 -0.003109 0.001546 -0.002889 0.000485 30O 1f-2 0.002393 -0.014831 -0.004866 0.012961 -0.000004 0.009364 30O 1f+3 -0.004089 0.000054 -0.001880 0.000181 -0.001948 -0.003765 30O 1f-3 0.001107 -0.003513 -0.000490 0.009916 -0.000636 -0.002446 31O 1s 0.001596 -0.006132 0.000787 0.006218 -0.003741 0.000439 31O 2s 0.004726 -0.013207 0.002092 0.012323 -0.010331 0.002884 31O 3s -0.025102 -0.055498 0.004869 0.084852 0.040411 -0.027838 31O 4s 0.070567 0.737699 -0.066705 -0.873583 0.032974 0.013437 31O 5s -0.047526 0.776905 -0.578101 -1.186257 -0.893249 0.164562 31O 1pz 0.030523 -0.001620 -0.015757 0.004848 0.008897 -0.033982 31O 1px 0.040192 -0.046578 0.010553 0.042560 0.053825 0.006257 31O 1py 0.015674 0.006137 0.043335 -0.013004 0.036768 0.009689 31O 2pz -0.019429 0.205953 -0.040248 -0.328094 -0.074994 0.046503 31O 2px -0.009993 -0.388165 0.020848 0.441395 -0.013270 -0.062469 31O 2py -0.042737 -0.258093 0.044113 0.280151 0.062663 0.006688 31O 3pz 0.056075 0.302653 -0.127499 -0.323473 -0.284068 -0.378861 31O 3px -0.077037 -0.288192 0.340416 0.511894 0.434705 0.061117 31O 3py -0.206577 -0.154108 0.574754 0.600947 0.247675 0.200952 31O 1dz2 -0.003513 -0.002755 0.007077 -0.004615 -0.001320 0.003260 31O 1dxz -0.000326 0.001260 -0.002916 -0.008682 -0.000503 0.003418 31O 1dyz -0.000815 0.001002 -0.001626 0.002303 -0.000578 0.001349 31O 1dx2y2 -0.002194 -0.009449 -0.002586 0.001071 -0.002003 -0.004816 31O 1dxy -0.000177 -0.003774 -0.002103 0.002525 0.000338 0.002731 31O 2dz2 -0.149427 -0.100482 0.304539 -0.097208 0.012013 0.034865 31O 2dxz 0.018513 -0.140498 -0.180628 0.017554 0.102672 0.298457 31O 2dyz -0.004576 0.104997 0.063204 0.059607 0.029146 -0.055182 31O 2dx2y2 -0.092062 0.004324 -0.054610 -0.136444 -0.100965 -0.097091 31O 2dxy -0.111746 0.195516 -0.274153 -0.336399 -0.185681 0.020658 31O 1f0 0.000663 -0.013965 0.003092 0.016540 -0.001125 -0.004117 31O 1f+1 0.001347 -0.001588 0.003949 0.001256 -0.000609 -0.004040 31O 1f-1 0.001761 0.004451 -0.006603 0.007912 0.002001 -0.001523 31O 1f+2 -0.001192 -0.000369 -0.002793 -0.002113 -0.002911 0.000490 31O 1f-2 0.002564 0.015056 -0.002691 -0.013673 0.000098 0.009092 31O 1f+3 -0.004071 -0.000156 -0.001807 -0.000537 -0.001989 -0.003724 31O 1f-3 0.001237 0.003612 0.001328 -0.009797 -0.000644 -0.002535 32O 1s 0.000573 0.000249 0.000290 0.000364 -0.000269 0.000074 32O 2s 0.003413 0.001509 0.001107 0.001698 -0.000945 0.000476 32O 3s -0.055080 -0.028141 -0.010632 -0.021031 0.006311 -0.009264 32O 4s 0.246274 0.080612 0.025674 0.078065 -0.018341 0.033771 32O 5s -0.407409 0.089234 0.007035 -0.104259 0.019286 -0.016820 32O 1pz 0.003582 -0.002340 0.000159 -0.009253 -0.009195 -0.011198 32O 1px -0.055393 -0.015501 0.006715 -0.001537 0.000425 0.001339 32O 1py -0.045632 -0.042155 -0.005738 0.001319 -0.003827 0.000363 32O 2pz -0.015159 0.026278 -0.017097 0.046930 -0.011573 0.002790 32O 2px 0.005367 -0.019144 -0.017954 0.009603 -0.010795 -0.010992 32O 2py 0.065166 0.053464 0.017409 0.014093 0.003650 0.014018 32O 3pz 0.121182 0.012687 0.002671 0.135492 -0.005419 0.056298 32O 3px -0.209197 0.011055 0.018806 0.029758 0.071621 0.058460 32O 3py -0.054825 0.001956 -0.018936 0.002877 -0.025787 0.008577 32O 1dz2 -0.000651 -0.000972 0.000496 -0.002288 -0.000482 0.000136 32O 1dxz -0.001528 0.001798 -0.000891 0.003114 -0.001314 0.000197 32O 1dyz 0.001549 -0.000351 0.000187 0.002269 0.001052 0.000895 32O 1dx2y2 -0.001078 -0.001359 0.000157 0.002012 -0.000238 0.001051 32O 1dxy 0.000496 0.003495 0.000314 -0.000247 0.001417 0.001304 32O 2dz2 0.042005 0.031496 0.033905 0.015861 0.034437 0.035403 32O 2dxz -0.044750 -0.026796 -0.050346 -0.022034 -0.041858 -0.043019 32O 2dyz 0.002565 -0.031031 -0.040411 -0.025379 -0.047383 -0.026170 32O 2dx2y2 0.056691 0.065137 -0.024445 -0.051822 -0.039031 -0.073063 32O 2dxy -0.028243 0.043800 -0.014812 0.004209 0.012557 0.016042 32O 1f0 0.001922 0.003372 0.000760 0.002134 -0.000882 0.001383 32O 1f+1 -0.002137 -0.000675 -0.001178 0.001493 -0.000806 -0.001582 32O 1f-1 0.005441 0.005589 0.000042 0.003598 -0.001274 0.000453 32O 1f+2 -0.000366 -0.002745 0.000167 -0.003936 0.000582 -0.001270 32O 1f-2 0.005098 0.003518 0.001415 -0.001732 0.000521 0.000904 32O 1f+3 -0.002862 -0.001023 -0.000455 0.001498 -0.000751 0.000343 32O 1f-3 -0.002667 0.001951 -0.000590 0.000286 0.000326 0.000594 33O 1s 0.001251 0.006870 -0.003939 0.005568 -0.001092 0.001806 33O 2s 0.003800 0.013864 -0.012067 0.011388 -0.002329 0.003676 33O 3s -0.026864 0.089225 0.059388 0.066681 -0.020069 -0.000773 33O 4s 0.113183 -0.963213 0.006526 -0.768972 0.172719 -0.058301 33O 5s 0.037166 -1.137230 -0.865759 -0.931794 0.754972 0.670977 33O 1pz 0.050011 0.018410 -0.010028 0.019419 0.042764 0.023347 33O 1px 0.025532 0.036083 0.006481 0.034581 -0.004318 -0.058983 33O 1py -0.037799 0.024090 0.030073 0.021796 -0.018204 0.025398 33O 2pz 0.042685 -0.387408 -0.070930 -0.337883 0.091120 0.058121 33O 2px -0.024969 0.535751 0.082518 0.417983 -0.105847 0.065883 33O 2py 0.078536 -0.071981 -0.039477 0.007517 0.057157 0.018334 33O 3pz 0.081768 -0.676820 -0.010888 -0.175460 0.712125 0.517041 33O 3px -0.239760 0.575525 0.318621 0.460940 -0.341651 -0.537590 33O 3py 0.138191 -0.109012 0.057165 -0.253711 -0.078818 0.236146 33O 1dz2 -0.006824 0.000429 -0.001266 -0.007865 0.000071 -0.002325 33O 1dxz 0.000863 -0.004436 0.000311 -0.008246 -0.000659 0.001810 33O 1dyz 0.003308 -0.003984 -0.000132 -0.001199 -0.002594 -0.001087 33O 1dx2y2 0.002177 0.008500 0.004531 0.000964 -0.000481 0.005186 33O 1dxy 0.000998 -0.000476 0.002851 0.003014 0.006859 0.003184 33O 2dz2 -0.152037 0.101269 -0.045093 -0.030629 0.100622 -0.048562 33O 2dxz -0.060315 0.286592 0.057871 0.042614 -0.309127 -0.145099 33O 2dyz 0.078001 0.077409 -0.058647 0.132735 -0.119809 -0.081681 33O 2dx2y2 0.079844 -0.024382 0.087308 -0.210155 -0.094701 0.309057 33O 2dxy -0.022574 0.119555 -0.015401 0.207142 0.317835 -0.086404 33O 1f0 -0.006938 0.011591 0.000509 -0.000021 0.001051 -0.000700 33O 1f+1 0.000840 0.010866 0.004082 0.007921 0.002364 0.004889 33O 1f-1 0.001032 -0.009030 0.001287 -0.007793 0.000809 -0.002760 33O 1f+2 -0.003357 -0.012712 -0.003955 -0.015518 0.007093 -0.001731 33O 1f-2 -0.000487 0.006144 0.006659 0.001162 -0.000441 0.007143 33O 1f+3 0.002110 -0.012782 -0.001349 -0.008182 0.004876 0.000068 33O 1f-3 0.001155 0.000250 0.000916 -0.000127 -0.004725 0.003463 34O 1s -0.001226 0.005692 0.003991 -0.006913 -0.002851 0.001982 34O 2s 0.001738 0.011614 0.008047 -0.013990 -0.009094 0.003170 34O 3s -0.133171 0.068894 0.044420 -0.085934 0.051654 0.027144 34O 4s 0.667537 -0.791847 -0.411706 0.924038 -0.022961 -0.173674 34O 5s 2.672554 -0.929525 -1.330328 1.519762 -1.050114 -0.568061 34O 1pz 0.000932 0.022361 0.020843 -0.010644 0.022360 0.002810 34O 1px 0.040504 -0.016666 -0.018815 0.030447 -0.026179 0.011819 34O 1py -0.002639 -0.042299 0.031829 0.041762 -0.009237 -0.000761 34O 2pz 0.013546 0.080576 -0.008683 -0.013014 -0.006557 0.002648 34O 2px 0.618634 -0.512229 -0.373636 0.668456 -0.133860 -0.199693 34O 2py -0.154881 0.125842 0.055087 -0.113109 0.064915 0.011875 34O 3pz -0.012701 -0.238216 0.408254 0.003545 0.085889 -0.008313 34O 3px 1.600717 -0.609179 -0.588314 0.959387 -0.370700 0.054558 34O 3py -0.436371 -0.037472 0.279367 -0.230360 -0.199188 -0.347067 34O 1dz2 0.003494 0.004565 -0.004313 0.007805 -0.001082 -0.002598 34O 1dxz 0.002707 -0.003330 0.004314 0.005062 -0.002334 -0.008363 34O 1dyz -0.000651 -0.000646 -0.001135 -0.004643 -0.002709 0.000186 34O 1dx2y2 -0.001971 0.010594 0.003564 -0.004261 0.003389 0.000996 34O 1dxy 0.003490 -0.000755 0.003641 0.000585 0.002712 0.000306 34O 2dz2 -0.124458 0.179830 -0.075438 -0.048966 0.056008 0.030460 34O 2dxz 0.191188 -0.135519 0.345713 0.132207 -0.000363 -0.316920 34O 2dyz -0.068356 -0.183994 0.036268 0.101549 -0.022493 0.147991 34O 2dx2y2 0.357616 -0.154186 -0.015456 0.338398 -0.008353 0.057819 34O 2dxy -0.142855 -0.086090 0.356494 0.029966 0.082598 -0.078848 34O 1f0 0.000866 -0.001453 0.001234 -0.000269 -0.002888 0.001013 34O 1f+1 -0.017116 0.015564 0.013553 -0.014647 0.005264 0.005515 34O 1f-1 0.003928 -0.005992 -0.006551 -0.000667 -0.002614 -0.001360 34O 1f+2 -0.003129 0.007220 0.000102 -0.006657 -0.002607 -0.002862 34O 1f-2 -0.003003 0.002034 0.001528 -0.008524 0.001305 0.005279 34O 1f+3 -0.018335 0.006396 0.010899 -0.017109 0.002230 0.006857 34O 1f-3 0.011292 -0.004921 -0.007823 0.012330 -0.005006 -0.012766 35O 1s -0.002898 -0.006271 -0.002978 -0.007434 -0.002228 -0.000752 35O 2s -0.005601 -0.012334 -0.008343 -0.016211 -0.004251 0.000780 35O 3s -0.038882 -0.087250 0.037397 -0.060859 -0.027322 -0.054688 35O 4s 0.347385 0.900462 -0.014434 0.849499 0.232221 0.201518 35O 5s 1.056326 1.426029 -0.606106 1.050098 0.667357 1.499722 35O 1pz -0.018421 -0.037998 -0.014056 -0.033087 0.025905 -0.018872 35O 1px -0.002556 0.045234 -0.038226 0.035382 0.013533 0.032764 35O 1py -0.017806 -0.007862 0.017714 -0.023203 -0.013025 -0.000775 35O 2pz 0.035436 0.026015 -0.046297 0.052829 0.007530 0.031494 35O 2px 0.288134 0.596284 -0.038108 0.553645 0.177016 0.255443 35O 2py 0.091068 0.301834 -0.050648 0.190337 0.085505 0.140664 35O 3pz 0.012915 0.065871 -0.101245 -0.002225 0.164377 -0.307427 35O 3px 0.449171 0.749909 -0.456664 0.544433 0.434066 0.424502 35O 3py 0.544972 0.118620 -0.221963 0.324671 -0.190904 0.051314 35O 1dz2 0.003173 -0.000855 0.000442 0.010155 0.001028 0.000530 35O 1dxz 0.003222 0.000712 -0.000027 0.004377 0.004787 0.002908 35O 1dyz 0.000519 0.006701 0.000485 0.000356 0.000807 -0.001381 35O 1dx2y2 -0.003752 -0.009109 -0.001035 -0.002559 0.003161 -0.008210 35O 1dxy 0.001112 -0.004595 0.001150 -0.001726 -0.006479 -0.000390 35O 2dz2 0.069526 -0.294739 0.093501 -0.110333 -0.025274 -0.005732 35O 2dxz 0.090277 0.031317 -0.100358 0.093133 0.268289 -0.004531 35O 2dyz 0.009066 -0.064307 0.047364 -0.145080 0.202447 0.060363 35O 2dx2y2 -0.046017 0.113699 -0.195077 0.200356 0.293998 -0.127287 35O 2dxy 0.172146 0.074717 0.018543 0.050763 -0.316314 0.190129 35O 1f0 -0.005343 -0.005532 -0.000331 0.001359 0.001459 -0.005819 35O 1f+1 -0.005117 -0.014421 0.000227 -0.005420 -0.000899 -0.007203 35O 1f-1 -0.003126 -0.002350 0.000783 0.001340 -0.001850 -0.007718 35O 1f+2 0.001216 -0.006582 0.000735 0.002061 0.005068 0.000360 35O 1f-2 0.002707 0.008624 0.001072 0.007144 0.003533 0.007857 35O 1f+3 -0.005327 -0.004885 0.001101 -0.008610 -0.001426 -0.001564 35O 1f-3 -0.011605 -0.017626 0.000216 -0.019808 -0.011601 -0.011621 378 379 380 381 382 383 2.01611 2.03190 2.04223 2.05134 2.06967 2.07425 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s 0.001064 -0.003399 0.001046 0.004687 -0.001066 0.003104 0Rh 2s -0.005188 0.012939 -0.003667 -0.021183 0.004339 -0.014808 0Rh 3s 0.003091 -0.012095 0.003914 0.014646 -0.003622 0.009222 0Rh 4s 0.025836 -0.063861 0.018046 0.105582 -0.021560 0.073966 0Rh 5s -0.035739 0.062775 -0.014956 -0.136498 0.024169 -0.100653 0Rh 6s -0.017796 0.162202 -0.058643 -0.120094 0.041801 -0.064695 0Rh 7s 0.074110 -0.543597 0.183807 0.827870 -0.246050 0.423753 0Rh 8s 0.111031 -0.332077 0.129563 0.935216 -0.357253 0.533696 0Rh 1pz -0.003332 -0.005532 -0.001771 0.002055 0.001001 -0.013228 0Rh 1px 0.001787 0.014896 -0.007271 0.017201 -0.000106 0.002503 0Rh 1py -0.010061 0.000980 0.002344 0.000478 -0.007747 -0.002994 0Rh 2pz 0.011725 0.019262 0.005967 -0.006285 -0.003297 0.046306 0Rh 2px -0.006465 -0.052220 0.025360 -0.061499 0.001049 -0.009167 0Rh 2py 0.035198 -0.003493 -0.008111 -0.001891 0.027195 0.010081 0Rh 3pz -0.008682 -0.009495 0.000735 -0.015092 -0.001404 -0.025983 0Rh 3px 0.008440 0.032860 -0.013293 0.063535 -0.014644 0.014364 0Rh 3py -0.022251 0.002629 0.002977 0.006301 -0.016219 0.001823 0Rh 4pz -0.039584 -0.087927 -0.038283 0.101347 0.021571 -0.206191 0Rh 4px 0.007435 0.212249 -0.112982 0.146390 0.051328 -0.000783 0Rh 4py -0.131355 0.017441 0.040070 -0.016726 -0.121176 -0.069904 0Rh 5pz 0.060275 0.162024 0.054902 -0.169814 -0.024915 0.373099 0Rh 5px -0.010338 -0.402787 0.207826 -0.263195 -0.083332 0.004947 0Rh 5py 0.197747 -0.049789 -0.063877 0.037571 0.231453 0.110890 0Rh 6pz 0.174045 -0.308047 -0.437185 0.373298 0.226669 -0.229992 0Rh 6px 0.056237 0.555840 -0.331902 0.619793 0.097082 0.154031 0Rh 6py -0.117142 -0.083038 -0.238715 -0.024231 -0.356034 -0.033063 0Rh 1dz2 0.002116 0.005133 0.005861 -0.003932 0.002928 -0.007882 0Rh 1dxz -0.002160 0.000424 -0.006192 -0.012687 0.002120 0.004789 0Rh 1dyz 0.001978 0.006001 0.005106 -0.001779 -0.004057 -0.000596 0Rh 1dx2y2 0.000472 -0.004225 -0.000787 0.007462 0.003096 0.011522 0Rh 1dxy -0.006483 -0.009436 0.008162 0.004701 0.006898 0.009096 0Rh 2dz2 -0.000531 0.001757 0.001202 -0.001452 -0.000627 -0.000991 0Rh 2dxz 0.000312 0.002379 0.000260 -0.001591 -0.000086 -0.001489 0Rh 2dyz -0.000057 0.000448 0.001247 -0.001174 -0.002477 -0.001238 0Rh 2dx2y2 0.001093 -0.002675 0.002561 0.003094 -0.002809 0.000002 0Rh 2dxy 0.001466 -0.000075 -0.000124 0.000381 -0.003357 0.000615 0Rh 3dz2 -0.003036 -0.021010 -0.020113 0.016741 -0.004826 0.025017 0Rh 3dxz 0.004323 -0.011752 0.014916 0.040152 -0.005374 -0.005838 0Rh 3dyz -0.004787 -0.017372 -0.018433 0.009858 0.021722 0.007275 0Rh 3dx2y2 -0.006093 0.022927 -0.009212 -0.033227 0.004594 -0.030128 0Rh 3dxy 0.010177 0.024731 -0.020509 -0.013991 -0.003128 -0.026211 0Rh 4dz2 -0.008974 0.025578 0.009014 -0.022116 -0.009765 -0.016532 0Rh 4dxz 0.003345 0.038833 0.004034 -0.025614 0.001792 -0.022016 0Rh 4dyz -0.002895 0.002985 0.009432 -0.017877 -0.038908 -0.022370 0Rh 4dx2y2 0.015656 -0.044459 0.036937 0.047138 -0.044765 0.001350 0Rh 4dxy 0.022749 -0.001294 -0.005034 0.007078 -0.047995 0.004497 0Rh 5dz2 0.039125 -0.097870 0.075147 0.072959 0.032117 0.073521 0Rh 5dxz -0.015960 -0.198227 -0.016288 0.102751 -0.016991 0.068298 0Rh 5dyz 0.043313 0.042916 0.126664 0.067767 0.146813 0.130883 0Rh 5dx2y2 -0.036943 0.240173 -0.139726 -0.165365 0.190010 0.011630 0Rh 5dxy -0.070645 0.039063 0.075956 -0.031123 0.162246 0.033728 0Rh 1f0 -0.011843 0.010775 -0.052822 -0.048431 -0.034981 0.041763 0Rh 1f+1 -0.009137 -0.025242 0.006910 -0.009976 0.123752 0.086121 0Rh 1f-1 -0.087190 -0.051525 -0.020256 0.026459 -0.020532 0.025716 0Rh 1f+2 -0.035781 -0.083021 0.063768 -0.051676 -0.112426 -0.002300 0Rh 1f-2 -0.072549 -0.048222 0.064755 0.050566 0.042717 -0.055057 0Rh 1f+3 0.006184 -0.071840 0.003895 0.023489 -0.093677 0.062398 0Rh 1f-3 -0.091930 -0.059217 -0.027991 0.063407 0.057844 -0.074557 1Rh 1s 0.001078 -0.003298 0.000959 -0.004803 0.000905 -0.002897 1Rh 2s -0.005253 0.012492 -0.003294 0.021613 -0.003623 0.013906 1Rh 3s 0.003134 -0.011771 0.003629 -0.015066 0.003116 -0.008555 1Rh 4s 0.026157 -0.061637 0.016187 -0.107703 0.018006 -0.069487 1Rh 5s -0.036146 0.060012 -0.012652 0.138440 -0.019853 0.095321 1Rh 6s -0.018235 0.159175 -0.056201 0.126254 -0.036203 0.057265 1Rh 7s 0.077866 -0.521816 0.169321 -0.847459 0.223708 -0.394239 1Rh 8s 0.113548 -0.318343 0.105868 -0.941017 0.369992 -0.543834 1Rh 1pz 0.002832 0.005461 0.001794 0.002149 0.000741 -0.013485 1Rh 1px -0.001949 -0.015191 0.007698 0.016571 -0.000046 0.002222 1Rh 1py 0.009974 -0.000950 -0.001967 0.000619 -0.007634 -0.002770 1Rh 2pz -0.010016 -0.019038 -0.006036 -0.006615 -0.002364 0.047214 1Rh 2px 0.007021 0.053273 -0.026898 -0.059297 0.000801 -0.008125 1Rh 2py -0.034900 0.003395 0.006815 -0.002391 0.026778 0.009326 1Rh 3pz 0.008484 0.009865 -0.000985 -0.014913 -0.002418 -0.026763 1Rh 3px -0.008580 -0.033879 0.015086 0.062335 -0.013720 0.012518 1Rh 3py 0.022223 -0.002745 -0.002693 0.006725 -0.015558 0.001652 1Rh 4pz 0.029461 0.085061 0.040058 0.102974 0.019580 -0.208473 1Rh 4px -0.010438 -0.214982 0.115932 0.136662 0.049072 0.000240 1Rh 4py 0.129641 -0.016184 -0.032884 -0.015354 -0.121286 -0.064052 1Rh 5pz -0.043398 -0.157166 -0.058697 -0.173542 -0.022193 0.375976 1Rh 5px 0.015352 0.407298 -0.213604 -0.244652 -0.077696 0.000260 1Rh 5py -0.195098 0.047172 0.051681 0.036014 0.232428 0.099582 1Rh 6pz -0.207733 0.289359 0.447133 0.367690 0.267664 -0.296563 1Rh 6px -0.066985 -0.558138 0.352278 0.587922 0.075485 0.182576 1Rh 6py 0.115875 0.093075 0.270360 -0.029515 -0.353107 -0.046142 1Rh 1dz2 0.001969 0.004971 0.006067 0.003772 -0.002851 0.009085 1Rh 1dxz -0.002523 0.000241 -0.005814 0.012887 -0.002320 -0.004296 1Rh 1dyz 0.002053 0.005929 0.005044 0.001672 0.004649 0.005599 1Rh 1dx2y2 0.000242 -0.004052 -0.000891 -0.007482 -0.002621 -0.011298 1Rh 1dxy -0.006566 -0.009322 0.008227 -0.005010 -0.006457 -0.007810 1Rh 2dz2 -0.000419 0.001747 0.001198 0.001493 0.000584 -0.000808 1Rh 2dxz 0.000316 0.002342 0.000240 0.001646 0.000134 0.001444 1Rh 2dyz 0.000043 0.000444 0.001190 0.001201 0.002360 -0.002063 1Rh 2dx2y2 0.001144 -0.002613 0.002437 -0.003220 0.002552 -0.000473 1Rh 2dxy 0.001508 -0.000069 -0.000149 -0.000395 0.003182 -0.001776 1Rh 3dz2 -0.003159 -0.020548 -0.020626 -0.016524 0.004814 -0.020005 1Rh 3dxz 0.005246 -0.011113 0.014017 -0.040924 0.005663 0.004771 1Rh 3dyz -0.005428 -0.017171 -0.018021 -0.009713 -0.022695 -0.005083 1Rh 3dx2y2 -0.005725 0.022209 -0.008392 0.033844 -0.004669 0.031667 1Rh 3dxy 0.010202 0.024404 -0.020564 0.014854 0.002778 0.028225 1Rh 4dz2 -0.007219 0.025462 0.008877 0.023043 0.008996 -0.013109 1Rh 4dxz 0.003361 0.038242 0.003926 0.026510 -0.000743 0.021123 1Rh 4dyz -0.001329 0.002983 0.008579 0.018552 0.036182 -0.037052 1Rh 4dx2y2 0.016411 -0.043558 0.035097 -0.049177 0.040638 -0.009036 1Rh 4dxy 0.023440 -0.001115 -0.005412 -0.007204 0.044967 -0.025564 1Rh 5dz2 0.031408 -0.098361 0.076117 -0.080237 -0.025508 0.077797 1Rh 5dxz -0.015110 -0.195839 -0.017526 -0.107498 0.010906 -0.066234 1Rh 5dyz 0.036732 0.042004 0.129871 -0.074537 -0.124173 0.213787 1Rh 5dx2y2 -0.039476 0.237491 -0.132596 0.175566 -0.172055 0.030275 1Rh 5dxy -0.073732 0.037514 0.076711 0.030975 -0.145438 0.090928 1Rh 1f0 0.011722 -0.012022 0.051167 -0.050407 -0.033128 0.022951 1Rh 1f+1 0.010913 0.022859 -0.013176 -0.009927 0.122647 0.078806 1Rh 1f-1 0.083896 0.051970 0.021133 0.027118 -0.019052 0.039406 1Rh 1f+2 0.039196 0.084029 -0.064256 -0.047974 -0.116178 0.029581 1Rh 1f-2 0.073429 0.048774 -0.062212 0.054716 0.041648 -0.074017 1Rh 1f+3 -0.008156 0.071794 -0.004064 0.023386 -0.104502 0.049824 1Rh 1f-3 0.089304 0.056675 0.032455 0.067009 0.059186 -0.071769 2C 1s 0.002336 -0.005001 0.002927 -0.002615 -0.006873 -0.005037 2C 2s 0.007065 -0.015921 0.008068 -0.010276 -0.026110 -0.017741 2C 3s -0.071986 0.012863 0.018368 0.075825 0.216157 0.134290 2C 4s 0.157986 0.523346 -0.458689 0.018783 -0.199397 -0.089085 2C 5s -0.323883 0.843815 0.424586 1.012862 -0.916676 -0.291757 2C 1pz -0.023572 0.099175 -0.064665 0.080432 0.049215 0.132796 2C 1px 0.076435 -0.027354 -0.145599 -0.170489 0.137655 0.074351 2C 1py -0.124301 0.082919 0.057326 0.038066 0.118293 -0.048088 2C 2pz 0.063573 0.157116 -0.151279 -0.044007 -0.081075 -0.247439 2C 2px -0.170226 0.233923 0.319896 0.254996 -0.365618 -0.241649 2C 2py 0.241472 0.046081 -0.375980 -0.056751 -0.251898 0.120064 2C 3pz 0.022508 0.278973 -0.068181 0.205731 -0.215336 0.084732 2C 3px 0.031810 -0.020174 0.052695 -0.067557 -0.107364 0.054067 2C 3py -0.185104 0.240533 0.065276 0.199513 0.022517 -0.146473 2C 1dz2 -0.001445 -0.028425 0.013808 -0.022155 -0.017990 -0.018641 2C 1dxz -0.015270 -0.024830 -0.035217 0.013998 0.006055 0.025030 2C 1dyz 0.017057 -0.040241 0.020423 -0.015690 -0.034698 -0.029675 2C 1dx2y2 -0.022342 0.015160 0.014640 0.008058 -0.017306 -0.008187 2C 1dxy 0.008455 -0.014093 -0.004126 0.009228 0.000961 0.009694 2C 2dz2 -0.002584 0.146378 -0.037551 0.070935 0.093823 -0.039549 2C 2dxz 0.002130 0.181926 0.217142 0.088554 -0.143362 -0.222975 2C 2dyz 0.029959 0.210645 -0.251559 -0.039872 0.075459 0.104603 2C 2dx2y2 -0.024549 -0.037192 0.040582 -0.054217 0.074605 -0.046989 2C 2dxy -0.006752 0.131297 0.038308 0.015202 -0.096271 -0.028861 2C 1f0 -0.032889 0.023653 0.022664 0.019450 -0.007228 -0.015009 2C 1f+1 0.004127 0.006886 0.016064 -0.008654 -0.018877 -0.008940 2C 1f-1 -0.000267 0.020568 -0.034974 0.014466 0.035090 0.023051 2C 1f+2 0.007122 -0.055508 -0.015188 -0.016194 -0.008460 -0.008712 2C 1f-2 -0.015966 0.041574 -0.032831 0.015969 0.063135 0.034096 2C 1f+3 -0.004305 -0.050766 -0.010487 -0.024164 -0.045947 -0.033832 2C 1f-3 -0.006912 0.004137 0.039176 -0.007246 -0.048006 -0.027034 3C 1s 0.002614 -0.005495 0.000393 0.001620 0.002899 -0.007745 3C 2s 0.007830 -0.017113 0.002387 0.005719 0.010481 -0.028339 3C 3s -0.073255 0.020809 -0.005410 -0.041827 -0.079506 0.247879 3C 4s 0.147582 0.544394 -0.026791 0.036933 0.081825 -0.298335 3C 5s -0.774278 0.360976 -0.624236 1.209615 1.191970 -0.807372 3C 1pz -0.187885 0.023193 -0.116835 0.091713 0.107876 0.005958 3C 1px -0.002279 0.064306 0.050594 -0.153842 0.000372 -0.006426 3C 1py -0.022608 -0.126622 -0.025178 0.037993 0.120156 -0.195170 3C 2pz 0.454908 0.193110 0.363970 -0.179913 -0.253427 0.085928 3C 2px -0.108666 -0.033449 -0.158705 0.218975 0.090521 -0.061677 3C 2py 0.083126 -0.132830 0.104480 -0.154863 -0.313051 0.427916 3C 3pz -0.229415 0.206517 -0.128950 0.180841 0.293366 -0.026786 3C 3px -0.092343 0.007825 -0.081578 0.070383 0.152730 -0.148074 3C 3py 0.041063 -0.204345 0.090835 -0.196369 -0.099076 0.125965 3C 1dz2 -0.002499 0.010654 -0.001541 -0.010079 0.008239 0.010578 3C 1dxz 0.036103 -0.007970 0.012173 0.010077 -0.030406 0.008526 3C 1dyz -0.009381 0.044459 0.006395 -0.004507 -0.027651 0.044134 3C 1dx2y2 0.005630 0.016413 -0.033090 0.020627 0.002533 0.009472 3C 1dxy -0.022540 0.015555 -0.014928 -0.014497 0.014992 -0.009702 3C 2dz2 0.118460 -0.031007 0.141005 -0.058036 -0.124225 0.073152 3C 2dxz -0.046377 0.040609 -0.005622 0.045733 0.006212 0.021033 3C 2dyz -0.112846 -0.275027 -0.094692 0.125386 0.168922 -0.130375 3C 2dx2y2 0.012300 -0.106062 0.127617 -0.105350 -0.132423 0.080324 3C 2dxy 0.114332 -0.057875 0.128669 -0.027947 -0.141446 0.105038 3C 1f0 -0.003843 -0.002595 -0.045854 0.012825 0.000421 -0.012506 3C 1f+1 -0.029229 -0.006627 -0.039188 0.009716 0.026257 -0.021248 3C 1f-1 -0.017940 0.022584 -0.003262 -0.024648 -0.002427 0.040612 3C 1f+2 0.013900 -0.067755 0.015178 0.008266 0.030077 -0.072004 3C 1f-2 0.017166 -0.036016 0.035645 0.008973 -0.005805 -0.017715 3C 1f+3 0.008254 0.005502 -0.004176 0.005468 -0.017489 -0.006754 3C 1f-3 0.031251 0.017702 0.025908 -0.012640 -0.037018 0.029156 4C 1s 0.000885 -0.007701 -0.006474 0.000273 0.011933 0.004216 4C 2s 0.001318 -0.025234 -0.019492 0.002833 0.040211 0.014496 4C 3s 0.011270 0.196611 -0.224052 -0.277559 -0.166922 0.173738 4C 4s -0.067659 -0.414796 2.113874 1.375007 -0.835742 -1.594361 4C 5s 0.180517 -0.340889 0.371258 -0.109142 -0.519899 -0.577246 4C 1pz -0.000663 -0.058185 0.120514 -0.070343 -0.069991 -0.060578 4C 1px -0.112911 -0.048104 0.044454 0.081013 -0.142196 0.007927 4C 1py 0.120095 -0.078237 0.014652 -0.037386 -0.107695 0.034879 4C 2pz 0.067012 0.504791 0.178373 1.021722 -0.414140 -0.144295 4C 2px 0.844527 0.331510 -0.463943 -1.887361 0.647985 -0.611992 4C 2py -0.391657 0.503578 0.157999 0.002137 0.067964 -0.554724 4C 3pz -0.115344 0.144970 0.631148 0.790478 -1.371014 -0.600136 4C 3px 0.137805 -0.030775 -0.302977 -0.549027 0.038191 -0.367294 4C 3py 0.149294 0.024771 0.206812 0.099909 -0.998902 -0.239157 4C 1dz2 0.005294 -0.028748 -0.016761 -0.027375 -0.015467 -0.012052 4C 1dxz 0.008651 -0.006294 0.012230 0.017672 -0.001487 -0.004187 4C 1dyz 0.007411 -0.034647 0.000449 -0.004543 -0.016278 -0.021004 4C 1dx2y2 -0.017738 0.007396 -0.010658 0.006515 0.001037 0.004087 4C 1dxy 0.012504 -0.005918 0.004541 0.014475 0.013455 0.007261 4C 2dz2 -0.026032 -0.238389 0.207111 0.256414 -0.008451 0.034136 4C 2dxz 0.334283 0.134079 0.100627 -0.705239 0.018441 -0.219239 4C 2dyz -0.055922 -0.219872 0.209970 -0.004695 -0.191007 -0.016684 4C 2dx2y2 0.200135 0.167192 0.164846 0.279997 -0.114592 -0.252950 4C 2dxy 0.024184 0.152328 0.335947 -0.292724 -0.007945 -0.532678 4C 1f0 -0.036119 -0.004277 -0.006429 -0.015512 0.005901 -0.004723 4C 1f+1 -0.022352 -0.002478 -0.029742 -0.001591 0.010966 0.010684 4C 1f-1 0.000672 -0.006772 0.018550 -0.004702 -0.017217 0.000623 4C 1f+2 -0.050327 0.006661 0.044538 0.057876 0.002646 -0.023346 4C 1f-2 -0.017439 0.004965 0.002160 -0.012833 -0.009166 0.004438 4C 1f+3 0.026504 -0.013145 0.001417 0.029573 -0.012484 0.019309 4C 1f-3 -0.007467 -0.004300 -0.017860 0.016872 0.012747 0.035997 5C 1s 0.002871 -0.001332 0.009627 -0.003084 -0.004867 0.008540 5C 2s 0.007026 -0.005226 0.030838 -0.009315 -0.014850 0.028975 5C 3s 0.088785 0.255851 0.004796 -0.216216 -0.192031 -0.081677 5C 4s -0.688392 -1.485872 -1.115593 1.634377 1.720362 -0.874664 5C 5s 0.151217 -0.474143 -0.160320 0.328053 0.425087 -0.780803 5C 1pz 0.137815 -0.081297 0.017114 -0.055104 -0.063465 -0.058096 5C 1px 0.083890 0.020179 -0.058339 0.102754 0.065263 0.006819 5C 1py 0.049851 0.126552 0.036743 -0.013118 -0.045958 0.126657 5C 2pz -0.622765 0.303193 -0.335429 0.932752 0.460325 0.172202 5C 2px -0.434794 -0.293797 0.049578 -1.689960 0.276036 -1.063958 5C 2py -0.133733 -0.355905 0.465758 -0.691283 -0.327724 0.040068 5C 3pz -0.098567 -0.197067 -0.195282 0.848133 0.460623 -0.870206 5C 3px 0.034058 -0.003503 -0.036313 -0.245031 0.464246 -0.908988 5C 3py 0.398138 0.246696 0.370433 -1.207437 -1.270287 1.394436 5C 1dz2 -0.002254 0.005792 -0.022074 -0.016844 0.010068 0.000516 5C 1dxz 0.018047 -0.016291 -0.000118 0.008320 -0.025714 0.001307 5C 1dyz -0.014552 0.019520 -0.010050 0.005612 -0.008837 0.015616 5C 1dx2y2 -0.022182 0.014128 -0.004433 0.008591 -0.012388 0.021758 5C 1dxy 0.002203 0.019579 -0.023617 -0.013676 0.008207 -0.008080 5C 2dz2 0.177022 0.248088 0.354625 -0.059788 -0.495699 0.428734 5C 2dxz -0.230676 -0.123288 0.109688 -0.499337 -0.021418 -0.173882 5C 2dyz 0.008717 0.157899 0.007536 -0.353549 -0.018571 -0.076647 5C 2dx2y2 -0.268133 0.023482 0.027538 -0.156404 0.207320 -0.139757 5C 2dxy 0.183869 0.342323 0.007990 0.516021 -0.011696 0.378966 5C 1f0 -0.013765 0.019414 0.008760 -0.028348 0.011879 0.006694 5C 1f+1 0.002181 0.012630 0.019864 0.011872 -0.038496 0.036308 5C 1f-1 -0.061689 0.003347 0.002845 -0.000175 0.015370 0.003130 5C 1f+2 0.018412 0.004891 0.009051 0.022078 -0.014604 0.025254 5C 1f-2 -0.035561 -0.005203 -0.012007 0.037288 0.015388 0.014883 5C 1f+3 -0.007434 0.009603 0.014379 0.014466 -0.011874 0.009603 5C 1f-3 0.004006 -0.013692 -0.031606 0.020185 0.001708 0.002839 6C 1s 0.002878 -0.001605 0.009869 0.002780 0.005125 -0.009257 6C 2s 0.007101 -0.006072 0.031676 0.008278 0.015780 -0.031506 6C 3s 0.076410 0.252681 -0.004683 0.226287 0.208491 0.112560 6C 4s -0.622233 -1.435457 -1.102235 -1.660978 -1.867981 0.744785 6C 5s 0.171269 -0.464329 -0.150780 -0.334099 -0.533748 0.418749 6C 1pz -0.136966 0.082016 -0.016490 -0.054025 -0.055917 -0.017666 6C 1px -0.080233 -0.020279 0.061297 0.098356 0.063244 0.011225 6C 1py -0.050751 -0.124070 -0.039098 -0.014576 -0.053636 0.086379 6C 2pz 0.612640 -0.324131 0.349784 0.924247 0.447255 0.016153 6C 2px 0.415816 0.307787 -0.106145 -1.671933 0.306538 -1.088184 6C 2py 0.151856 0.374886 -0.469630 -0.673326 -0.320965 0.205784 6C 3pz 0.081834 0.174489 0.222987 0.848930 0.483632 -0.369093 6C 3px -0.044722 -0.001375 0.023719 -0.246641 0.491366 -0.622228 6C 3py -0.374389 -0.207479 -0.396111 -1.206257 -1.309674 0.617929 6C 1dz2 -0.003380 0.005701 -0.021197 0.017516 -0.009606 0.005229 6C 1dxz 0.018478 -0.016116 -0.000865 -0.008421 0.024200 -0.003195 6C 1dyz -0.014152 0.019756 -0.010260 -0.005035 0.008531 -0.014822 6C 1dx2y2 -0.021953 0.014515 -0.004647 -0.008626 0.014991 -0.015121 6C 1dxy 0.002377 0.019420 -0.023198 0.014868 -0.007067 0.014291 6C 2dz2 0.164578 0.236279 0.345260 0.058559 0.496014 -0.441000 6C 2dxz -0.244049 -0.135244 0.114780 0.489509 0.016750 0.105853 6C 2dyz 0.008723 0.155376 0.014348 0.356818 0.042409 0.200843 6C 2dx2y2 -0.261479 0.025184 0.038301 0.147530 -0.220927 0.239099 6C 2dxy 0.182295 0.348916 -0.002249 -0.506540 0.024215 -0.263350 6C 1f0 0.013989 -0.018506 -0.009931 -0.028152 0.010170 -0.005070 6C 1f+1 -0.002203 -0.012181 -0.018918 0.012126 -0.040603 0.032671 6C 1f-1 0.061849 -0.003428 -0.003173 0.000437 0.014927 -0.003873 6C 1f+2 -0.019280 -0.005341 -0.008779 0.022197 -0.014130 0.021794 6C 1f-2 0.035122 0.004418 0.012273 0.037962 0.017456 0.011503 6C 1f+3 0.008233 -0.009644 -0.013062 0.014748 -0.014083 0.011025 6C 1f-3 -0.004631 0.013112 0.031248 0.019650 0.003850 0.003616 7C 1s 0.001008 -0.007716 -0.006033 -0.000192 -0.012378 -0.003075 7C 2s 0.001832 -0.025248 -0.018147 -0.002636 -0.041532 -0.010844 7C 3s -0.011667 0.195366 -0.214648 0.291226 0.174872 -0.238214 7C 4s 0.038596 -0.411917 2.007511 -1.472129 0.833912 1.908433 7C 5s 0.206994 -0.340675 0.358548 0.073431 0.488478 1.133684 7C 1pz 0.004985 0.059958 -0.119094 -0.064148 -0.073354 -0.102259 7C 1px 0.109425 0.047016 -0.038687 0.082979 -0.142758 -0.006590 7C 1py -0.118144 0.078172 -0.015452 -0.035415 -0.114249 -0.003987 7C 2pz -0.093163 -0.517453 -0.127949 1.010472 -0.411705 0.054983 7C 2px -0.824163 -0.300206 0.410561 -1.905200 0.666761 -0.595270 7C 2py 0.381588 -0.500573 -0.140129 0.000429 0.087561 -0.418927 7C 3pz 0.090652 -0.142078 -0.548397 0.807324 -1.441942 -1.308111 7C 3px -0.138479 0.038128 0.300114 -0.559623 0.055575 -0.536409 7C 3py -0.159491 -0.019476 -0.165855 0.108143 -1.044877 -0.756055 7C 1dz2 0.004796 -0.028818 -0.016285 0.027154 0.015490 0.023865 7C 1dxz 0.008218 -0.005947 0.011977 -0.018512 0.001960 0.008966 7C 1dyz 0.007962 -0.034861 0.000590 0.003789 0.014518 0.027153 7C 1dx2y2 -0.017657 0.007527 -0.011260 -0.006198 -0.000441 -0.007180 7C 1dxy 0.011769 -0.005923 0.004932 -0.014544 -0.012860 -0.008567 7C 2dz2 -0.024778 -0.234722 0.192197 -0.264032 0.002434 0.055799 7C 2dxz 0.320468 0.119718 0.117415 0.707596 0.001710 0.209737 7C 2dyz -0.049555 -0.220830 0.214990 -0.010729 0.211945 0.204049 7C 2dx2y2 0.215818 0.167811 0.136720 -0.277627 0.106561 0.155712 7C 2dxy 0.030202 0.146758 0.331861 0.279402 0.013091 0.510328 7C 1f0 0.036452 0.004559 0.006109 -0.015568 0.006970 -0.002988 7C 1f+1 0.023374 0.002528 0.029276 -0.002382 0.012074 0.015410 7C 1f-1 0.001291 0.006985 -0.018382 -0.003955 -0.018849 -0.006603 7C 1f+2 0.048678 -0.007576 -0.042681 0.059838 0.003572 -0.023150 7C 1f-2 0.018218 -0.004805 -0.002800 -0.012898 -0.009086 0.002499 7C 1f+3 -0.026075 0.012593 -0.000660 0.029582 -0.014086 0.016169 7C 1f-3 0.008112 0.004277 0.016813 0.015797 0.013065 0.043425 8C 1s 0.002594 -0.005416 0.000342 -0.001703 -0.003391 0.003809 8C 2s 0.007758 -0.016864 0.002105 -0.006020 -0.012036 0.015013 8C 3s -0.072592 0.017726 -0.002995 0.041173 0.084757 -0.168896 8C 4s 0.148778 0.553639 -0.027021 -0.022763 -0.057035 0.362723 8C 5s -0.742967 0.401435 -0.650583 -1.194612 -1.163312 0.492296 8C 1pz 0.184390 -0.028062 0.116925 0.089368 0.098650 -0.040249 8C 1px 0.001088 -0.060881 -0.055480 -0.154176 -0.001373 -0.031588 8C 1py 0.020847 0.123382 0.025301 0.039244 0.124389 -0.147735 8C 2pz -0.446049 -0.182372 -0.364201 -0.176466 -0.238570 0.121026 8C 2px 0.112950 0.025603 0.166693 0.217717 0.083361 -0.070966 8C 2py -0.072586 0.145018 -0.106234 -0.148642 -0.293218 0.497205 8C 3pz 0.222735 -0.215288 0.128099 0.174840 0.282169 -0.082932 8C 3px 0.091169 -0.008795 0.085153 0.069246 0.147553 -0.090412 8C 3py -0.037489 0.212089 -0.097087 -0.190103 -0.085695 0.058379 8C 1dz2 -0.002447 0.010479 -0.000924 0.010357 -0.007237 -0.008893 8C 1dxz 0.037081 -0.007908 0.011548 -0.010036 0.029569 -0.013011 8C 1dyz -0.009503 0.044148 0.006660 0.005016 0.029832 -0.031003 8C 1dx2y2 0.006710 0.017511 -0.032890 -0.018975 -0.000795 -0.001822 8C 1dxy -0.022290 0.015544 -0.014784 0.014929 -0.013483 0.017801 8C 2dz2 0.114435 -0.035712 0.140358 0.053028 0.111509 -0.123511 8C 2dxz -0.048352 0.041484 -0.007636 -0.046321 -0.005417 -0.015862 8C 2dyz -0.110094 -0.271175 -0.096780 -0.130261 -0.175834 0.067181 8C 2dx2y2 0.006373 -0.112591 0.125247 0.097851 0.120019 -0.127019 8C 2dxy 0.113290 -0.061933 0.128692 0.026151 0.133491 -0.147800 8C 1f0 0.003160 0.001357 0.046311 0.011080 -0.000757 -0.013507 8C 1f+1 0.029140 0.006807 0.038566 0.009087 0.025524 -0.023185 8C 1f-1 0.019409 -0.021884 0.001528 -0.024851 -0.003395 0.030885 8C 1f+2 -0.013540 0.067425 -0.014152 0.009855 0.034499 -0.041700 8C 1f-2 -0.017245 0.036950 -0.034923 0.011043 -0.002092 -0.000342 8C 1f+3 -0.009406 -0.005404 0.004743 0.005079 -0.017703 -0.012067 8C 1f-3 -0.032175 -0.016777 -0.026894 -0.012506 -0.036597 0.027008 9C 1s 0.002279 -0.005057 0.002816 0.002382 0.006965 0.009610 9C 2s 0.006795 -0.016169 0.007697 0.009568 0.026382 0.033154 9C 3s -0.066129 0.014358 0.022401 -0.076198 -0.216473 -0.216205 9C 4s 0.139411 0.526074 -0.469875 0.011296 0.184337 -0.020858 9C 5s -0.287167 0.842599 0.335972 -0.997786 1.004054 0.409084 9C 1pz 0.020640 -0.101369 0.061502 0.076566 0.043942 0.190467 9C 1px -0.075549 0.029640 0.136546 -0.173935 0.143585 0.062272 9C 1py 0.122848 -0.082926 -0.051847 0.037362 0.125283 0.007901 9C 2pz -0.053958 -0.152006 0.166560 -0.057822 -0.053200 -0.179795 9C 2px 0.168926 -0.236112 -0.298964 0.257161 -0.381585 -0.135389 9C 2py -0.235427 -0.050481 0.364670 -0.068341 -0.261204 0.103109 9C 3pz -0.027046 -0.280818 0.085415 0.194335 -0.231772 0.104080 9C 3px -0.029551 0.023934 -0.052311 -0.064987 -0.121684 -0.027811 9C 3py 0.181886 -0.239207 -0.049275 0.193847 0.012501 -0.114224 9C 1dz2 -0.001437 -0.028509 0.014834 0.020648 0.017612 0.029440 9C 1dxz -0.015513 -0.024174 -0.034136 -0.013972 -0.008536 -0.014681 9C 1dyz 0.016987 -0.040907 0.019883 0.014058 0.035052 0.047535 9C 1dx2y2 -0.021842 0.015489 0.013622 -0.008470 0.017992 0.003155 9C 1dxy 0.007644 -0.013800 -0.004094 -0.009236 -0.001405 -0.004687 9C 2dz2 -0.004532 0.144097 -0.047061 -0.061543 -0.106561 -0.033509 9C 2dxz 0.003437 0.180583 0.204469 -0.091026 0.153969 0.146455 9C 2dyz 0.024908 0.213307 -0.246428 0.052498 -0.079634 -0.181989 9C 2dx2y2 -0.024193 -0.040142 0.040280 0.052546 -0.082467 0.047895 9C 2dxy -0.006489 0.130777 0.035712 -0.010774 0.102336 -0.025177 9C 1f0 0.031888 -0.024274 -0.022196 0.020145 -0.008640 -0.003771 9C 1f+1 -0.003512 -0.007131 -0.015772 -0.008473 -0.020201 -0.007358 9C 1f-1 0.000404 -0.020452 0.033689 0.012456 0.036357 0.039585 9C 1f+2 -0.007066 0.057208 0.012923 -0.015732 -0.007938 -0.038117 9C 1f-2 0.015636 -0.041415 0.031818 0.013725 0.063678 0.054783 9C 1f+3 0.003931 0.050701 0.010708 -0.022044 -0.042326 -0.057746 9C 1f-3 0.007027 -0.001590 -0.037651 -0.007153 -0.052713 -0.030911 10H 1s -0.026229 0.128757 0.079970 -0.015842 0.006842 -0.026437 10H 2s 0.168164 -0.318505 -0.104578 -0.083827 -0.060333 -0.061843 10H 3s -0.028739 0.119901 0.000435 0.039175 0.029981 -0.005810 10H 1pz 0.053401 0.029531 -0.102964 -0.061220 0.057749 0.069749 10H 1px 0.032169 0.026500 -0.112933 -0.104693 0.086513 0.064625 10H 1py -0.018885 0.025279 -0.008984 -0.070402 0.080082 -0.040532 11H 1s -0.066011 0.073331 -0.077708 0.079098 0.140652 0.086315 11H 2s 0.024645 -0.168195 0.179849 -0.151733 -0.293763 -0.182801 11H 3s 0.095731 -0.089586 -0.189065 -0.124963 0.029602 0.191876 11H 1pz -0.116450 0.128152 0.107154 0.135185 -0.057391 -0.068378 11H 1px 0.027422 -0.013721 -0.094828 -0.127837 0.078322 0.025930 11H 1py -0.083224 0.112567 0.070589 0.055963 0.072491 -0.108917 12H 1s 0.043048 0.089967 -0.035915 0.073839 0.147376 0.117175 12H 2s -0.008988 -0.243255 0.024626 -0.143350 -0.332679 -0.192369 12H 3s 0.017937 0.003268 -0.051180 -0.094090 0.228962 0.028363 12H 1pz 0.063559 0.115274 -0.052994 0.066094 -0.056973 0.099317 12H 1px 0.047567 -0.015083 -0.159382 -0.142138 0.097233 0.067460 12H 1py -0.019462 0.038209 0.037560 0.054448 -0.053965 -0.027247 13H 1s -0.094647 0.048922 -0.130012 -0.048164 0.087302 -0.010725 13H 2s 0.226889 -0.173211 0.300439 0.046931 -0.060023 -0.120031 13H 3s -0.040522 0.107311 -0.059235 -0.043067 0.002483 0.108541 13H 1pz -0.051307 -0.002684 -0.022486 -0.004180 0.077492 -0.071721 13H 1px 0.022500 0.066011 0.000021 -0.123168 0.000390 -0.029528 13H 1py -0.097567 -0.116651 -0.057695 0.104326 0.072121 -0.070311 14H 1s 0.044031 0.080421 -0.054685 0.040363 -0.105932 0.103228 14H 2s 0.041056 -0.232874 0.105775 -0.018681 0.166537 -0.208293 14H 3s 0.063279 0.049335 -0.018641 -0.083696 -0.068112 -0.013606 14H 1pz -0.064173 -0.035275 -0.099448 0.140367 0.060991 -0.031480 14H 1px 0.046944 0.034822 0.054061 -0.102219 -0.022283 0.012831 14H 1py -0.079684 -0.099041 -0.005924 -0.007340 0.129175 -0.098093 15H 1s -0.029806 0.115215 0.040670 -0.052927 -0.063324 0.174122 15H 2s -0.052469 -0.256940 -0.085330 0.098862 0.130440 -0.382198 15H 3s 0.186758 0.022078 0.182799 -0.187823 -0.251562 0.125378 15H 1pz -0.155377 0.022026 -0.133202 0.100958 0.147867 -0.037754 15H 1px -0.023208 0.050821 -0.002632 -0.097579 0.049966 -0.051143 15H 1py 0.152904 -0.045099 0.109001 -0.096071 -0.090399 0.017460 16H 1s 0.008738 0.184667 -0.108685 -0.067103 0.002936 -0.062392 16H 2s -0.024893 -0.489557 0.267047 0.188625 -0.028067 0.123621 16H 3s -0.016385 0.145851 -0.151790 -0.144312 0.100123 -0.076774 16H 1pz 0.019299 -0.093609 0.177159 0.023245 -0.069461 0.041585 16H 1px -0.012343 -0.197918 -0.067734 -0.012561 0.146197 0.193326 16H 1py -0.010121 -0.292705 -0.006326 0.076210 0.091146 0.154506 17H 1s 0.020408 0.204963 -0.048131 -0.059129 0.023187 -0.042365 17H 2s -0.037984 -0.524964 0.141361 0.102535 -0.056576 0.206689 17H 3s 0.013722 0.195677 0.001315 -0.116102 0.071101 -0.123048 17H 1pz 0.021056 0.180454 -0.024802 -0.061057 -0.022549 0.013878 17H 1px -0.009258 -0.010139 0.161152 0.015966 0.063725 -0.061526 17H 1py -0.019564 -0.281537 0.156311 0.051700 -0.017684 0.024924 18H 1s 0.020480 0.202884 -0.048518 0.064866 -0.025374 0.049667 18H 2s -0.040349 -0.520615 0.147422 -0.114178 0.061740 -0.226215 18H 3s 0.013498 0.193123 0.000149 0.119839 -0.068633 0.148412 18H 1pz -0.020466 -0.184502 0.030070 -0.066904 -0.022872 0.002132 18H 1px 0.008930 0.010283 -0.157179 0.018317 0.053384 -0.061150 18H 1py 0.019690 0.277977 -0.154622 0.057533 -0.027896 0.030920 19H 1s 0.008183 0.182645 -0.108372 0.075248 -0.009575 0.063533 19H 2s -0.022165 -0.483873 0.265792 -0.209132 0.048574 -0.136052 19H 3s -0.017558 0.144640 -0.145253 0.151702 -0.114145 0.065154 19H 1pz -0.019762 0.087957 -0.175626 0.029963 -0.079570 0.035557 19H 1px 0.015437 0.193847 0.067227 -0.013674 0.145723 0.192387 19H 1py 0.008670 0.292672 0.005673 0.083876 0.089225 0.164461 20H 1s -0.032657 0.112890 0.043644 0.052861 0.067286 -0.135405 20H 2s -0.047078 -0.251678 -0.092904 -0.100955 -0.134008 0.307575 20H 3s 0.176952 0.013892 0.184547 0.184965 0.247079 -0.183652 20H 1pz 0.152471 -0.027889 0.131977 0.097451 0.140186 -0.062951 20H 1px 0.021262 -0.050152 -0.001603 -0.099230 0.045947 -0.077294 20H 1py -0.150846 0.048987 -0.110542 -0.094261 -0.082227 0.046384 21H 1s 0.048647 0.082609 -0.054307 -0.035274 0.112599 -0.065702 21H 2s 0.032218 -0.235406 0.104395 0.010790 -0.183278 0.094047 21H 3s 0.065813 0.048278 -0.016580 0.086413 0.071114 0.042649 21H 1pz 0.061941 0.030364 0.102157 0.138258 0.058062 -0.018244 21H 1px -0.046205 -0.032599 -0.057457 -0.102836 -0.021207 0.006661 21H 1py 0.078643 0.098173 0.004352 -0.005384 0.129206 -0.090001 22H 1s -0.095789 0.049655 -0.126828 0.052218 -0.079812 0.050061 22H 2s 0.229120 -0.176403 0.296028 -0.058230 0.036518 0.007063 22H 3s -0.042703 0.109349 -0.055294 0.047919 0.006917 -0.023276 22H 1pz 0.049698 0.000986 0.021505 -0.004475 0.076843 -0.067212 22H 1px -0.022491 -0.064482 -0.004502 -0.125636 -0.001529 -0.041781 22H 1py 0.094432 0.111940 0.059908 0.106227 0.070329 -0.059379 23H 1s 0.041487 0.091228 -0.036738 -0.067821 -0.147974 -0.169432 23H 2s -0.006761 -0.244717 0.025963 0.134070 0.335370 0.331540 23H 3s 0.007798 0.000801 -0.044788 0.096143 -0.237303 -0.028839 23H 1pz -0.063206 -0.117164 0.051569 0.061176 -0.068189 0.125948 23H 1px -0.046653 0.015861 0.150996 -0.146661 0.103921 0.062536 23H 1py 0.018034 -0.039400 -0.031672 0.053107 -0.056917 -0.019350 24H 1s -0.065091 0.076265 -0.074102 -0.076869 -0.142674 -0.125833 24H 2s 0.021296 -0.174756 0.171830 0.145166 0.294565 0.269829 24H 3s 0.089386 -0.087625 -0.175444 0.126184 -0.032773 -0.129456 24H 1pz 0.114619 -0.128846 -0.098741 0.135806 -0.063045 -0.024264 24H 1px -0.026993 0.016073 0.090602 -0.130483 0.084922 0.026352 24H 1py 0.082598 -0.113204 -0.062188 0.054489 0.077297 -0.060204 25H 1s -0.024179 0.128586 0.076722 0.017321 0.000540 -0.033642 25H 2s 0.164016 -0.321817 -0.098202 0.078036 0.045877 0.218920 25H 3s -0.028015 0.122791 -0.001513 -0.035246 -0.033446 -0.099337 25H 1pz -0.053227 -0.028484 0.097337 -0.065550 0.058629 0.065119 25H 1px -0.031288 -0.025783 0.107675 -0.108776 0.090371 0.069924 25H 1py 0.020477 -0.024869 0.010745 -0.070917 0.086833 -0.037380 26O 1s 0.000797 0.006435 0.000890 -0.002896 0.003075 -0.004719 26O 2s 0.000919 0.017048 0.003134 -0.006035 0.005411 -0.012608 26O 3s 0.029288 -0.026523 -0.016277 -0.031347 0.041717 0.011705 26O 4s -0.200406 -0.350388 0.083425 0.357125 -0.442848 0.248631 26O 5s -0.461929 0.133978 -0.982229 0.686286 1.087853 1.410918 26O 1pz -0.035038 -0.021197 -0.033764 0.032893 0.079876 0.052856 26O 1px -0.002080 0.017979 0.092363 -0.030591 -0.095091 -0.075555 26O 1py 0.016463 0.003892 0.004592 0.018324 -0.016170 0.002693 26O 2pz 0.031869 -0.005366 0.036994 0.008603 -0.093235 -0.066783 26O 2px 0.150737 0.156319 0.061330 -0.207169 0.141900 -0.242128 26O 2py 0.044254 0.061795 0.061302 -0.079291 0.028344 -0.133927 26O 3pz -0.146381 0.223833 -0.419079 -0.305032 0.433556 -0.059118 26O 3px 0.030005 0.025171 0.261243 -0.529416 -0.364803 -0.880276 26O 3py 0.395150 0.139458 -0.249625 -0.338501 0.023962 -0.229968 26O 1dz2 -0.002877 0.000144 -0.001648 -0.001463 0.003746 0.000264 26O 1dxz 0.000103 -0.000194 -0.003015 -0.000740 0.001520 0.001104 26O 1dyz 0.001201 0.000987 -0.002307 -0.003571 0.003063 0.003263 26O 1dx2y2 0.003432 0.002258 0.001281 0.000454 0.000911 -0.001833 26O 1dxy -0.003375 0.002752 -0.001787 -0.000586 0.002060 -0.000403 26O 2dz2 0.026011 0.141631 -0.018780 -0.215881 -0.066329 -0.127268 26O 2dxz 0.124018 -0.032213 0.110050 0.033815 -0.147470 -0.024035 26O 2dyz 0.115252 0.153870 -0.013442 -0.158031 0.010921 -0.042161 26O 2dx2y2 0.209196 -0.058593 -0.249752 0.115516 0.192690 0.309395 26O 2dxy -0.318917 -0.037198 -0.090099 0.078574 0.170241 0.131956 26O 1f0 -0.003790 0.000861 -0.000484 -0.002182 -0.003463 0.002580 26O 1f+1 -0.001519 -0.004385 -0.001095 0.004389 -0.009559 0.006730 26O 1f-1 0.000355 -0.000992 -0.001983 -0.000799 -0.003227 0.000633 26O 1f+2 -0.000761 -0.002789 -0.000043 0.000773 -0.000132 0.002792 26O 1f-2 0.001138 0.000456 0.005509 0.001049 0.003427 -0.005747 26O 1f+3 -0.001634 -0.003352 0.002125 0.004118 -0.000812 0.001469 26O 1f-3 -0.005277 -0.005048 -0.000039 0.006518 -0.009458 0.003359 27O 1s -0.005455 0.002095 -0.001326 -0.004157 0.002234 -0.000500 27O 2s -0.014281 0.006075 -0.004790 -0.008246 0.006757 -0.001060 27O 3s 0.019457 -0.030391 0.026841 -0.047526 -0.015461 -0.013664 27O 4s 0.273346 -0.050483 -0.077825 0.547321 -0.073034 0.008760 27O 5s 0.395110 1.258063 0.708388 -0.044341 -1.322646 2.334484 27O 1pz 0.026598 0.015701 0.023194 0.013390 -0.004713 0.077693 27O 1px -0.033421 -0.040733 -0.070678 0.025334 0.087429 -0.106611 27O 1py 0.008157 -0.021306 -0.017896 0.014188 0.012163 -0.040163 27O 2pz 0.007851 -0.009551 -0.022774 0.058809 0.011070 -0.050323 27O 2px -0.194635 -0.141259 -0.021369 -0.251691 0.124802 -0.195017 27O 2py 0.010119 0.067696 0.029485 -0.025134 -0.074063 0.084516 27O 3pz 0.324555 0.299437 0.070581 -0.231273 -0.190676 0.285973 27O 3px -0.115037 -0.329290 -0.482485 -0.307206 0.875768 -1.054417 27O 3py 0.117429 -0.373469 -0.026668 0.409630 -0.195815 -0.081321 27O 1dz2 0.002700 -0.001820 -0.002065 0.001073 -0.001001 0.000847 27O 1dxz -0.002064 0.003338 -0.000016 -0.001276 0.002913 0.000923 27O 1dyz 0.000078 -0.002640 -0.000340 0.004489 0.002138 -0.000241 27O 1dx2y2 -0.002706 -0.003421 0.000894 0.001959 -0.001130 0.000138 27O 1dxy -0.002987 -0.002839 0.001480 0.001509 -0.001352 0.001603 27O 2dz2 0.016925 -0.140510 -0.250292 0.041086 0.209024 -0.252269 27O 2dxz -0.349899 -0.025225 -0.047298 -0.015126 0.193539 -0.105356 27O 2dyz 0.107758 -0.140344 -0.036245 0.213204 -0.038444 0.022070 27O 2dx2y2 0.029286 0.044630 0.210096 0.100767 -0.243302 0.331599 27O 2dxy -0.108908 0.020354 0.079520 -0.061104 0.017912 0.031716 27O 1f0 0.000218 0.001542 -0.000206 -0.001190 0.000635 -0.001251 27O 1f+1 0.003682 0.002116 -0.003498 0.008030 0.004215 -0.001495 27O 1f-1 -0.004641 -0.003048 0.000759 -0.000014 -0.001493 0.000211 27O 1f+2 0.002587 -0.001168 0.001249 0.003707 -0.004398 0.003974 27O 1f-2 0.002157 0.002254 0.001442 -0.000265 -0.000836 0.002017 27O 1f+3 0.006576 0.000046 0.002349 0.007594 -0.004939 0.004752 27O 1f-3 -0.002626 -0.004628 0.001816 -0.002639 0.001517 -0.003648 28O 1s -0.004965 0.004047 0.000208 0.008143 0.000179 0.001907 28O 2s -0.012134 0.011689 0.000939 0.018448 0.000577 0.003201 28O 3s 0.001833 -0.046951 -0.003024 0.048581 -0.002645 0.026760 28O 4s 0.309369 -0.023476 0.171565 -0.746282 -0.147928 -0.313350 28O 5s 0.173070 0.392022 -1.666943 -1.872640 1.859240 0.711819 28O 1pz -0.007328 0.013504 0.031903 0.055797 -0.038504 0.003795 28O 1px 0.008098 -0.003998 -0.089663 -0.044794 0.088524 0.059562 28O 1py -0.006524 0.004543 0.010681 0.013044 0.045061 -0.021279 28O 2pz -0.081691 -0.033775 0.084458 0.307499 -0.114291 -0.049274 28O 2px 0.159605 0.047636 -0.019814 -0.423784 0.041478 -0.094879 28O 2py -0.019927 -0.005766 0.038953 0.033461 -0.088907 -0.045127 28O 3pz -0.273333 0.312543 0.375199 1.122335 -0.235251 0.052173 28O 3px 0.016217 0.061503 -0.807601 -0.978937 0.647772 0.308664 28O 3py 0.059312 0.239508 0.049441 0.338590 0.248335 0.025942 28O 1dz2 -0.002919 0.003994 0.002750 0.006561 -0.001435 0.000222 28O 1dxz -0.001367 -0.000503 0.001692 -0.000707 0.000095 -0.000996 28O 1dyz -0.000937 0.004958 0.001948 0.005282 -0.001401 0.005524 28O 1dx2y2 -0.005054 -0.003698 -0.002011 -0.000829 -0.001529 -0.000607 28O 1dxy 0.002366 -0.000454 0.000057 -0.000117 -0.001962 -0.000427 28O 2dz2 -0.036847 0.015940 0.024280 0.032620 -0.001087 -0.060341 28O 2dxz -0.175822 0.089824 0.236479 0.386022 -0.239943 -0.081160 28O 2dyz -0.124374 0.091006 -0.144717 0.098173 0.001058 0.179184 28O 2dx2y2 -0.130072 -0.078333 -0.290866 -0.209847 0.157898 0.129998 28O 2dxy 0.123195 0.070133 0.006530 0.119241 0.016301 -0.020022 28O 1f0 0.001311 -0.000938 -0.001387 -0.010605 0.001955 -0.001401 28O 1f+1 0.002534 0.003520 -0.002606 -0.007937 0.004741 0.001147 28O 1f-1 -0.003761 -0.000060 0.001210 0.003397 -0.004937 -0.003738 28O 1f+2 -0.008071 0.001662 0.004479 0.016308 -0.002371 0.002518 28O 1f-2 0.002153 0.002593 -0.000472 -0.001478 0.002523 0.000448 28O 1f+3 -0.004193 0.001530 0.000847 0.009847 -0.000417 0.002534 28O 1f-3 0.002245 0.000146 -0.001157 -0.001051 0.000496 0.000488 29O 1s 0.000464 0.002792 -0.001062 0.000447 -0.001729 -0.000187 29O 2s 0.001609 0.014282 -0.005444 0.000086 -0.004517 -0.001819 29O 3s -0.011183 -0.222636 0.084457 0.033937 0.000598 0.045618 29O 4s 0.021056 0.802640 -0.306076 -0.140471 0.094384 -0.152281 29O 5s 0.007223 -0.363293 0.138797 -0.196179 -0.078463 -0.149334 29O 1pz -0.002626 -0.007368 -0.013460 -0.014934 -0.006096 -0.007435 29O 1px 0.001203 0.047750 -0.020885 0.036792 -0.017363 -0.007666 29O 1py 0.012136 0.157938 -0.053920 -0.009189 -0.002318 -0.027771 29O 2pz 0.020009 -0.040991 0.142491 0.030764 0.012068 0.073282 29O 2px 0.008909 0.146132 -0.004583 -0.055011 0.021265 -0.031690 29O 2py -0.019354 -0.354134 0.121151 0.073023 -0.025548 0.082903 29O 3pz -0.032329 -0.090511 -0.035639 0.003801 0.001573 -0.138668 29O 3px -0.000297 0.213979 -0.093758 0.060614 -0.074492 -0.029759 29O 3py 0.029260 0.219411 -0.040578 -0.086196 -0.033507 -0.030163 29O 1dz2 0.001110 -0.001762 0.000795 -0.000022 -0.001318 -0.000011 29O 1dxz -0.000074 -0.001749 -0.000362 -0.001772 -0.000304 0.000408 29O 1dyz 0.000272 0.000805 0.002195 -0.001048 -0.001536 0.000439 29O 1dx2y2 -0.001251 -0.000494 -0.000498 0.002302 -0.000502 0.000953 29O 1dxy -0.000577 0.001274 0.001053 0.000468 0.002211 -0.000174 29O 2dz2 0.006791 0.090094 0.090229 -0.015117 -0.033109 -0.096533 29O 2dxz -0.021070 -0.130725 -0.169810 -0.016645 0.154811 0.177568 29O 2dyz 0.008029 -0.039881 -0.151480 -0.019961 0.042873 0.141563 29O 2dx2y2 0.023958 0.229233 -0.151624 -0.024474 -0.105428 -0.029432 29O 2dxy -0.028791 -0.097313 -0.009369 0.010043 0.109892 0.062449 29O 1f0 -0.000068 -0.021872 0.011545 0.007039 -0.004433 0.007027 29O 1f+1 0.001092 0.007896 -0.001494 -0.002671 0.001911 -0.001617 29O 1f-1 -0.000229 -0.031070 0.017395 0.009256 -0.001161 0.011684 29O 1f+2 -0.000199 0.006476 -0.003900 -0.003408 0.002713 -0.002157 29O 1f-2 -0.001895 -0.023101 -0.000403 0.005199 -0.003800 0.003392 29O 1f+3 0.001353 0.008237 -0.000249 -0.002908 0.001494 -0.001677 29O 1f-3 0.001869 0.010798 -0.000220 -0.002461 -0.000468 -0.001269 30O 1s -0.000426 0.005631 -0.004930 0.007437 0.001391 0.005090 30O 2s -0.001738 0.014763 -0.013404 0.017447 0.003758 0.011119 30O 3s 0.021763 -0.023817 0.030598 0.028621 -0.013098 0.036286 30O 4s -0.164686 -0.363326 0.081772 -0.546332 0.106447 -0.647115 30O 5s 0.292528 0.815650 0.787429 -2.415018 -1.354396 1.001277 30O 1pz -0.032745 -0.031233 -0.041446 0.046831 0.056716 -0.023176 30O 1px 0.010359 0.034760 0.065812 -0.090115 -0.047861 0.081400 30O 1py 0.031641 0.021965 0.012415 -0.025964 0.005217 -0.015859 30O 2pz 0.003471 0.051620 -0.058781 0.233432 0.058529 0.077325 30O 2px -0.066706 -0.112901 0.072188 -0.330398 -0.026888 -0.234428 30O 2py -0.038420 -0.035947 0.086233 -0.263830 -0.099458 -0.023494 30O 3pz 0.041386 0.024377 -0.328899 0.768738 0.189063 0.121967 30O 3px 0.196181 0.357067 0.193613 -1.045054 -0.496399 0.347120 30O 3py 0.211502 -0.233248 0.042594 -0.869800 0.018252 -0.564475 30O 1dz2 0.001562 -0.000448 0.001303 -0.000977 -0.004673 0.000141 30O 1dxz 0.002867 -0.002106 -0.002127 -0.000448 -0.001105 -0.001312 30O 1dyz 0.001132 -0.002615 0.003275 -0.005822 0.000741 -0.002934 30O 1dx2y2 0.006697 0.000664 -0.000475 -0.002764 -0.000106 -0.002855 30O 1dxy 0.003571 0.002141 0.000363 -0.000154 0.001374 -0.001598 30O 2dz2 -0.077990 -0.096121 0.025070 0.062747 -0.069814 -0.042892 30O 2dxz 0.110903 -0.057099 -0.320218 0.342227 0.140331 -0.158665 30O 2dyz -0.085024 -0.155770 -0.031013 0.070366 0.186035 -0.125460 30O 2dx2y2 0.107167 0.046032 0.070321 -0.148971 -0.063498 0.058272 30O 2dxy 0.133057 -0.100383 0.080593 -0.338985 0.027908 -0.157556 30O 1f0 -0.001186 -0.004585 0.003901 -0.010560 -0.002149 -0.005167 30O 1f+1 0.002519 -0.000042 0.000267 -0.000154 -0.001003 -0.001624 30O 1f-1 -0.001423 0.000194 0.000762 -0.000462 -0.002836 -0.001592 30O 1f+2 -0.001448 0.002566 0.001471 0.002964 -0.002697 0.006171 30O 1f-2 -0.002051 0.002084 -0.006813 0.013166 0.006550 0.006050 30O 1f+3 -0.001578 0.003240 0.001121 0.000254 -0.001341 0.001395 30O 1f-3 -0.000236 0.002111 -0.003348 0.011387 0.001725 0.005424 31O 1s -0.000344 0.005814 -0.004951 -0.007160 -0.000985 -0.002301 31O 2s -0.001508 0.015221 -0.013428 -0.016705 -0.002701 -0.003747 31O 3s 0.021396 -0.023969 0.029760 -0.030071 0.010762 -0.047200 31O 4s -0.168060 -0.371779 0.084872 0.533612 -0.131180 0.447146 31O 5s 0.264040 0.766618 0.844954 2.420295 1.466453 -0.371881 31O 1pz 0.030483 0.028825 0.042269 0.047248 0.056323 -0.029498 31O 1px -0.009468 -0.032212 -0.068894 -0.089083 -0.053443 0.052218 31O 1py -0.031475 -0.020829 -0.012603 -0.026595 0.006315 -0.006289 31O 2pz -0.004471 -0.055020 0.061611 0.230603 0.059277 0.061561 31O 2px 0.068697 0.117339 -0.075543 -0.324964 -0.021596 -0.186956 31O 2py 0.041447 0.040607 -0.090399 -0.260657 -0.102227 -0.014126 31O 3pz -0.052327 -0.043412 0.341491 0.761794 0.186237 -0.015424 31O 3px -0.181044 -0.334859 -0.216565 -1.052750 -0.542707 0.121090 31O 3py -0.195208 0.252219 -0.058440 -0.867707 0.026172 -0.323329 31O 1dz2 0.001669 -0.000504 0.001291 0.000927 0.004573 -0.000242 31O 1dxz 0.002882 -0.002076 -0.002107 0.000472 0.001142 0.000874 31O 1dyz 0.001065 -0.002732 0.003472 0.005723 -0.000990 0.002497 31O 1dx2y2 0.006646 0.000510 -0.000441 0.002866 0.000112 0.003021 31O 1dxy 0.003627 0.002170 0.000411 0.000219 -0.001282 0.002198 31O 2dz2 -0.074381 -0.095706 0.023177 -0.065439 0.058746 -0.014576 31O 2dxz 0.118690 -0.044999 -0.327573 -0.333989 -0.139395 0.172177 31O 2dyz -0.084428 -0.152452 -0.029580 -0.074889 -0.203255 0.075779 31O 2dx2y2 0.105618 0.041439 0.073647 0.148742 0.068660 -0.018876 31O 2dxy 0.131448 -0.106909 0.091282 0.336383 -0.022711 0.109401 31O 1f0 0.001182 0.004692 -0.004027 -0.010334 -0.002020 -0.003797 31O 1f+1 -0.002600 0.000018 -0.000201 -0.000226 -0.000968 -0.001545 31O 1f-1 0.001333 -0.000159 -0.000648 -0.000386 -0.002731 -0.001426 31O 1f+2 0.001454 -0.002551 -0.001371 0.003042 -0.002718 0.005693 31O 1f-2 0.001980 -0.002241 0.006898 0.012987 0.006346 0.004480 31O 1f+3 0.001553 -0.003286 -0.001081 0.000228 -0.001505 0.000490 31O 1f-3 0.000050 -0.002345 0.003455 0.011206 0.001563 0.005011 32O 1s 0.000458 0.002799 -0.001146 -0.000336 0.001646 0.000247 32O 2s 0.001581 0.014265 -0.005700 0.000471 0.004189 0.002096 32O 3s -0.010758 -0.221389 0.085616 -0.042314 0.002975 -0.049351 32O 4s 0.019666 0.796906 -0.307009 0.171183 -0.101870 0.159696 32O 5s 0.007917 -0.363079 0.142842 0.175940 0.061581 0.174540 32O 1pz 0.003499 0.010872 0.012234 -0.014849 -0.004740 -0.010280 32O 1px -0.001492 -0.047127 0.021800 0.035681 -0.017589 -0.008028 32O 1py -0.012165 -0.157289 0.053970 -0.014251 0.000560 -0.030179 32O 2pz -0.021933 0.032050 -0.137157 0.035674 0.003426 0.069631 32O 2px -0.008549 -0.147499 0.006304 -0.058784 0.022230 -0.038542 32O 2py 0.018329 0.351014 -0.124148 0.085170 -0.031209 0.091501 32O 3pz 0.032657 0.092475 0.033575 0.008760 0.007199 -0.121007 32O 3px -0.001873 -0.211677 0.096687 0.054491 -0.077405 -0.014712 32O 3py -0.027395 -0.217182 0.037079 -0.091123 -0.031904 -0.034180 32O 1dz2 0.001139 -0.001840 0.000476 -0.000110 0.001251 0.000224 32O 1dxz -0.000069 -0.001851 -0.000313 0.001706 0.000150 -0.000559 32O 1dyz 0.000276 0.000654 0.002200 0.000958 0.001660 -0.000599 32O 1dx2y2 -0.001289 -0.000548 -0.000717 -0.002264 0.000592 -0.001227 32O 1dxy -0.000595 0.001251 0.001017 -0.000426 -0.002075 0.000018 32O 2dz2 0.006196 0.088857 0.094285 0.013534 0.036363 0.101898 32O 2dxz -0.021465 -0.126042 -0.166933 0.018736 -0.156768 -0.180250 32O 2dyz 0.007920 -0.031199 -0.150466 0.023750 -0.049647 -0.142002 32O 2dx2y2 0.023900 0.231662 -0.145912 0.029497 0.095810 0.042102 32O 2dxy -0.029962 -0.094949 -0.012327 -0.008743 -0.112227 -0.069232 32O 1f0 0.000003 0.019814 -0.010570 0.007291 -0.004818 0.006445 32O 1f+1 -0.001130 -0.009146 0.001922 -0.003352 0.002147 -0.002266 32O 1f-1 0.000173 0.031781 -0.017702 0.010851 -0.002311 0.012142 32O 1f+2 0.000173 -0.008025 0.004374 -0.004266 0.002986 -0.002724 32O 1f-2 0.001906 0.022537 0.000457 0.005475 -0.003539 0.004581 32O 1f+3 -0.001278 -0.007370 0.000197 -0.002885 0.001412 -0.001949 32O 1f-3 -0.001883 -0.010540 0.000202 -0.002534 -0.000532 -0.002019 33O 1s -0.004822 0.004221 -0.000088 -0.008038 -0.000132 -0.004567 33O 2s -0.011855 0.012080 0.000221 -0.018163 -0.000435 -0.010275 33O 3s 0.003770 -0.045973 -0.003480 -0.049573 0.001328 -0.012928 33O 4s 0.293752 -0.040467 0.186411 0.737422 0.160954 0.479719 33O 5s 0.112563 0.383682 -1.545562 1.945598 -1.893354 -1.438533 33O 1pz 0.005487 -0.014042 -0.029083 0.055977 -0.041479 0.022868 33O 1px -0.007652 0.004048 0.084372 -0.048152 0.091251 0.084027 33O 1py 0.006966 -0.005263 -0.009544 0.013832 0.045933 0.003791 33O 2pz 0.072652 0.028930 -0.071338 0.310172 -0.110616 -0.062611 33O 2px -0.147960 -0.040146 0.007137 -0.424755 0.036560 -0.112294 33O 2py 0.017538 0.006018 -0.036080 0.035392 -0.088797 -0.061743 33O 3pz 0.252330 -0.326475 -0.333993 1.127771 -0.238595 0.291180 33O 3px 0.009794 -0.053563 0.750356 -1.011791 0.655961 0.500632 33O 3py -0.062568 -0.246685 -0.043561 0.334303 0.254192 0.286305 33O 1dz2 -0.002800 0.004028 0.002391 -0.006587 0.001617 -0.001373 33O 1dxz -0.001438 -0.000509 0.001767 0.000629 0.000140 0.001128 33O 1dyz -0.000964 0.005059 0.001888 -0.005240 0.001844 -0.006954 33O 1dx2y2 -0.004958 -0.003727 -0.002060 0.000817 0.001322 0.001532 33O 1dxy 0.002388 -0.000475 -0.000062 0.000163 0.002000 0.000131 33O 2dz2 -0.038208 0.016105 0.020924 -0.035295 0.000715 0.062157 33O 2dxz -0.169942 0.095122 0.219026 -0.393127 0.249567 0.063942 33O 2dyz -0.129620 0.092990 -0.140386 -0.089012 0.001110 -0.238686 33O 2dx2y2 -0.132233 -0.079342 -0.274804 0.216401 -0.164670 -0.141656 33O 2dxy 0.123116 0.071768 -0.002365 -0.116359 -0.021552 -0.073696 33O 1f0 -0.001002 0.001039 0.000970 -0.010579 0.002047 -0.002187 33O 1f+1 -0.002115 -0.003393 0.002198 -0.007988 0.004922 0.001599 33O 1f-1 0.003608 -0.000044 -0.000963 0.003436 -0.004875 -0.003868 33O 1f+2 0.007572 -0.001896 -0.003912 0.016400 -0.002302 0.003510 33O 1f-2 -0.001900 -0.002552 0.000394 -0.001579 0.002449 0.000601 33O 1f+3 0.003962 -0.001718 -0.000685 0.009894 -0.000450 0.003021 33O 1f-3 -0.002176 -0.000099 0.001244 -0.001192 0.000558 0.000895 34O 1s -0.005368 0.002087 -0.001097 0.004145 -0.002076 0.002658 34O 2s -0.014103 0.006085 -0.004268 0.008272 -0.006308 0.006869 34O 3s 0.020303 -0.030993 0.028204 0.046216 0.013105 0.003714 34O 4s 0.266648 -0.045208 -0.100706 -0.540158 0.064153 -0.171158 34O 5s 0.345562 1.228664 0.686802 0.066151 1.469677 -1.676884 34O 1pz -0.027653 -0.015813 -0.023945 0.013126 -0.008472 0.061449 34O 1px 0.031723 0.038893 0.071069 0.024119 0.089960 -0.092763 34O 1py -0.008433 0.021102 0.018445 0.014051 0.016086 -0.012116 34O 2pz -0.008026 0.008313 0.025186 0.058641 0.013989 -0.040056 34O 2px 0.186033 0.141089 0.008189 -0.244054 0.135722 -0.211924 34O 2py -0.007743 -0.066152 -0.028040 -0.026606 -0.081284 0.065196 34O 3pz -0.320630 -0.293208 -0.082074 -0.241917 -0.216938 0.099419 34O 3px 0.092033 0.317531 0.451586 -0.304694 0.929898 -1.036355 34O 3py -0.116671 0.367391 0.046346 0.413954 -0.187310 0.215291 34O 1dz2 0.002620 -0.001852 -0.002052 -0.000971 0.001105 -0.000823 34O 1dxz -0.002158 0.003246 0.000097 0.001299 -0.002894 -0.000412 34O 1dyz 0.000081 -0.002504 -0.000374 -0.004599 -0.002399 -0.000045 34O 1dx2y2 -0.002659 -0.003365 0.000869 -0.002144 0.001085 -0.000265 34O 1dxy -0.003088 -0.002852 0.001408 -0.001651 0.001263 -0.002043 34O 2dz2 0.020933 -0.135178 -0.246102 -0.036254 -0.213212 0.243397 34O 2dxz -0.356033 -0.026814 -0.047062 0.010278 -0.200008 0.088264 34O 2dyz 0.111858 -0.135461 -0.039881 -0.214441 0.025471 -0.108112 34O 2dx2y2 0.023664 0.042273 0.205067 -0.105435 0.255441 -0.335780 34O 2dxy -0.110107 0.019042 0.082614 0.057322 -0.028554 -0.003088 34O 1f0 -0.000222 -0.001526 0.000198 -0.001235 0.000540 -0.001480 34O 1f+1 -0.003444 -0.002257 0.003864 0.007766 0.003811 -0.001683 34O 1f-1 0.004514 0.003051 -0.000778 0.000094 -0.001501 0.000342 34O 1f+2 -0.002561 0.001183 -0.001016 0.003695 -0.004507 0.004354 34O 1f-2 -0.002089 -0.002165 -0.001449 -0.000366 -0.000940 0.002559 34O 1f+3 -0.006270 -0.000042 -0.001946 0.007518 -0.004997 0.005927 34O 1f-3 0.002346 0.004539 -0.002020 -0.002428 0.001780 -0.002757 35O 1s 0.000887 0.006373 0.000912 0.003013 -0.003083 0.001616 35O 2s 0.001165 0.016908 0.003110 0.006337 -0.005404 0.004352 35O 3s 0.029087 -0.026878 -0.014639 0.030791 -0.042587 0.002399 35O 4s -0.205291 -0.345297 0.071862 -0.366674 0.448739 -0.024398 35O 5s -0.485218 0.159819 -0.939652 -0.635011 -1.099913 -2.190503 35O 1pz 0.034095 0.019885 0.032946 0.032484 0.082923 0.079685 35O 1px 0.001327 -0.016548 -0.088914 -0.027459 -0.098841 -0.092452 35O 1py -0.017702 -0.003588 -0.001714 0.017423 -0.017218 0.010230 35O 2pz -0.033206 0.006097 -0.033766 0.010455 -0.093802 -0.089212 35O 2px -0.154598 -0.151761 -0.064325 -0.206683 0.143109 -0.198016 35O 2py -0.045708 -0.059777 -0.061647 -0.077208 0.029248 -0.128352 35O 3pz 0.143232 -0.224121 0.406094 -0.322689 0.466749 0.212652 35O 3px -0.050228 -0.013183 -0.243407 -0.511611 -0.351554 -1.030039 35O 3py -0.409871 -0.134841 0.250633 -0.354992 0.047543 -0.096428 35O 1dz2 -0.002938 0.000112 -0.001588 0.001485 -0.003679 0.000552 35O 1dxz 0.000202 -0.000212 -0.003116 0.000838 -0.001632 -0.000972 35O 1dyz 0.001173 0.000892 -0.002197 0.003719 -0.003161 -0.003575 35O 1dx2y2 0.003329 0.002203 0.001254 -0.000447 -0.000786 0.001217 35O 1dxy -0.003364 0.002718 -0.001752 0.000620 -0.002157 0.000310 35O 2dz2 0.025140 0.136774 -0.016484 0.218249 0.072009 0.108797 35O 2dxz 0.125766 -0.033918 0.103874 -0.034546 0.161874 0.059974 35O 2dyz 0.114221 0.149824 -0.013003 0.165307 -0.012391 -0.055452 35O 2dx2y2 0.203290 -0.056677 -0.242972 -0.103914 -0.195297 -0.342508 35O 2dxy -0.322919 -0.033443 -0.079540 -0.080606 -0.169959 -0.134444 35O 1f0 0.003813 -0.000865 0.000403 -0.002248 -0.003417 0.003137 35O 1f+1 0.001631 0.004281 0.001045 0.004405 -0.009857 0.005966 35O 1f-1 -0.000355 0.000927 0.001956 -0.000846 -0.003342 0.000526 35O 1f+2 0.000736 0.002767 -0.000033 0.000856 -0.000133 0.001440 35O 1f-2 -0.001114 -0.000447 -0.005404 0.001252 0.003444 -0.005049 35O 1f+3 0.001709 0.003273 -0.002153 0.004219 -0.000861 0.000833 35O 1f-3 0.005401 0.004916 0.000417 0.006574 -0.009489 0.002596 384 385 386 387 388 389 2.07455 2.07956 2.09438 2.09980 2.10558 2.10850 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s -0.000775 -0.002920 0.001080 -0.000569 -0.000685 0.000212 0Rh 2s 0.003513 0.012860 -0.005888 0.002510 0.003063 -0.001692 0Rh 3s -0.002413 -0.009326 0.002762 -0.001816 -0.002161 0.000218 0Rh 4s -0.017498 -0.063837 0.029661 -0.012419 -0.015297 0.008631 0Rh 5s 0.022220 0.075851 -0.046987 0.013990 0.019461 -0.017315 0Rh 6s 0.022798 0.109234 0.005241 0.026902 0.019204 0.018581 0Rh 7s -0.113235 -0.448612 -0.132112 -0.121425 -0.143344 -0.029873 0Rh 8s -0.052914 0.335681 0.217770 0.110357 -0.055431 0.011194 0Rh 1pz 0.003599 0.001942 -0.002678 -0.006609 -0.005492 -0.006741 0Rh 1px 0.000106 -0.002940 0.003748 -0.000640 -0.003100 0.003006 0Rh 1py -0.001217 -0.002895 -0.006879 -0.000437 0.006400 0.000487 0Rh 2pz -0.012684 -0.007038 0.008759 0.023332 0.019142 0.023682 0Rh 2px -0.000252 0.011036 -0.012834 0.002396 0.011027 -0.010504 0Rh 2py 0.004304 0.010339 0.024337 0.001442 -0.021990 -0.001728 0Rh 3pz 0.009111 0.008647 0.007035 -0.017654 -0.008809 -0.015214 0Rh 3px -0.002496 -0.022741 0.001080 -0.004862 -0.009776 0.005336 0Rh 3py -0.003226 -0.010364 -0.018510 0.001472 0.004040 0.001858 0Rh 4pz 0.046923 0.013878 -0.082059 -0.082216 -0.093098 -0.095776 0Rh 4px 0.012636 0.024153 0.082495 0.005951 -0.034340 0.050345 0Rh 4py -0.016535 -0.025760 -0.090360 -0.018030 0.128440 0.001884 0Rh 5pz -0.079936 -0.020305 0.138518 0.146364 0.165779 0.174416 0Rh 5px -0.026525 -0.081719 -0.153128 -0.023202 0.062332 -0.100323 0Rh 5py 0.032676 0.039111 0.163889 0.035097 -0.225498 -0.003219 0Rh 6pz 0.015669 -0.899876 -0.912129 -0.109717 0.211888 -0.130786 0Rh 6px 0.023721 0.355269 0.228737 0.037943 0.081881 0.011812 0Rh 6py 0.117356 0.206717 0.509643 0.558101 0.445255 0.670928 0Rh 1dz2 0.003898 -0.002929 -0.004255 0.005512 0.000352 -0.000466 0Rh 1dxz -0.001610 -0.006932 -0.006353 -0.001159 0.004856 -0.006743 0Rh 1dyz 0.014356 -0.002212 -0.002442 -0.001855 -0.000288 -0.000172 0Rh 1dx2y2 0.000193 0.006604 0.010190 0.003124 0.006606 -0.005331 0Rh 1dxy 0.003547 0.004104 0.010459 0.000825 -0.003950 0.001202 0Rh 2dz2 -0.004624 0.002408 0.001288 0.000426 0.001674 0.000623 0Rh 2dxz 0.000539 0.001155 0.002155 0.001208 0.001311 0.000770 0Rh 2dyz -0.009299 0.001704 -0.000008 -0.004046 0.000559 -0.000405 0Rh 2dx2y2 -0.002527 -0.003831 -0.001476 -0.000440 -0.000059 0.000259 0Rh 2dxy -0.003848 -0.000718 -0.000923 -0.000261 -0.000557 0.000840 0Rh 3dz2 0.010769 -0.003234 0.005509 -0.015910 -0.008076 -0.001400 0Rh 3dxz 0.001711 0.012502 0.007046 -0.002321 -0.018347 0.014327 0Rh 3dyz 0.005491 -0.002079 0.006300 0.022926 -0.001928 0.002049 0Rh 3dx2y2 0.010891 0.000018 -0.019795 -0.006078 -0.016588 0.012642 0Rh 3dxy 0.008477 -0.007397 -0.023118 -0.000661 0.012836 -0.006762 0Rh 4dz2 -0.076106 0.038346 0.017103 -0.000672 0.020360 0.008155 0Rh 4dxz 0.009470 0.024462 0.033021 0.017958 0.016121 0.012154 0Rh 4dyz -0.167284 0.030536 0.001764 -0.061479 0.010894 -0.002302 0Rh 4dx2y2 -0.040663 -0.059417 -0.026174 -0.009772 -0.007315 0.006497 0Rh 4dxy -0.068449 -0.012367 -0.016355 -0.009582 -0.008911 0.010256 0Rh 5dz2 0.395835 -0.168324 -0.048154 0.057532 -0.038570 -0.043219 0Rh 5dxz -0.049290 -0.136403 -0.156087 -0.076925 -0.029854 -0.080988 0Rh 5dyz 0.970227 -0.172220 -0.016115 0.262685 -0.049541 -0.033882 0Rh 5dx2y2 0.191934 0.232684 0.141544 0.079852 0.064809 -0.029754 0Rh 5dxy 0.386469 0.048572 0.096146 0.083689 0.044240 -0.022254 0Rh 1f0 0.041825 -0.052092 0.089184 -0.293615 0.193834 0.199865 0Rh 1f+1 -0.003453 -0.040854 -0.163002 0.066866 -0.259769 -0.403928 0Rh 1f-1 -0.051218 -0.009844 0.000388 0.139106 -0.114392 -0.122295 0Rh 1f+2 -0.049151 0.167941 0.035224 0.137674 -0.193148 -0.138067 0Rh 1f-2 0.080606 0.042394 0.132953 -0.027144 0.151573 0.218161 0Rh 1f+3 0.067622 0.125697 0.007995 -0.351774 0.259501 0.151390 0Rh 1f-3 0.010913 0.028505 -0.001544 -0.015642 0.158144 0.152862 1Rh 1s 0.000177 -0.003243 -0.001260 -0.000576 0.000632 0.000302 1Rh 2s -0.001058 0.014359 0.006783 0.002554 -0.002797 -0.002100 1Rh 3s 0.000394 -0.010311 -0.003276 -0.001831 0.002013 0.000497 1Rh 4s 0.005340 -0.071317 -0.034115 -0.012637 0.013961 0.010673 1Rh 5s -0.009081 0.085691 0.052979 0.014333 -0.017469 -0.019974 1Rh 6s 0.003784 0.117414 -0.000449 0.026915 -0.018915 0.016293 1Rh 7s 0.016054 -0.505311 0.104243 -0.123361 0.138699 -0.014939 1Rh 8s 0.110645 0.273838 -0.185196 0.117528 0.052241 0.027083 1Rh 1pz 0.000900 -0.003439 -0.002756 0.006826 -0.005938 0.006206 1Rh 1px -0.000758 0.002774 0.004052 0.000737 -0.002779 -0.003294 1Rh 1py 0.002431 0.003122 -0.006848 -0.000029 0.006194 -0.000158 1Rh 2pz -0.003076 0.012273 0.009042 -0.024086 0.020699 -0.021803 1Rh 2px 0.002637 -0.010515 -0.013933 -0.002724 0.009893 0.011539 1Rh 2py -0.008426 -0.011172 0.024226 0.000178 -0.021265 0.000610 1Rh 3pz -0.000105 -0.011532 0.006631 0.017975 -0.009617 0.014069 1Rh 3px -0.001204 0.023749 0.002442 0.004849 -0.008944 -0.006505 1Rh 3py 0.003128 0.011534 -0.018448 -0.002062 0.003586 -0.001894 1Rh 4pz 0.022677 -0.037230 -0.082222 0.085821 -0.100009 0.087697 1Rh 4px -0.012395 -0.031952 0.084105 -0.003729 -0.029991 -0.052586 1Rh 4py 0.043063 0.027259 -0.089759 0.009480 0.125329 0.005446 1Rh 5pz -0.046116 0.061916 0.138166 -0.152437 0.178227 -0.159943 1Rh 5px 0.025095 0.095689 -0.154267 0.019485 0.053979 0.104651 1Rh 5py -0.075977 -0.043515 0.162673 -0.019387 -0.219956 -0.009234 1Rh 6pz 0.056886 0.886886 -0.891735 0.111303 0.152250 0.169150 1Rh 6px -0.076222 -0.362055 0.208327 -0.041696 0.063028 -0.005833 1Rh 6py -0.091348 -0.209530 0.499722 -0.578970 0.492711 -0.636711 1Rh 1dz2 0.001141 -0.001934 0.003879 0.005252 -0.000356 -0.000866 1Rh 1dxz 0.000143 -0.007712 0.006388 -0.000895 -0.003874 -0.007291 1Rh 1dyz 0.013185 -0.002203 0.002277 -0.001748 0.000070 0.000071 1Rh 1dx2y2 0.004060 0.005702 -0.009856 0.003210 -0.005750 -0.006057 1Rh 1dxy 0.006455 0.003962 -0.010197 0.000700 0.003878 0.001532 1Rh 2dz2 -0.004683 0.002409 -0.001160 0.000497 -0.001719 0.000491 1Rh 2dxz 0.000038 0.001351 -0.002086 0.001247 -0.001304 0.000651 1Rh 2dyz -0.009232 0.001544 0.000106 -0.004006 -0.000678 -0.000386 1Rh 2dx2y2 -0.002537 -0.004007 0.001290 -0.000366 0.000027 0.000320 1Rh 2dxy -0.003546 -0.001007 0.000901 -0.000233 0.000433 0.000934 1Rh 3dz2 0.018213 -0.005833 -0.005111 -0.015539 0.008282 0.000199 1Rh 3dxz -0.000629 0.013656 -0.007456 -0.003168 0.015749 0.016272 1Rh 3dyz 0.008228 -0.001381 -0.006325 0.022460 0.003055 0.001354 1Rh 3dx2y2 0.000825 0.003172 0.019760 -0.006623 0.014525 0.014224 1Rh 3dxy -0.000410 -0.005750 0.022536 -0.000457 -0.012098 -0.008047 1Rh 4dz2 -0.077046 0.038354 -0.014917 0.000278 -0.021076 0.006747 1Rh 4dxz 0.002178 0.027543 -0.031839 0.018288 -0.016333 0.010720 1Rh 4dyz -0.165939 0.028028 0.000050 -0.060770 -0.013131 -0.002388 1Rh 4dx2y2 -0.040326 -0.062374 0.023266 -0.008792 0.006220 0.008143 1Rh 4dxy -0.064760 -0.016435 0.015916 -0.009276 0.007049 0.011659 1Rh 5dz2 0.395476 -0.167123 0.037168 0.054752 0.043970 -0.041941 1Rh 5dxz -0.026600 -0.147866 0.150858 -0.076102 0.036096 -0.078888 1Rh 5dyz 0.959962 -0.162040 0.005080 0.259613 0.064389 -0.030908 1Rh 5dx2y2 0.194547 0.243634 -0.129594 0.076441 -0.056936 -0.040630 1Rh 5dxy 0.380594 0.061233 -0.094287 0.083867 -0.036414 -0.027454 1Rh 1f0 -0.052351 0.056640 0.089513 0.288882 0.222746 -0.169237 1Rh 1f+1 -0.028971 0.047058 -0.163226 -0.053555 -0.309433 0.375648 1Rh 1f-1 0.038908 0.011251 -0.001414 -0.132874 -0.130217 0.105032 1Rh 1f+2 0.047362 -0.164794 0.031411 -0.133476 -0.204403 0.113805 1Rh 1f-2 -0.060591 -0.053382 0.128791 0.023481 0.173058 -0.196438 1Rh 1f+3 -0.082800 -0.115268 0.000160 0.341024 0.286444 -0.116785 1Rh 1f-3 0.012261 -0.033091 -0.007958 0.011629 0.169149 -0.134642 2C 1s 0.013200 -0.005859 -0.000943 0.002432 -0.003695 -0.000649 2C 2s 0.044915 -0.019687 -0.001676 0.008841 -0.014373 -0.002740 2C 3s -0.262019 0.081839 0.018889 -0.099673 0.116616 -0.015901 2C 4s -0.223374 0.152149 -0.086006 0.222649 -0.080747 0.223028 2C 5s 0.696261 0.882203 -0.295888 0.061761 1.175176 -0.447359 2C 1pz -0.167732 0.115827 0.016168 -0.143280 -0.033841 -0.091142 2C 1px -0.004057 -0.106256 0.036486 0.061089 -0.035798 0.098244 2C 1py -0.155100 0.016636 0.015449 0.085660 0.180865 0.100222 2C 2pz -0.162023 -0.094091 -0.054302 0.359945 0.188185 0.327645 2C 2px -0.160606 0.406553 -0.134745 -0.158053 0.169095 -0.249547 2C 2py 0.059693 0.045891 -0.038691 -0.245634 -0.405431 -0.174747 2C 3pz 0.034947 0.291597 -0.089078 -0.021204 0.193143 -0.151533 2C 3px 0.262334 0.050525 0.075515 0.094185 -0.016910 -0.052155 2C 3py -0.034579 0.151798 0.009292 0.087967 0.335303 0.116721 2C 1dz2 0.028336 -0.023948 -0.005732 0.010735 -0.004747 -0.000729 2C 1dxz 0.015621 -0.044605 0.004069 0.009294 -0.027595 0.007304 2C 1dyz 0.052304 -0.023318 -0.001198 -0.004474 -0.021355 -0.007526 2C 1dx2y2 -0.012201 0.005769 -0.009591 -0.013952 0.019375 -0.018446 2C 1dxy 0.008393 -0.017351 -0.005179 0.016429 -0.001470 0.017349 2C 2dz2 -0.196897 0.024134 -0.004470 0.180541 0.166097 0.172138 2C 2dxz -0.118962 0.265992 -0.081313 -0.074612 0.196528 -0.104572 2C 2dyz -0.222414 0.076685 -0.014286 -0.006287 -0.026178 0.080174 2C 2dx2y2 -0.006997 -0.058446 0.016276 0.145774 0.091424 0.119319 2C 2dxy -0.114994 0.172165 -0.052540 -0.127392 0.007086 -0.152926 2C 1f0 -0.026077 0.023947 -0.002393 -0.010215 0.011989 -0.027176 2C 1f+1 0.000851 0.011482 -0.005883 0.001783 0.005892 -0.001964 2C 1f-1 -0.053894 0.007123 0.007885 0.000946 -0.002889 0.016925 2C 1f+2 0.062515 -0.075730 0.006517 0.027258 -0.041273 0.005848 2C 1f-2 -0.066447 0.018419 -0.005251 0.000830 0.021745 0.015280 2C 1f+3 0.065632 -0.066057 0.006225 0.008857 -0.042965 -0.012234 2C 1f-3 0.016164 0.024563 -0.003243 -0.014425 0.006284 -0.015438 3C 1s -0.011420 -0.002991 0.010289 -0.004339 -0.004117 -0.000931 3C 2s -0.038405 -0.009956 0.038800 -0.016046 -0.014073 -0.003384 3C 3s 0.192290 0.018455 -0.286160 0.117267 0.096313 0.018642 3C 4s 0.347787 0.157511 0.054576 -0.092698 -0.036225 0.047930 3C 5s -0.363380 1.499980 -2.121309 0.113809 0.401635 0.266132 3C 1pz 0.169652 0.103639 -0.242388 -0.029938 0.038039 -0.058182 3C 1px 0.041435 -0.133441 -0.012478 -0.078000 0.043017 -0.057421 3C 1py -0.114830 -0.033071 0.071966 -0.118068 -0.045290 -0.057421 3C 2pz -0.204287 -0.297036 0.477066 0.128440 -0.054083 0.196866 3C 2px 0.160539 0.414549 -0.141661 0.227469 -0.050075 0.116094 3C 2py -0.332015 -0.056416 0.158001 0.227911 0.006577 0.094691 3C 3pz 0.226241 0.158938 -0.575841 0.059018 0.113831 -0.044301 3C 3px -0.096791 0.155592 -0.087265 -0.106325 0.096772 -0.057545 3C 3py 0.047407 -0.428050 0.434837 -0.043188 -0.104890 -0.114399 3C 1dz2 0.009287 0.017670 -0.004343 0.022355 0.010016 0.006837 3C 1dxz -0.020418 -0.021813 0.030499 -0.018314 -0.007240 -0.008775 3C 1dyz 0.032024 0.002809 -0.036144 -0.003083 0.011730 -0.002076 3C 1dx2y2 0.033024 0.027153 -0.047074 0.003568 0.012364 -0.016050 3C 1dxy 0.035713 0.031033 -0.043687 0.022510 0.018209 0.010959 3C 2dz2 -0.223921 -0.176236 0.214254 0.005846 -0.028408 0.013903 3C 2dxz 0.056218 0.164604 -0.060702 0.221999 -0.001786 0.167351 3C 2dyz -0.144638 0.099716 -0.026713 -0.012961 -0.043376 -0.015410 3C 2dx2y2 -0.194798 -0.056897 0.206922 0.101188 -0.034636 0.094604 3C 2dxy -0.226658 -0.235530 0.256588 -0.119640 -0.034844 -0.034883 3C 1f0 0.023517 0.050002 -0.058865 0.020449 0.016267 -0.012330 3C 1f+1 0.022407 0.042433 -0.032649 0.020991 0.011623 -0.010239 3C 1f-1 0.022594 0.003593 -0.038021 -0.002788 0.010192 0.005486 3C 1f+2 -0.093881 -0.044259 0.104055 -0.045916 -0.033259 -0.015901 3C 1f-2 -0.066927 -0.040910 0.074001 -0.023781 -0.023551 0.014375 3C 1f+3 0.016886 -0.003125 0.001536 -0.008060 -0.002533 -0.006821 3C 1f-3 -0.006793 -0.028336 -0.010308 -0.006068 0.001031 -0.001387 4C 1s 0.001997 -0.002494 0.001343 0.005414 -0.000352 0.000825 4C 2s 0.006592 -0.006614 0.004192 0.017013 0.001277 0.000985 4C 3s -0.126407 0.321520 0.164269 0.073320 -0.126980 0.107287 4C 4s 0.661818 -1.847115 -1.066175 -1.090916 0.601088 -0.702791 4C 5s 1.315863 -1.650024 -0.352291 -0.051350 -0.399716 -0.037172 4C 1pz 0.121440 -0.018232 -0.000972 0.032033 0.019918 0.028521 4C 1px 0.025980 -0.072276 0.043694 -0.051228 0.025280 -0.055966 4C 1py 0.113418 0.003100 -0.016764 -0.049290 -0.059290 -0.057071 4C 2pz -0.530068 0.007588 -0.194816 -0.397149 0.039236 -0.214591 4C 2px 0.046171 -0.075051 -0.667024 0.366064 0.136524 0.352989 4C 2py -0.382384 -0.226591 -0.230919 -0.012895 0.310036 0.191379 4C 3pz 2.262889 -0.135115 -0.169660 0.383138 0.461722 -0.456752 4C 3px 0.484104 -0.437920 -0.298093 0.395819 0.114474 0.274806 4C 3py 1.581112 -0.223168 -0.280763 0.345344 0.253582 -0.287307 4C 1dz2 0.032740 -0.022792 -0.003123 -0.017695 -0.009989 0.011406 4C 1dxz 0.014306 0.003461 0.005720 -0.011697 -0.012738 0.005698 4C 1dyz 0.015360 -0.026085 -0.004868 0.019577 -0.010116 -0.000765 4C 1dx2y2 -0.002591 0.020527 0.015355 -0.013813 0.015162 -0.008583 4C 1dxy -0.000274 0.022786 0.002461 0.009741 -0.016971 0.008435 4C 2dz2 0.253898 -0.098883 0.167892 0.351980 0.068573 0.128557 4C 2dxz 0.139557 0.458515 -0.132782 0.027987 0.006352 -0.187764 4C 2dyz 0.511090 -0.148881 -0.002911 -0.191146 -0.236837 -0.235893 4C 2dx2y2 -0.243162 -0.039843 -0.257513 -0.144000 0.241568 -0.079406 4C 2dxy 0.022411 0.041024 -0.247842 0.035215 0.314953 0.004246 4C 1f0 -0.005736 -0.003490 0.006646 0.012234 0.017088 0.011390 4C 1f+1 -0.010661 0.013893 0.019018 0.025924 0.018818 0.006819 4C 1f-1 0.026231 0.023237 0.010700 0.014925 0.005150 0.001814 4C 1f+2 -0.010200 -0.033704 -0.007963 -0.007719 0.015341 0.011273 4C 1f-2 0.002633 -0.006344 -0.002527 0.000661 -0.007250 0.006378 4C 1f+3 0.013599 0.022109 0.003228 -0.011073 -0.023435 -0.016182 4C 1f-3 -0.021128 0.027775 0.026682 0.012928 -0.024847 0.008787 5C 1s -0.004487 -0.000114 -0.002163 -0.003310 -0.000298 -0.000725 5C 2s -0.014852 0.001825 -0.012088 -0.011184 -0.000028 -0.003176 5C 3s 0.181170 0.213283 0.277698 0.055887 0.189533 0.019013 5C 4s -0.650542 -1.528643 -0.894084 0.009120 -1.084496 -0.050862 5C 5s -1.351820 -1.405633 1.010347 -0.520531 -0.785335 0.002975 5C 1pz -0.100890 0.011627 0.091807 0.061002 -0.005677 0.071595 5C 1px -0.033852 -0.029007 0.070786 -0.079678 -0.012083 -0.132659 5C 1py 0.097727 0.001663 -0.024430 0.001877 -0.018777 -0.002797 5C 2pz 0.407044 -0.081463 -0.323954 -0.021494 -0.089822 -0.125404 5C 2px 0.247506 -0.328286 -0.618300 0.078724 -0.069282 0.173800 5C 2py -0.549198 0.039149 0.253324 -0.128958 0.262328 -0.066908 5C 3pz -1.199168 0.555403 -0.167262 -0.297267 -0.098590 0.231314 5C 3px -0.748155 -0.204653 -0.312568 -0.462168 -0.089650 -0.157171 5C 3py 1.875359 -0.756672 0.510925 0.579998 0.127782 -0.150247 5C 1dz2 0.015817 -0.005883 -0.003851 -0.025967 -0.009353 -0.005723 5C 1dxz -0.007411 -0.009681 0.025232 0.006523 -0.003426 0.027509 5C 1dyz 0.005009 0.015755 -0.028605 0.033242 0.013728 0.014400 5C 1dx2y2 0.027350 0.038887 -0.036003 -0.001073 0.016407 0.017446 5C 1dxy 0.019774 -0.002188 -0.023210 -0.018676 0.015903 -0.034833 5C 2dz2 -0.180639 -0.120630 0.443208 0.149253 0.072341 0.087825 5C 2dxz -0.169500 0.069680 0.168340 -0.028561 0.087052 -0.037579 5C 2dyz 0.490329 0.275298 -0.334978 0.091544 0.151029 0.076612 5C 2dx2y2 0.297359 -0.136531 -0.485904 0.323469 -0.046518 0.233074 5C 2dxy 0.169957 -0.367174 0.024111 -0.290965 0.043481 -0.241561 5C 1f0 0.028281 -0.015438 -0.017571 -0.020411 0.000730 -0.020799 5C 1f+1 0.009625 0.021278 0.012350 0.012186 0.016462 0.012732 5C 1f-1 0.011065 -0.019522 -0.027272 -0.017668 -0.000611 -0.020853 5C 1f+2 0.003239 -0.011538 0.000557 0.006106 -0.012148 0.015911 5C 1f-2 -0.001093 -0.025258 -0.004369 0.014846 -0.017796 0.019400 5C 1f+3 0.001238 0.030924 -0.000569 -0.008706 0.015049 -0.002630 5C 1f-3 -0.006579 -0.017592 0.004788 0.006918 -0.020324 -0.003569 6C 1s -0.001712 -0.001306 0.002437 -0.003208 0.000031 -0.000599 6C 2s -0.005360 -0.002243 0.013074 -0.010780 -0.000813 -0.002870 6C 3s 0.143004 0.215591 -0.269106 0.064844 -0.183358 0.008704 6C 4s -0.863413 -1.357999 0.797103 -0.061807 1.085753 -0.004380 6C 5s -1.531384 -1.291857 -1.083874 -0.577068 0.766151 0.048587 6C 1pz 0.114697 -0.016043 0.091419 -0.061895 -0.000363 -0.073539 6C 1px 0.029015 0.023684 0.069190 0.080541 -0.026614 0.131713 6C 1py -0.131590 0.011186 -0.024537 -0.003448 -0.017883 -0.000202 6C 2pz -0.446796 0.077761 -0.308070 0.031263 -0.099347 0.124986 6C 2px 0.094356 0.239128 -0.593560 -0.063795 -0.063437 -0.165757 6C 2py 0.513276 -0.016256 0.230858 0.119931 0.261033 0.087355 6C 3pz 1.391475 -0.642282 -0.188206 0.299619 -0.040928 -0.233172 6C 3px 0.985378 0.119429 -0.307941 0.473872 -0.100991 0.158284 6C 3py -2.172994 0.905330 0.535681 -0.599218 0.067658 0.139876 6C 1dz2 0.015397 -0.005524 0.003575 -0.026456 0.009144 -0.005274 6C 1dxz -0.007675 -0.010359 -0.026094 0.006743 0.000843 0.028065 6C 1dyz 0.010036 0.013006 0.028872 0.034060 -0.014106 0.013284 6C 1dx2y2 0.032863 0.034983 0.037424 0.000425 -0.019532 0.016387 6C 1dxy 0.016373 -0.001497 0.023676 -0.017893 -0.011504 -0.036350 6C 2dz2 -0.050362 -0.174485 -0.442306 0.160427 -0.082546 0.091058 6C 2dxz -0.212018 0.088061 -0.152904 -0.028701 -0.084060 -0.047278 6C 2dyz 0.443230 0.271714 0.341889 0.099077 -0.155385 0.063665 6C 2dx2y2 0.245322 -0.116787 0.468760 0.321202 0.025653 0.226944 6C 2dxy 0.270697 -0.400602 -0.038813 -0.287701 -0.011503 -0.236970 6C 1f0 -0.029046 0.015454 -0.017005 0.020594 -0.000877 0.020941 6C 1f+1 -0.019734 -0.016146 0.011559 -0.013462 0.018245 -0.012086 6C 1f-1 -0.011351 0.019758 -0.026500 0.018039 -0.001554 0.021573 6C 1f+2 -0.010661 0.014347 0.001282 -0.006155 -0.010393 -0.017010 6C 1f-2 -0.003633 0.025364 -0.002473 -0.013689 -0.015560 -0.020337 6C 1f+3 -0.003923 -0.028709 -0.002124 0.007809 0.015563 0.002974 6C 1f-3 0.005202 0.017100 0.006153 -0.005828 -0.021404 0.001836 7C 1s 0.003632 -0.002200 -0.001298 0.005141 0.000504 0.000797 7C 2s 0.012266 -0.005694 -0.003939 0.016077 -0.000581 0.000589 7C 3s -0.064029 0.287943 -0.153631 0.076822 0.118182 0.123942 7C 4s 0.048665 -1.688181 0.983553 -1.069197 -0.573938 -0.770667 7C 5s 1.000673 -1.581113 0.264830 -0.018733 0.396690 0.030788 7C 1pz -0.091262 0.015666 0.002690 -0.034951 0.024978 -0.026765 7C 1px -0.020557 0.077386 0.034071 0.048455 0.015300 0.055375 7C 1py -0.114354 0.002699 -0.019334 0.049764 -0.062573 0.051793 7C 2pz 0.556913 -0.004793 -0.185597 0.391785 0.020559 0.214775 7C 2px 0.119727 0.022697 -0.619669 -0.361120 0.155244 -0.324223 7C 2py 0.536387 0.184570 -0.203799 0.003206 0.322169 -0.161685 7C 3pz -1.902519 0.084681 -0.138946 -0.407617 0.370439 0.493340 7C 3px -0.340219 0.405008 -0.279440 -0.397158 0.101903 -0.258868 7C 3py -1.387089 0.212321 -0.257824 -0.361491 0.189625 0.307502 7C 1dz2 0.025989 -0.021617 0.002810 -0.017663 0.008810 0.012710 7C 1dxz 0.011535 0.004542 -0.007452 -0.011474 0.009310 0.006975 7C 1dyz 0.006500 -0.024183 0.003690 0.019977 0.011119 0.001170 7C 1dx2y2 -0.000541 0.020484 -0.014279 -0.013784 -0.014141 -0.010075 7C 1dxy 0.002836 0.023069 -0.003095 0.008821 0.014740 0.009807 7C 2dz2 0.244467 -0.097901 -0.157173 0.360710 -0.056409 0.128930 7C 2dxz 0.069368 0.468737 0.137278 0.030335 0.005069 -0.182961 7C 2dyz 0.464362 -0.137366 0.001591 -0.194978 0.243841 -0.211945 7C 2dx2y2 -0.311183 -0.032857 0.243812 -0.136732 -0.232674 -0.102192 7C 2dxy -0.151667 0.088003 0.238879 0.044666 -0.316521 -0.028034 7C 1f0 0.007067 0.002964 0.006499 -0.012856 0.017767 -0.010686 7C 1f+1 0.006198 -0.013171 0.017976 -0.026454 0.017469 -0.005609 7C 1f-1 -0.024482 -0.022292 0.010032 -0.015662 0.005465 -0.001561 7C 1f+2 0.018418 0.031042 -0.006098 0.006677 0.018181 -0.010027 7C 1f-2 -0.003892 0.007766 -0.002989 -0.000386 -0.007227 -0.006932 7C 1f+3 -0.018549 -0.020294 0.003383 0.011531 -0.023613 0.013603 7C 1f-3 0.006812 -0.025369 0.026237 -0.011548 -0.023867 -0.010722 8C 1s -0.013250 -0.001974 -0.010368 -0.004670 0.004036 -0.000648 8C 2s -0.045265 -0.006208 -0.039035 -0.017209 0.013691 -0.002438 8C 3s 0.260139 -0.011671 0.287910 0.125426 -0.093675 0.011011 8C 4s 0.233830 0.182845 -0.063553 -0.095835 0.031401 0.055862 8C 5s -0.545324 1.568921 2.177688 0.137684 -0.442371 0.216300 8C 1pz -0.166559 -0.102177 -0.244661 0.029961 0.032283 0.063734 8C 1px -0.034416 0.133801 -0.007755 0.076757 0.032935 0.059570 8C 1py 0.169427 0.010474 0.072673 0.124030 -0.049625 0.054923 8C 2pz 0.175475 0.304358 0.488851 -0.130601 -0.036254 -0.207138 8C 2px -0.144997 -0.424652 -0.154740 -0.226579 -0.029907 -0.114476 8C 2py 0.180500 0.100215 0.151690 -0.234520 0.015463 -0.094602 8C 3pz -0.214824 -0.159682 -0.576155 -0.059750 0.103175 0.059596 8C 3px 0.137894 -0.173374 -0.092045 0.103883 0.091086 0.064871 8C 3py -0.073350 0.429767 0.451168 0.054650 -0.121728 0.106143 8C 1dz2 0.012870 0.016625 0.004877 0.022526 -0.009998 0.005905 8C 1dxz -0.017859 -0.023646 -0.031065 -0.018529 0.008588 -0.007135 8C 1dyz 0.043573 -0.003591 0.036228 -0.001677 -0.011923 -0.002454 8C 1dx2y2 0.034784 0.024920 0.047656 0.004344 -0.009306 -0.016677 8C 1dxy 0.031746 0.032171 0.044910 0.023356 -0.018377 0.008965 8C 2dz2 -0.192805 -0.181897 -0.217642 0.007452 0.027470 0.019677 8C 2dxz 0.064195 0.163475 0.064530 0.223929 -0.018344 0.164612 8C 2dyz -0.170879 0.121286 0.031910 -0.018403 0.040978 -0.016394 8C 2dx2y2 -0.160963 -0.062842 -0.204457 0.101452 0.019936 0.095537 8C 2dxy -0.190206 -0.248650 -0.263950 -0.120947 0.036598 -0.028170 8C 1f0 -0.019229 -0.050053 -0.061360 -0.021896 0.012986 0.013254 8C 1f+1 -0.014081 -0.044144 -0.031826 -0.020349 0.008813 0.011650 8C 1f-1 -0.034094 0.001584 -0.037701 0.002076 0.010914 -0.004566 8C 1f+2 0.111126 0.033908 0.104492 0.048662 -0.032506 0.014021 8C 1f-2 0.070769 0.038494 0.076410 0.025815 -0.020269 -0.015897 8C 1f+3 -0.012407 0.003380 0.002689 0.008083 -0.003823 0.006019 8C 1f-3 -0.000612 0.033909 -0.008281 0.005804 0.000137 0.000481 9C 1s 0.010448 -0.005410 0.000663 0.002591 0.003830 -0.000103 9C 2s 0.035248 -0.018111 0.000716 0.009480 0.014973 -0.000584 9C 3s -0.194947 0.074323 -0.009950 -0.105376 -0.120746 -0.034133 9C 4s -0.236225 0.136177 0.064544 0.230579 0.078689 0.240335 9C 5s 0.567815 0.883352 0.325803 0.064460 -1.089009 -0.590185 9C 1pz 0.110691 -0.104540 0.010182 0.148982 -0.035089 0.091422 9C 1px -0.024281 0.106061 0.038340 -0.056628 -0.029765 -0.097023 9C 1py 0.157057 -0.019802 0.013645 -0.089430 0.183495 -0.082774 9C 2pz 0.232135 0.088610 -0.038059 -0.376298 0.193292 -0.318265 9C 2px 0.235198 -0.403153 -0.143927 0.146027 0.148131 0.254660 9C 2py -0.085936 -0.036903 -0.030712 0.255698 -0.407504 0.137165 9C 3pz -0.059667 -0.271599 -0.097276 0.025602 0.171422 0.176567 9C 3px -0.264741 -0.049193 0.074069 -0.090732 -0.031807 0.053641 9C 3py 0.063716 -0.163434 0.006510 -0.094016 0.332406 -0.076739 9C 1dz2 0.018575 -0.021295 0.004757 0.011700 0.003671 0.000745 9C 1dxz 0.021880 -0.045969 -0.005763 0.009109 0.027648 0.010618 9C 1dyz 0.038067 -0.021052 0.000174 -0.003925 0.021835 -0.004636 9C 1dx2y2 -0.014705 0.005537 0.010202 -0.013805 -0.017715 -0.020244 9C 1dxy 0.010815 -0.018496 0.004494 0.016262 0.001298 0.016869 9C 2dz2 -0.189074 0.018542 0.002798 0.186359 -0.165772 0.156318 9C 2dxz -0.183640 0.275169 0.085693 -0.067640 -0.188978 -0.121259 9C 2dyz -0.171267 0.065473 0.013679 -0.009968 0.019059 0.079244 9C 2dx2y2 -0.018168 -0.054516 -0.016835 0.150269 -0.092362 0.112135 9C 2dxy -0.118248 0.165702 0.056833 -0.124402 -0.002450 -0.148789 9C 1f0 0.029336 -0.025015 -0.003841 0.010524 0.010108 0.028457 9C 1f+1 0.002719 -0.011685 -0.006759 -0.001665 0.005042 0.003067 9C 1f-1 0.041649 -0.005411 0.008436 -0.000519 -0.000987 -0.016761 9C 1f+2 -0.055307 0.073488 0.009951 -0.027959 -0.041663 -0.010731 9C 1f-2 0.047531 -0.014422 -0.005767 0.000516 0.021961 -0.011693 9C 1f+3 -0.046793 0.061395 0.008913 -0.010439 -0.044311 0.005364 9C 1f-3 -0.007456 -0.022854 -0.004015 0.013264 0.003036 0.015847 10H 1s -0.132665 0.162441 -0.034469 -0.060493 0.127888 -0.038089 10H 2s 0.374552 -0.380051 0.049769 0.116447 -0.217388 0.050903 10H 3s -0.278279 0.130076 -0.038094 -0.130007 0.036800 -0.030676 10H 1pz -0.011454 -0.032660 0.019473 -0.012888 -0.048448 0.013056 10H 1px -0.036403 -0.046855 0.005717 0.042877 -0.010277 0.074521 10H 1py -0.010100 -0.054559 0.012282 0.108781 0.093654 0.116097 11H 1s -0.131833 0.022998 0.006288 -0.012440 0.025530 0.004341 11H 2s 0.274710 -0.094375 -0.023248 0.116839 -0.020537 -0.004124 11H 3s 0.142302 -0.086911 0.064159 0.014174 -0.260134 -0.071581 11H 1pz -0.089794 0.118716 -0.020863 -0.020078 0.097238 -0.049125 11H 1px -0.025655 -0.089882 0.008617 0.071941 0.020795 0.091093 11H 1py -0.111999 0.043752 -0.017432 0.099105 0.174784 0.090149 12H 1s -0.150295 0.106930 -0.001578 0.008584 0.053705 0.067306 12H 2s 0.407292 -0.220119 0.014059 -0.024070 -0.209761 -0.133026 12H 3s -0.032989 -0.060386 0.063483 0.202484 0.054803 0.252555 12H 1pz -0.053315 0.154753 -0.036324 -0.154301 -0.087278 -0.123513 12H 1px -0.022203 -0.102636 0.017288 0.027704 -0.054078 0.070356 12H 1py 0.006054 0.060368 -0.006667 -0.024042 0.016186 -0.038112 13H 1s 0.168519 0.143157 -0.223925 0.085533 0.069646 -0.027852 13H 2s -0.432391 -0.329749 0.487744 -0.121468 -0.147003 0.115264 13H 3s 0.264946 0.071644 -0.153984 0.124827 0.017636 -0.002685 13H 1pz -0.003030 -0.014336 -0.043318 -0.059656 0.008894 -0.037873 13H 1px 0.025369 -0.085364 -0.007890 -0.075411 0.021432 -0.075024 13H 1py 0.004901 0.078031 -0.066479 -0.031956 -0.015867 -0.034133 14H 1s 0.130740 0.079760 -0.175179 0.051808 0.052126 0.001536 14H 2s -0.373086 -0.160133 0.424410 -0.141171 -0.128980 -0.049075 14H 3s 0.074053 -0.108917 0.016282 -0.135651 0.054483 -0.137449 14H 1pz 0.014053 0.154759 -0.081602 0.027972 -0.007355 0.002960 14H 1px -0.013329 -0.103454 0.044122 -0.041197 0.007818 -0.033936 14H 1py -0.034490 -0.086172 0.018915 -0.155699 -0.004027 -0.102875 15H 1s 0.084626 0.002036 -0.121740 0.035819 0.035643 0.037905 15H 2s -0.159399 0.007916 0.234665 -0.184138 -0.075872 -0.108679 15H 3s -0.221178 -0.066689 0.363824 -0.055612 -0.039745 0.062029 15H 1pz 0.129255 0.134185 -0.212308 -0.019407 0.017916 -0.035331 15H 1px 0.070224 -0.077619 -0.058175 -0.097186 0.022103 -0.083396 15H 1py -0.130339 -0.130426 0.163307 -0.002785 -0.016685 0.017373 16H 1s -0.003832 -0.100270 -0.004759 0.014327 0.009274 0.071945 16H 2s 0.009713 0.298890 0.040301 -0.026122 -0.043689 -0.203627 16H 3s -0.049434 -0.137488 -0.039424 0.015644 -0.006063 0.084758 16H 1pz 0.012081 0.078001 -0.009818 -0.016138 -0.011841 -0.058701 16H 1px -0.034643 -0.007249 0.046394 0.033630 0.106460 0.004412 16H 1py -0.036587 0.050538 0.035661 0.015552 0.101852 -0.014039 17H 1s 0.004822 -0.106473 -0.031582 -0.011450 0.029942 0.076194 17H 2s -0.022139 0.300486 0.065479 0.021286 -0.083256 -0.244840 17H 3s 0.059894 -0.145341 -0.053026 -0.036265 0.027853 0.044063 17H 1pz 0.000365 -0.089977 -0.102725 -0.019580 0.073147 0.014597 17H 1px 0.033252 0.090681 0.272316 -0.017608 -0.015961 0.141723 17H 1py 0.031196 0.233145 0.284559 0.005572 -0.052642 0.031464 18H 1s -0.009923 -0.099574 0.023094 -0.009720 -0.037369 0.073325 18H 2s 0.049001 0.270736 -0.041082 0.016058 0.107264 -0.237190 18H 3s 0.017097 -0.127970 0.041411 -0.036279 -0.033588 0.040945 18H 1pz -0.002655 0.100382 -0.104559 0.015287 0.073860 -0.007932 18H 1px -0.010675 -0.110293 0.276232 0.018920 0.005658 -0.146017 18H 1py -0.035945 -0.234972 0.275623 -0.003005 -0.041089 -0.040594 19H 1s -0.025274 -0.092295 -0.002437 0.015094 -0.013515 0.070139 19H 2s 0.053858 0.283183 -0.020693 -0.029030 0.054002 -0.196181 19H 3s -0.069503 -0.126086 0.028728 0.013396 0.001782 0.080747 19H 1pz -0.024127 -0.067789 -0.016426 0.016354 -0.012723 0.054213 19H 1px -0.035231 0.022455 0.042930 -0.036540 0.095509 0.007144 19H 1py -0.019959 -0.038628 0.028343 -0.018520 0.091880 0.026769 20H 1s 0.134140 -0.019652 0.121433 0.039853 -0.039734 0.035903 20H 2s -0.271740 0.052000 -0.232108 -0.192097 0.080592 -0.104491 20H 3s -0.175879 -0.084333 -0.363786 -0.053291 0.026065 0.070329 20H 1pz -0.116125 -0.138365 -0.215393 0.020981 0.013559 0.039208 20H 1px -0.050046 0.073051 -0.055602 0.097525 0.010316 0.084830 20H 1py 0.121136 0.133105 0.166726 0.003502 -0.016438 -0.020239 21H 1s 0.154092 0.060091 0.176508 0.057299 -0.046710 0.001145 21H 2s -0.414249 -0.122636 -0.426628 -0.152597 0.122869 -0.044107 21H 3s 0.057273 -0.111686 -0.022880 -0.135597 -0.032458 -0.137546 21H 1pz -0.007881 -0.158164 -0.086121 -0.027133 -0.005130 -0.001839 21H 1px 0.009543 0.105347 0.047224 0.040817 0.002642 0.033857 21H 1py 0.062830 0.072566 0.020958 0.160107 -0.013573 0.103573 22H 1s 0.160937 0.144320 0.228939 0.088637 -0.061000 -0.035460 22H 2s -0.454123 -0.312236 -0.498074 -0.131253 0.124655 0.127303 22H 3s 0.288954 0.058926 0.152366 0.125458 -0.013561 -0.006018 22H 1pz 0.023346 0.006191 -0.043461 0.061493 0.004335 0.039810 22H 1px -0.013549 0.084252 -0.005500 0.074616 0.009368 0.074956 22H 1py 0.014248 -0.086231 -0.069090 0.033533 -0.016850 0.034132 23H 1s -0.095247 0.094778 0.004118 0.005082 -0.059676 0.057265 23H 2s 0.304282 -0.197146 -0.021402 -0.020313 0.226011 -0.104539 23H 3s -0.009521 -0.058977 -0.069271 0.205063 -0.068004 0.244978 23H 1pz 0.016944 -0.143133 -0.039375 0.159876 -0.089500 0.117648 23H 1px -0.002893 0.103962 0.019357 -0.023595 -0.049038 -0.072210 23H 1py 0.004187 -0.060618 -0.008103 0.023780 0.010506 0.038776 24H 1s -0.090993 0.018824 -0.005678 -0.016492 -0.028086 -0.001046 24H 2s 0.188315 -0.088588 0.021710 0.127243 0.031927 0.007321 24H 3s 0.191699 -0.097980 -0.069631 0.006488 0.262629 -0.043656 24H 1pz 0.104419 -0.119037 -0.024719 0.017923 0.090443 0.058026 24H 1px 0.013648 0.090524 0.009260 -0.071061 0.023084 -0.087063 24H 1py 0.137121 -0.050293 -0.018323 -0.103921 0.175594 -0.073722 25H 1s -0.128602 0.158626 0.043571 -0.061400 -0.124343 -0.053436 25H 2s 0.319672 -0.360987 -0.069955 0.122538 0.207961 0.079529 25H 3s -0.261954 0.121120 0.042788 -0.129252 -0.041556 -0.032298 25H 1pz -0.014162 0.036417 0.019193 0.014948 -0.044496 -0.015594 25H 1px 0.010075 0.051423 0.005464 -0.039681 -0.007916 -0.072056 25H 1py 0.021693 0.049898 0.013584 -0.111036 0.097817 -0.106755 26O 1s -0.007384 0.004291 -0.002943 -0.000745 0.003414 0.001490 26O 2s -0.019622 0.011229 -0.007129 -0.002570 0.008560 0.003618 26O 3s 0.031462 -0.026521 -0.011767 0.006910 -0.001991 -0.002079 26O 4s 0.559031 -0.312035 0.231486 0.067434 -0.241891 -0.085025 26O 5s -2.156660 1.666725 1.091533 -0.040561 -0.200459 0.319790 26O 1pz -0.089940 0.004096 0.012071 0.024024 0.068099 0.053463 26O 1px 0.059382 -0.019318 -0.028929 -0.014163 0.024138 -0.016161 26O 1py -0.017651 0.011149 0.015224 -0.045140 0.001281 -0.049008 26O 2pz 0.068418 -0.046725 -0.020987 -0.043460 -0.053886 -0.049154 26O 2px -0.086569 0.033992 -0.199162 -0.044804 0.091855 -0.002572 26O 2py -0.009127 -0.031188 -0.105131 0.003877 0.059331 0.032150 26O 3pz -0.847002 -0.084603 -0.023800 0.060271 0.244067 0.435771 26O 3px 0.376386 -0.837369 -0.645406 -0.124892 0.337416 -0.065696 26O 3py -0.385078 -0.187112 -0.418167 -0.140909 0.109526 0.038173 26O 1dz2 0.001321 -0.003067 0.001478 0.000564 0.003910 0.002963 26O 1dxz -0.000473 -0.002826 -0.000210 0.001201 0.003323 -0.000020 26O 1dyz -0.000974 0.000658 0.000519 0.002796 0.000978 0.001230 26O 1dx2y2 -0.000601 0.003910 -0.001065 0.001508 -0.001399 -0.000883 26O 1dxy -0.000910 -0.001379 0.001067 -0.000812 0.003763 0.002366 26O 2dz2 -0.046624 -0.030371 -0.053389 -0.141484 0.007342 -0.025367 26O 2dxz 0.163895 0.150319 -0.000847 -0.065153 -0.059022 -0.197485 26O 2dyz -0.214473 0.217817 0.008084 0.054368 0.063702 0.029257 26O 2dx2y2 -0.099018 0.173737 0.096308 0.039954 -0.114127 -0.009468 26O 2dxy -0.032906 0.059307 0.180691 0.049305 -0.035509 0.066670 26O 1f0 -0.002389 -0.000975 0.001019 -0.000814 -0.002800 -0.001768 26O 1f+1 0.001880 0.002441 0.003825 -0.006234 -0.008896 -0.005029 26O 1f-1 0.000657 0.001428 0.001043 -0.002445 -0.002774 -0.001183 26O 1f+2 0.003108 -0.002027 0.000867 -0.001475 -0.002535 -0.000877 26O 1f-2 -0.000827 0.002028 -0.002485 0.002945 0.001139 0.002078 26O 1f+3 0.001340 0.000338 0.002336 0.002464 -0.003551 0.000623 26O 1f-3 0.002025 -0.000293 0.005078 0.000860 0.002032 -0.001375 27O 1s 0.007435 0.001888 -0.008902 0.004714 0.001241 0.001911 27O 2s 0.019923 0.005162 -0.021912 0.012316 0.002943 0.004189 27O 3s -0.033623 -0.022725 0.006538 -0.014542 -0.009278 0.011587 27O 4s -0.546007 -0.116349 0.578725 -0.348877 -0.054317 -0.223954 27O 5s 1.786834 1.007445 0.296160 0.629144 0.747535 -0.059829 27O 1pz 0.041047 0.025475 -0.048825 0.027997 0.037572 0.021472 27O 1px -0.018368 0.006221 -0.003278 -0.003949 -0.012860 -0.013308 27O 1py -0.071321 0.022294 0.078817 0.033542 -0.024890 0.045326 27O 2pz -0.033326 -0.041355 0.068207 -0.041143 -0.040157 -0.021360 27O 2px 0.101767 -0.013582 -0.267563 0.146857 -0.079570 0.166183 27O 2py 0.043405 0.021753 -0.050045 -0.037874 0.061878 -0.062715 27O 3pz 0.555270 0.080992 -0.116157 0.183011 0.022273 -0.023279 27O 3px -0.033436 -0.746466 -0.587807 -0.211467 -0.361008 -0.278750 27O 3py -0.732100 0.524433 0.447377 -0.063929 -0.112840 0.182050 27O 1dz2 0.000502 0.001390 0.004575 -0.001564 -0.000922 -0.001368 27O 1dxz -0.000121 -0.004013 -0.002673 -0.001244 0.000033 -0.005070 27O 1dyz -0.001142 -0.001084 0.003871 0.001208 -0.003462 0.001489 27O 1dx2y2 0.000841 0.003964 0.000694 0.004122 -0.001513 0.004925 27O 1dxy -0.001592 0.001230 0.005823 0.003035 -0.004313 0.000682 27O 2dz2 0.031396 -0.023235 -0.067317 -0.120487 -0.085846 -0.117822 27O 2dxz -0.077457 -0.091729 0.054794 -0.051258 -0.014170 -0.114574 27O 2dyz -0.280299 -0.049715 0.097327 -0.048027 -0.089040 -0.000955 27O 2dx2y2 -0.062089 0.092050 0.022509 -0.077882 0.080019 0.013468 27O 2dxy -0.014207 -0.301361 -0.066058 -0.050829 -0.013571 -0.050863 27O 1f0 0.001053 0.000535 -0.004954 -0.000064 0.000455 -0.002091 27O 1f+1 0.000973 0.001828 0.002490 -0.008288 0.002592 -0.008422 27O 1f-1 -0.000264 0.000646 -0.000558 0.000492 0.000527 0.002329 27O 1f+2 -0.001988 0.000473 0.001344 -0.001759 0.001836 -0.000209 27O 1f-2 -0.002781 -0.001656 -0.000291 -0.002359 0.001463 -0.003827 27O 1f+3 -0.004048 0.002801 0.012716 0.002954 -0.002184 0.000344 27O 1f-3 -0.001366 0.000079 -0.005291 0.001529 -0.002438 0.004098 28O 1s -0.007624 0.002510 0.000226 -0.004630 0.003080 -0.002337 28O 2s -0.019878 0.007017 0.000120 -0.012107 0.008097 -0.006009 28O 3s 0.026533 -0.036861 0.006494 0.015672 -0.021735 0.012894 28O 4s 0.557855 0.010774 -0.050022 0.181237 -0.053967 -0.017080 28O 5s -1.942511 1.419929 -0.029432 0.383362 -0.081561 0.657831 28O 1pz -0.041904 0.060409 -0.041930 -0.058870 0.011162 -0.047362 28O 1px -0.074983 0.034684 -0.008816 -0.007446 -0.001821 -0.004701 28O 1py -0.063660 0.035063 0.011006 0.027432 0.072912 0.029326 28O 2pz 0.005782 -0.174590 0.006714 -0.052813 0.002788 -0.009072 28O 2px 0.102001 0.130345 -0.023981 0.102241 -0.015521 0.044723 28O 2py 0.043142 -0.060859 -0.031661 -0.030195 -0.040685 -0.031798 28O 3pz -0.729906 0.121393 0.020356 -0.704422 0.103762 -0.321205 28O 3px -0.505588 0.475482 0.062802 0.143821 -0.090889 0.173372 28O 3py -0.695770 0.368282 -0.116957 -0.076900 0.188663 0.123721 28O 1dz2 -0.002160 0.005020 0.000904 -0.002177 0.004989 -0.004946 28O 1dxz 0.001266 0.003791 -0.001114 -0.002475 -0.001776 -0.000957 28O 1dyz -0.003305 0.008011 0.001044 -0.003540 0.000551 -0.002181 28O 1dx2y2 0.001680 -0.005005 0.001494 -0.001243 -0.001239 0.000172 28O 1dxy -0.000089 0.001981 0.000743 0.002255 0.003661 -0.002250 28O 2dz2 0.026470 0.015983 0.041303 0.108781 0.036446 0.030712 28O 2dxz -0.054017 -0.011185 -0.008565 -0.254289 -0.042078 -0.101142 28O 2dyz -0.176794 0.122572 0.051523 -0.101986 -0.112802 -0.034776 28O 2dx2y2 -0.070454 -0.024932 0.075804 -0.021556 -0.032147 0.006854 28O 2dxy -0.236335 0.120418 -0.010954 0.083539 0.173995 0.055984 28O 1f0 0.001906 -0.001504 -0.000315 0.004079 -0.001184 0.005551 28O 1f+1 -0.001681 0.000973 0.002712 0.005424 -0.001092 0.004483 28O 1f-1 0.000163 -0.004105 -0.001987 -0.001798 0.000062 -0.001714 28O 1f+2 -0.004368 -0.003018 0.001808 -0.003450 0.003747 -0.003209 28O 1f-2 0.000322 0.003783 -0.001022 0.001557 -0.000417 0.002797 28O 1f+3 -0.002654 -0.002467 0.000881 -0.004374 -0.002365 -0.000864 28O 1f-3 -0.000665 0.001237 0.000176 0.000577 0.000547 0.001288 29O 1s -0.000090 -0.001759 -0.001545 0.000259 0.000329 0.001882 29O 2s -0.000227 -0.007809 -0.004519 0.000785 0.001615 0.007810 29O 3s -0.000746 0.100074 0.023922 -0.003377 -0.022211 -0.088233 29O 4s 0.010137 -0.252130 0.035574 0.016175 0.079509 0.266081 29O 5s -0.009585 -0.312035 -0.343920 -0.078940 -0.029187 -0.068225 29O 1pz 0.008850 -0.022858 0.011101 0.006235 -0.000158 0.001045 29O 1px 0.008108 0.018755 -0.009402 0.010292 -0.003751 -0.013356 29O 1py -0.000768 -0.060582 -0.032741 0.011216 -0.013032 0.032549 29O 2pz -0.008772 0.040648 -0.025816 -0.028199 0.056430 -0.012449 29O 2px -0.005401 -0.110956 -0.065501 -0.025621 0.028462 0.054611 29O 2py -0.003078 0.163644 0.050388 -0.002479 -0.016129 -0.108080 29O 3pz -0.015660 0.003375 0.044367 0.017836 -0.088418 0.027225 29O 3px 0.006885 0.138849 0.118915 0.050978 0.007359 0.030908 29O 3py 0.001239 -0.064101 -0.148249 -0.040616 -0.052303 -0.086964 29O 1dz2 0.000043 -0.001371 -0.000002 -0.000577 0.001982 0.000721 29O 1dxz -0.000373 0.000936 0.002500 0.000534 -0.000721 0.000913 29O 1dyz -0.000361 0.000583 0.000436 0.000638 0.000755 0.000827 29O 1dx2y2 0.000098 0.003496 0.001953 0.000752 -0.000035 0.001542 29O 1dxy -0.000445 0.000270 0.000470 -0.000851 -0.000227 -0.000188 29O 2dz2 0.027818 0.031178 0.080511 -0.004392 -0.065416 0.034635 29O 2dxz -0.051902 -0.042556 -0.039925 0.042788 0.114957 -0.021237 29O 2dyz -0.055617 -0.082142 -0.160126 0.016315 0.094018 -0.053090 29O 2dx2y2 -0.028607 -0.220866 -0.370724 -0.014250 -0.018453 -0.096086 29O 2dxy -0.024147 -0.012500 0.040858 0.013798 0.023536 0.013481 29O 1f0 0.000445 0.010725 -0.000904 -0.000444 -0.002330 -0.009366 29O 1f+1 -0.000021 -0.005015 0.000348 -0.000379 0.003159 0.004027 29O 1f-1 0.000360 0.014873 0.004594 -0.001147 0.000186 -0.008702 29O 1f+2 0.000186 -0.002072 0.003799 0.000099 -0.000336 0.003718 29O 1f-2 -0.001490 0.011703 0.005275 0.002824 -0.005170 -0.006646 29O 1f+3 0.000379 -0.004696 -0.002420 -0.000876 0.001723 0.001250 29O 1f-3 0.001130 -0.005800 -0.003592 -0.000541 0.002483 0.003225 30O 1s 0.008180 0.001714 -0.004681 0.000270 -0.000442 -0.003292 30O 2s 0.022196 0.004566 -0.011633 0.001028 -0.001312 -0.008339 30O 3s -0.051775 -0.027787 0.014331 -0.005073 -0.004153 0.013457 30O 4s -0.452680 0.082407 0.238953 -0.000313 0.045515 0.168622 30O 5s 1.891443 0.598208 -0.493060 0.531608 0.507617 -0.115129 30O 1pz 0.031976 0.019866 -0.088199 -0.014374 0.011725 -0.007304 30O 1px 0.075388 0.020686 -0.092711 0.006826 0.027693 -0.002961 30O 1py -0.048654 -0.068603 0.092168 -0.066899 -0.014604 -0.036752 30O 2pz -0.001628 -0.101379 0.035174 -0.037935 -0.067694 -0.051101 30O 2px -0.069085 0.086293 0.063309 0.061881 0.045845 0.093908 30O 2py 0.018650 0.133389 -0.044343 0.074897 0.080674 0.074569 30O 3pz 0.432400 0.043088 -0.247701 0.154957 -0.116245 0.058695 30O 3px 0.709539 0.304141 -0.215326 0.142141 0.263037 -0.096672 30O 3py -0.634742 -0.057854 0.386351 -0.557120 0.099494 -0.347572 30O 1dz2 -0.000630 -0.001310 0.001225 0.001565 0.000689 -0.000059 30O 1dxz 0.001219 0.006121 -0.002274 0.000964 -0.001850 0.003799 30O 1dyz -0.002913 -0.006990 0.007268 -0.001796 -0.003361 0.000369 30O 1dx2y2 -0.000748 -0.006143 0.009406 -0.005469 -0.001801 -0.006089 30O 1dxy 0.000969 -0.003980 0.000057 -0.005947 -0.001641 -0.002929 30O 2dz2 -0.179910 -0.035869 0.113339 0.092409 -0.068891 0.076437 30O 2dxz 0.134721 0.119971 -0.069839 -0.035581 -0.062357 -0.011883 30O 2dyz -0.158728 -0.113725 -0.001568 0.036282 -0.056849 0.095638 30O 2dx2y2 0.106008 0.004299 -0.100127 0.031257 0.048271 0.014968 30O 2dxy -0.109377 0.016900 -0.007180 -0.241089 0.021598 -0.129801 30O 1f0 -0.001578 0.003884 -0.000904 0.002899 0.002866 0.006477 30O 1f+1 0.000255 -0.000373 0.001022 0.001437 0.001645 0.000314 30O 1f-1 -0.000292 -0.000437 -0.000319 0.001008 0.001871 0.001178 30O 1f+2 0.000392 0.000579 -0.002828 0.002641 0.003561 0.003360 30O 1f-2 0.002752 -0.001553 -0.004245 -0.003968 -0.003136 -0.005842 30O 1f+3 0.002435 0.000010 -0.000324 -0.001025 -0.000433 0.001896 30O 1f-3 0.001220 0.003473 -0.007120 0.001461 -0.001536 0.001233 31O 1s 0.009435 0.001334 0.004676 0.000295 0.000854 -0.003252 31O 2s 0.024760 0.003807 0.011610 0.001062 0.002386 -0.008233 31O 3s -0.038700 -0.032022 -0.015069 -0.004895 0.002212 0.014175 31O 4s -0.628058 0.146287 -0.233638 -0.004749 -0.068913 0.159441 31O 5s 2.087064 0.430077 0.542976 0.569935 -0.457431 -0.137731 31O 1pz -0.025031 -0.022974 -0.088690 0.014578 0.009804 0.008691 31O 1px -0.096379 -0.008972 -0.094647 -0.009474 0.027434 0.004554 31O 1py 0.051858 0.065294 0.092593 0.068899 -0.019011 0.034938 31O 2pz -0.022103 0.102710 0.040322 0.040702 -0.071684 0.046199 31O 2px 0.137954 -0.105365 0.058927 -0.062014 0.055854 -0.088506 31O 2py -0.010092 -0.127119 -0.050417 -0.079627 0.089612 -0.067988 31O 3pz -0.451990 -0.044925 -0.236668 -0.149938 -0.118821 -0.067913 31O 3px -0.776394 -0.242616 -0.239648 -0.159799 0.238367 0.111586 31O 3py 0.782390 0.009360 0.371221 0.558385 0.062960 0.351124 31O 1dz2 -0.000687 -0.001465 -0.001370 0.001651 -0.000581 -0.000012 31O 1dxz 0.000823 0.006165 0.002414 0.000935 0.001448 0.004050 31O 1dyz -0.003773 -0.006501 -0.007491 -0.002063 0.003342 0.000567 31O 1dx2y2 -0.001765 -0.005559 -0.009558 -0.005632 0.002559 -0.005837 31O 1dxy 0.000363 -0.003768 -0.000205 -0.006019 0.001884 -0.002693 31O 2dz2 -0.186811 -0.032871 -0.118405 0.090528 0.058274 0.082877 31O 2dxz 0.081110 0.141933 0.067983 -0.039681 0.067904 -0.005924 31O 2dyz -0.185618 -0.092075 -0.005711 0.030518 0.046431 0.095047 31O 2dx2y2 0.116833 -0.005106 0.099566 0.035294 -0.049389 0.011465 31O 2dxy -0.153233 0.027888 0.014185 -0.241514 -0.010261 -0.130105 31O 1f0 0.003147 -0.004025 -0.001008 -0.003018 0.003570 -0.006273 31O 1f+1 0.000354 0.000303 0.001053 -0.001524 0.001519 -0.000192 31O 1f-1 0.000869 0.000381 -0.000316 -0.001126 0.001915 -0.001164 31O 1f+2 -0.002267 0.000250 -0.002790 -0.002882 0.003977 -0.003107 31O 1f-2 -0.004630 0.001764 -0.004180 0.004086 -0.003612 0.005593 31O 1f+3 -0.002729 0.000211 -0.000260 0.001037 -0.000099 -0.001977 31O 1f-3 -0.002949 -0.002858 -0.007155 -0.001489 -0.001308 -0.001317 32O 1s -0.000229 -0.001788 0.001463 0.000351 -0.000463 0.001878 32O 2s -0.001071 -0.007662 0.004049 0.001099 -0.002176 0.007733 32O 3s 0.015615 0.092951 -0.016005 -0.005568 0.028706 -0.086189 32O 4s -0.040838 -0.222323 -0.060531 0.020103 -0.099183 0.257570 32O 5s -0.062683 -0.313754 0.334059 -0.078122 0.033129 -0.067485 32O 1pz -0.005669 0.020489 0.012526 -0.005922 -0.001439 -0.000417 32O 1px -0.004890 -0.018986 -0.011497 -0.009744 -0.005623 0.013550 32O 1py 0.009760 0.057707 -0.028848 -0.010981 -0.009901 -0.033163 32O 2pz -0.016461 -0.028543 -0.029473 0.025803 0.059640 0.013433 32O 2px 0.016053 0.107311 -0.056877 0.023318 0.034477 -0.053246 32O 2py -0.025082 -0.151377 0.036664 0.004246 -0.023795 0.105478 32O 3pz 0.059591 -0.022515 0.051031 -0.014648 -0.081169 -0.035551 32O 3px 0.003908 -0.141894 0.112735 -0.051932 0.010558 -0.031626 32O 3py 0.009258 0.064979 -0.143079 0.042521 -0.059309 0.082154 32O 1dz2 -0.000048 -0.001478 0.000022 -0.000462 -0.001959 0.000534 32O 1dxz -0.000253 0.000903 -0.002505 0.000525 0.000597 0.000977 32O 1dyz -0.000217 0.000477 -0.000470 0.000687 -0.000970 0.000847 32O 1dx2y2 0.000376 0.003486 -0.001837 0.000818 -0.000091 0.001572 32O 1dxy -0.000423 0.000500 -0.000580 -0.000853 0.000237 -0.000134 32O 2dz2 -0.006646 0.047298 -0.089292 -0.007564 0.057552 0.044729 32O 2dxz 0.015078 -0.058139 0.044881 0.045259 -0.098717 -0.035739 32O 2dyz -0.004811 -0.106746 0.168204 0.019584 -0.075242 -0.066301 32O 2dx2y2 -0.038994 -0.229484 0.361648 -0.013398 0.033273 -0.094355 32O 2dxy 0.000818 -0.016838 -0.036362 0.014309 -0.022546 0.008650 32O 1f0 -0.002535 -0.008681 -0.002075 0.000507 -0.002926 0.008541 32O 1f+1 0.000658 0.005278 0.000565 0.000311 0.003641 -0.004134 32O 1f-1 -0.004396 -0.013979 0.003554 0.001182 -0.000553 0.008894 32O 1f+2 0.000663 0.002288 0.003856 -0.000042 0.000152 -0.004173 32O 1f-2 0.000326 -0.010886 0.004508 -0.002584 -0.005804 0.006006 32O 1f+3 0.000134 0.004053 -0.001916 0.000761 0.001620 -0.000839 32O 1f-3 -0.000614 0.005671 -0.003357 0.000424 0.002834 -0.002881 33O 1s -0.006512 0.002178 0.000071 -0.004648 -0.002839 -0.002684 33O 2s -0.017541 0.006298 0.000629 -0.012140 -0.007497 -0.006922 33O 3s 0.032715 -0.037966 -0.007670 0.015469 0.020221 0.015150 33O 4s 0.420156 0.042255 0.032439 0.186416 0.053992 -0.006926 33O 5s -1.510351 1.340926 0.103168 0.348977 0.021288 0.639922 33O 1pz 0.037711 -0.056407 -0.041611 0.059693 0.008795 0.048842 33O 1px 0.047348 -0.029786 -0.011495 0.009628 -0.001598 0.005154 33O 1py 0.064377 -0.037181 0.010191 -0.027289 0.074131 -0.020236 33O 2pz 0.018055 0.168461 0.006150 0.050803 -0.000617 0.008469 33O 2px -0.069496 -0.138216 -0.019287 -0.103169 -0.009285 -0.045871 33O 2py -0.021672 0.058271 -0.030126 0.028790 -0.042834 0.025402 33O 3pz 0.683341 -0.108029 0.022873 0.698074 0.121224 0.331686 33O 3px 0.343815 -0.444224 0.031714 -0.128256 -0.082858 -0.176303 33O 3py 0.635795 -0.357080 -0.131289 0.077027 0.208929 -0.097059 33O 1dz2 -0.001945 0.004836 -0.000864 -0.002018 -0.004659 -0.005320 33O 1dxz 0.000890 0.003834 0.001014 -0.002488 0.001473 -0.000695 33O 1dyz -0.001169 0.007394 -0.000860 -0.003722 -0.000561 -0.002382 33O 1dx2y2 0.001240 -0.004910 -0.001373 -0.001177 0.001340 0.000494 33O 1dxy -0.000283 0.001870 -0.000626 0.002430 -0.003165 -0.002527 33O 2dz2 0.004263 0.022160 -0.037672 0.111737 -0.030654 0.029030 33O 2dxz -0.087925 -0.007836 0.002188 -0.252473 0.034284 -0.096379 33O 2dyz -0.105776 0.103056 -0.043943 -0.106593 0.112871 -0.024903 33O 2dx2y2 -0.018958 -0.030810 -0.070657 -0.026158 0.029786 0.009846 33O 2dxy -0.226984 0.114734 0.016167 0.088288 -0.169935 0.039203 33O 1f0 -0.001403 0.001292 -0.000232 -0.004016 -0.000757 -0.005521 33O 1f+1 0.001033 -0.001000 0.003005 -0.005378 -0.000564 -0.004433 33O 1f-1 0.001328 0.003970 -0.002248 0.001628 -0.000305 0.001585 33O 1f+2 0.003426 0.003204 0.001581 0.003431 0.003355 0.003590 33O 1f-2 -0.000567 -0.003772 -0.000940 -0.001611 0.000061 -0.002793 33O 1f+3 0.001756 0.002511 0.000713 0.004512 -0.002316 0.000713 33O 1f-3 0.000424 -0.001139 0.000202 -0.000656 0.000615 -0.001321 34O 1s 0.007026 0.001905 0.008908 0.004780 -0.001226 0.001729 34O 2s 0.018935 0.005275 0.021948 0.012468 -0.002794 0.003734 34O 3s -0.036988 -0.022332 -0.007689 -0.015074 0.006738 0.012269 34O 4s -0.521894 -0.113772 -0.577917 -0.351877 0.068640 -0.212737 34O 5s 2.406333 0.752062 -0.226474 0.688674 -0.715366 -0.088924 34O 1pz -0.063722 -0.016653 -0.048288 -0.030108 0.039967 -0.017926 34O 1px 0.048845 -0.020259 -0.002171 0.005904 -0.014865 0.013798 34O 1py 0.079018 -0.027422 0.078253 -0.031301 -0.018470 -0.045965 34O 2pz 0.048509 0.034220 0.069608 0.043084 -0.041515 0.017055 34O 2px -0.040325 -0.006222 -0.260805 -0.141714 -0.062377 -0.166912 34O 2py -0.065354 -0.009168 -0.053512 0.033173 0.053342 0.065077 34O 3pz -0.612105 -0.046713 -0.115675 -0.188309 0.006843 0.020631 34O 3px 0.348141 0.618502 -0.543343 0.244988 -0.399272 0.272528 34O 3py 0.717727 -0.523594 0.427770 0.063761 -0.065885 -0.197399 34O 1dz2 0.000759 0.001445 -0.004473 -0.001645 0.001070 -0.001330 34O 1dxz 0.000213 -0.003951 0.002524 -0.001314 0.000524 -0.005060 34O 1dyz -0.001100 -0.000833 -0.003949 0.001019 0.003228 0.001690 34O 1dx2y2 0.000903 0.003918 -0.000614 0.004044 0.000793 0.005019 34O 1dxy -0.000989 0.001202 -0.005772 0.002812 0.004165 0.001102 34O 2dz2 -0.044984 0.009186 0.063470 -0.128786 0.100232 -0.114805 34O 2dxz -0.101832 -0.069058 -0.053558 -0.057404 0.025159 -0.117821 34O 2dyz -0.259955 -0.052971 -0.099683 -0.050609 0.084302 0.007298 34O 2dx2y2 0.040070 0.047549 -0.013854 -0.070587 -0.089383 0.012330 34O 2dxy -0.006745 -0.303437 0.053189 -0.052787 0.022522 -0.050329 34O 1f0 -0.000631 -0.000534 -0.004978 -0.000001 0.000252 0.002100 34O 1f+1 -0.000486 -0.002179 0.002232 0.008243 0.001691 0.008607 34O 1f-1 0.000209 -0.000569 -0.000533 -0.000511 0.000901 -0.002240 34O 1f+2 0.000796 0.000093 0.001328 0.001572 0.001901 0.000228 34O 1f-2 0.002038 0.001907 -0.000307 0.002255 0.001093 0.003900 34O 1f+3 0.002425 -0.002464 0.012531 -0.002917 -0.002089 -0.000668 34O 1f-3 0.002422 -0.000332 -0.005146 -0.001404 -0.002038 -0.004298 35O 1s -0.008261 0.004641 0.002957 -0.000816 -0.003678 0.000987 35O 2s -0.022087 0.012092 0.007213 -0.002737 -0.009200 0.002369 35O 3s 0.034453 -0.025932 0.009949 0.007136 0.001826 -0.001773 35O 4s 0.584806 -0.335017 -0.229030 0.071176 0.264127 -0.051219 35O 5s -1.528637 1.551554 -0.974720 -0.069925 0.140581 0.330210 35O 1pz 0.064436 -0.000550 0.009397 -0.022658 0.070179 -0.043729 35O 1px -0.028137 0.015339 -0.029087 0.011764 0.021515 0.018157 35O 1py 0.014972 -0.009272 0.013791 0.045970 -0.002756 0.048707 35O 2pz -0.038552 0.041846 -0.014844 0.041757 -0.055773 0.041006 35O 2px 0.152685 -0.056863 -0.184755 0.045539 0.098882 0.015004 35O 2py 0.051774 0.018817 -0.096131 -0.005926 0.064853 -0.025116 35O 3pz 0.801442 0.080176 -0.033219 -0.058362 0.281276 -0.400085 35O 3px -0.053444 0.772205 -0.601994 0.108335 0.313648 0.100683 35O 3py 0.431220 0.186817 -0.410313 0.140150 0.101846 -0.020899 35O 1dz2 0.001383 -0.002901 -0.001293 0.000570 -0.004029 0.002455 35O 1dxz -0.000033 -0.002906 0.000204 0.001220 -0.003055 -0.000346 35O 1dyz 0.000391 0.000405 -0.000337 0.002642 -0.000821 0.001009 35O 1dx2y2 -0.001126 0.004109 0.000868 0.001487 0.001298 -0.000682 35O 1dxy -0.000895 -0.001213 -0.001195 -0.000762 -0.004094 0.001881 35O 2dz2 -0.086542 -0.022472 0.052323 -0.142153 -0.011020 -0.029009 35O 2dxz 0.143683 0.149381 0.005966 -0.064023 0.076785 -0.187255 35O 2dyz -0.210576 0.215291 -0.000589 0.055891 -0.063547 0.024074 35O 2dx2y2 0.016582 0.149967 -0.093781 0.032267 0.111551 0.000474 35O 2dxy 0.015497 0.062492 -0.175765 0.044959 0.023188 0.068047 35O 1f0 0.001494 0.001381 0.000858 0.000884 -0.003031 0.001439 35O 1f+1 -0.003625 -0.001611 0.003538 0.006365 -0.008998 0.004069 35O 1f-1 -0.000650 -0.001272 0.001031 0.002385 -0.002688 0.000847 35O 1f+2 -0.003836 0.002158 0.000895 0.001627 -0.002527 0.000676 35O 1f-2 0.002562 -0.002661 -0.002109 -0.002996 0.001494 -0.001984 35O 1f+3 -0.001651 -0.000275 0.002226 -0.002385 -0.003417 -0.001001 35O 1f-3 -0.002548 0.000961 0.004447 -0.001197 0.001462 0.001251 390 391 392 393 394 395 2.11299 2.11898 2.12093 2.12697 2.13053 2.14427 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s -0.003099 0.000802 -0.001918 -0.003314 0.000951 -0.001459 0Rh 2s 0.014300 -0.004582 0.010114 0.016713 -0.004252 0.008386 0Rh 3s -0.009505 0.001925 -0.005109 -0.009310 0.002997 -0.003471 0Rh 4s -0.071075 0.023029 -0.050419 -0.083916 0.021014 -0.042215 0Rh 5s 0.087260 -0.036244 0.070105 0.121543 -0.023155 0.066964 0Rh 6s 0.117544 -0.000822 0.049281 0.043687 -0.050108 -0.000778 0Rh 7s -0.517371 -0.093547 -0.289439 -0.150369 0.151471 0.023925 0Rh 8s 0.749977 0.098917 0.750008 -0.572468 -0.454863 -0.059462 0Rh 1pz -0.001703 -0.004424 -0.001764 -0.004517 0.000216 -0.006584 0Rh 1px 0.001171 -0.001808 0.001451 -0.002200 -0.006013 -0.002587 0Rh 1py 0.006044 0.007349 -0.004893 -0.010208 0.000964 0.003144 0Rh 2pz 0.005919 0.015270 0.006235 0.015892 -0.000162 0.022856 0Rh 2px -0.003253 0.006695 -0.004738 0.007248 0.020916 0.008171 0Rh 2py -0.021031 -0.025126 0.017385 0.035435 -0.003537 -0.010981 0Rh 3pz -0.001802 -0.003892 -0.004629 -0.010332 -0.012624 -0.007830 0Rh 3px -0.016396 -0.011361 -0.004632 0.005385 -0.008452 0.014339 0Rh 3py 0.009202 0.002031 -0.015203 -0.012576 0.005163 0.005575 0Rh 4pz -0.036234 -0.086521 -0.023793 -0.064814 0.054570 -0.125242 0Rh 4px 0.093032 0.000920 0.052641 -0.070102 -0.109340 -0.114634 0Rh 4py 0.103428 0.156765 -0.053512 -0.190480 0.003521 0.050667 0Rh 5pz 0.082313 0.153882 0.054062 0.111418 -0.111085 0.239116 0Rh 5px -0.218371 0.000521 -0.124656 0.133262 0.228979 0.214006 0Rh 5py -0.194350 -0.276388 0.094527 0.355800 -0.000091 -0.090667 0Rh 6pz 0.508802 -0.051105 -0.214239 0.515019 0.068431 -0.951872 0Rh 6px 1.115910 0.210810 0.506410 -0.607631 -0.442143 -0.770852 0Rh 6py 0.148221 1.039845 -0.200980 -0.436927 -0.665773 0.046611 0Rh 1dz2 -0.008122 -0.011390 -0.003951 0.003814 -0.008264 0.011358 0Rh 1dxz 0.003314 -0.008760 0.000176 0.009833 0.005422 -0.003670 0Rh 1dyz -0.003932 0.005876 0.001067 0.005377 -0.002212 0.003859 0Rh 1dx2y2 0.005417 0.005067 0.002597 -0.015579 -0.000670 -0.014772 0Rh 1dxy 0.008825 -0.002135 -0.005146 -0.010990 -0.006404 -0.004917 0Rh 2dz2 0.002082 0.002142 0.001178 0.000024 0.000777 -0.001345 0Rh 2dxz 0.002637 0.001725 0.000973 -0.000077 -0.001582 -0.001483 0Rh 2dyz 0.000968 0.002268 -0.000294 0.001240 -0.001772 -0.001403 0Rh 2dx2y2 -0.001948 -0.001008 -0.001769 0.001462 0.001460 0.001849 0Rh 2dxy -0.001528 0.000069 -0.000931 0.001145 -0.000542 -0.000018 0Rh 3dz2 0.011812 0.020098 0.005112 -0.010145 0.018430 -0.023587 0Rh 3dxz -0.020299 0.015145 -0.004816 -0.025455 -0.007286 0.015965 0Rh 3dyz 0.005971 -0.025447 -0.001446 -0.019523 0.013799 -0.003914 0Rh 3dx2y2 -0.005085 -0.008773 0.001140 0.034388 -0.004578 0.030310 0Rh 3dxy -0.016148 0.005405 0.017601 0.023530 0.019134 0.012992 0Rh 4dz2 0.035420 0.035470 0.018931 -0.000061 0.008550 -0.027040 0Rh 4dxz 0.037358 0.028840 0.016081 -0.002567 -0.024250 -0.014795 0Rh 4dyz 0.014142 0.031733 -0.005299 0.014584 -0.029914 -0.019988 0Rh 4dx2y2 -0.037677 -0.015256 -0.029590 0.022720 0.020802 0.035115 0Rh 4dxy -0.028222 -0.001932 -0.013108 0.023029 -0.005242 0.001380 0Rh 5dz2 -0.180859 -0.148447 -0.099539 0.039810 0.005465 0.189148 0Rh 5dxz -0.140967 -0.142470 -0.090237 0.045047 0.135466 -0.017133 0Rh 5dyz -0.033611 -0.064476 0.032291 0.024932 0.187054 0.052693 0Rh 5dx2y2 0.239499 0.065524 0.168614 -0.128953 -0.101566 -0.241278 0Rh 5dxy 0.183209 0.053585 0.051105 -0.158243 -0.005843 -0.036080 0Rh 1f0 -0.005346 -0.206174 0.004615 0.054885 -0.054021 -0.173735 0Rh 1f+1 0.105443 0.081996 -0.061767 -0.005753 -0.161425 -0.068370 0Rh 1f-1 -0.021913 0.171746 0.039616 0.167775 -0.097548 0.096102 0Rh 1f+2 -0.076906 -0.003446 0.120038 0.051690 0.056560 -0.066337 0Rh 1f-2 0.064648 -0.132871 -0.020909 0.029375 0.161046 0.065314 0Rh 1f+3 0.044689 -0.285785 0.124172 -0.004831 0.124800 0.051958 0Rh 1f-3 0.119692 0.073856 -0.228807 -0.013264 -0.094788 0.043261 1Rh 1s -0.003117 -0.000250 -0.001999 0.003336 0.000778 0.000984 1Rh 2s 0.014429 0.001846 0.010612 -0.016816 -0.003415 -0.004738 1Rh 3s -0.009531 -0.000345 -0.005282 0.009375 0.002491 0.002904 1Rh 4s -0.071731 -0.009412 -0.052932 0.084428 0.016818 0.023744 1Rh 5s 0.088470 0.018364 0.074342 -0.122135 -0.017299 -0.032396 1Rh 6s 0.116788 -0.017003 0.048018 -0.044838 -0.047007 -0.023377 1Rh 7s -0.507216 0.177873 -0.266435 0.154351 0.132442 0.043458 1Rh 8s 0.738822 -0.280582 0.715187 0.563305 -0.481284 0.121010 1Rh 1pz 0.001457 -0.004562 0.001271 -0.004683 0.000077 -0.006118 1Rh 1px -0.001257 -0.001227 -0.001724 -0.002090 0.006159 -0.001024 1Rh 1py -0.005359 0.007034 0.006499 -0.010117 -0.000450 0.004338 1Rh 2pz -0.005067 0.015737 -0.004547 0.016441 -0.000868 0.021246 1Rh 2px 0.003583 0.004784 0.005760 0.006858 -0.021454 0.002729 1Rh 2py 0.018667 -0.023975 -0.022900 0.035109 0.001731 -0.015012 1Rh 3pz 0.001555 -0.003721 0.004511 -0.009971 0.013317 -0.007416 1Rh 3px 0.015628 -0.012906 0.002677 0.005685 0.009356 0.016537 1Rh 3py -0.008565 0.000368 0.016118 -0.012231 -0.004117 0.004583 1Rh 4pz 0.031529 -0.090794 0.012946 -0.070077 -0.050602 -0.116229 1Rh 4px -0.092154 0.020819 -0.051552 -0.068633 0.109251 -0.085543 1Rh 4py -0.090248 0.156095 0.086415 -0.189808 0.004652 0.082282 1Rh 5pz -0.074008 0.164928 -0.034429 0.121266 0.104907 0.224517 1Rh 5px 0.216561 -0.044879 0.122212 0.129968 -0.229148 0.154989 1Rh 5py 0.170725 -0.276715 -0.153354 0.354212 -0.015249 -0.149461 1Rh 6pz -0.489139 -0.061516 0.188385 0.520126 -0.145214 -1.018131 1Rh 6px -1.084667 0.383468 -0.458031 -0.604047 0.443327 -0.692696 1Rh 6py -0.093598 1.026561 0.363382 -0.377820 0.622075 0.035955 1Rh 1dz2 -0.007093 0.011940 -0.002480 -0.004495 -0.008720 -0.009897 1Rh 1dxz 0.003866 0.008532 0.001442 -0.009378 0.005694 0.004253 1Rh 1dyz -0.004341 -0.005762 0.000326 -0.005513 -0.001723 -0.001393 1Rh 1dx2y2 0.005312 -0.005906 0.001521 0.015653 -0.000960 0.012314 1Rh 1dxy 0.008879 0.001633 -0.004820 0.010532 -0.006891 0.002023 1Rh 2dz2 0.001967 -0.002417 0.000850 0.000034 0.000935 0.000964 1Rh 2dxz 0.002516 -0.002055 0.000686 -0.000006 -0.001413 0.001499 1Rh 2dyz 0.000813 -0.002429 -0.000589 -0.001422 -0.001508 0.001424 1Rh 2dx2y2 -0.001866 0.001458 -0.001566 -0.001412 0.001389 -0.001845 1Rh 2dxy -0.001528 0.000163 -0.000867 -0.001290 -0.000422 0.000793 1Rh 3dz2 0.009664 -0.020296 0.002740 0.011692 0.018899 0.021348 1Rh 3dxz -0.021196 -0.013084 -0.006841 0.024630 -0.008745 -0.017599 1Rh 3dyz 0.007720 0.025863 0.001805 0.020714 0.011347 -0.002699 1Rh 3dx2y2 -0.005170 0.008936 0.003045 -0.034792 -0.003485 -0.023857 1Rh 3dxy -0.016299 -0.005132 0.016437 -0.021697 0.019883 -0.008743 1Rh 4dz2 0.033138 -0.040122 0.013618 0.000683 0.011293 0.022614 1Rh 4dxz 0.035374 -0.033910 0.011382 0.001280 -0.021938 0.015447 1Rh 4dyz 0.012060 -0.034018 -0.009516 -0.017820 -0.026327 0.020641 1Rh 4dx2y2 -0.036559 0.023047 -0.026308 -0.022219 0.019491 -0.034791 1Rh 4dxy -0.027979 0.005826 -0.011574 -0.024953 -0.003502 0.009675 1Rh 5dz2 -0.168407 0.173983 -0.077399 -0.039716 -0.005390 -0.174738 1Rh 5dxz -0.132108 0.167348 -0.067549 -0.038025 0.129932 0.018400 1Rh 5dyz -0.029251 0.071599 0.042334 -0.004031 0.182863 -0.061203 1Rh 5dx2y2 0.236017 -0.111625 0.153093 0.128800 -0.095139 0.222370 1Rh 5dxy 0.179102 -0.076209 0.037059 0.164954 -0.011523 -0.019462 1Rh 1f0 -0.015573 -0.208969 -0.031693 0.050879 0.047371 -0.156062 1Rh 1f+1 -0.087191 0.091434 0.066625 0.000990 0.155155 -0.074821 1Rh 1f-1 0.042021 0.178794 -0.023271 0.176189 0.086226 0.073424 1Rh 1f+2 0.086281 0.008301 -0.125071 0.045555 -0.060152 -0.077118 1Rh 1f-2 -0.083996 -0.138585 0.004726 0.022624 -0.153080 0.045889 1Rh 1f+3 -0.072286 -0.273740 -0.157675 -0.020096 -0.113442 0.029905 1Rh 1f-3 -0.128419 0.053612 0.240984 0.006702 0.088369 -0.038753 2C 1s -0.003258 -0.003042 -0.001874 -0.009263 0.002785 -0.004253 2C 2s -0.011384 -0.012625 -0.006436 -0.035508 0.013393 -0.015184 2C 3s 0.080445 0.127859 0.068952 0.292399 -0.127444 0.145673 2C 4s -0.138697 -0.178245 -0.227548 -0.314266 0.245337 -0.351690 2C 5s 1.292336 1.687664 0.268505 2.688447 1.130587 -0.827535 2C 1pz -0.024318 -0.014043 0.059659 0.152852 -0.052739 0.029925 2C 1px -0.005238 -0.087167 0.054010 -0.086092 -0.177639 -0.025988 2C 1py 0.100993 0.186532 -0.085247 0.037070 0.063644 0.061755 2C 2pz 0.046837 0.106725 -0.233260 -0.283217 0.265457 -0.174330 2C 2px 0.157195 0.281127 -0.136495 0.394747 0.457987 0.060737 2C 2py -0.261782 -0.424601 0.131140 0.044397 -0.108043 -0.311099 2C 3pz 0.242442 0.289053 0.118042 0.673494 0.225643 -0.161875 2C 3px 0.096921 0.007580 0.058903 -0.044814 0.075733 0.040940 2C 3py 0.250919 0.415420 -0.128785 0.426442 0.216772 -0.158625 2C 1dz2 -0.020308 -0.000071 0.018802 -0.031600 0.006675 0.015724 2C 1dxz -0.008249 -0.034519 0.010695 -0.065083 -0.012200 0.020692 2C 1dyz -0.016582 -0.016999 -0.013121 -0.023351 -0.002258 -0.024936 2C 1dx2y2 0.008317 0.035345 0.008433 0.029137 0.016318 -0.000308 2C 1dxy 0.006773 -0.008649 -0.031429 -0.039843 -0.006645 -0.006734 2C 2dz2 0.125929 0.119854 -0.148110 -0.047032 0.060393 -0.028474 2C 2dxz 0.042936 0.284173 -0.160099 0.364909 0.309104 -0.083954 2C 2dyz 0.029829 -0.086245 0.035871 0.050564 -0.117595 -0.058196 2C 2dx2y2 0.136023 0.052679 -0.107282 -0.099522 -0.016285 0.038904 2C 2dxy -0.031845 0.051679 0.108407 0.232423 0.094953 0.023211 2C 1f0 0.016077 0.032322 0.027674 0.057938 0.006059 0.006946 2C 1f+1 0.020311 0.002648 -0.015785 0.000670 0.001514 -0.003087 2C 1f-1 -0.017598 -0.013342 0.002157 -0.015722 -0.007690 0.014035 2C 1f+2 -0.049004 -0.050434 0.006507 -0.096242 0.017765 -0.012735 2C 1f-2 0.027589 0.014840 0.015423 0.059585 -0.041475 0.024592 2C 1f+3 -0.039037 -0.037001 -0.007367 -0.090144 0.035857 -0.025785 2C 1f-3 0.016351 0.017425 -0.011062 0.017719 0.022638 -0.013687 3C 1s -0.003427 -0.001135 -0.002893 0.005859 0.000033 -0.004663 3C 2s -0.012914 -0.002444 -0.009715 0.021583 -0.002525 -0.017411 3C 3s 0.062833 0.003731 0.144400 -0.201714 0.053497 0.129526 3C 4s 0.005286 0.006213 -0.541208 0.362250 -0.194915 -0.173949 3C 5s -0.127165 -0.762098 -0.493226 -0.475912 -0.866989 0.626993 3C 1pz -0.045280 0.001986 -0.100819 -0.133330 -0.039437 0.043156 3C 1px 0.156222 0.126484 -0.046206 -0.041084 -0.028612 -0.007919 3C 1py 0.008275 0.029975 -0.140396 0.022633 -0.055728 -0.022327 3C 2pz 0.079035 -0.013270 0.104459 0.412174 0.059421 -0.132942 3C 2px -0.329094 -0.361561 0.096133 0.119356 0.072029 0.099074 3C 2py -0.020343 -0.089053 0.527933 -0.039458 0.262233 0.103822 3C 3pz -0.001972 -0.098046 -0.256189 -0.068499 -0.062187 0.123556 3C 3px 0.106174 0.138647 -0.134727 -0.158640 -0.202872 0.083209 3C 3py 0.024202 0.180084 0.066314 0.082899 0.186438 -0.150398 3C 1dz2 0.005103 -0.001271 0.003392 0.011444 0.007746 0.027528 3C 1dxz 0.029925 0.027586 -0.011665 0.008258 -0.012513 0.004990 3C 1dyz 0.012509 0.010546 0.021476 -0.031808 -0.018854 0.001354 3C 1dx2y2 0.016809 0.002531 -0.015907 -0.010552 0.013146 0.020730 3C 1dxy 0.005217 0.000725 -0.019863 -0.001541 -0.000671 0.016627 3C 2dz2 0.046945 0.039928 0.094999 0.077840 0.037387 -0.039543 3C 2dxz -0.224556 -0.192158 0.086390 0.085183 0.055182 -0.007292 3C 2dyz -0.201416 -0.083743 -0.094378 -0.021283 0.035817 0.038594 3C 2dx2y2 -0.086049 -0.083561 0.296297 0.061362 0.051803 -0.029734 3C 2dxy 0.093902 0.135494 0.122560 -0.035604 -0.028267 -0.093055 3C 1f0 0.033649 0.002206 -0.009996 -0.024505 0.017333 0.033881 3C 1f+1 0.004821 -0.014285 0.000547 -0.013203 0.022037 0.024213 3C 1f-1 0.011999 -0.013074 0.027094 -0.022623 0.003464 0.021427 3C 1f+2 -0.040540 -0.005763 -0.002985 0.046575 -0.000030 -0.044235 3C 1f-2 -0.035074 0.007819 -0.004930 0.036800 -0.024179 -0.041860 3C 1f+3 0.013660 0.017283 -0.012489 0.005779 -0.011404 -0.003518 3C 1f-3 0.024677 0.018356 -0.004760 -0.000854 -0.013541 0.004973 4C 1s 0.003418 -0.002767 0.008488 0.000573 0.003209 0.012261 4C 2s 0.011335 -0.005596 0.027034 0.006002 0.013686 0.040458 4C 3s 0.249915 -0.223450 0.099328 0.009573 -0.293920 0.015001 4C 4s -2.141953 1.452820 -1.798931 -0.430055 1.300280 -1.822628 4C 5s -1.633890 -0.267447 -1.063639 -2.009514 0.564374 -1.232825 4C 1pz -0.031207 0.016170 0.001635 0.032264 -0.022995 -0.052419 4C 1px 0.169669 0.120626 -0.078475 -0.026995 -0.009020 -0.035182 4C 1py 0.008355 -0.048979 -0.017636 0.008743 -0.082227 -0.067179 4C 2pz -0.488520 0.294385 -0.664450 -0.380681 0.436764 -0.508869 4C 2px -0.228172 -0.418691 0.080090 0.681378 -0.101346 -0.297957 4C 2py -0.302818 0.328911 -0.311764 0.056470 0.390968 -0.342885 4C 3pz 0.219229 0.969091 -0.272792 0.687781 1.764905 -1.268221 4C 3px 0.281705 -0.093066 -0.108248 0.348915 0.085408 -0.329867 4C 3py 0.181215 0.482804 -0.031675 0.384308 0.986357 -0.703691 4C 1dz2 0.009286 -0.006101 -0.022403 -0.015124 -0.030890 -0.017119 4C 1dxz -0.049890 -0.018973 0.011816 -0.028067 -0.005010 0.000922 4C 1dyz -0.003451 -0.011802 0.006523 -0.028826 0.004703 0.005065 4C 1dx2y2 0.010238 0.013137 0.008863 0.030614 0.028356 0.022377 4C 1dxy -0.034867 -0.016990 0.007964 -0.013051 0.014851 0.021048 4C 2dz2 0.341504 0.067638 -0.180102 -0.513451 0.048698 0.231417 4C 2dxz 0.124214 -0.134865 0.240728 0.549371 0.168914 0.207380 4C 2dyz -0.182603 -0.181008 0.157178 -0.138408 -0.004587 -0.002914 4C 2dx2y2 -0.276107 0.354127 -0.380586 0.206825 0.300184 -0.373701 4C 2dxy -0.073467 0.360418 -0.232229 0.367809 0.339386 -0.181884 4C 1f0 0.017868 0.027403 0.027102 0.010334 0.011603 0.038754 4C 1f+1 0.035182 0.006631 0.014572 -0.005931 0.020669 0.055409 4C 1f-1 0.018675 -0.001771 0.019114 0.013711 0.005791 0.006849 4C 1f+2 -0.043515 0.025701 -0.001863 -0.049279 0.025565 -0.002973 4C 1f-2 0.026094 -0.003332 0.006331 0.017521 -0.002052 -0.004521 4C 1f+3 -0.025300 -0.015105 -0.002753 -0.029527 -0.007533 0.008039 4C 1f-3 -0.001394 -0.031759 0.036126 0.009910 0.019377 0.013943 5C 1s 0.003103 0.001884 0.004715 -0.007094 -0.009487 0.006638 5C 2s 0.008027 0.005410 0.014451 -0.025087 -0.030514 0.022721 5C 3s 0.451803 0.261432 0.176986 0.036671 -0.076348 0.161599 5C 4s -3.155079 -1.637632 -1.746029 0.892725 1.832122 -1.905120 5C 5s -1.635821 -0.431657 -0.930058 1.240943 0.748233 -1.769490 5C 1pz 0.028852 -0.002328 -0.003961 0.086303 0.043333 0.013929 5C 1px -0.010425 -0.055284 0.098603 -0.117347 0.135513 -0.051749 5C 1py -0.009349 -0.027700 0.035028 -0.054850 -0.024561 -0.002030 5C 2pz -0.598161 -0.141703 -0.359366 -0.134308 0.082985 -0.440404 5C 2px 0.152087 -0.258950 -0.553808 0.949179 0.020198 0.307854 5C 2py 0.719648 0.414502 0.654333 -0.200703 -0.394833 0.566170 5C 3pz -0.662593 -0.335388 -0.457584 0.066935 -0.550198 -0.356240 5C 3px 0.052841 -0.333811 -0.399964 0.588553 -0.068874 0.000429 5C 3py 0.978317 0.594753 1.100248 -0.374178 0.849592 0.222955 5C 1dz2 -0.007261 -0.015462 0.016018 0.001475 0.014161 -0.017702 5C 1dxz 0.001956 0.004428 -0.015378 0.019984 -0.012952 -0.019485 5C 1dyz -0.001010 0.008443 -0.007070 -0.000677 0.005108 0.000711 5C 1dx2y2 -0.011249 0.015911 -0.008124 -0.018710 -0.035635 0.012971 5C 1dxy 0.019504 -0.003555 0.016151 -0.016242 0.018985 0.013900 5C 2dz2 0.262789 0.171981 0.572938 -0.003095 -0.061255 0.043211 5C 2dxz 0.306652 0.149813 0.188111 0.020815 -0.159610 0.271839 5C 2dyz 0.186482 0.024646 -0.080841 -0.023300 -0.135532 0.259859 5C 2dx2y2 -0.453201 -0.422997 -0.204443 0.365614 0.211651 -0.165905 5C 2dxy 0.186900 0.277479 -0.171639 -0.315143 -0.009232 -0.289143 5C 1f0 0.000847 0.003304 0.007537 -0.007404 -0.011882 0.013132 5C 1f+1 0.010477 0.017363 0.010032 0.004237 -0.035865 0.031931 5C 1f-1 -0.017725 -0.010091 0.012640 -0.023099 -0.022561 -0.017222 5C 1f+2 -0.018439 -0.007120 -0.008974 -0.006822 0.012803 -0.031829 5C 1f-2 -0.045035 -0.004525 -0.023958 0.003842 0.001294 -0.043225 5C 1f+3 0.024800 0.043009 0.004297 -0.037294 -0.041872 0.022775 5C 1f-3 -0.023757 -0.023340 -0.008011 0.032968 0.032147 -0.016851 6C 1s 0.003170 -0.003325 0.004271 0.006319 -0.009786 -0.002470 6C 2s 0.008203 -0.009785 0.013043 0.022506 -0.031687 -0.008556 6C 3s 0.433546 -0.324524 0.128734 -0.031284 -0.070043 -0.217855 6C 4s -3.055657 2.222422 -1.417151 -0.817586 1.853383 1.684851 6C 5s -1.564389 0.722958 -0.784455 -1.215290 0.856084 1.708062 6C 1pz -0.026707 -0.003903 0.001811 0.084225 -0.047032 0.023628 6C 1px 0.006839 -0.051185 -0.103237 -0.130889 -0.122927 -0.034054 6C 1py 0.005786 -0.022454 -0.038828 -0.053401 0.029706 -0.018576 6C 2pz 0.582887 -0.239460 0.329220 -0.132122 -0.075276 -0.387910 6C 2px -0.165487 -0.311401 0.495273 0.958625 -0.070175 0.349127 6C 2py -0.690847 0.581300 -0.567565 -0.193146 0.391394 0.484659 6C 3pz 0.653232 -0.429379 0.398133 0.137905 0.559454 -0.446827 6C 3px -0.070869 -0.377050 0.334731 0.614662 0.048560 -0.017011 6C 3py -0.949516 0.781898 -0.988231 -0.491651 -0.865894 0.342502 6C 1dz2 -0.006768 0.014548 0.018200 0.000577 0.014297 0.011551 6C 1dxz 0.001761 -0.003026 -0.015100 -0.021151 -0.010535 0.014790 6C 1dyz -0.002426 -0.006641 -0.008604 0.000629 0.005017 -0.003714 6C 1dx2y2 -0.012375 -0.015476 -0.011146 0.014988 -0.035845 -0.000926 6C 1dxy 0.019610 0.001126 0.015509 0.018437 0.017177 -0.013972 6C 2dz2 0.253606 -0.271275 0.546756 0.011559 -0.053336 -0.034082 6C 2dxz 0.299727 -0.207184 0.156201 -0.026263 -0.151608 -0.213171 6C 2dyz 0.180579 -0.039428 -0.096732 0.014227 -0.146652 -0.266772 6C 2dx2y2 -0.436998 0.494889 -0.133366 -0.353911 0.209856 0.058758 6C 2dxy 0.169805 -0.268112 -0.211983 0.317612 -0.008389 0.196161 6C 1f0 -0.000815 0.005290 -0.006569 -0.007435 0.012714 0.013724 6C 1f+1 -0.009582 0.021569 -0.007522 0.007224 0.035870 0.024824 6C 1f-1 0.016491 -0.007936 -0.013282 -0.022352 0.022924 -0.017056 6C 1f+2 0.017359 -0.010622 0.007050 -0.007332 -0.013188 -0.032586 6C 1f-2 0.044787 -0.011215 0.022230 0.004494 -0.003168 -0.039609 6C 1f+3 -0.022383 0.047748 0.003338 -0.033965 0.042534 0.012787 6C 1f-3 0.023130 -0.028064 0.002928 0.030362 -0.032662 -0.006154 7C 1s 0.003718 0.001645 0.008814 -0.000052 0.002204 -0.010931 7C 2s 0.012123 0.002158 0.027760 -0.004142 0.010832 -0.036047 7C 3s 0.265249 0.176733 0.130176 -0.022754 -0.298988 -0.059891 7C 4s -2.259962 -0.999801 -1.998311 0.435417 1.438092 1.951012 7C 5s -1.628452 0.568466 -1.078424 2.012948 0.456213 1.245793 7C 1pz 0.031536 0.017365 0.000656 0.032703 0.014150 -0.057287 7C 1px -0.162353 0.120796 0.094526 -0.019376 -0.000570 -0.076007 7C 1py -0.007508 -0.044660 0.008714 0.016513 0.075845 -0.090357 7C 2pz 0.524718 0.143058 0.696296 -0.384515 -0.441866 -0.410018 7C 2px 0.207990 -0.421846 -0.145288 0.672916 0.077205 -0.172071 7C 2py 0.323778 0.237929 0.357784 0.035757 -0.414327 -0.226434 7C 3pz -0.130481 0.878874 0.379151 0.542070 -1.926801 -0.944096 7C 3px -0.280122 -0.105010 0.087782 0.342312 -0.113470 -0.308340 7C 3py -0.122997 0.453577 0.087097 0.300750 -1.084742 -0.514520 7C 1dz2 0.009165 0.007302 -0.022266 0.012138 -0.031005 0.022202 7C 1dxz -0.048589 0.019923 0.013552 0.028850 -0.007755 -0.004913 7C 1dyz -0.002723 0.011858 0.007072 0.029813 0.001660 -0.005723 7C 1dx2y2 0.009448 -0.013526 0.007890 -0.028394 0.029485 -0.022552 7C 1dxy -0.033812 0.018528 0.010079 0.014518 0.011677 -0.025248 7C 2dz2 0.345444 -0.057077 -0.204131 0.503580 0.004400 -0.122863 7C 2dxz 0.136409 0.087351 0.260890 -0.519156 0.187269 -0.234430 7C 2dyz -0.174258 0.163496 0.176873 0.143759 -0.017225 0.079374 7C 2dx2y2 -0.304922 -0.265392 -0.418835 -0.192776 0.341953 0.284114 7C 2dxy -0.094161 -0.315943 -0.283504 -0.356077 0.397702 0.124118 7C 1f0 -0.017064 0.031342 -0.022609 0.008599 -0.011080 0.041151 7C 1f+1 -0.036243 0.009687 -0.012908 -0.007726 -0.017255 0.059323 7C 1f-1 -0.018856 0.002783 -0.019703 0.012427 -0.007340 0.005101 7C 1f+2 0.043935 0.021149 0.007332 -0.050893 -0.023543 0.001273 7C 1f-2 -0.026156 -0.000660 -0.007783 0.017324 0.000516 -0.007173 7C 1f+3 0.024982 -0.015992 0.000782 -0.029102 0.010807 0.010950 7C 1f-3 -0.000245 -0.028129 -0.041395 0.006510 -0.016700 0.020142 8C 1s -0.003157 0.001758 -0.002394 -0.006003 0.000553 0.005271 8C 2s -0.011876 0.004510 -0.008137 -0.022295 -0.000524 0.020300 8C 3s 0.055173 -0.023221 0.133360 0.211941 0.036320 -0.149517 8C 4s 0.011807 0.047909 -0.526181 -0.392939 -0.173185 0.141338 8C 5s -0.142790 0.807388 -0.414132 0.383420 -0.979188 -0.638312 8C 1pz 0.045817 -0.011533 0.107432 -0.129490 0.049044 0.036845 8C 1px -0.147681 0.133323 0.064762 -0.040628 0.021576 0.014097 8C 1py -0.010736 0.016582 0.142246 0.030709 0.050004 -0.034335 8C 2pz -0.082138 0.001962 -0.125709 0.407806 -0.083427 -0.078759 8C 2px 0.304827 -0.374100 -0.146472 0.115496 -0.048448 0.064156 8C 2py 0.022571 -0.039483 -0.536801 -0.071614 -0.252698 0.093318 8C 3pz 0.004538 -0.126190 0.249112 -0.059062 0.082278 0.167743 8C 3px -0.093382 0.136790 0.158944 -0.140920 0.208820 0.076747 8C 3py -0.030041 0.185450 -0.047098 0.060775 -0.210172 -0.140816 8C 1dz2 0.005103 0.000698 0.003404 -0.011156 0.006734 -0.027348 8C 1dxz 0.028825 -0.029062 -0.014799 -0.008985 -0.010667 -0.005131 8C 1dyz 0.011511 -0.015404 0.018822 0.031224 -0.020006 0.000735 8C 1dx2y2 0.015364 -0.000644 -0.016562 0.011385 0.011065 -0.023435 8C 1dxy 0.004052 0.001967 -0.021095 0.000717 -0.001291 -0.017517 8C 2dz2 0.043716 -0.051610 0.094606 -0.073079 0.046719 0.030527 8C 2dxz -0.215401 0.201840 0.115423 -0.083429 0.046755 0.018683 8C 2dyz -0.195601 0.114426 -0.083261 0.020114 0.028215 -0.006482 8C 2dx2y2 -0.079640 0.054505 0.307288 -0.051532 0.054279 0.046549 8C 2dxy 0.089568 -0.160617 0.107540 0.037820 -0.016524 0.093390 8C 1f0 -0.031024 0.001832 0.011826 -0.025743 -0.014880 0.037009 8C 1f+1 -0.003713 -0.015077 -0.001336 -0.013590 -0.019112 0.023944 8C 1f-1 -0.011621 -0.008514 -0.027658 -0.023566 -0.000928 0.023961 8C 1f+2 0.036938 -0.009222 -0.000686 0.046844 -0.004595 -0.051763 8C 1f-2 0.034050 0.005676 0.003824 0.039808 0.019598 -0.049229 8C 1f+3 -0.012101 0.016873 0.014309 0.006734 0.009748 -0.002728 8C 1f-3 -0.022768 0.020633 0.007244 0.000291 0.013028 0.006812 9C 1s -0.003145 0.003658 -0.001724 0.009487 0.002226 0.004756 9C 2s -0.010846 0.014949 -0.005782 0.036585 0.011042 0.015527 9C 3s 0.076437 -0.150723 0.057997 -0.303604 -0.105639 -0.120685 9C 4s -0.140451 0.242708 -0.198797 0.338485 0.216628 0.161323 9C 5s 1.156578 -1.787563 0.113840 -2.583327 1.470432 0.509889 9C 1pz 0.024430 -0.002268 -0.067190 0.154992 0.042784 0.037576 9C 1px 0.001307 -0.077234 -0.066267 -0.072227 0.187372 -0.057162 9C 1py -0.095424 0.175352 0.112460 0.037335 -0.068887 0.062923 9C 2pz -0.037541 0.051264 0.254533 -0.300856 -0.246986 -0.055033 9C 2px -0.143936 0.264320 0.171890 0.359473 -0.496833 0.166190 9C 2py 0.250383 -0.413020 -0.200911 0.042251 0.107313 -0.222576 9C 3pz -0.211889 0.317163 -0.100807 0.647780 -0.296811 -0.076317 9C 3px -0.092972 0.017297 -0.061639 -0.051874 -0.073172 0.041147 9C 3py -0.229576 0.403110 0.172196 0.413255 -0.279426 -0.099444 9C 1dz2 -0.019480 -0.001257 0.016651 0.032083 0.004162 -0.014892 9C 1dxz -0.005575 0.033756 0.014438 0.065279 -0.020288 -0.024346 9C 1dyz -0.016470 0.019892 -0.011248 0.023602 -0.003218 0.028838 9C 1dx2y2 0.005998 -0.036483 0.004774 -0.028455 0.020275 -0.000539 9C 1dxy 0.007435 0.012080 -0.030966 0.037920 -0.009099 0.006257 9C 2dz2 0.119368 -0.095952 -0.161960 0.049199 0.057099 0.005972 9C 2dxz 0.023998 -0.258641 -0.193876 -0.346766 0.355379 0.032012 9C 2dyz 0.032672 0.074867 0.051523 -0.059233 -0.115374 0.023766 9C 2dx2y2 0.138063 -0.044120 -0.122325 0.093803 -0.023704 -0.014396 9C 2dxy -0.034175 -0.065024 0.103296 -0.218162 0.112251 -0.056229 9C 1f0 -0.014506 0.037709 -0.024889 0.057448 -0.011735 0.005317 9C 1f+1 -0.020690 0.002809 0.016124 0.003163 -0.002346 -0.003658 9C 1f-1 0.016571 -0.014401 -0.003537 -0.016260 0.010542 0.021355 9C 1f+2 0.045907 -0.054671 -0.009776 -0.100638 -0.009470 -0.006628 9C 1f-2 -0.026104 0.019324 -0.016049 0.060125 0.037786 0.020684 9C 1f+3 0.036487 -0.042710 0.005118 -0.092635 -0.027012 -0.014832 9C 1f-3 -0.013510 0.014809 0.013900 0.013111 -0.027424 -0.015114 10H 1s 0.141967 0.166205 0.009739 0.309441 -0.038445 -0.005932 10H 2s -0.375348 -0.254279 -0.018790 -0.531478 0.162104 -0.128204 10H 3s -0.059861 0.066304 -0.064816 0.141390 -0.034884 -0.013895 10H 1pz -0.035353 -0.062435 0.061574 -0.027122 -0.107200 -0.051350 10H 1px 0.061271 -0.050254 0.031463 -0.045581 -0.156255 -0.012707 10H 1py 0.070398 0.071611 -0.065619 -0.054871 -0.010797 -0.015709 11H 1s 0.005354 0.021981 0.083255 0.096039 -0.056109 0.091638 11H 2s 0.050315 -0.037862 -0.084168 -0.298153 0.209020 -0.018922 11H 3s -0.154922 -0.310213 0.152241 -0.220897 -0.079921 0.128036 11H 1pz 0.057181 0.132242 -0.021360 0.111510 0.151698 0.035725 11H 1px 0.049610 -0.015801 0.004138 -0.081313 -0.091152 -0.004146 11H 1py 0.107022 0.174683 -0.114517 0.068202 0.089168 -0.007113 12H 1s 0.040156 0.009310 -0.031997 0.077798 -0.083567 0.056821 12H 2s -0.060058 -0.162584 -0.021324 -0.209839 0.140707 -0.183303 12H 3s -0.003633 -0.031771 -0.191118 -0.286412 -0.038178 0.090515 12H 1pz -0.065628 -0.069443 0.079845 0.148072 -0.028502 -0.024479 12H 1px 0.000083 -0.095659 0.052356 -0.054223 -0.167408 -0.046540 12H 1py 0.034935 0.039400 -0.055246 0.056444 0.072938 -0.026978 13H 1s 0.053837 -0.064758 0.017850 -0.081401 0.105523 0.109738 13H 2s -0.209987 0.074881 -0.131898 0.278889 -0.157445 -0.260381 13H 3s -0.101560 -0.107221 -0.018197 0.021438 0.185225 0.001492 13H 1pz 0.013611 0.043738 -0.117320 -0.014225 -0.037119 -0.000894 13H 1px 0.168948 0.083595 -0.026453 -0.035226 0.001656 0.002660 13H 1py -0.068755 -0.024117 -0.074424 -0.036366 -0.026094 0.049712 14H 1s 0.115800 0.062918 -0.044260 -0.070998 -0.016950 0.079068 14H 2s -0.182209 -0.107369 0.068132 0.214643 0.044337 -0.105366 14H 3s 0.197968 0.269885 -0.221775 -0.058711 -0.049570 0.013689 14H 1pz -0.099325 -0.064286 -0.052756 -0.020524 -0.002890 0.041851 14H 1px 0.091978 0.035533 0.029331 0.029481 0.016929 -0.001726 14H 1py 0.030668 0.096322 -0.119226 -0.078317 -0.059322 -0.004880 15H 1s 0.029409 -0.004604 0.062959 -0.084903 -0.019628 0.050189 15H 2s -0.070628 0.048277 -0.053964 0.053165 -0.095666 -0.131935 15H 3s -0.006032 0.070538 0.151572 0.061955 -0.017439 -0.012101 15H 1pz -0.032409 -0.023657 -0.155121 -0.066453 -0.028038 0.060284 15H 1px 0.124152 0.077492 -0.079205 -0.047136 -0.024542 -0.000168 15H 1py 0.060975 0.036200 0.028887 0.073723 0.039036 -0.005841 16H 1s -0.075558 -0.004631 -0.097501 0.081055 0.021631 0.082209 16H 2s 0.198516 0.022142 0.305344 -0.258984 -0.062874 -0.305821 16H 3s -0.208994 -0.056053 -0.185614 0.195427 0.034749 0.244034 16H 1pz 0.016428 0.011802 0.081714 -0.034643 -0.040256 -0.057644 16H 1px 0.255996 0.098446 0.056155 -0.037485 0.096377 -0.321077 16H 1py 0.289094 0.110565 0.133958 -0.108244 0.044829 -0.369333 17H 1s -0.053293 0.000915 -0.105398 0.092104 -0.050065 0.018737 17H 2s 0.147812 0.004647 0.306311 -0.305792 0.152774 -0.048422 17H 3s -0.117207 -0.043468 -0.170046 0.227125 0.040934 -0.046608 17H 1pz 0.021319 -0.004406 -0.032857 0.112283 0.088270 -0.068025 17H 1px -0.046093 0.092845 -0.106302 -0.095515 -0.299053 0.135878 17H 1py -0.001929 0.097824 0.052958 -0.258781 -0.174298 0.109324 18H 1s -0.054258 0.014698 -0.103463 -0.096845 -0.044282 -0.054367 18H 2s 0.147613 -0.048810 0.296849 0.319004 0.134710 0.148804 18H 3s -0.114358 0.073526 -0.157609 -0.225936 0.054062 0.018801 18H 1pz -0.019011 -0.010965 0.032065 0.115726 -0.101327 -0.088865 18H 1px 0.050330 0.088698 0.121016 -0.076454 0.306908 0.210691 18H 1py 0.005227 0.111329 -0.030124 -0.250272 0.189723 0.146460 19H 1s -0.075540 0.027708 -0.095503 -0.079723 0.023993 -0.139987 19H 2s 0.198007 -0.091114 0.298482 0.257823 -0.069599 0.468484 19H 3s -0.203873 0.105042 -0.171627 -0.197950 0.036169 -0.294623 19H 1pz -0.011190 0.027962 -0.077316 -0.027093 0.040917 -0.126146 19H 1px -0.243249 0.120253 -0.042904 -0.046489 -0.109595 -0.248419 19H 1py -0.281339 0.149027 -0.120814 -0.114449 -0.057746 -0.356919 20H 1s 0.026875 -0.007389 0.059952 0.085733 -0.026279 -0.055002 20H 2s -0.064359 -0.040601 -0.057387 -0.063474 -0.081414 0.178210 20H 3s -0.004752 -0.090881 0.146605 -0.062786 -0.005510 0.052046 20H 1pz 0.031554 -0.044044 0.155030 -0.060680 0.036283 0.056065 20H 1px -0.119119 0.078137 0.091179 -0.046113 0.021291 0.015522 20H 1py -0.060436 0.043023 -0.026847 0.069757 -0.045725 0.005252 21H 1s 0.105783 -0.065845 -0.056378 0.069783 -0.021724 -0.090922 21H 2s -0.159592 0.111497 0.094575 -0.212054 0.055371 0.135130 21H 3s 0.182686 -0.259186 -0.261499 0.053586 -0.037933 -0.026520 21H 1pz 0.094537 -0.078479 0.044564 -0.017282 0.010471 0.022228 21H 1px -0.090945 0.046111 -0.026126 0.025840 -0.021382 0.014172 21H 1py -0.028951 0.087167 0.134209 -0.072890 0.056870 -0.010029 22H 1s 0.051349 0.064122 0.019802 0.089630 0.092204 -0.125824 22H 2s -0.201844 -0.048159 -0.124789 -0.296722 -0.127021 0.290056 22H 3s -0.096305 0.123863 -0.005396 -0.008504 0.178669 -0.023045 22H 1pz -0.011691 0.031159 0.123809 -0.009518 0.035059 -0.001538 22H 1px -0.162859 0.093076 0.038442 -0.037104 -0.005871 0.021434 22H 1py 0.064931 -0.036651 0.071776 -0.032238 0.030556 0.028118 23H 1s 0.039242 -0.011192 -0.028369 -0.085005 -0.080198 -0.049807 23H 2s -0.051401 0.175632 -0.004754 0.219917 0.124669 0.160453 23H 3s 0.005333 0.064805 -0.193404 0.276223 -0.064611 -0.071058 23H 1pz 0.066002 -0.056247 -0.095946 0.145758 0.017545 -0.005516 23H 1px -0.004658 -0.084169 -0.066719 -0.041852 0.174479 -0.065806 23H 1py -0.032710 0.031631 0.058281 0.052740 -0.077855 -0.013138 24H 1s 0.006021 -0.036711 0.084889 -0.097411 -0.054084 -0.091331 24H 2s 0.052921 0.059132 -0.094223 0.311797 0.186311 -0.001203 24H 3s -0.137908 0.296321 0.194024 0.221514 -0.122930 -0.109108 24H 1pz -0.050078 0.127214 0.037826 0.100825 -0.164381 0.064046 24H 1px -0.050911 -0.012910 -0.004689 -0.072943 0.098567 -0.020994 24H 1py -0.099934 0.159982 0.138098 0.066466 -0.100294 0.000295 25H 1s 0.130392 -0.179908 -0.004833 -0.315075 -0.005499 0.035372 25H 2s -0.360841 0.289824 -0.000802 0.548404 0.114908 0.075820 25H 3s -0.063332 -0.053985 -0.069925 -0.145812 -0.024089 0.024779 25H 1pz 0.033798 -0.052438 -0.071109 -0.021486 0.107857 -0.061336 25H 1px -0.063180 -0.038867 -0.040256 -0.033186 0.161644 -0.036756 25H 1py -0.068632 0.064657 0.077433 -0.050263 0.013249 -0.027828 26O 1s -0.002340 0.003119 0.000802 0.007955 0.000152 0.001381 26O 2s -0.005348 0.008852 0.001534 0.019726 0.000499 0.003382 26O 3s -0.013546 -0.020605 -0.000872 -0.009042 -0.005703 -0.022258 26O 4s 0.143592 -0.146845 -0.126973 -0.565708 0.077316 -0.003989 26O 5s 1.330748 -0.303994 1.322551 -0.016144 -1.640257 1.752281 26O 1pz 0.054818 0.062038 -0.023244 0.033256 -0.034726 -0.002909 26O 1px 0.005603 0.039489 -0.074027 -0.014509 0.048078 -0.082123 26O 1py 0.000124 0.046038 0.018322 0.068251 -0.004297 -0.019815 26O 2pz -0.102920 -0.022079 -0.034111 -0.071264 0.067376 -0.082504 26O 2px -0.242752 0.058893 -0.016815 0.238710 0.118166 -0.103998 26O 2py -0.132296 0.016916 -0.065905 -0.010969 0.083642 -0.078767 26O 3pz 0.233504 0.173134 0.064968 0.091303 -0.688756 -0.041812 26O 3px -0.439126 0.429232 -0.772057 0.243440 0.502307 -0.994966 26O 3py -0.006382 0.034817 -0.287688 0.342247 -0.111803 -0.588938 26O 1dz2 0.004833 0.001697 -0.000567 -0.001515 -0.007026 0.003004 26O 1dxz 0.001265 0.005410 -0.003461 0.003684 -0.001018 0.000072 26O 1dyz 0.004219 0.001375 0.000143 0.008710 -0.003241 0.001201 26O 1dx2y2 -0.005893 -0.001690 0.000529 -0.002676 0.002435 0.005263 26O 1dxy -0.002742 0.000114 0.003180 0.005653 0.003303 0.002476 26O 2dz2 -0.065302 -0.001503 -0.018535 0.075203 -0.143824 -0.171652 26O 2dxz 0.010069 -0.037217 0.007903 0.012444 0.152896 0.052121 26O 2dyz 0.126833 0.054985 0.030714 0.145300 0.013072 0.033252 26O 2dx2y2 -0.052417 -0.200968 0.181034 -0.004850 -0.115680 0.249562 26O 2dxy 0.039432 -0.081286 0.260039 -0.021776 -0.011052 0.265103 26O 1f0 0.003925 0.000902 0.002053 0.003608 -0.000262 -0.003682 26O 1f+1 -0.000221 -0.007575 0.004790 -0.001439 -0.003242 -0.001255 26O 1f-1 -0.000656 -0.002231 0.002660 -0.006535 -0.001479 -0.005703 26O 1f+2 -0.001153 -0.001682 0.002579 0.002661 -0.003055 0.001403 26O 1f-2 -0.006539 0.000696 -0.000474 -0.005292 0.003857 0.001450 26O 1f+3 0.000142 -0.001749 0.000851 -0.005386 -0.002267 0.001322 26O 1f-3 0.013566 0.005529 -0.005808 -0.005554 -0.001153 0.003336 27O 1s 0.000932 -0.002474 -0.002644 0.002457 0.001378 0.000559 27O 2s 0.002325 -0.006760 -0.006446 0.005627 0.004435 0.000560 27O 3s -0.015594 -0.001981 -0.001674 0.019365 -0.012551 0.006960 27O 4s -0.060103 0.206010 0.075591 -0.217967 0.020705 -0.108854 27O 5s 2.210564 1.062868 1.880266 -1.490445 -0.752188 0.769317 27O 1pz -0.001661 -0.010711 0.049877 -0.045291 0.007737 0.013984 27O 1px -0.069312 -0.040938 -0.049002 0.021414 0.059790 -0.037572 27O 1py -0.053384 -0.044712 0.038238 0.078658 0.006882 -0.013015 27O 2pz -0.024916 0.030055 -0.042603 0.005899 -0.014765 -0.046820 27O 2px -0.203339 -0.192718 -0.217765 0.245877 0.001087 -0.012660 27O 2py 0.150043 0.094278 0.060349 -0.119829 -0.021139 0.061309 27O 3pz 0.336430 -0.094640 0.165272 0.022241 0.138453 0.096085 27O 3px -0.887414 -0.859755 -0.764302 0.937132 0.949344 -0.537535 27O 3py -0.506814 0.027309 -0.104983 -0.123269 -0.322980 0.249008 27O 1dz2 -0.000637 -0.004169 0.001068 0.001316 0.003476 -0.000015 27O 1dxz -0.000926 0.000373 0.002190 -0.000622 0.001711 0.002412 27O 1dyz -0.004903 -0.002313 -0.000561 -0.000056 0.001711 -0.004558 27O 1dx2y2 -0.006450 -0.002262 -0.002253 0.003659 -0.004188 0.002593 27O 1dxy -0.000985 0.000035 0.002502 0.001317 -0.002097 -0.002206 27O 2dz2 -0.146819 -0.167697 -0.226441 0.047431 0.175017 -0.091105 27O 2dxz -0.047121 0.000120 0.013387 0.019857 0.003161 -0.016248 27O 2dyz -0.173142 -0.057293 0.014831 0.014457 0.079916 -0.064305 27O 2dx2y2 0.139731 0.198570 0.080155 -0.209924 -0.312894 0.157082 27O 2dxy 0.024046 -0.001364 -0.026653 0.036728 0.069866 -0.113892 27O 1f0 -0.001678 -0.001025 0.000144 -0.001357 0.001793 0.003838 27O 1f+1 0.005048 0.004526 0.000170 -0.011505 0.001571 -0.000526 27O 1f-1 -0.002610 -0.002522 -0.000296 0.002551 -0.001351 0.001935 27O 1f+2 0.001058 0.002234 0.002112 -0.001639 -0.002824 0.003043 27O 1f-2 0.001045 -0.000515 0.005020 -0.002716 0.002587 0.002644 27O 1f+3 -0.000055 -0.000554 0.008095 -0.000010 0.002137 -0.001938 27O 1f-3 -0.001505 0.001516 -0.010870 0.001921 -0.003455 -0.001130 28O 1s 0.003175 0.005847 -0.002728 0.001657 -0.000417 -0.002783 28O 2s 0.008046 0.014801 -0.006919 0.004827 -0.001338 -0.008105 28O 3s -0.025382 -0.021009 0.001515 -0.047173 0.000397 0.023038 28O 4s -0.175518 -0.167119 0.088692 0.208905 0.198315 0.000620 28O 5s 1.579824 -1.036353 1.457158 1.063929 -1.716457 1.334061 28O 1pz -0.034818 0.036157 -0.008412 0.124208 0.054365 -0.004184 28O 1px 0.029639 -0.008984 0.058553 0.076854 -0.022214 0.055944 28O 1py 0.026511 0.059326 -0.036295 0.072064 0.030080 0.034899 28O 2pz -0.037869 0.080683 -0.165499 -0.232461 0.032159 -0.111860 28O 2px -0.012084 -0.137669 0.112288 0.158575 -0.007863 0.039190 28O 2py -0.042484 -0.000189 -0.001702 -0.058778 0.019739 -0.044853 28O 3pz -0.766821 0.480311 -0.178359 -0.218179 0.133497 -0.485313 28O 3px 0.938210 -0.470309 0.745827 0.674832 -0.758569 0.732609 28O 3py 0.062369 0.194107 -0.247566 0.074090 -0.086684 -0.190223 28O 1dz2 -0.002236 0.007274 0.001419 0.005061 0.005172 0.004866 28O 1dxz -0.002673 0.000055 0.004650 0.002164 -0.001091 0.001162 28O 1dyz 0.001400 0.003369 0.000286 0.010293 0.005116 -0.001501 28O 1dx2y2 0.004248 0.002169 0.002555 -0.002799 -0.003745 0.001956 28O 1dxy 0.005327 0.001697 -0.001638 -0.000081 0.000403 0.000339 28O 2dz2 0.133978 0.034982 -0.047545 -0.143547 0.020559 0.089492 28O 2dxz -0.294224 0.091682 -0.083504 -0.071360 0.010558 -0.199524 28O 2dyz 0.111445 -0.143470 0.129511 0.018322 -0.080294 0.045356 28O 2dx2y2 0.136392 -0.032183 0.237664 0.192630 -0.155309 0.136472 28O 2dxy 0.167845 0.183631 -0.202409 0.035162 0.043619 -0.024490 28O 1f0 0.002417 -0.004592 -0.000292 -0.000065 -0.003071 -0.003639 28O 1f+1 -0.004182 -0.007007 0.006596 0.000938 -0.001631 0.000487 28O 1f-1 0.004700 0.001066 -0.004031 -0.005592 -0.002769 -0.003261 28O 1f+2 0.001010 0.007007 -0.005110 -0.001539 0.007330 -0.000087 28O 1f-2 -0.004008 -0.003174 0.000121 -0.000418 -0.001087 0.001243 28O 1f+3 -0.000793 0.001604 -0.002546 -0.003793 -0.000794 -0.002166 28O 1f-3 -0.000729 0.000545 -0.001837 -0.002912 -0.001789 0.000858 29O 1s 0.000424 -0.001086 -0.001694 0.004195 -0.001172 0.003804 29O 2s 0.000322 -0.003037 -0.008176 0.014312 -0.004331 0.012625 29O 3s 0.028247 0.015398 0.112865 -0.120023 0.036390 -0.096333 29O 4s -0.067820 0.033471 -0.311482 0.194742 -0.128026 0.132885 29O 5s -0.412366 -0.216138 -0.244903 0.447051 0.276827 0.304037 29O 1pz -0.001627 0.003719 -0.007984 0.007795 0.038772 0.011513 29O 1px 0.026753 -0.009440 0.040140 0.007591 0.011756 0.005833 29O 1py -0.043593 -0.030684 -0.033728 0.077866 -0.018369 0.042186 29O 2pz 0.106325 0.048574 0.059211 -0.015900 -0.080950 -0.205415 29O 2px -0.058632 -0.033515 -0.110850 0.140287 -0.017616 0.046232 29O 2py 0.100680 0.037309 0.151610 -0.180948 0.032111 -0.094271 29O 3pz -0.197846 -0.083364 -0.064497 0.059865 -0.021887 0.227057 29O 3px 0.125354 0.126773 0.124283 -0.270424 -0.103822 -0.130979 29O 3py -0.112752 -0.126381 -0.012667 0.114954 0.107998 0.031695 29O 1dz2 0.001724 0.002545 0.000572 -0.001085 0.000022 -0.005940 29O 1dxz -0.003610 0.001076 -0.000003 -0.004033 0.000779 0.001558 29O 1dyz -0.000409 0.001428 0.000009 0.000507 -0.000162 -0.001076 29O 1dx2y2 0.001884 -0.000725 0.001108 0.000850 -0.001574 0.004630 29O 1dxy 0.000698 -0.001800 0.000070 0.002020 0.000264 0.001192 29O 2dz2 -0.133348 -0.008548 -0.064421 -0.009904 -0.135225 0.183997 29O 2dxz 0.270384 0.080911 0.083751 -0.017863 0.150874 -0.377750 29O 2dyz 0.176443 0.009744 0.077563 0.048963 0.205767 -0.258224 29O 2dx2y2 -0.122732 -0.198512 -0.026972 0.295578 0.249937 0.078303 29O 2dxy 0.076646 0.024753 -0.012345 -0.005617 -0.004093 -0.053504 29O 1f0 0.006831 -0.000380 0.012492 -0.008441 0.001446 -0.006853 29O 1f+1 0.001301 0.002226 -0.004530 0.004131 -0.000663 -0.003618 29O 1f-1 0.014549 0.004670 0.016216 -0.014294 -0.003351 -0.017100 29O 1f+2 -0.004091 0.000554 -0.005017 -0.000095 -0.002277 0.006443 29O 1f-2 0.001658 0.000034 0.010459 -0.012250 0.005344 0.001215 29O 1f+3 -0.000696 -0.000052 -0.003166 0.004049 -0.000356 -0.002806 29O 1f-3 -0.001850 0.000647 -0.004511 0.006175 -0.003085 -0.001038 30O 1s -0.001976 -0.002379 0.001432 -0.005718 0.003069 -0.001053 30O 2s -0.005154 -0.006144 0.003113 -0.013652 0.007744 -0.002568 30O 3s -0.001386 0.005353 -0.000761 0.005463 -0.001491 -0.023761 30O 4s -0.064033 0.084079 -0.166900 0.360994 -0.136505 0.183231 30O 5s 2.638069 0.431358 1.641291 -0.365553 -0.518170 1.605151 30O 1pz 0.006783 0.023590 -0.072441 0.000414 -0.015626 0.014288 30O 1px 0.053142 0.001296 0.040895 -0.060990 -0.032890 0.064324 30O 1py 0.071521 0.069855 0.001403 -0.008270 -0.022422 -0.032683 30O 2pz -0.155488 -0.104566 -0.005467 -0.044554 0.103017 -0.169557 30O 2px 0.094546 0.044080 -0.001855 0.172593 -0.077880 0.135576 30O 2py 0.112887 0.032605 0.096103 -0.001288 -0.091224 0.185741 30O 3pz -0.485317 -0.124234 -0.622068 -0.068362 0.156576 -0.442592 30O 3px 1.137463 0.160524 0.790093 -0.232247 -0.279034 0.790286 30O 3py 0.733824 0.334263 0.022506 0.035564 -0.259143 0.675474 30O 1dz2 0.000429 0.001234 -0.003832 0.005417 -0.002731 0.002118 30O 1dxz 0.000390 0.001612 -0.004777 0.001646 -0.001299 0.001945 30O 1dyz 0.001635 -0.001304 0.000469 0.006174 0.000519 -0.005412 30O 1dx2y2 0.006112 0.002253 0.000885 0.003250 0.000545 0.000731 30O 1dxy -0.000087 0.003242 -0.003385 -0.000507 0.001330 -0.002620 30O 2dz2 -0.162809 -0.056170 0.012506 0.167764 0.006733 -0.046538 30O 2dxz -0.130025 0.012357 -0.362722 0.020829 0.069005 -0.135117 30O 2dyz -0.234086 -0.100033 -0.176293 0.127622 0.099117 -0.163865 30O 2dx2y2 0.039828 -0.020746 0.071947 -0.037065 -0.021479 0.096874 30O 2dxy 0.219888 0.123205 -0.082912 -0.107298 -0.125011 0.172619 30O 1f0 0.003729 0.005267 -0.002334 0.001170 -0.004800 0.006858 30O 1f+1 0.002136 0.001892 -0.002314 -0.001628 0.000639 -0.001189 30O 1f-1 0.002560 0.005950 -0.003778 0.001364 -0.005087 0.003890 30O 1f+2 -0.002660 0.003756 -0.000526 -0.002353 -0.003032 0.000710 30O 1f-2 -0.008548 -0.004303 0.001001 -0.009382 0.004916 -0.003029 30O 1f+3 -0.000622 0.002324 -0.000618 0.002905 -0.004082 -0.002771 30O 1f-3 -0.007824 -0.004418 -0.001594 -0.006641 0.001858 -0.003497 31O 1s -0.001938 0.002530 0.001671 0.006060 0.002542 0.000847 31O 2s -0.005055 0.006627 0.003757 0.014522 0.006471 0.002018 31O 3s -0.001281 -0.005674 -0.000854 -0.006088 -0.000336 0.020079 31O 4s -0.063613 -0.062372 -0.174702 -0.381395 -0.110216 -0.132859 31O 5s 2.590253 -0.904912 1.512867 0.397010 -0.548058 -1.529424 31O 1pz -0.003189 0.014463 0.076195 0.002203 0.015201 0.021767 31O 1px -0.051204 0.013410 -0.036576 -0.060042 0.038866 0.058732 31O 1py -0.069046 0.075944 0.007802 -0.007768 0.016873 -0.033310 31O 2pz 0.146481 -0.123018 -0.013208 -0.051062 -0.098648 -0.153936 31O 2px -0.092665 0.056084 0.008358 0.179542 0.066400 0.116202 31O 2py -0.108678 0.060773 -0.085223 0.003581 0.093821 0.158762 31O 3pz 0.483846 -0.258076 0.593035 -0.066666 -0.148225 -0.356864 31O 3px -1.119040 0.377368 -0.731281 -0.248455 0.303685 0.776376 31O 3py -0.725848 0.410558 0.036787 0.057272 0.247871 0.560923 31O 1dz2 0.000323 -0.000908 -0.003831 -0.005690 -0.002444 -0.002691 31O 1dxz 0.000067 -0.001028 -0.004948 -0.001860 -0.001237 -0.001876 31O 1dyz 0.001874 0.001102 0.000907 -0.006061 0.001211 0.004524 31O 1dx2y2 0.006047 -0.002848 0.000693 -0.003046 0.000856 -0.001152 31O 1dxy -0.000241 -0.002666 -0.003735 0.000539 0.001560 0.002513 31O 2dz2 -0.157674 0.067496 0.029808 -0.170721 0.015861 0.053138 31O 2dxz -0.133393 0.052351 -0.358987 -0.023577 0.072568 0.106014 31O 2dyz -0.228599 0.148208 -0.155434 -0.125860 0.106889 0.125859 31O 2dx2y2 0.037452 0.004869 0.069113 0.038916 -0.030503 -0.108636 31O 2dxy 0.215200 -0.136570 -0.106461 0.095171 -0.125911 -0.117493 31O 1f0 -0.003342 0.005539 0.003204 0.001708 0.004548 0.005429 31O 1f+1 -0.002131 0.001699 0.002633 -0.001583 -0.000696 -0.001281 31O 1f-1 -0.002093 0.005849 0.004656 0.001807 0.004908 0.003681 31O 1f+2 0.002924 0.003590 0.001126 -0.002044 0.003013 0.000397 31O 1f-2 0.008272 -0.005132 -0.001564 -0.009750 -0.004047 -0.003510 31O 1f+3 0.000807 0.002368 0.000842 0.003165 0.003688 -0.002475 31O 1f-3 0.007482 -0.005381 0.001007 -0.006607 -0.001275 -0.004289 32O 1s 0.000428 0.001253 -0.001495 -0.004282 -0.001017 -0.004996 32O 2s 0.000284 0.004017 -0.007579 -0.014638 -0.003794 -0.017760 32O 3s 0.029090 -0.032152 0.108978 0.122938 0.032117 0.154311 32O 4s -0.074212 0.011060 -0.313795 -0.202550 -0.119143 -0.308171 32O 5s -0.394649 0.293572 -0.201911 -0.442417 0.285637 -0.250599 32O 1pz 0.000639 0.000216 0.007319 0.003106 -0.038929 0.027001 32O 1px -0.028416 -0.002877 -0.041242 0.006128 -0.012267 -0.019375 32O 1py 0.041226 -0.037966 0.027570 0.079557 0.014876 0.048492 32O 2pz -0.099441 0.073083 -0.049842 -0.002769 0.073167 -0.261286 32O 2px 0.059464 -0.050502 0.103836 0.145308 0.013022 0.071373 32O 2py -0.100644 0.065893 -0.142692 -0.183632 -0.023771 -0.147789 32O 3pz 0.185915 -0.105961 0.048604 0.056845 0.033039 0.242350 32O 3px -0.119882 0.156193 -0.098743 -0.268476 0.108559 -0.132104 32O 3py 0.107513 -0.139105 -0.007672 0.108227 -0.104564 -0.009664 32O 1dz2 0.001496 -0.002653 0.000229 0.001101 0.000390 0.005895 32O 1dxz -0.003567 -0.000663 -0.000244 0.004161 0.000475 -0.002654 32O 1dyz -0.000383 -0.001572 -0.000107 -0.000605 -0.000056 0.002091 32O 1dx2y2 0.001945 0.000392 0.001191 -0.000849 -0.001701 -0.004574 32O 1dxy 0.000666 0.001679 0.000354 -0.001906 0.000150 -0.001969 32O 2dz2 -0.135325 0.021262 -0.065803 0.002297 -0.150691 -0.196878 32O 2dxz 0.259348 -0.103994 0.075216 0.030103 0.167127 0.330935 32O 2dyz 0.167042 -0.017866 0.076435 -0.042753 0.221684 0.262941 32O 2dx2y2 -0.117511 0.222253 0.005612 -0.283660 0.250789 0.001752 32O 2dxy 0.075815 -0.027942 -0.013783 0.003239 0.003688 0.018083 32O 1f0 -0.006121 0.001519 -0.011437 -0.007632 -0.001376 -0.012609 32O 1f+1 -0.000695 0.001600 0.005374 0.004915 0.000285 -0.000640 32O 1f-1 -0.014472 0.008592 -0.015857 -0.014665 0.003464 -0.023692 32O 1f+2 0.004708 -0.000806 0.005928 0.000803 0.002548 0.011075 32O 1f-2 -0.001715 0.001060 -0.009879 -0.012811 -0.004524 0.000262 32O 1f+3 0.000668 -0.000377 0.002722 0.003694 -0.000135 -0.002309 32O 1f-3 0.001770 0.000137 0.004262 0.006595 0.002455 -0.001755 33O 1s 0.002768 -0.005681 -0.003371 -0.001877 0.000112 0.003298 33O 2s 0.006995 -0.014397 -0.008546 -0.005425 0.000083 0.009681 33O 3s -0.023610 0.022785 0.003384 0.047721 -0.004646 -0.029152 33O 4s -0.165390 0.169764 0.107944 -0.186329 0.204756 -0.016280 33O 5s 1.672518 0.648450 1.605196 -1.133971 -1.766696 -1.250704 33O 1pz 0.038182 0.031403 0.008841 0.118448 -0.064379 0.024911 33O 1px -0.031193 0.001321 -0.061894 0.075910 0.021571 0.058249 33O 1py -0.024621 0.055598 0.044042 0.072320 -0.037948 0.047502 33O 2pz 0.044815 0.050344 0.179850 -0.223809 -0.026981 -0.141997 33O 2px 0.001956 -0.118548 -0.130375 0.152079 0.005154 0.055577 33O 2py 0.045147 -0.005450 0.002593 -0.060377 -0.017106 -0.051691 33O 3pz 0.803726 0.403876 0.238341 -0.217910 -0.170823 -0.439724 33O 3px -0.981103 -0.263547 -0.814587 0.695974 0.772882 0.743214 33O 3py -0.051074 0.173159 0.271168 0.094052 0.060391 -0.162630 33O 1dz2 -0.002550 -0.007168 0.000552 -0.004540 0.005594 -0.006363 33O 1dxz -0.002665 -0.000732 0.004597 -0.001879 -0.000980 -0.002518 33O 1dyz 0.001132 -0.003534 0.000216 -0.009890 0.006108 -0.000097 33O 1dx2y2 0.004067 -0.002785 0.002148 0.002618 -0.003985 -0.000972 33O 1dxy 0.005324 -0.001920 -0.001991 0.000086 0.000543 -0.000661 33O 2dz2 0.132488 -0.036108 -0.057663 0.139502 0.009291 -0.063780 33O 2dxz -0.304535 -0.064462 -0.094223 0.070184 0.024261 0.163151 33O 2dyz 0.120663 0.112002 0.152732 -0.017867 -0.089862 -0.052331 33O 2dx2y2 0.140910 -0.016017 0.244920 -0.194357 -0.151025 -0.143666 33O 2dxy 0.157902 -0.165922 -0.228617 -0.040491 0.058231 -0.007258 33O 1f0 -0.002670 -0.004317 -0.000279 0.000296 0.002965 -0.004191 33O 1f+1 0.003698 -0.006321 -0.007533 0.000724 0.001950 0.000889 33O 1f-1 -0.004604 0.000847 0.004369 -0.005116 0.002806 -0.005317 33O 1f+2 -0.000597 0.006039 0.006005 -0.001708 -0.007546 -0.000408 33O 1f-2 0.003774 -0.003336 -0.000531 -0.000340 0.001339 0.001474 33O 1f+3 0.000994 0.001195 0.002728 -0.003483 0.000758 -0.002887 33O 1f-3 0.000757 0.000216 0.001969 -0.002744 0.002135 0.000870 34O 1s 0.000912 0.002837 -0.002306 -0.002446 0.001420 -0.000556 34O 2s 0.002316 0.007713 -0.005524 -0.005530 0.004497 -0.000394 34O 3s -0.015355 0.002287 -0.000781 -0.019762 -0.011658 -0.014724 34O 4s -0.060098 -0.207647 0.048921 0.217771 0.018972 0.146891 34O 5s 2.123551 -1.527310 1.641811 1.505667 -0.806489 -0.673652 34O 1pz 0.002081 -0.004159 -0.049433 -0.047197 -0.002987 0.021709 34O 1px 0.066677 -0.057008 0.041326 0.018446 -0.058795 -0.022809 34O 1py 0.047645 -0.043777 -0.047249 0.078588 -0.009671 -0.029253 34O 2pz 0.025470 0.022831 0.044803 0.007788 0.011078 -0.050450 34O 2px 0.194464 -0.235872 0.182208 0.251722 -0.009202 -0.001830 34O 2py -0.141681 0.114692 -0.040431 -0.120613 0.025220 0.063156 34O 3pz -0.336097 -0.049025 -0.174994 0.002106 -0.128418 0.150553 34O 3px 0.835306 -1.075408 0.598970 0.890386 -0.973074 -0.428468 34O 3py 0.497138 -0.011378 0.104268 -0.083650 0.339004 0.096177 34O 1dz2 -0.000350 0.004235 0.001725 -0.001031 0.003272 -0.000268 34O 1dxz -0.001085 -0.000541 0.002073 0.000864 0.001503 -0.003236 34O 1dyz -0.004604 0.002835 -0.000084 0.000113 0.001770 0.005315 34O 1dx2y2 -0.006219 0.002771 -0.001793 -0.004179 -0.004184 -0.000794 34O 1dxy -0.000958 -0.000456 0.002628 -0.001372 -0.001935 0.002132 34O 2dz2 -0.135968 0.217583 -0.198022 -0.038783 0.170375 0.060759 34O 2dxz -0.044891 0.002407 0.013012 -0.018343 0.007436 0.024370 34O 2dyz -0.166826 0.073239 0.029062 -0.012083 0.079385 0.092184 34O 2dx2y2 0.129451 -0.238688 0.042877 0.187814 -0.317142 -0.092776 34O 2dxy 0.021138 0.005563 -0.024341 -0.026653 0.074543 0.031073 34O 1f0 0.001641 -0.001243 -0.000196 -0.001452 -0.001464 0.003549 34O 1f+1 -0.004887 0.004838 0.000928 -0.011766 -0.001009 -0.000453 34O 1f-1 0.002429 -0.002612 -0.000113 0.002692 0.001375 0.002101 34O 1f+2 -0.000884 0.002704 -0.001706 -0.001513 0.002951 0.003351 34O 1f-2 -0.001043 0.000092 -0.004956 -0.003042 -0.002213 0.003168 34O 1f+3 0.000012 0.000412 -0.008222 -0.000324 -0.001996 -0.002026 34O 1f-3 0.001642 0.000130 0.010898 0.002476 0.003015 -0.001120 35O 1s -0.002557 -0.003000 0.000542 -0.008027 0.000820 -0.001303 35O 2s -0.005985 -0.008498 0.000751 -0.019961 0.002256 -0.003002 35O 3s -0.011793 0.020600 0.001161 0.010048 -0.007242 0.015154 35O 4s 0.151003 0.159955 -0.113701 0.566060 0.033716 0.056980 35O 5s 1.382286 -0.041088 1.357669 -0.073495 -1.727394 -1.521777 35O 1pz -0.052052 0.061981 0.030242 0.039302 0.029082 -0.006829 35O 1px -0.001754 0.028581 0.079706 -0.013588 -0.054780 -0.085784 35O 1py 0.003815 0.047777 -0.015565 0.067203 -0.002809 -0.022920 35O 2pz 0.103787 -0.035038 0.032020 -0.078409 -0.063884 -0.059465 35O 2px 0.247827 0.036735 0.021971 0.226451 -0.138179 -0.043553 35O 2py 0.133832 -0.002982 0.071363 -0.016047 -0.086603 -0.040273 35O 3pz -0.226352 0.213854 -0.039198 0.152781 0.665536 -0.111472 35O 3px 0.480241 0.265111 0.825370 0.238345 -0.591178 -0.955281 35O 3py 0.021907 -0.010093 0.277382 0.362144 0.065516 -0.614166 35O 1dz2 0.004903 -0.002190 -0.000935 0.000751 -0.007011 -0.001185 35O 1dxz 0.000872 -0.004967 -0.004097 -0.003929 -0.000515 -0.000048 35O 1dyz 0.004008 -0.001647 0.000283 -0.008965 -0.002685 -0.000119 35O 1dx2y2 -0.005720 0.001986 0.000620 0.002934 0.001840 -0.006652 35O 1dxy -0.002628 -0.000153 0.003219 -0.005278 0.003562 -0.003199 35O 2dz2 -0.068124 0.000486 -0.016780 -0.088575 -0.126220 0.180291 35O 2dxz 0.009835 0.037055 0.012572 0.001692 0.148291 -0.046917 35O 2dyz 0.122808 -0.066151 0.025336 -0.143879 0.021983 -0.034180 35O 2dx2y2 -0.037957 0.175457 0.211001 0.009177 -0.144239 -0.268630 35O 2dxy 0.051324 0.040573 0.266638 0.028146 -0.027829 -0.265756 35O 1f0 -0.003669 0.001447 -0.002106 0.003531 -0.000206 -0.003247 35O 1f+1 -0.000099 -0.006645 -0.005977 -0.001460 0.003497 -0.001730 35O 1f-1 0.000611 -0.001736 -0.002833 -0.006582 0.001731 -0.004986 35O 1f+2 0.001175 -0.001361 -0.002964 0.002741 0.003048 0.000394 35O 1f-2 0.006538 0.000065 0.000830 -0.005616 -0.003338 0.002879 35O 1f+3 -0.000283 -0.001470 -0.000988 -0.005230 0.002646 0.000703 35O 1f-3 -0.013367 0.005727 0.006733 -0.005086 0.001146 0.001723 396 397 398 399 400 401 2.14902 2.16049 2.16919 2.16944 2.17499 2.18084 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s -0.001585 -0.003100 0.002168 -0.001896 -0.001293 0.000103 0Rh 2s 0.012655 0.013971 -0.009304 0.012363 0.006867 -0.001345 0Rh 3s -0.001605 -0.009729 0.007089 -0.003622 -0.003421 -0.000218 0Rh 4s -0.064187 -0.070053 0.046659 -0.062484 -0.034551 0.006815 0Rh 5s 0.122930 0.090621 -0.057606 0.107709 0.051539 -0.014552 0Rh 6s -0.097855 0.084324 -0.068804 -0.040481 0.015299 0.016199 0Rh 7s 0.301388 -0.569321 0.377459 0.190810 -0.048777 -0.123942 0Rh 8s 0.154297 0.364436 -0.174533 0.389808 -0.083349 -0.195159 0Rh 1pz -0.000604 -0.001748 -0.006421 0.000915 -0.001890 -0.001149 0Rh 1px -0.004938 0.000239 -0.002637 0.002649 0.001372 -0.003276 0Rh 1py -0.003509 0.001473 -0.001338 0.006199 0.004441 -0.006040 0Rh 2pz 0.002147 0.005718 0.021762 -0.003565 0.006909 0.003958 0Rh 2px 0.017341 -0.000440 0.009321 -0.009256 -0.005726 0.011383 0Rh 2py 0.011725 -0.004942 0.004523 -0.021768 -0.015128 0.021152 0Rh 3pz -0.001979 0.005273 0.003059 0.009355 -0.010330 -0.001388 0Rh 3px -0.009838 -0.007596 -0.007125 0.005050 0.022441 -0.004642 0Rh 3py 0.005492 -0.002221 0.000983 0.012961 -0.000841 -0.011271 0Rh 4pz -0.005233 -0.059106 -0.157817 -0.013547 -0.002129 -0.018413 0Rh 4px -0.082456 0.031777 -0.032828 0.039719 -0.051951 -0.057188 0Rh 4py -0.102621 0.044980 -0.034750 0.095023 0.105970 -0.098542 0Rh 5pz 0.000275 0.104442 0.288252 0.028219 -0.003655 0.024423 0Rh 5px 0.175631 -0.048832 0.053134 -0.070676 0.093742 0.109537 0Rh 5py 0.193022 -0.091837 0.070111 -0.173293 -0.200577 0.181156 0Rh 6pz 0.408671 0.162460 -0.757938 -0.302979 -0.093421 0.017593 0Rh 6px -0.166707 0.209737 0.203362 0.088828 -0.573413 -0.288495 0Rh 6py -0.176408 0.123128 -1.013837 -0.329648 0.674797 0.454095 0Rh 1dz2 0.003667 -0.004399 -0.017487 0.007813 -0.011337 -0.008777 0Rh 1dxz 0.003588 0.000769 0.007654 -0.000708 0.015465 0.008218 0Rh 1dyz 0.007858 -0.003887 0.002716 -0.003755 0.006782 0.002148 0Rh 1dx2y2 -0.008638 -0.005597 0.002697 -0.013803 -0.006840 0.007100 0Rh 1dxy -0.011389 0.011804 0.002534 -0.001865 -0.011548 -0.003733 0Rh 2dz2 -0.001367 0.001920 -0.000756 0.000320 0.000113 0.001318 0Rh 2dxz -0.000034 0.003966 0.000117 0.000004 -0.001015 0.000891 0Rh 2dyz -0.000463 -0.000098 -0.000072 0.000296 -0.000293 -0.000469 0Rh 2dx2y2 0.000199 -0.003472 0.002794 0.000975 0.002585 0.000086 0Rh 2dxy 0.002242 -0.002149 0.000227 -0.000748 -0.000075 0.001328 0Rh 3dz2 -0.003916 0.002894 0.049482 -0.022063 0.029474 0.017420 0Rh 3dxz -0.009406 -0.019745 -0.020569 0.001675 -0.036146 -0.025546 0Rh 3dyz -0.018686 0.010545 -0.006815 0.008513 -0.016713 -0.003722 0Rh 3dx2y2 0.022014 0.030548 -0.019527 0.032306 0.006471 -0.019017 0Rh 3dxy 0.020280 -0.021348 -0.007916 0.008244 0.030781 0.004103 0Rh 4dz2 -0.015358 0.031610 -0.007411 0.003823 0.003476 0.019695 0Rh 4dxz 0.000310 0.058731 -0.001292 0.003680 -0.021714 0.008504 0Rh 4dyz -0.006841 0.002413 -0.001769 0.006454 -0.003780 -0.005808 0Rh 4dx2y2 0.001861 -0.054713 0.039951 0.013230 0.040801 -0.001379 0Rh 4dxy 0.032279 -0.037385 0.006923 -0.010959 0.002121 0.018669 0Rh 5dz2 0.046949 -0.135630 -0.050765 0.030778 -0.055932 -0.092763 0Rh 5dxz 0.029125 -0.186248 0.018822 -0.032120 0.184499 0.025517 0Rh 5dyz 0.022458 -0.075518 -0.000301 -0.025421 0.004650 0.028609 0Rh 5dx2y2 -0.060627 0.161675 -0.102196 -0.096530 -0.194466 0.034397 0Rh 5dxy -0.176853 0.185948 -0.043827 0.039866 -0.064968 -0.080381 0Rh 1f0 -0.058686 -0.095000 -0.205834 0.031996 -0.259874 0.297450 0Rh 1f+1 0.013688 -0.156763 -0.225382 0.184733 -0.094871 0.361085 0Rh 1f-1 0.058962 0.055289 0.157150 -0.131015 -0.121772 -0.127518 0Rh 1f+2 0.071691 -0.062239 0.160103 -0.049644 -0.072121 -0.048515 0Rh 1f-2 0.067819 -0.028077 0.092520 0.009998 0.062776 -0.048341 0Rh 1f+3 0.102453 -0.071836 0.058562 0.088035 -0.173175 0.037302 0Rh 1f-3 0.252233 -0.206949 -0.151155 0.071441 0.303947 0.088174 1Rh 1s -0.001811 0.003171 -0.002745 -0.000835 0.001291 0.000133 1Rh 2s 0.013943 -0.014422 0.013535 0.007443 -0.006939 -0.001483 1Rh 3s -0.002151 0.009873 -0.007908 -0.000372 0.003369 -0.000125 1Rh 4s -0.070663 0.072327 -0.068078 -0.037769 0.034926 0.007510 1Rh 5s 0.133021 -0.094453 0.096761 0.074525 -0.052631 -0.015467 1Rh 6s -0.096776 -0.083280 0.045161 -0.065224 -0.013031 0.015417 1Rh 7s 0.307121 0.566606 -0.259546 0.329656 0.041894 -0.118624 1Rh 8s 0.135244 -0.376379 0.318891 0.284836 0.095323 -0.199156 1Rh 1pz 0.002851 -0.001609 -0.006466 0.001502 -0.002026 0.001147 1Rh 1px 0.005587 0.000176 -0.003664 -0.001528 0.001166 0.003270 1Rh 1py 0.002248 0.001533 -0.003514 -0.005252 0.004653 0.006008 1Rh 2pz -0.009945 0.005213 0.022111 -0.004678 0.007365 -0.003959 1Rh 2px -0.019369 -0.000209 0.012901 0.005309 -0.005020 -0.011358 1Rh 2py -0.007351 -0.005161 0.012198 0.018527 -0.015864 -0.021042 1Rh 3pz 0.004635 0.005868 -0.001036 -0.009446 -0.010109 0.001568 1Rh 3px 0.005805 -0.007994 -0.008889 -0.002294 0.022375 0.004553 1Rh 3py -0.007044 -0.001964 -0.004293 -0.012822 -0.000499 0.011202 1Rh 4pz 0.047666 -0.058082 -0.143797 0.069041 -0.006087 0.017738 1Rh 4px 0.112631 0.031800 -0.048955 -0.024988 -0.056560 0.057358 1Rh 4py 0.079556 0.045477 -0.065460 -0.073444 0.109459 0.098111 1Rh 5pz -0.080441 0.102445 0.261028 -0.129337 0.003352 -0.023319 1Rh 5px -0.230972 -0.048957 0.082267 0.047242 0.102900 -0.109669 1Rh 5py -0.151269 -0.092922 0.125817 0.130795 -0.206255 -0.180405 1Rh 6pz -0.071492 0.172115 -0.574308 0.537465 -0.090507 -0.011915 1Rh 6px 0.380713 0.223118 0.149951 -0.182382 -0.579234 0.291801 1Rh 6py 0.159046 0.106315 -0.806427 0.711186 0.642651 -0.476589 1Rh 1dz2 0.006217 0.004551 0.019308 0.000633 0.011083 -0.007989 1Rh 1dxz 0.002572 -0.000948 -0.007239 0.001751 -0.015203 0.007560 1Rh 1dyz 0.008561 0.004066 -0.003909 -0.002238 -0.006950 0.002258 1Rh 1dx2y2 -0.011901 0.005835 -0.008214 -0.011682 0.006965 0.007147 1Rh 1dxy -0.011997 -0.011706 -0.003072 -0.000993 0.012035 -0.003964 1Rh 2dz2 -0.001723 -0.001961 0.000767 -0.000019 -0.000076 0.001272 1Rh 2dxz -0.000461 -0.004016 -0.000202 -0.000028 0.000958 0.000831 1Rh 2dyz -0.000946 0.000055 0.000201 0.000224 0.000363 -0.000481 1Rh 2dx2y2 0.000738 0.003423 -0.002231 0.002103 -0.002722 0.000082 1Rh 2dxy 0.002079 0.002126 -0.000422 -0.000551 0.000136 0.001357 1Rh 3dz2 -0.008940 -0.003108 -0.054358 -0.001602 -0.028972 0.015547 1Rh 3dxz -0.004909 0.020439 0.019790 -0.004592 0.035704 -0.023549 1Rh 3dyz -0.018387 -0.010822 0.009364 0.004853 0.016841 -0.003951 1Rh 3dx2y2 0.028113 -0.030973 0.031657 0.021677 -0.006213 -0.019136 1Rh 3dxy 0.022587 0.021185 0.010194 0.004973 -0.032325 0.004589 1Rh 4dz2 -0.022841 -0.032295 0.007627 0.000145 -0.002815 0.018720 1Rh 4dxz -0.003984 -0.059416 0.001313 0.001709 0.020890 0.007935 1Rh 4dyz -0.013659 -0.003014 0.004355 0.004744 0.004831 -0.006179 1Rh 4dx2y2 0.011978 0.054234 -0.031980 0.029528 -0.042614 -0.001302 1Rh 4dxy 0.030297 0.037143 -0.009625 -0.006467 -0.001534 0.019056 1Rh 5dz2 0.098356 0.137548 0.061379 0.012636 0.051525 -0.084039 1Rh 5dxz 0.022474 0.187529 -0.025118 -0.019260 -0.181049 0.022848 1Rh 5dyz 0.039111 0.075049 -0.008984 -0.017373 -0.008314 0.034147 1Rh 5dx2y2 -0.125073 -0.160425 0.055480 -0.134602 0.201699 0.033773 1Rh 5dxy -0.174532 -0.186111 0.052771 0.015042 0.066499 -0.081125 1Rh 1f0 0.112693 -0.091620 -0.193908 0.027086 -0.245550 -0.302374 1Rh 1f+1 0.013480 -0.141465 -0.274562 -0.101858 -0.082792 -0.367518 1Rh 1f-1 -0.082546 0.046493 0.195048 0.055628 -0.119851 0.127204 1Rh 1f+2 -0.055365 -0.066898 0.167500 -0.027844 -0.065425 0.051055 1Rh 1f-2 -0.086219 -0.024564 0.076670 -0.037993 0.055652 0.049587 1Rh 1f+3 -0.112583 -0.067189 0.027165 -0.114338 -0.156685 -0.039675 1Rh 1f-3 -0.252088 -0.198346 -0.181172 0.003451 0.286280 -0.093622 2C 1s 0.002974 0.000355 -0.000816 0.000972 0.001786 0.000573 2C 2s 0.005770 0.001587 0.002458 0.008355 0.011801 0.003086 2C 3s 0.034782 -0.021853 -0.058236 -0.104249 -0.124004 -0.003541 2C 4s -0.523919 0.067314 0.153087 0.217181 0.303738 -0.092042 2C 5s -0.789869 0.727706 -1.720956 -1.248063 -1.806835 0.293331 2C 1pz -0.045418 0.009457 -0.055005 -0.035769 -0.029507 -0.002428 2C 1px 0.088174 0.046335 0.017363 -0.039628 0.030847 -0.022406 2C 1py -0.012634 -0.054952 0.075255 0.037725 0.014271 0.039410 2C 2pz -0.339712 0.057438 0.201261 0.158262 0.243706 0.014659 2C 2px -0.318992 -0.112181 0.012087 0.094067 -0.069095 0.107649 2C 2py -0.249404 0.156972 -0.099663 -0.088096 0.027615 -0.116589 2C 3pz -0.235812 0.197705 -0.433623 -0.314432 -0.373801 0.093884 2C 3px 0.027579 0.068064 -0.001603 0.129279 -0.122305 -0.016702 2C 3py -0.140474 0.009162 -0.167221 -0.159292 -0.306557 0.039616 2C 1dz2 0.003060 0.027196 -0.009089 0.015099 0.035189 0.008954 2C 1dxz -0.014599 -0.039643 0.044802 0.023109 0.041950 -0.002322 2C 1dyz 0.017815 0.005828 -0.012180 -0.010903 -0.012317 -0.004207 2C 1dx2y2 -0.002780 0.019728 -0.012069 -0.020580 0.011484 0.029021 2C 1dxy -0.002716 -0.041324 0.015058 0.002240 -0.012422 -0.013489 2C 2dz2 -0.063879 -0.093457 0.114886 0.025822 -0.017522 0.002988 2C 2dxz -0.125940 0.095614 -0.194411 -0.018636 -0.170552 0.041642 2C 2dyz -0.124382 0.003119 0.064120 -0.038397 0.062318 -0.034144 2C 2dx2y2 0.068373 -0.149087 0.142551 0.052743 -0.029319 -0.001352 2C 2dxy -0.109333 0.154393 -0.152003 -0.016834 0.037768 0.066556 2C 1f0 0.004532 0.024608 -0.009234 -0.021535 -0.002559 0.035511 2C 1f+1 -0.000580 -0.008341 0.003310 -0.007230 -0.007498 0.004630 2C 1f-1 -0.027154 -0.003377 0.004455 0.027858 0.017207 -0.023857 2C 1f+2 -0.018018 -0.005277 0.030696 0.046414 0.072638 -0.004112 2C 1f-2 0.006866 -0.022204 -0.004251 -0.024667 -0.024926 -0.003052 2C 1f+3 -0.028361 0.001183 0.053928 0.043487 0.081302 0.020404 2C 1f-3 0.003543 0.009316 -0.002709 -0.012735 -0.018017 0.015258 3C 1s 0.003009 -0.002693 0.000695 0.000923 -0.000846 -0.000615 3C 2s 0.012931 -0.015700 -0.001465 -0.003608 0.003702 -0.001132 3C 3s -0.084431 0.156748 -0.005194 0.096459 -0.049863 0.040195 3C 4s -0.132811 -0.318540 0.082384 -0.528366 0.130514 -0.154059 3C 5s -0.339269 2.569742 1.418126 0.229819 -1.594628 0.064953 3C 1pz 0.010735 -0.018178 -0.071499 -0.075030 -0.038357 -0.052280 3C 1px -0.072586 -0.081449 -0.010713 0.118176 -0.074962 -0.156050 3C 1py 0.039961 -0.077289 -0.000413 0.048416 -0.078913 -0.131638 3C 2pz -0.178157 -0.074022 0.251427 -0.055760 0.129356 0.134322 3C 2px 0.108905 0.184762 0.031116 -0.432200 0.213931 0.334911 3C 2py 0.069640 0.276400 0.053126 0.336071 -0.011477 0.296546 3C 3pz -0.187471 0.264736 0.238934 -0.068405 -0.319749 -0.049341 3C 3px -0.024786 0.173034 0.113534 0.087462 -0.209812 -0.117728 3C 3py 0.037670 -0.645290 -0.292736 0.017430 0.283074 -0.056735 3C 1dz2 -0.001991 0.031293 0.009513 -0.001015 -0.002493 0.013155 3C 1dxz -0.006266 -0.057459 0.036071 0.003582 0.001783 0.001095 3C 1dyz 0.003536 -0.035942 -0.021501 -0.010390 0.018155 -0.009141 3C 1dx2y2 -0.011883 0.003913 0.059793 -0.006182 -0.020118 0.014336 3C 1dxy -0.005754 0.060089 -0.006523 -0.002644 -0.005918 0.004025 3C 2dz2 -0.022869 -0.114091 0.059766 0.098124 0.019664 0.015050 3C 2dxz 0.037322 0.350391 -0.129055 -0.175610 0.145891 0.252755 3C 2dyz 0.110688 0.200511 -0.036990 -0.004717 -0.084386 0.071699 3C 2dx2y2 0.076855 0.108990 -0.159257 0.046055 0.167163 0.160335 3C 2dxy 0.014797 -0.233492 -0.019200 0.168219 0.022235 -0.083044 3C 1f0 -0.011996 0.080020 0.051916 0.045798 -0.042819 0.013518 3C 1f+1 0.000147 0.055529 0.015379 0.013087 -0.025956 -0.003937 3C 1f-1 -0.010690 0.017767 -0.007270 0.032132 -0.030326 -0.032197 3C 1f+2 0.036020 -0.075415 -0.023056 -0.036217 0.045154 0.004411 3C 1f-2 0.021688 -0.054109 -0.029471 -0.030555 0.042556 0.012544 3C 1f+3 -0.007682 -0.029762 0.009495 -0.015040 0.022788 0.017564 3C 1f-3 -0.015639 -0.031600 0.025382 0.017202 -0.011133 -0.002353 4C 1s 0.004276 -0.005169 0.000493 0.011318 -0.000682 -0.001413 4C 2s 0.014406 -0.016603 0.000586 0.036691 -0.003461 -0.003199 4C 3s -0.198324 0.044628 0.420049 0.052632 0.033717 -0.035999 4C 4s 0.758249 0.499815 -2.424557 -1.928847 -0.104610 0.404447 4C 5s 0.257532 0.223825 -0.186506 -0.121615 1.426529 0.079387 4C 1pz 0.030246 0.071649 -0.036381 -0.073457 -0.019926 -0.037427 4C 1px 0.100575 -0.137671 0.081358 -0.149531 -0.114953 0.186498 4C 1py 0.070278 0.039838 -0.024385 -0.130715 -0.113075 0.016789 4C 2pz -0.256992 0.105127 -0.419663 -0.266846 0.031259 0.176299 4C 2px -0.267498 0.230109 -0.177855 -0.063531 0.440308 -0.584023 4C 2py -0.294923 0.034099 -0.187374 -0.113328 0.394865 -0.021585 4C 3pz -0.618907 0.647670 -1.114429 -0.383806 -0.678159 0.256983 4C 3px -0.023016 -0.121819 -0.005796 -0.505050 0.143603 0.200231 4C 3py -0.386743 0.466298 -0.804445 -0.431933 -0.322506 0.209754 4C 1dz2 0.013200 -0.010703 -0.002073 -0.026666 -0.016588 -0.004585 4C 1dxz -0.007473 0.016653 -0.014561 0.013566 0.012375 -0.043105 4C 1dyz 0.000259 -0.002574 -0.005298 0.017319 0.008057 0.008125 4C 1dx2y2 0.000452 0.007413 0.025811 0.020486 -0.003806 0.004762 4C 1dxy -0.010994 0.001748 -0.007643 0.040066 -0.006642 -0.041120 4C 2dz2 0.331164 -0.293314 0.381357 0.212650 -0.108179 0.134022 4C 2dxz -0.052494 0.136462 -0.039739 0.266082 -0.015853 -0.126652 4C 2dyz 0.263593 0.065098 -0.183835 -0.061674 0.006960 0.004718 4C 2dx2y2 -0.233934 0.161161 -0.464232 -0.305486 -0.040232 0.045649 4C 2dxy -0.102250 0.095936 -0.237051 -0.057137 -0.014204 -0.036850 4C 1f0 -0.012442 0.026097 0.015983 0.023222 0.043659 0.018561 4C 1f+1 -0.018118 -0.020271 0.057979 0.040397 0.019811 0.006511 4C 1f-1 0.009903 0.015410 0.012695 0.000527 -0.022170 -0.003993 4C 1f+2 -0.011049 -0.005963 -0.009284 0.000376 0.043626 -0.000164 4C 1f-2 0.007307 -0.026111 0.018235 -0.009304 -0.015107 0.020100 4C 1f+3 -0.010069 0.008281 -0.000202 -0.000267 0.005895 -0.030723 4C 1f-3 -0.017108 -0.006541 0.019743 0.045223 -0.018106 -0.014109 5C 1s 0.012328 -0.001666 -0.006681 0.005732 -0.005296 -0.006008 5C 2s 0.042000 -0.003384 -0.022308 0.017298 -0.017487 -0.018396 5C 3s -0.228544 -0.065208 0.103723 -0.148160 0.337210 -0.025452 5C 4s -0.251880 0.543562 0.439388 0.231541 -1.258462 0.908761 5C 5s 0.177357 -1.535452 -0.173905 -0.527644 0.515692 0.432069 5C 1pz -0.045589 0.103759 0.078997 0.059783 0.030560 0.038954 5C 1px -0.000840 -0.008982 0.189910 -0.001411 -0.043030 0.065881 5C 1py 0.060227 -0.089513 -0.055667 -0.079320 0.039270 0.018101 5C 2pz -0.083146 -0.204657 -0.088586 -0.326966 -0.139631 0.127110 5C 2px -0.238950 -0.114775 -0.328326 0.034211 -0.038847 -0.446818 5C 2py 0.151516 0.100171 -0.168459 0.465560 0.045900 -0.303300 5C 3pz 0.231606 0.861253 0.443605 -0.173287 -0.359302 0.240854 5C 3px 0.079667 -0.055027 0.451215 0.082560 -0.338369 -0.327772 5C 3py -0.260867 -1.052663 -0.896622 0.326289 0.912924 -0.079004 5C 1dz2 -0.013620 -0.002393 -0.002014 0.005963 -0.010017 -0.016699 5C 1dxz -0.020508 0.001618 0.004989 -0.002303 0.008327 0.018560 5C 1dyz -0.013633 0.003927 0.004791 -0.002317 0.012720 0.016760 5C 1dx2y2 0.030845 0.007326 -0.022903 -0.025647 0.023870 -0.003401 5C 1dxy 0.005298 0.001385 0.017486 -0.004557 0.004722 0.016264 5C 2dz2 0.024333 -0.084359 -0.027600 0.090639 0.292824 0.165470 5C 2dxz 0.158641 -0.072396 -0.157977 0.184790 0.039958 -0.199816 5C 2dyz -0.101385 0.143312 -0.080736 -0.236327 0.102926 -0.085747 5C 2dx2y2 -0.357639 0.344942 0.010530 -0.326960 0.010191 0.298573 5C 2dxy -0.268444 -0.535557 0.309137 0.057297 -0.236119 -0.276476 5C 1f0 -0.001640 -0.012213 -0.010376 -0.012376 -0.007080 -0.015478 5C 1f+1 0.010868 0.008132 0.016827 -0.024161 0.000493 0.001732 5C 1f-1 0.001321 -0.035643 -0.047930 -0.005540 0.001984 -0.027112 5C 1f+2 0.006668 -0.046444 -0.014611 -0.013647 0.014999 0.015450 5C 1f-2 -0.010031 -0.012330 -0.039196 -0.004725 -0.005107 -0.001736 5C 1f+3 0.025649 -0.024992 -0.002839 -0.006517 0.009415 -0.029189 5C 1f-3 -0.030670 -0.005151 0.061304 0.001114 -0.028006 0.018936 6C 1s 0.013497 0.001773 0.008666 0.002496 0.005312 -0.005725 6C 2s 0.045980 0.003785 0.028137 0.006539 0.017498 -0.017500 6C 3s -0.155911 0.063049 -0.151923 -0.096177 -0.326743 -0.023427 6C 4s -0.847064 -0.548916 -0.359308 0.414349 1.186249 0.856254 6C 5s -0.360312 1.550339 -0.034295 -0.485477 -0.512629 0.427926 6C 1pz 0.036493 0.109751 0.048423 -0.083732 0.030548 -0.036274 6C 1px 0.007497 -0.010986 0.187999 -0.071832 -0.030202 -0.061725 6C 1py -0.055474 -0.093159 -0.020530 0.095562 0.037592 -0.020176 6C 2pz 0.225029 -0.229543 0.055617 0.322378 -0.131400 -0.122709 6C 2px 0.159318 -0.094726 -0.347218 0.090536 -0.069008 0.435845 6C 2py -0.325342 0.119897 -0.348551 -0.354350 0.035564 0.290426 6C 3pz -0.107042 0.834837 0.486505 -0.000945 -0.338595 -0.210193 6C 3px -0.069006 -0.056656 0.394416 -0.261597 -0.307265 0.330581 6C 3py 0.161818 -1.002285 -0.977141 0.040621 0.870225 0.036240 6C 1dz2 -0.017596 0.002418 0.003959 0.005101 0.009511 -0.016697 6C 1dxz -0.025924 -0.002597 -0.003682 0.001090 -0.005863 0.018148 6C 1dyz -0.013156 -0.004100 -0.005340 -0.000113 -0.012078 0.016397 6C 1dx2y2 0.032393 -0.005864 0.012989 -0.034263 -0.021451 -0.003117 6C 1dxy 0.010102 -0.002025 -0.020137 0.002143 -0.006696 0.016067 6C 2dz2 0.048820 0.074087 0.063202 0.070006 -0.291174 0.171056 6C 2dxz 0.239168 0.062549 0.225896 0.103266 -0.032988 -0.189327 6C 2dyz -0.027154 -0.133196 -0.013618 -0.256215 -0.087410 -0.088435 6C 2dx2y2 -0.407032 -0.339866 -0.142491 -0.302949 -0.003418 0.283620 6C 2dxy -0.334505 0.532544 -0.267600 0.197877 0.222160 -0.265937 6C 1f0 -0.001788 -0.013076 -0.004316 0.015472 -0.006851 0.014915 6C 1f+1 -0.019599 0.007355 0.023357 0.016955 -0.001597 -0.002176 6C 1f-1 0.004640 -0.036763 -0.042997 0.022841 0.000995 0.026382 6C 1f+2 0.003193 -0.046757 -0.008449 0.016861 0.014272 -0.015937 6C 1f-2 0.023889 -0.012754 -0.036199 0.018038 -0.007160 0.001559 6C 1f+3 -0.031852 -0.025950 -0.001649 0.007366 0.008202 0.028261 6C 1f-3 0.033763 -0.004057 0.056525 -0.026011 -0.027392 -0.018159 7C 1s 0.007600 0.004677 0.004117 0.010675 0.000448 -0.001224 7C 2s 0.025243 0.014921 0.014301 0.034307 0.002730 -0.002491 7C 3s -0.170282 -0.043929 -0.374656 0.197690 -0.033889 -0.044757 7C 4s 0.126565 -0.435580 1.507585 -2.652174 0.130398 0.424045 7C 5s -0.070238 -0.190280 0.117787 -0.209399 -1.431871 0.021333 7C 1pz -0.013579 0.068225 -0.003694 0.084424 -0.016742 0.037882 7C 1px -0.089369 -0.134176 0.135325 0.095845 -0.119589 -0.192569 7C 1py -0.047063 0.037663 0.025002 0.128490 -0.118162 -0.018011 7C 2pz 0.401827 0.090517 -0.282610 0.385213 0.023937 -0.174302 7C 2px 0.372691 0.216290 -0.140742 0.157039 0.446892 0.606908 7C 2py 0.393866 0.025931 -0.116229 0.177314 0.406666 0.030143 7C 3pz 0.997573 0.683642 -0.879693 0.734103 -0.684374 -0.290410 7C 3px 0.128633 -0.121453 0.199139 0.460919 0.141008 -0.193551 7C 3py 0.604582 0.492997 -0.584568 0.695184 -0.340387 -0.231359 7C 1dz2 0.007606 0.011427 -0.007506 -0.024366 0.018072 -0.004477 7C 1dxz -0.006373 -0.014597 0.018820 0.006521 -0.014060 -0.043765 7C 1dyz 0.001870 0.001991 0.010702 0.013622 -0.009691 0.008040 7C 1dx2y2 0.007021 -0.008769 -0.015878 0.029667 0.003029 0.004779 7C 1dxy -0.004094 -0.001626 0.023918 0.033127 0.006678 -0.040660 7C 2dz2 0.410025 0.283208 -0.277841 0.356847 0.086781 0.135663 7C 2dxz -0.001638 -0.147386 0.139898 0.221191 0.019097 -0.122912 7C 2dyz 0.252526 -0.069107 0.160339 -0.136544 0.007040 0.007972 7C 2dx2y2 -0.352721 -0.145728 0.301967 -0.445940 0.042109 0.048353 7C 2dxy -0.172077 -0.093019 0.192012 -0.129262 0.009277 -0.031567 7C 1f0 0.000119 0.027607 0.007566 -0.023998 0.044917 -0.018258 7C 1f+1 -0.000517 -0.018023 0.039323 -0.057881 0.021430 -0.006797 7C 1f-1 -0.011796 0.015936 0.011986 -0.005128 -0.020674 0.003593 7C 1f+2 0.010616 -0.007234 -0.007123 0.004456 0.045402 0.000579 7C 1f-2 -0.005888 -0.024699 0.020938 0.000151 -0.014719 -0.021045 7C 1f+3 0.006270 0.007149 -0.001100 0.001494 0.004922 0.030812 7C 1f-3 0.011562 -0.005317 -0.000053 -0.050314 -0.017510 0.014359 8C 1s 0.001570 0.002727 -0.000206 0.001313 0.000760 -0.000625 8C 2s 0.007466 0.016066 0.000269 -0.003224 -0.003746 -0.001057 8C 3s -0.043356 -0.162850 0.038052 0.080312 0.048669 0.039317 8C 4s -0.187586 0.343439 -0.270576 -0.438970 -0.119566 -0.153472 8C 5s -0.161632 -2.548071 -1.270778 0.710696 1.528022 0.002618 8C 1pz -0.017472 -0.025491 -0.036441 0.096418 -0.041359 0.052779 8C 1px 0.070508 -0.075727 -0.056637 -0.110681 -0.072322 0.150291 8C 1py -0.030752 -0.079619 -0.021281 -0.049238 -0.077331 0.130217 8C 2pz 0.201163 -0.065391 0.253787 -0.048557 0.132106 -0.134399 8C 2px -0.130561 0.167755 0.201507 0.402813 0.206453 -0.321863 8C 2py -0.108402 0.298780 -0.075686 -0.318215 -0.002915 -0.294325 8C 3pz 0.151960 0.255593 0.256869 -0.030626 -0.310946 0.059436 8C 3px -0.005385 0.173940 0.070912 -0.123631 -0.203468 0.117752 8C 3py 0.002457 -0.638687 -0.286723 0.082277 0.269665 0.042986 8C 1dz2 0.006052 -0.030805 -0.010159 0.001662 0.001752 0.012844 8C 1dxz -0.003716 0.055902 -0.030944 0.019180 -0.000818 0.001945 8C 1dyz 0.003728 0.036269 0.016863 -0.017527 -0.016938 -0.008328 8C 1dx2y2 -0.004815 -0.004488 -0.058652 0.017342 0.018921 0.013747 8C 1dxy -0.001734 -0.059903 0.003971 -0.006292 0.006018 0.003299 8C 2dz2 -0.027863 0.103008 -0.015942 0.115056 -0.022930 0.020810 8C 2dxz 0.027510 -0.340639 0.048343 -0.226327 -0.143131 0.242713 8C 2dyz 0.112629 -0.195820 0.028546 -0.026169 0.081934 0.066783 8C 2dx2y2 0.068051 -0.113052 0.163936 -0.025934 -0.163438 0.158169 8C 2dxy -0.007130 0.226139 0.089531 0.156216 -0.023813 -0.076315 8C 1f0 0.001013 0.082955 0.031537 -0.061516 -0.040875 -0.011943 8C 1f+1 -0.007952 0.053883 0.010193 -0.015172 -0.022837 0.004443 8C 1f-1 0.003768 0.017956 -0.019688 -0.025954 -0.029189 0.031850 8C 1f+2 -0.022517 -0.076368 -0.007412 0.040762 0.044233 -0.005099 8C 1f-2 -0.008326 -0.056269 -0.017162 0.039450 0.040755 -0.013332 8C 1f+3 0.008155 -0.029303 0.013709 0.009976 0.021816 -0.017923 8C 1f-3 0.013704 -0.031215 0.015652 -0.026670 -0.010849 0.001748 9C 1s 0.001859 -0.000461 0.001135 0.000518 -0.001897 0.000479 9C 2s 0.002209 -0.002114 0.000920 0.008299 -0.012119 0.002555 9C 3s 0.066079 0.026441 0.015845 -0.114757 0.129770 0.003136 9C 4s -0.594331 -0.068540 -0.071970 0.252649 -0.323534 -0.111061 9C 5s -1.104569 -0.756566 1.117429 -1.736862 1.846918 0.379207 9C 1pz 0.040325 0.008508 -0.041392 0.054583 -0.038302 0.000259 9C 1px -0.078722 0.044360 0.028832 0.037354 0.030997 0.027255 9C 1py -0.007885 -0.054847 0.062417 -0.068020 0.021866 -0.040414 9C 2pz 0.363578 0.057949 0.143631 -0.219788 0.266281 -0.002179 9C 2px 0.294924 -0.102810 -0.016023 -0.107741 -0.073463 -0.119940 9C 2py 0.339267 0.153688 -0.069846 0.122100 0.010000 0.124076 9C 3pz 0.300150 0.205152 -0.281491 0.447176 -0.383709 -0.111706 9C 3px -0.042101 0.080490 -0.055175 -0.115756 -0.117335 0.012673 9C 3py 0.193170 0.011349 -0.087605 0.187428 -0.304253 -0.053146 9C 1dz2 0.008082 -0.027269 0.013018 0.007330 -0.035948 0.008500 9C 1dxz -0.005314 0.038785 -0.033074 0.036978 -0.043314 -0.003063 9C 1dyz 0.009824 -0.005331 0.007656 -0.013709 0.011913 -0.004532 9C 1dx2y2 -0.003831 -0.020546 0.001746 -0.024856 -0.011932 0.029409 9C 1dxy -0.003216 0.041136 -0.012551 0.009355 0.012335 -0.012303 9C 2dz2 -0.063324 0.095240 -0.105182 0.077833 0.004165 0.001292 9C 2dxz -0.158892 -0.096402 0.169390 -0.073282 0.171844 0.049842 9C 2dyz -0.137594 -0.001303 -0.073961 -0.016234 -0.058769 -0.038592 9C 2dx2y2 0.084731 0.149784 -0.116030 0.112371 0.024665 -0.002228 9C 2dxy -0.106873 -0.153558 0.129865 -0.081381 -0.030559 0.068677 9C 1f0 -0.004464 0.025062 0.001861 0.024520 -0.001668 -0.035870 9C 1f+1 0.000941 -0.007349 0.005396 0.006572 -0.009673 -0.005798 9C 1f-1 0.021746 -0.003890 -0.006780 -0.027070 0.017891 0.023909 9C 1f+2 0.018197 -0.004169 0.011100 -0.052923 0.074549 0.005794 9C 1f-2 -0.011208 -0.022813 0.006337 0.022497 -0.022101 0.002020 9C 1f+3 0.031089 0.001906 0.034334 -0.058970 0.081744 -0.016629 9C 1f-3 0.001971 0.010263 0.003368 0.009834 -0.016506 -0.016390 10H 1s 0.086365 0.066751 -0.115205 -0.180658 -0.172957 0.072117 10H 2s -0.120789 0.115704 0.033785 0.270373 0.327940 -0.095035 10H 3s 0.014424 -0.005162 -0.023889 -0.110264 0.016550 0.069934 10H 1pz 0.028173 0.053349 -0.035895 -0.043696 0.015953 -0.013456 10H 1px 0.062305 -0.026293 0.042421 -0.058192 0.000090 -0.008095 10H 1py 0.041137 -0.025660 0.062523 0.004271 0.009473 0.002801 11H 1s -0.008669 -0.013447 0.008874 -0.004502 0.019306 -0.004501 11H 2s -0.067090 -0.021775 0.174457 0.151813 0.193353 0.095334 11H 3s 0.055976 0.012478 0.131867 0.165402 0.192151 -0.013402 11H 1pz -0.087818 -0.011957 -0.018485 0.030537 0.002322 0.050741 11H 1px 0.041531 0.001039 0.054013 -0.017788 0.055606 0.020747 11H 1py -0.012213 -0.041817 0.021511 0.005813 -0.033145 0.025545 12H 1s 0.011749 -0.081619 -0.055449 -0.016289 -0.142622 -0.108883 12H 2s -0.042792 -0.019097 0.243505 0.067565 0.191590 0.122597 12H 3s 0.066462 -0.183945 0.183819 0.178572 0.024929 -0.095045 12H 1pz -0.062035 0.062026 -0.141554 -0.056265 -0.033203 -0.020940 12H 1px 0.048398 0.010782 0.023153 -0.061233 0.037682 -0.005734 12H 1py -0.039559 -0.041942 0.023293 0.013844 -0.037641 0.014506 13H 1s -0.040228 0.283646 0.061607 0.104399 -0.143632 -0.029762 13H 2s 0.084022 -0.309386 -0.152284 -0.223295 0.260424 0.117273 13H 3s -0.035346 0.071278 -0.046036 -0.117436 0.026912 0.058885 13H 1pz -0.003706 -0.038411 -0.012269 0.001184 -0.053079 -0.074967 13H 1px -0.055772 -0.096443 0.053345 0.128142 -0.094208 -0.146169 13H 1py 0.063498 -0.012992 -0.044715 -0.040345 -0.010892 -0.028118 14H 1s -0.069869 0.062002 0.145108 0.060307 -0.064881 0.045116 14H 2s 0.147975 -0.341265 -0.041952 -0.161784 0.122728 -0.056210 14H 3s -0.053804 -0.264849 0.018525 0.026887 -0.023807 -0.131005 14H 1pz 0.057622 0.044803 0.003020 -0.099276 0.004965 0.055335 14H 1px -0.046163 -0.093790 0.052147 0.045379 -0.025494 -0.060197 14H 1py 0.018249 -0.138661 -0.029569 0.049740 -0.078249 -0.162811 15H 1s -0.029376 0.014480 -0.056067 0.060568 -0.043566 -0.062349 15H 2s 0.177123 -0.221173 -0.154386 -0.184816 0.253146 0.023341 15H 3s 0.139718 -0.155247 -0.179071 0.019726 0.160324 -0.022702 15H 1pz 0.000275 0.035087 0.013234 -0.038857 -0.110623 -0.058946 15H 1px -0.050090 -0.084293 0.004778 0.078721 -0.089169 -0.150050 15H 1py -0.033911 -0.032127 0.068255 0.091451 -0.020615 -0.021313 16H 1s -0.204488 0.050624 -0.088831 0.053765 0.074563 0.023667 16H 2s 0.589825 -0.111637 0.319081 -0.210125 -0.264606 -0.097058 16H 3s -0.199022 -0.024997 -0.099373 0.147278 0.047654 0.069749 16H 1pz 0.248555 -0.025576 0.088838 -0.171096 -0.047611 -0.050286 16H 1px -0.195843 0.169625 -0.013928 -0.271314 0.112231 -0.038250 16H 1py -0.013572 0.158003 0.050290 -0.258983 0.010810 -0.052533 17H 1s -0.123933 0.082360 -0.101795 -0.107587 0.116838 -0.027767 17H 2s 0.350306 -0.266960 0.266626 0.327146 -0.433764 0.120338 17H 3s -0.073718 0.027571 -0.074393 -0.260960 0.230251 -0.019053 17H 1pz 0.097819 -0.005014 0.055928 -0.196721 0.179256 -0.067641 17H 1px -0.313757 0.191642 -0.158762 0.007538 -0.036744 -0.050996 17H 1py -0.191834 0.070099 -0.075149 0.225647 -0.226856 0.068920 18H 1s -0.118770 -0.076586 0.051978 -0.136954 -0.114226 -0.029025 18H 2s 0.338541 0.251550 -0.120089 0.399971 0.422938 0.128013 18H 3s -0.092865 -0.020261 -0.029810 -0.267976 -0.223690 -0.024171 18H 1pz -0.073818 -0.009772 0.125313 0.164577 0.174788 0.074829 18H 1px 0.264041 0.185685 -0.145128 0.055200 -0.033094 0.047308 18H 1py 0.148183 0.075917 -0.150801 -0.173442 -0.214768 -0.075955 19H 1s -0.173234 -0.048788 0.098438 0.015548 -0.076027 0.024890 19H 2s 0.481020 0.107253 -0.362107 -0.072589 0.270797 -0.103021 19H 3s -0.121202 0.027650 0.140740 0.098555 -0.057696 0.075743 19H 1pz -0.220565 -0.029733 0.139447 0.122609 -0.051982 0.050763 19H 1px 0.276172 0.161863 0.094003 0.256175 0.098114 0.048170 19H 1py 0.113833 0.154985 0.150710 0.221967 -0.003218 0.065101 20H 1s -0.014839 -0.015000 0.077502 0.033467 0.043985 -0.061078 20H 2s 0.132500 0.228853 0.072382 -0.227986 -0.245672 0.026630 20H 3s 0.134063 0.153792 0.182054 -0.051818 -0.155597 -0.015273 20H 1pz -0.012747 0.029016 0.028004 0.029919 -0.110594 0.061009 20H 1px 0.047406 -0.081708 -0.026042 -0.079590 -0.085644 0.145951 20H 1py 0.031276 -0.026972 0.027202 -0.113042 -0.018104 0.020284 21H 1s -0.044322 -0.067439 -0.109117 0.112284 0.065190 0.043323 21H 2s 0.117497 0.347445 -0.026816 -0.161856 -0.124440 -0.050549 21H 3s -0.045246 0.260876 0.000878 0.044178 0.028190 -0.123728 21H 1pz -0.064767 0.037746 0.043446 0.093443 0.003543 -0.052511 21H 1px 0.041853 -0.088636 0.031153 -0.066116 -0.023118 0.057045 21H 1py -0.015443 -0.140852 -0.048004 -0.039529 -0.077171 0.158801 22H 1s -0.005865 -0.286323 -0.023976 0.113835 0.134107 -0.033158 22H 2s -0.001424 0.319277 0.063770 -0.258716 -0.245455 0.117700 22H 3s -0.038421 -0.065291 -0.007959 -0.126724 -0.027392 0.056144 22H 1pz 0.006529 -0.041268 -0.011969 0.000859 -0.053178 0.073851 22H 1px 0.049490 -0.090090 -0.000877 -0.145139 -0.089727 0.140986 22H 1py -0.072431 -0.017062 -0.025317 0.056042 -0.011965 0.027741 23H 1s 0.024979 0.084560 0.050178 -0.030063 0.143629 -0.103107 23H 2s -0.083440 0.011054 -0.202258 0.158079 -0.188988 0.110879 23H 3s 0.104367 0.185329 -0.103073 0.240589 -0.037857 -0.097212 23H 1pz 0.073956 0.061794 -0.115573 0.108993 -0.043436 0.018284 23H 1px -0.034096 0.009988 0.042255 0.053731 0.035364 0.009677 23H 1py 0.045978 -0.039917 0.016886 -0.027957 -0.038368 -0.015852 24H 1s 0.015568 0.014319 -0.013000 -0.003571 -0.024413 -0.003541 24H 2s -0.055823 0.013095 -0.104681 0.196127 -0.188399 0.090188 24H 3s 0.099889 -0.018985 -0.057199 0.184950 -0.199008 -0.021971 24H 1pz 0.076269 -0.008590 -0.026011 -0.023298 0.001552 -0.054329 24H 1px -0.041355 0.000991 0.058142 0.001150 0.056943 -0.017637 24H 1py 0.014886 -0.042192 0.024758 -0.022381 -0.024069 -0.027389 25H 1s 0.069959 -0.065527 0.035941 -0.206946 0.176038 0.076944 25H 2s -0.138940 -0.114549 0.074553 0.253992 -0.333280 -0.106850 25H 3s 0.005009 0.011561 -0.024640 -0.110504 -0.014923 0.067444 25H 1pz -0.011705 0.051063 -0.018899 0.058150 0.013972 0.015781 25H 1px -0.057631 -0.027233 0.060607 0.041503 0.000253 0.010370 25H 1py -0.038611 -0.026937 0.060082 -0.030043 0.016006 -0.000999 26O 1s 0.000305 0.004093 -0.006701 0.000307 -0.000379 -0.000568 26O 2s 0.001153 0.010097 -0.017824 0.000081 -0.002038 -0.000474 26O 3s -0.016859 -0.000369 0.016059 0.000618 0.029825 -0.021802 26O 4s 0.153173 -0.328868 0.437187 -0.103400 -0.116538 0.167349 26O 5s 0.291270 -0.082172 0.733364 1.470566 -0.329204 -0.021626 26O 1pz 0.002108 -0.014271 0.006192 -0.035881 -0.051741 0.020657 26O 1px 0.021641 -0.008897 -0.000317 -0.083384 -0.032749 0.023842 26O 1py 0.003980 0.033268 -0.015618 -0.071676 -0.021327 0.033512 26O 2pz -0.048940 0.022390 -0.038463 0.013534 0.055049 -0.047586 26O 2px -0.140677 0.153618 -0.285510 0.011284 0.112637 -0.151303 26O 2py -0.091655 0.035308 -0.124327 0.031307 0.059633 -0.107331 26O 3pz 0.094302 0.085410 -0.097156 -0.338573 0.185687 0.115982 26O 3px 0.033079 0.156047 -0.680432 -0.988492 0.228497 0.216441 26O 3py 0.115797 0.172993 -0.416119 -0.592472 0.023323 0.157552 26O 1dz2 0.004105 0.000716 0.001043 -0.005647 0.002088 -0.000549 26O 1dxz -0.000495 0.004560 -0.002146 -0.003113 0.000864 0.001221 26O 1dyz 0.003007 0.003101 -0.000620 -0.000862 -0.003706 0.003608 26O 1dx2y2 -0.004237 0.000966 -0.000121 0.006784 0.004774 -0.009826 26O 1dxy -0.001748 0.003458 0.000710 0.004203 0.002323 -0.001809 26O 2dz2 0.014047 0.106101 -0.140247 -0.251965 0.017444 -0.013490 26O 2dxz 0.032481 0.081889 -0.089209 0.087487 -0.040820 0.020003 26O 2dyz -0.004804 0.100314 -0.002522 0.099309 -0.021759 0.026483 26O 2dx2y2 -0.096545 0.012995 0.033006 0.234738 0.020252 -0.134982 26O 2dxy -0.016383 0.008985 0.139699 0.314379 0.085693 -0.064193 26O 1f0 -0.001817 -0.001493 0.003108 -0.001925 -0.002990 0.006120 26O 1f+1 0.000814 -0.002025 0.001606 -0.001039 -0.003356 0.002794 26O 1f-1 -0.001872 0.001484 -0.000454 -0.001382 0.001302 -0.000386 26O 1f+2 0.003097 0.001527 -0.001249 -0.000435 -0.003432 0.003038 26O 1f-2 -0.003077 0.001532 -0.003347 0.007158 0.003850 -0.007223 26O 1f+3 0.001407 -0.002825 0.000012 0.001773 -0.003015 0.000015 26O 1f-3 0.003046 -0.007301 0.012324 -0.002740 -0.005436 0.007203 27O 1s 0.000251 0.005621 -0.001135 0.001331 -0.001215 -0.001452 27O 2s 0.001718 0.014353 -0.001246 0.004047 -0.003909 -0.003976 27O 3s -0.036859 -0.011746 -0.035613 -0.020568 0.013286 0.017409 27O 4s 0.180143 -0.431306 0.339781 0.062222 0.024128 -0.012852 27O 5s 0.184399 0.357213 -0.695733 0.330575 0.348351 -0.301559 27O 1pz -0.027263 0.074088 -0.032710 -0.013097 -0.005878 0.017127 27O 1px -0.030289 0.025314 0.056671 -0.020356 -0.015546 0.032588 27O 1py 0.058079 -0.003129 -0.045200 -0.000238 0.066417 0.054647 27O 2pz 0.012128 -0.084024 0.036193 -0.016303 0.021018 0.017995 27O 2px -0.070902 0.141947 -0.165352 -0.062447 -0.036326 0.022621 27O 2py -0.004556 -0.001155 0.036333 0.046594 -0.011592 -0.062223 27O 3pz -0.161212 0.147235 0.130300 0.080287 -0.112724 -0.104064 27O 3px -0.136738 0.030948 0.426304 -0.139171 -0.387309 0.158771 27O 3py 0.396836 0.149327 -0.043575 -0.200344 0.191257 0.246968 27O 1dz2 0.000087 0.002032 0.006698 -0.001207 -0.007139 -0.003378 27O 1dxz -0.002325 0.003337 0.001860 0.001067 -0.003149 -0.003471 27O 1dyz 0.002926 -0.004163 -0.002816 -0.002771 0.002910 0.007365 27O 1dx2y2 0.004046 0.001047 -0.001756 -0.006613 0.000312 -0.002198 27O 1dxy -0.000019 -0.006883 0.002006 0.000047 -0.002269 -0.001676 27O 2dz2 -0.052834 -0.008972 0.170192 -0.015992 -0.193345 -0.084210 27O 2dxz 0.050840 -0.072247 -0.039997 0.068856 -0.072690 -0.063650 27O 2dyz 0.108324 -0.055115 0.038122 -0.017795 0.055378 0.149899 27O 2dx2y2 0.134040 -0.137759 -0.135842 0.002359 0.004221 -0.176338 27O 2dxy -0.257348 -0.209740 0.150938 0.039611 -0.087338 -0.084983 27O 1f0 0.001260 0.000618 -0.000491 0.000103 0.002393 -0.000587 27O 1f+1 0.001397 -0.006656 0.005630 0.000376 -0.000040 -0.001759 27O 1f-1 -0.001331 0.002074 -0.000577 -0.001633 -0.002552 -0.004764 27O 1f+2 -0.001608 0.003316 0.001845 0.001140 0.001315 0.000814 27O 1f-2 -0.000939 0.003425 0.003558 0.002477 -0.001343 -0.001386 27O 1f+3 0.001212 0.000047 0.005860 -0.002153 0.001463 0.004900 27O 1f-3 -0.001407 -0.000113 -0.007883 0.005718 -0.003433 -0.004239 28O 1s 0.001400 -0.002339 -0.000634 -0.001030 -0.002706 0.002236 28O 2s 0.004609 -0.004505 -0.002768 -0.002311 -0.006731 0.005465 28O 3s -0.024404 -0.028139 0.015599 -0.014143 0.012234 -0.003350 28O 4s 0.026596 0.413558 -0.117368 0.096730 0.066797 -0.105897 28O 5s -0.058379 -1.106144 1.428062 1.077268 0.257985 -0.544882 28O 1pz -0.089839 0.039964 -0.074027 -0.027091 -0.011152 0.004324 28O 1px -0.019011 -0.045443 0.021717 0.036960 -0.009079 -0.000506 28O 1py -0.045503 -0.030289 -0.003437 0.016687 -0.031850 -0.013382 28O 2pz 0.087981 -0.070584 -0.066834 -0.142087 -0.032810 0.125630 28O 2px -0.027214 0.118087 0.038356 0.103181 0.043731 -0.129523 28O 2py 0.025631 0.055831 -0.029121 -0.063108 0.054541 0.066998 28O 3pz -0.101769 0.329219 -0.688623 -0.238424 0.073785 -0.063247 28O 3px -0.214802 -0.372462 0.605970 0.343054 0.103077 -0.214193 28O 3py -0.095383 -0.219220 -0.055412 0.077643 -0.256431 -0.095068 28O 1dz2 -0.004928 0.001956 0.003942 -0.000543 0.004284 0.001771 28O 1dxz -0.004037 0.004410 -0.003771 0.001678 0.004605 -0.004227 28O 1dyz -0.004455 -0.003295 0.000688 0.000119 -0.008999 -0.001997 28O 1dx2y2 0.001598 0.002552 0.003621 -0.001987 0.006075 0.007878 28O 1dxy -0.001018 -0.000469 -0.000541 0.000911 -0.001542 0.001706 28O 2dz2 0.080212 -0.109202 0.208314 0.058037 0.053352 0.017107 28O 2dxz -0.099675 0.221941 -0.261473 -0.186504 0.077693 -0.024749 28O 2dyz -0.052291 -0.120488 0.088778 0.013732 -0.018045 0.007766 28O 2dx2y2 -0.066362 -0.009157 0.123230 0.030191 0.072705 0.029665 28O 2dxy -0.108911 -0.066477 0.020628 0.002132 -0.105572 0.023839 28O 1f0 0.002456 -0.002612 0.000063 0.000120 -0.005526 -0.003913 28O 1f+1 -0.000312 0.006009 0.002243 0.005943 0.003343 -0.004620 28O 1f-1 0.005627 -0.003533 -0.002133 -0.004311 0.001669 0.007301 28O 1f+2 0.000725 -0.006938 -0.000984 -0.002595 -0.006750 0.004542 28O 1f-2 -0.000406 0.002181 0.000314 0.003225 0.001471 -0.006007 28O 1f+3 0.001871 -0.003919 -0.000478 -0.001511 -0.001062 0.001973 28O 1f-3 -0.000482 0.002802 0.002311 0.001186 0.002776 0.000114 29O 1s -0.004505 0.005686 -0.006663 0.001655 0.006235 -0.000599 29O 2s -0.018812 0.018995 -0.022425 0.004482 0.021512 -0.002278 29O 3s 0.202311 -0.123804 0.156803 -0.014319 -0.171628 0.023089 29O 4s -0.593360 0.223274 -0.262636 -0.031498 0.297229 -0.067889 29O 5s 0.163224 -0.052817 -0.182595 -0.011379 0.354607 0.089749 29O 1pz -0.055853 0.008578 0.002269 0.014600 0.000964 0.004211 29O 1px 0.087122 -0.047802 0.040657 0.037195 -0.018326 0.008067 29O 1py -0.029926 -0.003913 -0.035046 -0.011543 0.040827 0.008742 29O 2pz 0.222645 0.058280 0.069584 -0.361289 0.057857 -0.113930 29O 2px -0.067789 0.068833 -0.073764 -0.121683 0.187455 -0.070023 29O 2py 0.168823 -0.039217 0.105987 0.053260 -0.164126 0.015604 29O 3pz -0.083107 -0.011141 -0.000210 0.234179 -0.024182 0.038938 29O 3px -0.009403 -0.001372 0.121563 0.074149 -0.232195 0.006401 29O 3py 0.182850 -0.168364 0.140725 0.004190 -0.076309 -0.014716 29O 1dz2 0.000440 0.003105 0.000638 -0.006688 -0.000858 -0.000118 29O 1dxz -0.004584 -0.000654 -0.000260 0.002266 -0.003551 0.002351 29O 1dyz 0.003019 0.000301 0.001601 -0.005966 0.001882 -0.002005 29O 1dx2y2 0.000286 -0.000101 -0.001452 0.005213 0.003540 -0.000665 29O 1dxy -0.001612 0.002314 0.001712 -0.000839 0.002939 -0.002803 29O 2dz2 -0.064380 -0.006405 -0.062331 0.120512 -0.082856 0.025879 29O 2dxz -0.098981 0.117272 0.026124 -0.287394 0.104034 -0.030087 29O 2dyz 0.092629 -0.010612 0.073170 -0.168080 0.087462 -0.007276 29O 2dx2y2 0.349178 -0.233818 0.103652 -0.008848 0.201157 -0.007924 29O 2dxy -0.133676 0.083650 -0.045026 -0.054761 0.053470 -0.015381 29O 1f0 0.024155 -0.007715 0.010642 -0.001759 -0.010976 -0.000450 29O 1f+1 -0.007958 0.007229 -0.003138 -0.009137 0.006710 -0.003087 29O 1f-1 0.021906 0.000769 0.010757 -0.013639 -0.012109 -0.003790 29O 1f+2 -0.014129 0.003475 -0.006094 0.006379 -0.000183 0.002221 29O 1f-2 0.003219 -0.007651 0.004767 0.020958 -0.016479 0.008860 29O 1f+3 -0.000868 0.002886 -0.001158 -0.008757 0.003934 -0.002804 29O 1f-3 0.001223 0.002096 -0.004066 -0.011398 0.006849 -0.002607 30O 1s 0.000331 0.000353 0.003482 -0.002796 -0.003909 0.002478 30O 2s 0.000880 0.002188 0.008894 -0.007014 -0.011007 0.005969 30O 3s -0.014484 -0.045232 -0.005524 0.008062 0.028674 0.000938 30O 4s 0.116076 0.380050 -0.239674 0.122733 0.138785 -0.072350 30O 5s -0.008472 -0.815289 -0.345374 0.184223 0.359189 -0.732347 30O 1pz -0.038774 0.000031 0.020161 -0.012125 -0.007459 -0.001809 30O 1px 0.003899 -0.003323 -0.008659 -0.045895 0.000646 -0.002144 30O 1py 0.014343 -0.110433 0.030271 0.069979 -0.035697 -0.077611 30O 2pz 0.003158 -0.058102 0.021919 -0.009370 -0.064569 0.022079 30O 2px 0.025988 0.102032 -0.097993 0.056221 0.092030 -0.071568 30O 2py 0.034578 0.117290 -0.110230 -0.008625 0.092482 -0.008177 30O 3pz -0.255558 0.041173 0.472336 -0.285088 -0.344713 0.216697 30O 3px -0.086202 -0.155591 -0.152749 0.009877 0.235476 -0.263371 30O 3py 0.318222 -0.261531 -0.091203 0.290456 -0.002172 -0.635822 30O 1dz2 -0.003324 0.000769 0.008079 -0.000714 -0.001480 0.003114 30O 1dxz -0.001024 0.004278 0.003705 -0.000737 -0.001564 0.001174 30O 1dyz -0.001966 -0.003736 -0.008047 0.006613 0.000561 -0.005809 30O 1dx2y2 -0.000619 0.000311 0.003661 0.003499 -0.003496 -0.000322 30O 1dxy 0.000945 -0.005455 0.002577 0.001896 -0.001953 -0.005667 30O 2dz2 0.022677 0.108674 -0.001346 -0.000020 0.071643 0.142214 30O 2dxz -0.086807 0.031726 0.158327 -0.033422 -0.117724 -0.008170 30O 2dyz -0.111721 0.149674 -0.068742 0.043489 -0.045267 0.048167 30O 2dx2y2 -0.066427 0.182723 -0.005405 -0.122700 0.026311 0.077963 30O 2dxy 0.167005 -0.137987 -0.004702 0.108036 -0.099612 -0.280314 30O 1f0 0.002028 0.006302 -0.006467 0.000268 0.002872 -0.004035 30O 1f+1 0.000509 -0.001528 -0.002181 -0.000021 0.001935 0.000191 30O 1f-1 -0.001377 0.001885 0.005142 -0.000820 0.001023 0.003205 30O 1f+2 -0.000256 0.000334 0.000495 -0.002480 0.001554 0.001521 30O 1f-2 0.003852 -0.000961 0.003462 -0.003819 -0.005511 0.005533 30O 1f+3 -0.001367 -0.002218 -0.001128 0.000667 0.002618 -0.003029 30O 1f-3 0.003428 -0.001412 -0.002984 -0.003703 0.001564 0.002818 31O 1s 0.000042 -0.000257 -0.004429 -0.001250 0.003829 0.002397 31O 2s 0.000143 -0.001917 -0.011248 -0.003085 0.010817 0.005739 31O 3s -0.020552 0.044404 0.008330 0.006791 -0.028878 0.001675 31O 4s 0.160712 -0.380365 0.274232 0.008079 -0.134617 -0.074763 31O 5s 0.487741 0.772682 0.436142 0.024652 -0.290185 -0.683886 31O 1pz 0.034564 0.001525 0.023512 0.002931 -0.007845 0.002148 31O 1px -0.021306 -0.005016 0.009282 0.046918 -0.002507 0.001913 31O 1py -0.006961 -0.107995 -0.000123 -0.080261 -0.034240 0.074616 31O 2pz 0.046860 -0.063042 0.030035 -0.003263 -0.055718 -0.020931 31O 2px -0.064843 0.105275 -0.118298 -0.009099 0.085639 0.070297 31O 2py -0.087463 0.119008 -0.105488 0.057771 0.082355 0.007471 31O 3pz 0.381884 0.030605 0.552897 0.063149 -0.344361 -0.199575 31O 3px -0.160127 -0.140637 -0.158041 0.066017 0.205287 0.248591 31O 3py -0.516434 -0.251260 -0.200954 -0.224793 0.005719 0.609917 31O 1dz2 -0.002622 -0.000951 -0.007552 0.002536 0.001752 0.003053 31O 1dxz -0.000506 -0.004349 -0.003492 0.000726 0.001858 0.001044 31O 1dyz -0.003580 0.003613 0.010085 0.003311 -0.000682 -0.005664 31O 1dx2y2 -0.000266 -0.000568 -0.002203 0.004799 0.003178 -0.000284 31O 1dxy 0.000219 0.005546 -0.001831 0.002940 0.001601 -0.005549 31O 2dz2 0.005603 -0.109368 0.003005 -0.002471 -0.070102 0.138513 31O 2dxz -0.125849 -0.030097 -0.160089 0.037105 0.115816 -0.013018 31O 2dyz -0.160807 -0.149904 0.078279 0.014662 0.042877 0.044412 31O 2dx2y2 -0.038151 -0.179165 -0.044918 -0.120554 -0.021047 0.073454 31O 2dxy 0.212873 0.138493 0.048563 0.098046 0.097668 -0.272301 31O 1f0 -0.003874 0.006344 -0.006521 0.002527 0.002394 0.003968 31O 1f+1 -0.000142 -0.001544 -0.001921 0.000764 0.002014 -0.000230 31O 1f-1 0.000234 0.002097 0.004816 -0.001232 0.000680 -0.003156 31O 1f+2 0.000086 0.000284 0.001206 0.002282 0.001266 -0.001584 31O 1f-2 -0.002799 -0.001216 0.005067 0.002222 -0.005100 -0.005420 31O 1f+3 0.002208 -0.002318 -0.001388 -0.000266 0.002579 0.003024 31O 1f-3 -0.002077 -0.001840 -0.001148 0.004662 0.001627 -0.002684 32O 1s -0.003409 -0.005616 0.006702 -0.001029 -0.006217 -0.000645 32O 2s -0.015000 -0.018680 0.022092 -0.004445 -0.021439 -0.002424 32O 3s 0.170300 0.119985 -0.147271 0.046334 0.171100 0.023865 32O 4s -0.536023 -0.211839 0.223034 -0.127846 -0.295121 -0.068338 32O 5s 0.231838 0.053515 0.162536 -0.080208 -0.359035 0.087822 32O 1pz 0.047914 0.008592 -0.000579 -0.014817 -0.000114 -0.004043 32O 1px -0.086059 -0.045293 0.022169 -0.049708 -0.018310 -0.008564 32O 1py 0.020337 -0.005347 -0.027698 0.023451 0.041324 -0.009689 32O 2pz -0.145091 0.052972 0.193597 0.309433 0.049851 0.122550 32O 2px 0.059004 0.062733 -0.024003 0.138627 0.184865 0.072880 32O 2py -0.143996 -0.032265 0.080410 -0.080858 -0.161309 -0.012223 32O 3pz 0.015329 -0.005951 -0.088350 -0.215973 -0.013681 -0.042442 32O 3px 0.040979 0.003971 0.082775 -0.113750 -0.232572 -0.008629 32O 3py -0.182827 -0.167133 0.122585 -0.063904 -0.073517 0.012717 32O 1dz2 -0.001489 -0.002969 -0.002979 -0.005587 0.001200 -0.000119 32O 1dxz -0.003869 0.000665 0.001103 0.002078 0.003526 0.002532 32O 1dyz 0.002454 -0.000302 -0.003735 -0.005175 -0.001659 -0.002148 32O 1dx2y2 0.001511 0.000019 0.003549 0.004448 -0.003553 -0.000519 32O 1dxy -0.001251 -0.002227 -0.001802 0.000043 -0.002867 -0.002871 32O 2dz2 -0.012802 0.005052 0.105872 0.089737 0.077650 0.032817 32O 2dxz -0.195765 -0.110033 -0.137801 -0.254403 -0.088704 -0.042036 32O 2dyz 0.021989 0.015955 -0.130481 -0.123827 -0.080424 -0.014857 32O 2dx2y2 0.354900 0.232754 -0.088669 0.039644 -0.197986 -0.009661 32O 2dxy -0.141029 -0.079550 0.013015 -0.073638 -0.055182 -0.019364 32O 1f0 -0.020371 -0.007334 0.009340 -0.002640 -0.010214 0.000277 32O 1f+1 0.009391 0.007174 0.000565 0.010258 0.007111 0.003582 32O 1f-1 -0.016881 0.000569 0.014987 0.008157 -0.013244 0.004001 32O 1f+2 0.012217 0.003491 -0.008268 -0.003306 0.000903 -0.002393 32O 1f-2 -0.003487 -0.006681 -0.003734 -0.021058 -0.015635 -0.009294 32O 1f+3 0.001767 0.002402 0.002126 0.007792 0.003084 0.002683 32O 1f-3 -0.000801 0.001641 0.000800 0.012198 0.006550 0.002791 33O 1s 0.000373 0.002276 0.000226 -0.000897 0.002821 0.002382 33O 2s 0.001564 0.004334 0.001777 -0.002469 0.007022 0.005811 33O 3s -0.013977 0.029555 -0.020333 -0.007070 -0.012559 -0.003506 33O 4s 0.020045 -0.417267 0.145745 0.024818 -0.070885 -0.113525 33O 5s 0.337095 1.082553 -0.900383 1.516262 -0.266988 -0.546897 33O 1pz 0.092104 0.039034 -0.056914 0.052918 -0.012764 -0.005932 33O 1px 0.004282 -0.044610 0.006494 -0.043462 -0.009337 -0.000899 33O 1py 0.035409 -0.029628 -0.009627 -0.017330 -0.031447 0.010298 33O 2pz -0.054405 -0.073356 -0.007250 0.147781 -0.035797 -0.126845 33O 2px 0.015808 0.119809 -0.005263 -0.099842 0.046419 0.133354 33O 2py -0.011688 0.054769 -0.000619 0.071333 0.054677 -0.064209 33O 3pz 0.251890 0.305228 -0.548067 0.477710 0.065736 0.056767 33O 3px -0.007370 -0.357112 0.425638 -0.530150 0.092375 0.212862 33O 3py 0.156105 -0.230603 -0.078979 -0.078580 -0.250995 0.086297 33O 1dz2 -0.003301 -0.001991 -0.004164 0.000782 -0.004559 0.001824 33O 1dxz -0.003648 -0.004298 0.004118 -0.000289 -0.004632 -0.004281 33O 1dyz -0.004891 0.003170 -0.000375 0.000859 0.009366 -0.001647 33O 1dx2y2 0.002242 -0.002755 -0.004281 -0.000848 -0.006045 0.007712 33O 1dxy -0.000883 0.000399 0.000737 0.000768 0.001472 0.001789 33O 2dz2 0.110781 0.103776 -0.171498 0.136110 -0.061458 0.016252 33O 2dxz -0.158330 -0.210744 0.171370 -0.277440 -0.072080 -0.027026 33O 2dyz -0.033327 0.116100 -0.073529 0.046021 0.025979 0.010402 33O 2dx2y2 -0.026051 0.004461 -0.101745 0.067554 -0.067291 0.028742 33O 2dxy -0.112738 0.069307 -0.024478 0.023328 0.100470 0.027556 33O 1f0 -0.001254 -0.002591 -0.000295 -0.000306 -0.005737 0.003929 33O 1f+1 0.000025 0.006001 -0.000254 -0.005906 0.003681 0.004927 33O 1f-1 -0.004471 -0.003489 -0.000205 0.004530 0.001560 -0.007318 33O 1f+2 -0.000686 -0.006826 -0.000050 0.002055 -0.007062 -0.004884 33O 1f-2 -0.000004 0.002038 -0.001065 -0.002951 0.001529 0.006132 33O 1f+3 -0.001201 -0.003925 -0.000032 0.001267 -0.001249 -0.002053 33O 1f-3 0.000071 0.002753 0.001782 -0.001702 0.002872 0.000068 34O 1s 0.000105 -0.005701 0.001607 0.000655 0.001274 -0.001549 34O 2s 0.001062 -0.014572 0.002801 0.002901 0.003988 -0.004262 34O 3s -0.033058 0.012142 0.025154 -0.031882 -0.011885 0.018202 34O 4s 0.162028 0.432972 -0.294338 0.196811 -0.040274 -0.009480 34O 5s 0.419874 -0.372113 0.783209 0.012686 -0.313366 -0.273706 34O 1pz 0.023006 0.072842 -0.023447 0.026797 -0.004950 -0.016239 34O 1px 0.038043 0.023731 0.063855 -0.002992 -0.012193 -0.030353 34O 1py -0.051040 -0.004270 -0.043773 0.019449 0.064580 -0.053112 34O 2pz 0.000684 -0.083293 0.037477 -0.001818 0.019098 -0.018240 34O 2px 0.086126 0.142403 -0.136192 0.123542 -0.048054 -0.020043 34O 2py -0.016547 0.000962 0.018712 -0.057690 -0.008114 0.060103 34O 3pz 0.125520 0.150452 0.095126 -0.124093 -0.107439 0.104948 34O 3px 0.300412 0.036731 0.466474 -0.053067 -0.354789 -0.135832 34O 3py -0.455631 0.126821 0.028997 0.222697 0.180160 -0.242245 34O 1dz2 0.000213 -0.001817 -0.006856 0.001522 0.006842 -0.003462 34O 1dxz -0.001483 -0.003299 -0.001532 0.001564 0.002819 -0.003490 34O 1dyz 0.001470 0.004149 0.001638 -0.003576 -0.002725 0.007320 34O 1dx2y2 0.004427 -0.000658 -0.000484 -0.007024 0.000256 -0.002217 34O 1dxy -0.000549 0.006901 -0.001619 0.001129 0.002434 -0.001568 34O 2dz2 -0.076097 0.012651 -0.169200 0.054552 0.184764 -0.088278 34O 2dxz 0.045975 0.069662 0.063292 0.048332 0.068938 -0.060088 34O 2dyz 0.086239 0.054225 -0.042321 -0.002216 -0.057533 0.147316 34O 2dx2y2 0.171174 0.142418 0.137651 -0.051506 0.006144 -0.167385 34O 2dxy -0.276713 0.202445 -0.125101 0.105907 0.085128 -0.082458 34O 1f0 -0.002368 0.000509 -0.000247 0.000283 0.002646 0.000596 34O 1f+1 -0.001591 -0.006790 0.005436 -0.002700 0.000389 0.001781 34O 1f-1 0.000860 0.001909 -0.000065 0.001776 -0.002730 0.004751 34O 1f+2 0.000618 0.003339 0.001351 -0.001678 0.001415 -0.000780 34O 1f-2 -0.000062 0.003409 0.002759 -0.003432 -0.000811 0.001418 34O 1f+3 -0.000942 -0.000046 0.006348 -0.000290 0.001590 -0.004780 34O 1f-3 0.002111 0.000048 -0.009799 -0.002442 -0.003607 0.004075 35O 1s 0.000284 -0.003989 0.006300 -0.002309 0.000357 -0.000488 35O 2s 0.001042 -0.009851 0.016474 -0.006752 0.002022 -0.000210 35O 3s -0.022244 0.001141 -0.014652 0.005510 -0.030098 -0.023496 35O 4s 0.175479 0.318972 -0.442003 0.080969 0.116984 0.169797 35O 5s 0.818908 0.055524 -0.109221 1.613115 0.316655 -0.012360 35O 1pz 0.000159 -0.015260 0.020554 0.028646 -0.051497 -0.021541 35O 1px 0.002615 -0.009558 0.032284 0.073529 -0.034354 -0.025079 35O 1py 0.004120 0.032713 0.014231 0.072995 -0.022521 -0.033584 35O 2pz 0.070130 0.021559 -0.041439 0.002346 0.055799 0.049284 35O 2px 0.182053 0.146758 -0.268285 0.102725 0.113810 0.153626 35O 2py 0.115139 0.031987 -0.128407 0.019812 0.059612 0.107738 35O 3pz -0.069155 0.068291 0.049313 0.361076 0.180213 -0.106835 35O 3px 0.287209 0.137799 -0.241891 1.161573 0.212907 -0.212904 35O 3py 0.083892 0.156209 -0.147535 0.698176 0.015230 -0.146890 35O 1dz2 0.004830 -0.000642 -0.002976 -0.005307 -0.001639 -0.000511 35O 1dxz -0.000574 -0.004504 0.000892 -0.003933 -0.000546 0.001211 35O 1dyz 0.003012 -0.003127 0.000098 -0.000840 0.003443 0.003586 35O 1dx2y2 -0.002439 -0.000900 0.002940 0.005713 -0.004669 -0.009821 35O 1dxy -0.001052 -0.003531 0.000978 0.003964 -0.002503 -0.001884 35O 2dz2 -0.042584 -0.099391 0.036545 -0.294486 -0.003310 -0.014154 35O 2dxz 0.046417 -0.088252 0.120901 0.043788 0.047100 0.022740 35O 2dyz 0.001997 -0.102981 0.035921 0.091243 0.016100 0.024625 35O 2dx2y2 -0.016839 -0.013616 0.064052 0.218372 -0.020139 -0.136076 35O 2dxy 0.066355 -0.018257 -0.003318 0.334344 -0.089581 -0.065153 35O 1f0 0.002761 -0.001315 0.003745 0.000236 -0.003021 -0.006124 35O 1f+1 -0.000594 -0.001919 0.001756 0.000188 -0.003571 -0.002869 35O 1f-1 0.003230 0.001397 0.000074 0.001500 0.001127 0.000537 35O 1f+2 -0.003273 0.001555 -0.000958 0.000662 -0.003212 -0.003074 35O 1f-2 0.002523 0.001372 -0.005743 -0.005250 0.004341 0.007292 35O 1f+3 -0.001881 -0.002756 -0.000760 -0.001604 -0.003005 -0.000144 35O 1f-3 -0.004442 -0.007046 0.012681 -0.002619 -0.005480 -0.007446 402 403 404 405 406 407 2.18523 2.20171 2.21316 2.21801 2.21992 2.23359 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s 0.000266 0.001614 0.000041 -0.000179 -0.001249 -0.000050 0Rh 2s -0.001770 -0.006907 -0.000242 0.002505 0.006963 -0.000099 0Rh 3s 0.000487 0.005295 0.000092 0.000478 -0.003111 -0.000352 0Rh 4s 0.008979 0.034738 0.001229 -0.012630 -0.035418 0.000557 0Rh 5s -0.016079 -0.043215 -0.002084 0.026145 0.058986 -0.003348 0Rh 6s 0.009694 -0.051324 0.000510 -0.022738 -0.022242 0.011430 0Rh 7s -0.085008 0.153203 -0.021758 0.033062 0.487446 -0.045030 0Rh 8s -0.157967 -0.754110 -0.018961 -0.501432 0.447289 0.112414 0Rh 1pz -0.004450 -0.000841 0.000930 -0.001582 -0.000509 0.000507 0Rh 1px -0.003709 -0.004836 0.000045 0.002318 0.013244 0.000374 0Rh 1py 0.002600 -0.001776 0.001224 0.003415 0.002037 0.003304 0Rh 2pz 0.015489 0.002338 -0.003353 0.005692 0.001900 -0.001852 0Rh 2px 0.012892 0.018220 -0.000062 -0.008140 -0.046542 -0.001175 0Rh 2py -0.009095 0.006517 -0.003930 -0.011438 -0.007003 -0.011808 0Rh 3pz -0.006072 0.011862 0.003987 -0.006421 -0.003787 0.002513 0Rh 3px -0.005068 -0.036970 -0.001962 0.004493 0.028392 -0.002301 0Rh 3py 0.005266 -0.009988 -0.005312 -0.004983 0.001181 0.011026 0Rh 4pz -0.081580 -0.066022 0.005646 -0.011921 0.003085 0.002035 0Rh 4px -0.066094 0.027944 0.008139 0.038980 0.199565 0.018249 0Rh 4py 0.037764 -0.002816 0.047993 0.098965 0.042359 0.035797 0Rh 5pz 0.148924 0.128460 -0.007681 0.018277 0.000728 0.003919 0Rh 5px 0.119682 -0.057871 -0.014589 -0.086654 -0.366602 -0.040814 0Rh 5py -0.062595 0.001284 -0.087750 -0.187141 -0.084267 -0.059896 0Rh 6pz 0.408965 -0.215317 -0.021798 0.330381 -0.353648 -0.438685 0Rh 6px 0.092762 0.787806 0.152098 0.674958 -0.159881 0.171937 0Rh 6py 0.012288 0.403886 -0.148912 -0.039545 0.552347 -0.760985 0Rh 1dz2 0.003284 0.002379 0.012852 -0.009775 0.003575 -0.006494 0Rh 1dxz -0.007339 -0.010873 0.006214 -0.010594 0.017586 0.008422 0Rh 1dyz 0.006191 -0.002601 0.004281 0.005590 0.004788 -0.014716 0Rh 1dx2y2 0.005624 0.012897 0.011467 -0.012870 -0.005800 -0.004573 0Rh 1dxy -0.008952 -0.003126 0.005749 -0.000618 -0.013270 0.016889 0Rh 2dz2 -0.000951 -0.000766 -0.002056 0.000823 0.000862 -0.001768 0Rh 2dxz 0.001383 0.000515 -0.000365 -0.000222 -0.000511 -0.000340 0Rh 2dyz -0.001376 0.000388 -0.001192 -0.001027 -0.000480 -0.005901 0Rh 2dx2y2 0.000826 -0.000574 -0.001241 0.003494 -0.001512 -0.000705 0Rh 2dxy -0.000588 0.000346 -0.002012 -0.000806 0.000185 -0.004091 0Rh 3dz2 -0.004442 -0.003047 -0.025012 0.022626 -0.013304 0.025482 0Rh 3dxz 0.013438 0.026444 -0.014965 0.029488 -0.044671 -0.021040 0Rh 3dyz -0.010193 0.005107 -0.005450 -0.010353 -0.010595 0.065993 0Rh 3dx2y2 -0.018384 -0.031606 -0.024926 0.018794 0.022159 0.015461 0Rh 3dxy 0.026220 0.006856 -0.006147 0.005033 0.034604 -0.026797 0Rh 4dz2 -0.014851 -0.009877 -0.033319 0.009704 0.011810 -0.028916 0Rh 4dxz 0.019578 0.011977 -0.006024 -0.006199 -0.008973 -0.005602 0Rh 4dyz -0.021500 0.007188 -0.030019 -0.014595 -0.008472 -0.090652 0Rh 4dx2y2 0.009228 -0.011318 -0.021113 0.052591 -0.022308 -0.011649 0Rh 4dxy -0.004684 0.004482 -0.034637 -0.008394 0.003498 -0.065069 0Rh 5dz2 0.060237 0.028071 0.200424 -0.042307 -0.018157 0.093648 0Rh 5dxz -0.096264 -0.125783 0.048707 0.020968 0.118279 0.053178 0Rh 5dyz 0.070646 -0.046239 0.284188 0.037497 0.063586 0.291998 0Rh 5dx2y2 -0.005765 0.109222 0.132965 -0.252521 0.044284 0.039767 0Rh 5dxy -0.044307 -0.021993 0.219857 0.002959 -0.066342 0.329864 0Rh 1f0 0.158733 -0.115685 0.042191 0.134222 0.077676 0.002859 0Rh 1f+1 0.017701 -0.038060 -0.086008 0.295821 0.007701 0.026797 0Rh 1f-1 0.171730 -0.057986 0.037488 -0.065569 -0.012364 -0.045643 0Rh 1f+2 0.118343 -0.161152 -0.026556 0.042744 0.117096 -0.055114 0Rh 1f-2 -0.099672 0.046799 -0.080531 -0.087767 -0.009506 -0.005187 0Rh 1f+3 0.187527 -0.066341 -0.005854 0.028111 0.019971 -0.054707 0Rh 1f-3 -0.291567 0.195370 0.164998 0.007022 -0.114248 0.101541 1Rh 1s 0.000200 -0.001590 -0.000098 -0.000085 -0.001303 0.000132 1Rh 2s -0.001553 0.006775 0.000554 -0.000790 0.007599 -0.001227 1Rh 3s 0.000230 -0.005232 -0.000240 -0.000989 -0.003043 0.000028 1Rh 4s 0.007891 -0.034072 -0.002811 0.003899 -0.038619 0.006258 1Rh 5s -0.015095 0.042233 0.004609 -0.010418 0.065291 -0.012694 1Rh 6s 0.012520 0.050857 -0.000837 0.012483 -0.026449 0.012210 1Rh 7s -0.099964 -0.142998 0.031922 0.087499 0.475659 -0.019060 1Rh 8s -0.118100 0.764285 0.027751 0.562046 0.300844 0.183664 1Rh 1pz 0.004155 -0.001014 0.000898 -0.001331 0.000689 -0.000290 1Rh 1px 0.003766 -0.005169 -0.000305 -0.000463 -0.013371 -0.000584 1Rh 1py -0.002542 -0.001642 0.001099 0.003082 -0.002568 -0.003192 1Rh 2pz -0.014455 0.002928 -0.003242 0.004798 -0.002541 0.001110 1Rh 2px -0.013144 0.019390 0.001165 0.001633 0.046949 0.002014 1Rh 2py 0.008911 0.006041 -0.003491 -0.010321 0.008756 0.011443 1Rh 3pz 0.005493 0.011907 0.003984 -0.005565 0.004302 -0.002497 1Rh 3px 0.006290 -0.037614 -0.002627 -0.001491 -0.027740 -0.000288 1Rh 3py -0.005588 -0.009587 -0.005576 -0.004649 0.000176 -0.011416 1Rh 4pz 0.076976 -0.070260 0.004846 -0.009462 -0.000844 0.002929 1Rh 4px 0.062926 0.022598 0.002556 -0.002737 -0.205461 -0.013321 1Rh 4py -0.035113 -0.001219 0.046094 0.090158 -0.059982 -0.031681 1Rh 5pz -0.140253 0.136144 -0.006230 0.012808 -0.004378 -0.012803 1Rh 5px -0.114383 -0.047823 -0.004363 -0.010473 0.380761 0.030948 1Rh 5py 0.057261 -0.001415 -0.084414 -0.169409 0.117652 0.052234 1Rh 6pz -0.466122 -0.208541 -0.006792 0.391732 0.280630 0.394858 1Rh 6px -0.114153 0.789336 0.153034 0.698349 -0.007582 -0.114133 1Rh 6py -0.001002 0.388238 -0.137973 -0.187333 -0.545969 0.771120 1Rh 1dz2 0.004084 -0.002650 -0.012783 0.010696 0.002017 -0.006528 1Rh 1dxz -0.008404 0.011601 -0.005640 0.013551 0.015178 0.008719 1Rh 1dyz 0.005844 0.002750 -0.004227 -0.004261 0.005676 -0.014835 1Rh 1dx2y2 0.005549 -0.012681 -0.011909 0.011228 -0.007917 -0.004171 1Rh 1dxy -0.008482 0.002824 -0.005391 -0.003033 -0.012797 0.016681 1Rh 2dz2 -0.000839 0.000794 0.002084 -0.000638 0.000937 -0.001888 1Rh 2dxz 0.001566 -0.000557 0.000371 0.000055 -0.000533 -0.000232 1Rh 2dyz -0.001349 -0.000417 0.001082 0.001079 -0.000701 -0.005858 1Rh 2dx2y2 0.000555 0.000514 0.001243 -0.003638 -0.000837 -0.000723 1Rh 2dxy -0.000638 -0.000314 0.001928 0.001014 -0.000000 -0.004053 1Rh 3dz2 -0.007062 0.003643 0.024711 -0.025890 -0.009443 0.026094 1Rh 3dxz 0.015434 -0.028184 0.013413 -0.036639 -0.038102 -0.022302 1Rh 3dyz -0.009391 -0.005373 0.005800 0.006578 -0.011973 0.066123 1Rh 3dx2y2 -0.016956 0.031292 0.026100 -0.013793 0.024816 0.014453 1Rh 3dxy 0.025213 -0.006195 0.005571 0.003773 0.034139 -0.026405 1Rh 4dz2 -0.013252 0.010286 0.033646 -0.007182 0.012426 -0.030438 1Rh 4dxz 0.022634 -0.012838 0.006012 0.003551 -0.009867 -0.004208 1Rh 4dyz -0.021091 -0.007716 0.028383 0.015213 -0.011788 -0.090059 1Rh 4dx2y2 0.004906 0.010491 0.021063 -0.054530 -0.012211 -0.011824 1Rh 4dxy -0.005742 -0.004009 0.033294 0.011879 0.001188 -0.064566 1Rh 5dz2 0.058129 -0.030728 -0.200847 0.040033 -0.020022 0.096832 1Rh 5dxz -0.112314 0.133000 -0.045359 0.003869 0.120110 0.047403 1Rh 5dyz 0.070017 0.049648 -0.278459 -0.032506 0.074458 0.290684 1Rh 5dx2y2 0.011017 -0.105263 -0.134616 0.248091 -0.003292 0.043873 1Rh 5dxy -0.036827 0.019721 -0.213661 -0.031546 -0.058815 0.328980 1Rh 1f0 -0.183271 -0.120533 0.041909 0.115064 -0.100134 -0.000026 1Rh 1f+1 -0.034965 -0.038701 -0.086244 0.287537 -0.061485 -0.024843 1Rh 1f-1 -0.170622 -0.055127 0.040611 -0.066376 0.025101 0.048909 1Rh 1f+2 -0.116536 -0.162148 -0.027399 0.015194 -0.117617 0.050956 1Rh 1f-2 0.108649 0.047309 -0.078779 -0.086543 0.027206 0.004477 1Rh 1f+3 -0.190316 -0.062120 -0.005868 0.019342 -0.023182 0.056174 1Rh 1f-3 0.304809 0.196764 0.158446 0.037826 0.103211 -0.115207 2C 1s 0.000586 -0.000793 -0.002934 -0.000917 0.000173 -0.001089 2C 2s -0.003220 -0.010017 0.003899 0.002780 0.011407 -0.018919 2C 3s 0.010760 0.139157 -0.027664 -0.042364 -0.142707 0.288813 2C 4s 0.048484 -0.451952 0.209629 0.208798 0.431196 -1.079639 2C 5s 0.009348 2.332761 -3.032830 -1.112873 -2.872208 4.737660 2C 1pz -0.153596 0.074097 0.199343 -0.026949 0.014975 -0.065762 2C 1px 0.103188 -0.002578 -0.127055 -0.061827 -0.069247 -0.007105 2C 1py 0.131497 -0.108852 0.002663 0.130068 0.067013 -0.009956 2C 2pz 0.234392 -0.368302 0.007215 0.246176 0.230362 -0.519921 2C 2px -0.297797 0.032060 0.439458 0.135713 0.273860 -0.267532 2C 2py -0.327539 0.026106 0.268661 -0.084981 0.057762 -0.434282 2C 3pz -0.073946 0.605148 -0.616119 -0.283056 -0.667521 0.935489 2C 3px -0.009159 0.031614 -0.259513 -0.147275 -0.087655 0.369269 2C 3py 0.185328 0.177591 -0.497616 -0.054741 -0.382112 0.660295 2C 1dz2 0.010161 0.006420 -0.019677 -0.013048 -0.004658 0.013064 2C 1dxz 0.000536 -0.005338 0.020513 0.011887 0.033349 -0.010739 2C 1dyz 0.004534 0.005046 -0.023042 -0.005723 -0.016957 0.002397 2C 1dx2y2 0.000495 0.036799 -0.001000 0.000749 -0.014485 -0.004595 2C 1dxy 0.007808 -0.017005 0.004075 0.002238 0.013017 -0.007413 2C 2dz2 0.196448 -0.167058 -0.089029 0.144723 0.058291 -0.079351 2C 2dxz -0.085314 -0.073014 0.117307 0.116460 0.026724 -0.029733 2C 2dyz 0.019303 -0.012078 0.021051 -0.003070 0.033326 -0.205317 2C 2dx2y2 0.184781 -0.141494 -0.126969 0.079206 0.047872 -0.005316 2C 2dxy -0.217689 0.190842 0.171572 -0.121329 -0.043668 -0.077705 2C 1f0 0.022232 0.047120 -0.050892 -0.008667 -0.030340 0.028844 2C 1f+1 -0.015038 0.012916 0.020450 -0.014717 0.006476 -0.039968 2C 1f-1 -0.013454 -0.030232 0.038856 0.010337 0.024901 -0.027064 2C 1f+2 -0.024819 -0.058336 0.079060 0.028423 0.066244 -0.061201 2C 1f-2 0.046456 0.039267 -0.081682 -0.018723 -0.055219 0.101373 2C 1f+3 -0.026418 -0.077070 0.125347 0.070868 0.112296 -0.151871 2C 1f-3 -0.014681 0.009333 0.014873 -0.002210 0.007407 -0.052521 3C 1s 0.000245 -0.000952 0.001640 -0.000714 -0.000638 -0.000211 3C 2s 0.001423 -0.004585 -0.004470 -0.006586 0.012838 0.016454 3C 3s -0.024120 0.077177 0.029729 0.071324 -0.181815 -0.280996 3C 4s 0.068292 -0.299891 -0.109767 -0.131270 0.632122 1.145982 3C 5s 0.956400 0.607546 2.337958 1.914285 -4.420628 -5.020115 3C 1pz 0.046321 0.007620 -0.091510 -0.100200 0.135006 0.041728 3C 1px -0.001366 -0.068879 0.127803 -0.092738 -0.017988 0.017457 3C 1py 0.036593 -0.039388 0.110213 -0.100192 -0.012637 -0.063170 3C 2pz -0.076319 -0.128456 0.121854 0.159592 -0.037027 0.284771 3C 2px 0.061892 0.179048 -0.429491 0.185031 0.153692 0.357049 3C 2py -0.135145 0.175333 0.032194 0.214381 -0.427642 -0.658781 3C 3pz 0.188126 0.049580 0.285648 0.215034 -0.543597 -0.522468 3C 3px 0.071226 -0.091655 0.270662 0.006796 -0.274961 -0.517789 3C 3py -0.210920 -0.171421 -0.483236 -0.467305 0.989144 1.059320 3C 1dz2 0.008356 0.001253 0.004208 0.000122 -0.002990 0.000781 3C 1dxz -0.024552 -0.030354 -0.015957 -0.014190 0.031177 0.001238 3C 1dyz -0.007215 0.002528 -0.028582 -0.010582 0.030962 0.016088 3C 1dx2y2 0.008725 0.005460 -0.011940 0.005840 -0.014108 0.006873 3C 1dxy 0.008483 -0.007338 0.011454 0.002061 -0.008017 -0.012189 3C 2dz2 -0.052031 -0.027505 0.064446 -0.014001 -0.010849 -0.075928 3C 2dxz 0.020864 0.114319 -0.133810 0.217849 -0.034425 0.013873 3C 2dyz 0.056063 0.043548 -0.059395 -0.058321 -0.013422 -0.195873 3C 2dx2y2 -0.076766 0.098377 -0.058917 0.179240 -0.119848 -0.089607 3C 2dxy -0.083666 -0.022442 0.095907 -0.009498 -0.019262 -0.118246 3C 1f0 0.004031 0.017660 0.062376 0.048406 -0.119695 -0.120600 3C 1f+1 0.024704 0.024434 0.034163 0.017279 -0.060572 -0.020742 3C 1f-1 0.003988 0.023827 0.047261 0.009762 -0.076937 -0.091587 3C 1f+2 0.010625 -0.001178 -0.076063 -0.032752 0.098515 0.136500 3C 1f-2 -0.024102 -0.023816 -0.049645 -0.025126 0.084798 0.061686 3C 1f+3 -0.022677 -0.016037 -0.038655 0.008310 0.043436 0.049074 3C 1f-3 -0.023023 -0.023321 0.008348 -0.006066 -0.007043 -0.059469 4C 1s -0.001597 -0.001520 -0.005665 0.002298 0.001606 0.021239 4C 2s -0.006687 -0.004647 -0.015338 0.008151 0.004528 0.069226 4C 3s 0.023904 -0.013680 0.069603 -0.088162 0.145681 -0.634626 4C 4s 0.263299 0.410583 -0.235007 -0.027119 -1.435981 1.094836 4C 5s -0.139841 -1.267203 1.943821 0.900253 1.253891 -3.314809 4C 1pz 0.117729 0.030704 -0.271622 -0.149828 -0.168531 0.176309 4C 1px -0.039422 0.254375 0.093507 0.107388 -0.050456 -0.110109 4C 1py -0.003708 0.154566 -0.088345 -0.087050 -0.140859 0.051781 4C 2pz -0.241846 -0.217947 0.671883 0.418492 0.211857 -0.829598 4C 2px 0.404976 -0.402292 -0.165220 -0.293197 0.175626 -0.189162 4C 2py 0.154813 -0.355354 0.267839 0.242819 0.212441 -0.537089 4C 3pz -0.253636 0.767321 -1.359480 -0.318426 -1.164670 2.129730 4C 3px 0.325368 0.303853 -0.362488 0.199342 -0.194128 -0.182674 4C 3py -0.219537 0.767147 -0.891867 -0.326385 -0.850810 1.205998 4C 1dz2 0.005011 0.015166 -0.001679 0.006686 -0.010134 -0.008934 4C 1dxz 0.023643 -0.026027 -0.037020 0.005818 -0.001872 0.031720 4C 1dyz 0.016458 0.009705 -0.040546 -0.006915 -0.011348 0.012667 4C 1dx2y2 -0.006045 -0.021856 0.011917 0.035099 0.013878 0.001131 4C 1dxy -0.023267 -0.022943 0.002732 -0.025843 -0.000512 0.028450 4C 2dz2 0.331739 -0.209056 -0.374322 0.230970 0.107578 0.247933 4C 2dxz -0.237483 0.032805 0.122707 -0.181697 0.164371 0.098625 4C 2dyz -0.241229 0.229998 -0.003959 -0.205898 -0.121133 0.243259 4C 2dx2y2 -0.026797 0.012004 0.229653 0.082082 -0.115935 -0.160202 4C 2dxy 0.141113 -0.186307 0.014723 0.119086 0.055967 0.016584 4C 1f0 0.004417 0.009521 -0.005685 0.002371 0.000101 0.016199 4C 1f+1 0.003063 0.003189 0.007936 0.017035 0.030580 -0.013715 4C 1f-1 0.016970 0.016237 -0.062828 -0.032994 -0.028799 0.046841 4C 1f+2 0.019760 -0.011962 0.006224 0.012777 0.012663 -0.000671 4C 1f-2 0.001001 0.027437 -0.013366 0.001115 -0.013034 -0.013277 4C 1f+3 -0.011938 0.006206 -0.006526 -0.002671 0.005924 0.002024 4C 1f-3 -0.020916 -0.031542 -0.009902 0.004728 0.010536 0.011667 5C 1s 0.000538 0.000942 -0.000408 -0.008427 0.001130 -0.020769 5C 2s 0.002955 0.004307 -0.003570 -0.028055 0.003125 -0.068234 5C 3s -0.028737 -0.014268 0.026895 0.172599 0.224904 0.695140 5C 4s 0.106917 -0.071334 0.322811 0.259969 -1.982162 -1.617300 5C 5s -0.210001 -0.602311 -1.241020 -0.492228 1.769734 3.172915 5C 1pz -0.068704 -0.080899 0.161457 0.060309 -0.153372 -0.127078 5C 1px 0.187469 0.281290 -0.055825 0.203687 -0.177943 0.031863 5C 1py 0.021904 0.008950 -0.183611 -0.060083 0.229742 0.179341 5C 2pz 0.249623 0.011909 -0.278258 -0.085353 0.351301 0.469291 5C 2px -0.571322 -0.401597 0.080871 -0.338461 -0.086837 0.375232 5C 2py -0.162940 0.172162 0.356482 0.063925 -0.428087 -0.821164 5C 3pz 0.339129 -0.023932 0.631268 0.683648 -1.243677 -1.503420 5C 3px 0.427024 0.300705 0.498887 0.435170 -1.080486 -0.422159 5C 3py -0.787494 -0.047153 -1.005383 -0.841358 1.965843 2.266482 5C 1dz2 0.005638 0.023182 -0.003783 0.008918 -0.020211 0.012613 5C 1dxz -0.045683 -0.032531 -0.000542 0.030218 0.000846 -0.013799 5C 1dyz -0.013180 -0.020743 0.000748 -0.007658 0.022033 0.006187 5C 1dx2y2 -0.014425 -0.002566 -0.028691 -0.027141 0.030814 -0.007702 5C 1dxy 0.031399 0.034973 -0.044998 0.020851 -0.012300 0.030342 5C 2dz2 -0.092704 0.092230 0.013030 0.247151 -0.024988 0.014674 5C 2dxz -0.085464 -0.016705 0.073924 -0.180286 0.076490 -0.147886 5C 2dyz -0.034302 -0.036964 -0.119934 -0.017370 0.178903 0.304782 5C 2dx2y2 -0.106877 -0.034922 -0.125474 0.309883 -0.221687 0.252548 5C 2dxy 0.168682 -0.145548 0.267474 -0.154396 0.094569 0.155406 5C 1f0 0.015152 0.004774 -0.040886 -0.016165 0.024470 0.030001 5C 1f+1 -0.017104 -0.007765 -0.002996 -0.024288 0.022007 -0.005987 5C 1f-1 0.001322 0.019336 -0.009940 -0.008027 0.003996 0.010906 5C 1f+2 -0.011100 -0.009582 -0.029871 -0.008565 0.044567 0.040940 5C 1f-2 -0.029517 -0.034512 0.003777 -0.016908 0.031599 -0.006934 5C 1f+3 0.002112 0.002556 0.010649 -0.006364 0.010772 -0.004961 5C 1f-3 -0.015394 0.002213 -0.003119 0.013240 -0.029818 0.006401 6C 1s 0.000808 -0.000877 0.000380 0.009067 -0.000418 -0.020408 6C 2s 0.003842 -0.004130 0.003507 0.030001 -0.002013 -0.067396 6C 3s -0.047378 0.020686 -0.018960 -0.148832 0.249861 0.688236 6C 4s 0.181164 0.011560 -0.380010 -0.568377 -1.878889 -1.568251 6C 5s -0.229011 0.641034 1.281460 0.771109 1.602293 3.034584 6C 1pz 0.068244 -0.077362 0.165266 0.084877 0.138948 0.112113 6C 1px -0.179457 0.289134 -0.055566 0.236066 0.127205 -0.027531 6C 1py -0.017419 0.002592 -0.191493 -0.096702 -0.212526 -0.159356 6C 2pz -0.253781 0.004410 -0.281288 -0.144390 -0.324437 -0.438143 6C 2px 0.555102 -0.408955 0.079458 -0.292042 0.156664 -0.366967 6C 2py 0.156577 0.182480 0.368887 0.123350 0.401095 0.776582 6C 3pz -0.371033 0.015156 0.653451 0.873290 1.070099 1.431369 6C 3px -0.431120 0.336334 0.508768 0.640406 0.946595 0.390678 6C 3py 0.837152 -0.110642 -1.044230 -1.149407 -1.739027 -2.164437 6C 1dz2 0.006545 -0.024162 0.002832 -0.012885 -0.017762 0.014066 6C 1dxz -0.044827 0.033315 -0.000154 -0.028773 0.005442 -0.010818 6C 1dyz -0.013847 0.021213 -0.000067 0.011352 0.019240 0.003545 6C 1dx2y2 -0.014647 0.003562 0.029437 0.032195 0.024323 -0.009694 6C 1dxy 0.030273 -0.035625 0.045798 -0.025325 -0.007857 0.027500 6C 2dz2 -0.104623 -0.091798 -0.009158 -0.253321 0.023174 0.024448 6C 2dxz -0.083878 0.016640 -0.068051 0.197489 0.042262 -0.137733 6C 2dyz -0.037706 0.047854 0.123570 0.038174 0.170025 0.284718 6C 2dx2y2 -0.099167 0.037107 0.124563 -0.359667 -0.155827 0.228669 6C 2dxy 0.163577 0.143387 -0.273192 0.169697 0.054549 0.182381 6C 1f0 -0.015184 0.004068 -0.041730 -0.019366 -0.020672 -0.026441 6C 1f+1 0.018081 -0.008881 -0.003649 -0.027893 -0.016701 0.005585 6C 1f-1 -0.002409 0.019289 -0.008929 -0.008563 -0.002440 -0.010729 6C 1f+2 0.012066 -0.011151 -0.031276 -0.016169 -0.041159 -0.038898 6C 1f-2 0.027313 -0.035929 0.004715 -0.024196 -0.026704 0.007881 6C 1f+3 -0.001385 0.002278 0.010312 -0.008304 -0.009180 0.003256 6C 1f-3 0.016232 0.002877 -0.002733 0.018499 0.026620 -0.008700 7C 1s -0.001741 0.001513 0.005595 -0.001792 0.001618 0.020712 7C 2s -0.007115 0.004640 0.015073 -0.006609 0.004824 0.067189 7C 3s 0.012154 0.009067 -0.063831 0.118370 0.127376 -0.613442 7C 4s 0.355635 -0.390867 0.202041 -0.293820 -1.383543 1.087315 7C 5s -0.205208 1.288970 -1.899144 -0.612346 1.438074 -3.400574 7C 1pz -0.126323 0.034200 -0.268267 -0.109835 0.200347 -0.196840 7C 1px 0.042245 0.250001 0.095145 0.113204 0.019480 0.125893 7C 1py -0.001793 0.155195 -0.084247 -0.056301 0.152862 -0.063698 7C 2pz 0.238211 -0.223588 0.664313 0.366889 -0.307817 0.861634 7C 2px -0.400294 -0.396159 -0.158046 -0.331705 -0.108859 0.175806 7C 2py -0.148260 -0.357525 0.263322 0.192319 -0.259926 0.563639 7C 3pz 0.143977 0.764620 -1.318250 -0.063027 1.204221 -2.222554 7C 3px -0.314517 0.300582 -0.340474 0.223469 0.138833 0.201594 7C 3py 0.166671 0.767580 -0.858535 -0.143325 0.892334 -1.270041 7C 1dz2 0.006123 -0.015044 0.000693 -0.008061 -0.008458 -0.006862 7C 1dxz 0.025352 0.025675 0.037509 -0.007582 -0.002158 0.036486 7C 1dyz 0.016652 -0.009945 0.040468 0.005139 -0.013502 0.014054 7C 1dx2y2 -0.006751 0.021879 -0.012660 -0.030567 0.020046 -0.002067 7C 1dxy -0.022647 0.021998 -0.002209 0.025220 -0.006357 0.030361 7C 2dz2 0.328604 0.201371 0.378955 -0.201040 0.125053 0.247191 7C 2dxz -0.227132 -0.024172 -0.112680 0.212634 0.130927 0.074827 7C 2dyz -0.242684 -0.226245 0.002008 0.177529 -0.155251 0.240026 7C 2dx2y2 -0.001516 -0.005191 -0.226416 -0.110185 -0.082429 -0.168864 7C 2dxy 0.160787 0.192686 -0.017872 -0.109362 0.082669 0.000761 7C 1f0 -0.002343 0.009942 -0.006414 0.002201 -0.000388 -0.014738 7C 1f+1 0.000597 0.003533 0.007538 0.009087 -0.032563 0.015414 7C 1f-1 -0.018947 0.017194 -0.062315 -0.025895 0.035825 -0.051241 7C 1f+2 -0.018237 -0.012609 0.004827 0.011201 -0.014803 0.000947 7C 1f-2 -0.000598 0.027561 -0.012549 0.003077 0.012224 0.014330 7C 1f+3 0.012650 0.006649 -0.006556 -0.003437 -0.004767 -0.004035 7C 1f-3 0.020737 -0.031165 -0.009889 0.002174 -0.010123 -0.011576 8C 1s 0.000319 0.000874 -0.001657 0.000677 -0.000713 0.000103 8C 2s 0.001359 0.004707 0.004910 0.008635 0.011301 0.016309 8C 3s -0.021257 -0.080923 -0.034925 -0.097953 -0.163486 -0.279242 8C 4s 0.055193 0.320676 0.123198 0.217329 0.586752 1.126898 8C 5s 1.039121 -0.729964 -2.429924 -2.624497 -3.901115 -4.780643 8C 1pz -0.047404 0.003327 -0.091734 -0.125037 -0.111776 -0.029368 8C 1px -0.002593 -0.065462 0.130004 -0.086315 0.037570 -0.022804 8C 1py -0.039311 -0.038001 0.113794 -0.100225 0.031347 0.053273 8C 2pz 0.086894 -0.128081 0.115682 0.178072 0.007392 -0.291764 8C 2px -0.048234 0.167999 -0.442320 0.166421 -0.189624 -0.332568 8C 2py 0.131179 0.187872 0.037159 0.270791 0.371943 0.638358 8C 3pz -0.199363 0.061652 0.299070 0.304486 0.484377 0.499845 8C 3px -0.083553 -0.080078 0.279135 0.044347 0.267956 0.490815 8C 3py 0.227506 -0.198805 -0.502150 -0.631363 -0.864154 -1.007848 8C 1dz2 0.007657 -0.001098 -0.003440 -0.000976 -0.002239 -0.001531 8C 1dxz -0.026517 0.031832 0.016600 0.020484 0.026145 0.005090 8C 1dyz -0.007931 -0.001432 0.028956 0.015567 0.027333 0.015200 8C 1dx2y2 0.007292 -0.005934 0.012546 -0.009361 -0.013024 0.007377 8C 1dxy 0.009939 0.006606 -0.011367 -0.004004 -0.007167 -0.014921 8C 2dz2 -0.055089 0.025368 -0.063023 0.013233 -0.014087 -0.066624 8C 2dxz 0.022540 -0.113433 0.136207 -0.225763 0.013388 -0.012015 8C 2dyz 0.061247 -0.044349 0.059083 0.064090 -0.019868 -0.207163 8C 2dx2y2 -0.074267 -0.100215 0.058486 -0.196125 -0.080323 -0.088850 8C 2dxy -0.085641 0.020630 -0.099732 0.011224 -0.023412 -0.100261 8C 1f0 -0.005963 0.021589 0.065528 0.067901 0.107498 0.113348 8C 1f+1 -0.025715 0.026271 0.032770 0.027159 0.051627 0.016386 8C 1f-1 -0.005897 0.025751 0.050122 0.020877 0.071984 0.084778 8C 1f+2 -0.008475 -0.003023 -0.079173 -0.046311 -0.088573 -0.127744 8C 1f-2 0.025157 -0.026545 -0.053071 -0.039931 -0.078572 -0.059562 8C 1f+3 0.023917 -0.017403 -0.040798 0.001136 -0.043630 -0.049966 8C 1f-3 0.023988 -0.024424 0.008523 -0.007512 0.007765 0.053514 9C 1s 0.000613 0.000752 0.002954 0.001013 -0.000154 -0.000957 9C 2s -0.003695 0.009999 -0.003565 -0.000084 0.011466 -0.019326 9C 3s 0.016409 -0.137083 0.024137 0.007853 -0.144320 0.289212 9C 4s 0.034915 0.444030 -0.200185 -0.105293 0.458493 -1.072796 9C 5s 0.194360 -2.340722 2.936311 0.476398 -3.032096 4.930261 9C 1pz 0.155902 0.070155 0.199499 -0.027329 -0.018464 0.072335 9C 1px -0.098632 0.004062 -0.121898 -0.050342 0.084749 -0.002644 9C 1py -0.132811 -0.107636 -0.000938 0.114246 -0.087014 0.017189 9C 2pz -0.228002 -0.359654 -0.002079 0.188304 -0.264947 0.517856 9C 2px 0.292127 0.016803 0.427489 0.079916 -0.308642 0.297702 9C 2py 0.335665 0.022042 0.277945 -0.096803 -0.057127 0.431107 9C 3pz 0.035633 0.606768 -0.591634 -0.135443 0.705180 -0.971713 9C 3px 0.005869 0.040803 -0.253999 -0.128654 0.125655 -0.383531 9C 3py -0.217251 0.183269 -0.486886 0.025667 0.391896 -0.695856 9C 1dz2 0.009472 -0.006802 0.020761 0.011862 -0.007694 0.013398 9C 1dxz -0.004292 0.005658 -0.019239 -0.004801 0.034316 -0.010219 9C 1dyz 0.006159 -0.005022 0.022362 0.002599 -0.017874 0.004142 9C 1dx2y2 0.000025 -0.036857 0.000934 -0.003489 -0.013033 -0.006320 9C 1dxy 0.007146 0.016119 -0.004403 0.000247 0.012302 -0.006374 9C 2dz2 0.198149 0.161923 0.090739 -0.127564 0.078365 -0.075849 9C 2dxz -0.060953 0.080286 -0.115257 -0.112531 0.056123 -0.047133 9C 2dyz 0.011993 0.010442 -0.023710 0.010246 0.032935 -0.199346 9C 2dx2y2 0.187764 0.142412 0.128497 -0.068507 0.053908 0.001115 9C 2dxy -0.211463 -0.182551 -0.166104 0.108689 -0.052969 -0.087885 9C 1f0 -0.023530 0.047370 -0.050974 -0.002719 0.031901 -0.029598 9C 1f+1 0.015087 0.014421 0.019098 -0.016416 -0.002958 0.039660 9C 1f-1 0.015148 -0.030604 0.038827 0.005639 -0.027701 0.028986 9C 1f+2 0.031514 -0.060484 0.079728 0.015508 -0.073789 0.069825 9C 1f-2 -0.046981 0.038824 -0.078063 -0.006458 0.057717 -0.104082 9C 1f+3 0.031701 -0.078352 0.120392 0.045922 -0.124429 0.156527 9C 1f-3 0.015502 0.006241 0.020302 -0.003067 -0.012323 0.060717 10H 1s 0.081137 0.220398 -0.243371 -0.103066 -0.230513 0.152233 10H 2s -0.187072 -0.444677 0.497313 0.211052 0.366583 -0.327882 10H 3s 0.005823 0.053971 0.155494 0.063801 0.020763 -0.378062 10H 1pz -0.015688 0.050812 -0.000574 -0.047942 -0.047528 0.010411 10H 1px 0.100724 0.047758 -0.146092 -0.062184 -0.058548 0.016025 10H 1py 0.157262 -0.096882 -0.110154 0.094592 0.023419 0.036756 11H 1s 0.081937 0.061869 -0.136601 -0.000591 -0.072369 0.231275 11H 2s -0.209667 -0.097873 0.452102 0.039278 0.326421 -0.607572 11H 3s -0.055069 -0.108049 0.104510 0.022736 0.177165 -0.172589 11H 1pz -0.083441 0.024600 0.132305 0.035689 0.056091 -0.052727 11H 1px 0.082825 -0.007845 -0.049476 -0.015989 -0.011896 -0.081531 11H 1py 0.158277 -0.103375 -0.105996 0.114822 0.007375 0.035907 12H 1s 0.019658 0.028100 -0.118723 -0.100049 -0.113407 0.222887 12H 2s -0.079785 -0.247512 0.367231 0.315759 0.401773 -0.601709 12H 3s 0.166193 -0.334057 0.059932 0.052258 0.201691 -0.201039 12H 1pz -0.180015 0.128104 0.100919 -0.100241 -0.044039 -0.009519 12H 1px 0.060777 0.018527 -0.062221 -0.058754 -0.054839 -0.083994 12H 1py -0.027637 -0.066657 0.089986 0.091938 0.092931 -0.057847 13H 1s 0.102884 0.122938 0.195682 0.104078 -0.353821 -0.197061 13H 2s -0.122458 -0.236156 -0.350513 -0.192691 0.660029 0.423642 13H 3s 0.051446 0.109023 -0.097063 0.021485 0.060902 0.346023 13H 1pz 0.031199 -0.039800 0.019961 -0.114046 0.096910 0.002708 13H 1px 0.008610 -0.034777 0.146124 -0.069102 -0.067142 -0.028613 13H 1py 0.032612 0.009697 -0.049627 -0.085939 0.053448 0.013351 14H 1s -0.074784 -0.051531 0.063178 0.071598 -0.125006 -0.245724 14H 2s 0.123295 0.048278 -0.253563 -0.247808 0.404641 0.636708 14H 3s -0.083641 -0.220761 -0.090245 -0.209953 0.315066 0.208104 14H 1pz 0.044002 0.026626 -0.120186 -0.052219 0.120369 0.017043 14H 1px 0.003099 -0.023105 0.031736 -0.033407 -0.025170 0.093682 14H 1py 0.036743 -0.035665 0.053499 -0.158554 0.089407 0.005524 15H 1s -0.016071 0.012417 0.096241 -0.017142 -0.089084 -0.217651 15H 2s 0.020430 0.030528 -0.345978 -0.021118 0.395754 0.621130 15H 3s -0.083048 -0.030975 -0.117458 -0.181051 0.283954 0.176458 15H 1pz 0.057397 -0.018242 0.007806 -0.083810 0.029970 -0.050508 15H 1px 0.031477 -0.046061 0.096860 -0.092726 -0.030386 0.045824 15H 1py -0.027681 -0.034136 0.106235 -0.026766 -0.058750 -0.078837 16H 1s -0.024412 -0.060254 -0.035217 0.106667 0.050765 0.049588 16H 2s 0.083022 0.214110 0.118375 -0.394022 -0.150562 -0.186124 16H 3s 0.029465 -0.020578 -0.071226 0.165904 -0.029576 0.037992 16H 1pz 0.053229 0.022005 0.044706 -0.165156 -0.011744 -0.149477 16H 1px -0.052335 -0.098018 0.051050 -0.011181 0.135410 -0.007672 16H 1py 0.001038 -0.017674 0.036597 -0.060053 0.035613 -0.043460 17H 1s 0.035395 -0.089891 0.012093 0.100297 0.081626 -0.049140 17H 2s -0.087274 0.308158 -0.055426 -0.312964 -0.269293 0.158411 17H 3s 0.019752 -0.123920 0.040329 0.088898 0.127788 -0.109317 17H 1pz -0.005289 -0.021972 0.025001 0.011078 0.050334 -0.031702 17H 1px 0.080857 -0.039144 0.027064 0.138447 0.038690 -0.042955 17H 1py -0.005171 0.069431 -0.055131 0.011124 -0.073354 0.079016 18H 1s 0.031494 0.092876 -0.005872 -0.085596 0.103521 -0.055743 18H 2s -0.070175 -0.319709 0.032685 0.266812 -0.338631 0.172876 18H 3s 0.006319 0.133596 -0.030484 -0.068646 0.150015 -0.117114 18H 1pz 0.016816 -0.030556 0.018897 0.009762 -0.055529 0.033676 18H 1px -0.086876 -0.037506 0.020909 0.130428 -0.071607 0.051257 18H 1py -0.011174 0.078053 -0.048667 0.020490 0.072252 -0.072406 19H 1s -0.027585 0.057076 0.034454 -0.087694 0.071416 0.037481 19H 2s 0.094447 -0.201578 -0.114702 0.333297 -0.224030 -0.147756 19H 3s 0.024214 0.009424 0.066087 -0.152056 0.005237 0.023778 19H 1pz -0.055532 0.014168 0.040793 -0.148753 0.042989 0.135039 19H 1px 0.056586 -0.108674 0.048113 -0.030871 -0.132638 0.012906 19H 1py -0.005540 -0.027327 0.034994 -0.056604 -0.024167 0.040538 20H 1s -0.012494 -0.014025 -0.103122 0.008377 -0.090236 -0.207542 20H 2s 0.011655 -0.022233 0.362815 0.072322 0.380192 0.588450 20H 3s -0.087395 0.037261 0.121598 0.230321 0.239692 0.168340 20H 1pz -0.060246 -0.019546 0.010007 -0.091793 -0.013132 0.053634 20H 1px -0.035000 -0.042760 0.098228 -0.082720 0.048898 -0.052671 20H 1py 0.028831 -0.032490 0.109036 -0.019048 0.062852 0.067543 21H 1s -0.075222 0.050500 -0.067195 -0.085687 -0.110058 -0.225968 21H 2s 0.110591 -0.040922 0.269073 0.299264 0.346269 0.602304 21H 3s -0.085473 0.228960 0.094092 0.267146 0.259317 0.207118 21H 1pz -0.041480 0.022926 -0.123451 -0.074808 -0.108131 -0.006201 21H 1px -0.001938 -0.021235 0.031480 -0.022541 0.033602 -0.097927 21H 1py -0.037727 -0.036753 0.055147 -0.176011 -0.055715 -0.007493 22H 1s 0.110276 -0.134828 -0.202551 -0.167088 -0.319388 -0.188151 22H 2s -0.130742 0.256062 0.364992 0.306527 0.599541 0.381097 22H 3s 0.048074 -0.105590 0.099385 -0.020403 0.066697 0.325047 22H 1pz -0.032446 -0.041018 0.019816 -0.131585 -0.072250 0.004101 22H 1px -0.010392 -0.030343 0.149076 -0.054643 0.080460 0.014237 22H 1py -0.032366 0.007894 -0.050131 -0.095250 -0.035807 -0.011234 23H 1s 0.027719 -0.030356 0.114610 0.072063 -0.133553 0.236666 23H 2s -0.100865 0.253212 -0.361495 -0.220899 0.459215 -0.633240 23H 3s 0.158216 0.327840 -0.055699 -0.007074 0.198175 -0.201057 23H 1pz 0.178419 0.125413 0.102667 -0.087913 0.055168 0.009796 23H 1px -0.055565 0.023325 -0.057875 -0.051016 0.068298 0.074363 23H 1py 0.025967 -0.068411 0.088280 0.071320 -0.108868 0.067595 24H 1s 0.081717 -0.063198 0.137348 -0.016363 -0.075052 0.238313 24H 2s -0.232426 0.100732 -0.444862 0.034011 0.336914 -0.636470 24H 3s -0.073557 0.105159 -0.097188 0.016920 0.171649 -0.184180 24H 1pz 0.084202 0.021549 0.129726 0.024150 -0.067163 0.062020 24H 1px -0.075979 -0.003202 -0.045780 -0.017202 0.017443 0.079266 24H 1py -0.166498 -0.101692 -0.106640 0.110974 -0.024202 -0.033774 25H 1s 0.095102 -0.222367 0.234867 0.057281 -0.246521 0.159329 25H 2s -0.200394 0.450464 -0.481485 -0.139350 0.408186 -0.352535 25H 3s 0.006018 -0.051015 -0.154274 -0.054656 0.039794 -0.391119 25H 1pz 0.017057 0.051195 0.001262 -0.036210 0.052603 -0.014685 25H 1px -0.096116 0.052942 -0.140987 -0.052801 0.074943 -0.027489 25H 1py -0.159050 -0.092454 -0.111202 0.087643 -0.033856 -0.037563 26O 1s 0.000945 -0.002081 -0.001288 -0.000715 0.001680 -0.001291 26O 2s 0.002083 -0.004297 -0.004611 -0.001919 0.005112 -0.003915 26O 3s 0.003680 -0.016635 0.040542 0.001294 -0.022988 0.012637 26O 4s -0.010495 0.255025 -0.148009 0.050484 -0.069934 0.058708 26O 5s -0.189255 -0.326721 -0.109868 0.007510 0.578411 0.089512 26O 1pz 0.069784 0.022620 -0.047700 0.010129 -0.064503 0.001767 26O 1px 0.011659 0.056914 0.010134 0.024880 -0.020816 -0.054551 26O 1py -0.019929 0.109649 0.010133 -0.006186 -0.087702 -0.013436 26O 2pz -0.050351 -0.061954 0.037185 0.007205 0.052724 0.032033 26O 2px 0.006456 -0.163045 0.066495 -0.037512 0.041170 0.027550 26O 2py -0.006760 -0.136494 0.061321 -0.039163 0.076313 0.022690 26O 3pz 0.376451 0.064703 -0.166040 0.026188 -0.111737 -0.597677 26O 3px 0.204160 0.209746 0.014881 -0.060332 -0.395496 -0.397626 26O 3py 0.215744 0.123329 -0.112460 0.075671 -0.267584 -0.498734 26O 1dz2 -0.000475 0.009646 0.002102 -0.005163 -0.005642 -0.003740 26O 1dxz -0.003636 -0.000355 0.005426 -0.003969 -0.001140 0.003798 26O 1dyz 0.006200 -0.002415 -0.005110 0.002041 -0.002975 -0.000156 26O 1dx2y2 -0.005103 -0.002387 0.003218 -0.004595 0.001692 0.001339 26O 1dxy 0.000004 -0.006048 0.001905 -0.001806 0.000476 0.004001 26O 2dz2 -0.076375 0.235849 0.109811 -0.144039 -0.114553 -0.233014 26O 2dxz -0.235677 0.003767 0.100270 -0.085904 0.078236 0.102985 26O 2dyz 0.055520 -0.101069 -0.102333 0.056094 0.041463 -0.084473 26O 2dx2y2 -0.133280 -0.056689 0.070130 -0.098989 0.041867 0.124665 26O 2dxy -0.064573 -0.184709 -0.036859 -0.031893 0.101080 0.173016 26O 1f0 -0.001757 0.000681 0.002885 0.003599 0.001382 -0.004931 26O 1f+1 -0.005732 0.007603 0.000014 -0.001136 -0.002930 -0.005754 26O 1f-1 -0.003027 0.000430 -0.000100 0.000692 0.003618 0.000218 26O 1f+2 0.004346 0.001140 -0.006267 0.002282 -0.004782 0.004070 26O 1f-2 0.005623 -0.010363 -0.005168 0.002757 0.002978 0.004349 26O 1f+3 -0.001594 0.003942 -0.002841 -0.004868 -0.003862 0.003500 26O 1f-3 0.000525 0.008796 0.000216 0.005013 -0.001356 -0.005087 27O 1s -0.001099 -0.002949 0.001472 -0.001056 0.001495 0.001811 27O 2s -0.001991 -0.006806 0.004559 -0.001992 0.003469 0.005076 27O 3s -0.020084 -0.009663 -0.026305 -0.008666 -0.004198 -0.010304 27O 4s 0.196989 0.278060 0.054466 0.127450 -0.173019 -0.141645 27O 5s -0.085155 -0.263589 0.037045 -0.482104 1.478359 0.301178 27O 1pz 0.021236 0.035560 0.040102 0.046424 -0.073489 0.003701 27O 1px 0.042524 0.087262 -0.000682 0.073615 -0.090437 0.031704 27O 1py -0.035074 -0.013723 -0.044205 -0.000871 0.061980 0.005758 27O 2pz -0.038746 -0.046559 -0.051750 -0.004390 0.064211 -0.029409 27O 2px -0.201608 -0.199494 -0.052970 -0.098752 0.048150 -0.001096 27O 2py 0.070210 0.048243 0.034979 0.046693 -0.054285 0.010179 27O 3pz 0.062429 0.063989 0.101503 -0.082443 0.014845 0.436520 27O 3px 0.192976 0.111849 0.088999 0.295433 -1.031622 0.219459 27O 3py -0.063244 0.087456 -0.342755 -0.163845 0.319765 -0.514039 27O 1dz2 0.006276 0.005204 0.000956 -0.004061 -0.001750 0.000631 27O 1dxz 0.005386 0.001786 0.001443 -0.002692 -0.001920 -0.003060 27O 1dyz -0.003052 0.000727 -0.005398 0.002398 0.003574 -0.001846 27O 1dx2y2 -0.004270 -0.004141 -0.001892 -0.011203 0.007193 -0.003293 27O 1dxy -0.002544 0.001375 0.003061 0.002697 -0.001759 0.002520 27O 2dz2 0.113628 0.129962 0.022069 -0.063346 -0.124596 0.072110 27O 2dxz 0.043698 0.006632 0.060207 -0.097207 0.009505 -0.052714 27O 2dyz -0.012784 0.060526 -0.121628 0.081863 -0.028198 -0.172096 27O 2dx2y2 -0.051632 -0.156781 0.025761 -0.312989 0.291777 -0.197459 27O 2dxy -0.043495 0.036699 0.105340 0.129297 -0.200055 0.083564 27O 1f0 0.003840 0.002784 -0.001958 0.000477 -0.001683 0.003736 27O 1f+1 0.008512 0.006406 -0.000292 0.004390 -0.000854 0.004532 27O 1f-1 -0.001343 -0.003769 0.002335 -0.006181 0.001363 -0.000620 27O 1f+2 0.000548 0.001024 0.000498 0.006702 -0.006270 -0.002555 27O 1f-2 0.007290 0.007271 0.001737 0.000905 -0.005965 -0.002854 27O 1f+3 0.002531 0.005236 0.002790 0.006453 -0.002743 0.000796 27O 1f-3 -0.005833 -0.011254 0.006202 -0.006608 0.003217 -0.006230 28O 1s -0.003046 0.004072 0.005012 0.003270 0.003170 -0.002230 28O 2s -0.007866 0.010834 0.011746 0.007898 0.008609 -0.005218 28O 3s 0.018686 -0.025931 0.006385 0.006283 -0.026436 -0.002787 28O 4s 0.051313 -0.132790 -0.384435 -0.319115 -0.119956 0.202892 28O 5s 0.103500 0.068935 0.514071 0.160633 1.005531 -0.442846 28O 1pz -0.057689 -0.004574 0.053511 -0.041696 -0.031590 0.010172 28O 1px -0.044323 0.054800 0.087522 0.031635 0.027329 -0.014772 28O 1py 0.010144 -0.042298 0.040905 0.022313 0.000433 -0.003798 28O 2pz 0.011165 0.044260 0.059973 0.122890 -0.029246 -0.095854 28O 2px 0.054505 -0.091981 -0.170099 -0.157297 -0.004073 0.051873 28O 2py 0.012965 0.043171 -0.039327 0.034019 -0.028497 -0.027613 28O 3pz -0.260193 0.185018 0.308232 -0.018025 -0.450675 0.003961 28O 3px -0.142658 0.132391 0.355622 -0.080787 0.481358 -0.124272 28O 3py 0.099702 -0.234430 0.170747 0.142134 0.117976 -0.059520 28O 1dz2 0.001561 0.006020 0.001480 0.004171 0.004059 -0.002574 28O 1dxz -0.000874 -0.000057 -0.000652 -0.004375 0.000568 0.004011 28O 1dyz -0.009535 0.003780 0.006781 -0.000581 0.001227 -0.001789 28O 1dx2y2 0.000015 0.005675 0.002867 0.002364 -0.001113 -0.002371 28O 1dxy 0.000905 -0.001377 0.000662 0.000577 0.002574 0.000446 28O 2dz2 0.157728 -0.074836 -0.118310 0.170989 0.084295 -0.029442 28O 2dxz -0.051730 -0.010152 -0.026490 -0.114329 -0.154335 -0.015578 28O 2dyz -0.177489 0.130466 0.177534 -0.036748 0.036905 -0.122832 28O 2dx2y2 -0.101138 0.160069 0.148383 0.029639 0.022643 -0.022315 28O 2dxy 0.118207 -0.143104 0.006379 0.127163 0.063800 -0.040939 28O 1f0 -0.000295 -0.002362 -0.002869 -0.005759 -0.003775 -0.000939 28O 1f+1 0.003973 -0.008149 -0.007686 -0.004291 -0.002352 0.001226 28O 1f-1 0.001351 0.002201 0.004392 0.005699 -0.000532 -0.006762 28O 1f+2 -0.008099 0.002436 0.010539 0.007476 0.002764 -0.000760 28O 1f-2 0.000803 -0.006826 -0.000236 -0.002608 0.000391 0.002480 28O 1f+3 -0.002848 0.000014 0.006347 0.002152 0.000345 -0.001832 28O 1f-3 0.001742 -0.001096 0.000719 0.001151 0.001019 -0.002502 29O 1s -0.000408 -0.012412 -0.001424 0.002934 0.008982 -0.001343 29O 2s -0.001166 -0.039077 -0.004259 0.012444 0.029175 -0.003575 29O 3s 0.004533 0.216545 0.018730 -0.147281 -0.183233 0.002483 29O 4s 0.004024 -0.146619 0.005324 0.426484 0.267194 0.062730 29O 5s -0.000870 -0.507719 -0.076230 -0.068875 -0.022999 -0.063755 29O 1pz -0.019061 -0.008275 -0.008273 0.006817 0.000154 0.024614 29O 1px -0.012879 0.051055 -0.007641 -0.033892 -0.010432 0.008548 29O 1py 0.008357 -0.040668 -0.010611 0.033119 0.071845 -0.050889 29O 2pz 0.089556 -0.001687 0.092417 -0.110278 0.036316 -0.199736 29O 2px 0.032315 -0.164054 0.029272 0.102841 0.110210 -0.057719 29O 2py -0.017059 0.093166 0.008981 -0.153335 -0.132993 0.048846 29O 3pz -0.000478 -0.060917 -0.042059 0.008196 -0.024724 0.050198 29O 3px -0.014888 0.364927 0.009841 -0.013727 -0.117959 0.073450 29O 3py 0.019500 0.086994 0.004052 -0.064973 -0.061533 -0.008771 29O 1dz2 0.001386 0.001742 -0.000074 -0.001283 -0.001866 -0.003115 29O 1dxz -0.000856 0.002477 -0.001410 -0.000801 -0.003686 0.002717 29O 1dyz 0.000752 0.000495 0.001155 -0.003576 0.000806 -0.003898 29O 1dx2y2 -0.001106 -0.005163 -0.001719 0.002748 0.005904 0.000084 29O 1dxy 0.000708 -0.003446 0.001646 0.003295 0.002191 0.000668 29O 2dz2 0.036843 0.026205 -0.007443 0.033823 -0.032026 -0.016323 29O 2dxz -0.051447 -0.048052 0.057136 -0.040115 0.089785 -0.015418 29O 2dyz -0.044420 -0.009381 0.002408 -0.045047 0.025693 0.014001 29O 2dx2y2 -0.032748 -0.105566 -0.015899 -0.040686 0.055173 -0.037563 29O 2dxy -0.010003 -0.074156 0.033499 0.034998 0.061566 -0.000080 29O 1f0 0.000959 0.006587 0.001654 -0.015179 -0.005564 -0.004852 29O 1f+1 0.001112 -0.003233 0.001004 0.004680 0.003468 -0.001923 29O 1f-1 0.003740 0.004462 0.004248 -0.017057 -0.004458 -0.009420 29O 1f+2 -0.000561 -0.001406 -0.001379 0.006450 -0.000830 0.005428 29O 1f-2 -0.005776 0.007325 -0.005474 -0.009455 -0.007674 0.008036 29O 1f+3 0.001455 -0.001101 0.003006 -0.000609 0.000075 -0.002100 29O 1f-3 0.003793 -0.003199 0.001641 0.001403 0.004727 -0.007687 30O 1s 0.001614 0.005316 -0.003133 0.003611 0.004511 0.001801 30O 2s 0.003834 0.013820 -0.006866 0.010179 0.012595 0.003858 30O 3s -0.001923 -0.031376 -0.010752 -0.031695 -0.035023 0.010966 30O 4s -0.082068 -0.197668 0.282011 -0.077425 -0.224452 -0.251843 30O 5s -0.654323 0.530326 -0.658555 -0.158880 1.165726 0.822152 30O 1pz -0.001832 -0.068417 0.015517 -0.027825 -0.008188 -0.024448 30O 1px -0.007798 0.047140 -0.074791 0.031140 0.034430 0.019195 30O 1py 0.002206 0.006666 0.065544 -0.029754 0.033472 -0.012959 30O 2pz 0.119747 0.097359 -0.017678 0.018953 -0.017699 0.059686 30O 2px -0.093991 -0.082019 0.122052 -0.047713 -0.071086 -0.035291 30O 2py -0.123293 -0.036830 0.005789 -0.010715 0.003809 -0.040733 30O 3pz 0.008055 -0.282192 -0.031523 0.016267 0.036200 -0.049725 30O 3px -0.222339 0.210539 -0.428763 -0.064351 0.521806 0.332329 30O 3py 0.209510 0.087134 0.089936 -0.493004 0.124047 -0.086286 30O 1dz2 -0.006814 -0.003556 -0.000873 -0.001216 -0.001042 -0.000914 30O 1dxz -0.005235 -0.005827 -0.001123 -0.002162 0.003469 -0.001720 30O 1dyz -0.000758 -0.006737 0.007221 -0.003256 -0.001126 -0.003495 30O 1dx2y2 0.002911 -0.002424 -0.002830 -0.002065 0.000714 0.000491 30O 1dxy 0.005196 0.002682 0.000125 -0.004222 -0.000965 0.001514 30O 2dz2 -0.084474 -0.002924 -0.027174 0.099166 -0.092517 -0.079778 30O 2dxz 0.008228 -0.208248 0.061209 -0.118818 0.062571 0.007020 30O 2dyz -0.038344 -0.147740 0.199871 -0.026714 -0.100643 -0.119311 30O 2dx2y2 -0.004505 0.040312 -0.141512 0.102792 0.008877 0.016150 30O 2dxy 0.070705 0.080661 -0.007275 -0.211821 0.070833 -0.074765 30O 1f0 -0.005131 -0.004984 0.008230 -0.003246 -0.001115 -0.004259 30O 1f+1 0.001776 -0.001560 0.000252 0.000053 0.003364 0.002855 30O 1f-1 -0.006272 -0.006411 -0.001334 -0.000280 0.001633 -0.000849 30O 1f+2 -0.003740 -0.001089 0.000394 -0.001882 0.003205 -0.002743 30O 1f-2 0.007234 0.009263 -0.009106 0.002370 0.001766 0.001551 30O 1f+3 -0.000272 -0.003123 0.001188 -0.004889 0.002722 0.002174 30O 1f-3 0.003614 0.003850 -0.005254 -0.001377 0.005168 -0.002666 31O 1s 0.001582 -0.005188 0.003317 -0.002765 0.005219 0.001417 31O 2s 0.003825 -0.013475 0.007391 -0.007784 0.014625 0.002841 31O 3s -0.003384 0.030648 0.008630 0.024780 -0.042239 0.013456 31O 4s -0.068694 0.189865 -0.285623 0.040920 -0.231740 -0.239048 31O 5s -0.698230 -0.481011 0.698462 0.326547 1.111875 0.780459 31O 1pz 0.001431 -0.068549 0.016711 -0.026718 0.015517 0.019781 31O 1px 0.009811 0.044479 -0.076304 0.025188 -0.040708 -0.012484 31O 1py -0.001124 0.007579 0.064711 -0.036795 -0.028058 0.009517 31O 2pz -0.119678 0.100277 -0.017295 0.022334 0.010264 -0.052974 31O 2px 0.090920 -0.080107 0.122429 -0.032432 0.078555 0.028153 31O 2py 0.121805 -0.040084 0.005889 -0.011530 0.000090 0.038883 31O 3pz -0.017473 -0.283468 -0.022018 -0.003593 -0.024175 0.035629 31O 3px 0.243845 0.185050 -0.444479 -0.141288 -0.495183 -0.306671 31O 3py -0.198257 0.090770 0.081452 -0.502683 -0.033518 0.086892 31O 1dz2 -0.006970 0.003607 0.000906 0.000920 -0.001350 -0.000692 31O 1dxz -0.005130 0.005990 0.001142 0.002924 0.002764 -0.001463 31O 1dyz -0.000421 0.006609 -0.007422 0.003214 -0.001796 -0.002985 31O 1dx2y2 0.002981 0.002421 0.002780 0.002093 0.000226 0.000577 31O 1dxy 0.005039 -0.002853 -0.000116 0.003882 -0.001659 0.001452 31O 2dz2 -0.083684 0.000763 0.025668 -0.114146 -0.070996 -0.079311 31O 2dxz 0.012914 0.208497 -0.065113 0.133802 0.031746 0.019065 31O 2dyz -0.027721 0.144429 -0.205873 0.015096 -0.104371 -0.110575 31O 2dx2y2 -0.003986 -0.034984 0.140095 -0.101758 0.028007 0.004103 31O 2dxy 0.068061 -0.081963 0.010364 0.223090 0.032076 -0.079123 31O 1f0 0.004875 -0.005095 0.008437 -0.003132 0.001805 0.003835 31O 1f+1 -0.001774 -0.001643 0.000176 -0.000508 -0.003220 -0.002600 31O 1f-1 0.006381 -0.006581 -0.001402 -0.000534 -0.001307 0.000857 31O 1f+2 0.003802 -0.001274 0.000328 -0.002565 -0.002690 0.002660 31O 1f-2 -0.007112 0.009215 -0.009143 0.001966 -0.002348 -0.000871 31O 1f+3 0.000326 -0.003091 0.001204 -0.005277 -0.001632 -0.002030 31O 1f-3 -0.003444 0.003721 -0.005332 -0.002492 -0.004834 0.003298 32O 1s -0.000428 0.012437 0.001698 -0.001058 0.009226 -0.001406 32O 2s -0.001365 0.039131 0.005188 -0.006272 0.030661 -0.004047 32O 3s 0.009518 -0.216276 -0.025563 0.106309 -0.209042 0.011529 32O 4s -0.011684 0.145019 0.007154 -0.360342 0.357308 0.027661 32O 5s -0.009613 0.505112 0.077275 0.063505 -0.049655 -0.044006 32O 1pz 0.019775 -0.006202 -0.006132 0.003366 0.000366 -0.021680 32O 1px 0.013262 0.052211 -0.006508 -0.032182 0.018244 -0.012551 32O 1py -0.005217 -0.042362 -0.011668 0.014822 -0.078075 0.053068 32O 2pz -0.088320 -0.019023 0.080876 -0.090912 -0.023486 0.185281 32O 2px -0.023132 -0.169558 0.019966 0.085132 -0.132882 0.061636 32O 2py 0.005034 0.093958 0.016148 -0.121674 0.164227 -0.055677 32O 3pz 0.001397 -0.052965 -0.040146 0.004468 0.023813 -0.054032 32O 3px 0.006368 0.367458 0.014651 0.010743 0.113663 -0.068695 32O 3py -0.015776 0.088052 0.005056 -0.052271 0.072258 0.006476 32O 1dz2 0.001528 -0.001607 0.000172 0.000510 -0.002075 -0.002799 32O 1dxz -0.000680 -0.002644 0.001187 0.000135 -0.003901 0.002523 32O 1dyz 0.000642 -0.000169 -0.000992 0.003400 0.000247 -0.003753 32O 1dx2y2 -0.001338 0.005109 0.001907 -0.001369 0.006183 0.000147 32O 1dxy 0.000460 0.003491 -0.001359 -0.003007 0.002821 0.000690 32O 2dz2 0.042606 -0.031481 0.005492 -0.034598 -0.023780 -0.018937 32O 2dxz -0.055601 0.058625 -0.054991 0.049654 0.081454 -0.017406 32O 2dyz -0.049507 0.017419 -0.003570 0.045096 0.015881 0.014150 32O 2dx2y2 -0.047796 0.107774 0.018123 0.052601 0.041422 -0.030038 32O 2dxy -0.013054 0.078956 -0.033470 -0.020363 0.070396 -0.003923 32O 1f0 -0.001231 0.006094 0.001687 -0.012580 0.008197 0.003197 32O 1f+1 -0.000987 -0.003813 0.000771 0.004751 -0.005041 0.002469 32O 1f-1 -0.004558 0.004149 0.004169 -0.015270 0.008306 0.007843 32O 1f+2 0.000477 -0.001371 -0.001354 0.006863 -0.000993 -0.004710 32O 1f-2 0.005008 0.007833 -0.004514 -0.008364 0.009808 -0.008455 32O 1f+3 -0.001084 -0.001039 0.002630 -0.000441 0.000181 0.001652 32O 1f-3 -0.003520 -0.003580 0.001338 0.000531 -0.005150 0.007813 33O 1s -0.003011 -0.003941 -0.004936 -0.002599 0.004046 -0.002604 33O 2s -0.007690 -0.010488 -0.011550 -0.006088 0.010786 -0.006155 33O 3s 0.016578 0.025309 -0.006649 -0.011888 -0.026474 -0.001394 33O 4s 0.067773 0.129217 0.380946 0.291652 -0.190253 0.220239 33O 5s 0.018060 -0.073691 -0.495625 0.061776 1.019373 -0.495684 33O 1pz 0.053962 -0.005583 0.052838 -0.032091 0.036790 -0.010552 33O 1px 0.046511 0.052919 0.086231 0.025257 -0.037543 0.023144 33O 1py -0.012091 -0.042175 0.042611 0.022569 -0.005518 0.004075 33O 2pz -0.010215 0.042804 0.062365 0.124487 0.001789 0.103923 33O 2px -0.057568 -0.088318 -0.168888 -0.155621 0.041593 -0.063671 33O 2py -0.010989 0.042410 -0.038958 0.038127 0.020780 0.031273 33O 3pz 0.233858 0.183790 0.305339 0.093157 0.423768 -0.034885 33O 3px 0.180388 0.122906 0.345644 -0.178495 -0.463387 0.144852 33O 3py -0.122795 -0.234451 0.163884 0.124462 -0.142983 0.050607 33O 1dz2 0.001129 -0.005831 -0.001439 -0.003207 0.004981 -0.002884 33O 1dxz -0.000748 0.000119 0.000797 0.004120 -0.000290 0.004851 33O 1dyz -0.009218 -0.003620 -0.006682 0.000623 0.001437 -0.002031 33O 1dx2y2 -0.000534 -0.005611 -0.002949 -0.002368 -0.000442 -0.002601 33O 1dxy 0.001139 0.001473 -0.000525 -0.000202 0.002604 0.000565 33O 2dz2 0.147270 0.071842 0.115981 -0.146417 0.107748 -0.032318 33O 2dxz -0.042516 0.009829 0.025858 0.072087 -0.171302 0.009288 33O 2dyz -0.186166 -0.128740 -0.175387 0.044584 0.035053 -0.125110 33O 2dx2y2 -0.113610 -0.155793 -0.149967 -0.022769 0.036686 -0.030863 33O 2dxy 0.128707 0.144213 -0.003685 -0.116797 0.084709 -0.038520 33O 1f0 -0.000058 -0.002178 -0.002761 -0.004937 0.004974 0.000317 33O 1f+1 -0.004017 -0.007845 -0.007625 -0.003733 0.003495 -0.001809 33O 1f-1 -0.001208 0.002124 0.004441 0.005525 -0.000769 0.007423 33O 1f+2 0.008001 0.002114 0.010332 0.006900 -0.004468 0.001712 33O 1f-2 -0.000884 -0.006674 -0.000322 -0.002642 0.000316 -0.002814 33O 1f+3 0.003115 -0.000050 0.006447 0.002070 -0.000976 0.002213 33O 1f-3 -0.001620 -0.000991 0.000636 0.000804 -0.001150 0.002386 34O 1s -0.000853 0.002938 -0.001399 0.001180 0.001242 0.001763 34O 2s -0.001349 0.006740 -0.004360 0.002219 0.002984 0.005191 34O 3s -0.020408 0.010641 0.025535 0.008772 -0.006187 -0.015320 34O 4s 0.177172 -0.287347 -0.058057 -0.150036 -0.141155 -0.109345 34O 5s -0.084347 0.304524 -0.010180 0.741796 1.338467 0.281950 34O 1pz -0.022594 0.036828 0.041481 0.061761 0.060972 0.001067 34O 1px -0.040979 0.091290 -0.000720 0.091236 0.070980 -0.026332 34O 1py 0.036158 -0.016493 -0.046007 -0.014088 -0.060837 -0.006222 34O 2pz 0.040444 -0.049041 -0.052125 -0.019035 -0.058953 0.023671 34O 2px 0.190131 -0.205770 -0.052769 -0.106173 -0.024298 0.008423 34O 2py -0.068869 0.052352 0.035430 0.058618 0.043459 -0.009018 34O 3pz -0.063109 0.065529 0.099939 -0.065346 -0.001300 -0.424553 34O 3px -0.208229 0.139661 0.104118 0.504299 0.943127 -0.225309 34O 3py 0.077860 0.076721 -0.346604 -0.247483 -0.279515 0.518869 34O 1dz2 0.006226 -0.005381 -0.001080 0.003753 -0.002305 0.000760 34O 1dxz 0.005448 -0.001956 -0.001605 0.002413 -0.002328 -0.003161 34O 1dyz -0.003105 -0.000397 0.005471 -0.001590 0.003892 -0.001815 34O 1dx2y2 -0.004285 0.004509 0.001911 0.012604 0.004756 -0.003255 34O 1dxy -0.002623 -0.001401 -0.003039 -0.002971 -0.001110 0.002886 34O 2dz2 0.114077 -0.136246 -0.026173 0.038300 -0.129817 0.072762 34O 2dxz 0.047733 -0.009505 -0.059148 0.101159 -0.007850 -0.046352 34O 2dyz -0.017901 -0.059053 0.120401 -0.079630 -0.012440 -0.169201 34O 2dx2y2 -0.051633 0.166848 -0.025669 0.373222 0.218847 -0.187450 34O 2dxy -0.045589 -0.041804 -0.110092 -0.168333 -0.170983 0.092685 34O 1f0 -0.003626 0.002916 -0.002078 0.000947 0.001472 -0.003340 34O 1f+1 -0.008154 0.006545 -0.000317 0.004544 -0.000101 -0.004607 34O 1f-1 0.001285 -0.003805 0.002421 -0.006420 -0.000111 0.000651 34O 1f+2 -0.000506 0.001258 0.000594 0.007740 0.004788 0.002275 34O 1f-2 -0.007116 0.007603 0.001819 0.002019 0.005429 0.002955 34O 1f+3 -0.002203 0.005297 0.002817 0.006779 0.001255 -0.001144 34O 1f-3 0.005294 -0.011320 0.006295 -0.007477 -0.001685 0.006042 35O 1s 0.001299 0.002017 0.001257 0.001135 0.001500 -0.001291 35O 2s 0.003059 0.004144 0.004510 0.003213 0.004588 -0.003832 35O 3s 0.001755 0.017202 -0.039939 -0.007859 -0.021173 0.010784 35O 4s -0.030228 -0.255795 0.145070 -0.059213 -0.064144 0.069728 35O 5s -0.198391 0.302363 0.134759 0.115723 0.529325 0.097726 35O 1pz -0.071612 0.025580 -0.044412 0.021917 0.062381 -0.003937 35O 1px -0.012419 0.056299 0.011257 0.028283 0.012875 0.059621 35O 1py 0.019125 0.109128 0.012010 0.010843 0.082898 0.014453 35O 2pz 0.050047 -0.064989 0.034203 -0.000726 -0.053321 -0.032375 35O 2px -0.016473 -0.165670 0.065628 -0.042552 -0.035592 -0.024295 35O 2py 0.003082 -0.137502 0.059168 -0.051108 -0.066196 -0.023597 35O 3pz -0.368016 0.072382 -0.151743 0.039520 0.100926 0.587421 35O 3px -0.219340 0.199135 0.034194 0.019311 0.377370 0.392161 35O 3py -0.235965 0.121088 -0.104660 0.125269 0.236590 0.505704 35O 1dz2 -0.000889 -0.009864 -0.002323 0.004005 -0.006253 -0.003357 35O 1dxz -0.003659 0.000371 -0.005381 0.003530 -0.001734 0.003729 35O 1dyz 0.006527 0.002184 0.004966 -0.002437 -0.002636 -0.000274 35O 1dx2y2 -0.005415 0.002252 -0.003127 0.004847 0.000707 0.001568 35O 1dxy -0.000069 0.005971 -0.001946 0.001870 0.000031 0.004152 35O 2dz2 -0.077380 -0.235476 -0.115610 0.120544 -0.128410 -0.229043 35O 2dxz -0.231131 0.000317 -0.094547 0.099047 0.060574 0.093732 35O 2dyz 0.062831 0.098491 0.103737 -0.044069 0.047229 -0.090944 35O 2dx2y2 -0.137523 0.053628 -0.066108 0.105475 0.018569 0.132047 35O 2dxy -0.074464 0.181105 0.036919 0.051775 0.083933 0.178700 35O 1f0 0.001771 0.000546 0.002864 0.003168 -0.002169 0.005435 35O 1f+1 0.005788 0.007521 0.000090 -0.000596 0.002909 0.005434 35O 1f-1 0.003031 0.000223 -0.000246 0.000193 -0.003664 -0.000368 35O 1f+2 -0.004643 0.001306 -0.006090 0.003115 0.004397 -0.004192 35O 1f-2 -0.005918 -0.010190 -0.005372 0.002269 -0.003003 -0.004777 35O 1f+3 0.001490 0.004018 -0.002895 -0.003918 0.004737 -0.003973 35O 1f-3 -0.000276 0.008763 0.000213 0.005107 0.000254 0.005149 408 409 410 411 412 413 2.23446 2.23637 2.24430 2.24625 2.25513 2.25663 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s -0.001366 0.001611 0.000931 0.002738 -0.001109 0.003069 0Rh 2s 0.008588 -0.009850 -0.007519 -0.009014 0.008782 -0.022123 0Rh 3s -0.002807 0.003481 0.000898 0.010636 -0.001167 0.004589 0Rh 4s -0.043361 0.049766 0.038314 0.045005 -0.044227 0.112674 0Rh 5s 0.071261 -0.081114 -0.074128 -0.033899 0.077933 -0.208306 0Rh 6s -0.006079 0.005659 0.059311 -0.172778 -0.019907 0.133562 0Rh 7s -0.200135 0.219578 -0.191979 1.002020 -0.077396 -0.608330 0Rh 8s -0.547923 0.566359 0.368132 -0.148672 -0.730798 0.505063 0Rh 1pz 0.001532 -0.002011 0.000057 0.004029 -0.001923 0.002907 0Rh 1px -0.000994 0.002170 -0.000908 0.005229 0.015722 -0.008018 0Rh 1py 0.000165 0.000772 0.002994 -0.000270 0.002591 -0.004463 0Rh 2pz -0.005317 0.007062 -0.000263 -0.014386 0.007399 -0.010058 0Rh 2px 0.004143 -0.008521 0.003181 -0.018078 -0.056770 0.027788 0Rh 2py -0.000339 -0.002856 -0.010980 0.000978 -0.009279 0.015286 0Rh 3pz 0.001970 -0.004368 0.001486 0.013028 -0.017768 0.002686 0Rh 3px -0.016115 0.023811 -0.002015 0.004526 0.064827 -0.008656 0Rh 3py -0.004867 0.004717 0.016163 -0.001162 0.009145 -0.000695 0Rh 4pz 0.027268 -0.029308 -0.005395 0.044851 0.021277 0.057181 0Rh 4px 0.038119 -0.039224 -0.010675 0.106129 0.127321 -0.150307 0Rh 4py 0.022389 0.000040 0.007923 -0.001102 0.026239 -0.100255 0Rh 5pz -0.045104 0.049080 0.022204 -0.065025 -0.031449 -0.103207 0Rh 5px -0.076672 0.076562 -0.000185 -0.206669 -0.259377 0.247672 0Rh 5py -0.041704 -0.000346 0.000920 -0.005065 -0.057249 0.174879 0Rh 6pz -0.351610 0.407760 -0.392533 -1.293405 0.093794 0.311274 0Rh 6px 0.438488 -0.450483 0.247643 0.171330 0.337588 0.149946 0Rh 6py 0.153317 -0.067023 -1.086702 0.208443 0.943081 0.069374 0Rh 1dz2 0.002131 -0.002165 -0.005819 -0.016879 0.004942 -0.001970 0Rh 1dxz 0.000950 -0.002383 0.009479 0.023255 0.010891 -0.025213 0Rh 1dyz 0.003377 0.003572 0.002257 0.008196 -0.005717 -0.004513 0Rh 1dx2y2 -0.000366 -0.000551 0.000481 0.012339 -0.003088 0.012177 0Rh 1dxy 0.002621 -0.000340 0.033375 -0.009816 0.009041 -0.003241 0Rh 2dz2 0.000086 -0.000921 0.000408 0.000094 -0.002105 0.001439 0Rh 2dxz -0.000887 0.000800 0.000508 -0.003255 -0.003114 0.002250 0Rh 2dyz -0.000889 -0.001142 -0.001222 -0.000707 -0.000732 0.002854 0Rh 2dx2y2 0.000002 0.000538 -0.000693 0.000627 0.003980 -0.002627 0Rh 2dxy -0.000354 -0.000356 -0.003314 0.001475 0.001969 0.001545 0Rh 3dz2 -0.006073 0.009895 0.013859 0.044972 -0.003552 -0.000991 0Rh 3dxz 0.001335 0.002952 -0.027481 -0.047552 -0.014902 0.057939 0Rh 3dyz -0.005102 -0.004542 -0.000547 -0.018721 0.018622 -0.000698 0Rh 3dx2y2 0.001027 -0.001057 0.001688 -0.036357 -0.010077 -0.021600 0Rh 3dxy -0.005463 0.002499 -0.074762 0.019573 -0.033121 0.001739 0Rh 4dz2 0.001205 -0.012434 0.006063 0.001107 -0.036780 0.019772 0Rh 4dxz -0.012828 0.010625 0.003953 -0.054598 -0.054929 0.033103 0Rh 4dyz -0.011614 -0.014152 -0.017763 -0.013034 -0.010548 0.043551 0Rh 4dx2y2 0.000151 0.009522 -0.009280 0.014527 0.069244 -0.031726 0Rh 4dxy -0.004097 -0.004603 -0.051349 0.025040 0.028030 0.024043 0Rh 5dz2 -0.016702 -0.002441 -0.069881 -0.076328 0.202096 -0.101645 0Rh 5dxz 0.074991 -0.064143 0.023092 0.325264 0.321082 -0.269973 0Rh 5dyz -0.013862 -0.032898 0.037174 0.098354 0.024687 -0.179183 0Rh 5dx2y2 -0.031778 -0.036471 0.055931 -0.019911 -0.363823 0.196338 0Rh 5dxy -0.017173 -0.009569 0.324750 -0.140007 -0.049745 -0.075761 0Rh 1f0 -0.065189 -0.111673 0.074314 0.200537 -0.120734 0.069846 0Rh 1f+1 0.072426 0.140634 0.008012 0.029213 0.020071 -0.106475 0Rh 1f-1 -0.065603 -0.174182 -0.047021 -0.063162 0.027371 0.038759 0Rh 1f+2 -0.087721 -0.031172 -0.092434 -0.080242 0.192630 -0.078285 0Rh 1f-2 0.216908 0.243273 -0.110493 -0.053499 0.029038 0.076199 0Rh 1f+3 -0.002858 -0.036751 -0.096087 -0.146287 0.185251 -0.158280 0Rh 1f-3 -0.238731 -0.014160 0.183172 -0.107237 0.054291 -0.101682 1Rh 1s 0.001378 -0.001668 0.000861 0.002664 0.000476 0.003249 1Rh 2s -0.008647 0.010176 -0.007191 -0.008414 -0.003009 -0.023475 1Rh 3s 0.002839 -0.003615 0.000684 0.010570 0.000963 0.004823 1Rh 4s 0.043661 -0.051417 0.036634 0.041998 0.014746 0.119424 1Rh 5s -0.071696 0.083769 -0.071480 -0.028697 -0.018097 -0.219204 1Rh 6s 0.005796 -0.005707 0.058576 -0.173310 -0.039168 0.130622 1Rh 7s 0.206852 -0.227420 -0.193542 0.989648 0.368340 -0.551817 1Rh 8s 0.557432 -0.581555 0.374148 -0.231425 0.533900 0.670976 1Rh 1pz 0.001624 -0.002036 -0.000296 -0.003737 -0.001344 -0.003160 1Rh 1px -0.001137 0.002334 0.002094 -0.006239 0.012252 0.011813 1Rh 1py 0.000227 0.000686 -0.002615 0.000161 0.001401 0.004740 1Rh 2pz -0.005643 0.007152 0.001157 0.013316 0.005388 0.011084 1Rh 2px 0.004643 -0.009096 -0.007538 0.021748 -0.044657 -0.041539 1Rh 2py -0.000560 -0.002554 0.009652 -0.000594 -0.005229 -0.016354 1Rh 3pz 0.002224 -0.004400 -0.003168 -0.011545 -0.017002 -0.006160 1Rh 3px -0.016414 0.024143 0.008474 -0.009165 0.059309 0.025311 1Rh 3py -0.004678 0.004529 -0.015500 0.000976 0.009475 0.003345 1Rh 4pz 0.028448 -0.029815 0.006206 -0.043492 0.031635 -0.050341 1Rh 4px 0.035873 -0.036543 0.014384 -0.112630 0.068074 0.177467 1Rh 4py 0.023178 -0.001296 -0.001446 -0.000870 -0.002560 0.096668 1Rh 5pz -0.047289 0.050335 -0.023673 0.061792 -0.051085 0.092901 1Rh 5px -0.072079 0.070690 -0.008647 0.221072 -0.156765 -0.304876 1Rh 5py -0.043388 0.002319 -0.013984 0.009710 -0.004894 -0.169983 1Rh 6pz -0.352846 0.397717 0.438818 1.284862 0.276868 -0.244556 1Rh 6px 0.435172 -0.442408 -0.245833 -0.207884 0.353360 -0.056074 1Rh 6py 0.141427 -0.060276 1.145475 -0.286159 0.840947 0.132821 1Rh 1dz2 -0.001806 0.002097 -0.005637 -0.016426 -0.004852 -0.003088 1Rh 1dxz -0.000996 0.002269 0.009675 0.023836 -0.003028 -0.027168 1Rh 1dyz -0.002408 -0.004447 0.002529 0.007572 0.007010 -0.002803 1Rh 1dx2y2 0.000443 0.000318 0.001058 0.011877 0.000295 0.012320 1Rh 1dxy -0.002470 -0.000071 0.033217 -0.009013 -0.010764 -0.006049 1Rh 2dz2 0.000037 0.000800 0.000535 -0.000106 0.001649 0.001936 1Rh 2dxz 0.000908 -0.000820 0.000671 -0.003521 0.002078 0.002821 1Rh 2dyz 0.001190 0.000909 -0.001242 -0.000722 0.000035 0.002948 1Rh 2dx2y2 0.000017 -0.000536 -0.001094 0.001029 -0.003017 -0.003474 1Rh 2dxy 0.000472 0.000271 -0.003414 0.001670 -0.001956 0.001007 1Rh 3dz2 0.004646 -0.009169 0.012779 0.044678 0.005339 -0.000272 1Rh 3dxz -0.001301 -0.002572 -0.028780 -0.047884 -0.001627 0.060510 1Rh 3dyz 0.001150 0.007939 -0.001177 -0.016990 -0.018960 -0.005712 1Rh 3dx2y2 -0.001330 0.001689 0.001993 -0.036975 0.013362 -0.018049 1Rh 3dxy 0.004521 -0.001006 -0.073868 0.016539 0.037694 0.011693 1Rh 4dz2 0.000746 0.010558 0.008295 -0.002362 0.029968 0.028321 1Rh 4dxz 0.013066 -0.010745 0.007019 -0.059279 0.039050 0.044024 1Rh 4dyz 0.016307 0.010511 -0.018318 -0.013118 -0.000248 0.044839 1Rh 4dx2y2 0.000282 -0.009693 -0.016134 0.021533 -0.055744 -0.046831 1Rh 4dxy 0.006032 0.003205 -0.053142 0.027937 -0.027711 0.016505 1Rh 5dz2 0.009350 0.010627 -0.079718 -0.057764 -0.167075 -0.146115 1Rh 5dxz -0.075843 0.063851 0.009438 0.350722 -0.212822 -0.336715 1Rh 5dyz -0.002091 0.045213 0.043734 0.095847 0.024159 -0.178440 1Rh 5dx2y2 0.029788 0.036288 0.089080 -0.056497 0.286414 0.273408 1Rh 5dxy 0.009007 0.014138 0.331847 -0.146935 0.033798 -0.065575 1Rh 1f0 -0.067079 -0.108113 -0.082576 -0.190186 -0.109110 -0.098623 1Rh 1f+1 0.073688 0.137935 0.003356 -0.029278 -0.005625 0.111349 1Rh 1f-1 -0.064641 -0.175237 0.043954 0.059647 0.045182 -0.030154 1Rh 1f+2 -0.086654 -0.035355 0.108254 0.066821 0.164041 0.125355 1Rh 1f-2 0.221747 0.238294 0.114931 0.051771 0.044358 -0.065035 1Rh 1f+3 -0.001232 -0.041131 0.108284 0.131715 0.149309 0.202896 1Rh 1f-3 -0.239415 -0.012581 -0.172395 0.104040 0.046556 0.114751 2C 1s -0.000750 0.002641 -0.002406 0.000828 0.001120 -0.003942 2C 2s 0.004125 -0.001607 -0.000790 -0.009581 -0.002406 -0.007018 2C 3s -0.007677 -0.003724 -0.059067 0.167145 0.056964 0.055059 2C 4s -0.041761 -0.025101 0.589789 -0.586703 -0.274073 0.109632 2C 5s -1.587568 2.204648 -3.403289 2.651700 2.075894 -0.181852 2C 1pz 0.084295 -0.103484 0.044544 -0.051568 -0.008402 0.060209 2C 1px -0.101444 0.046142 -0.013847 -0.074282 0.008978 -0.011321 2C 1py 0.022321 -0.056674 0.082471 0.011801 -0.088429 0.069129 2C 2pz -0.066512 -0.091839 0.420566 -0.357425 -0.163191 0.254438 2C 2px 0.393192 -0.130805 -0.147341 -0.107065 -0.181916 0.120200 2C 2py 0.031997 -0.002084 0.089465 -0.338851 0.069117 0.146066 2C 3pz -0.289798 0.470316 -0.761944 0.478956 0.431444 -0.021971 2C 3px -0.212672 0.091133 -0.256991 0.177967 0.023960 -0.202794 2C 3py -0.277448 0.344994 -0.439370 0.420084 0.226448 0.014981 2C 1dz2 -0.020585 -0.014274 0.016175 0.023483 -0.009429 -0.018535 2C 1dxz 0.021777 0.045224 0.007998 0.000866 -0.012257 -0.021893 2C 1dyz -0.012492 0.018277 -0.011140 0.013969 0.015376 -0.018644 2C 1dx2y2 0.017633 -0.016371 -0.017509 -0.009151 -0.009022 0.022406 2C 1dxy 0.009864 0.042938 -0.003463 -0.002122 0.027416 -0.010144 2C 2dz2 -0.028196 0.052080 0.140331 -0.077495 -0.003698 0.078709 2C 2dxz 0.072562 -0.268016 -0.014378 0.054459 -0.030514 0.155895 2C 2dyz -0.005346 0.078704 0.033304 -0.229393 -0.049553 0.097092 2C 2dx2y2 -0.004756 0.158649 -0.078007 -0.036186 -0.011334 -0.033317 2C 2dxy 0.074931 -0.195480 -0.073322 -0.057730 -0.059495 0.055439 2C 1f0 -0.003511 0.005279 -0.046744 0.014344 -0.029628 -0.001817 2C 1f+1 0.021461 -0.002902 -0.018070 -0.046675 0.000204 -0.004755 2C 1f-1 -0.008674 -0.021948 0.072061 0.002769 -0.002828 0.004235 2C 1f+2 0.026810 -0.051533 0.079600 -0.031624 -0.018829 0.019395 2C 1f-2 -0.035622 0.079436 -0.039626 0.080992 0.024189 -0.035682 2C 1f+3 0.065278 -0.084311 0.079408 -0.098575 -0.066928 0.054943 2C 1f-3 0.019197 -0.022775 -0.033481 -0.057216 -0.017318 0.012221 3C 1s -0.002855 0.002203 -0.001309 0.000185 0.003226 -0.004453 3C 2s 0.000907 -0.003807 -0.004452 -0.012189 0.003653 -0.011236 3C 3s -0.034678 0.051109 0.065376 0.169942 -0.003771 0.082261 3C 4s 0.299887 -0.303990 -0.265911 -0.512502 -0.272498 0.183224 3C 5s -2.269740 2.622614 2.248178 2.057679 0.672329 -0.833040 3C 1pz 0.115724 -0.146109 0.005626 0.050512 0.000134 0.118038 3C 1px 0.006256 0.063255 -0.055465 -0.031912 -0.020799 0.005880 3C 1py -0.053869 0.066974 -0.016970 0.086101 0.089131 -0.021671 3C 2pz 0.001168 0.114889 -0.101788 -0.279773 -0.254302 0.006246 3C 2px 0.027401 -0.374681 0.246899 -0.287535 -0.186759 0.161620 3C 2py -0.297859 0.238351 0.059246 0.288568 0.204419 -0.278967 3C 3pz -0.225351 0.207017 0.269990 0.255378 0.003057 0.061506 3C 3px -0.176423 0.365887 0.047716 0.239728 0.106588 -0.150298 3C 3py 0.497690 -0.536391 -0.556887 -0.365050 -0.157038 0.285937 3C 1dz2 0.025000 -0.005318 0.010391 -0.013871 -0.010457 -0.020495 3C 1dxz -0.037979 0.011035 -0.027924 0.016597 0.018736 0.018521 3C 1dyz -0.001401 -0.026546 0.008044 -0.007492 -0.000932 0.035370 3C 1dx2y2 -0.020480 -0.016276 0.017986 -0.030530 -0.023040 0.022724 3C 1dxy 0.046494 0.011595 0.002946 -0.011849 -0.023510 -0.021698 3C 2dz2 -0.085619 0.055110 -0.058223 0.062984 0.069862 0.004943 3C 2dxz 0.241343 -0.072860 0.107556 -0.028351 -0.118376 -0.091704 3C 2dyz 0.114857 -0.031125 0.026443 0.177207 0.057529 -0.084650 3C 2dx2y2 -0.062047 0.072041 0.060047 -0.002800 0.024102 -0.164992 3C 2dxy -0.161228 0.135461 -0.119152 0.128005 0.169706 -0.040112 3C 1f0 -0.077900 0.080978 0.028630 0.042132 0.040190 -0.055908 3C 1f+1 -0.019599 0.013249 0.033144 -0.028219 0.001754 -0.033310 3C 1f-1 -0.058324 0.048001 0.013460 0.069475 0.040030 -0.002987 3C 1f+2 0.055312 -0.087575 0.004671 -0.117709 -0.050636 0.023565 3C 1f-2 0.054876 -0.030317 -0.027170 -0.024236 -0.030397 0.019489 3C 1f+3 0.006520 -0.007389 -0.023131 -0.025367 -0.011533 0.008945 3C 1f-3 -0.032544 0.031353 -0.022105 0.076527 0.030492 0.023243 4C 1s 0.001121 0.001488 -0.013077 0.013561 0.001368 -0.002997 4C 2s 0.006115 0.001216 -0.043954 0.044466 0.004107 -0.008569 4C 3s -0.096871 0.051497 0.280970 -0.517080 -0.240691 -0.000585 4C 4s 0.085983 0.040857 -0.206622 1.272682 1.472646 0.146072 4C 5s 0.843688 -1.176285 1.899567 -1.352103 -0.179271 0.119371 4C 1pz -0.220328 0.114630 -0.040769 0.109407 0.044922 -0.097724 4C 1px 0.350151 0.133958 -0.175736 -0.094448 0.099000 0.081344 4C 1py -0.027425 0.148377 -0.107938 0.005703 0.114924 -0.037260 4C 2pz 0.469885 -0.184824 0.672778 -0.395216 0.145929 0.311422 4C 2px -0.702750 -0.666643 -0.207055 -0.135819 -0.368855 0.052522 4C 2py 0.052879 -0.396020 0.367602 -0.213381 -0.177327 0.236815 4C 3pz -0.867154 0.981531 -1.763609 1.532364 1.130762 -0.294989 4C 3px 0.350728 0.292575 -0.702134 -0.330317 0.268482 0.211177 4C 3py -0.424027 0.747929 -1.391869 0.720592 0.952529 -0.188194 4C 1dz2 0.000135 0.049518 -0.019161 0.002865 0.014028 -0.007867 4C 1dxz -0.071571 0.011661 0.061910 0.042964 0.000784 -0.018377 4C 1dyz -0.010583 0.025377 -0.013096 0.035863 0.005616 -0.030586 4C 1dx2y2 0.012718 -0.020711 -0.027189 0.010998 -0.013657 0.015878 4C 1dxy -0.036731 -0.015603 0.017444 0.033062 0.011137 -0.014611 4C 2dz2 0.031640 0.297590 -0.089260 0.108910 0.018154 -0.264941 4C 2dxz 0.004181 -0.438390 -0.418784 0.039569 -0.276440 -0.116061 4C 2dyz 0.044822 0.000443 -0.316898 0.164806 0.128301 -0.264457 4C 2dx2y2 0.075451 -0.217207 0.277029 0.052808 0.100232 0.317648 4C 2dxy -0.041988 -0.286707 -0.066883 0.165578 -0.025375 0.113247 4C 1f0 -0.015775 -0.029187 0.005948 0.012845 -0.024619 -0.003826 4C 1f+1 0.034048 0.021339 -0.041441 -0.014800 -0.018820 0.009435 4C 1f-1 -0.053723 0.017731 -0.019433 0.010823 0.003803 -0.025778 4C 1f+2 -0.009231 -0.007443 0.058629 0.025471 -0.011321 -0.003644 4C 1f-2 0.050143 0.053352 -0.054452 -0.027227 0.003351 0.009000 4C 1f+3 -0.010156 0.021695 0.010641 -0.003258 0.015043 -0.010977 4C 1f-3 -0.025830 -0.019086 0.004915 0.009153 -0.006703 -0.010662 5C 1s -0.003430 0.002291 0.009105 0.014671 0.010599 -0.004018 5C 2s -0.008585 0.004698 0.030459 0.047088 0.032867 -0.013008 5C 3s 0.078341 -0.044311 -0.140244 -0.496991 -0.189446 -0.053536 5C 4s -0.502273 0.468210 -0.436404 1.029887 -0.046343 0.584964 5C 5s 1.241380 -1.468021 -1.628000 -1.392072 -1.179871 0.433430 5C 1pz -0.063367 0.220774 -0.069496 0.054368 -0.031906 -0.077816 5C 1px -0.208006 -0.249668 0.212039 -0.133839 0.139488 0.007818 5C 1py 0.131473 -0.238768 0.044777 -0.093345 -0.032587 0.067459 5C 2pz 0.135739 -0.540599 -0.146139 -0.100952 -0.012009 0.355824 5C 2px 0.669484 0.535936 -0.196854 -0.278664 -0.755614 0.066181 5C 2py -0.343599 0.605876 0.252455 0.372285 0.297717 -0.449244 5C 3pz -0.614296 0.890860 0.553761 0.570000 0.121782 -0.556653 5C 3px -0.547369 -0.020209 0.837806 -0.281945 0.078789 -0.177062 5C 3py 0.928556 -1.162044 -1.042262 -0.888047 -0.097179 0.680541 5C 1dz2 -0.022780 0.000771 -0.001565 -0.029676 -0.007986 0.019104 5C 1dxz -0.009003 0.052035 -0.034465 0.026985 0.003669 -0.003269 5C 1dyz 0.038204 -0.009521 -0.014270 -0.022339 -0.026455 0.021615 5C 1dx2y2 0.034331 0.005413 0.002038 0.001691 -0.014477 -0.009796 5C 1dxy -0.013871 -0.052883 0.054895 -0.058100 -0.019595 0.006096 5C 2dz2 -0.185375 0.080340 0.074052 -0.122684 0.091408 -0.201190 5C 2dxz -0.025284 0.163731 0.004013 -0.020802 0.153963 -0.272536 5C 2dyz 0.266045 -0.104261 0.071484 -0.160493 -0.242375 0.167572 5C 2dx2y2 0.284817 -0.060548 -0.025911 -0.128626 -0.555863 0.351598 5C 2dxy -0.273279 -0.073343 -0.265710 0.044851 0.103941 0.391500 5C 1f0 0.018111 -0.044399 0.014666 -0.010662 -0.008401 0.006761 5C 1f+1 0.015748 0.014428 -0.000092 0.009707 -0.006844 -0.019812 5C 1f-1 -0.017779 -0.030689 0.012037 0.005985 0.013140 0.019860 5C 1f+2 -0.000482 -0.045469 -0.006763 -0.003630 -0.003414 0.037730 5C 1f-2 0.053199 0.033770 -0.062390 0.054186 -0.008138 0.025497 5C 1f+3 -0.026535 -0.000402 0.017760 -0.004465 0.021223 -0.007087 5C 1f-3 -0.046296 -0.017101 -0.009450 -0.017124 -0.000495 0.029664 6C 1s 0.005157 -0.003907 0.008749 0.015112 -0.008213 -0.006595 6C 2s 0.014262 -0.010001 0.029642 0.048435 -0.025258 -0.020993 6C 3s -0.126764 0.089081 -0.139981 -0.499630 0.150375 0.004736 6C 4s 0.569004 -0.522159 -0.443064 0.996213 0.034301 0.527179 6C 5s -1.483624 1.693571 -1.459852 -1.479578 1.024398 0.692697 6C 1pz -0.067449 0.223257 0.076747 -0.048735 -0.055150 0.067067 6C 1px -0.212153 -0.246607 -0.198507 0.113605 0.154263 0.027845 6C 1py 0.139044 -0.244265 -0.060660 0.092930 -0.007414 -0.072121 6C 2pz 0.170454 -0.569041 0.127955 0.098295 0.069693 -0.339557 6C 2px 0.698094 0.512122 0.134852 0.342775 -0.678059 -0.241545 6C 2py -0.403594 0.656340 -0.204279 -0.388850 0.163446 0.490731 6C 3pz -0.719260 0.981727 -0.493233 -0.559305 -0.042925 0.593357 6C 3px -0.590695 0.015989 -0.809446 0.266476 0.113627 0.212224 6C 3py 1.092893 -1.308273 0.964103 0.868998 0.094258 -0.724143 6C 1dz2 0.021661 0.000629 -0.002511 -0.029205 0.000038 0.020367 6C 1dxz 0.008753 -0.051719 -0.038184 0.026570 0.001308 -0.003783 6C 1dyz -0.038996 0.010162 -0.011006 -0.024327 0.018287 0.027956 6C 1dx2y2 -0.033438 -0.006146 0.005040 -0.000037 0.016183 -0.005635 6C 1dxy 0.013637 0.053169 0.056451 -0.058139 0.008535 0.010546 6C 2dz2 0.188077 -0.079468 0.052739 -0.114622 -0.052913 -0.209199 6C 2dxz 0.033579 -0.168785 -0.001552 -0.014521 -0.082672 -0.295786 6C 2dyz -0.280258 0.113507 0.092623 -0.170936 0.166530 0.222675 6C 2dx2y2 -0.304778 0.075488 0.008757 -0.161144 0.434505 0.470187 6C 2dxy 0.247014 0.094196 -0.286802 0.054917 -0.186932 0.350648 6C 1f0 0.019072 -0.045078 -0.017627 0.010950 -0.005270 -0.008410 6C 1f+1 0.015277 0.014772 -0.001131 -0.008753 -0.012094 0.017309 6C 1f-1 -0.017604 -0.030739 -0.011748 -0.006786 0.017060 -0.015638 6C 1f+2 0.002047 -0.047280 0.005234 0.003427 0.005098 -0.037357 6C 1f-2 0.054793 0.032447 0.060759 -0.051987 -0.009895 -0.026942 6C 1f+3 -0.027329 0.000344 -0.015451 0.003145 0.020263 0.011909 6C 1f-3 -0.044925 -0.018534 0.011462 0.016062 0.007333 -0.028763 7C 1s -0.002757 -0.000078 -0.013631 0.013506 0.001728 -0.002104 7C 2s -0.011494 0.003447 -0.045492 0.044285 0.005788 -0.005600 7C 3s 0.146203 -0.094003 0.304794 -0.531644 0.163620 0.030123 7C 4s -0.188476 0.049928 -0.323516 1.382777 -1.342822 -0.193942 7C 5s -0.564608 0.929738 2.006392 -1.375099 -0.104464 0.057559 7C 1pz -0.203986 0.101152 0.054187 -0.112817 0.011151 0.102241 7C 1px 0.347861 0.133395 0.176974 0.083577 0.106378 -0.054998 7C 1py -0.018890 0.139355 0.119713 -0.016890 0.093612 0.063325 7C 2pz 0.391619 -0.116341 -0.681179 0.387116 0.295077 -0.224665 7C 2px -0.699267 -0.667569 0.170720 0.166645 -0.319756 -0.128970 7C 2py 0.009130 -0.354556 -0.392900 0.233821 -0.058468 -0.246360 7C 3pz -0.651809 0.789150 1.918787 -1.611822 0.761151 0.509333 7C 3px 0.371175 0.268754 0.720816 0.301670 0.306481 -0.128214 7C 3py -0.285566 0.619623 1.504925 -0.800643 0.720814 0.381129 7C 1dz2 -0.000051 -0.049332 -0.022150 0.003186 -0.009715 -0.011353 7C 1dxz 0.071333 -0.012234 0.058419 0.042722 0.002968 -0.017692 7C 1dyz 0.009242 -0.024542 -0.015308 0.035711 0.006620 -0.029749 7C 1dx2y2 -0.013536 0.021668 -0.026415 0.009863 0.011941 0.020490 7C 1dxy 0.035902 0.016138 0.016343 0.033658 -0.004216 -0.015771 7C 2dz2 -0.048990 -0.281449 -0.114788 0.105738 0.069104 -0.240450 7C 2dxz -0.017548 0.449322 -0.376589 0.016195 0.331027 -0.023678 7C 2dyz -0.070203 0.024803 -0.322460 0.175158 -0.015943 -0.263986 7C 2dx2y2 -0.055156 0.192599 0.286253 0.060412 -0.196087 0.260002 7C 2dxy 0.034128 0.296584 -0.059261 0.162042 0.015411 0.118080 7C 1f0 -0.014835 -0.029201 -0.007339 -0.010809 -0.024313 -0.003987 7C 1f+1 0.034037 0.021015 0.040754 0.016195 -0.018177 -0.015171 7C 1f-1 -0.049470 0.013935 0.021810 -0.011550 -0.004215 0.024788 7C 1f+2 -0.011205 -0.005044 -0.059153 -0.024065 -0.010606 0.001015 7C 1f-2 0.051696 0.051358 0.055091 0.027324 0.003161 -0.008136 7C 1f+3 -0.010493 0.021976 -0.008166 0.001931 0.011931 0.014140 7C 1f-3 -0.025263 -0.019598 -0.004996 -0.008140 -0.009885 0.008072 8C 1s 0.002830 -0.002108 -0.001574 0.000265 -0.001785 -0.005224 8C 2s -0.001972 0.004980 -0.004172 -0.012309 -0.001168 -0.012167 8C 3s 0.053357 -0.068982 0.061466 0.172291 -0.007477 0.085318 8C 4s -0.378461 0.371084 -0.239345 -0.528417 0.184583 0.230852 8C 5s 2.627425 -2.946874 2.021618 2.087041 -0.417925 -1.008879 8C 1pz 0.116981 -0.145307 -0.014918 -0.051944 0.024120 -0.114483 8C 1px 0.009434 0.060330 0.053663 0.036737 -0.015111 -0.009563 8C 1py -0.057553 0.070710 0.023669 -0.088483 0.072081 0.045203 8C 2pz 0.024950 0.092690 0.096710 0.296880 -0.217360 -0.065233 8C 2px 0.041876 -0.385952 -0.262558 0.288113 -0.105164 -0.202034 8C 2py -0.338744 0.270173 -0.033444 -0.301183 0.097524 0.310880 8C 3pz -0.261966 0.242331 -0.247402 -0.257178 0.019131 -0.052365 8C 3px -0.208508 0.394617 -0.028312 -0.237670 0.049662 0.178652 8C 3py 0.575671 -0.605586 0.507984 0.373440 -0.084392 -0.323407 8C 1dz2 -0.024380 0.004766 0.012138 -0.014177 0.013037 -0.016632 8C 1dxz 0.036540 -0.009902 -0.031771 0.018269 -0.019388 0.014229 8C 1dyz 0.000728 0.026889 0.008518 -0.007015 -0.009095 0.034958 8C 1dx2y2 0.019988 0.016660 0.018331 -0.030857 0.012056 0.027568 8C 1dxy -0.045390 -0.012428 0.006411 -0.014208 0.026114 -0.015592 8C 2dz2 0.084664 -0.055818 -0.065430 0.066897 -0.056901 -0.011455 8C 2dxz -0.234454 0.067485 0.125004 -0.035979 0.133192 -0.060447 8C 2dyz -0.100999 0.017159 0.032987 0.180203 -0.014364 -0.096838 8C 2dx2y2 0.071488 -0.076449 0.055054 -0.003120 0.018449 -0.161751 8C 2dxy 0.165968 -0.137196 -0.139705 0.136713 -0.135016 -0.077467 8C 1f0 -0.086294 0.087630 -0.021094 -0.044746 0.023322 0.064298 8C 1f+1 -0.019438 0.012229 -0.032118 0.030216 -0.002239 0.032042 8C 1f-1 -0.063477 0.052672 -0.007544 -0.071315 0.032252 0.012311 8C 1f+2 0.062763 -0.094446 -0.012903 0.119718 -0.031779 -0.034718 8C 1f-2 0.060405 -0.035674 0.022029 0.028986 -0.025111 -0.027092 8C 1f+3 0.011137 -0.012140 0.022837 0.026808 -0.008394 -0.012256 8C 1f-3 -0.034340 0.033383 0.027119 -0.077688 0.026460 -0.016035 9C 1s 0.000720 -0.002616 -0.002638 0.000812 0.000184 -0.003948 9C 2s -0.002911 0.000583 -0.000475 -0.010047 0.003442 -0.006205 9C 3s -0.013198 0.021959 -0.062940 0.175057 -0.050084 0.046165 9C 4s 0.132479 -0.058790 0.612134 -0.617683 0.139647 0.120948 9C 5s 1.132643 -1.795962 -3.707387 2.827895 -1.507720 -0.564888 9C 1pz 0.077709 -0.098745 -0.056970 0.049532 0.012212 -0.057471 9C 1px -0.098771 0.043068 0.020298 0.072813 0.017077 0.015356 9C 1py 0.018263 -0.051078 -0.086694 -0.003318 -0.061536 -0.086414 9C 2pz -0.113614 -0.044616 -0.426477 0.370715 -0.020618 -0.253537 9C 2px 0.374794 -0.115833 0.114449 0.123488 -0.161141 -0.159784 9C 2py 0.003462 0.017684 -0.096939 0.334686 0.136211 -0.101851 9C 3pz -0.196501 0.386132 0.815392 -0.515435 0.322633 0.102907 9C 3px -0.177703 0.058117 0.272489 -0.175083 -0.064526 0.184890 9C 3py -0.214194 0.290149 0.492075 -0.438551 0.157581 0.032758 9C 1dz2 0.020223 0.013840 0.016029 0.022336 0.013984 -0.014257 9C 1dxz -0.020107 -0.046730 0.008205 -0.000710 0.019090 -0.017478 9C 1dyz 0.011905 -0.017628 -0.013049 0.015119 -0.008058 -0.021762 9C 1dx2y2 -0.018087 0.016683 -0.016046 -0.009214 0.002831 0.024130 9C 1dxy -0.010225 -0.042122 -0.006794 -0.001026 -0.021988 -0.016589 9C 2dz2 0.036875 -0.062361 0.133413 -0.078488 -0.034063 0.064897 9C 2dxz -0.068758 0.267117 0.000409 0.054219 -0.005186 0.154548 9C 2dyz 0.017863 -0.087717 0.035176 -0.232495 -0.002988 0.095823 9C 2dx2y2 0.001853 -0.155121 -0.087095 -0.037946 0.022451 -0.028621 9C 2dxy -0.071116 0.186081 -0.057023 -0.061717 0.042358 0.068849 9C 1f0 -0.000085 0.002657 0.046398 -0.012745 -0.032327 -0.006759 9C 1f+1 0.019829 -0.001454 0.018815 0.046263 0.001364 0.005520 9C 1f-1 -0.012508 -0.018432 -0.073789 -0.000774 0.002274 -0.003540 9C 1f+2 0.021222 -0.047033 -0.085714 0.036836 -0.006352 -0.022958 9C 1f-2 -0.026864 0.071438 0.043895 -0.080895 0.004288 0.037354 9C 1f+3 0.050577 -0.070941 -0.089582 0.100831 -0.036668 -0.063749 9C 1f-3 0.019476 -0.024900 0.027485 0.062536 -0.011565 -0.017732 10H 1s -0.047277 0.086352 -0.285935 0.042351 0.037140 -0.007575 10H 2s 0.038815 -0.502658 0.657835 -0.100198 -0.060386 0.175201 10H 3s 0.171642 -0.104477 0.111130 -0.205871 -0.124356 0.118763 10H 1pz -0.051561 -0.030722 0.078089 -0.015079 0.047311 0.012970 10H 1px -0.056905 0.161675 -0.088822 -0.051026 0.016879 -0.051912 10H 1py -0.048838 0.021443 0.058063 0.018292 -0.036176 0.021926 11H 1s -0.076527 0.108437 -0.006822 0.208439 -0.013132 -0.062675 11H 2s 0.320344 -0.294275 0.042661 -0.553195 -0.174261 0.152228 11H 3s 0.053088 -0.107951 0.130124 -0.083704 -0.205655 -0.155485 11H 1pz 0.094951 -0.099810 -0.010347 -0.036046 -0.033070 0.046155 11H 1px -0.009950 0.041204 -0.042766 -0.121803 -0.040178 0.031471 11H 1py -0.027671 0.015236 -0.001152 0.031567 -0.028791 0.048704 12H 1s -0.109577 0.148969 -0.021578 0.170653 0.156966 -0.104201 12H 2s 0.339747 -0.195083 0.031622 -0.490383 -0.261998 0.257179 12H 3s -0.031428 -0.035011 0.210308 -0.054516 -0.100870 -0.125316 12H 1pz 0.028739 -0.045407 -0.066258 -0.027329 0.031722 0.010006 12H 1px -0.035972 0.084246 -0.063797 -0.131758 0.011475 0.026867 12H 1py 0.083766 -0.035816 -0.013741 -0.039092 -0.051857 0.056581 13H 1s -0.111882 0.112128 0.146768 -0.005927 0.017333 -0.133708 13H 2s 0.543052 -0.245677 -0.250309 -0.079949 -0.224692 0.163032 13H 3s 0.135179 -0.260971 -0.002323 -0.208954 -0.095700 0.026699 13H 1pz 0.116682 -0.053215 -0.027422 0.046549 0.013294 0.044157 13H 1px -0.119268 0.073935 -0.013251 -0.003002 0.048220 0.013344 13H 1py 0.003719 -0.071710 0.040296 0.027315 0.027724 0.023164 14H 1s -0.157053 0.183672 -0.056888 0.197019 0.095898 -0.015304 14H 2s 0.193290 -0.502905 0.098711 -0.544716 -0.245670 0.210211 14H 3s 0.079162 -0.025969 -0.292441 -0.009291 0.029619 0.036265 14H 1pz 0.085354 -0.139309 0.047983 0.018360 0.008235 0.064441 14H 1px -0.062684 -0.012529 0.015191 -0.133834 -0.075101 0.042548 14H 1py 0.020411 -0.016626 -0.069252 0.081803 0.069776 0.049914 15H 1s -0.069707 0.079989 -0.010927 0.247443 0.119745 0.035627 15H 2s 0.209252 -0.322696 0.073323 -0.581946 -0.206156 0.002246 15H 3s 0.105179 -0.108236 -0.129953 -0.022039 0.090514 -0.119219 15H 1pz 0.052520 -0.039120 0.007763 0.084985 0.011147 0.049616 15H 1px -0.032979 0.024251 0.004471 -0.064057 -0.030838 0.014271 15H 1py -0.066432 0.093505 -0.056113 0.077450 0.046106 -0.014199 16H 1s 0.065089 -0.068120 -0.183533 -0.104011 0.324383 -0.126554 16H 2s -0.215283 0.162774 0.591864 0.358722 -1.006647 0.412465 16H 3s 0.065586 -0.058065 -0.329907 -0.245056 0.386530 -0.157641 16H 1pz -0.065518 0.046906 0.208467 0.087684 -0.231042 0.058326 16H 1px 0.091388 -0.074291 -0.012411 0.033904 0.280917 -0.192971 16H 1py 0.000435 -0.010200 0.176895 0.055724 -0.031002 -0.032611 17H 1s 0.091542 -0.052903 0.064638 -0.044421 0.397656 -0.308364 17H 2s -0.228243 0.139484 -0.249426 0.167899 -1.292750 1.009146 17H 3s 0.126714 -0.086654 0.060613 0.007330 0.571444 -0.483612 17H 1pz 0.024290 -0.020022 0.162807 0.069336 0.115591 -0.132978 17H 1px 0.073274 -0.048016 0.088648 -0.159807 0.392850 -0.293676 17H 1py -0.016551 0.009992 -0.125100 -0.074468 -0.200314 0.204905 18H 1s -0.085185 0.048013 0.043156 -0.014255 -0.317105 -0.401341 18H 2s 0.206749 -0.121515 -0.174854 0.071308 1.034372 1.313106 18H 3s -0.118693 0.079831 0.035138 0.049877 -0.440369 -0.619955 18H 1pz 0.018090 -0.013186 -0.158399 -0.075438 0.091671 0.168441 18H 1px 0.065959 -0.041317 -0.063276 0.128326 0.327362 0.388228 18H 1py -0.009037 0.001965 0.114356 0.089443 -0.143056 -0.249147 19H 1s -0.071922 0.077626 -0.202742 -0.074637 -0.269239 -0.196916 19H 2s 0.238355 -0.194740 0.656924 0.267897 0.830790 0.626890 19H 3s -0.076824 0.074651 -0.355369 -0.204108 -0.319768 -0.240955 19H 1pz -0.078127 0.061737 -0.220576 -0.063684 -0.187941 -0.103240 19H 1px 0.090825 -0.072553 0.019871 -0.053226 0.218107 0.258611 19H 1py -0.009410 0.000734 -0.189304 -0.047974 -0.028262 0.030115 20H 1s 0.082935 -0.093062 -0.021787 0.253666 -0.099820 0.006363 20H 2s -0.241510 0.356112 0.102626 -0.592238 0.140382 0.052851 20H 3s -0.117477 0.120136 -0.120651 -0.019568 -0.043486 -0.134678 20H 1pz 0.048884 -0.033894 -0.011189 -0.085565 0.016178 -0.043890 20H 1px -0.029527 0.020848 -0.006466 0.069038 -0.016117 -0.019720 20H 1py -0.068633 0.096001 0.063561 -0.078374 0.030835 0.024818 21H 1s 0.168283 -0.193656 -0.077762 0.204255 -0.068228 -0.035953 21H 2s -0.229150 0.532462 0.140314 -0.557728 0.129518 0.259335 21H 3s -0.101934 0.047214 -0.289187 -0.009342 -0.021270 0.028120 21H 1pz 0.083697 -0.136693 -0.056273 -0.019834 0.020988 -0.060775 21H 1px -0.056156 -0.017941 -0.017122 0.138953 -0.045730 -0.058212 21H 1py 0.022313 -0.017530 0.069973 -0.084616 0.068546 -0.031141 22H 1s 0.127940 -0.125315 0.139692 -0.004968 0.004747 -0.136246 22H 2s -0.573172 0.270242 -0.208195 -0.097649 0.187442 0.214573 22H 3s -0.155295 0.279775 0.013940 -0.209722 0.067525 0.049555 22H 1pz 0.116400 -0.052064 0.019467 -0.046236 0.017978 -0.038921 22H 1px -0.119955 0.074372 0.021372 0.001917 0.051529 -0.000373 22H 1py 0.002225 -0.069827 -0.043183 -0.029030 0.030874 -0.014992 23H 1s 0.092998 -0.133477 -0.039402 0.181222 -0.104912 -0.134005 23H 2s -0.295985 0.162980 0.064771 -0.510472 0.144618 0.295320 23H 3s 0.050308 0.017645 0.215164 -0.068349 0.114736 -0.103045 23H 1pz 0.029760 -0.048417 0.060837 0.022264 0.030166 -0.002683 23H 1px -0.037414 0.082542 0.068467 0.129449 0.029175 -0.018228 23H 1py 0.078730 -0.032575 0.008023 0.045781 -0.035273 -0.066203 24H 1s 0.062424 -0.098975 -0.015034 0.206453 0.047586 -0.050551 24H 2s -0.280391 0.258786 0.079600 -0.564402 0.078506 0.178525 24H 3s -0.031962 0.088837 0.154063 -0.103599 0.224100 -0.096963 24H 1pz 0.091427 -0.095955 0.000853 0.036906 -0.020634 -0.052270 24H 1px -0.010968 0.042529 0.042927 0.125236 -0.018965 -0.038393 24H 1py -0.024565 0.013797 0.006309 -0.026547 -0.016235 -0.053270 25H 1s 0.025206 -0.065781 -0.295489 0.046966 -0.017221 -0.011287 25H 2s 0.009279 0.456815 0.686817 -0.103413 -0.038155 0.168585 25H 3s -0.142373 0.077218 0.133754 -0.214321 0.059076 0.130771 25H 1pz -0.052165 -0.030676 -0.077306 0.009101 0.057019 0.001800 25H 1px -0.050648 0.154832 0.098552 0.050461 0.003269 0.054094 25H 1py -0.048359 0.023460 -0.053527 -0.014528 -0.023453 -0.028991 26O 1s 0.000192 -0.000979 -0.001900 -0.003780 -0.000375 0.003731 26O 2s 0.002681 0.001670 -0.008187 -0.011470 0.000709 0.010462 26O 3s -0.047778 -0.091993 0.083835 0.055077 -0.035808 -0.020466 26O 4s 0.221796 0.565181 -0.310391 0.015268 0.280889 -0.246020 26O 5s -0.094577 0.116456 0.613680 -0.617638 -0.837353 0.015632 26O 1pz -0.028067 -0.013607 0.011859 -0.009563 0.009280 0.065633 26O 1px 0.074081 -0.010353 -0.048211 -0.023514 0.047152 0.006575 26O 1py 0.011851 -0.023004 -0.033624 -0.023337 -0.012492 0.059519 26O 2pz -0.040862 -0.018956 0.062352 0.093805 0.005611 -0.048612 26O 2px -0.146364 -0.266091 0.100456 0.107767 -0.087864 0.100522 26O 2py -0.085533 -0.104529 0.082231 0.105039 0.021220 -0.020049 26O 3pz 0.076164 0.187243 0.098429 -0.623442 0.021060 0.443348 26O 3px -0.030378 -0.047456 -0.475940 -0.166658 0.433828 0.133142 26O 3py 0.148823 -0.063947 -0.053178 -0.526652 0.012936 0.390478 26O 1dz2 0.003386 0.007007 -0.002921 -0.008765 0.003725 0.000314 26O 1dxz -0.004390 -0.009057 0.003211 0.002079 0.000709 -0.002208 26O 1dyz -0.000434 -0.002762 0.001077 -0.003694 -0.002330 0.002265 26O 1dx2y2 -0.004085 -0.002327 0.001676 0.001611 -0.001343 0.000124 26O 1dxy -0.008897 -0.007255 0.003393 0.005684 -0.003049 -0.000743 26O 2dz2 0.057056 -0.001485 -0.099349 -0.184064 0.073858 0.087465 26O 2dxz 0.031781 -0.128220 -0.122247 0.065719 -0.021630 -0.167164 26O 2dyz -0.008450 -0.101524 0.029050 -0.093297 -0.144850 0.068627 26O 2dx2y2 -0.097140 -0.025317 0.108484 0.069854 -0.067168 -0.001196 26O 2dxy -0.154399 -0.000401 0.059249 0.116402 -0.095102 -0.113960 26O 1f0 0.007680 -0.000341 -0.003904 -0.004831 -0.000140 0.001871 26O 1f+1 0.003157 0.007501 -0.002944 -0.002651 0.003135 -0.001750 26O 1f-1 -0.002041 0.000636 0.003210 0.002326 0.000790 -0.002621 26O 1f+2 -0.001805 0.002275 -0.001263 0.002437 -0.000471 -0.000511 26O 1f-2 -0.011486 -0.002751 0.009916 0.006071 -0.003040 -0.003060 26O 1f+3 -0.002216 0.004791 0.001537 0.000915 0.002609 -0.003097 26O 1f-3 0.011109 0.012878 -0.005576 -0.005592 0.003572 0.000667 27O 1s 0.000165 -0.000578 0.001866 -0.003436 -0.006197 0.001023 27O 2s -0.004299 -0.002329 0.007284 -0.010079 -0.016478 0.003509 27O 3s 0.103048 0.021046 -0.060934 0.041685 0.020311 -0.002979 27O 4s -0.565204 -0.036776 0.107124 0.037761 0.408352 -0.130027 27O 5s 0.180860 -0.223836 0.101245 -0.084079 0.448346 -0.180618 27O 1pz 0.045193 -0.008857 0.053009 -0.005762 -0.028494 -0.014745 27O 1px 0.003710 -0.062654 0.048522 -0.071467 0.021148 -0.036466 27O 1py -0.022338 -0.010027 0.003733 0.029741 0.026757 -0.043533 27O 2pz -0.042267 0.046943 -0.073736 0.057895 0.030796 0.033323 27O 2px 0.244165 0.119313 -0.121909 0.106650 -0.255800 0.138420 27O 2py -0.045539 -0.052182 0.054926 -0.115016 0.026764 -0.031766 27O 3pz 0.042279 -0.245966 0.228240 -0.270773 -0.247477 0.149985 27O 3px -0.088263 0.101768 0.150989 -0.503038 -0.595233 0.164455 27O 3py 0.143607 0.125209 -0.028642 0.599272 0.386750 -0.331865 27O 1dz2 -0.003907 -0.005351 0.002520 -0.002705 0.004485 0.002332 27O 1dxz 0.003470 0.000946 -0.002536 0.000775 -0.001567 -0.000342 27O 1dyz 0.000436 0.002933 0.001053 0.007218 -0.000194 0.003047 27O 1dx2y2 0.007248 0.004712 -0.004475 0.008854 -0.001640 0.002966 27O 1dxy -0.009454 -0.004738 0.001171 -0.003432 0.004924 0.002891 27O 2dz2 -0.041019 -0.093215 0.043308 -0.057064 0.023007 0.090991 27O 2dxz -0.043734 0.043877 -0.051208 0.001593 0.064441 -0.086532 27O 2dyz -0.063153 0.031839 0.005834 0.130609 0.076382 -0.015627 27O 2dx2y2 0.040159 0.090213 -0.108307 0.305830 0.118939 0.029972 27O 2dxy -0.127193 -0.006713 -0.054019 -0.073758 -0.066832 0.198338 27O 1f0 0.000283 -0.006362 0.003071 -0.006359 -0.001120 -0.000846 27O 1f+1 -0.008809 -0.008288 0.006029 -0.001876 0.008214 0.000486 27O 1f-1 0.003382 0.000968 -0.003665 0.001344 0.001552 -0.001084 27O 1f+2 -0.005073 0.001908 0.000736 -0.001700 0.005450 -0.006552 27O 1f-2 -0.003454 -0.005039 0.004881 -0.004129 0.001508 -0.002957 27O 1f+3 -0.007022 -0.000538 -0.000009 -0.002021 0.005242 -0.001279 27O 1f-3 0.007586 0.009606 -0.009316 0.009233 0.000443 -0.000058 28O 1s 0.003281 -0.004223 0.001997 -0.002043 0.003719 0.004378 28O 2s 0.005873 -0.013864 0.005487 -0.004812 0.010939 0.012981 28O 3s 0.040149 0.087034 0.015081 0.005372 -0.032884 -0.044540 28O 4s -0.415526 -0.178742 -0.320320 0.162062 -0.101383 -0.177558 28O 5s 0.295418 -0.470543 -0.086725 -0.936795 -0.951073 0.238191 28O 1pz 0.006008 -0.028225 0.019770 0.007800 -0.040240 0.006189 28O 1px 0.099630 -0.047902 -0.005805 -0.012053 -0.020864 0.069471 28O 1py 0.002970 0.019349 0.019273 0.034688 0.011140 0.024908 28O 2pz 0.177994 0.084538 0.060619 -0.010460 0.146326 0.095484 28O 2px -0.224512 -0.049511 -0.152748 -0.005752 -0.094811 -0.097608 28O 2py 0.052442 0.001711 -0.016569 -0.039516 -0.001576 0.028858 28O 3pz -0.206105 0.062330 0.766833 0.136183 0.522794 0.243759 28O 3px 0.059584 -0.336770 -0.104033 -0.225816 -0.553918 0.090845 28O 3py -0.118008 -0.087475 0.421969 0.117352 0.084972 0.189351 28O 1dz2 0.006282 0.001880 -0.004231 -0.000332 -0.000812 0.002722 28O 1dxz -0.014517 -0.003387 0.007764 0.003286 -0.003002 -0.005600 28O 1dyz 0.003724 -0.002546 -0.002600 -0.003248 0.000005 -0.000348 28O 1dx2y2 0.003406 0.001230 -0.001828 -0.001522 -0.000658 0.001345 28O 1dxy -0.004901 -0.004199 0.003822 0.001311 -0.002359 -0.003233 28O 2dz2 0.028964 0.105493 -0.093859 -0.073387 0.009312 -0.039978 28O 2dxz -0.241316 0.060257 0.332829 0.044332 0.092389 -0.046905 28O 2dyz 0.077373 0.002409 -0.057336 -0.128849 -0.004893 0.001519 28O 2dx2y2 0.106004 -0.038559 -0.080511 -0.036660 -0.073806 0.093884 28O 2dxy -0.041939 -0.007197 0.203125 0.030452 -0.016248 0.067897 28O 1f0 -0.005322 0.002407 -0.001213 -0.003818 0.000244 -0.002984 28O 1f+1 -0.012369 -0.004792 0.004294 0.000382 -0.002910 -0.000302 28O 1f-1 0.011598 0.002969 -0.001341 -0.005078 0.002327 0.005622 28O 1f+2 0.013450 -0.001288 0.000760 0.001926 0.003166 0.002524 28O 1f-2 -0.005571 -0.003016 0.002754 0.000531 0.001004 0.003203 28O 1f+3 0.007105 0.000481 0.002664 -0.002997 0.004949 0.003683 28O 1f-3 -0.002335 -0.001293 0.003373 -0.001641 -0.002143 0.000517 29O 1s 0.001406 0.000350 -0.005609 -0.012626 0.024334 -0.019594 29O 2s 0.006616 -0.000609 -0.018264 -0.041186 0.084877 -0.066736 29O 3s -0.086932 0.042933 0.114580 0.251139 -0.662211 0.483480 29O 4s 0.289475 -0.216644 -0.148647 -0.282507 1.308551 -0.845925 29O 5s -0.149258 0.189595 -0.112898 -0.344040 0.161972 -0.188703 29O 1pz 0.007330 -0.016575 -0.108285 -0.049026 0.043281 0.044827 29O 1px -0.044713 0.031198 -0.023307 -0.015936 -0.149267 0.114200 29O 1py 0.032982 -0.022043 -0.073029 -0.006322 0.171668 -0.096339 29O 2pz -0.019594 0.022299 0.482826 0.160848 -0.057687 -0.190893 29O 2px 0.082394 -0.045836 0.109426 -0.028189 0.499732 -0.418038 29O 2py -0.110767 0.078559 0.086356 0.063026 -0.543840 0.339255 29O 3pz -0.041480 0.035748 -0.146074 -0.123699 0.084582 -0.036259 29O 3px 0.003102 -0.050784 0.100784 0.226459 -0.470982 0.396804 29O 3py -0.005434 -0.018084 0.018341 0.105798 -0.178939 0.089555 29O 1dz2 -0.000511 -0.000387 0.004303 0.001610 -0.003980 0.002990 29O 1dxz 0.000661 -0.001313 -0.001883 0.003618 -0.009311 0.008547 29O 1dyz -0.000948 -0.000753 0.005651 0.002715 0.000057 -0.001996 29O 1dx2y2 0.000192 0.000806 -0.004899 -0.003794 0.012274 -0.009397 29O 1dxy 0.000665 -0.000368 0.004389 -0.002213 0.008356 -0.008870 29O 2dz2 0.005906 0.007671 -0.070282 -0.070599 0.029495 0.000192 29O 2dxz 0.056501 -0.063518 0.049601 0.089605 0.117068 -0.096988 29O 2dyz 0.007813 -0.013623 0.025564 0.097583 -0.061555 0.033971 29O 2dx2y2 -0.041458 0.043166 -0.046249 0.072407 0.043519 -0.057935 29O 2dxy 0.040879 -0.022002 -0.024982 -0.036128 0.189339 -0.136435 29O 1f0 -0.009130 0.007439 0.007766 0.008324 -0.040047 0.022761 29O 1f+1 0.004325 -0.003043 0.002663 -0.004066 0.019123 -0.012670 29O 1f-1 -0.008536 0.007283 0.022015 0.009893 -0.039460 0.016434 29O 1f+2 0.003390 -0.002957 -0.005873 -0.005483 0.009764 -0.003164 29O 1f-2 -0.007687 0.003862 -0.021284 0.002951 -0.038473 0.035005 29O 1f+3 0.001591 -0.001184 0.008307 -0.000173 0.006054 -0.005947 29O 1f-3 0.003328 -0.001681 0.005640 -0.000871 0.017636 -0.014570 30O 1s 0.003066 -0.002853 0.001713 -0.001750 -0.002471 0.001317 30O 2s 0.010490 -0.004464 0.004666 -0.004356 -0.007792 0.001313 30O 3s -0.068356 -0.051726 -0.025438 0.015427 0.045352 0.058527 30O 4s 0.126199 0.466924 -0.003214 0.054008 -0.089636 -0.444246 30O 5s 0.372361 -0.352525 0.478841 -0.684060 -0.026001 -0.085530 30O 1pz -0.023152 0.026444 -0.053892 0.020083 -0.027969 0.040136 30O 1px 0.023105 -0.099443 0.046901 0.000295 -0.010377 0.072386 30O 1py -0.020364 0.022973 -0.018291 -0.016332 0.064061 -0.051819 30O 2pz -0.028072 -0.164845 0.060822 -0.001109 0.060720 0.074616 30O 2px 0.038300 0.208287 0.005624 -0.055895 -0.044648 -0.193483 30O 2py 0.069109 0.141620 -0.015463 0.020778 -0.073581 -0.060476 30O 3pz -0.032955 0.133681 -0.553055 0.136606 -0.140155 0.309684 30O 3px 0.301471 -0.085837 0.262886 -0.109219 -0.155095 0.110439 30O 3py -0.054681 -0.168137 0.386605 -0.168981 0.262114 -0.297275 30O 1dz2 -0.002564 0.000473 0.000909 0.001133 0.000198 -0.002368 30O 1dxz 0.003679 0.007681 -0.006453 0.002872 -0.001814 0.000830 30O 1dyz 0.001400 0.009292 -0.007637 0.004151 0.001501 -0.002672 30O 1dx2y2 0.002054 0.003120 -0.000074 0.002982 0.002178 -0.002647 30O 1dxy -0.006076 -0.009570 0.004651 -0.002165 0.005626 0.002245 30O 2dz2 -0.020992 0.066309 0.009376 -0.012294 -0.012821 -0.139913 30O 2dxz -0.002185 0.130106 -0.244217 0.086017 -0.005994 0.084856 30O 2dyz 0.018744 0.141065 -0.189815 0.140800 -0.097634 0.036929 30O 2dx2y2 0.098983 -0.071370 0.059284 0.058831 -0.138541 0.121707 30O 2dxy -0.008457 -0.140915 0.159279 -0.018836 0.150624 -0.049127 30O 1f0 0.005200 0.013339 -0.005338 0.004744 -0.004149 -0.003066 30O 1f+1 0.003247 -0.000715 -0.000929 -0.000380 -0.001697 -0.001013 30O 1f-1 0.003036 0.004459 -0.001246 0.002249 -0.001975 -0.002015 30O 1f+2 0.002556 0.003800 -0.002710 0.004225 -0.002813 0.000621 30O 1f-2 -0.002887 -0.015098 0.005199 0.000891 0.004758 0.007422 30O 1f+3 0.004328 0.000351 -0.003176 -0.002753 -0.001814 -0.001354 30O 1f-3 0.002177 -0.009373 0.003462 0.002687 0.002505 0.006066 31O 1s -0.003097 0.002857 0.001940 -0.001778 0.001838 0.001773 31O 2s -0.010476 0.004398 0.005341 -0.004591 0.006607 0.002834 31O 3s 0.065849 0.053775 -0.028936 0.019454 -0.055078 0.047305 31O 4s -0.107963 -0.479160 0.003249 0.030340 0.199733 -0.409338 31O 5s -0.396812 0.367745 0.493851 -0.644464 -0.063474 -0.040590 31O 1pz -0.020780 0.024420 0.054087 -0.017664 -0.019857 -0.046048 31O 1px 0.022599 -0.098034 -0.049010 -0.003622 0.009423 -0.073819 31O 1py -0.020925 0.023038 0.022085 0.013444 0.047991 0.067040 31O 2pz -0.026645 -0.165515 -0.061185 -0.005421 0.076996 -0.054018 31O 2px 0.034809 0.209907 -0.007732 0.065070 -0.081957 0.175580 31O 2py 0.066341 0.143747 0.012892 -0.014767 -0.084296 0.035807 31O 3pz -0.012612 0.116102 0.555379 -0.121993 -0.098465 -0.324579 31O 3px 0.306796 -0.084560 -0.276190 0.099376 -0.088925 -0.162966 31O 3py -0.075302 -0.150356 -0.392143 0.151625 0.213028 0.346953 31O 1dz2 0.002725 -0.000616 0.000836 0.001038 0.000571 -0.002399 31O 1dxz -0.003763 -0.007607 -0.006470 0.002647 0.002159 0.001290 31O 1dyz -0.001416 -0.009256 -0.007859 0.003928 -0.000112 -0.002977 31O 1dx2y2 -0.002060 -0.003112 -0.000247 0.003092 -0.001220 -0.003140 31O 1dxy 0.006176 0.009452 0.004556 -0.001702 -0.006270 0.000664 31O 2dz2 0.028736 -0.071160 0.008422 -0.017396 0.049690 -0.133247 31O 2dxz -0.008378 -0.120912 -0.247002 0.080889 0.003289 0.080518 31O 2dyz -0.019526 -0.139850 -0.184733 0.126864 0.106600 0.058546 31O 2dx2y2 -0.096644 0.067500 0.068149 0.053366 0.104934 0.153468 31O 2dxy 0.020730 0.129052 0.161778 -0.007483 -0.139404 -0.085499 31O 1f0 0.005117 0.013396 0.005220 -0.004189 -0.005172 0.001795 31O 1f+1 0.003428 -0.000829 0.000701 0.000594 -0.001773 0.000562 31O 1f-1 0.003000 0.004498 0.001242 -0.001974 -0.002582 0.001369 31O 1f+2 0.002516 0.003835 0.002508 -0.003961 -0.003036 -0.001398 31O 1f-2 -0.002944 -0.015013 -0.005187 -0.001600 0.006296 -0.005963 31O 1f+3 0.004488 0.000168 0.002782 0.003043 -0.001976 0.000889 31O 1f-3 0.001812 -0.008952 -0.003749 -0.002977 0.003629 -0.005218 32O 1s -0.001362 -0.000162 -0.007167 -0.010877 -0.019150 -0.025070 32O 2s -0.006505 0.001252 -0.023633 -0.034975 -0.066992 -0.085840 32O 3s 0.087188 -0.047774 0.155288 0.200048 0.526576 0.632702 32O 4s -0.292131 0.224702 -0.222936 -0.174866 -1.050740 -1.141965 32O 5s 0.147588 -0.182258 -0.140137 -0.334541 -0.137643 -0.222486 32O 1pz 0.011051 -0.021393 0.109145 0.043585 0.040585 -0.040338 32O 1px -0.043040 0.029556 0.015584 0.027243 -0.117301 -0.148514 32O 1py 0.031569 -0.022392 0.084554 -0.008142 0.136839 0.134818 32O 2pz -0.041789 0.048952 -0.489290 -0.145303 -0.051211 0.203161 32O 2px 0.075345 -0.039639 -0.078001 -0.008380 0.392972 0.536366 32O 2py -0.109428 0.080354 -0.128745 -0.019733 -0.434785 -0.456814 32O 3pz -0.034591 0.027147 0.154155 0.112682 0.067028 0.052831 32O 3px 0.003491 -0.047383 -0.131854 -0.189518 -0.369043 -0.505076 32O 3py -0.004397 -0.018477 -0.032798 -0.093691 -0.157734 -0.128959 32O 1dz2 0.000797 0.000056 0.004283 0.001106 0.002783 0.003912 32O 1dxz -0.000875 0.001474 -0.001398 0.002892 0.007326 0.011026 32O 1dyz 0.001302 0.000353 0.005886 0.002607 -0.000083 -0.002343 32O 1dx2y2 -0.000295 -0.000602 -0.005988 -0.002892 -0.009270 -0.011968 32O 1dxy -0.000554 0.000250 0.003628 -0.001636 -0.006280 -0.010667 32O 2dz2 -0.007015 -0.005950 -0.074967 -0.066660 -0.030841 -0.008815 32O 2dxz -0.053015 0.058364 0.055119 0.096350 -0.083392 -0.123114 32O 2dyz -0.008220 0.012838 0.030535 0.089741 0.054248 0.044429 32O 2dx2y2 0.041359 -0.041851 -0.050422 0.075225 -0.017193 -0.065041 32O 2dxy -0.041480 0.022686 -0.032794 -0.017235 -0.150166 -0.182748 32O 1f0 -0.008870 0.007437 -0.008814 -0.004557 -0.030582 -0.030020 32O 1f+1 0.004489 -0.003124 -0.001919 0.002743 0.017471 0.019291 32O 1f-1 -0.009979 0.008914 -0.024661 -0.006256 -0.033680 -0.026521 32O 1f+2 0.004294 -0.003799 0.007035 0.004730 0.010239 0.007068 32O 1f-2 -0.006248 0.002494 0.019527 -0.000001 -0.029824 -0.043668 32O 1f+3 0.001068 -0.000713 -0.007473 -0.000200 0.004086 0.006013 32O 1f-3 0.002601 -0.001002 -0.005069 -0.000567 0.013884 0.018743 33O 1s -0.003044 0.004019 0.002016 -0.001693 -0.004903 0.003084 33O 2s -0.005310 0.013353 0.005469 -0.003790 -0.014409 0.009216 33O 3s -0.039073 -0.087707 0.015237 0.002392 0.043140 -0.033862 33O 4s 0.387741 0.202947 -0.318580 0.150162 0.169390 -0.132735 33O 5s -0.252097 0.433416 0.014862 -0.995442 0.786793 0.466011 33O 1pz 0.005477 -0.027036 -0.026350 -0.004653 -0.037106 -0.014067 33O 1px 0.096942 -0.044932 -0.001823 0.012536 -0.004925 -0.070817 33O 1py 0.003338 0.018011 -0.018157 -0.034656 0.013956 -0.020732 33O 2pz 0.169969 0.090771 -0.049320 -0.001071 0.169204 -0.052337 33O 2px -0.214110 -0.059565 0.150316 0.014303 -0.120647 0.064987 33O 2py 0.051018 0.003738 0.016684 0.038313 0.010073 -0.028218 33O 3pz -0.225734 0.083957 -0.725676 -0.181436 0.606010 -0.088908 33O 3px 0.044253 -0.321066 0.041056 0.262691 -0.503107 -0.227719 33O 3py -0.135536 -0.068191 -0.417794 -0.124300 0.145463 -0.147501 33O 1dz2 -0.006216 -0.001831 -0.004159 -0.000211 0.000546 0.002948 33O 1dxz 0.014467 0.003362 0.007768 0.003027 0.003945 -0.004695 33O 1dyz -0.003630 0.002562 -0.002181 -0.003239 0.000352 -0.000438 33O 1dx2y2 -0.003286 -0.001313 -0.001773 -0.001479 0.000232 0.001497 33O 1dxy 0.005034 0.004048 0.004030 0.001123 0.002850 -0.002574 33O 2dz2 -0.031857 -0.099149 -0.105254 -0.071095 0.001915 -0.034585 33O 2dxz 0.249466 -0.068714 0.319708 0.051520 -0.100412 -0.077879 33O 2dyz -0.069690 -0.008549 -0.051060 -0.127639 -0.000550 0.002038 33O 2dx2y2 -0.105133 0.038600 -0.068444 -0.039354 0.052718 0.108804 33O 2dxy 0.051091 -0.002217 0.202368 0.028864 -0.013180 0.062189 33O 1f0 -0.005287 0.002249 0.001337 0.003840 -0.000200 0.003163 33O 1f+1 -0.012237 -0.004792 -0.004340 -0.000195 -0.002170 -0.000364 33O 1f-1 0.011213 0.003312 0.001369 0.004876 0.004139 -0.004717 33O 1f+2 0.013182 -0.001075 -0.000912 -0.002212 0.003136 -0.001729 33O 1f-2 -0.005563 -0.003013 -0.002640 -0.000678 0.001962 -0.002831 33O 1f+3 0.006909 0.000545 -0.002552 0.002539 0.005973 -0.002242 33O 1f-3 -0.002695 -0.000946 -0.003464 0.001797 -0.001440 -0.000871 34O 1s -0.000211 0.000600 0.002341 -0.003921 0.005218 0.002363 34O 2s 0.004212 0.002351 0.008363 -0.011324 0.013445 0.006980 34O 3s -0.103982 -0.020173 -0.058889 0.042487 -0.010911 -0.005897 34O 4s 0.574074 0.031822 0.056663 0.073276 -0.360020 -0.225175 34O 5s -0.181935 0.219729 0.096738 -0.057530 -0.406660 -0.253404 34O 1pz 0.043110 -0.006858 -0.056090 0.007746 -0.026339 0.007936 34O 1px 0.003963 -0.063581 -0.048817 0.067886 0.018013 0.041342 34O 1py -0.023083 -0.009635 -0.002568 -0.030491 0.009933 0.047944 34O 2pz -0.041166 0.045963 0.080003 -0.059388 0.027315 -0.025584 34O 2px 0.247357 0.118701 0.098006 -0.083298 -0.226411 -0.193717 34O 2py -0.046330 -0.052529 -0.051506 0.110721 0.032795 0.036527 34O 3pz 0.058747 -0.258423 -0.254819 0.282425 -0.156217 -0.202522 34O 3px -0.068503 0.079642 -0.179632 0.543302 -0.467685 -0.273382 34O 3py 0.104492 0.161059 0.043787 -0.622646 0.217009 0.406930 34O 1dz2 0.003909 0.005354 0.002375 -0.002171 -0.005302 0.001003 34O 1dxz -0.003428 -0.000926 -0.002219 0.000640 0.001740 0.000052 34O 1dyz -0.000293 -0.003113 0.000894 0.007144 0.000170 0.003040 34O 1dx2y2 -0.007157 -0.004864 -0.003927 0.008481 0.001873 0.003270 34O 1dxy 0.009292 0.004894 0.000574 -0.002929 -0.005658 0.001549 34O 2dz2 0.036626 0.096811 0.044398 -0.050755 -0.052057 0.077086 34O 2dxz 0.042654 -0.041364 -0.052424 0.002585 -0.036585 -0.100109 34O 2dyz 0.073886 -0.040854 -0.004451 0.136878 -0.054568 -0.032946 34O 2dx2y2 -0.030878 -0.100579 -0.111025 0.308323 -0.091629 0.004245 34O 2dxy 0.115911 0.016433 -0.062766 -0.072032 0.008631 0.207822 34O 1f0 0.000380 -0.006446 -0.003366 0.006266 -0.000632 0.000528 34O 1f+1 -0.008672 -0.008379 -0.005217 0.000993 0.008449 0.001492 34O 1f-1 0.003461 0.000907 0.003504 -0.001375 0.000931 0.001449 34O 1f+2 -0.005262 0.001997 0.000050 0.001223 0.003811 0.007642 34O 1f-2 -0.003781 -0.004787 -0.004884 0.003839 0.001341 0.003222 34O 1f+3 -0.006914 -0.000680 0.000788 0.001379 0.004779 0.002469 34O 1f-3 0.007446 0.009787 0.009116 -0.008851 -0.000935 0.000213 35O 1s -0.000185 0.001003 -0.001869 -0.003767 -0.000808 0.003559 35O 2s -0.002736 -0.001504 -0.008338 -0.011298 -0.003745 0.009558 35O 3s 0.049777 0.089106 0.089206 0.051765 0.036849 -0.010666 35O 4s -0.236939 -0.547638 -0.345847 0.037909 -0.176311 -0.297309 35O 5s 0.132171 -0.151630 0.646952 -0.681028 0.719960 0.241017 35O 1pz -0.026698 -0.014729 -0.009087 0.007711 0.030848 -0.057782 35O 1px 0.073139 -0.010829 0.048965 0.018871 0.044791 0.004729 35O 1py 0.012564 -0.022828 0.031059 0.022427 0.005706 -0.059231 35O 2pz -0.041800 -0.017088 -0.062523 -0.092378 -0.014440 0.046227 35O 2px -0.147513 -0.262278 -0.113432 -0.098631 -0.058193 -0.114051 35O 2py -0.086899 -0.102832 -0.083654 -0.103850 0.009608 0.025030 35O 3pz 0.043417 0.213156 -0.089772 0.613164 0.211798 -0.395160 35O 3px -0.021810 -0.061513 0.500440 0.130503 0.453409 -0.006374 35O 3py 0.124589 -0.042341 0.045374 0.519822 0.173997 -0.344760 35O 1dz2 -0.003331 -0.006975 -0.003195 -0.008324 -0.004446 -0.000888 35O 1dxz 0.004309 0.009055 0.003527 0.002182 -0.000284 -0.002246 35O 1dyz 0.000387 0.002781 0.001259 -0.003793 0.000847 0.002555 35O 1dx2y2 0.004121 0.002237 0.001753 0.001506 0.001433 0.000597 35O 1dxy 0.008695 0.007399 0.003598 0.005400 0.003246 0.000201 35O 2dz2 -0.048245 -0.004138 -0.096891 -0.174424 -0.106237 0.058541 35O 2dxz -0.038055 0.133725 -0.113318 0.061466 0.080926 -0.144028 35O 2dyz 0.015133 0.095220 0.039303 -0.104812 0.108798 0.100866 35O 2dx2y2 0.097504 0.020800 0.114081 0.064168 0.063425 0.016183 35O 2dxy 0.145440 0.009359 0.057305 0.105889 0.128667 -0.077370 35O 1f0 0.007480 -0.000256 0.003606 0.004774 0.000355 -0.001751 35O 1f+1 0.002911 0.007631 0.003205 0.002303 0.002466 0.002538 35O 1f-1 -0.002200 0.000799 -0.003119 -0.002344 -0.000130 0.002688 35O 1f+2 -0.001400 0.001972 0.001574 -0.002444 -0.000615 0.000259 35O 1f-2 -0.011525 -0.002576 -0.009580 -0.005671 -0.003538 0.002124 35O 1f+3 -0.002064 0.004614 -0.001236 -0.001144 0.001600 0.003606 35O 1f-3 0.010920 0.012939 0.006032 0.005183 0.003480 0.000234 414 415 416 417 418 419 2.27725 2.27862 2.28187 2.30196 2.31588 2.31787 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s 0.000803 -0.000687 0.000221 -0.001150 -0.000244 -0.000107 0Rh 2s -0.005220 -0.002348 -0.001079 0.005829 0.001921 0.002043 0Rh 3s 0.001550 -0.005478 0.000645 -0.003226 -0.000267 0.000612 0Rh 4s 0.026620 0.012646 0.005433 -0.029512 -0.009806 -0.010681 0Rh 5s -0.047305 -0.058749 -0.007147 0.042528 0.018710 0.028162 0Rh 6s 0.023463 0.184929 -0.008340 0.024063 -0.013720 -0.060948 0Rh 7s -0.092486 -1.300829 0.103342 -0.249860 0.055076 0.690639 0Rh 8s 0.295293 0.292390 -0.198277 -0.025353 -0.095004 -0.158854 0Rh 1pz -0.004063 0.001972 -0.007398 -0.002555 0.004261 -0.013259 0Rh 1px 0.002527 -0.012723 0.002949 0.001269 0.004580 0.004523 0Rh 1py 0.007167 -0.001110 -0.004110 -0.006740 -0.007501 -0.000740 0Rh 2pz 0.013645 -0.007382 0.024392 0.008933 -0.015164 0.046575 0Rh 2px -0.010141 0.044222 -0.011155 -0.004541 -0.016255 -0.016002 0Rh 2py -0.023637 0.003724 0.013402 0.023386 0.026357 0.002862 0Rh 3pz 0.005903 0.014227 0.020692 -0.003927 0.012401 -0.025826 0Rh 3px 0.032574 -0.015404 0.023295 0.004359 0.012523 0.011246 0Rh 3py -0.019925 0.001443 0.014629 -0.006820 -0.014810 -0.007052 0Rh 4pz -0.120956 -0.009252 -0.258701 -0.046595 0.056133 -0.215716 0Rh 4px -0.064643 -0.242583 -0.019499 0.012094 0.061385 0.067318 0Rh 4py 0.250192 -0.030703 -0.155188 -0.133987 -0.120891 0.008199 0Rh 5pz 0.235872 0.023966 0.500953 0.092089 -0.119849 0.397303 0Rh 5px 0.121364 0.471898 0.039089 -0.010011 -0.115676 -0.151932 0Rh 5py -0.486381 0.051354 0.298666 0.248084 0.217638 -0.008848 0Rh 6pz -0.063195 -0.437725 -0.190162 -0.178367 0.177210 0.325707 0Rh 6px -0.097572 -0.892302 -0.132121 -0.255666 -0.017258 0.558452 0Rh 6py 0.336305 0.173809 -0.041346 0.039669 0.350946 -0.042443 0Rh 1dz2 0.003525 -0.022365 -0.004030 -0.009151 0.005842 -0.006339 0Rh 1dxz 0.001438 0.021937 0.002096 0.019211 -0.003301 0.009320 0Rh 1dyz 0.001183 0.009308 -0.004002 -0.006473 -0.002310 -0.003048 0Rh 1dx2y2 0.013161 0.021642 -0.002579 -0.005486 -0.004702 0.005148 0Rh 1dxy -0.004586 -0.012305 0.006049 0.020725 0.010022 0.001570 0Rh 2dz2 -0.002042 0.000181 -0.001202 0.002997 0.001035 0.001311 0Rh 2dxz 0.001098 -0.000154 0.003199 -0.001788 0.000797 0.001778 0Rh 2dyz -0.000120 -0.003025 0.000186 0.008386 -0.002595 0.001346 0Rh 2dx2y2 0.000826 -0.002281 0.000081 0.000978 0.001024 -0.001189 0Rh 2dxy -0.003146 -0.000346 0.001984 0.002639 -0.000097 -0.000251 0Rh 3dz2 -0.000454 0.059177 0.015944 0.011018 -0.020160 0.011431 0Rh 3dxz -0.008523 -0.058660 -0.019468 -0.044269 0.005517 -0.032972 0Rh 3dyz -0.002292 -0.011554 0.009690 -0.020285 0.017747 0.002154 0Rh 3dx2y2 -0.039051 -0.047642 0.006549 0.010534 0.008361 -0.008879 0Rh 3dxy 0.025993 0.034936 -0.024982 -0.067966 -0.026674 -0.003283 0Rh 4dz2 -0.029590 0.008324 -0.012166 0.049962 0.010684 0.018338 0Rh 4dxz 0.012525 -0.001417 0.040272 -0.024695 0.010153 0.021968 0Rh 4dyz -0.008245 -0.045847 0.009096 0.129131 -0.036324 0.021747 0Rh 4dx2y2 0.009422 -0.042113 0.001778 0.013943 0.012664 -0.014395 0Rh 4dxy -0.040115 -0.007073 0.026152 0.038471 -0.003174 -0.001763 0Rh 5dz2 0.125258 -0.174268 -0.035645 -0.243677 0.011875 -0.077973 0Rh 5dxz -0.031820 0.068009 -0.098176 0.171881 -0.036111 -0.001439 0Rh 5dyz 0.114733 0.196301 -0.152410 -0.503673 0.101200 -0.102021 0Rh 5dx2y2 0.051675 0.321777 -0.018787 -0.074406 -0.058166 0.033872 0Rh 5dxy 0.101709 -0.004626 -0.069338 -0.045505 0.058711 -0.006265 0Rh 1f0 -0.047641 -0.028508 -0.048306 0.019521 0.041005 -0.047951 0Rh 1f+1 0.023292 0.142526 0.077551 0.135414 -0.050911 0.019821 0Rh 1f-1 -0.001533 0.074685 -0.009194 0.088116 0.141979 0.080439 0Rh 1f+2 0.031589 0.000732 -0.018447 0.014119 0.048881 -0.270760 0Rh 1f-2 -0.043200 -0.020983 0.072528 0.229784 0.096405 -0.015180 0Rh 1f+3 0.101984 0.188786 0.039865 -0.015731 -0.019957 0.018087 0Rh 1f-3 0.050460 0.014961 0.007508 0.041603 0.060869 -0.038941 1Rh 1s -0.000822 -0.000575 -0.000190 -0.001146 -0.000314 -0.000368 1Rh 2s 0.004812 -0.003028 0.001907 0.005779 0.002484 0.003980 1Rh 3s -0.001911 -0.005233 0.000044 -0.003229 -0.000336 0.000254 1Rh 4s -0.024491 0.016094 -0.009751 -0.029258 -0.012693 -0.020579 1Rh 5s 0.040689 -0.064392 0.020259 0.042026 0.024429 0.046668 1Rh 6s -0.007963 0.185270 -0.021450 0.024399 -0.018739 -0.072465 1Rh 7s -0.019084 -1.291855 0.102681 -0.249544 0.078807 0.725899 1Rh 8s -0.272733 0.360699 0.136904 -0.024112 -0.131451 -0.251106 1Rh 1pz -0.004395 -0.002552 -0.007060 0.002677 -0.005144 0.011828 1Rh 1px 0.003831 0.013040 0.000808 -0.001360 -0.003391 -0.001700 1Rh 1py 0.007149 -0.000195 -0.004407 0.006885 0.007889 0.001518 1Rh 2pz 0.014850 0.009247 0.023143 -0.009347 0.018372 -0.041339 1Rh 2px -0.014681 -0.045366 -0.003709 0.004875 0.011919 0.005730 1Rh 2py -0.023578 0.000555 0.014445 -0.023856 -0.027683 -0.005563 1Rh 3pz 0.004381 -0.011507 0.022770 0.003888 -0.016469 0.018553 1Rh 3px 0.034341 0.016722 0.020591 -0.004827 -0.006810 0.001945 1Rh 3py -0.019801 0.002707 0.014022 0.006246 0.014714 0.007841 1Rh 4pz -0.122912 -0.015415 -0.258775 0.049644 -0.061704 0.209258 1Rh 4px -0.040538 0.245142 -0.059839 -0.012493 -0.054680 -0.049992 1Rh 4py 0.249112 -0.016699 -0.159645 0.139715 0.130751 0.007685 1Rh 5pz 0.238941 0.024111 0.501297 -0.097918 0.130345 -0.385358 1Rh 5px 0.074652 -0.477015 0.116828 0.010689 0.102381 0.118305 1Rh 5py -0.483484 0.039722 0.305459 -0.259228 -0.237298 -0.022536 1Rh 6pz -0.004700 0.420627 -0.229704 0.175848 -0.109493 -0.221835 1Rh 6px -0.011581 0.894078 -0.264910 0.261651 0.023132 -0.586614 1Rh 6py 0.312814 -0.175544 0.010032 -0.025559 -0.341644 0.034502 1Rh 1dz2 -0.005582 -0.021303 0.007063 -0.009615 0.005864 -0.005807 1Rh 1dxz 0.000178 0.021418 -0.004503 0.019308 -0.003183 0.010734 1Rh 1dyz -0.000254 0.009978 0.002392 -0.006857 0.000422 0.000083 1Rh 1dx2y2 -0.010869 0.023191 -0.001104 -0.005632 -0.006882 0.000298 1Rh 1dxy 0.002867 -0.013659 -0.003375 0.020893 0.010174 0.001336 1Rh 2dz2 0.002016 0.000218 0.001163 0.003048 0.000433 0.000455 1Rh 2dxz -0.001126 -0.000462 -0.003257 -0.001736 0.000884 0.001661 1Rh 2dyz -0.000288 -0.002968 0.000327 0.008555 -0.004277 -0.000603 1Rh 2dx2y2 -0.001070 -0.002280 0.000273 0.000948 0.001127 -0.000673 1Rh 2dxy 0.003063 -0.000987 -0.001942 0.002744 -0.000474 -0.000449 1Rh 3dz2 0.006096 0.056183 -0.023918 0.012026 -0.017451 0.013900 1Rh 3dxz 0.004272 -0.055943 0.026244 -0.044756 0.004821 -0.036271 1Rh 3dyz 0.001627 -0.013545 -0.007644 -0.020029 0.017963 0.002474 1Rh 3dx2y2 0.034001 -0.051802 0.001733 0.011060 0.013860 0.002015 1Rh 3dxy -0.020973 0.041379 0.017551 -0.068891 -0.025340 -0.001685 1Rh 4dz2 0.029581 0.008190 0.010950 0.051114 0.000383 0.003981 1Rh 4dxz -0.012805 -0.004990 -0.041306 -0.023994 0.011208 0.019626 1Rh 4dyz 0.001951 -0.046501 -0.001294 0.132164 -0.063250 -0.009018 1Rh 4dx2y2 -0.013696 -0.042616 0.004730 0.013578 0.013726 -0.006775 1Rh 4dxy 0.038829 -0.015412 -0.025363 0.040039 -0.009711 -0.005699 1Rh 5dz2 -0.137589 -0.160963 0.059582 -0.254244 0.066658 -0.000133 1Rh 5dxz 0.036482 0.071033 0.097906 0.169944 -0.037334 0.023435 1Rh 5dyz -0.087627 0.223651 0.117573 -0.523732 0.233554 0.044900 1Rh 5dx2y2 -0.019762 0.335461 -0.034100 -0.074300 -0.071563 -0.026442 1Rh 5dxy -0.102608 0.016934 0.074798 -0.051580 0.090786 0.011455 1Rh 1f0 -0.047100 0.024362 -0.052885 -0.018758 -0.058017 0.018776 1Rh 1f+1 0.013084 -0.129959 0.093983 -0.139014 0.067290 0.010548 1Rh 1f-1 -0.006785 -0.073446 0.007084 -0.085537 -0.144840 -0.077981 1Rh 1f+2 0.030982 -0.004903 -0.021700 -0.015455 -0.048191 0.290785 1Rh 1f-2 -0.037315 0.034820 0.068914 -0.233871 -0.071365 0.049624 1Rh 1f+3 0.085664 -0.186338 0.067163 0.014811 0.036954 0.022755 1Rh 1f-3 0.051706 -0.018507 0.008284 -0.040133 -0.055535 0.059597 2C 1s 0.001502 -0.003281 -0.006417 0.001786 0.000808 0.002244 2C 2s -0.001618 -0.004852 -0.010388 0.011195 0.001977 0.011633 2C 3s 0.078636 -0.016315 -0.098811 -0.165040 -0.012444 -0.069301 2C 4s -0.490759 0.388114 1.360211 0.343908 0.044023 -0.088537 2C 5s 1.863299 -0.800036 -2.599299 0.123185 -0.688284 -0.697056 2C 1pz -0.008677 0.050569 0.121543 -0.041419 -0.048662 -0.051152 2C 1px 0.009413 0.079599 0.062521 0.186304 0.013415 0.083650 2C 1py -0.072605 0.018286 0.062816 -0.051948 0.072579 0.089430 2C 2pz -0.300754 0.381139 0.836220 0.252322 0.239232 0.124333 2C 2px -0.137646 -0.269349 0.011424 -0.437141 0.005194 -0.157675 2C 2py -0.114099 0.259254 0.610826 0.214126 -0.417201 -0.420367 2C 3pz 0.311012 -0.166438 -0.387642 0.036376 -0.101754 -0.084141 2C 3px 0.152894 -0.068020 -0.399345 0.200953 0.005055 0.099628 2C 3py 0.247635 -0.044328 -0.211573 0.051809 -0.168830 -0.091832 2C 1dz2 0.006943 -0.007304 -0.030902 -0.004982 0.082256 0.066152 2C 1dxz 0.004517 -0.053022 -0.022421 -0.086474 0.026378 -0.041039 2C 1dyz 0.013320 -0.015060 -0.019146 0.012525 -0.015186 -0.005977 2C 1dx2y2 -0.009444 -0.006016 -0.000302 -0.006324 0.069708 0.068917 2C 1dxy 0.001888 -0.009480 0.017381 -0.025345 -0.067535 -0.104385 2C 2dz2 -0.090385 0.151689 0.313180 0.075968 -0.157998 -0.223857 2C 2dxz -0.125046 0.055408 0.044315 0.055319 -0.085168 0.101005 2C 2dyz -0.103346 0.109646 0.347578 0.078131 -0.007468 -0.039279 2C 2dx2y2 -0.023696 -0.059244 -0.039862 0.064674 -0.165424 -0.151626 2C 2dxy 0.025973 -0.004543 -0.010747 0.026967 0.274110 0.273991 2C 1f0 0.002998 -0.030952 -0.040432 -0.011092 0.094728 0.107768 2C 1f+1 -0.002388 0.004247 0.030465 0.029518 -0.022701 -0.014888 2C 1f-1 -0.005291 0.030489 0.062982 -0.012890 -0.009489 -0.052108 2C 1f+2 -0.019904 0.027856 0.036860 -0.020195 0.019206 -0.013048 2C 1f-2 0.027218 -0.050500 -0.065790 -0.076360 0.021184 -0.041975 2C 1f+3 -0.069638 0.030789 0.082832 0.006872 0.035281 0.066427 2C 1f-3 -0.016670 0.010168 0.024994 0.062874 -0.014284 0.047501 3C 1s -0.006295 -0.002226 -0.000545 -0.001604 -0.000151 0.001219 3C 2s -0.008995 -0.001417 0.001267 -0.009138 -0.001015 0.005290 3C 3s -0.094675 -0.052537 -0.044024 0.098801 0.031081 -0.006429 3C 4s 1.272034 0.339468 0.282716 -0.134632 -0.222383 -0.157736 3C 5s -2.777029 -0.764978 -1.039920 -0.459609 1.117408 -0.857856 3C 1pz 0.047657 -0.071214 0.030732 0.096146 -0.070532 0.042835 3C 1px 0.119483 0.114143 -0.013983 -0.077922 -0.092051 0.089431 3C 1py -0.114228 -0.034706 -0.027314 0.018002 -0.070749 0.032383 3C 2pz 0.535495 0.439999 0.023020 -0.247627 0.271808 -0.103146 3C 2px 0.157445 -0.325868 0.205877 0.184945 0.334167 -0.318218 3C 2py -0.824060 -0.324236 -0.096126 0.077127 0.413354 0.066823 3C 3pz -0.042063 -0.085092 -0.135162 -0.030850 0.143711 -0.111572 3C 3px -0.291875 0.010005 -0.063392 -0.131571 0.175905 -0.006995 3C 3py 0.554451 0.190548 0.155132 0.139744 -0.186659 0.186707 3C 1dz2 -0.001415 0.018913 -0.004032 -0.031087 0.012843 0.025758 3C 1dxz 0.001765 -0.010148 0.011784 0.033054 0.121808 -0.067620 3C 1dyz 0.015421 -0.017918 0.003328 0.040053 -0.017119 -0.019323 3C 1dx2y2 0.039159 0.010532 0.019223 -0.012821 0.111268 -0.046473 3C 1dxy 0.017570 0.055015 0.000412 -0.057088 -0.017269 0.031032 3C 2dz2 -0.084199 -0.046213 -0.021914 0.117386 0.057058 0.072818 3C 2dxz -0.068344 -0.005174 -0.019369 -0.063198 -0.355170 0.160168 3C 2dyz -0.343703 -0.130170 0.014718 -0.029566 0.059649 0.139728 3C 2dx2y2 -0.293259 -0.151917 -0.063446 0.009774 -0.251276 0.102143 3C 2dxy -0.126758 0.007016 -0.110718 0.090858 0.027567 -0.098938 3C 1f0 -0.077195 -0.009242 -0.016319 -0.024876 0.076451 -0.043211 3C 1f+1 -0.012046 -0.011134 0.001542 -0.038743 -0.008671 0.017765 3C 1f-1 -0.069931 -0.059437 -0.021102 0.051951 -0.079201 0.011984 3C 1f+2 0.071549 0.023988 0.026502 -0.035007 -0.005212 0.018439 3C 1f-2 0.031234 0.038658 0.000343 -0.005217 -0.005392 0.001578 3C 1f+3 0.056656 0.032898 0.016099 -0.001485 0.077262 -0.061138 3C 1f-3 -0.043988 -0.013702 -0.003521 0.053165 0.067913 -0.039016 4C 1s 0.005426 -0.014076 -0.038455 -0.006553 -0.000540 0.004765 4C 2s 0.016821 -0.045122 -0.125112 -0.021826 -0.001765 0.017451 4C 3s -0.204024 0.373232 1.229870 0.393228 -0.028526 -0.092064 4C 4s 0.739072 -0.343795 -2.469761 -1.158446 0.212829 -0.349779 4C 5s -1.048548 0.573637 2.022289 0.328632 0.390317 0.301621 4C 1pz 0.099791 0.064318 0.022084 0.111387 0.035522 -0.034267 4C 1px 0.027306 -0.182546 -0.022491 -0.256069 -0.084976 -0.087110 4C 1py 0.029779 -0.011618 0.010968 0.003234 -0.052154 -0.085404 4C 2pz -0.308898 0.253275 0.642631 -0.156807 -0.064236 -0.124048 4C 2px -0.431234 0.169803 -0.074582 0.237140 0.378716 0.107912 4C 2py -0.186491 0.188352 0.356650 -0.058881 0.154362 -0.012842 4C 3pz 0.883731 -0.459763 -1.314919 0.501877 -0.318058 0.081506 4C 3px -0.292807 -0.272788 0.099657 -0.081704 -0.046756 0.227034 4C 3py 0.446001 -0.348171 -0.755358 0.360398 -0.287683 0.010430 4C 1dz2 0.003896 -0.034887 -0.010906 -0.014172 -0.027380 -0.015052 4C 1dxz 0.015479 0.034743 0.023074 -0.001163 -0.004451 -0.032242 4C 1dyz 0.013715 -0.033983 -0.032079 -0.014948 0.024730 -0.001631 4C 1dx2y2 -0.015310 -0.011316 -0.043046 0.021358 -0.026540 0.036902 4C 1dxy 0.022690 0.001630 -0.019031 0.019375 -0.008185 -0.016811 4C 2dz2 0.056693 -0.221831 -0.520723 0.088563 -0.072320 0.104475 4C 2dxz -0.053747 -0.299726 -0.678089 -0.031391 0.284396 0.387800 4C 2dyz 0.250808 -0.316887 -0.810753 -0.027761 0.038894 0.246314 4C 2dx2y2 -0.151253 0.175069 0.467457 -0.258587 0.223419 0.002434 4C 2dxy -0.134420 -0.007966 -0.125950 -0.084115 -0.068778 -0.131876 4C 1f0 0.007572 -0.006475 -0.024297 0.022072 0.071281 0.063839 4C 1f+1 0.001465 -0.034556 -0.019054 -0.010286 0.006122 0.024756 4C 1f-1 0.017844 0.029685 0.004537 0.042510 0.001361 0.007001 4C 1f+2 0.008290 -0.000847 0.008287 -0.063959 0.055564 0.001676 4C 1f-2 -0.004188 -0.035456 0.002121 -0.040600 0.003351 -0.031201 4C 1f+3 0.009815 -0.006372 0.020310 0.003346 -0.034965 -0.048182 4C 1f-3 -0.008591 0.009413 -0.008627 0.044479 -0.022899 -0.010533 5C 1s -0.037785 -0.011835 -0.002725 0.001932 0.000590 0.002554 5C 2s -0.122433 -0.039070 -0.008150 0.005643 0.002434 0.008950 5C 3s 1.179591 0.355266 0.105645 -0.151492 -0.011563 -0.171564 5C 4s -2.272027 -0.346549 -0.457900 0.559730 0.068904 0.459403 5C 5s 2.046073 0.528675 0.448475 -0.154611 -0.419122 0.577157 5C 1pz 0.011651 0.125483 0.012463 -0.058786 0.040169 -0.004765 5C 1px -0.057023 -0.265033 -0.015633 0.110078 0.065339 -0.137249 5C 1py -0.017994 -0.062765 0.079243 0.016526 -0.004470 0.018656 5C 2pz 0.418737 0.051405 -0.171541 0.116731 -0.136893 -0.058378 5C 2px 0.155787 0.213643 0.457603 -0.132744 -0.067082 0.332998 5C 2py -0.603690 -0.229783 -0.197822 -0.080682 0.142510 -0.011835 5C 3pz -0.918987 -0.203634 -0.238165 -0.426772 0.527499 -0.210738 5C 3px -0.330727 -0.495838 -0.106112 -0.253777 0.024749 -0.141644 5C 3py 1.351988 0.533160 0.455261 0.632360 -0.603547 0.197065 5C 1dz2 0.045940 0.003731 0.003441 0.013161 -0.046794 -0.016911 5C 1dxz 0.013892 0.025613 -0.005047 0.024119 0.001933 -0.018455 5C 1dyz 0.039200 0.044224 -0.004090 -0.000819 0.023212 0.014513 5C 1dx2y2 -0.012414 0.026772 -0.001355 -0.026654 0.001150 -0.008536 5C 1dxy 0.005663 -0.021193 0.021674 -0.004365 0.000750 -0.003489 5C 2dz2 -0.007265 0.057435 -0.159821 -0.056368 -0.045606 -0.055610 5C 2dxz -0.426198 -0.089717 0.039259 -0.070646 0.364153 0.012755 5C 2dyz 0.508923 0.096236 0.199835 0.003934 -0.136979 -0.083786 5C 2dx2y2 0.638424 0.111811 0.156129 0.042761 0.005950 -0.024666 5C 2dxy 0.810611 0.388584 -0.142214 0.071537 0.180234 -0.273257 5C 1f0 -0.017715 -0.027197 0.017599 -0.017187 -0.022940 0.014049 5C 1f+1 -0.009161 0.025136 0.008170 -0.012133 0.036677 -0.013698 5C 1f-1 -0.008240 -0.049005 -0.014572 0.045026 -0.067168 -0.001925 5C 1f+2 0.007632 -0.032047 0.001524 0.028419 0.037917 -0.006999 5C 1f-2 0.008509 0.032206 -0.016363 0.016951 -0.058961 0.018920 5C 1f+3 -0.006630 -0.021137 -0.006554 -0.007621 0.014526 -0.037491 5C 1f-3 0.022552 -0.031317 0.018386 0.041008 0.046637 -0.030059 6C 1s 0.036331 -0.015010 0.004757 0.002353 0.001362 0.003544 6C 2s 0.117699 -0.049478 0.014830 0.006983 0.004773 0.012048 6C 3s -1.141862 0.453340 -0.161650 -0.166547 -0.012667 -0.175010 6C 4s 2.258894 -0.507160 0.492705 0.601188 -0.023086 0.341859 6C 5s -1.960460 0.659774 -0.525744 -0.186881 -0.418537 0.566110 6C 1pz -0.001808 -0.124866 0.033672 0.056632 -0.033587 0.013951 6C 1px -0.030182 0.267644 -0.059489 -0.111975 -0.052139 0.149702 6C 1py -0.010546 0.076893 0.067231 -0.016582 0.002250 -0.024855 6C 2pz 0.407285 -0.109067 -0.161807 -0.105209 0.149726 0.083949 6C 2px 0.143652 -0.178385 0.491948 0.130346 -0.025810 -0.462609 6C 2py -0.575659 0.250571 -0.232415 0.073669 -0.148442 0.001281 6C 3pz -0.910977 0.256908 -0.259722 0.394518 -0.463993 0.298402 6C 3px -0.277444 0.500857 -0.185003 0.250586 -0.084383 0.066028 6C 3py 1.318291 -0.586130 0.521480 -0.593483 0.566868 -0.262953 6C 1dz2 -0.045490 0.007793 -0.003882 0.012941 -0.045240 -0.016032 6C 1dxz -0.011466 0.026977 0.000791 0.024470 0.000806 -0.018183 6C 1dyz -0.034530 0.048138 -0.003941 -0.001571 0.018064 0.009027 6C 1dx2y2 0.015640 0.024956 -0.002809 -0.026590 -0.000524 -0.008556 6C 1dxy -0.008546 -0.023283 -0.017684 -0.004547 0.004181 0.001107 6C 2dz2 0.011278 0.079977 0.154003 -0.057870 -0.037742 -0.052082 6C 2dxz 0.414274 -0.135823 -0.023538 -0.065082 0.365112 0.026953 6C 2dyz -0.504506 0.119788 -0.215039 -0.001691 -0.110229 -0.051515 6C 2dx2y2 -0.623780 0.155435 -0.184470 0.039520 0.003255 -0.028571 6C 2dxy -0.763395 0.477499 0.070483 0.060109 0.104290 -0.371020 6C 1f0 -0.014891 0.031272 0.012798 0.017127 0.019215 -0.018530 6C 1f+1 -0.011554 -0.023204 0.012108 0.011679 -0.034025 0.016276 6C 1f-1 -0.002578 0.046865 -0.023083 -0.044348 0.061989 -0.003346 6C 1f+2 0.010421 0.031261 -0.003157 -0.028314 -0.035651 0.009998 6C 1f-2 0.004868 -0.034599 -0.011013 -0.016329 0.057762 -0.020828 6C 1f+3 -0.004379 0.020744 -0.010235 0.007973 -0.016351 0.035182 6C 1f-3 0.025523 0.031329 0.014007 -0.041425 -0.043830 0.033366 7C 1s -0.006011 -0.007525 0.040086 -0.007211 -0.000323 0.004606 7C 2s -0.018621 -0.023955 0.130325 -0.024006 -0.001636 0.016169 7C 3s 0.212045 0.172538 -1.272527 0.416279 -0.015778 -0.063757 7C 4s -0.704558 0.045346 2.508353 -1.212629 0.151452 -0.445308 7C 5s 1.018685 0.146808 -2.085532 0.385679 0.166438 0.054880 7C 1pz 0.092325 -0.071799 0.029014 -0.111465 -0.046116 0.022580 7C 1px 0.039287 0.178454 -0.045066 0.259069 0.062977 0.058405 7C 1py 0.029010 0.012305 0.006978 -0.000821 0.039669 0.068128 7C 2pz -0.310017 -0.106029 0.674118 0.137811 0.096352 0.150441 7C 2px -0.434196 -0.150537 -0.042636 -0.243868 -0.323657 -0.049494 7C 2py -0.189657 -0.113559 0.390925 0.043247 -0.113671 0.054834 7C 3pz 0.884728 0.202974 -1.401012 -0.466147 0.248431 -0.143647 7C 3px -0.262311 0.317229 0.074756 0.069877 0.079689 -0.209178 7C 3py 0.458068 0.212301 -0.819064 -0.334368 0.266940 -0.040255 7C 1dz2 -0.006989 -0.031959 0.015448 -0.012923 -0.023360 -0.010729 7C 1dxz -0.012252 0.032602 -0.027129 -0.000387 0.007250 -0.016380 7C 1dyz -0.016134 -0.027329 0.036648 -0.016247 0.031716 0.006568 7C 1dx2y2 0.014523 -0.006014 0.044295 0.021512 -0.029804 0.031458 7C 1dxy -0.021811 0.006673 0.019568 0.018631 -0.006174 -0.012698 7C 2dz2 -0.070059 -0.129481 0.555150 0.079811 -0.045336 0.126029 7C 2dxz 0.036749 -0.188698 0.704230 -0.041708 0.254755 0.333901 7C 2dyz -0.265468 -0.167781 0.854068 -0.048211 0.026369 0.214467 7C 2dx2y2 0.160789 0.079302 -0.502447 -0.244375 0.206218 -0.017472 7C 2dxy 0.139350 -0.007114 0.131365 -0.086841 -0.084210 -0.138312 7C 1f0 0.008391 0.001203 -0.023295 -0.022366 -0.072469 -0.064002 7C 1f+1 0.004450 0.030140 -0.022875 0.009883 -0.001402 -0.016725 7C 1f-1 0.015313 -0.030948 0.008187 -0.042302 -0.005463 -0.011416 7C 1f+2 0.007561 0.000686 0.009138 0.062851 -0.058903 -0.004826 7C 1f-2 -0.002007 0.035710 -0.002429 0.040775 -0.003590 0.032509 7C 1f+3 0.010734 0.008745 0.017589 -0.002725 0.032292 0.044243 7C 1f-3 -0.009265 -0.009966 -0.008566 -0.044218 0.024430 0.011297 8C 1s 0.006105 -0.002760 0.001011 -0.001525 0.000167 0.001524 8C 2s 0.008990 -0.002578 -0.000628 -0.009091 0.000088 0.006492 8C 3s 0.089054 -0.054497 0.047378 0.100969 0.012616 -0.026212 8C 4s -1.238608 0.420800 -0.327740 -0.153388 -0.164524 -0.099233 8C 5s 2.705423 -0.867004 1.118301 -0.384812 0.999472 -1.019780 8C 1pz 0.056255 0.070239 0.019587 -0.093388 0.067323 -0.047902 8C 1px 0.107019 -0.127227 0.004764 0.082129 0.084101 -0.090269 8C 1py -0.109216 0.040403 -0.034380 -0.017363 0.056268 -0.044905 8C 2pz 0.487004 -0.486501 0.098852 0.251399 -0.247994 0.139017 8C 2px 0.194245 0.333684 0.153559 -0.188183 -0.338803 0.299305 8C 2py -0.793509 0.386875 -0.144353 -0.091796 -0.376196 -0.030952 8C 3pz -0.036511 0.066339 -0.139695 0.028213 -0.132207 0.131069 8C 3px -0.300703 0.012232 -0.058744 0.125963 -0.167726 0.020884 8C 3py 0.532288 -0.217190 0.181195 -0.123341 0.168973 -0.210538 8C 1dz2 0.003427 0.019332 0.000847 -0.030999 0.014425 0.025689 8C 1dxz -0.002642 -0.011565 -0.011142 0.034201 0.111778 -0.075907 8C 1dyz -0.017835 -0.016731 -0.000221 0.039756 -0.016719 -0.017583 8C 1dx2y2 -0.037285 0.011446 -0.022136 -0.012217 0.101214 -0.055681 8C 1dxy -0.011714 0.055833 -0.009708 -0.057948 -0.017329 0.030072 8C 2dz2 0.080181 -0.049046 0.028882 0.116387 0.051560 0.070411 8C 2dxz 0.066099 -0.009395 0.024140 -0.064040 -0.330952 0.187331 8C 2dyz 0.331788 -0.164229 0.005592 -0.025625 0.053960 0.133644 8C 2dx2y2 0.275353 -0.169006 0.090894 0.012556 -0.217316 0.135193 8C 2dxy 0.128796 0.006828 0.110768 0.094688 0.003953 -0.118992 8C 1f0 -0.077173 0.015398 -0.017481 0.022626 -0.069143 0.049323 8C 1f+1 -0.008901 0.011543 0.000101 0.039217 0.003170 -0.023522 8C 1f-1 -0.062409 0.061357 -0.031075 -0.052119 0.070112 -0.021062 8C 1f+2 0.068066 -0.026085 0.029509 0.035949 0.003371 -0.022294 8C 1f-2 0.028564 -0.041953 0.007193 0.006706 0.008836 0.001113 8C 1f+3 0.053671 -0.035098 0.022012 0.001449 -0.066077 0.067995 8C 1f-3 -0.041385 0.016373 -0.004555 -0.054498 -0.058646 0.047303 9C 1s -0.001796 -0.002099 0.006873 0.001684 0.001039 0.002371 9C 2s 0.000764 -0.003288 0.011087 0.011121 0.001234 0.010296 9C 3s -0.069963 0.004022 0.100506 -0.170281 -0.010055 -0.066220 9C 4s 0.478624 0.137956 -1.412846 0.385177 0.056367 -0.052676 9C 5s -1.822202 -0.267549 2.728071 0.038933 -0.469946 -0.448050 9C 1pz -0.013390 -0.028240 0.127114 0.044893 0.056245 0.056470 9C 1px 0.006495 -0.070798 0.072460 -0.187577 0.015185 -0.044699 9C 1py -0.072820 -0.003855 0.067680 0.043614 -0.071071 -0.083963 9C 2pz -0.306790 -0.223736 0.893257 -0.281493 -0.233985 -0.123121 9C 2px -0.117664 0.279823 -0.024439 0.437453 -0.017741 0.146527 9C 2py -0.124531 -0.146580 0.640828 -0.222017 0.432183 0.412346 9C 3pz 0.305107 0.084387 -0.405308 -0.019564 0.053659 0.029455 9C 3px 0.152482 -0.007862 -0.416237 -0.190652 0.002726 -0.075348 9C 3py 0.239887 -0.004710 -0.232833 -0.049899 0.139309 0.053856 9C 1dz2 -0.007296 -0.001019 0.029599 -0.003999 0.085032 0.068175 9C 1dxz -0.008256 -0.047333 0.029454 -0.086941 0.038704 -0.028430 9C 1dyz -0.014627 -0.011077 0.021939 0.011483 -0.013091 -0.004173 9C 1dx2y2 0.008465 -0.006740 -0.000756 -0.005156 0.064361 0.058859 9C 1dxy -0.002021 -0.012748 -0.013162 -0.026675 -0.062451 -0.094814 9C 2dz2 0.095564 0.092184 -0.325770 0.078478 -0.147505 -0.199808 9C 2dxz 0.127999 0.033390 -0.052703 0.061623 -0.112435 0.074556 9C 2dyz 0.106198 0.048070 -0.364561 0.090367 -0.024255 -0.056476 9C 2dx2y2 0.020708 -0.053030 0.056331 0.062543 -0.190786 -0.179517 9C 2dxy -0.025367 -0.002684 0.000937 0.024353 0.229970 0.211963 9C 1f0 0.005286 0.022851 -0.042187 0.009063 -0.089221 -0.094795 9C 1f+1 -0.001658 0.001932 0.028091 -0.027911 0.029466 0.021551 9C 1f-1 -0.007543 -0.020082 0.067609 0.011550 0.001355 0.038117 9C 1f+2 -0.022668 -0.020663 0.043644 0.017272 -0.020772 0.006921 9C 1f-2 0.028322 0.035792 -0.070151 0.076419 -0.039223 0.020932 9C 1f+3 -0.067680 -0.011630 0.086742 -0.009302 -0.026065 -0.051042 9C 1f-3 -0.018582 -0.005303 0.029471 -0.064024 0.030790 -0.027026 10H 1s 0.042992 -0.069683 -0.122725 0.114400 0.060226 0.197825 10H 2s -0.146313 0.379656 0.330642 0.071894 0.005274 0.015944 10H 3s -0.173303 0.047378 0.407691 0.000699 0.089228 0.154499 10H 1pz 0.045690 0.123004 0.109077 0.070723 -0.050427 -0.075652 10H 1px 0.030895 -0.034277 0.007151 0.038901 -0.033756 -0.066386 10H 1py -0.062970 0.011547 0.005183 -0.020726 0.056468 0.086412 11H 1s 0.045379 -0.121615 -0.183778 -0.240102 0.187207 0.037315 11H 2s -0.141661 0.116242 0.313692 0.242748 0.095469 0.232689 11H 3s -0.136280 -0.105676 -0.079406 -0.060963 0.222105 0.240863 11H 1pz -0.004228 -0.006431 0.028333 -0.022749 0.000686 -0.003030 11H 1px -0.031323 0.014087 0.055169 0.110678 0.108013 0.163010 11H 1py -0.057805 0.005299 0.014822 0.058754 -0.023782 0.049255 12H 1s 0.118735 0.008065 -0.037557 -0.046657 -0.248294 -0.386350 12H 2s -0.325445 0.024308 0.258113 0.101834 -0.114168 0.195868 12H 3s -0.071960 0.091977 0.181136 0.071821 -0.145813 -0.111429 12H 1pz 0.015557 -0.012649 -0.014141 0.008936 0.037244 0.090843 12H 1px 0.005723 0.061300 0.118085 0.177854 -0.060256 0.000458 12H 1py -0.075266 -0.034957 0.010812 -0.065860 -0.074698 -0.009106 13H 1s -0.099644 -0.053685 -0.028905 -0.130577 -0.129190 0.096303 13H 2s 0.262652 0.370207 0.033420 -0.056027 -0.040329 0.133640 13H 3s 0.361054 -0.022390 0.082700 -0.035616 -0.202440 0.100790 13H 1pz 0.008845 0.030173 0.009960 0.033885 -0.103847 0.146240 13H 1px 0.023073 -0.011568 -0.005664 0.040362 -0.013228 0.019918 13H 1py -0.086091 -0.136879 0.037713 0.060208 -0.091655 0.066023 14H 1s -0.088053 0.018100 -0.011398 0.056384 0.375613 -0.236532 14H 2s 0.361411 -0.049474 0.157413 -0.047336 0.016836 0.162123 14H 3s 0.238828 0.105923 0.098072 -0.014871 0.201178 -0.070011 14H 1pz -0.068839 -0.127241 0.056713 0.111230 0.008308 0.062893 14H 1px 0.153146 0.041092 0.023196 -0.064738 0.099019 -0.025600 14H 1py 0.009955 0.011722 -0.006446 0.051127 0.037120 -0.032488 15H 1s -0.190747 -0.151770 -0.054284 0.202775 -0.206189 0.072831 15H 2s 0.379432 0.169837 0.083829 -0.246791 -0.084063 -0.116531 15H 3s -0.107152 -0.110823 0.085497 0.099099 -0.230744 0.185201 15H 1pz -0.015039 -0.018687 0.016321 -0.002344 0.076506 0.000519 15H 1px 0.105412 0.058043 0.007817 -0.081569 -0.109051 0.090094 15H 1py -0.050806 0.004731 -0.011644 0.047455 -0.007046 0.070041 16H 1s -0.060858 -0.160259 -0.021961 0.182076 0.005735 0.020311 16H 2s 0.214059 0.466565 0.065680 -0.624684 -0.025224 -0.065353 16H 3s -0.066976 -0.209556 0.093906 0.216649 -0.005718 0.018757 16H 1pz 0.117872 0.154422 -0.008307 -0.238739 -0.005149 -0.050084 16H 1px 0.005861 -0.022901 -0.130115 0.102629 -0.003207 0.010141 16H 1py 0.038135 0.058095 -0.016308 -0.056697 0.006076 0.027420 17H 1s 0.092916 -0.007888 0.049700 -0.027298 0.072338 0.009102 17H 2s -0.337524 0.036508 -0.175016 0.071315 -0.233268 0.046641 17H 3s 0.058663 0.082888 0.009505 -0.015661 0.108248 -0.039372 17H 1pz -0.018411 0.045638 0.017703 -0.013359 0.035387 -0.029526 17H 1px 0.171951 -0.106959 0.096458 -0.062073 0.070063 -0.003603 17H 1py -0.057478 -0.078358 0.008933 0.051210 -0.016321 0.055409 18H 1s -0.097263 -0.020438 -0.043385 -0.028815 0.124719 0.079616 18H 2s 0.354817 0.077554 0.155015 0.078551 -0.416095 -0.192495 18H 3s -0.057508 0.067997 -0.012883 -0.018171 0.188453 0.065967 18H 1pz -0.016232 -0.036118 0.022902 0.014957 -0.091235 -0.033565 18H 1px 0.186146 0.118176 0.078408 0.067239 -0.127966 -0.069565 18H 1py -0.051906 0.079235 0.000845 -0.052593 0.068437 0.012057 19H 1s 0.044124 -0.167478 0.053661 0.182636 -0.054855 -0.045744 19H 2s -0.162440 0.491848 -0.160010 -0.628091 0.177710 0.165015 19H 3s 0.047594 -0.231874 -0.053546 0.218335 -0.091164 -0.074654 19H 1pz 0.100753 -0.167139 0.022411 0.240154 -0.079193 -0.052107 19H 1px 0.011476 0.010309 -0.140712 -0.102319 0.028919 0.019518 19H 1py 0.038649 -0.062935 -0.007709 0.060797 -0.047410 -0.073799 20H 1s 0.171804 -0.158844 0.079993 0.202690 -0.187703 0.090449 20H 2s -0.359671 0.185509 -0.106468 -0.249532 -0.076849 -0.100164 20H 3s 0.090812 -0.130556 -0.057602 0.095690 -0.198513 0.223964 20H 1pz -0.013004 0.021475 0.014822 0.003158 -0.070247 0.004435 20H 1px 0.100381 -0.068135 0.017051 0.084966 0.093905 -0.098686 20H 1py -0.049586 -0.004695 -0.010351 -0.046176 0.001801 -0.071842 21H 1s 0.091760 0.008791 0.004467 0.063522 0.329857 -0.275067 21H 2s -0.367410 -0.029889 -0.148903 -0.060154 0.052677 0.189531 21H 3s -0.221484 0.108467 -0.113896 -0.018270 0.185215 -0.076211 21H 1pz -0.053210 0.139509 0.035969 -0.110351 -0.015027 -0.070731 21H 1px 0.148098 -0.055221 0.031657 0.068243 -0.099228 0.030331 21H 1py 0.009230 -0.012525 -0.004123 -0.050317 -0.027165 0.044309 22H 1s 0.093909 -0.057200 0.038032 -0.130840 -0.103336 0.112670 22H 2s -0.222383 0.384142 -0.094113 -0.059863 -0.080094 0.103470 22H 3s -0.365666 0.003004 -0.075759 -0.044043 -0.173359 0.123857 22H 1pz 0.007018 -0.029070 0.014467 -0.031568 0.099483 -0.149684 22H 1px 0.025619 0.006690 -0.008162 -0.038568 0.004059 -0.023382 22H 1py -0.069625 0.147467 0.014108 -0.059125 0.066388 -0.089463 23H 1s -0.111376 0.021429 0.045977 -0.058422 -0.210964 -0.323609 23H 2s 0.313036 -0.041168 -0.262643 0.126064 -0.192781 0.091592 23H 3s 0.072926 0.057781 -0.178495 0.072460 -0.146858 -0.099243 23H 1pz 0.015926 0.010626 -0.014762 -0.007041 -0.025268 -0.073263 23H 1px 0.004617 -0.043722 0.123633 -0.179000 0.102410 0.052916 23H 1py -0.071905 0.041944 0.006687 0.057586 0.077079 0.012057 24H 1s -0.050137 -0.084115 0.193976 -0.236262 0.236918 0.089331 24H 2s 0.139075 0.051030 -0.329339 0.235299 -0.005662 0.102854 24H 3s 0.120415 -0.095575 0.084085 -0.054084 0.233172 0.241752 24H 1pz -0.003628 0.013225 0.025791 0.029384 0.012777 0.017809 24H 1px -0.028936 -0.003771 0.059771 -0.111953 -0.074694 -0.109730 24H 1py -0.057543 0.001965 0.015645 -0.064570 0.035567 -0.033495 25H 1s -0.047082 -0.045539 0.128528 0.113903 0.023729 0.142667 25H 2s 0.168789 0.305420 -0.383473 0.079245 0.028410 0.065305 25H 3s 0.167484 -0.027667 -0.422523 0.012629 0.056732 0.113569 25H 1pz 0.035754 -0.107019 0.123779 -0.066993 0.041334 0.055806 25H 1px 0.035109 0.029623 0.000796 -0.038185 0.040551 0.077331 25H 1py -0.061475 -0.006765 0.009125 0.012408 -0.074858 -0.103606 26O 1s -0.002065 0.000743 0.005905 0.003625 -0.000185 0.003671 26O 2s -0.005344 -0.000860 0.016847 0.009931 -0.002524 0.008723 26O 3s 0.003998 0.055657 -0.055114 -0.046368 0.052719 -0.006496 26O 4s 0.154252 -0.325550 -0.189311 -0.015756 -0.258662 -0.225095 26O 5s 0.230149 0.353995 0.449701 0.536798 -0.052426 0.446118 26O 1pz -0.007412 0.098710 0.148918 0.059978 -0.018458 -0.001372 26O 1px -0.004615 -0.025559 -0.032558 -0.024275 -0.042267 -0.040828 26O 1py 0.007810 0.012319 0.029567 -0.010537 0.086593 0.115457 26O 2pz 0.001818 -0.079324 -0.148368 -0.085116 0.005600 -0.091454 26O 2px -0.090436 0.062377 0.004823 -0.061372 0.153327 0.053556 26O 2py -0.002462 0.027503 -0.048505 -0.059245 -0.034106 -0.139506 26O 3pz -0.164477 0.408860 0.943968 0.260309 -0.052995 -0.007477 26O 3px -0.033278 0.036730 -0.270496 -0.087080 0.041131 -0.262533 26O 3py -0.365740 0.078125 0.371594 0.024043 0.297891 0.221744 26O 1dz2 0.005577 0.004796 0.009745 0.002968 -0.002893 0.003995 26O 1dxz 0.002193 0.001525 -0.004045 0.005913 0.000515 0.008046 26O 1dyz -0.004876 0.007712 0.008681 0.012879 0.006838 0.009115 26O 1dx2y2 0.004149 0.000017 -0.001182 -0.000120 -0.000240 -0.001146 26O 1dxy 0.000206 0.007145 -0.002814 0.007069 -0.000282 0.004599 26O 2dz2 0.047245 0.058123 0.164171 0.008883 -0.026651 -0.002217 26O 2dxz 0.073725 -0.151736 -0.462502 0.056364 0.060027 0.223462 26O 2dyz -0.112817 0.049052 0.053759 0.180326 0.098492 0.162273 26O 2dx2y2 0.041261 0.085852 0.088415 0.038294 0.095779 0.133766 26O 2dxy 0.084024 0.076784 -0.139837 0.221362 -0.128606 0.015561 26O 1f0 -0.002262 -0.003641 0.002201 -0.001035 -0.000275 -0.002976 26O 1f+1 0.001720 0.000298 0.006556 -0.001683 -0.004146 -0.010455 26O 1f-1 -0.000035 -0.003094 -0.001842 -0.005798 -0.006571 -0.008483 26O 1f+2 0.000624 0.002472 -0.000931 0.004659 0.002293 0.005506 26O 1f-2 0.001912 0.002315 -0.002314 -0.001689 0.002434 -0.003988 26O 1f+3 0.005191 -0.000911 0.001454 -0.001077 0.000609 -0.004758 26O 1f-3 0.001332 -0.005555 0.007440 -0.003924 -0.006738 -0.005236 27O 1s 0.004935 0.002230 0.000072 -0.003681 -0.001630 0.001725 27O 2s 0.014092 0.004367 -0.000494 -0.010261 -0.002923 0.002361 27O 3s -0.042308 0.014032 0.022328 0.041440 -0.025458 0.041456 27O 4s -0.190367 -0.225763 -0.141312 0.066166 0.258177 -0.312863 27O 5s 0.381288 0.589717 -0.341269 -0.197630 -0.342763 0.050483 27O 1pz 0.056120 0.013128 -0.020061 -0.033782 -0.147567 0.059533 27O 1px -0.034536 -0.058274 -0.000389 -0.006696 0.012390 0.007452 27O 1py -0.152213 -0.074068 -0.012454 0.046258 -0.017469 0.010044 27O 2pz -0.067120 -0.009297 0.004421 0.035899 0.157454 -0.103562 27O 2px 0.022786 0.040966 0.119865 0.021235 -0.032458 0.116591 27O 2py 0.131736 0.036659 -0.019928 -0.080838 -0.045535 -0.013491 27O 3pz 0.518137 0.189517 0.044703 -0.068320 -0.506812 0.133126 27O 3px -0.161566 -0.008831 0.150105 -0.030716 -0.035561 0.038763 27O 3py -0.828816 -0.345958 0.129012 0.222132 0.120920 0.057680 27O 1dz2 0.000656 -0.004076 0.003110 0.007365 -0.001284 0.000261 27O 1dxz 0.000391 0.003850 0.001488 -0.003307 -0.002837 0.002257 27O 1dyz -0.011351 -0.008421 -0.001018 0.005459 0.005551 -0.006361 27O 1dx2y2 -0.007842 0.000466 0.002766 0.002695 0.004280 -0.000118 27O 1dxy 0.000521 -0.009344 -0.000399 0.005852 0.006661 -0.008935 27O 2dz2 0.047216 -0.102741 0.080720 0.135578 -0.028263 -0.004290 27O 2dxz -0.178037 0.019997 -0.023042 -0.035664 0.214810 -0.027616 27O 2dyz -0.261683 -0.162775 -0.014907 0.104623 0.035052 -0.042010 27O 2dx2y2 -0.035469 0.119457 -0.023411 0.030620 0.017843 -0.013856 27O 2dxy 0.386270 -0.001565 -0.001991 0.104455 0.135629 -0.146450 27O 1f0 0.003154 -0.001094 0.002101 -0.005091 -0.001772 0.003605 27O 1f+1 0.004891 -0.005444 -0.002592 0.002716 0.002502 -0.007683 27O 1f-1 0.000790 0.002711 -0.001130 0.001227 -0.001771 0.002918 27O 1f+2 0.001754 0.002147 -0.001192 -0.002802 -0.004281 0.001497 27O 1f-2 0.000165 -0.001230 -0.001000 -0.004926 -0.004140 0.005034 27O 1f+3 0.002367 -0.002924 -0.002461 0.003303 0.006753 -0.009134 27O 1f-3 -0.004492 0.006032 -0.001016 -0.002810 -0.004484 0.009084 28O 1s -0.000571 0.001910 0.005066 0.000483 -0.001290 -0.000512 28O 2s -0.000939 0.006889 0.013938 0.005276 -0.002480 0.000704 28O 3s -0.004062 -0.038651 -0.024057 -0.100117 -0.016062 -0.054582 28O 4s 0.066187 -0.003288 -0.322834 0.429791 0.212696 0.353994 28O 5s -0.601597 -0.111619 0.058396 -0.088110 -0.120249 -0.058804 28O 1pz -0.026101 0.019773 0.065792 -0.023043 0.032651 0.014232 28O 1px -0.031743 -0.021649 0.043873 -0.125191 0.018842 -0.024216 28O 1py -0.018236 0.047577 0.087983 -0.017662 -0.115177 -0.158897 28O 2pz 0.025585 -0.026660 0.010586 -0.092954 -0.078769 0.001398 28O 2px 0.000800 0.023788 -0.130244 0.241252 0.048150 0.109681 28O 2py 0.001929 -0.069541 -0.069423 0.005864 0.123522 0.177746 28O 3pz 0.369669 0.546014 0.430992 0.131808 -0.077156 -0.565151 28O 3px -0.219426 -0.252382 0.207781 -0.235709 0.067431 0.042680 28O 3py -0.078870 0.398690 0.378174 0.018321 -0.209618 -0.509943 28O 1dz2 0.001040 -0.004375 0.003678 -0.005429 -0.003519 -0.006467 28O 1dxz 0.003436 0.006223 0.005774 0.007325 0.002419 -0.006172 28O 1dyz -0.002822 -0.002867 0.005795 -0.008271 -0.004527 -0.007603 28O 1dx2y2 0.001531 -0.003567 -0.003043 0.003162 0.000206 0.001668 28O 1dxy -0.000405 0.004617 0.003402 0.002330 -0.002884 -0.002203 28O 2dz2 -0.000890 -0.100902 -0.171965 0.109875 -0.160029 -0.083395 28O 2dxz 0.101928 0.252383 0.332626 0.218554 0.002030 -0.093264 28O 2dyz 0.032553 -0.052254 -0.028658 0.011426 -0.016286 0.010444 28O 2dx2y2 -0.014450 -0.080800 0.076283 -0.127678 -0.042396 -0.077407 28O 2dxy -0.094198 0.139904 0.305640 0.009564 -0.091478 -0.166923 28O 1f0 0.000732 0.003270 0.003778 0.006847 -0.003486 -0.003322 28O 1f+1 0.000057 0.011922 0.007282 0.013768 0.004284 0.005250 28O 1f-1 -0.000520 -0.001293 -0.004091 -0.001304 0.005208 0.010180 28O 1f+2 0.001422 -0.006823 -0.004962 -0.016658 -0.004125 -0.005027 28O 1f-2 0.001153 0.003988 0.000559 0.007131 0.001328 0.004829 28O 1f+3 -0.000537 -0.000167 0.000115 -0.001989 -0.006873 -0.003709 28O 1f-3 -0.001196 0.002542 0.004051 0.006011 0.001666 0.003143 29O 1s 0.005461 -0.001955 0.000471 0.007032 0.002514 -0.000720 29O 2s 0.017649 -0.008552 0.002006 0.024121 0.008824 -0.001966 29O 3s -0.100235 0.105604 -0.027985 -0.178219 -0.070469 0.003909 29O 4s 0.102459 -0.354332 0.088338 0.303128 0.141764 0.072702 29O 5s 0.022579 0.287880 -0.008052 0.174721 0.034818 -0.265513 29O 1pz -0.067576 -0.126574 -0.069997 0.088757 -0.029235 -0.022386 29O 1px -0.055820 0.012688 0.014961 0.011308 -0.019495 0.004160 29O 1py 0.025150 -0.017877 0.001383 -0.016408 0.011253 0.018617 29O 2pz 0.244361 0.312064 0.092356 -0.365988 0.074933 -0.015662 29O 2px 0.135549 -0.009724 0.027347 -0.020090 0.073285 -0.041346 29O 2py -0.031797 0.085462 -0.048375 -0.037074 -0.051892 -0.016712 29O 3pz 0.067131 -0.048093 0.135926 0.050587 -0.015486 -0.095056 29O 3px -0.043002 -0.106249 0.047855 -0.120676 -0.033435 0.136251 29O 3py -0.098877 0.050841 0.028225 -0.116592 -0.062175 0.006482 29O 1dz2 0.002212 0.000537 0.001589 -0.005091 0.000042 -0.000375 29O 1dxz -0.004839 0.001249 -0.004837 0.001983 -0.001117 0.003139 29O 1dyz 0.001448 0.004243 0.000394 -0.004785 -0.000300 -0.000531 29O 1dx2y2 -0.000065 -0.000082 0.000631 0.003346 0.000501 -0.000593 29O 1dxy 0.005669 -0.002110 -0.001485 0.002772 0.001866 -0.000819 29O 2dz2 0.071820 -0.043804 0.039656 -0.036132 -0.001281 -0.014033 29O 2dxz -0.008064 0.037126 -0.146085 0.053194 -0.008721 0.029500 29O 2dyz -0.099722 0.067248 -0.049740 0.053303 -0.025091 0.037302 29O 2dx2y2 -0.052315 0.098358 -0.040555 0.011273 -0.020473 -0.067533 29O 2dxy 0.081087 -0.038384 -0.073450 0.065491 0.015730 0.004006 29O 1f0 0.000839 0.010470 -0.002416 -0.013789 -0.004078 -0.002398 29O 1f+1 0.002719 -0.004573 0.001356 0.001565 0.002646 -0.001092 29O 1f-1 0.008842 0.016767 -0.001606 -0.022995 -0.001941 -0.002667 29O 1f+2 -0.002759 -0.005313 -0.000666 0.008283 0.000489 0.002225 29O 1f-2 -0.013548 0.000024 -0.006115 0.009522 -0.008858 0.002870 29O 1f+3 0.003726 0.001979 0.001146 -0.003243 0.001794 -0.001814 29O 1f-3 0.005082 0.003553 0.003935 -0.008716 0.002823 -0.001817 30O 1s 0.006053 0.001941 0.002249 -0.001551 0.002891 -0.000171 30O 2s 0.016600 0.008135 0.006490 -0.008005 0.007619 0.001728 30O 3s -0.034970 -0.063614 -0.031598 0.101531 -0.020997 -0.047234 30O 4s -0.315594 0.081728 0.001773 -0.373954 -0.085054 0.269771 30O 5s 0.111186 -0.032272 0.616009 0.276510 0.123739 -0.299135 30O 1pz 0.056250 0.046158 0.008084 0.005142 0.151973 -0.077215 30O 1px 0.057339 -0.058471 0.037422 0.067212 0.061603 -0.081400 30O 1py -0.076528 -0.004666 -0.022438 -0.018614 0.044519 0.028494 30O 2pz 0.004504 -0.059927 -0.061585 0.044977 -0.191229 0.080099 30O 2px -0.128512 0.055446 0.013225 -0.150761 -0.067384 0.130089 30O 2py 0.040270 0.057307 0.044413 0.008797 0.028295 -0.031782 30O 3pz 0.338469 0.527715 0.030618 -0.019936 0.339611 -0.224240 30O 3px 0.271837 -0.186872 0.424438 0.139494 0.120713 -0.099554 30O 3py -0.478289 -0.683238 0.210646 -0.071540 -0.147569 0.211110 30O 1dz2 -0.004635 -0.002544 0.003686 -0.000320 -0.002687 0.001653 30O 1dxz 0.004149 0.003691 0.003089 -0.000873 0.002221 -0.002813 30O 1dyz -0.002286 0.010885 -0.005238 -0.005873 -0.006928 0.009973 30O 1dx2y2 -0.003990 0.005246 0.003195 -0.004608 -0.009825 0.001383 30O 1dxy -0.005749 -0.007953 -0.000335 -0.003418 -0.003522 0.002411 30O 2dz2 -0.225790 -0.074817 -0.033903 -0.045770 -0.196744 0.106495 30O 2dxz 0.178633 0.227521 0.023366 -0.055031 0.017227 0.004106 30O 2dyz 0.160041 0.163315 -0.069941 -0.006614 -0.036398 0.080966 30O 2dx2y2 0.172950 -0.069237 0.098393 0.071986 -0.149769 -0.050941 30O 2dxy -0.310428 -0.282263 0.075537 0.043846 0.032724 0.008231 30O 1f0 0.005425 0.006114 -0.000704 -0.001656 -0.001228 -0.002126 30O 1f+1 0.002483 0.004700 -0.000405 -0.001064 -0.000143 0.002670 30O 1f-1 0.000568 0.003721 0.000864 -0.002284 0.005280 -0.002330 30O 1f+2 0.003088 0.003284 0.000069 0.002052 0.010027 -0.007116 30O 1f-2 -0.005680 -0.014193 -0.000651 0.011436 0.000784 -0.008374 30O 1f+3 0.003289 0.006994 -0.003353 -0.008092 -0.009234 0.006327 30O 1f-3 -0.007065 -0.009765 -0.001741 0.006032 0.001071 0.002489 31O 1s -0.005864 0.002147 -0.002609 -0.001533 0.001938 -0.001193 31O 2s -0.015799 0.008632 -0.007947 -0.007906 0.004757 -0.001359 31O 3s 0.028818 -0.061994 0.042219 0.100337 -0.011480 -0.036716 31O 4s 0.324567 0.054088 -0.013536 -0.369816 -0.048033 0.302914 31O 5s -0.158257 -0.093120 -0.587346 0.273126 0.209438 -0.123553 31O 1pz 0.050567 -0.050201 0.018508 -0.005623 -0.137452 0.089345 31O 1px 0.064286 0.058331 0.029298 -0.067499 -0.056111 0.080532 31O 1py -0.075354 0.008703 -0.022992 0.018038 -0.037420 -0.017779 31O 2pz 0.009304 0.052333 -0.072925 -0.043063 0.191360 -0.071008 31O 2px -0.132391 -0.044175 0.019573 0.150317 0.037223 -0.159287 31O 2py 0.036163 -0.056173 0.052654 -0.009384 -0.041945 0.010606 31O 3pz 0.274032 -0.544458 0.126663 0.014723 -0.249742 0.322560 31O 3px 0.306940 0.209527 0.391215 -0.141576 -0.122796 0.065051 31O 3py -0.398035 0.748398 0.090951 0.077606 0.033740 -0.348009 31O 1dz2 0.004319 -0.003439 -0.003167 -0.000264 -0.001932 0.002537 31O 1dxz -0.003711 0.003616 -0.003757 -0.000866 0.002079 -0.002709 31O 1dyz 0.003420 0.011277 0.003394 -0.005864 -0.006968 0.009689 31O 1dx2y2 0.004420 0.004315 -0.003816 -0.004507 -0.009397 0.002089 31O 1dxy 0.005000 -0.008467 0.001661 -0.003467 -0.002948 0.002838 31O 2dz2 0.217550 -0.089430 0.049396 -0.044683 -0.163207 0.141287 31O 2dxz -0.151446 0.236869 -0.062080 -0.056280 -0.001845 -0.019116 31O 2dyz -0.139624 0.187448 0.038667 -0.009998 -0.040022 0.065231 31O 2dx2y2 -0.182040 -0.063259 -0.088153 0.070590 -0.134885 -0.035174 31O 2dxy 0.277868 -0.320741 -0.027197 0.045179 0.056107 0.041664 31O 1f0 0.004836 -0.006861 0.000316 0.001735 0.000722 0.001700 31O 1f+1 0.002056 -0.004943 0.000315 0.001157 0.000167 -0.002571 31O 1f-1 0.000149 -0.003578 0.001470 0.002274 -0.004978 0.002335 31O 1f+2 0.002648 -0.003524 0.000686 -0.002092 -0.008632 0.008488 31O 1f-2 -0.004232 0.014639 -0.003004 -0.011490 -0.000727 0.008271 31O 1f+3 0.002476 -0.007750 -0.002194 0.008219 0.009364 -0.005911 31O 1f-3 -0.006080 0.010175 -0.003231 -0.006058 -0.000662 -0.002104 32O 1s -0.005943 -0.002141 0.000309 0.007049 0.001424 -0.002160 32O 2s -0.019466 -0.009381 0.000961 0.024148 0.005305 -0.006545 32O 3s 0.117405 0.117076 -0.000647 -0.177804 -0.050216 0.028788 32O 4s -0.147567 -0.389535 -0.010504 0.300843 0.117179 0.046818 32O 5s -0.001951 0.282983 -0.034109 0.176031 0.041641 -0.252546 32O 1pz -0.056554 0.119478 -0.090642 -0.088141 0.078459 0.077705 32O 1px -0.057185 -0.011689 0.018915 -0.012911 0.037144 0.028417 32O 1py 0.024652 0.021471 -0.005045 0.013853 -0.010577 -0.022275 32O 2pz 0.219804 -0.307588 0.147132 0.368323 -0.273439 -0.217826 32O 2px 0.140792 0.020325 0.019361 0.022140 -0.142965 -0.056825 32O 2py -0.036842 -0.109299 -0.023773 0.045470 0.059451 0.036505 32O 3pz 0.068989 0.062318 0.126386 -0.051873 0.044675 0.123194 32O 3px -0.039373 0.106180 0.039297 0.118156 0.038847 -0.119281 32O 3py -0.107122 -0.043710 0.037749 0.114737 0.054100 -0.016990 32O 1dz2 -0.002033 0.000312 -0.001831 -0.004952 0.001878 0.002246 32O 1dxz 0.005163 0.001698 0.004553 0.002089 -0.002529 0.001671 32O 1dyz -0.001174 0.004214 -0.001110 -0.004921 0.002645 0.003044 32O 1dx2y2 -0.000004 -0.000484 -0.000417 0.003470 -0.000270 -0.001648 32O 1dxy -0.005962 -0.001603 0.001953 0.002737 0.002751 0.000220 32O 2dz2 -0.076931 -0.043474 -0.035802 -0.040142 -0.005895 -0.019398 32O 2dxz 0.009509 0.055188 0.142479 0.050486 -0.015055 0.018633 32O 2dyz 0.102182 0.067175 0.043237 0.056268 -0.038832 0.016028 32O 2dx2y2 0.060435 0.099302 0.024417 0.009449 -0.014085 -0.055507 32O 2dxy -0.085944 -0.020839 0.084701 0.063904 0.000738 -0.011026 32O 1f0 -0.000845 -0.010847 -0.000192 0.012510 0.002468 0.000960 32O 1f+1 0.003824 0.005412 0.000615 -0.001485 -0.004608 -0.001029 32O 1f-1 0.006876 -0.018752 0.001766 0.023459 -0.004589 -0.004921 32O 1f+2 -0.002137 0.006218 -0.001629 -0.008763 0.001931 0.000925 32O 1f-2 -0.014179 -0.000690 -0.005888 -0.010389 0.018534 0.009173 32O 1f+3 0.003125 -0.001784 0.001091 0.002874 -0.003795 -0.001030 32O 1f-3 0.004960 -0.002987 0.004404 0.009104 -0.007589 -0.004145 33O 1s 0.000670 0.000833 -0.005280 0.000469 -0.001719 -0.001089 33O 2s 0.001321 0.003927 -0.014785 0.005224 -0.003711 -0.000941 33O 3s 0.001818 -0.032748 0.029706 -0.099594 -0.006985 -0.042147 33O 4s -0.064467 0.057650 0.320150 0.428325 0.162356 0.283161 33O 5s 0.583448 -0.140925 -0.063319 -0.094082 -0.038185 0.057913 33O 1pz -0.027248 -0.007336 0.068041 0.022261 -0.026706 -0.004951 33O 1px -0.031219 0.031935 0.043656 0.125083 -0.026055 0.013403 33O 1py -0.023937 -0.030400 0.090469 0.018150 0.110904 0.144977 33O 2pz 0.028270 0.031347 0.008461 0.091738 0.072070 -0.013218 33O 2px -0.000865 -0.049053 -0.126672 -0.241113 -0.026483 -0.079877 33O 2py 0.010039 0.057794 -0.073874 -0.007303 -0.118955 -0.164204 33O 3pz 0.319827 -0.484080 0.495353 -0.125926 0.037246 0.513091 33O 3px -0.192440 0.280181 0.182201 0.237017 -0.120333 -0.109089 33O 3py -0.114044 -0.321264 0.423979 -0.017973 0.160780 0.436913 33O 1dz2 -0.001349 -0.004801 -0.002895 -0.005459 -0.004240 -0.007428 33O 1dxz -0.002992 0.005740 -0.006357 0.007311 0.003424 -0.004751 33O 1dyz 0.002669 -0.004014 -0.005163 -0.008244 -0.005099 -0.008309 33O 1dx2y2 -0.001928 -0.002906 0.003448 0.003045 0.000626 0.002120 33O 1dxy 0.000678 0.004068 -0.003880 0.002317 -0.001995 -0.000933 33O 2dz2 -0.008526 -0.073256 0.191683 0.104182 -0.142339 -0.058234 33O 2dxz -0.085270 0.205229 -0.358663 0.222377 -0.002702 -0.098082 33O 2dyz -0.038424 -0.043397 0.034539 0.007830 -0.000761 0.025316 33O 2dx2y2 0.008622 -0.091836 -0.067295 -0.128739 -0.034052 -0.063878 33O 2dxy 0.102663 0.081876 -0.319317 0.015048 -0.074319 -0.138718 33O 1f0 0.000559 -0.002819 0.004059 -0.006898 0.004036 0.003768 33O 1f+1 -0.000791 -0.010761 0.008946 -0.013848 -0.003877 -0.004840 33O 1f-1 -0.000330 0.000871 -0.003802 0.001257 -0.005074 -0.009873 33O 1f+2 0.001749 0.006080 -0.005935 0.016863 0.004030 0.004902 33O 1f-2 0.000849 -0.003982 0.001205 -0.007265 -0.000906 -0.004368 33O 1f+3 -0.000569 0.000509 -0.000089 0.002161 0.007012 0.003458 33O 1f-3 -0.001203 -0.001907 0.004495 -0.006318 -0.001590 -0.002959 34O 1s -0.004683 0.002729 -0.000472 -0.003769 -0.001517 0.001855 34O 2s -0.013558 0.005923 -0.000337 -0.010503 -0.002593 0.002693 34O 3s 0.043014 0.006142 -0.024269 0.042074 -0.024362 0.043087 34O 4s 0.171082 -0.224855 0.179894 0.071684 0.223233 -0.347492 34O 5s -0.338765 0.659143 0.258122 -0.226264 -0.341578 0.009066 34O 1pz 0.055337 -0.021582 -0.018712 0.035589 0.138512 -0.062486 34O 1px -0.029325 0.061932 -0.010321 0.006055 -0.011503 -0.008727 34O 1py -0.143165 0.085396 -0.026647 -0.048325 0.006754 -0.025923 34O 2pz -0.067440 0.016898 0.004092 -0.038362 -0.145432 0.108648 34O 2px 0.018929 -0.028815 0.130089 -0.022181 0.012752 -0.141458 34O 2py 0.127496 -0.050719 -0.013927 0.084238 0.051347 0.024937 34O 3pz 0.503044 -0.237244 0.070293 0.082546 0.450877 -0.173537 34O 3px -0.162448 0.033269 0.149429 0.018788 0.011336 -0.065656 34O 3py -0.792704 0.445137 0.064141 -0.242376 -0.100412 -0.056250 34O 1dz2 -0.001210 -0.004448 -0.002371 0.007397 -0.001144 0.000230 34O 1dxz 0.000030 0.003626 -0.002113 -0.003258 -0.003441 0.001720 34O 1dyz 0.010515 -0.009212 0.002402 0.005661 0.005733 -0.005848 34O 1dx2y2 0.007836 -0.000641 -0.002910 0.002819 0.004417 0.000164 34O 1dxy -0.001472 -0.009139 0.001835 0.005814 0.006854 -0.008961 34O 2dz2 -0.058424 -0.108932 -0.062891 0.137153 -0.034705 -0.008710 34O 2dxz 0.181550 0.004292 0.019459 -0.032777 0.199539 -0.040611 34O 2dyz 0.244962 -0.184234 0.042162 0.110532 0.023605 -0.049024 34O 2dx2y2 0.046077 0.116827 0.003334 0.029768 0.003979 -0.031782 34O 2dxy -0.383567 0.036705 -0.004412 0.101759 0.105056 -0.179009 34O 1f0 0.003237 0.001055 0.001962 0.005145 0.001605 -0.003678 34O 1f+1 0.005420 0.004656 -0.003547 -0.002576 -0.001961 0.008210 34O 1f-1 0.000539 -0.002914 -0.000702 -0.001198 0.001876 -0.002716 34O 1f+2 0.001569 -0.002291 -0.000904 0.002790 0.004412 -0.001400 34O 1f-2 0.000265 0.001032 -0.001199 0.004970 0.004310 -0.004555 34O 1f+3 0.002583 0.002323 -0.002916 -0.003375 -0.005882 0.010250 34O 1f-3 -0.005172 -0.005611 0.000022 0.002789 0.004515 -0.009035 35O 1s 0.001987 -0.000441 -0.005975 0.003772 -0.001382 0.002351 35O 2s 0.004869 -0.004173 -0.016546 0.010342 -0.006032 0.004840 35O 3s 0.002236 0.064927 0.044750 -0.047232 0.064871 0.006930 35O 4s -0.178620 -0.279952 0.247528 -0.026265 -0.212073 -0.168519 35O 5s -0.207274 0.331234 -0.510481 0.549927 -0.061403 0.405650 35O 1pz -0.014131 -0.072872 0.162181 -0.062110 0.029563 0.014172 35O 1px -0.003266 0.023117 -0.037314 0.026770 0.037751 0.031652 35O 1py 0.006808 -0.008762 0.036329 0.008031 -0.077619 -0.098036 35O 2pz 0.006410 0.055355 -0.161223 0.087458 -0.028949 0.062241 35O 2px -0.095567 -0.052277 0.017701 0.056990 -0.125987 -0.019133 35O 2py -0.006305 -0.032518 -0.047844 0.061968 0.032492 0.129508 35O 3pz -0.181752 -0.242588 1.007384 -0.288079 0.164179 0.122361 35O 3px -0.037461 -0.056869 -0.262712 0.093340 -0.002659 0.299247 35O 3py -0.357152 0.017247 0.398515 -0.045386 -0.223203 -0.123845 35O 1dz2 -0.005350 0.003682 -0.010473 0.002996 -0.003977 0.002820 35O 1dxz -0.002141 0.002244 0.003896 0.005676 0.000291 0.007844 35O 1dyz 0.005231 0.005848 -0.009870 0.013149 0.006274 0.008365 35O 1dx2y2 -0.004076 0.000655 0.001166 -0.000200 -0.000960 -0.001992 35O 1dxy 0.000455 0.007550 0.001841 0.007006 -0.000700 0.004244 35O 2dz2 -0.044894 0.033691 -0.174520 0.010321 -0.054084 -0.031133 35O 2dxz -0.083354 -0.070851 0.481223 0.047587 0.050366 0.197586 35O 2dyz 0.112335 0.033201 -0.063741 0.187179 0.072919 0.127609 35O 2dx2y2 -0.035027 0.079099 -0.105586 0.041654 0.087329 0.116833 35O 2dxy -0.075626 0.108497 0.135626 0.217861 -0.137494 0.006496 35O 1f0 -0.001930 0.004161 0.001625 0.000983 0.000889 0.003737 35O 1f+1 0.001671 0.000600 0.006462 0.001770 0.002612 0.008385 35O 1f-1 0.000185 0.002765 -0.002574 0.005861 0.005595 0.007241 35O 1f+2 0.000414 -0.002621 -0.000472 -0.004615 -0.002870 -0.006074 35O 1f-2 0.001685 -0.002927 -0.002053 0.001628 -0.003607 0.002441 35O 1f+3 0.005152 0.000590 0.001233 0.001182 -0.001653 0.003321 35O 1f-3 0.001858 0.006511 0.006581 0.003813 0.005453 0.003551 420 421 422 423 424 425 2.31827 2.32366 2.33835 2.34234 2.34708 2.35372 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s -0.000380 0.001697 -0.000189 -0.000725 -0.000095 -0.000247 0Rh 2s 0.003153 -0.012832 0.000688 0.006812 0.000612 0.001579 0Rh 3s -0.000319 0.002183 -0.000692 -0.000129 -0.000187 -0.000496 0Rh 4s -0.016190 0.065542 -0.003455 -0.035222 -0.003075 -0.008065 0Rh 5s 0.032484 -0.122559 0.003198 0.077174 0.004622 0.014093 0Rh 6s -0.031083 0.073724 0.010732 -0.113501 0.003655 -0.006321 0Rh 7s 0.194374 -0.210213 -0.100908 1.218391 -0.057734 0.062044 0Rh 8s -0.203660 0.606895 0.027013 -0.486111 -0.142696 -0.052706 0Rh 1pz 0.001995 -0.005348 0.000075 -0.005669 -0.000816 0.001552 0Rh 1px -0.003697 0.018249 0.002572 0.006657 -0.000314 -0.000007 0Rh 1py -0.002761 0.003579 -0.001306 0.001542 -0.000432 0.002488 0Rh 2pz -0.007678 0.019802 0.000548 0.019846 0.002731 -0.005471 0Rh 2px 0.013542 -0.066227 -0.008978 -0.023111 0.001179 0.000099 0Rh 2py 0.009399 -0.013283 0.004037 -0.005555 0.000880 -0.008828 0Rh 3pz 0.018488 -0.032352 -0.017821 -0.009456 0.001464 0.003318 0Rh 3px -0.019214 0.080919 0.003572 0.006841 -0.002316 -0.001655 0Rh 3py 0.001420 0.022438 0.009590 0.005848 0.013467 0.006737 0Rh 4pz -0.022852 -0.004624 0.071897 -0.099701 -0.025761 0.024526 0Rh 4px -0.015075 0.129481 0.048935 0.136022 0.001794 0.006787 0Rh 4py -0.072814 -0.000499 -0.069113 0.016618 -0.064861 0.033026 0Rh 5pz 0.042969 0.007623 -0.144710 0.195686 0.052298 -0.045960 0Rh 5px 0.027620 -0.247984 -0.095721 -0.291734 -0.004876 -0.018184 0Rh 5py 0.143869 0.003261 0.138069 -0.047203 0.136622 -0.058605 0Rh 6pz -0.314936 0.099184 0.026530 -0.178271 -0.011419 -0.012957 0Rh 6px 0.020670 -0.451719 -0.048829 0.780879 0.020412 0.102760 0Rh 6py -0.021092 -0.266957 -0.072525 0.226788 -0.063371 -0.084844 0Rh 1dz2 -0.001791 -0.009981 0.000659 -0.002250 0.011717 0.006161 0Rh 1dxz 0.002514 -0.018769 -0.009426 -0.001748 0.008101 0.000599 0Rh 1dyz 0.009709 0.001341 0.007695 -0.001487 -0.010239 0.005811 0Rh 1dx2y2 -0.010292 0.022393 -0.003651 0.005470 0.004892 0.006308 0Rh 1dxy 0.003643 0.010386 0.007687 -0.000732 0.008451 0.000884 0Rh 2dz2 -0.002438 0.002402 0.000459 0.000682 -0.001343 0.003052 0Rh 2dxz 0.001009 0.003029 -0.000232 0.002277 -0.000504 0.001149 0Rh 2dyz -0.007353 -0.001027 -0.003771 -0.000899 0.001025 0.000169 0Rh 2dx2y2 0.000449 -0.005382 -0.001840 -0.003677 -0.000534 0.001163 0Rh 2dxy -0.001301 -0.002299 -0.000319 -0.001545 0.001770 0.000409 0Rh 3dz2 0.016087 0.016477 -0.003476 0.003320 -0.026212 -0.030050 0Rh 3dxz -0.011170 0.037422 0.026563 -0.005092 -0.019910 -0.006610 0Rh 3dyz 0.006875 0.001166 -0.003701 0.008201 0.023353 -0.016708 0Rh 3dx2y2 0.026086 -0.036616 0.018267 0.001010 -0.011201 -0.022234 0Rh 3dxy -0.003805 -0.017844 -0.019203 0.008754 -0.030890 -0.004203 0Rh 4dz2 -0.041771 0.035618 0.000687 0.006218 -0.016423 0.038451 0Rh 4dxz 0.012281 0.049361 0.000060 0.028730 -0.007119 0.014381 0Rh 4dyz -0.115074 -0.018853 -0.063374 -0.015257 0.015446 0.003168 0Rh 4dx2y2 0.005278 -0.086358 -0.029366 -0.046248 -0.003917 0.014056 0Rh 4dxy -0.023445 -0.037924 -0.010626 -0.020296 0.024030 0.005209 0Rh 5dz2 0.211988 -0.207693 0.060597 0.018134 0.092697 -0.058279 0Rh 5dxz -0.012176 -0.359190 -0.078942 -0.050865 0.062405 -0.028894 0Rh 5dyz 0.526145 0.114500 0.369811 0.067771 -0.103148 0.030299 0Rh 5dx2y2 -0.074205 0.556837 0.126146 0.093703 0.002961 0.001526 0Rh 5dxy 0.128405 0.253888 0.134889 0.033922 -0.024728 -0.004372 0Rh 1f0 0.057016 -0.158858 -0.055897 0.123740 0.003115 0.018255 0Rh 1f+1 -0.070045 0.141496 0.004366 -0.069090 -0.004695 -0.037206 0Rh 1f-1 0.022151 0.066622 0.012888 0.051768 -0.062674 -0.034182 0Rh 1f+2 -0.026410 0.239451 -0.006271 -0.160629 0.015472 -0.001273 0Rh 1f-2 -0.091038 0.049899 -0.097077 -0.037957 -0.016516 -0.053381 0Rh 1f+3 -0.065358 0.291439 0.079455 -0.150106 0.038012 0.004819 0Rh 1f-3 -0.036533 0.147749 0.036586 -0.121400 -0.043240 -0.005887 1Rh 1s 0.000231 -0.001705 0.000215 -0.000663 0.000165 -0.000239 1Rh 2s -0.001731 0.012755 -0.001018 0.006393 -0.001170 0.001510 1Rh 3s 0.000305 -0.002273 0.000647 -0.000016 0.000261 -0.000486 1Rh 4s 0.008861 -0.065127 0.005165 -0.033089 0.005950 -0.007709 1Rh 5s -0.016693 0.121018 -0.007276 0.073430 -0.010500 0.013420 1Rh 6s 0.009836 -0.069038 -0.003533 -0.112247 0.003443 -0.005949 1Rh 7s 0.009947 0.160588 0.025974 1.217929 -0.021813 0.060905 1Rh 8s 0.127754 -0.592820 0.002324 -0.460851 0.176162 -0.044699 1Rh 1pz 0.004426 -0.006114 -0.000376 0.005768 -0.000895 -0.001577 1Rh 1px -0.005452 0.018470 0.002975 -0.006870 0.000078 -0.000105 1Rh 1py -0.000924 0.003518 -0.001225 -0.001769 0.000106 -0.002505 1Rh 2pz -0.016143 0.022488 0.002126 -0.020157 0.002995 0.005527 1Rh 2px 0.019713 -0.067003 -0.010377 0.023921 -0.000181 0.000302 1Rh 2py 0.002879 -0.013048 0.003738 0.006280 -0.001021 0.008851 1Rh 3pz 0.021583 -0.033716 -0.018550 0.008781 0.001581 -0.002690 1Rh 3px -0.022720 0.081355 0.003931 -0.008612 -0.001941 0.001265 1Rh 3py 0.006419 0.021912 0.010000 -0.004644 0.014728 -0.005994 1Rh 4pz 0.022394 -0.017581 0.063909 0.104837 -0.028156 -0.027670 1Rh 4px -0.044168 0.133263 0.057374 -0.134300 0.009998 -0.008021 1Rh 4py -0.047995 -0.000075 -0.068508 -0.026990 -0.056838 -0.036365 1Rh 5pz -0.036842 0.031656 -0.129273 -0.205985 0.057611 0.052755 1Rh 5px 0.089297 -0.257007 -0.113584 0.287994 -0.023124 0.020659 1Rh 5py 0.096940 0.003214 0.135428 0.068425 0.121436 0.065450 1Rh 6pz -0.424594 0.104884 0.013934 0.188366 -0.033376 0.003844 1Rh 6px -0.135426 -0.415046 -0.002929 -0.766857 0.076897 -0.101980 1Rh 6py -0.075199 -0.274989 -0.054004 -0.237846 -0.070624 0.077784 1Rh 1dz2 0.001448 0.010423 -0.000361 -0.003285 -0.011783 0.005730 1Rh 1dxz -0.000767 0.018086 0.009428 -0.001856 -0.007925 -0.000084 1Rh 1dyz -0.010005 -0.001264 -0.007187 -0.001960 0.009484 0.005689 1Rh 1dx2y2 0.009502 -0.022627 0.003513 0.006119 -0.005894 0.006224 1Rh 1dxy -0.000869 -0.010496 -0.007733 -0.001709 -0.008235 0.000271 1Rh 2dz2 0.002838 -0.002493 -0.000383 0.000833 0.000990 0.003138 1Rh 2dxz -0.000360 -0.003133 0.000123 0.002404 0.000307 0.001158 1Rh 2dyz 0.006701 0.000981 0.003886 -0.000528 -0.001155 0.000173 1Rh 2dx2y2 -0.000473 0.005420 0.002082 -0.003610 0.000698 0.001149 1Rh 2dxy 0.001095 0.002305 0.000440 -0.001626 -0.001730 0.000314 1Rh 3dz2 -0.016832 -0.017284 0.002323 0.005440 0.027929 -0.029264 1Rh 3dxz 0.003628 -0.035126 -0.026101 -0.005348 0.020289 -0.004789 1Rh 3dyz -0.003176 -0.001166 0.001793 0.007777 -0.020705 -0.016419 1Rh 3dx2y2 -0.023846 0.037101 -0.018937 -0.001049 0.013225 -0.021935 1Rh 3dxy -0.002810 0.018122 0.018796 0.011744 0.030133 -0.002119 1Rh 4dz2 0.046024 -0.036766 0.000490 0.008991 0.011877 0.039844 1Rh 4dxz -0.004234 -0.050566 -0.001413 0.030451 0.004611 0.014610 1Rh 4dyz 0.105794 0.018101 0.065219 -0.008731 -0.017382 0.003719 1Rh 4dx2y2 -0.005360 0.086691 0.032364 -0.045457 0.006000 0.013743 1Rh 4dxy 0.020338 0.037918 0.012279 -0.020846 -0.023629 0.004107 1Rh 5dz2 -0.213943 0.211716 -0.065306 -0.003939 -0.082530 -0.067809 1Rh 5dxz 0.005073 0.357647 0.080537 -0.057608 -0.057364 -0.034529 1Rh 5dyz -0.495135 -0.111704 -0.375082 0.028061 0.105563 0.020588 1Rh 5dx2y2 0.059973 -0.556352 -0.131060 0.096207 -0.010195 0.002886 1Rh 5dxy -0.108004 -0.253544 -0.139266 0.024891 0.026799 -0.006801 1Rh 1f0 0.055497 -0.161145 -0.046696 -0.121309 0.008715 -0.018040 1Rh 1f+1 -0.056962 0.140738 0.001968 0.064673 -0.013550 0.032461 1Rh 1f-1 -0.028840 0.069626 0.020064 -0.053006 -0.066761 0.031189 1Rh 1f+2 0.038344 0.220216 -0.014873 0.156223 0.004116 0.003221 1Rh 1f-2 -0.096976 0.046900 -0.096409 0.024299 -0.027047 0.049395 1Rh 1f+3 -0.060183 0.290112 0.070253 0.152065 0.029540 -0.005009 1Rh 1f-3 -0.035949 0.144300 0.028946 0.117665 -0.051494 0.003965 2C 1s 0.000989 0.001103 0.001288 0.003802 -0.001789 0.002810 2C 2s -0.003209 0.004629 0.003783 0.014920 -0.008531 0.007169 2C 3s -0.011193 -0.013131 0.006292 -0.005374 0.013062 -0.067365 2C 4s 0.217986 -0.107372 -0.250533 -0.656733 0.371092 0.033346 2C 5s 0.598678 -0.576866 0.241454 -0.525321 0.428480 -0.058514 2C 1pz -0.050508 -0.032955 0.058141 0.075012 -0.075319 0.012245 2C 1px -0.119034 0.049675 0.005307 0.065727 -0.087892 0.020245 2C 1py 0.023640 0.067385 -0.110536 -0.074305 0.111551 -0.115925 2C 2pz 0.112447 -0.020985 -0.273445 -0.658173 0.429149 0.165951 2C 2px 0.005026 0.066791 0.063707 -0.172964 0.072256 0.175694 2C 2py -0.114690 -0.214072 0.040711 -0.123568 -0.120619 -0.440227 2C 3pz 0.160969 -0.138906 0.060833 -0.079117 0.067591 0.082009 2C 3px -0.089410 0.109612 0.099637 0.206873 -0.168424 0.057367 2C 3py 0.095470 -0.061026 -0.074540 -0.115259 0.153441 -0.213861 2C 1dz2 0.036006 0.016622 -0.024606 -0.028862 0.054129 0.061998 2C 1dxz 0.050224 0.015658 -0.007285 -0.067203 0.051667 0.056576 2C 1dyz 0.004426 -0.003560 -0.001117 0.015336 -0.009072 -0.024977 2C 1dx2y2 -0.013236 0.034497 -0.037990 -0.039692 0.048588 0.031244 2C 1dxy -0.003802 -0.031485 0.055833 0.020168 -0.054094 0.022039 2C 2dz2 0.014003 -0.133871 0.146644 -0.003775 -0.176264 0.199323 2C 2dxz -0.106053 -0.031111 -0.089069 0.079251 0.001994 -0.439855 2C 2dyz -0.037372 0.040782 -0.141309 -0.262240 0.158656 -0.158698 2C 2dx2y2 -0.153242 0.036767 0.173475 0.176536 -0.315028 0.090839 2C 2dxy -0.131781 0.058665 0.046961 0.008283 -0.020962 0.498547 2C 1f0 -0.000295 0.066721 -0.072426 -0.055401 0.077290 -0.013284 2C 1f+1 -0.045442 -0.005903 0.065435 0.058635 -0.087785 0.086316 2C 1f-1 0.038998 -0.033912 0.008914 -0.030054 0.013415 0.017778 2C 1f+2 0.013579 -0.015610 0.011924 -0.011477 0.011581 0.045143 2C 1f-2 0.082690 -0.006232 -0.027909 -0.083000 0.081689 -0.016503 2C 1f+3 -0.030983 0.039667 -0.064374 -0.037083 0.055126 -0.078063 2C 1f-3 -0.079390 0.025973 0.013946 0.061993 -0.066717 -0.001300 3C 1s 0.001558 0.000965 0.001974 0.005005 0.001863 -0.003065 3C 2s 0.005954 0.005697 0.012967 0.018689 0.008912 -0.007408 3C 3s -0.082830 -0.019699 -0.015290 -0.055630 -0.059160 0.102622 3C 4s 0.207421 -0.126680 -0.537355 -0.576799 -0.100908 -0.258563 3C 5s -0.633609 -0.423178 -1.207262 -0.699397 -0.432041 0.150618 3C 1pz 0.019605 0.004819 -0.132220 -0.123019 -0.112127 0.083122 3C 1px 0.034466 0.112487 0.054440 0.008777 -0.008696 0.048009 3C 1py 0.060020 0.024867 -0.116736 -0.073619 -0.062418 -0.013976 3C 2pz -0.138050 -0.126285 -0.074961 -0.244244 -0.040034 0.397710 3C 2px 0.040742 -0.147619 -0.103882 -0.151354 -0.002299 0.051917 3C 2py -0.117216 -0.022147 0.385455 0.547231 0.110255 0.353902 3C 3pz -0.080182 -0.107040 -0.374956 -0.303855 -0.225675 0.167390 3C 3px -0.018178 0.081009 0.036425 0.026058 -0.022657 0.111982 3C 3py 0.097416 0.083904 0.167338 0.026132 -0.004202 0.065217 3C 1dz2 0.007854 0.014442 0.027129 0.001945 -0.007092 0.070683 3C 1dxz -0.041801 -0.071072 -0.011343 0.021340 0.029551 0.018632 3C 1dyz 0.003013 -0.000252 -0.028607 -0.023413 -0.009158 -0.035438 3C 1dx2y2 -0.038255 -0.023760 0.046191 0.023699 0.035322 0.064795 3C 1dxy -0.003014 0.010937 0.052166 0.016683 0.012857 0.030716 3C 2dz2 0.005479 -0.015072 -0.323790 -0.227723 -0.309921 0.423447 3C 2dxz 0.095839 0.066345 -0.060482 -0.150785 -0.165833 -0.067847 3C 2dyz -0.006072 0.011722 0.120774 0.121510 -0.014450 0.244526 3C 2dx2y2 0.142366 0.154153 0.123998 0.142956 -0.002346 -0.254519 3C 2dxy -0.110082 -0.100782 0.010720 0.172329 0.150993 -0.336968 3C 1f0 -0.031612 -0.030641 0.082181 0.089923 0.084634 -0.050627 3C 1f+1 0.029984 0.048396 0.066114 0.037287 0.016232 0.020884 3C 1f-1 0.036645 0.014382 -0.086770 -0.056878 -0.058686 -0.040031 3C 1f+2 0.018490 0.039838 0.084595 0.055772 0.035787 0.016654 3C 1f-2 -0.016899 -0.008783 0.020561 0.018874 0.019679 -0.023659 3C 1f+3 -0.045972 -0.067653 0.044147 0.055862 0.084547 -0.065684 3C 1f-3 -0.042192 -0.080118 -0.096893 -0.046029 -0.028111 0.022611 4C 1s -0.001577 0.000917 0.003552 0.008188 -0.005554 -0.000293 4C 2s -0.008137 0.003847 0.011585 0.029230 -0.020162 -0.003270 4C 3s 0.156967 0.001175 -0.069266 -0.304559 0.144624 0.064285 4C 4s -0.550328 -0.198570 0.004209 0.440241 -0.065559 0.004366 4C 5s -0.814095 0.023188 -0.203009 0.286219 0.007927 0.128014 4C 1pz 0.056875 0.004741 -0.012388 -0.059368 0.045965 0.045399 4C 1px 0.083858 -0.030015 0.008511 -0.049629 0.037534 -0.001988 4C 1py 0.046208 -0.031768 0.030133 -0.019867 0.006115 0.027738 4C 2pz -0.098921 -0.092024 -0.242463 -0.353074 0.207399 -0.196771 4C 2px -0.255482 -0.101754 0.103153 0.064471 0.058527 0.010497 4C 2py -0.153534 -0.081136 -0.127674 -0.207558 0.105743 0.008890 4C 3pz 0.130671 -0.180863 0.120619 0.127597 0.196823 -0.032896 4C 3px -0.109243 -0.312548 -0.142896 -0.036080 0.153912 -0.065058 4C 3py -0.027288 -0.328535 0.172166 0.259372 -0.046372 0.035547 4C 1dz2 0.017970 0.001876 -0.036686 -0.027202 0.039717 -0.079296 4C 1dxz 0.058009 -0.017746 -0.029991 -0.033597 0.031076 -0.029503 4C 1dyz 0.036733 0.002352 0.020236 -0.010029 -0.003749 0.064002 4C 1dx2y2 -0.020360 0.014230 -0.025342 0.021482 -0.018152 -0.080120 4C 1dxy 0.004258 -0.026586 0.002896 0.016497 0.001499 -0.000470 4C 2dz2 0.079348 0.086510 0.163819 0.328495 -0.300537 0.261433 4C 2dxz -0.143970 0.140139 0.131740 0.300688 -0.082930 0.202227 4C 2dyz -0.114770 0.070802 0.057090 0.426702 -0.150445 -0.026762 4C 2dx2y2 -0.005434 -0.038330 -0.194582 -0.395105 0.372899 0.047980 4C 2dxy -0.128222 -0.073759 0.124080 0.182841 -0.140530 -0.172277 4C 1f0 0.020826 0.012890 -0.010163 -0.022130 0.020889 0.073354 4C 1f+1 -0.023382 0.019791 -0.005427 -0.012992 -0.000582 0.046112 4C 1f-1 0.017019 -0.005396 -0.005390 -0.021029 0.012769 0.009385 4C 1f+2 0.025086 0.010273 -0.014939 -0.042156 0.043478 0.081099 4C 1f-2 -0.005548 0.022539 0.015160 -0.014468 -0.006916 0.027098 4C 1f+3 0.003019 -0.004957 0.002032 -0.003030 -0.021886 -0.022600 4C 1f-3 -0.012657 -0.008973 0.014896 0.018808 -0.033175 -0.012442 5C 1s 0.004279 0.002967 0.008493 0.006711 0.003473 0.000749 5C 2s 0.013471 0.011080 0.032018 0.023093 0.012117 0.005520 5C 3s -0.031611 -0.114179 -0.288894 -0.232010 -0.016001 -0.133513 5C 4s -0.411965 0.204190 0.329774 0.425633 -0.329274 0.271770 5C 5s 0.024321 0.349559 0.378158 0.562876 0.193395 -0.100598 5C 1pz -0.028151 -0.016840 -0.031148 -0.000386 -0.003154 -0.010556 5C 1px -0.074113 -0.064159 -0.069772 -0.009423 -0.006869 -0.047829 5C 1py 0.021863 0.021950 0.105669 0.046579 0.045771 0.035941 5C 2pz -0.117128 0.079531 -0.021397 -0.158193 -0.044573 -0.064797 5C 2px 0.513963 -0.210440 -0.120448 -0.208315 -0.065758 0.099111 5C 2py 0.047818 -0.038053 0.119425 0.309033 0.132711 -0.086896 5C 3pz -0.290802 -0.007901 -0.162692 0.197204 0.067422 0.045123 5C 3px 0.217286 -0.192599 -0.060617 0.120703 0.070911 0.001394 5C 3py 0.173598 -0.041559 0.514835 -0.016278 0.105687 -0.129288 5C 1dz2 0.000258 0.002357 0.004792 0.018471 0.037422 -0.082039 5C 1dxz -0.009684 -0.036706 -0.016186 -0.000344 -0.008610 -0.056980 5C 1dyz -0.019399 0.003053 -0.001475 -0.021676 -0.020487 0.063766 5C 1dx2y2 -0.006820 0.005326 0.077361 0.049840 0.049892 -0.033403 5C 1dxy 0.019289 0.020339 0.049934 0.024885 0.003048 0.012157 5C 2dz2 0.010427 0.054629 0.032441 0.011559 -0.046342 0.008057 5C 2dxz 0.065689 -0.086044 0.232248 0.328838 0.224022 0.148536 5C 2dyz 0.107055 -0.072401 -0.222342 -0.351056 -0.063077 -0.162131 5C 2dx2y2 -0.030607 -0.136906 -0.393609 -0.567800 -0.340607 0.267133 5C 2dxy -0.401996 -0.132085 -0.322422 -0.276001 0.009467 0.026548 5C 1f0 0.018091 0.014458 0.025680 0.017172 0.000434 -0.003438 5C 1f+1 -0.010120 -0.006706 0.021290 0.023932 0.028784 0.021881 5C 1f-1 0.018970 0.019734 -0.020260 -0.002192 0.010826 -0.109909 5C 1f+2 -0.007369 0.005006 0.006915 0.009381 0.005036 0.010249 5C 1f-2 0.000485 -0.008457 -0.025124 -0.009590 -0.018541 -0.040115 5C 1f+3 0.007422 0.015271 0.017280 0.002969 0.009501 -0.032209 5C 1f-3 -0.011847 -0.010307 -0.015368 -0.005936 -0.015678 0.036525 6C 1s -0.003139 -0.003152 -0.008649 0.005775 -0.004099 0.000768 6C 2s -0.009473 -0.011748 -0.032504 0.019665 -0.014504 0.005493 6C 3s -0.016518 0.127337 0.294372 -0.205540 0.039590 -0.132474 6C 4s 0.499588 -0.237844 -0.346117 0.408186 0.308544 0.273764 6C 5s 0.019336 -0.395179 -0.435806 0.516626 -0.196358 -0.136176 6C 1pz -0.033373 -0.018394 -0.031539 -0.002866 -0.002792 0.008920 6C 1px -0.049506 -0.075196 -0.066292 0.004706 -0.016225 0.047022 6C 1py 0.015690 0.023417 0.108147 -0.035538 0.051054 -0.032166 6C 2pz -0.060567 0.077718 -0.020645 0.156694 -0.066107 0.077337 6C 2px 0.413876 -0.180617 -0.143861 0.190764 -0.061196 -0.112332 6C 2py 0.009673 -0.042700 0.127469 -0.295538 0.158753 0.076758 6C 3pz -0.335936 -0.029784 -0.153088 -0.200858 0.091413 -0.055724 6C 3px 0.220767 -0.205771 -0.051410 -0.105747 0.078575 -0.000285 6C 3py 0.245701 -0.028247 0.520276 0.051960 0.082922 0.147534 6C 1dz2 -0.015332 -0.000211 -0.007620 0.016349 -0.033659 -0.084005 6C 1dxz 0.003875 0.038579 0.014400 0.001137 0.012928 -0.057323 6C 1dyz 0.027270 -0.004643 0.004287 -0.020400 0.018223 0.063555 6C 1dx2y2 0.004653 -0.004193 -0.080292 0.040372 -0.052015 -0.036735 6C 1dxy -0.018090 -0.019716 -0.051303 0.021747 -0.006087 0.012371 6C 2dz2 -0.030479 -0.048427 -0.031730 0.010108 0.047182 0.011277 6C 2dxz 0.024068 0.086952 -0.247453 0.301373 -0.259610 0.157400 6C 2dyz -0.152844 0.075477 0.239496 -0.327090 0.091120 -0.159405 6C 2dx2y2 0.021441 0.133093 0.424514 -0.514457 0.363365 0.278056 6C 2dxy 0.340655 0.153068 0.328256 -0.251962 0.017761 0.017005 6C 1f0 0.018151 0.015519 0.026475 -0.015115 0.001715 0.003693 6C 1f+1 -0.014041 -0.008180 0.022882 -0.020413 0.031315 -0.021382 6C 1f-1 0.034432 0.020049 -0.018402 0.001131 0.003558 0.110582 6C 1f+2 -0.012962 0.004790 0.007646 -0.008813 0.005559 -0.010341 6C 1f-2 0.009465 -0.006690 -0.025209 0.007108 -0.021889 0.041060 6C 1f+3 0.014048 0.012793 0.017805 -0.001129 0.007521 0.032680 6C 1f-3 -0.012702 -0.012728 -0.015150 0.002959 -0.015192 -0.037440 7C 1s 0.002647 -0.001295 -0.004243 0.008222 0.005244 0.000052 7C 2s 0.011895 -0.005170 -0.014093 0.029466 0.019220 -0.001937 7C 3s -0.178951 0.006138 0.095893 -0.304009 -0.131904 0.053307 7C 4s 0.474577 0.218138 -0.039893 0.417229 0.013844 0.005816 7C 5s 0.944112 -0.020590 0.220937 0.305672 -0.061155 0.136329 7C 1pz 0.056123 0.004504 -0.017610 0.062547 0.047938 -0.040017 7C 1px 0.119630 -0.033826 0.003097 0.053284 0.035251 0.003606 7C 1py 0.077918 -0.037340 0.029242 0.023840 0.007088 -0.025648 7C 2pz -0.053332 -0.106556 -0.267088 0.335847 0.176179 0.193022 7C 2px -0.355088 -0.101513 0.112023 -0.042073 0.056124 0.011422 7C 2py -0.180354 -0.087088 -0.142250 0.205723 0.092113 -0.008751 7C 3pz 0.185838 -0.158067 0.137958 -0.090760 0.195351 0.034924 7C 3px -0.151687 -0.301091 -0.149199 0.040181 0.142544 0.070538 7C 3py 0.044488 -0.328149 0.200816 -0.236033 -0.041417 -0.043047 7C 1dz2 -0.026469 -0.001002 0.037712 -0.025348 -0.033689 -0.083409 7C 1dxz -0.064032 0.018789 0.032239 -0.032963 -0.028651 -0.031918 7C 1dyz -0.029830 -0.002735 -0.018432 -0.011993 0.000417 0.063423 7C 1dx2y2 0.022561 -0.016655 0.023075 0.025096 0.021585 -0.079294 7C 1dxy -0.010068 0.027380 -0.004719 0.016270 -0.001745 0.000292 7C 2dz2 -0.061923 -0.096891 -0.177799 0.327273 0.257711 0.282978 7C 2dxz 0.294888 -0.167519 -0.145964 0.290355 0.056652 0.205221 7C 2dyz 0.179509 -0.088456 -0.083625 0.429787 0.121508 -0.015113 7C 2dx2y2 0.049621 0.036347 0.223698 -0.405190 -0.353539 0.040076 7C 2dxy 0.075619 0.087329 -0.149442 0.181197 0.152141 -0.173263 7C 1f0 -0.012424 0.018626 -0.014085 0.023008 0.023993 -0.073349 7C 1f+1 -0.029988 0.022363 -0.008895 0.012824 0.003196 -0.046969 7C 1f-1 0.014190 -0.004128 -0.007280 0.021986 0.012711 -0.010621 7C 1f+2 0.009953 0.012364 -0.021073 0.044084 0.048301 -0.079750 7C 1f-2 0.001216 0.020962 0.013033 0.015403 -0.005241 -0.027397 7C 1f+3 0.022914 -0.008282 0.002367 0.001979 -0.022916 0.022295 7C 1f-3 -0.004551 -0.010298 0.017055 -0.019528 -0.033295 0.011415 8C 1s -0.001172 -0.001031 -0.002317 0.004698 -0.002005 -0.003022 8C 2s -0.004352 -0.006019 -0.014185 0.017036 -0.009742 -0.007530 8C 3s 0.082988 0.020453 0.022464 -0.049483 0.056389 0.103662 8C 4s -0.288901 0.131712 0.551485 -0.531732 0.157566 -0.260236 8C 5s 0.624238 0.494906 1.267281 -0.589850 0.451684 0.201338 8C 1pz 0.023842 0.011746 -0.140507 0.106199 -0.116549 -0.086592 8C 1px 0.028126 0.118878 0.053405 -0.006769 -0.001966 -0.047315 8C 1py 0.064567 0.029032 -0.120400 0.061288 -0.068459 0.009816 8C 2pz -0.167898 -0.137110 -0.087867 0.234992 -0.031443 -0.396661 8C 2px 0.051473 -0.168287 -0.106163 0.137412 -0.013039 -0.060716 8C 2py -0.222352 -0.023214 0.407713 -0.513913 0.168594 -0.359857 8C 3pz -0.078713 -0.112740 -0.393897 0.262247 -0.235331 -0.179074 8C 3px -0.052200 0.082382 0.035829 -0.029507 -0.004562 -0.118506 8C 3py 0.087834 0.101175 0.172906 -0.018775 -0.002876 -0.059667 8C 1dz2 0.003720 -0.015697 -0.025023 0.000152 0.001628 0.070638 8C 1dxz 0.047833 0.076662 0.008602 0.021549 -0.031408 0.019228 8C 1dyz -0.012702 0.001032 0.029483 -0.020443 0.013751 -0.035170 8C 1dx2y2 0.048427 0.027555 -0.046992 0.018717 -0.040561 0.063544 8C 1dxy 0.008899 -0.012672 -0.052853 0.011847 -0.017951 0.029067 8C 2dz2 0.025038 0.004363 0.342664 -0.185885 0.308637 0.442408 8C 2dxz -0.123972 -0.080496 0.066967 -0.138889 0.174786 -0.078830 8C 2dyz 0.060057 -0.020300 -0.123348 0.113385 -0.013855 0.240996 8C 2dx2y2 -0.162346 -0.162170 -0.132012 0.132338 0.007241 -0.245614 8C 2dxy 0.078380 0.110403 -0.025877 0.162132 -0.138651 -0.349639 8C 1f0 -0.035269 -0.034977 0.088272 -0.078822 0.089023 0.053249 8C 1f+1 0.024839 0.049977 0.067207 -0.031326 0.020978 -0.021879 8C 1f-1 0.049844 0.016290 -0.089949 0.046987 -0.065987 0.036517 8C 1f+2 0.013492 0.041331 0.085971 -0.046870 0.040059 -0.015511 8C 1f-2 -0.015128 -0.008255 0.024433 -0.016739 0.020526 0.026227 8C 1f+3 -0.043260 -0.072111 0.050938 -0.048332 0.084877 0.069247 8C 1f-3 -0.043759 -0.082952 -0.098034 0.036444 -0.030712 -0.023835 9C 1s -0.000171 -0.001286 -0.001410 0.003827 0.001362 0.002865 9C 2s 0.006517 -0.005368 -0.004303 0.015241 0.007130 0.007642 9C 3s -0.011708 0.016522 -0.011317 -0.009360 -0.008505 -0.069396 9C 4s -0.212653 0.119120 0.304090 -0.644231 -0.327207 0.021806 9C 5s -0.920982 0.591639 -0.248667 -0.608565 -0.379402 -0.093974 9C 1pz -0.022426 -0.038944 0.066788 -0.073220 -0.073175 -0.018047 9C 1px -0.135393 0.051328 0.011590 -0.071624 -0.083782 -0.026668 9C 1py -0.017622 0.076782 -0.117884 0.068720 0.102674 0.122007 9C 2pz 0.019113 -0.009796 -0.330610 0.657828 0.403232 -0.156425 9C 2px 0.038333 0.063464 0.041134 0.184695 0.078696 -0.169130 9C 2py 0.090313 -0.255934 0.053264 0.113795 -0.170103 0.439835 9C 3pz 0.204147 -0.140012 0.061459 0.098997 0.062844 -0.080511 9C 3px -0.111407 0.118342 0.115529 -0.210627 -0.155486 -0.070784 9C 3py 0.152449 -0.060656 -0.072043 0.113613 0.128104 0.224528 9C 1dz2 0.001272 -0.022714 0.029098 -0.029158 -0.056549 0.060001 9C 1dxz -0.050807 -0.015861 0.016599 -0.071474 -0.056214 0.052180 9C 1dyz -0.009827 0.004414 -0.000638 0.015357 0.009173 -0.024558 9C 1dx2y2 0.045176 -0.041076 0.044950 -0.040301 -0.051541 0.029628 9C 1dxy -0.035653 0.038432 -0.057929 0.017537 0.051703 0.023339 9C 2dz2 -0.104656 0.152846 -0.154908 -0.009718 0.173437 0.224183 9C 2dxz 0.100830 0.033974 0.065248 0.097312 0.036713 -0.434771 9C 2dyz 0.025406 -0.037686 0.166003 -0.255697 -0.140295 -0.183683 9C 2dx2y2 0.066152 -0.020706 -0.185899 0.178638 0.299559 0.082110 9C 2dxy 0.253498 -0.077946 -0.042023 0.002699 -0.000447 0.513098 9C 1f0 -0.047029 0.076030 -0.080483 0.052700 0.076953 0.018764 9C 1f+1 -0.035914 -0.007137 0.068737 -0.056773 -0.080561 -0.090673 9C 1f-1 0.050090 -0.037017 0.008606 0.030764 0.010506 -0.019378 9C 1f+2 0.007493 -0.014944 0.010252 0.011781 0.012218 -0.045675 9C 1f-2 0.083547 -0.006906 -0.034410 0.085626 0.077916 0.022378 9C 1f+3 -0.050914 0.043854 -0.070651 0.035943 0.053800 0.082799 9C 1f-3 -0.086020 0.028787 0.017042 -0.065157 -0.063567 -0.000504 10H 1s -0.142210 0.104088 -0.038246 0.067597 -0.057704 -0.024979 10H 2s 0.137347 -0.220326 -0.088767 -0.035717 0.179506 -0.230022 10H 3s -0.064909 0.085344 -0.094866 -0.000316 0.015170 -0.000879 10H 1pz 0.028857 -0.105967 0.106978 0.086550 -0.094766 0.153803 10H 1px -0.041712 0.027950 0.061951 0.012429 -0.078422 0.132587 10H 1py 0.121958 0.061843 -0.215103 -0.156760 0.266091 -0.350746 11H 1s 0.266334 0.057260 -0.214159 -0.313429 0.378751 -0.118922 11H 2s -0.465117 0.095654 0.314085 0.325089 -0.448004 0.810032 11H 3s 0.103573 0.140676 -0.122152 0.016314 0.102938 -0.061915 11H 1pz -0.079191 -0.036377 0.156783 0.131065 -0.178471 0.344931 11H 1px -0.131511 0.132821 -0.050104 -0.023849 0.002158 0.064934 11H 1py -0.056363 0.026533 -0.029274 0.034148 -0.050230 -0.083277 12H 1s 0.086458 -0.205943 0.258071 0.131572 -0.227647 0.163869 12H 2s -0.342002 0.245602 -0.258050 0.003756 0.008921 -0.759835 12H 3s -0.026678 -0.073586 0.143762 0.247440 -0.208875 0.080920 12H 1pz -0.048129 0.021837 -0.071293 -0.003204 0.077376 -0.108255 12H 1px -0.216245 0.035552 0.092080 0.122383 -0.232543 0.108477 12H 1py -0.010501 0.052874 -0.107398 -0.031875 0.081748 -0.366562 13H 1s 0.105301 0.179415 0.165647 0.067668 0.019026 0.015917 13H 2s -0.168191 -0.172829 -0.143439 -0.185463 -0.130724 0.257163 13H 3s 0.116898 0.124634 0.083710 0.040871 0.012220 -0.035476 13H 1pz 0.031257 0.030286 -0.232586 -0.212591 -0.241481 0.293893 13H 1px 0.043919 0.053347 -0.124638 -0.064788 -0.092641 0.082361 13H 1py 0.119389 0.098124 -0.071624 -0.098406 -0.121621 0.112259 14H 1s -0.204920 -0.283110 0.019970 0.107225 0.177012 -0.092057 14H 2s 0.199578 0.326936 0.072718 -0.120079 -0.192286 0.661360 14H 3s -0.055654 -0.140380 0.144038 0.176285 0.139512 -0.029222 14H 1pz 0.044949 0.005754 -0.224593 -0.195411 -0.244005 0.327726 14H 1px 0.006946 0.074065 0.146165 0.077149 0.073582 0.094257 14H 1py -0.050245 -0.052656 -0.057310 -0.025688 0.041810 -0.053975 15H 1s 0.076367 0.009669 -0.405580 -0.305756 -0.296164 0.040442 15H 2s 0.033602 0.139963 0.749572 0.576675 0.587456 -0.687936 15H 3s 0.172819 0.106802 -0.016337 0.045796 -0.060669 0.024609 15H 1pz -0.023830 -0.043274 0.001986 0.004600 0.022015 0.079268 15H 1px 0.075833 0.159646 0.080713 0.025747 0.009057 0.015665 15H 1py 0.028604 0.007314 -0.231895 -0.200200 -0.217176 0.286905 16H 1s -0.271097 -0.054041 -0.018588 -0.045369 0.029707 0.030926 16H 2s 0.922559 0.120861 0.052332 0.160788 -0.046688 -0.101354 16H 3s -0.384489 -0.109411 -0.061648 -0.117746 0.075519 0.027995 16H 1pz 0.391925 -0.018204 0.016254 -0.006836 0.017714 -0.051083 16H 1px -0.120903 -0.048926 -0.014131 -0.070579 0.057037 0.002715 16H 1py 0.199963 0.074882 0.038333 0.090102 -0.036317 -0.013718 17H 1s 0.272695 -0.059859 0.010407 0.021483 0.026052 -0.047994 17H 2s -0.928448 0.147253 -0.044985 -0.053867 -0.039684 0.163305 17H 3s 0.396175 -0.091410 0.047612 -0.036120 0.061533 -0.068906 17H 1pz 0.256151 0.072185 0.069711 0.101440 -0.056302 -0.010241 17H 1px 0.293192 -0.039200 -0.005718 0.027917 0.035681 -0.059562 17H 1py -0.248924 0.071049 -0.005148 0.027354 -0.026277 0.045206 18H 1s -0.239850 0.057727 -0.014954 0.021035 -0.016306 -0.041595 18H 2s 0.844330 -0.145383 0.059339 -0.056647 0.004456 0.141262 18H 3s -0.363746 0.091069 -0.050034 -0.041357 -0.042752 -0.060259 18H 1pz 0.252793 0.069687 0.075964 -0.103424 -0.055444 0.004965 18H 1px 0.265672 -0.038986 0.000773 -0.029149 0.024351 0.052581 18H 1py -0.242518 0.073250 -0.006175 -0.029894 -0.015329 -0.038473 19H 1s 0.266229 0.055496 0.023397 -0.051407 -0.034341 0.021016 19H 2s -0.906765 -0.128018 -0.070888 0.177908 0.062974 -0.071298 19H 3s 0.371746 0.112189 0.070469 -0.126473 -0.078046 0.013075 19H 1pz 0.383631 -0.018712 0.019024 0.005323 0.005669 0.039915 19H 1px -0.121027 -0.049729 -0.018232 0.076291 0.054487 0.001207 19H 1py 0.189865 0.077270 0.044032 -0.093777 -0.035629 0.008353 20H 1s -0.101918 -0.020966 0.424954 -0.258576 0.319357 0.054242 20H 2s -0.079674 -0.123749 -0.790841 0.485026 -0.591859 -0.717564 20H 3s -0.165760 -0.124921 0.015600 0.048211 0.057956 0.027002 20H 1pz -0.039744 -0.042339 0.001916 -0.003370 0.028905 -0.077088 20H 1px 0.071736 0.166870 0.080011 -0.020502 0.014867 -0.016355 20H 1py 0.010124 0.015942 -0.246736 0.169551 -0.216435 -0.299357 21H 1s 0.211529 0.304053 -0.031157 0.095823 -0.177690 -0.097847 21H 2s -0.137769 -0.343902 -0.057164 -0.107446 0.160866 0.677549 21H 3s 0.076330 0.145246 -0.160315 0.159626 -0.152090 -0.035607 21H 1pz 0.023761 0.015555 -0.239264 0.163410 -0.240423 -0.341111 21H 1px -0.010065 0.070774 0.151255 -0.066133 0.088266 -0.093383 21H 1py -0.045532 -0.055278 -0.056403 0.022434 0.037429 0.058576 22H 1s -0.097993 -0.184033 -0.165903 0.054526 -0.030348 0.016175 22H 2s 0.185516 0.159173 0.156030 -0.172966 0.131064 0.244956 22H 3s -0.124959 -0.130801 -0.087057 0.032990 -0.012714 -0.039640 22H 1pz 0.013749 0.046117 -0.251492 0.183290 -0.241863 -0.303110 22H 1px 0.040211 0.055640 -0.128343 0.047589 -0.093254 -0.088123 22H 1py 0.115318 0.106374 -0.080007 0.084939 -0.121429 -0.122612 23H 1s -0.232013 0.235197 -0.278594 0.118406 0.220516 0.176693 23H 2s 0.347377 -0.253318 0.258181 0.039996 0.028834 -0.778923 23H 3s -0.029237 0.085327 -0.166019 0.253525 0.199715 0.096152 23H 1pz -0.075379 0.028012 -0.074581 0.000896 0.075016 0.115877 23H 1px -0.190227 0.029192 0.103099 -0.126955 -0.221433 -0.121581 23H 1py 0.005731 0.053149 -0.106228 0.019857 0.057478 0.378053 24H 1s -0.200193 -0.071480 0.246006 -0.317101 -0.366270 -0.144308 24H 2s 0.521987 -0.102789 -0.324427 0.315513 0.383799 0.849738 24H 3s 0.013926 -0.161417 0.134132 0.023123 -0.108505 -0.065968 24H 1pz -0.072815 -0.039178 0.166440 -0.123367 -0.156119 -0.364254 24H 1px -0.188572 0.143694 -0.059088 0.021056 0.012392 -0.064305 24H 1py -0.061700 0.029751 -0.025636 -0.039583 -0.054313 0.080078 25H 1s 0.193004 -0.113383 0.030834 0.077302 0.058860 -0.020508 25H 2s -0.122394 0.219103 0.084885 -0.039400 -0.157458 -0.223444 25H 3s 0.116179 -0.089925 0.097681 0.011657 -0.013640 0.000269 25H 1pz 0.058073 -0.113458 0.117552 -0.080038 -0.086342 -0.167788 25H 1px -0.016855 0.021262 0.063576 -0.012460 -0.070147 -0.139375 25H 1py 0.080351 0.072849 -0.229085 0.149931 0.244627 0.368754 26O 1s -0.004670 -0.000948 -0.002330 0.000029 0.000337 -0.001513 26O 2s -0.014058 -0.002775 -0.006720 -0.001267 0.001171 -0.002759 26O 3s 0.056412 0.015070 0.020002 0.017575 0.006566 -0.020485 26O 4s 0.131815 -0.073734 0.115066 -0.012454 -0.104259 0.229370 26O 5s 0.147083 0.613673 -0.190996 0.023024 -0.278280 -0.163289 26O 1pz -0.038002 0.024544 0.003104 0.001787 -0.040103 -0.041614 26O 1px 0.001101 -0.040237 0.042320 0.069295 -0.047546 0.000320 26O 1py -0.013379 0.052744 -0.077118 -0.062661 0.079413 -0.017837 26O 2pz 0.081411 -0.042061 0.001518 -0.047826 0.068447 0.020507 26O 2px -0.101883 0.021446 -0.064378 -0.054568 0.104731 -0.076721 26O 2py -0.023125 -0.089046 0.063549 0.041021 -0.018823 0.031735 26O 3pz -0.382061 -0.074067 -0.288901 -0.259597 0.072926 -0.120774 26O 3px -0.276396 -0.241137 0.076125 -0.073334 0.044809 0.048300 26O 3py -0.232714 0.087344 -0.223839 -0.373254 0.299148 0.054868 26O 1dz2 -0.003759 -0.002028 -0.002967 -0.000162 0.001658 -0.003220 26O 1dxz -0.001127 -0.002792 0.000523 0.005680 -0.000789 -0.002908 26O 1dyz -0.000170 0.002363 -0.001237 0.001327 -0.000686 -0.002310 26O 1dx2y2 -0.003594 -0.001236 -0.001738 -0.000121 0.000310 -0.001102 26O 1dxy -0.002276 -0.002227 0.000627 0.005466 -0.004020 -0.001836 26O 2dz2 -0.114022 -0.064890 -0.077516 -0.015600 0.077171 -0.056545 26O 2dxz -0.062559 0.087211 0.020224 0.172279 -0.039368 0.032195 26O 2dyz -0.074950 0.077646 -0.035422 0.026999 -0.006679 0.039295 26O 2dx2y2 0.008019 0.050951 -0.109491 -0.109829 0.119144 -0.014593 26O 2dxy -0.065165 0.013727 0.060545 0.179493 -0.196389 -0.091284 26O 1f0 -0.003501 0.000994 0.001984 -0.000510 -0.002454 0.002738 26O 1f+1 0.006331 -0.001821 0.000851 -0.006770 0.000477 -0.000143 26O 1f-1 0.002844 -0.000717 0.000242 -0.002191 0.000590 -0.000241 26O 1f+2 0.003829 0.001848 -0.001291 0.003484 -0.002708 -0.004561 26O 1f-2 0.005474 -0.001213 -0.000599 -0.002975 0.002019 0.002864 26O 1f+3 0.004683 -0.002947 0.002335 -0.001300 0.002291 0.007840 26O 1f-3 0.005618 -0.001167 -0.001649 -0.007912 0.002982 0.001772 27O 1s 0.000234 0.000923 0.003045 0.000281 -0.000952 0.001559 27O 2s 0.000406 0.002543 0.008308 0.001708 -0.002446 0.002649 27O 3s 0.013772 -0.004632 -0.035874 -0.037647 -0.011146 0.026025 27O 4s -0.173261 -0.131030 -0.042670 0.249834 0.181012 -0.253208 27O 5s -0.064758 0.667918 0.652666 -0.025892 0.124115 0.060558 27O 1pz 0.030065 0.107236 -0.000923 -0.079840 -0.057471 0.004443 27O 1px 0.001093 -0.006205 0.015703 0.028246 0.007621 0.005899 27O 1py 0.053947 -0.024776 -0.042384 0.026240 -0.031085 -0.031576 27O 2pz -0.049555 -0.132711 -0.023108 0.060604 0.028300 -0.038090 27O 2px 0.106998 -0.019345 -0.047303 -0.125911 -0.110084 0.093579 27O 2py -0.041798 0.066446 0.132983 0.038702 0.056841 -0.014370 27O 3pz 0.198834 0.304771 0.002056 -0.217934 -0.083108 -0.078193 27O 3px 0.106713 -0.036434 -0.149008 -0.155436 -0.120307 -0.025482 27O 3py 0.003524 -0.130525 -0.096429 0.229730 0.146936 -0.049046 27O 1dz2 0.000969 0.000758 -0.006393 0.000344 0.002647 -0.004731 27O 1dxz -0.002409 -0.001684 -0.000635 0.003270 0.002720 0.001067 27O 1dyz 0.000607 -0.003740 -0.000626 0.002530 -0.002076 -0.000840 27O 1dx2y2 0.001559 -0.000432 -0.000147 0.001053 0.003798 -0.000835 27O 1dxy -0.000020 0.000181 -0.004083 -0.003420 -0.000878 -0.003630 27O 2dz2 -0.019833 -0.062713 -0.142584 -0.016809 0.040764 -0.103106 27O 2dxz -0.048265 -0.046786 0.108675 0.189312 0.132146 0.068583 27O 2dyz -0.044080 -0.057341 -0.015917 0.037285 -0.025142 0.004314 27O 2dx2y2 -0.058895 0.012300 0.016206 -0.003777 0.111539 -0.003764 27O 2dxy -0.157977 -0.178832 -0.219874 -0.180597 -0.046085 0.022649 27O 1f0 0.001290 0.002948 0.002007 -0.003269 0.000501 0.005026 27O 1f+1 -0.003351 -0.002730 -0.004980 -0.003799 -0.000916 -0.005831 27O 1f-1 -0.000274 0.000149 -0.001389 -0.000605 0.002742 -0.001211 27O 1f+2 -0.001049 -0.001537 0.001414 -0.000591 0.000474 -0.004880 27O 1f-2 -0.000665 0.004016 0.003125 0.003426 0.001868 0.004964 27O 1f+3 -0.005061 -0.004031 -0.009486 -0.004294 -0.000129 -0.000924 27O 1f-3 0.000542 0.000073 -0.001416 -0.001947 -0.002098 0.003238 28O 1s -0.002380 0.001048 0.000156 -0.000259 0.000135 -0.000624 28O 2s -0.006355 0.003028 0.000828 0.000300 0.000831 -0.000984 28O 3s 0.037789 -0.022349 -0.014452 -0.034172 0.003334 -0.012530 28O 4s -0.185495 0.114378 0.050097 0.276560 -0.080336 0.114059 28O 5s 0.280252 -0.104079 0.363988 -0.030707 -0.261744 0.000758 28O 1pz -0.029929 0.008857 -0.023668 -0.058086 0.028259 0.008140 28O 1px 0.035344 -0.019998 -0.008859 -0.069059 0.056346 0.003606 28O 1py -0.014328 -0.068333 0.059580 0.011086 -0.070534 -0.041239 28O 2pz 0.047873 -0.031839 -0.039279 0.010061 0.046275 -0.084973 28O 2px -0.097153 0.040714 0.051119 0.137880 -0.085474 0.031685 28O 2py 0.023155 0.072362 -0.084674 -0.018488 0.066844 0.010503 28O 3pz 0.111869 -0.119311 -0.087903 -0.556822 0.172521 0.103056 28O 3px 0.251099 0.044643 0.127259 -0.030908 0.021654 -0.017159 28O 3py 0.141450 -0.111587 0.181437 -0.246793 0.068999 0.018908 28O 1dz2 -0.005187 0.001363 0.000259 0.002607 -0.007962 0.001119 28O 1dxz 0.004412 -0.002589 -0.000779 -0.003865 0.000348 0.002198 28O 1dyz -0.004686 0.000157 0.000081 -0.004006 0.000863 -0.000952 28O 1dx2y2 0.001867 0.000031 0.000245 -0.000648 -0.002671 -0.001263 28O 1dxy 0.003505 -0.002031 0.001612 -0.003969 0.000548 0.000738 28O 2dz2 0.023009 -0.042480 0.107022 0.179173 -0.233604 -0.021319 28O 2dxz -0.006028 -0.006936 -0.078336 -0.095944 0.028949 -0.003849 28O 2dyz 0.051554 -0.002971 0.018516 -0.045436 0.043081 0.057003 28O 2dx2y2 0.030221 -0.020793 0.009672 -0.067926 -0.012283 -0.077417 28O 2dxy 0.072559 -0.026496 0.035297 -0.123241 0.016916 -0.011072 28O 1f0 -0.003026 -0.002590 0.002952 0.001285 -0.000591 -0.000266 28O 1f+1 -0.000069 0.000177 0.001325 0.000402 -0.001552 0.005121 28O 1f-1 0.001931 0.001915 -0.001551 0.003094 0.002684 -0.000152 28O 1f+2 -0.001524 -0.001819 0.000403 0.000274 -0.000577 0.002677 28O 1f-2 -0.001337 -0.001557 -0.002316 0.004923 0.002123 -0.004164 28O 1f+3 -0.001858 -0.003903 0.002305 0.006046 -0.004241 -0.006836 28O 1f-3 0.000853 0.000900 -0.004213 -0.005174 0.003832 -0.002817 29O 1s -0.003473 0.004580 0.000174 -0.008187 0.002223 -0.001439 29O 2s -0.011015 0.013841 0.000461 -0.025288 0.007389 -0.004692 29O 3s 0.058048 -0.060340 -0.002591 0.121949 -0.048144 0.029093 29O 4s -0.047285 0.021065 0.004982 0.022387 0.080640 -0.030198 29O 5s 0.002507 -0.050520 0.009200 -0.426889 -0.051666 -0.043535 29O 1pz -0.240832 -0.046094 -0.004074 -0.056540 0.014774 0.037981 29O 1px -0.090232 0.144209 0.034463 0.038185 -0.031503 0.024372 29O 1py 0.016014 -0.043535 -0.008794 -0.032179 0.032055 -0.008850 29O 2pz 0.938598 0.056056 0.057479 0.150797 -0.022981 -0.127671 29O 2px 0.347229 -0.170780 -0.014412 -0.055637 0.045257 -0.072716 29O 2py -0.092100 0.071268 -0.004495 0.018250 -0.050097 0.023246 29O 3pz -0.137459 -0.086607 -0.072436 -0.159266 0.052260 -0.010109 29O 3px -0.016362 0.161247 0.016940 0.380062 -0.102464 0.060016 29O 3py 0.030792 -0.034619 0.009848 -0.014851 0.076292 0.011183 29O 1dz2 0.009547 -0.002588 -0.000212 0.002650 -0.000865 -0.000845 29O 1dxz -0.006500 -0.002038 0.000210 0.002761 -0.001607 0.001786 29O 1dyz 0.013636 0.000041 0.001268 0.002254 0.000602 -0.001698 29O 1dx2y2 -0.002880 0.003019 0.001023 -0.005521 0.000641 -0.000593 29O 1dxy 0.004530 0.000047 -0.000840 -0.001009 -0.000754 -0.001738 29O 2dz2 -0.032216 -0.071484 -0.050216 -0.062293 0.043592 -0.016348 29O 2dxz -0.039994 -0.005344 0.006838 -0.005483 0.020404 0.001316 29O 2dyz -0.061123 0.057475 0.028274 0.045706 -0.027481 0.023072 29O 2dx2y2 0.006006 -0.094150 -0.000251 -0.128334 0.018855 -0.010297 29O 2dxy -0.070455 -0.087530 -0.049235 -0.081494 0.040821 -0.019343 29O 1f0 0.006547 0.003365 0.000457 -0.000988 -0.001180 -0.000049 29O 1f+1 0.007185 -0.000974 0.000617 0.001233 0.000491 -0.001001 29O 1f-1 0.030700 0.004828 0.002419 0.002551 -0.002200 -0.003197 29O 1f+2 -0.012210 -0.000202 -0.000534 -0.000245 0.000333 0.001459 29O 1f-2 -0.046816 0.002926 -0.004018 -0.006415 -0.000028 0.006796 29O 1f+3 0.012614 -0.000745 0.000467 0.001513 0.001403 -0.001908 29O 1f-3 0.022922 -0.002080 0.002462 0.001381 0.002255 -0.003184 30O 1s -0.003626 0.000132 -0.000010 -0.000406 0.000175 0.000696 30O 2s -0.010793 0.000137 -0.000507 -0.000679 0.000517 0.001018 30O 3s 0.029357 -0.010812 -0.014067 -0.019773 -0.012301 0.012772 30O 4s 0.189133 0.180481 0.220578 0.211793 0.061584 -0.095332 30O 5s 0.515339 -0.708554 -0.046377 -0.109939 0.278427 0.002142 30O 1pz -0.059130 -0.072826 0.012008 0.021002 0.050365 0.045272 30O 1px -0.023868 -0.093361 -0.049325 -0.072018 0.000088 -0.000731 30O 1py -0.030287 -0.003680 -0.005503 0.049440 0.017467 0.006301 30O 2pz -0.022682 0.089195 -0.059977 -0.048401 -0.069418 -0.021046 30O 2px 0.149552 0.102390 0.094005 0.095481 0.024220 -0.014836 30O 2py 0.077489 -0.017511 0.029657 -0.008245 0.050760 -0.055731 30O 3pz -0.400389 -0.168185 -0.240185 -0.185623 -0.032215 -0.024257 30O 3px 0.086754 -0.367481 -0.268292 -0.193273 0.010830 0.026899 30O 3py 0.551658 0.143675 0.439706 0.395172 0.171140 0.099217 30O 1dz2 0.003572 0.002185 0.001819 0.000589 -0.003993 0.000667 30O 1dxz -0.000431 -0.003203 -0.002651 -0.002710 -0.001820 0.000124 30O 1dyz -0.000387 -0.001613 -0.004106 0.000012 -0.000134 -0.002078 30O 1dx2y2 0.001496 -0.003222 -0.004837 -0.003761 -0.003422 -0.000698 30O 1dxy 0.002452 0.004524 0.005267 0.004054 0.001791 0.000521 30O 2dz2 0.142384 0.121959 0.111139 0.061162 -0.080589 -0.054449 30O 2dxz -0.083830 -0.005820 -0.052566 0.010492 -0.001902 -0.031357 30O 2dyz -0.036741 0.069000 -0.010204 -0.064524 -0.050976 0.042415 30O 2dx2y2 0.046860 0.000935 -0.127114 -0.227867 -0.134587 -0.037180 30O 2dxy 0.123500 -0.010557 0.116972 0.087077 0.091309 0.006498 30O 1f0 0.002113 0.001328 -0.003568 -0.004214 0.001214 -0.006130 30O 1f+1 0.000116 0.001343 -0.001252 -0.004426 -0.003518 0.003236 30O 1f-1 -0.001060 -0.002292 0.004291 0.001863 -0.002282 0.002127 30O 1f+2 -0.006383 -0.002941 0.003530 0.001621 0.003728 0.002424 30O 1f-2 -0.001113 -0.000042 0.001818 0.001012 0.001480 -0.004470 30O 1f+3 -0.001112 0.003087 0.001012 0.000427 0.001496 -0.003367 30O 1f-3 -0.001238 0.001573 0.000610 0.001453 -0.001060 0.002158 31O 1s 0.003941 -0.000115 0.000023 -0.000327 -0.000101 0.000592 31O 2s 0.012120 -0.000237 0.000532 -0.000403 -0.000308 0.000719 31O 3s -0.044512 0.013891 0.014624 -0.019307 0.013186 0.013604 31O 4s -0.123023 -0.199065 -0.227815 0.191985 -0.080183 -0.091152 31O 5s -0.519728 0.729941 0.064610 -0.112433 -0.282499 0.019674 31O 1pz -0.067656 -0.078503 0.014775 -0.018123 0.054398 -0.046037 31O 1px -0.014298 -0.098138 -0.052583 0.067745 -0.005408 -0.000018 31O 1py -0.046358 -0.003081 -0.001136 -0.049493 0.020409 -0.006612 31O 2pz -0.001130 0.094811 -0.061776 0.041479 -0.076815 0.024556 31O 2px 0.118916 0.111064 0.096087 -0.087344 0.035488 0.011232 31O 2py 0.076235 -0.018711 0.025472 0.013166 0.049646 0.053194 31O 3pz -0.377597 -0.183528 -0.242613 0.163893 -0.058196 0.027918 31O 3px 0.077555 -0.373465 -0.283198 0.163373 0.003956 -0.038018 31O 3py 0.483177 0.158856 0.456563 -0.350261 0.217448 -0.094514 31O 1dz2 -0.003555 -0.002360 -0.001805 0.000643 0.003902 0.000773 31O 1dxz 0.000019 0.003307 0.002819 -0.002409 0.002003 0.000153 31O 1dyz 0.001505 0.000952 0.004174 0.000304 0.000055 -0.002109 31O 1dx2y2 -0.003087 0.003120 0.005069 -0.003203 0.003599 -0.000513 31O 1dxy -0.002298 -0.004709 -0.005436 0.003525 -0.002232 0.000384 31O 2dz2 -0.148277 -0.129968 -0.112323 0.054571 0.078990 -0.054778 31O 2dxz 0.079074 0.004900 0.049304 0.014598 0.005087 -0.033970 31O 2dyz 0.046039 -0.075440 0.014009 -0.060615 0.050722 0.041686 31O 2dx2y2 -0.090291 0.000226 0.139759 -0.208805 0.150303 -0.033641 31O 2dxy -0.103623 0.009181 -0.119866 0.072165 -0.100739 0.005752 31O 1f0 0.002934 0.001220 -0.003855 0.003971 0.000617 0.006049 31O 1f+1 -0.000598 0.001587 -0.001613 0.004141 -0.003623 -0.003299 31O 1f-1 -0.001527 -0.002476 0.004389 -0.001673 -0.002008 -0.002112 31O 1f+2 -0.006266 -0.003501 0.003657 -0.001095 0.003785 -0.002239 31O 1f-2 0.001110 -0.000634 0.002083 -0.000733 0.000938 0.004639 31O 1f+3 -0.000781 0.003521 0.001009 -0.000197 0.001494 0.003669 31O 1f-3 -0.002019 0.001853 0.000570 -0.001348 -0.000972 -0.002025 32O 1s 0.003768 -0.004385 0.000295 -0.008225 -0.001536 -0.001527 32O 2s 0.012229 -0.013223 0.000963 -0.025448 -0.005219 -0.004995 32O 3s -0.071380 0.056887 -0.003653 0.123979 0.036368 0.031311 32O 4s 0.096594 -0.021389 -0.009512 0.016190 -0.075747 -0.034231 32O 5s -0.064751 0.070373 0.018684 -0.425841 0.082642 -0.043613 32O 1pz -0.218004 -0.047706 -0.009183 0.061173 0.018033 -0.029466 32O 1px -0.079444 0.143798 0.034665 -0.040223 -0.025030 -0.023272 32O 1py 0.001121 -0.041509 -0.010169 0.035471 0.028989 0.008114 32O 2pz 0.886742 0.060771 0.075360 -0.163187 -0.043260 0.099264 32O 2px 0.320364 -0.171707 -0.012348 0.057641 0.026843 0.065247 32O 2py -0.048447 0.069554 -0.003644 -0.026261 -0.044815 -0.020123 32O 3pz -0.102926 -0.090914 -0.080277 0.158224 0.042573 0.018381 32O 3px -0.041943 0.171481 0.037070 -0.389696 -0.071457 -0.062237 32O 3py 0.037930 -0.031859 0.009113 0.022172 0.078142 -0.009737 32O 1dz2 -0.008606 0.002516 0.000069 0.002745 0.000963 -0.000582 32O 1dxz 0.007151 0.001852 -0.000215 0.002626 0.001064 0.001703 32O 1dyz -0.013504 -0.000102 -0.001559 0.002358 -0.000258 -0.001332 32O 1dx2y2 0.002990 -0.002906 -0.000673 -0.005655 -0.000265 -0.000620 32O 1dxy -0.003929 0.000022 0.000797 -0.000827 0.001172 -0.001500 32O 2dz2 0.024764 0.074543 0.052776 -0.064260 -0.039632 -0.018184 32O 2dxz 0.040982 0.002006 -0.008414 -0.005951 -0.018683 0.001921 32O 2dyz 0.064006 -0.053717 -0.026086 0.039432 0.018231 0.021426 32O 2dx2y2 -0.030968 0.097483 0.007158 -0.131655 -0.009604 -0.011624 32O 2dxy 0.072322 0.089836 0.052499 -0.084624 -0.034551 -0.020846 32O 1f0 0.006249 0.003080 0.000272 0.000893 -0.001119 -0.000361 32O 1f+1 0.007716 -0.001217 0.000905 -0.001450 0.000277 0.001079 32O 1f-1 0.030087 0.005182 0.002746 -0.003037 -0.002905 0.002069 32O 1f+2 -0.012341 -0.000484 -0.000605 0.000441 0.000786 -0.001050 32O 1f-2 -0.044031 0.002771 -0.004932 0.006654 0.001332 -0.005656 32O 1f+3 0.010396 -0.000630 0.000559 -0.001339 0.001048 0.001358 32O 1f-3 0.022021 -0.002016 0.002809 -0.001274 0.001532 0.002694 33O 1s 0.001822 -0.001009 -0.000121 -0.000364 -0.000129 -0.000673 33O 2s 0.005563 -0.003063 -0.000796 -0.000086 -0.000884 -0.001226 33O 3s -0.052018 0.025697 0.016512 -0.031879 -0.001143 -0.010599 33O 4s 0.305938 -0.135130 -0.068836 0.279556 0.063496 0.112618 33O 5s -0.289263 0.105248 -0.361821 -0.060096 0.271765 -0.012262 33O 1pz -0.037869 0.011203 -0.030299 0.060198 0.028403 -0.007038 33O 1px 0.035919 -0.019853 -0.014631 0.073170 0.052348 0.000445 33O 1py 0.049372 -0.079956 0.065219 -0.009919 -0.076359 0.040995 33O 2pz 0.060843 -0.033642 -0.034281 -0.015308 0.037668 0.081744 33O 2px -0.129955 0.045578 0.061981 -0.140327 -0.078224 -0.034050 33O 2py -0.047219 0.084605 -0.089809 0.013831 0.068657 -0.010577 33O 3pz 0.267503 -0.148465 -0.133498 0.573727 0.170178 -0.086585 33O 3px 0.208817 0.048891 0.127585 0.045825 0.009076 0.032979 33O 3py 0.304581 -0.141424 0.165719 0.276803 0.062025 -0.005088 33O 1dz2 0.002392 -0.000892 -0.000448 0.003006 0.007687 0.001651 33O 1dxz -0.005239 0.002940 0.001022 -0.003960 -0.000351 0.002047 33O 1dyz 0.001612 0.000293 0.000321 -0.004080 -0.000808 -0.000949 33O 1dx2y2 -0.001365 -0.000089 -0.000335 -0.000533 0.003055 -0.001149 33O 1dxy -0.004467 0.002128 -0.001335 -0.004246 -0.000390 0.000637 33O 2dz2 -0.074666 0.049901 -0.121288 0.181870 0.224943 -0.012032 33O 2dxz -0.018902 0.013829 0.084953 -0.091531 -0.028460 -0.005477 33O 2dyz -0.048181 -0.000087 -0.009345 -0.053126 -0.049903 0.055234 33O 2dx2y2 -0.058701 0.026930 -0.010431 -0.067001 0.027804 -0.080167 33O 2dxy -0.129574 0.037008 -0.028557 -0.127940 -0.008352 -0.015629 33O 1f0 -0.001341 -0.003015 0.003303 -0.001173 -0.000767 0.000243 33O 1f+1 -0.002250 0.000468 0.001358 -0.000321 -0.001311 -0.005273 33O 1f-1 -0.001904 0.002504 -0.001328 -0.003211 0.002639 0.000143 33O 1f+2 0.000633 -0.002072 0.000302 -0.000159 -0.000225 -0.003018 33O 1f-2 -0.002721 -0.001242 -0.001859 -0.004998 0.002045 0.004084 33O 1f+3 0.000622 -0.004339 0.003051 -0.006207 -0.004526 0.006600 33O 1f-3 -0.000268 0.001166 -0.004627 0.004983 0.003392 0.002981 34O 1s -0.000030 -0.001028 -0.003037 0.000035 0.000840 0.001394 34O 2s -0.000157 -0.002631 -0.008414 0.001008 0.002283 0.002166 34O 3s -0.008423 0.000672 0.039413 -0.032990 0.009832 0.028560 34O 4s 0.134708 0.158077 0.019992 0.239537 -0.170573 -0.256034 34O 5s 0.015930 -0.665890 -0.642664 -0.078252 -0.142470 0.042475 34O 1pz 0.044305 0.111952 -0.008275 0.076270 -0.061015 -0.003473 34O 1px -0.003884 -0.005383 0.017139 -0.025637 0.008823 -0.005743 34O 1py 0.053234 -0.023490 -0.041016 -0.030399 -0.033506 0.029277 34O 2pz -0.052509 -0.140438 -0.016087 -0.060457 0.027836 0.036640 34O 2px 0.079649 -0.008085 -0.057368 0.113679 -0.109209 -0.097207 34O 2py -0.029911 0.063658 0.136111 -0.025821 0.062067 0.017829 34O 3pz 0.259504 0.316166 -0.010920 0.216535 -0.102723 0.090525 34O 3px 0.102861 -0.032881 -0.156848 0.141623 -0.140752 0.018256 34O 3py -0.031433 -0.123598 -0.089287 -0.231109 0.164636 0.045614 34O 1dz2 -0.001285 -0.000712 0.006145 0.000702 -0.002109 -0.004865 34O 1dxz 0.002243 0.001574 0.000448 0.003170 -0.003066 0.000939 34O 1dyz -0.001093 0.004151 0.000427 0.002701 0.002115 -0.000580 34O 1dx2y2 -0.000786 0.000363 0.000114 0.000814 -0.003846 -0.000998 34O 1dxy -0.001012 0.000460 0.004016 -0.002965 0.001610 -0.003521 34O 2dz2 0.007808 0.062864 0.139951 -0.008519 -0.028978 -0.105782 34O 2dxz 0.084576 0.050549 -0.120894 0.174470 -0.148171 0.068933 34O 2dyz 0.037343 0.060465 0.014726 0.040377 0.023207 0.007665 34O 2dx2y2 0.054244 -0.011504 -0.015132 -0.009895 -0.115851 -0.008494 34O 2dxy 0.138185 0.189536 0.225655 -0.159516 0.061186 0.024690 34O 1f0 0.000516 0.003275 0.001620 0.003418 0.000803 -0.005102 34O 1f+1 -0.001703 -0.003224 -0.004989 0.003394 -0.001655 0.005807 34O 1f-1 -0.000570 0.000336 -0.001416 0.000662 0.002635 0.001298 34O 1f+2 -0.000532 -0.001538 0.001474 0.000777 0.000226 0.004940 34O 1f-2 -0.001241 0.004307 0.003161 -0.003071 0.002547 -0.004917 34O 1f+3 -0.003795 -0.004739 -0.009556 0.003650 -0.000860 0.000822 34O 1f-3 -0.000877 0.000859 -0.001767 0.001757 -0.001787 -0.003244 35O 1s 0.005269 0.000779 0.002285 0.000176 -0.000208 -0.001497 35O 2s 0.014853 0.002381 0.006775 -0.000895 -0.000944 -0.002818 35O 3s -0.043329 -0.014667 -0.022967 0.017007 -0.003932 -0.019474 35O 4s -0.235043 0.082445 -0.101028 -0.026832 0.075168 0.224712 35O 5s -0.044689 -0.640126 0.180234 0.098727 0.300620 -0.116848 35O 1pz -0.028984 0.021792 0.007812 -0.006623 -0.047673 0.038811 35O 1px 0.019834 -0.043295 0.047490 -0.067515 -0.044251 -0.002440 35O 1py -0.058812 0.061417 -0.083372 0.060591 0.076326 0.018183 35O 2pz 0.096299 -0.044305 -0.005526 0.055805 0.073373 -0.014711 35O 2px -0.142478 0.023471 -0.064087 0.054675 0.093896 0.083083 35O 2py 0.018965 -0.099218 0.069551 -0.035540 -0.016614 -0.029476 35O 3pz -0.343319 -0.087766 -0.299686 0.225851 0.044697 0.119897 35O 3px -0.203816 -0.264404 0.070940 0.096453 0.045881 -0.034732 35O 3py -0.336541 0.098774 -0.260760 0.374929 0.289963 -0.044687 35O 1dz2 0.003856 0.001963 0.002849 0.000122 -0.001383 -0.003258 35O 1dxz 0.003197 0.002308 -0.000999 0.005547 0.000757 -0.002847 35O 1dyz 0.003860 -0.002867 0.001032 0.001489 0.000995 -0.002058 35O 1dx2y2 0.002971 0.001313 0.001698 0.000106 -0.000274 -0.001095 35O 1dxy 0.003318 0.001981 -0.001209 0.005624 0.003990 -0.001545 35O 2dz2 0.099593 0.068364 0.077841 -0.012715 -0.073978 -0.061304 35O 2dxz 0.128365 -0.103377 -0.027378 0.172739 0.024007 0.038828 35O 2dyz 0.132451 -0.087712 0.035905 0.033822 0.002621 0.044739 35O 2dx2y2 0.043260 -0.061407 0.118266 -0.105480 -0.112541 -0.016337 35O 2dxy 0.039088 -0.011609 -0.080508 0.192106 0.197809 -0.080960 35O 1f0 -0.002555 0.000749 0.001897 0.000588 -0.002314 -0.002824 35O 1f+1 0.009617 -0.002476 0.000358 0.006884 0.000197 0.000386 35O 1f-1 0.006209 -0.001161 -0.000073 0.002297 0.000803 0.000421 35O 1f+2 0.001828 0.002144 -0.000898 -0.003772 -0.002928 0.004441 35O 1f-2 0.005574 -0.001329 -0.000883 0.003085 0.002107 -0.002706 35O 1f+3 0.005449 -0.003156 0.002152 0.001636 0.002684 -0.007904 35O 1f-3 0.008109 -0.001337 -0.002423 0.007972 0.002844 -0.001642 426 427 428 429 430 431 2.35919 2.37650 2.38898 2.39032 2.39730 2.42162 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s -0.000147 -0.000447 -0.000477 -0.002906 0.000030 0.002095 0Rh 2s 0.001269 0.002465 0.002623 0.016866 -0.000599 -0.010371 0Rh 3s -0.000096 -0.001132 -0.001215 -0.006863 -0.000191 0.006040 0Rh 4s -0.006509 -0.012599 -0.013394 -0.086053 0.003014 0.052884 0Rh 5s 0.012927 0.020345 0.021347 0.139802 -0.006217 -0.075878 0Rh 6s -0.010285 -0.002334 -0.000290 -0.005171 0.003743 -0.048550 0Rh 7s 0.054723 0.071951 -0.030849 -0.054092 0.027318 0.580584 0Rh 8s -0.079977 -0.030846 0.080326 -0.322197 0.111738 -0.040714 0Rh 1pz -0.001545 0.001176 0.003281 0.002734 0.003940 -0.000590 0Rh 1px -0.002830 0.000175 0.002755 -0.000748 0.000674 0.000517 0Rh 1py 0.000310 0.005223 -0.003267 0.000541 0.003292 0.003742 0Rh 2pz 0.004853 -0.004147 -0.011450 -0.009736 -0.014591 0.001888 0Rh 2px 0.009973 -0.000572 -0.009878 0.002714 -0.002696 -0.001112 0Rh 2py -0.001283 -0.018500 0.012117 -0.001932 -0.011347 -0.013257 0Rh 3pz 0.010054 0.002830 0.004811 0.008088 0.024273 0.002924 0Rh 3px -0.005845 -0.000526 0.009724 -0.003343 0.008524 -0.014454 0Rh 3py 0.004831 0.013263 -0.020689 0.001469 0.001625 0.009314 0Rh 4pz -0.079041 0.014912 0.058709 0.033621 -0.001916 -0.025151 0Rh 4px -0.047035 0.006295 0.027859 -0.004196 -0.017709 0.068234 0Rh 4py -0.011411 0.073283 0.005220 0.009742 0.071817 0.053413 0Rh 5pz 0.166771 -0.010329 -0.105539 -0.055599 0.020164 0.050992 0Rh 5px 0.094974 -0.014271 -0.046722 -0.001777 0.044508 -0.135677 0Rh 5py 0.022649 -0.130453 -0.032343 -0.035806 -0.133009 -0.081959 0Rh 6pz -0.005535 -0.532663 -0.172533 -0.173615 -0.488754 -0.401800 0Rh 6px -0.049278 -0.022365 -0.192987 0.089944 -0.377885 0.373993 0Rh 6py 0.127052 -0.234369 0.548384 0.385315 -0.161908 -0.966053 0Rh 1dz2 -0.002631 -0.005796 -0.001037 -0.001158 -0.006068 -0.005582 0Rh 1dxz 0.007746 0.011108 -0.010945 -0.004191 0.002138 0.000243 0Rh 1dyz 0.023466 0.017778 0.001354 0.002274 0.003118 -0.000939 0Rh 1dx2y2 -0.004960 0.009584 -0.002493 0.010357 0.004141 -0.004833 0Rh 1dxy 0.007837 0.003277 -0.005191 -0.003275 -0.012094 0.006840 0Rh 2dz2 -0.001748 0.004435 0.001168 0.001766 0.000848 -0.001998 0Rh 2dxz 0.000638 -0.000927 -0.000356 0.001885 0.000323 -0.001240 0Rh 2dyz -0.002835 0.007958 -0.001073 0.000137 0.001300 -0.002660 0Rh 2dx2y2 0.001238 0.000275 -0.001492 -0.003062 0.000188 0.000548 0Rh 2dxy 0.000076 0.002454 -0.000700 -0.001128 -0.001805 -0.001216 0Rh 3dz2 0.015550 -0.003914 -0.002233 -0.004632 0.012887 0.024537 0Rh 3dxz -0.023915 -0.026467 0.031560 0.003136 -0.007387 0.004906 0Rh 3dyz -0.050392 -0.084613 0.000966 -0.006837 -0.014541 0.014778 0Rh 3dx2y2 0.008182 -0.027600 0.013580 -0.014806 -0.012111 0.010665 0Rh 3dxy -0.021312 -0.020094 0.017479 0.014044 0.041154 -0.013611 0Rh 4dz2 -0.035616 0.065454 0.015208 0.024541 0.013176 -0.032243 0Rh 4dxz 0.006339 -0.012518 -0.003136 0.027074 0.005497 -0.018551 0Rh 4dyz -0.062988 0.121365 -0.014074 0.001215 0.021719 -0.044279 0Rh 4dx2y2 0.015479 0.005384 -0.023554 -0.044507 0.000467 0.011747 0Rh 4dxy -0.007648 0.038144 -0.010986 -0.016371 -0.023273 -0.016638 0Rh 5dz2 0.242934 -0.277225 -0.046359 -0.071943 -0.097964 0.104755 0Rh 5dxz 0.054477 0.114566 -0.061156 -0.105117 -0.009264 0.070423 0Rh 5dyz 0.635406 -0.375013 0.044648 0.025009 -0.092722 0.207951 0Rh 5dx2y2 -0.045783 0.020644 0.092116 0.199052 0.047199 -0.096196 0Rh 5dxy 0.177256 -0.138900 0.003019 0.029094 -0.005711 0.122879 0Rh 1f0 0.008044 -0.010265 -0.060331 0.054032 0.006340 0.012880 0Rh 1f+1 -0.121653 -0.029558 -0.034262 -0.026914 -0.043345 -0.058931 0Rh 1f-1 0.017004 -0.072673 0.055410 -0.003904 0.049747 -0.009425 0Rh 1f+2 0.059325 -0.014452 -0.025625 0.014440 0.103153 -0.030931 0Rh 1f-2 -0.124475 -0.078935 0.050721 -0.028232 0.075434 -0.115821 0Rh 1f+3 -0.031002 -0.003583 -0.020972 -0.049430 -0.010603 0.000842 0Rh 1f-3 0.015424 -0.006892 0.074760 -0.023246 -0.037748 0.053372 1Rh 1s 0.000162 -0.000425 0.000163 -0.002916 0.000102 0.002124 1Rh 2s -0.001387 0.002357 -0.000780 0.016928 -0.000148 -0.010554 1Rh 3s 0.000108 -0.001069 0.000485 -0.006883 0.000515 0.006099 1Rh 4s 0.007114 -0.012044 0.003986 -0.086370 0.000795 0.053825 1Rh 5s -0.014140 0.019479 -0.005957 0.140358 0.000135 -0.077521 1Rh 6s 0.011561 -0.002281 -0.000742 -0.005410 -0.004032 -0.047993 1Rh 7s -0.070306 0.073253 0.026351 -0.053836 -0.020546 0.582056 1Rh 8s 0.081369 -0.044626 -0.117500 -0.319543 -0.099782 -0.049275 1Rh 1pz -0.001520 -0.000920 0.003044 -0.002888 0.003978 0.000475 1Rh 1px -0.002657 -0.000063 0.002748 0.000641 0.000584 -0.000567 1Rh 1py 0.000332 -0.005180 -0.002917 -0.000245 0.003277 -0.003820 1Rh 2pz 0.004761 0.003238 -0.010602 0.010286 -0.014725 -0.001448 1Rh 2px 0.009376 0.000168 -0.009858 -0.002331 -0.002380 0.001298 1Rh 2py -0.001356 0.018365 0.010873 0.000855 -0.011296 0.013529 1Rh 3pz 0.010176 -0.002094 0.004053 -0.008587 0.024384 -0.003867 1Rh 3px -0.005715 0.000969 0.009768 0.002913 0.008362 0.014132 1Rh 3py 0.004816 -0.013560 -0.019730 -0.000078 0.001635 -0.009470 1Rh 4pz -0.078930 -0.011766 0.055896 -0.035227 -0.001537 0.025992 1Rh 4px -0.043316 -0.005399 0.027410 0.003418 -0.019225 -0.068226 1Rh 4py -0.010879 -0.070877 0.009691 -0.008278 0.071445 -0.054559 1Rh 5pz 0.166820 0.005105 -0.100035 0.057779 0.020157 -0.052627 1Rh 5px 0.087221 0.013109 -0.044735 0.002564 0.047052 0.135705 1Rh 5py 0.022036 0.124620 -0.038727 0.034594 -0.132623 0.083418 1Rh 6pz -0.013201 0.519113 -0.186996 0.199504 -0.502610 0.407192 1Rh 6px -0.033191 0.010823 -0.207696 -0.070640 -0.378198 -0.374046 1Rh 6py 0.111385 0.256608 0.496052 -0.426895 -0.151699 0.984724 1Rh 1dz2 0.002855 -0.006468 0.001075 -0.001421 0.006292 -0.006026 1Rh 1dxz -0.007502 0.011022 0.009683 -0.004583 -0.002282 0.000456 1Rh 1dyz -0.023393 0.018585 -0.002716 0.002828 -0.003506 -0.001376 1Rh 1dx2y2 0.005255 0.008991 0.002841 0.010014 -0.004770 -0.004513 1Rh 1dxy -0.008307 0.003888 0.004660 -0.003248 0.012178 0.006574 1Rh 2dz2 0.001779 0.004273 -0.001271 0.001810 -0.001021 -0.002038 1Rh 2dxz -0.000656 -0.000910 0.000603 0.001859 -0.000409 -0.001219 1Rh 2dyz 0.002918 0.007713 0.000608 0.000054 -0.001498 -0.002690 1Rh 2dx2y2 -0.001190 0.000314 0.001078 -0.003114 -0.000084 0.000566 1Rh 2dxy -0.000007 0.002400 0.000402 -0.001100 0.001785 -0.001278 1Rh 3dz2 -0.016302 -0.001338 0.002590 -0.004089 -0.012729 0.025934 1Rh 3dxz 0.023326 -0.026300 -0.029185 0.004328 0.008167 0.004224 1Rh 3dyz 0.049814 -0.085692 0.004878 -0.007980 0.016506 0.016102 1Rh 3dx2y2 -0.009195 -0.026149 -0.012689 -0.013633 0.013377 0.009697 1Rh 3dxy 0.022287 -0.021519 -0.014683 0.013861 -0.041298 -0.012611 1Rh 4dz2 0.036080 0.062888 -0.016763 0.024892 -0.015706 -0.032614 1Rh 4dxz -0.006603 -0.012358 0.006679 0.026770 -0.006728 -0.018276 1Rh 4dyz 0.064411 0.117120 0.006960 -0.000183 -0.024759 -0.044347 1Rh 4dx2y2 -0.014906 0.005973 0.017550 -0.045361 0.001070 0.012077 1Rh 4dxy 0.008689 0.037162 0.006588 -0.016195 0.022925 -0.017317 1Rh 5dz2 -0.243930 -0.269529 0.053918 -0.071650 0.107854 0.099686 1Rh 5dxz -0.052628 0.113891 0.042473 -0.106425 0.011951 0.070777 1Rh 5dyz -0.642319 -0.349703 -0.025311 0.036705 0.101629 0.198399 1Rh 5dx2y2 0.046726 0.014914 -0.071457 0.202096 -0.055947 -0.096295 1Rh 5dxy -0.184328 -0.129304 0.008156 0.030298 0.008479 0.121020 1Rh 1f0 0.010436 0.006690 -0.065083 -0.048745 0.007760 -0.014009 1Rh 1f+1 -0.123654 0.027839 -0.034277 0.031774 -0.043776 0.058847 1Rh 1f-1 0.016868 0.073063 0.053552 0.002258 0.048822 0.010645 1Rh 1f+2 0.059299 0.014500 -0.026088 -0.012896 0.102350 0.027638 1Rh 1f-2 -0.126510 0.085203 0.044597 0.027055 0.074462 0.113325 1Rh 1f+3 -0.032625 0.002481 -0.013881 0.052165 -0.012459 -0.000160 1Rh 1f-3 0.015738 0.009283 0.078986 0.017203 -0.038977 -0.051167 2C 1s -0.003103 0.000828 -0.001067 0.000945 -0.002000 0.000412 2C 2s -0.016273 0.001284 -0.000691 0.003579 -0.005945 0.001263 2C 3s 0.145442 -0.071960 0.093945 0.077158 0.050671 0.022289 2C 4s -0.149275 0.258240 -0.504898 -0.705571 0.036159 -0.050879 2C 5s 1.799937 -0.525388 -0.161741 0.010772 -1.231407 -0.876391 2C 1pz -0.008225 -0.079688 0.061530 0.027943 0.030105 0.015476 2C 1px -0.083310 0.029465 0.028165 0.003714 0.000821 0.064813 2C 1py 0.002195 0.019201 0.027369 0.022182 0.015993 0.009719 2C 2pz -0.086920 0.143457 -0.781500 -0.713721 0.158639 -0.296978 2C 2px 0.173231 -0.010867 -0.264888 -0.192858 0.104799 0.079183 2C 2py 0.195108 -0.021645 0.722865 0.136067 -0.181749 0.293140 2C 3pz 0.286091 -0.211783 -0.090242 -0.028222 -0.252342 -0.259693 2C 3px -0.142310 -0.061152 0.098850 0.050604 -0.096867 0.182691 2C 3py 0.248046 -0.052562 0.027199 0.034544 -0.207177 -0.130755 2C 1dz2 -0.022623 0.014905 -0.109647 -0.054660 0.025011 -0.035732 2C 1dxz 0.059314 0.056886 -0.093746 -0.010034 0.002752 -0.035550 2C 1dyz 0.002687 0.007445 0.033154 0.006877 -0.006466 0.034434 2C 1dx2y2 -0.026071 0.013251 -0.077907 -0.044581 0.018256 -0.024485 2C 1dxy 0.055529 0.014474 0.036929 0.023404 -0.015425 0.020193 2C 2dz2 0.020334 -0.065611 -0.294308 -0.244780 0.091147 -0.207457 2C 2dxz -0.060717 -0.195851 0.513107 0.057172 -0.032868 0.305681 2C 2dyz 0.079426 0.155293 0.132997 0.050837 -0.072839 0.078011 2C 2dx2y2 0.036364 0.051738 0.079554 0.000346 0.010898 0.315784 2C 2dxy -0.233420 -0.114509 -0.739341 -0.534966 0.254111 -0.077266 2C 1f0 -0.040198 0.023877 -0.027096 -0.020545 0.005930 0.021067 2C 1f+1 -0.027186 -0.028260 -0.053293 -0.054039 0.037060 0.020030 2C 1f-1 0.029280 0.007701 -0.033006 -0.027966 0.009917 -0.032553 2C 1f+2 0.020128 0.009654 -0.050056 -0.004258 -0.001486 -0.058125 2C 1f-2 0.098840 0.042562 -0.021359 0.014015 -0.024738 -0.021661 2C 1f+3 -0.022877 0.035184 0.061177 0.038517 -0.017634 0.018084 2C 1f-3 -0.077204 -0.024881 0.034919 -0.008524 0.020855 0.068809 3C 1s -0.001467 0.000322 -0.002084 0.000171 0.002133 -0.000593 3C 2s -0.001463 0.003513 -0.007031 0.002019 0.002134 -0.001192 3C 3s -0.015212 0.063160 0.077559 0.110271 -0.153342 -0.022476 3C 4s 0.232912 -0.523903 -0.082558 -0.835667 0.794301 0.307089 3C 5s -1.088549 0.378518 -0.981770 0.403654 0.265485 0.527530 3C 1pz 0.034032 -0.047693 0.030577 0.017311 -0.007425 0.004164 3C 1px 0.053459 0.053637 -0.019211 0.040373 -0.070168 -0.028103 3C 1py -0.006430 -0.061800 -0.028276 -0.046587 0.104300 -0.036385 3C 2pz 0.034424 -0.153788 -0.143222 0.128222 -0.597304 0.476388 3C 2px -0.332166 -0.116046 0.017105 -0.056671 -0.078943 0.058265 3C 2py -0.327510 0.293102 -0.066517 0.775661 -0.905123 0.027974 3C 3pz -0.062307 -0.114514 -0.094988 0.037251 0.099536 0.102768 3C 3px -0.135961 0.198002 -0.126583 0.114297 -0.106017 -0.014887 3C 3py 0.181193 -0.174643 0.264565 -0.087988 -0.070640 -0.218207 3C 1dz2 0.003786 0.029916 -0.012262 0.037854 -0.081404 0.034462 3C 1dxz -0.073632 -0.010202 0.000100 0.036946 -0.043674 0.012558 3C 1dyz 0.004049 -0.014270 0.004306 -0.003793 0.058082 -0.047309 3C 1dx2y2 -0.036512 0.021074 -0.011048 0.053874 -0.123632 0.041506 3C 1dxy 0.036492 0.039708 0.001170 0.007504 -0.058359 0.037671 3C 2dz2 -0.050389 -0.210921 -0.177865 0.559678 -0.580745 0.138279 3C 2dxz 0.256993 -0.053425 0.055021 -0.182465 0.229406 0.089911 3C 2dyz -0.043841 0.132112 0.013888 0.138753 -0.369096 0.172336 3C 2dx2y2 -0.003857 0.083017 -0.004705 -0.055739 0.240645 -0.253656 3C 2dxy 0.005576 -0.017387 0.088111 -0.112607 0.457587 -0.186296 3C 1f0 -0.038743 0.073672 0.010420 -0.028113 0.027992 -0.002593 3C 1f+1 -0.002994 0.051995 -0.005674 0.014344 -0.051397 -0.004533 3C 1f-1 -0.000907 -0.040611 -0.001464 -0.017713 0.078015 -0.044901 3C 1f+2 0.008771 0.041818 -0.004755 0.032100 -0.063481 -0.013415 3C 1f-2 0.031415 -0.000542 0.005401 -0.005083 0.018905 -0.002780 3C 1f+3 -0.034906 0.020294 0.024993 -0.054223 0.057437 0.002572 3C 1f-3 -0.045075 -0.058887 -0.007959 0.034541 0.006265 0.014506 4C 1s -0.005557 -0.007400 0.003176 -0.000510 0.001483 0.005552 4C 2s -0.020567 -0.028303 0.013873 -0.000481 0.004543 0.019547 4C 3s 0.056009 0.169824 -0.232484 -0.125797 -0.080053 -0.259526 4C 4s 0.650694 0.476565 0.536376 0.796902 0.005241 0.453257 4C 5s -0.550178 1.110578 0.010919 0.175100 -0.119518 0.142943 4C 1pz 0.117782 0.096805 -0.077864 0.027806 -0.055101 -0.096364 4C 1px 0.018436 -0.061442 -0.027523 -0.010330 -0.020075 -0.075567 4C 1py 0.061977 0.027205 0.019892 0.077760 -0.067845 -0.055244 4C 2pz -0.259652 0.222442 0.102648 -0.243419 0.152405 0.306054 4C 2px 0.670455 -0.024195 -0.002318 0.031463 0.034692 -0.062721 4C 2py 0.119527 0.086275 -0.284898 -0.397921 0.253033 0.084335 4C 3pz 0.484859 -0.217634 -0.160312 -0.015975 -1.138323 -0.498171 4C 3px -0.002631 -0.284976 -0.197491 -0.078377 -0.177265 -0.622804 4C 3py 0.266074 -0.299712 0.253964 0.215991 -0.793399 -0.350176 4C 1dz2 0.034139 0.022503 0.045921 0.026108 -0.009456 0.024628 4C 1dxz 0.020499 0.034446 0.009406 0.017974 0.007512 0.000341 4C 1dyz 0.012403 0.012314 -0.062491 -0.060081 0.010490 0.009986 4C 1dx2y2 -0.029828 -0.031476 0.066271 0.026816 -0.019272 0.020750 4C 1dxy -0.031437 -0.008657 0.003419 0.005973 -0.017757 -0.003611 4C 2dz2 -0.348822 0.025334 -0.190841 0.074133 -0.029392 -0.164315 4C 2dxz -0.070490 -0.212315 -0.176455 -0.070577 0.043299 0.068342 4C 2dyz -0.212895 -0.036870 0.292305 0.373629 -0.102620 0.061159 4C 2dx2y2 0.188770 0.039542 -0.370967 -0.402697 0.190673 -0.032422 4C 2dxy 0.290289 -0.120949 0.326354 0.093901 0.011028 0.268362 4C 1f0 -0.019725 -0.008598 -0.140481 -0.085732 0.033313 -0.060661 4C 1f+1 -0.034135 0.009006 -0.090352 -0.055785 -0.001736 -0.030979 4C 1f-1 -0.006616 0.004884 -0.026155 -0.002664 -0.011479 -0.045936 4C 1f+2 0.008147 0.033755 -0.134281 -0.054042 0.048775 -0.015105 4C 1f-2 0.017031 -0.001550 -0.010542 0.006199 0.000982 0.012087 4C 1f+3 0.015213 0.010150 0.054868 0.024597 -0.004643 0.017728 4C 1f-3 -0.018370 0.006079 0.048211 0.025662 -0.032001 0.032960 5C 1s -0.004942 0.008915 0.001013 -0.001612 -0.003140 -0.002567 5C 2s -0.015340 0.033058 0.002683 -0.002682 -0.015799 -0.006573 5C 3s 0.100253 -0.176381 -0.117107 -0.088278 0.323125 0.133109 5C 4s -0.094162 -0.527604 0.348721 0.619458 -0.895973 -0.784915 5C 5s 0.702643 -1.052790 -0.102076 0.041030 -0.191212 -0.135714 5C 1pz -0.025143 -0.004670 -0.045699 0.089411 -0.013535 -0.006246 5C 1px -0.003192 -0.104074 -0.019960 0.017096 0.009734 0.064097 5C 1py 0.020647 0.048422 0.040702 -0.036123 -0.093501 0.050358 5C 2pz 0.309021 -0.240480 0.166227 -0.439351 0.193786 -0.005577 5C 2px -0.504014 -0.052029 0.212614 -0.301294 0.314485 -0.158048 5C 2py -0.325995 0.445121 -0.122794 0.319397 0.100229 -0.132794 5C 3pz -0.418548 0.266774 -0.664746 0.427819 -0.288304 0.437529 5C 3px 0.033506 -0.040375 -0.415334 0.097205 -0.019654 0.538805 5C 3py 0.462392 -0.253286 1.032883 -0.258778 -0.210913 -0.480843 5C 1dz2 0.007808 -0.001494 0.017439 -0.040549 0.061576 -0.029175 5C 1dxz 0.019156 -0.035170 0.030553 -0.029764 0.052040 -0.026478 5C 1dyz 0.026608 0.002846 0.000496 0.061249 -0.066983 -0.009440 5C 1dx2y2 0.033694 0.051473 -0.011026 -0.006314 -0.004351 -0.007759 5C 1dxy -0.011620 0.026413 0.006285 0.022501 -0.035158 -0.007689 5C 2dz2 0.082001 0.008892 -0.117659 0.187938 -0.095393 0.028944 5C 2dxz -0.408984 0.227676 -0.123290 0.333828 -0.348535 -0.033490 5C 2dyz -0.011820 -0.065552 0.093781 -0.440232 0.470111 -0.001670 5C 2dx2y2 -0.033090 -0.316064 0.119490 -0.132241 -0.147616 0.248969 5C 2dxy 0.269375 -0.274301 -0.034076 -0.027922 -0.003855 0.157135 5C 1f0 0.003774 0.004541 0.011241 -0.020089 0.014033 0.001413 5C 1f+1 -0.011288 0.009707 -0.038408 0.045499 -0.065508 0.025484 5C 1f-1 0.013006 -0.012723 0.026800 -0.091225 0.167833 -0.068248 5C 1f+2 -0.014049 -0.010110 0.000044 -0.008421 -0.018458 -0.010111 5C 1f-2 0.039100 -0.011735 0.040410 -0.041118 0.083306 -0.042703 5C 1f+3 0.005297 -0.003221 -0.008024 -0.019854 0.049542 -0.032870 5C 1f-3 -0.019871 -0.023999 0.010878 0.062946 -0.081802 0.012451 6C 1s 0.005061 0.008887 -0.001524 -0.001521 0.003056 -0.002722 6C 2s 0.015697 0.033053 -0.004551 -0.002392 0.015343 -0.007280 6C 3s -0.106499 -0.171484 0.119986 -0.096128 -0.312174 0.150698 6C 4s 0.123528 -0.553730 -0.259985 0.631487 0.856183 -0.844426 6C 5s -0.724560 -1.051007 0.174807 0.042956 0.204861 -0.141663 6C 1pz -0.026714 0.002779 -0.053779 -0.085671 -0.011882 0.005310 6C 1px -0.001399 0.104581 -0.026619 -0.014453 0.007007 -0.064589 6C 1py 0.022016 -0.048264 0.049009 0.030918 -0.095240 -0.047336 6C 2pz 0.308879 0.249292 0.190944 0.424607 0.179135 0.006031 6C 2px -0.505971 0.065067 0.228515 0.295572 0.313615 0.145215 6C 2py -0.328260 -0.442087 -0.134314 -0.304301 0.122264 0.130809 6C 3pz -0.423998 -0.294227 -0.670432 -0.364184 -0.280787 -0.447478 6C 3px 0.038206 0.016619 -0.416201 -0.061701 -0.022253 -0.545428 6C 3py 0.470834 0.297483 1.024012 0.157797 -0.220729 0.511155 6C 1dz2 -0.007160 -0.004660 -0.018089 -0.040036 -0.061782 -0.028027 6C 1dxz -0.018475 -0.036872 -0.028986 -0.027650 -0.050896 -0.025907 6C 1dyz -0.026890 0.003365 0.002611 0.062219 0.064604 -0.012691 6C 1dx2y2 -0.033759 0.050888 0.008277 -0.006646 0.002577 -0.009330 6C 1dxy 0.011370 0.027410 -0.006533 0.023304 0.034258 -0.008374 6C 2dz2 -0.082522 0.021394 0.132949 0.183125 0.093939 0.027184 6C 2dxz 0.405104 0.233041 0.142065 0.325955 0.345474 -0.031542 6C 2dyz 0.012793 -0.071630 -0.125973 -0.437014 -0.455938 0.017097 6C 2dx2y2 0.033284 -0.312809 -0.136687 -0.126319 0.161997 0.253710 6C 2dxy -0.270649 -0.284178 0.038415 -0.023065 0.015086 0.151595 6C 1f0 0.003517 -0.004232 0.012925 0.019214 0.013415 -0.001433 6C 1f+1 -0.011209 -0.011525 -0.040316 -0.043852 -0.066104 -0.025175 6C 1f-1 0.011890 0.016201 0.029361 0.091538 0.167095 0.064108 6C 1f+2 -0.013102 0.010216 -0.000274 0.008133 -0.019265 0.009660 6C 1f-2 0.037733 0.014726 0.041299 0.038864 0.084062 0.042708 6C 1f+3 0.005615 0.003371 -0.008159 0.020995 0.049514 0.031660 6C 1f-3 -0.019655 0.023695 0.005943 -0.064486 -0.081464 -0.010764 7C 1s 0.005252 -0.007533 -0.002916 -0.000431 -0.001284 0.005503 7C 2s 0.019602 -0.028850 -0.012430 -0.000138 -0.003863 0.019268 7C 3s -0.050900 0.180739 0.206907 -0.131453 0.077951 -0.252744 7C 4s -0.644793 0.458576 -0.474690 0.810775 -0.029030 0.426033 7C 5s 0.572403 1.102538 -0.048787 0.163762 0.089523 0.144305 7C 1pz 0.117853 -0.102331 -0.075807 -0.025060 -0.051376 0.097484 7C 1px 0.016333 0.059129 -0.030985 0.012442 -0.019635 0.073935 7C 1py 0.062179 -0.029032 0.014843 -0.081304 -0.065561 0.057183 7C 2pz -0.279324 -0.196189 0.152436 0.240415 0.144309 -0.321767 7C 2px 0.672632 0.030906 0.001467 -0.046786 0.028599 0.079350 7C 2py 0.115200 -0.089203 -0.235901 0.417464 0.242782 -0.094032 7C 3pz 0.483819 0.199894 -0.192444 0.026842 -1.134519 0.524233 7C 3px -0.012299 0.277018 -0.213839 0.091020 -0.174589 0.616890 7C 3py 0.270323 0.298104 0.206893 -0.238987 -0.795226 0.377044 7C 1dz2 -0.031479 0.018000 -0.046467 0.030987 0.010177 0.024162 7C 1dxz -0.019208 0.033524 -0.010571 0.019428 -0.007921 0.001152 7C 1dyz -0.014608 0.015227 0.053335 -0.063458 -0.009206 0.011682 7C 1dx2y2 0.031524 -0.034373 -0.060158 0.030828 0.019778 0.019520 7C 1dxy 0.031224 -0.009098 -0.003071 0.006407 0.017933 -0.003835 7C 2dz2 0.332058 0.055053 0.204262 0.054101 0.018955 -0.161269 7C 2dxz 0.055229 -0.207796 0.185892 -0.088810 -0.041785 0.062105 7C 2dyz 0.208105 -0.047537 -0.242214 0.383417 0.091438 0.050544 7C 2dx2y2 -0.182671 0.042103 0.338148 -0.436669 -0.184127 -0.023613 7C 2dxy -0.285231 -0.136909 -0.312148 0.118356 -0.004678 0.254341 7C 1f0 -0.018093 0.003240 -0.132901 0.097007 0.033774 0.056479 7C 1f+1 -0.033225 -0.013173 -0.085176 0.063032 -0.001543 0.029112 7C 1f-1 -0.006789 -0.006551 -0.028578 0.006125 -0.009957 0.046093 7C 1f+2 0.009394 -0.038420 -0.127274 0.064800 0.049674 0.011510 7C 1f-2 0.017199 0.000629 -0.011995 -0.004872 0.001222 -0.011169 7C 1f+3 0.014625 -0.008504 0.052396 -0.029003 -0.004514 -0.016128 7C 1f-3 -0.018085 -0.005467 0.048064 -0.030303 -0.032698 -0.031721 8C 1s 0.001463 0.000406 0.002279 -0.000022 -0.002089 -0.000459 8C 2s 0.001322 0.003867 0.007548 0.001493 -0.002093 -0.000936 8C 3s 0.017617 0.058521 -0.077529 0.115767 0.145554 -0.031317 8C 4s -0.241170 -0.514215 0.043433 -0.839632 -0.746437 0.346991 8C 5s 1.122736 0.408582 0.964437 0.289134 -0.282210 0.560203 8C 1pz 0.034998 0.047308 0.029169 -0.019124 -0.006626 -0.002380 8C 1px 0.053086 -0.057327 -0.018675 -0.041437 -0.068701 0.029499 8C 1py -0.007087 0.059326 -0.030704 0.049211 0.100805 0.031737 8C 2pz 0.037751 0.139253 -0.136682 -0.131841 -0.614343 -0.467240 8C 2px -0.326944 0.113588 0.020697 0.057925 -0.091053 -0.070483 8C 2py -0.326954 -0.299439 -0.108850 -0.776315 -0.881547 -0.001290 8C 3pz -0.064854 0.108860 -0.096615 -0.026185 0.097043 -0.108893 8C 3px -0.138890 -0.210523 -0.123502 -0.104303 -0.103084 0.012070 8C 3py 0.186169 0.182561 0.255967 0.058889 -0.076454 0.225523 8C 1dz2 -0.003761 0.032008 0.011116 0.038395 0.080271 0.032253 8C 1dxz 0.072986 -0.012018 0.003433 0.037285 0.044817 0.012476 8C 1dyz -0.003949 -0.015508 -0.002247 -0.004799 -0.059297 -0.046377 8C 1dx2y2 0.035163 0.020770 0.011319 0.054552 0.122760 0.038312 8C 1dxy -0.036387 0.041166 -0.004964 0.008991 0.058521 0.035477 8C 2dz2 0.042807 -0.188761 0.221513 0.549570 0.576596 0.130972 8C 2dxz -0.255403 -0.047309 -0.072870 -0.190897 -0.242042 0.084529 8C 2dyz 0.042461 0.135920 -0.021177 0.139483 0.359199 0.159501 8C 2dx2y2 0.009247 0.088219 0.009600 -0.057704 -0.236555 -0.240067 8C 2dxy -0.001724 -0.038055 -0.079429 -0.115041 -0.470788 -0.191477 8C 1f0 -0.039604 -0.070925 0.014685 0.027862 0.028647 0.002606 8C 1f+1 -0.002362 -0.054168 -0.003704 -0.016091 -0.052762 0.004281 8C 1f-1 -0.001778 0.040139 -0.004231 0.018623 0.077103 0.041957 8C 1f+2 0.009811 -0.042193 -0.005180 -0.033387 -0.062094 0.014852 8C 1f-2 0.031919 0.001384 0.005461 0.005212 0.019583 0.004156 8C 1f+3 -0.034282 -0.015762 0.028602 0.053486 0.056544 -0.003090 8C 1f-3 -0.044864 0.060571 -0.013023 -0.032088 0.007049 -0.014197 9C 1s 0.003015 0.000924 0.000977 0.000889 0.001946 0.000420 9C 2s 0.016067 0.001485 0.000727 0.003440 0.005724 0.001259 9C 3s -0.145996 -0.074024 -0.075116 0.081167 -0.050576 0.017850 9C 4s 0.165643 0.255206 0.389956 -0.724269 -0.020508 -0.023111 9C 5s -1.810033 -0.491828 0.204923 0.023304 1.244619 -0.912981 9C 1pz -0.005651 0.079722 0.050365 -0.029585 0.029929 -0.013040 9C 1px -0.080559 -0.030165 0.028098 -0.003701 0.000751 -0.064830 9C 1py -0.005024 -0.013427 0.023497 -0.022482 0.016734 -0.010209 9C 2pz -0.094904 -0.159687 -0.697238 0.768905 0.151708 0.266380 9C 2px 0.173998 0.006620 -0.247715 0.212703 0.102719 -0.077386 9C 2py 0.177866 0.052973 0.722625 -0.203946 -0.197155 -0.275244 9C 3pz 0.292334 0.199227 -0.104439 0.032182 -0.253007 0.265825 9C 3px -0.135900 0.062968 0.086996 -0.052193 -0.097224 -0.176719 9C 3py 0.235937 0.059579 0.020262 -0.041893 -0.210860 0.134164 9C 1dz2 0.022503 0.016339 0.101891 -0.063404 -0.026038 -0.031480 9C 1dxz -0.059802 0.060389 0.089409 -0.015993 -0.004787 -0.035002 9C 1dyz -0.003196 0.006639 -0.032799 0.009588 0.007436 0.033389 9C 1dx2y2 0.027046 0.014277 0.075451 -0.052797 -0.019393 -0.022281 9C 1dxy -0.055735 0.016584 -0.036290 0.027992 0.015899 0.017654 9C 2dz2 -0.031558 -0.034129 0.284565 -0.265002 -0.087685 -0.206007 9C 2dxz 0.074740 -0.230053 -0.493150 0.090749 0.043423 0.291257 9C 2dyz -0.066455 0.137040 -0.154816 0.070971 0.074999 0.080324 9C 2dx2y2 -0.050345 0.063596 -0.110221 0.029373 0.003069 0.312253 9C 2dxy 0.211429 -0.082485 0.694321 -0.599226 -0.249902 -0.045897 9C 1f0 -0.042222 -0.019875 -0.022377 0.022802 0.005466 -0.022537 9C 1f+1 -0.023135 0.022303 -0.048872 0.058256 0.035632 -0.022898 9C 1f-1 0.027999 -0.009115 -0.030130 0.030806 0.010403 0.031290 9C 1f+2 0.017182 -0.012027 -0.049774 0.008653 0.001052 0.056926 9C 1f-2 0.096243 -0.041574 -0.019243 -0.014731 -0.023854 0.023351 9C 1f+3 -0.025179 -0.029878 0.057965 -0.043020 -0.017341 -0.014685 9C 1f-3 -0.077292 0.025459 0.036326 0.006293 0.019130 -0.070206 10H 1s -0.141264 -0.058090 0.032086 -0.078073 0.045984 0.172596 10H 2s -0.030667 -0.127373 0.133971 0.080383 -0.060894 -0.373271 10H 3s -0.197269 0.003289 -0.049592 -0.083547 0.139664 0.093245 10H 1pz -0.015375 -0.081171 -0.163019 -0.054910 0.029707 -0.250668 10H 1px 0.039136 0.087875 -0.101003 0.002215 -0.002084 -0.049754 10H 1py 0.074447 0.110127 0.331459 0.297179 -0.147776 -0.053402 11H 1s 0.183019 0.138073 -0.070923 0.073283 -0.067008 -0.122781 11H 2s -0.490394 -0.151736 -0.848418 -0.544022 0.342102 -0.113297 11H 3s -0.204350 0.014217 0.087545 0.118273 -0.031944 0.058429 11H 1pz -0.106387 -0.126509 -0.415233 -0.259710 0.146735 -0.130016 11H 1px -0.092235 0.081527 -0.081610 -0.057424 0.029463 0.143652 11H 1py -0.026376 -0.002569 0.057796 -0.044706 0.015639 0.149041 12H 1s 0.161940 -0.081945 -0.034973 -0.019433 0.005274 -0.062065 12H 2s -0.078136 0.100823 1.045344 0.538079 -0.228524 0.519318 12H 3s -0.165274 -0.059896 -0.035084 -0.016303 0.059857 0.008166 12H 1pz -0.029088 0.023337 0.183641 0.114442 -0.058099 0.102408 12H 1px -0.066592 0.005521 -0.007653 -0.096238 0.052689 0.221999 12H 1py 0.075997 0.025134 0.481640 0.292078 -0.132145 0.138900 13H 1s 0.031771 0.145136 -0.013020 -0.047547 -0.067712 0.001975 13H 2s 0.288705 -0.166518 0.013956 0.099411 -0.224749 0.322229 13H 3s 0.157720 -0.014119 0.059169 -0.095181 0.047078 0.006072 13H 1pz 0.088679 -0.123471 -0.092835 0.273690 -0.312892 0.130228 13H 1px -0.037552 -0.083743 -0.074088 0.186098 -0.093859 -0.043260 13H 1py -0.037372 -0.011855 -0.062638 0.068922 -0.147031 -0.032461 14H 1s -0.164516 0.022260 0.052051 -0.055724 0.072598 0.048912 14H 2s -0.058296 -0.001394 -0.192873 0.582772 -1.027017 0.141118 14H 3s -0.005011 0.058873 0.084095 -0.058780 0.062014 0.004991 14H 1pz -0.025580 -0.121826 -0.090819 0.329022 -0.383307 0.122546 14H 1px -0.081424 0.098326 -0.025273 0.073045 -0.228904 0.002096 14H 1py -0.011175 -0.020129 0.070305 -0.118579 0.179669 -0.011586 15H 1s 0.024123 -0.213379 -0.034876 0.057050 0.129480 -0.066259 15H 2s 0.126742 0.400293 0.174117 -0.511360 0.683650 -0.363005 15H 3s 0.087314 0.000320 -0.075953 0.110904 -0.089380 0.038887 15H 1pz -0.020131 0.029972 0.032962 -0.058180 -0.035940 0.072109 15H 1px 0.018279 0.079029 -0.052974 0.002573 -0.065905 -0.081811 15H 1py -0.025381 -0.142885 -0.107260 0.267618 -0.364842 0.112697 16H 1s 0.298294 0.261270 -0.041001 0.013144 -0.030162 -0.137880 16H 2s -0.966101 -0.833163 0.091491 -0.069408 0.056522 0.512054 16H 3s 0.430779 0.331835 -0.090494 -0.036539 -0.047077 -0.036906 16H 1pz -0.385351 -0.316211 0.009622 -0.081227 -0.013656 0.247385 16H 1px 0.076420 0.145353 -0.068554 -0.080482 -0.055004 0.246487 16H 1py -0.171260 -0.147234 0.061245 0.083474 0.028587 -0.257832 17H 1s -0.219299 -0.286262 0.042483 0.012890 0.002884 -0.144376 17H 2s 0.725062 0.925072 -0.161526 -0.089806 -0.056250 0.513897 17H 3s -0.333049 -0.378785 0.019286 -0.017013 -0.014423 -0.050079 17H 1pz -0.159259 -0.135913 0.088533 0.144153 0.063440 -0.378191 17H 1px -0.264533 -0.314499 0.031739 -0.005763 -0.000211 0.011864 17H 1py 0.232605 0.199742 0.008964 0.053921 0.009757 -0.201683 18H 1s 0.219600 -0.286700 -0.022593 0.012408 0.000730 -0.145858 18H 2s -0.728556 0.934077 0.095607 -0.090166 0.049354 0.520817 18H 3s 0.333081 -0.374497 0.001414 -0.018999 0.021054 -0.048017 18H 1pz -0.172109 0.153408 0.065213 -0.146452 0.071247 0.382183 18H 1px -0.263152 0.315622 0.013867 0.007987 -0.005850 -0.016007 18H 1py 0.226419 -0.190268 0.013493 -0.058843 0.015999 0.216088 19H 1s -0.297901 0.261283 0.028112 0.013861 0.026123 -0.141757 19H 2s 0.962301 -0.829812 -0.055062 -0.073386 -0.042110 0.524117 19H 3s -0.430553 0.337005 0.068758 -0.036948 0.045237 -0.037221 19H 1pz -0.378349 0.307736 0.001561 0.085466 -0.023041 -0.258504 19H 1px 0.084274 -0.155587 -0.050522 0.082805 -0.058777 -0.252688 19H 1py -0.182236 0.159834 0.041908 -0.081619 0.031359 0.255147 20H 1s -0.022697 -0.207039 0.051388 0.050715 -0.129148 -0.062082 20H 2s -0.124142 0.375680 -0.211509 -0.504672 -0.689194 -0.351315 20H 3s -0.091204 0.011254 0.085329 0.107330 0.086607 0.036336 20H 1pz -0.019605 -0.026440 0.041759 0.053490 -0.038381 -0.068893 20H 1px 0.018386 -0.085887 -0.049208 -0.001700 -0.066719 0.076609 20H 1py -0.022567 0.127571 -0.127471 -0.264788 -0.367957 -0.109110 21H 1s 0.164957 0.007310 -0.055397 -0.054842 -0.072403 0.047361 21H 2s 0.048704 0.031833 0.218304 0.587237 1.031794 0.130765 21H 3s 0.001237 0.051791 -0.086900 -0.050771 -0.060576 0.003402 21H 1pz -0.021744 0.105761 -0.113195 -0.324509 -0.382223 -0.115983 21H 1px -0.080120 -0.101989 -0.022244 -0.075671 -0.230509 -0.001343 21H 1py -0.012623 0.031088 0.076501 0.116398 0.180796 0.014487 22H 1s -0.029554 0.152294 -0.000304 -0.045220 0.069564 0.004375 22H 2s -0.293367 -0.169597 -0.014211 0.099147 0.214056 0.297819 22H 3s -0.160415 -0.012737 -0.064882 -0.086468 -0.042140 0.009931 22H 1pz 0.091402 0.110150 -0.111564 -0.269902 -0.309686 -0.121956 22H 1px -0.036503 0.076198 -0.093799 -0.179366 -0.090170 0.043010 22H 1py -0.037075 -0.000650 -0.065965 -0.067613 -0.152653 0.025931 23H 1s -0.173204 -0.064201 0.035431 -0.016274 -0.002537 -0.065113 23H 2s 0.111068 0.042003 -1.004300 0.621144 0.233141 0.490738 23H 3s 0.162384 -0.053974 0.035905 -0.019321 -0.059541 0.010994 23H 1pz -0.035452 -0.006026 0.174781 -0.125987 -0.056131 -0.098276 23H 1px -0.059279 -0.014742 0.000968 0.097785 0.046675 -0.221141 23H 1py 0.058972 0.003103 0.456737 -0.329351 -0.131535 -0.127806 24H 1s -0.170225 0.128042 0.068923 0.070492 0.061151 -0.122439 24H 2s 0.452143 -0.100062 0.814182 -0.622839 -0.343252 -0.087923 24H 3s 0.208897 0.003271 -0.074574 0.119408 0.025950 0.056149 24H 1pz -0.088212 0.098819 -0.403424 0.295480 0.145557 0.122025 24H 1px -0.090541 -0.081198 -0.073636 0.067577 0.030545 -0.145171 24H 1py -0.028454 0.001838 0.060578 0.040527 0.011042 -0.149278 25H 1s 0.138097 -0.063389 -0.037389 -0.078920 -0.040500 0.175873 25H 2s 0.045040 -0.133777 -0.101064 0.080885 0.053347 -0.376675 25H 3s 0.198625 -0.000793 0.037651 -0.088366 -0.137802 0.101951 25H 1pz -0.008576 0.064504 -0.170261 0.070139 0.033048 0.248398 25H 1px 0.044265 -0.095833 -0.098911 0.006517 0.002156 0.050500 25H 1py 0.056046 -0.084502 0.306285 -0.321770 -0.139873 0.061869 26O 1s -0.000467 0.000342 0.001918 -0.002234 0.005323 -0.001325 26O 2s -0.000017 0.004011 0.004261 -0.007216 0.016675 -0.004166 26O 3s -0.003175 -0.064482 0.006171 0.036409 -0.068153 0.033127 26O 4s 0.081176 0.271866 -0.176841 0.038277 -0.145280 -0.127405 26O 5s -1.537014 -0.435944 0.246449 0.021804 0.414460 -0.126306 26O 1pz -0.051521 -0.080008 0.059590 -0.038624 0.018901 0.014493 26O 1px 0.004750 -0.017014 0.050390 0.050236 -0.063005 -0.016048 26O 1py -0.070824 -0.040374 -0.090056 -0.046130 0.014864 -0.006814 26O 2pz 0.148978 0.119560 -0.052267 0.041906 -0.017129 0.003263 26O 2px 0.153429 -0.028003 0.023898 -0.080878 0.165101 0.157417 26O 2py 0.164100 0.049441 0.073899 0.020884 0.028094 0.048148 26O 3pz -0.205481 0.133446 0.092396 0.043056 0.114357 -0.394221 26O 3px 0.623803 0.226125 0.061365 0.228370 -0.268582 -0.302581 26O 3py 0.007009 0.188115 -0.357738 -0.172564 0.018120 -0.415335 26O 1dz2 -0.001685 0.000371 0.004648 0.003787 -0.002540 -0.005021 26O 1dxz -0.000089 -0.002490 0.003333 0.000862 -0.002637 -0.001165 26O 1dyz -0.004486 -0.003289 -0.000816 -0.001003 -0.001852 -0.007341 26O 1dx2y2 -0.003561 -0.001181 0.002970 -0.000741 -0.000242 0.004621 26O 1dxy -0.002760 -0.002680 0.003032 0.001714 -0.001770 0.003467 26O 2dz2 0.036045 0.068220 0.095622 0.120757 -0.050139 -0.078196 26O 2dxz -0.189340 -0.007856 0.021203 0.054749 -0.015357 0.026320 26O 2dyz -0.173939 0.025606 -0.082112 -0.035434 0.013419 -0.094086 26O 2dx2y2 -0.138175 -0.055820 -0.092495 -0.121484 0.048101 0.017596 26O 2dxy -0.168584 -0.067217 0.233408 0.104984 -0.021180 0.137445 26O 1f0 0.002108 -0.000233 -0.001138 0.001119 -0.001616 -0.000002 26O 1f+1 0.003599 0.003539 0.004810 0.003910 -0.003744 0.000501 26O 1f-1 0.004817 0.006533 0.003686 0.005547 -0.000261 -0.000759 26O 1f+2 -0.002397 -0.003192 0.005929 0.002289 0.000501 0.002998 26O 1f-2 0.001810 0.002361 -0.006773 -0.004173 0.004635 0.000970 26O 1f+3 -0.002437 0.001670 -0.007356 -0.001345 -0.000812 -0.004556 26O 1f-3 -0.000000 0.002757 -0.008911 -0.003992 -0.003693 -0.009515 27O 1s 0.004957 -0.000317 0.004367 -0.001626 -0.003408 0.003718 27O 2s 0.014651 -0.002845 0.013711 -0.005167 -0.008853 0.010701 27O 3s -0.066093 0.034050 -0.050866 0.018484 0.019368 -0.040102 27O 4s -0.047475 -0.113285 -0.143820 0.093412 0.141892 -0.105813 27O 5s 0.727765 0.672254 0.133920 0.000305 -0.286361 0.249403 27O 1pz 0.095584 0.031951 0.036116 -0.045545 0.064127 0.002870 27O 1px -0.008837 -0.018980 -0.037299 0.028385 -0.006437 0.003248 27O 1py -0.045862 -0.050777 0.007968 0.034745 0.064847 -0.063568 27O 2pz -0.095726 -0.059257 -0.014567 0.033928 -0.022213 -0.010608 27O 2px -0.070992 -0.011242 0.177806 -0.107265 -0.040008 0.009591 27O 2py 0.092362 0.099128 -0.027325 -0.026300 -0.059899 0.055570 27O 3pz 0.529143 -0.130131 0.028177 -0.232250 0.260969 0.088805 27O 3px -0.195882 -0.570168 -0.115943 -0.006444 0.152545 -0.152827 27O 3py -0.405952 0.423633 -0.101233 -0.007238 0.119618 -0.161687 27O 1dz2 -0.000156 -0.005936 0.000025 -0.003152 0.006717 -0.001724 27O 1dxz -0.001635 0.002149 -0.001063 0.003293 -0.000136 0.000955 27O 1dyz -0.005753 -0.000260 0.003409 0.000000 -0.000015 -0.001656 27O 1dx2y2 -0.001037 0.003939 -0.001464 -0.002887 0.002958 -0.003227 27O 1dxy -0.001592 -0.008309 0.002890 -0.001212 0.003580 -0.000391 27O 2dz2 -0.027687 -0.122772 0.014969 -0.102367 0.174974 -0.053654 27O 2dxz -0.166986 0.031950 -0.045235 0.165421 -0.183587 0.010102 27O 2dyz -0.100972 0.061980 0.020019 0.024568 -0.040183 -0.024592 27O 2dx2y2 0.012797 0.212792 -0.021175 -0.065455 0.015220 0.001920 27O 2dxy -0.030116 -0.162327 0.026374 -0.016582 -0.006109 0.075072 27O 1f0 -0.001316 0.003068 -0.003919 -0.000924 -0.004822 0.002439 27O 1f+1 0.002481 -0.004404 -0.001263 -0.005801 0.012313 -0.001576 27O 1f-1 -0.001095 0.000822 0.000097 -0.002290 0.002034 -0.000529 27O 1f+2 0.003448 -0.000201 -0.000262 -0.003634 0.002121 0.000229 27O 1f-2 0.000949 0.005193 -0.004963 0.006068 -0.008821 0.004436 27O 1f+3 -0.000841 -0.009149 -0.005280 0.004391 -0.001289 0.004427 27O 1f-3 0.000743 0.002875 0.004018 -0.005633 0.002049 -0.000241 28O 1s 0.002667 0.001316 0.001531 -0.001331 0.003516 0.001328 28O 2s 0.008859 0.004315 0.003428 -0.004769 0.011492 0.002932 28O 3s -0.040764 -0.016178 0.000663 0.031353 -0.053913 0.006018 28O 4s -0.093364 -0.049458 -0.063301 -0.012649 -0.033609 -0.057616 28O 5s 0.528005 -0.396670 0.011074 -0.014071 0.281565 -0.010143 28O 1pz 0.014011 0.002594 -0.052073 -0.063094 0.000801 0.003557 28O 1px 0.055311 -0.058018 -0.051977 -0.077102 0.056175 -0.003803 28O 1py 0.087006 -0.043453 0.111707 0.047269 0.003093 0.106064 28O 2pz -0.080882 -0.016636 0.084158 0.014955 0.053615 0.039271 28O 2px -0.032362 0.011970 0.025340 0.088718 -0.112012 -0.025015 28O 2py -0.089252 0.013132 -0.081312 -0.067990 0.025498 -0.084109 28O 3pz 0.579748 0.773573 -0.076367 0.056901 -0.159532 0.088141 28O 3px 0.392539 -0.349336 -0.033792 -0.168572 0.298222 0.057801 28O 3py 0.479989 0.369019 -0.087787 0.020470 -0.113494 0.036391 28O 1dz2 -0.001339 -0.002685 0.003148 0.001538 0.000318 0.000354 28O 1dxz 0.006396 0.007561 -0.000994 0.001992 0.001966 -0.000992 28O 1dyz -0.000086 0.002003 0.003814 0.005049 -0.005195 0.002282 28O 1dx2y2 0.001837 -0.005790 -0.000612 -0.003542 0.001999 -0.002392 28O 1dxy 0.005048 0.003547 -0.001858 -0.002662 -0.000663 -0.002691 28O 2dz2 -0.013618 0.008780 0.161804 0.151425 -0.058635 -0.014288 28O 2dxz 0.075104 0.253546 0.033509 0.065321 -0.016003 0.031229 28O 2dyz 0.016246 0.102259 -0.073861 0.035107 -0.068655 -0.094710 28O 2dx2y2 0.115916 -0.177819 0.065478 -0.059458 0.046002 0.043358 28O 2dxy 0.157920 0.077159 -0.020344 -0.054878 -0.009003 0.018105 28O 1f0 0.000567 0.001728 0.002538 0.002836 -0.003254 0.001273 28O 1f+1 -0.000416 0.000591 -0.005548 -0.001623 -0.002252 -0.005331 28O 1f-1 -0.002806 -0.002969 -0.003229 -0.004240 0.005290 0.000938 28O 1f+2 -0.005329 -0.002329 -0.003253 -0.001648 0.002963 0.004093 28O 1f-2 -0.002566 -0.001975 0.000796 0.003847 -0.002859 -0.004880 28O 1f+3 -0.002719 -0.003989 0.014743 0.007649 -0.002712 0.005637 28O 1f-3 -0.002796 0.001207 -0.004451 -0.003791 -0.000223 -0.005592 29O 1s 0.002091 -0.000888 0.000051 -0.002125 -0.000728 -0.013059 29O 2s 0.007183 -0.002927 0.000366 -0.005725 -0.002349 -0.044327 29O 3s -0.053312 0.020335 -0.007359 0.007519 0.012096 0.307013 29O 4s 0.087227 -0.023335 0.022487 0.090901 -0.025425 -0.462519 29O 5s 0.082305 -0.070831 0.054382 -0.014713 0.109321 -0.450470 29O 1pz 0.269642 0.283724 -0.061474 -0.028538 -0.045981 0.054948 29O 1px 0.068288 0.111687 0.019582 0.078965 0.022948 -0.086944 29O 1py -0.017268 -0.030903 -0.018827 -0.053157 -0.025473 0.075005 29O 2pz -0.935066 -0.888061 0.150379 0.038383 0.074533 -0.023490 29O 2px -0.279077 -0.352453 0.009412 -0.089643 -0.011203 0.022287 29O 2py 0.045500 0.096700 0.006975 0.020019 0.019253 0.034259 29O 3pz 0.219678 0.111488 -0.059025 -0.090073 0.019759 0.142432 29O 3px 0.015125 0.091172 0.101288 0.246419 0.059717 -0.208039 29O 3py -0.050852 0.024393 -0.113815 -0.122861 -0.048410 0.484236 29O 1dz2 -0.006278 -0.007641 0.001671 0.000986 0.000622 -0.001087 29O 1dxz 0.005408 0.007313 0.000021 0.001945 -0.000881 -0.001469 29O 1dyz -0.014314 -0.011609 0.001438 0.000786 0.000712 -0.000835 29O 1dx2y2 0.001933 0.000675 -0.000839 -0.004208 -0.000621 0.003120 29O 1dxy -0.006327 -0.006034 0.001227 -0.001243 0.000478 0.001690 29O 2dz2 -0.007051 -0.028062 -0.042843 -0.100123 -0.026953 0.341221 29O 2dxz -0.033748 0.066558 -0.035517 -0.034821 -0.043835 0.215064 29O 2dyz 0.044605 0.081732 0.016763 0.063098 0.018046 -0.174607 29O 2dx2y2 0.011453 0.013527 -0.048086 -0.108199 -0.023205 0.179530 29O 2dxy 0.006344 0.012635 -0.041332 -0.105251 -0.047082 0.239961 29O 1f0 -0.009179 -0.004205 -0.001061 -0.005310 -0.000286 0.018206 29O 1f+1 -0.003499 -0.005098 0.001546 0.002874 0.000683 -0.008774 29O 1f-1 -0.032274 -0.026264 0.002735 -0.004368 0.000748 0.018089 29O 1f+2 0.011282 0.010054 -0.000917 0.002127 -0.000647 -0.004461 29O 1f-2 0.037645 0.042098 -0.007535 -0.004102 -0.001954 0.013980 29O 1f+3 -0.011930 -0.010813 0.000773 0.001101 0.000331 0.002438 29O 1f-3 -0.018204 -0.020399 0.002029 0.000353 -0.000368 -0.001720 30O 1s 0.000273 -0.002095 0.004084 -0.000660 -0.003505 0.001523 30O 2s 0.000809 -0.006703 0.013589 -0.003448 -0.008333 0.005001 30O 3s 0.008958 0.019569 -0.067667 0.035667 0.004885 -0.027266 30O 4s -0.063812 0.135370 -0.013419 -0.085699 0.155982 -0.012464 30O 5s -0.899534 0.484425 0.205460 0.127448 0.098354 -0.284758 30O 1pz -0.079227 0.018345 -0.033051 0.089023 -0.097454 0.020533 30O 1px -0.041987 0.003992 0.057254 -0.042411 0.009086 0.027011 30O 1py -0.009581 -0.039206 -0.006624 0.053072 -0.035196 0.009800 30O 2pz 0.157436 -0.070529 0.058440 -0.107347 0.039737 0.054626 30O 2px -0.068018 0.073063 -0.104722 0.037923 0.048805 -0.053490 30O 2py -0.117883 0.102409 -0.045226 -0.021179 0.095147 -0.095329 30O 3pz 0.032605 -0.459636 -0.078536 0.122572 0.010903 -0.327660 30O 3px -0.429879 0.118254 0.238794 -0.162951 0.212223 0.054610 30O 3py 0.093602 0.520609 0.062092 -0.127487 -0.019640 0.285302 30O 1dz2 0.004606 -0.000487 0.001212 0.002289 -0.000575 -0.001240 30O 1dxz 0.001602 -0.003396 0.000885 0.001221 0.000372 -0.004074 30O 1dyz 0.000062 0.000960 0.003956 -0.005100 0.006676 0.000505 30O 1dx2y2 0.000298 0.000578 0.002971 -0.003286 0.005873 0.002910 30O 1dxy 0.002451 0.004455 0.000607 -0.004303 0.000564 0.002643 30O 2dz2 0.135668 0.014914 0.023608 -0.018678 0.062477 -0.071112 30O 2dxz 0.084709 -0.109190 -0.016668 0.025180 0.035772 -0.089203 30O 2dyz 0.089407 0.005207 0.043461 -0.027767 -0.042536 0.029267 30O 2dx2y2 0.061570 -0.007459 0.088335 -0.186376 0.166707 0.031536 30O 2dxy -0.063366 0.153976 0.025884 -0.071294 0.003522 0.036397 30O 1f0 -0.002133 -0.000880 -0.003125 -0.004981 0.013297 -0.006114 30O 1f+1 0.003081 -0.001685 -0.000138 -0.001702 0.000703 -0.000774 30O 1f-1 0.001769 0.000380 0.001692 0.003867 -0.001502 -0.000525 30O 1f+2 0.001117 0.000308 -0.003682 0.006994 -0.009750 0.001008 30O 1f-2 0.001080 -0.002176 0.004056 -0.004975 0.002824 -0.002963 30O 1f+3 0.007183 0.001706 -0.001198 -0.003741 0.006498 0.000211 30O 1f-3 0.003409 0.000597 0.000794 -0.001327 -0.001254 -0.002247 31O 1s -0.000324 -0.002329 -0.004125 -0.000322 0.003545 0.001396 31O 2s -0.000934 -0.007515 -0.013755 -0.002343 0.008516 0.004649 31O 3s -0.008727 0.023819 0.069460 0.030489 -0.006480 -0.026741 31O 4s 0.066886 0.138396 0.007307 -0.088841 -0.153636 -0.005758 31O 5s 0.886807 0.471519 -0.210612 0.140393 -0.109544 -0.263709 31O 1pz -0.079817 -0.019173 -0.036265 -0.087035 -0.098487 -0.021718 31O 1px -0.042093 0.000293 0.063444 0.038521 0.006797 -0.027859 31O 1py -0.009997 0.038716 -0.014053 -0.053396 -0.036856 -0.009429 31O 2pz 0.158263 0.073464 0.064441 0.102353 0.038824 -0.049715 31O 2px -0.067777 -0.081225 -0.109003 -0.028604 0.051114 0.048427 31O 2py -0.117432 -0.101491 -0.042381 0.027063 0.098966 0.090525 31O 3pz 0.028144 0.467932 -0.117063 -0.115928 0.007860 0.325414 31O 3px -0.422674 -0.100347 0.261205 0.147832 0.207929 -0.069038 31O 3py 0.099026 -0.532864 0.101422 0.113499 -0.020132 -0.281577 31O 1dz2 -0.004562 -0.000219 -0.000927 0.002539 0.000630 -0.001243 31O 1dxz -0.001647 -0.003391 -0.000446 0.001316 -0.000416 -0.004044 31O 1dyz 0.000111 0.000544 -0.004334 -0.004861 -0.006642 0.000511 31O 1dx2y2 -0.000171 0.000491 -0.003348 -0.003018 -0.005686 0.003026 31O 1dxy -0.002526 0.004431 -0.001205 -0.004173 -0.000485 0.002554 31O 2dz2 -0.133420 0.020993 -0.021756 -0.016130 -0.065770 -0.072675 31O 2dxz -0.084527 -0.110635 0.028861 0.024945 -0.035782 -0.088883 31O 2dyz -0.086684 0.004377 -0.050249 -0.023996 0.043744 0.026984 31O 2dx2y2 -0.059366 -0.008730 -0.108076 -0.180840 -0.161511 0.036672 31O 2dxy 0.061591 0.152455 -0.039103 -0.068328 -0.002454 0.036349 31O 1f0 -0.002229 0.000960 -0.003089 0.005416 0.013316 0.005696 31O 1f+1 0.003108 0.001574 -0.000011 0.001639 0.000631 0.000850 31O 1f-1 0.001747 -0.000446 0.001456 -0.004029 -0.001349 0.000753 31O 1f+2 0.001167 -0.000317 -0.004080 -0.006849 -0.009644 -0.000684 31O 1f-2 0.001019 0.002418 0.004247 0.004721 0.002741 0.002996 31O 1f+3 0.007113 -0.001596 -0.000836 0.003832 0.006592 -0.000203 31O 1f-3 0.003514 -0.000519 0.000932 0.001264 -0.001092 0.002438 32O 1s -0.002136 -0.000842 -0.000086 -0.002139 0.000878 -0.013268 32O 2s -0.007335 -0.002805 -0.000344 -0.005756 0.002782 -0.045032 32O 3s 0.053980 0.020579 0.004109 0.007331 -0.013368 0.311831 32O 4s -0.088973 -0.025678 -0.007142 0.091819 0.022703 -0.469801 32O 5s -0.069463 -0.081066 -0.052545 -0.010721 -0.112490 -0.457170 32O 1pz 0.270797 -0.286522 -0.039245 0.026531 -0.042503 -0.050571 32O 1px 0.065134 -0.107242 0.018497 -0.081183 0.029920 0.089343 32O 1py -0.009319 0.019029 -0.016031 0.054303 -0.029666 -0.076156 32O 2pz -0.937863 0.895556 0.093784 -0.035727 0.064683 0.020286 32O 2px -0.274471 0.347577 -0.001999 0.091832 -0.021288 -0.022819 32O 2py 0.022454 -0.070958 0.013238 -0.021013 0.022914 -0.035166 32O 3pz 0.222100 -0.115216 -0.039757 0.086377 0.018151 -0.134828 32O 3px 0.014102 -0.079121 0.079200 -0.252206 0.074089 0.217646 32O 3py -0.041462 -0.040405 -0.097687 0.129238 -0.055463 -0.495474 32O 1dz2 0.005768 -0.007327 -0.001082 0.001009 -0.000564 -0.001106 32O 1dxz -0.005675 0.007544 -0.000140 0.001953 0.000732 -0.001513 32O 1dyz 0.014553 -0.011912 -0.000746 0.000690 -0.000630 -0.000787 32O 1dx2y2 -0.002229 0.001006 0.000345 -0.004237 0.000829 0.003157 32O 1dxy 0.006064 -0.005928 -0.001022 -0.001261 -0.000332 0.001734 32O 2dz2 0.004350 -0.023173 0.033471 -0.104642 0.035495 0.357821 32O 2dxz 0.030938 0.070406 0.025320 -0.034331 0.044197 0.213542 32O 2dyz -0.041260 0.078534 -0.010584 0.056476 -0.020519 -0.156561 32O 2dx2y2 -0.008923 0.015330 0.032818 -0.109040 0.027113 0.181889 32O 2dxy -0.010333 0.021211 0.029950 -0.109653 0.055007 0.253970 32O 1f0 -0.007320 0.002553 -0.000671 0.005101 -0.000613 -0.017351 32O 1f+1 -0.004544 0.006517 0.001082 -0.003210 0.000860 0.009830 32O 1f-1 -0.031936 0.025643 0.001751 0.004730 0.000127 -0.019263 32O 1f+2 0.011475 -0.009879 -0.000607 -0.002351 -0.000453 0.005406 32O 1f-2 0.038472 -0.042994 -0.004668 0.003998 -0.001669 -0.013607 32O 1f+3 -0.010272 0.009019 -0.000098 -0.000926 0.000180 -0.003005 32O 1f-3 -0.018576 0.020547 0.000837 -0.000220 -0.000637 0.001357 33O 1s -0.002578 0.001257 -0.001691 -0.001299 -0.003481 0.001423 33O 2s -0.008612 0.004182 -0.004095 -0.004700 -0.011381 0.003284 33O 3s 0.040439 -0.016340 0.004465 0.031340 0.053242 0.003941 33O 4s 0.086978 -0.048804 0.057771 -0.014234 0.034732 -0.057636 33O 5s -0.545524 -0.382158 0.008400 0.002377 -0.276124 -0.021627 33O 1pz 0.014100 -0.004320 -0.049613 0.068146 0.000034 -0.002858 33O 1px 0.054905 0.057634 -0.047891 0.080386 0.053582 0.002390 33O 1py 0.086376 0.046007 0.107796 -0.058117 0.000002 -0.101718 33O 2pz -0.085899 0.024466 0.082991 -0.017954 0.053134 -0.043964 33O 2px -0.028739 -0.012325 0.019015 -0.092589 -0.109772 0.030208 33O 2py -0.090770 -0.012831 -0.077144 0.077770 0.027516 0.078689 33O 3pz 0.569197 -0.785707 -0.036369 -0.056314 -0.145105 -0.082079 33O 3px 0.399920 0.348699 -0.035872 0.161289 0.284148 -0.055701 33O 3py 0.475915 -0.384962 -0.063289 -0.023229 -0.108760 -0.030466 33O 1dz2 0.001244 -0.002447 -0.002483 0.001566 -0.000366 0.000213 33O 1dxz -0.006424 0.007702 0.000718 0.001986 -0.002130 -0.001003 33O 1dyz 0.000232 0.001775 -0.003301 0.005229 0.005089 0.001966 33O 1dx2y2 -0.001898 -0.005631 0.000640 -0.003573 -0.001867 -0.002292 33O 1dxy -0.004997 0.003788 0.001425 -0.002700 0.000597 -0.002726 33O 2dz2 0.011560 0.013415 -0.147568 0.164420 0.054668 -0.018448 33O 2dxz -0.071284 0.252635 -0.041432 0.067782 0.010901 0.031416 33O 2dyz -0.016709 0.107619 0.073618 0.030016 0.063306 -0.095212 33O 2dx2y2 -0.115255 -0.181655 -0.062586 -0.052309 -0.038939 0.042318 33O 2dxy -0.154546 0.081632 0.008050 -0.052306 0.010084 0.017530 33O 1f0 0.000649 -0.001586 0.002629 -0.003192 -0.003316 -0.001137 33O 1f+1 -0.000275 -0.001096 -0.005394 0.001980 -0.002123 0.005263 33O 1f-1 -0.002858 0.003125 -0.003032 0.004654 0.005236 -0.001237 33O 1f+2 -0.005155 0.002143 -0.003384 0.002181 0.002890 -0.004232 33O 1f-2 -0.002688 0.002046 -0.000031 -0.003771 -0.002700 0.004995 33O 1f+3 -0.002896 0.004531 0.013834 -0.008725 -0.002771 -0.005425 33O 1f-3 -0.002964 -0.001294 -0.003993 0.004063 -0.000222 0.005366 34O 1s -0.004983 -0.000432 -0.004624 -0.001219 0.003473 0.003485 34O 2s -0.014729 -0.003255 -0.014323 -0.003895 0.009126 0.010069 34O 3s 0.066590 0.036477 0.050466 0.013246 -0.021647 -0.038224 34O 4s 0.047725 -0.119018 0.170000 0.084124 -0.139293 -0.101228 34O 5s -0.738846 0.691122 -0.172285 0.031954 0.284601 0.232972 34O 1pz 0.092788 -0.031741 0.044013 0.042928 0.065528 -0.001347 34O 1px -0.008152 0.017495 -0.040664 -0.024485 -0.005078 -0.002859 34O 1py -0.046942 0.051681 -0.001065 -0.032542 0.066953 0.061727 34O 2pz -0.093337 0.060253 -0.023848 -0.032116 -0.023550 0.008932 34O 2px -0.072638 0.015857 0.190545 0.095701 -0.041468 -0.008961 34O 2py 0.093753 -0.102638 -0.018326 0.024241 -0.062053 -0.053394 34O 3pz 0.530666 0.124001 0.040693 0.225590 0.258468 -0.088056 34O 3px -0.200362 0.569377 -0.153416 0.028362 0.152567 0.146546 34O 3py -0.409503 -0.418194 -0.083715 0.019559 0.131456 0.152363 34O 1dz2 0.000164 -0.006208 0.000236 -0.003289 -0.006640 -0.001523 34O 1dxz 0.001750 0.001943 0.001159 0.003141 -0.000044 0.000844 34O 1dyz 0.005729 -0.000357 -0.003309 0.000244 0.000115 -0.001486 34O 1dx2y2 0.001103 0.003831 0.001041 -0.003009 -0.003002 -0.003102 34O 1dxy 0.001538 -0.008474 -0.002432 -0.001049 -0.003256 -0.000174 34O 2dz2 0.027868 -0.131314 -0.012002 -0.105159 -0.174539 -0.050330 34O 2dxz 0.165378 0.031332 0.058299 0.162049 0.182307 0.008441 34O 2dyz 0.102354 0.060201 -0.021791 0.025931 0.038510 -0.024735 34O 2dx2y2 -0.011032 0.209219 0.001859 -0.063877 -0.015147 0.002608 34O 2dxy 0.030195 -0.169255 -0.024468 -0.014287 0.012419 0.075598 34O 1f0 -0.001274 -0.003383 -0.003452 0.001160 -0.004894 -0.002473 34O 1f+1 0.002593 0.004505 -0.001257 0.005996 0.012128 0.001272 34O 1f-1 -0.001194 -0.000617 0.000295 0.002280 0.001930 0.000425 34O 1f+2 0.003344 0.000099 -0.000048 0.003592 0.001925 -0.000242 34O 1f-2 0.000955 -0.005502 -0.004924 -0.005811 -0.008667 -0.004248 34O 1f+3 -0.000729 0.009003 -0.006103 -0.003992 -0.001516 -0.004603 34O 1f-3 0.000716 -0.002719 0.004581 0.005328 0.002082 0.000365 35O 1s 0.000540 0.000059 -0.002093 -0.002245 -0.005264 -0.001246 35O 2s 0.000205 0.003248 -0.005076 -0.007292 -0.016518 -0.003854 35O 3s 0.003186 -0.063811 0.001501 0.037487 0.068131 0.030569 35O 4s -0.088036 0.297915 0.159775 0.034766 0.138652 -0.122713 35O 5s 1.529770 -0.459381 -0.215605 0.013766 -0.415019 -0.102255 35O 1pz -0.052853 0.082608 0.059796 0.034333 0.015416 -0.016519 35O 1px 0.004203 0.016603 0.043761 -0.054320 -0.061467 0.019302 35O 1py -0.070516 0.038512 -0.090518 0.055682 0.013658 0.002662 35O 2pz 0.149148 -0.122018 -0.050347 -0.039835 -0.014072 0.000131 35O 2px 0.151467 0.039839 0.030150 0.081083 0.158729 -0.156824 35O 2py 0.163242 -0.043857 0.077189 -0.028985 0.027865 -0.042494 35O 3pz -0.221651 -0.116631 0.100988 -0.049978 0.119050 0.383415 35O 3px 0.611762 -0.227726 0.057086 -0.241988 -0.259502 0.319476 35O 3py -0.000801 -0.193783 -0.335933 0.203732 0.025115 0.404900 35O 1dz2 0.001884 0.000012 -0.004318 0.004148 0.002436 -0.005088 35O 1dxz 0.000045 -0.002592 -0.002967 0.001074 0.002593 -0.001342 35O 1dyz 0.004539 -0.003116 0.001119 -0.001237 0.001727 -0.007332 35O 1dx2y2 0.003544 -0.001545 -0.003002 -0.000499 0.000396 0.004511 35O 1dxy 0.002717 -0.002708 -0.002728 0.001876 0.001820 0.003337 35O 2dz2 -0.030930 0.057925 -0.089051 0.129032 0.046701 -0.081344 35O 2dxz 0.184575 -0.011310 -0.010499 0.049811 0.011468 0.023830 35O 2dyz 0.173255 0.026513 0.079551 -0.045124 -0.016947 -0.091953 35O 2dx2y2 0.136902 -0.058257 0.085619 -0.130518 -0.044507 0.022493 35O 2dxy 0.167684 -0.075475 -0.222287 0.121494 0.022842 0.133618 35O 1f0 0.002192 -0.000014 -0.001285 -0.001072 -0.001597 0.000143 35O 1f+1 0.003460 -0.003455 0.004971 -0.004552 -0.003750 -0.000386 35O 1f-1 0.004758 -0.006427 0.003423 -0.005913 -0.000065 0.000867 35O 1f+2 -0.002411 0.003354 0.005559 -0.002633 0.000439 -0.002987 35O 1f-2 0.001897 -0.002589 -0.006022 0.004582 0.004529 -0.001210 35O 1f+3 -0.002252 -0.002059 -0.006999 0.001852 -0.000690 0.004369 35O 1f-3 -0.000156 -0.003303 -0.008509 0.004567 -0.003532 0.009293 432 433 434 435 436 437 2.42308 2.43131 2.43173 2.43806 2.45119 2.45901 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s -0.001438 0.000038 0.001449 0.000283 0.001035 -0.001903 0Rh 2s 0.006244 -0.000394 -0.007506 -0.002987 -0.009782 0.009689 0Rh 3s -0.004687 -0.000014 0.003977 -0.000153 0.000143 -0.005331 0Rh 4s -0.032076 0.001970 0.038316 0.015367 0.050137 -0.049507 0Rh 5s 0.045090 -0.003388 -0.057178 -0.032605 -0.099892 0.072754 0Rh 6s 0.020212 -0.000649 -0.023377 0.036764 0.074991 0.037074 0Rh 7s -0.099018 0.022607 0.238415 -0.290960 -0.021691 -0.273561 0Rh 8s 0.732064 0.100553 -0.051746 0.208957 0.213044 -0.165949 0Rh 1pz -0.000704 -0.001112 0.000337 0.012853 -0.001980 -0.001711 0Rh 1px 0.003657 -0.000002 0.004221 0.003041 0.004557 -0.000409 0Rh 1py 0.002409 -0.001172 -0.011056 0.000885 -0.003244 -0.008073 0Rh 2pz 0.002811 0.003920 -0.001202 -0.045788 0.007300 0.006222 0Rh 2px -0.013282 0.000040 -0.014932 -0.011327 -0.016382 0.001344 0Rh 2py -0.008662 0.003825 0.039591 -0.003242 0.011521 0.028845 0Rh 3pz -0.008711 -0.002487 0.000940 0.037469 -0.011035 -0.007593 0Rh 3px 0.015971 -0.000825 0.010011 0.019759 0.016125 0.001330 0Rh 3py 0.008454 0.004342 -0.036840 0.004452 -0.008344 -0.025188 0Rh 4pz 0.017164 -0.015915 0.005094 0.164202 -0.005269 -0.013270 0Rh 4px 0.027316 0.003457 0.062665 -0.003905 0.048498 -0.014890 0Rh 4py 0.028126 -0.045582 -0.123047 0.004910 -0.049105 -0.097426 0Rh 5pz -0.041650 0.023054 -0.010517 -0.289906 0.000561 0.030251 0Rh 5px -0.034141 -0.005064 -0.110225 0.021141 -0.067912 0.027466 0Rh 5py -0.064698 0.087881 0.213734 -0.015218 0.116242 0.175472 0Rh 6pz 0.418498 0.074077 -0.233561 -1.140675 0.372375 0.059179 0Rh 6px -0.808928 -0.122863 -0.269556 -0.607738 -1.051742 -0.142907 0Rh 6py -0.010867 0.022027 1.104530 0.084129 -0.532066 0.353863 0Rh 1dz2 0.002143 0.009934 -0.000118 -0.001888 -0.015786 -0.008418 0Rh 1dxz -0.001912 -0.000529 0.003897 0.005495 -0.020386 -0.001123 0Rh 1dyz -0.009126 0.016216 0.000487 -0.001770 0.003852 -0.003119 0Rh 1dx2y2 0.009608 0.000279 -0.003462 0.002619 0.012650 0.006761 0Rh 1dxy 0.000464 0.012417 -0.003355 -0.005115 0.006093 0.001098 0Rh 2dz2 0.003721 -0.003911 -0.001408 0.000365 0.001422 -0.002899 0Rh 2dxz 0.003358 0.000734 -0.001364 -0.001712 0.002606 0.001524 0Rh 2dyz 0.003601 -0.009748 -0.002594 -0.002002 -0.000780 -0.007393 0Rh 2dx2y2 -0.004487 -0.002033 0.000495 -0.000271 -0.005104 -0.003662 0Rh 2dxy -0.000900 -0.003123 0.001951 -0.001017 -0.001961 -0.002960 0Rh 3dz2 -0.022926 -0.009557 0.006694 0.003737 0.037364 0.036539 0Rh 3dxz -0.009948 -0.001860 -0.004741 -0.007851 0.044810 -0.003796 0Rh 3dyz 0.008753 -0.000074 0.010217 0.013891 -0.007144 0.042440 0Rh 3dx2y2 -0.006186 0.008504 0.007205 -0.005979 -0.011947 -0.002326 0Rh 3dxy 0.002741 -0.019907 0.000864 0.018756 -0.007988 0.010500 0Rh 4dz2 0.061000 -0.065110 -0.021271 0.002743 0.023592 -0.046609 0Rh 4dxz 0.054080 0.011840 -0.019400 -0.020873 0.042485 0.023860 0Rh 4dyz 0.058954 -0.163442 -0.036467 -0.031052 -0.011685 -0.123074 0Rh 4dx2y2 -0.072366 -0.033236 0.009952 -0.005335 -0.081478 -0.055549 0Rh 4dxy -0.013661 -0.054667 0.024524 -0.015529 -0.031959 -0.049894 0Rh 5dz2 -0.261508 0.383286 0.059068 0.006364 -0.248259 0.175120 0Rh 5dxz -0.258955 -0.063687 0.094301 0.071219 -0.363913 -0.099839 0Rh 5dyz -0.319554 0.902099 0.076667 0.143789 0.043031 0.620036 0Rh 5dx2y2 0.386454 0.156002 -0.083838 0.063257 0.480255 0.271732 0Rh 5dxy 0.051156 0.367859 -0.091924 0.033453 0.201994 0.275103 0Rh 1f0 -0.079044 0.043426 0.073817 0.063690 -0.061938 0.147949 0Rh 1f+1 0.073011 -0.016841 0.043743 -0.032928 0.062833 -0.120778 0Rh 1f-1 -0.029959 0.044241 0.068631 -0.098311 0.026452 0.219451 0Rh 1f+2 0.090632 0.035190 0.052482 0.167315 0.063332 0.096550 0Rh 1f-2 0.054922 -0.116458 0.162078 -0.076547 0.054912 -0.232238 0Rh 1f+3 0.094061 0.033532 -0.052587 -0.050712 0.096103 0.001802 0Rh 1f-3 0.049692 0.061214 -0.000693 0.049902 0.089225 0.183515 1Rh 1s 0.001394 0.000287 0.001401 0.000286 -0.000944 -0.002042 1Rh 2s -0.006070 -0.001357 -0.007339 -0.003053 0.009259 0.010876 1Rh 3s 0.004534 0.000868 0.003798 -0.000170 0.000074 -0.005427 1Rh 4s 0.031191 0.006969 0.037446 0.015695 -0.047460 -0.055596 1Rh 5s -0.044086 -0.010325 -0.056061 -0.033254 0.095566 0.084572 1Rh 6s -0.018228 -0.003060 -0.022699 0.037038 -0.075247 0.029129 1Rh 7s 0.085958 0.016804 0.240377 -0.287424 0.034236 -0.273379 1Rh 8s -0.735375 -0.100851 -0.014408 0.221100 -0.200521 -0.175373 1Rh 1pz -0.000916 -0.001315 -0.000121 -0.012771 -0.002580 0.001530 1Rh 1px 0.003550 -0.001023 -0.004171 -0.002967 0.004492 0.000823 1Rh 1py 0.002828 0.001468 0.010961 -0.000892 -0.004122 0.007622 1Rh 2pz 0.003557 0.004638 0.000455 0.045482 0.009461 -0.005566 1Rh 2px -0.012883 0.003678 0.014755 0.011057 -0.016163 -0.002830 1Rh 2py -0.010155 -0.005614 -0.039170 0.003278 0.014662 -0.027242 1Rh 3pz -0.009150 -0.002982 -0.000747 -0.036968 -0.013304 0.006797 1Rh 3px 0.015278 -0.003799 -0.009867 -0.019449 0.016213 0.000138 1Rh 3py 0.009662 0.012835 0.034731 -0.004712 -0.011140 0.024088 1Rh 4pz 0.013768 -0.019043 -0.000939 -0.164159 -0.010961 0.011897 1Rh 4px 0.027419 -0.009554 -0.062102 0.004579 0.046555 0.019216 1Rh 4py 0.033492 -0.015054 0.129026 -0.004120 -0.059380 0.090415 1Rh 5pz -0.035248 0.029270 0.004387 0.290074 0.010277 -0.028036 1Rh 5px -0.034699 0.017054 0.108585 -0.023038 -0.064050 -0.033110 1Rh 5py -0.073820 0.034851 -0.225870 0.013864 0.133903 -0.159724 1Rh 6pz 0.414657 0.129348 0.205358 1.132516 0.424582 -0.035458 1Rh 6px -0.791578 -0.039202 0.309420 0.627932 -1.057103 0.037277 1Rh 6py -0.056535 -0.238458 -1.071979 -0.078770 -0.466777 -0.405241 1Rh 1dz2 -0.002040 -0.009541 0.001906 -0.001535 0.015879 -0.006767 1Rh 1dxz 0.001642 0.001422 0.003679 0.005457 0.020439 0.000765 1Rh 1dyz 0.008784 -0.015775 0.003807 -0.001369 -0.003357 -0.003976 1Rh 1dx2y2 -0.009505 -0.001172 -0.003062 0.002732 -0.012707 0.005347 1Rh 1dxy -0.000787 -0.012865 -0.000760 -0.004930 -0.005750 0.000420 1Rh 2dz2 -0.003882 0.003460 -0.002143 0.000364 -0.000817 -0.002918 1Rh 2dxz -0.003334 -0.001037 -0.001082 -0.001666 -0.002708 0.001285 1Rh 2dyz -0.004066 0.008775 -0.004547 -0.002114 0.002151 -0.007105 1Rh 2dx2y2 0.004346 0.002080 -0.000057 -0.000348 0.005395 -0.003185 1Rh 2dxy 0.000759 0.003425 0.001184 -0.001075 0.002433 -0.002721 1Rh 3dz2 0.023369 0.010515 0.004462 0.002771 -0.040364 0.032029 1Rh 3dxz 0.010584 0.000724 -0.005413 -0.007960 -0.044497 -0.007963 1Rh 3dyz -0.005701 0.003236 0.010014 0.013304 -0.000471 0.043503 1Rh 3dx2y2 0.006536 -0.006264 0.008622 -0.005938 0.010796 -0.000562 1Rh 3dxy -0.001199 0.019876 -0.002795 0.018514 0.004879 0.011289 1Rh 4dz2 -0.063498 0.058122 -0.033511 0.002584 -0.014068 -0.046869 1Rh 4dxz -0.053654 -0.016014 -0.014942 -0.020085 -0.044082 0.019988 1Rh 4dyz -0.066192 0.148925 -0.069380 -0.033118 0.033795 -0.118332 1Rh 4dx2y2 0.070228 0.034279 0.000888 -0.006651 0.086013 -0.047911 1Rh 4dxy 0.011313 0.057928 0.011509 -0.016605 0.039733 -0.045899 1Rh 5dz2 0.272200 -0.357083 0.133072 0.011064 0.207170 0.190622 1Rh 5dxz 0.254939 0.082683 0.071909 0.066834 0.370451 -0.066150 1Rh 5dyz 0.345643 -0.854605 0.260981 0.159396 -0.139990 0.594208 1Rh 5dx2y2 -0.377901 -0.168942 -0.039121 0.071117 -0.499646 0.223898 1Rh 5dxy -0.043388 -0.376236 -0.009611 0.041102 -0.236208 0.249607 1Rh 1f0 -0.084196 0.025004 -0.080528 -0.063413 -0.048185 -0.151784 1Rh 1f+1 0.074120 -0.026646 -0.040388 0.032626 0.050031 0.124022 1Rh 1f-1 -0.033937 0.027841 -0.075733 0.096700 0.055756 -0.214998 1Rh 1f+2 0.084576 0.018747 -0.061749 -0.167102 0.071725 -0.089085 1Rh 1f-2 0.054300 -0.150954 -0.134618 0.078723 0.030880 0.235270 1Rh 1f+3 0.096735 0.044759 0.042476 0.049008 0.098996 0.005980 1Rh 1f-3 0.047266 0.058611 -0.012823 -0.051980 0.108285 -0.172925 2C 1s -0.000048 0.002278 -0.001635 0.001655 -0.000960 -0.003108 2C 2s -0.001729 0.004840 -0.004978 0.004710 -0.001787 -0.007657 2C 3s 0.012563 -0.071170 0.043405 -0.046229 0.079763 0.234972 2C 4s 0.051015 0.170002 0.161542 -0.007025 -0.407579 -1.024724 2C 5s 0.667914 0.490636 0.359236 -0.758585 0.054608 -3.763320 2C 1pz 0.038566 -0.062757 0.048792 -0.065088 0.041512 0.081070 2C 1px -0.122378 0.047745 -0.043813 0.087771 -0.019028 -0.007963 2C 1py -0.031703 -0.008779 0.011386 0.006818 0.018759 0.061940 2C 2pz -0.025812 0.045307 0.124210 -0.058560 -0.219549 -0.512486 2C 2px 0.073029 0.336256 -0.180015 0.342499 -0.083927 -0.216199 2C 2py 0.075635 -0.087273 0.249439 -0.121357 -0.042468 -0.391307 2C 3pz 0.178277 0.034682 0.125032 -0.315591 0.042138 -0.962169 2C 3px 0.018568 0.089379 -0.044004 0.158513 -0.044882 -0.185897 2C 3py 0.083161 0.089819 0.067894 -0.081662 -0.019837 -0.624120 2C 1dz2 0.008367 0.011762 -0.004175 -0.001452 -0.025033 -0.001277 2C 1dxz -0.008372 0.066341 -0.062817 0.062692 -0.008848 -0.024144 2C 1dyz -0.000929 0.006140 0.004549 0.004101 -0.018349 -0.002084 2C 1dx2y2 -0.027435 0.008716 -0.004437 0.019022 -0.010370 -0.006663 2C 1dxy -0.002862 0.021848 -0.010765 0.024374 0.005366 -0.028270 2C 2dz2 0.162550 -0.178346 0.107929 -0.256360 0.163589 0.010853 2C 2dxz 0.061546 -0.174629 0.288018 -0.143557 -0.061150 0.050088 2C 2dyz -0.206732 0.197434 -0.103355 0.238541 -0.130819 -0.317243 2C 2dx2y2 -0.357033 0.360216 -0.239980 0.527495 -0.141833 -0.055362 2C 2dxy -0.055576 0.137870 -0.039475 0.176052 -0.176093 0.045668 2C 1f0 -0.036554 0.038125 -0.018471 0.068218 -0.030451 -0.012721 2C 1f+1 -0.036909 0.039637 -0.026954 0.042409 -0.017740 -0.005721 2C 1f-1 0.054904 -0.034814 0.028936 -0.061453 0.008418 -0.000511 2C 1f+2 0.027637 -0.028938 0.009471 -0.047741 0.025445 0.024462 2C 1f-2 0.005551 0.038089 -0.008672 0.004202 -0.012317 -0.028183 2C 1f+3 -0.040572 0.007508 0.000731 0.026098 0.003752 0.021168 2C 1f-3 -0.060674 0.029831 -0.020255 0.066988 -0.020122 -0.003554 3C 1s -0.001457 -0.001034 0.002320 0.000814 -0.000369 0.003657 3C 2s -0.005375 -0.001204 0.006061 0.001483 -0.001610 0.009846 3C 3s 0.132394 0.019720 -0.113115 -0.069143 -0.003333 -0.174085 3C 4s -0.532436 -0.052198 0.360916 0.296285 0.144731 0.336329 3C 5s 0.662456 -0.167762 -0.438844 0.852566 -0.000399 3.563705 3C 1pz 0.037325 0.024086 -0.066965 -0.026901 0.016502 -0.060655 3C 1px -0.065540 -0.069537 0.106141 0.045343 -0.061351 0.005659 3C 1py -0.050043 -0.047798 0.068090 0.055741 -0.017941 0.072849 3C 2pz 0.049608 0.287929 -0.031576 -0.083581 0.029146 -0.516895 3C 2px 0.113773 -0.167028 0.434138 0.145424 0.029642 0.008552 3C 2py 0.378762 0.135752 -0.050141 -0.264027 -0.057734 -0.397631 3C 3pz 0.073339 -0.023632 -0.147786 0.125105 0.003330 0.578266 3C 3px 0.016309 -0.080047 0.241415 0.134122 -0.023582 0.316728 3C 3py -0.089616 -0.053647 0.177483 -0.131705 -0.053404 -0.889469 3C 1dz2 0.004724 0.035034 -0.015227 -0.030722 0.010541 -0.060082 3C 1dxz 0.043405 0.006461 0.019533 -0.004618 -0.005235 -0.011878 3C 1dyz 0.004550 -0.025236 -0.005899 0.027131 -0.014111 0.083319 3C 1dx2y2 0.037866 0.022762 0.015408 -0.006124 -0.013474 -0.061485 3C 1dxy 0.004016 0.050645 -0.059049 -0.042299 0.015514 -0.057652 3C 2dz2 0.161895 0.105797 -0.033861 -0.051880 -0.005710 0.115417 3C 2dxz 0.013901 0.292420 -0.521541 -0.200844 0.266195 -0.027972 3C 2dyz 0.137300 0.199863 -0.158502 -0.226186 0.095866 -0.521624 3C 2dx2y2 -0.202123 -0.371274 0.369816 0.163753 -0.113443 0.260776 3C 2dxy 0.112245 0.168676 -0.440289 -0.062594 0.074654 0.348317 3C 1f0 -0.002689 -0.001690 -0.005103 -0.008652 0.011975 0.028270 3C 1f+1 -0.045791 -0.050759 0.105826 0.019759 -0.022389 -0.005942 3C 1f-1 -0.017274 -0.051301 0.034370 0.036235 -0.021300 0.051248 3C 1f+2 -0.019473 -0.031296 0.041970 0.009208 -0.034223 -0.009765 3C 1f-2 0.027466 0.051763 -0.085283 -0.020249 0.014838 0.001517 3C 1f+3 0.008608 0.007622 -0.041574 -0.008856 0.011176 0.010768 3C 1f-3 0.059551 0.036436 -0.087464 -0.017886 0.010895 0.003122 4C 1s 0.002139 -0.001771 -0.002153 0.004946 -0.001062 0.010765 4C 2s 0.007317 -0.007895 -0.004371 0.013871 -0.001643 0.036918 4C 3s -0.094617 0.216330 -0.044343 -0.096933 -0.070217 -0.916297 4C 4s 0.092853 -0.663333 0.128886 0.276793 0.447465 3.484686 4C 5s -0.386872 -0.191501 0.152171 0.015315 0.085086 1.501924 4C 1pz 0.004046 0.051998 -0.032430 -0.027976 0.029811 -0.146663 4C 1px -0.032721 0.013272 -0.023202 0.023567 -0.040604 -0.047835 4C 1py -0.008640 0.029226 -0.020013 -0.023597 0.013907 -0.138560 4C 2pz -0.157360 -0.147424 0.106360 0.343837 -0.271165 0.505165 4C 2px 0.623298 -0.201367 0.456545 -0.990945 0.423334 0.400377 4C 2py 0.147268 -0.151586 0.224314 -0.125448 -0.028324 0.586254 4C 3pz 0.497930 0.368757 0.376463 -0.529433 0.032178 -2.848640 4C 3px 0.026386 -0.327669 0.289741 -0.765623 0.130595 -0.376684 4C 3py 0.315254 0.005143 0.392215 -0.700678 0.086911 -1.990753 4C 1dz2 0.002957 0.022768 0.007890 0.006051 -0.013207 -0.001656 4C 1dxz 0.006743 -0.016094 -0.006468 -0.001529 -0.004377 0.012419 4C 1dyz 0.014261 0.029610 -0.008254 0.000637 -0.026967 -0.060232 4C 1dx2y2 -0.000266 -0.022609 0.000939 -0.017969 0.016214 -0.014025 4C 1dxy 0.021075 -0.007813 0.014106 0.010141 -0.020837 -0.032615 4C 2dz2 -0.192919 0.032156 -0.307033 0.208761 0.080683 0.152635 4C 2dxz 0.209095 0.152632 -0.058761 -0.019507 -0.000158 0.119091 4C 2dyz 0.026924 -0.090053 -0.105734 0.005757 0.089758 0.410243 4C 2dx2y2 0.145788 -0.120151 0.302129 -0.167352 -0.033599 0.163909 4C 2dxy 0.177064 -0.058871 0.216131 -0.171805 0.076903 0.231300 4C 1f0 0.007538 0.003124 -0.002932 -0.021291 -0.005802 -0.004102 4C 1f+1 -0.026858 0.046525 -0.043538 0.069441 -0.017825 -0.054264 4C 1f-1 0.008192 -0.006243 0.002475 -0.029750 0.017489 -0.054189 4C 1f+2 -0.013976 0.028775 -0.025614 0.054265 -0.019502 0.053325 4C 1f-2 -0.022179 0.036695 -0.027090 0.039907 -0.005168 -0.049480 4C 1f+3 -0.028151 0.021306 -0.028338 0.048840 -0.012573 -0.027156 4C 1f-3 -0.019447 0.007991 -0.010836 0.015049 -0.006359 -0.056258 5C 1s 0.000562 0.000653 0.003913 -0.003912 0.002077 -0.013507 5C 2s 0.003230 0.004117 0.010131 -0.014797 0.007251 -0.046157 5C 3s -0.207123 -0.105471 0.035597 0.264804 -0.065558 1.003015 5C 4s 1.046844 0.272171 -0.424321 -0.646804 -0.136439 -3.359407 5C 5s -0.099681 0.149303 -0.113303 -0.138224 -0.190127 -1.197111 5C 1pz 0.026602 -0.001682 -0.022275 0.037435 -0.005585 0.170475 5C 1px -0.022160 -0.023378 0.008356 -0.007689 -0.051408 0.063614 5C 1py -0.028880 0.030192 0.041736 -0.077106 0.029261 -0.272746 5C 2pz -0.202979 -0.062206 0.390916 0.048103 -0.113698 -0.790731 5C 2px 0.419677 0.301179 -1.003829 -0.342826 0.580694 -0.495745 5C 2py 0.158123 -0.066316 -0.331480 0.084630 -0.010327 1.194141 5C 3pz 0.267468 0.055842 -0.006236 0.352249 0.011262 1.576282 5C 3px -0.095708 0.386619 -0.932084 -0.176533 0.120782 0.917336 5C 3py -0.252104 -0.058728 0.333311 -0.627551 -0.026934 -2.780547 5C 1dz2 0.001581 -0.017918 -0.021062 0.017824 -0.011549 0.015628 5C 1dxz -0.005278 -0.006280 0.009141 0.003642 -0.004297 0.010708 5C 1dyz 0.022550 0.024738 -0.035683 -0.010194 -0.016452 -0.041367 5C 1dx2y2 0.002588 0.029130 -0.022868 -0.004324 -0.006987 0.041392 5C 1dxy 0.004805 -0.014532 -0.002421 -0.015601 0.000942 -0.005673 5C 2dz2 -0.119854 -0.007271 0.103122 0.061007 -0.053663 0.368289 5C 2dxz 0.122647 -0.039670 0.115328 -0.052509 -0.036572 0.131038 5C 2dyz -0.097023 -0.130864 0.040574 0.140675 0.085239 0.189627 5C 2dx2y2 0.193918 0.043803 -0.119770 -0.040315 0.199725 -0.514005 5C 2dxy -0.099599 0.015348 0.115039 0.164075 -0.225747 0.106574 5C 1f0 -0.001894 0.010712 -0.011560 -0.020995 0.015400 -0.054782 5C 1f+1 0.003190 0.005507 0.042729 0.011670 -0.016030 0.000514 5C 1f-1 -0.032553 -0.061860 0.022830 0.039112 -0.007973 0.060436 5C 1f+2 -0.008015 -0.036383 0.081029 0.018093 -0.021912 -0.044607 5C 1f-2 -0.007810 -0.003370 -0.030472 -0.002844 0.002980 -0.036147 5C 1f+3 -0.025110 -0.035554 0.061136 0.052417 -0.031274 0.101402 5C 1f-3 0.024122 -0.006737 0.043468 -0.004061 -0.008915 -0.067136 6C 1s -0.000770 0.000239 0.003941 -0.003842 -0.000773 -0.013710 6C 2s -0.004181 -0.001891 0.010654 -0.014459 -0.002580 -0.046796 6C 3s 0.229858 0.116976 0.013566 0.256233 -0.044184 1.003404 6C 4s -1.108158 -0.372737 -0.353117 -0.615589 0.511147 -3.313765 6C 5s 0.095430 -0.180840 -0.079050 -0.131758 0.340630 -1.173317 6C 1pz 0.023400 0.002855 0.021207 -0.037978 0.011758 -0.171502 6C 1px -0.023827 -0.025358 -0.002684 0.009300 -0.043315 -0.068137 6C 1py -0.022564 0.022932 -0.045651 0.076780 0.001422 0.275814 6C 2pz -0.199822 -0.148302 -0.362056 -0.040003 -0.187623 0.782731 6C 2px 0.448475 0.518856 0.895592 0.328292 0.537449 0.543172 6C 2py 0.146522 0.004591 0.333038 -0.091274 0.096892 -1.198087 6C 3pz 0.253584 0.057211 -0.013523 -0.351083 0.181506 -1.584214 6C 3px -0.083511 0.588545 0.822976 0.166502 0.221294 -0.902072 6C 3py -0.224839 -0.124815 -0.298111 0.622802 -0.326300 2.780385 6C 1dz2 -0.000998 0.013008 -0.024052 0.017400 0.011650 0.016151 6C 1dxz 0.006776 0.008577 0.007863 0.002883 0.002091 0.010760 6C 1dyz -0.024371 -0.032724 -0.030282 -0.008394 0.023084 -0.038891 6C 1dx2y2 -0.002993 -0.034039 -0.016497 -0.003002 0.003702 0.041765 6C 1dxy -0.005205 0.012984 -0.006062 -0.015728 0.000115 -0.005233 6C 2dz2 0.132591 0.035611 0.097843 0.061104 0.013680 0.371551 6C 2dxz -0.118613 0.061080 0.105040 -0.054195 0.024783 0.138145 6C 2dyz 0.101654 0.141097 0.016213 0.132009 -0.114213 0.175580 6C 2dx2y2 -0.214528 -0.076569 -0.102618 -0.043469 -0.155683 -0.531959 6C 2dxy 0.105295 0.013188 0.110770 0.163572 0.211105 0.127020 6C 1f0 -0.000836 0.012915 0.008391 0.020637 0.010893 0.056581 6C 1f+1 0.002670 -0.004023 -0.042783 -0.011701 -0.014937 -0.002778 6C 1f-1 -0.035834 -0.066869 -0.009288 -0.036738 -0.002266 -0.059270 6C 1f+2 -0.009194 -0.054040 -0.070829 -0.016929 -0.027315 0.041907 6C 1f-2 -0.007224 0.003168 0.030180 0.002628 -0.001527 0.037342 6C 1f+3 -0.030161 -0.050542 -0.051750 -0.051384 -0.020288 -0.104061 6C 1f-3 0.024773 -0.015351 -0.040458 0.004180 -0.017013 0.064807 7C 1s -0.002013 0.001249 -0.002499 0.004950 -0.000134 0.010846 7C 2s -0.006772 0.006702 -0.006071 0.013872 -0.002731 0.037055 7C 3s 0.081447 -0.220877 0.005855 -0.093294 0.185375 -0.906216 7C 4s -0.044956 0.676439 -0.032002 0.263319 -0.874327 3.420221 7C 5s 0.415829 0.225574 0.093209 0.015190 -0.248597 1.490281 7C 1pz 0.007281 0.059318 0.020275 0.025805 0.007633 0.148687 7C 1px -0.033924 0.016313 0.020529 -0.021679 -0.042858 0.043769 7C 1py -0.006297 0.034224 0.014026 0.022904 -0.003316 0.139506 7C 2pz -0.161280 -0.183724 -0.073607 -0.324701 -0.191102 -0.525169 7C 2px 0.621792 -0.281121 -0.415840 0.975491 0.468888 -0.356597 7C 2py 0.139777 -0.203847 -0.194499 0.131825 0.051366 -0.582660 7C 3pz 0.533780 0.280558 -0.449245 0.526137 -0.254754 2.817848 7C 3px 0.018502 -0.380346 -0.213600 0.769784 0.107028 0.382534 7C 3py 0.338151 -0.071053 -0.382772 0.701343 -0.105723 1.987472 7C 1dz2 -0.003439 -0.020540 0.012981 0.006025 0.012967 -0.001179 7C 1dxz -0.007485 0.013586 -0.009371 -0.002195 0.003985 0.012638 7C 1dyz -0.016370 -0.030584 -0.000455 0.000932 0.034339 -0.057129 7C 1dx2y2 0.000512 0.020991 -0.004543 -0.017980 -0.015177 -0.015132 7C 1dxy -0.021836 0.011114 0.012280 0.009634 0.024385 -0.029462 7C 2dz2 0.197022 -0.103536 -0.298742 0.211144 -0.073099 0.141892 7C 2dxz -0.206352 -0.163608 -0.019951 -0.008489 -0.006626 0.120561 7C 2dyz -0.020507 0.056715 -0.128293 0.011278 -0.125827 0.405189 7C 2dx2y2 -0.141819 0.190784 0.275862 -0.175911 -0.012488 0.163658 7C 2dxy -0.176612 0.107297 0.201572 -0.174200 -0.122677 0.225040 7C 1f0 0.007804 0.002024 0.000482 0.022179 -0.006944 0.002389 7C 1f+1 -0.026814 0.053835 0.032372 -0.070228 -0.026677 0.052147 7C 1f-1 0.009062 -0.005807 -0.001213 0.029284 0.009634 0.054907 7C 1f+2 -0.014510 0.031682 0.017559 -0.053946 -0.014905 -0.055014 7C 1f-2 -0.021689 0.041113 0.018852 -0.040676 -0.011441 0.048672 7C 1f+3 -0.028081 0.026901 0.024003 -0.049126 -0.016187 0.026257 7C 1f-3 -0.018126 0.011073 0.009957 -0.015556 -0.014166 0.055728 8C 1s 0.001634 0.001561 0.002069 0.000743 -0.000058 0.003665 8C 2s 0.005856 0.002555 0.005655 0.001338 0.000524 0.009926 8C 3s -0.142109 -0.047260 -0.107124 -0.064615 0.028846 -0.170481 8C 4s 0.555421 0.140347 0.346322 0.274986 -0.217168 0.305953 8C 5s -0.630623 0.089444 -0.442086 0.847231 -0.401371 3.573756 8C 1pz 0.040162 0.039066 0.059529 0.025578 0.009062 0.061934 8C 1px -0.067859 -0.091201 -0.085548 -0.043700 -0.063414 -0.011382 8C 1py -0.055808 -0.064721 -0.056933 -0.053141 -0.006763 -0.073167 8C 2pz 0.067963 0.294011 -0.031307 0.078550 -0.007918 0.512608 8C 2px 0.102833 -0.261831 -0.391502 -0.135310 0.037554 -0.014648 8C 2py 0.394303 0.153324 0.020592 0.250289 -0.118830 0.374090 8C 3pz 0.067604 0.005409 0.145109 -0.123185 0.068951 -0.576092 8C 3px 0.008053 -0.130468 -0.217180 -0.128585 0.011918 -0.318319 8C 3py -0.084524 -0.089517 -0.157706 0.132848 -0.152349 0.885877 8C 1dz2 -0.008059 -0.038865 -0.008205 -0.029495 -0.004233 -0.060309 8C 1dxz -0.043210 -0.002069 0.021354 -0.004345 0.006328 -0.009444 8C 1dyz -0.001870 0.024263 -0.011200 0.026714 0.006785 0.084284 8C 1dx2y2 -0.039755 -0.019502 0.019492 -0.004524 0.020665 -0.057334 8C 1dxy -0.008292 -0.064677 -0.047161 -0.040834 -0.009615 -0.059827 8C 2dz2 -0.162158 -0.121418 -0.017901 -0.052060 -0.011021 0.117988 8C 2dxz -0.025241 -0.399741 -0.441052 -0.190832 -0.269008 -0.058971 8C 2dyz -0.160215 -0.242913 -0.116654 -0.219933 -0.042508 -0.525091 8C 2dx2y2 0.219882 0.452908 0.284375 0.151995 0.094660 0.260251 8C 2dxy -0.104979 -0.248755 -0.382393 -0.048315 -0.103541 0.347116 8C 1f0 -0.002859 -0.002080 0.003478 0.007748 0.012965 -0.027355 8C 1f+1 -0.047199 -0.072498 -0.090567 -0.017752 -0.024101 0.004812 8C 1f-1 -0.020511 -0.058505 -0.022313 -0.033982 -0.015040 -0.052093 8C 1f+2 -0.019984 -0.039385 -0.032831 -0.008902 -0.037834 0.005926 8C 1f-2 0.029018 0.069830 0.071161 0.018150 0.013940 0.000412 8C 1f+3 0.008482 0.014932 0.036345 0.007885 0.011035 -0.009995 8C 1f-3 0.060997 0.055271 0.076640 0.016465 0.012696 -0.003523 9C 1s 0.000013 -0.002617 -0.001122 0.001757 0.001445 -0.002984 9C 2s 0.001729 -0.005914 -0.003932 0.005011 0.003083 -0.007358 9C 3s -0.008464 0.077472 0.025626 -0.047266 -0.111966 0.226096 9C 4s -0.071148 -0.114703 0.209070 -0.015685 0.517253 -0.983691 9C 5s -0.725039 -0.413889 0.463611 -0.758013 0.325932 -3.745573 9C 1pz 0.036105 -0.070813 -0.033911 0.065185 0.054158 -0.077615 9C 1px -0.122648 0.056415 0.035182 -0.088336 -0.022507 0.007312 9C 1py -0.032803 -0.011607 -0.008626 -0.006135 0.027202 -0.060067 9C 2pz -0.015819 0.000938 -0.144419 0.070658 -0.269204 0.486641 9C 2px 0.075493 0.360036 0.098085 -0.351173 -0.116809 0.205688 9C 2py 0.079931 -0.133666 -0.218207 0.120986 -0.066519 0.395879 9C 3pz 0.189860 0.010966 -0.132410 0.315430 -0.055843 0.959096 9C 3px 0.022992 0.096183 0.026228 -0.159491 -0.064634 0.175026 9C 3py 0.094752 0.071921 -0.087726 0.084016 -0.084223 0.618496 9C 1dz2 -0.009386 -0.010308 0.000459 -0.002507 0.025779 0.002264 9C 1dxz 0.006947 -0.077625 -0.046097 0.064138 0.016601 -0.023244 9C 1dyz 0.000419 -0.006151 0.005352 0.004203 0.018257 -0.001017 9C 1dx2y2 0.027386 -0.007952 -0.002062 0.018217 0.010883 -0.004660 9C 1dxy 0.003729 -0.024770 -0.007091 0.026475 -0.001247 -0.029552 9C 2dz2 -0.156383 0.187664 0.065832 -0.252698 -0.164676 -0.008649 9C 2dxz -0.068524 0.244215 0.244370 -0.163844 0.018900 0.059491 9C 2dyz 0.197677 -0.203971 -0.056807 0.233974 0.169159 -0.303886 9C 2dx2y2 0.357848 -0.397545 -0.164834 0.528560 0.150124 -0.052119 9C 2dxy 0.071327 -0.144993 -0.006015 0.190039 0.172923 0.059475 9C 1f0 -0.034690 0.038314 0.009212 -0.066284 -0.031490 0.009494 9C 1f+1 -0.040289 0.046025 0.018805 -0.046287 -0.020269 0.005169 9C 1f-1 0.054815 -0.039393 -0.021948 0.061030 0.008681 0.000536 9C 1f+2 0.025581 -0.030113 -0.003047 0.046433 0.027915 -0.023150 9C 1f-2 0.008451 0.037610 -0.000566 -0.002935 -0.015950 0.027027 9C 1f+3 -0.038349 0.005281 -0.001767 -0.023375 0.007055 -0.020336 9C 1f-3 -0.063114 0.033024 0.014543 -0.068296 -0.020208 0.001163 10H 1s -0.172945 0.110896 -0.031620 0.183088 -0.099402 -0.046802 10H 2s 0.487151 -0.701227 0.497892 -0.890552 0.272982 0.364305 10H 3s -0.199645 0.076742 -0.060461 0.153304 -0.071649 0.021300 10H 1pz 0.230672 -0.250190 0.131224 -0.367491 0.181100 0.100672 10H 1px -0.017436 0.083096 -0.120245 0.073902 0.045381 -0.069267 10H 1py 0.042505 -0.101400 0.035101 -0.157842 0.076405 -0.054015 11H 1s 0.075322 0.021021 -0.016295 -0.034698 0.004194 -0.010651 11H 2s -0.249024 0.248713 -0.278401 0.377763 -0.084631 -0.005958 11H 3s 0.060384 -0.091858 0.014907 -0.065354 0.028067 0.188010 11H 1pz 0.100721 -0.038900 0.002964 -0.060469 0.059234 0.081534 11H 1px -0.322950 0.276315 -0.176157 0.382240 -0.167948 -0.105492 11H 1py -0.167638 0.088422 -0.019122 0.163591 -0.085538 -0.000226 12H 1s 0.158830 -0.069676 0.044816 -0.144273 0.056375 -0.009867 12H 2s -0.357857 0.127535 -0.063998 0.370094 0.030971 -0.028343 12H 3s 0.087062 -0.085781 0.032684 -0.067891 0.002578 0.157019 12H 1pz -0.112342 0.077019 -0.032980 0.116541 -0.110903 -0.096510 12H 1px -0.302745 0.226586 -0.114549 0.351857 -0.136352 -0.046976 12H 1py 0.013998 -0.028487 0.030715 -0.014224 0.061916 -0.029184 13H 1s -0.156802 -0.152928 0.267168 0.058274 -0.046335 -0.052244 13H 2s 0.321678 0.722406 -1.064569 -0.442275 0.273414 -0.527299 13H 3s -0.201303 -0.123060 0.198938 0.033453 -0.037490 -0.020316 13H 1pz 0.074927 0.148325 -0.182036 -0.093226 0.034815 -0.033871 13H 1px 0.025719 -0.038314 0.069878 0.067133 -0.031515 0.272743 13H 1py -0.149040 -0.283481 0.475388 0.142766 -0.127784 -0.051120 14H 1s 0.144538 0.124923 -0.189354 -0.073062 0.063760 -0.012005 14H 2s 0.015347 -0.179429 0.667355 0.123642 -0.255277 -0.391745 14H 3s -0.007587 0.102590 -0.097814 -0.111498 0.066483 -0.083973 14H 1pz 0.160578 0.148289 -0.100748 -0.085925 0.067723 -0.002648 14H 1px -0.054496 -0.181000 0.358905 0.107979 -0.146418 -0.147003 14H 1py 0.108440 0.169281 -0.269181 -0.080483 0.092605 -0.048443 15H 1s 0.030043 -0.021247 -0.045345 0.037126 0.005144 0.105805 15H 2s -0.302025 -0.293572 0.137472 0.169629 -0.060645 0.576846 15H 3s -0.042245 0.125665 -0.024888 -0.118702 0.056668 -0.220008 15H 1pz 0.037498 0.087028 -0.065022 -0.058466 0.021049 -0.237442 15H 1px -0.227052 -0.355902 0.500053 0.199099 -0.206001 0.019253 15H 1py 0.032139 0.006402 0.110498 -0.000036 -0.044474 -0.122140 16H 1s 0.054272 -0.078858 0.020178 -0.036300 -0.227728 0.084680 16H 2s -0.182021 0.159663 0.003181 0.083847 0.786471 -0.141147 16H 3s -0.099669 -0.129607 0.072218 -0.172148 -0.085311 0.166094 16H 1pz -0.140573 0.005664 0.075028 0.004098 0.329053 -0.004765 16H 1px -0.192208 -0.074311 0.107349 -0.144147 0.264181 0.113813 16H 1py 0.230019 0.043808 -0.099517 0.157308 -0.278588 -0.084135 17H 1s 0.012279 0.099417 0.004772 0.098834 -0.204216 -0.117593 17H 2s -0.102510 -0.239865 0.071340 -0.461883 0.789924 0.366501 17H 3s -0.145006 0.111156 0.066648 0.106365 -0.062131 -0.119147 17H 1pz 0.269006 0.049777 -0.122009 0.290313 -0.477779 -0.114358 17H 1px -0.063690 0.044864 0.003752 0.059514 -0.033869 -0.071520 17H 1py 0.187496 0.011992 -0.050846 0.012299 -0.186347 0.026387 18H 1s -0.009762 -0.089659 0.023836 0.097641 0.211906 -0.092679 18H 2s 0.092531 0.231904 0.022735 -0.466765 -0.820227 0.276452 18H 3s 0.147016 -0.089198 0.083296 0.103084 0.077304 -0.111451 18H 1pz 0.259484 0.065779 0.103539 -0.299466 -0.476882 0.060402 18H 1px -0.068047 0.042205 -0.012519 -0.058291 -0.042962 0.068014 18H 1py 0.190805 0.019187 0.045828 -0.017157 -0.182085 -0.048820 19H 1s -0.053003 0.083212 0.001089 -0.038804 0.209959 0.108446 19H 2s 0.176307 -0.163475 0.033606 0.086105 -0.732748 -0.226054 19H 3s 0.100656 0.140820 0.038820 -0.177733 0.058944 0.170713 19H 1pz -0.143079 -0.008543 -0.069420 0.003635 0.318036 0.040557 19H 1px -0.189624 -0.089073 -0.084090 0.150828 0.267085 -0.081815 19H 1py 0.223984 0.057189 0.086573 -0.158747 -0.274763 0.050221 20H 1s -0.024579 0.013237 -0.047145 0.035543 -0.020514 0.103783 20H 2s 0.319529 0.325156 0.069487 0.162886 0.017655 0.570661 20H 3s 0.038552 -0.133131 0.001166 -0.116150 -0.034051 -0.225218 20H 1pz 0.044104 0.098146 0.041241 0.054174 -0.003795 0.236573 20H 1px -0.239078 -0.460309 -0.404246 -0.186807 -0.207114 -0.038261 20H 1py 0.031778 -0.016971 -0.108148 0.000905 -0.052962 0.114668 21H 1s -0.150043 -0.163431 -0.152738 -0.067765 -0.063207 -0.014189 21H 2s -0.012670 0.312965 0.599171 0.115728 0.300581 -0.355847 21H 3s 0.004329 -0.125577 -0.072341 -0.109803 -0.056562 -0.092843 21H 1pz 0.165303 0.172189 0.066140 0.081989 0.068906 0.006929 21H 1px -0.059329 -0.257228 -0.308269 -0.102978 -0.166089 0.128996 21H 1py 0.113458 0.221593 0.220429 0.072229 0.087404 0.055075 22H 1s 0.158712 0.208035 0.223279 0.052210 0.052716 -0.050519 22H 2s -0.361228 -0.952610 -0.878690 -0.416059 -0.224716 -0.549899 22H 3s 0.205822 0.164216 0.163952 0.028137 0.043617 -0.020993 22H 1pz 0.081773 0.189132 0.146686 0.088320 0.033761 0.034896 22H 1px 0.015862 -0.054108 -0.058469 -0.066095 -0.003455 -0.276961 22H 1py -0.157673 -0.382244 -0.398272 -0.130763 -0.132530 0.040328 23H 1s -0.156235 0.071948 0.029246 -0.140388 -0.054812 -0.015342 23H 2s 0.356783 -0.136370 -0.051061 0.368428 -0.035366 -0.038828 23H 3s -0.083587 0.090758 0.014748 -0.066732 -0.017817 0.161712 23H 1pz -0.105462 0.074992 0.015855 -0.110400 -0.117844 0.082471 23H 1px -0.308138 0.244919 0.070377 -0.355663 -0.142212 0.041442 23H 1py 0.013667 -0.030814 -0.019858 0.011060 0.060583 0.034591 24H 1s -0.082141 -0.021535 -0.007321 -0.037157 0.000671 -0.009693 24H 2s 0.261631 -0.297013 -0.215737 0.388510 0.102721 0.005663 24H 3s -0.059810 0.092300 -0.004643 -0.066238 -0.047104 0.186341 24H 1pz 0.095815 -0.038367 0.001624 0.058941 0.067031 -0.076760 24H 1px -0.318616 0.299559 0.115462 -0.380725 -0.182891 0.090111 24H 1py -0.173301 0.092303 0.005351 -0.166454 -0.082371 -0.001874 25H 1s 0.173319 -0.111822 -0.008877 0.181389 0.100465 -0.039344 25H 2s -0.482182 0.785839 0.340116 -0.902113 -0.338498 0.345715 25H 3s 0.202518 -0.084651 -0.042737 0.152752 0.072917 0.023891 25H 1pz 0.225763 -0.265372 -0.077121 0.366566 0.191498 -0.085225 25H 1px -0.015878 0.109272 0.099332 -0.078668 0.024776 0.072977 25H 1py 0.050913 -0.105133 -0.011996 0.161447 0.068861 0.057166 26O 1s 0.002311 -0.004360 0.003712 -0.005548 -0.000640 -0.001469 26O 2s 0.003628 -0.011063 0.008698 -0.012656 -0.003861 -0.008880 26O 3s 0.054417 0.003553 0.014855 -0.017338 0.051087 0.141307 26O 4s -0.513493 0.362635 -0.344408 0.426233 -0.164393 -0.535851 26O 5s 0.113944 -0.276291 -0.608162 0.587925 -0.255227 -0.320946 26O 1pz -0.024789 -0.038624 0.060422 -0.023320 0.009385 -0.037386 26O 1px 0.026034 -0.009985 0.002080 -0.027563 0.010329 0.021112 26O 1py 0.005081 -0.036266 0.036801 -0.058804 0.036745 0.019456 26O 2pz 0.062481 0.010118 -0.036822 -0.000198 0.008629 0.037482 26O 2px 0.161029 -0.118965 0.193823 -0.155078 0.037833 0.256038 26O 2py 0.111667 -0.027106 0.057536 -0.014852 -0.035263 0.078425 26O 3pz 0.124020 -0.529942 0.174375 -0.357046 0.106880 0.090922 26O 3px 0.293608 -0.092084 0.271278 -0.498083 0.356776 0.520482 26O 3py 0.166597 -0.322470 0.078849 -0.482412 0.280080 0.302902 26O 1dz2 0.002294 -0.003087 0.002255 -0.008983 0.001288 0.000218 26O 1dxz 0.003211 -0.002305 0.003116 -0.007142 0.001502 0.007759 26O 1dyz 0.003513 -0.005801 0.005545 -0.014472 0.007232 0.003693 26O 1dx2y2 0.000351 0.000741 -0.001965 0.007754 -0.005072 -0.004731 26O 1dxy 0.003142 -0.003239 0.002344 -0.004204 0.001439 0.001741 26O 2dz2 0.118082 -0.113416 0.060616 -0.155852 0.026299 0.049181 26O 2dxz 0.062670 0.021817 -0.088878 0.090599 -0.005218 0.115453 26O 2dyz 0.121477 -0.131787 -0.021165 -0.090523 0.076076 0.003859 26O 2dx2y2 -0.034803 0.031876 0.005057 0.094623 -0.085179 -0.136537 26O 2dxy 0.000098 -0.019084 -0.051125 0.100505 -0.014905 -0.092422 26O 1f0 -0.002211 0.001224 -0.000899 0.001927 0.001294 -0.005657 26O 1f+1 -0.004550 0.003954 -0.003136 0.004972 -0.003849 -0.015757 26O 1f-1 0.001334 -0.000543 -0.004346 0.004077 0.001258 -0.008577 26O 1f+2 -0.002361 -0.001394 0.001581 -0.005792 0.001703 0.003974 26O 1f-2 0.003045 0.000486 -0.000998 0.002411 -0.002178 0.004921 26O 1f+3 -0.000122 0.002874 -0.000644 0.003355 -0.003207 -0.006899 26O 1f-3 -0.006721 0.006243 -0.008000 0.006938 -0.003643 -0.017897 27O 1s 0.002399 0.002501 -0.003611 -0.001784 0.001738 -0.000737 27O 2s 0.005442 0.004801 -0.005999 -0.002218 0.002942 0.001963 27O 3s 0.012906 0.028553 -0.059830 -0.050385 0.043002 -0.115626 27O 4s -0.213478 -0.357044 0.441895 0.348970 -0.439957 0.646366 27O 5s -0.505858 0.279825 0.657783 -0.126473 0.221624 0.618978 27O 1pz -0.035846 0.018852 -0.055071 -0.002598 0.037950 -0.026162 27O 1px 0.017910 0.040599 -0.065468 -0.030496 0.004284 -0.014126 27O 1py 0.020291 -0.023704 0.018948 0.025324 -0.012137 0.012146 27O 2pz 0.033347 -0.014854 0.061216 0.018799 -0.030561 0.065568 27O 2px 0.130277 0.062519 -0.107224 -0.099622 0.174386 -0.415391 27O 2py -0.075864 -0.015281 0.013104 -0.024313 -0.029257 0.076082 27O 3pz -0.169470 0.249669 -0.310596 0.004389 0.140153 0.101792 27O 3px 0.432898 0.201935 -0.836167 -0.185684 0.287407 -0.356584 27O 3py -0.063026 -0.432076 0.509296 0.209677 -0.174462 0.033345 27O 1dz2 -0.000532 -0.002135 0.000298 0.000840 -0.001958 0.002063 27O 1dxz 0.003568 0.002971 -0.010027 -0.004363 0.000882 -0.002901 27O 1dyz -0.002625 -0.007354 0.013504 0.004293 -0.000538 -0.004663 27O 1dx2y2 -0.001725 -0.001408 0.010276 0.003651 -0.000877 -0.000823 27O 1dxy -0.002845 -0.005080 0.011857 0.006103 -0.003069 0.002441 27O 2dz2 0.029679 -0.038602 -0.110366 0.000977 -0.030761 -0.044139 27O 2dxz 0.094268 0.036938 0.039536 -0.037886 -0.010448 -0.048953 27O 2dyz -0.030281 -0.167731 0.133222 0.017965 -0.049319 -0.104204 27O 2dx2y2 -0.087813 -0.103911 0.207108 0.094445 -0.070525 0.071368 27O 2dxy 0.033779 -0.056667 -0.065503 0.021652 -0.074113 -0.066674 27O 1f0 -0.001032 0.000036 -0.000802 -0.001933 -0.000466 -0.005972 27O 1f+1 -0.005967 -0.005602 0.004686 0.007634 -0.006378 0.018819 27O 1f-1 -0.000035 -0.000871 0.000557 -0.000516 -0.001575 -0.006774 27O 1f+2 -0.003745 -0.001061 -0.000217 -0.003072 -0.002917 -0.000575 27O 1f-2 0.000140 0.001406 -0.004115 -0.003326 -0.001389 -0.000631 27O 1f+3 -0.002958 -0.002146 0.009501 0.007050 -0.004759 0.013899 27O 1f-3 0.000253 0.002102 -0.006740 -0.005139 0.004260 -0.015158 28O 1s -0.004827 -0.000980 0.000359 0.001996 0.000579 -0.004147 28O 2s -0.013244 -0.003227 0.002124 0.003425 0.002406 -0.014259 28O 3s 0.032639 0.018505 -0.024521 0.029381 -0.029294 0.115754 28O 4s 0.230422 -0.063395 0.097276 -0.205239 0.134693 -0.234926 28O 5s -0.105994 0.441629 -0.411788 -0.293262 -0.026208 -0.090772 28O 1pz -0.009126 0.041003 -0.005469 0.044428 -0.010636 -0.005458 28O 1px 0.023579 0.003884 0.028662 -0.005931 -0.026111 -0.011884 28O 1py -0.009764 0.029068 0.030535 0.017730 -0.029979 -0.055418 28O 2pz -0.020362 -0.104993 0.078936 -0.038376 -0.036553 0.138165 28O 2px 0.073965 0.039799 -0.032195 -0.077050 0.051117 -0.126668 28O 2py 0.009665 -0.052052 0.002193 -0.046650 0.023906 0.077443 28O 3pz -0.460099 0.425612 -0.400970 0.671411 -0.256674 -0.044416 28O 3px 0.176151 0.199793 0.090275 -0.394976 0.098910 -0.226722 28O 3py -0.236076 0.394454 -0.127550 0.366085 -0.070420 -0.098619 28O 1dz2 -0.004496 -0.000450 -0.004094 0.008733 0.001577 -0.000487 28O 1dxz -0.001351 0.001605 -0.000695 0.001424 0.000894 -0.001095 28O 1dyz -0.005272 0.004374 -0.005724 0.010472 -0.000913 -0.007763 28O 1dx2y2 0.001571 -0.001114 0.003630 -0.006095 0.001413 0.000855 28O 1dxy -0.000573 0.002240 -0.000355 -0.001232 0.001262 -0.002701 28O 2dz2 -0.104945 0.018500 -0.110288 0.001919 0.036004 0.016830 28O 2dxz -0.102830 0.031842 -0.050606 0.118872 0.001788 0.019869 28O 2dyz -0.126396 0.150764 -0.133761 0.074914 -0.033059 -0.075396 28O 2dx2y2 0.077583 -0.012102 0.094102 -0.096683 -0.000266 -0.111350 28O 2dxy -0.062659 0.093779 -0.006662 0.063158 -0.001497 -0.112051 28O 1f0 0.004147 0.000880 0.002469 -0.004519 0.000578 -0.005260 28O 1f+1 0.001372 -0.001373 0.000622 -0.009345 0.003024 -0.010038 28O 1f-1 -0.000248 -0.001482 0.004560 -0.006107 -0.004224 0.007139 28O 1f+2 -0.002662 -0.001029 -0.002458 0.010453 -0.003145 0.011566 28O 1f-2 0.001664 -0.002535 0.003742 -0.005083 0.000434 -0.001609 28O 1f+3 -0.002794 -0.004528 0.001749 -0.000563 -0.001026 0.004037 28O 1f-3 -0.000889 0.000477 0.001011 0.001017 0.000404 0.000110 29O 1s 0.008755 0.001125 0.000783 0.003377 -0.009285 0.000016 29O 2s 0.028453 0.003762 0.001910 0.011844 -0.033918 -0.000421 29O 3s -0.166848 -0.025520 0.000651 -0.091153 0.297937 0.017908 29O 4s 0.171281 0.033964 -0.022018 0.130024 -0.641426 -0.050913 29O 5s 0.318429 0.065135 -0.110800 0.293037 -0.237269 -0.104375 29O 1pz -0.024326 -0.117167 0.042834 -0.070343 -0.038627 0.146573 29O 1px 0.123758 -0.030204 -0.057095 0.031487 0.047041 0.080847 29O 1py -0.088113 -0.004722 0.059059 -0.057333 0.047952 0.003002 29O 2pz 0.011042 0.219057 -0.063697 0.257823 0.111765 -0.312357 29O 2px -0.144278 0.076309 0.057678 0.079966 -0.215021 -0.193252 29O 2py 0.078805 -0.014757 -0.041240 -0.007447 0.143932 0.046495 29O 3pz -0.121914 -0.077756 0.070526 -0.040147 0.108027 0.123586 29O 3px 0.278855 0.000714 -0.160016 0.107291 -0.243498 0.016576 29O 3py -0.325682 -0.045645 0.073059 -0.221342 0.543361 0.074099 29O 1dz2 0.000088 0.000127 -0.000262 0.001803 0.000553 -0.001235 29O 1dxz 0.001095 -0.000187 -0.000572 -0.002069 0.000502 0.002533 29O 1dyz 0.000916 0.000810 -0.000932 0.005332 -0.000162 -0.004741 29O 1dx2y2 -0.003554 -0.000023 0.003184 -0.001768 0.001281 -0.001339 29O 1dxy -0.001371 -0.000078 0.000066 0.001809 -0.001259 -0.002960 29O 2dz2 -0.274089 -0.021211 0.100222 -0.178050 0.414628 0.051024 29O 2dxz -0.133571 -0.064365 0.057690 -0.107328 0.268574 0.090394 29O 2dyz 0.142175 0.024356 -0.070506 0.052076 -0.172667 -0.057472 29O 2dx2y2 -0.184316 -0.033074 0.076290 -0.056482 0.126195 0.001710 29O 2dxy -0.205363 -0.031979 0.115681 -0.153098 0.261575 0.051580 29O 1f0 -0.006592 -0.000241 0.002485 -0.004523 0.025363 0.002131 29O 1f+1 0.003938 0.000401 -0.001476 0.004926 -0.011051 -0.001921 29O 1f-1 -0.005376 0.004667 0.000103 0.001926 0.028378 -0.003513 29O 1f+2 0.002283 -0.000733 -0.001220 -0.002031 -0.003862 0.003599 29O 1f-2 -0.002829 -0.010941 0.002882 -0.018027 0.023130 0.013723 29O 1f+3 -0.001862 0.001611 -0.000401 0.002271 0.006074 -0.000477 29O 1f-3 -0.003515 0.004981 0.001776 0.005069 -0.001485 -0.003806 30O 1s -0.001264 -0.002264 0.003668 0.002896 0.000770 0.001239 30O 2s -0.002759 -0.006878 0.008733 0.008574 0.003674 0.005700 30O 3s -0.003771 0.024778 -0.001080 -0.039193 -0.045644 -0.089248 30O 4s 0.131669 0.112428 -0.195308 -0.012171 0.193199 0.326072 30O 5s -0.283336 -0.398514 -0.161332 -0.085640 0.240504 0.689209 30O 1pz 0.030155 -0.030917 0.070703 0.012361 -0.017586 -0.027582 30O 1px 0.022609 -0.026954 0.011739 0.002523 0.005592 -0.044842 30O 1py 0.002295 0.021730 -0.018657 -0.029582 0.022618 -0.023309 30O 2pz -0.039837 0.027198 -0.039711 -0.042232 -0.015826 -0.175314 30O 2px 0.003821 0.035220 -0.075971 0.001329 0.049071 0.246068 30O 2py 0.018357 -0.027323 0.003713 0.088574 -0.028998 0.278624 30O 3pz 0.019805 -0.313473 0.534599 0.338513 -0.390091 0.083517 30O 3px 0.061265 -0.302636 -0.134116 -0.046089 0.251118 0.237661 30O 3py -0.067204 0.508528 -0.620361 -0.551295 0.463759 -0.140321 30O 1dz2 -0.002359 -0.000262 0.002584 0.000350 0.001651 -0.002367 30O 1dxz -0.000302 -0.001311 0.002999 0.005378 -0.002027 0.004950 30O 1dyz 0.002623 0.002569 -0.011162 -0.004571 0.003429 -0.004248 30O 1dx2y2 -0.000285 -0.000712 -0.008551 -0.003048 0.004238 -0.001927 30O 1dxy -0.000903 0.002537 -0.003976 -0.005432 0.002668 -0.007374 30O 2dz2 -0.059442 0.054355 -0.044882 -0.039684 0.063328 -0.031777 30O 2dxz -0.022171 -0.069491 0.119586 0.095300 -0.098586 0.044053 30O 2dyz 0.078899 0.114424 -0.034572 -0.010702 0.062509 -0.181473 30O 2dx2y2 0.007673 -0.020889 -0.026533 0.020608 0.107391 -0.032641 30O 2dxy 0.001725 0.103214 -0.138124 -0.120772 0.089597 -0.064590 30O 1f0 0.001245 -0.001073 -0.000037 0.006718 0.000060 0.018902 30O 1f+1 -0.000961 0.000035 0.000316 -0.001037 -0.000648 0.000521 30O 1f-1 0.001554 0.003123 -0.002573 -0.001582 0.001070 0.002744 30O 1f+2 0.003664 0.003274 0.003645 0.002564 -0.003650 0.000048 30O 1f-2 -0.002909 -0.002571 0.010503 0.000573 -0.001350 -0.016425 30O 1f+3 -0.001650 0.000613 -0.008855 -0.000924 -0.000370 0.003952 30O 1f-3 -0.001573 -0.001016 0.003744 -0.001507 -0.003265 -0.007471 31O 1s 0.001391 0.003065 0.002979 0.002837 -0.000987 0.001104 31O 2s 0.003143 0.008793 0.006767 0.008410 -0.004637 0.005131 31O 3s 0.001455 -0.025519 0.004259 -0.038748 0.058288 -0.083274 31O 4s -0.129815 -0.152159 -0.158103 -0.009227 -0.232564 0.304277 31O 5s 0.300743 0.364195 -0.244292 -0.092324 -0.316844 0.664948 31O 1pz 0.030770 -0.043973 -0.061998 -0.010680 -0.020662 0.023781 31O 1px 0.025022 -0.028394 -0.006436 -0.001248 0.001557 0.044855 31O 1py 0.002587 0.026451 0.014247 0.029586 0.023175 0.026047 31O 2pz -0.035116 0.036092 0.034780 0.040847 -0.033883 0.176481 31O 2px -0.001354 0.049841 0.064497 -0.002283 0.076049 -0.240229 31O 2py 0.011173 -0.031793 -0.000886 -0.089084 -0.004837 -0.282797 31O 3pz -0.007920 -0.434138 -0.451522 -0.328029 -0.374107 -0.125663 31O 3px 0.064535 -0.266188 0.189434 0.051788 0.277378 -0.213317 31O 3py -0.035157 0.649961 0.494798 0.538996 0.448156 0.195269 31O 1dz2 0.002391 0.000764 0.002397 0.000281 -0.001405 -0.002608 31O 1dxz 0.000621 0.002014 0.002616 0.005311 0.001660 0.005152 31O 1dyz -0.003009 -0.005057 -0.010158 -0.004436 -0.003064 -0.004642 31O 1dx2y2 -0.000009 -0.001304 -0.008384 -0.003090 -0.004299 -0.002418 31O 1dxy 0.000566 -0.003445 -0.003335 -0.005338 -0.001964 -0.007716 31O 2dz2 0.059582 -0.062563 -0.032782 -0.038010 -0.059407 -0.039899 31O 2dxz 0.029947 0.095371 0.099920 0.092811 0.094492 0.053497 31O 2dyz -0.086936 -0.122492 -0.007680 -0.007982 -0.039903 -0.187884 31O 2dx2y2 -0.012849 0.013664 -0.027837 0.018532 -0.104586 -0.045427 31O 2dxy -0.009778 -0.134177 -0.111740 -0.118166 -0.082546 -0.074765 31O 1f0 0.000663 -0.001374 0.000076 -0.006721 0.002075 -0.018914 31O 1f+1 -0.001016 -0.000116 -0.000289 0.001006 -0.000404 -0.000590 31O 1f-1 0.001512 0.003590 0.001821 0.001422 0.001423 -0.002730 31O 1f+2 0.003612 0.002330 -0.004230 -0.002755 -0.003782 -0.000570 31O 1f-2 -0.002911 -0.004926 -0.009617 -0.000451 -0.003223 0.016282 31O 1f+3 -0.001467 0.002620 0.008530 0.000833 0.000029 -0.003812 31O 1f-3 -0.001454 -0.001771 -0.003279 0.001495 -0.004315 0.007156 32O 1s -0.008596 -0.000447 0.000839 0.003119 0.008826 0.001292 32O 2s -0.027895 -0.001669 0.002172 0.011060 0.032409 0.004140 32O 3s 0.162440 0.015126 -0.002967 -0.088050 -0.288448 -0.019551 32O 4s -0.163605 -0.025963 -0.014434 0.128976 0.628152 0.024514 32O 5s -0.309855 -0.074702 -0.085129 0.306407 0.232436 -0.076935 32O 1pz -0.021041 -0.120146 -0.011203 0.070034 -0.023711 -0.146499 32O 1px 0.122157 -0.016184 0.058827 -0.036938 0.053019 -0.074890 32O 1py -0.085347 -0.019925 -0.052778 0.063169 0.046772 -0.000937 32O 2pz 0.008214 0.223050 0.014419 -0.262109 0.058976 0.318964 32O 2px -0.143810 0.057818 -0.067778 -0.076340 -0.233474 0.168188 32O 2py 0.077515 0.002054 0.040478 -0.001237 0.145878 -0.023246 32O 3pz -0.113786 -0.086519 -0.045082 0.037768 0.102909 -0.104228 32O 3px 0.278887 0.034991 0.149833 -0.116071 -0.244795 -0.045036 32O 3py -0.317541 -0.050225 -0.056882 0.228535 0.533801 -0.013253 32O 1dz2 -0.000071 -0.000165 -0.000384 0.001501 -0.000223 -0.001219 32O 1dxz -0.001098 0.000056 -0.000584 -0.002257 -0.000892 0.002553 32O 1dyz -0.000898 -0.000957 -0.000786 0.005443 0.001006 -0.004686 32O 1dx2y2 0.003499 0.000674 0.003049 -0.001973 -0.001274 -0.001490 32O 1dxy 0.001366 0.000090 0.000028 0.001742 0.001649 -0.002796 32O 2dz2 0.277459 0.035822 0.094105 -0.185098 -0.417247 0.003348 32O 2dxz 0.125407 0.066948 0.036625 -0.104619 -0.257866 0.057661 32O 2dyz -0.125332 -0.032214 -0.054550 0.044620 0.148697 -0.034798 32O 2dx2y2 0.180686 0.044609 0.063546 -0.055460 -0.120841 -0.016287 32O 2dxy 0.208617 0.053538 0.103600 -0.162258 -0.268624 0.021990 32O 1f0 -0.005976 -0.000661 -0.002176 0.004649 0.023235 0.000307 32O 1f+1 0.004048 0.000865 0.001475 -0.005710 -0.012484 0.001045 32O 1f-1 -0.005362 0.004626 -0.000900 -0.001449 0.027972 0.006419 32O 1f+2 0.002277 -0.000414 0.001160 0.001728 -0.004495 -0.004009 32O 1f-2 -0.002180 -0.010808 -0.000560 0.018372 0.023649 -0.011217 32O 1f+3 -0.001910 0.001322 0.000084 -0.001724 0.006277 0.000638 32O 1f-3 -0.003818 0.004332 -0.002656 -0.005098 -0.001685 0.003693 33O 1s 0.004726 0.001051 0.000049 0.001867 -0.000111 -0.004277 33O 2s 0.012872 0.003630 0.001148 0.003035 -0.000784 -0.014714 33O 3s -0.029797 -0.022758 -0.019563 0.030676 0.015635 0.119154 33O 4s -0.233549 0.080623 0.085452 -0.201714 -0.110272 -0.243244 33O 5s 0.093120 -0.543015 -0.303021 -0.264467 0.109507 -0.095297 33O 1pz -0.011002 0.040678 -0.003250 -0.046627 -0.009721 0.004711 33O 1px 0.022844 -0.003529 -0.029905 0.005814 -0.023709 0.009949 33O 1py -0.009157 0.020652 -0.035505 -0.017661 -0.032152 0.052327 33O 2pz -0.020584 -0.122424 -0.054633 0.046661 -0.011385 -0.141058 33O 2px 0.076992 0.049333 0.022241 0.072416 0.028118 0.128750 33O 2py 0.009109 -0.051809 0.007760 0.048909 0.033494 -0.075282 33O 3pz -0.447201 0.500433 0.311533 -0.671518 -0.287579 0.028020 33O 3px 0.181424 0.182634 -0.140210 0.382314 0.070809 0.240557 33O 3py -0.229092 0.409916 0.044435 -0.370980 -0.099617 0.097200 33O 1dz2 0.004740 -0.000459 -0.004249 0.008801 -0.001366 -0.000642 33O 1dxz 0.001205 -0.001770 -0.000306 0.001480 -0.000395 -0.001213 33O 1dyz 0.005161 -0.005389 -0.004812 0.010523 0.001968 -0.007633 33O 1dx2y2 -0.001465 0.001845 0.003351 -0.006085 -0.001724 0.000670 33O 1dxy 0.000458 -0.002297 0.000143 -0.001174 -0.000821 -0.002862 33O 2dz2 0.104083 -0.046467 -0.107181 0.003831 -0.026750 0.012334 33O 2dxz 0.100251 -0.041617 -0.044529 0.117689 0.000135 0.018201 33O 2dyz 0.123356 -0.178385 -0.100920 0.078119 0.054813 -0.074211 33O 2dx2y2 -0.077311 0.032390 0.091219 -0.095800 0.003692 -0.111091 33O 2dxy 0.059681 -0.089978 0.013552 0.062224 0.012209 -0.113333 33O 1f0 0.004290 0.000494 -0.002628 0.004334 -0.000155 0.005340 33O 1f+1 0.001580 -0.001267 -0.000298 0.009238 0.001675 0.010167 33O 1f-1 -0.000329 -0.002570 -0.004223 0.006343 -0.002916 -0.007549 33O 1f+2 -0.002995 -0.000561 0.002707 -0.010402 -0.001737 -0.011766 33O 1f-2 0.001613 -0.003217 -0.003052 0.005137 0.000349 0.001599 33O 1f+3 -0.002870 -0.004783 -0.000531 0.000717 -0.000199 -0.004157 33O 1f-3 -0.000932 0.000117 -0.001139 -0.000897 0.000426 0.000018 34O 1s -0.002538 -0.003294 -0.002989 -0.001633 -0.001826 -0.000953 34O 2s -0.005575 -0.006050 -0.004856 -0.001851 -0.003702 0.001482 34O 3s -0.017978 -0.043434 -0.051517 -0.050617 -0.027477 -0.118215 34O 4s 0.245812 0.461525 0.351469 0.341236 0.370956 0.688665 34O 5s 0.527358 -0.132804 0.681870 -0.128436 -0.287053 0.573922 34O 1pz -0.033177 0.029644 0.049818 0.001061 0.034566 0.031455 34O 1px 0.019572 0.054481 0.054545 0.029369 0.002656 0.013510 34O 1py 0.015850 -0.029842 -0.014515 -0.024787 -0.009077 -0.014170 34O 2pz 0.028742 -0.028148 -0.057077 -0.017336 -0.022080 -0.070563 34O 2px 0.144114 0.089906 0.088860 0.097895 0.131962 0.431102 34O 2py -0.074137 -0.015723 -0.007237 0.024771 -0.024245 -0.077064 34O 3pz -0.168055 0.309955 0.250086 -0.011404 0.148807 -0.075904 34O 3px 0.444863 0.379103 0.756451 0.171983 0.255983 0.375933 34O 3py -0.069208 -0.536652 -0.403488 -0.196840 -0.179882 -0.056425 34O 1dz2 0.000745 0.002302 -0.000082 0.000766 0.001716 0.002192 34O 1dxz -0.003885 -0.005243 -0.009043 -0.004172 -0.000574 -0.002907 34O 1dyz 0.002868 0.010255 0.011529 0.004010 0.001112 -0.004632 34O 1dx2y2 0.001911 0.003751 0.009731 0.003602 0.000990 -0.000847 34O 1dxy 0.003338 0.007799 0.010452 0.005847 0.002783 0.002649 34O 2dz2 -0.030104 0.015002 -0.113634 0.000826 0.036423 -0.040645 34O 2dxz -0.093824 -0.029630 0.046649 -0.037374 0.015086 -0.045447 34O 2dyz 0.029361 0.193120 0.092621 0.014333 0.063943 -0.097239 34O 2dx2y2 0.089611 0.147302 0.177051 0.091211 0.066838 0.075843 34O 2dxy -0.038464 0.040334 -0.075328 0.020544 0.081238 -0.057793 34O 1f0 -0.000754 0.000307 0.000816 0.001937 -0.001051 0.005918 34O 1f+1 -0.006633 -0.006819 -0.003318 -0.007404 -0.004308 -0.019259 34O 1f-1 0.000138 -0.000891 -0.000346 0.000586 -0.002221 0.006615 34O 1f+2 -0.003731 -0.000954 0.000482 0.003193 -0.002678 0.000326 34O 1f-2 0.000447 0.002486 0.003817 0.003230 -0.001546 0.000471 34O 1f+3 -0.003559 -0.004417 -0.008787 -0.006888 -0.003154 -0.014313 34O 1f-3 0.000796 0.003680 0.006088 0.005048 0.002540 0.015572 35O 1s -0.002349 0.005053 0.002785 -0.005634 0.000554 -0.001318 35O 2s -0.003809 0.012668 0.006370 -0.012905 0.004232 -0.008287 35O 3s -0.052319 -0.000027 0.015335 -0.016748 -0.067357 0.135997 35O 4s 0.508885 -0.431352 -0.269176 0.432308 0.245670 -0.526595 35O 5s -0.126023 0.140173 -0.646925 0.576004 0.333860 -0.274062 35O 1pz -0.026275 -0.052436 -0.050285 0.025999 0.012366 0.038216 35O 1px 0.025359 -0.009859 0.000878 0.027503 0.013220 -0.021320 35O 1py 0.004007 -0.042018 -0.028879 0.059112 0.039262 -0.015706 35O 2pz 0.065617 0.020397 0.032674 -0.002022 0.005562 -0.036185 35O 2px 0.159139 -0.159333 -0.168830 0.156929 0.080019 -0.250913 35O 2py 0.112505 -0.040700 -0.052178 0.015438 -0.020845 -0.082359 35O 3pz 0.121079 -0.555780 -0.059903 0.368818 0.118388 -0.086306 35O 3px 0.283768 -0.145705 -0.246589 0.491283 0.422607 -0.481347 35O 3py 0.163127 -0.329889 -0.013976 0.486156 0.313461 -0.277931 35O 1dz2 -0.002319 0.003413 0.001530 -0.009042 -0.001433 0.000154 35O 1dxz -0.003131 0.002858 0.002512 -0.007138 -0.002481 0.007643 35O 1dyz -0.003458 0.006736 0.004205 -0.014478 -0.007655 0.003119 35O 1dx2y2 -0.000454 -0.001065 -0.001769 0.007744 0.005573 -0.004167 35O 1dxy -0.003203 0.003547 0.001596 -0.004170 -0.001651 0.001730 35O 2dz2 -0.118781 0.121492 0.036289 -0.156583 -0.031282 0.048544 35O 2dxz -0.061960 -0.041886 -0.081804 0.093275 0.000086 0.117868 35O 2dyz -0.124386 0.122666 -0.045642 -0.091450 -0.068855 0.000722 35O 2dx2y2 0.034368 -0.028227 0.012133 0.094090 0.098355 -0.128187 35O 2dxy -0.003291 0.006888 -0.055413 0.100697 0.029251 -0.087825 35O 1f0 -0.002136 0.001313 0.000686 -0.001936 0.000599 0.005751 35O 1f+1 -0.004223 0.004568 0.002322 -0.004988 -0.005819 0.015392 35O 1f-1 0.001476 0.000547 0.004373 -0.004130 -0.000061 0.008689 35O 1f+2 -0.002345 -0.001599 -0.001208 0.005889 0.002299 -0.003766 35O 1f-2 0.003062 0.000607 0.000692 -0.002335 -0.001648 -0.005055 35O 1f+3 0.000019 0.002834 -0.000031 -0.003348 -0.004223 0.006458 35O 1f-3 -0.006519 0.007755 0.006540 -0.006931 -0.006023 0.017533 438 439 440 441 442 443 2.46552 2.51239 2.51426 2.52052 2.54591 2.54989 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s -0.004310 0.000860 -0.000525 -0.000570 -0.000177 0.000288 0Rh 2s 0.021744 -0.004897 0.002571 0.002658 0.000651 -0.001322 0Rh 3s -0.012190 0.002098 -0.001535 -0.001748 -0.000647 0.000896 0Rh 4s -0.111098 0.025234 -0.013172 -0.013736 -0.003348 0.006852 0Rh 5s 0.161553 -0.042152 0.018815 0.020617 0.003653 -0.010271 0Rh 6s 0.092304 0.007749 0.012816 0.003377 0.008271 -0.002040 0Rh 7s -0.633496 -0.004463 -0.067464 -0.009630 -0.042538 -0.008440 0Rh 8s -0.312844 -0.125586 -0.058431 0.222372 -0.025573 -0.108439 0Rh 1pz 0.010104 -0.006062 0.000658 0.008193 -0.003712 -0.001229 0Rh 1px -0.002401 -0.005096 -0.000313 0.003617 -0.000583 -0.000652 0Rh 1py -0.001125 0.007664 -0.001274 0.007188 -0.002728 -0.003182 0Rh 2pz -0.036196 0.022112 -0.002453 -0.029833 0.013462 0.004472 0Rh 2px 0.008420 0.018497 0.001100 -0.013002 0.002026 0.002344 0Rh 2py 0.003941 -0.027853 0.004465 -0.026226 0.009909 0.011638 0Rh 3pz 0.033830 -0.028549 0.004361 0.037593 -0.015043 -0.005720 0Rh 3px -0.003998 -0.021838 -0.000572 0.012634 -0.000266 -0.002248 0Rh 3py -0.001585 0.033922 -0.001985 0.033951 -0.012111 -0.015578 0Rh 4pz 0.111449 -0.036470 -0.001520 0.051858 -0.037229 -0.006233 0Rh 4px -0.041988 -0.040212 -0.005400 0.040062 -0.014844 -0.007309 0Rh 4py -0.022603 0.054067 -0.023582 0.042894 -0.017526 -0.016673 0Rh 5pz -0.188187 0.055287 0.006176 -0.072164 0.092289 0.002053 0Rh 5px 0.068154 0.068105 0.008158 -0.070614 0.036264 0.010448 0Rh 5py 0.054831 -0.081975 0.046428 -0.061190 0.018121 0.018962 0Rh 6pz -0.533803 0.327238 -0.060818 -0.820436 -0.206747 0.075186 0Rh 6px -0.056525 0.376288 0.020390 -0.286663 -0.144852 0.094386 0Rh 6py -0.431372 -0.751387 -0.051595 -0.614307 0.369970 0.481045 0Rh 1dz2 -0.010200 0.006033 -0.011739 -0.009683 -0.005230 0.013906 0Rh 1dxz -0.012519 -0.006078 -0.001463 0.006030 0.002436 0.000570 0Rh 1dyz -0.000502 -0.006409 -0.020019 -0.007129 -0.000707 0.007046 0Rh 1dx2y2 0.015436 -0.009231 -0.003852 0.006978 0.000992 0.004536 0Rh 1dxy 0.008796 0.004092 -0.005293 0.011382 -0.004577 -0.000953 0Rh 2dz2 0.001951 -0.000130 0.006769 0.001365 -0.004133 -0.001135 0Rh 2dxz 0.002094 -0.002081 -0.000562 0.002059 0.000850 -0.001150 0Rh 2dyz -0.000370 0.000217 0.017839 0.002639 -0.009883 -0.001866 0Rh 2dx2y2 -0.005088 0.001207 0.001621 -0.002074 -0.001584 0.000442 0Rh 2dxy -0.002090 0.001277 0.006804 0.001036 -0.003708 -0.000698 0Rh 3dz2 0.019654 -0.016393 0.001897 0.020897 0.033615 -0.034252 0Rh 3dxz 0.025429 0.026530 0.006700 -0.026437 -0.010735 0.003489 0Rh 3dyz 0.003094 0.016961 -0.025264 0.008000 0.047048 -0.011105 0Rh 3dx2y2 -0.020204 0.020378 0.003268 -0.010257 0.004432 -0.014983 0Rh 3dxy -0.015161 -0.017455 -0.016256 -0.036818 0.029920 0.005997 0Rh 4dz2 0.029347 -0.001140 0.108665 0.022789 -0.065378 -0.014986 0Rh 4dxz 0.031414 -0.032920 -0.009123 0.034421 0.013344 -0.015856 0Rh 4dyz -0.004082 0.004138 0.281047 0.041429 -0.155594 -0.034122 0Rh 4dx2y2 -0.073359 0.019690 0.027831 -0.031307 -0.024891 0.009745 0Rh 4dxy -0.029735 0.022644 0.107874 0.017424 -0.059815 -0.012850 0Rh 5dz2 -0.203269 0.040300 -0.475833 -0.173327 0.191952 0.163709 0Rh 5dxz -0.205090 0.085284 0.018944 -0.106573 -0.028331 0.050119 0Rh 5dyz -0.064309 -0.080102 -1.126499 -0.205541 0.554808 0.246701 0Rh 5dx2y2 0.340838 -0.154118 -0.138745 0.177664 0.094730 -0.019999 0Rh 5dxy 0.144207 -0.078344 -0.415667 0.023060 0.185729 0.059883 0Rh 1f0 0.015001 -0.093243 0.049751 -0.089266 0.041036 0.040870 0Rh 1f+1 0.012301 0.017852 -0.040199 -0.067575 0.006174 -0.012425 0Rh 1f-1 -0.165324 0.004151 0.058072 -0.233189 0.043995 0.088748 0Rh 1f+2 0.001902 -0.187348 0.029224 0.146825 0.022112 -0.024474 0Rh 1f-2 0.111260 -0.112688 -0.104762 -0.065567 0.004644 0.021247 0Rh 1f+3 -0.104250 0.117952 -0.002933 0.012215 -0.014146 -0.025847 0Rh 1f-3 -0.080220 -0.110622 0.064484 -0.036935 0.017509 0.047485 1Rh 1s -0.004280 -0.000777 -0.000575 0.000521 -0.000193 -0.000250 1Rh 2s 0.021482 0.004498 0.002761 -0.002411 0.000706 0.001188 1Rh 3s -0.012176 -0.001852 -0.001712 0.001613 -0.000709 -0.000752 1Rh 4s -0.109760 -0.023189 -0.014157 0.012461 -0.003637 -0.006161 1Rh 5s 0.158959 0.039248 0.020087 -0.018660 0.003992 0.009528 1Rh 6s 0.093975 -0.009740 0.013774 -0.002931 0.008682 0.000381 1Rh 7s -0.631815 0.012858 -0.065186 0.012028 -0.042120 0.014587 1Rh 8s -0.310072 0.135772 -0.042612 -0.228134 -0.009295 0.112297 1Rh 1pz -0.010113 -0.005898 -0.001390 0.007996 0.003529 -0.002073 1Rh 1px 0.002304 -0.005073 -0.000253 0.003558 0.000552 -0.000720 1Rh 1py 0.001366 0.007454 0.001818 0.007083 0.002174 -0.003882 1Rh 2pz 0.036210 0.021513 0.005120 -0.029117 -0.012797 0.007535 1Rh 2px -0.008076 0.018414 0.000948 -0.012794 -0.001915 0.002571 1Rh 2py -0.004808 -0.027106 -0.006440 -0.025844 -0.007882 0.014181 1Rh 3pz -0.033390 -0.027715 -0.007762 0.036654 0.014193 -0.009142 1Rh 3px 0.003726 -0.021723 -0.001752 0.012516 0.000186 -0.002074 1Rh 3py 0.002509 0.033346 0.004282 0.033443 0.009370 -0.018652 1Rh 4pz -0.113497 -0.035830 -0.003055 0.050722 0.036172 -0.014645 1Rh 4px 0.040729 -0.040109 0.000594 0.038992 0.014344 -0.009913 1Rh 4py 0.024804 0.051206 0.027917 0.042403 0.014781 -0.021515 1Rh 5pz 0.193054 0.054849 0.000853 -0.070335 -0.090931 0.022549 1Rh 5px -0.066580 0.067739 -0.000529 -0.068013 -0.035414 0.016859 1Rh 5py -0.058774 -0.076706 -0.053809 -0.060918 -0.015197 0.025421 1Rh 6pz 0.510408 0.311344 0.106401 -0.807819 0.197511 0.035979 1Rh 6px 0.089301 0.374082 0.041695 -0.293931 0.144480 0.065673 1Rh 6py 0.423009 -0.749856 0.014098 -0.597022 -0.286208 0.557056 1Rh 1dz2 -0.010309 -0.004800 -0.012682 0.009350 -0.007658 -0.012666 1Rh 1dxz -0.013221 0.006177 -0.001036 -0.006057 0.002098 -0.000936 1Rh 1dyz -0.000620 0.008099 -0.019485 0.006480 -0.001638 -0.006615 1Rh 1dx2y2 0.015653 0.009376 -0.002548 -0.007033 -0.000235 -0.004544 1Rh 1dxy 0.008594 -0.003701 -0.005350 -0.011306 -0.004342 0.002099 1Rh 2dz2 0.001965 -0.000456 0.006771 -0.000984 -0.003875 0.002036 1Rh 2dxz 0.002116 0.002092 -0.000297 -0.002077 0.000977 0.000968 1Rh 2dyz -0.000520 -0.001705 0.017779 -0.001698 -0.009410 0.004046 1Rh 2dx2y2 -0.005227 -0.001287 0.001400 0.002121 -0.001543 -0.000070 1Rh 2dxy -0.002182 -0.001842 0.006650 -0.000714 -0.003490 0.001508 1Rh 3dz2 0.019893 0.015621 0.004532 -0.021701 0.039329 0.026637 1Rh 3dxz 0.027286 -0.026861 0.004291 0.026591 -0.010328 -0.001627 1Rh 3dyz 0.004090 -0.014906 -0.026486 -0.010467 0.047464 -0.000047 1Rh 3dx2y2 -0.020182 -0.020401 0.000612 0.010188 0.007746 0.013309 1Rh 3dxy -0.014182 0.018939 -0.015381 0.035125 0.028243 -0.012949 1Rh 4dz2 0.029641 -0.008242 0.108712 -0.016744 -0.062029 0.029287 1Rh 4dxz 0.031849 0.033126 -0.004856 -0.034704 0.014815 0.013028 1Rh 4dyz -0.006178 -0.027651 0.280098 -0.026653 -0.147244 0.068388 1Rh 4dx2y2 -0.075536 -0.021203 0.024307 0.032196 -0.024869 -0.003878 1Rh 4dxy -0.031171 -0.031594 0.105239 -0.012235 -0.056058 0.025954 1Rh 5dz2 -0.207501 0.002592 -0.484059 0.149405 0.162768 -0.205138 1Rh 5dxz -0.213743 -0.085039 0.003466 0.107599 -0.033032 -0.043377 1Rh 5dyz -0.061222 0.175494 -1.118905 0.148358 0.505480 -0.365525 1Rh 5dx2y2 0.352491 0.161798 -0.113084 -0.182336 0.089071 -0.000612 1Rh 5dxy 0.147800 0.112454 -0.403638 -0.041442 0.170350 -0.099206 1Rh 1f0 -0.013752 -0.087665 -0.054986 -0.089521 -0.034422 0.049194 1Rh 1f+1 -0.013556 0.014621 0.043269 -0.066348 -0.009290 -0.011579 1Rh 1f-1 0.161955 0.008387 -0.051177 -0.231108 -0.030588 0.098170 1Rh 1f+2 -0.001356 -0.183115 -0.050265 0.146059 -0.023386 -0.019324 1Rh 1f-2 -0.114013 -0.119976 0.095566 -0.062777 -0.000639 0.021409 1Rh 1f+3 0.103261 0.116033 0.012652 0.012769 0.009709 -0.028040 1Rh 1f-3 0.075683 -0.104574 -0.074898 -0.038056 -0.008575 0.050812 2C 1s 0.002042 -0.001978 0.000736 0.001170 -0.002557 -0.000231 2C 2s 0.007050 -0.004676 0.003178 0.000304 -0.006977 0.000144 2C 3s 0.035344 0.139213 -0.166075 -0.255801 0.283611 0.060013 2C 4s -0.750307 -0.625659 0.254927 1.819724 -1.174709 -0.487500 2C 5s 1.161209 -0.205783 -2.106542 0.104147 -0.693654 0.180207 2C 1pz -0.005876 0.048818 -0.058968 -0.105258 0.163997 -0.076500 2C 1px 0.065315 0.039511 0.029598 -0.142094 0.029486 0.080466 2C 1py 0.020676 0.028775 -0.080243 -0.009549 -0.024712 0.133826 2C 2pz -0.352749 -0.343919 0.044013 0.595357 0.048273 -1.000510 2C 2px 0.220463 -0.125015 0.429072 -0.396589 -0.004959 0.246876 2C 2py -0.751327 -0.088181 -0.449194 1.509834 -1.160809 0.788307 2C 3pz 0.297837 -0.054428 -0.459678 0.059423 -0.267105 0.137536 2C 3px 0.034420 -0.010092 -0.092067 0.139504 -0.074952 -0.066323 2C 3py 0.230608 -0.019232 -0.269806 -0.022607 -0.037630 -0.105625 2C 1dz2 0.008888 -0.025753 0.042877 -0.013406 0.050562 -0.098027 2C 1dxz 0.110726 -0.017011 0.090722 -0.137841 0.031976 0.000315 2C 1dyz -0.056418 -0.019364 -0.003297 0.123360 -0.075240 -0.011242 2C 1dx2y2 0.026046 -0.007947 -0.038017 -0.044803 0.084873 -0.104789 2C 1dxy 0.006392 -0.001843 -0.027688 0.041223 -0.068396 0.105468 2C 2dz2 -0.070891 -0.028672 -0.091062 0.295472 -0.540117 0.653401 2C 2dxz -0.715493 -0.048430 -0.591785 1.139376 -0.277825 -0.177485 2C 2dyz 0.071382 -0.026537 0.165240 -0.139665 0.089452 -0.160095 2C 2dx2y2 0.107399 -0.015225 -0.080308 0.162730 -0.407060 0.618211 2C 2dxy -0.025976 -0.159868 -0.027101 0.042808 0.344856 -0.701427 2C 1f0 0.008156 0.015718 -0.013664 0.050271 -0.094100 0.131592 2C 1f+1 0.033363 0.003249 0.035355 -0.090184 0.077190 -0.067358 2C 1f-1 -0.049602 -0.027173 0.018676 0.060234 -0.004723 -0.083982 2C 1f+2 0.035086 0.011410 -0.047196 -0.034642 0.038341 -0.030632 2C 1f-2 0.000207 -0.019989 -0.008404 0.081457 -0.081384 0.053792 2C 1f+3 -0.001724 0.013355 -0.048531 0.021971 -0.060147 0.124475 2C 1f-3 0.006806 0.016839 0.032206 -0.061667 0.027122 0.028551 3C 1s 0.000833 -0.000934 -0.000237 -0.001646 0.002029 -0.000721 3C 2s 0.003716 -0.000183 -0.000938 -0.004573 0.005808 -0.002452 3C 3s 0.073983 0.247421 0.180166 0.130047 -0.307291 0.016269 3C 4s -0.916161 -1.801149 -0.509411 -0.582964 1.321508 0.084818 3C 5s -2.056180 -0.241122 1.846215 0.031248 0.573353 -0.111800 3C 1pz -0.009992 -0.057215 0.095213 0.001231 -0.004093 -0.012138 3C 1px 0.046929 0.082591 0.035705 -0.002781 0.009273 -0.085146 3C 1py -0.012237 -0.128273 -0.053517 -0.059163 0.165504 -0.041185 3C 2pz -0.892103 -1.784494 0.434166 -0.262709 0.871863 -0.151764 3C 2px -0.242103 -0.434632 -0.160172 0.037715 0.354075 -0.639221 3C 2py 0.396501 0.333377 0.308513 0.271226 -0.169668 -0.465878 3C 3pz -0.261396 0.066455 0.227216 0.017001 0.076518 -0.023102 3C 3px -0.189690 -0.085910 0.120517 -0.001390 0.007521 0.067716 3C 3py 0.520092 0.143787 -0.416160 0.031169 -0.242335 0.055141 3C 1dz2 -0.027266 -0.038684 -0.014927 0.003608 0.023350 0.009378 3C 1dxz 0.002314 -0.039910 -0.028786 0.007454 0.063925 -0.099399 3C 1dyz 0.075962 0.186731 -0.018550 0.026248 -0.080841 -0.013154 3C 1dx2y2 -0.052322 -0.089878 0.078940 0.002864 0.029528 -0.059383 3C 1dxy -0.061848 -0.054319 0.042999 0.000034 -0.009791 0.019400 3C 2dz2 0.071831 0.356961 -0.152282 0.144237 -0.163363 -0.074925 3C 2dxz -0.187658 0.018633 -0.062319 -0.009983 -0.268556 0.547339 3C 2dyz -0.258890 -0.664920 0.347736 -0.027291 0.107014 0.060954 3C 2dx2y2 0.379786 0.715535 -0.214280 0.132387 -0.512788 0.371619 3C 2dxy 0.427496 0.764730 -0.224963 0.017874 -0.011784 -0.239089 3C 1f0 0.022869 0.102895 -0.045169 0.023091 -0.081653 0.067086 3C 1f+1 0.001970 0.030884 -0.028108 0.002041 0.003597 -0.042776 3C 1f-1 0.019225 -0.044025 0.038401 0.001604 0.060145 -0.052051 3C 1f+2 0.037480 0.084314 0.049535 0.019533 -0.048452 -0.034845 3C 1f-2 0.012004 0.034939 0.038284 0.012216 -0.040629 0.033381 3C 1f+3 0.014451 0.067723 -0.038085 0.012504 -0.068732 0.076174 3C 1f-3 -0.011960 -0.040389 0.014534 -0.009120 0.004301 0.027569 4C 1s -0.009254 0.000281 0.011343 0.003476 -0.000650 -0.001138 4C 2s -0.029245 0.003111 0.029314 0.005445 0.004279 -0.002771 4C 3s 0.447910 -0.113578 0.047162 -0.012008 -0.380185 0.055398 4C 4s -1.053343 0.333980 -0.988740 -0.407475 1.668951 -0.123175 4C 5s -0.028328 -0.185913 -0.719645 -0.732797 0.788653 -0.026995 4C 1pz 0.216548 0.005263 -0.036382 -0.147178 -0.032650 0.069905 4C 1px 0.003530 -0.015545 -0.013737 0.025175 -0.002953 -0.019707 4C 1py 0.108845 0.000098 -0.016781 -0.092525 0.018410 0.009147 4C 2pz -1.137372 -0.221841 -0.023430 1.209904 -0.071124 -0.526409 4C 2px -0.302448 -0.048459 0.048993 0.074529 -0.014717 -0.003241 4C 2py -0.771347 -0.192910 -0.078490 0.897375 -0.260840 -0.129217 4C 3pz 1.148381 -0.294796 -2.174498 -0.043680 -0.476073 0.045154 4C 3px 0.147715 0.029145 -0.383135 -0.322648 0.013902 0.119124 4C 3py 0.575495 -0.190820 -1.497794 -0.031093 -0.291535 0.152216 4C 1dz2 -0.053520 -0.045999 0.021206 0.088109 -0.056346 0.021778 4C 1dxz -0.008990 -0.011487 0.002775 0.045694 -0.044843 0.004588 4C 1dyz -0.030144 -0.032801 0.047279 0.080590 -0.068812 -0.041386 4C 1dx2y2 -0.005832 -0.016543 0.027223 -0.017384 -0.044166 0.032637 4C 1dxy -0.016075 -0.005959 0.034274 0.015151 0.004444 -0.016460 4C 2dz2 0.524732 0.120687 0.393564 -0.700323 -0.016152 0.360201 4C 2dxz 0.098664 -0.079085 0.266778 -0.089262 -0.080138 0.013636 4C 2dyz 0.221139 0.170965 0.191584 -0.594019 0.267442 0.150422 4C 2dx2y2 -0.462369 -0.092916 -0.704337 0.655748 0.084658 -0.129515 4C 2dxy -0.370943 -0.039959 -0.322247 0.318375 0.204522 -0.278433 4C 1f0 0.030767 -0.024325 0.037111 -0.060693 0.057805 -0.120103 4C 1f+1 0.056829 -0.035291 0.053020 -0.046244 -0.047414 0.048121 4C 1f-1 0.062312 0.017762 0.006544 -0.076830 -0.001449 0.053486 4C 1f+2 0.043975 0.004293 -0.023334 -0.023664 0.041785 0.007903 4C 1f-2 0.048523 0.012551 0.002862 -0.052505 0.016735 -0.001713 4C 1f+3 0.034722 -0.003575 0.006503 -0.051200 0.024226 -0.030898 4C 1f-3 -0.009166 0.004104 0.038571 0.018978 -0.055603 0.013994 5C 1s 0.002260 -0.001764 -0.012704 0.000775 0.000342 0.001511 5C 2s 0.005551 -0.000783 -0.033587 0.004127 -0.006007 0.004511 5C 3s -0.168596 -0.028396 0.004579 -0.115002 0.419524 -0.077282 5C 4s 1.049520 0.502082 0.926539 0.356991 -1.807551 0.106545 5C 5s 0.873476 0.629557 0.890908 -0.197027 -0.772939 -0.317965 5C 1pz 0.007937 0.104298 0.023163 0.007773 -0.028323 -0.023423 5C 1px 0.020153 0.010939 0.039344 0.011028 0.011498 0.016137 5C 1py -0.047767 -0.131674 -0.068230 -0.003669 -0.025600 0.044311 5C 2pz -0.135580 -0.880093 0.014908 -0.201186 0.333625 0.124289 5C 2px -0.404978 -0.340158 -0.251010 -0.075895 -0.103333 -0.105136 5C 2py 0.336347 1.135460 0.206118 0.214172 -0.179319 -0.240425 5C 3pz -1.058822 -0.250254 1.242045 -0.124418 0.205739 -0.131227 5C 3px -0.626788 0.091357 0.798254 -0.108529 0.157931 -0.132989 5C 3py 1.507196 0.095327 -2.070133 0.129834 -0.405419 0.260963 5C 1dz2 0.041485 0.037469 0.054535 0.041965 -0.039966 0.017551 5C 1dxz 0.001288 -0.016019 0.007210 0.006871 -0.019632 0.003047 5C 1dyz 0.036922 0.056621 0.061622 0.005813 -0.047471 0.005758 5C 1dx2y2 0.007884 0.080648 0.011114 0.025054 -0.044642 0.002137 5C 1dxy -0.000614 0.052077 0.026097 0.024789 -0.054665 -0.027010 5C 2dz2 0.147839 0.270999 -0.322564 -0.011492 0.236170 -0.077287 5C 2dxz 0.217833 0.375993 -0.382695 0.130046 -0.120589 0.019631 5C 2dyz -0.368353 -0.521218 -0.030680 -0.108590 0.220578 0.055676 5C 2dx2y2 -0.755300 -0.896402 0.426052 -0.003160 -0.225811 0.188922 5C 2dxy -0.119000 -0.217795 0.195471 -0.133164 0.257167 0.005000 5C 1f0 -0.025201 -0.074670 -0.023519 -0.016558 0.043467 -0.031798 5C 1f+1 -0.036133 -0.039101 -0.033747 0.010782 0.033592 0.004483 5C 1f-1 0.058232 0.079701 0.000465 0.016147 -0.050580 0.037326 5C 1f+2 0.034043 -0.023881 -0.002091 -0.014239 0.001609 0.009348 5C 1f-2 0.027022 -0.002086 0.027649 -0.008927 -0.014226 0.003889 5C 1f+3 0.030376 0.064429 -0.025331 -0.022012 0.050205 -0.080331 5C 1f-3 -0.006526 -0.049694 0.052768 0.031638 -0.020780 -0.043386 6C 1s 0.002387 0.002878 -0.012484 -0.001184 -0.000027 -0.001513 6C 2s 0.006004 0.003782 -0.033310 -0.005026 -0.006980 -0.002904 6C 3s -0.175547 0.026549 0.007754 0.101823 0.429144 -0.023300 6C 4s 1.055702 -0.576240 0.865406 -0.272814 -1.798844 0.322512 6C 5s 0.854020 -0.708907 0.814890 0.249906 -0.679467 0.490836 6C 1pz -0.007251 0.105770 -0.014395 0.006699 0.024158 -0.027563 6C 1px -0.016706 0.013301 -0.037871 0.009812 -0.008768 0.017449 6C 1py 0.045797 -0.137088 0.056408 -0.003889 0.033106 0.038355 6C 2pz 0.139631 -0.871311 -0.082871 -0.197116 -0.313517 0.192565 6C 2px 0.375322 -0.362182 0.213478 -0.070762 0.086870 -0.120498 6C 2py -0.337376 1.148727 -0.111661 0.209248 0.137425 -0.279103 6C 3pz 1.064785 -0.145260 -1.258869 -0.157289 -0.233896 -0.065746 6C 3px 0.628327 0.160082 -0.790299 -0.128952 -0.180490 -0.092926 6C 3py -1.527223 -0.075584 2.072137 0.172801 0.449712 0.150937 6C 1dz2 0.041213 -0.041448 0.051854 -0.039094 -0.044187 -0.007730 6C 1dxz 0.000834 0.015633 0.008227 -0.006649 -0.020026 0.001061 6C 1dyz 0.037008 -0.062360 0.055777 -0.002046 -0.047098 0.005844 6C 1dx2y2 0.006962 -0.080715 0.004240 -0.024324 -0.044356 0.008112 6C 1dxy -0.000269 -0.054173 0.022043 -0.023101 -0.049304 0.038920 6C 2dz2 0.142387 -0.244948 -0.344132 -0.006492 0.246099 0.021647 6C 2dxz 0.217927 -0.339347 -0.409453 -0.140080 -0.127086 0.008783 6C 2dyz -0.365515 0.526468 0.016870 0.100630 0.205751 -0.107779 6C 2dx2y2 -0.743620 0.863950 0.509470 0.024380 -0.260063 -0.137810 6C 2dxy -0.127915 0.193421 0.205597 0.132059 0.256924 -0.062005 6C 1f0 0.024874 -0.076651 0.016868 -0.015427 -0.049925 -0.020311 6C 1f+1 0.036318 -0.040908 0.029850 0.012024 -0.032183 0.012378 6C 1f-1 -0.056605 0.078350 0.006410 0.016123 0.059552 0.024859 6C 1f+2 -0.034131 -0.023199 0.000876 -0.013774 0.000907 0.009400 6C 1f-2 -0.026685 -0.000329 -0.027113 -0.010285 0.014396 0.000472 6C 1f+3 -0.028884 0.062494 0.032095 -0.019105 -0.064818 -0.066186 6C 1f-3 0.004913 -0.043508 -0.057457 0.028042 0.012777 -0.046152 7C 1s -0.009285 -0.001178 0.011374 -0.003198 -0.000587 0.001224 7C 2s -0.029180 -0.005375 0.029123 -0.004978 0.004220 0.001606 7C 3s 0.444850 0.104986 0.053928 0.031081 -0.375037 0.034699 7C 4s -1.043042 -0.235236 -1.014634 0.302705 1.640547 -0.268491 7C 5s -0.014142 0.246044 -0.721760 0.683641 0.796493 -0.155300 7C 1pz -0.216424 0.003306 0.040541 -0.148083 0.042611 0.061144 7C 1px -0.001109 -0.017679 0.012384 0.027276 0.000878 -0.018311 7C 1py -0.109875 -0.000203 0.020159 -0.092116 -0.018194 0.012534 7C 2pz 1.147591 -0.229240 -0.024942 1.215189 -0.018157 -0.536377 7C 2px 0.288794 -0.040365 -0.062535 0.072579 0.009365 -0.013013 7C 2py 0.777977 -0.205205 0.030656 0.896278 0.246414 -0.180523 7C 3pz -1.155628 -0.476302 2.139322 0.004549 0.462904 -0.075170 7C 3px -0.157112 -0.003475 0.384574 -0.310660 -0.005719 0.118997 7C 3py -0.599459 -0.315059 1.477120 -0.004308 0.309100 0.080873 7C 1dz2 -0.053201 0.044062 0.027069 -0.084455 -0.061112 -0.010495 7C 1dxz -0.008708 0.011527 0.004863 -0.043663 -0.046363 0.003579 7C 1dyz -0.032693 0.028963 0.051735 -0.078788 -0.060109 0.057186 7C 1dx2y2 -0.003159 0.014451 0.028247 0.020682 -0.050007 -0.024739 7C 1dxy -0.016230 0.002609 0.034445 -0.014128 0.007342 0.016396 7C 2dz2 0.532889 -0.154914 0.367718 0.720285 -0.075245 -0.352862 7C 2dxz 0.092000 0.056075 0.267790 0.092451 -0.091002 -0.000932 7C 2dyz 0.232586 -0.187904 0.159522 0.594824 0.239946 -0.210324 7C 2dx2y2 -0.468808 0.158195 -0.672183 -0.687030 0.092303 0.105945 7C 2dxy -0.374453 0.068483 -0.310103 -0.343039 0.242444 0.226034 7C 1f0 -0.026747 -0.021014 -0.036993 -0.056848 -0.082604 -0.108995 7C 1f+1 -0.054499 -0.031012 -0.054258 -0.048189 0.053823 0.034875 7C 1f-1 -0.063761 0.018339 -0.003274 -0.077788 0.010204 0.051971 7C 1f+2 -0.039312 0.002024 0.024376 -0.019344 -0.040833 0.014576 7C 1f-2 -0.047791 0.013176 -0.000163 -0.052883 -0.018906 0.001424 7C 1f+3 -0.035654 -0.002495 -0.005047 -0.052281 -0.032830 -0.026316 7C 1f-3 0.007635 0.007727 -0.038722 0.014257 0.057220 0.002602 8C 1s 0.000758 0.000943 -0.000203 0.001600 0.002201 0.000187 8C 2s 0.003475 0.000189 -0.001075 0.004462 0.006425 0.000907 8C 3s 0.077127 -0.260448 0.159689 -0.116879 -0.308330 0.056735 8C 4s -0.920248 1.834533 -0.354146 0.534982 1.293569 -0.395545 8C 5s -2.065740 0.097687 1.870430 -0.007525 0.569956 -0.029517 8C 1pz 0.008529 -0.048682 -0.099437 -0.003364 -0.000502 -0.013836 8C 1px -0.046072 0.088131 -0.026551 -0.003585 -0.024356 -0.080107 8C 1py 0.013676 -0.131279 0.043717 -0.053431 -0.171904 -0.002335 8C 2pz 0.881871 -1.728282 -0.582564 -0.272779 -0.917592 0.053729 8C 2px 0.229900 -0.432722 0.127453 0.051262 -0.451659 -0.528390 8C 2py -0.408350 0.371884 -0.275716 0.246288 0.075257 -0.493377 8C 3pz 0.264095 0.083087 -0.222394 0.018182 -0.073448 -0.008251 8C 3px 0.191448 -0.077538 -0.128095 -0.002836 0.002612 0.070932 8C 3py -0.520587 0.108233 0.430283 0.037337 0.247865 -0.006956 8C 1dz2 -0.026270 0.038946 -0.011158 -0.004071 0.022602 -0.012590 8C 1dxz 0.003465 0.041148 -0.025090 -0.009094 0.081336 0.081456 8C 1dyz 0.074550 -0.183461 -0.034631 -0.026786 -0.079630 0.031746 8C 1dx2y2 -0.049996 0.079787 0.085667 0.000524 0.041728 0.050399 8C 1dxy -0.061811 0.051986 0.048289 0.002764 -0.011112 -0.016835 8C 2dz2 0.068831 -0.341335 -0.178553 -0.146713 -0.155507 0.103546 8C 2dxz -0.185659 -0.006167 -0.057775 0.011837 -0.368694 -0.469102 8C 2dyz -0.249533 0.628434 0.403333 0.047244 0.108393 -0.084075 8C 2dx2y2 0.365825 -0.675160 -0.265919 -0.135668 -0.584758 -0.239915 8C 2dxy 0.430906 -0.754411 -0.297812 -0.031548 0.021176 0.236765 8C 1f0 -0.023321 0.097869 0.053014 0.023986 0.095088 0.045496 8C 1f+1 -0.001943 0.028667 0.029650 0.003253 -0.010768 -0.040652 8C 1f-1 -0.018074 -0.040740 -0.041957 0.001418 -0.069445 -0.036634 8C 1f+2 -0.037053 0.087839 -0.042194 0.016516 0.040218 -0.045308 8C 1f-2 -0.012019 0.038955 -0.034976 0.010099 0.046996 0.022759 8C 1f+3 -0.015066 0.064139 0.043002 0.013289 0.083620 0.056905 8C 1f-3 0.011241 -0.037890 -0.018010 -0.009716 0.000879 0.027524 9C 1s 0.002028 0.001885 0.000918 -0.001042 -0.002463 0.000814 9C 2s 0.007150 0.004328 0.003560 0.000158 -0.006800 0.001462 9C 3s 0.037608 -0.124106 -0.183275 0.240450 0.266342 -0.124548 9C 4s -0.769219 0.603207 0.352864 -1.775414 -1.067483 0.752395 9C 5s 1.159666 0.383270 -2.078532 -0.149543 -0.711285 -0.010564 9C 1pz 0.003978 0.043577 0.066790 -0.096259 -0.176670 -0.040698 9C 1px -0.066756 0.042469 -0.022654 -0.144483 -0.020709 0.081160 9C 1py -0.022180 0.021757 0.079854 -0.011043 0.052475 0.131169 9C 2pz 0.378838 -0.342985 -0.075306 0.616167 -0.254585 -1.006342 9C 2px -0.205313 -0.084485 -0.425472 -0.411231 0.011893 0.204197 9C 2py 0.726058 -0.127708 0.375264 1.453306 1.334111 0.562482 9C 3pz -0.301760 -0.092259 0.449653 0.062104 0.287181 0.076162 9C 3px -0.035786 -0.017620 0.086527 0.137962 0.070482 -0.079642 9C 3py -0.227762 -0.041060 0.270580 -0.013226 0.013121 -0.120440 9C 1dz2 0.003783 0.021578 0.042757 0.008906 0.070371 0.089155 9C 1dxz 0.107475 0.008446 0.086871 0.138853 0.037883 -0.002307 9C 1dyz -0.054921 0.020301 0.002572 -0.118625 -0.073448 0.026493 9C 1dx2y2 0.023800 0.011385 -0.038378 0.040291 0.107833 0.089097 9C 1dxy 0.008281 0.003808 -0.025080 -0.036798 -0.087181 -0.088810 9C 2dz2 -0.048330 0.037753 -0.060697 -0.254659 -0.664221 -0.542530 9C 2dxz -0.709843 0.103499 -0.548800 -1.147165 -0.286002 0.202453 9C 2dyz 0.054584 0.009395 0.149907 0.124393 0.123920 0.148089 9C 2dx2y2 0.103691 0.018403 -0.071409 -0.147835 -0.545447 -0.549805 9C 2dxy -0.048328 0.166384 -0.026628 -0.079825 0.464073 0.615757 9C 1f0 -0.005951 0.014668 0.012731 0.048302 0.121142 0.111970 9C 1f+1 -0.032101 0.006802 -0.031135 -0.087412 -0.090702 -0.050829 9C 1f-1 0.049419 -0.025420 -0.022332 0.058838 -0.012460 -0.084747 9C 1f+2 -0.035573 0.007855 0.048414 -0.034667 -0.045665 -0.020949 9C 1f-2 0.000869 -0.020488 0.004358 0.077647 0.091303 0.036391 9C 1f+3 0.000584 0.008417 0.047809 0.022134 0.087056 0.112553 9C 1f-3 -0.006821 0.020373 -0.026801 -0.061747 -0.021772 0.035245 10H 1s -0.067211 0.006252 -0.039715 0.079585 -0.016416 0.021301 10H 2s -0.530866 0.015875 -0.654681 0.660853 0.258754 -0.776678 10H 3s 0.063005 0.012107 0.172775 -0.125340 -0.036172 0.175226 10H 1pz 0.027507 0.036225 -0.066983 -0.021966 -0.063816 0.107697 10H 1px 0.271740 0.029461 0.296280 -0.406138 -0.110154 0.388667 10H 1py 0.082383 0.073120 0.108120 -0.269151 0.189501 -0.144957 11H 1s 0.055697 -0.031716 0.025548 0.060123 -0.117886 0.086387 11H 2s 0.645012 0.009957 0.586173 -1.625818 1.266144 -0.923356 11H 3s -0.103038 -0.003070 0.017425 0.329600 -0.323134 0.249307 11H 1pz 0.123170 -0.026843 0.080783 -0.273257 0.140290 -0.018460 11H 1px 0.179264 -0.008787 0.080891 -0.357867 0.398387 -0.393804 11H 1py -0.137816 -0.038165 -0.251117 0.452676 -0.295739 0.182918 12H 1s -0.036856 -0.023962 0.046303 0.014999 0.064254 -0.138734 12H 2s -0.092534 0.222732 -0.398208 0.415516 -1.012822 1.790821 12H 3s -0.029448 -0.022946 0.207270 -0.097129 0.308739 -0.474727 12H 1pz 0.006467 0.016824 0.009741 -0.098429 0.286193 -0.424155 12H 1px -0.014611 -0.009331 -0.222790 0.259406 -0.244862 0.300260 12H 1py -0.031054 0.090360 -0.077420 0.053073 -0.244216 0.508608 13H 1s -0.066797 -0.076969 0.017975 -0.014074 0.015856 -0.001636 13H 2s -0.449524 -0.713429 0.533700 -0.090076 -0.109194 0.635705 13H 3s 0.133782 0.129661 -0.121076 -0.006950 0.043073 -0.131704 13H 1pz -0.078796 0.014964 0.054191 0.033023 -0.142844 0.204600 13H 1px 0.202413 0.476772 -0.248091 0.070432 -0.019326 -0.223990 13H 1py -0.005341 -0.049015 -0.047522 0.025386 -0.098390 0.083317 14H 1s -0.042737 -0.018168 -0.057428 0.010894 -0.057710 0.070765 14H 2s -0.180880 -0.671258 0.480600 0.021512 0.607456 -1.074025 14H 3s 0.102104 0.137324 -0.196355 -0.003047 -0.204299 0.240831 14H 1pz -0.042658 0.075380 -0.048640 0.079791 -0.009324 -0.179450 14H 1px -0.073264 -0.345517 0.248906 -0.025360 0.231078 -0.321631 14H 1py -0.013044 -0.090334 -0.009288 -0.068966 0.192857 -0.212348 15H 1s 0.058132 -0.040393 -0.021077 -0.026445 0.105950 -0.046284 15H 2s 0.615924 1.831433 -0.493372 0.208637 -1.031992 0.408127 15H 3s 0.028214 -0.371727 -0.000082 -0.073004 0.258413 -0.107221 15H 1pz -0.188563 -0.603792 0.224698 -0.106770 0.352873 -0.135225 15H 1px 0.057707 0.034542 0.079850 0.003808 -0.129041 0.150571 15H 1py -0.134746 -0.400128 0.078001 -0.013694 0.197455 -0.040536 16H 1s -0.197506 0.006772 -0.073888 -0.060628 0.052685 0.003348 16H 2s 0.588008 -0.081598 0.329990 0.193138 -0.049583 -0.115215 16H 3s -0.160696 0.049483 -0.112575 -0.100634 0.103328 -0.022256 16H 1pz 0.201248 -0.026855 0.142848 0.032204 0.018818 -0.067987 16H 1px 0.154290 -0.011494 0.006406 0.047743 0.009844 -0.050033 16H 1py -0.162472 -0.027249 0.024255 -0.045868 0.012954 0.029197 17H 1s -0.076102 0.001280 0.031549 -0.060240 -0.026600 0.083618 17H 2s 0.280749 -0.043303 -0.191941 0.097778 0.055887 0.083475 17H 3s 0.035234 0.006007 0.102060 -0.078712 -0.071111 0.118079 17H 1pz -0.227469 0.021293 0.003414 -0.033146 0.009252 -0.049593 17H 1px 0.062157 0.018351 0.097187 0.033845 -0.018608 -0.108762 17H 1py -0.166139 -0.041064 -0.114368 -0.059804 0.024897 0.141025 18H 1s -0.081611 -0.004348 0.024121 0.062654 -0.037798 -0.077530 18H 2s 0.300613 0.056216 -0.161610 -0.104785 0.037514 -0.098447 18H 3s 0.033069 -0.016959 0.097371 0.085817 -0.086517 -0.101707 18H 1pz 0.233191 0.018125 0.009185 -0.029722 -0.019220 -0.052933 18H 1px -0.063005 0.026607 -0.094416 0.029420 0.001998 -0.113557 18H 1py 0.176931 -0.051241 0.115794 -0.056269 -0.004069 0.144354 19H 1s -0.204361 -0.000074 -0.081802 0.056035 0.053328 -0.013906 19H 2s 0.602519 0.041598 0.359584 -0.171761 -0.040911 0.135578 19H 3s -0.163818 -0.040780 -0.120717 0.093562 0.106247 0.000747 19H 1pz -0.209493 -0.006929 -0.152844 0.023624 -0.024677 -0.071706 19H 1px -0.159803 -0.008035 -0.013962 0.046734 -0.015846 -0.046705 19H 1py 0.166312 -0.024270 -0.020136 -0.046551 -0.009431 0.025776 20H 1s 0.055576 0.042792 -0.018045 0.023368 0.114134 0.021136 20H 2s 0.602776 -1.766246 -0.644251 -0.222781 -1.124117 -0.156423 20H 3s 0.030210 0.364579 0.030707 0.075981 0.285242 0.040230 20H 1pz 0.182935 -0.576892 -0.273170 -0.113230 -0.383280 -0.049725 20H 1px -0.053004 0.043873 -0.074876 0.000389 0.158744 0.115925 20H 1py 0.133105 -0.387349 -0.112099 -0.016181 -0.206934 0.007342 21H 1s -0.038991 0.023044 -0.055362 -0.012216 -0.070999 -0.054940 21H 2s -0.172663 0.606948 0.527222 -0.005456 0.809306 0.894083 21H 3s 0.102808 -0.118180 -0.206612 -0.000962 -0.245897 -0.185255 21H 1pz 0.040039 0.070376 0.051887 0.079890 -0.024273 -0.175786 21H 1px 0.070473 -0.315835 -0.273886 -0.033850 -0.291669 -0.255178 21H 1py 0.008413 -0.087348 0.004202 -0.065837 -0.233061 -0.162334 22H 1s -0.067413 0.075277 0.025074 0.014119 0.014716 -0.003178 22H 2s -0.443935 0.668676 0.596113 0.121009 -0.199141 -0.585959 22H 3s 0.132779 -0.120923 -0.131972 0.001362 0.061412 0.117715 22H 1pz 0.078307 0.019656 -0.053677 0.027613 0.175362 0.163511 22H 1px -0.201045 0.455670 0.288478 0.082243 -0.015032 -0.221875 22H 1py 0.008539 -0.054641 0.042458 0.026394 0.115764 0.058271 23H 1s -0.033468 0.019373 0.048486 -0.014579 0.090610 0.125195 23H 2s -0.064910 -0.190758 -0.379093 -0.360582 -1.369597 -1.586979 23H 3s -0.030740 0.003982 0.201781 0.091065 0.401340 0.411738 23H 1pz 0.001696 0.018916 0.001417 -0.083101 -0.371014 -0.365929 23H 1px 0.015306 -0.030437 0.209526 0.250723 0.304027 0.247692 23H 1py 0.021013 0.084962 0.079003 0.040833 0.347265 0.460356 24H 1s 0.051485 0.029272 0.029993 -0.057032 -0.135858 -0.062936 24H 2s 0.617161 -0.062415 0.513743 1.572922 1.487942 0.695839 24H 3s -0.094273 0.001860 0.032446 -0.310531 -0.381714 -0.191202 24H 1pz -0.119923 -0.020527 -0.074099 -0.264974 -0.146748 0.006789 24H 1px -0.167648 -0.000041 -0.064214 -0.344630 -0.488731 -0.319186 24H 1py 0.133454 -0.062105 0.228498 0.439705 0.339059 0.129314 25H 1s -0.070549 -0.002403 -0.038709 -0.081280 -0.019540 -0.015596 25H 2s -0.512025 0.047266 -0.630092 -0.688448 0.371065 0.683809 25H 3s 0.058849 -0.028410 0.166266 0.131334 -0.059136 -0.159800 25H 1pz -0.037195 0.028786 0.066403 -0.024481 0.086717 0.096842 25H 1px -0.272268 0.056691 -0.281123 -0.419062 0.170819 0.352093 25H 1py -0.089427 0.084854 -0.095005 -0.270087 -0.221974 -0.104878 26O 1s -0.005451 0.002988 -0.000371 -0.000252 0.001434 -0.001170 26O 2s -0.014117 0.009524 -0.000664 -0.000219 0.003009 -0.003287 26O 3s -0.002116 -0.050206 -0.024909 0.036361 0.018944 -0.006504 26O 4s 0.516747 0.046712 0.068452 -0.442284 -0.121439 0.236594 26O 5s 0.336505 0.223690 2.314453 -0.389144 -0.646819 0.088156 26O 1pz -0.047608 0.036031 -0.087852 -0.016338 0.100773 -0.103915 26O 1px 0.019627 -0.018147 0.016109 -0.063063 0.055182 -0.067033 26O 1py -0.009948 -0.007345 -0.037716 0.039712 -0.074503 0.144109 26O 2pz 0.008562 -0.048206 0.048210 0.143891 -0.148379 0.095165 26O 2px -0.343514 0.017701 -0.255841 0.374078 0.049951 -0.053464 26O 2py -0.134548 0.000316 -0.084261 0.138551 0.139932 -0.228112 26O 3pz -0.109468 0.016843 0.343416 -0.180468 0.121239 -0.151214 26O 3px -0.221787 -0.201491 -0.313014 -0.095693 0.213301 -0.116160 26O 3py -0.037878 0.034287 0.097427 -0.120144 -0.091853 0.039994 26O 1dz2 0.000327 0.001195 0.000005 -0.008418 0.002195 0.004095 26O 1dxz -0.003282 -0.000205 0.002003 -0.004152 0.003353 -0.000204 26O 1dyz 0.000926 0.001674 0.004732 -0.014522 -0.000177 0.003271 26O 1dx2y2 -0.001124 -0.000606 0.000974 0.005165 -0.001739 -0.001323 26O 1dxy -0.003735 0.001029 0.004467 -0.001645 -0.001053 0.001034 26O 2dz2 -0.045024 -0.026041 0.074357 0.005708 -0.015708 -0.008129 26O 2dxz 0.056907 -0.018587 0.232761 -0.072253 -0.070513 0.084529 26O 2dyz 0.055599 -0.011754 0.270622 -0.042814 -0.124609 -0.006026 26O 2dx2y2 0.011935 0.006062 -0.080165 0.059824 -0.048390 0.083112 26O 2dxy 0.008679 0.027551 0.193339 -0.033896 -0.025984 -0.050707 26O 1f0 0.004375 0.002622 -0.001634 -0.003923 0.000835 0.002251 26O 1f+1 0.001686 -0.001045 0.003623 0.006370 -0.010199 -0.001513 26O 1f-1 0.010331 -0.000552 -0.003372 0.003517 -0.003826 0.001982 26O 1f+2 -0.004435 0.001766 0.002279 -0.002257 -0.000015 -0.002423 26O 1f-2 -0.003962 -0.002504 -0.001065 0.012165 -0.003587 -0.003159 26O 1f+3 0.004532 0.000653 0.001846 0.001703 0.000195 0.001542 26O 1f-3 0.013038 -0.004329 0.005580 -0.007499 -0.008207 0.002469 27O 1s -0.005484 0.000458 -0.001453 0.001816 0.000107 0.001752 27O 2s -0.015751 0.001112 -0.004532 0.005259 0.002549 0.005974 27O 3s 0.049341 -0.039969 0.033934 -0.014485 -0.066757 -0.023249 27O 4s 0.201498 0.407809 0.066249 -0.079041 0.279746 -0.105079 27O 5s 0.941273 0.481397 -2.013140 0.175978 0.710190 0.167803 27O 1pz -0.077439 -0.053029 0.037784 -0.044212 0.051578 -0.061624 27O 1px 0.011398 0.036552 -0.001586 -0.011044 -0.022078 -0.023348 27O 1py 0.063742 -0.021242 -0.074227 -0.015083 0.090532 -0.071842 27O 2pz 0.070525 0.022672 -0.032598 0.028379 -0.039127 0.059390 27O 2px -0.228992 -0.353891 0.141005 0.045894 -0.195280 0.106718 27O 2py 0.007570 0.185139 0.034348 0.024782 -0.091620 0.051661 27O 3pz 0.184820 0.090206 -0.202041 0.074804 0.167462 -0.027797 27O 3px 0.077627 0.145453 0.183809 -0.047664 -0.281682 -0.147425 27O 3py -0.088882 -0.176676 0.284456 0.086467 0.046445 -0.091454 27O 1dz2 0.003037 -0.001014 0.004190 0.001484 0.000328 0.002655 27O 1dxz -0.000465 0.004625 -0.001405 0.001710 -0.000202 -0.001778 27O 1dyz 0.001406 -0.010833 0.002772 -0.000711 -0.001720 0.002196 27O 1dx2y2 -0.002529 -0.008234 -0.002810 -0.000997 0.000673 0.003067 27O 1dxy 0.001437 -0.007462 0.004090 -0.000234 0.000281 0.000960 27O 2dz2 0.054387 0.014842 0.119918 0.013899 -0.054732 0.001984 27O 2dxz 0.113374 0.084049 -0.174482 0.058695 -0.030157 0.025948 27O 2dyz -0.022307 -0.020080 0.168518 0.002194 -0.077789 -0.022786 27O 2dx2y2 -0.063641 -0.034071 0.072699 0.014699 0.008143 0.032612 27O 2dxy -0.169642 -0.107088 0.273287 -0.010780 -0.106056 0.044669 27O 1f0 -0.001931 0.003261 -0.004711 -0.001240 -0.000541 0.003287 27O 1f+1 0.005802 0.007988 -0.001393 -0.005132 0.007838 -0.002199 27O 1f-1 -0.002059 -0.004776 -0.000791 0.001586 -0.000639 0.003068 27O 1f+2 -0.004102 0.001336 -0.005653 -0.000907 0.001043 0.000250 27O 1f-2 -0.000142 0.009307 -0.001541 0.002901 -0.001440 0.001543 27O 1f+3 0.000809 -0.007495 -0.002072 -0.002376 0.012390 0.001890 27O 1f-3 0.002068 -0.004501 -0.001355 -0.003097 -0.001957 0.005412 28O 1s -0.000751 0.002804 -0.000474 -0.002104 -0.000092 0.001110 28O 2s -0.003150 0.008325 -0.000675 -0.004475 -0.001262 0.002597 28O 3s 0.013702 -0.030569 -0.019765 0.013468 0.032542 -0.000493 28O 4s 0.011950 -0.066574 -0.037133 0.019722 -0.079233 -0.130440 28O 5s 0.708521 0.190809 2.325922 -1.023071 -0.567564 0.706260 28O 1pz 0.035965 -0.014746 -0.098487 -0.014107 0.001617 0.055812 28O 1px -0.045155 -0.002754 -0.076175 0.092637 -0.003564 -0.008545 28O 1py -0.044658 -0.006959 -0.046903 0.018684 0.122212 -0.124276 28O 2pz -0.270863 0.028169 -0.067146 0.263802 0.099729 -0.145402 28O 2px 0.157209 -0.037862 0.218382 -0.179545 -0.088042 0.021671 28O 2py -0.048881 -0.006288 -0.015971 0.101163 -0.139366 0.095064 28O 3pz 0.345814 -0.179805 0.095750 -0.295803 -0.117882 0.282643 28O 3px -0.051273 0.003216 0.304337 0.138607 -0.192952 0.078938 28O 3py 0.197566 0.038210 0.235847 -0.180666 0.104983 -0.035286 28O 1dz2 0.007000 -0.000194 0.001444 -0.010988 -0.001668 0.002770 28O 1dxz 0.005901 0.000704 -0.002482 -0.004674 -0.000795 0.000762 28O 1dyz 0.008211 0.002133 0.000864 -0.011778 -0.000708 0.004596 28O 1dx2y2 -0.006381 -0.002506 0.001936 0.005532 -0.001050 -0.003562 28O 1dxy 0.001940 -0.001111 -0.000282 -0.001015 -0.000868 0.001287 28O 2dz2 0.118114 0.008079 0.302499 -0.220889 -0.057620 0.049748 28O 2dxz 0.045994 -0.013436 -0.085607 -0.027498 0.001185 0.029365 28O 2dyz 0.168053 0.008300 0.283902 -0.167198 -0.142083 0.159364 28O 2dx2y2 -0.131162 -0.036511 -0.116621 0.167677 -0.020061 -0.053294 28O 2dxy -0.006355 -0.034992 -0.085745 0.057849 0.031901 -0.069079 28O 1f0 -0.002715 -0.000060 0.003581 0.005440 -0.002225 0.001904 28O 1f+1 0.007539 0.001744 0.001618 -0.008044 -0.002130 -0.000615 28O 1f-1 -0.008892 -0.000618 -0.008390 0.016269 0.002990 -0.008390 28O 1f+2 -0.003700 0.003204 -0.001700 -0.001832 0.006772 0.001499 28O 1f-2 0.003590 0.001271 -0.002181 -0.005116 0.003572 0.002882 28O 1f+3 -0.007830 0.003708 -0.004363 0.003631 0.006505 -0.002647 28O 1f-3 -0.001398 -0.003035 0.001297 0.001782 -0.001979 0.000970 29O 1s -0.012026 -0.001443 -0.002179 -0.005744 0.002175 0.005976 29O 2s -0.039837 -0.004034 -0.007257 -0.018608 0.006832 0.018676 29O 3s 0.261154 0.006519 0.047389 0.107177 -0.033117 -0.088186 29O 4s -0.362798 0.028728 -0.064789 -0.107089 0.023853 0.053525 29O 5s -0.239965 0.060156 -0.042275 -0.058681 -0.037628 -0.106963 29O 1pz -0.110569 0.023500 -0.079576 -0.030720 0.096941 -0.099651 29O 1px 0.059920 -0.038139 -0.019713 0.065870 0.034538 -0.099885 29O 1py 0.001625 -0.039280 0.009392 -0.015405 0.004455 0.050202 29O 2pz 0.265117 -0.035712 0.300152 0.065924 -0.143843 0.025870 29O 2px -0.134133 0.087449 0.083790 -0.093970 -0.063947 0.065301 29O 2py 0.067819 0.012237 -0.016723 0.014336 0.010842 -0.012713 29O 3pz -0.012984 -0.021660 -0.022601 0.069334 0.125960 -0.167975 29O 3px 0.003320 -0.093052 -0.024580 0.116410 0.044415 -0.089349 29O 3py 0.334967 0.045366 0.065404 0.126446 -0.028792 -0.038708 29O 1dz2 0.002294 -0.001777 0.004246 0.000570 0.000238 -0.001905 29O 1dxz 0.001150 -0.000384 -0.002180 -0.002518 -0.000054 0.003763 29O 1dyz 0.002777 0.001049 0.007946 0.001228 -0.002352 -0.002537 29O 1dx2y2 -0.003527 0.001631 -0.000190 -0.001013 -0.000889 -0.000151 29O 1dxy 0.000017 -0.000070 0.003631 -0.000847 -0.001263 -0.001797 29O 2dz2 0.281848 0.000766 0.042393 0.086368 -0.035189 -0.045352 29O 2dxz 0.182437 0.000971 0.056780 0.050633 -0.000091 -0.109373 29O 2dyz -0.100154 0.013868 -0.038634 -0.032223 -0.039331 0.101410 29O 2dx2y2 0.027081 0.050151 0.025918 -0.013589 -0.009243 -0.031375 29O 2dxy 0.131663 -0.026034 0.024442 -0.011673 -0.008075 0.041177 29O 1f0 0.011900 -0.001330 0.001512 0.002408 0.000669 0.000747 29O 1f+1 -0.003697 -0.000611 0.000988 0.000351 0.000060 -0.001994 29O 1f-1 0.018593 -0.002626 0.008232 0.004235 -0.000639 -0.002126 29O 1f+2 -0.000996 0.000909 -0.003811 -0.000578 0.000502 0.000441 29O 1f-2 0.005372 -0.002292 -0.005808 0.003885 0.001053 0.003079 29O 1f+3 0.009097 -0.000108 0.003955 0.003827 -0.000762 -0.003952 29O 1f-3 0.003036 0.001446 0.003311 0.000368 -0.000087 -0.002637 30O 1s -0.002816 0.002178 0.000366 0.002851 -0.001076 0.000625 30O 2s -0.010253 0.005344 -0.000361 0.009355 -0.003213 0.002593 30O 3s 0.076984 -0.028918 0.036849 -0.053686 0.010147 -0.016578 30O 4s -0.158524 0.062132 -0.052518 0.070661 -0.097987 0.043107 30O 5s 0.593755 1.008885 -2.102495 0.167906 0.664083 -0.340665 30O 1pz -0.064693 -0.002013 -0.000274 0.033112 -0.103751 0.046689 30O 1px -0.099344 -0.084003 0.045337 0.035444 -0.068923 0.053427 30O 1py 0.002073 -0.015863 -0.098831 0.015077 0.014261 0.047824 30O 2pz 0.012173 -0.175876 0.124636 -0.041963 0.097567 0.010721 30O 2px 0.080380 0.149473 -0.175415 -0.036215 0.113429 -0.085467 30O 2py 0.109253 0.256272 -0.007491 -0.014118 0.022499 -0.105252 30O 3pz 0.256276 0.257306 -0.009291 0.083776 -0.081022 -0.159531 30O 3px -0.180827 -0.009766 -0.430278 0.142775 -0.031965 -0.011456 30O 3py -0.408622 -0.267532 0.045301 0.116764 -0.137831 0.216347 30O 1dz2 -0.000078 -0.001800 0.000390 0.001373 -0.002652 -0.001507 30O 1dxz 0.005011 0.005140 0.003703 -0.000552 -0.001534 -0.002703 30O 1dyz -0.003586 -0.009408 0.000074 -0.001483 -0.000509 0.004645 30O 1dx2y2 -0.007684 -0.010148 -0.002629 0.000403 0.000731 0.000062 30O 1dxy -0.002084 -0.006090 -0.003066 -0.000926 -0.000317 0.000613 30O 2dz2 0.061524 0.043754 -0.006651 0.005167 0.017011 -0.048076 30O 2dxz 0.140764 0.088341 0.027699 -0.006277 -0.018020 -0.020364 30O 2dyz -0.139952 -0.168180 0.269299 0.002198 -0.159868 0.080627 30O 2dx2y2 -0.260847 -0.244291 0.224529 0.027184 -0.094935 0.026451 30O 2dxy -0.068722 -0.020433 -0.037112 0.022275 -0.071813 0.066301 30O 1f0 0.004866 0.013157 -0.006286 -0.001085 0.006891 -0.004093 30O 1f+1 -0.001245 -0.000645 -0.001835 -0.003805 0.003927 -0.002184 30O 1f-1 -0.001492 0.005872 -0.001487 0.000082 -0.002578 -0.006866 30O 1f+2 0.002405 0.010701 -0.001066 0.002351 -0.002764 -0.002169 30O 1f-2 0.005267 -0.003572 0.001081 0.001302 -0.001305 0.001208 30O 1f+3 -0.001676 0.000378 0.004009 0.000472 -0.000289 0.004374 30O 1f-3 0.006875 0.006057 0.005732 -0.000656 -0.006356 0.002361 31O 1s -0.002686 -0.002190 0.000329 -0.002849 -0.001301 -0.000366 31O 2s -0.009808 -0.005208 -0.000306 -0.009426 -0.004091 -0.001812 31O 3s 0.074214 0.024252 0.035697 0.055947 0.016148 0.014299 31O 4s -0.155307 -0.049810 -0.050875 -0.073723 -0.109596 -0.022830 31O 5s 0.619665 -0.833916 -2.164706 -0.252550 0.700102 0.186798 31O 1pz 0.064052 -0.001193 -0.001035 0.030117 0.113480 0.023312 31O 1px 0.097156 -0.081165 -0.054163 0.032314 0.079897 0.036540 31O 1py -0.001994 -0.023200 0.096603 0.017646 -0.003471 0.051130 31O 2pz -0.011266 -0.165125 -0.137235 -0.044781 -0.097885 0.030127 31O 2px -0.079367 0.133576 0.187562 -0.026798 -0.128333 -0.056154 31O 2py -0.108818 0.253317 0.029919 -0.010977 -0.042715 -0.098537 31O 3pz -0.237582 0.257481 0.037925 0.088374 0.051382 -0.176167 31O 3px 0.162235 -0.050452 0.414031 0.157294 0.040028 -0.016784 31O 3py 0.394948 -0.265669 -0.080907 0.109101 0.179037 0.183515 31O 1dz2 -0.000072 0.001750 0.000597 -0.001254 -0.002311 0.001959 31O 1dxz 0.004956 -0.005462 0.003161 0.000676 -0.000925 0.002941 31O 1dyz -0.003396 0.009447 0.000888 0.001514 -0.001409 -0.004404 31O 1dx2y2 -0.007615 0.010470 -0.001649 -0.000534 0.000710 -0.000217 31O 1dxy -0.002030 0.006397 -0.002505 0.000816 -0.000385 -0.000505 31O 2dz2 0.061730 -0.043205 -0.009890 -0.005494 0.027027 0.042743 31O 2dxz 0.135907 -0.091818 0.017237 0.006641 -0.013094 0.024586 31O 2dyz -0.136855 0.146131 0.283497 0.011364 -0.172723 -0.043297 31O 2dx2y2 -0.257248 0.227828 0.248180 -0.018448 -0.100254 -0.005976 31O 2dxy -0.065360 0.025518 -0.033340 -0.021699 -0.083909 -0.048650 31O 1f0 -0.004730 0.012612 0.007470 -0.000533 -0.007394 -0.002442 31O 1f+1 0.001361 -0.000783 0.001906 -0.003535 -0.004419 -0.001310 31O 1f-1 0.001501 0.005761 0.002037 0.000112 0.001109 -0.007200 31O 1f+2 -0.002270 0.010633 0.002014 0.002335 0.002313 -0.002786 31O 1f-2 -0.005254 -0.003391 -0.001340 0.001147 0.001590 0.000809 31O 1f+3 0.001801 0.000624 -0.003986 0.000328 0.001064 0.004155 31O 1f-3 -0.006791 0.006504 -0.005043 -0.000979 0.006649 0.000753 32O 1s -0.012469 0.001474 -0.002615 0.005744 0.001341 -0.006265 32O 2s -0.041331 0.004222 -0.008854 0.018570 0.004294 -0.019620 32O 3s 0.271187 -0.009942 0.061164 -0.105851 -0.022853 0.093774 32O 4s -0.379557 -0.019814 -0.092560 0.103675 0.022725 -0.060967 32O 5s -0.237015 -0.045660 -0.052380 0.048030 -0.017412 0.110902 32O 1pz 0.113744 0.018592 0.083368 -0.025224 -0.111336 -0.084110 32O 1px -0.062771 -0.040758 0.013244 0.067958 -0.046903 -0.091378 32O 1py 0.001424 -0.036293 -0.013087 -0.017391 0.002999 0.047256 32O 2pz -0.265717 -0.007407 -0.305129 0.047647 0.148857 -0.006010 32O 2px 0.141708 0.094125 -0.066024 -0.098387 0.068473 0.050075 32O 2py -0.077157 0.012097 0.007860 0.015895 -0.010266 -0.010815 32O 3pz 0.021620 -0.019401 0.017679 0.070858 -0.147284 -0.146121 32O 3px 0.004794 -0.097232 0.021176 0.117564 -0.054970 -0.079015 32O 3py -0.343982 0.056378 -0.079441 0.120194 0.023959 -0.048705 32O 1dz2 0.002131 0.001296 0.004256 -0.000285 0.000482 0.001874 32O 1dxz 0.001137 0.000552 -0.002259 0.002461 -0.000609 -0.003874 32O 1dyz 0.002740 -0.001773 0.007883 -0.000762 -0.001978 0.003220 32O 1dx2y2 -0.003530 -0.001550 -0.000389 0.001004 -0.000805 0.000167 32O 1dxy -0.000004 -0.000195 0.003478 0.001056 -0.000962 0.002005 32O 2dz2 0.298693 -0.005722 0.058685 -0.085458 -0.027778 0.053795 32O 2dxz 0.183758 -0.008250 0.062745 -0.047367 0.016346 0.110548 32O 2dyz -0.088462 -0.009269 -0.041594 0.026920 -0.053486 -0.092125 32O 2dx2y2 0.030438 -0.053087 0.026940 0.013517 -0.003080 0.035750 32O 2dxy 0.142856 0.020202 0.035285 0.012596 -0.014835 -0.036326 32O 1f0 -0.011317 -0.000876 -0.001805 0.001997 -0.000371 0.000825 32O 1f+1 0.004444 -0.000431 -0.000871 0.000179 -0.000389 -0.002116 32O 1f-1 -0.019647 -0.001544 -0.009253 0.003723 0.000630 -0.002577 32O 1f+2 0.001711 0.000597 0.004176 -0.000578 -0.000514 0.000710 32O 1f-2 -0.005284 -0.002697 0.005072 0.003980 -0.000488 0.003544 32O 1f+3 -0.009334 0.000173 -0.003767 0.003723 0.000145 -0.003928 32O 1f-3 -0.003261 0.001789 -0.003225 0.000282 -0.000292 -0.002775 33O 1s -0.000764 -0.002749 -0.000820 0.002059 -0.000310 -0.001074 33O 2s -0.003234 -0.008232 -0.001672 0.004346 -0.001832 -0.002283 33O 3s 0.014455 0.032389 -0.015702 -0.013604 0.033394 -0.006725 33O 4s 0.009218 0.067992 -0.032449 -0.025630 -0.060557 0.145134 33O 5s 0.717515 -0.398248 2.271490 1.132247 -0.661760 -0.564520 33O 1pz -0.035317 -0.024087 0.097330 -0.008816 0.011310 0.056034 33O 1px 0.048348 -0.010283 0.074085 0.097800 0.006361 -0.007864 33O 1py 0.045764 -0.009167 0.047791 0.022385 -0.144988 -0.095663 33O 2pz 0.270894 0.021389 0.061230 0.267380 -0.123498 -0.121185 33O 2px -0.160402 -0.016552 -0.216299 -0.192266 0.084468 -0.000343 33O 2py 0.048836 -0.010490 0.010047 0.100657 0.158727 0.063946 33O 3pz -0.335500 -0.172522 -0.095063 -0.303134 0.160852 0.254007 33O 3px 0.052693 0.030870 -0.307940 0.124347 0.210689 0.035959 33O 3py -0.188457 0.061198 -0.220371 -0.185126 -0.118465 -0.016761 33O 1dz2 0.007137 0.000146 0.001157 0.011101 -0.001898 -0.002346 33O 1dxz 0.005877 -0.000534 -0.002668 0.004675 -0.000798 -0.000539 33O 1dyz 0.008304 -0.002249 0.000312 0.012011 -0.001334 -0.004410 33O 1dx2y2 -0.006368 0.002403 0.002346 -0.005537 -0.000441 0.003695 33O 1dxy 0.001928 0.001137 -0.000202 0.000993 -0.001095 -0.001014 33O 2dz2 0.123280 -0.034705 0.294141 0.235592 -0.058913 -0.035405 33O 2dxz 0.046204 0.020840 -0.085453 0.026030 -0.002704 -0.029336 33O 2dyz 0.169654 -0.032986 0.278257 0.184086 -0.165349 -0.125576 33O 2dx2y2 -0.132698 0.047378 -0.109211 -0.172881 -0.013120 0.056073 33O 2dxy -0.009798 0.041808 -0.081799 -0.062299 0.045233 0.062955 33O 1f0 0.002564 0.000310 -0.003702 0.005070 0.002628 0.001274 33O 1f+1 -0.007627 0.001915 -0.001284 -0.008190 0.001766 -0.001079 33O 1f-1 0.009171 -0.001399 0.007860 0.016788 -0.004153 -0.007482 33O 1f+2 0.003806 0.002937 0.002006 -0.001488 -0.006276 0.003001 33O 1f-2 -0.003777 0.001107 0.002427 -0.005045 -0.002891 0.003655 33O 1f+3 0.007625 0.003325 0.004644 0.003914 -0.006777 -0.001047 33O 1f-3 0.001396 -0.002948 -0.001640 0.001684 0.002184 0.000491 34O 1s -0.005278 -0.000258 -0.001385 -0.001886 -0.000327 -0.001684 34O 2s -0.015157 -0.000508 -0.004303 -0.005562 0.001052 -0.006226 34O 3s 0.048246 0.036330 0.036453 0.018389 -0.059753 0.036440 34O 4s 0.186263 -0.415410 0.023300 0.069781 0.296997 0.043075 34O 5s 0.940688 -0.313739 -2.038069 -0.257986 0.664075 -0.324174 34O 1pz 0.076755 -0.049660 -0.041936 -0.046097 -0.064962 -0.046709 34O 1px -0.010045 0.035929 0.005366 -0.012063 0.015624 -0.027722 34O 1py -0.064401 -0.026342 0.072525 -0.012321 -0.103026 -0.048914 34O 2pz -0.070468 0.020531 0.034869 0.031190 0.051739 0.047666 34O 2px 0.216657 -0.342729 -0.175242 0.035288 0.216038 0.061872 34O 2py -0.003606 0.185757 -0.018019 0.024167 0.100181 0.027943 34O 3pz -0.182619 0.072383 0.204182 0.084057 -0.168044 0.007879 34O 3px -0.083078 0.155791 -0.171878 -0.059488 0.247958 -0.211027 34O 3py 0.092737 -0.150432 -0.299103 0.074684 -0.060179 -0.072918 34O 1dz2 0.002976 0.000661 0.004289 -0.001319 -0.000287 -0.002610 34O 1dxz -0.000483 -0.004484 -0.001758 -0.001676 0.000110 0.001784 34O 1dyz 0.001543 0.010557 0.003757 0.000847 -0.002090 -0.001709 34O 1dx2y2 -0.002489 0.008448 -0.002055 0.000873 0.000027 -0.003265 34O 1dxy 0.001445 0.007039 0.004727 0.000377 0.000049 -0.001043 34O 2dz2 0.052611 -0.024057 0.117642 -0.008240 -0.054640 0.011521 34O 2dxz 0.113491 -0.069668 -0.180012 -0.063282 -0.036833 -0.017359 34O 2dyz -0.021993 0.005489 0.169259 0.005706 -0.071537 0.039835 34O 2dx2y2 -0.065396 0.027048 0.075740 -0.013401 0.000507 -0.034079 34O 2dxy -0.170483 0.084019 0.280960 0.021768 -0.112144 -0.018831 34O 1f0 0.001977 0.002744 0.004939 -0.001076 0.001158 0.003048 34O 1f+1 -0.005370 0.007811 0.002338 -0.004704 -0.008285 -0.000481 34O 1f-1 0.002083 -0.004868 0.000336 0.001498 0.001257 0.002895 34O 1f+2 0.004365 0.000706 0.005811 -0.000686 -0.001145 0.000532 34O 1f-2 0.000265 0.009103 0.002243 0.002860 0.001727 0.001082 34O 1f+3 -0.000642 -0.007531 0.001461 -0.002075 -0.011865 0.004737 34O 1f-3 -0.002209 -0.004655 0.001027 -0.003160 0.002862 0.004746 35O 1s -0.005466 -0.002904 -0.000706 0.000072 0.001513 0.000821 35O 2s -0.014278 -0.009303 -0.001753 -0.000266 0.003210 0.002536 35O 3s -0.000150 0.051622 -0.017506 -0.036477 0.020538 0.002088 35O 4s 0.513439 -0.053543 0.049133 0.452732 -0.152175 -0.204099 35O 5s 0.334319 -0.423868 2.265549 0.490461 -0.650183 0.056527 35O 1pz 0.046464 0.029036 0.090816 -0.008768 -0.121368 -0.084090 35O 1px -0.021226 -0.016032 -0.015464 -0.061676 -0.068630 -0.054523 35O 1py 0.008724 -0.011790 0.034612 0.038916 0.104389 0.130334 35O 2pz -0.007681 -0.045023 -0.056940 0.134804 0.168294 0.065467 35O 2px 0.346546 -0.006504 0.244850 0.387543 -0.049221 -0.039366 35O 2py 0.137343 -0.006070 0.081260 0.146644 -0.181320 -0.200455 35O 3pz 0.103404 0.047973 -0.335927 -0.185828 -0.151285 -0.123009 35O 3px 0.209661 -0.227950 0.290988 -0.071797 -0.231925 -0.064911 35O 3py 0.032875 0.039130 -0.095838 -0.117671 0.099613 0.026370 35O 1dz2 0.000541 -0.001225 -0.000306 0.008400 0.001507 -0.004519 35O 1dxz -0.003083 0.000019 0.001949 0.004081 0.003317 -0.000515 35O 1dyz 0.001325 -0.002096 0.004321 0.014713 -0.000477 -0.003153 35O 1dx2y2 -0.001255 0.000527 0.001079 -0.005082 -0.001538 0.001783 35O 1dxy -0.003576 -0.001431 0.004341 0.001868 -0.001203 -0.000743 35O 2dz2 -0.042488 0.019079 0.075799 -0.002601 -0.014811 0.009973 35O 2dxz 0.058268 -0.001221 0.230746 0.082060 -0.087032 -0.069272 35O 2dyz 0.056579 -0.011470 0.270571 0.054942 -0.121346 0.033582 35O 2dx2y2 0.010088 0.001398 -0.079630 -0.060279 -0.064752 -0.071098 35O 2dxy 0.010722 -0.045613 0.188341 0.044163 -0.013547 0.057751 35O 1f0 -0.004309 0.002524 0.001894 -0.003920 -0.000481 0.002366 35O 1f+1 -0.001656 -0.000696 -0.003778 0.005797 0.009692 -0.003668 35O 1f-1 -0.010477 -0.000773 0.003142 0.003184 0.004072 0.001071 35O 1f+2 0.004207 0.001938 -0.002063 -0.002317 -0.000380 -0.002129 35O 1f-2 0.004237 -0.002643 0.000477 0.012185 0.003142 -0.003966 35O 1f+3 -0.004287 0.000861 -0.001779 0.001683 0.000097 0.001355 35O 1f-3 -0.012829 -0.003869 -0.005675 -0.007952 0.008288 0.000545 444 445 446 447 448 449 2.55590 2.56039 2.56045 2.58506 2.59916 2.60506 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s -0.000740 -0.000527 0.001982 -0.002653 0.002673 0.001349 0Rh 2s 0.003767 0.003738 -0.011704 0.011596 -0.015947 -0.008448 0Rh 3s -0.002079 -0.000838 0.004588 -0.008616 0.006091 0.002834 0Rh 4s -0.019439 -0.019345 0.060530 -0.059882 0.082642 0.043816 0Rh 5s 0.029917 0.036476 -0.104186 0.080700 -0.143374 -0.078173 0Rh 6s 0.007677 -0.023892 0.029950 0.078960 0.042733 0.031801 0Rh 7s -0.034733 0.040619 -0.047036 -0.480041 -0.025667 -0.073354 0Rh 8s -0.093456 0.153864 -0.259190 0.111554 0.494414 0.112692 0Rh 1pz 0.003577 0.001526 -0.001622 0.001249 -0.002127 0.000857 0Rh 1px 0.001756 0.000305 -0.003858 0.000469 -0.006225 -0.001819 0Rh 1py -0.004146 0.004423 0.003200 -0.000013 -0.000833 0.002394 0Rh 2pz -0.012985 -0.005568 0.006029 -0.004023 0.007902 -0.003050 0Rh 2px -0.006470 -0.001005 0.013930 -0.002375 0.022392 0.006593 0Rh 2py 0.014953 -0.016106 -0.011732 -0.000102 0.002870 -0.008753 0Rh 3pz 0.015604 0.006945 -0.010259 -0.005581 -0.013175 0.001650 0Rh 3px 0.009532 -0.001036 -0.014637 0.016412 -0.021217 -0.007444 0Rh 3py -0.014942 0.020000 0.016197 0.003270 -0.000048 0.011589 0Rh 4pz 0.024924 0.012101 0.001738 0.049519 0.000609 0.019625 0Rh 4px 0.006730 0.011763 -0.038879 -0.048686 -0.076361 -0.015981 0Rh 4py -0.048365 0.031120 0.015680 -0.012937 -0.021196 0.013025 0Rh 5pz -0.031651 -0.029009 -0.013305 -0.084334 -0.016186 -0.064021 0Rh 5px -0.014419 -0.020269 0.068473 0.073216 0.177614 0.029436 0Rh 5py 0.112762 -0.055079 -0.028095 0.024716 0.045883 -0.015438 0Rh 6pz -0.395997 0.027975 0.160502 0.268429 0.234364 0.354573 0Rh 6px -0.096914 -0.053739 0.326631 0.087584 -0.982608 -0.030667 0Rh 6py -0.206928 -0.301016 -0.040591 -0.044240 -0.206859 -0.234831 0Rh 1dz2 -0.005393 -0.006193 -0.000615 -0.001290 -0.004080 -0.002902 0Rh 1dxz 0.003994 0.001985 -0.001111 -0.006233 -0.013456 -0.007349 0Rh 1dyz -0.005444 -0.013398 -0.010470 -0.002450 -0.002504 -0.003566 0Rh 1dx2y2 0.000575 -0.000211 -0.009034 0.002123 0.007336 0.000268 0Rh 1dxy 0.001469 -0.002245 -0.005394 0.003281 0.002431 0.001334 0Rh 2dz2 -0.001002 -0.002729 -0.002222 0.000823 -0.001574 0.000630 0Rh 2dxz 0.000492 0.001306 -0.002515 0.002234 -0.002582 -0.002543 0Rh 2dyz -0.003973 -0.007716 -0.002371 -0.000490 -0.000116 0.000808 0Rh 2dx2y2 -0.001684 -0.001735 0.003324 -0.003086 0.003156 0.001285 0Rh 2dxy -0.001603 -0.004427 0.000270 -0.001680 0.001558 0.001349 0Rh 3dz2 0.019895 0.029966 0.011900 -0.000169 0.018719 0.005612 0Rh 3dxz -0.013624 -0.011602 0.014682 0.007719 0.050140 0.032478 0Rh 3dyz 0.033458 0.073101 0.040291 0.009300 0.007547 0.006546 0Rh 3dx2y2 0.005951 0.008606 0.010430 0.008089 -0.035238 -0.006631 0Rh 3dxy 0.003133 0.026309 0.013874 -0.001721 -0.014028 -0.009941 0Rh 4dz2 -0.017235 -0.042979 -0.035675 0.014009 -0.023597 0.006451 0Rh 4dxz 0.009138 0.021320 -0.041209 0.031523 -0.040609 -0.039499 0Rh 4dyz -0.062026 -0.122146 -0.035179 -0.009686 0.000182 0.010737 0Rh 4dx2y2 -0.024853 -0.029127 0.052266 -0.048724 0.048816 0.019940 0Rh 4dxy -0.024771 -0.066478 0.006908 -0.025588 0.024548 0.020709 0Rh 5dz2 0.026067 0.093906 0.122626 -0.064349 0.007077 -0.041183 0Rh 5dxz -0.005536 -0.067851 0.159544 -0.142762 -0.030349 0.062813 0Rh 5dyz 0.171732 0.323666 -0.001172 0.028420 -0.053362 -0.060053 0Rh 5dx2y2 0.079295 0.120550 -0.278054 0.188290 -0.035857 -0.042922 0Rh 5dxy 0.094256 0.198558 -0.105176 0.118993 -0.047746 -0.053496 0Rh 1f0 0.021258 -0.021579 -0.006869 0.001591 -0.014467 -0.042259 0Rh 1f+1 -0.004472 -0.015082 0.005655 -0.021465 0.040693 -0.046429 0Rh 1f-1 -0.034160 -0.015846 0.009565 -0.015196 0.038394 -0.016199 0Rh 1f+2 0.036994 0.024324 -0.110403 0.024220 -0.058487 -0.004005 0Rh 1f-2 -0.007985 -0.042730 -0.041232 -0.010157 0.005173 -0.034039 0Rh 1f+3 -0.024460 0.023833 0.004475 -0.012468 0.035153 0.013260 0Rh 1f-3 0.019780 0.024424 -0.037774 0.006061 0.006376 -0.015176 1Rh 1s -0.000663 0.001003 -0.001873 -0.002687 -0.002652 -0.001338 1Rh 2s 0.003305 -0.005425 0.011439 0.011805 0.015809 0.008532 1Rh 3s -0.001906 0.002626 -0.004102 -0.008695 -0.006050 -0.002714 1Rh 4s -0.017048 0.028047 -0.059163 -0.060964 -0.081933 -0.044247 1Rh 5s 0.025769 -0.045747 0.103692 0.082603 0.142133 0.079593 1Rh 6s 0.008993 0.002510 -0.037422 0.078243 -0.042415 -0.034853 1Rh 7s -0.036308 -0.000741 0.054648 -0.478074 0.029680 0.070560 1Rh 8s -0.100024 -0.064557 0.289718 0.115391 -0.503251 -0.088341 1Rh 1pz -0.003499 0.000189 -0.002708 -0.001358 -0.002348 0.000955 1Rh 1px -0.001583 0.002506 -0.003194 -0.000545 -0.006231 -0.001967 1Rh 1py 0.003876 -0.005475 -0.000405 0.000030 -0.000860 0.002387 1Rh 2pz 0.012694 -0.000764 0.009952 0.004420 0.008703 -0.003405 1Rh 2px 0.005843 -0.009126 0.011485 0.002648 0.022411 0.007129 1Rh 2py -0.013964 0.019982 0.001429 0.000040 0.002971 -0.008741 1Rh 3pz -0.015088 0.002844 -0.014263 0.005123 -0.014087 0.002027 1Rh 3px -0.008847 0.011262 -0.011027 -0.016699 -0.021206 -0.008009 1Rh 3py 0.013630 -0.025711 -0.000826 -0.003218 -0.000200 0.011901 1Rh 4pz -0.025019 -0.008811 -0.010749 -0.050414 -0.001263 0.020701 1Rh 4px -0.005093 0.018337 -0.036548 0.047919 -0.076489 -0.017478 1Rh 4py 0.046818 -0.034901 -0.006531 0.013208 -0.021236 0.011609 1Rh 5pz 0.031996 0.028383 0.015764 0.085861 -0.012906 -0.066719 1Rh 5px 0.011478 -0.032714 0.064144 -0.071860 0.177725 0.031417 1Rh 5py -0.110154 0.063192 0.009416 -0.025583 0.045710 -0.012293 1Rh 6pz 0.386691 -0.140856 0.138696 -0.264777 0.235308 0.358829 1Rh 6px 0.084343 -0.189146 0.286982 -0.081297 -0.984120 -0.012221 1Rh 6py 0.216158 0.227001 0.185750 0.057790 -0.197020 -0.284371 1Rh 1dz2 -0.005727 -0.004665 -0.004233 -0.001509 0.004042 0.002657 1Rh 1dxz 0.003870 0.000591 0.002547 -0.006250 0.013402 0.008062 1Rh 1dyz -0.006170 -0.016809 -0.002030 -0.002515 0.002276 0.004048 1Rh 1dx2y2 -0.000023 -0.006328 0.006510 0.002133 -0.007318 -0.000368 1Rh 1dxy 0.001245 -0.005414 0.002356 0.003363 -0.002345 -0.002107 1Rh 2dz2 -0.000958 -0.003503 -0.000276 0.000836 0.001513 -0.000577 1Rh 2dxz 0.000392 -0.000790 0.002737 0.002284 0.002560 0.002724 1Rh 2dyz -0.003765 -0.007158 -0.003765 -0.000502 0.000072 -0.000664 1Rh 2dx2y2 -0.001512 0.001096 -0.003726 -0.003159 -0.003182 -0.001044 1Rh 2dxy -0.001446 -0.002983 -0.003329 -0.001700 -0.001570 -0.001287 1Rh 3dz2 0.020643 0.029189 0.013225 0.000393 -0.018348 -0.005133 1Rh 3dxz -0.012811 0.001963 -0.019769 0.007540 -0.049894 -0.035307 1Rh 3dyz 0.034539 0.080110 0.023015 0.009541 -0.006695 -0.008608 1Rh 3dx2y2 0.006864 0.013001 -0.001392 0.008394 0.035304 0.005845 1Rh 3dxy 0.003043 0.028651 0.008467 -0.001859 0.013839 0.011876 1Rh 4dz2 -0.016622 -0.055567 -0.003987 0.014227 0.022838 -0.005993 1Rh 4dxz 0.007396 -0.013069 0.044967 0.032340 0.040336 0.041889 1Rh 4dyz -0.058414 -0.111700 -0.061196 -0.009842 -0.000973 -0.007932 1Rh 4dx2y2 -0.022187 0.015845 -0.059672 -0.049936 -0.049165 -0.016535 1Rh 4dxy -0.022145 -0.042845 -0.052090 -0.025898 -0.024694 -0.019951 1Rh 5dz2 0.020708 0.153498 -0.026167 -0.067426 -0.005942 0.039613 1Rh 5dxz 0.001395 0.060965 -0.161767 -0.146392 0.030069 -0.061427 1Rh 5dyz 0.147414 0.230701 0.228437 0.027700 0.054403 0.051278 1Rh 5dx2y2 0.064102 -0.106860 0.290057 0.193514 0.036964 0.031465 1Rh 5dxy 0.080376 0.069124 0.216805 0.120648 0.048640 0.044232 1Rh 1f0 -0.018464 0.020455 0.007763 -0.000707 -0.014910 -0.041701 1Rh 1f+1 0.003263 0.006863 0.014759 0.021760 0.041396 -0.051752 1Rh 1f-1 0.037064 0.001997 0.022014 0.016884 0.040266 -0.016378 1Rh 1f+2 -0.030918 0.059764 -0.101177 -0.026208 -0.059687 -0.002293 1Rh 1f-2 0.009882 0.057831 -0.000834 0.010326 0.005555 -0.036150 1Rh 1f+3 0.023007 -0.020402 -0.010248 0.012035 0.036305 0.010568 1Rh 1f-3 -0.015323 0.007775 -0.045258 -0.006215 0.006136 -0.012958 2C 1s -0.000806 -0.003889 -0.001195 0.001556 0.000350 -0.000576 2C 2s -0.001232 -0.011369 -0.001570 0.005633 0.003248 -0.001203 2C 3s 0.136578 0.411461 0.155468 -0.067590 0.019072 -0.090546 2C 4s -0.706708 -1.793329 -0.821437 0.031610 -0.283945 0.600794 2C 5s -0.686229 -0.988002 -0.766190 -0.040249 -0.177566 -0.132390 2C 1pz -0.013701 0.126085 0.004470 -0.021770 0.032929 0.002575 2C 1px 0.070921 0.120762 0.098300 -0.114633 -0.043000 -0.021748 2C 1py 0.126467 0.073824 0.118430 0.000715 0.002641 -0.036711 2C 2pz -0.909116 -0.867011 -0.741871 0.173779 0.352785 0.514968 2C 2px 0.003414 0.823163 -0.188895 -1.214812 -1.489409 -0.462054 2C 2py 0.590149 -0.715630 0.340886 0.130906 -0.236710 -0.036661 2C 3pz -0.049190 -0.327904 -0.076045 -0.019745 -0.031120 0.040927 2C 3px -0.058096 -0.139304 -0.071999 0.083975 0.152771 -0.008735 2C 3py -0.244482 -0.158579 -0.236700 -0.078203 -0.045327 0.019271 2C 1dz2 -0.082186 -0.039127 -0.077052 0.007720 0.005506 0.017376 2C 1dxz -0.028246 0.097326 -0.036196 -0.101987 -0.127330 -0.044712 2C 1dyz -0.018177 -0.103206 -0.026105 0.063679 0.038624 0.034874 2C 1dx2y2 -0.066659 -0.010103 -0.032185 0.054305 0.082446 0.029246 2C 1dxy 0.077036 0.016361 0.042710 -0.021286 -0.072445 -0.048031 2C 2dz2 0.480829 -0.090831 0.423906 -0.048266 -0.060452 -0.007314 2C 2dxz -0.025928 -0.688871 -0.095332 0.642024 0.520085 0.216350 2C 2dyz -0.192892 0.092740 -0.182081 -0.322627 -0.323623 -0.057916 2C 2dx2y2 0.430923 0.143279 0.241879 -0.133672 -0.442262 -0.351787 2C 2dxy -0.549644 -0.212681 -0.468284 0.228304 0.228037 0.148377 2C 1f0 0.104190 0.019407 0.087609 -0.054874 -0.082509 -0.053400 2C 1f+1 -0.059425 0.058561 -0.043020 -0.051461 -0.026291 0.010871 2C 1f-1 -0.070731 -0.079186 -0.057366 0.040556 0.041688 0.036793 2C 1f+2 -0.007629 -0.015466 0.011642 0.088259 0.081997 0.007222 2C 1f-2 0.019593 -0.074652 -0.008187 0.067943 0.007339 0.003581 2C 1f+3 0.102079 0.005049 0.086710 0.019607 -0.004006 -0.026921 2C 1f-3 0.022749 0.085375 0.021156 -0.107890 -0.071784 -0.012324 3C 1s 0.002357 0.003635 0.000676 0.002657 -0.000059 0.001248 3C 2s 0.006726 0.009146 0.002796 0.008620 0.001504 0.004211 3C 3s -0.177705 -0.408462 -0.053034 -0.161738 0.054207 0.023826 3C 4s 0.692750 1.941878 0.069491 0.419654 -0.424596 -0.350052 3C 5s 0.424797 1.318887 0.477590 0.244009 0.053689 0.092616 3C 1pz 0.028936 -0.056749 0.032085 0.044059 0.025384 0.014021 3C 1px 0.058708 -0.249329 0.094154 -0.113887 -0.047153 0.043532 3C 1py 0.124692 0.090974 0.085701 0.072575 -0.030303 0.001842 3C 2pz 0.859056 0.561431 0.555678 0.817119 0.414816 0.110970 3C 2px 0.691515 -0.652985 0.248035 -0.873044 -1.612019 -0.244254 3C 2py 0.353688 -1.277465 0.405104 -0.095719 -0.182080 0.279690 3C 3pz -0.051223 0.204269 0.000654 -0.077866 -0.060869 -0.040786 3C 3px -0.008610 0.328377 -0.093886 0.105936 0.031592 0.054525 3C 3py -0.236799 -0.269779 -0.218957 -0.085667 -0.035139 -0.038699 3C 1dz2 0.001478 0.010946 0.011775 0.011366 0.051360 0.004254 3C 1dxz 0.102057 -0.112743 0.062067 -0.073730 -0.158420 -0.003072 3C 1dyz -0.064268 -0.109274 -0.030186 -0.104375 -0.060890 -0.013084 3C 1dx2y2 0.081657 -0.093547 0.062000 0.007349 0.001861 0.014005 3C 1dxy -0.013778 0.012826 0.008744 0.031154 0.056654 0.013281 3C 2dz2 -0.112895 -0.226757 -0.080613 -0.260947 -0.145988 0.005969 3C 2dxz -0.563881 0.876241 -0.436071 0.358509 0.736292 -0.096221 3C 2dyz 0.192215 0.189465 0.126361 0.496805 0.410974 0.098910 3C 2dx2y2 -0.642316 0.411902 -0.541428 -0.029871 0.006467 -0.075737 3C 2dxy 0.024773 -0.717793 0.208738 -0.390016 -0.092879 0.071135 3C 1f0 -0.102839 0.034438 -0.078860 -0.055237 0.006162 -0.021212 3C 1f+1 0.023077 -0.109287 0.026574 -0.104890 -0.091393 -0.002110 3C 1f-1 0.075958 -0.041892 0.064417 0.044592 -0.030687 0.017895 3C 1f+2 -0.010526 -0.125210 0.019219 -0.039154 -0.003731 0.010227 3C 1f-2 -0.038994 0.016228 -0.021475 0.036157 0.062256 0.013989 3C 1f+3 -0.104300 0.112826 -0.088700 0.015519 0.063718 -0.029221 3C 1f-3 -0.011092 0.114963 -0.014805 0.119367 0.116184 -0.012879 4C 1s -0.000668 0.002175 -0.001547 -0.001351 -0.001304 -0.001166 4C 2s 0.001028 0.014660 -0.000359 -0.007418 -0.003094 -0.003953 4C 3s -0.167437 -0.540130 -0.127941 0.159051 0.124267 0.100908 4C 4s 0.773626 2.119852 0.605383 -0.389253 -0.638727 -0.569589 4C 5s 0.425368 0.591614 0.620717 -0.193372 -0.313345 -0.060685 4C 1pz 0.007661 0.009939 0.028720 0.027200 0.024491 -0.023901 4C 1px -0.017451 -0.069766 -0.037465 0.036700 -0.037132 -0.042133 4C 1py 0.003553 -0.013727 -0.008872 0.029596 0.000629 -0.024661 4C 2pz -0.192748 -0.458855 -0.327251 -0.163544 -0.269784 0.118040 4C 2px -0.216543 0.191561 -0.100382 -0.051674 -0.043953 0.609442 4C 2py -0.113587 -0.256133 -0.141546 -0.070369 -0.176204 0.268455 4C 3pz -0.461921 -0.977594 -0.446019 -0.154380 -0.143845 0.051472 4C 3px -0.058794 -0.256203 0.110844 0.066746 -0.003290 0.312011 4C 3py -0.176591 -0.721468 -0.177461 -0.044482 -0.047975 0.118539 4C 1dz2 -0.007555 -0.054151 -0.046672 0.005187 -0.038111 0.017733 4C 1dxz 0.012117 -0.036242 0.009918 0.023479 0.010491 -0.016394 4C 1dyz -0.053949 -0.084802 -0.045067 -0.014994 -0.019889 0.027970 4C 1dx2y2 0.028167 -0.005471 0.042357 -0.008915 0.022368 0.007760 4C 1dxy -0.032200 -0.028496 -0.032806 -0.027115 -0.008747 -0.011156 4C 2dz2 0.297226 0.135758 0.362901 0.145915 0.301998 -0.151470 4C 2dxz -0.152619 0.050965 -0.202706 0.117086 -0.171365 -0.050336 4C 2dyz 0.196288 0.391263 0.230044 0.021011 0.095810 -0.112663 4C 2dx2y2 0.031664 0.043260 -0.016932 -0.158530 -0.210412 0.081338 4C 2dxy -0.186248 0.183248 -0.250539 -0.089205 -0.230253 0.067144 4C 1f0 -0.094115 -0.033282 -0.052304 0.034329 0.048824 0.023481 4C 1f+1 -0.004283 -0.015427 -0.008252 -0.016386 -0.037275 -0.040520 4C 1f-1 0.028497 0.012457 0.039090 -0.000451 0.037884 0.005835 4C 1f+2 0.019614 0.062563 0.003136 -0.025006 -0.039719 -0.016918 4C 1f-2 0.003172 0.048588 0.004111 -0.034305 -0.051915 -0.028037 4C 1f+3 -0.023638 0.034501 -0.003965 -0.022720 -0.024675 -0.021222 4C 1f-3 0.004584 -0.067913 0.015019 0.037833 0.040494 0.016204 5C 1s -0.001036 -0.000900 0.000007 -0.001993 0.000381 -0.001430 5C 2s -0.007145 -0.010933 -0.001566 -0.011372 0.002568 -0.003566 5C 3s 0.218476 0.479288 0.116453 0.340990 -0.012178 0.040413 5C 4s -0.769847 -1.951471 -0.456921 -1.203878 -0.040648 -0.038352 5C 5s -0.288335 -0.765486 -0.377326 -0.584270 -0.244893 0.063478 5C 1pz 0.023185 -0.020701 0.014321 0.013899 0.023981 0.014550 5C 1px -0.035008 0.054636 -0.021492 0.058312 -0.055672 0.018719 5C 1py -0.022886 0.019206 -0.038515 -0.042054 -0.019347 -0.037486 5C 2pz 0.098403 0.302673 -0.042208 -0.028128 -0.231568 0.006247 5C 2px 0.182888 0.237790 0.071585 -0.170117 0.281071 -0.609937 5C 2py -0.045764 -0.589313 0.230481 0.178101 0.279648 0.216320 5C 3pz 0.373675 0.657027 0.176953 0.058885 -0.073909 0.183451 5C 3px 0.085740 0.237133 0.356115 0.024076 0.181304 -0.116093 5C 3py -0.389536 -1.102393 -0.270451 -0.052840 0.062842 -0.174138 5C 1dz2 -0.019417 -0.038658 -0.009689 0.005673 0.011836 0.003391 5C 1dxz -0.028778 0.045863 -0.034299 0.006690 -0.046748 0.006814 5C 1dyz -0.012171 -0.103833 0.022934 0.002402 0.037392 0.022917 5C 1dx2y2 -0.045950 -0.042255 -0.017025 -0.026676 0.011104 0.025969 5C 1dxy -0.041295 -0.045835 -0.017867 -0.020910 0.003566 -0.026964 5C 2dz2 0.064950 -0.011098 0.145081 0.102578 0.082865 0.135711 5C 2dxz -0.088288 0.183291 -0.129588 0.163705 0.001859 -0.063810 5C 2dyz 0.137089 0.597423 -0.071012 0.142335 -0.194902 -0.218929 5C 2dx2y2 -0.093939 0.523463 -0.372780 -0.247078 -0.304166 -0.376509 5C 2dxy 0.079489 -0.102986 0.152054 -0.030160 0.131441 0.183104 5C 1f0 0.041588 0.025386 0.018516 0.026407 -0.004029 -0.008856 5C 1f+1 0.028929 0.061557 0.007898 0.037944 0.017502 0.002411 5C 1f-1 -0.048718 0.021739 -0.047783 -0.012623 -0.041102 -0.013951 5C 1f+2 0.004274 -0.000121 -0.012483 -0.022319 -0.053786 -0.008624 5C 1f-2 -0.010245 -0.035071 0.009464 -0.002549 0.026334 0.007186 5C 1f+3 0.049899 -0.074581 0.055718 -0.013651 -0.034510 0.019889 5C 1f-3 0.043495 -0.109320 0.014564 -0.050746 -0.076094 0.000114 6C 1s -0.001013 -0.000578 -0.000653 -0.001983 -0.000391 0.001506 6C 2s -0.006908 -0.008723 -0.006734 -0.011335 -0.002651 0.003980 6C 3s 0.210615 0.422171 0.255243 0.339880 0.014969 -0.062848 6C 4s -0.733312 -1.716873 -1.042143 -1.196404 0.029998 0.148807 6C 5s -0.290300 -0.820312 -0.276089 -0.575907 0.249896 -0.019311 6C 1pz -0.025025 0.006468 0.022440 -0.013973 0.023803 0.014814 6C 1px 0.037620 -0.026740 -0.049617 -0.058436 -0.055947 0.023485 6C 1py 0.027581 0.010606 -0.039505 0.041844 -0.019892 -0.037398 6C 2pz -0.080532 -0.190236 -0.242956 0.028619 -0.231639 -0.005519 6C 2px -0.183532 -0.217623 -0.124121 0.167423 0.275494 -0.623131 6C 2py -0.000633 0.275677 0.576284 -0.173695 0.284859 0.229270 6C 3pz -0.368522 -0.585588 -0.344387 -0.062214 -0.077859 0.179276 6C 3px -0.096661 -0.409585 0.095648 -0.023556 0.169696 -0.095493 6C 3py 0.378650 0.970377 0.581591 0.061127 0.065322 -0.158404 6C 1dz2 -0.019029 -0.034362 -0.019508 0.005482 -0.011051 -0.003529 6C 1dxz -0.032538 0.011197 0.054800 0.007278 0.046029 -0.006913 6C 1dyz -0.007354 -0.059868 -0.088717 0.001125 -0.039040 -0.018537 6C 1dx2y2 -0.046184 -0.041290 -0.019706 -0.026557 -0.011508 -0.026093 6C 1dxy -0.039917 -0.044629 -0.021618 -0.020741 -0.004396 0.027067 6C 2dz2 0.071631 0.088904 -0.106605 0.102342 -0.082696 -0.142393 6C 2dxz -0.097047 0.048119 0.209611 0.164318 -0.004624 0.059471 6C 2dyz 0.116279 0.384079 0.466458 0.144010 0.196698 0.209085 6C 2dx2y2 -0.135010 0.132760 0.621120 -0.239541 0.303263 0.394051 6C 2dxy 0.082165 0.027833 -0.169886 -0.033786 -0.124922 -0.185059 6C 1f0 -0.042810 -0.030199 -0.006805 -0.026862 -0.004179 -0.008965 6C 1f+1 -0.027353 -0.049063 -0.037403 -0.037765 0.017303 0.002023 6C 1f-1 0.053555 0.015410 -0.047231 0.012422 -0.040033 -0.016771 6C 1f+2 -0.002896 0.008882 -0.010247 0.022032 -0.054057 -0.007227 6C 1f-2 0.008919 0.018039 0.030417 0.002841 0.026496 0.005245 6C 1f+3 -0.057138 0.018256 0.087122 0.013225 -0.033783 0.019572 6C 1f-3 -0.049708 0.071780 0.082220 0.050677 -0.075737 -0.002077 7C 1s -0.000759 0.000578 0.002550 -0.001274 0.001295 0.001233 7C 2s 0.000761 0.010572 0.010297 -0.007202 0.003155 0.004051 7C 3s -0.163086 -0.480519 -0.286637 0.157580 -0.129521 -0.084086 7C 4s 0.760441 1.951041 1.060838 -0.392192 0.664238 0.463231 7C 5s 0.447231 0.846793 -0.019611 -0.210498 0.335560 -0.023349 7C 1pz -0.006969 -0.026878 0.012216 -0.025354 0.023870 -0.022197 7C 1px 0.016679 0.076407 0.021761 -0.037334 -0.036856 -0.040297 7C 1py -0.002391 0.016491 0.002369 -0.029431 0.000839 -0.024384 7C 2pz 0.181901 0.557716 0.094713 0.153938 -0.263734 0.120445 7C 2px 0.225974 -0.077255 -0.178205 0.048870 -0.036604 0.574465 7C 2py 0.103306 0.281840 0.086785 0.068235 -0.173134 0.264851 7C 3pz 0.458034 1.006732 0.376945 0.153672 -0.132111 0.064324 7C 3px 0.054632 0.106932 0.256990 -0.061978 -0.005655 0.296713 7C 3py 0.168613 0.641412 0.377733 0.046678 -0.041609 0.110139 7C 1dz2 -0.008056 -0.070711 -0.003843 0.005663 0.037898 -0.018369 7C 1dxz 0.014690 -0.019463 -0.030969 0.023116 -0.009547 0.014072 7C 1dyz -0.052585 -0.092609 -0.029781 -0.014475 0.019270 -0.025169 7C 1dx2y2 0.031348 0.025283 -0.032145 -0.009485 -0.020660 -0.007867 7C 1dxy -0.033213 -0.042557 0.001641 -0.026328 0.007165 0.011404 7C 2dz2 0.297058 0.339558 -0.140671 0.136492 -0.293513 0.144671 7C 2dxz -0.156477 -0.096034 0.162605 0.119060 0.161156 0.061356 7C 2dyz 0.192429 0.441293 0.117262 0.018869 -0.091173 0.098017 7C 2dx2y2 0.038865 0.018032 0.038580 -0.156175 0.207373 -0.081089 7C 2dxy -0.190463 -0.031095 0.283474 -0.083456 0.227223 -0.069719 7C 1f0 0.094898 0.058330 -0.007612 -0.034823 0.049255 0.021692 7C 1f+1 0.007045 0.018477 0.003811 0.016622 -0.036252 -0.040208 7C 1f-1 -0.027928 -0.034852 0.017165 0.001041 0.037397 0.005603 7C 1f+2 -0.015855 -0.045599 -0.042474 0.025443 -0.040502 -0.012686 7C 1f-2 -0.001679 -0.038482 -0.031145 0.035433 -0.052829 -0.023798 7C 1f+3 0.025037 -0.023794 -0.025926 0.023620 -0.025226 -0.021967 7C 1f-3 -0.007633 0.039044 0.056909 -0.037523 0.040038 0.016606 8C 1s 0.002259 0.003021 0.002149 0.002628 0.000076 -0.001196 8C 2s 0.006512 0.008303 0.004630 0.008493 -0.001479 -0.004042 8C 3s -0.165351 -0.328789 -0.252165 -0.161926 -0.057279 -0.017276 8C 4s 0.621122 1.446793 1.322939 0.425368 0.440820 0.316816 8C 5s 0.430418 1.275820 0.587990 0.250246 -0.053681 -0.084198 8C 1pz -0.035436 0.020824 0.062427 -0.042330 0.025810 0.013954 8C 1px -0.072239 0.121006 0.232792 0.114935 -0.046343 0.040851 8C 1py -0.128042 -0.120619 -0.008203 -0.071403 -0.030883 0.002978 8C 2pz -0.886768 -0.760975 -0.019014 -0.801295 0.404095 0.123081 8C 2px -0.744311 0.340339 0.572357 0.865759 -1.595854 -0.266323 8C 2py -0.442876 0.676468 1.151350 0.103800 -0.175713 0.275409 8C 3pz 0.057586 -0.151099 -0.138057 0.073967 -0.060874 -0.042822 8C 3px 0.023803 -0.177271 -0.289862 -0.107669 0.035463 0.052146 8C 3py 0.244599 0.337876 0.040151 0.084521 -0.031298 -0.047591 8C 1dz2 0.002645 0.015453 -0.003233 0.009768 -0.049343 -0.004688 8C 1dxz 0.113771 -0.043999 -0.115475 -0.072278 0.156661 0.003472 8C 1dyz -0.062459 -0.099073 -0.056236 -0.103795 0.060161 0.016762 8C 1dx2y2 0.090008 -0.029162 -0.103841 0.006619 -0.003035 -0.012540 8C 1dxy -0.013363 0.016541 0.000017 0.031173 -0.058136 -0.013321 8C 2dz2 -0.117164 -0.213397 -0.092494 -0.250625 0.134545 -0.001880 8C 2dxz -0.640239 0.365724 0.877781 0.356332 -0.726790 0.089276 8C 2dyz 0.198081 0.220994 0.042125 0.490705 -0.412618 -0.108106 8C 2dx2y2 -0.693683 -0.046143 0.632140 -0.023397 -0.003110 0.076728 8C 2dxy 0.055707 -0.387804 -0.629054 -0.393105 0.098223 -0.066486 8C 1f0 0.110331 0.025655 -0.073372 0.055557 0.004099 -0.021310 8C 1f+1 -0.029630 0.063194 0.092908 0.103837 -0.090368 -0.003491 8C 1f-1 -0.083757 -0.010660 0.070360 -0.044209 -0.029890 0.019134 8C 1f+2 0.003298 0.078167 0.100988 0.039010 -0.003277 0.008842 8C 1f-2 0.042844 0.002561 -0.023640 -0.034311 0.062118 0.012870 8C 1f+3 0.115323 -0.024622 -0.133092 -0.014471 0.060346 -0.027413 8C 1f-3 0.017054 -0.074919 -0.088681 -0.119004 0.115958 -0.011498 9C 1s -0.000772 -0.003665 -0.001837 0.001537 -0.000392 0.000493 9C 2s -0.001079 -0.009418 -0.006669 0.005560 -0.003383 0.000984 9C 3s 0.131910 0.405358 0.178396 -0.068342 -0.014429 0.083526 9C 4s -0.684160 -1.862256 -0.686143 0.040278 0.263782 -0.555727 9C 5s -0.703426 -1.227130 -0.166419 -0.029428 0.157613 0.157722 9C 1pz 0.016672 -0.094806 -0.080850 0.019877 0.031541 0.003688 9C 1px -0.066046 -0.152092 -0.019732 0.117015 -0.044747 -0.017219 9C 1py -0.130184 -0.134593 0.025475 0.002904 0.001364 -0.032800 9C 2pz 0.917849 1.130637 0.125367 -0.195317 0.361993 0.473532 9C 2px 0.059870 -0.457159 -0.715801 1.222894 -1.479651 -0.423272 9C 2py -0.641997 0.290112 0.693951 -0.112851 -0.228874 -0.039920 9C 3pz 0.045513 0.287391 0.170186 0.021295 -0.030145 0.031444 9C 3px 0.050328 0.145835 0.052171 -0.087822 0.158482 -0.014328 9C 3py 0.254217 0.275249 -0.044084 0.072953 -0.038594 0.019212 9C 1dz2 -0.084589 -0.080453 0.022219 0.009437 -0.007579 -0.015539 9C 1dxz -0.036489 0.045639 0.093345 -0.103985 0.129674 0.041364 9C 1dyz -0.015865 -0.092522 -0.052454 0.063591 -0.037658 -0.032699 9C 1dx2y2 -0.069493 -0.028682 0.012704 0.054696 -0.081649 -0.027485 9C 1dxy 0.076434 0.038458 -0.013974 -0.020854 0.068630 0.044146 9C 2dz2 0.499015 0.219992 -0.326410 -0.063664 0.065528 0.006777 9C 2dxz 0.021885 -0.557324 -0.423916 0.655910 -0.537094 -0.197140 9C 2dyz -0.203364 -0.058466 0.176139 -0.315451 0.316876 0.052692 9C 2dx2y2 0.450123 0.269065 -0.051760 -0.141515 0.439483 0.331701 9C 2dxy -0.548658 -0.459194 0.149732 0.231753 -0.212723 -0.122160 9C 1f0 -0.108328 -0.071791 0.042845 0.056762 -0.079765 -0.050275 9C 1f+1 0.062471 -0.016105 -0.067105 0.053117 -0.030004 0.008717 9C 1f-1 0.069769 0.094376 0.017681 -0.040345 0.041189 0.033809 9C 1f+2 0.005448 0.000090 0.018688 -0.085661 0.080848 0.005558 9C 1f-2 -0.021073 0.060502 0.044073 -0.069010 0.009837 0.002829 9C 1f+3 -0.105508 -0.058662 0.053435 -0.021284 -0.001074 -0.024223 9C 1f-3 -0.022333 -0.078266 -0.044491 0.108664 -0.073191 -0.010321 10H 1s 0.025834 0.035045 0.028460 -0.100581 -0.063551 0.010700 10H 2s -0.371926 -0.987592 -0.162329 1.434125 1.677245 0.606353 10H 3s 0.156068 0.228081 0.132377 -0.374629 -0.400839 -0.071070 10H 1pz 0.108375 -0.106103 0.158470 0.219495 0.306941 0.108140 10H 1px 0.220256 0.393969 0.186083 -0.511795 -0.518697 -0.167821 10H 1py -0.109509 0.062211 -0.039034 -0.025958 0.114957 0.085433 11H 1s 0.048940 -0.080678 0.022572 0.091936 0.002948 -0.031842 11H 2s -0.777483 1.069725 -0.521888 -0.991178 -0.542520 -0.062913 11H 3s 0.297639 -0.274003 0.251777 0.271611 0.222666 0.065354 11H 1pz -0.029318 0.241887 -0.006507 -0.234326 -0.161248 -0.029672 11H 1px -0.314004 0.183341 -0.252787 -0.136235 -0.058784 -0.027276 11H 1py 0.153982 -0.308814 0.079064 0.321402 0.165878 -0.004225 12H 1s -0.128406 -0.022645 -0.134405 0.009747 0.021127 0.033254 12H 2s 1.454030 0.473850 1.155200 -0.490789 -0.849511 -0.617037 12H 3s -0.355692 -0.071476 -0.296391 0.063214 0.227288 0.184048 12H 1pz -0.317501 -0.062418 -0.265562 0.075212 0.095815 0.055228 12H 1px 0.246575 -0.066301 0.166199 0.113537 -0.042734 -0.136817 12H 1py 0.412730 0.234460 0.329846 -0.253125 -0.317249 -0.189236 13H 1s 0.022469 -0.073929 0.028108 -0.105468 -0.062169 -0.002745 13H 2s -0.353798 1.217029 -0.204860 1.363370 1.752862 0.134683 13H 3s 0.079232 -0.392336 0.070285 -0.382726 -0.401583 -0.036068 13H 1pz -0.222629 0.316503 -0.149544 0.262939 0.438160 0.025982 13H 1px 0.037654 -0.467935 0.059819 -0.476379 -0.410646 -0.029686 13H 1py -0.110592 0.175867 -0.177371 -0.076980 -0.220991 -0.061578 14H 1s -0.090104 0.163090 -0.109808 0.020884 0.031768 -0.042111 14H 2s 1.283226 -1.725371 0.999252 -0.573115 -1.186108 0.192115 14H 3s -0.360311 0.427434 -0.346153 0.091474 0.223714 -0.052731 14H 1pz 0.106838 -0.334860 0.067131 -0.283097 -0.289337 -0.007258 14H 1px 0.453484 -0.487915 0.344400 -0.074318 -0.334407 0.086414 14H 1py 0.267468 -0.367456 0.256881 -0.128289 -0.077357 0.017597 15H 1s 0.102126 0.019403 0.078669 0.105753 0.004603 0.018194 15H 2s -1.201862 -0.173381 -0.835201 -1.005660 -0.303843 -0.231887 15H 3s 0.352864 -0.056038 0.237167 0.283815 0.129124 0.091783 15H 1pz 0.407372 -0.001918 0.311578 0.306456 0.093646 0.068413 15H 1px -0.171134 0.229272 -0.157044 0.120424 0.076615 0.007996 15H 1py 0.205810 0.145666 0.125021 0.278644 0.098499 0.055950 16H 1s -0.004411 0.006366 0.064837 -0.023625 0.000361 -0.031016 16H 2s 0.118707 0.065743 -0.014540 -0.189365 0.505456 -1.007496 16H 3s 0.008295 -0.005978 0.148131 -0.054546 0.079524 -0.155892 16H 1pz 0.072761 0.026457 0.090603 -0.152083 0.331964 -0.639526 16H 1px 0.017427 -0.014460 -0.035455 0.083940 -0.103856 0.047225 16H 1py 0.017361 0.045719 0.034854 -0.094965 0.135099 -0.282121 17H 1s -0.002917 -0.044597 0.012753 -0.048958 -0.005274 0.042705 17H 2s -0.053122 -0.011815 -0.227961 0.169191 -0.065134 1.053300 17H 3s 0.009984 -0.106163 0.031341 -0.087262 -0.013146 0.200363 17H 1pz 0.024239 0.064164 0.100502 -0.088007 0.069159 -0.416373 17H 1px 0.037832 0.021961 0.047999 0.011758 -0.010607 -0.503621 17H 1py -0.025075 0.001309 -0.065649 0.006284 -0.024757 0.383794 18H 1s -0.005361 -0.021632 -0.038880 -0.050069 0.006756 -0.048499 18H 2s -0.073489 -0.169685 0.142761 0.178520 0.086542 -1.212531 18H 3s 0.006344 -0.054289 -0.094002 -0.088775 0.017301 -0.222896 18H 1pz -0.034232 -0.118671 0.022972 0.090181 0.075530 -0.483301 18H 1px -0.047172 -0.047976 0.013929 -0.009559 -0.000064 -0.575758 18H 1py 0.035926 0.039271 -0.043858 -0.008119 -0.035528 0.437152 19H 1s -0.001378 0.051381 -0.043715 -0.024163 0.000299 0.032971 19H 2s 0.114180 0.039442 0.063216 -0.182326 -0.488485 1.034991 19H 3s 0.015237 0.099467 -0.113809 -0.055505 -0.076710 0.162116 19H 1pz -0.074546 -0.082615 0.043183 0.146696 0.318981 -0.657619 19H 1px -0.017611 0.038029 -0.016311 -0.085387 -0.102307 0.049049 19H 1py -0.016495 -0.063706 -0.007675 0.095174 0.132641 -0.293888 20H 1s 0.108935 0.064129 -0.037636 0.104204 -0.005052 -0.018804 20H 2s -1.269544 -0.659089 0.421624 -0.993002 0.306363 0.252109 20H 3s 0.372163 0.108752 -0.192178 0.278055 -0.128423 -0.103411 20H 1pz -0.433651 -0.199278 0.203502 -0.302949 0.095065 0.075324 20H 1px 0.194573 -0.065094 -0.259232 -0.117408 0.074482 0.008229 20H 1py -0.210157 -0.185691 -0.020790 -0.275842 0.098797 0.061784 21H 1s -0.103170 0.048337 0.185002 0.022560 -0.030832 0.040779 21H 2s 1.434439 -0.630252 -1.820508 -0.575392 1.163020 -0.169387 21H 3s -0.404665 0.089809 0.517262 0.093502 -0.220439 0.046276 21H 1pz -0.129952 0.205553 0.273519 0.280927 -0.286712 -0.012477 21H 1px -0.500352 0.137383 0.551307 0.074632 -0.325320 0.079843 21H 1py -0.301020 0.102703 0.418752 0.129431 -0.077375 0.014127 22H 1s 0.024990 -0.035378 -0.067713 -0.105265 0.062396 0.003227 22H 2s -0.419419 0.769531 0.939971 1.347886 -1.740256 -0.151457 22H 3s 0.095282 -0.243570 -0.309932 -0.379986 0.402498 0.035094 22H 1pz 0.248065 -0.137389 -0.305728 -0.258070 0.430905 0.030575 22H 1px -0.060564 0.306041 0.357006 0.471932 -0.410303 -0.034221 22H 1py 0.127268 -0.009582 -0.239881 0.076309 -0.221782 -0.064683 23H 1s -0.133392 -0.105991 0.070873 0.013724 -0.021523 -0.029420 23H 2s 1.490957 1.109943 -0.403785 -0.515155 0.833519 0.564247 23H 3s -0.366481 -0.247871 0.136367 0.070697 -0.226886 -0.174531 23H 1pz 0.326399 0.220867 -0.125028 -0.080677 0.097428 0.049938 23H 1px -0.251954 -0.056338 0.147530 -0.113704 -0.035547 -0.127107 23H 1py -0.422150 -0.389465 0.049482 0.258558 -0.312023 -0.173069 24H 1s 0.053700 -0.043695 -0.067863 0.089684 -0.004127 0.031297 24H 2s -0.861238 0.426277 1.066230 -0.987608 0.562955 0.053331 24H 3s 0.325191 -0.029844 -0.350989 0.266850 -0.224641 -0.061677 24H 1pz 0.040136 -0.170553 -0.169162 0.235565 -0.165663 -0.025020 24H 1px 0.338503 0.032477 -0.292296 0.137929 -0.067277 -0.026229 24H 1py -0.170858 0.170854 0.257507 -0.319781 0.167807 -0.007593 25H 1s 0.024438 0.043284 0.006429 -0.100715 0.063584 -0.011462 25H 2s -0.319515 -0.811663 -0.601666 1.450607 -1.676523 -0.555848 25H 3s 0.147816 0.249508 0.077126 -0.380965 0.405723 0.055892 25H 1pz -0.118885 -0.028355 0.181231 -0.221538 0.308365 0.102429 25H 1px -0.205940 -0.405954 -0.156089 0.518461 -0.519400 -0.150647 25H 1py 0.113982 -0.024742 -0.065937 0.029880 0.106208 0.080724 26O 1s -0.000975 -0.000488 -0.001304 -0.003142 -0.002663 -0.000170 26O 2s -0.002838 -0.003453 -0.004435 -0.008490 -0.008252 -0.000392 26O 3s 0.008287 0.066849 0.016348 0.014591 0.023376 0.010209 26O 4s 0.110396 -0.246934 0.143960 0.150964 0.164539 -0.068196 26O 5s -0.066319 -0.337191 -0.002251 0.279479 0.504803 -0.493724 26O 1pz -0.057047 0.067640 0.024884 -0.103698 0.019810 0.034284 26O 1px -0.062433 0.012661 -0.035204 -0.002477 -0.016345 -0.024729 26O 1py 0.133936 0.000362 0.114593 -0.001095 0.060579 0.054071 26O 2pz 0.070602 -0.083104 -0.023619 0.115044 -0.022918 0.012052 26O 2px 0.030657 0.165919 -0.028202 -0.140268 -0.159871 0.123807 26O 2py -0.180584 0.074436 -0.183051 -0.072783 -0.157209 -0.017847 26O 3pz -0.104321 -0.032082 0.024522 0.024504 0.104921 0.053473 26O 3px -0.204016 0.053873 -0.171161 0.137185 -0.126496 0.205433 26O 3py 0.071083 -0.004634 0.220700 0.164310 0.043942 0.196178 26O 1dz2 -0.000461 -0.001217 -0.001350 0.001106 0.000547 -0.000950 26O 1dxz -0.000672 0.000318 -0.000836 0.000987 0.001941 0.000497 26O 1dyz 0.000765 -0.000892 0.005950 -0.000386 0.005372 0.000365 26O 1dx2y2 -0.001990 0.002453 -0.000899 -0.005719 -0.002670 -0.003491 26O 1dxy 0.000524 0.001104 0.001217 -0.004185 0.002287 -0.000393 26O 2dz2 -0.039529 -0.049730 -0.054699 0.027823 -0.046642 0.015705 26O 2dxz 0.043055 0.013828 -0.012517 0.018387 -0.058664 -0.072335 26O 2dyz -0.035621 -0.070703 -0.019110 0.027435 -0.014924 -0.014715 26O 2dx2y2 0.079128 -0.006057 0.081975 -0.045250 0.052643 -0.030263 26O 2dxy -0.050487 -0.010744 -0.061145 -0.042059 0.023611 -0.044028 26O 1f0 0.002889 0.003081 0.003118 -0.000066 -0.001365 -0.000528 26O 1f+1 -0.002589 -0.013466 -0.000897 0.005168 0.001673 -0.000653 26O 1f-1 0.005172 0.001132 0.002167 0.002584 -0.003130 0.000410 26O 1f+2 0.000732 -0.003033 0.004136 0.001850 0.005874 0.000734 26O 1f-2 -0.002743 -0.002701 -0.004127 0.000820 -0.002725 0.000673 26O 1f+3 -0.001583 -0.006162 -0.004326 0.002325 0.001448 -0.001604 26O 1f-3 -0.002918 -0.011203 -0.001745 0.006520 0.003896 -0.004917 27O 1s -0.002399 0.001355 -0.000961 -0.003188 -0.002049 -0.002075 27O 2s -0.006764 0.004535 -0.001912 -0.008583 -0.005562 -0.006259 27O 3s 0.018554 -0.026004 -0.026138 0.011158 0.004152 0.011238 27O 4s 0.057904 -0.136930 0.307612 0.136657 0.228754 0.178220 27O 5s 0.144242 0.127937 -0.047954 0.766401 -0.259062 0.724922 27O 1pz 0.109125 -0.156807 0.115665 -0.026376 0.086273 0.017793 27O 1px -0.003523 -0.002975 -0.005164 0.002013 0.007504 0.010953 27O 1py 0.115314 0.008089 0.066414 0.113346 -0.003290 -0.010937 27O 2pz -0.119087 0.184189 -0.128831 0.033818 -0.094167 -0.008348 27O 2px -0.050000 0.024692 -0.152698 -0.210417 -0.130650 -0.204509 27O 2py -0.168896 -0.015549 -0.063412 -0.089639 -0.004281 0.060921 27O 3pz 0.118697 -0.173595 0.110590 0.019703 0.056656 0.020606 27O 3px -0.014990 0.185433 -0.028923 -0.039410 0.255033 -0.308170 27O 3py 0.222489 -0.102174 0.145453 -0.046586 -0.104015 0.036772 27O 1dz2 0.000925 -0.000102 0.001165 0.002998 0.001722 -0.001463 27O 1dxz -0.000140 -0.000553 0.001451 0.002038 0.004136 -0.000402 27O 1dyz -0.001744 0.002401 -0.004579 0.000246 -0.002366 -0.001873 27O 1dx2y2 0.002943 -0.000652 -0.000902 -0.003687 -0.002487 -0.000552 27O 1dxy 0.002042 -0.000103 -0.001501 0.001519 -0.003570 -0.000305 27O 2dz2 -0.007213 -0.026130 0.012293 -0.001919 0.030478 -0.040156 27O 2dxz -0.042109 0.113576 -0.090510 0.040844 -0.047200 -0.022255 27O 2dyz -0.033261 -0.121077 0.018558 -0.051827 0.024517 0.028225 27O 2dx2y2 -0.007660 -0.069998 0.015150 -0.034211 0.031950 0.064132 27O 2dxy -0.084407 0.019798 -0.036499 -0.037371 0.081786 -0.037375 27O 1f0 -0.000838 0.002786 0.000815 -0.001419 0.003013 -0.001609 27O 1f+1 0.000495 0.005973 0.002974 0.008730 0.003037 0.004220 27O 1f-1 0.001756 0.003020 0.000094 0.000235 -0.001851 -0.000085 27O 1f+2 -0.003111 0.009581 -0.000374 0.003805 -0.000301 0.002991 27O 1f-2 -0.002937 -0.003743 0.001145 -0.000874 0.004961 0.002625 27O 1f+3 0.009037 0.009370 0.004738 0.009387 -0.001475 0.003721 27O 1f-3 -0.002388 0.002185 -0.001291 -0.001631 0.003795 0.000689 28O 1s -0.000562 0.001297 0.000517 -0.002454 0.000297 0.000940 28O 2s -0.003486 0.003608 -0.000611 -0.008620 -0.000729 0.002120 28O 3s 0.055814 -0.000114 0.040705 0.051929 0.022128 -0.000509 28O 4s -0.240842 -0.010858 -0.241921 -0.093910 -0.174045 -0.117008 28O 5s -0.013965 -0.231768 0.098461 0.594998 0.570917 0.742968 28O 1pz 0.042481 0.074071 0.032620 -0.052814 -0.055496 -0.030881 28O 1px -0.019514 0.011266 -0.050672 -0.020124 -0.058018 -0.029428 28O 1py -0.054929 0.044304 -0.093024 -0.033468 -0.071907 -0.002797 28O 2pz -0.009253 -0.060780 -0.045831 -0.021234 0.026256 0.045215 28O 2px -0.074677 -0.076020 -0.028801 0.069963 0.037402 0.045067 28O 2py 0.057712 -0.061459 0.099253 0.017665 0.064423 0.011165 28O 3pz 0.214721 0.157677 0.153375 -0.094342 -0.421311 -0.462419 28O 3px -0.177523 -0.007103 -0.149585 0.118986 0.145539 0.276555 28O 3py -0.094639 0.072399 -0.167805 -0.050145 -0.196844 -0.071221 28O 1dz2 0.001178 0.001363 0.004542 0.001893 0.002622 -0.001794 28O 1dxz 0.000597 0.001256 0.002026 0.001598 0.000313 -0.002455 28O 1dyz 0.001454 -0.001602 0.001916 0.005305 0.002304 -0.002327 28O 1dx2y2 -0.002074 -0.003038 -0.001718 -0.000275 0.000719 0.004248 28O 1dxy -0.001074 -0.001973 -0.002145 0.000773 0.000382 -0.000032 28O 2dz2 -0.012688 -0.075892 0.033385 0.107054 0.145774 0.050816 28O 2dxz 0.067579 0.044490 0.059842 -0.034243 -0.032076 -0.085067 28O 2dyz 0.034026 -0.129422 0.051792 0.116383 0.089399 0.011091 28O 2dx2y2 -0.054087 -0.007762 -0.071590 -0.037291 -0.063323 0.029927 28O 2dxy -0.059384 -0.006335 -0.084428 -0.026738 -0.054771 -0.030619 28O 1f0 -0.002469 -0.005772 -0.007330 0.000809 0.000608 0.004394 28O 1f+1 -0.001063 -0.004228 0.003869 0.004162 0.009322 0.001004 28O 1f-1 -0.002153 -0.004364 -0.002863 0.001888 0.001088 0.003857 28O 1f+2 0.005375 0.008242 0.003484 -0.003677 -0.003220 -0.003462 28O 1f-2 -0.000028 0.002070 0.001451 -0.000532 0.002655 -0.001608 28O 1f+3 0.001647 0.002875 0.000696 -0.001523 0.002152 0.000243 28O 1f-3 -0.000792 -0.004542 -0.001800 0.001024 0.000653 -0.001701 29O 1s 0.000346 -0.001318 0.003002 -0.002131 0.008916 0.002811 29O 2s 0.000984 -0.004366 0.010195 -0.005525 0.026374 0.008889 29O 3s -0.001545 0.027345 -0.068853 0.002819 -0.080180 -0.041303 29O 4s -0.004725 -0.041244 0.089638 0.068517 -0.165218 0.003784 29O 5s -0.042887 0.045742 0.038189 0.079763 0.067037 0.009521 29O 1pz 0.035819 0.077175 0.155675 -0.111408 0.176546 -0.461799 29O 1px 0.040670 0.072724 -0.078124 0.168977 -0.100978 -0.254853 29O 1py 0.008052 -0.002854 -0.049194 -0.007797 -0.037703 0.005782 29O 2pz 0.030163 -0.055238 -0.093250 -0.003511 0.047190 -0.238654 29O 2px -0.037323 -0.087115 0.185803 -0.273737 0.161736 0.021657 29O 2py -0.011760 -0.000825 0.038628 -0.023326 0.158826 0.094468 29O 3pz 0.076007 0.082607 0.164531 -0.142529 0.306134 -0.829578 29O 3px 0.033516 0.123897 -0.114216 0.124798 -0.197858 -0.424124 29O 3py 0.046546 -0.028203 -0.060544 0.005711 0.007405 0.083062 29O 1dz2 0.001263 -0.000010 0.001516 -0.002568 0.006732 -0.015172 29O 1dxz -0.000848 -0.000844 -0.002502 0.002215 -0.001948 0.015714 29O 1dyz 0.001577 -0.000488 0.002400 -0.003973 0.006716 -0.019076 29O 1dx2y2 -0.000772 -0.001762 0.000996 -0.001288 -0.002285 0.005180 29O 1dxy -0.000206 0.000228 0.002126 -0.001206 0.000065 -0.010156 29O 2dz2 -0.010397 -0.052897 -0.083138 0.126820 -0.156721 0.231538 29O 2dxz 0.025970 0.018894 -0.001072 0.059171 -0.034812 -0.235344 29O 2dyz -0.044579 -0.037875 -0.074472 0.041653 -0.123380 0.495928 29O 2dx2y2 -0.004253 -0.029369 0.072602 -0.051786 0.067142 -0.020134 29O 2dxy -0.014978 -0.051155 -0.039912 0.036089 -0.041449 0.206750 29O 1f0 0.001312 0.001179 -0.000194 -0.004400 0.011986 -0.002500 29O 1f+1 0.000666 0.000381 0.000849 0.001325 -0.002968 -0.007343 29O 1f-1 0.003984 0.003180 -0.000303 -0.005878 0.018751 -0.028116 29O 1f+2 -0.000521 -0.000133 -0.002570 0.006292 -0.007415 0.011882 29O 1f-2 -0.003022 -0.002015 -0.008920 0.007978 -0.005721 0.041985 29O 1f+3 0.001892 0.000474 -0.000362 0.002518 0.001398 -0.012383 29O 1f-3 0.002375 -0.000254 0.002463 -0.001255 0.002177 -0.019753 30O 1s -0.000042 -0.001288 0.000761 -0.003374 0.001332 -0.000004 30O 2s 0.000232 -0.001049 0.001683 -0.011042 0.002562 -0.000421 30O 3s -0.010798 -0.059113 0.002803 0.053330 0.004318 0.014767 30O 4s 0.020560 0.379030 -0.165418 -0.046374 -0.169995 -0.110184 30O 5s 0.170945 -0.095945 0.612242 0.774517 0.738456 -0.248793 30O 1pz -0.060636 0.083857 -0.106157 -0.028987 -0.086035 -0.053279 30O 1px -0.054531 0.091062 -0.087202 -0.021251 -0.088055 -0.055041 30O 1py 0.016819 0.104281 0.003491 0.064857 0.019371 0.010475 30O 2pz 0.040008 -0.150269 0.104412 -0.041841 0.090568 0.089906 30O 2px 0.107126 0.056710 0.091108 0.109044 0.074874 -0.002314 30O 2py 0.039294 -0.108401 0.053186 0.020356 0.026250 -0.016978 30O 3pz -0.099442 -0.047128 -0.161376 -0.059074 -0.299411 0.087306 30O 3px -0.042773 0.239916 -0.041440 0.174565 0.133695 -0.279526 30O 3py -0.167420 0.319722 -0.114309 0.127536 0.354563 -0.181414 30O 1dz2 0.000931 -0.000436 -0.001463 -0.000496 -0.003015 0.001211 30O 1dxz 0.001586 -0.002620 0.000428 0.001684 -0.001750 0.003699 30O 1dyz -0.000142 0.001515 -0.001551 -0.004835 -0.001553 -0.000460 30O 1dx2y2 -0.002280 0.007560 -0.003130 -0.000784 -0.000943 -0.004090 30O 1dxy -0.002560 -0.000477 -0.001468 -0.002644 0.000624 -0.002696 30O 2dz2 0.025580 -0.109222 0.051235 -0.021398 0.018072 0.044128 30O 2dxz -0.009189 -0.035208 -0.013860 0.007177 -0.008695 0.061812 30O 2dyz -0.053024 -0.028016 -0.142806 -0.158351 -0.125837 -0.036664 30O 2dx2y2 -0.046829 0.086449 -0.129445 -0.093254 -0.166062 -0.105018 30O 2dxy -0.071215 0.075328 -0.054882 0.020337 0.038393 -0.065667 30O 1f0 0.005409 -0.000222 0.005257 0.002257 0.000572 -0.000301 30O 1f+1 -0.000830 0.001677 0.001628 0.000453 0.000144 0.000188 30O 1f-1 -0.001318 -0.003478 -0.000010 -0.000673 0.001765 0.000962 30O 1f+2 -0.001272 -0.008675 0.000776 -0.002971 0.001272 0.003280 30O 1f-2 -0.001248 -0.007333 -0.001772 -0.005192 -0.005541 -0.000420 30O 1f+3 -0.002166 0.001731 0.001276 0.003554 0.006574 0.004267 30O 1f-3 -0.004203 -0.012186 0.000332 -0.005942 -0.003154 0.002660 31O 1s 0.000087 -0.000408 -0.001434 -0.003304 -0.001359 0.000001 31O 2s 0.000534 0.000417 -0.001930 -0.010787 -0.002697 0.000505 31O 3s -0.010432 -0.040982 -0.042639 0.051286 -0.002850 -0.016057 31O 4s 0.004513 0.160913 0.376540 -0.040166 0.164053 0.119246 31O 5s 0.223658 0.346558 -0.502463 0.763049 -0.731753 0.173340 31O 1pz 0.070615 0.010204 -0.127919 0.027894 -0.081794 -0.064745 31O 1px 0.061493 -0.009172 -0.120559 0.019765 -0.086245 -0.057300 31O 1py -0.011587 -0.078036 -0.069316 -0.063720 0.022418 0.004398 31O 2pz -0.049710 0.037789 0.172200 0.043747 0.084164 0.102559 31O 2px -0.112014 -0.098823 0.020353 -0.108056 0.073620 0.004205 31O 2py -0.050735 0.045128 0.109593 -0.021233 0.022159 -0.005285 31O 3pz 0.104391 0.145108 -0.078617 0.055040 -0.294178 0.060194 31O 3px 0.043476 -0.152439 -0.188035 -0.174517 0.133681 -0.257111 31O 3py 0.191304 -0.163978 -0.285064 -0.124321 0.352765 -0.162855 31O 1dz2 0.000872 -0.001409 0.000790 -0.000451 0.002947 -0.001112 31O 1dxz 0.001756 -0.001733 -0.001949 0.001696 0.001691 -0.003466 31O 1dyz -0.000423 0.000120 0.002256 -0.004818 0.001485 0.000984 31O 1dx2y2 -0.002642 0.003511 0.007217 -0.000735 0.000951 0.004008 31O 1dxy -0.002688 -0.001212 0.000552 -0.002642 -0.000530 0.002353 31O 2dz2 0.032420 -0.046438 -0.109852 -0.020848 -0.018707 -0.043027 31O 2dxz -0.009477 -0.036024 -0.014292 0.006780 0.008555 -0.058853 31O 2dyz -0.062541 -0.117162 0.081606 -0.156456 0.123749 0.047954 31O 2dx2y2 -0.055482 -0.024141 0.149162 -0.090792 0.164297 0.106624 31O 2dxy -0.077717 0.020680 0.085204 0.019646 -0.037730 0.060634 31O 1f0 -0.005867 -0.003161 0.003553 -0.002246 0.000572 -0.000130 31O 1f+1 0.000740 -0.002403 0.000113 -0.000443 0.000181 0.000427 31O 1f-1 0.001069 0.002497 0.002498 0.000642 0.001802 0.000959 31O 1f+2 0.000919 0.005812 0.006570 0.002994 0.001264 0.002999 31O 1f-2 0.001157 0.006511 0.003682 0.005177 -0.005639 -0.000550 31O 1f+3 0.002291 -0.002197 -0.000032 -0.003433 0.006611 0.004068 31O 1f-3 0.003829 0.008543 0.008861 0.005981 -0.003018 0.002517 32O 1s 0.000093 0.001389 -0.003078 -0.002081 -0.008422 -0.004221 32O 2s 0.000303 0.004731 -0.010326 -0.005445 -0.025007 -0.012725 32O 3s -0.001175 -0.031966 0.067177 0.004329 0.078345 0.044541 32O 4s 0.003416 0.035475 -0.088673 0.061786 0.152054 0.039151 32O 5s -0.029563 0.054400 0.007358 0.073808 -0.091174 0.072528 32O 1pz -0.045152 -0.166206 0.058918 0.110866 0.176140 -0.501233 32O 1px -0.041410 0.004097 -0.111130 -0.171291 -0.095916 -0.280455 32O 1py -0.001544 0.031426 -0.031469 0.004723 -0.044890 0.030036 32O 2pz -0.025638 0.104524 -0.036725 0.003257 0.044053 -0.257386 32O 2px 0.029439 -0.068438 0.196048 0.279067 0.161353 0.005154 32O 2py 0.008358 -0.024538 0.029845 0.028048 0.164291 0.078327 32O 3pz -0.086814 -0.176834 0.058548 0.141998 0.304743 -0.900934 32O 3px -0.032340 -0.010743 -0.173545 -0.127039 -0.192838 -0.462308 32O 3py -0.042685 0.061224 -0.022150 -0.009236 0.000685 0.110642 32O 1dz2 0.001222 0.001005 -0.000944 -0.002352 -0.006317 0.015079 32O 1dxz -0.001228 -0.002410 0.001137 0.002331 0.002257 -0.018161 32O 1dyz 0.001848 0.001379 -0.001871 -0.004060 -0.006853 0.020941 32O 1dx2y2 -0.000744 -0.000720 -0.001987 -0.001261 0.002316 -0.005763 32O 1dxy -0.000010 0.001568 -0.001302 -0.001277 -0.000259 0.011283 32O 2dz2 -0.007760 -0.097537 0.021398 0.123584 0.142587 -0.202468 32O 2dxz 0.032110 0.014012 0.015685 0.055754 0.023756 0.285398 32O 2dyz -0.051468 -0.082160 0.024332 0.046450 0.130518 -0.550397 32O 2dx2y2 0.002018 0.030381 -0.074570 -0.055296 -0.072637 0.045105 32O 2dxy -0.018182 -0.063981 -0.010189 0.036553 0.042512 -0.222987 32O 1f0 -0.000777 -0.000637 -0.000732 0.003811 0.010180 0.001053 32O 1f+1 -0.000979 -0.001095 0.000348 -0.001069 -0.002711 -0.010296 32O 1f-1 -0.003612 -0.002084 -0.002717 0.005492 0.018186 -0.027118 32O 1f+2 0.000553 0.001896 -0.001536 -0.006241 -0.007550 0.011807 32O 1f-2 0.003799 0.007758 -0.004479 -0.008408 -0.006768 0.048110 32O 1f+3 -0.001983 0.000194 -0.001012 -0.002759 0.001462 -0.012389 32O 1f-3 -0.002701 -0.001540 0.001656 0.001405 0.002650 -0.022533 33O 1s -0.000610 0.001376 0.000456 -0.002444 -0.000203 -0.001197 33O 2s -0.003682 0.002507 0.002561 -0.008557 0.000968 -0.002983 33O 3s 0.057123 0.025021 -0.024122 0.051095 -0.022182 0.005214 33O 4s -0.241774 -0.164621 0.143354 -0.090387 0.167015 0.108946 33O 5s -0.037426 -0.102387 -0.225257 0.589366 -0.575405 -0.651881 33O 1pz -0.042299 -0.074267 -0.029820 0.052748 -0.055962 -0.037561 33O 1px 0.020412 0.025997 -0.041433 0.018692 -0.057126 -0.033218 33O 1py 0.057362 0.027838 -0.091553 0.031671 -0.072160 0.008185 33O 2pz 0.008430 0.074496 0.008962 0.019543 0.025630 0.057310 33O 2px 0.075503 0.073009 0.036218 -0.068664 0.040530 0.044123 33O 2py -0.062951 -0.019433 0.108133 -0.016079 0.064909 -0.002795 33O 3pz -0.211815 -0.212640 -0.019007 0.101792 -0.427313 -0.418712 33O 3px 0.186323 0.103429 -0.083897 -0.124618 0.152367 0.234075 33O 3py 0.109416 0.061714 -0.165462 0.051386 -0.199439 -0.058130 33O 1dz2 0.001215 0.004024 -0.002119 0.001812 -0.002387 0.001557 33O 1dxz 0.000649 0.002273 -0.000542 0.001511 -0.000230 0.002014 33O 1dyz 0.001445 0.000164 -0.002283 0.005178 -0.002282 0.002238 33O 1dx2y2 -0.001970 -0.003374 -0.001039 -0.000158 -0.000662 -0.004005 33O 1dxy -0.001206 -0.002925 0.000119 0.000782 -0.000426 0.000250 33O 2dz2 -0.013790 -0.031596 -0.074648 0.105397 -0.142215 -0.050901 33O 2dxz 0.068927 0.071384 -0.006170 -0.035789 0.034771 0.072085 33O 2dyz 0.033486 -0.060809 -0.120774 0.114582 -0.089834 -0.007042 33O 2dx2y2 -0.054718 -0.053546 0.040841 -0.034722 0.062545 -0.025732 33O 2dxy -0.062564 -0.061041 0.052130 -0.026657 0.054551 0.029356 33O 1f0 0.002855 0.009209 -0.001194 -0.000885 0.000625 0.004124 33O 1f+1 0.000709 0.000337 0.005754 -0.004045 0.009204 0.000864 33O 1f-1 0.001857 0.005050 0.001227 -0.002016 0.001236 0.003762 33O 1f+2 -0.005185 -0.008190 -0.003602 0.003748 -0.003509 -0.003113 33O 1f-2 0.000132 -0.002564 -0.000308 0.000509 0.002810 -0.001732 33O 1f+3 -0.001678 -0.002636 -0.001562 0.001428 0.002007 0.000419 33O 1f-3 0.000832 0.004569 0.001846 -0.001091 0.000859 -0.002017 34O 1s -0.002443 0.000422 0.001435 -0.003076 0.002162 0.001953 34O 2s -0.006869 0.002286 0.003978 -0.008245 0.005992 0.005781 34O 3s 0.017231 -0.038028 0.002298 0.009707 -0.007505 -0.006876 34O 4s 0.080012 0.109611 -0.309654 0.134173 -0.220883 -0.185788 34O 5s 0.135010 0.055421 0.126048 0.760688 0.248572 -0.802434 34O 1pz -0.121832 0.037983 0.183036 0.027829 0.086168 0.007357 34O 1px 0.002946 0.005890 0.000052 -0.002002 0.009121 0.006922 34O 1py -0.122791 -0.047744 0.035294 -0.113067 -0.002338 -0.017563 34O 2pz 0.134240 -0.049513 -0.211160 -0.035716 -0.094362 0.005514 34O 2px 0.060750 0.083620 -0.126256 0.207825 -0.131853 -0.209838 34O 2py 0.175403 0.050296 -0.023207 0.089500 -0.004519 0.072475 34O 3pz -0.130299 0.057467 0.191302 -0.020084 0.054373 0.028141 34O 3px 0.016395 -0.112043 -0.143274 0.032715 0.250601 -0.330714 34O 3py -0.240478 -0.020447 0.154666 0.047781 -0.100364 0.024837 34O 1dz2 0.000988 0.000718 -0.000789 0.002939 -0.001543 0.001124 34O 1dxz 0.000037 0.000598 -0.001466 0.002025 -0.004135 0.000521 34O 1dyz -0.002112 -0.001229 0.004867 0.000298 0.002347 0.001953 34O 1dx2y2 0.002790 -0.001157 0.000481 -0.003705 0.002517 0.000610 34O 1dxy 0.001922 -0.001118 0.001218 0.001509 0.003640 0.000230 34O 2dz2 -0.004869 -0.010222 -0.026426 -0.002193 -0.028470 0.039586 34O 2dxz -0.050667 0.022144 0.139329 0.041503 0.046354 0.022001 34O 2dyz -0.027519 -0.073977 -0.097708 -0.051980 -0.024863 -0.024566 34O 2dx2y2 -0.006645 -0.040072 -0.057551 -0.035969 -0.031292 -0.067256 34O 2dxy -0.089734 -0.006712 0.034963 -0.038003 -0.079664 0.040404 34O 1f0 0.000935 -0.002581 -0.001150 0.001462 0.002991 -0.001620 34O 1f+1 -0.000478 -0.006387 -0.001951 -0.008629 0.002986 0.004722 34O 1f-1 -0.001669 -0.002224 -0.002093 -0.000223 -0.001840 -0.000121 34O 1f+2 0.003446 -0.006907 -0.006525 -0.003834 -0.000233 0.002982 34O 1f-2 0.002749 0.001927 0.003744 0.000909 0.004933 0.002709 34O 1f+3 -0.008923 -0.009824 -0.003630 -0.009386 -0.001589 0.004189 34O 1f-3 0.002705 -0.000858 -0.002317 0.001685 0.003686 0.000686 35O 1s -0.000964 -0.001167 0.000464 -0.003069 0.002624 0.000418 35O 2s -0.002816 -0.005334 0.000465 -0.008250 0.008173 0.001176 35O 3s 0.008068 0.059460 0.034129 0.013634 -0.023780 -0.014429 35O 4s 0.110105 -0.086802 -0.256803 0.147094 -0.157099 0.066844 35O 5s -0.060941 -0.245304 -0.221306 0.278423 -0.512385 0.518251 35O 1pz 0.056851 -0.067491 -0.023768 0.102754 0.022533 0.026491 35O 1px 0.062622 0.012751 -0.028314 0.001743 -0.013318 -0.026711 35O 1py -0.138417 -0.075235 0.072543 0.003388 0.053127 0.065797 35O 2pz -0.071860 0.078788 0.034137 -0.114638 -0.027486 0.022287 35O 2px -0.030050 -0.101330 -0.132463 0.138140 -0.161908 0.127152 35O 2py 0.187899 0.066402 -0.168126 0.068411 -0.146418 -0.034111 35O 3pz 0.098006 0.000686 0.045857 -0.023028 0.104621 0.040513 35O 3px 0.206557 0.070337 -0.137610 -0.138136 -0.123914 0.207987 35O 3py -0.089121 -0.145480 0.161170 -0.161859 0.039818 0.203744 35O 1dz2 -0.000689 -0.001741 0.000112 0.001054 -0.000651 0.000825 35O 1dxz -0.000715 -0.000272 0.000672 0.001039 -0.002056 -0.000328 35O 1dyz 0.000985 0.003488 -0.004879 -0.000558 -0.005441 -0.000190 35O 1dx2y2 -0.002053 0.001226 0.002235 -0.005689 0.002626 0.003537 35O 1dxy 0.000541 0.001667 -0.000114 -0.004202 -0.002301 0.000428 35O 2dz2 -0.038976 -0.071695 0.001726 0.028316 0.044823 -0.017217 35O 2dxz 0.041611 0.000591 0.021968 0.018010 0.056712 0.069238 35O 2dyz -0.032665 -0.063993 -0.036984 0.026573 0.012474 0.016330 35O 2dx2y2 0.081259 0.049394 -0.055949 -0.045890 -0.052192 0.033478 35O 2dxy -0.053211 -0.047420 0.034698 -0.041721 -0.023852 0.043657 35O 1f0 -0.002901 -0.004250 -0.000069 0.000110 -0.001317 -0.000376 35O 1f+1 0.002148 0.010422 0.008719 -0.005241 0.001810 -0.000657 35O 1f-1 -0.005201 -0.002099 0.000213 -0.002552 -0.003301 0.000499 35O 1f+2 -0.001261 -0.000700 0.005172 -0.001864 0.005885 0.000694 35O 1f-2 0.002794 0.004806 -0.000884 -0.000842 -0.002705 0.000633 35O 1f+3 0.001882 0.007535 0.001140 -0.002380 0.001516 -0.001357 35O 1f-3 0.002912 0.009385 0.006403 -0.006383 0.003857 -0.005196 450 451 452 453 454 455 2.60845 2.61282 2.62411 2.63389 2.64443 2.64486 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s 0.000768 0.000217 0.000294 -0.000362 0.003614 0.000048 0Rh 2s -0.005090 -0.001997 -0.000697 0.002000 -0.024299 -0.000392 0Rh 3s 0.001445 0.000068 0.001316 -0.000927 0.006581 0.000048 0Rh 4s 0.026463 0.010307 0.003685 -0.010627 0.126215 0.002045 0Rh 5s -0.049274 -0.020598 -0.002022 0.020968 -0.232275 -0.004312 0Rh 6s 0.028886 0.015437 -0.016564 -0.021965 0.115059 0.005871 0Rh 7s -0.118894 0.044997 -0.130776 0.245678 -0.164897 -0.041352 0Rh 8s 0.270711 -0.132747 0.503921 -0.798753 -0.300516 -0.128919 0Rh 1pz 0.003584 0.000696 -0.004647 -0.001461 0.013174 0.002310 0Rh 1px -0.000654 -0.000857 0.001567 -0.001597 0.002908 -0.003435 0Rh 1py 0.010429 0.001064 0.004479 0.005117 -0.007330 0.013239 0Rh 2pz -0.012963 -0.002495 0.016888 0.005166 -0.047770 -0.008360 0Rh 2px 0.002425 0.003198 -0.005675 0.005785 -0.010497 0.012343 0Rh 2py -0.037994 -0.003905 -0.016131 -0.018470 0.026298 -0.048097 0Rh 3pz 0.014109 0.002053 -0.020131 -0.002895 0.054166 0.008589 0Rh 3px -0.003952 -0.005460 0.005675 -0.006246 0.011351 -0.011643 0Rh 3py 0.046872 0.005564 0.015805 0.020249 -0.023788 0.057020 0Rh 4pz 0.033645 0.010590 -0.034935 -0.026089 0.113749 0.027603 0Rh 4px -0.000165 -0.000113 0.020264 -0.015712 0.024207 -0.039158 0Rh 4py 0.075782 0.003725 0.050394 0.039344 -0.089029 0.100657 0Rh 5pz -0.060336 -0.030119 0.050366 0.054214 -0.189619 -0.063753 0Rh 5px -0.003462 -0.005248 -0.043553 0.028195 -0.024791 0.070125 0Rh 5py -0.134198 0.000116 -0.105450 -0.021727 0.162582 -0.158978 0Rh 6pz -0.055508 0.239642 0.395333 -0.078833 -0.612002 -0.177292 0Rh 6px 0.128473 0.161572 -0.034516 -0.016586 -0.303011 -0.034321 0Rh 6py -0.191515 -0.269981 0.561570 -0.937180 0.087918 -0.402131 0Rh 1dz2 -0.006834 0.000973 0.001483 -0.006345 -0.008115 -0.006632 0Rh 1dxz -0.002606 -0.005992 -0.000607 0.000071 -0.000975 0.000469 0Rh 1dyz -0.004546 -0.006207 -0.000510 -0.003810 0.000845 -0.014245 0Rh 1dx2y2 -0.004305 -0.000780 -0.005053 -0.006562 0.009071 -0.003816 0Rh 1dxy 0.006578 0.002540 -0.013787 0.005878 0.002332 0.004214 0Rh 2dz2 0.001371 -0.000556 0.000039 0.001406 -0.001436 -0.002139 0Rh 2dxz -0.001079 -0.001930 -0.000935 0.001042 -0.001779 -0.000439 0Rh 2dyz 0.005080 -0.003073 -0.000754 0.002565 0.000706 0.000231 0Rh 2dx2y2 0.001459 -0.001682 0.001105 -0.001771 0.003850 -0.001023 0Rh 2dxy 0.002685 -0.000797 -0.001850 0.002091 0.002411 0.000388 0Rh 3dz2 0.013283 -0.000235 -0.004248 0.011678 0.029969 0.028380 0Rh 3dxz 0.012465 0.025692 0.006013 -0.005051 0.010962 0.000508 0Rh 3dyz -0.010362 0.031978 0.004880 -0.000972 -0.005741 0.040039 0Rh 3dx2y2 0.005550 0.009732 0.009561 0.027069 -0.043672 0.015300 0Rh 3dxy -0.031235 -0.003593 0.047957 -0.026351 -0.017685 -0.013894 0Rh 4dz2 0.019994 -0.008851 -0.002147 0.023108 -0.025342 -0.027643 0Rh 4dxz -0.019296 -0.027477 -0.015181 0.018538 -0.028878 -0.004389 0Rh 4dyz 0.081505 -0.053582 -0.012344 0.042773 0.012161 -0.000647 0Rh 4dx2y2 0.024420 -0.024420 0.014897 -0.032401 0.062081 -0.011251 0Rh 4dxy 0.045109 -0.013147 -0.031391 0.032380 0.038364 0.006337 0Rh 5dz2 -0.120665 0.044485 0.044671 -0.155654 0.013854 -0.009535 0Rh 5dxz 0.061380 0.021195 0.055959 -0.086347 0.069708 0.004074 0Rh 5dyz -0.338133 0.177079 0.059755 -0.208575 -0.040018 -0.113813 0Rh 5dx2y2 -0.137988 0.074324 -0.086250 0.095405 -0.101301 -0.021501 0Rh 5dxy -0.110037 0.081572 -0.011198 -0.053433 -0.109720 0.016718 0Rh 1f0 -0.070236 0.001285 -0.034748 -0.084000 0.080981 -0.086398 0Rh 1f+1 -0.026057 -0.067921 -0.011755 0.003051 -0.065707 -0.015320 0Rh 1f-1 -0.134161 0.010604 0.032109 -0.087228 -0.101221 -0.106493 0Rh 1f+2 0.000353 0.029912 -0.010734 -0.046651 0.175843 -0.043199 0Rh 1f-2 -0.098414 -0.049246 -0.060467 -0.078281 0.080359 -0.105834 0Rh 1f+3 0.040964 -0.018629 0.062351 0.066063 -0.154504 0.044471 0Rh 1f-3 -0.081679 0.036536 -0.014360 -0.032979 0.038683 -0.022528 1Rh 1s -0.000721 0.000135 0.000443 0.000400 -0.003405 -0.000917 1Rh 2s 0.004805 -0.001483 -0.001727 -0.002153 0.023067 0.006149 1Rh 3s -0.001339 -0.000104 0.001569 0.001058 -0.006096 -0.001682 1Rh 4s -0.024992 0.007642 0.009022 0.011422 -0.119819 -0.031937 1Rh 5s 0.046781 -0.015883 -0.011862 -0.021951 0.221375 0.058526 1Rh 6s -0.028617 0.013743 -0.011718 0.020420 -0.113785 -0.026594 1Rh 7s 0.123869 0.045278 -0.133210 -0.240747 0.179578 0.014231 1Rh 8s -0.270109 -0.129723 0.455018 0.816372 0.351602 -0.056122 1Rh 1pz 0.003733 -0.000711 0.003858 -0.001344 0.012998 0.001317 1Rh 1px -0.000638 0.000846 -0.001664 -0.001670 0.001514 0.004106 1Rh 1py 0.010306 -0.001895 -0.004931 0.004533 -0.003835 -0.014685 1Rh 2pz -0.013500 0.002569 -0.014040 0.004733 -0.047125 -0.004791 1Rh 2px 0.002352 -0.003158 0.006017 0.006032 -0.005502 -0.014764 1Rh 2py -0.037551 0.006928 0.017784 -0.016357 0.013604 0.053251 1Rh 3pz 0.014659 -0.002588 0.017188 -0.002219 0.053099 0.006306 1Rh 3px -0.003625 0.005415 -0.005860 -0.006172 0.006945 0.014241 1Rh 3py 0.046433 -0.009152 -0.018059 0.017935 -0.008849 -0.060962 1Rh 4pz 0.035058 -0.008327 0.026755 -0.025867 0.114813 0.003943 1Rh 4px -0.001084 -0.000008 -0.021961 -0.017991 0.006904 0.044758 1Rh 4py 0.074460 -0.010317 -0.052362 0.033979 -0.061992 -0.121168 1Rh 5pz -0.061832 0.022615 -0.035204 0.054364 -0.196344 0.010623 1Rh 5px -0.001165 0.005650 0.047166 0.033101 0.006709 -0.075487 1Rh 5py -0.131767 0.011613 0.106284 -0.011947 0.120230 0.196497 1Rh 6pz -0.079585 -0.184209 -0.390975 -0.116129 -0.651519 0.002406 1Rh 6px 0.116696 -0.170730 0.011443 -0.031745 -0.314239 -0.036365 1Rh 6py -0.192808 0.282675 -0.497451 -0.943068 -0.051692 0.423511 1Rh 1dz2 0.006930 0.000167 0.000399 0.005919 0.009487 -0.004784 1Rh 1dxz 0.001842 -0.005873 -0.000620 0.000211 0.000906 0.000631 1Rh 1dyz 0.003970 -0.006228 -0.000934 0.003059 0.002747 -0.014473 1Rh 1dx2y2 0.003867 -0.001601 -0.005331 0.006223 -0.007962 -0.006670 1Rh 1dxy -0.006860 0.003109 -0.013335 -0.006586 -0.004170 0.002915 1Rh 2dz2 -0.001465 -0.000443 0.000077 -0.001510 0.001878 -0.001551 1Rh 2dxz 0.000834 -0.001768 -0.001027 -0.001090 0.001774 0.000022 1Rh 2dyz -0.005436 -0.002537 -0.000466 -0.002607 -0.000788 0.000408 1Rh 2dx2y2 -0.001600 -0.001706 0.001224 0.001796 -0.003328 -0.001980 1Rh 2dxy -0.002815 -0.000636 -0.001598 -0.002182 -0.002522 -0.000112 1Rh 3dz2 -0.013122 0.001536 -0.001314 -0.009994 -0.035811 0.020371 1Rh 3dxz -0.009194 0.024631 0.006471 0.004458 -0.010696 -0.002071 1Rh 3dyz 0.013651 0.029557 0.004772 0.003328 -0.004248 0.039883 1Rh 3dx2y2 -0.003671 0.012193 0.009821 -0.026217 0.038201 0.027900 1Rh 3dxy 0.032640 -0.005980 0.045506 0.028799 0.023482 -0.007881 1Rh 4dz2 -0.021545 -0.006923 -0.001759 -0.024666 0.030586 -0.017905 1Rh 4dxz 0.015762 -0.025178 -0.016722 -0.019261 0.027976 0.003037 1Rh 4dyz -0.087580 -0.044539 -0.007763 -0.043820 -0.012425 0.002268 1Rh 4dx2y2 -0.026505 -0.024867 0.016632 0.032813 -0.055255 -0.027122 1Rh 4dxy -0.047326 -0.010225 -0.027296 -0.033952 -0.040303 -0.001748 1Rh 5dz2 0.128269 0.030584 0.033346 0.157001 -0.006813 -0.025714 1Rh 5dxz -0.058071 0.016111 0.061942 0.092160 -0.062946 -0.014350 1Rh 5dyz 0.359170 0.140593 0.038107 0.208672 0.071538 -0.129052 1Rh 5dx2y2 0.141125 0.066731 -0.092909 -0.100242 0.096106 0.001352 1Rh 5dxy 0.117002 0.074326 -0.022507 0.052683 0.099475 0.031542 1Rh 1f0 -0.069900 0.003923 0.039004 -0.080862 0.055384 0.106053 1Rh 1f+1 -0.019720 0.063902 0.017156 0.005727 -0.065594 -0.003594 1Rh 1f-1 -0.137027 0.001301 -0.017958 -0.086555 -0.122021 0.076925 1Rh 1f+2 -0.002538 -0.027235 0.006116 -0.046304 0.153797 0.089087 1Rh 1f-2 -0.092645 0.056223 0.066957 -0.069874 0.053300 0.122021 1Rh 1f+3 0.041034 0.012590 -0.061223 0.061887 -0.137642 -0.083811 1Rh 1f-3 -0.084272 -0.027787 0.018427 -0.033012 0.031931 0.032432 2C 1s -0.001282 -0.000138 -0.000733 -0.000869 -0.003204 -0.000549 2C 2s -0.005631 0.000060 -0.001044 -0.002259 -0.010149 -0.000597 2C 3s -0.111406 0.143624 0.045680 -0.029936 -0.162731 0.152883 2C 4s 1.043025 -0.763757 -0.172914 0.348349 1.489812 -0.887896 2C 5s -0.283292 -0.580549 -0.338316 -0.848878 -0.316342 -0.665718 2C 1pz -0.035410 0.047326 0.007198 -0.004598 -0.048436 0.054583 2C 1px 0.072668 0.044933 0.004336 0.005611 0.076661 0.025420 2C 1py -0.030910 0.033042 0.000709 -0.015310 -0.052597 0.024888 2C 2pz 0.161912 -0.297393 0.108895 0.064924 0.841174 0.061420 2C 2px 1.182480 0.022251 0.032792 0.569585 0.405721 -0.692986 2C 2py 0.386193 -0.281811 0.028302 0.194820 0.176898 -0.650795 2C 3pz -0.013406 -0.160156 -0.112910 -0.191754 0.039988 -0.177119 2C 3px -0.096855 -0.117876 -0.066539 -0.118921 -0.074462 -0.009919 2C 3py 0.028187 -0.099293 -0.102100 -0.085394 -0.005639 -0.083439 2C 1dz2 0.017099 -0.032417 -0.017717 -0.012089 0.026378 -0.062700 2C 1dxz 0.073108 0.016604 -0.009240 0.032538 0.013841 -0.006259 2C 1dyz -0.017406 -0.027652 -0.031885 -0.021486 0.015003 0.019281 2C 1dx2y2 -0.068947 0.015902 0.016435 -0.025454 -0.016974 0.059844 2C 1dxy 0.036275 -0.002637 -0.005245 0.014174 -0.037419 -0.081682 2C 2dz2 0.107934 -0.009931 0.046352 0.000638 0.187334 -0.024868 2C 2dxz -0.356422 -0.183193 0.009992 -0.093787 -0.176956 -0.059878 2C 2dyz 0.350798 -0.024606 0.042170 0.192121 0.234814 -0.171738 2C 2dx2y2 0.128432 0.011771 -0.064356 0.098162 -0.227695 -0.227942 2C 2dxy -0.214393 -0.080159 0.013643 -0.043569 0.018016 0.155915 2C 1f0 0.087754 -0.022460 -0.002581 0.021155 0.012134 -0.132635 2C 1f+1 0.020247 0.007662 0.007648 0.015593 0.024224 0.009317 2C 1f-1 0.001838 -0.023958 -0.010784 -0.010917 0.023961 -0.008473 2C 1f+2 -0.097612 0.008531 0.010506 -0.019877 -0.106290 0.010433 2C 1f-2 -0.053835 -0.027581 -0.012311 -0.010672 -0.058413 -0.019722 2C 1f+3 -0.031102 0.014367 0.011355 -0.003418 -0.049368 -0.013847 2C 1f-3 0.086197 0.022147 0.001834 0.032394 0.075661 0.008605 3C 1s 0.002215 0.000045 0.000493 0.000699 -0.003195 0.001856 3C 2s 0.008699 -0.000550 0.000847 0.003018 -0.009470 0.003121 3C 3s 0.106795 -0.143982 -0.132771 -0.042173 -0.038194 -0.084731 3C 4s -1.060756 0.769420 0.778345 -0.042285 0.812609 0.461373 3C 5s 0.156566 0.305722 0.799282 0.002085 -0.575768 0.975697 3C 1pz 0.068417 -0.017099 -0.018380 0.028227 -0.089512 -0.012499 3C 1px -0.008477 -0.016793 -0.033981 -0.010522 0.075006 -0.048645 3C 1py -0.021070 0.043680 0.060441 0.017571 -0.026630 0.026815 3C 2pz 0.499042 0.133812 0.093198 0.123192 0.046786 -0.151022 3C 2px -1.143299 0.227988 0.809982 -0.202782 -0.239267 1.304123 3C 2py 0.495902 -0.171025 -0.312365 0.206536 -0.724854 0.203621 3C 3pz -0.124256 0.057634 0.098380 0.038530 0.055566 0.086601 3C 3px 0.060642 0.041395 0.174670 -0.059330 -0.150807 0.181211 3C 3py -0.047366 -0.177601 -0.118935 -0.059313 0.051396 -0.158600 3C 1dz2 0.020566 -0.001586 -0.020793 0.002745 0.053958 -0.081099 3C 1dxz -0.085327 0.032201 0.060181 -0.004720 -0.043972 0.117485 3C 1dyz -0.046513 -0.031759 0.009674 -0.018857 -0.002984 -0.002893 3C 1dx2y2 0.054476 -0.025721 -0.025184 0.007589 -0.011481 -0.027887 3C 1dxy 0.053951 -0.011659 0.006309 -0.006985 0.007314 0.001084 3C 2dz2 -0.100671 -0.028054 -0.034405 -0.057179 0.159950 0.082847 3C 2dxz 0.242278 -0.059732 -0.139016 -0.009668 0.302987 -0.402598 3C 2dyz 0.490966 -0.032427 -0.159664 0.111020 -0.246995 -0.059840 3C 2dx2y2 -0.106164 -0.042362 0.013738 -0.017497 -0.202518 0.111702 3C 2dxy -0.092227 -0.039981 -0.166522 0.020889 0.186724 -0.242378 3C 1f0 -0.052841 -0.002298 -0.007508 -0.033241 0.060389 -0.015669 3C 1f+1 -0.082216 0.010406 0.023460 -0.023859 0.072715 0.003074 3C 1f-1 0.043287 0.017768 0.019726 0.048288 -0.089982 0.058121 3C 1f+2 0.036775 -0.030855 -0.034377 0.015303 -0.007423 -0.042452 3C 1f-2 0.060546 -0.029243 -0.019774 0.001368 -0.026912 -0.005559 3C 1f+3 0.000790 -0.002956 -0.030838 0.005733 0.034922 -0.045645 3C 1f-3 0.095540 -0.018296 -0.047103 0.040397 -0.046445 -0.087921 4C 1s 0.001771 0.000761 0.002473 0.000613 0.002045 0.001302 4C 2s 0.004790 0.005482 0.008909 0.001537 0.004806 0.007099 4C 3s -0.162454 -0.344800 -0.171867 -0.050823 -0.038365 -0.131399 4C 4s 0.570357 1.747606 0.527431 0.089927 -0.266206 0.382247 4C 5s 0.532052 1.120250 0.030218 0.265144 0.000038 -0.104424 4C 1pz -0.083371 -0.008707 -0.050263 -0.048816 -0.119048 0.028263 4C 1px -0.033189 0.005416 0.013585 -0.014365 -0.033939 -0.037828 4C 1py -0.056278 -0.005623 -0.021222 -0.033820 -0.075757 -0.018689 4C 2pz 0.877932 0.070973 0.219745 0.299193 1.014204 -0.377963 4C 2px 0.063947 -0.126835 0.122444 0.271424 0.188419 -0.014778 4C 2py 0.497225 0.009944 0.154356 0.267089 0.634855 -0.141629 4C 3pz 0.138812 -0.204231 -0.499518 -0.606948 -0.118154 -0.707268 4C 3px -0.079896 0.036737 0.143195 0.187729 0.204672 -0.187331 4C 3py 0.062178 -0.148896 -0.220669 -0.416427 0.103110 -0.614929 4C 1dz2 0.004969 -0.009272 -0.013320 0.000496 0.040066 0.024063 4C 1dxz 0.017999 0.009504 -0.021730 -0.019376 0.028356 0.050891 4C 1dyz 0.068022 -0.049154 -0.031063 -0.000367 0.048936 -0.067836 4C 1dx2y2 -0.019771 0.009858 -0.009517 -0.022550 0.022977 0.106765 4C 1dxy 0.036009 -0.033371 -0.022410 -0.000463 0.033634 -0.058052 4C 2dz2 -0.413648 0.125152 -0.022021 -0.267610 -0.317607 0.290144 4C 2dxz -0.271165 -0.177095 -0.004439 0.073508 -0.540142 -0.201595 4C 2dyz -0.251995 0.235868 0.018444 -0.113823 -0.375778 0.219154 4C 2dx2y2 0.443726 0.045028 0.101734 0.145092 0.461646 -0.287741 4C 2dxy 0.150317 0.052963 0.044086 0.204085 -0.062825 -0.078542 4C 1f0 -0.029005 -0.015649 -0.001181 -0.012882 -0.017822 -0.006896 4C 1f+1 -0.017849 -0.008951 0.005898 -0.019673 -0.009830 -0.009667 4C 1f-1 -0.043299 0.003456 0.000849 -0.024976 -0.025669 0.039697 4C 1f+2 0.034814 0.023010 -0.010320 0.018599 0.000494 0.006621 4C 1f-2 0.026386 0.019101 0.001103 0.047581 -0.060980 -0.012350 4C 1f+3 0.020016 0.004376 0.005558 -0.018069 0.023245 -0.003768 4C 1f-3 -0.010357 -0.008418 -0.020868 0.004420 -0.027968 0.013476 5C 1s -0.001572 -0.001346 -0.000184 -0.004163 0.004521 -0.000663 5C 2s -0.002939 -0.007198 -0.003342 -0.014031 0.016505 -0.004240 5C 3s 0.082323 0.349097 0.211610 0.293015 -0.343722 -0.007713 5C 4s -0.235672 -1.705677 -1.104607 -0.961984 0.903939 0.354428 5C 5s -0.257739 -0.813163 -0.868336 0.040037 0.395761 0.154876 5C 1pz 0.033522 -0.003802 -0.006191 0.035724 -0.071794 0.021145 5C 1px 0.040129 0.045944 -0.023598 0.021728 -0.078358 0.024949 5C 1py -0.070865 -0.001692 0.005583 -0.062254 0.135035 -0.007073 5C 2pz -0.369076 -0.012046 0.110509 -0.335010 0.478396 -0.005789 5C 2px -0.388096 -0.190412 0.226190 0.178932 0.494928 0.180217 5C 2py 0.725355 0.043810 -0.185110 0.483453 -0.942448 -0.186499 5C 3pz 0.049139 0.129026 0.254953 -0.102986 -0.202862 0.712386 5C 3px -0.058640 0.164753 -0.165465 0.403013 0.371100 0.021549 5C 3py 0.011505 -0.149339 -0.429205 -0.176577 0.163526 -0.911402 5C 1dz2 0.033951 -0.020283 -0.032915 0.021141 -0.009660 0.041250 5C 1dxz -0.020505 0.012518 0.051812 -0.024923 -0.031549 0.107736 5C 1dyz 0.044009 -0.062855 -0.028173 -0.011376 -0.031839 -0.088584 5C 1dx2y2 0.036596 -0.006213 -0.008617 -0.015618 0.005704 0.025863 5C 1dxy 0.029191 -0.013683 0.002189 0.021979 -0.021379 0.001798 5C 2dz2 0.157387 0.114089 -0.008371 0.099217 -0.021044 -0.304650 5C 2dxz 0.153868 0.011038 0.017855 0.185895 -0.513020 0.111428 5C 2dyz -0.283013 0.227773 0.379493 0.049953 -0.151533 0.389152 5C 2dx2y2 -0.632170 -0.050921 0.350276 -0.261693 0.433767 0.527986 5C 2dxy -0.011045 0.042577 -0.196519 -0.200180 0.599883 -0.486332 5C 1f0 0.003635 0.008731 0.012649 0.015657 0.009695 0.017503 5C 1f+1 0.030653 0.002495 0.003441 0.021754 0.019620 -0.009330 5C 1f-1 -0.024353 -0.010901 0.029527 0.015754 -0.045082 0.042019 5C 1f+2 -0.065379 0.011577 -0.000817 -0.043633 -0.022553 0.048230 5C 1f-2 0.003477 -0.020402 -0.007967 -0.011402 0.049093 -0.048701 5C 1f+3 0.016868 0.006327 -0.002710 0.023000 -0.031510 -0.049837 5C 1f-3 -0.029260 -0.008972 -0.004246 0.000522 0.036358 0.019610 6C 1s 0.001428 -0.001479 -0.000145 0.004017 -0.004158 -0.001932 6C 2s 0.002101 -0.007509 -0.003057 0.013287 -0.014846 -0.008869 6C 3s -0.041983 0.358223 0.201526 -0.266045 0.345278 0.094373 6C 4s 0.041970 -1.734196 -1.045680 0.831029 -1.039918 0.057020 6C 5s 0.160343 -0.839738 -0.838185 -0.113031 -0.464453 0.042065 6C 1pz 0.034136 0.000667 0.005046 0.035753 -0.062277 -0.039479 6C 1px 0.036189 -0.047613 0.021419 0.022859 -0.065856 -0.043833 6C 1py -0.070278 0.007112 -0.002972 -0.063157 0.125361 0.042413 6C 2pz -0.374810 0.061341 -0.104521 -0.337131 0.447743 0.131809 6C 2px -0.370500 0.152268 -0.199045 0.143369 0.499659 -0.058513 6C 2py 0.727759 -0.110349 0.167691 0.499743 -0.930449 -0.063597 6C 3pz 0.021643 -0.102246 -0.276853 -0.140308 -0.031822 -0.738388 6C 3px -0.073155 -0.177027 0.137748 0.380792 0.356363 0.062068 6C 3py 0.050924 0.126219 0.475086 -0.119228 -0.048832 0.922815 6C 1dz2 -0.036226 -0.015756 -0.031025 -0.022086 -0.003371 0.042189 6C 1dxz 0.022934 0.008541 0.050804 0.029256 0.002061 0.110003 6C 1dyz -0.051207 -0.059843 -0.028197 0.004673 0.050988 -0.079335 6C 1dx2y2 -0.037084 -0.005689 -0.005911 0.014929 -0.013451 0.020736 6C 1dxy -0.031070 -0.006899 0.001775 -0.021857 0.018354 0.006432 6C 2dz2 -0.145025 0.117433 0.001477 -0.103334 0.103206 -0.281352 6C 2dxz -0.156332 0.036809 0.008328 -0.186476 0.458513 0.236877 6C 2dyz 0.314137 0.222664 0.355026 -0.010801 0.060750 0.417529 6C 2dx2y2 0.633487 -0.083492 0.323901 0.295930 -0.532954 0.393211 6C 2dxy 0.015797 0.012201 -0.182950 0.185428 -0.441267 -0.610068 6C 1f0 0.002285 -0.010096 -0.013755 0.014199 0.012812 -0.015792 6C 1f+1 0.029970 -0.005312 -0.005412 0.021735 0.014994 0.014430 6C 1f-1 -0.024093 0.011063 -0.029301 0.014830 -0.030948 -0.050243 6C 1f+2 -0.066536 -0.004227 0.003803 -0.044088 -0.008550 -0.052130 6C 1f-2 0.005534 0.020443 0.007057 -0.010250 0.034455 0.058042 6C 1f+3 0.015037 -0.006680 -0.000307 0.025050 -0.042742 0.037972 6C 1f-3 -0.028835 0.012640 0.002277 0.001416 0.040690 -0.009820 7C 1s -0.001578 0.000895 0.002748 -0.000357 -0.002095 0.000739 7C 2s -0.003778 0.005786 0.009733 -0.000438 -0.005674 0.005744 7C 3s 0.118887 -0.356749 -0.190161 0.023738 0.062761 -0.118442 7C 4s -0.372874 1.795872 0.572544 0.010755 0.158878 0.438137 7C 5s -0.425483 1.162969 0.072904 -0.225432 0.024972 -0.110223 7C 1pz -0.079335 0.014178 0.061142 -0.045449 -0.101622 -0.059315 7C 1px -0.034987 -0.007265 -0.009022 -0.012633 -0.042450 0.028060 7C 1py -0.055318 0.008431 0.029114 -0.030939 -0.075214 -0.002402 7C 2pz 0.858679 -0.139622 -0.305879 0.292747 0.853551 0.648324 7C 2px 0.081533 0.195133 -0.173770 0.250506 0.169282 0.055647 7C 2py 0.498594 -0.023782 -0.221833 0.255811 0.563827 0.313471 7C 3pz 0.183014 0.230869 0.511638 -0.544601 -0.251612 0.661057 7C 3px -0.078074 0.014426 -0.180291 0.171322 0.123332 0.226788 7C 3py 0.093290 0.180191 0.226538 -0.384228 -0.049866 0.625604 7C 1dz2 -0.005643 -0.011054 -0.010928 -0.000926 -0.044773 0.012043 7C 1dxz -0.017821 0.013571 -0.022899 0.018405 -0.042040 0.041264 7C 1dyz -0.074558 -0.045335 -0.026437 -0.005597 -0.031273 -0.080194 7C 1dx2y2 0.019959 0.005822 -0.010009 0.025309 -0.047438 0.097279 7C 1dxy -0.037773 -0.027628 -0.020516 -0.003082 -0.019284 -0.064506 7C 2dz2 0.417136 0.100003 -0.066631 0.277162 0.237753 0.360250 7C 2dxz 0.255372 -0.193592 -0.033917 -0.085469 0.542866 -0.035228 7C 2dyz 0.279501 0.218463 -0.010026 0.131664 0.307178 0.318875 7C 2dx2y2 -0.435176 0.069094 0.148063 -0.146033 -0.369276 -0.405031 7C 2dxy -0.140349 0.062357 0.064203 -0.201529 0.065434 -0.052768 7C 1f0 -0.026555 0.020486 0.002840 -0.013184 -0.017080 0.000660 7C 1f+1 -0.016950 0.008066 -0.002569 -0.018906 -0.011463 0.007880 7C 1f-1 -0.043124 0.001870 0.002739 -0.027158 -0.016943 -0.044894 7C 1f+2 0.032768 -0.027236 0.008068 0.019392 0.004315 -0.004408 7C 1f-2 0.024013 -0.025486 -0.001953 0.048393 -0.059312 -0.005470 7C 1f+3 0.018999 -0.008689 -0.005445 -0.017800 0.021242 0.009316 7C 1f-3 -0.007660 0.010624 0.021294 0.004464 -0.024632 -0.020225 8C 1s -0.002166 0.000154 0.000594 -0.000665 0.002540 0.002603 8C 2s -0.008638 -0.000021 0.001164 -0.003002 0.008133 0.005385 8C 3s -0.125702 -0.134194 -0.128620 0.025909 0.048800 -0.077364 8C 4s 1.160262 0.683047 0.737626 0.140055 -0.833348 0.266695 8C 5s -0.092055 0.305434 0.838315 0.075497 0.342947 1.090932 8C 1pz 0.070738 0.010032 0.017886 0.030477 -0.085485 -0.009600 8C 1px -0.007793 0.022567 0.028064 -0.006809 0.062395 0.066456 8C 1py -0.028318 -0.041454 -0.060136 0.012239 -0.020183 -0.034100 8C 2pz 0.476916 -0.174685 -0.102197 0.105968 -0.004663 0.149196 8C 2px -1.198970 -0.126750 -0.791717 -0.263478 0.111194 -1.294017 8C 2py 0.516234 0.143693 0.280031 0.238152 -0.596820 -0.365917 8C 3pz -0.133850 -0.050036 -0.105603 0.027812 0.070153 -0.072777 8C 3px 0.054911 -0.039574 -0.172034 -0.071045 -0.107019 -0.205580 8C 3py -0.022372 0.175779 0.129237 -0.038307 0.017824 0.169399 8C 1dz2 -0.020483 0.000141 -0.020538 -0.004518 -0.029219 -0.089865 8C 1dxz 0.090263 0.022871 0.059972 0.009165 0.011006 0.123991 8C 1dyz 0.044261 -0.034692 0.009532 0.016968 0.002574 -0.002720 8C 1dx2y2 -0.057234 -0.021519 -0.023152 -0.010864 0.016594 -0.025983 8C 1dxy -0.056294 -0.007123 0.006409 0.007306 -0.007962 -0.003745 8C 2dz2 0.092092 -0.042741 -0.029728 0.054072 -0.177291 0.030908 8C 2dxz -0.255634 -0.022012 -0.149884 0.006382 -0.171112 -0.460421 8C 2dyz -0.502608 0.010057 -0.156017 -0.118692 0.243573 -0.000954 8C 2dx2y2 0.097364 -0.044145 0.003585 0.014975 0.167737 0.163240 8C 2dxy 0.093135 -0.055376 -0.150406 -0.035597 -0.123175 -0.271944 8C 1f0 -0.052641 0.006661 0.009652 -0.033016 0.052344 0.029991 8C 1f+1 -0.083286 -0.000596 -0.024238 -0.024586 0.068939 0.015652 8C 1f-1 0.040469 -0.022127 -0.022576 0.046251 -0.068271 -0.078851 8C 1f+2 0.040754 0.027057 0.031802 0.019621 -0.016427 0.038469 8C 1f-2 0.063598 0.024053 0.019282 0.002964 -0.024789 0.001008 8C 1f+3 0.001891 -0.000081 0.033297 0.006531 0.019517 0.049390 8C 1f-3 0.100076 0.006142 0.048392 0.044240 -0.068000 0.070278 9C 1s 0.001207 -0.000180 -0.000975 0.000789 0.003038 0.000359 9C 2s 0.005477 -0.000246 -0.001840 0.002194 0.009477 0.002299 9C 3s 0.130085 0.139661 0.034114 0.041147 0.119139 0.194392 9C 4s -1.133306 -0.714535 -0.057039 -0.407365 -1.198429 -1.279453 9C 5s 0.208678 -0.639792 -0.391329 0.783368 0.441274 -0.563137 9C 1pz -0.042856 -0.044206 -0.004669 -0.008977 -0.034540 -0.067216 9C 1px 0.067664 -0.051837 -0.010938 0.003916 0.077807 -0.002454 9C 1py -0.032690 -0.033063 0.003986 -0.016248 -0.041645 -0.038485 9C 2pz 0.186710 0.328005 -0.161174 0.054431 0.783847 0.172341 9C 2px 1.156156 -0.176784 -0.112700 0.603883 0.257694 0.769131 9C 2py 0.431754 0.239964 -0.047651 0.225974 0.025654 0.679647 9C 3pz 0.012513 0.175845 0.116530 -0.173894 -0.002132 0.185473 9C 3px -0.085155 0.121841 0.084000 -0.110526 -0.065454 -0.015899 9C 3py 0.036595 0.106041 0.100694 -0.074763 -0.019168 0.080406 9C 1dz2 -0.019453 -0.032422 -0.016686 0.008413 -0.011261 -0.067883 9C 1dxz -0.071483 0.027542 -0.004543 -0.035405 -0.014192 -0.012464 9C 1dyz 0.011979 -0.031754 -0.032503 0.018841 -0.019956 0.013238 9C 1dx2y2 0.070013 0.006370 0.013469 0.029823 0.003384 0.063863 9C 1dxy -0.034763 0.004773 -0.006365 -0.017065 0.053004 -0.067129 9C 2dz2 -0.118662 -0.004367 0.056624 -0.000267 -0.168670 -0.077980 9C 2dxz 0.337154 -0.231171 -0.016288 0.098514 0.184975 0.001760 9C 2dyz -0.343402 0.014261 0.072082 -0.196332 -0.179786 -0.231594 9C 2dx2y2 -0.128428 0.060840 -0.077242 -0.118711 0.254574 -0.162260 9C 2dxy 0.201205 -0.107444 0.006786 0.043384 -0.048404 0.141890 9C 1f0 0.089910 0.010287 -0.000080 0.027331 -0.016990 0.131180 9C 1f+1 0.020674 -0.009544 -0.011257 0.015440 0.024225 -0.000122 9C 1f-1 0.005889 0.025934 0.009667 -0.009429 0.020800 0.015563 9C 1f+2 -0.095712 -0.000351 -0.002957 -0.021581 -0.098106 -0.039514 9C 1f-2 -0.050414 0.033316 0.017202 -0.008764 -0.061389 0.004051 9C 1f+3 -0.034276 -0.011823 -0.006674 -0.005219 -0.052298 -0.000375 9C 1f-3 0.081974 -0.031939 -0.010183 0.032103 0.072349 0.012367 10H 1s 0.112386 0.000877 0.008921 0.027886 0.145405 -0.017625 10H 2s -1.340236 -0.072334 0.090350 -0.512789 -0.576173 0.671329 10H 3s 0.404767 0.084046 -0.038037 0.192892 0.272495 -0.105577 10H 1pz -0.264548 0.014448 0.011092 -0.141378 -0.110532 0.162651 10H 1px 0.452501 0.059981 -0.020966 0.136266 0.222760 -0.186351 10H 1py -0.041344 0.040182 0.003650 -0.033162 0.023875 0.108808 11H 1s -0.067524 -0.031852 -0.012032 -0.029712 -0.095002 -0.024638 11H 2s 0.521951 0.287551 0.135757 0.274978 0.504283 0.274328 11H 3s -0.152544 -0.070442 -0.050764 -0.052376 -0.108027 -0.007336 11H 1pz 0.135098 0.066601 0.019371 0.042122 0.122089 0.060016 11H 1px 0.018194 0.062973 0.011603 0.039398 0.030893 0.119582 11H 1py -0.222700 -0.066195 -0.049978 -0.079655 -0.156791 0.016082 12H 1s -0.009086 -0.018609 -0.009231 0.000190 0.001734 0.020325 12H 2s 0.525777 0.132699 0.065048 0.283544 -0.259573 -0.631939 12H 3s -0.060726 -0.027421 -0.045754 -0.001719 0.080126 0.141373 12H 1pz -0.057157 -0.033687 -0.024920 -0.008053 -0.046419 -0.026718 12H 1px -0.084856 -0.005814 -0.016881 -0.005460 -0.184751 -0.063995 12H 1py 0.250132 0.047063 0.017916 0.098270 -0.050946 -0.236288 13H 1s -0.091425 0.023089 0.013182 -0.043225 0.154359 -0.002558 13H 2s 1.392586 -0.263882 -0.551825 0.236752 -0.118858 -0.993822 13H 3s -0.381195 0.085716 -0.017077 -0.003726 0.243729 0.073164 13H 1pz 0.318794 -0.067519 -0.182601 0.041451 0.064780 -0.281229 13H 1px -0.369035 0.042906 0.058687 -0.063136 0.189473 0.155688 13H 1py -0.209323 0.028628 0.133150 -0.082711 -0.030829 0.218877 14H 1s -0.030147 0.002567 0.008659 -0.039968 0.002928 0.032520 14H 2s -0.216499 0.017335 0.336629 0.034019 -0.423733 0.741549 14H 3s -0.002778 0.016586 -0.071368 -0.024716 0.124620 -0.122884 14H 1pz -0.168500 0.004608 0.089011 -0.058617 0.040356 0.235573 14H 1px 0.010611 0.006620 0.106656 0.029953 -0.249292 0.224748 14H 1py -0.039316 -0.008971 -0.001649 -0.008547 0.091543 -0.082950 15H 1s 0.060617 0.010947 0.026190 0.054502 -0.152180 0.002216 15H 2s -0.733967 -0.161149 0.002076 -0.317400 0.581848 -0.078527 15H 3s 0.250324 0.078860 -0.081777 0.135287 -0.133935 -0.093062 15H 1pz 0.205778 0.056109 -0.006549 0.110593 -0.186506 -0.019010 15H 1px 0.066292 -0.018863 -0.038502 0.000813 -0.077087 -0.060602 15H 1py 0.200077 0.040531 -0.006487 0.078054 -0.128785 0.024741 16H 1s -0.017480 -0.017156 0.018590 -0.053777 0.026794 -0.014487 16H 2s -0.304648 -0.859364 -1.392476 1.075986 0.346837 0.519626 16H 3s -0.090118 -0.115684 -0.155939 0.107121 0.149815 0.036386 16H 1pz -0.168554 -0.566188 -0.747446 0.514799 0.233613 0.267226 16H 1px 0.044544 0.038631 0.122592 -0.046903 -0.099274 -0.051295 16H 1py -0.168899 -0.183825 -0.447061 0.322887 0.088051 0.157792 17H 1s 0.011604 0.031314 0.019345 -0.048785 0.034157 -0.008460 17H 2s -0.444289 1.529228 -0.751856 1.025740 0.146026 -0.083279 17H 3s -0.005136 0.207178 -0.063464 0.110837 0.161685 0.006376 17H 1pz 0.092700 -0.539477 0.173952 -0.286367 -0.051852 0.056853 17H 1px 0.172925 -0.677344 0.263122 -0.323360 -0.159199 0.042777 17H 1py -0.233724 0.594993 -0.332329 0.376788 0.068715 -0.003338 18H 1s -0.006706 0.029753 0.021798 0.051143 -0.027760 -0.019233 18H 2s 0.552271 1.382147 -0.671707 -1.023118 -0.167615 -0.099431 18H 3s 0.022062 0.187024 -0.042100 -0.107011 -0.159879 -0.034564 18H 1pz 0.140020 0.502250 -0.153161 -0.292324 -0.049413 -0.063310 18H 1px 0.224839 0.611882 -0.228168 -0.319415 -0.158249 -0.078142 18H 1py -0.271880 -0.523253 0.296592 0.366866 0.081979 0.014035 19H 1s 0.016240 -0.016587 0.018251 0.055973 -0.018934 -0.023325 19H 2s 0.194738 -0.741767 -1.388108 -1.162281 -0.533885 0.421231 19H 3s 0.076871 -0.103822 -0.153355 -0.116806 -0.158669 -0.005232 19H 1pz -0.096841 0.490062 0.737326 0.553951 0.321919 -0.196885 19H 1px 0.041296 -0.036148 -0.127760 -0.058293 -0.115915 0.024257 19H 1py -0.143963 0.166777 0.458828 0.356411 0.152932 -0.136258 20H 1s -0.057943 0.018014 0.026915 -0.053914 0.142123 0.041430 20H 2s 0.717070 -0.218334 -0.014465 0.308482 -0.523771 -0.221624 20H 3s -0.244642 0.097147 -0.079318 -0.136029 0.146451 -0.056588 20H 1pz 0.200993 -0.072530 0.003474 0.108756 -0.180595 -0.029088 20H 1px 0.068963 0.014124 0.041242 0.005437 -0.089902 0.035910 20H 1py 0.196411 -0.055935 0.002948 0.075715 -0.114676 -0.056247 21H 1s 0.028557 0.002010 0.002422 0.041319 -0.007139 0.031601 21H 2s 0.238849 -0.025269 0.364339 -0.020196 0.182815 0.794026 21H 3s -0.003916 0.020825 -0.083620 0.023300 -0.080435 -0.148453 21H 1pz -0.172990 0.014295 -0.093054 -0.065110 0.102853 -0.209788 21H 1px 0.004742 0.000399 -0.114158 0.026938 -0.170420 -0.271062 21H 1py -0.041172 0.014257 -0.002957 -0.006392 0.066421 0.100849 22H 1s 0.095039 0.012136 0.015221 0.045636 -0.145954 -0.041963 22H 2s -1.443123 -0.122472 -0.550832 -0.274572 0.374931 -0.919048 22H 3s 0.392656 0.048026 -0.012874 0.005803 -0.257809 0.011393 22H 1pz 0.330679 0.036005 0.179775 0.053031 -0.012307 0.281777 22H 1px -0.379269 -0.004664 -0.064109 -0.067618 0.222139 -0.102934 22H 1py -0.216785 -0.009991 -0.125575 -0.092021 0.024464 -0.217180 23H 1s 0.009544 -0.020064 -0.008833 0.000346 -0.004789 0.019620 23H 2s -0.509341 0.231588 0.067081 -0.304492 0.370229 -0.530931 23H 3s 0.061920 -0.043149 -0.039749 0.007222 -0.105897 0.116488 23H 1pz -0.056071 0.039806 0.027369 -0.006748 -0.049899 0.011519 23H 1px -0.085070 0.000453 0.034771 -0.000908 -0.182959 0.008739 23H 1py 0.241252 -0.085022 -0.024104 0.105857 -0.097344 0.210705 24H 1s 0.060680 -0.036285 -0.021784 0.025890 0.091933 0.000882 24H 2s -0.470706 0.344877 0.200503 -0.255839 -0.536501 0.127293 24H 3s 0.135825 -0.087663 -0.067720 0.049462 0.101312 0.024077 24H 1pz 0.125399 -0.079152 -0.033458 0.039086 0.131386 -0.024487 24H 1px 0.009627 -0.072566 -0.018103 0.036298 0.058553 -0.104719 24H 1py -0.209990 0.083484 0.072043 -0.074588 -0.141323 -0.059245 25H 1s -0.111259 0.008407 0.021252 -0.028363 -0.132524 -0.056723 25H 2s 1.317421 -0.248941 0.004139 0.560190 0.421491 0.811708 25H 3s -0.395607 0.127033 -0.001487 -0.200283 -0.238578 -0.181764 25H 1pz -0.262867 0.024688 0.006560 -0.152692 -0.074565 -0.188395 25H 1px 0.442280 -0.111627 -0.010007 0.147042 0.173855 0.244001 25H 1py -0.041001 -0.028649 -0.006146 -0.039494 0.042202 -0.094226 26O 1s 0.002872 -0.000947 0.001023 -0.000134 0.001823 -0.001975 26O 2s 0.008038 -0.002313 0.003372 -0.001517 0.005893 -0.004476 26O 3s -0.002170 0.005542 -0.012673 0.043350 -0.017046 -0.008226 26O 4s -0.313857 0.106860 -0.038783 -0.286314 -0.085790 0.227919 26O 5s -0.437690 -0.779389 -0.178850 -0.311703 -0.642049 0.264324 26O 1pz 0.118796 -0.028868 0.043899 -0.036160 0.202540 -0.100643 26O 1px 0.000847 -0.011215 0.015003 -0.012576 -0.037494 -0.102976 26O 1py -0.005592 0.079725 -0.052617 0.022546 0.040240 0.225314 26O 2pz -0.074654 0.052624 -0.062552 0.063626 -0.159691 0.188465 26O 2px 0.247180 0.058499 0.039830 0.176657 0.206580 0.056918 26O 2py 0.146383 -0.095930 0.095293 0.025132 0.067697 -0.357572 26O 3pz 0.116486 -0.026179 0.137362 0.022648 0.205610 -0.103452 26O 3px 0.029216 0.295849 0.167104 0.086768 -0.064555 -0.186451 26O 3py 0.077569 0.190132 0.096675 0.216346 -0.046178 0.095766 26O 1dz2 -0.005956 0.001359 0.001490 -0.003886 -0.006428 -0.004743 26O 1dxz -0.003768 -0.000948 -0.000784 -0.002296 -0.002120 -0.002811 26O 1dyz -0.004479 -0.001847 -0.000009 -0.001990 -0.004275 -0.004089 26O 1dx2y2 0.006871 -0.003299 -0.001705 0.000643 0.007072 -0.001013 26O 1dxy 0.002409 -0.002293 -0.002958 0.001355 0.000925 0.002644 26O 2dz2 0.012707 0.010029 0.005190 0.013405 -0.036672 -0.072644 26O 2dxz -0.042953 -0.005625 -0.010779 -0.010938 -0.141940 -0.039590 26O 2dyz 0.013690 -0.058817 -0.015456 0.037178 -0.081075 -0.063744 26O 2dx2y2 0.012668 -0.063088 -0.020659 -0.037355 0.091606 0.017677 26O 2dxy 0.011129 -0.052686 -0.046109 0.012355 -0.036495 0.019869 26O 1f0 -0.000266 0.000200 0.001033 0.004880 -0.008152 -0.002129 26O 1f+1 0.001452 -0.004343 -0.003722 0.000701 -0.001999 -0.003504 26O 1f-1 0.003300 0.001687 -0.001607 0.000497 0.001711 0.006059 26O 1f+2 -0.001172 0.000611 -0.000300 -0.002131 -0.001726 0.001307 26O 1f-2 0.007136 -0.001723 -0.001366 -0.000491 0.008259 0.000064 26O 1f+3 -0.000971 -0.002793 -0.003861 0.000046 -0.002620 -0.007435 26O 1f-3 -0.011640 -0.003613 -0.001738 -0.008247 -0.005521 0.005387 27O 1s -0.004271 0.001152 -0.000879 -0.000312 0.002914 0.001677 27O 2s -0.012533 0.004027 -0.005229 -0.000872 0.010900 0.001486 27O 3s 0.022631 -0.030944 0.071754 -0.009267 -0.066787 0.071820 27O 4s 0.362716 -0.013587 -0.360339 0.105809 0.137905 -0.568621 27O 5s 0.422138 1.043009 0.282073 0.210105 -1.420777 -0.365419 27O 1pz 0.050727 -0.057064 -0.045116 0.045179 0.235557 -0.298532 27O 1px 0.030284 -0.035147 0.014367 0.005154 -0.015713 -0.004504 27O 1py 0.074404 -0.041527 -0.001069 0.127048 -0.126980 -0.131375 27O 2pz -0.063253 0.082029 0.057941 -0.082600 -0.248744 0.363927 27O 2px -0.332785 -0.046502 0.089571 -0.140594 0.229006 0.279917 27O 2py -0.009386 0.081357 0.013034 -0.093845 -0.004918 0.187871 27O 3pz -0.004094 0.064459 -0.129332 0.173876 0.179304 -0.292208 27O 3px -0.153477 -0.440392 -0.214799 0.215639 0.217339 0.275228 27O 3py 0.184206 -0.034542 0.107071 0.037767 -0.051446 0.018641 27O 1dz2 0.002347 0.000235 -0.006088 0.002236 0.000864 -0.002889 27O 1dxz 0.005130 -0.002148 -0.001809 0.004706 -0.000758 -0.001376 27O 1dyz -0.003745 -0.000761 -0.001113 -0.005498 0.007831 -0.004241 27O 1dx2y2 -0.006496 0.001065 0.001243 -0.007406 0.008940 -0.001995 27O 1dxy -0.002436 0.001068 -0.003135 -0.001157 0.005540 -0.004895 27O 2dz2 0.022267 -0.049721 -0.079383 0.017679 0.043627 0.006030 27O 2dxz -0.011411 -0.010328 -0.006844 0.009782 -0.135615 0.109014 27O 2dyz 0.051968 -0.043862 -0.041759 -0.022246 0.118245 -0.096275 27O 2dx2y2 0.034400 0.054422 -0.010031 -0.057911 0.078966 -0.107026 27O 2dxy 0.001570 -0.051758 -0.053902 -0.055465 0.218016 -0.080561 27O 1f0 -0.001133 -0.000823 0.000896 0.001372 -0.005228 0.002514 27O 1f+1 0.007230 0.004191 -0.002280 0.003545 -0.013917 -0.008023 27O 1f-1 -0.001435 0.000161 0.002117 -0.000588 0.000316 0.006102 27O 1f+2 0.004730 0.002279 0.006454 0.002228 -0.006951 0.010456 27O 1f-2 0.006627 -0.001111 -0.004156 0.004130 -0.002418 -0.003559 27O 1f+3 0.001011 0.005877 -0.002369 0.001218 -0.001137 -0.003515 27O 1f-3 -0.005416 -0.001654 -0.001640 -0.005684 0.005744 -0.000083 28O 1s 0.003280 0.001522 -0.002935 -0.001804 0.004366 0.002714 28O 2s 0.012097 0.004122 -0.010286 -0.005067 0.013669 0.006502 28O 3s -0.070656 -0.004476 0.069330 0.018370 -0.046515 -0.001793 28O 4s 0.091775 -0.038328 -0.091567 0.089669 -0.230869 -0.227439 28O 5s -1.349249 -0.907509 -0.165917 -0.192401 -0.636778 0.714874 28O 1pz -0.012854 -0.000815 0.042883 -0.011096 0.018870 -0.000252 28O 1px 0.018515 -0.036401 -0.010666 -0.005410 0.011169 -0.038120 28O 1py 0.061072 0.029465 -0.047340 0.126702 -0.094238 -0.017635 28O 2pz 0.202212 0.062193 -0.021267 0.049758 0.208837 -0.049085 28O 2px -0.130376 -0.057592 -0.012723 0.028055 -0.200388 -0.014807 28O 2py -0.003813 -0.034127 0.070549 -0.138538 0.191101 -0.011701 28O 3pz 0.152711 0.331887 -0.104092 -0.294828 -0.159501 0.067277 28O 3px -0.346426 -0.434785 -0.007004 0.102641 -0.019553 0.101976 28O 3py 0.001436 0.023777 -0.098415 0.089606 -0.266781 0.042642 28O 1dz2 -0.005494 0.003733 0.000117 -0.003478 -0.002454 0.009483 28O 1dxz 0.001094 0.002117 -0.003500 -0.000517 -0.004079 0.002298 28O 1dyz -0.008712 0.000714 0.000281 -0.002633 -0.010866 0.000885 28O 1dx2y2 -0.000401 -0.001849 0.000574 0.001105 0.004504 0.002328 28O 1dxy -0.003209 -0.001542 -0.000297 -0.002517 -0.000831 -0.000163 28O 2dz2 -0.162365 0.027699 -0.024141 -0.090724 -0.047115 0.173822 28O 2dxz 0.085018 0.110668 -0.020852 -0.009077 0.024787 0.026396 28O 2dyz -0.172054 -0.035482 -0.008469 -0.110274 -0.068206 0.041354 28O 2dx2y2 0.031891 -0.065904 -0.000209 0.058103 0.042984 -0.009995 28O 2dxy 0.036241 -0.008369 -0.006830 0.032901 0.007455 -0.041474 28O 1f0 -0.002135 -0.003246 -0.001784 0.002377 -0.000929 -0.001494 28O 1f+1 -0.006678 -0.001770 -0.002166 -0.002330 -0.008212 0.003608 28O 1f-1 0.006089 -0.001571 -0.000044 0.002182 0.007953 -0.005596 28O 1f+2 0.003874 0.006316 0.003067 0.001422 0.003183 0.003617 28O 1f-2 -0.004388 -0.001311 0.000182 -0.002909 -0.000546 0.000726 28O 1f+3 0.002787 0.003116 0.000790 0.001772 0.004935 0.002747 28O 1f-3 -0.003232 -0.002917 0.001283 -0.003034 0.004027 -0.001888 29O 1s -0.006183 0.006824 -0.010566 0.005039 0.011711 0.000550 29O 2s -0.015442 0.018488 -0.022459 0.005051 0.035407 -0.000743 29O 3s -0.024028 -0.012010 -0.163144 0.243954 -0.128440 0.064878 29O 4s 0.316418 -0.220371 0.908724 -0.959664 -0.060019 -0.233595 29O 5s 0.369224 -0.414462 1.118929 -0.946937 -0.383838 -0.155876 29O 1pz -0.039286 -0.463345 -0.216154 0.045692 0.108490 0.110918 29O 1px -0.028322 -0.254526 0.083596 0.004726 -0.261377 0.022778 29O 1py -0.254042 0.204963 -0.528931 0.585164 -0.020690 0.120998 29O 2pz 0.027154 -0.297527 -0.143545 0.126897 -0.057495 0.108548 29O 2px 0.203041 -0.142146 0.161890 -0.339310 0.299068 -0.017767 29O 2py 0.151365 -0.019397 0.258689 -0.382861 0.192728 -0.100474 29O 3pz -0.040193 -0.880980 -0.414818 0.145758 0.263575 0.256191 29O 3px 0.016982 -0.426391 0.138216 -0.190487 -0.272981 0.020718 29O 3py -0.218421 0.307623 -0.733004 0.866599 0.080025 0.164347 29O 1dz2 -0.002492 -0.014540 -0.015134 0.009425 0.005710 0.005130 29O 1dxz -0.004041 0.019548 -0.002266 0.004900 -0.001250 -0.003407 29O 1dyz 0.001053 -0.021831 -0.009244 0.005042 0.000321 0.006330 29O 1dx2y2 0.001926 0.003622 0.004272 -0.000251 -0.001897 -0.001904 29O 1dxy 0.004575 -0.015154 0.009239 -0.012723 -0.001310 -0.000685 29O 2dz2 0.170528 0.136529 0.407839 -0.276768 -0.118113 -0.144120 29O 2dxz 0.105647 -0.328558 0.177366 -0.174778 -0.124587 -0.007010 29O 2dyz -0.022225 0.554819 0.123533 0.008828 -0.045320 -0.109396 29O 2dx2y2 0.054894 -0.075589 0.018354 -0.024350 0.065543 0.004864 29O 2dxy -0.047369 0.265355 -0.069120 0.108308 0.033577 -0.044262 29O 1f0 -0.013599 0.007994 -0.038868 0.035237 0.012428 0.008614 29O 1f+1 0.005095 -0.011254 0.011787 -0.012311 -0.004002 -0.001519 29O 1f-1 -0.015803 -0.018480 -0.054621 0.044728 0.011497 0.017338 29O 1f+2 0.004458 0.009555 0.019130 -0.014240 -0.008904 -0.006847 29O 1f-2 -0.012309 0.055835 -0.017851 0.030138 0.003452 -0.003978 29O 1f+3 0.007280 -0.018226 0.009582 -0.012242 -0.002080 0.000521 29O 1f-3 0.005159 -0.025349 0.004446 -0.006510 -0.004466 0.002933 30O 1s -0.001734 0.000397 -0.001543 -0.001235 0.007192 -0.001838 30O 2s -0.007790 0.001094 -0.002304 -0.004805 0.021219 -0.000407 30O 3s 0.064149 -0.009338 -0.030874 0.021241 -0.058832 -0.087996 30O 4s -0.199945 -0.019486 0.255530 -0.005197 -0.416807 0.669836 30O 5s 0.850418 0.659075 0.095005 1.310856 -0.554559 -1.257769 30O 1pz -0.056984 -0.046479 0.108032 0.044644 -0.009562 0.039335 30O 1px -0.084760 0.009508 0.082454 -0.016624 -0.056606 0.107826 30O 1py 0.026317 -0.011629 0.076023 0.024690 0.008489 0.023484 30O 2pz -0.000007 0.033631 -0.194392 -0.181293 0.226502 -0.067914 30O 2px 0.112634 0.043546 0.004318 0.122358 -0.178316 0.044161 30O 2py 0.082794 0.038967 -0.096858 0.098381 -0.265150 -0.050196 30O 3pz 0.002619 -0.236022 0.004064 -0.029830 -0.035609 0.111391 30O 3px 0.050060 0.274313 0.303887 0.379521 -0.213038 -0.099850 30O 3py 0.012226 0.196762 0.134924 0.167343 0.208654 -0.069721 30O 1dz2 -0.001025 -0.000544 0.001987 0.000174 0.001059 0.007424 30O 1dxz 0.000248 -0.002875 0.000394 0.001632 -0.008048 0.003861 30O 1dyz -0.009191 -0.003190 0.005308 -0.008297 0.007095 0.009080 30O 1dx2y2 -0.002821 0.002432 0.006729 -0.000558 0.004817 0.008729 30O 1dxy -0.002353 0.002831 -0.001520 -0.003940 0.008587 0.001358 30O 2dz2 0.023159 -0.023721 -0.016418 0.012653 0.033153 -0.006134 30O 2dxz 0.019878 -0.053265 -0.052622 -0.015378 -0.026049 0.020226 30O 2dyz -0.203761 -0.079480 0.060246 -0.148594 0.040055 0.178686 30O 2dx2y2 -0.173909 0.041330 0.169917 -0.049183 -0.037723 0.234379 30O 2dxy -0.001902 0.035721 0.026168 0.010683 -0.012301 0.039760 30O 1f0 0.003767 0.001734 0.000454 0.007766 -0.016038 -0.004143 30O 1f+1 -0.001049 0.002080 0.002396 -0.003379 -0.004135 -0.001896 30O 1f-1 0.005017 -0.000937 -0.000707 0.001310 0.000208 -0.005443 30O 1f+2 0.005235 -0.003754 -0.005418 0.001811 0.001209 -0.011482 30O 1f-2 -0.005093 -0.001968 -0.004631 -0.001792 0.007675 -0.008091 30O 1f+3 0.006205 -0.001966 -0.000072 -0.000710 0.002128 0.001147 30O 1f-3 -0.003019 -0.003115 -0.002358 -0.006786 -0.000862 -0.001979 31O 1s 0.001772 0.000208 -0.001302 0.001035 -0.006448 -0.003671 31O 2s 0.007955 0.000291 -0.001632 0.004337 -0.020351 -0.006103 31O 3s -0.066307 -0.004423 -0.032863 -0.021808 0.079938 -0.066502 31O 4s 0.203192 -0.026105 0.243608 0.022201 0.223017 0.734387 31O 5s -0.793992 0.807390 0.081825 -1.284317 0.872486 -1.011445 31O 1pz -0.053285 0.046310 -0.106567 0.041501 -0.001659 -0.035416 31O 1px -0.086426 -0.005960 -0.076711 -0.021124 -0.027908 -0.116820 31O 1py 0.025993 0.009415 -0.077813 0.022137 0.014337 -0.014797 31O 2pz -0.001435 -0.018943 0.190977 -0.173879 0.203387 0.117702 31O 2px 0.107748 -0.059036 -0.004612 0.117378 -0.158175 -0.088538 31O 2py 0.081033 -0.052589 0.100521 0.101871 -0.266921 -0.028384 31O 3pz 0.019638 0.246503 -0.026774 -0.007537 0.007629 -0.112197 31O 3px 0.022991 -0.320099 -0.277217 0.346014 -0.248649 0.020654 31O 3py -0.001804 -0.220859 -0.114952 0.135450 0.167218 0.127325 31O 1dz2 0.000998 -0.000717 0.002214 -0.000048 -0.003113 0.006627 31O 1dxz -0.000491 -0.003095 0.000491 -0.001734 0.006595 0.005750 31O 1dyz 0.008992 -0.004323 0.004931 0.008614 -0.009064 0.006710 31O 1dx2y2 0.003143 0.002630 0.006521 0.001326 -0.006738 0.007210 31O 1dxy 0.002544 0.002724 -0.001635 0.004072 -0.008638 -0.000880 31O 2dz2 -0.025381 -0.023725 -0.010396 -0.014833 -0.032856 -0.016319 31O 2dxz -0.025386 -0.057950 -0.048249 0.008849 0.014613 0.024726 31O 2dyz 0.197266 -0.100739 0.052807 0.150778 -0.083862 0.153689 31O 2dx2y2 0.181445 0.034018 0.160325 0.064362 -0.020458 0.231644 31O 2dxy 0.003900 0.042152 0.019831 -0.004980 0.002745 0.039279 31O 1f0 0.003504 -0.002499 -0.000355 0.007771 -0.016422 -0.000234 31O 1f+1 -0.001252 -0.001832 -0.002040 -0.003505 -0.004472 0.000742 31O 1f-1 0.005093 0.000502 0.000470 0.001510 -0.001186 0.005156 31O 1f+2 0.005611 0.003500 0.004926 0.002518 -0.001840 0.011271 31O 1f-2 -0.004865 0.002481 0.004509 -0.001389 0.005228 0.009598 31O 1f+3 0.006370 0.001748 -0.000281 -0.000623 0.002486 -0.000340 31O 1f-3 -0.002622 0.003860 0.002414 -0.006307 -0.001040 0.002050 32O 1s 0.006540 0.006354 -0.009839 -0.005247 -0.011651 -0.002746 32O 2s 0.016619 0.017160 -0.020593 -0.005315 -0.034027 -0.010840 32O 3s 0.017255 -0.009535 -0.161810 -0.252994 0.092354 0.105018 32O 4s -0.308287 -0.207713 0.877510 0.996678 0.174385 -0.230535 32O 5s -0.377591 -0.405951 1.065771 0.984076 0.453213 -0.052595 32O 1pz 0.012779 0.419560 0.216599 0.051294 0.136692 -0.072096 32O 1px -0.005137 0.230739 -0.068313 0.003069 -0.245361 -0.092669 32O 1py -0.257351 -0.182576 0.512463 0.603987 0.043639 -0.136086 32O 2pz 0.052194 0.259105 0.156788 0.149128 -0.021004 -0.127578 32O 2px 0.206548 0.126801 -0.162028 -0.341975 0.263959 0.105035 32O 2py 0.149393 0.030299 -0.251015 -0.391679 0.141697 0.156478 32O 3pz 0.052399 0.792157 0.421153 0.168986 0.329707 -0.171775 32O 3px 0.051779 0.378712 -0.112017 -0.192834 -0.267505 -0.085733 32O 3py -0.223078 -0.274303 0.701657 0.894126 0.164268 -0.156754 32O 1dz2 0.000945 -0.011930 -0.014929 -0.010390 -0.007371 0.003347 32O 1dxz 0.005740 0.018019 -0.001481 -0.004606 0.001855 -0.002937 32O 1dyz -0.003061 -0.019487 -0.010209 -0.006271 -0.002461 0.006165 32O 1dx2y2 -0.001383 0.003641 0.004498 0.000447 0.002495 -0.001296 32O 1dxy -0.005505 -0.013285 0.008327 0.012651 0.001979 -0.000587 32O 2dz2 -0.153405 0.093611 0.397693 0.295128 0.167036 -0.104825 32O 2dxz -0.131947 -0.308648 0.155367 0.174852 0.129048 0.026643 32O 2dyz 0.065695 0.497725 0.160389 0.024770 0.080694 -0.095696 32O 2dx2y2 -0.063494 -0.083763 0.015519 0.023057 -0.064516 -0.009477 32O 2dxy 0.063425 0.227928 -0.053432 -0.101596 -0.024859 -0.047955 32O 1f0 -0.012480 -0.008630 0.034265 0.033988 0.015025 -0.004666 32O 1f+1 0.006645 0.012072 -0.012427 -0.014443 -0.005365 0.000564 32O 1f-1 -0.013389 0.014554 0.055246 0.049168 0.018684 -0.014339 32O 1f+2 0.003967 -0.007482 -0.020903 -0.017473 -0.011912 0.004775 32O 1f-2 -0.016393 -0.050750 0.014221 0.028955 0.003181 0.004263 32O 1f+3 0.007958 0.014344 -0.008240 -0.011334 -0.002318 -0.000518 32O 1f-3 0.007152 0.022954 -0.002976 -0.005809 -0.003674 -0.003925 33O 1s -0.003162 0.001523 -0.002531 0.001693 -0.004902 0.001228 33O 2s -0.011770 0.004388 -0.008943 0.004538 -0.015100 0.001931 33O 3s 0.070576 -0.007818 0.062851 -0.012854 0.051039 0.013283 33O 4s -0.093295 -0.017736 -0.094945 -0.106538 0.248767 -0.147421 33O 5s 1.239454 -1.091075 -0.227729 0.191802 0.453219 0.862584 33O 1pz -0.012949 0.000668 -0.041306 -0.012956 0.012791 0.007708 33O 1px 0.020891 0.031451 0.011146 0.000075 0.003843 0.041887 33O 1py 0.055019 -0.038951 0.041123 0.127003 -0.088576 -0.013153 33O 2pz 0.192029 -0.076441 0.000470 0.049688 0.189272 0.103392 33O 2px -0.122442 0.072685 0.022672 0.027504 -0.190184 -0.047802 33O 2py 0.003260 0.039407 -0.069833 -0.138220 0.173170 0.069157 33O 3pz 0.124674 -0.374957 0.126517 -0.288067 -0.119894 -0.081451 33O 3px -0.302678 0.482225 0.015401 0.109075 0.002444 -0.109652 33O 3py -0.000559 -0.033324 0.100296 0.097269 -0.231602 -0.102191 33O 1dz2 0.005722 0.003433 -0.000413 0.003851 0.000251 0.009806 33O 1dxz -0.001052 0.002665 -0.003843 0.000408 0.002892 0.003383 33O 1dyz 0.008711 0.000097 -0.000673 0.002726 0.010467 0.003784 33O 1dx2y2 0.000213 -0.002340 0.001018 -0.000962 -0.004649 0.001025 33O 1dxy 0.002968 -0.001812 -0.000647 0.002481 0.000789 -0.000047 33O 2dz2 0.159761 0.008849 -0.033461 0.097585 0.006847 0.177245 33O 2dxz -0.075057 0.125792 -0.020165 0.010416 -0.032475 0.016074 33O 2dyz 0.165152 -0.055741 -0.023125 0.111260 0.061183 0.053583 33O 2dx2y2 -0.036569 -0.063782 0.006303 -0.061146 -0.039521 -0.019329 33O 2dxy -0.037424 0.000791 -0.004699 -0.036109 -0.000851 -0.043707 33O 1f0 -0.001774 0.003766 0.001629 0.002517 -0.001444 0.001352 33O 1f+1 -0.006194 0.002431 0.002840 -0.002271 -0.006803 -0.005697 33O 1f-1 0.006140 0.001333 -0.000713 0.002468 0.006578 0.007445 33O 1f+2 0.003108 -0.006924 -0.003358 0.000957 0.003461 -0.002417 33O 1f-2 -0.004495 0.001577 0.000168 -0.002923 -0.000217 -0.000967 33O 1f+3 0.002306 -0.003447 -0.001244 0.001524 0.005076 -0.001241 33O 1f-3 -0.003055 0.003089 -0.001052 -0.002987 0.003335 0.002918 34O 1s 0.004265 0.000866 -0.000828 0.000553 -0.003137 0.000893 34O 2s 0.012506 0.003185 -0.004958 0.001474 -0.010558 -0.001199 34O 3s -0.022918 -0.028790 0.067077 0.009368 0.044180 0.083529 34O 4s -0.368477 0.006794 -0.329843 -0.132045 0.011881 -0.567239 34O 5s -0.323773 0.999250 0.260843 -0.201296 1.450072 -0.002947 34O 1pz 0.055406 0.052107 0.035541 0.053328 0.144472 0.341694 34O 1px 0.032716 0.032638 -0.015290 0.007920 -0.016097 0.001339 34O 1py 0.077776 0.029045 -0.001822 0.132048 -0.156720 0.087690 34O 2pz -0.070578 -0.074051 -0.047335 -0.093533 -0.140019 -0.406624 34O 2px -0.327597 0.061908 -0.076124 -0.155525 0.288127 -0.206215 34O 2py -0.016781 -0.071471 -0.011359 -0.100393 0.047862 -0.174136 34O 3pz -0.006605 -0.067035 0.119808 0.183721 0.100159 0.328705 34O 3px -0.102935 0.410006 0.200753 0.226046 0.293335 -0.208847 34O 3py 0.181234 0.019152 -0.115147 0.036935 -0.051523 -0.040702 34O 1dz2 -0.002471 0.000635 -0.006086 -0.002557 -0.000290 -0.002844 34O 1dxz -0.005401 -0.001466 -0.001625 -0.004811 0.001053 -0.000992 34O 1dyz 0.003590 -0.001092 -0.001204 0.005331 -0.006358 -0.006082 34O 1dx2y2 0.006652 0.000126 0.001065 0.007414 -0.007815 -0.004415 34O 1dxy 0.002514 0.000773 -0.003070 0.000855 -0.004039 -0.005992 34O 2dz2 -0.029174 -0.042233 -0.077555 -0.021631 -0.046503 -0.003809 34O 2dxz 0.009198 -0.010841 -0.010994 -0.010735 0.098758 0.136567 34O 2dyz -0.057248 -0.041420 -0.035493 0.017553 -0.088500 -0.119609 34O 2dx2y2 -0.028877 0.047093 -0.009086 0.057094 -0.045410 -0.121338 34O 2dxy -0.007913 -0.049159 -0.052708 0.053517 -0.185075 -0.129600 34O 1f0 -0.001035 0.000625 -0.000600 0.001343 -0.004397 -0.003727 34O 1f+1 0.006795 -0.004619 0.002242 0.003781 -0.015222 0.003905 34O 1f-1 -0.001456 0.000037 -0.002080 -0.000779 0.001843 -0.005646 34O 1f+2 0.004359 -0.002446 -0.006582 0.001761 -0.004057 -0.011840 34O 1f-2 0.006884 0.000581 0.003868 0.004466 -0.003114 0.002886 34O 1f+3 0.000439 -0.005487 0.002187 0.001292 -0.002158 0.002969 34O 1f-3 -0.005156 0.002346 0.001951 -0.005595 0.005421 0.001388 35O 1s -0.002901 -0.000833 0.001357 0.000253 -0.001043 -0.002409 35O 2s -0.008133 -0.002131 0.004388 0.001989 -0.003690 -0.006014 35O 3s 0.003618 0.008694 -0.014616 -0.047107 0.010788 -0.001250 35O 4s 0.313024 0.071933 -0.063212 0.298318 0.049103 0.229147 35O 5s 0.373667 -0.711156 -0.288673 0.261920 0.526596 0.443788 35O 1pz 0.117968 0.022567 -0.054897 -0.035582 0.164710 0.150802 35O 1px -0.000950 0.007281 -0.011105 -0.010081 -0.058980 0.086466 35O 1py -0.008323 -0.071581 0.046769 0.017143 0.093451 -0.201518 35O 2pz -0.073994 -0.044917 0.066383 0.060525 -0.102305 -0.223049 35O 2px 0.240234 -0.065170 -0.073966 0.169968 0.212787 0.000570 35O 2py 0.147247 0.080175 -0.103132 0.031498 -0.022250 0.356047 35O 3pz 0.113792 0.017280 -0.150175 0.012782 0.157465 0.145705 35O 3px 0.003608 -0.253938 -0.191132 0.058764 -0.108412 0.159015 35O 3py 0.065311 -0.167059 -0.123057 0.194341 -0.025832 -0.111587 35O 1dz2 0.006164 0.000755 0.000758 0.003920 0.007339 -0.002915 35O 1dxz 0.003661 -0.001468 -0.001073 0.002340 0.002594 -0.002095 35O 1dyz 0.004214 -0.002231 -0.000459 0.001862 0.004891 -0.002648 35O 1dx2y2 -0.007053 -0.002245 -0.001392 -0.000979 -0.006713 -0.002778 35O 1dxy -0.002646 -0.001954 -0.002833 -0.001502 -0.001833 0.002381 35O 2dz2 -0.010807 0.007944 0.005651 -0.013184 0.051290 -0.057797 35O 2dxz 0.043112 -0.002618 -0.021452 0.008352 0.140143 0.002191 35O 2dyz -0.020720 -0.052605 -0.018691 -0.042442 0.086246 -0.034680 35O 2dx2y2 -0.018494 -0.059506 -0.021996 0.032993 -0.089459 -0.008970 35O 2dxy -0.015329 -0.040740 -0.050218 -0.017137 0.025800 0.031561 35O 1f0 -0.000279 -0.000290 -0.001066 0.004782 -0.008334 -0.000285 35O 1f+1 0.001946 0.003897 0.003913 0.001239 -0.002654 0.002731 35O 1f-1 0.003343 -0.001813 0.001277 0.000355 0.002852 -0.005361 35O 1f+2 -0.001300 -0.000529 0.000629 -0.002162 -0.001362 -0.001820 35O 1f-2 0.007391 0.001098 0.000899 -0.000192 0.008209 0.002363 35O 1f+3 -0.000636 0.002457 0.004056 0.000539 -0.004249 0.006703 35O 1f-3 -0.011013 0.004220 0.003116 -0.008044 -0.003888 -0.006528 456 457 458 459 460 461 2.66660 2.67930 2.69109 2.69491 2.70917 2.71132 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s -0.000791 0.001465 -0.001010 0.000258 0.000810 0.000779 0Rh 2s 0.001773 -0.005609 0.007807 -0.015649 -0.009506 -0.008313 0Rh 3s -0.003599 0.005249 -0.001223 -0.008000 -0.000999 -0.000449 0Rh 4s -0.009146 0.029123 -0.040671 0.081127 0.049135 0.043280 0Rh 5s 0.000124 -0.033729 0.079763 -0.206868 -0.103547 -0.092728 0Rh 6s 0.070120 -0.069763 -0.056704 0.322745 0.094053 0.090544 0Rh 7s -0.400553 0.567293 0.129427 -1.170136 -0.498693 -0.179053 0Rh 8s 0.164349 0.071857 0.031564 0.467101 0.214875 -0.109593 0Rh 1pz -0.007752 0.011312 -0.004729 0.000843 0.003227 -0.010036 0Rh 1px -0.002852 0.008071 0.000080 -0.004581 0.000412 -0.000826 0Rh 1py -0.004432 -0.002501 -0.006747 -0.000108 0.002949 -0.005742 0Rh 2pz 0.028293 -0.041484 0.016952 -0.002820 -0.011325 0.035779 0Rh 2px 0.010091 -0.028526 -0.000526 0.015539 -0.002983 0.003307 0Rh 2py 0.015966 0.009311 0.024442 0.000096 -0.010993 0.020283 0Rh 3pz -0.036119 0.057055 -0.014879 -0.001824 0.004518 -0.026995 0Rh 3px -0.006237 0.016180 0.005442 0.005320 0.034549 -0.010289 0Rh 3py -0.016358 -0.015313 -0.026908 0.006015 0.019078 -0.011324 0Rh 4pz -0.048529 0.053520 -0.059248 0.028072 0.063863 -0.143923 0Rh 4px -0.045394 0.138901 -0.018178 -0.134887 -0.123242 0.019690 0Rh 4py -0.041601 -0.004129 -0.062393 -0.025079 -0.004425 -0.098153 0Rh 5pz 0.074066 -0.068792 0.105602 -0.053013 -0.127118 0.263245 0Rh 5px 0.079106 -0.267305 0.029338 0.254562 0.244949 -0.036679 0Rh 5py 0.054575 0.007473 0.105953 0.040139 0.030828 0.184229 0Rh 6pz 0.141857 -0.375746 0.229914 0.077246 0.112427 -0.083298 0Rh 6px -0.033110 0.213662 0.022091 -0.366329 -0.626002 0.090309 0Rh 6py 0.167675 0.434394 0.343467 0.069790 -0.272556 -0.253080 0Rh 1dz2 0.008528 0.000747 -0.016244 -0.010267 0.003972 -0.017974 0Rh 1dxz -0.008330 0.007811 0.012993 -0.010682 0.007748 -0.000215 0Rh 1dyz 0.026856 0.006851 -0.007959 -0.011143 0.018165 -0.002133 0Rh 1dx2y2 0.009052 0.001110 -0.017118 0.019040 -0.013207 0.019374 0Rh 1dxy 0.006249 -0.005758 -0.006798 -0.006939 0.013595 0.017263 0Rh 2dz2 -0.002985 -0.002955 0.002110 0.002364 -0.000933 0.000502 0Rh 2dxz -0.000441 -0.001412 0.000581 0.002106 0.000808 0.002164 0Rh 2dyz -0.002138 -0.001045 0.009534 0.002667 -0.004055 0.001482 0Rh 2dx2y2 -0.002844 0.000342 0.000700 -0.002502 -0.001755 -0.001348 0Rh 2dxy -0.002584 -0.000881 0.003810 -0.001060 -0.001122 0.001074 0Rh 3dz2 -0.011497 0.010925 0.037379 0.018895 -0.006970 0.050046 0Rh 3dxz 0.025752 -0.016309 -0.040328 0.021441 -0.026307 -0.009316 0Rh 3dyz -0.067435 -0.014799 -0.020928 0.020108 -0.034333 -0.000611 0Rh 3dx2y2 -0.013478 -0.005112 0.046467 -0.043923 0.046725 -0.050227 0Rh 3dxy -0.006351 0.020689 0.002239 0.024967 -0.034395 -0.055324 0Rh 4dz2 -0.036948 -0.039388 0.030294 0.035330 -0.019184 0.003073 0Rh 4dxz -0.003404 -0.018534 0.011611 0.029089 0.014290 0.034887 0Rh 4dyz -0.032729 -0.018855 0.153939 0.039573 -0.059052 0.023436 0Rh 4dx2y2 -0.037290 0.010670 0.006648 -0.031333 -0.034409 -0.016495 0Rh 4dxy -0.037000 -0.014565 0.059261 -0.016929 -0.015174 0.022866 0Rh 5dz2 0.142438 0.104510 -0.248724 -0.232014 0.162295 -0.205004 0Rh 5dxz -0.097859 0.124936 0.102761 -0.203512 0.047464 -0.137815 0Rh 5dyz 0.374018 0.151208 -0.660320 -0.250044 0.399857 -0.106811 0Rh 5dx2y2 0.186910 -0.067507 -0.204059 0.275927 -0.001497 0.281443 0Rh 5dxy 0.170365 -0.020628 -0.285894 -0.023408 0.194461 0.098149 0Rh 1f0 0.001119 0.048447 0.037455 0.026453 -0.026662 -0.004219 0Rh 1f+1 0.035254 -0.013088 0.037594 -0.013905 -0.005494 0.057333 0Rh 1f-1 0.095176 -0.092887 0.065565 0.004506 -0.053841 0.139173 0Rh 1f+2 -0.070272 0.130410 -0.019143 -0.035764 0.016506 -0.079811 0Rh 1f-2 0.069018 0.019653 0.091069 -0.011577 -0.026693 0.061939 0Rh 1f+3 0.004640 -0.067541 -0.037852 -0.025693 0.003914 0.047192 0Rh 1f-3 -0.019180 0.003121 0.011717 -0.015655 -0.005723 0.040195 1Rh 1s -0.000907 0.001639 0.001025 0.000280 0.001002 -0.000679 1Rh 2s 0.002586 -0.006821 -0.007609 -0.015748 -0.011309 0.007505 1Rh 3s -0.003791 0.005544 0.001436 -0.007928 -0.000956 0.000548 1Rh 4s -0.013373 0.035429 0.039642 0.081643 0.058529 -0.039098 1Rh 5s 0.008038 -0.045523 -0.076552 -0.207589 -0.123087 0.084831 1Rh 6s 0.065764 -0.063358 0.049869 0.322248 0.111452 -0.086747 1Rh 7s -0.395241 0.559876 -0.098325 -1.166663 -0.533129 0.158254 1Rh 8s 0.177524 0.053307 -0.043134 0.467976 0.197871 0.117204 1Rh 1pz 0.007867 -0.011669 -0.005004 -0.001082 -0.002418 -0.010282 1Rh 1px 0.002818 -0.008085 -0.000084 0.004614 -0.000404 -0.001010 1Rh 1py 0.004216 0.002888 -0.006852 -0.000035 -0.002492 -0.005985 1Rh 2pz -0.028717 0.042768 0.017966 0.003667 0.008455 0.036641 1Rh 2px -0.009967 0.028571 0.000039 -0.015649 0.002882 0.004083 1Rh 2py -0.015197 -0.010703 0.024814 0.000413 0.009392 0.021190 1Rh 3pz 0.036766 -0.058308 -0.016367 0.001262 -0.002642 -0.027330 1Rh 3px 0.006070 -0.016102 0.005376 -0.005417 -0.032891 -0.013424 1Rh 3py 0.015823 0.016619 -0.027112 -0.006401 -0.018440 -0.012898 1Rh 4pz 0.048926 -0.057547 -0.060155 -0.031619 -0.051221 -0.148833 1Rh 4px 0.045062 -0.139334 -0.021956 0.136248 0.116990 0.027168 1Rh 4py 0.038218 0.008825 -0.064077 0.023039 0.013256 -0.097794 1Rh 5pz -0.075033 0.076299 0.106345 0.058550 0.104799 0.273162 1Rh 5px -0.077696 0.266714 0.036358 -0.258003 -0.233315 -0.051686 1Rh 5py -0.047707 -0.016916 0.108493 -0.036422 -0.047537 0.181563 1Rh 6pz -0.143374 0.380185 0.249485 -0.062957 -0.114311 -0.105812 1Rh 6px 0.017768 -0.186211 0.017255 0.388469 0.603009 0.131191 1Rh 6py -0.181654 -0.419483 0.335416 -0.069588 0.313526 -0.219425 1Rh 1dz2 0.009468 -0.000310 0.015837 -0.009817 0.001528 0.018411 1Rh 1dxz -0.007879 0.007014 -0.012434 -0.010688 0.005713 0.000843 1Rh 1dyz 0.026996 0.006303 0.006406 -0.010991 0.017755 0.004116 1Rh 1dx2y2 0.008944 0.001510 0.016669 0.018697 -0.009488 -0.020826 1Rh 1dxy 0.006126 -0.005881 0.006317 -0.007124 0.014793 -0.015887 1Rh 2dz2 -0.002967 -0.002916 -0.002126 0.002278 -0.000814 -0.000627 1Rh 2dxz -0.000354 -0.001516 -0.000628 0.002053 0.000965 -0.002121 1Rh 2dyz -0.002302 -0.000673 -0.009331 0.002494 -0.003807 -0.001931 1Rh 2dx2y2 -0.002912 0.000510 -0.000642 -0.002456 -0.001906 0.001239 1Rh 2dxy -0.002708 -0.000656 -0.003671 -0.001112 -0.001130 -0.001177 1Rh 3dz2 -0.014295 0.013799 -0.036154 0.017985 -0.000405 -0.050708 1Rh 3dxz 0.024051 -0.013520 0.038917 0.021701 -0.021090 0.007289 1Rh 3dyz -0.067083 -0.014933 0.024509 0.020463 -0.034277 -0.003107 1Rh 3dx2y2 -0.012859 -0.007032 -0.045450 -0.043139 0.036594 0.054993 1Rh 3dxy -0.005431 0.020017 -0.001479 0.025745 -0.037859 0.051794 1Rh 4dz2 -0.036427 -0.038918 -0.030224 0.034090 -0.017904 -0.005578 1Rh 4dxz -0.001986 -0.020398 -0.012106 0.028279 0.016215 -0.034154 1Rh 4dyz -0.035387 -0.012830 -0.151133 0.036901 -0.055217 -0.030024 1Rh 4dx2y2 -0.038326 0.013326 -0.005576 -0.030697 -0.035829 0.013877 1Rh 4dxy -0.038966 -0.011000 -0.057205 -0.017834 -0.014781 -0.024266 1Rh 5dz2 0.149832 0.091216 0.241665 -0.223465 0.130531 0.224421 1Rh 5dxz -0.097087 0.121771 -0.096493 -0.201428 0.017418 0.143825 1Rh 5dyz 0.386342 0.121741 0.634920 -0.239932 0.381448 0.151148 1Rh 5dx2y2 0.186887 -0.069434 0.193873 0.270368 0.045827 -0.284414 1Rh 5dxy 0.175667 -0.034229 0.273588 -0.021802 0.206027 -0.078368 1Rh 1f0 -0.000253 -0.050960 0.037280 -0.026937 0.027116 -0.001713 1Rh 1f+1 -0.036051 0.012921 0.037589 0.016203 -0.000964 0.057542 1Rh 1f-1 -0.095752 0.094950 0.068827 -0.000115 0.040391 0.143023 1Rh 1f+2 0.072612 -0.134819 -0.022380 0.031729 -0.010749 -0.081858 1Rh 1f-2 -0.066250 -0.024848 0.092024 0.012784 0.019391 0.063913 1Rh 1f+3 -0.007476 0.072284 -0.037261 0.027858 -0.009210 0.046259 1Rh 1f-3 0.020741 -0.004882 0.011117 0.016141 0.000488 0.039916 2C 1s 0.001454 -0.002254 0.000770 -0.005906 -0.007709 -0.009590 2C 2s 0.001586 -0.004550 0.001544 -0.019416 -0.026431 -0.033024 2C 3s -0.388172 -0.073446 -0.122126 -0.145607 -0.315512 -0.148546 2C 4s 2.237093 0.715932 0.392244 1.073439 2.573224 1.513588 2C 5s 1.478505 -0.245430 0.000109 -1.812902 -0.073492 -2.899128 2C 1pz -0.122987 -0.008390 -0.046635 -0.032675 -0.076708 0.010682 2C 1px -0.064076 0.071100 -0.079841 -0.019577 0.044983 -0.046429 2C 1py -0.074877 -0.016176 0.001846 -0.021439 -0.096889 -0.006480 2C 2pz 0.556678 0.924833 -0.439590 -0.332936 0.506255 -1.036906 2C 2px 1.271241 -0.579567 0.347709 -0.084987 0.204612 0.200538 2C 2py 0.576699 -0.170366 0.208010 -0.177677 -0.189297 -0.568839 2C 3pz 0.312080 0.105073 -0.022110 -0.376396 0.199740 -0.588037 2C 3px 0.058725 -0.099030 0.085399 -0.085693 -0.088063 -0.007900 2C 3py 0.385006 0.000509 0.040436 -0.216284 -0.036731 -0.330865 2C 1dz2 0.057293 -0.065359 0.068582 0.087151 0.048024 0.163442 2C 1dxz 0.102902 -0.028245 0.029642 0.037059 0.063296 0.094655 2C 1dyz 0.060440 0.018652 0.023663 0.125780 0.185629 0.236059 2C 1dx2y2 -0.085189 0.045063 -0.033314 -0.051348 -0.051315 -0.118394 2C 1dxy 0.020631 -0.106284 0.056209 0.023596 -0.033341 0.043977 2C 2dz2 -0.030100 0.268306 -0.151037 -0.167925 0.028113 -0.461665 2C 2dxz -0.118061 -0.069626 0.066561 -0.078375 -0.191864 -0.130452 2C 2dyz 0.325047 0.031258 -0.060697 -0.204828 -0.109038 -0.471168 2C 2dx2y2 0.283260 -0.465271 0.284275 0.117714 -0.100887 0.373971 2C 2dxy 0.160290 0.116413 0.040609 -0.018949 0.016859 0.011073 2C 1f0 0.025290 -0.120412 0.081651 0.025566 -0.069164 0.038492 2C 1f+1 -0.025222 0.010766 -0.033008 -0.014778 0.003408 -0.017084 2C 1f-1 0.041796 -0.001167 0.022669 0.057877 0.069133 0.089684 2C 1f+2 -0.112066 -0.058210 0.019940 -0.039372 -0.155030 -0.094952 2C 1f-2 0.014698 -0.030216 0.029639 0.049923 -0.009079 0.052687 2C 1f+3 -0.047614 -0.008538 -0.006224 -0.027880 -0.088181 -0.055968 2C 1f-3 0.028952 0.069691 -0.054383 -0.013639 0.055659 -0.010766 3C 1s -0.000408 -0.001152 -0.004064 -0.008437 0.000930 0.002059 3C 2s 0.000012 -0.002688 -0.013273 -0.029072 0.003407 0.006279 3C 3s 0.324322 0.096960 -0.100159 -0.378030 -0.034653 0.086296 3C 4s -2.064527 -0.395827 1.011843 2.821446 -0.107249 -0.709973 3C 5s -1.253879 0.063675 -0.186342 -0.924709 -0.933788 0.472104 3C 1pz 0.085048 -0.024808 -0.080595 -0.080756 -0.006408 0.025994 3C 1px 0.016461 0.043581 0.033588 -0.040063 -0.020769 -0.008566 3C 1py -0.074003 -0.053490 0.001636 0.087381 0.023670 -0.004579 3C 2pz -0.034951 0.178433 -0.073545 -0.167064 -0.026529 -0.153792 3C 2px -0.437776 -0.780436 -0.604785 0.150931 0.115280 0.209620 3C 2py 1.100876 -0.086930 -0.556356 -0.268724 0.033001 0.212066 3C 3pz -0.351812 -0.146693 -0.001382 -0.026138 -0.087720 0.030697 3C 3px -0.098528 -0.020905 -0.203901 -0.071023 -0.087911 0.084677 3C 3py 0.377381 -0.107796 -0.106360 0.087602 0.275937 -0.001918 3C 1dz2 -0.049683 0.034310 0.076032 0.000726 0.000740 -0.025513 3C 1dxz -0.011283 -0.072488 -0.026576 0.077627 0.003123 0.004345 3C 1dyz 0.008840 -0.016589 -0.049465 -0.169287 0.014215 0.040585 3C 1dx2y2 0.042484 0.046991 -0.020361 -0.143502 0.016218 0.006825 3C 1dxy 0.073718 0.004075 -0.075882 -0.125750 -0.022569 0.023719 3C 2dz2 0.042018 0.057367 0.018424 -0.008822 -0.005157 -0.037819 3C 2dxz -0.089634 0.235327 0.152741 -0.057564 -0.063069 -0.062014 3C 2dyz 0.379149 0.108561 -0.118333 0.067150 -0.066721 -0.015035 3C 2dx2y2 0.025020 -0.184029 -0.089438 0.186918 0.059515 0.105842 3C 2dxy -0.017793 0.089965 0.274890 0.129821 -0.002739 -0.038966 3C 1f0 -0.060397 0.022191 0.054062 0.012601 -0.001778 -0.008688 3C 1f+1 -0.069214 -0.005907 0.054225 0.041155 -0.009103 -0.019118 3C 1f-1 0.115132 -0.030904 -0.108791 -0.051705 0.005759 0.027770 3C 1f+2 0.050657 0.027045 -0.004371 -0.140906 -0.004345 0.019108 3C 1f-2 0.073101 0.009592 -0.091611 -0.105718 0.008695 0.023846 3C 1f+3 -0.031968 0.057988 0.080190 0.028462 -0.003738 -0.032032 3C 1f-3 -0.005984 0.020063 0.068228 -0.000008 0.028380 -0.020086 4C 1s -0.005771 -0.001026 -0.001667 0.002162 0.002359 0.000849 4C 2s -0.025864 -0.000942 -0.009528 -0.002022 0.000581 -0.008383 4C 3s 0.447248 0.071134 0.246665 0.145916 -0.104252 0.104599 4C 4s -1.284671 -0.756401 -0.603373 -0.264011 1.097705 0.348269 4C 5s 0.060631 0.122281 0.028731 -0.048629 0.826891 0.845215 4C 1pz 0.013725 -0.080772 0.068751 0.015592 -0.046234 0.046106 4C 1px 0.031907 -0.009610 0.008546 0.040557 -0.007636 0.059552 4C 1py -0.000327 -0.065261 0.046630 0.025277 -0.033845 0.046418 4C 2pz 0.588353 0.526242 -0.371976 -0.075454 0.879184 -0.380615 4C 2px 0.123165 -0.004727 0.014336 -0.206873 0.184719 -0.344266 4C 2py 0.498042 0.368022 -0.196275 -0.114544 0.583389 -0.335189 4C 3pz 1.903125 0.118801 0.261740 -1.212764 0.989768 -1.051051 4C 3px 0.081823 0.518594 -0.077813 -0.273144 0.281291 -0.513329 4C 3py 0.932295 0.201858 0.082195 -0.902489 0.926929 -0.846725 4C 1dz2 0.153678 0.079218 0.002485 0.058937 0.099025 0.117869 4C 1dxz 0.074155 0.033247 0.016251 0.039683 0.079110 0.068570 4C 1dyz 0.054710 -0.047940 0.033135 0.080463 0.135027 0.144067 4C 1dx2y2 0.002201 0.118280 -0.020938 -0.041817 0.057450 -0.065473 4C 1dxy 0.043794 -0.027046 0.029417 0.035600 -0.019428 0.053107 4C 2dz2 -0.817696 0.019408 -0.074001 0.031262 -0.339777 -0.077019 4C 2dxz 0.160916 -0.724464 0.547275 0.062468 -0.621996 0.291484 4C 2dyz -0.537347 -0.100831 -0.017080 -0.068836 -0.433833 -0.047574 4C 2dx2y2 0.339810 0.082467 -0.161106 -0.174375 0.436591 -0.142631 4C 2dxy 0.295445 -0.309802 0.062921 -0.150926 0.099767 0.079706 4C 1f0 0.009053 -0.046234 0.078184 -0.000915 -0.087629 -0.018797 4C 1f+1 0.019140 -0.011322 0.027707 -0.000217 -0.009215 -0.014418 4C 1f-1 -0.087284 0.065584 -0.066416 -0.070256 -0.120063 -0.176716 4C 1f+2 0.031591 0.010551 -0.007910 0.022461 -0.007335 0.036584 4C 1f-2 0.038067 -0.032490 0.020200 -0.012414 -0.117763 -0.050346 4C 1f+3 -0.036103 -0.037869 0.028201 -0.035891 -0.001993 -0.044490 4C 1f-3 -0.009471 0.042086 0.002203 0.048984 0.034892 0.015651 5C 1s 0.004993 0.002954 0.001650 0.000488 0.002247 0.000353 5C 2s 0.018165 0.012268 0.003518 -0.010778 0.005001 0.002558 5C 3s -0.272247 -0.110439 -0.000012 0.227957 -0.040688 -0.071366 5C 4s 0.847787 -0.132842 -0.118592 -0.288829 0.408375 0.333226 5C 5s -0.489257 -0.419647 0.080997 0.445509 -0.099701 -0.075652 5C 1pz 0.039401 0.005846 -0.032482 -0.009569 0.005114 0.022616 5C 1px 0.014055 -0.058899 -0.013275 0.004427 0.003218 0.031204 5C 1py -0.037705 0.038298 0.045132 0.005645 -0.006315 -0.016335 5C 2pz -0.571264 -0.129250 0.247862 0.323811 0.044247 -0.139715 5C 2px -0.301711 0.050313 0.094100 0.206141 0.023402 -0.164755 5C 2py 0.839369 0.034214 -0.404525 -0.524000 -0.058260 0.211472 5C 3pz -1.033376 0.127978 0.175966 0.199113 -0.743161 0.042532 5C 3px -0.720061 -0.012451 0.277247 0.044717 -0.587515 -0.090001 5C 3py 1.934833 0.232348 0.001489 -0.218537 1.032605 -0.130651 5C 1dz2 0.104678 0.062835 -0.050275 -0.072917 -0.001942 -0.003826 5C 1dxz 0.071944 -0.052907 -0.096823 0.033207 -0.023543 0.017123 5C 1dyz 0.019307 -0.026239 -0.037881 -0.125473 0.029256 0.034463 5C 1dx2y2 0.103453 0.050618 -0.072538 -0.136667 -0.007052 0.009021 5C 1dxy 0.070110 -0.026641 -0.047434 -0.109698 -0.003940 0.038368 5C 2dz2 0.005912 0.003495 0.088893 0.035707 0.059903 -0.039330 5C 2dxz 0.258734 -0.064004 -0.205299 -0.166118 0.194613 0.087280 5C 2dyz -0.284502 -0.207212 -0.092993 0.349844 0.008732 -0.013619 5C 2dx2y2 -0.745266 -0.269230 0.072756 0.451927 -0.066852 -0.092283 5C 2dxy -0.475619 0.335672 0.646765 0.294166 -0.110489 -0.296050 5C 1f0 -0.037329 -0.025732 0.044984 0.104870 0.029583 -0.023282 5C 1f+1 -0.017625 0.018585 -0.014946 0.034508 0.052673 -0.040777 5C 1f-1 -0.004124 -0.084333 -0.125913 -0.046600 0.048465 0.030567 5C 1f+2 -0.018764 -0.013472 0.039344 0.098994 -0.027445 0.009233 5C 1f-2 -0.011560 0.000178 0.034814 0.047456 -0.017722 -0.026635 5C 1f+3 0.004702 0.013711 0.043121 -0.050289 0.013703 -0.006784 5C 1f-3 -0.032494 -0.000872 0.025399 0.000005 0.023622 -0.031044 6C 1s 0.004964 0.003159 -0.001733 0.000411 0.002391 -0.000223 6C 2s 0.018001 0.013064 -0.003798 -0.011014 0.005635 -0.002129 6C 3s -0.267604 -0.123964 -0.000412 0.233135 -0.052971 0.073317 6C 4s 0.833928 -0.097335 0.128723 -0.316067 0.466349 -0.343828 6C 5s -0.498258 -0.407956 -0.057318 0.435964 -0.121233 0.048374 6C 1pz -0.040107 -0.003455 -0.032270 0.009878 -0.008033 0.022983 6C 1px -0.014943 0.062030 -0.012679 -0.002921 -0.008988 0.031261 6C 1py 0.039076 -0.042700 0.043006 -0.006309 0.009866 -0.017715 6C 2pz 0.577136 0.115724 0.231176 -0.323523 -0.026633 -0.144400 6C 2px 0.303929 -0.076372 0.090352 -0.222527 0.011797 -0.175807 6C 2py -0.850107 -0.004398 -0.370682 0.528744 0.025525 0.221810 6C 3pz 1.040433 -0.138033 0.099382 -0.191497 0.705761 0.126808 6C 3px 0.735597 -0.021396 0.242024 -0.050663 0.593829 -0.044885 6C 3py -1.948741 -0.208502 0.108311 0.214148 -0.962765 -0.236239 6C 1dz2 0.105704 0.061119 0.052551 -0.071746 -0.002707 0.003836 6C 1dxz 0.073234 -0.056080 0.098583 0.032347 -0.017518 -0.020979 6C 1dyz 0.020030 -0.026964 0.032048 -0.125945 0.031384 -0.028889 6C 1dx2y2 0.103372 0.050739 0.073622 -0.135967 -0.002719 -0.007700 6C 1dxy 0.070910 -0.025590 0.044559 -0.110088 0.001561 -0.035499 6C 2dz2 0.005031 0.004836 -0.098888 0.034308 0.055309 0.049130 6C 2dxz 0.269150 -0.083157 0.185573 -0.166050 0.202752 -0.068151 6C 2dyz -0.277944 -0.217651 0.102000 0.353868 0.009257 0.013727 6C 2dx2y2 -0.747743 -0.258895 -0.046793 0.457417 -0.078552 0.080158 6C 2dxy -0.491165 0.362636 -0.627566 0.296811 -0.156850 0.283484 6C 1f0 0.038449 0.024777 0.044000 -0.105139 -0.027714 -0.024134 6C 1f+1 0.017363 -0.019364 -0.014925 -0.036050 -0.048976 -0.046352 6C 1f-1 0.001445 0.088350 -0.124330 0.046283 -0.054479 0.024682 6C 1f+2 0.017933 0.015617 0.036016 -0.096968 0.026420 0.016456 6C 1f-2 0.012941 -0.001959 0.034484 -0.048343 0.021505 -0.023888 6C 1f+3 -0.004052 -0.014061 0.044254 0.050570 -0.012171 -0.009287 6C 1f-3 0.033719 0.000607 0.024225 -0.000820 -0.018411 -0.033220 7C 1s -0.005629 -0.001022 0.001744 0.002232 0.002060 -0.000694 7C 2s -0.025259 -0.000844 0.010276 -0.001558 -0.001056 0.008389 7C 3s 0.432143 0.071327 -0.257488 0.136383 -0.079988 -0.116235 7C 4s -1.217357 -0.773680 0.613686 -0.244116 1.043327 -0.243755 7C 5s 0.059364 0.100746 -0.060642 -0.066182 0.851812 -0.747371 7C 1pz -0.016761 0.081681 0.066771 -0.013739 0.043650 0.051789 7C 1px -0.033734 0.011209 0.009908 -0.039416 0.001278 0.061375 7C 1py -0.001968 0.066442 0.047289 -0.024187 0.029540 0.051411 7C 2pz -0.557199 -0.527190 -0.326131 0.067135 -0.858809 -0.472801 7C 2px -0.100266 -0.005263 0.020921 0.201885 -0.149034 -0.373208 7C 2py -0.473962 -0.375039 -0.172602 0.109781 -0.561014 -0.403889 7C 3pz -1.915543 -0.125060 0.346828 1.204331 -0.902136 -1.161696 7C 3px -0.070546 -0.527380 -0.074173 0.259924 -0.221746 -0.549622 7C 3py -0.945116 -0.202567 0.145380 0.889492 -0.837147 -0.954705 7C 1dz2 0.152162 0.078400 -0.003942 0.055941 0.103540 -0.107884 7C 1dxz 0.074978 0.032901 -0.016745 0.038348 0.082202 -0.061620 7C 1dyz 0.054853 -0.049277 -0.043879 0.078810 0.141615 -0.134183 7C 1dx2y2 0.003245 0.118351 0.027245 -0.040655 0.046283 0.072378 7C 1dxy 0.041332 -0.024053 -0.031955 0.034487 -0.013071 -0.055774 7C 2dz2 -0.799897 0.012505 0.106167 0.037391 -0.351984 0.040725 7C 2dxz 0.163835 -0.714265 -0.545051 0.046109 -0.573377 -0.350534 7C 2dyz -0.523993 -0.103625 0.048201 -0.066236 -0.443620 0.005045 7C 2dx2y2 0.331031 0.090269 0.131579 -0.166714 0.429192 0.190776 7C 2dxy 0.298111 -0.304325 -0.075425 -0.156449 0.114987 -0.064204 7C 1f0 -0.005840 0.042657 0.077578 -0.000146 0.083735 -0.008803 7C 1f+1 -0.020466 0.012492 0.028365 0.000082 0.010917 -0.012442 7C 1f-1 0.085703 -0.065468 -0.073822 0.067188 0.129792 -0.166232 7C 1f+2 -0.032754 -0.009498 -0.007036 -0.022933 0.002884 0.040044 7C 1f-2 -0.038876 0.031933 0.018270 0.013522 0.116124 -0.039757 7C 1f+3 0.036948 0.037212 0.028306 0.034214 0.007494 -0.045363 7C 1f-3 0.009650 -0.040723 0.001491 -0.047448 -0.032946 0.012641 8C 1s -0.000362 -0.001258 0.004089 -0.008441 0.001301 -0.001760 8C 2s 0.000162 -0.002973 0.013225 -0.029043 0.004477 -0.005170 8C 3s 0.324969 0.095689 0.091318 -0.380460 -0.024397 -0.088113 8C 4s -2.076985 -0.371336 -0.945912 2.836781 -0.203018 0.672004 8C 5s -1.258852 0.080732 0.275969 -0.934122 -0.807359 -0.549159 8C 1pz -0.087226 0.028866 -0.077201 0.081285 0.002971 0.026196 8C 1px -0.013822 -0.047239 0.033685 0.040394 0.022311 -0.007001 8C 1py 0.073482 0.054326 0.000193 -0.087690 -0.024025 -0.006773 8C 2pz 0.031724 -0.182866 -0.085883 0.159241 0.043883 -0.165789 8C 2px 0.430237 0.808708 -0.617492 -0.151777 -0.158368 0.200052 8C 2py -1.111150 0.120860 -0.532808 0.279257 -0.071242 0.229826 8C 3pz 0.353010 0.140099 -0.012846 0.026978 0.076323 0.036872 8C 3px 0.095774 0.023407 -0.211454 0.073477 0.064414 0.091920 8C 3py -0.382051 0.116208 -0.082366 -0.086546 -0.264301 -0.024567 8C 1dz2 -0.051920 0.036754 -0.077636 0.001945 -0.005092 0.026888 8C 1dxz -0.009243 -0.075768 0.028651 0.076357 0.005089 -0.006808 8C 1dyz 0.009910 -0.017289 0.047886 -0.169423 0.018521 -0.035216 8C 1dx2y2 0.042289 0.047941 0.018900 -0.143080 0.016502 -0.002180 8C 1dxy 0.074538 0.006061 0.074217 -0.125632 -0.018238 -0.021947 8C 2dz2 0.040372 0.066073 -0.015561 -0.009114 -0.008652 0.035740 8C 2dxz -0.097711 0.252026 -0.156291 -0.050614 -0.075300 0.065334 8C 2dyz 0.381955 0.102859 0.112337 0.066778 -0.064799 0.000441 8C 2dx2y2 0.030614 -0.197969 0.085741 0.182280 0.074963 -0.109600 8C 2dxy -0.027682 0.096593 -0.277043 0.128823 -0.011987 0.032487 8C 1f0 0.062236 -0.024439 0.053521 -0.013601 0.003913 -0.008725 8C 1f+1 0.070190 0.003026 0.052021 -0.039427 0.011721 -0.017937 8C 1f-1 -0.118095 0.035524 -0.109367 0.052381 -0.011774 0.027054 8C 1f+2 -0.051124 -0.027350 -0.003238 0.141174 0.003624 0.017080 8C 1f-2 -0.073760 -0.008571 -0.089759 0.105782 -0.013094 0.021102 8C 1f+3 0.032532 -0.059395 0.078669 -0.028699 0.010690 -0.031231 8C 1f-3 0.005050 -0.020930 0.070639 0.000750 -0.023160 -0.022915 9C 1s 0.001539 -0.002250 -0.000621 -0.005871 -0.007982 0.008953 9C 2s 0.001755 -0.004466 -0.000879 -0.019269 -0.027409 0.030878 9C 3s -0.375562 -0.072845 0.143884 -0.139314 -0.325486 0.119120 9C 4s 2.160147 0.714169 -0.538475 1.042710 2.644503 -1.276449 9C 5s 1.520509 -0.233656 -0.039076 -1.771049 -0.261335 2.908017 9C 1pz 0.119355 0.008966 -0.051981 0.031846 0.076259 0.017833 9C 1px 0.063048 -0.070917 -0.081981 0.017022 -0.038459 -0.050705 9C 1py 0.073688 0.014984 -0.003905 0.020823 0.095992 0.002190 9C 2pz -0.521170 -0.928194 -0.425274 0.318070 -0.442450 -1.098278 9C 2px -1.266564 0.561355 0.387948 0.101327 -0.256283 0.176506 9C 2py -0.558523 0.156867 0.238076 0.175657 0.191298 -0.559452 9C 3pz -0.317078 -0.104239 -0.008684 0.365871 -0.152282 -0.611252 9C 3px -0.055634 0.089978 0.086993 0.087441 0.074949 -0.000356 9C 3py -0.382916 -0.007335 0.048320 0.215756 0.053354 -0.330687 9C 1dz2 0.053145 -0.064489 -0.075403 0.084727 0.057747 -0.160515 9C 1dxz 0.105449 -0.031639 -0.034064 0.034219 0.067428 -0.089294 9C 1dyz 0.062033 0.016122 -0.030127 0.122455 0.196011 -0.221704 9C 1dx2y2 -0.084201 0.047381 0.039039 -0.049206 -0.058759 0.115057 9C 1dxy 0.018344 -0.105198 -0.060133 0.022471 -0.029268 -0.047304 9C 2dz2 -0.033187 0.268552 0.155854 -0.158201 -0.002916 0.468200 9C 2dxz -0.133942 -0.055200 -0.063307 -0.075885 -0.185375 0.116728 9C 2dyz 0.313153 0.033916 0.053585 -0.202252 -0.126212 0.468521 9C 2dx2y2 0.286121 -0.472988 -0.298300 0.107368 -0.070015 -0.387930 9C 2dxy 0.169602 0.108282 -0.042579 -0.022451 0.022632 -0.012495 9C 1f0 -0.022193 0.116389 0.087007 -0.024802 0.060179 0.045906 9C 1f+1 0.023722 -0.008498 -0.031574 0.014019 -0.001743 -0.017328 9C 1f-1 -0.039943 0.001686 0.026428 -0.055941 -0.073810 0.083516 9C 1f+2 0.111512 0.056924 0.014054 0.039763 0.158371 -0.082534 9C 1f-2 -0.013287 0.033478 0.031811 -0.047785 0.009736 0.053672 9C 1f+3 0.047206 0.010164 -0.007568 0.026409 0.091539 -0.047181 9C 1f-3 -0.027858 -0.069414 -0.054934 0.014240 -0.050256 -0.018257 10H 1s 0.012572 0.087677 -0.070769 -0.039841 0.109535 -0.065703 10H 2s -1.187260 0.497131 -0.347464 -0.386993 -0.821481 -0.966236 10H 3s 0.210154 0.066777 0.008256 0.183174 0.374123 0.391789 10H 1pz -0.333570 0.147463 -0.093912 -0.068633 -0.179963 -0.213570 10H 1px 0.291684 -0.069374 0.072024 0.187958 0.371174 0.358665 10H 1py -0.193191 0.136708 -0.151840 -0.015564 0.046652 -0.076784 11H 1s 0.044538 -0.080323 0.103569 0.024718 -0.106820 0.007629 11H 2s 0.158721 0.392060 -0.470626 -0.486749 0.050946 -0.642947 11H 3s -0.144982 0.019913 0.145632 0.180819 0.031927 0.366262 11H 1pz 0.095529 0.104462 -0.077258 -0.101837 0.061159 -0.087245 11H 1px 0.012093 0.057429 -0.131446 -0.141415 -0.070100 -0.191161 11H 1py 0.019084 -0.051464 0.120466 0.158647 0.077033 0.296312 12H 1s 0.017858 -0.021777 -0.022595 -0.004346 0.033355 -0.000182 12H 2s 0.089639 -0.640750 0.261441 -0.409321 -0.919920 -0.617522 12H 3s -0.018397 0.147741 -0.004865 0.187000 0.162132 0.396715 12H 1pz 0.004784 -0.097227 0.069995 0.117787 0.058205 0.243857 12H 1px -0.001712 -0.172538 0.106214 -0.063137 -0.287120 -0.100851 12H 1py 0.031485 -0.249031 0.075030 -0.169652 -0.317055 -0.238958 13H 1s -0.079590 0.042198 0.076277 0.028587 -0.036350 -0.022649 13H 2s 0.599568 0.625206 -0.050402 -0.912127 -0.062019 -0.051590 13H 3s -0.250420 -0.125251 0.181591 0.346941 0.033992 -0.096914 13H 1pz 0.123416 0.234694 0.087790 -0.241964 -0.027418 -0.049049 13H 1px -0.175270 -0.051597 0.167055 0.334025 -0.001049 -0.058090 13H 1py -0.124779 -0.133835 -0.046257 0.128296 0.024526 0.015385 14H 1s -0.038944 0.023496 0.052362 0.024906 0.006000 -0.020834 14H 2s 0.421062 -0.392324 -0.864878 -0.831640 0.047935 0.276809 14H 3s -0.113615 0.007420 0.103600 0.262303 -0.003522 -0.093892 14H 1pz 0.047466 -0.058923 -0.165338 -0.129982 -0.018046 0.047285 14H 1px 0.186575 -0.135730 -0.331321 -0.359390 0.025199 0.114648 14H 1py -0.062625 0.032137 0.081578 -0.102860 0.010520 -0.012555 15H 1s 0.069338 -0.083649 -0.098164 -0.030363 0.034410 0.041756 15H 2s -0.512340 0.066767 0.316965 -0.351837 -0.003198 0.088936 15H 3s 0.160380 0.051549 -0.045863 0.126784 -0.018401 -0.087502 15H 1pz 0.082212 -0.042351 -0.035702 0.217458 -0.018926 -0.033673 15H 1px -0.027175 0.019605 0.067093 -0.014586 0.011555 -0.000296 15H 1py 0.161267 0.012395 -0.086080 0.070099 0.019480 -0.032070 16H 1s 0.026994 0.042157 0.001701 -0.006997 -0.038032 0.013669 16H 2s -0.135605 -0.351260 -0.330198 0.438960 -0.185454 0.450424 16H 3s 0.013241 0.019880 -0.094946 0.028568 -0.089637 0.081115 16H 1pz -0.045626 -0.136550 -0.188676 0.263794 -0.149208 0.262338 16H 1px 0.003246 -0.015757 0.069601 -0.069148 0.082248 -0.050953 16H 1py -0.040441 -0.086656 -0.048872 0.030573 -0.016582 0.057829 17H 1s 0.004935 0.048723 -0.012258 0.000387 -0.047295 -0.008621 17H 2s 0.041347 -0.417112 -0.019248 0.214366 0.060837 0.406006 17H 3s -0.024473 0.000904 0.010737 0.017282 -0.067740 0.051777 17H 1pz -0.012024 0.123599 -0.004168 -0.085458 -0.003685 -0.119764 17H 1px -0.040605 0.098349 0.035341 -0.127415 0.051616 -0.188599 17H 1py 0.001667 -0.116528 0.005583 -0.001719 0.045642 0.062255 18H 1s 0.006378 0.049326 0.013691 -0.000435 -0.046271 0.004293 18H 2s -0.003938 -0.388747 -0.002744 0.207136 0.136817 -0.388604 18H 3s -0.032470 0.011217 -0.011071 0.014133 -0.052954 -0.055900 18H 1pz -0.002769 -0.118400 -0.012255 0.083498 0.027208 -0.118032 18H 1px 0.020717 -0.084000 0.026766 0.122396 -0.011886 -0.189081 18H 1py 0.011621 0.103961 0.009290 0.006176 -0.059120 0.048936 19H 1s 0.027417 0.040989 -0.001508 -0.008377 -0.035449 -0.016738 19H 2s -0.139022 -0.317282 0.345672 0.441503 -0.123202 -0.479142 19H 3s 0.010507 0.026924 0.096716 0.030098 -0.076586 -0.089554 19H 1pz 0.045687 0.116709 -0.194617 -0.263065 0.110697 0.280885 19H 1px -0.005095 0.021773 0.073577 0.070484 -0.070215 -0.061394 19H 1py 0.040468 0.081063 -0.060242 -0.036652 0.012949 0.067022 20H 1s 0.072824 -0.090136 0.093839 -0.031471 0.040515 -0.037916 20H 2s -0.526266 0.087238 -0.314135 -0.350933 -0.001998 -0.076337 20H 3s 0.162336 0.045898 0.041377 0.129685 -0.031850 0.084770 20H 1pz -0.085741 0.048396 -0.033837 -0.216988 0.022100 -0.025873 20H 1px 0.027194 -0.017265 0.067890 0.017671 -0.009060 0.000233 20H 1py -0.165017 -0.007515 -0.085966 -0.069775 -0.017580 -0.031174 21H 1s -0.038133 0.023762 -0.050434 0.025423 0.003033 0.020638 21H 2s 0.432920 -0.418208 0.861858 -0.836080 0.099049 -0.260665 21H 3s -0.114420 0.012271 -0.105371 0.263493 -0.019014 0.091743 21H 1pz -0.048524 0.060694 -0.169504 0.132318 0.006564 0.047805 21H 1px -0.192918 0.148303 -0.327830 0.360282 -0.045339 0.107010 21H 1py 0.064821 -0.036609 0.081145 0.102991 -0.006628 -0.017315 22H 1s -0.083695 0.048834 -0.072168 0.029197 -0.038828 0.019911 22H 2s 0.603170 0.637707 0.029276 -0.904734 -0.078891 0.070791 22H 3s -0.255468 -0.121265 -0.176730 0.347736 0.016215 0.093865 22H 1pz -0.120471 -0.241306 0.091163 0.237685 0.037264 -0.052739 22H 1px 0.180562 0.047859 0.159287 -0.333953 0.008399 -0.049100 22H 1py 0.123892 0.139725 -0.050120 -0.129398 -0.029308 0.016372 23H 1s 0.017777 -0.024219 0.020496 -0.004182 0.032460 0.002759 23H 2s 0.087770 -0.621606 -0.256352 -0.404374 -0.919923 0.538501 23H 3s -0.029680 0.149157 0.003173 0.179852 0.184295 -0.382167 23H 1pz -0.003092 0.094863 0.075727 -0.114421 -0.076746 0.241924 23H 1px -0.000186 0.169756 0.101795 0.060686 0.279691 -0.069606 23H 1py -0.030589 0.243113 0.075353 0.167733 0.320254 -0.212608 24H 1s 0.044677 -0.079651 -0.102034 0.022464 -0.101919 -0.017856 24H 2s 0.174662 0.389573 0.486912 -0.479025 0.013933 0.658634 24H 3s -0.151786 0.021330 -0.146590 0.174952 0.055665 -0.364318 24H 1pz -0.100114 -0.104899 -0.080350 0.100160 -0.055544 -0.094694 24H 1px -0.019733 -0.054330 -0.139445 0.142583 0.080910 -0.190658 24H 1py -0.019192 0.052981 0.122870 -0.152066 -0.090698 0.289742 25H 1s 0.010767 0.089466 0.068891 -0.036840 0.101683 0.076974 25H 2s -1.186645 0.497922 0.409599 -0.366510 -0.881250 0.897008 25H 3s 0.205486 0.061452 -0.023974 0.177712 0.388869 -0.358490 25H 1pz 0.334200 -0.147339 -0.110824 0.063825 0.200721 -0.200036 25H 1px -0.290677 0.070922 0.092264 -0.182423 -0.383161 0.326421 25H 1py 0.187549 -0.131501 -0.155671 0.009911 -0.037088 -0.077018 26O 1s 0.000456 0.002039 -0.002675 0.003604 0.008780 -0.002467 26O 2s -0.001617 0.009589 -0.010555 0.011784 0.029951 -0.010908 26O 3s 0.073434 -0.110070 0.086397 -0.070857 -0.190600 0.119086 26O 4s -0.489913 0.466716 -0.300292 -0.016980 0.345537 -0.466880 26O 5s -0.522069 -0.679811 0.817458 1.339670 -2.043817 1.267063 26O 1pz -0.112972 -0.056355 -0.012003 -0.047580 0.099482 0.005386 26O 1px -0.028679 -0.176292 0.099789 -0.064625 -0.120460 -0.021522 26O 1py 0.111784 0.350184 -0.179926 0.036671 0.089798 -0.009448 26O 2pz 0.144758 0.164643 -0.052282 0.030392 0.000669 -0.061892 26O 2px 0.246740 0.166351 -0.162477 -0.024102 0.305935 0.028297 26O 2py -0.090989 -0.474098 0.196179 -0.104303 -0.041719 -0.020700 26O 3pz -0.231384 -0.031502 0.173265 0.355468 -0.085039 0.209726 26O 3px 0.120068 -0.325485 0.130614 -0.196669 0.566979 -0.240786 26O 3py 0.041881 0.100313 0.077764 0.213591 0.165298 0.043399 26O 1dz2 0.004957 -0.003048 0.002602 0.005009 -0.006909 0.008452 26O 1dxz -0.001186 -0.005794 0.004261 -0.000010 -0.000467 0.003723 26O 1dyz 0.002983 -0.007468 0.009697 0.004767 -0.000660 0.013742 26O 1dx2y2 0.000922 -0.001518 0.002465 -0.003477 -0.004572 -0.005270 26O 1dxy 0.002616 0.000450 0.001741 0.000611 0.001661 0.003358 26O 2dz2 0.108169 -0.063683 0.102898 0.095751 -0.025128 0.111741 26O 2dxz 0.000298 -0.144451 0.121164 0.068256 -0.151095 0.096661 26O 2dyz 0.070942 -0.185627 0.221398 0.143962 -0.079523 0.218093 26O 2dx2y2 -0.015192 0.140823 -0.056860 -0.027488 -0.032061 -0.072228 26O 2dxy 0.004492 -0.067405 0.069620 0.051890 -0.083646 0.092313 26O 1f0 -0.004721 -0.003043 0.003024 -0.003766 -0.010825 -0.008700 26O 1f+1 0.006636 -0.003620 0.007992 0.009574 0.005314 0.009408 26O 1f-1 -0.007186 0.009996 -0.006038 -0.002303 0.008831 -0.011230 26O 1f+2 -0.000719 -0.001633 0.001627 0.003347 -0.000848 0.006830 26O 1f-2 0.009952 -0.000641 -0.000301 0.004961 0.014041 0.009753 26O 1f+3 0.000768 -0.003132 -0.002740 0.009242 -0.008280 0.007369 26O 1f-3 -0.002256 0.002417 0.005206 -0.000001 -0.001993 -0.001997 27O 1s -0.003266 -0.001311 0.004403 0.005813 0.004799 -0.004721 27O 2s -0.010635 -0.001897 0.016948 0.018830 0.016024 -0.016332 27O 3s 0.056116 -0.032788 -0.151023 -0.099691 -0.101205 0.115279 27O 4s -0.059058 0.307341 0.540555 -0.014157 0.067536 -0.239812 27O 5s 1.490396 -0.128758 -0.953318 -0.291273 0.623830 0.360497 27O 1pz -0.277146 0.037283 0.228160 0.058122 0.137194 -0.129543 27O 1px -0.021763 -0.022833 -0.023074 -0.063507 0.003634 0.018209 27O 1py -0.090809 -0.072035 0.067734 -0.018106 0.176600 -0.065669 27O 2pz 0.383331 -0.013783 -0.281847 -0.071823 -0.215853 0.166872 27O 2px -0.118931 -0.035055 -0.037496 0.144370 -0.046599 -0.017808 27O 2py 0.234892 0.024394 -0.169502 -0.032333 -0.218867 0.134635 27O 3pz -0.005346 -0.063163 -0.123767 0.069569 0.237926 -0.056115 27O 3px -0.147125 -0.342602 -0.117484 0.196626 0.226122 0.056344 27O 3py -0.297609 0.163807 0.223467 -0.187527 -0.054284 -0.076076 27O 1dz2 0.001351 0.003982 0.003406 0.001354 -0.000937 -0.000446 27O 1dxz -0.000806 -0.000343 0.001908 0.004359 0.002783 -0.001466 27O 1dyz -0.001704 0.002262 0.004580 -0.003963 -0.001490 0.000829 27O 1dx2y2 -0.004226 0.008685 0.002010 -0.002675 0.000026 -0.003442 27O 1dxy -0.005630 0.002654 0.005253 -0.001881 0.000543 -0.002458 27O 2dz2 -0.009160 0.032179 0.045541 -0.004882 -0.025779 -0.002785 27O 2dxz 0.070856 -0.044610 -0.089482 0.025628 0.061396 0.034393 27O 2dyz -0.043240 0.053097 0.129179 -0.099662 -0.048419 -0.006686 27O 2dx2y2 -0.039696 0.144613 0.107862 -0.067910 -0.070132 -0.038887 27O 2dxy -0.171216 0.075695 0.179360 0.018542 -0.083045 -0.072386 27O 1f0 -0.003107 -0.002062 -0.000678 -0.001192 0.003360 0.001391 27O 1f+1 0.002353 -0.001852 0.004002 -0.003005 -0.000602 0.003013 27O 1f-1 -0.002202 -0.001912 -0.005498 0.003671 0.002280 -0.001598 27O 1f+2 0.005257 -0.007728 -0.007413 0.003797 0.003521 -0.001310 27O 1f-2 0.004425 0.002990 -0.002855 -0.008558 0.000934 0.001777 27O 1f+3 -0.006246 0.003791 0.004520 0.012146 0.001758 -0.004889 27O 1f-3 -0.006635 0.000602 0.010950 0.013276 -0.006166 -0.000067 28O 1s -0.002664 0.001803 -0.006065 0.003654 0.007994 0.004868 28O 2s -0.004167 0.000736 -0.017977 0.012408 0.024787 0.017027 28O 3s -0.046298 0.084298 0.051725 -0.073546 -0.109440 -0.120295 28O 4s 0.494138 -0.629590 0.370955 -0.036790 -0.078471 0.303577 28O 5s -1.402381 0.156712 0.080371 0.974061 -1.556126 -0.065674 28O 1pz -0.111835 0.014073 -0.056832 -0.105265 0.133437 -0.082810 28O 1px 0.028317 -0.098923 -0.008581 0.005438 0.094897 0.087692 28O 1py 0.237412 -0.007215 0.103851 0.069232 -0.203690 0.038609 28O 2pz 0.178800 0.138151 -0.123332 0.092421 0.008856 0.042143 28O 2px 0.108822 -0.096252 0.234388 0.034473 -0.318219 -0.036355 28O 2py -0.279287 -0.005234 -0.169975 -0.116551 0.349897 -0.075767 28O 3pz 0.018250 -0.385719 -0.064585 0.235378 0.347224 0.022258 28O 3px -0.109880 -0.040623 0.036626 0.139686 -0.506941 0.120974 28O 3py 0.194319 -0.161134 -0.045212 0.318556 -0.231063 0.157536 28O 1dz2 -0.006858 0.007960 0.001956 0.001270 0.003885 0.002900 28O 1dxz 0.006166 -0.004173 0.006492 0.002882 -0.000868 0.006076 28O 1dyz -0.007872 0.002872 0.004870 0.005024 -0.003715 0.009982 28O 1dx2y2 0.001947 0.007401 -0.004481 -0.002877 0.001327 -0.005674 28O 1dxy -0.000752 -0.001505 -0.000472 -0.000891 0.000192 0.002615 28O 2dz2 -0.201338 0.111255 -0.072103 0.106646 -0.013543 0.005215 28O 2dxz 0.059406 0.020448 -0.026747 0.008053 0.114133 0.018397 28O 2dyz -0.174209 0.057085 -0.040907 0.141356 -0.046677 0.049983 28O 2dx2y2 0.155075 0.022443 0.012901 -0.035949 0.019598 0.009910 28O 2dxy 0.104035 -0.055974 0.008797 0.003840 0.026606 0.050144 28O 1f0 0.006413 0.005978 -0.007909 0.005968 0.009039 0.010359 28O 1f+1 -0.005765 -0.002231 0.001002 -0.003670 -0.010105 -0.011557 28O 1f-1 0.010670 -0.005041 -0.002782 0.001043 0.004212 -0.001593 28O 1f+2 -0.008183 0.011706 -0.007948 -0.001232 0.005037 -0.001344 28O 1f-2 -0.000331 -0.001730 -0.002516 -0.005882 -0.011725 -0.011751 28O 1f+3 -0.004784 0.007660 -0.011678 -0.001875 0.006010 -0.006327 28O 1f-3 0.002997 0.000380 0.003059 -0.001549 0.001250 0.001101 29O 1s 0.008175 0.000640 -0.006566 0.022420 -0.007645 0.012149 29O 2s 0.028177 0.005971 -0.020504 0.072775 -0.025401 0.037168 29O 3s -0.189121 -0.128985 0.087694 -0.383125 0.147545 -0.139539 29O 4s 0.281212 0.423706 -0.040378 0.322402 -0.259256 0.023239 29O 5s -0.082939 0.073683 0.336909 -0.544137 0.651633 -0.787293 29O 1pz 0.011444 0.031036 -0.123797 0.054181 -0.094456 0.093919 29O 1px -0.013297 -0.095396 0.114957 -0.149169 0.266348 -0.215886 29O 1py -0.134577 -0.212787 0.082693 -0.228445 0.184484 -0.093239 29O 2pz -0.079907 -0.081732 0.046654 0.059223 0.027252 -0.036797 29O 2px 0.001675 0.258525 -0.150175 0.140437 -0.389451 0.187932 29O 2py 0.194649 0.166167 -0.194054 0.494627 -0.329949 0.338069 29O 3pz -0.038822 0.006385 -0.222732 0.122286 -0.076920 0.087802 29O 3px 0.018666 0.080625 0.034596 -0.129193 0.022604 -0.118039 29O 3py -0.127697 -0.306126 -0.056013 -0.042924 0.068850 0.159816 29O 1dz2 -0.002248 -0.003111 -0.002863 0.005635 -0.002977 0.004123 29O 1dxz 0.002075 -0.003537 0.001197 0.003302 -0.000566 0.005794 29O 1dyz -0.002951 -0.001219 -0.001159 0.003190 -0.003340 0.001773 29O 1dx2y2 -0.003101 0.000001 0.003266 -0.005662 0.003200 -0.004218 29O 1dxy -0.000565 0.004136 0.002869 -0.001352 -0.001802 -0.001968 29O 2dz2 0.015477 0.055985 0.069894 -0.046758 0.044843 -0.083672 29O 2dxz 0.006494 0.026280 0.031189 -0.016455 0.009629 -0.021142 29O 2dyz 0.013073 -0.013311 0.075562 -0.059000 0.042539 -0.028528 29O 2dx2y2 -0.011525 0.007860 -0.018973 0.044686 -0.029378 0.025394 29O 2dxy 0.008902 -0.054183 0.029310 0.043487 -0.005178 0.064439 29O 1f0 -0.001429 -0.010541 -0.008103 0.011197 -0.002869 0.012685 29O 1f+1 -0.000211 0.003506 0.003218 -0.005052 0.002975 -0.007273 29O 1f-1 -0.004594 -0.015782 -0.010275 0.013089 -0.000247 0.012528 29O 1f+2 0.002977 0.001998 0.003451 -0.002718 0.003698 -0.003020 29O 1f-2 0.000128 -0.013422 0.004231 0.004936 0.005009 0.008510 29O 1f+3 0.002912 0.002733 -0.002706 0.005610 -0.002305 0.001725 29O 1f-3 -0.000748 0.002831 -0.002576 -0.002372 0.001460 -0.006277 30O 1s -0.002782 0.002945 0.000824 0.005229 0.004281 0.002461 30O 2s -0.009068 0.005985 -0.000404 0.017358 0.015622 0.009866 30O 3s 0.047716 0.021115 0.072017 -0.093178 -0.124038 -0.096352 30O 4s -0.065895 -0.377695 -0.587538 -0.025492 0.266528 0.351315 30O 5s 1.627724 0.617091 0.315616 -0.198066 0.288973 -0.296664 30O 1pz -0.118360 -0.195456 -0.198960 -0.052818 0.125879 -0.005736 30O 1px -0.054256 -0.115300 -0.064245 0.055757 0.053822 0.010637 30O 1py -0.033024 -0.149594 -0.233330 -0.010253 0.133834 0.051606 30O 2pz 0.055903 0.327623 0.400554 0.109487 -0.222597 -0.048531 30O 2px 0.144689 0.039116 -0.095423 -0.099938 0.000268 0.052335 30O 2py 0.172447 0.218502 0.194049 -0.044526 -0.108619 -0.037127 30O 3pz -0.045275 -0.305105 -0.071919 0.154933 0.375457 0.049230 30O 3px 0.310509 0.093554 0.013005 0.016935 -0.002203 -0.095337 30O 3py -0.122138 0.031673 -0.346294 -0.276789 -0.284988 -0.019424 30O 1dz2 0.003625 -0.004228 -0.008516 -0.000833 0.001937 0.002090 30O 1dxz 0.005258 0.000387 -0.004632 0.002268 -0.001815 0.001768 30O 1dyz -0.005909 -0.005454 -0.002112 0.001008 0.001035 0.000907 30O 1dx2y2 0.001212 -0.004058 -0.001229 -0.000382 -0.003454 0.001828 30O 1dxy -0.001165 0.001172 0.007728 -0.003721 -0.001786 0.000266 30O 2dz2 0.096216 -0.008770 -0.059764 -0.044932 -0.039796 0.034597 30O 2dxz 0.050746 -0.005011 -0.022383 0.017431 0.014249 0.013439 30O 2dyz -0.182070 -0.083789 -0.111352 -0.028271 -0.011864 0.024854 30O 2dx2y2 -0.092973 -0.121729 -0.132066 -0.002927 -0.076556 0.049874 30O 2dxy 0.039683 0.010114 -0.077476 -0.090167 -0.021236 0.018973 30O 1f0 0.005697 0.000093 -0.008406 -0.004727 0.001966 0.004264 30O 1f+1 -0.000871 -0.005708 0.002778 0.002757 -0.003764 0.005053 30O 1f-1 0.001306 0.000038 0.004816 -0.003645 0.000439 -0.001058 30O 1f+2 0.002057 0.010124 0.004391 -0.010080 0.004908 -0.004101 30O 1f-2 -0.004035 0.004849 0.007559 0.008223 -0.003309 -0.004477 30O 1f+3 0.002381 -0.001865 -0.005954 -0.011859 0.002968 0.002488 30O 1f-3 0.004781 -0.001226 -0.005668 -0.010470 -0.004589 0.005078 31O 1s -0.002931 0.003295 -0.000678 0.005075 0.004625 -0.002245 31O 2s -0.009505 0.007006 0.000865 0.016823 0.017067 -0.009063 31O 3s 0.048868 0.017836 -0.074049 -0.089483 -0.139261 0.088916 31O 4s -0.055783 -0.396437 0.589948 -0.032602 0.326942 -0.332576 31O 5s 1.637607 0.611314 -0.419385 -0.177407 0.206418 0.356314 31O 1pz 0.113976 0.197799 -0.192740 0.050814 -0.129194 -0.023917 31O 1px 0.050693 0.120839 -0.064662 -0.054744 -0.055126 0.007972 31O 1py 0.031195 0.150318 -0.226127 0.009933 -0.146590 0.034364 31O 2pz -0.045790 -0.338266 0.384484 -0.107118 0.235752 -0.017181 31O 2px -0.145928 -0.036347 -0.089361 0.098172 -0.009503 0.048192 31O 2py -0.175795 -0.209766 0.191592 0.044699 0.122574 -0.021744 31O 3pz 0.044910 0.306187 -0.067127 -0.148104 -0.389409 0.021033 31O 3px -0.317189 -0.085320 0.039141 -0.027911 0.030038 -0.102983 31O 3py 0.125014 -0.038470 -0.344003 0.260709 0.285560 -0.014422 31O 1dz2 0.003591 -0.004261 0.008600 -0.000833 0.002509 -0.001883 31O 1dxz 0.005312 -0.000013 0.004726 0.002158 -0.001535 -0.002187 31O 1dyz -0.006016 -0.005384 0.002202 0.001109 0.001102 -0.000919 31O 1dx2y2 0.001120 -0.003782 0.001305 -0.000327 -0.003032 -0.002016 31O 1dxy -0.001403 0.001700 -0.007595 -0.003676 -0.001761 -0.000286 31O 2dz2 0.095099 -0.007733 0.059938 -0.046005 -0.033291 -0.038341 31O 2dxz 0.050375 -0.005724 0.023381 0.015845 0.016959 -0.014221 31O 2dyz -0.181355 -0.087180 0.119126 -0.027544 -0.006735 -0.027817 31O 2dx2y2 -0.090337 -0.127130 0.138867 -0.002477 -0.066110 -0.058032 31O 2dxy 0.040976 0.009217 0.075866 -0.087927 -0.018708 -0.017563 31O 1f0 -0.006154 0.000582 -0.008053 0.004837 -0.002514 0.003966 31O 1f+1 0.000825 0.005695 0.002899 -0.002449 0.003050 0.005478 31O 1f-1 -0.001024 -0.000316 0.005119 0.003617 -0.000329 -0.001257 31O 1f+2 -0.001965 -0.010271 0.004460 0.009992 -0.004369 -0.004802 31O 1f-2 0.004133 -0.004946 0.007275 -0.008272 0.004064 -0.004008 31O 1f+3 -0.002319 0.001754 -0.005886 0.011807 -0.003515 0.001971 31O 1f-3 -0.004912 0.001385 -0.005547 0.010662 0.003943 0.005480 32O 1s 0.007815 0.001271 0.006244 0.022073 -0.005175 -0.013117 32O 2s 0.027232 0.007710 0.019419 0.071604 -0.017681 -0.040403 32O 3s -0.189730 -0.130901 -0.081142 -0.376032 0.114376 0.158870 32O 4s 0.298097 0.404136 0.033338 0.311101 -0.240674 -0.053815 32O 5s -0.060608 0.043334 -0.334515 -0.524717 0.509864 0.845262 32O 1pz -0.018275 -0.038770 -0.128519 -0.059189 0.084431 0.106453 32O 1px 0.000642 0.108815 0.113166 0.142342 -0.218304 -0.238523 32O 1py 0.139230 0.207594 0.075456 0.223359 -0.159701 -0.114393 32O 2pz 0.076240 0.083072 0.041833 -0.050298 -0.020794 -0.041582 32O 2px 0.002490 -0.269567 -0.152099 -0.131230 0.342912 0.222263 32O 2py -0.187044 -0.174371 -0.184295 -0.487473 0.261177 0.375460 32O 3pz 0.028130 -0.021515 -0.233938 -0.130385 0.074855 0.100411 32O 3px -0.039190 -0.062034 0.029014 0.128726 0.005458 -0.119011 32O 3py 0.143269 0.289180 -0.060862 0.039864 -0.087588 0.150028 32O 1dz2 -0.002188 -0.002743 0.003001 0.005663 -0.002324 -0.004544 32O 1dxz 0.001693 -0.003448 -0.001561 0.003024 0.000537 -0.005711 32O 1dyz -0.002696 -0.001176 0.001598 0.003301 -0.003234 -0.002433 32O 1dx2y2 -0.003133 -0.000156 -0.003291 -0.005615 0.002448 0.004636 32O 1dxy -0.000207 0.003853 -0.002743 -0.001323 -0.002287 0.001650 32O 2dz2 0.015528 0.047231 -0.072846 -0.043840 0.030707 0.087650 32O 2dxz 0.014835 0.018247 -0.028447 -0.016644 -0.000662 0.019887 32O 2dyz 0.005825 -0.010951 -0.083805 -0.062223 0.044617 0.039669 32O 2dx2y2 -0.013966 0.011628 0.020446 0.046050 -0.026160 -0.029376 32O 2dxy 0.001496 -0.049367 -0.033120 0.042480 0.005346 -0.063076 32O 1f0 0.001932 0.008525 -0.007395 -0.010376 0.000656 0.012127 32O 1f+1 -0.000306 -0.003696 0.003107 0.005314 -0.001467 -0.008053 32O 1f-1 0.004979 0.015032 -0.010771 -0.013747 -0.001541 0.013366 32O 1f+2 -0.003299 -0.002143 0.003981 0.003402 -0.003041 -0.004150 32O 1f-2 0.001330 0.012542 0.005218 -0.004210 -0.006788 0.007268 32O 1f+3 -0.003376 -0.002109 -0.002531 -0.005694 0.001781 0.002464 32O 1f-3 0.000007 -0.002337 -0.002987 0.001935 -0.000189 -0.005983 33O 1s -0.002750 0.001839 0.006030 0.003584 0.008531 -0.004219 33O 2s -0.004440 0.000925 0.017722 0.012111 0.026812 -0.015044 33O 3s -0.044596 0.081493 -0.048520 -0.069981 -0.126354 0.111865 33O 4s 0.493434 -0.614764 -0.386298 -0.053853 -0.026655 -0.308800 33O 5s -1.418277 0.142312 0.013720 0.972318 -1.565634 -0.105532 33O 1pz 0.105381 -0.006875 -0.053004 0.101265 -0.114791 -0.096727 33O 1px -0.031881 0.102671 -0.001662 -0.004164 -0.100054 0.080046 33O 1py -0.230591 0.003386 0.100922 -0.064077 0.195604 0.057867 33O 2pz -0.169461 -0.147583 -0.122511 -0.093086 -0.023899 0.042132 33O 2px -0.102996 0.087537 0.225592 -0.029082 0.310861 -0.008037 33O 2py 0.270248 0.009140 -0.161871 0.108099 -0.336480 -0.109591 33O 3pz -0.042726 0.419793 -0.049700 -0.233495 -0.324192 -0.000501 33O 3px 0.120487 0.037697 0.023409 -0.139905 0.491615 0.173037 33O 3py -0.198503 0.174316 -0.050984 -0.307577 0.209751 0.186449 33O 1dz2 -0.006613 0.007731 -0.001612 0.001269 0.003565 -0.002647 33O 1dxz 0.006255 -0.004140 -0.006549 0.002661 -0.000175 -0.006260 33O 1dyz -0.007874 0.002689 -0.004586 0.004663 -0.003000 -0.010337 33O 1dx2y2 0.001885 0.007353 0.004642 -0.002691 0.000730 0.005794 33O 1dxy -0.000664 -0.001617 0.000408 -0.000925 0.000531 -0.002622 33O 2dz2 -0.199520 0.106776 0.082554 0.107321 -0.019451 -0.008521 33O 2dxz 0.062328 0.017319 0.023629 0.007630 0.111714 -0.008066 33O 2dyz -0.173626 0.050137 0.046380 0.142000 -0.049935 -0.058077 33O 2dx2y2 0.154492 0.023392 -0.016137 -0.037261 0.021648 -0.007560 33O 2dxy 0.103782 -0.055662 -0.013372 0.001863 0.035027 -0.047057 33O 1f0 -0.006556 -0.005628 -0.007661 -0.005570 -0.009777 0.009447 33O 1f+1 0.005584 0.002243 0.000484 0.003578 0.010684 -0.010594 33O 1f-1 -0.010509 0.004660 -0.002191 -0.001240 -0.004216 -0.001953 33O 1f+2 0.007863 -0.011417 -0.008187 0.001037 -0.004701 -0.001793 33O 1f-2 0.000305 0.001422 -0.003058 0.005714 0.012281 -0.010832 33O 1f+3 0.004618 -0.007517 -0.011818 0.001719 -0.005197 -0.007000 33O 1f-3 -0.002690 -0.000558 0.003073 0.001514 -0.001430 0.000930 34O 1s -0.003241 -0.001234 -0.004436 0.005840 0.003851 0.005145 34O 2s -0.010585 -0.001547 -0.017050 0.018915 0.012747 0.017768 34O 3s 0.056319 -0.036440 0.151837 -0.099953 -0.078698 -0.124851 34O 4s -0.065305 0.326186 -0.537887 -0.015838 0.025638 0.248069 34O 5s 1.516123 -0.214824 0.861391 -0.300752 0.678229 -0.287779 34O 1pz 0.285473 -0.049786 0.232355 -0.063341 -0.116158 -0.146819 34O 1px 0.022456 0.022666 -0.022191 0.063158 -0.008624 0.016798 34O 1py 0.088777 0.076964 0.075300 0.016040 -0.161405 -0.084933 34O 2pz -0.392591 0.027432 -0.289503 0.078861 0.186696 0.193146 34O 2px 0.118955 0.031547 -0.047529 -0.146344 0.052715 -0.009822 34O 2py -0.234865 -0.025041 -0.174135 0.036976 0.191071 0.157378 34O 3pz 0.007927 0.061803 -0.104606 -0.076258 -0.225699 -0.086838 34O 3px 0.150800 0.320540 -0.120299 -0.199289 -0.237916 0.039397 34O 3py 0.298205 -0.164740 0.204838 0.185183 0.066097 -0.070844 34O 1dz2 0.001400 0.004011 -0.003274 0.001379 -0.001258 0.000306 34O 1dxz -0.000846 -0.000255 -0.002068 0.004465 0.002523 0.001708 34O 1dyz -0.001850 0.002659 -0.004444 -0.003997 -0.001333 -0.000892 34O 1dx2y2 -0.004381 0.008868 -0.001681 -0.002513 -0.000384 0.003461 34O 1dxy -0.005758 0.002862 -0.005124 -0.001838 0.000046 0.002597 34O 2dz2 -0.009850 0.035190 -0.042338 -0.004395 -0.028083 -0.000630 34O 2dxz 0.074408 -0.051378 0.085849 0.024608 0.065951 -0.031229 34O 2dyz -0.046988 0.061683 -0.125806 -0.100633 -0.049618 0.004273 34O 2dx2y2 -0.042294 0.148164 -0.103706 -0.067550 -0.076684 0.032947 34O 2dxy -0.175666 0.087378 -0.171664 0.019876 -0.094533 0.064647 34O 1f0 0.002935 0.002272 -0.000540 0.001221 -0.003352 0.001067 34O 1f+1 -0.002406 0.002204 0.004385 0.003171 0.000378 0.003079 34O 1f-1 0.002032 0.002144 -0.005635 -0.003753 -0.002099 -0.001702 34O 1f+2 -0.005405 0.008119 -0.007373 -0.003737 -0.003690 -0.001590 34O 1f-2 -0.004520 -0.002950 -0.002539 0.008610 -0.001054 0.001441 34O 1f+3 0.006208 -0.003624 0.004282 -0.012189 -0.001095 -0.004820 34O 1f-3 0.006836 -0.000769 0.010705 -0.013106 0.006482 0.000964 35O 1s 0.000534 0.001853 0.002508 0.003730 0.008019 0.003272 35O 2s -0.001296 0.008851 0.010118 0.012277 0.027065 0.013639 35O 3s 0.070075 -0.103068 -0.086404 -0.075219 -0.165449 -0.135974 35O 4s -0.475726 0.441927 0.315925 -0.000749 0.264046 0.496581 35O 5s -0.525301 -0.661688 -0.759879 1.296574 -1.853782 -1.496598 35O 1pz 0.121615 0.048770 -0.005294 0.042391 -0.100409 -0.005738 35O 1px 0.031035 0.172350 0.102527 0.064816 0.116673 -0.012032 35O 1py -0.117401 -0.346319 -0.189429 -0.035353 -0.085983 -0.016062 35O 2pz -0.155093 -0.154829 -0.059633 -0.026057 0.009713 -0.060120 35O 2px -0.245615 -0.167199 -0.155131 0.023726 -0.303976 -0.002811 35O 2py 0.100893 0.465826 0.215137 0.100649 0.038011 -0.020899 35O 3pz 0.246494 0.016382 0.168528 -0.353074 0.060780 0.220847 35O 3px -0.117207 0.323099 0.150796 0.192513 -0.526572 -0.303939 35O 3py -0.037022 -0.105324 0.073384 -0.207844 -0.167580 0.027792 35O 1dz2 0.004927 -0.003207 -0.002649 0.004816 -0.006061 -0.009192 35O 1dxz -0.001305 -0.005691 -0.004306 -0.000013 -0.000236 -0.003815 35O 1dyz 0.002846 -0.007253 -0.009934 0.004393 0.000537 -0.013818 35O 1dx2y2 0.000775 -0.001167 -0.002462 -0.003295 -0.004890 0.004790 35O 1dxy 0.002583 0.000656 -0.001628 0.000489 0.001888 -0.003259 35O 2dz2 0.105413 -0.061849 -0.105386 0.091467 -0.014581 -0.114717 35O 2dxz 0.003218 -0.144290 -0.118619 0.063710 -0.138400 -0.112833 35O 2dyz 0.068763 -0.180530 -0.224868 0.136361 -0.055212 -0.228105 35O 2dx2y2 -0.015330 0.141420 0.059970 -0.024611 -0.038826 0.068239 35O 2dxy 0.003676 -0.064885 -0.067444 0.048410 -0.073484 -0.101528 35O 1f0 0.004779 0.002930 0.002710 0.003739 0.011037 -0.007702 35O 1f+1 -0.006424 0.003690 0.008496 -0.009247 -0.005778 0.009076 35O 1f-1 0.006994 -0.009764 -0.006264 0.001939 -0.007332 -0.012074 35O 1f+2 0.000773 0.001664 0.001637 -0.003231 0.000424 0.006888 35O 1f-2 -0.009944 0.000668 0.000447 -0.004974 -0.014606 0.008600 35O 1f+3 -0.000800 0.003217 -0.002405 -0.009093 0.007102 0.008493 35O 1f-3 0.001963 -0.002228 0.004742 -0.000054 0.002300 -0.001648 462 463 464 465 466 467 2.71544 2.71862 2.72337 2.75114 2.75202 2.75744 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s -0.000799 0.001337 0.001218 0.000105 0.000773 -0.000035 0Rh 2s 0.005965 -0.011922 -0.008526 -0.000698 -0.001494 -0.000387 0Rh 3s -0.001098 0.000656 0.002015 0.000192 0.003665 -0.000445 0Rh 4s -0.031130 0.062122 0.044078 0.003490 0.007735 0.002045 0Rh 5s 0.060638 -0.127066 -0.077678 -0.003978 0.003459 -0.006825 0Rh 6s -0.042370 0.104791 0.014413 -0.016693 -0.076101 0.014586 0Rh 7s 0.115267 -0.194235 -0.305928 0.202090 0.329981 -0.053413 0Rh 8s -0.118817 -0.091624 0.255679 -0.081257 0.088800 -0.018377 0Rh 1pz 0.004259 0.000193 -0.003278 0.007158 0.005470 -0.002725 0Rh 1px 0.003799 0.000617 0.004116 0.004255 -0.000065 0.001282 0Rh 1py -0.009826 0.001758 -0.003905 0.000171 0.007074 -0.006630 0Rh 2pz -0.015075 -0.000750 0.012528 -0.026751 -0.019875 0.009626 0Rh 2px -0.013633 -0.001861 -0.016782 -0.015174 0.000366 -0.004700 0Rh 2py 0.035236 -0.006417 0.014167 -0.000983 -0.025661 0.024881 0Rh 3pz 0.009150 0.002101 -0.027126 0.045683 0.023667 -0.004874 0Rh 3px 0.012190 -0.005736 0.057285 0.010914 -0.002596 0.005946 0Rh 3py -0.030935 0.007891 -0.015962 0.008923 0.028190 -0.043545 0Rh 4pz 0.069146 -0.004591 0.021875 0.005839 0.037563 -0.051958 0Rh 4px 0.047340 0.036307 -0.117225 0.066845 0.004043 0.011409 0Rh 4py -0.123840 0.014130 -0.034573 -0.031483 0.069131 -0.008316 0Rh 5pz -0.125603 0.008884 -0.041498 -0.030513 -0.034995 0.109572 0Rh 5px -0.091057 -0.059256 0.233116 -0.138580 0.015600 -0.033463 0Rh 5py 0.229549 -0.029496 0.064597 0.063680 -0.132305 0.066702 0Rh 6pz 0.053974 0.091195 0.302421 0.241931 -0.280779 -0.122913 0Rh 6px 0.079328 0.006384 -0.668737 0.386231 -0.190816 0.283437 0Rh 6py -0.085219 -0.164299 -0.004827 -0.022448 -0.130126 -0.492010 0Rh 1dz2 0.007833 -0.016215 0.011562 -0.004522 0.006779 -0.007990 0Rh 1dxz -0.007279 -0.023947 0.019799 0.008176 0.011977 -0.000171 0Rh 1dyz -0.010802 -0.000607 -0.010201 -0.007186 0.006220 0.010377 0Rh 1dx2y2 -0.016778 0.018195 -0.019562 0.003547 -0.011310 0.008080 0Rh 1dxy 0.013127 -0.006199 0.001781 0.006444 0.002431 -0.008867 0Rh 2dz2 0.002110 0.000565 0.000659 0.002122 -0.002698 -0.001814 0Rh 2dxz -0.001011 -0.000172 0.000167 0.001179 -0.000052 0.000947 0Rh 2dyz 0.001769 0.002689 0.001877 0.002743 -0.004058 -0.002084 0Rh 2dx2y2 -0.001321 -0.000836 -0.000167 -0.001184 0.000469 -0.000869 0Rh 2dxy 0.002358 -0.001326 0.001647 0.001304 -0.001095 -0.001551 0Rh 3dz2 -0.032504 0.044654 -0.037191 0.003501 -0.007508 0.031864 0Rh 3dxz 0.025859 0.070782 -0.058967 -0.029389 -0.034879 -0.003794 0Rh 3dyz 0.023342 -0.010641 0.021241 0.008454 0.000614 -0.020889 0Rh 3dx2y2 0.054959 -0.049196 0.057892 -0.005143 0.030898 -0.019779 0Rh 3dxy -0.049156 0.024073 -0.012729 -0.025026 -0.002084 0.033263 0Rh 4dz2 0.035801 0.004863 0.020377 0.032669 -0.040585 -0.032589 0Rh 4dxz -0.018028 -0.010373 0.013454 0.020294 0.002357 0.014445 0Rh 4dyz 0.025641 0.043829 0.025938 0.041072 -0.066123 -0.030072 0Rh 4dx2y2 -0.025835 -0.008508 -0.008083 -0.015247 0.005733 -0.010578 0Rh 4dxy 0.041732 -0.021436 0.026233 0.024394 -0.017518 -0.027449 0Rh 5dz2 -0.041491 -0.188002 0.000459 -0.156703 0.227717 0.043293 0Rh 5dxz -0.000198 -0.226944 0.135567 0.033799 0.115018 -0.055009 0Rh 5dyz -0.204959 -0.185303 -0.197405 -0.192496 0.329456 0.208069 0Rh 5dx2y2 -0.092531 0.244587 -0.202039 0.066659 -0.163751 0.119200 0Rh 5dxy -0.014236 0.020378 -0.077550 -0.037262 0.099552 -0.022399 0Rh 1f0 0.069155 0.005069 0.004397 -0.015482 -0.003756 -0.022173 0Rh 1f+1 -0.001554 0.022722 0.017470 0.022825 -0.032245 0.006721 0Rh 1f-1 0.039200 0.000429 0.043424 -0.019492 -0.114616 -0.034870 0Rh 1f+2 0.069580 0.036106 0.019866 -0.001237 0.097283 -0.007607 0Rh 1f-2 0.095265 0.034383 0.028072 0.012249 -0.047870 -0.054472 0Rh 1f+3 -0.072077 0.001721 0.021029 0.010389 -0.015550 0.035821 0Rh 1f-3 0.029429 0.024810 0.014304 0.023447 -0.005404 -0.020376 1Rh 1s 0.000837 -0.001140 0.001294 0.000699 0.000404 0.000095 1Rh 2s -0.006226 0.010479 -0.009286 -0.001597 -0.000701 0.000439 1Rh 3s 0.001166 -0.000372 0.002004 0.003164 0.001964 0.000826 1Rh 4s 0.032479 -0.054652 0.048037 0.008335 0.003503 -0.002327 1Rh 5s -0.062988 0.113500 -0.086011 -0.001447 0.005121 0.009535 1Rh 6s 0.042677 -0.100477 0.021943 -0.054316 -0.057602 -0.025329 1Rh 7s -0.120690 0.157934 -0.315424 0.182204 0.347353 0.103974 1Rh 8s 0.124510 0.120135 0.240352 0.121035 -0.028303 0.020135 1Rh 1pz 0.004208 0.000294 0.003076 -0.001964 -0.009324 -0.003648 1Rh 1px 0.003688 0.000050 -0.004305 0.001829 -0.003836 0.000844 1Rh 1py -0.009821 0.002096 0.004035 -0.006434 -0.002896 -0.005901 1Rh 2pz -0.014898 -0.001188 -0.011789 0.006796 0.034564 0.013033 1Rh 2px -0.013189 0.000420 0.017425 -0.006551 0.013636 -0.003144 1Rh 2py 0.035220 -0.007630 -0.014623 0.023183 0.010786 0.022194 1Rh 3pz 0.009149 0.004047 0.026177 -0.001646 -0.053874 -0.009854 1Rh 3px 0.010825 -0.012937 -0.057112 0.004915 -0.009105 0.004853 1Rh 3py -0.030956 0.009005 0.016183 -0.022138 -0.017957 -0.039639 1Rh 4pz 0.067987 -0.009499 -0.023331 -0.034478 -0.024972 -0.055896 1Rh 4px 0.049860 0.049758 0.111827 0.031512 -0.061192 0.004911 1Rh 4py -0.123605 0.018437 0.036897 -0.076715 -0.002124 -0.005576 1Rh 5pz -0.123819 0.018521 0.045196 0.024935 0.050346 0.117270 1Rh 5px -0.096333 -0.085942 -0.222877 -0.084477 0.116606 -0.022527 1Rh 5py 0.228878 -0.039037 -0.068820 0.147067 -0.000408 0.063001 1Rh 6pz 0.050848 0.043522 -0.330367 0.347124 -0.101637 -0.101932 1Rh 6px 0.096933 0.085758 0.647824 0.352783 -0.263862 0.282366 1Rh 6py -0.085054 -0.154774 0.026437 0.129677 0.087454 -0.489206 1Rh 1dz2 -0.007663 0.017259 0.010056 0.008378 -0.000443 0.007847 1Rh 1dxz 0.007897 0.025952 0.017505 0.007557 0.014082 0.001162 1Rh 1dyz 0.010512 0.000183 -0.010505 0.009649 -0.003221 -0.008527 1Rh 1dx2y2 0.016304 -0.020851 -0.018655 -0.012015 -0.003074 -0.009386 1Rh 1dxy -0.013037 0.006705 0.001279 -0.000213 0.006494 0.008691 1Rh 2dz2 -0.002118 -0.000554 0.000790 -0.003545 0.000531 0.001851 1Rh 2dxz 0.001020 0.000203 0.000136 -0.000592 0.000981 -0.000975 1Rh 2dyz -0.001724 -0.002640 0.002332 -0.005229 0.000425 0.002435 1Rh 2dx2y2 0.001309 0.000764 -0.000270 0.000941 -0.000726 0.000924 1Rh 2dxy -0.002319 0.001451 0.001620 -0.001658 0.000682 0.001663 1Rh 3dz2 0.032032 -0.047778 -0.033401 -0.008301 -0.001153 -0.031595 1Rh 3dxz -0.027711 -0.076810 -0.052108 -0.019454 -0.045811 0.001027 1Rh 3dyz -0.022699 0.011662 0.020031 -0.004067 0.007586 0.013815 1Rh 3dx2y2 -0.053526 0.057291 0.055724 0.030902 0.012137 0.023357 1Rh 3dxy 0.048716 -0.026116 -0.011148 0.008322 -0.022287 -0.033278 1Rh 4dz2 -0.035674 -0.004032 0.022059 -0.053730 0.008645 0.032855 1Rh 4dxz 0.018456 0.011796 0.012098 -0.006954 0.018844 -0.014878 1Rh 4dyz -0.025068 -0.043287 0.033220 -0.083318 0.003769 0.036787 1Rh 4dx2y2 0.025591 0.006420 -0.009514 0.011529 -0.009474 0.011049 1Rh 4dxy -0.041095 0.023438 0.025818 -0.028036 0.013922 0.029479 1Rh 5dz2 0.041422 0.194517 -0.020296 0.287023 -0.023616 -0.043583 1Rh 5dxz 0.004449 0.241975 0.116548 0.092456 0.099259 0.070613 1Rh 5dyz 0.200155 0.179887 -0.228238 0.411658 -0.008445 -0.219878 1Rh 5dx2y2 0.087245 -0.266029 -0.185910 -0.176984 -0.032904 -0.136698 1Rh 5dxy 0.012585 -0.022120 -0.080566 0.116502 0.007337 0.010375 1Rh 1f0 0.069136 0.005248 -0.007107 -0.003523 0.013553 -0.026888 1Rh 1f+1 -0.001854 0.021237 -0.020884 0.040566 -0.005512 0.005062 1Rh 1f-1 0.040098 -0.001979 -0.045267 0.096854 0.068720 -0.033728 1Rh 1f+2 0.067949 0.032310 -0.022724 -0.086149 -0.043500 -0.018429 1Rh 1f-2 0.095050 0.033049 -0.033436 0.052411 0.012293 -0.061672 1Rh 1f+3 -0.072176 -0.000332 -0.019829 0.019060 -0.001808 0.041126 1Rh 1f-3 0.029078 0.022737 -0.016727 0.017441 -0.017188 -0.022609 2C 1s 0.001412 0.008757 0.003091 0.003346 -0.014941 0.000545 2C 2s 0.004503 0.029228 0.011039 0.012300 -0.050860 0.002182 2C 3s 0.054919 -0.006500 -0.224914 -0.260902 0.546398 -0.073094 2C 4s -0.460953 -0.656895 0.891425 1.189996 -1.595139 0.243448 2C 5s 0.036429 1.402647 0.338021 -0.058583 -1.125720 0.078409 2C 1pz 0.012194 -0.042830 -0.105809 -0.077139 0.175729 -0.018020 2C 1px -0.022562 -0.055796 -0.028692 -0.023127 0.115268 0.001202 2C 1py 0.008225 0.011990 -0.065448 -0.068056 0.189071 -0.010494 2C 2pz -0.104051 0.488949 0.797003 0.975227 -2.449488 0.000502 2C 2px 0.133397 0.480165 0.562310 0.458115 -1.595784 -0.057570 2C 2py -0.066556 0.938657 0.669678 0.568360 -1.204486 -0.039055 2C 3pz -0.036233 0.087888 0.006175 0.017256 -0.229765 0.016089 2C 3px 0.001893 0.168169 -0.097373 0.033976 -0.051528 0.025732 2C 3py -0.029100 0.293874 0.126840 0.025236 -0.066403 0.115972 2C 1dz2 -0.015389 -0.012320 -0.020134 -0.057001 0.216861 -0.005053 2C 1dxz 0.014103 -0.055738 -0.002115 0.016642 -0.085669 0.001104 2C 1dyz -0.030054 -0.198266 -0.072479 -0.019415 0.128591 0.015099 2C 1dx2y2 0.005597 0.040013 0.001374 -0.001242 0.018450 -0.014557 2C 1dxy -0.000459 0.053320 0.000649 -0.027049 0.098858 -0.018751 2C 2dz2 -0.033686 0.132749 0.169654 0.194723 -0.479270 -0.029711 2C 2dxz -0.031302 0.271646 0.011131 0.052133 0.032817 -0.040067 2C 2dyz 0.025960 0.475739 0.404329 0.380590 -1.149221 -0.028214 2C 2dx2y2 0.075163 0.036142 -0.045383 -0.044990 -0.146791 -0.013467 2C 2dxy 0.074605 0.040904 0.084210 0.138952 -0.507814 0.011377 2C 1f0 -0.010821 0.139697 0.025235 -0.022487 0.164635 0.019553 2C 1f+1 0.001835 -0.013522 -0.029973 -0.013614 -0.003035 0.011072 2C 1f-1 -0.015791 -0.039581 -0.004551 0.015218 -0.004361 -0.007090 2C 1f+2 0.011975 0.096890 -0.003338 -0.031904 0.047341 0.027690 2C 1f-2 -0.006276 -0.021667 -0.000050 -0.018574 0.033772 0.013371 2C 1f+3 0.011439 0.047506 -0.007884 -0.023621 0.042440 -0.014830 2C 1f-3 -0.011537 -0.041750 0.004762 0.021690 -0.030856 0.017183 3C 1s 0.012985 0.001539 -0.004664 -0.002320 -0.001141 0.005403 3C 2s 0.044239 0.004167 -0.015400 -0.009389 -0.004195 0.020884 3C 3s 0.106072 -0.070405 -0.212819 0.277240 0.082122 -0.515940 3C 4s -1.532253 0.194517 1.669921 -1.205898 -0.384898 2.339261 3C 5s 3.244981 0.748635 0.149996 0.346929 0.348184 -0.553001 3C 1pz -0.019708 -0.014763 -0.091695 0.046751 0.025528 -0.117003 3C 1px 0.009886 -0.022786 -0.006958 0.045614 0.016448 -0.085019 3C 1py 0.022181 0.028354 0.061425 -0.074140 -0.018454 0.152744 3C 2pz 0.820689 -0.016128 0.013486 -0.269083 0.067126 0.610054 3C 2px 0.401633 0.224191 0.050366 -0.282176 -0.169035 0.975203 3C 2py -1.340894 0.001430 -0.577484 0.739727 0.495921 -1.983440 3C 3pz 0.369651 0.099689 0.050073 -0.039923 0.055512 0.032596 3C 3px 0.168327 0.167464 -0.068627 -0.095252 0.054735 -0.010567 3C 3py -0.585309 -0.122404 -0.102820 -0.036250 -0.072185 0.064522 3C 1dz2 0.025220 -0.026556 0.015845 -0.034074 -0.037454 0.083258 3C 1dxz -0.112249 0.018496 0.008210 -0.004333 0.005452 0.001849 3C 1dyz 0.255071 -0.010125 -0.061411 -0.018913 -0.029503 0.083435 3C 1dx2y2 0.199027 -0.012651 -0.039074 0.003746 -0.012185 0.043427 3C 1dxy 0.156596 0.005865 -0.049717 -0.005307 0.044577 -0.019986 3C 2dz2 -0.046779 0.006032 0.014304 0.088365 0.108882 -0.205495 3C 2dxz 0.259294 -0.033563 0.082740 -0.100753 -0.022260 0.116846 3C 2dyz -0.639518 0.012351 -0.092113 0.241327 0.227743 -0.755938 3C 2dx2y2 -0.537732 0.063402 -0.053130 0.030730 -0.023606 -0.223449 3C 2dxy -0.343740 -0.067898 0.094591 0.125792 -0.006981 -0.319988 3C 1f0 0.012187 -0.005955 0.035375 -0.009209 -0.019506 0.031803 3C 1f+1 -0.014557 -0.002565 0.037332 -0.020828 -0.017352 0.034484 3C 1f-1 0.009774 0.018882 -0.057745 0.002467 0.052148 -0.072592 3C 1f+2 0.149530 -0.018652 -0.065420 0.019250 -0.005549 -0.041823 3C 1f-2 0.080655 0.003259 -0.051452 -0.004782 0.033989 -0.025147 3C 1f+3 -0.005141 -0.029293 0.007133 -0.001129 -0.022015 0.010779 3C 1f-3 0.004146 -0.016417 -0.007687 0.000707 -0.035624 0.022244 4C 1s -0.000540 -0.004652 0.000964 -0.002895 0.009153 -0.003948 4C 2s -0.000961 -0.011273 0.000761 -0.011147 0.033705 -0.012701 4C 3s -0.015863 0.227744 0.062018 0.255172 -0.925805 0.239507 4C 4s 0.098189 -1.244569 -0.048798 -1.108040 4.063091 -0.795659 4C 5s -0.009762 -0.746128 -0.115268 0.337843 0.385262 -0.380894 4C 1pz 0.010915 -0.029013 -0.056179 -0.077702 0.097258 0.038517 4C 1px -0.004505 0.001341 -0.015250 -0.006178 0.013175 0.025848 4C 1py 0.020093 0.000982 -0.040416 -0.053676 0.071009 0.030359 4C 2pz -0.139498 0.384036 0.888887 0.979084 -1.703916 -0.230984 4C 2px 0.018565 0.001784 0.348833 0.069891 -0.205100 -0.148856 4C 2py -0.102729 0.187162 0.674358 0.615657 -1.088261 -0.197516 4C 3pz -0.160813 0.316285 -0.062877 0.135780 -0.047455 0.423115 4C 3px -0.068656 -0.133997 0.117596 -0.077222 0.429214 0.108563 4C 3py -0.098473 -0.051230 -0.232904 -0.050534 0.310601 -0.119796 4C 1dz2 0.010375 -0.087009 0.016958 0.014114 -0.022377 -0.026936 4C 1dxz 0.013641 -0.068540 -0.015829 0.041853 -0.123978 -0.023488 4C 1dyz -0.045538 -0.093607 -0.054103 -0.012370 0.074656 0.020676 4C 1dx2y2 0.003020 -0.104741 0.002630 0.019373 -0.086325 0.000237 4C 1dxy -0.013031 0.057732 0.021231 -0.014825 0.115978 -0.000915 4C 2dz2 0.020318 -0.202864 -0.391389 -0.331519 0.618300 0.073903 4C 2dxz 0.186954 0.356495 0.017926 -0.135628 -0.224135 0.020614 4C 2dyz 0.080445 -0.088587 -0.235835 -0.355866 0.859959 -0.008342 4C 2dx2y2 -0.057167 0.166061 0.191498 0.151584 0.110465 -0.109216 4C 2dxy 0.071315 0.011676 0.023556 0.056209 -0.355186 -0.095285 4C 1f0 0.005484 0.114279 0.046048 -0.021827 0.101740 0.013889 4C 1f+1 0.017341 0.002987 0.013082 -0.012169 -0.034368 -0.055760 4C 1f-1 0.006467 0.070001 0.006367 0.000261 -0.069065 0.011920 4C 1f+2 -0.007799 -0.004245 0.003596 -0.008063 0.094402 0.039938 4C 1f-2 -0.000253 0.087877 0.039140 0.037267 -0.133342 0.089005 4C 1f+3 0.031433 0.029384 -0.040485 -0.036169 0.069710 -0.082135 4C 1f-3 -0.042715 -0.063460 0.049855 0.039616 -0.064164 0.096673 5C 1s -0.003858 0.000242 0.003784 0.005691 -0.000810 -0.003692 5C 2s -0.000922 0.000028 0.008060 0.020689 -0.001067 -0.016953 5C 3s 0.071262 0.060157 -0.166151 -0.454738 -0.001721 0.502675 5C 4s -1.147410 -0.118212 1.062902 1.751125 0.094324 -2.245639 5C 5s -1.118923 -0.154818 0.349906 0.005688 -0.491386 0.692334 5C 1pz -0.027600 0.007088 -0.046371 -0.001085 0.028459 -0.095877 5C 1px -0.042124 0.031433 0.004725 0.036048 0.023254 -0.053686 5C 1py 0.069222 -0.023593 0.064521 -0.013717 -0.049526 0.150550 5C 2pz 0.325977 -0.020461 0.538097 -0.200486 -0.274096 1.083913 5C 2px 0.335363 -0.107788 0.179061 -0.279147 -0.176696 0.533835 5C 2py -0.665387 0.066702 -0.882198 0.412201 0.463978 -1.799203 5C 3pz 0.563113 0.384509 0.408891 0.186421 0.116526 -0.326637 5C 3px 0.510893 0.075665 0.380720 0.112022 0.281571 -0.324279 5C 3py -1.057340 -0.689024 -0.494817 0.228922 -0.172254 0.125829 5C 1dz2 0.071949 -0.026668 -0.021581 0.028088 0.017992 -0.024859 5C 1dxz -0.056630 0.036687 -0.002796 -0.029214 0.041850 -0.032660 5C 1dyz 0.139662 -0.035083 -0.052694 -0.012547 -0.039121 0.051175 5C 1dx2y2 0.115924 0.028187 -0.017259 -0.004027 0.068271 -0.038034 5C 1dxy 0.113032 0.029011 -0.045827 -0.004979 0.015901 -0.043021 5C 2dz2 -0.069746 0.018175 -0.068995 -0.114501 0.039926 0.053549 5C 2dxz -0.149165 0.024577 -0.368486 0.020034 -0.015576 -0.108065 5C 2dyz 0.014919 0.103784 0.113353 -0.280743 -0.109144 0.584941 5C 2dx2y2 0.128668 0.027102 0.399902 -0.142762 -0.195269 0.609367 5C 2dxy 0.147589 -0.154597 0.439600 -0.046252 -0.054080 0.371598 5C 1f0 -0.142580 0.039189 0.060820 -0.050827 -0.028938 0.067897 5C 1f+1 -0.049663 0.007936 0.015964 -0.084244 0.002210 0.101436 5C 1f-1 0.011946 0.013718 -0.069272 -0.043530 0.017220 0.011267 5C 1f+2 -0.132323 0.000564 0.080207 0.090524 0.006351 -0.070337 5C 1f-2 -0.071066 -0.013592 0.013565 -0.014142 0.008734 -0.031441 5C 1f+3 0.092093 0.006241 -0.014257 -0.018149 -0.020592 0.036581 5C 1f-3 -0.003307 -0.020772 0.000464 -0.047868 -0.040274 0.068116 6C 1s 0.003991 0.000108 0.003759 -0.003619 0.004740 0.005354 6C 2s 0.001253 0.000618 0.008188 -0.011651 0.018069 0.022997 6C 3s -0.078875 -0.065954 -0.157858 0.255260 -0.407602 -0.667920 6C 4s 1.189563 0.176350 1.018847 -0.954162 1.597080 2.977168 6C 5s 1.127974 0.177359 0.303462 -0.468799 -0.185794 -0.577392 6C 1pz -0.026802 0.012051 0.046595 -0.019121 -0.009675 -0.109048 6C 1px -0.042967 0.032493 -0.007385 0.000387 -0.039055 -0.062249 6C 1py 0.067886 -0.031862 -0.063880 0.026135 0.029880 0.170374 6C 2pz 0.316721 -0.082585 -0.545704 0.070731 0.278669 1.280967 6C 2px 0.336513 -0.145714 -0.173281 -0.028554 0.304443 0.660013 6C 2py -0.648969 0.175683 0.893216 -0.081271 -0.532831 -2.131783 6C 3pz 0.549331 0.362526 -0.478657 0.004893 -0.244606 -0.270253 6C 3px 0.502545 0.050759 -0.414442 -0.193547 -0.246518 -0.326660 6C 3py -1.043939 -0.653673 0.603985 0.236207 -0.108390 0.029058 6C 1dz2 -0.071014 0.023484 -0.023460 0.003254 0.030802 0.028094 6C 1dxz 0.056447 -0.040661 -0.002759 0.050261 -0.005899 0.044235 6C 1dyz -0.142261 0.030556 -0.052945 -0.025168 -0.029378 -0.066453 6C 1dx2y2 -0.115543 -0.030903 -0.012003 0.063269 0.027800 0.046495 6C 1dxy -0.115333 -0.033502 -0.041116 0.017039 0.002071 0.048247 6C 2dz2 0.065129 -0.021214 -0.067091 0.097986 -0.084040 -0.064264 6C 2dxz 0.141409 -0.053741 -0.369191 -0.035881 -0.006963 0.107394 6C 2dyz -0.014397 -0.082647 0.121423 0.081729 -0.293298 -0.735297 6C 2dx2y2 -0.120800 0.020537 0.401892 -0.073019 -0.193488 -0.722051 6C 2dxy -0.135526 0.200015 0.438462 -0.000569 -0.046424 -0.429135 6C 1f0 -0.144148 0.030627 -0.061288 0.004810 0.059377 0.066454 6C 1f+1 -0.049820 0.001743 -0.014508 -0.043309 0.076018 0.103306 6C 1f-1 0.013769 0.018629 0.070524 -0.035551 0.034046 0.003970 6C 1f+2 -0.134904 -0.002846 -0.078004 0.040424 -0.086271 -0.080191 6C 1f-2 -0.072021 -0.013284 -0.010079 -0.008898 0.007941 -0.048662 6C 1f+3 0.092653 0.006320 0.008990 0.005188 0.025362 0.051046 6C 1f-3 -0.003114 -0.023634 0.002679 0.016853 0.063335 0.069247 7C 1s 0.000587 0.004902 0.000548 0.009311 0.001858 0.003317 7C 2s 0.001077 0.011732 -0.000224 0.034148 0.006305 0.010703 7C 3s 0.015142 -0.234719 0.082505 -0.911281 -0.210080 -0.191161 7C 4s -0.089986 1.310642 -0.157678 3.997351 0.922136 0.577379 7C 5s 0.009346 0.778496 -0.184183 0.258819 0.505742 0.305545 7C 1pz 0.012077 -0.020355 0.057279 -0.108354 0.025854 0.043008 7C 1px -0.004241 0.002837 0.015349 -0.011269 0.000266 0.028904 7C 1py 0.021211 0.007279 0.039215 -0.079168 0.016058 0.035939 7C 2pz -0.156755 0.263929 -0.912282 1.817950 -0.079051 -0.330464 7C 2px 0.012273 -0.046398 -0.349178 0.178793 0.025443 -0.181095 7C 2py -0.117484 0.097356 -0.688365 1.160353 -0.043736 -0.274376 7C 3pz -0.158248 0.305344 0.016361 0.077072 -0.074677 0.326923 7C 3px -0.077847 -0.167581 -0.107409 -0.454528 -0.147459 0.108714 7C 3py -0.092797 -0.059770 0.234272 -0.293360 -0.067992 -0.224360 7C 1dz2 -0.009728 0.093541 0.007746 -0.024858 0.001795 0.028982 7C 1dxz -0.014217 0.073012 -0.023020 -0.131514 -0.022506 0.024742 7C 1dyz 0.044074 0.091779 -0.062558 0.074176 0.024776 -0.022360 7C 1dx2y2 -0.002288 0.113064 -0.008658 -0.086463 -0.021400 0.005404 7C 1dxy 0.013949 -0.061193 0.026972 0.111888 0.040520 0.000049 7C 2dz2 -0.024509 0.157724 -0.408202 0.668524 0.000849 -0.110916 7C 2dxz -0.193379 -0.387323 0.065425 -0.192147 -0.237857 -0.044211 7C 2dyz -0.083831 0.051578 -0.242829 0.881045 0.086681 -0.040852 7C 2dx2y2 0.061719 -0.137060 0.206863 0.063695 0.183956 0.131036 7C 2dxy -0.076080 0.005768 0.027302 -0.366939 -0.124682 0.091349 7C 1f0 0.003414 0.116875 -0.058770 -0.105229 -0.028234 0.017720 7C 1f+1 0.017128 0.003372 -0.014340 0.026212 0.028570 -0.063597 7C 1f-1 0.005975 0.072780 -0.013049 0.061578 0.031116 0.007134 7C 1f+2 -0.008878 -0.002398 -0.003996 -0.091668 -0.040683 0.048739 7C 1f-2 -0.000388 0.089647 -0.049971 0.133173 0.026083 0.097707 7C 1f+3 0.032402 0.035181 0.036840 -0.074897 0.004610 -0.089443 7C 1f-3 -0.044140 -0.070783 -0.043603 0.065887 -0.011783 0.103760 8C 1s -0.013150 -0.001845 -0.004222 0.000662 -0.002656 -0.007564 8C 2s -0.044808 -0.005121 -0.013998 0.002843 -0.010450 -0.028369 8C 3s -0.109285 0.039590 -0.217542 -0.091230 0.278273 0.622363 8C 4s 1.567669 0.004260 1.654880 0.356048 -1.197080 -2.729543 8C 5s -3.241515 -0.750271 0.333061 0.194511 0.480544 0.253040 8C 1pz -0.017644 -0.002915 0.094301 0.007036 -0.051308 -0.140824 8C 1px 0.009938 -0.020282 0.007819 0.012525 -0.048653 -0.107770 8C 1py 0.021661 0.019878 -0.065052 -0.031674 0.072934 0.191976 8C 2pz 0.824286 -0.027504 -0.034354 -0.267267 0.182896 0.778401 8C 2px 0.402954 0.212773 -0.078608 -0.056136 0.323530 1.220645 8C 2py -1.337303 0.095347 0.613906 0.071281 -0.849308 -2.466427 8C 3pz 0.369450 0.095015 -0.071275 -0.079951 0.008258 0.070022 8C 3px 0.171156 0.174161 0.051183 -0.094049 0.059408 0.006909 8C 3py -0.582392 -0.113587 0.140260 0.056970 0.072696 -0.004903 8C 1dz2 -0.025564 0.030305 0.014329 -0.015008 -0.048410 -0.101083 8C 1dxz 0.112530 -0.019485 0.006534 0.004650 -0.001741 0.001982 8C 1dyz -0.257355 0.005471 -0.056519 -0.006730 -0.030318 -0.113500 8C 1dx2y2 -0.200512 0.010873 -0.034330 -0.006703 -0.001748 -0.059666 8C 1dxy -0.158510 -0.012047 -0.046146 0.047667 0.017351 0.016576 8C 2dz2 0.049801 -0.007308 0.015113 0.043190 0.130696 0.267305 8C 2dxz -0.259126 0.050159 0.085283 0.042680 -0.094552 -0.147989 8C 2dyz 0.641160 -0.034053 -0.107539 0.025987 0.310722 0.943132 8C 2dx2y2 0.537993 -0.072478 -0.066588 -0.070560 0.003294 0.293007 8C 2dxy 0.348194 0.073374 0.083186 -0.100025 0.100700 0.407709 8C 1f0 0.010832 -0.010903 -0.035579 0.013334 0.017670 0.038443 8C 1f+1 -0.013633 -0.006959 -0.035893 0.005631 0.025578 0.036826 8C 1f-1 0.010967 0.026761 0.057543 -0.044355 -0.023899 -0.087619 8C 1f+2 0.151175 -0.012084 0.063602 0.014549 -0.013339 -0.042563 8C 1f-2 0.082739 0.008584 0.050403 -0.032298 -0.010001 -0.030334 8C 1f+3 -0.005086 -0.031578 -0.004369 0.018884 0.011735 0.014489 8C 1f-3 0.005607 -0.018215 0.008437 0.032330 0.016464 0.028779 9C 1s -0.001454 -0.008821 0.003978 -0.015047 -0.004217 0.000225 9C 2s -0.004596 -0.029315 0.013940 -0.051244 -0.013415 0.000379 9C 3s -0.058777 -0.021797 -0.222889 0.561864 0.021746 0.040376 9C 4s 0.483416 0.817036 0.808366 -1.706366 0.334373 -0.119570 9C 5s -0.036365 -1.391990 0.499458 -1.052751 -0.642177 0.115905 9C 1pz 0.014744 -0.032583 0.109821 -0.176671 -0.012985 -0.005063 9C 1px -0.023012 -0.056608 0.035304 -0.115430 -0.035568 0.002610 9C 1py 0.008710 0.022658 0.063463 -0.193052 -0.028453 -0.002337 9C 2pz -0.118790 0.377500 -0.825676 2.485612 0.274325 -0.151956 9C 2px 0.131950 0.415118 -0.614564 1.630202 0.357215 -0.086897 9C 2py -0.076592 0.912805 -0.768303 1.275818 0.069213 -0.134140 9C 3pz -0.035303 0.077779 -0.018245 0.214954 0.101386 -0.036601 9C 3px 0.005827 0.179584 0.084930 0.076525 0.006047 0.012138 9C 3py -0.032698 0.294212 -0.157535 0.060354 0.011573 0.096627 9C 1dz2 0.015539 0.005612 -0.021046 0.220471 0.050327 -0.003166 9C 1dxz -0.014918 0.056548 -0.005176 -0.085885 -0.025851 -0.003755 9C 1dyz 0.028881 0.200489 -0.092242 0.122118 0.044223 -0.022380 9C 1dx2y2 -0.005320 -0.039843 0.005763 0.015529 0.006979 0.017466 9C 1dxy 0.000123 -0.060190 0.007078 0.100125 0.021435 0.016037 9C 2dz2 0.037665 -0.109678 0.179951 -0.483542 -0.048403 0.073098 9C 2dxz 0.031798 -0.276898 0.031666 0.015835 0.057219 0.059017 9C 2dyz -0.019979 -0.446914 0.450124 -1.157611 -0.200820 0.079584 9C 2dx2y2 -0.078402 -0.056189 -0.036689 -0.127820 -0.113086 -0.005361 9C 2dxy -0.076367 -0.027210 0.089435 -0.525217 -0.121112 -0.002052 9C 1f0 -0.011959 0.148674 -0.041297 -0.161772 -0.056815 0.023921 9C 1f+1 0.002645 -0.010650 0.030522 -0.005614 0.012441 0.011901 9C 1f-1 -0.015774 -0.040673 0.008236 0.007804 -0.011551 -0.005697 9C 1f+2 0.012419 0.106306 -0.008190 -0.053432 0.005503 0.032668 9C 1f-2 -0.006091 -0.016163 0.000731 -0.040912 -0.001204 0.016906 9C 1f+3 0.011893 0.054279 0.002841 -0.047677 0.001430 -0.016983 9C 1f-3 -0.011538 -0.044728 0.000888 0.034716 -0.005863 0.016322 10H 1s -0.031545 -0.023406 0.028462 0.018575 0.067310 -0.003509 10H 2s 0.012632 0.292423 -0.236374 -0.122936 0.265157 -0.022633 10H 3s -0.044600 -0.311546 0.018433 0.045286 0.098787 0.026469 10H 1pz -0.005650 -0.003957 -0.109385 -0.110229 0.289309 0.005928 10H 1px -0.038724 -0.245140 0.024413 -0.035025 0.207711 0.022848 10H 1py -0.039799 -0.140258 -0.088394 -0.052379 0.144168 0.013251 11H 1s 0.029092 0.094042 0.046268 0.012942 -0.070462 -0.013008 11H 2s 0.134489 0.073552 0.186359 0.296633 -1.383093 0.002901 11H 3s -0.044566 -0.196232 -0.181941 -0.028507 0.368553 0.034738 11H 1pz 0.031753 -0.044411 0.015898 0.044840 -0.231995 -0.019224 11H 1px 0.051642 0.047300 0.018931 0.085718 -0.477061 -0.018858 11H 1py -0.006566 -0.170449 -0.125346 -0.084044 0.278719 0.006538 12H 1s 0.001577 -0.018132 0.008443 0.033260 -0.173735 -0.020504 12H 2s 0.093709 1.008842 0.256382 0.040864 -0.200565 -0.065608 12H 3s -0.052287 -0.224174 -0.099991 -0.001368 0.255552 0.070765 12H 1pz -0.011902 -0.075906 -0.086156 -0.081334 0.286358 0.025357 12H 1px 0.049123 0.227460 0.017775 -0.004471 -0.098994 -0.007680 12H 1py 0.023560 0.372337 0.082962 0.004628 -0.048116 -0.035652 13H 1s 0.043599 0.001113 0.088456 0.013054 0.001679 0.017639 13H 2s 0.927412 -0.169414 -0.469133 0.044290 0.128716 -0.302914 13H 3s -0.456807 -0.052832 0.178024 -0.042441 -0.063935 0.144786 13H 1pz 0.275335 -0.054837 -0.102132 0.030303 0.025610 -0.085791 13H 1px -0.362279 0.010827 0.201468 0.021285 -0.004540 -0.030743 13H 1py -0.067627 0.050049 0.082067 -0.066499 -0.050492 0.211799 14H 1s 0.028064 0.005224 0.032835 -0.014301 -0.023185 0.076919 14H 2s 0.873028 0.069934 -0.533930 0.120299 0.160861 -0.038764 14H 3s -0.477275 0.003976 0.069230 -0.149871 -0.001233 0.057461 14H 1pz 0.152450 0.034468 -0.056874 0.045135 0.058051 -0.037552 14H 1px 0.360457 0.015192 -0.254274 0.047305 0.044409 -0.019378 14H 1py 0.247197 -0.033235 0.014149 -0.018297 -0.070023 0.151000 15H 1s 0.011077 0.005640 -0.067079 -0.007052 -0.005965 0.024302 15H 2s 0.857536 -0.045018 0.075245 -0.173288 -0.374599 0.639128 15H 3s -0.463493 -0.045010 -0.069189 -0.051559 0.057668 -0.087528 15H 1pz -0.438275 0.000951 0.019369 0.048162 0.084061 -0.231740 15H 1px 0.016523 -0.012859 -0.029806 -0.004547 -0.061887 0.048902 15H 1py -0.167916 0.012103 -0.014712 0.011910 0.108846 -0.122052 16H 1s -0.012046 -0.001627 -0.025862 0.008759 -0.005492 0.019524 16H 2s -0.023017 0.348078 -0.384200 0.045571 -0.255576 -0.086803 16H 3s -0.020607 0.072738 -0.153905 -0.015039 -0.007372 0.031836 16H 1pz -0.028426 0.203354 -0.260522 0.036419 -0.155630 -0.022793 16H 1px 0.025872 -0.083132 0.123178 -0.007739 0.016444 -0.005902 16H 1py 0.003966 0.021860 -0.009698 0.003759 -0.017882 -0.047084 17H 1s 0.006593 0.006205 -0.028806 0.006318 -0.006356 0.013767 17H 2s 0.075578 0.459001 -0.455277 0.022541 -0.170022 -0.058489 17H 3s 0.017537 0.084032 -0.146069 0.021897 -0.068934 0.002534 17H 1pz -0.041376 -0.143215 0.141508 0.000189 0.062711 0.009347 17H 1px 0.007896 -0.229770 0.289891 -0.021323 0.081593 -0.003787 17H 1py 0.041654 0.087165 -0.073511 -0.010844 -0.006571 -0.041081 18H 1s -0.006651 -0.010875 -0.028592 -0.009111 0.003915 -0.013847 18H 2s -0.087434 -0.498625 -0.418479 -0.163107 -0.096376 0.034173 18H 3s -0.020066 -0.098966 -0.137954 -0.072640 -0.013298 -0.004300 18H 1pz -0.046267 -0.159682 -0.132738 -0.057610 -0.040910 0.002121 18H 1px 0.001167 -0.258391 -0.272692 -0.084756 -0.033530 -0.013413 18H 1py 0.041752 0.086205 0.062991 -0.003364 0.019407 -0.035776 19H 1s 0.011313 -0.001934 -0.026482 -0.009357 0.005440 -0.020467 19H 2s 0.012503 -0.397473 -0.349044 -0.253651 -0.093074 0.075723 19H 3s 0.017148 -0.090853 -0.148340 -0.002632 -0.019394 -0.036636 19H 1pz -0.021320 0.235711 0.239009 0.158994 0.047552 -0.014809 19H 1px 0.024033 -0.099235 -0.118288 -0.022051 -0.003550 -0.007293 19H 1py 0.003632 0.029390 0.012131 0.019158 0.005760 -0.047299 20H 1s -0.013761 -0.013065 -0.066877 0.003307 -0.010010 -0.037136 20H 2s -0.859091 0.069237 0.091517 -0.216389 -0.329106 -0.803685 20H 3s 0.462725 0.036691 -0.085651 0.059079 -0.019094 0.144834 20H 1pz -0.439995 0.004531 -0.008895 -0.030998 -0.079781 -0.295561 20H 1px 0.020713 -0.011199 0.030169 0.054600 0.035154 0.066738 20H 1py -0.167519 0.016430 0.018361 -0.086898 -0.060948 -0.155165 21H 1s -0.026536 -0.000381 0.034386 -0.009007 -0.022187 -0.097447 21H 2s -0.887190 -0.133413 -0.508629 0.112047 0.179930 0.000542 21H 3s 0.478116 0.006277 0.053222 0.057911 -0.133125 -0.016983 21H 1pz 0.155941 0.043003 0.051788 -0.033569 -0.068451 -0.040201 21H 1px 0.365509 0.043906 0.245025 -0.027450 -0.060434 0.001592 21H 1py 0.249117 -0.037949 -0.018220 0.039194 0.045436 0.195123 22H 1s -0.041573 0.007700 0.090585 -0.001770 0.015693 -0.019258 22H 2s -0.941774 0.128581 -0.462506 0.102389 0.101722 0.320429 22H 3s 0.462444 0.071856 0.163009 -0.043234 -0.065573 -0.125432 22H 1pz 0.275370 -0.046784 0.098026 -0.009130 -0.039598 -0.091170 22H 1px -0.370482 -0.007227 -0.195916 0.026488 -0.016941 -0.063268 22H 1py -0.071509 0.041125 -0.084530 0.005049 0.081111 0.250013 23H 1s -0.002754 0.022860 0.005815 -0.173235 -0.053557 0.023677 23H 2s -0.091812 -1.048224 0.365981 -0.214534 -0.069895 0.086397 23H 3s 0.051944 0.223609 -0.128946 0.246865 0.125506 -0.091604 23H 1pz -0.010930 -0.069832 0.093882 -0.288795 -0.061972 0.043907 23H 1px 0.049707 0.240023 -0.041770 0.093262 0.053129 -0.007551 23H 1py 0.023743 0.388079 -0.123463 0.054658 0.024406 -0.042794 24H 1s -0.028122 -0.098481 0.058413 -0.069400 -0.022388 0.014535 24H 2s -0.136482 -0.019200 0.188722 -1.376733 -0.387227 0.023176 24H 3s 0.042049 0.178970 -0.203155 0.348745 0.151703 -0.047959 24H 1pz 0.031879 -0.058108 -0.010751 0.232927 0.069664 -0.022670 24H 1px 0.054627 0.042073 -0.024622 0.478741 0.151151 -0.028289 24H 1py -0.004063 -0.157924 0.140824 -0.273624 -0.053746 0.018982 25H 1s 0.033402 0.031351 0.024463 0.061192 0.049795 0.010083 25H 2s -0.015370 -0.333084 -0.215094 0.279117 0.015465 0.044530 25H 3s 0.046358 0.326218 -0.011874 0.093204 0.097665 -0.039413 25H 1pz -0.005146 0.013647 0.110044 -0.303639 -0.039995 0.006109 25H 1px -0.040455 -0.256832 -0.002757 -0.212582 -0.070936 0.037367 25H 1py -0.039216 -0.141200 0.104288 -0.154593 -0.025372 0.015835 26O 1s 0.000341 -0.007454 0.006351 -0.003258 0.008376 -0.002175 26O 2s 0.000957 -0.026352 0.020858 -0.011387 0.031008 -0.006880 26O 3s 0.001158 0.198846 -0.127505 0.087465 -0.241838 0.027706 26O 4s -0.072665 -0.543502 0.112930 -0.278712 0.799310 0.082695 26O 5s 0.193542 0.857199 -0.701589 0.210361 -1.689227 0.215347 26O 1pz -0.023634 0.097891 -0.100962 -0.102735 0.474821 -0.113664 26O 1px 0.031000 0.159328 -0.053613 -0.046211 0.010061 -0.071988 26O 1py -0.089639 -0.236658 0.068106 0.140778 -0.273171 0.241460 26O 2pz 0.007227 -0.201637 0.133230 0.166737 -0.596009 0.145204 26O 2px -0.024069 -0.171098 0.131136 0.133091 -0.060442 0.014463 26O 2py 0.112830 0.366632 -0.056976 -0.178898 0.507281 -0.387442 26O 3pz 0.024246 0.131723 0.002387 -0.007034 0.159399 -0.325375 26O 3px 0.041722 -0.091415 0.545637 -0.049738 0.235781 -0.385894 26O 3py -0.038719 -0.127512 0.364788 0.212723 -0.353291 0.172347 26O 1dz2 0.000682 0.002040 0.002252 -0.002824 0.005908 -0.002089 26O 1dxz 0.000762 0.001654 0.004408 -0.003599 0.010573 -0.001774 26O 1dyz 0.000271 -0.001734 -0.001805 -0.000430 -0.007922 0.000482 26O 1dx2y2 0.000625 0.006848 -0.000101 0.001028 0.007296 -0.006562 26O 1dxy -0.001861 -0.002562 0.003088 0.003129 -0.006262 0.001982 26O 2dz2 0.011806 0.026191 0.090451 0.035614 -0.060906 -0.003600 26O 2dxz 0.046461 0.064829 0.033826 -0.000174 -0.113599 0.023998 26O 2dyz 0.042925 0.059255 0.000507 0.046353 -0.240578 -0.021028 26O 2dx2y2 -0.030343 0.006823 -0.014465 0.011977 0.075575 0.046046 26O 2dxy 0.014782 0.031090 -0.040579 0.013923 -0.108574 -0.021600 26O 1f0 -0.001430 0.009859 0.007030 0.000893 0.001374 0.007963 26O 1f+1 -0.003316 -0.002529 0.002923 0.005198 -0.010419 0.008502 26O 1f-1 -0.000699 -0.006777 -0.004002 -0.000857 0.011140 0.002086 26O 1f+2 -0.000763 -0.002546 -0.005981 -0.001404 -0.004998 0.002468 26O 1f-2 0.000553 -0.005637 -0.004407 0.000144 0.003754 -0.006251 26O 1f+3 -0.003791 0.006984 -0.000220 -0.002742 0.013404 0.006603 26O 1f-3 0.004063 -0.003433 -0.002156 -0.001537 -0.006474 -0.006222 27O 1s -0.001540 -0.006253 0.008326 0.003052 0.003129 -0.003784 27O 2s -0.003293 -0.021452 0.028311 0.010930 0.010697 -0.014064 27O 3s -0.009839 0.138720 -0.185845 -0.075244 -0.079669 0.111876 27O 4s 0.152369 -0.197413 0.352646 0.163853 0.206286 -0.392659 27O 5s -0.646383 0.116676 -1.504148 -0.345175 -0.021785 0.440385 27O 1pz -0.032150 -0.031498 0.015348 -0.216771 -0.119977 0.260905 27O 1px 0.045023 0.050997 -0.064770 -0.066547 -0.033481 0.087275 27O 1py 0.040028 -0.063672 -0.109151 -0.166551 -0.132137 0.269085 27O 2pz 0.061970 0.062879 0.008188 0.299735 0.188586 -0.403325 27O 2px -0.028427 -0.082023 0.182059 0.117239 -0.007940 -0.068467 27O 2py -0.081556 0.116427 0.068651 0.212044 0.203361 -0.398494 27O 3pz -0.145731 -0.081661 -0.132587 -0.315784 -0.046519 0.439127 27O 3px 0.021289 0.104233 0.450049 0.010972 -0.096591 0.200189 27O 3py 0.233262 -0.008455 -0.078493 -0.170988 -0.122007 0.062131 27O 1dz2 0.002736 -0.003744 0.002700 0.003187 -0.002474 -0.001275 27O 1dxz -0.006033 0.000481 -0.000362 -0.004443 -0.001962 0.003854 27O 1dyz 0.012146 0.001674 0.001733 0.003346 0.000545 -0.005576 27O 1dx2y2 0.007225 -0.001379 0.004222 -0.002974 -0.000826 0.007264 27O 1dxy 0.009021 -0.002633 0.001009 -0.000341 -0.002774 0.003753 27O 2dz2 0.051861 -0.023602 0.061357 0.056149 -0.002844 -0.042327 27O 2dxz -0.081547 0.012624 -0.054148 0.039240 0.002550 -0.007937 27O 2dyz 0.156141 -0.003642 0.030526 0.041005 -0.013486 -0.087950 27O 2dx2y2 0.096811 -0.035643 0.005628 0.039487 0.017690 -0.048201 27O 2dxy 0.106049 -0.033048 0.133106 0.048382 0.023418 -0.041556 27O 1f0 -0.002725 -0.001819 0.001903 0.000950 -0.003168 0.008469 27O 1f+1 0.001836 0.000658 -0.002512 0.005052 0.001723 -0.005429 27O 1f-1 -0.006319 -0.002417 0.000837 -0.001886 0.000025 0.003711 27O 1f+2 -0.012706 0.003698 -0.002283 -0.009723 0.002187 0.005643 27O 1f-2 0.003512 -0.002676 -0.006725 0.002744 0.000340 -0.001890 27O 1f+3 -0.009228 -0.002864 0.005206 -0.001426 -0.000148 0.004361 27O 1f-3 -0.011969 -0.004667 0.004883 0.009321 -0.005312 -0.005429 28O 1s -0.001361 0.000091 0.002698 0.001125 0.006018 0.000139 28O 2s -0.003652 0.003064 0.010873 0.003635 0.014198 0.000172 28O 3s 0.005601 -0.072514 -0.102425 -0.025939 0.019795 -0.001719 28O 4s 0.120582 0.403280 0.291700 0.081614 -0.540196 0.010403 28O 5s 0.029420 -0.325509 -0.480838 -0.554086 0.040917 0.182003 28O 1pz 0.029657 -0.178615 -0.158118 -0.082270 0.016406 -0.147066 28O 1px 0.036664 -0.051953 -0.067846 -0.023642 -0.106087 -0.105360 28O 1py -0.026159 0.136062 0.193200 0.060630 0.001373 0.253729 28O 2pz -0.094060 0.193864 0.231211 0.116198 0.183291 0.173823 28O 2px 0.003873 0.190815 0.147099 0.028241 -0.102968 0.170341 28O 2py 0.020132 -0.204707 -0.269253 -0.083094 -0.014398 -0.365852 28O 3pz 0.030161 -0.270304 0.126114 -0.004708 -0.286995 -0.339091 28O 3px 0.060397 -0.002507 -0.327383 -0.219082 -0.078361 -0.034194 28O 3py -0.029745 0.027945 0.225320 0.101840 -0.474826 0.308349 28O 1dz2 0.000955 -0.010876 -0.006044 -0.000222 0.004882 -0.002604 28O 1dxz 0.002648 0.002097 0.000184 0.003305 -0.008816 -0.001429 28O 1dyz -0.000768 -0.002029 -0.003087 0.001513 0.008271 0.004538 28O 1dx2y2 -0.001740 -0.002343 0.002713 0.000096 -0.000702 0.000299 28O 1dxy 0.001016 -0.000250 -0.002405 0.000662 -0.002993 -0.004582 28O 2dz2 -0.029982 -0.165360 -0.046969 -0.040872 0.031263 0.063273 28O 2dxz -0.006146 -0.050544 0.037989 0.044184 -0.058146 -0.016899 28O 2dyz -0.030009 -0.097609 -0.039151 -0.080637 0.163812 0.007293 28O 2dx2y2 0.001277 0.003753 0.018379 0.047715 -0.144819 0.002437 28O 2dxy -0.005529 0.033863 0.024086 0.045871 -0.139200 0.028709 28O 1f0 -0.003548 -0.009342 0.002114 0.004867 -0.016108 0.004940 28O 1f+1 -0.002659 0.003532 0.005260 0.002609 -0.017335 0.010190 28O 1f-1 -0.001290 0.001976 -0.001235 -0.004432 0.006141 0.000365 28O 1f+2 -0.001198 -0.006159 -0.001605 0.002546 0.008462 -0.000199 28O 1f-2 0.003280 0.007895 0.000234 -0.005971 -0.000228 -0.005273 28O 1f+3 -0.004089 -0.007632 0.000567 0.002885 -0.006428 0.004802 28O 1f-3 0.002678 0.006874 0.004706 -0.000942 0.006905 -0.007815 29O 1s -0.002800 0.013545 -0.014758 0.001307 -0.010061 0.003214 29O 2s -0.009850 0.042103 -0.046128 0.004376 -0.032423 0.011911 29O 3s 0.069026 -0.174691 0.196257 -0.026049 0.164179 -0.099356 29O 4s -0.106959 0.069285 -0.155470 0.073145 -0.158077 0.219782 29O 5s 0.023002 -0.747818 1.194383 -0.247054 0.484803 -0.148647 29O 1pz -0.053898 0.049887 -0.151636 0.020924 -0.016817 0.021632 29O 1px 0.052566 -0.264105 0.480611 -0.071599 0.074115 -0.057176 29O 1py 0.101300 -0.138021 0.229443 -0.051175 0.092190 -0.131095 29O 2pz 0.042782 -0.049275 0.183560 -0.000397 -0.058984 -0.053635 29O 2px -0.100527 0.240826 -0.559086 0.101750 -0.052377 0.102431 29O 2py -0.139696 0.405760 -0.572123 0.093924 -0.237715 0.165470 29O 3pz -0.074356 0.006976 -0.090899 -0.062524 0.035769 0.002954 29O 3px -0.000272 -0.174593 0.248868 0.015937 0.034390 0.018440 29O 3py 0.085252 0.111444 -0.099101 -0.001400 -0.040485 -0.038165 29O 1dz2 0.000076 0.004334 -0.004853 -0.000407 -0.003214 -0.000311 29O 1dxz -0.000244 0.005471 -0.005494 0.002055 -0.004939 0.000374 29O 1dyz -0.000722 0.000155 0.001363 0.001674 -0.002704 -0.000088 29O 1dx2y2 0.000538 -0.004603 0.003281 -0.000511 0.003187 0.000053 29O 1dxy 0.001106 -0.003360 0.003488 0.000791 0.000288 -0.002926 29O 2dz2 0.019370 -0.045883 0.071883 -0.016186 0.030624 0.031835 29O 2dxz -0.015304 -0.070972 0.095760 0.025109 -0.020722 0.014492 29O 2dyz 0.023294 0.017103 0.003721 0.002906 0.020860 0.004564 29O 2dx2y2 -0.024747 0.023830 -0.070665 0.002295 -0.016448 0.016597 29O 2dxy 0.036564 0.068283 -0.066630 0.004760 -0.044055 -0.036388 29O 1f0 -0.000124 0.013329 -0.016295 0.000345 -0.005352 -0.002228 29O 1f+1 0.001178 -0.006574 0.009168 -0.001580 0.003082 0.000120 29O 1f-1 0.000740 0.010335 -0.009668 -0.000325 -0.005655 -0.004680 29O 1f+2 0.000621 -0.003397 0.006314 0.000235 0.000599 0.001396 29O 1f-2 0.001698 0.009515 -0.006732 -0.000380 -0.003463 -0.001582 29O 1f+3 -0.000918 0.001316 0.000003 0.000643 -0.002757 0.001873 29O 1f-3 -0.001429 -0.006549 0.007410 -0.001215 0.001961 0.003025 30O 1s -0.003436 0.000824 0.005687 0.004192 0.000010 0.000017 30O 2s -0.010983 0.004010 0.017900 0.013681 -0.000382 0.001077 30O 3s 0.060529 -0.058942 -0.085930 -0.071688 0.005666 -0.025769 30O 4s -0.095547 0.301146 -0.006082 0.012498 -0.007857 0.084928 30O 5s -0.110439 -0.489268 -1.442314 -0.224801 0.158262 -0.441927 30O 1pz -0.002086 0.034176 -0.157396 -0.242208 0.013843 0.136865 30O 1px -0.068618 -0.005425 -0.025821 -0.035852 -0.016706 0.052200 30O 1py -0.050738 0.054033 -0.094887 -0.160054 0.018870 0.153964 30O 2pz 0.044803 -0.101866 0.338804 0.420238 -0.014239 -0.197504 30O 2px 0.065441 0.078446 -0.083808 -0.006492 0.026757 -0.054239 30O 2py 0.031232 -0.065047 -0.015975 0.171704 -0.022920 -0.215158 30O 3pz -0.039965 0.107009 0.101449 -0.228746 -0.259080 0.526522 30O 3px -0.085132 -0.148516 -0.661271 -0.219523 0.005993 -0.060291 30O 3py 0.052894 0.046098 -0.203449 -0.397716 0.276015 -0.082318 30O 1dz2 -0.000823 0.004053 0.002275 -0.006941 0.001462 0.001688 30O 1dxz -0.004717 0.000514 -0.001410 -0.001579 -0.000498 -0.000119 30O 1dyz 0.008617 -0.002282 -0.000531 0.000241 -0.001712 0.001318 30O 1dx2y2 0.007585 0.003548 -0.001767 -0.001299 -0.000676 0.002916 30O 1dxy 0.007416 0.002384 0.005810 0.004448 0.000986 -0.003977 30O 2dz2 0.008174 0.017631 0.029580 0.034140 0.033675 -0.111199 30O 2dxz -0.017407 0.005900 0.013725 -0.009196 -0.006149 0.014119 30O 2dyz 0.089005 0.010462 0.065713 -0.022816 -0.021892 0.087572 30O 2dx2y2 0.062325 0.060694 0.024924 -0.013372 -0.006149 0.052201 30O 2dxy 0.053519 0.005915 -0.043305 -0.017794 0.029130 -0.033151 30O 1f0 -0.001693 0.000049 -0.008046 0.002870 0.002491 -0.002321 30O 1f+1 -0.001276 0.003959 0.005243 0.004762 0.001308 -0.003061 30O 1f-1 0.003842 0.003808 0.000097 -0.007665 -0.003215 0.006312 30O 1f+2 0.006079 -0.000843 0.001836 -0.003696 -0.000755 0.011404 30O 1f-2 -0.009488 -0.004470 0.007234 0.001758 -0.002624 0.002134 30O 1f+3 0.012933 0.001751 -0.001733 -0.000239 0.003455 0.000428 30O 1f-3 0.007708 -0.002970 -0.002949 0.009779 0.004286 -0.013909 31O 1s 0.003641 -0.000089 0.005689 -0.002153 0.003572 0.000667 31O 2s 0.011637 -0.001649 0.017991 -0.007328 0.011358 0.000622 31O 3s -0.063750 0.045650 -0.089254 0.040525 -0.055156 0.026037 31O 4s 0.095759 -0.291095 0.013641 -0.017160 -0.011690 -0.123250 31O 5s 0.070049 0.364511 -1.484637 0.281002 -0.152881 0.435417 31O 1pz 0.005269 0.038751 0.161622 -0.124759 0.214774 0.117981 31O 1px -0.067716 -0.004328 0.031092 0.000011 0.042693 0.054924 31O 1py -0.045868 0.055024 0.097163 -0.095633 0.139092 0.148767 31O 2pz 0.030225 -0.117467 -0.341397 0.209956 -0.379898 -0.182556 31O 2px 0.067936 0.084505 0.071683 -0.033456 -0.005162 -0.034873 31O 2py 0.028377 -0.055567 0.012722 0.103937 -0.144306 -0.195043 31O 3pz -0.040114 0.081365 -0.109344 0.113067 0.329952 0.549288 31O 3px -0.067533 -0.090319 0.682907 -0.112400 0.205089 -0.030098 31O 3py 0.060961 0.062716 0.211795 -0.418092 0.234776 -0.112019 31O 1dz2 0.000794 -0.003755 0.002351 0.004474 -0.005709 -0.001336 31O 1dxz 0.004704 -0.000942 -0.001481 0.000209 -0.001646 -0.000099 31O 1dyz -0.008589 0.002218 -0.000655 -0.001406 -0.000481 -0.002833 31O 1dx2y2 -0.007665 -0.003782 -0.001368 0.000351 -0.001432 -0.003895 31O 1dxy -0.007231 -0.001791 0.006322 -0.001208 0.004457 0.004128 31O 2dz2 -0.007965 -0.019351 0.030223 0.010492 0.047123 0.128189 31O 2dxz 0.017925 -0.006054 0.013956 -0.000787 -0.011829 -0.012072 31O 2dyz -0.086983 -0.003899 0.066567 -0.010318 -0.027341 -0.098757 31O 2dx2y2 -0.061980 -0.061170 0.029536 0.002332 -0.011537 -0.068560 31O 2dxy -0.054286 -0.009403 -0.043095 0.033020 -0.004245 0.036892 31O 1f0 -0.001471 0.000884 0.008044 -0.001290 -0.003565 -0.001863 31O 1f+1 -0.001282 0.003858 -0.005741 0.000769 -0.005269 -0.002531 31O 1f-1 0.003956 0.003604 -0.000714 -0.000783 0.008262 0.007386 31O 1f+2 0.005986 -0.001433 -0.002068 -0.001346 0.003701 0.011895 31O 1f-2 -0.009754 -0.004988 -0.006596 0.003436 -0.000596 0.000605 31O 1f+3 0.012969 0.001781 0.001344 -0.003398 -0.001203 0.000903 31O 1f-3 0.007770 -0.002052 0.003027 0.000983 -0.011006 -0.015764 32O 1s 0.002449 -0.015323 -0.013765 -0.009553 -0.004242 -0.004309 32O 2s 0.008753 -0.047705 -0.043071 -0.030833 -0.013438 -0.015475 32O 3s -0.064459 0.199871 0.184633 0.157265 0.062319 0.118420 32O 4s 0.103657 -0.093085 -0.152846 -0.174863 -0.011551 -0.238096 32O 5s 0.006056 0.886246 1.126801 0.561994 0.049151 0.183729 32O 1pz -0.051817 0.070855 0.149417 0.029193 -0.011349 0.023494 32O 1px 0.041907 -0.318066 -0.458374 -0.110070 0.020195 -0.058600 32O 1py 0.095360 -0.167608 -0.219947 -0.112491 -0.001932 -0.138326 32O 2pz 0.040890 -0.075077 -0.192120 0.044697 0.023396 -0.057335 32O 2px -0.088520 0.304198 0.535763 0.108445 -0.064375 0.096713 32O 2py -0.126128 0.474024 0.540671 0.268823 0.045955 0.184483 32O 3pz -0.073810 0.018998 0.088592 -0.058662 0.034528 0.001529 32O 3px -0.005639 -0.199033 -0.235614 -0.026637 -0.035091 0.015722 32O 3py 0.086990 0.117870 0.086212 0.032102 0.028613 -0.034377 32O 1dz2 -0.000237 -0.005039 -0.004491 -0.002794 -0.002098 0.000215 32O 1dxz 0.000074 -0.006036 -0.005095 -0.005298 -0.000808 -0.000768 32O 1dyz 0.000730 -0.000344 0.001383 -0.003330 0.000322 0.000125 32O 1dx2y2 -0.000480 0.005059 0.002903 0.003177 0.001365 0.000364 32O 1dxy -0.001048 0.003522 0.003194 -0.000277 0.001030 0.003212 32O 2dz2 -0.016970 0.056198 0.068546 0.032150 -0.000025 -0.030168 32O 2dxz 0.017507 0.081206 0.092453 -0.029208 0.018011 -0.011894 32O 2dyz -0.022636 -0.012061 0.004771 0.018812 0.009415 -0.007502 32O 2dx2y2 0.023716 -0.030658 -0.067372 -0.017102 -0.004652 -0.015996 32O 2dxy -0.037789 -0.073392 -0.059443 -0.043091 -0.022153 0.032209 32O 1f0 0.000212 0.014310 0.014545 0.004702 0.002751 -0.001441 32O 1f+1 0.000864 -0.008186 -0.009143 -0.003770 -0.000485 -0.000020 32O 1f-1 0.001081 0.012130 0.009203 0.005100 0.003527 -0.004440 32O 1f+2 0.000393 -0.004872 -0.006521 -0.000815 -0.000729 0.001696 32O 1f-2 0.001976 0.009459 0.005603 0.002630 0.002755 -0.001041 32O 1f+3 -0.000818 0.001867 0.000172 0.002922 0.000884 0.002054 32O 1f-3 -0.001660 -0.007019 -0.006651 -0.002342 -0.000318 0.002898 33O 1s 0.001491 0.000454 0.002617 0.005029 0.003729 0.000239 33O 2s 0.004056 -0.001189 0.010912 0.011314 0.009480 0.001071 33O 3s -0.007707 0.059917 -0.108990 0.032570 -0.009196 -0.006527 33O 4s -0.121010 -0.382945 0.338900 -0.558988 -0.203233 -0.002440 33O 5s -0.035512 0.222263 -0.514997 0.274855 -0.427615 -0.209906 33O 1pz 0.034271 -0.173121 0.175734 -0.039781 0.070434 -0.163991 33O 1px 0.040194 -0.049158 0.072477 0.097526 0.077388 -0.115815 33O 1py -0.030892 0.133347 -0.209324 0.007588 -0.067391 0.289918 33O 2pz -0.102057 0.176997 -0.246278 -0.140015 -0.199112 0.196004 33O 2px 0.000650 0.191583 -0.169273 0.099895 0.018253 0.185498 33O 2py 0.027052 -0.205095 0.293935 0.000299 0.098306 -0.416868 33O 3pz 0.030835 -0.284949 -0.105603 0.257873 0.141438 -0.353190 33O 3px 0.070636 0.050212 0.330628 -0.000291 0.233069 -0.049581 33O 3py -0.033325 0.022890 -0.234595 0.444947 0.105334 0.348635 33O 1dz2 -0.001012 0.010759 -0.007087 0.004093 0.001963 0.002795 33O 1dxz -0.002698 -0.002182 0.000564 -0.009834 -0.001545 0.001317 33O 1dyz 0.000794 0.001454 -0.003135 0.007112 0.005469 -0.005082 33O 1dx2y2 0.001827 0.002868 0.002362 -0.000632 -0.000048 -0.000044 33O 1dxy -0.001088 0.000057 -0.002430 -0.003342 -0.001038 0.005031 33O 2dz2 0.030650 0.166207 -0.065144 0.051911 -0.013814 -0.072497 33O 2dxz 0.006799 0.058497 0.033065 -0.069799 0.011105 0.019162 33O 2dyz 0.030754 0.089056 -0.049866 0.187628 0.009951 -0.005046 33O 2dx2y2 -0.002230 0.000244 0.018396 -0.155277 -0.026956 0.001332 33O 2dxy 0.005434 -0.030648 0.028227 -0.141309 -0.023516 -0.030273 33O 1f0 -0.003520 -0.010307 -0.000981 0.016429 0.002949 0.004922 33O 1f+1 -0.002726 0.003231 -0.005634 0.016591 0.005331 0.010361 33O 1f-1 -0.001204 0.001999 0.001177 -0.007465 0.001111 0.000702 33O 1f+2 -0.001284 -0.006446 0.002259 -0.006961 -0.006515 0.000108 33O 1f-2 0.003310 0.008349 -0.000939 -0.001638 0.005676 -0.005937 33O 1f+3 -0.004072 -0.008375 0.000500 0.006631 -0.000029 0.005164 33O 1f-3 0.002494 0.006721 -0.005318 -0.006647 -0.001968 -0.008930 34O 1s 0.001754 0.007329 0.007876 0.001540 0.004299 0.004261 34O 2s 0.004018 0.025105 0.026827 0.004997 0.015133 0.015899 34O 3s 0.005109 -0.162550 -0.178134 -0.039639 -0.106526 -0.126019 34O 4s -0.142855 0.235629 0.353040 0.101697 0.244465 0.453769 34O 5s 0.608341 -0.250993 -1.520926 0.176800 -0.371050 -0.548186 34O 1pz -0.032031 -0.049893 -0.012793 0.010124 0.252590 0.265113 34O 1px 0.046802 0.056040 0.059473 -0.001009 0.077200 0.098754 34O 1py 0.043734 -0.066186 0.113810 0.033592 0.216021 0.307873 34O 2pz 0.061059 0.086405 -0.014093 -0.032735 -0.362346 -0.420660 34O 2px -0.033120 -0.098518 -0.169947 0.063088 -0.111743 -0.086030 34O 2py -0.083976 0.129054 -0.077223 -0.074047 -0.287551 -0.449269 34O 3pz -0.140971 -0.085117 0.149670 -0.118794 0.314037 0.456031 34O 3px 0.011258 0.051690 -0.460845 0.077875 0.022594 0.197747 34O 3py 0.233799 -0.008930 0.074318 0.044945 0.221871 0.078611 34O 1dz2 -0.002632 0.003981 0.002402 -0.003703 0.001350 0.000821 34O 1dxz 0.006046 -0.000282 -0.000447 0.000173 -0.005246 -0.004273 34O 1dyz -0.012131 -0.001562 0.002150 -0.001251 0.003335 0.006410 34O 1dx2y2 -0.007092 0.002025 0.004246 0.000879 -0.002739 -0.008071 34O 1dxy -0.009041 0.002920 0.000986 -0.002188 -0.001462 -0.004291 34O 2dz2 -0.049419 0.027837 0.061465 -0.029658 0.048517 0.044365 34O 2dxz 0.080748 -0.018210 -0.054965 -0.015379 0.032851 0.000465 34O 2dyz -0.155748 0.005902 0.034768 -0.037865 0.030295 0.106641 34O 2dx2y2 -0.096082 0.034325 0.006281 -0.004766 0.045299 0.051555 34O 2dxy -0.102791 0.044661 0.134877 -0.003426 0.061801 0.051838 34O 1f0 -0.002728 -0.002189 -0.001711 0.002661 0.000461 0.010810 34O 1f+1 0.001865 0.001162 0.002007 0.000544 -0.005410 -0.004306 34O 1f-1 -0.006373 -0.002570 -0.000273 -0.001025 0.001685 0.003923 34O 1f+2 -0.012610 0.003826 0.002413 -0.006721 0.007781 0.005641 34O 1f-2 0.003694 -0.002091 0.006906 0.000966 -0.002249 -0.001788 34O 1f+3 -0.009422 -0.003528 -0.004786 -0.000677 0.001382 0.005143 34O 1f-3 -0.012145 -0.004639 -0.004271 0.009479 -0.006120 -0.005510 35O 1s -0.000134 0.008551 0.005665 0.009425 0.001395 0.002485 35O 2s -0.000234 0.030008 0.018413 0.034512 0.005683 0.008018 35O 3s -0.006441 -0.221531 -0.108787 -0.268354 -0.045233 -0.036576 35O 4s 0.084308 0.572465 0.058743 0.870758 0.151378 -0.067285 35O 5s -0.219663 -1.021457 -0.614796 -1.701206 -0.629469 -0.269558 35O 1pz -0.023268 0.109077 0.094364 -0.471461 -0.121814 -0.125952 35O 1px 0.033807 0.174174 0.036653 -0.020049 0.045036 -0.075733 35O 1py -0.092885 -0.258633 -0.041411 0.294139 -0.013625 0.260871 35O 2pz 0.005966 -0.223544 -0.116442 0.602676 0.116907 0.157585 35O 2px -0.027260 -0.205045 -0.112616 0.100475 -0.098632 0.015721 35O 2py 0.116547 0.392207 0.016643 -0.518200 -0.054424 -0.419663 35O 3pz 0.021918 0.131849 -0.012414 -0.136567 -0.055991 -0.325937 35O 3px 0.029635 -0.171308 -0.541807 -0.243816 -0.061579 -0.393432 35O 3py -0.048967 -0.183890 -0.357503 0.380110 -0.046156 0.216655 35O 1dz2 -0.000631 -0.002361 0.002445 0.006317 0.000172 0.001837 35O 1dxz -0.000629 -0.001494 0.004543 0.010888 0.001555 0.001717 35O 1dyz -0.000384 0.001646 -0.001802 -0.007026 -0.004065 -0.001026 35O 1dx2y2 -0.000606 -0.007511 0.000612 0.005887 0.004058 0.007274 35O 1dxy 0.001927 0.002987 0.002800 -0.006935 0.000068 -0.002092 35O 2dz2 -0.010363 -0.019895 0.094096 -0.069905 0.002893 0.000288 35O 2dxz -0.047136 -0.070098 0.042844 -0.110256 -0.054563 -0.033183 35O 2dyz -0.044737 -0.063109 0.010396 -0.243396 -0.075303 0.016542 35O 2dx2y2 0.031214 -0.012636 -0.015082 0.068786 0.050108 -0.044916 35O 2dxy -0.016677 -0.039551 -0.037393 -0.111565 -0.042098 0.021658 35O 1f0 -0.001625 0.009813 -0.008175 -0.001243 -0.001801 0.008551 35O 1f+1 -0.003311 -0.002796 -0.002751 0.010915 -0.000025 0.008875 35O 1f-1 -0.000759 -0.006921 0.004735 -0.010594 -0.004493 0.001785 35O 1f+2 -0.000566 -0.002114 0.006247 0.004084 0.003617 0.003174 35O 1f-2 0.000627 -0.005692 0.004978 -0.003333 -0.001581 -0.006696 35O 1f+3 -0.003833 0.007964 -0.000477 -0.013586 -0.004065 0.007660 35O 1f-3 0.004036 -0.003275 0.002402 0.005714 0.004694 -0.007592 468 469 470 471 472 473 2.75896 2.77294 2.77779 2.78739 2.79548 2.80364 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s -0.000101 -0.000934 -0.000065 0.001472 0.000177 -0.000647 0Rh 2s 0.004004 0.004440 -0.002466 -0.020211 -0.002734 0.012062 0Rh 3s 0.001839 -0.002831 -0.001882 -0.003582 -0.000618 0.003508 0Rh 4s -0.020881 -0.023288 0.012860 0.105253 0.014168 -0.062812 0Rh 5s 0.053383 0.036063 -0.036776 -0.235949 -0.031300 0.147632 0Rh 6s -0.085599 0.005904 0.070772 0.266282 0.028557 -0.190270 0Rh 7s 0.307821 0.020420 -0.239267 -0.631601 0.073371 0.635524 0Rh 8s -0.010201 -0.115842 -0.045502 0.030264 -0.111388 -0.147544 0Rh 1pz 0.003535 -0.011465 -0.001070 0.011205 -0.000483 0.000428 0Rh 1px 0.001155 -0.001863 -0.003375 0.004470 -0.001821 -0.000941 0Rh 1py -0.004155 0.001091 0.013269 0.001308 0.012981 0.001576 0Rh 2pz -0.013090 0.042062 0.003991 -0.041053 0.001234 -0.001892 0Rh 2px -0.003842 0.007443 0.012212 -0.017490 0.006853 0.004480 0Rh 2py 0.015285 -0.004161 -0.048954 -0.005068 -0.047539 -0.005578 0Rh 3pz 0.019796 -0.054574 -0.006262 0.053890 0.009451 0.009288 0Rh 3px -0.002895 -0.022294 -0.012775 0.045909 -0.012598 -0.026953 0Rh 3py -0.021749 0.008703 0.071812 0.011606 0.060482 0.002904 0Rh 4pz 0.013979 -0.088484 -0.005593 0.070075 -0.047614 -0.025692 0Rh 4px 0.038333 0.037554 -0.034954 -0.063511 0.002047 0.077056 0Rh 4py -0.017294 -0.004779 0.049653 -0.006519 0.099988 0.029814 0Rh 5pz -0.034397 0.222377 0.023059 -0.116695 0.083931 0.049045 0Rh 5px -0.062962 -0.065486 0.062363 0.108681 0.000216 -0.128886 0Rh 5py 0.022435 -0.000264 -0.069148 -0.009625 -0.222477 -0.060804 0Rh 6pz -0.083252 -0.550548 0.061117 -0.147726 0.061959 0.003701 0Rh 6px 0.013378 0.312178 0.007681 -0.155234 0.097062 0.148434 0Rh 6py 0.046117 0.156002 -0.162781 -0.244596 0.148555 0.008378 0Rh 1dz2 0.000797 -0.001878 0.005908 -0.015218 -0.009229 0.006078 0Rh 1dxz 0.003298 -0.013868 -0.004168 -0.000865 -0.002631 0.007064 0Rh 1dyz 0.012919 -0.006463 0.015013 0.006978 0.020413 0.002932 0Rh 1dx2y2 -0.008311 0.009421 0.006500 0.017458 0.008357 -0.008496 0Rh 1dxy 0.000761 0.000746 0.021878 0.002135 0.008066 0.000339 0Rh 2dz2 0.000620 0.002591 0.000216 -0.000098 -0.004554 -0.000312 0Rh 2dxz -0.000395 0.001282 0.000305 0.001463 0.001578 -0.000563 0Rh 2dyz 0.002884 0.002923 -0.000520 0.000619 -0.008633 0.000282 0Rh 2dx2y2 0.000467 -0.002057 -0.000541 -0.001029 -0.003037 0.001262 0Rh 2dxy 0.001050 0.000076 0.000626 -0.001050 -0.004143 0.000805 0Rh 3dz2 -0.005051 -0.006370 -0.018462 0.045401 0.048422 -0.016488 0Rh 3dxz -0.007747 0.035058 0.010873 -0.004260 0.000554 -0.018216 0Rh 3dyz -0.051436 0.005571 -0.041949 -0.023497 -0.020515 -0.009946 0Rh 3dx2y2 0.022233 -0.018390 -0.016686 -0.046606 -0.010821 0.019188 0Rh 3dxy -0.007193 -0.002612 -0.067477 -0.001468 -0.004681 -0.004779 0Rh 4dz2 0.008418 0.039891 0.005840 -0.008044 -0.078439 -0.003403 0Rh 4dxz -0.007281 0.015420 0.003473 0.022903 0.023830 -0.007591 0Rh 4dyz 0.054325 0.044526 -0.002300 0.012774 -0.131286 0.005063 0Rh 4dx2y2 0.004749 -0.027794 -0.005770 -0.011696 -0.043854 0.018335 0Rh 4dxy 0.019075 0.002461 0.017956 -0.015459 -0.065079 0.013423 0Rh 5dz2 -0.012480 -0.140138 0.046814 -0.122113 0.185947 0.086009 0Rh 5dxz 0.084059 -0.206185 -0.065981 -0.089851 -0.113682 0.109236 0Rh 5dyz -0.111625 -0.214521 0.187374 0.022431 0.658816 0.023132 0Rh 5dx2y2 -0.112444 0.175829 0.096750 0.235304 0.235448 -0.166206 0Rh 5dxy -0.078398 -0.014892 0.171657 0.077815 0.320822 -0.040613 0Rh 1f0 0.020988 -0.022472 -0.068231 0.057023 -0.034174 -0.014646 0Rh 1f+1 0.015708 0.006425 -0.022624 -0.025352 -0.000305 0.005340 0Rh 1f-1 0.016169 0.005666 -0.093752 -0.078739 -0.027149 -0.008670 0Rh 1f+2 0.043353 -0.003300 -0.053877 0.065236 -0.017640 0.019085 0Rh 1f-2 0.047654 0.018137 -0.102562 0.005124 -0.088964 -0.001785 0Rh 1f+3 -0.021823 0.014157 0.038031 -0.083951 0.049989 0.017550 0Rh 1f-3 0.014051 0.013633 -0.023379 -0.004351 0.010679 0.004405 1Rh 1s -0.000113 0.000911 -0.000070 0.001458 -0.000299 -0.000704 1Rh 2s 0.004033 -0.004579 -0.002473 -0.020152 0.004327 0.012234 1Rh 3s 0.001787 0.002611 -0.001921 -0.003625 0.000861 0.003271 1Rh 4s -0.021025 0.024020 0.012892 0.104941 -0.022463 -0.063731 1Rh 5s 0.053297 -0.038784 -0.036936 -0.235527 0.049661 0.148632 1Rh 6s -0.083959 0.001094 0.070971 0.266707 -0.048371 -0.188866 1Rh 7s 0.294869 -0.043843 -0.235098 -0.633993 -0.023958 0.652510 1Rh 8s -0.008718 0.110569 -0.047390 0.026450 0.103211 -0.174596 1Rh 1pz -0.002764 -0.011268 0.000844 -0.010877 0.000285 -0.001285 1Rh 1px -0.001166 -0.001792 0.003338 -0.004569 -0.001325 0.000568 1Rh 1py 0.005098 0.001569 -0.013751 -0.000417 0.012328 -0.001828 1Rh 2pz 0.010292 0.041336 -0.003135 0.039856 -0.001577 0.004988 1Rh 2px 0.003894 0.007194 -0.012078 0.017847 0.004931 -0.003199 1Rh 2py -0.018840 -0.005911 0.050737 0.001805 -0.045150 0.006527 1Rh 3pz -0.016778 -0.053487 0.004626 -0.052487 0.013066 -0.012428 1Rh 3px 0.002616 -0.022243 0.012642 -0.046240 -0.007926 0.027097 1Rh 3py 0.028265 0.011011 -0.074446 -0.007509 0.057372 -0.004700 1Rh 4pz -0.005587 -0.088114 0.005955 -0.067062 -0.042349 0.016146 1Rh 4px -0.037731 0.039076 0.034481 0.062194 -0.003310 -0.087100 1Rh 4py 0.017358 -0.001898 -0.052041 0.013717 0.096040 -0.029448 1Rh 5pz 0.015062 0.223053 -0.022406 0.110201 0.074546 -0.030374 1Rh 5px 0.062928 -0.067796 -0.061096 -0.105657 0.009075 0.148756 1Rh 5py -0.030318 -0.004948 0.075832 -0.006867 -0.216828 0.061093 1Rh 6pz 0.115104 -0.549652 -0.072614 0.162061 0.039026 -0.002030 1Rh 6px -0.042963 0.313499 -0.016199 0.148478 0.078001 -0.196212 1Rh 6py 0.024736 0.157871 0.146585 0.259691 0.141731 -0.000036 1Rh 1dz2 -0.000104 0.001568 0.005948 -0.015251 0.010711 0.005733 1Rh 1dxz 0.003161 0.012843 -0.003769 -0.000666 0.002566 0.004516 1Rh 1dyz 0.014119 0.006852 0.015624 0.005638 -0.020466 0.004108 1Rh 1dx2y2 -0.007313 -0.008593 0.006680 0.017871 -0.009439 -0.008195 1Rh 1dxy -0.000919 -0.001120 0.022567 0.001646 -0.007302 0.001283 1Rh 2dz2 0.000383 -0.002501 0.000093 0.000257 0.004570 -0.000548 1Rh 2dxz -0.000301 -0.001308 0.000387 0.001465 -0.001670 -0.000500 1Rh 2dyz 0.002671 -0.002767 -0.000850 0.001248 0.008574 -0.000373 1Rh 2dx2y2 0.000422 0.002055 -0.000645 -0.000915 0.003119 0.000801 1Rh 2dxy 0.000868 -0.000087 0.000490 -0.000796 0.004259 0.000403 1Rh 3dz2 -0.001312 0.006875 -0.018012 0.043860 -0.052880 -0.014372 1Rh 3dxz -0.007767 -0.031915 0.009317 -0.004861 0.000071 -0.010917 1Rh 3dyz -0.053981 -0.007445 -0.042226 -0.022450 0.020952 -0.010399 1Rh 3dx2y2 0.019506 0.015974 -0.016742 -0.048357 0.013623 0.020416 1Rh 3dxy -0.001400 0.003768 -0.068884 -0.001205 0.001880 -0.005728 1Rh 4dz2 0.004226 -0.038700 0.003857 -0.002305 0.079307 -0.007408 1Rh 4dxz -0.005857 -0.016224 0.004937 0.023090 -0.025416 -0.008086 1Rh 4dyz 0.051243 -0.041722 -0.007452 0.022495 0.130210 -0.005161 1Rh 4dx2y2 0.004414 0.027923 -0.007310 -0.009665 0.044934 0.011153 1Rh 4dxy 0.015566 -0.002730 0.016000 -0.011391 0.067188 0.007466 1Rh 5dz2 -0.005293 0.132763 0.054417 -0.143081 -0.173272 0.097500 1Rh 5dxz 0.076227 0.198339 -0.066489 -0.088790 0.118657 0.087461 1Rh 5dyz -0.088225 0.206147 0.212214 -0.025059 -0.653068 0.070470 1Rh 5dx2y2 -0.100833 -0.165940 0.103129 0.232569 -0.251423 -0.139945 1Rh 5dxy -0.086665 0.011618 0.186219 0.056944 -0.319390 -0.011372 1Rh 1f0 -0.017549 -0.024795 0.067947 -0.057500 -0.026951 0.013724 1Rh 1f+1 -0.015595 0.005657 0.022394 0.023884 -0.000977 -0.002180 1Rh 1f-1 -0.010317 0.000048 0.093404 0.075354 -0.027896 0.013474 1Rh 1f+2 -0.042512 -0.000554 0.054236 -0.063753 -0.011217 -0.028674 1Rh 1f-2 -0.039384 0.014527 0.104354 -0.010711 -0.083329 0.002459 1Rh 1f+3 0.016898 0.015909 -0.038629 0.084763 0.041846 -0.014585 1Rh 1f-3 -0.009916 0.013571 0.022063 0.004420 0.011179 -0.008286 2C 1s 0.007344 0.004713 0.006215 0.006001 -0.001577 -0.003523 2C 2s 0.024107 0.013086 0.025303 0.024170 -0.003573 -0.012131 2C 3s -0.266036 0.094296 -0.848187 -0.792998 -0.205757 0.309963 2C 4s 0.918457 -0.973962 4.202401 3.736765 1.367830 -1.368118 2C 5s 1.760569 0.986214 0.910402 0.593331 0.474173 -0.739003 2C 1pz -0.106924 0.031289 -0.292623 -0.280397 -0.085515 0.116047 2C 1px -0.029258 -0.057295 -0.007544 -0.013524 0.033922 0.031707 2C 1py -0.077966 -0.008780 -0.179352 -0.169064 -0.042293 0.088077 2C 2pz 1.338772 -0.315236 3.079149 2.919302 0.908265 -1.075143 2C 2px 0.433712 0.389464 0.438336 0.348296 -0.042067 -0.361008 2C 2py 0.807442 -0.194939 2.104481 1.736422 0.633342 -0.975485 2C 3pz 0.421343 0.160786 0.385110 0.231600 0.213895 -0.246988 2C 3px 0.097356 0.149671 0.037321 0.073982 -0.064267 -0.055222 2C 3py 0.172942 -0.100987 0.295865 0.258465 0.037386 0.090368 2C 1dz2 -0.080757 -0.068390 -0.015357 -0.038518 0.007454 0.037845 2C 1dxz -0.007262 0.065307 -0.093995 -0.062665 -0.039577 0.008716 2C 1dyz -0.071667 0.005503 -0.121392 -0.088189 -0.006504 0.023606 2C 1dx2y2 0.019542 -0.024776 0.026601 0.044473 0.022583 0.005871 2C 1dxy -0.029180 -0.005419 -0.030781 -0.038346 0.002488 -0.011862 2C 2dz2 0.350687 -0.098989 0.750936 0.702135 0.292621 -0.301101 2C 2dxz 0.134430 -0.042201 0.380700 0.262684 0.122224 -0.195505 2C 2dyz 0.506163 0.013668 1.021263 0.910301 0.234010 -0.451128 2C 2dx2y2 -0.097791 0.337490 -0.516043 -0.501362 -0.233087 -0.010595 2C 2dxy 0.126557 0.063938 0.102376 0.225898 -0.071741 0.046096 2C 1f0 -0.050728 -0.104707 0.094188 0.065599 0.012927 0.047812 2C 1f+1 -0.005927 0.018806 -0.005718 -0.017917 -0.000370 0.025997 2C 1f-1 -0.004334 -0.021546 0.051173 0.052103 0.026830 -0.030566 2C 1f+2 -0.039203 -0.027726 -0.037533 -0.044333 -0.040867 0.077249 2C 1f-2 -0.021707 -0.015443 -0.024420 -0.002283 0.012244 0.005820 2C 1f+3 0.004938 0.005686 -0.032401 -0.017524 -0.002453 -0.001160 2C 1f-3 0.004866 -0.012922 0.031179 0.019449 0.002812 0.008911 3C 1s -0.015337 -0.000725 -0.001715 0.002525 0.007432 -0.005601 3C 2s -0.054192 -0.003041 -0.008286 0.013044 0.023961 -0.018757 3C 3s 0.885946 0.171222 0.468569 -0.615048 -0.271174 0.461375 3C 4s -3.495689 -1.022793 -2.594276 3.008794 0.722640 -2.087544 3C 5s -2.097645 -0.946847 -0.841303 -0.391181 0.557396 -1.627536 3C 1pz 0.197132 0.048060 0.116990 -0.122832 -0.038382 0.108421 3C 1px 0.158895 0.014009 -0.006004 -0.032507 -0.129491 0.077812 3C 1py -0.321430 -0.072181 -0.151233 0.211096 0.101175 -0.172068 3C 2pz -1.558908 -0.721500 -1.232155 1.339240 0.063839 -1.152584 3C 2px -1.780912 -0.277153 -0.176499 0.578264 0.957075 -0.859259 3C 2py 3.872814 0.906662 1.723670 -2.073576 -0.909104 1.695622 3C 3pz -0.316245 -0.098045 -0.200226 0.161150 -0.150069 -0.038524 3C 3px -0.147785 -0.080039 -0.172810 0.055554 0.039443 -0.087673 3C 3py 0.518109 0.227398 0.310976 0.015035 -0.128894 0.435866 3C 1dz2 -0.113340 0.042278 0.015121 -0.009136 0.073376 0.001139 3C 1dxz 0.031532 0.023505 0.057096 -0.042120 0.043640 0.003334 3C 1dyz -0.216982 -0.005713 0.005382 0.040597 0.075319 -0.024146 3C 1dx2y2 -0.115988 -0.010848 -0.005121 0.001080 0.046537 -0.056187 3C 1dxy -0.059613 -0.074555 -0.106628 0.124964 -0.087543 -0.015210 3C 2dz2 0.399119 -0.005940 0.003035 -0.078461 -0.253523 0.073894 3C 2dxz -0.306710 -0.216694 -0.501734 0.441205 -0.224924 -0.105832 3C 2dyz 1.429687 0.198342 0.348772 -0.610955 -0.404438 0.470141 3C 2dx2y2 0.655407 0.333431 0.559617 -0.526133 0.056311 0.494359 3C 2dxy 0.717410 0.244033 0.238282 -0.348528 -0.302366 0.443509 3C 1f0 -0.036310 0.030501 0.020766 -0.033729 0.047695 0.015761 3C 1f+1 -0.025331 0.003582 -0.043929 0.020419 -0.018391 -0.001070 3C 1f-1 0.092458 0.012404 -0.012460 0.044057 -0.100344 0.072682 3C 1f+2 0.015271 0.043337 0.050995 -0.070594 -0.004593 0.052635 3C 1f-2 0.037628 0.011639 -0.000831 0.021611 -0.046184 0.063308 3C 1f+3 -0.019079 0.029226 0.029041 -0.026466 0.018000 0.006594 3C 1f-3 -0.023198 0.028534 0.080965 -0.084325 0.061834 -0.020831 4C 1s -0.005371 -0.004594 -0.009497 -0.006446 0.001286 0.001567 4C 2s -0.017328 -0.013617 -0.036507 -0.028518 0.002141 0.009745 4C 3s 0.437844 0.188633 0.952000 0.940799 0.149074 -0.394872 4C 4s -1.993116 -0.508788 -4.280260 -4.228670 -0.928558 1.713371 4C 5s -0.653661 -0.744248 -0.107758 -0.470995 -0.074500 0.552711 4C 1pz -0.039646 0.108453 -0.237681 -0.190778 -0.105479 0.059939 4C 1px -0.020500 0.030656 -0.015331 -0.033505 0.029202 -0.003129 4C 1py -0.041293 0.056554 -0.135847 -0.128922 -0.058376 0.045161 4C 2pz 0.874690 -0.622708 2.860968 2.465438 0.945167 -1.025899 4C 2px 0.248414 -0.343060 0.510781 0.536340 0.149786 -0.114102 4C 2py 0.636921 -0.436353 1.842648 1.658277 0.635625 -0.700135 4C 3pz 0.740535 0.076989 0.847543 0.310739 0.098250 0.358239 4C 3px -0.028235 -0.528920 0.585180 0.135427 0.230120 0.275040 4C 3py 0.749477 0.350483 0.688811 0.059421 0.426560 -0.485836 4C 1dz2 0.018424 0.012382 -0.028898 0.014451 0.010827 -0.029438 4C 1dxz 0.026380 0.070152 -0.001255 0.000962 -0.038317 -0.067387 4C 1dyz -0.021444 -0.010797 0.031656 0.006103 0.054262 -0.018179 4C 1dx2y2 0.048989 0.047583 -0.047905 -0.037353 0.032236 -0.034648 4C 1dxy -0.020774 -0.085915 0.043946 0.067704 -0.001849 0.029448 4C 2dz2 -0.342803 0.070423 -0.704916 -0.582968 -0.225764 0.355313 4C 2dxz -0.115511 0.354016 -0.773260 -0.499142 -0.397360 0.203991 4C 2dyz -0.445297 0.047187 -1.104364 -0.970921 -0.390876 0.470300 4C 2dx2y2 0.135836 -0.349383 0.644769 0.434367 0.235670 0.017464 4C 2dxy 0.040513 0.339394 -0.401872 -0.504937 -0.171802 -0.023208 4C 1f0 -0.033544 -0.085953 0.077458 0.052763 0.021516 0.036551 4C 1f+1 0.056041 0.052720 -0.013098 0.041638 0.038018 -0.090999 4C 1f-1 0.043743 -0.003933 0.052646 0.067580 -0.006950 -0.000072 4C 1f+2 -0.072216 -0.076601 -0.026557 -0.043427 -0.044685 0.104620 4C 1f-2 -0.040842 -0.026415 -0.014344 -0.020394 -0.064996 0.098000 4C 1f+3 0.050242 0.065141 0.024744 -0.004376 0.053931 -0.090085 4C 1f-3 -0.049459 -0.110339 0.071851 0.085098 0.008791 0.056261 5C 1s 0.012380 -0.001512 0.004256 -0.004943 -0.007664 0.002259 5C 2s 0.045709 -0.003381 0.015810 -0.022380 -0.027975 0.013183 5C 3s -1.281614 -0.118335 -0.408076 0.705682 0.560620 -0.539252 5C 4s 5.725835 0.863599 1.951912 -3.088954 -2.038882 2.410716 5C 5s 0.808374 0.211114 0.093804 0.030732 -0.400346 0.857334 5C 1pz 0.120373 0.045186 0.081628 -0.097590 0.003506 0.061514 5C 1px 0.071226 0.055272 0.040262 -0.025931 -0.023764 0.039045 5C 1py -0.186163 -0.085199 -0.149305 0.166687 -0.032656 -0.089217 5C 2pz -1.675869 -0.485420 -0.933582 1.120955 0.336110 -0.912726 5C 2px -1.051310 -0.618404 -0.696303 0.727991 0.124672 -0.656276 5C 2py 2.837281 0.915744 1.676341 -1.962093 -0.435115 1.510105 5C 3pz -0.410624 -0.439474 -0.561421 -0.473975 0.377387 -0.884218 5C 3px -0.119519 -0.408931 -0.749602 0.297600 -0.463058 -0.180779 5C 3py 0.753803 0.164136 1.021054 0.166431 0.203024 0.158839 5C 1dz2 0.027351 0.050524 0.034225 -0.013809 0.006635 0.027431 5C 1dxz 0.059666 -0.052130 -0.096914 0.101604 -0.088824 0.027222 5C 1dyz -0.091871 0.028438 0.055554 -0.017047 0.089520 0.009644 5C 1dx2y2 0.044481 -0.022456 -0.039399 0.026205 -0.086512 0.057701 5C 1dxy 0.026680 -0.017453 -0.039759 0.033928 -0.096373 0.055959 5C 2dz2 -0.148934 -0.084629 -0.215865 0.330748 -0.116057 -0.131761 5C 2dxz 0.189714 0.315086 0.821166 -0.610855 0.516604 0.077659 5C 2dyz -1.156666 -0.278411 -0.350130 0.551993 0.468840 -0.580075 5C 2dx2y2 -0.901254 -0.344920 -0.492310 0.335506 0.314121 -0.612758 5C 2dxy -0.596204 -0.236426 -0.646924 0.553679 -0.150807 -0.395866 5C 1f0 0.021735 0.040408 0.018744 -0.035185 0.017850 0.018737 5C 1f+1 -0.028448 0.060576 -0.036283 0.097834 -0.083351 0.062577 5C 1f-1 0.047925 0.071481 0.025157 0.040161 -0.079189 0.122132 5C 1f+2 0.073919 -0.064217 0.028990 -0.069602 0.070520 -0.092599 5C 1f-2 0.118107 0.013266 -0.050876 0.010171 -0.106956 0.079953 5C 1f+3 -0.099195 -0.013671 0.007824 0.000322 0.022825 -0.042185 5C 1f-3 0.018586 0.122757 0.063227 -0.098571 0.024067 0.102017 6C 1s 0.011558 0.001424 0.004170 -0.004603 0.007999 0.003059 6C 2s 0.042221 0.002989 0.015558 -0.021245 0.029676 0.016454 6C 3s -1.184351 0.124752 -0.404763 0.684163 -0.621536 -0.619492 6C 4s 5.300165 -0.888451 1.942822 -3.020830 2.315664 2.755125 6C 5s 0.907536 -0.159470 0.057925 0.073952 0.430766 0.817473 6C 1pz -0.105018 0.046215 -0.083450 0.100258 -0.006164 -0.072872 6C 1px -0.062552 0.056729 -0.040615 0.025357 -0.026856 -0.042389 6C 1py 0.161594 -0.088200 0.153318 -0.172612 -0.015852 0.109373 6C 2pz 1.496581 -0.491285 0.944270 -1.126626 0.452303 1.033318 6C 2px 0.965991 -0.631764 0.701621 -0.732815 0.201841 0.750642 6C 2py -2.538561 0.931962 -1.698752 1.978425 -0.637974 -1.726897 6C 3pz 0.474450 -0.385381 0.531129 0.516630 0.402496 0.808665 6C 3px 0.167732 -0.389909 0.755600 -0.307030 -0.418322 0.206916 6C 3py -0.762879 0.126379 -1.026706 -0.176794 0.191129 -0.096222 6C 1dz2 0.022887 -0.050853 0.034577 -0.012264 -0.004559 0.033846 6C 1dxz 0.055818 0.054895 -0.099858 0.102993 0.078354 0.015842 6C 1dyz -0.083934 -0.028245 0.058454 -0.021166 -0.085108 0.008884 6C 1dx2y2 0.039769 0.021856 -0.042274 0.028355 0.084142 0.058195 6C 1dxy 0.021322 0.019921 -0.042336 0.037209 0.095474 0.050942 6C 2dz2 -0.131592 0.090528 -0.221853 0.333111 0.082216 -0.175232 6C 2dxz 0.163481 -0.325547 0.841142 -0.638944 -0.447987 0.164051 6C 2dyz -1.060540 0.280070 -0.345217 0.538769 -0.520878 -0.631471 6C 2dx2y2 -0.809295 0.342072 -0.490542 0.332407 -0.360264 -0.650001 6C 2dxy -0.525638 0.236657 -0.664417 0.571099 0.085111 -0.470835 6C 1f0 -0.032750 0.038204 -0.016535 0.035321 0.014275 -0.021514 6C 1f+1 0.008615 0.056579 0.042673 -0.103789 -0.078994 -0.053247 6C 1f-1 -0.052452 0.066640 -0.020158 -0.046542 -0.083955 -0.121397 6C 1f+2 -0.058697 -0.059116 -0.034518 0.073442 0.069828 0.086947 6C 1f-2 -0.114680 0.009971 0.055396 -0.015585 -0.106075 -0.071329 6C 1f+3 0.092691 -0.013283 -0.007048 0.001341 0.023153 0.040043 6C 1f-3 -0.030351 0.120525 -0.061508 0.097624 0.011176 -0.110633 7C 1s -0.005809 0.004156 -0.009533 -0.006929 -0.001012 0.002425 7C 2s -0.018573 0.011954 -0.036851 -0.030168 -0.000792 0.013019 7C 3s 0.451294 -0.139557 0.972366 0.964892 -0.197941 -0.465238 7C 4s -2.003081 0.293775 -4.386933 -4.306097 1.139403 1.984339 7C 5s -0.713923 0.701326 -0.090647 -0.478311 0.119469 0.539382 7C 1pz 0.026541 0.111721 0.247476 0.186878 -0.111577 -0.065364 7C 1px 0.016280 0.032353 0.015077 0.034152 0.027755 -0.000681 7C 1py 0.032463 0.060034 0.142571 0.127857 -0.064485 -0.051341 7C 2pz -0.753152 -0.701890 -2.959172 -2.457555 1.050582 1.133176 7C 2px -0.217401 -0.358186 -0.522172 -0.521552 0.166252 0.150087 7C 2py -0.557327 -0.492387 -1.919029 -1.659949 0.714494 0.785288 7C 3pz -0.791972 0.038245 -0.844083 -0.293337 0.084973 -0.391128 7C 3px 0.011756 -0.511777 -0.590475 -0.102788 0.199260 -0.282795 7C 3py -0.735485 0.348248 -0.700528 -0.018961 0.445688 0.470480 7C 1dz2 0.013563 -0.011678 -0.028805 0.013962 -0.014980 -0.027123 7C 1dxz 0.021078 -0.065509 -0.000368 0.008251 0.032455 -0.072345 7C 1dyz -0.018118 0.010539 0.033681 0.004058 -0.053784 -0.015748 7C 1dx2y2 0.047180 -0.044130 -0.045154 -0.037357 -0.036633 -0.031043 7C 1dxy -0.019434 0.080347 0.041707 0.063485 0.002830 0.026728 7C 2dz2 -0.306328 -0.097250 -0.721805 -0.582825 0.254101 0.384362 7C 2dxz -0.093330 -0.345433 -0.802597 -0.472601 0.415249 0.208993 7C 2dyz -0.414531 -0.096258 -1.148961 -0.981209 0.441147 0.520680 7C 2dx2y2 0.107770 0.347720 0.666858 0.421624 -0.238969 0.010263 7C 2dxy 0.028797 -0.322759 -0.406336 -0.480916 0.181488 -0.012399 7C 1f0 0.030583 -0.082049 -0.077179 -0.048249 0.018567 -0.036626 7C 1f+1 -0.047448 0.049326 0.009727 -0.039428 0.046437 0.092143 7C 1f-1 -0.043855 -0.007732 -0.053694 -0.067786 -0.004628 0.000751 7C 1f+2 0.065404 -0.072943 0.027984 0.041502 -0.052128 -0.106250 7C 1f-2 0.030376 -0.033212 0.016722 0.013303 -0.071718 -0.101632 7C 1f+3 -0.039727 0.067657 -0.025809 0.010391 0.057379 0.087494 7C 1f-3 0.038201 -0.112823 -0.073413 -0.086096 0.007404 -0.053002 8C 1s -0.014475 0.000610 -0.001493 0.002133 -0.007780 -0.005511 8C 2s -0.050761 0.002824 -0.007693 0.011880 -0.025421 -0.019127 8C 3s 0.794737 -0.178817 0.473960 -0.610909 0.331526 0.531002 8C 4s -3.079637 1.067318 -2.641640 3.026493 -1.022629 -2.465146 8C 5s -2.199161 0.825738 -0.779039 -0.468037 -0.604183 -1.470194 8C 1pz -0.177015 0.048318 -0.118023 0.122262 -0.052466 -0.122156 8C 1px -0.145870 0.012864 0.009181 0.026830 -0.132224 -0.078928 8C 1py 0.294155 -0.073244 0.151976 -0.209014 0.121504 0.195021 8C 2pz 1.445762 -0.725189 1.246048 -1.346174 0.218645 1.290162 8C 2px 1.633398 -0.267079 0.160383 -0.546710 1.011169 0.888964 8C 2py -3.532517 0.917057 -1.730427 2.059912 -1.112754 -1.920613 8C 3pz 0.305133 -0.093522 0.207552 -0.167648 -0.140702 0.042019 8C 3px 0.147669 -0.075343 0.170145 -0.046180 0.052893 0.083764 8C 3py -0.529493 0.203492 -0.299743 -0.030031 -0.150863 -0.417702 8C 1dz2 -0.100075 -0.042519 0.017103 -0.011484 -0.071259 -0.001704 8C 1dxz 0.032240 -0.023926 0.057709 -0.044013 -0.038407 0.007344 8C 1dyz -0.202791 0.005563 0.006872 0.038324 -0.075304 -0.025386 8C 1dx2y2 -0.109571 0.008991 -0.003922 -0.001100 -0.048002 -0.050849 8C 1dxy -0.060363 0.075139 -0.109259 0.127264 0.075278 -0.029988 8C 2dz2 0.369569 0.006054 -0.008226 -0.066542 0.260081 0.087245 8C 2dxz -0.285700 0.224323 -0.508024 0.452153 0.177161 -0.161025 8C 2dyz 1.301806 -0.201536 0.347486 -0.602856 0.454622 0.530514 8C 2dx2y2 0.613889 -0.332278 0.569225 -0.534943 0.007029 0.547146 8C 2dxy 0.664224 -0.241108 0.236089 -0.336896 0.339105 0.467560 8C 1f0 0.031319 0.031280 -0.021856 0.034920 0.043200 -0.017925 8C 1f+1 0.018462 0.003111 0.044950 -0.021218 -0.015964 0.006335 8C 1f-1 -0.083222 0.009766 0.016578 -0.049848 -0.100207 -0.070433 8C 1f+2 -0.009154 0.043333 -0.051716 0.070637 -0.012635 -0.060301 8C 1f-2 -0.033716 0.011072 0.001855 -0.022644 -0.046090 -0.063810 8C 1f+3 0.017243 0.029347 -0.029167 0.025698 0.013860 -0.010204 8C 1f-3 0.020655 0.030403 -0.083459 0.087424 0.053724 0.011543 9C 1s 0.007191 -0.004065 0.006248 0.006385 0.001197 -0.003950 9C 2s 0.023560 -0.010925 0.025591 0.025409 0.002179 -0.013867 9C 3s -0.256530 -0.122210 -0.872465 -0.800880 0.243302 0.361563 9C 4s 0.857766 1.067829 4.337745 3.738083 -1.531397 -1.591470 9C 5s 1.745716 -0.880951 0.917144 0.556855 -0.520252 -0.662775 9C 1pz 0.102179 0.041538 0.301285 0.280778 -0.099183 -0.131510 9C 1px 0.028271 -0.051935 0.006686 0.019020 0.031636 -0.037453 9C 1py 0.074396 -0.000383 0.185349 0.172570 -0.051102 -0.100302 9C 2pz -1.244184 -0.436843 -3.170481 -2.921112 1.040071 1.206650 9C 2px -0.395146 0.322625 -0.451261 -0.391149 -0.012768 0.399511 9C 2py -0.755776 -0.259066 -2.181220 -1.749564 0.719461 1.073527 9C 3pz -0.415132 0.138922 -0.394838 -0.218730 0.232482 0.240402 9C 3px -0.103014 0.149819 -0.029444 -0.079535 -0.056180 0.064258 9C 3py -0.185841 -0.111716 -0.297868 -0.252948 0.036832 -0.094390 9C 1dz2 -0.076872 0.058880 -0.017079 -0.042754 -0.001828 0.038625 9C 1dxz -0.007589 -0.060434 -0.094095 -0.056956 0.039485 0.010830 9C 1dyz -0.066771 -0.010424 -0.124426 -0.088660 0.008879 0.028932 9C 1dx2y2 0.017359 0.024713 0.027868 0.041986 -0.023276 0.009185 9C 1dxy -0.030102 0.002911 -0.031817 -0.039545 -0.000518 -0.008485 9C 2dz2 0.322978 0.124222 0.773192 0.691980 -0.325490 -0.323429 9C 2dxz 0.124043 0.044654 0.386995 0.257736 -0.134382 -0.211154 9C 2dyz 0.468091 0.041643 1.060273 0.926872 -0.282290 -0.502903 9C 2dx2y2 -0.093988 -0.331723 -0.529937 -0.483538 0.240991 -0.006842 9C 2dxy 0.121078 -0.052179 0.096204 0.232685 0.065809 0.029310 9C 1f0 0.045987 -0.098889 -0.094081 -0.061696 0.008840 -0.046146 9C 1f+1 0.004179 0.016776 0.004617 0.016914 -0.001755 -0.028623 9C 1f-1 0.006967 -0.023231 -0.053472 -0.051819 0.028856 0.031397 9C 1f+2 0.032488 -0.025772 0.040588 0.044586 -0.048087 -0.080690 9C 1f-2 0.020105 -0.016388 0.024177 0.003896 0.010571 -0.009620 9C 1f+3 -0.004053 0.007851 0.033873 0.019671 -0.002618 -0.001409 9C 1f-3 -0.006212 -0.012510 -0.030684 -0.019319 0.002478 -0.008165 10H 1s 0.034396 -0.091623 0.158861 0.125618 0.106184 -0.021292 10H 2s 0.117312 -0.117897 0.129442 0.184024 0.002645 0.071341 10H 3s -0.141355 -0.156636 0.025962 -0.029822 0.044033 0.079559 10H 1pz -0.042798 -0.068088 -0.087558 -0.045924 0.003964 0.092956 10H 1px -0.140290 -0.073745 -0.097952 -0.108054 0.026972 0.054068 10H 1py -0.036689 -0.026473 -0.070373 -0.067133 0.014796 0.032293 11H 1s 0.029186 0.013286 0.021022 0.058332 -0.007329 -0.038202 11H 2s 0.351817 0.305895 0.029356 0.117636 -0.179394 0.124145 11H 3s -0.178992 -0.106623 -0.021589 -0.055759 -0.014181 0.031451 11H 1pz 0.057126 0.074777 -0.101643 -0.061335 -0.052153 0.050636 11H 1px 0.131904 0.176022 -0.062158 -0.014559 -0.077488 -0.023379 11H 1py -0.126548 0.042841 -0.234236 -0.208943 -0.058061 0.037952 12H 1s 0.053075 0.071960 0.027689 0.018969 -0.004169 -0.069882 12H 2s 0.193152 0.144619 0.189035 -0.059032 -0.006342 -0.250166 12H 3s -0.209386 -0.223410 0.024040 0.042162 -0.075868 0.229855 12H 1pz -0.159838 -0.032193 -0.178540 -0.188017 -0.075662 0.114929 12H 1px 0.030330 0.091850 -0.052323 -0.063173 -0.063234 -0.026630 12H 1py 0.069492 0.038322 0.063811 -0.033658 0.007016 -0.073966 13H 1s -0.048587 -0.069714 -0.159472 0.105472 -0.091032 -0.053507 13H 2s 0.056996 -0.183764 -0.292116 0.140596 -0.343907 -0.009813 13H 3s 0.119828 0.137930 0.033094 0.038996 -0.068854 0.168364 13H 1pz 0.033628 -0.031167 -0.044309 -0.037381 -0.085785 -0.006945 13H 1px 0.234926 0.074434 0.054685 -0.073808 -0.091774 0.091904 13H 1py -0.263069 -0.016805 0.017576 0.040736 0.209007 -0.112853 14H 1s -0.135138 -0.031534 0.026034 -0.020713 0.114914 -0.084471 14H 2s -0.298434 -0.078294 0.112325 0.028005 0.155899 -0.237436 14H 3s 0.246925 0.060918 -0.099716 0.143961 -0.195544 0.264099 14H 1pz 0.005544 -0.056115 -0.026332 0.019958 -0.042675 -0.041037 14H 1px -0.141568 -0.017160 0.095454 -0.026560 0.105064 -0.077585 14H 1py -0.332096 -0.059651 -0.101129 0.100243 0.079065 -0.142348 15H 1s -0.089755 -0.022104 0.024682 0.046613 0.068138 -0.051107 15H 2s -1.068439 0.174405 0.135556 -0.072866 0.451769 0.141659 15H 3s 0.383000 0.072325 -0.029968 0.019691 -0.107333 0.098134 15H 1pz 0.460586 0.045056 0.055479 -0.098715 -0.119014 0.088363 15H 1px -0.058507 0.079799 0.166341 -0.169263 0.161909 0.015708 15H 1py 0.191184 -0.049471 -0.086359 0.107786 -0.112857 -0.056287 16H 1s -0.005065 0.018112 -0.008660 -0.024714 -0.018244 0.010537 16H 2s -0.051779 0.096916 0.122086 0.472217 0.257828 -0.259111 16H 3s -0.021508 0.038662 0.037842 0.034738 0.056181 0.007454 16H 1pz -0.033597 0.063741 0.063769 0.224352 0.115237 -0.119274 16H 1px 0.003423 -0.026701 -0.012212 -0.020429 -0.030791 0.004258 16H 1py 0.005471 -0.017285 0.005965 0.052284 0.028662 -0.030057 17H 1s 0.002804 0.000649 -0.003795 -0.028391 -0.022566 0.007661 17H 2s -0.143116 0.321294 0.194768 0.381350 0.278212 -0.205310 17H 3s -0.003523 -0.012040 0.026977 -0.000107 -0.042328 0.011270 17H 1pz 0.046064 -0.107132 -0.059597 -0.117057 -0.058801 0.080265 17H 1px 0.055307 -0.132841 -0.075047 -0.122595 -0.102940 0.063887 17H 1py -0.025708 0.053946 0.036975 0.060542 0.057444 -0.032196 18H 1s 0.004428 -0.001580 -0.004091 -0.027878 0.024045 0.007628 18H 2s -0.146112 -0.300831 0.197446 0.380719 -0.300618 -0.175215 18H 3s -0.002486 0.017264 0.024165 0.004187 0.042244 0.011254 18H 1pz -0.046354 -0.103002 0.060958 0.119395 -0.067558 -0.071944 18H 1px -0.052646 -0.123950 0.075287 0.123591 -0.110463 -0.052030 18H 1py 0.027429 0.046933 -0.035978 -0.054929 0.059635 0.025384 19H 1s -0.001731 -0.018906 -0.009105 -0.023380 0.019067 0.008238 19H 2s -0.080699 -0.076736 0.133031 0.468097 -0.288907 -0.223372 19H 3s -0.018627 -0.036737 0.038863 0.033569 -0.055926 0.012846 19H 1pz 0.045576 0.053548 -0.068516 -0.222382 0.128239 0.102417 19H 1px -0.004280 -0.024664 0.013052 0.021680 -0.032630 -0.000105 19H 1py 0.005037 -0.018325 -0.009985 -0.055620 0.036764 0.030509 20H 1s -0.085908 0.022318 0.026542 0.044238 -0.070237 -0.055488 20H 2s -0.968533 -0.174671 0.148705 -0.089723 -0.425574 0.153444 20H 3s 0.371724 -0.061496 -0.037187 0.027052 0.103256 0.081447 20H 1pz -0.423696 0.043897 -0.053682 0.095465 -0.125661 -0.092094 20H 1px 0.056200 0.082913 -0.172028 0.177118 0.145726 -0.035531 20H 1py -0.173559 -0.051170 0.091716 -0.113278 -0.098938 0.067803 21H 1s -0.124395 0.027812 0.029712 -0.026462 -0.114915 -0.079907 21H 2s -0.307765 0.067232 0.117584 0.019563 -0.162732 -0.204479 21H 3s 0.262580 -0.044226 -0.112549 0.155221 0.192737 0.231644 21H 1pz 0.003602 -0.053492 0.026167 -0.020689 -0.036876 0.035452 21H 1px 0.145317 -0.011436 -0.100921 0.032975 0.102583 0.060278 21H 1py 0.308014 -0.059050 0.099377 -0.098996 0.091822 0.155444 22H 1s -0.044682 0.070259 -0.162822 0.111073 0.077317 -0.068056 22H 2s 0.012818 0.185828 -0.295365 0.147158 0.319524 -0.021401 22H 3s 0.146227 -0.125692 0.021871 0.052342 0.076376 0.151506 22H 1pz -0.021134 -0.028667 0.043997 0.036957 -0.083805 -0.000008 22H 1px -0.231296 0.073018 -0.049631 0.067293 -0.100855 -0.095305 22H 1py 0.230463 -0.013986 -0.022221 -0.032051 0.212553 0.114325 23H 1s 0.046825 -0.064143 0.029444 0.024110 0.000289 -0.075716 23H 2s 0.181351 -0.134892 0.195691 -0.051090 0.003143 -0.250430 23H 3s -0.194338 0.206271 0.017912 0.042223 0.086574 0.215713 23H 1pz 0.148068 -0.019973 0.187354 0.188983 -0.088421 -0.121765 23H 1px -0.027823 0.086077 0.056692 0.057498 -0.064479 0.023639 23H 1py -0.063848 0.036465 -0.064365 0.033962 0.005242 0.071055 24H 1s 0.025892 -0.008630 0.022505 0.060592 0.002916 -0.040939 24H 2s 0.330204 -0.256222 0.028713 0.146126 0.171691 0.119551 24H 3s -0.165683 0.086264 -0.022540 -0.055329 0.016351 0.019629 24H 1pz -0.051447 0.067265 0.104175 0.056603 -0.052508 -0.055864 24H 1px -0.123858 0.156993 0.060576 0.000129 -0.072725 0.023337 24H 1py 0.115387 0.056267 0.241519 0.208110 -0.065087 -0.043071 25H 1s 0.030751 0.089715 0.164740 0.117376 -0.109163 -0.020880 25H 2s 0.119106 0.105911 0.122865 0.166850 -0.001070 0.078374 25H 3s -0.139167 0.151085 0.033825 -0.029588 -0.040563 0.074445 25H 1pz 0.035052 -0.057311 0.090782 0.055191 -0.001962 -0.105822 25H 1px 0.133549 -0.066013 0.096538 0.111010 0.021995 -0.058928 25H 1py 0.033997 -0.021456 0.073202 0.073999 0.010775 -0.040668 26O 1s 0.001097 -0.007900 0.003859 0.002568 0.001074 -0.000256 26O 2s 0.003779 -0.027647 0.013961 0.010254 0.004498 -0.000306 26O 3s -0.026220 0.201898 -0.115984 -0.107388 -0.056793 0.001910 26O 4s -0.017399 -0.483612 0.237463 0.249865 0.274412 0.080950 26O 5s -0.165668 1.239639 -0.856499 -0.068088 -0.806723 -0.407738 26O 1pz 0.021365 -0.076643 0.142431 0.098543 0.182779 -0.063434 26O 1px 0.037090 0.111849 -0.036556 -0.045199 0.022860 -0.079077 26O 1py -0.122739 -0.128494 -0.046011 -0.030887 -0.104710 0.198602 26O 2pz -0.008833 0.061360 -0.133295 -0.102260 -0.215530 0.095502 26O 2px -0.011945 -0.156150 0.038237 -0.037905 -0.066335 0.149996 26O 2py 0.187632 0.097778 0.111747 0.069061 0.159751 -0.253335 26O 3pz -0.010585 -0.027514 0.188956 0.172237 0.087656 -0.382253 26O 3px 0.043809 -0.264209 0.064372 -0.007111 0.157075 -0.212216 26O 3py -0.278439 -0.509902 0.147844 0.153800 -0.173249 0.368340 26O 1dz2 -0.002261 0.000241 -0.002594 -0.001815 -0.001013 -0.005972 26O 1dxz -0.001738 0.000501 -0.001950 -0.001435 -0.000464 -0.002433 26O 1dyz -0.002421 0.002020 -0.004020 -0.002948 -0.003121 0.000597 26O 1dx2y2 0.004123 -0.002074 0.003314 0.003337 0.001090 -0.003793 26O 1dxy -0.000367 -0.001400 -0.002703 -0.001044 -0.003792 -0.000449 26O 2dz2 -0.016722 -0.021369 0.013917 0.045740 -0.050188 -0.037283 26O 2dxz -0.050819 0.080398 -0.165794 -0.067686 -0.146827 0.048107 26O 2dyz 0.002734 0.121009 -0.055890 0.007265 -0.121406 -0.048887 26O 2dx2y2 -0.009033 -0.120370 0.060216 0.079450 0.017229 0.085476 26O 2dxy 0.017279 0.134651 -0.080281 -0.058868 -0.058774 -0.094444 26O 1f0 -0.004493 -0.009536 0.003397 0.001118 -0.000886 0.011135 26O 1f+1 -0.001484 -0.005992 0.013118 0.012269 0.001648 0.000673 26O 1f-1 0.000420 -0.000785 0.004057 0.001814 0.005143 0.001515 26O 1f+2 -0.003645 0.003684 -0.003875 -0.006304 -0.000744 -0.000349 26O 1f-2 0.003061 0.004165 0.004190 0.002508 0.002395 -0.008222 26O 1f+3 -0.009294 -0.011977 0.005933 0.007908 -0.004252 0.009257 26O 1f-3 0.010579 0.012783 -0.002025 0.002977 0.003651 -0.014155 27O 1s 0.001470 -0.002604 -0.004638 0.004598 -0.008202 -0.000943 27O 2s 0.005998 -0.008779 -0.017959 0.017131 -0.030535 -0.002910 27O 3s -0.043668 0.061180 0.155516 -0.152064 0.257603 0.019180 27O 4s 0.297895 -0.093832 -0.456423 0.350823 -0.862240 0.093268 27O 5s -0.541464 0.637684 1.483188 -0.159445 1.656223 -0.049990 27O 1pz -0.005502 0.271388 0.002759 -0.026803 -0.126398 0.228467 27O 1px -0.050501 0.071888 0.104485 -0.075183 0.062099 0.050313 27O 1py -0.208882 0.259694 0.244127 -0.130470 0.174560 0.103917 27O 2pz 0.063678 -0.440942 -0.128695 0.096848 0.070687 -0.335213 27O 2px 0.089750 -0.164860 -0.201892 -0.009147 -0.037021 -0.088222 27O 2py 0.283306 -0.332048 -0.266756 0.195289 -0.215656 -0.125573 27O 3pz -0.136501 0.339605 0.068851 0.350231 -0.152249 0.484051 27O 3px -0.004612 -0.288672 -0.084237 0.244967 -0.229915 -0.052021 27O 3py -0.040741 0.483902 0.102286 -0.378576 -0.108775 0.362230 27O 1dz2 -0.002489 0.007546 0.002718 0.001186 -0.002236 0.006092 27O 1dxz -0.001046 0.008282 0.007101 -0.001714 0.003157 0.003425 27O 1dyz 0.004031 -0.002379 -0.009203 0.001934 -0.007279 -0.002515 27O 1dx2y2 -0.005813 -0.000621 -0.002215 -0.003343 0.000721 0.003812 27O 1dxy -0.004093 0.002146 -0.003144 -0.000970 -0.003389 0.000575 27O 2dz2 0.015250 0.003995 -0.006079 -0.000601 -0.056522 0.034399 27O 2dxz -0.017895 0.027719 0.199914 -0.094808 0.224262 -0.101990 27O 2dyz 0.121984 0.030372 -0.097873 -0.027753 -0.210939 0.084154 27O 2dx2y2 0.018062 -0.009527 -0.014614 -0.061608 -0.042021 0.016048 27O 2dxy 0.027724 -0.113643 -0.200557 0.058199 -0.193427 -0.054096 27O 1f0 -0.014602 -0.003162 0.010437 -0.007133 0.019846 -0.009673 27O 1f+1 -0.006952 -0.007612 0.004911 -0.003688 0.012021 -0.012110 27O 1f-1 -0.001599 0.002435 0.002880 0.001447 0.001126 0.001932 27O 1f+2 -0.000760 -0.000187 -0.002063 0.008472 -0.005146 0.005597 27O 1f-2 0.000853 0.006538 0.011506 -0.004050 0.002208 0.005202 27O 1f+3 -0.007038 0.002296 -0.004955 0.007918 0.002200 -0.006601 27O 1f-3 0.003085 -0.003531 0.006984 -0.011454 0.013089 -0.011745 28O 1s 0.000786 0.000623 -0.001052 0.002112 -0.002298 0.000798 28O 2s 0.003585 0.005211 -0.006725 0.004435 -0.010171 0.001760 28O 3s -0.043564 -0.095980 0.102413 0.008130 0.107416 0.005527 28O 4s 0.124397 0.571752 -0.639101 -0.424842 -0.479133 0.005729 28O 5s -0.204174 -0.382500 -0.004140 0.673356 0.323064 -0.187516 28O 1pz 0.115655 0.237847 -0.171508 -0.167287 0.083852 -0.169878 28O 1px 0.092852 0.242219 -0.157973 -0.150585 -0.044620 -0.135243 28O 1py -0.247439 -0.313064 0.020023 -0.024796 -0.154423 0.359720 28O 2pz -0.176673 -0.511904 0.397869 0.268903 -0.004943 0.292618 28O 2px -0.096343 -0.188693 0.053033 0.172703 -0.045900 0.164111 28O 2py 0.357397 0.451037 0.002249 -0.019918 0.268360 -0.553213 28O 3pz 0.128513 0.267800 -0.271396 0.008375 0.294087 -0.542224 28O 3px 0.139493 0.270907 -0.175266 -0.085644 0.005721 -0.184579 28O 3py -0.234915 -0.332534 -0.156763 0.145061 -0.156130 0.405668 28O 1dz2 0.000028 0.007366 -0.002894 -0.003078 0.003039 -0.008451 28O 1dxz 0.000495 0.007696 -0.002264 -0.001153 -0.009200 -0.005318 28O 1dyz -0.005723 -0.006809 0.001883 0.006794 0.001164 0.006361 28O 1dx2y2 0.002392 -0.002324 0.003409 -0.002920 0.011485 -0.004345 28O 1dxy 0.003761 0.004805 0.000117 0.000441 0.001891 -0.003928 28O 2dz2 -0.072855 -0.065355 0.028819 0.045957 0.023814 0.008067 28O 2dxz 0.017856 0.033886 0.010374 -0.002776 -0.002404 -0.058283 28O 2dyz -0.013800 -0.096996 0.071016 0.173659 0.129191 -0.057474 28O 2dx2y2 0.051419 0.064686 0.000069 -0.051499 0.033914 -0.058032 28O 2dxy 0.012380 0.005732 0.038910 0.012111 0.011141 0.025301 28O 1f0 0.001341 0.000989 -0.002314 0.004968 -0.004672 0.002351 28O 1f+1 0.000830 -0.000860 0.000364 0.000199 -0.001192 0.004519 28O 1f-1 -0.002235 -0.002704 0.000175 -0.006040 -0.002379 0.003004 28O 1f+2 -0.004380 -0.008189 0.002415 0.002906 0.001140 0.005852 28O 1f-2 0.005340 0.003203 -0.010174 -0.003859 -0.004598 -0.001399 28O 1f+3 -0.002322 -0.004657 0.001130 -0.002618 -0.000790 0.004085 28O 1f-3 0.007253 -0.000114 0.008039 0.007681 0.009061 -0.009138 29O 1s -0.006841 0.007723 0.004935 0.012585 0.001385 -0.012442 29O 2s -0.022523 0.024919 0.015462 0.039441 0.002725 -0.040545 29O 3s 0.126059 -0.125993 -0.066725 -0.169976 0.033671 0.218187 29O 4s -0.134058 0.172943 0.023972 0.044778 -0.131980 -0.197854 29O 5s 0.201130 -0.659507 -0.245605 -0.558175 -0.375118 0.361235 29O 1pz 0.008159 -0.005084 0.012077 0.017938 0.078033 0.017344 29O 1px -0.000371 -0.130537 -0.043449 -0.004694 -0.072588 -0.054284 29O 1py 0.048523 -0.105429 -0.023759 -0.014258 0.006460 0.046495 29O 2pz 0.000918 -0.038267 -0.019790 0.062188 -0.092776 -0.075301 29O 2px 0.045992 0.092412 0.009469 -0.109979 0.030654 0.155984 29O 2py -0.117526 0.264615 0.101166 0.187685 0.095784 -0.164961 29O 3pz 0.022553 -0.040603 0.005598 0.108955 0.082527 -0.026147 29O 3px 0.007301 0.048705 -0.068930 -0.033986 -0.008288 -0.037760 29O 3py -0.020948 0.040599 0.086526 0.187901 0.116667 -0.053955 29O 1dz2 -0.000195 0.003261 0.000749 0.005226 0.000618 -0.002816 29O 1dxz -0.002053 0.002793 0.001937 0.002842 0.002876 -0.003156 29O 1dyz 0.000134 -0.000746 -0.000179 0.001127 -0.002476 -0.000351 29O 1dx2y2 0.002520 -0.004342 -0.001404 -0.004607 -0.001985 0.003918 29O 1dxy 0.002001 -0.001664 -0.002757 -0.003235 -0.003018 0.002206 29O 2dz2 0.003394 0.020993 -0.013341 -0.052501 -0.047299 0.022852 29O 2dxz 0.010546 -0.038918 -0.024729 -0.029365 -0.024557 0.004937 29O 2dyz -0.009667 0.027501 0.009222 -0.041496 -0.018736 0.021936 29O 2dx2y2 0.002738 -0.020553 0.008023 0.012344 -0.001555 0.003035 29O 2dxy -0.019810 0.054079 0.023010 0.058142 0.022561 -0.040657 29O 1f0 -0.002874 0.004719 0.005306 0.012180 0.009219 -0.004844 29O 1f+1 0.001322 -0.001792 -0.002365 -0.004454 -0.004612 0.002541 29O 1f-1 -0.001467 0.000468 0.004765 0.014975 0.009348 -0.008161 29O 1f+2 -0.000738 -0.000290 -0.000452 -0.002461 -0.001331 0.000149 29O 1f-2 -0.003541 0.007481 0.003803 0.009320 0.003130 -0.005113 29O 1f+3 -0.001631 0.001989 0.000965 0.002755 -0.000100 -0.002895 29O 1f-3 0.000617 -0.004780 -0.000829 -0.002946 -0.001429 0.000688 30O 1s 0.003349 0.004443 -0.002079 -0.000830 0.000405 -0.000176 30O 2s 0.008230 0.015849 -0.002232 -0.005810 0.005802 -0.001214 30O 3s 0.006071 -0.115217 -0.066772 0.083615 -0.128267 0.027007 30O 4s -0.137759 0.304891 0.605180 -0.545541 0.759150 -0.036373 30O 5s -0.050248 -0.219461 0.231453 0.824252 -0.576513 -0.001875 30O 1pz 0.098529 0.177919 -0.087758 0.226111 -0.353793 0.346522 30O 1px 0.007945 0.109738 0.133770 -0.099988 0.074459 0.083706 30O 1py -0.016198 0.094522 -0.170985 0.304382 -0.219821 0.174025 30O 2pz -0.083536 -0.272232 0.035394 -0.323002 0.382364 -0.500081 30O 2px -0.125122 -0.127743 0.015075 0.055083 0.113100 -0.183587 30O 2py -0.031704 -0.075307 0.414280 -0.475967 0.512949 -0.291261 30O 3pz -0.141772 0.377404 0.153844 0.155651 -0.296260 0.407699 30O 3px -0.142433 0.096129 0.267735 -0.032314 0.084979 0.118935 30O 3py 0.146113 0.108521 -0.412959 0.241528 -0.245022 0.529100 30O 1dz2 0.001873 0.003861 -0.003203 0.004156 -0.004205 0.009803 30O 1dxz -0.000308 0.000609 0.002747 -0.001310 0.010662 0.000360 30O 1dyz -0.008431 -0.001022 0.007166 -0.006919 0.010339 -0.005690 30O 1dx2y2 -0.007363 -0.003115 -0.003510 0.002630 -0.006905 0.004435 30O 1dxy 0.000677 -0.003202 -0.001676 -0.003801 -0.006042 0.000862 30O 2dz2 0.108276 -0.059268 -0.072865 0.010872 -0.043654 0.001973 30O 2dxz 0.008242 0.033070 0.001362 0.042163 -0.023815 0.060777 30O 2dyz -0.046603 0.037952 0.089391 -0.167241 0.181649 0.010961 30O 2dx2y2 -0.100444 -0.048298 0.003328 -0.090722 0.118353 -0.024058 30O 2dxy 0.038631 0.020612 0.034781 -0.034976 -0.008921 0.090723 30O 1f0 -0.004178 -0.003226 0.001718 0.006493 0.005706 -0.005972 30O 1f+1 -0.006255 -0.014180 -0.008650 0.006107 0.000908 -0.011438 30O 1f-1 -0.005816 0.000236 0.000102 -0.003792 0.001840 0.004009 30O 1f+2 -0.004078 0.006309 -0.000321 0.001503 -0.001307 0.005479 30O 1f-2 0.008487 0.001068 -0.010343 0.006882 -0.007606 0.002793 30O 1f+3 -0.003612 0.002375 0.001595 -0.000398 -0.004128 0.005400 30O 1f-3 0.012110 -0.008426 -0.000811 -0.000599 -0.007404 0.000387 31O 1s 0.003323 -0.004548 -0.002190 -0.000742 -0.000516 0.000515 31O 2s 0.008246 -0.016328 -0.002446 -0.005752 -0.005802 0.001617 31O 3s 0.004051 0.120315 -0.068615 0.088414 0.122288 -0.001490 31O 4s -0.136690 -0.324062 0.629928 -0.586749 -0.701210 0.083991 31O 5s -0.097215 0.259621 0.216693 0.854912 0.527361 -0.160889 31O 1pz -0.132153 0.159676 0.106713 -0.246900 -0.353684 -0.321106 31O 1px -0.016919 0.109972 -0.134252 0.101621 0.057987 -0.097111 31O 1py -0.015937 0.081059 0.184390 -0.317853 -0.201853 -0.140950 31O 2pz 0.131557 -0.243583 -0.057935 0.343631 0.386118 0.468807 31O 2px 0.137397 -0.125258 -0.022642 -0.044700 0.124401 0.181517 31O 2py 0.077663 -0.056048 -0.440014 0.506567 0.480074 0.229873 31O 3pz 0.048517 0.353389 -0.125467 -0.184001 -0.314357 -0.401597 31O 3px 0.143129 0.084637 -0.267850 0.031535 0.064475 -0.095041 31O 3py -0.148426 0.093311 0.426198 -0.248801 -0.241293 -0.493025 31O 1dz2 0.002430 -0.003451 -0.003551 0.004325 0.004322 0.009519 31O 1dxz -0.000429 -0.000554 0.003033 -0.001973 -0.010491 0.000848 31O 1dyz -0.008383 0.000612 0.007648 -0.007506 -0.009789 -0.004614 31O 1dx2y2 -0.006817 0.003243 -0.003779 0.003067 0.006996 0.004077 31O 1dxy 0.000022 0.002991 -0.001757 -0.003480 0.006327 0.000986 31O 2dz2 0.089824 0.059546 -0.071241 0.009661 0.038335 0.000236 31O 2dxz 0.012250 -0.030365 -0.001749 0.044282 0.024418 0.059081 31O 2dyz -0.036954 -0.043017 0.095535 -0.176707 -0.165504 0.039521 31O 2dx2y2 -0.095912 0.044738 0.008598 -0.096337 -0.110621 -0.009898 31O 2dxy 0.033349 -0.020242 0.035227 -0.034964 0.016614 0.095683 31O 1f0 0.004660 -0.003148 -0.002070 -0.006244 0.006267 0.006295 31O 1f+1 0.006853 -0.013851 0.008390 -0.005776 0.002004 0.012785 31O 1f-1 0.004714 0.000035 0.000073 0.004179 0.001405 -0.004107 31O 1f+2 0.002111 0.006183 0.000719 -0.001764 -0.001340 -0.005257 31O 1f-2 -0.008834 0.000628 0.010687 -0.007561 -0.006819 -0.001665 31O 1f+3 0.003360 0.002514 -0.001425 0.000100 -0.004487 -0.005450 31O 1f-3 -0.009715 -0.008145 0.000573 0.000506 -0.007197 -0.000089 32O 1s -0.006434 -0.007170 0.004952 0.012798 -0.002501 -0.012085 32O 2s -0.020953 -0.023210 0.015462 0.040191 -0.006301 -0.039546 32O 3s 0.111687 0.119362 -0.065386 -0.175473 -0.015898 0.217395 32O 4s -0.101444 -0.172788 0.020070 0.055119 0.119787 -0.201949 32O 5s 0.191286 0.628524 -0.255593 -0.566096 0.413203 0.292793 32O 1pz -0.005866 -0.004743 -0.015357 -0.015415 0.076788 -0.024128 32O 1px 0.006904 -0.123222 0.042952 0.007981 -0.069102 0.067842 32O 1py -0.031048 -0.104522 0.021723 0.019033 0.006488 -0.042020 32O 2pz 0.006573 -0.044561 0.022550 -0.061114 -0.087524 0.078682 32O 2px -0.057109 0.087019 -0.007091 0.106300 0.016642 -0.167886 32O 2py 0.096957 0.252491 -0.100225 -0.195516 0.106463 0.145457 32O 3pz -0.016867 -0.042620 -0.007494 -0.099502 0.086189 0.017534 32O 3px -0.008347 0.056197 0.066330 0.037201 -0.007075 0.035437 32O 3py 0.027809 0.031185 -0.088694 -0.187719 0.127724 0.039335 32O 1dz2 -0.000373 -0.003106 0.000783 0.005289 -0.001025 -0.002545 32O 1dxz -0.002032 -0.002581 0.002044 0.002882 -0.003109 -0.002902 32O 1dyz -0.000031 0.000772 -0.000184 0.001444 0.002381 -0.000650 32O 1dx2y2 0.002576 0.004139 -0.001458 -0.004612 0.002327 0.003496 32O 1dxy 0.001490 0.001486 -0.002711 -0.003152 0.003161 0.001895 32O 2dz2 0.011455 -0.022649 -0.016714 -0.049455 0.051837 0.019111 32O 2dxz 0.010827 0.038270 -0.024592 -0.029065 0.026431 0.002278 32O 2dyz -0.004044 -0.028161 0.006399 -0.041407 0.023367 0.019477 32O 2dx2y2 0.004744 0.023164 0.006827 0.013432 0.001947 0.002293 32O 2dxy -0.023849 -0.049889 0.023105 0.058354 -0.025746 -0.037081 32O 1f0 0.003219 0.004041 -0.005215 -0.011133 0.009276 0.003378 32O 1f+1 -0.001652 -0.001812 0.002742 0.004987 -0.005225 -0.002341 32O 1f-1 0.002767 0.000113 -0.005395 -0.015182 0.010672 0.007313 32O 1f+2 0.000264 -0.000345 0.000744 0.003183 -0.001943 -0.000268 32O 1f-2 0.003313 0.006844 -0.003540 -0.009119 0.003526 0.004772 32O 1f+3 0.001618 0.002207 -0.001124 -0.003141 0.000310 0.002698 32O 1f-3 -0.000882 -0.004453 0.000743 0.002873 -0.001511 -0.000413 33O 1s 0.000846 -0.000788 -0.001235 0.002182 0.002103 0.001150 33O 2s 0.003744 -0.005489 -0.007455 0.004926 0.009509 0.002922 33O 3s -0.044813 0.092534 0.109360 0.000502 -0.102316 -0.001197 33O 4s 0.132750 -0.544912 -0.668834 -0.384051 0.478378 0.016288 33O 5s -0.162653 0.384446 0.003674 0.643679 -0.352996 -0.234974 33O 1pz -0.097648 0.236117 0.166184 0.172248 0.092829 0.164289 33O 1px -0.079191 0.235805 0.158435 0.142960 -0.038115 0.135210 33O 1py 0.212234 -0.309907 -0.009011 0.018326 -0.180616 -0.366148 33O 2pz 0.159002 -0.499099 -0.396142 -0.264022 -0.023792 -0.293277 33O 2px 0.071374 -0.191839 -0.046129 -0.172503 -0.051267 -0.158199 33O 2py -0.305187 0.445373 -0.021429 0.030208 0.303986 0.558015 33O 3pz -0.067780 0.250587 0.245471 0.009158 0.333933 0.517668 33O 3px -0.144110 0.264143 0.180653 0.079652 0.014579 0.203765 33O 3py 0.203066 -0.358725 0.156677 -0.161472 -0.166344 -0.415707 33O 1dz2 -0.000191 -0.007681 -0.002750 -0.003173 -0.003455 -0.008493 33O 1dxz 0.000315 -0.007385 -0.002593 -0.000244 0.008871 -0.006000 33O 1dyz -0.005032 0.006394 0.001842 0.006598 -0.001030 0.006252 33O 1dx2y2 0.002211 0.002163 0.003875 -0.003647 -0.011407 -0.003596 33O 1dxy 0.003032 -0.004657 0.000342 0.000488 -0.002193 -0.003992 33O 2dz2 -0.063129 0.064302 0.030416 0.043790 -0.023966 0.006964 33O 2dxz 0.012832 -0.032218 0.011945 -0.000742 -0.001269 -0.058410 33O 2dyz -0.012057 0.091092 0.075531 0.160550 -0.137590 -0.059057 33O 2dx2y2 0.048951 -0.060337 0.001868 -0.049233 -0.034382 -0.057085 33O 2dxy 0.012467 0.002339 0.042759 0.016814 -0.010126 0.026650 33O 1f0 -0.001804 0.000267 0.002387 -0.005698 -0.004355 -0.001736 33O 1f+1 -0.002011 -0.001704 -0.000527 -0.000696 -0.001353 -0.004260 33O 1f-1 0.001961 -0.002562 0.000088 0.006061 -0.002922 -0.003359 33O 1f+2 0.004496 -0.007635 -0.002689 -0.002746 0.001005 -0.005843 33O 1f-2 -0.004894 0.003249 0.010580 0.004063 -0.004354 0.001444 33O 1f+3 0.001867 -0.004779 -0.001214 0.002441 -0.001145 -0.003964 33O 1f-3 -0.006071 0.000325 -0.008394 -0.006843 0.009727 0.009344 34O 1s 0.000973 0.002495 -0.004877 0.004871 0.007777 -0.001832 34O 2s 0.004153 0.008439 -0.018816 0.018159 0.028876 -0.006055 34O 3s -0.029789 -0.059089 0.162699 -0.160675 -0.241919 0.044163 34O 4s 0.250584 0.090369 -0.480647 0.380258 0.819561 0.027488 34O 5s -0.471659 -0.624572 1.527476 -0.231427 -1.591466 0.041721 34O 1pz -0.043503 0.258072 0.013474 0.014003 -0.138639 -0.223575 34O 1px 0.036210 0.071520 -0.103922 0.077104 0.050905 -0.063240 34O 1py 0.162785 0.254360 -0.241226 0.132729 0.148540 -0.121456 34O 2pz 0.010025 -0.423708 0.108804 -0.082359 0.098149 0.335863 34O 2px -0.071897 -0.163956 0.198331 0.005998 -0.027699 0.095423 34O 2py -0.216555 -0.324966 0.261559 -0.195140 -0.181352 0.152124 34O 3pz 0.055034 0.313552 -0.048232 -0.368084 -0.157520 -0.455382 34O 3px -0.017603 -0.293346 0.093833 -0.254926 -0.212204 0.061801 34O 3py 0.018629 0.480080 -0.089704 0.364070 -0.152104 -0.383506 34O 1dz2 -0.002638 -0.007481 0.002693 0.001551 0.002553 0.005921 34O 1dxz -0.000291 -0.008106 0.006925 -0.001711 -0.002571 0.003641 34O 1dyz 0.003147 0.002353 -0.009263 0.002184 0.006593 -0.002489 34O 1dx2y2 -0.004674 0.000537 -0.002267 -0.003323 -0.000404 0.004450 34O 1dxy -0.003443 -0.002099 -0.003302 -0.000722 0.003401 0.000685 34O 2dz2 0.007845 -0.005061 -0.007154 0.003134 0.057656 0.032136 34O 2dxz -0.023523 -0.033199 0.208199 -0.106313 -0.214963 -0.080540 34O 2dyz 0.110666 -0.028823 -0.103838 -0.017489 0.210258 0.078266 34O 2dx2y2 0.011459 0.006276 -0.014908 -0.059642 0.045301 0.019810 34O 2dxy 0.022389 0.111242 -0.205700 0.066819 0.179918 -0.071298 34O 1f0 0.013550 -0.002709 -0.011141 0.007913 0.019172 0.009161 34O 1f+1 0.008034 -0.007082 -0.005486 0.004536 0.012086 0.011693 34O 1f-1 0.000925 0.002368 -0.002803 -0.001608 0.000937 -0.001628 34O 1f+2 -0.000484 -0.000593 0.002553 -0.008532 -0.004725 -0.004256 34O 1f-2 -0.000578 0.006666 -0.011710 0.004101 0.001326 -0.005864 34O 1f+3 0.006212 0.002357 0.004912 -0.007905 0.003190 0.007353 34O 1f-3 -0.001746 -0.003088 -0.007677 0.011975 0.012636 0.010947 35O 1s 0.000852 0.007649 0.003981 0.002111 -0.001069 -0.000410 35O 2s 0.003034 0.026679 0.014391 0.008546 -0.004508 -0.000711 35O 3s -0.023977 -0.194005 -0.119733 -0.092569 0.058202 0.003387 35O 4s 0.001857 0.452843 0.246843 0.199742 -0.274962 0.091971 35O 5s -0.136158 -1.172473 -0.889999 0.047573 0.765260 -0.458738 35O 1pz -0.010941 -0.055678 -0.143743 -0.075200 0.185637 0.059593 35O 1px -0.029529 0.112185 0.038817 0.048163 0.024655 0.077567 35O 1py 0.094832 -0.138522 0.043997 0.014122 -0.111926 -0.199342 35O 2pz -0.002015 0.033694 0.131699 0.072657 -0.218907 -0.093360 35O 2px 0.015831 -0.158429 -0.041841 0.029144 -0.074880 -0.150841 35O 2py -0.141237 0.117382 -0.109410 -0.041235 0.167985 0.252935 35O 3pz 0.054007 -0.010839 -0.192129 -0.161129 0.106271 0.408881 35O 3px 0.008781 -0.250905 -0.072095 0.037658 0.161133 0.217140 35O 3py 0.263149 -0.518343 -0.148231 -0.167735 -0.194200 -0.356508 35O 1dz2 -0.002343 -0.000592 -0.002747 -0.001901 0.000814 -0.006470 35O 1dxz -0.001663 -0.001033 -0.002156 -0.001638 0.000397 -0.002735 35O 1dyz -0.002301 -0.001588 -0.004154 -0.002480 0.003231 0.000045 35O 1dx2y2 0.003150 0.001720 0.003400 0.002992 -0.001391 -0.003923 35O 1dxy -0.000195 0.001637 -0.002709 -0.000547 0.003618 -0.001022 35O 2dz2 -0.017519 0.022548 0.011524 0.049858 0.047359 -0.046508 35O 2dxz -0.044806 -0.075717 -0.173498 -0.055971 0.148600 0.046566 35O 2dyz -0.000299 -0.109463 -0.059301 0.023052 0.117072 -0.061069 35O 2dx2y2 -0.004344 0.116921 0.061068 0.075446 -0.015471 0.087090 35O 2dxy 0.014594 -0.129771 -0.082939 -0.050808 0.053931 -0.098219 35O 1f0 0.003346 -0.009414 -0.003284 -0.001039 -0.001707 -0.011220 35O 1f+1 0.000620 -0.006433 -0.013154 -0.012499 0.001701 0.000021 35O 1f-1 -0.000762 -0.000347 -0.004159 -0.001241 0.005096 -0.002530 35O 1f+2 0.003269 0.003524 0.004067 0.006045 -0.000979 -0.000003 35O 1f-2 -0.002144 0.004122 -0.004589 -0.002644 0.003021 0.008362 35O 1f+3 0.008136 -0.011475 -0.005570 -0.007813 -0.004874 -0.009052 35O 1f-3 -0.009662 0.012357 0.001596 -0.002982 0.004932 0.014523 474 475 476 477 478 479 2.81052 2.82438 2.89505 2.91638 2.92737 2.92992 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s 0.000752 -0.000285 -0.000336 0.005461 -0.000080 -0.000086 0Rh 2s -0.004732 0.002996 0.004160 -0.045631 0.000128 0.000434 0Rh 3s 0.001578 0.000133 0.000539 0.004628 -0.000399 -0.000248 0Rh 4s 0.024848 -0.015623 -0.021747 0.239330 -0.000747 -0.002342 0Rh 5s -0.045688 0.032845 0.047844 -0.476489 0.000389 0.004423 0Rh 6s 0.024538 -0.026593 -0.049291 0.311340 0.002074 -0.002899 0Rh 7s -0.170741 -0.051561 0.088930 -0.013631 0.028724 -0.039318 0Rh 8s 0.202682 0.058513 0.036435 0.215960 -0.052450 -0.011551 0Rh 1pz -0.012219 -0.007633 0.003366 -0.002435 0.000289 -0.002521 0Rh 1px -0.005771 -0.000002 0.001839 0.004116 0.000773 0.000906 0Rh 1py 0.004976 -0.011952 -0.001886 -0.000111 -0.001637 -0.002373 0Rh 2pz 0.043907 0.027740 -0.012612 0.009259 -0.001281 0.008993 0Rh 2px 0.020350 -0.000106 -0.006711 -0.015977 -0.002847 -0.003595 0Rh 2py -0.018032 0.042777 0.007034 0.000308 0.006034 0.009215 0Rh 3pz -0.038709 -0.030663 0.021525 -0.018826 0.006433 -0.006427 0Rh 3px -0.009633 0.002511 0.007774 0.037820 0.003957 0.010096 0Rh 3py 0.018872 -0.033890 -0.011699 0.001765 -0.008655 -0.023101 0Rh 4pz -0.159897 -0.077567 0.005244 0.010557 -0.018725 -0.038761 0Rh 4px -0.110034 -0.009824 0.018013 -0.031792 0.004227 -0.014035 0Rh 4py 0.054876 -0.172442 -0.001880 -0.010047 -0.006736 0.032430 0Rh 5pz 0.311253 0.167560 -0.019297 -0.014079 0.038796 0.076237 0Rh 5px 0.222302 0.019259 -0.039075 0.010511 -0.009152 0.015338 0Rh 5py -0.117841 0.339652 0.000253 0.016090 0.011634 -0.068141 0Rh 6pz 0.014157 -0.232472 -0.284989 -0.217661 -0.080296 -0.218845 0Rh 6px -0.461725 -0.080223 -0.043274 0.151076 0.036233 0.111407 0Rh 6py 0.207369 -0.170908 0.065597 0.238434 -0.067024 0.118289 0Rh 1dz2 -0.005699 0.001446 0.026110 0.002450 0.024128 -0.009898 0Rh 1dxz 0.025587 0.009993 0.014390 -0.000302 0.014513 0.007269 0Rh 1dyz -0.003086 0.008791 0.005124 -0.000882 -0.008227 0.005377 0Rh 1dx2y2 0.005768 -0.013836 0.016761 -0.001284 0.021361 -0.004577 0Rh 1dxy -0.004195 0.025878 0.004811 -0.005389 0.005109 -0.008162 0Rh 2dz2 0.000729 -0.003063 0.002756 0.000525 0.002009 -0.000703 0Rh 2dxz 0.000689 -0.000055 0.001275 -0.000347 0.002363 0.000439 0Rh 2dyz 0.003781 -0.006250 -0.000989 -0.000099 -0.001725 0.000983 0Rh 2dx2y2 0.002946 -0.001270 0.002453 -0.000206 0.001913 -0.000068 0Rh 2dxy 0.002544 -0.000441 0.000114 -0.000458 -0.000788 -0.002284 0Rh 3dz2 0.013574 0.009988 -0.091580 -0.010013 -0.082694 0.033404 0Rh 3dxz -0.079509 -0.029740 -0.049493 0.002156 -0.055042 -0.024286 0Rh 3dyz -0.008413 0.002857 -0.010738 0.003016 0.033108 -0.020886 0Rh 3dx2y2 -0.030735 0.047159 -0.061968 0.005214 -0.073754 0.014294 0Rh 3dxy 0.000862 -0.075283 -0.015069 0.018619 -0.012037 0.035205 0Rh 4dz2 0.008632 -0.050533 0.060290 0.011909 0.048846 -0.018553 0Rh 4dxz 0.027185 0.007046 0.031173 -0.000850 0.047306 0.014159 0Rh 4dyz 0.061012 -0.098757 -0.016360 -0.000397 -0.034737 0.019575 0Rh 4dx2y2 0.050137 -0.028937 0.049508 -0.008707 0.045167 -0.004770 0Rh 4dxy 0.036762 0.008293 0.004310 -0.012572 -0.007518 -0.040218 0Rh 5dz2 -0.091691 0.196192 0.081612 -0.025719 0.116265 -0.050910 0Rh 5dxz 0.132022 0.071557 0.037001 -0.024665 0.001113 0.030386 0Rh 5dyz -0.237041 0.437335 0.183922 -0.023339 0.027952 -0.021271 0Rh 5dx2y2 -0.095780 -0.035378 0.017825 0.038473 0.078659 -0.052064 0Rh 5dxy -0.149414 0.224960 0.059210 -0.015156 0.085446 0.056275 0Rh 1f0 -0.033407 0.057482 0.021366 -0.003628 0.021577 0.027456 0Rh 1f+1 0.045039 0.013458 -0.016249 0.001508 0.001023 0.013794 0Rh 1f-1 0.050397 0.129834 0.003748 0.009755 0.010111 0.052595 0Rh 1f+2 -0.131404 -0.025854 0.022926 -0.022593 0.024261 -0.015664 0Rh 1f-2 -0.035104 0.049312 0.006457 0.001988 0.014007 0.030803 0Rh 1f+3 0.068140 -0.028465 -0.000487 0.001192 -0.015349 -0.005896 0Rh 1f-3 -0.030511 0.058772 0.016751 0.003394 0.015945 0.003229 1Rh 1s -0.000711 0.000251 -0.000327 0.005473 0.000055 0.000106 1Rh 2s 0.003776 -0.002730 0.004087 -0.045738 0.000048 -0.000647 1Rh 3s -0.001912 -0.000175 0.000549 0.004636 0.000357 0.000233 1Rh 4s -0.019869 0.014237 -0.021364 0.239894 -0.000179 0.003455 1Rh 5s 0.033670 -0.030228 0.047078 -0.477638 0.001360 -0.006786 1Rh 6s -0.007930 0.025437 -0.048762 0.312125 -0.002889 0.004956 1Rh 7s 0.113124 0.051039 0.089976 -0.009869 -0.030205 0.035972 1Rh 8s -0.192144 -0.062726 0.034867 0.214547 0.052278 0.015101 1Rh 1pz -0.012300 -0.007659 -0.003413 0.002297 0.000236 -0.002561 1Rh 1px -0.005799 0.000090 -0.001784 -0.004076 0.000811 0.000913 1Rh 1py 0.005122 -0.012058 0.001699 -0.000060 -0.001769 -0.002508 1Rh 2pz 0.044183 0.027835 0.012776 -0.008772 -0.001083 0.009142 1Rh 2px 0.020541 -0.000455 0.006508 0.015818 -0.002992 -0.003616 1Rh 2py -0.018550 0.043163 -0.006375 0.000324 0.006530 0.009725 1Rh 3pz -0.038623 -0.030863 -0.021539 0.018610 0.006173 -0.006607 1Rh 3px -0.011710 0.003203 -0.007479 -0.037322 0.004229 0.009997 1Rh 3py 0.019232 -0.034391 0.011358 -0.002678 -0.009516 -0.024059 1Rh 4pz -0.162294 -0.077313 -0.006371 -0.013225 -0.019172 -0.039100 1Rh 4px -0.102871 -0.010026 -0.017693 0.030963 0.004196 -0.013464 1Rh 4py 0.057174 -0.173155 -0.001518 0.009304 -0.006892 0.032542 1Rh 5pz 0.315704 0.166690 0.021410 0.019320 0.039997 0.076857 1Rh 5px 0.209661 0.018938 0.038077 -0.009460 -0.009314 0.014360 1Rh 5py -0.122255 0.340945 0.006313 -0.014663 0.012327 -0.068005 1Rh 6pz 0.020528 -0.236186 0.281160 0.206472 -0.085265 -0.215341 1Rh 6px -0.444887 -0.079913 0.048732 -0.146286 0.034270 0.107319 1Rh 6py 0.212063 -0.168807 -0.074831 -0.243020 -0.058196 0.143516 1Rh 1dz2 0.005027 -0.001893 0.026403 0.002451 -0.023946 0.010132 1Rh 1dxz -0.026104 -0.010158 0.014043 -0.001152 -0.014718 -0.007231 1Rh 1dyz 0.003091 -0.009012 0.005189 -0.000944 0.008559 -0.004886 1Rh 1dx2y2 -0.004813 0.013754 0.017228 -0.001291 -0.021396 0.004670 1Rh 1dxy 0.004243 -0.025922 0.004124 -0.005591 -0.004856 0.008652 1Rh 2dz2 -0.000695 0.003037 0.002768 0.000529 -0.001993 0.000726 1Rh 2dxz -0.000637 0.000048 0.001259 -0.000423 -0.002384 -0.000425 1Rh 2dyz -0.003751 0.006280 -0.001038 -0.000129 0.001759 -0.000967 1Rh 2dx2y2 -0.003031 0.001264 0.002490 -0.000244 -0.001935 0.000058 1Rh 2dxy -0.002586 0.000458 0.000022 -0.000443 0.000781 0.002294 1Rh 3dz2 -0.011740 -0.008530 -0.092528 -0.010033 0.082068 -0.034217 1Rh 3dxz 0.080794 0.030272 -0.048363 0.005093 0.055761 0.024103 1Rh 3dyz 0.008254 -0.002345 -0.010713 0.003336 -0.034264 0.019326 1Rh 3dx2y2 0.028306 -0.046891 -0.063550 0.005405 0.073965 -0.014530 1Rh 3dxy -0.000805 0.075334 -0.012562 0.019169 0.011294 -0.036746 1Rh 4dz2 -0.008345 0.049846 0.060709 0.011970 -0.048522 0.019001 1Rh 4dxz -0.026462 -0.007334 0.030649 -0.002756 -0.047780 -0.013901 1Rh 4dyz -0.060457 0.099215 -0.017072 -0.000831 0.035358 -0.019150 1Rh 4dx2y2 -0.051210 0.028822 0.050426 -0.009237 -0.045508 0.004663 1Rh 4dxy -0.037444 -0.008043 0.002335 -0.012537 0.007636 0.040737 1Rh 5dz2 0.083100 -0.198276 0.083009 -0.026147 -0.114276 0.053395 1Rh 5dxz -0.140778 -0.072045 0.034852 -0.026925 -0.001727 -0.030717 1Rh 5dyz 0.234480 -0.442475 0.186790 -0.022876 -0.024065 0.028400 1Rh 5dx2y2 0.110838 0.035062 0.019717 0.040205 -0.078196 0.053458 1Rh 5dxy 0.152323 -0.226423 0.058959 -0.018116 -0.082673 -0.051535 1Rh 1f0 -0.035270 0.057944 -0.020639 0.005071 0.021582 0.027163 1Rh 1f+1 0.045623 0.013344 0.016451 -0.000719 0.001167 0.014321 1Rh 1f-1 0.050082 0.131240 -0.002301 -0.007204 0.010357 0.052678 1Rh 1f+2 -0.130503 -0.026094 -0.023129 0.021799 0.024249 -0.016173 1Rh 1f-2 -0.035697 0.049629 -0.005252 -0.000787 0.014983 0.031866 1Rh 1f+3 0.070509 -0.028332 -0.000277 -0.001504 -0.015638 -0.006090 1Rh 1f-3 -0.030084 0.059190 -0.016044 -0.002899 0.015860 0.003193 2C 1s 0.005817 0.002556 0.002329 0.002312 -0.001380 0.001158 2C 2s 0.023008 0.016592 0.007587 0.005255 -0.002423 0.005579 2C 3s -0.765117 -1.055007 -0.176694 -0.081036 -0.179543 -0.223151 2C 4s 3.537793 5.306975 0.930008 0.292621 1.052052 1.239600 2C 5s 0.082454 -1.434358 0.473112 1.327704 -0.124228 -1.045890 2C 1pz -0.255260 -0.362432 -0.016507 0.005663 -0.063387 -0.036679 2C 1px -0.072335 -0.046556 0.014277 0.027317 0.000693 -0.006967 2C 1py -0.181742 -0.218044 -0.072421 -0.026858 -0.029727 -0.068737 2C 2pz 2.376369 3.343446 0.405019 0.212645 0.267396 0.519167 2C 2px 0.647806 0.524290 -0.017735 -0.067370 0.039720 0.016221 2C 2py 1.638545 1.971959 0.797486 0.627126 0.748155 0.992029 2C 3pz 0.146891 -0.114295 0.176844 0.299230 0.101308 -0.218947 2C 3px 0.093855 -0.063293 0.060175 -0.011372 -0.063073 -0.064877 2C 3py 0.016772 -0.048650 0.042775 0.283965 -0.059682 -0.091235 2C 1dz2 -0.022192 -0.000864 -0.016446 -0.026119 -0.039941 0.040132 2C 1dxz -0.030009 -0.063288 -0.044481 -0.024259 -0.003359 -0.063335 2C 1dyz -0.058125 -0.082769 0.017156 0.026134 0.023466 -0.043347 2C 1dx2y2 -0.020689 -0.028940 0.013267 0.085670 0.030361 -0.012659 2C 1dxy -0.023981 -0.090177 0.094045 0.130320 0.016671 0.102529 2C 2dz2 0.509575 0.751745 0.121387 0.122053 0.137101 0.121952 2C 2dxz 0.306676 0.240028 0.401442 0.285241 0.257692 0.440671 2C 2dyz 0.826383 1.005215 0.214402 0.208018 0.176466 0.340331 2C 2dx2y2 -0.168067 -0.464287 -0.022535 -0.055644 0.011108 0.013409 2C 2dxy 0.166060 0.329748 -0.446287 -0.421505 -0.324798 -0.482973 2C 1f0 0.003242 0.053578 0.073943 0.077523 0.062854 0.100920 2C 1f+1 -0.036581 -0.018478 0.074329 0.067122 0.098548 0.062292 2C 1f-1 0.049211 0.045728 0.047808 0.101657 0.060040 0.036713 2C 1f+2 -0.080786 -0.093631 0.079851 0.103171 0.095642 0.058378 2C 1f-2 -0.009481 0.006326 0.018673 0.044287 -0.023961 0.011844 2C 1f+3 -0.037738 -0.044719 -0.034798 0.008504 -0.103084 -0.017301 2C 1f-3 0.004578 0.039236 -0.005727 -0.055707 -0.044305 0.000617 3C 1s 0.003783 -0.003659 -0.002940 0.002197 0.000145 -0.001329 3C 2s 0.019582 -0.015870 -0.010515 0.005095 -0.000264 -0.001655 3C 3s -0.978250 0.687006 0.334964 -0.115984 0.033840 -0.367925 3C 4s 4.820493 -3.357296 -1.717562 0.514872 -0.307969 1.916327 3C 5s -1.323612 -0.120569 -0.444610 1.432845 0.911109 0.712340 3C 1pz -0.184511 0.142587 0.099209 -0.042231 -0.007496 -0.090088 3C 1px -0.091936 0.072995 0.046515 0.009193 -0.022246 -0.031656 3C 1py 0.333941 -0.241631 -0.052555 -0.003644 -0.014348 0.109512 3C 2pz 1.646945 -1.301150 -1.049008 0.667796 -0.209735 0.937299 3C 2px 0.905796 -0.795266 -0.627382 0.235033 -0.129812 0.552512 3C 2py -3.174675 2.271981 0.814027 -0.320864 0.126370 -0.659854 3C 3pz -0.040045 -0.010415 -0.116761 0.318389 0.124573 0.180544 3C 3px -0.015696 0.010241 0.005068 0.133098 0.197970 0.034001 3C 3py 0.117276 0.158153 0.217073 -0.314246 -0.155786 -0.318395 3C 1dz2 0.078433 -0.031914 0.076434 -0.127994 -0.039544 -0.078061 3C 1dxz -0.022443 0.011015 -0.025092 -0.043524 0.034217 -0.035522 3C 1dyz 0.056389 -0.022792 0.044079 -0.046936 -0.003178 -0.033361 3C 1dx2y2 -0.032135 -0.006195 -0.079718 0.106826 -0.016123 0.090984 3C 1dxy 0.111939 -0.050764 -0.033261 -0.028450 0.041539 -0.029948 3C 2dz2 -0.307758 0.160365 -0.306806 0.260424 -0.015744 0.233244 3C 2dxz 0.528526 -0.288628 0.098002 0.032010 -0.011536 -0.064181 3C 2dyz -0.934731 0.626162 0.076645 -0.012802 0.027947 -0.094972 3C 2dx2y2 -0.592527 0.534767 0.583395 -0.415086 0.141952 -0.468688 3C 2dxy -0.439437 0.385811 0.477051 -0.246080 0.024647 -0.318289 3C 1f0 0.002099 0.001694 0.014582 -0.085429 -0.037738 0.019083 3C 1f+1 0.058834 -0.029568 0.039682 -0.078860 0.037389 -0.080198 3C 1f-1 -0.030765 0.034215 -0.113638 0.095500 0.005364 0.086911 3C 1f+2 -0.092461 0.068639 0.034868 -0.034290 0.030760 -0.096033 3C 1f-2 -0.037845 0.054718 -0.041363 0.022833 -0.055570 0.071369 3C 1f+3 -0.025266 0.002643 -0.090893 0.079146 -0.061762 0.054449 3C 1f-3 -0.058991 0.013235 0.058716 -0.026925 0.045796 -0.039839 4C 1s -0.009626 -0.014772 0.000666 0.008455 -0.001459 -0.002253 4C 2s -0.039243 -0.058688 0.001418 0.025394 -0.006473 -0.009476 4C 3s 1.009157 1.313222 0.037193 0.195678 0.183407 0.021190 4C 4s -4.150998 -5.302335 -0.408194 -1.429048 -0.814926 -0.129656 4C 5s -0.280384 0.257082 -0.134582 -1.345081 -0.158710 0.750329 4C 1pz -0.122913 -0.244426 -0.074059 -0.003457 -0.064401 -0.117651 4C 1px -0.030448 0.012031 -0.029560 -0.025265 0.000566 -0.011213 4C 1py -0.107599 -0.142010 -0.027822 -0.004570 -0.017978 -0.053574 4C 2pz 2.019992 3.089210 0.712842 -0.035320 0.575848 1.248273 4C 2px 0.537226 0.636493 0.209146 -0.006553 0.108557 0.175713 4C 2py 1.460068 2.075004 0.410288 -0.056075 0.343915 0.746983 4C 3pz -0.222728 -0.859441 0.601976 0.663283 -0.092485 -0.522572 4C 3px -0.087374 0.188993 -0.012070 0.098501 0.101748 -0.074779 4C 3py 0.209796 -0.503426 0.369151 0.146784 0.019923 -0.307603 4C 1dz2 0.014307 0.070526 -0.240392 -0.200731 -0.281898 -0.192025 4C 1dxz 0.054344 0.048699 -0.065236 -0.117329 0.118361 -0.012978 4C 1dyz 0.004852 -0.052737 0.238739 0.305080 0.268625 0.132239 4C 1dx2y2 -0.017074 -0.053808 -0.110803 0.008628 0.125063 -0.222292 4C 1dxy 0.027967 0.029721 -0.097197 -0.011450 -0.374336 -0.064402 4C 2dz2 -0.638228 -0.752134 0.003082 0.191335 0.145016 -0.051978 4C 2dxz -0.247677 -0.634036 -0.237190 0.115815 -0.313452 -0.414115 4C 2dyz -0.918104 -1.128177 -0.498454 -0.548743 -0.526838 -0.426649 4C 2dx2y2 0.199943 0.510764 0.198870 -0.304904 -0.103095 0.364980 4C 2dxy -0.161484 -0.557093 0.368997 0.065707 0.489152 0.314541 4C 1f0 -0.005575 0.041960 -0.030317 0.083874 0.109589 -0.020482 4C 1f+1 0.059592 -0.008899 -0.035760 0.143193 -0.069483 -0.042213 4C 1f-1 0.002280 0.017844 -0.012708 0.029795 -0.065639 0.003435 4C 1f+2 -0.072572 -0.006717 0.013634 -0.089076 -0.018241 0.067953 4C 1f-2 -0.085616 -0.079882 0.055864 0.090578 0.079535 -0.001399 4C 1f+3 0.024713 0.019286 -0.058464 -0.011968 0.104126 -0.022513 4C 1f-3 0.015863 0.067281 0.070653 0.145454 0.048814 -0.023532 5C 1s -0.014339 0.007601 0.000470 0.009048 0.001088 -0.001354 5C 2s -0.056379 0.031959 0.003502 0.027184 0.003823 -0.007756 5C 3s 1.272408 -0.858613 -0.209962 0.198316 0.125575 0.629054 5C 4s -5.171656 3.613005 1.119654 -1.506095 -0.548286 -2.810858 5C 5s 0.167130 0.267702 0.116709 -1.393799 -0.813493 -1.265673 5C 1pz -0.130019 0.115929 0.041826 -0.003428 0.028319 -0.014499 5C 1px -0.044437 0.012798 0.030542 -0.027430 0.017429 0.001079 5C 1py 0.208009 -0.139505 -0.113994 0.022871 -0.053152 0.053759 5C 2pz 1.639573 -1.245726 -0.642534 0.015474 -0.326876 0.273849 5C 2px 1.123125 -0.791779 -0.363082 0.071053 -0.206490 0.120642 5C 2py -2.805204 2.010323 1.216121 -0.099501 0.545143 -0.531581 5C 3pz -0.587448 -0.140714 -0.303633 0.241710 0.267669 0.177003 5C 3px 0.033690 -0.166969 -0.292716 0.031189 0.009702 0.196607 5C 3py 0.797390 -0.269630 0.625402 -0.841159 -0.458840 -0.350329 5C 1dz2 -0.069758 0.011857 -0.291757 0.098659 -0.235877 0.224704 5C 1dxz 0.083034 -0.003142 -0.033766 -0.042695 0.208399 -0.246845 5C 1dyz 0.063704 0.016973 0.227942 -0.287522 -0.034138 -0.180168 5C 1dx2y2 -0.073811 0.044973 -0.166662 0.158167 0.057636 0.205218 5C 1dxy 0.005228 0.017719 0.095076 -0.049342 0.229797 -0.209178 5C 2dz2 0.445718 -0.248389 0.379321 0.009024 0.317838 -0.078395 5C 2dxz -0.712899 0.371661 0.055706 0.229813 -0.059384 0.368510 5C 2dyz 0.862436 -0.698223 -0.459436 0.525965 0.069769 0.564192 5C 2dx2y2 0.628677 -0.553542 -0.381631 -0.119969 -0.226422 -0.037186 5C 2dxy 0.772744 -0.580440 -0.527690 0.144466 -0.362275 0.537508 5C 1f0 -0.023201 0.004170 -0.044608 0.045290 0.108953 -0.013949 5C 1f+1 0.053177 -0.015092 -0.090075 0.110287 -0.040389 0.151503 5C 1f-1 -0.041925 0.077279 -0.029926 0.066093 -0.055270 0.070862 5C 1f+2 -0.015470 -0.046384 0.043843 -0.034278 -0.038726 0.056092 5C 1f-2 0.031860 0.019188 0.013005 -0.130712 0.002210 -0.093119 5C 1f+3 -0.017071 -0.008637 -0.018932 0.137704 0.111452 0.021185 5C 1f-3 -0.081013 0.080992 -0.050429 -0.120500 -0.023930 -0.115523 6C 1s 0.014124 -0.007680 0.000320 0.009074 -0.001214 0.001285 6C 2s 0.055205 -0.032224 0.002836 0.027337 -0.004209 0.007540 6C 3s -1.228976 0.861182 -0.190587 0.179167 -0.126152 -0.628161 6C 4s 4.983291 -3.621857 1.036675 -1.423617 0.565521 2.819847 6C 5s -0.222744 -0.248984 0.104656 -1.354484 0.828782 1.266543 6C 1pz -0.125371 0.116721 -0.039246 0.003479 0.027486 -0.015746 6C 1px -0.041996 0.012449 -0.029004 0.028112 0.016551 -0.000086 6C 1py 0.201481 -0.141146 0.110038 -0.022068 -0.051238 0.056557 6C 2pz 1.569256 -1.255878 0.612665 -0.012165 -0.317650 0.289126 6C 2px 1.075640 -0.791206 0.342854 -0.077454 -0.201281 0.130795 6C 2py -2.690856 2.027044 -1.166092 0.092774 0.527644 -0.559019 6C 3pz -0.647410 -0.145843 0.304446 -0.230395 0.271621 0.183407 6C 3px 0.018512 -0.171093 0.294671 -0.024348 0.010378 0.192318 6C 3py 0.785471 -0.266590 -0.628663 0.813989 -0.477886 -0.376878 6C 1dz2 0.066023 -0.010062 -0.290457 0.100275 0.232283 -0.238692 6C 1dxz -0.083837 0.002735 -0.032846 -0.041654 -0.210666 0.246407 6C 1dyz -0.063209 -0.017154 0.225200 -0.283526 0.040307 0.189108 6C 1dx2y2 0.068324 -0.044406 -0.165502 0.151474 -0.061447 -0.212080 6C 1dxy -0.008551 -0.019954 0.094350 -0.048661 -0.228803 0.213824 6C 2dz2 -0.428088 0.244591 0.381897 -0.001364 -0.313313 0.100323 6C 2dxz 0.702182 -0.371853 0.046531 0.228970 0.062158 -0.372150 6C 2dyz -0.821922 0.699934 -0.439467 0.512876 -0.079327 -0.576043 6C 2dx2y2 -0.587294 0.560357 -0.365449 -0.112961 0.222205 0.030001 6C 2dxy -0.741288 0.590444 -0.518534 0.136725 0.354903 -0.556272 6C 1f0 -0.021147 0.004106 0.043367 -0.043792 0.109870 -0.013986 6C 1f+1 0.057740 -0.015207 0.088667 -0.107393 -0.039070 0.153549 6C 1f-1 -0.031012 0.077398 0.029691 -0.065367 -0.054004 0.074101 6C 1f+2 -0.022986 -0.046386 -0.044899 0.034545 -0.039562 0.054870 6C 1f-2 0.037601 0.018510 -0.012165 0.128920 0.001509 -0.093175 6C 1f+3 -0.019252 -0.008333 0.018859 -0.134299 0.113131 0.020756 6C 1f-3 -0.072197 0.080196 0.051686 0.116012 -0.024310 -0.114651 7C 1s 0.009390 0.014758 0.000906 0.008701 0.001465 0.002384 7C 2s 0.038004 0.058700 0.002438 0.026463 0.006478 0.009867 7C 3s -0.964020 -1.315726 0.009919 0.171889 -0.182977 -0.020353 7C 4s 3.954379 5.315980 -0.291054 -1.327697 0.806023 0.110186 7C 5s 0.221781 -0.252089 -0.141457 -1.353589 0.150416 -0.777221 7C 1pz -0.116475 -0.246626 0.067372 -0.005612 -0.062655 -0.115848 7C 1px -0.029775 0.011724 0.028864 0.024716 0.001513 -0.010166 7C 1py -0.102881 -0.144021 0.023814 -0.000146 -0.016667 -0.052293 7C 2pz 1.904510 3.112956 -0.635989 0.131822 0.553054 1.217561 7C 2px 0.519281 0.639105 -0.195824 0.021673 0.097920 0.168446 7C 2py 1.388989 2.102927 -0.362274 0.116509 0.328625 0.730007 7C 3pz -0.205109 -0.832546 -0.613951 -0.681613 -0.101590 -0.551457 7C 3px -0.061751 0.190353 0.011535 -0.097525 0.094743 -0.069578 7C 3py 0.155649 -0.497458 -0.382623 -0.162953 0.005412 -0.336755 7C 1dz2 -0.008405 -0.066572 -0.243616 -0.192092 0.290149 0.207157 7C 1dxz -0.047385 -0.048936 -0.065227 -0.116611 -0.118712 0.013656 7C 1dyz -0.004245 0.047572 0.236750 0.296920 -0.270304 -0.134703 7C 1dx2y2 0.020863 0.054105 -0.110957 0.014127 -0.123759 0.225452 7C 1dxy -0.028825 -0.026697 -0.100794 -0.009543 0.378309 0.073751 7C 2dz2 0.593343 0.753354 0.029716 0.208763 -0.165406 0.023615 7C 2dxz 0.223132 0.638452 -0.227733 0.138465 0.313723 0.413514 7C 2dyz 0.871506 1.148957 -0.471685 -0.510830 0.526888 0.426587 7C 2dx2y2 -0.199053 -0.521104 0.182744 -0.323957 0.113891 -0.351223 7C 2dxy 0.155679 0.542484 0.381474 0.062054 -0.496931 -0.335726 7C 1f0 -0.002012 0.042374 0.031146 -0.082630 0.111669 -0.018951 7C 1f+1 0.051928 -0.008271 0.037201 -0.142491 -0.070986 -0.044948 7C 1f-1 0.002018 0.017726 0.010989 -0.030914 -0.064694 0.003249 7C 1f+2 -0.061996 -0.005310 -0.014154 0.091027 -0.017582 0.070277 7C 1f-2 -0.076418 -0.077741 -0.056536 -0.091957 0.079676 0.000558 7C 1f+3 0.015665 0.017123 0.059039 0.012052 0.103085 -0.023074 7C 1f-3 0.020641 0.068991 -0.068562 -0.143913 0.050348 -0.023092 8C 1s -0.003356 0.003675 -0.002893 0.002289 -0.000238 0.001227 8C 2s -0.018143 0.015949 -0.010237 0.005311 -0.000009 0.001336 8C 3s 0.942632 -0.691223 0.316955 -0.106419 -0.029692 0.373697 8C 4s -4.661505 3.381139 -1.626228 0.463555 0.287559 -1.946568 8C 5s 1.424397 0.107869 -0.452966 1.399037 -0.929838 -0.725624 8C 1pz -0.175964 0.143358 -0.095957 0.039509 -0.009167 -0.091539 8C 1px -0.087050 0.073677 -0.043977 -0.010579 -0.022017 -0.031912 8C 1py 0.320380 -0.242264 0.047314 0.006077 -0.014387 0.110091 8C 2pz 1.557677 -1.309780 1.015735 -0.647969 -0.190971 0.970400 8C 2px 0.849414 -0.806864 0.603058 -0.223240 -0.120292 0.564097 8C 2py -3.044964 2.279865 -0.765502 0.305404 0.114239 -0.670395 8C 3pz -0.037635 -0.008898 0.114746 -0.309369 0.131984 0.185260 8C 3px -0.020496 0.012212 -0.005780 -0.127316 0.200513 0.038905 8C 3py 0.146254 0.158596 -0.215065 0.302998 -0.158899 -0.321196 8C 1dz2 -0.077997 0.031926 0.075029 -0.125300 0.042995 0.080778 8C 1dxz 0.022862 -0.010330 -0.027076 -0.041277 -0.033884 0.033442 8C 1dyz -0.055226 0.022901 0.043037 -0.046319 0.004124 0.034962 8C 1dx2y2 0.035614 0.006108 -0.077890 0.105416 0.013998 -0.093823 8C 1dxy -0.109008 0.051122 -0.033982 -0.028516 -0.041168 0.028581 8C 2dz2 0.298617 -0.157454 -0.305676 0.255765 0.007704 -0.246147 8C 2dxz -0.519808 0.284503 0.111929 0.025909 0.010655 0.076676 8C 2dyz 0.897664 -0.628499 0.069190 -0.010411 -0.027937 0.093222 8C 2dx2y2 0.557190 -0.539324 0.565341 -0.405498 -0.129400 0.485824 8C 2dxy 0.408332 -0.391419 0.469000 -0.243017 -0.017322 0.337194 8C 1f0 0.004037 0.001020 -0.014039 0.084842 -0.039271 0.019021 8C 1f+1 0.056882 -0.028690 -0.039066 0.077169 0.036365 -0.083671 8C 1f-1 -0.024226 0.034651 0.112618 -0.093792 0.007293 0.093127 8C 1f+2 -0.087969 0.068997 -0.033448 0.032274 0.029929 -0.096767 8C 1f-2 -0.033388 0.054912 0.042406 -0.022537 -0.054827 0.074006 8C 1f+3 -0.023801 0.002551 0.090459 -0.080331 -0.060616 0.058513 8C 1f-3 -0.060911 0.014513 -0.057720 0.026056 0.043665 -0.043918 9C 1s -0.005418 -0.002578 0.002294 0.002407 0.001466 -0.000888 9C 2s -0.021646 -0.016683 0.007263 0.005280 0.002704 -0.004803 9C 3s 0.730721 1.061772 -0.150244 -0.053229 0.174503 0.216401 9C 4s -3.383984 -5.346119 0.793138 0.137747 -1.026854 -1.214734 9C 5s 0.010638 1.410122 0.516267 1.376429 0.140092 1.098626 9C 1pz -0.241699 -0.363298 0.008576 -0.012989 -0.061880 -0.034396 9C 1px -0.068850 -0.046767 -0.016195 -0.028848 -0.000025 -0.006773 9C 1py -0.173525 -0.221549 0.067275 0.019400 -0.029150 -0.068963 9C 2pz 2.244275 3.355700 -0.329102 -0.144169 0.240966 0.473521 9C 2px 0.610933 0.532389 0.039187 0.082117 0.027996 0.006353 9C 2py 1.549711 2.010284 -0.750327 -0.550493 0.742923 0.988239 9C 3pz 0.119381 -0.107114 -0.179451 -0.301888 0.095163 -0.230833 9C 3px 0.085913 -0.064357 -0.062871 0.008861 -0.058540 -0.070185 9C 3py 0.021386 -0.044663 -0.044006 -0.284309 -0.061700 -0.097806 9C 1dz2 0.018082 0.001540 -0.014992 -0.027153 0.038558 -0.042136 9C 1dxz 0.028621 0.062028 -0.044869 -0.021732 0.005104 0.064202 9C 1dyz 0.056407 0.082772 0.015774 0.027538 -0.021623 0.046857 9C 1dx2y2 0.020271 0.026918 0.009362 0.082137 -0.025623 0.018565 9C 1dxy 0.024844 0.089459 0.094457 0.127371 -0.016111 -0.103433 9C 2dz2 -0.472380 -0.751607 0.100142 0.103169 -0.126791 -0.105069 9C 2dxz -0.286032 -0.246533 0.395131 0.261471 -0.259947 -0.444431 9C 2dyz -0.782325 -1.018353 0.200708 0.185864 -0.179355 -0.344521 9C 2dx2y2 0.164819 0.470424 0.002400 -0.037383 -0.031936 -0.044440 9C 2dxy -0.163912 -0.316606 -0.452148 -0.403779 0.332130 0.500094 9C 1f0 0.008319 0.054651 -0.072560 -0.070956 0.064388 0.104680 9C 1f+1 -0.033371 -0.015845 -0.073878 -0.064199 0.101241 0.064287 9C 1f-1 0.045270 0.046725 -0.047576 -0.100578 0.060415 0.036855 9C 1f+2 -0.072975 -0.093604 -0.081877 -0.101306 0.098669 0.063564 9C 1f-2 -0.010150 0.005509 -0.019021 -0.044458 -0.021832 0.012355 9C 1f+3 -0.037370 -0.045915 0.035141 -0.010735 -0.104462 -0.021882 9C 1f-3 0.003457 0.036634 0.006197 0.054315 -0.047114 -0.001353 10H 1s 0.050346 0.132950 0.042021 0.023663 0.052685 0.018459 10H 2s -0.105669 -0.131738 0.117016 0.184493 -0.106166 0.096490 10H 3s -0.008959 0.186284 -0.005848 -0.076983 0.104547 0.077628 10H 1pz -0.178252 -0.152962 -0.050229 0.032358 -0.061047 -0.078410 10H 1px -0.080484 -0.008806 -0.049039 -0.025902 0.040943 -0.058787 10H 1py -0.100627 -0.142009 0.144743 0.143167 0.020581 0.114625 11H 1s 0.062575 0.096843 -0.138667 -0.109136 -0.020349 -0.102286 11H 2s -0.015411 -0.014631 -0.387347 -0.349832 -0.547780 -0.530713 11H 3s 0.033152 0.126618 0.090036 -0.049467 0.167634 0.117683 11H 1pz -0.080882 -0.116121 -0.189273 -0.142115 -0.218101 -0.243816 11H 1px 0.004305 -0.088229 -0.047441 -0.033550 -0.147472 -0.069191 11H 1py -0.108277 -0.150540 -0.063124 -0.062844 -0.021174 -0.046067 12H 1s 0.096466 0.029024 0.104569 0.060402 0.015184 0.120536 12H 2s 0.014744 -0.307602 0.387947 0.451156 0.398804 0.503981 12H 3s 0.021893 0.221069 -0.086844 -0.151025 -0.135438 0.021408 12H 1pz -0.147416 -0.197666 0.053450 0.068050 0.041412 0.047980 12H 1px -0.025552 -0.104630 -0.013674 0.017377 0.027884 0.013837 12H 1py -0.019451 -0.171451 0.165837 0.208398 0.159622 0.173759 13H 1s 0.116391 -0.102289 -0.049763 0.038558 -0.032099 0.077960 13H 2s -0.060228 0.083234 -0.069433 0.252784 -0.002050 -0.177003 13H 3s 0.127001 -0.028789 -0.063344 -0.079862 -0.123202 0.082969 13H 1pz -0.123465 0.054869 -0.131399 0.133985 0.026368 -0.019493 13H 1px -0.095778 0.056542 -0.061896 0.037777 -0.002250 0.088971 13H 1py 0.139307 -0.113908 -0.079020 -0.056355 -0.000089 0.084977 14H 1s 0.014513 -0.046039 -0.122347 0.036511 0.044541 0.059445 14H 2s -0.305072 0.074428 -0.476990 0.375990 -0.203865 0.304404 14H 3s 0.238529 0.017910 0.081534 -0.133059 0.067323 -0.097382 14H 1pz -0.107461 0.031353 -0.171133 0.157280 -0.060817 0.117729 14H 1px -0.129342 0.045183 -0.084029 0.083660 -0.070157 0.047928 14H 1py 0.199946 -0.166848 0.030986 -0.040171 -0.001559 -0.035626 15H 1s 0.101460 -0.055583 0.144304 -0.100386 -0.011585 -0.042267 15H 2s 0.109368 0.056321 0.443812 -0.344744 0.103651 -0.664766 15H 3s 0.107116 -0.001403 -0.089580 -0.042654 -0.090799 0.145579 15H 1pz -0.111147 0.084078 0.077314 -0.047255 -0.009335 0.022875 15H 1px -0.132708 0.081371 0.057804 -0.048297 0.058033 -0.107739 15H 1py 0.070847 -0.077949 -0.241128 0.130458 -0.051631 0.279785 16H 1s 0.011552 0.021117 0.007172 -0.011909 -0.006688 0.011778 16H 2s -0.158122 -0.169377 -0.051386 0.317883 0.068088 -0.000450 16H 3s -0.023471 0.038177 -0.015338 -0.057989 0.006817 -0.007396 16H 1pz -0.076181 -0.074435 -0.027509 0.140300 0.025346 0.004585 16H 1px 0.025934 0.042682 0.000769 0.020674 -0.004082 0.014964 16H 1py -0.002975 -0.019137 0.003049 0.017035 0.011343 0.008011 17H 1s -0.022184 0.006326 0.004774 -0.009553 0.006955 0.003176 17H 2s -0.057919 -0.073753 -0.118689 0.299566 0.064359 -0.012756 17H 3s -0.017575 -0.047523 -0.019887 -0.033635 0.024152 -0.007900 17H 1pz 0.030724 0.009757 0.039938 -0.104664 -0.023860 -0.004540 17H 1px 0.026574 0.042600 0.033075 -0.069810 -0.022264 0.006512 17H 1py -0.013010 0.000198 -0.018588 0.038313 0.024238 0.002452 18H 1s 0.020700 -0.006286 0.004510 -0.009809 -0.007016 -0.003299 18H 2s 0.081673 0.073915 -0.119340 0.301027 -0.066067 0.016895 18H 3s 0.017282 0.048417 -0.021141 -0.033912 -0.026786 0.008042 18H 1pz 0.039171 0.011091 -0.041550 0.105547 -0.025118 -0.002738 18H 1px 0.034407 0.042478 -0.032882 0.070380 -0.023483 0.007190 18H 1py -0.016633 0.002027 0.017663 -0.035239 0.024072 0.001867 19H 1s -0.012578 -0.022050 0.006903 -0.012555 0.006501 -0.012519 19H 2s 0.184579 0.172020 -0.047464 0.318547 -0.067843 0.003053 19H 3s 0.024424 -0.036651 -0.012549 -0.056451 -0.004052 0.005556 19H 1pz -0.087717 -0.075254 0.025430 -0.140297 0.024595 0.004202 19H 1px 0.027587 0.043607 0.000888 -0.018421 -0.003806 0.014276 19H 1py -0.008919 -0.019430 -0.003669 -0.019745 0.011891 0.008552 20H 1s -0.096683 0.054480 0.144471 -0.099633 0.015437 0.047605 20H 2s -0.120758 -0.058955 0.433091 -0.329954 -0.095964 0.685255 20H 3s -0.112827 0.004526 -0.086094 -0.045642 0.091861 -0.148613 20H 1pz -0.105668 0.084585 -0.076248 0.048330 -0.011093 0.021086 20H 1px -0.129641 0.081057 -0.055800 0.046959 0.056807 -0.111187 20H 1py 0.067091 -0.079651 0.235432 -0.124439 -0.048180 0.289576 21H 1s -0.009347 0.047360 -0.121009 0.034915 -0.046114 -0.063324 21H 2s 0.319426 -0.067537 -0.477321 0.375574 0.191874 -0.327912 21H 3s -0.256527 -0.017909 0.083732 -0.133353 -0.066334 0.099079 21H 1pz -0.110106 0.029669 0.171342 -0.157131 -0.056239 0.126129 21H 1px -0.134429 0.044219 0.084722 -0.084779 -0.067546 0.052985 21H 1py 0.188124 -0.166517 -0.033574 0.039176 -0.002470 -0.038877 22H 1s -0.111643 0.102237 -0.047730 0.037123 0.030355 -0.079092 22H 2s 0.062841 -0.088164 -0.070192 0.257604 -0.003235 0.170341 22H 3s -0.140400 0.032903 -0.060558 -0.081266 0.122928 -0.082647 22H 1pz -0.123889 0.055576 0.132702 -0.135084 0.030027 -0.012598 22H 1px -0.087920 0.055305 0.060946 -0.034484 -0.001542 0.090173 22H 1py 0.130993 -0.116015 0.077095 0.057937 0.000008 0.086621 23H 1s -0.090596 -0.031971 0.104569 0.055064 -0.017995 -0.125609 23H 2s -0.001014 0.296209 0.396912 0.437823 -0.407012 -0.519595 23H 3s -0.042085 -0.215766 -0.094095 -0.154424 0.135032 -0.022172 23H 1pz -0.134896 -0.196685 -0.057713 -0.067173 0.044661 0.054280 23H 1px -0.028030 -0.104142 0.012073 -0.018067 0.028628 0.013327 23H 1py -0.023785 -0.168806 -0.170572 -0.205934 0.162354 0.178961 24H 1s -0.057379 -0.094757 -0.140216 -0.106254 0.020920 0.105900 24H 2s 0.009207 0.022087 -0.383966 -0.315232 0.559010 0.552800 24H 3s -0.039437 -0.126798 0.084793 -0.060224 -0.171214 -0.123656 24H 1pz -0.077643 -0.119834 0.185060 0.126327 -0.222823 -0.252878 24H 1px 0.001972 -0.087363 0.045515 0.026414 -0.149588 -0.074182 24H 1py -0.103166 -0.152924 0.061374 0.061032 -0.021445 -0.044997 25H 1s -0.047156 -0.133568 0.039038 0.019953 -0.049981 -0.017088 25H 2s 0.103500 0.136439 0.121863 0.189223 0.109927 -0.080958 25H 3s -0.001815 -0.188402 -0.014110 -0.086301 -0.102340 -0.084204 25H 1pz -0.170103 -0.155514 0.047558 -0.038769 -0.063296 -0.085753 25H 1px -0.073293 -0.007292 0.052868 0.028594 0.040259 -0.056917 25H 1py -0.097382 -0.140766 -0.147277 -0.140405 0.022986 0.116538 26O 1s 0.000135 0.007162 0.001382 0.004974 0.001768 0.006990 26O 2s -0.000965 0.024406 0.003933 0.016435 0.005358 0.022946 26O 3s 0.015750 -0.179625 -0.008656 -0.160295 -0.029407 -0.117113 26O 4s -0.174428 0.325150 -0.094454 0.451029 0.001861 -0.076359 26O 5s 0.452217 -0.299691 -0.501434 0.459508 -0.076996 -0.421822 26O 1pz 0.038516 0.087176 -0.102432 -0.105944 -0.017350 -0.060669 26O 1px 0.033267 -0.104330 -0.086086 0.060035 -0.037733 -0.113401 26O 1py -0.134468 -0.077939 0.207634 0.108099 0.063906 0.049215 26O 2pz -0.073856 -0.144869 0.216714 0.168342 0.090331 0.135126 26O 2px -0.083365 0.057235 0.245645 -0.310740 0.112751 0.336610 26O 2py 0.179882 0.090006 -0.250488 -0.290277 -0.174293 -0.002559 26O 3pz 0.381310 0.218421 -0.258582 -0.211449 0.061569 0.112076 26O 3px 0.156252 -0.092914 -0.021729 -0.152901 -0.010903 0.091934 26O 3py -0.093433 0.114799 -0.071821 -0.079658 -0.146864 0.016187 26O 1dz2 0.006026 0.007572 -0.002733 -0.006075 0.001100 0.002954 26O 1dxz 0.003338 0.003427 -0.002465 -0.001957 0.000092 -0.001593 26O 1dyz 0.005585 0.004434 -0.001553 0.006266 0.000227 0.001533 26O 1dx2y2 0.002733 -0.006292 -0.000264 0.002798 0.000382 -0.006368 26O 1dxy 0.004777 -0.006170 0.004096 0.005948 0.002115 -0.000801 26O 2dz2 0.092996 0.085030 -0.021895 -0.072223 0.000842 0.007781 26O 2dxz -0.048555 -0.087708 -0.052379 -0.038667 -0.056987 -0.039320 26O 2dyz 0.116720 -0.000027 -0.020065 0.059354 -0.000164 0.037205 26O 2dx2y2 -0.036703 0.026206 -0.026792 0.005403 -0.060262 -0.122597 26O 2dxy 0.055350 -0.105377 0.024906 0.090863 0.053700 0.029586 26O 1f0 -0.004897 -0.003012 0.003516 0.010025 -0.010416 0.000219 26O 1f+1 0.009046 0.015053 0.005794 0.007468 0.009279 -0.000061 26O 1f-1 -0.010424 -0.006337 0.000283 0.000932 0.013926 -0.007344 26O 1f+2 -0.004500 -0.001996 -0.003252 -0.001468 0.017399 0.000272 26O 1f-2 0.004835 0.006211 0.001849 -0.007106 0.008598 0.009448 26O 1f+3 -0.002306 0.003533 0.009632 0.008705 -0.037423 0.018595 26O 1f-3 0.009288 0.003981 -0.011978 0.006777 0.010396 -0.013482 27O 1s 0.005240 -0.000982 -0.005248 0.006894 -0.003510 -0.000163 27O 2s 0.017742 -0.003309 -0.015886 0.023092 -0.011869 -0.001938 27O 3s -0.131411 0.035675 0.081198 -0.203636 0.058380 -0.019291 27O 4s 0.229857 -0.085687 0.046885 0.494122 0.032681 0.220739 27O 5s -0.054492 0.124254 0.352904 0.255439 0.555626 0.608484 27O 1pz -0.040726 0.125151 -0.177431 0.041363 -0.034434 0.051430 27O 1px -0.123181 0.079467 -0.048994 0.088823 0.068248 0.103976 27O 1py -0.101951 0.125231 -0.159696 0.077790 0.001886 -0.005639 27O 2pz 0.081839 -0.189855 0.263491 -0.052973 0.117300 -0.129367 27O 2px 0.075749 -0.049672 -0.014727 -0.341239 -0.221453 -0.378070 27O 2py 0.189297 -0.194607 0.300370 -0.113761 0.071880 -0.003311 27O 3pz 0.207029 0.189686 0.002321 -0.059370 0.050091 -0.114800 27O 3px -0.045537 0.052336 -0.103713 -0.206898 -0.114399 -0.301823 27O 3py -0.303207 0.226868 -0.160550 0.350545 0.140115 0.035526 27O 1dz2 0.001680 -0.001117 0.001109 -0.002234 -0.000744 -0.007007 27O 1dxz -0.000264 -0.000555 -0.003375 -0.000242 0.000914 0.000489 27O 1dyz -0.004019 0.000708 0.002692 -0.004387 -0.001097 -0.004453 27O 1dx2y2 -0.009345 0.007071 -0.003226 0.007903 0.005652 0.009520 27O 1dxy -0.003429 0.001252 -0.000127 -0.003798 -0.002334 -0.004881 27O 2dz2 -0.007013 -0.007591 -0.008219 -0.024231 -0.004666 -0.032637 27O 2dxz -0.103834 0.007686 -0.045570 0.006624 -0.034674 0.047721 27O 2dyz -0.048849 0.032611 0.042987 -0.047843 -0.011788 -0.081256 27O 2dx2y2 -0.078774 0.027466 -0.011000 0.097260 0.041392 0.075390 27O 2dxy 0.074587 -0.091860 -0.031838 -0.015720 -0.020339 0.060820 27O 1f0 0.005443 -0.007358 0.008296 -0.004481 -0.017841 0.018362 27O 1f+1 0.001849 -0.004091 0.011012 0.005759 0.004613 0.008648 27O 1f-1 0.003825 -0.001267 -0.003399 -0.001486 -0.007464 0.004541 27O 1f+2 0.012565 -0.001965 -0.011157 0.003777 0.020930 -0.017544 27O 1f-2 -0.005870 0.004160 0.007141 0.000732 -0.012145 0.006146 27O 1f+3 0.010280 -0.009670 -0.002025 0.003603 -0.019312 0.020947 27O 1f-3 -0.000045 -0.002661 0.005443 -0.014842 -0.025683 -0.006294 28O 1s -0.004921 -0.005093 0.002384 0.008685 -0.000950 0.003071 28O 2s -0.016943 -0.021216 0.007155 0.030263 -0.004173 0.009334 28O 3s 0.107061 0.220447 -0.033441 -0.272466 0.043985 -0.012239 28O 4s -0.251635 -1.009656 -0.018222 0.749264 -0.177020 -0.328199 28O 5s 0.616669 1.430024 -0.473017 0.072345 0.210903 -0.345948 28O 1pz 0.014314 -0.191397 0.054202 0.086627 0.052109 0.007489 28O 1px 0.029691 -0.132912 0.019311 -0.024120 0.005196 0.099278 28O 1py -0.226855 -0.013090 -0.062150 -0.046357 -0.084800 -0.128149 28O 2pz -0.090789 0.363293 -0.063250 -0.329447 -0.126604 0.100589 28O 2px 0.010458 0.055627 -0.107893 0.241464 -0.080229 -0.347650 28O 2py 0.303905 -0.035192 0.221942 0.134550 0.277449 0.296812 28O 3pz 0.002764 -0.101149 -0.047382 -0.103386 -0.054818 0.130755 28O 3px 0.279962 0.244012 -0.120459 -0.014774 -0.005540 -0.078185 28O 3py -0.264362 0.116958 0.009114 0.112802 0.078546 -0.033903 28O 1dz2 0.003001 0.002493 0.002953 0.001778 0.001051 0.005034 28O 1dxz 0.005022 -0.000657 -0.001542 -0.007034 -0.003990 0.005041 28O 1dyz 0.001296 0.010945 -0.002785 0.001162 0.001843 -0.001573 28O 1dx2y2 -0.002312 -0.000267 0.001498 0.000027 -0.001472 -0.004172 28O 1dxy 0.003129 0.001731 0.002470 0.002267 0.002371 0.004380 28O 2dz2 -0.005979 0.128823 0.050508 0.008950 0.035742 0.097513 28O 2dxz 0.016135 -0.008407 0.014290 -0.049657 -0.032296 0.030500 28O 2dyz 0.078115 0.271550 -0.092698 -0.055670 -0.016132 -0.016739 28O 2dx2y2 0.035239 -0.039121 0.024971 0.033546 -0.024455 -0.042317 28O 2dxy 0.001591 0.011006 0.089000 0.107740 0.091370 0.051859 28O 1f0 0.006307 0.002648 0.002115 -0.002380 -0.027477 0.000647 28O 1f+1 -0.000479 -0.005374 0.014223 0.024429 0.037379 -0.002085 28O 1f-1 -0.007164 -0.008924 0.005783 -0.002012 0.009377 0.004165 28O 1f+2 -0.002578 0.007044 -0.003807 -0.013987 -0.003647 0.001929 28O 1f-2 -0.001261 -0.008834 -0.025959 -0.013246 -0.047129 -0.021519 28O 1f+3 -0.001817 -0.003014 0.013276 0.000158 0.001124 0.009919 28O 1f-3 0.010111 0.015867 -0.023665 -0.017772 -0.032775 -0.014848 29O 1s -0.001747 -0.000677 -0.000668 0.021780 0.000286 0.002469 29O 2s -0.005290 -0.001528 -0.001543 0.072874 0.000350 0.008465 29O 3s 0.017532 -0.012097 -0.007709 -0.444254 0.011964 -0.058273 29O 4s -0.039162 0.052974 0.051070 0.575871 -0.036261 0.099343 29O 5s 0.374706 0.173100 0.076867 -0.810315 -0.116823 -0.104406 29O 1pz -0.040929 0.003151 0.007415 -0.057461 0.004002 -0.006278 29O 1px 0.068454 0.077735 0.017360 0.131149 -0.019843 0.026377 29O 1py 0.040421 0.023047 -0.008618 -0.066440 0.015038 0.000824 29O 2pz 0.027216 -0.057903 -0.007607 0.145324 -0.004418 0.015411 29O 2px -0.075574 -0.100812 -0.000170 -0.303673 0.009243 -0.046270 29O 2py -0.106811 -0.079031 -0.018729 0.217660 0.004498 0.003235 29O 3pz -0.036540 0.037562 0.039143 -0.060809 0.011331 0.001661 29O 3px -0.039270 0.036188 0.068164 0.180341 -0.019815 0.061427 29O 3py -0.059417 -0.033909 -0.064953 0.066099 0.050661 -0.017620 29O 1dz2 -0.002275 -0.002047 -0.000930 0.002478 0.000456 -0.000069 29O 1dxz 0.000009 -0.000463 -0.001895 0.003497 -0.000010 0.000564 29O 1dyz 0.001547 -0.003677 -0.000586 0.000514 -0.000807 -0.000804 29O 1dx2y2 0.002451 0.001123 -0.001142 -0.003662 -0.000815 -0.000622 29O 1dxy 0.001442 0.001065 0.000787 -0.000393 -0.000059 0.001996 29O 2dz2 0.001875 0.020859 -0.002347 -0.020779 -0.008686 -0.004395 29O 2dxz 0.016485 0.010493 0.006918 -0.004990 -0.016898 0.009810 29O 2dyz 0.025086 -0.004416 -0.011862 -0.026787 0.000325 -0.010580 29O 2dx2y2 0.012428 -0.010434 -0.012472 0.003274 -0.007525 -0.007903 29O 2dxy -0.006631 0.003363 -0.021764 0.075548 0.015873 0.015298 29O 1f0 -0.003806 -0.004117 -0.002234 0.007151 0.001838 -0.001294 29O 1f+1 0.000298 0.001692 0.000987 -0.002894 -0.000360 0.000186 29O 1f-1 -0.004629 -0.003902 -0.002198 0.007820 0.002152 -0.000617 29O 1f+2 0.001092 0.002905 -0.000314 -0.000941 -0.000397 0.000473 29O 1f-2 0.003282 -0.003047 -0.002767 0.005992 0.000117 -0.000401 29O 1f+3 -0.002565 -0.000331 0.000507 0.001985 0.000794 -0.000103 29O 1f-3 -0.000847 0.000400 0.000469 -0.001604 -0.000640 -0.001878 30O 1s -0.005841 0.003146 -0.004143 0.009011 -0.002928 -0.003994 30O 2s -0.022877 0.012791 -0.013517 0.030814 -0.009307 -0.014808 30O 3s 0.213229 -0.118084 0.081295 -0.275735 0.021359 0.078840 30O 4s -0.891336 0.513032 -0.047832 0.766796 0.246739 -0.026332 30O 5s 1.383971 -0.841764 0.635401 0.026740 0.175103 0.772800 30O 1pz 0.078343 0.150920 0.037762 0.025263 0.059853 -0.010914 30O 1px -0.095914 0.113073 -0.027325 -0.071036 -0.017424 -0.099132 30O 1py 0.257067 -0.004912 0.059261 -0.069648 -0.048592 -0.086131 30O 2pz -0.123715 -0.237012 -0.231886 -0.129269 -0.255398 0.043922 30O 2px 0.013270 -0.124387 0.054548 0.349671 0.136366 0.305370 30O 2py -0.419564 0.022856 -0.054207 0.262148 0.124494 0.286710 30O 3pz -0.090181 0.226218 -0.053907 0.145514 -0.115831 -0.050372 30O 3px 0.288269 -0.086178 0.127231 -0.009940 0.046058 0.150222 30O 3py 0.220533 0.238309 -0.121460 0.040674 0.032206 0.175578 30O 1dz2 0.001084 0.005477 0.003937 -0.001505 -0.002934 -0.004276 30O 1dxz 0.001159 0.003520 0.000641 -0.001227 -0.005221 -0.002960 30O 1dyz -0.006844 0.006884 -0.001593 -0.005984 -0.000445 -0.008408 30O 1dx2y2 -0.000898 0.001584 0.000157 0.002279 0.001034 -0.000875 30O 1dxy -0.005650 0.000669 -0.004104 0.005729 0.003199 0.006593 30O 2dz2 0.004098 0.011337 0.117721 -0.069930 -0.010520 -0.109837 30O 2dxz 0.013219 0.032721 -0.042132 0.014595 -0.064512 0.013170 30O 2dyz -0.231479 0.168513 -0.072243 0.003193 0.021203 -0.026705 30O 2dx2y2 -0.106292 0.042331 -0.008885 0.076920 0.039211 0.068947 30O 2dxy -0.079059 0.088158 -0.022565 0.038136 0.001323 0.044047 30O 1f0 0.007546 -0.007715 0.008672 0.009476 -0.005391 0.015145 30O 1f+1 0.016865 -0.011021 0.028777 -0.018154 0.035078 -0.031383 30O 1f-1 -0.000714 0.003608 0.016971 -0.008203 0.028152 -0.029039 30O 1f+2 0.000320 -0.002850 -0.012748 0.006064 -0.007084 0.023662 30O 1f-2 0.009278 -0.005636 -0.003255 -0.010791 -0.015782 -0.003127 30O 1f+3 -0.004190 0.003467 -0.007292 0.008673 -0.012763 0.028776 30O 1f-3 -0.001427 0.004400 0.021861 -0.014568 0.004922 -0.014735 31O 1s 0.005801 -0.003205 -0.004045 0.009102 0.002756 0.003900 31O 2s 0.022742 -0.012986 -0.013221 0.031149 0.008749 0.014528 31O 3s -0.212885 0.119825 0.079580 -0.276904 -0.017593 -0.077612 31O 4s 0.884115 -0.518551 -0.048353 0.763301 -0.251729 0.027871 31O 5s -1.363123 0.826502 0.639168 0.013124 -0.166483 -0.753649 31O 1pz 0.103509 0.152873 -0.038521 -0.022961 0.059802 -0.014331 31O 1px -0.087865 0.112721 0.026727 0.068675 -0.018412 -0.100268 31O 1py 0.267177 -0.003673 -0.060370 0.068620 -0.048609 -0.089671 31O 2pz -0.159436 -0.243528 0.232715 0.123043 -0.254048 0.055252 31O 2px -0.001451 -0.121793 -0.054113 -0.341836 0.138663 0.306399 31O 2py -0.437294 0.022668 0.056363 -0.257310 0.124072 0.292276 31O 3pz -0.055735 0.227468 0.057539 -0.146675 -0.111616 -0.039870 31O 3px 0.298177 -0.081723 -0.130623 0.010164 0.042628 0.144953 31O 3py 0.263519 0.239154 0.119934 -0.035047 0.035021 0.176600 31O 1dz2 -0.001837 -0.005626 0.003901 -0.001411 0.002935 0.004333 31O 1dxz -0.001224 -0.003539 0.000595 -0.001060 0.005144 0.002745 31O 1dyz 0.007176 -0.006712 -0.001735 -0.005756 0.000519 0.008460 31O 1dx2y2 0.000465 -0.001645 0.000063 0.002302 -0.001088 0.000766 31O 1dxy 0.005470 -0.000686 -0.004168 0.005579 -0.003291 -0.006776 31O 2dz2 -0.002542 -0.013447 0.117393 -0.068657 0.011799 0.113769 31O 2dxz -0.018207 -0.032601 -0.042593 0.015548 0.063411 -0.017219 31O 2dyz 0.227290 -0.166332 -0.073269 0.004290 -0.021870 0.024969 31O 2dx2y2 0.105080 -0.042635 -0.007927 0.074720 -0.040313 -0.069509 31O 2dxy 0.070543 -0.088322 -0.024340 0.038165 -0.001972 -0.046609 31O 1f0 0.006977 -0.007533 -0.008769 -0.009216 -0.005494 0.015012 31O 1f+1 0.015705 -0.010841 -0.028764 0.018279 0.034675 -0.032749 31O 1f-1 -0.000432 0.003783 -0.016737 0.008198 0.027995 -0.029914 31O 1f+2 0.000801 -0.002998 0.012695 -0.005666 -0.006980 0.024136 31O 1f-2 0.009425 -0.005736 0.003128 0.010403 -0.015720 -0.002861 31O 1f+3 -0.003646 0.003393 0.007232 -0.008092 -0.012744 0.029125 31O 1f-3 -0.001541 0.004482 -0.021599 0.014497 0.004597 -0.015438 32O 1s 0.002766 0.000477 -0.000635 0.021671 -0.000402 -0.002438 32O 2s 0.008550 0.000834 -0.001447 0.072493 -0.000742 -0.008373 32O 3s -0.033560 0.016972 -0.007912 -0.441512 -0.009462 0.058042 32O 4s 0.049327 -0.060619 0.050203 0.571170 0.032806 -0.099719 32O 5s -0.408695 -0.170709 0.075858 -0.807451 0.120232 0.100533 32O 1pz -0.040852 0.002119 -0.009183 0.054495 0.001976 -0.005415 32O 1px 0.065942 0.080364 -0.016283 -0.129603 -0.019623 0.025900 32O 1py 0.041722 0.023669 0.008779 0.067409 0.014745 0.000235 32O 2pz 0.024411 -0.055871 0.007412 -0.137572 -0.002715 0.014659 32O 2px -0.063255 -0.104527 -0.002004 0.302217 0.007947 -0.044500 32O 2py -0.119621 -0.081391 0.017422 -0.219793 0.005344 0.003602 32O 3pz -0.040073 0.036663 -0.044047 0.061542 0.007174 0.002909 32O 3px -0.038319 0.040397 -0.068250 -0.177051 -0.019874 0.062099 32O 3py -0.069171 -0.035248 0.064946 -0.065978 0.050096 -0.021820 32O 1dz2 0.002576 0.002066 -0.000906 0.002508 -0.000486 0.000057 32O 1dxz 0.000271 0.000440 -0.001928 0.003477 -0.000015 -0.000554 32O 1dyz -0.001489 0.003721 -0.000587 0.000592 0.000812 0.000779 32O 1dx2y2 -0.002752 -0.001073 -0.001193 -0.003656 0.000824 0.000648 32O 1dxy -0.001673 -0.001064 0.000733 -0.000432 0.000042 -0.002100 32O 2dz2 -0.004757 -0.019290 -0.003279 -0.019739 0.008893 0.004618 32O 2dxz -0.018531 -0.010088 0.007116 -0.006844 0.017408 -0.010137 32O 2dyz -0.027128 0.003133 -0.013145 -0.026826 -0.000443 0.011206 32O 2dx2y2 -0.012139 0.011860 -0.011850 0.003340 0.007852 0.007996 32O 2dxy 0.010124 -0.003127 -0.022344 0.074989 -0.016139 -0.015080 32O 1f0 -0.004091 -0.003925 0.001995 -0.006772 0.001714 -0.001341 32O 1f+1 0.000624 0.001855 -0.001051 0.003308 -0.000389 0.000224 32O 1f-1 -0.005644 -0.004175 0.002216 -0.008245 0.002161 -0.000803 32O 1f+2 0.001311 0.003123 0.000263 0.001359 -0.000521 0.000452 32O 1f-2 0.002798 -0.002829 0.002795 -0.005726 0.000183 -0.000463 32O 1f+3 -0.002697 -0.000360 -0.000428 -0.002161 0.000813 -0.000137 32O 1f-3 -0.000725 0.000290 -0.000496 0.001435 -0.000681 -0.001909 33O 1s 0.004884 0.005018 0.002404 0.008569 0.001043 -0.002761 33O 2s 0.016870 0.020942 0.007296 0.029991 0.004465 -0.008315 33O 3s -0.107684 -0.218259 -0.035587 -0.273373 -0.045431 0.005515 33O 4s 0.247786 1.004456 -0.005425 0.770268 0.175873 0.336816 33O 5s -0.597795 -1.401922 -0.482544 0.067845 -0.216310 0.323200 33O 1pz 0.002175 -0.189336 -0.057647 -0.086737 0.055360 0.011537 33O 1px 0.019254 -0.131099 -0.021442 0.026093 0.006985 0.101345 33O 1py -0.197118 -0.014753 0.066600 0.041665 -0.087068 -0.133961 33O 2pz -0.069690 0.360923 0.072167 0.334356 -0.136218 0.088991 33O 2px 0.022881 0.051632 0.109808 -0.252286 -0.083153 -0.352348 33O 2py 0.259340 -0.028793 -0.229541 -0.123221 0.282051 0.309470 33O 3pz -0.044166 -0.099064 0.044889 0.103917 -0.054034 0.124668 33O 3px 0.264015 0.237875 0.122262 0.016190 -0.004107 -0.073266 33O 3py -0.229789 0.121131 -0.004972 -0.114044 0.085502 -0.025898 33O 1dz2 -0.002364 -0.002530 0.002911 0.001530 -0.001011 -0.005054 33O 1dxz -0.004514 0.000620 -0.001518 -0.007046 0.004079 -0.004911 33O 1dyz -0.001727 -0.010724 -0.003044 0.000974 -0.001812 0.001686 33O 1dx2y2 0.002608 0.000205 0.001490 0.000124 0.001530 0.004356 33O 1dxy -0.002830 -0.001809 0.002533 0.002120 -0.002538 -0.004587 33O 2dz2 0.004711 -0.128586 0.052290 0.006609 -0.038713 -0.101926 33O 2dxz -0.010619 0.007522 0.013233 -0.050669 0.034097 -0.027438 33O 2dyz -0.071193 -0.266970 -0.095820 -0.058006 0.017238 0.019592 33O 2dx2y2 -0.030431 0.038008 0.024286 0.034321 0.025766 0.044002 33O 2dxy -0.004470 -0.015048 0.088693 0.105332 -0.094094 -0.056211 33O 1f0 0.006378 0.002650 -0.002049 0.002145 -0.027733 0.000060 33O 1f+1 0.000124 -0.004931 -0.014467 -0.024080 0.038289 -0.000837 33O 1f-1 -0.006825 -0.008707 -0.005799 0.002159 0.009140 0.004110 33O 1f+2 -0.002009 0.007070 0.004009 0.014205 -0.003848 0.001822 33O 1f-2 -0.001494 -0.009402 0.025798 0.012068 -0.047422 -0.022455 33O 1f+3 -0.001383 -0.002823 -0.013370 0.000246 0.001299 0.010435 33O 1f-3 0.009084 0.015323 0.024069 0.017270 -0.033255 -0.015819 34O 1s -0.005215 0.000971 -0.005201 0.006906 0.003459 0.000101 34O 2s -0.017622 0.003233 -0.015801 0.023168 0.011721 0.001762 34O 3s 0.129634 -0.034592 0.081533 -0.202436 -0.057423 0.019799 34O 4s -0.230735 0.081961 0.039123 0.480920 -0.033562 -0.217785 34O 5s 0.061617 -0.129105 0.362824 0.233795 -0.549309 -0.589096 34O 1pz -0.020337 0.122116 0.179260 -0.041018 -0.031870 0.057843 34O 1px -0.117590 0.078165 0.049267 -0.084213 0.069479 0.105038 34O 1py -0.089665 0.123308 0.160289 -0.079032 0.002190 -0.002369 34O 2pz 0.051041 -0.184790 -0.266809 0.053206 0.114184 -0.139934 34O 2px 0.070147 -0.048927 0.012634 0.324166 -0.222316 -0.375198 34O 2py 0.171843 -0.190946 -0.300723 0.117263 0.069994 -0.012278 34O 3pz 0.243586 0.189707 -0.001220 0.060743 0.049447 -0.118508 34O 3px -0.049578 0.050800 0.105409 0.199531 -0.117626 -0.304375 34O 3py -0.264432 0.227785 0.161755 -0.346278 0.148728 0.048033 34O 1dz2 -0.002195 0.001078 0.001032 -0.002003 0.000761 0.006879 34O 1dxz -0.000057 0.000634 -0.003325 -0.000202 -0.000896 -0.000550 34O 1dyz 0.004305 -0.000736 0.002516 -0.004247 0.001136 0.004511 34O 1dx2y2 0.008840 -0.007061 -0.003229 0.007521 -0.005872 -0.009786 34O 1dxy 0.003402 -0.001226 -0.000335 -0.003551 0.002366 0.004869 34O 2dz2 0.003407 0.007930 -0.009118 -0.023442 0.004374 0.030483 34O 2dxz 0.110853 -0.006393 -0.045263 0.008041 0.034653 -0.050256 34O 2dyz 0.043304 -0.033164 0.040152 -0.046366 0.012102 0.082356 34O 2dx2y2 0.076928 -0.027376 -0.012565 0.094967 -0.043068 -0.078254 34O 2dxy -0.069154 0.093113 -0.032827 -0.016794 0.020120 -0.062817 34O 1f0 0.004736 -0.007340 -0.008427 0.004542 -0.018235 0.017976 34O 1f+1 0.000923 -0.004062 -0.010878 -0.005366 0.004431 0.008393 34O 1f-1 0.004028 -0.001354 0.003317 0.001371 -0.007441 0.004813 34O 1f+2 0.012931 -0.001974 0.010933 -0.003719 0.021238 -0.017304 34O 1f-2 -0.005553 0.004224 -0.006950 -0.000812 -0.012416 0.005922 34O 1f+3 0.009659 -0.009745 0.001830 -0.003373 -0.019370 0.020913 34O 1f-3 -0.000929 -0.002824 -0.005336 0.014188 -0.025868 -0.006383 35O 1s -0.000128 -0.007313 0.001259 0.004608 -0.001611 -0.006810 35O 2s 0.000953 -0.024859 0.003600 0.015281 -0.004863 -0.022346 35O 3s -0.015871 0.181661 -0.007289 -0.153817 0.027020 0.113071 35O 4s 0.167218 -0.322246 -0.089214 0.450286 -0.003995 0.081204 35O 5s -0.417277 0.318323 -0.510160 0.470036 0.057247 0.400204 35O 1pz 0.030870 0.081142 0.103900 0.105051 -0.021659 -0.065641 35O 1px 0.025795 -0.107285 0.086719 -0.063288 -0.037728 -0.115594 35O 1py -0.113904 -0.069559 -0.210106 -0.105949 0.067570 0.056089 35O 2pz -0.062938 -0.133824 -0.218173 -0.164901 0.096684 0.141879 35O 2px -0.069044 0.066372 -0.245481 0.319598 0.108244 0.338830 35O 2py 0.151892 0.078674 0.256057 0.289268 -0.183769 -0.018015 35O 3pz 0.346915 0.207280 0.258922 0.215025 0.063710 0.121618 35O 3px 0.138753 -0.090576 0.016915 0.154123 -0.013144 0.091163 35O 3py -0.056065 0.118726 0.073596 0.081342 -0.144220 0.025432 35O 1dz2 -0.005464 -0.007432 -0.002776 -0.006207 -0.001026 -0.002811 35O 1dxz -0.003123 -0.003352 -0.002624 -0.002080 -0.000060 0.001729 35O 1dyz -0.005725 -0.004526 -0.001815 0.006024 -0.000273 -0.001692 35O 1dx2y2 -0.002280 0.006389 -0.000384 0.002870 -0.000188 0.006664 35O 1dxy -0.004721 0.006016 0.003997 0.005805 -0.002124 0.000807 35O 2dz2 -0.088318 -0.084217 -0.024976 -0.074483 0.001315 -0.005273 35O 2dxz 0.044065 0.088923 -0.052879 -0.036334 0.058762 0.041818 35O 2dyz -0.113209 -0.001313 -0.023351 0.056316 0.000075 -0.038618 35O 2dx2y2 0.031026 -0.024136 -0.028241 0.008747 0.061857 0.127426 35O 2dxy -0.046752 0.105288 0.025501 0.090412 -0.054795 -0.031548 35O 1f0 -0.003723 -0.002906 -0.003566 -0.010023 -0.010229 0.000678 35O 1f+1 0.008906 0.015060 -0.005301 -0.007071 0.009200 -0.000189 35O 1f-1 -0.010362 -0.006404 -0.000425 -0.001198 0.013836 -0.007462 35O 1f+2 -0.004516 -0.002042 0.003133 0.001241 0.017510 0.000320 35O 1f-2 0.004091 0.006484 -0.001679 0.007470 0.008533 0.009226 35O 1f+3 -0.001446 0.003567 -0.009571 -0.008239 -0.037414 0.018477 35O 1f-3 0.008043 0.003909 0.011883 -0.007061 0.010496 -0.013402 480 481 482 483 484 485 2.93864 2.94831 2.97994 2.98458 2.99768 3.00152 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s 0.000152 -0.003856 -0.001541 -0.000315 0.001054 0.000081 0Rh 2s -0.000746 0.030420 0.008413 0.002148 -0.010864 0.001708 0Rh 3s 0.000449 -0.004378 -0.004043 -0.000564 -0.000361 0.001525 0Rh 4s 0.004035 -0.160146 -0.045524 -0.011349 0.056250 -0.008371 0Rh 5s -0.007640 0.317302 0.090503 0.021429 -0.107678 0.017697 0Rh 6s 0.006828 -0.207090 -0.092102 -0.009901 0.025247 0.001535 0Rh 7s -0.032848 -0.020013 0.505399 -0.035309 0.156894 -0.163316 0Rh 8s -0.046304 -0.126545 0.244069 0.014797 0.379308 -0.036570 0Rh 1pz -0.003796 0.000261 -0.002867 0.000028 0.000666 -0.000576 0Rh 1px -0.002666 -0.001636 0.003612 -0.000637 0.002363 -0.003422 0Rh 1py 0.002907 -0.003583 0.000792 0.000108 0.001223 -0.000771 0Rh 2pz 0.014409 -0.001113 0.009963 0.000147 -0.001997 0.002147 0Rh 2px 0.009811 0.006225 -0.012458 0.002344 -0.009454 0.012176 0Rh 2py -0.010291 0.013563 -0.002650 -0.000052 -0.004901 0.003362 0Rh 3pz -0.029324 0.004730 -0.000826 -0.005955 -0.007055 -0.003603 0Rh 3px -0.013271 -0.012036 -0.001938 -0.003003 0.027719 -0.006691 0Rh 3py 0.005554 -0.026016 -0.002289 -0.007814 0.015206 -0.015483 0Rh 4pz 0.020456 -0.011810 -0.072894 0.027945 0.045927 0.000255 0Rh 4px -0.017178 -0.000084 0.109521 -0.005467 -0.039258 -0.068651 0Rh 4py 0.052115 0.007510 0.031737 0.037830 -0.029025 0.040004 0Rh 5pz -0.044146 0.019880 0.160450 -0.073844 -0.089465 -0.005188 0Rh 5px 0.042064 0.028326 -0.262748 0.013446 0.033802 0.165557 0Rh 5py -0.100680 -0.009560 -0.073073 -0.090199 0.060290 -0.072507 0Rh 6pz 0.083766 0.193793 -0.768189 0.377607 -0.149051 0.169490 0Rh 6px -0.240642 -0.196145 1.404340 0.068944 0.328401 -0.734683 0Rh 6py 0.200030 0.402836 0.317128 -0.047218 -0.178108 0.225384 0Rh 1dz2 0.001683 -0.001713 -0.009648 0.010060 0.003708 -0.001176 0Rh 1dxz -0.002446 0.002841 0.000372 -0.007565 0.001230 0.009630 0Rh 1dyz 0.003673 -0.004234 0.001830 0.028929 -0.000296 0.005311 0Rh 1dx2y2 0.005721 0.002221 0.013762 0.002646 -0.008835 0.005122 0Rh 1dxy -0.012023 -0.005240 0.001066 0.003385 0.000996 -0.009289 0Rh 2dz2 0.000143 0.000587 0.002187 0.000265 0.001642 -0.002133 0Rh 2dxz -0.002106 0.001412 0.004152 -0.000842 0.001806 -0.001011 0Rh 2dyz -0.000984 -0.000064 0.000594 0.001818 0.000214 -0.000666 0Rh 2dx2y2 0.000367 -0.001113 -0.005156 -0.000415 -0.003579 0.003922 0Rh 2dxy -0.001453 -0.000720 -0.002755 -0.000514 -0.001056 -0.000511 0Rh 3dz2 -0.005657 0.002699 0.019981 -0.032002 -0.018850 0.013303 0Rh 3dxz 0.016943 -0.014835 -0.019877 0.027140 -0.011951 -0.025373 0Rh 3dyz -0.006752 0.013202 -0.008293 -0.096919 -0.000045 -0.013367 0Rh 3dx2y2 -0.019158 -0.002133 -0.019263 -0.006269 0.043455 -0.033537 0Rh 3dxy 0.043492 0.019194 0.009137 -0.007942 0.001684 0.031213 0Rh 4dz2 0.001917 0.005351 0.018635 0.009194 0.025292 -0.031379 0Rh 4dxz -0.032544 0.018698 0.057599 -0.019238 0.024943 -0.001770 0Rh 4dyz -0.011589 -0.003615 0.009420 0.043857 0.002292 -0.004457 0Rh 4dx2y2 0.009933 -0.008049 -0.055276 -0.003945 -0.056622 0.059491 0Rh 4dxy -0.033961 -0.012891 -0.037024 -0.007328 -0.012829 -0.019627 0Rh 5dz2 0.003354 -0.014437 -0.070239 0.142872 0.026231 0.037333 0Rh 5dxz 0.088015 0.023047 -0.060815 -0.024726 0.021018 0.046780 0Rh 5dyz 0.072703 -0.050593 0.008850 0.322737 0.005855 0.038373 0Rh 5dx2y2 0.056189 -0.027384 0.137353 0.049825 -0.048510 -0.052201 0Rh 5dxy -0.000022 -0.051339 0.059152 0.108515 0.001428 0.001644 0Rh 1f0 -0.030569 0.014355 -0.011162 0.014507 0.011235 0.001951 0Rh 1f+1 0.010005 0.001021 0.013752 -0.004443 -0.018687 -0.001391 0Rh 1f-1 0.030641 0.008966 0.011487 0.023150 -0.012631 0.005266 0Rh 1f+2 -0.054826 -0.001737 -0.002551 0.000840 -0.017955 -0.002844 0Rh 1f-2 -0.025585 0.014125 -0.000421 -0.025161 -0.015601 -0.004228 0Rh 1f+3 0.038021 -0.016514 0.022188 0.003010 -0.022335 0.002451 0Rh 1f-3 -0.016388 -0.000240 0.007595 0.013338 -0.019899 -0.002788 1Rh 1s -0.000108 -0.003859 0.001540 -0.000376 0.001059 -0.000173 1Rh 2s 0.000411 0.030486 -0.008400 0.002456 -0.011100 -0.000716 1Rh 3s -0.000389 -0.004358 0.004043 -0.000738 -0.000479 -0.001471 1Rh 4s -0.002269 -0.160489 0.045452 -0.013023 0.057442 0.003228 1Rh 5s 0.004193 0.318059 -0.090302 0.024718 -0.110178 -0.007638 1Rh 6s -0.004757 -0.207700 0.091633 -0.013271 0.025891 -0.005027 1Rh 7s 0.033712 -0.020633 -0.504836 -0.016825 0.175720 0.152753 1Rh 8s 0.048020 -0.123764 -0.241374 0.023852 0.378625 0.004390 1Rh 1pz -0.003854 -0.000436 -0.002828 0.000058 -0.000680 -0.000362 1Rh 1px -0.002710 0.001669 0.003613 0.000427 -0.002613 -0.003221 1Rh 1py 0.002833 0.003526 0.000760 -0.000123 -0.001301 -0.000717 1Rh 2pz 0.014628 0.001733 0.009802 -0.000437 0.002067 0.001404 1Rh 2px 0.009978 -0.006356 -0.012460 -0.001603 0.010335 0.011377 1Rh 2py -0.010014 -0.013338 -0.002532 0.000120 0.005229 0.003142 1Rh 3pz -0.029704 -0.005064 -0.000255 0.005792 0.006628 -0.003611 1Rh 3px -0.013577 0.012429 -0.001914 0.002800 -0.028019 -0.004462 1Rh 3py 0.005048 0.025347 -0.002416 0.007555 -0.016495 -0.014723 1Rh 4pz 0.020367 0.008642 -0.074220 -0.024908 -0.044574 0.006434 1Rh 4px -0.017222 -0.000513 0.109391 0.000425 0.033523 -0.071439 1Rh 4py 0.052181 -0.006140 0.031319 -0.037442 0.031933 0.038408 1Rh 5pz -0.043835 -0.013561 0.163490 0.066872 0.086475 -0.019720 1Rh 5px 0.042572 -0.027706 -0.262197 -0.001380 -0.020461 0.167126 1Rh 5py -0.100686 0.006345 -0.072219 0.090265 -0.065247 -0.069507 1Rh 6pz 0.094046 -0.213244 -0.773976 -0.343243 0.171999 0.204853 1Rh 6px -0.238907 0.200184 1.397639 -0.131227 -0.380899 -0.693635 1Rh 6py 0.196562 -0.395348 0.337668 0.044936 0.193260 0.218939 1Rh 1dz2 -0.001706 -0.001548 0.010122 0.009911 0.003724 0.000797 1Rh 1dxz 0.002571 0.002092 -0.000629 -0.007635 0.000620 -0.009312 1Rh 1dyz -0.004284 -0.004373 -0.000970 0.028696 -0.000686 -0.005427 1Rh 1dx2y2 -0.005725 0.001971 -0.013854 0.003011 -0.008998 -0.004446 1Rh 1dxy 0.011876 -0.005143 -0.000776 0.003849 0.001817 0.009369 1Rh 2dz2 -0.000123 0.000592 -0.002166 0.000405 0.001805 0.001982 1Rh 2dxz 0.002098 0.001336 -0.004175 -0.000661 0.001905 0.000908 1Rh 2dyz 0.000955 -0.000046 -0.000539 0.001862 0.000247 0.000634 1Rh 2dx2y2 -0.000333 -0.001117 0.005130 -0.000644 -0.003875 -0.003590 1Rh 2dxy 0.001462 -0.000629 0.002755 -0.000585 -0.001017 0.000617 1Rh 3dz2 0.005630 0.002171 -0.021532 -0.032174 -0.019635 -0.011451 1Rh 3dxz -0.017295 -0.012188 0.020774 0.026537 -0.010503 0.024855 1Rh 3dyz 0.008742 0.013543 0.005414 -0.096398 0.001008 0.013873 1Rh 3dx2y2 0.019019 -0.001350 0.019669 -0.006366 0.045288 0.029950 1Rh 3dxy -0.043087 0.018483 -0.010024 -0.009059 -0.001047 -0.031940 1Rh 4dz2 -0.001538 0.005614 -0.018004 0.010974 0.027566 0.029037 1Rh 4dxz 0.032607 0.016821 -0.058179 -0.016803 0.025490 0.000778 1Rh 4dyz 0.010831 -0.003463 -0.008173 0.044222 0.002395 0.003957 1Rh 4dx2y2 -0.009476 -0.008347 0.054778 -0.006690 -0.060765 -0.054387 1Rh 4dxy 0.034021 -0.011458 0.037193 -0.007747 -0.011183 0.021141 1Rh 5dz2 -0.006365 -0.013758 0.075472 0.139783 0.023571 -0.040160 1Rh 5dxz -0.087481 0.020879 0.060058 -0.028537 0.018318 -0.047252 1Rh 5dyz -0.079521 -0.051761 0.001558 0.321130 0.003712 -0.040207 1Rh 5dx2y2 -0.057181 -0.027944 -0.136711 0.055062 -0.044855 0.054873 1Rh 5dxy -0.002433 -0.055119 -0.054858 0.112090 0.001346 -0.001581 1Rh 1f0 -0.029997 -0.013406 -0.011420 -0.014696 -0.011155 0.003479 1Rh 1f+1 0.009870 -0.000326 0.013975 0.003979 0.018327 -0.002278 1Rh 1f-1 0.031274 -0.006472 0.010847 -0.023686 0.012519 0.004433 1Rh 1f+2 -0.054647 0.000678 -0.002556 -0.001480 0.017930 -0.004430 1Rh 1f-2 -0.026003 -0.013116 0.000635 0.024312 0.015191 -0.005413 1Rh 1f+3 0.037792 0.016467 0.021766 -0.003151 0.022277 0.000580 1Rh 1f-3 -0.016061 0.000591 0.007349 -0.014086 0.019500 -0.003934 2C 1s -0.000370 -0.004209 0.003699 0.018106 0.018527 0.002287 2C 2s -0.002050 -0.008611 0.012338 0.048986 0.050754 0.006203 2C 3s 0.244867 -0.132294 -0.216104 -0.004554 0.138836 0.074545 2C 4s -1.097153 0.935437 0.945277 -0.883801 -1.833177 -0.455733 2C 5s -1.085247 -1.189054 -0.371860 2.592177 2.805746 0.147339 2C 1pz 0.055161 -0.055182 -0.042140 0.030233 0.036055 0.037082 2C 1px 0.008715 -0.043937 -0.007531 0.027956 0.009528 0.005345 2C 1py 0.094255 -0.060552 -0.041043 0.023571 0.018720 -0.017425 2C 2pz -0.369571 -0.045186 0.781689 0.717591 0.261162 -0.135516 2C 2px -0.042416 0.114667 -0.004757 -0.056375 -0.075577 -0.049387 2C 2py -0.669033 0.499986 0.444560 0.406146 0.056722 0.045351 2C 3pz -0.279643 -0.255324 0.007244 0.500324 0.416144 -0.057359 2C 3px -0.090042 -0.087366 -0.140714 -0.012460 0.044906 0.105208 2C 3py -0.296177 -0.104214 -0.067305 0.307723 0.295048 -0.021780 2C 1dz2 -0.024231 0.020884 0.008784 -0.015374 0.019890 0.103019 2C 1dxz 0.048062 -0.049465 -0.022851 0.012955 -0.021050 -0.072789 2C 1dyz 0.014959 -0.066531 0.007121 0.065868 -0.002513 -0.072443 2C 1dx2y2 -0.029263 -0.105175 0.031366 0.093833 -0.030237 -0.097603 2C 1dxy -0.140643 -0.009414 0.032130 0.055868 -0.009921 0.045096 2C 2dz2 -0.050329 -0.056573 0.187788 0.258551 0.113699 -0.049813 2C 2dxz -0.271868 0.278892 0.232344 0.187811 0.093317 0.078883 2C 2dyz -0.236690 0.124188 0.112831 0.159206 0.062239 0.071059 2C 2dx2y2 -0.025235 0.226696 -0.301822 -0.369979 -0.141926 0.194332 2C 2dxy 0.354200 -0.364200 0.078755 0.046007 0.038957 -0.212712 2C 1f0 -0.070189 0.112010 -0.068865 -0.060092 -0.017233 0.041723 2C 1f+1 0.019461 0.067379 0.065545 0.067590 0.049940 -0.061743 2C 1f-1 -0.019911 -0.060829 -0.027948 0.088273 -0.012676 -0.028204 2C 1f+2 -0.035733 0.083601 -0.024795 0.005595 0.012112 -0.036964 2C 1f-2 -0.061815 -0.021988 0.131630 0.041812 0.006460 -0.005451 2C 1f+3 0.001286 -0.111951 0.098199 0.146865 0.113570 0.049608 2C 1f-3 0.039547 -0.002646 -0.004587 0.011801 0.046544 0.056483 3C 1s 0.002444 -0.000166 -0.001032 -0.017641 0.019689 0.010211 3C 2s 0.010815 0.002920 -0.000656 -0.046690 0.053862 0.028719 3C 3s -0.409609 -0.226951 -0.286337 -0.078464 0.162984 -0.124433 3C 4s 2.158645 1.253081 1.507518 1.283497 -2.048228 -0.024698 3C 5s -0.990371 -0.379666 -0.362626 -2.590467 2.879626 0.835770 3C 1pz -0.097330 -0.053120 -0.063287 -0.017541 0.035239 -0.042064 3C 1px -0.070647 -0.045736 -0.036632 -0.042172 0.017887 -0.005997 3C 1py 0.084369 0.082202 0.070447 0.072816 -0.034167 0.007077 3C 2pz 1.316548 0.640747 0.556502 -0.265200 0.018628 0.384500 3C 2px 0.699314 0.377347 0.148983 0.088853 -0.098132 0.086607 3C 2py -1.038082 -0.422247 -0.737436 0.499962 -0.220069 -0.623715 3C 3pz -0.037111 0.023949 0.071483 -0.309853 0.283197 0.039741 3C 3px 0.000844 0.023842 -0.114704 -0.164248 0.088163 0.136782 3C 3py 0.208426 0.086415 -0.017012 0.452217 -0.419542 -0.143045 3C 1dz2 -0.116850 0.010870 -0.054451 0.073056 0.058444 -0.078192 3C 1dxz 0.059215 0.042036 -0.030752 0.027930 -0.008760 0.039323 3C 1dyz -0.034703 0.000654 -0.021269 0.050041 -0.014856 -0.044219 3C 1dx2y2 0.042115 0.015445 0.055707 -0.007904 -0.004782 -0.011445 3C 1dxy 0.101852 0.053256 -0.002892 0.013757 -0.032973 0.057932 3C 2dz2 0.342476 0.193159 0.010103 0.028563 -0.104841 0.016939 3C 2dxz -0.096220 -0.131514 0.317396 -0.314257 0.227315 -0.002273 3C 2dyz -0.103176 0.040165 -0.046339 0.133271 -0.019842 -0.202926 3C 2dx2y2 -0.654399 -0.339533 -0.261502 0.206879 -0.101285 -0.214447 3C 2dxy -0.635176 -0.323869 -0.155913 0.048903 -0.002120 -0.130767 3C 1f0 -0.034035 0.076110 -0.036136 0.170616 -0.050717 -0.127102 3C 1f+1 -0.006873 -0.008116 -0.019891 -0.002392 -0.002249 0.041178 3C 1f-1 0.120883 0.109266 0.085203 0.049182 -0.012354 -0.022819 3C 1f+2 -0.028325 -0.012330 0.060894 -0.072926 0.105247 0.010431 3C 1f-2 0.015986 0.068008 -0.113302 0.087548 -0.019832 -0.059386 3C 1f+3 0.052188 0.024245 0.050624 -0.068428 0.072693 -0.025199 3C 1f-3 -0.089175 -0.090696 0.089496 -0.016365 -0.003030 0.010468 4C 1s 0.000078 -0.011833 -0.000678 0.008453 -0.000455 -0.000452 4C 2s 0.002417 -0.037609 -0.003553 0.029440 0.003279 -0.000711 4C 3s -0.552942 -0.077121 0.128708 -0.200209 -0.514869 -0.220026 4C 4s 2.460512 1.147706 -0.685126 0.099676 2.420841 0.976632 4C 5s 1.451520 1.284250 0.088077 -1.130360 -0.815046 0.427187 4C 1pz 0.000076 -0.066524 -0.085843 0.043600 0.095975 0.015750 4C 1px -0.010751 0.020749 0.066050 -0.065288 -0.023662 -0.031153 4C 1py -0.018837 -0.027863 -0.033894 0.003469 0.047716 -0.005018 4C 2pz 0.005425 0.909802 0.742988 0.157814 0.237085 0.187467 4C 2px 0.072135 0.101409 0.344129 0.479535 0.195508 -0.203691 4C 2py 0.085273 0.584162 0.580258 0.254493 0.211297 0.025540 4C 3pz -0.569195 -0.355372 -0.227731 1.446315 1.411768 0.087622 4C 3px -0.001195 0.143980 -0.143882 0.314967 0.205066 -0.083624 4C 3py -0.242133 -0.300622 -0.098185 0.998593 0.871609 0.173158 4C 1dz2 0.137354 -0.290007 0.176907 0.189677 0.145831 -0.008582 4C 1dxz 0.216751 0.061942 -0.224273 -0.087238 -0.028268 -0.038255 4C 1dyz -0.115220 0.002675 0.005569 0.220930 0.024861 -0.095792 4C 1dx2y2 0.040590 -0.192170 -0.117683 0.001072 -0.193314 -0.250603 4C 1dxy -0.207760 -0.209453 0.005236 0.030831 0.068495 0.255888 4C 2dz2 -0.038216 0.150000 -0.585081 -0.407884 -0.162576 0.116246 4C 2dxz -0.228830 -0.474621 0.412180 0.225378 -0.073188 -0.305450 4C 2dyz 0.441310 -0.090449 -0.193428 -0.265691 0.225566 0.198582 4C 2dx2y2 0.260315 0.477169 0.355542 0.150345 0.512135 0.327362 4C 2dxy 0.225986 0.577463 0.137901 0.061228 0.100557 -0.328574 4C 1f0 0.001491 -0.029340 -0.067995 -0.002043 -0.078202 -0.128620 4C 1f+1 -0.172652 -0.197897 0.060678 0.091068 -0.068348 -0.013696 4C 1f-1 -0.013515 -0.041002 -0.036112 0.022112 0.038995 0.081519 4C 1f+2 0.048417 0.156536 -0.056016 -0.061713 0.062444 0.091846 4C 1f-2 0.016410 -0.010992 0.047860 0.059963 0.013699 -0.123274 4C 1f+3 0.090479 0.002639 -0.096296 -0.010635 -0.045369 -0.096678 4C 1f-3 -0.103441 -0.098088 -0.081335 0.008079 -0.098632 -0.027451 5C 1s -0.003639 -0.009691 -0.001056 -0.011128 -0.000194 0.003272 5C 2s -0.015596 -0.030900 -0.006127 -0.038104 0.004248 0.009354 5C 3s 0.191275 -0.043273 0.376182 0.219134 -0.525576 0.321407 5C 4s -0.918830 0.731271 -1.681853 -0.027251 2.469846 -1.781847 5C 5s 0.528052 0.812773 -0.310259 1.259397 -0.851258 -1.220798 5C 1pz -0.074233 -0.050777 -0.063369 -0.039024 0.070591 0.034515 5C 1px -0.053630 -0.011709 0.052819 0.024592 -0.010654 -0.059476 5C 1py 0.159839 0.081029 0.080635 0.049502 -0.106219 -0.044831 5C 2pz 1.037152 0.757052 0.329107 0.134429 -0.000555 0.037629 5C 2px 0.630202 0.370573 0.399356 -0.145888 0.396320 -0.165114 5C 2py -1.836475 -1.217528 -0.628158 -0.105397 -0.099792 -0.026005 5C 3pz -0.271855 0.039000 -0.141033 -0.844330 0.787389 0.123183 5C 3px -0.232356 -0.012345 -0.260100 -0.379529 0.513837 -0.245885 5C 3py 0.495955 -0.235676 0.201501 1.453504 -1.384530 0.000455 5C 1dz2 0.246675 0.315754 -0.010938 0.221533 0.033124 -0.242010 5C 1dxz 0.263602 0.088888 0.038080 -0.134013 0.082496 0.268800 5C 1dyz -0.138912 0.018725 -0.161516 0.273332 -0.086770 -0.171424 5C 1dx2y2 0.103811 0.084913 -0.023138 0.104726 -0.173446 0.081893 5C 1dxy -0.001301 -0.072610 0.259063 -0.108493 0.028296 0.112366 5C 2dz2 -0.361848 -0.593191 0.057917 -0.289560 -0.301535 0.541071 5C 2dxz -0.383600 -0.300841 -0.023464 0.195549 -0.219210 -0.307661 5C 2dyz 0.385943 -0.061406 0.580825 -0.336719 -0.131182 0.319619 5C 2dx2y2 0.572700 0.463227 0.365482 -0.110767 0.379092 -0.317329 5C 2dxy 0.527851 0.463316 -0.453308 0.262859 -0.278380 0.090963 5C 1f0 0.041155 -0.044397 0.133348 -0.068343 -0.026438 0.127513 5C 1f+1 -0.043285 -0.054838 -0.048405 0.011730 -0.072061 0.020871 5C 1f-1 -0.008990 0.030650 0.018833 0.012806 0.016007 -0.102391 5C 1f+2 -0.024555 0.012335 -0.004255 0.058236 -0.033656 -0.051074 5C 1f-2 0.087374 0.122552 -0.118463 0.085329 0.013810 0.019830 5C 1f+3 0.010685 -0.132631 0.063364 -0.135026 -0.054257 0.186275 5C 1f-3 0.053967 0.120387 0.001871 0.041360 0.116017 -0.055800 6C 1s 0.003833 -0.009553 0.000730 -0.011225 -0.000494 -0.003193 6C 2s 0.016189 -0.030255 0.005020 -0.038430 0.003294 -0.009491 6C 3s -0.188520 -0.075905 -0.371751 0.223005 -0.542009 -0.280716 6C 4s 0.888238 0.877324 1.691654 -0.031744 2.568995 1.585363 6C 5s -0.552126 0.866244 0.342864 1.259953 -0.759892 1.279449 6C 1pz -0.073201 0.048674 -0.062733 0.040459 -0.066540 0.040412 6C 1px -0.052330 0.010630 0.052417 -0.029857 0.007176 -0.060953 6C 1py 0.158096 -0.076583 0.079735 -0.050458 0.100191 -0.053437 6C 2pz 1.027842 -0.731964 0.329876 -0.126165 -0.007045 0.032942 6C 2px 0.623249 -0.353274 0.400290 0.150700 -0.423890 -0.114823 6C 2py -1.820962 1.173171 -0.631160 0.092183 0.117815 -0.030716 6C 3pz -0.286345 -0.040220 -0.115508 0.847072 -0.769618 0.176084 6C 3px -0.234670 0.011075 -0.248543 0.384361 -0.527244 -0.188035 6C 3py 0.520237 0.234135 0.159307 -1.451415 1.374893 -0.100574 6C 1dz2 -0.251913 0.310300 0.016459 0.224231 0.054208 0.228748 6C 1dxz -0.262339 0.092349 -0.039759 -0.138028 0.058920 -0.258055 6C 1dyz 0.134361 0.027025 0.169667 0.273903 -0.075101 0.177319 6C 1dx2y2 -0.104674 0.076774 0.025688 0.104988 -0.179555 -0.066467 6C 1dxy 0.003369 -0.070159 -0.258212 -0.101945 0.020418 -0.102825 6C 2dz2 0.371102 -0.594133 -0.064410 -0.294660 -0.346265 -0.499028 6C 2dxz 0.373739 -0.304135 0.025932 0.205187 -0.191968 0.298626 6C 2dyz -0.374275 -0.093368 -0.591062 -0.332874 -0.145277 -0.313113 6C 2dx2y2 -0.565681 0.454889 -0.367507 -0.108851 0.413300 0.279211 6C 2dxy -0.530573 0.447618 0.449896 0.241855 -0.285620 -0.072864 6C 1f0 0.039844 0.045820 0.134402 0.066431 0.035825 0.119488 6C 1f+1 -0.043798 0.058862 -0.046979 -0.010436 0.073910 0.019940 6C 1f-1 -0.009139 -0.028909 0.018741 -0.015253 -0.025138 -0.096301 6C 1f+2 -0.024893 -0.009985 -0.005514 -0.058163 0.028778 -0.049888 6C 1f-2 0.089850 -0.125748 -0.121318 -0.082050 -0.010558 0.016456 6C 1f+3 0.007953 0.134985 0.066678 0.136689 0.069247 0.175604 6C 1f-3 0.056390 -0.124356 0.000336 -0.041988 -0.119348 -0.047354 7C 1s -0.000010 -0.011636 0.001020 0.008360 -0.000421 0.000379 7C 2s -0.002178 -0.036761 0.004753 0.028981 0.003249 0.000057 7C 3s 0.551705 -0.090638 -0.140217 -0.178344 -0.486232 0.261396 7C 4s -2.453485 1.211849 0.706297 0.000376 2.288466 -1.163053 7C 5s -1.451813 1.257548 -0.133334 -1.141926 -0.859129 -0.342137 7C 1pz -0.002991 0.057245 -0.088206 -0.037447 -0.092420 0.026079 7C 1px -0.011144 -0.021604 0.068315 0.063538 0.021849 -0.035054 7C 1py -0.020967 0.022896 -0.034872 -0.000424 -0.046700 -0.000260 7C 2pz 0.045001 -0.809737 0.742686 -0.207150 -0.241237 0.184542 7C 2px 0.077582 -0.086694 0.329071 -0.499283 -0.219251 -0.158644 7C 2py 0.111023 -0.523307 0.578387 -0.293886 -0.224295 0.039496 7C 3pz -0.547905 0.322254 -0.284197 -1.427083 -1.392423 0.205599 7C 3px 0.003536 -0.147821 -0.148570 -0.308436 -0.210883 -0.049045 7C 3py -0.228110 0.287877 -0.133794 -0.991722 -0.855770 0.250869 7C 1dz2 -0.141148 -0.282749 -0.168796 0.190254 0.145553 -0.007653 7C 1dxz -0.217034 0.059679 0.218831 -0.096842 -0.026605 0.047515 7C 1dyz 0.115233 -0.007038 0.001217 0.226638 0.035845 0.093105 7C 1dx2y2 -0.039478 -0.187022 0.114266 0.000707 -0.171422 0.268605 7C 1dxy 0.204848 -0.203083 -0.000973 0.025376 0.045845 -0.264639 7C 2dz2 0.055316 0.166060 0.568218 -0.429849 -0.180323 -0.089344 7C 2dxz 0.239133 -0.447627 -0.400080 0.238744 -0.050227 0.282283 7C 2dyz -0.435473 -0.053844 0.191021 -0.294287 0.196455 -0.219607 7C 2dx2y2 -0.276458 0.452733 -0.344913 0.156356 0.481582 -0.365961 7C 2dxy -0.221222 0.564355 -0.143747 0.076748 0.131409 0.315239 7C 1f0 0.000648 0.029098 -0.067310 0.001951 0.066722 -0.137028 7C 1f+1 -0.173114 0.195734 0.057438 -0.095420 0.064594 -0.014506 7C 1f-1 -0.013207 0.038752 -0.037406 -0.018875 -0.031436 0.084707 7C 1f+2 0.048925 -0.154862 -0.054027 0.066204 -0.053078 0.095525 7C 1f-2 0.014161 0.011905 0.046353 -0.063631 -0.024272 -0.120816 7C 1f+3 0.090567 -0.000799 -0.094635 0.011846 0.036505 -0.102082 7C 1f-3 -0.104976 0.098096 -0.080656 -0.006968 0.096370 -0.035897 8C 1s -0.002346 -0.000051 0.000462 -0.017981 0.018741 -0.011739 8C 2s -0.010545 0.003090 -0.000880 -0.047628 0.051260 -0.032903 8C 3s 0.404709 -0.205046 0.286286 -0.078239 0.165281 0.111872 8C 4s -2.133796 1.133552 -1.478232 1.297976 -1.997956 0.183923 8C 5s 1.023249 -0.387337 0.291413 -2.603845 2.795385 -1.051189 8C 1pz -0.096965 0.048396 -0.063050 0.017321 -0.036918 -0.038655 8C 1px -0.070878 0.043299 -0.034938 0.043419 -0.017277 -0.003760 8C 1py 0.083532 -0.075805 0.068796 -0.073379 0.032644 0.005386 8C 2pz 1.303011 -0.592623 0.566047 0.274185 -0.002884 0.382717 8C 2px 0.696287 -0.348954 0.150582 -0.083858 0.096838 0.086494 8C 2py -1.015573 0.373699 -0.758292 -0.514616 0.187701 -0.638610 8C 3pz -0.042274 -0.016784 0.079737 0.308680 -0.280404 0.061961 8C 3px -0.004024 -0.021130 -0.110489 0.166711 -0.075212 0.135271 8C 3py 0.216463 -0.094703 -0.030551 -0.452173 0.407065 -0.176105 8C 1dz2 0.114842 0.014709 0.056883 0.075208 0.063030 0.070667 8C 1dxz -0.063027 0.043869 0.031140 0.027105 -0.013207 -0.034686 8C 1dyz 0.032615 0.002581 0.022913 0.050885 -0.012035 0.044598 8C 1dx2y2 -0.039661 0.010249 -0.056947 -0.007990 -0.002366 0.007911 8C 1dxy -0.103820 0.054800 0.004015 0.013321 -0.037303 -0.046761 8C 2dz2 -0.342509 0.184173 -0.012640 0.024166 -0.101955 -0.005750 8C 2dxz 0.116023 -0.140057 -0.321749 -0.311001 0.232352 -0.019425 8C 2dyz 0.102974 0.045020 0.051764 0.139190 -0.004446 0.203578 8C 2dx2y2 0.642288 -0.312900 0.271444 0.215674 -0.092327 0.223177 8C 2dxy 0.638041 -0.309479 0.160381 0.053181 0.001997 0.127523 8C 1f0 -0.031183 -0.076461 -0.041045 -0.173708 0.040781 -0.127739 8C 1f+1 -0.006329 0.006167 -0.020049 0.005845 0.004676 0.038305 8C 1f-1 0.121142 -0.104639 0.082372 -0.052086 0.008536 -0.024987 8C 1f+2 -0.028675 0.009006 0.061869 0.070749 -0.103831 0.015285 8C 1f-2 0.018061 -0.066935 -0.114440 -0.084672 0.014953 -0.055997 8C 1f+3 0.051205 -0.022325 0.052722 0.069033 -0.076754 -0.016616 8C 1f-3 -0.089486 0.089439 0.088654 0.014410 0.002469 0.009172 9C 1s 0.000329 -0.004210 -0.002989 0.018029 0.018290 -0.004046 9C 2s 0.001871 -0.008835 -0.010444 0.048930 0.050165 -0.010998 9C 3s -0.236579 -0.108838 0.219298 -0.024119 0.124750 -0.087617 9C 4s 1.050689 0.804314 -0.996991 -0.778018 -1.750516 0.631354 9C 5s 1.067391 -1.127663 0.476765 2.561970 2.780793 -0.397446 9C 1pz 0.052727 0.048497 -0.043930 -0.024783 -0.031349 0.041952 9C 1px 0.007321 0.043056 -0.008633 -0.027351 -0.009302 0.006460 9C 1py 0.092678 0.056593 -0.042660 -0.020086 -0.018177 -0.016699 9C 2pz -0.336794 0.111489 0.760434 -0.768299 -0.291151 -0.117538 9C 2px -0.036697 -0.101871 0.002249 0.054783 0.070041 -0.052881 9C 2py -0.650201 -0.433795 0.436249 -0.448519 -0.076055 0.051787 9C 3pz -0.272318 0.248125 -0.009970 -0.501628 -0.421129 -0.019115 9C 3px -0.086808 0.081940 -0.141761 0.021683 -0.032500 0.103510 9C 3py -0.293624 0.099521 -0.079983 -0.307628 -0.297928 0.004881 9C 1dz2 0.023676 0.022554 -0.008704 -0.017342 0.012572 -0.104600 9C 1dxz -0.046631 -0.046698 0.022978 0.010568 -0.015575 0.071307 9C 1dyz -0.014904 -0.067290 -0.004293 0.066468 0.002561 0.072384 9C 1dx2y2 0.026961 -0.107835 -0.028484 0.096743 -0.019018 0.096563 9C 1dxy 0.141762 -0.015662 -0.031795 0.061589 -0.010073 -0.047291 9C 2dz2 0.040198 -0.076953 -0.177844 0.269138 0.120708 0.042860 9C 2dxz 0.265305 0.255369 -0.228769 0.206608 0.094708 -0.088762 9C 2dyz 0.234084 0.105511 -0.112354 0.173334 0.065545 -0.077997 9C 2dx2y2 0.042679 0.246045 0.287453 -0.385902 -0.164384 -0.181358 9C 2dxy -0.356001 -0.342497 -0.068929 0.034007 0.046415 0.204836 9C 1f0 -0.070390 -0.108916 -0.066849 0.062146 0.020981 0.039366 9C 1f+1 0.020428 -0.064384 0.061658 -0.070615 -0.054693 -0.059313 9C 1f-1 -0.020583 0.062946 -0.030550 -0.089054 0.008366 -0.028148 9C 1f+2 -0.035928 -0.081880 -0.025157 -0.008110 -0.016832 -0.036003 9C 1f-2 -0.060338 0.021719 0.128847 -0.049183 -0.009049 -0.004941 9C 1f+3 0.002105 0.109889 0.091998 -0.147143 -0.108116 0.060581 9C 1f-3 0.041067 0.005389 -0.002980 -0.014266 -0.044765 0.060930 10H 1s -0.021613 0.003062 0.053153 0.023695 -0.026813 -0.040879 10H 2s 0.084581 -0.299402 0.376913 0.895486 0.775767 0.023821 10H 3s 0.040821 0.163113 0.070030 -0.271278 -0.357086 -0.096804 10H 1pz 0.086970 -0.182429 0.125600 0.301026 0.249539 -0.044589 10H 1px -0.008204 0.041017 -0.079863 -0.270560 -0.288524 -0.060238 10H 1py -0.092822 0.023873 0.068962 0.127800 0.113732 0.075757 11H 1s 0.084782 -0.041943 -0.033266 -0.072887 -0.053781 -0.054833 11H 2s 0.451616 -0.569435 -0.023696 0.527084 0.607047 -0.002966 11H 3s -0.019591 0.133320 0.010275 -0.301395 -0.409625 -0.017307 11H 1pz 0.180056 -0.284061 -0.013551 0.215129 0.203427 0.005239 11H 1px 0.042312 -0.116255 -0.009413 0.154850 0.206216 0.081129 11H 1py 0.017883 0.015332 -0.063904 -0.163365 -0.152266 0.016481 12H 1s -0.122967 0.120062 -0.019663 -0.079845 -0.038333 0.084280 12H 2s -0.172675 0.264777 -0.116340 0.466368 0.491818 0.266964 12H 3s -0.003947 0.061743 -0.000618 -0.293781 -0.366115 -0.055274 12H 1pz -0.051114 0.076748 -0.106201 -0.100616 -0.094551 0.000777 12H 1px 0.031648 0.004741 -0.071847 0.059932 0.098825 0.037705 12H 1py -0.057518 0.056654 -0.043586 0.261467 0.240210 0.059611 13H 1s 0.027439 0.033210 0.069385 0.002236 -0.024352 -0.021974 13H 2s 0.160013 -0.069810 0.201721 -0.878120 0.852502 0.322451 13H 3s 0.049861 0.083758 0.109232 0.305562 -0.370807 -0.164736 13H 1pz 0.152677 0.035005 0.055997 -0.295395 0.276881 0.165898 13H 1px 0.010863 0.028656 0.017941 0.197985 -0.243924 -0.075941 13H 1py 0.108808 0.105912 -0.067837 0.244715 -0.214366 -0.048107 14H 1s 0.161520 0.095251 0.008347 0.072015 -0.072908 0.043509 14H 2s 0.527413 0.276213 -0.265727 -0.406016 0.452920 0.240299 14H 3s 0.059455 0.034255 0.043482 0.254890 -0.381639 -0.105826 14H 1pz 0.150273 0.082227 -0.040902 -0.142786 0.143883 0.041096 14H 1px 0.087234 0.038310 -0.144332 -0.187341 0.235549 0.096902 14H 1py -0.025771 -0.031330 0.093565 -0.088318 0.091331 0.071585 15H 1s -0.115135 -0.056324 -0.028737 0.081459 -0.034967 -0.047886 15H 2s -0.653806 -0.482550 -0.265312 -0.664602 0.684446 0.264773 15H 3s 0.128318 0.070674 0.066716 0.308928 -0.437279 -0.092468 15H 1pz -0.059766 -0.008137 -0.008013 0.193486 -0.213386 -0.123823 15H 1px -0.052166 -0.059397 -0.058251 -0.056087 0.040502 0.077144 15H 1py 0.316565 0.261677 0.120286 0.312673 -0.275511 -0.127058 16H 1s 0.005833 0.019838 0.016397 -0.015116 -0.007348 0.007852 16H 2s -0.001965 -0.298621 0.059455 -0.056667 0.183595 -0.072909 16H 3s 0.023526 0.031510 -0.091462 -0.012327 -0.090676 0.040767 16H 1pz 0.010870 -0.120086 0.036911 -0.024247 0.075152 -0.027017 16H 1px 0.002582 -0.014302 -0.014560 -0.011192 0.026259 0.014992 16H 1py 0.009806 -0.015040 -0.005719 -0.000682 0.002211 -0.001718 17H 1s -0.011248 0.011921 0.012155 0.006791 -0.000483 -0.013155 17H 2s 0.012611 -0.274342 0.069094 -0.023692 0.175532 -0.012787 17H 3s 0.018331 0.022297 -0.082770 0.004304 -0.080247 0.018586 17H 1pz 0.011870 0.091229 -0.017417 0.020465 -0.066214 0.010270 17H 1px -0.013503 0.056947 -0.045163 0.002605 -0.021410 0.005120 17H 1py -0.001660 -0.030775 0.003226 0.005746 0.016320 0.007089 18H 1s 0.010934 0.011995 -0.011889 0.007765 0.000541 0.012951 18H 2s -0.012154 -0.274608 -0.069343 -0.021180 0.171920 -0.002890 18H 3s -0.019758 0.022503 0.082108 0.001417 -0.081067 -0.012898 18H 1pz 0.012446 -0.092516 -0.018286 -0.018908 0.066096 0.005656 18H 1px -0.013916 -0.057168 -0.045958 -0.001409 0.020879 0.002922 18H 1py -0.001149 0.028398 0.002700 -0.005945 -0.013450 0.008695 19H 1s -0.005680 0.019267 -0.016777 -0.014954 -0.007898 -0.006011 19H 2s 0.007401 -0.301380 -0.059791 -0.051138 0.186663 0.059382 19H 3s -0.022970 0.031245 0.090351 -0.016654 -0.092708 -0.032243 19H 1pz 0.008265 0.120896 0.036466 0.021735 -0.075735 -0.020859 19H 1px 0.002220 0.014050 -0.015481 0.011486 -0.024148 0.016354 19H 1py 0.008991 0.018896 -0.004346 0.001098 -0.004336 -0.002646 20H 1s 0.115129 -0.054579 0.031564 0.082348 -0.031566 0.049352 20H 2s 0.654554 -0.452335 0.244985 -0.675251 0.652079 -0.317585 20H 3s -0.129552 0.064302 -0.058153 0.312754 -0.426755 0.125468 20H 1pz -0.058385 0.008691 -0.014350 -0.197879 0.203063 -0.139520 20H 1px -0.052055 0.055251 -0.057541 0.059697 -0.034487 0.077413 20H 1py 0.317445 -0.247958 0.110739 -0.317159 0.259476 -0.147993 21H 1s -0.163230 0.091891 -0.006228 0.071861 -0.075529 -0.034738 21H 2s -0.531401 0.273042 0.248469 -0.422953 0.429429 -0.278598 21H 3s -0.059312 0.032273 -0.035971 0.258223 -0.371499 0.138275 21H 1pz 0.150738 -0.079685 -0.035917 0.148238 -0.141412 0.056690 21H 1px 0.087627 -0.039932 -0.136920 0.193260 -0.223740 0.116507 21H 1py -0.028047 0.031449 0.095216 0.089111 -0.086666 0.077729 22H 1s -0.026160 0.029341 -0.069403 0.002923 -0.020913 0.021928 22H 2s -0.147217 -0.065180 -0.224177 -0.886370 0.824842 -0.385977 22H 3s -0.053552 0.079601 -0.101986 0.310804 -0.353777 0.190031 22H 1pz 0.150377 -0.035875 0.063851 0.297361 -0.261077 0.182542 22H 1px 0.011465 -0.024548 0.012422 -0.201753 0.236792 -0.096113 22H 1py 0.113084 -0.102740 -0.073476 -0.246388 0.211631 -0.064778 23H 1s 0.123040 0.117046 0.016189 -0.079546 -0.043814 -0.081136 23H 2s 0.176858 0.251170 0.131472 0.460443 0.472583 -0.313545 23H 3s 0.003428 0.058150 -0.011681 -0.290997 -0.361103 0.089158 23H 1pz -0.053279 -0.077751 -0.101270 0.103956 0.095555 -0.007226 23H 1px 0.031039 -0.005742 -0.073849 -0.051288 -0.090864 0.043389 23H 1py -0.059671 -0.052186 -0.053911 -0.259533 -0.237047 0.083684 24H 1s -0.085562 -0.039709 0.031060 -0.074371 -0.050610 0.061865 24H 2s -0.449902 -0.543339 0.045092 0.506092 0.595557 -0.054731 24H 3s 0.018471 0.125895 -0.022633 -0.296588 -0.404746 0.053961 24H 1pz 0.178138 0.271012 -0.021876 -0.205308 -0.197742 0.026427 24H 1px 0.042966 0.111723 -0.016152 -0.151571 -0.200129 0.100386 24H 1py 0.017991 -0.016951 -0.058416 0.164429 0.152025 0.003141 25H 1s 0.020828 -0.000643 -0.052536 0.028398 -0.021627 0.042479 25H 2s -0.091362 -0.301215 -0.338802 0.901846 0.773773 -0.099046 25H 3s -0.039753 0.154357 -0.083410 -0.262602 -0.345516 0.127943 25H 1pz 0.089522 0.179513 0.112252 -0.304402 -0.253983 -0.021421 25H 1px -0.008177 -0.039852 -0.068452 0.268846 0.282259 -0.088663 25H 1py -0.092742 -0.021614 0.063516 -0.127998 -0.105861 0.085342 26O 1s 0.002076 0.003165 0.016356 0.006790 0.014351 -0.009409 26O 2s 0.008031 0.009792 0.056455 0.023650 0.051295 -0.031992 26O 3s -0.013942 0.010670 -0.346344 -0.165284 -0.332960 0.222275 26O 4s -0.204170 -0.384849 0.080110 0.161935 0.386998 -0.263946 26O 5s -0.916187 -0.786967 -0.407596 -0.930528 -1.932285 -0.088241 26O 1pz 0.054370 -0.029699 -0.088280 -0.012275 0.015351 -0.034442 26O 1px -0.080004 -0.162270 -0.215865 -0.030757 -0.199302 0.027550 26O 1py -0.127307 0.069666 -0.131880 -0.058499 -0.060076 0.137898 26O 2pz -0.042789 0.101164 0.132679 0.056287 0.032897 0.050834 26O 2px 0.370720 0.584844 0.591820 0.141266 0.579209 -0.087563 26O 2py 0.269293 -0.002442 0.357643 0.173354 0.275263 -0.156471 26O 3pz 0.169170 0.218813 -0.356123 -0.422830 -0.377508 0.061947 26O 3px 0.336779 0.306660 -0.558955 0.184710 0.235493 0.278331 26O 3py 0.110334 0.238079 -0.328304 -0.165198 0.041199 0.393155 26O 1dz2 0.005035 0.000816 0.007366 0.001809 0.000301 -0.003271 26O 1dxz -0.001036 0.000627 -0.001439 -0.003439 -0.001906 0.000895 26O 1dyz -0.003786 -0.000650 -0.002620 -0.003011 -0.006692 0.001096 26O 1dx2y2 -0.006051 -0.009664 -0.009751 0.001554 -0.007178 -0.000324 26O 1dxy -0.010140 -0.004297 -0.013029 -0.003515 -0.011073 0.000648 26O 2dz2 0.043661 0.035570 0.037367 -0.009897 0.021394 -0.025831 26O 2dxz 0.057823 -0.030130 0.058277 0.033855 0.065010 -0.000728 26O 2dyz -0.047330 0.011709 0.031739 -0.009291 -0.025814 -0.015356 26O 2dx2y2 -0.033159 -0.179865 -0.003790 0.039361 -0.063801 0.017776 26O 2dxy -0.056323 -0.046313 -0.037637 -0.000033 -0.096604 -0.052688 26O 1f0 -0.020262 -0.001914 0.004624 -0.005873 -0.007265 0.001973 26O 1f+1 -0.003796 -0.003430 -0.007711 0.000086 -0.006276 -0.005298 26O 1f-1 0.008785 -0.004076 -0.003673 0.002577 -0.005071 -0.017353 26O 1f+2 0.023742 0.002049 -0.009746 0.002568 0.003433 -0.013919 26O 1f-2 0.012842 0.011297 -0.007530 0.006319 0.007622 -0.001006 26O 1f+3 -0.027613 0.000761 0.014059 0.005171 0.024394 0.043474 26O 1f-3 -0.005822 -0.015613 -0.011805 -0.004040 -0.017724 -0.017033 27O 1s 0.005084 0.002978 0.016313 -0.004934 0.016479 -0.011254 27O 2s 0.015280 0.009180 0.055682 -0.018241 0.058365 -0.038774 27O 3s -0.046108 0.007750 -0.359001 0.160706 -0.372139 0.214769 27O 4s -0.307806 -0.339013 0.203361 -0.359260 0.352134 -0.021953 27O 5s -0.256233 -1.023301 0.148424 0.649861 -1.959513 1.219494 27O 1pz 0.095897 0.112499 -0.035173 0.044744 0.003480 0.035704 27O 1px -0.050390 -0.104699 -0.184741 0.008734 -0.243949 0.194796 27O 1py 0.081438 -0.009827 0.133510 -0.021341 0.011825 0.051323 27O 2pz -0.115361 -0.191651 0.071980 -0.149466 0.021606 0.038744 27O 2px 0.298982 0.514887 0.449409 0.009203 0.740999 -0.636480 27O 2py -0.188717 -0.110549 -0.196741 0.036184 -0.106741 0.008677 27O 3pz 0.017260 -0.048243 -0.005017 0.144083 -0.180313 0.207208 27O 3px 0.139750 0.186169 -0.737300 0.076654 0.305237 -0.056954 27O 3py -0.098796 -0.021890 0.510853 -0.554316 0.294293 0.184322 27O 1dz2 0.000107 0.006136 0.007777 -0.001942 0.009144 -0.004644 27O 1dxz 0.004805 0.002679 0.000026 0.004873 -0.001111 -0.001419 27O 1dyz -0.003859 0.002289 0.000286 -0.001897 0.005846 -0.005945 27O 1dx2y2 -0.004319 -0.000744 -0.008960 -0.001074 -0.009867 0.009239 27O 1dxy -0.001298 0.001114 0.001926 -0.003936 0.006411 -0.007443 27O 2dz2 0.036520 0.097174 -0.000660 0.018322 0.065179 -0.045175 27O 2dxz 0.097891 0.082592 -0.023771 0.095458 0.012510 -0.099650 27O 2dyz -0.084850 -0.010079 -0.026276 -0.053130 0.049928 -0.026534 27O 2dx2y2 -0.037756 -0.059140 -0.026107 -0.054442 -0.119241 0.084526 27O 2dxy 0.005962 0.055899 -0.061144 0.032563 -0.048856 -0.055565 27O 1f0 -0.021365 -0.008117 -0.008363 0.019280 -0.010451 -0.020255 27O 1f+1 -0.009786 -0.013539 -0.002198 0.000754 -0.011437 0.006616 27O 1f-1 0.004029 0.007677 -0.009154 0.004627 0.003941 -0.009170 27O 1f+2 0.029339 0.005320 0.006047 -0.017717 0.007684 0.036140 27O 1f-2 -0.019664 -0.010525 -0.006560 0.005830 -0.000922 -0.014977 27O 1f+3 -0.012791 -0.003817 -0.014817 0.005051 -0.002504 -0.011138 27O 1f-3 0.000371 0.009464 -0.020864 0.004179 0.015210 -0.020381 28O 1s 0.005009 -0.003771 -0.009486 0.011875 0.020589 0.006943 28O 2s 0.017397 -0.013574 -0.034244 0.041098 0.071591 0.023934 28O 3s -0.068289 0.180351 0.221962 -0.331210 -0.479393 -0.118257 28O 4s -0.196464 -0.756605 -0.109653 0.874468 0.725093 -0.168603 28O 5s -0.625984 -0.597696 0.072824 -0.965629 -1.956892 -0.632392 28O 1pz -0.143670 -0.009474 0.209495 0.052756 -0.076638 -0.034272 28O 1px 0.057024 0.153906 -0.092657 0.006433 0.199325 0.171233 28O 1py 0.058043 -0.091606 0.068941 0.053025 0.027348 -0.150406 28O 2pz 0.397960 0.240925 -0.373636 -0.107978 0.310726 0.240845 28O 2px -0.297153 -0.598880 0.302172 0.155554 -0.454087 -0.493236 28O 2py -0.073790 0.259775 -0.130222 -0.065563 -0.019580 0.226219 28O 3pz 0.102419 -0.025526 0.691956 -0.104521 0.103390 0.076049 28O 3px -0.154841 -0.113662 -0.288362 -0.159158 -0.330415 0.127299 28O 3py 0.068891 0.072687 0.081601 -0.174486 -0.170346 -0.386588 28O 1dz2 -0.003629 -0.001230 0.004533 -0.000389 -0.000198 0.001447 28O 1dxz 0.010174 0.003905 -0.011261 -0.003361 0.008550 0.011144 28O 1dyz -0.002813 -0.004465 0.007030 -0.001780 -0.004420 -0.004664 28O 1dx2y2 -0.004391 -0.007475 0.009154 0.001665 -0.005296 -0.001267 28O 1dxy -0.002161 0.003772 -0.001822 -0.001911 -0.002345 0.000539 28O 2dz2 0.022587 0.078185 -0.033043 -0.068644 0.028575 0.049413 28O 2dxz 0.039714 0.036226 0.029124 0.022592 0.117155 0.072300 28O 2dyz 0.021152 -0.036560 0.047166 -0.049278 -0.012295 0.038971 28O 2dx2y2 -0.092501 -0.107998 0.037768 0.014253 -0.113556 -0.020923 28O 2dxy -0.069790 0.050406 -0.025017 -0.016515 -0.054037 -0.070466 28O 1f0 -0.013148 -0.011458 0.022293 0.014169 0.017579 0.020546 28O 1f+1 -0.012752 0.007689 -0.020554 -0.013617 -0.027955 -0.022278 28O 1f-1 0.011121 0.010258 -0.000199 0.007101 0.006845 -0.002890 28O 1f+2 0.007097 0.010430 -0.002770 -0.014010 -0.000786 0.009485 28O 1f-2 -0.012478 -0.027668 -0.002581 -0.005192 0.001636 0.022326 28O 1f+3 -0.008106 0.015819 -0.007688 -0.016749 -0.008404 0.012324 28O 1f-3 -0.008391 -0.018388 0.008794 -0.008034 -0.002578 0.009921 29O 1s -0.000062 -0.013677 -0.001665 -0.001226 0.013858 0.000943 29O 2s -0.000538 -0.045299 -0.004869 -0.003961 0.047065 0.002811 29O 3s 0.010426 0.264687 0.020895 0.021486 -0.306840 -0.013255 29O 4s -0.049851 -0.318950 0.162674 -0.031913 0.472350 -0.068208 29O 5s 0.095333 0.610944 -0.866570 0.107917 -0.640191 0.394828 29O 1pz 0.009460 0.033501 0.044248 0.005357 -0.039467 -0.015709 29O 1px 0.002381 -0.086350 -0.154131 -0.010829 0.092684 0.069273 29O 1py 0.009238 0.021570 -0.101885 0.002151 -0.051546 0.038483 29O 2pz -0.005084 -0.098932 -0.059714 -0.014984 0.098895 0.001272 29O 2px -0.000753 0.214385 0.211984 0.028673 -0.209739 -0.103997 29O 2py -0.009751 -0.123055 0.206106 -0.013196 0.137734 -0.075788 29O 3pz 0.011908 0.014495 -0.084884 -0.066657 -0.079585 0.045014 29O 3px -0.049699 -0.087488 0.264796 -0.031064 0.195514 -0.094799 29O 3py -0.009202 -0.160514 -0.053507 -0.037281 0.058024 -0.023658 29O 1dz2 -0.000868 -0.001786 0.002235 -0.001998 0.001184 -0.000992 29O 1dxz 0.001730 -0.001761 0.003702 0.001839 0.001987 -0.001124 29O 1dyz 0.001015 -0.001122 -0.000606 0.000368 0.000878 -0.001239 29O 1dx2y2 0.001132 0.001571 -0.003650 0.000303 -0.000787 0.000650 29O 1dxy 0.000126 0.002602 0.000533 0.001530 -0.001177 0.000525 29O 2dz2 -0.020302 0.018930 0.012263 -0.002893 -0.000949 -0.005954 29O 2dxz 0.010104 0.013412 0.023941 0.001044 0.004789 -0.009449 29O 2dyz 0.000955 0.017783 -0.000581 0.019723 -0.013823 -0.001217 29O 2dx2y2 0.013788 -0.012829 -0.038811 -0.003764 0.001644 0.011671 29O 2dxy -0.000091 -0.048274 0.005660 -0.004855 0.039130 0.004825 29O 1f0 0.000290 -0.006853 -0.000553 0.000595 0.003191 -0.000041 29O 1f+1 -0.001423 0.002902 -0.000785 -0.000585 -0.001204 0.001150 29O 1f-1 -0.000157 -0.008046 -0.001964 0.001057 0.004530 -0.001281 29O 1f+2 0.000128 0.001003 0.001215 0.000972 0.000474 -0.000108 29O 1f-2 0.001535 -0.005349 -0.000804 -0.002972 0.003040 0.001643 29O 1f+3 -0.001278 -0.001916 0.002698 -0.000759 0.001530 -0.001177 29O 1f-3 -0.000311 0.000367 -0.002468 0.000233 0.000724 -0.000487 30O 1s 0.006646 0.002174 -0.008896 -0.009547 0.018158 0.011432 30O 2s 0.021269 0.006000 -0.032335 -0.032868 0.063813 0.039306 30O 3s -0.087356 0.047923 0.185185 0.280301 -0.444338 -0.301690 30O 4s -0.271474 -0.570418 0.084644 -0.799279 0.815193 0.563660 30O 5s -0.444708 -0.841423 0.407928 0.747500 -1.878561 0.084236 30O 1pz -0.182276 -0.139684 0.152279 -0.077229 -0.028177 -0.111301 30O 1px 0.054114 0.080413 -0.106921 0.008942 0.182143 0.037046 30O 1py -0.020101 0.012509 -0.197220 0.049413 0.039013 -0.046782 30O 2pz 0.465670 0.489272 -0.405942 0.250676 0.120550 0.058224 30O 2px -0.243462 -0.402530 0.388709 -0.177184 -0.349129 -0.001757 30O 2py -0.092087 -0.209928 0.415472 -0.096546 -0.186575 0.123291 30O 3pz -0.095546 0.162994 0.303461 0.074436 0.047059 -0.490134 30O 3px -0.019134 -0.202232 -0.171981 0.286848 -0.307155 0.202395 30O 3py -0.071085 -0.028869 -0.560832 0.027377 0.006946 0.029032 30O 1dz2 -0.003199 0.001848 -0.002993 0.001398 0.004604 -0.003265 30O 1dxz 0.008115 0.008842 -0.011884 0.005790 0.003620 -0.001927 30O 1dyz 0.001023 0.003508 -0.014803 0.000528 0.007513 0.001507 30O 1dx2y2 -0.004276 -0.001275 0.001348 -0.000919 -0.002602 -0.003595 30O 1dxy -0.003370 -0.001131 0.008494 -0.001856 -0.002805 -0.004572 30O 2dz2 -0.050140 -0.007266 0.005869 -0.029242 0.068162 0.007845 30O 2dxz 0.061259 0.119262 -0.052122 0.048665 0.077680 -0.061201 30O 2dyz -0.007533 0.025577 -0.023133 -0.040932 0.073752 -0.022917 30O 2dx2y2 -0.069117 -0.069253 0.072499 -0.038189 -0.070761 -0.011621 30O 2dxy -0.027297 -0.013713 -0.043368 0.020837 -0.050232 -0.070823 30O 1f0 -0.013608 -0.012889 0.004170 -0.001175 -0.001686 -0.003851 30O 1f+1 -0.009135 -0.019658 0.013835 -0.013502 -0.008124 0.027383 30O 1f-1 -0.004090 -0.017800 0.008352 -0.015782 -0.001797 0.031314 30O 1f+2 0.003270 0.008057 -0.008650 0.026146 -0.021426 -0.008143 30O 1f-2 0.011586 0.018264 -0.000317 0.008021 0.006592 -0.015360 30O 1f+3 -0.011237 0.004635 -0.010208 0.023001 -0.020516 -0.015268 30O 1f-3 -0.012283 -0.005735 -0.012832 0.006647 -0.005534 -0.003725 31O 1s -0.006497 0.002294 0.008619 -0.010311 0.017257 -0.012807 31O 2s -0.020791 0.006485 0.031392 -0.035515 0.060677 -0.044187 31O 3s 0.083357 0.045149 -0.177499 0.297457 -0.420558 0.336626 31O 4s 0.282271 -0.568669 -0.102985 -0.812823 0.773432 -0.633593 31O 5s 0.434199 -0.876489 -0.390052 0.767596 -1.873801 0.047434 31O 1pz -0.186980 0.141211 0.153097 0.069553 0.017886 -0.111845 31O 1px 0.054390 -0.083489 -0.107946 -0.003799 -0.178364 0.048983 31O 1py -0.019882 -0.016040 -0.198097 -0.043692 -0.041019 -0.039409 31O 2pz 0.475930 -0.492629 -0.409045 -0.234253 -0.112705 0.067256 31O 2px -0.246632 0.413108 0.394132 0.162751 0.344976 -0.020186 31O 2py -0.091480 0.219463 0.417607 0.083298 0.192164 0.105731 31O 3pz -0.096097 -0.166728 0.304850 -0.092367 -0.087890 -0.477155 31O 3px -0.014999 0.212725 -0.182320 -0.278616 0.318762 0.184541 31O 3py -0.070237 0.034966 -0.560640 -0.011768 -0.003461 0.048551 31O 1dz2 0.003242 0.002010 0.003058 0.001325 0.004805 0.002698 31O 1dxz -0.008290 0.009012 0.011983 0.005342 0.003681 0.001522 31O 1dyz -0.001161 0.003915 0.014768 0.000081 0.007201 -0.002089 31O 1dx2y2 0.004332 -0.001248 -0.001340 -0.000704 -0.002302 0.003756 31O 1dxy 0.003447 -0.001408 -0.008507 -0.001456 -0.002338 0.004712 31O 2dz2 0.051882 -0.004203 -0.005042 -0.029783 0.066918 -0.011153 31O 2dxz -0.062870 0.119904 0.052467 0.047319 0.082594 0.052465 31O 2dyz 0.007704 0.026730 0.021894 -0.041232 0.075112 0.016137 31O 2dx2y2 0.071814 -0.073318 -0.072870 -0.034958 -0.068879 0.015059 31O 2dxy 0.025829 -0.014046 0.043129 0.022267 -0.044866 0.070865 31O 1f0 -0.013680 0.013303 0.004209 0.000961 0.001249 -0.003195 31O 1f+1 -0.009501 0.019145 0.013985 0.013378 0.010414 0.024875 31O 1f-1 -0.004299 0.017163 0.008536 0.015904 0.004553 0.029429 31O 1f+2 0.003742 -0.007482 -0.009215 -0.026289 0.020824 -0.009299 31O 1f-2 0.011711 -0.018392 -0.000467 -0.008118 -0.007795 -0.014572 31O 1f+3 -0.011096 -0.003954 -0.010734 -0.023284 0.019208 -0.016009 31O 1f-3 -0.012256 0.005227 -0.013084 -0.006542 0.005446 -0.004404 32O 1s 0.000222 -0.013745 0.001679 -0.001281 0.013513 -0.002040 32O 2s 0.001065 -0.045516 0.004930 -0.004121 0.045932 -0.006549 32O 3s -0.013471 0.265846 -0.021560 0.022175 -0.300063 0.037797 32O 4s 0.053389 -0.320919 -0.161109 -0.024723 0.469936 0.030162 32O 5s -0.101759 0.618272 0.866399 0.068809 -0.661904 -0.343490 32O 1pz 0.009171 -0.032269 0.045937 -0.006696 0.035508 -0.019147 32O 1px 0.000693 0.086687 -0.154629 0.017014 -0.085381 0.075168 32O 1py 0.009452 -0.021444 -0.102036 0.001532 0.054093 0.034048 32O 2pz -0.006637 0.095235 -0.064274 0.015269 -0.092266 0.010492 32O 2px 0.002287 -0.216349 0.212039 -0.037264 0.197807 -0.117762 32O 2py -0.010860 0.124129 0.206723 0.005514 -0.141935 -0.064561 32O 3pz 0.008318 -0.014412 -0.080321 0.069347 0.079743 0.030229 32O 3px -0.052453 0.089265 0.265051 0.019505 -0.200736 -0.082271 32O 3py -0.010202 0.160955 -0.054802 0.038041 -0.058372 -0.020612 32O 1dz2 0.000975 -0.001815 -0.002274 -0.001878 0.001244 0.001054 32O 1dxz -0.001740 -0.001782 -0.003659 0.001947 0.001992 0.000739 32O 1dyz -0.001007 -0.001100 0.000628 0.000380 0.000963 0.001060 32O 1dx2y2 -0.001146 0.001606 0.003685 0.000119 -0.000810 -0.000641 32O 1dxy -0.000131 0.002511 -0.000543 0.001566 -0.001197 -0.000566 32O 2dz2 0.019704 0.018978 -0.012002 -0.003003 0.000254 0.006606 32O 2dxz -0.009918 0.013998 -0.023105 0.002080 0.004619 0.008450 32O 2dyz -0.002065 0.019030 0.000752 0.019365 -0.013615 0.000970 32O 2dx2y2 -0.013670 -0.012240 0.039096 -0.005827 0.000401 -0.012042 32O 2dxy 0.000234 -0.048899 -0.005697 -0.004701 0.037811 -0.008464 32O 1f0 0.000285 0.006337 -0.000536 -0.000543 -0.002818 0.000445 32O 1f+1 -0.001455 -0.003233 -0.000827 0.000537 0.001449 0.000851 32O 1f-1 -0.000252 0.008396 -0.001994 -0.001099 -0.004771 -0.000821 32O 1f+2 0.000149 -0.001394 0.001149 -0.001035 -0.000270 0.000021 32O 1f-2 0.001489 0.005128 -0.000774 0.003029 -0.002715 0.001809 32O 1f+3 -0.001256 0.002065 0.002711 0.000652 -0.001648 -0.000986 32O 1f-3 -0.000279 -0.000375 -0.002471 -0.000143 -0.000802 -0.000445 33O 1s -0.005173 -0.003948 0.009924 0.011495 0.020095 -0.008607 33O 2s -0.017910 -0.014070 0.035752 0.039683 0.069857 -0.029791 33O 3s 0.070403 0.180488 -0.233999 -0.322512 -0.471699 0.160367 33O 4s 0.200630 -0.734542 0.141631 0.873472 0.743545 0.085266 33O 5s 0.656761 -0.586221 -0.111576 -0.944922 -1.891096 0.772753 33O 1pz -0.143879 0.008851 0.207787 -0.064139 0.072346 -0.039878 33O 1px 0.058858 -0.150583 -0.092920 -0.001252 -0.184345 0.184274 33O 1py 0.059957 0.087999 0.065212 -0.054897 -0.038490 -0.148736 33O 2pz 0.405143 -0.231493 -0.370450 0.131854 -0.286407 0.258444 33O 2px -0.305074 0.583413 0.296463 -0.172766 0.409644 -0.512976 33O 2py -0.076358 -0.248971 -0.123828 0.067353 0.035003 0.224236 33O 3pz 0.101939 0.032129 0.687238 0.081110 -0.097459 0.071146 33O 3px -0.160177 0.111177 -0.281365 0.167950 0.337478 0.113072 33O 3py 0.063442 -0.072934 0.088890 0.166335 0.138280 -0.408198 33O 1dz2 0.003693 -0.001462 -0.004547 -0.000143 -0.000184 -0.001491 33O 1dxz -0.010164 0.003782 0.011162 -0.004094 0.007514 -0.011678 33O 1dyz 0.002839 -0.004596 -0.007035 -0.001402 -0.003927 0.005042 33O 1dx2y2 0.004357 -0.007270 -0.009031 0.001969 -0.005151 0.001700 33O 1dxy 0.002176 0.003620 0.001717 -0.001911 -0.002325 -0.000274 33O 2dz2 -0.020687 0.075878 0.029740 -0.069931 0.024850 -0.049156 33O 2dxz -0.041702 0.033865 -0.027559 0.022656 0.111172 -0.079900 33O 2dyz -0.021922 -0.037832 -0.047445 -0.048803 -0.015058 -0.036502 33O 2dx2y2 0.093162 -0.106375 -0.037400 0.016173 -0.110817 0.027318 33O 2dxy 0.071324 0.047779 0.022932 -0.014087 -0.046997 0.076016 33O 1f0 -0.013050 0.011172 0.021547 -0.014501 -0.015804 0.022625 33O 1f+1 -0.013154 -0.007673 -0.019869 0.013613 0.025957 -0.025064 33O 1f-1 0.011356 -0.009881 -0.000406 -0.007131 -0.007111 -0.002522 33O 1f+2 0.007206 -0.010203 -0.002267 0.014408 0.001799 0.009082 33O 1f-2 -0.012408 0.026158 -0.002671 0.005966 0.000532 0.022787 33O 1f+3 -0.008130 -0.015520 -0.006996 0.017024 0.009411 0.011267 33O 1f-3 -0.008185 0.017664 0.008867 0.007999 0.003475 0.009668 34O 1s -0.004988 0.002972 -0.016506 -0.004330 0.017368 0.009832 34O 2s -0.014978 0.009266 -0.056381 -0.016146 0.061389 0.033800 34O 3s 0.043709 0.007240 0.365231 0.146953 -0.387918 -0.184146 34O 4s 0.311939 -0.336973 -0.219880 -0.346090 0.344455 0.000141 34O 5s 0.251827 -1.058869 -0.126137 0.645909 -2.046735 -1.047437 34O 1pz 0.099432 -0.112837 -0.034564 -0.042992 -0.000960 0.035802 34O 1px -0.051411 0.108019 -0.184324 -0.001435 0.259718 0.172700 34O 1py 0.082773 0.009068 0.133413 0.018374 -0.008378 0.047590 34O 2pz -0.122977 0.192057 0.072412 0.147879 -0.016906 0.035437 34O 2px 0.301169 -0.524454 0.445986 -0.026169 -0.794874 -0.567963 34O 2py -0.190592 0.111767 -0.197412 -0.031839 0.109364 0.005379 34O 3pz 0.021832 0.044938 -0.010624 -0.142958 0.197869 0.182022 34O 3px 0.143902 -0.202568 -0.742766 -0.050760 -0.303756 -0.026285 34O 3py -0.109768 0.025787 0.525205 0.539562 -0.283064 0.188923 34O 1dz2 -0.000183 0.006412 -0.007777 -0.001578 0.009534 0.004074 34O 1dxz -0.004945 0.002660 0.000092 0.004893 -0.000938 0.001540 34O 1dyz 0.003853 0.002519 -0.000307 -0.001711 0.006255 0.005533 34O 1dx2y2 0.004417 -0.001069 0.008833 -0.001376 -0.010586 -0.008321 34O 1dxy 0.001206 0.001397 -0.002017 -0.003770 0.006957 0.006932 34O 2dz2 -0.037531 0.098545 0.001389 0.019726 0.068407 0.041232 34O 2dxz -0.100795 0.081188 0.025337 0.095181 0.021796 0.093505 34O 2dyz 0.085580 -0.005687 0.025076 -0.052338 0.050673 0.024466 34O 2dx2y2 0.038613 -0.061009 0.023767 -0.055871 -0.125308 -0.072704 34O 2dxy -0.006744 0.055190 0.061071 0.032319 -0.044366 0.058551 34O 1f0 -0.021191 0.008378 -0.008818 -0.019380 0.008610 -0.019666 34O 1f+1 -0.009800 0.013748 -0.002150 -0.000768 0.012001 0.005585 34O 1f-1 0.004157 -0.007631 -0.009142 -0.004443 -0.004707 -0.008301 34O 1f+2 0.029159 -0.005435 0.006394 0.018286 -0.004648 0.034968 34O 1f-2 -0.019528 0.010269 -0.006614 -0.006019 -0.000238 -0.014264 34O 1f+3 -0.012819 0.004122 -0.014650 -0.004826 0.001709 -0.010195 34O 1f-3 0.000522 -0.010084 -0.020771 -0.003571 -0.016752 -0.018294 35O 1s -0.002267 0.002756 -0.016169 0.007562 0.015199 0.008088 35O 2s -0.008649 0.008509 -0.055768 0.026260 0.054142 0.027318 35O 3s 0.017037 0.016726 0.341407 -0.181755 -0.352466 -0.192331 35O 4s 0.205757 -0.376634 -0.075805 0.169131 0.407445 0.235671 35O 5s 0.940849 -0.771245 0.372430 -0.932005 -1.915385 0.253559 35O 1pz 0.055224 0.029717 -0.087359 0.016332 -0.017147 -0.032334 35O 1px -0.080279 0.157737 -0.214838 0.038535 0.201998 0.009042 35O 1py -0.129897 -0.069403 -0.127704 0.062509 0.069613 0.133050 35O 2pz -0.042430 -0.097869 0.129950 -0.063203 -0.030617 0.049680 35O 2px 0.375965 -0.567814 0.586614 -0.162154 -0.587208 -0.033100 35O 2py 0.277664 0.005744 0.346481 -0.182493 -0.284199 -0.132331 35O 3pz 0.165130 -0.212144 -0.334118 0.435639 0.382620 0.029796 35O 3px 0.343259 -0.306439 -0.560167 -0.157051 -0.207526 0.307440 35O 3py 0.110732 -0.244297 -0.322436 0.187482 -0.003538 0.406170 35O 1dz2 -0.005076 0.000635 -0.007315 0.002019 0.000597 0.003126 35O 1dxz 0.000959 0.000612 0.001324 -0.003508 -0.001978 -0.000663 35O 1dyz 0.003850 -0.000818 0.002461 -0.002986 -0.006707 -0.000632 35O 1dx2y2 0.006050 -0.009517 0.009801 0.001234 -0.007128 0.000926 35O 1dxy 0.010212 -0.004366 0.012743 -0.003770 -0.011022 0.000301 35O 2dz2 -0.044883 0.033430 -0.038140 -0.009360 0.023218 0.022216 35O 2dxz -0.057628 -0.028835 -0.056378 0.033469 0.063704 -0.007375 35O 2dyz 0.048233 0.008914 -0.032792 -0.006482 -0.023848 0.014739 35O 2dx2y2 0.032838 -0.175149 0.007090 0.036748 -0.066268 -0.011687 35O 2dxy 0.058298 -0.048244 0.036168 0.002452 -0.089574 0.060449 35O 1f0 -0.020529 0.001471 0.004763 0.005559 0.007395 0.001754 35O 1f+1 -0.003826 0.003756 -0.007644 0.000100 0.005818 -0.005857 35O 1f-1 0.008705 0.004051 -0.003625 -0.002626 0.003674 -0.017921 35O 1f+2 0.023641 -0.001737 -0.009722 -0.002166 -0.004467 -0.014276 35O 1f-2 0.013137 -0.010568 -0.007595 -0.006098 -0.007687 -0.000688 35O 1f+3 -0.027348 -0.000818 0.013415 -0.005019 -0.020716 0.045906 35O 1f-3 -0.006191 0.015191 -0.011361 0.004049 0.016190 -0.018618 486 487 488 489 490 491 3.00999 3.01066 3.01360 3.01575 3.05000 3.05089 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s -0.000848 0.001010 -0.000376 -0.000791 -0.001195 0.001794 0Rh 2s 0.005862 -0.007100 0.000930 0.005656 0.009114 -0.007547 0Rh 3s -0.001467 0.001687 -0.001663 -0.001258 -0.001559 0.006059 0Rh 4s -0.030705 0.037900 -0.004874 -0.030068 -0.048372 0.039998 0Rh 5s 0.054015 -0.076971 0.000383 0.059703 0.096807 -0.052008 0Rh 6s 0.001716 0.063197 0.040973 -0.039136 -0.064812 -0.084450 0Rh 7s -0.193533 0.050547 -0.265351 -0.123208 -0.056447 0.741772 0Rh 8s -0.065743 -0.070939 -0.020523 0.050185 0.138651 -0.227004 0Rh 1pz -0.001057 -0.001272 -0.001507 0.003901 -0.000113 0.001393 0Rh 1px -0.002193 -0.002430 -0.002208 0.003845 -0.001227 0.006857 0Rh 1py -0.003126 -0.004829 0.002014 -0.001076 -0.001151 0.003350 0Rh 2pz 0.004316 0.004174 0.005549 -0.014121 0.001091 -0.005416 0Rh 2px 0.008444 0.008695 0.008351 -0.014081 0.005019 -0.025654 0Rh 2py 0.011485 0.017331 -0.007995 0.003616 0.004106 -0.012803 0Rh 3pz -0.016279 0.004677 -0.006871 0.013987 -0.016149 0.014966 0Rh 3px -0.019151 -0.005621 -0.015554 0.016784 -0.016969 0.041258 0Rh 3py -0.013966 -0.013879 0.024319 0.001936 -0.003131 0.027707 0Rh 4pz 0.047270 -0.048680 -0.016512 0.046397 0.064055 -0.033759 0Rh 4px 0.017352 -0.046867 0.000278 0.038759 0.032202 0.030310 0Rh 4py -0.033851 -0.071680 -0.052196 -0.032661 -0.015183 -0.025304 0Rh 5pz -0.145261 0.089051 0.052967 -0.097358 -0.138480 0.102629 0Rh 5px -0.026809 0.124145 0.019789 -0.103455 -0.047477 -0.136857 0Rh 5py 0.102613 0.153963 0.146959 0.057451 0.027314 0.054231 0Rh 6pz 1.044373 -0.244159 -0.623607 0.200421 0.714977 0.997002 0Rh 6px 0.126857 -0.815036 -0.228405 0.538602 0.145861 1.006648 0Rh 6py -0.608298 -0.569737 -0.970478 -0.131658 -0.397167 0.296207 0Rh 1dz2 0.002365 -0.015411 -0.000654 0.007841 -0.001501 0.003846 0Rh 1dxz -0.005480 0.021548 -0.004806 -0.018697 -0.011142 0.016217 0Rh 1dyz -0.011319 -0.007312 0.004210 -0.010385 -0.004757 0.001512 0Rh 1dx2y2 0.002298 -0.003792 0.002886 -0.016605 0.005244 -0.014360 0Rh 1dxy 0.005804 0.026946 0.015407 0.013300 0.007458 -0.007760 0Rh 2dz2 -0.000010 -0.002654 -0.000251 0.001200 0.001288 -0.000738 0Rh 2dxz -0.000628 0.000477 -0.000231 -0.000997 -0.000785 0.001002 0Rh 2dyz -0.001195 -0.000299 0.000134 -0.001453 0.001503 0.000408 0Rh 2dx2y2 0.000603 0.002203 -0.000025 -0.003475 -0.000048 0.000273 0Rh 2dxy 0.001118 0.004025 0.000961 0.000484 0.000329 -0.000046 0Rh 3dz2 -0.007338 0.059960 0.003196 -0.029938 -0.001105 -0.008917 0Rh 3dxz 0.019833 -0.069116 0.016038 0.062610 0.038544 -0.055436 0Rh 3dyz 0.040376 0.024089 -0.013505 0.038926 0.008016 -0.006707 0Rh 3dx2y2 -0.009990 0.001684 -0.008835 0.067634 -0.016348 0.043900 0Rh 3dxy -0.023107 -0.102161 -0.052128 -0.043560 -0.025022 0.024551 0Rh 4dz2 0.003339 -0.057623 -0.005322 0.029031 0.015600 -0.001491 0Rh 4dxz -0.014464 0.030655 -0.009633 -0.033834 -0.026623 0.036537 0Rh 4dyz -0.026604 -0.013981 0.003345 -0.033597 0.016208 0.010127 0Rh 4dx2y2 0.012808 0.029500 0.003016 -0.074705 0.008937 -0.018458 0Rh 4dxy 0.022842 0.090675 0.029136 0.021367 0.015940 -0.011263 0Rh 5dz2 -0.008722 0.042324 0.020813 -0.027872 -0.035175 0.006885 0Rh 5dxz -0.028003 0.113139 -0.016728 -0.104903 -0.015880 0.022248 0Rh 5dyz -0.073230 0.029450 0.072279 0.002474 -0.053903 -0.044248 0Rh 5dx2y2 -0.007426 -0.108903 0.025870 0.100682 0.002436 -0.042707 0Rh 5dxy -0.008143 0.019042 0.090322 0.081620 0.038224 -0.045111 0Rh 1f0 0.002401 0.011688 -0.019589 0.006075 0.004247 0.001702 0Rh 1f+1 0.025911 0.011737 -0.012394 -0.000490 -0.002680 -0.008878 0Rh 1f-1 0.023302 0.030986 -0.012323 -0.006479 0.007452 -0.057307 0Rh 1f+2 -0.023303 -0.013279 0.002885 0.018628 0.022191 0.014163 0Rh 1f-2 0.001775 0.019170 -0.030286 0.013849 0.028044 -0.017701 0Rh 1f+3 0.027732 -0.005238 0.024500 -0.012652 -0.008065 -0.016320 0Rh 1f-3 -0.004105 0.006118 -0.020796 0.011286 0.012529 -0.004757 1Rh 1s -0.000985 -0.000804 -0.000241 0.000822 0.000542 0.002215 1Rh 2s 0.006710 0.005639 -0.000036 -0.005722 -0.006139 -0.011348 1Rh 3s -0.001764 -0.001353 -0.001449 0.001401 -0.000506 0.006249 1Rh 4s -0.035280 -0.030226 0.000273 0.030411 0.032593 0.060185 1Rh 5s 0.063445 0.062983 -0.009961 -0.059527 -0.074278 -0.095203 1Rh 6s -0.007765 -0.060689 0.048630 0.035128 0.088145 -0.043956 1Rh 7s -0.190313 -0.015728 -0.254039 0.145847 -0.192802 0.730269 1Rh 8s -0.059915 0.081727 -0.032917 -0.046983 -0.062468 -0.227574 1Rh 1pz 0.000890 -0.001356 0.001927 0.003832 0.000400 -0.001522 1Rh 1px 0.001675 -0.002791 0.002651 0.003645 0.001039 -0.006502 1Rh 1py 0.001999 -0.005505 -0.001726 -0.001031 0.000040 -0.003628 1Rh 2pz -0.003783 0.004586 -0.007047 -0.013866 -0.000928 0.006150 1Rh 2px -0.006587 0.010100 -0.009956 -0.013327 -0.003476 0.024470 1Rh 2py -0.007432 0.019864 0.006923 0.003414 -0.000448 0.013846 1Rh 3pz 0.017170 0.001592 0.007941 0.013627 -0.010234 -0.021379 1Rh 3px 0.017860 -0.009175 0.017070 0.015410 -0.003032 -0.042341 1Rh 3py 0.010516 -0.018093 -0.022610 0.003167 0.006786 -0.029642 1Rh 4pz -0.054222 -0.036085 0.022987 0.045990 0.050656 0.055668 1Rh 4px -0.026928 -0.042288 0.005998 0.038717 0.041109 -0.016029 1Rh 4py 0.018001 -0.073644 0.053187 -0.037265 -0.024592 0.026388 1Rh 5pz 0.155906 0.051625 -0.065620 -0.096717 -0.100643 -0.145939 1Rh 5px 0.052057 0.115706 -0.036156 -0.102016 -0.090654 0.105055 1Rh 5py -0.068497 0.162046 -0.150300 0.071014 0.047818 -0.057261 1Rh 6pz -1.055914 0.010020 0.650669 0.201620 0.985860 -0.673160 1Rh 6px -0.282739 -0.768161 0.322394 0.534179 0.450420 -0.830467 1Rh 6py 0.480481 -0.615003 0.988729 -0.226955 -0.300203 -0.249011 1Rh 1dz2 0.005478 0.014533 -0.002232 -0.007799 0.000175 0.003819 1Rh 1dxz -0.009506 -0.019982 -0.001838 0.019004 0.005477 0.017139 1Rh 1dyz -0.008964 0.009582 0.004521 0.010468 0.004226 0.004547 1Rh 1dx2y2 0.003441 0.003064 0.003776 0.016240 -0.000321 -0.014225 1Rh 1dxy 0.000039 -0.026599 0.015943 -0.014416 -0.004540 -0.009749 1Rh 2dz2 0.000519 0.002560 -0.000538 -0.001180 -0.001050 -0.000788 1Rh 2dxz -0.000660 -0.000346 -0.000107 0.001013 0.000481 0.000798 1Rh 2dyz -0.001101 0.000572 0.000185 0.001486 -0.001718 0.000925 1Rh 2dx2y2 0.000150 -0.002284 0.000377 0.003444 -0.000095 0.000532 1Rh 2dxy 0.000243 -0.004080 0.001130 -0.000575 -0.000380 0.000178 1Rh 3dz2 -0.019402 -0.056807 0.009419 0.029721 0.004257 -0.008633 1Rh 3dxz 0.032494 0.063665 0.006251 -0.063642 -0.019389 -0.057428 1Rh 3dyz 0.032649 -0.032331 -0.014701 -0.039334 -0.005325 -0.018588 1Rh 3dx2y2 -0.011473 0.000967 -0.013450 -0.066358 0.001525 0.042328 1Rh 3dxy -0.001194 0.101335 -0.054576 0.047430 0.016098 0.029807 1Rh 4dz2 0.014627 0.055138 -0.011628 -0.028685 -0.015415 -0.001808 1Rh 4dxz -0.019534 -0.027184 -0.004611 0.034450 0.014513 0.035058 1Rh 4dyz -0.022552 0.019667 0.004322 0.034236 -0.021034 0.021756 1Rh 4dx2y2 0.007410 -0.031763 0.010369 0.073801 -0.003339 -0.015032 1Rh 4dxy 0.003281 -0.091183 0.032377 -0.023785 -0.012709 -0.010939 1Rh 5dz2 -0.013484 -0.038683 0.027065 0.027178 0.034864 0.005415 1Rh 5dxz -0.048318 -0.105088 -0.001679 0.106600 0.006311 0.031765 1Rh 5dyz -0.072373 -0.012959 0.076329 -0.004520 0.074513 -0.045931 1Rh 5dx2y2 0.012543 0.107758 0.010642 -0.102190 0.013680 -0.044163 1Rh 5dxy -0.012815 -0.012651 0.086804 -0.087207 -0.018251 -0.062718 1Rh 1f0 0.000309 0.013004 0.018938 0.005028 0.004290 -0.001254 1Rh 1f+1 -0.022691 0.017596 0.011416 -0.000535 -0.004807 0.004412 1Rh 1f-1 -0.016398 0.036565 0.009583 -0.007199 -0.011155 0.051816 1Rh 1f+2 0.020586 -0.018260 -0.000313 0.018631 0.025262 -0.005315 1Rh 1f-2 0.003493 0.020797 0.030026 0.011738 0.021687 0.021885 1Rh 1f+3 -0.028830 -0.000734 -0.024959 -0.010191 -0.012547 0.012268 1Rh 1f-3 0.005671 0.006789 0.021260 0.009566 0.010494 0.005654 2C 1s -0.002513 0.029993 0.002663 -0.009153 0.003605 0.004823 2C 2s -0.005168 0.085170 0.007847 -0.026367 0.011626 0.007860 2C 3s -0.166477 -0.290256 -0.124390 0.102465 -0.044466 0.587053 2C 4s 0.942398 -0.265735 0.544892 0.064225 0.123350 -2.989653 2C 5s -0.983705 1.438937 0.289514 -0.369561 -0.135326 1.261923 2C 1pz -0.017516 -0.053451 -0.020042 0.023370 -0.003599 0.211480 2C 1px -0.026073 0.039940 0.033091 0.003692 -0.016933 -0.011648 2C 1py -0.087049 -0.011831 -0.031804 0.011009 -0.019325 0.120263 2C 2pz 0.265746 1.795982 0.512085 -0.379625 0.169718 -1.290938 2C 2px 0.080129 0.099640 -0.101530 -0.057539 0.015713 0.207861 2C 2py 0.248466 1.007750 0.334910 -0.416978 0.327846 -0.817345 2C 3pz -0.215233 0.204294 0.043592 -0.031460 -0.151289 0.120486 2C 3px -0.025359 -0.062933 0.061919 0.023723 -0.068162 0.252287 2C 3py -0.068125 0.125267 0.106205 -0.053456 0.070090 0.107845 2C 1dz2 0.081501 -0.027216 0.060787 -0.024542 -0.002319 0.145523 2C 1dxz -0.068972 0.006645 -0.073372 -0.007444 -0.065724 -0.070990 2C 1dyz -0.065676 0.120832 -0.040451 -0.011684 -0.013344 -0.097739 2C 1dx2y2 -0.042505 0.079726 -0.044094 -0.045268 -0.132817 -0.318286 2C 1dxy 0.112480 0.013351 0.029637 -0.039360 -0.076015 -0.149690 2C 2dz2 -0.030027 0.567640 0.148089 -0.082448 0.018921 -0.344454 2C 2dxz 0.174582 0.239184 0.072762 -0.128063 0.293025 -0.177933 2C 2dyz 0.118029 0.508738 0.207392 -0.164397 0.069589 -0.069040 2C 2dx2y2 0.044346 -0.511127 -0.027757 0.123122 0.009162 0.695024 2C 2dxy -0.118340 0.154703 -0.141049 0.039173 -0.114228 -0.007883 2C 1f0 0.013529 -0.046390 0.038018 0.012334 0.083780 0.091465 2C 1f+1 -0.061342 0.103633 -0.009379 -0.033185 0.148774 -0.063416 2C 1f-1 -0.061909 0.167102 0.012260 -0.043791 -0.037213 0.032423 2C 1f+2 -0.040913 0.018924 -0.029070 -0.017974 0.098975 0.002547 2C 1f-2 0.109531 0.043047 0.039403 0.006825 0.048144 -0.158814 2C 1f+3 0.074914 0.179950 0.071493 -0.027425 0.008701 0.005598 2C 1f-3 0.014121 0.012540 0.026300 0.006199 -0.004944 0.097782 3C 1s -0.000054 -0.009225 -0.009289 -0.032408 0.008541 -0.009772 3C 2s 0.000110 -0.026595 -0.023414 -0.090710 0.022689 -0.030432 3C 3s -0.048507 0.112922 -0.217013 0.062881 0.365179 0.365851 3C 4s 0.254732 -0.010022 1.575590 1.530712 -2.366598 -1.191599 3C 5s -0.330683 -0.230236 -1.215068 -1.141704 0.682485 0.319894 3C 1pz 0.012689 0.010297 -0.072644 -0.029287 0.100018 0.076212 3C 1px -0.014000 -0.008312 -0.075744 -0.046668 0.005797 0.006049 3C 1py 0.015585 -0.026319 0.054479 0.021527 -0.084881 -0.099853 3C 2pz 0.039482 -0.372743 0.306547 -0.487735 -0.869667 -0.784324 3C 2px 0.168443 -0.078230 0.093075 -0.236564 -0.171139 -0.137959 3C 2py -0.051273 0.490691 -0.212014 1.193283 0.853431 1.165029 3C 3pz 0.024623 -0.008431 -0.065391 -0.062855 -0.222711 -0.022887 3C 3px -0.133146 0.082956 0.013789 0.070111 0.054415 0.030011 3C 3py 0.039381 0.056739 0.233294 0.066178 -0.039454 -0.121993 3C 1dz2 -0.003598 0.052623 -0.102387 -0.079964 0.182603 0.041909 3C 1dxz -0.076512 0.048319 0.075854 0.034155 0.146104 0.038317 3C 1dyz -0.000261 0.022254 0.002727 0.080437 -0.001578 0.034320 3C 1dx2y2 0.081780 -0.008008 -0.002390 0.021615 -0.209022 -0.036986 3C 1dxy -0.152397 0.034966 0.137536 0.099141 0.131894 0.016635 3C 2dz2 -0.026842 0.015248 0.136560 0.232694 -0.209625 0.001581 3C 2dxz 0.165350 -0.231800 -0.069299 -0.418547 -0.326349 -0.279372 3C 2dyz 0.026472 0.092457 0.057511 0.353516 0.257979 0.279284 3C 2dx2y2 -0.017590 0.183832 -0.084660 0.336341 0.429233 0.379879 3C 2dxy 0.007710 0.060607 -0.206625 0.131419 0.075010 0.127947 3C 1f0 0.023725 0.043887 -0.015603 0.162651 0.061269 0.071861 3C 1f+1 -0.065359 0.017416 0.061653 0.046488 0.069902 0.012883 3C 1f-1 -0.006054 0.034404 0.108367 0.070085 -0.065727 -0.029136 3C 1f+2 -0.034699 -0.026710 0.044539 -0.062409 0.077342 -0.029288 3C 1f-2 0.040160 0.038906 -0.093312 0.024753 0.021481 0.056304 3C 1f+3 0.049160 -0.048726 -0.064768 -0.160419 -0.046106 -0.050074 3C 1f-3 0.010978 -0.031227 0.064223 0.040775 -0.003332 -0.005758 4C 1s -0.003032 0.006748 0.000797 0.000068 -0.004544 0.006374 4C 2s -0.011811 0.020683 0.002185 0.000284 -0.012518 0.025263 4C 3s 0.281158 0.274151 0.142845 -0.092618 -0.390154 -0.842751 4C 4s -1.089553 -2.098369 -0.769592 0.514350 1.970325 3.307818 4C 5s 0.346275 -1.465925 -0.083268 0.307382 1.662910 0.241649 4C 1pz -0.027322 0.048578 -0.028208 -0.014276 -0.050805 0.100916 4C 1px -0.019915 -0.112922 0.028062 0.024644 -0.016574 0.068415 4C 1py -0.030285 -0.012965 -0.016006 -0.013341 -0.021523 0.081959 4C 2pz 0.220612 0.808975 0.529538 -0.209265 0.821676 -0.974796 4C 2px 0.249979 0.573226 -0.475898 -0.272407 0.418245 -0.605094 4C 2py 0.219292 0.683649 0.158318 -0.182737 0.677604 -0.787921 4C 3pz -0.555099 0.103885 0.361114 -0.045667 0.694386 0.735779 4C 3px -0.180939 -0.074754 -0.250126 -0.020925 0.069581 0.917112 4C 3py -0.460796 -0.056177 0.056662 -0.058359 0.005869 0.786119 4C 1dz2 0.068915 0.217246 0.021858 -0.036767 -0.042933 -0.068016 4C 1dxz -0.278705 -0.057068 -0.108446 -0.031044 -0.072089 0.195943 4C 1dyz -0.156573 0.370190 0.014992 -0.115248 0.016018 -0.014513 4C 1dx2y2 -0.273412 0.017563 -0.138459 -0.047825 -0.276640 -0.149289 4C 1dxy 0.355546 0.026505 0.248604 0.086133 -0.116828 0.141683 4C 2dz2 -0.269407 -0.455471 0.035089 0.150895 -0.167858 0.573229 4C 2dxz 0.408928 0.155792 -0.257966 -0.041798 -0.110142 -0.549579 4C 2dyz 0.025232 -0.751550 -0.161966 0.201515 -0.000565 0.455374 4C 2dx2y2 0.269026 0.009858 0.156470 0.065825 0.759686 0.167093 4C 2dxy -0.354795 -0.185559 -0.536815 -0.163247 0.584597 -0.146197 4C 1f0 -0.148826 0.051982 -0.054030 -0.050516 -0.007962 -0.033327 4C 1f+1 0.115877 0.106001 0.075633 -0.011192 -0.143459 -0.162597 4C 1f-1 0.050276 -0.009024 0.064144 0.028699 -0.015295 0.146846 4C 1f+2 0.042576 -0.109375 -0.004512 0.017424 0.120112 0.084361 4C 1f-2 -0.101156 0.066520 -0.046922 -0.018605 0.028420 -0.095292 4C 1f+3 -0.177811 -0.020028 -0.088026 -0.027818 -0.047145 -0.042718 4C 1f-3 -0.002412 0.085420 0.008246 0.002945 -0.156022 -0.029742 5C 1s 0.000628 -0.000880 -0.005164 -0.006322 -0.004014 0.004878 5C 2s 0.001363 -0.002339 -0.019323 -0.021747 -0.008086 0.016989 5C 3s 0.106820 -0.090034 0.332230 0.123462 -0.801330 -0.510309 5C 4s -0.582405 0.594798 -1.093089 0.269581 3.938150 2.151850 5C 5s 0.045856 0.316667 0.416519 0.668688 1.653299 0.008689 5C 1pz 0.008984 -0.005879 -0.041534 -0.054496 0.027742 0.000113 5C 1px -0.049134 0.000249 -0.032168 0.045666 0.073266 0.039087 5C 1py 0.002128 -0.001460 0.061651 0.069747 -0.097116 -0.014090 5C 2pz -0.198180 -0.100411 0.254479 -0.166913 -0.263580 -0.517021 5C 2px 0.617208 -0.292394 0.253063 -0.614918 -0.152052 -0.182082 5C 2py 0.122734 0.294775 -0.441154 0.450115 0.536921 0.836706 5C 3pz -0.225542 -0.083985 -0.370497 0.047662 0.797192 0.166632 5C 3px 0.224474 -0.064168 -0.527106 -0.100295 0.622455 0.502437 5C 3py 0.178352 -0.140357 0.596952 0.076398 -0.673631 -0.228926 5C 1dz2 0.094375 -0.002892 -0.108116 -0.000587 0.135176 0.017683 5C 1dxz -0.237115 0.097317 0.370707 0.055818 0.081639 -0.024149 5C 1dyz -0.031746 0.090552 0.003767 0.309466 0.169524 0.134889 5C 1dx2y2 -0.039732 0.103138 0.112659 0.233023 -0.139706 0.021640 5C 1dxy -0.095266 0.028683 0.363366 0.136888 -0.031061 -0.003730 5C 2dz2 -0.198556 -0.035693 0.188855 0.042406 -0.546503 -0.236831 5C 2dxz 0.475415 -0.090334 -0.398698 0.015995 -0.252782 0.245409 5C 2dyz 0.268609 -0.233238 0.178153 -0.519726 -0.725109 -0.406868 5C 2dx2y2 0.227314 -0.219774 0.064474 -0.360041 0.249889 -0.102525 5C 2dxy -0.218882 0.061840 -0.371266 0.013083 -0.141979 -0.186695 5C 1f0 -0.057516 -0.008171 0.151716 -0.007191 -0.014348 -0.060210 5C 1f+1 0.064659 -0.006608 -0.107992 -0.057405 -0.115964 0.016034 5C 1f-1 0.080000 -0.018386 -0.092512 -0.051743 -0.083132 0.004983 5C 1f+2 0.069828 -0.037880 -0.039257 0.025596 -0.041616 -0.012476 5C 1f-2 -0.075263 0.066828 0.096510 0.093769 0.147582 0.011831 5C 1f+3 -0.043371 0.008485 0.137790 0.035821 -0.218248 -0.071750 5C 1f-3 -0.039845 0.014161 0.040889 -0.005191 0.200619 0.002040 6C 1s 0.000949 0.000494 -0.004647 0.006485 0.002243 0.005298 6C 2s 0.002331 0.001081 -0.017553 0.022407 0.002138 0.017253 6C 3s 0.119450 0.082131 0.327103 -0.141498 0.938493 -0.315464 6C 4s -0.695055 -0.510480 -1.124422 -0.202959 -4.483598 1.185605 6C 5s -0.025326 -0.295715 0.345832 -0.688179 -1.600684 -0.266299 6C 1pz -0.010994 -0.000839 0.036915 -0.055205 0.026000 0.009094 6C 1px 0.049343 -0.007691 0.034747 0.043802 0.079966 -0.014485 6C 1py -0.001554 -0.005682 -0.054319 0.070704 -0.094225 -0.022476 6C 2pz 0.170419 -0.155318 -0.247181 -0.170567 -0.401400 0.309858 6C 2px -0.693297 -0.167869 -0.275436 -0.590034 -0.176127 0.094293 6C 2py -0.045904 0.340000 0.435987 0.448171 0.747654 -0.482222 6C 3pz 0.213913 -0.107264 0.379668 0.016171 0.817109 0.082212 6C 3px -0.231954 0.011321 0.516346 -0.118845 0.748866 -0.296588 6C 3py -0.207769 -0.127109 -0.584145 0.109904 -0.747282 0.153085 6C 1dz2 0.096046 -0.024858 -0.113280 0.005990 -0.139971 0.015751 6C 1dxz -0.259481 -0.020153 0.375045 -0.076869 -0.072709 -0.000470 6C 1dyz -0.057354 -0.080572 -0.017243 -0.305685 -0.200146 0.063594 6C 1dx2y2 -0.068985 -0.082923 0.105611 -0.240341 0.128957 0.066121 6C 1dxy -0.102985 0.015592 0.356391 -0.156276 0.026867 0.006078 6C 2dz2 -0.196201 0.088206 0.194296 -0.049020 0.612099 -0.169114 6C 2dxz 0.494053 -0.037683 -0.398193 -0.006197 0.173277 0.220449 6C 2dyz 0.328843 0.178960 0.211525 0.500529 0.813940 -0.186465 6C 2dx2y2 0.286493 0.167819 0.064774 0.359684 -0.231360 -0.105676 6C 2dxy -0.237499 -0.034726 -0.373710 0.021120 0.202820 -0.079246 6C 1f0 0.054874 -0.029514 -0.154686 0.001730 -0.033762 0.056785 6C 1f+1 -0.065785 0.013525 0.101119 -0.060286 -0.110462 -0.027515 6C 1f-1 -0.086599 0.004721 0.091569 -0.055370 -0.074504 -0.037907 6C 1f+2 -0.076513 -0.019369 0.043848 0.023406 -0.045613 0.014756 6C 1f-2 0.092528 0.042710 -0.092085 0.098120 0.145084 0.007872 6C 1f+3 0.047177 -0.011029 -0.140414 0.044830 -0.233780 0.021763 6C 1f-3 0.042082 0.003456 -0.040699 -0.003521 0.192785 0.042039 7C 1s -0.004284 -0.005794 0.001201 -0.000063 0.002257 0.007432 7C 2s -0.015580 -0.017140 0.003439 -0.000182 0.003916 0.026492 7C 3s 0.227576 -0.330240 0.160424 0.074973 0.615781 -0.476070 7C 4s -0.677209 2.278256 -0.912186 -0.430463 -2.821776 1.631241 7C 5s 0.606098 1.348549 -0.180791 -0.305894 -1.622023 -0.574213 7C 1pz 0.034783 0.040624 0.023763 -0.016592 -0.017313 -0.085018 7C 1px -0.005370 -0.117609 -0.018447 0.027003 0.003771 -0.053738 7C 1py 0.025084 -0.020067 0.016363 -0.014835 0.004469 -0.066498 7C 2pz -0.026537 0.825097 -0.603075 -0.173017 0.454127 1.054096 7C 2px -0.135190 0.656427 0.409850 -0.306116 0.211546 0.679591 7C 2py -0.062128 0.727289 -0.225616 -0.173895 0.385679 0.887296 7C 3pz 0.566119 -0.050279 -0.364760 -0.041190 0.858798 -0.327314 7C 3px 0.145396 -0.096822 0.249242 -0.038999 0.338523 -0.707970 7C 3py 0.437234 -0.157369 -0.063405 -0.073988 0.215893 -0.523739 7C 1dz2 0.024042 -0.223704 0.040618 0.035160 0.061657 -0.066403 7C 1dxz -0.260164 0.107837 -0.115048 0.047889 0.016782 0.156163 7C 1dyz -0.224583 -0.329124 0.044305 0.119931 -0.004881 -0.019012 7C 1dx2y2 -0.261773 0.027430 -0.143451 0.068359 0.310698 -0.034062 7C 1dxy 0.335391 -0.078903 0.250404 -0.119082 0.058381 0.201160 7C 2dz2 -0.171350 0.509873 -0.009954 -0.151620 -0.017532 0.554051 7C 2dxz 0.384109 -0.254722 -0.240349 0.047107 0.255077 -0.398312 7C 2dyz 0.173435 0.732930 -0.220424 -0.194898 -0.143250 0.322780 7C 2dx2y2 0.241374 -0.053744 0.167295 -0.084766 -0.755896 -0.174251 7C 2dxy -0.301167 0.207626 -0.537984 0.220538 -0.498955 -0.408071 7C 1f0 0.153171 0.024961 0.052773 -0.060465 -0.016719 0.014678 7C 1f+1 -0.094810 0.124394 -0.083472 -0.001568 -0.179036 0.046652 7C 1f-1 -0.048371 -0.005249 -0.062501 0.035930 0.032324 -0.145492 7C 1f+2 -0.060856 -0.099169 0.011080 0.019223 0.138413 -0.023710 7C 1f-2 0.107957 0.048228 0.042625 -0.025907 -0.003184 0.089893 7C 1f+3 0.166706 -0.048366 0.090515 -0.041393 -0.059025 0.021313 7C 1f-3 0.017609 0.082449 -0.011587 0.004689 -0.155392 -0.046504 8C 1s 0.002611 0.008213 -0.007308 0.032616 -0.005031 -0.010647 8C 2s 0.007740 0.023821 -0.017941 0.091183 -0.011946 -0.032193 8C 3s -0.073294 -0.111588 -0.214914 -0.054122 -0.463678 0.237427 8C 4s 0.220461 0.059822 1.448967 -1.580396 2.619369 -0.456877 8C 5s -0.267505 0.224602 -1.120670 1.204070 -0.765348 0.141094 8C 1pz -0.011855 0.017398 0.070944 -0.032309 0.118973 -0.042711 8C 1px 0.011133 -0.006144 0.073128 -0.051600 0.007178 -0.000068 8C 1py -0.020677 -0.025093 -0.050469 0.022586 -0.113481 0.072452 8C 2pz -0.126487 -0.371100 -0.316638 -0.477544 -1.059821 0.421859 8C 2px -0.188887 -0.045891 -0.109872 -0.224571 -0.200807 0.018424 8C 2py 0.180798 0.473157 0.270904 1.188389 1.175403 -0.817829 8C 3pz -0.027449 -0.001686 0.058424 -0.063883 -0.212032 -0.062930 8C 3px 0.152080 0.050575 -0.012284 0.067953 0.066065 -0.037370 8C 3py -0.029411 0.051417 -0.225899 0.081776 -0.075403 0.077371 8C 1dz2 -0.012857 -0.058413 -0.095939 0.086072 -0.190311 0.009028 8C 1dxz -0.086912 -0.025330 0.076999 -0.039055 -0.149543 0.018025 8C 1dyz -0.007639 -0.020803 -0.001502 -0.080738 -0.009674 0.028148 8C 1dx2y2 0.083459 -0.009025 -0.002873 -0.023063 0.213431 0.012143 8C 1dxy -0.160364 0.007811 0.129712 -0.102134 -0.132585 0.004493 8C 2dz2 -0.034401 0.004044 0.120732 -0.237124 0.198743 0.079894 8C 2dxz 0.224833 0.182489 -0.058265 0.425143 0.387723 -0.212231 8C 2dyz 0.000480 -0.090007 0.034468 -0.356136 -0.335924 0.188400 8C 2dx2y2 -0.063255 -0.180701 -0.097886 -0.335798 -0.524211 0.198664 8C 2dxy -0.008950 -0.075247 -0.213383 -0.119469 -0.105316 0.031739 8C 1f0 -0.010610 0.048579 0.026527 0.160944 0.080865 -0.048573 8C 1f+1 0.070618 -0.001690 -0.058888 0.045094 0.069626 0.012876 8C 1f-1 0.013145 0.024920 -0.102700 0.074795 -0.066883 -0.019359 8C 1f+2 0.026163 -0.035458 -0.046092 -0.060149 0.066708 0.043624 8C 1f-2 -0.030682 0.051287 0.093141 0.019588 0.037255 -0.057055 8C 1f+3 -0.063987 -0.032735 0.058484 -0.165143 -0.055652 0.019500 8C 1f-3 -0.017096 -0.031891 -0.059618 0.042251 -0.006803 0.030942 9C 1s -0.008437 -0.028397 0.005426 0.009067 -0.004447 -0.000497 9C 2s -0.022070 -0.081139 0.015727 0.026066 -0.012136 -0.006677 9C 3s -0.103193 0.321251 -0.149951 -0.090963 -0.139382 0.476106 9C 4s 0.960116 0.031261 0.511436 -0.120145 0.782519 -2.175836 9C 5s -1.238084 -1.158331 0.403722 0.383726 -0.225738 0.993039 9C 1pz 0.006193 -0.058395 0.024104 0.022592 0.063071 -0.172763 9C 1px 0.031861 0.031120 -0.036068 0.005590 -0.018862 0.001322 9C 1py 0.082391 -0.029781 0.034237 0.006061 0.016599 -0.093704 9C 2pz 0.109979 1.795724 -0.656395 -0.343749 -0.253820 1.114415 9C 2px -0.062137 0.120314 0.091721 -0.059681 0.069635 -0.140515 9C 2py -0.034591 1.040156 -0.434758 -0.392220 0.057830 0.714734 9C 3pz 0.245929 0.152595 -0.057686 -0.036346 -0.112685 -0.149214 9C 3px 0.019471 -0.075633 -0.053316 0.028970 0.009599 -0.225110 9C 3py 0.090918 0.097582 -0.113997 -0.047038 0.100131 -0.106814 9C 1dz2 0.082639 0.015872 0.061778 0.017795 -0.042617 0.111105 9C 1dxz -0.063665 0.003721 -0.072194 0.014649 0.081837 -0.036996 9C 1dyz -0.086754 -0.107594 -0.032714 0.016552 0.043557 -0.084647 9C 1dx2y2 -0.052866 -0.076060 -0.036937 0.049110 0.217261 -0.193409 9C 1dxy 0.108964 -0.039420 0.034857 0.033469 0.116534 -0.072664 9C 2dz2 -0.144331 -0.540179 0.190212 0.073364 0.096459 -0.286372 9C 2dxz 0.116388 -0.272700 0.101287 0.118841 -0.221593 -0.232139 9C 2dyz 0.010841 -0.515971 0.255665 0.148691 -0.043848 -0.057240 9C 2dx2y2 0.145996 0.498695 -0.066462 -0.125523 -0.224660 0.556049 9C 2dxy -0.142201 -0.123615 -0.138548 -0.024525 0.113235 -0.017009 9C 1f0 -0.022186 -0.047616 -0.033626 0.017583 0.108613 -0.066379 9C 1f+1 0.082571 0.087982 0.002170 -0.037457 0.119117 0.105129 9C 1f-1 0.092940 0.150913 -0.025954 -0.044820 -0.023729 -0.046917 9C 1f+2 0.045214 0.013637 0.027467 -0.021911 0.096048 0.026590 9C 1f-2 -0.094500 0.065221 -0.041855 0.010879 0.000839 0.137754 9C 1f+3 -0.036244 0.183385 -0.086577 -0.020295 0.008236 0.007458 9C 1f-3 -0.008917 0.017737 -0.030445 0.007740 0.023872 -0.072786 10H 1s -0.004602 0.034531 0.011328 -0.003737 0.007172 -0.158870 10H 2s -0.093718 1.202364 0.105994 -0.319449 0.243367 -0.168456 10H 3s 0.076875 -0.283000 -0.022760 0.077330 -0.000492 -0.245715 10H 1pz -0.085051 0.382542 0.027050 -0.086024 0.051557 -0.076341 10H 1px 0.010966 -0.395625 -0.023291 0.120151 -0.076015 -0.113776 10H 1py 0.067057 0.140501 0.083411 -0.025974 0.085082 0.002399 11H 1s -0.055656 -0.066792 -0.061469 0.009355 -0.074515 -0.046868 11H 2s -0.214906 0.871913 0.010490 -0.094720 -0.110879 0.704178 11H 3s 0.080123 -0.326213 -0.028801 0.074916 -0.065688 -0.115274 11H 1pz -0.085317 0.288304 -0.014880 -0.032444 -0.115639 0.259645 11H 1px 0.012775 0.255643 0.053720 -0.038420 -0.005673 0.232506 11H 1py 0.021931 -0.306692 -0.028295 0.081196 -0.078364 0.064092 12H 1s 0.123072 -0.106605 0.039823 0.024235 0.043863 0.026891 12H 2s -0.170405 0.720323 0.124853 -0.337129 0.245283 0.724523 12H 3s 0.130660 -0.313097 -0.007942 0.085704 -0.016317 -0.103855 12H 1pz -0.017461 -0.200837 -0.035432 0.033838 0.026847 0.155763 12H 1px -0.075207 0.115240 -0.003097 -0.051991 0.005919 0.209554 12H 1py -0.125605 0.393054 0.024986 -0.157027 0.098782 0.250919 13H 1s 0.023313 -0.026261 0.006431 0.011337 -0.093564 -0.039896 13H 2s 0.042348 -0.428522 -0.247644 -1.219493 0.035124 -0.446170 13H 3s 0.070438 0.057086 0.125532 0.297528 -0.194678 0.019468 13H 1pz -0.041144 -0.109394 -0.015895 -0.371169 0.053247 -0.129985 13H 1px -0.024799 0.112114 0.124240 0.368563 -0.126062 0.071430 13H 1py -0.006951 0.106575 0.094554 0.289341 0.026206 0.106610 14H 1s -0.036075 0.057588 0.140684 0.144860 -0.035226 0.011587 14H 2s -0.029388 -0.190406 -0.377572 -0.836163 0.329273 -0.060216 14H 3s 0.012813 0.099187 0.198800 0.318015 -0.142399 0.008477 14H 1pz 0.036083 -0.066475 -0.138068 -0.269758 0.032969 -0.024672 14H 1px -0.001713 -0.088362 -0.217234 -0.406256 0.169195 -0.024231 14H 1py -0.017875 -0.083307 0.017211 -0.148920 -0.001459 -0.117228 15H 1s 0.022874 -0.003231 -0.023654 0.056587 0.019391 0.016257 15H 2s -0.063253 -0.137448 -0.568100 -1.168094 0.539205 -0.080440 15H 3s 0.036350 0.040359 0.155898 0.353880 -0.113962 0.062747 15H 1pz 0.016785 0.074301 0.073321 0.361337 -0.040669 0.124629 15H 1px -0.065196 0.025318 0.009126 -0.036865 0.104907 0.021245 15H 1py 0.018084 0.080612 0.244574 0.463766 -0.230166 -0.001157 16H 1s -0.015389 -0.001297 0.003628 -0.017952 -0.002464 0.029373 16H 2s -0.177698 -0.099376 -0.065539 0.275054 -0.049211 0.435659 16H 3s -0.001169 0.039516 0.031496 -0.040141 -0.013867 0.036590 16H 1pz -0.066800 -0.051629 -0.036478 0.116600 -0.016401 0.204661 16H 1px 0.000537 0.008164 0.010070 0.000140 -0.011997 0.037769 16H 1py -0.025351 0.010285 -0.017768 0.012351 0.012001 0.019668 17H 1s 0.013726 -0.007946 -0.004353 0.011842 -0.005442 0.002230 17H 2s -0.070943 -0.281069 -0.095757 0.264696 -0.136325 0.594896 17H 3s 0.059137 0.053814 0.015084 -0.027990 -0.015937 -0.059669 17H 1pz 0.035881 0.079162 0.022525 -0.091852 0.044582 -0.213140 17H 1px 0.026837 0.091507 0.031826 -0.056116 0.042908 -0.131466 17H 1py -0.007483 -0.051921 -0.027583 0.041379 -0.032674 0.076848 18H 1s 0.015300 0.005264 -0.006130 -0.011551 0.004271 0.001954 18H 2s -0.024576 0.287902 -0.135318 -0.259774 -0.052631 0.554360 18H 3s 0.048848 -0.065759 0.020446 0.026124 0.033246 -0.048674 18H 1pz -0.021969 0.087341 -0.036164 -0.092085 -0.024315 0.200562 18H 1px -0.010737 0.092724 -0.042069 -0.053395 0.001907 0.121722 18H 1py -0.001297 -0.048636 0.032912 0.036631 -0.009389 -0.066161 19H 1s -0.014316 0.004824 0.005224 0.018047 -0.006550 0.023453 19H 2s -0.162649 0.136153 -0.090941 -0.269164 -0.094409 0.423642 19H 3s -0.005539 -0.036109 0.038516 0.037323 0.003109 0.032066 19H 1pz 0.058128 -0.064836 0.047623 0.113438 0.050516 -0.193598 19H 1px 0.000476 0.007276 -0.010420 0.000905 0.000729 -0.033199 19H 1py 0.029435 0.004029 0.018044 0.012954 0.018484 -0.020883 20H 1s 0.022793 -0.004003 -0.029690 -0.053800 -0.020628 -0.009146 20H 2s -0.006656 0.106192 -0.484057 1.187631 -0.482102 -0.233998 20H 3s 0.018962 -0.036610 0.130353 -0.358908 0.090284 0.072846 20H 1pz 0.007822 0.069913 -0.050237 0.363201 -0.000550 -0.108540 20H 1px 0.069495 0.009934 -0.013584 -0.039230 0.105779 0.007322 20H 1py 0.008812 0.064598 -0.210757 0.470773 -0.215401 -0.080806 21H 1s -0.052319 -0.038439 0.134986 -0.152853 0.029877 0.035073 21H 2s 0.027906 0.165986 -0.322463 0.844380 -0.299881 -0.042740 21H 3s -0.013599 -0.085557 0.177219 -0.326163 0.133091 0.040902 21H 1pz -0.055732 -0.048491 0.121613 -0.275693 0.027462 0.005452 21H 1px -0.025363 -0.070481 0.190466 -0.411197 0.153481 0.040022 21H 1py -0.003310 -0.084324 -0.022780 -0.150393 -0.038701 0.124955 22H 1s 0.028314 0.021077 0.003709 -0.010120 0.100046 -0.016091 22H 2s 0.161036 0.386198 -0.185029 1.226510 0.095466 -0.404021 22H 3s 0.052760 -0.061295 0.106027 -0.302965 0.180268 0.061143 22H 1pz 0.010136 -0.112020 -0.006507 -0.366728 0.013319 0.111981 22H 1px 0.056703 0.093723 -0.103080 0.372970 -0.097988 -0.099076 22H 1py 0.037629 0.095459 -0.082349 0.297447 0.054403 -0.096216 23H 1s 0.139136 0.080385 0.032967 -0.032407 -0.053959 0.029955 23H 2s -0.309780 -0.651683 0.202828 0.332012 -0.441943 0.452524 23H 3s 0.188205 0.276288 -0.037299 -0.090970 0.042947 -0.043727 23H 1pz -0.024539 -0.199271 0.051918 0.033088 0.076206 -0.141761 23H 1px 0.094926 0.088667 -0.006673 -0.052212 0.064341 -0.146811 23H 1py 0.200291 0.353812 -0.064093 -0.159260 0.165966 -0.143869 24H 1s -0.040975 0.071948 -0.069400 -0.002303 0.086787 -0.022206 24H 2s -0.381020 -0.788129 0.077402 0.099483 -0.091078 0.475371 24H 3s 0.141498 0.295529 -0.055869 -0.076581 0.090777 -0.038841 24H 1pz 0.136833 0.256914 -0.008066 -0.035002 -0.036122 -0.200246 24H 1px 0.042247 0.247879 -0.075837 -0.034266 0.062730 -0.162029 24H 1py -0.081499 -0.290325 0.054538 0.080218 -0.051215 -0.100388 25H 1s -0.009422 -0.034873 0.013968 0.003904 0.041134 -0.125323 25H 2s -0.336621 -1.143153 0.212940 0.318668 -0.168695 -0.301875 25H 3s 0.135202 0.252901 -0.047031 -0.077663 0.071216 -0.169915 25H 1pz 0.161734 0.354631 -0.058171 -0.090002 0.021465 0.108469 25H 1px -0.090437 -0.378253 0.061138 0.118680 -0.102975 0.027167 25H 1py -0.035590 0.141129 -0.096463 -0.016618 0.080616 0.022328 26O 1s -0.003177 -0.002958 -0.000929 0.001204 0.004820 -0.005080 26O 2s -0.012028 -0.010191 -0.002345 0.004357 0.016942 -0.014618 26O 3s 0.102389 0.055046 -0.018493 -0.037837 -0.033075 0.062660 26O 4s -0.339522 -0.153434 0.255750 0.134612 -0.499076 0.336624 26O 5s 0.720794 0.374297 0.212975 0.074691 -1.496534 -1.257265 26O 1pz -0.113251 0.002670 -0.054116 -0.041367 -0.043269 0.072197 26O 1px -0.017788 0.015741 0.031320 0.022087 -0.217961 0.066264 26O 1py 0.073339 -0.038916 0.060283 0.017665 -0.011945 0.144666 26O 2pz 0.109143 0.005082 0.084723 0.057942 0.145630 -0.090024 26O 2px 0.003493 -0.101173 -0.224046 -0.079878 0.822174 -0.200512 26O 2py -0.035436 0.051464 -0.104872 -0.023386 0.240024 -0.236711 26O 3pz -0.151509 -0.226004 -0.269813 -0.030886 -0.147401 0.519206 26O 3px -0.068101 -0.095314 -0.407446 -0.077529 0.360911 0.608126 26O 3py 0.458427 -0.138418 0.007433 0.150284 0.306580 0.714151 26O 1dz2 -0.001761 0.004554 -0.006002 -0.005157 0.002556 -0.006667 26O 1dxz 0.001437 0.001209 -0.001019 -0.001685 -0.000278 -0.006867 26O 1dyz 0.006694 0.007937 0.000802 0.000477 -0.001687 -0.008609 26O 1dx2y2 -0.004472 0.001098 0.000398 0.000963 -0.011757 -0.000472 26O 1dxy 0.000314 0.001341 -0.001062 -0.001079 -0.010858 -0.003455 26O 2dz2 -0.002624 0.001377 -0.078399 -0.029638 0.016251 -0.040578 26O 2dxz 0.046235 0.056528 -0.026747 -0.011988 0.025863 -0.116753 26O 2dyz 0.086843 0.085953 -0.017386 -0.015236 0.027185 -0.128901 26O 2dx2y2 0.025932 0.084033 0.069393 0.024648 -0.135077 -0.006736 26O 2dxy -0.045058 0.066461 -0.019685 -0.036729 -0.061838 -0.135157 26O 1f0 0.019732 -0.009186 0.006164 0.006800 -0.001030 -0.010304 26O 1f+1 -0.006153 0.009262 -0.002806 -0.003818 -0.015640 -0.007199 26O 1f-1 -0.023243 -0.008171 -0.010250 -0.001942 -0.011641 -0.005346 26O 1f+2 -0.036138 0.014011 -0.008864 -0.006434 0.000816 0.016723 26O 1f-2 -0.013807 0.005327 -0.006858 -0.006036 0.010773 0.004549 26O 1f+3 0.052125 0.003254 0.037805 0.011053 0.015276 0.026093 26O 1f-3 -0.017263 0.002074 -0.005505 -0.004111 -0.023102 -0.006493 27O 1s -0.000413 -0.008996 -0.000632 0.000895 -0.001726 0.002803 27O 2s -0.003212 -0.031325 -0.003414 0.002391 -0.003897 0.010364 27O 3s 0.053933 0.214714 0.048016 -0.027709 0.088220 -0.076152 27O 4s -0.338274 -0.219223 -0.283367 0.229788 -0.392896 0.212989 27O 5s 0.150719 0.189549 0.787915 0.376125 -1.783474 -0.934713 27O 1pz -0.041698 0.066066 0.037089 0.041474 0.027214 0.038010 27O 1px -0.019738 0.110870 0.012770 0.099097 -0.154320 0.010505 27O 1py -0.050549 -0.016805 0.137863 0.057113 -0.050371 -0.016573 27O 2pz -0.008524 -0.097746 0.013346 -0.071513 -0.035294 -0.103327 27O 2px 0.129628 -0.238453 0.021041 -0.264386 0.656265 0.055299 27O 2py 0.062688 0.044646 -0.158350 -0.061560 -0.005955 -0.014807 27O 3pz -0.179192 0.211757 0.361864 0.087435 -0.024767 -0.076391 27O 3px 0.274913 0.264828 0.082482 -0.029942 0.638663 0.301832 27O 3py -0.260359 -0.055513 0.237579 -0.064698 -0.393084 -0.139704 27O 1dz2 -0.004623 0.000431 0.004452 -0.001579 0.008780 0.004906 27O 1dxz -0.000577 0.000680 0.003778 0.000982 0.002287 -0.001156 27O 1dyz -0.003009 0.000230 -0.003962 0.003679 0.008673 0.003144 27O 1dx2y2 -0.002068 0.006823 0.000398 0.008982 -0.009863 0.004142 27O 1dxy -0.001319 -0.001610 -0.004221 -0.001763 0.008535 0.001845 27O 2dz2 -0.037331 0.037645 0.039682 0.041966 0.091635 0.055426 27O 2dxz 0.077222 -0.014606 -0.026464 0.022520 -0.012614 0.029721 27O 2dyz -0.055042 0.016317 -0.047428 0.019277 0.086914 0.038009 27O 2dx2y2 -0.038965 0.035892 -0.016910 0.032182 -0.116167 0.005068 27O 2dxy -0.021285 0.031010 -0.075235 0.078731 0.066029 0.098724 27O 1f0 0.021131 -0.007389 -0.026551 -0.004897 -0.003443 -0.000086 27O 1f+1 0.000562 0.001726 -0.001859 0.006261 -0.017962 -0.004191 27O 1f-1 0.006298 -0.000826 -0.013745 -0.012158 0.005446 0.001294 27O 1f+2 -0.025571 0.006014 0.035634 -0.007052 0.003693 -0.007344 27O 1f-2 0.003486 -0.006661 -0.029067 -0.011903 0.006380 0.003510 27O 1f+3 0.012170 -0.008509 -0.034460 -0.014556 -0.006217 -0.003539 27O 1f-3 0.006217 -0.007748 -0.032319 -0.023378 0.023125 -0.002841 28O 1s -0.005011 0.022389 0.005136 -0.005404 -0.003993 -0.011333 28O 2s -0.017590 0.076556 0.016029 -0.018664 -0.014527 -0.037477 28O 3s 0.115450 -0.587369 -0.086936 0.145112 0.160032 0.317983 28O 4s -0.109740 1.218382 -0.060242 -0.319607 -0.475034 -0.967929 28O 5s 0.494895 -0.176476 -0.289733 -0.048503 -1.114527 -0.557265 28O 1pz 0.110642 -0.027936 0.054423 0.031195 0.079788 -0.156557 28O 1px 0.015595 0.043801 0.053112 0.000102 0.099319 0.057055 28O 1py -0.047331 0.066051 -0.045019 -0.012507 0.042794 -0.164134 28O 2pz -0.202219 -0.093141 -0.020118 0.002811 0.058807 0.518699 28O 2px 0.066525 0.159039 -0.162672 -0.067466 -0.379195 -0.417884 28O 2py -0.016890 -0.107227 0.037540 0.000324 -0.002096 0.322319 28O 3pz 0.231577 -0.149808 0.483603 0.088673 0.494579 -0.732072 28O 3px 0.410026 0.149805 -0.253598 -0.072673 -0.452881 -0.080262 28O 3py -0.223815 0.085371 -0.115738 -0.019910 0.332985 -0.580125 28O 1dz2 0.004256 0.003272 0.003582 -0.002278 -0.002210 -0.003342 28O 1dxz -0.000575 0.001883 0.001730 -0.000284 0.002101 0.010670 28O 1dyz 0.000461 0.006553 0.001495 -0.001866 -0.001856 -0.004178 28O 1dx2y2 0.004844 -0.002495 0.002829 0.002002 -0.004117 -0.000960 28O 1dxy 0.000422 -0.000126 0.000575 -0.001047 0.001404 0.007228 28O 2dz2 -0.014441 0.028489 0.034558 -0.028182 0.049836 0.098376 28O 2dxz 0.027949 0.045645 0.064955 -0.003036 0.060229 -0.060848 28O 2dyz 0.036489 0.070694 0.062792 -0.011612 -0.020735 -0.003922 28O 2dx2y2 0.078373 -0.045509 -0.011973 0.017690 -0.135144 -0.013223 28O 2dxy -0.049719 0.021298 -0.027905 -0.015529 0.019441 -0.026741 28O 1f0 0.035422 0.017602 0.017526 0.002974 0.005052 -0.001664 28O 1f+1 -0.025940 -0.008938 -0.012091 -0.001180 -0.020118 -0.009356 28O 1f-1 -0.012868 0.003959 -0.001111 -0.001730 0.014463 0.000883 28O 1f+2 0.004157 -0.021999 0.002429 0.008276 0.006203 0.015511 28O 1f-2 0.035699 -0.016082 0.015274 0.012897 -0.017115 0.009955 28O 1f+3 0.007912 -0.027096 0.006452 0.007682 -0.003024 0.013086 28O 1f-3 0.023042 -0.011467 0.015604 0.009105 -0.010459 -0.005287 29O 1s -0.010627 -0.010655 -0.010322 0.010343 -0.007759 0.030403 29O 2s -0.035948 -0.036005 -0.034953 0.034098 -0.025951 0.101455 29O 3s 0.231380 0.227233 0.226891 -0.196851 0.164372 -0.628230 29O 4s -0.348569 -0.385798 -0.327545 0.276589 -0.226445 0.903368 29O 5s 0.491239 0.791686 0.361616 -0.697501 0.294421 -1.543935 29O 1pz 0.011249 0.015036 0.030642 -0.024792 0.027645 -0.076183 29O 1px -0.059510 -0.008977 -0.058433 0.046024 -0.055646 0.212608 29O 1py 0.039921 0.079529 0.031939 -0.032476 0.010782 -0.071820 29O 2pz -0.042426 -0.006469 -0.071290 0.086168 -0.015310 0.171459 29O 2px 0.144437 0.107291 0.133472 -0.159309 0.135507 -0.536875 29O 2py -0.119102 -0.214334 -0.103659 0.146755 -0.054511 0.302543 29O 3pz -0.141609 0.173554 0.140749 -0.092561 -0.006010 -0.183934 29O 3px -0.224258 -0.195923 -0.125034 0.129919 -0.066750 0.329185 29O 3py 0.043577 0.006075 0.106196 0.127594 -0.027147 0.232263 29O 1dz2 -0.004679 -0.000729 0.000746 0.002496 -0.000564 0.002823 29O 1dxz 0.003500 -0.005149 -0.004695 0.003357 0.001496 0.006715 29O 1dyz 0.004000 0.001521 0.000463 0.000748 0.002815 -0.000143 29O 1dx2y2 0.005055 0.004170 0.002728 -0.003361 0.001001 -0.004486 29O 1dxy -0.001705 0.001400 -0.005970 -0.000499 0.000980 -0.002502 29O 2dz2 0.011149 0.000069 0.025031 -0.013147 -0.004574 -0.044132 29O 2dxz 0.018132 0.012407 -0.004940 -0.010232 0.033052 -0.014405 29O 2dyz 0.052586 -0.022011 -0.000935 -0.008833 -0.001553 -0.023891 29O 2dx2y2 0.016981 0.021847 0.012104 -0.010107 0.001186 0.010839 29O 2dxy -0.029399 -0.053960 -0.053378 0.057603 -0.034439 0.139630 29O 1f0 -0.001352 -0.004634 -0.002336 0.005558 -0.002623 0.008981 29O 1f+1 -0.000488 0.001990 0.002054 -0.002136 -0.000118 -0.005509 29O 1f-1 -0.001350 -0.001143 -0.001315 0.006435 -0.000011 0.004343 29O 1f+2 0.003719 -0.000517 0.000104 0.000904 0.001536 -0.000842 29O 1f-2 -0.002765 -0.001494 0.001459 0.000875 -0.001958 0.007230 29O 1f+3 -0.001132 -0.001422 0.001726 0.003127 0.000308 0.001842 29O 1f-3 0.003556 0.000699 0.003377 -0.000293 0.000037 -0.000410 30O 1s -0.003178 0.003950 -0.003449 -0.009818 -0.017462 -0.012308 30O 2s -0.009954 0.014253 -0.012709 -0.034148 -0.059333 -0.040964 30O 3s 0.027750 -0.087061 0.097354 0.271315 0.491362 0.280407 30O 4s 0.244687 0.017956 -0.162441 -0.618095 -1.170385 -0.387415 30O 5s 0.562812 -0.256432 0.335578 0.188460 -0.674484 -0.025899 30O 1pz 0.064200 -0.068570 -0.040330 -0.079574 -0.081539 -0.017483 30O 1px -0.069339 0.011687 0.011921 -0.055988 0.058348 -0.096598 30O 1py 0.023650 0.055974 -0.142163 -0.064913 0.000570 0.011074 30O 2pz -0.167594 0.157736 -0.032737 0.169009 0.353927 0.095578 30O 2px 0.302697 -0.112834 -0.036906 -0.057140 -0.369134 0.145965 30O 2py 0.074671 -0.141159 0.212112 0.063203 -0.216260 -0.029944 30O 3pz 0.002072 -0.031738 -0.278196 -0.173512 0.064742 -0.172614 30O 3px 0.330435 0.043600 0.199131 -0.048597 -0.417448 -0.079403 30O 3py 0.399755 0.150138 -0.449940 -0.113131 -0.335080 0.349620 30O 1dz2 0.003311 0.000415 -0.003639 -0.001043 -0.001381 -0.002708 30O 1dxz 0.000092 0.002723 -0.003645 -0.002703 0.002902 -0.004895 30O 1dyz -0.001702 0.004287 -0.001849 0.003716 0.007039 0.006321 30O 1dx2y2 0.002988 0.003317 -0.002143 0.002524 0.000508 0.004147 30O 1dxy 0.004328 -0.001235 0.001651 0.004029 -0.003481 -0.000305 30O 2dz2 -0.027815 -0.007656 0.029439 0.008742 0.038390 -0.056211 30O 2dxz -0.004073 0.016259 -0.074700 -0.064463 0.026114 -0.027384 30O 2dyz 0.025307 0.014774 -0.012423 0.049288 -0.000313 0.065639 30O 2dx2y2 0.102261 0.003691 -0.002201 0.058529 -0.119397 0.043152 30O 2dxy 0.082650 0.015362 -0.069796 0.018308 -0.017982 0.091470 30O 1f0 0.014715 -0.006931 -0.014983 -0.014928 -0.019043 -0.003551 30O 1f+1 -0.022522 0.005894 0.037198 0.022428 -0.007517 0.001888 30O 1f-1 -0.018131 0.010656 0.037042 0.015265 -0.004452 0.000674 30O 1f+2 0.001995 0.006447 -0.003941 0.023864 -0.003327 0.006253 30O 1f-2 -0.000920 -0.001774 -0.007173 -0.005754 0.017451 -0.000059 30O 1f+3 0.007876 0.004731 -0.018511 0.019591 -0.006828 0.003191 30O 1f-3 -0.003361 0.008959 0.002966 0.018932 0.001318 0.013321 31O 1s -0.003729 -0.003280 -0.002536 0.010137 0.020344 -0.005732 31O 2s -0.011980 -0.012177 -0.009459 0.035198 0.068881 -0.018643 31O 3s 0.038186 0.082030 0.070927 -0.276723 -0.553297 0.113388 31O 4s 0.261224 -0.073300 -0.103703 0.613167 1.231146 -0.078205 31O 5s 0.598013 0.133615 0.336149 -0.221674 0.694836 -0.077335 31O 1pz -0.083302 -0.049826 0.040968 -0.081882 -0.080823 0.016097 31O 1px 0.069155 -0.003886 -0.013026 -0.058096 0.026525 0.086334 31O 1py -0.013223 0.068381 0.134943 -0.071399 0.002746 -0.010190 31O 2pz 0.209696 0.117790 0.037086 0.163438 0.366828 -0.069272 31O 2px -0.326248 -0.043044 0.026456 -0.046854 -0.309965 -0.163832 31O 2py -0.103059 -0.133896 -0.205737 0.077694 -0.218021 0.003456 31O 3pz -0.022727 -0.008919 0.280011 -0.195690 0.019544 0.136400 31O 3px -0.316857 0.102607 -0.212109 -0.026066 -0.430774 0.004870 31O 3py -0.363213 0.250691 0.423842 -0.120714 -0.214544 -0.411346 31O 1dz2 0.003243 -0.001320 -0.003601 0.001194 0.002138 -0.002279 31O 1dxz -0.000392 -0.002912 -0.003418 0.002865 -0.001140 -0.004356 31O 1dyz -0.002752 -0.003841 -0.001880 -0.003710 -0.008761 0.004899 31O 1dx2y2 0.002276 -0.003984 -0.002153 -0.002489 -0.001985 0.004170 31O 1dxy 0.004506 0.000438 0.001303 -0.004153 0.003340 0.000089 31O 2dz2 -0.026239 0.014561 0.026537 -0.008090 -0.020687 -0.065314 31O 2dxz -0.004923 -0.019669 -0.071854 0.069552 -0.018671 -0.009663 31O 2dyz 0.021602 -0.018797 -0.014695 -0.049803 -0.021946 0.060242 31O 2dx2y2 0.099789 -0.024460 -0.003807 -0.061621 0.100101 0.056166 31O 2dxy 0.078571 -0.035894 -0.068687 -0.018380 -0.010462 0.088179 31O 1f0 -0.016523 -0.002563 0.014184 -0.015430 -0.019424 0.000295 31O 1f+1 0.024281 -0.001524 -0.036312 0.024112 -0.006942 -0.002569 31O 1f-1 0.020887 0.004019 -0.037266 0.017456 -0.004398 -0.001123 31O 1f+2 0.000155 0.006824 0.005052 0.023719 -0.001976 -0.004822 31O 1f-2 0.000336 -0.001365 0.007312 -0.006352 0.016969 0.002530 31O 1f+3 -0.006382 0.007390 0.019813 0.018379 -0.005837 -0.003358 31O 1f-3 0.005762 0.007652 -0.002014 0.018997 0.005374 -0.011803 32O 1s -0.008807 0.012403 -0.011729 -0.009420 -0.002258 0.029560 32O 2s -0.029757 0.041906 -0.039644 -0.030957 -0.007484 0.098691 32O 3s 0.191462 -0.265156 0.255134 0.176098 0.043057 -0.612842 32O 4s -0.276213 0.442628 -0.371978 -0.245482 -0.071106 0.874855 32O 5s 0.341178 -0.871809 0.465120 0.664716 0.204826 -1.449859 32O 1pz -0.009462 0.014362 -0.032608 -0.021623 0.001722 0.076288 32O 1px 0.060965 -0.022014 0.062449 0.041566 0.015454 -0.209740 32O 1py -0.024032 0.084800 -0.040328 -0.029308 -0.013136 0.068868 32O 2pz 0.043092 -0.008467 0.074558 0.076944 0.042541 -0.164119 32O 2px -0.131207 0.136184 -0.153032 -0.149758 -0.041598 0.520607 32O 2py 0.079567 -0.229445 0.129631 0.137678 0.044746 -0.284962 32O 3pz 0.168011 0.132439 -0.160429 -0.088874 -0.062622 0.157592 32O 3px 0.184981 -0.235943 0.147192 0.114110 0.040911 -0.311155 32O 3py -0.036461 0.005499 -0.097290 0.139337 0.048341 -0.220670 32O 1dz2 -0.004599 0.001837 0.000474 -0.002444 -0.000446 0.003071 32O 1dxz 0.004275 0.004047 -0.005258 -0.003165 -0.003489 0.005107 32O 1dyz 0.003524 -0.002236 0.000447 -0.000965 -0.002833 -0.000132 32O 1dx2y2 0.004214 -0.004998 0.003277 0.002991 0.000426 -0.004171 32O 1dxy -0.001975 -0.001402 -0.005808 0.001002 -0.000120 -0.002594 32O 2dz2 0.010380 -0.002036 0.025270 0.010887 0.016731 -0.038532 32O 2dxz 0.015523 -0.017712 -0.002622 0.010730 -0.028194 -0.022952 32O 2dyz 0.056444 0.009408 -0.001781 0.008226 0.010709 -0.025782 32O 2dx2y2 0.011657 -0.025421 0.014924 0.008682 -0.005422 0.010521 32O 2dxy -0.020793 0.055902 -0.060869 -0.053235 -0.011006 0.128809 32O 1f0 0.000517 -0.004637 0.002910 0.005018 0.000146 -0.008520 32O 1f+1 0.000683 0.001951 -0.002360 -0.002205 -0.001867 0.005429 32O 1f-1 0.001226 -0.001675 0.002011 0.006692 0.001433 -0.004757 32O 1f+2 -0.003872 0.000353 -0.000044 0.000804 0.001125 0.001637 32O 1f-2 0.002443 -0.001990 -0.001344 0.000806 0.000333 -0.006781 32O 1f+3 0.000961 -0.001897 -0.001336 0.003282 0.000886 -0.001784 32O 1f-3 -0.003403 0.001050 -0.003362 0.000126 0.000031 0.000099 33O 1s -0.009604 -0.020497 0.006937 0.005187 0.006998 -0.005035 33O 2s -0.033259 -0.070054 0.022204 0.018030 0.024340 -0.015805 33O 3s 0.233434 0.544216 -0.133837 -0.142337 -0.240310 0.128113 33O 4s -0.343488 -1.174393 0.035288 0.329857 0.718991 -0.471505 33O 5s 0.565357 0.036195 -0.304343 0.047378 1.201089 -0.093437 33O 1pz -0.112426 -0.004936 -0.052117 0.036126 0.028696 0.156296 33O 1px 0.001301 0.041416 -0.058500 0.004229 0.108959 -0.009874 33O 1py 0.058273 0.056983 0.043945 -0.018907 -0.013257 0.163684 33O 2pz 0.184901 -0.139021 0.025845 -0.000338 0.204360 -0.386264 33O 2px -0.055674 0.184657 0.153664 -0.077424 -0.474076 0.187801 33O 2py -0.003170 -0.108592 -0.036968 0.004577 0.099989 -0.280379 33O 3pz -0.249439 -0.123927 -0.475233 0.122561 0.231940 0.865523 33O 3px -0.372803 0.248916 0.235692 -0.075905 -0.434392 -0.158764 33O 3py 0.230347 0.048475 0.118518 -0.039540 0.132926 0.628699 33O 1dz2 0.003626 -0.003942 0.004088 0.001905 0.003028 -0.002099 33O 1dxz -0.001232 -0.001447 0.002056 0.000144 -0.005287 0.007987 33O 1dyz -0.000693 -0.006447 0.001995 0.001739 0.002991 -0.002855 33O 1dx2y2 0.005274 0.001605 0.002514 -0.002258 0.003980 0.001027 33O 1dxy 0.000415 0.000138 0.000587 0.000933 -0.003508 0.005780 33O 2dz2 -0.020426 -0.021935 0.039391 0.025709 -0.076086 0.050451 33O 2dxz 0.015183 -0.046414 0.069747 -0.001506 -0.036664 -0.075697 33O 2dyz 0.020613 -0.071653 0.068775 0.005696 0.022335 -0.004995 33O 2dx2y2 0.088177 0.027013 -0.016247 -0.019662 0.128411 0.048968 33O 2dxy -0.050994 -0.013831 -0.027266 0.019258 -0.011032 -0.021979 33O 1f0 -0.030522 0.023153 -0.019380 0.005533 0.004688 0.002662 33O 1f+1 0.022964 -0.013173 0.013682 -0.002828 -0.022161 -0.000278 33O 1f-1 0.013497 0.001339 0.000838 -0.002312 0.013298 0.006750 33O 1f+2 -0.008273 -0.021026 -0.000651 0.008785 0.010457 -0.010552 33O 1f-2 -0.037483 -0.009580 -0.013815 0.015365 -0.011985 -0.018240 33O 1f+3 -0.012930 -0.025345 -0.004341 0.008675 0.001130 -0.012571 33O 1f-3 -0.024466 -0.007362 -0.014468 0.010974 -0.010822 -0.001170 34O 1s 0.001634 0.008834 -0.001226 -0.000863 0.000947 0.001751 34O 2s 0.003930 0.031049 -0.005442 -0.002166 0.001116 0.005999 34O 3s 0.005967 -0.218489 0.061044 0.024678 -0.067902 -0.050611 34O 4s -0.298148 0.272930 -0.300161 -0.211113 0.339911 0.181550 34O 5s 0.092422 -0.175868 0.792550 -0.429916 2.032857 -0.511484 34O 1pz 0.057231 0.051397 -0.040320 0.044297 0.039194 -0.056263 34O 1px 0.048359 0.100603 -0.015614 0.100464 -0.146275 -0.054185 34O 1py 0.046653 -0.035960 -0.133128 0.064226 -0.053165 -0.000900 34O 2pz -0.014345 -0.094880 -0.009601 -0.072988 -0.068501 0.132066 34O 2px -0.195227 -0.200806 -0.011403 -0.265610 0.664275 0.082150 34O 2py -0.051204 0.067212 0.148665 -0.067927 -0.015076 0.031820 34O 3pz 0.225066 0.143973 -0.373101 0.112101 -0.048823 0.006847 34O 3px -0.213323 0.304025 -0.096564 -0.008015 0.715822 -0.199884 34O 3py 0.239723 -0.124416 -0.241654 -0.058666 -0.409462 0.031764 34O 1dz2 -0.004525 0.000867 0.004462 0.001351 -0.010170 0.003683 34O 1dxz -0.000659 -0.000308 0.003705 -0.001191 -0.001780 -0.001151 34O 1dyz -0.003109 0.000156 -0.004367 -0.003251 -0.009324 0.000370 34O 1dx2y2 -0.003877 -0.006004 0.000400 -0.008997 0.008279 0.006147 34O 1dxy -0.000866 0.001598 -0.004313 0.002113 -0.008800 -0.000751 34O 2dz2 -0.045606 -0.025310 0.037852 -0.044178 -0.107264 0.046771 34O 2dxz 0.080144 -0.003718 -0.029950 -0.022301 0.002779 0.037775 34O 2dyz -0.058884 -0.006875 -0.049137 -0.014484 -0.095813 0.010766 34O 2dx2y2 -0.047949 -0.026986 -0.016194 -0.029453 0.109752 0.034166 34O 2dxy -0.030569 -0.029055 -0.080259 -0.072118 -0.095090 0.079908 34O 1f0 -0.022863 -0.000893 0.026928 -0.006438 -0.003521 0.003130 34O 1f+1 -0.000038 0.001895 0.001981 0.006178 -0.018962 0.000525 34O 1f-1 -0.006819 0.001428 0.013125 -0.012803 0.005725 -0.000953 34O 1f+2 0.026710 -0.001860 -0.036872 -0.005036 0.001381 0.003045 34O 1f-2 -0.005375 -0.003769 0.028932 -0.013790 0.007047 0.000161 34O 1f+3 -0.014154 -0.003414 0.033863 -0.016303 -0.007831 0.005622 34O 1f-3 -0.008510 -0.004020 0.031800 -0.025487 0.021524 0.006962 35O 1s -0.002295 0.003347 -0.001117 -0.001028 -0.002657 -0.006933 35O 2s -0.008964 0.011876 -0.002997 -0.003774 -0.010351 -0.021895 35O 3s 0.082719 -0.074196 -0.013484 0.036267 0.004976 0.081990 35O 4s -0.284508 0.240996 0.232370 -0.148349 0.376621 0.466936 35O 5s 0.622657 -0.502150 0.204274 -0.119560 1.745074 -0.228254 35O 1pz 0.106762 -0.017904 0.051401 -0.047928 -0.023474 -0.054801 35O 1px 0.021567 0.008226 -0.026466 0.024570 -0.183739 -0.157951 35O 1py -0.077104 -0.026152 -0.058586 0.026763 0.037975 -0.152514 35O 2pz -0.096472 0.023824 -0.080854 0.064895 0.115538 0.099171 35O 2px -0.022641 -0.077375 0.212621 -0.101070 0.705245 0.554668 35O 2py 0.045417 0.047850 0.098694 -0.036697 0.143274 0.350011 35O 3pz 0.102260 -0.234905 0.283592 -0.052584 0.011227 -0.438732 35O 3px 0.054241 -0.080853 0.401364 -0.110539 0.510840 -0.307353 35O 3py -0.462384 -0.048934 0.004515 0.173509 0.514688 -0.515284 35O 1dz2 -0.002458 -0.004460 -0.005312 0.005735 -0.000112 -0.008265 35O 1dxz 0.001123 -0.001562 -0.000874 0.001708 0.002354 -0.005515 35O 1dyz 0.004808 -0.009224 0.001277 -0.000759 0.004008 -0.005225 35O 1dx2y2 -0.004506 -0.000027 0.000260 -0.000908 0.011093 0.005218 35O 1dxy 0.000070 -0.001542 -0.001070 0.001054 0.011236 0.002482 35O 2dz2 -0.001614 -0.005807 -0.075563 0.035486 -0.000184 -0.055572 35O 2dxz 0.034512 -0.065044 -0.020864 0.011882 0.012111 -0.110850 35O 2dyz 0.067188 -0.104658 -0.010203 0.013732 0.011829 -0.105235 35O 2dx2y2 0.008073 -0.079291 0.071655 -0.031506 0.128178 0.052202 35O 2dxy -0.056010 -0.060326 -0.014313 0.040919 0.096813 -0.076662 35O 1f0 -0.021207 -0.005176 -0.005307 0.007981 -0.003130 0.004358 35O 1f+1 0.007473 0.007942 0.002173 -0.004121 -0.017206 0.000534 35O 1f-1 0.020351 -0.012001 0.011160 -0.003466 -0.013022 0.001177 35O 1f+2 0.037919 0.006569 0.008100 -0.008389 0.004625 -0.008667 35O 1f-2 0.014733 0.002962 0.006225 -0.007120 0.010865 0.002115 35O 1f+3 -0.049022 0.010903 -0.038609 0.015930 0.023611 -0.021124 35O 1f-3 0.016429 -0.001011 0.005744 -0.005054 -0.023771 -0.004129 492 493 494 495 496 497 3.05216 3.06211 3.07403 3.08782 3.09302 3.09702 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s -0.000786 -0.000987 0.001291 -0.000207 -0.000032 0.001747 0Rh 2s 0.006638 0.008227 -0.010519 0.004274 -0.000002 -0.008711 0Rh 3s -0.000638 -0.000864 0.001287 0.001367 -0.000192 0.005076 0Rh 4s -0.035192 -0.043501 0.056412 -0.022479 -0.000142 0.046336 0Rh 5s 0.072746 0.087991 -0.123076 0.054122 0.001218 -0.071949 0Rh 6s -0.055854 -0.060371 0.129283 -0.070472 -0.006193 -0.043572 0Rh 7s -0.128826 0.036024 0.347264 0.227954 -0.136135 0.594513 0Rh 8s -0.091129 -0.062583 0.462281 -0.120974 -0.167393 -0.226705 0Rh 1pz -0.000842 0.000277 0.004119 0.001299 -0.000757 -0.005595 0Rh 1px 0.000259 -0.000625 -0.008876 0.002400 0.002432 0.004152 0Rh 1py -0.001003 0.003881 -0.001964 0.001669 0.000337 0.005203 0Rh 2pz 0.003342 -0.000931 -0.015035 -0.005072 0.002882 0.021462 0Rh 2px -0.001000 0.002650 0.033107 -0.008805 -0.009012 -0.015241 0Rh 2py 0.004119 -0.014777 0.007527 -0.006754 -0.001874 -0.020125 0Rh 3pz -0.009514 -0.001420 0.016077 0.012446 -0.005861 -0.046620 0Rh 3px 0.002219 -0.011207 -0.050328 0.010151 0.012357 0.017317 0Rh 3py -0.014670 0.030771 -0.016340 0.022487 0.015929 0.046685 0Rh 4pz 0.014980 0.017951 0.053434 -0.012101 0.003060 0.034977 0Rh 4px -0.001174 0.029375 -0.055639 0.029544 0.021663 0.055000 0Rh 4py 0.032580 -0.024378 0.012495 -0.048167 -0.053994 -0.042571 0Rh 5pz -0.026926 -0.049143 -0.152582 0.016684 -0.000485 -0.048156 0Rh 5px -0.003099 -0.055388 0.221460 -0.086668 -0.076764 -0.177120 0Rh 5py -0.066204 0.052144 -0.020729 0.095323 0.103262 0.052799 0Rh 6pz 0.075681 -0.424033 1.132859 -0.243369 -0.103565 -0.621712 0Rh 6px 0.122613 -0.417177 -1.859973 0.040581 0.730154 0.376674 0Rh 6py 0.636914 1.339084 0.024015 0.624376 -0.556359 0.357867 0Rh 1dz2 -0.000011 0.002433 -0.001015 -0.015859 0.009321 0.015483 0Rh 1dxz 0.007238 0.003282 -0.014814 -0.005205 0.011804 0.006547 0Rh 1dyz -0.007186 -0.011142 -0.008533 0.018631 0.000576 -0.001714 0Rh 1dx2y2 -0.003470 -0.000644 0.017368 -0.021945 -0.005575 -0.010157 0Rh 1dxy 0.002556 0.007668 0.018675 0.003189 0.006293 -0.003928 0Rh 2dz2 -0.001785 0.001106 -0.002321 -0.003089 -0.000419 0.001053 0Rh 2dxz 0.001459 0.000283 -0.003701 -0.002044 0.001479 0.000335 0Rh 2dyz -0.004945 -0.000301 -0.003567 0.002171 -0.005841 -0.000244 0Rh 2dx2y2 -0.000861 -0.000223 0.005281 -0.002534 -0.002121 0.000998 0Rh 2dxy -0.001204 0.001860 0.003225 0.000217 -0.001538 -0.000859 0Rh 3dz2 0.008288 -0.012732 0.013984 0.064234 -0.027471 -0.053702 0Rh 3dxz -0.029268 -0.011529 0.063847 0.025587 -0.044174 -0.022366 0Rh 3dyz 0.045235 0.035922 0.043159 -0.068129 0.024879 0.006705 0Rh 3dx2y2 0.014790 0.002767 -0.079080 0.080755 0.027372 0.027818 0Rh 3dxy -0.002492 -0.032611 -0.073442 -0.010860 -0.012770 0.016278 0Rh 4dz2 -0.028032 0.020634 -0.039337 -0.068230 0.007311 0.036174 0Rh 4dxz 0.029775 0.007197 -0.080506 -0.033822 0.039324 0.016748 0Rh 4dyz -0.083899 -0.010892 -0.063581 0.046901 -0.082701 -0.008550 0Rh 4dx2y2 -0.016766 0.000337 0.108457 -0.067565 -0.040637 -0.004305 0Rh 4dxy -0.014696 0.037805 0.072156 0.003292 -0.014637 -0.017801 0Rh 5dz2 0.069367 -0.061735 0.094642 0.071201 -0.008672 0.051674 0Rh 5dxz -0.008127 0.028069 0.124760 0.019724 0.012872 -0.003502 0Rh 5dyz 0.118610 -0.155428 0.038377 0.173800 0.048448 0.043551 0Rh 5dx2y2 -0.003868 -0.040073 -0.195457 0.016033 0.041397 -0.042458 0Rh 5dxy 0.040255 -0.062439 -0.046824 0.070380 0.033725 0.016127 0Rh 1f0 -0.003022 -0.031205 -0.005356 -0.003777 0.018930 -0.001387 0Rh 1f+1 -0.012044 -0.002371 0.007643 -0.008525 -0.011109 -0.004590 0Rh 1f-1 -0.011780 -0.025052 0.015259 0.005809 0.020081 0.004992 0Rh 1f+2 0.002927 -0.016821 0.033438 0.000734 -0.008596 -0.040455 0Rh 1f-2 -0.013487 -0.008436 0.012118 -0.025304 -0.001161 -0.015062 0Rh 1f+3 -0.001943 0.011964 0.018886 -0.004813 -0.016354 -0.000760 0Rh 1f-3 -0.011734 -0.007579 0.014614 0.015921 0.016367 -0.001922 1Rh 1s 0.000240 -0.000982 -0.001289 -0.000185 0.000034 0.001728 1Rh 2s -0.003969 0.008143 0.010377 0.004024 -0.000712 -0.008652 1Rh 3s -0.000981 -0.000884 -0.001365 0.001347 -0.000228 0.004999 1Rh 4s 0.021055 -0.043057 -0.055679 -0.021148 0.003890 0.046001 1Rh 5s -0.051461 0.086922 0.121269 0.051043 -0.011268 -0.071402 1Rh 6s 0.071786 -0.058952 -0.127048 -0.066783 0.022980 -0.043714 1Rh 7s -0.066906 0.037462 -0.348793 0.238210 0.066072 0.589271 1Rh 8s 0.150067 -0.060429 -0.459719 -0.103849 0.197915 -0.234491 1Rh 1pz -0.000532 -0.000294 0.003769 -0.001392 -0.000733 0.005633 1Rh 1px 0.002046 0.000687 -0.008921 -0.002105 0.003019 -0.004278 1Rh 1py -0.000149 -0.003909 -0.001772 -0.001646 0.000869 -0.005142 1Rh 2pz 0.002108 0.000995 -0.013700 0.005432 0.002778 -0.021567 1Rh 2px -0.007704 -0.002883 0.033289 0.007717 -0.011161 0.015715 1Rh 2py 0.000869 0.014868 0.006787 0.006577 -0.003950 0.019873 1Rh 3pz -0.005482 0.001295 0.013338 -0.013304 -0.005428 0.045975 1Rh 3px 0.013411 0.011587 -0.050908 -0.008719 0.014696 -0.018147 1Rh 3py -0.007913 -0.030627 -0.014640 -0.020268 0.021234 -0.045781 1Rh 4pz 0.004323 -0.017896 0.055113 0.013156 0.002325 -0.031191 1Rh 4px 0.004997 -0.029081 -0.054335 -0.026578 0.029527 -0.055142 1Rh 4py 0.027455 0.023044 0.010826 0.039976 -0.061300 0.040700 1Rh 5pz 0.003341 0.049083 -0.154908 -0.018276 0.000606 0.040374 1Rh 5px -0.035406 0.053844 0.218348 0.076070 -0.099651 0.177481 1Rh 5py -0.055393 -0.049286 -0.017923 -0.079578 0.116576 -0.049912 1Rh 6pz 0.282035 0.424224 1.094051 0.229226 -0.182800 0.643377 1Rh 6px 0.369171 0.437951 -1.870507 0.060834 0.741342 -0.354824 1Rh 6py 0.679814 -1.364922 0.026551 -0.692628 -0.425993 -0.356671 1Rh 1dz2 -0.000750 0.001952 0.001038 -0.016985 -0.007518 0.014610 1Rh 1dxz -0.011056 0.002805 0.014902 -0.007048 -0.011104 0.006146 1Rh 1dyz 0.005841 -0.011688 0.008158 0.018533 -0.002860 -0.001451 1Rh 1dx2y2 0.007600 -0.000575 -0.016847 -0.020673 0.009503 -0.009080 1Rh 1dxy -0.000180 0.007675 -0.018701 0.002044 -0.006414 -0.004451 1Rh 2dz2 0.002029 0.001033 0.002381 -0.002939 0.000799 0.001057 1Rh 2dxz -0.001654 0.000258 0.003752 -0.002188 -0.001149 0.000440 1Rh 2dyz 0.004742 -0.000385 0.003520 0.003074 0.005452 -0.000031 1Rh 2dx2y2 0.000845 -0.000256 -0.005299 -0.002256 0.002470 0.000979 1Rh 2dxy 0.001233 0.001860 -0.003212 0.000410 0.001487 -0.000937 1Rh 3dz2 -0.006957 -0.010890 -0.014334 0.067092 0.020036 -0.050974 1Rh 3dxz 0.042147 -0.009915 -0.064353 0.032083 0.040487 -0.021575 1Rh 3dyz -0.040081 0.038019 -0.041785 -0.071954 -0.015958 0.004899 1Rh 3dx2y2 -0.027700 0.002699 0.077518 0.075466 -0.041368 0.024514 1Rh 3dxy -0.005102 -0.032629 0.073466 -0.008141 0.013364 0.018287 1Rh 4dz2 0.029554 0.018943 0.040283 -0.067605 0.000849 0.035141 1Rh 4dxz -0.037881 0.006223 0.081256 -0.038663 -0.034109 0.017733 1Rh 4dyz 0.078875 -0.012901 0.062734 0.059842 0.075087 -0.005137 1Rh 4dx2y2 0.022894 -0.000086 -0.107836 -0.061547 0.051275 -0.003268 1Rh 4dxy 0.018401 0.037751 -0.071930 0.004698 0.014232 -0.019612 1Rh 5dz2 -0.073967 -0.060861 -0.096954 0.069531 -0.001224 0.047252 1Rh 5dxz 0.001822 0.025644 -0.125042 0.014013 -0.016045 -0.011724 1Rh 5dyz -0.112673 -0.152684 -0.043536 0.162987 -0.066823 0.041891 1Rh 5dx2y2 0.015291 -0.037213 0.195088 0.014400 -0.040009 -0.031954 1Rh 5dxy -0.028068 -0.061194 0.044369 0.065260 -0.040486 0.018150 1Rh 1f0 -0.002028 0.031998 -0.006396 0.006497 0.017309 0.002317 1Rh 1f+1 -0.013978 0.001869 0.007858 0.006785 -0.012583 0.003626 1Rh 1f-1 -0.024773 0.025783 0.016600 -0.002795 0.019753 -0.004602 1Rh 1f+2 0.005269 0.016673 0.031083 -0.002024 -0.009772 0.040529 1Rh 1f-2 -0.018815 0.008564 0.010682 0.024701 -0.005315 0.015084 1Rh 1f+3 -0.005925 -0.012685 0.020454 0.002648 -0.016814 -0.000396 1Rh 1f-3 -0.013173 0.008005 0.014517 -0.013657 0.017661 0.002153 2C 1s 0.017672 0.008820 -0.004942 -0.008066 0.005573 -0.014045 2C 2s 0.047739 0.024338 -0.013376 -0.024193 0.012832 -0.039528 2C 3s 0.320899 0.090513 0.039584 0.094091 0.087450 0.047141 2C 4s -2.625267 -0.972969 0.006837 0.091633 -0.583494 0.651953 2C 5s 0.949721 0.158600 0.820330 -0.382518 -0.359453 0.195682 2C 1pz 0.096206 0.030430 -0.005788 0.058076 0.074505 -0.026296 2C 1px -0.008739 -0.030366 -0.016052 0.021456 0.007874 0.010482 2C 1py 0.100018 0.046892 -0.022645 -0.019381 0.031660 0.026155 2C 2pz -0.441538 -0.129669 -0.374973 -0.558293 0.038638 -0.138429 2C 2px 0.173312 0.238813 0.128801 -0.207931 0.177445 -0.224531 2C 2py -0.529269 -0.148118 -0.041803 0.249910 0.146544 -0.401259 2C 3pz 0.039156 -0.000304 0.032389 -0.070373 -0.067526 0.243842 2C 3px 0.120304 0.018142 0.207868 -0.151203 -0.098378 0.024702 2C 3py -0.099597 -0.093750 0.192719 0.159920 0.022126 -0.098421 2C 1dz2 0.107237 -0.034101 0.119989 0.098837 -0.043220 -0.214153 2C 1dxz -0.021336 0.037923 -0.088177 0.034534 0.014198 0.048010 2C 1dyz -0.000202 0.050507 -0.089576 -0.111298 0.007801 0.090352 2C 1dx2y2 -0.227458 -0.102128 -0.116682 0.253969 -0.056558 0.032080 2C 1dxy -0.193289 -0.120216 -0.054123 0.296426 0.004267 -0.094041 2C 2dz2 -0.114299 -0.010249 -0.259295 -0.249369 0.107805 0.158817 2C 2dxz -0.119529 -0.045017 0.095154 0.014563 -0.107876 -0.069521 2C 2dyz -0.099762 -0.019284 -0.029399 0.106812 0.309362 -0.353902 2C 2dx2y2 0.284026 0.169688 0.178897 -0.138807 0.234749 -0.094194 2C 2dxy 0.258226 0.179759 -0.012319 -0.461227 -0.126498 0.134078 2C 1f0 -0.038768 0.014760 -0.014784 -0.009516 0.139448 0.023497 2C 1f+1 0.005917 0.024945 0.028353 -0.082805 -0.031530 0.046091 2C 1f-1 -0.011597 0.028850 -0.077252 0.049175 0.166672 -0.053838 2C 1f+2 -0.010420 0.039250 0.000760 -0.052755 0.051168 0.016722 2C 1f-2 -0.099815 -0.074514 0.045906 -0.076345 -0.130259 0.060227 2C 1f+3 0.048988 -0.018994 -0.026871 -0.029467 0.000871 -0.054270 2C 1f-3 0.080945 0.016801 -0.025221 -0.014144 0.028326 -0.029430 3C 1s -0.004358 -0.013418 -0.009555 0.003059 -0.000966 -0.011299 3C 2s -0.012389 -0.033898 -0.024339 0.010510 -0.000087 -0.032266 3C 3s -0.071830 -0.350925 -0.153571 -0.015295 -0.111430 0.015307 3C 4s 0.487507 2.501809 1.361984 -0.149927 0.568275 0.887102 3C 5s -0.347130 -0.820891 -0.285637 -0.117911 0.146999 1.019732 3C 1pz -0.017774 -0.106348 -0.051929 0.046608 -0.027128 -0.002022 3C 1px 0.018117 0.023840 -0.001272 0.016016 0.007417 -0.001693 3C 1py 0.031970 0.139292 0.073219 0.054656 0.073315 -0.000797 3C 2pz -0.079206 0.709590 0.325024 -0.482675 0.232401 0.182593 3C 2px -0.245821 -0.348317 -0.032053 -0.267050 -0.311347 0.086976 3C 2py -0.098351 -0.619510 -0.185257 -0.259584 -0.267720 0.022650 3C 3pz -0.068085 0.059649 -0.034978 -0.296963 0.055751 0.104107 3C 3px -0.116507 -0.139885 0.113973 -0.143573 -0.170916 0.480999 3C 3py -0.071039 0.033593 0.077787 -0.079095 -0.039021 -0.201792 3C 1dz2 -0.115226 -0.136934 -0.063157 0.453886 0.113468 0.027170 3C 1dxz -0.127838 -0.223031 -0.063743 0.026387 -0.083605 0.108326 3C 1dyz 0.014944 -0.000926 -0.004322 -0.064529 -0.013920 0.031686 3C 1dx2y2 0.086357 0.199152 -0.017247 0.012330 0.139383 -0.244779 3C 1dxy -0.137914 -0.166700 0.065760 -0.174252 -0.173797 0.386986 3C 2dz2 -0.064707 0.119300 0.073637 -0.604363 -0.074358 0.059679 3C 2dxz 0.273244 0.704520 0.318560 0.223716 0.388863 -0.072993 3C 2dyz -0.061985 0.113526 0.159669 0.236576 0.209493 0.027387 3C 2dx2y2 0.058529 -0.364101 -0.046715 0.039925 -0.262829 0.134209 3C 2dxy 0.270444 0.186293 -0.076367 0.273217 0.171493 -0.340026 3C 1f0 -0.009998 0.064458 0.068949 0.072086 0.064913 0.039706 3C 1f+1 0.006460 -0.052829 -0.022673 -0.023342 -0.022513 0.048500 3C 1f-1 -0.103247 0.095116 0.061463 0.141992 0.137380 0.067297 3C 1f+2 -0.030507 0.060363 0.074261 0.088387 0.090637 0.094576 3C 1f-2 -0.055353 -0.148303 -0.136542 -0.009314 -0.027426 -0.149423 3C 1f+3 -0.045580 0.044085 0.036177 0.059999 0.061223 0.075647 3C 1f-3 0.112713 0.145570 0.118797 0.025672 0.020172 0.056482 4C 1s -0.000156 -0.002981 -0.002265 0.006290 0.005555 0.001711 4C 2s 0.004354 -0.007546 -0.007085 0.019802 0.018530 0.004587 4C 3s -0.727961 -0.116090 -0.094465 -0.113519 0.071097 -0.140835 4C 4s 3.195382 0.583195 0.795972 0.085117 -0.837920 0.632795 4C 5s 1.055479 0.486955 0.354182 -0.503603 -0.481155 -0.214261 4C 1pz 0.105853 0.062879 0.013901 -0.059678 0.010289 -0.057494 4C 1px 0.051529 0.017472 -0.046955 -0.009083 0.084559 -0.025066 4C 1py 0.068781 0.042585 -0.004687 -0.002560 0.054895 -0.063876 4C 2pz -0.387437 -0.310595 -0.129938 -0.044373 -0.116726 0.068445 4C 2px -0.016597 0.154922 0.187628 -0.091374 -0.578569 0.003691 4C 2py -0.213140 -0.092419 -0.019887 -0.262901 -0.297879 0.184658 4C 3pz 0.552208 0.098391 0.884457 -0.318548 -0.537200 0.209838 4C 3px 0.475474 0.363209 -0.353963 0.272946 0.860211 -0.370119 4C 3py 0.830504 0.286553 0.300053 -0.246250 -0.365510 0.176367 4C 1dz2 0.086263 0.012559 -0.013933 0.001617 -0.078158 -0.044435 4C 1dxz 0.194696 0.091998 -0.049311 0.105489 0.117192 -0.127485 4C 1dyz 0.027353 0.042940 -0.061869 -0.046059 0.146384 -0.111380 4C 1dx2y2 -0.066008 -0.020116 -0.001589 0.123826 -0.015675 -0.089655 4C 1dxy -0.139030 -0.079622 -0.115554 0.050986 0.236127 0.041346 4C 2dz2 0.065410 0.036006 -0.086306 0.031133 0.440979 0.072645 4C 2dxz -0.310184 -0.025895 0.143730 -0.229024 -0.414943 0.163389 4C 2dyz 0.383606 0.013931 0.155693 0.118581 -0.312661 0.132079 4C 2dx2y2 0.375476 0.073569 0.054607 -0.455573 -0.270400 0.238769 4C 2dxy 0.315683 0.296781 0.338643 -0.020197 -0.541407 0.007869 4C 1f0 -0.054568 0.035205 0.051701 0.091005 0.068623 -0.037438 4C 1f+1 -0.236698 -0.140165 -0.063437 0.122766 0.074092 -0.020786 4C 1f-1 -0.021559 -0.031257 -0.015859 0.036486 0.116495 -0.004319 4C 1f+2 0.057876 0.016695 -0.017821 0.004612 0.006042 -0.024086 4C 1f-2 -0.025863 0.022262 -0.044721 0.003912 0.008767 0.051115 4C 1f+3 -0.011555 0.045793 -0.072678 0.091346 0.026703 0.044211 4C 1f-3 -0.106530 -0.026069 -0.081621 0.004413 0.102425 0.002402 5C 1s 0.001823 -0.003397 -0.004243 -0.006768 -0.005604 -0.000822 5C 2s 0.003560 -0.013784 -0.015198 -0.021454 -0.017105 -0.002631 5C 3s 0.430807 0.367238 0.074460 -0.085805 -0.285760 -0.163408 5C 4s -1.977597 -1.382577 -0.018302 0.768538 1.654704 0.736400 5C 5s -1.041065 -0.036223 0.411511 1.004380 1.404583 0.048429 5C 1pz 0.003047 -0.063048 -0.015246 -0.013525 -0.020609 -0.037941 5C 1px -0.015446 -0.109957 -0.142390 -0.030864 -0.086909 -0.004980 5C 1py -0.019206 0.135369 0.061434 -0.032664 0.053614 0.070823 5C 2pz -0.340392 0.471735 0.243292 0.094302 0.484328 0.299278 5C 2px -0.079110 0.647671 0.695026 0.474710 0.654996 0.176239 5C 2py 0.477977 -0.929841 -0.575879 0.116235 -0.785106 -0.560252 5C 3pz -0.108076 0.078063 0.348572 0.439040 0.457541 0.824283 5C 3px -0.200604 -1.142288 -0.972168 -0.321191 -0.189015 -0.407979 5C 3py 0.714740 0.250862 -0.054113 -0.169865 -0.738644 -1.043766 5C 1dz2 -0.177051 0.045189 0.117615 0.196707 0.182622 0.147706 5C 1dxz -0.200489 -0.184338 -0.150290 0.103122 0.126531 -0.171020 5C 1dyz 0.022720 -0.014437 0.030178 -0.049986 0.038870 0.026941 5C 1dx2y2 -0.013738 -0.046099 -0.110511 -0.031730 -0.075182 -0.115221 5C 1dxy 0.006252 0.227298 0.165941 0.208855 0.185995 0.015916 5C 2dz2 0.526163 0.047561 -0.216199 -0.585895 -0.519436 -0.255965 5C 2dxz 0.346528 0.069752 0.090902 -0.310684 -0.416002 -0.045502 5C 2dyz 0.195349 0.335673 0.131274 0.180266 -0.136588 -0.035540 5C 2dx2y2 -0.269346 0.465028 0.628803 0.311915 0.539447 0.551188 5C 2dxy -0.207254 -0.445926 -0.395340 -0.577094 -0.357181 0.070978 5C 1f0 0.021281 0.034962 0.036208 0.049750 -0.033730 -0.050168 5C 1f+1 0.101249 -0.034866 -0.094125 -0.002130 -0.084605 -0.117120 5C 1f-1 -0.027396 0.076657 0.018647 -0.015875 0.043018 -0.017302 5C 1f+2 0.070161 0.124927 0.019017 0.017740 0.077420 -0.084006 5C 1f-2 -0.115534 -0.147167 -0.042045 -0.001163 0.057472 0.025769 5C 1f+3 0.103824 0.016922 -0.116535 -0.160769 -0.069149 -0.086139 5C 1f-3 -0.081364 -0.000793 -0.000179 0.195879 0.167392 -0.003015 6C 1s -0.003027 -0.003358 0.004367 -0.005873 0.006561 -0.000398 6C 2s -0.007695 -0.013832 0.015655 -0.018669 0.020216 -0.001324 6C 3s -0.318725 0.394991 -0.075531 -0.046059 0.296476 -0.147515 6C 4s 1.512594 -1.503367 0.023080 0.527976 -1.759454 0.631742 6C 5s 1.064086 -0.082322 -0.421730 0.786604 -1.534455 -0.039110 6C 1pz 0.002294 0.064891 -0.016979 0.009857 -0.026070 0.036968 6C 1px -0.007058 0.108762 -0.141359 0.015428 -0.092612 -0.001734 6C 1py -0.019923 -0.137923 0.063332 0.040875 0.054325 -0.068910 6C 2pz -0.443478 -0.472620 0.248613 -0.017595 0.512808 -0.269268 6C 2px -0.124472 -0.633766 0.716193 -0.377727 0.729903 -0.156406 6C 2py 0.650962 0.931274 -0.587823 -0.234911 -0.791459 0.517608 6C 3pz -0.087214 -0.058196 0.353115 -0.360787 0.547904 -0.778531 6C 3px -0.079454 1.151674 -0.982779 0.268265 -0.268896 0.377375 6C 3py 0.651869 -0.288946 -0.052369 0.062199 -0.782144 1.009878 6C 1dz2 0.170689 0.037955 -0.122483 0.166252 -0.214527 0.136028 6C 1dxz 0.201848 -0.190140 0.150548 0.087605 -0.134023 -0.170428 6C 1dyz -0.050304 -0.012716 -0.028568 -0.055708 -0.033018 0.019686 6C 1dx2y2 0.001875 -0.040728 0.112663 -0.019892 0.080255 -0.107952 6C 1dxy -0.001772 0.224646 -0.170299 0.178403 -0.221808 0.008544 6C 2dz2 -0.468375 0.068282 0.230888 -0.508056 0.609745 -0.234937 6C 2dxz -0.398249 0.088968 -0.089418 -0.244437 0.456597 -0.020623 6C 2dyz -0.110027 0.345971 -0.142355 0.198769 0.107321 -0.011689 6C 2dx2y2 0.301394 0.447168 -0.649772 0.229314 -0.598576 0.528437 6C 2dxy 0.232330 -0.434415 0.404717 -0.521294 0.445752 0.085295 6C 1f0 0.005025 -0.036403 0.038418 -0.054248 -0.025608 0.048925 6C 1f+1 0.107266 0.029558 -0.097374 -0.010252 -0.087283 0.113486 6C 1f-1 -0.023865 -0.075979 0.016432 0.021471 0.040523 0.017649 6C 1f+2 0.065058 -0.127186 0.016343 -0.005578 0.079977 0.090727 6C 1f-2 -0.112120 0.150277 -0.038688 0.007899 0.054894 -0.023697 6C 1f+3 0.090409 -0.023636 -0.119270 0.149629 -0.093332 0.080236 6C 1f-3 -0.083743 0.007160 0.002544 -0.168904 0.194066 0.013112 7C 1s -0.001575 -0.003057 0.002093 0.005444 -0.006309 0.001712 7C 2s -0.010825 -0.007749 0.006616 0.016989 -0.020903 0.004532 7C 3s 0.889143 -0.125397 0.099899 -0.120714 -0.042846 -0.129267 7C 4s -3.794631 0.633461 -0.816643 0.200335 0.768285 0.578602 7C 5s -0.987663 0.499793 -0.361055 -0.430528 0.534289 -0.258617 7C 1pz 0.124967 -0.064396 0.011717 0.058688 0.000650 0.055874 7C 1px 0.064194 -0.016123 -0.047438 0.019996 0.080274 0.023714 7C 1py 0.084938 -0.042562 -0.006032 0.008993 0.051935 0.063817 7C 2pz -0.601763 0.320242 -0.136102 0.063350 -0.125460 -0.034199 7C 2px -0.164540 -0.163861 0.199945 0.008457 -0.581396 -0.015736 7C 2py -0.399772 0.095138 -0.020069 0.240025 -0.328261 -0.168784 7C 3pz 0.715277 -0.116279 0.870581 0.262787 -0.562759 -0.170929 7C 3px 0.663660 -0.345586 -0.362495 -0.158715 0.868700 0.379831 7C 3py 1.005759 -0.306335 0.292135 0.201113 -0.385489 -0.171692 7C 1dz2 -0.075373 0.017378 0.012013 0.009716 0.078307 -0.042669 7C 1dxz -0.234961 0.093296 0.054242 0.087919 -0.126372 -0.130127 7C 1dyz -0.020611 0.039308 0.066465 -0.065842 -0.133768 -0.112430 7C 1dx2y2 0.086601 -0.016990 0.002105 0.127644 0.004062 -0.084073 7C 1dxy 0.096174 -0.086739 0.115225 0.015928 -0.235889 0.041580 7C 2dz2 -0.179362 0.023860 0.093517 -0.023770 -0.438344 0.066420 7C 2dxz 0.430503 -0.021627 -0.157065 -0.156034 0.437792 0.189748 7C 2dyz -0.481999 0.027800 -0.160786 0.164383 0.280522 0.132039 7C 2dx2y2 -0.380544 0.078392 -0.052192 -0.424291 0.311813 0.225088 7C 2dxy -0.241954 0.307425 -0.348711 0.058754 0.529690 0.011852 7C 1f0 -0.058982 -0.035406 0.053603 -0.078894 0.078105 0.040353 7C 1f+1 -0.258711 0.144762 -0.061220 -0.112808 0.085245 0.020423 7C 1f-1 0.016913 0.033281 -0.019025 -0.018608 0.118542 0.006561 7C 1f+2 0.070111 -0.014580 -0.018930 -0.003443 0.006087 0.028708 7C 1f-2 -0.050099 -0.020148 -0.043044 -0.004035 0.012076 -0.050932 7C 1f+3 -0.017626 -0.045346 -0.070146 -0.086788 0.042504 -0.040034 7C 1f-3 -0.109961 0.031208 -0.081496 0.007886 0.097374 -0.006060 8C 1s 0.006816 -0.013861 0.009698 0.003459 0.001308 -0.011230 8C 2s 0.019988 -0.035082 0.024679 0.011221 0.000723 -0.032266 8C 3s -0.008809 -0.361029 0.155944 0.002166 0.118151 0.022051 8C 4s -0.248980 2.571718 -1.388472 -0.256053 -0.620706 0.860343 8C 5s 0.265060 -0.853253 0.287292 -0.131148 -0.144507 1.016113 8C 1pz -0.000554 0.108656 -0.051421 -0.051125 -0.022127 -0.000246 8C 1px 0.018551 -0.022076 -0.003593 -0.012822 0.009702 0.004938 8C 1py 0.009598 -0.142391 0.073932 -0.042337 0.083558 0.007028 8C 2pz -0.248701 -0.716796 0.323610 0.516158 0.169879 -0.172631 8C 2px -0.262922 0.339091 -0.019304 0.204453 -0.354154 -0.124377 8C 2py 0.157836 0.630362 -0.194894 0.214912 -0.305995 -0.035023 8C 3pz -0.064496 -0.059848 -0.039611 0.302393 0.013082 -0.108341 8C 3px -0.105467 0.143144 0.120049 0.117814 -0.180911 -0.489734 8C 3py -0.101151 -0.034880 0.079314 0.073415 -0.059769 0.199266 8C 1dz2 0.102730 -0.148058 0.057501 0.433637 -0.177027 0.026987 8C 1dxz 0.116372 -0.223463 0.056210 0.036301 0.080959 0.117191 8C 1dyz -0.022432 -0.000822 0.004488 -0.064165 0.024836 0.035538 8C 1dx2y2 -0.082329 0.206343 0.025439 -0.007163 -0.140753 -0.256113 8C 1dxy 0.133545 -0.167185 -0.075367 -0.148051 0.189694 0.395366 8C 2dz2 0.059883 0.134762 -0.071069 -0.585608 0.152904 0.061843 8C 2dxz -0.203475 0.696774 -0.309553 0.162818 -0.424232 -0.104660 8C 2dyz 0.001759 0.110320 -0.162146 0.205443 -0.254173 0.009748 8C 2dx2y2 -0.134171 -0.371228 0.042051 0.076615 0.261220 0.151963 8C 2dxy -0.292354 0.180367 0.092153 0.240531 -0.202619 -0.361143 8C 1f0 0.005812 -0.064365 0.069897 -0.061244 0.078469 -0.035738 8C 1f+1 0.006789 0.054479 -0.021649 0.020144 -0.026126 -0.048078 8C 1f-1 -0.104829 -0.091625 0.064203 -0.120041 0.161572 -0.062353 8C 1f+2 -0.039931 -0.056670 0.077758 -0.072941 0.106230 -0.088400 8C 1f-2 -0.039051 0.148458 -0.139924 0.001641 -0.035022 0.145360 8C 1f+3 -0.055554 -0.040717 0.038385 -0.050353 0.071102 -0.075111 8C 1f-3 0.105018 -0.146447 0.119828 -0.019932 0.028417 -0.050656 9C 1s -0.017774 0.008782 0.005306 -0.008835 -0.003940 -0.014069 9C 2s -0.046679 0.024228 0.014394 -0.025972 -0.008056 -0.039589 9C 3s -0.446380 0.094703 -0.041417 0.085723 -0.105684 0.047700 9C 4s 3.200059 -0.992550 -0.018596 0.147526 0.561321 0.646575 9C 5s -1.262009 0.179626 -0.801909 -0.359193 0.411866 0.173020 9C 1pz 0.142072 -0.030795 -0.005818 -0.048317 0.081916 0.025670 9C 1px -0.010102 0.031161 -0.015433 -0.020040 0.012202 -0.008340 9C 1py 0.124279 -0.048032 -0.023097 0.022164 0.031429 -0.026718 9C 2pz -0.720720 0.141678 -0.389570 0.581975 -0.055091 0.144929 9C 2px 0.206888 -0.239416 0.122474 0.235177 0.126349 0.210278 9C 2py -0.695086 0.160727 -0.046646 -0.204741 0.161911 0.417817 9C 3pz 0.082609 -0.002081 0.031082 0.065381 -0.071523 -0.243713 9C 3px 0.182308 -0.028691 0.198719 0.142544 -0.115463 -0.033420 9C 3py -0.058205 0.094244 0.187414 -0.148757 0.039155 0.107411 9C 1dz2 -0.143335 -0.028825 -0.117523 0.102917 0.034986 -0.213397 9C 1dxz 0.034465 0.035788 0.083160 0.034597 -0.020962 0.046066 9C 1dyz 0.027470 0.048753 0.087674 -0.110839 0.004230 0.091641 9C 1dx2y2 0.283250 -0.104105 0.110786 0.255084 0.018842 0.033865 9C 1dxy 0.224392 -0.127844 0.055051 0.300559 -0.041245 -0.091761 9C 2dz2 0.189825 -0.016940 0.261773 -0.269176 -0.073745 0.156219 9C 2dxz 0.168072 -0.049024 -0.093117 0.025185 0.110148 -0.066064 9C 2dyz 0.110891 -0.027733 0.039576 0.054169 -0.302018 -0.360759 9C 2dx2y2 -0.415548 0.167120 -0.173836 -0.155794 -0.206249 -0.089909 9C 2dxy -0.261839 0.195746 0.010745 -0.442944 0.176964 0.137416 9C 1f0 -0.021361 -0.009885 -0.015601 0.028972 0.134812 -0.019565 9C 1f+1 -0.012175 -0.025803 0.028794 0.079586 -0.039612 -0.042037 9C 1f-1 -0.003329 -0.025375 -0.078303 -0.023521 0.169224 0.055137 9C 1f+2 -0.014028 -0.037526 0.000958 0.058758 0.043923 -0.012960 9C 1f-2 -0.131224 0.071499 0.047008 0.059279 -0.136167 -0.061014 9C 1f+3 0.048733 0.018688 -0.027634 0.029461 -0.006567 0.052970 9C 1f-3 0.104489 -0.017395 -0.028250 0.019750 0.025176 0.030831 10H 1s -0.090937 -0.057560 0.006963 -0.006785 -0.087425 0.065663 10H 2s 0.382944 0.127945 -0.303122 -0.136346 -0.011085 -0.226541 10H 3s -0.256120 -0.068264 -0.110664 0.116193 0.022441 0.105052 10H 1pz 0.126663 0.028599 -0.081119 -0.079486 -0.046070 -0.011775 10H 1px -0.248685 -0.120513 0.084531 0.078646 -0.073198 0.168006 10H 1py -0.007399 -0.039865 -0.023601 0.005719 0.017795 -0.031032 11H 1s 0.007824 0.017567 -0.003492 -0.017921 -0.057367 0.039328 11H 2s 0.927340 0.445888 -0.226239 -0.522153 0.445634 -0.391684 11H 3s -0.207505 -0.052438 -0.067731 0.064413 -0.018153 0.149778 11H 1pz 0.332727 0.139622 -0.100117 -0.132033 0.124207 -0.122003 11H 1px 0.243872 0.096128 -0.038851 -0.099729 0.138345 -0.167731 11H 1py -0.074059 -0.041244 0.027674 0.074769 -0.023642 0.082591 12H 1s -0.095849 -0.040787 0.030635 0.052174 0.039591 -0.012412 12H 2s 0.625748 0.328828 -0.054500 0.167434 0.605025 -0.684902 12H 3s -0.207077 -0.084496 0.010834 0.099981 -0.007532 -0.024220 12H 1pz -0.045954 0.014073 0.022320 0.114892 0.133087 -0.015379 12H 1px 0.183328 0.108698 -0.026266 -0.024359 0.142286 -0.119889 12H 1py 0.271329 0.154873 -0.041595 0.038253 0.225051 -0.250120 13H 1s 0.041527 0.195414 0.108263 0.046245 0.084701 0.058211 13H 2s -0.043134 0.148002 -0.055992 0.172929 0.383299 -0.347443 13H 3s 0.075003 0.229684 0.023492 0.007265 0.071032 -0.109837 13H 1pz -0.094505 -0.080077 -0.076818 0.007494 0.065351 -0.055963 13H 1px 0.024399 0.140132 0.096804 -0.064093 0.000321 0.124335 13H 1py -0.034115 -0.151953 -0.054860 -0.089586 -0.137608 -0.005356 14H 1s -0.060265 -0.050535 -0.021254 -0.074750 -0.020731 -0.001047 14H 2s -0.509808 -0.982001 -0.513484 -0.492521 -0.437100 -0.134946 14H 3s 0.056548 0.137791 0.101776 -0.100531 -0.068066 0.118539 14H 1pz -0.119676 -0.159055 -0.086105 -0.082917 -0.049913 -0.075467 14H 1px -0.152506 -0.397942 -0.223267 -0.096642 -0.150191 -0.102680 14H 1py 0.079117 0.186257 0.113063 0.136352 0.111239 -0.003011 15H 1s 0.076811 0.039700 0.027895 0.022741 -0.001764 0.010209 15H 2s -0.041071 -0.888828 -0.601541 0.307981 -0.303796 -0.428399 15H 3s 0.090856 0.168694 0.062896 0.043328 -0.026695 0.019691 15H 1pz 0.078566 0.125275 0.088606 -0.034684 -0.001285 0.104896 15H 1px -0.033808 -0.192351 -0.094310 -0.039705 -0.106478 -0.000716 15H 1py -0.040074 0.346742 0.234280 -0.074810 0.151787 0.182239 16H 1s 0.020788 0.029219 0.004552 0.002684 0.017950 -0.010818 16H 2s -0.072963 -0.200294 -0.905952 0.186827 -0.007134 0.482747 16H 3s 0.034837 0.006246 0.053602 -0.010047 0.020364 -0.045590 16H 1pz -0.017289 -0.059960 -0.381296 0.085499 -0.005238 0.203330 16H 1px 0.021472 0.006386 -0.007784 0.003530 0.041041 0.014290 16H 1py -0.012905 -0.018463 -0.063074 0.016881 -0.028045 0.031119 17H 1s 0.009747 0.016166 -0.009419 0.027982 -0.014707 0.025049 17H 2s 0.094168 -0.165407 -0.699108 0.006652 0.397808 0.320814 17H 3s -0.011891 0.045649 0.028435 0.026419 -0.036627 0.015444 17H 1pz -0.037044 0.047652 0.240308 -0.027304 -0.100767 -0.116609 17H 1px -0.031821 0.022844 0.169898 -0.001384 -0.113380 -0.070565 17H 1py 0.033198 -0.014803 -0.075285 -0.003487 0.070343 0.042680 18H 1s -0.010458 0.016259 0.008620 0.029127 0.008720 0.023847 18H 2s -0.241002 -0.167974 0.698858 -0.042986 -0.400971 0.326306 18H 3s 0.026268 0.046121 -0.032035 0.032255 0.030774 0.017132 18H 1pz -0.090674 -0.049819 0.242724 0.013636 -0.108865 0.118456 18H 1px -0.063391 -0.023110 0.169327 -0.012968 -0.113695 0.072188 18H 1py 0.050100 0.013220 -0.068490 0.012593 0.066671 -0.039473 19H 1s -0.027044 0.028477 -0.004428 -0.001084 -0.018911 -0.013020 19H 2s -0.042123 -0.199258 0.899303 0.195219 -0.037650 0.501800 19H 3s -0.042710 0.007507 -0.050318 -0.011713 -0.018003 -0.043184 19H 1pz 0.035651 0.059064 -0.376768 -0.088458 0.015454 -0.209586 19H 1px 0.030174 -0.004850 -0.004423 0.004363 0.041353 -0.009719 19H 1py -0.006419 0.020053 -0.071472 -0.022870 -0.022465 -0.037743 20H 1s -0.078741 0.041646 -0.027442 0.022038 -0.002530 0.007195 20H 2s 0.067757 -0.909623 0.605755 0.359001 0.295286 -0.407740 20H 3s -0.104758 0.174043 -0.063570 0.045601 0.013131 0.020403 20H 1pz 0.106646 -0.129322 0.088831 0.037206 0.000813 -0.103237 20H 1px -0.030166 0.196204 -0.095130 0.021734 -0.116325 -0.005437 20H 1py -0.034401 -0.353476 0.236925 0.099454 0.154547 -0.174361 21H 1s 0.054496 -0.047490 0.019101 -0.069314 0.030620 0.004291 21H 2s 0.515961 -0.993430 0.515237 -0.407268 0.534035 -0.097168 21H 3s -0.060680 0.143396 -0.103539 -0.093006 0.077782 0.121204 21H 1pz -0.124070 0.165377 -0.089823 0.072044 -0.069408 0.070214 21H 1px -0.156165 0.403055 -0.224180 0.066998 -0.176099 0.090021 21H 1py 0.046478 -0.182947 0.112039 -0.114878 0.132221 0.015946 22H 1s -0.031885 0.195534 -0.107957 0.030322 -0.096400 0.050918 22H 2s 0.155983 0.124740 0.067460 0.116802 -0.388363 -0.374834 22H 3s -0.082136 0.237372 -0.020954 -0.004122 -0.075325 -0.111770 22H 1pz -0.125372 0.086990 -0.076502 0.000528 0.059957 0.057505 22H 1px 0.045287 -0.147237 0.098739 0.066594 0.000140 -0.124193 22H 1py -0.006336 0.144313 -0.050935 0.066264 -0.149985 -0.006755 23H 1s 0.089250 -0.044021 -0.030362 0.045614 -0.043465 -0.013030 23H 2s -0.755964 0.319996 0.067857 0.077796 -0.596493 -0.691576 23H 3s 0.222876 -0.085041 -0.006988 0.103375 -0.008615 -0.021506 23H 1pz -0.011592 -0.009979 0.022755 -0.096148 0.144367 0.015744 23H 1px 0.218401 -0.106435 -0.029294 0.044523 0.129634 0.116307 23H 1py 0.315136 -0.152344 -0.046513 -0.004768 0.222289 0.255552 24H 1s 0.000068 0.020642 0.003421 -0.009476 0.057131 0.041553 24H 2s -1.051418 0.450466 0.243774 -0.580481 -0.352914 -0.386754 24H 3s 0.224586 -0.052386 0.063735 0.068572 0.001567 0.156991 24H 1pz 0.380058 -0.141069 -0.104112 0.146589 0.099477 0.116684 24H 1px 0.290314 -0.098292 -0.046248 0.120822 0.117854 0.168665 24H 1py -0.047531 0.037716 0.027868 -0.077401 -0.007723 -0.083165 25H 1s 0.122602 -0.057516 -0.009634 0.004748 0.084216 0.063844 25H 2s -0.326682 0.126511 0.308824 -0.138423 0.027760 -0.234718 25H 3s 0.306078 -0.073394 0.104563 0.115797 -0.040524 0.104270 25H 1pz 0.109821 -0.032162 -0.083433 0.075223 -0.052354 0.016535 25H 1px -0.260408 0.119319 0.088829 -0.088583 -0.058217 -0.167788 25H 1py -0.011876 0.043845 -0.023247 -0.002779 0.015553 0.031203 26O 1s 0.001923 -0.001602 -0.018363 0.002987 0.012053 -0.002839 26O 2s 0.008945 -0.004978 -0.064194 0.009188 0.042032 -0.010112 26O 3s -0.030296 0.056565 0.504926 -0.091748 -0.384099 0.085684 26O 4s -0.042262 -0.195994 -1.112679 0.373809 1.266341 -0.238305 26O 5s -1.844512 -0.520992 0.402485 0.112812 -0.196211 -0.026399 26O 1pz 0.114741 0.071323 -0.018540 0.020777 0.024754 -0.038232 26O 1px -0.106289 -0.055403 0.042566 0.058381 0.062210 0.012556 26O 1py -0.072331 0.000598 0.038840 0.109227 0.151923 -0.024168 26O 2pz -0.140231 -0.096370 0.039521 -0.013242 -0.080132 0.077822 26O 2px 0.434892 0.222074 0.083876 -0.212141 -0.503269 0.073000 26O 2py 0.247641 0.017817 -0.013820 -0.313840 -0.444620 0.099119 26O 3pz 0.360386 0.359336 -0.004113 0.017442 0.351772 -0.365022 26O 3px 0.562074 0.267215 0.420172 -0.002275 -0.179470 -0.111412 26O 3py 0.180751 0.092637 0.146205 -0.011858 0.417146 -0.220280 26O 1dz2 0.006149 0.001547 0.002453 -0.005392 -0.004314 -0.007052 26O 1dxz -0.002904 0.000385 0.007683 -0.001289 -0.006083 0.000055 26O 1dyz -0.009056 0.000115 0.000116 0.002583 0.001853 0.003379 26O 1dx2y2 -0.007131 -0.002263 -0.005385 0.004600 0.003621 0.004271 26O 1dxy -0.009431 -0.004819 0.002595 0.005025 -0.000068 -0.005001 26O 2dz2 0.055243 0.038764 -0.021631 -0.039256 -0.043608 -0.038683 26O 2dxz -0.016934 -0.019495 -0.012847 -0.036522 -0.089380 0.013299 26O 2dyz -0.097660 0.001859 -0.035361 -0.015669 -0.024317 0.000549 26O 2dx2y2 -0.046653 -0.065862 -0.001335 -0.057429 0.000230 -0.000074 26O 2dxy -0.117988 -0.006352 0.007757 0.074159 -0.035523 0.009696 26O 1f0 -0.021616 -0.004606 0.004623 -0.001069 -0.004270 0.012342 26O 1f+1 -0.004124 0.001439 -0.010503 0.001874 0.004256 -0.003499 26O 1f-1 -0.000600 0.001304 -0.008992 0.008223 0.001246 -0.003551 26O 1f+2 0.029036 0.011004 -0.004019 0.000944 0.009075 -0.012994 26O 1f-2 0.011506 0.005778 -0.005119 0.007551 0.004562 -0.007889 26O 1f+3 -0.008567 -0.004382 -0.015961 -0.002644 0.031530 0.011460 26O 1f-3 -0.012188 -0.004121 -0.004719 0.010419 0.014709 -0.012697 27O 1s 0.003690 -0.001390 -0.027685 -0.011870 -0.001698 0.001899 27O 2s 0.012838 -0.006736 -0.097221 -0.040810 -0.005473 0.008839 27O 3s -0.146538 0.103700 0.784203 0.369348 0.116217 -0.042339 27O 4s 0.478565 -0.659807 -1.965260 -1.157341 -0.752586 -0.175657 27O 5s 1.024085 0.641776 1.070401 -0.259819 -0.954584 -0.755738 27O 1pz -0.132967 -0.148218 -0.072460 -0.055915 -0.019950 -0.121347 27O 1px 0.024633 -0.107168 0.007160 -0.128000 -0.191050 -0.102093 27O 1py -0.001567 0.059891 0.005441 -0.004261 0.019488 0.136275 27O 2pz 0.215960 0.223627 0.092163 0.122962 0.053795 0.213268 27O 2px -0.320144 0.436709 0.352493 0.655473 0.817902 0.425857 27O 2py 0.084484 -0.143409 -0.088598 -0.033605 -0.140952 -0.356398 27O 3pz -0.233577 -0.538497 -0.342032 -0.114494 -0.178111 -0.386710 27O 3px -0.533902 -0.840542 0.030030 -0.165419 0.260296 -0.112118 27O 3py 0.122393 0.828348 0.185693 0.193720 0.335178 0.404731 27O 1dz2 -0.008353 -0.001702 -0.003056 0.007261 0.008098 0.005267 27O 1dxz -0.003056 -0.003249 0.003100 -0.004452 -0.002323 0.002417 27O 1dyz -0.001163 -0.001529 0.000182 -0.000482 0.001734 0.009363 27O 1dx2y2 0.003357 -0.002893 -0.004554 -0.006639 -0.006200 -0.004699 27O 1dxy -0.001249 -0.004125 -0.006415 0.000101 0.000020 0.009141 27O 2dz2 -0.109712 -0.082038 -0.072901 0.008812 0.035712 0.028675 27O 2dxz -0.031544 0.028208 0.015785 -0.043561 0.072189 -0.043655 27O 2dyz -0.016942 -0.010972 -0.000714 -0.014611 -0.016802 0.063004 27O 2dx2y2 0.034692 0.028874 0.042340 -0.054561 -0.096608 0.024213 27O 2dxy -0.046926 -0.109686 -0.044365 -0.061599 -0.129791 0.089433 27O 1f0 0.017789 0.017273 0.024221 -0.003111 -0.009544 0.016279 27O 1f+1 0.009604 -0.008703 -0.013571 -0.022351 -0.018857 -0.004663 27O 1f-1 -0.006136 -0.004326 0.000362 -0.001425 0.002110 0.002434 27O 1f+2 -0.020696 -0.020684 -0.014352 0.007371 0.003077 -0.014905 27O 1f-2 0.005224 -0.004259 0.000247 -0.008467 -0.017621 0.017286 27O 1f+3 0.018024 -0.007346 -0.016135 -0.020463 -0.016546 -0.005715 27O 1f-3 -0.012741 -0.012276 -0.001640 -0.011581 0.001593 0.014064 28O 1s -0.015958 -0.007798 0.020381 0.003003 -0.009344 0.004599 28O 2s -0.054458 -0.026358 0.071366 0.011618 -0.031949 0.016172 28O 3s 0.444199 0.201221 -0.531950 -0.106162 0.236175 -0.120635 28O 4s -1.077409 -0.421775 1.073617 0.196695 -0.692807 0.292532 28O 5s -0.263771 0.299702 -1.231212 0.213175 1.229373 -0.717046 28O 1pz -0.070743 -0.066575 -0.069988 -0.060661 -0.115311 0.078725 28O 1px 0.042564 -0.011998 0.061141 -0.021830 -0.053322 0.009408 28O 1py 0.010224 -0.036920 -0.008851 -0.114465 -0.144458 0.014992 28O 2pz 0.331568 0.120728 0.112960 0.091174 0.206452 -0.109588 28O 2px -0.306064 -0.031334 -0.089913 0.071953 0.050100 -0.049436 28O 2py 0.044467 0.116956 0.021101 0.203463 0.259705 -0.006336 28O 3pz 0.144101 -0.266151 0.066575 -0.470388 -0.628938 0.285766 28O 3px -0.370828 0.045938 -0.055357 0.009258 -0.026481 -0.054447 28O 3py -0.040204 0.032768 0.078530 -0.220865 -0.228816 -0.047331 28O 1dz2 -0.001126 0.000764 -0.005433 -0.000745 0.001676 -0.001744 28O 1dxz 0.005070 0.005998 0.001053 0.001330 0.001378 0.001695 28O 1dyz -0.000843 0.001698 -0.005761 -0.004885 0.004232 -0.004632 28O 1dx2y2 -0.002945 0.001046 0.001487 -0.000591 -0.003055 0.006236 28O 1dxy 0.001654 -0.000119 0.004185 -0.001053 0.002930 -0.007355 28O 2dz2 0.098445 0.071156 0.014039 -0.019368 0.082966 -0.055868 28O 2dxz 0.009124 -0.038279 0.068466 -0.053642 -0.128540 0.040758 28O 2dyz 0.053674 -0.002756 -0.000621 -0.067345 0.032866 -0.067309 28O 2dx2y2 -0.082700 -0.019536 -0.060610 0.053165 0.029584 0.003656 28O 2dxy -0.045849 0.032580 -0.000079 0.004362 0.050363 -0.001142 28O 1f0 -0.001769 -0.006375 -0.001333 -0.008255 -0.002348 -0.001650 28O 1f+1 -0.010717 -0.004439 0.003131 0.000511 0.006575 -0.008091 28O 1f-1 0.013799 0.001512 0.010249 -0.005196 -0.009443 -0.002405 28O 1f+2 0.005753 -0.000105 -0.006735 -0.000493 0.005976 0.005295 28O 1f-2 -0.016585 -0.008401 -0.000355 0.010215 0.010602 0.009788 28O 1f+3 0.000291 -0.006136 0.000362 0.001656 0.003582 0.000077 28O 1f-3 -0.012293 -0.006289 -0.004406 0.006408 0.005273 0.006889 29O 1s 0.002181 -0.006053 -0.036408 0.006432 0.009714 0.021449 29O 2s 0.007201 -0.020030 -0.121480 0.021347 0.032636 0.071498 29O 3s -0.044877 0.116668 0.745300 -0.132123 -0.207134 -0.443257 29O 4s 0.076520 -0.134803 -1.157710 0.199990 0.333757 0.646541 29O 5s -0.138924 0.305551 2.531249 -0.359715 -0.664929 -1.180053 29O 1pz 0.003545 0.007940 0.072870 -0.014781 -0.011070 -0.059413 29O 1px 0.021351 -0.045864 -0.155332 0.049875 0.056017 0.147500 29O 1py 0.002754 -0.003773 0.116218 -0.020924 -0.024403 -0.044160 29O 2pz -0.053640 -0.042368 -0.297515 0.087813 -0.075667 0.205031 29O 2px -0.070202 0.114344 0.494149 -0.105551 -0.197165 -0.361179 29O 2py 0.016813 -0.036286 -0.462583 0.073328 0.109592 0.208949 29O 3pz -0.034368 0.008042 0.082605 0.026518 -0.124655 -0.052418 29O 3px 0.033731 -0.028080 -0.570926 0.118041 0.107454 0.293785 29O 3py -0.015054 -0.173217 -0.379409 0.004396 0.151190 0.168553 29O 1dz2 -0.001032 0.000054 -0.008090 0.002563 -0.003299 0.003339 29O 1dxz 0.001851 -0.000654 -0.006013 0.000535 0.003674 0.003661 29O 1dyz -0.003911 -0.001280 -0.002854 0.000517 -0.004900 0.001361 29O 1dx2y2 -0.000544 0.000344 0.008923 -0.001361 -0.000960 -0.004114 29O 1dxy 0.000388 0.002260 0.002100 0.001032 -0.004462 0.000493 29O 2dz2 0.006442 0.018337 0.077039 -0.017940 0.004159 -0.045435 29O 2dxz -0.010080 0.008235 0.024284 0.002753 -0.026723 -0.019300 29O 2dyz 0.010280 0.000872 0.077712 -0.037942 0.045675 -0.047427 29O 2dx2y2 -0.008736 -0.010991 0.004625 0.001117 -0.003095 0.003916 29O 2dxy 0.034574 -0.005665 -0.148918 0.032492 0.054854 0.093726 29O 1f0 -0.000089 -0.005131 -0.013591 0.000453 0.005080 0.007158 29O 1f+1 0.000532 0.002712 0.007944 -0.000971 -0.001126 -0.003824 29O 1f-1 -0.002104 -0.007664 -0.012279 0.000902 -0.000569 0.006539 29O 1f+2 0.000827 -0.000476 0.003880 -0.001531 0.001403 -0.002702 29O 1f-2 -0.000146 -0.002455 -0.008089 -0.002896 0.005733 0.000640 29O 1f+3 -0.000336 -0.001099 -0.006601 0.001151 0.000799 0.002497 29O 1f-3 0.000010 -0.000017 0.003230 0.001310 -0.001603 -0.000723 30O 1s 0.000633 0.013235 0.024200 -0.008159 0.005546 -0.005973 30O 2s 0.001862 0.043740 0.083479 -0.028875 0.018555 -0.023142 30O 3s -0.065005 -0.336434 -0.618223 0.226014 -0.083824 0.210024 30O 4s 0.412458 0.906122 1.338512 -0.303332 0.048402 -0.435245 30O 5s 1.140457 -0.455605 -1.598548 -0.203310 -1.607476 -0.964071 30O 1pz 0.113865 0.219882 0.087791 0.111580 0.064496 0.152236 30O 1px -0.083525 0.038349 0.118204 0.002265 0.164803 0.047612 30O 1py 0.000459 -0.140015 -0.032323 -0.085101 -0.092998 -0.176379 30O 2pz -0.403569 -0.497746 -0.172114 -0.156814 -0.001996 -0.164906 30O 2px 0.358242 0.088082 -0.149602 -0.003418 -0.432911 -0.221725 30O 2py 0.184059 0.309982 0.061261 0.135110 0.007555 0.207301 30O 3pz -0.175595 0.631582 0.201447 0.386331 0.489913 0.420235 30O 3px 0.309887 -0.036943 0.162217 0.038017 -0.229706 -0.095307 30O 3py 0.063451 -0.851727 -0.427343 -0.693179 -0.660461 -0.514202 30O 1dz2 0.001113 0.006603 -0.001668 0.001793 0.008156 -0.006110 30O 1dxz -0.004565 -0.007989 -0.002647 -0.005475 0.003191 -0.001843 30O 1dyz -0.005591 -0.004181 0.006122 -0.001616 0.003589 -0.006351 30O 1dx2y2 -0.001785 -0.000860 0.005573 -0.000261 -0.004702 0.007533 30O 1dxy 0.003014 0.008737 0.000490 -0.001089 -0.000577 0.003435 30O 2dz2 0.008567 0.091114 0.055325 0.011602 0.100068 0.040830 30O 2dxz -0.098674 0.020566 0.056832 0.051813 0.092634 0.029241 30O 2dyz 0.001786 0.090233 0.086676 0.039296 0.094008 -0.009915 30O 2dx2y2 0.093413 0.087424 0.003103 0.024697 -0.019133 -0.027963 30O 2dxy 0.004373 -0.113560 -0.128012 -0.053384 -0.072900 -0.071216 30O 1f0 0.013379 0.008389 0.000592 -0.000672 -0.003924 -0.005978 30O 1f+1 0.005897 0.002266 -0.009162 -0.005177 -0.004586 -0.017588 30O 1f-1 0.003734 -0.010127 -0.014813 -0.001860 -0.004044 -0.019138 30O 1f+2 0.007333 -0.010102 -0.016372 -0.007052 -0.014076 -0.003711 30O 1f-2 -0.012452 -0.001262 -0.001943 0.011101 0.018473 0.010351 30O 1f+3 0.006465 0.003163 -0.003454 -0.008955 -0.017163 0.003574 30O 1f-3 0.000233 -0.006293 -0.007962 -0.004525 0.002357 -0.001375 31O 1s 0.001660 0.013545 -0.023095 -0.009360 -0.004414 -0.007158 31O 2s 0.005676 0.044827 -0.079567 -0.032901 -0.014453 -0.027224 31O 3s 0.014060 -0.346429 0.588659 0.247422 0.051632 0.236506 31O 4s -0.342796 0.931280 -1.284978 -0.328649 -0.012925 -0.474094 31O 5s -1.104383 -0.420229 1.550392 0.065949 1.671583 -0.813996 31O 1pz 0.107062 -0.217986 0.092490 -0.098378 0.087062 -0.147213 31O 1px -0.103839 -0.034667 0.114884 0.024045 0.165033 -0.031480 31O 1py 0.006390 0.140106 -0.042134 0.070159 -0.114675 0.175473 31O 2pz -0.373476 0.500392 -0.179003 0.150076 -0.035492 0.163779 31O 2px 0.386495 -0.101144 -0.145464 -0.064431 -0.433351 0.182138 31O 2py 0.170329 -0.317454 0.076757 -0.131649 0.043054 -0.215822 31O 3pz -0.222299 -0.617012 0.208617 -0.302450 0.561421 -0.390686 31O 3px 0.295854 0.024795 0.174662 -0.072716 -0.229234 0.074704 31O 3py 0.170518 0.835558 -0.450431 0.576494 -0.786447 0.470005 31O 1dz2 -0.000453 0.006499 0.002040 0.000537 -0.008264 -0.006678 31O 1dxz 0.005541 -0.008037 0.002851 -0.005882 -0.002108 -0.002158 31O 1dyz 0.003974 -0.004269 -0.005791 -0.002160 -0.003196 -0.006687 31O 1dx2y2 0.000779 -0.000874 -0.005926 0.000371 0.004499 0.008017 31O 1dxy -0.002827 0.008889 -0.000778 -0.001007 0.000387 0.003629 31O 2dz2 0.006662 0.087624 -0.053777 -0.005094 -0.102835 0.031334 31O 2dxz 0.102683 0.017833 -0.055285 0.037010 -0.100753 0.022748 31O 2dyz -0.017269 0.090593 -0.085137 0.023626 -0.102283 -0.014535 31O 2dx2y2 -0.103820 0.090516 -0.004223 0.026459 0.013772 -0.022694 31O 2dxy -0.027331 -0.111055 0.127899 -0.038691 0.083188 -0.061791 31O 1f0 0.012710 -0.008745 0.000238 0.000189 -0.004208 0.005868 31O 1f+1 0.006106 -0.002750 -0.009442 0.004191 -0.005474 0.016846 31O 1f-1 0.003879 0.009780 -0.014927 0.000995 -0.004790 0.018287 31O 1f+2 0.009037 0.009278 -0.016353 0.005011 -0.015131 0.002930 31O 1f-2 -0.012540 0.001879 -0.001519 -0.008305 0.020137 -0.009322 31O 1f+3 0.007417 -0.003630 -0.003674 0.006574 -0.018063 -0.004160 31O 1f-3 0.003557 0.006198 -0.008191 0.004740 0.001633 0.001251 32O 1s -0.010008 -0.006253 0.036073 0.005044 -0.011425 0.021373 32O 2s -0.033344 -0.020721 0.120345 0.016653 -0.038351 0.071179 32O 3s 0.207363 0.121500 -0.737824 -0.101349 0.243302 -0.439274 32O 4s -0.310518 -0.143062 1.146557 0.149172 -0.389979 0.637823 32O 5s 0.532289 0.314949 -2.518885 -0.273910 0.759781 -1.191518 32O 1pz -0.015557 -0.009066 0.067927 0.011873 -0.014678 0.056196 32O 1px 0.076394 0.048261 -0.153439 -0.039995 0.068337 -0.143564 32O 1py -0.014860 0.003242 0.116490 0.017341 -0.029011 0.044258 32O 2pz -0.010634 0.042362 -0.279639 -0.096471 -0.056648 -0.200899 32O 2px -0.207427 -0.119734 0.493277 0.076311 -0.223536 0.357450 32O 2py 0.090253 0.037675 -0.464169 -0.061310 0.123663 -0.213979 32O 3pz -0.078550 -0.012744 0.088155 -0.045089 -0.121793 0.047512 32O 3px 0.118807 0.030785 -0.564490 -0.100284 0.137996 -0.289672 32O 3py 0.045482 0.176057 -0.379249 0.011230 0.152655 -0.175644 32O 1dz2 0.000231 0.000043 0.008106 0.003101 0.002697 0.003591 32O 1dxz -0.003373 -0.000745 0.006001 -0.000024 -0.003805 0.003551 32O 1dyz 0.003880 -0.001265 0.002888 0.001299 0.004738 0.001576 32O 1dx2y2 0.001676 0.000288 -0.008842 -0.001255 0.001376 -0.004301 32O 1dxy 0.000235 0.002311 -0.002077 0.001613 0.004160 0.000474 32O 2dz2 0.005985 0.017651 -0.073274 -0.017181 0.003086 -0.045430 32O 2dxz 0.016159 0.007622 -0.026312 0.005733 0.028650 -0.021470 32O 2dyz -0.003339 0.000765 -0.079236 -0.045253 -0.037283 -0.051065 32O 2dx2y2 0.007441 -0.011177 -0.004737 0.002562 0.005713 0.003964 32O 2dxy -0.067829 -0.006232 0.147976 0.025376 -0.060927 0.093256 32O 1f0 0.002320 0.004634 -0.012657 0.000148 0.005287 -0.007009 32O 1f+1 -0.001000 -0.002845 0.008492 0.000792 -0.001714 0.004181 32O 1f-1 -0.000707 0.007822 -0.012877 -0.001139 -0.000086 -0.007298 32O 1f+2 0.000553 0.000166 0.004422 0.001697 0.000858 0.003056 32O 1f-2 0.001626 0.002388 -0.007423 0.003720 0.005167 -0.000425 32O 1f+3 0.000232 0.001151 -0.006689 -0.000872 0.001383 -0.002636 32O 1f-3 -0.000030 0.000086 0.002955 -0.001473 -0.001295 0.000729 33O 1s 0.017413 -0.007783 -0.020007 0.003827 0.008720 0.003819 33O 2s 0.059159 -0.026301 -0.070100 0.014449 0.029629 0.013489 33O 3s -0.486384 0.200730 0.524357 -0.128626 -0.217198 -0.103869 33O 4s 1.231823 -0.415804 -1.071692 0.284457 0.655911 0.280615 33O 5s 0.388203 0.271674 1.213820 0.079050 -1.211063 -0.641919 33O 1pz -0.107197 0.066056 -0.063726 0.042830 -0.121371 -0.083917 33O 1px 0.051822 0.010966 0.057241 0.018346 -0.055225 -0.003098 33O 1py -0.025206 0.032254 -0.009460 0.094877 -0.156775 -0.014045 33O 2pz 0.443246 -0.121090 0.098479 -0.054162 0.219024 0.128360 33O 2px -0.382915 0.033376 -0.078045 -0.077153 0.054568 0.027231 33O 2py 0.108656 -0.108426 0.022644 -0.167890 0.283247 0.005940 33O 3pz -0.042899 0.253766 0.084460 0.383897 -0.674419 -0.275143 33O 3px -0.367308 -0.044259 -0.058035 -0.021255 -0.026432 0.028552 33O 3py -0.191395 -0.034121 0.083850 0.188216 -0.255131 0.053601 33O 1dz2 0.001878 0.000617 0.005402 -0.001004 -0.001426 -0.001691 33O 1dxz -0.007132 0.005995 -0.001061 0.000991 -0.001589 0.001533 33O 1dyz 0.001655 0.001618 0.005941 -0.005525 -0.003495 -0.004619 33O 1dx2y2 0.002863 0.001240 -0.001860 -0.000151 0.002934 0.006729 33O 1dxy -0.003167 -0.000095 -0.003914 -0.001460 -0.002446 -0.007340 33O 2dz2 -0.112320 0.069667 -0.011758 -0.033726 -0.075992 -0.057738 33O 2dxz 0.004352 -0.035598 -0.068318 -0.037237 0.132220 0.037790 33O 2dyz -0.054895 -0.000655 0.004662 -0.074156 -0.022712 -0.069376 33O 2dx2y2 0.079453 -0.020489 0.058222 0.052141 -0.035569 0.010799 33O 2dxy 0.055969 0.029583 -0.001408 -0.001614 -0.049110 -0.000474 33O 1f0 -0.002434 0.006585 -0.001368 0.008046 -0.003743 0.001179 33O 1f+1 -0.012255 0.004430 0.002733 -0.000190 0.006095 0.007601 33O 1f-1 0.013312 -0.002104 0.010058 0.004169 -0.009849 0.002539 33O 1f+2 0.008784 0.000456 -0.006770 0.001308 0.005967 -0.005033 33O 1f-2 -0.012878 0.008647 0.000045 -0.008559 0.011737 -0.010083 33O 1f+3 0.003158 0.006306 0.000205 -0.001293 0.003596 -0.000353 33O 1f-3 -0.012538 0.006317 -0.003845 -0.005521 0.006060 -0.007044 34O 1s -0.004372 -0.001110 0.027385 -0.011048 0.003425 0.002817 34O 2s -0.015299 -0.005840 0.096177 -0.038035 0.011398 0.011947 34O 3s 0.165628 0.094409 -0.778855 0.337569 -0.170529 -0.068172 34O 4s -0.539186 -0.626809 1.972889 -1.015695 0.929984 -0.106894 34O 5s -0.815270 0.695513 -1.044087 -0.150533 0.995077 -0.736443 34O 1pz -0.120101 0.146792 -0.073223 0.047861 -0.032420 0.115809 34O 1px 0.032795 0.102009 0.001382 0.100617 -0.211047 0.092739 34O 1py -0.005528 -0.060568 0.011346 0.008330 0.023957 -0.140410 34O 2pz 0.185841 -0.219657 0.094089 -0.105521 0.078558 -0.202314 34O 2px -0.323952 -0.408783 0.374373 -0.533473 0.922534 -0.386183 34O 2py 0.082260 0.140223 -0.101023 0.010649 -0.157767 0.358346 34O 3pz -0.240678 0.538874 -0.343698 0.079669 -0.217091 0.361230 34O 3px -0.455423 0.860224 0.028674 0.191963 0.211226 0.111670 34O 3py 0.087709 -0.828592 0.194293 -0.135867 0.393602 -0.386220 34O 1dz2 0.007344 -0.002126 0.002946 0.006149 -0.009216 0.005073 34O 1dxz 0.003284 -0.003103 -0.003286 -0.003973 0.002914 0.002544 34O 1dyz 0.000594 -0.001698 -0.000296 -0.000756 -0.001913 0.009125 34O 1dx2y2 -0.004560 -0.002598 0.004838 -0.005718 0.007203 -0.004203 34O 1dxy 0.001008 -0.004378 0.006232 0.000049 -0.000199 0.009144 34O 2dz2 0.095467 -0.084898 0.071277 0.005791 -0.036602 0.030192 34O 2dxz 0.023579 0.030600 -0.014147 -0.051708 -0.065582 -0.045740 34O 2dyz 0.009726 -0.013382 0.001291 -0.012927 0.016761 0.060406 34O 2dx2y2 -0.036691 0.031402 -0.040654 -0.042260 0.101368 0.027872 34O 2dxy 0.023641 -0.109801 0.042711 -0.041300 0.135907 0.097801 34O 1f0 0.017278 -0.017615 0.024441 0.002147 -0.009340 -0.015919 34O 1f+1 0.009023 0.007771 -0.013716 0.019228 -0.022183 0.003358 34O 1f-1 -0.005763 0.004522 0.000339 0.001650 0.001825 -0.002228 34O 1f+2 -0.021847 0.021240 -0.014334 -0.007225 0.003394 0.014461 34O 1f-2 0.005801 0.004421 0.000200 0.006054 -0.018616 -0.017753 34O 1f+3 0.017118 0.006571 -0.016720 0.017886 -0.019918 0.005575 34O 1f-3 -0.013544 0.012970 -0.001649 0.011546 -0.000225 -0.013486 35O 1s -0.000609 -0.001929 0.018247 0.001401 -0.011628 -0.002406 35O 2s -0.005012 -0.006089 0.063811 0.003646 -0.040413 -0.008677 35O 3s 0.015742 0.066503 -0.502596 -0.040549 0.372872 0.075966 35O 4s -0.055278 -0.225794 1.113455 0.201136 -1.255002 -0.227458 35O 5s 2.042282 -0.524783 -0.384001 0.146819 0.165529 0.000031 35O 1pz 0.129201 -0.071414 -0.020755 -0.016610 0.026942 0.040054 35O 1px -0.078422 0.054669 0.040916 -0.049211 0.070379 -0.012395 35O 1py -0.039311 0.005217 0.037632 -0.086247 0.161177 0.027073 35O 2pz -0.159622 0.094921 0.043817 0.002646 -0.078322 -0.078892 35O 2px 0.346766 -0.230459 0.091446 0.141939 -0.515961 -0.072273 35O 2py 0.184609 -0.031677 -0.011784 0.249335 -0.470779 -0.104287 35O 3pz 0.460309 -0.359590 -0.017838 0.029257 0.340326 0.367142 35O 3px 0.671967 -0.278064 0.418611 -0.018001 -0.188319 0.124380 35O 3py 0.322468 -0.084416 0.138076 0.071199 0.393448 0.232087 35O 1dz2 -0.004324 0.001706 -0.002297 -0.004790 0.005177 -0.007100 35O 1dxz 0.004420 0.000549 -0.007729 -0.000572 0.006293 0.000126 35O 1dyz 0.010977 -0.000034 -0.000401 0.002344 -0.002231 0.003457 35O 1dx2y2 0.006425 -0.002358 0.005372 0.004146 -0.004445 0.004314 35O 1dxy 0.009669 -0.004944 -0.002299 0.005102 -0.000258 -0.004703 35O 2dz2 -0.043086 0.039749 0.022422 -0.032323 0.050011 -0.037089 35O 2dxz 0.045069 -0.019634 0.013510 -0.023238 0.093169 0.014242 35O 2dyz 0.128484 -0.000713 0.034609 -0.010735 0.026983 0.001815 35O 2dx2y2 0.040143 -0.064638 0.003402 -0.056257 0.006658 0.002897 35O 2dxy 0.143876 -0.007105 -0.009496 0.078428 0.023216 0.009534 35O 1f0 -0.023596 0.004965 0.005282 0.000242 -0.004189 -0.012681 35O 1f+1 -0.005475 -0.001128 -0.010576 -0.001441 0.004151 0.003140 35O 1f-1 -0.001409 -0.001179 -0.009052 -0.008316 0.002304 0.003414 35O 1f+2 0.032009 -0.011512 -0.004601 0.000548 0.009000 0.013141 35O 1f-2 0.011737 -0.005572 -0.005325 -0.006699 0.005239 0.008486 35O 1f+3 -0.002966 0.005587 -0.015874 0.007476 0.030714 -0.010892 35O 1f-3 -0.012621 0.004431 -0.005003 -0.008519 0.015095 0.012524 498 499 500 501 502 503 3.10514 3.11420 3.12632 3.13105 3.13774 3.14062 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s -0.002867 -0.001841 0.000037 0.001700 0.001836 -0.000979 0Rh 2s 0.025613 0.014150 0.000334 -0.016387 -0.009614 0.009688 0Rh 3s -0.001482 -0.002340 0.000425 0.000154 0.005056 0.000078 0Rh 4s -0.135939 -0.075086 -0.001679 0.086964 0.050897 -0.050558 0Rh 5s 0.284919 0.148263 0.004867 -0.185841 -0.077292 0.097277 0Rh 6s -0.230951 -0.083682 -0.007759 0.161926 -0.068997 -0.019012 0Rh 7s -0.008682 -0.051333 0.003953 0.028927 1.029604 -0.644539 0Rh 8s 0.236090 0.068657 0.057719 -0.166033 -0.301194 0.048190 0Rh 1pz 0.001320 0.005118 -0.001118 -0.001899 -0.002730 0.002367 0Rh 1px 0.000784 -0.000997 -0.000974 -0.001371 0.008092 -0.001887 0Rh 1py 0.000133 0.001732 0.000427 -0.002374 0.001253 -0.000663 0Rh 2pz -0.005704 -0.019895 0.004180 0.007000 0.009770 -0.008376 0Rh 2px -0.002869 0.003808 0.003523 0.005053 -0.030006 0.006643 0Rh 2py -0.000766 -0.006834 -0.001236 0.009025 -0.004542 0.002512 0Rh 3pz 0.025437 0.048310 -0.006622 -0.009175 -0.005979 0.002898 0Rh 3px 0.003088 -0.007336 -0.003010 -0.005978 0.041380 -0.001636 0Rh 3py 0.007286 0.018816 -0.005800 -0.017808 0.004614 -0.004705 0Rh 4pz -0.065488 -0.052641 -0.005457 -0.014708 -0.054245 0.056789 0Rh 4px 0.011639 -0.001721 -0.015397 -0.020524 0.070204 -0.047823 0Rh 4py -0.027809 -0.028942 0.036406 0.005725 0.014364 0.000152 0Rh 5pz 0.128207 0.077922 0.022708 0.015390 0.131472 -0.123215 0Rh 5px -0.045251 0.024343 0.033776 0.105169 -0.240630 0.119147 0Rh 5py 0.059936 0.055311 -0.079191 0.004323 -0.035621 0.007969 0Rh 6pz -0.532827 0.912166 -0.254802 0.511031 -0.602684 -0.502890 0Rh 6px 0.642101 0.077799 0.002734 -1.902701 0.967345 -0.737442 0Rh 6py -0.182457 0.190914 0.229279 -0.302215 -0.336874 -0.531300 0Rh 1dz2 -0.017080 0.004152 -0.000721 -0.007857 0.011536 0.000629 0Rh 1dxz 0.007961 0.011681 0.003812 -0.009260 0.002182 0.002801 0Rh 1dyz 0.007122 -0.005226 0.025494 0.000417 0.006881 0.002972 0Rh 1dx2y2 0.014607 0.009209 0.000977 0.016108 -0.005772 -0.005498 0Rh 1dxy 0.006030 0.005609 -0.005333 0.013294 -0.016328 -0.005092 0Rh 2dz2 -0.002272 0.001821 -0.001470 -0.001626 0.001289 -0.001574 0Rh 2dxz 0.002053 0.001057 0.000490 0.000631 -0.000390 -0.001496 0Rh 2dyz -0.000319 -0.000153 0.002109 -0.001231 -0.000802 -0.000510 0Rh 2dx2y2 0.000205 0.001102 0.001053 0.000972 -0.000953 0.002199 0Rh 2dxy 0.000299 0.000028 -0.001746 0.001308 -0.002095 0.000594 0Rh 3dz2 0.064245 -0.021218 0.008908 0.032592 -0.042498 0.004972 0Rh 3dxz -0.034599 -0.041838 -0.014345 0.027064 -0.005315 -0.002388 0Rh 3dyz -0.021035 0.017439 -0.090543 0.004398 -0.018249 -0.007278 0Rh 3dx2y2 -0.046932 -0.034372 -0.007846 -0.056104 0.022709 0.007888 0Rh 3dxy -0.020339 -0.018009 0.024828 -0.048344 0.061655 0.013670 0Rh 4dz2 -0.053379 0.028769 -0.020688 -0.039353 0.033629 -0.017288 0Rh 4dxz 0.042410 0.030771 0.012963 -0.012294 -0.000457 -0.011180 0Rh 4dyz 0.004935 -0.012395 0.067231 -0.018936 -0.002224 -0.000424 0Rh 4dx2y2 0.018390 0.030902 0.016364 0.047069 -0.022188 0.014661 0Rh 4dxy 0.010816 0.008744 -0.031439 0.040645 -0.054655 -0.001904 0Rh 5dz2 -0.057274 -0.006457 0.012222 0.039511 0.047990 -0.035163 0Rh 5dxz -0.061789 0.029733 -0.002821 -0.022378 0.027332 -0.039902 0Rh 5dyz 0.023025 0.023913 -0.015407 0.028672 0.075847 -0.011673 0Rh 5dx2y2 0.132667 -0.010098 -0.054221 -0.025315 -0.027025 0.065083 0Rh 5dxy 0.027947 0.035661 0.002271 -0.009111 -0.029552 0.009887 0Rh 1f0 -0.003836 0.001861 0.009232 -0.004050 0.007817 -0.004401 0Rh 1f+1 0.013944 0.006268 -0.015368 0.010271 -0.010406 -0.011350 0Rh 1f-1 0.004485 -0.016707 0.002636 0.028824 0.001298 -0.009774 0Rh 1f+2 -0.003316 0.022277 0.008173 0.003292 -0.022796 0.019222 0Rh 1f-2 -0.006399 -0.005467 -0.014787 0.002776 -0.013084 0.005989 0Rh 1f+3 0.016495 0.010140 -0.002100 0.020011 -0.008541 -0.005469 0Rh 1f-3 0.013114 0.004220 0.005198 0.009145 -0.010232 -0.002559 1Rh 1s 0.002892 -0.001818 -0.000012 -0.001568 0.001860 -0.001063 1Rh 2s -0.025831 0.013989 -0.000502 0.015205 -0.009879 0.010542 1Rh 3s 0.001497 -0.002303 -0.000378 -0.000088 0.005039 0.000096 1Rh 4s 0.137095 -0.074236 0.002601 -0.080741 0.052302 -0.055083 1Rh 5s -0.287293 0.146638 -0.006986 0.173541 -0.080419 0.107017 1Rh 6s 0.232633 -0.082979 0.011083 -0.156412 -0.065812 -0.027670 1Rh 7s 0.007514 -0.052456 -0.029559 0.004681 1.030569 -0.640186 1Rh 8s -0.235817 0.061538 -0.055104 0.164005 -0.294804 0.066564 1Rh 1pz 0.001546 -0.005042 -0.001116 -0.001546 0.002598 -0.002689 1Rh 1px 0.000862 0.000963 -0.000895 -0.001503 -0.008140 0.001943 1Rh 1py 0.000084 -0.001764 0.000432 -0.002350 -0.000983 0.000381 1Rh 2pz -0.006581 0.019584 0.004136 0.005681 -0.009326 0.009598 1Rh 2px -0.003167 -0.003684 0.003248 0.005522 0.030179 -0.006843 1Rh 2py -0.000576 0.006955 -0.001268 0.008954 0.003490 -0.001507 1Rh 3pz 0.027562 -0.047209 -0.005735 -0.007097 0.006346 -0.005194 1Rh 3px 0.003717 0.007233 -0.003007 -0.006188 -0.041507 0.001703 1Rh 3py 0.006883 -0.019077 -0.005480 -0.018040 -0.001988 0.004139 1Rh 4pz -0.067880 0.050303 -0.009154 -0.013243 0.048983 -0.056523 1Rh 4px 0.011226 0.001077 -0.013203 -0.023557 -0.070997 0.049009 1Rh 4py -0.027666 0.029065 0.035019 0.007211 -0.017508 -0.005915 1Rh 5pz 0.131957 -0.073877 0.030295 0.011802 -0.119762 0.123893 1Rh 5px -0.044751 -0.022231 0.028945 0.113087 0.242398 -0.119517 1Rh 5py 0.060576 -0.055153 -0.076280 0.001756 0.039939 0.005831 1Rh 6pz -0.514327 -0.915969 -0.221687 0.495523 0.564107 0.504651 1Rh 6px 0.651403 -0.096605 0.023671 -1.937480 -0.974585 0.660983 1Rh 6py -0.208570 -0.198363 0.281672 -0.341390 0.359513 0.463164 1Rh 1dz2 0.016972 0.004789 -0.000165 0.007730 0.013353 0.001049 1Rh 1dxz -0.008076 0.011691 -0.004188 0.008738 0.000466 0.002827 1Rh 1dyz -0.007122 -0.006291 -0.025895 -0.000583 0.006914 0.003576 1Rh 1dx2y2 -0.014712 0.008467 -0.001712 -0.015919 -0.006081 -0.005479 1Rh 1dxy -0.005982 0.005196 0.004851 -0.012807 -0.016266 -0.007574 1Rh 2dz2 0.002235 0.001906 0.001274 0.001669 0.001607 -0.001484 1Rh 2dxz -0.002020 0.001002 -0.000608 -0.000560 -0.000715 -0.001632 1Rh 2dyz 0.000350 -0.000298 -0.002103 0.001276 -0.000788 -0.000272 1Rh 2dx2y2 -0.000214 0.001058 -0.001051 -0.001102 -0.001012 0.002359 1Rh 2dxy -0.000291 -0.000019 0.001737 -0.001335 -0.002145 0.000203 1Rh 3dz2 -0.063742 -0.023614 -0.005225 -0.032375 -0.049727 0.003209 1Rh 3dxz 0.034821 -0.041625 0.016066 -0.025713 0.001618 -0.001866 1Rh 3dyz 0.020902 0.021472 0.091757 -0.004058 -0.018425 -0.010291 1Rh 3dx2y2 0.047308 -0.031818 0.010182 0.056085 0.023963 0.007126 1Rh 3dxy 0.020151 -0.016485 -0.023261 0.046910 0.061669 0.023352 1Rh 4dz2 0.052767 0.030758 0.017105 0.039534 0.040844 -0.015109 1Rh 4dxz -0.042178 0.030049 -0.014929 0.012228 -0.007526 -0.012877 1Rh 4dyz -0.004549 -0.015983 -0.067068 0.019083 -0.001812 0.003945 1Rh 4dx2y2 -0.018721 0.029215 -0.017685 -0.048202 -0.023515 0.016525 1Rh 4dxy -0.010610 0.007483 0.030774 -0.040196 -0.055012 -0.011111 1Rh 5dz2 0.057441 -0.004059 -0.018170 -0.035571 0.044858 -0.037738 1Rh 5dxz 0.060980 0.032239 0.001063 0.023001 0.030328 -0.035123 1Rh 5dyz -0.023418 0.024579 0.001565 -0.026593 0.072410 -0.015774 1Rh 5dx2y2 -0.132330 -0.013157 0.055472 0.021031 -0.026143 0.062357 1Rh 5dxy -0.028433 0.035318 -0.006024 0.010026 -0.030745 0.011968 1Rh 1f0 -0.003561 -0.001843 0.009998 -0.004791 -0.007029 0.004443 1Rh 1f+1 0.013781 -0.006061 -0.015494 0.009477 0.010925 0.010777 1Rh 1f-1 0.003768 0.017103 0.003258 0.026841 -0.000627 0.010851 1Rh 1f+2 -0.002089 -0.021807 0.008354 0.005510 0.022330 -0.018153 1Rh 1f-2 -0.006483 0.005037 -0.016289 0.002906 0.014428 -0.005532 1Rh 1f+3 0.016393 -0.009165 -0.001683 0.020041 0.007579 0.005400 1Rh 1f-3 0.012737 -0.003509 0.006383 0.008692 0.011261 0.003497 2C 1s -0.001692 0.010507 0.004994 0.007183 -0.019777 0.011476 2C 2s -0.006628 0.028895 0.014039 0.016984 -0.055224 0.034183 2C 3s -0.047481 0.194889 0.082764 0.356627 -0.106686 0.032217 2C 4s 0.580314 -1.868538 -0.841079 -2.384238 1.925931 -0.865973 2C 5s 0.163165 -1.077742 -0.021416 0.206678 1.278130 -1.396930 2C 1pz 0.016391 0.049030 -0.030235 0.156328 -0.084670 -0.004239 2C 1px 0.023289 -0.016728 0.000995 -0.080326 0.029457 -0.010010 2C 1py 0.007593 0.065159 0.080437 0.040387 0.014664 0.050995 2C 2pz 0.420168 -0.552568 0.077586 -1.357141 0.450841 0.126512 2C 2px 0.152503 0.055377 -0.120191 0.611091 -0.446130 0.212004 2C 2py 0.315506 -0.739134 -0.661821 -0.549228 -0.156282 -0.233745 2C 3pz -0.011451 -0.053626 0.263264 0.003619 0.571453 -0.398601 2C 3px 0.331082 -0.482909 -0.262228 -0.089922 0.218326 0.033523 2C 3py 0.173210 -0.502941 -0.451142 -0.046199 0.127609 -0.500629 2C 1dz2 0.226768 -0.412033 -0.450202 0.065738 -0.263180 -0.058631 2C 1dxz -0.156075 0.264399 0.202511 0.076352 0.035402 -0.005287 2C 1dyz -0.138291 0.307857 0.310079 -0.003451 0.064257 0.199749 2C 1dx2y2 -0.213799 0.211224 0.074764 -0.034833 0.051933 -0.194038 2C 1dxy -0.120851 0.079195 -0.141616 0.104337 -0.133316 -0.222337 2C 2dz2 -0.012818 0.224025 0.492939 -0.490477 0.366180 0.107909 2C 2dxz -0.013331 -0.281261 -0.270884 -0.053467 -0.082638 0.152364 2C 2dyz 0.444338 -0.499548 -0.488343 -0.155228 -0.242569 -0.294295 2C 2dx2y2 0.254369 -0.029298 -0.091105 0.488516 -0.260898 0.089992 2C 2dxy 0.054008 0.077984 0.301097 -0.005781 0.174639 0.335943 2C 1f0 0.007238 0.078929 0.069445 -0.022219 0.045573 -0.004347 2C 1f+1 0.011820 -0.136367 -0.021638 -0.151560 0.094315 0.082302 2C 1f-1 0.084332 0.066113 0.027709 0.024709 -0.055059 -0.042439 2C 1f+2 -0.055622 0.103477 0.094305 0.027160 -0.030502 0.078789 2C 1f-2 0.016962 -0.162396 -0.064347 -0.117428 0.086666 0.053227 2C 1f+3 0.046508 -0.066218 -0.054609 -0.035894 -0.050334 0.023980 2C 1f-3 0.038596 -0.032284 -0.001713 -0.018499 -0.018148 -0.035032 3C 1s -0.003103 0.006714 0.000273 0.001134 -0.011205 0.012105 3C 2s -0.009109 0.019566 0.001550 0.001824 -0.032944 0.034732 3C 3s -0.135132 -0.040960 -0.064074 0.132740 0.147552 0.164204 3C 4s 1.090108 -0.167200 0.234649 -0.639066 0.028705 -1.629310 3C 5s 0.324911 -0.135230 0.667545 -0.336426 0.872247 -1.801660 3C 1pz -0.038922 -0.009097 -0.032407 0.036919 0.038627 0.061145 3C 1px -0.000810 -0.011929 -0.006781 -0.091616 -0.008102 0.014068 3C 1py 0.012734 -0.001492 0.018026 -0.096909 -0.033319 -0.046495 3C 2pz 0.529184 0.228219 0.149357 -0.206294 -0.216310 -0.565587 3C 2px 0.297340 0.182602 0.094081 0.695228 -0.165792 -0.060595 3C 2py -0.513202 -0.101383 -0.113571 0.598295 0.550727 0.244051 3C 3pz 0.131416 0.001156 0.000738 0.074732 0.191517 -0.451726 3C 3px 0.470539 -0.076842 0.468519 0.048011 -0.305584 -0.374929 3C 3py 0.037133 0.063435 -0.031042 0.167867 -0.465351 0.479991 3C 1dz2 0.010597 -0.090247 -0.052377 -0.143346 -0.017816 0.187885 3C 1dxz 0.124189 0.002977 0.078046 0.104500 -0.115579 0.051292 3C 1dyz 0.006997 -0.010782 -0.035711 0.019893 0.081761 -0.113730 3C 1dx2y2 -0.225845 -0.023016 -0.202979 -0.071699 0.261973 -0.011471 3C 1dxy 0.406294 0.007219 0.276107 0.098512 -0.318513 -0.152491 3C 2dz2 0.113217 0.126217 0.062070 0.209957 0.026532 -0.280970 3C 2dxz -0.176944 -0.037137 -0.045872 -0.292793 0.110468 -0.032701 3C 2dyz -0.293959 -0.034085 -0.005602 0.090509 0.178759 0.292204 3C 2dx2y2 -0.041957 -0.073676 0.148457 0.294364 -0.069898 0.082907 3C 2dxy -0.457947 -0.113053 -0.247796 -0.424047 0.302114 0.137174 3C 1f0 -0.048941 -0.002634 0.011606 0.002367 0.067090 -0.016839 3C 1f+1 0.007039 0.001564 0.009296 -0.035396 -0.016375 -0.022724 3C 1f-1 0.062489 -0.037756 0.024515 -0.029213 -0.008376 0.020559 3C 1f+2 0.025312 -0.005204 0.064367 -0.026135 -0.059928 0.031573 3C 1f-2 -0.074935 0.028323 -0.114657 0.038692 0.060097 0.061026 3C 1f+3 0.083715 0.000488 0.002375 -0.000941 -0.030269 -0.015508 3C 1f-3 -0.045073 -0.015713 0.073671 -0.013958 -0.044742 0.016665 4C 1s 0.005760 0.001347 -0.000204 0.002937 -0.003177 0.003500 4C 2s 0.016469 0.006022 0.000151 0.010913 -0.009986 0.008345 4C 3s 0.375582 -0.183606 -0.149666 -0.115385 0.099816 -0.254809 4C 4s -2.158156 0.739758 0.681524 0.486533 -0.235840 0.704129 4C 5s -1.549572 0.334710 0.200536 -0.777269 -0.639238 0.936965 4C 1pz -0.014137 0.097519 0.042812 0.142404 -0.096207 0.010584 4C 1px 0.045953 0.006733 0.030581 0.048484 -0.033927 -0.013647 4C 1py 0.012387 0.041620 0.003390 0.105065 -0.086248 -0.017883 4C 2pz 0.116380 -1.114534 -0.334618 -1.997270 0.808386 -0.296069 4C 2px -0.618468 0.093331 -0.220609 0.648449 -0.386500 0.434560 4C 2py -0.207730 -0.494022 -0.047475 -1.002832 0.487740 0.138405 4C 3pz -0.392914 -1.173839 -0.408679 -0.443944 1.245723 -1.105470 4C 3px -0.232693 1.038570 0.499048 1.087804 -0.716812 -0.648386 4C 3py -0.376782 -0.143356 0.443095 0.170659 0.763131 -0.648172 4C 1dz2 -0.008108 -0.072491 -0.076492 0.004692 -0.053329 0.028853 4C 1dxz 0.052744 -0.012490 -0.027901 -0.032831 -0.061005 -0.168225 4C 1dyz 0.181402 -0.048595 -0.025422 -0.011165 -0.085475 0.060245 4C 1dx2y2 0.197487 -0.133033 -0.149350 0.061714 -0.040062 -0.147328 4C 1dxy 0.079294 0.207911 0.111641 0.055975 0.019041 -0.109905 4C 2dz2 0.148351 0.419583 0.412972 -0.020267 0.059000 -0.229385 4C 2dxz -0.383885 0.441397 0.083423 0.943899 -0.291136 0.550011 4C 2dyz -0.544401 0.327137 0.146225 0.272691 -0.032883 -0.128404 4C 2dx2y2 -0.474801 -0.048448 0.277267 -0.516682 0.381832 0.457729 4C 2dxy -0.596486 -0.130495 -0.242978 0.463432 -0.272348 0.449374 4C 1f0 0.098895 -0.084807 -0.110244 0.036900 -0.063654 -0.026403 4C 1f+1 0.065374 0.028443 -0.046170 0.028295 -0.017240 -0.091567 4C 1f-1 0.111881 -0.087392 -0.050013 -0.038330 0.080833 -0.188927 4C 1f+2 -0.113946 0.031303 0.032013 -0.069091 -0.010363 -0.017988 4C 1f-2 -0.037778 0.041839 0.047444 -0.014009 0.061684 -0.010984 4C 1f+3 -0.034453 0.015812 0.073385 -0.085795 0.079044 -0.081404 4C 1f-3 0.095188 0.097853 0.085843 0.029203 -0.038434 -0.031503 5C 1s 0.001693 -0.003001 0.001236 0.001837 -0.001248 0.005963 5C 2s 0.004746 -0.008595 0.001741 0.006473 -0.001973 0.016750 5C 3s 0.165080 0.043657 0.207880 -0.109476 -0.217736 -0.393397 5C 4s -0.916866 -0.202210 -0.971119 0.321967 1.028287 1.252293 5C 5s -0.229098 0.234221 -1.311135 -0.103176 -0.298194 1.094735 5C 1pz -0.018923 0.021966 0.015686 0.035252 -0.008621 0.003727 5C 1px 0.005971 0.002849 -0.040960 0.012743 -0.004883 -0.001884 5C 1py 0.060406 -0.013139 -0.010052 -0.020960 0.026475 -0.034945 5C 2pz 0.492084 -0.027882 -0.130046 -0.636487 -0.144869 -0.355327 5C 2px -0.236405 0.108162 -0.015621 0.800498 0.273497 0.236671 5C 2py -0.754645 -0.102090 0.126698 0.551952 0.148578 0.637180 5C 3pz 0.019556 -0.078407 0.199676 -0.478961 0.446745 -0.755967 5C 3px -0.501931 0.276978 -0.892305 0.370253 0.985482 -0.228666 5C 3py -0.467444 0.042793 -0.087234 0.153666 -0.711202 1.512749 5C 1dz2 0.026896 -0.014880 -0.003335 -0.005096 -0.049688 0.130185 5C 1dxz -0.101194 0.043023 -0.183582 -0.022781 0.170792 0.120405 5C 1dyz -0.085430 -0.007510 -0.066179 -0.031373 0.114981 -0.077499 5C 1dx2y2 -0.002490 -0.018844 0.003002 -0.046462 0.005341 -0.004088 5C 1dxy -0.118096 -0.026039 0.003223 0.048882 0.123708 0.095359 5C 2dz2 0.131487 -0.050735 0.160785 -0.306810 -0.166035 -0.383920 5C 2dxz -0.097071 -0.003495 0.235969 0.629735 -0.047893 -0.064975 5C 2dyz 0.175658 -0.008785 0.221443 0.274299 -0.225308 0.127975 5C 2dx2y2 0.036551 0.150571 0.005915 0.467147 0.145592 0.042221 5C 2dxy 0.628053 0.137494 -0.054277 -0.627952 -0.375937 -0.508064 5C 1f0 -0.028548 -0.017269 0.096456 0.042254 -0.116565 0.163378 5C 1f+1 -0.049110 -0.008172 -0.019031 -0.064274 -0.045586 0.035476 5C 1f-1 0.008112 0.019352 -0.015427 0.056889 0.030740 -0.027400 5C 1f+2 -0.107420 0.032360 -0.037903 -0.061381 0.021418 0.048982 5C 1f-2 0.008218 0.036921 -0.029726 -0.016626 -0.032103 0.032730 5C 1f+3 0.012240 -0.051660 -0.026578 -0.055284 0.025905 -0.074339 5C 1f-3 -0.123474 0.008348 -0.078314 -0.060551 0.079643 0.085484 6C 1s -0.001691 -0.003092 -0.000529 -0.002290 -0.001189 0.006242 6C 2s -0.004741 -0.008820 0.000399 -0.007855 -0.001774 0.017382 6C 3s -0.162288 0.035195 -0.217231 0.141083 -0.224274 -0.360562 6C 4s 0.902699 -0.152550 0.971152 -0.422104 1.063409 1.093107 6C 5s 0.218104 0.267763 1.284175 0.045014 -0.227591 0.950788 6C 1pz -0.018215 -0.022214 0.018147 0.037610 0.010906 -0.001348 6C 1px 0.005040 -0.003363 -0.040999 0.013682 0.005425 0.002371 6C 1py 0.059354 0.015473 -0.011108 -0.025585 -0.023525 0.037747 6C 2pz 0.485146 0.034525 -0.132252 -0.688383 0.163367 0.340544 6C 2px -0.236119 -0.105323 0.002612 0.813325 -0.264103 -0.185462 6C 2py -0.743138 0.083623 0.109834 0.628311 -0.208138 -0.677842 6C 3pz 0.009399 0.073795 0.219795 -0.560412 -0.467460 0.728860 6C 3px -0.480817 -0.311308 -0.874628 0.396138 -0.954681 0.267010 6C 3py -0.454609 -0.052337 -0.125689 0.276892 0.665528 -1.574729 6C 1dz2 -0.022498 -0.014709 0.003743 0.002818 -0.041653 0.128218 6C 1dxz 0.090464 0.047833 0.184590 0.010008 0.170033 0.122876 6C 1dyz 0.084131 -0.003480 0.059582 0.033746 0.114168 -0.093376 6C 1dx2y2 -0.000241 -0.018869 0.002157 0.045527 0.009317 0.013613 6C 1dxy 0.112917 -0.023698 -0.005812 -0.055551 0.128664 0.099401 6C 2dz2 -0.133423 -0.054238 -0.153924 0.323709 -0.183323 -0.364165 6C 2dxz 0.102877 -0.011208 -0.244055 -0.634637 -0.053936 -0.098175 6C 2dyz -0.170915 -0.023028 -0.206162 -0.271777 -0.217422 0.171205 6C 2dx2y2 -0.030159 0.139509 -0.028523 -0.461059 0.133205 -0.022536 6C 2dxy -0.621167 0.124764 0.061911 0.670712 -0.399692 -0.490088 6C 1f0 -0.028805 0.019500 0.094276 0.051853 0.112385 -0.165159 6C 1f+1 -0.047319 0.003787 -0.023222 -0.061036 0.040980 -0.047722 6C 1f-1 0.009186 -0.019327 -0.011211 0.057358 -0.022491 0.035720 6C 1f+2 -0.103901 -0.038211 -0.031592 -0.054633 -0.017076 -0.048590 6C 1f-2 0.007880 -0.036554 -0.027477 -0.013999 0.035021 -0.024938 6C 1f+3 0.013390 0.050275 -0.032891 -0.057274 -0.022130 0.070507 6C 1f-3 -0.121055 -0.015142 -0.074314 -0.054875 -0.084154 -0.083179 7C 1s -0.005729 0.001236 -0.000033 -0.003094 -0.003636 0.003284 7C 2s -0.016373 0.005747 -0.001058 -0.011387 -0.011294 0.007630 7C 3s -0.376582 -0.196197 0.140883 0.145294 0.083508 -0.251350 7C 4s 2.164431 0.800725 -0.630785 -0.590686 -0.139870 0.699810 7C 5s 1.546379 0.382896 -0.127895 0.684909 -0.500751 1.065455 7C 1pz -0.013972 -0.096858 0.041511 0.147547 0.101578 -0.002279 7C 1px 0.045188 -0.004941 0.031682 0.046838 0.034696 0.015470 7C 1py 0.011781 -0.041197 0.002248 0.106753 0.088076 0.027523 7C 2pz 0.118183 1.092264 -0.327831 -2.050173 -0.886518 0.185851 7C 2px -0.623507 -0.102411 -0.253959 0.692253 0.384356 -0.396373 7C 2py -0.205418 0.481665 -0.047760 -1.015420 -0.512613 -0.211561 7C 3pz -0.401608 1.144458 -0.393709 -0.513762 -1.275913 1.091905 7C 3px -0.229749 -1.028034 0.539487 1.078967 0.699782 0.731807 7C 3py -0.377416 0.139217 0.478275 0.137827 -0.757865 0.619909 7C 1dz2 0.008799 -0.073169 0.083669 -0.007353 -0.045950 0.030500 7C 1dxz -0.049064 -0.007291 0.021088 0.040183 -0.043484 -0.170608 7C 1dyz -0.179900 -0.048282 0.023249 0.006126 -0.098410 0.054894 7C 1dx2y2 -0.191114 -0.133515 0.144498 -0.051270 -0.039140 -0.157291 7C 1dxy -0.087642 0.196147 -0.124498 -0.043771 0.006763 -0.111041 7C 2dz2 -0.150703 0.414550 -0.446105 0.039564 0.044073 -0.227153 7C 2dxz 0.378347 0.429975 -0.061385 -0.987428 -0.336954 0.510722 7C 2dyz 0.542356 0.337774 -0.139499 -0.280155 0.007969 -0.139601 7C 2dx2y2 0.461965 -0.037263 -0.260302 0.482845 0.384763 0.512631 7C 2dxy 0.611972 -0.114256 0.283970 -0.501942 -0.250431 0.416844 7C 1f0 0.094563 0.083580 -0.107926 0.034350 0.069181 0.033270 7C 1f+1 0.066266 -0.025700 -0.042041 0.020848 0.018032 0.099545 7C 1f-1 0.111172 0.087952 -0.039006 -0.053014 -0.079011 0.184073 7C 1f+2 -0.113433 -0.033500 0.027615 -0.068228 -0.002068 0.019902 7C 1f-2 -0.036268 -0.040174 0.049821 -0.014531 -0.062205 0.009900 7C 1f+3 -0.034510 -0.015227 0.079933 -0.090894 -0.080646 0.076898 7C 1f-3 0.095456 -0.092164 0.094280 0.024019 0.042086 0.030619 8C 1s 0.003006 0.006887 -0.000689 -0.002122 -0.011834 0.011767 8C 2s 0.008828 0.020059 -0.002907 -0.004579 -0.034836 0.033714 8C 3s 0.133270 -0.036817 0.072899 -0.152237 0.162446 0.161931 8C 4s -1.070586 -0.208798 -0.238168 0.804316 0.001923 -1.592095 8C 5s -0.311653 -0.145036 -0.702633 0.479781 0.798318 -1.770947 8C 1pz -0.038893 0.007469 -0.035860 0.041328 -0.045853 -0.066686 8C 1px -0.000405 0.009773 -0.008583 -0.090481 0.005717 -0.021324 8C 1py 0.012420 0.000480 0.021433 -0.104038 0.035795 0.040091 8C 2pz 0.525627 -0.209168 0.175269 -0.248311 0.288738 0.604315 8C 2px 0.289584 -0.154500 0.098302 0.685286 0.186909 0.097601 8C 2py -0.504304 0.092324 -0.115059 0.648281 -0.577165 -0.192297 8C 3pz 0.132018 0.003322 0.014482 0.052376 -0.152160 0.491683 8C 3px 0.451379 0.104326 0.461989 0.003695 0.305368 0.375262 8C 3py 0.037067 -0.057782 -0.033641 0.204656 0.460544 -0.443740 8C 1dz2 -0.012161 -0.085623 0.064795 0.143357 0.007422 0.242224 8C 1dxz -0.119341 -0.004657 -0.073422 -0.103519 -0.109937 0.050567 8C 1dyz -0.009604 -0.010426 0.032302 -0.014802 0.076824 -0.122489 8C 1dx2y2 0.219798 -0.009321 0.202320 0.065228 0.260174 -0.009140 8C 1dxy -0.390034 -0.015251 -0.270112 -0.075945 -0.318527 -0.167443 8C 2dz2 -0.110473 0.114664 -0.080014 -0.203043 -0.014498 -0.356081 8C 2dxz 0.173496 -0.023235 0.036264 0.295675 0.100516 -0.022178 8C 2dyz 0.292163 -0.026423 0.004234 -0.112475 0.198478 0.291738 8C 2dx2y2 0.044327 -0.079357 -0.144564 -0.303672 -0.048618 0.074752 8C 2dxy 0.442805 -0.083155 0.247386 0.403254 0.318876 0.174996 8C 1f0 -0.047686 0.001521 0.016795 0.000200 -0.067088 0.017768 8C 1f+1 0.006120 -0.001450 0.009043 -0.037056 0.016664 0.024144 8C 1f-1 0.060670 0.039381 0.021582 -0.032677 0.006334 -0.032669 8C 1f+2 0.022975 0.006571 0.066867 -0.027752 0.059535 -0.029368 8C 1f-2 -0.070913 -0.033034 -0.114253 0.048506 -0.058467 -0.062789 8C 1f+3 0.082339 0.001546 0.000846 -0.006168 0.032765 0.010912 8C 1f-3 -0.046285 0.014897 0.075215 -0.013365 0.040760 -0.013978 9C 1s 0.001645 0.010611 -0.004270 -0.008408 -0.019597 0.010424 9C 2s 0.006480 0.029217 -0.011792 -0.020480 -0.054493 0.031337 9C 3s 0.048671 0.194391 -0.084694 -0.368701 -0.117469 0.014898 9C 4s -0.583550 -1.871991 0.795679 2.518742 1.952101 -0.695611 9C 5s -0.150410 -1.079899 -0.015987 -0.104778 1.231471 -1.448607 9C 1pz 0.015546 -0.048514 -0.030406 0.159481 0.086531 0.015143 9C 1px 0.023982 0.016653 0.000218 -0.080722 -0.031254 0.007254 9C 1py 0.008387 -0.065048 0.083609 0.046654 -0.005635 -0.055222 9C 2pz 0.426352 0.551220 0.087963 -1.372597 -0.452914 -0.212675 9C 2px 0.144110 -0.054640 -0.115860 0.623685 0.474702 -0.193058 9C 2py 0.312813 0.733499 -0.677504 -0.582109 0.120428 0.249073 9C 3pz -0.009849 0.059895 0.294686 -0.027826 -0.546743 0.385195 9C 3px 0.322748 0.472801 -0.255578 -0.096514 -0.186094 -0.050836 9C 3py 0.167906 0.497239 -0.449704 -0.079590 -0.149986 0.535344 9C 1dz2 -0.216640 -0.406677 0.473150 -0.060340 -0.247032 -0.084972 9C 1dxz 0.144971 0.250970 -0.200060 -0.080816 0.033523 -0.006655 9C 1dyz 0.130773 0.303352 -0.315569 -0.013017 0.049306 0.212460 9C 1dx2y2 0.206584 0.210449 -0.084483 0.044025 0.085609 -0.195695 9C 1dxy 0.127498 0.088884 0.140516 -0.091903 -0.093067 -0.254677 9C 2dz2 0.002048 0.221961 -0.520636 0.485425 0.346155 0.161952 9C 2dxz 0.024548 -0.268234 0.280836 0.052204 -0.070536 0.143318 9C 2dyz -0.434545 -0.497468 0.488988 0.187838 -0.226325 -0.310771 9C 2dx2y2 -0.242706 -0.035118 0.096757 -0.489891 -0.305069 0.066593 9C 2dxy -0.066492 0.068057 -0.301701 -0.029641 0.117384 0.379682 9C 1f0 0.007757 -0.079441 0.077039 -0.021329 -0.035673 0.003243 9C 1f+1 0.011035 0.135101 -0.024109 -0.149735 -0.085945 -0.090303 9C 1f-1 0.085176 -0.064408 0.036933 0.021769 0.058974 0.041168 9C 1f+2 -0.055275 -0.103790 0.095318 0.033936 0.038943 -0.078167 9C 1f-2 0.014989 0.159714 -0.068269 -0.117620 -0.083531 -0.062954 9C 1f+3 0.044601 0.064249 -0.058264 -0.033218 0.046657 -0.025086 9C 1f-3 0.039174 0.033081 -0.002981 -0.021471 0.015166 0.032111 10H 1s -0.010877 -0.080993 -0.007983 -0.143049 0.096136 0.033107 10H 2s -0.303151 0.372060 0.321232 -0.203399 -0.244519 0.341766 10H 3s -0.130763 0.154627 0.071468 -0.041900 0.053474 -0.050717 10H 1pz -0.047552 0.015023 0.091602 -0.159631 0.031313 0.100542 10H 1px 0.049974 -0.154370 -0.073315 -0.125234 0.240337 -0.157594 10H 1py 0.001526 -0.044362 -0.033831 -0.075454 -0.029235 -0.004056 11H 1s -0.010309 -0.005130 0.042421 -0.028215 0.077154 -0.038439 11H 2s 0.185239 0.558372 0.413500 0.478657 -0.648198 0.456685 11H 3s 0.031310 0.035086 0.045262 -0.042052 0.184631 0.024457 11H 1pz 0.043566 0.237795 0.165457 0.217134 -0.222854 0.141354 11H 1px 0.078115 0.084365 0.002132 0.150890 -0.239284 0.087347 11H 1py 0.029067 -0.058740 -0.039196 0.036247 0.120147 -0.117881 12H 1s -0.000600 -0.019859 -0.066330 0.033720 -0.014104 -0.075075 12H 2s 0.243722 0.094288 -0.282488 0.596573 -1.023360 0.138415 12H 3s 0.119047 -0.168707 -0.229542 -0.072801 0.029227 -0.102055 12H 1pz 0.034307 0.010509 -0.071382 0.136984 -0.038573 -0.112775 12H 1px 0.073320 0.051948 0.018158 0.129662 -0.171216 0.026264 12H 1py 0.046938 0.125337 -0.022363 0.224533 -0.384104 0.125533 13H 1s 0.018327 -0.017142 0.034203 -0.091992 -0.017850 -0.020690 13H 2s -0.230704 0.166136 -0.123180 -0.239506 -0.092436 0.341194 13H 3s -0.121002 0.002895 -0.206465 0.026342 0.191688 0.015784 13H 1pz 0.000482 0.066785 0.002822 -0.015530 -0.092684 0.112419 13H 1px 0.087214 -0.066411 0.014507 -0.040992 0.051112 -0.148699 13H 1py 0.009158 0.007916 -0.013394 0.152572 0.015296 -0.007491 14H 1s 0.033535 0.007831 -0.004793 0.081515 0.019126 -0.031588 14H 2s 0.247422 0.346955 0.010427 0.524463 -0.348677 0.235136 14H 3s 0.163858 -0.055566 0.085238 0.058644 -0.134936 -0.091495 14H 1pz 0.015637 0.084127 -0.012574 0.124523 -0.051462 0.098360 14H 1px 0.035028 0.121465 -0.017326 0.130800 -0.122256 0.127892 14H 1py -0.052652 -0.003346 0.052999 -0.171323 -0.074851 0.067695 15H 1s -0.034364 -0.020511 -0.006049 -0.052957 0.039747 -0.062764 15H 2s -0.119872 0.064446 -0.088718 0.036218 -0.389787 0.571785 15H 3s -0.030743 -0.008912 -0.030153 -0.006718 0.124790 -0.008662 15H 1pz -0.021273 -0.053679 -0.025113 -0.011286 0.155123 -0.125230 15H 1px 0.038963 0.006906 0.034338 0.062947 -0.064686 0.026112 15H 1py 0.102302 -0.030864 0.039306 -0.014693 0.118850 -0.233722 16H 1s 0.010584 0.013471 0.001374 -0.015540 0.014989 -0.022915 16H 2s 0.329609 -0.247342 -0.061547 -0.665774 0.375912 0.222851 16H 3s -0.062152 0.014294 -0.006069 0.142758 -0.013983 0.011396 16H 1pz 0.133488 -0.089198 -0.028813 -0.283752 0.154050 0.073016 16H 1px 0.003031 -0.001137 0.009148 -0.020914 0.018367 0.001278 16H 1py 0.019431 -0.015092 -0.010823 -0.055112 0.016949 0.014960 17H 1s -0.009065 0.016928 -0.000704 -0.013066 0.005454 -0.021876 17H 2s 0.371832 -0.235822 0.059479 -0.567211 0.422414 0.178658 17H 3s -0.092510 -0.000054 -0.031819 0.131930 -0.025484 0.029823 17H 1pz -0.110472 0.057596 -0.011943 0.193640 -0.135437 -0.041930 17H 1px -0.107050 0.062633 -0.020457 0.129908 -0.104724 -0.044346 17H 1py 0.048191 -0.034408 0.022388 -0.068025 0.051821 0.021521 18H 1s 0.008863 0.017590 -0.001644 0.014786 0.005405 -0.021709 18H 2s -0.370004 -0.235133 -0.042154 0.556505 0.417440 0.198852 18H 3s 0.093793 0.000785 0.031933 -0.133882 -0.025835 0.021498 18H 1pz -0.111973 -0.057188 -0.008275 0.193700 0.134967 0.049163 18H 1px -0.106075 -0.063305 -0.016526 0.126416 0.102523 0.049249 18H 1py 0.044558 0.032199 0.020045 -0.061476 -0.047289 -0.022756 19H 1s -0.011326 0.013975 -0.002576 0.015780 0.013707 -0.021677 19H 2s -0.325772 -0.244986 0.075048 0.659740 0.370370 0.249078 19H 3s 0.060402 0.013853 0.005464 -0.143859 -0.014902 0.003915 19H 1pz 0.131415 0.087079 -0.032964 -0.280980 -0.151024 -0.084371 19H 1px 0.002259 -0.000603 0.008725 -0.018637 -0.017150 -0.000788 19H 1py 0.022571 0.017272 -0.011851 -0.061170 -0.020880 -0.020477 20H 1s 0.034948 -0.018125 0.005063 0.058169 0.043163 -0.057392 20H 2s 0.119222 0.074620 0.103971 -0.075842 -0.371632 0.600740 20H 3s 0.029266 -0.008711 0.035000 0.006721 0.137812 0.008187 20H 1pz -0.021181 0.053056 -0.027997 -0.019317 -0.163416 0.121755 20H 1px 0.037059 -0.003843 0.030577 0.064389 0.062972 -0.024906 20H 1py 0.101199 0.036459 0.045202 -0.033910 -0.109825 0.242295 21H 1s -0.033959 0.004138 0.004960 -0.080085 0.015603 -0.039705 21H 2s -0.244320 0.328398 -0.018549 -0.551530 -0.385598 0.180110 21H 3s -0.156176 -0.064376 -0.079416 -0.050304 -0.129947 -0.103584 21H 1pz 0.017163 -0.082768 -0.009340 0.136311 0.063089 -0.086104 21H 1px 0.035029 -0.118239 -0.014865 0.143068 0.131509 -0.119114 21H 1py -0.052197 -0.001109 0.055853 -0.169598 0.072054 -0.077842 22H 1s -0.017849 -0.016647 -0.035015 0.095796 -0.018232 -0.015046 22H 2s 0.222208 0.185901 0.106324 0.205262 -0.121200 0.328820 22H 3s 0.114690 0.009565 0.204773 -0.034197 0.192251 0.007545 22H 1pz 0.001511 -0.067351 0.006652 -0.005642 0.102940 -0.102989 22H 1px 0.085340 0.070575 0.010082 -0.054734 -0.055602 0.147248 22H 1py 0.009295 -0.002877 -0.015483 0.153547 -0.020587 0.014906 23H 1s 0.001460 -0.021045 0.065819 -0.024612 -0.009732 -0.082882 23H 2s -0.232875 0.102887 0.301453 -0.618856 -1.014844 0.059256 23H 3s -0.116625 -0.162373 0.227211 0.078103 0.038976 -0.103329 23H 1pz 0.032291 -0.009138 -0.064427 0.127949 0.038490 0.124190 23H 1px 0.070889 -0.049916 0.018591 0.130540 0.171596 -0.016052 23H 1py 0.046098 -0.128171 -0.030673 0.242294 0.387594 -0.096122 24H 1s 0.010154 -0.004771 -0.047091 0.030668 0.075785 -0.029086 24H 2s -0.187767 0.555131 -0.414788 -0.529618 -0.684116 0.445589 24H 3s -0.033922 0.031958 -0.055922 0.044519 0.169876 0.043247 24H 1pz 0.044366 -0.235335 0.166034 0.234973 0.231244 -0.136498 24H 1px 0.077352 -0.087500 -0.000203 0.162417 0.245955 -0.075505 24H 1py 0.029305 0.057250 -0.030587 0.029558 -0.112818 0.111574 25H 1s 0.010512 -0.080406 0.010749 0.142559 0.096262 0.041591 25H 2s 0.292549 0.378614 -0.300762 0.160778 -0.217134 0.332554 25H 3s 0.127312 0.151364 -0.077309 0.045693 0.066431 -0.042075 25H 1pz -0.044915 -0.018836 0.088025 -0.147686 -0.030962 -0.107668 25H 1px 0.048501 0.154829 -0.061936 -0.143107 -0.237662 0.140017 25H 1py 0.001478 0.044966 -0.038833 -0.078589 0.017314 0.009614 26O 1s 0.005461 -0.001229 -0.000789 0.012755 -0.007790 -0.022239 26O 2s 0.019753 -0.006322 -0.002383 0.042347 -0.027446 -0.077050 26O 3s -0.228058 0.051595 0.001384 -0.287101 0.205658 0.626448 26O 4s 0.888316 0.015544 0.157672 0.455859 -0.370603 -1.608845 26O 5s 1.252115 -0.106547 -0.454313 -0.956089 0.391777 0.661241 26O 1pz -0.127048 0.190645 0.148416 0.048562 -0.026936 0.046535 26O 1px 0.192668 -0.003561 -0.022180 -0.079994 0.108915 0.002122 26O 1py -0.003018 0.120033 -0.026378 0.082108 -0.081277 -0.050382 26O 2pz 0.214630 -0.430969 -0.310720 -0.164854 0.069690 -0.071508 26O 2px -0.780911 -0.054128 -0.017358 0.193292 -0.160331 0.308667 26O 2py -0.188144 -0.222815 0.070981 -0.179640 0.206590 0.246959 26O 3pz 0.107715 0.489584 0.236272 0.284583 -0.509785 0.145962 26O 3px -0.444043 0.137474 -0.002190 0.319044 -0.314960 -0.077682 26O 3py -0.135721 0.457892 -0.024731 0.346160 -0.557469 -0.033524 26O 1dz2 -0.004358 0.000754 -0.000606 0.001657 -0.003023 0.000999 26O 1dxz -0.003649 0.002155 -0.000957 0.001705 -0.001423 -0.001614 26O 1dyz -0.002261 0.010575 0.002358 0.003598 -0.002226 0.003357 26O 1dx2y2 0.004637 0.005022 0.004811 -0.002457 0.006485 -0.000761 26O 1dxy 0.006200 0.002480 -0.005393 0.003204 -0.000457 -0.005919 26O 2dz2 -0.074984 0.046645 0.021057 0.047565 -0.042716 -0.007992 26O 2dxz -0.152941 0.086757 0.065276 -0.038131 0.028042 -0.041704 26O 2dyz -0.084109 0.087943 0.031900 0.013846 -0.030615 0.033860 26O 2dx2y2 0.143705 -0.040646 -0.003746 -0.052578 0.041640 0.059726 26O 2dxy -0.002202 -0.001518 -0.018911 -0.031211 0.020835 -0.009201 26O 1f0 -0.002936 0.008255 0.006085 0.012554 0.001150 0.008219 26O 1f+1 0.003191 0.006669 0.007789 0.000110 -0.005854 -0.005238 26O 1f-1 -0.000561 0.000828 0.005359 0.000304 0.001134 -0.012523 26O 1f+2 0.018505 -0.017895 -0.010690 -0.011768 -0.003249 -0.009587 26O 1f-2 -0.013502 0.004399 0.004577 -0.007609 -0.004409 -0.001422 26O 1f+3 -0.006301 0.027950 0.024179 -0.004653 0.005396 -0.003663 26O 1f-3 0.022201 -0.007807 -0.009304 0.005265 -0.006871 -0.020142 27O 1s 0.007990 -0.001864 -0.004543 0.004992 0.007875 -0.018575 27O 2s 0.028991 -0.007184 -0.015754 0.015052 0.025955 -0.064562 27O 3s -0.244447 0.072849 0.113491 -0.040383 -0.150094 0.509198 27O 4s 0.569762 -0.208751 -0.259550 -0.345096 0.097938 -1.180621 27O 5s 0.280811 -0.055561 1.220090 -0.813816 -1.266221 0.505507 27O 1pz -0.064996 0.076618 -0.113508 0.164485 0.093593 0.010434 27O 1px 0.049885 0.004179 0.078182 -0.043641 -0.080366 0.015743 27O 1py 0.144656 0.000101 0.092844 0.030175 -0.055150 -0.077064 27O 2pz 0.126862 -0.165389 0.207358 -0.365134 -0.188880 0.004303 27O 2px -0.257492 0.044890 -0.187341 0.359595 0.372462 0.172966 27O 2py -0.288464 -0.039018 -0.174269 -0.093148 0.071465 0.151579 27O 3pz 0.038802 0.159878 -0.210154 0.173428 -0.017158 0.284889 27O 3px -0.090779 0.118559 -0.366796 0.532350 0.040768 0.205011 27O 3py 0.136170 -0.160600 0.330846 -0.142216 0.137690 -0.347949 27O 1dz2 0.002327 0.005015 -0.005832 0.000542 0.001814 0.001578 27O 1dxz 0.003867 -0.001496 0.003951 0.005294 -0.004010 -0.000909 27O 1dyz 0.002810 -0.003825 0.002581 -0.002875 -0.003936 -0.005730 27O 1dx2y2 0.001083 0.002394 0.004226 -0.002087 0.000214 -0.002608 27O 1dxy 0.002266 -0.003749 -0.002214 -0.002287 -0.002420 0.000077 27O 2dz2 0.028214 0.025752 -0.044588 0.036055 0.026713 -0.000947 27O 2dxz -0.052002 0.031111 -0.080070 0.074499 0.116077 -0.066687 27O 2dyz 0.021181 -0.035476 0.018665 -0.059311 -0.022700 -0.041242 27O 2dx2y2 0.077643 0.001867 0.078680 -0.047548 -0.065444 -0.005495 27O 2dxy 0.087324 0.024408 0.035694 0.043451 -0.050569 -0.028268 27O 1f0 0.007498 -0.005418 0.024701 0.004258 -0.020458 -0.001975 27O 1f+1 0.011101 -0.003254 0.002176 0.001153 -0.005797 -0.012971 27O 1f-1 0.003004 0.004379 -0.001300 0.001656 -0.003456 0.001400 27O 1f+2 0.000522 0.004910 -0.009064 -0.002793 0.006381 0.008344 27O 1f-2 0.020699 -0.004320 0.013956 -0.005300 -0.014130 -0.012225 27O 1f+3 0.000185 -0.000035 -0.004218 -0.014208 -0.011736 -0.012506 27O 1f-3 0.013038 0.001303 -0.002400 -0.002963 -0.005192 -0.007011 28O 1s -0.006643 -0.003030 -0.000509 -0.015940 0.021017 -0.019105 28O 2s -0.025588 -0.006694 -0.000697 -0.051657 0.072277 -0.067826 28O 3s 0.188938 -0.001312 0.019799 0.265852 -0.494222 0.496482 28O 4s -0.436869 0.143641 -0.173857 0.101307 0.730823 -0.744911 28O 5s 0.999082 1.052740 0.143533 2.490696 -2.155394 1.173023 28O 1pz 0.059649 -0.206659 -0.075776 -0.112915 0.006426 0.150533 28O 1px -0.085565 -0.043349 0.005487 -0.241741 0.112758 -0.145171 28O 1py 0.015349 -0.173339 -0.052749 -0.243664 0.107647 0.033489 28O 2pz -0.184406 0.282409 0.198328 -0.111101 0.166024 -0.339653 28O 2px 0.158778 0.224265 -0.075304 0.847473 -0.391367 0.371083 28O 2py -0.057291 0.308886 0.118699 0.421723 -0.182427 -0.044331 28O 3pz -0.189591 -0.780667 -0.084720 -0.983587 0.291752 0.786796 28O 3px 0.098168 0.243717 -0.063678 0.615342 -0.215201 -0.009225 28O 3py 0.005435 -0.509576 -0.281518 -0.439946 0.000192 0.455519 28O 1dz2 0.001157 -0.001762 0.001040 -0.001161 -0.005596 0.000757 28O 1dxz -0.007477 0.007226 0.003186 -0.000751 -0.001518 -0.006842 28O 1dyz 0.006996 -0.006566 -0.000093 -0.003402 -0.006032 0.009024 28O 1dx2y2 0.009407 -0.006874 -0.004936 0.007006 -0.000682 0.003584 28O 1dxy 0.006876 -0.006887 -0.007652 0.002392 -0.003706 0.002265 28O 2dz2 0.048019 -0.035466 -0.014725 -0.023783 -0.092627 -0.032804 28O 2dxz -0.050119 -0.094018 -0.020340 -0.166037 0.104776 -0.012571 28O 2dyz 0.090512 -0.090631 -0.025034 -0.089965 -0.030433 0.026733 28O 2dx2y2 0.059825 0.053305 -0.023679 0.177123 -0.066225 0.011112 28O 2dxy 0.036914 0.008405 -0.002579 0.036363 -0.019843 0.059703 28O 1f0 -0.006042 0.010020 0.001060 0.005222 -0.007498 0.008455 28O 1f+1 0.021942 -0.002092 -0.005417 0.010859 -0.003183 -0.005541 28O 1f-1 0.001420 -0.012833 -0.010472 -0.010955 0.003335 0.007603 28O 1f+2 -0.006240 0.003295 0.012709 -0.010104 0.008733 -0.000413 28O 1f-2 0.001777 0.015593 0.002457 0.018239 0.003900 -0.014327 28O 1f+3 0.007631 -0.002568 -0.003020 0.000462 0.000656 -0.007533 28O 1f-3 0.006126 0.006605 0.001567 0.001054 0.001130 -0.001700 29O 1s 0.012406 -0.010755 0.002778 -0.030975 0.017622 0.008513 29O 2s 0.041197 -0.035791 0.009612 -0.103532 0.058946 0.027496 29O 3s -0.244249 0.218328 -0.068747 0.648785 -0.369578 -0.153880 29O 4s 0.382101 -0.292287 0.109264 -1.018002 0.611505 0.099614 29O 5s -1.001771 0.552284 -0.076795 2.075287 -1.361400 -0.048684 29O 1pz -0.019725 0.024694 -0.006089 0.082411 -0.037377 -0.031673 29O 1px 0.052869 -0.060811 0.027122 -0.193158 0.091632 0.090647 29O 1py -0.074303 0.012000 -0.004851 0.110906 -0.054323 0.022840 29O 2pz 0.066293 -0.067203 -0.032305 -0.270165 0.105217 0.074834 29O 2px -0.214932 0.171195 -0.065870 0.522570 -0.288305 -0.194176 29O 2py 0.247972 -0.095423 0.015156 -0.403497 0.224098 0.012086 29O 3pz -0.038508 -0.037937 -0.019239 0.169584 -0.082180 0.106394 29O 3px 0.270433 -0.113648 0.055704 -0.581417 0.319943 -0.053324 29O 3py 0.124216 -0.120266 -0.032453 -0.206972 0.227249 0.146642 29O 1dz2 0.003874 -0.001616 -0.000753 -0.005933 0.002404 0.000867 29O 1dxz 0.004377 0.000505 -0.000380 -0.007197 0.003396 -0.003246 29O 1dyz -0.001088 0.001105 -0.003158 -0.001972 -0.000432 -0.000097 29O 1dx2y2 -0.006733 0.003263 -0.001343 0.007304 -0.003964 -0.000247 29O 1dxy -0.004392 0.000900 0.000464 0.000619 -0.002691 -0.002852 29O 2dz2 -0.028173 0.022938 0.010706 0.070552 -0.034306 -0.023880 29O 2dxz -0.015069 0.031952 -0.017347 0.012264 -0.021788 -0.038842 29O 2dyz -0.016998 0.017192 0.012670 0.055734 -0.018712 -0.015709 29O 2dx2y2 -0.011817 -0.001523 -0.010778 0.001278 0.000019 0.022149 29O 2dxy 0.054895 -0.036136 0.015099 -0.133619 0.081498 0.018416 29O 1f0 0.004559 -0.005917 0.000923 -0.007639 0.006436 0.005611 29O 1f+1 -0.002514 0.001414 0.001169 0.005497 -0.003978 -0.000873 29O 1f-1 0.003301 -0.005171 -0.000576 -0.006457 0.002697 0.005723 29O 1f+2 0.000406 0.002599 -0.000438 0.001061 -0.001982 -0.002585 29O 1f-2 0.005959 -0.004699 -0.000101 -0.005514 0.004207 0.005298 29O 1f+3 0.005134 -0.001705 -0.000217 -0.005013 0.001905 0.002024 29O 1f-3 -0.001533 0.002745 -0.001337 0.002368 -0.001421 -0.000913 30O 1s 0.001227 -0.004806 0.005304 -0.015006 0.000463 -0.021236 30O 2s 0.001595 -0.016999 0.016781 -0.049831 0.004799 -0.073237 30O 3s 0.021217 0.144198 -0.141407 0.289934 -0.060455 0.520570 30O 4s -0.221452 -0.382464 0.450501 -0.079198 0.215048 -0.812092 30O 5s -0.507305 0.326047 -0.016694 1.498890 -0.392493 1.396312 30O 1pz 0.062204 -0.081382 0.091518 -0.034971 -0.094116 0.038115 30O 1px 0.077978 -0.012568 0.029142 -0.210860 -0.051394 -0.139970 30O 1py -0.091125 -0.018471 -0.071474 0.014604 0.070985 -0.043212 30O 2pz -0.057582 0.199887 -0.251612 -0.061118 0.193796 -0.116182 30O 2px -0.252926 -0.018949 0.042378 0.650231 0.107360 0.353008 30O 2py 0.125980 0.001989 0.225351 0.122610 -0.188876 0.120523 30O 3pz 0.358225 -0.179558 0.082211 -0.293170 -0.423534 0.111978 30O 3px -0.111153 0.097555 0.270335 0.420960 -0.126537 0.099406 30O 3py -0.130872 0.145826 -0.113208 0.459436 0.359731 -0.382775 30O 1dz2 -0.005121 -0.000644 -0.005087 -0.007501 0.005447 -0.001735 30O 1dxz 0.002812 -0.002478 -0.003495 -0.002584 -0.002347 0.000841 30O 1dyz -0.007091 0.001310 -0.006570 0.003562 0.013915 -0.004126 30O 1dx2y2 0.005167 -0.003390 0.004928 0.007267 0.000791 0.001898 30O 1dxy 0.001861 -0.003547 0.003972 0.000869 -0.000781 0.000887 30O 2dz2 0.007697 -0.038563 0.001400 -0.113974 0.004618 -0.034829 30O 2dxz 0.051651 0.001287 -0.019214 -0.060810 -0.019264 -0.025455 30O 2dyz -0.081912 -0.004594 -0.034172 0.037728 0.109093 -0.010460 30O 2dx2y2 -0.069760 -0.021846 0.012990 0.085184 0.064677 0.068157 30O 2dxy -0.035448 0.017848 -0.053080 0.121024 0.062372 0.027387 30O 1f0 -0.003144 -0.003373 -0.000623 0.000890 0.000278 -0.001408 30O 1f+1 -0.007799 0.005258 -0.004568 -0.001076 0.012642 -0.004015 30O 1f-1 -0.014976 -0.000010 -0.008734 0.003295 0.016561 0.002553 30O 1f+2 -0.002550 -0.003971 -0.001481 -0.006606 -0.004122 -0.000776 30O 1f-2 0.000521 0.001084 -0.010095 -0.010680 0.000126 0.008114 30O 1f+3 0.013944 -0.005200 0.016715 -0.009426 -0.018013 -0.005857 30O 1f-3 -0.005740 0.001666 -0.012316 -0.001095 0.017828 -0.011433 31O 1s -0.001432 -0.004732 -0.005430 0.016755 0.000044 -0.020475 31O 2s -0.002408 -0.016661 -0.017239 0.055763 0.003322 -0.070845 31O 3s -0.014401 0.141887 0.143498 -0.331011 -0.050567 0.503949 31O 4s 0.207328 -0.379845 -0.451282 0.142923 0.205640 -0.787303 31O 5s 0.514356 0.319789 0.036590 -1.652567 -0.365164 1.441746 31O 1pz 0.055919 0.082360 0.088553 -0.038506 0.092519 -0.041407 31O 1px 0.076790 0.012453 0.034250 -0.225772 0.059559 0.146440 31O 1py -0.088053 0.013972 -0.072003 0.017545 -0.070755 0.043942 31O 2pz -0.046875 -0.202607 -0.243362 -0.060095 -0.188071 0.127155 31O 2px -0.249554 0.019943 0.030648 0.687767 -0.125953 -0.366915 31O 2py 0.120325 0.007677 0.223464 0.121216 0.182991 -0.129081 31O 3pz 0.342312 0.182152 0.085880 -0.312483 0.421690 -0.095906 31O 3px -0.113530 -0.087083 0.272549 0.432498 0.119949 -0.107179 31O 3py -0.121289 -0.146147 -0.115641 0.463826 -0.329561 0.398487 31O 1dz2 0.004861 -0.000138 0.004773 0.007503 0.005186 -0.001759 31O 1dxz -0.002711 -0.002384 0.003508 0.002718 -0.002655 0.000226 31O 1dyz 0.006632 0.001505 0.006396 -0.003682 0.014074 -0.004964 31O 1dx2y2 -0.004937 -0.003839 -0.004427 -0.007214 0.001321 0.002256 31O 1dxy -0.001658 -0.003666 -0.003822 -0.000880 -0.000891 0.001278 31O 2dz2 -0.006298 -0.036541 -0.001885 0.118189 0.004246 -0.034006 31O 2dxz -0.051634 0.001724 0.016283 0.066364 -0.022539 -0.025954 31O 2dyz 0.078518 -0.001674 0.032674 -0.039219 0.110717 -0.015414 31O 2dx2y2 0.068205 -0.021110 -0.008974 -0.092486 0.070846 0.075647 31O 2dxy 0.033850 0.018555 0.054488 -0.126891 0.061024 0.023605 31O 1f0 -0.003202 0.003030 -0.000663 0.000878 -0.000098 0.000626 31O 1f+1 -0.006779 -0.005369 -0.004082 -0.000568 -0.011950 0.003640 31O 1f-1 -0.014010 -0.000431 -0.008782 0.004125 -0.016634 -0.003004 31O 1f+2 -0.002629 0.003675 -0.001868 -0.006635 0.003688 -0.000145 31O 1f-2 0.000339 -0.001485 -0.009945 -0.010514 0.000137 -0.007669 31O 1f+3 0.013284 0.005817 0.016118 -0.010195 0.017211 0.003821 31O 1f-3 -0.005330 -0.002084 -0.012088 -0.001401 -0.017568 0.011400 32O 1s -0.012279 -0.010529 -0.002214 0.030601 0.017468 0.009834 32O 2s -0.040770 -0.035034 -0.007771 0.102323 0.058449 0.031921 32O 3s 0.241629 0.213351 0.058277 -0.641983 -0.366942 -0.181842 32O 4s -0.378785 -0.284376 -0.099861 1.014072 0.607650 0.142982 32O 5s 0.996051 0.540713 0.060547 -2.076768 -1.347364 -0.130862 32O 1pz -0.017512 -0.023164 -0.003634 0.077267 0.035179 0.035203 32O 1px 0.053146 0.058563 0.022348 -0.189941 -0.091171 -0.099377 32O 1py -0.074157 -0.012045 -0.005423 0.112921 0.053775 -0.018195 32O 2pz 0.058336 0.061643 -0.036782 -0.256826 -0.097854 -0.085824 32O 2px -0.215877 -0.167495 -0.053653 0.517269 0.286511 0.217302 32O 2py 0.246333 0.094794 0.010997 -0.406254 -0.220781 -0.029554 32O 3pz -0.039837 0.037913 -0.021054 0.175748 0.089349 -0.094467 32O 3px 0.268403 0.109703 0.056641 -0.584772 -0.314644 0.026956 32O 3py 0.126356 0.119433 -0.044653 -0.200105 -0.226643 -0.147643 32O 1dz2 -0.003900 -0.001609 0.000770 0.005999 0.002274 0.001136 32O 1dxz -0.004388 0.000555 0.000299 0.007384 0.003513 -0.002826 32O 1dyz 0.001027 0.001131 0.003174 0.002135 -0.000267 -0.000071 32O 1dx2y2 0.006622 0.003318 0.001276 -0.007313 -0.003829 -0.000639 32O 1dxy 0.004511 0.000974 -0.000663 -0.000389 -0.002625 -0.002573 32O 2dz2 0.027558 0.022630 -0.010654 -0.067301 -0.033686 -0.027583 32O 2dxz 0.015825 0.032849 0.015752 -0.012002 -0.022138 -0.038757 32O 2dyz 0.017580 0.017323 -0.013091 -0.058146 -0.018220 -0.019685 32O 2dx2y2 0.012214 -0.001112 0.012577 -0.002775 -0.000755 0.021762 32O 2dxy -0.053506 -0.034524 -0.013018 0.132776 0.079373 0.024643 32O 1f0 0.004224 0.005655 0.000613 -0.006906 -0.006189 -0.005538 32O 1f+1 -0.002807 -0.001673 0.001225 0.005818 0.004295 0.001400 32O 1f-1 0.003475 0.005440 -0.000937 -0.006713 -0.003110 -0.006143 32O 1f+2 0.000206 -0.002920 -0.000328 0.001271 0.002051 0.002934 32O 1f-2 0.005700 0.004531 -0.000561 -0.004691 -0.003830 -0.005205 32O 1f+3 0.005316 0.001951 -0.000283 -0.005033 -0.001937 -0.002293 32O 1f-3 -0.001255 -0.002688 -0.001178 0.002094 0.001204 0.001129 33O 1s 0.006288 -0.002914 -0.000480 0.017401 0.021664 -0.018139 33O 2s 0.024320 -0.006297 -0.002824 0.056748 0.074660 -0.064671 33O 3s -0.179662 -0.002827 0.006771 -0.302439 -0.508631 0.479525 33O 4s 0.422068 0.140161 0.134880 -0.048011 0.736878 -0.745822 33O 5s -0.985518 1.000874 -0.108643 -2.583120 -2.284014 1.005585 33O 1pz 0.054926 0.207922 -0.087163 -0.112342 -0.003012 -0.156626 33O 1px -0.084950 0.037331 0.009730 -0.254627 -0.129944 0.133921 33O 1py 0.014467 0.168082 -0.056884 -0.240924 -0.113842 -0.047195 33O 2pz -0.173805 -0.290483 0.220258 -0.115383 -0.189037 0.332623 33O 2px 0.158319 -0.207601 -0.086976 0.880887 0.439958 -0.326579 33O 2py -0.057170 -0.300444 0.126567 0.417341 0.190655 0.069189 33O 3pz -0.190343 0.770598 -0.148619 -0.952856 -0.297651 -0.871793 33O 3px 0.096981 -0.231915 -0.060749 0.615286 0.247376 0.049113 33O 3py -0.002309 0.502372 -0.318050 -0.417503 -0.011054 -0.473727 33O 1dz2 -0.000971 -0.001720 -0.000758 0.001219 -0.005293 0.000431 33O 1dxz 0.007455 0.007368 -0.003534 0.001075 -0.000640 -0.006401 33O 1dyz -0.006953 -0.006557 0.000527 0.002846 -0.006571 0.009136 33O 1dx2y2 -0.009168 -0.007258 0.005034 -0.006909 -0.001739 0.003415 33O 1dxy -0.006702 -0.006710 0.007789 -0.002533 -0.004060 0.001995 33O 2dz2 -0.044499 -0.034136 0.014927 0.029471 -0.085591 -0.034025 33O 2dxz 0.049340 -0.091450 0.024521 0.167706 0.111918 -0.001242 33O 2dyz -0.090386 -0.086959 0.027708 0.086918 -0.033298 0.032287 33O 2dx2y2 -0.059470 0.048586 0.023558 -0.178531 -0.074377 0.000376 33O 2dxy -0.036231 0.004286 0.003880 -0.036926 -0.026172 0.055176 33O 1f0 -0.005507 -0.009618 0.000471 0.005568 0.006986 -0.008508 33O 1f+1 0.021571 0.002057 -0.004711 0.010576 0.004813 0.006676 33O 1f-1 0.001125 0.011798 -0.010636 -0.010206 -0.003438 -0.008321 33O 1f+2 -0.006026 -0.003062 0.012877 -0.010328 -0.009226 -0.000492 33O 1f-2 0.002366 -0.014451 0.003465 0.016789 -0.002793 0.014799 33O 1f+3 0.007590 0.002777 -0.002941 -0.000379 -0.000946 0.007857 33O 1f-3 0.006496 -0.005819 0.001722 0.000448 -0.000244 0.001805 34O 1s -0.007624 -0.001829 0.004344 -0.004026 0.007002 -0.019177 34O 2s -0.027652 -0.007036 0.015134 -0.011614 0.022933 -0.066636 34O 3s 0.234171 0.071194 -0.112697 0.012825 -0.127609 0.518677 34O 4s -0.551927 -0.200449 0.275989 0.407343 0.051941 -1.165241 34O 5s -0.292838 -0.095122 -1.176458 0.796457 -1.209302 0.669379 34O 1pz -0.060164 -0.077244 -0.107839 0.171030 -0.081699 0.010230 34O 1px 0.052945 0.001152 0.069647 -0.041832 0.075739 -0.030480 34O 1py 0.141573 0.007310 0.090506 0.022589 0.053000 0.076274 34O 2pz 0.118008 0.166013 0.193297 -0.377122 0.165287 -0.047888 34O 2px -0.262666 -0.055630 -0.156509 0.366576 -0.365659 -0.114251 34O 2py -0.281483 0.023735 -0.174386 -0.076829 -0.071247 -0.160390 34O 3pz 0.051844 -0.155622 -0.215226 0.205593 0.026982 -0.267726 34O 3px -0.081215 -0.118436 -0.375940 0.549601 -0.045014 -0.141021 34O 3py 0.127168 0.166781 0.335359 -0.174516 -0.122634 0.346207 34O 1dz2 -0.002401 0.005063 0.005658 -0.000577 0.001871 0.001228 34O 1dxz -0.003632 -0.001815 -0.004045 -0.005077 -0.004141 -0.001769 34O 1dyz -0.002417 -0.003866 -0.002436 0.003573 -0.003907 -0.005824 34O 1dx2y2 -0.001278 0.002234 -0.003940 0.002155 0.000134 -0.001722 34O 1dxy -0.001949 -0.003629 0.002552 0.002470 -0.002214 -0.000180 34O 2dz2 -0.028185 0.024941 0.044063 -0.035905 0.025386 -0.005528 34O 2dxz 0.049021 0.033550 0.072156 -0.073075 0.107538 -0.081704 34O 2dyz -0.018564 -0.035475 -0.016051 0.063877 -0.020664 -0.040173 34O 2dx2y2 -0.077223 -0.002261 -0.073445 0.049074 -0.063041 0.006652 34O 2dxy -0.085093 0.019364 -0.032988 -0.040562 -0.047964 -0.024273 34O 1f0 0.006532 0.006075 0.024744 0.003490 0.019949 0.002040 34O 1f+1 0.010867 0.003626 0.001755 0.000373 0.006445 0.012481 34O 1f-1 0.002858 -0.004351 -0.001109 0.001675 0.003646 -0.000698 34O 1f+2 0.001349 -0.004827 -0.009279 -0.002066 -0.006110 -0.008929 34O 1f-2 0.019783 0.005085 0.013642 -0.006664 0.013700 0.012013 34O 1f+3 -0.000303 -0.000530 -0.004268 -0.014917 0.012282 0.013059 34O 1f-3 0.012297 -0.000997 -0.002108 -0.003751 0.006302 0.009388 35O 1s -0.004964 -0.001233 -0.000403 -0.010969 -0.007701 -0.023390 35O 2s -0.017962 -0.006273 -0.001712 -0.036171 -0.027087 -0.080904 35O 3s 0.214243 0.052625 0.033563 0.236668 0.204829 0.653634 35O 4s -0.862057 0.004601 -0.257743 -0.329054 -0.378341 -1.659158 35O 5s -1.279849 -0.146757 0.471585 0.947012 0.312872 0.714958 35O 1pz -0.122542 -0.191866 0.149824 0.058719 0.018639 -0.045387 35O 1px 0.196083 0.006935 -0.014820 -0.080117 -0.093191 -0.009343 35O 1py -0.001560 -0.116369 -0.024257 0.076345 0.076282 0.062737 35O 2pz 0.204633 0.429913 -0.315402 -0.182647 -0.058803 0.067735 35O 2px -0.786688 0.037967 -0.056645 0.221442 0.118605 -0.294337 35O 2py -0.188373 0.212430 0.056838 -0.155849 -0.201761 -0.275723 35O 3pz 0.111816 -0.484209 0.241741 0.310087 0.517459 -0.144717 35O 3px -0.451665 -0.151303 0.008693 0.325062 0.303157 0.073240 35O 3py -0.131654 -0.455505 -0.024271 0.351738 0.544801 0.055078 35O 1dz2 0.004287 0.000938 0.000962 -0.002115 -0.002384 0.001134 35O 1dxz 0.003630 0.002197 0.000863 -0.001515 -0.001345 -0.001640 35O 1dyz 0.002081 0.010346 -0.002262 -0.003736 -0.002492 0.003089 35O 1dx2y2 -0.004968 0.004608 -0.005292 0.002497 0.005605 -0.000648 35O 1dxy -0.006317 0.002313 0.005144 -0.002711 -0.000315 -0.006561 35O 2dz2 0.074242 0.046959 -0.018982 -0.049995 -0.036933 -0.009420 35O 2dxz 0.150182 0.088677 -0.065619 0.039183 0.042028 -0.038301 35O 2dyz 0.082343 0.086753 -0.028581 -0.016009 -0.027281 0.031568 35O 2dx2y2 -0.145789 -0.043039 0.004161 0.047866 0.031906 0.066064 35O 2dxy 0.001673 -0.003317 0.019124 0.034212 0.023221 -0.010174 35O 1f0 -0.002775 -0.007336 0.005899 0.012580 0.000584 -0.007902 35O 1f+1 0.003204 -0.006404 0.008208 -0.000247 0.005092 0.005311 35O 1f-1 -0.000739 -0.000816 0.005977 -0.000136 -0.002388 0.012667 35O 1f+2 0.017956 0.016992 -0.010416 -0.012043 0.002154 0.009235 35O 1f-2 -0.013573 -0.004858 0.004555 -0.007471 0.002393 0.001658 35O 1f+3 -0.005294 -0.026971 0.025422 -0.005602 -0.004553 0.002795 35O 1f-3 0.021624 0.007841 -0.008210 0.003734 0.007092 0.021011 504 505 506 507 508 509 3.14173 3.14496 3.14903 3.16813 3.18772 3.20002 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s -0.000067 -0.000149 -0.000535 -0.001165 0.000202 -0.002077 0Rh 2s 0.000494 0.001354 0.002445 0.015630 -0.005088 0.013951 0Rh 3s -0.000101 -0.000062 -0.001691 0.002563 -0.001890 -0.003877 0Rh 4s -0.002789 -0.007203 -0.013043 -0.082570 0.026578 -0.074517 0Rh 5s 0.007654 0.015273 0.018700 0.186748 -0.062324 0.140514 0Rh 6s -0.016152 -0.013132 0.021299 -0.197691 0.067622 -0.044845 0Rh 7s -0.048054 0.016956 -0.245083 0.435995 0.014110 -0.406151 0Rh 8s -0.141519 0.047831 0.079300 -0.172509 -0.010592 0.167674 0Rh 1pz -0.003115 0.002153 -0.001291 0.001167 -0.007109 0.003847 0Rh 1px 0.001947 0.000944 -0.002319 0.004228 -0.005511 -0.005203 0Rh 1py -0.002037 -0.002715 -0.004518 0.003027 0.003140 0.005500 0Rh 2pz 0.012020 -0.007818 0.004908 -0.004406 0.027268 -0.014637 0Rh 2px -0.007070 -0.003527 0.008660 -0.015597 0.021026 0.019682 0Rh 2py 0.007253 0.010722 0.016906 -0.011570 -0.011953 -0.021291 0Rh 3pz -0.027052 0.007351 -0.009639 0.007842 -0.060192 0.029681 0Rh 3px 0.006363 0.005570 -0.013211 0.019537 -0.042952 -0.035034 0Rh 3py -0.003578 -0.029467 -0.027011 0.024788 0.024559 0.051035 0Rh 4pz 0.020773 0.032239 0.003156 0.001556 0.054449 -0.016514 0Rh 4px 0.032529 0.004094 -0.014751 0.045910 0.020332 -0.013695 0Rh 4py -0.044652 0.043433 -0.019311 -0.020048 -0.016171 -0.059811 0Rh 5pz -0.011647 -0.085211 -0.003663 0.001124 -0.072805 0.002063 0Rh 5px -0.095609 -0.015895 0.060450 -0.139694 0.000099 0.101802 0Rh 5py 0.109407 -0.067888 0.058150 0.023097 0.016270 0.083233 0Rh 6pz -0.385679 0.422001 0.152544 -0.497828 -1.473481 1.054759 0Rh 6px 0.671598 0.145558 -0.316582 0.069267 -0.598379 -0.624325 0Rh 6py -0.466179 -0.154064 0.400266 0.543603 0.629344 1.791902 0Rh 1dz2 0.006755 0.015477 0.008478 0.007167 -0.021163 0.005812 0Rh 1dxz 0.001406 -0.013758 0.001859 0.010431 0.006750 -0.012569 0Rh 1dyz 0.002952 0.010440 0.019157 0.006425 0.008243 -0.005175 0Rh 1dx2y2 -0.011203 0.003294 0.011809 -0.012841 0.014978 0.007769 0Rh 1dxy 0.015118 -0.003877 0.010105 -0.014911 -0.007004 0.001766 0Rh 2dz2 0.000952 0.002040 0.000822 -0.000154 -0.002025 0.000760 0Rh 2dxz 0.000284 -0.002602 0.001199 -0.000463 0.001950 -0.000641 0Rh 2dyz -0.001163 -0.000162 0.000187 -0.000386 0.000738 -0.001166 0Rh 2dx2y2 -0.002920 0.000017 0.001157 0.000347 -0.000010 0.000317 0Rh 2dxy 0.002340 -0.001913 0.000827 -0.001200 -0.001774 -0.000632 0Rh 3dz2 -0.025856 -0.058565 -0.030540 -0.022213 0.077281 -0.022084 0Rh 3dxz -0.006022 0.055665 -0.011273 -0.031456 -0.030441 0.043730 0Rh 3dyz -0.004133 -0.032502 -0.061521 -0.018863 -0.029980 0.022105 0Rh 3dx2y2 0.049047 -0.010548 -0.042903 0.039596 -0.048203 -0.026739 0Rh 3dxy -0.058728 0.020919 -0.035770 0.053269 0.030534 -0.002980 0Rh 4dz2 0.023924 0.051980 0.019321 0.009570 -0.062865 0.018389 0Rh 4dxz 0.010312 -0.057412 0.018103 0.012928 0.034491 -0.033378 0Rh 4dyz -0.011981 0.013011 0.021449 0.005049 0.024864 -0.026031 0Rh 4dx2y2 -0.060383 0.004249 0.033445 -0.018391 0.026521 0.021589 0Rh 4dxy 0.054732 -0.030391 0.022185 -0.040605 -0.034151 -0.002813 0Rh 5dz2 -0.004856 -0.021483 0.090563 0.009901 -0.047317 0.021401 0Rh 5dxz -0.036535 0.031153 -0.022176 0.022080 0.063939 -0.030839 0Rh 5dyz 0.036504 0.007576 0.263466 0.035579 0.011001 0.003264 0Rh 5dx2y2 0.057405 0.024061 0.039955 -0.001087 0.035058 -0.011915 0Rh 5dxy -0.021655 0.001259 0.089661 -0.041859 -0.030354 -0.051620 0Rh 1f0 0.002907 -0.002696 0.018990 -0.008543 -0.030302 -0.026005 0Rh 1f+1 -0.022227 -0.001533 -0.003177 -0.014759 0.011831 0.005311 0Rh 1f-1 -0.013409 0.005939 0.037600 -0.023702 0.021871 -0.035025 0Rh 1f+2 0.008735 -0.003424 0.009782 0.001379 -0.039793 0.020990 0Rh 1f-2 -0.014131 -0.025627 -0.010652 -0.011652 -0.014544 -0.014845 0Rh 1f+3 -0.009474 0.016295 0.000675 -0.009160 0.034300 0.020518 0Rh 1f-3 -0.001678 -0.004456 0.034381 -0.003364 -0.009526 0.005204 1Rh 1s 0.000166 0.000236 -0.000566 -0.001175 0.000189 -0.001975 1Rh 2s -0.001609 -0.001860 0.002691 0.015753 -0.004994 0.013131 1Rh 3s 0.000013 0.000272 -0.001729 0.002580 -0.001913 -0.003768 1Rh 4s 0.008619 0.009890 -0.014360 -0.083226 0.026063 -0.070139 1Rh 5s -0.019453 -0.019844 0.021459 0.188279 -0.061164 0.131603 1Rh 6s 0.021523 0.012278 0.018967 -0.199543 0.066244 -0.038959 1Rh 7s 0.098446 0.017312 -0.250103 0.434805 0.007055 -0.401264 1Rh 8s 0.140285 -0.062397 0.074977 -0.173503 -0.030512 0.146445 1Rh 1pz -0.002665 0.002456 0.001132 -0.001249 0.007180 -0.004976 1Rh 1px 0.001888 0.000642 0.002080 -0.004260 0.005377 0.004969 1Rh 1py -0.001794 -0.002251 0.004920 -0.003192 -0.003169 -0.004921 1Rh 2pz 0.010369 -0.008949 -0.004358 0.004734 -0.027532 0.018872 1Rh 2px -0.006889 -0.002403 -0.007779 0.015724 -0.020533 -0.018775 1Rh 2py 0.006333 0.008972 -0.018435 0.012184 0.012076 0.018929 1Rh 3pz -0.025128 0.009076 0.009785 -0.008832 0.060533 -0.036661 1Rh 3px 0.006913 0.003951 0.012153 -0.019880 0.042333 0.032947 1Rh 3py -0.001900 -0.026411 0.030050 -0.025738 -0.025089 -0.043589 1Rh 4pz 0.025747 0.033844 -0.008402 0.000255 -0.053763 0.012757 1Rh 4px 0.028618 0.001705 0.012122 -0.045563 -0.021811 0.014812 1Rh 4py -0.044532 0.044520 0.018346 0.019247 0.017655 0.049486 1Rh 5pz -0.023536 -0.090183 0.015670 -0.004764 0.070632 0.012948 1Rh 5px -0.087028 -0.007248 -0.052881 0.140524 0.004701 -0.099855 1Rh 5py 0.108363 -0.072287 -0.059551 -0.020314 -0.019592 -0.069638 1Rh 6pz -0.424203 0.453932 -0.194603 0.508386 1.494325 -1.231634 1Rh 6px 0.614900 0.116617 0.269824 -0.110670 0.564460 0.543200 1Rh 6py -0.500129 -0.149186 -0.340958 -0.568417 -0.619636 -1.973243 1Rh 1dz2 -0.006489 -0.013617 0.010293 0.007105 -0.021249 0.007327 1Rh 1dxz -0.001833 0.013829 0.000181 0.010898 0.006625 -0.013500 1Rh 1dyz -0.002116 -0.007636 0.019305 0.006632 0.008480 -0.002767 1Rh 1dx2y2 0.012472 -0.002413 0.011488 -0.012970 0.015270 0.013233 1Rh 1dxy -0.014340 0.003299 0.010758 -0.015806 -0.007254 -0.015263 1Rh 2dz2 -0.000785 -0.001887 0.001117 -0.000159 -0.001995 0.000971 1Rh 2dxz -0.000093 0.002627 0.000899 -0.000401 0.001992 -0.000736 1Rh 2dyz 0.001194 0.000112 0.000027 -0.000296 0.000748 -0.001190 1Rh 2dx2y2 0.002736 0.000096 0.000959 0.000369 -0.000114 0.000770 1Rh 2dxy -0.002386 0.001814 0.000810 -0.001317 -0.001839 -0.001742 1Rh 3dz2 0.024279 0.051969 -0.037670 -0.022005 0.077414 -0.027880 1Rh 3dxz 0.006548 -0.056015 -0.004570 -0.033239 -0.030242 0.047166 1Rh 3dyz 0.001365 0.023842 -0.061273 -0.019941 -0.030790 0.014524 1Rh 3dx2y2 -0.052292 0.007249 -0.040974 0.039926 -0.048652 -0.046445 1Rh 3dxy 0.056461 -0.018576 -0.037787 0.056674 0.031641 0.057223 1Rh 4dz2 -0.021822 -0.047616 0.026305 0.009559 -0.062403 0.022136 1Rh 4dxz -0.008935 0.058025 0.011539 0.014631 0.035206 -0.036062 1Rh 4dyz 0.012913 -0.010726 0.019557 0.006665 0.025405 -0.026001 1Rh 4dx2y2 0.060469 -0.001723 0.029962 -0.018544 0.025130 0.036894 1Rh 4dxy -0.054229 0.027427 0.023192 -0.043760 -0.035601 -0.049783 1Rh 5dz2 0.013089 0.034280 0.085065 0.009406 -0.051188 0.061811 1Rh 5dxz 0.039455 -0.033581 -0.021114 0.021825 0.058068 -0.036071 1Rh 5dyz -0.020825 0.028205 0.261423 0.035178 0.011255 0.104290 1Rh 5dx2y2 -0.060598 -0.018532 0.047382 -0.000585 0.045072 0.006882 1Rh 5dxy 0.024861 0.006553 0.087556 -0.040693 -0.028230 -0.050733 1Rh 1f0 0.001543 -0.005372 -0.018389 0.008401 0.030262 0.020179 1Rh 1f+1 -0.023154 -0.000186 0.003926 0.014498 -0.011575 -0.000954 1Rh 1f-1 -0.017088 0.001943 -0.037260 0.024138 -0.021537 0.032443 1Rh 1f+2 0.010622 -0.002978 -0.009736 -0.000576 0.040281 -0.029079 1Rh 1f-2 -0.012812 -0.023174 0.013118 0.011625 0.015010 0.019093 1Rh 1f+3 -0.010483 0.016943 -0.001936 0.009495 -0.034392 -0.020726 1Rh 1f-3 -0.003270 -0.007339 -0.033643 0.003749 0.009342 -0.001204 2C 1s 0.009149 -0.000323 -0.018719 0.005794 0.000070 0.006367 2C 2s 0.027250 -0.001391 -0.056720 0.018406 -0.000761 0.020185 2C 3s -0.091302 0.039830 -0.065183 0.020468 -0.012419 -0.218303 2C 4s -0.273399 -0.143636 2.035831 -0.508943 0.056659 0.437468 2C 5s 0.426628 -0.478042 0.420435 -0.637252 0.555598 -0.499726 2C 1pz -0.008992 0.034629 -0.000925 0.025153 0.010714 -0.110081 2C 1px 0.029219 0.020643 0.010144 0.028535 -0.044268 0.066036 2C 1py -0.080277 -0.025885 0.037668 -0.045598 0.000536 -0.024707 2C 2pz 0.111646 -0.171314 0.599614 -0.257599 -0.207711 0.671341 2C 2px -0.352547 -0.190231 0.153095 -0.253394 0.318984 -0.379163 2C 2py 0.606604 0.100284 0.210045 0.263561 0.233719 0.164879 2C 3pz -0.032983 -0.141373 0.355531 -0.344802 0.259555 -0.183632 2C 3px -0.317024 -0.316871 0.285389 -0.231596 -0.021302 0.165143 2C 3py 0.336712 0.108364 0.120244 0.134103 -0.002201 -0.154641 2C 1dz2 0.139546 0.111839 -0.130896 0.200275 -0.034419 0.046169 2C 1dxz 0.033181 0.036502 -0.058694 0.001122 0.032644 -0.091192 2C 1dyz -0.089198 -0.130531 -0.051886 -0.058147 -0.010524 0.022886 2C 1dx2y2 0.272941 0.246164 -0.139797 0.194590 -0.039190 -0.056080 2C 1dxy 0.342969 0.267305 -0.210304 0.252180 -0.054348 -0.120878 2C 2dz2 -0.120614 -0.150985 0.322266 -0.314387 -0.082578 0.254526 2C 2dxz 0.062661 -0.069755 -0.085913 0.157258 0.027493 -0.184687 2C 2dyz 0.251394 0.131074 0.350530 -0.030659 0.108735 0.111389 2C 2dx2y2 -0.398217 -0.260760 0.180790 -0.359828 0.132224 -0.081775 2C 2dxy -0.533351 -0.286684 0.237280 -0.351582 0.083447 0.007663 2C 1f0 -0.014638 -0.078061 0.093546 -0.067820 0.002563 0.014678 2C 1f+1 -0.028795 -0.113538 0.065991 -0.004103 0.062800 -0.004132 2C 1f-1 -0.005442 0.026540 0.174763 -0.076557 0.039453 0.005078 2C 1f+2 -0.015556 -0.081292 -0.023887 -0.019898 0.046834 -0.000070 2C 1f-2 -0.058925 -0.063997 0.026573 -0.017396 -0.027790 -0.016496 2C 1f+3 0.009767 0.031213 0.004325 -0.000459 -0.046503 0.001108 2C 1f-3 0.019466 0.059122 0.019944 -0.015637 -0.033156 0.009622 3C 1s -0.000817 -0.009527 0.025866 0.006951 -0.005011 0.011548 3C 2s -0.001266 -0.028484 0.077230 0.020456 -0.016812 0.033184 3C 3s -0.070047 0.099256 0.006587 0.156466 0.122846 0.090924 3C 4s 0.362512 0.283455 -2.296441 -1.277184 -0.239261 -1.523849 3C 5s -0.228631 -0.431455 -0.771876 -0.867055 0.270721 -0.765283 3C 1pz -0.074473 0.086028 -0.036085 -0.020665 0.059129 0.022979 3C 1px -0.013528 0.024547 -0.031250 -0.049681 -0.052651 -0.017132 3C 1py -0.006309 -0.005483 0.015120 -0.096293 -0.055252 -0.017494 3C 2pz 0.462774 -0.719960 -0.123921 -0.009676 -0.539059 -0.458617 3C 2px -0.019595 -0.080247 -0.008353 0.249917 0.303893 0.200920 3C 2py 0.081856 0.009567 0.444354 0.778501 0.347194 0.546135 3C 3pz 0.280730 -0.456410 -0.075471 0.218461 0.019844 -0.263483 3C 3px 0.133193 0.151405 -0.233371 -0.173178 -0.064432 -0.165605 3C 3py 0.267660 -0.085505 0.554377 0.463695 -0.201106 0.290302 3C 1dz2 -0.454357 0.463701 -0.235179 -0.482611 0.056256 0.074846 3C 1dxz -0.059070 0.111734 -0.002936 -0.031977 0.057737 0.057150 3C 1dyz 0.066189 -0.033975 -0.096264 0.001020 0.054336 -0.080725 3C 1dx2y2 -0.045152 -0.117752 -0.065189 -0.005790 0.048254 -0.111673 3C 1dxy 0.203419 0.053465 -0.043306 0.024349 -0.053448 0.016585 3C 2dz2 0.569727 -0.659735 0.294099 0.620532 -0.180563 -0.078193 3C 2dxz 0.091542 -0.143907 0.032410 0.019012 -0.215034 -0.145261 3C 2dyz -0.084780 0.100488 0.305115 0.277463 -0.001459 0.206923 3C 2dx2y2 -0.019047 0.265405 0.150717 0.157314 0.229198 0.332884 3C 2dxy -0.188971 0.090443 0.030294 -0.212381 -0.064140 0.004495 3C 1f0 -0.015488 0.001432 0.070025 0.034629 -0.039736 0.048934 3C 1f+1 0.063222 -0.015473 -0.009036 0.006879 0.020263 -0.057033 3C 1f-1 -0.116622 0.076889 -0.041183 -0.092442 -0.016916 0.012898 3C 1f+2 0.040713 0.003987 0.106465 0.044702 -0.045154 0.037587 3C 1f-2 -0.091936 -0.041463 0.058255 0.003196 0.033677 0.078901 3C 1f+3 -0.048452 0.031846 -0.098008 -0.062350 -0.003484 -0.013150 3C 1f-3 0.071479 0.018764 0.095222 0.078325 0.019573 0.065725 4C 1s -0.001390 -0.001156 0.007951 -0.001296 -0.002322 -0.001802 4C 2s -0.003924 -0.001357 0.024552 -0.003671 -0.006226 -0.007017 4C 3s -0.039315 -0.223310 0.300115 -0.279086 0.135731 0.350194 4C 4s 0.099752 1.010002 -1.809343 1.010044 -0.323016 -1.296956 4C 5s -0.534824 1.259905 -1.341275 0.686820 -0.217081 0.129260 4C 1pz -0.018312 -0.023269 -0.083553 -0.029364 0.013522 0.014497 4C 1px -0.003800 0.021396 0.029571 -0.046593 0.039445 -0.045181 4C 1py 0.033485 0.000288 -0.047868 -0.017027 0.048256 -0.005871 4C 2pz 0.470970 0.396688 0.617167 0.135579 -0.245799 0.579730 4C 2px -0.064995 -0.064957 -0.464292 0.306065 0.431735 -1.070077 4C 2py 0.004595 0.027757 0.307153 0.026438 -0.041295 -0.062204 4C 3pz 0.197710 0.143219 0.161242 -0.039850 0.368823 -0.477035 4C 3px 0.577936 0.576551 -0.021246 -0.057407 0.349322 -0.537824 4C 3py -0.202849 0.137375 0.162637 -0.514475 0.437691 -0.361565 4C 1dz2 0.045202 0.071603 -0.035449 0.092660 0.092207 -0.079541 4C 1dxz 0.132241 0.196686 0.016639 0.033623 -0.040106 0.110606 4C 1dyz -0.022596 -0.083744 0.146256 -0.079772 -0.020511 0.054108 4C 1dx2y2 0.044315 0.016348 0.118542 0.003377 0.051253 0.127313 4C 1dxy 0.006354 -0.070352 0.169081 -0.148071 0.015044 0.108516 4C 2dz2 -0.013939 -0.091499 0.108434 -0.319626 -0.223413 0.668689 4C 2dxz -0.443284 -0.450993 -0.390611 -0.102521 0.331951 -0.913106 4C 2dyz 0.165952 0.339636 -0.696981 0.273747 -0.109366 -0.144035 4C 2dx2y2 -0.197885 -0.013943 -0.180219 0.096207 -0.229634 -0.378775 4C 2dxy -0.026491 0.036106 -0.640106 0.520847 0.445875 -0.924752 4C 1f0 0.022079 -0.046805 0.097177 0.033969 0.143074 0.054765 4C 1f+1 0.068955 -0.005589 0.076501 -0.045330 -0.043480 -0.000626 4C 1f-1 -0.026826 0.050072 0.243804 -0.141097 -0.021368 -0.041735 4C 1f+2 0.132913 0.075154 -0.125981 0.092538 -0.052211 -0.018652 4C 1f-2 0.011852 0.015141 0.031915 0.015809 0.079361 -0.046272 4C 1f+3 0.063982 0.032987 0.078044 0.011989 0.110035 0.042882 4C 1f-3 -0.035796 -0.010722 0.117389 -0.103803 -0.014564 0.125111 5C 1s -0.003424 0.001919 -0.008006 0.000784 0.001065 -0.000890 5C 2s -0.009080 0.005023 -0.025239 0.003512 0.004527 -0.002993 5C 3s -0.146227 0.083830 -0.130044 -0.426001 0.069798 0.055812 5C 4s 0.840767 -0.346093 1.116538 1.561372 -0.160146 0.057904 5C 5s 1.308243 0.210381 1.303913 0.749518 -0.487622 0.338596 5C 1pz -0.008367 -0.028481 0.085968 0.009375 0.000666 0.051977 5C 1px -0.014942 -0.019628 0.015762 0.011674 0.084215 0.047840 5C 1py 0.042243 -0.022474 -0.108902 0.010712 -0.036107 -0.077680 5C 2pz 0.232812 -0.094591 -0.632534 -0.549494 -0.500613 -0.766395 5C 2px 0.016876 -0.003444 0.215907 0.604612 0.475672 0.155046 5C 2py -0.714813 0.546711 0.667747 0.311240 0.658415 1.066917 5C 3pz 0.097139 0.373123 -0.480906 -0.679457 0.025917 -0.387486 5C 3px -0.142501 -0.557624 -0.107609 0.109237 0.664675 -0.132432 5C 3py -0.604241 0.398982 0.563468 0.222725 -0.054177 0.753596 5C 1dz2 0.001802 0.075627 0.115133 0.053848 -0.026312 -0.018525 5C 1dxz -0.077701 -0.023868 -0.053757 -0.035403 -0.011119 -0.147084 5C 1dyz 0.164151 -0.092918 0.086414 0.085583 -0.047546 -0.037508 5C 1dx2y2 -0.162563 0.078193 -0.096926 -0.153598 0.032697 0.019152 5C 1dxy -0.077215 0.074789 0.038232 0.081231 0.045377 0.066863 5C 2dz2 0.111154 -0.165708 -0.295962 -0.351850 -0.095475 -0.176330 5C 2dxz -0.010624 -0.060186 0.370556 0.468052 0.373702 0.726222 5C 2dyz -0.491165 0.390815 -0.396045 -0.229036 0.346137 0.103876 5C 2dx2y2 0.365658 -0.123744 0.082934 0.655839 0.039647 -0.137411 5C 2dxy 0.190077 -0.222870 -0.579215 -0.673988 -0.655727 -0.527006 5C 1f0 -0.024016 0.043154 0.179395 0.075615 0.021987 0.066562 5C 1f+1 -0.081522 0.047909 -0.024547 -0.079418 0.005219 0.105170 5C 1f-1 0.011002 -0.092135 0.055025 0.079323 -0.050794 0.080549 5C 1f+2 -0.004984 -0.085627 0.149073 0.061995 -0.084822 0.098111 5C 1f-2 0.062365 -0.075998 0.098038 0.049339 -0.048533 -0.053230 5C 1f+3 0.008895 -0.040610 -0.169356 -0.089725 0.101246 -0.143335 5C 1f-3 0.032079 -0.001667 0.091129 0.052948 -0.000284 -0.066872 6C 1s 0.002520 -0.002697 -0.007996 0.000870 0.001111 0.000068 6C 2s 0.006484 -0.007352 -0.025127 0.003720 0.004712 -0.000326 6C 3s 0.173865 -0.124505 -0.139108 -0.418304 0.071146 0.308790 6C 4s -0.891245 0.576943 1.172626 1.516763 -0.170603 -1.408771 6C 5s -1.354140 -0.059198 1.448218 0.699132 -0.482780 -0.254441 6C 1pz -0.012532 -0.037384 -0.081928 -0.009233 0.000230 0.014237 6C 1px -0.016743 -0.021219 -0.013665 -0.011994 -0.084600 -0.022985 6C 1py 0.045902 -0.010431 0.109162 -0.010806 0.035073 -0.036979 6C 2pz 0.238519 -0.001612 0.625062 0.544010 0.483905 -0.327269 6C 2px 0.023746 -0.058416 -0.225517 -0.590020 -0.466302 -0.276108 6C 2py -0.709074 0.434396 -0.685608 -0.314186 -0.635967 0.549753 6C 3pz 0.048652 0.401501 0.433631 0.682466 -0.033128 -0.123816 6C 3px -0.193237 -0.629790 0.136169 -0.111159 -0.675360 0.144259 6C 3py -0.503435 0.355059 -0.566585 -0.237042 0.077557 -0.138190 6C 1dz2 -0.011129 -0.061831 0.124663 0.052712 -0.026494 -0.085499 6C 1dxz 0.072728 0.033204 -0.054774 -0.035169 -0.008966 -0.066125 6C 1dyz -0.153209 0.107766 0.086101 0.081616 -0.047528 -0.085398 6C 1dx2y2 0.161599 -0.088450 -0.098162 -0.149831 0.033104 -0.032123 6C 1dxy 0.073161 -0.060491 0.043286 0.080196 0.040283 -0.033351 6C 2dz2 -0.091775 0.104930 -0.318550 -0.345203 -0.086796 0.051734 6C 2dxz 0.027999 0.098150 0.354991 0.457985 0.356999 0.207349 6C 2dyz 0.462937 -0.440442 -0.383620 -0.218945 0.344535 0.440834 6C 2dx2y2 -0.377729 0.144910 0.093870 0.643136 0.034337 0.209557 6C 2dxy -0.183242 0.118831 -0.596612 -0.660878 -0.636719 0.271609 6C 1f0 -0.015082 0.030391 -0.179274 -0.074059 -0.018920 0.140845 6C 1f+1 -0.078819 0.052529 0.024131 0.078186 -0.004743 -0.051420 6C 1f-1 0.007057 -0.098292 -0.045872 -0.078737 0.052211 -0.060615 6C 1f+2 -0.006767 -0.102202 -0.140275 -0.063553 0.087907 -0.001965 6C 1f-2 0.062202 -0.083124 -0.093503 -0.048982 0.048653 0.108924 6C 1f+3 0.008189 -0.022315 0.172506 0.086331 -0.105707 0.057669 6C 1f-3 0.033990 -0.020292 -0.095554 -0.052625 0.000101 0.103042 7C 1s 0.001368 0.001888 0.007770 -0.001330 -0.002263 -0.003285 7C 2s 0.004077 0.003519 0.024241 -0.003844 -0.006026 -0.010819 7C 3s 0.085069 0.258945 0.274641 -0.274488 0.132988 0.099161 7C 4s -0.279593 -1.215262 -1.699589 0.991099 -0.322867 0.064492 7C 5s 0.363576 -1.432480 -1.228013 0.705511 -0.223940 0.800658 7C 1pz -0.011534 -0.005634 0.086991 0.031265 -0.013346 -0.075973 7C 1px -0.007582 0.021140 -0.031518 0.047035 -0.039831 0.049802 7C 1py 0.034795 0.012933 0.044959 0.019835 -0.049588 -0.047322 7C 2pz 0.387122 0.258064 -0.684495 -0.150755 0.248722 0.374806 7C 2px 0.003728 0.017186 0.470939 -0.288613 -0.424342 0.737478 7C 2py -0.012694 -0.048361 -0.302831 -0.038701 0.051416 0.539250 7C 3pz 0.053889 0.050804 -0.199012 0.053019 -0.341183 0.614457 7C 3px 0.536396 0.660969 -0.059625 0.094502 -0.370347 0.314613 7C 3py -0.297989 0.076932 -0.145337 0.516883 -0.421778 0.422274 7C 1dz2 -0.049632 -0.077980 -0.024999 0.091775 0.092804 -0.073677 7C 1dxz -0.119021 -0.203736 0.046592 0.031285 -0.035195 0.020844 7C 1dyz 0.024182 0.091673 0.137559 -0.079166 -0.020523 -0.022954 7C 1dx2y2 -0.027353 -0.011915 0.124507 0.003644 0.051811 0.097367 7C 1dxy 0.015082 0.091179 0.159738 -0.148906 0.018250 0.053062 7C 2dz2 0.039617 0.108604 0.090902 -0.317133 -0.218297 0.691703 7C 2dxz 0.373735 0.388858 -0.465578 -0.112288 0.315037 -0.409817 7C 2dyz -0.194313 -0.417382 -0.653289 0.261564 -0.108232 0.241770 7C 2dx2y2 0.159640 0.034045 -0.198977 0.108429 -0.235768 -0.423276 7C 2dxy -0.056904 -0.126428 -0.630502 0.510699 0.438398 -0.422491 7C 1f0 0.015467 -0.053081 -0.095857 -0.031310 -0.144797 -0.085048 7C 1f+1 0.058694 -0.010661 -0.078582 0.046665 0.042579 0.031854 7C 1f-1 -0.058217 0.021486 -0.248686 0.140313 0.021427 0.193249 7C 1f+2 0.139215 0.089853 0.112481 -0.092500 0.050109 -0.030710 7C 1f-2 0.009499 0.007759 -0.031695 -0.016327 -0.079982 0.062416 7C 1f+3 0.052464 0.019724 -0.080747 -0.013052 -0.113503 -0.012130 7C 1f-3 -0.045665 -0.021351 -0.112664 0.103040 0.014587 -0.088307 8C 1s 0.000823 0.011612 0.024748 0.006901 -0.005239 -0.003040 8C 2s 0.001348 0.034654 0.073901 0.020290 -0.017525 -0.009033 8C 3s 0.060977 -0.079064 0.016530 0.155866 0.120732 -0.182104 8C 4s -0.342491 -0.573275 -2.253630 -1.265191 -0.205010 1.312204 8C 5s 0.357805 0.372946 -0.841129 -0.855557 0.282160 -0.113752 8C 1pz -0.070783 0.082947 0.028884 0.020128 -0.058725 -0.000052 8C 1px -0.010796 0.027924 0.028908 0.047465 0.051844 0.010321 8C 1py -0.010519 -0.002185 -0.013599 0.095422 0.055270 -0.047547 8C 2pz 0.438958 -0.660560 0.186570 0.005804 0.530713 -0.379109 8C 2px -0.021263 -0.064985 0.021185 -0.237006 -0.300913 -0.403198 8C 2py 0.074398 -0.087653 -0.452338 -0.763434 -0.332873 0.606858 8C 3pz 0.250831 -0.445894 0.110323 -0.215256 -0.026957 0.117333 8C 3px 0.122375 0.210868 0.228567 0.177494 0.058442 -0.036196 8C 3py 0.297045 -0.114797 -0.554668 -0.454242 0.206109 0.151076 8C 1dz2 0.438388 -0.478911 -0.202570 -0.474737 0.056269 0.175638 8C 1dxz 0.048190 -0.111674 0.006138 -0.027791 0.056580 0.014201 8C 1dyz -0.061819 0.028555 -0.094522 0.001360 0.056452 0.029119 8C 1dx2y2 0.053043 0.129962 -0.074241 -0.004066 0.049027 -0.043294 8C 1dxy -0.205554 -0.084490 -0.035547 0.019864 -0.050368 0.055304 8C 2dz2 -0.548322 0.675473 0.245384 0.610039 -0.183756 -0.212085 8C 2dxz -0.082589 0.141810 0.021306 0.017095 -0.212058 0.035668 8C 2dyz 0.076358 -0.049872 0.311432 0.272848 -0.012256 -0.308106 8C 2dx2y2 0.016412 -0.246849 0.174519 0.152005 0.223939 -0.080146 8C 2dxy 0.193560 -0.063293 0.037677 -0.205871 -0.062619 -0.191861 8C 1f0 -0.019901 -0.009789 -0.068281 -0.033515 0.042675 0.021699 8C 1f+1 0.063265 -0.012548 0.007530 -0.006857 -0.021901 0.053695 8C 1f-1 -0.113717 0.081174 0.038460 0.089208 0.017034 -0.018019 8C 1f+2 0.042004 -0.002537 -0.107482 -0.043894 0.046896 0.041643 8C 1f-2 -0.093884 -0.054195 -0.052842 -0.004521 -0.031849 0.007633 8C 1f+3 -0.045192 0.044141 0.095939 0.061038 0.003442 -0.119219 8C 1f-3 0.071319 0.012617 -0.098339 -0.075657 -0.017561 0.063089 9C 1s -0.011309 -0.002981 -0.018231 0.005404 0.000213 0.015547 9C 2s -0.033696 -0.008237 -0.055343 0.017348 -0.000390 0.046747 9C 3s 0.078436 -0.057325 -0.065229 0.018114 -0.009492 -0.043299 9C 4s 0.501149 0.505688 2.003673 -0.465036 0.036924 -1.311534 9C 5s -0.231239 0.595195 0.385151 -0.661017 0.524869 -0.664070 9C 1pz -0.006032 0.042703 -0.004834 -0.022598 -0.012518 0.067896 9C 1px 0.028935 0.016834 -0.013580 -0.030137 0.043214 -0.049938 9C 1py -0.077599 -0.031505 -0.027890 0.042982 -0.000747 0.012475 9C 2pz 0.068418 -0.281023 -0.570882 0.235326 0.215230 0.146860 9C 2px -0.348577 -0.171612 -0.120982 0.265130 -0.304653 0.291817 9C 2py 0.567322 0.086409 -0.276632 -0.245825 -0.240164 0.164098 9C 3pz -0.104626 -0.214674 -0.320168 0.343548 -0.251632 0.371677 9C 3px -0.342385 -0.370763 -0.244642 0.225252 0.026673 -0.026543 9C 3py 0.282632 0.093937 -0.170713 -0.117188 0.002034 0.289483 9C 1dz2 -0.148007 -0.148484 -0.091595 0.193593 -0.032730 0.075217 9C 1dxz -0.035938 -0.041364 -0.059462 0.001164 0.035067 -0.066968 9C 1dyz 0.072066 0.135736 -0.082451 -0.053470 -0.010431 0.104563 9C 1dx2y2 -0.259747 -0.253816 -0.099248 0.182590 -0.032985 -0.085046 9C 1dxy -0.348681 -0.311024 -0.160224 0.244767 -0.050117 -0.108520 9C 2dz2 0.143542 0.220766 0.274943 -0.301931 -0.084950 -0.032091 9C 2dxz -0.082578 0.056509 -0.083865 0.155251 0.021757 -0.151331 9C 2dyz -0.209169 -0.117370 0.396002 -0.039554 0.110698 -0.206595 9C 2dx2y2 0.388633 0.252271 0.135113 -0.351231 0.126048 0.045068 9C 2dxy 0.534861 0.335178 0.168623 -0.342661 0.077355 -0.060787 9C 1f0 -0.021047 -0.090504 -0.080179 0.066086 -0.002909 -0.000239 9C 1f+1 -0.027812 -0.130258 -0.051429 0.000705 -0.062622 0.010695 9C 1f-1 -0.018448 0.011072 -0.177072 0.078096 -0.041408 0.084496 9C 1f+2 -0.007147 -0.077585 0.037650 0.018626 -0.047247 -0.092949 9C 1f-2 -0.057925 -0.075963 -0.016959 0.013602 0.029936 0.036793 9C 1f+3 0.011789 0.033428 -0.009217 -0.000112 0.046231 0.041378 9C 1f-3 0.014968 0.059755 -0.027369 0.014964 0.034508 0.037011 10H 1s -0.003701 -0.024565 0.017142 0.037507 -0.021248 0.051723 10H 2s 0.479128 0.160172 -0.644646 0.398907 -0.205124 0.119686 10H 3s 0.015931 0.135313 0.033334 0.065837 0.056404 -0.091425 10H 1pz 0.098664 -0.005003 -0.117144 0.079929 -0.041265 0.085885 10H 1px -0.133118 -0.010451 0.261555 -0.103990 0.020175 0.013686 10H 1py 0.105146 0.036847 -0.060566 0.060746 -0.073913 0.019279 11H 1s -0.050246 0.005574 0.046694 -0.051291 0.041925 0.027302 11H 2s -0.188598 -0.078307 -0.167247 -0.209367 -0.054498 0.109949 11H 3s -0.184094 -0.094439 0.213677 -0.102854 0.093892 0.030316 11H 1pz -0.072232 0.023331 -0.064700 -0.060065 -0.029867 -0.003340 11H 1px 0.025621 -0.004703 -0.104415 -0.004950 -0.035333 0.032068 11H 1py -0.106662 0.019880 0.160297 -0.098799 0.012785 -0.083896 12H 1s 0.040825 0.005163 0.014776 -0.011387 -0.024317 -0.056271 12H 2s 0.423400 0.103979 -0.357661 0.228800 0.253960 0.004296 12H 3s -0.009220 0.084503 0.112068 0.063844 -0.152808 -0.031829 12H 1pz 0.007512 0.021581 0.126570 -0.026434 0.081772 -0.123033 12H 1px 0.015780 -0.017421 -0.011684 -0.047186 0.067014 0.024460 12H 1py 0.166064 0.005943 -0.186658 0.111293 0.089449 0.000782 13H 1s 0.008459 0.013145 -0.030196 -0.028191 -0.082561 -0.001757 13H 2s 0.111959 -0.488344 0.677927 0.272543 -0.369933 -0.004300 13H 3s 0.042443 -0.043238 -0.089417 0.110887 0.041361 -0.012922 13H 1pz 0.048600 -0.162484 0.226088 0.118298 -0.084394 0.003999 13H 1px 0.042267 0.073033 -0.254025 -0.088036 0.026102 -0.107772 13H 1py -0.011544 0.052033 -0.049939 0.045852 0.135114 0.033331 14H 1s 0.017680 -0.036761 -0.031386 0.033657 0.055646 -0.063190 14H 2s 0.116048 -0.476606 0.626757 0.496299 -0.045856 0.426250 14H 3s 0.164773 0.049285 -0.111958 0.059918 0.026006 -0.143337 14H 1pz 0.004226 -0.138459 0.189212 0.161345 -0.050758 0.108516 14H 1px -0.046748 -0.122033 0.240498 0.094681 -0.008963 0.171654 14H 1py 0.015330 0.022423 0.121394 -0.037866 -0.118132 0.008425 15H 1s -0.001089 0.039363 -0.048733 -0.075705 0.013615 -0.014385 15H 2s -0.317155 0.195354 0.427872 -0.067917 0.158686 0.379173 15H 3s -0.118677 0.180972 -0.259165 -0.128040 0.045629 -0.025253 15H 1pz 0.007811 0.105776 -0.264026 -0.080311 0.079367 -0.119317 15H 1px 0.008514 0.036992 0.011053 0.008917 0.053443 0.000490 15H 1py 0.091709 -0.058427 -0.170716 -0.023458 -0.077021 -0.135220 16H 1s -0.010007 -0.006748 -0.004397 0.013905 -0.006703 0.064828 16H 2s 0.208981 -0.075172 -0.166426 0.228445 -0.067119 -0.591947 16H 3s -0.018440 -0.008060 -0.000306 -0.003129 -0.063340 0.066998 16H 1pz 0.079195 -0.033024 -0.067681 0.100324 -0.032082 -0.183050 16H 1px 0.010022 0.004438 -0.007386 0.009538 0.002393 -0.010867 16H 1py 0.001283 -0.007257 -0.011612 0.011961 -0.001873 -0.036378 17H 1s 0.001912 -0.010470 0.013654 0.013916 0.018009 0.053620 17H 2s 0.256676 0.065143 -0.176097 0.213436 -0.230397 -0.448250 17H 3s -0.007000 -0.010284 0.022514 0.019437 0.094438 -0.001232 17H 1pz -0.072055 -0.002430 0.050717 -0.070696 0.072211 0.107901 17H 1px -0.064417 -0.020126 0.032028 -0.065347 0.020762 0.082464 17H 1py 0.029586 0.015470 -0.013785 0.031338 -0.028741 -0.026756 18H 1s 0.000315 0.011272 0.011868 0.014030 0.016161 0.060390 18H 2s -0.279779 -0.040595 -0.155166 0.226748 -0.199504 -0.465035 18H 3s 0.006124 0.010793 0.022464 0.015546 0.095723 0.002518 18H 1pz -0.079540 0.004443 -0.047551 0.075874 -0.066453 -0.113941 18H 1px -0.069441 -0.012752 -0.026430 0.068194 -0.011327 -0.082656 18H 1py 0.029677 0.011505 0.009426 -0.030905 0.023060 0.028083 19H 1s 0.011729 0.005936 -0.005709 0.013969 -0.008809 0.061287 19H 2s -0.240146 0.098093 -0.164665 0.246990 -0.039134 -0.573261 19H 3s 0.016397 0.008022 -0.001562 -0.003994 -0.061331 0.071276 19H 1pz 0.090346 -0.041550 0.067275 -0.107815 0.021915 0.170933 19H 1px 0.009383 0.004909 0.006190 -0.007976 -0.000013 0.017728 19H 1py 0.006355 -0.008984 0.014007 -0.016081 0.000410 0.038121 20H 1s 0.006565 -0.042295 -0.044249 -0.075438 0.013974 0.051322 20H 2s 0.294905 -0.156043 0.437812 -0.065270 0.158334 -0.056607 20H 3s 0.112675 -0.197086 -0.244666 -0.124773 0.045379 0.148311 20H 1pz 0.006127 0.123362 0.250954 0.079933 -0.082323 -0.039679 20H 1px 0.010427 0.037578 -0.016160 -0.008005 -0.054423 0.031152 20H 1py 0.082234 -0.040137 0.173667 0.024027 0.076867 -0.058562 21H 1s -0.016782 0.033804 -0.034782 0.032386 0.055909 -0.039703 21H 2s -0.115899 0.520351 0.577899 0.486861 -0.050979 0.065871 21H 3s -0.167824 -0.073663 -0.102943 0.057720 0.031065 -0.060478 21H 1pz 0.005878 -0.156886 -0.175626 -0.160241 0.053433 0.001005 21H 1px -0.046800 -0.140493 -0.223486 -0.092754 0.011176 -0.029282 21H 1py 0.018236 0.014841 -0.123392 0.036470 0.118902 0.053514 22H 1s -0.010642 -0.019763 -0.029225 -0.026683 -0.082217 0.028387 22H 2s -0.112728 0.553548 0.634092 0.277312 -0.374195 -0.231375 22H 3s -0.044511 0.048222 -0.084358 0.109086 0.043506 0.048768 22H 1pz 0.051272 -0.178908 -0.208961 -0.118516 0.084693 0.101461 22H 1px 0.041609 0.100782 0.245013 0.089329 -0.029440 -0.031976 22H 1py -0.010683 0.055721 0.046582 -0.042409 -0.134842 0.001508 23H 1s -0.034637 -0.006569 0.020444 -0.013705 -0.024340 -0.068467 23H 2s -0.466367 -0.218612 -0.301079 0.198737 0.265310 0.345017 23H 3s 0.019134 -0.074276 0.130134 0.064624 -0.150105 -0.157060 23H 1pz -0.008343 0.014161 -0.133542 0.030348 -0.082695 0.128372 23H 1px 0.015665 -0.005014 0.008715 0.051485 -0.067981 -0.070990 23H 1py 0.192384 0.053363 0.171304 -0.099829 -0.095031 -0.168027 24H 1s 0.058859 0.005117 0.042289 -0.049031 0.041523 -0.018652 24H 2s 0.137086 0.015053 -0.193427 -0.213763 -0.054586 0.279261 24H 3s 0.197570 0.134086 0.189435 -0.095745 0.095652 -0.069926 24H 1pz -0.054616 0.046173 0.069700 0.061354 0.030302 -0.043711 24H 1px 0.042753 0.024861 0.101989 0.008636 0.034221 -0.091772 24H 1py -0.126569 -0.002850 -0.156384 0.097794 -0.011835 0.174362 25H 1s 0.002541 0.035091 0.012794 0.040625 -0.023023 0.037267 25H 2s -0.549261 -0.240190 -0.612202 0.394177 -0.194719 0.276161 25H 3s -0.012109 -0.130288 0.043778 0.065682 0.057299 -0.118772 25H 1pz 0.113946 0.002760 0.118311 -0.082044 0.038699 -0.098726 25H 1px -0.164642 -0.055026 -0.252956 0.099467 -0.017633 0.101026 25H 1py 0.107172 0.044075 0.046902 -0.058548 0.072768 -0.016301 26O 1s 0.008204 0.003278 0.015078 -0.022492 0.026827 -0.022163 26O 2s 0.028764 0.012389 0.052460 -0.078922 0.093165 -0.076636 26O 3s -0.220318 -0.100543 -0.471039 0.645743 -0.676904 0.484276 26O 4s 0.516199 0.268483 1.327883 -1.536605 1.125483 -0.269887 26O 5s -0.632057 -1.068542 0.318716 0.394583 -1.749492 2.816272 26O 1pz 0.070812 0.090513 -0.156573 0.074295 -0.059817 -0.024568 26O 1px -0.110295 -0.098651 0.170221 -0.018649 -0.206934 0.315951 26O 1py 0.100558 0.021426 -0.037658 0.100429 -0.024288 0.086792 26O 2pz -0.086980 -0.146453 0.279569 -0.070397 0.140571 0.018735 26O 2px 0.191707 0.203033 -0.725956 0.371620 0.496606 -1.107224 26O 2py -0.219419 -0.040065 -0.097313 -0.088275 0.003177 -0.397029 26O 3pz -0.131482 0.152440 -0.075849 0.035231 -0.226088 0.533638 26O 3px -0.236758 0.221454 0.086600 -0.111474 0.000442 0.154087 26O 3py 0.040911 0.222679 -0.098419 -0.006298 -0.315641 0.227596 26O 1dz2 -0.000499 0.007064 -0.007080 0.002317 -0.003727 -0.005943 26O 1dxz -0.001183 -0.003606 -0.004000 -0.001186 0.002877 0.006952 26O 1dyz -0.000591 -0.004154 -0.004730 0.002557 0.002140 0.003691 26O 1dx2y2 -0.000774 -0.005955 0.008984 -0.000315 -0.002724 0.004784 26O 1dxy 0.002589 -0.001232 0.001379 0.000384 -0.009363 0.004193 26O 2dz2 0.014597 0.053159 -0.075511 0.014963 0.028623 -0.065234 26O 2dxz 0.058503 0.081094 -0.121291 -0.002891 -0.048075 -0.032561 26O 2dyz 0.029796 -0.008074 -0.090318 0.008962 -0.002970 -0.042914 26O 2dx2y2 -0.088602 -0.054984 0.081752 -0.032544 -0.153925 0.096791 26O 2dxy 0.040442 -0.009927 -0.006132 0.059032 0.050944 0.051157 26O 1f0 -0.012986 -0.017886 0.003257 -0.004902 0.012482 -0.001022 26O 1f+1 0.004766 0.007737 0.002013 -0.003157 -0.000942 0.010663 26O 1f-1 0.008012 0.014893 0.004610 0.000899 0.001669 -0.002478 26O 1f+2 0.006768 0.015475 0.004623 0.001642 -0.002659 0.012946 26O 1f-2 0.018879 0.014267 -0.008978 0.011826 -0.001092 -0.005760 26O 1f+3 0.002312 -0.005073 0.011324 -0.015047 0.004222 0.001115 26O 1f-3 0.004537 0.001006 0.020027 -0.014811 0.002196 0.012195 27O 1s 0.004344 -0.006982 -0.007991 0.000104 0.044595 0.019519 27O 2s 0.016532 -0.024459 -0.027618 -0.000286 0.154847 0.067560 27O 3s -0.116178 0.181433 0.261871 0.080654 -1.145685 -0.490804 27O 4s 0.146074 -0.411107 -0.790272 -0.651566 2.030598 0.820730 27O 5s -0.767509 0.928411 -0.166140 -1.156531 -2.594701 -0.824158 27O 1pz 0.032614 -0.177847 0.092524 0.168762 0.005690 0.009553 27O 1px -0.099955 0.087794 -0.158456 -0.151957 -0.280373 -0.137704 27O 1py 0.021306 0.085994 -0.122901 -0.024087 0.091438 0.062331 27O 2pz -0.071355 0.350313 -0.213468 -0.370452 0.005564 -0.100473 27O 2px 0.276516 -0.174506 0.554433 0.734057 0.572263 0.279626 27O 2py -0.103540 -0.112099 0.199396 -0.061028 -0.129703 -0.117861 27O 3pz -0.014864 -0.166992 0.097978 0.100444 -0.184733 -0.290317 27O 3px 0.200787 -0.012196 -0.030947 -0.051355 -0.157063 -0.277083 27O 3py 0.140638 -0.084308 -0.231397 0.179711 0.458258 0.082619 27O 1dz2 0.002211 0.000124 -0.000050 0.003329 -0.000318 0.005902 27O 1dxz 0.006885 -0.002619 0.008141 0.003463 0.003324 -0.002176 27O 1dyz 0.003935 0.000132 -0.002056 -0.001392 0.003947 0.001503 27O 1dx2y2 -0.007512 0.002319 -0.011074 -0.005937 -0.003062 0.000171 27O 1dxy 0.005438 0.000678 -0.005158 0.002061 0.005241 -0.003923 27O 2dz2 0.006997 -0.013919 -0.011999 0.014792 0.055348 0.001561 27O 2dxz 0.057336 -0.118492 0.068231 0.077986 0.000388 0.060437 27O 2dyz 0.041399 0.007993 -0.040977 -0.022252 0.005132 -0.025752 27O 2dx2y2 -0.072089 0.064004 -0.113566 -0.074512 -0.099797 -0.003614 27O 2dxy -0.051333 0.064426 -0.097639 -0.015906 -0.011667 0.072043 27O 1f0 0.006295 0.008543 0.013864 0.003407 -0.002351 0.011868 27O 1f+1 -0.004693 -0.002791 -0.011578 -0.014840 0.009611 0.000832 27O 1f-1 0.004393 -0.004198 0.005197 0.004817 -0.006915 0.004743 27O 1f+2 -0.007982 -0.000173 -0.005684 -0.009357 -0.005814 -0.010761 27O 1f-2 0.009851 0.008685 -0.005104 -0.009359 -0.003087 -0.001559 27O 1f+3 0.015466 -0.014537 0.000910 -0.003990 0.002043 -0.002777 27O 1f-3 0.025396 -0.018385 0.006023 0.008033 -0.010729 -0.021536 28O 1s 0.000712 -0.000268 0.005032 -0.001897 -0.014494 0.037031 28O 2s 0.002979 0.000623 0.015879 -0.006707 -0.050138 0.126884 28O 3s 0.005640 0.015686 -0.115290 0.067901 0.338037 -0.889181 28O 4s -0.213645 -0.238147 0.074188 -0.141762 -0.372465 1.241519 28O 5s -0.176234 -0.581671 0.029664 -0.319954 1.249085 -2.385670 28O 1pz -0.029409 -0.094925 0.011882 0.018153 0.099721 -0.118506 28O 1px 0.112932 0.069301 -0.083292 0.015147 -0.118190 0.326205 28O 1py 0.027121 0.010350 -0.018780 0.045237 -0.082900 0.068804 28O 2pz 0.176073 0.311879 -0.030921 0.055558 -0.348117 0.324123 28O 2px -0.313309 -0.261510 0.108930 -0.081931 0.370471 -0.864936 28O 2py -0.029191 -0.001473 0.025972 -0.032600 0.184966 -0.128532 28O 3pz -0.368815 -0.107858 -0.264990 0.026163 0.098239 -0.520071 28O 3px -0.104594 -0.318467 -0.035976 -0.079523 -0.045963 0.002835 28O 3py -0.039932 -0.055784 -0.120309 0.252349 0.172317 -0.183048 28O 1dz2 0.006258 0.000665 -0.007561 0.002431 0.001448 0.003638 28O 1dxz 0.000534 0.008371 -0.003556 0.001160 0.002095 0.005725 28O 1dyz 0.000087 -0.003667 -0.001128 -0.001642 0.003171 0.004315 28O 1dx2y2 -0.008005 -0.007822 0.009189 -0.000555 0.008455 -0.002978 28O 1dxy -0.004188 -0.002928 0.004992 -0.003308 -0.005581 -0.004608 28O 2dz2 0.059546 0.040285 -0.039864 0.008591 0.048141 0.104572 28O 2dxz -0.000049 0.024380 -0.054303 0.040225 -0.073858 0.086006 28O 2dyz -0.001804 -0.006831 -0.012170 -0.052967 -0.069444 0.090931 28O 2dx2y2 -0.039845 -0.033580 0.049964 -0.019207 0.020099 -0.132025 28O 2dxy -0.022671 -0.074027 0.047767 0.018046 0.090135 -0.007105 28O 1f0 -0.001405 0.001790 -0.010256 0.000562 -0.005801 -0.005293 28O 1f+1 -0.009629 -0.012207 0.010288 -0.015099 -0.011450 0.015449 28O 1f-1 -0.003806 -0.002483 -0.001333 0.007342 -0.006291 0.007253 28O 1f+2 0.002153 0.005303 0.002140 -0.002589 -0.005660 -0.002519 28O 1f-2 -0.005075 -0.006242 0.012136 -0.009742 0.013616 0.000530 28O 1f+3 0.000508 0.002212 0.001177 -0.002400 -0.010220 0.006328 28O 1f-3 0.003099 -0.008788 0.003865 -0.000496 0.011953 0.016227 29O 1s 0.009598 0.000467 -0.007060 0.012520 -0.007660 -0.018790 29O 2s 0.032168 0.001805 -0.023552 0.041526 -0.025508 -0.063051 29O 3s -0.202426 -0.015884 0.146401 -0.259419 0.161132 0.398867 29O 4s 0.332500 0.026349 -0.223351 0.385019 -0.218859 -0.592482 29O 5s -0.746039 0.006525 0.474775 -0.689626 0.315152 1.236476 29O 1pz -0.017620 0.006264 0.019436 -0.036077 0.017324 0.040932 29O 1px 0.039285 -0.001554 -0.043949 0.088496 -0.079230 -0.094325 29O 1py -0.033488 -0.000393 0.010720 -0.030087 0.002734 -0.002075 29O 2pz 0.044916 -0.043613 -0.060112 0.091390 -0.028478 -0.157894 29O 2px -0.138590 -0.006721 0.121244 -0.226100 0.184582 0.269405 29O 2py 0.124778 -0.000352 -0.065250 0.135778 -0.044081 -0.109426 29O 3pz -0.052884 -0.081388 0.019020 -0.013438 0.139428 -0.046453 29O 3px 0.141871 -0.020159 -0.098278 0.183682 -0.028024 -0.207089 29O 3py 0.160155 0.001916 -0.128236 0.059312 -0.131637 -0.443339 29O 1dz2 0.000543 -0.002619 -0.000920 0.001940 0.002245 -0.001755 29O 1dxz 0.001618 0.002706 -0.000515 0.000333 -0.003868 0.001708 29O 1dyz 0.000667 -0.000826 -0.001288 -0.001588 -0.001476 -0.003284 29O 1dx2y2 -0.001398 0.000054 0.001126 -0.002490 -0.001162 0.002291 29O 1dxy -0.003275 -0.000143 0.001620 0.000794 0.001238 0.005315 29O 2dz2 -0.010468 0.001512 0.017454 -0.026809 0.017872 0.040737 29O 2dxz -0.018741 0.004591 0.005126 -0.024727 -0.003995 0.029377 29O 2dyz 0.004450 0.028453 0.010931 -0.024239 -0.013149 0.026825 29O 2dx2y2 0.002769 -0.002411 -0.005686 0.002273 -0.013371 -0.019972 29O 2dxy 0.033214 0.000162 -0.022026 0.064202 -0.028299 -0.028726 29O 1f0 0.005048 0.001314 -0.002890 0.003564 -0.003299 -0.013363 29O 1f+1 -0.001795 -0.000990 0.001906 -0.001285 0.004585 0.005589 29O 1f-1 0.003493 0.000756 -0.001862 -0.000790 -0.002372 -0.014931 29O 1f+2 -0.000897 0.001528 0.000795 -0.003198 -0.003298 0.004620 29O 1f-2 0.002960 0.000488 -0.004151 0.000620 -0.001367 -0.011072 29O 1f+3 0.002246 -0.000886 -0.000931 0.000866 0.001414 -0.003897 29O 1f-3 0.000724 -0.000616 0.001050 -0.001476 -0.001053 0.003517 30O 1s 0.002100 -0.004071 -0.008721 -0.024965 -0.026845 -0.015613 30O 2s 0.007577 -0.015325 -0.029431 -0.085529 -0.092131 -0.055411 30O 3s -0.024743 0.091926 0.212086 0.608001 0.619521 0.374858 30O 4s -0.130052 0.013299 -0.255975 -0.884426 -0.772348 -0.355922 30O 5s -1.195317 0.413626 0.695609 1.353996 2.498826 2.102679 30O 1pz 0.021467 0.055770 0.006363 0.049550 0.058673 0.026136 30O 1px 0.181494 -0.126123 0.071493 -0.139905 -0.289265 -0.186676 30O 1py -0.011047 -0.039215 -0.000945 -0.055695 -0.029276 -0.093662 30O 2pz 0.040015 -0.177262 -0.057334 -0.114648 -0.298430 -0.172712 30O 2px -0.480577 0.322660 -0.052757 0.375571 0.782283 0.589287 30O 2py -0.100755 0.187471 0.061370 0.114761 0.230168 0.406111 30O 3pz 0.337288 0.090642 0.220475 0.153341 -0.060747 0.323255 30O 3px -0.234776 0.138211 0.185655 0.121990 0.074681 0.236324 30O 3py -0.182282 -0.430717 -0.160086 -0.083334 -0.138073 -0.177525 30O 1dz2 0.002813 -0.004968 0.003875 -0.003635 -0.003653 -0.000929 30O 1dxz 0.006139 -0.004370 0.006437 -0.002950 0.000668 -0.009699 30O 1dyz 0.003859 -0.001931 -0.005914 0.001273 -0.001301 -0.008186 30O 1dx2y2 -0.006240 0.009546 -0.011848 -0.002038 0.006150 -0.003079 30O 1dxy -0.004536 0.000066 -0.001026 0.000460 0.004611 0.000134 30O 2dz2 0.074788 -0.020721 0.004277 -0.061492 -0.038391 -0.107310 30O 2dxz 0.008193 -0.022768 0.038225 -0.052755 -0.111904 0.020750 30O 2dyz 0.003776 0.002805 -0.049355 0.052907 0.000903 -0.022357 30O 2dx2y2 -0.120280 0.095659 -0.100994 0.029368 0.107199 0.034501 30O 2dxy -0.056447 -0.021610 -0.008334 0.060904 0.089072 0.087789 30O 1f0 -0.009258 0.000620 0.001215 -0.005415 0.004550 0.007351 30O 1f+1 -0.005584 -0.006537 -0.003370 -0.001621 -0.005249 0.011776 30O 1f-1 -0.007623 0.000377 -0.006475 -0.002624 0.011908 -0.002257 30O 1f+2 -0.005939 0.003979 -0.002402 -0.006382 0.010674 -0.000907 30O 1f-2 0.006044 -0.007242 0.004917 0.004098 -0.007772 -0.012031 30O 1f+3 -0.009233 0.014370 -0.003935 -0.018340 -0.001239 0.011687 30O 1f-3 -0.003515 -0.003452 -0.015115 -0.004395 0.000127 -0.000559 31O 1s -0.000749 0.002324 -0.009347 -0.024798 -0.026904 -0.007105 31O 2s -0.002796 0.009636 -0.031662 -0.085035 -0.092343 -0.026323 31O 3s -0.010249 -0.053717 0.228192 0.605702 0.622089 0.196254 31O 4s 0.190712 -0.053962 -0.278065 -0.888696 -0.786942 -0.367529 31O 5s 1.129717 -0.314046 0.676107 1.376193 2.477808 0.974913 31O 1pz 0.028179 0.061917 -0.011515 -0.049375 -0.059338 -0.015926 31O 1px 0.168587 -0.122408 -0.065251 0.142584 0.285266 0.096048 31O 1py -0.018632 -0.044363 0.004232 0.054511 0.028028 0.087590 31O 2pz 0.027982 -0.183356 0.068259 0.113897 0.297547 0.038802 31O 2px -0.454478 0.301718 0.041278 -0.378768 -0.769172 -0.245849 31O 2py -0.086980 0.191382 -0.070339 -0.111719 -0.224165 -0.257010 31O 3pz 0.356916 0.097087 -0.248904 -0.147446 0.058606 -0.360759 31O 3px -0.235792 0.124299 -0.175021 -0.122840 -0.066793 -0.008229 31O 3py -0.224841 -0.432172 0.218840 0.080886 0.134952 0.272866 31O 1dz2 -0.002278 0.005676 0.003640 -0.003607 -0.003548 -0.001526 31O 1dxz -0.005879 0.004974 0.006396 -0.003051 0.000889 -0.008880 31O 1dyz -0.003480 0.002333 -0.005700 0.000998 -0.001294 -0.005312 31O 1dx2y2 0.005605 -0.010516 -0.011247 -0.002009 0.006099 -0.001119 31O 1dxy 0.004373 -0.000237 -0.001357 0.000722 0.004492 -0.003630 31O 2dz2 -0.071274 0.019290 0.006658 -0.061168 -0.035468 -0.076450 31O 2dxz -0.005262 0.024522 0.036980 -0.053455 -0.112791 0.044046 31O 2dyz -0.004626 -0.000032 -0.047118 0.052002 -0.000622 -0.039016 31O 2dx2y2 0.111625 -0.098213 -0.096717 0.032414 0.106126 -0.001575 31O 2dxy 0.056838 0.027597 -0.012503 0.060416 0.088104 0.048480 31O 1f0 -0.009615 0.000319 -0.000925 0.005132 -0.004451 -0.008415 31O 1f+1 -0.006229 -0.006680 0.004354 0.001538 0.005471 -0.011325 31O 1f-1 -0.007901 -0.000146 0.006647 0.002647 -0.011812 0.005563 31O 1f+2 -0.005792 0.004411 0.002362 0.005982 -0.010764 0.006992 31O 1f-2 0.006688 -0.007895 -0.004801 -0.004174 0.007595 0.003530 31O 1f+3 -0.009259 0.016270 0.003483 0.017912 0.001069 0.001008 31O 1f-3 -0.004258 -0.002957 0.015269 0.004143 -0.000155 -0.009622 32O 1s -0.010837 0.000441 -0.006656 0.013243 -0.006783 -0.017710 32O 2s -0.036210 0.001188 -0.022181 0.043934 -0.022615 -0.059340 32O 3s 0.225936 -0.001892 0.137583 -0.274391 0.144264 0.372796 32O 4s -0.354919 -0.000539 -0.208990 0.408317 -0.194775 -0.548721 32O 5s 0.774231 -0.070547 0.443685 -0.740167 0.245404 1.188997 32O 1pz -0.020945 0.007248 -0.019024 0.036078 -0.016750 -0.044998 32O 1px 0.051198 -0.006211 0.043648 -0.092798 0.078449 0.091328 32O 1py -0.032068 0.002158 -0.009820 0.032455 -0.000943 0.012726 32O 2pz 0.053133 -0.046754 0.061000 -0.093042 0.023761 0.148309 32O 2px -0.165461 0.009091 -0.116985 0.238816 -0.175394 -0.267599 32O 2py 0.129742 -0.013877 0.061175 -0.145584 0.031261 0.089142 32O 3pz -0.045769 -0.079307 -0.008136 0.016543 -0.139229 0.048348 32O 3px 0.142482 -0.031983 0.097065 -0.196787 0.019798 0.188360 32O 3py 0.176698 -0.010020 0.117858 -0.063883 0.116089 0.470422 32O 1dz2 -0.000701 0.002730 -0.001219 0.002135 0.002241 -0.001745 32O 1dxz -0.001385 -0.002510 -0.000106 0.000431 -0.003711 0.002161 32O 1dyz -0.000727 0.000703 -0.001251 -0.001548 -0.001421 -0.002712 32O 1dx2y2 0.001515 -0.000221 0.001114 -0.002691 -0.001477 0.002247 32O 1dxy 0.003474 -0.000017 0.001384 0.000874 0.001028 0.005342 32O 2dz2 0.014456 -0.002567 0.016190 -0.028552 0.014357 0.034048 32O 2dxz 0.023374 -0.007014 0.005307 -0.026453 -0.006374 0.031770 32O 2dyz -0.001143 -0.029436 0.015266 -0.027386 -0.013279 0.023855 32O 2dx2y2 -0.004367 0.003540 -0.005553 0.001894 -0.012563 -0.017840 32O 2dxy -0.036326 0.005146 -0.021100 0.067204 -0.024198 -0.028827 32O 1f0 0.005427 0.000809 0.002336 -0.003822 0.002378 0.012030 32O 1f+1 -0.002224 -0.000793 -0.001813 0.001610 -0.004218 -0.005525 32O 1f-1 0.004367 0.000472 0.001726 0.000491 0.002044 0.015189 32O 1f+2 -0.001405 0.001624 -0.001099 0.003269 0.003454 -0.004827 32O 1f-2 0.003337 0.000490 0.003706 -0.000514 0.000943 0.012221 32O 1f+3 0.002555 -0.000921 0.001002 -0.000999 -0.001623 0.004490 32O 1f-3 0.000682 -0.000571 -0.000960 0.001502 0.001246 -0.004436 33O 1s 0.001414 0.002231 0.004742 -0.001832 -0.015154 0.029355 33O 2s 0.004407 0.005911 0.015057 -0.006597 -0.052421 0.100599 33O 3s -0.058767 -0.060049 -0.106161 0.069253 0.355675 -0.714367 33O 4s 0.285664 0.289359 0.027639 -0.153050 -0.412876 1.157889 33O 5s 0.044048 0.419742 -0.035395 -0.341535 1.288500 -1.751919 33O 1pz -0.019174 -0.101570 -0.001946 -0.022243 -0.099156 0.083848 33O 1px 0.101924 0.068747 0.069270 -0.014190 0.118165 -0.266107 33O 1py 0.027321 0.001831 0.015969 -0.047750 0.083332 -0.030519 33O 2pz 0.149015 0.310285 -0.006491 -0.051386 0.344489 -0.175181 33O 2px -0.278421 -0.240416 -0.064440 0.086440 -0.367295 0.636658 33O 2py -0.026935 0.014139 -0.023128 0.037006 -0.185826 0.043923 33O 3pz -0.296890 -0.124402 0.297769 -0.057832 -0.083702 0.431428 33O 3px -0.098851 -0.294324 0.072644 0.085130 0.041982 -0.054816 33O 3py 0.005780 -0.052613 0.119766 -0.262897 -0.169152 0.115576 33O 1dz2 -0.006750 -0.001830 -0.007194 0.002343 0.001485 0.005761 33O 1dxz -0.000159 -0.008905 -0.002607 0.001004 0.002161 0.003865 33O 1dyz -0.000790 0.003399 -0.001436 -0.001580 0.003283 0.004427 33O 1dx2y2 0.008218 0.008815 0.008063 -0.000412 0.008357 -0.001790 33O 1dxy 0.004198 0.003116 0.004765 -0.003284 -0.005664 -0.006868 33O 2dz2 -0.058592 -0.049942 -0.029994 0.005774 0.048733 0.109834 33O 2dxz -0.000434 -0.021817 -0.052321 0.043298 -0.076674 0.065927 33O 2dyz 0.000726 0.004760 -0.011868 -0.052472 -0.069522 0.040575 33O 2dx2y2 0.039068 0.031986 0.045157 -0.019441 0.021751 -0.120070 33O 2dxy 0.018850 0.078649 0.039262 0.019520 0.090949 0.027486 33O 1f0 -0.000238 0.002992 0.009909 -0.000230 0.005956 0.003910 33O 1f+1 -0.010426 -0.012509 -0.008670 0.014869 0.011593 -0.013663 33O 1f-1 -0.003200 -0.002799 0.001438 -0.007378 0.006400 -0.008087 33O 1f+2 0.001805 0.004294 -0.002420 0.002205 0.005489 0.006605 33O 1f-2 -0.007227 -0.007931 -0.011187 0.009948 -0.013760 -0.004655 33O 1f+3 -0.000133 0.002169 -0.001813 0.002286 0.010104 -0.004775 33O 1f-3 0.002606 -0.009679 -0.003029 0.000436 -0.012411 -0.021151 34O 1s -0.002510 0.006367 -0.008367 0.000003 0.045203 0.019853 34O 2s -0.010187 0.022246 -0.028852 -0.000650 0.157017 0.068967 34O 3s 0.069081 -0.155016 0.271781 0.081935 -1.163587 -0.520017 34O 4s -0.049474 0.309172 -0.821511 -0.645414 2.073242 0.941592 34O 5s 0.682582 -1.043129 -0.167060 -1.118247 -2.620211 -0.703547 34O 1pz 0.028704 -0.194074 -0.079152 -0.165226 -0.002018 0.007902 34O 1px -0.088749 0.110933 0.157829 0.147743 0.281020 0.089468 34O 1py 0.022388 0.104363 0.115636 0.023572 -0.093773 -0.102669 34O 2pz -0.061157 0.385976 0.187140 0.363174 -0.014395 0.042670 34O 2px 0.263448 -0.267567 -0.561776 -0.718134 -0.566138 -0.105411 34O 2py -0.105961 -0.141254 -0.187063 0.060096 0.133380 0.234223 34O 3pz 0.002153 -0.182174 -0.084948 -0.100499 0.183809 0.352816 34O 3px 0.211383 -0.024410 0.001087 0.071634 0.150873 0.236559 34O 3py 0.127841 -0.052203 0.244803 -0.179312 -0.460690 -0.089759 34O 1dz2 -0.002373 0.000077 0.000364 0.003200 -0.000211 0.005093 34O 1dxz -0.006574 0.003139 0.008033 0.003173 0.003319 -0.006216 34O 1dyz -0.003634 -0.000824 -0.001883 -0.001509 0.004008 0.001419 34O 1dx2y2 0.007203 -0.003542 -0.011381 -0.005642 -0.003075 0.002061 34O 1dxy -0.005817 -0.001247 -0.004608 0.002118 0.005411 -0.002604 34O 2dz2 -0.006412 0.014997 -0.010866 0.013827 0.056453 -0.009947 34O 2dxz -0.046586 0.132870 0.060879 0.074934 -0.001341 0.092793 34O 2dyz -0.040538 -0.015649 -0.038307 -0.023109 0.006503 -0.031473 34O 2dx2y2 0.064818 -0.081182 -0.113187 -0.071352 -0.100986 0.027957 34O 2dxy 0.047486 -0.077843 -0.093960 -0.014846 -0.013078 0.087583 34O 1f0 0.006337 0.008615 -0.014345 -0.003275 0.002714 0.002124 34O 1f+1 -0.005469 -0.000821 0.012214 0.014541 -0.009774 -0.006653 34O 1f-1 0.004494 -0.004578 -0.005022 -0.004669 0.006962 -0.004514 34O 1f+2 -0.007575 -0.000157 0.005900 0.009437 0.005523 -0.002042 34O 1f-2 0.009471 0.010332 0.004112 0.009443 0.002537 -0.005375 34O 1f+3 0.014593 -0.013401 -0.000094 0.004000 -0.002519 -0.001931 34O 1f-3 0.024927 -0.018441 -0.005512 -0.007733 0.010189 0.005408 35O 1s -0.004972 -0.002771 0.015880 -0.023125 0.027143 -0.024978 35O 2s -0.017520 -0.010603 0.055368 -0.081118 0.094260 -0.086685 35O 3s 0.127363 0.078614 -0.493449 0.661824 -0.685738 0.597542 35O 4s -0.278516 -0.181522 1.380380 -1.567211 1.148258 -0.686494 35O 5s 0.562970 1.163028 0.182018 0.454204 -1.756957 2.325671 35O 1pz 0.083257 0.110088 0.147606 -0.070655 0.059936 -0.014799 35O 1px -0.118176 -0.126202 -0.154895 0.012499 0.206376 -0.234050 35O 1py 0.103367 0.032474 0.028907 -0.097005 0.023032 -0.124705 35O 2pz -0.108032 -0.183494 -0.268852 0.063698 -0.141863 0.063394 35O 2px 0.257302 0.293813 0.694870 -0.358617 -0.491708 0.747654 35O 2py -0.203275 -0.048305 0.116300 0.080687 0.001842 0.406496 35O 3pz -0.100225 0.201055 0.068261 -0.035462 0.218430 -0.575410 35O 3px -0.246158 0.240060 -0.102174 0.121703 0.006675 -0.267027 35O 3py 0.054395 0.276630 0.062410 0.018415 0.312138 -0.311501 35O 1dz2 0.000043 -0.008107 -0.006302 0.002159 -0.003778 -0.003494 35O 1dxz 0.001313 0.003127 -0.004336 -0.001422 0.002698 0.008401 35O 1dyz -0.000067 0.003528 -0.005242 0.002518 0.002144 0.003773 35O 1dx2y2 0.001227 0.007380 0.008074 -0.000054 -0.002507 0.001992 35O 1dxy -0.002242 0.001132 0.001535 0.000402 -0.009379 0.002013 35O 2dz2 -0.017307 -0.065935 -0.069050 0.012975 0.028499 -0.041680 35O 2dxz -0.059204 -0.092630 -0.111770 -0.005200 -0.049945 -0.044758 35O 2dyz -0.038340 -0.004105 -0.090968 0.008446 -0.003482 -0.036920 35O 2dx2y2 0.088126 0.068442 0.071389 -0.027874 -0.155134 0.038930 35O 2dxy -0.042210 0.011633 -0.005614 0.059054 0.051809 0.049432 35O 1f0 -0.012469 -0.018559 -0.000401 0.004680 -0.012114 -0.007961 35O 1f+1 0.004127 0.007988 -0.002977 0.003319 0.000892 -0.005353 35O 1f-1 0.006737 0.014742 -0.006330 -0.000861 -0.001824 0.006576 35O 1f+2 0.005622 0.015378 -0.007232 -0.001438 0.002248 0.001604 35O 1f-2 0.019452 0.015666 0.006747 -0.011619 0.000789 0.004965 35O 1f+3 0.000935 -0.007226 -0.010386 0.015204 -0.004631 0.004888 35O 1f-3 0.001772 -0.000209 -0.020491 0.014906 -0.002338 -0.004740 510 511 512 513 514 515 3.20030 3.21286 3.22280 3.24699 3.25390 3.25671 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s -0.000489 -0.000272 0.000170 0.000081 0.000235 -0.000167 0Rh 2s 0.003083 0.004883 -0.001344 -0.001349 -0.002247 -0.002004 0Rh 3s -0.001036 0.001343 0.000195 -0.000332 0.000036 -0.002223 0Rh 4s -0.016472 -0.025903 0.007193 0.007267 0.012104 0.009416 0Rh 5s 0.030035 0.062621 -0.014744 -0.018741 -0.027563 -0.017276 0Rh 6s -0.004765 -0.081353 0.010414 0.031496 0.033300 -0.022988 0Rh 7s -0.127159 0.081550 -0.008574 -0.190317 -0.180362 0.840528 0Rh 8s 0.011696 -0.134048 0.001092 0.023468 -0.015673 -0.133454 0Rh 1pz 0.003089 -0.000349 0.000233 -0.003100 0.001886 0.010043 0Rh 1px -0.001357 0.000403 0.000169 -0.001362 -0.001898 0.002317 0Rh 1py 0.000715 -0.001407 -0.001011 -0.004111 0.010794 -0.002786 0Rh 2pz -0.011656 0.001659 -0.001018 0.012046 -0.007091 -0.038062 0Rh 2px 0.005082 -0.001397 -0.000643 0.005046 0.006959 -0.007957 0Rh 2py -0.002571 0.005168 0.003414 0.015560 -0.040750 0.010581 0Rh 3pz 0.021152 -0.009309 0.004694 -0.029062 0.011963 0.070695 0Rh 3px -0.008066 -0.000037 0.001264 -0.006942 -0.007876 -0.003200 0Rh 3py 0.003428 -0.006153 0.002289 -0.028184 0.072661 -0.020480 0Rh 4pz -0.000089 0.021842 -0.011770 0.031196 0.005676 0.000222 0Rh 4px -0.007167 0.011848 -0.000253 -0.011083 -0.023145 0.082758 0Rh 4py -0.002341 -0.015325 -0.036385 -0.005232 0.012268 0.005511 0Rh 5pz -0.021431 -0.025663 0.016571 -0.036644 -0.026002 -0.050645 0Rh 5px 0.030799 -0.040406 -0.001478 0.039795 0.065190 -0.209918 0Rh 5py 0.004853 0.038308 0.066699 0.041589 -0.086542 -0.001432 0Rh 6pz 0.622216 -0.023597 0.087147 -0.615586 -0.014502 -0.470397 0Rh 6px -0.029346 0.594278 0.012855 -0.427399 -0.222344 0.875230 0Rh 6py 0.897005 -0.181405 0.191181 0.228286 0.088339 -0.161762 0Rh 1dz2 0.004738 0.015088 0.003963 0.022803 0.007844 0.000885 0Rh 1dxz -0.005486 -0.022111 0.006041 0.004230 -0.000521 -0.011082 0Rh 1dyz 0.002577 -0.004771 -0.010092 -0.005335 0.004916 -0.002680 0Rh 1dx2y2 0.011225 -0.016896 -0.005869 0.012491 0.006979 0.007625 0Rh 1dxy -0.029034 -0.004775 0.014023 0.007695 -0.001691 0.001663 0Rh 2dz2 0.000488 0.000193 0.004039 0.003455 0.002680 0.002514 0Rh 2dxz -0.000350 -0.002388 0.000309 0.000354 -0.000326 0.000954 0Rh 2dyz -0.000612 -0.001267 0.007463 0.000114 0.004926 0.000887 0Rh 2dx2y2 0.000833 -0.000749 0.000951 0.001739 0.002023 -0.002886 0Rh 2dxy -0.002236 -0.000314 0.005518 0.001731 0.001655 -0.001065 0Rh 3dz2 -0.017380 -0.049725 -0.031337 -0.089816 -0.037829 -0.014225 0Rh 3dxz 0.019371 0.082594 -0.021002 -0.015443 0.003120 0.031860 0Rh 3dyz -0.005356 0.021313 -0.001505 0.017540 -0.038478 0.004614 0Rh 3dx2y2 -0.040090 0.058154 0.014614 -0.048523 -0.031916 -0.011965 0Rh 3dxy 0.104170 0.016957 -0.070749 -0.032573 -0.002143 -0.000697 0Rh 4dz2 0.011197 0.028604 0.064087 0.086552 0.053244 0.035038 0Rh 4dxz -0.014807 -0.073363 0.014845 0.012665 -0.004604 -0.007584 0Rh 4dyz -0.010964 -0.028720 0.088586 -0.018997 0.080521 0.009317 0Rh 4dx2y2 0.031309 -0.040854 0.003852 0.045414 0.040835 -0.022260 0Rh 4dxy -0.084056 -0.013917 0.103451 0.031989 0.023518 -0.009612 0Rh 5dz2 0.079794 0.072304 -0.045175 0.032946 -0.061678 -0.034112 0Rh 5dxz -0.017722 0.005858 0.012641 0.014824 -0.004202 -0.024211 0Rh 5dyz 0.179690 0.062803 -0.128390 0.138745 -0.149865 -0.051025 0Rh 5dx2y2 0.026857 -0.048946 -0.039715 0.035474 -0.027732 0.024900 0Rh 5dxy -0.013001 0.004163 -0.071860 0.058299 -0.086494 -0.003375 0Rh 1f0 0.001854 0.004044 0.009037 0.013337 -0.030802 -0.000229 0Rh 1f+1 -0.006423 -0.015467 0.008451 -0.002654 -0.009397 -0.016222 0Rh 1f-1 -0.006008 0.008672 0.012547 0.026016 -0.053269 -0.030504 0Rh 1f+2 0.020093 -0.005506 -0.011705 -0.005986 -0.005363 0.066918 0Rh 1f-2 -0.011070 0.005519 0.016558 0.004813 -0.039997 0.027549 0Rh 1f+3 0.005513 -0.020854 -0.006601 -0.004012 0.028574 -0.019115 0Rh 1f-3 -0.004711 0.001808 0.010490 0.020678 -0.040041 0.015215 1Rh 1s -0.000844 0.000305 -0.000214 0.000080 0.000233 -0.000164 1Rh 2s 0.005799 -0.005029 0.001672 -0.001303 -0.002256 -0.002057 1Rh 3s -0.001497 -0.001238 -0.000257 -0.000314 0.000021 -0.002239 1Rh 4s -0.030973 0.026685 -0.008952 0.007022 0.012150 0.009697 1Rh 5s 0.059045 -0.063722 0.018288 -0.018075 -0.027725 -0.017962 1Rh 6s -0.021796 0.079865 -0.012690 0.030351 0.033686 -0.022090 1Rh 7s -0.145267 -0.061147 0.008808 -0.189090 -0.181904 0.835109 1Rh 8s 0.092635 0.129006 0.002905 0.012194 -0.014570 -0.123043 1Rh 1pz 0.000315 -0.000048 0.000185 0.003063 -0.001900 -0.010030 1Rh 1px 0.002054 0.000298 0.000188 0.001301 0.001893 -0.002284 1Rh 1py -0.002522 -0.001308 -0.000851 0.004127 -0.010824 0.002779 1Rh 2pz -0.001132 0.000532 -0.000833 -0.011908 0.007143 0.038032 1Rh 2px -0.007809 -0.001012 -0.000722 -0.004823 -0.006944 0.007839 1Rh 2py 0.009942 0.004789 0.002810 -0.015614 0.040866 -0.010564 1Rh 3pz 0.000546 -0.007489 0.004250 0.028817 -0.012057 -0.071074 1Rh 3px 0.014699 -0.000500 0.001531 0.006631 0.007869 0.003247 1Rh 3py -0.026516 -0.005262 0.003398 0.028134 -0.072907 0.020590 1Rh 4pz 0.008033 0.022924 -0.011286 -0.031124 -0.005658 0.001775 1Rh 4px 0.002392 0.010523 -0.000693 0.010608 0.023065 -0.082108 1Rh 4py 0.034188 -0.016325 -0.036289 0.005979 -0.012144 -0.006166 1Rh 5pz -0.015627 -0.029825 0.016079 0.036480 0.025808 0.046405 1Rh 5px -0.036611 -0.035770 -0.001179 -0.038280 -0.065041 0.209846 1Rh 5py -0.047376 0.039781 0.065627 -0.043345 0.086505 0.002895 1Rh 6pz -0.097378 0.002963 0.069585 0.605817 0.017695 0.473214 1Rh 6px 0.371454 0.573715 0.012827 0.415289 0.221656 -0.921151 1Rh 6py -0.343670 -0.155490 0.179897 -0.227344 -0.089656 0.158794 1Rh 1dz2 -0.000280 -0.014752 -0.004280 0.022728 0.007583 0.000880 1Rh 1dxz -0.002716 0.022504 -0.006121 0.003733 -0.000778 -0.010310 1Rh 1dyz -0.005354 0.004707 0.010017 -0.005516 0.005257 -0.002428 1Rh 1dx2y2 -0.004014 0.016788 0.005787 0.012496 0.006812 0.007188 1Rh 1dxy 0.024804 0.005007 -0.014004 0.007347 -0.001595 0.001408 1Rh 2dz2 0.000075 -0.000149 -0.004111 0.003358 0.002626 0.002508 1Rh 2dxz -0.000063 0.002414 -0.000295 0.000316 -0.000356 0.001051 1Rh 2dyz -0.000221 0.001282 -0.007554 -0.000149 0.004915 0.000973 1Rh 2dx2y2 -0.000454 0.000746 -0.000999 0.001669 0.001967 -0.002891 1Rh 2dxy 0.001472 0.000361 -0.005559 0.001625 0.001635 -0.001068 1Rh 3dz2 0.000534 0.048437 0.032697 -0.089128 -0.036737 -0.014184 1Rh 3dxz 0.009142 -0.083988 0.021200 -0.013656 0.004093 0.028898 1Rh 3dyz 0.018212 -0.021164 0.002166 0.019345 -0.039545 0.003390 1Rh 3dx2y2 0.014948 -0.057787 -0.014139 -0.048214 -0.031114 -0.010515 1Rh 3dxy -0.087081 -0.017918 0.070877 -0.030943 -0.002367 0.000147 1Rh 4dz2 0.002272 -0.027433 -0.065722 0.084930 0.052109 0.035022 1Rh 4dxz -0.006850 0.074457 -0.014872 0.011293 -0.005451 -0.004759 1Rh 4dyz -0.007420 0.028613 -0.090053 -0.023468 0.081215 0.011125 1Rh 4dx2y2 -0.011316 0.040544 -0.004541 0.044264 0.039719 -0.023173 1Rh 4dxy 0.067268 0.014846 -0.104007 0.029613 0.023466 -0.010114 1Rh 5dz2 -0.051909 -0.071300 0.046934 0.037269 -0.063899 -0.034011 1Rh 5dxz -0.003219 -0.004943 -0.012649 0.013203 -0.004864 -0.023856 1Rh 5dyz -0.140938 -0.059974 0.131103 0.152389 -0.154541 -0.053958 1Rh 5dx2y2 -0.026586 0.049420 0.039346 0.040148 -0.026888 0.022150 1Rh 5dxy -0.019150 -0.002151 0.072814 0.063293 -0.087479 -0.004841 1Rh 1f0 0.016637 0.003489 0.008820 -0.013582 0.031123 0.000337 1Rh 1f+1 -0.008525 -0.015738 0.008213 0.003315 0.009234 0.015977 1Rh 1f-1 0.014788 0.007053 0.012029 -0.026359 0.053768 0.030346 1Rh 1f+2 0.004051 -0.003822 -0.012354 0.005548 0.005132 -0.065986 1Rh 1f-2 -0.000640 0.005559 0.016007 -0.004311 0.039603 -0.027478 1Rh 1f+3 -0.007822 -0.020944 -0.006563 0.004394 -0.028320 0.019051 1Rh 1f-3 -0.007515 0.001501 0.009943 -0.021186 0.040062 -0.014815 2C 1s 0.018455 0.024183 -0.011680 0.007384 -0.006680 -0.003488 2C 2s 0.054065 0.070649 -0.036273 0.020118 -0.021033 -0.011813 2C 3s 0.233849 0.381885 0.089345 0.365138 0.327921 0.349849 2C 4s -2.941702 -4.385699 1.021174 -2.861356 -0.987233 -1.563572 2C 5s -0.539148 -1.440415 0.548441 -2.195129 -0.794908 1.656902 2C 1pz 0.035460 0.062906 0.100970 0.078263 0.138252 0.122212 2C 1px -0.001491 0.043853 -0.099241 0.049283 -0.047395 -0.069841 2C 1py 0.015284 0.036066 0.013847 0.061254 0.057103 0.049719 2C 2pz -1.190543 -1.642356 0.048306 -1.153845 -0.973443 -1.309360 2C 2px 0.001801 -0.258933 0.773580 -0.197487 0.552886 0.484859 2C 2py -0.563698 -1.364824 0.389291 -1.287034 -0.396865 -0.761475 2C 3pz -0.414164 -0.796246 0.264188 -0.727608 -0.287297 0.238834 2C 3px -0.190966 -0.232115 0.002497 -0.152736 0.166904 0.274030 2C 3py -0.300371 -0.406417 0.192691 -0.466801 -0.149975 0.219973 2C 1dz2 0.065171 0.204114 -0.012005 0.093324 0.093128 0.067456 2C 1dxz 0.009628 -0.021966 0.077173 -0.046722 0.002806 0.037317 2C 1dyz 0.157757 0.170984 -0.092051 0.087713 -0.003964 0.012970 2C 1dx2y2 -0.071897 -0.040709 0.020090 -0.045419 -0.080861 -0.081416 2C 1dxy -0.015835 0.064794 0.070813 0.002409 -0.004323 0.017209 2C 2dz2 -0.403153 -0.562807 -0.141838 -0.265664 -0.447972 -0.558317 2C 2dxz -0.017011 -0.251039 0.364076 -0.325035 0.214118 0.132647 2C 2dyz -0.541963 -0.876089 0.279840 -0.571034 -0.227159 -0.486510 2C 2dx2y2 0.187457 0.222659 0.050662 0.255570 0.293256 0.360548 2C 2dxy -0.110891 -0.156880 0.222335 -0.006627 0.178571 0.170691 2C 1f0 -0.020946 -0.102290 -0.047254 -0.064058 -0.055523 -0.062544 2C 1f+1 -0.021521 -0.190479 0.051586 -0.207950 0.011872 -0.026702 2C 1f-1 -0.161322 -0.271824 0.125224 -0.088354 -0.019173 -0.156564 2C 1f+2 0.160352 0.114024 -0.031513 0.094670 -0.036827 -0.031543 2C 1f-2 -0.038370 -0.027661 0.063058 0.031472 0.003792 0.008034 2C 1f+3 -0.069914 -0.027175 0.030441 -0.000955 0.001937 -0.026589 2C 1f-3 -0.074123 -0.050064 0.044388 0.059327 -0.117321 -0.140078 3C 1s -0.020616 0.018708 0.009393 -0.007626 0.003543 0.001757 3C 2s -0.059679 0.055589 0.028620 -0.021183 0.012070 0.003839 3C 3s -0.435238 0.157173 0.000276 -0.410625 -0.435157 0.328441 3C 4s 4.301328 -2.764791 -1.177326 3.249457 1.906090 -2.063290 3C 5s 0.865940 -0.420878 -0.746922 1.989008 0.735891 1.220373 3C 1pz -0.032144 -0.014655 -0.044113 -0.023652 -0.100135 0.063536 3C 1px 0.003527 0.030004 0.099460 -0.107783 0.027468 -0.042135 3C 1py 0.104720 0.005155 0.050104 0.079196 0.150338 -0.092611 3C 2pz 1.281123 -0.523760 -0.215887 1.209525 1.098812 -0.948289 3C 2px 0.426403 -0.521895 -0.945128 1.101280 -0.176116 0.133476 3C 2py -1.783802 0.993678 0.214260 -1.341318 -1.227737 1.361516 3C 3pz 0.170089 -0.185483 -0.161514 0.451245 0.246245 -0.004112 3C 3px 0.284902 -0.150034 -0.059896 0.282415 -0.097152 0.204590 3C 3py -0.648949 0.428137 0.328338 -0.676540 -0.324299 -0.138592 3C 1dz2 0.191899 0.068387 0.028206 0.010440 0.030821 -0.010331 3C 1dxz -0.048460 0.048761 -0.045762 0.008151 -0.086561 0.087462 3C 1dyz 0.157925 -0.155555 -0.089681 0.142461 0.052402 -0.048517 3C 1dx2y2 0.080299 -0.073705 -0.023474 0.050737 0.094094 -0.098106 3C 1dxy 0.071223 -0.020994 0.008659 0.010412 -0.016035 0.032110 3C 2dz2 -0.244796 0.117873 0.040719 -0.009067 0.071891 0.015673 3C 2dxz 0.259230 -0.191595 -0.054982 0.272759 0.194333 -0.262241 3C 2dyz -0.799413 0.510599 0.110615 -0.483346 -0.550136 0.564429 3C 2dx2y2 -0.596018 0.231743 -0.049535 -0.355853 -0.584319 0.599994 3C 2dxy -0.346408 0.332018 0.539862 -0.706301 0.093389 -0.019563 3C 1f0 -0.102487 0.115861 0.041234 -0.003844 -0.061786 0.153044 3C 1f+1 -0.012150 -0.024527 -0.018909 -0.107500 0.123696 -0.165560 3C 1f-1 0.017483 0.111441 0.004947 0.001943 0.026096 0.012457 3C 1f+2 -0.119596 0.116337 0.049980 -0.025966 -0.046886 0.083847 3C 1f-2 -0.120051 0.137223 0.025952 -0.150843 0.066173 -0.037867 3C 1f+3 0.221638 -0.110865 -0.151723 0.186602 0.106841 -0.138551 3C 1f-3 -0.197743 0.061005 -0.005022 -0.150487 -0.084770 0.070003 4C 1s -0.003182 -0.001104 0.003000 0.009196 0.007167 -0.003084 4C 2s -0.009041 -0.003605 0.010320 0.027756 0.021763 -0.007392 4C 3s -0.317193 -0.369484 -0.084804 -0.342006 -0.320264 -0.161416 4C 4s 1.920133 2.201682 -0.200882 1.540521 1.122649 1.312082 4C 5s 1.216921 1.211818 -0.753657 0.226640 -0.518895 -0.767175 4C 1pz 0.113529 0.178212 -0.041027 0.071956 0.016128 0.096338 4C 1px -0.021937 -0.006274 0.027394 0.029338 -0.005629 -0.000975 4C 1py 0.088797 0.080241 -0.017068 0.032670 -0.004001 0.031067 4C 2pz -1.493912 -2.418224 0.113799 -1.576628 -1.084609 -1.756668 4C 2px 0.177933 -0.253490 1.185164 -0.534502 0.728677 0.791128 4C 2py -0.871630 -1.532986 0.473973 -1.134967 -0.324938 -0.650654 4C 3pz -0.466842 -1.252245 0.388774 -2.264234 -0.823851 1.353091 4C 3px 0.169591 -0.053677 0.393112 -0.195752 -0.553926 -0.090628 4C 3py -0.270745 -0.915635 0.304344 -1.414414 -0.699934 0.772825 4C 1dz2 -0.028837 -0.170122 0.200998 -0.198170 0.072057 -0.004875 4C 1dxz -0.119581 -0.075155 -0.153722 -0.001597 -0.223148 -0.245583 4C 1dyz -0.110854 -0.104526 0.056301 0.011468 0.002601 -0.045439 4C 1dx2y2 -0.008010 0.086610 -0.075531 0.150803 0.003834 0.025870 4C 1dxy -0.063245 -0.085386 -0.166321 -0.017735 -0.130071 -0.158646 4C 2dz2 0.301018 0.810609 -1.173066 0.933465 -0.581471 -0.439426 4C 2dxz 0.564732 0.641358 0.874329 0.355071 1.107858 1.379466 4C 2dyz 0.626824 1.009670 -0.488696 0.557865 -0.030507 0.321160 4C 2dx2y2 -0.198936 -0.515127 0.472744 -0.648859 0.011946 0.025552 4C 2dxy 0.530164 0.098685 1.049844 -0.408430 0.926629 1.011211 4C 1f0 0.057238 -0.082798 0.012028 -0.075922 0.063341 -0.019934 4C 1f+1 -0.054414 0.013356 -0.054401 0.085479 -0.026279 -0.016040 4C 1f-1 -0.283590 -0.359115 0.142815 -0.116566 -0.064684 -0.088598 4C 1f+2 0.079370 0.060676 -0.018073 -0.023838 -0.148815 -0.113319 4C 1f-2 -0.045292 -0.096737 0.050527 -0.045460 0.014054 0.003299 4C 1f+3 -0.046261 -0.179987 0.028667 -0.132925 -0.077025 -0.131329 4C 1f-3 -0.014063 0.090068 -0.047408 0.239657 -0.074516 -0.118754 5C 1s 0.001151 -0.003882 -0.001777 -0.007812 -0.006347 -0.002967 5C 2s 0.002990 -0.011816 -0.005977 -0.023831 -0.019550 -0.007275 5C 3s 0.445669 -0.250268 0.009125 0.344266 0.379033 -0.143846 5C 4s -2.467103 1.772993 0.380653 -1.700488 -1.521728 1.369098 5C 5s -0.901324 1.275398 0.784903 -0.190009 0.496565 -0.487854 5C 1pz -0.094744 0.081940 0.016437 -0.033614 -0.016012 0.063025 5C 1px -0.025971 0.018183 -0.021970 -0.017064 0.024844 -0.017682 5C 1py 0.169659 -0.089518 -0.055531 0.086630 0.058358 -0.107775 5C 2pz 1.601585 -0.708639 0.014785 0.917568 1.081328 -1.180239 5C 2px 0.285630 -0.634062 -1.197537 1.442492 -0.550132 0.407584 5C 2py -2.398550 1.228036 0.466133 -1.819800 -1.591149 1.740925 5C 3pz 0.728886 -0.219499 -0.260048 1.215375 0.469954 0.547202 5C 3px -0.060672 -0.194644 -0.475386 0.585401 0.557397 0.175016 5C 3py -0.801656 0.282726 0.455247 -2.079515 -0.843741 -0.869354 5C 1dz2 -0.114109 0.054360 -0.023321 0.009610 -0.119232 0.028361 5C 1dxz 0.087409 -0.012962 0.041869 0.069164 0.129482 -0.101797 5C 1dyz -0.097417 0.098281 0.120394 -0.094113 0.071859 -0.000804 5C 1dx2y2 -0.083650 0.127350 0.198371 -0.277402 -0.008655 0.058225 5C 1dxy -0.142790 0.054654 -0.164379 0.087363 -0.194295 0.210365 5C 2dz2 0.308126 -0.124425 0.467897 -0.400265 0.513698 -0.410888 5C 2dxz -0.635758 0.162073 -0.424376 -0.070099 -0.737470 0.840544 5C 2dyz 0.619088 -0.715659 -0.799503 0.838277 -0.328258 0.009978 5C 2dx2y2 0.572533 -0.769521 -1.253063 1.726320 -0.341595 0.071456 5C 2dxy 1.159110 -0.267552 0.709980 -0.133497 1.311227 -1.253863 5C 1f0 -0.329449 0.174143 0.135762 -0.216103 -0.187924 0.159237 5C 1f+1 -0.061208 0.033586 0.036027 -0.244053 0.058183 -0.071488 5C 1f-1 -0.005580 0.060356 -0.030705 0.061179 0.021993 0.030925 5C 1f+2 -0.127940 0.163688 0.081095 -0.061022 0.040991 0.013966 5C 1f-2 -0.106310 0.124914 0.024293 -0.055685 0.113128 -0.115448 5C 1f+3 0.096513 -0.095893 0.017420 -0.070730 0.098689 -0.139420 5C 1f-3 -0.080700 0.016705 0.011953 0.007929 0.017756 -0.043736 6C 1s -0.001405 0.003709 0.001917 -0.007881 -0.006350 -0.002938 6C 2s -0.004025 0.011311 0.006415 -0.024033 -0.019541 -0.007173 6C 3s -0.326557 0.250674 -0.013393 0.349834 0.379568 -0.148336 6C 4s 2.019928 -1.777982 -0.361431 -1.719801 -1.523988 1.369842 6C 5s 0.922712 -1.279101 -0.798785 -0.179030 0.492772 -0.513252 6C 1pz -0.106996 0.083071 0.015008 0.033804 0.015068 -0.061128 6C 1px -0.048831 0.018261 -0.022040 0.015627 -0.024794 0.015927 6C 1py 0.182871 -0.091159 -0.053328 -0.087942 -0.057721 0.105847 6C 2pz 1.748337 -0.724731 0.041659 -0.935357 -1.067015 1.167541 6C 2px 0.111308 -0.634986 -1.194006 -1.421853 0.519638 -0.410292 6C 2py -2.564995 1.253753 0.425478 1.841451 1.582319 -1.720614 6C 3pz 0.813357 -0.236426 -0.246942 -1.225726 -0.466383 -0.555829 6C 3px 0.022996 -0.209074 -0.462086 -0.581403 -0.572603 -0.165007 6C 3py -1.083169 0.320063 0.432708 2.089233 0.841646 0.889474 6C 1dz2 0.081514 -0.052288 0.023022 0.006603 -0.120176 0.031462 6C 1dxz -0.159225 0.016127 -0.045503 0.071981 0.128796 -0.102078 6C 1dyz 0.053968 -0.096996 -0.120934 -0.092590 0.070726 -0.003737 6C 1dx2y2 0.075369 -0.129176 -0.196621 -0.277114 -0.011640 0.053230 6C 1dxy 0.156373 -0.055305 0.165911 0.086087 -0.189690 0.212746 6C 2dz2 -0.359374 0.122066 -0.468818 -0.390522 0.502049 -0.420193 6C 2dxz 0.950524 -0.180869 0.438081 -0.081638 -0.713041 0.829099 6C 2dyz -0.421501 0.713155 0.800747 0.830604 -0.316452 0.023969 6C 2dx2y2 -0.520028 0.782859 1.243651 1.713226 -0.325016 0.105604 6C 2dxy -1.265117 0.275577 -0.726694 -0.110578 1.285669 -1.252799 6C 1f0 -0.305621 0.177029 0.132541 0.221696 0.188535 -0.155272 6C 1f+1 -0.106597 0.036736 0.034523 0.242181 -0.058678 0.073859 6C 1f-1 -0.052334 0.060881 -0.031536 -0.061761 -0.024368 -0.030011 6C 1f+2 -0.158684 0.164541 0.081534 0.060192 -0.040569 -0.013591 6C 1f-2 -0.051555 0.121169 0.026410 0.053589 -0.110087 0.113001 6C 1f+3 0.162472 -0.098142 0.018219 0.068420 -0.095742 0.139785 6C 1f-3 -0.024293 0.012673 0.013571 -0.006221 -0.016778 0.041749 7C 1s 0.001544 0.001262 -0.003216 0.009117 0.007131 -0.003067 7C 2s 0.003274 0.004140 -0.010989 0.027524 0.021620 -0.007369 7C 3s 0.462993 0.358708 0.094587 -0.351140 -0.315412 -0.162173 7C 4s -2.312466 -2.159230 0.170095 1.590496 1.104291 1.304004 7C 5s -0.898996 -1.219639 0.772599 0.269656 -0.522205 -0.792819 7C 1pz 0.082900 0.177166 -0.040781 -0.075312 -0.014561 -0.092664 7C 1px 0.007103 -0.008752 0.027447 -0.026462 0.004612 -0.001736 7C 1py 0.074788 0.080594 -0.017930 -0.033688 0.004515 -0.031079 7C 2pz -1.547369 -2.384155 0.091231 1.610819 1.055918 1.726538 7C 2px 0.773219 -0.236434 1.199898 0.515086 -0.692857 -0.778024 7C 2py -0.669389 -1.517132 0.471853 1.156069 0.325306 0.647817 7C 3pz -0.086810 -1.240435 0.376302 2.290661 0.814904 -1.368238 7C 3px 0.444155 -0.059031 0.386717 0.171553 0.572440 0.121626 7C 3py -0.000600 -0.912240 0.298227 1.433770 0.701512 -0.777862 7C 1dz2 -0.025640 0.163183 -0.200545 -0.201022 0.068990 -0.002421 7C 1dxz 0.163545 0.076765 0.156739 -0.001290 -0.218562 -0.248440 7C 1dyz 0.123515 0.104817 -0.057400 0.009551 0.003212 -0.044128 7C 1dx2y2 0.083275 -0.088116 0.076773 0.151963 0.005465 0.025497 7C 1dxy 0.113874 0.083781 0.170681 -0.017597 -0.128357 -0.163555 7C 2dz2 0.158120 -0.784349 1.181399 0.936566 -0.563619 -0.455838 7C 2dxz -0.989726 -0.635847 -0.896804 0.364976 1.075961 1.373371 7C 2dyz -0.592311 -0.998086 0.490771 0.578432 -0.030689 0.310005 7C 2dx2y2 -0.067777 0.515031 -0.481632 -0.653401 0.012970 0.043692 7C 2dxy -0.972040 -0.107581 -1.063487 -0.400967 0.894036 1.013577 7C 1f0 0.015424 -0.074642 0.008763 0.076152 -0.060766 0.021752 7C 1f+1 -0.041910 0.013273 -0.053890 -0.085249 0.025206 0.017573 7C 1f-1 -0.203830 -0.361087 0.144309 0.126263 0.061698 0.085380 7C 1f+2 0.076272 0.061289 -0.021777 0.022726 0.146092 0.107759 7C 1f-2 -0.009417 -0.096282 0.051067 0.045262 -0.012131 -0.002470 7C 1f+3 -0.061977 -0.178597 0.026806 0.138298 0.077434 0.132206 7C 1f-3 -0.090024 0.082904 -0.048599 -0.235377 0.071723 0.116605 8C 1s 0.023306 -0.018873 -0.009411 -0.007747 0.003588 0.001506 8C 2s 0.067270 -0.056034 -0.028734 -0.021518 0.012178 0.003091 8C 3s 0.405690 -0.160056 0.009090 -0.415925 -0.434485 0.329992 8C 4s -4.354637 2.798865 1.128147 3.281539 1.898516 -2.030846 8C 5s -1.144015 0.456487 0.728921 1.994425 0.739426 1.241368 8C 1pz -0.040906 -0.014206 -0.045727 0.024749 0.099401 -0.064301 8C 1px 0.014191 0.030449 0.098904 0.107311 -0.024481 0.041959 8C 1py 0.095963 0.004562 0.052860 -0.081246 -0.149532 0.094299 8C 2pz 1.303110 -0.538039 -0.193333 -1.222496 -1.093935 0.935647 8C 2px 0.208005 -0.519056 -0.938329 -1.091908 0.155035 -0.141759 8C 2py -1.761311 1.007911 0.186446 1.353898 1.220526 -1.349853 8C 3pz 0.290868 -0.197106 -0.155024 -0.451015 -0.246339 -0.002215 8C 3px 0.324309 -0.152603 -0.061972 -0.283604 0.100720 -0.210770 8C 3py -0.691846 0.437593 0.320315 0.681936 0.326755 0.143516 8C 1dz2 -0.108637 -0.071735 -0.026501 0.015307 0.028579 -0.013383 8C 1dxz 0.075197 -0.049741 0.046826 0.007275 -0.084890 0.086019 8C 1dyz -0.173126 0.157527 0.088527 0.143922 0.053217 -0.046597 8C 1dx2y2 -0.133003 0.078021 0.021512 0.053066 0.094839 -0.099052 8C 1dxy -0.045902 0.017365 -0.008937 0.009692 -0.015361 0.029604 8C 2dz2 0.147084 -0.114213 -0.045279 -0.012263 0.074323 0.016154 8C 2dxz -0.295426 0.199103 0.050803 0.272046 0.189608 -0.253401 8C 2dyz 0.764208 -0.512763 -0.102628 -0.491814 -0.549179 0.562536 8C 2dx2y2 0.682342 -0.241190 0.063896 -0.361023 -0.579430 0.597509 8C 2dxy 0.272509 -0.331382 -0.534916 -0.703422 0.081528 -0.025038 8C 1f0 -0.110506 0.116334 0.040496 0.006431 0.058563 -0.149425 8C 1f+1 0.025778 -0.027132 -0.016798 0.106519 -0.120304 0.163067 8C 1f-1 0.006141 0.111014 0.004164 -0.003135 -0.025882 -0.010740 8C 1f+2 -0.118372 0.116697 0.050381 0.025820 0.048356 -0.085152 8C 1f-2 -0.141043 0.137666 0.025779 0.147507 -0.064612 0.037922 8C 1f+3 0.185758 -0.111361 -0.149009 -0.190391 -0.107921 0.134637 8C 1f-3 -0.197127 0.062322 -0.007239 0.152624 0.083288 -0.068709 9C 1s -0.010999 -0.024342 0.012048 0.008032 -0.006775 -0.003747 9C 2s -0.031327 -0.071176 0.037414 0.022021 -0.021259 -0.012537 9C 3s -0.319343 -0.371621 -0.098755 0.370081 0.323048 0.348680 9C 4s 2.625721 4.339490 -1.008217 -2.942668 -0.958463 -1.524882 9C 5s 0.135478 1.430872 -0.542470 -2.230300 -0.788941 1.677296 9C 1pz 0.093691 0.059893 0.104171 -0.078525 -0.135212 -0.122127 9C 1px -0.039210 0.043084 -0.099716 -0.050138 0.045044 0.069568 9C 1py 0.028503 0.035170 0.016295 -0.062747 -0.057630 -0.050229 9C 2pz -1.356181 -1.613851 0.031879 1.175545 0.951721 1.290419 9C 2px 0.216058 -0.244635 0.776888 0.192645 -0.532634 -0.486337 9C 2py -0.555820 -1.331641 0.370785 1.301109 0.398754 0.755272 9C 3pz -0.221403 -0.791194 0.263145 0.741942 0.285506 -0.241819 9C 3px -0.247981 -0.226836 0.003263 0.163505 -0.173197 -0.279938 9C 3py -0.154780 -0.410703 0.192950 0.478110 0.148287 -0.227659 9C 1dz2 -0.020859 -0.205490 0.014596 0.100074 0.090861 0.064719 9C 1dxz -0.061316 0.023911 -0.078835 -0.047280 0.003496 0.039088 9C 1dyz -0.117303 -0.170873 0.090838 0.090750 -0.002681 0.015350 9C 1dx2y2 0.026008 0.047469 -0.019009 -0.046951 -0.079694 -0.081472 9C 1dxy -0.056446 -0.058080 -0.070633 0.000903 -0.008658 0.015003 9C 2dz2 0.469935 0.555227 0.145102 -0.271285 -0.434936 -0.550088 9C 2dxz -0.096768 0.239789 -0.362199 -0.326423 0.204371 0.137440 9C 2dyz 0.510225 0.864256 -0.269812 -0.585413 -0.229983 -0.489732 9C 2dx2y2 -0.200161 -0.224413 -0.050970 0.256290 0.285247 0.353315 9C 2dxy 0.090451 0.152927 -0.235322 -0.009692 0.185026 0.180451 9C 1f0 -0.021796 -0.098242 -0.046846 0.063972 0.052893 0.060052 9C 1f+1 -0.012448 -0.183210 0.049640 0.209500 -0.009694 0.027424 9C 1f-1 -0.133621 -0.271604 0.124425 0.096001 0.018528 0.154973 9C 1f+2 0.130181 0.114754 -0.034739 -0.093694 0.034811 0.027095 9C 1f-2 -0.020002 -0.028404 0.064956 -0.029862 -0.004615 -0.012077 9C 1f+3 -0.056270 -0.027529 0.031858 0.004644 -0.005273 0.022988 9C 1f-3 -0.069665 -0.053226 0.041142 -0.054711 0.110962 0.131061 10H 1s -0.004227 -0.007380 -0.028060 -0.002676 -0.010649 -0.040452 10H 2s 0.329806 0.456215 -0.293235 0.038094 -0.329564 -0.307493 10H 3s -0.075629 -0.106199 0.070189 -0.018594 -0.013911 -0.149722 10H 1pz 0.054697 0.072484 -0.135306 -0.035009 -0.113924 -0.104308 10H 1px -0.199736 -0.255386 0.029162 -0.063846 0.014832 -0.020195 10H 1py 0.007518 0.050153 -0.048738 0.055947 -0.108238 -0.113358 11H 1s -0.073034 -0.102782 0.012628 -0.051844 -0.036220 -0.036643 11H 2s 0.354724 0.735845 -0.110961 0.597360 0.054269 0.069721 11H 3s -0.167365 -0.272429 0.048471 -0.095559 0.065312 -0.068698 11H 1pz 0.092349 0.260053 0.024203 0.256203 0.046554 0.042551 11H 1px 0.116087 0.241245 -0.075810 0.131176 0.028468 0.052010 11H 1py -0.190837 -0.219363 0.131812 -0.085543 0.081424 0.088307 12H 1s -0.044106 -0.072970 0.040687 -0.044466 -0.014604 0.003618 12H 2s 0.573024 0.442889 -0.030373 0.039485 0.087084 -0.067221 12H 3s -0.219388 -0.091122 0.053293 0.068883 0.025209 -0.021954 12H 1pz -0.061562 -0.190035 0.165382 -0.101494 0.081109 0.046275 12H 1px 0.089298 0.057419 -0.008599 0.049672 -0.043691 -0.061996 12H 1py 0.283089 0.228550 -0.036495 0.010818 0.051874 0.000149 13H 1s 0.051541 0.007717 0.026393 -0.011202 0.038249 -0.039809 13H 2s -0.373695 0.398927 0.296990 -0.094960 0.254218 -0.247565 13H 3s 0.099451 -0.118780 -0.050458 0.036544 0.072878 -0.139174 13H 1pz -0.171192 0.156376 0.064252 -0.082432 0.086507 -0.095214 13H 1px 0.196492 -0.133121 -0.022469 0.002090 0.067246 -0.087439 13H 1py -0.048618 -0.058287 -0.120180 -0.013625 -0.105350 0.067820 14H 1s 0.021306 -0.028851 -0.048635 0.064585 -0.007348 -0.003365 14H 2s -0.457649 0.381690 -0.118830 0.055082 -0.044665 0.168384 14H 3s 0.091980 -0.145538 0.031460 -0.004989 -0.074506 -0.101402 14H 1pz -0.145737 0.112075 -0.015347 0.053862 -0.083975 0.108460 14H 1px -0.181356 0.178326 -0.006843 -0.044189 0.033993 0.016222 14H 1py -0.103196 0.104341 0.171848 -0.138612 0.032034 -0.021673 15H 1s 0.103498 -0.068284 -0.013388 0.049737 0.069215 -0.042311 15H 2s -0.615771 0.294455 0.237575 -0.545734 -0.234888 0.097517 15H 3s 0.278702 -0.187945 -0.082949 0.064573 0.017534 -0.057086 15H 1pz 0.225646 -0.226527 -0.120823 0.115506 -0.019432 -0.020217 15H 1px -0.054857 -0.014974 0.027277 -0.007835 -0.110396 0.097658 15H 1py 0.285433 -0.081152 -0.065923 0.263684 0.116333 -0.031103 16H 1s 0.016378 -0.009223 -0.005627 -0.026952 0.009217 0.015828 16H 2s -0.149422 0.185852 0.141652 0.117104 0.041232 0.163126 16H 3s 0.027387 0.003214 -0.032758 -0.022711 0.002757 -0.041883 16H 1pz -0.036789 0.072909 0.070790 0.029617 0.025240 0.069602 16H 1px -0.016573 -0.001235 -0.011892 -0.015343 -0.007299 -0.007181 16H 1py -0.004931 0.005271 0.030949 0.019741 0.008688 0.016502 17H 1s 0.029130 0.014375 0.024580 0.007800 0.006447 0.007266 17H 2s -0.160721 0.200473 -0.172790 -0.169341 -0.078027 0.117484 17H 3s 0.004754 -0.035019 0.024603 0.035493 0.026604 -0.053771 17H 1pz 0.038679 -0.067851 0.028545 0.040819 0.011085 -0.042643 17H 1px 0.021853 -0.039997 0.060954 0.041003 0.022130 -0.035103 17H 1py -0.015042 0.032642 -0.045084 -0.028829 -0.018556 0.013032 18H 1s 0.008139 -0.015194 -0.023509 0.007177 0.005754 0.007695 18H 2s -0.142765 -0.191937 0.163062 -0.152765 -0.073449 0.121295 18H 3s -0.002451 0.035209 -0.025028 0.035589 0.024777 -0.058549 18H 1pz -0.035720 -0.066840 0.026636 -0.038110 -0.010431 0.045416 18H 1px -0.032453 -0.038192 0.059018 -0.035811 -0.021073 0.035624 18H 1py 0.003551 0.030507 -0.043688 0.024830 0.017492 -0.012155 19H 1s 0.024547 0.007803 0.006717 -0.027517 0.009396 0.017109 19H 2s -0.230319 -0.171149 -0.154864 0.123982 0.043914 0.167578 19H 3s 0.016224 -0.004938 0.033183 -0.020502 0.003952 -0.044830 19H 1pz 0.078859 0.067847 0.075037 -0.031625 -0.026194 -0.071078 19H 1px -0.007189 -0.001336 -0.012211 0.016128 0.007659 0.007392 19H 1py 0.018985 0.005893 0.032468 -0.020456 -0.009009 -0.019077 20H 1s -0.091934 0.068613 0.012779 0.051242 0.069391 -0.042918 20H 2s 0.720064 -0.304986 -0.229556 -0.553247 -0.233616 0.090839 20H 3s -0.238823 0.186444 0.082388 0.067294 0.017841 -0.056482 20H 1pz 0.250701 -0.228878 -0.120877 -0.117568 0.020142 0.016668 20H 1px -0.048272 -0.012442 0.026470 0.011482 0.108902 -0.095506 20H 1py 0.308907 -0.084346 -0.061965 -0.267389 -0.116262 0.029926 21H 1s -0.054151 0.030417 0.047576 0.064876 -0.006000 -0.003811 21H 2s 0.624103 -0.390604 0.118077 0.047796 -0.034176 0.165172 21H 3s -0.156649 0.148310 -0.030068 -0.005618 -0.077761 -0.099699 21H 1pz -0.184446 0.115281 -0.015911 -0.049958 0.080235 -0.107713 21H 1px -0.246630 0.180622 -0.007069 0.045447 -0.036464 -0.014702 21H 1py -0.085725 0.104752 0.172011 0.139561 -0.029023 0.023086 22H 1s -0.043604 -0.007961 -0.026704 -0.010579 0.036445 -0.038732 22H 2s 0.293229 -0.391838 -0.300608 -0.096401 0.248178 -0.245137 22H 3s -0.088212 0.119089 0.047782 0.038015 0.074354 -0.139847 22H 1pz -0.137174 0.153281 0.065484 0.082912 -0.084154 0.093708 22H 1px 0.223312 -0.134263 -0.021220 -0.005038 -0.065250 0.086427 22H 1py -0.059253 -0.057850 -0.121459 0.014782 0.103354 -0.068592 23H 1s 0.003482 0.074560 -0.039486 -0.047533 -0.016211 0.002787 23H 2s -0.453875 -0.456993 0.044322 0.061706 0.072473 -0.078960 23H 3s 0.158798 0.096975 -0.056707 0.064569 0.027760 -0.020035 23H 1pz 0.021861 -0.190149 0.166355 0.105922 -0.078000 -0.046079 23H 1px 0.053379 0.055867 -0.011458 -0.050643 0.042791 0.059755 23H 1py 0.228018 0.235108 -0.040641 -0.022233 -0.044825 0.006600 24H 1s 0.075143 0.102015 -0.013443 -0.053950 -0.034299 -0.036463 24H 2s -0.214696 -0.730269 0.110291 0.613989 0.048829 0.061175 24H 3s 0.149101 0.269397 -0.049240 -0.102079 0.067164 -0.068593 24H 1pz 0.073796 0.254245 0.026891 -0.259671 -0.045858 -0.043112 24H 1px 0.074091 0.243800 -0.077190 -0.139843 -0.023991 -0.044727 24H 1py -0.102799 -0.218798 0.135761 0.089078 -0.081125 -0.088051 25H 1s 0.032740 0.005863 0.027707 -0.002343 -0.009415 -0.038159 25H 2s -0.199459 -0.456537 0.297856 0.050763 -0.324609 -0.306382 25H 3s 0.007504 0.107329 -0.070457 -0.017507 -0.016930 -0.151567 25H 1pz -0.002995 0.076179 -0.136246 0.030824 0.112263 0.106312 25H 1px -0.168565 -0.255624 0.030601 0.070523 -0.016762 0.019794 25H 1py -0.008201 0.045084 -0.051417 -0.054709 0.104756 0.108816 26O 1s -0.012694 -0.001895 -0.002306 0.021853 -0.018136 0.001774 26O 2s -0.044479 -0.006484 -0.008909 0.077381 -0.065369 0.003620 26O 3s 0.367674 0.043052 0.150426 -0.667641 0.581382 0.079711 26O 4s -0.817547 0.103303 -1.101944 1.795008 -1.797708 -0.841637 26O 5s 0.181408 0.384255 -0.830102 0.070971 1.147489 -0.691660 26O 1pz 0.061233 0.065079 -0.078953 -0.046893 -0.096365 -0.064806 26O 1px -0.026682 0.050516 -0.187301 0.072351 0.027734 -0.077642 26O 1py 0.086475 -0.019522 -0.077228 -0.127520 0.016622 -0.071315 26O 2pz -0.142329 -0.200702 0.171445 -0.013713 0.186023 0.109401 26O 2px 0.222053 -0.157750 0.841251 -0.564002 0.371693 0.654727 26O 2py -0.133523 0.009728 0.327000 0.103689 0.100915 0.328470 26O 3pz 0.248235 0.066891 -0.141683 -0.013369 -0.010082 -0.509739 26O 3px 0.209692 -0.236512 0.179412 -0.085296 -0.057272 -0.204123 26O 3py 0.202713 0.024425 0.017942 -0.166589 -0.026085 -0.370965 26O 1dz2 0.001979 -0.003974 0.008366 -0.003097 -0.000782 0.001606 26O 1dxz 0.004696 0.002051 -0.007948 -0.000478 -0.004431 -0.003045 26O 1dyz 0.001373 -0.001393 0.004065 -0.009427 0.003140 -0.001211 26O 1dx2y2 -0.002950 -0.002416 -0.004411 -0.000037 0.002530 -0.000248 26O 1dxy -0.002101 0.002862 -0.007658 0.002781 -0.002911 -0.000609 26O 2dz2 0.016497 -0.013888 0.079514 -0.014074 -0.000740 0.030973 26O 2dxz -0.028055 0.024632 -0.030250 0.055963 -0.116765 -0.050469 26O 2dyz -0.004583 -0.030251 0.103718 -0.066933 0.018585 0.011135 26O 2dx2y2 -0.053607 0.089318 -0.036506 0.151629 0.018483 -0.003293 26O 2dxy 0.007444 -0.088895 0.013596 -0.112861 0.038409 -0.039829 26O 1f0 0.015189 0.012785 0.010593 0.004690 0.023173 0.020527 26O 1f+1 -0.004803 0.006767 -0.003202 0.017066 -0.011282 -0.014012 26O 1f-1 -0.007463 0.000088 0.004900 0.009046 -0.004126 0.001705 26O 1f+2 -0.020656 -0.011667 -0.020505 -0.001127 -0.025007 -0.030587 26O 1f-2 -0.001194 -0.011012 0.004361 -0.016579 -0.012977 -0.016566 26O 1f+3 -0.010809 -0.025265 -0.014291 -0.019315 -0.023506 -0.029029 26O 1f-3 -0.008970 -0.002046 -0.011574 0.014875 -0.014654 -0.013532 27O 1s 0.006445 -0.002762 -0.003227 -0.011065 0.012859 0.004964 27O 2s 0.022700 -0.008580 -0.010311 -0.040290 0.047456 0.014900 27O 3s -0.193547 0.045052 -0.001376 0.427920 -0.454075 -0.029155 27O 4s 0.419085 0.176066 0.755807 -1.672935 1.548978 -0.403174 27O 5s -0.067447 0.081083 1.003373 -1.158899 -0.944096 -0.581527 27O 1pz -0.023133 0.027670 -0.045002 0.157055 0.043395 0.038276 27O 1px 0.032341 0.017874 0.192531 -0.145646 -0.044859 -0.021065 27O 1py 0.086537 -0.065631 -0.096598 -0.041315 -0.054765 0.050664 27O 2pz 0.057550 -0.043779 0.148792 -0.382423 -0.030563 -0.151246 27O 2px -0.176795 -0.113476 -0.829125 0.934310 -0.369800 0.422801 27O 2py -0.235197 0.162655 0.268944 -0.100753 0.134666 -0.133547 27O 3pz -0.196926 0.047844 0.124149 -0.028674 0.008044 -0.162814 27O 3px -0.028235 0.022857 -0.182635 0.120273 0.126377 -0.125984 27O 3py 0.039615 -0.100243 -0.111846 0.091831 -0.037602 0.366529 27O 1dz2 0.000556 -0.000707 -0.002064 0.001480 0.003713 0.003096 27O 1dxz -0.007530 0.002779 -0.000143 -0.000544 0.001653 0.000490 27O 1dyz 0.000266 0.005293 0.005388 -0.007694 0.001584 0.002061 27O 1dx2y2 0.003075 -0.000370 0.009607 -0.010180 -0.002513 0.003293 27O 1dxy 0.001133 -0.003038 -0.005493 0.001800 -0.004413 -0.001602 27O 2dz2 -0.018134 0.026804 0.010798 0.013443 0.015281 0.040996 27O 2dxz 0.075916 -0.004203 -0.094680 0.191836 0.064702 0.042031 27O 2dyz -0.021991 0.033303 0.124883 -0.128360 0.041958 -0.014012 27O 2dx2y2 0.049389 -0.021409 0.067488 -0.060004 -0.023827 -0.007130 27O 2dxy 0.048781 -0.007207 -0.015440 0.012480 -0.058938 0.081063 27O 1f0 -0.019657 0.005608 -0.003536 -0.011718 -0.021358 0.012704 27O 1f+1 0.009906 0.002523 0.005541 -0.006549 0.014433 -0.008750 27O 1f-1 0.001167 -0.001261 -0.001855 0.005767 0.007552 -0.004677 27O 1f+2 0.017550 -0.003481 0.013306 0.005949 0.023534 -0.018267 27O 1f-2 0.010239 -0.007294 0.017361 -0.011565 0.008227 -0.006678 27O 1f+3 0.006547 -0.005110 0.012736 -0.019545 0.027584 -0.029357 27O 1f-3 0.020291 -0.008755 0.009010 0.022897 0.024122 -0.026062 28O 1s -0.001207 -0.008551 -0.012042 -0.011153 0.017216 0.026192 28O 2s -0.004252 -0.029980 -0.042596 -0.039324 0.060218 0.092476 28O 3s 0.016431 0.196924 0.291295 0.265882 -0.530885 -0.790620 28O 4s 0.236595 -0.073334 -0.198027 -0.341868 1.541973 2.219858 28O 5s 0.340042 1.169744 1.397569 1.729781 0.459937 -0.582620 28O 1pz 0.021090 0.008973 0.039254 0.025622 -0.128824 -0.210066 28O 1px 0.002366 -0.022666 -0.351540 -0.102419 -0.258910 -0.209180 28O 1py -0.036598 0.037269 -0.129605 0.052670 -0.200692 -0.174910 28O 2pz -0.148390 -0.194452 -0.168169 -0.223868 -0.021072 0.116522 28O 2px 0.105058 0.192608 0.924437 0.292283 0.908688 0.865482 28O 2py 0.089508 -0.123561 0.291670 -0.145447 0.398667 0.320832 28O 3pz -0.004013 -0.058310 0.018276 -0.086784 0.017643 -0.359059 28O 3px 0.094317 0.188109 0.149150 0.083062 0.041981 0.048453 28O 3py 0.069869 0.158769 0.119937 0.111181 0.041248 -0.197180 28O 1dz2 0.005129 0.006680 -0.007080 0.003154 -0.005180 -0.005931 28O 1dxz -0.001557 -0.004407 -0.010115 -0.003599 -0.006633 -0.008306 28O 1dyz 0.001922 0.005403 -0.003328 0.003140 -0.005629 -0.007951 28O 1dx2y2 0.000874 -0.006707 0.010738 -0.000958 0.013664 0.004471 28O 1dxy -0.005437 -0.001922 0.003810 -0.000381 0.002217 0.002642 28O 2dz2 0.040438 -0.000758 -0.146831 -0.005526 -0.106059 -0.166700 28O 2dxz -0.002646 -0.004367 -0.089659 -0.035614 -0.045401 -0.014668 28O 2dyz -0.051295 0.034448 -0.177796 0.019662 -0.109533 -0.114418 28O 2dx2y2 -0.022101 0.008895 0.158002 0.048244 0.124799 0.111328 28O 2dxy 0.055036 -0.013028 0.067228 -0.021455 0.067138 0.015505 28O 1f0 0.000538 0.003169 0.004128 -0.002605 0.002923 0.002696 28O 1f+1 0.004088 0.038856 -0.028727 0.042009 0.002966 0.018077 28O 1f-1 0.004366 0.009083 -0.013600 0.000535 -0.002432 0.000064 28O 1f+2 -0.007404 -0.005413 0.000423 0.000467 -0.016405 -0.015868 28O 1f-2 0.006277 -0.000098 -0.002570 -0.001299 0.006209 0.009413 28O 1f+3 0.000480 0.017251 -0.016758 0.020091 -0.005803 -0.002073 28O 1f-3 0.013526 0.010488 -0.028948 0.003285 -0.004415 -0.010156 29O 1s -0.003674 0.009255 -0.000497 -0.000233 -0.001420 -0.000631 29O 2s -0.012213 0.031000 -0.001862 -0.000660 -0.005176 -0.002167 29O 3s 0.073271 -0.197914 0.014781 0.001518 0.041378 0.024020 29O 4s -0.100219 0.312167 -0.026526 -0.020088 -0.091765 0.058795 29O 5s 0.281851 -0.616023 0.035569 0.134864 0.152181 -0.650099 29O 1pz 0.017863 -0.019560 -0.008267 0.003353 -0.009425 0.013311 29O 1px -0.021701 0.065772 0.009121 -0.002417 0.001026 -0.043556 29O 1py -0.021305 -0.022112 0.000505 0.008672 0.004406 -0.043851 29O 2pz -0.036331 0.054056 0.118957 0.049825 0.051470 0.010702 29O 2px 0.070627 -0.178571 0.023099 0.038913 0.017285 0.022616 29O 2py 0.009881 0.100657 -0.008694 -0.031180 -0.014298 0.130054 29O 3pz -0.030781 -0.054423 0.035434 0.140139 0.042258 -0.022671 29O 3px -0.028413 0.145738 0.022277 0.005788 -0.044648 0.217257 29O 3py -0.185273 0.105309 -0.024535 -0.041224 -0.008192 0.059513 29O 1dz2 -0.000481 0.001345 0.003031 0.002046 0.001540 0.004460 29O 1dxz 0.001426 0.000839 -0.000793 -0.003727 -0.001672 0.002823 29O 1dyz -0.000300 -0.000387 0.005299 0.000487 0.002452 -0.000411 29O 1dx2y2 0.000551 -0.001998 0.000947 -0.000910 0.001419 -0.006258 29O 1dxy 0.001710 -0.000903 0.003564 0.001893 -0.000693 -0.001615 29O 2dz2 0.001613 -0.013836 -0.020561 -0.007645 -0.009193 -0.008328 29O 2dxz 0.011102 -0.024562 0.025158 0.001362 0.003485 0.006620 29O 2dyz 0.001863 -0.005232 -0.045007 -0.035989 -0.019246 -0.016825 29O 2dx2y2 -0.002463 0.002246 0.010136 -0.000416 0.012424 -0.026191 29O 2dxy -0.006025 0.042918 -0.007867 -0.020669 -0.008277 0.014000 29O 1f0 -0.003500 0.004223 -0.002839 -0.000295 -0.001831 -0.000780 29O 1f+1 0.000610 -0.001918 -0.000726 0.000196 0.000105 -0.000030 29O 1f-1 -0.004378 0.003245 0.001453 0.003315 -0.001267 -0.000314 29O 1f+2 0.000228 -0.000541 -0.001231 -0.002425 -0.000607 0.000783 29O 1f-2 -0.006193 -0.001351 -0.003856 -0.002240 0.000808 0.000361 29O 1f+3 -0.001584 0.001133 0.000395 0.000599 -0.000215 0.004046 29O 1f-3 0.002929 0.000898 0.001444 -0.000121 0.001721 -0.001171 30O 1s 0.008880 -0.002099 0.010490 -0.004577 -0.017204 0.025173 30O 2s 0.029554 -0.007813 0.037290 -0.015274 -0.060907 0.089412 30O 3s -0.165975 0.075145 -0.255730 0.115096 0.556546 -0.778945 30O 4s -0.163678 -0.112040 0.148113 -0.149395 -1.699942 2.221952 30O 5s -1.169748 -0.139974 -1.160804 -0.422897 -0.620474 -0.646058 30O 1pz -0.005817 0.012096 -0.017945 -0.011993 0.068715 -0.136589 30O 1px 0.087208 0.129173 0.313966 -0.065135 0.298586 -0.151114 30O 1py -0.024305 -0.079259 0.058108 -0.030035 -0.211469 0.174403 30O 2pz 0.165705 -0.010549 0.090530 0.035140 0.125758 0.008360 30O 2px -0.377882 -0.303856 -0.824116 0.203426 -1.019882 0.707041 30O 2py -0.114812 0.170929 -0.168615 -0.034213 0.154632 -0.067047 30O 3pz 0.176470 0.112696 0.023644 0.270612 0.146411 -0.401411 30O 3px -0.299870 -0.018580 -0.152778 -0.114092 -0.168521 0.016506 30O 3py -0.231227 -0.178113 0.068308 -0.431384 -0.228645 0.497867 30O 1dz2 -0.001452 0.002940 0.004667 -0.001510 0.004537 -0.001892 30O 1dxz -0.001945 0.001552 0.011118 0.000850 0.002918 -0.002959 30O 1dyz 0.001770 -0.003842 -0.000235 -0.001391 -0.002177 0.005361 30O 1dx2y2 0.002349 -0.009490 -0.009348 0.004475 -0.012389 0.002137 30O 1dxy -0.005793 0.000683 -0.005330 0.001993 -0.007870 0.002196 30O 2dz2 0.017166 0.017430 0.092108 -0.006370 0.045127 -0.041370 30O 2dxz 0.045364 0.061456 0.057162 0.015567 0.087772 -0.028441 30O 2dyz -0.034105 -0.018453 -0.128032 0.025231 -0.079343 0.092818 30O 2dx2y2 -0.046847 -0.085222 -0.165315 0.042875 -0.188077 0.100308 30O 2dxy -0.036907 -0.019277 -0.108870 0.003523 -0.047734 0.044289 30O 1f0 0.004378 -0.004038 -0.007945 0.008859 -0.003738 0.004102 30O 1f+1 0.002485 0.011598 0.011076 -0.007448 0.009893 0.005983 30O 1f-1 -0.006672 -0.003187 -0.005911 -0.002692 -0.003969 0.005021 30O 1f+2 -0.010741 0.005376 0.011651 -0.027459 -0.002371 -0.001648 30O 1f-2 0.011055 -0.001253 -0.002884 0.010079 0.021201 -0.029385 30O 1f+3 -0.018355 0.020943 0.036998 -0.041441 -0.009762 0.012843 30O 1f-3 0.017160 -0.003749 -0.012100 0.009549 0.013082 -0.005803 31O 1s -0.016633 0.002135 -0.010150 -0.004468 -0.017481 0.025254 31O 2s -0.057405 0.007948 -0.036099 -0.014926 -0.061807 0.089576 31O 3s 0.359652 -0.074223 0.245058 0.114317 0.560694 -0.777428 31O 4s -0.075010 0.098971 -0.118137 -0.158314 -1.689935 2.207261 31O 5s 2.217367 0.106779 1.179981 -0.460726 -0.580801 -0.649282 31O 1pz -0.020764 0.011685 -0.016706 0.011248 -0.066545 0.134510 31O 1px 0.186779 0.126281 0.318586 0.059604 -0.293596 0.158611 31O 1py 0.033468 -0.080166 0.053758 0.034261 0.213381 -0.176719 31O 2pz 0.242565 -0.014917 0.093245 -0.038174 -0.125263 -0.008551 31O 2px -0.672654 -0.290874 -0.840257 -0.184280 0.999637 -0.717663 31O 2py -0.331616 0.180876 -0.166472 0.029963 -0.164884 0.078247 31O 3pz -0.052014 0.117396 0.026296 -0.272754 -0.143018 0.388612 31O 3px -0.381365 -0.017979 -0.157948 0.120585 0.161708 -0.010127 31O 3py -0.075819 -0.180888 0.059950 0.437089 0.225592 -0.485275 31O 1dz2 0.000504 -0.002861 -0.004671 -0.001359 0.004568 -0.002010 31O 1dxz -0.004062 -0.001406 -0.011220 0.000872 0.002800 -0.003163 31O 1dyz -0.006406 0.003977 0.000233 -0.001300 -0.002146 0.005192 31O 1dx2y2 -0.003492 0.009641 0.009490 0.004378 -0.012308 0.002444 31O 1dxy 0.004817 -0.000543 0.005363 0.001913 -0.007792 0.002459 31O 2dz2 -0.076693 -0.015035 -0.093311 -0.005331 0.041069 -0.041400 31O 2dxz -0.026591 -0.061786 -0.058386 0.018046 0.088108 -0.029579 31O 2dyz 0.013703 0.019736 0.128452 0.025955 -0.077706 0.095228 31O 2dx2y2 0.061397 0.086046 0.168173 0.039995 -0.186737 0.105274 31O 2dxy 0.081524 0.017602 0.110170 0.003709 -0.042902 0.042769 31O 1f0 -0.001087 -0.003883 -0.008130 -0.008944 0.003497 -0.004002 31O 1f+1 -0.004675 0.012056 0.010990 0.007060 -0.010065 -0.005462 31O 1f-1 -0.004049 -0.003218 -0.006016 0.002675 0.003628 -0.004863 31O 1f+2 -0.007839 0.005420 0.011512 0.027517 0.002754 0.001585 31O 1f-2 0.016252 -0.001857 -0.002366 -0.010523 -0.020757 0.028759 31O 1f+3 -0.021584 0.021377 0.036432 0.041802 0.010415 -0.012185 31O 1f-3 0.014347 -0.003966 -0.012001 -0.010140 -0.013115 0.005427 32O 1s -0.008323 -0.008799 0.000181 0.000014 -0.001384 -0.000296 32O 2s -0.028014 -0.029457 0.000837 0.000129 -0.005075 -0.001036 32O 3s 0.180369 0.187878 -0.009064 -0.002407 0.041212 0.016330 32O 4s -0.275667 -0.295730 0.020197 -0.015853 -0.092261 0.073168 32O 5s 0.518928 0.581762 -0.015900 0.112383 0.146777 -0.677227 32O 1pz -0.009841 -0.018052 -0.008951 -0.003510 0.009229 -0.012893 32O 1px 0.039589 0.064356 0.011094 0.001894 -0.001163 0.040595 32O 1py -0.016682 -0.021340 0.000142 -0.008313 -0.003948 0.045994 32O 2pz 0.062040 0.046846 0.122353 -0.048641 -0.051056 -0.010950 32O 2px -0.107177 -0.174389 0.016754 -0.033702 -0.015760 -0.014913 32O 2py 0.076200 0.096435 -0.002252 0.024953 0.011288 -0.136032 32O 3pz -0.003505 -0.056255 0.038120 -0.137991 -0.043581 0.026012 32O 3px 0.101380 0.137947 0.024071 -0.006039 0.043963 -0.228379 32O 3py 0.116368 0.097441 -0.016059 0.033221 0.006391 -0.060046 32O 1dz2 -0.000653 -0.001330 -0.003124 0.002029 0.001561 0.004582 32O 1dxz -0.000276 -0.000842 0.000862 -0.003599 -0.001665 0.002902 32O 1dyz -0.001694 0.000476 -0.005394 0.000376 0.002407 -0.000384 32O 1dx2y2 0.000877 0.001886 -0.000921 -0.000955 0.001397 -0.006281 32O 1dxy 0.001846 0.000860 -0.003475 0.001737 -0.000730 -0.001618 32O 2dz2 0.022046 0.012633 0.018556 -0.007241 -0.008250 -0.008178 32O 2dxz 0.008645 0.025031 -0.025484 0.000453 0.003603 0.006595 32O 2dyz 0.014298 0.004592 0.046863 -0.035380 -0.019842 -0.018290 32O 2dx2y2 -0.010194 -0.001549 -0.012647 0.001065 0.013235 -0.026223 32O 2dxy -0.013536 -0.041614 0.005352 -0.017909 -0.007273 0.015109 32O 1f0 0.004813 0.003734 -0.002750 0.000180 0.001732 0.000904 32O 1f+1 -0.003036 -0.001765 -0.000632 -0.000146 -0.000138 0.000081 32O 1f-1 0.005441 0.003131 0.001564 -0.003377 0.001326 0.000404 32O 1f+2 -0.002682 -0.000464 -0.001260 0.002528 0.000509 -0.000749 32O 1f-2 0.001368 -0.001634 -0.003715 0.002260 -0.000888 -0.000268 32O 1f+3 0.001015 0.001005 0.000210 -0.000528 0.000269 -0.004052 32O 1f-3 0.000444 0.001018 0.001353 0.000161 -0.001634 0.001119 33O 1s 0.022308 0.007857 0.012169 -0.011887 0.017606 0.026626 33O 2s 0.076519 0.027629 0.043001 -0.041868 0.061525 0.093821 33O 3s -0.525216 -0.179804 -0.292605 0.284126 -0.538110 -0.797158 33O 4s 0.521371 0.040863 0.190916 -0.370625 1.537705 2.218549 33O 5s -1.652393 -1.131380 -1.426924 1.788851 0.404913 -0.614840 33O 1pz 0.083344 0.007709 0.036193 -0.024885 0.128904 0.208297 33O 1px -0.189476 -0.019696 -0.359379 0.102267 0.253331 0.214873 33O 1py -0.071392 0.036089 -0.131336 -0.053814 0.195873 0.175165 33O 2pz -0.301575 -0.192254 -0.166187 0.225604 0.012184 -0.121687 33O 2px 0.592641 0.188974 0.947007 -0.296567 -0.886170 -0.869123 33O 2py 0.149569 -0.121408 0.294529 0.148944 -0.388060 -0.322730 33O 3pz 0.303031 -0.056073 0.024395 0.087408 -0.023470 0.336965 33O 3px 0.076834 0.186679 0.148731 -0.089948 -0.033630 -0.037072 33O 3py 0.158605 0.158450 0.122311 -0.116003 -0.039267 0.190977 33O 1dz2 -0.001932 -0.006758 0.007245 0.003352 -0.005172 -0.005991 33O 1dxz 0.004647 0.004404 0.010186 -0.003557 -0.006526 -0.008705 33O 1dyz 0.001021 -0.005675 0.003479 0.003482 -0.005624 -0.007929 33O 1dx2y2 -0.002460 0.006578 -0.010953 -0.001151 0.013570 0.004891 33O 1dxy 0.001660 0.002004 -0.003876 -0.000399 0.002184 0.002571 33O 2dz2 0.031472 -0.000455 0.151722 -0.004741 -0.105796 -0.170696 33O 2dxz 0.051289 0.002559 0.090245 -0.035563 -0.041705 -0.011556 33O 2dyz 0.093937 -0.036273 0.178717 0.023657 -0.105635 -0.116279 33O 2dx2y2 -0.060210 -0.006686 -0.162336 0.048561 0.122219 0.112836 33O 2dxy -0.047880 0.011869 -0.066201 -0.021765 0.063767 0.015837 33O 1f0 0.003473 0.003218 0.004025 0.002352 -0.002666 -0.002525 33O 1f+1 -0.006036 0.038172 -0.028450 -0.042891 -0.003193 -0.017511 33O 1f-1 -0.000575 0.009309 -0.013644 -0.001175 0.002312 0.000153 33O 1f+2 -0.004511 -0.005898 0.000315 0.000120 0.015921 0.015088 33O 1f-2 0.004999 0.000286 -0.002748 0.001065 -0.005813 -0.008986 33O 1f+3 -0.003601 0.016632 -0.016900 -0.020519 0.005478 0.002149 33O 1f-3 0.001659 0.011189 -0.029419 -0.003881 0.004299 0.010703 34O 1s 0.006610 0.002309 0.003206 -0.011076 0.013166 0.004072 34O 2s 0.022525 0.006982 0.010216 -0.040234 0.048502 0.011762 34O 3s -0.138482 -0.032097 0.002146 0.424567 -0.460177 -0.003578 34O 4s 0.139350 -0.205394 -0.758645 -1.651433 1.546980 -0.468474 34O 5s -0.468423 -0.077932 -0.980141 -1.142521 -0.985367 -0.541435 34O 1pz -0.024801 0.027993 -0.042400 -0.156583 -0.048286 -0.036504 34O 1px 0.110725 0.017846 0.190855 0.145902 0.049261 0.020764 34O 1py 0.032645 -0.063034 -0.098581 0.039076 0.055245 -0.053323 34O 2pz 0.107958 -0.045514 0.144519 0.380922 0.042655 0.148402 34O 2px -0.325407 -0.118692 -0.825303 -0.922508 0.351226 -0.432676 34O 2py -0.117595 0.158804 0.271548 0.104018 -0.134300 0.141631 34O 3pz 0.013636 0.042008 0.126866 0.028674 -0.006034 0.160835 34O 3px 0.138234 0.022287 -0.177505 -0.121325 -0.131288 0.139624 34O 3py -0.020012 -0.100408 -0.112357 -0.089271 0.035664 -0.370752 34O 1dz2 0.003037 0.000633 0.001970 0.001538 0.003816 0.003154 34O 1dxz 0.004814 -0.002740 0.000044 -0.000604 0.001723 0.000244 34O 1dyz 0.000651 -0.005497 -0.005337 -0.007629 0.001553 0.001792 34O 1dx2y2 -0.002453 0.000222 -0.009472 -0.010282 -0.002698 0.003136 34O 1dxy -0.003046 0.003097 0.005541 0.001768 -0.004399 -0.001376 34O 2dz2 0.016615 -0.026538 -0.011617 0.012578 0.015848 0.039622 34O 2dxz -0.025136 0.003096 0.092103 0.194483 0.070108 0.039226 34O 2dyz 0.001402 -0.034059 -0.124523 -0.129320 0.039933 -0.016151 34O 2dx2y2 -0.042943 0.019782 -0.066281 -0.059424 -0.025892 -0.005380 34O 2dxy 0.004140 0.004265 0.016739 0.011469 -0.058371 0.083152 34O 1f0 -0.023080 0.005922 -0.003993 0.012262 0.021354 -0.012758 34O 1f+1 0.007441 0.002706 0.005488 0.005995 -0.014222 0.009171 34O 1f-1 -0.001832 -0.001248 -0.001747 -0.005694 -0.007716 0.004770 34O 1f+2 0.020777 -0.003533 0.013807 -0.006213 -0.023554 0.018726 34O 1f-2 0.009131 -0.007098 0.017277 0.011592 -0.007868 0.007172 34O 1f+3 0.007415 -0.005220 0.012907 0.019116 -0.027156 0.029536 34O 1f-3 0.028846 -0.009272 0.009586 -0.022839 -0.023836 0.026076 35O 1s -0.002067 0.002652 0.002441 0.022092 -0.018433 0.000831 35O 2s -0.006636 0.009183 0.009399 0.078115 -0.066351 0.000343 35O 3s -0.031955 -0.065519 -0.155478 -0.670319 0.586050 0.104701 35O 4s 0.545272 -0.048135 1.123994 1.793159 -1.787767 -0.897399 35O 5s 1.468799 -0.422454 0.830232 0.037081 1.193656 -0.627840 35O 1pz 0.062660 0.065629 -0.080089 0.041842 0.096066 0.066824 35O 1px -0.203548 0.052736 -0.186743 -0.074500 -0.033305 0.075371 35O 1py 0.020099 -0.013300 -0.081474 0.124264 -0.013546 0.077128 35O 2pz -0.123169 -0.199787 0.173108 0.023332 -0.184926 -0.112931 35O 2px 0.827900 -0.152922 0.847850 0.558653 -0.346750 -0.652255 35O 2py 0.125584 -0.000841 0.339413 -0.100672 -0.103663 -0.343295 35O 3pz -0.113989 0.080307 -0.146332 0.003575 0.007696 0.514398 35O 3px 0.070677 -0.227642 0.177256 0.076773 0.064645 0.220622 35O 3py 0.031094 0.035889 0.013009 0.154328 0.028899 0.382872 35O 1dz2 -0.005026 0.004017 -0.008370 -0.003285 -0.000884 0.001878 35O 1dxz 0.000449 -0.002175 0.008186 -0.000411 -0.004404 -0.003302 35O 1dyz 0.001011 0.001231 -0.004068 -0.009473 0.003122 -0.001150 35O 1dx2y2 0.004990 0.002345 0.004289 0.000026 0.002616 -0.000271 35O 1dxy 0.004163 -0.002870 0.007817 0.002925 -0.002788 -0.000634 35O 2dz2 -0.049405 0.014029 -0.079418 -0.013297 -0.002150 0.031285 35O 2dxz 0.005754 -0.020585 0.030323 0.055697 -0.114588 -0.050336 35O 2dyz -0.021632 0.029593 -0.104457 -0.068968 0.017896 0.013098 35O 2dx2y2 0.099020 -0.085915 0.033569 0.150566 0.024166 0.003925 35O 2dxy 0.022830 0.085166 -0.011464 -0.115973 0.035914 -0.042027 35O 1f0 0.012979 0.012910 0.010688 -0.004423 -0.022763 -0.020777 35O 1f+1 -0.010781 0.006091 -0.003367 -0.016716 0.010958 0.013816 35O 1f-1 -0.004814 -0.000458 0.005004 -0.008551 0.003791 -0.002231 35O 1f+2 -0.024597 -0.011844 -0.020770 0.000845 0.024461 0.031086 35O 1f-2 0.002476 -0.010772 0.004061 0.016654 0.013053 0.016385 35O 1f+3 -0.009206 -0.025292 -0.014800 0.019748 0.023456 0.029822 35O 1f-3 -0.014556 -0.002231 -0.011833 -0.014193 0.014136 0.013487 516 517 518 519 520 521 3.26912 3.27241 3.27812 3.28239 3.28749 3.29334 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s -0.000248 0.000566 0.000370 -0.000446 -0.000117 0.001117 0Rh 2s 0.003375 -0.007179 -0.003312 0.003158 -0.001430 -0.005028 0Rh 3s 0.000561 -0.000975 0.000192 -0.000735 -0.001558 0.003595 0Rh 4s -0.018486 0.038840 0.017701 -0.016934 0.007546 0.027370 0Rh 5s 0.049686 -0.096964 -0.037078 0.032896 -0.024899 -0.043332 0Rh 6s -0.095812 0.153018 0.027940 -0.014023 0.058020 -0.021618 0Rh 7s 0.769389 -1.002247 -0.254157 0.001804 -0.391605 0.051626 0Rh 8s -0.063002 0.089275 0.115877 0.048080 0.039683 -0.222095 0Rh 1pz 0.002357 0.007665 -0.000310 -0.001844 -0.001074 -0.000797 0Rh 1px 0.002637 -0.000136 -0.000159 -0.000904 -0.003980 -0.001796 0Rh 1py 0.003389 -0.005982 -0.001317 0.000862 0.003369 0.002789 0Rh 2pz -0.009215 -0.028735 0.000785 0.007358 0.003983 0.002831 0Rh 2px -0.009348 -0.000508 0.000424 0.003564 0.014561 0.006596 0Rh 2py -0.012393 0.022719 0.004895 -0.003321 -0.012543 -0.010871 0Rh 3pz 0.023436 0.046570 0.007424 -0.022090 -0.005336 -0.000840 0Rh 3px 0.003041 0.023694 0.002460 -0.009560 -0.015211 -0.008110 0Rh 3py 0.013117 -0.042863 -0.007144 0.007404 0.018321 0.027208 0Rh 4pz -0.030377 0.031306 -0.042461 0.040515 -0.009121 -0.021781 0Rh 4px 0.067609 -0.107031 -0.008717 0.012059 -0.056474 -0.014266 0Rh 4py 0.045002 0.000878 -0.007934 -0.005813 0.022283 -0.034537 0Rh 5pz 0.058579 -0.127845 0.096598 -0.078972 0.014027 0.056180 0Rh 5px -0.186968 0.259605 -0.040019 -0.003710 0.158464 -0.003244 0Rh 5py -0.106176 0.047607 0.017999 0.006188 -0.060924 0.059783 0Rh 6pz 0.197626 0.789355 -0.112027 -0.117387 0.008122 -0.111027 0Rh 6px 0.893659 -0.826424 1.857686 -0.561038 -0.500363 1.117266 0Rh 6py -0.115561 -0.340490 0.008417 0.179112 0.444437 0.286185 0Rh 1dz2 -0.017602 -0.012323 0.003332 0.002589 -0.001401 0.021162 0Rh 1dxz -0.000445 -0.010709 0.024455 -0.003462 -0.008704 0.019993 0Rh 1dyz 0.015604 0.007825 0.006879 -0.009691 -0.002754 0.002019 0Rh 1dx2y2 -0.012679 0.001183 -0.025817 0.012475 0.003322 -0.021799 0Rh 1dxy -0.000228 -0.003963 -0.007633 0.002292 0.004097 -0.006713 0Rh 2dz2 -0.002112 -0.002511 -0.002321 -0.001387 -0.000005 0.000729 0Rh 2dxz 0.000954 -0.001932 0.002859 0.000204 -0.000569 0.000521 0Rh 2dyz 0.001367 0.000577 -0.002881 -0.006734 -0.000601 0.000546 0Rh 2dx2y2 -0.002946 0.001313 -0.002305 0.000224 0.000430 0.001600 0Rh 2dxy -0.000841 -0.000487 -0.001809 -0.002158 -0.000025 0.000457 0Rh 3dz2 0.067475 0.051864 -0.000320 -0.002027 0.004693 -0.073017 0Rh 3dxz -0.002769 0.043764 -0.093330 0.010466 0.031134 -0.068112 0Rh 3dyz -0.056872 -0.028104 -0.009157 0.062998 0.011787 -0.009141 0Rh 3dx2y2 0.054883 -0.009684 0.095277 -0.041916 -0.012911 0.064317 0Rh 3dxy 0.004776 0.015415 0.033485 0.002456 -0.013258 0.019916 0Rh 4dz2 -0.066125 -0.060344 -0.027084 -0.018941 -0.004692 0.053049 0Rh 4dxz 0.011389 -0.045587 0.089007 -0.004399 -0.023727 0.044319 0Rh 4dyz 0.041960 0.020275 -0.032987 -0.126197 -0.014127 0.013609 0Rh 4dx2y2 -0.065221 0.019507 -0.085130 0.025649 0.014527 -0.017977 0Rh 4dxy -0.015845 -0.017581 -0.044148 -0.030444 0.005558 -0.004103 0Rh 5dz2 0.041540 0.042161 0.124905 0.118485 0.022685 0.058350 0Rh 5dxz -0.015306 -0.020076 0.015038 -0.019996 -0.031228 0.126933 0Rh 5dyz 0.094164 0.039754 0.187643 0.377816 0.017338 -0.057954 0Rh 5dx2y2 0.019801 -0.010272 -0.044132 0.088366 -0.034938 -0.213048 0Rh 5dxy 0.068228 0.044309 0.058147 0.158233 0.043846 -0.101848 0Rh 1f0 -0.004738 0.016445 0.016428 0.008424 -0.008491 0.007948 0Rh 1f+1 -0.000521 -0.016737 -0.001718 0.001735 -0.007197 -0.007809 0Rh 1f-1 -0.010244 -0.006673 0.015566 0.014097 -0.005792 -0.007416 0Rh 1f+2 0.009895 0.037681 -0.028353 0.003230 0.001007 -0.056133 0Rh 1f-2 -0.022132 0.012308 -0.011635 -0.020190 -0.003907 -0.022526 0Rh 1f+3 0.006483 -0.032638 -0.014553 0.021096 0.006959 -0.002470 0Rh 1f-3 0.006838 0.007529 0.006375 0.015251 0.002397 -0.035707 1Rh 1s -0.000240 0.000562 -0.000306 0.000420 -0.000115 -0.001139 1Rh 2s 0.003347 -0.007203 0.002540 -0.002999 -0.001504 0.005220 1Rh 3s 0.000593 -0.001012 -0.000282 0.000678 -0.001591 -0.003609 1Rh 4s -0.018326 0.038967 -0.013587 0.016111 0.007937 -0.028330 1Rh 5s 0.049479 -0.097406 0.027751 -0.031799 -0.025866 0.044406 1Rh 6s -0.096131 0.154046 -0.017975 0.016520 0.059277 0.026407 1Rh 7s 0.762871 -1.020536 0.228368 -0.046719 -0.398662 -0.132007 1Rh 8s -0.058209 0.105889 -0.119105 -0.035716 0.047584 0.237883 1Rh 1pz -0.002311 -0.007539 -0.000962 -0.001940 0.001237 -0.001472 1Rh 1px -0.002597 0.000208 -0.000181 -0.000753 0.003973 -0.001728 1Rh 1py -0.003343 0.006000 -0.001074 0.000571 -0.003247 0.002102 1Rh 2pz 0.009055 0.028278 0.003257 0.007692 -0.004604 0.005275 1Rh 2px 0.009204 0.000245 0.000552 0.003028 -0.014536 0.006375 1Rh 2py 0.012226 -0.022773 0.003945 -0.002242 0.012074 -0.008254 1Rh 3pz -0.023416 -0.046161 0.002810 -0.022055 0.006575 -0.002881 1Rh 3px -0.002921 -0.023279 0.001211 -0.009377 0.015237 -0.008534 1Rh 3py -0.012927 0.042627 -0.004683 0.005909 -0.017271 0.022133 1Rh 4pz 0.031706 -0.029284 -0.042351 0.037502 0.008637 -0.033340 1Rh 4px -0.067173 0.106957 -0.004057 0.015953 0.056008 -0.010123 1Rh 4py -0.044528 0.000644 -0.011057 -0.008044 -0.023158 -0.033577 1Rh 5pz -0.061718 0.122756 0.100948 -0.071895 -0.013763 0.083204 1Rh 5px 0.188137 -0.256007 -0.049810 -0.014733 -0.156368 -0.016589 1Rh 5py 0.105419 -0.050545 0.021612 0.011842 0.062027 0.062389 1Rh 6pz -0.191619 -0.772608 -0.151267 -0.134455 0.002443 -0.146295 1Rh 6px -0.962021 0.709513 1.856367 -0.507252 0.466922 1.222464 1Rh 6py 0.108003 0.331777 0.048469 0.141147 -0.425131 0.190599 1Rh 1dz2 -0.016777 -0.011502 -0.004859 -0.002315 -0.001650 -0.020137 1Rh 1dxz 0.000573 -0.008902 -0.025506 0.003477 -0.008045 -0.019666 1Rh 1dyz 0.015414 0.007941 -0.005900 0.009400 -0.002863 -0.003300 1Rh 1dx2y2 -0.013605 -0.000283 0.025581 -0.012277 0.003392 0.021803 1Rh 1dxy -0.000311 -0.003975 0.007418 -0.002229 0.003575 0.007767 1Rh 2dz2 -0.002125 -0.002574 0.002123 0.001355 -0.000133 -0.000559 1Rh 2dxz 0.001050 -0.001705 -0.002931 -0.000252 -0.000424 -0.000675 1Rh 2dyz 0.001188 0.000339 0.002999 0.006543 -0.000835 -0.000868 1Rh 2dx2y2 -0.002980 0.001191 0.002228 -0.000128 0.000385 -0.001388 1Rh 2dxy -0.000855 -0.000551 0.001706 0.002110 -0.000184 -0.000258 1Rh 3dz2 0.064834 0.049464 0.006243 0.001280 0.006097 0.068859 1Rh 3dxz -0.006540 0.036806 0.097094 -0.010293 0.028305 0.067749 1Rh 3dyz -0.055428 -0.027382 0.005426 -0.061162 0.013230 0.014815 1Rh 3dx2y2 0.058069 -0.004325 -0.094150 0.040827 -0.012925 -0.065299 1Rh 3dxy 0.005115 0.015758 -0.032292 -0.002433 -0.010803 -0.024289 1Rh 4dz2 -0.064721 -0.059683 0.021144 0.018915 -0.007083 -0.048324 1Rh 4dxz 0.014635 -0.038890 -0.091837 0.003667 -0.020319 -0.046212 1Rh 4dyz 0.038974 0.016861 0.036225 0.122690 -0.018111 -0.020692 1Rh 4dx2y2 -0.067465 0.014882 0.083594 -0.023892 0.013810 0.020858 1Rh 4dxy -0.016253 -0.018660 0.041919 0.029578 0.001998 0.008844 1Rh 5dz2 0.045432 0.048749 -0.121409 -0.116105 0.028371 -0.067099 1Rh 5dxz -0.012155 -0.018792 -0.018936 0.022087 -0.034093 -0.116396 1Rh 5dyz 0.099033 0.049528 -0.184124 -0.369636 0.031987 0.065509 1Rh 5dx2y2 0.015125 -0.014145 0.044051 -0.089659 -0.031184 0.212134 1Rh 5dxy 0.067492 0.046079 -0.050707 -0.151847 0.051333 0.102225 1Rh 1f0 0.003933 -0.017207 0.015647 0.008496 0.007547 0.006943 1Rh 1f+1 0.000298 0.016285 -0.000043 0.002317 0.006595 -0.006303 1Rh 1f-1 0.009396 0.005551 0.016929 0.014653 0.004380 -0.004064 1Rh 1f+2 -0.007894 -0.034929 -0.031664 0.003064 -0.000068 -0.056655 1Rh 1f-2 0.022191 -0.011114 -0.012176 -0.019151 0.004331 -0.021649 1Rh 1f+3 -0.006369 0.032093 -0.012292 0.020896 -0.007172 -0.002911 1Rh 1f-3 -0.006750 -0.007582 0.005175 0.014879 -0.003528 -0.035259 2C 1s 0.012558 -0.001908 -0.004592 0.000827 -0.003700 0.002816 2C 2s 0.036772 -0.005176 -0.013714 0.002271 -0.011259 0.008692 2C 3s 0.355010 -0.196089 0.124693 0.046586 -0.087654 0.002787 2C 4s -3.361743 1.240584 0.242063 -0.439842 0.856109 0.092253 2C 5s -1.243941 -0.952306 0.094705 -0.314801 0.329587 -0.397902 2C 1pz 0.058194 -0.029989 0.069932 0.005150 -0.011762 0.012082 2C 1px 0.070869 -0.032516 0.000391 0.000701 -0.039203 0.028628 2C 1py 0.047631 -0.044411 0.026314 0.018692 -0.012914 0.006315 2C 2pz -1.596379 0.385977 0.097074 -0.408769 0.360469 0.029586 2C 2px -0.565608 0.336116 0.141853 0.080598 0.298860 -0.084856 2C 2py -0.913459 1.025678 0.080487 -0.043266 0.236565 0.578096 2C 3pz -0.581610 -0.162198 -0.037801 -0.038619 0.104524 -0.117759 2C 3px -0.126313 0.024581 0.072903 -0.112104 0.090851 -0.033746 2C 3py -0.350564 -0.095254 0.075905 -0.128978 0.145653 -0.088493 2C 1dz2 0.086578 -0.028307 0.037930 0.013749 -0.040107 0.109055 2C 1dxz -0.053132 -0.038593 0.033351 -0.009815 0.005277 0.007550 2C 1dyz 0.176104 -0.045724 0.035742 0.020071 -0.056651 0.038286 2C 1dx2y2 -0.073192 -0.066970 0.019348 0.007596 -0.021924 0.040039 2C 1dxy -0.039232 -0.093479 0.072905 -0.059102 -0.006706 -0.025886 2C 2dz2 -0.440806 0.008365 -0.055620 -0.130310 0.085609 -0.148468 2C 2dxz -0.278215 0.235562 0.249771 -0.032227 0.126800 0.147364 2C 2dyz -0.716822 0.529596 -0.064378 -0.085575 0.233479 0.076116 2C 2dx2y2 0.205640 0.001504 -0.107793 0.045981 0.052001 -0.242088 2C 2dxy -0.303356 0.039551 0.014075 0.033580 0.114909 -0.069095 2C 1f0 0.015468 0.053475 -0.024815 -0.003787 0.009122 -0.020383 2C 1f+1 -0.014277 0.221318 -0.022231 0.165535 0.016152 0.204347 2C 1f-1 -0.245547 0.130116 0.017641 -0.070797 0.070662 -0.025440 2C 1f+2 0.062482 -0.028771 0.009067 -0.158154 -0.039092 -0.069566 2C 1f-2 -0.123458 -0.082309 0.089385 -0.179785 0.022250 -0.127665 2C 1f+3 -0.068222 0.005473 0.009480 0.036466 0.043510 -0.027063 2C 1f-3 -0.237768 -0.179959 0.111054 -0.407112 0.007146 -0.205914 3C 1s -0.004099 -0.010386 -0.002890 0.001231 -0.004456 0.000949 3C 2s -0.012477 -0.030141 -0.009238 0.003270 -0.013508 0.001433 3C 3s 0.044214 -0.301451 0.050098 0.079027 -0.018751 0.288040 3C 4s 0.256070 2.806479 0.302369 -0.728846 0.618303 -1.238643 3C 5s 1.983875 0.166790 0.835023 -0.333209 0.314567 -0.264938 3C 1pz 0.013905 -0.009873 0.022111 -0.000849 0.009030 0.058653 3C 1px 0.023876 -0.056310 -0.051768 0.018851 -0.064576 0.012773 3C 1py -0.004330 0.049634 -0.037148 -0.009985 -0.018860 -0.100502 3C 2pz -0.269254 0.717398 -0.000449 -0.372054 0.067497 -0.469516 3C 2px -0.448245 0.838389 0.395249 -0.359046 0.686005 0.081672 3C 2py -0.179260 -1.238642 -0.121143 0.275079 -0.098193 0.622073 3C 3pz 0.311697 0.094141 0.143774 -0.158989 -0.010974 -0.054988 3C 3px 0.196484 0.201215 0.268213 0.066538 0.233351 -0.061529 3C 3py -0.508200 -0.276001 -0.115759 0.141180 -0.066637 0.208572 3C 1dz2 -0.126060 0.008302 -0.092173 0.039697 -0.028293 -0.040030 3C 1dxz -0.048269 -0.016828 0.052718 0.038519 0.050487 0.020219 3C 1dyz 0.058233 0.132713 0.050806 -0.033587 0.054233 -0.079228 3C 1dx2y2 0.051185 0.014083 -0.014112 0.012547 -0.010837 -0.078386 3C 1dxy -0.067625 0.080622 0.005741 0.007425 0.023592 -0.014863 3C 2dz2 -0.045803 -0.174271 0.021076 -0.060757 -0.022574 0.036613 3C 2dxz 0.082579 0.204408 0.026021 -0.173854 -0.021564 0.001355 3C 2dyz 0.041953 -0.544616 0.014855 0.084626 -0.086229 0.402857 3C 2dx2y2 -0.070251 -0.245181 0.056038 0.079190 0.127338 0.226462 3C 2dxy 0.248522 -0.543140 -0.301879 0.198194 -0.390743 -0.054984 3C 1f0 -0.042132 -0.068176 -0.095447 -0.103749 -0.124752 0.094441 3C 1f+1 0.215053 -0.164460 0.319458 0.323683 0.388175 -0.261491 3C 1f-1 -0.050451 -0.097373 0.046482 0.060905 0.058590 -0.029640 3C 1f+2 -0.021008 -0.069264 -0.049100 -0.063654 -0.128564 0.092475 3C 1f-2 0.007416 -0.201448 0.138310 0.218306 0.248118 -0.139751 3C 1f+3 -0.060724 0.118210 0.139782 0.007951 0.214309 -0.086722 3C 1f-3 0.080268 -0.150880 0.111019 0.136085 0.147791 -0.020712 4C 1s 0.001997 0.003620 0.002768 0.000765 -0.000148 0.000445 4C 2s 0.006158 0.009902 0.008242 0.002326 -0.000029 0.000786 4C 3s -0.287810 0.125776 -0.238485 -0.021903 0.095841 -0.126278 4C 4s 1.750116 -0.800025 0.521075 0.273634 -0.432495 0.203794 4C 5s 0.257645 0.094763 -0.492733 0.334716 -0.139294 0.050953 4C 1pz 0.096965 -0.058281 -0.062033 0.049154 -0.004359 -0.042045 4C 1px -0.077351 -0.027200 0.052346 -0.076852 0.023218 -0.035961 4C 1py 0.033765 0.007246 -0.015069 -0.022085 -0.006002 -0.004008 4C 2pz -1.957144 0.814806 0.219738 -0.609211 0.393940 0.240267 4C 2px -0.275392 0.497540 0.064911 0.587432 0.197160 0.274549 4C 2py -1.190733 0.613394 0.101387 0.066902 0.364182 0.168251 4C 3pz -1.379196 -0.898667 0.131930 -0.226359 0.307659 -0.254273 4C 3px 0.045886 -0.216845 -0.471174 0.347745 -0.026937 -0.199434 4C 3py -0.889605 -0.650952 -0.161356 -0.025685 0.163669 -0.276908 4C 1dz2 -0.153994 0.239966 0.053820 0.028591 0.021308 0.196112 4C 1dxz -0.012873 -0.039109 -0.108106 -0.028825 -0.014289 -0.034823 4C 1dyz -0.145617 -0.026756 0.051634 -0.057353 0.078245 -0.092782 4C 1dx2y2 0.159282 0.016509 -0.074930 0.011455 -0.016228 -0.006032 4C 1dxy 0.160275 0.100984 -0.157123 0.080321 -0.086084 0.046043 4C 2dz2 0.911692 -0.606462 -0.610153 -0.113679 -0.295941 -0.564099 4C 2dxz 0.157956 0.072664 0.150640 0.337544 0.170813 -0.261732 4C 2dyz 0.885455 -0.377654 -0.309285 0.157296 -0.271532 -0.135635 4C 2dx2y2 -0.814271 -0.215774 0.642427 -0.313364 0.141329 0.105697 4C 2dxy -0.265746 0.314105 0.473237 0.297603 0.179435 0.465505 4C 1f0 0.095123 0.254250 -0.074609 0.112935 -0.015284 0.167401 4C 1f+1 0.122798 0.039657 -0.064565 0.063122 0.014846 -0.090095 4C 1f-1 -0.280580 0.009973 0.017761 -0.133726 0.093094 -0.149807 4C 1f+2 -0.018430 -0.082605 0.084761 -0.190262 -0.030225 -0.000797 4C 1f-2 -0.073276 0.020397 -0.000536 0.005155 -0.015245 0.027021 4C 1f+3 -0.033636 0.136325 -0.052505 0.108134 -0.014210 0.190349 4C 1f-3 -0.049393 -0.127446 -0.007478 -0.183117 -0.019416 -0.140453 5C 1s -0.005622 0.001029 -0.000572 0.002124 0.001278 0.003139 5C 2s -0.015700 0.002604 -0.000706 0.005788 0.003835 0.010008 5C 3s 0.011081 0.219734 -0.140096 0.012647 0.025436 -0.360398 5C 4s 0.076472 -1.433156 0.388760 0.101341 -0.209679 1.416606 5C 5s -0.289312 -0.213880 -0.182980 0.010436 -0.467592 0.187005 5C 1pz -0.021889 -0.033617 -0.041895 -0.004259 -0.026494 0.007753 5C 1px 0.019059 -0.060115 0.144569 0.088849 0.170332 -0.050415 5C 1py -0.031232 0.059437 0.035195 -0.006305 0.055162 -0.036492 5C 2pz 0.098759 0.811930 0.185332 -0.122984 0.119659 -0.545973 5C 2px -0.463904 1.181773 -0.276144 -1.053776 -0.315025 0.626066 5C 2py 0.012979 -1.483875 -0.399420 0.348813 -0.494250 0.870100 5C 3pz 1.176204 0.259988 0.487292 -0.062758 0.303796 -0.232364 5C 3px 0.696041 -0.069564 -0.414095 -0.386582 -0.800416 0.036386 5C 3py -1.937712 -0.338038 -0.822925 0.401206 -0.135249 0.059911 5C 1dz2 0.175446 0.018215 0.131053 0.012067 0.012312 0.108433 5C 1dxz 0.021934 0.057997 -0.064261 -0.055542 -0.115565 -0.014162 5C 1dyz 0.033545 -0.117626 -0.071405 0.016400 -0.094870 -0.042887 5C 1dx2y2 0.020859 -0.189164 -0.153053 0.095564 -0.178711 -0.013308 5C 1dxy -0.096169 -0.006004 0.118322 -0.052482 0.183459 0.120553 5C 2dz2 -0.105455 -0.179968 -0.402930 0.255309 -0.236479 -0.511550 5C 2dxz -0.605385 -0.038555 -0.088906 -0.153494 0.263288 0.279028 5C 2dyz -0.204425 0.821828 0.288506 -0.283931 0.440677 0.206516 5C 2dx2y2 -0.058029 1.125342 0.686055 -0.833185 0.560382 0.598145 5C 2dxy 0.295255 0.084395 -0.217958 0.270988 -0.269540 -0.686274 5C 1f0 0.010768 -0.142368 -0.084857 0.067696 -0.110281 0.072093 5C 1f+1 0.037212 -0.123682 0.083031 0.191114 0.198387 -0.108317 5C 1f-1 -0.134158 -0.024093 -0.028354 -0.047282 0.037569 0.005909 5C 1f+2 -0.096702 -0.122592 -0.083188 -0.068978 -0.122915 0.098540 5C 1f-2 0.101799 -0.173424 0.196008 0.153402 0.155430 -0.083278 5C 1f+3 0.072791 -0.075524 0.026993 0.134816 0.005212 -0.116727 5C 1f-3 0.202330 -0.043837 0.084780 0.010639 -0.015855 -0.005261 6C 1s -0.005605 0.001154 0.000463 -0.001932 0.001284 -0.002677 6C 2s -0.015636 0.003039 0.000452 -0.005273 0.003903 -0.008746 6C 3s 0.004997 0.202795 0.145519 -0.010334 0.020641 0.365005 6C 4s 0.098380 -1.367776 -0.428397 -0.137603 -0.200874 -1.479363 6C 5s -0.280547 -0.217149 0.133511 -0.029785 -0.491330 -0.167362 6C 1pz 0.023272 0.036233 -0.038198 -0.001804 0.028250 0.007529 6C 1px -0.023231 0.048939 0.140721 0.081835 -0.175368 -0.044561 6C 1py 0.031266 -0.060022 0.033164 -0.010771 -0.057335 -0.039954 6C 2pz -0.089616 -0.799605 0.151596 -0.147528 -0.138011 -0.555994 6C 2px 0.462137 -1.151932 -0.320160 -1.055466 0.348190 0.540455 6C 2py -0.026410 1.466440 -0.335794 0.395636 0.531303 0.907916 6C 3pz -1.172506 -0.283316 0.415551 -0.058740 -0.338181 -0.115215 6C 3px -0.676048 0.108438 -0.407988 -0.338289 0.805938 0.067432 6C 3py 1.934359 0.374627 -0.708949 0.376899 0.183416 -0.100322 6C 1dz2 0.184946 0.028752 -0.120097 -0.012394 0.020120 -0.113755 6C 1dxz 0.016651 0.051291 0.063533 0.050515 -0.116766 0.009263 6C 1dyz 0.029023 -0.122374 0.061831 -0.022430 -0.096101 0.037656 6C 1dx2y2 0.018714 -0.197494 0.137331 -0.106784 -0.181287 0.009181 6C 1dxy -0.090882 0.005301 -0.110310 0.059467 0.179082 -0.125033 6C 2dz2 -0.127849 -0.210281 0.368416 -0.264562 -0.241243 0.510654 6C 2dxz -0.600034 -0.032412 0.090809 0.163840 0.224400 -0.243691 6C 2dyz -0.188082 0.838044 -0.234406 0.315494 0.445169 -0.164886 6C 2dx2y2 -0.042061 1.159710 -0.596909 0.878218 0.567555 -0.561459 6C 2dxy 0.262125 0.049449 0.197146 -0.274690 -0.250045 0.667006 6C 1f0 -0.014652 0.144191 -0.075194 0.076725 0.109509 0.070625 6C 1f+1 -0.040002 0.115344 0.084717 0.187805 -0.205256 -0.098349 6C 1f-1 0.136889 0.026585 -0.021262 -0.048176 -0.034874 -0.001623 6C 1f+2 0.099550 0.126955 -0.069401 -0.067066 0.134762 0.095140 6C 1f-2 -0.108571 0.160812 0.197798 0.147703 -0.167351 -0.072377 6C 1f+3 -0.075319 0.073163 0.031409 0.134445 -0.015054 -0.117074 6C 1f-3 -0.206736 0.040084 0.082747 0.014864 0.003745 0.000937 7C 1s 0.002137 0.003885 -0.002516 -0.000749 0.000056 -0.000470 7C 2s 0.006575 0.010725 -0.007451 -0.002318 0.000586 -0.000865 7C 3s -0.300475 0.108488 0.227640 0.038651 0.084196 0.152488 7C 4s 1.782631 -0.765528 -0.468020 -0.353900 -0.385610 -0.358862 7C 5s 0.252366 0.043218 0.483561 -0.299413 -0.150575 0.019449 7C 1pz -0.094099 0.063544 -0.063403 0.047532 0.002707 -0.057278 7C 1px 0.075259 0.021860 0.055078 -0.068633 -0.022805 -0.014104 7C 1py -0.033970 -0.008132 -0.016086 -0.018779 0.007600 0.021377 7C 2pz 1.953719 -0.833913 0.260726 -0.649130 -0.354245 0.204151 7C 2px 0.285858 -0.481384 0.016834 0.544470 -0.205627 0.148729 7C 2py 1.206230 -0.612008 0.100848 0.015459 -0.357986 -0.033209 7C 3pz 1.383134 0.870856 0.171960 -0.178870 -0.303859 -0.223520 7C 3px -0.018575 0.252066 -0.465357 0.308454 0.028235 -0.347994 7C 3py 0.907653 0.654359 -0.120503 -0.012739 -0.156762 -0.286389 7C 1dz2 -0.146522 0.253836 -0.043961 -0.032348 0.014249 -0.241280 7C 1dxz -0.017326 -0.045580 0.099430 0.038839 -0.018875 0.056767 7C 1dyz -0.148290 -0.028847 -0.056004 0.063657 0.081976 0.128487 7C 1dx2y2 0.157352 0.011769 0.076374 -0.011202 -0.018588 -0.021716 7C 1dxy 0.158747 0.096902 0.161497 -0.074201 -0.091371 -0.043656 7C 2dz2 0.885083 -0.652027 0.572139 0.115046 -0.298396 0.552072 7C 2dxz 0.144194 0.057583 -0.111086 -0.346052 0.195631 0.251311 7C 2dyz 0.880304 -0.401551 0.313650 -0.175459 -0.270311 0.084458 7C 2dx2y2 -0.802849 -0.186661 -0.665552 0.306928 0.154378 -0.050765 7C 2dxy -0.248385 0.345722 -0.427179 -0.314160 0.189460 -0.507861 7C 1f0 -0.100692 -0.260023 -0.091372 0.113569 0.021662 0.203490 7C 1f+1 -0.118399 -0.032588 -0.070562 0.057412 -0.019258 -0.116926 7C 1f-1 0.283454 -0.012535 0.024235 -0.132907 -0.090988 -0.147482 7C 1f+2 0.014685 0.078485 0.094153 -0.180057 0.034373 0.054256 7C 1f-2 0.072932 -0.021172 0.002954 0.000092 0.018394 0.042493 7C 1f+3 0.029023 -0.145826 -0.060440 0.109875 0.018896 0.177636 7C 1f-3 0.050519 0.127497 0.008484 -0.173617 0.022448 -0.082288 8C 1s -0.004042 -0.010590 0.001974 -0.001525 -0.004823 -0.000821 8C 2s -0.012330 -0.030835 0.006499 -0.004126 -0.014616 -0.000997 8C 3s 0.049638 -0.287432 -0.056690 -0.084556 -0.018236 -0.299008 8C 4s 0.229226 2.767798 -0.160273 0.797748 0.660041 1.291631 8C 5s 1.977600 0.199820 -0.723724 0.311963 0.373913 0.085038 8C 1pz -0.015562 0.006555 0.019677 -0.001278 -0.009168 0.059514 8C 1px -0.021182 0.059222 -0.045794 0.022129 0.065029 0.016786 8C 1py 0.006389 -0.044102 -0.035725 -0.009993 0.019762 -0.101227 8C 2pz 0.293093 -0.688125 -0.010699 -0.395148 -0.071052 -0.503802 8C 2px 0.435684 -0.856803 0.331803 -0.398633 -0.674930 0.041229 8C 2py 0.174121 1.212761 -0.074851 0.301153 0.121805 0.658076 8C 3pz -0.310916 -0.095706 0.124768 -0.154036 0.000574 -0.041713 8C 3px -0.199582 -0.216252 0.234701 0.058156 -0.246839 -0.044423 8C 3py 0.499411 0.274047 -0.079437 0.138045 0.081300 0.164413 8C 1dz2 -0.127365 0.003993 0.082230 -0.038146 -0.031512 0.045012 8C 1dxz -0.042651 -0.012438 -0.051977 -0.036119 0.051788 -0.017197 8C 1dyz 0.056807 0.133965 -0.039916 0.036713 0.058278 0.078535 8C 1dx2y2 0.052149 0.011957 0.014366 -0.012012 -0.007609 0.077367 8C 1dxy -0.068037 0.079259 -0.001545 -0.007698 0.021263 0.018481 8C 2dz2 -0.049962 -0.176735 -0.028033 0.058481 -0.027432 -0.037056 8C 2dxz 0.081365 0.202074 -0.019699 0.176553 -0.017694 0.002124 8C 2dyz 0.053831 -0.529638 -0.033293 -0.097067 -0.092852 -0.422680 8C 2dx2y2 -0.064921 -0.227699 -0.055320 -0.080502 0.119726 -0.233602 8C 2dxy 0.240028 -0.555608 0.261926 -0.223595 -0.389280 0.028038 8C 1f0 0.043867 0.076618 -0.084365 -0.093590 0.128452 0.090489 8C 1f+1 -0.225797 0.143873 0.312273 0.315225 -0.415877 -0.239308 8C 1f-1 0.045671 0.095244 0.056281 0.062267 -0.066391 -0.030958 8C 1f+2 0.022559 0.069781 -0.046267 -0.063121 0.140974 0.092544 8C 1f-2 -0.010312 0.188946 0.139871 0.209276 -0.252691 -0.124302 8C 1f+3 0.060546 -0.126119 0.129397 -0.006123 -0.216421 -0.089581 8C 1f-3 -0.086828 0.140619 0.112807 0.136984 -0.159193 -0.012931 9C 1s 0.012457 -0.002458 0.004557 -0.000625 -0.003851 -0.003010 9C 2s 0.036463 -0.006867 0.013547 -0.001647 -0.011749 -0.009248 9C 3s 0.363195 -0.184451 -0.115439 -0.065649 -0.076103 -0.036792 9C 4s -3.372464 1.265764 -0.285684 0.517569 0.816513 0.120265 9C 5s -1.268054 -0.927189 -0.133234 0.257189 0.325146 0.316245 9C 1pz -0.061459 0.023903 0.064915 0.011083 0.007956 0.023383 9C 1px -0.072785 0.031446 0.003093 0.000377 0.038572 0.029264 9C 1py -0.050790 0.041961 0.026147 0.021253 0.010553 0.003793 9C 2pz 1.608977 -0.374245 0.150444 -0.468513 -0.338697 -0.146892 9C 2px 0.568035 -0.330615 0.120189 0.077837 -0.303897 -0.097495 9C 2py 0.909007 -1.051491 0.054670 -0.071158 -0.208526 0.587602 9C 3pz 0.589030 0.156292 -0.020432 -0.034220 -0.098585 -0.131105 9C 3px 0.121261 -0.033650 0.067170 -0.100258 -0.088043 -0.002591 9C 3py 0.356767 0.089377 0.076852 -0.122899 -0.145675 -0.090388 9C 1dz2 0.092283 -0.023743 -0.033011 -0.017758 -0.039864 -0.115429 9C 1dxz -0.052123 -0.032794 -0.033877 0.005291 0.004893 -0.012875 9C 1dyz 0.178531 -0.045689 -0.036476 -0.022506 -0.053151 -0.048192 9C 1dx2y2 -0.070245 -0.059299 -0.023706 -0.010439 -0.022644 -0.034827 9C 1dxy -0.039452 -0.091207 -0.077332 0.053305 -0.006118 0.019238 9C 2dz2 -0.448571 -0.006299 0.028359 0.153532 0.081014 0.234353 9C 2dxz -0.268981 0.244494 -0.236269 0.032025 0.128077 -0.151666 9C 2dyz -0.723192 0.533262 0.069795 0.110597 0.216383 -0.045620 9C 2dx2y2 0.204674 -0.010170 0.120950 -0.051149 0.055248 0.223506 9C 2dxy -0.308262 0.040004 -0.017443 -0.027987 0.119774 0.103914 9C 1f0 -0.013339 -0.048371 -0.025275 -0.008021 -0.008689 -0.028153 9C 1f+1 0.010142 -0.226099 -0.038588 0.159645 -0.014544 0.166332 9C 1f-1 0.242830 -0.138355 0.018232 -0.070098 -0.066483 -0.007631 9C 1f+2 -0.066963 0.026152 0.013785 -0.141116 0.044912 0.026601 9C 1f-2 0.126658 0.083518 0.102987 -0.180259 -0.020846 -0.080508 9C 1f+3 0.065071 -0.008144 0.005032 0.042087 -0.048435 -0.078276 9C 1f-3 0.235368 0.175588 0.136401 -0.386389 0.000997 -0.090280 10H 1s 0.002419 0.005429 0.036168 0.007713 -0.017198 0.061654 10H 2s 0.242941 -0.160674 0.086847 -0.091984 -0.146543 0.207729 10H 3s -0.103075 0.059595 -0.020370 0.056085 -0.013436 0.032532 10H 1pz 0.111577 0.011274 -0.035226 0.085548 -0.053210 0.135746 10H 1px -0.097746 0.062294 -0.052802 0.064012 0.031405 -0.033374 10H 1py -0.041508 -0.121711 0.067683 -0.219580 -0.016991 -0.109252 11H 1s -0.088921 0.022507 -0.051645 0.005249 0.012924 -0.000439 11H 2s 0.177850 -0.281615 -0.058167 -0.012292 -0.020917 -0.191013 11H 3s -0.057989 0.124753 -0.021750 0.048264 -0.021908 0.074904 11H 1pz -0.021242 -0.197664 0.054234 -0.108555 -0.002831 -0.137979 11H 1px 0.146265 -0.028691 -0.046071 0.102543 -0.006943 0.000650 11H 1py -0.144204 0.002106 0.004843 0.051460 0.066912 -0.057807 12H 1s -0.045112 0.015937 0.007724 -0.045114 0.042955 -0.080379 12H 2s 0.423984 0.396390 -0.083116 0.166233 -0.080056 0.354140 12H 3s -0.083740 -0.038547 0.049025 -0.081930 0.080810 -0.112988 12H 1pz -0.079066 0.146792 0.005111 0.021468 0.047394 0.029752 12H 1px 0.003365 0.012465 -0.017885 -0.134743 -0.015839 -0.040773 12H 1py 0.246662 0.180526 -0.030488 0.167285 -0.049204 0.234273 13H 1s -0.019411 0.002589 -0.011396 -0.017365 0.001621 0.028574 13H 2s 0.051562 -0.302152 -0.065781 -0.048920 -0.324085 0.068074 13H 3s -0.070346 0.089758 -0.056500 -0.074640 0.001127 -0.012323 13H 1pz 0.067598 -0.182050 0.135310 0.130250 0.080020 -0.058787 13H 1px 0.051337 0.043078 0.041778 0.076973 0.097163 -0.108190 13H 1py 0.029249 0.003662 0.141528 0.117230 0.228617 -0.038574 14H 1s 0.008518 0.017610 0.038583 0.019262 0.018828 -0.021983 14H 2s -0.488513 -0.094830 0.027766 -0.103979 0.127296 0.182023 14H 3s 0.071383 0.082855 0.024568 0.047782 -0.037779 -0.026980 14H 1pz -0.174963 0.033483 -0.120788 -0.184358 -0.151766 0.201211 14H 1px -0.133033 -0.115191 0.056999 0.051984 0.123211 -0.014328 14H 1py 0.071773 -0.090554 -0.090726 0.001661 -0.157898 0.030520 15H 1s 0.011640 0.061278 -0.007919 -0.010175 0.022990 -0.086675 15H 2s 0.080038 -0.211991 -0.026804 0.164202 -0.106202 0.174199 15H 3s -0.092803 0.138025 -0.079643 -0.021848 0.006593 -0.064426 15H 1pz 0.095483 0.135225 0.051046 -0.008075 0.067682 -0.040179 15H 1px -0.005951 0.067090 -0.103646 -0.094492 -0.187410 0.113291 15H 1py -0.103770 0.111338 -0.058072 -0.124155 -0.035074 -0.057051 16H 1s 0.000086 -0.013415 0.032989 -0.020508 0.004063 0.041823 16H 2s 0.195932 -0.262959 0.250624 -0.146830 -0.170392 0.229708 16H 3s -0.027482 0.079005 -0.079713 -0.004075 0.032482 -0.023096 16H 1pz 0.076285 -0.112775 0.107886 -0.066777 -0.059392 0.109793 16H 1px 0.001572 -0.005662 0.022572 0.004773 -0.002012 0.023402 16H 1py 0.008879 -0.016872 0.014778 -0.022582 -0.011463 0.020756 17H 1s 0.007870 -0.017044 0.017324 0.013579 0.004847 0.021012 17H 2s 0.217161 -0.233063 0.377459 -0.076923 -0.157787 0.219733 17H 3s -0.063247 0.023592 -0.148119 0.045138 -0.010577 -0.053538 17H 1pz -0.070636 0.070737 -0.127558 0.030801 0.040530 -0.093183 17H 1px -0.049675 0.069672 -0.085734 0.000640 0.041771 -0.039865 17H 1py 0.029366 -0.029033 0.059914 0.004474 -0.010193 0.028352 18H 1s 0.009372 -0.015182 -0.019539 -0.012612 0.004649 -0.021257 18H 2s 0.227031 -0.214707 -0.371935 0.059425 -0.148176 -0.254283 18H 3s -0.068399 0.014596 0.145453 -0.043997 -0.013014 0.064622 18H 1pz 0.076163 -0.064840 -0.128664 0.026774 -0.039258 -0.104413 18H 1px 0.051512 -0.065311 -0.085363 -0.003634 -0.039194 -0.046368 18H 1py -0.029325 0.023800 0.055991 0.006544 0.007389 0.030948 19H 1s 0.002104 -0.010310 -0.034534 0.020560 0.002971 -0.041882 19H 2s 0.203512 -0.254409 -0.250195 0.128379 -0.164889 -0.256875 19H 3s -0.031282 0.070831 0.083545 0.003828 0.028400 0.020408 19H 1pz -0.079608 0.107695 0.108355 -0.059365 0.057984 0.120052 19H 1px -0.002475 0.002463 0.022495 0.004052 0.001367 0.021300 19H 1py -0.011582 0.019221 0.018052 -0.022535 0.013102 0.024363 20H 1s 0.009501 0.058902 0.010693 0.011246 0.023513 0.084438 20H 2s 0.090806 -0.205343 0.015848 -0.173043 -0.109061 -0.169952 20H 3s -0.099677 0.131807 0.082655 0.024218 0.003405 0.065259 20H 1pz -0.094302 -0.138978 0.036725 -0.012136 -0.072500 -0.034123 20H 1px 0.007563 -0.060163 -0.104283 -0.087921 0.194669 0.105077 20H 1py 0.110906 -0.103224 -0.059137 -0.127260 0.041295 -0.063010 21H 1s 0.010893 0.019563 -0.035756 -0.017537 0.022313 0.026080 21H 2s -0.490314 -0.094994 -0.038223 0.110263 0.103903 -0.163037 21H 3s 0.074058 0.083788 -0.018227 -0.046562 -0.031467 0.039444 21H 1pz 0.180040 -0.024850 -0.114579 -0.180852 0.167552 0.188296 21H 1px 0.131689 0.111714 0.064342 0.048784 -0.121481 -0.016343 21H 1py -0.070933 0.096351 -0.080405 0.010586 0.157811 0.033625 22H 1s -0.020050 0.001620 0.009036 0.017352 0.000384 -0.030319 22H 2s 0.051812 -0.309924 0.031546 0.037939 -0.321446 -0.062744 22H 3s -0.072129 0.084715 0.057888 0.075046 -0.004113 0.018652 22H 1pz -0.074274 0.173758 0.142919 0.129888 -0.092577 -0.054182 22H 1px -0.050401 -0.046200 0.034617 0.073188 -0.102274 -0.101985 22H 1py -0.035242 -0.015828 0.129212 0.110303 -0.235284 -0.032741 23H 1s -0.048960 0.013916 -0.005479 0.045955 0.043398 0.083072 23H 2s 0.436865 0.400007 0.119729 -0.166320 -0.088385 -0.411767 23H 3s -0.085408 -0.041104 -0.050004 0.087090 0.083476 0.140300 23H 1pz 0.077978 -0.152391 -0.004762 0.023746 -0.045290 0.049050 23H 1px -0.002257 -0.011120 -0.013035 -0.128432 0.022888 0.028977 23H 1py -0.253136 -0.184586 -0.050652 0.162805 0.049791 0.232363 24H 1s -0.090735 0.021612 0.048160 -0.004111 0.008668 0.000791 24H 2s 0.169517 -0.301889 0.044227 0.020905 -0.011222 0.238814 24H 3s -0.052729 0.131259 0.025125 -0.046437 -0.026414 -0.072436 24H 1pz 0.022748 0.201214 0.068557 -0.105878 -0.001308 -0.128548 24H 1px -0.142973 0.037895 -0.051466 0.093245 0.002004 -0.055136 24H 1py 0.144817 -0.003710 0.001141 0.049659 -0.070567 -0.102242 25H 1s 0.005301 0.008187 -0.038150 -0.007645 -0.015850 -0.063497 25H 2s 0.245925 -0.160669 -0.099121 0.097452 -0.148655 -0.190269 25H 3s -0.102298 0.058561 0.017695 -0.050550 -0.013536 -0.014696 25H 1pz -0.111807 -0.009884 -0.036478 0.077678 0.053754 0.095229 25H 1px 0.097920 -0.063592 -0.054933 0.063235 -0.031699 -0.048793 25H 1py 0.042137 0.121913 0.080497 -0.212004 0.019656 -0.059815 26O 1s 0.019832 -0.010390 -0.027145 0.017408 -0.006040 -0.019107 26O 2s 0.067454 -0.036809 -0.095987 0.058732 -0.020842 -0.068343 26O 3s -0.519628 0.299807 0.791043 -0.397727 0.164391 0.586362 26O 4s 1.321437 -0.771829 -2.021848 0.595720 -0.434312 -1.512675 26O 5s 0.022735 0.602445 1.264957 -1.277471 0.016405 0.859219 26O 1pz -0.036798 -0.002069 -0.050788 -0.033070 0.030107 -0.083248 26O 1px 0.135380 -0.035326 0.057682 -0.050366 -0.035990 0.046968 26O 1py 0.083590 0.187765 -0.073129 0.148064 -0.025831 0.158881 26O 2pz 0.068180 0.044199 0.114774 0.105231 -0.071520 0.265801 26O 2px -0.412826 0.194910 0.199101 0.289789 0.128632 0.237782 26O 2py -0.271954 -0.417761 0.312935 -0.312685 0.078255 -0.273554 26O 3pz -0.020997 0.275313 -0.086120 -0.134479 0.071457 0.120276 26O 3px -0.116231 0.313706 -0.423654 0.238604 0.171631 -0.143730 26O 3py 0.008756 0.361959 -0.189613 0.051821 0.007745 0.065071 26O 1dz2 -0.013740 0.005034 0.005484 -0.004947 0.007034 -0.001422 26O 1dxz 0.005588 0.005031 -0.012252 0.007212 -0.000233 -0.002618 26O 1dyz -0.007987 0.001782 0.001352 -0.000433 0.000643 0.001114 26O 1dx2y2 0.009873 0.000730 0.000284 0.006113 -0.003860 0.009507 26O 1dxy 0.007450 -0.001767 -0.002174 -0.003850 -0.000480 -0.005441 26O 2dz2 -0.075725 -0.003515 -0.001200 -0.033245 0.024016 -0.021601 26O 2dxz -0.101082 -0.111781 -0.082021 -0.100363 0.024625 -0.225549 26O 2dyz -0.113178 0.008994 0.013585 -0.075732 0.035002 -0.047446 26O 2dx2y2 -0.059171 -0.193672 0.145294 -0.205258 -0.000602 -0.122031 26O 2dxy 0.005074 0.171155 -0.051535 0.112717 -0.007657 0.160161 26O 1f0 0.012734 0.005065 0.007432 0.000125 -0.003455 0.011087 26O 1f+1 -0.014547 -0.015579 -0.001629 -0.016814 0.000169 -0.012280 26O 1f-1 -0.008754 -0.016690 0.008667 -0.018467 0.001223 -0.007910 26O 1f+2 -0.010483 -0.006224 -0.016291 -0.002186 -0.000161 -0.012128 26O 1f-2 -0.008469 0.008935 0.005681 -0.005716 0.002790 0.007024 26O 1f+3 -0.001136 0.015674 -0.020223 0.014049 -0.005739 0.006271 26O 1f-3 0.007805 0.003802 -0.015447 -0.009572 0.003487 -0.018212 27O 1s -0.005815 -0.025045 -0.029558 0.004995 -0.025651 -0.000031 27O 2s -0.019161 -0.088293 -0.100875 0.020060 -0.087275 -0.002915 27O 3s 0.129293 0.738717 0.758343 -0.259299 0.627353 0.122719 27O 4s -0.146500 -1.941737 -1.689869 1.051159 -1.295257 -0.847389 27O 5s -0.165609 0.625521 1.143466 0.691750 1.235639 -0.572511 27O 1pz -0.132646 0.128340 -0.047693 -0.160088 -0.039229 0.000235 27O 1px -0.036988 0.053168 -0.125036 -0.053935 -0.149874 0.027510 27O 1py -0.007544 -0.034072 0.027559 0.038025 0.058882 0.105656 27O 2pz 0.355907 -0.296105 0.107167 0.402477 0.059193 -0.070866 27O 2px 0.045355 0.266054 0.390897 -0.388599 0.258409 0.418759 27O 2py 0.042044 -0.049604 -0.058987 0.070073 -0.061346 -0.309292 27O 3pz -0.094166 0.141272 0.028497 -0.058263 -0.142097 -0.059395 27O 3px -0.161581 0.481788 -0.368959 -0.219700 -0.364167 -0.004648 27O 3py 0.125816 -0.367304 0.085578 0.018800 0.190682 0.174878 27O 1dz2 -0.002375 -0.001172 0.007071 -0.001037 0.006571 0.003354 27O 1dxz 0.002263 -0.002672 0.001157 0.007859 0.006477 -0.008686 27O 1dyz -0.003184 -0.005583 -0.008360 -0.000762 -0.011319 -0.000640 27O 1dx2y2 -0.001647 -0.002899 -0.012325 -0.002423 -0.018185 0.003199 27O 1dxy 0.004643 -0.002510 0.009537 0.001033 0.003829 0.005250 27O 2dz2 -0.022811 -0.029050 -0.035652 -0.033749 -0.071139 0.029455 27O 2dxz -0.187066 0.113255 -0.111491 -0.159518 -0.056071 0.008829 27O 2dyz 0.049034 -0.073883 -0.078421 0.022032 -0.090536 -0.029668 27O 2dx2y2 -0.037360 0.006496 -0.028648 -0.004796 -0.001645 0.037118 27O 2dxy -0.100156 0.043293 -0.050490 -0.110992 -0.039834 0.148245 27O 1f0 0.002029 -0.004093 0.005502 0.006598 0.010579 0.006648 27O 1f+1 -0.013135 -0.010895 -0.005032 0.015610 0.003665 -0.017889 27O 1f-1 -0.005554 0.002579 -0.000640 -0.002308 0.003724 -0.002211 27O 1f+2 -0.006070 0.014099 -0.024384 -0.013075 -0.023640 -0.007701 27O 1f-2 0.008312 0.003850 -0.020376 0.003948 -0.017079 -0.013797 27O 1f+3 0.020345 -0.011392 0.011289 0.025372 0.010242 -0.028017 27O 1f-3 0.006059 0.015716 -0.015642 -0.017232 -0.029688 -0.008692 28O 1s 0.000313 0.002169 0.007025 -0.002905 0.006439 -0.002183 28O 2s 0.000888 0.008008 0.020837 -0.007598 0.023090 -0.010546 28O 3s -0.041742 -0.099240 -0.091056 -0.025780 -0.192809 0.131270 28O 4s 0.275476 0.401270 -0.080863 0.424120 0.482697 -0.466289 28O 5s 0.807879 0.208753 0.004180 0.664159 -0.456921 0.485979 28O 1pz -0.028219 0.058948 -0.042751 -0.098530 -0.040220 0.040165 28O 1px 0.057220 0.007708 -0.241677 0.011782 -0.025503 -0.078281 28O 1py -0.022786 -0.050465 -0.118351 -0.030272 0.000097 -0.083619 28O 2pz -0.112131 -0.233518 0.210899 -0.012564 0.056253 -0.015273 28O 2px -0.003284 0.153851 0.418067 0.251873 0.131178 0.101469 28O 2py -0.053841 0.087556 0.293406 0.005539 -0.003351 0.209049 28O 3pz -0.529904 0.271146 0.490704 -0.188242 0.017169 0.311430 28O 3px 0.364232 -0.087245 -0.291062 0.160444 -0.152571 -0.055228 28O 3py -0.242523 0.084451 0.226333 -0.023416 0.046155 0.221493 28O 1dz2 0.005310 0.000274 -0.000570 0.001243 -0.003511 0.003527 28O 1dxz 0.003739 0.000228 -0.011822 0.005697 -0.004138 -0.001682 28O 1dyz 0.003948 0.001748 0.002110 0.001446 -0.003258 0.009599 28O 1dx2y2 -0.007524 0.001920 0.008803 -0.004081 -0.002107 0.004996 28O 1dxy 0.001275 -0.000194 0.000842 0.001988 0.002922 -0.003778 28O 2dz2 0.008816 0.071966 -0.116565 0.000058 -0.046774 0.028645 28O 2dxz -0.012184 -0.041148 0.021550 -0.039075 -0.002528 -0.012362 28O 2dyz 0.052446 -0.025028 -0.058993 0.063099 -0.002201 -0.047846 28O 2dx2y2 -0.009855 -0.037378 0.090092 0.010575 0.000898 0.005455 28O 2dxy 0.006348 0.060944 0.059741 0.002226 -0.037455 0.129982 28O 1f0 -0.009255 0.002547 -0.001156 -0.003066 0.001458 -0.005588 28O 1f+1 0.035658 -0.030156 -0.008246 0.006945 -0.001390 -0.029717 28O 1f-1 0.013904 -0.004222 -0.004011 0.007664 -0.003666 0.001933 28O 1f+2 -0.007760 -0.010867 0.014076 -0.024336 -0.002375 0.000967 28O 1f-2 0.023132 0.016168 -0.010545 0.016934 -0.010550 0.015956 28O 1f+3 0.013432 -0.024697 0.003232 -0.005895 -0.007582 -0.005633 28O 1f-3 0.038697 0.020573 -0.017382 0.021721 -0.016919 0.025655 29O 1s 0.004447 -0.006742 0.016864 -0.005653 -0.005985 0.015575 29O 2s 0.014756 -0.022436 0.056573 -0.018956 -0.020081 0.052193 29O 3s -0.087399 0.137647 -0.372570 0.124331 0.130019 -0.346649 29O 4s 0.198781 -0.304722 0.658367 -0.209822 -0.231372 0.573026 29O 5s -0.743154 1.008929 -1.349726 0.415246 0.546431 -0.970813 29O 1pz 0.000998 0.017588 -0.042119 0.023951 0.012660 -0.054928 29O 1px 0.009892 -0.008630 0.126485 -0.037464 -0.019121 0.140497 29O 1py -0.032480 0.052661 -0.069686 0.015326 0.021193 -0.040049 29O 2pz 0.023013 -0.077794 0.090409 -0.091916 -0.047910 0.143800 29O 2px -0.087818 0.100287 -0.348772 0.089664 0.076575 -0.331030 29O 2py 0.124757 -0.183916 0.238731 -0.059658 -0.083131 0.152599 29O 3pz -0.088305 0.079337 -0.177390 0.018737 0.050216 -0.095553 29O 3px 0.196009 -0.294843 0.420317 -0.119242 -0.105806 0.303036 29O 3py 0.111918 -0.080810 0.109742 -0.059820 -0.110217 0.088973 29O 1dz2 0.001157 -0.003481 0.000501 -0.001937 0.000041 0.001271 29O 1dxz 0.005100 -0.003584 0.004573 0.000127 -0.001556 0.000959 29O 1dyz 0.000098 -0.000448 -0.002342 -0.002091 -0.001187 -0.000428 29O 1dx2y2 -0.002767 0.005199 -0.002236 0.000417 0.000836 0.000161 29O 1dxy -0.001659 -0.000404 -0.000955 -0.000821 0.001307 0.000728 29O 2dz2 -0.014347 0.021840 -0.033335 0.024961 0.019705 -0.040661 29O 2dxz 0.002496 0.006533 -0.019331 -0.006894 0.002296 -0.015286 29O 2dyz -0.002139 0.016456 -0.007851 0.028216 0.001864 -0.032000 29O 2dx2y2 -0.010714 0.017421 -0.000907 -0.008444 -0.005049 0.019499 29O 2dxy 0.036525 -0.052860 0.083092 -0.014208 -0.019029 0.071079 29O 1f0 0.002582 -0.001756 0.002716 0.000243 -0.003073 0.000818 29O 1f+1 -0.002890 0.001575 -0.002895 0.002002 0.002269 -0.002543 29O 1f-1 0.001431 0.001667 -0.001392 0.000934 -0.001151 -0.003751 29O 1f+2 0.001329 0.001481 0.000526 0.000606 0.001215 -0.002137 29O 1f-2 -0.000508 -0.000434 -0.000131 -0.003361 -0.002023 0.000022 29O 1f+3 0.001858 -0.002921 0.000957 0.000648 -0.001036 -0.001861 29O 1f-3 0.000440 0.001974 -0.000125 0.001805 0.000833 0.000261 30O 1s 0.008952 0.007613 0.012006 0.013354 0.024195 0.002869 30O 2s 0.031564 0.028247 0.038236 0.045117 0.081318 0.008926 30O 3s -0.187383 -0.255870 -0.204979 -0.305121 -0.566043 -0.087817 30O 4s 0.025210 0.624994 0.168064 0.416785 1.020384 0.341069 30O 5s -1.570798 -0.559072 -0.937689 -0.974510 -0.979723 0.775472 30O 1pz 0.005110 -0.046577 0.036944 0.007610 -0.032803 -0.039512 30O 1px 0.086357 -0.015844 -0.186614 0.052454 -0.199368 -0.222594 30O 1py 0.131744 0.091684 -0.050506 -0.047117 -0.094322 0.175459 30O 2pz 0.155717 0.032027 0.081669 0.066443 0.183701 -0.035639 30O 2px -0.388778 0.193355 0.249744 -0.259046 0.387028 0.655667 30O 2py -0.443392 -0.121204 -0.056880 0.056504 0.130930 -0.262805 30O 3pz -0.182366 0.190330 0.431356 -0.159978 0.355690 0.102047 30O 3px -0.089051 -0.130627 -0.374473 -0.132620 -0.276437 0.031811 30O 3py 0.398719 -0.134369 -0.466585 0.178290 -0.482055 -0.022956 30O 1dz2 0.001445 -0.001997 -0.000594 0.000633 0.000569 -0.004597 30O 1dxz 0.003721 0.000661 -0.008695 -0.002682 -0.018621 0.001034 30O 1dyz 0.005763 0.005024 -0.003703 0.002670 0.001827 -0.005666 30O 1dx2y2 0.004576 0.002251 0.007938 0.001689 0.012010 -0.000002 30O 1dxy 0.001366 -0.005905 0.012915 0.003352 0.012987 0.002630 30O 2dz2 0.066438 -0.012302 -0.029459 0.019907 -0.109598 -0.038585 30O 2dxz -0.038295 -0.004680 0.023694 0.012792 0.085314 -0.058171 30O 2dyz 0.033622 -0.017715 0.136583 0.043628 0.152080 0.028159 30O 2dx2y2 0.011695 -0.011845 0.058969 -0.045586 0.006434 0.161509 30O 2dxy -0.061858 0.014468 0.037054 0.009503 0.091726 0.006812 30O 1f0 -0.012688 0.008171 -0.000122 -0.002173 0.005112 -0.002336 30O 1f+1 -0.028828 -0.007168 -0.025433 -0.008517 -0.009490 -0.000759 30O 1f-1 -0.003205 -0.007074 0.002456 0.005170 0.010234 -0.006056 30O 1f+2 0.017441 -0.019934 0.008532 0.016300 -0.003113 0.001614 30O 1f-2 0.011071 -0.002462 0.025402 0.010498 0.014762 -0.011683 30O 1f+3 0.000528 -0.031484 -0.033880 0.006341 -0.039056 0.010037 30O 1f-3 -0.008242 -0.004510 0.012248 -0.000383 0.015230 -0.000572 31O 1s 0.009344 0.008753 -0.009604 -0.012746 0.024394 -0.005708 31O 2s 0.032810 0.031979 -0.029826 -0.043162 0.081899 -0.018761 31O 3s -0.195478 -0.279926 0.140888 0.293228 -0.565694 0.157526 31O 4s 0.044153 0.666106 -0.039190 -0.402322 0.996510 -0.450138 31O 5s -1.567685 -0.622044 0.779867 0.973185 -1.042079 -0.511923 31O 1pz -0.008092 0.043923 0.043032 0.005638 0.031192 -0.047927 31O 1px -0.077010 0.033652 -0.177971 0.063705 0.201731 -0.213421 31O 1py -0.131679 -0.091603 -0.062936 -0.042607 0.095499 0.182321 31O 2pz -0.149729 -0.032951 0.067144 0.065778 -0.192469 -0.003464 31O 2px 0.367142 -0.226166 0.224634 -0.280111 -0.377015 0.617270 31O 2py 0.443198 0.126725 -0.030179 0.052426 -0.121496 -0.289549 31O 3pz 0.168903 -0.219429 0.425229 -0.189306 -0.366935 0.064243 31O 3px 0.093873 0.157013 -0.351771 -0.124971 0.296448 0.002655 31O 3py -0.382678 0.162577 -0.472715 0.213351 0.494529 0.012013 31O 1dz2 0.001284 -0.002116 0.000371 -0.000708 0.000689 0.004467 31O 1dxz 0.003499 0.000042 0.008162 0.002015 -0.018770 -0.000607 31O 1dyz 0.005561 0.004848 0.004523 -0.002802 0.001902 0.004689 31O 1dx2y2 0.004775 0.002886 -0.007015 -0.000979 0.012343 -0.000146 31O 1dxy 0.001964 -0.004968 -0.012554 -0.002611 0.013267 -0.002561 31O 2dz2 0.066805 -0.014686 0.027938 -0.022904 -0.108820 0.035236 31O 2dxz -0.040179 -0.004353 -0.024202 -0.010616 0.085036 0.054164 31O 2dyz 0.037966 -0.006943 -0.128036 -0.038929 0.157589 -0.034766 31O 2dx2y2 0.015964 -0.004625 -0.056060 0.048278 0.008102 -0.156147 31O 2dxy -0.060974 0.017654 -0.034738 -0.006710 0.090473 -0.003706 31O 1f0 0.012467 -0.008300 -0.000301 -0.002614 -0.004713 -0.003173 31O 1f+1 0.030412 0.008905 -0.023410 -0.008097 0.011290 -0.001170 31O 1f-1 0.003282 0.006830 0.002700 0.005118 -0.010610 -0.005558 31O 1f+2 -0.018073 0.019086 0.009087 0.016664 0.002027 0.002154 31O 1f-2 -0.011694 0.001081 0.025056 0.009586 -0.016390 -0.010942 31O 1f+3 0.000091 0.033305 -0.030594 0.008316 0.039719 0.009611 31O 1f-3 0.008310 0.003669 0.012338 -0.001303 -0.015167 -0.000096 32O 1s 0.005034 -0.005850 -0.016923 0.005121 -0.005708 -0.016173 32O 2s 0.016720 -0.019429 -0.056770 0.017168 -0.019135 -0.054149 32O 3s -0.100368 0.117409 0.374187 -0.112934 0.123593 0.357670 32O 4s 0.221881 -0.266784 -0.663789 0.188162 -0.219390 -0.596352 32O 5s -0.788637 0.933454 1.359759 -0.355193 0.520351 1.068067 32O 1pz 0.000190 -0.013421 -0.041093 0.022787 -0.012013 -0.053734 32O 1px -0.015647 0.001556 0.127237 -0.037389 0.017932 0.142224 32O 1py 0.035055 -0.047984 -0.071517 0.013425 -0.020373 -0.044410 32O 2pz -0.023968 0.068110 0.086609 -0.085903 0.046087 0.141720 32O 2px 0.102687 -0.081968 -0.350896 0.085328 -0.072435 -0.344986 32O 2py -0.132882 0.170399 0.241575 -0.052162 0.079973 0.170034 32O 3pz 0.095972 -0.066588 -0.178925 0.015549 -0.047301 -0.103417 32O 3px -0.211793 0.267710 0.427067 -0.107413 0.098192 0.324482 32O 3py -0.114478 0.078273 0.103645 -0.049104 0.105897 0.111640 32O 1dz2 0.001240 -0.003434 -0.000670 0.001890 -0.000040 -0.001567 32O 1dxz 0.005269 -0.003240 -0.004586 -0.000293 -0.001442 -0.001392 32O 1dyz 0.000031 -0.000638 0.002279 0.001965 -0.001238 0.000245 32O 1dx2y2 -0.002793 0.005119 0.002288 -0.000174 0.000767 0.000219 32O 1dxy -0.001660 -0.000446 0.000764 0.000945 0.001210 -0.000312 32O 2dz2 -0.015434 0.020194 0.033590 -0.021172 0.019227 0.041061 32O 2dxz 0.001237 0.006836 0.020708 0.007832 0.001950 0.018711 32O 2dyz -0.003366 0.017415 0.009433 -0.028167 0.003249 0.032991 32O 2dx2y2 -0.011207 0.017349 0.002624 0.009186 -0.005266 -0.018036 32O 2dxy 0.039191 -0.047864 -0.083228 0.012951 -0.018094 -0.074847 32O 1f0 -0.002379 0.001789 0.002513 0.000597 0.002753 0.001325 32O 1f+1 0.002989 -0.001609 -0.002869 0.001770 -0.002328 -0.002919 32O 1f-1 -0.001409 -0.001268 -0.001653 0.001084 0.001058 -0.003415 32O 1f+2 -0.001339 -0.001594 0.000462 0.000581 -0.001332 -0.001706 32O 1f-2 0.000707 0.000331 -0.000407 -0.003047 0.001894 0.000059 32O 1f+3 -0.001814 0.002896 0.000964 0.000783 0.000988 -0.001564 32O 1f-3 -0.000567 -0.001916 -0.000050 0.001679 -0.000699 0.000313 33O 1s 0.000748 0.002898 -0.006443 0.001358 0.006778 -0.002759 33O 2s 0.002187 0.010278 -0.018734 0.002413 0.024255 -0.005951 33O 3s -0.047410 -0.110782 0.069843 0.060038 -0.202931 -0.020558 33O 4s 0.267949 0.398053 0.154376 -0.473753 0.509051 0.290861 33O 5s 0.801249 0.181554 0.018127 -0.589759 -0.449715 -0.262922 33O 1pz 0.028907 -0.056766 -0.037532 -0.098014 0.049057 0.072688 33O 1px -0.048101 0.008077 -0.234804 0.002296 0.033028 -0.087607 33O 1py 0.030093 0.063261 -0.110487 -0.038016 0.002380 -0.121993 33O 2pz 0.103117 0.217308 0.215614 -0.001812 -0.070244 -0.060947 33O 2px -0.007801 -0.175585 0.380414 0.259479 -0.154591 0.083836 33O 2py 0.036572 -0.118119 0.282315 0.024853 0.000336 0.307470 33O 3pz 0.509649 -0.301324 0.495625 -0.176182 -0.013536 0.370081 33O 3px -0.352263 0.113312 -0.290764 0.151778 0.155565 -0.084137 33O 3py 0.234212 -0.095317 0.230447 -0.028032 -0.045977 0.207499 33O 1dz2 0.005197 0.000001 0.000456 -0.000780 -0.003485 -0.001911 33O 1dxz 0.003306 -0.000439 0.011604 -0.004838 -0.004369 0.004183 33O 1dyz 0.004231 0.001885 -0.002277 -0.000853 -0.003321 -0.008966 33O 1dx2y2 -0.007039 0.002814 -0.008935 0.003156 -0.002069 -0.007978 33O 1dxy 0.001168 -0.000366 -0.000449 -0.001722 0.003215 0.006135 33O 2dz2 0.006819 0.067967 0.112502 0.003913 -0.055679 -0.059632 33O 2dxz -0.011526 -0.041394 -0.025068 0.036279 -0.001864 0.011897 33O 2dyz 0.048444 -0.033663 0.056677 -0.052984 0.000605 0.100790 33O 2dx2y2 -0.007711 -0.032721 -0.088443 -0.012065 0.006142 0.005004 33O 2dxy 0.012596 0.070369 -0.057595 -0.005994 -0.040551 -0.173727 33O 1f0 0.009420 -0.002170 -0.000883 -0.003447 -0.001272 -0.004274 33O 1f+1 -0.034447 0.032521 -0.007565 0.005837 -0.000156 -0.036077 33O 1f-1 -0.013817 0.004971 -0.004040 0.006973 0.003354 -0.000797 33O 1f+2 0.007251 0.009742 0.015252 -0.023090 0.002677 0.005670 33O 1f-2 -0.023555 -0.016585 -0.011932 0.017204 0.011010 0.021118 33O 1f+3 -0.013664 0.024887 0.004409 -0.005551 0.007184 -0.006444 33O 1f-3 -0.039199 -0.020719 -0.018809 0.021280 0.017540 0.028455 34O 1s -0.006676 -0.026619 0.026524 -0.006319 -0.026511 0.001509 34O 2s -0.022129 -0.093629 0.090324 -0.024611 -0.090166 0.007855 34O 3s 0.152441 0.777990 -0.674540 0.293360 0.647158 -0.154867 34O 4s -0.204411 -2.031755 1.488810 -1.130043 -1.328863 0.876345 34O 5s -0.132932 0.692737 -1.054874 -0.619539 1.284904 0.514440 34O 1pz 0.135782 -0.122032 -0.051797 -0.160962 0.051633 -0.008828 34O 1px 0.042581 -0.042011 -0.122666 -0.047908 0.153736 0.027891 34O 1py 0.009608 0.028272 0.025926 0.033822 -0.057705 0.107844 34O 2pz -0.362884 0.283480 0.117067 0.406844 -0.091450 -0.048078 34O 2px -0.065513 -0.294077 0.358757 -0.402797 -0.261089 0.399110 34O 2py -0.047764 0.059149 -0.050767 0.078542 0.055206 -0.309804 34O 3pz 0.094177 -0.137259 0.023782 -0.054421 0.141815 -0.064296 34O 3px 0.176767 -0.449363 -0.380395 -0.204257 0.373260 -0.020687 34O 3py -0.128973 0.350280 0.091647 0.018812 -0.189967 0.192358 34O 1dz2 -0.002097 -0.000547 -0.006862 0.001043 0.006495 -0.003957 34O 1dxz 0.002413 -0.002576 -0.000967 -0.007760 0.006814 0.008499 34O 1dyz -0.003494 -0.006162 0.007434 0.000228 -0.011635 0.001046 34O 1dx2y2 -0.002024 -0.003822 0.011356 0.001529 -0.018373 -0.003003 34O 1dxy 0.005026 -0.001831 -0.009439 -0.000843 0.004423 -0.005012 34O 2dz2 -0.022862 -0.031621 0.031353 0.029322 -0.072783 -0.028204 34O 2dxz -0.194565 0.103885 0.111459 0.161879 -0.073468 0.001353 34O 2dyz 0.046935 -0.078815 0.070952 -0.029137 -0.089154 0.027231 34O 2dx2y2 -0.040487 0.005946 0.028763 0.006673 -0.005901 -0.040789 34O 2dxy -0.104855 0.040525 0.051036 0.111759 -0.050116 -0.147070 34O 1f0 -0.002714 0.003359 0.005153 0.006248 -0.010946 0.006425 34O 1f+1 0.013426 0.011157 -0.003767 0.015138 -0.003542 -0.018373 34O 1f-1 0.005632 -0.002424 -0.000427 -0.002437 -0.003796 -0.002668 34O 1f+2 0.007343 -0.011992 -0.023804 -0.012106 0.024779 -0.008177 34O 1f-2 -0.007451 -0.002309 -0.019865 0.005018 0.016938 -0.013776 34O 1f+3 -0.020709 0.010708 0.011550 0.025222 -0.011883 -0.027118 34O 1f-3 -0.005286 -0.013791 -0.015029 -0.016405 0.029514 -0.010403 35O 1s 0.018573 -0.012440 0.027017 -0.016239 -0.005632 0.022073 35O 2s 0.063023 -0.043958 0.095399 -0.054744 -0.019509 0.078323 35O 3s -0.484225 0.355803 -0.782130 0.369151 0.156454 -0.651304 35O 4s 1.237749 -0.902956 1.977370 -0.540167 -0.432748 1.601347 35O 5s 0.100572 0.705049 -1.267913 1.207659 -0.007064 -1.091539 35O 1pz 0.045685 0.014335 -0.046019 -0.041836 -0.025963 -0.095784 35O 1px -0.138493 0.033614 0.060385 -0.053026 0.034270 0.038884 35O 1py -0.084891 -0.187002 -0.085466 0.139337 0.030634 0.132691 35O 2pz -0.088152 -0.072100 0.101466 0.120826 0.064370 0.277388 35O 2px 0.409512 -0.205755 0.171877 0.292241 -0.132954 0.216782 35O 2py 0.272564 0.412843 0.336918 -0.296467 -0.092476 -0.234803 35O 3pz 0.024727 -0.264519 -0.087692 -0.158940 -0.055990 0.067772 35O 3px 0.139399 -0.279149 -0.439689 0.203174 -0.166021 -0.236895 35O 3py -0.001170 -0.346134 -0.206344 0.027360 0.001473 -0.013438 35O 1dz2 -0.013564 0.005520 -0.005238 0.004514 0.007032 -0.000712 35O 1dxz 0.005208 0.004306 0.012522 -0.006863 -0.000446 0.003425 35O 1dyz -0.007889 0.001973 -0.001529 0.000004 0.000554 -0.001631 35O 1dx2y2 0.010078 0.000899 0.000047 -0.005717 -0.003748 -0.007291 35O 1dxy 0.007228 -0.002369 0.002133 0.004143 -0.000504 0.005169 35O 2dz2 -0.077796 -0.005917 -0.000039 0.033488 0.022531 0.015951 35O 2dxz -0.111555 -0.126177 0.068096 0.104478 0.022927 0.224507 35O 2dyz -0.115864 0.006801 -0.016115 0.073681 0.033564 0.041212 35O 2dx2y2 -0.056366 -0.189950 -0.161571 0.197404 0.003427 0.093153 35O 2dxy 0.009500 0.177258 0.062868 -0.112745 -0.011620 -0.155120 35O 1f0 -0.013547 -0.006252 0.006441 0.001827 0.003469 0.017636 35O 1f+1 0.014806 0.015802 0.000158 -0.016150 0.000221 -0.010065 35O 1f-1 0.008609 0.016118 0.009904 -0.017422 -0.001115 -0.004559 35O 1f+2 0.011369 0.007637 -0.014746 -0.004149 0.000695 -0.016324 35O 1f-2 0.008522 -0.009172 0.005670 -0.006160 -0.002381 0.007835 35O 1f+3 0.001446 -0.015398 -0.020687 0.012922 0.006470 0.001538 35O 1f-3 -0.007142 -0.003006 -0.015288 -0.009373 -0.003086 -0.014897 522 523 524 525 526 527 3.29417 3.29545 3.29753 3.30966 3.32820 3.35185 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s -0.000165 0.001153 0.000163 0.000530 -0.000204 0.000791 0Rh 2s 0.001526 -0.007625 -0.001601 -0.000734 0.002200 -0.005581 0Rh 3s -0.000051 0.002232 -0.000001 0.002698 0.000116 0.001323 0Rh 4s -0.007971 0.041061 0.008511 0.003914 -0.011849 0.030094 0Rh 5s 0.014515 -0.078911 -0.017853 0.008747 0.027358 -0.059281 0Rh 6s 0.002577 0.031280 0.012290 -0.084039 -0.032401 0.029074 0Rh 7s -0.167648 0.088110 0.023708 0.770685 0.053889 -0.192242 0Rh 8s 0.083563 -0.170772 0.022537 -0.007254 0.027201 -0.130333 0Rh 1pz 0.000320 0.000371 -0.004210 -0.003643 -0.000781 -0.001036 0Rh 1px 0.000070 0.000430 0.000192 0.004620 0.000641 -0.001635 0Rh 1py 0.001976 -0.001831 -0.001753 -0.003670 -0.000492 0.004041 0Rh 2pz -0.000821 -0.001620 0.015865 0.013817 0.002714 0.004479 0Rh 2px -0.000261 -0.001792 -0.000793 -0.016724 -0.002478 0.006317 0Rh 2py -0.007424 0.006767 0.007137 0.014354 0.002381 -0.015450 0Rh 3pz -0.007198 0.007819 -0.027661 -0.025491 0.000366 -0.020271 0Rh 3px 0.000488 0.006665 0.002818 0.013149 0.005592 -0.014925 0Rh 3py 0.012081 -0.008730 -0.024338 -0.036608 -0.015812 0.031801 0Rh 4pz 0.040371 -0.022169 -0.006760 -0.003256 -0.024483 0.052273 0Rh 4px -0.001232 -0.013676 -0.005889 0.086801 -0.003506 0.019749 0Rh 4py 0.008755 -0.017673 0.051091 0.046461 0.051205 -0.016416 0Rh 5pz -0.080133 0.038998 0.032790 0.050974 0.052315 -0.068913 0Rh 5px 0.018119 0.013749 0.012950 -0.250489 -0.010377 -0.070081 0Rh 5py -0.031671 0.047554 -0.082205 -0.063345 -0.080405 0.018963 0Rh 6pz -0.044788 0.345892 -0.285931 -0.702681 0.085139 -1.295567 0Rh 6px -0.450607 0.286088 -0.161407 0.885781 0.558670 0.945819 0Rh 6py 0.217290 -0.218679 -0.803182 -0.909155 -0.957811 -0.034174 0Rh 1dz2 0.005306 -0.008345 0.001705 0.009668 -0.020657 0.012429 0Rh 1dxz 0.000390 0.012406 0.001371 0.001161 0.003331 0.003609 0Rh 1dyz -0.007115 0.011244 -0.006731 0.003019 0.001353 0.002622 0Rh 1dx2y2 0.003340 -0.012152 0.017667 -0.007184 0.002137 -0.024031 0Rh 1dxy 0.002539 -0.006735 -0.013171 -0.018146 -0.010253 -0.028429 0Rh 2dz2 0.001287 -0.002931 0.000921 0.001623 -0.001154 0.002617 0Rh 2dxz -0.000445 0.000649 0.001431 -0.000176 0.001128 -0.001402 0Rh 2dyz -0.001181 -0.000344 0.000632 0.001382 0.004852 0.004589 0Rh 2dx2y2 0.000818 -0.000158 0.001954 -0.000580 0.000664 -0.000418 0Rh 2dxy 0.000403 -0.000631 -0.001738 -0.003033 -0.000715 -0.002682 0Rh 3dz2 -0.023389 0.040900 -0.009948 -0.039392 0.073526 -0.053359 0Rh 3dxz 0.000789 -0.043780 -0.011066 -0.002997 -0.016164 -0.005750 0Rh 3dyz 0.028715 -0.035371 0.019270 -0.016420 -0.026829 -0.029869 0Rh 3dx2y2 -0.014727 0.040697 -0.066949 0.026289 -0.009900 0.081938 0Rh 3dxy -0.010195 0.025083 0.051351 0.073679 0.037076 0.106764 0Rh 4dz2 0.030015 -0.059468 0.017478 0.044733 -0.057341 0.064581 0Rh 4dxz -0.006739 0.032950 0.023446 -0.000297 0.023377 -0.009962 0Rh 4dyz -0.030058 0.016100 -0.004806 0.029054 0.071937 0.073021 0Rh 4dx2y2 0.017711 -0.024718 0.060790 -0.022694 0.010550 -0.058620 0Rh 4dxy 0.009983 -0.022076 -0.051993 -0.079307 -0.029866 -0.097195 0Rh 5dz2 -0.050545 0.084801 -0.020702 -0.049482 -0.019482 -0.022418 0Rh 5dxz 0.027108 0.041901 -0.054410 0.019192 -0.036325 0.057698 0Rh 5dyz 0.017023 0.051739 -0.014037 -0.087411 -0.075204 -0.128358 0Rh 5dx2y2 0.012661 -0.083404 0.032915 -0.012686 0.024941 -0.086436 0Rh 5dxy 0.017462 -0.021843 0.044806 0.049094 -0.000359 -0.015882 0Rh 1f0 0.003569 0.018565 -0.001257 0.010198 -0.014535 -0.000536 0Rh 1f+1 -0.000936 -0.002690 0.011199 0.004372 0.003159 -0.019039 0Rh 1f-1 -0.005207 0.013793 0.015462 0.010161 -0.010383 -0.034482 0Rh 1f+2 -0.001138 -0.006434 -0.026263 -0.014395 -0.009961 -0.005717 0Rh 1f-2 0.003049 -0.001385 0.003151 0.016048 -0.032190 -0.022621 0Rh 1f+3 0.005242 -0.022466 0.018535 -0.008850 0.013619 -0.016621 0Rh 1f-3 0.002935 -0.006314 -0.001013 0.006101 -0.011622 -0.027129 1Rh 1s -0.000053 -0.001117 -0.000136 0.000492 0.000265 -0.000793 1Rh 2s 0.001390 0.007285 0.001312 -0.000596 -0.002603 0.005610 1Rh 3s 0.000530 -0.002227 -0.000016 0.002558 0.000003 -0.001322 1Rh 4s -0.007172 -0.039261 -0.007014 0.003156 0.014009 -0.030250 1Rh 5s 0.015463 0.075290 0.015106 0.009784 -0.031289 0.059618 1Rh 6s -0.008415 -0.029644 -0.012888 -0.082722 0.032541 -0.029346 1Rh 7s -0.162841 -0.069183 0.018827 0.772724 -0.024202 0.191185 1Rh 8s 0.043096 0.163233 -0.032678 0.001460 -0.031998 0.130836 1Rh 1pz -0.000317 0.000377 -0.003986 0.003758 -0.000626 -0.000994 1Rh 1px 0.000475 0.000385 0.000172 -0.004768 0.000502 -0.001581 1Rh 1py -0.003073 -0.001661 -0.001400 0.003937 -0.000411 0.003679 1Rh 2pz 0.000827 -0.001620 0.015061 -0.014238 0.002117 0.004305 1Rh 2px -0.001794 -0.001623 -0.000735 0.017291 -0.001981 0.006103 1Rh 2py 0.011691 0.006117 0.005783 -0.015413 0.002060 -0.014059 1Rh 3pz 0.006722 0.007279 -0.027195 0.025989 0.001707 -0.019623 1Rh 3px 0.003170 0.006431 0.003131 -0.014302 0.005363 -0.014353 1Rh 3py -0.022625 -0.007352 -0.021485 0.039645 -0.014906 0.028849 1Rh 4pz -0.037713 -0.019702 -0.001989 0.004391 -0.025398 0.050805 1Rh 4px 0.000799 -0.014168 -0.007999 -0.086096 -0.006886 0.018968 1Rh 4py 0.003974 -0.018478 0.049538 -0.051526 0.049651 -0.014972 1Rh 5pz 0.071723 0.034071 0.021656 -0.052693 0.052033 -0.066847 1Rh 5px -0.009017 0.016429 0.019831 0.247511 -0.000719 -0.069117 1Rh 5py 0.011486 0.047813 -0.081579 0.071456 -0.078007 0.018908 1Rh 6pz 0.106922 0.345747 -0.260544 0.676343 0.125432 -1.261081 1Rh 6px 0.138928 0.251759 -0.220450 -0.822581 0.524375 0.958036 1Rh 6py -0.379489 -0.180735 -0.743738 0.982111 -0.913966 -0.036886 1Rh 1dz2 0.011239 0.007971 -0.002500 0.007597 0.021669 -0.011301 1Rh 1dxz 0.003884 -0.012426 -0.001936 0.000737 -0.003716 -0.004366 1Rh 1dyz -0.006874 -0.010894 0.007526 0.002855 -0.001617 -0.003515 1Rh 1dx2y2 -0.002414 0.012307 -0.017746 -0.005334 -0.002183 0.023651 1Rh 1dxy 0.002088 0.006460 0.012517 -0.017987 0.009501 0.029149 1Rh 2dz2 0.001680 0.002889 -0.001057 0.001499 0.001303 -0.002609 1Rh 2dxz -0.000456 -0.000609 -0.001378 -0.000066 -0.001186 0.001318 1Rh 2dyz -0.001014 0.000515 -0.000600 0.001498 -0.004904 -0.005321 1Rh 2dx2y2 0.000987 0.000109 -0.002119 -0.000551 -0.000677 0.000304 1Rh 2dxy 0.000590 0.000587 0.001536 -0.003048 0.000542 0.002626 1Rh 3dz2 -0.044717 -0.039486 0.013199 -0.031999 -0.077559 0.049656 1Rh 3dxz -0.010653 0.043664 0.012678 -0.002105 0.017700 0.008651 1Rh 3dyz 0.027157 0.033435 -0.022014 -0.016412 0.027946 0.036369 1Rh 3dx2y2 0.003408 -0.040982 0.067966 0.020066 0.010119 -0.080128 1Rh 3dxy -0.009594 -0.023983 -0.048271 0.073223 -0.033796 -0.108855 1Rh 4dz2 0.047621 0.058177 -0.021241 0.038818 0.061547 -0.063750 1Rh 4dxz -0.000447 -0.032313 -0.023631 0.000521 -0.024936 0.007269 1Rh 4dyz -0.026654 -0.012827 0.006549 0.030222 -0.073370 -0.089190 1Rh 4dx2y2 0.009191 0.024343 -0.063279 -0.018808 -0.010994 0.055512 1Rh 4dxy 0.012470 0.020979 0.047766 -0.079307 0.025765 0.096681 1Rh 5dz2 -0.042273 -0.084110 0.026769 -0.052392 0.018557 0.050433 1Rh 5dxz 0.056041 -0.044288 0.049077 0.009975 0.036818 -0.058785 1Rh 5dyz -0.001206 -0.058450 0.018326 -0.084934 0.078399 0.209068 1Rh 5dx2y2 -0.031626 0.084088 -0.030791 -0.000474 -0.023042 0.099098 1Rh 5dxy -0.006763 0.021603 -0.040210 0.054513 0.006069 0.041652 1Rh 1f0 -0.003506 0.018926 -0.001139 -0.009525 -0.015077 -0.001121 1Rh 1f+1 0.002949 -0.002973 0.010971 -0.005399 0.003139 -0.016780 1Rh 1f-1 0.009838 0.013488 0.013909 -0.011135 -0.010654 -0.034803 1Rh 1f+2 0.012089 -0.006654 -0.026580 0.012985 -0.009215 -0.007024 1Rh 1f-2 0.003340 -0.001752 0.003107 -0.016186 -0.032346 -0.015859 1Rh 1f+3 -0.005975 -0.021764 0.018826 0.007692 0.013942 -0.019046 1Rh 1f-3 0.005457 -0.006308 -0.001778 -0.007398 -0.012000 -0.027660 2C 1s -0.001396 -0.004350 0.001847 0.006639 -0.000577 0.005564 2C 2s -0.004270 -0.013329 0.005243 0.020159 -0.001505 0.014668 2C 3s -0.089482 0.069542 0.157250 0.112758 -0.050209 -0.041069 2C 4s 0.635554 0.451582 -1.112686 -1.327570 0.102838 -1.233713 2C 5s -0.064447 0.212030 -0.530438 0.131999 0.298992 -0.460663 2C 1pz -0.035304 0.037523 0.042051 0.017933 -0.006668 -0.009478 2C 1px -0.004313 -0.000017 0.025712 0.031879 -0.041384 -0.172183 2C 1py 0.019344 0.041842 0.018970 0.002294 -0.027137 -0.083520 2C 2pz 0.600746 0.481423 -0.617530 -0.764578 -0.052346 -0.901953 2C 2px -0.048915 -0.024254 -0.120481 -0.362544 0.169887 0.968959 2C 2py -0.249368 -0.273091 -0.425763 -0.072200 0.051665 -0.428705 2C 3pz 0.119508 0.080826 -0.225871 -0.045191 0.105500 -0.284654 2C 3px -0.121444 -0.060711 0.027693 -0.092796 0.004746 0.219327 2C 3py 0.018864 0.141501 -0.180315 -0.134311 0.050195 -0.021955 2C 1dz2 -0.048424 -0.030634 0.022929 0.069879 -0.031626 -0.091726 2C 1dxz -0.000561 0.031384 -0.041682 0.000954 -0.002220 -0.029457 2C 1dyz -0.028182 0.021082 0.079913 0.084977 -0.041188 -0.147395 2C 1dx2y2 0.028261 0.030142 -0.053808 0.003184 -0.037959 -0.253149 2C 1dxy -0.002287 0.079275 -0.013509 -0.026246 0.006363 0.003681 2C 2dz2 0.341414 0.248043 -0.172191 -0.311633 -0.037227 -0.343505 2C 2dxz -0.071855 0.120183 -0.073714 -0.104276 0.007865 0.023342 2C 2dyz 0.022923 -0.111382 -0.303419 -0.302565 0.095184 0.179087 2C 2dx2y2 -0.046629 -0.104196 0.137568 -0.064162 0.108244 0.822745 2C 2dxy 0.120830 0.040657 -0.066147 -0.180982 0.050739 0.257094 2C 1f0 0.021582 0.028027 -0.011800 -0.029057 -0.014888 0.025345 2C 1f+1 0.110757 0.059061 -0.088753 0.061614 0.033914 -0.030501 2C 1f-1 -0.080421 -0.087681 -0.051707 -0.123454 -0.029103 -0.044285 2C 1f+2 -0.357387 -0.306293 0.084053 0.122772 -0.060527 0.048988 2C 1f-2 -0.159982 -0.077304 0.038973 -0.031772 0.002916 0.034351 2C 1f+3 0.213585 0.197133 -0.038536 -0.123571 0.043998 0.101605 2C 1f-3 -0.417263 -0.281335 0.031372 -0.027417 -0.089102 -0.128067 3C 1s 0.002445 -0.002290 -0.007533 0.009321 -0.000338 -0.001378 3C 2s 0.007825 -0.006864 -0.022730 0.028594 0.000318 -0.004850 3C 3s -0.061207 -0.060286 0.106447 0.073434 0.052444 0.144914 3C 4s 0.041878 0.581272 0.790391 -1.589418 0.651365 -0.551742 3C 5s -0.716335 0.610756 0.399821 -0.096524 0.028898 0.892007 3C 1pz -0.019314 0.009378 0.039909 -0.046965 -0.032565 0.019475 3C 1px -0.010232 -0.029664 0.050260 0.028379 0.167175 -0.032428 3C 1py 0.014392 0.015428 -0.062795 -0.005238 -0.042064 -0.058195 3C 2pz 0.243793 0.115992 0.038908 0.092483 1.031689 -0.231290 3C 2px 0.109772 0.205846 -0.525363 -0.125064 -0.390388 0.145311 3C 2py -0.038254 -0.258092 -0.655922 1.012452 -0.384522 0.409845 3C 3pz -0.074285 0.144363 0.226999 -0.147527 0.077115 0.050160 3C 3px -0.076225 0.071094 0.007038 -0.055083 -0.108624 0.194217 3C 3py 0.199114 -0.202506 -0.154554 0.192127 0.003726 -0.121773 3C 1dz2 0.038515 -0.009753 -0.140072 0.059343 -0.123620 -0.018281 3C 1dxz 0.012422 0.000807 -0.023653 -0.003230 -0.200024 0.078441 3C 1dyz -0.019774 0.060442 0.010297 -0.119365 -0.122694 -0.015824 3C 1dx2y2 -0.003760 0.000969 0.073891 -0.058884 -0.122115 0.000608 3C 1dxy 0.008338 0.019408 -0.111725 0.009679 -0.061499 0.007027 3C 2dz2 0.065390 -0.056957 -0.032791 0.334033 0.442958 0.040096 3C 2dxz -0.000436 0.064633 0.198613 -0.127649 0.483319 -0.096477 3C 2dyz -0.062874 -0.114107 0.042220 0.294429 0.079883 0.205181 3C 2dx2y2 -0.023983 -0.034908 -0.404259 0.258195 -0.387419 0.161073 3C 2dxy -0.069882 -0.145510 0.166027 0.153226 0.171583 -0.119355 3C 1f0 0.015886 0.026623 -0.091903 0.169276 0.119883 0.027363 3C 1f+1 -0.032974 -0.154929 0.057887 0.021521 0.090653 -0.054768 3C 1f-1 0.033215 -0.038075 -0.079757 0.117844 -0.040733 0.011805 3C 1f+2 0.009007 0.036839 0.013887 0.022838 -0.061128 0.042661 3C 1f-2 0.019475 -0.145433 -0.193084 0.233165 0.102997 -0.058014 3C 1f+3 0.040243 -0.009249 -0.104687 0.026092 0.127340 -0.051593 3C 1f-3 -0.026133 -0.074962 -0.029866 0.028373 -0.048591 0.005613 4C 1s -0.000400 0.000730 0.002758 -0.001670 -0.000442 0.000823 4C 2s -0.001052 0.003023 0.007334 -0.005833 -0.001559 0.001472 4C 3s 0.082217 -0.170658 -0.044732 -0.113884 0.135986 0.458841 4C 4s -0.475160 0.347180 0.379389 0.690527 -0.417242 -1.360741 4C 5s 0.208493 -0.300569 -0.204189 0.211385 -0.375109 -0.069785 4C 1pz 0.068770 0.033747 0.021329 -0.014836 0.015371 0.095901 4C 1px -0.075682 -0.047842 -0.025288 -0.030083 -0.016746 0.127782 4C 1py -0.096368 -0.098725 0.022906 0.046034 0.007398 0.092753 4C 2pz -0.016358 -0.015262 -0.800587 -0.622465 -0.137037 -1.328009 4C 2px 0.374570 0.391585 -0.108336 -0.074906 0.342325 0.186566 4C 2py 0.662098 0.605443 -0.587066 -0.628989 0.049139 -0.539473 4C 3pz 0.078394 0.301832 -0.615782 0.048510 -0.028652 -0.775193 4C 3px 0.656325 0.332666 -0.153326 0.041850 0.248063 -0.284262 4C 3py 0.219374 0.094554 -0.316981 0.145950 0.122923 -0.655625 4C 1dz2 -0.213523 -0.193480 -0.063991 0.095257 0.002075 -0.029549 4C 1dxz 0.097612 0.008164 -0.028765 -0.010371 -0.009305 -0.197882 4C 1dyz 0.143976 0.166983 -0.023277 -0.190722 0.018795 0.044574 4C 1dx2y2 -0.112000 -0.165950 0.089376 0.082210 0.058436 0.163270 4C 1dxy -0.004157 -0.123341 0.033405 0.115539 0.001988 -0.104396 4C 2dz2 0.069403 -0.324749 0.318657 0.170326 -0.081222 0.365823 4C 2dxz -0.046836 0.028994 0.218308 -0.059579 0.409923 1.945455 4C 2dyz -0.132308 -0.266908 0.219288 0.484987 0.040502 0.428469 4C 2dx2y2 0.241499 0.790133 -0.317918 -0.362499 -0.270405 -1.284745 4C 2dxy -0.252089 0.077959 -0.142240 0.113798 0.110091 0.295343 4C 1f0 -0.196480 -0.263400 0.015692 0.117905 -0.006517 0.051295 4C 1f+1 0.118642 0.075170 0.064244 -0.027054 0.062912 0.259552 4C 1f-1 0.014423 0.039696 -0.072744 -0.172512 0.023956 0.100949 4C 1f+2 -0.189691 -0.066537 -0.005803 0.086369 -0.042401 -0.133425 4C 1f-2 -0.067309 -0.093818 0.001178 0.057836 0.030612 -0.172398 4C 1f+3 0.029360 -0.052590 -0.092245 0.088795 -0.013865 -0.060965 4C 1f-3 -0.195088 -0.207782 0.082333 -0.006173 -0.008252 0.127992 5C 1s 0.001161 -0.001460 0.001030 -0.001264 -0.000112 0.000839 5C 2s 0.002763 -0.003519 0.004434 -0.004961 -0.000020 0.003186 5C 3s 0.037384 -0.017046 -0.271949 -0.057468 -0.447888 -0.165794 5C 4s -0.253329 0.046245 0.542038 0.631879 1.284432 0.899386 5C 5s 0.094193 0.072619 -0.486542 0.368953 0.245345 -0.394883 5C 1pz 0.009235 -0.009018 -0.067022 0.075848 -0.020323 0.005804 5C 1px -0.000553 -0.046767 -0.073094 0.020758 -0.038005 0.038036 5C 1py 0.028323 -0.010878 0.007240 0.038913 0.133041 -0.004233 5C 2pz 0.030375 0.189148 0.502576 -0.646252 0.552381 -0.254165 5C 2px 0.066212 0.636051 0.117508 -0.595963 -0.520083 0.097625 5C 2py -0.169791 -0.288191 -0.441186 0.616973 -1.162375 0.346181 5C 3pz -0.460416 0.271471 0.114044 -0.000910 0.272974 0.437426 5C 3px -0.229472 0.320918 0.407836 -0.185948 -0.227601 -0.030060 5C 3py 0.707604 -0.616660 -0.559723 0.191724 -0.440782 -0.685029 5C 1dz2 -0.084910 0.037356 0.296875 -0.286772 -0.114849 0.044064 5C 1dxz -0.030770 0.030648 0.114794 -0.044890 0.164727 -0.073241 5C 1dyz 0.009816 -0.022553 -0.062421 0.157945 0.099381 -0.033094 5C 1dx2y2 -0.017533 -0.045935 0.054155 -0.000703 -0.129263 -0.018547 5C 1dxy -0.000953 0.009023 -0.188962 0.129593 -0.005517 0.080944 5C 2dz2 0.119052 -0.167354 -0.262065 0.282044 -0.103646 -0.226176 5C 2dxz 0.155152 0.021316 -1.166794 0.504985 -1.043735 0.223132 5C 2dyz 0.005019 0.178176 0.165747 -0.667614 -0.399676 0.109299 5C 2dx2y2 -0.010182 0.425300 0.529314 -0.529746 0.953794 0.308812 5C 2dxy 0.024030 -0.192119 0.545675 -0.062674 1.480972 -0.488020 5C 1f0 -0.009324 -0.054681 0.072026 0.021887 -0.182869 0.041090 5C 1f+1 -0.012840 -0.112535 -0.160037 0.077753 0.033843 -0.047202 5C 1f-1 0.064961 -0.033534 -0.183638 0.224807 0.199057 -0.005127 5C 1f+2 0.035197 0.003113 -0.071436 0.095007 0.097884 -0.011942 5C 1f-2 0.009469 -0.064241 0.067178 0.070533 0.107450 0.017267 5C 1f+3 0.005097 -0.028275 0.127849 -0.133582 -0.290590 0.007819 5C 1f-3 -0.048608 0.012753 0.268013 -0.136245 0.125014 0.000621 6C 1s 0.002031 0.001336 -0.001166 -0.001393 0.000121 -0.001179 6C 2s 0.005348 0.003189 -0.004742 -0.005333 -0.000007 -0.004255 6C 3s -0.033934 0.016570 0.256371 -0.062071 0.435766 0.131352 6C 4s 0.099358 -0.031141 -0.460635 0.606349 -1.222823 -0.830767 6C 5s 0.171145 -0.079739 0.455069 0.361904 -0.239169 0.308800 6C 1pz -0.018602 -0.009346 -0.068346 -0.073715 -0.023260 0.009139 6C 1px -0.005475 -0.048298 -0.076750 -0.016831 -0.038999 0.049064 6C 1py -0.019080 -0.010308 0.008879 -0.045503 0.130090 -0.016532 6C 2pz 0.187699 0.193772 0.529438 0.587734 0.578423 -0.323987 6C 2px -0.093160 0.655561 0.162399 0.631922 -0.485977 0.116676 6C 2py -0.144298 -0.292177 -0.474387 -0.517385 -1.185286 0.474897 6C 3pz 0.519960 0.242152 0.047433 -0.002627 0.284389 0.470100 6C 3px 0.297281 0.313297 0.387777 0.180254 -0.211798 -0.044576 6C 3py -0.793436 -0.572426 -0.462853 -0.182609 -0.461551 -0.726922 6C 1dz2 -0.088493 -0.035656 -0.294829 -0.290684 0.100908 -0.051230 6C 1dxz -0.050350 -0.030451 -0.110835 -0.032527 -0.163747 0.093842 6C 1dyz 0.008562 0.023924 0.066396 0.163460 -0.092716 0.037268 6C 1dx2y2 -0.020291 0.046336 -0.054863 -0.003427 0.129186 0.016558 6C 1dxy 0.049996 -0.008415 0.193859 0.116034 0.012502 -0.092046 6C 2dz2 0.031096 0.165887 0.251079 0.299487 0.113749 0.212126 6C 2dxz 0.331288 -0.028015 1.148315 0.419751 1.055102 -0.380010 6C 2dyz 0.007538 -0.186847 -0.186534 -0.688605 0.366882 -0.122859 6C 2dx2y2 0.026395 -0.434362 -0.526678 -0.507713 -0.963586 -0.185833 6C 2dxy -0.177825 0.195193 -0.537914 0.049356 -1.466858 0.665414 6C 1f0 -0.007499 -0.056010 0.073096 -0.013432 -0.179229 0.061846 6C 1f+1 0.003538 -0.116758 -0.168280 -0.078700 0.030345 -0.040553 6C 1f-1 -0.086747 -0.033113 -0.183795 -0.228597 0.186475 -0.015900 6C 1f+2 -0.063028 0.007856 -0.066203 -0.092728 0.090966 -0.025866 6C 1f-2 0.003326 -0.067854 0.060747 -0.078604 0.103472 0.002375 6C 1f+3 0.031207 -0.028896 0.132101 0.135797 -0.278790 0.029707 6C 1f-3 0.075930 0.010031 0.261345 0.123122 0.132057 -0.029469 7C 1s -0.000619 -0.000678 -0.002837 -0.001628 0.000334 -0.000503 7C 2s -0.001875 -0.002825 -0.007561 -0.005662 0.001213 -0.000464 7C 3s 0.069379 0.156709 0.036088 -0.111370 -0.136621 -0.424546 7C 4s -0.463946 -0.282575 -0.308470 0.686132 0.434578 1.293623 7C 5s 0.278840 0.271813 0.175170 0.172679 0.385372 0.158991 7C 1pz -0.051407 0.038538 0.027271 0.011472 0.015592 0.084262 7C 1px 0.068291 -0.049367 -0.034058 0.034000 -0.014614 0.120393 7C 1py 0.085966 -0.107639 0.011797 -0.043003 0.006408 0.086861 7C 2pz -0.092595 -0.008683 -0.775229 0.642003 -0.117629 -1.187391 7C 2px -0.369269 0.391218 -0.065323 0.059608 0.328986 0.136215 7C 2py -0.668442 0.673151 -0.505284 0.625087 0.063751 -0.505763 7C 3pz -0.035874 0.280077 -0.642302 -0.059187 -0.065071 -0.815703 7C 3px -0.549549 0.353804 -0.090499 -0.076104 0.241070 -0.265318 7C 3py -0.147983 0.083330 -0.320703 -0.171927 0.093313 -0.680786 7C 1dz2 -0.134318 0.211416 0.084223 0.082621 0.001362 0.027019 7C 1dxz 0.080417 -0.010082 0.017185 -0.006088 0.009253 0.182939 7C 1dyz 0.099962 -0.178569 0.006139 -0.182701 -0.024890 -0.043169 7C 1dx2y2 -0.100630 0.172824 -0.075856 0.080376 -0.055754 -0.150057 7C 1dxy 0.014945 0.124934 -0.033606 0.115667 -0.000897 0.088060 7C 2dz2 -0.058403 0.311114 -0.315921 0.181607 0.081425 -0.320651 7C 2dxz -0.118340 -0.026194 -0.200001 -0.051998 -0.395542 -1.724654 7C 2dyz -0.140373 0.276429 -0.191796 0.483146 -0.022725 -0.363170 7C 2dx2y2 0.190050 -0.794508 0.286079 -0.355721 0.260190 1.145454 7C 2dxy -0.117511 -0.053866 0.170360 0.092451 -0.099126 -0.250664 7C 1f0 0.120959 -0.275709 -0.002709 -0.105050 -0.007627 0.044740 7C 1f+1 -0.082923 0.088341 0.073570 0.019307 0.062224 0.227205 7C 1f-1 0.024681 0.036837 -0.070780 0.165234 0.027646 0.091663 7C 1f+2 0.179040 -0.084696 -0.027335 -0.082533 -0.044147 -0.106969 7C 1f-2 0.061988 -0.111104 -0.004612 -0.059248 0.026395 -0.159890 7C 1f+3 -0.101328 -0.039506 -0.088611 -0.079758 -0.013225 -0.046508 7C 1f-3 0.211252 -0.225707 0.060952 0.007083 -0.008329 0.117450 8C 1s 0.003554 0.002232 0.007293 0.009080 0.000729 0.001146 8C 2s 0.010750 0.006679 0.021929 0.027994 0.000868 0.004363 8C 3s 0.017364 0.062242 -0.089304 0.063461 -0.043432 -0.136324 8C 4s -0.453394 -0.589711 -0.846153 -1.477716 -0.734181 0.655213 8C 5s -0.826732 -0.561754 -0.286603 -0.103858 -0.043167 -0.921933 8C 1pz 0.008403 0.009505 0.037343 0.049847 -0.030708 0.018083 8C 1px 0.007804 -0.029953 0.048007 -0.035421 0.163108 -0.049299 8C 1py 0.008917 0.015736 -0.057579 0.003766 -0.039326 -0.052021 8C 2pz -0.087609 0.123743 0.061300 -0.163806 1.018914 -0.346619 8C 2px -0.148941 0.211100 -0.507136 0.162527 -0.388733 0.204443 8C 2py -0.239457 -0.266988 -0.699294 -0.945831 -0.436665 0.499459 8C 3pz 0.123499 0.137796 0.218645 0.137703 0.082145 0.043815 8C 3px 0.089713 0.063200 -0.005635 0.061378 -0.103705 0.226071 8C 3py -0.277409 -0.191596 -0.129202 -0.184075 -0.010011 -0.120144 8C 1dz2 0.042026 0.006289 0.131765 0.050197 0.127226 0.001755 8C 1dxz 0.020501 -0.000871 0.020152 -0.012983 0.195747 -0.097193 8C 1dyz -0.047439 -0.059794 -0.008556 -0.118737 0.114989 0.003798 8C 1dx2y2 -0.031342 -0.000276 -0.077954 -0.058229 0.113376 -0.014877 8C 1dxy 0.013133 -0.018745 0.107876 0.004524 0.062187 -0.023218 8C 2dz2 0.084853 0.059730 0.038848 0.351697 -0.426941 -0.002643 8C 2dxz -0.035264 -0.067949 -0.201277 -0.106328 -0.481576 0.154399 8C 2dyz 0.056867 0.117760 -0.026817 0.273334 -0.063924 -0.203027 8C 2dx2y2 0.085628 0.036734 0.418166 0.219962 0.399529 -0.218476 8C 2dxy -0.078222 0.148163 -0.151026 0.167117 -0.160666 0.147264 8C 1f0 -0.042046 0.025841 -0.093898 -0.168680 0.110570 0.012665 8C 1f+1 0.071181 -0.166491 0.041691 -0.036465 0.091379 -0.062485 8C 1f-1 -0.039906 -0.041116 -0.079345 -0.115476 -0.043414 0.016417 8C 1f+2 -0.023604 0.042124 0.019534 -0.014625 -0.063127 0.044771 8C 1f-2 -0.030808 -0.150029 -0.202646 -0.235913 0.091487 -0.054450 8C 1f+3 -0.031615 -0.008091 -0.104320 -0.032064 0.124569 -0.061152 8C 1f-3 0.012436 -0.080812 -0.039563 -0.027211 -0.047423 0.012221 9C 1s -0.000106 0.004194 -0.001668 0.006232 0.000672 -0.005328 9C 2s -0.000284 0.012811 -0.004708 0.018933 0.001816 -0.014149 9C 3s -0.105377 -0.055347 -0.144225 0.116666 0.051261 0.031236 9C 4s 0.646795 -0.505130 1.013660 -1.315864 -0.128677 1.136622 9C 5s -0.140388 -0.175283 0.584255 0.160254 -0.259532 0.488850 9C 1pz 0.039135 0.030943 0.037499 -0.019640 -0.006731 -0.005583 9C 1px 0.000875 0.000041 0.026186 -0.030595 -0.040718 -0.153810 9C 1py -0.013908 0.042374 0.021741 -0.004034 -0.026448 -0.073831 9C 2pz -0.573174 0.541171 -0.532841 0.758775 -0.031088 -0.796554 9C 2px 0.042241 -0.016034 -0.119791 0.371164 0.176367 0.871677 9C 2py 0.039262 -0.284640 -0.437055 0.107380 0.058067 -0.362648 9C 3pz -0.090354 0.078676 -0.222145 0.030478 0.096606 -0.279063 9C 3px 0.120489 -0.068976 0.014562 0.092877 0.003716 0.187833 9C 3py 0.004045 0.136450 -0.183502 0.130568 0.048751 -0.029348 9C 1dz2 -0.017453 0.036486 -0.020450 0.063089 0.032723 0.073469 9C 1dxz 0.001415 -0.026551 0.042492 0.002720 0.001132 0.016906 9C 1dyz -0.026251 -0.021542 -0.075330 0.084549 0.041791 0.129318 9C 1dx2y2 0.036565 -0.027030 0.049073 0.003586 0.037028 0.226456 9C 1dxy -0.015292 -0.076003 0.015739 -0.021990 -0.005316 0.002268 9C 2dz2 0.275133 -0.279409 0.130059 -0.298193 0.026503 0.307381 9C 2dxz -0.037606 -0.120270 0.077783 -0.109336 -0.007873 -0.010552 9C 2dyz 0.074789 0.105902 0.290624 -0.311637 -0.103534 -0.165466 9C 2dx2y2 -0.099703 0.105397 -0.128804 -0.054463 -0.107857 -0.733320 9C 2dxy 0.099971 -0.051507 0.050507 -0.182929 -0.054941 -0.243436 9C 1f0 -0.013069 0.032233 -0.009128 0.028878 -0.013568 0.023404 9C 1f+1 -0.170203 0.078703 -0.076144 -0.055830 0.033481 -0.023715 9C 1f-1 0.073251 -0.095557 -0.056329 0.124682 -0.024060 -0.040094 9C 1f+2 0.337394 -0.335034 0.044308 -0.115218 -0.063022 0.047748 9C 1f-2 0.202009 -0.108176 0.021406 0.027184 -0.001275 0.028268 9C 1f+3 -0.204240 0.232491 -0.015985 0.117374 0.050593 0.090335 9C 1f-3 0.435708 -0.321056 -0.011746 0.032070 -0.087408 -0.107447 10H 1s -0.020159 -0.000749 0.009175 0.019915 -0.039809 -0.140894 10H 2s 0.095150 0.207959 -0.022177 0.204419 -0.113395 -0.626443 10H 3s 0.045464 0.002091 -0.058012 -0.033149 -0.028881 -0.092696 10H 1pz 0.157416 0.119469 -0.043048 0.083261 -0.002213 -0.179105 10H 1px 0.055382 -0.015949 -0.019845 -0.060913 0.019081 -0.004623 10H 1py -0.169176 -0.071877 0.034768 0.002647 -0.045301 -0.093757 11H 1s 0.002686 -0.063656 -0.049778 -0.009039 0.017798 0.036464 11H 2s 0.212659 0.138224 0.089974 -0.137141 -0.016069 0.366861 11H 3s -0.003714 -0.061135 0.009141 0.008132 -0.001684 -0.099090 11H 1pz -0.008315 0.033179 0.054699 -0.095340 -0.039927 0.035173 11H 1px 0.216310 0.172460 0.011246 -0.038992 0.044581 0.200022 11H 1py 0.181377 0.162507 -0.054638 -0.140281 0.045861 0.083306 12H 1s 0.019625 0.050463 -0.014033 -0.065649 0.030688 0.163908 12H 2s -0.343463 -0.375497 0.072037 0.284374 -0.012121 0.221372 12H 3s 0.115888 0.161462 -0.012301 -0.173258 0.002594 0.060873 12H 1pz -0.092912 -0.083130 -0.025330 -0.005489 0.018278 0.112108 12H 1px -0.281764 -0.271960 0.034664 0.075076 -0.030997 0.060288 12H 1py -0.048184 -0.069432 0.016573 0.149470 -0.021702 -0.034445 13H 1s -0.001165 -0.011953 -0.007228 0.023100 0.162758 -0.020876 13H 2s 0.067229 -0.039597 0.364020 0.097489 0.536872 -0.059664 13H 3s 0.009429 0.007462 -0.003219 -0.065359 0.089850 -0.116990 13H 1pz 0.015521 -0.077495 0.117486 0.046098 0.110102 -0.002935 13H 1px -0.017518 -0.029913 -0.000051 -0.029667 -0.002414 -0.035266 13H 1py -0.023331 -0.052993 -0.074343 -0.007409 -0.132281 0.026119 14H 1s 0.009165 0.012922 0.057082 -0.056265 -0.163658 0.038082 14H 2s 0.150280 -0.059373 -0.526764 0.498541 0.210919 0.062863 14H 3s 0.011374 0.009632 0.206972 -0.192688 -0.123519 -0.033930 14H 1pz 0.039795 0.049238 -0.071212 0.099846 0.142701 0.039203 14H 1px 0.057577 -0.070059 -0.231078 0.233921 0.133922 -0.029369 14H 1py -0.027318 -0.006724 0.136465 -0.056122 0.059752 -0.026598 15H 1s -0.004253 0.029566 -0.072386 -0.024042 -0.052023 -0.040746 15H 2s -0.051556 -0.065854 0.052758 -0.169671 -0.360544 -0.017045 15H 3s 0.004959 0.002141 -0.031184 -0.011185 0.069093 -0.043590 15H 1pz -0.052482 0.039202 0.102130 -0.166952 -0.043636 -0.001573 15H 1px -0.020418 0.083076 0.104958 -0.149507 -0.229672 0.065890 15H 1py 0.057497 0.053013 -0.100398 0.123504 0.099402 0.001017 16H 1s -0.008338 0.014569 -0.034904 -0.019509 -0.029961 -0.016301 16H 2s -0.076646 -0.004874 0.064936 0.372252 0.150397 0.410832 16H 3s -0.019765 0.031027 -0.009962 -0.083219 -0.023009 -0.110650 16H 1pz -0.035022 0.001038 -0.003540 0.123619 0.033059 0.152363 16H 1px 0.003486 0.014301 -0.012863 0.008225 -0.009127 0.006252 16H 1py -0.001771 -0.005000 0.003560 0.020883 0.012061 0.030307 17H 1s -0.003777 0.002433 -0.029648 -0.016448 -0.038986 0.021911 17H 2s -0.132398 0.075137 -0.010625 0.322747 0.129665 0.249190 17H 3s 0.038292 -0.009488 0.008624 -0.052687 -0.031013 -0.004665 17H 1pz 0.041908 -0.029391 0.021529 -0.084297 -0.015428 -0.077455 17H 1px 0.028692 -0.010184 0.013196 -0.062114 -0.014288 -0.058303 17H 1py -0.022408 0.010079 -0.016790 0.026805 -0.006137 0.030023 18H 1s 0.004751 -0.003576 0.028984 -0.019825 0.037538 -0.016725 18H 2s -0.070522 -0.059411 0.031779 0.310119 -0.111106 -0.264707 18H 3s 0.022817 0.007208 -0.014556 -0.049210 0.029064 0.006820 18H 1pz -0.016170 -0.025757 0.027549 0.079324 -0.011740 -0.080064 18H 1px -0.014802 -0.006824 0.017214 0.058950 -0.010706 -0.061700 18H 1py 0.012190 0.007762 -0.019285 -0.021222 -0.008283 0.029847 19H 1s 0.003446 -0.015110 0.033911 -0.023178 0.027736 0.012911 19H 2s -0.010088 0.016707 -0.047438 0.362129 -0.125369 -0.396054 19H 3s -0.029619 -0.030355 0.011011 -0.080733 0.020697 0.108466 19H 1pz 0.001300 -0.002972 -0.009722 -0.116213 0.024580 0.146818 19H 1px -0.008452 0.014833 -0.012078 -0.005858 -0.008662 0.005889 19H 1py -0.004118 -0.005520 0.003163 -0.023448 0.011164 0.032615 20H 1s -0.022840 -0.029073 0.071965 -0.023539 0.048606 0.036305 20H 2s -0.005012 0.062888 -0.055606 -0.190323 0.351285 -0.010947 20H 3s -0.010655 -0.003109 0.030902 -0.004218 -0.070335 0.052853 20H 1pz 0.074466 0.038102 0.097514 0.164813 -0.036813 0.002072 20H 1px 0.017038 0.086702 0.111104 0.159683 -0.221603 0.081733 20H 1py -0.042457 0.055348 -0.095534 -0.128054 0.093088 -0.007032 21H 1s -0.003253 -0.012855 -0.059289 -0.059297 0.158330 -0.052463 21H 2s 0.252503 0.056653 0.523259 0.484857 -0.176205 -0.064930 21H 3s -0.020414 -0.010579 -0.214985 -0.188400 0.111802 0.026097 21H 1pz -0.084966 0.054265 -0.066051 -0.095352 0.132613 0.028252 21H 1px -0.087143 -0.071372 -0.234245 -0.233426 0.118206 -0.036492 21H 1py 0.034334 -0.006421 0.136704 0.051041 0.061448 -0.041735 22H 1s 0.007950 0.011712 0.006775 0.026537 -0.158390 0.033178 22H 2s 0.044578 0.035123 -0.369420 0.128163 -0.531145 0.140111 22H 3s 0.000902 -0.009113 -0.001965 -0.059434 -0.089753 0.125565 22H 1pz -0.002362 -0.081078 0.112613 -0.056834 0.108337 -0.020740 22H 1px 0.037067 -0.032462 -0.003448 0.025848 -0.001028 -0.027841 22H 1py 0.012429 -0.057398 -0.081102 0.014560 -0.131760 0.048960 23H 1s -0.004250 -0.051025 0.014234 -0.061403 -0.031912 -0.147131 23H 2s -0.201496 0.394776 -0.042645 0.257022 0.010871 -0.220087 23H 3s 0.064984 -0.167553 -0.001476 -0.164987 -0.006451 -0.053106 23H 1pz 0.070331 -0.090200 -0.034654 0.009244 0.018151 0.097335 23H 1px 0.263117 -0.299379 0.005781 -0.066962 -0.031936 0.062358 23H 1py -0.021170 -0.070179 0.014254 -0.137279 -0.021376 -0.019645 24H 1s 0.012911 0.063507 0.048660 -0.010070 -0.016948 -0.031910 24H 2s 0.143033 -0.159606 -0.113754 -0.134029 0.009599 -0.342641 24H 3s 0.016545 0.063415 -0.011860 0.009658 0.001920 0.091792 24H 1pz 0.055505 0.027453 0.054743 0.091356 -0.037096 0.032536 24H 1px -0.197391 0.194531 0.033489 0.035107 0.045659 0.182077 24H 1py -0.152856 0.178179 -0.035316 0.131950 0.049357 0.072314 25H 1s -0.005533 -0.000557 -0.008393 0.015851 0.039292 0.126857 25H 2s 0.119670 -0.212152 0.012882 0.202187 0.116382 0.549017 25H 3s 0.056132 -0.006933 0.049257 -0.035855 0.025769 0.082026 25H 1pz -0.180393 0.135758 -0.026764 -0.082868 -0.003762 -0.157023 25H 1px -0.051786 -0.007836 -0.013325 0.058555 0.020437 -0.014112 25H 1py 0.193988 -0.093332 0.016336 -0.003856 -0.045317 -0.081961 26O 1s 0.017937 -0.007466 0.020901 0.019795 0.018531 0.006297 26O 2s 0.061440 -0.028712 0.072109 0.068714 0.064784 0.027503 26O 3s -0.435636 0.305403 -0.562822 -0.516466 -0.497362 -0.354248 26O 4s 0.756793 -1.050630 1.186616 1.029191 0.944775 1.287846 26O 5s -1.258940 -0.093778 -0.375626 -1.019380 -1.064304 -0.432800 26O 1pz 0.035338 -0.009545 -0.092309 -0.060821 0.047809 0.258095 26O 1px 0.013192 0.104008 0.036237 -0.064388 -0.089161 -0.311419 26O 1py 0.052769 -0.007828 -0.097350 0.039094 -0.021525 0.039401 26O 2pz -0.036421 0.058283 0.139307 0.142098 -0.118359 -0.714565 26O 2px 0.061386 0.126999 -0.217025 0.160306 0.191185 0.261795 26O 2py -0.051915 0.216855 0.152197 -0.111053 0.032661 -0.326412 26O 3pz 0.094775 0.036634 -0.254696 -0.338801 -0.173360 -0.194693 26O 3px 0.302955 0.090155 -0.112527 -0.327669 0.015261 -0.353477 26O 3py 0.210705 0.186844 -0.234730 -0.260647 -0.071365 -0.267084 26O 1dz2 -0.007608 -0.003391 -0.000454 -0.002493 -0.000518 0.007523 26O 1dxz 0.001762 -0.008072 0.001179 0.000140 -0.000235 0.005404 26O 1dyz -0.002968 -0.000153 -0.003753 -0.005841 -0.002971 -0.000824 26O 1dx2y2 0.007909 0.007202 0.001224 0.004988 -0.002436 -0.019519 26O 1dxy -0.000466 0.001258 0.005921 -0.000507 0.003984 -0.008116 26O 2dz2 -0.019097 -0.021979 -0.013537 -0.003091 0.034000 0.049508 26O 2dxz 0.032071 -0.032449 0.002509 -0.048885 0.072461 0.229735 26O 2dyz -0.018830 0.002116 -0.027353 -0.042775 0.039537 0.157910 26O 2dx2y2 -0.077958 0.067932 0.066385 -0.098599 -0.083383 -0.137137 26O 2dxy -0.011936 -0.086635 -0.040372 0.075219 0.005972 0.028200 26O 1f0 -0.027852 -0.020124 0.007715 0.010384 -0.002039 0.008725 26O 1f+1 -0.005878 -0.010918 -0.000675 -0.005846 0.002427 0.019591 26O 1f-1 -0.009427 -0.003419 -0.000899 -0.002011 -0.002267 0.008281 26O 1f+2 0.017197 0.000354 -0.004109 -0.005936 0.006192 -0.024516 26O 1f-2 -0.003718 0.001365 -0.007656 0.003381 0.002607 -0.002338 26O 1f+3 0.016635 -0.003685 -0.012081 0.005545 -0.003454 -0.007233 26O 1f-3 -0.010399 -0.020297 0.008844 -0.001609 0.007039 0.048390 27O 1s 0.004630 -0.003152 -0.010714 -0.002668 -0.026100 -0.000443 27O 2s 0.015790 -0.011488 -0.040215 -0.009124 -0.094602 -0.002159 27O 3s -0.120322 0.131170 0.384315 0.043630 0.822690 0.046932 27O 4s 0.243213 -0.507451 -1.143591 0.197006 -2.028588 -0.302682 27O 5s 0.026635 -0.580424 0.468082 0.612488 1.737520 -0.523548 27O 1pz 0.044069 0.083407 -0.208466 0.096217 -0.124351 -0.013244 27O 1px 0.002930 -0.010290 0.132937 0.080694 0.278401 -0.061513 27O 1py -0.014381 -0.029407 0.029728 -0.019053 0.217757 0.023869 27O 2pz -0.105837 -0.195452 0.533193 -0.231901 0.257822 0.014402 27O 2px -0.036843 0.271743 0.026081 -0.313146 -0.263596 0.338119 27O 2py 0.032019 -0.009884 -0.117772 0.049401 -0.649225 -0.073598 27O 3pz 0.038839 0.037730 0.197550 0.081538 0.213387 -0.154654 27O 3px -0.011166 0.321586 0.152459 -0.167154 0.022930 -0.230718 27O 3py -0.054388 -0.059098 -0.152836 0.034163 -0.230798 0.371281 27O 1dz2 -0.003200 0.001499 -0.006857 -0.005698 -0.006270 -0.000124 27O 1dxz 0.000854 -0.003753 -0.004045 0.004001 -0.013168 0.000236 27O 1dyz 0.001932 0.000900 -0.005996 0.004710 -0.003525 0.000532 27O 1dx2y2 -0.000451 0.000981 0.009340 0.000647 0.008260 -0.000978 27O 1dxy -0.000203 -0.000392 0.009016 -0.005594 0.000703 0.007447 27O 2dz2 -0.002196 0.026911 0.011332 -0.013272 -0.060205 0.023566 27O 2dxz 0.052126 0.079100 -0.288892 0.105924 -0.070844 -0.029913 27O 2dyz -0.011534 -0.021526 0.037206 0.005890 -0.005983 -0.007439 27O 2dx2y2 -0.006247 -0.037659 0.003860 0.044725 0.170563 -0.010975 27O 2dxy 0.002036 0.008050 -0.036208 0.085116 0.302589 0.034644 27O 1f0 0.000188 -0.003300 -0.000334 -0.000389 -0.015590 0.008010 27O 1f+1 0.008369 -0.006331 -0.024032 0.014714 -0.031410 -0.000879 27O 1f-1 0.002614 -0.002179 -0.005090 0.005718 0.011211 -0.000152 27O 1f+2 -0.000593 0.007114 -0.002220 -0.007508 0.003091 -0.019479 27O 1f-2 -0.002158 -0.001882 0.006669 -0.005818 0.000447 -0.011388 27O 1f+3 -0.001819 -0.008006 0.003123 -0.012896 -0.023609 -0.006107 27O 1f-3 0.004387 0.009604 0.028180 -0.013571 0.005783 -0.007064 28O 1s -0.021676 -0.009516 0.007314 -0.013435 -0.006669 0.020489 28O 2s -0.072434 -0.032948 0.025161 -0.048018 -0.021463 0.076760 28O 3s 0.496178 0.260685 -0.216242 0.386061 0.105823 -0.784276 28O 4s -0.832585 -0.650024 0.557348 -0.770696 0.162484 2.807721 28O 5s 0.912614 0.629178 0.066116 0.933201 0.490700 -0.022246 28O 1pz -0.135458 -0.198759 -0.036522 0.140421 0.027675 0.056851 28O 1px 0.029727 -0.136744 -0.005556 0.006364 0.010233 0.013058 28O 1py 0.161218 0.060297 -0.062129 -0.024507 0.036306 0.099577 28O 2pz 0.220327 0.501070 -0.042391 -0.270390 -0.201405 -0.703483 28O 2px 0.054015 0.292943 0.105878 -0.072944 0.163949 0.672749 28O 2py -0.405975 -0.158755 0.099737 0.070839 -0.096625 -0.355792 28O 3pz -0.269875 -0.071902 -0.336727 0.172306 -0.193928 -0.327212 28O 3px 0.139483 0.028063 0.202038 0.215906 0.103999 0.122022 28O 3py 0.025277 0.107802 -0.192652 0.028175 -0.011907 -0.153725 28O 1dz2 0.005830 0.002570 -0.000589 0.005265 0.001936 0.005608 28O 1dxz 0.009315 -0.000848 0.001188 -0.000398 0.000295 -0.011315 28O 1dyz 0.000991 -0.002578 0.001149 0.007751 -0.000786 -0.011347 28O 1dx2y2 -0.011829 -0.005664 0.001824 0.003314 0.000033 -0.006306 28O 1dxy 0.009397 0.011593 -0.001079 -0.005798 -0.002431 -0.002290 28O 2dz2 -0.144890 -0.255726 -0.020265 0.089313 -0.023780 0.000885 28O 2dxz 0.002165 0.041928 -0.014174 -0.014312 -0.034427 -0.116593 28O 2dyz 0.207682 0.141042 -0.015784 -0.060174 -0.002572 0.004552 28O 2dx2y2 0.058851 0.120489 0.042597 -0.006335 0.026434 -0.027610 28O 2dxy -0.188107 -0.149501 0.022117 0.120294 -0.041992 -0.234933 28O 1f0 -0.006081 -0.008032 0.001972 -0.003727 0.002161 0.001284 28O 1f+1 0.030113 0.025877 0.021742 -0.011138 0.006934 0.017260 28O 1f-1 0.009670 0.010370 0.005705 0.001479 -0.003863 -0.034139 28O 1f+2 -0.015180 -0.001344 -0.001757 0.003696 -0.007767 -0.025179 28O 1f-2 -0.022620 -0.030631 0.010561 0.028594 0.005289 -0.004498 28O 1f+3 0.007501 0.012333 0.006952 0.003453 -0.006425 -0.032185 28O 1f-3 -0.015356 -0.030087 0.011799 0.034123 -0.002638 -0.033514 29O 1s -0.002989 0.004522 -0.000338 0.010723 0.004986 0.015608 29O 2s -0.009810 0.015279 -0.000585 0.036115 0.017462 0.052276 29O 3s 0.058072 -0.105977 -0.003858 -0.234401 -0.125945 -0.345448 29O 4s -0.106957 0.166351 0.008242 0.432716 0.229466 0.587107 29O 5s 0.351480 -0.169847 0.036369 -1.097031 -0.418664 -1.175654 29O 1pz 0.004880 -0.012936 0.005906 -0.025250 -0.002308 -0.053085 29O 1px -0.015429 0.052104 -0.024377 0.046229 0.002805 0.099146 29O 1py 0.017202 -0.001288 0.014417 -0.025826 -0.004497 -0.038996 29O 2pz -0.011708 0.009022 0.002327 0.100342 0.030160 0.176978 29O 2px 0.066344 -0.111465 0.059233 -0.172408 -0.025433 -0.267589 29O 2py -0.066950 0.010904 -0.044226 0.132314 0.023583 0.170906 29O 3pz 0.042509 -0.041928 0.057039 -0.052311 -0.026459 -0.044581 29O 3px -0.075569 0.035230 -0.034814 0.274779 0.071560 0.338137 29O 3py -0.063793 0.053963 0.081677 0.256621 0.143076 0.147891 29O 1dz2 -0.000329 -0.001759 0.000135 0.002120 -0.000158 0.003744 29O 1dxz -0.001937 0.000390 -0.002208 0.001452 0.000534 -0.001309 29O 1dyz -0.000017 -0.000665 0.001775 0.001945 0.002523 0.001674 29O 1dx2y2 0.000888 0.002103 -0.000631 -0.003615 -0.001499 -0.003093 29O 1dxy 0.001306 -0.001302 -0.002022 -0.003106 -0.002355 0.001590 29O 2dz2 0.009162 -0.005557 0.005884 -0.024863 -0.008807 -0.037167 29O 2dxz 0.010294 -0.005692 0.002033 -0.010594 0.006534 -0.033707 29O 2dyz -0.002018 0.004621 -0.000296 -0.014765 0.000318 -0.031963 29O 2dx2y2 0.000346 0.012601 -0.001613 -0.004651 0.001231 0.003680 29O 2dxy -0.020682 0.015784 -0.034214 0.034347 -0.015392 0.064311 29O 1f0 -0.001205 0.000842 0.002851 0.006073 0.004641 0.004881 29O 1f+1 0.001412 -0.000953 -0.000757 -0.003619 -0.002713 -0.001446 29O 1f-1 -0.000066 -0.001380 0.005585 0.004997 0.006432 0.002634 29O 1f+2 -0.001086 -0.000438 -0.000988 -0.001520 -0.000842 -0.004913 29O 1f-2 -0.000147 0.000210 0.003191 0.004192 0.004914 -0.000719 29O 1f+3 -0.000621 -0.001837 0.000930 0.003407 0.001519 0.002600 29O 1f-3 -0.000516 0.001269 -0.001453 -0.002985 -0.001754 -0.002816 30O 1s -0.009605 -0.006130 -0.018006 0.017671 -0.008913 0.025410 30O 2s -0.033921 -0.020207 -0.064035 0.060631 -0.038622 0.088054 30O 3s 0.257118 0.132673 0.569090 -0.455785 0.517734 -0.682371 30O 4s -0.467706 -0.129748 -1.699643 0.940777 -2.274988 1.432712 30O 5s 0.847646 0.162309 0.488007 -1.006839 -0.364931 -1.136884 30O 1pz 0.041661 0.022426 0.072122 -0.086905 -0.077339 -0.092054 30O 1px -0.006748 0.015149 -0.084049 0.092649 -0.094563 -0.109637 30O 1py -0.089105 0.024026 0.200542 -0.120780 -0.051034 0.149074 30O 2pz -0.103100 -0.094658 0.028635 0.193379 0.670384 0.134274 30O 2px 0.023288 0.039733 -0.104113 -0.216559 -0.416937 0.340929 30O 2py 0.191872 -0.041921 -0.684896 0.289847 -0.358365 -0.279910 30O 3pz 0.127971 0.094230 0.081630 -0.340893 0.471004 0.004919 30O 3px 0.112073 0.010712 -0.006840 0.045615 -0.235254 -0.313668 30O 3py -0.179589 -0.081201 0.046754 0.232359 -0.566605 0.123135 30O 1dz2 0.000372 0.000411 -0.005951 0.003249 0.000513 -0.000186 30O 1dxz -0.000551 0.004240 0.008749 -0.006037 -0.011594 -0.005614 30O 1dyz -0.004129 -0.000667 0.001385 -0.000326 -0.010434 -0.001362 30O 1dx2y2 -0.000804 -0.000190 0.004507 -0.002918 0.003256 0.000454 30O 1dxy 0.001249 0.000301 -0.000406 -0.001884 -0.010431 0.006451 30O 2dz2 -0.020431 0.044663 0.123260 -0.122100 -0.225098 0.025041 30O 2dxz 0.015798 -0.025084 -0.155499 0.142425 0.192365 -0.031792 30O 2dyz -0.017477 -0.009356 0.004665 0.018178 0.044023 0.041827 30O 2dx2y2 -0.012085 0.016730 0.191825 -0.132509 0.020925 0.056999 30O 2dxy 0.013780 -0.012025 -0.168865 0.082971 -0.046068 -0.012289 30O 1f0 0.003040 0.003026 -0.020378 -0.000871 -0.036773 0.004896 30O 1f+1 0.009277 -0.007865 -0.040397 0.046661 0.045747 -0.006043 30O 1f-1 0.001109 -0.004186 -0.013906 0.014837 0.001335 0.004616 30O 1f+2 -0.004664 -0.004534 0.024930 -0.019308 -0.013716 0.005943 30O 1f-2 0.000273 -0.002457 0.021048 -0.007420 0.029536 -0.001936 30O 1f+3 0.000417 -0.008221 0.017940 0.001129 -0.001663 0.001056 30O 1f-3 0.004077 -0.001121 -0.017050 0.019151 0.025288 0.002262 31O 1s -0.005003 0.007100 0.019627 0.015812 0.009385 -0.028635 31O 2s -0.018251 0.023596 0.069634 0.053924 0.040081 -0.100278 31O 3s 0.130062 -0.157749 -0.608268 -0.393668 -0.525247 0.805664 31O 4s -0.145324 0.174952 1.756525 0.747685 2.274043 -1.845445 31O 5s 0.866068 -0.248338 -0.623444 -0.983131 0.343540 1.338172 31O 1pz -0.017577 0.026958 0.082220 0.086231 -0.073427 -0.088860 31O 1px 0.057937 0.012091 -0.081014 -0.098288 -0.094569 -0.089374 31O 1py 0.065132 0.022588 0.192253 0.126954 -0.045186 0.145398 31O 2pz 0.088185 -0.107353 -0.003177 -0.220713 0.654939 0.065792 31O 2px -0.189947 0.049397 -0.099689 0.268023 -0.407439 0.377068 31O 2py -0.188295 -0.037063 -0.660167 -0.274068 -0.365773 -0.209492 31O 3pz -0.130245 0.107522 0.104758 0.329647 0.480321 -0.015066 31O 3px -0.096150 0.019933 0.009058 -0.050067 -0.239228 -0.352972 31O 3py 0.174577 -0.095427 0.023240 -0.215287 -0.568510 0.171308 31O 1dz2 -0.000186 -0.000308 0.005983 0.003305 -0.000538 -0.000769 31O 1dxz -0.002027 -0.004305 -0.009238 -0.006104 0.011024 0.004305 31O 1dyz -0.005418 0.001001 -0.000774 -0.000418 0.010119 -0.000515 31O 1dx2y2 -0.000984 0.000300 -0.004024 -0.002714 -0.003200 0.000183 31O 1dxy 0.002204 -0.000329 0.000302 -0.002607 0.010244 -0.007179 31O 2dz2 -0.048350 -0.045198 -0.129378 -0.127602 0.216145 -0.048064 31O 2dxz 0.021621 0.027189 0.159025 0.147674 -0.183752 0.040675 31O 2dyz -0.004654 0.011865 0.002376 0.017286 -0.043394 -0.041555 31O 2dx2y2 0.007047 -0.019255 -0.190837 -0.133563 -0.025001 -0.039701 31O 2dxy 0.034547 0.012699 0.170664 0.077431 0.049054 -0.002518 31O 1f0 -0.003877 0.003231 -0.019419 0.002854 -0.036304 0.009764 31O 1f+1 -0.013629 -0.007557 -0.040678 -0.047665 0.042911 -0.009491 31O 1f-1 -0.001880 -0.004507 -0.014722 -0.014863 0.000745 0.004908 31O 1f+2 0.005544 -0.004628 0.024559 0.019320 -0.012655 0.005112 31O 1f-2 0.003939 -0.002649 0.020765 0.005418 0.029604 -0.004918 31O 1f+3 -0.001779 -0.007953 0.018406 -0.001190 -0.001890 -0.001016 31O 1f-3 -0.006152 -0.001035 -0.017579 -0.019568 0.023841 -0.000407 32O 1s 0.000828 -0.004239 0.000745 0.009899 -0.004375 -0.015679 32O 2s 0.002891 -0.014350 0.001943 0.033386 -0.015415 -0.052536 32O 3s -0.024130 0.100679 -0.004345 -0.216761 0.112923 0.347591 32O 4s 0.031256 -0.157395 0.008296 0.402800 -0.207246 -0.590683 32O 5s 0.076534 0.135264 -0.094999 -1.038934 0.360762 1.177357 32O 1pz 0.008218 -0.012312 0.005084 0.021371 -0.001914 -0.054061 32O 1px -0.017209 0.051641 -0.025206 -0.038229 0.000519 0.098365 32O 1py -0.003530 -0.000607 0.016129 0.022747 -0.004093 -0.038389 32O 2pz -0.025941 0.006649 0.003098 -0.089159 0.024885 0.170131 32O 2px 0.015838 -0.106869 0.066636 0.153450 -0.016896 -0.269308 32O 2py 0.016240 0.005505 -0.052007 -0.121460 0.018126 0.171324 32O 3pz -0.015201 -0.039442 0.058825 0.047473 -0.028716 -0.058473 32O 3px -0.010487 0.030306 -0.047892 -0.253256 0.059226 0.333320 32O 3py 0.048332 0.043213 0.067450 -0.258293 0.127679 0.148745 32O 1dz2 0.000254 0.001767 -0.000031 0.001980 0.000243 -0.003474 32O 1dxz -0.001346 -0.000261 0.002406 0.001336 -0.000553 0.001162 32O 1dyz -0.000165 0.000776 -0.001721 0.002081 -0.002376 -0.001628 32O 1dx2y2 0.000579 -0.002203 0.000337 -0.003557 0.001288 0.003163 32O 1dxy 0.001692 0.001125 0.001747 -0.003339 0.002217 -0.001746 32O 2dz2 -0.001866 0.004709 -0.007058 -0.022094 0.006195 0.035898 32O 2dxz 0.006043 0.005264 -0.004138 -0.009490 -0.007970 0.034487 32O 2dyz -0.010942 -0.004525 0.000127 -0.013758 -0.001674 0.030500 32O 2dx2y2 0.003961 -0.012059 0.000237 -0.005266 -0.001339 -0.003276 32O 2dxy 0.001295 -0.014246 0.035742 0.028070 0.016819 -0.065311 32O 1f0 0.001066 0.000670 0.002179 -0.005752 0.003791 0.004745 32O 1f+1 -0.000821 -0.000772 -0.000637 0.003821 -0.002643 -0.001518 32O 1f-1 0.001348 -0.001616 0.005329 -0.005803 0.006149 0.002317 32O 1f+2 0.001401 -0.000386 -0.001402 0.001828 -0.001063 -0.004896 32O 1f-2 0.000457 0.000012 0.002956 -0.004194 0.004527 -0.000136 32O 1f+3 0.000781 -0.001964 0.000770 -0.003634 0.001438 0.002391 32O 1f-3 0.000446 0.001331 -0.001404 0.002878 -0.001471 -0.003422 33O 1s -0.020542 0.010331 -0.005139 -0.014115 0.006082 -0.018205 33O 2s -0.069389 0.035695 -0.017863 -0.050180 0.019473 -0.067800 33O 3s 0.489856 -0.279574 0.165439 0.398573 -0.092327 0.685254 33O 4s -0.872451 0.681577 -0.463474 -0.781906 -0.175699 -2.434599 33O 5s 0.902843 -0.661482 -0.165239 0.959060 -0.467016 -0.111137 33O 1pz 0.095176 -0.205505 -0.051904 -0.131688 0.023158 0.053828 33O 1px -0.020453 -0.134169 -0.002025 -0.007466 0.009028 -0.001405 33O 1py -0.140246 0.080070 -0.046480 0.021883 0.036279 0.086425 33O 2pz -0.159807 0.514323 -0.015399 0.256949 -0.187795 -0.619122 33O 2px -0.044347 0.293244 0.108309 0.068220 0.161732 0.610146 33O 2py 0.347187 -0.207020 0.060353 -0.062699 -0.097362 -0.312249 33O 3pz 0.137170 -0.081890 -0.362771 -0.135202 -0.201217 -0.291204 33O 3px -0.089240 0.031195 0.216081 -0.233292 0.099387 0.144459 33O 3py -0.091200 0.118140 -0.186547 -0.012938 -0.011194 -0.126129 33O 1dz2 0.006476 -0.003295 0.000025 0.005069 -0.001672 -0.005121 33O 1dxz 0.007870 0.000696 -0.002279 0.000074 -0.000186 0.011685 33O 1dyz 0.003236 0.002586 -0.001442 0.007312 0.000979 0.009468 33O 1dx2y2 -0.009695 0.006481 -0.000687 0.003023 -0.000066 0.004815 33O 1dxy 0.007131 -0.012339 0.000069 -0.005432 0.002179 0.001874 33O 2dz2 -0.109847 0.270124 0.033069 0.079988 0.026335 0.000786 33O 2dxz -0.002295 -0.045527 0.014366 -0.014300 0.033663 0.104926 33O 2dyz 0.177846 -0.161148 -0.007349 -0.055588 -0.000106 -0.005787 33O 2dx2y2 0.039641 -0.120479 -0.048173 0.000106 -0.025869 0.020821 33O 2dxy -0.142764 0.170528 -0.003784 0.113076 0.044446 0.204973 33O 1f0 0.007626 -0.009380 0.001534 0.003521 0.002061 0.000356 33O 1f+1 -0.016859 0.027939 0.024403 0.008804 0.007079 0.015164 33O 1f-1 -0.007695 0.010967 0.006828 -0.001937 -0.003802 -0.031597 33O 1f+2 0.014268 -0.002736 -0.003491 -0.003377 -0.007607 -0.021012 33O 1f-2 0.016170 -0.032984 0.008039 -0.027914 0.004491 -0.003366 33O 1f+3 -0.003710 0.012432 0.007696 -0.004245 -0.006384 -0.028095 33O 1f-3 0.006703 -0.031317 0.010278 -0.033052 -0.003247 -0.029915 34O 1s 0.005826 0.002525 0.009726 -0.003913 0.025982 0.000395 34O 2s 0.019721 0.009355 0.036816 -0.013591 0.094148 0.001303 34O 3s -0.140963 -0.116349 -0.358937 0.079513 -0.818813 -0.023203 34O 4s 0.212181 0.487636 1.096028 0.127863 2.025045 0.173511 34O 5s -0.088232 0.605245 -0.428689 0.726156 -1.694720 0.641640 34O 1pz -0.048596 0.086349 -0.200455 -0.087576 -0.125732 0.011385 34O 1px 0.007161 -0.010909 0.131240 -0.097425 0.271466 -0.090561 34O 1py -0.017214 -0.027323 0.022727 0.015378 0.211702 -0.007940 34O 2pz 0.138182 -0.203459 0.514057 0.208187 0.263184 -0.040526 34O 2px -0.033921 0.277250 0.029188 0.349510 -0.247041 0.348967 34O 2py 0.038821 -0.015758 -0.103700 -0.036669 -0.634142 0.016184 34O 3pz 0.008199 0.037331 0.198501 -0.105442 0.206829 -0.185522 34O 3px 0.076538 0.320299 0.158583 0.152281 0.027770 -0.228030 34O 3py -0.024899 -0.059585 -0.162977 -0.002312 -0.230349 0.407010 34O 1dz2 -0.001643 -0.001348 0.007000 -0.006368 0.006029 -0.001116 34O 1dxz -0.000288 0.004010 0.004049 0.003727 0.012986 -0.002497 34O 1dyz 0.002129 -0.001053 0.005673 0.004440 0.003783 -0.001121 34O 1dx2y2 -0.000982 -0.001047 -0.009389 0.001305 -0.008115 0.003332 34O 1dxy 0.000497 0.000351 -0.008902 -0.005671 -0.000935 -0.006967 34O 2dz2 0.000163 -0.026751 -0.013522 -0.016799 0.059196 -0.028357 34O 2dxz 0.067458 -0.084170 0.279717 0.096266 0.076153 0.014575 34O 2dyz -0.019709 0.022906 -0.036579 0.008001 0.005236 0.001593 34O 2dx2y2 0.007490 0.037273 -0.001423 0.049919 -0.165817 0.021469 34O 2dxy 0.040958 -0.010266 0.038981 0.088630 -0.291586 -0.007192 34O 1f0 -0.002438 -0.003393 -0.000311 0.001525 -0.015258 0.009463 34O 1f+1 -0.007151 -0.006195 -0.023117 -0.013684 -0.031633 0.003134 34O 1f-1 -0.002669 -0.002260 -0.004988 -0.006211 0.010901 -0.000903 34O 1f+2 0.003961 0.007390 -0.001629 0.006578 0.003217 -0.019829 34O 1f-2 0.006321 -0.002056 0.006763 0.004735 0.000787 -0.011138 34O 1f+3 0.007610 -0.008387 0.003067 0.012502 -0.022382 -0.003796 34O 1f-3 0.002851 0.009958 0.029531 0.011677 0.006801 -0.008320 35O 1s 0.011354 0.006917 -0.021763 0.021960 -0.017461 -0.005218 35O 2s 0.038558 0.026804 -0.074983 0.076167 -0.061041 -0.023125 35O 3s -0.256748 -0.290556 0.580667 -0.572350 0.469196 0.305575 35O 4s 0.370575 1.014144 -1.207288 1.134899 -0.891892 -1.122296 35O 5s -0.948448 0.122660 0.436478 -1.120673 0.976245 0.241313 35O 1pz -0.020616 -0.006986 -0.088356 0.062753 0.046390 0.220956 35O 1px -0.001978 0.103276 0.042752 0.063972 -0.083883 -0.277118 35O 1py -0.104219 0.002473 -0.088380 -0.030288 -0.021283 0.030777 35O 2pz -0.016149 0.055655 0.136586 -0.143617 -0.115075 -0.618854 35O 2px -0.133909 0.126156 -0.218351 -0.155276 0.176093 0.226789 35O 2py 0.171139 0.191703 0.140425 0.089437 0.030704 -0.285471 35O 3pz -0.132351 0.047860 -0.222769 0.354969 -0.150950 -0.145547 35O 3px -0.241225 0.103971 -0.073972 0.313421 0.021420 -0.372759 35O 3py -0.214670 0.201817 -0.197205 0.263105 -0.057606 -0.238862 35O 1dz2 -0.007072 0.003859 0.001370 -0.002742 0.000454 -0.006655 35O 1dxz 0.002091 0.007507 -0.001363 0.000054 0.000142 -0.004129 35O 1dyz -0.001999 0.000099 0.003874 -0.006082 0.002662 0.000519 35O 1dx2y2 0.008942 -0.007698 -0.002203 0.005076 0.002396 0.016515 35O 1dxy -0.003007 -0.000848 -0.005886 0.000201 -0.004026 0.007247 35O 2dz2 -0.021768 0.026105 0.015914 -0.002667 -0.032862 -0.048307 35O 2dxz -0.026804 0.035567 -0.003139 -0.040426 -0.068989 -0.197856 35O 2dyz -0.026521 -0.001210 0.029527 -0.041940 -0.039824 -0.148815 35O 2dx2y2 -0.127155 -0.055400 -0.059577 -0.094493 0.080015 0.118059 35O 2dxy 0.048714 0.079604 0.039912 0.067558 -0.005867 -0.026495 35O 1f0 0.022191 -0.021837 0.004728 -0.009292 -0.001984 0.009001 35O 1f+1 0.007243 -0.011302 -0.001266 0.005899 0.002529 0.018355 35O 1f-1 0.010529 -0.004340 -0.002086 0.002109 -0.002227 0.008293 35O 1f+2 -0.012340 0.000446 -0.001998 0.004818 0.006037 -0.023870 35O 1f-2 0.001573 0.000935 -0.008138 -0.003053 0.002379 -0.002371 35O 1f+3 -0.019592 -0.002004 -0.010200 -0.005345 -0.003395 -0.006604 35O 1f-3 0.012647 -0.020433 0.007330 0.001442 0.007089 0.043855 528 529 530 531 532 533 3.35769 3.38213 3.38316 3.39879 3.40040 3.42194 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s -0.000177 0.000441 -0.000532 -0.000335 0.000657 0.000052 0Rh 2s 0.002988 -0.003416 0.000660 -0.001611 -0.001819 -0.000146 0Rh 3s 0.000758 0.000554 -0.002767 -0.002970 0.002808 0.000222 0Rh 4s -0.015816 0.018461 -0.004028 0.008069 0.010144 0.000828 0Rh 5s 0.036658 -0.038293 -0.002622 -0.029157 -0.008766 -0.000923 0Rh 6s -0.039054 0.027394 0.044704 0.067703 -0.045718 -0.002523 0Rh 7s 0.024971 0.007509 -0.313100 -0.469586 0.113610 0.018947 0Rh 8s 0.055235 0.057580 -0.052147 -0.081225 0.049637 -0.040306 0Rh 1pz 0.001036 0.010087 0.000239 0.002258 -0.002560 0.001661 0Rh 1px 0.001911 0.005508 -0.003544 -0.004838 0.003167 0.000147 0Rh 1py -0.000242 -0.000136 -0.002736 -0.005800 -0.008438 0.000817 0Rh 2pz -0.004081 -0.039187 -0.000785 -0.008278 0.009951 -0.006556 0Rh 2px -0.007197 -0.021133 0.013088 0.017771 -0.011739 -0.000634 0Rh 2py 0.000980 0.000890 0.010304 0.022476 0.032687 -0.003291 0Rh 3pz 0.010807 0.093548 -0.000469 0.008829 -0.023605 0.018104 0Rh 3px 0.012054 0.044278 -0.015758 -0.019636 0.015171 0.003038 0Rh 3py -0.003054 -0.009990 -0.017643 -0.051827 -0.076249 0.009959 0Rh 4pz -0.014168 -0.096328 0.004924 0.030743 0.021074 -0.029057 0Rh 4px 0.007155 -0.021099 -0.043666 -0.064584 0.035618 -0.009688 0Rh 4py 0.004578 0.038162 -0.006538 0.043856 0.073606 -0.015232 0Rh 5pz 0.018800 0.132990 -0.006037 -0.078318 0.000138 0.055254 0Rh 5px -0.030628 -0.000558 0.129623 0.170168 -0.137085 0.022926 0Rh 5py -0.006472 -0.069542 0.033725 -0.043631 -0.097927 0.017532 0Rh 6pz 0.264474 0.969524 0.133776 -0.134440 -1.114749 -0.029487 0Rh 6px 0.117569 0.449021 -0.146231 0.238069 1.305356 -0.108619 0Rh 6py 0.173942 -0.495962 -0.196944 -0.549935 -0.891716 0.286862 0Rh 1dz2 -0.005162 0.012510 0.000970 0.008473 0.005421 -0.014582 0Rh 1dxz 0.007286 0.010577 -0.024356 0.006997 0.001363 -0.003763 0Rh 1dyz 0.003933 -0.012045 0.000999 -0.005587 -0.000434 -0.037410 0Rh 1dx2y2 -0.004811 0.006237 -0.004069 0.020768 -0.026534 -0.016789 0Rh 1dxy -0.001781 -0.004746 -0.001419 -0.012221 -0.001678 -0.005872 0Rh 2dz2 0.000049 0.002539 0.000484 0.002341 -0.000652 -0.000699 0Rh 2dxz 0.000182 0.000431 -0.003374 0.002288 -0.001168 -0.001574 0Rh 2dyz 0.004304 -0.001607 -0.001776 0.001383 -0.002236 -0.002167 0Rh 2dx2y2 0.000570 0.000427 -0.002382 0.001791 -0.003023 -0.001653 0Rh 2dxy 0.001146 -0.000517 -0.002331 -0.001170 0.001252 0.000528 0Rh 3dz2 0.016454 -0.053399 -0.005643 -0.039265 -0.015206 0.052359 0Rh 3dxz -0.025058 -0.037497 0.097046 -0.034063 0.000530 0.019956 0Rh 3dyz -0.034011 0.048083 0.004417 0.012531 0.011719 0.135936 0Rh 3dx2y2 0.013119 -0.022767 0.024528 -0.077785 0.103035 0.064095 0Rh 3dxy 0.000257 0.018333 0.015192 0.046527 -0.000059 0.017380 0Rh 4dz2 0.000310 0.061482 0.013453 0.052104 0.003029 -0.046380 0Rh 4dxz 0.017262 0.030707 -0.103410 0.049407 -0.009565 -0.032014 0Rh 4dyz 0.095647 -0.058566 -0.014786 0.004328 -0.033783 -0.123422 0Rh 4dx2y2 0.003176 0.017123 -0.042257 0.071014 -0.105601 -0.061967 0Rh 4dxy 0.021636 -0.019971 -0.031829 -0.046071 0.014252 -0.009484 0Rh 5dz2 -0.183151 0.000826 -0.090584 0.006251 0.053425 0.077754 0Rh 5dxz 0.027607 0.016290 0.064665 -0.050639 0.017002 0.051052 0Rh 5dyz -0.530393 0.179180 -0.107808 0.016345 0.091983 0.206519 0Rh 5dx2y2 -0.102903 0.072684 0.030394 -0.008331 0.021740 0.020837 0Rh 5dxy -0.193944 0.046056 -0.010896 0.014949 -0.077619 0.079227 0Rh 1f0 -0.005183 -0.000532 -0.000366 0.003075 0.021510 0.011512 0Rh 1f+1 0.010130 -0.020586 0.009806 0.000304 -0.016475 -0.021712 0Rh 1f-1 -0.011794 -0.032706 0.008390 -0.001822 -0.000443 0.021742 0Rh 1f+2 -0.005629 0.022417 -0.001594 0.001385 -0.002032 0.014323 0Rh 1f-2 0.038288 -0.006923 0.001859 0.018843 0.004190 -0.025940 0Rh 1f+3 -0.016198 -0.002278 0.008435 -0.005077 -0.031530 -0.005013 0Rh 1f-3 -0.010174 -0.009438 0.007228 0.005708 0.001628 0.022667 1Rh 1s -0.000299 0.000110 -0.000657 -0.000653 -0.000280 -0.000074 1Rh 2s 0.003878 0.001336 0.002474 -0.000289 0.002497 0.000226 1Rh 3s 0.000573 0.001464 -0.002410 -0.004060 -0.000151 -0.000305 1Rh 4s -0.020607 -0.006937 -0.013720 0.000875 -0.013305 -0.001279 1Rh 5s 0.046182 0.021406 0.020188 -0.019334 0.026586 0.001649 1Rh 6s -0.044016 -0.042823 0.017774 0.083551 -0.010879 0.002699 1Rh 7s 0.055816 0.196293 -0.234219 -0.427144 0.224584 -0.019951 1Rh 8s 0.077059 -0.016918 -0.079921 -0.088239 0.018446 0.032390 1Rh 1pz -0.001112 0.007128 0.006826 -0.003734 -0.000428 0.002117 1Rh 1px -0.002061 0.001652 0.006440 0.005467 -0.000808 0.000289 1Rh 1py 0.000755 -0.002001 0.001881 -0.000826 -0.010236 0.001718 1Rh 2pz 0.004436 -0.027637 -0.026628 0.014151 0.001981 -0.008270 1Rh 2px 0.007777 -0.006666 -0.024330 -0.020099 0.002880 -0.001164 1Rh 2py -0.002925 0.007810 -0.006829 0.003193 0.039654 -0.006699 1Rh 3pz -0.012966 0.065330 0.065364 -0.025744 -0.011482 0.020879 1Rh 3px -0.013516 0.021496 0.042309 0.022424 -0.001306 0.003843 1Rh 3py 0.006725 -0.019436 0.005954 -0.007814 -0.092046 0.015856 1Rh 4pz 0.020636 -0.067809 -0.071053 -0.004569 0.034478 -0.026772 1Rh 4px -0.004581 -0.043430 0.017833 0.074245 -0.016837 -0.008759 1Rh 4py -0.005194 0.022789 0.030579 0.011793 0.084716 -0.012362 1Rh 5pz -0.026951 0.097168 0.098808 0.052263 -0.048510 0.047274 1Rh 5px 0.019985 0.084381 -0.096851 -0.221354 0.011418 0.019999 1Rh 5py 0.006889 -0.026593 -0.071366 -0.025873 -0.103339 0.004595 1Rh 6pz -0.445746 0.802998 0.557569 -0.698325 -0.919361 -0.030015 1Rh 6px 0.042223 0.219097 0.433964 0.672804 1.134181 -0.112376 1Rh 6py -0.219095 -0.476209 -0.196800 -0.161325 -1.030486 0.296947 1Rh 1dz2 -0.006780 -0.009284 -0.008391 0.002701 -0.009567 0.013949 1Rh 1dxz 0.006854 0.009013 -0.024567 0.004401 -0.005885 0.004276 1Rh 1dyz 0.004066 0.007627 0.009305 -0.004561 0.004189 0.037321 1Rh 1dx2y2 -0.001607 -0.001129 -0.006340 0.032847 0.006383 0.017116 1Rh 1dxy 0.002906 0.003983 0.002587 -0.007260 0.008825 0.006021 1Rh 2dz2 -0.000411 -0.002051 -0.001488 0.002154 -0.000987 0.000668 1Rh 2dxz 0.000383 0.002005 -0.002603 0.002474 -0.000642 0.001744 1Rh 2dyz 0.003503 0.002386 -0.000178 0.002287 0.000976 0.002299 1Rh 2dx2y2 0.000614 0.001361 -0.001942 0.003230 0.001170 0.001655 1Rh 2dxy 0.001564 0.001928 -0.001323 -0.001547 -0.000192 -0.000372 1Rh 3dz2 0.023969 0.040525 0.034707 -0.019012 0.036714 -0.050080 1Rh 3dxz -0.024514 -0.039310 0.094295 -0.026017 0.022955 -0.022465 1Rh 3dyz -0.030750 -0.036474 -0.030874 0.004922 -0.018616 -0.136235 1Rh 3dx2y2 0.002231 -0.002483 0.030086 -0.125018 -0.026947 -0.065209 1Rh 3dxy -0.017251 -0.022038 -0.002823 0.031543 -0.028877 -0.018594 1Rh 4dz2 -0.010064 -0.051247 -0.035003 0.036367 -0.035603 0.044423 1Rh 4dxz 0.018773 0.048725 -0.093330 0.043228 -0.026152 0.035679 1Rh 4dyz 0.083977 0.051135 0.030121 0.020395 0.025780 0.124951 1Rh 4dx2y2 0.011038 0.018151 -0.039446 0.120731 0.033914 0.062744 1Rh 4dxy 0.037358 0.034382 -0.008478 -0.040098 0.018198 0.012034 1Rh 5dz2 -0.174703 0.063257 -0.064185 -0.027492 -0.043930 -0.076426 1Rh 5dxz 0.020708 -0.056842 0.031735 -0.047060 0.019538 -0.056600 1Rh 5dyz -0.504725 -0.045871 -0.198697 -0.034109 -0.083142 -0.207180 1Rh 5dx2y2 -0.093124 -0.069763 -0.026124 -0.015741 -0.013140 -0.019655 1Rh 5dxy -0.190468 -0.020672 -0.037679 0.062260 0.049259 -0.085166 1Rh 1f0 0.004712 -0.000948 0.000103 0.010948 0.018382 0.010543 1Rh 1f+1 -0.012882 -0.007442 -0.021757 -0.010762 -0.012447 -0.022806 1Rh 1f-1 0.006098 -0.017054 -0.028914 -0.000236 -0.000764 0.018889 1Rh 1f+2 0.004494 0.014477 0.017169 -0.002665 -0.000808 0.015541 1Rh 1f-2 -0.041549 -0.003274 -0.006085 -0.011438 0.015189 -0.028743 1Rh 1f+3 0.013951 0.004700 -0.008143 -0.016544 -0.026997 -0.004864 1Rh 1f-3 0.005908 -0.001962 -0.011910 -0.004413 0.005395 0.021772 2C 1s -0.000908 0.000800 -0.001260 -0.005840 -0.001165 -0.003629 2C 2s -0.001082 0.003542 -0.002792 -0.019315 -0.004479 -0.007625 2C 3s -0.034179 -0.260951 -0.101672 0.188795 0.161416 -0.194224 2C 4s 0.875074 0.691027 1.068205 0.007369 -1.164876 1.193154 2C 5s -0.473475 -0.502769 -0.591126 1.788874 0.316900 -1.020968 2C 1pz 0.004499 -0.096729 -0.018767 -0.029145 0.020963 -0.014822 2C 1px 0.061866 -0.068076 0.008937 0.122982 -0.044192 -0.042421 2C 1py 0.032057 -0.038522 0.008081 0.146116 0.044802 -0.029842 2C 2pz 0.787165 0.185352 0.861767 0.170097 -0.883781 0.360209 2C 2px -0.439130 0.408046 -0.156027 -0.190267 0.367224 0.058266 2C 2py 0.418612 0.153024 0.481351 -0.452580 -0.612871 0.362012 2C 3pz -0.012256 0.029685 -0.045969 0.514425 0.013336 -0.057455 2C 3px -0.169053 0.062956 -0.125915 0.052047 0.233058 -0.212292 2C 3py -0.075003 -0.121984 -0.030860 0.171188 -0.102029 -0.182295 2C 1dz2 0.030071 -0.010127 0.036788 0.226121 0.052754 -0.032036 2C 1dxz 0.064770 0.014983 0.054312 -0.009136 0.015379 0.003563 2C 1dyz 0.094629 -0.137704 0.010471 -0.028363 -0.050963 0.000812 2C 1dx2y2 0.092221 0.009466 0.046151 0.323638 -0.021328 -0.025337 2C 1dxy 0.031068 -0.087739 0.016968 -0.171497 -0.088482 -0.017699 2C 2dz2 0.258301 0.019142 0.253608 0.110222 -0.305401 0.051869 2C 2dxz 0.004185 -0.103875 0.060851 -0.118125 -0.098047 0.074783 2C 2dyz 0.030024 0.304030 0.215987 -0.253737 -0.224161 0.111874 2C 2dx2y2 -0.406315 0.152535 -0.274763 -0.435216 0.326851 -0.074866 2C 2dxy -0.136971 0.296474 -0.011639 0.277490 0.268940 0.058569 2C 1f0 0.022237 -0.074100 -0.009010 -0.171402 -0.104461 -0.042714 2C 1f+1 0.051627 0.023173 0.068329 -0.057173 -0.047924 0.082322 2C 1f-1 0.000757 0.051583 0.021431 0.148563 -0.034196 -0.021553 2C 1f+2 -0.042916 -0.076026 -0.089244 -0.074985 -0.018906 0.029784 2C 1f-2 -0.015136 -0.037606 0.005663 -0.110759 -0.016197 0.156079 2C 1f+3 -0.028450 0.014783 0.039528 -0.080532 -0.017581 -0.008313 2C 1f-3 0.068997 -0.073215 0.025713 -0.007213 -0.083853 0.045562 3C 1s 0.002360 0.006342 -0.001645 -0.001946 0.001717 0.004970 3C 2s 0.005788 0.021136 -0.006468 -0.005355 0.005960 0.011601 3C 3s -0.063827 -0.259158 0.048082 -0.055237 -0.229817 0.092253 3C 4s -0.852306 0.921312 0.109926 0.845904 0.454460 -1.087474 3C 5s -0.173077 -1.756164 0.941669 -0.246110 -0.734224 -0.208970 3C 1pz -0.005092 -0.066055 0.004063 -0.008432 0.002248 0.019534 3C 1px -0.143722 -0.138415 0.099272 0.015562 -0.058550 0.014001 3C 1py 0.041956 0.001584 0.024740 -0.005300 0.104272 0.031276 3C 2pz -0.881882 0.924533 -0.101208 0.498223 -0.212608 -0.592880 3C 2px 0.442159 0.341950 -0.191453 0.118656 0.359673 0.004810 3C 2py 0.685187 -0.600008 -0.172959 -0.524176 -0.228273 0.202146 3C 3pz -0.139162 -0.039076 0.182097 0.085829 -0.154237 -0.103733 3C 3px 0.190908 -0.082588 0.025830 -0.006346 -0.004256 0.169172 3C 3py 0.098896 0.506722 -0.242445 0.026401 0.043185 0.143852 3C 1dz2 0.123255 0.013996 -0.047156 -0.032906 0.032765 -0.009591 3C 1dxz 0.171367 0.282061 -0.202170 -0.012078 -0.033223 -0.011977 3C 1dyz 0.083669 -0.030731 0.006833 -0.000131 0.131895 0.044896 3C 1dx2y2 0.114881 0.139797 -0.074279 0.008924 -0.043964 -0.011025 3C 1dxy 0.113546 -0.082190 0.063679 -0.038192 0.076817 0.030139 3C 2dz2 -0.279515 0.262660 -0.060119 0.082823 -0.278863 -0.186966 3C 2dxz -0.459389 -0.152268 0.242861 0.129786 -0.019380 -0.187666 3C 2dyz 0.004359 -0.210364 -0.016821 -0.148733 -0.303475 -0.049291 3C 2dx2y2 0.434149 -0.304106 -0.081968 -0.246037 0.216861 0.123238 3C 2dxy -0.220436 -0.323974 0.105889 -0.110895 -0.122226 0.024433 3C 1f0 -0.098336 -0.017574 -0.019565 -0.025550 -0.001237 -0.059835 3C 1f+1 -0.067569 0.064511 -0.048231 0.024075 -0.113563 -0.120308 3C 1f-1 0.050035 0.208970 -0.121997 -0.026217 -0.102350 -0.123938 3C 1f+2 0.029333 0.124312 -0.078686 -0.031804 -0.005672 -0.039097 3C 1f-2 0.001154 -0.047306 0.033639 -0.038108 -0.088248 0.033971 3C 1f+3 -0.084020 0.023608 0.036546 0.032378 -0.003258 -0.122100 3C 1f-3 0.055573 -0.140189 0.014382 -0.054446 0.024448 -0.071322 4C 1s -0.002987 -0.002452 -0.002114 0.002221 0.001706 -0.001757 4C 2s -0.009711 -0.008722 -0.006162 0.009261 0.005226 -0.006574 4C 3s -0.040982 0.479931 0.048210 -0.379809 0.050402 0.224039 4C 4s -0.312109 -2.047060 -0.499341 1.644598 0.302017 -0.962573 4C 5s -0.487087 0.293820 -0.614585 -0.435466 -0.499655 0.274784 4C 1pz -0.061693 0.033394 -0.036389 0.065938 0.067517 -0.038591 4C 1px -0.055824 0.011187 0.001131 0.021708 0.047862 -0.166495 4C 1py -0.045782 0.008000 -0.046317 -0.035591 0.024799 -0.050733 4C 2pz 0.805810 0.003338 0.928206 0.139572 -1.062926 0.320282 4C 2px -0.072862 0.303925 -0.173006 -0.348338 0.083584 1.055911 4C 2py 0.382289 0.073287 0.532841 0.047570 -0.571289 0.413393 4C 3pz -0.543621 -0.538004 -0.839065 1.711745 0.029487 -0.919849 4C 3px 0.151308 -0.221372 -0.076487 0.159824 -0.333162 0.473604 4C 3py -0.250147 -0.169788 -0.597266 1.052965 0.105241 -0.177972 4C 1dz2 0.002279 0.061298 0.001627 -0.066444 -0.027050 0.040979 4C 1dxz 0.094753 -0.031175 0.028283 -0.046669 -0.166198 0.077575 4C 1dyz 0.028122 -0.014504 0.068054 0.001487 -0.008826 0.009561 4C 1dx2y2 -0.043327 -0.001550 -0.036198 -0.268258 0.061352 0.056259 4C 1dxy 0.060734 0.041693 0.030117 0.070161 -0.004284 0.055988 4C 2dz2 -0.317363 0.087703 -0.343591 0.151718 0.230788 -0.444267 4C 2dxz -0.995680 0.602929 -0.652785 -0.791128 0.993992 0.399671 4C 2dyz -0.419812 0.049237 -0.468378 -0.235928 0.300346 -0.206364 4C 2dx2y2 0.727224 -0.659732 0.503653 0.624362 -0.650541 0.035128 4C 2dxy -0.228181 0.009112 -0.173658 -0.000883 0.298937 0.255599 4C 1f0 -0.080981 0.078647 -0.083100 0.022823 0.065028 -0.038751 4C 1f+1 -0.119864 -0.043606 -0.066492 -0.311068 -0.011184 0.060159 4C 1f-1 -0.021392 0.021357 0.034440 -0.106090 -0.041484 -0.040889 4C 1f+2 0.134047 -0.164903 0.109761 -0.196334 -0.173182 -0.019288 4C 1f-2 0.036754 0.087338 0.004867 0.143313 0.061852 0.234925 4C 1f+3 0.039916 0.005847 0.105526 0.188729 -0.013689 -0.099226 4C 1f-3 -0.111101 0.097528 -0.025420 0.138385 0.133679 -0.093351 5C 1s 0.002802 -0.002387 0.001617 -0.000939 -0.002812 0.002146 5C 2s 0.008323 -0.009542 0.006313 -0.001742 -0.009796 0.006274 5C 3s 0.281930 0.186306 -0.191757 -0.060441 0.507296 0.122990 5C 4s -0.698724 -1.275541 0.683110 0.118600 -2.234034 -0.699045 5C 5s 0.651837 0.571969 0.336216 -0.393506 0.248949 -0.440944 5C 1pz 0.026085 -0.000371 -0.018384 -0.022985 -0.007579 -0.038205 5C 1px 0.075480 -0.006331 0.019840 -0.002894 0.048795 0.169981 5C 1py -0.084663 0.126756 -0.043336 0.030307 -0.047326 -0.109146 5C 2pz -0.572309 0.415065 0.261216 0.426654 -0.087097 0.012594 5C 2px 0.175365 0.334153 -0.313815 0.223113 0.038938 -0.942487 5C 2py 1.022198 -0.893851 -0.133782 -0.731907 0.125493 0.821924 5C 3pz 0.055856 -1.063421 0.579166 -0.294144 -0.248671 -0.278363 5C 3px -0.192670 -0.430193 0.247770 -0.149844 -0.403691 -0.828848 5C 3py 0.089332 1.437617 -1.155971 0.329315 0.770887 0.405756 5C 1dz2 0.049215 -0.080045 0.091099 0.006276 -0.003653 0.138666 5C 1dxz -0.177763 -0.169131 0.180597 0.015413 0.004665 0.016974 5C 1dyz -0.035795 0.038012 0.001550 -0.031653 -0.048616 -0.080617 5C 1dx2y2 0.025643 -0.098465 -0.017089 -0.046011 -0.016531 0.069707 5C 1dxy 0.077714 -0.117786 0.028597 -0.045661 0.071145 0.092009 5C 2dz2 0.117910 0.197389 -0.170868 -0.049786 0.167843 0.143993 5C 2dxz 1.237307 -0.148512 -0.367465 -0.404187 0.680100 0.214330 5C 2dyz 0.134076 0.189894 -0.163421 0.193812 0.228305 -0.115646 5C 2dx2y2 -0.944604 0.526458 0.011777 0.596595 -0.465265 -0.839166 5C 2dxy -1.409120 0.014247 0.521121 0.419791 -0.496248 0.003763 5C 1f0 0.168147 0.074967 -0.127919 -0.035276 -0.042587 -0.062587 5C 1f+1 0.040557 -0.322991 0.143583 -0.077882 0.174602 0.098911 5C 1f-1 -0.085234 0.021216 -0.035736 0.016603 -0.024048 -0.239025 5C 1f+2 -0.089403 0.049311 0.048021 -0.028811 -0.054778 0.067148 5C 1f-2 -0.102051 0.263319 -0.077273 0.049655 -0.137815 0.052440 5C 1f+3 0.185726 0.216027 -0.140773 -0.021404 -0.032710 -0.012187 5C 1f-3 -0.210987 0.020858 -0.013408 0.047976 -0.036372 -0.234675 6C 1s 0.002699 0.000587 0.002800 0.001067 0.002654 -0.002406 6C 2s 0.007903 0.002475 0.011109 0.004749 0.008312 -0.007016 6C 3s 0.313569 -0.012174 -0.281894 -0.347083 -0.341944 -0.118111 6C 4s -0.843405 0.481612 1.431031 1.389079 1.612822 0.691056 6C 5s 0.675707 -0.665143 -0.160143 -0.456034 0.045303 0.445279 6C 1pz -0.026549 -0.012361 0.013419 0.013700 -0.021568 -0.039738 6C 1px -0.071102 0.011096 -0.014288 0.033229 0.037356 0.179528 6C 1py 0.087701 0.058397 0.114348 -0.053822 -0.016626 -0.113814 6C 2pz 0.556270 0.464859 0.086187 -0.396311 0.220450 0.010325 6C 2px -0.164268 0.011634 0.441319 -0.135559 0.163731 -1.012832 6C 2py -1.004965 -0.706208 -0.480746 0.648065 -0.384120 0.863340 6C 3pz 0.007034 -0.352898 -1.161911 0.131883 -0.381536 -0.277414 6C 3px 0.186690 -0.136715 -0.494803 -0.101361 -0.408545 -0.846966 6C 3py -0.191245 0.227480 1.838501 0.131434 0.796515 0.408587 6C 1dz2 0.040890 -0.004716 0.116766 0.007621 -0.002645 -0.142176 6C 1dxz -0.168213 -0.001794 0.248217 0.008334 -0.015609 -0.018661 6C 1dyz -0.033281 -0.028407 -0.022314 0.005253 0.056788 0.080618 6C 1dx2y2 0.031695 0.080998 0.052860 -0.022992 0.043700 -0.072097 6C 1dxy 0.069336 0.062480 0.098450 -0.083731 -0.024727 -0.096420 6C 2dz2 0.154370 -0.031217 -0.263661 -0.128031 -0.095693 -0.155752 6C 2dxz 1.232703 0.333004 -0.195803 -0.744183 -0.246929 -0.221771 6C 2dyz 0.123502 -0.018623 -0.251930 0.011465 -0.295220 0.139780 6C 2dx2y2 -1.009749 -0.349097 -0.312091 0.724821 -0.035835 0.886355 6C 2dxy -1.361323 -0.349336 0.392686 0.649909 0.095696 -0.017051 6C 1f0 -0.161121 -0.033686 0.144361 -0.001128 -0.057625 -0.070718 6C 1f+1 -0.052131 -0.126381 -0.322458 0.171991 0.082025 0.111401 6C 1f-1 0.084962 -0.010890 0.035624 -0.023063 -0.009487 -0.247820 6C 1f+2 0.088659 0.067744 -0.001291 -0.014504 -0.056369 0.074799 6C 1f-2 0.110010 0.132769 0.234607 -0.128646 -0.069840 0.059026 6C 1f+3 -0.182626 0.060076 0.254018 -0.009939 -0.038737 -0.012550 6C 1f-3 0.216482 0.001623 0.015445 -0.056054 0.000677 -0.245101 7C 1s -0.003063 0.003296 0.000188 0.000444 -0.002623 0.002079 7C 2s -0.009751 0.010783 0.001704 0.003199 -0.009623 0.007602 7C 3s -0.115290 -0.383019 -0.316808 -0.329318 0.212669 -0.251013 7C 4s -0.087291 1.847208 1.133981 1.067956 -1.307889 1.055266 7C 5s -0.467922 0.225306 -0.639920 0.039698 0.657676 -0.285697 7C 1pz 0.075407 -0.002506 0.052253 0.000110 0.089790 -0.039983 7C 1px 0.073981 0.011815 0.010681 0.024304 0.047466 -0.184097 7C 1py 0.061168 -0.025997 0.041519 0.048950 -0.007909 -0.056131 7C 2pz -0.998749 0.648344 -0.704803 -0.868512 -0.664740 0.322966 7C 2px 0.101866 0.079468 0.338720 0.278249 -0.137435 1.192146 7C 2py -0.474902 0.422341 -0.353545 -0.453648 -0.371334 0.459815 7C 3pz 0.405108 -1.007737 0.164238 -1.278414 1.114904 -0.959392 7C 3px -0.192630 -0.216788 -0.106025 -0.353067 -0.146788 0.492530 7C 3py 0.138444 -0.563495 0.267654 -0.766365 0.759708 -0.195791 7C 1dz2 0.004708 -0.043788 -0.040567 -0.025570 0.061526 -0.044143 7C 1dxz 0.122993 0.004039 0.047836 0.082453 0.154746 -0.079261 7C 1dyz 0.022981 -0.038216 0.057455 0.003138 0.005440 -0.014246 7C 1dx2y2 -0.070685 0.023246 -0.029470 -0.244314 0.127280 -0.061967 7C 1dxy 0.071479 -0.050649 -0.007405 0.058574 -0.043047 -0.057190 7C 2dz2 -0.370197 0.171621 -0.316670 -0.078331 -0.236305 0.495935 7C 2dxz -1.278187 0.022349 -0.938808 -1.291568 -0.224462 -0.482549 7C 2dyz -0.485997 0.290467 -0.381951 -0.391983 -0.059652 0.226614 7C 2dx2y2 0.932262 0.127272 0.863981 0.945590 0.054419 -0.029788 7C 2dxy -0.263905 0.121617 -0.134358 -0.186229 -0.237708 -0.308775 7C 1f0 0.092033 -0.003490 0.117239 0.029939 0.058368 -0.038663 7C 1f+1 0.156889 -0.076496 0.022549 0.236644 -0.216674 0.066353 7C 1f-1 0.036024 0.040398 -0.009073 0.058487 -0.104142 -0.044587 7C 1f+2 -0.152329 -0.036099 -0.197610 0.030207 -0.253959 -0.033965 7C 1f-2 -0.058912 0.058762 0.052058 -0.081108 0.143216 0.258497 7C 1f+3 -0.049310 0.080480 -0.070133 -0.148530 0.112809 -0.118076 7C 1f-3 0.132602 0.052842 0.090300 -0.010486 0.187227 -0.114853 8C 1s 0.002545 -0.003529 -0.005655 -0.002380 -0.000179 -0.005315 8C 2s 0.006396 -0.011012 -0.019453 -0.007237 -0.001413 -0.012443 8C 3s -0.081940 0.155611 0.214791 0.092528 0.210750 -0.101198 8C 4s -0.802034 -0.715359 -0.527143 0.389822 -0.889601 1.171862 8C 5s -0.281087 0.608679 1.906070 0.162010 0.721825 0.191242 8C 1pz 0.006885 -0.045302 -0.050067 0.009433 -0.004024 0.020451 8C 1px 0.139828 -0.032482 -0.169523 -0.048165 -0.034338 0.017000 8C 1py -0.050679 0.020443 -0.015571 0.066757 0.076342 0.032866 8C 2pz 0.869669 0.570272 0.678528 -0.524948 0.166993 -0.619007 8C 2px -0.435519 0.114165 0.383037 0.138865 0.351974 -0.001522 8C 2py -0.647930 -0.536399 -0.274845 0.287535 -0.518134 0.227068 8C 3pz 0.147425 0.092869 -0.159180 -0.152465 -0.060396 -0.108307 8C 3px -0.166286 -0.041933 -0.072077 0.010875 -0.009473 0.169990 8C 3py -0.111794 0.194993 0.530611 -0.017386 0.052486 0.146776 8C 1dz2 0.129414 0.019123 -0.049761 -0.044142 -0.003684 0.009172 8C 1dxz 0.157751 -0.064435 -0.344312 0.015025 0.034023 0.018141 8C 1dyz 0.088907 0.015144 0.024616 -0.084360 -0.100286 -0.045657 8C 1dx2y2 0.109358 -0.050325 -0.153018 0.038392 0.028078 0.015073 8C 1dxy 0.115637 0.011144 0.096711 -0.077674 -0.032744 -0.031058 8C 2dz2 -0.297186 -0.138417 -0.210294 0.235935 0.158047 0.193905 8C 2dxz -0.449969 -0.048200 0.299016 0.106098 -0.072272 0.188577 8C 2dyz -0.027692 0.164537 0.136462 0.066106 0.329321 0.048530 8C 2dx2y2 0.428197 0.263736 0.138793 -0.335639 -0.001055 -0.132472 8C 2dxy -0.201419 0.159281 0.306265 -0.011454 0.164398 -0.035440 8C 1f0 0.101640 -0.027415 -0.001231 0.022048 -0.019606 -0.062239 8C 1f+1 0.062366 0.011900 0.074804 -0.093042 -0.072261 -0.124674 8C 1f-1 -0.046143 0.065115 0.230937 -0.048425 -0.096399 -0.131382 8C 1f+2 -0.022564 0.034884 0.142008 0.022562 -0.023111 -0.038679 8C 1f-2 -0.010154 -0.008914 -0.056269 -0.028682 -0.090656 0.039695 8C 1f+3 0.076596 0.041502 -0.012521 -0.027208 0.019639 -0.124186 8C 1f-3 -0.056621 -0.088096 -0.105875 0.059195 -0.019117 -0.073241 9C 1s -0.001780 0.000058 -0.001741 -0.003914 0.004688 0.004156 9C 2s -0.003415 -0.001322 -0.005243 -0.012230 0.015862 0.008866 9C 3s -0.026767 0.259700 0.109951 0.028362 -0.237863 0.213354 9C 4s 1.058585 -1.227267 0.327993 0.861376 0.819500 -1.313001 9C 5s -0.388376 0.802096 -0.021902 1.132675 -1.380177 1.092995 9C 1pz -0.005939 -0.082242 -0.054116 0.037272 -0.004557 -0.013749 9C 1px -0.086676 -0.045366 -0.059350 -0.122647 0.042536 -0.049616 9C 1py -0.045134 -0.024061 -0.034558 -0.083099 0.130385 -0.034463 9C 2pz -0.925903 0.734808 -0.515869 -0.757150 -0.519166 0.374819 9C 2px 0.582246 0.183579 0.423366 0.411227 0.150833 0.082687 9C 2py -0.469250 0.454394 -0.243727 -0.092321 -0.731187 0.390259 9C 3pz -0.035063 -0.019235 0.037641 -0.390681 0.342603 -0.063156 9C 3px 0.200041 -0.042514 0.136098 0.120314 0.208832 -0.211126 9C 3py 0.070217 -0.117073 -0.071259 -0.185395 0.032150 -0.184341 9C 1dz2 0.038498 -0.015499 0.032484 0.137674 -0.191123 0.035667 9C 1dxz 0.066161 -0.053949 0.023429 -0.013548 -0.016811 -0.002966 9C 1dyz 0.118748 0.089732 0.108112 0.016693 0.055430 0.004506 9C 1dx2y2 0.127647 -0.036806 0.029261 0.264306 -0.200883 0.033747 9C 1dxy 0.036649 0.047823 0.075911 -0.067179 0.174940 0.016494 9C 2dz2 0.312527 -0.191645 0.177445 0.293343 0.151796 -0.043734 9C 2dxz 0.010513 0.035597 0.124195 -0.018742 0.150829 -0.089989 9C 2dyz -0.000004 -0.371072 -0.061190 -0.043554 0.331632 -0.126342 9C 2dx2y2 -0.525517 0.080893 -0.320425 -0.576058 0.060846 0.063040 9C 2dxy -0.184502 -0.200452 -0.229224 0.022374 -0.386323 -0.063762 9C 1f0 -0.020154 -0.058540 -0.046675 0.064693 -0.192292 -0.043360 9C 1f+1 -0.054935 0.066703 -0.031678 0.005806 -0.066180 0.087538 9C 1f-1 -0.007122 0.048377 0.018734 -0.131640 0.065043 -0.025423 9C 1f+2 0.049841 -0.116373 0.010799 0.049899 -0.066860 0.026814 9C 1f-2 0.018757 -0.026707 -0.032649 0.070145 -0.083828 0.171071 9C 1f+3 0.043163 0.042523 -0.013978 0.052480 -0.063526 -0.010313 9C 1f-3 -0.086871 -0.032809 -0.074813 -0.050976 -0.065856 0.043003 10H 1s 0.031401 -0.052161 0.022747 0.186272 -0.025164 -0.032611 10H 2s 0.440705 -0.344153 0.263485 -0.070678 -0.378645 0.008527 10H 3s 0.055087 0.088029 0.059566 0.030096 -0.102512 0.126608 10H 1pz 0.132693 -0.043018 0.106417 -0.002719 -0.086993 0.017986 10H 1px -0.069791 0.088142 -0.047170 0.149784 0.050270 0.034565 10H 1py 0.066672 -0.135109 0.028516 -0.140252 -0.134182 0.042746 11H 1s -0.018778 0.137673 0.028202 0.087293 0.062374 0.002635 11H 2s -0.117927 0.021987 -0.110223 0.116025 0.156329 -0.228997 11H 3s 0.053207 0.102376 0.044164 0.003868 0.043059 0.113433 11H 1pz -0.035633 -0.038137 -0.036865 0.186081 0.058639 -0.110812 11H 1px -0.049024 -0.003592 -0.016247 -0.164778 0.011378 -0.087800 11H 1py -0.056063 0.081242 0.006031 0.067656 0.083877 -0.015605 12H 1s -0.039151 -0.037007 -0.007746 -0.290699 -0.073003 -0.006557 12H 2s -0.078887 -0.029014 -0.088272 -0.166999 0.042624 -0.181258 12H 3s 0.027210 -0.029169 0.039664 -0.209908 -0.091292 0.074701 12H 1pz -0.069484 0.011329 -0.056669 -0.080639 0.005136 -0.014922 12H 1px -0.015093 0.024308 -0.025532 -0.038943 0.027125 0.004079 12H 1py 0.019945 -0.034391 -0.006235 0.099534 0.015004 -0.117134 13H 1s -0.112083 -0.134433 0.131325 0.014225 -0.036202 0.016072 13H 2s -0.555786 0.446318 -0.071070 0.137295 -0.331025 -0.211524 13H 3s -0.073888 -0.004323 0.076148 0.044453 0.093635 -0.026975 13H 1pz -0.114701 0.277083 -0.110341 0.045460 -0.173592 -0.093372 13H 1px 0.033655 -0.088186 0.055091 -0.006931 -0.019303 -0.053477 13H 1py 0.156078 -0.080961 0.001453 -0.025189 0.019801 0.062771 14H 1s 0.124040 0.246531 -0.130943 0.016317 -0.058118 0.016431 14H 2s 0.008167 0.149453 -0.041033 0.035422 -0.045436 0.162588 14H 3s 0.070890 0.245936 -0.097550 0.053263 0.002343 -0.018317 14H 1pz -0.088766 -0.049631 0.078137 0.029691 -0.024534 0.083461 14H 1px -0.061991 -0.009293 0.013436 0.003216 -0.010705 0.049180 14H 1py -0.105732 -0.060209 0.037219 0.002126 -0.002277 -0.006926 15H 1s 0.033647 -0.068801 0.021915 -0.018052 0.140075 0.042760 15H 2s 0.226045 -0.204763 0.093619 -0.122644 0.119651 0.394485 15H 3s -0.045189 -0.019164 -0.053889 0.011685 0.075861 -0.068177 15H 1pz 0.009581 -0.189918 0.076054 0.010133 0.058752 0.008414 15H 1px 0.141808 0.073463 -0.066257 -0.015093 0.063487 0.118593 15H 1py -0.055749 0.188308 -0.102147 0.034534 -0.003841 -0.174033 16H 1s 0.035717 0.002773 0.021403 -0.026172 -0.049784 0.012817 16H 2s -0.160622 -0.011384 -0.151349 0.113939 0.377955 -0.057183 16H 3s 0.006116 0.063895 0.035680 -0.048066 -0.119014 0.001572 16H 1pz -0.048316 -0.002751 -0.048470 0.030647 0.093789 -0.005131 16H 1px 0.010417 -0.013743 0.010174 -0.006083 0.006242 0.015176 16H 1py -0.011115 0.005017 -0.011464 0.011022 0.004731 -0.005050 17H 1s -0.025386 -0.027091 -0.018532 -0.006819 -0.031082 0.018677 17H 2s 0.034451 0.022686 0.018334 0.035057 0.353429 0.028335 17H 3s -0.014261 -0.082734 -0.021727 -0.017231 -0.088964 0.008392 17H 1pz 0.001816 0.004245 0.008145 -0.003415 -0.073890 -0.014357 17H 1px -0.006294 0.018710 -0.005597 0.005810 -0.061113 -0.012131 17H 1py 0.007664 -0.015666 0.011021 -0.002262 0.024542 0.011269 18H 1s -0.025554 0.031044 0.004174 0.013098 0.028187 -0.017890 18H 2s -0.013320 -0.019330 -0.005431 -0.207379 -0.295984 -0.025738 18H 3s -0.012143 0.076353 0.044302 0.040352 0.079323 -0.007498 18H 1pz -0.014521 0.010267 -0.004630 -0.047872 -0.060805 -0.014020 18H 1px -0.004254 0.011826 0.016664 -0.046565 -0.044555 -0.010935 18H 1py -0.003375 -0.003888 -0.017972 0.017714 0.016226 0.010259 19H 1s 0.039280 -0.019533 0.012356 0.013940 0.053561 -0.013160 19H 2s -0.229311 0.129122 -0.100728 -0.174892 -0.358987 0.062172 19H 3s 0.021728 -0.070415 -0.017194 0.046175 0.120212 0.000094 19H 1pz 0.072331 -0.040347 0.033650 0.042600 0.090141 -0.007168 19H 1px -0.010702 -0.001319 -0.015848 0.007683 0.000994 0.016809 19H 1py 0.017848 -0.006344 0.011930 -0.002435 0.013352 -0.006106 20H 1s 0.041434 0.032244 0.064098 -0.101741 -0.094663 -0.046060 20H 2s 0.235684 0.073514 0.194760 -0.163419 -0.013897 -0.413423 20H 3s -0.039532 0.051413 -0.021476 -0.036652 -0.063340 0.074354 20H 1pz -0.012860 -0.083023 -0.184363 0.032917 0.050520 0.008164 20H 1px -0.133871 0.009032 0.104328 0.051421 0.038899 0.120930 20H 1py 0.057840 0.061905 0.198002 -0.027490 0.018739 -0.182121 21H 1s 0.116645 -0.086560 -0.268349 0.052662 0.032820 -0.012807 21H 2s 0.005899 -0.076543 -0.134600 0.051991 0.006263 -0.177317 21H 3s 0.071051 -0.106856 -0.241710 0.049206 -0.034558 0.028177 21H 1pz 0.093232 0.015867 -0.091005 -0.035022 0.002937 0.090634 21H 1px 0.053733 0.001497 -0.017799 -0.008649 -0.004173 0.056219 21H 1py 0.103227 -0.018493 -0.070005 -0.003351 0.000021 -0.006219 22H 1s -0.109267 0.006861 0.188043 0.033069 0.017062 -0.019847 22H 2s -0.567250 -0.258343 -0.337350 0.318418 0.158596 0.217239 22H 3s -0.058004 -0.049435 0.055058 -0.018808 -0.101812 0.030673 22H 1pz 0.120642 0.118040 0.264680 -0.147810 -0.101544 -0.098615 22H 1px -0.039864 -0.024489 -0.099700 -0.006095 -0.019445 -0.055284 22H 1py -0.156852 -0.054643 -0.051018 0.031963 -0.002616 0.063490 23H 1s -0.061994 0.026861 0.016705 -0.178560 0.247157 0.002369 23H 2s -0.120410 0.076943 -0.056143 -0.171778 0.084482 0.199911 23H 3s 0.020232 -0.006207 0.049164 -0.099786 0.202774 -0.091155 23H 1pz 0.085544 -0.032486 0.049675 0.067881 -0.052081 -0.011540 23H 1px 0.027217 0.001499 0.039083 0.050635 -0.003845 0.002888 23H 1py -0.020746 -0.028707 -0.016056 -0.059968 0.073165 -0.132373 24H 1s -0.024934 -0.119118 -0.078294 0.028741 -0.110257 -0.000167 24H 2s -0.170159 0.059095 -0.107091 -0.037485 -0.182827 0.253769 24H 3s 0.066028 -0.105213 -0.039650 -0.014380 -0.041110 -0.125670 24H 1pz 0.038056 -0.055743 -0.000586 -0.093603 0.157784 -0.123490 24H 1px 0.076997 -0.010330 0.014786 0.139174 -0.101828 -0.093214 24H 1py 0.069164 0.062412 0.055891 0.007644 0.106269 -0.012777 25H 1s 0.052530 0.025514 0.057940 0.157328 -0.098651 0.041495 25H 2s 0.537252 0.054618 0.442520 0.222932 0.311444 0.005791 25H 3s 0.068413 -0.101482 -0.018112 0.091794 0.059642 -0.133192 25H 1pz -0.159676 0.046988 -0.108906 -0.066268 -0.057584 0.013385 25H 1px 0.069621 0.026102 0.093913 -0.079771 0.132112 0.037410 25H 1py -0.080926 -0.075054 -0.117855 0.016085 -0.190375 0.045164 26O 1s -0.009481 -0.016081 -0.005274 0.009026 0.017046 0.025176 26O 2s -0.037162 -0.053302 -0.020608 0.033792 0.061425 0.083451 26O 3s 0.383616 0.351009 0.201279 -0.279510 -0.525197 -0.545327 26O 4s -1.211568 -0.386627 -0.629047 0.582461 1.242337 0.567887 26O 5s 1.370525 0.987277 0.970661 -1.379712 -1.137224 -1.291929 26O 1pz -0.114673 0.234113 -0.073715 -0.316712 0.006115 0.112387 26O 1px 0.197464 -0.079263 0.104223 -0.029955 -0.149182 0.075596 26O 1py -0.010060 0.151388 -0.001298 -0.120452 -0.051219 0.040679 26O 2pz 0.325509 -0.552069 0.185995 0.777890 -0.073013 -0.252521 26O 2px -0.166373 -0.003131 -0.135381 0.077202 0.222683 0.162021 26O 2py 0.172843 -0.429777 0.040632 0.274148 0.020624 0.055132 26O 3pz 0.457908 0.282885 0.255282 -0.564020 -0.622630 0.109653 26O 3px -0.119768 -0.098423 -0.040836 0.174704 -0.382873 0.403350 26O 3py 0.234949 0.193059 0.214548 -0.221609 -0.541207 0.125285 26O 1dz2 -0.004114 0.004363 -0.001354 -0.005516 -0.001700 -0.005556 26O 1dxz -0.006323 0.008253 -0.006285 -0.002303 0.000069 -0.000208 26O 1dyz 0.003970 0.001769 0.003164 -0.006468 -0.004882 -0.001406 26O 1dx2y2 0.016009 -0.007186 0.005557 0.007574 -0.004525 0.004915 26O 1dxy 0.009297 -0.000198 -0.001877 -0.017039 -0.005797 0.009981 26O 2dz2 0.010122 0.025248 0.010071 -0.049639 0.006768 0.073041 26O 2dxz -0.120342 0.121273 -0.071555 -0.229005 0.027650 0.152592 26O 2dyz -0.001235 0.041721 0.018006 -0.180974 -0.017357 0.044622 26O 2dx2y2 0.096833 -0.113616 0.026971 -0.007663 -0.071705 -0.072929 26O 2dxy -0.021260 0.110326 -0.002972 0.080142 0.038007 -0.056428 26O 1f0 -0.006088 -0.000628 -0.002761 0.019640 0.018913 -0.019718 26O 1f+1 -0.010381 0.016695 0.002246 0.019178 0.016357 -0.008158 26O 1f-1 -0.000356 -0.004216 0.002752 -0.003678 0.001648 -0.020491 26O 1f+2 0.004402 0.017962 0.000016 0.005302 -0.007428 0.029189 26O 1f-2 0.005308 -0.007828 0.006832 -0.034612 -0.018453 0.012560 26O 1f+3 -0.000797 0.016802 0.003711 0.031925 -0.001287 -0.003160 26O 1f-3 -0.019536 0.004077 -0.012249 -0.044714 0.002681 -0.012340 27O 1s 0.002198 -0.026344 -0.002454 -0.014653 -0.020784 -0.034524 27O 2s 0.012305 -0.096116 -0.005264 -0.053272 -0.068762 -0.114672 27O 3s -0.216383 0.822394 -0.009771 0.469482 0.452437 0.740671 27O 4s 1.004424 -1.995112 0.222308 -1.208697 -0.558816 -0.743800 27O 5s -0.776238 2.281140 -0.538950 0.917198 1.562599 2.420320 27O 1pz 0.188420 0.070812 -0.019816 -0.053935 0.173346 0.085752 27O 1px -0.211420 0.159773 -0.037314 0.089689 -0.042619 -0.057717 27O 1py -0.257010 -0.247607 0.158501 0.014695 -0.204314 0.025320 27O 2pz -0.425274 -0.155543 0.046770 0.123563 -0.415202 -0.197683 27O 2px 0.080469 -0.111315 -0.052706 0.020079 -0.157397 -0.427340 27O 2py 0.725837 0.515560 -0.373042 -0.112009 0.544552 0.052605 27O 3pz -0.217948 0.568760 -0.099759 0.194961 0.303558 0.210859 27O 3px -0.058551 0.124490 0.180354 0.159791 -0.368414 -0.635148 27O 3py 0.228494 -0.891329 0.173952 -0.295869 -0.253698 -0.037373 27O 1dz2 0.008678 -0.012237 0.009635 -0.004784 0.007183 0.010832 27O 1dxz 0.016502 0.008397 -0.008459 -0.001307 0.005114 -0.001776 27O 1dyz 0.003883 -0.013763 0.005817 -0.004854 -0.000385 -0.001152 27O 1dx2y2 -0.016434 0.001726 -0.005642 0.003074 -0.009419 -0.015377 27O 1dxy -0.003052 -0.001187 0.001871 0.002707 0.000700 -0.003043 27O 2dz2 0.033489 0.017733 -0.025861 0.009778 -0.045010 -0.058068 27O 2dxz 0.113863 -0.090580 0.064858 -0.072820 0.177075 0.052548 27O 2dyz 0.035229 -0.098353 0.029075 -0.028833 -0.035270 -0.047271 27O 2dx2y2 -0.089584 -0.098305 0.099274 0.002663 -0.021389 0.166621 27O 2dxy -0.232278 -0.166341 0.137854 0.082561 -0.116161 0.079931 27O 1f0 0.012989 0.014506 -0.019171 -0.000068 -0.008541 -0.013260 27O 1f+1 0.031115 0.027487 -0.018291 -0.005435 -0.001438 0.015123 27O 1f-1 -0.004952 0.002751 -0.002339 0.002652 0.003002 -0.021163 27O 1f+2 -0.005301 -0.035109 0.025782 -0.006691 0.018344 -0.001351 27O 1f-2 -0.000094 -0.017711 0.003666 -0.001848 0.010104 -0.014937 27O 1f+3 0.018755 0.000507 -0.000706 -0.006326 0.022328 0.011612 27O 1f-3 -0.007656 0.044394 -0.016316 0.008613 -0.011613 -0.042916 28O 1s -0.013363 -0.013261 -0.022046 0.011586 0.026448 -0.033213 28O 2s -0.051051 -0.041893 -0.081020 0.039058 0.094810 -0.113298 28O 3s 0.532158 0.207504 0.740557 -0.247175 -0.843785 0.804465 28O 4s -1.894254 0.203786 -2.053860 0.068667 2.353837 -1.223892 28O 5s 1.049589 1.098257 1.577831 -2.043465 -1.175330 2.474808 28O 1pz -0.032721 0.172491 0.088428 -0.122005 -0.077209 0.041341 28O 1px -0.073190 0.119744 -0.112323 0.072998 0.034436 0.000443 28O 1py -0.041738 0.091632 0.015481 -0.129679 -0.081500 -0.010423 28O 2pz 0.429319 -0.702266 0.112892 0.421453 -0.184646 -0.271359 28O 2px -0.262051 0.061415 -0.086404 -0.404167 0.307785 0.245301 28O 2py 0.146707 -0.232061 0.017879 0.413273 0.158744 0.017900 28O 3pz 0.079880 0.170010 0.455667 -0.084834 -0.441615 0.079866 28O 3px 0.277119 0.275357 0.120437 -0.536242 -0.104435 0.544433 28O 3py 0.146964 0.235200 0.367525 -0.166321 -0.258244 0.168347 28O 1dz2 -0.001486 -0.002164 0.000794 -0.008309 -0.003349 0.001146 28O 1dxz -0.002838 0.008006 -0.005618 0.007714 -0.003090 0.008839 28O 1dyz 0.007646 0.003457 0.007532 0.009107 -0.001723 0.006135 28O 1dx2y2 0.005566 -0.003534 0.007177 0.001751 0.002129 -0.004588 28O 1dxy 0.005052 -0.008387 0.000742 -0.005497 -0.008472 0.000227 28O 2dz2 -0.041758 0.172553 -0.079361 0.110761 0.049051 -0.023685 28O 2dxz 0.053498 -0.094082 0.063159 -0.003374 -0.067727 -0.054214 28O 2dyz 0.051129 0.020612 0.019028 -0.099242 -0.078120 -0.012261 28O 2dx2y2 0.052280 -0.072971 0.045628 -0.054818 -0.018277 0.107284 28O 2dxy 0.102494 -0.032196 0.064567 0.201146 0.009768 0.084027 28O 1f0 -0.006005 0.020370 -0.008321 0.008605 0.009529 0.006871 28O 1f+1 -0.004349 -0.015017 -0.006545 -0.018351 0.010190 0.015257 28O 1f-1 0.013401 -0.014453 0.001648 0.008424 -0.014014 0.014292 28O 1f+2 0.018683 -0.019753 0.017034 -0.004191 -0.019032 -0.013413 28O 1f-2 -0.001315 0.009927 -0.004098 0.007251 0.014927 0.021593 28O 1f+3 0.017926 -0.020257 0.011339 0.021989 -0.007631 0.002332 28O 1f-3 0.010579 -0.003185 -0.001140 0.020475 0.001997 0.008599 29O 1s -0.000060 0.001068 -0.003164 0.002418 0.016202 -0.001048 29O 2s 0.000132 0.004081 -0.010715 0.008271 0.055674 -0.003979 29O 3s -0.010409 -0.037560 0.073860 -0.055890 -0.396687 0.035232 29O 4s 0.034661 0.081661 -0.138645 0.076427 0.736379 -0.071316 29O 5s 0.046396 -0.067941 0.282822 -0.103213 -1.342193 0.069408 29O 1pz -0.016716 0.014776 0.005544 -0.013896 -0.035023 -0.001170 29O 1px -0.005500 0.002572 -0.009409 0.026175 0.080934 0.010356 29O 1py 0.001117 -0.004318 0.008417 0.003466 -0.029159 0.000764 29O 2pz -0.012739 -0.012961 -0.053909 0.058902 0.097711 -0.015101 29O 2px 0.010721 0.006046 0.020924 -0.056993 -0.238495 -0.028526 29O 2py -0.013647 -0.004126 -0.032750 0.000847 0.122577 0.005965 29O 3pz -0.090933 -0.047340 -0.024145 -0.014627 -0.070948 -0.031989 29O 3px -0.011518 0.004503 -0.079249 0.045831 0.372444 -0.021174 29O 3py -0.049031 0.034192 -0.015773 0.077779 0.277479 -0.015639 29O 1dz2 -0.001821 -0.002884 -0.002290 0.001235 0.000562 0.000317 29O 1dxz 0.000841 0.003242 0.002319 0.000449 -0.001209 0.000260 29O 1dyz -0.001111 0.002337 -0.001024 0.003376 0.001644 -0.000111 29O 1dx2y2 0.000343 0.001822 0.000434 -0.001374 -0.002741 0.000725 29O 1dxy 0.001984 -0.000799 -0.001695 -0.001574 -0.005340 0.000596 29O 2dz2 0.006412 -0.012776 0.004858 -0.005055 -0.011640 0.003497 29O 2dxz 0.007218 0.029627 0.007930 -0.001738 -0.024887 -0.006705 29O 2dyz 0.015546 -0.000391 0.020456 -0.002599 -0.000127 0.010609 29O 2dx2y2 -0.003798 0.007766 -0.000365 0.001541 0.000541 0.001405 29O 2dxy 0.004622 -0.020583 -0.010040 -0.008660 0.017108 0.018792 29O 1f0 -0.001538 0.000537 -0.001634 0.001792 0.010300 -0.001117 29O 1f+1 0.000945 -0.005491 0.000043 -0.000145 -0.004103 0.001271 29O 1f-1 -0.005773 0.001439 -0.002311 0.005454 0.008195 -0.002098 29O 1f+2 0.000738 0.003227 0.004397 0.000577 -0.004233 0.000177 29O 1f-2 0.004175 0.001052 0.003284 0.001578 0.006046 -0.002186 29O 1f+3 -0.002506 -0.002921 -0.000927 0.001865 0.001703 0.000414 29O 1f-3 -0.004002 0.000948 -0.000737 0.000318 -0.000165 0.001515 30O 1s 0.020558 -0.021039 -0.003560 -0.001449 -0.015164 0.025299 30O 2s 0.078795 -0.075754 -0.012849 -0.007452 -0.049777 0.087950 30O 3s -0.824867 0.650561 0.133047 0.121901 0.289650 -0.685772 30O 4s 2.903996 -1.547721 -0.514238 -0.613496 -0.004923 1.374278 30O 5s -0.945131 2.068080 -0.860896 0.176768 1.514755 -1.009584 30O 1pz 0.031113 0.205844 -0.033601 0.004376 0.070638 0.062401 30O 1px 0.131556 -0.079774 0.056176 -0.080228 0.091729 0.030852 30O 1py -0.034413 -0.088857 -0.024314 0.032149 -0.207244 -0.014786 30O 2pz -0.541716 -0.430022 0.217477 0.096120 -0.339332 -0.201867 30O 2px 0.328113 0.017911 -0.253627 0.017197 0.098033 -0.070745 30O 2py 0.550279 0.021694 -0.035256 -0.208756 0.725430 0.101657 30O 3pz -0.170149 0.260127 0.217795 0.264417 0.273784 -0.008668 30O 3px -0.170771 0.379773 -0.322128 -0.126999 0.295925 -0.135876 30O 3py 0.331041 -0.512390 -0.170156 -0.200481 -0.351586 0.148849 30O 1dz2 0.006067 -0.011083 0.004082 -0.000475 0.008528 -0.002076 30O 1dxz 0.007533 0.004728 0.001785 0.001070 -0.003798 0.000711 30O 1dyz 0.012148 -0.003639 -0.002413 -0.001185 -0.005199 0.002255 30O 1dx2y2 -0.005890 -0.002537 -0.001606 0.003787 -0.008292 0.001038 30O 1dxy 0.007266 0.012059 -0.007026 -0.000300 -0.002912 0.009107 30O 2dz2 0.175810 0.153687 -0.072290 0.001543 -0.022142 0.137278 30O 2dxz -0.091105 -0.138609 0.094998 0.008966 0.022887 -0.005593 30O 2dyz -0.009777 -0.017250 -0.001824 0.014538 -0.076103 -0.057057 30O 2dx2y2 -0.112102 0.085299 -0.053512 0.050036 -0.143929 -0.127866 30O 2dxy 0.106758 -0.139249 0.047338 -0.052928 0.130912 0.016296 30O 1f0 0.037812 0.007836 -0.010383 -0.007814 0.019231 0.020388 30O 1f+1 -0.027410 -0.024652 0.012219 -0.002602 -0.001325 -0.017985 30O 1f-1 0.002453 -0.009434 -0.005211 -0.001928 0.010695 -0.014411 30O 1f+2 -0.003085 0.006618 -0.004827 -0.000486 -0.007460 0.010538 30O 1f-2 -0.023344 0.023869 0.004467 0.012834 -0.014614 0.009949 30O 1f+3 -0.013102 0.004398 -0.012289 0.000817 -0.030810 -0.024542 30O 1f-3 -0.019739 0.009790 0.002122 0.002158 -0.006476 -0.003463 31O 1s 0.017127 0.017412 0.011508 0.007396 0.012802 -0.025797 31O 2s 0.067014 0.062586 0.041300 0.021957 0.043872 -0.089586 31O 3s -0.737392 -0.549568 -0.334902 -0.059709 -0.309975 0.695535 31O 4s 2.742042 1.422973 0.633958 -0.531165 0.430516 -1.380018 31O 5s -0.774248 -0.879389 -2.046521 -0.709102 -1.269648 1.033967 31O 1pz -0.043201 0.125001 0.167492 0.032750 0.060192 0.066316 31O 1px -0.148490 -0.012446 -0.090716 0.117258 0.016787 0.033180 31O 1py 0.056364 -0.085695 -0.047198 -0.147669 -0.139235 -0.020862 31O 2pz 0.566631 -0.166954 -0.467697 -0.267441 -0.200568 -0.205051 31O 2px -0.288000 -0.164766 0.198640 0.056752 0.082354 -0.085204 31O 2py -0.601976 0.012176 0.060872 0.600225 0.417192 0.110122 31O 3pz 0.183156 0.330407 0.021193 -0.026621 0.390367 -0.002848 31O 3px 0.117145 0.052280 0.498267 0.251882 0.137193 -0.140723 31O 3py -0.327950 -0.479017 -0.227187 -0.055302 -0.412351 0.147224 31O 1dz2 0.006130 0.004901 0.010529 -0.006083 -0.006094 0.001970 31O 1dxz 0.008221 -0.004606 -0.002095 0.003658 0.002100 -0.000324 31O 1dyz 0.012385 0.004126 0.000628 0.002281 0.004723 -0.001981 31O 1dx2y2 -0.005846 0.003199 0.000810 0.008054 0.003868 -0.001090 31O 1dxy 0.006306 -0.003879 -0.013632 0.001733 0.002384 -0.009648 31O 2dz2 0.170569 -0.061548 -0.162303 0.018874 0.014181 -0.140574 31O 2dxz -0.085903 0.033463 0.165052 -0.010568 -0.022915 0.003606 31O 2dyz -0.016840 0.014569 0.013670 0.055022 0.048400 0.059033 31O 2dx2y2 -0.122150 -0.018742 -0.091345 0.127370 0.076669 0.134000 31O 2dxy 0.112442 0.062703 0.126059 -0.124843 -0.064209 -0.019040 31O 1f0 -0.037641 -0.000854 0.014160 0.017755 0.009541 0.020754 31O 1f+1 0.026260 -0.009347 -0.026585 0.001981 -0.002767 -0.018101 31O 1f-1 -0.002026 -0.010166 -0.002866 0.008908 0.006530 -0.014802 31O 1f+2 0.004101 0.001267 0.008052 -0.004538 -0.005897 0.011118 31O 1f-2 0.024109 0.019590 0.012668 -0.019471 -0.002265 0.010425 31O 1f+3 0.013336 -0.005868 0.011191 -0.019936 -0.023156 -0.025627 31O 1f-3 0.020142 0.008211 0.004821 -0.005452 -0.003174 -0.002739 32O 1s -0.002580 0.001808 -0.003074 -0.009045 -0.013775 0.001112 32O 2s -0.008325 0.005767 -0.010711 -0.031053 -0.047269 0.004165 32O 3s 0.045520 -0.032150 0.079991 0.222280 0.333936 -0.035755 32O 4s -0.060093 0.047782 -0.158627 -0.431312 -0.600467 0.071056 32O 5s 0.239899 -0.169422 0.261445 0.823726 1.078065 -0.076236 32O 1pz 0.009007 0.014433 0.005730 -0.013400 -0.035112 -0.000748 32O 1px 0.019694 -0.006099 0.010221 0.034264 0.079205 0.010596 32O 1py -0.006257 0.002189 -0.010098 -0.022629 -0.019777 0.002109 32O 2pz 0.038661 -0.049004 0.030263 0.022311 0.107868 -0.017535 32O 2px -0.051644 0.023854 -0.015579 -0.117571 -0.221631 -0.027986 32O 2py 0.040536 -0.028089 0.024674 0.084084 0.094896 0.001357 32O 3pz 0.081848 -0.052744 -0.018268 -0.033321 -0.065774 -0.031439 32O 3px 0.061531 -0.052681 0.065352 0.215008 0.308620 -0.020976 32O 3py 0.080918 0.004871 0.035944 0.124471 0.262502 -0.016865 32O 1dz2 -0.002369 0.003697 0.000226 0.000311 -0.001193 -0.000209 32O 1dxz 0.000959 -0.003959 -0.000672 0.001310 0.000533 -0.000182 32O 1dyz -0.001484 -0.000822 -0.002326 0.001560 -0.003278 0.000241 32O 1dx2y2 0.000810 -0.001684 -0.001009 0.000979 0.002942 -0.000764 32O 1dxy 0.001871 0.001686 -0.000646 0.002192 0.005227 -0.000573 32O 2dz2 0.011966 0.004410 0.010899 0.005094 0.012176 -0.003750 32O 2dxz 0.011926 -0.028027 -0.015057 0.018068 0.020869 0.006237 32O 2dyz 0.020599 -0.014971 0.015149 -0.000659 0.001548 -0.010699 32O 2dx2y2 -0.005176 -0.004517 -0.006150 0.001805 -0.001622 -0.000694 32O 2dxy -0.004600 0.022442 0.005309 -0.019472 -0.008004 -0.018193 32O 1f0 0.002185 -0.001115 0.001209 0.005334 0.008340 -0.000962 32O 1f+1 -0.001280 -0.003735 -0.003742 -0.002581 -0.003427 0.001352 32O 1f-1 0.006471 -0.000997 0.002494 0.001485 0.010020 -0.002192 32O 1f+2 -0.001563 0.005462 -0.000870 -0.003609 -0.003213 0.000319 32O 1f-2 -0.004100 0.002988 -0.001863 0.002411 0.005415 -0.001982 32O 1f+3 0.002727 -0.002760 -0.001515 0.000033 0.002642 0.000351 32O 1f-3 0.003453 0.000230 0.001285 -0.000446 0.000264 0.001493 33O 1s -0.015889 0.024782 -0.006637 -0.009819 -0.026925 0.034490 33O 2s -0.060630 0.086280 -0.029264 -0.037030 -0.094844 0.117282 33O 3s 0.634633 -0.665733 0.394019 0.403894 0.777957 -0.820662 33O 4s -2.284341 1.297246 -1.661008 -1.590534 -1.767499 1.179413 33O 5s 1.015884 -1.914293 0.307047 -0.732059 2.175198 -2.588611 33O 1pz 0.044751 0.187689 0.059565 0.042115 -0.137786 0.034400 33O 1px 0.076291 0.004195 0.162117 -0.032203 0.066348 0.003521 33O 1py 0.057366 0.079231 0.056421 0.049712 -0.147604 -0.014871 33O 2pz -0.541722 -0.424027 -0.591994 -0.452521 0.144300 -0.294762 33O 2px 0.358936 -0.015455 0.127243 0.519354 -0.022977 0.287299 33O 2py -0.202070 -0.160566 -0.187674 -0.225106 0.394981 0.021745 33O 3pz -0.131371 0.435670 -0.218914 -0.246921 -0.370530 0.064388 33O 3px -0.249067 0.292560 0.122759 0.334957 -0.429987 0.578326 33O 3py -0.164948 0.428526 -0.097348 -0.053554 -0.290931 0.171266 33O 1dz2 -0.002219 0.001012 0.001991 -0.004257 0.008103 -0.001122 33O 1dxz -0.001237 -0.001284 -0.009288 0.008472 -0.002628 -0.010078 33O 1dyz 0.009059 -0.007480 0.003223 0.008625 -0.004851 -0.006258 33O 1dx2y2 0.006293 -0.002746 0.007658 -0.000040 -0.002995 0.005357 33O 1dxy 0.005612 0.005485 0.006457 0.001209 0.010118 -0.000583 33O 2dz2 -0.044281 -0.065446 -0.176900 0.051171 -0.103675 0.025961 33O 2dxz 0.071810 0.022807 0.115281 0.044481 0.050384 0.058706 33O 2dyz 0.050746 -0.029460 -0.002114 -0.025446 0.124867 0.011830 33O 2dx2y2 0.056071 0.020211 0.083295 -0.025959 0.045337 -0.115114 33O 2dxy 0.135214 -0.018774 0.074543 0.155308 -0.142127 -0.087329 33O 1f0 0.006598 0.008314 0.020131 -0.000678 0.012644 0.008216 33O 1f+1 0.006755 -0.015385 -0.005488 0.021118 -0.004578 0.017091 33O 1f-1 -0.018518 -0.009600 -0.012265 -0.016738 -0.004865 0.015325 33O 1f+2 -0.022347 -0.001625 -0.026682 -0.009908 -0.016467 -0.016139 33O 1f-2 0.001578 0.003911 0.010049 0.003562 0.016173 0.022615 33O 1f+3 -0.022663 -0.006656 -0.023041 -0.022528 0.009347 0.001399 33O 1f-3 -0.014844 -0.003517 -0.002038 -0.015419 0.015125 0.008993 34O 1s 0.003211 0.020312 0.016881 0.000665 0.025597 0.035015 34O 2s 0.016016 0.071427 0.063928 -0.001674 0.087778 0.116007 34O 3s -0.251658 -0.569459 -0.579255 0.104752 -0.654541 -0.741055 34O 4s 1.114781 1.226163 1.517440 -0.620731 1.216171 0.697434 34O 5s -0.751383 -1.241458 -1.994128 -0.134343 -1.793402 -2.460861 34O 1pz -0.192241 0.042035 0.069890 0.148455 0.097672 0.087040 34O 1px 0.208433 0.082991 0.131377 -0.102685 0.024756 -0.064969 34O 1py 0.258141 -0.072101 -0.289605 -0.134476 -0.143645 0.032457 34O 2pz 0.432677 -0.090480 -0.156856 -0.351959 -0.237613 -0.200940 34O 2px -0.035202 -0.121222 -0.047673 -0.083452 -0.109281 -0.450060 34O 2py -0.734344 0.126485 0.641195 0.412138 0.336414 0.045167 34O 3pz 0.207022 0.332078 0.466100 0.021299 0.361329 0.207956 34O 3px 0.029909 0.204119 -0.063128 -0.347173 -0.173540 -0.657825 34O 3py -0.190147 -0.509714 -0.735816 0.103317 -0.387812 -0.027475 34O 1dz2 0.008899 0.001763 0.014915 -0.008281 -0.002564 -0.011497 34O 1dxz 0.016442 -0.000431 -0.012125 -0.004157 -0.002920 0.001914 34O 1dyz 0.004096 0.005682 0.013558 -0.003832 0.003498 0.001002 34O 1dx2y2 -0.016376 0.002996 -0.004695 0.008182 0.005425 0.016470 34O 1dxy -0.004328 -0.000309 0.002187 0.001205 -0.002244 0.003044 34O 2dz2 0.030163 0.005708 -0.030501 0.033530 0.028451 0.061737 34O 2dxz 0.123190 0.015333 0.103183 -0.169124 -0.088699 -0.057495 34O 2dyz 0.036607 0.049177 0.089095 -0.002122 0.046889 0.048757 34O 2dx2y2 -0.088897 0.002308 0.137594 0.018137 0.012628 -0.173972 34O 2dxy -0.236772 0.029336 0.217921 0.131558 0.033058 -0.084015 34O 1f0 -0.011902 -0.002914 0.023500 -0.005191 -0.006828 -0.013800 34O 1f+1 -0.031518 0.007692 0.033288 0.002325 -0.004490 0.015854 34O 1f-1 0.005119 0.000289 0.003256 0.000302 0.003819 -0.021654 34O 1f+2 0.001888 -0.006905 -0.042386 0.016506 0.009689 -0.001015 34O 1f-2 -0.001748 -0.009986 -0.014941 0.007853 0.006038 -0.015696 34O 1f+3 -0.019720 0.000632 0.001498 0.018511 0.012913 0.012596 34O 1f-3 0.007777 0.020042 0.041498 -0.014279 -0.003460 -0.045182 35O 1s -0.010916 0.015778 0.007532 -0.004232 -0.018791 -0.026269 35O 2s -0.042986 0.054623 0.022647 -0.014664 -0.068219 -0.086749 35O 3s 0.450095 -0.407307 -0.098873 0.142022 0.570019 0.556807 35O 4s -1.433992 0.741858 -0.200939 -0.436396 -1.265064 -0.521458 35O 5s 1.436712 -1.451670 -0.024775 -0.323474 1.755231 1.356672 35O 1pz 0.151387 0.119443 0.223349 0.242148 -0.199080 0.131021 35O 1px -0.243282 0.016875 -0.136134 -0.087060 -0.126514 0.082135 35O 1py 0.015312 0.110295 0.110642 0.055649 -0.115514 0.052639 35O 2pz -0.428729 -0.274327 -0.539070 -0.639030 0.449059 -0.290639 35O 2px 0.200332 -0.103758 0.095544 0.081121 0.229727 0.199445 35O 2py -0.222518 -0.288537 -0.346871 -0.206769 0.201802 0.052331 35O 3pz -0.487069 0.396566 0.021353 0.002153 -0.825840 0.123255 35O 3px 0.064334 -0.112499 -0.055881 -0.412083 -0.165861 0.429132 35O 3py -0.270940 0.293042 -0.019508 -0.204953 -0.542518 0.141734 35O 1dz2 -0.005195 -0.002444 -0.004316 -0.003321 0.004962 0.006435 35O 1dxz -0.007197 -0.001669 -0.010568 -0.002101 0.001519 0.000002 35O 1dyz 0.004181 -0.003851 0.000841 -0.001700 0.007584 0.001535 35O 1dx2y2 0.018797 0.001307 0.009373 0.009357 -0.002048 -0.005666 35O 1dxy 0.010329 0.001273 -0.000972 -0.008297 0.015049 -0.011387 35O 2dz2 0.001542 -0.025932 -0.011969 -0.038799 0.022532 -0.078475 35O 2dxz -0.154748 -0.037182 -0.140143 -0.192212 0.128438 -0.166549 35O 2dyz -0.024463 -0.046124 -0.020479 -0.127606 0.129097 -0.049139 35O 2dx2y2 0.117968 0.062246 0.103091 0.042416 0.058949 0.081866 35O 2dxy -0.025712 -0.078064 -0.082400 0.032306 -0.077997 0.061103 35O 1f0 0.007555 -0.002210 0.001963 -0.001546 0.026743 -0.021298 35O 1f+1 0.013567 0.013713 0.010855 -0.003068 0.024972 -0.010249 35O 1f-1 0.001481 -0.000662 -0.004693 0.004317 -0.000972 -0.022255 35O 1f+2 -0.007528 0.012046 0.011804 -0.010457 -0.002176 0.031702 35O 1f-2 -0.005859 -0.000403 -0.010610 0.013173 -0.035939 0.013285 35O 1f+3 -0.000257 0.014363 0.009167 -0.024412 0.019108 -0.003722 35O 1f-3 0.026885 -0.005075 0.012667 0.037839 -0.028670 -0.013687 534 535 536 537 538 539 3.43385 3.44228 3.44407 3.45723 3.47019 3.48109 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s -0.000079 0.002749 -0.001111 0.000745 -0.000098 0.000317 0Rh 2s 0.004976 -0.021122 0.002097 -0.006910 0.001096 -0.001273 0Rh 3s 0.002538 0.003581 -0.005346 0.000257 0.000078 0.001114 0Rh 4s -0.026506 0.114411 -0.012197 0.037521 -0.005889 0.007020 0Rh 5s 0.071204 -0.236342 0.003502 -0.084650 0.013089 -0.010036 0Rh 6s -0.119165 0.154524 0.088250 0.091037 -0.012007 -0.013718 0Rh 7s 0.661334 -0.057581 -0.795730 -0.305070 0.078774 0.242619 0Rh 8s 0.018423 -0.178334 -0.128041 0.017976 -0.009285 0.013504 0Rh 1pz -0.011435 -0.002850 -0.000708 0.010529 -0.002861 -0.000253 0Rh 1px 0.003547 -0.001010 -0.009228 0.004594 -0.002469 0.002108 0Rh 1py -0.010030 -0.003404 -0.005448 -0.008269 0.003109 0.001541 0Rh 2pz 0.042976 0.011258 0.002774 -0.039706 0.011289 0.001168 0Rh 2px -0.012876 0.003568 0.034246 -0.017565 0.009621 -0.007755 0Rh 2py 0.038069 0.013213 0.020270 0.031228 -0.012234 -0.005614 0Rh 3pz -0.068862 -0.031421 -0.006934 0.066221 -0.030783 -0.006700 0Rh 3px 0.010447 -0.001377 -0.044981 0.034792 -0.023280 0.008473 0Rh 3py -0.069316 -0.031209 -0.027663 -0.053067 0.033109 0.005077 0Rh 4pz -0.061399 0.051958 0.007875 0.045962 0.047054 0.020436 0Rh 4px 0.066190 -0.020168 -0.095852 -0.006241 0.023619 0.030559 0Rh 4py -0.016009 0.031282 -0.052374 -0.031615 -0.051955 0.025655 0Rh 5pz 0.222949 -0.093387 -0.023104 -0.182104 -0.087219 -0.036623 0Rh 5px -0.188935 0.029679 0.301150 -0.008794 -0.025779 -0.091486 0Rh 5py 0.109592 -0.047655 0.153043 0.129747 0.094652 -0.064374 0Rh 6pz -0.273629 -0.143727 0.288551 0.139859 0.001313 -0.226932 0Rh 6px 0.566803 0.220877 -0.668721 -0.327594 -0.257800 0.202497 0Rh 6py -0.156454 0.004950 0.111969 0.133839 0.151355 -0.123166 0Rh 1dz2 -0.013761 -0.007184 -0.017545 -0.010475 -0.014031 -0.014303 0Rh 1dxz 0.005667 0.028583 -0.012240 -0.014718 0.009175 -0.018050 0Rh 1dyz 0.007955 -0.003716 -0.000608 0.001846 -0.033201 0.006999 0Rh 1dx2y2 -0.014379 -0.015881 0.000706 -0.012503 0.009452 -0.016322 0Rh 1dxy -0.005676 0.002898 0.018234 0.006414 -0.023196 -0.014331 0Rh 2dz2 -0.002864 -0.003321 -0.000512 -0.001554 0.001106 0.002550 0Rh 2dxz 0.001270 0.003213 -0.000118 -0.003018 0.001659 -0.003182 0Rh 2dyz 0.001207 -0.002211 0.001103 -0.001427 0.004551 0.012405 0Rh 2dx2y2 -0.000965 0.000117 -0.002533 -0.002042 0.003488 -0.000374 0Rh 2dxy 0.000423 0.001674 0.003036 0.001381 -0.000833 0.002640 0Rh 3dz2 0.059686 0.039447 0.061686 0.042695 0.042566 0.037158 0Rh 3dxz -0.024893 -0.111635 0.041995 0.063796 -0.038866 0.076337 0Rh 3dyz -0.032370 0.022831 -0.003160 0.000247 0.091816 -0.080780 0Rh 3dx2y2 0.052908 0.053459 0.009296 0.051844 -0.048281 0.057414 0Rh 3dxy 0.017275 -0.017474 -0.075680 -0.028071 0.082612 0.036919 0Rh 4dz2 -0.073612 -0.065295 -0.047298 -0.046276 -0.018813 -0.000615 0Rh 4dxz 0.031906 0.113710 -0.030495 -0.078922 0.046946 -0.091733 0Rh 4dyz 0.035526 -0.044907 0.017742 -0.015259 -0.013649 0.190782 0Rh 4dx2y2 -0.046350 -0.037931 -0.034673 -0.059754 0.075262 -0.046662 0Rh 4dxy -0.006608 0.031246 0.087978 0.035809 -0.067055 -0.000813 0Rh 5dz2 0.056580 0.146155 -0.056615 -0.024209 -0.022125 -0.047546 0Rh 5dxz -0.055611 0.007510 -0.036498 0.067852 -0.054957 0.055621 0Rh 5dyz -0.015076 0.169503 -0.087005 0.029192 -0.184448 -0.170530 0Rh 5dx2y2 -0.020948 -0.071146 0.070007 0.045960 -0.101359 -0.003156 0Rh 5dxy -0.059525 -0.066891 -0.084408 -0.058361 -0.009405 -0.036766 0Rh 1f0 0.015624 0.019551 -0.000718 0.024112 -0.002584 -0.016508 0Rh 1f+1 0.009908 -0.011365 0.020118 -0.013113 -0.000154 0.023551 0Rh 1f-1 0.041197 0.006913 0.019713 -0.007797 -0.004001 -0.024979 0Rh 1f+2 -0.027034 -0.033508 -0.005076 0.038166 0.000518 -0.015079 0Rh 1f-2 0.026651 -0.018983 0.022676 0.022156 -0.004645 0.041284 0Rh 1f+3 -0.003853 -0.022103 0.013969 -0.027168 0.007727 -0.009544 0Rh 1f-3 0.011156 -0.007678 0.001347 0.011551 -0.000320 -0.026311 1Rh 1s -0.000292 -0.002966 -0.000339 0.000771 0.000095 0.000293 1Rh 2s 0.006480 0.020752 -0.003532 -0.006988 -0.001043 -0.000994 1Rh 3s 0.002180 -0.005094 -0.004156 0.000366 -0.000064 0.001141 1Rh 4s -0.034664 -0.112679 0.018334 0.037961 0.005610 0.005511 1Rh 5s 0.087590 0.225971 -0.058546 -0.085160 -0.012493 -0.006533 1Rh 6s -0.127978 -0.119484 0.124491 0.089729 0.011670 -0.017681 1Rh 7s 0.648407 -0.193096 -0.774572 -0.292626 -0.082901 0.250400 1Rh 8s 0.033339 0.133562 -0.169161 0.006878 0.012791 0.012762 1Rh 1pz 0.011230 -0.002761 0.001381 -0.010772 -0.003304 0.000401 1Rh 1px -0.003611 0.002004 0.009087 -0.004525 -0.002605 -0.001905 1Rh 1py 0.009938 -0.002555 0.006257 0.008067 0.002817 -0.001529 1Rh 2pz -0.042161 0.010869 -0.005423 0.040652 0.012945 -0.001737 1Rh 2px 0.013115 -0.007613 -0.033668 0.017306 0.010137 0.006968 1Rh 2py -0.037711 0.010087 -0.023439 -0.030432 -0.011126 0.005583 1Rh 3pz 0.066501 -0.029570 0.014138 -0.068526 -0.033235 0.007910 1Rh 3px -0.010889 0.013238 0.043241 -0.034409 -0.024160 -0.006643 1Rh 3py 0.068463 -0.027691 0.035793 0.050925 0.031159 -0.005371 1Rh 4pz 0.065586 0.046568 -0.019184 -0.043385 0.043662 -0.020877 1Rh 4px -0.065881 0.011218 0.097539 0.006870 0.023129 -0.031990 1Rh 4py 0.016585 0.042723 0.041681 0.034830 -0.052731 -0.023570 1Rh 5pz -0.230849 -0.079076 0.042240 0.178299 -0.076575 0.035694 1Rh 5px 0.187031 -0.067433 -0.297131 0.006633 -0.024076 0.092966 1Rh 5py -0.109303 -0.078295 -0.134321 -0.135499 0.098696 0.058967 1Rh 6pz 0.276407 -0.229032 -0.226312 -0.155286 0.007453 0.261052 1Rh 6px -0.541210 0.415954 0.578929 0.336197 -0.245925 -0.217648 1Rh 6py 0.130434 -0.027082 -0.114147 -0.139346 0.140239 0.140376 1Rh 1dz2 -0.014383 0.003638 -0.019773 -0.009947 0.013167 -0.014983 1Rh 1dxz 0.002986 -0.030575 -0.004600 -0.014960 -0.010758 -0.018367 1Rh 1dyz 0.006756 0.002618 -0.003052 0.001193 0.033498 0.005494 1Rh 1dx2y2 -0.014652 0.017135 -0.004231 -0.012712 -0.010823 -0.016128 1Rh 1dxy -0.005079 0.002255 0.017603 0.005534 0.022873 -0.016191 1Rh 2dz2 -0.002614 0.003282 -0.001430 -0.001363 -0.001026 0.002376 1Rh 2dxz 0.000968 -0.003054 0.000633 -0.003201 -0.001967 -0.003228 1Rh 2dyz 0.001503 0.002264 0.000441 -0.001185 -0.004111 0.012046 1Rh 2dx2y2 -0.001213 -0.000659 -0.002474 -0.001895 -0.003598 -0.000336 1Rh 2dxy 0.000618 -0.000926 0.003344 0.001380 0.000951 0.002238 1Rh 3dz2 0.060633 -0.027293 0.073421 0.040026 -0.039983 0.040297 1Rh 3dxz -0.014435 0.117638 0.012641 0.065465 0.045678 0.077617 1Rh 3dyz -0.029711 -0.019397 0.008183 0.001337 -0.094848 -0.073960 1Rh 3dx2y2 0.054953 -0.055188 0.025802 0.051862 0.053454 0.056585 1Rh 3dxy 0.014363 -0.003409 -0.074953 -0.025078 -0.082049 0.045112 1Rh 4dz2 -0.071227 0.056731 -0.066126 -0.042276 0.017773 -0.005331 1Rh 4dxz 0.021257 -0.116089 -0.001563 -0.082270 -0.055383 -0.092943 1Rh 4dyz 0.037550 0.043800 0.000917 -0.013008 0.020553 0.180940 1Rh 4dx2y2 -0.050472 0.032990 -0.046092 -0.057784 -0.080176 -0.045745 1Rh 4dxy -0.002520 -0.008004 0.090909 0.033755 0.067881 -0.011287 1Rh 5dz2 0.041478 -0.157252 -0.012674 -0.028733 0.018926 -0.033891 1Rh 5dxz -0.055345 -0.017309 -0.031693 0.075816 0.062333 0.052658 1Rh 5dyz -0.033654 -0.184003 -0.032240 0.014716 0.178550 -0.144483 1Rh 5dx2y2 -0.010575 0.087191 0.049786 0.035246 0.101649 -0.002442 1Rh 5dxy -0.060193 0.048200 -0.097642 -0.061222 0.007637 -0.025249 1Rh 1f0 -0.014423 0.020645 -0.004822 -0.024405 -0.001879 0.016842 1Rh 1f+1 -0.010410 -0.016245 -0.015462 0.013499 -0.000709 -0.022781 1Rh 1f-1 -0.042484 0.002704 -0.021202 0.008316 -0.001634 0.025790 1Rh 1f+2 0.024507 -0.030996 0.013110 -0.038313 -0.000397 0.014374 1Rh 1f-2 -0.028123 -0.021659 -0.016383 -0.022433 -0.005815 -0.040265 1Rh 1f+3 0.002718 -0.026399 -0.007094 0.027735 0.008311 0.009416 1Rh 1f-3 -0.013237 -0.007236 -0.000007 -0.010956 0.001011 0.026472 2C 1s 0.011351 -0.007816 0.002573 -0.003703 -0.001689 -0.002838 2C 2s 0.028774 -0.020833 0.005733 -0.009323 -0.006770 -0.010497 2C 3s 0.268814 0.021790 0.067135 -0.090619 0.128082 0.171980 2C 4s -2.615447 0.946635 0.346759 0.653651 -0.429861 -0.354418 2C 5s 0.173574 1.622879 0.845859 -0.821431 0.898655 3.668533 2C 1pz -0.028626 0.094508 0.039366 -0.014358 -0.041954 0.031003 2C 1px 0.008011 -0.014255 0.096891 -0.023756 0.071253 0.112625 2C 1py 0.053948 -0.027539 -0.041147 0.007216 0.082232 -0.010313 2C 2pz -0.734839 0.014294 0.654290 0.181062 0.053377 -0.468752 2C 2px 0.003523 -0.181925 -0.534691 0.166579 -0.069647 -0.319530 2C 2py -0.805566 0.438421 0.748118 0.031937 -0.597765 -0.117753 2C 3pz -0.188468 0.394161 0.152126 -0.099152 0.199550 0.809018 2C 3px 0.033066 0.063974 -0.107521 -0.019251 -0.185581 0.088315 2C 3py -0.132234 0.294595 0.163887 -0.096535 0.239132 0.554768 2C 1dz2 0.047714 -0.026263 -0.119074 0.009999 0.126114 -0.095079 2C 1dxz 0.070402 -0.004590 -0.051818 -0.004704 -0.064078 -0.230160 2C 1dyz -0.001863 0.045394 0.161399 -0.036424 -0.028778 0.097943 2C 1dx2y2 0.036398 -0.092119 -0.043094 0.011829 0.242572 0.058780 2C 1dxy -0.033124 0.078027 0.123361 -0.031200 -0.081142 -0.007516 2C 2dz2 -0.062943 -0.166696 0.312376 0.044050 0.144584 -0.032568 2C 2dxz -0.337186 0.265013 0.208873 0.054477 -0.053359 0.281433 2C 2dyz -0.213708 -0.078302 0.154906 0.060210 -0.210335 -0.337880 2C 2dx2y2 0.254618 -0.164688 -0.357241 0.022197 -0.214030 -0.213520 2C 2dxy 0.048824 -0.169442 -0.475845 0.130573 0.123828 -0.264175 2C 1f0 -0.014335 0.020989 0.161325 -0.033421 -0.080134 0.020327 2C 1f+1 -0.087049 0.130434 0.056303 -0.027176 -0.127166 -0.107059 2C 1f-1 -0.045423 -0.106445 0.036045 0.048271 0.122853 0.065059 2C 1f+2 -0.009704 0.004035 -0.033764 0.010042 0.088441 0.061235 2C 1f-2 -0.216909 0.151739 -0.087492 0.088037 0.031241 0.004367 2C 1f+3 0.045695 -0.037049 0.075314 -0.007411 -0.023693 0.004939 2C 1f-3 -0.095403 0.041629 -0.001823 0.055556 0.087427 -0.043521 3C 1s -0.000634 -0.000937 -0.003923 -0.010643 -0.002363 0.000947 3C 2s -0.000850 0.000403 -0.010330 -0.026760 -0.006844 0.004856 3C 3s -0.045935 -0.177586 -0.070246 -0.232610 0.107748 -0.121391 3C 4s -0.112449 1.028838 1.328138 1.899976 -0.036038 -0.072037 3C 5s -0.093348 -0.711037 0.357327 -0.418525 1.903340 -3.715502 3C 1pz 0.009838 -0.017676 -0.041648 -0.009392 0.003289 0.076372 3C 1px -0.027899 -0.099325 -0.008291 -0.034953 -0.011263 -0.045488 3C 1py 0.013119 -0.025001 -0.051121 -0.000331 -0.076413 0.064642 3C 2pz -0.362040 0.674046 0.852137 0.161217 0.231720 -0.476542 3C 2px -0.005256 0.331494 0.100391 0.301571 -0.013478 0.160520 3C 2py 0.267828 -0.157716 -0.563569 -0.263032 0.305110 -0.147886 3C 3pz -0.035675 -0.241241 0.149948 0.029702 0.181852 -0.549528 3C 3px 0.009080 -0.000987 0.015121 0.036042 0.281112 -0.270391 3C 3py -0.024539 0.065240 -0.126004 -0.110263 -0.372837 0.766618 3C 1dz2 -0.006177 0.073737 -0.010937 0.009053 -0.030977 -0.056121 3C 1dxz 0.008361 0.195875 0.063951 -0.042931 0.103651 -0.014395 3C 1dyz 0.040756 -0.004707 -0.071279 0.018244 -0.012427 0.156072 3C 1dx2y2 -0.002181 0.005740 0.049627 0.002557 0.010343 -0.166131 3C 1dxy 0.024754 -0.039585 -0.020125 0.095002 -0.060753 -0.040192 3C 2dz2 -0.082656 0.131270 0.233837 -0.052314 0.238585 -0.318015 3C 2dxz -0.088412 -0.039484 0.199681 0.182125 -0.052437 -0.101083 3C 2dyz 0.042212 -0.067041 -0.034520 0.017692 0.175168 -0.325270 3C 2dx2y2 0.225229 0.045374 -0.340624 0.075477 0.048895 0.388338 3C 2dxy 0.067581 -0.216250 -0.193792 -0.214198 -0.016765 0.095221 3C 1f0 0.027224 0.111367 -0.000821 -0.022889 0.115974 0.067990 3C 1f+1 0.027380 0.007577 0.054753 0.164330 0.013257 0.000964 3C 1f-1 0.019292 0.113799 0.087846 0.091858 0.041661 -0.035025 3C 1f+2 0.002551 0.097379 0.017174 -0.095262 0.036249 0.020589 3C 1f-2 0.012339 -0.120351 -0.060042 0.004482 -0.031937 -0.035626 3C 1f+3 -0.028392 0.050903 0.094980 0.147991 -0.031554 0.023739 3C 1f-3 0.069488 -0.042386 -0.059191 0.176709 -0.078085 0.045998 4C 1s 0.003182 -0.002396 0.002810 0.000190 0.001317 0.001125 4C 2s 0.009094 -0.005105 0.009673 -0.000093 0.005298 0.005050 4C 3s -0.038582 -0.402304 -0.466152 0.146037 -0.111928 -0.416889 4C 4s -0.009472 2.261998 1.551155 -0.641000 0.262581 1.650834 4C 5s -0.244316 0.280271 -0.186409 -0.145879 -0.509230 0.797539 4C 1pz 0.080503 -0.080855 -0.079417 0.013013 0.107718 0.054704 4C 1px 0.300115 -0.188885 0.084097 -0.074739 0.000250 -0.029145 4C 1py 0.067882 -0.039531 0.035844 -0.036819 -0.029323 0.048701 4C 2pz -1.036407 0.638825 1.234644 0.015968 -0.445876 -0.322288 4C 2px -1.993832 1.233338 -0.888257 0.590466 -0.285392 -0.036863 4C 2py -0.951313 0.521770 0.397980 0.246407 -0.009485 -0.227682 4C 3pz -0.416167 1.839732 0.583979 -0.756531 0.711655 3.970339 4C 3px -0.460328 0.523537 0.098895 -0.052012 0.587341 0.655119 4C 3py -0.510106 1.351495 0.368575 -0.430677 0.107542 2.668564 4C 1dz2 -0.141610 0.141993 0.098464 -0.027958 -0.218992 0.057079 4C 1dxz -0.149156 0.079666 0.158132 -0.019875 -0.019508 0.128759 4C 1dyz -0.027090 -0.045238 -0.025665 0.050230 0.061532 -0.120285 4C 1dx2y2 -0.026759 0.077081 0.003308 -0.032062 -0.238444 -0.158288 4C 1dxy -0.009144 -0.028120 -0.052970 0.012499 0.021085 -0.125404 4C 2dz2 1.183053 -1.020188 -0.395977 -0.157133 0.539844 -0.118278 4C 2dxz -0.217251 0.026575 -1.642707 0.424774 -0.240670 -0.495900 4C 2dyz 0.564094 -0.114755 -0.266605 -0.190672 -0.052679 0.345917 4C 2dx2y2 -0.765462 0.812432 0.879611 0.003740 0.269516 0.570013 4C 2dxy -0.706231 0.790925 -0.386404 0.146855 -0.216258 0.227206 4C 1f0 0.005747 -0.043018 -0.032327 -0.006021 -0.075482 0.038714 4C 1f+1 0.002532 -0.011087 0.058676 0.007714 -0.040795 0.083733 4C 1f-1 0.051538 -0.033146 0.090030 -0.023071 -0.047116 -0.026155 4C 1f+2 0.068157 0.121102 0.351666 -0.131050 -0.155516 0.060663 4C 1f-2 -0.442213 0.267717 -0.268167 0.127941 -0.039816 -0.013452 4C 1f+3 0.365906 -0.190400 0.113432 -0.088960 0.169721 -0.073190 4C 1f-3 0.320819 -0.263123 -0.096182 -0.053412 0.052288 -0.094675 5C 1s -0.003434 -0.002249 0.000104 -0.003172 -0.002441 -0.002008 5C 2s -0.010450 -0.007825 0.001739 -0.009781 -0.004653 -0.007750 5C 3s 0.242098 0.056348 -0.309580 0.220987 -0.421568 0.569830 5C 4s -0.770080 0.049933 1.340985 -0.673847 2.433956 -2.260453 5C 5s 0.242161 0.562336 0.090818 0.359803 0.227458 -0.993388 5C 1pz 0.019678 0.030157 0.022584 0.076662 0.009372 -0.047143 5C 1px -0.039157 -0.090318 -0.082139 -0.242192 0.002210 -0.006088 5C 1py -0.013604 0.136725 0.108856 0.066324 0.067126 -0.003958 5C 2pz -0.436962 -0.056069 0.476988 -0.453532 0.001124 -0.163584 5C 2px 0.248996 0.806341 0.586214 1.768378 0.206977 0.024745 5C 2py 0.448558 -0.836830 -1.278380 -0.560179 -0.429464 0.335651 5C 3pz 0.098104 0.156245 0.289940 0.237614 1.326206 -2.418239 5C 3px 0.142347 0.047327 0.312936 0.327526 0.428285 -1.458862 5C 3py -0.137146 0.510870 -0.530132 -0.226571 -1.997937 4.018175 5C 1dz2 -0.024709 -0.236472 -0.077386 -0.043608 -0.068131 -0.070036 5C 1dxz -0.010636 -0.158837 -0.020292 0.012151 -0.097186 -0.054910 5C 1dyz 0.000198 0.046297 0.035508 -0.009051 0.037791 -0.160943 5C 1dx2y2 0.040445 -0.116809 -0.126611 -0.079556 -0.091049 0.203245 5C 1dxy 0.026598 -0.023709 -0.079360 -0.040729 0.027926 0.055466 5C 2dz2 0.010866 0.063478 -0.197199 -0.399437 -0.275959 0.315508 5C 2dxz 0.400755 0.212825 -0.634444 0.332394 -0.207021 0.734030 5C 2dyz 0.038774 0.249575 0.186850 0.678398 -0.177492 0.460982 5C 2dx2y2 -0.375953 0.792408 1.203986 0.734811 0.769130 -0.934592 5C 2dxy -0.530727 -0.317912 0.474902 -0.750956 0.010508 -0.483339 5C 1f0 0.091810 0.088288 0.000674 0.254047 0.024507 -0.031061 5C 1f+1 0.050592 -0.100195 -0.155223 -0.035816 -0.114861 0.190605 5C 1f-1 0.046766 0.224620 0.140652 0.320481 0.112097 -0.090236 5C 1f+2 -0.102028 -0.108244 -0.024592 -0.322323 -0.102318 -0.039496 5C 1f-2 -0.118381 0.033201 0.081033 -0.378527 0.097771 -0.153337 5C 1f+3 -0.020168 0.032927 0.014073 -0.104122 -0.072052 -0.034496 5C 1f-3 0.041971 0.142164 0.148717 0.251223 0.106521 0.006364 6C 1s -0.003185 0.002488 -0.000473 -0.003185 0.002340 -0.002088 6C 2s -0.009722 0.008946 -0.000390 -0.009706 0.004293 -0.007912 6C 3s 0.263222 -0.168038 -0.268990 0.214845 0.446200 0.548970 6C 4s -0.890904 0.417501 1.232778 -0.643695 -2.529404 -2.148754 6C 5s 0.173202 -0.542352 0.212856 0.335353 -0.257540 -0.961742 6C 1pz -0.015770 0.027047 -0.028731 -0.077096 0.010050 0.050308 6C 1px 0.026010 -0.075788 0.099430 0.245754 0.004542 0.001076 6C 1py 0.028945 0.102987 -0.138683 -0.060561 0.065772 0.001131 6C 2pz 0.436925 -0.231874 -0.443349 0.462763 0.010079 0.145638 6C 2px -0.164759 0.700008 -0.764014 -1.806291 0.184708 0.001800 6C 2py -0.547490 -0.437083 1.432402 0.528789 -0.422919 -0.313081 6C 3pz -0.044393 0.053152 -0.292761 -0.254590 1.414709 2.392717 6C 3px -0.074863 -0.037067 -0.278200 -0.342584 0.485598 1.437181 6C 3py 0.083103 0.675224 0.335785 0.296683 -2.153110 -3.943535 6C 1dz2 -0.002746 0.211258 -0.134848 -0.030878 0.064228 -0.074475 6C 1dxz 0.001054 0.150090 -0.063289 0.017985 0.094711 -0.057331 6C 1dyz -0.010466 -0.033434 0.043383 -0.013168 -0.044891 -0.160804 6C 1dx2y2 0.053530 0.076201 -0.151713 -0.077863 0.096782 0.204649 6C 1dxy 0.034212 0.000642 -0.080666 -0.037548 -0.025602 0.055246 6C 2dz2 0.019716 -0.106472 -0.165206 -0.427691 0.280828 0.312087 6C 2dxz 0.417539 -0.432249 -0.538467 0.338005 0.241465 0.716732 6C 2dyz 0.035869 -0.222044 0.252775 0.692498 0.207531 0.441334 6C 2dx2y2 -0.481556 -0.426903 1.343740 0.746301 -0.790396 -0.918272 6C 2dxy -0.528050 0.510656 0.363604 -0.777927 -0.036842 -0.459670 6C 1f0 -0.084386 0.099492 -0.025323 -0.255788 0.024145 0.039624 6C 1f+1 -0.066189 -0.054270 0.175579 0.042386 -0.125922 -0.191497 6C 1f-1 -0.020107 0.190344 -0.189452 -0.315351 0.110471 0.091206 6C 1f+2 0.093277 -0.112803 0.052892 0.321182 -0.095780 0.035494 6C 1f-2 0.125558 -0.012630 -0.085999 0.392791 0.107967 0.141253 6C 1f+3 0.023481 0.025212 -0.023903 0.110307 -0.068106 0.038999 6C 1f-3 -0.019352 0.105148 -0.175158 -0.248673 0.102122 -0.010564 7C 1s 0.003263 0.002868 0.002073 0.000254 -0.001337 0.001311 7C 2s 0.009154 0.006998 0.007953 -0.000022 -0.005266 0.005686 7C 3s -0.022915 0.257175 -0.543018 0.170583 0.102478 -0.400802 7C 4s -0.100963 -1.729919 2.029338 -0.773562 -0.223235 1.542798 7C 5s -0.213256 -0.314922 -0.127857 -0.152181 0.527554 0.677729 7C 1pz -0.075058 -0.048975 0.096434 -0.017756 0.104745 -0.066386 7C 1px -0.306999 -0.190812 -0.027282 0.073621 0.011017 0.029762 7C 1py -0.072275 -0.046216 -0.024929 0.039201 -0.030735 -0.051698 7C 2pz 1.006458 0.199531 -1.349383 0.011390 -0.429059 0.392062 7C 2px 2.058128 1.342802 0.520902 -0.591796 -0.347907 0.028227 7C 2py 0.985557 0.356513 -0.517107 -0.251539 -0.018564 0.253645 7C 3pz 0.557400 1.593493 -1.013886 0.859575 0.568560 -3.975040 7C 3px 0.476404 0.454608 -0.236009 0.049220 0.551165 -0.643500 7C 3py 0.576847 1.178895 -0.714607 0.505837 0.007178 -2.656619 7C 1dz2 -0.139744 -0.099905 0.135724 -0.037904 0.225859 0.053881 7C 1dxz -0.143828 -0.025708 0.178639 -0.024462 0.028948 0.127322 7C 1dyz -0.030369 0.035912 -0.037654 0.055962 -0.064136 -0.120156 7C 1dx2y2 -0.016946 -0.069985 0.024882 -0.040754 0.235119 -0.172987 7C 1dxy -0.003549 0.014571 -0.058620 0.014876 -0.026994 -0.132439 7C 2dz2 1.211953 0.813574 -0.644503 -0.128937 -0.576398 -0.092210 7C 2dxz -0.254668 -0.483491 -1.569045 0.452489 0.253669 -0.470356 7C 2dyz 0.571421 0.006949 -0.290386 -0.201105 0.056106 0.344558 7C 2dx2y2 -0.796006 -0.493206 1.050798 -0.020676 -0.245586 0.551461 7C 2dxy -0.760258 -0.837821 -0.173124 0.134305 0.248269 0.220928 7C 1f0 -0.007041 -0.032758 0.042475 0.006622 -0.078641 -0.044430 7C 1f+1 -0.004121 -0.019096 -0.059647 -0.007019 -0.053632 -0.089279 7C 1f-1 -0.055374 -0.054291 -0.081575 0.026385 -0.046703 0.026911 7C 1f+2 -0.087321 0.015193 -0.369743 0.146300 -0.153527 -0.036495 7C 1f-2 0.449794 0.304206 0.179057 -0.125201 -0.050931 0.011332 7C 1f+3 -0.364944 -0.192884 -0.051481 0.080562 0.185214 0.078651 7C 1f-3 -0.340141 -0.220660 0.159514 0.047697 0.071584 0.089532 8C 1s -0.000372 0.000174 -0.003897 -0.010934 0.002243 0.001310 8C 2s -0.000381 -0.002423 -0.009492 -0.027686 0.006642 0.005854 8C 3s -0.037303 0.163605 -0.117586 -0.226563 -0.117473 -0.116324 8C 4s -0.205996 -0.676412 1.542733 1.894804 0.070826 -0.108974 8C 5s -0.121525 0.854485 0.118780 -0.352380 -2.057042 -3.650029 8C 1pz -0.012599 -0.005245 0.045408 0.007372 0.000427 -0.078396 8C 1px 0.022410 -0.099060 0.035750 0.032911 -0.008740 0.048147 8C 1py -0.019159 -0.009519 0.054436 0.000655 -0.079660 -0.062470 8C 2pz 0.440379 0.393008 -0.984477 -0.131137 0.244164 0.463167 8C 2px 0.012382 0.307420 -0.186668 -0.302566 -0.032536 -0.156438 8C 2py -0.277151 0.012237 0.590156 0.255324 0.318167 0.144779 8C 3pz 0.037340 -0.282836 -0.076883 -0.048282 0.205420 0.539545 8C 3px -0.012109 -0.006334 -0.018386 -0.043707 0.290547 0.260242 8C 3py 0.013063 0.104257 0.094102 0.124029 -0.400692 -0.764209 8C 1dz2 -0.009128 -0.077206 0.009181 0.005371 0.027720 -0.062703 8C 1dxz -0.006407 -0.173833 0.117550 -0.049877 -0.107103 -0.008091 8C 1dyz 0.046686 -0.019513 -0.067814 0.020346 0.019543 0.161401 8C 1dx2y2 -0.004981 0.007966 0.051742 0.001665 -0.018578 -0.173040 8C 1dxy 0.029832 0.028754 -0.028395 0.098211 0.061794 -0.048096 8C 2dz2 -0.112445 -0.049744 0.254688 -0.058332 -0.251840 -0.307518 8C 2dxz -0.093520 0.098976 0.170537 0.187897 0.055678 -0.102380 8C 2dyz 0.035787 0.055905 -0.057690 0.027321 -0.189993 -0.329929 8C 2dx2y2 0.232498 -0.158965 -0.312527 0.078187 -0.032473 0.393077 8C 2dxy 0.080478 0.160868 -0.249403 -0.216785 0.014811 0.104738 8C 1f0 -0.015770 0.108382 -0.027124 0.023537 0.112846 -0.077958 8C 1f+1 -0.019788 -0.003735 -0.049664 -0.161426 0.011789 0.001962 8C 1f-1 -0.004139 0.090268 -0.112405 -0.091770 0.042321 0.036617 8C 1f+2 0.007464 0.089526 -0.042034 0.102111 0.038033 -0.028618 8C 1f-2 -0.019704 -0.100608 0.091398 -0.002593 -0.029585 0.040145 8C 1f+3 0.036623 0.027287 -0.101236 -0.145727 -0.035649 -0.021329 8C 1f-3 -0.071305 -0.014763 0.071083 -0.181817 -0.082266 -0.037306 9C 1s 0.011992 0.007722 0.000144 -0.003562 0.001283 -0.003439 9C 2s 0.030676 0.020379 -0.000718 -0.008905 0.005569 -0.012358 9C 3s 0.261374 -0.015911 0.067425 -0.098141 -0.126921 0.178352 9C 4s -2.637919 -0.682874 0.609726 0.661226 0.465573 -0.354433 9C 5s 0.037525 -1.341281 1.224019 -0.927093 -0.774240 3.703704 9C 1pz 0.031385 0.078692 -0.061832 0.019950 -0.046089 -0.026177 9C 1px -0.007120 -0.040600 -0.093737 0.025391 0.067208 -0.123837 9C 1py -0.051377 -0.013029 0.047937 -0.009627 0.087101 0.006459 9C 2pz 0.720269 -0.205792 -0.636002 -0.198609 0.072832 0.487552 9C 2px 0.006212 -0.023686 0.569377 -0.187377 -0.060776 0.302242 9C 2py 0.782761 0.164393 -0.829429 -0.017255 -0.609479 0.161939 9C 3pz 0.219117 0.326913 -0.255361 0.117853 0.167078 -0.823553 9C 3px -0.024537 0.093007 0.095345 0.028603 -0.187453 -0.079381 9C 3py 0.165070 0.236767 -0.230208 0.111460 0.212494 -0.575019 9C 1dz2 0.045384 -0.004811 -0.129024 0.015515 -0.138646 -0.092699 9C 1dxz 0.074776 -0.011299 -0.064824 -0.002828 0.048529 -0.255451 9C 1dyz 0.003115 0.000763 0.168725 -0.041507 0.032907 0.094674 9C 1dx2y2 0.033959 0.079690 -0.068581 0.020283 -0.248423 0.081485 9C 1dxy -0.032995 -0.038317 0.139517 -0.038298 0.079721 -0.012185 9C 2dz2 -0.052113 0.246666 0.258642 0.053799 -0.147584 -0.030107 9C 2dxz -0.352419 -0.185594 0.279982 0.046989 0.077587 0.297416 9C 2dyz -0.204843 0.129705 0.132096 0.066669 0.202909 -0.345672 9C 2dx2y2 0.253666 0.036717 -0.381104 0.023254 0.214659 -0.224204 9C 2dxy 0.044300 0.030144 -0.509216 0.150204 -0.134289 -0.258303 9C 1f0 0.012755 -0.022186 -0.160054 0.038256 -0.081855 -0.017180 9C 1f+1 0.086360 0.104860 -0.084601 0.031632 -0.125307 0.126796 9C 1f-1 0.044993 -0.115176 -0.013933 -0.052825 0.116741 -0.087465 9C 1f+2 -0.000520 0.009307 0.027049 -0.007358 0.081262 -0.065232 9C 1f-2 0.220422 0.160348 0.039815 -0.088242 0.025343 -0.005017 9C 1f+3 -0.046635 -0.050687 -0.064415 0.008111 -0.030162 -0.004289 9C 1f-3 0.081775 0.028102 -0.011035 -0.053274 0.086784 0.050172 10H 1s 0.024314 -0.033287 0.093001 -0.013519 0.137539 0.167497 10H 2s -0.022879 0.197995 0.518379 -0.123201 -0.067052 0.023948 10H 3s -0.118510 -0.103334 -0.050362 0.078100 0.072797 -0.081792 10H 1pz 0.034490 0.056727 0.122941 -0.052732 -0.070732 -0.092066 10H 1px -0.078435 -0.023636 -0.104462 0.042930 0.103091 0.106578 10H 1py -0.101394 0.101024 0.136155 0.004799 0.008146 0.058813 11H 1s 0.100530 -0.103630 -0.147547 0.018770 0.021523 -0.189067 11H 2s 0.529793 -0.468511 -0.122636 -0.077315 0.205755 -0.180289 11H 3s -0.171756 0.011291 -0.133130 0.099955 -0.135495 -0.205380 11H 1pz 0.176935 -0.183900 -0.025252 0.002306 0.216766 0.079459 11H 1px 0.175245 -0.090544 0.077395 -0.070776 -0.101951 -0.069265 11H 1py 0.012245 -0.029445 -0.101799 0.035745 0.015054 -0.022019 12H 1s -0.004726 0.031353 0.131535 -0.029896 -0.126552 0.000525 12H 2s 0.355651 -0.202225 0.238040 -0.131342 -0.141786 0.022341 12H 3s -0.214114 0.032809 -0.060818 0.068517 -0.059674 -0.173802 12H 1pz -0.052674 0.047792 0.034143 -0.012500 -0.066199 0.064537 12H 1px 0.073278 -0.066853 -0.074348 0.011030 0.008198 -0.123774 12H 1py 0.204947 -0.122676 0.140117 -0.082065 0.026832 0.072644 13H 1s -0.053958 -0.116193 0.022037 -0.026802 -0.063505 -0.114405 13H 2s -0.185929 0.168056 0.305150 -0.261527 0.143575 -0.269965 13H 3s 0.034313 -0.061507 -0.008084 0.138116 -0.182260 0.150066 13H 1pz -0.053403 0.083204 0.129737 -0.053053 0.062551 -0.108902 13H 1px 0.021843 -0.067828 0.019420 0.154687 -0.044777 -0.080227 13H 1py 0.042493 -0.083265 -0.067440 0.104985 -0.038817 -0.004529 14H 1s -0.026777 0.057434 0.056659 -0.078310 0.035453 -0.086405 14H 2s -0.135781 0.015449 -0.056944 -0.378503 0.037277 -0.122106 14H 3s 0.034672 0.067408 0.062955 0.182105 -0.046582 0.159090 14H 1pz -0.084384 -0.063099 0.002047 -0.178085 0.014519 -0.125410 14H 1px -0.038377 -0.035516 -0.065819 -0.133530 -0.026507 0.061471 14H 1py 0.001335 -0.044124 -0.020409 -0.035018 -0.045586 0.039098 15H 1s 0.033148 -0.006265 -0.093913 -0.031315 -0.049702 0.209758 15H 2s 0.035994 -0.355592 -0.316498 -0.366721 -0.242979 0.241144 15H 3s 0.050734 0.178555 0.025528 0.182453 -0.033273 0.221350 15H 1pz 0.022768 -0.065914 -0.040123 0.113697 -0.025426 0.020549 15H 1px 0.001312 0.015327 -0.049742 -0.155154 0.014429 0.037108 15H 1py 0.004330 0.247425 0.123417 0.123426 0.125661 0.005571 16H 1s -0.013576 -0.029940 0.022633 -0.004094 -0.011959 -0.014480 16H 2s 0.086746 0.086373 -0.067596 -0.124093 -0.015990 0.132527 16H 3s 0.012214 -0.043636 0.036087 0.017933 -0.043516 -0.097597 16H 1pz 0.020211 -0.006293 0.002116 -0.059125 -0.003368 0.054935 16H 1px -0.017581 0.012867 -0.008007 -0.003434 -0.009496 -0.006308 16H 1py -0.004918 -0.002955 0.008949 -0.002778 0.009394 0.026383 17H 1s -0.001181 -0.019840 0.010177 -0.014010 0.020936 -0.015511 17H 2s 0.081198 0.043482 -0.070750 -0.201340 -0.158250 -0.081226 17H 3s -0.039125 0.017331 0.029414 0.056727 0.096002 0.079425 17H 1pz -0.014495 -0.003993 0.015541 0.062360 0.036497 0.034927 17H 1px -0.014876 0.002370 0.005506 0.044042 0.026852 0.038912 17H 1py 0.006616 -0.009454 0.000639 -0.038926 -0.021942 -0.046569 18H 1s 0.000347 0.022572 0.004190 -0.012230 -0.020275 -0.015016 18H 2s 0.082633 -0.055488 -0.054033 -0.205328 0.143944 -0.079915 18H 3s -0.042234 -0.010731 0.031520 0.057956 -0.089938 0.080091 18H 1pz 0.016314 -0.005610 -0.014129 -0.063438 0.033447 -0.035900 18H 1px 0.016050 0.002192 -0.005684 -0.045191 0.023264 -0.038041 18H 1py -0.007162 -0.011207 0.001529 0.037037 -0.018267 0.045701 19H 1s -0.010504 0.036134 0.013181 -0.001420 0.013302 -0.018749 19H 2s 0.084776 -0.102460 -0.041814 -0.128787 0.016057 0.133596 19H 3s 0.014142 0.051682 0.023107 0.021724 0.036954 -0.099433 19H 1pz -0.023045 -0.007329 -0.000457 0.057849 -0.004559 -0.052151 19H 1px 0.018141 0.013371 0.004518 0.002901 -0.009919 0.007439 19H 1py 0.003087 -0.005361 -0.007205 0.003535 0.007048 -0.025261 20H 1s 0.039135 -0.021206 -0.091291 -0.032907 0.058660 0.212948 20H 2s 0.080367 0.261565 -0.387239 -0.363419 0.246529 0.245542 20H 3s 0.042117 -0.176026 0.070748 0.176872 0.045811 0.214610 20H 1pz -0.030570 -0.047841 0.056938 -0.119746 -0.027915 -0.015573 20H 1px -0.006193 0.025957 0.038649 0.157620 0.014915 -0.043560 20H 1py 0.020413 0.209427 -0.180596 -0.116773 0.122834 -0.010883 21H 1s -0.031492 -0.038432 0.072610 -0.081113 -0.041320 -0.084722 21H 2s -0.131848 -0.009670 -0.052199 -0.387734 -0.044428 -0.108710 21H 3s 0.030523 -0.058829 0.083274 0.182528 0.053956 0.156514 21H 1pz 0.078841 -0.074269 0.015166 0.177788 0.020094 0.123068 21H 1px 0.033187 -0.023152 0.075157 0.136144 -0.028153 -0.066864 21H 1py -0.004533 -0.038410 0.032408 0.035117 -0.046040 -0.040309 22H 1s -0.046232 0.124751 -0.011262 -0.022811 0.059333 -0.121776 22H 2s -0.219147 -0.054987 0.331599 -0.274924 -0.160931 -0.247311 22H 3s 0.041818 0.049453 -0.022498 0.141472 0.190107 0.137668 22H 1pz 0.067759 0.039462 -0.144512 0.057442 0.069626 0.101750 22H 1px -0.024637 -0.065467 0.001848 -0.158927 -0.044219 0.090085 22H 1py -0.053254 -0.055975 0.085595 -0.110684 -0.040264 0.014283 23H 1s -0.001793 0.002457 0.134126 -0.035483 0.132847 -0.010285 23H 2s 0.377566 0.246757 0.164030 -0.131113 0.135863 0.008858 23H 3s -0.215669 -0.040745 -0.048540 0.070580 0.061062 -0.173745 23H 1pz 0.056307 0.035334 -0.048255 0.016730 -0.072533 -0.070830 23H 1px -0.081614 -0.041750 0.094836 -0.014638 0.016338 0.133521 23H 1py -0.211320 -0.149225 -0.097260 0.080109 0.031146 -0.076442 24H 1s 0.103961 0.056678 -0.173600 0.025266 -0.037388 -0.194359 24H 2s 0.538917 0.389179 -0.244232 -0.060310 -0.225587 -0.169002 24H 3s -0.167122 -0.036807 -0.125171 0.103870 0.129463 -0.213215 24H 1pz -0.174790 -0.159562 0.068882 -0.009906 0.216872 -0.101020 24H 1px -0.179228 -0.098195 -0.048466 0.072055 -0.096060 0.078117 24H 1py -0.007062 0.001564 0.107721 -0.038886 0.014511 0.021535 25H 1s 0.021173 0.056470 0.086188 -0.012213 -0.131387 0.186975 25H 2s -0.008408 -0.042249 0.539545 -0.135689 0.060797 -0.022606 25H 3s -0.116800 0.091647 -0.067018 0.089094 -0.070401 -0.063024 25H 1pz -0.039726 0.020467 -0.126850 0.055888 -0.062055 0.116438 25H 1px 0.084221 0.002429 0.100018 -0.046443 0.096220 -0.129616 25H 1py 0.097150 0.054764 -0.157045 0.000173 0.001504 -0.051363 26O 1s -0.017420 0.027688 -0.009855 0.000270 0.014573 0.013734 26O 2s -0.051970 0.089524 -0.034433 -0.001072 0.053697 0.052073 26O 3s 0.141976 -0.483837 0.266858 0.061645 -0.477346 -0.430290 26O 4s 1.036860 -0.086046 -0.543217 -0.409816 1.171340 0.825111 26O 5s 1.673933 -3.230040 0.298852 0.340277 -0.907974 -3.030715 26O 1pz -0.104285 -0.021149 -0.259613 0.082622 -0.173972 -0.169451 26O 1px -0.188537 0.067511 0.065580 0.063177 -0.045166 -0.137036 26O 1py -0.040677 -0.045678 -0.118022 0.028558 -0.067370 -0.177010 26O 2pz 0.103404 0.156772 0.653849 -0.178979 0.397014 0.472232 26O 2px -0.544149 0.698052 -0.194713 0.041798 -0.100156 0.393370 26O 2py -0.419144 0.523312 0.276362 0.009259 0.052847 0.486312 26O 3pz -0.125471 -0.467373 0.132286 0.177598 -0.269516 -0.752776 26O 3px -0.824277 0.786924 0.251861 0.120946 0.138848 0.345131 26O 3py -0.323075 -0.006549 0.174970 0.113908 -0.002174 -0.344677 26O 1dz2 0.014466 -0.011319 0.009003 -0.006508 -0.003858 -0.000223 26O 1dxz 0.004215 -0.009705 -0.009635 0.001957 0.005822 -0.004372 26O 1dyz 0.005199 -0.007270 0.000830 0.002637 -0.000520 -0.011415 26O 1dx2y2 -0.014079 0.011598 0.000452 0.002528 0.002921 -0.005555 26O 1dxy -0.024470 0.014952 -0.000659 0.003412 -0.015722 -0.006212 26O 2dz2 -0.084114 0.087021 -0.036271 0.011149 -0.047892 -0.069670 26O 2dxz -0.122776 0.045876 -0.216896 0.060475 -0.048906 -0.011904 26O 2dyz 0.005694 -0.015967 -0.028482 0.016849 -0.048034 -0.069079 26O 2dx2y2 -0.009970 -0.024043 0.130036 -0.017468 -0.043027 0.048216 26O 2dxy 0.184728 -0.188364 -0.061735 -0.013206 0.064238 -0.031144 26O 1f0 0.028914 -0.014753 -0.004944 -0.004782 -0.000441 -0.007699 26O 1f+1 0.039650 -0.031622 -0.018926 -0.003465 0.012117 -0.021812 26O 1f-1 0.024158 -0.012776 0.012994 -0.011538 -0.015416 -0.004420 26O 1f+2 -0.048168 0.016124 -0.024194 0.014461 0.002867 0.007076 26O 1f-2 -0.017179 0.024164 0.028290 -0.006741 -0.025001 0.010046 26O 1f+3 0.024129 -0.032673 -0.019122 0.004017 0.037656 -0.003307 26O 1f-3 0.032900 -0.025327 0.016575 -0.011722 -0.016074 0.003344 27O 1s 0.002085 0.007436 0.011858 0.015678 0.002661 -0.010819 27O 2s 0.007190 0.020481 0.036668 0.049136 0.006164 -0.039634 27O 3s -0.052618 -0.029578 -0.155412 -0.201578 0.054492 0.284722 27O 4s 0.136989 -0.563313 -0.365647 -0.553124 -0.522979 -0.329438 27O 5s -0.115597 -0.536921 -1.334926 -1.374734 -1.692735 3.085779 27O 1pz 0.058522 -0.002551 -0.104622 -0.017237 -0.054330 0.120674 27O 1px -0.009352 0.085451 0.075039 0.077402 -0.032816 0.139187 27O 1py -0.134506 -0.142799 0.082901 -0.203440 0.025962 -0.192322 27O 2pz -0.126377 -0.002647 0.257709 0.068384 0.146804 -0.322881 27O 2px 0.051961 0.314768 0.350019 0.609520 0.562412 -0.577115 27O 2py 0.324574 0.244453 -0.328792 0.322245 -0.206074 0.591428 27O 3pz 0.039429 -0.003442 -0.113673 -0.165150 -0.334359 0.426962 27O 3px -0.164954 0.326966 0.646471 0.459815 0.242972 -0.530938 27O 3py 0.062144 -0.247652 -0.026488 -0.078417 0.339666 -0.467597 27O 1dz2 0.000662 -0.013084 -0.008486 -0.010997 -0.007117 -0.001678 27O 1dxz 0.004804 0.006531 -0.002188 0.006372 0.001912 0.000132 27O 1dyz 0.000540 -0.003154 -0.001146 0.003231 0.000096 -0.002850 27O 1dx2y2 0.004984 0.012242 0.008966 0.022337 0.009773 0.000990 27O 1dxy -0.003073 0.004878 0.006583 -0.001022 0.005145 -0.008013 27O 2dz2 0.008377 0.030488 0.041489 0.035636 0.050263 -0.038573 27O 2dxz 0.013675 -0.060397 -0.125691 -0.071689 -0.122183 0.100008 27O 2dyz 0.034145 -0.019274 0.009962 0.096631 0.041240 -0.030991 27O 2dx2y2 -0.056079 -0.163288 -0.069386 -0.175202 -0.056327 -0.037893 27O 2dxy -0.107625 -0.097551 0.047849 -0.184056 0.080984 -0.071174 27O 1f0 0.001023 0.019488 0.010492 0.012877 0.011384 -0.002646 27O 1f+1 -0.005456 -0.000815 -0.009504 -0.030619 -0.008919 -0.008023 27O 1f-1 0.000222 0.017455 0.010012 0.023524 0.006103 -0.005955 27O 1f+2 0.008041 -0.029992 -0.018524 0.014194 -0.034541 0.019284 27O 1f-2 0.013992 0.000627 -0.004399 0.043254 -0.005455 0.007678 27O 1f+3 0.005990 -0.002902 -0.014405 -0.013963 -0.013699 0.018764 27O 1f-3 0.000709 0.028916 0.031802 0.039517 0.007803 -0.025669 28O 1s 0.016586 0.010275 0.006501 -0.008121 -0.023434 0.005694 28O 2s 0.053618 0.036463 0.015458 -0.025989 -0.081021 0.022742 28O 3s -0.299118 -0.290200 0.112916 0.124363 0.634820 -0.194738 28O 4s 0.098258 0.642636 -1.512599 0.119715 -1.347724 0.318276 28O 5s -0.386286 -1.662313 -1.281100 0.901185 0.808855 -2.736460 28O 1pz 0.183113 -0.238354 -0.041410 -0.026554 0.016754 -0.171636 28O 1px -0.037086 -0.012735 -0.134739 0.019965 0.057886 0.140357 28O 1py 0.162386 -0.191717 0.007669 -0.036520 0.079464 -0.047016 28O 2pz -0.143924 0.599633 0.791702 -0.173301 0.020855 0.517924 28O 2px -0.286028 0.089214 -0.421669 0.213347 -0.207025 -0.349178 28O 2py -0.370920 0.485969 0.040580 0.054799 -0.152923 0.131381 28O 3pz -0.007735 -0.031995 0.415740 0.005619 -0.230443 -0.162261 28O 3px -0.017157 -0.395064 -0.600945 0.202941 0.194612 -0.470617 28O 3py 0.030008 -0.216161 0.032378 0.027247 0.053389 -0.328868 28O 1dz2 0.004008 -0.002344 0.004988 -0.000912 -0.000963 0.002256 28O 1dxz -0.023978 0.003724 -0.010942 0.008121 0.004680 0.009721 28O 1dyz -0.006406 0.000632 -0.003963 0.002813 0.001945 -0.000522 28O 1dx2y2 0.008196 -0.000040 0.009403 -0.004162 -0.004603 -0.006550 28O 1dxy -0.004609 0.000182 0.007572 0.001081 0.006065 0.003933 28O 2dz2 0.030087 -0.119542 -0.166801 0.009025 -0.019843 -0.026336 28O 2dxz -0.003379 0.082343 0.156710 -0.038862 -0.049138 0.003188 28O 2dyz 0.044584 -0.100399 0.059955 0.011010 0.016162 0.034288 28O 2dx2y2 -0.125332 0.094092 0.017558 0.032663 0.015642 0.010232 28O 2dxy -0.172515 0.132673 -0.048274 0.027504 0.006914 -0.035180 28O 1f0 -0.025869 0.003291 -0.027894 0.010779 -0.008025 0.000821 28O 1f+1 -0.016293 0.011218 -0.014498 0.011425 0.008353 0.000141 28O 1f-1 -0.032102 0.019872 0.010631 0.004794 0.013443 0.020928 28O 1f+2 0.019905 0.004369 0.046090 -0.013809 -0.012071 0.002407 28O 1f-2 -0.017523 0.020269 -0.020917 0.002945 -0.011432 -0.006418 28O 1f+3 0.000222 0.007852 0.012035 -0.005886 0.014060 -0.004214 28O 1f-3 -0.021321 0.015239 0.001623 0.001375 -0.004861 0.005133 29O 1s 0.004426 0.009855 -0.004523 -0.001504 -0.001621 0.001638 29O 2s 0.015618 0.034340 -0.016306 -0.004163 -0.005342 0.006086 29O 3s -0.120649 -0.263364 0.134209 0.005684 0.032776 -0.052942 29O 4s 0.275659 0.450031 -0.315052 -0.007954 -0.062507 0.122216 29O 5s -0.552953 -0.349000 0.574850 0.372391 0.210929 -0.196109 29O 1pz 0.000798 -0.024753 -0.006718 0.011646 -0.007887 -0.024982 29O 1px -0.007465 0.073208 0.002507 -0.019410 -0.021625 -0.019016 29O 1py -0.026382 0.010571 0.000552 0.011837 0.001717 0.007446 29O 2pz 0.004888 0.043673 0.021166 -0.028380 0.042278 0.136815 29O 2px -0.007394 -0.144961 0.009083 0.095666 0.074912 0.067877 29O 2py 0.067025 -0.026391 -0.005207 -0.080636 -0.021695 -0.024036 29O 3pz -0.031907 -0.001645 0.028700 0.060241 0.004431 -0.053091 29O 3px 0.145959 0.130582 -0.154342 -0.092192 -0.056125 0.030756 29O 3py 0.038142 0.068577 -0.072218 -0.092879 -0.087716 0.037527 29O 1dz2 -0.000246 -0.001156 0.000906 -0.002392 0.002046 0.002815 29O 1dxz -0.000133 -0.004346 0.001530 -0.002400 -0.001739 -0.001161 29O 1dyz 0.000213 -0.001700 0.002125 -0.000978 0.001934 0.008098 29O 1dx2y2 -0.001845 0.000330 -0.000106 0.001794 -0.000721 -0.000157 29O 1dxy 0.000628 0.000277 -0.000821 0.000780 0.005051 0.004300 29O 2dz2 0.001576 0.004846 -0.012125 0.006184 0.003884 -0.016284 29O 2dxz -0.009455 -0.010509 -0.001425 0.021881 0.002014 0.029845 29O 2dyz 0.001348 -0.003734 -0.001242 -0.005028 -0.008589 -0.029543 29O 2dx2y2 -0.010438 0.006754 0.009335 0.005617 -0.003501 0.004640 29O 2dxy 0.004628 -0.001361 -0.006863 -0.039931 -0.003099 -0.016178 29O 1f0 0.003372 0.005658 -0.004141 -0.001170 -0.001759 -0.000175 29O 1f+1 -0.002361 0.000192 0.001590 -0.000236 0.003295 -0.001527 29O 1f-1 0.000709 0.004165 -0.002541 0.000147 0.000303 0.001881 29O 1f+2 -0.001745 -0.007112 0.003484 -0.001802 -0.003519 -0.003200 29O 1f-2 -0.001914 0.002409 0.001175 0.001271 -0.003882 0.003455 29O 1f+3 -0.000384 -0.002530 0.001049 -0.002839 0.001002 0.000485 29O 1f-3 -0.001212 -0.000284 0.002321 -0.000145 -0.003038 -0.004062 30O 1s -0.000128 0.006339 -0.004716 -0.015622 0.038586 -0.013842 30O 2s 0.002879 0.021407 -0.019333 -0.047964 0.133079 -0.048891 30O 3s -0.118246 -0.169325 0.238733 0.183387 -0.987560 0.327917 30O 4s 0.751558 0.451696 -0.939058 0.537668 1.743606 -0.222026 30O 5s 0.144589 -0.064367 -0.497485 0.771594 -3.412775 3.442869 30O 1pz -0.030716 -0.073943 -0.039547 -0.210296 -0.146760 0.118455 30O 1px 0.074889 -0.084797 -0.113303 0.029388 -0.063607 -0.046360 30O 1py -0.021941 0.023983 0.107045 0.078159 0.195497 -0.199386 30O 2pz -0.097798 0.130284 0.295863 0.165653 0.468282 -0.454652 30O 2px 0.093478 0.276279 0.029555 0.505956 0.008104 0.331028 30O 2py 0.281880 -0.029509 -0.487687 0.251559 -0.596471 0.747466 30O 3pz -0.268310 -0.046829 0.254575 -0.125097 0.034802 -0.056911 30O 3px 0.212220 -0.089672 -0.369284 0.183252 -0.830623 0.869064 30O 3py 0.254296 -0.133137 -0.282707 0.033880 0.165186 -0.112002 30O 1dz2 0.003988 0.003485 -0.004409 0.011422 0.000668 0.004026 30O 1dxz 0.001331 -0.006320 -0.002525 0.010360 -0.005436 -0.003513 30O 1dyz 0.004469 -0.002533 -0.000653 0.003720 0.004307 -0.006152 30O 1dx2y2 -0.002901 -0.003299 0.001413 -0.003508 0.005954 0.001960 30O 1dxy -0.005598 -0.001824 -0.003198 -0.025395 0.005324 0.002383 30O 2dz2 -0.040154 -0.075291 -0.063679 -0.241385 -0.023720 -0.059492 30O 2dxz 0.004927 0.005058 0.013317 0.050706 0.085075 0.028709 30O 2dyz -0.018829 0.078718 0.100104 0.002524 0.105353 -0.028623 30O 2dx2y2 -0.062303 0.057795 0.141895 0.030933 -0.002232 -0.050587 30O 2dxy 0.076434 -0.012449 -0.108187 0.121172 -0.073721 0.086976 30O 1f0 0.005889 -0.002434 -0.018000 -0.005980 -0.006711 0.011913 30O 1f+1 0.001833 0.014547 0.010214 0.018584 0.007596 -0.000993 30O 1f-1 0.010182 0.022162 0.002124 0.022981 0.007987 0.009549 30O 1f+2 -0.007872 -0.006821 -0.003733 -0.028720 0.001123 0.011369 30O 1f-2 -0.017581 -0.001702 0.014683 -0.035323 0.012032 -0.023310 30O 1f+3 -0.002340 0.003906 0.013947 0.010197 -0.000163 -0.012988 30O 1f-3 -0.011958 0.008269 0.009602 -0.034551 0.005372 -0.007383 31O 1s 0.000155 -0.006493 -0.002298 -0.015437 -0.039391 -0.012231 31O 2s 0.004016 -0.023235 -0.010920 -0.047076 -0.135870 -0.043546 31O 3s -0.131379 0.222129 0.166967 0.170438 1.005622 0.294200 31O 4s 0.792100 -0.755640 -0.737182 0.588338 -1.753454 -0.187514 31O 5s 0.176817 -0.165576 -0.490162 0.749306 3.558676 3.296571 31O 1pz 0.022384 -0.066544 0.055051 0.213845 -0.148481 -0.119005 31O 1px -0.082244 -0.045993 0.130621 -0.031178 -0.061254 0.050434 31O 1py 0.027563 -0.005970 -0.107921 -0.088415 0.204289 0.196790 31O 2pz 0.126321 0.031448 -0.306178 -0.162623 0.480780 0.439303 31O 2px -0.084462 0.289776 -0.106315 -0.518902 -0.012155 -0.318037 31O 2py -0.307747 0.139034 0.466402 -0.239290 -0.631896 -0.723668 31O 3pz 0.267507 -0.134704 -0.232961 0.123624 0.032511 0.045467 31O 3px -0.231782 0.047399 0.374179 -0.182340 -0.864136 -0.825870 31O 3py -0.262171 -0.036225 0.303657 -0.043651 0.175799 0.099357 31O 1dz2 0.003795 -0.005099 -0.003320 0.011234 -0.000238 0.004229 31O 1dxz 0.001711 0.004877 -0.003924 0.011114 0.005245 -0.004097 31O 1dyz 0.004761 0.001826 -0.001251 0.004039 -0.004707 -0.006360 31O 1dx2y2 -0.002730 0.003898 0.000407 -0.003505 -0.005886 0.002242 31O 1dxy -0.005323 0.001961 -0.003285 -0.025659 -0.005508 0.003246 31O 2dz2 -0.030468 0.064224 -0.077277 -0.239845 0.015840 -0.058066 31O 2dxz 0.003512 -0.001084 0.012856 0.049142 -0.081344 0.033389 31O 2dyz -0.029968 -0.046866 0.114363 -0.000390 -0.105286 -0.021305 31O 2dx2y2 -0.073590 -0.015590 0.147819 0.032770 0.000192 -0.050419 31O 2dxy 0.080676 -0.026512 -0.106349 0.121112 0.080073 0.084641 31O 1f0 -0.007559 0.003200 0.017062 0.005542 -0.006958 -0.011429 31O 1f+1 -0.000110 0.011791 -0.013003 -0.017883 0.007188 0.000738 31O 1f-1 -0.008265 0.022098 -0.007671 -0.021852 0.007107 -0.009726 31O 1f+2 0.007229 -0.006817 0.005163 0.029051 0.001010 -0.012566 31O 1f-2 0.017968 -0.008417 -0.013769 0.036401 0.013359 0.021756 31O 1f+3 0.003968 0.000273 -0.013663 -0.010470 0.000625 0.013588 31O 1f-3 0.013189 0.003451 -0.010939 0.035680 0.005974 0.005840 32O 1s 0.003632 -0.010952 -0.001642 -0.001590 0.001389 0.001953 32O 2s 0.012797 -0.038373 -0.006234 -0.004505 0.004556 0.007232 32O 3s -0.097949 0.298047 0.056453 0.008820 -0.027441 -0.062580 32O 4s 0.235062 -0.537294 -0.177877 -0.015400 0.053428 0.141304 32O 5s -0.527554 0.512145 0.451936 0.384976 -0.192322 -0.214735 32O 1pz -0.002534 -0.021745 0.013116 -0.010455 -0.006630 0.024670 32O 1px 0.011938 0.067997 -0.021917 0.018374 -0.020621 0.018791 32O 1py 0.026914 0.009064 -0.002948 -0.011579 0.000851 -0.005704 32O 2pz -0.002278 0.036904 -0.032355 0.023199 0.036155 -0.134418 32O 2px 0.000051 -0.136961 0.030139 -0.094985 0.069550 -0.066473 32O 2py -0.070300 -0.023826 0.010848 0.079643 -0.017236 0.018958 32O 3pz 0.030655 -0.010346 -0.025686 -0.059460 0.005672 0.054565 32O 3px -0.137160 0.172262 0.111324 0.095659 -0.052847 -0.036771 32O 3py -0.035182 0.084162 0.051435 0.096180 -0.083739 -0.036135 32O 1dz2 0.000051 0.001369 0.000554 -0.002386 -0.001912 0.002682 32O 1dxz 0.000129 0.004718 0.000302 -0.002280 0.001665 -0.001238 32O 1dyz 0.000365 0.002266 0.001687 -0.000873 -0.001663 0.008028 32O 1dx2y2 -0.001897 -0.000335 -0.000081 0.001994 0.000836 -0.000430 32O 1dxy 0.000556 -0.000601 -0.000608 0.000977 -0.004824 0.004375 32O 2dz2 0.000588 -0.008276 -0.009880 0.005409 -0.005570 -0.012063 32O 2dxz -0.009186 0.009116 -0.004040 0.023030 -0.000308 0.029598 32O 2dyz 0.000886 0.003407 -0.002172 -0.005303 0.006571 -0.028133 32O 2dx2y2 -0.010830 -0.003540 0.010848 0.007128 0.003541 0.004950 32O 2dxy 0.005398 0.000861 -0.006606 -0.038068 0.001383 -0.014949 32O 1f0 -0.002729 0.006505 0.002205 0.001447 -0.001389 -0.000050 32O 1f+1 0.002279 -0.000605 -0.001589 0.000296 0.003310 0.001643 32O 1f-1 -0.000452 0.004798 0.001338 0.000428 0.000393 -0.002405 32O 1f+2 0.001246 -0.008260 -0.001511 0.001668 -0.003409 0.003583 32O 1f-2 0.002022 0.001826 -0.001807 -0.001091 -0.003963 -0.002946 32O 1f+3 0.000148 -0.002799 -0.000328 0.003025 0.000933 -0.000604 32O 1f-3 0.001104 -0.000923 -0.002065 0.000156 -0.002957 0.004110 33O 1s 0.015505 -0.008839 0.007567 -0.009724 0.022838 0.004188 33O 2s 0.049547 -0.033354 0.019748 -0.031450 0.079321 0.017875 33O 3s -0.259821 0.328004 0.065601 0.162531 -0.629920 -0.167649 33O 4s -0.014745 -1.062660 -1.339808 0.063499 1.372115 0.303001 33O 5s -0.276277 1.259811 -1.581528 1.069215 -0.862118 -2.623949 33O 1pz -0.202214 -0.212584 0.097999 0.018098 0.030361 0.172878 33O 1px 0.040787 0.024184 0.127710 -0.020755 0.050433 -0.149995 33O 1py -0.169498 -0.175701 0.042606 0.028864 0.084467 0.043641 33O 2pz 0.171068 0.351676 -0.901124 0.207747 0.003807 -0.493100 33O 2px 0.303278 0.197757 0.385966 -0.225636 -0.214348 0.340532 33O 2py 0.385109 0.426784 -0.166545 -0.034387 -0.160650 -0.120214 33O 3pz -0.006352 -0.150446 -0.393250 -0.003539 -0.217228 0.180420 33O 3px -0.003589 -0.211807 0.657229 -0.240097 0.199485 0.433083 33O 3py -0.035882 -0.215383 0.022689 -0.044761 0.065632 0.318446 33O 1dz2 0.004041 0.003077 0.004247 -0.000705 0.001122 0.002134 33O 1dxz -0.024515 -0.005624 -0.009069 0.008466 -0.003399 0.010839 33O 1dyz -0.006123 -0.001079 -0.003342 0.003100 -0.002007 -0.000223 33O 1dx2y2 0.008675 0.002562 0.008802 -0.004520 0.003854 -0.007250 33O 1dxy -0.005090 0.001690 0.007395 0.001180 -0.005522 0.004651 33O 2dz2 0.035107 0.072104 -0.188043 0.012562 0.014695 -0.017681 33O 2dxz -0.003781 -0.034856 0.169101 -0.046227 0.047568 -0.007534 33O 2dyz 0.042379 0.104789 0.031608 0.015310 -0.012786 0.042256 33O 2dx2y2 -0.127102 -0.081063 0.043677 0.032854 -0.009750 0.011101 33O 2dxy -0.172228 -0.125219 -0.009228 0.024343 -0.008059 -0.037000 33O 1f0 0.025804 0.008966 0.025152 -0.010782 -0.008700 -0.002484 33O 1f+1 0.017125 0.014740 0.010371 -0.011521 0.007036 -0.000916 33O 1f-1 0.032971 0.014796 -0.016127 -0.004498 0.011544 -0.022269 33O 1f+2 -0.022079 -0.008262 -0.044932 0.015262 -0.011050 0.000816 33O 1f-2 0.017120 0.023670 0.014222 -0.002401 -0.011643 0.007188 33O 1f+3 -0.000724 0.003623 -0.013327 0.006137 0.015070 0.005250 33O 1f-3 0.021228 0.012795 -0.005715 -0.000702 -0.005418 -0.004957 34O 1s -0.000102 -0.004692 0.012012 0.015336 -0.002743 -0.010655 34O 2s 0.000209 -0.012158 0.036050 0.047949 -0.006573 -0.039147 34O 3s -0.015088 -0.001358 -0.124237 -0.189891 -0.050428 0.282709 34O 4s 0.142366 0.447946 -0.551640 -0.590363 0.512529 -0.328520 34O 5s 0.070621 0.185889 -1.313403 -1.418460 1.779350 3.038460 34O 1pz -0.066269 0.033201 0.095927 0.013809 -0.058614 -0.121118 34O 1px 0.017023 0.065183 -0.095837 -0.076595 -0.037168 -0.137371 34O 1py 0.128807 -0.178525 -0.037690 0.202559 0.035158 0.188590 34O 2pz 0.144419 -0.088936 -0.234633 -0.058760 0.157554 0.324089 34O 2px -0.003661 0.227104 -0.405890 -0.627739 0.573440 0.566186 34O 2py -0.325227 0.365050 0.238803 -0.314849 -0.231796 -0.578666 34O 3pz -0.051678 0.029068 0.094956 0.174475 -0.343747 -0.436283 34O 3px 0.228576 0.140423 -0.680132 -0.465977 0.256957 0.519118 34O 3py -0.074719 -0.235348 0.098191 0.061347 0.355931 0.468465 34O 1dz2 0.002107 0.010766 -0.011454 -0.010683 0.006944 -0.001709 34O 1dxz 0.004350 -0.007399 -0.000310 0.005829 -0.001814 -0.000165 34O 1dyz 0.000747 0.002557 -0.002113 0.003511 -0.000068 -0.003103 34O 1dx2y2 0.003236 -0.010385 0.011680 0.022369 -0.009600 0.001304 34O 1dxy -0.003733 -0.002565 0.007519 -0.001193 -0.005381 -0.007964 34O 2dz2 0.002484 -0.019805 0.046307 0.037250 -0.052115 -0.037398 34O 2dxz 0.023856 0.021414 -0.135554 -0.067252 0.125245 0.099695 34O 2dyz 0.033596 0.016964 0.002714 0.098961 -0.041026 -0.035080 34O 2dx2y2 -0.037454 0.148839 -0.105869 -0.171974 0.051840 -0.041060 34O 2dxy -0.100059 0.121815 0.018936 -0.178865 -0.086181 -0.065787 34O 1f0 0.000969 0.016508 -0.014974 -0.012366 0.011243 0.002843 34O 1f+1 0.004868 0.000880 0.008717 0.031579 -0.007981 0.008585 34O 1f-1 0.001969 0.014781 -0.013776 -0.022959 0.005854 0.006018 34O 1f+2 -0.010795 -0.022719 0.025981 -0.015680 -0.035403 -0.017792 34O 1f-2 -0.013586 0.003975 0.004259 -0.043540 -0.006211 -0.006362 34O 1f+3 -0.007004 0.001023 0.014249 0.015300 -0.014545 -0.019143 34O 1f-3 0.003540 0.020664 -0.037602 -0.039329 0.008549 0.026650 35O 1s -0.017563 -0.028466 -0.001631 -0.000479 -0.013583 0.013123 35O 2s -0.052338 -0.092972 -0.007503 -0.003546 -0.050299 0.050382 35O 3s 0.137293 0.531151 0.111202 0.076660 0.456611 -0.425079 35O 4s 1.085595 -0.114003 -0.501988 -0.421201 -1.166476 0.842999 35O 5s 1.797871 3.107498 -0.576899 0.442802 0.762675 -2.988767 35O 1pz 0.101952 0.047079 0.254994 -0.087702 -0.173199 0.177519 35O 1px 0.185655 0.035708 -0.082075 -0.063471 -0.044194 0.142388 35O 1py 0.045501 -0.010058 0.129702 -0.035321 -0.063966 0.182980 35O 2pz -0.091677 -0.025811 -0.666716 0.193795 0.390050 -0.488692 35O 2px 0.589794 0.704655 0.014437 -0.024215 -0.130776 -0.382658 35O 2py 0.424933 0.398196 -0.411062 0.016482 0.029811 -0.489892 35O 3pz 0.083346 -0.491655 0.001353 -0.206807 -0.244916 0.793058 35O 3px 0.844771 0.647593 -0.447382 -0.107111 0.108265 -0.308052 35O 3py 0.317107 -0.068526 -0.154639 -0.129277 0.003760 0.381020 35O 1dz2 0.015145 0.012769 0.005630 -0.006359 0.003402 -0.000146 35O 1dxz 0.004272 0.006266 -0.012078 0.002485 -0.006064 -0.004047 35O 1dyz 0.005576 0.006931 -0.001450 0.002962 -0.000142 -0.011812 35O 1dx2y2 -0.014735 -0.010460 0.003102 0.002508 -0.002862 -0.006373 35O 1dxy -0.024138 -0.013226 0.003459 0.002764 0.016221 -0.007386 35O 2dz2 -0.081604 -0.087177 -0.013386 0.009882 0.045666 -0.079975 35O 2dxz -0.117828 -0.097388 -0.189723 0.060948 0.055271 -0.013570 35O 2dyz 0.011165 0.006229 -0.031849 0.018774 0.046992 -0.078296 35O 2dx2y2 -0.001267 0.064556 0.122251 -0.022330 0.043174 0.053862 35O 2dxy 0.183393 0.151104 -0.111408 -0.004193 -0.069249 -0.026108 35O 1f0 -0.029122 -0.011768 0.009507 0.004627 0.001086 0.007921 35O 1f+1 -0.041231 -0.024105 0.026935 0.002147 0.014981 0.021733 35O 1f-1 -0.025519 -0.015256 -0.008368 0.012081 -0.014056 0.005980 35O 1f+2 0.048494 0.019514 0.017219 -0.014613 0.001016 -0.008972 35O 1f-2 0.016505 0.014631 -0.033845 0.008118 -0.026230 -0.007799 35O 1f+3 -0.023349 -0.024239 0.027099 -0.006268 0.038374 0.001594 35O 1f-3 -0.035085 -0.026984 -0.010171 0.012136 -0.016328 -0.003555 540 541 542 543 544 545 3.49646 3.50691 3.51101 3.52867 3.52985 3.54511 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s -0.001696 0.002627 0.000191 0.000126 -0.000011 -0.000254 0Rh 2s 0.010342 -0.017401 -0.003366 -0.001035 0.003647 0.001771 0Rh 3s -0.003844 0.005122 -0.000899 0.000121 0.002134 -0.000443 0Rh 4s -0.056569 0.095027 0.018117 0.005580 -0.019715 -0.009641 0Rh 5s 0.108703 -0.188876 -0.044987 -0.011156 0.057957 0.019081 0Rh 6s -0.035102 0.089006 0.061880 0.003133 -0.120765 -0.007747 0Rh 7s -0.263271 0.274985 -0.125576 0.198381 0.962242 -0.100122 0Rh 8s 0.238940 -0.306499 0.003502 -0.043897 -0.122722 0.039506 0Rh 1pz -0.000466 0.005041 -0.000187 0.001478 -0.001131 -0.001035 0Rh 1px 0.002346 0.000437 0.002091 0.004128 0.005301 -0.002109 0Rh 1py -0.003367 0.002077 0.003152 -0.000885 0.002472 0.006015 0Rh 2pz 0.001817 -0.019547 0.000880 -0.005770 0.004548 0.003981 0Rh 2px -0.008935 -0.001943 -0.008013 -0.015645 -0.019379 0.007948 0Rh 2py 0.013209 -0.008064 -0.012323 0.003349 -0.009381 -0.022933 0Rh 3pz -0.004967 0.045090 -0.006104 0.014318 -0.013267 -0.008239 0Rh 3px 0.016673 0.009892 0.015522 0.027258 0.018183 -0.012871 0Rh 3py -0.034426 0.018674 0.030387 -0.005264 0.016402 0.043105 0Rh 4pz 0.010436 -0.038662 0.024112 -0.017277 0.017076 0.002425 0Rh 4px 0.002395 -0.028130 0.002220 0.014930 0.090454 -0.012164 0Rh 4py 0.047547 -0.015323 -0.032282 -0.007935 0.009830 0.006730 0Rh 5pz -0.032886 0.041597 -0.055257 0.032037 -0.003321 0.002668 0Rh 5px -0.021544 0.045931 -0.019737 -0.072709 -0.266169 0.049604 0Rh 5py -0.079632 0.009953 0.045081 0.026500 -0.049137 -0.069152 0Rh 6pz 0.321264 0.372757 0.172304 -0.075801 -0.588921 0.057095 0Rh 6px 0.073526 0.017039 -0.346324 0.034870 0.823464 -0.128549 0Rh 6py -0.092879 0.367043 -0.014038 -0.106567 0.123215 0.107120 0Rh 1dz2 -0.012917 0.009623 0.007646 -0.005277 0.016842 -0.059477 0Rh 1dxz -0.003867 0.008524 0.012020 -0.004724 -0.012943 -0.026922 0Rh 1dyz -0.020807 -0.003451 0.015312 -0.009857 -0.000752 0.029509 0Rh 1dx2y2 0.005842 -0.017410 0.011346 -0.001449 -0.010962 -0.041165 0Rh 1dxy 0.004798 -0.007955 0.013740 -0.013035 0.002784 -0.005807 0Rh 2dz2 0.004968 0.003502 -0.000570 0.001004 0.000397 -0.008560 0Rh 2dxz 0.001577 -0.003109 0.002888 -0.000366 -0.001137 -0.004070 0Rh 2dyz 0.010882 0.007585 -0.001695 0.002265 -0.003351 0.005171 0Rh 2dx2y2 -0.000634 0.002756 0.000655 -0.000103 -0.001633 -0.005773 0Rh 2dxy 0.006261 0.003648 -0.000353 -0.000811 -0.000828 -0.001271 0Rh 3dz2 0.020869 -0.049290 -0.023773 0.013480 -0.059762 0.244916 0Rh 3dxz 0.006105 -0.014934 -0.054445 0.018153 0.050034 0.111853 0Rh 3dyz 0.020311 -0.023630 -0.044751 0.023594 0.018020 -0.125601 0Rh 3dx2y2 -0.017107 0.046807 -0.041884 0.005585 0.045022 0.168761 0Rh 3dxy -0.045425 0.010463 -0.045395 0.048504 -0.005843 0.025944 0Rh 4dz2 0.048804 0.078512 0.014239 0.002354 0.049331 -0.282795 0Rh 4dxz 0.012552 -0.026317 0.070814 -0.020537 -0.052963 -0.130801 0Rh 4dyz 0.120680 0.112760 0.016449 0.005625 -0.049463 0.149918 0Rh 4dx2y2 0.004187 0.001674 0.037467 -0.007592 -0.049002 -0.192512 0Rh 4dxy 0.106593 0.034952 0.027575 -0.043481 -0.003564 -0.034794 0Rh 5dz2 -0.335387 -0.132685 -0.013263 -0.073042 0.043054 0.132926 0Rh 5dxz -0.083282 0.219628 -0.050731 0.031275 0.035770 0.057126 0Rh 5dyz -0.618793 -0.441180 0.030718 -0.076232 0.062228 -0.026978 0Rh 5dx2y2 0.095642 -0.267603 0.028927 0.036604 -0.043547 0.067216 0Rh 5dxy -0.249505 -0.195498 0.083217 -0.034831 0.003497 0.057696 0Rh 1f0 -0.009099 0.020722 -0.000081 -0.004333 0.001182 -0.006610 0Rh 1f+1 0.023216 -0.004301 -0.002182 0.005970 -0.006648 -0.001714 0Rh 1f-1 0.010664 -0.007603 0.006376 -0.003822 -0.004567 -0.010415 0Rh 1f+2 0.002935 -0.025330 0.002270 -0.000448 0.016094 -0.006760 0Rh 1f-2 0.019171 0.008583 -0.002473 0.005017 -0.007932 -0.013122 0Rh 1f+3 0.022190 -0.034099 0.004824 0.002781 0.001570 0.014130 0Rh 1f-3 0.006448 -0.013344 0.004524 -0.004832 0.008337 -0.005824 1Rh 1s 0.001685 -0.002610 -0.000175 -0.000088 0.000125 -0.000271 1Rh 2s -0.010245 0.017283 0.003495 0.002874 0.001894 0.001879 1Rh 3s 0.003835 -0.005090 0.001070 0.001209 0.001886 -0.000475 1Rh 4s 0.056042 -0.094386 -0.018800 -0.015513 -0.010224 -0.010228 1Rh 5s -0.107571 0.187590 0.047461 0.042035 0.035245 0.020265 1Rh 6s 0.034196 -0.088340 -0.068438 -0.073602 -0.092472 -0.008378 1Rh 7s 0.261919 -0.269655 0.181211 0.413495 0.895002 -0.102280 1Rh 8s -0.237874 0.304643 -0.006660 -0.041409 -0.133542 0.041221 1Rh 1pz -0.000211 0.004796 -0.000343 0.001902 0.000018 0.001070 1Rh 1px 0.002461 0.000280 0.001577 0.000167 -0.006722 0.002112 1Rh 1py -0.003351 0.002206 0.003082 -0.002094 -0.001622 -0.005989 1Rh 2pz 0.000859 -0.018615 0.001470 -0.007503 -0.000185 -0.004116 1Rh 2px -0.009368 -0.001351 -0.006106 -0.001058 0.024905 -0.007962 1Rh 2py 0.013146 -0.008552 -0.012058 0.007945 0.006176 0.022831 1Rh 3pz -0.003492 0.043383 -0.007073 0.019802 0.002293 0.008565 1Rh 3px 0.017376 0.008902 0.013065 0.011156 -0.030893 0.012964 1Rh 3py -0.034270 0.019578 0.029948 -0.013585 -0.011464 -0.042851 1Rh 4pz 0.012187 -0.039041 0.023561 -0.024547 -0.004565 -0.002823 1Rh 4px 0.003024 -0.028813 -0.003493 -0.042028 -0.081638 0.011840 1Rh 4py 0.047392 -0.015127 -0.032667 -0.011174 -0.002186 -0.007051 1Rh 5pz -0.038640 0.044259 -0.054190 0.028547 -0.014160 -0.001965 1Rh 5px -0.023873 0.048696 -0.001653 0.100418 0.257901 -0.048869 1Rh 5py -0.079562 0.008533 0.046741 0.047649 0.022722 0.069734 1Rh 6pz 0.312691 0.375285 0.203628 0.292941 0.526734 -0.052025 1Rh 6px 0.072444 0.015118 -0.391271 -0.460495 -0.686322 0.124292 1Rh 6py -0.091283 0.362590 -0.016380 -0.161082 -0.030269 -0.107712 1Rh 1dz2 0.011866 -0.009744 -0.005308 0.013317 0.011482 -0.059661 1Rh 1dxz 0.004079 -0.008736 -0.011888 -0.003991 -0.012540 -0.027159 1Rh 1dyz 0.021509 0.003570 -0.016073 0.007981 -0.006100 0.028945 1Rh 1dx2y2 -0.006171 0.017180 -0.010960 -0.006127 -0.009395 -0.041293 1Rh 1dxy -0.004842 0.008223 -0.013723 0.012516 -0.004995 -0.005811 1Rh 2dz2 -0.005308 -0.003663 0.000644 -0.000620 0.000935 -0.008354 1Rh 2dxz -0.001494 0.003075 -0.002855 -0.000420 -0.001073 -0.004084 1Rh 2dyz -0.011177 -0.007934 0.001053 -0.003484 -0.001518 0.005666 1Rh 2dx2y2 0.000535 -0.002844 -0.000631 -0.000932 -0.001280 -0.005737 1Rh 2dxy -0.006434 -0.003723 0.000152 0.000325 -0.001140 -0.001051 1Rh 3dz2 -0.015714 0.050442 0.015416 -0.042905 -0.043840 0.244598 1Rh 3dxz -0.007218 0.015818 0.053848 0.015647 0.048423 0.112732 1Rh 3dyz -0.021356 0.024824 0.050314 -0.011503 0.028045 -0.125958 1Rh 3dx2y2 0.018689 -0.045617 0.040439 0.025144 0.038122 0.169033 1Rh 3dxy 0.046372 -0.011036 0.046255 -0.044535 0.022333 0.024936 1Rh 4dz2 -0.056292 -0.081062 -0.007089 0.024188 0.044258 -0.280087 1Rh 4dxz -0.010748 0.025276 -0.070136 -0.015751 -0.052240 -0.131588 1Rh 4dyz -0.123128 -0.117365 -0.027399 -0.028058 -0.037767 0.156166 1Rh 4dx2y2 -0.006397 -0.003461 -0.036001 -0.025697 -0.041741 -0.192278 1Rh 4dxy -0.109164 -0.035272 -0.030258 0.036101 -0.027345 -0.031404 1Rh 5dz2 0.341168 0.134546 0.013852 0.085865 -0.008037 0.122356 1Rh 5dxz 0.079814 -0.218483 0.052346 -0.002999 0.048990 0.055945 1Rh 5dyz 0.624967 0.446967 -0.022395 0.095491 0.005977 -0.053359 1Rh 5dx2y2 -0.094827 0.268493 -0.031540 -0.055468 -0.018202 0.064885 1Rh 5dxy 0.253036 0.195606 -0.081363 0.028503 -0.016889 0.047179 1Rh 1f0 -0.009633 0.019808 -0.000839 -0.004304 0.001238 0.007018 1Rh 1f+1 0.024022 -0.003180 -0.000664 0.008495 0.002615 0.001266 1Rh 1f-1 0.009343 -0.007856 0.006377 -0.000308 0.006060 0.010765 1Rh 1f+2 0.003174 -0.026681 0.000397 -0.009433 -0.012484 0.006963 1Rh 1f-2 0.020872 0.009484 -0.000608 0.007494 0.004045 0.012087 1Rh 1f+3 0.021380 -0.033947 0.005109 0.001847 -0.002393 -0.014168 1Rh 1f-3 0.005507 -0.014265 0.003161 -0.008334 -0.003713 0.006177 2C 1s 0.010387 0.001048 0.004584 0.000120 -0.005024 0.000889 2C 2s 0.027981 0.004601 0.014751 -0.000064 -0.015909 0.002176 2C 3s 0.152282 -0.131528 -0.121300 0.037378 0.189508 0.015353 2C 4s -1.153718 0.347609 0.201318 -0.364142 -0.855793 -0.148215 2C 5s 0.874662 -1.919270 -0.467958 -0.685574 0.311982 0.150134 2C 1pz 0.026256 -0.028800 -0.027982 0.004831 0.035347 -0.020562 2C 1px 0.009440 -0.065067 -0.164356 0.058376 0.110123 -0.041560 2C 1py 0.019617 0.007318 0.069124 -0.034103 -0.011052 0.044403 2C 2pz 0.152536 0.194783 0.421944 -0.212878 -0.868199 -0.038877 2C 2px -0.685254 0.202098 0.125942 -0.029659 0.058085 0.070729 2C 2py 0.142480 0.026179 -0.103053 -0.107539 -0.508899 -0.031011 2C 3pz 0.040163 -0.355902 -0.225795 -0.159462 0.140336 0.010843 2C 3px -0.026375 -0.124565 0.067341 -0.078924 0.044482 0.019928 2C 3py -0.075451 -0.320696 -0.068796 -0.043163 0.077734 -0.030438 2C 1dz2 0.036806 0.043696 0.211323 -0.054198 -0.119941 0.043410 2C 1dxz 0.176505 0.050864 0.400741 -0.156268 -0.292213 0.086648 2C 1dyz 0.083979 -0.047406 -0.153876 0.039736 0.076353 -0.018874 2C 1dx2y2 -0.102151 -0.032844 -0.073830 0.030089 0.089285 0.008395 2C 1dxy 0.044242 -0.066949 -0.037611 0.038154 0.012256 -0.094315 2C 2dz2 0.091741 0.017014 -0.069795 -0.010185 -0.106433 0.003014 2C 2dxz -0.314864 -0.028290 -0.335681 0.013983 0.154544 0.022327 2C 2dyz -0.031513 0.103824 0.093875 -0.006237 -0.300419 -0.045999 2C 2dx2y2 -0.083848 0.100715 0.193314 -0.019541 0.047865 0.053298 2C 2dxy -0.278632 0.209800 0.321849 -0.113378 -0.133019 0.126577 2C 1f0 0.066064 -0.063630 -0.054971 0.024927 0.017242 -0.051340 2C 1f+1 0.146483 0.037201 0.154707 -0.061026 -0.221766 -0.035139 2C 1f-1 -0.208085 -0.019223 -0.203530 0.053423 0.129066 0.023700 2C 1f+2 -0.080902 0.014257 0.009445 -0.019935 0.050794 0.140848 2C 1f-2 -0.168069 0.078239 0.079973 -0.068072 -0.040688 0.117108 2C 1f+3 0.038729 0.011554 -0.070410 0.036971 -0.008733 -0.046832 2C 1f-3 0.001561 0.023178 0.228101 -0.134851 -0.138800 0.216361 3C 1s -0.001837 -0.010828 0.001771 0.003486 -0.005661 -0.001485 3C 2s -0.003946 -0.029422 0.003676 0.010877 -0.018716 -0.003111 3C 3s -0.118993 -0.084821 0.108828 -0.060286 0.256618 -0.078546 3C 4s 0.528759 1.035546 -0.472118 -0.140812 -0.933010 0.577839 3C 5s -1.071979 -0.101108 1.417893 -0.438285 1.502249 -0.321250 3C 1pz -0.028618 0.001888 0.036080 0.118670 -0.128472 -0.063043 3C 1px -0.029105 -0.019545 0.024443 -0.058856 0.109429 0.008227 3C 1py 0.014193 -0.004921 -0.001951 0.049400 -0.096507 -0.020165 3C 2pz 0.071147 -0.457634 0.052513 -0.244903 -0.391087 0.234054 3C 2px 0.266425 0.377716 -0.219217 0.003357 -0.219015 -0.048433 3C 2py -0.025432 0.071921 0.093418 -0.098233 0.943064 -0.232197 3C 3pz -0.233524 0.159768 0.078581 -0.123556 0.260705 0.036512 3C 3px 0.015627 0.061524 0.044441 0.021045 0.107495 -0.015574 3C 3py 0.149758 -0.120083 -0.296059 0.173637 -0.397596 0.032657 3C 1dz2 0.068522 0.002425 0.017230 -0.075919 0.101684 -0.045363 3C 1dxz 0.057111 -0.112230 -0.018936 0.049525 -0.124449 0.041770 3C 1dyz -0.008501 -0.012398 0.019228 0.217612 -0.307924 -0.048756 3C 1dx2y2 0.084329 0.063164 -0.077274 -0.268846 0.355838 0.109858 3C 1dxy 0.009259 0.145800 -0.062425 -0.120762 0.202005 0.022624 3C 2dz2 -0.046371 -0.187833 0.001397 -0.203019 0.232733 0.152321 3C 2dxz -0.096140 0.170710 0.019016 -0.067627 -0.021099 -0.022238 3C 2dyz -0.058981 0.225755 0.070677 -0.151239 0.535471 -0.114886 3C 2dx2y2 0.000369 0.115578 -0.022567 0.381969 -0.235339 -0.143805 3C 2dxy -0.129287 -0.285151 0.137492 0.135364 -0.022695 0.020505 3C 1f0 -0.036129 -0.143832 0.044974 0.145856 -0.171454 0.055184 3C 1f+1 -0.024852 0.140483 0.070095 0.177583 -0.216698 -0.260498 3C 1f-1 -0.002602 0.080245 0.003503 0.051386 -0.059282 -0.065087 3C 1f+2 -0.051691 -0.150882 0.048851 0.104778 -0.166931 0.007508 3C 1f-2 -0.003132 0.086441 0.028430 0.018410 0.092782 -0.185753 3C 1f+3 -0.027861 0.127340 0.025781 0.086433 -0.183706 -0.136699 3C 1f-3 -0.017793 0.263902 -0.001881 0.048459 0.035661 -0.165773 4C 1s 0.000488 0.000323 -0.003457 0.001500 -0.001457 0.000814 4C 2s 0.002257 -0.001266 -0.011423 0.003867 -0.001930 0.002282 4C 3s -0.484458 0.265608 0.024795 0.154858 0.107922 -0.060006 4C 4s 2.285606 -1.324181 0.529888 -1.034930 -0.551330 0.338686 4C 5s 0.894247 0.613246 0.865517 -0.457290 -0.965738 0.261513 4C 1pz -0.086287 -0.005013 -0.053171 0.019629 0.083555 0.050282 4C 1px 0.140958 -0.064723 -0.008987 0.023033 0.010306 -0.024433 4C 1py 0.006471 -0.044852 -0.116436 0.042708 0.081675 -0.062092 4C 2pz 0.775249 -0.086305 0.372896 -0.347277 -1.109840 -0.262786 4C 2px -1.526528 0.451182 0.148298 -0.268082 0.059744 0.185733 4C 2py -0.100106 0.152896 0.509982 -0.410606 -0.670829 0.337982 4C 3pz 0.660708 -1.692670 -0.067456 -0.816565 0.072943 0.163366 4C 3px 0.372609 0.121154 0.046065 -0.094722 -0.247520 0.115181 4C 3py 0.689184 -0.876753 -0.350244 -0.566865 0.066649 0.094740 4C 1dz2 -0.031240 -0.052445 -0.165079 0.048563 0.025141 -0.095452 4C 1dxz 0.110735 -0.006630 -0.153325 0.064155 0.004096 -0.052243 4C 1dyz -0.053959 0.047130 0.145775 -0.060331 -0.081288 0.050893 4C 1dx2y2 0.119865 -0.010552 0.012110 0.039344 -0.033510 -0.055697 4C 1dxy 0.113997 0.047041 0.102779 -0.007310 -0.087489 -0.000518 4C 2dz2 0.384271 0.003242 0.008207 0.304752 0.333563 -0.137913 4C 2dxz -1.605009 0.518542 0.378747 -0.101532 0.378877 0.282629 4C 2dyz 0.251739 -0.117629 -0.192983 0.135635 0.377307 0.030821 4C 2dx2y2 0.263221 -0.250431 0.148718 -0.409648 -0.412962 0.052163 4C 2dxy -0.720585 0.053190 0.183820 -0.298343 -0.003196 0.164734 4C 1f0 -0.101292 -0.032228 -0.169314 0.085526 0.123033 -0.064672 4C 1f+1 -0.088842 0.028879 -0.159720 0.047118 0.104777 0.117618 4C 1f-1 0.074339 -0.036928 -0.054281 0.036198 0.016126 -0.065559 4C 1f+2 0.411625 -0.087961 -0.064965 0.036397 -0.119840 -0.154598 4C 1f-2 -0.275399 0.086570 0.036576 -0.026767 -0.013038 -0.120577 4C 1f+3 0.307734 0.008798 0.164931 -0.048551 -0.152034 0.139445 4C 1f-3 0.111730 0.016767 -0.071044 0.141354 0.019163 -0.227438 5C 1s 0.000397 -0.001767 -0.000853 -0.003325 0.000409 -0.000939 5C 2s -0.000477 -0.004800 -0.000953 -0.010717 0.004163 -0.002546 5C 3s 0.242706 0.271588 -0.292641 0.066260 -0.072884 0.059438 5C 4s -1.217722 -1.140873 1.564426 0.291033 -0.073943 -0.335356 5C 5s 0.131533 -0.645505 0.234667 0.838057 -0.711248 -0.207186 5C 1pz 0.005977 0.079866 -0.012043 -0.072088 0.107702 0.024403 5C 1px 0.028564 -0.190345 -0.004686 -0.054412 0.074711 0.094666 5C 1py 0.030863 -0.051557 -0.016366 0.020271 -0.080586 0.083070 5C 2pz -0.096505 -0.660034 0.234313 0.142974 -0.723614 0.006127 5C 2px 0.078497 1.598803 -0.190323 0.277900 -0.502211 -0.565171 5C 2py -0.068620 0.415785 -0.051428 0.008133 1.014703 -0.630140 5C 3pz -0.142062 -0.079058 0.776770 -0.223020 0.970165 -0.078722 5C 3px -0.809741 0.013801 0.615909 -0.128706 0.391883 -0.127070 5C 3py 0.964723 -0.114390 -1.187338 0.050375 -1.295518 0.246218 5C 1dz2 -0.027433 0.154236 0.028439 0.032830 0.042720 -0.091156 5C 1dxz -0.070379 0.051090 0.037537 0.005065 0.013152 -0.040329 5C 1dyz -0.003309 -0.077247 0.007935 -0.136844 0.197217 0.040960 5C 1dx2y2 -0.085760 -0.045992 0.069070 0.171211 -0.179470 -0.084963 5C 1dxy 0.051603 0.065789 -0.024040 0.038459 0.017359 -0.031698 5C 2dz2 0.134131 -0.584247 -0.081700 -0.177498 0.077018 0.114693 5C 2dxz 0.308338 0.617162 -0.354392 0.230373 0.036331 -0.278867 5C 2dyz 0.196103 0.824257 -0.292802 0.197061 -0.542607 -0.097008 5C 2dx2y2 -0.021526 0.439356 0.113482 -0.140202 -0.309749 -0.104404 5C 2dxy -0.286564 -1.266790 0.312807 -0.409382 0.008560 0.598732 5C 1f0 0.098581 0.256571 -0.108924 -0.062905 0.135573 -0.023221 5C 1f+1 -0.006017 -0.085532 -0.080021 -0.029172 0.021309 0.312117 5C 1f-1 0.047224 0.164823 -0.095962 -0.111524 0.111540 0.154338 5C 1f+2 -0.113941 -0.198999 0.135332 0.075763 -0.109850 -0.219897 5C 1f-2 -0.025086 -0.463798 0.074503 -0.121995 0.058374 0.239101 5C 1f+3 0.016108 -0.074800 -0.015100 -0.104188 0.101406 0.039443 5C 1f-3 -0.068309 0.081235 0.015826 0.107284 -0.190605 0.118883 6C 1s -0.000347 0.001720 0.000867 0.002847 -0.001708 -0.000904 6C 2s 0.000677 0.004731 0.001145 0.010875 -0.003085 -0.002444 6C 3s -0.262402 -0.281551 0.277047 -0.085234 -0.032561 0.059214 6C 4s 1.292359 1.182564 -1.506639 -0.321128 0.182972 -0.336051 6C 5s -0.096448 0.678988 -0.211441 -1.133041 -0.065135 -0.213017 6C 1pz 0.005164 0.074880 -0.017224 -0.122338 -0.044976 -0.026148 6C 1px 0.025066 -0.186598 -0.006000 -0.086209 -0.026081 -0.092042 6C 1py 0.029776 -0.053075 -0.009502 0.065254 0.055042 -0.081479 6C 2pz -0.106216 -0.639140 0.273345 0.551973 0.496444 0.006512 6C 2px 0.102003 1.574144 -0.179619 0.509418 0.229770 0.537599 6C 2py -0.052008 0.425331 -0.122516 -0.603542 -0.827410 0.618633 6C 3pz -0.224055 -0.159670 0.653632 -0.703091 -0.698380 0.068883 6C 3px -0.860727 -0.037235 0.549325 -0.305015 -0.277785 0.136437 6C 3py 1.107346 0.007152 -0.990023 0.724977 1.094796 -0.241838 6C 1dz2 0.028114 -0.153649 -0.021427 -0.002485 0.056680 -0.091514 6C 1dxz 0.071457 -0.049756 -0.034301 0.001583 0.015254 -0.043160 6C 1dyz 0.009551 0.083773 0.002903 0.224038 0.078697 0.041331 6C 1dx2y2 0.078152 0.037217 -0.077512 -0.241275 -0.043031 -0.088020 6C 1dxy -0.053501 -0.067738 0.025605 -0.019772 0.036799 -0.028798 6C 2dz2 -0.139777 0.565235 0.071959 0.194827 -0.052691 0.108057 6C 2dxz -0.340613 -0.626362 0.356598 -0.146599 0.157219 -0.259541 6C 2dyz -0.220336 -0.827709 0.255835 -0.469012 -0.328738 -0.086802 6C 2dx2y2 0.046211 -0.407109 -0.116159 -0.084344 -0.314921 -0.087121 6C 2dxy 0.319149 1.260549 -0.327795 0.321698 -0.236959 0.569091 6C 1f0 0.100272 0.247441 -0.116573 -0.133236 -0.070635 0.017622 6C 1f+1 -0.004688 -0.085314 -0.070991 -0.035956 0.007910 -0.305772 6C 1f-1 0.044944 0.150195 -0.098479 -0.154033 -0.021214 -0.157841 6C 1f+2 -0.114781 -0.188346 0.134384 0.128052 0.038622 0.220491 6C 1f-2 -0.037072 -0.462129 0.076703 -0.126202 0.026998 -0.230771 6C 1f+3 0.014664 -0.075165 -0.017109 -0.142618 -0.018619 -0.037089 6C 1f-3 -0.068768 0.073602 0.027103 0.198934 0.090421 -0.118478 7C 1s -0.000455 -0.000363 0.003299 -0.002097 -0.000470 0.000812 7C 2s -0.002257 0.001102 0.010957 -0.004316 0.000120 0.002333 7C 3s 0.498715 -0.246124 0.008914 -0.072239 0.189359 -0.068196 7C 4s -2.338876 1.244686 -0.667746 0.569467 -1.068712 0.371936 7C 5s -0.915904 -0.657260 -0.956495 -0.152723 -1.036659 0.265109 7C 1pz -0.086984 -0.006516 -0.057752 -0.033986 -0.078409 -0.047714 7C 1px 0.134307 -0.063765 -0.008283 0.011508 -0.019668 0.019772 7C 1py 0.010010 -0.043681 -0.119161 -0.011438 -0.086614 0.060632 7C 2pz 0.786599 -0.065123 0.451502 0.374894 1.099453 0.240158 7C 2px -1.496725 0.436518 0.130294 -0.243489 0.080478 -0.141862 7C 2py -0.108152 0.157542 0.558411 0.055222 0.769657 -0.329640 7C 3pz 0.804989 -1.565217 0.104338 -0.795724 0.465449 -0.185488 7C 3px 0.400421 0.150097 0.090454 0.051758 0.259182 -0.128237 7C 3py 0.798139 -0.796908 -0.234750 -0.555887 0.321345 -0.113381 7C 1dz2 0.022851 0.048922 0.164134 -0.028260 0.041932 -0.096584 7C 1dxz -0.120344 0.001659 0.147145 -0.050795 0.031733 -0.047711 7C 1dyz 0.059538 -0.043540 -0.144733 0.001647 -0.093138 0.049482 7C 1dx2y2 -0.116226 0.012530 -0.006062 -0.055254 -0.001897 -0.056318 7C 1dxy -0.108473 -0.044605 -0.101227 -0.046078 -0.069856 0.000915 7C 2dz2 -0.360358 0.010058 0.027711 -0.049515 0.447304 -0.118464 7C 2dxz 1.621089 -0.481155 -0.309292 0.298250 0.290528 0.230984 7C 2dyz -0.253137 0.112006 0.207767 0.119819 0.376170 0.032362 7C 2dx2y2 -0.300979 0.221470 -0.220267 0.101538 -0.586291 0.062224 7C 2dxy 0.701985 -0.058398 -0.194265 0.244534 -0.165538 0.137828 7C 1f0 -0.098778 -0.032682 -0.173969 0.000588 -0.143131 0.064526 7C 1f+1 -0.087465 0.029766 -0.160757 -0.023382 -0.105279 -0.114652 7C 1f-1 0.075442 -0.036887 -0.056238 0.022002 -0.031479 0.061142 7C 1f+2 0.421576 -0.077537 -0.047886 0.101718 0.086063 0.143258 7C 1f-2 -0.260041 0.081768 0.029072 -0.008906 0.020165 0.127208 7C 1f+3 0.288263 0.011406 0.175057 0.042618 0.147734 -0.143769 7C 1f-3 0.111038 0.013532 -0.078863 0.107860 -0.095543 0.217609 8C 1s 0.001930 0.010575 -0.001913 -0.006178 -0.002514 -0.001480 8C 2s 0.004132 0.028701 -0.004291 -0.019877 -0.008764 -0.003125 8C 3s 0.123275 0.086098 -0.092161 0.199279 0.176423 -0.077563 8C 4s -0.534432 -1.011218 0.398058 -0.442061 -0.850809 0.570866 8C 5s 1.203397 0.200824 -1.226678 1.174563 1.037717 -0.309081 8C 1pz -0.025553 0.005811 0.040605 0.170203 0.032124 0.063500 8C 1px -0.030912 -0.019878 0.018858 -0.114441 -0.055430 -0.006973 8C 1py 0.016370 -0.001257 0.002259 0.094758 0.048633 0.020554 8C 2pz 0.052992 -0.465608 0.077365 0.041434 0.458663 -0.231023 8C 2px 0.276573 0.380192 -0.205677 0.126910 0.177060 0.038432 8C 2py -0.026228 0.061299 0.029734 -0.637479 -0.712898 0.225623 8C 3pz -0.254010 0.143443 0.052813 -0.244979 -0.145886 -0.035685 8C 3px 0.006761 0.052619 0.029638 -0.040014 -0.102842 0.012873 8C 3py 0.174985 -0.094928 -0.255106 0.362510 0.236669 -0.030136 8C 1dz2 -0.068993 0.000636 -0.010916 0.118128 0.037447 -0.043911 8C 1dxz -0.055272 0.112724 0.012743 -0.116197 -0.074185 0.044738 8C 1dyz 0.003335 0.004665 -0.031637 -0.356002 -0.119844 -0.049207 8C 1dx2y2 -0.077886 -0.053404 0.089845 0.421756 0.124804 0.110826 8C 1dxy -0.009645 -0.141183 0.072230 0.221692 0.092286 0.024713 8C 2dz2 0.061726 0.196879 0.009118 0.297863 0.069077 0.150836 8C 2dxz 0.098288 -0.167335 -0.020760 0.040249 -0.053373 -0.021848 8C 2dyz 0.067021 -0.209676 -0.035891 0.432152 0.349554 -0.111718 8C 2dx2y2 -0.015723 -0.125092 0.017403 -0.436222 0.036989 -0.139838 8C 2dxy 0.129667 0.278303 -0.137149 -0.127113 0.061541 0.012467 8C 1f0 -0.036132 -0.136872 0.053490 0.221923 0.052552 -0.048814 8C 1f+1 -0.021380 0.136934 0.074393 0.269704 0.065384 0.258386 8C 1f-1 -0.002029 0.080015 0.004846 0.077449 0.016278 0.067282 8C 1f+2 -0.051940 -0.151243 0.054808 0.182627 0.072758 -0.012192 8C 1f-2 -0.002720 0.080786 0.018725 -0.043273 -0.088889 0.180883 8C 1f+3 -0.024209 0.123183 0.032306 0.176621 0.095140 0.131737 8C 1f-3 -0.012398 0.260458 -0.006431 0.018120 -0.059661 0.165159 9C 1s -0.010062 -0.001177 -0.004748 -0.002951 -0.003845 0.000927 9C 2s -0.027036 -0.004902 -0.015216 -0.009058 -0.012405 0.002267 9C 3s -0.154513 0.128506 0.125253 0.083541 0.168670 0.017427 9C 4s 1.121833 -0.344327 -0.255614 -0.222997 -0.897877 -0.151431 9C 5s -1.002250 1.807591 0.323870 0.814214 -0.202545 0.168172 9C 1pz 0.030240 -0.026885 -0.026258 -0.015978 -0.027970 0.020104 9C 1px 0.014519 -0.063753 -0.166402 -0.016486 -0.116256 0.038729 9C 1py 0.014966 0.005068 0.065453 -0.023905 0.023047 -0.044248 9C 2pz 0.147417 0.196004 0.470443 0.341032 0.817701 0.032761 9C 2px -0.699398 0.187964 0.104113 -0.053525 -0.048586 -0.052055 9C 2py 0.147711 0.043326 -0.063491 0.221138 0.479838 0.030723 9C 3pz 0.072789 -0.332710 -0.198438 -0.224962 -0.005591 -0.015163 9C 3px -0.024738 -0.122609 0.068853 -0.093074 0.007797 -0.017803 9C 3py -0.050732 -0.306133 -0.046836 -0.091129 -0.028189 0.027035 9C 1dz2 -0.025926 -0.040669 -0.205137 -0.023185 -0.112992 0.041191 9C 1dxz -0.160391 -0.050339 -0.409776 -0.040313 -0.311732 0.085589 9C 1dyz -0.090895 0.043281 0.145764 0.011399 0.072431 -0.014626 9C 1dx2y2 0.104590 0.033610 0.078305 0.030027 0.089101 0.012628 9C 1dxy -0.050106 0.064961 0.035303 -0.026163 0.026614 -0.092102 9C 2dz2 -0.092351 -0.018904 0.050909 -0.055394 -0.101843 0.010317 9C 2dxz 0.291603 0.022302 0.327053 0.076098 0.117700 0.016955 9C 2dyz 0.040877 -0.100678 -0.094937 -0.178361 -0.238050 -0.048684 9C 2dx2y2 0.092631 -0.090084 -0.172119 0.043413 0.040892 0.045611 9C 2dxy 0.299036 -0.197279 -0.309193 0.016961 -0.149550 0.114993 9C 1f0 0.066905 -0.061147 -0.052032 0.010029 -0.024663 0.047044 9C 1f+1 0.144572 0.039806 0.163383 0.081186 0.208963 0.037439 9C 1f-1 -0.201884 -0.022297 -0.208397 -0.028714 -0.129291 -0.020744 9C 1f+2 -0.072771 0.012597 0.007461 -0.046452 -0.030559 -0.133106 9C 1f-2 -0.165045 0.076785 0.085356 -0.033726 0.070888 -0.116827 9C 1f+3 0.041607 0.012630 -0.073269 0.038515 -0.013343 0.054149 9C 1f-3 0.005333 0.021233 0.233551 -0.030709 0.182090 -0.208691 10H 1s -0.074708 -0.046533 -0.226007 0.065844 0.143006 -0.008934 10H 2s 0.683107 -0.023557 0.287033 -0.150750 -0.452460 0.064181 10H 3s -0.270590 0.117773 -0.152991 0.092083 0.130798 -0.057034 10H 1pz 0.311062 0.021078 0.209363 -0.073334 -0.253653 -0.010267 10H 1px -0.230511 -0.018857 -0.219604 0.082124 0.194130 -0.050766 10H 1py 0.059054 -0.012648 0.029882 -0.040767 -0.053534 0.078048 11H 1s 0.064216 0.065931 0.242315 -0.071124 -0.153988 0.052834 11H 2s 0.116223 0.049551 0.051915 0.128329 0.038919 -0.066020 11H 3s -0.086510 0.122926 0.074296 -0.042676 -0.018583 0.029677 11H 1pz -0.087587 -0.023936 -0.136053 0.068065 0.164753 0.020609 11H 1px 0.155101 -0.020285 -0.043298 0.083548 0.004893 -0.133746 11H 1py -0.073770 0.017742 0.043418 -0.028587 0.001858 0.004598 12H 1s 0.054843 -0.032799 -0.064385 0.031860 0.012736 -0.031434 12H 2s 0.300981 -0.029353 -0.120034 0.043809 -0.012841 0.071031 12H 3s -0.172194 0.083381 0.037285 0.063265 0.011824 -0.063977 12H 1pz -0.079727 -0.044177 -0.132129 0.040856 0.084668 -0.033893 12H 1px 0.071345 0.056545 0.218172 -0.087890 -0.132017 0.150539 12H 1py 0.132585 -0.048006 -0.147158 0.055255 0.057105 -0.006834 13H 1s -0.019153 0.076227 0.000988 -0.155410 0.224549 -0.013090 13H 2s -0.218662 -0.502730 0.210528 0.126016 -0.383853 -0.049247 13H 3s 0.082179 0.211635 -0.156733 -0.090090 0.113187 0.075035 13H 1pz -0.059414 -0.104991 0.073504 0.082494 -0.174160 -0.110247 13H 1px 0.031508 0.210241 -0.042435 -0.143383 0.235590 -0.011874 13H 1py 0.071097 0.228493 -0.067506 -0.092176 0.218947 -0.051213 14H 1s 0.050536 -0.063682 -0.018961 -0.089994 0.082202 0.035100 14H 2s -0.025549 -0.371443 0.067451 -0.059290 0.026645 -0.080278 14H 3s 0.066005 0.140382 -0.148842 0.009457 -0.029095 0.088172 14H 1pz -0.014946 -0.127896 -0.001261 -0.181288 0.229503 0.104901 14H 1px -0.043513 -0.141171 0.083722 0.127698 -0.170147 -0.152537 14H 1py -0.039010 -0.043061 0.028530 0.041967 -0.061998 0.009733 15H 1s -0.011789 -0.083706 0.040481 0.206337 -0.292353 -0.054410 15H 2s -0.107743 -0.165597 -0.056320 0.045451 0.002896 0.020107 15H 3s 0.108642 0.054793 -0.030521 0.067582 -0.117934 -0.011154 15H 1pz 0.006106 0.156750 0.021546 0.045171 -0.021690 -0.076992 15H 1px 0.019938 -0.157269 -0.033165 -0.031307 0.011533 0.147038 15H 1py 0.043652 -0.053816 0.017084 0.103957 -0.209323 0.037518 16H 1s 0.018707 0.053129 0.017945 0.003162 -0.006783 0.008176 16H 2s 0.113762 0.039384 -0.063784 -0.005540 0.108094 -0.055509 16H 3s -0.059369 0.032206 0.035890 0.020002 -0.030961 -0.008371 16H 1pz 0.065976 0.062478 -0.019934 -0.004214 0.034593 -0.013870 16H 1px -0.012614 0.014116 0.008265 -0.014912 0.003119 0.004398 16H 1py 0.031016 0.025585 -0.001044 0.010617 -0.004144 0.002036 17H 1s -0.036598 0.002019 0.010972 -0.024788 0.024443 0.012686 17H 2s -0.055741 -0.010263 -0.051186 -0.120171 0.111145 -0.051327 17H 3s 0.000530 0.017530 0.025743 0.020718 -0.023376 -0.008343 17H 1pz 0.024634 -0.009178 -0.003866 0.044539 -0.040369 0.008930 17H 1px 0.031085 0.027240 -0.004660 0.036160 -0.034661 0.012387 17H 1py -0.044756 -0.011199 0.002432 -0.036717 0.024110 0.001694 18H 1s 0.037136 -0.002227 -0.009354 0.033986 0.005978 0.011275 18H 2s 0.061164 0.006871 0.061296 0.161315 0.022552 -0.056532 18H 3s -0.005363 -0.017666 -0.029512 -0.027548 -0.006064 -0.007113 18H 1pz 0.026606 -0.010009 0.000044 0.060131 0.008495 -0.010782 18H 1px 0.032680 0.027242 -0.001282 0.049125 0.008050 -0.014852 18H 1py -0.046447 -0.011390 0.000158 -0.041312 0.001340 0.000565 19H 1s -0.018572 -0.053375 -0.018298 -0.006450 -0.002997 0.008529 19H 2s -0.117087 -0.044428 0.069703 0.071628 0.087587 -0.046626 19H 3s 0.063421 -0.029606 -0.035775 -0.035725 -0.011945 -0.010602 19H 1pz 0.067065 0.065225 -0.020968 -0.025101 -0.026314 0.009788 19H 1px -0.012636 0.014100 0.007960 -0.013628 0.006028 -0.003573 19H 1py 0.032589 0.027095 -0.000626 0.009480 -0.004165 -0.003500 20H 1s 0.005211 0.073844 -0.054149 -0.334756 -0.113584 -0.055018 20H 2s 0.105238 0.154207 0.052539 -0.031062 0.023388 0.019640 20H 3s -0.118697 -0.058136 0.019274 -0.120801 -0.057698 -0.012228 20H 1pz 0.009794 0.155542 0.019697 0.048688 -0.011545 0.075952 20H 1px 0.017947 -0.154382 -0.030051 -0.029644 0.013680 -0.145477 20H 1py 0.044290 -0.053886 0.026578 0.208287 0.107262 -0.036850 21H 1s -0.047248 0.066136 0.021622 0.116371 0.010656 0.036200 21H 2s 0.031610 0.365723 -0.060196 0.064425 -0.008741 -0.080489 21H 3s -0.071312 -0.140017 0.139545 -0.023420 -0.025606 0.087036 21H 1pz -0.021580 -0.128574 -0.010800 -0.280969 -0.078737 -0.102721 21H 1px -0.040903 -0.133186 0.087141 0.201181 0.057913 0.153177 21H 1py -0.038182 -0.041168 0.032608 0.073276 0.026228 -0.006898 22H 1s 0.022046 -0.072633 0.010192 0.259104 0.091747 -0.011851 22H 2s 0.232413 0.502251 -0.223002 -0.337737 -0.231211 -0.050611 22H 3s -0.088243 -0.211870 0.153673 0.144693 0.033013 0.073734 22H 1pz -0.062594 -0.105625 0.077494 0.172661 0.089390 0.108780 22H 1px 0.031416 0.202574 -0.053435 -0.254961 -0.106008 0.010559 22H 1py 0.073820 0.224650 -0.078545 -0.207115 -0.122934 0.048853 23H 1s -0.058915 0.029110 0.057410 -0.021346 0.020552 -0.030640 23H 2s -0.291326 0.021185 0.119320 -0.041830 0.015509 0.074420 23H 3s 0.171351 -0.076632 -0.031668 -0.049632 0.046996 -0.064227 23H 1pz -0.075443 -0.043380 -0.136753 -0.014602 -0.089279 0.035766 23H 1px 0.059613 0.054039 0.218728 0.002354 0.146049 -0.146792 23H 1py 0.128435 -0.043766 -0.147624 0.010648 -0.074780 0.001957 24H 1s -0.050406 -0.060496 -0.237722 -0.030433 -0.151717 0.050161 24H 2s -0.103639 -0.044349 -0.038474 -0.081260 0.108893 -0.064774 24H 3s 0.093708 -0.116052 -0.066440 0.020365 -0.033296 0.028224 24H 1pz -0.085700 -0.026222 -0.141876 -0.041871 -0.166746 -0.020904 24H 1px 0.153734 -0.018267 -0.044162 0.068317 -0.047996 0.130038 24H 1py -0.075330 0.016104 0.042038 -0.023892 0.012236 -0.002655 25H 1s 0.067948 0.045046 0.227443 0.029839 0.145323 -0.008580 25H 2s -0.684097 0.008105 -0.324904 -0.136661 -0.454639 0.070526 25H 3s 0.269243 -0.111933 0.166229 -0.002976 0.156671 -0.057235 25H 1pz 0.306025 0.025652 0.223058 0.087030 0.243669 0.007494 25H 1px -0.223776 -0.021362 -0.228509 -0.044571 -0.198267 0.050825 25H 1py 0.064058 -0.008929 0.039560 -0.003182 0.069417 -0.077219 26O 1s 0.022791 -0.002212 0.007603 -0.003786 -0.010983 0.006676 26O 2s 0.080564 -0.009075 0.021302 -0.010100 -0.034254 0.021779 26O 3s -0.701884 0.090711 -0.066505 -0.008148 0.194997 -0.130022 26O 4s 1.855476 -0.319719 -0.205538 0.398621 -0.076572 0.055604 26O 5s -1.142543 0.918369 -0.402133 0.986223 0.687685 -0.594597 26O 1pz -0.241793 0.139128 0.146040 -0.037313 -0.037073 0.008589 26O 1px -0.034579 0.071423 0.050619 -0.016476 -0.077801 -0.002567 26O 1py -0.121513 0.099165 0.146085 -0.036409 -0.066721 0.075934 26O 2pz 0.562132 -0.368114 -0.322365 0.039120 0.065215 0.015415 26O 2px -0.291295 -0.125571 0.201542 -0.313651 -0.024934 0.188437 26O 2py 0.114482 -0.239463 -0.233083 -0.067187 0.080028 -0.156866 26O 3pz 0.102875 0.632227 0.239087 0.035036 -0.362333 -0.006128 26O 3px 0.336391 0.155403 0.272851 -0.328566 -0.601483 0.211693 26O 3py 0.238563 0.393252 0.329365 -0.068328 -0.481309 0.058301 26O 1dz2 0.003684 -0.000234 -0.009385 0.002319 0.002146 -0.001851 26O 1dxz -0.004538 0.001775 0.005459 -0.000040 -0.000097 0.007669 26O 1dyz 0.000115 0.002348 0.008404 -0.000328 -0.006795 0.000741 26O 1dx2y2 0.002742 0.003475 0.017280 -0.010790 -0.010491 0.011060 26O 1dxy -0.001052 0.002244 0.004049 -0.002761 -0.006610 -0.004535 26O 2dz2 0.054451 0.055785 0.094833 -0.041719 -0.092518 -0.007878 26O 2dxz -0.123638 0.098961 0.030281 0.022417 0.000741 -0.042617 26O 2dyz 0.040706 0.088962 0.069587 -0.002901 -0.075133 -0.001579 26O 2dx2y2 -0.022557 -0.070843 -0.158339 0.078988 0.080357 -0.143457 26O 2dxy -0.007697 0.047148 0.028733 0.013867 -0.008072 0.086261 26O 1f0 0.009726 -0.006232 0.004696 0.002581 0.000855 -0.004609 26O 1f+1 0.015722 0.008990 0.014521 0.006375 -0.010808 -0.016130 26O 1f-1 0.028040 -0.006314 0.003213 0.004828 -0.003245 -0.017190 26O 1f+2 -0.033147 0.009645 -0.018217 0.009371 0.012423 -0.016221 26O 1f-2 0.015715 -0.002158 -0.010017 0.000283 -0.009979 -0.003974 26O 1f+3 -0.005557 0.011907 0.015820 -0.003902 -0.001035 0.022597 26O 1f-3 0.016427 -0.004389 -0.034961 0.020883 0.022205 -0.007820 27O 1s -0.024509 -0.005500 0.018635 0.006505 -0.007225 -0.008039 27O 2s -0.085402 -0.022051 0.064670 0.019195 -0.018543 -0.025936 27O 3s 0.664460 0.293828 -0.498844 -0.081231 0.024578 0.138841 27O 4s -1.300537 -1.294684 1.008977 -0.052790 0.404829 0.050021 27O 5s 1.866455 -0.332767 -1.780372 -0.358510 -0.162168 0.619385 27O 1pz 0.048541 0.059862 -0.046257 0.111232 -0.105818 -0.102184 27O 1px 0.033292 0.062631 -0.039566 0.065009 -0.170777 -0.057764 27O 1py -0.139706 -0.207050 0.117037 -0.127269 0.152896 0.022238 27O 2pz -0.103654 -0.154756 0.098776 -0.307783 0.310896 0.323521 27O 2px -0.103371 0.471015 0.124324 0.084160 0.047304 -0.137345 27O 2py 0.351283 0.398491 -0.316313 0.267668 -0.305423 0.034154 27O 3pz 0.047626 -0.222363 -0.241564 0.104466 -0.325366 0.032102 27O 3px -0.403121 0.004755 0.424337 0.185819 -0.617796 -0.184758 27O 3py -0.136087 0.171221 0.164418 -0.124640 0.589604 -0.044994 27O 1dz2 -0.002987 -0.001197 -0.002403 -0.004216 0.009381 0.003018 27O 1dxz 0.009139 -0.000388 -0.005322 -0.007483 0.009792 0.011788 27O 1dyz -0.004096 0.003951 0.004642 -0.000297 0.007979 -0.006154 27O 1dx2y2 -0.006143 0.009046 0.001218 0.009083 -0.014067 -0.003795 27O 1dxy -0.001222 -0.001287 -0.001265 -0.009714 0.013140 0.011349 27O 2dz2 -0.030697 0.021434 0.032547 0.017279 -0.011401 -0.028152 27O 2dxz -0.051543 -0.004207 0.062657 0.141826 -0.131400 -0.216115 27O 2dyz 0.034248 0.098128 -0.013809 -0.035917 0.099985 0.027412 27O 2dx2y2 0.047672 -0.050745 -0.015751 -0.085610 0.139338 -0.024425 27O 2dxy -0.042449 -0.126270 0.085949 -0.027373 0.019501 -0.054450 27O 1f0 0.005461 0.006090 -0.003210 -0.008061 0.002774 0.010623 27O 1f+1 0.007232 -0.023265 -0.001079 -0.024011 0.033542 -0.001191 27O 1f-1 0.001752 0.009778 -0.007187 -0.010080 0.005269 0.017974 27O 1f+2 -0.011490 0.031546 0.003999 0.014703 -0.012207 -0.028050 27O 1f-2 0.006020 0.031275 -0.010708 -0.005724 0.014686 0.006682 27O 1f+3 -0.000546 -0.023874 -0.008548 -0.003430 -0.000851 0.036876 27O 1f-3 0.005271 0.025365 -0.003380 -0.012045 0.008646 -0.005159 28O 1s 0.006951 -0.021296 0.017223 -0.013107 -0.005550 0.000536 28O 2s 0.014789 -0.072828 0.058453 -0.045628 -0.015951 0.003267 28O 3s 0.174216 0.513863 -0.421401 0.349316 0.017585 -0.065734 28O 4s -1.641159 -0.698680 0.842307 -0.708162 0.416478 0.363686 28O 5s -1.865473 2.318141 -0.930256 1.391160 0.706640 -0.225402 28O 1pz 0.146626 0.087711 -0.031822 0.104438 -0.003824 -0.099193 28O 1px -0.083300 -0.007153 -0.070715 0.023786 0.086059 -0.016570 28O 1py 0.101200 0.039531 -0.013039 0.060564 0.014226 0.035545 28O 2pz 0.480526 -0.421286 0.131525 -0.303080 -0.287975 0.174237 28O 2px -0.762956 0.244104 0.079742 -0.041803 0.115695 0.190551 28O 2py -0.138303 -0.119647 0.060535 -0.160103 -0.099050 -0.152999 28O 3pz 0.064170 0.049038 0.083490 -0.203891 -0.325504 -0.043299 28O 3px -0.624898 0.482622 -0.257121 0.418928 0.380601 -0.052250 28O 3py -0.176829 0.170287 0.047980 0.090611 -0.126578 -0.033402 28O 1dz2 0.002265 0.004728 -0.001579 -0.000365 0.001493 0.005036 28O 1dxz -0.022708 0.005807 -0.011675 0.002325 0.012663 0.001582 28O 1dyz -0.002798 0.006543 -0.004178 0.003349 -0.000953 -0.006576 28O 1dx2y2 0.013826 -0.005486 0.001089 -0.001515 -0.004320 -0.004857 28O 1dxy -0.005483 -0.002131 -0.005002 0.001098 0.002573 0.007743 28O 2dz2 -0.123663 0.002857 -0.065536 0.084981 0.086512 -0.157521 28O 2dxz 0.162088 -0.078360 0.086927 -0.075398 -0.090964 0.033747 28O 2dyz -0.069235 -0.014164 -0.056814 0.009575 0.057303 0.081654 28O 2dx2y2 -0.057505 0.051507 -0.035054 -0.002757 -0.006212 0.044311 28O 2dxy -0.041102 0.003647 0.035710 -0.007591 -0.070928 -0.111067 28O 1f0 -0.037817 0.001090 -0.017555 0.009262 0.017121 -0.022427 28O 1f+1 -0.021382 0.005049 0.006705 -0.006787 0.003668 0.021414 28O 1f-1 -0.010437 -0.003738 -0.016301 0.000753 0.008352 0.007707 28O 1f+2 0.061133 -0.010083 0.002417 0.000483 -0.021843 -0.014423 28O 1f-2 -0.005283 0.007190 -0.000864 0.003355 -0.002472 -0.015572 28O 1f+3 0.030696 -0.000961 0.018594 -0.007627 -0.021646 -0.000049 28O 1f-3 0.003471 -0.005343 -0.009944 0.001546 -0.000238 -0.006543 29O 1s -0.004538 0.003941 -0.004220 -0.000650 0.000683 -0.001891 29O 2s -0.015622 0.012572 -0.014886 -0.001400 0.002275 -0.006517 29O 3s 0.120031 -0.078245 0.116041 -0.007274 -0.012172 0.047478 29O 4s -0.194850 0.084685 -0.223530 0.051527 0.107937 -0.090485 29O 5s 0.072496 -0.032436 0.302513 0.013864 -0.620867 0.181152 29O 1pz -0.009720 -0.043454 0.017325 0.004368 0.013413 0.000198 29O 1px -0.054414 0.067190 -0.017741 -0.033280 -0.017305 0.003273 29O 1py -0.000922 0.008704 0.005176 0.000947 -0.022064 0.004229 29O 2pz 0.106336 0.145965 -0.060204 0.023550 -0.025969 -0.004734 29O 2px 0.129505 -0.119537 0.039843 0.101034 -0.007731 0.003116 29O 2py -0.001360 -0.001491 -0.014951 -0.030637 0.080637 -0.017947 29O 3pz -0.009111 -0.070193 0.087150 0.033891 -0.034706 -0.001323 29O 3px -0.044095 0.007061 -0.090979 0.003801 0.176459 -0.019111 29O 3py 0.034273 -0.002915 -0.029021 -0.034371 0.059719 -0.038507 29O 1dz2 0.003909 -0.001414 0.000865 0.000127 0.000866 -0.001060 29O 1dxz 0.001517 0.001533 -0.002608 -0.000886 0.001751 -0.000583 29O 1dyz 0.007671 0.004077 -0.004342 0.001173 -0.001871 0.000579 29O 1dx2y2 -0.000327 0.005265 0.000466 -0.001026 -0.001915 -0.000646 29O 1dxy -0.002143 0.006177 -0.001913 0.002277 -0.000670 0.000309 29O 2dz2 -0.022968 -0.044858 0.006247 -0.006206 0.002206 -0.000482 29O 2dxz 0.045050 0.017126 -0.005924 0.028338 -0.010398 -0.000548 29O 2dyz -0.037436 -0.037084 -0.002916 -0.022774 0.004989 0.003016 29O 2dx2y2 0.005340 0.031079 -0.001426 -0.003607 -0.013812 -0.005304 29O 2dxy -0.036714 0.030367 -0.000575 -0.031190 0.025363 -0.000846 29O 1f0 -0.004146 -0.003800 -0.002894 -0.001177 0.001223 -0.001326 29O 1f+1 -0.001113 -0.003922 0.003509 -0.002374 -0.000756 0.000692 29O 1f-1 -0.001113 -0.007918 -0.002163 -0.000378 -0.000399 -0.001689 29O 1f+2 0.002143 0.000335 -0.000524 -0.000579 -0.000405 0.000482 29O 1f-2 0.010313 0.001030 -0.000812 0.002657 -0.004265 -0.001355 29O 1f+3 0.002757 -0.007021 0.002037 -0.001746 0.001727 0.001086 29O 1f-3 -0.000504 -0.002976 0.000849 -0.003616 0.001142 0.001024 30O 1s 0.005751 -0.011355 0.002569 0.011891 -0.006650 0.001803 30O 2s 0.021670 -0.030720 0.006999 0.041415 -0.019896 0.003061 30O 3s -0.228936 -0.016471 0.020139 -0.336192 0.087294 0.072029 30O 4s 0.682854 1.207904 -0.355476 0.879252 -0.012867 -0.658530 30O 5s 0.444568 1.439035 -1.244623 -0.598062 -0.185356 0.056363 30O 1pz -0.016254 -0.194975 0.018182 0.013289 -0.055633 -0.025245 30O 1px -0.025319 0.027769 0.020466 -0.011305 0.107389 -0.037262 30O 1py -0.026706 0.175594 0.044235 0.029286 0.010165 -0.150897 30O 2pz -0.114005 -0.033495 0.130895 -0.063784 0.024500 0.323753 30O 2px 0.236565 0.730411 -0.299687 0.084701 -0.126658 -0.175599 30O 2py 0.233616 0.158322 -0.331270 -0.016385 0.067178 0.199072 30O 3pz 0.145883 -0.231162 -0.042090 0.100023 -0.386237 0.098682 30O 3px 0.115907 0.494977 -0.282396 -0.078933 0.133895 -0.045356 30O 3py -0.457830 0.077358 0.109109 -0.020276 0.407864 -0.131433 30O 1dz2 -0.000268 0.003862 -0.005054 0.003293 -0.001853 0.008899 30O 1dxz -0.001133 0.016447 -0.002981 -0.000969 0.008648 -0.014154 30O 1dyz 0.003035 0.006846 0.002177 0.000339 0.005335 -0.007882 30O 1dx2y2 -0.000627 -0.004899 0.002517 -0.000009 -0.001997 0.005162 30O 1dxy -0.003632 -0.020372 0.005153 0.007788 -0.010096 0.000681 30O 2dz2 -0.007844 -0.148139 0.078695 0.025518 0.006331 -0.167414 30O 2dxz 0.002208 -0.031350 -0.005983 0.037199 -0.047644 0.134811 30O 2dyz -0.077189 -0.067415 0.055000 0.041713 -0.083596 0.036000 30O 2dx2y2 -0.089688 0.053513 0.059569 0.007855 -0.072952 -0.111741 30O 2dxy 0.002283 0.110026 -0.095021 -0.038790 0.091088 0.108654 30O 1f0 0.014266 0.011804 -0.010022 -0.000363 0.008213 -0.011207 30O 1f+1 -0.000813 -0.001879 -0.001747 -0.006816 0.002206 0.013388 30O 1f-1 0.006710 0.004864 -0.013147 -0.006377 0.004752 0.031948 30O 1f+2 -0.011441 -0.028810 0.011240 0.018090 -0.029690 0.000090 30O 1f-2 -0.005662 -0.048584 0.007820 -0.013628 0.003315 0.018600 30O 1f+3 -0.011609 0.011682 0.012491 0.002486 -0.003496 -0.029601 30O 1f-3 -0.011400 -0.041911 0.012680 0.001942 -0.012727 0.009564 31O 1s -0.004979 0.011360 -0.002295 -0.014104 0.001793 0.002049 31O 2s -0.019066 0.030934 -0.005723 -0.047181 0.008900 0.004083 31O 3s 0.213696 0.011531 -0.036256 0.336189 -0.131726 0.058979 31O 4s -0.683764 -1.187685 0.408650 -0.728357 0.516054 -0.608637 31O 5s -0.578373 -1.516057 1.120857 0.461807 -0.563950 0.052909 31O 1pz -0.013973 -0.184238 0.023857 0.041374 0.038809 0.028877 31O 1px -0.026374 0.025619 0.010855 -0.073270 -0.082139 0.038060 31O 1py -0.030913 0.169846 0.035741 0.020840 -0.031174 0.144802 31O 2pz -0.133173 -0.057329 0.127568 -0.053551 0.012599 -0.321601 31O 2px 0.256197 0.727660 -0.288808 0.135860 0.058769 0.158344 31O 2py 0.259519 0.168320 -0.316637 -0.069445 -0.026644 -0.195156 31O 3pz 0.141386 -0.222700 -0.021195 0.308657 0.254293 -0.102454 31O 3px 0.148075 0.511565 -0.266989 -0.165056 -0.047605 0.044491 31O 3py -0.463392 0.067876 0.078993 -0.253695 -0.323900 0.136952 31O 1dz2 0.000153 -0.003436 0.004866 -0.003803 0.000206 0.008941 31O 1dxz 0.000899 -0.016176 0.003839 0.006040 0.006506 -0.013893 31O 1dyz -0.002935 -0.006579 -0.001575 0.002699 0.004662 -0.007609 31O 1dx2y2 0.000667 0.004866 -0.002799 -0.001275 -0.001666 0.005108 31O 1dxy 0.003816 0.019633 -0.005629 -0.012456 -0.003513 0.000437 31O 2dz2 0.009063 0.140492 -0.072914 -0.017569 0.024099 -0.168038 31O 2dxz -0.001154 0.033881 0.001105 -0.058437 -0.018179 0.133839 31O 2dyz 0.078639 0.069275 -0.059822 -0.085253 -0.041742 0.034632 31O 2dx2y2 0.088676 -0.052806 -0.061602 -0.050595 -0.050947 -0.110145 31O 2dxy -0.004462 -0.106000 0.096190 0.085512 0.046395 0.107620 31O 1f0 0.014916 0.012392 -0.010477 -0.005203 -0.006113 0.010856 31O 1f+1 -0.000901 -0.002566 -0.001545 -0.006870 0.002346 -0.013684 31O 1f-1 0.006790 0.003800 -0.012408 -0.007920 0.000699 -0.031927 31O 1f+2 -0.011325 -0.027677 0.012768 0.032279 0.013281 0.000521 31O 1f-2 -0.007022 -0.048465 0.008046 -0.012038 0.005597 -0.017611 31O 1f+3 -0.011442 0.011344 0.011821 0.003982 0.000515 0.029024 31O 1f-3 -0.012089 -0.041283 0.013477 0.009878 0.009084 -0.008883 32O 1s 0.004553 -0.003935 0.004247 0.001040 0.000266 -0.001862 32O 2s 0.015663 -0.012511 0.014959 0.002864 0.001299 -0.006410 32O 3s -0.120147 0.076876 -0.115988 -0.004419 -0.015312 0.046641 32O 4s 0.194914 -0.080708 0.227971 0.028173 0.117919 -0.088470 32O 5s -0.073776 0.034085 -0.338921 -0.384982 -0.499026 0.175753 32O 1pz -0.010850 -0.044285 0.015577 -0.004095 -0.013457 0.001021 32O 1px -0.055159 0.068215 -0.017368 -0.016691 0.031779 -0.002423 32O 1py -0.001729 0.007917 0.006933 0.013212 0.017211 -0.004323 32O 2pz 0.111407 0.149367 -0.054476 0.033395 0.008239 -0.003411 32O 2px 0.132018 -0.122568 0.042785 0.085907 -0.048149 -0.006487 32O 2py 0.001832 0.002811 -0.021583 -0.070018 -0.048719 0.018258 32O 3pz -0.009916 -0.073058 0.086773 0.048841 0.004952 -0.000667 32O 3px -0.045342 0.006678 -0.101338 -0.101742 -0.145575 0.017320 32O 3py 0.033895 -0.001145 -0.032516 -0.064054 -0.031574 0.037487 32O 1dz2 -0.003989 0.001310 -0.000955 0.000437 0.000834 -0.000892 32O 1dxz -0.001477 -0.001489 0.002667 0.001624 0.000745 -0.000675 32O 1dyz -0.007940 -0.004386 0.003946 -0.001912 -0.001021 0.000864 32O 1dx2y2 0.000285 -0.005205 -0.000575 -0.000325 -0.002069 -0.000703 32O 1dxy 0.002025 -0.006291 0.001757 -0.002152 0.000675 0.000394 32O 2dz2 0.020451 0.043369 -0.005714 0.004337 -0.002060 -0.001940 32O 2dxz -0.047970 -0.017529 0.004574 -0.030000 0.006991 0.001265 32O 2dyz 0.039593 0.038634 0.003625 0.020529 -0.009873 -0.000046 32O 2dx2y2 -0.007629 -0.032269 0.000776 -0.006205 -0.012678 -0.004814 32O 2dxy 0.036008 -0.032163 0.002677 0.038935 0.003290 -0.002197 32O 1f0 -0.004284 -0.003506 -0.002810 -0.001704 -0.000192 0.001344 32O 1f+1 -0.001276 -0.003783 0.003576 -0.001563 0.001909 -0.000658 32O 1f-1 -0.001107 -0.008069 -0.002347 -0.000122 0.000623 0.001784 32O 1f+2 0.001864 0.000667 -0.000489 -0.000179 0.000760 -0.000502 32O 1f-2 0.010419 0.001236 -0.000405 0.004560 0.002032 0.000961 32O 1f+3 0.002927 -0.006907 0.001980 -0.002320 -0.000311 -0.001065 32O 1f-3 -0.000574 -0.003153 0.000768 -0.003503 0.001125 -0.000830 33O 1s -0.006749 0.020777 -0.018235 0.008024 -0.011728 0.000525 33O 2s -0.014254 0.071096 -0.061772 0.029922 -0.038074 0.002993 33O 3s -0.176327 -0.504883 0.437385 -0.289793 0.204095 -0.055973 33O 4s 1.643254 0.706015 -0.820693 0.847856 -0.025950 0.305994 33O 5s 1.946336 -2.204444 1.128218 -0.808513 1.400900 -0.264012 33O 1pz 0.139434 0.082839 -0.041113 0.091412 -0.057622 0.092823 33O 1px -0.076523 -0.007216 -0.074162 -0.032469 -0.082201 0.016811 33O 1py 0.092129 0.038578 -0.017299 0.039786 -0.047195 -0.038226 33O 2pz 0.496245 -0.391490 0.189831 -0.094147 0.420299 -0.181100 33O 2px -0.776500 0.228234 0.054261 -0.094574 -0.083510 -0.164643 33O 2py -0.112145 -0.114847 0.076580 -0.069700 0.175274 0.155730 33O 3pz 0.058623 0.050872 0.100738 0.029399 0.383106 0.048961 33O 3px -0.637527 0.454968 -0.315124 0.135463 -0.557168 0.063731 33O 3py -0.190805 0.161812 0.038517 0.155636 0.044679 0.042029 33O 1dz2 -0.001970 -0.004863 0.001517 0.001368 0.000885 0.005078 33O 1dxz 0.021856 -0.005570 0.012320 0.005354 0.011285 0.001057 33O 1dyz 0.002490 -0.006382 0.004537 -0.003516 0.001269 -0.006473 33O 1dx2y2 -0.013556 0.005326 -0.001414 -0.001348 -0.004511 -0.004491 33O 1dxy 0.005601 0.002089 0.004882 0.000661 0.002467 0.007631 33O 2dz2 0.119417 0.001257 0.076673 -0.022236 0.119270 -0.156582 33O 2dxz -0.160811 0.074578 -0.095486 0.010306 -0.116864 0.035555 33O 2dyz 0.074656 0.014298 0.059174 0.027365 0.050768 0.078679 33O 2dx2y2 0.055282 -0.051900 0.033715 -0.002191 -0.007699 0.041895 33O 2dxy 0.032525 -0.002617 -0.037431 -0.039192 -0.060575 -0.111423 33O 1f0 -0.036175 0.000388 -0.019326 -0.001583 -0.019126 0.022779 33O 1f+1 -0.021334 0.004530 0.006284 -0.007859 0.000452 -0.020382 33O 1f-1 -0.009201 -0.003403 -0.015909 -0.004342 -0.006546 -0.007216 33O 1f+2 0.061650 -0.008986 0.004942 0.013173 0.018465 0.012741 33O 1f-2 -0.004506 0.006962 -0.001514 0.004700 -0.000301 0.015987 33O 1f+3 0.030545 -0.000562 0.019633 0.006224 0.021355 -0.000426 33O 1f-3 0.004114 -0.005206 -0.009767 0.001654 -0.000344 0.006708 34O 1s 0.024552 0.006045 -0.018353 -0.009653 -0.001232 -0.008307 34O 2s 0.085677 0.023945 -0.063351 -0.026967 -0.001019 -0.026982 34O 3s -0.667832 -0.305601 0.484571 0.084736 -0.046699 0.150765 34O 4s 1.310893 1.297506 -0.968486 0.271793 0.323545 0.008206 34O 5s -1.949541 0.223276 1.656565 0.250787 -0.445181 0.619440 34O 1pz 0.052991 0.065366 -0.043367 0.150544 0.020751 0.098736 34O 1px 0.038888 0.066548 -0.027777 0.150029 0.101379 0.055312 34O 1py -0.147720 -0.206609 0.108380 -0.190664 -0.052414 -0.017668 34O 2pz -0.116562 -0.171296 0.090280 -0.427014 -0.070372 -0.313824 34O 2px -0.115909 0.442787 0.101259 0.047735 -0.103453 0.126433 34O 2py 0.372886 0.402057 -0.293298 0.388921 0.102228 -0.041793 34O 3pz 0.057152 -0.204101 -0.213505 0.269772 0.214501 -0.027521 34O 3px -0.414875 -0.009623 0.436793 0.524906 0.367451 0.189590 34O 3py -0.150180 0.156783 0.121067 -0.444086 -0.415298 0.036819 34O 1dz2 0.003080 0.001043 0.002811 0.008870 0.005002 0.002848 34O 1dxz -0.009027 0.000879 0.005517 0.011894 0.003230 0.011837 34O 1dyz 0.004002 -0.003862 -0.003943 0.005053 0.006589 -0.006137 34O 1dx2y2 0.005905 -0.008611 -0.001723 -0.015435 -0.005902 -0.003571 34O 1dxy 0.001609 0.001751 0.001652 0.015521 0.004894 0.011261 34O 2dz2 0.030892 -0.020247 -0.031368 -0.020363 0.003312 -0.027246 34O 2dxz 0.045817 -0.004119 -0.062813 -0.190551 -0.018484 -0.214364 34O 2dyz -0.034052 -0.093753 0.018832 0.088930 0.059826 0.029312 34O 2dx2y2 -0.045544 0.047539 0.022596 0.150887 0.060953 -0.024027 34O 2dxy 0.045723 0.120584 -0.083293 0.033011 0.003521 -0.054524 34O 1f0 0.005336 0.005494 -0.003000 -0.008350 0.002582 -0.011017 34O 1f+1 0.006931 -0.023015 -0.002550 -0.039109 -0.012751 0.001458 34O 1f-1 0.001624 0.008599 -0.007037 -0.010978 0.001995 -0.018152 34O 1f+2 -0.010311 0.032160 0.004021 0.018431 0.000693 0.027957 34O 1f-2 0.006568 0.030177 -0.011263 -0.014167 -0.008323 -0.007126 34O 1f+3 -0.000543 -0.023597 -0.007339 -0.002254 0.003643 -0.035904 34O 1f-3 0.004830 0.023721 -0.004087 -0.014748 -0.000164 0.004503 35O 1s -0.023384 0.001713 -0.008494 -0.002854 -0.010761 0.006970 35O 2s -0.082656 0.007285 -0.024290 -0.010057 -0.032663 0.022979 35O 3s 0.715198 -0.077003 0.085552 0.106460 0.149857 -0.144400 35O 4s -1.859020 0.296218 0.192106 -0.338497 0.162671 0.108022 35O 5s 1.261831 -0.811846 0.568280 -0.482443 1.133626 -0.611573 35O 1pz -0.244180 0.132857 0.137672 -0.005978 0.042886 0.000022 35O 1px -0.034735 0.067685 0.050005 0.036063 0.070278 0.005059 35O 1py -0.131512 0.095625 0.142048 0.010274 0.067743 -0.068403 35O 2pz 0.570988 -0.350334 -0.296179 -0.014540 -0.054156 -0.035427 35O 2px -0.274450 -0.112355 0.221694 -0.251939 0.194553 -0.174584 35O 2py 0.150879 -0.227726 -0.213945 -0.103426 -0.011696 0.145604 35O 3pz 0.079689 0.615406 0.232381 0.256880 0.261837 0.005983 35O 3px 0.357156 0.174278 0.328684 0.074670 0.673665 -0.213345 35O 3py 0.227163 0.394411 0.346617 0.230371 0.417876 -0.058485 35O 1dz2 -0.003394 0.000064 0.009227 -0.000749 0.002578 -0.001630 35O 1dxz 0.005200 -0.001523 -0.005172 0.000128 0.000261 0.007389 35O 1dyz 0.000378 -0.002141 -0.008487 -0.003807 -0.005433 0.000640 35O 1dx2y2 -0.002302 -0.003457 -0.017742 0.002886 -0.014075 0.010759 35O 1dxy 0.000469 -0.002184 -0.004108 -0.002011 -0.006778 -0.004779 35O 2dz2 -0.053876 -0.055494 -0.097015 -0.020644 -0.094389 -0.007661 35O 2dxz 0.116702 -0.096015 -0.023719 -0.019654 0.017340 -0.045908 35O 2dyz -0.039791 -0.088555 -0.071169 -0.042518 -0.059976 -0.001572 35O 2dx2y2 0.013056 0.070295 0.160486 -0.021201 0.103242 -0.138887 35O 2dxy 0.017472 -0.045666 -0.026865 -0.013993 0.003238 0.083896 35O 1f0 0.008850 -0.006389 0.004552 0.001590 -0.002304 0.004189 35O 1f+1 0.014415 0.008430 0.013682 0.011550 0.004051 0.015307 35O 1f-1 0.027855 -0.005994 0.003392 0.005879 -0.000019 0.016195 35O 1f+2 -0.031231 0.009003 -0.019960 0.001081 -0.015531 0.016752 35O 1f-2 0.016944 -0.001076 -0.007990 0.006275 0.009194 0.003651 35O 1f+3 -0.007238 0.011429 0.015547 -0.003278 0.002398 -0.022482 35O 1f-3 0.016477 -0.004308 -0.035863 0.004443 -0.028554 0.006927 546 547 548 549 550 551 3.57223 3.58715 3.62513 3.63340 3.67051 3.67632 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s -0.000291 0.000641 -0.001022 -0.000159 -0.001686 -0.000626 0Rh 2s 0.002446 -0.006385 0.007381 0.001753 0.014160 0.003954 0Rh 3s -0.000253 -0.000038 -0.001629 0.000109 -0.001499 -0.001342 0Rh 4s -0.013332 0.034759 -0.040465 -0.009574 -0.077449 -0.021758 0Rh 5s 0.028950 -0.079358 0.083586 0.022548 0.167526 0.042293 0Rh 6s -0.024958 0.084776 -0.049222 -0.025716 -0.130837 -0.011916 0Rh 7s 0.052362 -0.269968 0.036380 0.133091 -0.117124 -0.082253 0Rh 8s -0.043212 0.029719 0.084228 0.003475 0.035324 0.111520 0Rh 1pz -0.000466 -0.003544 0.006905 -0.001642 0.003442 -0.001010 0Rh 1px 0.000525 -0.002627 0.000850 -0.004165 0.001524 0.000872 0Rh 1py -0.003495 0.000564 0.003095 0.004956 -0.003310 0.003376 0Rh 2pz 0.001691 0.013519 -0.026785 0.006376 -0.013048 0.003988 0Rh 2px -0.001952 0.009854 -0.003360 0.016181 -0.005946 -0.003491 0Rh 2py 0.012952 -0.002118 -0.011970 -0.019213 0.011991 -0.013134 0Rh 3pz -0.001549 -0.025472 0.060466 -0.015043 0.022316 -0.010532 0Rh 3px 0.002532 -0.014755 0.009302 -0.036466 0.014289 0.009986 0Rh 3py -0.016444 0.003356 0.026543 0.043325 -0.009119 0.029866 0Rh 4pz -0.006056 -0.003637 -0.039692 0.015326 0.015577 0.013255 0Rh 4px 0.006088 -0.021382 -0.015780 0.020593 -0.014503 -0.014112 0Rh 4py -0.037653 0.002784 -0.017275 -0.029718 -0.060461 -0.017841 0Rh 5pz 0.006294 0.035052 0.000217 -0.015682 -0.068915 -0.020206 0Rh 5px -0.019414 0.078566 0.044768 0.012800 0.032752 0.031437 0Rh 5py 0.098995 -0.007703 0.000906 0.007532 0.131521 -0.005927 0Rh 6pz 0.194603 0.138126 1.015384 -0.416841 -0.032426 0.046817 0Rh 6px 0.047244 -0.225342 -0.480215 -0.455112 -0.397136 -0.546049 0Rh 6py 0.227661 0.001222 0.534678 0.657378 0.414092 0.365393 0Rh 1dz2 -0.008374 0.009079 -0.007351 0.030246 0.020281 -0.086240 0Rh 1dxz 0.022609 0.010529 0.011229 0.021043 0.013919 -0.051375 0Rh 1dyz -0.011508 -0.005125 0.005486 -0.011356 -0.032772 0.019971 0Rh 1dx2y2 0.001115 0.016983 0.008585 0.017938 -0.023704 -0.070952 0Rh 1dxy 0.021860 -0.002533 0.000268 0.015651 0.075505 0.007747 0Rh 2dz2 0.002893 0.001355 -0.001003 0.004858 0.002129 -0.013444 0Rh 2dxz 0.002947 0.001871 0.000726 0.003425 0.002360 -0.007230 0Rh 2dyz 0.009071 -0.000276 -0.001961 0.000681 -0.005271 0.002639 0Rh 2dx2y2 0.001792 0.002843 0.000155 0.004263 -0.001822 -0.011060 0Rh 2dxy 0.006743 -0.000415 -0.002088 0.002054 0.010280 -0.000018 0Rh 3dz2 0.015940 -0.037939 0.030416 -0.128765 -0.081644 0.368227 0Rh 3dxz -0.092166 -0.045370 -0.042507 -0.089790 -0.060112 0.215706 0Rh 3dyz -0.001271 0.019106 -0.010131 0.036524 0.140438 -0.082412 0Rh 3dx2y2 -0.012068 -0.072137 -0.030929 -0.082999 0.092304 0.302639 0Rh 3dxy -0.106967 0.010764 0.008761 -0.064558 -0.315355 -0.026983 0Rh 4dz2 0.011887 0.045349 -0.035070 0.159759 0.094299 -0.467524 0Rh 4dxz 0.105844 0.057318 0.038388 0.111610 0.075808 -0.263825 0Rh 4dyz 0.082701 -0.017863 -0.013765 -0.017379 -0.175891 0.088268 0Rh 4dx2y2 0.026765 0.087675 0.028119 0.119590 -0.100153 -0.380806 0Rh 4dxy 0.153577 -0.013658 -0.031958 0.075952 0.388670 0.016436 0Rh 5dz2 0.058231 -0.021082 -0.030974 -0.091537 -0.057717 0.352067 0Rh 5dxz -0.054397 -0.052436 0.071908 -0.078143 -0.040445 0.116651 0Rh 5dyz 0.086844 -0.010197 0.080070 -0.157411 0.052135 0.138905 0Rh 5dx2y2 0.000449 -0.041579 0.031422 -0.174589 0.014475 0.256011 0Rh 5dxy -0.028185 0.018572 0.126896 -0.014827 -0.277361 0.136224 0Rh 1f0 -0.001906 -0.005168 0.005097 -0.013670 0.005648 -0.004211 0Rh 1f+1 0.004068 0.003708 0.028388 -0.011269 -0.002340 -0.001546 0Rh 1f-1 0.009658 0.005956 0.009803 -0.000313 0.006019 0.000442 0Rh 1f+2 -0.001070 -0.014342 -0.005160 0.008649 0.016601 0.002688 0Rh 1f-2 0.025273 -0.001835 0.001888 0.019109 0.018092 0.017805 0Rh 1f+3 -0.006693 0.005511 0.009275 -0.013095 -0.000529 0.000474 0Rh 1f-3 -0.002443 -0.001338 0.029979 0.021805 -0.009489 0.006491 1Rh 1s -0.000300 0.000723 0.001059 0.000134 -0.001772 0.000405 1Rh 2s 0.002533 -0.006968 -0.007710 -0.001537 0.014635 -0.002199 1Rh 3s -0.000259 0.000099 0.001653 -0.000126 -0.001723 0.001088 1Rh 4s -0.013805 0.037952 0.042259 0.008398 -0.080073 0.012154 1Rh 5s 0.029976 -0.085929 -0.087535 -0.019996 0.172321 -0.021946 1Rh 6s -0.025836 0.088669 0.052729 0.023675 -0.130700 -0.001847 1Rh 7s 0.052488 -0.268927 -0.039944 -0.134972 -0.132053 0.040142 1Rh 8s -0.039114 0.024699 -0.086423 -0.001877 0.050716 -0.101447 1Rh 1pz 0.000445 0.003702 0.006852 -0.001607 -0.003199 -0.001683 1Rh 1px -0.000535 0.002555 0.000858 -0.004167 -0.001698 0.000757 1Rh 1py 0.003559 -0.000324 0.003097 0.005018 0.002743 0.003666 1Rh 2pz -0.001606 -0.014132 -0.026585 0.006238 0.012100 0.006491 1Rh 2px 0.001992 -0.009570 -0.003390 0.016193 0.006637 -0.003038 1Rh 2py -0.013203 0.001189 -0.011976 -0.019450 -0.009794 -0.014149 1Rh 3pz 0.001262 0.026843 0.060091 -0.014697 -0.020097 -0.013775 1Rh 3px -0.002605 0.014067 0.009353 -0.036569 -0.016166 0.008703 1Rh 3py 0.017051 -0.001273 0.026477 0.043759 0.004247 0.029843 1Rh 4pz 0.006657 0.002900 -0.039801 0.014967 -0.017334 0.005779 1Rh 4px -0.006098 0.021890 -0.015748 0.020980 0.016761 -0.011749 1Rh 4py 0.037105 -0.004231 -0.016934 -0.029592 0.062983 -0.009367 1Rh 5pz -0.007417 -0.035395 0.001098 -0.015221 0.070494 0.000975 1Rh 5px 0.019502 -0.077918 0.044625 0.011692 -0.037064 0.023507 1Rh 5py -0.098328 0.008345 0.000221 0.006861 -0.130069 -0.022417 1Rh 6pz -0.195313 -0.130665 1.017552 -0.415823 0.025972 0.082414 1Rh 6px -0.050297 0.201888 -0.478224 -0.448062 0.479147 -0.447901 1Rh 6py -0.230023 0.025304 0.536172 0.652747 -0.465946 0.296289 1Rh 1dz2 -0.008672 0.008983 0.008380 -0.031953 0.007683 0.089914 1Rh 1dxz 0.022648 0.009929 -0.010455 -0.022256 0.006930 0.048422 1Rh 1dyz -0.011262 -0.005004 -0.006252 0.012273 -0.030037 -0.025118 1Rh 1dx2y2 0.000950 0.016229 -0.007617 -0.019728 -0.032770 0.064583 1Rh 1dxy 0.022009 -0.003063 -0.000063 -0.015158 0.075602 0.003629 1Rh 2dz2 0.002851 0.001227 0.001168 -0.005171 0.000194 0.013819 1Rh 2dxz 0.002968 0.001743 -0.000606 -0.003620 0.001405 0.006941 1Rh 2dyz 0.009093 -0.000414 0.001861 -0.000641 -0.004955 -0.003416 1Rh 2dx2y2 0.001740 0.002787 -0.000008 -0.004540 -0.003302 0.010348 1Rh 2dxy 0.006756 -0.000463 0.002128 -0.001985 0.010094 0.001673 1Rh 3dz2 0.017171 -0.037012 -0.034796 0.136210 -0.028041 -0.382995 1Rh 3dxz -0.092396 -0.042697 0.039226 0.094963 -0.030931 -0.203873 1Rh 3dyz -0.002231 0.019327 0.013277 -0.039933 0.129389 0.104269 1Rh 3dx2y2 -0.011254 -0.069245 0.026863 0.090565 0.131261 -0.276777 1Rh 3dxy -0.107550 0.012834 -0.009668 0.062509 -0.314774 -0.021047 1Rh 4dz2 0.010474 0.043101 0.040510 -0.169318 0.026594 0.484608 1Rh 4dxz 0.106236 0.053879 -0.034325 -0.118077 0.040567 0.250055 1Rh 4dyz 0.083722 -0.019760 0.010133 0.020640 -0.164839 -0.115647 1Rh 4dx2y2 0.025532 0.084678 -0.023244 -0.128819 -0.149749 0.350470 1Rh 4dxy 0.154221 -0.015782 0.033142 -0.073483 0.385031 0.043570 1Rh 5dz2 0.058521 -0.014203 0.027434 0.097870 -0.006586 -0.361254 1Rh 5dxz -0.054824 -0.050043 -0.074801 0.082429 -0.027490 -0.109818 1Rh 5dyz 0.086719 -0.000836 -0.078805 0.157982 0.078353 -0.124132 1Rh 5dx2y2 0.002019 -0.041936 -0.033110 0.179053 0.051506 -0.240877 1Rh 5dxy -0.028910 0.016741 -0.127665 0.012786 -0.250417 -0.177729 1Rh 1f0 0.001830 0.004499 0.005003 -0.013959 -0.004787 -0.005811 1Rh 1f+1 -0.004155 -0.003009 0.028632 -0.011417 0.002404 -0.001105 1Rh 1f-1 -0.009768 -0.005968 0.009861 -0.000903 -0.006061 0.000280 1Rh 1f+2 0.001035 0.014834 -0.005106 0.008243 -0.016891 -0.000577 1Rh 1f-2 -0.025223 0.002804 0.001700 0.019403 -0.020624 0.015867 1Rh 1f+3 0.006673 -0.005121 0.009449 -0.013358 0.000524 0.000754 1Rh 1f-3 0.002535 0.002600 0.030106 0.021612 0.008263 0.008596 2C 1s 0.003740 -0.001567 0.001485 -0.003440 0.001103 -0.001083 2C 2s 0.009479 -0.003058 0.005846 -0.008246 0.002933 -0.001874 2C 3s 0.090491 -0.075950 -0.104796 -0.043272 -0.067913 -0.057750 2C 4s -0.451647 0.519237 0.163596 0.422802 0.295726 0.362747 2C 5s 2.393761 -0.286649 -2.524878 -0.142355 -0.346665 -0.205996 2C 1pz 0.047188 0.009360 -0.009415 0.014623 -0.022767 -0.028129 2C 1px -0.051964 0.002973 -0.041518 0.010610 -0.013610 0.015951 2C 1py 0.025698 -0.018607 0.002545 0.014693 -0.036606 0.044677 2C 2pz -0.178499 0.235063 0.129729 0.178288 0.268526 -0.054246 2C 2px -0.317375 -0.070907 0.109313 -0.047233 0.061242 0.071242 2C 2py -0.120670 0.060112 0.014704 -0.360070 0.084956 0.289929 2C 3pz 0.404319 -0.030037 -0.574486 -0.005975 -0.045936 -0.027107 2C 3px 0.113258 -0.012010 -0.148384 -0.029103 -0.025526 -0.071552 2C 3py 0.206752 -0.030878 -0.365825 0.062700 0.004191 -0.041811 2C 1dz2 0.054036 -0.005691 0.027373 0.017592 -0.035788 0.080862 2C 1dxz 0.175912 0.020307 0.085232 0.030478 -0.059693 0.132659 2C 1dyz -0.009142 -0.014153 -0.021590 -0.035131 -0.029170 -0.001860 2C 1dx2y2 -0.120777 -0.029115 -0.051270 0.005692 -0.028617 0.142807 2C 1dxy 0.023953 0.064947 0.003780 0.080346 0.031573 -0.114377 2C 2dz2 -0.139305 0.040101 -0.002029 0.070937 0.101251 -0.062012 2C 2dxz -0.122469 -0.082024 -0.148653 -0.165840 0.128329 -0.170649 2C 2dyz -0.219291 0.059712 0.112052 -0.099922 0.120164 0.074840 2C 2dx2y2 0.036316 -0.010495 0.135646 0.062398 -0.056052 0.003326 2C 2dxy -0.061208 -0.055562 0.073815 -0.024790 0.044722 -0.041116 2C 1f0 -0.005222 0.026927 0.000613 0.058281 -0.009061 0.003310 2C 1f+1 0.145920 0.084775 0.023291 0.020702 0.008066 0.079789 2C 1f-1 -0.226494 -0.082108 -0.047356 -0.103091 0.042403 0.014266 2C 1f+2 -0.024602 -0.229099 -0.006809 -0.225748 0.000457 -0.026765 2C 1f-2 0.010513 -0.110134 0.002361 -0.100325 0.062055 -0.140682 2C 1f+3 0.008537 0.061573 -0.002052 0.037175 0.081915 -0.141201 2C 1f-3 0.048754 -0.233518 -0.002525 -0.237106 0.024322 -0.075933 3C 1s -0.004895 -0.002738 -0.005370 -0.000946 0.000886 0.000280 3C 2s -0.013211 -0.005846 -0.012464 -0.003770 0.004054 -0.000224 3C 3s -0.057844 -0.098710 -0.103393 0.067694 -0.101440 0.035730 3C 4s 0.445623 0.671416 0.816015 -0.050410 0.450964 -0.082002 3C 5s -2.252801 -0.391864 -0.452594 2.312196 -0.560203 0.685861 3C 1pz -0.081829 0.000763 0.029814 -0.021992 0.018918 -0.026644 3C 1px 0.037197 0.000516 0.021324 0.045122 0.095463 -0.060056 3C 1py 0.011745 0.002085 0.000207 -0.005808 0.045400 -0.024571 3C 2pz -0.082130 0.112722 -0.182605 0.142583 0.332522 -0.088769 3C 2px 0.271973 -0.063290 -0.216215 0.051492 0.187574 -0.446781 3C 2py -0.201993 -0.206608 -0.221974 0.157543 -0.031908 -0.237750 3C 3pz -0.104120 -0.052244 0.040198 0.283595 -0.122293 0.070146 3C 3px -0.159305 -0.020653 -0.025663 0.171630 -0.109353 0.149910 3C 3py 0.355740 0.026854 0.058815 -0.545016 0.100377 -0.141351 3C 1dz2 0.034592 -0.027609 -0.085468 0.001392 -0.017516 -0.005758 3C 1dxz -0.123913 0.035975 -0.003344 -0.090190 -0.143690 0.214918 3C 1dyz -0.136355 0.037503 0.074611 -0.018449 0.114443 -0.038885 3C 1dx2y2 0.208088 -0.002783 -0.041110 0.035691 -0.123157 0.135449 3C 1dxy 0.143631 -0.032222 -0.047540 -0.021254 -0.194915 0.096135 3C 2dz2 -0.051262 0.013708 -0.043243 0.134207 0.147177 -0.087122 3C 2dxz 0.076256 -0.061562 -0.116112 0.016959 -0.276301 0.098727 3C 2dyz -0.070194 -0.093844 -0.055561 0.067178 -0.322516 0.114647 3C 2dx2y2 -0.249156 -0.027087 0.036582 -0.096499 0.017125 -0.180940 3C 2dxy -0.221786 0.085108 0.232133 0.018220 0.294317 -0.053054 3C 1f0 -0.216773 0.082008 0.136434 0.021799 0.197898 -0.170157 3C 1f+1 -0.060078 -0.147586 -0.181310 0.004922 -0.007050 0.069555 3C 1f-1 -0.053954 -0.048946 -0.026203 -0.046268 -0.119565 0.054734 3C 1f+2 -0.196181 0.009680 -0.008624 -0.079010 -0.205474 0.113360 3C 1f-2 0.072994 -0.174002 -0.191109 0.074227 0.223225 -0.160316 3C 1f+3 -0.021269 -0.107706 -0.156127 0.001381 -0.068756 -0.045554 3C 1f-3 0.062745 -0.095423 -0.107480 -0.048919 -0.254735 0.066367 4C 1s -0.000647 -0.000662 0.002324 -0.003200 0.001645 -0.002940 4C 2s -0.000597 -0.002440 0.002931 -0.008993 0.005213 -0.008429 4C 3s -0.532763 0.033803 0.259125 0.081573 0.006894 0.056028 4C 4s 2.965461 -0.040410 -1.445567 -0.004204 -0.350411 0.090713 4C 5s 2.669287 0.179095 1.077231 -0.008311 -0.253041 0.296413 4C 1pz -0.068604 -0.085849 -0.062880 -0.080178 0.024433 -0.057471 4C 1px 0.001627 0.010190 -0.006551 -0.010010 0.030206 -0.030920 4C 1py -0.024877 0.043323 -0.047315 0.035374 0.013631 -0.000098 4C 2pz 0.413045 0.621341 -0.005789 0.340634 0.149282 0.309247 4C 2px -0.263936 -0.099659 0.005235 0.077926 -0.045811 0.313461 4C 2py 0.062899 -0.255822 -0.008598 -0.328322 0.149101 0.009875 4C 3pz 3.365557 -0.163898 -1.990562 0.093619 -0.404298 -0.022724 4C 3px 0.768853 -0.058087 -0.333257 0.061851 -0.053721 -0.031804 4C 3py 2.386837 0.049391 -1.325725 0.019050 -0.296468 -0.056935 4C 1dz2 -0.014242 0.029779 -0.006335 -0.085518 -0.003035 -0.017170 4C 1dxz 0.042540 0.022931 0.001668 -0.034401 0.019673 -0.030806 4C 1dyz -0.039093 0.011714 0.016848 0.080086 0.002283 0.056142 4C 1dx2y2 -0.017056 0.017726 0.008044 -0.068279 0.009478 0.011106 4C 1dxy 0.006902 0.015056 0.018271 0.028856 0.009299 -0.004541 4C 2dz2 -0.069522 0.199065 0.174149 0.556880 -0.122988 0.072041 4C 2dxz -0.453131 -0.263295 0.245092 -0.049401 0.019538 -0.074641 4C 2dyz 0.281702 -0.212614 -0.056292 -0.278699 -0.130104 -0.085446 4C 2dx2y2 0.591432 0.147891 -0.365950 0.273944 0.015147 0.108883 4C 2dxy 0.265593 -0.120950 -0.168963 -0.140801 0.079903 -0.121221 4C 1f0 -0.092181 0.042907 0.020601 0.027409 0.008449 -0.044007 4C 1f+1 -0.104278 -0.227826 0.005533 -0.309196 0.015513 -0.080730 4C 1f-1 -0.025453 0.079955 0.007719 0.078277 -0.050838 0.106100 4C 1f+2 0.182033 0.213203 -0.046522 0.146199 -0.007844 0.066267 4C 1f-2 0.026722 0.259015 0.001092 0.334189 0.021695 -0.010351 4C 1f+3 0.085581 -0.210947 -0.016633 -0.282042 0.078560 -0.249508 4C 1f-3 0.004552 0.346912 0.074893 0.391688 -0.008816 0.040106 5C 1s 0.000811 -0.001520 -0.004276 -0.003366 -0.004297 0.002088 5C 2s 0.001973 -0.004948 -0.012667 -0.006334 -0.012026 0.007353 5C 3s 0.489781 0.084510 0.160912 -0.212250 0.019719 -0.130115 5C 4s -2.886213 -0.145302 -0.189197 1.332012 0.521751 0.337930 5C 5s -2.753221 0.142769 0.124642 -0.905252 0.814454 -0.328458 5C 1pz 0.047048 0.000700 0.008272 0.040013 -0.013991 0.017680 5C 1px 0.001179 0.045147 0.016929 -0.000274 -0.074061 0.028479 5C 1py -0.077832 0.082138 0.112629 -0.042799 0.071404 -0.053146 5C 2pz -0.254142 -0.020538 -0.171173 -0.035703 -0.095250 0.204111 5C 2px 0.277116 -0.272384 -0.231538 0.303182 1.065176 -0.491324 5C 2py 0.424140 -0.570507 -0.545979 -0.071567 -0.406483 0.002430 5C 3pz -1.967942 0.022646 -0.128609 1.114949 0.009280 0.341595 5C 3px -1.277701 -0.083468 0.006238 0.645725 -0.186653 0.232227 5C 3py 3.223191 0.237968 0.072242 -1.826870 0.066656 -0.500234 5C 1dz2 0.009721 -0.010830 0.072855 -0.003153 -0.049067 0.016600 5C 1dxz -0.017727 0.009241 0.068290 -0.033141 -0.058248 0.056259 5C 1dyz -0.020482 -0.032981 -0.102960 -0.002354 -0.103515 0.046382 5C 1dx2y2 -0.029196 0.008781 0.094612 -0.021553 0.015982 0.021753 5C 1dxy 0.004660 -0.024340 -0.042525 0.015981 0.032659 -0.025982 5C 2dz2 0.318406 -0.046004 -0.269494 -0.105732 0.208654 -0.154699 5C 2dxz 0.356688 -0.234674 -0.393283 -0.228371 -0.306271 -0.107921 5C 2dyz 0.432958 0.071364 0.170600 -0.148082 -0.064110 -0.052209 5C 2dx2y2 -0.329492 -0.172546 -0.536100 0.365359 -0.084376 0.059337 5C 2dxy -0.164925 0.354087 0.420424 0.110865 0.231679 0.226969 5C 1f0 0.115044 0.010735 0.043428 0.046976 0.252077 -0.182332 5C 1f+1 -0.047665 0.302412 0.446997 -0.164150 -0.278008 0.182857 5C 1f-1 0.004837 0.149626 0.167688 -0.017972 -0.128141 0.116033 5C 1f+2 -0.076148 -0.249603 -0.398812 -0.056811 -0.325036 0.192686 5C 1f-2 -0.135867 0.140681 0.144751 0.047536 0.082621 -0.054377 5C 1f+3 0.052018 0.008586 -0.021935 -0.046655 -0.100895 -0.030046 5C 1f-3 -0.170753 0.170087 0.272916 0.001367 0.001101 0.029484 6C 1s 0.000742 -0.001288 0.004241 0.003475 -0.003997 -0.002730 6C 2s 0.001724 -0.004353 0.012541 0.006673 -0.010952 -0.009190 6C 3s 0.494558 0.085397 -0.158422 0.206559 -0.000072 0.137084 6C 4s -2.897424 -0.179458 0.187071 -1.321052 0.573367 -0.281998 6C 5s -2.742464 0.157300 -0.116814 0.912072 0.755744 0.428296 6C 1pz -0.045559 -0.001177 0.010136 0.039176 0.011372 0.019056 6C 1px -0.000941 -0.043752 0.017703 0.000232 0.068269 0.040781 6C 1py 0.076904 -0.080055 0.112832 -0.040587 -0.063602 -0.064560 6C 2pz 0.248431 0.025019 -0.179050 -0.039831 0.062226 0.212174 6C 2px -0.278611 0.265879 -0.237081 0.298012 -0.964037 -0.655511 6C 2py -0.416926 0.552609 -0.551439 -0.075107 0.403481 0.082943 6C 3pz 1.977929 0.004879 -0.126271 1.103386 -0.062124 0.360163 6C 3px 1.285283 0.096955 0.008094 0.636037 0.146539 0.274221 6C 3py -3.236481 -0.287924 0.071643 -1.800172 0.012147 -0.539912 6C 1dz2 0.008753 -0.012918 -0.071956 0.002659 -0.046901 -0.026230 6C 1dxz -0.018489 0.008110 -0.067642 0.032603 -0.048726 -0.065323 6C 1dyz -0.023224 -0.029199 0.101634 0.004647 -0.095188 -0.062985 6C 1dx2y2 -0.026741 0.005860 -0.093694 0.019098 0.020050 -0.020218 6C 1dxy 0.004950 -0.023851 0.042649 -0.015544 0.026936 0.031023 6C 2dz2 0.321670 -0.039738 0.273747 0.104468 0.183398 0.193972 6C 2dxz 0.359592 -0.215774 0.394941 0.230466 -0.318662 0.056361 6C 2dyz 0.436314 0.073296 -0.169429 0.146263 -0.075321 0.047455 6C 2dx2y2 -0.334973 -0.166340 0.537745 -0.350972 -0.079359 -0.066688 6C 2dxy -0.164612 0.335627 -0.425932 -0.115991 0.269737 -0.181192 6C 1f0 -0.113468 -0.011284 0.044092 0.047153 -0.216961 -0.219600 6C 1f+1 0.047434 -0.297942 0.456450 -0.158127 0.242363 0.224990 6C 1f-1 -0.002090 -0.150036 0.174995 -0.015736 0.106789 0.134937 6C 1f+2 0.075968 0.241275 -0.403850 -0.062778 0.290340 0.241954 6C 1f-2 0.136550 -0.135471 0.147433 0.048610 -0.074627 -0.068443 6C 1f+3 -0.050197 -0.010116 -0.023735 -0.046868 0.104219 -0.015695 6C 1f-3 0.169990 -0.165215 0.277597 0.004525 -0.007195 0.028217 7C 1s -0.000564 -0.000505 -0.002321 0.003030 0.001238 0.002818 7C 2s -0.000359 -0.001895 -0.002947 0.008524 0.004028 0.008112 7C 3s -0.534417 0.020642 -0.259055 -0.074042 0.015485 -0.051729 7C 4s 2.960783 0.001903 1.445433 -0.008937 -0.340469 -0.100080 7C 5s 2.659658 0.151556 -1.076192 -0.000767 -0.210651 -0.272455 7C 1pz 0.067948 0.079349 -0.063343 -0.079176 -0.016372 -0.054580 7C 1px -0.001874 -0.006919 -0.006854 -0.011707 -0.025676 -0.032118 7C 1py 0.024714 -0.044286 -0.045743 0.037747 -0.013527 0.002071 7C 2pz -0.409510 -0.593817 -0.001967 0.341970 -0.190785 0.268055 7C 2px 0.267627 0.076933 0.006088 0.085926 0.007481 0.252511 7C 2py -0.062070 0.248823 -0.017099 -0.339544 -0.148523 -0.041087 7C 3pz -3.364155 0.115298 -1.986853 0.116235 0.407898 0.029476 7C 3px -0.762433 0.049695 -0.328785 0.066876 0.057242 -0.014140 7C 3py -2.390972 -0.086117 -1.322839 0.038787 0.305388 -0.013214 7C 1dz2 -0.013041 0.033278 0.006187 0.084661 -0.006079 0.018933 7C 1dxz 0.044101 0.023419 -0.001907 0.033645 0.014979 0.028992 7C 1dyz -0.040394 0.007365 -0.016662 -0.076655 0.010154 -0.049710 7C 1dx2y2 -0.017447 0.018301 -0.007835 0.068263 0.010464 -0.005553 7C 1dxy 0.005729 0.011825 -0.018058 -0.027418 0.008470 0.007842 7C 2dz2 -0.071894 0.168370 -0.176151 -0.558119 -0.107423 -0.085367 7C 2dxz -0.455366 -0.243858 -0.246271 0.044795 0.009784 0.052321 7C 2dyz 0.282188 -0.201214 0.057179 0.276766 -0.143091 0.064666 7C 2dx2y2 0.592625 0.152659 0.364487 -0.281527 0.030284 -0.100755 7C 2dxy 0.266450 -0.092644 0.167490 0.128135 0.063096 0.104760 7C 1f0 0.091818 -0.042158 0.022865 0.029444 -0.003089 -0.043759 7C 1f+1 0.102241 0.218729 0.003799 -0.317346 -0.002795 -0.075313 7C 1f-1 0.025481 -0.073532 0.008776 0.075062 0.035812 0.103747 7C 1f+2 -0.183425 -0.207517 -0.041991 0.150991 -0.001782 0.073009 7C 1f-2 -0.026673 -0.257244 0.005483 0.345475 -0.020950 0.000657 7C 1f+3 -0.084277 0.207226 -0.021440 -0.288206 -0.044870 -0.234417 7C 1f-3 -0.004484 -0.330518 0.080069 0.399365 0.000258 0.056384 8C 1s -0.004838 -0.002541 0.005283 0.001069 0.000921 -0.000140 8C 2s -0.013009 -0.005345 0.012250 0.004056 0.003978 0.000903 8C 3s -0.061145 -0.097079 0.102307 -0.067115 -0.093552 -0.055713 8C 4s 0.453747 0.646001 -0.807192 0.043328 0.427224 0.175179 8C 5s -2.270862 -0.439058 0.446334 -2.285661 -0.449940 -0.789614 8C 1pz 0.079876 0.000459 0.028131 -0.020544 -0.015303 -0.029558 8C 1px -0.037481 0.001415 0.020665 0.046118 -0.083947 -0.073456 8C 1py -0.013743 -0.001780 -0.000539 -0.005944 -0.039991 -0.032838 8C 2pz 0.078986 -0.112544 -0.183756 0.139483 -0.318241 -0.162814 8C 2px -0.276906 0.056871 -0.219704 0.043898 -0.108359 -0.475512 8C 2py 0.206513 0.204633 -0.226563 0.158506 0.064130 -0.221098 8C 3pz 0.107593 0.059712 0.041827 0.279075 0.111759 0.089560 8C 3px 0.161311 0.025320 -0.024643 0.169673 0.082616 0.166944 8C 3py -0.359592 -0.039488 0.058778 -0.540720 -0.078634 -0.160156 8C 1dz2 0.031775 -0.024780 0.086497 0.000073 -0.020204 -0.000539 8C 1dxz -0.124207 0.038304 0.000451 0.089771 -0.107152 -0.237761 8C 1dyz -0.132199 0.034218 -0.072475 0.017392 0.107358 0.059284 8C 1dx2y2 0.201711 -0.000935 0.037221 -0.034956 -0.100029 -0.154605 8C 1dxy 0.143168 -0.029104 0.046020 0.023220 -0.178914 -0.128271 8C 2dz2 -0.053407 0.011584 0.041946 -0.133173 0.131880 0.112052 8C 2dxz 0.074977 -0.057668 0.114009 -0.012563 -0.258082 -0.137378 8C 2dyz -0.077560 -0.092919 0.055331 -0.066494 -0.300706 -0.174471 8C 2dx2y2 -0.241979 -0.027019 -0.031739 0.093586 -0.008706 0.180040 8C 2dxy -0.220360 0.076476 -0.232169 -0.024838 0.286863 0.098285 8C 1f0 0.213504 -0.074952 0.132760 0.024434 -0.171056 -0.201043 8C 1f+1 0.058005 0.148373 -0.190890 0.003010 -0.001121 0.073254 8C 1f-1 0.052451 0.050744 -0.032417 -0.046497 0.108925 0.073147 8C 1f+2 0.196367 -0.016505 -0.001126 -0.080108 0.183185 0.145716 8C 1f-2 -0.072606 0.171883 -0.196102 0.071590 -0.193364 -0.193250 8C 1f+3 0.021406 0.103167 -0.158940 -0.002926 0.075444 -0.037583 8C 1f-3 -0.061325 0.094009 -0.113454 -0.049508 0.240541 0.107010 9C 1s 0.003736 -0.001422 -0.001457 0.003195 0.000919 0.001263 9C 2s 0.009453 -0.002807 -0.005768 0.007647 0.002586 0.002508 9C 3s 0.091629 -0.068047 0.104965 0.039721 -0.075444 0.040435 9C 4s -0.455218 0.479149 -0.166040 -0.393561 0.344614 -0.284462 9C 5s 2.400050 -0.206646 2.522127 0.108764 -0.375135 0.123460 9C 1pz -0.048306 -0.010174 -0.008431 0.015149 0.026398 -0.022045 9C 1px 0.051200 -0.003406 -0.041644 0.010864 0.011254 0.012369 9C 1py -0.023569 0.020166 0.000853 0.012580 0.030439 0.044526 9C 2pz 0.173266 -0.221377 0.124913 0.185585 -0.260784 -0.095439 9C 2px 0.317164 0.065132 0.110161 -0.041132 -0.073153 0.060208 9C 2py 0.129030 -0.065782 0.019449 -0.364155 -0.119794 0.251654 9C 3pz -0.402073 0.014579 -0.570541 -0.002968 0.050017 -0.014356 9C 3px -0.112615 0.008224 -0.147078 -0.027934 0.036156 -0.063373 9C 3py -0.213853 0.023149 -0.369754 0.066877 0.002205 -0.033012 9C 1dz2 0.049950 -0.007661 -0.025135 -0.017511 -0.024432 -0.080943 9C 1dxz 0.172325 0.013446 -0.084132 -0.025818 -0.042309 -0.124027 9C 1dyz -0.006340 -0.011957 0.020685 0.034215 -0.029518 -0.001937 9C 1dx2y2 -0.122408 -0.031356 0.052364 -0.001186 -0.009866 -0.139352 9C 1dxy 0.025483 0.062693 -0.003613 -0.083728 0.016183 0.108992 9C 2dz2 -0.135875 0.036197 0.001308 -0.073657 0.092000 0.077976 9C 2dxz -0.117171 -0.064257 0.146880 0.159056 0.104771 0.152605 9C 2dyz -0.220934 0.057636 -0.110829 0.099328 0.129097 -0.047508 9C 2dx2y2 0.035974 -0.015910 -0.135757 -0.058415 -0.054645 -0.001223 9C 2dxy -0.064318 -0.053010 -0.073036 0.022845 0.039817 0.032068 9C 1f0 0.004767 -0.021690 -0.000548 0.056632 0.008682 -0.007786 9C 1f+1 -0.146331 -0.087356 0.024360 0.027774 -0.018231 0.083326 9C 1f-1 0.224690 0.076088 -0.047838 -0.104497 -0.043307 0.006240 9C 1f+2 0.022495 0.217638 -0.009923 -0.228261 0.004010 -0.024354 9C 1f-2 -0.010370 0.113162 0.000834 -0.112782 -0.043753 -0.128756 9C 1f+3 -0.010577 -0.074840 0.000317 0.055847 -0.062873 -0.128050 9C 1f-3 -0.048881 0.224511 -0.006566 -0.242253 -0.014347 -0.085429 10H 1s -0.095327 -0.051875 -0.075504 -0.072648 0.046201 -0.057296 10H 2s 0.423985 0.002059 -0.023032 -0.094080 0.040646 -0.184347 10H 3s -0.255435 0.024468 0.145123 0.055686 0.048540 0.066682 10H 1pz 0.207459 0.076436 0.027571 0.034840 0.010896 -0.027012 10H 1px -0.147074 0.018397 -0.035968 0.042012 -0.000274 0.059092 10H 1py 0.060463 -0.101942 -0.018160 -0.111396 0.044264 -0.124180 11H 1s 0.038278 -0.004021 0.060573 -0.016704 -0.012719 0.068777 11H 2s -0.069094 -0.024305 0.072206 0.070244 0.060207 -0.223696 11H 3s -0.074302 0.019621 0.090943 -0.007091 -0.006749 0.050877 11H 1pz -0.118826 -0.094305 -0.050433 -0.044179 0.050950 -0.162943 11H 1px 0.020811 0.117528 0.039626 0.117241 0.022060 -0.083518 11H 1py 0.002923 0.054768 -0.008766 0.083923 0.003054 0.008910 12H 1s -0.006202 0.003198 0.011020 -0.016429 0.027701 -0.062584 12H 2s -0.003493 -0.120722 -0.000551 -0.297793 -0.081438 0.274558 12H 3s -0.143852 0.061847 0.128003 0.117143 0.050822 -0.070632 12H 1pz -0.051721 -0.018036 -0.036589 -0.054808 -0.001450 0.029264 12H 1px 0.036794 -0.144294 0.046216 -0.168183 -0.033572 0.080443 12H 1py -0.049833 -0.026361 -0.036663 -0.096206 -0.056001 0.179874 13H 1s 0.139554 -0.067781 -0.109306 0.023762 -0.158619 0.050732 13H 2s -0.439763 -0.055659 -0.177860 -0.062277 -0.248401 0.365547 13H 3s 0.299597 0.039699 0.087438 -0.109358 0.066435 -0.144977 13H 1pz -0.136967 -0.087069 -0.150726 -0.039729 -0.152413 0.194339 13H 1px 0.172327 -0.035480 -0.023049 0.040243 -0.040172 -0.014432 13H 1py 0.203875 -0.053235 -0.037084 0.047830 0.074014 -0.100995 14H 1s 0.051052 -0.016392 -0.051299 -0.002111 -0.044960 0.082076 14H 2s -0.063248 -0.119581 -0.293094 0.158281 0.468629 -0.472690 14H 3s 0.169284 0.053990 0.130370 -0.161821 -0.109657 0.115174 14H 1pz 0.069624 0.017608 -0.014229 0.086734 0.106163 -0.149667 14H 1px -0.080612 -0.098098 -0.146235 0.059571 0.265872 -0.261783 14H 1py -0.036083 0.043489 0.077973 -0.050588 -0.090082 0.090740 15H 1s -0.110989 0.009962 0.013917 -0.034335 0.109546 -0.079492 15H 2s 0.098373 -0.105857 -0.070492 -0.130085 -0.179697 0.160948 15H 3s 0.048248 0.065863 0.045520 -0.066362 0.123195 -0.068658 15H 1pz 0.011667 0.011261 0.036699 0.031425 0.013049 -0.005362 15H 1px -0.025551 0.098440 0.114737 -0.046604 -0.062267 0.090191 15H 1py -0.173943 0.099847 0.112831 0.012470 0.185424 -0.139592 16H 1s 0.002559 -0.018918 0.075631 0.037141 0.156829 0.025673 16H 2s -0.110552 -0.085233 -0.144204 0.034581 0.397375 -0.025963 16H 3s -0.042881 0.028330 0.057695 -0.022699 -0.071530 -0.017409 16H 1pz -0.027360 -0.045652 0.025728 0.046591 0.306867 0.019399 16H 1px 0.013848 -0.002141 0.001835 -0.000956 0.003668 0.000798 16H 1py -0.012474 -0.014434 0.024269 0.024552 0.096473 0.021337 17H 1s 0.009773 -0.007487 0.045045 0.050492 0.165377 0.062649 17H 2s 0.043576 -0.056163 -0.012448 -0.045007 0.295445 -0.084064 17H 3s 0.067353 0.005402 -0.025126 0.026845 -0.054611 0.028232 17H 1pz -0.004368 0.020233 -0.024022 -0.029893 -0.199487 -0.011257 17H 1px -0.020018 0.020109 -0.028187 -0.026620 -0.162822 -0.011921 17H 1py 0.003767 -0.008087 0.041438 0.028041 0.127034 0.027138 18H 1s 0.007397 -0.008580 -0.046113 -0.047779 0.173175 -0.039161 18H 2s 0.034278 -0.051638 0.013339 0.042648 0.283277 0.123510 18H 3s 0.065880 0.004411 0.026288 -0.026865 -0.050955 -0.030765 18H 1pz 0.001123 -0.020418 -0.025341 -0.028941 0.203390 0.015154 18H 1px 0.016188 -0.020210 -0.027868 -0.026276 0.163992 0.011600 18H 1py -0.000368 0.007645 0.041154 0.026552 -0.125178 0.009975 19H 1s 0.000484 -0.020775 -0.077376 -0.034477 0.157195 -0.004668 19H 2s -0.119668 -0.084725 0.145346 -0.030812 0.387304 0.077736 19H 3s -0.040982 0.027540 -0.056542 0.020798 -0.070248 0.003930 19H 1pz 0.032307 0.047066 0.026564 0.042565 -0.302269 -0.021528 19H 1px -0.014088 0.001111 0.002067 -0.001773 -0.001050 -0.000822 19H 1py 0.015812 0.016830 0.025204 0.023820 -0.104115 0.007929 20H 1s -0.106135 0.009136 -0.012376 0.033480 0.096121 0.098121 20H 2s 0.097102 -0.097608 0.063107 0.132554 -0.153622 -0.195992 20H 3s 0.050748 0.064682 -0.042503 0.063760 0.112485 0.088979 20H 1pz -0.011864 -0.008921 0.034819 0.032338 -0.011561 -0.007513 20H 1px 0.026171 -0.098130 0.119764 -0.045734 0.046775 0.101150 20H 1py 0.170538 -0.095387 0.110167 0.014814 -0.163286 -0.173016 21H 1s 0.047991 -0.014063 0.049065 0.003796 -0.032060 -0.089028 21H 2s -0.060332 -0.115198 0.296075 -0.153212 0.387877 0.545349 21H 3s 0.168373 0.054919 -0.132284 0.159673 -0.088817 -0.130679 21H 1pz -0.068252 -0.017638 -0.012282 0.085947 -0.081566 -0.167194 21H 1px 0.076697 0.097475 -0.151409 0.057671 -0.220523 -0.302856 21H 1py 0.036677 -0.042582 0.079104 -0.048629 0.072888 0.104489 22H 1s 0.136947 -0.064351 0.108360 -0.021245 -0.150512 -0.076317 22H 2s -0.440645 -0.049446 0.172468 0.065114 -0.183117 -0.397268 22H 3s 0.299567 0.040751 -0.085711 0.107774 0.040515 0.154177 22H 1pz 0.137063 0.083480 -0.151096 -0.041689 0.118403 0.215270 22H 1px -0.169767 0.035092 -0.023581 0.039150 0.043236 -0.007359 22H 1py -0.203297 0.053788 -0.039726 0.047441 -0.054749 -0.109311 23H 1s -0.002989 0.004967 -0.013056 0.013885 0.019293 0.062166 23H 2s -0.009874 -0.112551 -0.000801 0.298007 -0.047641 -0.252304 23H 3s -0.140107 0.053653 -0.126841 -0.116477 0.041823 0.069465 23H 1pz 0.051437 0.014213 -0.036963 -0.054217 -0.002160 0.026000 23H 1px -0.033799 0.142459 0.043603 -0.173213 0.023384 0.069718 23H 1py 0.052388 0.024128 -0.035861 -0.096751 0.032921 0.172892 24H 1s 0.034728 -0.006689 -0.058251 0.017403 -0.003464 -0.063408 24H 2s -0.062494 -0.021377 -0.069425 -0.085893 0.031634 0.219823 24H 3s -0.079425 0.013294 -0.092542 0.014142 -0.000891 -0.043740 24H 1pz 0.115231 0.088290 -0.051755 -0.040032 -0.029453 -0.157302 24H 1px -0.023421 -0.114467 0.041349 0.125614 -0.011940 -0.081186 24H 1py -0.001971 -0.053313 -0.006286 0.084870 -0.004684 0.009214 25H 1s -0.093588 -0.044269 0.075431 0.069551 0.038287 0.050403 25H 2s 0.425282 0.009236 0.024689 0.083475 0.013602 0.170145 25H 3s -0.255748 0.017943 -0.145547 -0.050194 0.057595 -0.054700 25H 1pz -0.207219 -0.075500 0.027586 0.039809 -0.006556 -0.021748 25H 1px 0.146299 -0.018517 -0.034825 0.041260 -0.008330 0.057955 25H 1py -0.061458 0.096813 -0.019043 -0.112009 -0.026740 -0.119403 26O 1s 0.027801 -0.001971 -0.015673 -0.001495 -0.006650 0.004137 26O 2s 0.096577 -0.006373 -0.055323 -0.004630 -0.023884 0.013643 26O 3s -0.734609 0.027934 0.429245 0.019468 0.203402 -0.090139 26O 4s 1.390044 0.067385 -0.817581 0.093564 -0.484865 0.177891 26O 5s -4.112347 0.165749 2.277258 0.049193 0.674277 -0.436767 26O 1pz -0.041861 0.046203 0.132138 0.059870 0.013585 0.001147 26O 1px -0.080243 0.037313 0.088998 0.036782 0.005483 0.023475 26O 1py -0.066680 -0.128076 0.106156 -0.157839 0.034242 -0.063510 26O 2pz 0.156756 -0.158219 -0.376514 -0.188461 -0.033132 -0.006935 26O 2px 0.397118 -0.223175 -0.360260 -0.203101 0.022391 -0.041377 26O 2py 0.274097 0.332783 -0.340038 0.464387 -0.107230 0.267745 26O 3pz -0.477246 0.144182 0.728409 0.112286 0.159806 -0.032384 26O 3px 0.891417 0.080269 -0.062102 0.045486 -0.066464 0.245654 26O 3py 0.051040 -0.022562 0.403438 -0.142919 0.068036 -0.091764 26O 1dz2 -0.005175 -0.001578 0.005035 -0.005518 -0.003223 0.001423 26O 1dxz -0.002572 -0.010156 0.005954 -0.007172 -0.001601 0.004547 26O 1dyz -0.004518 0.001905 0.009567 0.000731 0.001592 -0.002249 26O 1dx2y2 0.002404 -0.013140 -0.003977 -0.009863 0.003738 -0.009170 26O 1dxy -0.000848 0.007550 0.003421 0.006804 -0.002337 0.011875 26O 2dz2 0.066048 0.055127 -0.003732 0.063923 0.007103 0.044777 26O 2dxz 0.033298 0.112297 0.058708 0.145101 -0.021129 0.052097 26O 2dyz 0.007137 0.024944 0.048360 0.009649 0.022981 -0.051348 26O 2dx2y2 -0.072610 0.189243 0.022688 0.231509 -0.047506 0.139330 26O 2dxy -0.069213 -0.155370 0.058092 -0.210512 0.041168 -0.163734 26O 1f0 0.000741 0.013400 -0.000526 0.015698 0.000453 -0.009717 26O 1f+1 0.006504 0.029674 0.005751 0.036592 0.009336 -0.012058 26O 1f-1 0.010422 0.022296 0.004936 0.025553 0.000046 0.002869 26O 1f+2 -0.010363 0.028003 0.005988 0.034948 -0.000944 0.003455 26O 1f-2 0.015397 0.005877 -0.002580 -0.008848 0.004823 -0.005605 26O 1f+3 -0.008625 -0.029784 0.004673 -0.024107 0.006890 -0.022026 26O 1f-3 -0.019769 -0.004419 0.001285 -0.014321 -0.003436 0.007644 27O 1s -0.028633 -0.003427 0.001118 0.012727 0.007354 0.000491 27O 2s -0.099360 -0.011251 0.004982 0.043944 0.023124 0.002652 27O 3s 0.759749 0.058237 -0.081733 -0.311505 -0.102217 -0.053567 27O 4s -1.487850 0.069494 0.438779 0.540916 0.069206 0.194862 27O 5s 4.077911 0.254104 -0.042629 -2.220457 -1.070654 -0.139922 27O 1pz 0.011217 -0.112000 -0.160359 -0.055194 -0.093856 0.009633 27O 1px 0.096734 -0.036032 -0.055033 -0.086749 -0.006982 -0.016544 27O 1py -0.030694 -0.047400 -0.064586 0.111994 0.053117 0.011226 27O 2pz -0.038372 0.338363 0.527988 0.175685 0.358605 -0.086934 27O 2px -0.428036 -0.052978 -0.043626 0.452453 0.341884 -0.078219 27O 2py 0.143430 0.176931 0.247189 -0.382149 -0.263796 -0.018406 27O 3pz 0.374777 -0.050528 -0.170225 -0.463744 -0.167062 0.012726 27O 3px -0.837625 0.002385 0.062464 0.048757 0.259324 -0.028031 27O 3py -0.316681 -0.143921 -0.187126 0.642565 0.159625 -0.009430 27O 1dz2 0.001149 0.003466 0.002223 -0.002653 -0.008596 0.003132 27O 1dxz 0.003021 0.010928 0.013324 0.002104 0.019914 -0.016291 27O 1dyz -0.003039 -0.006488 -0.004095 0.007707 0.003573 -0.002933 27O 1dx2y2 -0.004332 0.001753 0.004152 0.005589 0.009833 0.001453 27O 1dxy -0.002338 0.007022 0.004963 0.001355 -0.010821 0.005461 27O 2dz2 -0.040648 -0.014656 -0.019628 0.063103 0.107108 -0.035987 27O 2dxz -0.042170 -0.201349 -0.311388 -0.079863 -0.259663 0.141342 27O 2dyz 0.003165 0.038156 0.086713 0.065725 0.122549 -0.073716 27O 2dx2y2 0.116895 -0.074495 -0.123892 -0.013849 -0.044342 0.045635 27O 2dxy 0.002194 -0.089198 -0.150847 0.120312 0.134068 -0.006511 27O 1f0 0.000086 0.007715 0.008394 0.009763 0.019339 -0.012688 27O 1f+1 0.022204 -0.012501 -0.024652 0.005465 0.010775 -0.018900 27O 1f-1 -0.004681 0.018956 0.018916 -0.005815 -0.027736 0.020531 27O 1f+2 0.010789 -0.016173 -0.013752 -0.010095 -0.029280 0.013628 27O 1f-2 0.017873 0.012432 0.024803 0.001051 0.028742 -0.012544 27O 1f+3 -0.005543 0.031734 0.044519 -0.022403 -0.040197 0.023648 27O 1f-3 0.003426 -0.008176 -0.015057 0.006228 0.009302 -0.019699 28O 1s 0.029825 0.003337 -0.011638 0.003209 -0.001490 -0.001586 28O 2s 0.103214 0.009861 -0.040476 0.010328 -0.005106 -0.006759 28O 3s -0.737778 -0.023413 0.304933 -0.055820 0.039097 0.078825 28O 4s 1.176823 -0.237940 -0.594033 -0.033105 -0.072864 -0.285079 28O 5s -4.532232 -0.226737 2.193978 -0.249891 0.244582 0.263410 28O 1pz -0.142502 0.125146 0.123340 0.132457 -0.009831 0.087508 28O 1px 0.048643 0.035150 -0.049250 0.067413 -0.020820 0.022282 28O 1py -0.084845 -0.116761 0.044927 -0.118451 -0.013980 0.004025 28O 2pz 0.689175 -0.212312 -0.447542 -0.341060 0.020256 -0.188014 28O 2px -0.447881 -0.293035 0.203023 -0.318295 0.074665 -0.142583 28O 2py 0.312800 0.394658 -0.152467 0.425135 0.048167 -0.023928 28O 3pz -0.064066 0.177532 0.446478 0.061551 0.010398 0.234316 28O 3px -0.999297 -0.087830 0.355589 0.027362 -0.020588 0.077193 28O 3py -0.459279 -0.042819 0.397492 -0.216417 0.058038 0.148258 28O 1dz2 -0.002806 -0.012679 0.002024 -0.012583 0.003132 -0.007047 28O 1dxz -0.005800 -0.004488 0.003520 0.000316 0.000497 -0.002583 28O 1dyz -0.007202 0.011253 0.004273 0.009878 0.000943 0.001835 28O 1dx2y2 0.003679 0.004034 -0.003155 0.003842 -0.000825 0.004142 28O 1dxy -0.008642 -0.013710 -0.000237 -0.013195 -0.002916 0.005629 28O 2dz2 -0.062078 0.216205 0.079876 0.304853 -0.040602 0.096866 28O 2dxz 0.111754 -0.032132 -0.054663 -0.053752 -0.024157 0.018373 28O 2dyz -0.121049 -0.163126 0.044198 -0.200510 -0.026212 0.060443 28O 2dx2y2 -0.040376 -0.066464 -0.008221 -0.079508 0.027550 -0.061651 28O 2dxy 0.038663 0.211363 -0.008332 0.250356 0.018356 -0.000418 28O 1f0 -0.016438 0.034024 0.002986 0.041751 -0.013003 0.040470 28O 1f+1 -0.006371 -0.023310 -0.005605 -0.024092 0.003851 -0.001818 28O 1f-1 -0.002999 -0.014027 -0.007641 -0.013732 -0.000482 0.003438 28O 1f+2 0.026747 0.023875 -0.003361 0.016013 0.002503 0.001966 28O 1f-2 0.007152 0.023391 0.002900 0.019749 0.003759 -0.001943 28O 1f+3 0.019578 0.007305 -0.004597 0.006812 -0.002098 0.013540 28O 1f-3 0.004735 0.005601 -0.008201 0.002618 0.006720 -0.014681 29O 1s -0.000355 0.000001 -0.009561 -0.004430 -0.012492 -0.006403 29O 2s -0.001132 0.000602 -0.034868 -0.016877 -0.050770 -0.023345 29O 3s 0.005361 -0.018375 0.304091 0.161377 0.554172 0.204611 29O 4s -0.000376 0.024014 -0.631671 -0.346924 -1.235674 -0.426232 29O 5s 0.023443 0.202434 0.644850 0.238456 0.267628 0.445351 29O 1pz -0.010433 0.005939 0.009655 -0.007220 -0.035346 0.008617 29O 1px -0.010021 -0.003683 -0.013192 0.002054 0.070297 -0.005125 29O 1py -0.004774 0.016118 -0.017411 -0.018304 -0.111439 -0.011319 29O 2pz -0.008466 -0.036129 -0.019340 0.021749 0.173087 -0.013824 29O 2px 0.015422 0.029311 0.015551 -0.026296 -0.290054 0.006921 29O 2py 0.006188 -0.061175 0.080012 0.086795 0.463339 0.047464 29O 3pz -0.121956 0.015899 -0.058205 0.089548 0.058851 0.054166 29O 3px -0.045070 -0.064857 -0.181114 -0.010180 -0.045795 -0.095607 29O 3py -0.020265 -0.022625 -0.176892 -0.133153 -0.046798 -0.108759 29O 1dz2 0.001143 -0.000782 -0.002745 0.007250 0.011227 -0.000888 29O 1dxz 0.000017 -0.001166 0.009969 -0.004139 0.002992 -0.001803 29O 1dyz 0.002627 -0.000491 -0.001298 -0.006416 -0.000492 -0.000353 29O 1dx2y2 0.000134 0.001142 0.002776 -0.002561 0.006334 -0.001606 29O 1dxy 0.001679 0.000752 0.006773 0.006851 -0.005629 0.001304 29O 2dz2 0.018259 0.020089 -0.039667 -0.012576 -0.127201 -0.021081 29O 2dxz -0.007169 -0.000044 0.004741 -0.033164 -0.091166 -0.022320 29O 2dyz 0.030027 0.011472 0.000961 -0.024799 -0.049389 0.001606 29O 2dx2y2 -0.002508 -0.001045 0.007876 -0.004182 0.052798 -0.005503 29O 2dxy 0.011395 -0.012156 0.046880 0.046111 0.135769 0.022533 29O 1f0 0.000520 0.001450 -0.010426 -0.007516 -0.023345 -0.005467 29O 1f+1 0.004626 0.000637 -0.000720 0.008270 0.008123 0.002475 29O 1f-1 -0.001209 0.003569 -0.011296 -0.006750 -0.027618 -0.006230 29O 1f+2 -0.003329 -0.000594 0.010482 -0.002953 0.007946 0.001182 29O 1f-2 -0.000683 -0.000315 -0.008436 -0.007551 -0.013406 -0.007521 29O 1f+3 0.001610 -0.001539 -0.001384 0.002615 0.008442 0.005502 29O 1f-3 0.000637 -0.000424 -0.001097 -0.004321 0.016524 0.004991 30O 1s -0.031582 0.004559 0.001051 0.013239 0.004912 0.005152 30O 2s -0.108656 0.014083 0.001914 0.046204 0.015600 0.018218 30O 3s 0.769696 -0.056985 0.039324 -0.359287 -0.118976 -0.125513 30O 4s -1.218467 -0.173282 -0.361689 0.693207 0.187475 0.163900 30O 5s 4.466150 -0.244018 -0.090962 -1.916652 -0.203419 -1.106816 30O 1pz 0.087235 -0.073592 -0.095456 -0.052060 0.105559 -0.077592 30O 1px -0.013493 -0.028447 -0.005551 0.045584 0.081689 -0.032613 30O 1py -0.098861 -0.132340 -0.190875 0.097739 -0.128240 0.095519 30O 2pz -0.499107 0.358383 0.473893 0.165802 -0.351793 0.344485 30O 2px 0.336024 -0.080226 -0.151719 -0.183256 -0.284831 0.019570 30O 2py 0.539404 0.252843 0.442262 -0.333057 0.374015 -0.318802 30O 3pz -0.124458 0.025372 -0.181696 -0.159261 0.264160 -0.247656 30O 3px 1.102892 -0.126784 0.010457 -0.330958 -0.091205 -0.288146 30O 3py -0.084586 -0.197630 -0.115333 0.373536 -0.396412 0.327424 30O 1dz2 -0.007162 0.011955 0.012258 -0.005556 -0.011097 0.008178 30O 1dxz 0.008783 -0.010165 -0.010958 -0.000949 0.001630 -0.004704 30O 1dyz -0.002901 -0.006432 -0.005445 0.005391 0.004420 0.005040 30O 1dx2y2 -0.002315 0.006009 0.009298 0.008750 0.011834 -0.007012 30O 1dxy -0.011257 -0.001528 -0.005372 0.003655 0.003588 -0.001918 30O 2dz2 -0.001754 -0.180794 -0.288753 0.062068 0.115986 -0.111869 30O 2dxz -0.100373 0.140430 0.211211 0.009423 0.001600 0.057525 30O 2dyz -0.150866 0.041996 0.055631 -0.006948 -0.182703 0.157499 30O 2dx2y2 -0.001993 -0.106267 -0.172859 -0.017366 -0.265480 0.111731 30O 2dxy 0.053710 0.112152 0.178405 -0.082715 -0.112019 0.054194 30O 1f0 0.018820 -0.009301 -0.016598 -0.007606 -0.020281 0.013552 30O 1f+1 -0.006283 0.008462 0.006278 -0.000148 -0.014284 0.021499 30O 1f-1 -0.004231 0.034039 0.042622 -0.004606 -0.000061 -0.011489 30O 1f+2 -0.020715 0.002674 0.004639 -0.006181 -0.022513 0.006029 30O 1f-2 -0.013372 0.012000 0.010025 0.003923 0.008652 0.004776 30O 1f+3 -0.000069 -0.022258 -0.035303 0.007613 -0.009918 0.008626 30O 1f-3 -0.024503 0.001750 -0.007605 -0.017343 -0.065672 0.042870 31O 1s -0.031534 0.003902 -0.001105 -0.013327 0.005802 -0.004851 31O 2s -0.108534 0.011873 -0.002077 -0.046483 0.018732 -0.017465 31O 3s 0.769395 -0.042204 -0.038833 0.361022 -0.139787 0.122017 31O 4s -1.218220 -0.189542 0.365079 -0.693996 0.211760 -0.172909 31O 5s 4.470564 -0.170346 0.092539 1.907357 -0.387716 1.125634 31O 1pz -0.089118 0.071166 -0.099135 -0.052710 -0.090869 -0.095540 31O 1px 0.012780 0.029627 -0.006366 0.045718 -0.075485 -0.043532 31O 1py 0.101242 0.130900 -0.192542 0.094044 0.112323 0.116554 31O 2pz 0.503136 -0.344051 0.487077 0.169467 0.287218 0.400913 31O 2px -0.333058 0.067685 -0.151269 -0.185047 0.281390 0.063072 31O 2py -0.544731 -0.255570 0.446309 -0.323015 -0.318644 -0.377371 31O 3pz 0.120880 -0.030527 -0.184997 -0.162224 -0.219558 -0.295757 31O 3px -1.104488 0.112720 0.010767 -0.328292 0.137295 -0.281160 31O 3py 0.090208 0.203108 -0.111670 0.370636 0.333135 0.400598 31O 1dz2 -0.007178 0.011929 -0.012720 0.005354 -0.009391 -0.009786 31O 1dxz 0.008644 -0.009821 0.011267 0.001160 0.000724 0.005025 31O 1dyz -0.003065 -0.006475 0.005580 -0.005311 0.005091 -0.004615 31O 1dx2y2 -0.002249 0.005555 -0.009459 -0.008910 0.010628 0.008948 31O 1dxy -0.011108 -0.001733 0.005521 -0.003587 0.003368 0.002564 31O 2dz2 -0.001098 -0.178424 0.295293 -0.058484 0.096342 0.128574 31O 2dxz -0.099689 0.135519 -0.215643 -0.012041 0.012679 -0.056039 31O 2dyz -0.151483 0.041099 -0.057389 0.006878 -0.154186 -0.185023 31O 2dx2y2 -0.003721 -0.101256 0.174039 0.020898 -0.244525 -0.151692 31O 2dxy 0.052801 0.112318 -0.182889 0.080124 -0.100753 -0.073093 31O 1f0 -0.018783 0.008865 -0.016872 -0.007642 0.017908 0.016751 31O 1f+1 0.006342 -0.008609 0.007083 -0.000084 0.010613 0.023566 31O 1f-1 0.004387 -0.033642 0.043642 -0.004092 0.001550 -0.011642 31O 1f+2 0.020516 -0.002452 0.004369 -0.006188 0.021126 0.009345 31O 1f-2 0.013531 -0.011541 0.010181 0.003968 -0.009402 0.003335 31O 1f+3 0.000251 0.021653 -0.035702 0.007133 0.008769 0.010534 31O 1f-3 0.024602 -0.002184 -0.007402 -0.017499 0.057678 0.052962 32O 1s -0.000183 0.000343 0.009721 0.004168 -0.013290 0.004643 32O 2s -0.000394 0.001828 0.035444 0.015886 -0.053616 0.016205 32O 3s -0.003378 -0.028669 -0.308975 -0.152085 0.577831 -0.126932 32O 4s 0.019822 0.044212 0.640512 0.327796 -1.284273 0.250688 32O 5s 0.024526 0.183631 -0.650246 -0.227068 0.330030 -0.390921 32O 1pz 0.009653 -0.005270 0.009725 -0.006082 0.029763 0.013197 32O 1px 0.011011 0.001879 -0.012875 0.001463 -0.069316 -0.015470 32O 1py 0.004161 -0.016851 -0.017969 -0.016972 0.111729 0.004012 32O 2pz 0.011520 0.035415 -0.019398 0.016368 -0.152399 -0.035486 32O 2px -0.020749 -0.025861 0.014613 -0.024806 0.290111 0.047914 32O 2py 0.000582 0.064293 0.081357 0.082295 -0.466286 -0.015852 32O 3pz 0.121414 -0.013223 -0.058126 0.088954 -0.068745 0.046271 32O 3px 0.041911 0.060184 -0.180133 -0.008832 0.060666 -0.083190 32O 3py 0.025643 0.015817 -0.179468 -0.130099 0.061159 -0.100421 32O 1dz2 0.000903 -0.000945 0.002777 -0.007278 0.011073 0.002244 32O 1dxz -0.000089 -0.001235 -0.009996 0.004151 0.002673 0.002180 32O 1dyz 0.002643 -0.000416 0.001029 0.006270 -0.000194 0.000441 32O 1dx2y2 -0.000063 0.001266 -0.002693 0.002568 0.006045 0.002619 32O 1dxy 0.001685 0.000462 -0.006869 -0.006977 -0.005192 -0.002201 32O 2dz2 0.019856 0.020564 0.040653 0.010326 -0.126097 0.003869 32O 2dxz -0.005644 -0.000204 -0.004557 0.033004 -0.096449 0.009555 32O 2dyz 0.031036 0.013486 0.000390 0.024264 -0.051258 -0.006651 32O 2dx2y2 -0.004239 -0.000863 -0.007284 0.004722 0.050405 0.013550 32O 2dxy 0.008202 -0.013119 -0.046955 -0.044802 0.137136 -0.003687 32O 1f0 -0.000960 -0.001631 -0.009993 -0.006681 0.022046 -0.002129 32O 1f+1 -0.004407 -0.000491 -0.000282 0.008463 -0.009665 0.001575 32O 1f-1 0.000878 -0.003937 -0.011864 -0.006700 0.028925 -0.002566 32O 1f+2 0.003374 0.000847 0.011205 -0.002818 -0.009519 0.000345 32O 1f-2 0.000376 0.000132 -0.008120 -0.007240 0.014304 -0.005779 32O 1f+3 -0.001515 0.001679 -0.001452 0.002335 -0.008489 0.004111 32O 1f-3 -0.000662 0.000254 -0.001172 -0.004689 -0.016893 0.002445 33O 1s 0.029726 0.003307 0.011674 -0.003219 -0.001801 0.001812 33O 2s 0.102890 0.009924 0.040594 -0.010397 -0.006368 0.007436 33O 3s -0.735465 -0.028344 -0.305774 0.057026 0.052961 -0.083279 33O 4s 1.171657 -0.204924 0.594971 0.027468 -0.119919 0.285539 33O 5s -4.526989 -0.252463 -2.192358 0.262355 0.288363 -0.250550 33O 1pz 0.142755 -0.113828 0.124112 0.132558 -0.002788 0.077875 33O 1px -0.048206 -0.034934 -0.048564 0.068839 0.017417 0.023128 33O 1py 0.085527 0.118227 0.042777 -0.124086 0.013798 -0.003942 33O 2pz -0.689111 0.192644 -0.449634 -0.344734 0.006339 -0.162296 33O 2px 0.446475 0.276532 0.200968 -0.320896 -0.052517 -0.141908 33O 2py -0.314740 -0.395134 -0.145935 0.442495 -0.046836 0.002238 33O 3pz 0.063922 -0.164728 0.443961 0.059744 -0.042596 0.198075 33O 3px 0.999466 0.091852 0.356810 0.026196 0.004786 0.093655 33O 3py 0.457109 0.045768 0.393486 -0.219761 -0.078815 0.123894 33O 1dz2 -0.002751 -0.012485 -0.001813 0.013085 0.002074 0.007236 33O 1dxz -0.005715 -0.004027 -0.003558 -0.000585 0.000124 0.002438 33O 1dyz -0.007258 0.010940 -0.004335 -0.010269 0.001181 -0.002102 33O 1dx2y2 0.003576 0.003729 0.003131 -0.003782 -0.000162 -0.003660 33O 1dxy -0.008546 -0.013380 0.000428 0.013669 -0.002102 -0.005008 33O 2dz2 -0.062095 0.205600 -0.082463 -0.310307 -0.025801 -0.089961 33O 2dxz 0.111029 -0.031632 0.055499 0.056738 -0.021654 -0.017399 33O 2dyz -0.121686 -0.159728 -0.041006 0.205914 -0.018930 -0.046206 33O 2dx2y2 -0.039415 -0.060985 0.008352 0.079717 0.018688 0.056157 33O 2dxy 0.039473 0.208131 0.005128 -0.259338 0.020119 -0.009423 33O 1f0 0.016305 -0.033200 0.003565 0.042704 0.007527 0.038759 33O 1f+1 0.006249 0.022062 -0.005799 -0.024619 -0.003478 -0.002224 33O 1f-1 0.002886 0.012692 -0.007720 -0.013325 0.000094 0.002030 33O 1f+2 -0.027010 -0.022948 -0.002995 0.016482 -0.002702 0.002457 33O 1f-2 -0.007102 -0.023435 0.003385 0.020972 -0.003644 0.000072 33O 1f+3 -0.019553 -0.007180 -0.004680 0.007156 0.000231 0.013623 33O 1f-3 -0.004699 -0.006302 -0.008118 0.003594 -0.004699 -0.014631 34O 1s -0.028555 -0.003753 -0.001078 -0.012550 0.007405 0.000702 34O 2s -0.099118 -0.012415 -0.004847 -0.043327 0.023485 0.001095 34O 3s 0.758153 0.068088 0.080837 0.307226 -0.111802 0.036489 34O 4s -1.483400 0.040898 -0.437839 -0.538075 0.107773 -0.183745 34O 5s 4.082595 0.309847 0.039412 2.190182 -1.076682 -0.004478 34O 1pz -0.012647 0.107501 -0.162939 -0.057159 0.090609 0.024585 34O 1px -0.097576 0.032176 -0.055708 -0.086428 0.009708 -0.015937 34O 1py 0.032019 0.049495 -0.065321 0.110623 -0.053999 0.003308 34O 2pz 0.042151 -0.323881 0.535509 0.181770 -0.338893 -0.143529 34O 2px 0.430171 0.060848 -0.042746 0.447617 -0.322493 -0.128147 34O 2py -0.146708 -0.182547 0.249925 -0.377013 0.261947 0.021147 34O 3pz -0.378576 0.035759 -0.172116 -0.463117 0.162821 0.033724 34O 3px 0.836711 -0.001704 0.059616 0.042412 -0.250568 -0.064909 34O 3py 0.319849 0.158062 -0.187092 0.637877 -0.153461 -0.030196 34O 1dz2 0.001128 0.003447 -0.002313 0.002604 -0.008115 -0.004830 34O 1dxz 0.002969 0.010706 -0.013578 -0.002241 0.017028 0.019364 34O 1dyz -0.003054 -0.006561 0.004249 -0.007607 0.003039 0.003337 34O 1dx2y2 -0.004250 0.001642 -0.004300 -0.005657 0.009930 0.000023 34O 1dxy -0.002557 0.006952 -0.005135 -0.001423 -0.009829 -0.007080 34O 2dz2 -0.040373 -0.015876 0.019972 -0.062753 0.098996 0.051272 34O 2dxz -0.040666 -0.193843 0.315698 0.083930 -0.233101 -0.180764 34O 2dyz 0.002600 0.035171 -0.087901 -0.066932 0.108909 0.091437 34O 2dx2y2 0.115693 -0.072526 0.125089 0.015601 -0.037946 -0.051560 34O 2dxy 0.002343 -0.090347 0.152753 -0.118790 0.130240 0.026082 34O 1f0 -0.000026 -0.007617 0.008796 0.009662 -0.016866 -0.015715 34O 1f+1 -0.021940 0.012142 -0.025265 0.005220 -0.007649 -0.020633 34O 1f-1 0.004952 -0.019004 0.019802 -0.005559 0.024071 0.024772 34O 1f+2 -0.011044 0.015760 -0.014305 -0.010207 0.026784 0.018331 34O 1f-2 -0.017967 -0.012164 0.025294 0.001541 -0.026253 -0.016886 34O 1f+3 0.005451 -0.031350 0.045324 -0.021729 0.035427 0.029681 34O 1f-3 -0.003133 0.007779 -0.015356 0.005948 -0.006039 -0.021135 35O 1s 0.027649 -0.001533 0.015671 0.001314 -0.005947 -0.004551 35O 2s 0.096065 -0.004935 0.055296 0.004020 -0.021516 -0.015354 35O 3s -0.730768 0.020389 -0.428474 -0.015761 0.186250 0.110901 35O 4s 1.381126 0.059819 0.813950 -0.092912 -0.447168 -0.237052 35O 5s -4.095853 0.099622 -2.270594 -0.027233 0.606157 0.458053 35O 1pz 0.042122 -0.044433 0.133555 0.062005 -0.013913 0.005498 35O 1px 0.079636 -0.036465 0.089246 0.038632 -0.008611 0.021519 35O 1py 0.067053 0.124179 0.104427 -0.160088 -0.025012 -0.061959 35O 2pz -0.157126 0.151411 -0.380781 -0.194256 0.035114 -0.025731 35O 2px -0.394987 0.201292 -0.362651 -0.202468 -0.013713 -0.056422 35O 2py -0.275110 -0.328445 -0.335244 0.473262 0.070597 0.250926 35O 3pz 0.476722 -0.122894 0.729451 0.111714 -0.153417 -0.043378 35O 3px -0.886897 -0.086014 -0.059992 0.050661 0.030785 0.232456 35O 3py -0.048587 0.027982 0.401790 -0.143220 -0.053302 -0.099366 35O 1dz2 -0.005156 -0.001710 -0.005073 0.005809 -0.002989 -0.002205 35O 1dxz -0.002692 -0.010174 -0.005777 0.007451 -0.000912 -0.003848 35O 1dyz -0.004536 0.001587 -0.009499 -0.000794 0.001340 0.002540 35O 1dx2y2 0.002319 -0.012678 0.004267 0.010145 0.002346 0.009182 35O 1dxy -0.000821 0.007425 -0.003525 -0.007036 -0.000743 -0.010896 35O 2dz2 0.065068 0.053400 0.002855 -0.065071 0.012887 -0.043450 35O 2dxz 0.033507 0.109524 -0.061301 -0.149047 -0.013328 -0.064059 35O 2dyz 0.007474 0.023884 -0.048695 -0.011179 0.015724 0.044402 35O 2dx2y2 -0.071096 0.181685 -0.025898 -0.235046 -0.027774 -0.138435 35O 2dxy -0.069026 -0.150704 -0.055469 0.212954 0.018841 0.151798 35O 1f0 -0.000635 -0.012808 -0.000315 0.016267 0.000647 -0.009149 35O 1f+1 -0.006192 -0.028105 0.006059 0.037354 -0.007938 -0.009826 35O 1f-1 -0.010377 -0.020992 0.005230 0.025981 -0.000376 0.002857 35O 1f+2 0.010408 -0.027579 0.006350 0.036045 0.000317 0.003943 35O 1f-2 -0.015780 -0.006360 -0.002242 -0.008601 -0.004005 -0.004118 35O 1f+3 0.008719 0.029639 0.004160 -0.025350 -0.003895 -0.021091 35O 1f-3 0.019553 0.004782 0.001400 -0.015288 0.002508 0.007339 552 553 554 555 556 557 3.67829 3.69438 3.70204 3.71010 3.73302 3.74399 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s -0.004813 -0.002620 0.001623 0.000589 -0.000700 0.000831 0Rh 2s 0.042303 0.022443 -0.009715 -0.002889 0.005646 -0.006832 0Rh 3s -0.003153 -0.002072 0.003806 0.001768 -0.000764 0.000831 0Rh 4s -0.231503 -0.122924 0.053553 0.016143 -0.031010 0.037525 0Rh 5s 0.510805 0.268879 -0.101097 -0.028755 0.066663 -0.081111 0Rh 6s -0.448300 -0.222575 0.013235 -0.004992 -0.049129 0.061291 0Rh 7s 0.331154 -0.097224 0.467507 -0.055973 -0.098536 0.083308 0Rh 8s 0.210451 0.193688 -0.150599 -0.523417 0.132546 -0.066586 0Rh 1pz -0.003805 0.003271 0.003345 0.002273 0.003300 -0.003295 0Rh 1px 0.003000 -0.000361 -0.007038 -0.002691 -0.000079 -0.000791 0Rh 1py 0.000343 0.002929 -0.003015 0.001558 0.002930 0.004341 0Rh 2pz 0.014334 -0.011907 -0.013182 -0.009021 -0.012613 0.012474 0Rh 2px -0.011918 0.001226 0.027650 0.010914 0.000146 0.003107 0Rh 2py -0.001260 -0.011107 0.011796 -0.005979 -0.011084 -0.016702 0Rh 3pz -0.022930 0.009720 0.032919 0.024579 0.023544 -0.021096 0Rh 3px 0.032356 0.001537 -0.067552 -0.034649 0.003041 -0.007782 0Rh 3py 0.001031 0.018995 -0.028173 0.012440 0.018684 0.033507 0Rh 4pz -0.021319 0.060091 -0.027800 -0.032595 0.007242 -0.013438 0Rh 4px -0.039543 -0.021013 0.053830 0.062529 -0.014600 0.008673 0Rh 4py 0.007576 0.012908 0.022076 -0.006310 0.011050 -0.000463 0Rh 5pz 0.069901 -0.138449 0.013643 0.052673 -0.055989 0.038642 0Rh 5px 0.047345 0.067069 -0.031594 -0.128569 0.028459 -0.021201 0Rh 5py -0.011834 -0.047087 -0.009707 -0.000271 -0.025949 -0.053159 0Rh 6pz 0.166963 -0.530696 -0.019325 -0.284109 0.118812 0.598395 0Rh 6px 0.055567 -0.413631 0.510108 1.308023 0.010360 0.319900 0Rh 6py -0.568159 -0.491722 -0.175132 0.509976 -0.657273 0.083055 0Rh 1dz2 -0.012742 0.029938 -0.027136 -0.023046 0.046343 -0.048627 0Rh 1dxz 0.040477 -0.067911 0.019407 -0.006002 0.033855 0.082144 0Rh 1dyz 0.019125 0.006921 0.016053 0.011489 0.000563 0.007158 0Rh 1dx2y2 0.011360 -0.036121 -0.039935 -0.019998 0.074148 0.024029 0Rh 1dxy -0.036840 -0.034855 -0.002877 0.023502 -0.081870 0.020611 0Rh 2dz2 -0.002359 0.003663 -0.005632 -0.001871 0.007528 -0.007527 0Rh 2dxz 0.003723 -0.010500 0.000266 0.000820 0.006108 0.012729 0Rh 2dyz 0.002288 0.002129 0.001842 0.002794 0.001158 0.000687 0Rh 2dx2y2 0.003428 -0.004169 -0.003101 -0.006016 0.012264 0.003451 0Rh 2dxy -0.005534 -0.003169 0.000989 0.002346 -0.011981 0.003979 0Rh 3dz2 0.056342 -0.123367 0.122883 0.090690 -0.201003 0.209416 0Rh 3dxz -0.160738 0.290611 -0.070161 0.017564 -0.149573 -0.354289 0Rh 3dyz -0.078364 -0.034370 -0.065568 -0.054157 -0.007604 -0.029023 0Rh 3dx2y2 -0.056516 0.147519 0.156307 0.099278 -0.322418 -0.102259 0Rh 3dxy 0.156143 0.138863 0.005613 -0.094640 0.349123 -0.092468 0Rh 4dz2 -0.077502 0.148095 -0.170712 -0.096814 0.261110 -0.272241 0Rh 4dxz 0.179531 -0.372885 0.061400 -0.005480 0.198840 0.462621 0Rh 4dyz 0.092703 0.049039 0.075143 0.082353 0.022029 0.036144 0Rh 4dx2y2 0.090500 -0.173040 -0.167095 -0.154275 0.422347 0.131088 0Rh 4dxy -0.193948 -0.159122 0.007375 0.108033 -0.447103 0.126861 0Rh 5dz2 0.093873 -0.053813 0.187515 -0.030603 -0.168820 0.200744 0Rh 5dxz -0.026799 0.289940 0.108946 -0.050071 -0.149028 -0.351683 0Rh 5dyz -0.047302 0.029424 0.009431 -0.147930 -0.060044 -0.036746 0Rh 5dx2y2 -0.166200 0.068496 -0.058771 0.189792 -0.309796 -0.095837 0Rh 5dxy 0.108503 0.081831 -0.086819 -0.030513 0.320632 -0.118269 0Rh 1f0 -0.017751 0.004110 -0.001604 0.011793 -0.013487 -0.012613 0Rh 1f+1 0.008457 0.010436 0.001487 -0.007513 -0.019055 -0.020219 0Rh 1f-1 0.005009 -0.012106 -0.001610 -0.002612 -0.011869 0.010809 0Rh 1f+2 0.003338 0.012896 -0.005174 -0.020181 -0.006631 0.006349 0Rh 1f-2 0.008854 -0.010339 -0.001854 -0.002732 0.007597 0.000045 0Rh 1f+3 0.015235 0.003050 0.007689 -0.017080 -0.004920 0.008351 0Rh 1f-3 0.019587 0.003487 -0.003189 -0.001920 0.017181 -0.016613 1Rh 1s -0.004753 -0.002905 -0.001223 -0.000630 -0.000651 0.000776 1Rh 2s 0.042045 0.023984 0.006469 0.003249 0.005334 -0.006429 1Rh 3s -0.002951 -0.002838 -0.003381 -0.001794 -0.000662 0.000751 1Rh 4s -0.230072 -0.131434 -0.035755 -0.018115 -0.029285 0.035305 1Rh 5s 0.508619 0.284070 0.062903 0.033118 0.063266 -0.076473 1Rh 6s -0.450576 -0.220173 0.014866 0.001153 -0.048011 0.058464 1Rh 7s 0.355386 -0.187862 -0.413999 0.059042 -0.096156 0.080215 1Rh 8s 0.201662 0.223748 0.114090 0.523901 0.114905 -0.058649 1Rh 1pz 0.003715 -0.002384 0.004194 0.002288 -0.003636 0.003382 1Rh 1px -0.002619 -0.001032 -0.007139 -0.002657 0.000241 0.000697 1Rh 1py -0.000159 -0.003723 -0.002431 0.001496 -0.003015 -0.004516 1Rh 2pz -0.013983 0.008441 -0.016299 -0.009084 0.013918 -0.012817 1Rh 2px 0.010428 0.004249 0.027997 0.010782 -0.000804 -0.002731 1Rh 2py 0.000545 0.014208 0.009568 -0.005743 0.011413 0.017377 1Rh 3pz 0.022161 -0.001628 0.036048 0.024783 -0.026467 0.021935 1Rh 3px -0.028784 -0.014888 -0.067291 -0.034373 -0.000989 0.006721 1Rh 3py 0.000590 -0.026301 -0.024076 0.011982 -0.019414 -0.034865 1Rh 4pz 0.021588 -0.065321 -0.014675 -0.033009 -0.005631 0.012775 1Rh 4px 0.036855 0.031566 0.048917 0.062435 0.011253 -0.007308 1Rh 4py -0.008497 -0.007534 0.023336 -0.006281 -0.010754 0.000601 1Rh 5pz -0.069712 0.139070 -0.017776 0.053551 0.056082 -0.038302 1Rh 5px -0.045655 -0.073676 -0.015622 -0.128676 -0.022677 0.019305 1Rh 5py 0.011468 0.045729 -0.016868 0.000002 0.026461 0.054819 1Rh 6pz -0.145932 0.519646 -0.137655 -0.277902 -0.120714 -0.601926 1Rh 6px -0.086392 0.543825 0.392943 1.310270 -0.065646 -0.299243 1Rh 6py 0.581195 0.426578 -0.239495 0.510810 0.636133 -0.089824 1Rh 1dz2 -0.010122 0.028825 0.020105 0.022416 0.048231 -0.049780 1Rh 1dxz 0.042477 -0.073226 -0.002768 0.007384 0.039276 0.081004 1Rh 1dyz 0.018743 0.005911 -0.016477 -0.010744 -0.004251 0.007341 1Rh 1dx2y2 0.012202 -0.032154 0.047386 0.021086 0.077213 0.022543 1Rh 1dxy -0.036908 -0.033128 0.008340 -0.024548 -0.081542 0.022953 1Rh 2dz2 -0.002027 0.003783 0.004686 0.001789 0.007831 -0.007681 1Rh 2dxz 0.003902 -0.010770 0.002144 -0.000597 0.006931 0.012582 1Rh 2dyz 0.002217 0.002103 -0.002164 -0.002636 0.000244 0.000763 1Rh 2dx2y2 0.003720 -0.004177 0.004086 0.006197 0.012650 0.003213 1Rh 2dxy -0.005431 -0.003272 -0.000505 -0.002474 -0.012063 0.004309 1Rh 3dz2 0.045513 -0.119984 -0.093462 -0.088064 -0.209146 0.214275 1Rh 3dxz -0.168660 0.310728 -0.000358 -0.023528 -0.172819 -0.349514 1Rh 3dyz -0.076700 -0.030675 0.068555 0.050771 0.013985 -0.030051 1Rh 3dx2y2 -0.060866 0.133510 -0.187389 -0.104003 -0.335170 -0.095832 1Rh 3dxy 0.155893 0.133225 -0.027360 0.098970 0.348377 -0.102414 1Rh 4dz2 -0.064532 0.146669 0.134312 0.093519 0.271062 -0.278230 1Rh 4dxz 0.188158 -0.392614 0.027727 0.013172 0.228575 0.456735 1Rh 4dyz 0.090809 0.045795 -0.080458 -0.077776 -0.009054 0.038199 1Rh 4dx2y2 0.097641 -0.161565 0.205168 0.160445 0.437585 0.122811 1Rh 4dxy -0.192314 -0.155846 0.017737 -0.113352 -0.448190 0.139483 1Rh 5dz2 0.088150 -0.067378 -0.168229 0.033859 -0.164875 0.202191 1Rh 5dxz -0.024497 0.270039 -0.170430 0.044894 -0.166568 -0.349434 1Rh 5dyz -0.050476 0.022873 -0.016448 0.146636 -0.006358 -0.043959 1Rh 5dx2y2 -0.180014 0.093705 0.035032 -0.194328 -0.312581 -0.090517 1Rh 5dxy 0.098380 0.102078 0.070796 0.034418 0.338379 -0.126536 1Rh 1f0 0.017566 -0.004081 0.000031 0.012161 0.013143 0.012774 1Rh 1f+1 -0.008263 -0.009587 0.003413 -0.006992 0.018031 0.020367 1Rh 1f-1 -0.004817 0.011462 -0.004200 -0.002528 0.011686 -0.010610 1Rh 1f+2 -0.003380 -0.013971 -0.002899 -0.020301 0.007335 -0.006376 1Rh 1f-2 -0.008068 0.008669 -0.003810 -0.002999 -0.007798 -0.000117 1Rh 1f+3 -0.015162 -0.001721 0.007366 -0.016878 0.005704 -0.008324 1Rh 1f-3 -0.019189 -0.004833 -0.002868 -0.002125 -0.016922 0.016117 2C 1s 0.001075 0.001757 -0.000952 0.000559 0.002072 -0.001144 2C 2s 0.001850 0.006337 -0.001653 0.001690 0.005907 -0.003104 2C 3s -0.019444 -0.119535 -0.014622 -0.000114 -0.041976 0.021770 2C 4s -0.007267 0.527272 0.144067 -0.120979 0.161445 -0.024743 2C 5s 0.006799 -0.302341 -0.276586 -0.268169 0.033040 -0.111029 2C 1pz -0.021283 -0.050320 -0.004688 -0.009787 0.008949 0.000609 2C 1px -0.039101 0.054017 0.046582 -0.001315 0.028226 0.005184 2C 1py -0.049947 0.051420 0.055363 0.018655 -0.036305 0.029575 2C 2pz 0.029518 0.116408 -0.274040 -0.086346 0.596440 -0.343578 2C 2px 0.172214 -0.179769 0.065828 -0.044299 -0.348192 0.238148 2C 2py -0.073695 0.456483 0.345789 0.078769 -0.366755 0.280793 2C 3pz 0.015760 -0.039086 -0.003993 -0.091824 -0.085419 0.014898 2C 3px 0.030051 -0.038404 -0.092198 0.019564 0.003860 -0.032928 2C 3py 0.036019 -0.132459 -0.096328 -0.052191 0.111582 -0.046115 2C 1dz2 -0.035132 0.033084 0.055154 0.043417 -0.132111 0.090621 2C 1dxz -0.144891 0.273863 0.144531 0.070152 0.013008 -0.009019 2C 1dyz -0.049590 -0.013697 0.035669 -0.024128 -0.011710 0.032443 2C 1dx2y2 -0.026788 0.116094 0.148793 0.016329 -0.199438 0.144514 2C 1dxy -0.010689 -0.072410 -0.095891 -0.055034 0.291802 -0.156444 2C 2dz2 0.007592 0.080689 -0.122515 -0.040535 0.313358 -0.204552 2C 2dxz 0.323343 -0.518776 -0.280854 -0.067586 -0.281712 0.100874 2C 2dyz 0.035325 0.189982 0.051675 0.036536 0.028360 -0.001379 2C 2dx2y2 -0.070097 0.074355 0.053309 0.029628 0.084400 -0.037467 2C 2dxy 0.177504 -0.246957 -0.139617 -0.010815 -0.229658 0.070934 2C 1f0 -0.096947 0.151782 0.052078 0.016724 0.195548 -0.082150 2C 1f+1 0.053859 -0.020526 -0.013562 0.047543 -0.204070 0.094496 2C 1f-1 0.035606 0.053894 0.044730 0.012561 -0.039611 0.024997 2C 1f+2 0.009308 -0.041650 0.057450 0.007036 -0.063536 0.071532 2C 1f-2 0.147536 -0.321746 -0.190455 -0.061828 -0.033334 -0.017053 2C 1f+3 0.166921 -0.254673 -0.254426 -0.057515 0.063469 -0.097109 2C 1f-3 -0.034734 0.048243 0.013716 -0.008094 0.161269 -0.071836 3C 1s 0.001046 0.001383 -0.000248 -0.000843 -0.001362 -0.000362 3C 2s 0.002211 0.004401 0.000376 -0.001897 -0.003022 -0.001701 3C 3s -0.023149 -0.105616 -0.042313 -0.019126 -0.034404 0.040220 3C 4s 0.048917 0.419788 0.217638 0.193548 0.186157 -0.235409 3C 5s 0.053871 -0.679586 -0.630511 -0.086557 -0.241231 0.343527 3C 1pz -0.021898 -0.020082 0.021362 0.002110 0.012993 0.029540 3C 1px -0.055012 -0.014353 0.056590 0.030749 0.007016 -0.011157 3C 1py 0.013888 0.048258 0.008943 0.002265 0.023470 0.014076 3C 2pz -0.075200 0.193062 0.150011 -0.039632 0.085682 0.017715 3C 2px -0.061924 0.228473 0.176189 0.023666 0.393530 0.788705 3C 2py -0.115679 -0.275603 0.058547 -0.045401 0.170194 0.547609 3C 3pz 0.010118 -0.040793 -0.099216 0.010624 -0.091138 0.011595 3C 3px 0.040774 -0.058482 -0.175647 -0.025444 -0.085575 -0.046063 3C 3py -0.021776 0.133086 0.101704 -0.004817 -0.018416 -0.122807 3C 1dz2 0.016868 0.004183 -0.004464 -0.011870 0.058055 0.080917 3C 1dxz 0.063476 -0.055499 -0.079178 -0.018562 -0.183394 -0.356533 3C 1dyz 0.001691 0.035582 0.048748 0.005456 0.019321 -0.027641 3C 1dx2y2 0.073757 -0.004995 -0.073223 0.007733 -0.102373 -0.201640 3C 1dxy 0.092876 0.016962 -0.128605 -0.032128 0.003676 0.071376 3C 2dz2 -0.094555 -0.025890 0.079983 0.002835 -0.033314 -0.011829 3C 2dxz 0.119109 0.073501 -0.170194 -0.101145 0.098293 0.302384 3C 2dyz 0.044387 -0.173266 -0.134103 -0.038260 0.023128 0.202024 3C 2dx2y2 -0.062613 -0.068242 0.045454 -0.026066 0.112284 0.324697 3C 2dxy -0.155784 -0.135965 0.174490 0.086843 -0.142762 -0.399432 3C 1f0 -0.118010 -0.034052 0.123343 0.021639 0.056521 0.115991 3C 1f+1 0.005893 -0.017032 0.015349 -0.011521 -0.097041 -0.196409 3C 1f-1 0.024432 -0.025201 -0.044630 -0.023711 -0.029805 0.004897 3C 1f+2 0.077603 -0.030962 -0.126636 -0.073907 -0.020173 0.053174 3C 1f-2 -0.104015 0.008249 0.158037 0.058150 -0.021771 -0.005150 3C 1f+3 0.040346 0.071580 -0.040319 -0.063656 0.092537 0.268010 3C 1f-3 0.077704 -0.025623 -0.112809 -0.055912 0.045983 0.153406 4C 1s 0.002839 -0.004259 -0.005195 0.002427 -0.001000 -0.002053 4C 2s 0.010211 -0.011308 -0.014674 0.005455 -0.002629 -0.005793 4C 3s -0.071906 -0.035064 0.074744 0.009443 -0.044436 0.049430 4C 4s -0.139811 0.775135 0.256149 -0.189664 0.288837 -0.071565 4C 5s -0.329806 0.891115 0.166211 0.219810 0.276635 -0.095382 4C 1pz 0.058917 -0.069035 -0.052784 -0.022738 0.018100 -0.036479 4C 1px 0.049689 -0.068632 -0.051482 0.034650 -0.052057 0.042496 4C 1py 0.052749 -0.039400 -0.043198 0.014096 -0.064288 0.015198 4C 2pz 0.043697 0.397175 -0.055116 -0.052267 -0.000990 0.006226 4C 2px -0.446589 1.030808 0.861734 -0.077009 0.397017 0.034270 4C 2py -0.124460 0.431488 0.226603 -0.142294 0.494869 -0.113590 4C 3pz -0.105130 0.263437 -0.064697 -0.241510 0.238920 -0.088692 4C 3px -0.032112 -0.112119 0.033090 -0.105532 0.029712 -0.016604 4C 3py -0.057787 0.147955 -0.045852 -0.217171 0.043722 -0.073438 4C 1dz2 -0.026234 0.039718 0.074026 0.002087 0.020095 0.014487 4C 1dxz 0.004165 -0.073574 -0.049661 0.002482 -0.002898 0.012040 4C 1dyz -0.019298 0.073665 0.033752 -0.001743 0.022631 -0.007023 4C 1dx2y2 -0.002041 0.064950 0.063555 -0.020747 0.036573 0.009694 4C 1dxy 0.002229 0.035103 0.006691 -0.020784 -0.010599 0.023520 4C 2dz2 -0.087136 0.000395 -0.204691 0.054316 0.164065 -0.209175 4C 2dxz 0.278827 -0.380229 0.081600 0.060996 -0.523429 0.284283 4C 2dyz -0.023549 -0.014865 0.118472 0.018597 -0.114036 0.102842 4C 2dx2y2 -0.008463 0.155775 -0.043909 -0.045785 0.015886 0.022087 4C 2dxy 0.235550 -0.366610 -0.108685 -0.056845 -0.117806 0.032081 4C 1f0 -0.012560 -0.039420 -0.051192 -0.033644 0.130959 -0.098796 4C 1f+1 0.046569 -0.111992 0.020755 0.052125 -0.152950 0.092481 4C 1f-1 -0.068116 0.098333 0.094695 0.015327 -0.113367 0.084447 4C 1f+2 0.069566 -0.031425 -0.081055 -0.001625 -0.162562 0.055502 4C 1f-2 0.080076 -0.120991 -0.138210 -0.000780 -0.010483 -0.057264 4C 1f+3 0.145623 -0.382456 -0.286733 -0.073111 0.174710 -0.145775 4C 1f-3 0.118843 -0.213128 -0.253546 0.030619 -0.170378 -0.033292 5C 1s 0.001295 0.001312 -0.003038 -0.004012 0.000735 0.001627 5C 2s 0.005926 0.004075 -0.009333 -0.010242 0.001888 0.004599 5C 3s -0.088007 0.036031 0.082558 0.046003 0.042466 -0.027509 5C 4s 0.126924 -0.444230 0.007451 0.148270 -0.216632 -0.009012 5C 5s -0.081597 -0.402867 0.583156 0.003483 -0.245334 -0.045582 5C 1pz 0.022110 0.016238 -0.019195 -0.008718 0.009284 0.014208 5C 1px 0.023799 -0.016577 -0.058795 0.012739 0.057948 0.091545 5C 1py -0.046418 -0.020933 0.054142 0.019863 0.018845 0.001170 5C 2pz 0.137471 0.139254 -0.169693 0.023093 -0.132361 -0.115894 5C 2px -0.287411 0.186758 0.877051 0.180260 -0.041140 -0.617288 5C 2py -0.066957 -0.273811 -0.062935 -0.126799 -0.104148 0.050769 5C 3pz 0.028540 -0.547125 -0.158559 0.010801 -0.134611 0.149696 5C 3px 0.158231 -0.277143 -0.078584 0.001938 -0.102241 0.136303 5C 3py -0.053351 0.818564 0.313003 -0.076468 0.397170 -0.252412 5C 1dz2 -0.001714 -0.031907 -0.023548 0.004976 0.006796 -0.012085 5C 1dxz 0.008184 -0.025373 -0.017112 -0.016237 0.025888 0.026481 5C 1dyz 0.007112 -0.032999 -0.060987 -0.065050 -0.017955 0.048079 5C 1dx2y2 0.030830 0.006441 -0.018214 0.019832 0.030646 -0.012741 5C 1dxy -0.009752 0.017298 0.037239 0.035397 -0.003736 0.009209 5C 2dz2 -0.118849 0.084133 0.122388 -0.037495 0.006153 -0.035992 5C 2dxz 0.064410 -0.009799 -0.078946 -0.110234 0.016328 0.190807 5C 2dyz 0.043374 0.178186 0.059662 0.055285 0.178680 0.112121 5C 2dx2y2 0.062463 0.102179 0.043406 -0.045508 0.044231 0.243916 5C 2dxy -0.055575 -0.021421 -0.135624 0.022866 -0.307610 -0.646080 5C 1f0 -0.083536 0.042183 0.192282 0.046101 0.126952 0.108356 5C 1f+1 0.105880 -0.049022 -0.244466 -0.055785 0.007115 -0.004553 5C 1f-1 0.069334 -0.022967 -0.087581 -0.014196 0.007217 -0.060974 5C 1f+2 0.112701 -0.008605 -0.184750 -0.088760 -0.118545 -0.022144 5C 1f-2 -0.013947 0.018973 -0.024098 0.009241 0.070456 0.150586 5C 1f+3 -0.005616 0.003105 -0.042890 -0.029994 0.122514 0.276094 5C 1f-3 0.037643 0.008304 -0.019040 0.043471 0.057935 0.055193 6C 1s 0.001100 0.001959 0.002844 0.004034 0.000967 0.001712 6C 2s 0.005320 0.006156 0.008782 0.010310 0.002523 0.004885 6C 3s -0.081182 0.010915 -0.091602 -0.043706 0.042606 -0.030391 6C 4s 0.120323 -0.409872 0.075210 -0.166903 -0.244185 -0.007409 6C 5s -0.052371 -0.536107 -0.505977 -0.026537 -0.263335 -0.048662 6C 1pz -0.020716 -0.020963 -0.017027 -0.008884 -0.010724 -0.016602 6C 1px -0.020469 0.004323 -0.062911 0.010784 -0.065099 -0.092614 6C 1py 0.043020 0.034760 0.052492 0.020466 -0.016344 -0.000280 6C 2pz -0.124065 -0.181718 -0.138574 0.023578 0.144511 0.114284 6C 2px 0.226755 0.006518 0.923125 0.183372 0.093014 0.619212 6C 2py 0.069416 0.255534 -0.129515 -0.127514 0.077264 -0.030684 6C 3pz -0.010560 0.477624 -0.268454 0.026018 0.139774 -0.151085 6C 3px -0.142694 0.237504 -0.144959 0.016217 0.112394 -0.137371 6C 3py 0.022156 -0.701970 0.480006 -0.102489 -0.410107 0.255463 6C 1dz2 -0.004111 -0.026460 0.030939 -0.005274 0.010985 -0.013564 6C 1dxz 0.004197 -0.018932 0.022480 0.016355 0.028311 0.026738 6C 1dyz 0.002689 -0.018165 0.068459 0.064982 -0.014147 0.048859 6C 1dx2y2 0.029540 0.010812 0.017042 -0.019275 0.033816 -0.012350 6C 1dxy -0.006482 0.009213 -0.039625 -0.034834 -0.007432 0.010273 6C 2dz2 -0.106995 0.051412 -0.145591 0.037339 -0.004488 -0.030915 6C 2dxz 0.066875 -0.001912 0.091806 0.115429 0.035927 0.179142 6C 2dyz 0.048492 0.158304 -0.091307 -0.047989 0.179564 0.115782 6C 2dx2y2 0.065450 0.096976 -0.059647 0.049041 0.029445 0.254021 6C 2dxy -0.073978 0.020011 0.120096 -0.035049 -0.320009 -0.649995 6C 1f0 0.067118 0.006442 0.199931 0.043942 -0.121995 -0.116177 6C 1f+1 -0.085493 -0.007203 -0.255175 -0.054563 -0.022030 0.007414 6C 1f-1 -0.059647 -0.000424 -0.093067 -0.013237 -0.014735 0.063603 6C 1f+2 -0.097802 -0.038804 -0.190062 -0.088537 0.109464 0.026335 6C 1f-2 0.012631 -0.019479 -0.018609 0.008466 -0.066063 -0.157758 6C 1f+3 0.006726 -0.008035 -0.044826 -0.033248 -0.128684 -0.284044 6C 1f-3 -0.034469 -0.012201 -0.017692 0.043008 -0.060345 -0.058964 7C 1s 0.002791 -0.003379 0.006124 -0.002434 -0.001560 -0.001914 7C 2s 0.010090 -0.008803 0.017221 -0.005450 -0.004331 -0.005419 7C 3s -0.072308 -0.048013 -0.069886 -0.012790 -0.032291 0.048993 7C 4s -0.130022 0.728512 -0.414076 0.209704 0.307765 -0.084544 7C 5s -0.339219 0.856342 -0.361710 -0.199664 0.324681 -0.108497 7C 1pz -0.060078 0.061220 -0.068708 -0.022810 -0.010797 0.036231 7C 1px -0.048410 0.059215 -0.068420 0.034650 0.057882 -0.043879 7C 1py -0.051843 0.029876 -0.053554 0.014890 0.075025 -0.018953 7C 2pz -0.025784 -0.418591 0.038147 -0.051014 0.011881 -0.002100 7C 2px 0.415850 -0.848266 1.067545 -0.081473 -0.458339 -0.013219 7C 2py 0.115667 -0.372626 0.321145 -0.148941 -0.536669 0.142153 7C 3pz 0.099502 -0.277356 -0.010177 -0.271717 -0.214267 0.086597 7C 3px 0.026347 0.111097 0.014652 -0.107241 -0.024087 0.017852 7C 3py 0.054087 -0.156921 -0.014976 -0.235829 -0.029602 0.071942 7C 1dz2 -0.022733 0.022343 -0.081586 -0.002210 0.024954 0.013997 7C 1dxz 0.002188 -0.063089 0.062531 -0.002418 -0.009959 0.013872 7C 1dyz -0.020269 0.069129 -0.050660 0.002346 0.030017 -0.009701 7C 1dx2y2 -0.000228 0.051168 -0.074843 0.020654 0.038403 0.008168 7C 1dxy 0.002151 0.033685 -0.014120 0.019677 -0.011657 0.024508 7C 2dz2 -0.100423 0.049691 0.190677 -0.054300 0.183486 -0.213015 7C 2dxz 0.291928 -0.396327 0.030984 -0.064495 -0.546586 0.297650 7C 2dyz -0.014720 -0.042096 -0.104571 -0.018692 -0.119837 0.113707 7C 2dx2y2 -0.012335 0.170320 0.008928 0.049171 0.008189 0.019799 7C 2dxy 0.238123 -0.345213 0.197060 0.061319 -0.134104 0.026486 7C 1f0 0.014449 0.031550 -0.054587 -0.035168 -0.145019 0.107969 7C 1f+1 -0.052559 0.120064 -0.008517 0.054079 0.171270 -0.103678 7C 1f-1 0.067583 -0.082803 0.112268 0.016723 0.112563 -0.089699 7C 1f+2 -0.062760 0.007258 -0.088121 0.000813 0.180624 -0.063470 7C 1f-2 -0.072644 0.085685 -0.155951 0.000340 0.016856 0.058948 7C 1f+3 -0.138811 0.329246 -0.355557 -0.075345 -0.175150 0.154815 7C 1f-3 -0.105749 0.153535 -0.294547 0.032711 0.186965 0.027492 8C 1s 0.001049 0.001396 -0.000000 0.000813 -0.001315 -0.000311 8C 2s 0.002295 0.004161 -0.001234 0.001819 -0.002978 -0.001543 8C 3s -0.025996 -0.092837 0.064822 0.018438 -0.029616 0.036491 8C 4s 0.058705 0.365307 -0.313088 -0.189590 0.150650 -0.218514 8C 5s 0.005558 -0.486292 0.773206 0.066968 -0.251485 0.351198 8C 1pz 0.020612 0.025801 0.017832 0.002447 -0.014044 -0.030026 8C 1px 0.049863 0.028158 0.054947 0.030739 -0.003899 0.011588 8C 1py -0.015671 -0.044200 0.018035 0.001607 -0.022723 -0.017249 8C 2pz 0.067297 -0.155879 0.201362 -0.037376 -0.073108 -0.043892 8C 2px 0.030754 -0.161921 0.211280 0.010031 -0.379676 -0.803832 8C 2py 0.104015 0.295914 -0.003125 -0.047288 -0.186810 -0.549066 8C 3pz -0.003030 0.015046 -0.109715 0.012162 0.096798 -0.010403 8C 3px -0.028223 0.014877 -0.185667 -0.023531 0.071349 0.048552 8C 3py 0.012638 -0.098078 0.130173 -0.007304 0.015251 0.127633 8C 1dz2 0.018105 0.004568 0.006767 0.013454 0.058641 0.079086 8C 1dxz 0.050109 -0.025687 0.087611 0.012994 -0.181426 -0.367145 8C 1dyz 0.004307 0.023158 -0.057308 -0.006933 0.018821 -0.023418 8C 1dx2y2 0.065477 0.018865 0.074196 -0.008644 -0.103020 -0.206866 8C 1dxy 0.084812 0.046431 0.130577 0.034432 0.011403 0.068791 8C 2dz2 -0.087712 -0.044946 -0.078681 -0.004287 -0.039159 -0.006825 8C 2dxz 0.108971 0.109283 0.162776 0.105802 0.106541 0.310112 8C 2dyz 0.034564 -0.137887 0.176496 0.039949 0.036028 0.194644 8C 2dx2y2 -0.054088 -0.088637 -0.028758 0.027739 0.118155 0.324200 8C 2dxy -0.149876 -0.168036 -0.159157 -0.095196 -0.154423 -0.407602 8C 1f0 0.107349 0.068267 0.120667 0.022402 -0.050833 -0.116914 8C 1f+1 -0.004976 0.013434 0.012141 -0.009494 0.101839 0.202396 8C 1f-1 -0.019711 0.012908 -0.049765 -0.023520 0.028347 -0.003581 8C 1f+2 -0.066935 0.000729 -0.135370 -0.073202 0.013014 -0.052534 8C 1f-2 0.089425 0.030262 0.160155 0.057750 0.028456 0.003522 8C 1f+3 -0.041417 -0.074419 -0.030216 -0.067686 -0.095414 -0.277016 8C 1f-3 -0.070429 -0.000239 -0.123356 -0.059074 -0.052935 -0.151801 9C 1s 0.001093 0.001854 0.000677 -0.000537 0.001823 -0.001159 9C 2s 0.001883 0.006413 0.000539 -0.001640 0.005394 -0.003193 9C 3s -0.018104 -0.114990 0.040152 -0.000145 -0.043309 0.024659 9C 4s -0.015748 0.499502 -0.268851 0.122381 0.183189 -0.042325 9C 5s 0.012759 -0.250119 0.344865 0.288131 -0.015578 -0.100713 9C 1pz 0.021552 0.047934 -0.012761 -0.009871 -0.013119 0.000534 9C 1px 0.037269 -0.043263 0.056457 -0.001876 -0.034912 -0.003013 9C 1py 0.048829 -0.041374 0.065494 0.018710 0.034273 -0.031680 9C 2pz -0.016964 -0.161394 -0.228682 -0.089081 -0.614811 0.374054 9C 2px -0.179882 0.200163 -0.010472 -0.046535 0.344808 -0.231085 9C 2py 0.067888 -0.391201 0.431873 0.084092 0.401281 -0.303338 9C 3pz -0.019447 0.039250 -0.015006 -0.094529 0.098373 -0.019916 9C 3px -0.027891 0.020480 -0.097053 0.018535 0.013175 0.028087 9C 3py -0.034915 0.111356 -0.121723 -0.056398 -0.102821 0.049271 9C 1dz2 -0.034022 0.025127 -0.057769 -0.044018 -0.141281 0.097576 9C 1dxz -0.144027 0.248793 -0.208154 -0.071744 0.017412 -0.004003 9C 1dyz -0.049280 -0.019442 -0.032909 0.023255 -0.006584 0.031306 9C 1dx2y2 -0.023441 0.092466 -0.166097 -0.019700 -0.214020 0.156661 9C 1dxy -0.014438 -0.053753 0.096093 0.057097 0.307253 -0.166767 9C 2dz2 0.002852 0.098587 0.094526 0.041843 0.328883 -0.218769 9C 2dxz 0.321235 -0.465460 0.404253 0.067465 -0.324618 0.107737 9C 2dyz 0.036761 0.175403 -0.087061 -0.037708 0.016840 -0.000607 9C 2dx2y2 -0.069594 0.061352 -0.069048 -0.027306 0.108842 -0.044538 9C 2dxy 0.174678 -0.216985 0.200118 0.009006 -0.250368 0.075328 9C 1f0 0.094453 -0.135381 0.087695 0.013950 -0.213924 0.089543 9C 1f+1 -0.049805 0.009106 -0.020074 0.050035 0.227503 -0.106539 9C 1f-1 -0.039129 -0.043330 0.051188 0.014328 0.049051 -0.028178 9C 1f+2 -0.014455 0.053135 0.042910 0.008029 0.071281 -0.076577 9C 1f-2 -0.144203 0.285504 -0.254680 -0.061965 0.043254 0.016869 9C 1f+3 -0.161112 0.206334 -0.305832 -0.057851 -0.048765 0.099975 9C 1f-3 0.028125 -0.034999 0.019793 -0.011030 -0.171840 0.080238 10H 1s 0.122373 -0.179432 -0.096322 -0.023306 -0.108172 0.035925 10H 2s 0.014363 -0.114265 -0.255437 -0.001150 0.259575 -0.208051 10H 3s 0.014181 0.027315 0.108525 -0.005268 -0.106547 0.098096 10H 1pz 0.007600 -0.013902 -0.096760 0.026001 0.052795 -0.069612 10H 1px 0.034671 -0.012414 0.046149 -0.016336 -0.129682 0.088439 10H 1py 0.036858 -0.110455 -0.113075 -0.027807 0.148060 -0.094730 11H 1s -0.034533 0.109524 0.060186 0.031851 -0.037934 0.025571 11H 2s 0.079136 -0.219361 -0.210052 -0.084200 0.369690 -0.200397 11H 3s -0.035290 0.126037 0.105204 0.024009 -0.134753 0.075053 11H 1pz 0.086193 -0.207362 -0.145143 -0.074312 0.153643 -0.091955 11H 1px 0.020105 -0.089020 -0.112244 -0.035914 0.175254 -0.099788 11H 1py 0.031050 -0.005376 -0.044269 0.001726 -0.018972 -0.026352 12H 1s 0.019377 -0.034848 -0.071749 -0.027491 0.128646 -0.079869 12H 2s -0.148668 0.436139 0.442144 0.148454 -0.431201 0.343331 12H 3s 0.042907 -0.122753 -0.129469 -0.042085 0.205266 -0.120059 12H 1pz 0.006137 0.042216 0.065730 0.023227 -0.074760 0.053741 12H 1px -0.078739 0.169227 0.153239 0.049519 -0.082721 0.080787 12H 1py -0.061078 0.189752 0.216655 0.068844 -0.307405 0.212233 13H 1s 0.060376 0.016143 -0.093875 -0.025679 0.035605 0.135371 13H 2s 0.122804 -0.042670 -0.175041 -0.144894 -0.219859 -0.325043 13H 3s -0.035806 0.047669 0.116726 0.072531 0.084890 0.122967 13H 1pz 0.065874 -0.029643 -0.085304 -0.053334 -0.139074 -0.226041 13H 1px 0.016668 0.010681 -0.019670 0.003536 0.033732 0.064269 13H 1py -0.037739 0.012616 0.064766 0.053045 0.042000 0.065514 14H 1s 0.035149 0.002489 -0.039081 -0.003773 -0.068816 -0.144467 14H 2s -0.210248 0.084946 0.302641 0.051066 0.251328 0.541037 14H 3s 0.066808 0.018487 -0.104080 -0.009535 -0.133480 -0.243434 14H 1pz -0.059400 0.028315 0.055709 0.015065 0.120032 0.256001 14H 1px -0.123168 0.044239 0.167001 0.015849 0.133632 0.268374 14H 1py 0.028332 -0.034984 -0.051364 -0.007297 -0.036586 -0.106131 15H 1s -0.031622 0.030359 0.048784 -0.006866 0.015104 0.039810 15H 2s 0.082292 -0.013291 -0.112790 0.019961 -0.190685 -0.287140 15H 3s -0.022787 0.019624 0.086807 0.015198 0.078851 0.074832 15H 1pz 0.018369 0.009165 0.002208 0.007265 0.061304 0.053454 15H 1px 0.036498 -0.018978 -0.057681 0.002510 -0.056731 -0.131292 15H 1py -0.072557 0.014855 0.107374 0.000382 0.102537 0.132660 16H 1s 0.358398 0.232887 0.115395 -0.426042 -0.020495 -0.061133 16H 2s 0.836179 0.586476 0.300232 -0.842691 -0.032169 -0.125368 16H 3s -0.208302 -0.242164 -0.070541 0.251965 -0.019707 0.110897 16H 1pz 0.669600 0.450331 0.211829 -0.757433 -0.020256 -0.093122 16H 1px 0.030750 0.034612 0.014508 -0.045818 0.012346 -0.009737 16H 1py 0.231073 0.168929 0.073525 -0.270284 -0.007458 -0.061044 17H 1s 0.369142 0.184345 0.099090 -0.454725 0.033280 0.070652 17H 2s 0.884781 0.477591 0.266912 -0.858249 0.102139 0.174498 17H 3s -0.282069 -0.074396 -0.084635 0.240929 -0.072276 -0.092718 17H 1pz -0.511914 -0.260920 -0.149546 0.565273 -0.054609 -0.082586 17H 1px -0.404118 -0.224368 -0.106752 0.453830 -0.033623 -0.068673 17H 1py 0.357830 0.177302 0.090709 -0.408139 0.052183 0.075563 18H 1s 0.370781 0.166703 -0.118199 0.455111 0.025006 0.071450 18H 2s 0.897255 0.413074 -0.312106 0.860962 0.087879 0.171217 18H 3s -0.284931 -0.054295 0.084000 -0.241404 -0.067494 -0.092956 18H 1pz 0.527097 0.233685 -0.178703 0.577265 0.044124 0.084362 18H 1px 0.408196 0.201782 -0.130508 0.455475 0.025379 0.068352 18H 1py -0.345337 -0.151770 0.102804 -0.393012 -0.043314 -0.073644 19H 1s 0.362960 0.211181 -0.146795 0.426052 -0.038126 -0.060300 19H 2s 0.850211 0.521750 -0.377918 0.839665 -0.061927 -0.128482 19H 3s -0.213236 -0.226030 0.110556 -0.252337 -0.011771 0.110713 19H 1pz -0.672991 -0.403683 0.269694 -0.749940 0.047167 0.092002 19H 1px -0.026975 -0.027813 0.017764 -0.040601 -0.013177 0.008849 19H 1py -0.249619 -0.164412 0.104248 -0.287262 0.020239 0.062826 20H 1s -0.026450 0.015344 -0.056112 0.006654 0.012655 0.043568 20H 2s 0.072948 0.018091 0.118320 -0.021267 -0.189014 -0.304130 20H 3s -0.016833 -0.002420 -0.092639 -0.013686 0.081032 0.079926 20H 1pz -0.018545 -0.008362 0.002720 0.006538 -0.063445 -0.055851 20H 1px -0.030121 0.002279 -0.060640 0.004163 0.055395 0.136556 20H 1py 0.064192 0.014998 0.113965 0.000832 -0.100031 -0.141817 21H 1s 0.030403 0.015694 0.037989 0.002570 -0.069310 -0.146836 21H 2s -0.175135 -0.004252 -0.319977 -0.045701 0.241732 0.558334 21H 3s 0.056223 0.043339 0.098996 0.008287 -0.124849 -0.251839 21H 1pz 0.050205 -0.007466 0.060596 0.011826 -0.119654 -0.264261 21H 1px 0.104140 0.004850 0.176275 0.013234 -0.126996 -0.276542 21H 1py -0.021322 0.019142 -0.056843 -0.005866 0.035246 0.110387 22H 1s 0.055678 0.036743 0.095915 0.028704 0.041513 0.137440 22H 2s 0.097886 0.012871 0.179362 0.136568 -0.209156 -0.325445 22H 3s -0.025426 0.014514 -0.123690 -0.067941 0.079003 0.123942 22H 1pz -0.053173 0.000783 -0.089273 -0.049134 0.134235 0.229055 22H 1px -0.017247 -0.013897 -0.019632 0.001143 -0.032782 -0.065128 22H 1py 0.029269 0.005466 0.065108 0.050542 -0.037988 -0.063703 23H 1s 0.017768 -0.023498 0.075502 0.028351 0.133836 -0.085257 23H 2s -0.135255 0.350620 -0.508882 -0.152012 -0.452586 0.366262 23H 3s 0.037731 -0.095594 0.144894 0.043116 0.211182 -0.129324 23H 1pz -0.010441 -0.027510 0.067721 0.023301 0.082321 -0.058148 23H 1px 0.073125 -0.136038 0.180617 0.049510 0.081735 -0.084620 23H 1py 0.055757 -0.151799 0.243304 0.072211 0.325716 -0.228316 24H 1s -0.033926 0.098546 -0.081512 -0.032496 -0.041646 0.029574 24H 2s 0.077254 -0.186345 0.256061 0.088315 0.397033 -0.226739 24H 3s -0.032898 0.106771 -0.131282 -0.026552 -0.143981 0.084337 24H 1pz -0.086061 0.184871 -0.189739 -0.076416 -0.161983 0.104088 24H 1px -0.016661 0.069364 -0.127343 -0.038045 -0.188585 0.110972 24H 1py -0.028979 -0.003744 -0.045160 0.001411 0.019098 0.027190 25H 1s 0.122075 -0.160623 0.139692 0.022459 -0.125068 0.039619 25H 2s 0.005949 -0.062395 0.256093 0.000965 0.240666 -0.207451 25H 3s 0.017383 0.006200 -0.106686 0.004010 -0.098564 0.096756 25H 1pz -0.002248 -0.009027 -0.089603 0.027149 -0.042192 0.066247 25H 1px -0.035951 0.020008 0.035640 -0.015513 0.132508 -0.091425 25H 1py -0.035387 0.091272 -0.128594 -0.029018 -0.147278 0.098311 26O 1s -0.000306 0.011510 0.003095 -0.007601 0.005123 -0.005952 26O 2s -0.000175 0.037488 0.008569 -0.025668 0.016389 -0.021486 26O 3s -0.031877 -0.215088 0.007491 0.190197 -0.085820 0.192165 26O 4s 0.133834 0.302402 -0.227213 -0.348926 0.089244 -0.494007 26O 5s 0.001051 -1.616617 -0.616147 0.747683 -0.520880 0.554051 26O 1pz 0.055211 -0.065729 -0.026472 0.009802 -0.091755 0.030503 26O 1px -0.057494 0.005803 0.011839 0.022514 0.015290 0.006036 26O 1py 0.018236 -0.096500 -0.016408 0.000654 0.038192 -0.027884 26O 2pz -0.192702 0.288640 0.138419 -0.057367 0.372534 -0.124583 26O 2px 0.057725 0.256253 0.236943 -0.108434 0.135004 0.029214 26O 2py -0.131592 0.508767 0.243532 -0.007408 -0.080244 0.121998 26O 3pz -0.094141 -0.324533 -0.219105 0.198016 -0.144309 0.067878 26O 3px -0.170256 0.284467 0.034094 -0.181788 0.056386 -0.070322 26O 3py -0.091127 -0.085581 -0.023663 0.047114 0.094375 0.078075 26O 1dz2 -0.000978 -0.008362 -0.005626 0.005205 -0.009895 0.000401 26O 1dxz -0.006327 0.009973 0.008049 -0.005679 0.011660 -0.004231 26O 1dyz -0.006005 -0.002602 -0.004088 0.002482 0.008871 -0.002383 26O 1dx2y2 0.003124 -0.004061 -0.003718 -0.004883 0.011468 -0.004947 26O 1dxy -0.007883 0.020249 0.012026 -0.002332 -0.003158 0.003671 26O 2dz2 0.007058 0.001606 0.003354 0.015888 -0.071179 0.042184 26O 2dxz 0.080220 -0.089104 -0.054287 0.027043 -0.212070 0.063909 26O 2dyz 0.057764 -0.140779 -0.084351 0.024977 -0.089328 0.050943 26O 2dx2y2 -0.053041 0.118674 0.046972 0.049861 -0.120444 0.032539 26O 2dxy 0.079774 -0.255344 -0.173239 -0.029941 0.079264 -0.108501 26O 1f0 0.004271 -0.007378 -0.017791 -0.009083 0.030570 -0.021070 26O 1f+1 0.029236 -0.046882 -0.047548 -0.006885 -0.014233 -0.007416 26O 1f-1 0.003162 0.004063 -0.003777 0.002117 -0.004327 -0.000322 26O 1f+2 -0.004612 -0.002940 -0.004466 0.003668 0.008081 -0.002791 26O 1f-2 0.019887 -0.025223 -0.012850 -0.002711 -0.021350 0.013996 26O 1f+3 0.010519 -0.032180 -0.017408 -0.003411 0.011775 -0.005758 26O 1f-3 -0.000085 0.006440 0.012764 0.005647 -0.026899 0.018563 27O 1s -0.002845 -0.001604 -0.001628 0.003801 -0.006927 -0.002953 27O 2s -0.009837 -0.006660 -0.007865 0.012583 -0.024434 -0.008874 27O 3s 0.067615 0.075764 0.137082 -0.075772 0.199614 0.032068 27O 4s -0.101934 -0.256583 -0.513578 0.090689 -0.443773 -0.035323 27O 5s 0.101100 0.507668 -0.136172 -0.311547 0.657161 0.081007 27O 1pz 0.040815 0.002542 -0.036124 -0.048370 -0.029375 0.005549 27O 1px 0.020219 0.034911 0.030964 -0.033940 -0.002579 -0.050167 27O 1py -0.045003 -0.030411 -0.003296 0.043596 -0.044178 -0.084228 27O 2pz -0.141983 -0.004034 0.146842 0.142302 0.120563 0.006235 27O 2px -0.081136 -0.028068 0.222443 0.192620 0.024070 0.027919 27O 2py 0.130066 0.071243 -0.081939 -0.128176 0.182315 0.354468 27O 3pz 0.055574 0.151097 0.053953 -0.083100 0.065319 -0.020067 27O 3px 0.084420 0.035872 0.106969 -0.203657 0.018355 0.017080 27O 3py -0.085018 -0.096829 0.005226 0.215348 -0.145691 -0.088106 27O 1dz2 0.003530 -0.002614 -0.002672 0.003543 -0.001765 0.002017 27O 1dxz -0.006082 0.002941 0.010346 0.003041 0.005507 0.009159 27O 1dyz 0.002317 0.000457 0.001912 0.000088 0.002192 0.000614 27O 1dx2y2 0.002228 0.002972 0.005551 0.000922 -0.002390 -0.006236 27O 1dxy 0.001801 -0.002246 -0.005413 0.000967 0.006976 0.016469 27O 2dz2 -0.013083 0.013913 0.086283 0.050842 0.010919 -0.013264 27O 2dxz 0.084782 -0.017045 -0.136204 -0.067706 -0.131780 -0.046856 27O 2dyz -0.029585 -0.003687 0.056848 0.025144 0.017890 -0.018035 27O 2dx2y2 -0.016666 0.003569 -0.025153 -0.033087 -0.105528 -0.098585 27O 2dxy -0.030485 -0.007144 0.076086 0.026152 -0.089874 -0.200174 27O 1f0 -0.006553 0.004526 0.006836 0.000682 0.007034 0.014469 27O 1f+1 -0.009095 0.004250 0.006635 -0.002045 0.013917 0.026867 27O 1f-1 0.012412 -0.000967 -0.019176 -0.004948 -0.004615 -0.011252 27O 1f+2 0.008163 -0.004787 -0.015721 -0.005361 -0.005990 -0.005954 27O 1f-2 -0.012944 -0.002327 0.019420 0.012221 -0.006289 -0.028830 27O 1f+3 0.017268 -0.005372 -0.030306 -0.008438 0.010884 0.023487 27O 1f-3 -0.005575 0.001729 0.013492 0.002518 0.015852 0.027264 28O 1s -0.004650 0.004914 0.004439 -0.002353 0.002538 0.004618 28O 2s -0.015907 0.015542 0.015355 -0.007804 0.008151 0.016391 28O 3s 0.126098 -0.106504 -0.149170 0.046195 -0.048949 -0.145516 28O 4s -0.150679 0.106955 0.421225 -0.023655 -0.049219 0.388945 28O 5s 0.126228 -0.485765 0.112584 0.140000 -0.301965 -0.213624 28O 1pz -0.043507 0.136604 0.036891 0.065092 0.038221 -0.021524 28O 1px -0.030480 0.028528 0.028888 -0.011498 0.035673 -0.001759 28O 1py -0.056342 0.121095 0.085987 0.030543 0.032209 0.019213 28O 2pz 0.146969 -0.344097 -0.195525 -0.204320 -0.102057 0.049233 28O 2px 0.103781 -0.171559 0.041867 0.091891 -0.191273 0.089474 28O 2py 0.207118 -0.397328 -0.340572 -0.091599 -0.103202 -0.078639 28O 3pz -0.086613 0.532099 0.122623 0.277666 0.143283 -0.115699 28O 3px -0.000263 -0.274343 0.029073 -0.162313 -0.114512 0.073953 28O 3py -0.087900 0.170365 0.107128 0.119617 0.079099 -0.107949 28O 1dz2 0.002356 -0.005287 0.000082 0.001735 -0.007530 0.005103 28O 1dxz -0.002892 -0.002852 -0.002380 -0.002811 0.001928 -0.003142 28O 1dyz 0.001255 -0.007648 -0.000548 0.002450 -0.001553 0.002246 28O 1dx2y2 -0.003859 0.007302 0.003541 -0.003696 0.003802 -0.000249 28O 1dxy -0.009019 0.009418 0.012183 -0.001300 -0.000567 0.003346 28O 2dz2 -0.098872 0.168906 0.055427 -0.001170 0.061990 -0.040295 28O 2dxz -0.009395 0.088220 0.026651 -0.031859 0.009845 -0.017101 28O 2dyz -0.144915 0.207138 0.217177 0.005765 0.098105 0.026408 28O 2dx2y2 0.064734 -0.125395 -0.049049 0.017326 -0.113239 0.061370 28O 2dxy 0.083537 -0.134021 -0.178417 -0.024676 -0.002172 -0.091697 28O 1f0 -0.019641 0.053934 0.042210 0.013169 -0.021799 0.017898 28O 1f+1 0.004584 -0.003555 0.007046 0.003483 -0.015036 0.011765 28O 1f-1 -0.009866 0.026819 0.014832 -0.005911 0.020283 -0.007358 28O 1f+2 0.006538 -0.011782 -0.015467 0.002882 -0.020450 0.006998 28O 1f-2 0.019059 -0.031865 -0.023242 -0.003138 -0.020242 0.002954 28O 1f+3 0.004287 0.005621 0.000400 0.006636 -0.019873 0.014625 28O 1f-3 0.004727 -0.006359 -0.015386 -0.004003 0.029150 -0.018950 29O 1s -0.031695 -0.017892 -0.005141 0.043964 -0.002301 0.000109 29O 2s -0.126873 -0.072349 -0.022750 0.172716 -0.008679 0.000213 29O 3s 1.358668 0.790272 0.282158 -1.794414 0.085597 0.001608 29O 4s -2.959864 -1.768657 -0.628165 3.974430 -0.200243 0.007304 29O 5s 0.434577 0.364593 -0.200114 -1.504449 0.155905 -0.099648 29O 1pz -0.072473 -0.073426 -0.036057 0.077970 0.014523 0.048418 29O 1px 0.156847 0.101559 0.073510 -0.172210 0.021706 0.014721 29O 1py -0.219484 -0.120343 -0.069284 0.244459 0.011751 -0.015230 29O 2pz 0.318740 0.327302 0.143393 -0.350879 -0.085594 -0.249022 29O 2px -0.712541 -0.413558 -0.261599 0.757880 -0.084865 -0.092437 29O 2py 1.031781 0.588199 0.307875 -1.157807 0.011524 0.051846 29O 3pz 0.016882 -0.016205 -0.019935 -0.116614 0.005483 0.020516 29O 3px -0.006996 -0.047313 0.109102 0.335236 -0.008395 0.021628 29O 3py -0.010687 0.018040 0.042581 0.130426 0.017527 0.009198 29O 1dz2 0.023945 0.011287 0.004690 -0.026896 0.004180 0.002491 29O 1dxz 0.012107 0.008900 0.000676 -0.010291 0.001060 -0.005503 29O 1dyz -0.004670 0.002575 -0.000405 0.004837 -0.006170 -0.006606 29O 1dx2y2 0.006280 0.005952 0.003658 -0.019054 -0.001527 -0.001396 29O 1dxy -0.004230 -0.002598 -0.002621 0.006214 0.005077 -0.004821 29O 2dz2 -0.280211 -0.212854 -0.095878 0.330939 0.026075 0.075807 29O 2dxz -0.223551 -0.094006 -0.060108 0.267987 -0.034399 -0.085871 29O 2dyz -0.078099 -0.080658 -0.036790 0.086756 0.029316 0.091495 29O 2dx2y2 0.076630 0.067194 0.030550 -0.125948 -0.013216 -0.023235 29O 2dxy 0.366806 0.196555 0.099796 -0.412507 0.049274 0.042711 29O 1f0 -0.053068 -0.034194 -0.013868 0.067951 -0.001421 0.008243 29O 1f+1 0.022132 0.007654 0.003590 -0.029106 0.008286 0.010964 29O 1f-1 -0.059422 -0.039507 -0.020958 0.071606 0.006729 0.008616 29O 1f+2 0.026561 0.018234 0.003409 -0.031684 0.002838 -0.007941 29O 1f-2 -0.039515 -0.013308 -0.009131 0.047045 -0.012337 -0.016758 29O 1f+3 0.028230 0.015226 0.004606 -0.028272 0.004519 0.005418 29O 1f-3 0.018249 0.007262 0.007767 -0.028359 -0.008351 0.013073 30O 1s 0.002479 -0.006741 0.001752 0.003402 0.003017 0.000758 30O 2s 0.008763 -0.024575 0.006433 0.010751 0.011165 0.003269 30O 3s -0.063613 0.209820 -0.088147 -0.073669 -0.113171 -0.038084 30O 4s 0.174184 -0.442045 0.307623 0.128535 0.358054 0.235373 30O 5s -0.614407 0.933997 0.381257 -0.244065 -0.051271 -0.211003 30O 1pz -0.068581 0.026310 0.071472 0.011287 0.008023 -0.009091 30O 1px 0.007239 -0.005853 0.041616 0.038357 -0.000292 -0.047590 30O 1py 0.065755 -0.014456 -0.054044 -0.023671 0.000452 0.071483 30O 2pz 0.243484 -0.090665 -0.347051 -0.026848 -0.062041 -0.013627 30O 2px -0.009852 0.013370 -0.018689 -0.108769 0.089743 0.204063 30O 2py -0.209838 0.036078 0.262968 0.062187 0.028668 -0.257510 30O 3pz -0.218359 0.023751 0.143183 0.062403 -0.154297 -0.090440 30O 3px -0.100800 0.184499 0.051072 -0.132244 0.026423 -0.025905 30O 3py 0.301024 -0.137660 -0.339961 -0.122033 0.001480 0.212228 30O 1dz2 0.005440 -0.001223 -0.010017 -0.002159 -0.003677 -0.003012 30O 1dxz -0.005655 -0.000256 0.003322 -0.005164 -0.001774 0.005857 30O 1dyz 0.002362 -0.003597 0.000082 -0.002216 -0.001222 -0.004666 30O 1dx2y2 -0.002201 0.003091 0.001562 0.003841 -0.003136 -0.005870 30O 1dxy 0.003155 0.003119 -0.004386 0.007167 -0.000602 0.006367 30O 2dz2 -0.051324 0.016095 0.091712 0.005601 -0.024412 0.036834 30O 2dxz 0.023612 -0.013423 -0.066375 0.011202 -0.079961 -0.113730 30O 2dyz 0.103708 -0.010854 -0.147473 -0.030004 0.018015 0.092035 30O 2dx2y2 0.085650 0.010925 -0.144737 -0.069282 0.001227 0.136935 30O 2dxy 0.047630 -0.038451 -0.070367 -0.010369 0.031202 -0.006876 30O 1f0 0.004392 -0.004557 -0.005432 -0.002945 -0.009362 -0.013875 30O 1f+1 0.010868 -0.001266 -0.011844 0.001220 -0.010135 -0.028785 30O 1f-1 -0.000760 0.001444 -0.002962 -0.001862 0.020546 0.039859 30O 1f+2 0.003466 -0.000577 -0.013887 -0.007214 0.015113 0.031774 30O 1f-2 -0.005630 -0.003396 0.000451 -0.003104 -0.004618 -0.002940 30O 1f+3 0.009534 0.000708 -0.005247 0.001263 -0.000502 0.002242 30O 1f-3 0.019982 -0.011665 -0.042553 -0.020576 -0.010119 0.002888 31O 1s 0.002592 -0.006565 -0.000483 -0.003573 0.003331 0.000802 31O 2s 0.009160 -0.023985 -0.001733 -0.011357 0.012367 0.003386 31O 3s -0.069441 0.212890 0.046176 0.078151 -0.125125 -0.038047 31O 4s 0.197232 -0.477412 -0.207175 -0.133867 0.395499 0.231414 31O 5s -0.572223 0.765580 -0.571075 0.275844 -0.082548 -0.221134 31O 1pz 0.062798 -0.007475 0.079112 0.010355 -0.002728 0.008958 31O 1px -0.010404 0.014127 0.039732 0.039495 0.003810 0.048148 31O 1py -0.061013 -0.002857 -0.060279 -0.023946 -0.002631 -0.073922 31O 2pz -0.214655 0.002113 -0.368571 -0.022062 0.048964 0.013317 31O 2px 0.011081 -0.013659 -0.021145 -0.114778 -0.108062 -0.202587 31O 2py 0.189639 0.036673 0.277099 0.061737 -0.026574 0.267414 31O 3pz 0.205352 0.022576 0.158798 0.062232 0.165616 0.093592 31O 3px 0.089213 -0.156899 0.084118 -0.139097 -0.009934 0.027338 31O 3py -0.279090 0.046485 -0.382132 -0.119462 -0.027987 -0.210267 31O 1dz2 0.004634 0.000988 0.010276 0.001987 -0.002444 -0.003240 31O 1dxz -0.005296 -0.001244 -0.003246 0.005241 -0.001572 0.005874 31O 1dyz 0.002303 -0.003088 0.000632 0.001972 -0.001477 -0.004571 31O 1dx2y2 -0.001779 0.002478 -0.002365 -0.003933 -0.004142 -0.005775 31O 1dxy 0.003136 0.003780 0.003838 -0.007087 -0.000480 0.006377 31O 2dz2 -0.041203 -0.007613 -0.095362 -0.005264 -0.029080 0.038218 31O 2dxz 0.017692 0.002786 0.066896 -0.013726 -0.079601 -0.116867 31O 2dyz 0.091063 0.025993 0.152301 0.030300 0.026807 0.093755 31O 2dx2y2 0.075457 0.044138 0.147185 0.071475 0.011479 0.137996 31O 2dxy 0.041167 -0.022358 0.079794 0.010688 0.041188 -0.011005 31O 1f0 -0.003522 0.002531 -0.006483 -0.002933 0.008806 0.014864 31O 1f+1 -0.009452 -0.002453 -0.011991 0.001555 0.009597 0.029309 31O 1f-1 0.000539 -0.000841 -0.002926 -0.002293 -0.021555 -0.040970 31O 1f+2 -0.002546 -0.002102 -0.014173 -0.007656 -0.016826 -0.032636 31O 1f-2 0.005843 0.003300 0.000316 -0.002956 0.004633 0.002913 31O 1f+3 -0.009264 -0.002408 -0.005656 0.001100 0.000652 -0.002421 31O 1f-3 -0.016309 0.000944 -0.045172 -0.020458 0.008040 -0.001931 32O 1s -0.031680 -0.017161 0.007430 -0.043995 -0.000979 -0.000080 32O 2s -0.126990 -0.068828 0.031959 -0.172824 -0.003514 -0.000452 32O 3s 1.363228 0.741745 -0.381953 1.795363 0.032305 0.007113 32O 4s -2.971689 -1.658066 0.855118 -3.976427 -0.081428 -0.004441 32O 5s 0.412985 0.429028 0.124802 1.506083 0.101871 -0.082315 32O 1pz 0.069427 0.062973 -0.046009 0.071685 -0.020141 -0.048778 32O 1px -0.162388 -0.086139 0.086308 -0.174466 -0.018305 -0.014200 32O 1py 0.221986 0.107569 -0.083113 0.244399 -0.019337 0.014035 32O 2pz -0.300956 -0.284464 0.188748 -0.318973 0.111546 0.250557 32O 2px 0.733341 0.360982 -0.310604 0.769352 0.069722 0.090403 32O 2py -1.043896 -0.530159 0.377746 -1.159453 0.023694 -0.045556 32O 3pz -0.015013 0.007152 -0.021489 -0.118423 -0.001062 -0.021429 32O 3px -0.001508 0.074377 0.094682 0.334087 -0.004135 -0.017544 32O 3py 0.005452 -0.000112 0.042283 0.131362 -0.024557 -0.006798 32O 1dz2 0.024385 0.010103 -0.005908 0.027079 0.003676 0.002732 32O 1dxz 0.012107 0.008266 -0.001898 0.010102 0.001013 -0.005397 32O 1dyz -0.003501 0.003233 -0.000749 -0.003523 -0.006313 -0.006622 32O 1dx2y2 0.006529 0.004929 -0.004536 0.018955 -0.001810 -0.001217 32O 1dxy -0.003985 -0.001754 0.002659 -0.005645 0.005116 -0.004867 32O 2dz2 -0.282300 -0.191907 0.124814 -0.328589 0.038538 0.071372 32O 2dxz -0.230014 -0.084297 0.068279 -0.274751 -0.031236 -0.088426 32O 2dyz -0.089766 -0.079846 0.055334 -0.096243 0.038877 0.093265 32O 2dx2y2 0.075669 0.059850 -0.040321 0.122308 -0.018982 -0.025747 32O 2dxy 0.366643 0.175362 -0.120365 0.409701 0.039634 0.040030 32O 1f0 0.049963 0.029475 -0.017055 0.063503 -0.000529 -0.007721 32O 1f+1 -0.024855 -0.008209 0.004862 -0.032612 -0.008130 -0.011481 32O 1f-1 0.062142 0.036841 -0.027077 0.074192 -0.009808 -0.008624 32O 1f+2 -0.029535 -0.018797 0.007197 -0.035201 -0.001429 0.007625 32O 1f-2 0.038604 0.011246 -0.009461 0.045944 0.012029 0.016835 32O 1f+3 -0.026862 -0.014222 0.005907 -0.026750 -0.003707 -0.004731 32O 1f-3 -0.017856 -0.005763 0.008003 -0.027593 0.008618 -0.013289 33O 1s -0.004361 0.003976 -0.005393 0.002533 0.002134 0.004516 33O 2s -0.014832 0.012247 -0.018316 0.008437 0.006650 0.016084 33O 3s 0.114438 -0.073015 0.166839 -0.051441 -0.036222 -0.143682 33O 4s -0.112230 0.007585 -0.417068 0.035328 -0.083072 0.388912 33O 5s 0.117628 -0.504462 -0.007575 -0.173544 -0.235097 -0.209417 33O 1pz 0.046611 -0.130077 0.065829 0.064999 -0.051053 0.023843 33O 1px 0.029710 -0.023838 0.035793 -0.012246 -0.039430 0.002960 33O 1py 0.052868 -0.099523 0.109548 0.030138 -0.043830 -0.017917 33O 2pz -0.146936 0.302695 -0.263890 -0.204299 0.141688 -0.057059 33O 2px -0.113605 0.188998 -0.006936 0.094266 0.205489 -0.095757 33O 2py -0.192883 0.315166 -0.416484 -0.090954 0.136749 0.076435 33O 3pz 0.092705 -0.498892 0.234832 0.274208 -0.193056 0.124303 33O 3px 0.000602 0.273299 -0.031684 -0.153639 0.106452 -0.078347 33O 3py 0.092301 -0.146312 0.146930 0.120067 -0.113155 0.116476 33O 1dz2 0.002692 -0.005686 0.001359 -0.001816 -0.007898 0.005272 33O 1dxz -0.002868 -0.002580 0.002777 0.002914 0.001834 -0.003147 33O 1dyz 0.001043 -0.007195 0.002053 -0.002503 -0.001652 0.002238 33O 1dx2y2 -0.003887 0.006573 -0.005134 0.003771 0.005164 -0.000644 33O 1dxy -0.008528 0.006780 -0.013836 0.001264 0.000324 0.003230 33O 2dz2 -0.100297 0.159186 -0.093384 0.001512 0.080866 -0.046285 33O 2dxz -0.008662 0.081879 -0.044921 0.031919 0.009837 -0.016136 33O 2dyz -0.137138 0.159068 -0.257957 -0.005190 0.115654 0.024209 33O 2dx2y2 0.066246 -0.117307 0.078984 -0.018387 -0.126348 0.066658 33O 2dxy 0.074752 -0.092523 0.200215 0.024087 -0.006766 -0.094910 33O 1f0 0.018951 -0.046657 0.052217 0.013610 0.022019 -0.019365 33O 1f+1 -0.005335 0.005291 0.005213 0.003619 0.016541 -0.012444 33O 1f-1 0.009235 -0.023353 0.020450 -0.006142 -0.022392 0.008257 33O 1f+2 -0.005591 0.007900 -0.017883 0.003170 0.023552 -0.008027 33O 1f-2 -0.018032 0.026332 -0.029888 -0.002873 0.022716 -0.003655 33O 1f+3 -0.004116 -0.006203 0.000793 0.006781 0.022988 -0.016212 33O 1f-3 -0.004442 0.003836 -0.015603 -0.004249 -0.030287 0.020414 34O 1s -0.002731 -0.000972 0.001701 -0.003991 -0.007889 -0.002746 34O 2s -0.009594 -0.003970 0.008357 -0.013264 -0.027654 -0.008174 34O 3s 0.070664 0.038037 -0.145978 0.081463 0.221663 0.026571 34O 4s -0.123667 -0.127904 0.550589 -0.105523 -0.480023 -0.025059 34O 5s 0.083136 0.488084 0.047619 0.343495 0.765484 0.057537 34O 1pz -0.038779 -0.009333 -0.037858 -0.048439 0.025500 -0.002622 34O 1px -0.020729 -0.026815 0.036741 -0.033189 0.004443 0.051598 34O 1py 0.044153 0.027102 -0.006316 0.044180 0.047071 0.085147 34O 2pz 0.132233 0.035866 0.153035 0.142578 -0.108074 -0.016642 34O 2px 0.062692 0.071826 0.219476 0.190524 -0.013525 -0.032569 34O 2py -0.122987 -0.079315 -0.077376 -0.131656 -0.197660 -0.358919 34O 3pz -0.053677 -0.132481 0.080722 -0.085386 -0.078793 0.021259 34O 3px -0.086049 -0.014288 0.111980 -0.192773 0.010149 -0.023086 34O 3py 0.075245 0.086122 -0.009443 0.214093 0.171711 0.082817 34O 1dz2 0.003219 -0.001814 0.003445 -0.003588 -0.001909 0.002056 34O 1dxz -0.004985 0.000045 -0.010967 -0.002938 0.004596 0.009636 34O 1dyz 0.002606 0.000026 -0.001778 -0.000067 0.001926 0.000476 34O 1dx2y2 0.002534 0.002039 -0.006216 -0.000864 -0.002685 -0.006081 34O 1dxy 0.001289 -0.000983 0.006125 -0.000786 0.007988 0.016719 34O 2dz2 -0.007344 -0.003855 -0.089373 -0.050762 0.003952 -0.011484 34O 2dxz 0.073657 0.018432 0.142538 0.067119 -0.125055 -0.054673 34O 2dyz -0.024094 -0.018110 -0.056760 -0.025820 0.012639 -0.016377 34O 2dx2y2 -0.019251 0.012107 0.023563 0.031727 -0.107999 -0.101144 34O 2dxy -0.025786 -0.019563 -0.077700 -0.028284 -0.098993 -0.204537 34O 1f0 0.005568 -0.002438 0.007839 0.000535 -0.006179 -0.015517 34O 1f+1 0.007832 -0.001704 0.007464 -0.002510 -0.014030 -0.027582 34O 1f-1 -0.010661 -0.003979 -0.019497 -0.004794 0.004164 0.011682 34O 1f+2 -0.006895 0.000852 -0.016999 -0.005439 0.005318 0.006800 34O 1f-2 0.011815 0.006575 0.019466 0.012583 0.007276 0.029234 34O 1f+3 -0.014736 -0.001495 -0.031741 -0.008682 -0.013450 -0.023747 34O 1f-3 0.004293 0.002138 0.013590 0.002151 -0.015317 -0.028032 35O 1s -0.000188 0.010992 -0.005436 0.007770 0.005671 -0.006207 35O 2s 0.000183 0.036135 -0.016201 0.026260 0.018164 -0.022284 35O 3s -0.032228 -0.220253 0.036912 -0.194550 -0.095492 0.195788 35O 4s 0.125091 0.358117 0.159805 0.356794 0.104231 -0.493361 35O 5s -0.030804 -1.492109 0.930469 -0.784157 -0.576488 0.583829 35O 1pz -0.053691 0.058080 -0.042185 0.011390 0.098425 -0.034185 35O 1px 0.058563 -0.004763 0.016383 0.023232 -0.019096 -0.005542 35O 1py -0.019221 0.094980 -0.034861 0.000499 -0.038797 0.029407 35O 2pz 0.185818 -0.251499 0.205146 -0.063449 -0.401279 0.139989 35O 2px -0.072165 -0.200654 0.276729 -0.113956 -0.141461 -0.018973 35O 2py 0.128035 -0.465768 0.341541 -0.008082 0.075335 -0.124387 35O 3pz 0.108009 0.273584 -0.271033 0.205671 0.165745 -0.073025 35O 3px 0.176295 -0.285449 0.101942 -0.188396 -0.067130 0.076545 35O 3py 0.091429 0.085766 -0.035663 0.048824 -0.087061 -0.080340 35O 1dz2 -0.001303 -0.007010 0.007136 -0.005310 -0.010302 0.000662 35O 1dxz -0.006147 0.008177 -0.010157 0.005860 0.013496 -0.004801 35O 1dyz -0.006167 -0.002003 0.004171 -0.002511 0.009404 -0.002549 35O 1dx2y2 0.003155 -0.003485 0.004182 0.004923 0.011108 -0.005359 35O 1dxy -0.007834 0.018097 -0.016092 0.002136 -0.003023 0.003903 35O 2dz2 0.004979 0.005442 -0.003555 -0.016243 -0.076722 0.043316 35O 2dxz 0.076331 -0.070330 0.075775 -0.029723 -0.230646 0.074146 35O 2dyz 0.055655 -0.122591 0.114369 -0.026474 -0.103142 0.056050 35O 2dx2y2 -0.055128 0.115696 -0.071161 -0.052048 -0.127046 0.039914 35O 2dxy 0.076470 -0.224429 0.220454 0.030099 0.077053 -0.112092 35O 1f0 -0.003689 0.004350 -0.018510 -0.009409 -0.032232 0.022706 35O 1f+1 -0.027316 0.036554 -0.056560 -0.006672 0.017115 0.007166 35O 1f-1 -0.002650 -0.005292 -0.002744 0.002125 0.004845 0.000186 35O 1f+2 0.005171 0.001568 -0.004115 0.003717 -0.009656 0.003248 35O 1f-2 -0.019433 0.022116 -0.018711 -0.002566 0.024416 -0.014978 35O 1f+3 -0.010394 0.029219 -0.023589 -0.003578 -0.012305 0.006507 35O 1f-3 -0.000381 -0.003981 0.012894 0.006038 0.029157 -0.020263 558 559 560 561 562 563 3.74932 3.75464 3.76113 3.81401 3.81675 3.82746 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s -0.001067 0.001441 -0.002104 0.001304 -0.001385 -0.000029 0Rh 2s 0.007943 -0.012547 0.015616 -0.010375 0.011313 -0.000122 0Rh 3s -0.001569 0.001028 -0.003128 0.001526 -0.001441 -0.000249 0Rh 4s -0.043738 0.068933 -0.086083 0.057326 -0.062463 0.000596 0Rh 5s 0.091637 -0.152477 0.180656 -0.124390 0.136545 -0.002277 0Rh 6s -0.056777 0.132031 -0.113049 0.094746 -0.108567 0.005944 0Rh 7s -0.028845 -0.070017 -0.185891 0.005347 0.022554 -0.066639 0Rh 8s 0.178261 -0.012901 0.066975 -0.038156 0.158111 -0.080997 0Rh 1pz -0.003047 -0.001981 -0.003029 -0.005795 0.002147 0.003207 0Rh 1px 0.002062 0.000131 0.004617 -0.003017 0.003216 0.001371 0Rh 1py -0.000788 0.000498 0.003578 -0.002775 -0.006834 0.000929 0Rh 2pz 0.011834 0.007676 0.011923 0.022159 -0.008197 -0.012399 0Rh 2px -0.008285 -0.000432 -0.018362 0.011802 -0.012519 -0.005357 0Rh 2py 0.003064 -0.001970 -0.013880 0.010741 0.026275 -0.003595 0Rh 3pz -0.026284 -0.016475 -0.029361 -0.041154 0.014905 0.025851 0Rh 3px 0.024050 -0.000596 0.049183 -0.027498 0.027810 0.012294 0Rh 3py -0.006671 0.005049 0.030229 -0.022575 -0.051700 0.007376 0Rh 4pz 0.012936 0.004542 0.023147 -0.014546 0.007321 -0.003932 0Rh 4px -0.033347 0.005941 -0.053002 0.015936 -0.010927 -0.005601 0Rh 4py 0.001640 -0.004160 -0.010829 0.003238 -0.005496 0.000652 0Rh 5pz 0.004007 0.020560 -0.007447 0.096318 -0.040724 -0.030067 0Rh 5px 0.050221 -0.010520 0.045646 0.007469 -0.016973 -0.014782 0Rh 5py 0.006791 -0.002375 -0.021822 0.030996 0.094601 -0.013478 0Rh 6pz 0.060761 -0.195153 0.060882 -0.080543 0.069421 -0.041447 0Rh 6px -0.501617 -0.059522 -0.295706 0.057217 -0.135606 0.255795 0Rh 6py -0.135907 0.074731 0.074595 -0.046305 -0.056354 -0.131011 0Rh 1dz2 -0.043156 0.142273 0.016220 0.134000 -0.016622 0.066032 0Rh 1dxz -0.067679 0.036252 -0.005288 -0.053167 0.039376 0.073583 0Rh 1dyz 0.072615 -0.081229 -0.044633 -0.047987 0.018126 -0.019154 0Rh 1dx2y2 -0.043550 0.077564 0.022958 0.022348 0.068063 0.071427 0Rh 1dxy -0.001883 0.029901 0.042107 -0.037997 -0.101373 0.043703 0Rh 2dz2 -0.006092 0.022541 0.002840 0.019215 -0.002022 0.012595 0Rh 2dxz -0.009901 0.005173 0.000590 -0.006358 0.005919 0.010470 0Rh 2dyz 0.013895 -0.011594 -0.007437 -0.008661 0.000480 -0.000739 0Rh 2dx2y2 -0.006536 0.012116 0.002101 0.004545 0.008496 0.011238 0Rh 2dxy 0.001197 0.005073 0.004779 -0.005064 -0.014040 0.006907 0Rh 3dz2 0.182961 -0.616405 -0.071464 -0.576542 0.069894 -0.299713 0Rh 3dxz 0.289321 -0.154697 0.016189 0.222859 -0.170863 -0.317284 0Rh 3dyz -0.326724 0.345971 0.195656 0.214914 -0.067982 0.072738 0Rh 3dx2y2 0.186532 -0.335073 -0.092319 -0.102451 -0.286968 -0.312722 0Rh 3dxy 0.000688 -0.131255 -0.173647 0.161868 0.434416 -0.191883 0Rh 4dz2 -0.222990 0.804319 0.092890 0.752176 -0.090163 0.426012 0Rh 4dxz -0.369861 0.197334 -0.007185 -0.279467 0.226274 0.417032 0Rh 4dyz 0.470125 -0.440176 -0.266523 -0.298972 0.065822 -0.067333 0Rh 4dx2y2 -0.235006 0.432862 0.105596 0.144718 0.363155 0.420524 0Rh 4dxy 0.022901 0.175307 0.206431 -0.209659 -0.566233 0.262942 0Rh 5dz2 -0.017814 -0.548586 -0.034328 -0.474176 0.072490 -0.439009 0Rh 5dxz 0.218061 -0.116604 -0.070276 0.145320 -0.166505 -0.270518 0Rh 5dyz -0.759268 0.270347 0.306048 0.281548 0.085187 -0.168529 0Rh 5dx2y2 0.096529 -0.257683 0.019428 -0.127034 -0.179783 -0.322634 0Rh 5dxy -0.220465 -0.132252 -0.016932 0.139871 0.385418 -0.260635 0Rh 1f0 -0.000941 0.012122 -0.003348 -0.013828 0.000664 -0.008602 0Rh 1f+1 -0.010015 0.005569 -0.000699 -0.003978 0.004689 0.015962 0Rh 1f-1 -0.002139 -0.007177 -0.001101 0.008285 0.004851 0.001941 0Rh 1f+2 0.006278 -0.003229 -0.000888 0.006690 0.006752 -0.004558 0Rh 1f-2 -0.001449 0.001666 0.000872 -0.006847 -0.007724 -0.001729 0Rh 1f+3 0.009741 0.013781 -0.008414 -0.009524 0.006267 -0.012831 0Rh 1f-3 0.001480 -0.005235 0.004515 -0.006213 -0.008942 -0.006827 1Rh 1s 0.000996 0.001529 0.002139 -0.001259 0.001434 0.000025 1Rh 2s -0.007304 -0.013230 -0.015918 0.009976 -0.011777 0.000172 1Rh 3s 0.001531 0.001141 0.003153 -0.001499 0.001453 0.000253 1Rh 4s 0.040231 0.072694 0.087745 -0.055129 0.065016 -0.000871 1Rh 5s -0.083790 -0.160465 -0.184350 0.119471 -0.142386 0.002953 1Rh 6s 0.049533 0.137456 0.116303 -0.090317 0.114407 -0.006861 1Rh 7s 0.040971 -0.067802 0.184428 -0.009357 -0.034774 0.071922 1Rh 8s -0.185859 -0.025939 -0.068910 0.038162 -0.158342 0.079589 1Rh 1pz -0.002753 0.001704 -0.002778 -0.005749 0.002180 0.003130 1Rh 1px 0.002112 0.000013 0.004696 -0.003029 0.003240 0.001324 1Rh 1py -0.000557 -0.000619 0.003486 -0.002688 -0.006698 0.000906 1Rh 2pz 0.010708 -0.006604 0.010959 0.021986 -0.008334 -0.012072 1Rh 2px -0.008477 -0.000147 -0.018669 0.011850 -0.012608 -0.005172 1Rh 2py 0.002174 0.002438 -0.013526 0.010404 0.025748 -0.003507 1Rh 3pz -0.024122 0.014173 -0.027479 -0.040894 0.015404 0.024519 1Rh 3px 0.024461 0.002270 0.049830 -0.027644 0.027908 0.011784 1Rh 3py -0.004817 -0.006020 0.029486 -0.021800 -0.050556 0.007177 1Rh 4pz 0.013184 -0.003667 0.023173 -0.014195 0.006264 -0.000853 1Rh 4px -0.033485 -0.008173 -0.053186 0.016165 -0.010509 -0.005003 1Rh 4py 0.000991 0.004242 -0.010709 0.002778 -0.005933 0.000727 1Rh 5pz 0.001028 -0.019617 -0.009066 0.095250 -0.038636 -0.035979 1Rh 5px 0.049999 0.013601 0.045388 0.007140 -0.018526 -0.015312 1Rh 5py 0.007585 0.003765 -0.020550 0.031047 0.094243 -0.013325 1Rh 6pz 0.041398 0.196592 0.028400 -0.082869 0.064429 -0.028058 1Rh 6px -0.503520 0.027684 -0.303692 0.057292 -0.125886 0.253329 1Rh 6py -0.181458 -0.083926 0.062071 -0.048823 -0.066058 -0.128525 1Rh 1dz2 0.026470 0.143465 -0.018526 -0.135032 0.015951 -0.064090 1Rh 1dxz 0.063254 0.042112 0.009133 0.052878 -0.038424 -0.076379 1Rh 1dyz -0.065320 -0.086674 0.044850 0.048522 -0.018193 0.019489 1Rh 1dx2y2 0.031305 0.080000 -0.022082 -0.023280 -0.067995 -0.072436 1Rh 1dxy 0.006534 0.030907 -0.040716 0.038718 0.102289 -0.043730 1Rh 2dz2 0.003440 0.022685 -0.003211 -0.019381 0.001917 -0.012267 1Rh 2dxz 0.009200 0.005994 0.000008 0.006320 -0.005757 -0.010917 1Rh 2dyz -0.012907 -0.012657 0.007442 0.008718 -0.000472 0.000777 1Rh 2dx2y2 0.004577 0.012484 -0.001978 -0.004693 -0.008483 -0.011406 1Rh 2dxy -0.000488 0.005101 -0.004554 0.005173 0.014200 -0.006920 1Rh 3dz2 -0.110695 -0.621343 0.081492 0.581086 -0.066972 0.291119 1Rh 3dxz -0.270158 -0.179604 -0.032831 -0.221638 0.166644 0.329571 1Rh 3dyz 0.295932 0.370601 -0.196471 -0.217126 0.068181 -0.074131 1Rh 3dx2y2 -0.133466 -0.345528 0.088600 0.106538 0.286673 0.317182 1Rh 3dxy -0.020700 -0.134962 0.167592 -0.165005 -0.438508 0.192045 1Rh 4dz2 0.128893 0.809705 -0.106160 -0.758322 0.086300 -0.414284 1Rh 4dxz 0.345073 0.228923 0.029127 0.277962 -0.220467 -0.433727 1Rh 4dyz -0.431580 -0.476040 0.267433 0.301702 -0.065858 0.069039 1Rh 4dx2y2 0.165973 0.446012 -0.100826 -0.150227 -0.362815 -0.426623 1Rh 4dxy 0.003225 0.178144 -0.198397 0.213866 0.571936 -0.263252 1Rh 5dz2 0.080964 -0.539167 0.044557 0.478712 -0.069850 0.429536 1Rh 5dxz -0.202929 -0.134191 0.053048 -0.145046 0.161256 0.284009 1Rh 5dyz 0.737219 0.331084 -0.307252 -0.282855 -0.085884 0.168082 1Rh 5dx2y2 -0.051260 -0.261861 -0.022888 0.131349 0.180170 0.327434 1Rh 5dxy 0.199135 -0.117570 0.010128 -0.143201 -0.390521 0.261211 1Rh 1f0 -0.000744 -0.012210 -0.002850 -0.013769 0.000632 -0.009091 1Rh 1f+1 -0.010463 -0.006491 0.000143 -0.004034 0.005058 0.015068 1Rh 1f-1 -0.004080 0.007049 -0.001688 0.008056 0.004664 0.001788 1Rh 1f+2 0.005096 0.003631 -0.001107 0.006696 0.006414 -0.003876 1Rh 1f-2 -0.000442 -0.001655 0.000797 -0.006693 -0.007767 -0.001451 1Rh 1f+3 0.010094 -0.013183 -0.008709 -0.009660 0.006316 -0.013191 1Rh 1f-3 0.002857 0.005269 0.005196 -0.006087 -0.008775 -0.007012 2C 1s 0.002697 0.002432 -0.000349 0.008037 0.000899 -0.005923 2C 2s 0.006042 0.005600 -0.001374 0.024495 0.003123 -0.017906 2C 3s -0.004782 0.020208 0.029016 -0.334283 -0.078441 0.212918 2C 4s -0.227174 -0.241163 -0.170900 0.826321 0.321589 -0.324534 2C 5s 0.359265 0.293301 0.183467 -0.306171 0.241505 -0.118790 2C 1pz -0.042404 -0.015174 -0.015676 -0.197469 -0.036655 0.132685 2C 1px -0.071834 -0.009943 -0.018015 -0.041418 -0.007569 0.017027 2C 1py -0.037252 0.002162 0.022290 -0.098879 -0.022233 0.095318 2C 2pz -0.218979 -0.205198 -0.408386 0.739459 0.072655 -0.750181 2C 2px 0.263307 0.195618 0.301115 -0.288254 0.052756 0.660363 2C 2py 0.308288 0.277427 0.312130 0.783285 0.375723 -0.004221 2C 3pz 0.086804 0.017335 0.103583 0.059824 0.070805 -0.027345 2C 3px 0.170979 -0.030175 -0.035212 0.004219 -0.029223 -0.034310 2C 3py 0.089517 0.099326 -0.073779 -0.063545 0.048464 -0.104706 2C 1dz2 0.105747 0.096673 0.089571 -0.050119 0.032623 0.146883 2C 1dxz -0.145328 -0.017872 -0.004492 0.171529 0.035824 -0.137775 2C 1dyz -0.063745 -0.001370 0.022760 -0.201871 -0.030062 0.194825 2C 1dx2y2 0.086084 0.111900 0.166660 0.034504 0.074592 0.155364 2C 1dxy -0.227248 -0.098617 -0.201919 -0.103565 -0.060724 -0.151477 2C 2dz2 -0.200103 -0.192136 -0.197007 0.411277 -0.028164 -0.478950 2C 2dxz 0.594872 0.125083 0.170698 0.072124 0.039831 0.134394 2C 2dyz 0.116511 0.103136 0.011233 0.621466 0.172255 -0.345944 2C 2dx2y2 -0.206806 -0.104540 -0.049314 -0.262891 -0.106356 0.160634 2C 2dxy 0.342316 0.073141 0.137095 0.011739 0.004053 0.143974 2C 1f0 -0.227830 -0.048489 -0.112408 0.078798 -0.041231 -0.144608 2C 1f+1 0.261828 0.168492 0.174628 0.169668 0.077675 0.034557 2C 1f-1 0.091983 0.064670 0.028021 0.325037 0.046317 -0.201854 2C 1f+2 0.066903 0.165304 0.083476 -0.068359 -0.028177 0.146695 2C 1f-2 0.160707 -0.011380 0.016257 -0.126176 -0.022073 0.100890 2C 1f+3 0.143499 -0.087995 -0.053784 0.087737 -0.003890 -0.147709 2C 1f-3 -0.105240 0.010900 -0.086677 0.100967 -0.001884 -0.144480 3C 1s -0.000838 -0.004415 0.002708 0.001083 -0.010116 0.000355 3C 2s -0.001440 -0.010919 0.007125 0.003897 -0.030602 0.000929 3C 3s -0.043939 0.019026 -0.060500 -0.100807 0.388778 0.012591 3C 4s 0.391718 0.141716 0.049889 0.443302 -0.810235 -0.138107 3C 5s 0.110299 -0.210578 0.202264 -0.102933 0.121825 -0.109285 3C 1pz -0.007393 0.020823 -0.005038 -0.032786 0.119893 -0.007721 3C 1px 0.037867 0.005567 -0.053864 -0.015232 0.077921 0.005864 3C 1py 0.000787 -0.031890 0.068756 0.026676 -0.242630 -0.004685 3C 2pz 0.135964 -0.107427 0.246036 0.231859 -0.962347 -0.074827 3C 2px 0.013100 -0.254246 0.803611 -0.236203 0.134734 -0.602788 3C 2py -0.207092 0.068748 0.175844 -0.369739 0.802738 -0.192696 3C 3pz 0.078063 -0.114507 -0.011894 0.052777 -0.004984 0.009112 3C 3px -0.156387 -0.016962 0.016635 0.099911 -0.021792 0.025389 3C 3py -0.030540 -0.008164 -0.095597 0.058146 0.086047 0.076945 3C 1dz2 -0.044307 0.023801 0.090529 -0.041009 -0.020999 -0.044597 3C 1dxz 0.009344 0.088423 -0.322422 0.122608 -0.057801 0.229569 3C 1dyz 0.006398 0.008219 0.012671 0.053138 -0.339059 0.044685 3C 1dx2y2 0.040641 0.025443 -0.180185 0.046873 -0.022393 0.103204 3C 1dxy -0.111437 -0.031974 0.117043 0.006816 0.027452 -0.040641 3C 2dz2 0.087987 -0.058079 -0.067421 0.049136 0.003164 0.001039 3C 2dxz -0.137517 -0.108810 0.404960 0.006494 -0.197742 -0.141164 3C 2dyz -0.154960 0.103122 0.039219 -0.172126 0.703985 -0.065356 3C 2dx2y2 -0.096347 -0.008639 0.155881 -0.145401 0.588059 -0.158824 3C 2dxy 0.215213 0.146011 -0.564889 0.019632 0.229767 0.247877 3C 1f0 0.052189 -0.015057 0.008358 -0.057601 0.256004 -0.058580 3C 1f+1 0.052561 0.018047 -0.190318 0.051846 -0.034109 0.080050 3C 1f-1 -0.013641 -0.015863 -0.008839 -0.053348 0.170989 -0.011078 3C 1f+2 -0.070092 -0.012226 0.096275 -0.031000 0.102898 -0.038982 3C 1f-2 0.074086 -0.100501 -0.095767 -0.035397 0.073979 0.028186 3C 1f+3 -0.079423 -0.149456 0.342960 -0.042161 -0.229708 -0.126001 3C 1f-3 -0.099142 0.049658 0.119985 -0.051354 0.320775 -0.083230 4C 1s 0.006947 0.002314 0.001271 0.011923 0.001409 -0.010667 4C 2s 0.020565 0.006168 0.003131 0.034995 0.004369 -0.030505 4C 3s -0.113342 -0.071867 -0.002616 -0.198382 -0.049845 0.169892 4C 4s -0.350957 0.083263 -0.113422 -0.560117 0.043443 0.443034 4C 5s -0.446869 0.107360 -0.182258 0.121290 -0.031457 -0.007132 4C 1pz 0.082283 0.019795 -0.007708 0.185120 0.005114 -0.181793 4C 1px 0.106858 0.023329 0.029557 -0.020921 0.005470 0.050817 4C 1py 0.122181 0.006079 0.036663 0.130258 0.029859 -0.087401 4C 2pz 0.082733 -0.059123 0.027130 0.559121 0.361175 -0.085700 4C 2px -0.864008 -0.173279 -0.350394 0.443791 -0.014009 -0.255416 4C 2py -0.470565 0.006140 -0.274638 0.347594 0.021752 -0.155342 4C 3pz 0.118411 0.349497 -0.017872 -0.518314 0.164656 0.171944 4C 3px 0.006404 0.098757 0.019459 -0.022369 -0.020114 -0.004164 4C 3py 0.050238 0.025523 0.039110 -0.308704 0.047985 0.116864 4C 1dz2 -0.081363 0.084687 -0.000312 -0.038997 0.014802 0.064280 4C 1dxz 0.090293 0.045150 0.001183 -0.090458 -0.008885 0.073546 4C 1dyz -0.077297 -0.081833 -0.033508 -0.107638 -0.021479 0.071020 4C 1dx2y2 -0.021824 0.044201 -0.017141 0.035105 0.012081 -0.028452 4C 1dxy 0.018875 0.000465 0.022909 -0.003111 0.009122 0.101740 4C 2dz2 -0.204233 -0.309204 -0.130321 -0.198701 -0.170338 -0.297550 4C 2dxz 0.387202 0.111365 0.304355 -0.127929 -0.061681 0.444082 4C 2dyz 0.043756 0.185122 0.147826 -0.128055 -0.018467 0.136420 4C 2dx2y2 0.038759 -0.044247 0.039374 0.212639 0.109683 0.068202 4C 2dxy 0.263885 0.073946 -0.053831 -0.216370 -0.034892 0.098465 4C 1f0 -0.114054 -0.126288 -0.134105 -0.093713 -0.032604 -0.117196 4C 1f+1 0.189007 0.163462 0.130749 0.105082 0.007923 0.055631 4C 1f-1 -0.020748 0.024846 0.112710 -0.116431 0.029750 0.216976 4C 1f+2 0.190372 -0.007801 0.121401 0.048281 0.088737 0.064265 4C 1f-2 0.051817 -0.187275 -0.108475 -0.037253 -0.016371 -0.106205 4C 1f+3 0.064966 0.025059 -0.126801 -0.208958 -0.097464 -0.060916 4C 1f-3 0.233416 -0.113134 0.070398 -0.026721 0.019715 -0.055528 5C 1s -0.003455 -0.002565 0.005628 0.000390 -0.016256 0.000779 5C 2s -0.009514 -0.007859 0.016602 0.001854 -0.047342 0.001747 5C 3s 0.010113 0.127053 -0.101949 -0.020623 0.272518 0.021204 5C 4s 0.330497 -0.231524 -0.208499 -0.028383 0.713503 -0.160552 5C 5s 0.195726 -0.165552 -0.188590 0.090353 -0.047666 0.100607 5C 1pz -0.019428 0.003959 0.048958 0.015410 -0.184917 0.004449 5C 1px -0.089382 -0.020944 0.130644 -0.015145 -0.042923 -0.048538 5C 1py 0.039930 0.033159 -0.056269 -0.013393 0.241414 -0.024540 5C 2pz 0.132786 -0.132897 0.100316 0.116236 -0.103667 -0.002502 5C 2px 0.562114 -0.169286 -0.773347 0.225695 -0.450487 0.044561 5C 2py -0.311670 0.026088 -0.253811 -0.333781 0.576078 0.197166 5C 3pz 0.061298 0.007916 -0.008231 -0.052955 0.302754 -0.093672 5C 3px 0.105221 -0.074757 0.011036 -0.077991 0.124019 -0.005003 5C 3py -0.180546 0.327108 0.001798 0.006890 -0.485097 0.125387 5C 1dz2 -0.039706 0.078881 -0.017285 0.005268 -0.034675 0.054970 5C 1dxz -0.027630 0.041196 0.032898 -0.041212 0.068968 -0.052710 5C 1dyz -0.055282 -0.061536 0.082430 -0.007850 -0.097408 -0.014355 5C 1dx2y2 -0.038263 0.045257 0.041421 0.006538 -0.085892 -0.024362 5C 1dxy 0.046759 -0.004756 -0.020459 -0.015353 -0.125613 0.020512 5C 2dz2 0.111468 -0.070912 -0.028147 -0.038804 -0.072253 -0.018149 5C 2dxz -0.260381 -0.043317 0.043794 -0.016868 0.218640 0.058603 5C 2dyz -0.039690 0.047447 0.176127 0.009680 -0.061612 -0.131986 5C 2dx2y2 0.091313 -0.283616 0.306159 0.089341 -0.077197 -0.259389 5C 2dxy 0.233098 0.132966 -0.468437 0.330273 -0.285109 0.382488 5C 1f0 0.035998 -0.037687 0.090357 -0.055091 -0.230260 -0.099612 5C 1f+1 -0.141893 0.180202 0.069111 0.059039 -0.050367 0.083598 5C 1f-1 -0.070958 0.125841 -0.033857 0.100880 -0.093144 0.051812 5C 1f+2 -0.114247 -0.104672 0.041998 0.028661 -0.070628 0.085264 5C 1f-2 0.043045 -0.005724 0.201033 -0.047515 -0.004876 -0.120740 5C 1f+3 -0.094064 -0.014992 0.284598 -0.113716 0.037049 -0.128136 5C 1f-3 -0.015137 0.035894 0.079462 0.024460 -0.029032 -0.050510 6C 1s 0.003790 -0.002182 -0.005684 -0.000404 0.016418 -0.000760 6C 2s 0.010531 -0.006811 -0.016752 -0.001900 0.047774 -0.001690 6C 3s -0.026029 0.124954 0.102098 0.020445 -0.274471 -0.020784 6C 4s -0.305608 -0.265188 0.215824 0.029964 -0.716581 0.151438 6C 5s -0.173736 -0.174041 0.199149 -0.085823 0.055398 -0.111908 6C 1pz -0.019761 -0.005890 0.049952 0.015499 -0.185804 0.003526 6C 1px -0.088585 0.013462 0.127630 -0.014855 -0.041302 -0.050011 6C 1py 0.046202 -0.029341 -0.057393 -0.013612 0.243217 -0.023986 6C 2pz 0.112084 0.143822 0.097388 0.113638 -0.103475 -0.001889 6C 2px 0.563591 0.213448 -0.756825 0.226410 -0.459329 0.055959 6C 2py -0.319671 -0.051655 -0.250975 -0.330560 0.573260 0.200130 6C 3pz 0.057470 0.005482 -0.017774 -0.058161 0.306866 -0.091037 6C 3px 0.090477 0.085896 0.004107 -0.081410 0.128146 -0.007102 6C 3py -0.130046 -0.351752 0.017382 0.016811 -0.491918 0.121980 6C 1dz2 0.032748 0.082500 0.016961 -0.005928 0.035858 -0.056051 6C 1dxz 0.022643 0.044218 -0.031902 0.041294 -0.069205 0.052831 6C 1dyz 0.063902 -0.056599 -0.082346 0.008474 0.098225 0.015718 6C 1dx2y2 0.031635 0.049076 -0.041529 -0.007251 0.085575 0.025360 6C 1dxy -0.045469 -0.008255 0.020084 0.014976 0.126813 -0.021216 6C 2dz2 -0.106659 -0.081924 0.022269 0.039601 0.073409 0.022156 6C 2dxz 0.267407 -0.022874 -0.036433 0.014273 -0.221189 -0.060857 6C 2dyz 0.024616 0.053526 -0.169910 -0.011349 0.058675 0.133194 6C 2dx2y2 -0.067100 -0.291110 -0.294541 -0.087348 0.072077 0.261059 6C 2dxy -0.230295 0.109873 0.449901 -0.325932 0.294749 -0.389680 6C 1f0 0.041258 0.039160 0.090706 -0.054257 -0.231021 -0.102516 6C 1f+1 -0.129092 -0.192686 0.068516 0.059456 -0.050651 0.084570 6C 1f-1 -0.059706 -0.131322 -0.032613 0.101661 -0.093877 0.054026 6C 1f+2 -0.134393 0.095618 0.042131 0.027713 -0.073060 0.086646 6C 1f-2 0.045823 0.008538 0.196822 -0.047615 -0.001060 -0.125572 6C 1f+3 -0.091260 0.007298 0.279562 -0.113630 0.038499 -0.133378 6C 1f-3 -0.008114 -0.037702 0.078299 0.024232 -0.028492 -0.051547 7C 1s -0.007288 0.001619 -0.001337 -0.011952 -0.001777 0.010726 7C 2s -0.021492 0.004095 -0.003322 -0.035088 -0.005406 0.030678 7C 3s 0.124502 -0.055535 0.005487 0.199705 0.055288 -0.173056 7C 4s 0.338606 0.097355 0.105757 0.558348 -0.030272 -0.433851 7C 5s 0.431302 0.137268 0.175536 -0.126354 0.035144 0.013727 7C 1pz 0.089439 -0.011975 -0.006067 0.186139 0.010469 -0.182015 7C 1px 0.101864 -0.014106 0.025409 -0.023060 0.004590 0.049335 7C 1py 0.118236 0.004317 0.035782 0.130043 0.033682 -0.087182 7C 2pz 0.060686 0.079154 0.027014 0.558267 0.345469 -0.081452 7C 2px -0.850225 0.110557 -0.341816 0.447283 -0.019250 -0.236953 7C 2py -0.435879 -0.031017 -0.269544 0.356221 0.006161 -0.155868 7C 3pz 0.158662 -0.330407 0.000473 -0.508123 0.162316 0.162932 7C 3px 0.018620 -0.094885 0.020356 -0.018774 -0.020139 -0.007552 7C 3py 0.052751 -0.017161 0.050793 -0.304487 0.047268 0.110874 7C 1dz2 0.072541 0.092521 0.000238 0.037015 -0.013359 -0.065402 7C 1dxz -0.093907 0.038783 -0.000723 0.090442 0.009559 -0.071634 7C 1dyz 0.084510 -0.074896 0.033500 0.108795 0.025895 -0.072183 7C 1dx2y2 0.016357 0.045883 0.017576 -0.036319 -0.012050 0.027991 7C 1dxy -0.015234 -0.000936 -0.021489 0.003526 -0.007913 -0.100935 7C 2dz2 0.205989 -0.287636 0.116211 0.196292 0.161894 0.297970 7C 2dxz -0.346589 0.078585 -0.276487 0.139751 0.062623 -0.436161 7C 2dyz -0.049981 0.186331 -0.144635 0.127124 0.009911 -0.134692 7C 2dx2y2 -0.029253 -0.058575 -0.038254 -0.214821 -0.102045 -0.065717 7C 2dxy -0.258970 0.044251 0.063625 0.226305 0.042425 -0.090249 7C 1f0 -0.111662 0.117741 -0.130385 -0.096374 -0.033386 -0.118705 7C 1f+1 0.192754 -0.153784 0.127293 0.108400 0.013772 0.057295 7C 1f-1 -0.032672 -0.028758 0.108191 -0.117584 0.026916 0.217191 7C 1f+2 0.173014 0.023921 0.118426 0.047968 0.089614 0.063476 7C 1f-2 0.038720 0.192367 -0.104211 -0.038183 -0.016122 -0.104637 7C 1f+3 0.086534 -0.019695 -0.122534 -0.208784 -0.100207 -0.066679 7C 1f-3 0.211775 0.131192 0.068969 -0.031476 0.022745 -0.057777 8C 1s 0.001368 -0.004240 -0.002745 -0.001064 0.010176 -0.000310 8C 2s 0.002709 -0.010525 -0.007226 -0.003853 0.030781 -0.000813 8C 3s 0.044830 0.022065 0.060864 0.100352 -0.390477 -0.012757 8C 4s -0.423279 0.105044 -0.049024 -0.440205 0.811165 0.135677 8C 5s -0.074400 -0.232452 -0.191382 0.110825 -0.128601 0.111179 8C 1pz -0.004451 -0.021078 -0.005569 -0.032969 0.120538 -0.007941 8C 1px 0.039900 -0.002196 -0.053643 -0.015124 0.078355 0.006549 8C 1py -0.001330 0.031183 0.069189 0.026519 -0.243527 -0.005493 8C 2pz 0.132753 0.121106 0.254232 0.226621 -0.966309 -0.082626 8C 2px 0.010473 0.249179 0.772591 -0.233166 0.156310 -0.615309 8C 2py -0.192514 -0.081006 0.164557 -0.367711 0.814093 -0.199053 8C 3pz 0.060080 0.121702 -0.013894 0.052191 -0.004058 0.010908 8C 3px -0.163035 0.006678 0.019143 0.097707 -0.023720 0.025894 8C 3py -0.031789 0.002173 -0.092303 0.059641 0.083290 0.079507 8C 1dz2 0.039801 0.028387 -0.085471 0.039017 0.021650 0.043299 8C 1dxz -0.008285 0.085598 0.313422 -0.122003 0.062666 -0.235337 8C 1dyz -0.008093 0.006972 -0.015599 -0.052984 0.342571 -0.045071 8C 1dx2y2 -0.037347 0.021697 0.174301 -0.046692 0.024293 -0.104936 8C 1dxy 0.116014 -0.022538 -0.113254 -0.007120 -0.030785 0.041177 8C 2dz2 -0.081387 -0.067713 0.062686 -0.047896 -0.002671 0.000045 8C 2dxz 0.147943 -0.095423 -0.396369 -0.005993 0.195748 0.144535 8C 2dyz 0.146196 0.114469 -0.030721 0.170830 -0.709204 0.064419 8C 2dx2y2 0.090597 -0.001830 -0.145024 0.144600 -0.594875 0.161592 8C 2dxy -0.226972 0.125263 0.552507 -0.018672 -0.224622 -0.254707 8C 1f0 0.057019 0.020402 0.003120 -0.058115 0.258386 -0.058912 8C 1f+1 0.049030 -0.011682 -0.184622 0.052049 -0.039679 0.083462 8C 1f-1 -0.017232 0.015951 -0.009424 -0.054303 0.171816 -0.011603 8C 1f+2 -0.074740 0.003416 0.094493 -0.031317 0.105656 -0.041135 8C 1f-2 0.065184 0.108207 -0.092344 -0.036067 0.070387 0.028699 8C 1f+3 -0.091391 0.142096 0.337681 -0.042764 -0.230773 -0.131060 8C 1f-3 -0.094493 -0.055283 0.114628 -0.050487 0.323100 -0.084536 9C 1s -0.003112 0.001966 0.000292 -0.008107 -0.001076 0.005960 9C 2s -0.007058 0.004470 0.001229 -0.024682 -0.003580 0.017965 9C 3s 0.004606 0.023695 -0.028528 0.335684 0.078479 -0.210980 9C 4s 0.249280 -0.226035 0.170226 -0.829419 -0.298327 0.312385 9C 5s -0.391307 0.254532 -0.202038 0.298706 -0.250385 0.128790 9C 1pz -0.043330 0.009829 -0.015967 -0.197730 -0.039146 0.131520 9C 1px -0.071056 0.004449 -0.018296 -0.041409 -0.008714 0.017467 9C 1py -0.041069 -0.007131 0.021530 -0.100115 -0.023750 0.096571 9C 2pz -0.177608 0.206075 -0.389408 0.750593 0.066739 -0.750429 9C 2px 0.228423 -0.156025 0.262289 -0.312501 0.030711 0.638359 9C 2py 0.283357 -0.249694 0.302056 0.781254 0.379051 0.012217 9C 3pz 0.080743 -0.007904 0.105004 0.060649 0.071825 -0.027632 9C 3px 0.170472 0.042406 -0.028709 0.008371 -0.024824 -0.030815 9C 3py 0.110209 -0.088466 -0.069787 -0.061627 0.048363 -0.108222 9C 1dz2 -0.099071 0.089343 -0.084657 0.052186 -0.031843 -0.147723 9C 1dxz 0.143528 -0.000870 -0.003038 -0.178281 -0.041344 0.131675 9C 1dyz 0.067006 0.003215 -0.020342 0.202410 0.034566 -0.192449 9C 1dx2y2 -0.075593 0.105714 -0.161707 -0.034918 -0.075219 -0.157259 9C 1dxy 0.204760 -0.079419 0.188906 0.101125 0.060912 0.147813 9C 2dz2 0.183595 -0.183322 0.184211 -0.413109 0.026462 0.474764 9C 2dxz -0.580327 0.069514 -0.155103 -0.063486 -0.037939 -0.124977 9C 2dyz -0.127037 0.085834 -0.012071 -0.625898 -0.178242 0.343608 9C 2dx2y2 0.212384 -0.086601 0.050261 0.267024 0.110953 -0.158447 9C 2dxy -0.324052 0.040289 -0.124443 -0.005248 -0.000852 -0.137506 9C 1f0 -0.213473 0.031483 -0.105970 0.078152 -0.041915 -0.139257 9C 1f+1 0.252933 -0.144991 0.168664 0.168310 0.081423 0.033889 9C 1f-1 0.096023 -0.057710 0.027920 0.329485 0.051625 -0.200222 9C 1f+2 0.076431 -0.161919 0.080638 -0.064509 -0.027964 0.143980 9C 1f-2 0.160704 0.019286 0.014429 -0.127666 -0.025081 0.095898 9C 1f+3 0.148463 0.107522 -0.049965 0.082583 -0.001125 -0.148792 9C 1f-3 -0.084078 -0.016332 -0.082348 0.107831 0.000534 -0.149560 10H 1s 0.207766 0.057590 0.063346 0.056656 0.008846 -0.007786 10H 2s 0.078215 -0.048954 -0.207502 0.336029 -0.019730 -0.508832 10H 3s -0.045758 0.027235 0.071709 -0.059728 0.009966 0.193467 10H 1pz 0.053672 -0.012489 -0.043601 0.181977 0.013459 -0.217298 10H 1px 0.057555 0.039328 0.107498 -0.079969 0.030250 0.172863 10H 1py -0.020162 -0.032807 -0.099660 0.044750 -0.025692 -0.147472 11H 1s 0.014574 0.066877 0.049929 0.122727 0.047397 -0.054263 11H 2s -0.185440 -0.084487 -0.242633 -0.333506 -0.187633 0.043072 11H 3s 0.062423 -0.014717 0.081796 0.147292 0.023215 0.038193 11H 1pz -0.030307 -0.051170 -0.107128 -0.143350 -0.082969 -0.004380 11H 1px -0.099547 -0.069979 -0.114566 -0.134335 -0.055748 -0.015230 11H 1py 0.030278 -0.089243 -0.012289 0.089442 0.006270 -0.099357 12H 1s -0.063322 -0.061169 -0.071691 0.064636 -0.014639 -0.124998 12H 2s 0.213206 0.330411 0.382966 0.163032 0.168600 0.411671 12H 3s -0.048529 -0.092684 -0.206316 -0.070491 -0.085532 -0.162759 12H 1pz 0.080244 0.103159 0.061133 0.109789 0.032981 -0.020884 12H 1px 0.007177 0.106485 0.094396 0.070889 0.038954 0.080448 12H 1py 0.179648 0.180794 0.249269 0.082293 0.095797 0.233032 13H 1s -0.086762 -0.044716 0.170437 -0.014424 -0.066080 -0.037339 13H 2s -0.079608 -0.006729 -0.158531 0.189503 -0.471791 0.260672 13H 3s 0.062159 -0.026763 0.064138 -0.070945 0.129668 -0.107079 13H 1pz -0.027248 0.013485 -0.155900 0.095648 -0.185144 0.151468 13H 1px 0.007058 -0.013769 0.057646 -0.040994 0.078430 -0.071572 13H 1py 0.029485 0.002552 -0.002657 -0.050347 0.217177 -0.063260 14H 1s 0.022813 0.015398 -0.094572 0.030330 -0.121446 0.059465 14H 2s 0.030516 -0.244784 0.495652 -0.197381 -0.012399 -0.375987 14H 3s -0.064203 0.042866 -0.199479 0.141001 0.002394 0.161452 14H 1pz -0.016610 -0.071844 0.238428 -0.079752 0.009466 -0.147111 14H 1px 0.029076 -0.114896 0.236602 -0.108505 -0.007281 -0.179541 14H 1py 0.005613 0.086675 -0.103474 0.015788 0.112455 0.042227 15H 1s 0.024999 -0.058839 0.054406 0.007987 -0.130945 -0.018769 15H 2s 0.000016 -0.074177 -0.254187 0.001845 0.307817 0.143577 15H 3s -0.032353 0.049931 0.075067 -0.025064 -0.094190 -0.074881 15H 1pz -0.035399 0.065361 0.066527 0.003311 -0.147993 -0.015383 15H 1px -0.002711 0.050667 -0.097159 0.033410 0.003516 0.060086 15H 1py 0.021941 0.017645 0.112587 -0.005896 -0.139784 -0.066085 16H 1s 0.150076 0.028938 -0.043563 0.062189 -0.116344 0.000646 16H 2s 0.139982 0.114112 -0.026839 0.122380 -0.224899 0.083445 16H 3s -0.062697 -0.035209 0.021256 -0.071497 0.048987 0.012808 16H 1pz 0.175139 0.076719 -0.033171 0.094238 -0.170268 0.028990 16H 1px -0.005829 0.007946 -0.003334 0.008302 0.009695 -0.002928 16H 1py 0.097245 0.012502 -0.026570 0.049369 -0.073051 -0.009994 17H 1s -0.001817 -0.016393 0.016256 -0.088360 0.065408 -0.031628 17H 2s -0.039704 0.072912 0.037365 -0.109168 0.062978 0.111577 17H 3s -0.000514 0.031609 0.017325 0.070505 -0.074050 -0.009486 17H 1pz -0.010663 -0.019905 -0.007988 0.064489 -0.038828 -0.024799 17H 1px -0.000408 -0.024028 -0.023794 0.061083 -0.041598 -0.014967 17H 1py 0.003203 -0.011888 0.011964 -0.078179 0.069586 -0.009349 18H 1s 0.004411 -0.009684 -0.012797 0.086965 -0.061216 0.018744 18H 2s 0.039933 0.092277 -0.033828 0.105118 -0.058390 -0.134291 18H 3s -0.000700 0.026739 -0.020641 -0.070321 0.071850 0.017301 18H 1pz -0.010509 0.026365 -0.005431 0.065511 -0.037140 -0.035548 18H 1px 0.000986 0.031707 -0.021829 0.059206 -0.038989 -0.026729 18H 1py 0.000530 0.005696 0.008973 -0.074489 0.065514 0.002092 19H 1s -0.149016 0.016839 0.040641 -0.060354 0.113494 0.011495 19H 2s -0.145959 0.098011 0.020969 -0.113768 0.219019 -0.058572 19H 3s 0.067938 -0.027299 -0.016306 0.070685 -0.045400 -0.020596 19H 1pz 0.175645 -0.061291 -0.028497 0.088439 -0.164598 0.011776 19H 1px -0.006101 -0.008961 -0.002356 0.008520 0.011049 -0.001098 19H 1py 0.101480 -0.004454 -0.024703 0.048966 -0.074056 -0.019423 20H 1s -0.020522 -0.060227 -0.054774 -0.007270 0.131846 0.020013 20H 2s 0.017864 -0.069223 0.251554 -0.003136 -0.307953 -0.147947 20H 3s 0.022670 0.051849 -0.075147 0.025230 0.094123 0.077996 20H 1pz -0.026348 -0.067654 0.065300 0.004117 -0.148880 -0.015326 20H 1px -0.000875 -0.051274 -0.095256 0.033842 0.003778 0.061849 20H 1py 0.030658 -0.013916 0.111521 -0.006843 -0.139743 -0.068525 21H 1s -0.020309 0.013931 0.089978 -0.030399 0.122853 -0.060353 21H 2s -0.023110 -0.242992 -0.481288 0.196766 0.002062 0.387500 21H 3s 0.068253 0.046931 0.192810 -0.140419 0.001606 -0.165889 21H 1pz -0.017206 0.069109 0.232537 -0.079656 0.013683 -0.152236 21H 1px 0.026826 0.115495 0.228951 -0.107983 -0.003267 -0.184071 21H 1py 0.012178 -0.086145 -0.101912 0.016033 0.111932 0.043918 22H 1s 0.092004 -0.036630 -0.166974 0.014130 0.065157 0.038832 22H 2s 0.095648 -0.000479 0.143660 -0.186228 0.484500 -0.264076 22H 3s -0.064329 -0.029740 -0.058056 0.069266 -0.134232 0.108246 22H 1pz -0.034480 -0.014756 -0.147269 0.093972 -0.189743 0.153408 22H 1px 0.007308 0.014222 0.055488 -0.040661 0.081987 -0.073349 22H 1py 0.033545 0.000257 -0.006869 -0.049358 0.221829 -0.063500 23H 1s 0.054184 -0.058369 0.066962 -0.064791 0.013311 0.125133 23H 2s -0.187202 0.309764 -0.364537 -0.156950 -0.171008 -0.415783 23H 3s 0.033272 -0.088346 0.199296 0.068289 0.086808 0.162747 23H 1pz 0.082097 -0.096615 0.058150 0.110151 0.035375 -0.019971 23H 1px 0.004048 -0.105526 0.089130 0.070382 0.039300 0.079454 23H 1py 0.159925 -0.165790 0.238186 0.079446 0.097427 0.235238 24H 1s -0.016394 0.065361 -0.050319 -0.124682 -0.050267 0.053525 24H 2s 0.158483 -0.084888 0.242221 0.337245 0.197125 -0.029336 24H 3s -0.048391 -0.015044 -0.080997 -0.149868 -0.026436 -0.044591 24H 1pz -0.018451 0.055195 -0.107474 -0.145416 -0.086777 -0.011327 24H 1px -0.089552 0.066728 -0.112635 -0.137068 -0.059550 -0.018712 24H 1py 0.021292 0.091589 -0.012161 0.087670 0.007861 -0.098728 25H 1s -0.204920 0.038645 -0.059115 -0.055474 -0.010627 0.010193 25H 2s -0.111931 -0.054245 0.185521 -0.349307 0.005902 0.501640 25H 3s 0.058365 0.028535 -0.060861 0.065636 -0.002804 -0.189726 25H 1pz 0.062911 0.015921 -0.035037 0.188034 0.020630 -0.214852 25H 1px 0.045376 -0.033704 0.099482 -0.084406 0.026602 0.169851 25H 1py -0.004407 0.030778 -0.091631 0.046160 -0.022905 -0.145508 26O 1s -0.009768 0.001964 0.000749 0.002834 0.001849 -0.004037 26O 2s -0.032124 0.007182 0.003514 0.008655 0.005857 -0.014457 26O 3s 0.193781 -0.062838 -0.063600 -0.040824 -0.038100 0.131149 26O 4s -0.303822 0.083828 0.236568 -0.028472 0.046203 -0.381524 26O 5s 0.969519 -0.252461 -0.025562 -0.191690 -0.251721 0.241343 26O 1pz 0.086107 0.014381 0.063715 -0.015621 0.020553 0.093428 26O 1px -0.060298 -0.020652 -0.008534 0.049622 0.015554 -0.029596 26O 1py 0.013925 0.010123 -0.035400 -0.068225 -0.040721 -0.025703 26O 2pz -0.369525 -0.043851 -0.246235 0.030219 -0.065045 -0.256044 26O 2px -0.073348 0.063516 -0.125565 -0.043908 -0.022831 0.133124 26O 2py -0.148266 -0.056012 0.067074 0.247703 0.134804 0.105905 26O 3pz 0.389074 -0.090020 -0.056018 0.033146 -0.054457 0.052091 26O 3px -0.125868 -0.012837 0.002421 0.110863 0.071351 -0.098594 26O 3py 0.132941 0.117901 0.023784 0.171494 -0.019516 0.133884 26O 1dz2 0.007831 -0.005031 0.001597 -0.009187 0.000439 -0.008459 26O 1dxz -0.019738 -0.004861 -0.003854 -0.007479 0.000166 -0.008570 26O 1dyz -0.005238 0.002439 0.001381 -0.000175 0.001768 0.005992 26O 1dx2y2 0.004660 -0.006703 -0.012152 -0.008640 -0.003512 -0.005487 26O 1dxy -0.004911 0.000199 0.003375 0.004200 0.002546 0.004928 26O 2dz2 0.087442 -0.054114 -0.002605 -0.041394 0.004215 0.026694 26O 2dxz 0.206329 -0.004497 0.128649 -0.027654 0.032783 0.099233 26O 2dyz 0.171092 0.059278 0.070377 -0.015366 0.007327 0.134783 26O 2dx2y2 0.038568 -0.069660 0.078822 0.083306 0.056785 -0.047327 26O 2dxy 0.058028 0.034220 -0.072547 -0.124613 -0.071902 -0.061090 26O 1f0 -0.014725 -0.018206 -0.023747 0.008096 0.000657 -0.025100 26O 1f+1 0.042399 -0.010987 0.003949 -0.013244 -0.002826 0.010826 26O 1f-1 0.007458 -0.005669 -0.002868 -0.006898 -0.002567 0.014503 26O 1f+2 -0.023442 -0.016975 -0.009444 -0.013778 -0.000891 0.002781 26O 1f-2 0.036190 0.011892 0.015769 -0.012319 0.008999 0.031335 26O 1f+3 0.002199 -0.004915 -0.012498 -0.041737 -0.013848 0.012963 26O 1f-3 0.027192 0.015380 0.023031 0.001756 0.004993 0.020929 27O 1s 0.011709 -0.000435 -0.003378 0.000988 -0.002500 0.002034 27O 2s 0.039330 -0.000554 -0.010796 0.002519 -0.007705 0.007863 27O 3s -0.275067 -0.027527 0.042510 0.004427 0.046326 -0.085814 27O 4s 0.489170 0.206212 -0.027751 -0.095933 -0.059807 0.315064 27O 5s -1.242238 0.240580 0.274862 0.011626 0.129147 -0.020800 27O 1pz -0.057596 -0.010413 0.012758 0.007468 0.069835 0.043828 27O 1px 0.021538 -0.011402 -0.061103 0.016128 -0.010864 0.047730 27O 1py 0.034826 -0.007417 -0.079116 0.046840 -0.048136 0.071616 27O 2pz 0.176078 0.069501 -0.015622 -0.030448 -0.191278 -0.134404 27O 2px 0.102476 -0.108690 -0.003428 0.034382 -0.002514 -0.227256 27O 2py -0.186054 0.069967 0.363166 -0.157453 0.110130 -0.191575 27O 3pz -0.193395 -0.110753 0.138768 -0.057453 -0.020677 -0.107658 27O 3px 0.256285 -0.121617 0.051777 0.047766 -0.111131 -0.080493 27O 3py 0.351552 -0.062948 -0.197716 -0.097401 0.046621 0.076396 27O 1dz2 0.002747 -0.006280 0.000732 -0.008865 -0.001804 -0.003901 27O 1dxz 0.011181 -0.001895 0.002166 -0.009336 -0.004872 -0.006257 27O 1dyz 0.001999 0.002048 -0.005566 0.004610 0.000140 0.004857 27O 1dx2y2 0.003629 -0.007197 -0.003303 -0.002265 -0.002252 -0.011958 27O 1dxy -0.012801 0.000129 0.014553 -0.002731 -0.002715 -0.003991 27O 2dz2 0.080877 -0.074963 -0.030244 -0.039233 -0.015038 -0.067388 27O 2dxz -0.078212 -0.067740 -0.059357 0.014896 0.121417 0.067289 27O 2dyz 0.068140 0.050761 -0.049561 0.010325 -0.045560 0.041197 27O 2dx2y2 0.043880 -0.021261 -0.106723 -0.020872 -0.035380 0.081110 27O 2dxy 0.112394 -0.053341 -0.225649 0.059100 -0.067103 0.108429 27O 1f0 0.007815 -0.004360 0.020211 -0.004751 -0.037611 -0.006874 27O 1f+1 -0.007776 -0.007488 0.029303 -0.008695 0.010645 -0.016253 27O 1f-1 -0.001353 0.005938 -0.004233 0.005605 -0.000836 -0.003686 27O 1f+2 -0.007085 0.005645 -0.007077 0.000103 0.022013 0.014149 27O 1f-2 0.017746 0.010627 -0.041767 0.002422 -0.006556 0.016287 27O 1f+3 -0.028014 0.011073 0.033961 -0.007400 0.022702 -0.017858 27O 1f-3 0.004003 -0.010745 0.015640 -0.010490 0.025846 -0.010334 28O 1s 0.004537 0.000337 -0.003551 -0.000829 0.000748 0.005031 28O 2s 0.016796 0.001317 -0.012358 -0.003559 0.002088 0.017513 28O 3s -0.144494 -0.011551 0.108597 0.026461 0.002480 -0.135965 28O 4s 0.416102 0.052628 -0.230343 -0.053807 -0.095166 0.324721 28O 5s -0.668650 -0.102197 0.361458 0.121034 -0.166970 -0.347294 28O 1pz -0.128018 -0.047303 -0.033149 -0.060310 -0.000823 -0.023202 28O 1px -0.059775 -0.037749 -0.035323 0.003866 -0.007259 -0.075707 28O 1py -0.133268 0.016739 0.010292 0.024878 -0.013560 0.047693 28O 2pz 0.396154 0.190104 0.156891 0.101982 0.073823 0.134486 28O 2px 0.221585 0.150412 0.093068 0.018609 -0.044850 0.210966 28O 2py 0.396576 -0.122159 -0.036886 -0.104041 0.040278 -0.124478 28O 3pz -0.566333 -0.095454 -0.016067 0.246139 0.161295 -0.225102 28O 3px -0.112293 -0.093094 0.154636 -0.003531 -0.044217 -0.041650 28O 3py -0.361568 0.110852 -0.059936 0.056039 0.006095 -0.237881 28O 1dz2 0.005825 0.000734 0.003350 0.005876 0.001377 0.014278 28O 1dxz 0.000628 -0.006895 -0.002373 0.004062 -0.001438 0.001125 28O 1dyz 0.002388 0.000165 -0.003391 -0.004122 -0.004244 -0.004477 28O 1dx2y2 -0.016368 -0.010363 0.002895 0.003160 0.003924 0.004039 28O 1dxy -0.011424 0.008369 0.001779 0.002062 0.003024 0.003602 28O 2dz2 -0.227050 -0.188344 -0.077157 -0.010431 0.008352 -0.057895 28O 2dxz -0.032152 0.015114 0.035619 0.074311 0.041173 0.013650 28O 2dyz -0.227334 0.086734 0.000911 0.031392 -0.006767 -0.017810 28O 2dx2y2 0.148526 0.032688 0.080657 0.060108 0.010921 0.084515 28O 2dxy 0.063909 -0.122948 -0.070542 -0.018844 0.009323 -0.119281 28O 1f0 -0.010955 0.006858 0.014688 0.016711 0.010633 -0.004221 28O 1f+1 0.016394 0.013842 0.010907 0.031771 0.006929 -0.016231 28O 1f-1 -0.032235 -0.002281 -0.008948 0.006425 0.003107 -0.013137 28O 1f+2 0.040366 0.011629 0.012039 -0.004240 0.009781 0.010643 28O 1f-2 0.031813 -0.001629 0.009755 -0.006614 0.003205 -0.001994 28O 1f+3 0.029905 0.013310 0.020782 0.027512 0.007544 0.000514 28O 1f-3 -0.014438 -0.017984 -0.026630 0.027474 -0.002568 -0.047692 29O 1s -0.008740 -0.000583 0.000250 0.000868 0.000433 0.002556 29O 2s -0.033111 -0.003052 0.001170 0.003135 0.002711 0.008702 29O 3s 0.322795 0.047645 -0.012272 -0.028175 -0.045880 -0.064236 29O 4s -0.710705 -0.124490 0.006761 0.055567 0.105478 0.124227 29O 5s 0.493401 -0.054890 0.082117 -0.049844 0.116057 -0.270474 29O 1pz -0.061745 -0.018134 0.022479 -0.044951 0.071233 -0.014763 29O 1px -0.003969 0.000810 -0.002281 -0.018145 0.011218 0.002234 29O 1py -0.031203 -0.015827 -0.001601 0.014816 0.025770 -0.004925 29O 2pz 0.265453 0.084887 -0.085768 0.233347 -0.327892 0.036759 29O 2px 0.005070 -0.012665 -0.006525 0.092744 -0.061109 -0.022823 29O 2py 0.139288 0.066076 -0.001196 -0.044595 -0.070571 0.023304 29O 3pz 0.004295 -0.014187 0.019002 -0.062882 0.051826 -0.008082 29O 3px -0.115287 -0.032816 -0.062485 -0.011817 0.019008 0.029976 29O 3py -0.087042 0.036757 0.007518 0.017406 -0.042939 0.090263 29O 1dz2 0.001227 0.005613 0.000781 -0.000112 0.001535 0.007202 29O 1dxz -0.000169 0.004685 0.002065 0.009114 -0.001121 -0.000709 29O 1dyz 0.004545 0.000688 0.000126 0.003104 -0.009735 -0.001139 29O 1dx2y2 -0.000266 0.008117 0.000749 0.005747 -0.006422 0.003393 29O 1dxy 0.001595 -0.001268 -0.003175 0.005826 0.005514 -0.003497 29O 2dz2 -0.117102 -0.022164 0.026494 -0.064223 0.106353 0.010837 29O 2dxz 0.014834 0.016573 -0.017039 0.094667 -0.063892 -0.002674 29O 2dyz -0.092737 -0.030189 0.035596 -0.095041 0.111481 -0.012561 29O 2dx2y2 0.027204 0.034568 0.003551 0.030442 -0.046537 0.015451 29O 2dxy 0.013517 0.008304 0.001916 -0.036008 0.047464 -0.001481 29O 1f0 -0.017241 -0.005644 0.003697 -0.008372 0.009961 0.000584 29O 1f+1 -0.001674 -0.000331 0.001283 -0.011893 0.012240 0.003643 29O 1f-1 -0.025048 -0.002642 0.007293 -0.006674 0.020841 0.002244 29O 1f+2 0.008445 0.003246 -0.000024 0.009975 -0.004892 -0.002197 29O 1f-2 0.010663 0.005697 -0.003317 0.016589 -0.024521 0.006655 29O 1f+3 0.002617 -0.006350 0.001262 -0.011451 0.007887 -0.003072 29O 1f-3 -0.004931 -0.000908 0.006162 -0.015430 -0.003073 -0.000453 30O 1s -0.004232 -0.004465 0.002503 0.001540 0.001940 -0.005161 30O 2s -0.016111 -0.015508 0.008527 0.004615 0.006923 -0.017967 30O 3s 0.163374 0.126629 -0.051893 -0.020700 -0.045882 0.148074 30O 4s -0.529832 -0.285066 0.118609 -0.039159 0.091908 -0.377367 30O 5s 0.392740 0.447655 -0.345318 -0.257797 -0.158410 0.509833 30O 1pz 0.060358 -0.024135 -0.038979 -0.054639 0.031679 -0.032726 30O 1px 0.048072 0.006888 -0.091597 -0.000503 -0.021165 0.034188 30O 1py -0.038403 -0.034338 0.096815 -0.049864 -0.025857 -0.054064 30O 2pz -0.121034 0.133452 0.132645 0.185086 -0.050951 0.102108 30O 2px -0.254695 -0.014848 0.232447 -0.048623 0.034927 -0.106119 30O 2py 0.054263 0.146449 -0.378608 0.116312 -0.008067 0.167846 30O 3pz 0.166580 -0.124467 -0.190011 0.116531 -0.160373 0.218330 30O 3px 0.184224 0.076926 -0.119419 -0.072113 -0.017542 0.137690 30O 3py -0.359599 -0.141001 0.256641 -0.048031 0.284956 -0.141007 30O 1dz2 -0.013598 -0.001335 0.003791 0.008321 -0.002654 0.011592 30O 1dxz -0.004015 -0.009142 0.002244 0.002300 0.000455 -0.000299 30O 1dyz 0.003053 0.004540 -0.000869 -0.003817 -0.004604 -0.005141 30O 1dx2y2 0.012861 -0.003223 -0.007001 0.004187 -0.001465 0.009633 30O 1dxy -0.000529 -0.006400 0.004800 -0.000597 0.002396 -0.000257 30O 2dz2 0.031462 -0.153848 0.020307 -0.043292 0.064328 -0.013150 30O 2dxz 0.024318 0.069071 -0.104384 0.101011 -0.025682 0.106341 30O 2dyz -0.106098 0.040641 0.157595 -0.001849 -0.007742 -0.070640 30O 2dx2y2 -0.144024 -0.079213 0.199323 -0.002493 -0.005878 -0.032367 30O 2dxy -0.105777 0.060448 -0.014463 0.035949 0.031556 0.024506 30O 1f0 -0.005300 0.010513 -0.021254 0.002480 0.010775 0.007627 30O 1f+1 -0.002543 0.006346 -0.019289 0.015559 -0.040748 0.019486 30O 1f-1 -0.014622 -0.002246 0.043080 0.002422 -0.003327 -0.012308 30O 1f+2 -0.024293 -0.007161 0.045926 -0.010366 -0.013859 -0.019294 30O 1f-2 -0.000531 -0.003372 0.001971 0.007047 0.005722 -0.006831 30O 1f+3 -0.000336 -0.011554 0.008101 0.006546 -0.037397 0.004396 30O 1f-3 -0.023957 0.007742 0.015464 -0.000264 0.025947 -0.003763 31O 1s 0.004191 -0.004134 -0.002382 -0.001493 -0.002032 0.005189 31O 2s 0.015924 -0.014247 -0.008107 -0.004463 -0.007219 0.018034 31O 3s -0.160323 0.113676 0.048747 0.019991 0.047572 -0.147907 31O 4s 0.517771 -0.242598 -0.109219 0.037396 -0.094555 0.374456 31O 5s -0.409853 0.426172 0.328070 0.249505 0.163141 -0.500768 31O 1pz 0.059843 0.028848 -0.038679 -0.054255 0.031584 -0.032540 31O 1px 0.050338 -0.001987 -0.089804 -0.000386 -0.021763 0.035891 31O 1py -0.043505 0.031227 0.095348 -0.050060 -0.025377 -0.056532 31O 2pz -0.116635 -0.142252 0.131102 0.183387 -0.049091 0.101616 31O 2px -0.255066 -0.008914 0.226645 -0.047136 0.035500 -0.109029 31O 2py 0.075785 -0.142777 -0.371290 0.118279 -0.011691 0.175520 31O 3pz 0.144948 0.138973 -0.191755 0.115223 -0.167488 0.227105 31O 3px 0.189603 -0.065423 -0.115749 -0.070059 -0.016245 0.136727 31O 3py -0.375328 0.111741 0.251421 -0.048391 0.290918 -0.146319 31O 1dz2 0.014024 -0.000176 -0.003878 -0.008236 0.002755 -0.011714 31O 1dxz 0.005145 -0.008769 -0.002134 -0.002210 -0.000164 0.000089 31O 1dyz -0.003419 0.004223 0.000661 0.003736 0.004733 0.005192 31O 1dx2y2 -0.012429 -0.004305 0.006880 -0.004174 0.001451 -0.009856 31O 1dxy 0.001218 -0.006475 -0.004520 0.000610 -0.002462 0.000148 31O 2dz2 -0.017481 -0.156880 -0.019772 0.044024 -0.064740 0.014683 31O 2dxz -0.025302 0.066538 0.102711 -0.100544 0.026812 -0.109195 31O 2dyz 0.103900 0.049288 -0.154747 0.001700 0.006682 0.072295 31O 2dx2y2 0.154854 -0.066798 -0.195462 0.002781 0.005510 0.033954 31O 2dxy 0.098599 0.069401 0.015202 -0.036618 -0.031480 -0.026928 31O 1f0 -0.004987 -0.010790 -0.021076 0.002557 0.010631 0.008026 31O 1f+1 -0.002528 -0.006595 -0.018443 0.015561 -0.041237 0.020038 31O 1f-1 -0.013934 0.000832 0.042084 0.002374 -0.002895 -0.012917 31O 1f+2 -0.024346 0.005023 0.045229 -0.010394 -0.013671 -0.020168 31O 1f-2 -0.001021 0.003243 0.001943 0.006893 0.005689 -0.006923 31O 1f+3 -0.001635 0.011539 0.008073 0.006587 -0.037817 0.004607 31O 1f-3 -0.024459 -0.009785 0.014847 -0.000356 0.026267 -0.003719 32O 1s 0.008713 -0.000174 -0.000267 -0.000903 -0.000478 -0.002508 32O 2s 0.033014 -0.001545 -0.001226 -0.003285 -0.002891 -0.008526 32O 3s -0.322189 0.033792 0.012661 0.030035 0.047697 0.062686 32O 4s 0.711383 -0.094094 -0.007287 -0.060185 -0.110171 -0.120495 32O 5s -0.495452 -0.084961 -0.080758 0.050143 -0.109009 0.264193 32O 1pz -0.061991 0.010334 0.020298 -0.043703 0.068596 -0.005555 32O 1px -0.003392 -0.003464 -0.002873 -0.017651 0.009577 0.005820 32O 1py -0.031032 0.015900 -0.000488 0.013449 0.028340 -0.005835 32O 2pz 0.267600 -0.048977 -0.075340 0.225981 -0.315757 -0.007515 32O 2px 0.003699 0.024310 -0.003268 0.090044 -0.054583 -0.039204 32O 2py 0.142405 -0.065887 -0.004600 -0.039025 -0.080701 0.026884 32O 3pz 0.004739 0.014446 0.016652 -0.065235 0.049485 -0.006682 32O 3px -0.116516 0.026347 -0.062630 -0.011640 0.020743 0.029006 32O 3py -0.083486 -0.041999 0.008985 0.015627 -0.040407 0.088875 32O 1dz2 -0.001685 0.005446 -0.000639 0.000368 -0.001710 -0.007206 32O 1dxz -0.000293 0.004727 -0.002394 -0.009139 0.000861 0.000823 32O 1dyz -0.004547 0.000326 -0.000400 -0.003145 0.009632 0.001746 32O 1dx2y2 -0.000128 0.008216 -0.000808 -0.005582 0.006383 -0.003395 32O 1dxy -0.002177 -0.001532 0.002954 -0.005915 -0.005707 0.003723 32O 2dz2 0.112335 -0.010892 -0.021720 0.057572 -0.098176 -0.022183 32O 2dxz -0.019317 0.009545 0.014073 -0.095556 0.062705 0.014556 32O 2dyz 0.098698 -0.017065 -0.032761 0.092551 -0.109847 -0.005438 32O 2dx2y2 -0.030900 0.032265 -0.003851 -0.032052 0.048940 -0.011927 32O 2dxy -0.015516 0.012926 -0.000064 0.032428 -0.043088 -0.006329 32O 1f0 -0.016357 0.004175 0.003051 -0.007858 0.008703 0.001572 32O 1f+1 -0.001433 -0.000266 0.000804 -0.012178 0.012153 0.005023 32O 1f-1 -0.024883 0.000862 0.007051 -0.006471 0.020721 0.004187 32O 1f+2 0.009471 -0.002606 0.000282 0.009642 -0.005008 -0.003129 32O 1f-2 0.010981 -0.003880 -0.002617 0.016366 -0.023739 0.003562 32O 1f+3 0.002495 0.005974 0.000922 -0.010585 0.007106 -0.002133 32O 1f-3 -0.006344 -0.000216 0.005541 -0.015450 -0.003714 0.001068 33O 1s -0.004374 -0.000160 0.003726 0.000859 -0.000627 -0.004966 33O 2s -0.016236 -0.000451 0.012977 0.003680 -0.001724 -0.017255 33O 3s 0.139918 0.002522 -0.114301 -0.027955 -0.003898 0.133944 33O 4s -0.399706 0.016871 0.249550 0.060405 0.092653 -0.320996 33O 5s 0.668719 -0.034895 -0.360162 -0.113324 0.160279 0.340428 33O 1pz -0.130294 0.037170 -0.031868 -0.060877 -0.002568 -0.021405 33O 1px -0.058986 0.031806 -0.033817 0.004376 -0.006713 -0.073760 33O 1py -0.130970 -0.028460 0.009987 0.026210 -0.014355 0.049556 33O 2pz 0.403022 -0.157283 0.153820 0.105408 0.074552 0.127119 33O 2px 0.218710 -0.132085 0.083447 0.015364 -0.042758 0.207096 33O 2py 0.382512 0.157896 -0.035653 -0.109526 0.040983 -0.130358 33O 3pz -0.564043 0.054115 -0.007917 0.247395 0.156191 -0.219319 33O 3px -0.121957 0.077234 0.149072 -0.006226 -0.040626 -0.038671 33O 3py -0.344734 -0.139730 -0.055211 0.057033 0.003059 -0.236395 33O 1dz2 -0.005216 0.000318 -0.002981 -0.005963 -0.001322 -0.014403 33O 1dxz -0.000566 -0.006900 0.002141 -0.004066 0.001164 -0.001120 33O 1dyz -0.002205 -0.000144 0.003590 0.004265 0.004478 0.004092 33O 1dx2y2 0.017102 -0.009151 -0.002840 -0.003096 -0.003657 -0.004226 33O 1dxy 0.010865 0.009361 -0.001674 -0.002172 -0.002978 -0.003576 33O 2dz2 0.237519 -0.170930 0.073531 0.012498 -0.007070 0.055279 33O 2dxz 0.030100 0.017961 -0.037685 -0.076659 -0.041439 -0.014036 33O 2dyz 0.213307 0.105916 -0.001439 -0.034509 0.007551 0.015362 33O 2dx2y2 -0.142931 0.021092 -0.076589 -0.059551 -0.012530 -0.084254 33O 2dxy -0.056480 -0.130403 0.066844 0.021205 -0.009579 0.121046 33O 1f0 -0.012728 -0.007986 0.014420 0.016969 0.011025 -0.003161 33O 1f+1 0.016414 -0.012656 0.010314 0.032141 0.007628 -0.016036 33O 1f-1 -0.030460 0.000038 -0.008150 0.006914 0.003096 -0.013170 33O 1f+2 0.038964 -0.008110 0.011446 -0.004397 0.009859 0.010096 33O 1f-2 0.029967 0.004306 0.009214 -0.007251 0.003336 -0.002384 33O 1f+3 0.029151 -0.010751 0.020243 0.027673 0.008074 0.000748 33O 1f-3 -0.012709 0.017377 -0.025400 0.027694 -0.002129 -0.047381 34O 1s -0.011237 -0.001406 0.003325 -0.000966 0.002562 -0.002083 34O 2s -0.037688 -0.003825 0.010641 -0.002445 0.007935 -0.008054 34O 3s 0.262564 -0.004390 -0.041941 -0.004943 -0.048443 0.087124 34O 4s -0.469796 0.163234 0.025646 0.096915 0.065418 -0.316170 34O 5s 1.182794 0.346140 -0.285392 -0.017046 -0.130967 0.027904 34O 1pz -0.061296 0.005901 0.011799 0.007566 0.070170 0.043966 34O 1px 0.020795 0.012771 -0.059175 0.015985 -0.012280 0.048575 34O 1py 0.032825 0.011208 -0.076914 0.046930 -0.049360 0.073653 34O 2pz 0.192799 -0.055818 -0.012766 -0.030377 -0.192000 -0.135376 34O 2px 0.100267 0.117395 -0.007508 0.034774 0.001831 -0.226847 34O 2py -0.174985 -0.087938 0.354461 -0.157155 0.114165 -0.199123 34O 3pz -0.198295 0.091037 0.142043 -0.057982 -0.018948 -0.113287 34O 3px 0.249030 0.140049 0.047293 0.045247 -0.112668 -0.077982 34O 3py 0.338390 0.094226 -0.193103 -0.096487 0.048110 0.076198 34O 1dz2 -0.002039 -0.006398 -0.000674 0.008903 0.001690 0.004039 34O 1dxz -0.011300 -0.002730 -0.001992 0.009370 0.004805 0.006355 34O 1dyz -0.002356 0.001811 0.005647 -0.004747 -0.000070 -0.005219 34O 1dx2y2 -0.003048 -0.007369 0.003073 0.002330 0.002194 0.012085 34O 1dxy 0.012589 0.001172 -0.014110 0.002706 0.002738 0.003857 34O 2dz2 -0.077068 -0.081057 0.029951 0.039403 0.014289 0.068064 34O 2dxz 0.094306 -0.062229 0.060596 -0.014118 -0.120627 -0.070488 34O 2dyz -0.074249 0.044946 0.048020 -0.010757 0.046193 -0.041306 34O 2dx2y2 -0.033952 -0.024787 0.103097 0.021448 0.037727 -0.082151 34O 2dxy -0.105063 -0.063305 0.221447 -0.058795 0.069522 -0.112666 34O 1f0 0.007618 0.004778 0.020027 -0.004758 -0.037641 -0.007391 34O 1f+1 -0.007621 0.007043 0.028791 -0.008586 0.010938 -0.017026 34O 1f-1 -0.001195 -0.006111 -0.003993 0.005599 -0.000669 -0.003658 34O 1f+2 -0.007142 -0.006090 -0.007132 0.000114 0.021882 0.014475 34O 1f-2 0.018746 -0.009079 -0.040691 0.002385 -0.007048 0.016723 34O 1f+3 -0.026821 -0.013502 0.033169 -0.007427 0.023397 -0.018251 34O 1f-3 0.004121 0.011185 0.015043 -0.010516 0.026102 -0.010666 35O 1s 0.009167 0.002624 -0.001110 -0.002990 -0.001852 0.004011 35O 2s 0.030036 0.009389 -0.004799 -0.009195 -0.005950 0.014406 35O 3s -0.178257 -0.077418 0.074436 0.044966 0.041220 -0.131592 35O 4s 0.276321 0.115678 -0.264269 0.019278 -0.062822 0.384537 35O 5s -0.915728 -0.309764 0.061307 0.204215 0.248857 -0.251502 35O 1pz 0.078947 -0.007243 0.060875 -0.016689 0.020848 0.090547 35O 1px -0.059694 0.016291 -0.007753 0.051123 0.016297 -0.028417 35O 1py 0.019809 -0.009120 -0.034691 -0.068324 -0.041052 -0.027875 35O 2pz -0.339999 0.014995 -0.235075 0.033998 -0.067486 -0.248674 35O 2px -0.065540 -0.062221 -0.128362 -0.046839 -0.032744 0.131340 35O 2py -0.169300 0.047855 0.064452 0.248391 0.132731 0.113103 35O 3pz 0.368519 0.121922 -0.063963 0.029887 -0.056603 0.047434 35O 3px -0.127944 0.009487 0.004034 0.111806 0.065775 -0.101274 35O 3py 0.147210 -0.103185 0.017737 0.172588 -0.021459 0.133125 35O 1dz2 -0.006649 -0.005378 -0.001544 0.009333 -0.000540 0.008549 35O 1dxz 0.019191 -0.003259 0.003654 0.007513 -0.000003 0.008567 35O 1dyz 0.004250 0.002802 -0.001472 0.000111 -0.001647 -0.006090 35O 1dx2y2 -0.005172 -0.007181 0.011809 0.008534 0.003682 0.005658 35O 1dxy 0.005477 0.000573 -0.003403 -0.004225 -0.002487 -0.004974 35O 2dz2 -0.073242 -0.061985 0.005777 0.043337 -0.001865 -0.026286 35O 2dxz -0.187175 -0.019679 -0.124384 0.028796 -0.034180 -0.098165 35O 2dyz -0.167583 0.045343 -0.066311 0.016133 -0.006773 -0.133654 35O 2dx2y2 -0.022639 -0.071368 -0.078938 -0.083795 -0.060528 0.044768 35O 2dxy -0.073582 0.030778 0.068278 0.124521 0.071202 0.065008 35O 1f0 -0.013070 0.017525 -0.022815 0.007871 0.000813 -0.025284 35O 1f+1 0.040227 0.014679 0.003607 -0.014189 -0.003079 0.009993 35O 1f-1 0.006239 0.006429 -0.002952 -0.007232 -0.002772 0.014297 35O 1f+2 -0.023829 0.014939 -0.008948 -0.013818 -0.001123 0.003404 35O 1f-2 0.034932 -0.008883 0.014731 -0.012507 0.008682 0.030885 35O 1f+3 0.003080 0.004725 -0.012466 -0.041852 -0.014500 0.012399 35O 1f-3 0.025785 -0.013972 0.022076 0.001829 0.005403 0.021063 564 565 566 567 568 569 3.83401 3.84474 3.86228 3.86658 3.87406 3.89984 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s 0.002503 0.001004 0.011604 -0.001185 0.004985 0.002173 0Rh 2s -0.022947 -0.009610 -0.106327 0.010660 -0.039180 -0.019392 0Rh 3s 0.001105 0.000200 0.005190 -0.000651 0.006145 0.001292 0Rh 4s 0.126542 0.053004 0.587242 -0.058945 0.217121 0.107345 0Rh 5s -0.286904 -0.121987 -1.334733 0.133762 -0.471247 -0.242982 0Rh 6s 0.273997 0.124675 1.277527 -0.126735 0.351434 0.225617 0Rh 7s -0.426598 -0.300200 -1.934607 0.153983 0.504715 -0.253474 0Rh 8s 0.027281 0.064278 0.195817 0.021321 -0.214385 -0.225655 0Rh 1pz -0.002076 -0.001607 -0.000453 -0.005049 -0.000123 0.001893 0Rh 1px -0.000394 -0.001459 -0.001909 -0.001979 0.007490 -0.001219 0Rh 1py -0.003193 0.000790 -0.000288 0.000398 0.000750 0.009461 0Rh 2pz 0.008601 0.007017 0.001822 0.018957 0.000215 -0.007217 0Rh 2px 0.001562 0.005770 0.006848 0.007596 -0.028248 0.004503 0Rh 2py 0.012539 -0.003141 0.001634 -0.001526 -0.002190 -0.036181 0Rh 3pz -0.030486 -0.031913 -0.005776 -0.028360 0.005212 0.012787 0Rh 3px -0.003836 -0.014605 -0.001581 -0.015004 0.043045 -0.004909 0Rh 3py -0.030556 0.008507 -0.014725 0.002916 -0.011167 0.066929 0Rh 4pz 0.061827 0.081704 0.012800 -0.037756 -0.025694 0.007682 0Rh 4px 0.001299 0.012488 -0.064089 0.001006 0.064915 -0.017559 0Rh 4py 0.025726 -0.010771 0.053380 0.000402 0.074506 0.023882 0Rh 5pz -0.121562 -0.166215 -0.041715 0.116405 0.057206 -0.035851 0Rh 5px 0.012494 -0.003022 0.213782 0.014705 -0.241859 0.040059 0Rh 5py -0.024814 0.018945 -0.123911 -0.005327 -0.190977 -0.150062 0Rh 6pz 0.464415 0.514907 0.413804 0.010479 -0.235108 -0.105195 0Rh 6px -0.164446 -0.061876 -1.115776 0.018775 0.579903 0.208374 0Rh 6py 0.229975 -0.103675 0.570042 0.000835 0.590197 -0.192845 0Rh 1dz2 -0.033882 -0.069291 -0.002909 0.060051 -0.018016 -0.007184 0Rh 1dxz 0.066207 0.081965 -0.011845 -0.087481 0.008920 0.016874 0Rh 1dyz 0.010182 -0.014269 -0.025293 0.003784 -0.030625 -0.051728 0Rh 1dx2y2 0.018258 0.032584 -0.021522 -0.032460 -0.009846 -0.016330 0Rh 1dxy 0.046733 -0.026062 0.082982 0.002992 0.103262 0.119333 0Rh 2dz2 -0.005015 -0.011518 -0.000614 0.008367 -0.003092 -0.001267 0Rh 2dxz 0.010803 0.013226 -0.001458 -0.011942 -0.000023 0.001747 0Rh 2dyz 0.002998 -0.002393 -0.004507 0.000478 -0.005404 -0.007947 0Rh 2dx2y2 0.003330 0.005324 -0.003689 -0.005021 -0.000772 -0.001627 0Rh 2dxy 0.008397 -0.004188 0.012899 0.000168 0.016439 0.015950 0Rh 3dz2 0.146715 0.307023 0.013167 -0.259289 0.080502 0.032389 0Rh 3dxz -0.292345 -0.361778 0.049750 0.377104 -0.033032 -0.070618 0Rh 3dyz -0.051509 0.063462 0.113882 -0.015944 0.137910 0.228234 0Rh 3dx2y2 -0.081932 -0.143762 0.096998 0.142450 0.040216 0.067871 0Rh 3dxy -0.209973 0.115012 -0.364600 -0.011701 -0.456775 -0.515759 0Rh 4dz2 -0.193129 -0.422584 -0.015388 0.343199 -0.110980 -0.046136 0Rh 4dxz 0.401256 0.496803 -0.059146 -0.499640 0.036336 0.089525 0Rh 4dyz 0.086261 -0.088788 -0.160709 0.017557 -0.194928 -0.314222 0Rh 4dx2y2 0.112613 0.195823 -0.144061 -0.193770 -0.053395 -0.084509 0Rh 4dxy 0.295268 -0.158646 0.495570 0.012098 0.631243 0.692163 0Rh 5dz2 0.130418 0.348784 -0.033484 -0.220694 0.076713 0.047846 0Rh 5dxz -0.349933 -0.422425 -0.030646 0.341443 -0.022989 -0.035411 0Rh 5dyz -0.118845 0.073961 0.136975 0.046162 0.170531 0.253839 0Rh 5dx2y2 -0.072477 -0.150131 0.227068 0.162285 0.070644 0.030747 0Rh 5dxy -0.264047 0.139464 -0.369859 0.025094 -0.525858 -0.508144 0Rh 1f0 -0.005898 -0.017593 -0.005881 -0.008420 -0.005528 -0.005998 0Rh 1f+1 -0.023347 -0.024579 0.010737 -0.003157 0.008483 -0.003056 0Rh 1f-1 0.005912 -0.006441 0.004956 0.010300 -0.001458 -0.010655 0Rh 1f+2 0.020239 0.016148 0.014631 -0.005788 0.021863 -0.009923 0Rh 1f-2 -0.000901 0.013470 -0.007228 0.002793 -0.007997 -0.018414 0Rh 1f+3 0.002569 -0.012038 0.028269 0.008521 0.029910 -0.005250 0Rh 1f-3 -0.008322 -0.003182 -0.017838 0.000384 -0.018043 0.012601 1Rh 1s 0.002433 0.001004 0.011601 0.001220 0.004922 0.000274 1Rh 2s -0.022360 -0.009628 -0.106311 -0.010571 -0.038601 -0.002134 1Rh 3s 0.001043 0.000193 0.005184 0.000914 0.006114 0.000352 1Rh 4s 0.123300 0.053106 0.587158 0.058491 0.213919 0.011883 1Rh 5s -0.279737 -0.122269 -1.334564 -0.131283 -0.463965 -0.026020 1Rh 6s 0.267974 0.125166 1.277411 0.118012 0.344471 0.020334 1Rh 7s -0.421210 -0.300490 -1.934455 -0.076210 0.513472 0.004284 1Rh 8s 0.038661 0.067190 0.196116 -0.037846 -0.212477 0.257277 1Rh 1pz 0.002152 0.001590 0.000373 -0.005096 0.000538 0.001994 1Rh 1px 0.000378 0.001461 0.001883 -0.002507 -0.007296 -0.001927 1Rh 1py 0.003295 -0.000839 0.000359 0.000376 -0.000811 0.009327 1Rh 2pz -0.008890 -0.006954 -0.001522 0.019160 -0.001783 -0.007582 1Rh 2px -0.001497 -0.005776 -0.006752 0.009579 0.027500 0.007194 1Rh 2py -0.012936 0.003322 -0.001904 -0.001471 0.002429 -0.035614 1Rh 3pz 0.031040 0.031861 0.005327 -0.029225 -0.002665 0.013063 1Rh 3px 0.003624 0.014555 0.001508 -0.017872 -0.041520 -0.009565 1Rh 3py 0.031404 -0.008764 0.015202 0.003546 0.010641 0.064697 1Rh 4pz -0.061759 -0.081982 -0.013319 -0.035620 0.028046 0.009324 1Rh 4px -0.000916 -0.012186 0.063630 -0.004450 -0.065078 -0.020292 1Rh 4py -0.025870 0.010412 -0.053092 -0.003081 -0.074287 0.029434 1Rh 5pz 0.120721 0.166869 0.043098 0.111904 -0.065677 -0.037349 1Rh 5px -0.013520 0.002188 -0.212811 0.034874 0.239893 0.049252 1Rh 5py 0.023714 -0.018049 0.122456 0.003001 0.191349 -0.163424 1Rh 6pz -0.467906 -0.519012 -0.413380 0.038019 0.235485 -0.164847 1Rh 6px 0.184399 0.069498 1.115985 -0.045110 -0.572833 0.265541 1Rh 6py -0.232556 0.104434 -0.568537 -0.010934 -0.593934 -0.164997 1Rh 1dz2 -0.034768 -0.072446 -0.003477 -0.061331 -0.014342 0.005197 1Rh 1dxz 0.064549 0.080895 -0.010008 0.087572 0.002650 -0.019371 1Rh 1dyz 0.011268 -0.014086 -0.025458 -0.003917 -0.030258 0.055746 1Rh 1dx2y2 0.017455 0.030227 -0.020473 0.032089 -0.012697 0.025367 1Rh 1dxy 0.044747 -0.025483 0.082065 0.001219 0.102859 -0.128784 1Rh 2dz2 -0.005160 -0.012058 -0.000678 -0.008573 -0.002588 0.000952 1Rh 2dxz 0.010576 0.013068 -0.001192 0.011857 -0.000883 -0.002197 1Rh 2dyz 0.003154 -0.002474 -0.004512 -0.000540 -0.005321 0.008535 1Rh 2dx2y2 0.003182 0.004948 -0.003534 0.005030 -0.001194 0.003089 1Rh 2dxy 0.008131 -0.004152 0.012781 0.000519 0.016370 -0.017314 1Rh 3dz2 0.150639 0.321098 0.015546 0.264953 0.064663 -0.023665 1Rh 3dxz -0.285233 -0.357122 0.041770 -0.377054 -0.005949 0.081856 1Rh 3dyz -0.056201 0.063188 0.114505 0.016720 0.136187 -0.245874 1Rh 3dx2y2 -0.078315 -0.133391 0.092427 -0.141122 0.052652 -0.107926 1Rh 3dxy -0.201483 0.112737 -0.360688 -0.006989 -0.454968 0.557182 1Rh 4dz2 -0.198542 -0.442184 -0.018348 -0.350956 -0.090011 0.034770 1Rh 4dxz 0.391964 0.490576 -0.048464 0.498807 0.000296 -0.104667 1Rh 4dyz 0.092389 -0.089747 -0.161245 -0.018944 -0.192525 0.338704 1Rh 4dx2y2 0.107579 0.181728 -0.137909 0.192440 -0.070184 0.139061 1Rh 4dxy 0.284185 -0.156192 0.490531 0.013849 0.628638 -0.749760 1Rh 5dz2 0.135046 0.366768 -0.032944 0.226530 0.063071 -0.047238 1Rh 5dxz -0.344348 -0.418221 -0.038421 -0.338679 0.001937 0.037180 1Rh 5dyz -0.121717 0.083166 0.134058 -0.044381 0.171148 -0.276549 1Rh 5dx2y2 -0.067789 -0.138703 0.222307 -0.162425 0.083867 -0.060041 1Rh 5dxy -0.256132 0.141048 -0.367623 -0.047454 -0.521729 0.562536 1Rh 1f0 0.006079 0.017291 0.005831 -0.008113 0.006092 -0.002433 1Rh 1f+1 0.023501 0.024960 -0.010936 -0.003460 -0.008170 -0.005483 1Rh 1f-1 -0.005956 0.006598 -0.004782 0.010574 0.000799 -0.012061 1Rh 1f+2 -0.020521 -0.016221 -0.014901 -0.006771 -0.021456 -0.013015 1Rh 1f-2 0.000737 -0.013129 0.007157 0.003206 0.007504 -0.021272 1Rh 1f+3 -0.003091 0.011605 -0.028135 0.007409 -0.030441 -0.008487 1Rh 1f-3 0.008291 0.002759 0.017799 0.000913 0.017923 0.007324 2C 1s -0.008886 0.002913 -0.005975 -0.003941 0.003133 -0.000454 2C 2s -0.024228 0.010023 -0.015485 -0.008964 0.008310 -0.003807 2C 3s 0.113327 -0.149712 0.038670 -0.146680 0.076265 0.277128 2C 4s 0.676987 0.260541 0.553528 1.616433 -1.255134 -1.772001 2C 5s -0.134237 -0.484083 -1.086998 -0.949173 0.589566 0.403830 2C 1pz 0.156218 -0.089929 0.101333 0.033257 -0.046820 0.054465 2C 1px 0.062672 0.001409 0.034413 0.012072 0.013641 0.013898 2C 1py 0.105947 -0.043684 0.070405 0.029598 -0.024887 0.044216 2C 2pz 0.027342 0.274800 0.327328 0.840099 -0.395169 -0.967990 2C 2px 0.445218 -0.341299 0.036849 0.706057 -1.294661 -0.880001 2C 2py -0.152652 0.272071 -0.118360 0.247673 -0.440470 -0.576680 2C 3pz -0.045280 -0.059563 -0.306445 -0.132134 0.079569 0.016192 2C 3px -0.158931 0.002823 -0.144288 -0.181111 0.195868 0.140859 2C 3py -0.019049 -0.085957 -0.136281 -0.070094 0.089093 -0.074622 2C 1dz2 0.066623 -0.037751 0.043107 0.013456 -0.063187 -0.003492 2C 1dxz -0.091990 0.120551 0.018763 -0.123750 0.221589 0.152754 2C 1dyz 0.230213 -0.106970 0.130886 0.145263 -0.198397 -0.067535 2C 1dx2y2 0.016483 -0.005205 -0.081723 0.021616 -0.155075 -0.092635 2C 1dxy 0.072494 -0.008662 0.095995 0.056504 0.054085 -0.014100 2C 2dz2 -0.203972 0.208302 -0.005630 0.134900 0.110603 -0.155902 2C 2dxz -0.153168 -0.086488 -0.180071 0.047238 -0.203574 -0.128411 2C 2dyz -0.360507 0.259442 -0.166758 0.088140 -0.116737 -0.406313 2C 2dx2y2 0.217324 -0.114596 0.111364 0.128758 -0.197357 -0.013846 2C 2dxy -0.044782 -0.094286 -0.052191 0.122863 -0.253620 -0.187613 2C 1f0 0.010792 0.088136 0.043375 0.023289 0.109549 0.027246 2C 1f+1 -0.202790 0.016283 -0.144216 -0.073469 -0.085979 -0.053888 2C 1f-1 -0.234138 0.187904 -0.136598 -0.082441 0.183017 0.000563 2C 1f+2 0.068759 -0.052775 -0.006385 0.037436 -0.076527 0.016163 2C 1f-2 0.023242 -0.131259 0.014141 0.080592 -0.195995 -0.089107 2C 1f+3 -0.217850 -0.013852 -0.101599 -0.054124 0.000559 -0.035599 2C 1f-3 -0.101427 0.059690 -0.027133 -0.059066 0.082696 0.006368 3C 1s 0.005097 -0.006099 -0.007664 -0.002147 0.003905 -0.001831 3C 2s 0.014966 -0.017415 -0.020809 -0.004642 0.009982 -0.002800 3C 3s -0.109918 0.118865 0.077855 -0.122223 0.081595 -0.221176 3C 4s -0.278284 0.241669 0.740739 1.211044 -1.255936 1.863351 3C 5s -0.479007 -0.005678 -0.779413 -0.376353 0.771435 -1.137703 3C 1pz -0.053900 0.058201 0.086737 -0.000401 -0.024280 0.023519 3C 1px -0.034878 0.064050 0.025991 -0.005740 -0.039369 0.000167 3C 1py 0.105973 -0.121877 -0.140927 -0.015820 0.043619 0.018933 3C 2pz 0.359790 -0.268069 -0.426138 0.011399 0.110231 -0.461552 3C 2px -0.618492 -0.347723 0.646618 0.691044 -0.349160 0.681356 3C 2py -0.115998 -0.099155 -0.412329 -0.677676 0.738325 -1.605784 3C 3pz -0.099524 0.043051 -0.028703 0.074210 -0.011240 0.083533 3C 3px 0.063594 -0.004938 -0.101937 -0.055601 0.154170 -0.165037 3C 3py 0.104040 0.085556 0.288976 0.076393 -0.167876 0.277514 3C 1dz2 -0.008701 -0.047400 -0.025528 -0.012269 0.031526 -0.063515 3C 1dxz 0.157050 0.145333 -0.050458 -0.093916 0.005619 0.009051 3C 1dyz 0.229955 -0.117984 -0.312334 -0.162981 0.149051 -0.248377 3C 1dx2y2 0.026196 0.033677 -0.036657 0.020337 -0.050311 0.131758 3C 1dxy -0.034227 -0.050171 0.012220 0.049307 -0.007195 0.072415 3C 2dz2 0.043590 0.013953 -0.163831 -0.108139 0.125291 -0.446200 3C 2dxz 0.042652 -0.189413 -0.061232 0.060353 0.093876 -0.049939 3C 2dyz -0.302933 0.206166 0.225461 -0.093504 0.059226 -0.247210 3C 2dx2y2 -0.290429 0.109127 0.290028 0.043259 -0.004070 -0.128776 3C 2dxy 0.069200 0.333838 -0.067912 -0.204430 -0.043132 -0.146792 3C 1f0 -0.148873 0.123574 0.146726 0.030899 -0.097436 0.024699 3C 1f+1 0.059082 0.046047 -0.021143 -0.025367 0.024154 -0.056779 3C 1f-1 -0.107968 0.055634 0.203185 0.058404 -0.069411 0.233260 3C 1f+2 -0.063294 -0.062284 0.131519 0.043905 0.075763 0.017959 3C 1f-2 -0.026290 0.114038 -0.047663 -0.047128 -0.108917 0.050565 3C 1f+3 0.063320 -0.253231 -0.066167 0.002685 0.111542 0.055095 3C 1f-3 -0.205876 0.057481 0.230627 0.114159 -0.023270 -0.034234 4C 1s -0.019439 0.006493 -0.006744 -0.015127 0.013622 0.009609 4C 2s -0.054806 0.017664 -0.022581 -0.039494 0.035160 0.022836 4C 3s 0.268388 -0.010062 0.245867 0.150982 -0.011484 0.039878 4C 4s 0.830236 -0.645048 -0.055613 0.629213 -1.229488 -0.732732 4C 5s 0.523541 -0.324415 0.535050 0.556978 -0.426782 -0.477230 4C 1pz -0.265969 0.099273 -0.164937 -0.174325 0.209325 0.098830 4C 1px -0.012500 -0.026296 -0.020442 -0.033817 -0.028248 -0.008874 4C 1py -0.188616 0.063376 -0.126177 -0.143079 0.129760 0.072314 4C 2pz 0.472731 -0.060835 0.312174 1.324760 -1.446382 -1.616364 4C 2px 0.414740 0.518891 0.219623 0.455600 0.090935 -0.434244 4C 2py 0.593636 0.076290 0.380492 1.152842 -0.924694 -1.175048 4C 3pz 0.505236 -0.715775 -0.704704 -0.305967 0.157741 0.000920 4C 3px 0.110702 -0.128158 -0.054867 0.093579 -0.017267 0.039663 4C 3py 0.325084 -0.476138 -0.479166 -0.171968 0.089510 0.083587 4C 1dz2 0.116683 -0.012236 0.065636 0.043594 -0.034746 -0.017971 4C 1dxz 0.021250 -0.073892 0.054267 -0.020204 -0.048407 0.004527 4C 1dyz 0.205196 -0.055950 0.110590 0.203924 -0.191984 -0.123666 4C 1dx2y2 -0.015249 0.031690 -0.071445 0.043820 -0.055552 -0.097172 4C 1dxy 0.043296 -0.044998 -0.010747 0.082514 -0.137815 -0.098711 4C 2dz2 -0.326476 0.006388 -0.068626 -0.457026 0.648162 0.610687 4C 2dxz -0.091327 0.047606 -0.256482 -0.208447 0.014196 0.240766 4C 2dyz -0.277088 -0.002063 -0.354071 -0.629058 0.463461 0.553437 4C 2dx2y2 0.344849 -0.082999 0.092165 0.578507 -0.654741 -0.618700 4C 2dxy 0.162747 -0.200977 0.037918 0.174514 -0.221517 -0.256661 4C 1f0 -0.030131 -0.029258 0.068833 -0.053734 0.091152 0.046518 4C 1f+1 -0.185481 0.103645 -0.097106 -0.288624 0.296441 0.340550 4C 1f-1 0.183215 -0.070766 0.076258 0.106568 -0.212660 -0.060384 4C 1f+2 -0.031119 -0.044948 -0.101802 0.020202 -0.146470 -0.106022 4C 1f-2 0.015132 0.005002 0.084374 -0.002293 0.150579 0.030818 4C 1f+3 0.032661 -0.169702 0.111966 0.045456 0.018945 0.024367 4C 1f-3 -0.227820 -0.038803 -0.045201 -0.207458 0.170399 0.205553 5C 1s 0.014099 -0.011398 -0.011637 -0.010635 0.014089 -0.011847 5C 2s 0.038254 -0.032191 -0.036251 -0.027394 0.036307 -0.030594 5C 3s -0.120972 0.126108 0.290670 0.067393 -0.047418 0.085838 5C 4s -0.767304 0.770434 0.148774 0.539487 -1.159417 0.537285 5C 5s -0.177908 0.553780 0.479106 0.303023 -0.422198 0.799226 5C 1pz 0.122023 -0.120350 -0.181757 -0.107782 0.137585 -0.165946 5C 1px 0.005695 -0.089920 -0.046727 0.011439 0.061028 -0.064550 5C 1py -0.165014 0.163825 0.230635 0.129182 -0.173826 0.142693 5C 2pz -0.342259 0.175214 0.713220 0.810899 -0.734002 1.361207 5C 2px 0.045126 0.449866 -0.225101 0.219808 -0.943046 0.912771 5C 2py 0.365487 -0.138641 -0.672208 -1.173023 1.076510 -1.499557 5C 3pz -0.484427 0.267028 -0.221723 -0.012633 0.179816 -0.373342 5C 3px -0.321460 0.129829 -0.230800 -0.108873 0.065396 -0.068421 5C 3py 0.822127 -0.460119 0.334742 -0.012392 -0.264033 0.498016 5C 1dz2 0.065316 -0.008507 -0.032285 -0.097899 0.091362 -0.098270 5C 1dxz -0.033363 0.019684 0.085349 -0.003117 0.023470 -0.013484 5C 1dyz 0.110080 -0.134524 -0.095065 -0.107560 0.205528 -0.166417 5C 1dx2y2 0.026219 -0.099713 -0.090257 0.013093 0.031913 -0.003684 5C 1dxy 0.086869 -0.038128 -0.154487 -0.075405 0.052944 -0.085188 5C 2dz2 0.115649 -0.138928 -0.175503 -0.142313 0.194742 -0.446140 5C 2dxz 0.171910 -0.083769 -0.133549 -0.248796 0.390819 -0.483907 5C 2dyz -0.166296 0.028613 0.386423 0.350555 -0.418062 0.714757 5C 2dx2y2 -0.415272 0.172860 0.453407 0.631937 -0.636520 0.714106 5C 2dxy 0.212404 0.292148 0.178664 0.154526 -0.172801 0.329285 5C 1f0 0.108077 -0.181239 -0.281939 -0.156166 0.095526 -0.186823 5C 1f+1 0.164014 -0.077743 0.002501 -0.099398 0.234483 -0.115859 5C 1f-1 0.112156 0.009015 -0.128002 -0.051777 0.094679 -0.248796 5C 1f+2 0.108807 -0.028793 -0.089574 -0.073185 0.117469 -0.093915 5C 1f-2 -0.137715 -0.120628 0.052936 0.131959 -0.029265 0.021324 5C 1f+3 -0.027147 -0.136091 -0.044326 -0.105029 0.146914 -0.280541 5C 1f-3 -0.087172 0.037681 0.013289 0.133228 -0.201296 0.243469 6C 1s 0.013673 -0.011520 -0.011267 0.011905 0.013400 0.012570 6C 2s 0.037064 -0.032506 -0.035281 0.030841 0.034567 0.031568 6C 3s -0.115455 0.127093 0.286869 -0.078643 -0.045056 -0.043728 6C 4s -0.745954 0.776871 0.136111 -0.622679 -1.120096 -0.738113 6C 5s -0.181280 0.559495 0.467351 -0.343769 -0.404969 -0.822289 6C 1pz -0.117375 0.121685 0.177953 -0.120883 -0.130749 -0.167227 6C 1px -0.004736 0.087781 0.046242 0.006678 -0.060638 -0.058561 6C 1py 0.159242 -0.165949 -0.226704 0.147559 0.166690 0.143035 6C 2pz 0.331530 -0.182730 -0.685849 0.868064 0.675075 1.434819 6C 2px -0.042297 -0.451051 0.231855 0.268911 0.921109 0.907999 6C 2py -0.358181 0.153523 0.639058 -1.256876 -0.996482 -1.612958 6C 3pz 0.476123 -0.266345 0.216738 -0.023207 -0.177440 -0.342921 6C 3px 0.318856 -0.126742 0.225846 -0.117915 -0.060957 -0.042786 6C 3py -0.808558 0.456619 -0.327314 0.005967 0.265324 0.444344 6C 1dz2 0.063265 -0.010547 -0.029150 0.103784 0.085026 0.111721 6C 1dxz -0.031292 0.021923 0.085466 0.001814 0.022675 0.016579 6C 1dyz 0.106524 -0.135202 -0.091151 0.123734 0.198085 0.176925 6C 1dx2y2 0.025035 -0.097970 -0.090486 -0.008881 0.033135 -0.019394 6C 1dxy 0.084083 -0.040273 -0.152631 0.083523 0.049214 0.092764 6C 2dz2 0.112827 -0.142224 -0.171921 0.158861 0.182422 0.478110 6C 2dxz 0.168342 -0.086024 -0.124023 0.272921 0.369975 0.495675 6C 2dyz -0.160394 0.038538 0.375147 -0.385229 -0.393874 -0.722594 6C 2dx2y2 -0.405402 0.185659 0.437486 -0.686146 -0.595061 -0.769211 6C 2dxy 0.207008 0.279357 0.173185 -0.165991 -0.159968 -0.329663 6C 1f0 -0.103752 0.180333 0.277314 -0.169932 -0.085946 -0.203419 6C 1f+1 -0.159762 0.079837 -0.006444 -0.113994 -0.226670 -0.123451 6C 1f-1 -0.108628 -0.006613 0.124625 -0.058407 -0.089804 -0.245987 6C 1f+2 -0.105671 0.032349 0.088483 -0.085073 -0.113102 -0.098209 6C 1f-2 0.135003 0.115877 -0.050020 0.136942 0.021486 0.053908 6C 1f+3 0.026091 0.134366 0.042624 -0.115410 -0.138707 -0.317065 6C 1f-3 0.085430 -0.039023 -0.008005 0.143997 0.189754 0.251392 7C 1s -0.019264 0.006864 -0.006358 0.016037 0.012593 -0.008395 7C 2s -0.054280 0.018655 -0.021557 0.041939 0.032484 -0.020544 7C 3s 0.265020 -0.013469 0.241368 -0.156614 -0.001317 -0.010134 7C 4s 0.824050 -0.662864 -0.070385 -0.695713 -1.186644 0.540526 7C 5s 0.527438 -0.329064 0.528209 -0.593044 -0.384421 0.480785 7C 1pz 0.263899 -0.104533 0.161401 -0.189928 -0.197708 0.099405 7C 1px 0.011784 0.028572 0.018426 -0.031004 0.030444 -0.009417 7C 1py 0.185954 -0.066145 0.122624 -0.152267 -0.118465 0.066735 7C 2pz -0.493648 0.084626 -0.297331 1.423632 1.353783 -1.533328 7C 2px -0.418728 -0.516590 -0.211145 0.456502 -0.119719 -0.384705 7C 2py -0.595665 -0.061582 -0.360009 1.218804 0.836023 -1.077375 7C 3pz -0.501793 0.715815 0.702955 -0.337511 -0.130041 0.066415 7C 3px -0.107931 0.126438 0.056190 0.094729 0.014383 0.034317 7C 3py -0.323303 0.477242 0.479881 -0.192142 -0.071185 0.118706 7C 1dz2 0.113719 -0.012938 0.063223 -0.046209 -0.031216 0.015111 7C 1dxz 0.020477 -0.075237 0.054742 0.016070 -0.049343 0.011049 7C 1dyz 0.204799 -0.059644 0.106471 -0.217025 -0.177878 0.110522 7C 1dx2y2 -0.015056 0.031289 -0.072684 -0.046820 -0.051971 0.078049 7C 1dxy 0.043644 -0.049026 -0.011427 -0.091062 -0.132275 0.090594 7C 2dz2 -0.330557 0.025284 -0.065760 0.503957 0.622309 -0.598478 7C 2dxz -0.094408 0.035245 -0.248259 0.208872 -0.001500 -0.224863 7C 2dyz -0.282234 0.005188 -0.343711 0.663563 0.414410 -0.523745 7C 2dx2y2 0.349160 -0.095515 0.084256 -0.618711 -0.610170 0.572025 7C 2dxy 0.164245 -0.211854 0.037525 -0.193430 -0.210666 0.222900 7C 1f0 0.028775 0.025494 -0.071958 -0.057709 -0.085798 0.029635 7C 1f+1 0.188445 -0.107888 0.093476 -0.307683 -0.272273 0.304074 7C 1f-1 -0.181844 0.076707 -0.074818 0.120620 0.206633 -0.073734 7C 1f+2 0.028261 0.047492 0.100311 0.028001 0.148186 -0.100471 7C 1f-2 -0.015610 -0.008538 -0.082662 -0.012325 -0.151633 0.040068 7C 1f+3 -0.028916 0.167013 -0.108428 0.044887 -0.025378 0.034828 7C 1f-3 0.223605 0.035609 0.039555 -0.218718 -0.157645 0.184413 8C 1s 0.004877 -0.006140 -0.007579 0.002650 0.003799 0.001282 8C 2s 0.014334 -0.017503 -0.020615 0.005988 0.009779 0.001396 8C 3s -0.105185 0.117222 0.081218 0.123122 0.072240 0.234780 8C 4s -0.271638 0.257296 0.703558 -1.303160 -1.171573 -1.917748 8C 5s -0.474314 -0.016409 -0.756227 0.438082 0.749028 1.110185 8C 1pz 0.051963 -0.058670 -0.086270 0.003965 0.024789 0.017586 8C 1px 0.033702 -0.063810 -0.026049 -0.002303 0.039975 -0.006717 8C 1py -0.101442 0.121976 0.140106 -0.023376 -0.043607 0.027103 8C 2pz -0.341554 0.270746 0.423106 -0.001672 -0.105790 -0.476454 8C 2px 0.604374 0.315846 -0.635085 0.740021 0.311202 0.793847 8C 2py 0.114394 0.098715 0.387402 -0.718319 -0.681145 -1.628695 8C 3pz 0.096873 -0.041621 0.029229 0.072533 0.003796 0.095188 8C 3px -0.061607 0.009375 0.101527 -0.069574 -0.151822 -0.169468 8C 3py -0.104582 -0.085196 -0.283422 0.091327 0.162607 0.258335 8C 1dz2 -0.006594 -0.044567 -0.026611 0.015203 0.030623 0.058324 8C 1dxz 0.152517 0.137419 -0.047753 0.097138 0.000015 0.010701 8C 1dyz 0.221640 -0.121359 -0.307633 0.180627 0.138066 0.254054 8C 1dx2y2 0.025668 0.029978 -0.037568 -0.020407 -0.046154 -0.143305 8C 1dxy -0.034440 -0.047679 0.012588 -0.050624 -0.004240 -0.087559 8C 2dz2 0.041930 0.010178 -0.159730 0.117671 0.115589 0.463603 8C 2dxz 0.041060 -0.185098 -0.061585 -0.052652 0.096918 0.042444 8C 2dyz -0.290704 0.209192 0.227046 0.087345 0.049748 0.264404 8C 2dx2y2 -0.280546 0.114389 0.289297 -0.055757 -0.004853 0.129122 8C 2dxy 0.068658 0.323238 -0.062671 0.204069 -0.056411 0.185275 8C 1f0 0.144014 -0.125677 -0.146118 0.041986 0.097044 0.010540 8C 1f+1 -0.059711 -0.041366 0.021814 -0.027807 -0.024427 -0.052454 8C 1f-1 0.104331 -0.057618 -0.199864 0.066885 0.065549 0.234958 8C 1f+2 0.061898 0.059343 -0.131899 0.044194 -0.077347 0.040185 8C 1f-2 0.024624 -0.109163 0.049360 -0.043796 0.109316 0.026585 8C 1f+3 -0.061025 0.251143 0.066770 -0.008138 -0.113296 0.062506 8C 1f-3 0.197051 -0.060696 -0.226436 0.124400 0.017379 -0.015827 9C 1s -0.008784 0.003035 -0.005850 0.004187 0.002861 0.000217 9C 2s -0.023873 0.010359 -0.015141 0.009578 0.007712 0.003192 9C 3s 0.105922 -0.150079 0.038161 0.153332 0.064957 -0.263533 9C 4s 0.701028 0.239206 0.533222 -1.710067 -1.137656 1.690274 9C 5s -0.134880 -0.472727 -1.073097 1.013250 0.514448 -0.434234 9C 1pz -0.152248 0.091599 -0.099386 0.036667 0.044713 0.046822 9C 1px -0.061633 -0.001422 -0.033612 0.011734 -0.014231 0.013987 9C 1py -0.104673 0.045416 -0.068939 0.031770 0.022989 0.040792 9C 2pz -0.031326 -0.277582 -0.309135 0.861365 0.313786 -0.887969 9C 2px -0.449377 0.380327 -0.038660 0.795148 1.240173 -0.855227 9C 2py 0.121419 -0.259672 0.105520 0.299413 0.455020 -0.630676 9C 3pz 0.041832 0.059039 0.301076 -0.141056 -0.064562 0.025843 9C 3px 0.159895 -0.007590 0.144302 -0.197975 -0.181550 0.148369 9C 3py 0.020801 0.083686 0.139296 -0.082891 -0.088736 -0.048276 9C 1dz2 0.068374 -0.042252 0.043067 -0.021104 -0.065834 0.016624 9C 1dxz -0.091163 0.129206 0.019497 0.138833 0.212867 -0.137280 9C 1dyz 0.225523 -0.112024 0.128111 -0.157819 -0.186625 0.074020 9C 1dx2y2 0.018286 -0.010081 -0.080863 -0.031140 -0.156184 0.094642 9C 1dxy 0.069442 -0.005494 0.090668 -0.052620 0.058224 0.003403 9C 2dz2 -0.199798 0.215566 -0.008182 -0.124305 0.127269 0.125523 9C 2dxz -0.148979 -0.095915 -0.175987 -0.058464 -0.198384 0.123049 9C 2dyz -0.348402 0.260830 -0.162636 -0.098974 -0.112898 0.400447 9C 2dx2y2 0.212360 -0.118620 0.108486 -0.137846 -0.183299 0.008759 9C 2dxy -0.042359 -0.104287 -0.052072 -0.141344 -0.245963 0.174946 9C 1f0 -0.012167 -0.090303 -0.041627 0.016859 -0.113375 0.039134 9C 1f+1 0.195816 -0.013237 0.139513 -0.066993 0.091923 -0.061632 9C 1f-1 0.232428 -0.192981 0.136219 -0.095366 -0.177784 0.009715 9C 1f+2 -0.061179 0.055404 0.012114 0.039541 0.071873 0.023703 9C 1f-2 -0.021098 0.135205 -0.012713 0.091341 0.188403 -0.094287 9C 1f+3 0.212489 0.013689 0.096673 -0.055102 0.003464 -0.037956 9C 1f-3 0.108752 -0.064518 0.029168 -0.067940 -0.080293 0.002482 10H 1s -0.112413 -0.003470 -0.088273 -0.059026 0.063395 0.045875 10H 2s -0.423495 0.211748 -0.049129 -0.395806 0.738474 0.443964 10H 3s 0.215588 -0.070985 0.094926 0.278889 -0.343621 -0.251796 10H 1pz -0.244469 0.092865 -0.060513 -0.202454 0.289595 0.174598 10H 1px 0.082178 -0.073594 -0.035103 0.104364 -0.271118 -0.172183 10H 1py -0.109941 0.026022 -0.016945 -0.081887 0.134789 0.072707 11H 1s -0.110911 0.055571 -0.069201 -0.049453 0.012935 -0.037693 11H 2s 0.253668 -0.213888 0.189179 0.361619 -0.400267 -0.314224 11H 3s -0.094512 0.107928 -0.075773 -0.054809 0.101800 0.099815 11H 1pz 0.074369 -0.087813 0.039604 0.120021 -0.112420 -0.096791 11H 1px 0.085821 -0.075693 0.071413 0.114609 -0.135608 -0.115524 11H 1py -0.113375 0.048291 -0.056220 -0.079418 0.118684 0.073295 12H 1s -0.092878 0.030128 -0.038970 -0.020771 0.026547 -0.015444 12H 2s -0.015387 0.015247 -0.172642 -0.035902 -0.348191 -0.088753 12H 3s 0.006084 -0.000884 0.112723 0.098170 0.105590 -0.040044 12H 1pz -0.100269 0.066678 -0.094736 -0.084976 0.085158 0.039786 12H 1px -0.020711 0.020941 -0.036662 -0.017713 -0.071933 -0.020675 12H 1py -0.018273 0.003629 -0.104167 -0.035541 -0.153783 -0.029517 13H 1s 0.022861 -0.088643 -0.073442 -0.015927 0.069515 -0.062600 13H 2s 0.487009 -0.010282 -0.456067 -0.377224 0.321530 -0.506945 13H 3s -0.200644 0.015692 0.205566 0.214235 -0.213896 0.328361 13H 1pz 0.209400 0.011505 -0.174002 -0.154340 0.136639 -0.189486 13H 1px -0.102820 -0.048467 0.096755 0.092249 -0.032769 0.110373 13H 1py -0.191232 0.080847 0.167008 0.132648 -0.160897 0.164409 14H 1s 0.077875 -0.044615 -0.072970 -0.022241 0.049760 -0.022561 14H 2s -0.219171 -0.311794 0.023483 0.067546 0.089159 -0.244105 14H 3s 0.112049 0.129946 0.044733 0.030976 -0.062902 0.185747 14H 1pz -0.082722 -0.114471 -0.008641 0.021473 0.042228 -0.104709 14H 1px -0.092539 -0.141375 0.020889 0.027945 0.044768 -0.102528 14H 1py -0.050110 0.087901 0.119796 0.051121 -0.044464 0.057080 15H 1s 0.067466 -0.086875 -0.065752 -0.006414 0.027797 0.029161 15H 2s -0.175709 0.191463 0.422396 0.253027 -0.308285 0.819473 15H 3s 0.065491 -0.102643 -0.161850 -0.078617 0.073126 -0.241086 15H 1pz 0.093814 -0.076963 -0.179353 -0.101319 0.117912 -0.249021 15H 1px 0.014080 0.019312 0.032664 0.019853 -0.013106 0.080129 15H 1py 0.076830 -0.072278 -0.149355 -0.100855 0.108386 -0.305166 16H 1s -0.099132 -0.306626 0.186461 0.339465 0.029865 0.050368 16H 2s -0.247478 -0.502227 0.085031 0.569421 0.113014 0.176957 16H 3s 0.095694 0.197702 -0.026125 -0.215144 0.033526 0.015777 16H 1pz -0.143481 -0.384287 0.206303 0.421339 0.070997 0.120408 16H 1px 0.011894 0.026860 -0.002881 -0.039243 -0.012638 -0.012992 16H 1py -0.096765 -0.215515 0.099795 0.249529 0.003092 0.027145 17H 1s 0.181724 0.341939 0.052579 -0.380053 0.023480 0.060940 17H 2s 0.333635 0.494494 -0.136986 -0.648128 0.111146 0.186386 17H 3s -0.091129 -0.209509 0.045238 0.215778 0.030717 0.006646 17H 1pz -0.165889 -0.260865 -0.031187 0.298963 -0.039250 -0.084281 17H 1px -0.172711 -0.269148 -0.014114 0.328712 -0.051195 -0.093724 17H 1py 0.168264 0.301850 0.010599 -0.346897 0.010054 0.050014 18H 1s 0.183390 0.343624 0.063405 0.377985 0.003709 -0.057985 18H 2s 0.330161 0.496483 -0.116375 0.660268 0.074283 -0.236596 18H 3s -0.093104 -0.210204 0.038156 -0.214845 0.041842 -0.001245 18H 1pz 0.170625 0.269774 0.040518 0.309584 0.023387 -0.089655 18H 1px 0.172936 0.271461 0.023810 0.332002 0.032937 -0.105894 18H 1py -0.164301 -0.295905 -0.019863 -0.337198 0.009176 0.049089 19H 1s -0.099451 -0.306637 0.175628 -0.339830 0.047483 -0.026016 19H 2s -0.252527 -0.503025 0.066151 -0.556849 0.141527 -0.191806 19H 3s 0.094932 0.197507 -0.019191 0.215595 0.023234 -0.019988 19H 1pz 0.143076 0.379318 -0.190394 0.411887 -0.091584 0.103021 19H 1px -0.013636 -0.030339 0.003279 -0.042162 0.015588 -0.016511 19H 1py 0.100024 0.223249 -0.095698 0.258221 -0.018324 0.015846 20H 1s 0.064794 -0.087155 -0.065424 0.011037 0.028368 -0.032192 20H 2s -0.167990 0.191062 0.414018 -0.276224 -0.285390 -0.847624 20H 3s 0.062928 -0.100716 -0.160327 0.085145 0.065805 0.243730 20H 1pz -0.090741 0.077135 0.176399 -0.111715 -0.110289 -0.250948 20H 1px -0.013399 -0.018912 -0.033762 0.021866 0.012034 0.090641 20H 1py -0.072767 0.071854 0.145644 -0.108337 -0.098303 -0.319304 21H 1s 0.075048 -0.046251 -0.071455 0.027232 0.048750 0.011404 21H 2s -0.217065 -0.297759 0.025080 -0.070636 0.086886 0.209497 21H 3s 0.110411 0.124016 0.041298 -0.032005 -0.058216 -0.178443 21H 1pz 0.082001 0.110095 0.007986 0.021240 -0.041827 -0.097928 21H 1px 0.090998 0.134406 -0.021278 0.028932 -0.043565 -0.087993 21H 1py 0.047305 -0.087788 -0.118138 0.057601 0.041334 0.064434 22H 1s 0.021711 -0.087904 -0.073150 0.022626 0.068759 0.062475 22H 2s 0.472572 -0.025505 -0.447479 0.413202 0.297764 0.564899 22H 3s -0.194663 0.023581 0.199817 -0.233923 -0.200275 -0.352558 22H 1pz -0.202125 -0.004300 0.169177 -0.168018 -0.126490 -0.207295 22H 1px 0.100253 0.044585 -0.095772 0.098169 0.027005 0.134320 22H 1py 0.185728 -0.084957 -0.164184 0.149196 0.152755 0.177890 23H 1s -0.092238 0.032472 -0.037428 0.023646 0.025120 0.015233 23H 2s -0.004238 0.002179 -0.161574 0.005153 -0.366285 0.139658 23H 3s 0.002027 0.003758 0.105619 -0.089031 0.118496 0.012731 23H 1pz 0.098830 -0.067073 0.093467 -0.089988 -0.078298 0.042243 23H 1px 0.018545 -0.018828 0.033550 -0.011491 0.074076 -0.032444 23H 1py 0.012673 0.003107 0.098966 -0.021737 0.164826 -0.053529 24H 1s -0.108790 0.056566 -0.068107 0.050469 0.009759 0.035676 24H 2s 0.241094 -0.222830 0.179588 -0.383684 -0.361479 0.270416 24H 3s -0.091198 0.109368 -0.073678 0.059778 0.092393 -0.088655 24H 1pz -0.068455 0.090442 -0.036046 0.123928 0.097682 -0.075973 24H 1px -0.083633 0.078877 -0.069453 0.123833 0.124997 -0.104848 24H 1py 0.109990 -0.051139 0.052612 -0.086515 -0.110867 0.068233 25H 1s -0.112191 -0.003677 -0.087382 0.064066 0.059068 -0.049593 25H 2s -0.424089 0.234406 -0.048768 0.446740 0.711881 -0.430139 25H 3s 0.216407 -0.081992 0.094129 -0.304766 -0.323894 0.246211 25H 1pz 0.243402 -0.102791 0.058579 -0.223295 -0.277193 0.165644 25H 1px -0.083795 0.081573 0.033812 0.122290 0.264025 -0.169263 25H 1py 0.110042 -0.030197 0.016741 -0.091015 -0.127172 0.067140 26O 1s 0.001486 0.000579 -0.002340 0.007841 -0.005294 -0.005058 26O 2s 0.002198 0.000766 -0.008754 0.022444 -0.012958 -0.011241 26O 3s 0.086689 0.015294 0.100051 -0.044903 -0.032388 -0.081942 26O 4s -0.618148 -0.114738 -0.416916 -0.437351 0.588898 0.819865 26O 5s -0.434025 0.540210 0.683238 -0.952461 0.845646 0.727332 26O 1pz -0.032455 -0.068322 -0.040080 0.005170 -0.097915 -0.025030 26O 1px -0.006215 0.045520 0.017623 0.020161 -0.021134 -0.025752 26O 1py -0.006929 -0.053994 0.021825 0.031643 -0.045416 -0.024990 26O 2pz 0.171917 0.141128 0.133541 0.098273 0.162057 -0.043048 26O 2px 0.393850 -0.099781 0.003294 0.439595 -0.400146 -0.514308 26O 2py 0.190793 0.152712 -0.054098 0.155486 -0.121867 -0.222637 26O 3pz -0.014630 -0.063949 0.420074 0.102282 -0.181645 -0.216911 26O 3px 0.267287 -0.099873 0.326694 0.449976 -0.502729 -0.484494 26O 3py 0.114608 0.033978 0.214201 0.240073 -0.430724 -0.260736 26O 1dz2 -0.006038 -0.003374 0.011957 -0.010595 0.016000 0.009747 26O 1dxz 0.003508 0.001738 0.003368 0.003994 -0.011740 -0.012061 26O 1dyz 0.002951 0.005422 0.001238 0.001091 -0.012996 -0.003769 26O 1dx2y2 0.005734 -0.005091 0.002120 0.009397 -0.007821 -0.015511 26O 1dxy 0.003280 -0.002058 0.002645 0.009033 -0.013182 -0.017000 26O 2dz2 0.079739 -0.022560 0.034776 0.097137 -0.107766 -0.141803 26O 2dxz -0.043304 -0.030322 -0.053014 -0.065867 -0.018864 0.051710 26O 2dyz 0.019435 -0.026457 -0.003301 -0.002184 -0.075854 -0.010358 26O 2dx2y2 -0.121878 0.079589 -0.066397 -0.130448 0.088665 0.109525 26O 2dxy -0.074394 -0.102554 0.077902 -0.092495 0.144614 0.141722 26O 1f0 -0.019337 0.002951 -0.005740 -0.007939 0.010055 -0.004996 26O 1f+1 -0.014073 -0.025958 -0.003625 0.001404 -0.011672 -0.001963 26O 1f-1 0.010727 -0.017535 0.001526 0.015451 -0.021780 -0.014173 26O 1f+2 0.019925 0.004873 0.020618 -0.002918 0.017912 0.015505 26O 1f-2 0.013637 -0.016452 -0.007511 0.011225 -0.039793 -0.019914 26O 1f+3 0.027128 -0.022967 0.022420 0.010928 -0.005863 0.002287 26O 1f-3 -0.012809 0.005198 -0.017336 -0.021470 0.004810 0.019092 27O 1s -0.001753 0.000936 -0.000715 0.002586 -0.003528 0.007063 27O 2s -0.004178 0.003125 -0.003689 0.004187 -0.007027 0.018070 27O 3s -0.025503 0.017380 0.062620 0.078563 -0.098892 0.026486 27O 4s 0.287133 -0.241252 -0.366036 -0.580494 0.805862 -0.752559 27O 5s 0.704229 -0.405749 0.249311 -0.324427 0.596698 -0.654846 27O 1pz -0.018866 0.008562 0.070045 0.009342 0.029686 0.024541 27O 1px 0.037307 0.031711 0.010238 -0.005102 -0.043141 0.056313 27O 1py 0.052636 0.050629 -0.072102 -0.025756 -0.019126 -0.006256 27O 2pz 0.040256 -0.032110 -0.195355 -0.046737 -0.070127 -0.084104 27O 2px -0.349443 0.150574 0.017539 0.369846 -0.494890 0.462844 27O 2py -0.071740 -0.250486 0.152015 -0.006659 0.210624 -0.142840 27O 3pz -0.052945 -0.126471 0.126846 0.025804 -0.054623 0.131166 27O 3px -0.132796 0.239359 0.336608 0.238934 -0.547838 0.585800 27O 3py -0.117741 -0.059517 -0.446494 -0.137374 0.106188 -0.337827 27O 1dz2 -0.003618 -0.005430 -0.011950 -0.009087 -0.002113 -0.007613 27O 1dxz 0.002705 -0.004852 0.001393 -0.001607 0.004657 0.000454 27O 1dyz 0.003934 0.008673 -0.012059 -0.007228 -0.001791 -0.008854 27O 1dx2y2 -0.011253 -0.000035 -0.001592 0.007749 -0.016687 0.018221 27O 1dxy 0.005817 0.004898 -0.012841 -0.009941 0.004890 -0.014083 27O 2dz2 -0.076835 0.009759 -0.047545 0.056239 -0.136206 0.081767 27O 2dxz 0.005994 0.107118 0.122427 0.027612 0.023919 0.052585 27O 2dyz 0.036614 -0.015937 -0.083566 -0.053020 0.028960 -0.065764 27O 2dx2y2 0.110956 -0.025855 -0.026666 -0.139830 0.178000 -0.155384 27O 2dxy 0.070821 0.108008 -0.059569 0.009644 -0.085460 0.096479 27O 1f0 0.017913 -0.034110 -0.019513 -0.010541 0.023106 -0.007422 27O 1f+1 -0.013464 -0.020920 -0.005055 -0.003573 0.012513 -0.033273 27O 1f-1 -0.002168 -0.001958 0.001767 0.009570 0.000316 -0.010525 27O 1f+2 0.001691 0.012354 0.017478 0.000230 0.006280 -0.000199 27O 1f-2 0.019941 0.014217 -0.013668 -0.019820 0.003710 -0.015091 27O 1f+3 -0.015482 -0.004779 0.022644 0.011889 0.004910 0.008245 27O 1f-3 -0.026022 0.014056 0.012198 0.010421 -0.029628 0.010475 28O 1s 0.004808 -0.002099 -0.000522 0.003876 -0.006562 -0.005547 28O 2s 0.014914 -0.007640 -0.001945 0.008252 -0.018363 -0.014255 28O 3s -0.065453 0.029217 0.029171 0.056868 0.010001 -0.017059 28O 4s -0.074597 0.110552 -0.246238 -0.564664 0.491547 0.488682 28O 5s -0.606791 0.531861 0.385888 -0.160746 0.581101 0.646160 28O 1pz 0.079673 0.015813 0.070063 0.019693 -0.002315 -0.044105 28O 1px 0.017300 0.035508 0.010076 -0.032371 0.109811 0.045235 28O 1py 0.068645 0.045738 0.023994 0.001628 0.017221 0.016422 28O 2pz -0.044835 -0.226007 -0.185492 0.175230 -0.370224 -0.166814 28O 2px -0.179765 0.063682 -0.039804 -0.224007 0.130519 0.256469 28O 2py -0.142732 -0.185388 -0.046755 0.029220 -0.101676 -0.080693 28O 3pz 0.246244 0.114282 0.369589 0.275080 -0.365538 -0.407011 28O 3px -0.159305 0.180641 -0.133637 -0.184337 0.346296 0.301028 28O 3py 0.097481 0.018736 0.361665 0.141208 0.049440 -0.117480 28O 1dz2 0.004005 0.008777 0.000650 -0.001661 0.005643 0.002867 28O 1dxz -0.011841 0.005502 -0.005590 -0.011483 0.008084 0.012990 28O 1dyz 0.008133 0.007863 0.011716 0.011490 0.006572 -0.002978 28O 1dx2y2 0.012440 0.004044 -0.005814 0.011854 -0.022808 -0.012943 28O 1dxy 0.004790 -0.001198 0.006102 0.006077 -0.000713 -0.006583 28O 2dz2 0.073471 0.022338 0.094089 0.037147 0.034777 -0.033881 28O 2dxz 0.006491 -0.011939 -0.072556 0.096787 -0.162192 -0.117283 28O 2dyz 0.092072 0.065929 0.046974 0.050467 -0.017808 -0.008037 28O 2dx2y2 -0.072654 0.043292 -0.057699 -0.098895 0.057655 0.101627 28O 2dxy -0.064942 -0.061288 0.037907 0.021175 0.036474 -0.041084 28O 1f0 0.003631 0.021040 -0.008698 -0.000027 0.003914 -0.002344 28O 1f+1 -0.026920 0.023873 -0.020254 -0.025931 0.037043 0.017882 28O 1f-1 0.013004 -0.004920 -0.000233 0.013661 -0.014016 -0.017339 28O 1f+2 -0.011844 -0.010797 -0.003078 -0.005540 -0.013312 -0.014680 28O 1f-2 -0.013665 -0.011878 -0.005367 -0.011818 0.005616 0.007925 28O 1f+3 -0.019818 0.010522 -0.021760 -0.006254 -0.007789 -0.000363 28O 1f-3 -0.025480 0.018243 -0.004459 -0.009827 0.040774 0.005092 29O 1s -0.003922 -0.002338 -0.014359 0.001579 -0.000014 -0.001866 29O 2s -0.015418 -0.008859 -0.054654 0.006490 -0.001033 -0.009417 29O 3s 0.161307 0.086648 0.538521 -0.073588 0.031223 0.141145 29O 4s -0.379742 -0.208789 -1.275357 0.177941 -0.034657 -0.362625 29O 5s 0.269960 0.234126 1.297463 -0.074788 -0.431447 -0.074650 29O 1pz 0.088613 0.223064 -0.061730 -0.243390 -0.002842 -0.014534 29O 1px 0.048736 0.092164 0.013798 -0.101940 -0.011976 0.034963 29O 1py -0.039608 -0.022508 -0.056000 0.033351 -0.047705 -0.069858 29O 2pz -0.457651 -1.019915 0.264556 1.136214 0.027188 0.056030 29O 2px -0.227077 -0.400936 -0.003119 0.460955 -0.005151 -0.137385 29O 2py 0.153866 0.115322 0.207514 -0.157751 0.142291 0.239884 29O 3pz 0.031811 0.125411 0.105389 -0.082736 -0.017079 0.017707 29O 3px -0.093266 -0.023762 -0.398590 0.010443 0.042516 -0.037692 29O 3py -0.039615 -0.036062 -0.208760 0.008616 0.029441 0.028912 29O 1dz2 0.003549 0.000962 0.002230 0.000382 0.000891 0.001988 29O 1dxz -0.007419 -0.006516 -0.006670 0.004070 -0.001267 -0.002255 29O 1dyz -0.007827 -0.017723 0.003602 0.014642 0.003829 0.003579 29O 1dx2y2 0.004031 -0.001397 0.022485 -0.001150 0.006404 0.010421 29O 1dxy -0.008137 -0.004465 -0.005827 0.005311 -0.010261 -0.011858 29O 2dz2 0.113604 0.268468 -0.130656 -0.297483 -0.025576 -0.054316 29O 2dxz -0.168657 -0.286966 -0.014114 0.322812 -0.023513 -0.059036 29O 2dyz 0.193132 0.399114 -0.099304 -0.464928 -0.002718 0.002085 29O 2dx2y2 -0.018633 -0.078737 0.083497 0.080305 0.027477 0.048262 29O 2dxy 0.110772 0.198074 0.015338 -0.230691 0.005026 0.032961 29O 1f0 0.009137 0.026135 -0.025969 -0.030506 0.000076 -0.005983 29O 1f+1 0.024278 0.038251 0.002146 -0.041489 -0.002546 0.001491 29O 1f-1 0.012859 0.046678 -0.031477 -0.050129 -0.010013 -0.013173 29O 1f+2 -0.012596 -0.019383 0.007300 0.020995 -0.005895 -0.002505 29O 1f-2 -0.036285 -0.082755 0.010500 0.090864 0.004181 -0.001537 29O 1f+3 0.011567 0.024267 -0.009357 -0.025348 -0.004365 -0.002695 29O 1f-3 0.028107 0.038204 0.017232 -0.044694 0.019219 0.021996 30O 1s -0.005104 0.001330 0.001561 0.007758 -0.005342 0.006343 30O 2s -0.016176 0.004597 0.003434 0.023668 -0.014980 0.017056 30O 3s 0.070441 -0.020767 0.055197 -0.089783 0.032037 -0.005065 30O 4s 0.046206 -0.050389 -0.574176 -0.197083 0.226123 -0.506743 30O 5s 0.709839 -0.587583 0.413250 -0.741580 0.609270 -0.307146 30O 1pz -0.031716 0.024805 0.003943 0.016124 -0.068482 0.033993 30O 1px 0.028086 0.063447 -0.085753 -0.050649 -0.002644 -0.057247 30O 1py -0.020280 -0.086053 0.017981 -0.010330 0.076716 -0.033951 30O 2pz -0.047587 0.011601 0.133788 0.173595 0.015506 0.142353 30O 2px 0.088196 -0.213339 0.037175 -0.134421 0.218506 -0.179282 30O 2py 0.254632 0.139824 -0.205017 -0.216886 0.002266 -0.142535 30O 3pz 0.134119 0.283461 0.390662 0.172200 -0.247056 0.356696 30O 3px 0.170798 -0.105826 -0.127823 -0.263509 0.251105 -0.189360 30O 3py -0.029691 -0.183470 -0.340692 -0.201415 0.434792 -0.381132 30O 1dz2 0.008842 0.000184 -0.002053 -0.006295 0.007803 -0.001272 30O 1dxz 0.012941 0.002060 0.001796 -0.009179 0.015734 -0.008286 30O 1dyz 0.000554 -0.006441 -0.008680 -0.001527 0.007832 -0.012666 30O 1dx2y2 -0.001617 0.007453 0.005432 0.007736 -0.003703 0.015269 30O 1dxy -0.004325 0.007817 0.002367 0.011087 -0.008475 0.006861 30O 2dz2 -0.086398 0.002285 0.006384 0.011602 -0.059914 0.031424 30O 2dxz 0.043978 0.078472 0.052411 0.064863 -0.027385 0.096353 30O 2dyz -0.026387 -0.068968 -0.008986 0.054166 0.019026 -0.001700 30O 2dx2y2 0.010714 -0.084640 -0.008571 -0.020056 0.083590 -0.056876 30O 2dxy 0.091566 0.032790 -0.017908 -0.068429 0.102013 -0.091201 30O 1f0 0.013072 0.005182 0.001090 -0.013444 0.021595 -0.029513 30O 1f+1 0.034557 -0.002860 -0.032422 -0.014311 0.013504 -0.006758 30O 1f-1 0.000104 -0.020496 -0.003567 -0.001188 0.014521 -0.014829 30O 1f+2 0.003545 -0.038150 -0.005934 -0.008246 0.022621 -0.010657 30O 1f-2 -0.004383 -0.001854 0.015115 0.011922 -0.001321 0.006077 30O 1f+3 0.020911 -0.009409 -0.037709 -0.005379 0.009835 -0.023643 30O 1f-3 -0.007099 -0.000948 0.036701 0.013250 0.016801 0.000550 31O 1s -0.004923 0.001536 0.001354 -0.008078 -0.004837 -0.007092 31O 2s -0.015586 0.005294 0.002823 -0.024528 -0.013478 -0.019210 31O 3s 0.067129 -0.025882 0.056957 0.089393 0.027231 0.008717 31O 4s 0.048202 -0.039814 -0.566276 0.226092 0.209007 0.532700 31O 5s 0.691425 -0.603274 0.432509 0.768803 0.559153 0.465551 31O 1pz 0.030529 -0.026563 -0.003097 0.020460 0.067645 0.032480 31O 1px -0.026917 -0.061320 0.084828 -0.052746 0.005181 -0.068968 31O 1py 0.019329 0.084756 -0.017763 -0.014897 -0.076716 -0.031837 31O 2pz 0.047731 -0.008178 -0.129782 0.176552 -0.028196 0.182492 31O 2px -0.087262 0.208839 -0.042745 -0.146287 -0.206214 -0.197065 31O 2py -0.247344 -0.134734 0.196692 -0.221468 0.014353 -0.181761 31O 3pz -0.129812 -0.279892 -0.387205 0.199051 0.237438 0.351375 31O 3px -0.166718 0.111251 0.120854 -0.282859 -0.235014 -0.236841 31O 3py 0.026003 0.181340 0.335755 -0.238239 -0.422546 -0.353683 31O 1dz2 0.008395 -0.000141 -0.001840 0.006890 0.007262 0.001350 31O 1dxz 0.012827 0.002023 0.002111 0.010162 0.015053 0.009391 31O 1dyz 0.000602 -0.006253 -0.008656 0.002022 0.007647 0.010552 31O 1dx2y2 -0.001619 0.007244 0.005290 -0.008194 -0.003214 -0.018414 31O 1dxy -0.004190 0.007749 0.001955 -0.011587 -0.007606 -0.008445 31O 2dz2 -0.084754 0.002535 0.005058 -0.014850 -0.059211 -0.030712 31O 2dxz 0.042820 0.075752 0.051272 -0.068325 -0.022718 -0.117623 31O 2dyz -0.025435 -0.066396 -0.010863 -0.052936 0.022632 -0.015491 31O 2dx2y2 0.010553 -0.083727 -0.008300 0.026351 0.081798 0.058506 31O 2dxy 0.089688 0.032501 -0.014774 0.074468 0.096240 0.101560 31O 1f0 -0.013069 -0.004920 -0.001571 -0.014651 -0.020584 -0.031811 31O 1f+1 -0.033417 0.003554 0.031880 -0.016215 -0.012713 -0.007087 31O 1f-1 0.000075 0.020220 0.003335 -0.002145 -0.014218 -0.016017 31O 1f+2 -0.003359 0.037570 0.005767 -0.010175 -0.022071 -0.013573 31O 1f-2 0.004044 0.001586 -0.014956 0.012357 0.000564 0.008055 31O 1f+3 -0.020275 0.009861 0.037564 -0.007155 -0.009676 -0.023488 31O 1f-3 0.006637 0.000334 -0.036511 0.013387 -0.017291 0.003675 32O 1s -0.004110 -0.002464 -0.014360 -0.001268 0.000046 -0.000289 32O 2s -0.016064 -0.009328 -0.054661 -0.005388 -0.000762 0.001587 32O 3s 0.166422 0.091205 0.538693 0.064645 0.027620 -0.070597 32O 4s -0.390241 -0.219155 -1.275728 -0.154747 -0.025665 0.203072 32O 5s 0.287779 0.242326 1.296370 0.014389 -0.430736 0.270011 32O 1pz -0.090564 -0.224485 0.052867 -0.244100 0.014482 -0.005384 32O 1px -0.048554 -0.091639 -0.017298 -0.099813 0.017132 0.038159 32O 1py 0.036614 0.016609 0.057764 0.027636 0.046071 -0.071580 32O 2pz 0.465507 1.026249 -0.224197 1.138584 -0.083090 0.016838 32O 2px 0.226003 0.398786 0.019157 0.456690 -0.018609 -0.157415 32O 2py -0.140563 -0.090273 -0.216102 -0.131744 -0.134732 0.239348 32O 3pz -0.033853 -0.126436 -0.109255 -0.078636 0.020221 0.005289 32O 3px 0.094561 0.026238 0.397009 -0.000715 -0.042451 0.017340 32O 3py 0.044080 0.034369 0.209207 -0.003122 -0.028540 0.062211 32O 1dz2 0.003754 0.001432 0.002071 0.000131 0.000747 -0.001764 32O 1dxz -0.007217 -0.006286 -0.006670 -0.003757 -0.000989 0.001383 32O 1dyz -0.007902 -0.017847 0.003607 -0.014533 0.004611 -0.004315 32O 1dx2y2 0.004020 -0.001037 0.022416 0.001305 0.006306 -0.008172 32O 1dxy -0.007869 -0.004435 -0.005760 -0.005580 -0.009890 0.013938 32O 2dz2 0.105344 0.249742 -0.117513 0.275367 -0.039710 0.041455 32O 2dxz -0.174090 -0.298057 -0.022358 -0.334153 -0.005883 0.063904 32O 2dyz 0.196868 0.407013 -0.087887 0.471991 -0.028124 -0.017994 32O 2dx2y2 -0.025116 -0.089886 0.082355 -0.092666 0.032018 -0.040870 32O 2dxy 0.106843 0.189720 0.023330 0.220098 -0.006834 -0.030042 32O 1f0 -0.008649 -0.023995 0.023090 -0.028616 0.000961 -0.001524 32O 1f+1 -0.025539 -0.040514 -0.003842 -0.043514 0.004924 0.001281 32O 1f-1 -0.012948 -0.047019 0.030896 -0.050594 0.012764 -0.010512 32O 1f+2 0.011824 0.018987 -0.008064 0.020845 0.004084 -0.003566 32O 1f-2 0.036653 0.083251 -0.008360 0.090567 -0.008795 -0.001980 32O 1f+3 -0.010248 -0.021339 0.008684 -0.021856 0.005841 -0.001941 32O 1f-3 -0.028075 -0.038692 -0.018080 -0.045280 -0.016865 0.024426 33O 1s 0.004843 -0.002368 -0.000541 -0.004358 -0.006251 0.004920 33O 2s 0.015001 -0.008509 -0.001912 -0.009646 -0.017648 0.012651 33O 3s -0.065369 0.034559 0.026562 -0.054139 0.013013 0.017562 33O 4s -0.078349 0.102714 -0.231990 0.592300 0.452847 -0.470539 33O 5s -0.610141 0.551683 0.385325 0.187272 0.565361 -0.499390 33O 1pz -0.080384 -0.016137 -0.069948 0.021255 0.000330 -0.037040 33O 1px -0.017360 -0.038427 -0.009662 -0.039609 -0.107425 0.044853 33O 1py -0.066700 -0.045408 -0.023776 0.000993 -0.017244 0.017814 33O 2pz 0.046054 0.231082 0.189690 0.192941 0.358586 -0.150496 33O 2px 0.182939 -0.059798 0.033343 -0.229596 -0.114137 0.219377 33O 2py 0.136634 0.185912 0.046462 0.034551 0.099394 -0.075236 33O 3pz -0.251345 -0.114903 -0.366192 0.301386 0.343461 -0.408824 33O 3px 0.160356 -0.186424 0.132093 -0.207983 -0.332466 0.265325 33O 3py -0.099548 -0.024883 -0.359010 0.146546 -0.060249 -0.117534 33O 1dz2 0.003652 0.008437 0.000596 0.001985 0.005365 -0.002005 33O 1dxz -0.011811 0.005574 -0.005297 0.012170 0.007240 -0.010005 33O 1dyz 0.008348 0.007959 0.011438 -0.011493 0.007316 0.003615 33O 1dx2y2 0.012429 0.003717 -0.005888 -0.013025 -0.022071 0.012543 33O 1dxy 0.004734 -0.001348 0.006029 -0.006261 -0.000324 0.006599 33O 2dz2 0.074940 0.022731 0.093891 -0.036428 0.036913 0.034823 33O 2dxz 0.006475 -0.013378 -0.075005 -0.104354 -0.155541 0.100465 33O 2dyz 0.090354 0.067736 0.045115 -0.052347 -0.014463 0.016204 33O 2dx2y2 -0.073708 0.041717 -0.055398 0.103166 0.050055 -0.086426 33O 2dxy -0.061979 -0.059702 0.037851 -0.019370 0.038731 0.030447 33O 1f0 -0.004081 -0.021241 0.008786 -0.000444 -0.003762 -0.001697 33O 1f+1 0.026889 -0.024519 0.019827 -0.028412 -0.035035 0.017325 33O 1f-1 -0.012698 0.004656 0.000730 0.014168 0.012996 -0.012793 33O 1f+2 0.011295 0.011241 0.002525 -0.004486 0.013720 -0.016365 33O 1f-2 0.013195 0.011818 0.005026 -0.012119 -0.004772 0.008042 33O 1f+3 0.019387 -0.010319 0.021651 -0.006036 0.008206 -0.000054 33O 1f-3 0.025114 -0.019485 0.004313 -0.012500 -0.040313 0.007317 34O 1s -0.001701 0.000824 -0.000780 -0.002770 -0.003268 -0.007970 34O 2s -0.004044 0.002663 -0.003774 -0.004491 -0.006449 -0.020585 34O 3s -0.025246 0.022772 0.059979 -0.086381 -0.095459 -0.020013 34O 4s 0.280769 -0.260481 -0.348117 0.639686 0.768691 0.768417 34O 5s 0.691997 -0.400289 0.252093 0.361717 0.564512 0.840141 34O 1pz 0.018616 -0.007698 -0.069742 0.009806 -0.029737 0.032174 34O 1px -0.036859 -0.029747 -0.009973 -0.002762 0.042701 0.058755 34O 1py -0.050617 -0.048354 0.071209 -0.026976 0.021037 -0.015734 34O 2pz -0.039663 0.029766 0.193722 -0.048083 0.071476 -0.103853 34O 2px 0.342773 -0.161162 -0.008034 0.403077 0.468673 0.513979 34O 2py 0.068185 0.245064 -0.151342 -0.015188 -0.209628 -0.138586 34O 3pz 0.053608 0.120658 -0.123810 0.030032 0.053349 0.116437 34O 3px 0.129628 -0.245968 -0.330214 0.281090 0.529734 0.615660 34O 3py 0.115847 0.065995 0.440749 -0.154670 -0.097785 -0.327194 34O 1dz2 -0.003623 -0.005309 -0.011711 0.009378 -0.002646 0.009277 34O 1dxz 0.002686 -0.004604 0.001482 0.001796 0.004535 -0.000866 34O 1dyz 0.003811 0.008387 -0.011781 0.007254 -0.002169 0.007621 34O 1dx2y2 -0.010966 0.000441 -0.001902 -0.008616 -0.015885 -0.020551 34O 1dxy 0.005683 0.004860 -0.012617 0.010598 0.004265 0.015726 34O 2dz2 -0.075034 0.012320 -0.049373 -0.063123 -0.131576 -0.092579 34O 2dxz 0.006992 0.106211 0.121095 -0.029042 0.025213 -0.058362 34O 2dyz 0.035146 -0.018474 -0.081682 0.056699 0.025896 0.066961 34O 2dx2y2 0.108803 -0.029636 -0.022787 0.152387 0.168811 0.173390 34O 2dxy 0.069051 0.105264 -0.059179 -0.013133 -0.084357 -0.110985 34O 1f0 -0.017245 0.033952 0.019165 -0.012666 -0.022441 -0.008523 34O 1f+1 0.013135 0.020631 0.005056 -0.004341 -0.012024 -0.035235 34O 1f-1 0.002030 0.001813 -0.001715 0.009672 -0.000913 -0.009266 34O 1f+2 -0.001939 -0.011936 -0.017303 0.000107 -0.006186 -0.002721 34O 1f-2 -0.019437 -0.013409 0.013191 -0.020533 -0.002561 -0.020737 34O 1f+3 0.015029 0.003754 -0.022351 0.012390 -0.005353 0.011244 34O 1f-3 0.025290 -0.014157 -0.011689 0.012583 0.028924 0.007787 35O 1s 0.001539 0.000616 -0.002526 -0.008065 -0.004741 0.004252 35O 2s 0.002359 0.001017 -0.009334 -0.022831 -0.011390 0.009045 35O 3s 0.085675 0.009964 0.102669 0.038387 -0.035205 0.083545 35O 4s -0.616565 -0.088565 -0.414894 0.489514 0.556074 -0.780768 35O 5s -0.443209 0.543173 0.701400 0.983947 0.788029 -0.550133 35O 1pz 0.032247 0.070912 0.039087 0.010750 0.098253 -0.029904 35O 1px 0.006300 -0.046684 -0.017434 0.021279 0.019405 -0.023615 35O 1py 0.008064 0.052807 -0.020752 0.034383 0.042783 -0.023799 35O 2pz -0.170870 -0.146707 -0.128852 0.088840 -0.170908 -0.020463 35O 2px -0.394003 0.113992 0.004153 0.466262 0.369821 -0.451970 35O 2py -0.195782 -0.144137 0.054556 0.163505 0.112861 -0.196962 35O 3pz 0.011949 0.068953 -0.421822 0.125249 0.171968 -0.260343 35O 3px -0.274705 0.103608 -0.320499 0.489243 0.471823 -0.459684 35O 3py -0.115571 -0.027231 -0.213559 0.272636 0.414634 -0.295182 35O 1dz2 -0.005882 -0.002901 0.012170 0.011203 0.015159 -0.008167 35O 1dxz 0.003658 0.001875 0.003388 -0.004796 -0.011357 0.012707 35O 1dyz 0.002835 0.005137 0.001381 -0.001979 -0.012756 0.005869 35O 1dx2y2 0.005659 -0.005095 0.001783 -0.009708 -0.006936 0.013769 35O 1dxy 0.003452 -0.002460 0.002589 -0.010039 -0.012644 0.016046 35O 2dz2 0.081805 -0.025445 0.033968 -0.105531 -0.100819 0.127698 35O 2dxz -0.042460 -0.031709 -0.051770 0.065657 -0.024270 -0.038925 35O 2dyz 0.018619 -0.030644 -0.002541 -0.003056 -0.076333 0.019434 35O 2dx2y2 -0.118972 0.082919 -0.063234 0.137571 0.078925 -0.088226 35O 2dxy -0.077558 -0.098480 0.077655 0.101314 0.139781 -0.128956 35O 1f0 0.018994 -0.003333 0.005264 -0.008743 -0.009646 -0.005623 35O 1f+1 0.013527 0.026578 0.003272 0.002180 0.011174 -0.000741 35O 1f-1 -0.010933 0.018182 -0.001418 0.016640 0.020603 -0.012245 35O 1f+2 -0.019539 -0.005158 -0.020409 -0.003909 -0.017778 0.014713 35O 1f-2 -0.013587 0.017520 0.007501 0.013661 0.039387 -0.019510 35O 1f+3 -0.026279 0.023100 -0.021829 0.011366 0.004892 0.002984 35O 1f-3 0.012813 -0.004972 0.016927 -0.021811 -0.002730 0.015082 570 571 572 573 574 575 3.90220 3.92213 3.92453 3.93217 3.93808 3.94631 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s 0.018502 0.002227 0.000726 -0.000588 -0.000953 -0.004273 0Rh 2s -0.162769 -0.020071 -0.006961 0.005487 0.007119 0.036046 0Rh 3s 0.012415 0.001209 0.000143 -0.000209 -0.001401 -0.003814 0Rh 4s 0.901653 0.111258 0.038546 -0.030388 -0.039663 -0.200308 0Rh 5s -2.035005 -0.253385 -0.089269 0.069804 0.085494 0.448333 0Rh 6s 1.862475 0.240670 0.090818 -0.068369 -0.059722 -0.387695 0Rh 7s -1.908449 -0.330067 -0.146393 0.110795 -0.109255 0.154372 0Rh 8s 0.248444 0.057878 -0.012302 0.142346 0.075051 0.077509 0Rh 1pz -0.001037 -0.001035 0.002316 -0.000028 0.000013 0.002990 0Rh 1px 0.005108 -0.000447 0.002056 0.000950 -0.001660 -0.002769 0Rh 1py 0.000505 0.000441 -0.001491 -0.003911 -0.001506 0.000063 0Rh 2pz 0.003756 0.004023 -0.008926 0.000163 0.000019 -0.011539 0Rh 2px -0.019415 0.001707 -0.008055 -0.003439 0.006272 0.010484 0Rh 2py -0.002314 -0.001672 0.005640 0.014971 0.005879 -0.000433 0Rh 3pz -0.002692 -0.008658 0.017550 -0.001728 -0.001520 0.022348 0Rh 3px 0.033828 -0.002855 0.018708 0.002232 -0.009676 -0.017009 0Rh 3py 0.013137 0.002790 -0.008799 -0.028008 -0.013151 0.005038 0Rh 4pz -0.019277 0.001836 0.003551 0.007457 0.006243 0.011875 0Rh 4px 0.017847 -0.004480 -0.009697 0.019614 -0.014471 -0.017084 0Rh 4py -0.042685 0.002360 -0.012580 -0.008137 0.004507 -0.019172 0Rh 5pz 0.033172 0.010334 -0.040275 -0.021816 -0.010382 -0.102909 0Rh 5px -0.056164 0.026235 -0.010615 -0.038260 0.055490 0.056480 0Rh 5py 0.105821 -0.009853 0.047270 0.056540 0.014196 0.042641 0Rh 6pz 0.321413 0.003728 -0.069318 0.197319 -0.024281 0.682280 0Rh 6px -0.537641 -0.198425 0.008320 -0.225316 -0.151624 0.117819 0Rh 6py -0.132950 0.112331 -0.049147 0.043155 -0.059801 -0.158489 0Rh 1dz2 -0.011396 -0.041298 -0.001442 0.011639 0.002993 -0.016135 0Rh 1dxz -0.037859 -0.026299 0.007414 -0.010451 -0.004047 0.074572 0Rh 1dyz 0.032125 0.003936 0.017209 0.019453 -0.008849 0.068031 0Rh 1dx2y2 0.057844 -0.028575 0.011664 0.004449 -0.007194 0.026734 0Rh 1dxy -0.076403 -0.009947 0.006149 -0.066691 -0.005758 0.005673 0Rh 2dz2 -0.001724 -0.006245 -0.000143 0.001572 0.000576 -0.002193 0Rh 2dxz -0.006209 -0.003935 0.000919 -0.001281 -0.000223 0.010364 0Rh 2dyz 0.004785 0.001242 0.002922 0.003113 -0.001019 0.009116 0Rh 2dx2y2 0.009438 -0.004375 0.001331 0.000201 -0.001251 0.003156 0Rh 2dxy -0.011022 -0.001075 0.001043 -0.008927 -0.000683 0.000065 0Rh 3dz2 0.049541 0.182466 0.005923 -0.050698 -0.013804 0.070608 0Rh 3dxz 0.168370 0.116053 -0.031889 0.044895 0.016195 -0.326790 0Rh 3dyz -0.141407 -0.020368 -0.077489 -0.086829 0.037742 -0.296423 0Rh 3dx2y2 -0.256670 0.126667 -0.049472 -0.017418 0.032575 -0.114843 0Rh 3dxy 0.334858 0.042105 -0.027735 0.289932 0.024645 -0.021618 0Rh 4dz2 -0.062117 -0.253010 -0.006909 0.070887 0.020037 -0.099450 0Rh 4dxz -0.229581 -0.160378 0.043148 -0.059793 -0.020153 0.453502 0Rh 4dyz 0.196894 0.031648 0.109256 0.121820 -0.051047 0.410112 0Rh 4dx2y2 0.348701 -0.177570 0.064613 0.018463 -0.046709 0.158818 0Rh 4dxy -0.465115 -0.056656 0.039979 -0.396033 -0.033170 0.025899 0Rh 5dz2 -0.023053 0.201342 0.007265 -0.079547 -0.013148 0.089251 0Rh 5dxz 0.107486 0.116697 -0.036592 0.037930 0.013617 -0.365872 0Rh 5dyz -0.182952 -0.004127 -0.069949 -0.106899 0.050653 -0.380973 0Rh 5dx2y2 -0.167724 0.159820 -0.032174 0.021970 0.040776 -0.168481 0Rh 5dxy 0.433335 0.056661 -0.037776 0.318135 0.027469 -0.036807 0Rh 1f0 -0.024068 -0.000690 0.009133 0.003795 0.001478 -0.004860 0Rh 1f+1 0.022865 0.002152 0.005538 0.011039 0.000195 -0.019173 0Rh 1f-1 0.010947 -0.002375 -0.002066 0.001701 -0.001672 0.005202 0Rh 1f+2 0.022335 0.001675 0.002812 0.005310 -0.002928 -0.007335 0Rh 1f-2 0.022459 0.004435 -0.001358 0.008724 -0.001780 0.004422 0Rh 1f+3 0.026183 0.007915 0.000681 0.004893 -0.002007 -0.011301 0Rh 1f-3 0.039385 0.001592 -0.007317 0.004183 -0.002143 -0.003701 1Rh 1s 0.018689 0.002282 -0.000236 0.000792 -0.000966 -0.004167 1Rh 2s -0.164513 -0.020629 0.002487 -0.007230 0.007265 0.035009 1Rh 3s 0.012482 0.001205 0.000091 0.000373 -0.001394 -0.003804 1Rh 4s 0.911308 0.114347 -0.013753 0.040066 -0.040473 -0.194559 1Rh 5s -2.057134 -0.260626 0.032609 -0.091551 0.087456 0.434927 1Rh 6s 1.884094 0.248382 -0.036191 0.087660 -0.062064 -0.373750 1Rh 7s -1.937713 -0.343319 0.063892 -0.124552 -0.105035 0.131661 1Rh 8s 0.219051 0.059065 0.028953 -0.143825 0.068287 0.083837 1Rh 1pz 0.000514 0.000691 0.002405 0.000034 0.000153 -0.003410 1Rh 1px -0.005077 0.000127 0.002172 0.000863 0.001826 0.002408 1Rh 1py -0.001728 -0.000150 -0.001510 -0.003940 0.001387 -0.000184 1Rh 2pz -0.001748 -0.002696 -0.009275 -0.000069 -0.000663 0.013164 1Rh 2px 0.019339 -0.000457 -0.008494 -0.003113 -0.006919 -0.009064 1Rh 2py 0.006990 0.000563 0.005723 0.015084 -0.005424 0.000915 1Rh 3pz -0.001206 0.005993 0.018427 -0.001390 0.002879 -0.025723 1Rh 3px -0.034537 0.000011 0.019390 0.001703 0.011151 0.013597 1Rh 3py -0.021726 -0.000878 -0.009175 -0.028301 0.012318 -0.006282 1Rh 4pz 0.018627 -0.002047 0.002723 0.008132 -0.006446 -0.011522 1Rh 4px -0.014218 0.005759 -0.008404 0.019082 0.013726 0.019377 1Rh 4py 0.039273 -0.000841 -0.011440 -0.007841 -0.004818 0.020320 1Rh 5pz -0.025949 -0.005227 -0.039005 -0.024466 0.008482 0.107517 1Rh 5px 0.050333 -0.024264 -0.017092 -0.036581 -0.055868 -0.056253 1Rh 5py -0.085566 0.003045 0.044127 0.056337 -0.012445 -0.043190 1Rh 6pz -0.306150 0.005342 -0.087867 0.210443 0.022709 -0.669617 1Rh 6px 0.504661 0.197643 0.049786 -0.219826 0.140641 -0.111155 1Rh 6py 0.161714 -0.106408 -0.049127 0.038698 0.063365 0.160992 1Rh 1dz2 -0.012343 -0.041598 -0.003491 -0.011018 0.003375 -0.017091 1Rh 1dxz -0.033918 -0.024398 -0.010131 0.008878 -0.005263 0.078068 1Rh 1dyz 0.025874 0.006805 -0.014671 -0.019603 -0.011210 0.070326 1Rh 1dx2y2 0.056438 -0.026220 -0.013206 -0.004346 -0.008663 0.029146 1Rh 1dxy -0.059569 -0.010188 -0.009335 0.066672 -0.004204 0.006651 1Rh 2dz2 -0.001880 -0.006259 -0.000605 -0.001486 0.000597 -0.002260 1Rh 2dxz -0.005735 -0.003676 -0.001309 0.001037 -0.000391 0.010834 1Rh 2dyz 0.003799 0.001701 -0.002490 -0.003148 -0.001384 0.009475 1Rh 2dx2y2 0.009304 -0.004080 -0.001584 -0.000167 -0.001445 0.003474 1Rh 2dxy -0.008776 -0.001074 -0.001473 0.008909 -0.000498 0.000209 1Rh 3dz2 0.053767 0.183641 0.015882 0.047985 -0.015322 0.074470 1Rh 3dxz 0.151581 0.107783 0.043802 -0.037903 0.021511 -0.342046 1Rh 3dyz -0.113691 -0.033152 0.066040 0.087546 0.048244 -0.306688 1Rh 3dx2y2 -0.250874 0.116558 0.056418 0.016883 0.038945 -0.125308 1Rh 3dxy 0.262081 0.042998 0.041616 -0.289771 0.017992 -0.025943 1Rh 4dz2 -0.068127 -0.254356 -0.023275 -0.067069 0.021839 -0.104101 1Rh 4dxz -0.207689 -0.149083 -0.059382 0.049992 -0.027496 0.474577 1Rh 4dyz 0.158411 0.049449 -0.092992 -0.122872 -0.065846 0.424892 1Rh 4dx2y2 0.341733 -0.164144 -0.074655 -0.017689 -0.055337 0.172991 1Rh 4dxy -0.367295 -0.057531 -0.059193 0.395660 -0.024269 0.032009 1Rh 5dz2 -0.015964 0.202720 0.015313 0.075341 -0.014088 0.091478 1Rh 5dxz 0.095758 0.107335 0.046561 -0.030108 0.020231 -0.384311 1Rh 5dyz -0.150261 -0.015523 0.057010 0.107340 0.062587 -0.394037 1Rh 5dx2y2 -0.167148 0.151752 0.043401 -0.021546 0.046666 -0.177844 1Rh 5dxy 0.360822 0.056459 0.055261 -0.317240 0.020530 -0.041873 1Rh 1f0 0.024242 -0.000492 0.009655 0.003804 -0.001242 0.004289 1Rh 1f+1 -0.022540 -0.002959 0.005235 0.010446 0.000023 0.019175 1Rh 1f-1 -0.009265 0.002576 -0.001997 0.001641 0.001577 -0.004810 1Rh 1f+2 -0.020861 -0.002054 0.002351 0.005077 0.003075 0.007096 1Rh 1f-2 -0.019374 -0.004401 -0.002248 0.008634 0.001932 -0.003657 1Rh 1f+3 -0.025110 -0.007928 -0.000284 0.004497 0.001897 0.011778 1Rh 1f-3 -0.040789 -0.000555 -0.008243 0.003702 0.002188 0.003417 2C 1s -0.002255 0.001307 -0.002258 -0.000307 -0.000614 -0.002474 2C 2s -0.005738 0.004110 -0.006527 0.000231 -0.001576 -0.007950 2C 3s 0.085076 -0.058222 0.071847 -0.093609 -0.022512 0.096656 2C 4s -0.420642 0.204184 -0.195813 0.630371 0.282534 -0.193448 2C 5s -0.177508 0.129136 0.042305 -0.747784 -0.107106 -0.639837 2C 1pz 0.057162 -0.054088 0.077246 -0.000743 0.042225 0.046635 2C 1px -0.004893 -0.026768 0.037105 -0.005808 0.018894 0.028495 2C 1py 0.031319 0.021744 -0.022227 -0.008876 -0.036092 0.038164 2C 2pz -0.344078 0.829366 -1.034179 0.257640 -0.612760 -0.093251 2C 2px -0.061366 0.664108 -0.823817 0.252715 -0.211759 -0.765112 2C 2py 0.191343 -0.999815 1.244088 0.384177 1.220042 -0.186126 2C 3pz -0.088871 -0.071931 0.149726 -0.172935 0.102173 -0.154257 2C 3px -0.061767 -0.098832 0.140443 -0.080386 0.041001 0.049575 2C 3py -0.131291 0.181727 -0.236019 -0.094894 -0.197868 -0.102173 2C 1dz2 0.078760 -0.012640 0.012576 0.026488 0.005876 0.019580 2C 1dxz 0.087256 -0.195359 0.240546 0.004500 0.130955 0.094673 2C 1dyz 0.075686 0.023271 -0.006658 0.037303 0.035276 -0.075915 2C 1dx2y2 0.007151 -0.023009 0.020937 0.026978 0.069463 -0.104743 2C 1dxy -0.054387 0.207909 -0.255534 -0.022194 -0.211483 0.000583 2C 2dz2 -0.154442 0.309595 -0.383629 0.000988 -0.269938 -0.057830 2C 2dxz -0.013152 -0.021621 0.018400 0.011633 0.064356 -0.063045 2C 2dyz -0.061118 -0.032041 0.009411 0.166409 0.154897 -0.221192 2C 2dx2y2 0.011038 0.151182 -0.174350 0.014388 -0.080055 -0.110930 2C 2dxy -0.065698 0.319364 -0.406593 0.017950 -0.261498 -0.094752 2C 1f0 -0.059399 0.244164 -0.299055 -0.041335 -0.255875 0.029452 2C 1f+1 0.073834 0.347274 -0.427315 -0.006619 -0.303773 -0.181445 2C 1f-1 -0.085481 0.071394 -0.104640 -0.033873 -0.114742 0.066292 2C 1f+2 -0.032070 0.261745 -0.335452 -0.044621 -0.270721 0.048057 2C 1f-2 0.072068 -0.012229 0.025644 0.045220 0.082919 -0.159993 2C 1f+3 0.020100 -0.103892 0.125833 0.031148 0.153023 -0.165931 2C 1f-3 0.019094 -0.071441 0.084914 0.014600 0.083102 -0.086283 3C 1s -0.003499 -0.002690 -0.001435 0.003412 -0.001901 -0.001672 3C 2s -0.008850 -0.007854 -0.004894 0.008783 -0.005740 -0.004158 3C 3s 0.102727 0.067705 0.109831 0.047645 0.046675 -0.075673 3C 4s -0.525416 -0.082525 -0.499446 -0.864566 0.030672 0.850905 3C 5s -0.201586 -0.341913 -0.278235 0.641403 -0.250250 0.088779 3C 1pz 0.037861 -0.006858 0.025238 0.025862 -0.017013 -0.005863 3C 1px 0.044450 0.013936 0.014243 -0.007610 0.007884 0.025470 3C 1py -0.055354 -0.081398 -0.049173 0.087749 -0.072933 -0.021163 3C 2pz 0.178536 1.039039 0.113757 -1.487662 1.041738 0.368607 3C 2px -0.672528 0.082907 -0.235895 -0.553114 0.198976 -0.241164 3C 2py 0.337130 0.866223 0.441744 -0.582302 0.808535 -0.372939 3C 3pz -0.104661 -0.214735 -0.130541 0.294243 -0.209391 -0.008047 3C 3px 0.004741 -0.037199 -0.008503 0.127507 -0.064636 0.086779 3C 3py 0.126916 -0.016406 0.092688 0.068948 -0.064033 -0.063331 3C 1dz2 -0.035635 0.104464 0.012109 -0.165049 0.114876 0.007346 3C 1dxz 0.128350 -0.044862 0.030608 0.086874 -0.063667 0.077764 3C 1dyz 0.059038 0.119715 0.035901 -0.089291 0.110437 0.001736 3C 1dx2y2 -0.114587 -0.178771 -0.079063 0.179175 -0.152477 -0.005842 3C 1dxy -0.096762 -0.128646 -0.046131 0.153569 -0.116535 0.003569 3C 2dz2 0.156797 0.434467 0.112820 -0.455335 0.413969 0.034847 3C 2dxz -0.019389 0.004627 -0.007175 0.012954 -0.005637 0.060005 3C 2dyz 0.126336 0.128982 0.149841 -0.031785 0.105755 0.005786 3C 2dx2y2 0.027989 0.093267 0.092812 -0.026012 0.071622 -0.074181 3C 2dxy 0.252231 -0.016615 0.082525 0.142795 -0.048374 0.059276 3C 1f0 0.100653 -0.035671 0.036429 0.090796 -0.052483 0.027052 3C 1f+1 -0.028831 0.127912 -0.001943 -0.184554 0.129770 -0.026012 3C 1f-1 -0.030193 -0.255517 -0.033672 0.319401 -0.246171 -0.099100 3C 1f+2 -0.143463 -0.014132 -0.001927 0.005839 0.001387 -0.149631 3C 1f-2 0.143239 -0.133396 0.016738 0.223669 -0.148859 0.105523 3C 1f+3 -0.032489 -0.253707 -0.045059 0.369245 -0.255213 -0.152680 3C 1f-3 -0.117391 0.261349 0.037126 -0.394790 0.271043 0.036095 4C 1s 0.007758 0.002831 -0.003986 -0.000109 -0.004767 -0.004835 4C 2s 0.013660 0.007126 -0.010888 -0.000493 -0.012120 -0.011613 4C 3s 0.233936 -0.036383 0.104052 0.011585 0.036822 -0.028743 4C 4s -1.383015 -0.114651 -0.025035 0.067960 0.272094 0.624472 4C 5s 0.062748 0.233419 -0.245656 0.527029 0.037038 0.000792 4C 1pz -0.017314 0.046391 -0.058498 -0.075689 -0.084831 -0.046167 4C 1px 0.005918 0.037510 -0.054928 -0.008103 -0.023659 -0.023154 4C 1py 0.016642 -0.063856 0.081228 -0.037406 0.048412 -0.028804 4C 2pz -0.467665 -0.068633 0.030889 0.611531 0.520366 -0.107918 4C 2px -0.430682 -0.161307 0.225042 0.142686 0.211554 0.210518 4C 2py -0.586157 0.561486 -0.746675 0.328859 -0.270164 -0.020200 4C 3pz -0.405765 0.138068 0.039891 -0.411915 0.041948 -0.533495 4C 3px 0.029473 0.050044 0.014456 -0.104515 -0.024928 -0.052303 4C 3py -0.227043 0.110828 0.112804 -0.340191 0.038367 -0.333388 4C 1dz2 -0.012254 0.054371 -0.061663 0.002930 -0.055194 0.072975 4C 1dxz 0.130629 0.047272 -0.034815 0.020953 -0.020744 -0.057921 4C 1dyz -0.082499 -0.063320 0.074330 0.050990 0.094330 0.062305 4C 1dx2y2 -0.139799 0.043164 -0.063423 -0.000453 -0.022243 0.003317 4C 1dxy -0.053967 -0.000699 -0.005253 0.026900 0.031984 -0.005559 4C 2dz2 0.094843 0.260854 -0.323463 -0.219541 -0.447936 0.006530 4C 2dxz 0.054278 0.162548 -0.229162 -0.105941 -0.212574 -0.067115 4C 2dyz 0.117440 -0.266180 0.313093 -0.209174 0.096727 0.091266 4C 2dx2y2 -0.251073 0.325556 -0.418133 0.107520 -0.165726 0.038742 4C 2dxy -0.232883 0.059909 -0.079985 0.018941 0.047392 -0.137989 4C 1f0 0.100163 -0.324450 0.421914 0.059203 0.354970 -0.158212 4C 1f+1 0.205658 -0.209410 0.257108 -0.073413 0.076569 0.152868 4C 1f-1 0.104034 -0.015504 0.029673 0.039727 0.046811 -0.011090 4C 1f+2 -0.060210 -0.233870 0.274386 0.031475 0.250438 0.074199 4C 1f-2 -0.063616 -0.076504 0.109002 -0.014901 0.030730 0.142516 4C 1f+3 -0.042448 -0.001333 -0.014940 -0.025386 -0.012587 0.031080 4C 1f-3 0.170422 0.112543 -0.110916 -0.040873 -0.157767 -0.062599 5C 1s 0.007089 -0.004156 0.003146 0.013165 -0.005688 -0.011490 5C 2s 0.011650 -0.012295 0.006665 0.034101 -0.014844 -0.028323 5C 3s 0.294799 0.128867 0.063090 -0.161673 0.062673 0.090787 5C 4s -1.549431 -0.070303 -0.286113 -0.445770 0.297459 0.559261 5C 5s -0.207490 -0.195953 0.079423 -0.118286 -0.085928 0.042140 5C 1pz 0.025310 0.040667 -0.000511 -0.010874 0.042187 -0.039992 5C 1px -0.026515 -0.001215 0.011681 0.015874 -0.002577 -0.032039 5C 1py -0.013817 0.086361 0.026486 -0.176183 0.091800 0.080579 5C 2pz -0.647878 -0.485960 -0.304791 0.073356 -0.389283 0.292434 5C 2px -0.039918 -0.168907 -0.374374 -0.198691 -0.097496 0.524876 5C 2py 0.902100 -0.138534 0.400036 1.091729 -0.322133 -0.664023 5C 3pz -0.255873 -0.179340 -0.112250 0.099682 -0.074821 0.260546 5C 3px -0.232805 -0.194273 -0.137797 0.053642 -0.034998 0.203246 5C 3py 0.449891 0.305265 0.220836 -0.298521 0.146136 -0.413323 5C 1dz2 0.103436 0.058203 0.034559 -0.018168 0.027253 -0.036737 5C 1dxz 0.028045 0.044862 0.029815 -0.038336 0.034054 -0.037680 5C 1dyz 0.101695 -0.074803 0.024182 0.203865 -0.094463 -0.161715 5C 1dx2y2 -0.158308 0.013422 -0.039236 -0.060521 0.030080 -0.006295 5C 1dxy 0.053150 -0.025090 -0.000226 0.068018 -0.033616 -0.001217 5C 2dz2 0.280458 0.369538 0.170147 -0.352319 0.332864 -0.049464 5C 2dxz 0.148638 0.186781 0.132626 -0.050244 0.132781 -0.152385 5C 2dyz -0.089984 -0.185344 -0.118219 -0.002997 -0.180620 0.165924 5C 2dx2y2 -0.416431 0.173459 -0.228977 -0.682377 0.276511 0.370388 5C 2dxy -0.094377 0.033159 -0.056415 -0.226256 0.067203 0.277181 5C 1f0 0.145586 -0.056815 0.021749 0.174731 -0.071485 -0.102009 5C 1f+1 0.059230 -0.118797 0.058630 0.247124 -0.139451 -0.117502 5C 1f-1 -0.003981 0.332032 0.044540 -0.442748 0.333191 0.113161 5C 1f+2 0.020089 0.003893 0.036297 0.041493 -0.009594 0.057998 5C 1f-2 -0.216611 0.087567 -0.037570 -0.203985 0.131580 -0.023852 5C 1f+3 0.283357 0.124852 0.146213 -0.004573 0.068785 -0.014295 5C 1f-3 -0.105771 -0.211613 -0.090991 0.189002 -0.182426 0.165131 6C 1s 0.005588 -0.003532 -0.003824 -0.012718 -0.005853 -0.011370 6C 2s 0.007780 -0.010857 -0.008697 -0.032975 -0.015237 -0.028057 6C 3s 0.305258 0.134110 -0.041172 0.157848 0.062305 0.092242 6C 4s -1.474543 -0.117391 0.274286 0.422019 0.312262 0.545481 6C 5s -0.103897 -0.199141 -0.094857 0.126656 -0.057729 0.020408 6C 1pz -0.002301 -0.042820 -0.003837 -0.011858 -0.041082 0.038551 6C 1px 0.033689 -0.001532 0.012987 0.014421 0.004777 0.028358 6C 1py -0.004672 -0.086509 0.013014 -0.172783 -0.095955 -0.078574 6C 2pz 0.468879 0.538878 -0.246756 0.073053 0.371085 -0.269619 6C 2px -0.063030 0.231094 -0.368309 -0.197121 0.066384 -0.486938 6C 2py -0.721532 0.064999 0.423021 1.082637 0.370597 0.624218 6C 3pz 0.294263 0.184428 -0.093906 0.099553 0.086375 -0.270854 6C 3px 0.245665 0.207959 -0.115954 0.055712 0.035715 -0.200041 6C 3py -0.501748 -0.318760 0.187791 -0.298795 -0.165244 0.427904 6C 1dz2 0.090200 0.064217 -0.027431 0.019331 0.026673 -0.034961 6C 1dxz 0.027144 0.048510 -0.024438 0.038440 0.034424 -0.037077 6C 1dyz 0.081606 -0.068310 -0.035734 -0.198041 -0.099129 -0.157911 6C 1dx2y2 -0.159776 0.008736 0.037318 0.060753 0.031505 -0.006196 6C 1dxy 0.040708 -0.023730 -0.002757 -0.067092 -0.035176 -0.001805 6C 2dz2 0.219448 0.393012 -0.123321 0.348668 0.332277 -0.043940 6C 2dxz 0.084752 0.208739 -0.113440 0.051779 0.125401 -0.139151 6C 2dyz 0.000593 -0.209643 0.101032 0.004351 -0.168952 0.152139 6C 2dx2y2 -0.332456 0.133113 0.257073 0.676732 0.301060 0.352904 6C 2dxy -0.049320 0.022808 0.063728 0.218860 0.076413 0.269107 6C 1f0 -0.120073 0.052292 0.028856 0.171208 0.074714 0.102346 6C 1f+1 -0.048568 0.108518 0.075878 0.243895 0.146176 0.112233 6C 1f-1 0.040644 -0.339137 0.003669 -0.437794 -0.338398 -0.114714 6C 1f+2 -0.010014 -0.010665 0.035550 0.042887 0.013002 -0.061119 6C 1f-2 0.215453 -0.082277 -0.044772 -0.203514 -0.135355 0.024094 6C 1f+3 -0.248235 -0.145653 0.127622 -0.002857 -0.062718 0.009663 6C 1f-3 0.073407 0.224518 -0.067580 0.189867 0.181523 -0.157735 7C 1s 0.009006 0.002211 0.004007 0.000219 -0.004550 -0.004979 7C 2s 0.016611 0.005462 0.010777 0.000694 -0.011523 -0.012109 7C 3s 0.241144 -0.022503 -0.098037 -0.007569 0.030122 -0.014982 7C 4s -1.478495 -0.111210 0.006673 -0.090986 0.276316 0.590222 7C 5s -0.010195 0.194869 0.265343 -0.536111 0.048607 -0.049991 7C 1pz 0.004256 -0.039811 -0.058926 -0.076357 0.085376 0.043107 7C 1px -0.002194 -0.030936 -0.058449 -0.008243 0.022459 0.025873 7C 1py -0.026279 0.054779 0.089029 -0.037283 -0.051399 0.029289 7C 2pz 0.702328 0.071740 0.037886 0.625983 -0.546528 0.194057 7C 2px 0.490322 0.133338 0.244703 0.156614 -0.215049 -0.188262 7C 2py 0.765167 -0.474295 -0.796607 0.339998 0.270232 0.073715 7C 3pz 0.391101 -0.148877 0.050990 -0.413605 -0.037958 0.510274 7C 3px -0.040095 -0.051840 0.011678 -0.101580 0.025307 0.050679 7C 3py 0.206100 -0.126892 0.116209 -0.340570 -0.038741 0.321480 7C 1dz2 -0.013297 0.048739 0.069162 -0.002882 -0.060011 0.078627 7C 1dxz 0.130451 0.043434 0.042652 -0.018730 -0.022321 -0.057385 7C 1dyz -0.098618 -0.053778 -0.076926 -0.052415 0.093522 0.060071 7C 1dx2y2 -0.155116 0.037004 0.066317 -0.001686 -0.022898 -0.001030 7C 1dxy -0.068868 -0.000133 0.007306 -0.028175 0.031738 -0.009871 7C 2dz2 0.184906 0.225800 0.344436 0.227982 -0.464034 0.041649 7C 2dxz 0.076298 0.137767 0.246214 0.106117 -0.214077 -0.068346 7C 2dyz 0.198716 -0.226429 -0.337154 0.210071 0.096657 0.110420 7C 2dx2y2 -0.342564 0.277817 0.449720 -0.111543 -0.168228 0.017210 7C 2dxy -0.277165 0.051254 0.082658 -0.021987 0.052926 -0.160818 7C 1f0 -0.107505 0.278000 0.451760 0.059203 -0.365990 0.169846 7C 1f+1 -0.259327 0.178768 0.273659 -0.075511 -0.074222 -0.174948 7C 1f-1 -0.096051 0.014936 0.030673 0.039992 -0.051111 0.014290 7C 1f+2 0.071947 0.202975 0.297176 0.035182 -0.258275 -0.067235 7C 1f-2 0.053406 0.065721 0.121778 -0.014565 -0.030358 -0.154848 7C 1f+3 0.038571 0.005194 -0.010886 -0.027179 0.012851 -0.038499 7C 1f-3 -0.199728 -0.101031 -0.123909 -0.046665 0.164704 0.048406 8C 1s -0.003764 -0.002809 0.000996 -0.003286 -0.001912 -0.001675 8C 2s -0.009343 -0.008328 0.003652 -0.008391 -0.005674 -0.004272 8C 3s 0.077548 0.083968 -0.101821 -0.050495 0.038601 -0.066877 8C 4s -0.298078 -0.171603 0.506132 0.858450 0.082563 0.799515 8C 5s -0.336452 -0.350372 0.231537 -0.633691 -0.284898 0.114044 8C 1pz -0.042074 0.004274 0.025167 0.026733 0.018277 0.004957 8C 1px -0.044768 -0.015409 0.011106 -0.006451 -0.007418 -0.025767 8C 1py 0.053838 0.086873 -0.037510 0.084672 0.072010 0.023257 8C 2pz -0.101287 -1.051387 -0.020829 -1.475165 -1.067839 -0.361814 8C 2px 0.597080 -0.041649 -0.238516 -0.564541 -0.221142 0.246967 8C 2py -0.127651 -0.935932 0.342093 -0.572889 -0.787338 0.335892 8C 3pz 0.092350 0.229062 -0.102397 0.290932 0.213593 0.009607 8C 3px 0.012351 0.034312 -0.003254 0.129373 0.071302 -0.091026 8C 3py -0.162383 0.010156 0.092759 0.068941 0.059479 0.068156 8C 1dz2 -0.043580 0.106428 -0.000437 0.163369 0.116600 0.009891 8C 1dxz 0.131708 -0.045093 -0.033088 -0.094425 -0.069667 0.075786 8C 1dyz 0.026083 0.124705 -0.022276 0.085359 0.108403 0.003080 8C 1dx2y2 -0.096542 -0.186621 0.055210 -0.174794 -0.151710 -0.008515 8C 1dxy -0.087438 -0.136213 0.029682 -0.154134 -0.120215 0.002290 8C 2dz2 0.096071 0.451091 -0.058633 0.448476 0.415105 0.041173 8C 2dxz -0.027333 -0.000750 0.008288 -0.019366 -0.011371 0.057749 8C 2dyz 0.099962 0.148258 -0.131793 0.022069 0.093187 0.017843 8C 2dx2y2 0.011764 0.106570 -0.081003 0.026600 0.068907 -0.068393 8C 2dxy 0.236852 -0.007306 -0.079854 -0.149839 -0.056954 0.060155 8C 1f0 -0.105328 0.032343 0.037176 0.092253 0.055172 -0.025737 8C 1f+1 0.039305 -0.129177 -0.016305 -0.186199 -0.134516 0.025698 8C 1f-1 -0.004848 0.260558 -0.001757 0.315113 0.249353 0.098375 8C 1f+2 0.139456 0.012153 0.004694 0.000321 -0.002608 0.145240 8C 1f-2 -0.150717 0.134270 0.028065 0.229079 0.155609 -0.102117 8C 1f+3 0.024375 0.260025 -0.011023 0.363964 0.260707 0.155580 8C 1f-3 0.122766 -0.262226 0.006435 -0.385600 -0.272211 -0.038400 9C 1s -0.002418 0.001021 0.002203 0.000244 -0.000467 -0.002816 9C 2s -0.006590 0.003265 0.006430 -0.000411 -0.001135 -0.009043 9C 3s 0.128269 -0.048868 -0.074766 0.096140 -0.027325 0.115578 9C 4s -0.679570 0.178560 0.220501 -0.641373 0.292981 -0.267914 9C 5s -0.108597 0.141295 -0.056718 0.755589 -0.105049 -0.607157 9C 1pz -0.067145 0.044531 0.078852 -0.001568 -0.039997 -0.053403 9C 1px 0.001883 0.022158 0.039189 -0.005663 -0.018225 -0.031023 9C 1py -0.038519 -0.019749 -0.026301 -0.010120 0.039321 -0.044223 9C 2pz 0.487142 -0.709890 -1.106726 0.256727 0.628181 0.121447 9C 2px 0.219259 -0.568634 -0.896254 0.255182 0.199689 0.851986 9C 2py -0.104941 0.858738 1.326285 0.399878 -1.262746 0.250234 9C 3pz 0.084078 0.053685 0.162578 -0.171669 -0.108382 0.154475 9C 3px 0.035855 0.082666 0.154485 -0.081920 -0.038902 -0.067920 9C 3py 0.140871 -0.156887 -0.244866 -0.098797 0.204553 0.094876 9C 1dz2 0.077004 -0.008444 -0.007931 -0.025802 0.002528 0.022204 9C 1dxz 0.113063 -0.166939 -0.256640 -0.003498 0.129923 0.105797 9C 1dyz 0.066464 0.017255 0.005201 -0.037220 0.041614 -0.081266 9C 1dx2y2 -0.007921 -0.027978 -0.033593 -0.028781 0.082682 -0.115695 9C 1dxy -0.055224 0.179019 0.273493 0.022607 -0.216514 0.001214 9C 2dz2 -0.178997 0.265647 0.409195 -0.000045 -0.274979 -0.067630 9C 2dxz -0.035154 -0.020681 -0.021731 -0.010596 0.067383 -0.066641 9C 2dyz -0.125925 -0.037852 -0.023123 -0.172389 0.174993 -0.260219 9C 2dx2y2 0.007224 0.121123 0.177695 -0.014228 -0.069715 -0.120144 9C 2dxy -0.099891 0.272971 0.436128 -0.018570 -0.262658 -0.109971 9C 1f0 0.057070 -0.207371 -0.315914 -0.042664 0.259871 -0.037129 9C 1f+1 -0.059185 -0.297483 -0.458270 -0.008496 0.305420 0.189893 9C 1f-1 0.086417 -0.064934 -0.115239 -0.033128 0.122625 -0.068316 9C 1f+2 0.032581 -0.227672 -0.365777 -0.046423 0.282883 -0.054744 9C 1f-2 -0.055029 0.007287 0.018643 0.042585 -0.082568 0.170749 9C 1f+3 -0.012645 0.094523 0.142709 0.031390 -0.164819 0.178432 9C 1f-3 -0.019972 0.066831 0.099148 0.015464 -0.093728 0.098557 10H 1s -0.034799 -0.020810 0.013389 -0.037799 -0.020503 0.072938 10H 2s 0.062455 -0.239446 0.288039 -0.119458 -0.001263 0.414185 10H 3s -0.026602 0.084091 -0.117671 0.093693 0.012419 -0.092317 10H 1pz 0.059302 -0.029376 0.035340 -0.045673 -0.047941 0.074135 10H 1px -0.003249 0.115930 -0.135995 0.040872 -0.014020 -0.213012 10H 1py 0.028129 -0.060176 0.074620 -0.015256 0.038977 -0.007595 11H 1s -0.013678 0.129025 -0.175115 0.000613 -0.125949 -0.060218 11H 2s -0.176684 0.876134 -1.077286 0.010418 -0.705948 -0.284253 11H 3s 0.013299 -0.347420 0.432937 0.009910 0.293664 0.128512 11H 1pz -0.095757 0.257007 -0.319415 -0.019959 -0.209900 -0.088144 11H 1px -0.039429 0.271010 -0.331853 0.013357 -0.207058 -0.119233 11H 1py 0.002221 -0.213642 0.263804 -0.005555 0.185598 0.031360 12H 1s -0.006008 -0.063487 0.074897 0.015793 0.093181 -0.090388 12H 2s 0.252288 -0.550454 0.684557 0.158220 0.694734 -0.251969 12H 3s -0.149145 0.194939 -0.260295 -0.003340 -0.250096 0.098915 12H 1pz -0.032478 0.096682 -0.127406 -0.043042 -0.133348 0.051651 12H 1px 0.068025 -0.081628 0.097677 0.039005 0.115130 -0.077460 12H 1py 0.113249 -0.246424 0.303782 0.054945 0.296020 -0.095837 13H 1s -0.001099 0.004150 0.017024 0.016468 -0.000690 0.032167 13H 2s 0.405334 0.248925 0.181388 -0.106993 0.189198 0.188766 13H 3s -0.172529 -0.078750 -0.072309 -0.027421 -0.051961 -0.063629 13H 1pz 0.132992 0.113113 0.063579 -0.074690 0.091202 0.041565 13H 1px -0.157037 -0.080633 -0.067806 0.048542 -0.056034 -0.111780 13H 1py -0.096096 -0.001052 -0.040442 -0.081455 0.016784 0.044182 14H 1s -0.070983 0.040500 -0.022593 -0.082523 0.053632 -0.058614 14H 2s -0.144327 0.490837 0.060343 -0.705623 0.539033 -0.184751 14H 3s 0.002567 -0.166357 -0.033323 0.220347 -0.191922 0.102688 14H 1pz -0.021339 0.132650 0.021346 -0.171479 0.140435 -0.031449 14H 1px -0.053449 0.196030 0.023781 -0.271974 0.208625 -0.106602 14H 1py -0.061827 0.091365 0.001134 -0.173149 0.099166 0.017735 15H 1s -0.017776 -0.135011 -0.032190 0.201140 -0.144041 -0.064509 15H 2s -0.280029 -0.828825 -0.208536 0.920189 -0.777329 -0.094323 15H 3s 0.044311 0.322624 0.085931 -0.426751 0.321448 0.080945 15H 1pz 0.031523 0.254398 0.051064 -0.307671 0.248342 0.039428 15H 1px -0.063467 -0.069145 -0.029599 0.059817 -0.059229 -0.030977 15H 1py 0.142661 0.307692 0.094331 -0.330085 0.285550 0.018231 16H 1s 0.162937 0.023596 0.180059 -0.064407 -0.023070 0.375633 16H 2s -0.190881 -0.065541 0.299019 -0.189203 -0.045858 0.672092 16H 3s -0.018694 -0.011719 -0.075074 0.001414 -0.004328 -0.124025 16H 1pz 0.081027 -0.003898 0.230600 -0.114809 -0.031494 0.481122 16H 1px 0.027004 0.005618 -0.028505 0.015716 0.007043 -0.092689 16H 1py 0.087756 0.012119 0.120906 -0.039938 -0.016758 0.263198 17H 1s 0.031994 0.018767 -0.176233 0.021724 0.021917 -0.410427 17H 2s -0.386324 -0.067466 -0.284497 -0.035145 0.039826 -0.648104 17H 3s 0.040593 0.013292 0.088164 -0.004930 -0.009011 0.098643 17H 1pz 0.029401 0.007395 0.123832 0.013731 -0.014179 0.279138 17H 1px 0.089340 0.005402 0.160686 0.005230 -0.022906 0.378746 17H 1py -0.009141 0.006979 -0.154470 0.018461 0.020134 -0.347457 18H 1s 0.027268 -0.004781 0.175247 -0.016522 0.035002 -0.435028 18H 2s -0.378155 -0.107299 0.260968 0.039014 0.065064 -0.689265 18H 3s 0.047334 0.023939 -0.085555 0.003632 -0.013844 0.107461 18H 1pz -0.027417 -0.024696 0.123313 0.016521 0.025120 -0.306016 18H 1px -0.086859 -0.027829 0.154541 0.008613 0.036164 -0.402877 18H 1py 0.011731 0.013229 -0.147966 0.014921 -0.030604 0.358532 19H 1s 0.182177 0.046938 -0.171092 0.060583 -0.035548 0.400190 19H 2s -0.145980 -0.024750 -0.307000 0.177931 -0.062897 0.712621 19H 3s -0.023343 -0.021594 0.072204 0.001382 0.000878 -0.133662 19H 1pz -0.111042 -0.026156 0.223582 -0.107420 0.045240 -0.505549 19H 1px -0.022145 -0.001107 -0.030747 0.015431 -0.009682 0.101682 19H 1py -0.102320 -0.028801 0.120480 -0.039505 0.026323 -0.290654 20H 1s -0.013628 -0.138608 0.014025 -0.197216 -0.145488 -0.066474 20H 2s -0.167127 -0.858261 0.105019 -0.906898 -0.780823 -0.103009 20H 3s 0.010032 0.332899 -0.045819 0.419765 0.324349 0.083417 20H 1pz 0.003282 -0.262523 0.020360 -0.303989 -0.250446 -0.042441 20H 1px 0.052714 0.075508 -0.019995 0.060816 0.061211 0.031684 20H 1py -0.100615 -0.319182 0.055020 -0.324454 -0.286268 -0.020905 21H 1s -0.074730 0.038883 0.024702 0.084811 0.055909 -0.056888 21H 2s -0.185504 0.501108 -0.004613 0.712240 0.553748 -0.176854 21H 3s 0.029573 -0.172992 0.013924 -0.224627 -0.195778 0.098930 21H 1pz 0.038108 -0.137726 0.005761 -0.174459 -0.144099 0.029165 21H 1px 0.070084 -0.199060 0.002044 -0.274001 -0.213259 0.102720 21H 1py 0.054349 -0.091274 -0.009456 -0.172421 -0.103120 -0.018057 22H 1s -0.009020 0.007006 -0.016709 -0.017872 -0.003072 0.033226 22H 2s 0.341826 0.272142 -0.145107 0.092117 0.178823 0.191400 22H 3s -0.131961 -0.090359 0.061152 0.032705 -0.044544 -0.067873 22H 1pz -0.108378 -0.121301 0.048416 -0.070022 -0.088092 -0.042834 22H 1px 0.143389 0.088554 -0.054361 0.042849 0.053725 0.111628 22H 1py 0.077283 0.008257 -0.041344 -0.081381 -0.020244 -0.042023 23H 1s -0.009390 -0.057353 -0.083999 -0.016536 0.100243 -0.100461 23H 2s 0.233420 -0.480712 -0.738115 -0.165662 0.728973 -0.288678 23H 3s -0.152231 0.168514 0.278709 0.006103 -0.264892 0.111522 23H 1pz 0.028014 -0.084492 -0.137015 -0.043049 0.138924 -0.058551 23H 1px -0.061191 0.069261 0.100679 0.039153 -0.117717 0.085517 23H 1py -0.106740 0.215687 0.328856 0.058305 -0.311774 0.110697 24H 1s -0.021687 0.109010 0.185248 -0.000600 -0.126314 -0.065383 24H 2s -0.233167 0.749231 1.152449 -0.008898 -0.713952 -0.309824 24H 3s 0.032307 -0.296701 -0.462331 -0.011995 0.296290 0.138194 24H 1pz 0.112135 -0.217308 -0.336918 -0.020455 0.210225 0.094670 24H 1px 0.060609 -0.235397 -0.360961 0.012839 0.212335 0.130539 24H 1py -0.014210 0.181267 0.280590 -0.004755 -0.187676 -0.031090 25H 1s -0.027141 -0.018782 -0.017236 0.037738 -0.022036 0.080144 25H 2s 0.140388 -0.197400 -0.303950 0.123817 -0.021883 0.463494 25H 3s -0.068735 0.067235 0.124593 -0.096587 0.020412 -0.115320 25H 1pz -0.087834 0.023472 0.037723 -0.048196 0.053831 -0.089407 25H 1px 0.034148 -0.097052 -0.144310 0.041685 0.006309 0.232885 25H 1py -0.039952 0.050679 0.079260 -0.015831 -0.039102 0.007338 26O 1s -0.005334 0.003232 -0.002437 0.004357 0.000548 -0.007043 26O 2s -0.014327 0.010480 -0.007163 0.013441 0.000367 -0.023310 26O 3s 0.004047 -0.067011 0.025801 -0.072844 0.029845 0.189930 26O 4s 0.271247 0.042445 0.089482 -0.032467 -0.155546 -0.400797 26O 5s 1.246705 -0.217441 0.104436 -0.103466 -0.173360 0.489614 26O 1pz 0.038141 -0.003958 -0.017444 0.000626 -0.008831 -0.011286 26O 1px -0.015618 0.012366 -0.034392 0.031342 -0.018629 -0.000999 26O 1py 0.001073 0.015585 -0.007998 0.009855 0.024126 -0.021324 26O 2pz -0.160739 -0.006524 0.055991 0.028367 0.058154 0.003141 26O 2px -0.438293 0.009195 -0.009557 0.029289 0.143477 0.057601 26O 2py -0.206703 0.009946 -0.037220 0.033640 -0.028538 0.078141 26O 3pz 0.359555 0.078678 -0.095323 0.135729 -0.048190 0.063996 26O 3px -0.138920 0.118275 -0.086711 0.227702 0.057503 -0.002820 26O 3py 0.249940 -0.010511 -0.016932 0.157330 0.087799 0.171260 26O 1dz2 0.011593 -0.004130 0.012879 0.001837 0.008959 -0.009392 26O 1dxz 0.006368 0.002120 0.002030 0.006523 0.009912 -0.022086 26O 1dyz 0.016884 0.006663 -0.010312 0.001905 -0.001517 -0.015323 26O 1dx2y2 -0.010484 -0.002677 0.006402 0.002263 0.007595 0.004967 26O 1dxy -0.005597 0.004298 -0.003642 0.003479 0.004438 -0.016481 26O 2dz2 -0.095053 0.024674 -0.007945 0.030037 0.033554 0.012894 26O 2dxz 0.089197 0.004056 0.011200 -0.015713 -0.024547 0.071724 26O 2dyz 0.065543 -0.007423 -0.006732 0.002819 -0.004086 0.037343 26O 2dx2y2 0.146931 0.026120 0.002189 -0.007643 -0.038625 -0.027011 26O 2dxy 0.111576 -0.006859 0.016736 -0.027578 -0.020192 -0.050297 26O 1f0 0.004020 -0.024379 0.025176 0.006327 0.022620 -0.020370 26O 1f+1 -0.003059 0.013708 -0.018457 -0.001914 -0.011364 -0.012991 26O 1f-1 -0.011772 0.003160 -0.007044 0.007846 -0.002914 0.010733 26O 1f+2 0.005551 -0.010386 0.010452 -0.005888 0.000030 0.017310 26O 1f-2 -0.004715 -0.022015 0.021864 0.010062 0.024035 0.016252 26O 1f+3 -0.002951 -0.015322 0.017623 -0.000432 0.012290 0.017217 26O 1f-3 0.023520 -0.017439 0.024224 -0.005528 0.010777 0.006627 27O 1s -0.006899 -0.004926 -0.001398 0.000615 -0.002068 0.001553 27O 2s -0.019045 -0.016271 -0.002869 0.005357 -0.007432 0.001894 27O 3s 0.041803 0.111299 -0.045326 -0.117813 0.065178 0.069633 27O 4s 0.167476 -0.157362 0.325354 0.482341 -0.128878 -0.402333 27O 5s 1.385994 0.518153 0.439441 0.122957 0.089321 -0.538852 27O 1pz -0.054550 -0.000997 -0.007301 -0.032653 0.029927 -0.026751 27O 1px -0.031149 -0.024980 -0.011581 0.011156 -0.012404 0.001457 27O 1py 0.057462 -0.010951 0.016151 -0.010147 0.008017 0.053519 27O 2pz 0.142330 -0.016983 0.010867 0.112702 -0.077637 0.021614 27O 2px -0.384989 -0.041340 -0.252562 -0.245281 0.035428 0.290289 27O 2py 0.004994 0.021940 0.050402 0.110843 -0.048597 -0.164052 27O 3pz 0.122399 0.092892 0.021023 -0.099829 0.090076 -0.184770 27O 3px -0.258740 -0.071537 -0.160181 -0.197122 0.058131 0.205154 27O 3py -0.055124 -0.015032 0.060304 0.056115 0.012514 0.031123 27O 1dz2 0.013545 -0.001847 0.005479 0.016016 -0.007766 -0.007541 27O 1dxz -0.001340 -0.001984 -0.000777 0.003305 -0.004048 -0.007137 27O 1dyz -0.009773 0.000632 -0.004581 -0.000259 0.004891 -0.000498 27O 1dx2y2 -0.017841 -0.006784 -0.011866 0.005961 -0.006522 0.000708 27O 1dxy 0.009579 0.001147 0.006900 0.007451 -0.002015 0.011570 27O 2dz2 -0.078886 0.006495 -0.045047 -0.044993 0.009036 0.055445 27O 2dxz -0.051165 0.031825 0.001722 -0.051151 0.016833 0.049907 27O 2dyz 0.008172 -0.020662 0.003216 0.037126 -0.007359 -0.012214 27O 2dx2y2 0.142353 0.026407 0.069058 0.090703 -0.021875 -0.118045 27O 2dxy -0.116673 -0.018133 -0.054540 -0.054174 0.007583 0.059217 27O 1f0 0.011257 -0.019624 -0.001341 0.027206 -0.020033 -0.013320 27O 1f+1 0.019349 0.028435 0.011149 -0.027192 0.025606 -0.005062 27O 1f-1 -0.006526 0.025083 0.001836 -0.028416 0.019702 0.004484 27O 1f+2 0.015961 0.002729 0.007869 -0.003826 -0.000641 0.015190 27O 1f-2 0.039155 0.000741 0.004594 0.012823 -0.006963 0.003894 27O 1f+3 -0.021810 -0.007519 0.002961 0.009787 -0.006932 -0.004210 27O 1f-3 0.015766 -0.000172 0.004326 -0.004357 0.001349 0.023999 28O 1s -0.004327 0.003309 -0.003634 0.004375 0.000737 -0.000774 28O 2s -0.011269 0.011226 -0.012277 0.013917 0.001650 -0.002666 28O 3s 0.016692 -0.081322 0.081024 -0.086080 0.009442 0.026789 28O 4s 0.022621 0.106232 -0.073154 0.026202 -0.089324 -0.063427 28O 5s 1.013424 -0.232015 0.186085 -0.132971 -0.152417 0.045444 28O 1pz -0.051630 -0.010782 -0.015988 0.016605 -0.005621 0.034808 28O 1px -0.005723 -0.028082 0.035704 -0.030434 -0.006973 0.033281 28O 1py -0.017924 0.002496 0.008880 -0.012322 0.010719 0.053250 28O 2pz -0.078692 0.028874 -0.017968 -0.005685 0.058314 0.018515 28O 2px 0.239077 0.025811 -0.011926 -0.007061 -0.047541 -0.064794 28O 2py -0.009241 0.006257 -0.032849 0.027565 -0.021239 -0.086103 28O 3pz 0.064892 0.043431 -0.136283 0.197213 0.038034 0.142136 28O 3px 0.209588 -0.067183 0.077525 -0.125264 -0.099595 0.061751 28O 3py 0.030717 -0.011779 -0.038420 0.082970 0.046637 -0.017284 28O 1dz2 0.004568 -0.001725 0.009647 -0.002442 0.002792 0.014111 28O 1dxz 0.020706 -0.002935 0.009262 0.001870 0.002284 -0.007901 28O 1dyz 0.005171 0.000498 0.001810 0.000686 -0.002036 -0.001133 28O 1dx2y2 -0.003107 0.000926 0.000996 0.002405 0.006476 0.000386 28O 1dxy 0.001072 0.003144 -0.002513 0.004897 0.000921 -0.014186 28O 2dz2 0.010904 0.033074 0.000020 0.029008 0.011881 -0.044219 28O 2dxz -0.111839 0.004890 -0.012904 0.008173 0.022238 0.044327 28O 2dyz 0.052152 -0.013268 -0.000015 0.010398 0.006939 0.008676 28O 2dx2y2 0.098662 0.020316 -0.001584 -0.026317 -0.039942 0.034835 28O 2dxy -0.059122 0.003837 0.004973 0.011460 0.008094 -0.031540 28O 1f0 -0.007060 0.014078 -0.023135 -0.000495 -0.023699 0.012187 28O 1f+1 -0.002623 -0.014332 0.011432 -0.008322 -0.001392 0.017523 28O 1f-1 -0.034270 -0.014423 0.007592 0.007551 0.013854 0.019853 28O 1f+2 0.014178 -0.005354 0.004728 0.007935 0.008455 -0.018400 28O 1f-2 -0.001156 -0.001858 -0.001532 -0.004700 -0.004217 0.008323 28O 1f+3 -0.001788 0.037407 -0.047476 -0.005082 -0.037198 0.010945 28O 1f-3 -0.017356 -0.005453 0.008103 -0.002066 0.003614 -0.000156 29O 1s -0.015872 -0.002817 -0.000105 -0.000822 -0.000223 0.001527 29O 2s -0.057299 -0.010106 -0.000514 -0.001555 -0.000836 0.005759 29O 3s 0.507729 0.087953 0.007095 -0.016318 0.007704 -0.056986 29O 4s -1.147930 -0.196758 -0.021968 0.067483 -0.024461 0.128592 29O 5s 1.517718 0.294474 0.012438 0.175731 0.068474 -0.080078 29O 1pz -0.044827 -0.002205 -0.135187 0.040573 0.016482 -0.291790 29O 1px -0.019922 -0.000456 -0.048009 -0.013480 0.007802 -0.108965 29O 1py 0.021070 -0.001487 0.013820 0.032194 -0.001608 0.033048 29O 2pz 0.188103 0.003720 0.591970 -0.170728 -0.076339 1.284401 29O 2px 0.137973 0.013513 0.214659 0.037302 -0.030223 0.476458 29O 2py -0.030653 0.002555 -0.056352 -0.103682 0.005509 -0.142988 29O 3pz 0.089428 0.010431 -0.026674 -0.031554 0.003166 -0.042244 29O 3px -0.422275 -0.067597 -0.037343 -0.028030 -0.016392 0.026566 29O 3py -0.266403 -0.067969 0.022712 -0.039373 -0.001964 0.023379 29O 1dz2 -0.000193 -0.003300 0.003487 -0.003564 -0.000790 0.012070 29O 1dxz -0.004858 -0.002105 -0.004342 0.005696 0.000538 -0.012394 29O 1dyz -0.004540 0.000297 0.006437 -0.001632 -0.000240 0.007283 29O 1dx2y2 0.017015 0.000773 0.001111 -0.003956 0.000728 -0.008516 29O 1dxy 0.017273 0.000833 0.000787 0.008603 -0.001279 0.004778 29O 2dz2 -0.082274 -0.013391 -0.143482 0.057663 0.018594 -0.294047 29O 2dxz 0.025929 -0.004038 0.128216 0.002769 -0.015925 0.283758 29O 2dyz -0.100786 -0.000783 -0.236718 0.062371 0.032968 -0.531405 29O 2dx2y2 0.042551 0.000943 0.043193 -0.033928 -0.003825 0.064087 29O 2dxy 0.018541 0.002094 -0.103853 0.014806 0.011549 -0.241182 29O 1f0 -0.026682 -0.002744 -0.015038 0.004841 0.001866 -0.030660 29O 1f+1 0.004963 0.000313 -0.016240 0.002645 0.002583 -0.033457 29O 1f-1 -0.018632 -0.004747 -0.027668 0.012907 0.003711 -0.056804 29O 1f+2 0.013967 0.000559 0.009380 0.002849 -0.000316 0.018413 29O 1f-2 -0.000256 -0.001049 0.045822 -0.012591 -0.004887 0.098174 29O 1f+3 -0.010125 0.000885 -0.011844 0.003956 0.002194 -0.022702 29O 1f-3 -0.017269 0.001988 -0.019756 -0.008257 0.003432 -0.051003 30O 1s -0.006131 -0.003910 0.001883 0.000254 -0.002575 0.006063 30O 2s -0.017488 -0.013010 0.008458 0.003284 -0.009269 0.017288 30O 3s 0.027289 0.092544 -0.119839 -0.088684 0.086548 -0.072123 30O 4s 0.235295 -0.164024 0.376962 0.391412 -0.214842 -0.008887 30O 5s 1.309949 0.462952 0.033767 0.071840 0.146058 -0.885718 30O 1pz 0.010165 -0.014175 -0.004246 -0.009887 0.012679 0.008727 30O 1px 0.075761 0.019434 -0.003678 -0.011747 0.018116 0.015720 30O 1py -0.010226 -0.011983 0.011368 0.003337 0.011969 -0.027073 30O 2pz -0.323421 -0.015774 -0.062707 -0.075098 -0.012576 0.092667 30O 2px 0.187675 0.004277 0.133234 0.166779 -0.065883 -0.159403 30O 2py 0.305406 0.042336 0.026565 0.112713 -0.059653 -0.065746 30O 3pz 0.029211 0.078089 -0.039810 -0.173630 0.055402 0.093919 30O 3px 0.359280 0.081366 -0.008366 0.083334 0.004211 -0.192146 30O 3py -0.218884 -0.084504 0.066912 0.127728 -0.010105 0.084001 30O 1dz2 0.000293 0.000764 0.003429 0.005476 -0.005127 -0.000636 30O 1dxz 0.008244 0.000882 0.004310 0.008991 -0.003398 -0.001414 30O 1dyz -0.012929 0.000439 0.006408 0.000850 0.004171 -0.021477 30O 1dx2y2 -0.023535 -0.004084 -0.004718 0.000437 -0.003797 -0.010873 30O 1dxy -0.014447 -0.004327 -0.002971 0.000530 -0.001768 0.010846 30O 2dz2 0.009761 0.034784 0.003662 -0.031650 0.012864 -0.009894 30O 2dxz -0.172996 0.002255 -0.050436 -0.072899 0.020623 0.075566 30O 2dyz -0.130964 -0.031227 -0.003360 -0.001521 -0.001175 0.041528 30O 2dx2y2 0.015625 0.011881 0.038266 0.038219 -0.015413 0.007491 30O 2dxy 0.082966 0.000169 0.036979 0.058390 -0.019956 -0.048050 30O 1f0 0.019286 0.028514 0.004195 -0.028934 0.023691 0.002048 30O 1f+1 0.000662 -0.011244 -0.003272 0.011755 -0.008467 0.003766 30O 1f-1 0.011634 -0.000363 0.004173 0.017625 -0.009668 -0.003537 30O 1f+2 0.024300 -0.022372 0.001372 0.042075 -0.026505 -0.013324 30O 1f-2 -0.013144 0.006973 -0.005418 -0.012269 0.006838 0.002381 30O 1f+3 -0.001120 0.014259 0.004043 -0.013550 0.012201 0.012497 30O 1f-3 -0.020283 0.011395 0.003285 -0.021858 0.014195 -0.006411 31O 1s -0.005255 -0.003776 -0.002210 -0.000199 -0.002440 0.006037 31O 2s -0.015016 -0.012233 -0.009546 -0.003024 -0.008941 0.017363 31O 3s 0.023584 0.078367 0.126940 0.085129 0.086931 -0.075963 31O 4s 0.177627 -0.113018 -0.388476 -0.381108 -0.227275 0.010147 31O 5s 1.248665 0.469449 0.012869 -0.063116 0.144578 -0.893987 31O 1pz -0.015457 0.014805 -0.003409 -0.010022 -0.013310 -0.008229 31O 1px -0.066907 -0.019269 -0.007396 -0.010217 -0.016834 -0.016274 31O 1py 0.015421 0.010380 0.013396 0.003402 -0.010628 0.025559 31O 2pz 0.305786 0.024915 -0.057006 -0.071871 0.010541 -0.091393 31O 2px -0.167798 -0.023276 0.133369 0.160200 0.069639 0.154563 31O 2py -0.286993 -0.047207 0.019441 0.108348 0.058901 0.067526 31O 3pz -0.078513 -0.068240 -0.053396 -0.172934 -0.064137 -0.088535 31O 3px -0.327854 -0.083297 -0.015554 0.081876 0.000120 0.190368 31O 3py 0.267679 0.069634 0.082477 0.132637 0.023259 -0.099466 31O 1dz2 0.000531 0.001357 -0.003425 -0.005383 -0.005375 -0.000116 31O 1dxz 0.007487 0.001495 -0.004260 -0.008978 -0.003613 -0.001264 31O 1dyz -0.014178 0.001355 -0.006956 -0.000703 0.003805 -0.020904 31O 1dx2y2 -0.021355 -0.004726 0.003658 -0.000275 -0.003703 -0.010579 31O 1dxy -0.013517 -0.004662 0.002459 -0.000798 -0.001901 0.010923 31O 2dz2 0.014104 0.034429 0.001070 0.031305 0.012948 -0.009273 31O 2dxz -0.160423 -0.005069 0.048853 0.070659 0.023221 0.073826 31O 2dyz -0.129654 -0.031143 -0.001804 0.000239 -0.002122 0.042074 31O 2dx2y2 0.010167 0.018144 -0.036922 -0.037976 -0.017726 0.010140 31O 2dxy 0.071889 0.006346 -0.037084 -0.056578 -0.021777 -0.045027 31O 1f0 -0.015005 -0.029203 0.000648 -0.028616 -0.023727 -0.002486 31O 1f+1 0.000330 0.011328 -0.001837 0.011379 0.008384 -0.003721 31O 1f-1 -0.009852 -0.000226 0.004235 0.017543 0.010298 0.003347 31O 1f+2 -0.023210 0.021806 0.004003 0.041160 0.027339 0.013042 31O 1f-2 0.012476 -0.006223 -0.006097 -0.012466 -0.007562 -0.001862 31O 1f+3 0.004514 -0.015014 0.002287 -0.013299 -0.012219 -0.012584 31O 1f-3 0.019830 -0.011977 0.002360 -0.022015 -0.014364 0.005630 32O 1s -0.016078 -0.002817 -0.000522 0.000726 -0.000157 0.001448 32O 2s -0.058411 -0.010110 -0.001722 0.001219 -0.000634 0.005461 32O 3s 0.525569 0.088042 0.012122 0.019098 0.006673 -0.054139 32O 4s -1.194130 -0.197324 -0.021875 -0.073853 -0.022581 0.121505 32O 5s 1.501299 0.294911 0.058566 -0.164551 0.058093 -0.071525 32O 1pz 0.056474 0.020216 -0.131853 0.036526 -0.026030 0.311618 32O 1px 0.018371 0.006968 -0.046186 -0.014985 -0.011835 0.114738 32O 1py -0.010814 -0.000233 0.009556 0.032955 0.002883 -0.027228 32O 2pz -0.237024 -0.083273 0.578634 -0.153047 0.117905 -1.370630 32O 2px -0.132572 -0.042552 0.203484 0.043218 0.047609 -0.501591 32O 2py -0.005225 0.003923 -0.038482 -0.107421 -0.009668 0.116174 32O 3pz -0.091337 -0.008912 -0.030112 -0.033263 -0.003838 0.042783 32O 3px 0.425607 0.070564 -0.020435 -0.025151 0.013962 -0.022535 32O 3py 0.261839 0.065680 0.035666 -0.037076 -0.000223 -0.022731 32O 1dz2 0.000279 -0.002769 -0.003473 0.003421 -0.001147 0.012602 32O 1dxz -0.005474 -0.002795 0.003933 -0.005536 0.000957 -0.013498 32O 1dyz -0.003118 0.001069 -0.006539 0.001578 -0.000448 0.007891 32O 1dx2y2 0.018257 0.000720 -0.000700 0.004220 0.000959 -0.008701 32O 1dxy 0.015844 0.001051 -0.000181 -0.008481 -0.001732 0.004917 32O 2dz2 -0.094892 -0.030658 0.128138 -0.051706 0.025643 -0.288003 32O 2dxz 0.028982 0.013937 -0.130749 -0.005141 -0.026577 0.313493 32O 2dyz -0.118893 -0.033742 0.233828 -0.057784 0.050997 -0.573765 32O 2dx2y2 0.054159 0.007028 -0.048145 0.034626 -0.007044 0.084446 32O 2dxy 0.017652 -0.011257 0.097244 -0.011099 0.018196 -0.244358 32O 1f0 0.027196 0.004269 -0.012676 0.003955 -0.002767 0.030030 32O 1f+1 -0.004378 0.001825 -0.017371 0.002353 -0.003766 0.038084 32O 1f-1 0.023319 0.008473 -0.026572 0.012539 -0.005571 0.060965 32O 1f+2 -0.014714 -0.001945 0.008764 0.002581 0.000995 -0.019233 32O 1f-2 -0.003699 -0.005044 0.045209 -0.011337 0.008007 -0.104554 32O 1f+3 0.010771 0.000404 -0.009865 0.003732 -0.002687 0.020228 32O 1f-3 0.016335 0.000892 -0.019365 -0.008698 -0.005533 0.054954 33O 1s -0.005239 0.002771 0.003761 -0.004509 0.000938 -0.001285 33O 2s -0.013751 0.009394 0.012740 -0.014317 0.002340 -0.004301 33O 3s 0.018245 -0.068848 -0.084622 0.088011 0.004819 0.035346 33O 4s 0.083135 0.094056 0.074140 -0.028310 -0.084191 -0.062719 33O 5s 1.099592 -0.207412 -0.181489 0.148397 -0.163902 0.072421 33O 1pz 0.057799 0.012638 -0.013867 0.017619 0.004986 -0.032654 33O 1px -0.001956 0.022996 0.038132 -0.030595 0.008713 -0.037589 33O 1py 0.015373 -0.003584 0.007698 -0.011328 -0.010685 -0.053976 33O 2pz 0.101219 -0.025855 -0.021142 -0.004930 -0.060014 -0.015050 33O 2px -0.272166 -0.023432 -0.016798 -0.010268 0.047934 0.058342 33O 2py 0.020947 -0.001642 -0.030140 0.025438 0.020438 0.087163 33O 3pz -0.001921 -0.026345 -0.147720 0.198996 -0.044619 -0.113463 33O 3px -0.251390 0.057031 0.081258 -0.127935 0.104606 -0.079498 33O 3py -0.010679 0.017302 -0.038965 0.081425 -0.050285 0.031160 33O 1dz2 0.005417 -0.000471 -0.009588 0.002308 0.002414 0.015362 33O 1dxz 0.022598 -0.001719 -0.008962 -0.001561 0.001975 -0.007309 33O 1dyz 0.004918 0.000719 -0.001871 -0.000590 -0.002362 -0.000446 33O 1dx2y2 -0.005156 0.000932 -0.000649 -0.002700 0.007032 -0.000940 33O 1dxy 0.000143 0.002955 0.002886 -0.004819 0.000802 -0.014705 33O 2dz2 0.005483 0.033330 0.004545 -0.029254 0.012244 -0.049087 33O 2dxz -0.127551 0.004023 0.013384 -0.010062 0.022364 0.041316 33O 2dyz 0.050090 -0.012891 0.001200 -0.010907 0.007303 0.004625 33O 2dx2y2 0.113628 0.019976 0.004746 0.027456 -0.041463 0.042190 33O 2dxy -0.063894 0.003946 -0.007512 -0.010742 0.008021 -0.030287 33O 1f0 0.007062 -0.012019 -0.024833 -0.000402 0.024934 -0.012815 33O 1f+1 -0.000280 0.012878 0.013221 -0.008181 0.001464 -0.018746 33O 1f-1 0.036467 0.013644 0.009415 0.008245 -0.014436 -0.018406 33O 1f+2 -0.012125 0.004901 0.005458 0.007799 -0.008939 0.019339 33O 1f-2 0.000097 0.002134 -0.001033 -0.004820 0.004125 -0.008963 33O 1f+3 0.002306 -0.031901 -0.050868 -0.005046 0.037716 -0.011087 33O 1f-3 0.016478 0.004723 0.009579 -0.001942 -0.003974 0.000122 34O 1s -0.006163 -0.005236 0.000789 -0.000476 -0.001736 0.001204 34O 2s -0.017299 -0.017006 0.000831 -0.004842 -0.006425 0.000787 34O 3s 0.048705 0.106362 0.060194 0.112739 0.061236 0.074782 34O 4s 0.069504 -0.108639 -0.352869 -0.470964 -0.138933 -0.395860 34O 5s 1.316631 0.584801 -0.375034 -0.125880 0.059088 -0.501348 34O 1pz 0.050938 0.001778 -0.005878 -0.032332 -0.029909 0.025225 34O 1px 0.024297 0.026449 -0.008229 0.010948 0.010501 0.000659 34O 1py -0.057323 0.008804 0.015192 -0.009664 -0.008116 -0.054321 34O 2pz -0.130142 0.015915 0.010481 0.111626 0.077597 -0.016481 34O 2px 0.330668 0.081018 -0.250375 -0.241676 -0.047775 -0.277480 34O 2py 0.012904 -0.030473 0.052607 0.108792 0.054587 0.160828 34O 3pz -0.138757 -0.094713 0.010653 -0.101429 -0.093245 0.183776 34O 3px 0.188102 0.100801 -0.158112 -0.194700 -0.078546 -0.184657 34O 3py 0.096754 0.003474 0.062802 0.055021 -0.003936 -0.039667 34O 1dz2 0.012641 -0.001129 -0.005601 -0.015857 -0.008163 -0.007417 34O 1dxz -0.001338 -0.002163 0.000363 -0.003141 -0.004144 -0.007076 34O 1dyz -0.011214 0.000152 0.004438 0.000129 0.005151 -0.000852 34O 1dx2y2 -0.015595 -0.008465 0.010813 -0.005910 -0.006148 0.000036 34O 1dxy 0.007858 0.002221 -0.006515 -0.007788 -0.002308 0.011549 34O 2dz2 -0.069726 -0.000937 0.046353 0.043993 0.011519 0.052360 34O 2dxz -0.043489 0.031612 0.002054 0.049302 0.016827 0.051606 34O 2dyz -0.000675 -0.019464 -0.006185 -0.036858 -0.008139 -0.012413 34O 2dx2y2 0.123670 0.037491 -0.067071 -0.088608 -0.026062 -0.113947 34O 2dxy -0.104871 -0.026171 0.051977 0.053416 0.010702 0.057741 34O 1f0 -0.010306 0.019514 0.001194 0.026302 0.020561 0.013025 34O 1f+1 -0.014906 -0.029897 0.007547 -0.026694 -0.025165 0.004486 34O 1f-1 0.008211 -0.025377 -0.001158 -0.028409 -0.020217 -0.004509 34O 1f+2 -0.016307 -0.003829 0.007031 -0.003510 0.001245 -0.015982 34O 1f-2 -0.037065 -0.001522 0.003943 0.012794 0.007453 -0.004082 34O 1f+3 0.020037 0.007179 0.004337 0.009959 0.007333 0.003715 34O 1f-3 -0.017121 -0.000199 0.003365 -0.003826 -0.001333 -0.023667 35O 1s -0.006066 0.002863 0.002501 -0.004474 0.000680 -0.007626 35O 2s -0.015869 0.009351 0.007332 -0.013751 0.000720 -0.024899 35O 3s -0.010014 -0.061594 -0.026069 0.072623 0.029317 0.192366 35O 4s 0.400637 0.049046 -0.097365 0.041701 -0.162751 -0.367014 35O 5s 1.341356 -0.205111 -0.093091 0.123707 -0.184691 0.541119 35O 1pz -0.033679 0.005465 -0.018602 0.000269 0.008291 0.013922 35O 1px 0.017874 -0.007591 -0.034409 0.031895 0.017714 0.004264 35O 1py 0.003375 -0.013715 -0.009849 0.009898 -0.025877 0.025681 35O 2pz 0.164406 0.000877 0.060203 0.030359 -0.057361 -0.003110 35O 2px 0.518642 -0.010015 -0.008006 0.038264 -0.148409 -0.033035 35O 2py 0.237790 -0.008806 -0.036674 0.038448 0.030927 -0.073741 35O 3pz -0.325231 -0.066252 -0.113944 0.133309 0.047546 -0.052711 35O 3px 0.205585 -0.108164 -0.100607 0.234094 -0.059267 0.029393 35O 3py -0.210239 0.015025 -0.027017 0.161141 -0.092975 -0.153449 35O 1dz2 0.013094 -0.002765 -0.013140 -0.001595 0.009172 -0.009174 35O 1dxz 0.004079 0.002323 -0.001457 -0.006514 0.010381 -0.023994 35O 1dyz 0.015775 0.005385 0.011322 -0.001712 -0.001236 -0.016284 35O 1dx2y2 -0.012631 -0.002074 -0.006949 -0.002434 0.007768 0.004803 35O 1dxy -0.008381 0.003901 0.004035 -0.003605 0.004855 -0.018109 35O 2dz2 -0.116493 0.024090 0.010531 -0.032170 0.034603 0.006473 35O 2dxz 0.097173 0.005673 -0.009026 0.016619 -0.026408 0.079286 35O 2dyz 0.063388 -0.008094 0.007985 -0.002542 -0.004349 0.038856 35O 2dx2y2 0.163457 0.026138 0.001939 0.009809 -0.039903 -0.021568 35O 2dxy 0.132447 -0.006185 -0.018239 0.031413 -0.021101 -0.042630 35O 1f0 -0.003268 0.021678 0.027942 0.006299 -0.023566 0.021712 35O 1f+1 0.003839 -0.011703 -0.019782 -0.002389 0.011826 0.012652 35O 1f-1 0.013679 -0.002353 -0.007343 0.008004 0.003148 -0.010536 35O 1f+2 -0.008494 0.009274 0.011691 -0.006080 0.000255 -0.019470 35O 1f-2 0.007259 0.019412 0.023543 0.010542 -0.024536 -0.015369 35O 1f+3 0.002248 0.013265 0.018777 -0.000494 -0.012009 -0.018480 35O 1f-3 -0.026375 0.014253 0.024831 -0.005656 -0.010468 -0.007943 576 577 578 579 580 581 3.95058 3.98351 3.99818 3.99935 4.03838 4.05049 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s 0.001276 0.000692 0.002739 -0.001621 0.004025 0.004300 0Rh 2s -0.012490 -0.006252 -0.025005 0.016400 -0.033039 -0.042800 0Rh 3s 0.000103 0.000370 0.001318 0.000177 0.004173 -0.000048 0Rh 4s 0.069295 0.034807 0.139205 -0.091291 0.184697 0.237863 0Rh 5s -0.162415 -0.080429 -0.321255 0.218272 -0.414559 -0.553152 0Rh 6s 0.172333 0.080129 0.317399 -0.247086 0.352944 0.546874 0Rh 7s -0.265582 -0.114659 -0.517441 0.405127 -0.070780 -0.620310 0Rh 8s 0.077959 -0.121393 0.120337 -0.015994 -0.150092 0.719714 0Rh 1pz 0.007443 0.001399 -0.001953 0.008687 -0.003969 -0.002627 0Rh 1px 0.005993 0.000030 -0.000677 -0.005627 0.002988 0.006852 0Rh 1py -0.001044 0.003932 0.002614 -0.001042 -0.000104 0.003887 0Rh 2pz -0.028704 -0.005269 0.007606 -0.033859 0.016284 0.009621 0Rh 2px -0.023582 -0.000399 0.002609 0.023012 -0.010938 -0.024910 0Rh 2py 0.003940 -0.015022 -0.011074 0.004181 0.000453 -0.014875 0Rh 3pz 0.057473 0.007707 -0.016477 0.075036 -0.053470 -0.008165 0Rh 3px 0.057274 0.006783 -0.004872 -0.073547 0.008766 0.017069 0Rh 3py -0.006220 0.026985 0.043439 -0.011622 -0.001958 0.026977 0Rh 4pz 0.003428 0.013446 0.002741 -0.026201 0.091881 -0.047972 0Rh 4px -0.041304 -0.025080 -0.004365 0.115130 0.062801 0.140947 0Rh 4py -0.006989 0.015601 -0.094034 0.012185 0.004174 0.013560 0Rh 5pz -0.101595 -0.041602 0.026194 -0.063730 -0.150119 0.093155 0Rh 5px 0.004774 0.037476 0.032391 -0.137686 -0.177860 -0.257087 0Rh 5py 0.023033 -0.081419 0.163268 -0.000314 -0.004691 -0.058397 0Rh 6pz -0.082098 -0.035983 -0.080109 0.033885 0.700243 0.495172 0Rh 6px -0.192926 0.140041 -0.246373 0.254344 0.440557 -2.029921 0Rh 6py 0.029476 0.238267 -0.397307 -0.179682 -0.034445 -0.375415 0Rh 1dz2 -0.028044 -0.014422 0.027170 -0.003507 -0.034280 0.075892 0Rh 1dxz 0.056601 0.002969 -0.025684 0.082436 0.054144 0.097717 0Rh 1dyz 0.063445 0.000606 0.064018 0.039700 0.046639 0.011158 0Rh 1dx2y2 0.051406 0.001705 0.023155 -0.008131 0.048110 -0.152713 0Rh 1dxy -0.004382 0.059331 -0.033605 0.005418 0.020850 -0.040284 0Rh 2dz2 -0.002911 -0.002400 0.003291 0.000382 -0.006909 0.012323 0Rh 2dxz 0.007432 -0.000035 -0.003946 0.010970 0.010386 0.016170 0Rh 2dyz 0.009833 0.000739 0.008445 0.006365 0.007491 0.002128 0Rh 2dx2y2 0.007070 0.000536 0.004020 -0.001241 0.008405 -0.025166 0Rh 2dxy 0.000088 0.008123 -0.008623 0.000719 0.002939 -0.007181 0Rh 3dz2 0.118097 0.065659 -0.117896 0.011277 0.162085 -0.347253 0Rh 3dxz -0.246134 -0.010960 0.115212 -0.361970 -0.254480 -0.449147 0Rh 3dyz -0.282910 -0.004875 -0.280925 -0.179376 -0.212315 -0.052597 0Rh 3dx2y2 -0.224710 -0.008974 -0.105885 0.036464 -0.221529 0.700437 0Rh 3dxy 0.015953 -0.260551 0.166915 -0.023821 -0.092922 0.187849 0Rh 4dz2 -0.154538 -0.100081 0.165770 -0.005595 -0.247910 0.535330 0Rh 4dxz 0.337271 0.009988 -0.166093 0.507844 0.393093 0.698751 0Rh 4dyz 0.401371 0.001378 0.400020 0.261583 0.317767 0.085160 0Rh 4dx2y2 0.309603 0.017549 0.156433 -0.056193 0.329812 -1.083380 0Rh 4dxy -0.015963 0.359535 -0.267301 0.032847 0.134456 -0.300618 0Rh 5dz2 0.117597 0.147740 -0.185844 -0.044740 0.238239 -0.769532 0Rh 5dxz -0.275755 0.026129 0.147000 -0.424329 -0.457860 -1.045839 0Rh 5dyz -0.324302 0.086498 -0.452237 -0.238632 -0.362115 -0.152751 0Rh 5dx2y2 -0.241197 -0.056108 -0.158957 0.100124 -0.301443 1.577023 0Rh 5dxy 0.008735 -0.243854 0.285907 -0.013992 -0.124738 0.503912 0Rh 1f0 0.010264 -0.002472 0.000713 -0.010925 -0.020661 -0.050205 0Rh 1f+1 0.003182 0.006144 0.008649 0.021356 -0.032309 0.037368 0Rh 1f-1 -0.008997 -0.017421 0.004297 -0.006089 -0.003497 0.003398 0Rh 1f+2 0.002674 -0.016678 -0.005716 0.013281 0.024605 0.061257 0Rh 1f-2 -0.002336 0.024042 0.020618 0.007279 0.013464 0.025190 0Rh 1f+3 -0.009317 -0.012460 -0.013249 0.017875 -0.007749 0.070440 0Rh 1f-3 -0.001380 -0.012671 0.031970 0.014265 0.000509 0.045111 1Rh 1s -0.001161 -0.000545 0.002475 0.001974 0.004153 -0.004189 1Rh 2s 0.011475 0.004986 -0.022311 -0.019646 -0.034333 0.041928 1Rh 3s -0.000028 -0.000255 0.001359 -0.000025 0.004165 0.000185 1Rh 4s -0.063657 -0.027757 0.124215 0.109360 0.191886 -0.232981 1Rh 5s 0.149566 0.064461 -0.285413 -0.260069 -0.431323 0.542327 1Rh 6s -0.160131 -0.065604 0.276797 0.288812 0.369753 -0.538271 1Rh 7s 0.247929 0.101310 -0.450160 -0.481007 -0.091449 0.622251 1Rh 8s -0.075772 0.121581 0.107724 0.035363 -0.125948 -0.724244 1Rh 1pz 0.007269 0.001472 0.000698 0.008884 0.003955 -0.002524 1Rh 1px 0.005962 -0.000021 0.001657 -0.005397 -0.003274 0.006717 1Rh 1py -0.001060 0.003916 -0.002409 -0.001351 -0.000129 0.003876 1Rh 2pz -0.028030 -0.005554 -0.002716 -0.034629 -0.016214 0.009196 1Rh 2px -0.023464 -0.000212 -0.006590 0.022111 0.012006 -0.024411 1Rh 2py 0.004008 -0.014944 0.010240 0.005513 0.000447 -0.014839 1Rh 3pz 0.056097 0.008378 0.005701 0.076746 0.053013 -0.006720 1Rh 3px 0.057027 0.006594 0.017015 -0.071589 -0.010099 0.016495 1Rh 3py -0.006456 0.026431 -0.040970 -0.017341 0.000110 0.027095 1Rh 4pz 0.002953 0.013161 0.000755 -0.026563 -0.090590 -0.050661 1Rh 4px -0.041348 -0.025867 -0.013160 0.115024 -0.066307 0.138893 1Rh 4py -0.006347 0.017415 0.090862 0.025811 -0.004088 0.012677 1Rh 5pz -0.095361 -0.042540 -0.016490 -0.066544 0.148871 0.098226 1Rh 5px 0.005549 0.039271 -0.012020 -0.143167 0.185305 -0.250909 1Rh 5py 0.020776 -0.085232 -0.161153 -0.025436 0.007061 -0.056322 1Rh 6pz -0.134228 -0.030925 0.069833 0.042214 -0.719497 0.460295 1Rh 6px -0.198629 0.142169 0.182856 0.290752 -0.378435 -2.044945 1Rh 6py 0.041415 0.251626 0.416691 -0.108169 0.043773 -0.380235 1Rh 1dz2 0.025446 0.015146 0.025884 0.007578 -0.032452 -0.076971 1Rh 1dxz -0.052596 -0.004212 -0.014442 -0.085596 0.057768 -0.095670 1Rh 1dyz -0.058764 0.001080 0.068604 -0.029294 0.046940 -0.009142 1Rh 1dx2y2 -0.048501 -0.001144 0.021482 0.011458 0.043657 0.154479 1Rh 1dxy 0.003027 -0.060095 -0.031699 -0.010614 0.020257 0.041842 1Rh 2dz2 0.002542 0.002457 0.003196 0.000112 -0.006589 -0.012550 1Rh 2dxz -0.006889 -0.000120 -0.002458 -0.011460 0.010955 -0.015805 1Rh 2dyz -0.009188 -0.000518 0.009211 -0.004974 0.007551 -0.001829 1Rh 2dx2y2 -0.006670 -0.000417 0.003773 0.001828 0.007669 0.025468 1Rh 2dxy -0.000249 -0.008328 -0.008329 -0.002041 0.002805 0.007436 1Rh 3dz2 -0.106677 -0.068661 -0.112617 -0.028949 0.153626 0.352427 1Rh 3dxz 0.228624 0.016350 0.065906 0.376183 -0.270950 0.439660 1Rh 3dyz 0.262415 -0.002498 -0.301754 0.133624 -0.213746 0.043520 1Rh 3dx2y2 0.212007 0.006326 -0.098438 -0.051733 -0.201140 -0.708595 1Rh 3dxy -0.010131 0.264389 0.158363 0.049582 -0.090016 -0.194981 1Rh 4dz2 0.138597 0.104101 0.159251 0.030476 -0.234677 -0.543391 1Rh 4dxz -0.312888 -0.017414 -0.097155 -0.528466 0.418110 -0.684298 1Rh 4dyz -0.372896 0.009063 0.430132 -0.196346 0.320027 -0.071703 1Rh 4dx2y2 -0.291971 -0.013575 0.145414 0.078872 0.298387 1.095661 1Rh 4dxy 0.008002 -0.365747 -0.255177 -0.074051 0.129352 0.311302 1Rh 5dz2 -0.104500 -0.152372 -0.184181 0.016628 0.217654 0.777256 1Rh 5dxz 0.254352 -0.020673 0.091749 0.443222 -0.491619 1.029381 1Rh 5dyz 0.299425 -0.098566 -0.475571 0.165773 -0.365510 0.137371 1Rh 5dx2y2 0.226269 0.052522 -0.144170 -0.123797 -0.255485 -1.588510 1Rh 5dxy -0.002476 0.250687 0.277754 0.058044 -0.113050 -0.514910 1Rh 1f0 0.011372 -0.002320 0.000921 -0.010815 0.022116 -0.049495 1Rh 1f+1 0.004071 0.005931 -0.011738 0.019812 0.031046 0.038347 1Rh 1f-1 -0.009343 -0.017439 -0.003020 -0.006562 0.003564 0.003478 1Rh 1f+2 0.002387 -0.016785 0.004414 0.014158 -0.026130 0.060355 1Rh 1f-2 -0.002883 0.023464 -0.022207 0.004089 -0.014268 0.024786 1Rh 1f+3 -0.009358 -0.012177 0.010728 0.019761 0.005748 0.070414 1Rh 1f-3 -0.001614 -0.013627 -0.033178 0.009279 -0.001809 0.045426 2C 1s -0.002401 0.005134 -0.007728 0.005336 0.005418 -0.001149 2C 2s -0.008188 0.014701 -0.023606 0.014718 0.017033 -0.004396 2C 3s 0.203903 -0.047008 0.259473 0.009813 -0.129118 0.097818 2C 4s -1.052330 -0.592196 -0.466137 -0.997748 -0.296212 -0.332352 2C 5s 0.526046 0.544929 -0.062906 0.511353 -0.382285 -0.002792 2C 1pz 0.041051 -0.083426 0.139754 -0.063859 -0.097153 0.038342 2C 1px 0.019867 -0.032251 0.028313 -0.021127 -0.023149 0.009827 2C 1py 0.062335 -0.050606 0.099132 -0.050826 -0.065443 0.026713 2C 2pz -0.188530 -0.352000 -0.217269 -0.703046 -0.288390 -0.118181 2C 2px -0.868403 0.903569 -1.134385 0.741796 1.042647 -0.377768 2C 2py -1.075979 -0.068351 -0.428359 -0.029562 0.274450 -0.189105 2C 3pz -0.028842 0.167005 -0.116973 0.138595 0.017390 -0.064118 2C 3px 0.158823 -0.199666 0.207602 -0.180219 -0.343629 0.257147 2C 3py 0.190100 0.024418 -0.011964 0.028941 -0.123985 0.024415 2C 1dz2 0.034295 -0.081780 0.089315 -0.052817 -0.056782 0.052904 2C 1dxz 0.051116 -0.080665 0.136759 -0.054039 -0.060903 -0.043536 2C 1dyz -0.102937 0.038630 -0.041708 0.026110 0.061768 -0.001252 2C 1dx2y2 -0.135990 0.149533 -0.171894 0.172365 0.186043 -0.039190 2C 1dxy 0.124083 0.006230 0.017930 -0.026672 -0.027692 -0.044859 2C 2dz2 -0.024502 0.090837 -0.199307 -0.040321 0.108887 -0.068885 2C 2dxz -0.116094 -0.078645 0.056001 -0.129638 -0.174077 0.070561 2C 2dyz -0.434242 0.229782 -0.524664 0.201858 0.412769 -0.167855 2C 2dx2y2 -0.110489 0.240217 -0.197603 0.202703 0.259625 -0.060322 2C 2dxy -0.016929 0.027456 -0.072128 -0.051110 -0.038317 0.009140 2C 1f0 0.152901 0.025514 0.001829 -0.000910 0.045169 -0.008533 2C 1f+1 0.064514 0.239528 -0.100374 0.230699 0.193127 -0.012549 2C 1f-1 0.097095 -0.058578 -0.022576 -0.070483 -0.022214 -0.016000 2C 1f+2 0.168893 -0.063291 0.123979 -0.089067 -0.118391 0.033331 2C 1f-2 -0.172359 0.145101 -0.086990 0.122955 0.087171 -0.012456 2C 1f+3 -0.215575 0.214262 -0.227130 0.203785 0.198798 -0.028464 2C 1f-3 -0.094266 0.148081 -0.151738 0.173814 0.184843 -0.032128 3C 1s -0.000620 -0.005680 0.005162 0.004630 0.003391 -0.000482 3C 2s -0.004112 -0.016342 0.017000 0.012986 0.010997 -0.002049 3C 3s 0.217890 0.079084 -0.257380 -0.049521 -0.145711 0.014648 3C 4s -1.264593 0.435317 0.760560 -0.417940 0.259596 0.153614 3C 5s 0.838932 -0.340680 -0.164599 0.365598 0.368858 -0.260824 3C 1pz 0.030181 0.053517 -0.071927 -0.032628 -0.039440 0.008211 3C 1px 0.014487 0.049965 -0.047396 -0.039635 -0.024011 0.009088 3C 1py -0.041465 -0.083425 0.102189 0.067640 0.065685 -0.024121 3C 2pz -0.352643 0.308127 0.097696 -0.410062 -0.213847 0.227833 3C 2px -0.583060 -1.073987 1.347431 1.012032 0.980406 -0.365502 3C 2py 0.674119 -0.275310 -0.356319 0.230701 -0.148353 -0.127392 3C 3pz 0.015168 -0.139814 0.038530 0.076625 0.151541 -0.116970 3C 3px 0.161363 0.213518 -0.276149 -0.210648 -0.182887 0.243026 3C 3py -0.137922 0.082097 -0.048912 -0.132169 -0.128101 0.082230 3C 1dz2 -0.009439 -0.010399 0.038137 0.032023 0.000409 0.025150 3C 1dxz 0.051800 0.213496 -0.212689 -0.190056 -0.145848 0.018954 3C 1dyz 0.025932 0.030258 -0.073273 -0.066208 -0.079896 -0.020582 3C 1dx2y2 -0.017309 -0.086178 0.073590 0.089933 0.082479 -0.070883 3C 1dxy 0.013608 0.029181 -0.028381 -0.022891 -0.042906 0.075749 3C 2dz2 0.037558 -0.020474 -0.035762 -0.065720 -0.024415 -0.002534 3C 2dxz 0.026167 0.253278 -0.221907 -0.282140 -0.289344 0.158047 3C 2dyz 0.300668 0.305629 -0.469766 -0.218482 -0.340122 0.096264 3C 2dx2y2 0.116152 -0.017914 -0.089002 0.000878 -0.065123 0.007995 3C 2dxy 0.144006 0.151331 -0.242917 -0.127597 -0.069909 -0.037219 3C 1f0 0.050391 0.134476 -0.152456 -0.126584 -0.098469 0.021551 3C 1f+1 -0.056130 -0.190978 0.168289 0.163206 0.181373 -0.057883 3C 1f-1 0.026898 -0.064862 -0.019138 0.091682 0.062647 -0.043004 3C 1f+2 0.006737 -0.261262 0.143072 0.242584 0.166170 -0.053686 3C 1f-2 0.079198 0.296260 -0.242880 -0.250438 -0.218212 0.068031 3C 1f+3 0.030460 -0.122460 0.034608 0.093008 0.042082 -0.033233 3C 1f-3 -0.034450 0.010988 0.008117 -0.013786 -0.063360 0.043307 4C 1s 0.003408 0.012239 -0.005225 0.014694 0.014367 -0.001029 4C 2s 0.007630 0.031972 -0.016843 0.037455 0.035369 -0.003232 4C 3s 0.086586 -0.214533 0.279883 -0.185802 -0.173556 0.084137 4C 4s -0.525251 -0.184477 -0.508280 -0.483884 -0.575435 -0.280133 4C 5s -0.530182 0.122044 -0.505987 -0.039171 0.353293 -0.296828 4C 1pz 0.097514 0.122951 -0.061055 0.138300 0.080709 -0.009133 4C 1px -0.039131 0.021125 -0.040417 0.031153 0.047293 0.043793 4C 1py 0.001287 0.072531 -0.049014 0.098886 0.068875 0.011809 4C 2pz -1.284732 -0.532647 -0.513597 -0.955909 -0.368456 -0.329869 4C 2px -0.174912 0.163748 -0.775880 0.246578 0.710573 -0.202268 4C 2py -0.580737 -0.191635 -0.584211 -0.531556 0.012520 -0.264079 4C 3pz 0.300122 0.180571 -0.151657 0.175975 -0.613418 0.070086 4C 3px 0.095611 0.170882 -0.160689 0.157794 0.062212 -0.207274 4C 3py 0.163028 0.227552 -0.148852 0.103262 -0.355216 -0.010634 4C 1dz2 0.071305 -0.121778 0.134758 -0.123588 -0.122291 -0.050494 4C 1dxz 0.012863 0.034104 0.048342 0.073246 0.025675 0.129054 4C 1dyz -0.095876 -0.140932 0.056210 -0.183567 -0.160717 -0.001643 4C 1dx2y2 -0.039261 0.009437 -0.113187 -0.000560 0.015367 -0.019417 4C 1dxy -0.072231 -0.016505 -0.052400 -0.010188 -0.012543 0.078107 4C 2dz2 0.563215 0.190528 0.171110 0.219752 0.001991 0.226650 4C 2dxz 0.126037 0.357112 -0.228260 0.428874 0.494506 -0.211187 4C 2dyz 0.251526 0.230590 0.027655 0.415607 0.242291 0.056868 4C 2dx2y2 -0.238637 -0.161926 -0.048440 -0.369989 -0.183687 -0.089975 4C 2dxy -0.235092 0.200077 -0.377867 0.138029 0.164573 -0.247503 4C 1f0 -0.229201 0.200797 -0.177258 0.248239 0.201283 -0.028328 4C 1f+1 0.230935 -0.193959 0.356542 -0.093034 -0.157876 0.109895 4C 1f-1 -0.066006 -0.037290 0.069885 -0.048422 -0.012093 -0.004617 4C 1f+2 -0.173631 -0.163004 0.018908 -0.188791 -0.163874 -0.010978 4C 1f-2 0.106714 -0.214859 0.121317 -0.211522 -0.195575 0.037981 4C 1f+3 0.024339 -0.169874 0.138657 -0.224475 -0.274551 0.042738 4C 1f-3 0.214080 0.019997 0.204295 0.031090 -0.089779 0.071864 5C 1s 0.003981 -0.011658 0.003690 0.008796 0.006210 -0.003327 5C 2s 0.008970 -0.030575 0.010571 0.022824 0.014877 -0.008220 5C 3s 0.045003 0.210207 -0.136334 -0.159116 0.035156 0.025154 5C 4s -0.462053 0.188740 0.173387 -0.147351 -0.756722 0.168432 5C 5s -0.628049 -0.180053 0.446777 0.167981 0.226025 -0.019459 5C 1pz 0.032872 -0.063805 0.012767 0.035829 0.016764 -0.031348 5C 1px 0.058122 -0.046615 0.035163 0.078835 0.040730 0.028199 5C 1py -0.074894 0.098361 -0.008691 -0.076658 -0.043243 0.044449 5C 2pz -0.516970 0.310620 0.226920 -0.178015 -0.156285 0.130866 5C 2px -0.886173 -0.179181 0.852955 0.032769 0.628177 -0.047567 5C 2py 1.133276 -0.287125 -0.761693 0.283531 0.052855 -0.211710 5C 3pz 0.332949 0.021128 -0.043639 0.153496 0.180901 -0.005185 5C 3px 0.015808 -0.103461 0.043071 0.095917 0.271316 -0.232375 5C 3py -0.456800 0.121913 0.075616 -0.142940 -0.353717 0.034981 5C 1dz2 0.043827 -0.021622 -0.015606 0.030189 0.027402 -0.053468 5C 1dxz 0.005317 -0.005721 -0.025934 0.010364 0.005413 0.063921 5C 1dyz 0.099304 -0.159219 0.021009 0.129716 0.097666 -0.000976 5C 1dx2y2 -0.041098 -0.109583 0.132166 0.108748 0.062904 0.044459 5C 1dxy 0.038710 0.028986 -0.010805 -0.026566 -0.031712 -0.116083 5C 2dz2 0.097430 0.068015 -0.078328 -0.120601 -0.127351 0.114851 5C 2dxz 0.206169 -0.308123 0.066484 0.256573 0.305359 -0.217644 5C 2dyz -0.317738 0.118290 0.209667 -0.066750 0.127302 -0.066962 5C 2dx2y2 -0.558782 0.083293 0.383847 -0.103025 0.067990 -0.032578 5C 2dxy -0.177528 0.307794 -0.230056 -0.305383 -0.133693 0.319111 5C 1f0 0.040892 -0.112179 0.052381 0.073156 0.056280 -0.052992 5C 1f+1 0.152121 -0.004823 -0.184127 -0.000668 0.001283 -0.018412 5C 1f-1 -0.039893 0.037128 0.008708 -0.063813 -0.014717 0.042190 5C 1f+2 0.113561 0.213068 -0.228340 -0.174909 -0.181888 0.081654 5C 1f-2 -0.075516 -0.104544 0.156395 0.080784 -0.017161 -0.008427 5C 1f+3 0.204211 0.342110 -0.343118 -0.297108 -0.333278 0.100210 5C 1f-3 -0.060069 0.289650 -0.119325 -0.246914 -0.236193 0.096482 6C 1s -0.004441 0.012102 0.004897 -0.008331 0.006161 0.003460 6C 2s -0.010248 0.031749 0.013720 -0.021448 0.014771 0.008541 6C 3s -0.031015 -0.218456 -0.159763 0.137997 0.033622 -0.023549 6C 4s 0.446954 -0.197202 0.161402 0.184296 -0.747442 -0.189523 6C 5s 0.623339 0.199973 0.477016 -0.101257 0.232180 0.023731 6C 1pz 0.036096 -0.065757 -0.017328 0.034422 -0.015867 -0.031750 6C 1px 0.060732 -0.048776 -0.045848 0.073327 -0.041644 0.027416 6C 1py -0.077533 0.101354 0.019277 -0.075963 0.042363 0.045547 6C 2pz -0.523618 0.307583 -0.206946 -0.214018 0.147492 0.130509 6C 2px -0.910107 -0.203883 -0.860800 -0.098944 -0.627788 -0.063573 6C 2py 1.131504 -0.269629 0.725074 0.401011 -0.041390 -0.207186 6C 3pz 0.320578 0.026123 0.017027 0.162441 -0.178319 -0.010212 6C 3px 0.007608 -0.106711 -0.058717 0.087301 -0.260337 -0.240304 6C 3py -0.435969 0.115564 -0.050863 -0.158201 0.345930 0.043912 6C 1dz2 -0.044219 0.022088 -0.011725 -0.033313 0.025922 0.054110 6C 1dxz -0.007499 0.004991 -0.025002 -0.014069 0.006320 -0.064559 6C 1dyz -0.104762 0.163653 0.038153 -0.127146 0.097245 0.002772 6C 1dx2y2 0.033643 0.115402 0.144937 -0.087823 0.064863 -0.042226 6C 1dxy -0.036268 -0.028058 -0.012186 0.023489 -0.033348 0.116126 6C 2dz2 -0.100386 -0.070008 -0.097300 0.107081 -0.124761 -0.118084 6C 2dxz -0.215318 0.314409 0.096177 -0.246237 0.297396 0.225861 6C 2dyz 0.327862 -0.114220 0.202589 0.099276 0.125735 0.071435 6C 2dx2y2 0.560294 -0.075858 0.371937 0.162764 0.066111 0.033833 6C 2dxy 0.192066 -0.321402 -0.272459 0.270618 -0.125621 -0.320765 6C 1f0 0.042418 -0.116365 -0.062678 0.065867 -0.053987 -0.053209 6C 1f+1 0.152032 0.000695 0.184524 0.027559 0.000474 -0.018346 6C 1f-1 -0.038664 0.037766 0.000845 -0.064213 0.012969 0.041773 6C 1f+2 0.104914 0.221133 0.247134 -0.137919 0.176353 0.084782 6C 1f-2 -0.062223 -0.110678 -0.164308 0.055956 0.017612 -0.007873 6C 1f+3 0.193268 0.353926 0.376393 -0.241120 0.327236 0.107829 6C 1f-3 -0.074523 0.295888 0.144367 -0.226670 0.227982 0.100310 7C 1s -0.002911 -0.012264 -0.002743 -0.015468 0.014589 0.001565 7C 2s -0.006352 -0.032168 -0.010427 -0.039956 0.035904 0.004536 7C 3s -0.094695 0.223195 0.240595 0.226866 -0.173804 -0.090128 7C 4s 0.519896 0.156116 -0.561403 0.413258 -0.593485 0.260409 7C 5s 0.543507 -0.137174 -0.486987 -0.038018 0.348060 0.318275 7C 1pz 0.093468 0.123742 0.039431 0.147327 -0.082515 -0.011638 7C 1px -0.040348 0.021445 0.034554 0.036905 -0.048639 0.042190 7C 1py 0.001803 0.073679 0.033087 0.106894 -0.071170 0.009584 7C 2pz -1.256091 -0.509999 0.624751 -0.872611 0.390799 -0.313265 7C 2px -0.183114 0.184064 0.719182 0.363754 -0.702296 -0.229257 7C 2py -0.591815 -0.172401 0.644215 -0.443289 0.005361 -0.264826 7C 3pz 0.337536 0.180166 0.124077 0.190632 0.605916 0.091418 7C 3px 0.092621 0.174643 0.130280 0.180689 -0.058398 -0.212670 7C 3py 0.183932 0.228933 0.130890 0.120455 0.352377 0.000087 7C 1dz2 -0.068657 0.122818 0.108962 0.142286 -0.123521 0.046654 7C 1dxz -0.013583 -0.030482 0.059699 -0.064127 0.029328 -0.127494 7C 1dyz 0.088944 0.141456 0.028426 0.192748 -0.165156 -0.004398 7C 1dx2y2 0.039549 -0.013184 -0.111229 -0.017002 0.014871 0.019470 7C 1dxy 0.069935 0.014962 -0.052513 0.002241 -0.010312 -0.078593 7C 2dz2 -0.546964 -0.182798 0.194631 -0.192184 0.012210 -0.226443 7C 2dxz -0.109522 -0.359129 -0.161430 -0.461419 0.492799 0.229043 7C 2dyz -0.247470 -0.230183 0.085260 -0.411848 0.252845 -0.047727 7C 2dx2y2 0.244454 0.157390 -0.099430 0.363891 -0.192808 0.083402 7C 2dxy 0.228098 -0.207103 -0.342238 -0.190635 0.154326 0.253170 7C 1f0 -0.209093 0.198349 0.124193 0.269268 -0.198924 -0.035304 7C 1f+1 0.227181 -0.197697 -0.323444 -0.140566 0.150878 0.114727 7C 1f-1 -0.065383 -0.039287 -0.062253 -0.058191 0.012016 -0.004621 7C 1f+2 -0.165209 -0.157935 0.010337 -0.187074 0.163617 -0.004045 7C 1f-2 0.105988 -0.214742 -0.080510 -0.226960 0.196232 0.045422 7C 1f+3 0.028627 -0.172291 -0.098249 -0.244941 0.276083 0.052801 7C 1f-3 0.211150 0.012402 -0.201955 -0.000961 0.087523 0.075028 8C 1s 0.000404 0.005970 0.005783 -0.003865 0.003437 0.000578 8C 2s 0.003525 0.017262 0.018752 -0.010475 0.011125 0.002385 8C 3s -0.217441 -0.089478 -0.264991 0.011540 -0.147395 -0.020162 8C 4s 1.293139 -0.420062 0.709045 0.532315 0.267381 -0.139703 8C 5s -0.833449 0.336641 -0.110268 -0.394973 0.351893 0.270039 8C 1pz 0.028129 0.056980 0.076066 -0.022122 0.039622 0.009545 8C 1px 0.011171 0.052682 0.052478 -0.032560 0.024092 0.009989 8C 1py -0.038848 -0.088835 -0.111890 0.052649 -0.066130 -0.026321 8C 2pz -0.354224 0.307273 -0.045989 -0.419921 0.205438 0.231394 8C 2px -0.527100 -1.126745 -1.465594 0.797658 -0.961345 -0.386784 8C 2py 0.701724 -0.265802 0.332399 0.282613 0.159115 -0.117726 8C 3pz 0.013749 -0.142125 -0.048441 0.070883 -0.146299 -0.120306 8C 3px 0.150288 0.224393 0.299808 -0.165362 0.173464 0.245685 8C 3py -0.139034 0.084175 0.067962 -0.125187 0.123180 0.085475 8C 1dz2 0.004752 0.008550 0.038365 -0.023493 -0.001027 -0.026040 8C 1dxz -0.039266 -0.221657 -0.234433 0.155248 -0.142672 -0.021189 8C 1dyz -0.026459 -0.034415 -0.082856 0.055417 -0.081549 0.017968 8C 1dx2y2 0.016557 0.091621 0.086792 -0.079739 0.081781 0.073711 8C 1dxy -0.011447 -0.027403 -0.027388 0.016270 -0.037025 -0.075364 8C 2dz2 -0.041765 0.012468 -0.053508 0.064298 -0.032732 -0.001621 8C 2dxz -0.018553 -0.259356 -0.252798 0.243391 -0.278813 -0.162196 8C 2dyz -0.292898 -0.328470 -0.499569 0.149129 -0.339854 -0.106634 8C 2dx2y2 -0.119404 0.017220 -0.087414 -0.015829 -0.063458 -0.009036 8C 2dxy -0.129311 -0.160248 -0.256766 0.088460 -0.069661 0.035958 8C 1f0 0.041280 0.137948 0.163915 -0.100219 0.095025 0.022890 8C 1f+1 -0.047229 -0.199097 -0.186956 0.137703 -0.177920 -0.061435 8C 1f-1 0.027924 -0.062557 0.008325 0.091673 -0.057990 -0.042682 8C 1f+2 0.022362 -0.267246 -0.169538 0.217871 -0.160734 -0.055972 8C 1f-2 0.061125 0.304657 0.268311 -0.209977 0.211732 0.072055 8C 1f+3 0.034666 -0.131603 -0.052213 0.091577 -0.044794 -0.035711 8C 1f-3 -0.025532 0.013121 -0.001289 -0.016769 0.063916 0.045118 9C 1s 0.002490 -0.005335 -0.006659 -0.006503 0.005477 0.001299 9C 2s 0.008441 -0.015299 -0.020567 -0.018297 0.017155 0.004895 9C 3s -0.203556 0.054021 0.250661 0.030400 -0.126338 -0.101792 9C 4s 1.029879 0.574511 -0.591706 0.922140 -0.321441 0.321197 9C 5s -0.552358 -0.538714 0.016491 -0.509682 -0.373160 -0.011480 9C 1pz 0.044058 -0.086877 -0.125208 -0.085108 0.096882 0.041201 9C 1px 0.020318 -0.032554 -0.023351 -0.025101 0.023045 0.010570 9C 1py 0.061827 -0.053510 -0.087913 -0.066288 0.066077 0.028971 9C 2pz -0.202191 -0.337986 0.314507 -0.662790 0.300198 -0.104425 9C 2px -0.861514 0.914629 0.962430 0.896510 -1.028729 -0.414540 9C 2py -1.038899 -0.057439 0.410311 0.035516 -0.269651 -0.199499 9C 3pz -0.020511 0.167165 0.090423 0.153016 -0.018424 -0.064814 9C 3px 0.163884 -0.201781 -0.167503 -0.207948 0.334364 0.271051 9C 3py 0.191425 0.024888 0.009620 0.030632 0.124577 0.030723 9C 1dz2 -0.033549 0.082155 0.074965 0.064347 -0.054320 -0.054107 9C 1dxz -0.056915 0.086734 0.126920 0.077419 -0.066166 0.040742 9C 1dyz 0.099414 -0.035938 -0.031893 -0.029822 0.060057 0.003142 9C 1dx2y2 0.136211 -0.149701 -0.136900 -0.195413 0.185054 0.045428 9C 1dxy -0.113106 -0.011325 0.008625 0.022985 -0.022707 0.045611 9C 2dz2 0.033523 -0.097289 -0.197164 0.008298 0.106814 0.071575 9C 2dxz 0.107074 0.082372 0.038023 0.141825 -0.179179 -0.080248 9C 2dyz 0.433582 -0.239836 -0.469839 -0.279188 0.408480 0.181204 9C 2dx2y2 0.112534 -0.237523 -0.151943 -0.226992 0.256092 0.069428 9C 2dxy 0.032234 -0.039727 -0.087101 0.028826 -0.026509 -0.007632 9C 1f0 0.140084 0.022872 0.000225 -0.004021 -0.041966 -0.010071 9C 1f+1 0.050032 0.241558 0.063144 0.247412 -0.200045 -0.021259 9C 1f-1 0.089237 -0.051154 0.039775 -0.060099 0.018095 -0.015165 9C 1f+2 0.157729 -0.061232 -0.099148 -0.102700 0.113470 0.036964 9C 1f-2 -0.159630 0.140752 0.056382 0.129751 -0.082811 -0.014650 9C 1f+3 -0.204230 0.209403 0.176878 0.227255 -0.190563 -0.032865 9C 1f-3 -0.096021 0.154259 0.121401 0.200499 -0.190088 -0.039485 10H 1s 0.080607 -0.128634 0.126718 -0.141829 -0.182595 0.041748 10H 2s 0.525225 -0.604412 0.722180 -0.553929 -0.740421 0.251968 10H 3s -0.262912 0.181237 -0.267268 0.156905 0.329429 -0.173058 10H 1pz 0.178038 -0.080480 0.174440 -0.056229 -0.123469 0.057333 10H 1px -0.201980 0.297792 -0.308668 0.292706 0.333209 -0.062536 10H 1py 0.018870 0.021542 0.022657 0.035338 0.001581 0.021006 11H 1s 0.015261 0.107272 -0.115470 0.106224 0.131565 -0.032108 11H 2s 0.007383 0.366836 -0.441325 0.241372 0.318734 -0.081555 11H 3s -0.045799 -0.190392 0.134940 -0.134597 -0.132197 0.101736 11H 1pz -0.000731 0.103038 -0.145287 0.052332 0.067252 -0.013957 11H 1px -0.025931 0.153018 -0.167578 0.114891 0.147462 -0.030277 11H 1py -0.057288 -0.018038 0.008953 -0.008762 -0.019342 0.001525 12H 1s -0.141696 0.153034 -0.172987 0.146747 0.186077 -0.036689 12H 2s -0.641127 0.382683 -0.478312 0.509352 0.596145 -0.115584 12H 3s 0.226894 -0.203591 0.144195 -0.230621 -0.257162 0.118712 12H 1pz 0.140089 -0.041759 0.058620 -0.028951 -0.050095 0.006859 12H 1px -0.141802 0.129296 -0.134875 0.157037 0.186228 -0.029391 12H 1py -0.252700 0.132134 -0.166904 0.188711 0.217855 -0.024708 13H 1s 0.064751 0.166462 -0.162965 -0.149273 -0.183727 0.071110 13H 2s 0.230188 0.685095 -0.735143 -0.692349 -0.664791 0.310522 13H 3s -0.173749 -0.223451 0.288948 0.233375 0.230966 -0.160780 13H 1pz 0.074473 0.163883 -0.204385 -0.168289 -0.160507 0.064057 13H 1px -0.064636 -0.319850 0.277586 0.300718 0.275105 -0.095529 13H 1py -0.077647 -0.036448 0.121339 0.055720 0.064930 -0.022221 14H 1s -0.034203 -0.194856 0.181140 0.190727 0.173388 -0.060700 14H 2s -0.180351 -0.637768 0.666262 0.569924 0.482951 -0.163793 14H 3s 0.005855 0.263042 -0.268113 -0.262593 -0.169112 0.163061 14H 1pz -0.008135 -0.085337 0.095696 0.074897 0.046104 -0.008461 14H 1px -0.071349 -0.296793 0.296008 0.268401 0.224446 -0.064981 14H 1py -0.051229 -0.054220 0.073255 0.063528 0.069326 -0.003272 15H 1s -0.006312 -0.098487 0.079214 0.077838 0.073917 -0.034733 15H 2s -0.071267 -0.230161 0.226710 0.272491 0.296730 -0.076320 15H 3s -0.007558 0.138492 -0.052735 -0.116816 -0.125070 0.102313 15H 1pz 0.014743 0.050586 -0.039706 -0.052489 -0.073678 0.019751 15H 1px -0.022487 -0.098618 0.089343 0.100707 0.094245 -0.030883 15H 1py 0.015438 0.073055 -0.081124 -0.101420 -0.097051 0.016287 16H 1s 0.414898 0.084194 -0.154001 0.104958 0.206819 -0.070283 16H 2s 0.642694 0.145126 -0.349887 0.343292 0.363070 -0.032601 16H 3s -0.151267 -0.036700 0.066885 -0.058453 -0.006219 0.048190 16H 1pz 0.515519 0.115431 -0.220286 0.179707 0.261673 -0.058081 16H 1px -0.079655 -0.013271 0.035963 -0.053653 -0.064604 -0.055756 16H 1py 0.281686 0.052129 -0.089694 0.082089 0.137655 -0.029013 17H 1s -0.383912 -0.039820 0.171252 -0.171307 -0.191069 -0.047643 17H 2s -0.700453 -0.071692 0.042236 -0.134567 -0.368034 0.012155 17H 3s 0.148434 0.045122 -0.070699 0.023487 0.044443 0.035504 17H 1pz 0.272464 0.021931 -0.077407 0.097233 0.117667 0.058609 17H 1px 0.375416 0.034267 -0.076839 0.124198 0.209440 -0.032922 17H 1py -0.332179 -0.042079 0.124823 -0.129405 -0.169854 -0.018591 18H 1s 0.355405 0.049588 0.148779 0.198441 -0.195399 0.041095 18H 2s 0.642627 0.081473 0.034128 0.142517 -0.373529 -0.026210 18H 3s -0.138680 -0.047963 -0.066536 -0.034415 0.046023 -0.033668 18H 1pz 0.259508 0.028793 0.068574 0.113326 -0.126053 0.054584 18H 1px 0.346614 0.041464 0.063978 0.137333 -0.212267 -0.040705 18H 1py -0.298157 -0.048887 -0.106676 -0.145638 0.168228 -0.011677 19H 1s -0.384094 -0.093327 -0.142575 -0.129393 0.207215 0.077141 19H 2s -0.600980 -0.161978 -0.303568 -0.398142 0.364193 0.043869 19H 3s 0.143064 0.040235 0.057961 0.068526 -0.006163 -0.048584 19H 1pz 0.473766 0.125891 0.196183 0.211961 -0.258903 -0.065798 19H 1px -0.077674 -0.016347 -0.030981 -0.060727 0.068597 -0.052876 19H 1py 0.271440 0.060641 0.084763 0.100953 -0.143840 -0.035563 20H 1s 0.004286 0.103826 0.090480 -0.066619 0.073735 0.037145 20H 2s 0.074250 0.246079 0.266717 -0.239758 0.300799 0.086545 20H 3s 0.007816 -0.144045 -0.070214 0.110165 -0.124073 -0.106588 20H 1pz 0.017268 0.053556 0.047919 -0.046803 0.073755 0.021794 20H 1px -0.019126 -0.103510 -0.102141 0.087235 -0.094066 -0.033378 20H 1py 0.016355 0.078315 0.095413 -0.089357 0.098783 0.019817 21H 1s 0.024213 0.201549 0.201987 -0.161031 0.169076 0.063777 21H 2s 0.142620 0.661562 0.728426 -0.460239 0.468025 0.170015 21H 3s 0.010157 -0.272664 -0.298419 0.218711 -0.159556 -0.164256 21H 1pz -0.001818 -0.090888 -0.106062 0.060534 -0.045986 -0.009099 21H 1px -0.053649 -0.306780 -0.324465 0.219149 -0.217572 -0.068031 21H 1py -0.046604 -0.056020 -0.078845 0.051274 -0.068069 -0.004672 22H 1s -0.059930 -0.171968 -0.179383 0.122705 -0.179006 -0.074570 22H 2s -0.202340 -0.715128 -0.818737 0.574301 -0.650148 -0.325291 22H 3s 0.163717 0.235048 0.317281 -0.186898 0.224664 0.165225 22H 1pz 0.067772 0.170545 0.223576 -0.134342 0.156369 0.067282 22H 1px -0.050885 -0.332338 -0.313529 0.256456 -0.269689 -0.101246 22H 1py -0.076371 -0.041654 -0.129416 0.037390 -0.065572 -0.024548 23H 1s 0.136931 -0.152938 -0.139641 -0.168825 0.183381 0.042389 23H 2s 0.617243 -0.380245 -0.369846 -0.568756 0.589120 0.134920 23H 3s -0.220675 0.201031 0.096742 0.245931 -0.253469 -0.127986 23H 1pz 0.131867 -0.040519 -0.047015 -0.035503 0.048252 0.008475 23H 1px -0.134584 0.126605 0.100541 0.170957 -0.181779 -0.035452 23H 1py -0.244612 0.132598 0.129143 0.211422 -0.218041 -0.032131 24H 1s -0.008416 -0.110234 -0.096050 -0.124507 0.133820 0.037218 24H 2s 0.016969 -0.379915 -0.391589 -0.310953 0.323979 0.094465 24H 3s 0.035237 0.194367 0.109407 0.155156 -0.131783 -0.108547 24H 1pz -0.006438 0.106483 0.132015 0.074317 -0.067605 -0.015829 24H 1px -0.031791 0.157635 0.144499 0.140928 -0.149837 -0.036064 24H 1py -0.049841 -0.017467 -0.007524 -0.009610 0.019516 0.002402 25H 1s -0.078657 0.128009 0.096833 0.157629 -0.181084 -0.048960 25H 2s -0.523442 0.609759 0.601074 0.652989 -0.733558 -0.279940 25H 3s 0.265144 -0.184295 -0.229361 -0.194162 0.323399 0.185840 25H 1pz 0.176521 -0.084584 -0.159141 -0.082499 0.122537 0.062334 25H 1px -0.200299 0.298511 0.247311 0.333459 -0.331284 -0.074679 25H 1py 0.019580 0.022899 -0.026527 0.034181 -0.005052 0.020568 26O 1s -0.004247 0.006828 -0.013849 0.004459 0.003894 -0.006044 26O 2s -0.008870 0.023332 -0.041403 0.016769 0.011471 -0.018912 26O 3s -0.061926 -0.183242 0.185009 -0.163758 -0.032541 0.107254 26O 4s 0.588086 0.352373 0.099638 0.422765 -0.227792 -0.059545 26O 5s 0.426902 -0.495779 1.324545 -0.210756 0.270418 1.127491 26O 1pz -0.028057 0.015070 0.021819 0.013164 -0.011280 -0.028593 26O 1px -0.023028 0.023641 -0.031198 0.011380 0.036871 -0.030566 26O 1py -0.058596 0.027836 -0.019543 0.015361 0.001213 -0.036597 26O 2pz -0.001832 0.053342 -0.157812 0.077361 0.123242 0.076871 26O 2px -0.335191 -0.021351 -0.441109 -0.066598 0.110312 -0.120217 26O 2py -0.010560 -0.008852 -0.184991 -0.000320 0.127402 0.024096 26O 3pz -0.116534 -0.065475 0.150125 -0.108402 0.076421 0.344946 26O 3px -0.240531 0.051893 -0.308130 -0.156429 -0.039128 0.047413 26O 3py -0.234044 -0.068506 0.060620 -0.057531 0.192417 0.215611 26O 1dz2 -0.001666 -0.004005 0.003761 -0.010096 -0.011632 -0.006470 26O 1dxz -0.021214 0.029857 -0.026172 0.025790 0.025013 -0.007666 26O 1dyz -0.014734 0.003465 -0.002613 -0.002284 0.010454 -0.013443 26O 1dx2y2 -0.003877 -0.006630 -0.002612 -0.007817 -0.005894 0.003329 26O 1dxy -0.017953 0.014116 -0.023730 0.006927 0.005831 -0.004832 26O 2dz2 -0.086913 -0.022677 -0.106904 -0.047450 0.011557 0.019687 26O 2dxz 0.090076 -0.121359 0.171982 -0.113871 -0.124683 0.054959 26O 2dyz 0.003253 -0.086031 0.089293 -0.079185 -0.042893 0.054667 26O 2dx2y2 0.100698 0.049437 0.115808 0.070186 0.036784 -0.025427 26O 2dxy 0.078002 -0.028084 0.142442 -0.032914 -0.125694 0.026554 26O 1f0 -0.018204 0.028889 -0.028864 0.037554 0.032881 -0.005628 26O 1f+1 0.000102 0.000872 0.000654 -0.007091 -0.016388 0.002801 26O 1f-1 -0.001892 0.000290 0.005836 0.012983 -0.001714 0.045388 26O 1f+2 0.016103 -0.029729 0.025507 -0.026255 -0.021235 0.000180 26O 1f-2 -0.018521 -0.024475 0.008763 -0.021564 -0.016371 0.002065 26O 1f+3 0.002067 -0.031206 0.026169 -0.027880 -0.033653 0.021710 26O 1f-3 0.013301 -0.011022 0.029434 -0.001478 -0.007189 0.015032 27O 1s -0.008867 -0.006861 0.012577 0.003483 0.005780 -0.003644 27O 2s -0.026912 -0.022685 0.037409 0.010437 0.016906 -0.012294 27O 3s 0.101968 0.156907 -0.161207 -0.052741 -0.076437 0.100708 27O 4s 0.275665 -0.218139 -0.190413 0.019971 -0.068191 -0.225853 27O 5s 0.848377 0.359327 -0.917390 -0.151436 -0.363939 0.823231 27O 1pz 0.005246 -0.024945 -0.017639 0.027483 -0.000628 -0.015174 27O 1px -0.041215 -0.045398 0.039432 0.030717 0.038099 -0.027007 27O 1py 0.010730 0.021784 0.011148 -0.015413 0.044886 0.028530 27O 2pz -0.031640 0.010408 0.045173 -0.041546 0.008276 0.045894 27O 2px -0.381549 -0.005183 0.387655 0.022353 0.085612 0.037443 27O 2py 0.143700 0.093334 -0.191513 -0.066132 -0.223643 -0.069594 27O 3pz -0.048006 -0.010733 -0.002557 -0.004901 -0.163205 0.246006 27O 3px -0.506296 -0.090863 0.339535 -0.055310 0.063451 0.338385 27O 3py 0.222887 -0.014206 0.087532 0.044537 -0.006779 -0.410561 27O 1dz2 0.008680 0.007573 -0.006062 -0.004656 -0.016282 0.000997 27O 1dxz -0.000311 -0.017200 0.013529 0.017849 0.017310 -0.008090 27O 1dyz -0.008837 -0.011879 -0.002340 0.004450 -0.001361 0.009472 27O 1dx2y2 -0.014273 -0.002641 0.007458 -0.002847 -0.012768 0.011646 27O 1dxy 0.010854 0.036129 -0.038461 -0.028658 -0.022123 0.011144 27O 2dz2 -0.077780 -0.016972 0.117070 0.021919 0.011648 0.015514 27O 2dxz 0.016892 0.077505 -0.085431 -0.045386 -0.027148 0.069724 27O 2dyz 0.012019 -0.026600 -0.009315 0.014237 0.001785 -0.046826 27O 2dx2y2 0.121058 -0.030489 -0.116109 0.019362 -0.003001 -0.091714 27O 2dxy -0.088291 -0.162870 0.167032 0.151119 0.226372 -0.081683 27O 1f0 0.011493 -0.014151 0.017792 0.011497 0.020016 -0.042937 27O 1f+1 0.013596 0.014902 -0.013059 -0.016736 -0.025192 0.009094 27O 1f-1 -0.005705 -0.003427 0.015929 -0.004033 0.000402 -0.011973 27O 1f+2 0.021846 0.034240 -0.022778 -0.023835 -0.005084 -0.017959 27O 1f-2 0.012941 0.011080 -0.012927 -0.006008 0.005867 -0.006127 27O 1f+3 0.008527 0.017369 -0.029409 -0.010732 -0.020824 0.026344 27O 1f-3 0.004337 0.047972 -0.022531 -0.036692 -0.034007 0.009235 28O 1s -0.006636 -0.002375 -0.009322 -0.003935 0.000664 0.000620 28O 2s -0.020802 -0.005295 -0.030974 -0.009363 0.006857 0.002675 28O 3s 0.090718 -0.026156 0.237117 -0.036969 -0.161145 -0.042220 28O 4s 0.124715 0.318682 -0.566453 0.510580 0.693585 0.156479 28O 5s 0.464750 0.344498 0.749196 0.555966 0.558202 -0.621227 28O 1pz -0.021638 0.003783 -0.065341 0.005672 0.065716 0.001421 28O 1px 0.051445 -0.002687 0.019445 -0.005968 0.006669 0.003363 28O 1py 0.000151 -0.016049 -0.001837 0.000575 0.048063 0.011689 28O 2pz -0.133428 -0.265087 0.245820 -0.407762 -0.497149 -0.033668 28O 2px 0.139953 0.118646 0.051390 0.270534 0.203071 0.018781 28O 2py -0.020873 -0.046845 0.066660 -0.135237 -0.231716 -0.040771 28O 3pz -0.374629 -0.047108 0.084887 -0.215430 0.113143 -0.666119 28O 3px 0.281656 0.131989 0.136008 0.194521 0.287135 0.158478 28O 3py -0.179767 -0.008406 0.016293 -0.031606 0.033374 -0.352619 28O 1dz2 0.013955 -0.024609 0.014475 -0.018023 -0.015113 0.007781 28O 1dxz 0.010592 0.012914 0.011581 0.018723 0.007914 0.011099 28O 1dyz 0.007828 -0.011573 0.003206 -0.008176 -0.011842 0.012566 28O 1dx2y2 -0.018785 0.008957 -0.008992 0.004702 0.019790 -0.008130 28O 1dxy -0.002249 0.010728 -0.010083 0.015088 0.003794 0.003266 28O 2dz2 -0.043848 0.113526 -0.125447 0.110765 0.159462 -0.073367 28O 2dxz -0.062160 -0.105333 0.040540 -0.167943 -0.170514 -0.065372 28O 2dyz -0.042278 0.052756 -0.029387 0.055629 0.119688 -0.064592 28O 2dx2y2 0.102971 -0.035785 0.115197 0.016394 0.003778 0.094768 28O 2dxy 0.005719 -0.050621 0.010735 -0.073045 -0.137714 0.007737 28O 1f0 0.021689 -0.002936 0.005802 -0.000718 0.002269 -0.001756 28O 1f+1 0.017866 -0.015995 0.010753 -0.008763 -0.003835 0.001455 28O 1f-1 -0.021984 -0.007769 -0.011166 -0.022205 -0.004363 -0.039283 28O 1f+2 -0.008516 0.000882 -0.010826 0.009503 -0.004249 0.022338 28O 1f-2 0.006399 -0.009521 0.016198 -0.019622 -0.013372 -0.020053 28O 1f+3 0.014574 -0.003573 0.009531 -0.012280 0.001284 0.000793 28O 1f-3 -0.001371 0.004004 -0.022037 0.008143 0.007058 0.012353 29O 1s -0.002437 0.000346 -0.003092 0.002216 0.000255 -0.015957 29O 2s -0.008986 0.000326 -0.010369 0.008326 0.000746 -0.054245 29O 3s 0.085068 0.016535 0.075930 -0.082031 -0.003124 0.425035 29O 4s -0.206708 -0.069983 -0.179066 0.247429 0.000963 -0.688624 29O 5s 0.257415 -0.021200 0.485144 -0.474833 -0.032112 0.649144 29O 1pz -0.309890 -0.061370 0.118609 -0.104897 -0.160482 0.088507 29O 1px -0.109341 0.005434 0.040045 -0.070038 -0.051093 -0.215851 29O 1py 0.032707 -0.018313 0.021196 0.004711 0.014230 -0.004538 29O 2pz 1.336721 0.247912 -0.502266 0.464170 0.681276 -0.229898 29O 2px 0.486410 0.012283 -0.135180 0.217337 0.234054 0.497112 29O 2py -0.119959 0.053003 -0.046055 -0.032699 -0.058670 -0.015115 29O 3pz -0.004307 -0.018443 0.089468 -0.047172 0.026333 0.107272 29O 3px -0.086524 -0.008391 -0.077454 0.133877 0.001031 -0.262820 29O 3py -0.041892 -0.014617 -0.092529 0.094043 0.004944 0.007070 29O 1dz2 0.013981 0.001828 -0.002751 0.009136 0.014034 0.002883 29O 1dxz -0.017022 -0.005027 0.003876 -0.006319 -0.020898 0.008346 29O 1dyz 0.006277 0.002590 -0.004695 0.003026 -0.004588 0.005127 29O 1dx2y2 -0.003033 0.003937 0.000953 -0.012593 -0.006237 -0.016761 29O 1dxy 0.009317 -0.003840 0.015510 -0.001927 0.001427 -0.012068 29O 2dz2 -0.314143 -0.069770 0.126169 -0.083613 -0.144207 0.071455 29O 2dxz 0.264584 0.021233 -0.095105 0.103246 0.109871 0.068525 29O 2dyz -0.548515 -0.087183 0.189875 -0.187184 -0.292678 0.046990 29O 2dx2y2 0.081019 0.034751 -0.040320 -0.007780 0.034334 -0.111216 29O 2dxy -0.220052 -0.026683 0.097301 -0.100677 -0.116242 -0.081069 29O 1f0 -0.037051 -0.006364 0.005894 -0.005966 -0.015322 -0.003397 29O 1f+1 -0.029118 -0.004970 0.017132 -0.010618 -0.009562 0.005010 29O 1f-1 -0.063425 -0.016485 0.030377 -0.018826 -0.032523 0.011266 29O 1f+2 0.019006 -0.001516 -0.001994 0.004599 0.000603 0.021942 29O 1f-2 0.097482 0.016625 -0.047956 0.038665 0.048601 0.008165 29O 1f+3 -0.025203 -0.007701 0.009819 -0.000745 -0.012762 0.037178 29O 1f-3 -0.053873 0.002680 -0.001109 -0.020227 -0.024607 0.001182 30O 1s -0.001985 0.002280 0.007867 0.000429 0.002321 0.003821 30O 2s -0.003218 0.005321 0.026426 0.004188 0.010595 0.011553 30O 3s -0.050731 0.017547 -0.207703 -0.090975 -0.162214 -0.060322 30O 4s 0.372650 -0.259166 0.463699 0.380521 0.620025 0.008084 30O 5s -0.068378 -0.363225 -0.454121 0.124066 -0.085647 -0.910123 30O 1pz -0.013840 0.006800 0.029869 -0.006511 0.001589 0.024928 30O 1px 0.027083 0.019350 -0.013837 -0.015641 -0.001634 -0.004748 30O 1py 0.033139 0.015023 -0.045321 -0.007694 -0.053953 -0.011882 30O 2pz -0.036500 0.138093 -0.125863 -0.104039 -0.181523 0.000821 30O 2px 0.107940 -0.098926 -0.043072 0.091620 0.127454 -0.087218 30O 2py -0.046616 -0.293141 0.231060 0.219742 0.411235 -0.055949 30O 3pz -0.200850 0.008285 0.024030 0.013518 0.033818 -0.283037 30O 3px 0.085298 -0.133443 -0.117182 0.007196 0.096224 -0.075500 30O 3py 0.321267 -0.035589 -0.172428 -0.044401 0.161148 0.513450 30O 1dz2 0.009473 0.005810 -0.009456 -0.001410 -0.002849 -0.000257 30O 1dxz 0.003663 -0.004784 -0.013879 -0.004234 0.011996 0.006275 30O 1dyz 0.009378 -0.017007 0.004179 0.014981 0.000689 -0.016689 30O 1dx2y2 -0.002780 -0.029224 0.015866 0.026828 0.022417 -0.014202 30O 1dxy 0.004178 0.014850 -0.006079 -0.008608 -0.006604 -0.005790 30O 2dz2 0.002656 -0.004752 0.050342 0.023099 -0.021483 -0.009073 30O 2dxz -0.067087 0.000724 0.001566 -0.015777 0.003937 -0.036881 30O 2dyz 0.031076 0.125569 -0.097497 -0.110502 -0.144284 0.066012 30O 2dx2y2 0.083250 0.126436 -0.152112 -0.104667 -0.110687 0.104505 30O 2dxy 0.046285 -0.111109 0.020955 0.092963 0.172046 0.007424 30O 1f0 0.001984 -0.015751 0.004082 0.011564 0.023332 0.013715 30O 1f+1 -0.000803 -0.005952 0.005031 0.010440 0.012779 0.010982 30O 1f-1 0.011263 0.009908 -0.017147 -0.014405 -0.011968 0.005179 30O 1f+2 0.016712 0.007111 -0.008769 -0.000173 -0.009598 0.028613 30O 1f-2 -0.018579 -0.023559 0.023629 0.013596 0.019339 0.030324 30O 1f+3 0.005351 0.017555 -0.009287 -0.016961 -0.013306 -0.002837 30O 1f-3 0.004241 -0.008129 -0.001301 0.008366 0.009917 -0.001005 31O 1s 0.002189 -0.002014 0.007985 0.000766 0.002567 -0.003659 31O 2s 0.003823 -0.004380 0.027179 -0.000176 0.011347 -0.010986 31O 3s 0.046324 -0.025994 -0.220961 0.059593 -0.166273 0.054635 31O 4s -0.363185 0.280757 0.514934 -0.310909 0.621956 0.009652 31O 5s 0.043879 0.357195 -0.440307 -0.193682 -0.117888 0.898867 31O 1pz -0.013974 0.005793 -0.030024 -0.010358 -0.003300 0.025011 31O 1px 0.024745 0.020373 0.016925 -0.013896 0.002284 -0.004798 31O 1py 0.035221 0.016055 0.046635 -0.001096 0.054433 -0.010631 31O 2pz -0.035521 0.144798 0.140821 -0.086846 0.181960 0.004160 31O 2px 0.108820 -0.100658 0.027381 0.100120 -0.124611 -0.088857 31O 2py -0.049226 -0.301977 -0.257444 0.184570 -0.406667 -0.064751 31O 3pz -0.204420 0.009429 -0.031168 0.011780 -0.027319 -0.283209 31O 3px 0.087352 -0.132965 0.122070 0.026017 -0.092615 -0.077228 31O 3py 0.316373 -0.032869 0.186467 -0.019827 -0.174906 0.503336 31O 1dz2 -0.009104 -0.006169 -0.009543 -0.000006 -0.002768 0.000232 31O 1dxz -0.003212 0.004436 -0.014470 0.001996 0.012071 -0.005882 31O 1dyz -0.011330 0.017336 0.005908 -0.014245 -0.000083 0.016383 31O 1dx2y2 0.001285 0.029927 0.018692 -0.024080 0.021584 0.014647 31O 1dxy -0.003669 -0.015065 -0.006854 0.007649 -0.006428 0.005841 31O 2dz2 -0.003699 0.006686 0.052994 -0.015042 -0.021512 0.008305 31O 2dxz 0.066273 -0.001890 -0.001624 0.016664 0.002927 0.037947 31O 2dyz -0.030114 -0.129771 -0.109918 0.094869 -0.140781 -0.068408 31O 2dx2y2 -0.078543 -0.131273 -0.163152 0.079951 -0.106088 -0.106416 31O 2dxy -0.046511 0.112837 0.031654 -0.089197 0.170589 -0.003400 31O 1f0 0.002081 -0.015781 -0.004791 0.010732 -0.023190 0.012977 31O 1f+1 -0.001174 -0.006168 -0.006484 0.009618 -0.013093 0.010587 31O 1f-1 0.010499 0.010278 0.018702 -0.011493 0.011545 0.005238 31O 1f+2 0.016000 0.006989 0.008178 0.001434 0.008411 0.028732 31O 1f-2 -0.017788 -0.024548 -0.024960 0.009957 -0.020058 0.029659 31O 1f+3 0.004612 0.017668 0.010918 -0.015142 0.012844 -0.002713 31O 1f-3 0.005531 -0.008045 0.000480 0.008435 -0.009718 -0.001191 32O 1s 0.002244 -0.000430 -0.002539 -0.002689 -0.000243 0.015973 32O 2s 0.008334 -0.000611 -0.008350 -0.009903 -0.000941 0.054308 32O 3s -0.080153 -0.014350 0.057266 0.093430 0.009918 -0.425723 32O 4s 0.196301 0.065002 -0.129158 -0.273663 -0.020652 0.689884 32O 5s -0.234113 0.032041 0.395766 0.547289 -0.007383 -0.648438 32O 1pz -0.288831 -0.067997 -0.105255 -0.123939 0.160418 0.093180 32O 1px -0.099742 0.003446 -0.031174 -0.075580 0.057605 -0.214436 32O 1py 0.023097 -0.019912 -0.023883 -0.001311 -0.010890 -0.004712 32O 2pz 1.244379 0.276808 0.444595 0.544998 -0.685017 -0.250665 32O 2px 0.443194 0.020305 0.108404 0.236196 -0.249626 0.490025 32O 2py -0.077499 0.058703 0.059637 -0.012690 0.044292 -0.014169 32O 3pz -0.002369 -0.021263 -0.079447 -0.061405 -0.029091 0.105880 32O 3px -0.080198 -0.006270 0.054002 0.144568 0.007958 -0.262942 32O 3py -0.038533 -0.013373 0.074109 0.107453 -0.005327 0.007596 32O 1dz2 -0.012783 -0.001921 -0.001442 -0.009402 0.014341 -0.002276 32O 1dxz 0.016161 0.005230 0.003192 0.006939 -0.020764 -0.009108 32O 1dyz -0.006168 -0.002882 -0.004170 -0.003621 -0.004381 -0.005006 32O 1dx2y2 0.002874 -0.003814 -0.000692 0.012656 -0.006557 0.016543 32O 1dxy -0.008588 0.004184 0.015035 0.004364 0.000939 0.012103 32O 2dz2 0.269599 0.072658 0.109026 0.094125 -0.130923 -0.074441 32O 2dxz -0.254705 -0.029531 -0.086161 -0.123424 0.120204 -0.064794 32O 2dyz 0.516515 0.101063 0.171072 0.221087 -0.299253 -0.057410 32O 2dx2y2 -0.089034 -0.039192 -0.045688 -0.004854 0.039289 0.112771 32O 2dxy 0.192669 0.030499 0.081403 0.111613 -0.115290 0.077424 32O 1f0 -0.031493 -0.006001 -0.004093 -0.005883 0.014117 -0.003377 32O 1f+1 -0.029078 -0.006292 -0.016894 -0.014690 0.010848 0.005324 32O 1f-1 -0.059448 -0.018348 -0.028223 -0.023439 0.032849 0.012946 32O 1f+2 0.017382 -0.000702 0.002163 0.004737 -0.001440 0.021197 32O 1f-2 0.090783 0.019267 0.042896 0.045972 -0.049644 0.005851 32O 1f+3 -0.019598 -0.007772 -0.008387 -0.000654 0.010012 0.037968 32O 1f-3 -0.050915 0.001911 0.003361 -0.020428 0.025533 0.002281 33O 1s 0.006708 0.002030 -0.009733 0.002449 0.000654 -0.000584 33O 2s 0.021172 0.004209 -0.031766 0.004455 0.006877 -0.002356 33O 3s -0.096376 0.032964 0.227533 0.073903 -0.162921 0.035135 33O 4s -0.105430 -0.330148 -0.485360 -0.596179 0.703213 -0.126580 33O 5s -0.450391 -0.314923 0.820616 -0.442734 0.545815 0.633579 33O 1pz -0.023523 0.005344 0.062455 0.015338 -0.065508 -0.000891 33O 1px 0.050854 -0.003327 -0.017700 -0.009363 -0.006217 0.002729 33O 1py -0.002127 -0.015292 0.002701 0.001586 -0.049214 0.009378 33O 2pz -0.125236 -0.264494 -0.176911 -0.440266 0.499110 -0.015324 33O 2px 0.133390 0.115479 -0.086186 0.264030 -0.208277 0.011004 33O 2py -0.014996 -0.049635 -0.046578 -0.147462 0.237394 -0.030676 33O 3pz -0.381691 -0.048082 -0.063357 -0.230169 -0.090907 -0.667828 33O 3px 0.271894 0.125330 -0.157367 0.174740 -0.293792 0.148499 33O 3py -0.174665 -0.008992 -0.018478 -0.033799 -0.022906 -0.354130 33O 1dz2 -0.013403 0.024296 0.010266 0.019558 -0.014709 -0.008363 33O 1dxz -0.010721 -0.012217 0.014238 -0.016668 0.008316 -0.010830 33O 1dyz -0.007971 0.011575 0.001507 0.008586 -0.011643 -0.013065 33O 1dx2y2 0.018914 -0.009036 -0.007455 -0.005842 0.019490 0.008797 33O 1dxy 0.001585 -0.010738 -0.007256 -0.016460 0.004000 -0.003076 33O 2dz2 0.043231 -0.113019 -0.101034 -0.126211 0.155867 0.079072 33O 2dxz 0.060274 0.103096 0.013618 0.172232 -0.173043 0.058207 33O 2dyz 0.043904 -0.053252 -0.017927 -0.060209 0.118909 0.069053 33O 2dx2y2 -0.097598 0.037780 0.110722 -0.000560 0.007980 -0.094299 33O 2dxy -0.010271 0.051218 -0.000743 0.075522 -0.139689 -0.013150 33O 1f0 0.020242 -0.002527 -0.005091 -0.001093 -0.002645 -0.001940 33O 1f+1 0.016865 -0.015385 -0.008016 -0.009406 0.003244 0.001538 33O 1f-1 -0.021740 -0.007055 0.013703 -0.020363 0.005692 -0.039081 33O 1f+2 -0.007788 0.001336 0.009038 0.011441 0.003186 0.022422 33O 1f-2 0.006090 -0.009758 -0.012508 -0.021793 0.013982 -0.019566 33O 1f+3 0.011873 -0.003233 -0.006729 -0.013129 -0.001693 0.000843 33O 1f-3 -0.001275 0.004416 0.020288 0.011241 -0.007224 0.012151 34O 1s 0.008571 0.007350 0.012923 -0.001603 0.005671 0.003816 34O 2s 0.025887 0.024207 0.038414 -0.004904 0.016532 0.012782 34O 3s -0.093384 -0.165309 -0.165179 0.030434 -0.072987 -0.102839 34O 4s -0.295395 0.220260 -0.194861 -0.055493 -0.077364 0.224663 34O 5s -0.834652 -0.388906 -0.940174 0.012751 -0.337754 -0.834247 34O 1pz 0.009048 -0.024723 0.014591 0.029835 0.001128 -0.015285 34O 1px -0.040083 -0.047380 -0.042576 0.024329 -0.037347 -0.028474 34O 1py 0.006255 0.022373 -0.008688 -0.017047 -0.045132 0.027710 34O 2pz -0.037801 0.009481 -0.040141 -0.047761 -0.008695 0.046813 34O 2px -0.384112 -0.013843 -0.394335 -0.038089 -0.088234 0.036338 34O 2py 0.149617 0.096675 0.196707 -0.035361 0.222267 -0.066141 34O 3pz -0.037408 -0.012648 0.004046 -0.005863 0.155896 0.253484 34O 3px -0.506640 -0.101423 -0.332972 -0.110694 -0.074286 0.336232 34O 3py 0.223176 -0.014534 -0.089931 0.032619 0.021570 -0.408953 34O 1dz2 -0.008346 -0.007813 -0.006495 0.003725 -0.016260 -0.001637 34O 1dxz -0.000350 0.017853 0.015635 -0.015625 0.016886 0.008528 34O 1dyz 0.008390 0.011837 -0.001863 -0.004797 -0.001084 -0.009575 34O 1dx2y2 0.013901 0.002894 0.007211 0.003981 -0.012209 -0.012058 34O 1dxy -0.009051 -0.037550 -0.041374 0.022474 -0.021397 -0.011548 34O 2dz2 0.077909 0.020335 0.120155 -0.003245 0.012333 -0.015497 34O 2dxz -0.013701 -0.080966 -0.090097 0.032220 -0.023798 -0.069419 34O 2dyz -0.012602 0.026436 -0.007758 -0.015656 -0.000002 0.046904 34O 2dx2y2 -0.122749 0.028197 -0.114671 -0.037746 -0.006992 0.091043 34O 2dxy 0.086496 0.168173 0.183638 -0.123414 0.221426 0.087027 34O 1f0 0.011794 -0.015238 -0.019364 0.008931 -0.018816 -0.043658 34O 1f+1 0.013792 0.015190 0.015201 -0.014475 0.024769 0.009689 34O 1f-1 -0.005239 -0.003761 -0.015011 -0.006556 0.000188 -0.011895 34O 1f+2 0.020007 0.035310 0.025705 -0.020252 0.005447 -0.018191 34O 1f-2 0.011329 0.011719 0.013648 -0.004089 -0.005433 -0.006245 34O 1f+3 0.008693 0.018785 0.030696 -0.006504 0.020121 0.026973 34O 1f-3 0.001959 0.049060 0.026420 -0.032892 0.033109 0.009847 35O 1s 0.004099 -0.007164 -0.012643 -0.006497 0.003747 0.006151 35O 2s 0.008460 -0.024324 -0.037264 -0.022841 0.011072 0.019231 35O 3s 0.064235 0.187063 0.152805 0.190421 -0.031920 -0.108050 35O 4s -0.593472 -0.346648 0.159987 -0.406072 -0.219631 0.051744 35O 5s -0.399148 0.532989 1.246991 0.402082 0.304046 -1.120410 35O 1pz -0.028489 0.014753 -0.024161 0.009934 0.011415 -0.028383 35O 1px -0.024406 0.024475 0.026571 0.015858 -0.036578 -0.032180 35O 1py -0.056927 0.027766 0.014060 0.017659 -0.000358 -0.036576 35O 2pz 0.002305 0.054294 0.139825 0.097557 -0.122316 0.072861 35O 2px -0.330334 -0.008254 0.440057 -0.000956 -0.101366 -0.122743 35O 2py -0.016144 -0.002071 0.184223 0.028229 -0.126721 0.019204 35O 3pz -0.126348 -0.068135 -0.133046 -0.128713 -0.086293 0.339005 35O 3px -0.241578 0.062867 0.316718 -0.111770 0.039343 0.044438 35O 3py -0.246539 -0.068650 -0.057298 -0.067538 -0.198863 0.206882 35O 1dz2 0.000835 0.004224 0.002185 0.010595 -0.011917 0.006168 35O 1dxz 0.020294 -0.029807 -0.020357 -0.029054 0.024672 0.008467 35O 1dyz 0.014368 -0.003226 -0.002407 0.001986 0.009963 0.013716 35O 1dx2y2 0.003611 0.006496 -0.003740 0.007413 -0.006007 -0.003622 35O 1dxy 0.017241 -0.014585 -0.021636 -0.010481 0.005751 0.005008 35O 2dz2 0.085838 0.019292 -0.111270 0.031170 0.010942 -0.019186 35O 2dxz -0.085568 0.122459 0.145602 0.136606 -0.121807 -0.059636 35O 2dyz -0.001284 0.086567 0.072887 0.090967 -0.041139 -0.056368 35O 2dx2y2 -0.097371 -0.045485 0.123828 -0.052886 0.038026 0.026910 35O 2dxy -0.081656 0.032658 0.133363 0.054614 -0.125091 -0.031044 35O 1f0 -0.016680 0.028673 0.021150 0.040984 -0.032434 -0.006647 35O 1f+1 0.000870 0.000268 0.000284 -0.007755 0.016914 0.003491 35O 1f-1 -0.002085 -0.000063 -0.007853 0.011630 0.000670 0.045457 35O 1f+2 0.016073 -0.030294 -0.020257 -0.030022 0.021650 0.000982 35O 1f-2 -0.018102 -0.023986 -0.005150 -0.022460 0.016310 0.002731 35O 1f+3 0.002846 -0.031601 -0.020813 -0.031720 0.033441 0.022878 35O 1f-3 0.013268 -0.011407 -0.027778 -0.005336 0.006299 0.015242 582 583 584 585 586 587 4.08617 4.12088 4.14108 4.14702 4.16461 4.18945 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s -0.000949 -0.000596 -0.006509 -0.001323 0.015233 0.028450 0Rh 2s 0.009041 0.005489 0.059388 0.011935 -0.138784 -0.258290 0Rh 3s -0.000241 -0.000266 -0.003238 -0.000740 0.007733 0.015042 0Rh 4s -0.050538 -0.030654 -0.332980 -0.067009 0.779328 1.451864 0Rh 5s 0.119068 0.070495 0.776071 0.156457 -1.822013 -3.393955 0Rh 6s -0.125669 -0.065565 -0.762761 -0.155024 1.808969 3.343251 0Rh 7s 0.263809 0.097083 0.966263 0.182494 -2.130776 -4.466100 0Rh 8s -0.076203 0.063899 0.243012 0.023161 -0.076548 -1.080060 0Rh 1pz 0.000166 -0.000902 -0.002961 -0.003463 0.001395 0.005536 0Rh 1px 0.001071 0.001886 -0.001449 -0.001871 0.005111 -0.019436 0Rh 1py -0.002775 -0.001438 -0.001659 0.001427 0.000688 -0.005403 0Rh 2pz -0.000670 0.003685 0.011100 0.013438 -0.005770 -0.021877 0Rh 2px -0.004200 -0.007453 0.005653 0.007352 -0.019853 0.076404 0Rh 2py 0.011441 0.005212 0.006317 -0.005234 -0.002643 0.021218 0Rh 3pz 0.002079 -0.011821 -0.013624 -0.027768 0.019474 0.054258 0Rh 3px 0.009685 0.018289 -0.011900 -0.017011 0.041662 -0.179847 0Rh 3py -0.038488 -0.002084 -0.010101 0.003571 0.004933 -0.049311 0Rh 4pz -0.004304 0.020013 -0.048918 -0.001676 -0.032318 -0.042575 0Rh 4px -0.003804 -0.011569 -0.002125 0.006469 -0.001678 0.098541 0Rh 4py 0.066814 -0.044250 -0.016273 0.037628 0.002679 0.023743 0Rh 5pz 0.013562 -0.034467 0.164564 0.057494 0.043093 0.023262 0Rh 5px -0.012749 -0.007723 0.034437 0.018325 -0.082842 0.044260 0Rh 5py -0.097966 0.126017 0.068836 -0.111412 -0.020167 0.021514 0Rh 6pz -0.110620 0.309619 -0.603160 -0.170708 -0.045371 -0.771976 0Rh 6px 0.085994 -0.018514 -0.264609 -0.040152 0.007524 2.055765 0Rh 6py 0.191475 -0.542427 -0.382557 0.332880 0.128596 0.516468 0Rh 1dz2 0.051042 0.036504 0.025002 0.074457 0.010100 -0.003796 0Rh 1dxz -0.009503 -0.002772 -0.060245 -0.032603 0.018833 -0.032184 0Rh 1dyz 0.107805 0.127224 -0.023762 0.113152 -0.022729 0.002332 0Rh 1dx2y2 0.011154 0.040058 -0.009244 -0.008985 -0.038302 0.021707 0Rh 1dxy 0.072007 -0.003491 -0.038817 0.087935 -0.020321 -0.005916 0Rh 2dz2 0.006024 0.008205 0.002070 0.013181 0.003592 -0.000195 0Rh 2dxz -0.000918 -0.001067 -0.006753 -0.003652 0.004346 -0.003327 0Rh 2dyz 0.012684 0.024844 -0.003932 0.024281 -0.003574 0.000563 0Rh 2dx2y2 0.000577 0.006421 -0.001125 0.000610 -0.009834 0.002283 0Rh 2dxy 0.011736 0.003784 -0.004543 0.014388 -0.004460 -0.000605 0Rh 3dz2 -0.224012 -0.179648 -0.105824 -0.350832 -0.056349 0.015294 0Rh 3dxz 0.040753 0.015815 0.264981 0.143530 -0.094253 0.140782 0Rh 3dyz -0.473032 -0.607889 0.110897 -0.554072 0.105287 -0.011880 0Rh 3dx2y2 -0.045614 -0.184621 0.040559 0.031434 0.195764 -0.094523 0Rh 3dxy -0.331103 -0.004866 0.171477 -0.408841 0.100406 0.026327 0Rh 4dz2 0.325910 0.298409 0.139074 0.557294 0.105733 -0.019282 0Rh 4dxz -0.057267 -0.031420 -0.381807 -0.208167 0.163799 -0.203372 0Rh 4dyz 0.689564 0.973372 -0.177248 0.924963 -0.165356 0.020782 0Rh 4dx2y2 0.061121 0.282208 -0.054081 -0.026988 -0.342342 0.135167 0Rh 4dxy 0.505274 0.052133 -0.247512 0.637055 -0.170695 -0.039628 0Rh 5dz2 -0.376274 -0.398962 -0.017447 -0.637502 -0.209719 0.023576 0Rh 5dxz 0.054373 0.077650 0.269092 0.163302 -0.297594 0.181772 0Rh 5dyz -0.831026 -1.137405 0.211749 -1.238036 0.197321 -0.034808 0Rh 5dx2y2 -0.069506 -0.274461 -0.005929 -0.060285 0.592310 -0.144966 0Rh 5dxy -0.608619 -0.255484 0.161266 -0.657269 0.277704 0.018475 0Rh 1f0 -0.000886 -0.015519 -0.010906 -0.002691 0.001182 0.016267 0Rh 1f+1 0.004027 0.010268 -0.010488 0.001484 0.005225 -0.015282 0Rh 1f-1 -0.009626 -0.015793 -0.025721 -0.001669 0.001571 -0.003973 0Rh 1f+2 -0.001927 -0.020042 0.024621 0.007460 0.000512 -0.014762 0Rh 1f-2 0.000433 0.007957 -0.000738 0.027959 0.000978 -0.005160 0Rh 1f+3 0.006481 0.009884 0.000095 -0.010490 0.003697 -0.024614 0Rh 1f-3 -0.025014 -0.027475 -0.005184 0.001642 0.000596 -0.019801 1Rh 1s -0.000811 0.000688 0.006295 0.001134 0.015813 -0.028248 1Rh 2s 0.007760 -0.006285 -0.057546 -0.010260 -0.144046 0.256448 1Rh 3s -0.000185 0.000335 0.003063 0.000620 0.008039 -0.014935 1Rh 4s -0.043389 0.035113 0.322641 0.057606 0.808875 -1.441518 1Rh 5s 0.102511 -0.080734 -0.752364 -0.134645 -1.890972 3.369758 1Rh 6s -0.109623 0.075027 0.741093 0.133984 1.876748 -3.319233 1Rh 7s 0.243716 -0.102676 -0.952106 -0.158960 -2.218969 4.437511 1Rh 8s -0.079919 -0.068600 -0.236303 -0.022950 -0.099760 1.078181 1Rh 1pz -0.000157 -0.000884 -0.003032 -0.003467 -0.001524 0.005509 1Rh 1px -0.001056 0.001831 -0.001303 -0.001817 -0.004905 -0.019491 1Rh 1py 0.002707 -0.001519 -0.001629 0.001453 -0.000587 -0.005334 1Rh 2pz 0.000634 0.003616 0.011375 0.013452 0.006266 -0.021771 1Rh 2px 0.004127 -0.007247 0.005096 0.007147 0.019050 0.076619 1Rh 2py -0.011185 0.005532 0.006204 -0.005345 0.002251 0.020943 1Rh 3pz -0.001977 -0.011678 -0.014145 -0.027755 -0.020388 0.054024 1Rh 3px -0.009197 0.017958 -0.010967 -0.016697 -0.039869 -0.180316 1Rh 3py 0.038101 -0.002851 -0.009994 0.003994 -0.004086 -0.048594 1Rh 4pz 0.004082 0.020000 -0.049169 -0.001796 0.031698 -0.042635 1Rh 4px 0.002329 -0.012024 -0.001121 0.006948 0.000937 0.098570 1Rh 4py -0.067437 -0.043840 -0.015691 0.036716 -0.002821 0.023148 1Rh 5pz -0.012837 -0.034678 0.166378 0.057512 -0.039756 0.024083 1Rh 5px 0.014922 -0.005835 0.030214 0.016640 0.082437 0.045325 1Rh 5py 0.100037 0.126660 0.067121 -0.109686 0.019104 0.021586 1Rh 6pz 0.109487 0.312166 -0.611460 -0.168163 0.042906 -0.762180 1Rh 6px -0.079383 -0.021662 -0.260837 -0.040643 -0.045115 2.059360 1Rh 6py -0.199501 -0.545264 -0.379490 0.327127 -0.134022 0.510085 1Rh 1dz2 0.052004 -0.036615 -0.025839 -0.073645 0.009123 0.002695 1Rh 1dxz -0.008631 0.003033 0.060979 0.032398 0.019485 0.032703 1Rh 1dyz 0.109610 -0.128030 0.021578 -0.112003 -0.022623 -0.005719 1Rh 1dx2y2 0.009988 -0.040056 0.008721 0.008833 -0.037329 -0.022540 1Rh 1dxy 0.073496 0.003567 0.037551 -0.086659 -0.020799 0.004493 1Rh 2dz2 0.006236 -0.008225 -0.002213 -0.013096 0.003472 0.000012 1Rh 2dxz -0.000772 0.001110 0.006830 0.003617 0.004406 0.003419 1Rh 2dyz 0.013062 -0.024955 0.003622 -0.024162 -0.003585 -0.001168 1Rh 2dx2y2 0.000416 -0.006436 0.001082 -0.000613 -0.009723 -0.002486 1Rh 2dxy 0.011954 -0.003801 0.004348 -0.014175 -0.004516 0.000361 1Rh 3dz2 -0.228710 0.180169 0.109753 0.347294 -0.052007 -0.010126 1Rh 3dxz 0.036716 -0.017031 -0.268173 -0.142560 -0.097078 -0.143262 1Rh 3dyz -0.481750 0.611537 -0.100971 0.549066 0.104929 0.027990 1Rh 3dx2y2 -0.040379 0.184699 -0.038360 -0.030851 0.191498 0.098759 1Rh 3dxy -0.337833 0.004657 -0.165665 0.402890 0.102537 -0.019593 1Rh 4dz2 0.333708 -0.299215 -0.145466 -0.552201 0.099425 0.010990 1Rh 4dxz -0.050948 0.033364 0.386273 0.206531 0.167805 0.207496 1Rh 4dyz 0.703698 -0.978919 0.161949 -0.917649 -0.165065 -0.047046 1Rh 4dx2y2 0.053128 -0.282570 0.051243 0.026445 -0.336272 -0.142601 1Rh 4dxy 0.515106 -0.052079 0.238620 -0.627680 -0.173863 0.028637 1Rh 5dz2 -0.387869 0.399727 0.027781 0.632686 -0.205055 -0.013349 1Rh 5dxz 0.045538 -0.080513 -0.271183 -0.160067 -0.299056 -0.187754 1Rh 5dyz -0.848561 1.143708 -0.191909 1.228889 0.198074 0.069879 1Rh 5dx2y2 -0.057993 0.276536 0.005501 0.057921 0.587613 0.157368 1Rh 5dxy -0.615131 0.256741 -0.151567 0.644943 0.279937 -0.003487 1Rh 1f0 0.001175 -0.015556 -0.010841 -0.002854 -0.001509 0.016276 1Rh 1f+1 -0.004458 0.010333 -0.010279 0.001395 -0.005053 -0.015379 1Rh 1f-1 0.009626 -0.015812 -0.025777 -0.001572 -0.001854 -0.003838 1Rh 1f+2 0.001766 -0.020074 0.024639 0.007467 0.000576 -0.014753 1Rh 1f-2 -0.001090 0.007863 -0.000726 0.027987 -0.000530 -0.005419 1Rh 1f+3 -0.006647 0.009856 0.000134 -0.010602 -0.003437 -0.024601 1Rh 1f-3 0.024682 -0.027389 -0.005393 0.002149 0.000003 -0.019610 2C 1s -0.003509 -0.002572 -0.016627 0.000805 0.009658 -0.001473 2C 2s -0.010836 -0.006918 -0.045838 0.003312 0.029282 -0.004958 2C 3s 0.223009 0.053772 0.311872 -0.049428 -0.395156 0.069148 2C 4s -1.073015 -0.000063 0.159551 0.133059 0.947518 -0.088297 2C 5s -0.139667 -0.675868 -1.138583 -0.167929 0.492304 -0.580449 2C 1pz 0.065485 0.051989 0.228166 -0.025959 -0.177889 0.043421 2C 1px 0.008596 0.022372 0.050418 0.002357 -0.046531 0.009899 2C 1py 0.050694 0.023246 0.163876 -0.000220 -0.121574 0.032658 2C 2pz -0.816936 -0.171021 -0.693927 0.178127 1.161271 -0.206273 2C 2px 0.161042 -0.384548 -0.308834 -0.197464 0.308809 0.257711 2C 2py -0.360081 0.035165 -0.237643 -0.146626 0.626036 0.028623 2C 3pz -0.047003 -0.154896 -0.175984 -0.005521 0.115346 -0.127661 2C 3px -0.201453 0.013819 -0.119598 0.082051 0.002207 0.008890 2C 3py -0.054505 -0.055717 -0.211821 -0.024964 0.132920 -0.074672 2C 1dz2 -0.012556 0.019518 0.033360 -0.023186 0.003851 0.038513 2C 1dxz 0.055111 0.068488 0.187633 -0.020131 -0.063311 -0.033963 2C 1dyz 0.031173 -0.028481 0.064172 -0.035893 -0.001193 0.033410 2C 1dx2y2 0.063516 -0.019315 0.008559 -0.039133 -0.028536 0.032398 2C 1dxy 0.015415 -0.004668 0.045661 0.002625 -0.012052 -0.041348 2C 2dz2 -0.108429 -0.095660 -0.187385 0.099470 0.301700 -0.045749 2C 2dxz -0.183311 -0.036811 -0.133014 0.036401 0.155118 -0.061179 2C 2dyz -0.182637 -0.096730 -0.530238 -0.039995 0.577094 0.006945 2C 2dx2y2 0.177004 -0.080563 0.100425 -0.018540 -0.130866 0.159626 2C 2dxy -0.169350 -0.105357 -0.318853 0.036457 0.245557 -0.063184 2C 1f0 0.069502 -0.002097 0.112928 0.034885 -0.057223 0.058997 2C 1f+1 0.180699 -0.022165 0.183975 -0.039950 -0.080930 0.062272 2C 1f-1 -0.181208 -0.040603 -0.342770 0.064418 0.259795 -0.107737 2C 1f+2 -0.034271 -0.018039 -0.007056 0.009731 -0.010149 -0.026580 2C 1f-2 0.120483 0.022442 0.227755 -0.021218 -0.096129 0.034559 2C 1f+3 0.055489 -0.051302 -0.123313 -0.033647 0.102578 0.008130 2C 1f-3 0.104903 0.005351 0.024821 -0.029662 -0.015515 0.044637 3C 1s 0.004603 0.012582 -0.002557 -0.011131 0.012286 0.000897 3C 2s 0.013968 0.034745 -0.007488 -0.031552 0.036923 0.001825 3C 3s -0.234493 -0.270042 0.073708 0.212266 -0.434842 0.031189 3C 4s 0.987228 0.083540 -0.076433 0.196028 0.776479 -0.225897 3C 5s 0.275868 0.927964 -0.413917 -0.744977 0.303343 -0.251240 3C 1pz -0.059969 -0.114305 0.013739 0.100482 -0.123826 0.003106 3C 1px -0.033864 -0.086033 0.018782 0.055804 -0.093184 0.004483 3C 1py 0.079554 0.182177 -0.058504 -0.155293 0.219362 -0.007480 3C 2pz 0.421528 0.052592 0.183943 -0.054072 0.459854 -0.124728 3C 2px -0.256914 0.408330 -0.068833 0.119104 0.431884 0.342040 3C 2py -0.848387 -0.690256 0.313787 0.503954 -1.336069 0.122732 3C 3pz -0.028233 0.164601 -0.013913 -0.085038 0.122889 -0.042187 3C 3px 0.267908 0.052053 -0.063161 -0.168336 0.025129 0.026876 3C 3py -0.095368 -0.148755 0.099666 0.124245 -0.016612 0.082838 3C 1dz2 0.021579 0.035778 -0.020854 -0.035251 0.028746 0.013149 3C 1dxz 0.085180 -0.033085 0.000611 -0.021251 0.021915 -0.076729 3C 1dyz -0.006643 -0.033651 0.043329 0.005007 -0.045641 -0.048773 3C 1dx2y2 0.024252 0.088483 -0.039554 -0.070476 0.030232 -0.037023 3C 1dxy 0.105115 0.110626 -0.054512 -0.122989 0.070099 0.035098 3C 2dz2 -0.136298 -0.179299 0.172707 0.143076 -0.244720 0.017980 3C 2dxz 0.334535 0.174025 -0.003079 -0.200795 0.258626 -0.163841 3C 2dyz -0.151892 -0.445405 0.082367 0.317590 -0.658177 -0.071589 3C 2dx2y2 -0.094940 -0.050599 0.050610 0.068485 -0.228028 0.049464 3C 2dxy -0.183852 -0.264084 0.064804 0.147378 -0.362541 -0.043814 3C 1f0 -0.069642 -0.191322 0.052582 0.162414 -0.243868 -0.004090 3C 1f+1 -0.134366 -0.066440 0.036216 0.060937 -0.072985 0.050849 3C 1f-1 -0.214514 -0.279784 0.027533 0.260189 -0.267056 0.019113 3C 1f+2 -0.178616 -0.055553 0.017481 0.122362 -0.100524 0.054475 3C 1f-2 0.134375 0.047210 -0.018954 -0.085563 0.032431 -0.039974 3C 1f+3 -0.033717 0.025958 -0.020448 -0.014562 0.076742 -0.019613 3C 1f-3 0.076248 0.021967 0.027841 0.011480 -0.018791 -0.057640 4C 1s 0.008922 -0.001556 -0.007970 -0.000368 0.004493 -0.001434 4C 2s 0.019410 -0.003928 -0.023344 0.000819 0.008030 -0.003850 4C 3s 0.041506 0.145169 0.822397 -0.149319 -0.034366 0.146355 4C 4s -0.767355 -0.460674 -2.430292 0.646131 -0.764005 -0.456195 4C 5s 0.070600 0.066809 -0.460272 0.183866 -0.044400 0.189925 4C 1pz 0.045872 0.009602 -0.072520 0.038442 0.040113 -0.028947 4C 1px 0.012669 -0.090661 -0.020044 -0.083439 0.004449 0.064076 4C 1py 0.029286 -0.016876 -0.051585 -0.017436 0.022992 0.004481 4C 2pz -1.235143 -0.485704 -1.153531 -0.153564 1.135763 -0.475265 4C 2px -0.088966 0.686719 -0.737500 1.052188 0.289204 0.633600 4C 2py -0.736181 -0.120787 -0.895686 0.393054 0.760333 -0.026435 4C 3pz -0.359514 -0.347490 -0.603943 -0.097251 -0.101317 -0.364346 4C 3px -0.049605 0.169449 -0.229410 0.200628 0.009681 0.212346 4C 3py -0.255670 -0.300359 -0.390664 0.152975 -0.094035 -0.135310 4C 1dz2 0.000893 0.042728 0.202249 -0.053599 -0.110980 -0.023812 4C 1dxz 0.142445 0.093426 0.219971 0.014516 -0.126652 0.160790 4C 1dyz -0.090648 0.028979 0.151585 0.016651 -0.119385 0.037489 4C 1dx2y2 -0.111162 -0.027554 -0.215826 0.016868 0.095794 -0.028037 4C 1dxy -0.045900 0.029683 -0.026210 0.048769 -0.021569 0.085276 4C 2dz2 0.278370 -0.101127 0.058314 -0.045471 -0.179823 -0.111823 4C 2dxz 0.134456 -0.014544 -0.179155 0.116277 0.001085 0.184234 4C 2dyz 0.229995 -0.027937 -0.436734 -0.017495 -0.114565 -0.117354 4C 2dx2y2 -0.278771 -0.116756 -0.235045 0.162262 0.138362 -0.043072 4C 2dxy 0.028002 -0.048860 -0.429183 0.151705 0.099173 0.088328 4C 1f0 0.229574 0.093648 0.284899 -0.052088 -0.138185 0.056862 4C 1f+1 0.044323 0.092854 0.306197 -0.059093 -0.157604 0.054026 4C 1f-1 -0.001176 -0.026564 0.086613 -0.062524 0.002261 -0.013279 4C 1f+2 -0.289652 -0.112567 -0.457137 -0.030746 0.220470 -0.123031 4C 1f-2 -0.149196 -0.005306 -0.202560 0.064258 0.113448 -0.005626 4C 1f+3 -0.110961 -0.064644 -0.096219 -0.046260 0.069391 -0.051024 4C 1f-3 0.182917 0.007118 0.448680 -0.121775 -0.216434 0.049348 5C 1s -0.007765 0.006404 -0.001656 -0.006996 0.010206 0.001639 5C 2s -0.015712 0.018599 -0.004621 -0.019760 0.021196 0.003286 5C 3s -0.107345 -0.615629 0.168517 0.561245 -0.217402 0.025999 5C 4s 0.886173 1.800770 -0.542472 -1.536426 -0.467084 -0.211588 5C 5s -0.028711 0.422050 -0.035039 -0.256379 0.193264 0.072266 5C 1pz -0.013617 0.003240 0.009661 -0.069602 0.028300 -0.015812 5C 1px -0.028170 0.086233 -0.026971 0.062810 0.013489 0.077207 5C 1py 0.028911 -0.026388 0.016185 0.087820 -0.049612 0.004487 5C 2pz 0.774915 0.846230 -0.297339 -0.028060 0.722056 -0.349597 5C 2px 0.128052 -0.318837 -0.071355 -1.375869 0.539280 0.711894 5C 2py -1.251640 -1.301592 0.286888 0.517485 -1.325639 0.282283 5C 3pz 0.316880 0.296436 -0.269129 -0.157735 -0.297007 -0.198404 5C 3px 0.128091 -0.028015 -0.137755 -0.412893 -0.181119 0.131345 5C 3py -0.490785 -0.514651 0.152876 0.408007 0.435850 0.179470 5C 1dz2 -0.056052 0.012017 -0.021249 0.013355 0.041142 -0.032580 5C 1dxz -0.092738 -0.155093 0.018749 0.090715 -0.110082 0.053414 5C 1dyz -0.136794 0.009304 -0.005984 -0.080993 0.121255 0.065984 5C 1dx2y2 0.112852 0.191859 -0.094704 -0.231841 0.192308 0.061220 5C 1dxy 0.085493 0.204929 -0.030575 -0.101797 0.168806 -0.109436 5C 2dz2 -0.023431 -0.200204 0.174880 0.238264 -0.098835 -0.065742 5C 2dxz -0.213830 -0.078495 0.083344 -0.089882 -0.048661 0.201153 5C 2dyz 0.106871 -0.284173 0.010652 0.246940 0.002282 0.110606 5C 2dx2y2 0.254236 0.141523 0.041248 -0.122659 0.200663 0.058878 5C 2dxy 0.204919 -0.117810 0.024560 0.370371 -0.076236 -0.262003 5C 1f0 -0.179842 -0.216375 0.059281 0.064077 -0.167536 0.048916 5C 1f+1 -0.144466 -0.218918 0.030146 0.286919 -0.225228 -0.003463 5C 1f-1 0.126639 0.121993 0.008344 -0.145728 0.108149 0.017024 5C 1f+2 0.161141 0.091000 -0.015095 -0.055784 0.024511 -0.017678 5C 1f-2 0.135395 0.299764 -0.048707 -0.089193 0.158183 -0.072567 5C 1f+3 0.039418 -0.128901 0.046742 0.178565 -0.113481 -0.006411 5C 1f-3 0.372430 0.420211 -0.148621 -0.347691 0.344328 -0.022203 6C 1s -0.008021 -0.006150 0.001596 0.006713 0.010320 -0.001106 6C 2s -0.016367 -0.017986 0.004473 0.019179 0.021519 -0.002099 6C 3s -0.101656 0.611241 -0.167833 -0.562309 -0.230088 -0.042244 6C 4s 0.886166 -1.807029 0.553839 1.565765 -0.428213 0.230281 6C 5s -0.041286 -0.407189 0.035790 0.246454 0.197846 -0.049310 6C 1pz 0.015236 0.002599 0.009791 -0.069469 -0.028466 -0.015885 6C 1px 0.026663 0.085810 -0.026967 0.063427 -0.014860 0.076686 6C 1py -0.030592 -0.025311 0.015913 0.087350 0.050594 0.004741 6C 2pz -0.778177 0.841291 -0.280632 -0.030968 -0.728323 -0.368551 6C 2px -0.113655 -0.319120 -0.063910 -1.363917 -0.567343 0.680351 6C 2py 1.246917 -1.291127 0.256951 0.516718 1.341125 0.322786 6C 3pz -0.319321 0.298981 -0.265800 -0.158846 0.293844 -0.191644 6C 3px -0.124257 -0.026512 -0.136795 -0.413087 0.172360 0.141734 6C 3py 0.490159 -0.518524 0.145576 0.408555 -0.432641 0.167078 6C 1dz2 -0.057258 -0.010260 0.021120 -0.015479 0.040039 0.034740 6C 1dxz -0.092104 0.155166 -0.016753 -0.092008 -0.112574 -0.055967 6C 1dyz -0.138611 -0.006911 0.005823 0.077397 0.122807 -0.060779 6C 1dx2y2 0.110649 -0.188833 0.090789 0.230635 0.197797 -0.055014 6C 1dxy 0.083277 -0.203728 0.027711 0.101868 0.170723 0.114267 6C 2dz2 -0.024114 0.199996 -0.176143 -0.238582 -0.107433 0.057380 6C 2dxz -0.216302 0.078060 -0.082059 0.087575 -0.045113 -0.199554 6C 2dyz 0.110214 0.280751 -0.013649 -0.247585 0.000339 -0.114325 6C 2dx2y2 0.254580 -0.144317 -0.044776 0.122666 0.205564 -0.050176 6C 2dxy 0.208901 0.119616 -0.025656 -0.367897 -0.088418 0.253110 6C 1f0 0.180825 -0.215268 0.055921 0.064975 0.170133 0.054986 6C 1f+1 0.140908 -0.217593 0.025810 0.285359 0.230996 0.005307 6C 1f-1 -0.124052 0.120221 0.011406 -0.145024 -0.110076 0.012563 6C 1f+2 -0.162528 0.092608 -0.013632 -0.059426 -0.026910 -0.018186 6C 1f-2 -0.133144 0.296389 -0.044985 -0.088916 -0.159737 -0.076492 6C 1f+3 -0.042539 -0.125885 0.046011 0.175798 0.116704 -0.001378 6C 1f-3 -0.372017 0.419885 -0.142142 -0.350581 -0.354887 -0.034714 7C 1s 0.009153 0.001529 0.007428 0.000327 0.004485 0.001037 7C 2s 0.020045 0.003853 0.022121 -0.000947 0.008061 0.002910 7C 3s 0.030946 -0.144628 -0.815188 0.153804 -0.044535 -0.131913 7C 4s -0.746488 0.456468 2.451004 -0.654710 -0.724822 0.420959 7C 5s 0.078533 -0.071611 0.443848 -0.182457 -0.038229 -0.216845 7C 1pz -0.048095 0.009544 -0.070766 0.038684 -0.040082 -0.028872 7C 1px -0.012000 -0.090931 -0.019726 -0.083367 -0.005946 0.063580 7C 1py -0.030680 -0.016938 -0.051012 -0.017121 -0.023868 0.004244 7C 2pz 1.228752 -0.487574 -1.134552 -0.131427 -1.145550 -0.463004 7C 2px 0.068623 0.680172 -0.731199 1.055544 -0.305722 0.624483 7C 2py 0.731474 -0.126922 -0.890926 0.407083 -0.777563 -0.025467 7C 3pz 0.357103 -0.351798 -0.611900 -0.105673 0.093913 -0.377783 7C 3px 0.043086 0.170277 -0.231943 0.200317 -0.017296 0.215237 7C 3py 0.250858 -0.302265 -0.398915 0.147529 0.088429 -0.141851 7C 1dz2 -0.004112 -0.042616 -0.195164 0.055007 -0.111478 0.025655 7C 1dxz 0.140699 -0.093869 -0.217652 -0.011436 -0.127140 -0.158289 7C 1dyz -0.092990 -0.029636 -0.146722 -0.015690 -0.121450 -0.034462 7C 1dx2y2 -0.110231 0.028799 0.217648 -0.019524 0.100560 0.028696 7C 1dxy -0.044228 -0.029673 0.027284 -0.048857 -0.020392 -0.084174 7C 2dz2 0.281009 0.098753 -0.063539 0.047933 -0.185281 0.105777 7C 2dxz 0.136764 0.017908 0.178628 -0.117071 0.006955 -0.182320 7C 2dyz 0.237418 0.027862 0.431408 0.017345 -0.110244 0.107325 7C 2dx2y2 -0.277821 0.117214 0.235613 -0.164665 0.142372 0.042855 7C 2dxy 0.029496 0.051758 0.430439 -0.152977 0.110312 -0.088244 7C 1f0 -0.229058 0.095474 0.287658 -0.056489 0.144109 0.056136 7C 1f+1 -0.042122 0.093311 0.302509 -0.061374 0.161090 0.050721 7C 1f-1 0.002374 -0.025248 0.088089 -0.063466 -0.000316 -0.011939 7C 1f+2 0.283651 -0.112438 -0.449797 -0.024846 -0.223665 -0.117940 7C 1f-2 0.147629 -0.006058 -0.201569 0.066802 -0.116290 -0.005117 7C 1f+3 0.114163 -0.065671 -0.100255 -0.044373 -0.073136 -0.050708 7C 1f-3 -0.177564 0.008909 0.445115 -0.125768 0.222965 0.046524 8C 1s 0.004432 -0.012419 0.002360 0.011025 0.012541 -0.000515 8C 2s 0.013447 -0.034247 0.006866 0.031243 0.037621 -0.000693 8C 3s -0.229597 0.265068 -0.064078 -0.208815 -0.439318 -0.043000 8C 4s 0.985825 -0.079634 0.048462 -0.198762 0.772360 0.238631 8C 5s 0.273359 -0.931017 0.403488 0.735095 0.317789 0.261464 8C 1pz 0.057848 -0.112637 0.011201 0.099357 0.125702 0.006881 8C 1px 0.032749 -0.085045 0.017159 0.055175 0.094826 0.007147 8C 1py -0.077015 0.179536 -0.054699 -0.153449 -0.222831 -0.014202 8C 2pz -0.418655 0.054464 0.194226 -0.055486 -0.459039 -0.132652 8C 2px 0.256646 0.406659 -0.064559 0.128933 -0.444718 0.328340 8C 2py 0.840227 -0.674684 0.285409 0.491426 1.344986 0.159714 8C 3pz 0.029669 0.163094 -0.011854 -0.081468 -0.123047 -0.044542 8C 3px -0.270940 0.053114 -0.059204 -0.171864 -0.026637 0.026429 8C 3py 0.094477 -0.150166 0.096769 0.123884 0.020090 0.081063 8C 1dz2 0.023085 -0.035175 0.020313 0.035985 0.030182 -0.011182 8C 1dxz 0.084116 0.033390 -0.001165 0.021791 0.020234 0.076988 8C 1dyz -0.006128 0.032365 -0.041882 -0.002333 -0.046482 0.047024 8C 1dx2y2 0.020306 -0.085223 0.037861 0.068009 0.029545 0.037479 8C 1dxy 0.104499 -0.111004 0.052990 0.124081 0.074162 -0.032951 8C 2dz2 -0.132837 0.176364 -0.168776 -0.140473 -0.249063 -0.022998 8C 2dxz 0.332998 -0.174030 -0.002554 0.204458 0.260446 0.169171 8C 2dyz -0.141080 0.434830 -0.070469 -0.306073 -0.664063 0.052526 8C 2dx2y2 -0.095642 0.049473 -0.047521 -0.068585 -0.230367 -0.055656 8C 2dxy -0.185025 0.262212 -0.057745 -0.147216 -0.368986 0.033123 8C 1f0 0.070522 -0.190578 0.049360 0.162634 0.249904 0.004572 8C 1f+1 0.135299 -0.065281 0.034258 0.061922 0.072164 0.052803 8C 1f-1 0.208336 -0.274512 0.021065 0.256674 0.269368 0.027876 8C 1f+2 0.178529 -0.057650 0.014783 0.126099 0.104027 0.057574 8C 1f-2 -0.136454 0.052878 -0.019102 -0.090502 -0.038117 -0.040880 8C 1f+3 0.037226 0.024569 -0.019632 -0.012816 -0.076852 -0.019673 8C 1f-3 -0.076979 0.022565 0.028670 0.009274 0.019416 -0.056942 9C 1s -0.003302 0.002654 0.016348 -0.001000 0.009856 0.001272 9C 2s -0.010224 0.007116 0.044995 -0.003892 0.029784 0.004460 9C 3s 0.218510 -0.054961 -0.303548 0.055774 -0.397268 -0.069574 9C 4s -1.076877 0.001359 -0.163424 -0.145944 0.942071 0.111265 9C 5s -0.131169 0.683946 1.132042 0.174982 0.505590 0.589557 9C 1pz -0.062228 0.052794 0.223058 -0.028793 0.179446 0.041886 9C 1px -0.007992 0.022435 0.049154 0.001757 0.046938 0.009171 9C 1py -0.048352 0.023883 0.161020 -0.002251 0.123964 0.031488 9C 2pz 0.804642 -0.174563 -0.661122 0.194382 -1.157324 -0.200670 9C 2px -0.161666 -0.387928 -0.299124 -0.195249 -0.317447 0.261136 9C 2py 0.367611 0.027604 -0.247615 -0.136088 -0.644240 0.021641 9C 3pz 0.044067 -0.156540 -0.176766 -0.006468 -0.118408 -0.132637 9C 3px 0.199931 0.013389 -0.122037 0.083900 -0.003623 0.006373 9C 3py 0.055203 -0.057837 -0.209261 -0.025115 -0.133400 -0.078012 9C 1dz2 -0.014930 -0.018186 -0.028874 0.022900 0.006122 -0.037582 9C 1dxz 0.050017 -0.069487 -0.183051 0.020566 -0.065358 0.036539 9C 1dyz 0.030464 0.027632 -0.067146 0.037047 -0.002499 -0.034139 9C 1dx2y2 0.061736 0.019194 -0.005942 0.039524 -0.026957 -0.030758 9C 1dxy 0.019079 0.004798 -0.051184 -0.000029 -0.016229 0.038377 9C 2dz2 -0.102614 0.097775 0.179261 -0.103310 0.299467 0.044740 9C 2dxz -0.185591 0.037520 0.138075 -0.041713 0.158421 0.066691 9C 2dyz -0.177396 0.098971 0.514596 0.031496 0.584886 -0.011382 9C 2dx2y2 0.176581 0.078313 -0.100430 0.022086 -0.132204 -0.158714 9C 2dxy -0.159251 0.107435 0.306872 -0.038242 0.244958 0.051298 9C 1f0 -0.064445 -0.003132 0.104713 0.034328 0.055479 0.054057 9C 1f+1 -0.182285 -0.021104 0.188354 -0.043566 0.085657 0.064378 9C 1f-1 0.175452 -0.042566 -0.338132 0.069446 -0.263290 -0.104404 9C 1f+2 0.036604 -0.021033 -0.016780 0.009266 0.005653 -0.026051 9C 1f-2 -0.116254 0.023249 0.222036 -0.023423 0.097182 0.029955 9C 1f+3 -0.054205 -0.051241 -0.118214 -0.031848 -0.103358 0.008204 9C 1f-3 -0.107022 0.003713 0.023257 -0.032406 0.012202 0.046119 10H 1s -0.140546 -0.025432 -0.169622 0.008457 0.122061 -0.097712 10H 2s -0.243231 0.221821 -0.028288 0.165228 0.050932 -0.237669 10H 3s 0.133232 -0.038485 0.138253 -0.075030 -0.025383 0.103188 10H 1pz 0.026995 0.058293 0.060174 0.020312 -0.016348 -0.038067 10H 1px 0.157855 -0.058822 0.081767 -0.053855 -0.078519 0.101276 10H 1py 0.061273 0.036416 0.070357 0.003174 -0.034908 0.005059 11H 1s 0.002151 -0.069063 -0.171910 -0.025198 0.110297 -0.021369 11H 2s -0.000095 -0.185380 -0.442095 0.011921 0.240071 0.108114 11H 3s -0.111633 0.120758 0.190310 0.063380 -0.146523 0.029326 11H 1pz -0.053738 -0.087419 -0.246475 0.021946 0.127690 -0.011446 11H 1px 0.037065 -0.069928 -0.112448 -0.015367 0.068607 0.040804 11H 1py -0.009864 0.015226 0.000809 0.017098 -0.008329 -0.017119 12H 1s 0.071918 -0.042258 -0.052368 -0.036209 0.052886 0.029270 12H 2s 0.172547 -0.022989 -0.060429 -0.153539 0.009843 0.278112 12H 3s -0.105739 0.103646 0.068102 0.097124 -0.042494 0.000355 12H 1pz -0.052221 -0.002379 -0.093309 0.015805 0.034187 -0.038551 12H 1px 0.077782 -0.010706 0.000285 -0.039913 0.006039 0.064592 12H 1py 0.050542 -0.021545 -0.063574 -0.070712 0.033016 0.079458 13H 1s 0.175345 0.125126 -0.029157 -0.108388 0.141430 -0.072942 13H 2s 0.342183 -0.118659 0.101073 -0.187237 0.056466 -0.268385 13H 3s -0.184603 -0.013299 0.024163 0.174103 -0.025089 0.067166 13H 1pz 0.054143 -0.059178 0.039313 -0.031288 0.010011 -0.062427 13H 1px -0.191356 -0.038496 -0.006423 0.093875 -0.090956 0.089241 13H 1py 0.033985 0.067403 -0.029042 -0.010899 0.020817 0.031140 14H 1s -0.097101 0.048421 -0.012051 0.001854 0.057962 0.056449 14H 2s -0.357781 0.021865 0.078316 0.142804 -0.035724 0.328493 14H 3s 0.179859 -0.111700 0.008736 -0.042841 -0.039738 -0.040036 14H 1pz -0.033873 0.037480 0.015480 0.006348 0.016741 0.050970 14H 1px -0.178062 0.012306 0.028220 0.061499 0.008880 0.126852 14H 1py -0.041047 -0.043332 0.005715 0.060302 -0.037355 0.012080 15H 1s 0.023687 0.173192 -0.054387 -0.115832 0.173611 0.012132 15H 2s 0.098292 0.399792 -0.191722 -0.339229 0.401052 0.140096 15H 3s 0.083678 -0.213003 0.070498 0.111752 -0.234328 -0.011259 15H 1pz 0.022566 -0.045486 0.024997 0.016641 -0.055561 -0.035495 15H 1px -0.023870 0.059528 -0.031212 -0.031901 0.053976 0.034493 15H 1py -0.099750 -0.230270 0.105148 0.199861 -0.213645 -0.029161 16H 1s -0.156468 -0.109330 -0.038938 -0.174735 -0.006597 0.048100 16H 2s -0.032890 -0.203173 0.022804 -0.211716 -0.081813 -0.277679 16H 3s 0.055002 0.007656 -0.044291 -0.012377 0.025455 0.042276 16H 1pz -0.106762 -0.133649 -0.011400 -0.178119 -0.036242 -0.061030 16H 1px 0.000771 0.017675 0.007110 0.031379 0.001645 0.056695 16H 1py -0.084073 -0.060307 -0.011217 -0.113464 -0.009421 -0.006105 17H 1s 0.145928 0.125502 0.013081 0.155289 -0.004074 0.083807 17H 2s 0.239278 0.140174 0.112851 0.311232 -0.060403 -0.210470 17H 3s -0.048294 -0.020844 -0.034896 -0.002641 0.035923 0.045899 17H 1pz -0.104681 -0.082606 -0.010314 -0.109424 0.026714 -0.007987 17H 1px -0.124548 -0.089892 -0.038931 -0.151560 0.007659 0.046757 17H 1py 0.101493 0.098627 0.028826 0.120484 -0.010419 0.016815 18H 1s 0.143575 -0.125789 -0.016185 -0.151983 -0.002788 -0.086373 18H 2s 0.240250 -0.138708 -0.120602 -0.304374 -0.066016 0.202885 18H 3s -0.046113 0.021600 0.034271 0.002449 0.036920 -0.044858 18H 1pz 0.107060 -0.085557 -0.013543 -0.111131 -0.027029 -0.010680 18H 1px 0.124269 -0.090145 -0.042659 -0.148575 -0.009053 0.043706 18H 1py -0.096264 0.095319 0.030526 0.113366 0.009658 0.019541 19H 1s -0.156504 0.109702 0.042244 0.171048 -0.004481 -0.045750 19H 2s -0.027740 0.207021 -0.021858 0.207263 -0.086829 0.283045 19H 3s 0.055603 -0.006679 0.043260 0.012781 0.027629 -0.041880 19H 1pz 0.102879 -0.133064 -0.013776 -0.171094 0.036294 -0.063643 19H 1px -0.000915 0.019581 0.007566 0.032692 -0.002677 0.057852 19H 1py 0.086533 -0.064283 -0.012982 -0.115982 0.009817 -0.009136 20H 1s 0.020433 -0.169710 0.051316 0.111898 0.175841 -0.005766 20H 2s 0.089875 -0.389087 0.184734 0.328728 0.407582 -0.127646 20H 3s 0.086956 0.209531 -0.069315 -0.104572 -0.236090 0.002414 20H 1pz -0.023780 -0.043766 0.024262 0.013862 0.056155 -0.033514 20H 1px 0.024972 0.058774 -0.031116 -0.030716 -0.056328 0.032724 20H 1py 0.096317 -0.225267 0.100782 0.195786 0.217157 -0.022072 21H 1s -0.096981 -0.047979 0.012517 -0.004231 0.059867 -0.053819 21H 2s -0.354046 -0.024081 -0.073867 -0.144607 -0.029002 -0.328011 21H 3s 0.180455 0.112065 -0.010584 0.045794 -0.043203 0.036806 21H 1pz 0.033401 0.038853 0.015150 0.005920 -0.018941 0.051179 21H 1px 0.176245 0.012905 0.026271 0.063120 -0.011306 0.125277 21H 1py 0.041389 -0.044262 0.005107 0.061760 0.039129 0.013351 22H 1s 0.175893 -0.125669 0.026170 0.110545 0.143627 0.076507 22H 2s 0.341824 0.117228 -0.102324 0.194905 0.051968 0.267648 22H 3s -0.185223 0.014583 -0.022593 -0.176991 -0.025621 -0.068954 22H 1pz -0.053036 -0.058873 0.038965 -0.032178 -0.007924 -0.061469 22H 1px 0.192005 -0.039406 -0.008621 0.097116 0.091671 0.091675 22H 1py -0.034005 0.068295 -0.028128 -0.010739 -0.022920 0.030501 23H 1s 0.070474 0.043675 0.053746 0.036179 0.056062 -0.027844 23H 2s 0.164138 0.024950 0.073448 0.149791 0.024177 -0.274036 23H 3s -0.105036 -0.103374 -0.069556 -0.096896 -0.047774 0.000367 23H 1pz 0.051766 -0.002567 -0.093415 0.017257 -0.035548 -0.037713 23H 1px -0.075074 -0.010973 -0.000885 -0.039149 -0.008346 0.063084 23H 1py -0.047474 -0.023090 -0.069737 -0.069103 -0.039540 0.078407 24H 1s 0.006103 0.069063 0.162628 0.025001 0.110246 0.016189 24H 2s 0.013017 0.187142 0.417321 -0.012934 0.238835 -0.125518 24H 3s -0.114429 -0.122220 -0.179492 -0.065572 -0.145627 -0.023841 24H 1pz 0.048085 -0.087704 -0.236135 0.023183 -0.127363 -0.005665 24H 1px -0.040774 -0.070954 -0.106016 -0.015712 -0.069403 0.046001 24H 1py 0.010065 0.014654 -0.003932 0.017669 0.006626 -0.019037 25H 1s -0.139331 0.026471 0.168709 -0.010983 0.123515 0.096189 25H 2s -0.241390 -0.221290 0.029644 -0.169894 0.046868 0.234983 25H 3s 0.131652 0.038419 -0.138757 0.076347 -0.025444 -0.102170 25H 1pz -0.026492 0.058937 0.061154 0.020519 0.018401 -0.037563 25H 1px -0.156820 -0.058123 0.081878 -0.056451 0.078120 0.099457 25H 1py -0.062496 0.035733 0.070830 0.001506 0.036697 0.005253 26O 1s -0.008835 0.001992 -0.010510 0.007107 0.005249 -0.003977 26O 2s -0.025033 0.009013 -0.028199 0.023900 0.014156 -0.017435 26O 3s 0.093630 -0.107389 -0.019774 -0.141323 0.011152 0.196110 26O 4s 0.084890 0.208466 0.904022 -0.033308 -0.601348 -0.624102 26O 5s 1.045228 0.021105 1.017724 -0.789860 0.585542 0.781054 26O 1pz -0.022860 -0.068833 -0.073048 -0.052457 0.038563 -0.081685 26O 1px -0.019181 -0.023296 -0.040850 -0.027676 0.059736 -0.072063 26O 1py -0.002597 -0.030718 -0.054356 -0.051297 0.042945 -0.070773 26O 2pz 0.167465 0.284102 0.251534 0.245845 -0.172165 0.166185 26O 2px -0.279804 0.037575 -0.807590 0.408571 0.227349 0.199694 26O 2py -0.067232 0.113464 -0.177771 0.342146 -0.005871 0.158904 26O 3pz 0.248154 0.113885 -0.249264 0.216455 0.445767 0.495874 26O 3px -0.254956 0.139558 -0.687028 0.490902 0.155257 0.043059 26O 3py -0.001353 0.287530 -0.444796 0.210216 0.319424 0.300305 26O 1dz2 0.006642 -0.015124 0.036763 -0.019102 -0.008856 0.020501 26O 1dxz 0.007615 0.000500 -0.002326 -0.001128 0.003626 -0.004113 26O 1dyz -0.008705 -0.005492 0.012098 -0.021279 0.006105 0.023188 26O 1dx2y2 -0.009526 0.006541 -0.032159 0.019320 0.012104 -0.002524 26O 1dxy -0.002550 -0.001989 -0.026766 0.016472 0.017233 -0.000618 26O 2dz2 -0.083187 -0.000265 -0.233340 0.109578 0.113348 0.089326 26O 2dxz -0.109746 -0.041287 -0.176261 -0.000955 0.102037 -0.046259 26O 2dyz -0.056330 0.020968 -0.128968 0.044142 0.111780 0.051872 26O 2dx2y2 0.125675 0.012788 0.325999 -0.106002 -0.136278 -0.044614 26O 2dxy 0.094504 -0.000518 0.164621 -0.070467 -0.024726 -0.049834 26O 1f0 0.020125 0.019413 0.004962 0.002073 -0.000364 0.001389 26O 1f+1 0.002353 -0.002256 0.010958 0.003086 -0.017584 0.011117 26O 1f-1 0.024586 0.018608 -0.006778 0.030413 0.007699 -0.006747 26O 1f+2 -0.010396 -0.009530 0.017502 -0.024234 -0.007012 0.010185 26O 1f-2 -0.033763 -0.005881 -0.044598 -0.005711 0.011479 -0.013994 26O 1f+3 -0.006473 0.001855 0.003749 -0.003555 -0.006362 0.006269 26O 1f-3 0.006683 0.015939 0.030579 0.001082 -0.022820 0.018117 27O 1s 0.010224 0.004647 -0.002241 -0.013498 0.007449 -0.002236 27O 2s 0.030129 0.009993 -0.005505 -0.042642 0.022134 -0.012391 27O 3s -0.144436 0.079178 -0.008159 0.187767 -0.037989 0.182537 27O 4s 0.089977 -0.579110 0.173687 0.292003 -0.621510 -0.674605 27O 5s -1.230100 -0.554468 0.156993 1.215113 0.649256 0.538535 27O 1pz 0.012608 0.060748 0.010552 0.005328 0.020940 -0.028284 27O 1px 0.033121 0.109896 -0.008393 -0.014041 0.081073 -0.090639 27O 1py -0.037797 -0.132532 0.017987 -0.000635 -0.064493 0.073579 27O 2pz -0.129761 -0.284382 -0.004868 0.024721 -0.135269 0.014877 27O 2px 0.233953 0.218676 -0.136645 -0.752219 0.298436 0.358155 27O 2py 0.173069 0.408260 -0.078755 0.156152 0.162806 -0.148978 27O 3pz -0.232091 -0.045350 0.109417 -0.087476 0.351324 0.255653 27O 3px 0.192019 0.229279 -0.167210 -0.782157 0.307962 0.101437 27O 3py 0.233853 0.038652 0.199939 0.300377 -0.578366 -0.359054 27O 1dz2 -0.011111 -0.007466 0.014037 0.017019 -0.015337 -0.003921 27O 1dxz -0.005433 0.000936 -0.002970 0.010297 -0.002199 -0.003126 27O 1dyz -0.006209 -0.001417 -0.001767 -0.025108 0.001785 -0.023614 27O 1dx2y2 0.012149 0.015899 -0.000894 -0.056343 0.029982 -0.006947 27O 1dxy 0.004413 -0.010541 -0.001871 0.005124 -0.013429 -0.003558 27O 2dz2 0.066135 0.089254 -0.019915 -0.133827 0.047434 0.051502 27O 2dxz 0.096476 0.092216 -0.038195 -0.119160 0.115118 0.022765 27O 2dyz 0.000025 0.014851 0.010047 0.072525 -0.089550 -0.073967 27O 2dx2y2 -0.154965 -0.177795 0.095577 0.304467 -0.205281 -0.139998 27O 2dxy -0.079301 -0.093989 0.022467 0.057162 -0.145684 0.016753 27O 1f0 0.004572 0.003027 -0.004559 0.009576 -0.010420 0.006105 27O 1f+1 -0.001732 -0.022315 0.009229 0.006955 -0.017494 0.011662 27O 1f-1 0.015210 0.026418 0.009969 -0.000487 0.003933 0.006585 27O 1f+2 0.022909 0.002291 -0.002238 0.032937 -0.029856 0.015642 27O 1f-2 -0.019337 -0.028015 0.005642 0.033190 -0.018676 0.010665 27O 1f+3 -0.003098 -0.019821 -0.003591 0.008178 -0.021156 0.009127 27O 1f-3 0.032976 0.035008 -0.009073 0.004677 0.009191 -0.005009 28O 1s -0.013116 -0.009811 -0.014319 -0.004199 0.007079 -0.001883 28O 2s -0.037211 -0.033255 -0.042389 -0.016310 0.019825 -0.000156 28O 3s 0.145022 0.225637 0.150083 0.147842 -0.034941 -0.130811 28O 4s 0.094310 -0.221913 0.178539 -0.185672 -0.439676 0.730696 28O 5s 1.186209 0.830557 1.010531 0.241881 0.652625 -0.185498 28O 1pz -0.003258 0.022102 -0.144331 0.067569 0.055163 0.078711 28O 1px 0.048392 0.008671 0.079641 -0.005605 -0.062513 -0.024749 28O 1py 0.003384 0.035569 -0.063715 0.033709 0.010641 0.033877 28O 2pz -0.319392 -0.314940 -0.102682 -0.317769 0.061376 -0.369249 28O 2px 0.226253 0.193960 0.336584 0.063052 -0.127311 0.351059 28O 2py -0.063431 -0.191202 0.084864 -0.142389 -0.012693 -0.072969 28O 3pz 0.096140 -0.417667 -0.155025 -0.244279 0.395651 -0.456366 28O 3px 0.335246 0.275735 0.372075 0.145712 0.058056 0.022825 28O 3py 0.260320 0.020699 -0.002968 -0.205599 0.311266 -0.292913 28O 1dz2 -0.029572 -0.000114 -0.024841 0.013496 0.017452 -0.008392 28O 1dxz 0.019036 0.024073 0.058076 0.017596 -0.026552 0.008367 28O 1dyz -0.020648 0.014006 -0.001520 0.015004 0.015209 -0.019326 28O 1dx2y2 -0.003136 -0.022062 -0.008204 -0.007306 0.003013 -0.006812 28O 1dxy 0.015392 0.015707 0.029153 -0.002542 -0.008539 -0.005393 28O 2dz2 0.110385 -0.019229 0.021171 -0.017209 0.026434 -0.019084 28O 2dxz -0.221356 -0.115551 -0.215011 -0.038795 0.119181 -0.197213 28O 2dyz 0.062521 -0.015331 0.040871 -0.043010 0.051467 -0.065650 28O 2dx2y2 0.043489 0.060373 0.144127 0.033308 -0.082811 0.121126 28O 2dxy -0.041688 -0.025773 -0.023016 -0.026616 0.039481 -0.043777 28O 1f0 -0.002899 0.007491 0.008204 0.001157 -0.012104 -0.007933 28O 1f+1 -0.010904 -0.012740 -0.021474 -0.019151 0.012332 -0.006912 28O 1f-1 -0.009271 -0.016815 -0.059446 -0.010096 0.029775 -0.000471 28O 1f+2 -0.013449 0.011540 -0.024155 0.005386 0.015357 0.005201 28O 1f-2 0.006047 -0.017996 -0.011825 -0.018516 0.018272 0.002792 28O 1f+3 -0.017421 -0.021351 -0.037515 0.003151 0.023440 0.005088 28O 1f-3 -0.008167 -0.010531 -0.023223 0.001219 0.005997 -0.004616 29O 1s 0.001910 -0.001406 0.000668 0.000994 -0.001776 0.003778 29O 2s 0.006211 -0.005069 0.002556 0.003550 -0.006211 0.011764 29O 3s -0.041770 0.048180 -0.020687 -0.031382 0.043845 -0.095128 29O 4s 0.085242 -0.124885 0.054404 0.082163 -0.069045 0.121563 29O 5s -0.270072 0.196142 -0.165876 -0.171110 0.199042 0.149876 29O 1pz 0.095067 0.070578 0.019784 0.104603 0.016703 -0.017335 29O 1px 0.042078 0.031136 0.005443 0.034412 -0.028450 0.093533 29O 1py -0.026584 -0.002030 -0.003820 -0.014741 0.005991 0.013120 29O 2pz -0.380440 -0.328908 -0.063488 -0.469382 -0.055979 -0.012753 29O 2px -0.182696 -0.130364 -0.045032 -0.174964 0.093744 -0.152827 29O 2py 0.093675 0.029342 0.026454 0.055788 -0.036189 -0.058023 29O 3pz 0.051525 -0.020513 -0.035532 -0.076940 0.016228 -0.030516 29O 3px 0.065687 -0.048808 0.057686 0.014398 -0.069875 0.008630 29O 3py 0.050383 -0.027299 0.031741 0.043320 -0.026459 -0.122836 29O 1dz2 0.002263 0.002658 -0.004564 0.000922 -0.004436 -0.010434 29O 1dxz 0.001512 0.001299 0.012736 0.007930 0.001689 -0.012908 29O 1dyz 0.009967 0.005121 0.004132 0.016718 0.000270 -0.004508 29O 1dx2y2 0.004384 -0.000198 -0.004340 0.004764 0.002895 0.030865 29O 1dxy -0.006270 0.011016 0.002699 -0.001593 -0.000307 0.017365 29O 2dz2 0.092800 0.086069 0.004500 0.128083 0.017255 0.003323 29O 2dxz -0.101636 -0.083804 -0.005984 -0.101329 0.024243 -0.025308 29O 2dyz 0.169742 0.152436 0.037430 0.228527 0.012354 0.014381 29O 2dx2y2 -0.011668 -0.021984 -0.007096 -0.023501 -0.020359 0.039205 29O 2dxy 0.073536 0.081145 0.020326 0.091826 -0.020136 0.038909 29O 1f0 0.011580 0.004675 0.002383 0.014015 -0.000935 -0.003967 29O 1f+1 0.010580 0.019893 -0.006648 0.018646 -0.000613 0.004732 29O 1f-1 0.020838 0.020293 0.005792 0.026126 0.002829 -0.003689 29O 1f+2 -0.014765 -0.009637 0.010078 -0.015521 0.004971 -0.014702 29O 1f-2 -0.030612 -0.034448 -0.008539 -0.033733 0.001296 -0.015382 29O 1f+3 0.008448 0.011504 0.004424 0.013313 0.001298 -0.036859 29O 1f-3 0.028306 -0.000125 -0.005749 0.025979 0.000977 0.002344 30O 1s 0.013858 0.017299 -0.004913 -0.003501 0.008474 0.001890 30O 2s 0.038788 0.053794 -0.015974 -0.006942 0.024972 0.012594 30O 3s -0.133923 -0.246862 0.092450 -0.054545 -0.059424 -0.225978 30O 4s -0.182720 -0.180735 -0.082246 0.240334 -0.513288 0.918396 30O 5s -1.361732 -1.184345 0.621722 0.193469 0.837064 -0.415130 30O 1pz 0.010491 0.032653 -0.003505 -0.101971 0.059721 0.067053 30O 1px -0.051527 -0.053922 0.007673 0.017557 -0.058932 -0.024796 30O 1py 0.007990 -0.034418 0.030371 0.124364 -0.067382 -0.087546 30O 2pz 0.258790 0.365318 -0.128924 0.178395 0.068813 -0.270567 30O 2px -0.258654 -0.403982 0.105969 0.185147 -0.191969 0.306227 30O 2py -0.340187 -0.408656 0.041038 -0.256446 -0.051323 0.312101 30O 3pz -0.046480 0.507601 0.146037 0.118844 0.412794 -0.277081 30O 3px -0.423944 -0.442755 0.174902 0.019054 0.186054 -0.087581 30O 3py 0.250803 -0.574447 0.028405 -0.258607 -0.619875 0.462661 30O 1dz2 -0.000069 0.003706 0.000204 -0.004075 0.000728 0.007925 30O 1dxz -0.007254 -0.039993 0.020846 0.005253 -0.022905 0.000812 30O 1dyz -0.030662 -0.014556 -0.002276 0.020923 -0.024208 0.019794 30O 1dx2y2 -0.022198 0.002376 0.003799 0.019541 -0.008303 0.001279 30O 1dxy 0.018879 0.058772 -0.010824 -0.014660 0.028630 0.012224 30O 2dz2 0.005047 0.031599 0.001976 -0.037630 0.010215 -0.018068 30O 2dxz 0.151247 0.218817 -0.029710 -0.050975 0.119601 -0.123872 30O 2dyz 0.189581 0.081682 -0.046491 -0.074979 -0.030218 -0.006434 30O 2dx2y2 0.056041 -0.114980 0.017115 0.020853 -0.104756 0.068323 30O 2dxy -0.180062 -0.219357 0.033547 0.030286 -0.134159 0.166939 30O 1f0 -0.011653 -0.049344 0.018707 0.022852 -0.044254 -0.010967 30O 1f+1 0.006789 0.009719 -0.010366 -0.005594 0.003632 0.000349 30O 1f-1 0.005031 0.000795 0.006936 0.003329 0.003948 -0.000569 30O 1f+2 0.005393 -0.017140 -0.005114 0.001575 -0.004098 0.002616 30O 1f-2 0.019780 -0.006762 0.005513 -0.030140 -0.000159 0.001585 30O 1f+3 0.023613 0.061471 -0.006501 -0.017645 0.043406 0.008797 30O 1f-3 -0.003176 0.004006 -0.002400 0.000561 0.013967 0.011809 31O 1s 0.013903 -0.017197 0.004622 0.003463 0.008687 -0.001475 31O 2s 0.038980 -0.053446 0.015135 0.006702 0.025672 -0.011183 31O 3s -0.136236 0.244908 -0.088994 0.058262 -0.063638 0.217281 31O 4s -0.176767 0.178994 0.084888 -0.249422 -0.505000 -0.916644 31O 5s -1.375817 1.184100 -0.610988 -0.207211 0.817836 0.423246 31O 1pz -0.008683 0.031751 -0.001994 -0.100472 -0.062193 0.063823 31O 1px 0.050993 -0.053222 0.005936 0.017224 0.059990 -0.022169 31O 1py -0.009905 -0.033050 0.029313 0.122556 0.070831 -0.083471 31O 2pz -0.264854 0.365729 -0.128734 0.171662 -0.067373 -0.269895 31O 2px 0.258018 -0.401458 0.102726 0.188402 0.193199 0.308666 31O 2py 0.347018 -0.410958 0.039716 -0.247988 0.047707 0.309443 31O 3pz 0.052063 0.502612 0.147708 0.124742 -0.407897 -0.295493 31O 3px 0.426579 -0.442421 0.170788 0.024196 -0.180044 -0.088144 31O 3py -0.256421 -0.568409 0.028753 -0.268426 0.615413 0.488741 31O 1dz2 0.000050 -0.003770 -0.000112 0.004149 0.000934 -0.007791 31O 1dxz -0.007414 0.039845 -0.020650 -0.005163 -0.023641 -0.001645 31O 1dyz -0.030536 0.014604 0.002979 -0.021108 -0.024331 -0.020299 31O 1dx2y2 -0.022187 -0.002156 -0.003433 -0.019768 -0.008703 -0.001408 31O 1dxy 0.018916 -0.058562 0.010497 0.014685 0.029624 -0.010928 31O 2dz2 0.004434 -0.031409 -0.002346 0.037626 0.010475 0.017987 31O 2dxz 0.150655 -0.217527 0.027397 0.052692 0.120255 0.127153 31O 2dyz 0.190819 -0.083018 0.044631 0.079084 -0.027634 0.004233 31O 2dx2y2 0.057851 0.112777 -0.017018 -0.018386 -0.104549 -0.072341 31O 2dxy -0.179934 0.219248 -0.030655 -0.032744 -0.134629 -0.169490 31O 1f0 0.011549 -0.049154 0.018472 0.022720 0.045481 -0.009195 31O 1f+1 -0.006957 0.009610 -0.010221 -0.005670 -0.003935 0.000012 31O 1f-1 -0.004981 0.000842 0.007014 0.003296 -0.003727 -0.000444 31O 1f+2 -0.005622 -0.017081 -0.004813 0.001552 0.004234 0.003045 31O 1f-2 -0.019062 -0.007331 0.006178 -0.029849 0.000344 0.001482 31O 1f+3 -0.023416 0.061215 -0.005965 -0.017532 -0.044392 0.007084 31O 1f-3 0.003087 0.003737 -0.002346 0.000858 -0.014087 0.011296 32O 1s 0.001901 0.001452 -0.000747 -0.000945 -0.001753 -0.003788 32O 2s 0.006179 0.005209 -0.002809 -0.003374 -0.006168 -0.011800 32O 3s -0.041524 -0.049030 0.022424 0.029826 0.043826 0.095301 32O 4s 0.085555 0.126602 -0.057496 -0.078311 -0.071207 -0.121693 32O 5s -0.274360 -0.202740 0.173557 0.164068 0.208056 -0.147647 32O 1pz -0.095100 0.071040 0.021822 0.102680 -0.015698 -0.015752 32O 1px -0.040027 0.030887 0.006563 0.033362 0.026834 0.094535 32O 1py 0.024158 -0.000446 -0.003621 -0.012147 -0.006333 0.013256 32O 2pz 0.379837 -0.331423 -0.072734 -0.461024 0.053350 -0.019908 32O 2px 0.177014 -0.128931 -0.049626 -0.169389 -0.091931 -0.156828 32O 2py -0.083708 0.020917 0.026088 0.043446 0.037599 -0.058375 32O 3pz -0.051430 -0.021005 -0.035678 -0.076247 -0.017181 -0.031564 32O 3px -0.063176 -0.048858 0.057870 0.013161 0.071575 0.009396 32O 3py -0.054762 -0.029510 0.033598 0.041108 0.029537 -0.122442 32O 1dz2 0.002649 -0.002843 0.004837 -0.000924 -0.004595 0.010356 32O 1dxz 0.001464 -0.001455 -0.012674 -0.007751 0.001179 0.012896 32O 1dyz 0.010035 -0.005255 -0.004352 -0.016413 -0.000028 0.003957 32O 1dx2y2 0.004519 0.000141 0.004304 -0.004678 0.003444 -0.030803 32O 1dxy -0.006343 -0.011096 -0.002726 0.001399 0.000019 -0.017642 32O 2dz2 0.086124 -0.080877 -0.004365 -0.117098 0.016384 -0.004385 32O 2dxz -0.104176 0.086695 0.009302 0.103517 0.023801 0.028375 32O 2dyz 0.170713 -0.155434 -0.041866 -0.227050 0.011914 -0.019528 32O 2dx2y2 -0.015733 0.025735 0.008350 0.028193 -0.019518 -0.038151 32O 2dxy 0.069066 -0.078345 -0.021680 -0.086303 -0.019588 -0.040970 32O 1f0 -0.010297 0.003495 0.002272 0.012223 0.001076 -0.003383 32O 1f+1 -0.011726 0.021059 -0.006196 0.019473 0.000404 0.005759 32O 1f-1 -0.020980 0.020466 0.006545 0.026027 -0.002556 -0.004114 32O 1f+2 0.014493 -0.009780 0.009415 -0.015095 -0.004474 -0.014333 32O 1f-2 0.030463 -0.034432 -0.009349 -0.033176 -0.001161 -0.015069 32O 1f+3 -0.006573 0.010071 0.004480 0.011092 -0.000738 -0.037174 32O 1f-3 -0.028483 0.000025 -0.005213 0.025738 -0.001036 0.002030 33O 1s -0.013010 0.009881 0.014155 0.003991 0.007259 0.001718 33O 2s -0.036907 0.033472 0.041796 0.015738 0.020429 -0.000415 33O 3s 0.143857 -0.227129 -0.146201 -0.146383 -0.038740 0.134103 33O 4s 0.095882 0.224953 -0.177507 0.192484 -0.432047 -0.730237 33O 5s 1.175002 -0.828303 -1.023375 -0.242785 0.630487 0.202769 33O 1pz 0.000725 0.021600 -0.141298 0.068499 -0.057475 0.079307 33O 1px -0.047646 0.009295 0.078179 -0.007071 0.063856 -0.024392 33O 1py -0.004826 0.035358 -0.062627 0.033925 -0.012095 0.034416 33O 2pz 0.324644 -0.313184 -0.107554 -0.314415 -0.061808 -0.362963 33O 2px -0.224828 0.192202 0.335212 0.059890 0.127809 0.342880 33O 2py 0.068879 -0.190791 0.080825 -0.142281 0.013925 -0.073015 33O 3pz -0.088267 -0.416741 -0.141844 -0.241179 -0.390269 -0.449226 33O 3px -0.335580 0.275570 0.373017 0.143788 -0.050957 0.018070 33O 3py -0.255076 0.018812 0.007782 -0.207127 -0.308496 -0.292837 33O 1dz2 -0.029146 0.000242 0.024791 -0.014129 0.017600 0.008446 33O 1dxz 0.018847 -0.024208 -0.057466 -0.017066 -0.027538 -0.007579 33O 1dyz -0.020605 -0.013775 0.001844 -0.015440 0.014994 0.019783 33O 1dx2y2 -0.003127 0.021948 0.007942 0.007116 0.002926 0.006301 33O 1dxy 0.015329 -0.015794 -0.029265 0.002950 -0.009140 0.005650 33O 2dz2 0.109731 0.019101 -0.024247 0.018082 0.024835 0.017476 33O 2dxz -0.221104 0.115436 0.215429 0.035086 0.120344 0.194888 33O 2dyz 0.062112 0.015238 -0.043793 0.043039 0.049557 0.064032 33O 2dx2y2 0.043225 -0.060375 -0.142139 -0.032179 -0.083388 -0.118589 33O 2dxy -0.042873 0.026172 0.023744 0.026277 0.039640 0.044636 33O 1f0 0.002576 0.007504 0.008452 0.000923 0.012620 -0.007652 33O 1f+1 0.010584 -0.012859 -0.021023 -0.018935 -0.012680 -0.006687 33O 1f-1 0.009175 -0.016883 -0.058782 -0.009776 -0.030901 0.000511 33O 1f+2 0.012357 0.011513 -0.022709 0.005517 -0.015245 0.005416 33O 1f-2 -0.005476 -0.018104 -0.011779 -0.018510 -0.018759 0.002811 33O 1f+3 0.017193 -0.021523 -0.037385 0.003733 -0.024169 0.005368 33O 1f-3 0.007869 -0.010645 -0.023094 0.001529 -0.006278 -0.004424 34O 1s 0.009969 -0.004474 0.001984 0.013473 0.007567 0.002575 34O 2s 0.029249 -0.009404 0.004745 0.042553 0.022330 0.013466 34O 3s -0.138182 -0.083420 0.011710 -0.187648 -0.034029 -0.186308 34O 4s 0.082186 0.584803 -0.173014 -0.286493 -0.649599 0.656693 34O 5s -1.210762 0.553518 -0.145269 -1.228756 0.641222 -0.546150 34O 1pz -0.012371 0.060547 0.011054 0.005079 -0.020957 -0.029263 34O 1px -0.031133 0.108244 -0.006503 -0.012947 -0.080644 -0.092164 34O 1py 0.037124 -0.131997 0.016770 -0.000608 0.064868 0.075601 34O 2pz 0.129857 -0.284324 -0.008503 0.026274 0.138832 0.019522 34O 2px -0.232016 0.220151 -0.133934 -0.752411 -0.317926 0.338750 34O 2py -0.173842 0.407502 -0.073797 0.154585 -0.163966 -0.151194 34O 3pz 0.233175 -0.047696 0.109113 -0.081359 -0.354331 0.248346 34O 3px -0.185683 0.227041 -0.165154 -0.779158 -0.323476 0.085890 34O 3py -0.233888 0.042690 0.202548 0.292895 0.591465 -0.344075 34O 1dz2 -0.010959 0.007233 -0.013769 -0.016965 -0.015886 0.003242 34O 1dxz -0.005398 -0.000826 0.002956 -0.010410 -0.002372 0.002924 34O 1dyz -0.006531 0.001550 0.002049 0.025182 0.001715 0.024087 34O 1dx2y2 0.011548 -0.015648 0.000557 0.056198 0.030579 0.008409 34O 1dxy 0.004702 0.010269 0.002141 -0.004822 -0.013531 0.003328 34O 2dz2 0.065229 -0.089201 0.018559 0.133602 0.050679 -0.049265 34O 2dxz 0.097450 -0.092559 0.036637 0.120464 0.119191 -0.017545 34O 2dyz -0.000022 -0.015235 -0.009551 -0.071542 -0.091665 0.070958 34O 2dx2y2 -0.154348 0.177347 -0.092658 -0.304409 -0.214421 0.131528 34O 2dxy -0.079720 0.093811 -0.020512 -0.057811 -0.147597 -0.021664 34O 1f0 -0.004337 0.003002 -0.004311 0.009530 0.010370 0.006626 34O 1f+1 0.001759 -0.022148 0.009175 0.006833 0.017794 0.012473 34O 1f-1 -0.015032 0.026343 0.010395 -0.000391 -0.004002 0.006283 34O 1f+2 -0.023513 0.002857 -0.002039 0.032325 0.029706 0.016636 34O 1f-2 0.018787 -0.027554 0.005219 0.033188 0.019028 0.011701 34O 1f+3 0.002255 -0.019362 -0.004128 0.007622 0.021053 0.009510 34O 1f-3 -0.033278 0.035352 -0.008582 0.004283 -0.009737 -0.005471 35O 1s -0.008554 -0.001986 0.010279 -0.007278 0.005261 0.003738 35O 2s -0.024118 -0.009048 0.027396 -0.024391 0.014003 0.016509 35O 3s 0.088499 0.109026 0.025161 0.142825 0.017336 -0.187895 35O 4s 0.085545 -0.216719 -0.906616 0.038896 -0.631311 0.608834 35O 5s 1.029663 -0.019925 -1.028239 0.793693 0.581868 -0.766893 35O 1pz 0.022969 -0.068648 -0.071545 -0.051360 -0.038297 -0.079582 35O 1px 0.018525 -0.023007 -0.038212 -0.026893 -0.058467 -0.069778 35O 1py 0.002971 -0.030873 -0.053120 -0.050892 -0.043133 -0.069363 35O 2pz -0.168768 0.284292 0.247941 0.240652 0.173662 0.161805 35O 2px 0.271271 0.032954 -0.808934 0.414008 -0.245400 0.197262 35O 2py 0.060600 0.113244 -0.177906 0.343029 0.002899 0.157779 35O 3pz -0.255436 0.114836 -0.237908 0.217397 -0.454850 0.503914 35O 3px 0.243272 0.139891 -0.684859 0.493665 -0.165994 0.052157 35O 3py -0.006797 0.288131 -0.438980 0.214404 -0.332374 0.308894 35O 1dz2 0.005896 0.015132 -0.036208 0.019444 -0.009027 -0.019879 35O 1dxz 0.007687 -0.000515 0.002069 0.001154 0.003552 0.004042 35O 1dyz -0.009162 0.005601 -0.012074 0.021083 0.006393 -0.022677 35O 1dx2y2 -0.009045 -0.006427 0.031816 -0.019556 0.012508 0.002217 35O 1dxy -0.002040 0.002023 0.026132 -0.016643 0.017422 0.000362 35O 2dz2 -0.080230 0.001283 0.232412 -0.111422 0.118268 -0.089642 35O 2dxz -0.108183 0.041562 0.174335 -0.001987 0.104140 0.043442 35O 2dyz -0.054603 -0.020517 0.126860 -0.046166 0.114705 -0.053833 35O 2dx2y2 0.122860 -0.014528 -0.326057 0.108592 -0.143295 0.045225 35O 2dxy 0.091324 0.000243 -0.164471 0.072152 -0.027318 0.049034 35O 1f0 -0.020380 0.019576 0.005614 0.001917 0.000622 0.001556 35O 1f+1 -0.001773 -0.002274 0.010163 0.003080 0.017428 0.010666 35O 1f-1 -0.025238 0.018880 -0.006586 0.030132 -0.007493 -0.006369 35O 1f+2 0.011301 -0.009626 0.016660 -0.024125 0.006784 0.009502 35O 1f-2 0.033310 -0.005880 -0.044138 -0.005096 -0.011913 -0.013401 35O 1f+3 0.006718 0.001726 0.003144 -0.003725 0.006062 0.006024 35O 1f-3 -0.006689 0.016113 0.030312 0.000760 0.023097 0.017781 588 589 590 591 592 593 4.19636 4.27692 4.39824 4.40026 4.40947 4.41643 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s 0.003231 0.005497 -0.000474 -0.000207 -0.001026 0.000004 0Rh 2s -0.030744 -0.064354 0.003831 0.003086 0.008775 -0.003904 0Rh 3s 0.000863 -0.005697 -0.000542 0.000608 -0.000887 -0.002306 0Rh 4s 0.172776 0.361739 -0.021851 -0.017394 -0.049971 0.021748 0Rh 5s -0.409755 -0.904863 0.050625 0.046019 0.117372 -0.066697 0Rh 6s 0.428974 1.136196 -0.045461 -0.068032 -0.111943 0.137168 0Rh 7s -0.645118 -2.499002 0.055461 0.195437 0.176416 -0.582536 0Rh 8s 0.024206 0.199614 0.042297 0.015432 0.130505 0.085301 0Rh 1pz 0.000506 0.002051 -0.000825 0.002649 -0.002112 -0.000898 0Rh 1px -0.000970 -0.011380 0.000893 0.002758 0.002201 -0.005756 0Rh 1py 0.002471 -0.002575 -0.000678 0.000500 0.001060 0.004683 0Rh 2pz -0.002063 -0.007457 0.003389 -0.010669 0.008651 0.003866 0Rh 2px 0.003695 0.043469 -0.003628 -0.010844 -0.008811 0.022419 0Rh 2py -0.009900 0.009911 0.002857 -0.001983 -0.004364 -0.018920 0Rh 3pz 0.006595 0.004277 -0.011091 0.029703 -0.028048 -0.015594 0Rh 3px -0.006002 -0.074039 0.010842 0.024937 0.023293 -0.046570 0Rh 3py 0.027083 -0.018553 -0.011270 0.004531 0.014632 0.053632 0Rh 4pz -0.011255 0.051178 0.018906 -0.030360 0.048250 0.029755 0Rh 4px -0.008123 -0.074442 -0.014269 -0.008949 -0.019333 -0.006295 0Rh 4py -0.027895 -0.009184 0.026700 0.001348 -0.026874 -0.056035 0Rh 5pz 0.022359 -0.123757 -0.029265 0.008841 -0.077683 -0.031170 0Rh 5px 0.029393 0.279194 0.014467 -0.024306 0.002955 0.106040 0Rh 5py 0.013489 0.047844 -0.052723 -0.018671 0.045926 0.014484 0Rh 6pz -0.144834 0.064218 0.094168 0.080347 0.292801 0.028578 0Rh 6px -0.049275 -0.008569 -0.120375 -0.002459 -0.323888 -0.077555 0Rh 6py 0.021953 0.027214 0.135662 0.011644 -0.146893 0.130358 0Rh 1dz2 0.063952 0.061787 -0.005885 -0.005843 -0.003037 0.013740 0Rh 1dxz -0.008928 0.099368 0.012010 -0.005326 0.008728 0.027298 0Rh 1dyz 0.125603 0.010668 0.000715 0.002805 0.005876 0.005342 0Rh 1dx2y2 -0.004487 -0.136683 -0.001768 0.013280 0.005527 -0.032101 0Rh 1dxy 0.038282 -0.048531 0.003684 0.001932 -0.016561 -0.012331 0Rh 2dz2 0.011610 0.009303 -0.001012 -0.000294 -0.000231 0.001354 0Rh 2dxz -0.001013 0.016151 0.000868 -0.001516 0.001209 0.003767 0Rh 2dyz 0.022118 0.001398 -0.000203 0.002244 0.000270 0.002122 0Rh 2dx2y2 -0.000623 -0.021690 -0.000836 0.001480 0.000766 -0.003113 0Rh 2dxy 0.005895 -0.007844 0.000574 0.000399 -0.001290 -0.001705 0Rh 3dz2 -0.305207 -0.288463 0.028450 0.024924 0.013529 -0.062240 0Rh 3dxz 0.039737 -0.470102 -0.052855 0.028701 -0.041145 -0.128754 0Rh 3dyz -0.596578 -0.048711 -0.002071 -0.022153 -0.024980 -0.031769 0Rh 3dx2y2 0.020220 0.643415 0.011001 -0.060840 -0.025951 0.145044 0Rh 3dxy -0.178055 0.229422 -0.017678 -0.009796 0.073494 0.058088 0Rh 4dz2 0.498548 0.457344 -0.046166 -0.035715 -0.021317 0.098274 0Rh 4dxz -0.060091 0.756926 0.080940 -0.052573 0.067296 0.212179 0Rh 4dyz 0.972758 0.074311 0.001833 0.051738 0.035772 0.062911 0Rh 4dx2y2 -0.028594 -1.029829 -0.021625 0.097661 0.040964 -0.228162 0Rh 4dxy 0.286193 -0.369228 0.029042 0.017171 -0.113708 -0.095068 0Rh 5dz2 -0.660152 -0.492741 0.050429 0.033083 -0.001970 -0.081331 0Rh 5dxz 0.059150 -0.846183 -0.062192 0.078404 -0.067715 -0.253331 0Rh 5dyz -1.291727 -0.071935 0.034000 -0.080312 -0.048156 -0.092200 0Rh 5dx2y2 0.015474 1.136027 0.041263 -0.104193 -0.024197 0.216389 0Rh 5dxy -0.374599 0.414463 -0.009814 0.002939 0.075219 0.121306 0Rh 1f0 0.005288 0.004351 0.001831 -0.000106 -0.009182 0.004778 0Rh 1f+1 0.002347 -0.008986 -0.002719 -0.001596 0.004776 -0.006710 0Rh 1f-1 0.003542 -0.000473 0.010198 0.006969 -0.007174 0.003620 0Rh 1f+2 -0.000666 -0.008413 -0.004979 -0.002720 -0.010573 0.005918 0Rh 1f-2 -0.007768 -0.001170 -0.003900 0.000151 -0.002474 0.004342 0Rh 1f+3 -0.000223 -0.011129 0.002790 0.000882 0.005241 -0.007161 0Rh 1f-3 0.006924 -0.008377 0.004312 0.007078 -0.006249 0.000356 1Rh 1s 0.002550 0.005523 0.000494 0.000117 0.001028 -0.000225 1Rh 2s -0.024574 -0.064585 -0.004645 0.000253 -0.009313 -0.001889 1Rh 3s 0.000500 -0.005681 0.000176 0.000848 0.000577 -0.002474 1Rh 4s 0.138079 0.363043 0.026395 -0.001264 0.052969 0.010269 1Rh 5s -0.328610 -0.907914 -0.063782 0.007755 -0.126510 -0.039457 1Rh 6s 0.348993 1.139170 0.069560 -0.029539 0.130508 0.109940 1Rh 7s -0.537198 -2.504236 -0.135764 0.131813 -0.252956 -0.535751 1Rh 8s 0.051644 0.196142 -0.044605 -0.011618 -0.117623 0.109489 1Rh 1pz -0.000408 -0.002033 0.000656 -0.002758 -0.002079 0.001309 1Rh 1px 0.000420 0.011553 0.002114 -0.001798 0.002921 0.005256 1Rh 1py -0.002554 0.002610 -0.000577 -0.000834 0.000330 -0.004856 1Rh 2pz 0.001671 0.007394 -0.002580 0.011150 0.008478 -0.005546 1Rh 2px -0.001531 -0.044153 -0.008418 0.007001 -0.011611 -0.020426 1Rh 2py 0.010219 -0.010044 0.002439 0.003407 -0.001419 0.019629 1Rh 3pz -0.005498 -0.004307 0.005714 -0.032114 -0.026812 0.021003 1Rh 3px 0.000905 0.075703 0.021615 -0.014647 0.029020 0.041469 1Rh 3py -0.027628 0.018827 -0.009951 -0.010554 0.006329 -0.055942 1Rh 4pz 0.009845 -0.050294 0.000750 0.037730 0.044652 -0.039010 1Rh 4px 0.010905 0.073423 -0.017118 -0.000730 -0.018194 0.009922 1Rh 4py 0.027257 0.009256 0.025530 0.014419 -0.018214 0.060132 1Rh 5pz -0.020180 0.121083 -0.020623 -0.026351 -0.072229 0.046258 1Rh 5px -0.028012 -0.279635 0.001400 0.028625 -0.010833 -0.105052 1Rh 5py -0.010936 -0.048623 -0.053752 -0.014401 0.043324 -0.021630 1Rh 6pz 0.117199 -0.050864 0.121899 -0.007664 0.281220 -0.085865 1Rh 6px 0.102516 -0.002887 -0.102024 -0.069782 -0.310864 0.136848 1Rh 6py -0.013359 -0.028581 0.115834 0.065809 -0.164816 -0.101769 1Rh 1dz2 0.063617 0.062098 0.007825 -0.001668 0.004847 0.012733 1Rh 1dxz -0.007359 0.098338 -0.007880 -0.011578 -0.004916 0.029016 1Rh 1dyz 0.125469 0.010443 -0.002038 0.002173 -0.004981 0.006392 1Rh 1dx2y2 -0.005119 -0.136629 -0.004883 0.012542 -0.009728 -0.030646 1Rh 1dxy 0.038787 -0.048517 -0.003830 -0.000884 0.014809 -0.014708 1Rh 2dz2 0.011555 0.009343 0.001049 0.000305 0.000421 0.001256 1Rh 2dxz -0.000855 0.016060 -0.000025 -0.001832 -0.000686 0.003967 1Rh 2dyz 0.022059 0.001392 -0.000882 0.002059 0.000069 0.002168 1Rh 2dx2y2 -0.000709 -0.021675 0.000031 0.001735 -0.001181 -0.002952 1Rh 2dxy 0.005931 -0.007842 -0.000661 -0.000014 0.001051 -0.001882 1Rh 3dz2 -0.303646 -0.289896 -0.036442 0.005292 -0.021776 -0.057676 1Rh 3dxz 0.032867 -0.465609 0.032152 0.055594 0.023200 -0.136692 1Rh 3dyz -0.595796 -0.047788 0.012621 -0.018608 0.019735 -0.036242 1Rh 3dx2y2 0.023076 0.643165 0.019749 -0.058996 0.044950 0.138394 1Rh 3dxy -0.180210 0.229366 0.018713 0.003606 -0.065267 0.068608 1Rh 4dz2 0.496171 0.459516 0.057189 -0.004636 0.034415 0.091103 1Rh 4dxz -0.050107 0.750310 -0.045123 -0.092747 -0.037812 0.224949 1Rh 4dyz 0.971331 0.073032 -0.026489 0.044511 -0.025480 0.069399 1Rh 4dx2y2 -0.032944 -1.029395 -0.028098 0.096847 -0.070855 -0.217818 1Rh 4dxy 0.289200 -0.369122 -0.031339 -0.004748 0.100323 -0.111322 1Rh 5dz2 -0.658618 -0.493604 -0.060426 0.000010 -0.009340 -0.078568 1Rh 5dxz 0.050868 -0.840806 0.016926 0.104618 0.032940 -0.264720 1Rh 5dyz -1.289038 -0.071026 0.009732 -0.090267 0.033355 -0.099540 1Rh 5dx2y2 0.021366 1.134116 0.014146 -0.113856 0.053160 0.210022 1Rh 5dxy -0.375039 0.413736 0.005769 0.009359 -0.058697 0.131699 1Rh 1f0 -0.005048 -0.004310 0.001238 0.001312 -0.009656 -0.003133 1Rh 1f+1 -0.002786 0.009241 -0.003238 -0.000148 0.005678 0.005914 1Rh 1f-1 -0.004112 0.000745 0.011893 0.000233 -0.007792 -0.002889 1Rh 1f+2 0.000498 0.008088 -0.005700 -0.000383 -0.011182 -0.003683 1Rh 1f-2 0.007825 0.001048 -0.003282 -0.002357 -0.003012 -0.003660 1Rh 1f+3 -0.000495 0.011361 0.002874 0.000776 0.006052 0.005951 1Rh 1f-3 -0.007645 0.008482 0.007084 -0.003414 -0.006222 0.000539 2C 1s 0.010001 -0.004569 -0.001014 0.001361 0.000622 -0.001393 2C 2s 0.028410 -0.011582 -0.001380 0.004491 0.001115 -0.003057 2C 3s -0.215995 0.057178 0.040680 -0.023429 0.009221 0.003280 2C 4s -0.089812 0.091711 -0.208202 -0.059083 -0.055776 0.019498 2C 5s 0.000554 -0.094084 0.026684 0.079454 0.391774 -0.276778 2C 1pz -0.149827 0.032739 0.004350 -0.023643 0.000464 0.008938 2C 1px -0.045981 0.011954 0.004544 -0.006928 0.000168 0.003393 2C 1py -0.102983 0.031613 0.008285 -0.006511 -0.007729 0.004964 2C 2pz 0.761792 -0.455324 -1.060870 -1.228789 -0.228792 0.286366 2C 2px 0.188667 -0.271159 -0.175266 -0.292073 -0.264753 -0.057887 2C 2py 0.271647 0.054566 0.828242 1.786644 0.363641 -0.683107 2C 3pz -0.113925 0.126877 0.174190 0.217593 0.124205 -0.116487 2C 3px -0.046663 -0.090594 0.022687 0.102625 0.064258 -0.042490 2C 3py -0.012449 0.025275 -0.145890 -0.274628 -0.000191 0.092890 2C 1dz2 0.006340 -0.027594 0.081934 0.192716 0.029771 -0.083137 2C 1dxz -0.061619 0.096351 0.121067 0.254160 0.083439 -0.055933 2C 1dyz -0.001651 -0.093925 -0.080350 -0.094416 -0.039809 -0.010986 2C 1dx2y2 -0.054006 0.050473 0.185528 0.275194 0.034707 -0.093826 2C 1dxy -0.004191 -0.049397 -0.249151 -0.418727 -0.069128 0.140093 2C 2dz2 0.196602 0.018554 0.195970 0.451611 0.047437 -0.179961 2C 2dxz 0.105457 0.081101 0.431184 0.858025 0.228039 -0.261554 2C 2dyz 0.442577 -0.189360 -0.210317 -0.169807 -0.075392 -0.019504 2C 2dx2y2 -0.101025 0.064059 0.426243 0.672712 0.035477 -0.238334 2C 2dxy 0.267936 -0.234483 -0.667037 -1.047742 -0.182075 0.336713 2C 1f0 -0.094827 0.133282 0.458030 0.736388 0.084999 -0.249675 2C 1f+1 -0.085378 0.045699 -0.162937 -0.310297 -0.065230 0.098692 2C 1f-1 0.253520 -0.099592 -0.062120 -0.046601 -0.002607 0.017040 2C 1f+2 0.024211 -0.004350 0.076335 0.200240 0.065330 -0.062525 2C 1f-2 -0.134767 0.164054 0.171733 0.261538 0.071986 -0.032103 2C 1f+3 0.114731 -0.018789 0.164656 0.360316 0.071453 -0.140487 2C 1f-3 -0.021110 -0.029149 -0.118690 -0.243512 -0.077270 0.046938 3C 1s -0.007748 -0.002663 0.000211 -0.000734 -0.000797 -0.001573 3C 2s -0.021791 -0.006758 0.000513 -0.002702 -0.000215 -0.005376 3C 3s 0.117499 0.023415 -0.009816 0.027252 0.050177 0.036286 3C 4s 0.386525 0.117521 0.016479 0.001805 -0.303771 -0.006598 3C 5s 0.209538 0.095419 -0.231340 0.102175 0.163087 -0.015544 3C 1pz 0.059166 0.014985 0.001280 0.007166 -0.000390 0.011055 3C 1px 0.047266 0.009155 -0.002119 0.001403 0.002043 0.009470 3C 1py -0.107854 -0.007795 0.005272 -0.011427 -0.002757 -0.023537 3C 2pz 0.078664 0.266048 -0.088418 -0.504504 0.884025 -1.188449 3C 2px -0.204997 -0.135719 -0.197107 -0.276657 0.506257 -0.935283 3C 2py 0.447405 0.342037 -0.201237 -0.515933 1.472286 -1.024937 3C 3pz 0.021841 0.086253 -0.017799 0.074623 -0.132492 0.227909 3C 3px 0.074481 -0.019477 -0.003295 0.015715 -0.070992 0.075152 3C 3py -0.173495 -0.118935 0.072983 0.067715 -0.274096 0.199442 3C 1dz2 -0.018556 0.010485 -0.012698 -0.028869 0.066864 -0.071459 3C 1dxz -0.008616 -0.028661 0.061497 0.129736 -0.298265 0.331724 3C 1dyz 0.060777 0.151376 -0.011148 -0.109301 0.242128 -0.169882 3C 1dx2y2 -0.029570 -0.036960 0.034179 0.125322 -0.226093 0.309671 3C 1dxy -0.046942 -0.033427 -0.001469 0.023927 -0.040125 0.054300 3C 2dz2 0.142367 0.056996 -0.056269 -0.087124 0.227275 -0.176224 3C 2dxz -0.073370 -0.068335 0.148085 0.292091 -0.668591 0.763285 3C 2dyz 0.355112 0.228311 -0.036476 -0.254652 0.715546 -0.515846 3C 2dx2y2 0.003716 -0.182068 0.066878 0.325762 -0.675016 0.818690 3C 2dxy 0.117770 -0.036059 0.020193 0.160721 -0.282824 0.420136 3C 1f0 0.134248 -0.030844 0.033713 0.183565 -0.355064 0.450627 3C 1f+1 0.021934 -0.027558 -0.026376 0.039152 -0.075606 0.073384 3C 1f-1 0.195572 0.199696 -0.049832 -0.206974 0.483517 -0.455495 3C 1f+2 0.017679 -0.017398 0.006313 0.044133 -0.086370 0.063158 3C 1f-2 -0.031854 -0.031269 0.003141 -0.026493 0.042723 -0.083710 3C 1f+3 -0.038694 -0.033354 0.066576 0.171021 -0.362771 0.412089 3C 1f-3 0.026449 0.013708 0.051659 0.058540 -0.126511 0.205601 4C 1s 0.014649 -0.011763 -0.005645 -0.001307 -0.000474 -0.000214 4C 2s 0.032327 -0.026434 -0.009404 -0.000752 0.000043 -0.000377 4C 3s -0.524114 0.145324 -0.347676 -0.312164 -0.111698 0.063919 4C 4s 0.910898 -0.023933 1.858570 1.385422 0.540557 -0.251146 4C 5s 0.567574 -0.496022 0.033048 -0.070351 -0.000041 -0.074369 4C 1pz 0.012181 0.070236 0.027683 -0.007053 -0.004183 0.017186 4C 1px -0.006256 0.019681 0.009908 0.002810 -0.009708 -0.001682 4C 1py 0.004108 0.049702 0.021121 0.000553 0.003831 0.004624 4C 2pz 1.039894 -0.538319 -0.169935 0.033287 0.209852 -0.025911 4C 2px 0.131542 0.181970 0.482677 0.442678 -0.419479 -0.481061 4C 2py 0.636408 -0.189565 0.276723 0.514467 -0.026168 -0.287089 4C 3pz -0.671200 -0.292501 0.141488 0.055481 0.378040 -0.247656 4C 3px -0.117423 -0.057532 0.008405 0.021281 0.057376 -0.045634 4C 3py -0.450205 -0.191085 0.200976 0.157247 0.220070 -0.261033 4C 1dz2 -0.129438 0.038970 0.051158 0.094895 0.046018 -0.018012 4C 1dxz -0.125452 0.076677 0.013549 0.036839 -0.004725 -0.019811 4C 1dyz -0.177313 0.066663 -0.013072 -0.061574 -0.013985 0.038023 4C 1dx2y2 0.068294 0.032506 0.150066 0.172827 0.024376 -0.049802 4C 1dxy -0.055343 0.063638 0.019233 -0.020992 -0.017284 -0.000395 4C 2dz2 0.013344 -0.105093 -0.009479 0.073877 0.065544 0.064083 4C 2dxz 0.000842 -0.136834 0.030031 0.075329 -0.208523 -0.146051 4C 2dyz 0.252359 -0.116045 0.105387 -0.009603 0.045589 0.026952 4C 2dx2y2 0.157167 0.188476 0.214733 0.179036 0.071077 -0.068099 4C 2dxy 0.194238 0.063596 0.406357 0.445007 -0.035918 -0.221659 4C 1f0 -0.169424 0.040652 -0.189284 -0.314082 -0.044354 0.116690 4C 1f+1 -0.192464 -0.026828 -0.141751 -0.198791 -0.058197 0.030931 4C 1f-1 0.031262 -0.069462 -0.113306 -0.104214 0.006389 0.030656 4C 1f+2 0.264955 -0.118156 -0.036446 -0.085451 0.027342 0.040460 4C 1f-2 0.125937 -0.094134 0.038376 0.080129 -0.036335 -0.076516 4C 1f+3 0.089474 -0.069180 0.062713 0.127220 0.032571 -0.044658 4C 1f-3 -0.246540 0.053716 -0.057548 -0.036612 0.006282 0.028917 5C 1s -0.015617 -0.010310 0.000754 0.000323 -0.008303 0.001212 5C 2s -0.035772 -0.023382 0.000804 -0.000803 -0.013297 0.000748 5C 3s 0.524117 0.056224 0.087556 0.163051 -0.601784 0.331574 5C 4s -1.037849 0.230137 -0.497570 -0.697104 3.097344 -1.446619 5C 5s -0.752476 -0.479978 -0.134042 -0.031704 -0.081482 0.028014 5C 1pz 0.002677 0.037153 -0.003847 0.000099 0.022591 0.007546 5C 1px -0.000936 0.021264 -0.003411 -0.012758 0.014367 -0.006606 5C 1py 0.000511 -0.061634 -0.001379 0.001986 -0.036400 -0.016532 5C 2pz -0.306119 -0.045707 0.041780 0.160357 0.134278 -0.016977 5C 2px -0.370412 -0.062079 -0.244250 -0.934160 0.669378 -1.528445 5C 2py 0.621897 0.202830 0.013364 -0.115005 -0.015469 0.097070 5C 3pz 0.349137 -0.135597 -0.169102 0.025572 0.285691 -0.134707 5C 3px 0.176629 -0.091503 -0.108602 -0.013678 0.167768 -0.157337 5C 3py -0.572202 0.231958 0.302836 0.012906 -0.289265 0.061038 5C 1dz2 -0.061799 -0.073665 0.014423 0.063677 -0.157519 0.119650 5C 1dxz 0.051859 -0.012947 0.022867 0.022104 -0.157981 0.109008 5C 1dyz -0.123691 -0.034238 -0.001362 -0.041491 0.000351 -0.073151 5C 1dx2y2 -0.115943 -0.011905 0.015017 -0.011501 0.018142 -0.013151 5C 1dxy -0.116764 -0.050689 0.004629 0.049871 0.009763 0.026845 5C 2dz2 0.172517 -0.120234 0.092105 0.247240 -0.534023 0.502175 5C 2dxz -0.081475 -0.180924 -0.037094 -0.143587 -0.019089 -0.215246 5C 2dyz 0.264096 0.000222 0.013202 -0.053041 -0.267831 -0.078158 5C 2dx2y2 0.004579 0.199672 -0.125959 -0.204047 0.348549 -0.351241 5C 2dxy 0.223712 0.197310 0.046736 0.251693 -0.141088 0.375347 5C 1f0 0.124042 0.036551 0.006934 -0.006834 -0.043954 0.042610 5C 1f+1 0.154754 0.040591 0.012181 0.038205 -0.050419 0.047633 5C 1f-1 -0.077471 -0.075291 -0.006679 0.027360 -0.118703 0.087641 5C 1f+2 0.006923 0.013076 -0.029502 -0.053090 0.148103 -0.132415 5C 1f-2 -0.089010 0.010700 0.027701 0.081860 -0.016399 0.164776 5C 1f+3 0.101867 -0.089339 0.014632 0.074912 -0.184217 0.097812 5C 1f-3 -0.217086 -0.009460 -0.041635 -0.142866 0.327932 -0.351567 6C 1s -0.015574 -0.010314 -0.000790 -0.000181 0.008375 -0.000384 6C 2s -0.035696 -0.023403 -0.000306 -0.001207 0.013280 -0.001743 6C 3s 0.527320 0.061011 -0.150515 0.089130 0.640077 0.213000 6C 4s -1.056123 0.212400 0.749136 -0.312428 -3.259170 -0.838658 6C 5s -0.753472 -0.479408 0.133240 0.044389 0.086278 0.015623 6C 1pz -0.002876 -0.037204 -0.003075 -0.002491 0.021222 -0.011807 6C 1px 0.002993 -0.021364 -0.009291 0.008549 0.014843 0.003863 6C 1py -0.000344 0.061400 -0.000172 -0.002172 -0.033223 0.023835 6C 2pz 0.297365 0.051845 0.114667 -0.104337 0.151137 -0.007162 6C 2px 0.392983 0.067142 -0.659706 0.641321 0.849091 1.415154 6C 2py -0.617571 -0.210012 -0.045361 0.100701 -0.035809 -0.093907 6C 3pz -0.351864 0.139538 -0.129685 -0.109000 0.301665 0.083600 6C 3px -0.170737 0.092460 -0.097710 -0.045286 0.186197 0.126313 6C 3py 0.569943 -0.235403 0.265605 0.151680 -0.290672 -0.009558 6C 1dz2 -0.059755 -0.073175 -0.042839 0.045658 0.174008 0.091857 6C 1dxz 0.051750 -0.011609 -0.029371 0.006341 0.174841 0.081994 6C 1dyz -0.124620 -0.034288 0.021599 -0.034638 -0.011422 -0.075117 6C 1dx2y2 -0.117019 -0.013205 -0.006803 -0.016812 -0.016711 -0.006839 6C 1dxy -0.114646 -0.052331 -0.028980 0.039872 -0.007059 0.029023 6C 2dz2 0.176431 -0.116760 -0.196207 0.158447 0.599857 0.404807 6C 2dxz -0.086996 -0.180200 0.101168 -0.097830 -0.008659 -0.225749 6C 2dyz 0.262399 0.001561 0.016049 -0.051489 0.254521 -0.135146 6C 2dx2y2 -0.002336 0.198390 0.205272 -0.099929 -0.387547 -0.287603 6C 2dxy 0.233266 0.199897 -0.161183 0.179755 0.180671 0.349465 6C 1f0 -0.123131 -0.038115 0.001895 0.008550 -0.051367 -0.034948 6C 1f+1 -0.156271 -0.042357 0.028291 -0.023719 -0.052156 -0.035748 6C 1f-1 0.078166 0.075119 0.007301 -0.029125 -0.135791 -0.068586 6C 1f+2 -0.005988 -0.011851 -0.049607 0.028178 0.165176 0.105538 6C 1f-2 0.087017 -0.010010 0.063609 -0.053413 -0.040034 -0.167042 6C 1f+3 -0.102317 0.088392 0.048137 -0.055973 -0.197110 -0.063388 6C 1f-3 0.218764 0.014154 -0.102225 0.097787 0.375204 0.292055 7C 1s 0.014677 -0.011716 0.005419 0.002273 0.000386 -0.000562 7C 2s 0.032461 -0.026373 0.008392 0.004963 -0.000160 -0.000782 7C 3s -0.539022 0.156891 0.439309 -0.054910 0.112051 0.024571 7C 4s 0.966320 -0.073146 -2.220133 0.053790 -0.535950 -0.055397 7C 5s 0.562455 -0.492030 0.006072 -0.084365 -0.009228 -0.072415 7C 1pz -0.013302 -0.069959 0.020011 0.023075 -0.006707 -0.017758 7C 1px 0.007534 -0.019621 0.009596 0.003609 -0.009398 0.002883 7C 1py -0.004344 -0.049636 0.018608 0.012388 0.002966 -0.006428 7C 2pz -1.063856 0.554056 -0.138596 -0.125998 0.210225 -0.002511 7C 2px -0.125258 -0.178497 0.604720 -0.081749 -0.358420 0.515478 7C 2py -0.654891 0.204862 0.487763 -0.282758 0.009519 0.278070 7C 3pz 0.651579 0.306834 0.136877 0.040167 0.408499 0.174195 7C 3px 0.120687 0.060664 0.013210 -0.009685 0.060165 0.033775 7C 3py 0.439869 0.200500 0.247735 -0.018769 0.255454 0.216101 7C 1dz2 -0.128562 0.037701 -0.096661 0.056698 -0.048324 -0.010378 7C 1dxz -0.131957 0.079092 -0.034896 0.027470 0.001151 -0.021095 7C 1dyz -0.180502 0.069020 0.042612 -0.046899 0.018662 0.035214 7C 1dx2y2 0.074013 0.027355 -0.216998 0.063445 -0.029714 -0.039632 7C 1dxy -0.057790 0.064337 -0.004352 -0.031592 0.017752 -0.001511 7C 2dz2 0.012308 -0.102809 -0.041181 0.075971 -0.057105 0.070595 7C 2dxz 0.000491 -0.136530 -0.056187 0.044081 0.187441 -0.176386 7C 2dyz 0.260621 -0.120714 -0.074052 -0.079102 -0.037366 0.043910 7C 2dx2y2 0.162335 0.182950 -0.263059 0.020321 -0.075257 -0.043603 7C 2dxy 0.202570 0.054570 -0.564039 0.144085 0.009732 -0.206652 7C 1f0 0.177715 -0.048325 -0.320171 0.162657 -0.057791 -0.101569 7C 1f+1 0.198206 0.021641 -0.223358 0.090696 -0.060391 -0.015870 7C 1f-1 -0.029473 0.068185 -0.150572 0.024279 0.002997 -0.026852 7C 1f+2 -0.270968 0.121032 -0.085860 0.060573 0.019566 -0.047158 7C 1f-2 -0.128914 0.097293 0.066912 -0.044213 -0.026704 0.079059 7C 1f+3 -0.095087 0.073683 0.118299 -0.075409 0.038029 0.037267 7C 1f-3 0.254417 -0.058381 -0.057236 -0.007989 0.004505 -0.023989 8C 1s -0.007774 -0.002742 0.000160 -0.000733 0.000564 -0.001779 8C 2s -0.021836 -0.006967 0.000821 -0.002563 -0.000532 -0.005501 8C 3s 0.115902 0.024731 -0.004518 0.029366 -0.044525 0.045889 8C 4s 0.394811 0.118425 -0.013905 -0.012847 0.297492 -0.064684 8C 5s 0.210972 0.087147 0.145354 0.209055 -0.164687 0.003605 8C 1pz -0.059220 -0.015347 0.004370 -0.005157 -0.001618 -0.011034 8C 1px -0.047262 -0.009603 -0.001367 -0.002348 0.000778 -0.009954 8C 1py 0.107291 0.009000 -0.000792 0.012844 0.000951 0.024470 8C 2pz -0.078517 -0.264309 -0.317708 0.389195 1.081511 1.059194 8C 2px 0.217333 0.140716 -0.293935 0.119813 0.637371 0.861368 8C 2py -0.437213 -0.343758 -0.414820 0.325729 1.618436 0.763008 8C 3pz -0.022448 -0.085895 0.019399 -0.074678 -0.169486 -0.207236 8C 3px -0.074491 0.022269 0.004111 -0.012974 -0.082562 -0.063032 8C 3py 0.173435 0.117791 0.092720 -0.019106 -0.302805 -0.152433 8C 1dz2 -0.018807 0.010140 0.023325 -0.017199 -0.074971 -0.058192 8C 1dxz -0.006173 -0.028983 -0.114671 0.076951 0.351697 0.286452 8C 1dyz 0.060955 0.150932 0.060883 -0.087701 -0.266717 -0.125578 8C 1dx2y2 -0.027360 -0.035666 -0.087819 0.088007 0.271973 0.272948 8C 1dxy -0.048699 -0.035191 -0.011217 0.023163 0.054010 0.051738 8C 2dz2 0.140467 0.059464 0.087398 -0.041063 -0.247736 -0.132593 8C 2dxz -0.070390 -0.070985 -0.266394 0.169375 0.794506 0.664986 8C 2dyz 0.354273 0.227588 0.150167 -0.198939 -0.787617 -0.382098 8C 2dx2y2 0.003211 -0.178562 -0.208860 0.241886 0.793751 0.702837 8C 2dxy 0.118982 -0.035233 -0.094995 0.130467 0.356782 0.382217 8C 1f0 -0.135454 0.028185 0.114847 -0.139046 -0.423356 -0.392524 8C 1f+1 -0.019181 0.026200 -0.004914 -0.048543 -0.084394 -0.055134 8C 1f-1 -0.193839 -0.199712 -0.141374 0.151742 0.556535 0.376392 8C 1f+2 -0.018472 0.014893 0.024609 -0.032584 -0.088153 -0.041695 8C 1f-2 0.034496 0.035257 -0.008399 0.023273 0.050558 0.074796 8C 1f+3 0.038060 0.033371 0.136877 -0.108985 -0.424055 -0.351607 8C 1f-3 -0.027308 -0.013146 0.073275 -0.021593 -0.162299 -0.192119 9C 1s 0.010206 -0.004716 0.000237 0.001813 -0.000784 -0.001333 9C 2s 0.028982 -0.011958 -0.000862 0.004703 -0.001448 -0.002891 9C 3s -0.220212 0.058688 -0.025239 -0.043270 -0.008295 0.006046 9C 4s -0.091271 0.096133 0.208866 0.070445 0.052839 0.000725 9C 5s 0.034957 -0.116896 -0.059107 0.060324 -0.430430 -0.211998 9C 1pz 0.152748 -0.034418 -0.007668 0.023079 -0.000755 -0.009175 9C 1px 0.046809 -0.012469 0.000413 0.008864 -0.000337 -0.003720 9C 1py 0.106048 -0.032780 0.005119 0.010289 -0.008086 -0.003669 9C 2pz -0.763709 0.446437 -1.553980 0.457320 -0.257918 -0.208676 9C 2px -0.187598 0.274338 -0.336035 0.171832 -0.258501 0.100617 9C 2py -0.286850 -0.029915 1.659022 -1.107485 0.450060 0.604355 9C 3pz 0.104501 -0.122587 0.262119 -0.089426 0.138442 0.089515 9C 3px 0.045645 0.093798 0.074625 -0.080170 0.070863 0.032203 9C 3py 0.012057 -0.021713 -0.273620 0.158826 -0.011279 -0.089202 9C 1dz2 0.006917 -0.030579 -0.171075 0.122490 -0.040062 -0.075912 9C 1dxz -0.061450 0.095421 -0.244496 0.158280 -0.091024 -0.040071 9C 1dyz -0.004305 -0.091255 0.109469 -0.030450 0.034948 -0.023002 9C 1dx2y2 -0.053818 0.049445 -0.317301 0.141179 -0.049445 -0.085158 9C 1dxy -0.007580 -0.043287 0.428469 -0.221910 0.085941 0.118859 9C 2dz2 0.198604 0.013648 -0.402315 0.283202 -0.069173 -0.166517 9C 2dxz 0.113340 0.071180 -0.825634 0.510233 -0.261029 -0.210830 9C 2dyz 0.446310 -0.188795 0.248807 -0.011768 0.065057 -0.046561 9C 2dx2y2 -0.106693 0.064972 -0.756974 0.364359 -0.074727 -0.228551 9C 2dxy 0.266424 -0.226558 1.113047 -0.530615 0.222533 0.279946 9C 1f0 0.093106 -0.127024 0.789903 -0.387812 0.118832 0.223208 9C 1f+1 0.093577 -0.052858 -0.290589 0.173935 -0.075975 -0.079142 9C 1f-1 -0.260809 0.103334 -0.084901 0.008228 -0.006371 -0.015450 9C 1f+2 -0.031320 0.012009 0.165089 -0.131648 0.071082 0.050363 9C 1f-2 0.135202 -0.162577 0.285875 -0.131097 0.075639 0.014694 9C 1f+3 -0.115215 0.020594 0.342266 -0.230014 0.092414 0.125686 9C 1f-3 0.019676 0.027641 -0.219663 0.138781 -0.079535 -0.025997 10H 1s 0.145586 -0.059263 -0.063004 0.005132 0.063388 0.008910 10H 2s 0.145738 -0.005430 -0.115981 -0.002313 0.166006 0.041610 10H 3s -0.079685 0.128473 0.056895 -0.025325 -0.066861 0.021294 10H 1pz 0.015418 0.022137 -0.096722 -0.122342 0.016605 0.049128 10H 1px -0.115915 0.044206 0.055049 -0.026596 -0.068683 -0.005699 10H 1py -0.031760 0.057329 0.079918 0.137351 0.037576 -0.040588 11H 1s 0.147154 -0.172919 -0.421037 -0.690147 -0.150026 0.177289 11H 2s 0.317524 -0.491782 -1.056006 -1.732255 -0.423573 0.466665 11H 3s -0.213242 0.067037 0.273699 0.449878 0.106929 -0.132235 11H 1pz 0.160427 -0.185824 -0.307825 -0.491355 -0.112938 0.125287 11H 1px 0.094112 -0.138945 -0.295414 -0.487951 -0.128074 0.118984 11H 1py -0.018988 0.090170 0.284573 0.478738 0.100922 -0.132494 12H 1s 0.043847 0.035405 0.371087 0.669399 0.095734 -0.256138 12H 2s -0.005263 0.040937 0.944601 1.702967 0.249010 -0.655589 12H 3s -0.084553 -0.022718 -0.209653 -0.391198 -0.084366 0.176015 12H 1pz 0.050833 -0.043165 -0.128650 -0.227497 -0.028815 0.081113 12H 1px 0.009009 0.004420 0.139937 0.255164 0.023624 -0.109028 12H 1py 0.029784 0.009263 0.408194 0.746982 0.121092 -0.287048 13H 1s -0.055160 0.010465 0.051629 0.013310 -0.040171 0.042047 13H 2s 0.031722 0.099819 0.112371 -0.015557 -0.053245 0.100043 13H 3s 0.025128 0.056324 -0.009856 -0.003617 0.038707 0.009688 13H 1pz 0.016390 0.059339 0.022640 -0.042438 0.059115 -0.059902 13H 1px 0.033014 0.006808 -0.049957 -0.027804 0.102231 -0.095543 13H 1py -0.013545 -0.026549 -0.028777 -0.041852 0.107526 -0.128295 14H 1s -0.043402 0.045699 -0.083980 -0.217738 0.456615 -0.581065 14H 2s -0.035097 0.048216 -0.226819 -0.555848 1.169301 -1.487978 14H 3s 0.065347 -0.014531 0.051012 0.093614 -0.253915 0.320480 14H 1pz -0.011105 0.021309 -0.052197 -0.149567 0.324974 -0.393657 14H 1px -0.033809 0.015989 -0.090851 -0.209263 0.427452 -0.568916 14H 1py 0.028499 0.031021 -0.019135 -0.064309 0.128456 -0.155876 15H 1s -0.160184 -0.179045 0.055625 0.256729 -0.571151 0.539229 15H 2s -0.399087 -0.504514 0.141122 0.619326 -1.437303 1.346150 15H 3s 0.197824 0.043346 -0.026677 -0.174441 0.383899 -0.390488 15H 1pz 0.074086 0.143321 -0.044186 -0.217316 0.485799 -0.465492 15H 1px -0.056644 -0.042314 -0.003077 0.024643 -0.062477 0.035283 15H 1py 0.190375 0.200377 -0.054396 -0.216947 0.487248 -0.451635 16H 1s -0.115439 -0.030238 0.007269 0.000550 0.003434 0.003955 16H 2s -0.262161 0.011935 0.001757 -0.041650 0.008492 -0.014808 16H 3s 0.005521 0.018245 0.001525 -0.010556 -0.001416 0.019037 16H 1pz -0.163035 -0.026744 0.001664 -0.015313 0.006737 -0.000228 16H 1px 0.029562 -0.041865 -0.003271 0.010798 -0.008294 -0.014607 16H 1py -0.081092 -0.010719 0.001708 -0.005411 0.011885 -0.000394 17H 1s 0.110503 -0.058712 -0.009286 0.003028 -0.000805 -0.024499 17H 2s 0.172020 -0.047700 -0.003493 0.010631 -0.054097 -0.025841 17H 3s -0.006564 0.004933 -0.004949 -0.007482 -0.004870 -0.012282 17H 1pz -0.067547 0.060052 0.001604 -0.005221 0.006184 0.020566 17H 1px -0.099277 0.017006 0.002428 0.002464 0.009262 0.019042 17H 1py 0.090861 -0.040156 -0.004489 0.004896 -0.002349 -0.012558 18H 1s 0.107412 -0.057945 0.006370 0.008494 -0.002402 -0.024767 18H 2s 0.175112 -0.045012 -0.000151 0.010283 0.049846 -0.032188 18H 3s -0.007765 0.004367 0.008112 -0.004195 0.002940 -0.013338 18H 1pz 0.069527 -0.060433 -0.000783 0.005586 0.003468 -0.021220 18H 1px 0.099907 -0.016114 0.003937 -0.000648 0.006574 -0.019820 18H 1py -0.086414 0.037844 -0.001652 -0.006922 -0.000478 0.011995 19H 1s -0.115554 -0.030801 -0.006677 -0.003952 -0.002764 0.004449 19H 2s -0.253698 0.011637 0.018135 -0.037267 -0.009504 -0.010775 19H 3s 0.004540 0.018059 0.003960 -0.009879 0.003780 0.017903 19H 1pz 0.157874 0.026957 -0.005503 0.014242 0.006205 -0.001383 19H 1px -0.029422 0.041240 0.002294 -0.011362 -0.006177 0.015942 19H 1py 0.084660 0.012103 -0.001111 0.005970 0.011779 -0.001661 20H 1s -0.158937 -0.178586 -0.169275 0.190071 0.653070 0.441472 20H 2s -0.398396 -0.503875 -0.413026 0.455427 1.643420 1.100600 20H 3s 0.196625 0.043914 0.104642 -0.135303 -0.442037 -0.323042 20H 1pz -0.073959 -0.142604 -0.140781 0.162818 0.557731 0.383051 20H 1px 0.058239 0.043858 0.010561 -0.024879 -0.073673 -0.027294 20H 1py -0.189087 -0.200362 -0.148753 0.156053 0.555108 0.368015 21H 1s -0.045364 0.044631 0.174490 -0.139447 -0.546277 -0.510485 21H 2s -0.047115 0.046144 0.455446 -0.348548 -1.398120 -1.307456 21H 3s 0.067842 -0.014957 -0.086541 0.051476 0.305355 0.283181 21H 1pz 0.013964 -0.020234 -0.116356 0.099914 0.389222 0.345841 21H 1px 0.038141 -0.015021 -0.175390 0.127250 0.512962 0.502221 21H 1py -0.028834 -0.031480 -0.047305 0.044815 0.153953 0.136739 22H 1s -0.053672 0.008695 -0.050148 -0.019129 0.044245 0.036359 22H 2s 0.038055 0.099151 -0.086460 -0.080387 0.064884 0.096123 22H 3s 0.023161 0.058529 0.010521 0.004799 -0.036483 0.017244 22H 1pz -0.017977 -0.059194 -0.001789 0.050353 0.070662 0.050224 22H 1px -0.031102 -0.007627 -0.055263 -0.005965 0.114126 0.078540 22H 1py 0.015054 0.027517 -0.044076 0.019140 0.126332 0.111000 23H 1s 0.047223 0.028446 -0.675771 0.379241 -0.129637 -0.230159 23H 2s -0.000787 0.022747 -1.718702 0.962899 -0.333949 -0.589165 23H 3s -0.090834 -0.019810 0.391544 -0.227058 0.107512 0.157561 23H 1pz -0.052945 0.042796 -0.235700 0.129018 -0.040089 -0.074103 23H 1px -0.009015 -0.001667 0.246936 -0.140151 0.036293 0.098298 23H 1py -0.033629 -0.000099 0.751673 -0.427859 0.158826 0.257307 24H 1s 0.145741 -0.167112 0.726397 -0.364226 0.170969 0.138778 24H 2s 0.307929 -0.477171 1.824069 -0.916225 0.479700 0.362464 24H 3s -0.212247 0.065574 -0.470744 0.236052 -0.122139 -0.104590 24H 1pz -0.159094 0.181719 -0.523086 0.254242 -0.127329 -0.096544 24H 1px -0.092573 0.136632 -0.521441 0.263668 -0.144236 -0.090082 24H 1py 0.015162 -0.083780 0.489686 -0.253217 0.114909 0.105280 25H 1s 0.150414 -0.062096 0.051382 0.043192 -0.061405 0.016597 25H 2s 0.151008 -0.006761 0.100487 0.068088 -0.157299 0.064977 25H 3s -0.083528 0.131985 -0.036828 -0.057815 0.069860 0.012698 25H 1pz -0.014831 -0.023863 -0.146372 0.050110 0.010158 -0.048416 25H 1px 0.119220 -0.045702 0.030185 0.058893 -0.067375 0.013746 25H 1py 0.033640 -0.057321 0.142662 -0.075138 0.041720 0.032173 26O 1s 0.007796 -0.010498 -0.004689 -0.000938 0.002673 0.001422 26O 2s 0.026890 -0.036976 -0.019830 -0.006331 0.009946 0.007021 26O 3s -0.133941 0.344107 0.271187 0.148581 -0.097009 -0.108149 26O 4s -0.269511 -0.936917 -0.839914 -0.615800 0.232007 0.336996 26O 5s 0.147840 1.470687 -0.570428 -0.594976 -0.151844 0.653858 26O 1pz 0.071656 -0.085680 -0.021504 -0.003393 -0.002437 -0.015849 26O 1px 0.047407 -0.062780 -0.082092 -0.053996 0.024335 0.039199 26O 1py 0.056508 -0.075652 -0.021420 0.015761 0.019454 -0.000250 26O 2pz -0.178262 0.309053 0.089208 0.017672 0.020598 0.054723 26O 2px 0.323641 0.184826 0.574965 0.502973 -0.093147 -0.289277 26O 2py 0.039925 0.245651 0.180389 0.057797 -0.068215 -0.043390 26O 3pz 0.551762 0.504910 -0.027370 -0.042050 -0.059173 0.133481 26O 3px 0.343605 -0.119964 0.254084 0.264117 0.067730 -0.130906 26O 3py 0.440748 0.255587 0.029823 0.044377 0.071097 0.040653 26O 1dz2 -0.029824 0.005961 -0.003354 -0.004185 -0.009124 0.003263 26O 1dxz 0.004014 0.000992 -0.003518 -0.005283 0.003546 0.007676 26O 1dyz -0.016809 -0.000354 -0.008935 -0.007363 0.002291 -0.001742 26O 1dx2y2 0.025679 -0.008419 0.006427 0.008033 -0.003216 -0.002476 26O 1dxy 0.022606 -0.006412 0.006682 0.011691 -0.002713 -0.005595 26O 2dz2 0.119061 0.063483 0.109028 0.108869 -0.019261 -0.041421 26O 2dxz 0.179772 -0.110079 -0.015988 0.035820 0.006300 -0.022748 26O 2dyz 0.152613 0.002167 -0.018878 0.009760 0.002287 0.001136 26O 2dx2y2 -0.158388 -0.014032 -0.152012 -0.163952 0.012391 0.079179 26O 2dxy 0.011280 -0.068558 -0.079139 -0.019701 0.019885 0.021339 26O 1f0 0.000321 0.014891 -0.007963 -0.018616 0.007587 0.010256 26O 1f+1 -0.014312 -0.004568 0.040157 0.065103 0.006675 -0.028970 26O 1f-1 0.028763 0.063877 0.019672 0.025218 0.012965 0.005711 26O 1f+2 -0.022677 -0.009181 0.021061 0.041714 0.004165 -0.026233 26O 1f-2 0.025370 -0.021165 -0.008408 -0.006799 0.004651 0.003095 26O 1f+3 -0.004954 0.000966 -0.006463 -0.017582 -0.007195 0.003796 26O 1f-3 -0.023743 0.002974 -0.018929 -0.042851 -0.012746 0.012184 27O 1s -0.007364 -0.007305 -0.000843 0.002223 -0.005404 0.004355 27O 2s -0.025823 -0.025383 -0.002061 0.011167 -0.023822 0.021154 27O 3s 0.152629 0.246582 -0.004107 -0.189094 0.357929 -0.342210 27O 4s 0.056091 -0.768931 0.077230 0.714023 -1.183347 1.199027 27O 5s 0.312285 1.362996 0.498662 0.417220 -0.893650 1.090107 27O 1pz -0.030432 -0.035239 -0.000739 -0.018198 0.023065 -0.041487 27O 1px -0.048580 -0.055396 0.028007 0.063691 -0.097263 0.101184 27O 1py 0.059699 0.071856 -0.017434 -0.021833 0.034347 -0.005560 27O 2pz 0.095687 0.123330 0.021032 0.091910 -0.131645 0.214882 27O 2px -0.277018 0.203177 -0.178050 -0.513622 0.827629 -0.869684 27O 2py -0.078616 -0.263017 0.070501 0.117298 -0.203699 0.081893 27O 3pz -0.123619 0.314940 0.059727 -0.007767 -0.123115 0.138392 27O 3px -0.383067 0.032251 -0.140825 -0.231945 0.406728 -0.415776 27O 3py 0.349536 -0.531359 -0.069534 0.033496 0.000623 -0.039938 27O 1dz2 0.014413 0.000081 -0.002179 0.007238 -0.008490 0.011578 27O 1dxz 0.004497 0.005088 0.003128 0.002623 -0.001614 0.005871 27O 1dyz -0.018743 0.004871 -0.001446 0.002877 0.009895 0.002738 27O 1dx2y2 -0.033334 -0.005130 -0.001366 -0.010337 0.017346 -0.018024 27O 1dxy 0.000890 0.001653 -0.003581 -0.000536 0.004866 -0.008516 27O 2dz2 -0.022557 0.012941 -0.023519 -0.062949 0.116479 -0.110129 27O 2dxz -0.106589 0.000519 -0.023794 -0.068568 0.113726 -0.148257 27O 2dyz 0.047939 -0.059205 -0.000527 0.021139 -0.006512 0.014005 27O 2dx2y2 0.133828 -0.071787 0.039947 0.148258 -0.240668 0.256537 27O 2dxy 0.107458 0.059909 -0.013953 -0.018963 0.067714 -0.008940 27O 1f0 0.005831 -0.034704 -0.000022 0.003465 -0.001112 -0.009343 27O 1f+1 0.015733 -0.014749 0.005443 0.021930 -0.043490 0.044069 27O 1f-1 -0.003130 -0.027426 -0.007286 -0.002653 0.003976 -0.019772 27O 1f+2 0.019128 -0.046405 -0.004843 -0.004140 0.001007 -0.027384 27O 1f-2 0.024391 0.005836 -0.000613 -0.000772 0.008188 -0.017808 27O 1f+3 0.007111 0.020154 -0.002856 -0.031848 0.057019 -0.064630 27O 1f-3 -0.004606 -0.020872 -0.003289 -0.006788 0.003705 -0.021567 28O 1s 0.008559 -0.009716 -0.000964 0.003882 0.001289 -0.003088 28O 2s 0.028055 -0.031277 -0.004873 0.011649 0.002552 -0.010793 28O 3s -0.121293 0.240272 0.085658 -0.050665 0.026831 0.102698 28O 4s -0.299639 -0.608002 -0.253747 -0.015720 -0.227168 -0.304860 28O 5s 0.228305 1.496431 -0.075730 -0.171731 -0.528125 0.244510 28O 1pz 0.061455 -0.067791 0.005521 0.036006 -0.029952 -0.035408 28O 1px -0.040032 0.031062 0.011002 -0.012681 0.022691 0.023727 28O 1py 0.022098 -0.040033 -0.023637 -0.030894 -0.012299 0.010549 28O 2pz 0.211909 0.094107 0.077547 0.022693 0.213075 0.108392 28O 2px -0.268398 0.012793 -0.118089 -0.079015 -0.214391 -0.104257 28O 2py 0.029139 0.094936 0.110396 0.157763 0.051188 -0.050750 28O 3pz 0.628515 0.436006 0.110853 0.003610 0.006864 0.100653 28O 3px -0.095200 0.328154 -0.028633 -0.034290 -0.164696 0.014540 28O 3py 0.368387 0.358223 -0.003757 -0.101839 -0.023914 0.147632 28O 1dz2 0.006957 -0.012995 0.000338 0.002483 -0.003962 -0.004521 28O 1dxz -0.043032 0.018947 -0.014723 -0.024261 -0.007699 0.005269 28O 1dyz -0.007078 -0.009192 0.004315 0.012233 0.001606 -0.003051 28O 1dx2y2 0.016086 -0.006239 -0.007383 -0.008020 -0.001621 0.004686 28O 1dxy -0.017868 0.003730 -0.009269 -0.011779 0.002970 0.004615 28O 2dz2 0.067684 0.040486 -0.012375 0.005975 0.002373 0.020344 28O 2dxz 0.135225 -0.002611 0.060487 0.046348 0.070505 0.021569 28O 2dyz 0.081718 0.061297 -0.038753 -0.048599 -0.003337 0.039965 28O 2dx2y2 -0.121437 -0.005328 -0.029977 -0.019590 -0.052682 -0.032281 28O 2dxy 0.017801 0.010574 0.037124 0.055452 0.011471 -0.018910 28O 1f0 -0.007903 -0.011055 -0.010152 -0.014577 0.003364 0.009243 28O 1f+1 0.015293 -0.009398 -0.009983 -0.031208 -0.009294 0.003791 28O 1f-1 0.055184 0.017936 -0.000020 -0.000042 0.007643 0.007728 28O 1f+2 0.007594 -0.021850 -0.033116 -0.052774 -0.005499 0.009371 28O 1f-2 0.022387 0.030707 0.021900 0.021780 -0.002390 -0.007431 28O 1f+3 0.030376 0.010132 0.031583 0.058468 0.004489 -0.016077 28O 1f-3 0.010773 -0.021106 0.012584 0.026542 0.001460 -0.014216 29O 1s -0.001113 -0.005670 -0.000472 0.000388 -0.001807 -0.002087 29O 2s -0.003688 -0.018617 -0.001568 0.001446 -0.006234 -0.006800 29O 3s 0.024910 0.129513 0.012969 -0.014680 0.057130 0.050551 29O 4s -0.038627 -0.116033 -0.025310 0.022923 -0.138095 -0.070864 29O 5s 0.109364 0.009010 0.039407 0.029426 0.224108 0.071721 29O 1pz 0.080603 0.033322 -0.002461 -0.001720 0.000952 -0.001241 29O 1px 0.014636 -0.124916 -0.005366 0.011009 -0.007250 -0.037080 29O 1py -0.000803 0.001137 0.000280 0.007735 0.001103 0.006686 29O 2pz -0.375036 -0.066462 0.006408 -0.009641 0.008590 0.013626 29O 2px -0.088408 0.316895 0.013149 -0.026853 0.024393 0.100655 29O 2py 0.008281 -0.037224 -0.002281 -0.021399 0.000376 -0.025594 29O 3pz -0.042991 0.027330 0.014679 -0.025356 0.041940 -0.001436 29O 3px -0.034395 -0.020569 -0.005155 -0.002862 -0.044492 -0.030828 29O 3py -0.018109 0.016707 -0.005122 0.005539 -0.041203 -0.008920 29O 1dz2 -0.000347 0.003618 0.002047 -0.000729 0.002539 0.003248 29O 1dxz 0.005195 0.002947 -0.003794 0.000651 -0.001503 -0.001365 29O 1dyz 0.009273 0.001827 -0.002512 0.000345 -0.004019 -0.000454 29O 1dx2y2 0.001943 -0.015848 -0.002431 0.000861 -0.003423 -0.006480 29O 1dxy 0.006478 -0.009700 -0.003193 0.002372 0.003946 0.000287 29O 2dz2 0.102702 0.040044 0.000068 0.005564 -0.004918 0.008227 29O 2dxz -0.066359 0.064765 0.000859 -0.003280 0.002670 0.016824 29O 2dyz 0.170905 -0.003191 -0.007240 0.008228 -0.012250 -0.013010 29O 2dx2y2 -0.030890 -0.075723 -0.002640 0.002061 -0.003521 -0.019615 29O 2dxy 0.067122 -0.070412 -0.006111 0.007754 -0.003136 -0.018757 29O 1f0 0.007002 -0.003745 0.000441 0.001400 -0.004369 -0.001029 29O 1f+1 0.019413 0.002978 0.002717 0.001727 0.003492 0.002652 29O 1f-1 0.021132 0.008904 -0.001531 0.001535 0.001733 0.001830 29O 1f+2 -0.008969 0.020074 -0.002684 -0.001319 0.002104 0.009050 29O 1f-2 -0.027857 0.015118 0.003981 -0.001645 -0.002362 0.005880 29O 1f+3 0.012268 0.031836 0.002976 -0.001661 0.003795 0.010505 29O 1f-3 0.006997 -0.001804 0.002954 -0.002105 -0.008989 -0.005457 30O 1s -0.008676 -0.008425 -0.001593 -0.004902 -0.000997 -0.007229 30O 2s -0.030523 -0.028539 -0.005337 -0.018672 -0.007252 -0.024966 30O 3s 0.208653 0.267766 0.046501 0.187685 0.167231 0.212330 30O 4s -0.175499 -0.841712 -0.126412 -0.447190 -0.589359 -0.506821 30O 5s 0.217862 1.313153 0.272719 -0.246476 -0.296783 0.053553 30O 1pz -0.046014 -0.058304 0.000668 -0.024306 -0.037749 -0.012908 30O 1px 0.015472 0.014132 0.005052 0.053697 0.006828 0.067740 30O 1py 0.067878 0.063362 0.002694 0.029842 0.004119 0.059985 30O 2pz -0.057877 0.199476 -0.005600 0.088263 0.303686 -0.007592 30O 2px 0.151325 -0.079560 -0.027862 -0.234901 -0.218911 -0.246254 30O 2py 0.016909 -0.213166 0.004943 -0.108822 -0.213577 -0.128780 30O 3pz -0.281269 0.281191 -0.069452 -0.014388 0.017138 0.227370 30O 3px 0.047572 0.333183 0.072746 -0.049940 -0.110993 0.004336 30O 3py 0.344102 -0.506110 -0.005599 -0.002727 -0.104317 -0.187693 30O 1dz2 -0.002524 0.004026 -0.006535 -0.008216 0.012612 -0.015182 30O 1dxz 0.022712 0.007545 -0.005557 -0.003482 -0.008822 0.006023 30O 1dyz 0.004966 0.010774 0.005601 0.002818 -0.016072 0.019169 30O 1dx2y2 -0.005665 0.007470 -0.000650 0.005298 -0.006675 0.014543 30O 1dxy -0.036632 -0.004406 -0.005637 -0.009599 0.021964 -0.019279 30O 2dz2 -0.013447 -0.016410 0.004709 0.031213 -0.006352 0.052050 30O 2dxz -0.069929 0.066096 -0.008044 0.027830 0.110053 0.017351 30O 2dyz 0.051222 -0.034077 -0.011674 0.020671 0.106564 -0.044419 30O 2dx2y2 0.106784 -0.046726 -0.018610 -0.021689 -0.007731 -0.063230 30O 2dxy 0.033653 -0.069594 -0.006950 -0.046924 -0.097279 -0.039342 30O 1f0 0.029342 -0.032001 0.005403 0.027862 -0.038391 0.042945 30O 1f+1 -0.009257 -0.011536 -0.002796 -0.013994 0.027785 -0.041709 30O 1f-1 0.002536 -0.002355 -0.003387 0.010173 -0.019410 0.020667 30O 1f+2 0.014633 -0.021666 -0.000319 -0.003190 0.003265 -0.021923 30O 1f-2 -0.001827 -0.035725 0.005621 0.015367 -0.052363 0.043620 30O 1f+3 -0.036275 0.003125 -0.006914 -0.004394 -0.002726 0.000694 30O 1f-3 -0.002230 0.018659 -0.001522 -0.011961 0.005349 -0.011608 31O 1s -0.008769 -0.008468 0.003723 -0.003335 0.000061 -0.007451 31O 2s -0.030963 -0.028625 0.013598 -0.013052 0.004067 -0.026487 31O 3s 0.214715 0.266838 -0.131539 0.134074 -0.140990 0.246428 31O 4s -0.198602 -0.835823 0.329357 -0.306608 0.529112 -0.627980 31O 5s 0.234722 1.316479 -0.113675 -0.344552 0.309794 -0.010188 31O 1pz 0.047519 0.058581 -0.011566 0.019910 -0.037331 0.019991 31O 1px -0.016125 -0.014368 0.030380 -0.042253 -0.001379 -0.069713 31O 1py -0.069253 -0.063904 0.016408 -0.023061 -0.003864 -0.061897 31O 2pz 0.052547 -0.197350 0.040590 -0.072754 0.310509 -0.051438 31O 2px -0.144295 0.076691 -0.139510 0.179488 -0.190621 0.293710 31O 2py -0.013026 0.211650 -0.049556 0.091298 -0.197378 0.174635 31O 3pz 0.277360 -0.282162 -0.067581 -0.027665 -0.014068 -0.229956 31O 3px -0.052359 -0.334320 0.038515 0.077534 -0.114101 0.019792 31O 3py -0.332236 0.504652 -0.006696 -0.000620 -0.081436 0.206750 31O 1dz2 -0.002839 0.004048 0.009536 -0.003337 -0.014723 -0.013229 31O 1dxz 0.022632 0.007919 0.006599 0.000224 0.009567 0.003861 31O 1dyz 0.004645 0.011027 -0.005815 -0.000718 0.018900 0.016516 31O 1dx2y2 -0.005622 0.007740 -0.001878 0.004700 0.008297 0.013161 31O 1dxy -0.037208 -0.004621 0.009211 -0.004920 -0.024463 -0.015227 31O 2dz2 -0.013148 -0.016666 -0.019125 0.023790 0.014069 0.052249 31O 2dxz -0.067723 0.064965 -0.007379 0.026884 -0.109463 0.038489 31O 2dyz 0.050518 -0.035223 -0.000395 0.023689 -0.113096 -0.023950 31O 2dx2y2 0.104790 -0.046405 0.026574 -0.007082 0.000368 -0.065817 31O 2dxy 0.030545 -0.067857 0.029448 -0.035181 0.092512 -0.059488 31O 1f0 -0.029796 0.031545 0.017736 -0.020859 -0.044248 -0.036235 31O 1f+1 0.009228 0.011734 -0.009070 0.010569 0.034130 0.037083 31O 1f-1 -0.002471 0.002230 0.001995 -0.010794 -0.022889 -0.017359 31O 1f+2 -0.014732 0.021691 -0.002124 0.002506 0.006487 0.021634 31O 1f-2 0.001587 0.035406 0.011969 -0.009879 -0.058930 -0.034828 31O 1f+3 0.036857 -0.002980 -0.007777 -0.000640 -0.004029 -0.000588 31O 1f-3 0.002427 -0.018744 -0.007152 0.009253 0.007046 0.011115 32O 1s -0.001236 -0.005606 0.000244 0.000603 0.001502 -0.002378 32O 2s -0.004078 -0.018404 0.000736 0.002139 0.005232 -0.007813 32O 3s 0.028064 0.127862 -0.004792 -0.020050 -0.049484 0.060226 32O 4s -0.043159 -0.112697 0.012179 0.034249 0.126563 -0.094944 32O 5s 0.107994 0.002228 -0.050329 0.002841 -0.212003 0.107851 32O 1pz -0.080519 -0.033054 -0.003138 -0.000155 0.001103 0.001381 32O 1px -0.011589 0.124295 0.000603 -0.012737 -0.002291 0.037882 32O 1py -0.000365 -0.000738 0.003875 -0.006527 0.000252 -0.006562 32O 2pz 0.372311 0.065779 0.002020 0.012732 0.006487 -0.015958 32O 2px 0.081393 -0.315062 -0.000987 0.031030 0.010808 -0.103065 32O 2py -0.001273 0.035417 -0.012311 0.017439 0.003822 0.023730 32O 3pz 0.041540 -0.025697 0.000546 0.029423 0.041871 -0.006324 32O 3px 0.034682 0.018948 -0.005954 -0.001648 -0.040151 0.038095 32O 3py 0.016423 -0.017758 -0.002130 -0.006101 -0.038717 0.014343 32O 1dz2 -0.000050 0.003476 -0.001412 -0.001889 -0.002235 0.003711 32O 1dxz 0.005385 0.003160 0.002932 0.002683 0.001226 -0.001788 32O 1dyz 0.009344 0.001690 0.001986 0.001716 0.003826 -0.001287 32O 1dx2y2 0.001110 -0.015631 0.001638 0.002015 0.002413 -0.007106 32O 1dxy 0.005913 -0.009740 0.001664 0.004087 -0.003843 0.000728 32O 2dz2 0.095535 0.040788 -0.002632 0.004378 0.005385 0.007792 32O 2dxz -0.068251 0.065147 0.000591 -0.003803 -0.000653 0.017269 32O 2dyz 0.171749 -0.002175 0.002645 0.011719 0.010424 -0.015216 32O 2dx2y2 -0.035608 -0.074708 0.001248 0.002809 0.000582 -0.019436 32O 2dxy 0.062528 -0.069387 0.001767 0.010301 0.000526 -0.018738 32O 1f0 -0.005898 0.004043 0.001082 -0.000762 -0.004217 0.001833 32O 1f+1 -0.020106 -0.002553 0.002956 -0.000012 0.003207 -0.003215 32O 1f-1 -0.021274 -0.009525 -0.000596 -0.002314 0.001294 -0.002439 32O 1f+2 0.008826 -0.019261 -0.002800 -0.000331 0.000765 -0.008854 32O 1f-2 0.027063 -0.014312 0.002651 0.003797 -0.003052 -0.005434 32O 1f+3 -0.011834 -0.032265 0.001852 0.003226 0.002358 -0.011784 32O 1f-3 -0.007376 0.001459 0.001589 0.003755 -0.008170 0.006983 33O 1s 0.008783 -0.009842 -0.000941 0.003883 -0.001679 -0.002856 33O 2s 0.028561 -0.031570 -0.001114 0.012840 -0.003973 -0.010385 33O 3s -0.119415 0.239201 -0.050647 -0.094568 -0.011684 0.109584 33O 4s -0.320836 -0.597245 0.225678 0.139317 0.178562 -0.351311 33O 5s 0.220546 1.511483 0.143298 -0.098654 0.554955 0.150047 33O 1pz -0.060532 0.068008 0.022829 -0.028605 -0.024497 0.039997 33O 1px 0.040317 -0.031209 0.004878 0.016937 0.019304 -0.027334 33O 1py -0.021631 0.039858 -0.037047 0.013707 -0.013836 -0.007913 33O 2pz -0.224759 -0.086255 0.070672 0.031675 0.192370 -0.148100 33O 2px 0.281550 -0.020949 -0.142072 -0.002148 -0.195922 0.143888 33O 2py -0.032127 -0.092219 0.176741 -0.073926 0.057719 0.038590 33O 3pz -0.643451 -0.434951 0.100565 0.061403 -0.005653 -0.102802 33O 3px 0.101038 -0.333464 -0.037834 0.010704 -0.164741 0.015044 33O 3py -0.376237 -0.359675 -0.055556 0.086856 -0.043416 -0.144034 33O 1dz2 0.007536 -0.013272 -0.000438 0.001238 0.003595 -0.004936 33O 1dxz -0.044036 0.019879 0.024092 -0.012174 0.008031 0.003099 33O 1dyz -0.006405 -0.009564 -0.009807 0.008249 -0.001928 -0.002633 33O 1dx2y2 0.016366 -0.006240 0.010593 -0.002960 0.002325 0.004014 33O 1dxy -0.018283 0.004203 0.013395 -0.004468 -0.002497 0.004674 33O 2dz2 0.067367 0.041434 0.004753 0.013866 -0.000010 0.019425 33O 2dxz 0.143774 -0.007346 -0.072382 0.002513 -0.065416 0.036131 33O 2dyz 0.082612 0.062410 0.057814 -0.019300 0.008697 0.037418 33O 2dx2y2 -0.126450 -0.002858 0.035241 0.000886 0.047278 -0.042347 33O 2dxy 0.019778 0.009264 -0.060405 0.026887 -0.014009 -0.015420 33O 1f0 0.008176 0.010874 -0.016568 0.006929 0.001933 -0.009474 33O 1f+1 -0.015735 0.009458 -0.026519 0.022590 -0.009955 -0.002479 33O 1f-1 -0.056090 -0.017145 -0.002377 0.001035 0.006107 -0.009496 33O 1f+2 -0.006981 0.021175 -0.056383 0.027220 -0.006605 -0.007643 33O 1f-2 -0.022637 -0.030082 0.028971 -0.005683 -0.001695 0.006771 33O 1f+3 -0.030906 -0.009321 0.057092 -0.032655 0.006376 0.014311 33O 1f-3 -0.011266 0.021478 0.024896 -0.016071 0.003374 0.013570 34O 1s -0.007314 -0.007314 -0.000384 0.002223 0.005844 0.003321 34O 2s -0.025497 -0.025378 -0.003742 0.010109 0.026045 0.016599 34O 3s 0.146850 0.245095 0.095328 -0.152372 -0.395594 -0.273996 34O 4s 0.078757 -0.760972 -0.409136 0.547027 1.318942 0.975641 34O 5s 0.313472 1.368083 -0.627516 0.077164 1.024036 0.924641 34O 1pz 0.030047 0.035501 -0.009659 0.014754 0.029039 0.037886 34O 1px 0.045370 0.055716 0.055083 -0.037098 -0.108519 -0.083395 34O 1py -0.057650 -0.072616 -0.025655 0.008629 0.034837 -0.000061 34O 2pz -0.097139 -0.124730 0.062567 -0.064950 -0.161556 -0.193612 34O 2px 0.293036 -0.198234 -0.399027 0.328385 0.927633 0.715442 34O 2py 0.073518 0.264995 0.117247 -0.059432 -0.212503 -0.046048 34O 3pz 0.129139 -0.316370 0.046698 0.037447 -0.140412 -0.115504 34O 3px 0.387804 -0.026694 -0.228970 0.119403 0.455188 0.339615 34O 3py -0.354610 0.528652 -0.044971 -0.069841 0.006748 0.041541 34O 1dz2 0.014381 0.000287 -0.001719 0.007650 0.009943 0.009870 34O 1dxz 0.004712 0.005086 -0.003993 0.000286 0.002206 0.005709 34O 1dyz -0.018166 0.004710 -0.000210 0.003054 -0.009575 0.004661 34O 1dx2y2 -0.033300 -0.005391 0.006035 -0.007754 -0.019567 -0.014721 34O 1dxy 0.000946 0.001590 0.003209 0.001497 -0.006127 -0.007900 34O 2dz2 -0.024864 0.012161 0.050229 -0.038551 -0.127994 -0.087466 34O 2dxz -0.108091 -0.001011 0.052535 -0.044989 -0.133937 -0.128916 34O 2dyz 0.049676 -0.059006 -0.009421 0.018160 0.008378 0.013235 34O 2dx2y2 0.138910 -0.069209 -0.104925 0.101573 0.270723 0.211518 34O 2dxy 0.106908 0.060937 0.021754 -0.008146 -0.067787 0.003753 34O 1f0 -0.005703 0.034638 0.001524 -0.002836 0.000845 0.009995 34O 1f+1 -0.015491 0.014470 0.014868 -0.016052 -0.050763 -0.037195 34O 1f-1 0.003412 0.027204 -0.007280 -0.002185 0.006880 0.019554 34O 1f+2 -0.018595 0.046419 -0.006133 0.000460 0.004379 0.027432 34O 1f-2 -0.024149 -0.006006 -0.000960 0.000324 0.011497 0.017228 34O 1f+3 -0.006855 -0.019954 -0.017640 0.025571 0.066394 0.054771 34O 1f-3 0.004710 0.021275 -0.005814 0.003807 0.006078 0.020655 35O 1s 0.007947 -0.010533 0.004438 0.002012 -0.002485 0.001602 35O 2s 0.027381 -0.037013 0.019841 0.006510 -0.009065 0.007534 35O 3s -0.135478 0.341370 -0.299347 -0.036464 0.084620 -0.108235 35O 4s -0.273765 -0.921052 0.997352 -0.019809 -0.196344 0.325358 35O 5s 0.111435 1.488947 0.755116 -0.158728 0.230561 0.589247 35O 1pz -0.074703 0.086621 -0.021108 -0.009395 -0.000190 0.016821 35O 1px -0.048794 0.062368 -0.095417 -0.003108 0.019791 -0.038637 35O 1py -0.059155 0.076526 -0.009087 -0.027875 0.019713 -0.001627 35O 2pz 0.185781 -0.311941 0.088552 0.036169 0.012551 -0.061129 35O 2px -0.333973 -0.171698 0.722279 -0.083629 -0.061863 0.270399 35O 2py -0.037980 -0.244725 0.172440 0.065559 -0.065353 0.043020 35O 3pz -0.539495 -0.504718 -0.041102 0.017812 -0.076517 -0.118907 35O 3px -0.351671 0.130406 0.337560 -0.071616 0.080225 0.105146 35O 3py -0.436890 -0.251800 0.045342 -0.017334 0.061689 -0.055633 35O 1dz2 -0.030654 0.006372 0.004440 -0.001198 0.009194 0.001216 35O 1dxz 0.004128 0.001055 0.005623 -0.002462 -0.002474 0.008060 35O 1dyz -0.017694 -0.000069 0.011261 -0.001095 -0.002516 -0.001656 35O 1dx2y2 0.026216 -0.008752 -0.008959 0.002966 0.002970 -0.002584 35O 1dxy 0.022929 -0.006612 -0.011473 0.006193 0.001971 -0.005691 35O 2dz2 0.120240 0.060338 -0.144209 0.028035 0.015152 -0.038654 35O 2dxz 0.183148 -0.112504 -0.000734 0.038960 -0.008560 -0.021655 35O 2dyz 0.152694 0.000941 0.013384 0.018717 -0.001669 0.001095 35O 2dx2y2 -0.163458 -0.008556 0.206776 -0.049990 -0.003711 0.072533 35O 2dxy 0.011079 -0.067677 0.072622 0.034171 -0.018735 0.018921 35O 1f0 0.000143 -0.015288 -0.015246 0.011110 0.006404 -0.011113 35O 1f+1 0.014442 0.005091 0.068900 -0.034011 0.010403 0.026437 35O 1f-1 -0.029069 -0.063507 0.030333 -0.010733 0.011917 -0.008472 35O 1f+2 0.022901 0.009642 0.039899 -0.024519 0.007625 0.024738 35O 1f-2 -0.026147 0.021501 -0.012567 0.002009 0.003982 -0.004122 35O 1f+3 0.004837 -0.000856 -0.016246 0.012371 -0.007787 -0.002823 35O 1f-3 0.024867 -0.003765 -0.038891 0.027079 -0.014309 -0.009691 594 595 596 597 598 599 4.44953 4.45169 4.45300 4.46379 4.46933 4.47952 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s -0.000605 0.000521 0.000654 0.000524 -0.001187 0.000428 0Rh 2s 0.006113 -0.004524 -0.006185 -0.003375 0.010429 -0.003602 0Rh 3s 0.000037 0.000411 0.000213 0.001122 -0.000867 0.000408 0Rh 4s -0.034810 0.025927 0.035163 0.019790 -0.059589 0.020676 0Rh 5s 0.086327 -0.062745 -0.084572 -0.046400 0.142429 -0.049597 0Rh 6s -0.102369 0.067906 0.088165 0.044562 -0.145402 0.051455 0Rh 7s 0.183124 -0.106698 -0.142119 -0.051983 0.250728 -0.119842 0Rh 8s 0.068779 0.052801 -0.008841 0.010997 0.047654 0.029930 0Rh 1pz -0.001363 0.008138 0.000717 -0.000137 -0.000480 0.003965 0Rh 1px -0.000070 0.002143 -0.003620 0.004108 0.003335 -0.000438 0Rh 1py 0.009737 0.002312 0.002562 0.002399 0.001837 0.004603 0Rh 2pz 0.005425 -0.032755 -0.002749 0.000235 0.002015 -0.015904 0Rh 2px 0.000402 -0.008607 0.014514 -0.016529 -0.013430 0.001748 0Rh 2py -0.039131 -0.009291 -0.010416 -0.009608 -0.007047 -0.018574 0Rh 3pz -0.013381 0.088621 0.004393 0.007431 -0.007576 0.042688 0Rh 3px -0.003176 0.022884 -0.039534 0.046351 0.037538 -0.004654 0Rh 3py 0.105176 0.024844 0.032085 0.025905 0.010911 0.053594 0Rh 4pz 0.005440 -0.068225 0.009081 -0.044751 0.016379 -0.037290 0Rh 4px 0.007028 -0.016257 0.040872 -0.053595 -0.041008 0.004776 0Rh 4py -0.081815 -0.017882 -0.050205 -0.025399 0.027906 -0.068927 0Rh 5pz 0.021597 -0.059568 -0.038964 0.123741 -0.032521 -0.002602 0Rh 5px -0.000208 -0.016733 -0.029709 0.051730 0.031072 -0.000377 0Rh 5py -0.059630 -0.021548 0.075469 0.012456 -0.122014 0.079063 0Rh 6pz -0.062135 0.358857 0.107404 -0.409257 0.244803 0.067352 0Rh 6px -0.010328 -0.014182 0.196171 -0.227922 -0.302549 -0.076177 0Rh 6py 0.369694 0.183053 -0.147773 0.029317 0.508792 -0.192010 0Rh 1dz2 -0.002708 0.010546 0.000448 0.017077 -0.005996 -0.003765 0Rh 1dxz -0.004241 -0.011481 -0.002910 -0.014445 0.001018 -0.002357 0Rh 1dyz 0.005910 0.002399 0.011077 0.006298 -0.019967 -0.005355 0Rh 1dx2y2 0.012988 -0.004702 0.009154 -0.010441 -0.007000 -0.000400 0Rh 1dxy -0.008305 -0.003649 -0.010698 -0.004022 0.007914 -0.003945 0Rh 2dz2 -0.000653 0.001392 0.000027 0.001417 -0.000276 -0.000994 0Rh 2dxz -0.000603 -0.001840 0.000172 -0.002570 0.000292 -0.000878 0Rh 2dyz -0.000385 0.000406 0.001577 0.000331 -0.001464 -0.002319 0Rh 2dx2y2 0.001669 -0.000444 0.000649 -0.000206 -0.000695 0.000385 0Rh 2dxy -0.002098 -0.000304 -0.000804 -0.000065 0.001855 -0.003662 0Rh 3dz2 0.014177 -0.049742 -0.002286 -0.076815 0.025975 0.020319 0Rh 3dxz 0.020249 0.055618 0.011269 0.071218 -0.005497 0.013800 0Rh 3dyz -0.022298 -0.011831 -0.053521 -0.027754 0.089011 0.033267 0Rh 3dx2y2 -0.060991 0.021335 -0.040734 0.043786 0.032009 -0.000074 0Rh 3dxy 0.043794 0.016345 0.047383 0.016803 -0.040923 0.033566 0Rh 4dz2 -0.026498 0.084214 0.005760 0.121949 -0.040557 -0.039469 0Rh 4dxz -0.034411 -0.095837 -0.017107 -0.119190 0.009164 -0.026862 0Rh 4dyz 0.027921 0.021153 0.094202 0.046557 -0.142560 -0.071939 0Rh 4dx2y2 0.102025 -0.034947 0.065563 -0.064450 -0.051432 0.001820 0Rh 4dxy -0.081034 -0.026279 -0.072102 -0.024728 0.066968 -0.079196 0Rh 5dz2 0.055621 -0.144765 0.030577 -0.083468 0.056648 0.068721 0Rh 5dxz 0.043485 0.176747 0.033566 0.066931 0.006144 0.040652 0Rh 5dyz -0.011240 -0.021839 0.003322 -0.052658 0.191174 0.168677 0Rh 5dx2y2 -0.155757 0.064377 -0.051131 0.041461 0.041239 0.014538 0Rh 5dxy 0.181852 0.054270 0.088480 0.029284 0.040064 0.142397 0Rh 1f0 0.013956 -0.002125 -0.001145 0.006772 0.016620 -0.006194 0Rh 1f+1 0.000003 0.006173 -0.010205 -0.009459 0.001393 -0.001353 0Rh 1f-1 0.014481 0.021898 0.005008 -0.017075 0.020760 -0.002211 0Rh 1f+2 0.010339 -0.015159 0.000077 0.020625 0.003536 -0.004625 0Rh 1f-2 0.009965 0.003097 -0.028920 -0.005629 0.010935 -0.006852 0Rh 1f+3 -0.008076 0.009530 0.008883 -0.012064 -0.010140 0.001103 0Rh 1f-3 0.009049 0.001542 0.008556 0.005529 0.009665 0.008816 1Rh 1s -0.000690 0.000559 -0.000574 -0.000552 0.001198 0.000445 1Rh 2s 0.006922 -0.004937 0.005349 0.003674 -0.010513 -0.003758 1Rh 3s 0.000011 0.000395 -0.000233 -0.001112 0.000882 0.000415 1Rh 4s -0.039411 0.028264 -0.030408 -0.021499 0.060078 0.021565 1Rh 5s 0.097402 -0.068443 0.072724 0.050723 -0.143580 -0.051714 1Rh 6s -0.113946 0.074121 -0.073888 -0.050046 0.146486 0.053524 1Rh 7s 0.200581 -0.116017 0.115331 0.064118 -0.253722 -0.123455 1Rh 8s 0.068310 0.049626 -0.001144 -0.012858 -0.045980 0.029691 1Rh 1pz 0.001431 -0.008140 0.000592 0.000221 -0.000626 -0.003959 1Rh 1px -0.000359 -0.001907 -0.003513 0.004127 0.003354 0.000606 1Rh 1py -0.009448 -0.002119 0.003631 0.002471 0.001511 -0.004766 1Rh 2pz -0.005680 0.032748 -0.002259 -0.001201 0.002603 0.015878 1Rh 2px 0.001316 0.007663 0.014103 -0.016611 -0.013505 -0.002418 1Rh 2py 0.037950 0.008516 -0.014708 -0.009899 -0.005741 0.019214 1Rh 3pz 0.013655 -0.088224 0.003323 0.011173 -0.009179 -0.042589 1Rh 3px -0.001501 -0.020352 -0.038751 0.046702 0.037757 0.006405 1Rh 3py -0.101326 -0.022660 0.043490 0.026671 0.007350 -0.055028 1Rh 4pz -0.003879 0.066111 0.009056 -0.047078 0.017910 0.037142 1Rh 4px -0.002188 0.013804 0.040900 -0.054162 -0.041243 -0.006182 1Rh 4py 0.075083 0.015329 -0.058298 -0.025861 0.031326 0.068851 1Rh 5pz -0.027114 0.065252 -0.036392 0.119839 -0.032884 0.002616 1Rh 5px -0.003209 0.017944 -0.029992 0.051662 0.031019 0.000400 1Rh 5py 0.070599 0.024003 0.066154 0.011460 -0.122997 -0.074702 1Rh 6pz 0.078716 -0.377000 0.105826 -0.394004 0.242964 -0.066253 1Rh 6px 0.027004 0.011753 0.193656 -0.227573 -0.300276 0.068754 1Rh 6py -0.391870 -0.190650 -0.097368 0.034489 0.509429 0.166279 1Rh 1dz2 -0.002604 0.009538 -0.000262 -0.017821 0.005964 -0.003797 1Rh 1dxz -0.003843 -0.010744 0.003841 0.014461 -0.001153 -0.002514 1Rh 1dyz 0.004299 0.002007 -0.011800 -0.006405 0.019775 -0.005469 1Rh 1dx2y2 0.011507 -0.004135 -0.010871 0.011154 0.007092 -0.000325 1Rh 1dxy -0.006653 -0.003533 0.011508 0.004206 -0.008114 -0.003676 1Rh 2dz2 -0.000622 0.001313 0.000021 -0.001500 0.000247 -0.000978 1Rh 2dxz -0.000621 -0.001721 -0.000034 0.002577 -0.000331 -0.000879 1Rh 2dyz -0.000568 0.000375 -0.001580 -0.000361 0.001323 -0.002340 1Rh 2dx2y2 0.001557 -0.000431 -0.000861 0.000282 0.000711 0.000376 1Rh 2dxy -0.001934 -0.000295 0.000972 0.000064 -0.002011 -0.003602 1Rh 3dz2 0.013639 -0.045228 0.001295 0.080265 -0.025703 0.020378 1Rh 3dxz 0.018689 0.052048 -0.015738 -0.071314 0.006230 0.014458 1Rh 3dyz -0.014771 -0.010058 0.056491 0.028343 -0.087546 0.033826 1Rh 3dx2y2 -0.054387 0.018953 0.048765 -0.047073 -0.032458 -0.000354 1Rh 3dxy 0.036281 0.015832 -0.051483 -0.017552 0.042481 0.032191 1Rh 4dz2 -0.025708 0.077045 -0.003872 -0.127709 0.039837 -0.039488 1Rh 4dxz -0.032017 -0.089950 0.024736 0.119416 -0.010527 -0.027883 1Rh 4dyz 0.015212 0.018148 -0.098434 -0.047698 0.139067 -0.072796 1Rh 4dx2y2 0.091455 -0.031393 -0.078971 0.069882 0.052155 0.002336 1Rh 4dxy -0.069316 -0.025523 0.079523 0.025816 -0.070563 -0.076969 1Rh 5dz2 0.050778 -0.139798 -0.034905 0.092271 -0.054713 0.069874 1Rh 5dxz 0.038691 0.173155 -0.043998 -0.069837 -0.004182 0.041981 1Rh 5dyz -0.009640 -0.020305 0.000366 0.054065 -0.183065 0.169854 1Rh 5dx2y2 -0.146934 0.060984 0.071177 -0.049197 -0.041680 0.011707 1Rh 5dxy 0.169768 0.052999 -0.107118 -0.031187 -0.032336 0.144194 1Rh 1f0 -0.014327 0.002430 0.000554 0.006760 0.016520 0.005547 1Rh 1f+1 -0.001060 -0.006730 -0.009926 -0.009378 0.001455 0.001416 1Rh 1f-1 -0.014124 -0.022662 0.007090 -0.016223 0.020624 0.001570 1Rh 1f+2 -0.010549 0.016090 0.001241 0.019906 0.003602 0.004254 1Rh 1f-2 -0.013368 -0.003786 -0.027602 -0.005587 0.011140 0.006608 1Rh 1f+3 0.009317 -0.010011 0.008182 -0.011811 -0.010063 -0.000654 1Rh 1f-3 -0.008373 -0.001205 0.009605 0.005365 0.009294 -0.009288 2C 1s -0.000580 -0.001981 -0.002503 0.008568 -0.010199 0.001475 2C 2s -0.000444 0.001348 -0.004800 0.011572 -0.016662 -0.004036 2C 3s -0.005819 -0.131755 0.001404 -0.079633 0.070459 0.201714 2C 4s -0.012722 0.178365 0.127557 0.609185 -0.142412 -0.247941 2C 5s -0.481247 -1.559521 -0.524960 1.707735 -1.627070 1.517343 2C 1pz 0.005371 -0.005612 0.021116 -0.058672 0.057493 0.034380 2C 1px 0.004371 0.018251 0.001638 -0.050988 0.023464 -0.023490 2C 1py 0.009211 0.004695 0.009182 -0.034658 0.054379 0.009872 2C 2pz -0.042586 -0.554689 -0.192604 1.794658 -1.355376 0.433920 2C 2px 0.508754 0.421472 0.966362 1.496941 0.068123 1.391342 2C 2py -0.140263 -0.490130 -0.165446 1.602124 -1.279292 0.707044 2C 3pz -0.145305 -0.241435 -0.098295 0.103514 -0.118470 0.204135 2C 3px -0.044165 -0.050836 -0.221119 -0.039904 -0.223126 -0.201412 2C 3py -0.027324 -0.102493 -0.017865 -0.027495 -0.034585 0.057004 2C 1dz2 0.025426 -0.015091 0.017149 0.240395 -0.141731 0.137685 2C 1dxz -0.127931 -0.186591 -0.199877 -0.045552 -0.184868 -0.174251 2C 1dyz 0.064239 -0.016932 0.093882 0.348410 -0.129833 0.241022 2C 1dx2y2 0.030769 0.054243 0.083379 0.017361 0.088791 0.105113 2C 1dxy -0.023319 -0.056265 -0.031198 -0.064925 -0.003866 -0.081844 2C 2dz2 -0.016445 -0.128297 -0.068330 0.547549 -0.307580 0.191482 2C 2dxz -0.283538 -0.427514 -0.516393 -0.071983 -0.382668 -0.296794 2C 2dyz 0.143062 0.000295 0.251633 1.034235 -0.503024 0.576655 2C 2dx2y2 0.152172 0.236894 0.264782 0.306926 0.158897 0.341969 2C 2dxy 0.011793 -0.045767 -0.018565 0.054037 -0.096937 -0.102972 2C 1f0 0.080707 0.154592 0.119076 0.139597 0.115734 0.176475 2C 1f+1 0.019486 -0.003342 0.055529 -0.006754 0.080291 0.047545 2C 1f-1 -0.022607 0.002597 -0.073233 -0.025241 -0.061686 -0.141845 2C 1f+2 -0.122874 -0.246376 -0.221865 0.088188 -0.259900 -0.059091 2C 1f-2 -0.114463 -0.054954 -0.164398 -0.383281 0.113660 -0.329841 2C 1f+3 -0.051145 -0.195288 -0.099419 0.344445 -0.314957 0.152765 2C 1f-3 0.134705 0.140841 0.238744 0.205433 0.076638 0.277295 3C 1s 0.002684 -0.001834 -0.001862 0.007718 0.009555 -0.002838 3C 2s 0.003381 -0.002619 -0.000902 0.011183 0.016452 0.001598 3C 3s 0.025389 -0.013596 0.023390 -0.004621 -0.172263 -0.201158 3C 4s -0.072719 0.027350 -0.364109 0.024394 0.629499 0.336054 3C 5s 1.308962 -0.510229 -0.278704 1.333244 1.666753 -1.922121 3C 1pz -0.008159 0.006756 -0.003980 -0.025351 -0.027131 -0.018324 3C 1px -0.023604 0.011979 0.022636 -0.032049 -0.049531 0.026635 3C 1py 0.018633 -0.009936 -0.008884 0.032784 0.093309 0.019760 3C 2pz 0.865689 -0.566783 0.266675 0.916706 1.203186 -0.073393 3C 2px -0.407381 0.035450 -1.725993 0.742206 1.011543 -1.372027 3C 2py -0.048971 0.043206 0.957650 -0.952799 -1.589257 0.690215 3C 3pz 0.018742 0.038286 -0.077306 -0.026565 -0.092770 -0.204079 3C 3px 0.106844 0.017501 0.230970 0.044527 0.083700 0.097666 3C 3py -0.290095 0.131099 -0.098370 -0.128299 -0.201326 0.239657 3C 1dz2 -0.034196 0.012353 -0.032986 -0.011938 -0.009042 -0.016209 3C 1dxz 0.099961 -0.022861 0.194174 -0.006218 0.005792 0.160475 3C 1dyz 0.170425 -0.074580 0.351685 -0.099261 -0.137582 0.256159 3C 1dx2y2 -0.072191 0.070073 0.073484 -0.176732 -0.240719 0.102663 3C 1dxy -0.151973 0.082488 -0.057778 -0.107131 -0.141483 -0.003939 3C 2dz2 -0.040592 0.004524 0.025671 -0.046653 -0.230224 0.000005 3C 2dxz 0.283414 -0.068761 0.550706 -0.015896 -0.068563 0.379296 3C 2dyz 0.401852 -0.170049 0.932076 -0.379014 -0.499088 0.547311 3C 2dx2y2 -0.333573 0.249501 -0.055459 -0.300829 -0.526090 0.129672 3C 2dxy -0.292754 0.189365 -0.006065 -0.327569 -0.489198 0.141177 3C 1f0 -0.203543 0.138310 -0.032579 -0.207603 -0.324783 0.055313 3C 1f+1 -0.256307 0.119267 -0.298516 -0.051578 -0.109366 -0.154370 3C 1f-1 0.147860 -0.085117 0.226712 -0.093471 -0.050677 0.135063 3C 1f+2 0.086571 -0.055065 -0.136312 0.208249 0.205860 -0.250020 3C 1f-2 0.093745 -0.060928 -0.007171 0.151827 0.190555 -0.089600 3C 1f+3 0.043205 0.007600 0.131999 -0.059249 -0.070017 0.112986 3C 1f-3 0.259192 -0.083813 0.427110 -0.052650 -0.095504 0.301019 4C 1s 0.001719 0.003617 -0.001698 0.015384 -0.016312 -0.005876 4C 2s 0.003414 0.011205 -0.004130 0.017998 -0.025675 -0.019787 4C 3s 0.035077 -0.118988 0.011888 1.335892 -1.025837 0.272886 4C 4s -0.185800 0.327795 0.200299 -6.891935 5.736106 -0.687868 4C 5s 0.272739 0.789536 0.498677 -0.924233 1.190532 -0.369050 4C 1pz 0.004337 0.052952 0.010814 -0.149841 0.111987 -0.054302 4C 1px 0.014580 0.040642 0.006665 -0.035364 0.033152 -0.011795 4C 1py 0.004958 0.041769 0.013194 -0.099497 0.068081 -0.030406 4C 2pz -0.742212 -2.220167 -0.473859 0.726444 -0.366510 1.048113 4C 2px 2.160495 5.354244 1.700294 -0.386350 1.026366 -0.973116 4C 2py 0.348592 0.659177 0.269788 0.297004 0.233512 0.225300 4C 3pz -0.279688 -0.579831 -0.210447 -0.106544 -0.201432 0.441929 4C 3px 0.078683 0.217738 0.083706 -0.059737 0.039653 0.147010 4C 3py -0.151847 -0.308806 -0.204969 0.017463 -0.051842 0.334345 4C 1dz2 -0.095594 -0.234642 -0.035009 0.100936 -0.109566 0.107249 4C 1dxz 0.117010 0.346180 0.006521 -0.028643 -0.091631 -0.207284 4C 1dyz -0.004200 -0.020830 0.026202 -0.074339 0.109371 0.042263 4C 1dx2y2 0.015278 0.021060 0.014598 -0.217966 0.191311 0.019047 4C 1dxy 0.071296 0.273650 0.033158 -0.234427 0.162190 -0.122168 4C 2dz2 -0.328580 -0.753593 -0.389013 -0.114914 -0.100463 -0.167525 4C 2dxz 0.673220 1.662009 0.535275 0.343682 -0.036186 -0.299385 4C 2dyz -0.045462 0.137224 -0.052030 -0.932368 0.496866 -0.360747 4C 2dx2y2 -0.077530 -0.054266 0.021477 -0.584286 0.686124 0.128726 4C 2dxy 0.504540 1.154275 0.428053 -0.480927 0.637048 -0.170857 4C 1f0 -0.010724 -0.050554 -0.013322 0.028520 -0.128965 -0.088817 4C 1f+1 0.120768 0.172104 0.154396 0.338672 -0.156184 0.189224 4C 1f-1 -0.095634 -0.274012 -0.089708 0.236209 -0.220316 0.093141 4C 1f+2 -0.100377 -0.195454 -0.042542 -0.242300 0.182375 0.054760 4C 1f-2 0.205517 0.352011 0.194244 0.230422 0.019479 0.151458 4C 1f+3 -0.024438 -0.173012 -0.015759 0.095433 -0.018267 0.153613 4C 1f-3 -0.088862 -0.295588 -0.080814 0.250794 -0.188089 0.112716 5C 1s 0.000670 -0.000577 -0.006058 0.010635 0.019161 0.004014 5C 2s 0.001001 -0.000682 -0.004608 0.015022 0.029834 0.015593 5C 3s 0.016290 -0.014080 -0.706313 0.780571 1.214725 -0.324113 5C 4s -0.229223 0.142751 3.406113 -4.207382 -6.721513 1.120949 5C 5s -0.753294 0.140534 0.146367 -0.828853 -1.091006 0.612922 5C 1pz -0.012104 0.010433 0.036773 -0.045407 -0.070218 0.028818 5C 1px -0.039899 0.019077 0.020027 -0.032764 -0.059410 0.020148 5C 1py 0.036264 -0.028156 -0.060930 0.097956 0.128192 -0.058332 5C 2pz 1.813705 -0.745909 0.314674 0.354920 0.337837 -1.045284 5C 2px -5.062990 1.738421 -1.332323 -1.028452 -0.506567 2.050478 5C 2py -1.094562 0.535948 0.063596 -0.351795 -0.281651 1.008675 5C 3pz 0.474023 -0.182166 0.283639 0.052420 0.211031 -0.418990 5C 3px -0.031966 -0.031708 0.062659 -0.039549 0.034598 -0.242220 5C 3py -0.622684 0.203967 -0.393734 -0.171873 -0.061132 0.675443 5C 1dz2 0.100337 -0.023330 -0.109940 0.110737 0.206667 -0.095430 5C 1dxz -0.166565 0.046768 -0.013972 0.024758 0.090587 0.145895 5C 1dyz -0.118985 0.025199 -0.004154 0.060618 0.129719 0.139137 5C 1dx2y2 -0.240372 0.090839 0.081183 -0.202470 -0.222704 0.144811 5C 1dxy 0.303828 -0.125651 -0.040354 0.067904 0.049821 -0.242419 5C 2dz2 0.477328 -0.175930 -0.146383 0.502402 0.514349 -0.210148 5C 2dxz -0.823492 0.369306 -0.500258 0.122202 0.295153 0.279843 5C 2dyz -0.636967 0.204926 -0.758944 0.387519 0.825911 -0.088023 5C 2dx2y2 -0.836966 0.261448 -0.196658 -0.356778 -0.567776 0.082245 5C 2dxy 1.500451 -0.517403 0.356722 0.336749 0.201385 -0.720525 5C 1f0 -0.236269 0.079479 -0.005217 -0.076347 -0.060431 0.184990 5C 1f+1 0.225528 -0.066441 -0.044383 0.134691 0.201754 -0.169695 5C 1f-1 -0.260694 0.120441 -0.171989 -0.022738 -0.062359 -0.021387 5C 1f+2 -0.070773 0.047415 -0.045014 -0.068113 -0.141483 -0.074053 5C 1f-2 0.437940 -0.154026 0.346749 -0.097325 -0.247907 -0.005076 5C 1f+3 -0.008154 -0.006928 -0.297021 0.219284 0.273783 -0.265909 5C 1f-3 -0.109612 0.021494 0.018716 -0.136483 -0.142081 -0.029199 6C 1s 0.001820 -0.000839 0.005900 -0.010514 -0.019050 0.005287 6C 2s 0.002229 -0.001046 0.004478 -0.014760 -0.029360 0.018103 6C 3s 0.129337 -0.035396 0.689604 -0.780289 -1.227660 -0.273052 6C 4s -0.792179 0.255693 -3.309918 4.195112 6.765231 0.802325 6C 5s -0.794903 0.163700 -0.043224 0.818142 1.093581 0.560875 6C 1pz 0.018317 -0.011763 0.034646 -0.044754 -0.070925 -0.026947 6C 1px 0.043554 -0.020091 0.015235 -0.031798 -0.059741 -0.018985 6C 1py -0.046807 0.031290 -0.055403 0.096259 0.129310 0.054921 6C 2pz -1.778757 0.765306 0.519631 0.315089 0.340777 1.065779 6C 2px 4.912691 -1.804873 -1.914350 -0.928372 -0.494909 -2.030245 6C 2py 1.103694 -0.550863 -0.061116 -0.326045 -0.293696 -1.047893 6C 3pz -0.444838 0.184834 0.342274 0.041274 0.219104 0.405664 6C 3px 0.042813 0.027428 0.062744 -0.041786 0.041057 0.244389 6C 3py 0.580092 -0.214335 -0.471903 -0.160540 -0.078125 -0.668225 6C 1dz2 0.118463 -0.026845 0.094409 -0.109063 -0.208628 -0.086471 6C 1dxz -0.160518 0.046337 0.033738 -0.027477 -0.089467 0.154875 6C 1dyz -0.115415 0.024666 0.019165 -0.061163 -0.127059 0.150952 6C 1dx2y2 -0.254247 0.098041 -0.050264 0.196462 0.223679 0.134148 6C 1dxy 0.307376 -0.128363 0.004156 -0.061456 -0.052802 -0.246402 6C 2dz2 0.509284 -0.195198 0.088074 -0.492622 -0.516455 -0.183717 6C 2dxz -0.756035 0.371388 0.584660 -0.141662 -0.300744 0.306097 6C 2dyz -0.528083 0.200407 0.820463 -0.400355 -0.839816 -0.062152 6C 2dx2y2 -0.824969 0.276128 0.292365 0.338138 0.558450 0.037070 6C 2dxy 1.462163 -0.538258 -0.529929 -0.307810 -0.200231 -0.725329 6C 1f0 0.236173 -0.082808 -0.034098 -0.071768 -0.062039 -0.187138 6C 1f+1 -0.234045 0.071259 -0.015188 0.130050 0.203194 0.161392 6C 1f-1 0.240383 -0.121972 -0.197453 -0.015286 -0.057370 0.026960 6C 1f+2 0.070217 -0.049914 -0.050575 -0.065638 -0.139162 0.082688 6C 1f-2 -0.391700 0.155075 0.391355 -0.106232 -0.255028 0.012746 6C 1f+3 -0.032133 0.012796 -0.290434 0.219083 0.282433 0.261013 6C 1f-3 0.118829 -0.028088 0.005760 -0.135970 -0.142607 0.039927 7C 1s 0.001778 0.003011 0.001350 -0.015409 0.016118 -0.006348 7C 2s 0.003669 0.010668 0.003272 -0.018244 0.024982 -0.020605 7C 3s 0.024856 -0.183323 -0.007298 -1.325894 1.037484 0.247072 7C 4s -0.159776 0.646314 -0.205911 6.846460 -5.766799 -0.536544 7C 5s 0.228131 0.829376 -0.543994 0.881484 -1.189423 -0.331553 7C 1pz -0.004211 -0.059841 0.012069 -0.146133 0.113062 0.051680 7C 1px -0.014252 -0.042379 0.008955 -0.033482 0.033095 0.011020 7C 1py -0.004108 -0.046965 0.014455 -0.097922 0.069497 0.029461 7C 2pz 0.687644 2.249251 -0.591795 0.622849 -0.392462 -1.044221 7C 2px -1.968424 -5.347286 2.029612 -0.153234 1.013209 0.941405 7C 2py -0.320203 -0.637417 0.324773 0.327032 0.213592 -0.244048 7C 3pz 0.261680 0.569083 -0.255510 -0.137256 -0.212695 -0.437189 7C 3px -0.070395 -0.224041 0.095558 -0.053225 0.033875 -0.148041 7C 3py 0.130332 0.302708 -0.227760 -0.003798 -0.058872 -0.336526 7C 1dz2 -0.092240 -0.237693 0.049398 -0.090931 0.110789 0.103695 7C 1dxz 0.113903 0.348591 -0.027422 0.013356 0.085949 -0.209636 7C 1dyz -0.006579 -0.019306 -0.023079 0.075025 -0.108139 0.045268 7C 1dx2y2 0.015043 0.030815 -0.018256 0.215505 -0.189961 0.024438 7C 1dxy 0.068811 0.285025 -0.047053 0.220093 -0.164653 -0.117157 7C 2dz2 -0.282228 -0.737015 0.432002 0.144953 0.085806 -0.171228 7C 2dxz 0.611453 1.636650 -0.636536 -0.417691 0.041035 -0.297339 7C 2dyz -0.036239 0.181974 0.051834 0.923197 -0.513025 -0.352190 7C 2dx2y2 -0.073081 -0.030057 -0.013866 0.580399 -0.681103 0.154331 7C 2dxy 0.459800 1.172215 -0.504196 0.431888 -0.632283 -0.155922 7C 1f0 0.010774 0.052278 -0.017619 0.026885 -0.126466 0.093918 7C 1f+1 -0.100802 -0.150817 0.164441 0.343705 -0.166000 -0.183854 7C 1f-1 0.087002 0.284260 -0.104831 0.223235 -0.222161 -0.088183 7C 1f+2 0.094211 0.183838 -0.058572 -0.252889 0.182985 -0.056216 7C 1f-2 -0.183518 -0.338950 0.220931 0.241758 0.010401 -0.151459 7C 1f+3 0.022594 0.176638 -0.021381 0.085953 -0.023051 -0.152393 7C 1f-3 0.080269 0.304273 -0.096019 0.236748 -0.188799 -0.107654 8C 1s 0.003111 -0.002057 0.001482 -0.007595 -0.009609 -0.002361 8C 2s 0.003781 -0.002885 0.000518 -0.010957 -0.016336 0.002680 8C 3s 0.020299 -0.015519 -0.029238 0.004324 0.165644 -0.216608 8C 4s -0.018686 0.032617 0.377486 -0.026222 -0.617765 0.362938 8C 5s 1.384100 -0.553442 0.097532 -1.307377 -1.710790 -1.874517 8C 1pz 0.008215 -0.007471 -0.004427 -0.024835 -0.026313 0.020814 8C 1px 0.027008 -0.012772 0.019630 -0.031523 -0.050163 -0.024817 8C 1py -0.021463 0.010311 -0.006964 0.031934 0.092059 -0.025390 8C 2pz -0.851253 0.593934 0.351913 0.878719 1.184038 0.015317 8C 2px 0.199336 -0.028101 -1.738643 0.745021 1.055848 1.381780 8C 2py 0.209724 -0.070998 0.931167 -0.957011 -1.618028 -0.651705 8C 3pz -0.028371 -0.038578 -0.070689 -0.021814 -0.084368 0.213946 8C 3px -0.085837 -0.013143 0.241482 0.046375 0.082726 -0.110951 8C 3py 0.280127 -0.134360 -0.133391 -0.119513 -0.201726 -0.229769 8C 1dz2 -0.030355 0.012928 0.032492 0.012025 0.009264 -0.014470 8C 1dxz 0.079902 -0.023974 -0.198695 0.007223 -0.000851 0.165944 8C 1dyz 0.124805 -0.072808 -0.363762 0.105691 0.150589 0.263064 8C 1dx2y2 -0.083123 0.073880 -0.062917 0.170749 0.239953 0.093152 8C 1dxy -0.149759 0.087309 0.075783 0.102334 0.139356 -0.013337 8C 2dz2 -0.046627 0.003667 -0.031432 0.048880 0.233468 -0.001966 8C 2dxz 0.222900 -0.071673 -0.564869 0.019314 0.082212 0.387702 8C 2dyz 0.277680 -0.161353 -0.962229 0.394746 0.528566 0.554464 8C 2dx2y2 -0.329598 0.254121 0.093178 0.281190 0.516244 0.105409 8C 2dxy -0.304088 0.201301 0.046598 0.315932 0.487682 0.117162 8C 1f0 0.205675 -0.144374 -0.058665 -0.198314 -0.321337 -0.037484 8C 1f+1 0.220272 -0.119753 -0.322613 -0.037974 -0.092825 0.172448 8C 1f-1 -0.116898 0.082402 0.239022 -0.099471 -0.058627 -0.139568 8C 1f+2 -0.109374 0.062913 -0.119992 0.205497 0.212777 0.248069 8C 1f-2 -0.098657 0.065465 0.000060 0.151375 0.195531 0.086879 8C 1f+3 -0.028322 -0.007980 0.126482 -0.054797 -0.068542 -0.107157 8C 1f-3 -0.210765 0.085943 0.447423 -0.057011 -0.107154 -0.310714 9C 1s -0.000380 -0.002269 0.002606 -0.008427 0.010150 0.001182 9C 2s -0.000012 0.001087 0.004718 -0.011511 0.016405 -0.004546 9C 3s -0.006173 -0.129661 0.005130 0.083515 -0.066998 0.203659 9C 4s -0.026176 0.146305 -0.137428 -0.610507 0.150997 -0.245673 9C 5s -0.441095 -1.634616 0.619434 -1.623808 1.663234 1.479606 9C 1pz -0.003156 0.003772 0.020724 -0.057821 0.056055 -0.035709 9C 1px -0.004157 -0.020607 0.002618 -0.049881 0.024427 0.022897 9C 1py -0.008747 -0.005744 0.009817 -0.034682 0.054448 -0.011594 9C 2pz 0.032489 0.645775 -0.220433 1.762680 -1.379214 -0.401859 9C 2px -0.404788 -0.328386 1.002056 1.501490 0.004168 -1.390107 9C 2py 0.130275 0.545993 -0.166543 1.572476 -1.287660 -0.686836 9C 3pz 0.134971 0.242053 -0.117076 0.087763 -0.117950 -0.202213 9C 3px 0.024225 0.043045 -0.221974 -0.042146 -0.214370 0.207638 9C 3py 0.027111 0.105268 -0.029613 -0.028990 -0.043846 -0.054330 9C 1dz2 0.022612 -0.024287 -0.021795 -0.236281 0.143338 0.135283 9C 1dxz -0.107851 -0.178562 0.212256 0.056780 0.172842 -0.180938 9C 1dyz 0.051801 -0.038054 -0.094565 -0.346440 0.142635 0.237414 9C 1dx2y2 0.021428 0.052914 -0.086407 -0.016481 -0.085488 0.106453 9C 1dxy -0.018645 -0.054639 0.034065 0.059026 0.003407 -0.076425 9C 2dz2 -0.007498 -0.145271 0.063077 -0.535145 0.304517 0.189340 9C 2dxz -0.231349 -0.409488 0.542775 0.103603 0.357394 -0.313484 9C 2dyz 0.107762 -0.059106 -0.251538 -1.029589 0.534463 0.561727 9C 2dx2y2 0.122264 0.219509 -0.279966 -0.307689 -0.146195 0.343881 9C 2dxy 0.017441 -0.050630 0.016555 -0.073154 0.101380 -0.089645 9C 1f0 -0.067709 -0.148867 0.131972 0.138595 0.111538 -0.178132 9C 1f+1 -0.016610 0.001747 0.059213 -0.000742 0.078808 -0.056338 9C 1f-1 0.013279 -0.005744 -0.070515 -0.019343 -0.059080 0.138873 9C 1f+2 0.098093 0.246298 -0.230887 0.089911 -0.257233 0.054685 9C 1f-2 0.096248 0.035661 -0.173407 -0.383014 0.123794 0.327287 9C 1f+3 0.046094 0.209684 -0.112663 0.320914 -0.312998 -0.134985 9C 1f-3 -0.107932 -0.117423 0.246176 0.226829 0.049893 -0.287975 10H 1s -0.202096 -0.379474 -0.352777 0.010695 -0.368363 -0.195197 10H 2s -0.379716 -0.538735 -0.825044 -0.424606 -0.632117 -0.771612 10H 3s 0.068192 0.221534 0.264767 -0.206170 0.445006 0.057737 10H 1pz -0.083607 -0.131907 -0.182868 -0.069389 -0.169874 -0.165651 10H 1px 0.172220 0.284682 0.347561 0.029400 0.363783 0.260041 10H 1py -0.032172 -0.040164 -0.069540 -0.030953 -0.055860 -0.047222 11H 1s 0.109593 0.015731 0.192250 0.377830 -0.082891 0.313751 11H 2s 0.377835 0.283356 0.545592 0.754015 -0.050199 0.636253 11H 3s -0.069716 0.110174 -0.138331 -0.394476 0.124436 -0.352359 11H 1pz 0.080699 0.017035 0.102902 0.223621 -0.053904 0.175474 11H 1px 0.128252 0.079256 0.203077 0.329686 -0.030845 0.289280 11H 1py -0.068694 -0.031273 -0.112016 -0.152209 0.017611 -0.142797 12H 1s 0.035118 -0.072864 0.062422 0.501771 -0.228617 0.373780 12H 2s 0.110108 -0.011357 0.202353 1.073353 -0.489423 0.849095 12H 3s 0.060469 0.209249 -0.017212 -0.511078 0.292166 -0.420987 12H 1pz -0.013660 0.001973 -0.021090 -0.136759 0.049119 -0.090223 12H 1px 0.058515 0.029703 0.105751 0.308690 -0.100709 0.247365 12H 1py 0.022224 -0.075741 0.045469 0.483791 -0.262899 0.370712 13H 1s 0.398735 -0.186477 0.363618 0.181034 0.227305 0.107914 13H 2s 0.696263 -0.331829 1.086288 0.198347 0.227151 0.628616 13H 3s -0.240958 0.091642 -0.170668 -0.259007 -0.361949 0.016175 13H 1pz 0.245145 -0.127828 0.306272 0.117117 0.139871 0.148071 13H 1px -0.270422 0.122402 -0.303716 -0.131263 -0.174870 -0.155109 13H 1py -0.072287 0.031671 -0.148112 -0.029328 -0.019575 -0.092235 14H 1s 0.034137 -0.082548 -0.335272 0.286791 0.375271 -0.381002 14H 2s 0.031881 -0.199713 -0.801417 0.645320 0.771800 -0.850596 14H 3s -0.164690 0.157685 0.291432 -0.332527 -0.401101 0.429487 14H 1pz 0.093132 -0.084779 -0.108097 0.175863 0.201838 -0.190332 14H 1px -0.011819 -0.068654 -0.415967 0.311038 0.376530 -0.417376 14H 1py 0.015505 -0.021950 -0.041421 0.047660 0.079030 -0.043502 15H 1s -0.200693 0.106553 -0.390282 0.115306 0.117551 -0.283605 15H 2s -0.649212 0.381450 -0.923707 0.134466 0.126878 -0.538846 15H 3s 0.059762 -0.070248 0.330661 -0.141316 -0.154138 0.352518 15H 1pz 0.213420 -0.116779 0.329764 -0.059344 -0.039504 0.214222 15H 1px -0.083703 0.035507 -0.167374 0.038093 0.053560 -0.118476 15H 1py 0.169713 -0.103282 0.289835 -0.070679 -0.085186 0.212345 16H 1s 0.005012 -0.031110 0.012417 -0.005410 0.004808 0.013122 16H 2s -0.047003 -0.099802 -0.066742 -0.062172 -0.022022 -0.042444 16H 3s -0.018420 -0.047349 -0.038327 0.011628 -0.010454 -0.008670 16H 1pz -0.017585 -0.069764 -0.018479 -0.010849 -0.007065 -0.004484 16H 1px 0.016299 0.028444 0.010393 0.005102 0.010017 0.002568 16H 1py -0.007937 -0.018955 0.001299 -0.008787 -0.009059 0.011407 17H 1s -0.018234 0.031591 -0.002564 0.011704 -0.018417 0.001117 17H 2s -0.054862 -0.035979 0.007588 0.029452 0.023843 -0.042987 17H 3s -0.037350 0.041039 0.021753 0.014617 0.014852 0.008148 17H 1pz 0.017516 -0.007722 -0.001700 -0.000507 0.004345 0.008492 17H 1px 0.047112 -0.020060 -0.004779 -0.013934 0.003750 0.002563 17H 1py -0.018069 0.007932 0.005678 0.016778 -0.009952 0.002920 18H 1s -0.017787 0.032255 0.003187 -0.012634 0.017577 0.001005 18H 2s -0.049914 -0.045776 0.001448 -0.032363 -0.024369 -0.042479 18H 3s -0.038720 0.041777 -0.017808 -0.016089 -0.014722 0.007877 18H 1pz -0.017555 0.006807 0.000117 -0.001858 0.004062 -0.008728 18H 1px -0.045813 0.018024 0.000548 -0.016071 0.003298 -0.003108 18H 1py 0.016920 -0.006588 0.003778 0.016997 -0.009269 -0.002931 19H 1s 0.002612 -0.030352 -0.012591 0.007071 -0.004459 0.012969 19H 2s -0.034878 -0.103082 0.077116 0.062148 0.018932 -0.046102 19H 3s -0.015877 -0.046459 0.041517 -0.009573 0.009872 -0.009738 19H 1pz 0.014500 0.069899 -0.022354 -0.012558 -0.005915 0.006096 19H 1px -0.015463 -0.028889 0.013338 0.005952 0.009605 -0.003356 19H 1py 0.008797 0.020609 -0.000801 -0.009723 -0.009423 -0.010561 20H 1s -0.147225 0.102784 0.404877 -0.125522 -0.134027 -0.293558 20H 2s -0.526894 0.378288 0.979529 -0.164978 -0.166566 -0.565011 20H 3s 0.012523 -0.065741 -0.329397 0.149083 0.170587 0.361001 20H 1pz -0.169694 0.114916 0.346970 -0.069335 -0.053750 -0.224399 20H 1px 0.064508 -0.036362 -0.176735 0.041698 0.060189 0.123703 20H 1py -0.129187 0.100908 0.301688 -0.079409 -0.098442 -0.219220 21H 1s 0.076940 -0.088284 0.321765 -0.280842 -0.383046 -0.375899 21H 2s 0.126627 -0.211013 0.775594 -0.629546 -0.789920 -0.837960 21H 3s -0.203544 0.165542 -0.264220 0.322433 0.409039 0.422385 21H 1pz -0.106658 0.089203 -0.095872 0.171471 0.206364 0.187488 21H 1px -0.038812 0.074054 -0.405154 0.304474 0.384805 0.411549 21H 1py -0.020622 0.022674 -0.040073 0.046373 0.079814 0.042705 22H 1s 0.363648 -0.194995 -0.401544 -0.169721 -0.217735 0.126449 22H 2s 0.577992 -0.344619 -1.141402 -0.174905 -0.195144 0.669239 22H 3s -0.230921 0.101379 0.196924 0.252697 0.359490 -0.005454 22H 1pz -0.211631 0.132418 0.325135 0.107688 0.129840 -0.161696 22H 1px 0.241944 -0.129424 -0.329006 -0.123984 -0.166942 0.172399 22H 1py 0.058388 -0.034688 -0.154847 -0.027922 -0.016805 0.098030 23H 1s 0.025256 -0.095181 -0.065194 -0.489784 0.236489 0.366791 23H 2s 0.082786 -0.051935 -0.215995 -1.050896 0.506386 0.830591 23H 3s 0.064304 0.230394 0.005983 0.493888 -0.298764 -0.413592 23H 1pz 0.011159 -0.007811 -0.024272 -0.136532 0.050959 0.091691 23H 1px -0.045261 -0.015640 0.109704 0.298509 -0.104474 -0.238929 23H 1py -0.014895 0.093890 0.049050 0.473730 -0.270266 -0.364411 24H 1s 0.087632 -0.011357 -0.193201 -0.382308 0.101504 0.313707 24H 2s 0.318421 0.224222 -0.564325 -0.778487 0.095083 0.640252 24H 3s -0.053760 0.137954 0.133931 0.393235 -0.143627 -0.351590 24H 1pz -0.068700 -0.000088 0.103753 0.225892 -0.065318 -0.174300 24H 1px -0.107034 -0.056225 0.211167 0.340001 -0.049111 -0.292896 24H 1py 0.054623 0.017530 -0.110184 -0.152458 0.027416 0.139378 25H 1s -0.165803 -0.372919 0.375056 0.004499 0.354722 -0.203674 25H 2s -0.293563 -0.498362 0.856627 0.443680 0.588224 -0.785963 25H 3s 0.044705 0.225366 -0.272024 0.195424 -0.438817 0.068683 25H 1pz 0.065493 0.126302 -0.193259 -0.073430 -0.162453 0.170649 25H 1px -0.136453 -0.274606 0.363297 0.040215 0.347383 -0.268030 25H 1py 0.023699 0.033437 -0.067444 -0.032469 -0.048047 0.045753 26O 1s -0.007940 -0.019048 -0.005987 0.010545 -0.014919 -0.001976 26O 2s -0.033144 -0.081796 -0.024381 0.046763 -0.060949 -0.002025 26O 3s 0.404752 1.059861 0.295226 -0.661079 0.763032 -0.091951 26O 4s -1.158377 -3.212758 -0.869007 1.885768 -2.077423 0.507980 26O 5s -0.894248 -1.868148 -0.972633 1.240324 -1.601819 -0.002311 26O 1pz -0.003201 -0.020352 -0.029878 0.055482 -0.044409 0.014311 26O 1px -0.145230 -0.333253 -0.143133 0.159575 -0.223669 -0.005026 26O 1py -0.049811 -0.130659 -0.061601 0.086998 -0.123804 0.012476 26O 2pz -0.008700 0.076649 0.067905 -0.305655 0.181437 -0.130172 26O 2px 0.805235 2.066516 0.729744 -1.184003 1.353185 -0.289897 26O 2py 0.285021 0.798445 0.278479 -0.595953 0.672775 -0.208617 26O 3pz 0.066798 0.186842 -0.066042 -0.008535 0.114629 -0.064803 26O 3px 0.401952 0.970130 0.325514 -0.499023 0.747662 -0.088320 26O 3py 0.076093 0.534217 0.168022 -0.306870 0.224313 0.003037 26O 1dz2 0.011966 -0.008221 -0.002553 0.032924 -0.005631 0.005105 26O 1dxz -0.013353 -0.021435 -0.020603 -0.028629 0.001618 -0.025850 26O 1dyz -0.004580 0.019031 -0.002913 -0.000587 -0.021356 -0.010579 26O 1dx2y2 0.017851 0.031901 0.006300 -0.012666 0.013618 -0.013304 26O 1dxy 0.002242 0.016210 -0.013972 -0.022438 0.009375 -0.033344 26O 2dz2 0.140449 0.361529 0.105430 -0.202124 0.238312 -0.075340 26O 2dxz 0.004845 -0.015848 0.013538 0.162859 -0.075549 0.097060 26O 2dyz -0.001682 0.022898 0.011998 0.095230 -0.070428 0.033351 26O 2dx2y2 -0.187490 -0.458442 -0.155188 0.248771 -0.293929 0.055126 26O 2dxy -0.129565 -0.402753 -0.121181 0.349402 -0.331831 0.106452 26O 1f0 -0.009614 -0.021592 -0.002875 -0.033239 -0.003451 -0.013357 26O 1f+1 0.011651 0.047487 0.003399 -0.019634 0.019878 -0.015069 26O 1f-1 -0.023953 -0.018585 -0.032446 -0.042884 0.003287 -0.031127 26O 1f+2 0.018906 0.023704 0.024617 0.055867 -0.014750 0.053718 26O 1f-2 0.011015 0.018929 0.005483 -0.002842 -0.011910 -0.011220 26O 1f+3 0.027228 0.046561 0.019414 -0.006701 0.015259 0.007086 26O 1f-3 0.023681 0.041894 0.015027 -0.034524 0.036313 -0.001916 27O 1s 0.021188 -0.008342 0.001852 0.009939 0.013985 -0.003321 27O 2s 0.088548 -0.034265 0.004026 0.042566 0.058197 -0.020393 27O 3s -1.099132 0.412493 0.026060 -0.570369 -0.748657 0.378107 27O 4s 3.239273 -1.172061 -0.110493 1.646699 2.044585 -1.364821 27O 5s 1.739067 -0.528733 0.118292 1.153543 1.406368 -0.477566 27O 1pz -0.029691 0.016382 -0.024978 0.014713 0.001727 -0.013301 27O 1px 0.366614 -0.136896 0.046633 0.181458 0.236129 -0.094018 27O 1py -0.073264 0.030336 -0.003326 -0.055372 -0.097207 0.030940 27O 2pz 0.211124 -0.085895 0.127499 -0.026818 0.032446 0.032134 27O 2px -2.153872 0.759969 -0.010565 -1.180212 -1.436788 0.904944 27O 2py 0.358431 -0.124005 -0.098615 0.307105 0.478679 -0.264974 27O 3pz -0.065949 -0.057924 0.019041 0.093057 -0.094873 0.060933 27O 3px -1.028894 0.294934 0.019034 -0.542235 -0.657752 0.417701 27O 3py 0.291706 -0.153416 -0.065392 0.209765 0.066798 -0.136387 27O 1dz2 0.013074 -0.018619 -0.011008 0.020865 -0.004399 -0.018198 27O 1dxz 0.022094 -0.011940 0.018902 0.000027 0.002048 0.003213 27O 1dyz 0.024213 -0.002119 0.009310 -0.014468 -0.013638 -0.010806 27O 1dx2y2 -0.021647 -0.001188 0.015273 -0.014032 -0.026453 0.026279 27O 1dxy -0.010815 0.004018 -0.039849 0.006287 0.016373 -0.038225 27O 2dz2 -0.337251 0.105175 0.042516 -0.204729 -0.284424 0.173130 27O 2dxz -0.127067 0.056380 -0.079282 -0.018462 -0.016479 -0.024202 27O 2dyz 0.039460 -0.010721 0.020420 -0.009829 -0.019158 -0.019134 27O 2dx2y2 0.567242 -0.198397 -0.018302 0.317548 0.364447 -0.250040 27O 2dxy -0.158875 0.066981 0.111476 -0.181579 -0.250714 0.157526 27O 1f0 0.011996 -0.008558 -0.008653 0.002722 0.012783 -0.004875 27O 1f+1 -0.048858 0.031950 -0.002287 -0.027386 -0.044798 0.018595 27O 1f-1 -0.012743 0.004982 -0.031639 0.030059 0.009281 -0.015585 27O 1f+2 -0.064002 0.027073 -0.059626 0.004191 0.004642 -0.020728 27O 1f-2 -0.010934 -0.002270 -0.034034 0.016484 0.016180 -0.040191 27O 1f+3 -0.043322 0.004083 0.013305 -0.017875 -0.008596 0.020769 27O 1f-3 -0.008449 0.003818 -0.038479 0.024169 0.044168 -0.026291 28O 1s 0.007935 0.019004 0.001500 0.006777 -0.007121 -0.006843 28O 2s 0.034188 0.083079 0.008783 0.027150 -0.028472 -0.029510 28O 3s -0.464036 -1.107455 -0.182607 -0.392043 0.360921 0.341430 28O 4s 1.534210 3.492220 0.813386 1.254968 -0.953087 -0.807519 28O 5s 0.711161 2.125250 0.732798 0.924355 -0.451567 -0.622293 28O 1pz 0.082498 0.216691 0.046937 0.089133 -0.078646 -0.098160 28O 1px -0.108066 -0.294047 -0.061901 -0.063540 0.064504 0.091036 28O 1py 0.001719 0.026686 0.010521 0.001032 -0.032287 -0.032782 28O 2pz -0.567173 -1.419058 -0.377202 -0.618294 0.472086 0.475563 28O 2px 0.792807 1.916975 0.552825 0.661055 -0.442395 -0.385681 28O 2py -0.032800 -0.151910 -0.040203 -0.013134 0.158935 0.177306 28O 3pz -0.400699 -0.653680 0.005408 -0.241342 0.460772 0.132184 28O 3px 0.317084 0.859900 0.220541 0.417772 -0.173510 -0.172127 28O 3py 0.005216 -0.069085 0.175154 -0.113985 0.085307 -0.070379 28O 1dz2 -0.005159 0.012398 0.010695 0.015151 0.013463 0.018079 28O 1dxz 0.001882 0.022755 -0.000319 0.019041 -0.011781 -0.005002 28O 1dyz -0.003410 -0.022532 0.002544 0.027116 -0.015696 0.014646 28O 1dx2y2 -0.026220 -0.034267 -0.020820 -0.002817 0.008173 0.005379 28O 1dxy -0.007361 -0.021529 -0.006688 0.007210 -0.023789 -0.007258 28O 2dz2 -0.036524 -0.013693 -0.056704 -0.002131 -0.063698 -0.130995 28O 2dxz -0.253589 -0.608636 -0.140393 -0.229002 0.215987 0.209854 28O 2dyz -0.030877 0.007667 -0.035140 -0.004302 -0.068068 -0.105862 28O 2dx2y2 0.177762 0.428070 0.129892 0.194016 -0.093400 -0.023474 28O 2dxy 0.006764 -0.057099 0.022132 0.034524 0.038996 0.089192 28O 1f0 -0.017444 -0.059434 -0.022999 -0.006736 -0.023330 -0.008314 28O 1f+1 0.024198 0.030178 0.045035 0.002937 0.038234 0.049081 28O 1f-1 -0.007269 0.002734 -0.009309 -0.014980 -0.012265 -0.021396 28O 1f+2 0.020600 0.058040 0.009908 -0.011115 -0.020078 -0.036996 28O 1f-2 0.020638 0.028525 0.032837 0.018587 0.030419 0.039488 28O 1f+3 0.024531 0.050171 0.004690 0.009931 0.009588 -0.002539 28O 1f-3 0.009304 0.015848 0.005948 0.010398 0.009875 0.013247 29O 1s 0.000356 -0.000726 0.000286 -0.001433 -0.000153 -0.000800 29O 2s 0.002018 -0.002017 0.001017 -0.005038 -0.000265 -0.002840 29O 3s -0.034772 0.006756 -0.010447 0.047069 -0.002567 0.027164 29O 4s 0.092664 -0.006229 0.019471 -0.105815 0.005991 -0.076356 29O 5s 0.022130 0.138313 0.017038 0.111613 0.057950 0.162622 29O 1pz -0.010125 0.035968 -0.007247 0.004780 -0.003785 -0.001978 29O 1px 0.003248 0.008091 0.004570 -0.008699 -0.003679 0.001851 29O 1py 0.030142 0.009280 0.000791 0.001647 0.012273 -0.001075 29O 2pz 0.030772 -0.141366 0.000401 -0.027642 0.005676 0.005700 29O 2px 0.012987 -0.020954 -0.012939 0.020695 0.012117 0.003021 29O 2py -0.096145 -0.036495 -0.002383 0.001682 -0.038998 0.005199 29O 3pz -0.022593 0.017672 -0.059070 -0.029574 -0.028229 -0.000775 29O 3px 0.027136 -0.011109 0.001727 -0.065407 -0.037874 -0.027058 29O 3py 0.017647 -0.026418 -0.021851 -0.015814 0.022709 -0.055077 29O 1dz2 0.001828 -0.003172 -0.000879 -0.004210 -0.000807 -0.003222 29O 1dxz 0.000974 0.006798 -0.000016 0.005748 0.001766 0.002413 29O 1dyz -0.002372 -0.001980 -0.003197 0.006427 0.000360 -0.005205 29O 1dx2y2 -0.001966 0.002319 -0.002134 0.004605 0.001704 -0.001621 29O 1dxy 0.005194 0.000728 0.005150 0.005886 -0.006603 0.008333 29O 2dz2 0.011780 0.027947 0.002116 0.005929 0.004269 -0.008455 29O 2dxz 0.018828 0.003464 -0.000896 -0.005992 0.010096 0.003504 29O 2dyz -0.017158 0.044857 0.007194 0.020812 -0.002250 -0.004522 29O 2dx2y2 -0.005445 -0.005307 -0.002099 -0.001289 0.001835 -0.000459 29O 2dxy -0.005277 0.012131 0.006825 0.011147 -0.004731 0.001699 29O 1f0 0.001512 -0.001466 0.000220 -0.000160 0.004104 -0.003500 29O 1f+1 -0.000534 0.004924 0.005870 -0.001993 -0.001453 0.000062 29O 1f-1 0.005468 0.010891 -0.000462 0.001055 -0.001016 -0.000017 29O 1f+2 0.005446 -0.006298 -0.002815 0.009457 0.000401 0.003839 29O 1f-2 0.003939 -0.006914 -0.003837 -0.004870 0.009091 -0.006334 29O 1f+3 -0.002380 0.003618 -0.000058 -0.000967 0.001347 -0.002204 29O 1f-3 -0.010536 0.002347 -0.009870 -0.003735 0.010249 -0.013092 30O 1s -0.014726 0.004431 -0.004182 0.004819 0.011335 0.008326 30O 2s -0.066747 0.020902 -0.019383 0.017928 0.044169 0.037400 30O 3s 0.943853 -0.310848 0.339792 -0.212320 -0.540556 -0.473665 30O 4s -3.124906 1.066275 -1.306634 0.519957 1.460022 1.299702 30O 5s -2.002728 0.848113 -1.343299 0.202849 0.807314 1.023330 30O 1pz -0.145425 0.050000 -0.053374 0.026377 0.056212 0.109040 30O 1px 0.232586 -0.080423 0.084622 -0.025255 -0.092359 -0.109319 30O 1py 0.137259 -0.046887 0.075348 -0.029847 -0.107011 -0.099722 30O 2pz 1.015249 -0.374632 0.466418 -0.165201 -0.404603 -0.574820 30O 2px -1.634061 0.582682 -0.798394 0.199328 0.643204 0.587243 30O 2py -0.997445 0.354319 -0.530607 0.168848 0.605673 0.569693 30O 3pz 0.441985 -0.054392 0.131212 -0.072820 -0.448733 -0.135295 30O 3px -0.758380 0.336929 -0.514547 0.104330 0.274871 0.323130 30O 3py -0.418443 0.223920 -0.083476 0.229552 0.308398 0.076194 30O 1dz2 -0.018364 0.016618 -0.004521 -0.002700 -0.010431 0.005156 30O 1dxz -0.021285 0.016566 -0.013463 0.014546 0.003703 0.002248 30O 1dyz -0.032418 0.003563 0.016944 -0.016107 -0.010860 0.026282 30O 1dx2y2 0.032836 -0.003172 0.024182 0.007850 -0.006943 0.002295 30O 1dxy 0.004067 0.002479 0.008175 -0.009121 -0.028206 -0.007925 30O 2dz2 0.119296 -0.045710 0.103525 -0.033415 -0.090619 0.014277 30O 2dxz 0.416075 -0.133936 0.182315 -0.057402 -0.184285 -0.205238 30O 2dyz 0.195379 -0.071839 0.060591 -0.071140 -0.158215 -0.221742 30O 2dx2y2 -0.260657 0.105560 -0.191858 0.026292 0.047220 -0.045701 30O 2dxy -0.409962 0.159499 -0.181087 0.070549 0.208405 0.201639 30O 1f0 0.013249 -0.004886 -0.017675 -0.004787 -0.023251 -0.031021 30O 1f+1 -0.007649 0.001573 -0.012658 -0.002441 0.015766 -0.013031 30O 1f-1 -0.012788 0.011033 -0.015390 0.006954 -0.008083 -0.012256 30O 1f+2 -0.050612 0.024608 -0.032212 -0.012616 -0.000583 0.000311 30O 1f-2 -0.005074 0.002225 0.033547 0.010905 0.013973 0.055810 30O 1f+3 -0.067239 0.022514 -0.042942 -0.008211 -0.032466 -0.019908 30O 1f-3 -0.062152 0.017455 -0.027460 -0.006871 0.002627 0.008861 31O 1s -0.013943 0.004361 0.005808 -0.005003 -0.011281 0.009180 31O 2s -0.063259 0.020716 0.026796 -0.018872 -0.043990 0.040830 31O 3s 0.888161 -0.309787 -0.444026 0.227811 0.541068 -0.514587 31O 4s -2.927084 1.069627 1.648791 -0.576717 -1.473870 1.405154 31O 5s -1.825699 0.860547 1.560118 -0.248993 -0.799930 1.080579 31O 1pz 0.137229 -0.050642 -0.070410 0.028817 0.055189 -0.115697 31O 1px -0.219936 0.081318 0.110098 -0.029300 -0.092132 0.117432 31O 1py -0.125767 0.047767 0.090226 -0.031494 -0.105815 0.108736 31O 2pz -0.946804 0.377349 0.580964 -0.185262 -0.405098 0.611234 31O 2px 1.521043 -0.588063 -0.974465 0.230907 0.651000 -0.632349 31O 2py 0.917612 -0.358173 -0.639276 0.186051 0.604814 -0.616092 31O 3pz -0.420001 0.058632 0.178443 -0.074568 -0.450434 0.159146 31O 3px 0.691365 -0.340885 -0.595799 0.123105 0.275703 -0.339911 31O 3py 0.402482 -0.220040 -0.124938 0.238735 0.312509 -0.097556 31O 1dz2 -0.018086 0.016731 0.006402 0.001983 0.010378 0.004730 31O 1dxz -0.019316 0.016077 0.015578 -0.015510 -0.004144 0.002726 31O 1dyz -0.034231 0.004058 -0.012618 0.015570 0.010853 0.026308 31O 1dx2y2 0.030125 -0.003819 -0.027613 -0.007623 0.007366 0.002633 31O 1dxy 0.002221 0.002714 -0.008682 0.009076 0.028253 -0.009299 31O 2dz2 0.105033 -0.045850 -0.114423 0.035854 0.092231 0.010657 31O 2dxz 0.389211 -0.135209 -0.228572 0.064485 0.185093 -0.219211 31O 2dyz 0.182730 -0.070727 -0.084000 0.074552 0.154944 -0.236975 31O 2dx2y2 -0.237172 0.106649 0.217238 -0.032302 -0.052751 -0.046507 31O 2dxy -0.382142 0.160068 0.225139 -0.078405 -0.208879 0.217990 31O 1f0 -0.015205 0.005110 -0.015684 -0.004707 -0.022062 0.033674 31O 1f+1 0.006125 -0.001896 -0.013028 -0.002552 0.015944 0.012805 31O 1f-1 0.011276 -0.010920 -0.016804 0.007442 -0.007604 0.013482 31O 1f+2 0.047199 -0.025454 -0.037560 -0.011385 0.000037 0.000696 31O 1f-2 0.007796 -0.001506 0.032146 0.010803 0.012692 -0.059016 31O 1f+3 0.062924 -0.022990 -0.049892 -0.006544 -0.030711 0.022746 31O 1f-3 0.058712 -0.018041 -0.033943 -0.005693 0.003251 -0.008862 32O 1s 0.000357 -0.000730 -0.000285 0.001452 0.000165 -0.000727 32O 2s 0.002001 -0.002010 -0.001124 0.005098 0.000321 -0.002571 32O 3s -0.034021 0.006102 0.013751 -0.047493 0.001764 0.024187 32O 4s 0.091792 -0.004932 -0.028943 0.106021 -0.004484 -0.069046 32O 5s 0.009353 0.147917 -0.026382 -0.110616 -0.054567 0.157834 32O 1pz 0.009298 -0.035902 -0.007703 0.006323 -0.003639 0.002183 32O 1px -0.002740 -0.008103 0.005323 -0.008589 -0.003698 -0.002205 32O 1py -0.029790 -0.009621 0.004124 0.001893 0.011577 0.000513 32O 2pz -0.030946 0.140494 0.000939 -0.033522 0.005628 -0.005547 32O 2px -0.013290 0.019180 -0.011999 0.019629 0.011743 -0.002407 32O 2py 0.093865 0.040133 -0.014256 0.000762 -0.036938 -0.003008 32O 3pz 0.016916 -0.021218 -0.061705 -0.028498 -0.027036 0.003732 32O 3px -0.027944 0.009999 0.005106 -0.065121 -0.037165 0.024970 32O 3py -0.023406 0.030701 -0.023115 -0.015451 0.022510 0.054920 32O 1dz2 0.001751 -0.002733 0.000788 0.004616 0.000821 -0.003246 32O 1dxz 0.000970 0.006545 -0.000242 -0.005823 -0.001520 0.002573 32O 1dyz -0.001958 -0.002405 0.003313 -0.006473 -0.000405 -0.004949 32O 1dx2y2 -0.001740 0.002262 0.002300 -0.004450 -0.001666 -0.001591 32O 1dxy 0.004360 0.000599 -0.005649 -0.005755 0.006925 0.008346 32O 2dz2 0.012005 0.026649 -0.003997 -0.005803 -0.004206 -0.007622 32O 2dxz 0.018577 0.003272 -0.001135 0.006586 -0.009472 0.003968 32O 2dyz -0.016892 0.044800 -0.006682 -0.023020 0.001997 -0.004091 32O 2dx2y2 -0.004773 -0.006463 0.003060 0.002126 -0.001877 -0.000611 32O 2dxy -0.005002 0.010646 -0.006425 -0.011448 0.004459 0.001883 32O 1f0 -0.001277 0.002039 0.000504 -0.000277 0.004319 0.003113 32O 1f+1 0.001501 -0.005163 0.005758 -0.001612 -0.001811 -0.000066 32O 1f-1 -0.005883 -0.010300 0.000251 0.001769 -0.000943 0.000174 32O 1f+2 -0.005343 0.007247 -0.002533 0.009132 0.000260 -0.003598 32O 1f-2 -0.004483 0.006788 -0.003247 -0.004861 0.009056 0.005965 32O 1f+3 0.001528 -0.002844 -0.000145 -0.000455 0.001825 0.002203 32O 1f-3 0.009406 -0.003297 -0.010581 -0.003627 0.010956 0.012836 33O 1s 0.007626 0.018732 -0.002826 -0.007446 0.007002 -0.007084 33O 2s 0.032639 0.081920 -0.014407 -0.030226 0.027995 -0.030431 33O 3s -0.436738 -1.088396 0.255751 0.435432 -0.357468 0.352035 33O 4s 1.424668 3.423627 -1.044503 -1.397330 0.956367 -0.832591 33O 5s 0.626328 2.072502 -0.837906 -1.018886 0.441032 -0.639910 33O 1pz -0.076342 -0.212704 0.060323 0.096843 -0.076258 0.100414 33O 1px 0.100063 0.291141 -0.079230 -0.075501 0.063340 -0.093213 33O 1py -0.000519 -0.026695 0.011578 0.003124 -0.031522 0.033404 33O 2pz 0.518621 1.385308 -0.463013 -0.675064 0.465520 -0.487080 33O 2px -0.723617 -1.880043 0.670485 0.741909 -0.445635 0.397866 33O 2py 0.027890 0.152080 -0.048250 -0.024584 0.155465 -0.180840 33O 3pz 0.392320 0.643884 -0.053182 -0.264033 0.461862 -0.149266 33O 3px -0.290048 -0.837496 0.267372 0.454631 -0.173473 0.179843 33O 3py 0.015271 0.071878 0.171386 -0.113075 0.086203 0.068902 33O 1dz2 -0.005970 0.011641 -0.009980 -0.015444 -0.012943 0.018467 33O 1dxz 0.001942 0.021826 -0.000041 -0.020370 0.011745 -0.004921 33O 1dyz -0.003736 -0.023755 -0.001753 -0.025752 0.015882 0.014095 33O 1dx2y2 -0.023415 -0.033723 0.024222 0.004218 -0.008585 0.005792 33O 1dxy -0.006999 -0.021985 0.007951 -0.006440 0.023592 -0.008031 33O 2dz2 -0.030785 -0.012534 0.059419 0.003255 0.056945 -0.132194 33O 2dxz -0.234206 -0.596149 0.178435 0.253856 -0.213245 0.215909 33O 2dyz -0.027151 0.008974 0.037280 0.001835 0.064399 -0.107701 33O 2dx2y2 0.161965 0.417766 -0.155616 -0.211527 0.096034 -0.025851 33O 2dxy 0.003982 -0.060291 -0.020563 -0.029767 -0.036517 0.089758 33O 1f0 0.014778 0.058217 -0.024905 -0.009112 -0.021855 0.008422 33O 1f+1 -0.019402 -0.028774 0.047124 0.004563 0.035325 -0.050031 33O 1f-1 0.006520 -0.003703 -0.009971 -0.014695 -0.011530 0.022040 33O 1f+2 -0.018952 -0.058385 0.013170 -0.008425 -0.019286 0.037572 33O 1f-2 -0.017303 -0.027507 0.035356 0.019253 0.029100 -0.040343 33O 1f+3 -0.024239 -0.050531 0.009089 0.011568 0.009851 0.002077 33O 1f-3 -0.008725 -0.015156 0.007198 0.010487 0.009456 -0.013409 34O 1s 0.021252 -0.008712 -0.004233 -0.009397 -0.013805 -0.002448 34O 2s 0.089241 -0.035865 -0.014148 -0.040370 -0.057637 -0.016975 34O 3s -1.117387 0.434147 0.102948 0.544362 0.745703 0.338152 34O 4s 3.293760 -1.236853 -0.274724 -1.573323 -2.044595 -1.261315 34O 5s 1.764388 -0.577975 -0.325747 -1.126056 -1.392133 -0.400868 34O 1pz 0.026830 -0.015939 -0.027435 0.015560 0.002436 0.013329 34O 1px -0.366678 0.144419 0.089312 0.173185 0.233983 0.080281 34O 1py 0.074955 -0.032240 -0.012219 -0.053389 -0.097245 -0.026038 34O 2pz -0.197805 0.086100 0.147834 -0.031271 0.029180 -0.034364 34O 2px 2.185258 -0.808144 -0.269211 -1.134353 -1.435722 -0.831878 34O 2py -0.379736 0.134224 -0.051949 0.299034 0.482005 0.243662 34O 3pz 0.067341 0.063797 0.009037 0.092792 -0.095982 -0.055167 34O 3px 1.046707 -0.316747 -0.105882 -0.523353 -0.655898 -0.376898 34O 3py -0.301538 0.161308 -0.030036 0.198802 0.068998 0.125962 34O 1dz2 0.014292 -0.019511 0.009433 -0.019862 0.003901 -0.018806 34O 1dxz 0.020028 -0.012119 -0.021017 0.000605 -0.001637 0.003695 34O 1dyz 0.022642 -0.001777 -0.012040 0.014622 0.013697 -0.011718 34O 1dx2y2 -0.023988 -0.000706 -0.012151 0.014108 0.027032 0.025528 34O 1dxy -0.006130 0.004183 0.040012 -0.006519 -0.017582 -0.038655 34O 2dz2 -0.348140 0.112800 -0.000677 0.198137 0.284841 0.159622 34O 2dxz -0.119337 0.058283 0.091797 0.015574 0.014740 -0.026565 34O 2dyz 0.036725 -0.010825 -0.024763 0.010533 0.018796 -0.020024 34O 2dx2y2 0.578004 -0.211594 -0.050513 -0.305486 -0.364980 -0.231231 34O 2dxy -0.176493 0.072534 -0.089700 0.177277 0.252664 0.147994 34O 1f0 -0.013034 0.008402 -0.007274 0.002151 0.012867 0.004387 34O 1f+1 0.049117 -0.032705 -0.008058 -0.025318 -0.044290 -0.015857 34O 1f-1 0.008729 -0.003976 -0.031655 0.029964 0.009855 0.014972 34O 1f+2 0.057055 -0.027543 -0.065653 0.005762 0.006410 0.021756 34O 1f-2 0.006702 0.002683 -0.034516 0.016645 0.017697 0.041482 34O 1f+3 0.045429 -0.005062 0.007991 -0.017874 -0.009237 -0.020705 34O 1f-3 0.003347 -0.003522 -0.038471 0.024160 0.044787 0.024613 35O 1s -0.007342 -0.019381 0.007094 -0.009670 0.014654 -0.002361 35O 2s -0.030709 -0.083372 0.029161 -0.042987 0.060067 -0.003644 35O 3s 0.375545 1.084115 -0.356882 0.611778 -0.756422 -0.071018 35O 4s -1.071323 -3.282886 1.052362 -1.736574 2.067336 0.449175 35O 5s -0.796640 -1.913041 1.107712 -1.159810 1.580278 -0.051032 35O 1pz -0.000049 0.022016 -0.029848 0.053998 -0.044652 -0.013238 35O 1px 0.130394 0.337823 -0.163995 0.144430 -0.220087 0.011201 35O 1py 0.044428 0.134251 -0.069487 0.080363 -0.123575 -0.008045 35O 2pz 0.015815 -0.087775 0.067253 -0.298473 0.185086 0.125018 35O 2px -0.730934 -2.107811 0.855027 -1.088873 1.343941 0.251179 35O 2py -0.260590 -0.823832 0.326469 -0.557019 0.675412 0.186060 35O 3pz -0.075530 -0.190977 -0.055090 0.001423 0.114479 0.058717 35O 3px -0.369150 -0.991514 0.389047 -0.455865 0.740886 0.065146 35O 3py -0.056658 -0.546861 0.182991 -0.281156 0.220877 -0.008093 35O 1dz2 0.012237 -0.009688 0.001441 -0.032315 0.006017 0.005250 35O 1dxz -0.011059 -0.019772 0.021963 0.029041 -0.002704 -0.025560 35O 1dyz -0.004518 0.019263 0.003025 -0.000495 0.020909 -0.011149 35O 1dx2y2 0.017130 0.032301 -0.008999 0.011181 -0.013678 -0.012728 35O 1dxy 0.003877 0.017559 0.012870 0.021790 -0.010547 -0.033070 35O 2dz2 0.130210 0.369729 -0.128140 0.185851 -0.238136 -0.068039 35O 2dxz 0.003068 -0.022602 -0.013632 -0.159485 0.077811 0.094522 35O 2dyz -0.003494 0.018794 -0.011748 -0.095321 0.071318 0.031222 35O 2dx2y2 -0.171436 -0.466606 0.184026 -0.227674 0.290490 0.047049 35O 2dxy -0.118702 -0.417880 0.143467 -0.329713 0.333044 0.096292 35O 1f0 0.009615 0.020234 -0.004642 -0.033881 -0.003140 0.013801 35O 1f+1 -0.011309 -0.048783 0.006212 -0.018173 0.020812 0.014733 35O 1f-1 0.020116 0.015604 -0.034470 -0.043582 0.005383 0.030914 35O 1f+2 -0.015926 -0.020861 0.026622 0.055730 -0.016456 -0.053017 35O 1f-2 -0.010012 -0.019190 0.006891 -0.002797 -0.011480 0.012385 35O 1f+3 -0.024884 -0.045917 0.022642 -0.004196 0.013767 -0.007508 35O 1f-3 -0.022204 -0.043011 0.018064 -0.032152 0.035621 0.000704 600 601 602 603 604 605 4.48226 4.48758 4.52626 4.53257 4.54633 4.54759 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s -0.002836 0.001036 -0.006642 0.000215 -0.005459 -0.000504 0Rh 2s 0.025083 -0.005672 0.053188 -0.001879 0.046683 0.003938 0Rh 3s -0.001975 0.002805 -0.007976 0.000163 -0.004798 -0.000662 0Rh 4s -0.143262 0.032834 -0.305855 0.010815 -0.268441 -0.022704 0Rh 5s 0.341819 -0.064254 0.716762 -0.026439 0.645970 0.053060 0Rh 6s -0.343486 -0.003218 -0.639443 0.029619 -0.667339 -0.045620 0Rh 7s 0.624131 0.602388 0.365464 -0.043248 1.301281 0.065838 0Rh 8s 0.125759 -0.169375 0.109475 0.016951 0.119748 -0.039597 0Rh 1pz 0.001400 -0.006887 0.003244 -0.001182 -0.005500 0.000594 0Rh 1px 0.012080 0.004255 0.000947 0.000873 0.007050 0.000143 0Rh 1py 0.002508 0.002192 -0.000525 -0.004876 0.003286 0.003111 0Rh 2pz -0.005476 0.027454 -0.012566 0.004733 0.022108 -0.002306 0Rh 2px -0.048519 -0.016216 -0.004925 -0.003497 -0.028640 -0.000637 0Rh 2py -0.010150 -0.008690 0.001882 0.019497 -0.013260 -0.012336 0Rh 3pz 0.011332 -0.071191 0.023931 -0.012430 -0.059155 0.004529 0Rh 3px 0.132371 0.025343 0.036603 0.009183 0.085042 0.003009 0Rh 3py 0.029600 0.021402 -0.000161 -0.050009 0.037328 0.029422 0Rh 4pz 0.005789 0.059687 0.016797 0.009661 0.045045 0.002422 0Rh 4px -0.129498 0.044956 -0.113693 -0.007070 -0.109685 -0.006693 0Rh 4py -0.037755 -0.013378 -0.018550 0.028862 -0.040031 -0.008240 0Rh 5pz -0.056597 -0.010887 -0.096033 0.001621 0.024994 -0.014787 0Rh 5px 0.064800 -0.173507 0.178459 -0.000801 0.127230 0.001451 0Rh 5py 0.040800 -0.008559 0.045963 0.055226 0.025838 -0.057772 0Rh 6pz 0.628165 0.052125 -0.023061 -0.002829 0.246919 -0.061268 0Rh 6px -0.937142 0.371323 0.230136 -0.056215 -1.823826 0.226190 0Rh 6py -0.258519 -0.002305 0.051238 -0.353379 -0.317996 0.100226 0Rh 1dz2 0.003658 -0.016051 0.025374 -0.006202 -0.002938 -0.011181 0Rh 1dxz 0.000822 -0.016683 0.030870 -0.002073 -0.010910 0.009267 0Rh 1dyz 0.004884 -0.002660 0.006453 -0.022401 -0.006840 -0.021406 0Rh 1dx2y2 -0.001427 0.030102 -0.047379 -0.004875 0.006097 -0.010526 0Rh 1dxy -0.001602 0.010224 -0.014297 -0.013326 0.002890 -0.010618 0Rh 2dz2 -0.000170 -0.002582 0.001652 -0.000108 -0.000083 -0.002820 0Rh 2dxz 0.000140 0.000465 0.001961 -0.000176 -0.000480 0.001012 0Rh 2dyz 0.000456 0.000495 0.000912 -0.000673 -0.000487 -0.006151 0Rh 2dx2y2 0.000586 0.003634 -0.002764 -0.000101 0.000118 -0.001557 0Rh 2dxy -0.000158 0.000580 -0.000684 -0.000527 -0.000199 -0.001785 0Rh 3dz2 -0.014477 0.078178 -0.112599 0.026385 0.012841 0.060390 0Rh 3dxz -0.003858 0.066576 -0.136825 0.009414 0.047619 -0.043400 0Rh 3dyz -0.022305 0.008589 -0.031059 0.096577 0.030875 0.119224 0Rh 3dx2y2 0.003264 -0.140972 0.208554 0.020889 -0.026080 0.051239 0Rh 3dxy 0.007298 -0.044891 0.062191 0.057744 -0.011156 0.053009 0Rh 4dz2 0.023524 -0.133564 0.175023 -0.043517 -0.023649 -0.117545 0Rh 4dxz 0.003654 -0.093377 0.211043 -0.014308 -0.072145 0.073035 0Rh 4dyz 0.036532 -0.008180 0.052563 -0.158801 -0.051461 -0.236408 0Rh 4dx2y2 -0.003195 0.233256 -0.319879 -0.035295 0.042049 -0.089006 0Rh 4dxy -0.011182 0.070144 -0.092781 -0.088731 0.015491 -0.097007 0Rh 5dz2 -0.069626 0.150726 -0.124834 0.129123 0.072847 0.146165 0Rh 5dxz 0.038628 0.067699 -0.115373 -0.008463 0.008599 -0.071686 0Rh 5dyz -0.036185 -0.000732 -0.032240 0.391087 0.075106 0.274352 0Rh 5dx2y2 0.040269 -0.247785 0.207372 0.099829 -0.051817 0.079710 0Rh 5dxy 0.001899 -0.067269 0.037967 0.100238 -0.004169 0.115421 0Rh 1f0 -0.000899 -0.011824 -0.000638 -0.003997 0.005300 -0.006696 0Rh 1f+1 0.001246 -0.002149 -0.004138 -0.006708 -0.009519 0.010117 0Rh 1f-1 0.005249 0.005529 0.001765 -0.004554 -0.010286 -0.009767 0Rh 1f+2 -0.012157 0.004713 -0.002355 0.004069 0.008517 -0.003369 0Rh 1f-2 -0.004460 0.004312 -0.003184 -0.021334 -0.001439 0.022595 0Rh 1f+3 0.003177 0.008876 -0.000571 0.007976 -0.012020 -0.001341 0Rh 1f-3 -0.004432 0.004993 0.000046 0.001464 -0.003540 -0.017592 1Rh 1s 0.002776 0.001056 -0.006546 -0.000203 0.005457 -0.001163 1Rh 2s -0.024680 -0.005885 0.052375 0.001785 -0.046665 0.009593 1Rh 3s 0.001854 0.002797 -0.007888 -0.000150 0.004794 -0.001234 1Rh 4s 0.140936 0.034040 -0.301181 -0.010277 0.268335 -0.055222 1Rh 5s -0.336724 -0.067180 0.705540 0.025200 -0.645704 0.131355 1Rh 6s 0.340527 -0.000139 -0.627900 -0.028663 0.667059 -0.126601 1Rh 7s -0.633561 0.597342 0.345308 0.046220 -1.286662 0.220901 1Rh 8s -0.124280 -0.169385 0.107532 -0.020480 -0.127153 -0.028570 1Rh 1pz 0.001390 0.006995 -0.003307 -0.001117 -0.005430 0.000063 1Rh 1px 0.012171 -0.004011 -0.000874 0.000908 0.006909 -0.000998 1Rh 1py 0.002770 -0.002179 0.000541 -0.004865 0.002921 -0.003509 1Rh 2pz -0.005441 -0.027884 0.012820 0.004472 0.021821 -0.000331 1Rh 2px -0.048859 0.015241 0.004630 -0.003642 -0.028084 0.004109 1Rh 2py -0.011198 0.008636 -0.001946 0.019448 -0.011813 0.013945 1Rh 3pz 0.011327 0.072244 -0.024631 -0.011742 -0.058331 0.002521 1Rh 3px 0.132749 -0.022800 -0.035752 0.009659 0.083718 -0.013233 1Rh 3py 0.032420 -0.021267 0.000332 -0.049731 0.033874 -0.034008 1Rh 4pz 0.005763 -0.060097 -0.016120 0.009128 0.044157 -0.007777 1Rh 4px -0.127861 -0.046988 0.112696 -0.007816 -0.109146 0.019580 1Rh 4py -0.040384 0.013272 0.018374 0.027934 -0.038968 0.013481 1Rh 5pz -0.057490 0.009108 0.095767 0.001315 0.025241 0.011817 1Rh 5px 0.060136 0.173274 -0.177485 0.000177 0.129419 -0.015887 1Rh 5py 0.041602 0.008641 -0.045733 0.057398 0.032146 0.053307 1Rh 6pz 0.635892 -0.039694 0.028831 0.000437 0.249508 0.032463 1Rh 6px -0.935274 -0.370104 -0.249572 -0.059204 -1.840443 -0.014328 1Rh 6py -0.258990 -0.000360 -0.056562 -0.355224 -0.329030 -0.054983 1Rh 1dz2 -0.003100 -0.016162 0.025458 0.006095 0.001307 -0.011213 1Rh 1dxz 0.000054 -0.016887 0.030938 0.002136 0.011638 0.007967 1Rh 1dyz -0.004795 -0.002754 0.006633 0.022305 0.004403 -0.021672 1Rh 1dx2y2 0.000301 0.030267 -0.047459 0.004900 -0.006715 -0.009917 1Rh 1dxy 0.001417 0.010267 -0.014411 0.013546 -0.004004 -0.009990 1Rh 2dz2 0.000263 -0.002576 0.001649 0.000101 -0.000260 -0.002792 1Rh 2dxz -0.000088 0.000454 0.001948 0.000204 0.000587 0.000951 1Rh 2dyz -0.000428 0.000491 0.000915 0.000651 -0.000206 -0.006141 1Rh 2dx2y2 -0.000727 0.003619 -0.002753 0.000082 -0.000254 -0.001549 1Rh 2dxy 0.000222 0.000574 -0.000685 0.000585 -0.000014 -0.001786 1Rh 3dz2 0.011743 0.078619 -0.112941 -0.025907 -0.004374 0.060408 1Rh 3dxz 0.000009 0.067471 -0.137056 -0.009808 -0.051166 -0.037708 1Rh 3dyz 0.021804 0.008996 -0.031818 -0.096077 -0.017339 0.120288 1Rh 3dx2y2 0.002024 -0.141598 0.208850 -0.020895 0.029311 0.048653 1Rh 3dxy -0.006840 -0.045039 0.062675 -0.058928 0.016841 0.050382 1Rh 4dz2 -0.018819 -0.134306 0.175567 0.042796 0.007715 -0.117657 1Rh 4dxz 0.002366 -0.094674 0.211295 0.015171 0.078379 0.064405 1Rh 4dyz -0.035506 -0.008798 0.053735 0.157934 0.024694 -0.237914 1Rh 4dx2y2 -0.005538 0.234202 -0.320302 0.035096 -0.048012 -0.084894 1Rh 4dxy 0.011083 0.070329 -0.093541 0.090957 -0.026104 -0.092919 1Rh 5dz2 0.064403 0.152971 -0.126004 -0.129579 -0.053771 0.150247 1Rh 5dxz -0.045220 0.066910 -0.114801 0.006538 -0.016483 -0.070783 1Rh 5dyz 0.033402 -0.000604 -0.034274 -0.392441 -0.044526 0.276651 1Rh 5dx2y2 -0.031414 -0.249813 0.207441 -0.099155 0.057405 0.075501 1Rh 5dxy -0.004134 -0.067409 0.038339 -0.103627 0.017213 0.111182 1Rh 1f0 -0.001265 0.011759 0.000634 -0.004050 0.006349 0.006088 1Rh 1f+1 0.001254 0.002301 0.004029 -0.006746 -0.010774 -0.009006 1Rh 1f-1 0.005666 -0.005249 -0.001785 -0.004374 -0.009122 0.011073 1Rh 1f+2 -0.012168 -0.005127 0.002369 0.004155 0.008592 0.002445 1Rh 1f-2 -0.004403 -0.004416 0.003077 -0.021638 -0.004142 -0.022179 1Rh 1f+3 0.003520 -0.008680 0.000498 0.008061 -0.012140 0.002638 1Rh 1f-3 -0.004051 -0.005065 0.000059 0.001871 -0.001805 0.017891 2C 1s -0.004260 -0.001724 0.008419 -0.000478 0.000283 0.013861 2C 2s -0.012159 0.004859 0.011602 0.007047 0.009841 0.018399 2C 3s 0.205702 -0.241537 0.030239 -0.340582 -0.433557 0.100186 2C 4s -0.218756 0.351008 -0.536385 0.399694 0.650835 -0.740700 2C 5s -0.225470 -1.066912 1.829178 -1.540835 -1.607846 3.771523 2C 1pz 0.068862 -0.039883 -0.036291 -0.046065 -0.064386 -0.058756 2C 1px -0.001389 0.021762 -0.016290 -0.004400 -0.028475 -0.016199 2C 1py 0.027746 -0.018380 -0.022768 -0.027284 -0.034223 -0.032971 2C 2pz -0.279847 -0.579953 0.622954 -0.905387 -0.829741 1.153179 2C 2px 1.180146 -1.344249 0.186461 -0.137171 0.381528 0.061678 2C 2py 0.042026 -0.516542 0.537872 -0.600124 -0.479558 0.730465 2C 3pz -0.039500 -0.047717 0.192506 -0.160946 -0.164936 0.533118 2C 3px -0.335310 0.235198 0.222084 0.104118 0.019892 0.316203 2C 3py -0.026525 -0.042748 0.078963 -0.133172 -0.141484 0.351467 2C 1dz2 0.047428 -0.116276 0.091922 -0.077909 -0.029979 0.091893 2C 1dxz -0.245070 0.173383 0.072767 -0.023624 -0.096434 0.116688 2C 1dyz 0.141598 -0.231163 0.098341 -0.122110 -0.070143 0.113721 2C 1dx2y2 0.131714 -0.070330 -0.057236 0.008635 0.049715 -0.095666 2C 1dxy -0.070267 0.043828 -0.004653 -0.031396 -0.076566 0.035618 2C 2dz2 -0.034957 -0.161287 0.149528 -0.260056 -0.188385 0.240785 2C 2dxz -0.482514 0.363392 0.035727 -0.280343 -0.416415 0.171962 2C 2dyz 0.306307 -0.583238 0.309684 -0.254324 -0.079765 0.381842 2C 2dx2y2 0.291958 -0.264542 0.071578 0.226240 0.437043 -0.095581 2C 2dxy -0.126339 -0.006827 0.080624 -0.013633 -0.038195 0.169368 2C 1f0 0.174757 -0.100581 -0.045680 0.045822 0.169379 -0.147433 2C 1f+1 0.074328 -0.073504 -0.050598 -0.080040 -0.083502 -0.046452 2C 1f-1 -0.144241 0.153720 -0.012303 0.064793 0.063637 -0.043924 2C 1f+2 -0.212771 0.050548 0.155859 -0.162727 -0.223781 0.284591 2C 1f-2 -0.236194 0.350897 -0.162530 0.151288 0.085041 -0.228559 2C 1f+3 -0.037132 -0.136512 0.185943 -0.219100 -0.221312 0.286715 2C 1f-3 0.304054 -0.289380 0.005289 -0.055204 0.007675 -0.013876 3C 1s -0.007316 -0.000292 0.010907 0.001360 -0.002331 -0.012847 3C 2s -0.014875 0.006754 0.015009 -0.008439 0.003854 -0.015368 3C 3s 0.134317 -0.236488 0.039167 0.467471 -0.298651 -0.157690 3C 4s -0.108822 0.333853 -0.630842 -0.647857 0.209113 0.626576 3C 5s -0.817519 -0.594033 2.446663 1.842706 -2.160033 -3.547476 3C 1pz 0.041434 -0.031949 -0.018583 0.026066 -0.005387 0.021589 3C 1px 0.010917 0.014043 -0.019176 0.009289 -0.018344 0.011459 3C 1py -0.060761 0.045024 0.052594 -0.074624 0.024130 -0.042793 3C 2pz -1.066107 0.283824 0.561390 0.712278 -1.023884 -0.900158 3C 2px 0.635689 -1.317194 0.318706 0.584233 -0.040652 -0.380183 3C 2py 0.537192 0.597309 -0.868647 -1.070156 1.318121 1.331189 3C 3pz 0.155515 -0.131370 -0.000144 0.212557 -0.170772 -0.181790 3C 3px -0.246209 0.227182 0.257304 -0.067200 -0.128328 -0.259648 3C 3py 0.152761 -0.066172 -0.328939 -0.136997 0.210353 0.511855 3C 1dz2 0.038121 -0.021523 -0.009404 -0.036868 0.068007 0.028859 3C 1dxz -0.200552 0.161507 0.075247 -0.001516 -0.124321 -0.096258 3C 1dyz -0.142267 0.274147 -0.077949 -0.173844 0.072294 0.102217 3C 1dx2y2 0.092895 0.050062 -0.136823 -0.085176 0.083613 0.135564 3C 1dxy 0.159766 -0.052720 -0.096549 -0.067977 0.138942 0.120892 3C 2dz2 0.109810 -0.022980 -0.157155 0.038718 0.064727 0.139053 3C 2dxz -0.460558 0.399460 0.039912 0.205374 -0.452043 -0.200535 3C 2dyz -0.187422 0.631174 -0.337673 -0.281658 0.121678 0.376278 3C 2dx2y2 0.281021 -0.041361 -0.124034 -0.401236 0.497543 0.313144 3C 2dxy 0.293221 0.008407 -0.186984 -0.326035 0.387357 0.302362 3C 1f0 0.212906 -0.057821 -0.154731 -0.095000 0.157867 0.176610 3C 1f+1 0.271351 -0.225905 -0.081309 -0.000900 0.141283 0.103252 3C 1f-1 -0.028864 0.178085 -0.136377 -0.143115 0.076174 0.170966 3C 1f+2 -0.060681 -0.218779 0.232952 0.371921 -0.317713 -0.357508 3C 1f-2 -0.126062 -0.045789 0.204636 0.164080 -0.176515 -0.271112 3C 1f+3 -0.082817 0.092677 -0.036023 0.038683 -0.119564 0.009999 3C 1f-3 -0.292266 0.336345 -0.004148 -0.115658 -0.048821 0.007365 4C 1s -0.014400 0.006938 0.018955 0.019291 0.024010 0.013695 4C 2s -0.032575 0.022129 0.034977 0.046333 0.054531 0.021235 4C 3s -0.331435 -0.287408 0.979727 0.402684 0.699628 1.263935 4C 4s 2.532021 0.671334 -5.508175 -2.964331 -4.585248 -6.705955 4C 5s 0.421152 0.259824 -1.145051 0.283572 0.382029 -1.760514 4C 1pz 0.007628 0.057740 -0.052385 0.065381 0.086239 -0.056486 4C 1px -0.011775 0.010672 -0.009560 0.018422 -0.000216 -0.013322 4C 1py 0.003567 0.037600 -0.031304 0.053869 0.035649 -0.032545 4C 2pz 0.775282 -1.046782 -1.306359 -2.532254 -3.058139 -1.330197 4C 2px 0.219028 0.991106 0.823075 1.906508 2.653572 0.829104 4C 2py 0.472271 -0.210578 -0.497459 -0.865134 -0.792439 -0.519317 4C 3pz -0.245517 0.019765 0.441253 -0.439600 -0.553549 1.647624 4C 3px 0.139188 -0.034079 0.000389 -0.184379 0.095920 0.158231 4C 3py -0.187149 0.041392 0.318418 -0.317585 -0.262200 1.098531 4C 1dz2 0.034365 -0.106125 0.044185 -0.033725 -0.044146 0.061957 4C 1dxz -0.195020 0.191754 0.220927 0.259755 0.293802 0.271743 4C 1dyz 0.083691 -0.075909 -0.070919 -0.083805 -0.111413 -0.036220 4C 1dx2y2 0.154294 -0.003303 -0.257253 -0.179415 -0.236477 -0.295304 4C 1dxy 0.008929 0.114523 -0.085064 0.001790 -0.031653 -0.079975 4C 2dz2 -0.377470 0.183056 0.047474 0.154458 0.114356 -0.064158 4C 2dxz -0.284615 0.371235 0.889603 1.275425 1.698281 0.806803 4C 2dyz -0.039555 0.427416 -0.311460 0.275875 0.147221 -0.508012 4C 2dx2y2 0.449441 -0.135989 -0.866504 -0.933169 -1.141209 -0.798085 4C 2dxy 0.287944 0.151402 -0.232697 0.172809 0.256793 -0.248792 4C 1f0 -0.102236 0.040885 0.128080 0.090401 0.046121 0.173121 4C 1f+1 0.089761 -0.167642 0.277018 0.180639 0.293650 0.229406 4C 1f-1 -0.050653 -0.080729 0.080360 -0.141829 -0.159662 0.083524 4C 1f+2 0.144823 -0.050153 -0.307465 -0.192544 -0.276420 -0.331221 4C 1f-2 0.158076 -0.144105 0.096333 0.058078 0.183424 0.070492 4C 1f+3 0.122605 -0.153990 -0.082962 -0.119257 -0.106104 -0.114017 4C 1f-3 -0.063859 -0.115214 0.158427 0.000568 0.037973 0.152114 5C 1s -0.014659 0.007972 0.021329 -0.024184 0.016361 -0.006557 5C 2s -0.028478 0.023073 0.038612 -0.058281 0.041943 -0.004875 5C 3s -0.626923 -0.172430 1.214283 -0.479500 0.167188 -1.074702 5C 4s 3.910406 0.105506 -6.737578 3.603482 -1.643289 5.398280 5C 5s 0.818022 0.157019 -1.433452 -0.414734 0.700471 1.543795 5C 1pz 0.024882 0.026010 -0.031000 -0.041402 0.067892 0.034109 5C 1px 0.012120 0.015068 -0.025749 -0.037966 0.016501 0.036351 5C 1py -0.051927 -0.048450 0.062449 0.102306 -0.101892 -0.078476 5C 2pz 0.223325 -0.784077 -1.176278 2.154868 -1.884804 0.713155 5C 2px 0.390187 1.132740 0.924791 -1.772920 1.438409 -1.351044 5C 2py -0.426183 0.935773 1.403619 -2.781396 2.295711 -0.578602 5C 3pz -0.183759 0.211186 0.500037 0.181581 -0.467446 -0.900700 5C 3px 0.045978 0.065223 0.202570 0.267005 -0.008362 -0.510495 5C 3py 0.176781 -0.260344 -0.682070 -0.447990 0.694019 1.407050 5C 1dz2 -0.063278 -0.048890 0.169904 -0.109792 0.065835 -0.082566 5C 1dxz -0.137962 0.121839 0.243078 -0.235789 0.130722 -0.202789 5C 1dyz -0.173745 0.173652 0.184675 -0.238777 0.128845 -0.104963 5C 1dx2y2 0.123677 0.081291 -0.222059 0.077801 -0.065073 0.146537 5C 1dxy 0.092011 -0.176933 -0.160454 0.200869 -0.115655 0.175384 5C 2dz2 -0.444931 -0.095732 0.520629 -0.200559 0.106370 -0.293126 5C 2dxz -0.245019 0.283720 0.846582 -1.172424 0.985306 -0.413209 5C 2dyz -0.232182 -0.154972 0.821659 -0.271026 0.076618 -0.861812 5C 2dx2y2 0.525801 -0.207167 -0.628492 0.832921 -0.584195 -0.007621 5C 2dxy -0.003626 -0.498788 -0.559884 1.290100 -1.086087 0.325163 5C 1f0 -0.044164 0.125266 0.135836 -0.267898 0.190146 -0.110032 5C 1f+1 -0.055094 -0.093252 0.143953 -0.008428 -0.008358 -0.045482 5C 1f-1 0.103888 -0.074449 0.027814 -0.031190 0.103898 -0.027778 5C 1f+2 0.176080 -0.095372 -0.133376 -0.012789 0.139696 0.155128 5C 1f-2 0.037346 0.016853 -0.373951 0.254935 -0.202889 0.287464 5C 1f+3 0.009888 -0.249548 0.231519 0.011140 0.056241 -0.130902 5C 1f-3 0.230320 -0.063227 -0.278419 0.151948 -0.037127 0.178707 6C 1s 0.014498 0.008520 0.021350 0.023856 -0.016830 -0.004921 6C 2s 0.027893 0.024304 0.038646 0.057534 -0.041590 -0.000710 6C 3s 0.638979 -0.157649 1.214582 0.468091 -0.298108 -1.053089 6C 4s -3.948977 0.000634 -6.739775 -3.530847 2.278942 5.211601 6C 5s -0.830394 0.147552 -1.429257 0.420146 -0.501032 1.610246 6C 1pz 0.025811 -0.026392 0.031246 -0.041197 0.061986 -0.041165 6C 1px 0.012698 -0.015228 0.025458 -0.038114 0.011253 -0.037677 6C 1py -0.053549 0.048623 -0.062312 0.101606 -0.089221 0.088192 6C 2pz 0.190712 0.817184 1.167708 2.119921 -1.932456 -0.500906 6C 2px 0.462671 -1.147871 -0.903921 -1.730117 1.593987 1.155330 6C 2py -0.394443 -0.976079 -1.398124 -2.740298 2.309456 0.332363 6C 3pz -0.186232 -0.211294 -0.496780 0.180803 -0.357196 0.948352 6C 3px 0.043017 -0.065196 -0.197014 0.265366 0.053736 0.505502 6C 3py 0.186063 0.260688 0.679371 -0.445017 0.518440 -1.476249 6C 1dz2 0.067697 -0.046422 0.170403 0.108623 -0.074451 -0.076678 6C 1dxz 0.132740 0.127225 0.242011 0.230170 -0.152224 -0.186947 6C 1dyz 0.167257 0.179830 0.184089 0.234493 -0.138557 -0.091203 6C 1dx2y2 -0.129208 0.078135 -0.222648 -0.076750 0.081495 0.140794 6C 1dxy -0.082541 -0.181745 -0.158286 -0.194794 0.133894 0.159711 6C 2dz2 0.453170 -0.086019 0.522474 0.196036 -0.138760 -0.284533 6C 2dxz 0.238129 0.303007 0.845457 1.156617 -1.018574 -0.305690 6C 2dyz 0.236327 -0.150093 0.819780 0.262097 -0.187922 -0.844696 6C 2dx2y2 -0.526892 -0.224458 -0.631744 -0.825327 0.564949 -0.060110 6C 2dxy 0.027299 -0.512627 -0.555057 -1.269614 1.106525 0.201109 6C 1f0 -0.037817 -0.128937 -0.134697 -0.262554 0.198931 0.087877 6C 1f+1 -0.060904 0.092389 -0.144590 -0.010059 -0.002055 0.047592 6C 1f-1 0.100467 0.074461 -0.027294 -0.031370 0.107270 0.015072 6C 1f+2 0.171324 0.097935 0.132953 -0.015121 0.118654 -0.168488 6C 1f-2 0.038008 -0.014097 0.372971 0.250058 -0.237216 -0.262814 6C 1f+3 -0.002353 0.249939 -0.232143 0.009546 0.074509 0.124858 6C 1f-3 0.229104 0.069091 0.278793 0.147288 -0.056660 -0.174703 7C 1s 0.014419 0.007664 0.018729 -0.019185 -0.022082 0.016565 7C 2s 0.032577 0.023741 0.034375 -0.045992 -0.051024 0.027798 7C 3s 0.337182 -0.267751 0.978557 -0.402298 -0.559760 1.341443 7C 4s -2.560149 0.532019 -5.489096 2.951946 3.818327 -7.224566 7C 5s -0.434575 0.248917 -1.154782 -0.279137 -0.557749 -1.699982 7C 1pz 0.008071 -0.057824 0.053845 0.063681 0.088609 0.045583 7C 1px -0.011674 -0.010928 0.009507 0.018259 0.000436 0.013026 7C 1py 0.004014 -0.038033 0.032605 0.053600 0.037577 0.028175 7C 2pz 0.758290 1.096993 1.261588 -2.493999 -2.855054 1.678375 7C 2px 0.290774 -1.016073 -0.779514 1.889813 2.586403 -1.113669 7C 2py 0.494320 0.236059 0.489000 -0.857205 -0.701740 0.619701 7C 3pz -0.245837 -0.019381 -0.447763 -0.436347 -0.727895 -1.562929 7C 3px 0.144647 0.035819 0.002756 -0.181139 0.079710 -0.166702 7C 3py -0.181797 -0.041480 -0.320206 -0.316865 -0.384240 -1.056321 7C 1dz2 -0.030911 -0.108005 0.046676 0.031643 0.050854 0.058388 7C 1dxz 0.190936 0.200575 0.216708 -0.255268 -0.262375 0.302381 7C 1dyz -0.082212 -0.079296 -0.070414 0.084163 0.106320 -0.050222 7C 1dx2y2 -0.156899 -0.011354 -0.255019 0.177259 0.199871 -0.321967 7C 1dxy -0.013428 0.113559 -0.085950 -0.000523 0.019314 -0.085309 7C 2dz2 0.388727 0.192882 0.048161 -0.150406 -0.102364 -0.042815 7C 2dxz 0.264980 0.395104 0.868515 -1.263971 -1.596317 1.000921 7C 2dyz 0.037470 0.428132 -0.318961 -0.269049 -0.187285 -0.488518 7C 2dx2y2 -0.456922 -0.165559 -0.856466 0.928168 1.033014 -0.933936 7C 2dxy -0.301800 0.147378 -0.239354 -0.171769 -0.291852 -0.220657 7C 1f0 -0.106040 -0.046433 -0.127581 0.088786 0.028179 -0.177299 7C 1f+1 0.089409 0.165366 -0.274437 0.181689 0.265994 -0.263713 7C 1f-1 -0.053024 0.080616 -0.083662 -0.139071 -0.165229 -0.064533 7C 1f+2 0.141216 0.055122 0.305712 -0.189426 -0.240287 0.361566 7C 1f-2 0.161807 0.144841 -0.094622 0.061747 0.179563 -0.091549 7C 1f+3 0.120660 0.158699 0.080535 -0.116225 -0.094304 0.123562 7C 1f-3 -0.068724 0.112341 -0.159759 0.002535 0.020004 -0.157427 8C 1s 0.007369 -0.000133 0.010891 -0.001424 0.000691 -0.012998 8C 2s 0.014708 0.007200 0.015012 0.008257 -0.005636 -0.014926 8C 3s -0.126350 -0.243392 0.037924 -0.463454 0.271183 -0.184082 8C 4s 0.095105 0.337524 -0.626403 0.645959 -0.125579 0.633043 8C 5s 0.865252 -0.601535 2.438231 -1.836340 1.685019 -3.752472 8C 1pz 0.040453 0.033155 0.018652 0.025679 -0.007779 -0.021231 8C 1px 0.012140 -0.013743 0.019670 0.009718 -0.019881 -0.010037 8C 1py -0.059486 -0.046764 -0.052595 -0.073432 0.028349 0.040613 8C 2pz -1.048038 -0.292356 -0.557112 0.713134 -0.891407 1.002985 8C 2px 0.577481 1.339974 -0.323800 0.564502 0.028843 0.382671 8C 2py 0.563730 -0.598665 0.870358 -1.066555 1.119149 -1.460643 8C 3pz 0.146056 0.135921 -0.001295 0.208873 -0.144935 0.198629 8C 3px -0.241264 -0.234151 -0.259939 -0.065428 -0.096318 0.275133 8C 3py 0.153959 0.066293 0.324746 -0.138226 0.148141 -0.531844 8C 1dz2 -0.034729 -0.018912 -0.009194 0.037588 -0.062426 0.035179 8C 1dxz 0.191523 0.163839 0.074773 -0.001654 0.111861 -0.108256 8C 1dyz 0.130507 0.279552 -0.078764 0.170633 -0.053999 0.108298 8C 1dx2y2 -0.095124 0.048920 -0.136226 0.084424 -0.064086 0.143628 8C 1dxy -0.159046 -0.056334 -0.096596 0.068724 -0.122605 0.135383 8C 2dz2 -0.102777 -0.016206 -0.157487 -0.036073 -0.043412 0.144281 8C 2dxz 0.437499 0.403161 0.038060 -0.211502 0.423128 -0.245307 8C 2dyz 0.160471 0.640164 -0.340197 0.277123 -0.061864 0.384923 8C 2dx2y2 -0.278277 -0.042813 -0.122317 0.396891 -0.448432 0.363822 8C 2dxy -0.298887 0.001097 -0.187360 0.324315 -0.343862 0.344216 8C 1f0 0.214233 0.062735 0.155614 -0.096145 0.135416 -0.195294 8C 1f+1 0.257994 0.233463 0.075497 0.003121 0.123476 -0.110351 8C 1f-1 -0.022510 -0.179461 0.135345 -0.141180 0.049680 -0.174353 8C 1f+2 -0.069167 0.220462 -0.230982 0.368636 -0.264321 0.384691 8C 1f-2 -0.127786 0.049430 -0.207540 0.168680 -0.141596 0.291944 8C 1f+3 -0.075741 -0.088135 0.033869 0.043094 -0.120370 0.005080 8C 1f-3 -0.279125 -0.343006 0.002981 -0.107910 -0.056786 0.001905 9C 1s 0.004363 -0.001542 0.008461 0.000522 0.001080 0.013790 9C 2s 0.012227 0.005415 0.011553 -0.006918 -0.007787 0.019493 9C 3s -0.201684 -0.251863 0.034752 0.339486 0.431636 0.045018 9C 4s 0.202164 0.362551 -0.540107 -0.408393 -0.709257 -0.650498 9C 5s 0.241977 -1.074611 1.855939 1.523105 1.967793 3.541023 9C 1pz 0.068315 0.042671 0.035435 -0.045356 -0.056305 0.065744 9C 1px -0.000987 -0.021427 0.016382 -0.004811 -0.026040 0.020137 9C 1py 0.027886 0.019702 0.023082 -0.027960 -0.030692 0.037814 9C 2pz -0.294821 0.566501 -0.641577 -0.895554 -0.914049 -1.042747 9C 2px 1.174922 1.365735 -0.189046 -0.114103 0.383852 -0.117483 9C 2py 0.059797 0.533680 -0.552516 -0.581838 -0.525817 -0.670421 9C 3pz -0.035904 0.051174 -0.190984 -0.160283 -0.223568 -0.503660 9C 3px -0.335007 -0.245240 -0.223322 0.101717 -0.014469 -0.314375 9C 3py -0.035412 0.039451 -0.086587 -0.131122 -0.175672 -0.338027 9C 1dz2 -0.049977 -0.118462 0.092241 0.074673 0.035037 0.086656 9C 1dxz 0.246901 0.180426 0.073049 0.025550 0.108063 0.102473 9C 1dyz -0.138865 -0.233228 0.101741 0.118669 0.077202 0.106074 9C 1dx2y2 -0.132718 -0.072393 -0.058269 -0.010990 -0.059051 -0.088968 9C 1dxy 0.068703 0.041395 -0.003224 0.033231 0.077241 0.025533 9C 2dz2 0.027304 -0.165777 0.152017 0.252949 0.199483 0.212338 9C 2dxz 0.485413 0.377545 0.038715 0.280977 0.429403 0.116683 9C 2dyz -0.297657 -0.583315 0.317881 0.245653 0.108343 0.374897 9C 2dx2y2 -0.293313 -0.264869 0.067303 -0.232683 -0.440030 -0.041048 9C 2dxy 0.120949 -0.013433 0.083696 0.017330 0.049678 0.163212 9C 1f0 0.178685 0.103433 0.047404 0.050263 0.182402 0.124998 9C 1f+1 0.079168 0.080353 0.050370 -0.077557 -0.071192 0.058648 9C 1f-1 -0.139909 -0.153731 0.011070 0.061817 0.064966 0.033199 9C 1f+2 -0.208415 -0.042409 -0.164578 -0.170148 -0.253055 -0.261220 9C 1f-2 -0.235801 -0.355734 0.162728 0.143524 0.094949 0.212662 9C 1f+3 -0.046611 0.126690 -0.186791 -0.213679 -0.241782 -0.253506 9C 1f-3 0.304673 0.304882 -0.013867 -0.060906 0.003530 0.001524 10H 1s -0.363525 0.169962 0.151450 -0.228960 -0.378336 0.332760 10H 2s -0.926464 0.691202 0.202321 -0.394230 -0.749360 0.550104 10H 3s 0.311648 -0.053940 -0.384977 0.164597 0.232542 -0.572593 10H 1pz -0.214930 0.129367 0.089000 -0.107980 -0.200351 0.194830 10H 1px 0.400406 -0.229799 -0.167808 0.153737 0.282581 -0.322793 10H 1py -0.062545 0.050701 0.020423 -0.052762 -0.084498 0.053206 11H 1s 0.240313 -0.377404 0.146042 -0.155266 -0.107133 0.218512 11H 2s 0.542994 -0.789624 0.250609 -0.190216 0.008416 0.364208 11H 3s -0.207817 0.415225 -0.158019 0.288447 0.233648 -0.341865 11H 1pz 0.120955 -0.215086 0.084036 -0.117706 -0.080891 0.147506 11H 1px 0.235927 -0.330442 0.102782 -0.100951 -0.025542 0.139983 11H 1py -0.129972 0.185469 -0.047088 0.087603 0.070368 -0.089563 12H 1s 0.190867 -0.321009 0.180282 -0.195967 -0.103015 0.222399 12H 2s 0.456392 -0.654538 0.374768 -0.273433 -0.046073 0.342626 12H 3s -0.142466 0.339947 -0.273928 0.247062 0.221200 -0.375913 12H 1pz -0.045950 0.078193 -0.040555 0.037799 0.012824 -0.047243 12H 1px 0.159408 -0.220908 0.111890 -0.049758 0.024322 0.104720 12H 1py 0.177053 -0.291857 0.179355 -0.185830 -0.105141 0.204174 13H 1s -0.437259 0.222965 0.214698 0.247414 -0.430525 -0.338420 13H 2s -1.036415 0.798994 0.351425 0.380793 -0.818102 -0.623327 13H 3s 0.411682 -0.129237 -0.493625 -0.189885 0.355505 0.537261 13H 1pz -0.347452 0.220466 0.163311 0.151434 -0.289257 -0.255694 13H 1px 0.381075 -0.225047 -0.200601 -0.111851 0.272650 0.268167 13H 1py 0.158562 -0.104887 -0.089671 -0.073901 0.146707 0.138100 14H 1s 0.048679 -0.303601 0.202997 0.286882 -0.164308 -0.265577 14H 2s 0.136623 -0.682729 0.352666 0.522398 -0.168217 -0.422388 14H 3s 0.048431 0.313008 -0.323610 -0.347481 0.274288 0.432000 14H 1pz -0.025642 -0.121556 0.089906 0.188645 -0.122039 -0.135095 14H 1px 0.073330 -0.351698 0.212626 0.251001 -0.090982 -0.244071 14H 1py -0.008044 -0.026556 0.030550 0.034080 -0.032769 -0.045699 15H 1s 0.132834 -0.347602 0.190932 0.236332 -0.134360 -0.241446 15H 2s 0.390828 -0.723458 0.329788 0.308832 -0.065638 -0.378288 15H 3s -0.122708 0.357258 -0.209799 -0.359502 0.302695 0.350546 15H 1pz -0.146793 0.286049 -0.104491 -0.179599 0.085088 0.151319 15H 1px 0.081578 -0.132957 0.044843 0.041335 0.010170 -0.042038 15H 1py -0.100846 0.248266 -0.138229 -0.193372 0.115120 0.186938 16H 1s -0.007572 0.017780 -0.014834 0.031568 0.004157 -0.015726 16H 2s -0.037774 0.026678 -0.020107 -0.051681 0.037871 0.142187 16H 3s 0.031213 0.012860 0.003643 -0.023951 0.028643 0.034165 16H 1pz -0.014671 0.014121 -0.018549 0.007660 0.033332 0.036057 16H 1px -0.001296 0.000842 -0.013721 -0.000071 -0.011461 -0.017733 16H 1py 0.002043 0.009491 -0.006035 0.012969 0.008283 0.009937 17H 1s 0.012797 -0.001561 -0.009399 -0.013286 -0.013626 -0.001093 17H 2s -0.033056 -0.029790 -0.003597 0.044619 0.031269 -0.086069 17H 3s 0.037589 -0.001315 0.021104 0.026885 0.040460 -0.025167 17H 1pz -0.003865 -0.006951 0.011474 0.000231 0.005747 0.014244 17H 1px -0.015366 0.015269 -0.016406 -0.025846 -0.004171 0.034971 17H 1py 0.006835 -0.006472 -0.003799 0.010900 0.004161 -0.024739 18H 1s -0.013560 -0.001866 -0.008808 0.012703 0.013701 -0.003187 18H 2s 0.038542 -0.030823 -0.006825 -0.040873 -0.045845 -0.075930 18H 3s -0.038100 -0.001829 0.020840 -0.026739 -0.042264 -0.019774 18H 1pz -0.003723 0.006319 -0.011563 0.000429 0.003444 -0.014699 18H 1px -0.014355 -0.016157 0.015790 -0.025278 -0.009321 -0.032775 18H 1py 0.006489 0.006567 0.003833 0.010631 0.007127 0.022647 19H 1s 0.006856 0.018158 -0.014640 -0.032637 -0.005241 -0.016380 19H 2s 0.043423 0.025887 -0.022665 0.058647 -0.025467 0.150074 19H 3s -0.030836 0.012322 0.004052 0.024446 -0.023655 0.037862 19H 1pz -0.016176 -0.014111 0.019345 0.005817 0.029532 -0.039852 19H 1px -0.000374 -0.000718 0.013423 0.000199 -0.009613 0.019652 19H 1py 0.001543 -0.009979 0.006668 0.013470 0.007605 -0.011629 20H 1s -0.118445 -0.353479 0.191411 -0.234610 0.097622 -0.251820 20H 2s -0.360006 -0.735577 0.333329 -0.305266 0.007053 -0.378385 20H 3s 0.106662 0.365164 -0.211558 0.355929 -0.249177 0.378200 20H 1pz -0.134603 -0.290825 0.105670 -0.177558 0.061024 -0.157820 20H 1px 0.076717 0.137974 -0.046857 0.041441 0.016739 0.042142 20H 1py -0.089734 -0.251723 0.138737 -0.191062 0.086139 -0.195629 21H 1s -0.034766 -0.307594 0.202658 -0.281855 0.123827 -0.280274 21H 2s -0.103081 -0.687558 0.354670 -0.507816 0.100074 -0.438007 21H 3s -0.062483 0.316606 -0.321444 0.344287 -0.212609 0.456739 21H 1pz -0.031479 0.124218 -0.091182 0.186833 -0.101239 0.148766 21H 1px 0.057054 0.354062 -0.211962 0.244518 -0.053081 0.250524 21H 1py -0.008282 0.028485 -0.030617 0.034606 -0.026281 0.049246 22H 1s 0.426767 0.228309 0.213288 -0.250216 0.383851 -0.381187 22H 2s 0.996006 0.816179 0.345029 -0.392461 0.735354 -0.703085 22H 3s -0.406813 -0.135538 -0.492241 0.193026 -0.283038 0.571399 22H 1pz -0.334069 -0.224136 -0.160453 0.153355 -0.252846 0.281822 22H 1px 0.371702 0.232192 0.199865 -0.116260 0.238078 -0.295940 22H 1py 0.154764 0.108488 0.089409 -0.077179 0.129944 -0.153431 23H 1s -0.191047 -0.326456 0.183331 0.189261 0.118203 0.208170 23H 2s -0.458872 -0.662426 0.380210 0.254335 0.064986 0.338962 23H 3s 0.143503 0.345972 -0.275503 -0.240365 -0.252615 -0.344481 23H 1pz -0.048796 -0.082178 0.041518 0.037375 0.016595 0.045518 23H 1px 0.157021 0.219731 -0.109799 -0.043721 0.017558 -0.104606 23H 1py 0.179499 0.298215 -0.183359 -0.179133 -0.118263 -0.191724 24H 1s -0.235513 -0.383256 0.149490 0.153195 0.122538 0.205005 24H 2s -0.532336 -0.799969 0.256757 0.186987 0.017736 0.367400 24H 3s 0.200583 0.421697 -0.165092 -0.283632 -0.258964 -0.313704 24H 1pz 0.116371 0.216281 -0.086180 -0.116298 -0.090947 -0.136803 24H 1px 0.234489 0.339420 -0.107348 -0.099390 -0.035147 -0.140234 24H 1py -0.123535 -0.183621 0.047891 0.085196 0.074658 0.079353 25H 1s 0.366682 0.175704 0.156165 0.232038 0.405675 0.282308 25H 2s 0.927336 0.707826 0.207636 0.407441 0.791798 0.445854 25H 3s -0.314113 -0.061391 -0.389693 -0.165288 -0.283910 -0.537706 25H 1pz -0.218303 -0.134427 -0.091420 -0.112755 -0.218136 -0.168080 25H 1px 0.401530 0.237321 0.170804 0.157448 0.309291 0.283019 25H 1py -0.057816 -0.048542 -0.019631 -0.051307 -0.084037 -0.038887 26O 1s -0.012643 0.002779 0.010293 0.006439 0.004037 0.007301 26O 2s -0.045917 0.004569 0.041843 0.022397 0.015026 0.030026 26O 3s 0.467941 0.067473 -0.535610 -0.218231 -0.174063 -0.406417 26O 4s -1.107615 -0.390705 1.456005 0.491500 0.428113 1.104837 26O 5s -0.734250 -0.436594 0.722159 -0.081506 -0.241688 0.976291 26O 1pz -0.023801 -0.001622 0.032781 0.017838 0.064005 0.041258 26O 1px -0.151072 -0.001959 0.118655 0.031917 0.048516 0.152256 26O 1py -0.050613 -0.008564 0.059544 0.034230 0.059780 0.079120 26O 2pz 0.052915 0.076921 -0.141005 -0.104268 -0.293378 -0.178364 26O 2px 0.679859 0.312017 -0.802564 -0.124456 -0.199327 -0.902029 26O 2py 0.212362 0.180532 -0.373914 -0.158065 -0.259145 -0.427622 26O 3pz 0.116621 -0.176232 -0.221973 -0.297144 -0.087760 -0.223022 26O 3px 0.450808 0.049743 -0.393733 -0.111950 0.142846 -0.496852 26O 3py 0.348666 -0.037842 -0.263503 -0.136538 -0.048756 -0.383728 26O 1dz2 -0.007014 -0.018395 0.008783 -0.003532 0.015573 0.028774 26O 1dxz -0.021630 0.023767 -0.014012 -0.005510 -0.017259 -0.006109 26O 1dyz -0.015388 0.018198 0.008195 0.014338 0.006003 0.024413 26O 1dx2y2 -0.000581 0.011574 -0.008157 0.002345 0.008252 -0.006384 26O 1dxy -0.021225 0.023986 -0.012964 -0.002294 -0.002941 -0.000140 26O 2dz2 0.098487 0.056365 -0.151628 -0.040951 -0.033698 -0.166749 26O 2dxz 0.018304 -0.071192 0.074441 0.035873 0.090660 0.027882 26O 2dyz -0.000258 -0.036112 0.050858 0.020103 0.050345 0.022793 26O 2dx2y2 -0.170067 -0.049749 0.187333 0.019948 0.015984 0.235089 26O 2dxy -0.113601 -0.126002 0.213573 0.061012 0.109505 0.224661 26O 1f0 0.003210 0.011528 -0.019862 -0.013792 -0.033638 -0.022148 26O 1f+1 -0.000707 0.022144 -0.004171 0.015748 0.018939 -0.020507 26O 1f-1 -0.024429 0.016666 -0.004027 -0.033154 -0.046162 -0.006696 26O 1f+2 0.038334 -0.043314 0.012441 -0.010157 0.006475 0.018970 26O 1f-2 -0.014507 0.014128 0.029191 0.046831 0.049957 0.017109 26O 1f+3 0.023144 -0.013104 -0.003757 0.000838 0.011459 -0.004878 26O 1f-3 0.027247 0.003172 -0.036085 -0.028586 -0.033101 -0.035464 27O 1s -0.012590 0.003067 0.010960 -0.008668 0.001442 -0.000833 27O 2s -0.047469 0.005299 0.044480 -0.030208 0.005476 -0.003462 27O 3s 0.524900 0.064284 -0.573971 0.291034 -0.060583 0.074220 27O 4s -1.301649 -0.410002 1.560519 -0.649601 0.162661 -0.155684 27O 5s -1.157320 -0.478666 0.815523 0.076891 -0.348646 -0.390146 27O 1pz 0.009406 -0.007725 0.003777 -0.011046 0.041858 -0.004448 27O 1px -0.174601 0.000341 0.145820 -0.068980 0.041049 -0.067539 27O 1py 0.044227 -0.001832 -0.057523 0.041837 -0.041869 0.040563 27O 2pz -0.074912 0.033487 0.022426 0.063153 -0.190643 0.003071 27O 2px 0.900067 0.348352 -0.971676 0.250729 -0.111139 0.370230 27O 2py -0.164931 -0.108998 0.291266 -0.185853 0.193370 -0.165019 27O 3pz -0.032978 -0.162369 -0.143073 0.222671 0.036940 0.063459 27O 3px 0.665090 0.048608 -0.512854 0.242388 0.278109 0.213453 27O 3py -0.214554 0.131650 0.266266 -0.294299 0.006264 -0.181539 27O 1dz2 0.002266 -0.025718 0.000963 0.013758 0.007834 0.000341 27O 1dxz -0.012051 0.010872 -0.002371 0.004459 -0.011889 -0.000834 27O 1dyz 0.018633 -0.005961 -0.016680 0.010660 -0.008033 0.033730 27O 1dx2y2 0.001127 0.016808 -0.018974 0.002787 0.003497 0.012282 27O 1dxy 0.023372 -0.032254 0.013408 0.002130 0.007933 0.005638 27O 2dz2 0.149455 0.070625 -0.199348 0.055959 -0.017369 0.081109 27O 2dxz 0.070225 -0.028055 -0.021316 -0.017624 0.069705 0.055574 27O 2dyz 0.015684 0.006494 -0.011231 0.000312 -0.015448 0.002149 27O 2dx2y2 -0.246939 -0.093104 0.278448 -0.073032 0.008678 -0.129312 27O 2dxy 0.067351 0.116817 -0.163318 0.054075 -0.079066 0.053100 27O 1f0 -0.001770 0.007867 -0.005165 -0.017111 0.002789 0.004662 27O 1f+1 0.024989 -0.003631 -0.032218 0.025739 -0.012401 0.012791 27O 1f-1 0.001919 -0.015993 0.019168 -0.017843 0.031656 -0.009383 27O 1f+2 0.031864 -0.020684 0.003220 -0.026163 0.037103 -0.003745 27O 1f-2 0.019764 -0.041454 -0.010629 0.057467 -0.035607 -0.021432 27O 1f+3 0.007019 0.015577 -0.003451 0.006025 -0.000355 -0.000833 27O 1f-3 -0.001796 -0.020255 0.045648 -0.034255 0.032332 -0.031092 28O 1s -0.009674 0.007713 0.015955 0.017273 0.024583 0.011674 28O 2s -0.039903 0.031870 0.067936 0.073258 0.101810 0.052836 28O 3s 0.469580 -0.359374 -0.915484 -0.954909 -1.305289 -0.778142 28O 4s -1.167301 0.911982 2.759455 2.834709 3.874120 2.453390 28O 5s -0.294529 0.266984 1.328208 2.127589 2.846964 1.435525 28O 1pz -0.134492 0.102665 0.166633 0.237721 0.269616 0.201138 28O 1px 0.104802 -0.086167 -0.176542 -0.249691 -0.302979 -0.186668 28O 1py -0.035609 0.038801 0.029002 0.060674 0.043541 0.046462 28O 2pz 0.654215 -0.491843 -1.137253 -1.396569 -1.722894 -1.303970 28O 2px -0.494348 0.371217 1.320528 1.546691 2.005770 1.364939 28O 2py 0.180348 -0.189480 -0.168419 -0.309990 -0.264491 -0.256967 28O 3pz 0.192537 -0.290619 -0.588655 -0.426805 -0.834051 -0.629864 28O 3px -0.083058 0.188314 0.575208 0.776483 1.222338 0.605554 28O 3py 0.184794 -0.173227 -0.189988 0.124328 -0.086024 -0.128968 28O 1dz2 0.012918 -0.008273 -0.008430 -0.002695 0.012913 -0.011678 28O 1dxz -0.020426 0.009868 0.035085 0.013929 0.025831 0.041072 28O 1dyz 0.008472 -0.013279 -0.006575 0.001931 0.004402 0.009403 28O 1dx2y2 -0.010831 0.007310 -0.010022 -0.021425 -0.017522 -0.017851 28O 1dxy -0.009591 -0.001860 0.008366 0.005557 -0.000458 0.020972 28O 2dz2 -0.148211 0.107951 0.076301 0.092498 0.083048 0.089011 28O 2dxz 0.260472 -0.197738 -0.498812 -0.559253 -0.709078 -0.551188 28O 2dyz -0.109132 0.086350 0.076592 0.115226 0.099571 0.076339 28O 2dx2y2 -0.073700 0.048570 0.297613 0.309866 0.441537 0.316459 28O 2dxy 0.099551 -0.113454 -0.073314 -0.091252 -0.088027 -0.068428 28O 1f0 -0.018284 0.006284 -0.004217 -0.020892 -0.040745 0.000842 28O 1f+1 0.073004 -0.048546 -0.035094 -0.021830 -0.016303 -0.058706 28O 1f-1 -0.024890 0.007863 0.032842 0.021537 0.012037 0.024984 28O 1f+2 -0.026960 0.031266 0.031216 0.051355 0.061001 0.040647 28O 1f-2 0.053076 -0.046670 -0.015922 -0.020112 -0.017019 -0.019486 28O 1f+3 -0.006583 0.009255 0.019799 0.026571 0.046929 0.015784 28O 1f-3 0.009390 -0.006753 -0.000242 0.001249 0.014526 -0.016477 29O 1s -0.003897 0.001393 -0.003853 -0.001377 -0.002645 0.000256 29O 2s -0.013426 0.004797 -0.012257 -0.005073 -0.009474 0.001132 29O 3s 0.124910 -0.041904 0.093381 0.054675 0.101336 -0.015498 29O 4s -0.311105 0.089624 -0.105905 -0.134583 -0.313637 0.065849 29O 5s 0.511902 -0.150785 -0.108771 0.121491 0.606915 -0.176438 29O 1pz 0.020232 -0.011182 0.028770 -0.012245 -0.017315 0.006332 29O 1px -0.011007 0.013582 -0.063924 -0.007320 0.001972 -0.011180 29O 1py 0.003264 0.000234 -0.006737 -0.014581 0.009199 0.004335 29O 2pz -0.066112 0.037623 -0.079655 0.024163 0.064316 0.034748 29O 2px 0.029601 -0.031756 0.146585 0.010237 -0.002476 0.041716 29O 2py -0.004143 0.001035 0.012713 0.050251 -0.010311 -0.017903 29O 3pz 0.080845 0.017924 0.007223 -0.058356 0.036940 0.093612 29O 3px -0.170425 0.060197 0.000012 -0.051608 -0.221673 0.061820 29O 3py -0.031212 0.003297 -0.011946 -0.041146 0.019620 0.036526 29O 1dz2 -0.000135 0.004268 0.002876 -0.004701 -0.000629 0.003115 29O 1dxz 0.000268 -0.008390 0.006234 0.001754 0.000923 -0.001935 29O 1dyz -0.001632 -0.007617 -0.000450 -0.004109 0.006143 0.000406 29O 1dx2y2 0.001308 -0.002135 -0.010530 -0.000648 0.000246 -0.001440 29O 1dxy -0.002222 0.002519 -0.004819 0.000763 -0.003946 -0.004115 29O 2dz2 0.002286 -0.009389 0.016594 -0.016187 -0.017791 -0.009153 29O 2dxz -0.004306 -0.005194 0.015760 -0.003287 -0.009151 0.015355 29O 2dyz 0.013440 -0.021334 0.013119 0.000565 -0.011397 -0.033586 29O 2dx2y2 0.002718 0.007924 -0.024852 0.003152 0.012801 -0.002040 29O 2dxy 0.001403 0.002952 -0.015260 0.001021 -0.002207 -0.018013 29O 1f0 -0.004900 0.000533 -0.004669 -0.000537 0.001410 -0.003142 29O 1f+1 0.004216 0.002627 0.003885 0.002333 -0.002809 -0.012130 29O 1f-1 0.004946 -0.004429 0.006524 -0.007559 -0.002633 0.002417 29O 1f+2 0.002632 -0.012261 0.011552 0.003139 0.012027 0.004855 29O 1f-2 -0.001430 -0.001494 0.004223 -0.001828 0.005942 0.004998 29O 1f+3 0.008859 -0.007394 0.024652 -0.000265 0.005031 0.001465 29O 1f-3 0.001891 -0.003772 -0.000388 -0.004358 0.000718 0.005670 30O 1s -0.007945 0.009361 0.018598 -0.021630 0.018091 -0.008289 30O 2s -0.034036 0.039166 0.079891 -0.091347 0.073347 -0.039343 30O 3s 0.435132 -0.461163 -1.085549 1.178452 -0.905329 0.611834 30O 4s -1.139255 1.231379 3.267788 -3.467561 2.650853 -1.971843 30O 5s -0.589592 0.284137 1.712909 -2.390589 1.904894 -1.379877 30O 1pz -0.102366 0.099216 0.155623 -0.223213 0.135568 -0.122064 30O 1px 0.079405 -0.083905 -0.203917 0.261272 -0.189873 0.144858 30O 1py 0.105786 -0.104902 -0.180970 0.250109 -0.132381 0.139861 30O 2pz 0.532770 -0.495107 -1.065244 1.303421 -0.866153 0.821725 30O 2px -0.454611 0.418137 1.487730 -1.631774 1.211750 -1.080042 30O 2py -0.565156 0.540025 1.175115 -1.438209 0.864263 -0.917619 30O 3pz 0.164448 -0.225419 -0.541835 0.432071 -0.429549 0.426943 30O 3px -0.113170 0.158543 0.624685 -0.866493 0.791574 -0.497960 30O 3py -0.294491 0.341534 0.627147 -0.304446 0.538522 -0.394677 30O 1dz2 0.002151 0.003259 0.004371 0.001056 0.008990 0.003227 30O 1dxz -0.013680 0.009346 0.029891 -0.013025 0.019039 -0.020612 30O 1dyz -0.007313 0.016769 0.020079 -0.014326 -0.002307 -0.009618 30O 1dx2y2 -0.019065 0.012601 0.003712 0.011267 -0.011345 0.004794 30O 1dxy 0.020363 -0.004113 -0.033679 0.019492 0.001175 0.042292 30O 2dz2 -0.000129 0.015785 -0.119845 0.095336 -0.076703 0.095891 30O 2dxz 0.178463 -0.158823 -0.425123 0.470422 -0.322841 0.336662 30O 2dyz 0.225332 -0.198745 -0.338700 0.409924 -0.236859 0.240918 30O 2dx2y2 0.055413 -0.069969 0.132913 -0.091982 0.135686 -0.117994 30O 2dxy -0.201505 0.201000 0.464354 -0.485179 0.334250 -0.340215 30O 1f0 0.030583 -0.026980 -0.055343 0.049084 -0.028441 0.036330 30O 1f+1 0.011451 -0.006797 0.000348 -0.001404 0.009267 0.008587 30O 1f-1 0.011418 -0.016019 -0.007734 0.029699 -0.014657 -0.003204 30O 1f+2 0.025799 -0.008257 -0.012588 -0.012604 0.024189 0.004011 30O 1f-2 -0.063417 0.065293 0.052549 -0.068860 0.042957 -0.036546 30O 1f+3 0.051141 -0.037716 -0.016302 0.003294 0.029814 0.029767 30O 1f-3 0.013417 -0.000425 0.018836 -0.028155 0.026701 -0.024864 31O 1s 0.007632 0.009816 0.018514 0.021297 -0.018819 -0.006298 31O 2s 0.032662 0.041054 0.079539 0.089860 -0.076970 -0.031199 31O 3s -0.418293 -0.484401 -1.081154 -1.157996 0.965455 0.509859 31O 4s 1.094117 1.294464 3.255920 3.405875 -2.849813 -1.671560 31O 5s 0.565757 0.320328 1.701743 2.347759 -2.042098 -1.150448 31O 1pz -0.098320 -0.103582 -0.155369 -0.219253 0.147550 0.106799 31O 1px 0.076038 0.088784 0.202965 0.257029 -0.204499 -0.123017 31O 1py 0.101697 0.109508 0.180492 0.246006 -0.146275 -0.125121 31O 2pz 0.512037 0.519004 1.062498 1.278940 -0.949735 -0.722382 31O 2px -0.437387 -0.445914 -1.481706 -1.602812 1.325234 0.938934 31O 2py -0.543500 -0.565419 -1.171239 -1.411955 0.957792 0.818423 31O 3pz 0.158363 0.235439 0.538623 0.424064 -0.474477 -0.378570 31O 3px -0.104692 -0.170652 -0.620354 -0.851687 0.840057 0.404559 31O 3py -0.286090 -0.357043 -0.623766 -0.297477 0.578733 0.334773 31O 1dz2 -0.002553 0.003315 0.004196 -0.001107 -0.008641 0.004422 31O 1dxz 0.013403 0.009971 0.029767 0.012650 -0.021408 -0.018316 31O 1dyz 0.006544 0.016995 0.020057 0.013639 0.001164 -0.009776 31O 1dx2y2 0.018576 0.012915 0.003707 -0.011212 0.011801 0.003489 31O 1dxy -0.020113 -0.004523 -0.033569 -0.018785 0.003888 0.042161 31O 2dz2 -0.000947 0.014475 -0.119122 -0.094163 0.087857 0.086420 31O 2dxz -0.171618 -0.167352 -0.423694 -0.461145 0.357908 0.299277 31O 2dyz -0.216819 -0.207402 -0.337383 -0.401715 0.260686 0.213411 31O 2dx2y2 -0.052283 -0.069555 0.132509 0.090894 -0.149517 -0.102245 31O 2dxy 0.193614 0.210836 0.462310 0.475807 -0.369371 -0.301191 31O 1f0 0.029309 0.028161 0.055092 0.048044 -0.032348 -0.032965 31O 1f+1 0.011049 0.006997 -0.000185 -0.001727 0.008176 -0.009535 31O 1f-1 0.011416 0.016715 0.007993 0.029120 -0.013285 0.004047 31O 1f+2 0.025834 0.008754 0.012762 -0.012713 0.023571 -0.006699 31O 1f-2 -0.060881 -0.067494 -0.052212 -0.067074 0.045784 0.031991 31O 1f+3 0.049451 0.038614 0.016087 0.002827 0.026265 -0.032907 31O 1f-3 0.013259 0.000096 -0.018618 -0.027771 0.029453 0.021514 32O 1s 0.003891 0.001434 -0.003845 0.001465 0.002623 -0.000008 32O 2s 0.013393 0.004940 -0.012224 0.005357 0.009432 0.000160 32O 3s -0.124282 -0.043246 0.092764 -0.056814 -0.101714 -0.004384 32O 4s 0.310748 0.092153 -0.103594 0.138937 0.317231 0.030370 32O 5s -0.521302 -0.150885 -0.111134 -0.133173 -0.615530 -0.113787 32O 1pz 0.020050 0.011858 -0.028835 -0.012184 -0.017879 -0.004557 32O 1px -0.010255 -0.013902 0.064090 -0.007431 0.003402 0.011039 32O 1py 0.003685 -0.000205 0.006728 -0.014965 0.008345 -0.005426 32O 2pz -0.066509 -0.039750 0.080154 0.023037 0.059651 -0.041090 32O 2px 0.028698 0.032298 -0.147565 0.011131 -0.008670 -0.040174 32O 2py -0.006334 -0.001208 -0.011813 0.050286 -0.006436 0.016787 32O 3pz 0.081108 -0.016560 -0.007619 -0.059780 0.024847 -0.097192 32O 3px -0.170430 -0.061126 -0.001864 -0.052424 -0.226353 -0.034741 32O 3py -0.034581 -0.003275 0.013387 -0.046989 0.017018 -0.044517 32O 1dz2 -0.000043 0.004504 0.002897 0.005014 0.001343 0.003279 32O 1dxz -0.000282 -0.008327 0.006290 -0.001870 -0.001073 -0.001659 32O 1dyz 0.001939 -0.007517 -0.000575 0.004037 -0.006204 0.001095 32O 1dx2y2 -0.001418 -0.002064 -0.010368 0.000895 -0.000219 -0.001173 32O 1dxy 0.001840 0.002609 -0.004827 -0.000998 0.003593 -0.004597 32O 2dz2 -0.002137 -0.008675 0.016589 0.016180 0.016673 -0.009709 32O 2dxz 0.004320 -0.004834 0.015998 0.002928 0.010917 0.014309 32O 2dyz -0.013564 -0.021991 0.013436 -0.000581 0.007668 -0.034521 32O 2dx2y2 -0.002634 0.008307 -0.025167 -0.002640 -0.013175 0.000555 32O 2dxy -0.001352 0.003021 -0.015566 -0.000849 -0.000250 -0.017193 32O 1f0 -0.005124 -0.000789 0.005239 0.000135 0.002286 0.003364 32O 1f+1 0.004562 -0.002499 -0.003631 0.002256 -0.001411 0.012239 32O 1f-1 0.004689 0.004859 -0.006782 -0.007741 -0.002384 -0.002311 32O 1f+2 0.002009 0.011982 -0.010899 0.003410 0.011557 -0.006232 32O 1f-2 -0.001786 0.001389 -0.003757 -0.001641 0.005471 -0.005000 32O 1f+3 0.008178 0.007679 -0.024521 0.000131 0.005717 -0.002121 32O 1f-3 0.001820 0.004016 -0.000171 -0.004332 -0.000083 -0.005333 33O 1s 0.009471 0.008285 0.015657 -0.017179 -0.023024 0.014484 33O 2s 0.039040 0.034224 0.066696 -0.072772 -0.094960 0.064396 33O 3s -0.458425 -0.388069 -0.899902 0.947624 1.208765 -0.925383 33O 4s 1.130888 0.989181 2.714430 -2.812966 -3.577314 2.890586 33O 5s 0.284506 0.312244 1.292712 -2.104653 -2.674482 1.757790 33O 1pz -0.132213 -0.109977 -0.162924 0.235022 0.244339 -0.230863 33O 1px 0.102149 0.092937 0.172824 -0.247637 -0.280131 0.220896 33O 1py -0.035031 -0.039868 -0.028880 0.060188 0.037996 -0.051981 33O 2pz 0.639794 0.530772 1.114859 -1.380281 -1.564191 1.494248 33O 2px -0.476720 -0.409139 -1.297675 1.534424 1.845463 -1.591314 33O 2py 0.178254 0.196074 0.167634 -0.307172 -0.234608 0.289961 33O 3pz 0.182827 0.307684 0.579611 -0.422982 -0.757289 0.726110 33O 3px -0.075048 -0.206269 -0.561413 0.769619 1.148468 -0.744564 33O 3py 0.178827 0.181007 0.190590 0.120394 -0.071694 0.138646 33O 1dz2 -0.013074 -0.008390 -0.008439 0.002358 -0.013853 -0.009940 33O 1dxz 0.020089 0.010667 0.034851 -0.013604 -0.021500 0.043550 33O 1dyz -0.008267 -0.013419 -0.006594 -0.002181 -0.003251 0.010001 33O 1dx2y2 0.010909 0.007367 -0.009784 0.021104 0.015628 -0.019883 33O 1dxy 0.010226 -0.001559 0.008554 -0.005171 0.002888 0.020989 33O 2dz2 0.148352 0.112849 0.073845 -0.089244 -0.070890 0.095799 33O 2dxz -0.255076 -0.213890 -0.489900 0.552704 0.643184 -0.629653 33O 2dyz 0.109704 0.090115 0.076178 -0.113595 -0.090297 0.088171 33O 2dx2y2 0.069027 0.056022 0.292883 -0.308180 -0.404888 0.366313 33O 2dxy -0.098268 -0.116727 -0.073271 0.090374 0.080157 -0.079447 33O 1f0 -0.018112 -0.005838 0.004163 -0.020838 -0.040097 0.004601 33O 1f+1 0.073179 0.050784 0.034586 -0.020872 -0.009293 0.059650 33O 1f-1 -0.025609 -0.008745 -0.032812 0.020892 0.008907 -0.026344 33O 1f+2 -0.026365 -0.032810 -0.030171 0.050507 0.055936 -0.047147 33O 1f-2 0.053564 0.048280 0.016082 -0.019174 -0.013451 0.022066 33O 1f+3 -0.005305 -0.009668 -0.019089 0.026662 0.044821 -0.020947 33O 1f-3 0.009672 0.006772 0.000614 0.001533 0.015877 0.014634 34O 1s 0.012657 0.003374 0.011044 0.008589 -0.001412 -0.000880 34O 2s 0.048058 0.006427 0.044829 0.029994 -0.005436 -0.003699 34O 3s -0.537731 0.052453 -0.578321 -0.290095 0.065370 0.077506 34O 4s 1.348707 -0.382216 1.572845 0.652926 -0.172156 -0.165346 34O 5s 1.182421 -0.462156 0.827692 -0.084602 0.308636 -0.444363 34O 1pz 0.008653 0.007291 -0.003689 -0.011151 0.042074 -0.000001 34O 1px -0.177496 -0.004385 -0.146835 -0.067873 0.046776 0.065871 34O 1py 0.044921 0.002900 0.057599 0.041335 -0.046086 -0.036500 34O 2pz -0.072390 -0.032213 -0.022845 0.063472 -0.189132 0.017613 34O 2px 0.932219 -0.329912 0.979221 0.250322 -0.147581 -0.374278 34O 2py -0.174016 0.104941 -0.292773 -0.185429 0.210429 0.147222 34O 3pz -0.037825 0.161171 0.141856 0.222697 0.028980 -0.066789 34O 3px 0.676297 -0.038016 0.519263 0.241724 0.254291 -0.252691 34O 3py -0.215439 -0.137922 -0.267146 -0.293759 0.025991 0.180813 34O 1dz2 -0.001109 -0.025705 0.001005 -0.013442 -0.007815 0.001339 34O 1dxz 0.011687 0.011007 -0.002363 -0.004411 0.011782 -0.002050 34O 1dyz -0.018222 -0.006519 -0.016595 -0.010093 0.011907 0.032553 34O 1dx2y2 -0.002043 0.016952 -0.019157 -0.002932 -0.001855 0.012819 34O 1dxy -0.021703 -0.032750 0.013432 -0.001456 -0.007742 0.006472 34O 2dz2 -0.155492 0.067610 -0.200611 -0.055896 0.026290 0.082045 34O 2dxz -0.068646 -0.028673 -0.021376 0.018441 -0.062701 0.062649 34O 2dyz -0.015673 0.005804 -0.011237 0.000223 0.015520 0.000814 34O 2dx2y2 0.255653 -0.088009 0.280386 0.072653 -0.022372 -0.132200 34O 2dxy -0.074472 0.115068 -0.164387 -0.054586 0.084845 0.046593 34O 1f0 -0.001531 -0.007833 0.005060 -0.017247 0.002167 -0.004820 34O 1f+1 0.025534 0.004410 0.032272 0.025786 -0.013521 -0.011771 34O 1f-1 0.000857 0.015189 -0.019139 -0.017905 0.032500 0.005876 34O 1f+2 0.030876 0.021153 -0.003368 -0.026110 0.037260 -0.000150 34O 1f-2 0.018170 0.042560 0.010546 0.056745 -0.031871 0.024862 34O 1f+3 0.008030 -0.015613 0.003994 0.005773 0.000178 0.000084 34O 1f-3 -0.002913 0.019962 -0.045657 -0.034199 0.035930 0.027556 35O 1s 0.012902 0.003165 0.010313 -0.006411 -0.002958 0.007862 35O 2s 0.047092 0.006004 0.041976 -0.022361 -0.010606 0.032187 35O 3s -0.484089 0.052025 -0.538067 0.219183 0.116049 -0.432093 35O 4s 1.155717 -0.353106 1.464315 -0.497933 -0.268874 1.170867 35O 5s 0.779892 -0.412643 0.739068 0.090385 0.372008 0.956905 35O 1pz -0.023566 0.000302 -0.032292 0.018138 0.058446 -0.048745 35O 1px -0.156145 -0.002998 -0.119401 0.030972 0.027151 -0.158816 35O 1py -0.053253 0.005883 -0.059942 0.033993 0.048201 -0.087600 35O 2pz 0.052992 -0.071592 0.138916 -0.106183 -0.268079 0.213417 35O 2px 0.712938 -0.288288 0.809467 -0.124645 -0.075838 0.932261 35O 2py 0.227591 -0.169254 0.377245 -0.159309 -0.197932 0.465363 35O 3pz 0.114046 0.178522 0.219644 -0.297736 -0.062852 0.230945 35O 3px 0.467842 -0.038223 0.399729 -0.109493 0.206280 0.483481 35O 3py 0.355469 0.046514 0.264187 -0.134963 -0.003234 0.386325 35O 1dz2 0.007443 -0.017982 0.008771 0.003731 -0.012231 0.030353 35O 1dxz 0.021654 0.023931 -0.013776 0.005948 0.016793 -0.008196 35O 1dyz 0.014907 0.018663 0.008183 -0.014027 -0.003330 0.024954 35O 1dx2y2 0.000038 0.011539 -0.008308 -0.002043 -0.008921 -0.005498 35O 1dxy 0.021070 0.024612 -0.013146 0.002831 0.002844 -0.000875 35O 2dz2 -0.104176 0.052929 -0.153047 0.041293 0.011412 -0.172135 35O 2dxz -0.018224 -0.070118 0.073806 -0.037936 -0.085670 0.039393 35O 2dyz 0.000690 -0.035017 0.050767 -0.020760 -0.046775 0.029708 35O 2dx2y2 0.176726 -0.044213 0.188462 -0.019713 0.013846 0.236870 35O 2dxy 0.121754 -0.120814 0.215416 -0.061547 -0.078543 0.240537 35O 1f0 0.002658 -0.011441 0.019485 -0.013925 -0.030946 0.025955 35O 1f+1 0.000306 -0.022417 0.004871 0.015796 0.021410 0.018779 35O 1f-1 -0.024610 -0.016724 0.003964 -0.033387 -0.044596 0.012692 35O 1f+2 0.038764 0.043936 -0.012338 -0.009216 0.005306 -0.019378 35O 1f-2 -0.014816 -0.015623 -0.028430 0.046850 0.047035 -0.022985 35O 1f+3 0.023321 0.013748 0.003527 0.000651 0.011955 0.003001 35O 1f-3 0.028141 -0.002115 0.035944 -0.028423 -0.027839 0.039622 606 607 608 609 610 611 4.57375 4.59261 4.61607 4.63403 4.76333 4.76524 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s -0.000337 -0.000048 -0.007572 0.001522 -0.001024 0.000775 0Rh 2s 0.003691 0.000614 0.065129 -0.013124 0.008909 -0.006966 0Rh 3s 0.000187 0.000078 -0.006477 0.001286 -0.000828 0.000497 0Rh 4s -0.021137 -0.003527 -0.376125 0.075877 -0.051828 0.040471 0Rh 5s 0.054488 0.009629 0.915556 -0.185353 0.128180 -0.100747 0Rh 6s -0.075577 -0.016359 -0.977804 0.200781 -0.140966 0.114413 0Rh 7s -0.051719 0.005547 2.014036 -0.441046 0.319136 -0.287933 0Rh 8s 0.164182 0.038442 0.176531 -0.056573 -0.039480 -0.045358 0Rh 1pz 0.002899 0.000477 0.004247 -0.002294 -0.016579 0.014649 0Rh 1px -0.002018 -0.000081 0.003353 0.000553 -0.002204 0.008212 0Rh 1py 0.000627 0.000817 -0.001747 -0.004664 -0.016870 -0.016564 0Rh 2pz -0.011442 -0.001828 -0.017008 0.009196 0.067042 -0.059327 0Rh 2px 0.008165 0.000355 -0.013844 -0.002141 0.008885 -0.033172 0Rh 2py -0.002573 -0.003113 0.006957 0.018810 0.068268 0.066975 0Rh 3pz 0.025816 0.002629 0.044613 -0.024176 -0.188821 0.169122 0Rh 3px -0.023404 -0.001556 0.045268 0.004104 -0.024389 0.092729 0Rh 3py 0.008285 0.004245 -0.017318 -0.052017 -0.193483 -0.188509 0Rh 4pz 0.000943 0.008750 -0.033699 0.017431 0.193705 -0.181471 0Rh 4px 0.025813 0.003389 -0.069190 0.001989 0.022493 -0.092852 0Rh 4py -0.013280 0.015097 0.008887 0.048771 0.203267 0.192614 0Rh 5pz -0.079946 -0.037315 -0.022106 0.015189 -0.076364 0.092202 0Rh 5px -0.002512 -0.002411 0.097196 -0.015482 -0.000095 0.031001 0Rh 5py 0.020967 -0.058209 0.021462 -0.005294 -0.091345 -0.072075 0Rh 6pz 0.221528 0.087749 0.628118 -0.171709 0.296069 -0.381846 0Rh 6px -0.206151 -0.040271 -1.898340 0.361605 -0.209387 0.066949 0Rh 6py -0.095241 0.072118 -0.379848 0.032826 0.250602 0.231700 0Rh 1dz2 -0.009266 -0.002645 -0.002714 0.015015 -0.004609 0.005166 0Rh 1dxz -0.006045 -0.004017 -0.014258 0.003653 0.004573 -0.004884 0Rh 1dyz -0.002374 -0.005666 0.008820 0.034462 -0.005025 -0.003531 0Rh 1dx2y2 0.015072 0.001754 0.019386 -0.000095 -0.000426 -0.006775 0Rh 1dxy 0.001539 0.000800 0.009923 0.012249 0.005476 0.002527 0Rh 2dz2 -0.001673 0.000177 0.000151 0.000332 -0.001038 0.000944 0Rh 2dxz 0.000927 0.000311 -0.000832 0.000460 0.001400 -0.000982 0Rh 2dyz -0.000747 0.001262 0.000226 0.001084 -0.000617 -0.000711 0Rh 2dx2y2 0.001376 0.000005 0.000396 -0.000236 -0.000032 -0.001310 0Rh 2dxy -0.000745 0.001927 0.000450 0.000849 0.001462 0.001250 0Rh 3dz2 0.046657 0.010105 0.010771 -0.065447 0.025030 -0.026918 0Rh 3dxz 0.020803 0.015418 0.064453 -0.017768 -0.026584 0.025846 0Rh 3dyz 0.013626 0.017570 -0.038417 -0.151678 0.024831 0.018769 0Rh 3dx2y2 -0.069339 -0.007354 -0.083994 0.001522 0.001989 0.035722 0Rh 3dxy -0.002779 -0.012524 -0.044310 -0.056180 -0.030757 -0.016960 0Rh 4dz2 -0.083051 -0.013887 -0.015294 0.112954 -0.051988 0.052085 0Rh 4dxz -0.023581 -0.021544 -0.111894 0.033167 0.056177 -0.049952 0Rh 4dyz -0.026941 -0.018602 0.065658 0.263612 -0.049526 -0.038952 0Rh 4dx2y2 0.114082 0.010348 0.139279 -0.003789 -0.003607 -0.071711 0Rh 4dxy -0.002709 0.032587 0.077719 0.102214 0.062108 0.037939 0Rh 5dz2 0.075591 0.067337 -0.018399 -0.300695 0.130605 -0.061431 0Rh 5dxz 0.021598 0.021802 0.186233 -0.056901 -0.102436 0.056468 0Rh 5dyz -0.007006 0.152233 -0.182087 -0.708723 0.165457 0.118947 0Rh 5dx2y2 -0.130731 0.016063 -0.215688 -0.026053 0.009671 0.141255 0Rh 5dxy 0.001680 0.013329 -0.170399 -0.292092 -0.067054 -0.051029 0Rh 1f0 -0.002717 0.007645 0.005043 -0.005479 0.002076 0.008860 0Rh 1f+1 -0.007170 -0.011955 -0.000195 0.009125 -0.005837 0.001946 0Rh 1f-1 -0.001907 0.013368 -0.003756 -0.008466 0.014618 -0.000798 0Rh 1f+2 -0.010215 0.006733 -0.010166 -0.001285 0.000648 0.014772 0Rh 1f-2 0.008462 -0.019803 0.000016 0.014108 0.003021 0.000024 0Rh 1f+3 -0.010065 0.002062 -0.007656 0.002633 0.000158 -0.000366 0Rh 1f-3 -0.009527 0.004554 -0.008189 -0.008765 -0.002569 -0.001044 1Rh 1s -0.000063 0.000075 0.007609 -0.001515 0.001040 -0.000808 1Rh 2s 0.001348 -0.000447 -0.065444 0.013078 -0.009048 0.007246 1Rh 3s 0.000425 0.000181 0.006509 -0.001271 0.000840 -0.000528 1Rh 4s -0.007643 0.002594 0.377945 -0.075606 0.052637 -0.042101 1Rh 5s 0.021858 -0.005231 -0.919972 0.184744 -0.130175 0.104727 1Rh 6s -0.041352 -0.000628 0.982404 -0.200407 0.143097 -0.118473 1Rh 7s -0.120056 -0.024073 -2.013987 0.437205 -0.321048 0.290719 1Rh 8s 0.158321 0.037827 -0.180385 0.061715 0.038055 0.047321 1Rh 1pz -0.002906 -0.000454 0.004338 -0.002358 -0.016539 0.014606 1Rh 1px 0.002301 0.000181 0.003277 0.000532 -0.002182 0.008172 1Rh 1py -0.000591 -0.000681 -0.001757 -0.004733 -0.016799 -0.016512 1Rh 2pz 0.011477 0.001735 -0.017366 0.009451 0.066880 -0.059154 1Rh 2px -0.009319 -0.000757 -0.013542 -0.002055 0.008792 -0.033008 1Rh 2py 0.002427 0.002566 0.006997 0.019083 0.067984 0.066767 1Rh 3pz -0.025963 -0.002398 0.045412 -0.024780 -0.188409 0.168697 1Rh 3px 0.026874 0.002700 0.044529 0.003855 -0.024096 0.092208 1Rh 3py -0.007839 -0.002712 -0.017390 -0.052605 -0.192733 -0.187985 1Rh 4pz -0.000687 -0.008894 -0.033684 0.017553 0.193462 -0.181280 1Rh 4px -0.030321 -0.004644 -0.068807 0.002314 0.022074 -0.092097 1Rh 4py 0.012690 -0.016696 0.008806 0.048628 0.202710 0.192312 1Rh 5pz 0.079556 0.037117 -0.024307 0.016664 -0.076761 0.092774 1Rh 5px 0.007535 0.003408 0.098038 -0.016194 0.000408 0.030184 1Rh 5py -0.020357 0.059129 0.021909 -0.003247 -0.091742 -0.072558 1Rh 6pz -0.201415 -0.080392 0.629845 -0.177203 0.295343 -0.383520 1Rh 6px 0.127311 0.015193 -1.902759 0.367790 -0.211376 0.068483 1Rh 6py 0.083316 -0.081709 -0.381788 0.028862 0.251767 0.231627 1Rh 1dz2 -0.009140 -0.002218 0.002783 -0.015221 0.004472 -0.005141 1Rh 1dxz -0.005514 -0.003903 0.014314 -0.003793 -0.004698 0.004900 1Rh 1dyz -0.002305 -0.004731 -0.008809 -0.034747 0.005213 0.003487 1Rh 1dx2y2 0.014478 0.001781 -0.019413 0.000361 0.000254 0.006682 1Rh 1dxy 0.001383 0.001085 -0.009979 -0.012387 -0.005497 -0.002522 1Rh 2dz2 -0.001676 0.000174 -0.000131 -0.000362 0.001054 -0.000951 1Rh 2dxz 0.000956 0.000316 0.000806 -0.000448 -0.001400 0.000977 1Rh 2dyz -0.000740 0.001293 -0.000230 -0.001108 0.000645 0.000700 1Rh 2dx2y2 0.001359 0.000010 -0.000411 0.000251 0.000028 0.001316 1Rh 2dxy -0.000745 0.001948 -0.000449 -0.000826 -0.001457 -0.001250 1Rh 3dz2 0.046143 0.008318 -0.011156 0.066456 -0.024512 0.026847 1Rh 3dxz 0.018441 0.014914 -0.064567 0.018306 0.027123 -0.025894 1Rh 3dyz 0.013300 0.013483 0.038392 0.153005 -0.025780 -0.018524 1Rh 3dx2y2 -0.066770 -0.007494 0.084187 -0.002716 -0.001225 -0.035352 1Rh 3dxy -0.002121 -0.013827 0.044540 0.056659 0.030828 0.016941 1Rh 4dz2 -0.082226 -0.010988 0.016034 -0.114788 0.051272 -0.052062 1Rh 4dxz -0.019691 -0.020741 0.111899 -0.033928 -0.057069 0.049963 1Rh 4dyz -0.026379 -0.011671 -0.065656 -0.265977 0.051347 0.038422 1Rh 4dx2y2 0.109922 0.010659 -0.139704 0.005757 0.002296 0.071175 1Rh 4dxy -0.003769 0.034931 -0.078075 -0.102878 -0.062189 -0.037903 1Rh 5dz2 0.074175 0.060235 0.017546 0.304127 -0.130373 0.062059 1Rh 5dxz 0.017064 0.021416 -0.186674 0.057871 0.103166 -0.055869 1Rh 5dyz -0.007284 0.134448 0.182363 0.714508 -0.168086 -0.117372 1Rh 5dx2y2 -0.125356 0.014023 0.216846 0.023903 -0.007837 -0.141162 1Rh 5dxy 0.003237 0.006331 0.170993 0.294129 0.067018 0.050850 1Rh 1f0 0.002951 -0.007543 0.005109 -0.005512 0.002067 0.008795 1Rh 1f+1 0.006972 0.011534 -0.000445 0.009256 -0.005842 0.002034 1Rh 1f-1 0.001701 -0.013257 -0.003802 -0.008724 0.014578 -0.000835 1Rh 1f+2 0.010097 -0.006665 -0.010337 -0.001509 0.000697 0.014812 1Rh 1f-2 -0.008481 0.019257 0.000059 0.014242 0.003094 0.000095 1Rh 1f+3 0.009581 -0.002212 -0.007959 0.002508 0.000146 -0.000288 1Rh 1f-3 0.009329 -0.004202 -0.008382 -0.008664 -0.002680 -0.001061 2C 1s 0.005389 0.001228 0.001519 -0.001186 0.023271 -0.005122 2C 2s 0.002571 -0.005877 0.001931 -0.000608 0.004237 -0.001189 2C 3s 0.250299 0.353420 -0.019232 0.053710 2.314649 -0.520863 2C 4s -0.275372 0.013420 0.588185 -1.266485-11.641753 2.643189 2C 5s 1.601778 2.244097 0.525460 -1.460723 4.508708 -0.768562 2C 1pz 0.005970 0.030363 -0.017229 0.043204 0.256301 -0.063284 2C 1px 0.027729 0.056603 0.012658 -0.054093 0.044599 -0.008650 2C 1py 0.007202 0.024121 -0.008283 0.014078 0.177650 -0.037875 2C 2pz 1.478919 1.996164 1.176261 -2.275392 -5.305880 1.292918 2C 2px -0.248347 -0.532448 0.070049 0.367748 -0.882192 0.197610 2C 2py 0.889104 1.156795 0.740448 -1.313333 -3.618527 0.823634 2C 3pz 0.075813 0.197129 0.035413 -0.125903 0.281316 -0.028607 2C 3px 0.062111 0.084289 -0.025841 -0.096090 0.007938 0.020639 2C 3py 0.075205 0.184569 0.021425 -0.132795 0.205704 -0.015480 2C 1dz2 0.089033 0.100338 0.069719 -0.092294 -0.220873 0.050203 2C 1dxz 0.131329 0.168995 0.044346 -0.180972 -0.103709 0.028943 2C 1dyz 0.122980 0.158505 0.107530 -0.148699 -0.332320 0.080518 2C 1dx2y2 -0.090693 -0.107585 -0.042266 0.115489 0.088381 -0.028284 2C 1dxy 0.074498 0.116724 0.034071 -0.116971 -0.068230 0.022919 2C 2dz2 0.355098 0.502451 0.305068 -0.559837 -1.176666 0.295165 2C 2dxz 0.392874 0.657430 0.202686 -0.498836 -0.646669 0.152139 2C 2dyz 0.347689 0.366635 0.364208 -0.528184 -1.737726 0.402998 2C 2dx2y2 -0.407978 -0.698106 -0.235486 0.610571 0.592600 -0.135928 2C 2dxy 0.096567 0.088929 0.063004 -0.123645 -0.329029 0.086307 2C 1f0 -0.141283 -0.173808 -0.018847 0.113069 -0.204733 0.044935 2C 1f+1 0.035287 0.081757 0.021040 -0.045552 -0.145332 0.033277 2C 1f-1 -0.013945 0.026858 0.049936 -0.119704 -0.730611 0.165072 2C 1f+2 0.256032 0.291987 0.063129 -0.176293 0.555458 -0.111626 2C 1f-2 -0.177051 -0.153618 -0.104114 0.099057 -0.554601 0.115016 2C 1f+3 0.278825 0.335384 0.130794 -0.235919 0.199140 -0.035878 2C 1f-3 0.005609 -0.004024 0.043020 0.003103 0.053723 -0.016168 3C 1s 0.002129 0.000462 0.001689 -0.000191 -0.005003 -0.023193 3C 2s -0.005209 0.005354 0.001207 -0.000239 -0.001108 -0.004180 3C 3s 0.375570 -0.208523 -0.004215 -0.072778 -0.501785 -2.314403 3C 4s -0.100035 -0.062109 0.900548 0.826207 2.517264 11.665835 3C 5s 1.752108 -1.478449 1.226497 0.636211 -0.838987 -4.442866 3C 1pz -0.000247 0.003389 -0.031835 -0.026912 -0.031637 -0.163553 3C 1px 0.048811 -0.028614 0.032150 0.029913 -0.023782 -0.095816 3C 1py -0.043809 0.030245 0.021876 0.023868 0.058005 0.254756 3C 2pz 1.429326 -0.895642 1.274320 0.818810 0.676269 3.344083 3C 2px -0.051458 -0.003519 0.182302 -0.074588 0.437532 1.952003 3C 2py -1.850889 0.989002 -1.810052 -1.126487 -1.153044 -5.304205 3C 3pz 0.089576 -0.105886 0.093102 0.026109 -0.025071 -0.210575 3C 3px 0.097383 -0.080040 0.067289 0.097721 -0.010720 -0.085649 3C 3py -0.031523 0.180447 -0.094094 -0.059817 0.029343 0.260099 3C 1dz2 -0.089603 0.051920 -0.065642 -0.045319 -0.013903 -0.076373 3C 1dxz 0.179301 -0.085552 0.129544 0.116330 0.019174 0.101379 3C 1dyz -0.112105 0.061503 -0.104100 -0.033547 -0.068385 -0.293256 3C 1dx2y2 -0.104856 0.062788 -0.096304 -0.037905 -0.046735 -0.221623 3C 1dxy -0.175248 0.101194 -0.136551 -0.102271 -0.036725 -0.197925 3C 2dz2 -0.047578 -0.000384 -0.071425 -0.055919 -0.088570 -0.323744 3C 2dxz 0.670575 -0.374793 0.470627 0.350671 0.118232 0.631308 3C 2dyz -0.215102 0.066139 -0.376956 -0.188895 -0.321990 -1.496510 3C 2dx2y2 -0.681409 0.450294 -0.591891 -0.358163 -0.261790 -1.238487 3C 2dxy -0.471065 0.300772 -0.371039 -0.200576 -0.231312 -1.073963 3C 1f0 -0.190848 0.123227 -0.167870 -0.094050 -0.056103 -0.261944 3C 1f+1 -0.142665 0.082914 -0.066171 -0.061154 0.005071 0.032024 3C 1f-1 -0.141924 0.053308 -0.115640 -0.055389 0.034156 0.138065 3C 1f+2 0.370054 -0.182708 0.151197 0.050263 -0.173410 -0.809001 3C 1f-2 0.220584 -0.106756 0.127526 0.051900 -0.127834 -0.603511 3C 1f+3 0.154376 -0.088072 0.095405 0.089588 0.072212 0.355311 3C 1f-3 0.026633 -0.008055 -0.047315 0.025664 -0.025246 -0.087079 4C 1s -0.009955 -0.022870 -0.003798 0.009012 -0.010829 0.002695 4C 2s -0.028289 -0.056882 -0.013813 0.028740 0.003317 -0.000660 4C 3s 0.134203 -0.527043 0.151831 -0.202428 -1.773761 0.488311 4C 4s -0.131186 3.624910 -0.580560 0.576573 8.891448 -2.406208 4C 5s -0.608407 -0.623331 -0.208263 0.494809 -1.487673 0.178939 4C 1pz -0.097589 -0.135501 -0.054223 0.117248 0.290486 -0.061024 4C 1px -0.038662 -0.054334 -0.068144 0.082090 0.038669 -0.009338 4C 1py -0.068176 -0.094116 -0.050959 0.098114 0.184170 -0.053087 4C 2pz 0.872062 2.549495 0.244990 -0.777316 -6.236994 1.255482 4C 2px 2.037056 2.401080 3.396754 -5.656840 0.014854 0.240287 4C 2py 1.275131 2.426205 1.394341 -2.577823 -3.677328 0.887792 4C 3pz 0.266751 0.781306 -0.044466 -0.464794 0.922987 -0.128043 4C 3px 0.071892 0.162536 0.278669 0.017478 0.108672 -0.031718 4C 3py 0.164629 0.511422 0.072928 -0.247626 0.615163 -0.060200 4C 1dz2 -0.086785 -0.183130 -0.140673 0.254309 0.185357 -0.046323 4C 1dxz 0.124600 0.012660 0.159769 -0.290037 0.140829 -0.007445 4C 1dyz 0.034467 0.054518 -0.016948 0.034202 0.360023 -0.078895 4C 1dx2y2 0.057111 0.287965 0.059200 -0.121471 -0.083653 -0.000608 4C 1dxy 0.155564 0.276861 0.161604 -0.306017 0.122463 -0.023603 4C 2dz2 -0.770635 -1.137037 -0.873854 1.554134 1.216033 -0.306295 4C 2dxz 0.057728 -0.548055 0.606320 -0.840024 1.130081 -0.153558 4C 2dyz -0.491982 -0.542698 -0.434427 0.757761 2.135217 -0.533519 4C 2dx2y2 0.617316 1.450435 0.426412 -0.894729 -0.697143 0.133317 4C 2dxy 0.380839 0.725402 0.681317 -1.146359 0.714003 -0.137770 4C 1f0 0.039317 -0.008104 0.018359 -0.081736 -0.067630 0.025597 4C 1f+1 -0.064303 -0.268853 0.012956 0.084245 -0.112025 0.036895 4C 1f-1 0.068987 0.105827 -0.001668 -0.036813 -0.663241 0.150835 4C 1f+2 -0.132912 -0.035352 -0.184820 0.336930 0.207926 -0.079573 4C 1f-2 0.077208 0.078999 0.197033 -0.240419 -0.153494 0.047912 4C 1f+3 -0.132998 -0.109921 -0.130246 0.281332 -0.180698 0.021479 4C 1f-3 -0.161224 -0.318528 -0.209827 0.387257 -0.086805 0.021397 5C 1s -0.022535 0.014268 -0.008259 -0.003751 0.002659 0.010957 5C 2s -0.056768 0.035093 -0.026362 -0.013214 -0.000202 -0.003349 5C 3s -0.400322 0.418097 0.139328 0.123826 0.440012 1.805083 5C 4s 3.079464 -2.709123 -0.275297 -0.417058 -2.191468 -9.057276 5C 5s -0.460147 0.378434 -0.374299 -0.284402 0.228231 1.453322 5C 1pz -0.073635 0.039724 -0.039315 -0.025665 -0.044631 -0.173374 5C 1px -0.070110 0.039609 -0.111756 -0.046023 -0.021731 -0.088446 5C 1py 0.145933 -0.083451 0.099120 0.067811 0.052841 0.291272 5C 2pz 1.252100 -0.946963 -0.547746 -0.255577 0.818334 3.776706 5C 2px 2.671702 -1.485296 6.358190 3.501379 0.192236 1.182150 5C 2py -2.662648 1.844327 -1.081922 -0.703863 -1.211324 -6.082878 5C 3pz 0.143725 -0.377930 0.105387 0.143000 -0.087437 -0.576926 5C 3px 0.095684 -0.233313 0.281673 -0.112241 0.014761 -0.296005 5C 3py -0.306700 0.629617 -0.299720 -0.190704 0.164022 0.903303 5C 1dz2 -0.221030 0.156893 -0.179203 -0.093475 0.031300 0.092046 5C 1dxz -0.061623 0.076359 0.123024 0.080213 -0.020979 -0.129564 5C 1dyz -0.051638 0.040409 0.155595 0.100464 0.066237 0.307954 5C 1dx2y2 0.295302 -0.212282 0.307829 0.182080 0.024909 0.167079 5C 1dxy -0.115915 0.029129 -0.315165 -0.181397 0.051233 0.238892 5C 2dz2 -0.624903 0.417714 -0.691404 -0.359933 0.130458 0.540313 5C 2dxz -0.765543 0.573099 0.245840 0.101410 -0.187345 -0.941651 5C 2dyz 0.397786 -0.130668 1.116276 0.647306 0.393001 1.721608 5C 2dx2y2 1.679230 -1.058298 1.776278 0.967345 0.224032 1.275995 5C 2dxy 0.338550 -0.228924 -1.023987 -0.527358 0.347176 1.612717 5C 1f0 -0.083406 0.066219 0.140407 0.082426 -0.095624 -0.446984 5C 1f+1 -0.227296 0.157628 -0.325319 -0.186189 0.018792 0.021339 5C 1f-1 0.009086 0.011992 0.122436 0.050530 -0.022410 -0.103465 5C 1f+2 -0.224691 0.130773 -0.241483 -0.178491 -0.080211 -0.385658 5C 1f-2 -0.030719 -0.020144 -0.425918 -0.218258 -0.060427 -0.242923 5C 1f+3 -0.227696 0.133857 -0.191148 -0.133460 0.092039 0.360554 5C 1f-3 0.114798 -0.105200 0.075512 -0.004188 -0.032163 -0.149045 6C 1s -0.022671 0.014188 0.008604 0.003918 -0.002644 -0.010913 6C 2s -0.056979 0.034800 0.027356 0.013725 0.000205 0.003394 6C 3s -0.408528 0.419481 -0.140844 -0.126615 -0.435820 -1.801520 6C 4s 3.123688 -2.711304 0.264548 0.423128 2.170509 9.038068 6C 5s -0.466254 0.365574 0.391773 0.308216 -0.233529 -1.458147 6C 1pz 0.074105 -0.038969 -0.041185 -0.026544 -0.044581 -0.173152 6C 1px 0.068476 -0.039135 -0.113579 -0.046868 -0.021665 -0.088147 6C 1py -0.145826 0.081834 0.102747 0.069525 0.052949 0.290865 6C 2pz -1.298642 0.945998 -0.523192 -0.244444 0.820710 3.777019 6C 2px -2.520626 1.420675 6.414218 3.528468 0.187575 1.169442 6C 2py 2.687287 -1.824556 -1.139389 -0.730657 -1.214283 -6.079427 6C 3pz -0.150820 0.374539 0.112073 0.163027 -0.091814 -0.573994 6C 3px -0.088500 0.238923 0.286013 -0.100260 0.012174 -0.292762 6C 3py 0.312597 -0.626297 -0.310978 -0.224412 0.171522 0.898312 6C 1dz2 -0.218799 0.154603 0.182327 0.094922 -0.030986 -0.092157 6C 1dxz -0.066440 0.077451 -0.122748 -0.080354 0.021505 0.129764 6C 1dyz -0.056680 0.042156 -0.155716 -0.100870 -0.065727 -0.307205 6C 1dx2y2 0.290909 -0.208450 -0.312326 -0.184179 -0.025239 -0.167042 6C 1dxy -0.108303 0.026309 0.317898 0.182601 -0.051606 -0.239358 6C 2dz2 -0.613791 0.410431 0.700761 0.363683 -0.129850 -0.540575 6C 2dxz -0.790968 0.573438 -0.231569 -0.093972 0.189019 0.944416 6C 2dyz 0.372608 -0.117830 -1.131254 -0.655074 -0.389945 -1.715963 6C 2dx2y2 1.657175 -1.038673 -1.809306 -0.982893 -0.224413 -1.272669 6C 2dxy 0.380456 -0.237215 1.015652 0.524011 -0.349115 -1.616291 6C 1f0 0.089366 -0.067134 0.139021 0.082154 -0.096070 -0.447301 6C 1f+1 0.221887 -0.154243 -0.328882 -0.187945 0.018751 0.021804 6C 1f-1 -0.004370 -0.012509 0.122768 0.050604 -0.022210 -0.103464 6C 1f+2 0.223070 -0.126943 -0.247240 -0.181628 -0.079949 -0.385054 6C 1f-2 0.017712 0.023859 -0.428649 -0.219909 -0.059311 -0.240837 6C 1f+3 0.226527 -0.131139 -0.193595 -0.133740 0.091565 0.360250 6C 1f-3 -0.113039 0.104680 0.076020 -0.003975 -0.031668 -0.148444 7C 1s -0.010072 -0.022836 0.004059 -0.009483 0.010786 -0.002664 7C 2s -0.028394 -0.056585 0.014559 -0.030082 -0.003283 0.000599 7C 3s 0.122178 -0.537018 -0.153846 0.204204 1.763879 -0.480031 7C 4s -0.068921 3.670426 0.577815 -0.563332 -8.842335 2.367252 7C 5s -0.606440 -0.614013 0.222107 -0.528530 1.492175 -0.173859 7C 1pz 0.096652 0.132905 -0.056838 0.121682 0.288759 -0.059276 7C 1px 0.036771 0.052481 -0.069195 0.083781 0.038012 -0.008834 7C 1py 0.067649 0.092984 -0.053221 0.102115 0.184238 -0.052317 7C 2pz -0.902318 -2.558460 0.274987 -0.842987 -6.210305 1.222935 7C 2px -1.895786 -2.223747 3.449650 -5.729321 0.035042 0.229921 7C 2py -1.246335 -2.376566 1.436158 -2.652990 -3.681852 0.871022 7C 3pz -0.276212 -0.775185 -0.039846 -0.498310 0.930170 -0.132427 7C 3px -0.063317 -0.159782 0.280035 0.011312 0.106792 -0.032960 7C 3py -0.168698 -0.512931 0.076814 -0.273071 0.620298 -0.064189 7C 1dz2 -0.082228 -0.176947 0.143057 -0.258532 -0.183332 0.044938 7C 1dxz 0.116432 0.002621 -0.162374 0.292899 -0.140476 0.006934 7C 1dyz 0.035799 0.056535 0.016483 -0.033668 -0.359800 0.077535 7C 1dx2y2 0.057390 0.285863 -0.061049 0.125683 0.085304 0.000787 7C 1dxy 0.150797 0.268972 -0.166234 0.312860 -0.122133 0.023412 7C 2dz2 -0.742512 -1.096399 0.893036 -1.584342 -1.198705 0.295155 7C 2dxz 0.016981 -0.588660 -0.605555 0.829471 -1.126069 0.148399 7C 2dyz -0.482950 -0.528180 0.450520 -0.786716 -2.131458 0.523732 7C 2dx2y2 0.618521 1.440073 -0.445346 0.929633 0.704002 -0.130021 7C 2dxy 0.357342 0.693541 -0.693985 1.166918 -0.714363 0.136323 7C 1f0 -0.038093 0.010818 0.019254 -0.082542 -0.062398 0.024277 7C 1f+1 0.068932 0.269672 0.010378 0.089693 -0.108675 0.035687 7C 1f-1 -0.071029 -0.106489 0.000282 -0.040938 -0.660954 0.147519 7C 1f+2 0.125285 0.025775 -0.189310 0.343159 0.208162 -0.078695 7C 1f-2 -0.067701 -0.069359 0.199099 -0.243606 -0.151478 0.046535 7C 1f+3 0.127030 0.100929 -0.132852 0.283927 -0.180868 0.021072 7C 1f-3 0.155683 0.309291 -0.214002 0.393926 -0.088853 0.022035 8C 1s 0.002114 0.000433 -0.001810 0.000104 0.005015 0.023195 8C 2s -0.005305 0.005309 -0.001244 0.000201 0.001127 0.004192 8C 3s 0.379498 -0.210323 -0.001854 0.068975 0.501126 2.313010 8C 4s -0.114361 -0.042252 -0.904871 -0.824995 -2.514632-11.657782 8C 5s 1.761157 -1.461762 -1.277868 -0.704554 0.852600 4.440332 8C 1pz -0.000391 -0.002709 -0.032134 -0.027328 -0.031489 -0.163266 8C 1px -0.049145 0.028338 0.033114 0.030307 -0.023611 -0.095519 8C 1py 0.044324 -0.030611 0.021777 0.024049 0.057693 0.254647 8C 2pz -1.424116 0.876104 1.311010 0.840362 0.674035 3.336984 8C 2px 0.065406 0.000512 0.185484 -0.071943 0.435114 1.945132 8C 2py 1.842867 -0.967153 -1.864641 -1.155301 -1.149912 -5.299113 8C 3pz -0.089957 0.104544 0.095193 0.031783 -0.026336 -0.209163 8C 3px -0.097505 0.077069 0.069551 0.102164 -0.011593 -0.085175 8C 3py 0.034448 -0.178830 -0.097382 -0.070952 0.032311 0.259904 8C 1dz2 -0.088276 0.050219 0.066703 0.045469 0.013915 0.076303 8C 1dxz 0.179835 -0.083000 -0.133461 -0.117949 -0.019291 -0.101417 8C 1dyz -0.109413 0.060474 0.107136 0.034899 0.068239 0.292737 8C 1dx2y2 -0.104384 0.062009 0.099872 0.040365 0.046346 0.220594 8C 1dxy -0.176729 0.099658 0.141788 0.105386 0.036575 0.197702 8C 2dz2 -0.042278 -0.004167 0.070406 0.053476 0.088137 0.323265 8C 2dxz 0.673124 -0.367617 -0.485374 -0.358009 -0.118500 -0.631488 8C 2dyz -0.205201 0.061575 0.384987 0.191843 0.320963 1.494204 8C 2dx2y2 -0.680840 0.441795 0.610223 0.369862 0.260590 1.234974 8C 2dxy -0.474935 0.298438 0.386597 0.210365 0.230548 1.072845 8C 1f0 0.193945 -0.122697 -0.175096 -0.098994 -0.055268 -0.259284 8C 1f+1 0.137137 -0.077238 -0.064496 -0.061020 0.003694 0.025199 8C 1f-1 0.138489 -0.051651 -0.118466 -0.056823 0.033762 0.136696 8C 1f+2 -0.370029 0.181333 0.159019 0.054985 -0.173146 -0.806913 8C 1f-2 -0.224881 0.107832 0.135747 0.056544 -0.129284 -0.609005 8C 1f+3 -0.156975 0.086908 0.099891 0.090728 0.071727 0.352606 8C 1f-3 -0.035009 0.009891 -0.044685 0.027088 -0.025611 -0.089128 9C 1s 0.005351 0.001179 -0.001649 0.001318 -0.023258 0.005011 9C 2s 0.002480 -0.005958 -0.002004 0.000634 -0.004283 0.001139 9C 3s 0.253339 0.355901 0.013348 -0.047358 -2.308662 0.510624 9C 4s -0.291937 -0.012386 -0.585607 1.281577 11.609027 -2.588291 9C 5s 1.602066 2.219664 -0.563406 1.553232 -4.515824 0.761594 9C 1pz -0.006720 -0.031087 -0.017200 0.043645 0.255275 -0.062113 9C 1px -0.027648 -0.055616 0.013487 -0.055501 0.044017 -0.008397 9C 1py -0.007873 -0.025652 -0.007961 0.013688 0.177400 -0.037150 9C 2pz -1.457203 -1.955444 1.219180 -2.353004 -5.276739 1.264560 9C 2px 0.262513 0.534998 0.062268 0.382740 -0.869756 0.191471 9C 2py -0.875086 -1.124504 0.768424 -1.361654 -3.612328 0.806069 9C 3pz -0.077725 -0.197072 0.037185 -0.136302 0.283435 -0.030254 9C 3px -0.064178 -0.081523 -0.024764 -0.100238 0.008845 0.020376 9C 3py -0.075595 -0.181467 0.022042 -0.139754 0.206344 -0.014664 9C 1dz2 0.085712 0.095923 -0.071365 0.094740 0.217555 -0.048417 9C 1dxz 0.132738 0.166920 -0.047793 0.187785 0.101952 -0.028048 9C 1dyz 0.121042 0.156362 -0.111697 0.156107 0.331700 -0.078772 9C 1dx2y2 -0.090954 -0.106481 0.045200 -0.120085 -0.088990 0.028243 9C 1dxy 0.072742 0.112416 -0.035654 0.117754 0.067847 -0.022518 9C 2dz2 0.344242 0.483829 -0.312745 0.572115 1.161527 -0.286660 9C 2dxz 0.396763 0.653561 -0.213691 0.523256 0.638223 -0.147371 9C 2dyz 0.340656 0.358605 -0.376855 0.550758 1.736231 -0.395721 9C 2dx2y2 -0.409710 -0.692436 0.249566 -0.634513 -0.596320 0.134572 9C 2dxy 0.090118 0.079761 -0.064355 0.118677 0.328151 -0.084944 9C 1f0 0.143253 0.174245 -0.023602 0.119245 -0.199468 0.042842 9C 1f+1 -0.030848 -0.075286 0.020920 -0.042453 -0.145061 0.032466 9C 1f-1 0.013104 -0.026199 0.051499 -0.122502 -0.724764 0.161093 9C 1f+2 -0.263601 -0.295687 0.072926 -0.189889 0.569480 -0.112309 9C 1f-2 0.167186 0.143044 -0.106292 0.099269 -0.547844 0.111611 9C 1f+3 -0.275204 -0.329138 0.135888 -0.246600 0.193711 -0.034114 9C 1f-3 -0.013666 -0.007663 0.049173 -0.005636 0.064684 -0.018187 10H 1s 0.376825 0.512577 0.119209 -0.367936 0.234293 -0.035626 10H 2s 0.936469 1.354080 0.463335 -1.120543 0.262748 -0.040036 10H 3s -0.413699 -0.518347 -0.179463 0.424320 -0.633722 0.104177 10H 1pz 0.260676 0.350397 0.118600 -0.296678 0.209071 -0.038158 10H 1px -0.370829 -0.483419 -0.157471 0.401683 -0.145121 0.018490 10H 1py 0.104057 0.153081 0.053696 -0.124339 0.091198 -0.019093 11H 1s 0.160526 0.134472 0.090086 -0.096678 0.340823 -0.065252 11H 2s 0.181649 0.065164 0.156433 -0.028299 0.512076 -0.100123 11H 3s -0.243858 -0.275514 -0.096346 0.170820 -0.741852 0.137251 11H 1pz 0.113460 0.125139 0.069439 -0.063928 0.250018 -0.048537 11H 1px 0.081889 0.043350 0.060335 -0.020657 0.224442 -0.043850 11H 1py -0.100174 -0.106687 -0.063544 0.086136 -0.081953 0.014211 12H 1s 0.172629 0.169251 0.104229 -0.106049 0.298283 -0.058563 12H 2s 0.207177 0.102890 0.137809 0.024193 0.373675 -0.107284 12H 3s -0.248496 -0.239552 -0.076492 0.130053 -0.689134 0.145794 12H 1pz -0.047914 -0.045789 -0.036080 0.052432 0.023729 -0.009097 12H 1px 0.032188 -0.024699 0.027358 0.028756 0.148009 -0.034804 12H 1py 0.158576 0.153756 0.088600 -0.060406 0.256862 -0.063641 13H 1s 0.505606 -0.285725 0.270061 0.194969 -0.054896 -0.231310 13H 2s 1.282957 -0.719282 0.904499 0.591887 -0.090848 -0.262063 13H 3s -0.494493 0.277811 -0.356921 -0.215729 0.131964 0.627786 13H 1pz 0.421216 -0.236996 0.291502 0.188323 -0.046535 -0.172159 13H 1px -0.365759 0.192186 -0.238958 -0.165597 0.027937 0.103000 13H 1py -0.230600 0.120975 -0.165213 -0.110936 0.043997 0.173455 14H 1s 0.186826 -0.112997 0.140372 0.015346 -0.051558 -0.276867 14H 2s 0.140936 -0.124431 0.063062 -0.117535 -0.081128 -0.315486 14H 3s -0.222345 0.174498 -0.110185 -0.030356 0.144211 0.654260 14H 1pz 0.129396 -0.092644 0.061753 0.000351 -0.031399 -0.128929 14H 1px 0.081923 -0.052446 0.053843 -0.040853 -0.051552 -0.238109 14H 1py 0.052339 -0.029260 0.053413 0.030023 0.011907 0.053804 15H 1s 0.170440 -0.054430 0.110285 0.036013 -0.068218 -0.342570 15H 2s 0.161883 0.030564 0.130898 -0.011338 -0.102281 -0.527183 15H 3s -0.321050 0.142736 -0.182787 -0.067258 0.142672 0.739566 15H 1pz -0.133164 0.040034 -0.093958 -0.028135 0.031875 0.155436 15H 1px -0.021032 0.021146 -0.013942 -0.025787 -0.017253 -0.097094 15H 1py -0.162915 0.061390 -0.100051 -0.026654 0.057788 0.296386 16H 1s -0.002924 0.024679 -0.025859 -0.041463 0.015440 -0.008212 16H 2s 0.058208 -0.092241 0.059194 0.100544 0.019857 -0.015341 16H 3s -0.027231 -0.027948 0.025489 0.039909 0.031946 -0.020727 16H 1pz 0.008944 -0.023132 0.003712 0.015692 0.017459 -0.010454 16H 1px -0.001487 0.019090 -0.003537 -0.023250 -0.012279 0.006195 16H 1py 0.009489 -0.009616 0.000586 -0.001044 0.004069 -0.008663 17H 1s 0.006725 -0.022245 0.012756 0.036828 -0.017312 0.007045 17H 2s -0.051683 0.091750 0.042576 -0.058482 0.015027 0.036452 17H 3s -0.049807 0.009802 -0.000216 -0.033909 0.008895 0.035224 17H 1pz -0.002804 -0.008541 -0.015997 -0.004844 0.002330 -0.002343 17H 1px 0.018435 -0.019246 -0.022271 0.006334 0.001803 -0.025817 17H 1py -0.005685 0.004504 0.014933 0.003914 -0.008259 0.006494 18H 1s 0.006604 -0.019854 -0.012459 -0.035492 0.017389 -0.007075 18H 2s -0.053224 0.083770 -0.043206 0.053620 -0.013417 -0.035782 18H 3s -0.050460 0.007904 0.000816 0.032677 -0.007875 -0.035091 18H 1pz 0.002157 0.008393 -0.016348 -0.005367 0.002709 -0.002545 18H 1px -0.019080 0.017797 -0.022357 0.005531 0.002661 -0.025540 18H 1py 0.005904 -0.004092 0.014196 0.003510 -0.008385 0.006060 19H 1s -0.002680 0.024311 0.026070 0.042428 -0.015771 0.007977 19H 2s 0.055882 -0.093543 -0.059988 -0.106364 -0.020014 0.014300 19H 3s -0.028501 -0.027110 -0.024787 -0.040506 -0.032426 0.019734 19H 1pz -0.007968 0.023271 0.003948 0.017088 0.017618 -0.009716 19H 1px 0.001296 -0.019027 -0.003509 -0.023979 -0.012505 0.005916 19H 1py -0.009365 0.010174 0.000404 -0.000716 0.004535 -0.008664 20H 1s 0.168857 -0.054235 -0.115199 -0.038433 0.068431 0.342365 20H 2s 0.155506 0.029218 -0.136337 0.011322 0.101997 0.526000 20H 3s -0.320060 0.140626 0.190229 0.072236 -0.143512 -0.738853 20H 1pz 0.131550 -0.039865 -0.097903 -0.029668 0.031883 0.155313 20H 1px 0.021099 -0.020640 -0.013392 -0.025893 -0.017766 -0.099503 20H 1py 0.160925 -0.060965 -0.103876 -0.028282 0.057603 0.295223 21H 1s 0.184478 -0.111984 -0.145264 -0.019361 0.052370 0.278477 21H 2s 0.136281 -0.124719 -0.070180 0.111816 0.082154 0.319991 21H 3s -0.223893 0.173294 0.117911 0.037914 -0.145737 -0.655620 21H 1pz -0.130250 0.092800 0.066240 0.003217 -0.031930 -0.131047 21H 1px -0.079239 0.052422 0.057100 -0.037891 -0.052040 -0.239121 21H 1py -0.052081 0.028687 0.054945 0.030671 0.011603 0.052620 22H 1s 0.509930 -0.281806 -0.281935 -0.202414 0.055188 0.231178 22H 2s 1.288806 -0.710151 -0.936217 -0.608927 0.090354 0.261917 22H 3s -0.494195 0.273763 0.370149 0.225138 -0.132859 -0.628224 22H 1pz -0.419684 0.231953 0.299662 0.192895 -0.046368 -0.171573 22H 1px 0.369537 -0.190281 -0.249405 -0.171505 0.028108 0.103278 22H 1py 0.234023 -0.120787 -0.172767 -0.115255 0.044161 0.174070 23H 1s 0.169214 0.164385 -0.107466 0.111973 -0.300076 0.058052 23H 2s 0.201848 0.096351 -0.143774 -0.016025 -0.379401 0.107707 23H 3s -0.248035 -0.237501 0.083698 -0.141916 0.690987 -0.145415 23H 1pz 0.047304 0.044510 -0.037569 0.054270 0.021356 -0.008325 23H 1px -0.028254 0.027176 0.026760 0.029158 0.145487 -0.033753 23H 1py -0.157305 -0.151262 0.093461 -0.067610 0.260680 -0.063778 24H 1s 0.157452 0.132959 -0.095021 0.102068 -0.339901 0.063894 24H 2s 0.172468 0.062391 -0.161928 0.030039 -0.509282 0.096329 24H 3s -0.240224 -0.270784 0.101739 -0.179380 0.740362 -0.134127 24H 1pz -0.110533 -0.123136 0.072117 -0.066901 0.247740 -0.046916 24H 1px -0.080100 -0.042716 0.063714 -0.023092 0.227028 -0.043224 24H 1py 0.097037 0.104423 -0.065653 0.089378 -0.078230 0.013086 25H 1s 0.379027 0.508078 -0.129190 0.384720 -0.234945 0.034985 25H 2s 0.937690 1.340019 -0.490700 1.165644 -0.264610 0.039394 25H 3s -0.412314 -0.510361 0.190348 -0.444206 0.634883 -0.102508 25H 1pz -0.263078 -0.349758 0.127300 -0.311237 0.209880 -0.037424 25H 1px 0.370556 0.476552 -0.167280 0.417408 -0.145794 0.018085 25H 1py -0.099528 -0.144863 0.054335 -0.124025 0.090484 -0.018726 26O 1s -0.010338 -0.017038 -0.013874 0.016894 -0.001166 0.001367 26O 2s -0.044965 -0.075307 -0.058732 0.078487 -0.005704 0.004923 26O 3s 0.595547 1.035530 0.763291 -1.135453 0.140130 -0.064460 26O 4s -1.866607 -3.179982 -2.340708 3.682737 -0.359155 0.148528 26O 5s -0.853537 -2.362076 -1.600631 3.030771 -0.751746 0.004530 26O 1pz -0.027288 -0.085792 0.001464 0.063850 -0.022735 0.007485 26O 1px -0.141448 -0.320904 -0.184855 0.356647 0.003662 -0.002621 26O 1py -0.080986 -0.176511 -0.069825 0.178159 -0.023040 -0.011457 26O 2pz 0.196845 0.481193 0.092720 -0.413371 0.073733 -0.013424 26O 2px 1.008543 2.081880 1.340628 -2.465791 0.289458 -0.047206 26O 2py 0.532347 1.094200 0.563037 -1.198203 0.188671 0.013114 26O 3pz -0.010474 -0.153233 0.021679 0.488288 -0.165209 -0.000966 26O 3px 0.425623 0.908051 0.817135 -1.103429 0.347230 -0.047044 26O 3py 0.203673 0.225007 0.327973 -0.115859 -0.025307 -0.110417 26O 1dz2 -0.008809 -0.018440 -0.008340 0.016543 -0.022255 0.009100 26O 1dxz 0.005469 0.017661 -0.000385 -0.014466 0.006833 -0.002980 26O 1dyz 0.023502 0.005075 0.013499 -0.019229 -0.026428 0.002589 26O 1dx2y2 0.010216 0.021721 0.016753 -0.027056 0.002663 -0.000988 26O 1dxy 0.016251 0.036343 0.018396 -0.039380 0.004864 0.003037 26O 2dz2 0.162999 0.346987 0.222722 -0.380764 0.033001 -0.003366 26O 2dxz -0.107254 -0.193972 -0.074097 0.194378 -0.023649 0.001241 26O 2dyz -0.046341 -0.116634 -0.036558 0.130984 -0.067662 0.008189 26O 2dx2y2 -0.161796 -0.388728 -0.262686 0.446551 -0.066995 0.015022 26O 2dxy -0.267079 -0.517305 -0.298107 0.576105 -0.103581 0.020300 26O 1f0 0.011345 0.026775 0.001564 -0.016197 -0.028943 -0.004156 26O 1f+1 0.009131 0.031107 0.024938 -0.043660 0.029922 -0.002748 26O 1f-1 0.022118 0.043527 0.010861 -0.011345 0.006444 -0.004695 26O 1f+2 0.017006 0.003161 0.018289 -0.007355 -0.015094 -0.001520 26O 1f-2 -0.028801 -0.061938 -0.020882 0.037146 0.075207 -0.022028 26O 1f+3 0.009041 0.015575 0.021771 -0.018594 -0.000260 -0.002989 26O 1f-3 0.044806 0.089648 0.048921 -0.079012 -0.041310 0.005592 27O 1s -0.017025 0.009135 -0.021031 -0.007712 -0.000131 0.001158 27O 2s -0.073879 0.040851 -0.093015 -0.038157 0.000461 0.005207 27O 3s 0.989733 -0.571800 1.276387 0.585046 -0.034271 -0.127142 27O 4s -3.018744 1.751527 -4.012944 -1.942035 0.111484 0.303164 27O 5s -1.858082 1.578404 -3.156815 -1.754347 0.234444 0.684320 27O 1pz -0.020382 0.019167 0.018120 -0.009386 -0.001423 0.026485 27O 1px -0.309665 0.219080 -0.381042 -0.230489 0.014458 -0.002390 27O 1py 0.105704 -0.076488 0.075758 0.068267 -0.021284 -0.019208 27O 2pz 0.078402 -0.064180 -0.101697 0.014986 0.005797 -0.051797 27O 2px 2.028029 -1.364161 2.711549 1.537812 -0.146872 -0.281659 27O 2py -0.642152 0.445373 -0.603045 -0.431149 0.081615 0.090340 27O 3pz -0.148868 0.134930 -0.328077 -0.311218 0.000310 0.177998 27O 3px 0.848462 -0.550474 1.374453 0.508481 -0.071379 -0.304127 27O 3py -0.114636 -0.105999 0.075468 0.315075 -0.106557 -0.065337 27O 1dz2 -0.028282 0.004204 -0.031518 -0.014909 -0.004977 -0.003058 27O 1dxz 0.005129 -0.002254 -0.003903 0.001457 0.001308 -0.003876 27O 1dyz -0.001747 -0.002689 -0.014324 -0.007153 -0.006529 -0.028422 27O 1dx2y2 0.023700 -0.024833 0.033986 0.023083 -0.008570 -0.019915 27O 1dxy -0.021125 0.015728 -0.023457 -0.018049 0.003547 -0.003883 27O 2dz2 0.339940 -0.238675 0.440945 0.252789 -0.035186 -0.074452 27O 2dxz -0.022405 0.014935 0.034533 -0.004972 0.004313 0.007918 27O 2dyz 0.014144 -0.017087 0.019051 0.028098 -0.014371 -0.051869 27O 2dx2y2 -0.503833 0.336194 -0.667710 -0.352685 0.031724 0.073514 27O 2dxy 0.337718 -0.201543 0.352646 0.224082 -0.026973 -0.062266 27O 1f0 -0.009142 0.000652 -0.006007 0.011917 0.001722 0.001240 27O 1f+1 0.060641 -0.038299 0.062912 0.031743 0.003017 0.037855 27O 1f-1 -0.036707 0.019999 -0.016093 -0.010022 -0.016940 -0.029259 27O 1f+2 -0.014310 0.011225 0.022079 0.010280 0.004236 0.005478 27O 1f-2 0.046222 -0.025523 0.030596 0.008340 0.014980 0.064816 27O 1f+3 0.049140 -0.036009 0.066140 0.030402 -0.005353 -0.033249 27O 1f-3 -0.059926 0.041466 -0.037895 -0.025451 -0.004458 -0.046108 28O 1s -0.002792 -0.009910 0.006532 -0.003708 0.002999 -0.000244 28O 2s -0.006249 -0.037022 0.029863 -0.025172 0.015687 -0.000794 28O 3s -0.014205 0.415884 -0.435796 0.488178 -0.218568 -0.005380 28O 4s 0.201844 -1.091709 1.380455 -1.683131 0.945056 -0.014652 28O 5s 0.327555 -1.208046 1.349301 -2.009884 0.420835 0.095525 28O 1pz 0.009988 -0.137529 0.029996 -0.104776 0.044065 0.017191 28O 1px -0.014474 0.126345 -0.082143 0.136483 -0.094459 0.008805 28O 1py 0.004678 -0.034467 -0.014052 -0.015056 -0.017982 0.000101 28O 2pz -0.182733 0.648239 -0.473252 0.907461 -0.356408 -0.070198 28O 2px 0.232012 -0.620349 0.748991 -1.138659 0.513104 0.005542 28O 2py -0.028811 0.155681 -0.001022 0.127583 0.008554 -0.005022 28O 3pz -0.018990 0.107398 -0.399345 -0.029275 0.044271 -0.000279 28O 3px 0.150742 -0.347862 0.594017 -0.726003 0.167429 0.074756 28O 3py -0.011672 -0.043724 -0.006631 -0.301733 0.039401 -0.061074 28O 1dz2 -0.008767 -0.021057 -0.005536 0.013899 -0.016794 0.004427 28O 1dxz 0.027074 0.006427 0.019436 -0.042675 0.006518 0.006410 28O 1dyz -0.009418 -0.023850 -0.005554 0.012115 -0.028684 0.007436 28O 1dx2y2 -0.000437 -0.002768 -0.015761 0.019706 -0.004127 0.004432 28O 1dxy 0.001472 -0.001857 0.000696 -0.006410 -0.010528 0.000677 28O 2dz2 0.013810 -0.019984 0.021903 -0.095581 -0.006073 0.011854 28O 2dxz -0.093427 0.210490 -0.252765 0.396499 -0.137986 -0.018298 28O 2dyz 0.015078 -0.043737 0.029548 -0.114154 -0.024145 0.015320 28O 2dx2y2 0.065950 -0.141666 0.162668 -0.220745 0.088061 0.014643 28O 2dxy -0.023423 0.023388 -0.020454 0.055345 -0.020000 -0.003583 28O 1f0 0.002105 0.013172 -0.019094 0.024104 0.024361 -0.009633 28O 1f+1 -0.015393 0.005874 0.000379 0.014481 -0.044960 0.001181 28O 1f-1 -0.001263 -0.011831 -0.005475 -0.004869 0.084966 -0.022544 28O 1f+2 0.002675 -0.023141 0.022952 -0.022675 0.016162 -0.007246 28O 1f-2 0.011900 0.028952 0.020149 -0.040647 -0.037031 0.005960 28O 1f+3 -0.000391 -0.018992 0.017966 -0.014555 0.024672 0.002685 28O 1f-3 -0.019941 -0.017192 -0.005231 0.036366 0.023632 -0.006568 29O 1s 0.002082 0.000640 -0.000117 -0.000139 0.000387 -0.000038 29O 2s 0.006801 0.002190 -0.000856 -0.000559 0.001156 -0.000143 29O 3s -0.056095 -0.020731 0.024549 0.006581 -0.007408 0.001274 29O 4s 0.077166 0.041117 -0.164911 0.004624 0.006048 0.011576 29O 5s 0.069978 -0.006167 0.517479 -0.131334 0.004379 -0.083619 29O 1pz -0.007122 -0.009795 0.006309 0.020985 -0.010898 0.008507 29O 1px 0.034633 0.005480 0.037678 -0.004134 -0.003725 -0.005864 29O 1py 0.000098 0.002557 0.004692 -0.009418 -0.003998 -0.007055 29O 2pz 0.030167 -0.009087 -0.023528 -0.033544 0.038742 -0.037051 29O 2px -0.080745 -0.024636 -0.109216 0.011514 0.008799 0.005613 29O 2py -0.001829 -0.009357 0.002381 0.029058 0.010778 0.019728 29O 3pz 0.059502 -0.075436 0.102677 0.082603 -0.002747 -0.014428 29O 3px 0.054443 -0.016408 -0.123766 0.054546 -0.021391 0.005563 29O 3py -0.020489 0.023981 0.013178 -0.014017 -0.002513 -0.001330 29O 1dz2 0.004203 -0.001864 0.001760 0.004675 0.002832 -0.003613 29O 1dxz -0.007722 -0.002294 0.000751 -0.000324 -0.006934 0.004637 29O 1dyz -0.005582 -0.003564 0.003294 0.009161 -0.003199 0.004996 29O 1dx2y2 -0.000886 0.000533 -0.003145 0.001906 -0.001938 0.004155 29O 1dxy 0.001507 -0.008256 -0.002942 0.005192 -0.008048 -0.005935 29O 2dz2 -0.006760 0.005845 -0.005723 0.005239 -0.008656 0.005304 29O 2dxz -0.004825 -0.002537 -0.022430 -0.007749 -0.000171 -0.003418 29O 2dyz -0.015976 0.012463 0.013195 0.004607 -0.015145 0.018243 29O 2dx2y2 0.007145 0.001922 0.014090 -0.003901 0.003379 -0.000408 29O 2dxy 0.000532 0.002995 0.013571 0.002627 -0.007097 0.003840 29O 1f0 -0.002304 0.007150 0.001281 -0.006997 0.007319 0.002922 29O 1f+1 0.002252 0.008974 0.000097 -0.005840 -0.000277 -0.002998 29O 1f-1 0.001426 -0.004679 0.002489 0.005631 -0.011643 -0.003910 29O 1f+2 -0.010252 -0.007405 -0.006001 0.000323 -0.011485 -0.003431 29O 1f-2 -0.002467 0.007966 -0.004039 -0.007183 0.009261 0.004862 29O 1f+3 -0.006600 0.002781 0.002890 -0.001345 -0.001645 0.001132 29O 1f-3 -0.003493 0.009163 0.001324 0.001127 0.019370 0.018399 30O 1s -0.010767 0.006751 0.008422 0.001128 0.000774 -0.002716 30O 2s -0.040037 0.026730 0.042247 0.011654 0.001828 -0.014090 30O 3s 0.439939 -0.327044 -0.665265 -0.265774 -0.010957 0.188950 30O 4s -1.156140 0.900893 2.167398 0.951726 -0.044416 -0.838726 30O 5s -0.926745 1.098367 2.184688 1.343551 -0.092902 -0.311961 30O 1pz -0.090934 0.080464 0.075570 0.072041 -0.018716 -0.025087 30O 1px 0.104496 -0.095209 -0.144195 -0.081137 0.016092 0.089974 30O 1py 0.100326 -0.098464 -0.067794 -0.077371 0.001544 0.027750 30O 2pz 0.433819 -0.420363 -0.728727 -0.503607 0.070982 0.209982 30O 2px -0.516664 0.502893 1.187667 0.641938 -0.063279 -0.436261 30O 2py -0.481229 0.484539 0.727335 0.534903 -0.031929 -0.242607 30O 3pz 0.208650 -0.061857 -0.303861 0.047958 -0.123415 0.049468 30O 3px -0.268847 0.343628 0.899786 0.505782 -0.019914 -0.108273 30O 3py -0.156809 0.082046 0.193536 -0.184550 0.057043 0.057374 30O 1dz2 0.010320 -0.002231 0.010706 0.005555 -0.003726 -0.014829 30O 1dxz 0.005911 0.011177 0.024095 0.015979 -0.005351 0.002180 30O 1dyz 0.020208 -0.018131 0.029633 0.014472 -0.004579 -0.030705 30O 1dx2y2 0.016213 -0.003368 -0.004816 0.003230 -0.003105 -0.008419 30O 1dxy -0.000624 -0.002798 -0.026479 -0.018717 -0.004582 -0.007541 30O 2dz2 0.034645 -0.046651 -0.087453 -0.044917 -0.000560 0.017850 30O 2dxz 0.152315 -0.132468 -0.300902 -0.169332 0.004699 0.082943 30O 2dyz 0.107810 -0.116982 -0.258900 -0.187679 0.005309 0.015799 30O 2dx2y2 -0.060539 0.060294 0.090156 0.019375 -0.002926 -0.048752 30O 2dxy -0.130460 0.146896 0.309664 0.176051 -0.014487 -0.105211 30O 1f0 0.017374 -0.015445 -0.027765 -0.015627 0.011678 0.072974 30O 1f+1 -0.013123 0.003320 -0.013356 -0.016723 0.002668 -0.019518 30O 1f-1 0.032806 -0.012938 0.023975 0.014125 -0.001289 0.027881 30O 1f+2 -0.011167 0.005395 0.018592 0.000579 0.020004 0.055700 30O 1f-2 -0.034579 0.030683 0.000211 -0.006144 -0.010296 -0.049484 30O 1f+3 -0.016094 0.006095 0.005875 -0.008016 -0.004345 0.003121 30O 1f-3 -0.000328 0.006926 0.053204 0.029721 0.004362 0.025389 31O 1s -0.011318 0.006716 -0.008243 -0.001070 -0.000745 0.002742 31O 2s -0.042396 0.026734 -0.041635 -0.011474 -0.001690 0.014226 31O 3s 0.471548 -0.329555 0.659713 0.264576 0.008776 -0.191456 31O 4s -1.253574 0.912168 -2.154205 -0.950359 0.051810 0.848075 31O 5s -1.004500 1.119521 -2.175148 -1.330363 0.097335 0.320864 31O 1pz 0.094859 -0.081976 0.074390 0.071440 -0.018900 -0.025496 31O 1px -0.111051 0.096425 -0.143019 -0.080435 0.016462 0.090410 31O 1py -0.104302 0.100240 -0.066518 -0.076658 0.002056 0.028049 31O 2pz -0.464346 0.428969 -0.724664 -0.501803 0.073405 0.213602 31O 2px 0.564384 -0.512512 1.183690 0.640578 -0.066827 -0.441083 31O 2py 0.512378 -0.494105 0.722308 0.532633 -0.035171 -0.245698 31O 3pz -0.225593 0.059273 -0.301895 0.043778 -0.121042 0.050808 31O 3px 0.302186 -0.350968 0.896558 0.503070 -0.022507 -0.112050 31O 3py 0.172876 -0.074790 0.192099 -0.181494 0.055194 0.055740 31O 1dz2 0.009842 -0.002178 -0.010833 -0.005365 0.003748 0.014746 31O 1dxz 0.005264 0.011245 -0.024535 -0.015900 0.005409 -0.002055 31O 1dyz 0.019808 -0.017907 -0.030171 -0.014880 0.004549 0.030873 31O 1dx2y2 0.016656 -0.003296 0.004470 -0.003283 0.003167 0.008458 31O 1dxy -0.000181 -0.003074 0.026772 0.019055 0.004449 0.007438 31O 2dz2 0.038204 -0.047393 0.087273 0.044875 0.000459 -0.018130 31O 2dxz 0.164596 -0.135054 0.299784 0.169589 -0.005894 -0.084377 31O 2dyz 0.116697 -0.120022 0.258162 0.187312 -0.006187 -0.016679 31O 2dx2y2 -0.065683 0.060265 -0.089822 -0.019445 0.003542 0.049494 31O 2dxy -0.143104 0.149412 -0.308756 -0.175723 0.015555 0.106411 31O 1f0 -0.018425 0.015662 -0.027697 -0.015595 0.011790 0.073140 31O 1f+1 0.013226 -0.003011 -0.013797 -0.016817 0.002841 -0.019397 31O 1f-1 -0.031985 0.012416 0.024363 0.014058 -0.001426 0.028162 31O 1f+2 0.012350 -0.005434 0.018223 0.000440 0.019987 0.055696 31O 1f-2 0.035086 -0.030206 -0.000275 -0.006302 -0.010526 -0.049446 31O 1f+3 0.016789 -0.005785 0.005586 -0.008201 -0.004447 0.002910 31O 1f-3 0.001889 -0.007390 0.053354 0.029777 0.004334 0.025363 32O 1s 0.002153 0.000597 0.000062 0.000078 -0.000376 0.000028 32O 2s 0.007065 0.002054 0.000671 0.000362 -0.001122 0.000116 32O 3s -0.059198 -0.019900 -0.022935 -0.005142 0.007163 -0.001088 32O 4s 0.088141 0.040744 0.162084 -0.007889 -0.005481 -0.012026 32O 5s 0.045669 -0.005445 -0.516548 0.143621 -0.006289 0.084962 32O 1pz 0.006788 0.008998 0.006241 0.020921 -0.010990 0.008471 32O 1px -0.033755 -0.005595 0.038082 -0.004712 -0.003616 -0.005898 32O 1py 0.000174 -0.001913 0.004944 -0.008896 -0.004127 -0.007017 32O 2pz -0.029193 0.010717 -0.023646 -0.032634 0.039423 -0.036581 32O 2px 0.078315 0.023811 -0.110389 0.012201 0.008787 0.005894 32O 2py 0.001387 0.009251 0.001488 0.029028 0.011242 0.019215 32O 3pz -0.056591 0.072831 0.102073 0.082544 -0.002089 -0.013787 32O 3px -0.061669 0.012618 -0.123235 0.054072 -0.021187 0.005881 32O 3py 0.019838 -0.017873 0.014025 -0.007782 -0.003056 -0.001819 32O 1dz2 0.004550 -0.002021 -0.002051 -0.005051 -0.002957 0.003799 32O 1dxz -0.007606 -0.002407 -0.000677 0.000125 0.006971 -0.004496 32O 1dyz -0.005708 -0.003455 -0.003145 -0.009277 0.003350 -0.004972 32O 1dx2y2 -0.000604 0.000487 0.003098 -0.002176 0.001889 -0.004046 32O 1dxy 0.001693 -0.008090 0.002868 -0.005400 0.008109 0.005928 32O 2dz2 -0.005497 0.005587 0.006200 -0.005053 0.008173 -0.004320 32O 2dxz -0.003883 -0.002776 0.022753 0.007745 -0.000325 0.003726 32O 2dyz -0.016116 0.012736 -0.012942 -0.004239 0.016005 -0.018000 32O 2dx2y2 0.006982 0.001092 -0.013932 0.003476 -0.003780 0.000842 32O 2dxy 0.000378 0.002762 -0.013273 -0.002513 0.007130 -0.003515 32O 1f0 0.002423 -0.007563 0.001382 -0.008096 0.008039 0.003252 32O 1f+1 -0.002513 -0.008196 0.000752 -0.005112 -0.000633 -0.003383 32O 1f-1 -0.000944 0.004550 0.002220 0.005715 -0.011553 -0.004145 32O 1f+2 0.010383 0.007435 -0.006218 0.000647 -0.010556 -0.003156 32O 1f-2 0.002540 -0.007882 -0.004258 -0.007633 0.009106 0.004794 32O 1f+3 0.007133 -0.003019 0.002361 -0.002545 -0.001661 0.000824 32O 1f-3 0.003727 -0.009912 0.001325 0.000073 0.019373 0.019028 33O 1s -0.003278 -0.010267 -0.006432 0.003522 -0.003015 0.000250 33O 2s -0.008349 -0.038721 -0.029591 0.024568 -0.015790 0.000810 33O 3s 0.014491 0.441559 0.434879 -0.483389 0.220937 0.005034 33O 4s 0.112958 -1.174781 -1.381997 1.673758 -0.954467 0.015520 33O 5s 0.249560 -1.286804 -1.354565 1.992272 -0.423063 -0.102487 33O 1pz -0.005694 0.142621 0.029547 -0.102764 0.044326 0.017347 33O 1px 0.008202 -0.132997 -0.082159 0.134680 -0.094784 0.008495 33O 1py -0.004521 0.035623 -0.013984 -0.014592 -0.017476 -0.000039 33O 2pz 0.146797 -0.687177 -0.474355 0.900827 -0.359906 -0.070824 33O 2px -0.184319 0.670149 0.753349 -1.135102 0.518455 0.006174 33O 2py 0.025964 -0.162709 -0.002018 0.126697 0.006089 -0.004888 33O 3pz -0.000375 -0.115838 -0.398514 -0.026342 0.040865 0.000856 33O 3px -0.116966 0.378213 0.596030 -0.723086 0.169094 0.076127 33O 3py 0.011827 0.050674 -0.007229 -0.298644 0.040607 -0.059862 33O 1dz2 -0.008769 -0.020660 0.005734 -0.014350 0.016675 -0.004354 33O 1dxz 0.026182 0.005376 -0.020162 0.043347 -0.006827 -0.006246 33O 1dyz -0.009439 -0.023834 0.005999 -0.012748 0.028832 -0.007516 33O 1dx2y2 0.000219 -0.002078 0.015808 -0.019904 0.004112 -0.004363 33O 1dxy 0.001722 -0.001664 -0.000824 0.006768 0.010292 -0.000637 33O 2dz2 0.011999 -0.022503 -0.021594 0.094681 0.006347 -0.011918 33O 2dxz -0.077312 0.227203 0.254084 -0.395927 0.139746 0.018466 33O 2dyz 0.013487 -0.047314 -0.030215 0.114343 0.023628 -0.015398 33O 2dx2y2 0.055478 -0.151800 -0.163978 0.220596 -0.089574 -0.014511 33O 2dxy -0.022313 0.025821 0.021479 -0.056045 0.020724 0.003583 33O 1f0 -0.002701 -0.013551 -0.019225 0.024297 0.023374 -0.009230 33O 1f+1 0.015404 -0.006156 0.000175 0.014678 -0.044629 0.001025 33O 1f-1 0.000880 0.011542 -0.005330 -0.004892 0.085292 -0.022413 33O 1f+2 -0.001062 0.024521 0.022747 -0.022122 0.015834 -0.006999 33O 1f-2 -0.010698 -0.027428 0.020325 -0.040807 -0.037593 0.005862 33O 1f+3 0.001463 0.019851 0.018004 -0.014463 0.024525 0.002746 33O 1f-3 0.020003 0.016581 -0.005828 0.037128 0.023297 -0.006471 34O 1s -0.016615 0.009006 0.021316 0.007817 0.000129 -0.001175 34O 2s -0.072099 0.040178 0.094255 0.038634 -0.000465 -0.005291 34O 3s 0.966071 -0.561026 -1.292860 -0.591671 0.034200 0.128381 34O 4s -2.946339 1.715373 4.064513 1.963172 -0.111602 -0.308534 34O 5s -1.787846 1.545034 3.187095 1.774714 -0.231790 -0.682363 34O 1pz 0.021430 -0.018609 0.018034 -0.009705 -0.001270 0.026285 34O 1px 0.302778 -0.213993 -0.386170 -0.233173 0.014288 -0.002095 34O 1py -0.105447 0.074974 0.077609 0.069313 -0.021030 -0.019234 34O 2pz -0.083497 0.062477 -0.101246 0.015874 0.005663 -0.050909 34O 2px -1.978489 1.332670 2.745017 1.553767 -0.145760 -0.284374 34O 2py 0.636876 -0.436768 -0.614836 -0.437265 0.080725 0.090882 34O 3pz 0.143549 -0.127371 -0.331576 -0.314353 0.000254 0.178396 34O 3px -0.814720 0.544048 1.386791 0.512694 -0.070686 -0.304623 34O 3py 0.113977 0.098092 0.074872 0.320963 -0.107102 -0.066042 34O 1dz2 -0.027907 0.003880 0.032134 0.014818 0.005162 0.002905 34O 1dxz 0.005514 -0.002237 0.003816 -0.001569 -0.001255 0.003840 34O 1dyz -0.001290 -0.002849 0.014510 0.007301 0.006333 0.028388 34O 1dx2y2 0.023204 -0.024401 -0.034339 -0.023442 0.008614 0.019887 34O 1dxy -0.021184 0.015452 0.023851 0.018327 -0.003610 0.003740 34O 2dz2 0.332064 -0.233633 -0.446232 -0.255509 0.035130 0.074677 34O 2dxz -0.024133 0.014344 -0.034465 0.005242 -0.004228 -0.007417 34O 2dyz 0.014024 -0.016381 -0.019089 -0.028361 0.014226 0.051737 34O 2dx2y2 -0.490578 0.328858 0.675202 0.355907 -0.031230 -0.074062 34O 2dxy 0.333675 -0.197282 -0.358744 -0.226471 0.026708 0.062361 34O 1f0 0.009340 -0.001270 -0.006402 0.011605 0.001883 0.001287 34O 1f+1 -0.059791 0.037763 0.064075 0.032146 0.003109 0.037682 34O 1f-1 0.037147 -0.019820 -0.016816 -0.010192 -0.017320 -0.029161 34O 1f+2 0.015505 -0.011439 0.021901 0.010028 0.004225 0.005156 34O 1f-2 -0.046092 0.025360 0.031681 0.008976 0.014760 0.064646 34O 1f+3 -0.047590 0.035279 0.066788 0.030901 -0.005278 -0.033130 34O 1f-3 0.060299 -0.041091 -0.039021 -0.025905 -0.004415 -0.046082 35O 1s -0.009929 -0.016599 0.014136 -0.017304 0.001174 -0.001377 35O 2s -0.043215 -0.073274 0.059885 -0.080304 0.005751 -0.004974 35O 3s 0.572975 1.006487 -0.778880 1.160219 -0.140703 0.065039 35O 4s -1.797931 -3.086942 2.390094 -3.760850 0.362369 -0.150648 35O 5s -0.797132 -2.275844 1.628774 -3.081977 0.751317 -0.012861 35O 1pz 0.028000 0.084849 0.000517 0.065599 -0.022739 0.007451 35O 1px 0.135422 0.311367 -0.189138 0.363759 0.003418 -0.002135 35O 1py 0.078694 0.172312 -0.072256 0.182211 -0.022833 -0.011432 35O 2pz -0.197472 -0.473683 0.098823 -0.423877 0.074102 -0.013762 35O 2px -0.966600 -2.016819 1.369551 -2.512572 0.290750 -0.049504 35O 2py -0.515995 -1.065979 0.579214 -1.224574 0.188403 0.012453 35O 3pz 0.009375 0.140407 0.020103 0.493457 -0.169067 0.000924 35O 3px -0.397130 -0.876629 0.828718 -1.123613 0.345717 -0.049141 35O 3py -0.195472 -0.220589 0.332766 -0.119320 -0.026239 -0.111067 35O 1dz2 -0.008837 -0.018170 0.008674 -0.016935 0.021958 -0.009012 35O 1dxz 0.005822 0.017670 0.000245 0.014895 -0.006990 0.002947 35O 1dyz 0.023196 0.004576 -0.014048 0.019838 0.026278 -0.002556 35O 1dx2y2 0.009623 0.020990 -0.017026 0.027473 -0.002825 0.000978 35O 1dxy 0.015825 0.035588 -0.018857 0.040394 -0.004907 -0.003097 35O 2dz2 0.155990 0.336783 -0.227308 0.388133 -0.033026 0.003726 35O 2dxz -0.106367 -0.190084 0.077014 -0.199018 0.023779 -0.001384 35O 2dyz -0.045639 -0.113986 0.037910 -0.133670 0.067776 -0.008274 35O 2dx2y2 -0.153304 -0.376123 0.267142 -0.454085 0.066936 -0.015332 35O 2dxy -0.258441 -0.503046 0.305831 -0.588073 0.103321 -0.020749 35O 1f0 -0.011871 -0.026956 0.001963 -0.016998 -0.028904 -0.004157 35O 1f+1 -0.007878 -0.029539 0.025108 -0.043978 0.029197 -0.002575 35O 1f-1 -0.022398 -0.043607 0.011447 -0.012321 0.006004 -0.004783 35O 1f+2 -0.016054 -0.002484 0.018573 -0.007755 -0.015351 -0.001485 35O 1f-2 0.028923 0.061618 -0.021809 0.038759 0.074944 -0.021687 35O 1f+3 -0.008538 -0.015208 0.022081 -0.019188 0.000543 -0.003139 35O 1f-3 -0.043652 -0.087943 0.050305 -0.081260 -0.041077 0.005315 612 613 614 615 616 617 4.83081 4.86191 5.12350 5.12672 5.15360 5.15393 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s 0.007356 0.000258 -0.000104 -0.000821 -0.000065 -0.000071 0Rh 2s -0.061611 -0.002163 -0.000138 0.005923 0.000373 0.000795 0Rh 3s 0.007415 0.000262 -0.000708 -0.001418 -0.000167 0.000047 0Rh 4s 0.359863 0.012657 0.000479 -0.035605 -0.002289 -0.004678 0Rh 5s -0.881594 -0.031095 -0.003912 0.088651 0.005457 0.012617 0Rh 6s 0.896378 0.031750 0.017026 -0.089155 -0.004191 -0.017159 0Rh 7s -0.714436 -0.025576 -0.029329 0.126582 0.000812 0.031554 0Rh 8s -0.102923 -0.004045 0.039130 0.162317 0.008552 -0.025568 0Rh 1pz 0.003255 -0.000116 0.002969 0.000972 -0.004622 0.015850 0Rh 1px -0.001861 0.000135 -0.012716 -0.005349 -0.005855 0.013176 0Rh 1py -0.000748 -0.002641 -0.014896 -0.012396 0.012798 -0.016709 0Rh 2pz -0.013413 0.000462 -0.012141 -0.004020 0.018958 -0.064906 0Rh 2px 0.008504 -0.000502 0.052008 0.022050 0.023990 -0.053942 0Rh 2py 0.003190 0.010648 0.060950 0.050756 -0.052398 0.068397 0Rh 3pz 0.042947 -0.001158 0.036166 0.012850 -0.057575 0.195038 0Rh 3px -0.045253 0.000429 -0.155082 -0.068963 -0.072355 0.161746 0Rh 3py -0.012570 -0.028975 -0.182176 -0.152328 0.157428 -0.205132 0Rh 4pz -0.061848 0.000404 -0.041269 -0.016707 0.068641 -0.225792 0Rh 4px 0.125820 0.003306 0.176656 0.086263 0.084416 -0.186320 0Rh 4py 0.026335 0.024440 0.207229 0.174750 -0.182818 0.236848 0Rh 5pz 0.064421 0.003026 0.021477 0.006437 -0.036206 0.105192 0Rh 5px -0.244706 -0.010561 -0.083582 -0.036734 -0.039661 0.087177 0Rh 5py -0.043062 0.007298 -0.083779 -0.074720 0.087431 -0.112154 0Rh 6pz -0.197161 -0.015749 -0.082808 0.110884 0.056746 -0.128291 0Rh 6px 0.529442 0.017934 0.115034 -0.362007 0.023195 -0.112535 0Rh 6py 0.068823 -0.008732 -0.047167 0.071190 -0.109967 0.181492 0Rh 1dz2 -0.008923 -0.006966 0.004422 0.003609 -0.000327 0.000590 0Rh 1dxz -0.012250 0.002644 0.000612 -0.000282 0.001066 -0.003959 0Rh 1dyz -0.001403 -0.023966 0.004205 0.003585 0.003228 -0.003024 0Rh 1dx2y2 0.020004 0.000009 0.000664 0.002481 0.003213 -0.002488 0Rh 1dxy 0.007009 -0.008979 -0.013000 -0.010079 -0.005052 0.006009 0Rh 2dz2 0.000836 -0.003053 -0.000071 0.000303 0.000055 0.000011 0Rh 2dxz 0.001202 0.000264 0.000496 0.000964 0.000125 -0.000217 0Rh 2dyz 0.000521 -0.007393 -0.000022 0.000175 -0.000698 0.000481 0Rh 2dx2y2 -0.001523 -0.001209 -0.001176 -0.001942 -0.000381 0.000032 0Rh 2dxy -0.000516 -0.003027 0.000738 0.000544 0.000057 0.000179 0Rh 3dz2 0.034661 0.045755 -0.019948 -0.018136 0.001255 -0.002807 0Rh 3dxz 0.047429 -0.012983 -0.005054 -0.003360 -0.005478 0.019223 0Rh 3dyz 0.003510 0.142192 -0.019237 -0.017370 -0.011574 0.011649 0Rh 3dx2y2 -0.079537 0.005964 0.002306 -0.002125 -0.012977 0.011317 0Rh 3dxy -0.027989 0.054551 0.056293 0.043821 0.022973 -0.028566 0Rh 4dz2 -0.047410 -0.108424 0.036795 0.037618 -0.002085 0.005978 0Rh 4dxz -0.065350 0.025263 0.011297 0.013668 0.010737 -0.037151 0Rh 4dyz -0.000162 -0.317814 0.036319 0.034668 0.017814 -0.019170 0Rh 4dx2y2 0.114158 -0.022211 -0.009069 -0.009307 0.021943 -0.021331 0Rh 4dxy 0.040339 -0.123567 -0.101909 -0.079960 -0.042283 0.055279 0Rh 5dz2 -0.035783 0.266520 -0.048935 -0.078342 -0.000602 -0.012979 0Rh 5dxz -0.034799 -0.046463 -0.019821 -0.060842 -0.013981 0.053048 0Rh 5dyz -0.034531 0.718321 -0.052527 -0.063464 -0.013021 0.015428 0Rh 5dx2y2 0.035050 0.085781 0.024761 0.080680 -0.018412 0.028267 0Rh 5dxy 0.013992 0.280627 0.127454 0.107429 0.048202 -0.081505 0Rh 1f0 -0.014497 0.001411 0.000524 -0.004311 0.002980 -0.005047 0Rh 1f+1 0.009672 -0.001996 -0.001301 0.004281 0.002424 -0.001492 0Rh 1f-1 0.001803 0.002887 -0.002417 0.000761 -0.000395 0.000954 0Rh 1f+2 0.018689 0.002401 -0.005676 0.005879 0.002543 -0.003342 0Rh 1f-2 0.007694 -0.004973 0.000283 0.003734 -0.001874 -0.001672 0Rh 1f+3 0.020082 0.000022 -0.005799 0.006111 0.001674 0.003655 0Rh 1f-3 0.012455 0.005401 0.004147 0.005096 -0.003578 -0.000579 1Rh 1s 0.007332 0.000261 -0.000071 0.000828 0.000082 -0.000044 1Rh 2s -0.061399 -0.002179 -0.000375 -0.005952 -0.000602 0.000616 1Rh 3s 0.007397 0.000266 -0.000649 0.001443 0.000135 0.000103 1Rh 4s 0.358632 0.012753 0.001902 0.035791 0.003624 -0.003597 1Rh 5s -0.878534 -0.031323 -0.007452 -0.089054 -0.009110 0.009959 1Rh 6s 0.892953 0.031961 0.020578 0.089270 0.009410 -0.014698 1Rh 7s -0.706286 -0.026263 -0.034574 -0.127075 -0.010482 0.029599 1Rh 8s -0.102801 -0.003617 0.031902 -0.163444 0.001060 -0.029854 1Rh 1pz -0.003190 0.000061 -0.003148 0.001257 -0.000327 -0.016488 1Rh 1px 0.001888 -0.000143 0.012417 -0.005631 -0.001390 -0.014361 1Rh 1py 0.000767 0.002564 0.014495 -0.012987 0.006318 0.019637 1Rh 2pz 0.013148 -0.000238 0.012871 -0.005188 0.001370 0.067529 1Rh 2px -0.008612 0.000536 -0.050778 0.023205 0.005709 0.058798 1Rh 2py -0.003265 -0.010341 -0.059307 0.053175 -0.025872 -0.080387 1Rh 3pz -0.042152 0.000458 -0.038303 0.016362 -0.004704 -0.203124 1Rh 3px 0.045564 -0.000557 0.151284 -0.072420 -0.017510 -0.176455 1Rh 3py 0.012709 0.028174 0.177246 -0.159567 0.077880 0.241165 1Rh 4pz 0.060841 0.000577 0.043588 -0.020767 0.007374 0.235827 1Rh 4px -0.126169 -0.003051 -0.172013 0.090256 0.021162 0.203623 1Rh 4py -0.026178 -0.023889 -0.201578 0.183000 -0.090973 -0.278751 1Rh 5pz -0.063518 -0.004090 -0.022493 0.008339 -0.007603 -0.111332 1Rh 5px 0.244949 0.010143 0.081596 -0.038844 -0.010008 -0.095243 1Rh 5py 0.042211 -0.006778 0.081419 -0.078071 0.044000 0.132234 1Rh 6pz 0.191902 0.020167 0.093378 0.104003 0.021495 0.140625 1Rh 6px -0.527431 -0.016983 -0.128662 -0.359544 -0.013045 0.111054 1Rh 6py -0.064283 0.005699 0.047295 0.071180 -0.041362 -0.203564 1Rh 1dz2 -0.009014 -0.006857 0.004200 -0.003642 0.000250 0.000663 1Rh 1dxz -0.012212 0.002569 0.000818 0.000038 -0.000004 -0.004136 1Rh 1dyz -0.001399 -0.023972 0.004290 -0.004011 -0.002103 -0.004008 1Rh 1dx2y2 0.020113 -0.000048 0.000717 -0.002692 -0.002239 -0.003399 1Rh 1dxy 0.006922 -0.008888 -0.012537 0.010434 0.002688 0.007270 1Rh 2dz2 0.000829 -0.003046 -0.000064 -0.000306 -0.000048 0.000002 1Rh 2dxz 0.001204 0.000262 0.000434 -0.000960 -0.000042 -0.000240 1Rh 2dyz 0.000521 -0.007385 -0.000024 -0.000153 0.000519 0.000676 1Rh 2dx2y2 -0.001517 -0.001206 -0.001106 0.001992 0.000334 0.000172 1Rh 2dxy -0.000512 -0.003027 0.000723 -0.000563 -0.000114 0.000152 1Rh 3dz2 0.035093 0.045250 -0.018958 0.018305 -0.000916 -0.003096 1Rh 3dxz 0.047263 -0.012642 -0.005702 0.004461 0.000210 0.020147 1Rh 3dyz 0.003497 0.142184 -0.019627 0.019237 0.007235 0.015267 1Rh 3dx2y2 -0.080053 0.006201 0.001731 0.002864 0.008709 0.014847 1Rh 3dxy -0.027627 0.054149 0.054233 -0.045366 -0.011805 -0.034237 1Rh 4dz2 -0.048231 -0.107493 0.034938 -0.037973 0.001283 0.006405 1Rh 4dxz -0.065099 0.024672 0.012084 -0.015703 -0.000477 -0.038974 1Rh 4dyz -0.000169 -0.317689 0.037115 -0.038164 -0.010669 -0.024915 1Rh 4dx2y2 0.115138 -0.022569 -0.007468 0.008112 -0.014099 -0.027091 1Rh 4dxy 0.039799 -0.122874 -0.098061 0.082738 0.020818 0.065574 1Rh 5dz2 -0.034307 0.264783 -0.045941 0.079188 0.002959 -0.012093 1Rh 5dxz -0.034613 -0.046008 -0.018778 0.063500 -0.000855 0.055332 1Rh 5dyz -0.033825 0.716262 -0.054158 0.068925 0.007145 0.020552 1Rh 5dx2y2 0.033439 0.085582 0.019615 -0.079421 0.008783 0.032227 1Rh 5dxy 0.013908 0.279522 0.121767 -0.110585 -0.017401 -0.092283 1Rh 1f0 0.014522 -0.001406 -0.000707 -0.004409 0.001278 0.005702 1Rh 1f+1 -0.009649 0.002037 0.001457 0.004136 0.001884 0.002162 1Rh 1f-1 -0.001830 -0.002847 0.002545 0.000633 -0.000307 -0.001085 1Rh 1f+2 -0.018540 -0.002517 0.005885 0.005705 0.001476 0.004051 1Rh 1f-2 -0.007552 0.004818 -0.000261 0.003865 -0.002368 0.001064 1Rh 1f+3 -0.020167 0.000089 0.006131 0.005871 0.002688 -0.002909 1Rh 1f-3 -0.012300 -0.005427 -0.003895 0.005206 -0.003568 -0.000499 2C 1s 0.017268 -0.013196 0.000321 -0.000714 -0.000147 -0.000058 2C 2s 0.004156 0.001919 0.000866 0.000202 -0.000157 -0.000338 2C 3s 1.751133 -1.750561 -0.034771 -0.121742 0.000812 0.016452 2C 4s -9.046873 8.863121 0.103804 0.601269 0.030080 -0.073452 2C 5s 2.945041 -0.242702 0.022113 -0.340842 -0.049603 -0.026746 2C 1pz 0.190388 -0.213945 -0.009842 -0.014412 0.009056 -0.003384 2C 1px 0.026961 -0.031906 -0.005374 -0.009334 0.002205 0.000531 2C 1py 0.129291 -0.144671 -0.003489 -0.008921 -0.009176 0.010725 2C 2pz -4.408182 4.406396 0.073390 0.277240 -0.081868 0.057005 2C 2px -0.748097 0.732903 0.051202 0.104773 -0.003929 -0.024074 2C 2py -2.979525 2.987057 -0.016644 0.172421 0.191173 -0.190615 2C 3pz 0.170858 0.432232 0.005104 -0.055820 0.007918 -0.033898 2C 3px -0.035496 0.203370 0.016870 0.008852 -0.004871 0.005176 2C 3py 0.136311 0.247568 0.018435 -0.011119 -0.033514 0.029086 2C 1dz2 -0.194122 0.187916 0.001555 0.018986 0.005485 -0.006321 2C 1dxz -0.097236 0.098082 -0.008915 -0.003946 0.001377 -0.000337 2C 1dyz -0.299370 0.290044 0.001238 0.012317 0.002572 -0.003135 2C 1dx2y2 0.084036 -0.082098 -0.000512 -0.001267 0.000303 -0.001425 2C 1dxy -0.066843 0.064450 -0.004978 -0.004775 -0.002897 0.004322 2C 2dz2 -0.978293 0.968684 0.005695 0.055533 -0.004394 -0.009172 2C 2dxz -0.505212 0.523024 -0.023278 0.025594 0.041672 -0.038949 2C 2dyz -1.433091 1.402006 0.026947 0.104081 0.036211 -0.042185 2C 2dx2y2 0.486736 -0.482043 -0.000874 -0.003609 0.039786 -0.048403 2C 2dxy -0.266069 0.266101 0.043341 0.030760 -0.100780 0.090364 2C 1f0 -0.147937 0.133746 0.000512 0.020534 0.009317 -0.017726 2C 1f+1 -0.122715 0.111629 0.002691 0.013918 -0.020977 0.019549 2C 1f-1 -0.542265 0.509760 0.008010 0.028237 -0.006052 0.004609 2C 1f+2 0.394452 -0.349901 -0.007825 -0.022717 -0.009996 0.012209 2C 1f-2 -0.367542 0.336023 -0.005763 0.018439 0.002017 -0.005690 2C 1f+3 0.108024 -0.083830 -0.009871 -0.010540 0.017179 -0.019061 2C 1f-3 0.014464 -0.018947 0.004413 0.000253 0.002713 -0.004335 3C 1s 0.016214 0.014565 0.000177 0.000484 0.000599 -0.000643 3C 2s 0.004365 -0.001531 0.000810 -0.000767 0.000948 -0.000597 3C 3s 1.608103 1.884340 -0.046577 0.136410 0.006396 -0.027963 3C 4s -8.333109 -9.560798 0.192919 -0.675394 -0.121466 0.145245 3C 5s 2.884846 0.458467 0.021791 0.432658 -0.019655 -0.011147 3C 1pz 0.110624 0.143239 -0.004754 0.010234 -0.002967 -0.002732 3C 1px 0.060500 0.079563 0.000408 0.003608 -0.008079 0.000682 3C 1py -0.169881 -0.225285 0.011843 -0.017971 -0.001747 0.000391 3C 2pz -2.500531 -2.928835 0.035346 -0.167470 -0.016856 0.072083 3C 2px -1.486265 -1.706126 -0.022485 -0.123328 0.102090 0.015898 3C 2py 4.014291 4.698816 -0.142542 0.358108 0.157657 0.003111 3C 3pz 0.175778 -0.134465 0.014476 0.031400 -0.006597 0.000227 3C 3px 0.052982 -0.227901 0.006867 0.047458 -0.015878 0.018692 3C 3py -0.174845 0.455669 -0.017307 -0.049162 -0.001344 -0.005705 3C 1dz2 0.061745 0.069054 -0.002251 -0.000395 0.002254 -0.007120 3C 1dxz -0.086220 -0.101949 0.009973 -0.013543 -0.008589 -0.001266 3C 1dyz 0.240293 0.271174 0.001648 0.015777 0.003736 0.005510 3C 1dx2y2 0.178071 0.201080 0.005949 0.002433 -0.003123 -0.009320 3C 1dxy 0.162566 0.185090 -0.009423 0.014796 0.010218 -0.002707 3C 2dz2 0.242650 0.293339 -0.024205 0.028427 0.037680 0.022649 3C 2dxz -0.464635 -0.549118 0.047668 -0.034088 -0.094136 -0.038454 3C 2dyz 1.135224 1.288109 -0.042200 0.137648 0.016114 0.009386 3C 2dx2y2 0.928897 1.077262 -0.010205 0.054701 0.003866 -0.044047 3C 2dxy 0.790579 0.920015 0.001036 0.036821 -0.021438 -0.011405 3C 1f0 0.192348 0.225499 0.001463 0.003453 -0.005969 -0.007967 3C 1f+1 -0.027458 -0.018827 -0.003449 -0.012239 0.011653 -0.002935 3C 1f-1 -0.070712 -0.073110 -0.003750 0.010698 0.007522 0.023787 3C 1f+2 0.519512 0.555267 -0.005498 0.031703 0.002321 -0.016813 3C 1f-2 0.394967 0.418146 -0.008999 0.031499 -0.005692 -0.005755 3C 1f+3 -0.254317 -0.278932 0.017941 -0.021999 -0.016645 -0.006211 3C 1f-3 0.087720 0.090847 0.009913 0.006359 -0.013276 -0.011952 4C 1s -0.009526 0.006284 0.000306 0.000850 -0.000416 0.000117 4C 2s 0.001100 -0.008189 -0.000052 0.000379 -0.001020 0.000699 4C 3s -1.524836 1.826762 0.097838 0.135760 0.003124 -0.044442 4C 4s 7.455516 -8.805900 -0.509816 -0.673202 0.015328 0.210911 4C 5s -1.025101 0.755662 -0.120689 0.127191 0.027718 0.038328 4C 1pz 0.256371 -0.207179 0.007483 -0.016337 -0.011562 0.006124 4C 1px 0.049653 -0.040169 -0.003163 0.002024 -0.001739 0.002178 4C 1py 0.167216 -0.138118 -0.000277 -0.014628 0.009574 -0.008644 4C 2pz -4.704916 4.104996 -0.067636 0.275287 0.076007 -0.015094 4C 2px -0.715184 0.680142 0.005690 -0.056590 -0.019160 -0.035747 4C 2py -3.039336 2.681512 -0.033404 0.155104 -0.006231 0.006975 4C 3pz 0.370924 1.975387 -0.020703 -0.120580 -0.017429 -0.019326 4C 3px 0.014529 0.392776 -0.036860 -0.066187 0.010228 -0.019902 4C 3py 0.220288 1.352317 -0.026076 -0.102539 -0.010706 -0.024217 4C 1dz2 0.143828 -0.119381 0.006156 0.005091 -0.006904 0.007688 4C 1dxz 0.055994 -0.010739 0.000098 0.000511 0.000716 -0.000948 4C 1dyz 0.256328 -0.263886 -0.004333 -0.009625 0.010148 -0.004384 4C 1dx2y2 -0.036613 -0.026096 -0.009359 -0.006558 0.003211 0.001003 4C 1dxy 0.075193 -0.099264 -0.008591 -0.007676 -0.011274 0.011218 4C 2dz2 1.125814 -1.085059 0.004733 -0.036999 -0.024272 0.023273 4C 2dxz 0.665591 -0.552265 0.069139 -0.029094 -0.065455 0.000486 4C 2dyz 1.831417 -1.801233 -0.021631 -0.137227 -0.016837 0.020181 4C 2dx2y2 -0.524896 0.427366 -0.057106 0.003549 -0.028417 0.036818 4C 2dxy 0.461523 -0.476392 -0.036451 -0.066043 0.029886 -0.014050 4C 1f0 -0.093709 0.104739 -0.006707 -0.006052 0.017972 -0.019965 4C 1f+1 -0.154649 0.184055 0.028566 0.026058 -0.002777 -0.008129 4C 1f-1 -0.528850 0.511539 -0.000819 0.028865 0.005053 -0.002300 4C 1f+2 0.264774 -0.290895 -0.009847 -0.019566 0.021905 -0.004743 4C 1f-2 -0.169081 0.161556 0.009982 0.010474 0.011260 -0.013385 4C 1f+3 -0.098431 0.082055 0.003348 0.014336 0.002888 -0.001031 4C 1f-3 -0.080479 0.101374 0.013577 0.029609 -0.001647 -0.000608 5C 1s -0.009029 -0.007054 -0.000230 -0.000687 0.000880 0.000301 5C 2s 0.000465 0.008234 -0.001125 0.000052 0.002192 0.000521 5C 3s -1.379581 -1.944714 0.093680 -0.147185 -0.032236 0.008740 5C 4s 6.761797 9.391066 -0.465528 0.726297 0.068257 -0.045927 5C 5s -0.951618 -0.821211 -0.089548 -0.219204 0.042946 0.040220 5C 1pz 0.137788 0.132237 -0.002475 0.008773 0.006710 -0.007848 5C 1px 0.088853 0.084311 0.006099 0.008358 0.005956 0.003801 5C 1py -0.239193 -0.226578 -0.000272 -0.022129 -0.003823 0.001959 5C 2pz -2.549853 -2.630358 0.035373 -0.178120 -0.086984 0.098321 5C 2px -1.529084 -1.520110 -0.044516 -0.097550 0.017987 -0.168098 5C 2py 4.336830 4.451257 -0.039288 0.323665 0.103801 -0.075762 5C 3pz 0.308693 -1.181444 0.003786 0.109722 -0.002728 0.042927 5C 3px 0.144631 -0.740552 0.000713 0.015211 0.005306 -0.032125 5C 3py -0.501601 1.940862 -0.006732 -0.178024 0.005080 -0.071905 5C 1dz2 -0.062916 -0.111794 0.002780 -0.012219 0.008648 -0.005621 5C 1dxz 0.059297 0.027716 0.006849 -0.005242 -0.015773 -0.009437 5C 1dyz -0.214637 -0.274942 0.005539 -0.003636 0.005617 0.011004 5C 1dx2y2 -0.116105 -0.069361 0.001439 0.003193 0.002698 -0.005985 5C 1dxy -0.124724 -0.126426 -0.002234 -0.005395 -0.000919 0.000682 5C 2dz2 -0.365735 -0.475402 0.050297 -0.064084 -0.029158 0.015710 5C 2dxz 0.588231 0.605264 -0.018607 0.032584 0.091267 -0.037658 5C 2dyz -1.455431 -1.698809 0.040080 -0.134145 -0.036138 -0.028554 5C 2dx2y2 -1.046248 -1.092630 -0.035701 -0.064044 -0.021597 -0.036009 5C 2dxy -1.018757 -1.145844 0.028751 -0.085131 -0.048000 0.102117 5C 1f0 0.280603 0.302554 0.007214 0.007486 0.009156 -0.028802 5C 1f+1 -0.019413 -0.051731 0.007184 -0.005298 0.004630 0.020764 5C 1f-1 0.057944 0.068793 -0.009121 -0.003581 0.011598 -0.021219 5C 1f+2 0.313470 0.355711 -0.018132 0.026576 0.005183 0.017817 5C 1f-2 0.269151 0.330761 0.000930 0.022393 -0.007564 0.013623 5C 1f+3 -0.291779 -0.352946 0.002493 -0.024128 -0.005408 0.022175 5C 1f-3 0.150548 0.207519 -0.024366 0.032805 -0.005722 0.000988 6C 1s -0.009081 -0.007013 -0.000201 0.000722 -0.000908 0.000020 6C 2s 0.000475 0.008224 -0.001105 0.000036 -0.002211 -0.000185 6C 3s -1.390437 -1.935902 0.097830 0.144155 0.029397 0.019830 6C 4s 6.814439 9.347232 -0.486688 -0.712986 -0.059287 -0.072454 6C 5s -0.951098 -0.826549 -0.087495 0.218438 -0.056739 0.028160 6C 1pz -0.138445 -0.131885 0.002415 0.008322 0.003947 0.009632 6C 1px -0.089113 -0.083871 -0.005865 0.008752 0.006482 -0.001571 6C 1py 0.240331 0.225771 -0.000020 -0.021663 -0.003023 -0.003247 6C 2pz 2.562537 2.626184 -0.033752 -0.170203 -0.050430 -0.122804 6C 2px 1.529381 1.505716 0.036987 -0.101041 -0.034694 0.163946 6C 2py -4.356593 -4.440122 0.040154 0.312847 0.072710 0.108188 6C 3pz -0.309944 1.180643 0.000013 0.113582 0.010898 -0.040480 6C 3px -0.144999 0.741185 -0.001381 0.014692 -0.005573 0.031745 6C 3py 0.503264 -1.940987 0.000930 -0.183966 -0.017882 0.068441 6C 1dz2 -0.063802 -0.111537 0.003173 0.012356 -0.006037 -0.007845 6C 1dxz 0.059134 0.028018 0.007271 0.005282 0.017526 -0.004190 6C 1dyz -0.215715 -0.273864 0.005868 0.003566 -0.008682 0.008807 6C 1dx2y2 -0.116056 -0.069410 0.001501 -0.003549 -0.001225 -0.006562 6C 1dxy -0.125352 -0.126698 -0.002446 0.005093 0.000514 0.000907 6C 2dz2 -0.370251 -0.473849 0.052040 0.062688 0.022726 0.024540 6C 2dxz 0.591749 0.606415 -0.016572 -0.029208 -0.072336 -0.064638 6C 2dyz -1.463085 -1.689542 0.043288 0.132057 0.044116 -0.014640 6C 2dx2y2 -1.047757 -1.087892 -0.035243 0.062531 0.031102 -0.026857 6C 2dxy -1.027004 -1.146379 0.027472 0.080780 0.012960 0.113321 6C 1f0 -0.282291 -0.302370 -0.007699 0.007207 -0.000354 0.030464 6C 1f+1 0.020412 0.051924 -0.007013 -0.005229 0.010541 -0.018477 6C 1f-1 -0.058328 -0.068613 0.008752 -0.004208 0.004312 0.023697 6C 1f+2 -0.315138 -0.354227 0.018895 0.025304 0.010447 -0.015204 6C 1f-2 -0.270175 -0.328384 0.000134 0.022804 -0.002401 -0.014959 6C 1f+3 0.294067 0.351951 -0.002795 -0.024334 0.001708 -0.022883 6C 1f-3 -0.151819 -0.206386 0.025717 0.031751 -0.004682 -0.002379 7C 1s -0.009555 0.006311 0.000278 -0.000901 0.000360 0.000238 7C 2s 0.001090 -0.008192 -0.000035 -0.000458 0.000746 0.000978 7C 3s -1.528179 1.831665 0.090635 -0.138544 0.011803 -0.043313 7C 4s 7.472021 -8.829278 -0.474819 0.690266 -0.084824 0.196057 7C 5s -1.030654 0.760572 -0.130884 -0.121079 -0.038451 0.027989 7C 1pz -0.256523 0.207412 -0.008622 -0.015722 -0.008976 -0.009371 7C 1px -0.049095 0.039736 0.002905 0.002280 -0.001208 -0.002858 7C 1py -0.168502 0.139234 -0.000621 -0.014461 0.006427 0.011062 7C 2pz 4.713387 -4.113547 0.085006 0.264530 0.063595 0.038006 7C 2px 0.696762 -0.664954 0.002718 -0.062243 -0.020689 0.030060 7C 2py 3.060560 -2.701533 0.047123 0.148292 -0.002858 -0.007326 7C 3pz -0.376121 -1.971370 0.013889 -0.126268 -0.023451 0.014063 7C 3px -0.013740 -0.391111 0.034520 -0.069775 0.005237 0.020306 7C 3py -0.224422 -1.353543 0.020712 -0.107824 -0.017857 0.019897 7C 1dz2 0.142960 -0.118741 0.006329 -0.005605 0.004253 0.009428 7C 1dxz 0.056259 -0.010764 -0.000390 -0.000734 -0.000519 -0.001460 7C 1dyz 0.257709 -0.265181 -0.004015 0.009818 -0.008290 -0.007162 7C 1dx2y2 -0.037679 -0.025556 -0.009027 0.007055 -0.003440 -0.000205 7C 1dxy 0.075646 -0.099728 -0.008712 0.008325 0.007055 0.014056 7C 2dz2 1.116672 -1.076429 0.010953 0.032862 0.018167 0.030299 7C 2dxz 0.667464 -0.553120 0.069820 0.025101 0.058024 0.019706 7C 2dyz 1.841091 -1.811951 -0.012886 0.135453 0.009375 0.025100 7C 2dx2y2 -0.532942 0.435438 -0.059095 0.000740 0.015267 0.043371 7C 2dxy 0.466083 -0.480335 -0.035228 0.068659 -0.027403 -0.023320 7C 1f0 0.090212 -0.101506 0.006905 -0.006221 0.011250 0.024435 7C 1f+1 0.152863 -0.182423 -0.027283 0.026829 -0.005535 0.006594 7C 1f-1 0.530531 -0.513245 0.002390 0.028453 0.003712 0.003873 7C 1f+2 -0.266879 0.293255 0.008476 -0.020204 0.018331 0.010773 7C 1f-2 0.168254 -0.161017 -0.009144 0.010097 0.006872 0.016350 7C 1f+3 0.099623 -0.083013 -0.003170 0.014149 0.001196 0.001812 7C 1f-3 0.083136 -0.104006 -0.013087 0.030554 -0.003010 -0.000179 8C 1s 0.016295 0.014526 0.000175 -0.000469 -0.000361 -0.000804 8C 2s 0.004374 -0.001533 0.000835 0.000753 -0.000702 -0.000850 8C 3s 1.617172 1.878711 -0.048792 -0.133205 0.002399 -0.030493 8C 4s -8.378515 -9.531142 0.202768 0.658418 0.070059 0.184812 8C 5s 2.897293 0.456643 0.010975 -0.435034 0.023819 -0.009574 8C 1pz -0.111171 -0.142586 0.004947 0.009921 -0.003636 0.001827 8C 1px -0.060687 -0.079179 -0.000472 0.003672 -0.007004 -0.003107 8C 1py 0.171009 0.224687 -0.012107 -0.017417 -0.001479 -0.001186 8C 2pz 2.512629 2.915565 -0.037203 -0.162364 0.006415 -0.075943 8C 2px 1.491523 1.697624 0.020792 -0.122978 0.093897 0.015257 8C 2py -4.037545 -4.684326 0.147991 0.347833 0.147827 0.049913 8C 3pz -0.176043 0.135708 -0.013186 0.032355 -0.006182 -0.002124 8C 3px -0.051061 0.229259 -0.005191 0.048139 -0.008033 -0.022304 8C 3py 0.175441 -0.452802 0.016136 -0.050478 -0.002004 0.004478 8C 1dz2 0.062085 0.068791 -0.002122 0.000676 0.000143 -0.007437 8C 1dxz -0.086893 -0.101667 0.010500 0.012955 0.008219 0.001479 8C 1dyz 0.241442 0.270411 0.001400 -0.015664 -0.005313 0.003985 8C 1dx2y2 0.178768 0.199957 0.006121 -0.002563 0.005446 -0.007960 8C 1dxy 0.163522 0.184447 -0.009931 -0.014070 -0.008505 -0.005905 8C 2dz2 0.244316 0.292183 -0.024237 -0.027681 -0.040765 0.009726 8C 2dxz -0.467589 -0.547906 0.048408 0.031977 0.097119 -0.007625 8C 2dyz 1.141425 1.283328 -0.044565 -0.134995 -0.018335 0.002360 8C 2dx2y2 0.932699 1.071904 -0.011129 -0.052966 0.008647 -0.043784 8C 2dxy 0.795277 0.917342 0.001304 -0.035453 0.022272 -0.004899 8C 1f0 -0.192226 -0.223291 -0.001381 0.003201 -0.007396 0.005789 8C 1f+1 0.023470 0.014944 0.003226 -0.012085 0.009613 0.006261 8C 1f-1 0.070197 0.072091 0.004349 0.010832 0.014003 -0.020365 8C 1f+2 -0.521139 -0.552598 0.006083 0.031210 -0.003034 0.017084 8C 1f-2 -0.400225 -0.420487 0.009532 0.030856 -0.007081 0.004412 8C 1f+3 0.254201 0.276776 -0.018171 -0.020832 -0.016671 0.000708 8C 1f-3 -0.089257 -0.091854 -0.010088 0.006793 -0.015753 0.007560 9C 1s 0.017341 -0.013261 0.000358 0.000689 0.000152 -0.000001 9C 2s 0.004186 0.001905 0.000846 -0.000238 0.000261 -0.000258 9C 3s 1.756803 -1.756882 -0.027424 0.121255 -0.006883 0.015703 9C 4s -9.074520 8.893797 0.066151 -0.594237 -0.001322 -0.081080 9C 5s 2.961517 -0.257140 0.041755 0.345478 0.054204 -0.011069 9C 1pz -0.190904 0.214489 0.008904 -0.014482 0.007709 0.005989 9C 1px -0.026804 0.031689 0.005050 -0.009393 0.002296 0.000376 9C 1py -0.129816 0.145367 0.002938 -0.008843 -0.005355 -0.013133 9C 2pz 4.413818 -4.414440 -0.053989 0.273249 -0.062141 -0.079490 9C 2px 0.744085 -0.728163 -0.047123 0.104528 -0.013545 0.014748 9C 2py 2.994620 -3.002124 0.028338 0.167545 0.122218 0.242088 9C 3pz -0.173993 -0.427150 -0.007823 -0.057185 -0.002983 0.034403 9C 3px 0.035327 -0.203458 -0.016732 0.009411 -0.003327 -0.003983 9C 3py -0.134942 -0.254017 -0.019623 -0.011344 -0.022881 -0.037510 9C 1dz2 -0.192757 0.186827 0.000749 -0.018674 -0.003204 -0.007817 9C 1dxz -0.096336 0.097421 -0.008988 0.004153 -0.001235 -0.000986 9C 1dyz -0.300996 0.291552 0.000301 -0.012090 -0.001503 -0.003717 9C 1dx2y2 0.085301 -0.083287 -0.000272 0.001268 -0.000077 -0.001786 9C 1dxy -0.066968 0.064728 -0.004912 0.004817 0.001397 0.004965 9C 2dz2 -0.972723 0.962687 0.002175 -0.054146 0.008344 -0.006520 9C 2dxz -0.501710 0.519936 -0.025396 -0.023076 -0.029197 -0.052892 9C 2dyz -1.441560 1.411193 0.019612 -0.102637 -0.021121 -0.051457 9C 2dx2y2 0.492876 -0.489015 -0.000083 0.003638 -0.023712 -0.059671 9C 2dxy -0.267114 0.267670 0.041238 -0.032882 0.066514 0.115207 9C 1f0 0.144650 -0.130432 0.000185 0.020008 0.003001 0.019902 9C 1f+1 0.122914 -0.111694 -0.001950 0.014033 -0.013508 -0.024561 9C 1f-1 0.541572 -0.509494 -0.006356 0.028099 -0.004623 -0.006256 9C 1f+2 -0.405499 0.359923 0.006313 -0.022995 -0.005131 -0.014228 9C 1f-2 0.365146 -0.334170 0.006912 0.017941 0.000255 0.006550 9C 1f+3 -0.105123 0.081316 0.009588 -0.010799 0.010814 0.023705 9C 1f-3 -0.020935 0.024469 -0.003983 -0.000274 0.001361 0.004903 10H 1s 0.147338 -0.107357 -0.009065 -0.021031 -0.006361 0.010930 10H 2s 0.109463 -0.072678 -0.034377 -0.050136 -0.018497 0.035997 10H 3s -0.373891 0.214385 -0.002560 0.034396 0.013223 -0.015824 10H 1pz 0.128221 -0.107872 -0.006604 -0.019399 -0.013505 0.016416 10H 1px -0.073645 0.047803 0.009403 0.017809 0.000901 -0.006490 10H 1py 0.059001 -0.050583 -0.010542 -0.010782 0.014096 -0.011982 11H 1s 0.209716 -0.189160 0.012866 -0.004581 -0.021300 0.020131 11H 2s 0.293291 -0.285961 0.051848 -0.002782 -0.121392 0.111586 11H 3s -0.522067 0.420332 -0.014534 0.032210 0.052928 -0.051180 11H 1pz 0.162832 -0.144514 0.010385 -0.011264 -0.031603 0.028947 11H 1px 0.136433 -0.128244 0.010260 -0.001711 -0.015308 0.013438 11H 1py -0.032168 0.032925 -0.007814 -0.000887 0.020206 -0.021365 12H 1s 0.185514 -0.156585 -0.005706 -0.004968 0.029027 -0.031470 12H 2s 0.206829 -0.185334 -0.047129 -0.010531 0.167353 -0.161387 12H 3s -0.469953 0.338320 0.020692 0.052953 -0.054808 0.067434 12H 1pz 0.033558 -0.030251 0.002718 -0.001326 -0.008429 0.011206 12H 1px 0.092730 -0.084124 -0.001039 0.000345 0.018360 -0.020144 12H 1py 0.160794 -0.136615 -0.014854 -0.009502 0.050784 -0.048116 13H 1s 0.141495 0.123562 0.008990 0.015881 -0.021804 -0.008148 13H 2s 0.113339 0.087440 0.021342 0.036809 -0.087066 -0.016123 13H 3s -0.362996 -0.244991 0.000782 -0.066597 0.027085 0.004169 13H 1pz 0.097388 0.088730 0.002408 0.014497 -0.011675 0.001255 13H 1px -0.050497 -0.036822 -0.008251 -0.007029 0.024377 0.010067 13H 1py -0.104676 -0.105882 -0.008100 -0.006259 0.018720 0.003325 14H 1s 0.160417 0.158599 -0.016668 0.018200 0.024416 0.008172 14H 2s 0.150583 0.178229 -0.071687 0.028451 0.130239 0.041818 14H 3s -0.406372 -0.355787 0.019883 -0.037213 -0.039240 0.000835 14H 1pz 0.077007 0.077319 -0.015891 0.017352 0.019334 0.006657 14H 1px 0.134114 0.142878 -0.022511 0.014113 0.038348 0.007188 14H 1py -0.046802 -0.050373 0.001119 -0.005258 -0.001939 0.002980 15H 1s 0.197520 0.210374 0.006298 -0.002991 -0.009494 -0.022038 15H 2s 0.294599 0.324215 0.030687 -0.039719 -0.052431 -0.080849 15H 3s -0.501712 -0.471699 -0.005860 -0.035096 0.016422 0.027084 15H 1pz -0.075348 -0.086156 -0.006389 0.010642 0.009830 0.017028 15H 1px 0.062213 0.067357 -0.003093 0.000154 0.010098 -0.002049 15H 1py -0.180794 -0.187186 -0.006600 -0.000582 0.018377 0.029446 16H 1s 0.004475 0.012416 0.001557 -0.001869 0.002132 -0.006105 16H 2s -0.005651 0.052017 0.000127 -0.030083 0.000166 -0.010060 16H 3s -0.002943 -0.016395 -0.012735 -0.002066 0.000621 0.000641 16H 1pz -0.003988 0.027335 -0.001589 -0.013131 0.001075 -0.007072 16H 1px 0.008739 -0.002658 0.015542 0.001871 0.003302 -0.003078 16H 1py -0.002923 0.015219 0.009523 0.012530 0.003317 -0.006028 17H 1s 0.006035 -0.012383 -0.002600 -0.005795 -0.002287 0.005117 17H 2s -0.001347 -0.044524 -0.013693 -0.043413 -0.006384 0.020097 17H 3s -0.008994 0.013893 -0.012318 -0.000434 -0.006819 0.015860 17H 1pz -0.006129 0.015332 -0.002763 0.015103 -0.001096 0.002468 17H 1px 0.005811 0.016161 0.020058 0.017222 0.008545 -0.019418 17H 1py -0.000583 -0.016089 0.006136 0.006729 0.000044 0.003301 18H 1s 0.005953 -0.012162 -0.002114 0.005789 0.000753 0.005439 18H 2s -0.001439 -0.044028 -0.012314 0.043991 0.000067 0.021874 18H 3s -0.008988 0.013659 -0.012251 0.001422 0.001561 0.017228 18H 1pz 0.006122 -0.015744 0.003568 0.014900 0.000016 -0.002400 18H 1px -0.005959 -0.015994 -0.019525 0.018048 0.001993 0.021293 18H 1py 0.000734 0.015103 -0.006208 0.007627 0.000886 -0.002874 19H 1s 0.004631 0.012210 0.001357 0.002012 -0.000170 -0.006398 19H 2s -0.005644 0.051930 0.002149 0.029082 0.002313 -0.008285 19H 3s -0.002809 -0.016524 -0.012597 0.001908 -0.001511 0.000866 19H 1pz 0.003797 -0.026663 0.001138 -0.013209 -0.000974 0.006344 19H 1px -0.008786 0.002891 -0.015277 0.002077 0.001501 0.004101 19H 1py 0.002879 -0.016047 -0.009168 0.012756 0.001282 0.006928 20H 1s 0.198370 0.209628 0.006403 0.003006 0.015522 -0.018141 20H 2s 0.295239 0.321513 0.032356 0.039507 0.073166 -0.060894 20H 3s -0.504291 -0.468875 -0.004780 0.034852 -0.023337 0.021266 20H 1pz 0.075651 0.085579 0.006716 0.010509 0.014418 -0.013195 20H 1px -0.063869 -0.068620 0.002958 -0.000145 0.008103 0.005319 20H 1py 0.181027 0.185658 0.006825 -0.000528 0.025873 -0.022517 21H 1s 0.162043 0.159451 -0.017128 -0.017362 -0.024233 0.000066 21H 2s 0.153757 0.180424 -0.072270 -0.026003 -0.129822 -0.000768 21H 3s -0.410030 -0.357002 0.020536 0.036553 0.034186 0.013525 21H 1pz -0.078503 -0.078302 0.016471 0.016846 0.019736 -0.000121 21H 1px -0.135283 -0.143296 0.022730 0.013068 0.036351 0.005169 21H 1py 0.046535 0.049452 -0.001170 -0.005137 -0.000869 -0.003508 22H 1s 0.141880 0.123309 0.008711 -0.016369 0.022173 -0.001370 22H 2s 0.113421 0.087293 0.020758 -0.038000 0.082555 0.010870 22H 3s -0.363911 -0.244204 0.002227 0.066299 -0.025313 -0.003604 22H 1pz -0.097405 -0.088437 -0.002198 0.014619 -0.009790 -0.004571 22H 1px 0.050536 0.036884 0.008189 -0.007433 0.025053 -0.002263 22H 1py 0.105503 0.105890 0.008165 -0.006586 0.017869 0.002483 23H 1s 0.187638 -0.158969 -0.005218 0.005450 -0.017811 -0.038674 23H 2s 0.211333 -0.191130 -0.045914 0.013157 -0.109036 -0.204134 23H 3s -0.474487 0.344861 0.017900 -0.054367 0.031532 0.080239 23H 1pz -0.032361 0.028934 -0.002915 -0.001166 -0.004462 -0.013393 23H 1px -0.091750 0.083659 0.000673 0.000308 0.010594 0.023323 23H 1py -0.163934 0.140024 0.014204 -0.010394 0.033790 0.061728 24H 1s 0.210039 -0.189189 0.013096 0.004161 0.014090 0.026583 24H 2s 0.291314 -0.284056 0.052014 0.000042 0.081825 0.147719 24H 3s -0.521911 0.419876 -0.016498 -0.031823 -0.034176 -0.066166 24H 1pz -0.161794 0.143521 -0.010934 -0.010555 -0.020975 -0.037828 24H 1px -0.138184 0.129892 -0.010681 -0.001270 -0.011051 -0.019393 24H 1py 0.029874 -0.030612 0.007434 -0.001171 0.012405 0.026671 25H 1s 0.148340 -0.108074 -0.008265 0.021247 0.001918 0.011284 25H 2s 0.111480 -0.073719 -0.033593 0.051072 0.004549 0.036147 25H 3s -0.376117 0.215691 -0.004397 -0.034358 -0.007249 -0.017067 25H 1pz -0.129303 0.108591 0.006051 -0.019493 -0.007524 -0.019361 25H 1px 0.074427 -0.048244 -0.008999 0.018021 -0.001903 0.005092 25H 1py -0.059113 0.050947 0.010002 -0.010941 0.009743 0.016039 26O 1s 0.000248 0.002083 0.000427 -0.000189 0.000025 0.000027 26O 2s 0.000069 0.008686 0.001799 -0.000105 0.000199 -0.000001 26O 3s 0.070670 -0.177452 -0.029166 -0.016746 -0.002248 0.002551 26O 4s -0.249001 0.610173 0.082803 0.063225 0.005564 -0.008337 26O 5s 0.131287 -0.795235 0.182769 0.251182 -0.012301 -0.030485 26O 1pz -0.019686 0.035560 0.007467 0.007498 -0.005548 0.004470 26O 1px 0.020024 -0.000677 0.001766 0.004822 -0.004117 0.004657 26O 1py -0.010569 0.020002 -0.003285 -0.002190 0.011066 -0.010833 26O 2pz 0.028949 -0.101784 -0.033441 -0.032455 0.019493 -0.012909 26O 2px 0.126221 -0.281950 -0.051756 -0.084144 0.012217 -0.006567 26O 2py 0.082376 -0.169791 -0.017092 -0.027429 -0.031925 0.036165 26O 3pz 0.117159 -0.410615 0.006491 0.075155 -0.007161 0.030598 26O 3px 0.010070 -0.134581 -0.089581 0.004054 -0.006110 0.041580 26O 3py 0.069145 -0.287537 -0.032009 0.010736 0.025298 -0.034541 26O 1dz2 -0.016556 0.020909 -0.000176 0.005940 -0.010688 0.010380 26O 1dxz 0.009777 -0.014301 0.004870 0.006512 -0.006693 0.003412 26O 1dyz 0.000526 0.015243 0.006606 0.007404 0.001530 -0.006239 26O 1dx2y2 0.005002 -0.010024 0.002805 -0.000492 -0.007377 0.003968 26O 1dxy 0.013441 -0.015868 0.001714 0.000295 0.003068 0.003364 26O 2dz2 0.028061 -0.082411 -0.014555 -0.012639 0.005929 -0.000811 26O 2dxz 0.002983 -0.004676 0.019135 0.017000 -0.002681 -0.000270 26O 2dyz -0.008629 -0.006761 0.011834 0.012316 -0.002413 0.001164 26O 2dx2y2 -0.046782 0.100901 0.012946 0.016157 -0.004689 0.000389 26O 2dxy -0.046970 0.086240 0.019082 0.024468 0.008654 -0.008694 26O 1f0 -0.012267 0.015540 0.112441 0.070963 -0.431876 0.366668 26O 1f+1 0.015016 -0.032777 -0.058799 -0.043408 0.098837 -0.063952 26O 1f-1 -0.017253 0.014393 0.051320 0.081107 -0.008384 -0.024326 26O 1f+2 -0.004747 0.020371 0.060358 0.048215 -0.205852 0.178198 26O 1f-2 0.043935 -0.040804 0.071641 0.024201 -0.273089 0.231282 26O 1f+3 -0.009377 0.005286 0.023578 0.033760 -0.037592 0.016634 26O 1f-3 -0.032682 0.010338 0.017232 -0.007491 -0.062806 0.055709 27O 1s 0.000524 -0.001899 0.000282 0.000029 -0.000592 0.000401 27O 2s 0.001516 -0.008036 0.001319 -0.000008 -0.002129 0.002042 27O 3s 0.041464 0.175330 -0.021438 0.008955 0.021623 -0.037037 27O 4s -0.139435 -0.605666 0.062322 -0.026347 -0.053469 0.158593 27O 5s 0.135135 0.778024 0.210372 -0.141286 0.050316 -0.059911 27O 1pz -0.017806 -0.026159 -0.008986 -0.002941 0.007417 0.003723 27O 1px 0.021545 -0.003872 0.005564 -0.005352 0.000520 -0.004677 27O 1py 0.013257 0.035552 0.001418 -0.001873 0.002356 0.000587 27O 2pz 0.018801 0.042627 0.031206 0.004890 -0.029569 -0.011931 27O 2px 0.071418 0.322496 -0.057485 0.055658 0.004435 -0.058243 27O 2py -0.023306 -0.137366 0.000573 -0.003110 -0.002325 0.009427 27O 3pz 0.047558 0.239379 0.025344 -0.050451 0.006729 -0.015009 27O 3px -0.009321 0.210410 -0.109648 0.029071 0.014354 -0.047292 27O 3py -0.107956 -0.419776 0.002690 0.018531 -0.017030 0.048296 27O 1dz2 -0.006566 -0.004469 0.003537 -0.001599 0.004772 0.007018 27O 1dxz 0.005242 0.005051 -0.003654 -0.004645 0.003568 -0.001444 27O 1dyz 0.005116 0.019793 -0.005596 0.006267 -0.005821 0.003595 27O 1dx2y2 0.014277 0.027159 -0.006450 0.004682 -0.003048 0.004592 27O 1dxy -0.009076 -0.011189 0.001725 -0.001030 0.000578 -0.003844 27O 2dz2 0.025951 0.076269 -0.006323 0.010001 -0.002119 -0.014570 27O 2dxz 0.007455 0.027077 -0.015060 0.007801 0.009839 0.010944 27O 2dyz 0.010744 -0.008125 -0.006410 0.000300 0.003182 -0.004022 27O 2dx2y2 -0.033931 -0.134955 0.012763 -0.020791 -0.001373 0.019639 27O 2dxy 0.011649 0.026446 -0.000092 -0.000571 0.004974 -0.012296 27O 1f0 0.014117 0.021835 -0.006787 -0.011889 0.003864 0.090745 27O 1f+1 -0.027716 -0.013772 0.035964 0.002429 -0.115168 -0.037826 27O 1f-1 0.023373 0.022799 0.091958 0.042812 -0.319597 -0.004233 27O 1f+2 0.005331 0.008783 -0.016368 0.015676 0.005855 0.089132 27O 1f-2 -0.033278 -0.048277 0.004755 0.011841 -0.015986 -0.018316 27O 1f+3 0.002423 0.025068 -0.034827 -0.000419 0.078514 0.011010 27O 1f-3 0.028121 0.017141 -0.014488 -0.006184 0.047659 -0.027259 28O 1s 0.000713 0.001664 0.000353 -0.000092 0.000189 -0.000152 28O 2s 0.003285 0.006188 0.001661 -0.000494 0.000341 -0.000664 28O 3s 0.001604 -0.128165 -0.027595 0.002198 0.004178 0.010564 28O 4s 0.066766 0.387509 0.081892 -0.007456 -0.039238 -0.032608 28O 5s 0.253437 -0.855614 0.261249 0.048529 -0.026441 -0.071801 28O 1pz 0.003874 0.026821 -0.001013 0.002990 0.000404 -0.006489 28O 1px -0.036006 0.022853 -0.010829 0.001010 0.002171 -0.001503 28O 1py -0.014603 0.025663 0.001876 -0.003620 -0.005156 0.007241 28O 2pz -0.023218 -0.186250 -0.031888 -0.015230 0.012827 0.033563 28O 2px 0.055154 0.102277 0.074517 0.008490 -0.028397 -0.010559 28O 2py 0.017734 -0.080168 -0.010619 0.009634 0.025692 -0.024542 28O 3pz 0.143892 -0.426579 -0.031143 -0.006176 -0.001501 0.000764 28O 3px 0.134442 -0.089236 0.105548 0.031466 -0.012692 -0.052681 28O 3py 0.114222 -0.291228 0.023185 -0.026704 0.002080 0.045059 28O 1dz2 -0.002556 0.003888 -0.000075 0.005741 0.004195 -0.000250 28O 1dxz -0.012098 0.022624 0.007828 0.002482 0.003683 -0.007691 28O 1dyz -0.005995 0.017146 0.005845 -0.001022 0.000692 -0.004072 28O 1dx2y2 0.004931 -0.005248 -0.001099 -0.002994 0.010055 -0.011209 28O 1dxy -0.007760 0.014875 0.004114 0.004289 -0.007282 0.011185 28O 2dz2 -0.005081 -0.006757 -0.003417 -0.007084 0.006405 -0.004529 28O 2dxz 0.007265 -0.093266 -0.013414 -0.005596 0.005207 0.009332 28O 2dyz -0.011894 0.001576 0.008970 -0.008316 -0.006729 0.000998 28O 2dx2y2 -0.008909 0.069552 0.018858 0.011650 -0.008573 -0.003107 28O 2dxy -0.005428 -0.010362 -0.000145 0.004181 0.013122 -0.006568 28O 1f0 0.018989 -0.026907 -0.014648 0.016359 0.008053 -0.029286 28O 1f+1 -0.024467 0.009163 -0.020301 0.032167 0.045748 -0.051051 28O 1f-1 0.036577 -0.034946 -0.033983 0.008285 0.054954 -0.054083 28O 1f+2 0.020771 0.001754 -0.050544 0.026761 0.146108 -0.144947 28O 1f-2 -0.037255 0.034999 -0.019891 -0.005417 0.053573 -0.054919 28O 1f+3 0.011974 -0.004909 0.078046 -0.004340 -0.201018 0.171942 28O 1f-3 0.023338 -0.037808 -0.003932 0.001529 0.050497 -0.033160 29O 1s 0.001879 0.000041 0.000113 -0.001072 -0.000141 0.000109 29O 2s 0.006076 0.000095 0.000421 -0.003232 -0.000435 0.000328 29O 3s -0.056024 0.000075 -0.006247 0.025372 0.003689 -0.002166 29O 4s 0.133029 -0.001230 0.029309 -0.052587 -0.008186 0.000492 29O 5s -0.192720 -0.007232 -0.060611 0.144306 0.016094 0.001769 29O 1pz -0.002732 -0.011503 -0.001431 0.002785 -0.001782 0.004897 29O 1px 0.013126 -0.003387 0.001237 -0.010579 0.000529 -0.000184 29O 1py -0.000828 -0.000075 0.001073 0.001022 0.002771 -0.002063 29O 2pz 0.001729 0.062359 0.008915 -0.003908 0.007641 -0.022822 29O 2px -0.029632 0.019794 -0.001438 0.032974 0.000801 -0.004412 29O 2py -0.000330 -0.001218 -0.003562 -0.008702 -0.007485 0.006440 29O 3pz -0.014405 0.005001 -0.010272 0.004208 -0.001138 0.001763 29O 3px 0.068772 0.005313 0.039477 -0.018990 -0.002291 -0.009569 29O 3py 0.008345 -0.002914 -0.015171 -0.059798 0.005112 -0.002919 29O 1dz2 -0.000533 -0.001661 0.007852 0.006234 0.002122 -0.006738 29O 1dxz -0.002764 0.000141 0.008024 0.009261 0.000962 0.000636 29O 1dyz -0.002605 -0.006058 -0.007286 -0.003807 -0.002804 0.008592 29O 1dx2y2 0.003879 -0.000472 -0.001023 -0.008571 -0.001269 0.004030 29O 1dxy 0.004318 -0.001651 0.012875 0.007123 0.004379 -0.008024 29O 2dz2 0.003137 -0.016414 -0.001694 -0.002065 -0.000988 0.002737 29O 2dxz 0.000536 0.012540 0.013106 0.012748 0.003415 -0.007865 29O 2dyz 0.000074 -0.026855 -0.003388 -0.000349 -0.003052 0.009911 29O 2dx2y2 -0.000593 0.003392 -0.026540 -0.028417 -0.003875 0.006412 29O 2dxy 0.003989 -0.011147 0.003044 -0.004052 -0.000559 0.003021 29O 1f0 0.002410 -0.001621 0.173551 0.178232 0.026259 -0.037715 29O 1f+1 -0.000003 -0.011938 -0.144993 -0.148761 -0.021232 0.028397 29O 1f-1 -0.003992 -0.004044 -0.274051 -0.270017 -0.040465 0.064591 29O 1f+2 -0.013967 0.007912 -0.314610 -0.298551 -0.045787 0.079467 29O 1f-2 -0.005297 0.002237 0.070126 0.088086 0.007808 -0.007096 29O 1f+3 -0.017124 -0.005364 -0.135143 -0.095286 -0.021279 0.044116 29O 1f-3 -0.000504 -0.000978 0.439502 0.456161 0.059715 -0.084543 30O 1s 0.000773 -0.001743 0.000047 0.000808 -0.000347 -0.000596 30O 2s 0.003191 -0.006471 0.000276 0.002552 -0.000960 -0.002680 30O 3s 0.004586 0.134694 -0.008647 -0.015004 0.001587 0.040498 30O 4s 0.040975 -0.403308 0.022710 0.029773 0.036117 -0.150595 30O 5s 0.122366 0.887253 0.086487 -0.182967 0.081579 -0.048824 30O 1pz 0.000281 -0.013726 0.005073 -0.006891 -0.002913 -0.001162 30O 1px -0.033105 -0.031134 0.007872 -0.005936 -0.002078 -0.004221 30O 1py 0.000250 0.028412 0.000200 0.001955 -0.005806 -0.006626 30O 2pz 0.006231 0.135498 -0.029666 0.040790 -0.003526 0.036763 30O 2px 0.031879 -0.074864 -0.009434 -0.011235 0.029556 -0.037270 30O 2py 0.007647 -0.165631 0.019242 -0.030110 0.038709 -0.021846 30O 3pz 0.037606 0.250425 -0.021640 -0.065628 -0.006315 0.036032 30O 3px 0.118957 0.173798 0.046670 -0.005913 0.026314 -0.056684 30O 3py -0.112377 -0.449716 0.009983 0.058232 0.004822 -0.035512 30O 1dz2 0.005913 0.008086 -0.000283 -0.003020 -0.002431 -0.004424 30O 1dxz -0.006155 -0.017749 -0.002726 -0.001047 -0.003336 0.004764 30O 1dyz -0.002513 0.008066 -0.005629 0.007815 0.003840 0.001437 30O 1dx2y2 0.005238 0.002982 -0.002777 0.007772 -0.005958 0.001652 30O 1dxy 0.012143 0.026845 -0.001096 0.004800 -0.001857 -0.000210 30O 2dz2 0.006532 0.019093 0.004255 -0.000975 -0.007635 0.004136 30O 2dxz 0.012359 0.074063 -0.011699 0.009484 0.000882 0.014280 30O 2dyz 0.016357 0.038342 -0.013977 0.013405 -0.001459 0.020365 30O 2dx2y2 -0.004024 -0.045328 -0.010872 0.004691 0.002660 0.007534 30O 2dxy 0.000713 -0.069464 0.008676 -0.009849 0.014827 -0.011612 30O 1f0 -0.029826 -0.020537 -0.067232 0.055230 0.082811 0.015415 30O 1f+1 0.016450 0.030661 -0.019849 0.028224 -0.031453 -0.109186 30O 1f-1 -0.012389 -0.021674 -0.047018 0.026174 0.141062 0.143704 30O 1f+2 -0.019906 -0.028685 0.016524 0.025165 -0.133105 -0.132161 30O 1f-2 0.043958 0.030425 -0.079912 0.078741 0.108434 0.057381 30O 1f+3 -0.005239 0.005316 -0.044297 0.018079 0.132960 0.115063 30O 1f-3 -0.019817 -0.040077 0.021594 -0.054200 0.025965 0.023823 31O 1s 0.000777 -0.001730 0.000063 -0.000785 0.000535 -0.000474 31O 2s 0.003204 -0.006377 0.000363 -0.002450 0.001821 -0.002305 31O 3s 0.004642 0.132479 -0.010411 0.013744 -0.015177 0.038515 31O 4s 0.041948 -0.395188 0.028508 -0.026212 0.016118 -0.155670 31O 5s 0.121420 0.898368 0.098903 0.191868 -0.059167 -0.069604 31O 1pz -0.000165 0.013205 -0.005459 -0.006881 -0.002801 0.000243 31O 1px 0.033246 0.031548 -0.007762 -0.005235 -0.003102 0.003218 31O 1py -0.000573 -0.027944 -0.000229 0.001873 -0.007283 0.004604 31O 2pz -0.006538 -0.131471 0.032839 0.041324 0.007767 -0.036028 31O 2px -0.032198 0.069932 0.006303 -0.014546 0.014707 0.044899 31O 2py -0.006722 0.161654 -0.021400 -0.030347 0.028247 0.032230 31O 3pz -0.039412 -0.248749 0.020961 -0.063939 0.008234 -0.036385 31O 3px -0.118537 -0.178609 -0.049677 -0.008535 0.006228 0.061709 31O 3py 0.114813 0.448188 -0.010975 0.055830 -0.006700 0.035877 31O 1dz2 0.005930 0.007938 -0.000126 0.003080 0.003500 -0.003278 31O 1dxz -0.006152 -0.017622 -0.002859 0.000997 0.001171 0.005634 31O 1dyz -0.002321 0.008033 -0.005967 -0.007712 -0.003971 -0.000012 31O 1dx2y2 0.005236 0.002963 -0.002872 -0.007580 0.004816 0.003398 31O 1dxy 0.012211 0.026613 -0.001158 -0.004773 0.001627 0.000287 31O 2dz2 0.006683 0.018592 0.004204 0.000547 0.005674 0.006298 31O 2dxz 0.012610 0.072562 -0.012754 -0.009885 -0.005504 0.013285 31O 2dyz 0.016771 0.036999 -0.015346 -0.013556 -0.005306 0.019770 31O 2dx2y2 -0.004024 -0.044848 -0.011032 -0.003934 -0.004723 0.006323 31O 2dxy 0.000397 -0.068069 0.009734 0.010118 -0.009817 -0.015508 31O 1f0 0.030178 0.020508 0.068834 0.053506 0.078105 0.012072 31O 1f+1 -0.016402 -0.030516 0.020379 0.026538 -0.061529 0.094796 31O 1f-1 0.012690 0.021793 0.048314 0.025702 0.169646 -0.093375 31O 1f+2 0.020216 0.028550 -0.015987 0.024002 -0.160971 0.084755 31O 1f-2 -0.043895 -0.030392 0.082482 0.076385 0.113748 -0.020055 31O 1f+3 0.005032 -0.005304 0.045511 0.017705 0.154728 -0.068081 31O 1f-3 0.019918 0.039846 -0.023419 -0.052970 0.031460 -0.014991 32O 1s 0.001886 0.000038 0.000162 0.001064 0.000095 0.000158 32O 2s 0.006099 0.000085 0.000570 0.003206 0.000296 0.000475 32O 3s -0.056195 0.000203 -0.007390 -0.025115 -0.002674 -0.003346 32O 4s 0.133115 -0.001508 0.031621 0.051606 0.007330 0.003273 32O 5s -0.191900 -0.007520 -0.067168 -0.141604 -0.015672 -0.005600 32O 1pz 0.002775 0.011376 0.001437 0.002733 -0.000236 -0.005143 32O 1px -0.013270 0.003274 -0.001792 -0.010467 0.000276 0.000337 32O 1py 0.000769 0.000293 -0.001077 0.001110 0.001945 0.002780 32O 2pz -0.001990 -0.061827 -0.008876 -0.003129 0.000576 0.023642 32O 2px 0.029918 -0.019173 0.003097 0.032844 -0.000126 0.004512 32O 2py 0.000585 -0.000308 0.003025 -0.008635 -0.005048 -0.008223 32O 3pz 0.014396 -0.005284 0.008838 0.005868 -0.000249 -0.001973 32O 3px -0.068512 -0.005620 -0.040871 -0.016976 -0.005348 0.008351 32O 3py -0.008791 0.003035 0.012870 -0.060387 0.003839 0.003569 32O 1dz2 -0.000444 -0.001664 0.008125 -0.006841 0.000121 -0.007431 32O 1dxz -0.002837 0.000152 0.006934 -0.008901 -0.000676 0.000385 32O 1dyz -0.002583 -0.006018 -0.006801 0.003836 -0.000049 0.008817 32O 1dx2y2 0.003891 -0.000493 -0.001003 0.008936 0.000064 0.004292 32O 1dxy 0.004292 -0.001613 0.012763 -0.007581 -0.001179 -0.009083 32O 2dz2 0.003060 -0.015402 -0.001397 0.002151 0.000237 0.002250 32O 2dxz 0.000432 0.012866 0.012400 -0.013179 -0.000704 -0.008759 32O 2dyz 0.000084 -0.027000 -0.003955 0.001320 0.000075 0.010358 32O 2dx2y2 -0.000576 0.003862 -0.025485 0.029298 0.001399 0.007300 32O 2dxy 0.003962 -0.010536 0.003235 0.004052 -0.000207 0.002917 32O 1f0 -0.002630 0.001151 -0.179936 0.198504 0.012286 0.048868 32O 1f+1 -0.000097 0.012280 0.143503 -0.159149 -0.010114 -0.035327 32O 1f-1 0.004384 0.004281 0.265555 -0.280599 -0.015396 -0.076253 32O 1f+2 0.013693 -0.007920 0.281946 -0.286224 -0.014065 -0.085638 32O 1f-2 0.005026 -0.002136 -0.060769 0.083029 0.004648 0.008408 32O 1f+3 0.017434 0.004659 0.140503 -0.109070 -0.004606 -0.051587 32O 1f-3 0.000582 0.000953 -0.427346 0.478016 0.026911 0.102736 33O 1s 0.000747 0.001666 0.000356 0.000089 -0.000152 -0.000207 33O 2s 0.003453 0.006161 0.001657 0.000458 -0.000215 -0.000759 33O 3s -0.001028 -0.127226 -0.027016 -0.001321 -0.005592 0.009169 33O 4s 0.076537 0.382492 0.080336 0.004697 0.040479 -0.020877 33O 5s 0.259388 -0.862440 0.252665 -0.063043 0.047912 -0.058047 33O 1pz -0.004035 -0.026673 0.001157 0.003073 -0.001766 0.006269 33O 1px 0.036685 -0.023342 0.010584 0.000603 0.001698 0.002141 33O 1py 0.014392 -0.025542 -0.001965 -0.003326 -0.002649 -0.008549 33O 2pz 0.026415 0.183777 0.030038 -0.017309 0.020938 -0.028417 33O 2px -0.060572 -0.098563 -0.071916 0.011514 -0.028172 0.001734 33O 2py -0.016579 0.079426 0.010725 0.008346 0.016511 0.031355 33O 3pz -0.142760 0.426421 0.032215 -0.006295 -0.002912 -0.001480 33O 3px -0.136701 0.090856 -0.103639 0.035647 -0.027223 0.046433 33O 3py -0.116988 0.294091 -0.021848 -0.024620 0.015834 -0.042788 33O 1dz2 -0.002511 0.003837 -0.000317 -0.005732 -0.003873 -0.001355 33O 1dxz -0.011876 0.022438 0.007656 -0.002482 -0.000994 -0.008454 33O 1dyz -0.006194 0.017311 0.005639 0.000632 0.000829 -0.004010 33O 1dx2y2 0.004962 -0.005289 -0.000891 0.002966 -0.006049 -0.013579 33O 1dxy -0.007653 0.014848 0.003993 -0.004321 0.003561 0.012820 33O 2dz2 -0.004880 -0.007013 -0.003350 0.006805 -0.005139 -0.006262 33O 2dxz 0.005777 -0.092330 -0.012427 0.006468 -0.006896 0.007514 33O 2dyz -0.011674 0.001482 0.008900 0.007624 0.005667 0.003039 33O 2dx2y2 -0.007773 0.068847 0.017989 -0.012285 0.008756 -0.000480 33O 2dxy -0.005692 -0.010226 -0.000228 -0.003745 -0.010219 -0.010253 33O 1f0 -0.018313 0.026350 0.014320 0.015908 -0.000905 0.031019 33O 1f+1 0.024484 -0.009156 0.020924 0.030529 0.028014 0.062718 33O 1f-1 -0.037131 0.035489 0.034730 0.006198 0.032475 0.067381 33O 1f+2 -0.020632 -0.002016 0.050574 0.023001 0.094441 0.183052 33O 1f-2 0.037707 -0.035349 0.020476 -0.006573 0.030810 0.067594 33O 1f+3 -0.011964 0.004899 -0.077243 0.000563 -0.137409 -0.224265 33O 1f-3 -0.023294 0.037729 0.003717 0.000859 0.040482 0.047529 34O 1s 0.000482 -0.001894 0.000287 -0.000050 0.000440 0.000561 34O 2s 0.001328 -0.008025 0.001326 -0.000070 0.001404 0.002595 34O 3s 0.044475 0.175232 -0.021540 -0.008004 -0.009390 -0.041987 34O 4s -0.149204 -0.606617 0.062839 0.023453 0.002307 0.167623 34O 5s 0.128542 0.777093 0.209652 0.140313 -0.025179 -0.071018 34O 1pz 0.017818 0.025917 0.008724 -0.003283 0.007771 -0.001252 34O 1px -0.021134 0.004077 -0.005569 -0.005225 -0.001159 0.004502 34O 1py -0.013419 -0.035514 -0.001530 -0.001569 0.002277 0.000126 34O 2pz -0.018327 -0.041892 -0.030490 0.006215 -0.030307 0.002194 34O 2px -0.077290 -0.323511 0.057702 0.054399 -0.012470 0.057491 34O 2py 0.024637 0.137585 -0.000308 -0.004245 0.000864 -0.009571 34O 3pz -0.046897 -0.238468 -0.026143 -0.050959 -0.000333 0.015521 34O 3px 0.004411 -0.208363 0.112347 0.024506 0.000406 0.048513 34O 3py 0.108516 0.416699 -0.005319 0.021612 -0.002227 -0.050285 34O 1dz2 -0.006626 -0.004560 0.003655 0.001310 -0.006194 0.005139 34O 1dxz 0.005277 0.004986 -0.003509 0.004715 -0.003108 -0.002517 34O 1dyz 0.005339 0.019689 -0.005689 -0.006150 0.004040 0.005197 34O 1dx2y2 0.014404 0.027116 -0.006435 -0.004405 0.001481 0.005121 34O 1dxy -0.009194 -0.011285 0.001951 0.000739 0.000469 -0.003887 34O 2dz2 0.027084 0.076163 -0.006294 -0.009991 0.006126 -0.013322 34O 2dxz 0.007860 0.027182 -0.015338 -0.007048 -0.012463 0.007344 34O 2dyz 0.010952 -0.008164 -0.006198 -0.000197 -0.001789 -0.004870 34O 2dx2y2 -0.035584 -0.134827 0.013250 0.020402 -0.004318 0.019241 34O 2dxy 0.012456 0.026496 0.000385 -0.000145 -0.001002 -0.013241 34O 1f0 -0.013938 -0.022023 0.004696 -0.011159 0.030203 -0.084667 34O 1f+1 0.027741 0.013638 -0.036016 0.002624 -0.115662 -0.000136 34O 1f-1 -0.023362 -0.022720 -0.090245 0.044475 -0.290540 -0.094750 34O 1f+2 -0.005309 -0.009091 0.015621 0.015656 0.031213 -0.082456 34O 1f-2 0.033502 0.048104 -0.003875 0.011689 -0.020170 0.012747 34O 1f+3 -0.002587 -0.024883 0.034747 -0.001076 0.074893 0.014267 34O 1f-3 -0.028140 -0.017114 0.013909 -0.006769 0.034807 0.040674 35O 1s 0.000217 0.002104 0.000479 0.000153 -0.000004 0.000021 35O 2s -0.000074 0.008792 0.001979 -0.000049 -0.000058 -0.000045 35O 3s 0.072980 -0.179379 -0.030780 0.019047 -0.000748 0.002730 35O 4s -0.257016 0.616950 0.087292 -0.069940 0.005246 -0.007586 35O 5s 0.124598 -0.788862 0.177553 -0.266614 0.021900 -0.026483 35O 1pz 0.019854 -0.035810 -0.007096 0.007673 -0.003877 -0.005952 35O 1px -0.019599 0.000146 -0.001973 0.005301 -0.002342 -0.005632 35O 1py 0.010494 -0.020067 0.003259 -0.002366 0.007192 0.013623 35O 2pz -0.029891 0.102929 0.032248 -0.033438 0.014868 0.018398 35O 2px -0.131140 0.286921 0.051812 -0.088861 0.012525 0.010650 35O 2py -0.083724 0.171457 0.016901 -0.028634 -0.017724 -0.043628 35O 3pz -0.113650 0.407395 -0.003222 0.075304 0.003653 -0.030513 35O 3px -0.012291 0.136423 0.092918 -0.003188 0.010066 -0.040111 35O 3py -0.070377 0.289231 0.035084 0.007472 0.014752 0.040658 35O 1dz2 -0.016517 0.020906 -0.000494 -0.005896 0.006860 0.013034 35O 1dxz 0.009955 -0.014458 0.004633 -0.006729 0.005435 0.005131 35O 1dyz 0.000455 0.015352 0.006233 -0.007623 0.000516 -0.006300 35O 1dx2y2 0.005143 -0.010155 0.003053 0.000120 0.005742 0.005822 35O 1dxy 0.013526 -0.015966 0.001666 -0.000294 -0.003995 0.002141 35O 2dz2 0.028788 -0.083154 -0.014537 0.013667 -0.005895 -0.002834 35O 2dxz 0.002786 -0.004488 0.018844 -0.017649 0.003176 0.000589 35O 2dyz -0.009052 -0.006333 0.011644 -0.012884 0.002365 0.001778 35O 2dx2y2 -0.047656 0.101824 0.012941 -0.017326 0.004928 0.002041 35O 2dxy -0.047929 0.087274 0.018973 -0.025675 -0.004481 -0.010763 35O 1f0 0.012333 -0.015599 -0.110236 0.077683 -0.296166 -0.479331 35O 1f+1 -0.014719 0.032577 0.056799 -0.046055 0.073072 0.091076 35O 1f-1 0.017473 -0.014488 -0.047382 0.081535 -0.012923 0.019442 35O 1f+2 0.005041 -0.020674 -0.058766 0.051245 -0.139509 -0.231634 35O 1f-2 -0.044179 0.041006 -0.071050 0.028943 -0.187327 -0.302562 35O 1f+3 0.008905 -0.004832 -0.022296 0.034438 -0.029704 -0.027219 35O 1f-3 0.032585 -0.010277 -0.017334 -0.006139 -0.042486 -0.071587 618 619 620 621 622 623 5.15471 5.16959 5.17136 5.17231 5.17733 5.17989 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s -0.000026 -0.000010 -0.000027 0.000173 0.000134 -0.000043 0Rh 2s -0.000106 0.000191 0.000219 -0.000852 -0.000857 0.000364 0Rh 3s -0.000220 0.000055 -0.000032 0.000537 0.000298 -0.000045 0Rh 4s 0.000484 -0.001081 -0.001283 0.005361 0.005238 -0.002179 0Rh 5s -0.001745 0.002901 0.003015 -0.012819 -0.013040 0.005644 0Rh 6s 0.004676 -0.004279 -0.002354 0.009238 0.012552 -0.006706 0Rh 7s -0.007698 0.005227 -0.001389 0.015084 -0.016550 0.019452 0Rh 8s 0.029195 0.062386 0.009493 -0.033354 0.037169 -0.003310 0Rh 1pz 0.023800 -0.000560 -0.012661 -0.030585 -0.016639 -0.023462 0Rh 1px -0.002187 -0.003309 -0.007015 -0.002648 -0.008039 -0.004391 0Rh 1py 0.020640 0.018707 0.008275 -0.014949 0.022031 -0.005482 0Rh 2pz -0.097464 0.002308 0.051691 0.125323 0.068086 0.095655 0Rh 2px 0.008954 0.013608 0.028669 0.010880 0.032926 0.017859 0Rh 2py -0.084429 -0.076635 -0.033918 0.061186 -0.090258 0.022415 0Rh 3pz 0.292895 -0.007156 -0.152422 -0.378155 -0.203602 -0.279498 0Rh 3px -0.026840 -0.042084 -0.084982 -0.033650 -0.099164 -0.051389 0Rh 3py 0.252114 0.230991 0.102441 -0.183384 0.272075 -0.066670 0Rh 4pz -0.339336 0.008854 0.168301 0.442711 0.232660 0.300938 0Rh 4px 0.030939 0.052502 0.094806 0.042785 0.115823 0.053225 0Rh 4py -0.287950 -0.270136 -0.120162 0.211313 -0.317769 0.075331 0Rh 5pz 0.160366 -0.005674 -0.064527 -0.215363 -0.101753 -0.100960 0Rh 5px -0.015061 -0.030865 -0.038075 -0.029369 -0.056098 -0.014181 0Rh 5py 0.130483 0.131928 0.059868 -0.096884 0.152718 -0.032848 0Rh 6pz -0.214179 0.021001 0.055323 0.275755 0.087486 0.080485 0Rh 6px 0.009403 0.015604 0.046142 0.068805 0.062845 0.007565 0Rh 6py -0.203305 -0.165559 -0.088689 0.089793 -0.160155 0.061246 0Rh 1dz2 0.003453 0.001313 0.001422 -0.004410 -0.000722 0.003299 0Rh 1dxz -0.005644 0.001272 -0.000697 0.011351 0.003132 -0.006130 0Rh 1dyz 0.001906 0.002679 0.000665 0.000314 0.005807 -0.000403 0Rh 1dx2y2 0.000860 0.002374 -0.000332 -0.000675 0.003112 -0.002191 0Rh 1dxy -0.006063 -0.008303 -0.003703 0.004215 -0.007295 0.000193 0Rh 2dz2 0.000206 0.001426 -0.000446 0.000394 -0.001537 -0.001623 0Rh 2dxz 0.000221 0.000600 0.000690 -0.000903 -0.000554 0.001723 0Rh 2dyz -0.000081 -0.000844 0.000024 -0.000309 -0.000639 -0.000136 0Rh 2dx2y2 -0.000314 0.000748 0.000302 0.000727 -0.000888 0.000339 0Rh 2dxy -0.000314 0.000684 0.000106 0.000053 0.000164 0.000131 0Rh 3dz2 -0.016849 -0.012634 -0.004489 0.018459 0.010383 -0.007764 0Rh 3dxz 0.025016 -0.008647 0.000064 -0.048062 -0.011877 0.020430 0Rh 3dyz -0.008438 -0.008491 -0.003161 -0.000009 -0.023713 0.002570 0Rh 3dx2y2 -0.002555 -0.014275 0.000119 -0.000223 -0.010225 0.008578 0Rh 3dxy 0.029380 0.035070 0.016637 -0.019633 0.032875 -0.001467 0Rh 4dz2 0.032701 0.030331 0.006125 -0.031811 -0.025937 0.007135 0Rh 4dxz -0.046588 0.019171 0.002882 0.084126 0.019521 -0.030651 0Rh 4dyz 0.015778 0.012244 0.005942 -0.001436 0.040268 -0.006338 0Rh 4dx2y2 0.003776 0.028457 0.001519 0.003343 0.014581 -0.014698 0Rh 4dxy -0.056872 -0.061560 -0.031170 0.036211 -0.059991 0.003169 0Rh 5dz2 -0.046273 -0.059579 -0.000077 0.023404 0.045126 0.012147 0Rh 5dxz 0.061563 -0.033634 -0.010693 -0.078551 -0.016732 0.019161 0Rh 5dyz -0.019635 -0.004134 -0.007559 0.002554 -0.042322 0.017694 0Rh 5dx2y2 -0.001997 -0.029208 -0.009270 -0.008593 -0.003617 0.014797 0Rh 5dxy 0.082638 0.060299 0.040639 -0.040894 0.061614 -0.004326 0Rh 1f0 -0.000928 -0.000122 0.000547 0.006730 0.006591 -0.004088 0Rh 1f+1 -0.001603 0.004396 0.000482 0.012479 0.003694 0.000719 0Rh 1f-1 0.005710 0.002306 0.004819 -0.001696 0.000958 0.010902 0Rh 1f+2 -0.002890 0.004772 -0.003239 -0.006108 -0.000276 -0.009968 0Rh 1f-2 0.001337 -0.003439 0.001298 -0.001764 -0.003022 0.000746 0Rh 1f+3 0.000989 0.002264 0.000438 -0.002267 0.007989 0.005807 0Rh 1f-3 -0.000916 -0.008436 -0.000516 0.006860 -0.007098 -0.000650 1Rh 1s -0.000024 0.000009 -0.000030 -0.000171 -0.000131 -0.000036 1Rh 2s -0.000121 -0.000191 0.000242 0.000840 0.000829 0.000321 1Rh 3s -0.000219 -0.000059 -0.000038 -0.000533 -0.000297 -0.000027 1Rh 4s 0.000575 0.001078 -0.001425 -0.005288 -0.005072 -0.001912 1Rh 5s -0.001979 -0.002896 0.003370 0.012643 0.012607 0.004987 1Rh 6s 0.004956 0.004289 -0.002708 -0.009091 -0.012028 -0.006120 1Rh 7s -0.008468 -0.004882 -0.001118 -0.014934 0.015874 0.019056 1Rh 8s 0.028534 -0.062684 0.011259 0.031989 -0.037275 -0.002214 1Rh 1pz -0.023876 -0.000664 0.012659 -0.030652 -0.016199 0.023611 1Rh 1px 0.002261 -0.003334 0.007167 -0.002802 -0.007852 0.004368 1Rh 1py -0.021127 0.018753 -0.008668 -0.014741 0.021741 0.005211 1Rh 2pz 0.097772 0.002735 -0.051684 0.125596 0.066288 -0.096266 1Rh 2px -0.009256 0.013712 -0.029291 0.011514 0.032164 -0.017765 1Rh 2py 0.086424 -0.076822 0.035526 0.060335 -0.089074 -0.021303 1Rh 3pz -0.293790 -0.008482 0.152371 -0.378952 -0.198295 0.281311 1Rh 3px 0.027742 -0.042402 0.086852 -0.035546 -0.096918 0.051124 1Rh 3py -0.258107 0.231564 -0.107318 -0.180847 0.268571 0.063324 1Rh 4pz 0.340266 0.010510 -0.168154 0.443566 0.226785 -0.302955 1Rh 4px -0.031981 0.052882 -0.096963 0.044950 0.113351 -0.052993 1Rh 4py 0.294900 -0.270826 0.125954 0.208420 -0.313868 -0.071449 1Rh 5pz -0.160595 -0.006677 0.064303 -0.215618 -0.099465 0.101705 1Rh 5px 0.015604 -0.031040 0.038987 -0.030342 -0.055158 0.014247 1Rh 5py -0.133739 0.132304 -0.062862 -0.095563 0.151181 0.031050 1Rh 6pz 0.215309 0.021531 -0.054500 0.275443 0.084713 -0.080334 1Rh 6px -0.011707 0.015584 -0.045136 0.069944 0.062108 -0.007654 1Rh 6py 0.206527 -0.165906 0.092504 0.087825 -0.158932 -0.059852 1Rh 1dz2 0.003457 -0.001296 0.001467 0.004392 0.000752 0.003364 1Rh 1dxz -0.005616 -0.001384 -0.000740 -0.011315 -0.003178 -0.006074 1Rh 1dyz 0.002069 -0.002788 0.000810 -0.000314 -0.005917 -0.000304 1Rh 1dx2y2 0.001003 -0.002429 -0.000231 0.000688 -0.003172 -0.002216 1Rh 1dxy -0.006175 0.008319 -0.003875 -0.004122 0.007284 0.000096 1Rh 2dz2 0.000214 -0.001430 -0.000468 -0.000391 0.001520 -0.001644 1Rh 2dxz 0.000218 -0.000584 0.000693 0.000894 0.000581 0.001715 1Rh 2dyz -0.000105 0.000857 0.000008 0.000308 0.000644 -0.000163 1Rh 2dx2y2 -0.000319 -0.000746 0.000277 -0.000730 0.000905 0.000347 1Rh 2dxy -0.000310 -0.000685 0.000112 -0.000049 -0.000179 0.000133 1Rh 3dz2 -0.016906 0.012574 -0.004598 -0.018385 -0.010440 -0.007964 1Rh 3dxz 0.024903 0.009093 0.000250 0.047944 0.011966 0.020206 1Rh 3dyz -0.009079 0.008940 -0.003751 0.000018 0.024203 0.002236 1Rh 3dx2y2 -0.003190 0.014521 -0.000230 0.000175 0.010426 0.008656 1Rh 3dxy 0.029877 -0.035141 0.017400 0.019184 -0.032755 -0.001027 1Rh 4dz2 0.032850 -0.030238 0.006237 0.031696 0.025948 0.007411 1Rh 4dxz -0.046402 -0.019941 0.002557 -0.083943 -0.019560 -0.030265 1Rh 4dyz 0.016887 -0.013049 0.006969 0.001429 -0.041215 -0.005846 1Rh 4dx2y2 0.004943 -0.028922 0.002046 -0.003274 -0.014901 -0.014818 1Rh 4dxy -0.057738 0.061688 -0.032541 -0.035338 0.059677 0.002360 1Rh 5dz2 -0.046605 0.059507 -0.000061 -0.023366 -0.044841 0.011963 1Rh 5dxz 0.061497 0.034424 -0.010404 0.078371 0.016419 0.018691 1Rh 5dyz -0.021011 0.005194 -0.008737 -0.002623 0.043762 0.017232 1Rh 5dx2y2 -0.003504 0.029889 -0.009531 0.008604 0.003953 0.014910 1Rh 5dxy 0.083223 -0.060412 0.041962 0.039649 -0.060852 -0.003507 1Rh 1f0 0.000862 -0.000068 -0.000594 0.006734 0.006674 0.004043 1Rh 1f+1 0.001582 0.004415 -0.000465 0.012489 0.003687 -0.000737 1Rh 1f-1 -0.005668 0.002227 -0.004869 -0.001667 0.000883 -0.010931 1Rh 1f+2 0.002793 0.004872 0.003152 -0.006165 -0.000145 0.009961 1Rh 1f-2 -0.001239 -0.003404 -0.001270 -0.001743 -0.002956 -0.000710 1Rh 1f+3 -0.001027 0.002198 -0.000589 -0.002272 0.007896 -0.005869 1Rh 1f-3 0.001125 -0.008434 0.000686 0.006854 -0.007069 0.000729 2C 1s -0.000290 -0.000291 -0.000214 0.001559 0.000335 0.000445 2C 2s -0.000071 -0.000621 -0.000054 0.003173 0.000703 0.000424 2C 3s -0.030441 0.016635 -0.024593 -0.042535 -0.022262 0.025444 2C 4s 0.135601 -0.000532 0.111040 -0.053819 0.091472 -0.138100 2C 5s 0.020853 -0.078829 -0.003976 -0.069430 -0.032713 0.032234 2C 1pz -0.005019 0.011192 -0.000646 -0.014366 -0.006014 0.009582 2C 1px 0.004217 0.003632 -0.009469 -0.002959 0.003903 -0.019322 2C 1py -0.002545 -0.004191 -0.004487 -0.012395 -0.001118 0.000022 2C 2pz 0.049599 -0.003925 -0.043074 -0.123627 0.152970 -0.079113 2C 2px -0.051979 -0.020714 0.084370 0.020758 -0.021385 0.187845 2C 2py 0.015037 0.104038 0.137337 -0.081719 -0.080268 -0.022128 2C 3pz 0.014740 -0.010318 -0.000010 0.012670 0.000224 -0.020586 2C 3px 0.020711 0.003214 0.021487 -0.023749 0.006196 0.072846 2C 3py 0.003613 -0.038232 0.005033 -0.005621 0.001219 0.005390 2C 1dz2 -0.004771 -0.002045 0.028189 -0.016553 -0.021745 0.012063 2C 1dxz 0.004433 -0.001892 0.001618 -0.008528 -0.005937 -0.031206 2C 1dyz -0.001113 0.009700 -0.007385 -0.011832 0.013462 0.010238 2C 1dx2y2 -0.004259 -0.006858 0.016119 -0.001052 -0.017245 -0.002667 2C 1dxy 0.003668 0.001805 -0.016231 -0.000934 0.010742 -0.019439 2C 2dz2 0.017940 -0.022719 0.013792 -0.030374 -0.003320 -0.075939 2C 2dxz -0.021263 0.013574 0.084855 -0.073333 -0.080287 0.059521 2C 2dyz 0.005058 0.027043 0.022756 0.003192 0.021169 0.006776 2C 2dx2y2 -0.015309 -0.018637 0.073593 0.022392 -0.082276 0.045010 2C 2dxy -0.011771 -0.019958 -0.054869 -0.006986 0.100742 0.095432 2C 1f0 0.001548 -0.030337 0.056115 -0.004288 -0.056396 -0.024743 2C 1f+1 -0.004251 -0.012834 0.006545 0.008606 -0.006056 0.005288 2C 1f-1 0.005682 -0.001027 0.002744 0.002693 0.002670 -0.009538 2C 1f+2 -0.014851 -0.006835 0.020406 -0.035141 -0.033367 0.005303 2C 1f-2 0.004820 -0.012521 0.022346 0.000041 -0.011459 0.002294 2C 1f+3 -0.009729 0.003793 0.011576 -0.017605 -0.006007 0.014929 2C 1f-3 0.000165 0.004155 -0.015829 0.020461 0.021496 0.002888 3C 1s 0.000254 0.001038 -0.000267 -0.000547 0.001299 0.000559 3C 2s 0.000461 0.001699 -0.000266 -0.000737 0.002678 0.000573 3C 3s -0.014268 0.013715 -0.019823 -0.010210 -0.048455 0.025735 3C 4s 0.036317 -0.200745 0.103152 0.046791 0.011451 -0.160142 3C 5s -0.005272 -0.023476 0.036000 0.035777 0.009847 -0.065813 3C 1pz -0.005491 0.000782 0.002220 0.005894 -0.008633 0.003079 3C 1px -0.012241 0.004214 -0.007784 0.003989 -0.010887 -0.011433 3C 1py -0.002520 0.006635 0.003722 0.008485 0.014081 -0.007084 3C 2pz 0.092409 -0.171876 0.035654 -0.035534 -0.075195 -0.070390 3C 2px 0.206817 -0.159300 0.109759 -0.050083 0.053353 0.109680 3C 2py 0.093596 0.046751 0.000846 0.005645 0.073359 0.107452 3C 3pz -0.017988 0.006384 0.012705 0.030966 0.010960 -0.026974 3C 3px -0.031874 0.017521 0.012886 0.000001 0.000862 0.033311 3C 3py -0.024740 0.018765 -0.004562 0.006996 -0.023511 0.025708 3C 1dz2 0.000167 0.009174 -0.010568 -0.015153 0.006629 0.011742 3C 1dxz -0.010528 0.005136 -0.016016 -0.008097 -0.005015 -0.008066 3C 1dyz -0.000225 0.002119 0.008895 0.019852 0.004383 -0.011224 3C 1dx2y2 -0.012949 0.020236 -0.020584 -0.008773 0.006269 -0.002141 3C 1dxy 0.006629 0.005391 0.003023 -0.004262 0.012469 0.019394 3C 2dz2 0.044384 -0.030769 -0.008344 -0.023483 0.009511 0.002844 3C 2dxz -0.121997 0.068789 -0.039098 -0.023299 -0.039577 -0.025021 3C 2dyz -0.002057 -0.002419 0.031454 0.054267 -0.030322 0.009814 3C 2dx2y2 -0.041048 0.081116 -0.036075 -0.050850 0.043906 0.070065 3C 2dxy -0.066180 0.082288 -0.067259 0.004907 0.007148 -0.046447 3C 1f0 -0.022718 0.019563 -0.017052 -0.010478 0.015482 0.006473 3C 1f+1 0.012706 0.013466 -0.014802 -0.019556 0.016019 0.007638 3C 1f-1 0.017671 -0.026574 0.051141 0.063105 -0.007858 -0.020126 3C 1f+2 0.004385 0.005081 -0.003267 -0.010296 -0.016015 0.012686 3C 1f-2 -0.009102 -0.010586 0.006295 0.010702 -0.018668 -0.002713 3C 1f+3 -0.027058 0.009397 0.003341 0.005364 0.010023 -0.002451 3C 1f-3 -0.015880 0.011441 -0.015236 -0.020835 -0.013470 0.009330 4C 1s 0.000032 -0.000682 0.000266 0.001931 0.000105 0.000444 4C 2s -0.000165 -0.001639 0.000226 0.004544 -0.000147 0.000777 4C 3s 0.026437 0.010181 0.032361 -0.041176 0.051691 0.000767 4C 4s -0.127379 0.009006 -0.162957 0.001232 -0.250935 -0.014957 4C 5s -0.027730 -0.005406 -0.032288 0.164284 -0.020719 0.004880 4C 1pz -0.003316 -0.015573 0.004745 0.011844 -0.008227 -0.001542 4C 1px 0.002968 -0.003906 0.007290 0.004616 -0.004515 0.006602 4C 1py 0.002612 0.009453 -0.012128 0.017248 0.012507 0.005565 4C 2pz 0.102141 0.083474 -0.010160 -0.115101 0.068212 -0.155030 4C 2px -0.217161 0.010633 0.042924 -0.070217 -0.074284 0.246119 4C 2py -0.029473 -0.008032 0.057993 -0.125966 -0.045146 -0.008994 4C 3pz 0.050398 -0.064021 0.016264 0.040856 -0.008265 0.057905 4C 3px -0.048329 -0.026020 -0.041348 0.037602 -0.001909 -0.090381 4C 3py 0.022130 -0.054052 -0.007342 0.035170 -0.017601 0.008708 4C 1dz2 -0.002646 -0.002477 0.025139 -0.022144 -0.022606 -0.004339 4C 1dxz -0.000321 -0.008606 0.008238 -0.015334 -0.005435 -0.010862 4C 1dyz -0.000034 0.009874 -0.016867 -0.022043 0.015842 0.001612 4C 1dx2y2 -0.004659 -0.017706 0.020092 0.003955 -0.021540 -0.007563 4C 1dxy -0.001358 0.014739 -0.009386 -0.002650 -0.006172 -0.003737 4C 2dz2 0.052716 -0.065108 -0.028063 0.091289 -0.007561 -0.126297 4C 2dxz -0.111391 -0.039772 0.084480 0.015563 -0.049361 0.278730 4C 2dyz -0.006655 -0.011447 -0.040178 0.123286 -0.002685 0.010794 4C 2dx2y2 -0.010970 -0.002890 -0.000944 -0.090654 -0.029421 -0.010491 4C 2dxy -0.096070 -0.009324 0.061886 -0.022964 -0.088963 0.171681 4C 1f0 -0.003234 0.012475 -0.033028 0.020938 0.046776 0.008806 4C 1f+1 0.009810 0.007546 0.003223 0.027083 0.003079 0.002573 4C 1f-1 0.015239 0.016730 -0.004908 -0.013791 0.007399 -0.012098 4C 1f+2 0.029275 0.036083 -0.043105 0.007168 0.022022 -0.017492 4C 1f-2 -0.008696 0.007458 -0.006401 -0.007259 0.020400 0.033190 4C 1f+3 0.028597 -0.022439 0.016154 -0.013197 -0.005636 -0.024929 4C 1f-3 0.031253 -0.010548 -0.004922 0.022807 0.022291 -0.025167 5C 1s 0.000537 0.000648 0.000038 -0.000061 0.001898 0.000376 5C 2s 0.000800 0.001969 -0.000036 0.000244 0.004136 0.000991 5C 3s 0.050093 -0.068172 0.013392 -0.041043 -0.004429 -0.023682 5C 4s -0.280056 0.236886 -0.068921 0.183405 -0.143464 0.090878 5C 5s -0.082007 0.096024 -0.028818 0.046226 0.072878 0.021090 5C 1pz 0.002786 0.011229 -0.016011 -0.021523 0.009682 0.008309 5C 1px 0.007999 0.001019 0.000980 -0.004768 0.007041 0.008082 5C 1py 0.003402 -0.011111 -0.005620 -0.013858 -0.012161 0.001766 5C 2pz -0.044008 -0.079237 0.019551 0.067531 -0.102325 -0.104047 5C 2px 0.014112 -0.067736 0.161944 0.077409 0.011812 0.066356 5C 2py 0.038749 0.118286 0.000576 0.020257 0.120711 0.089317 5C 3pz -0.018997 0.012381 0.016055 0.026663 0.051281 -0.020533 5C 3px -0.002378 -0.018783 -0.001699 0.025270 0.011186 -0.085354 5C 3py 0.041927 -0.028007 -0.023031 -0.023454 -0.078434 0.045997 5C 1dz2 0.012221 0.011465 -0.021606 -0.027684 0.001906 0.014154 5C 1dxz -0.009760 -0.008062 -0.014920 -0.016649 0.002551 -0.001896 5C 1dyz 0.001358 0.002777 0.015059 0.018886 0.018609 -0.010009 5C 1dx2y2 -0.012547 0.023995 -0.018595 -0.007464 0.013904 0.002587 5C 1dxy -0.004556 0.001606 -0.002593 -0.005427 0.019008 0.002310 5C 2dz2 0.004535 0.008918 -0.062843 -0.076981 0.013793 -0.037666 5C 2dxz 0.079226 0.002831 0.044352 -0.040849 0.081820 0.113920 5C 2dyz 0.036237 -0.093327 0.070034 0.001803 -0.044944 0.022446 5C 2dx2y2 -0.001544 -0.076575 0.056558 -0.023294 -0.071659 0.049008 5C 2dxy -0.029083 -0.048907 -0.073530 0.000463 -0.093646 -0.129601 5C 1f0 0.004089 0.004309 0.007956 -0.006285 0.032156 0.015461 5C 1f+1 0.006466 0.017990 -0.012765 -0.001826 0.007374 -0.014584 5C 1f-1 0.009730 0.024257 -0.045034 -0.061312 0.007728 0.030017 5C 1f+2 -0.003514 0.011348 0.002991 0.020151 0.002751 -0.002874 5C 1f-2 -0.016865 0.005640 -0.036050 -0.020088 -0.008517 -0.002393 5C 1f+3 0.000831 -0.015000 -0.019543 -0.026987 0.025011 0.003399 5C 1f-3 -0.015956 -0.001719 0.003796 0.010097 -0.021688 0.002585 6C 1s 0.000571 -0.000639 0.000069 0.000056 -0.001890 0.000398 6C 2s 0.000884 -0.001953 0.000039 -0.000254 -0.004112 0.001037 6C 3s 0.048875 0.068196 0.012092 0.041171 0.003286 -0.023588 6C 4s -0.277471 -0.237666 -0.065512 -0.183361 0.148181 0.088779 6C 5s -0.080578 -0.095804 -0.026955 -0.045762 -0.072115 0.021013 6C 1pz -0.003219 0.011125 0.015575 -0.021602 0.009799 -0.008497 6C 1px -0.008208 0.001015 -0.001166 -0.004695 0.006891 -0.008066 6C 1py -0.003300 -0.011050 0.005796 -0.013936 -0.011923 -0.001642 6C 2pz 0.047978 -0.078099 -0.015425 0.066345 -0.099733 0.105932 6C 2px -0.013732 -0.067341 -0.161411 0.079625 0.007782 -0.068002 6C 2py -0.043256 0.116826 -0.005177 0.021859 0.117122 -0.090945 6C 3pz 0.018517 0.012002 -0.015963 0.025503 0.051011 0.019992 6C 3px 0.002685 -0.018563 0.002424 0.024200 0.012566 0.085472 6C 3py -0.041585 -0.027107 0.023540 -0.021479 -0.078341 -0.045128 6C 1dz2 0.012443 -0.011526 -0.021358 0.027768 -0.002019 0.014181 6C 1dxz -0.010264 0.007998 -0.014864 0.016817 -0.002734 -0.001788 6C 1dyz 0.001695 -0.002596 0.015125 -0.018919 -0.018600 -0.009763 6C 1dx2y2 -0.012427 -0.024157 -0.018194 0.007634 -0.014151 0.002848 6C 1dxy -0.004704 -0.001750 -0.002335 0.005447 -0.019013 0.002318 6C 2dz2 0.004208 -0.008883 -0.062741 0.077871 -0.016073 -0.037133 6C 2dxz 0.082683 -0.001889 0.046739 0.039338 -0.079033 0.114748 6C 2dyz 0.034126 0.092943 0.068238 -0.002631 0.046064 0.022036 6C 2dx2y2 -0.002692 0.076238 0.055087 0.022817 0.073292 0.048168 6C 2dxy -0.030577 0.048610 -0.076155 0.001567 0.088820 -0.130888 6C 1f0 -0.004378 0.004356 -0.008541 -0.005998 0.031637 -0.015821 6C 1f+1 -0.006652 0.017967 0.012769 -0.002059 0.007878 0.014508 6C 1f-1 -0.010283 0.024319 0.044297 -0.061494 0.007959 -0.030300 6C 1f+2 0.003343 0.011138 -0.002991 0.020099 0.002605 0.002930 6C 1f-2 0.016944 0.005633 0.035885 -0.020567 -0.007878 0.002564 6C 1f+3 -0.000630 -0.015131 0.019304 -0.027303 0.025587 -0.003539 6C 1f-3 0.016341 -0.001706 -0.003664 0.010139 -0.022091 -0.002263 7C 1s 0.000004 0.000678 0.000251 -0.001935 -0.000112 0.000456 7C 2s -0.000219 0.001639 0.000193 -0.004534 0.000137 0.000786 7C 3s 0.025539 -0.010785 0.032438 0.039223 -0.052229 0.002586 7C 4s -0.120704 -0.006296 -0.161659 0.008235 0.253705 -0.023956 7C 5s -0.028775 0.007407 -0.032992 -0.161130 0.023135 0.003796 7C 1pz 0.003633 -0.015594 -0.004656 0.011725 -0.008340 0.001656 7C 1px -0.002905 -0.004012 -0.007031 0.004644 -0.004379 -0.006563 7C 1py -0.002945 0.009540 0.011944 0.017189 0.012540 -0.005626 7C 2pz -0.103656 0.084045 0.012795 -0.112418 0.072255 0.152315 7C 2px 0.218841 0.011075 -0.043400 -0.070388 -0.078899 -0.243582 7C 2py 0.030297 -0.007904 -0.055786 -0.124429 -0.044460 0.009304 7C 3pz -0.051586 -0.061916 -0.013650 0.043403 -0.005889 -0.057476 7C 3px 0.047773 -0.025958 0.042127 0.037430 -0.000826 0.089903 7C 3py -0.022969 -0.052794 0.009426 0.036557 -0.015580 -0.008730 7C 1dz2 -0.002756 0.002685 0.025151 0.021778 0.022861 -0.004595 7C 1dxz -0.000263 0.008511 0.008477 0.015186 0.005682 -0.011013 7C 1dyz 0.000394 -0.009825 -0.016155 0.022405 -0.015722 0.001592 7C 1dx2y2 -0.004465 0.017788 0.019777 -0.004158 0.021851 -0.008026 7C 1dxy -0.001776 -0.014582 -0.009196 0.002868 0.006417 -0.003708 7C 2dz2 0.052069 0.065372 -0.028287 -0.090334 0.006263 -0.125450 7C 2dxz -0.113933 0.040300 0.084675 -0.015404 0.052704 0.277016 7C 2dyz -0.006664 0.011890 -0.039934 -0.121722 0.003267 0.009872 7C 2dx2y2 -0.011262 0.003286 -0.001800 0.090917 0.028925 -0.011479 7C 2dxy -0.094802 0.009644 0.061617 0.023424 0.091561 0.169005 7C 1f0 0.002873 0.012809 0.032511 0.020766 0.046952 -0.009312 7C 1f+1 -0.009444 0.007648 -0.002964 0.027440 0.003215 -0.002693 7C 1f-1 -0.015400 0.017051 0.005184 -0.013417 0.008061 0.011642 7C 1f+2 -0.030193 0.035982 0.042560 0.006714 0.022488 0.017326 7C 1f-2 0.008464 0.007639 0.006095 -0.007171 0.020282 -0.033389 7C 1f+3 -0.028684 -0.022486 -0.015934 -0.012805 -0.005460 0.024887 7C 1f-3 -0.030964 -0.010603 0.004986 0.023021 0.022931 0.024649 8C 1s 0.000280 -0.001030 -0.000226 0.000530 -0.001284 0.000574 8C 2s 0.000501 -0.001686 -0.000207 0.000715 -0.002666 0.000603 8C 3s -0.013744 -0.013542 -0.019019 0.009782 0.049243 0.025267 8C 4s 0.030243 0.199060 0.095380 -0.044059 -0.016299 -0.160317 8C 5s -0.005598 0.024083 0.035362 -0.033851 -0.009333 -0.065189 8C 1pz 0.005841 0.000924 -0.002133 0.005981 -0.008901 -0.002933 8C 1px 0.012352 0.004215 0.007916 0.003835 -0.010590 0.011465 8C 1py 0.002723 0.006725 -0.003642 0.008422 0.014116 0.006921 8C 2pz -0.096230 -0.174551 -0.033970 -0.035937 -0.070995 0.070600 8C 2px -0.207355 -0.158512 -0.109725 -0.047885 0.051257 -0.108758 8C 2py -0.101712 0.044271 -0.005486 0.006900 0.071280 -0.107950 8C 3pz 0.019217 0.006705 -0.012365 0.030563 0.010844 0.026808 8C 3px 0.031671 0.016789 -0.012897 -0.000233 -0.000052 -0.033458 8C 3py 0.025113 0.018879 0.004322 0.007546 -0.024033 -0.025459 8C 1dz2 0.000058 -0.009327 -0.010423 0.015160 -0.006464 0.011754 8C 1dxz -0.010812 -0.005372 -0.016213 0.008420 0.004561 -0.007940 8C 1dyz 0.000141 -0.001964 0.008839 -0.019827 -0.004440 -0.011162 8C 1dx2y2 -0.013015 -0.020369 -0.020362 0.009019 -0.006466 -0.001971 8C 1dxy 0.006692 -0.005435 0.003251 0.004163 -0.011961 0.019469 8C 2dz2 0.045259 0.030998 -0.008085 0.023358 -0.009872 0.002239 8C 2dxz -0.125448 -0.070224 -0.040591 0.024846 0.039011 -0.024386 8C 2dyz -0.000624 0.002983 0.031350 -0.054517 0.031329 0.009231 8C 2dx2y2 -0.040887 -0.080877 -0.034039 0.050670 -0.041950 0.070857 8C 2dxy -0.067429 -0.083545 -0.067204 -0.003585 -0.008829 -0.045549 8C 1f0 0.023046 0.019765 0.016787 -0.010700 0.015530 -0.006667 8C 1f+1 -0.012999 0.013435 0.014436 -0.019677 0.015818 -0.007838 8C 1f-1 -0.018165 -0.027103 -0.050568 0.063430 -0.008250 0.020368 8C 1f+2 -0.004759 0.004791 0.002764 -0.009796 -0.016370 -0.012514 8C 1f-2 0.009296 -0.010564 -0.006117 0.010636 -0.018947 0.002772 8C 1f+3 0.027550 0.009497 -0.003170 0.005066 0.009941 0.002154 8C 1f-3 0.016190 0.011590 0.015374 -0.021202 -0.013589 -0.009411 9C 1s -0.000310 0.000303 -0.000204 -0.001548 -0.000316 0.000454 9C 2s -0.000109 0.000635 -0.000064 -0.003171 -0.000688 0.000450 9C 3s -0.029567 -0.015886 -0.022442 0.044164 0.023972 0.024205 9C 4s 0.133723 -0.002758 0.102985 0.046065 -0.098918 -0.133041 9C 5s 0.022772 0.075019 -0.006016 0.066159 0.028149 0.031155 9C 1pz 0.004517 0.011052 0.000170 -0.014516 -0.006443 -0.009248 9C 1px -0.004384 0.003776 0.009197 -0.003030 0.003822 0.019292 9C 1py 0.002757 -0.004343 0.004269 -0.012785 -0.001242 0.000017 9C 2pz -0.044519 -0.003733 0.044044 -0.122925 0.156097 0.073820 9C 2px 0.053517 -0.023158 -0.079945 0.021716 -0.018114 -0.188430 9C 2py -0.020881 0.105177 -0.136473 -0.075539 -0.081577 0.023924 9C 3pz -0.015441 -0.009190 0.001275 0.014002 0.001796 0.020511 9C 3px -0.021014 0.004028 -0.022521 -0.023183 0.005026 -0.072809 9C 3py -0.003031 -0.037925 -0.004348 -0.005440 0.002378 -0.005824 9C 1dz2 -0.004590 0.002286 0.028078 0.015956 0.022245 0.011658 9C 1dxz 0.004615 0.001742 0.001667 0.008292 0.006066 -0.031332 9C 1dyz -0.001165 -0.009563 -0.006743 0.012091 -0.013098 0.010402 9C 1dx2y2 -0.004148 0.006927 0.016253 0.000779 0.017796 -0.003077 9C 1dxy 0.003427 -0.001879 -0.015898 0.001231 -0.010767 -0.019051 9C 2dz2 0.017218 0.023099 0.012579 0.028551 0.002067 -0.074753 9C 2dxz -0.019048 -0.013916 0.084579 0.071601 0.082669 0.056341 9C 2dyz 0.005235 -0.027216 0.023015 -0.003584 -0.020505 0.006992 9C 2dx2y2 -0.013848 0.018910 0.074472 -0.023279 0.085554 0.042350 9C 2dxy -0.016170 0.020450 -0.052280 0.008662 -0.099816 0.099308 9C 1f0 -0.001898 -0.030499 -0.055215 -0.003168 -0.056791 0.025583 9C 1f+1 0.005055 -0.012841 -0.006386 0.008777 -0.006379 -0.005246 9C 1f-1 -0.005188 -0.001146 -0.002540 0.002790 0.002843 0.009076 9C 1f+2 0.015174 -0.006894 -0.020527 -0.035257 -0.034093 -0.005100 9C 1f-2 -0.004826 -0.012049 -0.021759 0.000434 -0.011711 -0.002050 9C 1f+3 0.009002 0.003586 -0.012452 -0.017524 -0.007262 -0.014248 9C 1f-3 0.000281 0.004373 0.015606 0.019644 0.021595 -0.003527 10H 1s -0.005243 0.007856 -0.008562 -0.031099 0.002115 -0.000944 10H 2s 0.004776 0.029347 -0.060097 -0.083485 0.037538 -0.062515 10H 3s -0.007410 -0.003057 0.010092 0.045779 -0.008683 -0.014764 10H 1pz 0.004861 0.001674 -0.025145 -0.011276 0.018570 -0.027179 10H 1px 0.002856 -0.012981 0.011722 0.033183 -0.005404 0.005484 10H 1py 0.002338 0.003868 0.001938 -0.003882 -0.009412 -0.020085 11H 1s -0.005062 0.003652 -0.030090 0.008177 0.031740 0.014279 11H 2s -0.024582 -0.026392 -0.109766 0.027191 0.149384 0.090303 11H 3s 0.016225 0.034220 0.028681 0.006520 -0.021145 -0.005897 11H 1pz -0.009540 -0.004566 -0.032950 -0.002379 0.041200 0.031737 11H 1px -0.006885 -0.000475 -0.020873 0.008777 0.026493 0.021904 11H 1py 0.002712 -0.001372 0.021426 -0.001469 -0.022859 -0.003572 12H 1s -0.008626 -0.000264 0.032929 -0.012680 -0.034260 0.001498 12H 2s -0.035906 0.056966 0.141072 -0.015126 -0.163465 0.041847 12H 3s 0.007136 -0.030924 -0.027315 0.002169 0.047902 0.003680 12H 1pz -0.003818 0.001136 -0.000479 0.004794 -0.002982 0.010439 12H 1px -0.007794 0.003998 0.020911 0.002462 -0.020061 0.012598 12H 1py -0.016521 0.018302 0.048316 -0.016456 -0.055247 0.019262 13H 1s -0.022496 -0.002804 -0.000503 0.004018 -0.028974 -0.009353 13H 2s -0.107225 0.034075 -0.040831 0.000682 -0.099268 -0.066980 13H 3s 0.038866 -0.014322 0.008105 0.002684 0.035212 0.001945 13H 1pz -0.009943 -0.004605 -0.005921 0.001828 -0.026508 -0.017056 13H 1px 0.028164 -0.005059 0.008474 0.005433 0.025624 0.006895 13H 1py 0.027718 -0.019009 0.015339 -0.002720 0.012605 0.020942 14H 1s 0.043538 -0.030172 0.020599 0.008041 -0.007358 0.004149 14H 2s 0.211495 -0.164054 0.081660 -0.025502 0.011584 0.072274 14H 3s -0.082123 0.060086 -0.014446 0.014308 -0.006006 -0.002924 14H 1pz 0.033094 -0.032703 0.018494 -0.003133 -0.007052 0.013286 14H 1px 0.063573 -0.045442 0.026022 -0.008190 0.002350 0.023482 14H 1py 0.004752 0.000303 -0.005051 0.001615 -0.010535 -0.010916 15H 1s -0.019452 0.023039 -0.022687 -0.022725 0.008397 0.010913 15H 2s -0.102845 0.123762 -0.078359 -0.071841 0.016763 0.034449 15H 3s 0.043356 -0.035025 0.003966 -0.020597 0.008210 0.004396 15H 1pz 0.019562 -0.019666 0.017792 0.018869 -0.005979 -0.007741 15H 1px 0.012675 -0.000225 -0.002875 -0.008239 0.006766 0.009478 15H 1py 0.033499 -0.038869 0.028107 0.025618 0.003457 -0.013078 16H 1s -0.002359 -0.001403 0.001560 0.005577 0.003411 0.000035 16H 2s -0.018919 0.000342 0.003892 0.002161 -0.006577 -0.003704 16H 3s -0.020590 -0.008963 0.002062 0.023539 0.002233 0.010401 16H 1pz -0.008172 -0.003034 0.002018 0.005501 -0.002785 -0.001905 16H 1px 0.018639 0.001721 0.002120 -0.013685 -0.002233 -0.003252 16H 1py -0.000761 0.003557 0.002624 0.003506 0.008842 0.001976 17H 1s 0.005580 -0.004579 -0.001706 -0.008013 -0.004092 -0.000115 17H 2s 0.005929 -0.000068 -0.009915 -0.005059 -0.019935 -0.010973 17H 3s 0.001197 -0.013125 -0.008853 -0.007498 -0.018546 -0.003718 17H 1pz -0.007761 0.002436 -0.000466 0.007010 0.007700 0.006290 17H 1px 0.001878 0.006122 0.008207 0.003416 0.014330 0.000229 17H 1py 0.006559 0.001117 -0.001074 -0.006306 0.001451 -0.000846 18H 1s 0.005759 0.004588 -0.001643 0.008141 0.003880 -0.000106 18H 2s 0.006509 0.000467 -0.010180 0.005560 0.019742 -0.011928 18H 3s 0.001352 0.013153 -0.009050 0.008150 0.018139 -0.004027 18H 1pz 0.008019 0.002573 0.000418 0.007111 0.007661 -0.006622 18H 1px -0.001572 0.006169 -0.008381 0.003971 0.014137 -0.000498 18H 1py -0.006603 0.001271 0.000907 -0.006247 0.001937 0.000721 19H 1s -0.002529 0.001373 0.001525 -0.005741 -0.003129 0.000029 19H 2s -0.019044 0.000053 0.003343 -0.002038 0.006643 -0.004130 19H 3s -0.020880 0.009062 0.001712 -0.023375 -0.001554 0.010337 19H 1pz 0.008305 -0.003325 -0.001715 0.005407 -0.003264 0.002145 19H 1px -0.018790 0.001747 -0.002341 -0.013475 -0.002136 0.003372 19H 1py 0.000830 0.003556 -0.002725 0.003606 0.008684 -0.001966 20H 1s -0.020435 -0.023484 -0.022392 0.022850 -0.008190 0.011102 20H 2s -0.107643 -0.126229 -0.077437 0.071814 -0.015283 0.034989 20H 3s 0.045187 0.035833 0.004165 0.020480 -0.008993 0.004429 20H 1pz -0.020722 -0.020151 -0.017619 0.018900 -0.005732 0.007822 20H 1px -0.012400 0.000245 0.002843 -0.008292 0.006640 -0.009597 20H 1py -0.034814 -0.039516 -0.027707 0.025557 0.003948 0.013188 21H 1s 0.044416 0.030452 0.020745 -0.008588 0.007399 0.003875 21H 2s 0.216707 0.166017 0.083308 0.022837 -0.010885 0.070984 21H 3s -0.083632 -0.060332 -0.014804 -0.013833 0.006177 -0.002721 21H 1pz -0.034589 -0.033536 -0.018921 -0.002658 -0.007271 -0.013080 21H 1px -0.064659 -0.045728 -0.026476 -0.007240 0.002035 -0.023017 21H 1py -0.005017 0.000216 0.005122 0.001537 -0.010091 0.010843 22H 1s -0.022588 0.002908 -0.000874 -0.003814 0.028918 -0.009435 22H 2s -0.107368 -0.033080 -0.041574 0.000142 0.097388 -0.066817 22H 3s 0.038607 0.013697 0.008233 -0.002910 -0.035028 0.001887 22H 1pz 0.009292 -0.005046 0.006002 0.001748 -0.025732 0.016992 22H 1px -0.028412 -0.004884 -0.008627 0.005548 0.025628 -0.006948 22H 1py -0.028156 -0.018995 -0.015543 -0.002376 0.012216 -0.020853 23H 1s -0.007599 0.000488 0.032904 0.011761 0.034873 0.000574 23H 2s -0.029870 -0.056101 0.140856 0.011813 0.167073 0.037075 23H 3s 0.004898 0.031373 -0.026794 -0.000973 -0.048061 0.005035 23H 1pz 0.003930 0.001132 0.000848 0.004459 -0.002668 -0.010249 23H 1px 0.007037 0.003503 -0.020143 0.003034 -0.019702 -0.011846 23H 1py 0.014685 0.018012 -0.048819 -0.015402 -0.057055 -0.017625 24H 1s -0.006123 -0.003528 -0.029798 -0.007164 -0.032201 0.015070 24H 2s -0.030335 0.028709 -0.108147 -0.022809 -0.150901 0.094966 24H 3s 0.018125 -0.034762 0.029046 -0.007614 0.022607 -0.006448 24H 1pz 0.010898 -0.005155 0.031947 -0.003652 0.041125 -0.032863 24H 1px 0.007994 -0.001051 0.021058 0.007907 0.027420 -0.023121 24H 1py -0.003462 -0.001266 -0.020816 -0.000545 -0.022561 0.003740 25H 1s -0.005195 -0.008006 -0.007855 0.031355 -0.001659 -0.000984 25H 2s 0.004649 -0.029793 -0.056604 0.084487 -0.034623 -0.062419 25H 3s -0.007604 0.003731 0.008478 -0.045747 0.007578 -0.014658 25H 1pz -0.004415 0.001917 0.024553 -0.011935 0.018304 0.026890 25H 1px -0.002692 -0.012981 -0.010378 0.033420 -0.004261 -0.005555 25H 1py -0.003002 0.003876 -0.002141 -0.003219 -0.009778 0.020440 26O 1s 0.000782 0.000417 -0.000388 -0.001598 0.000087 -0.001532 26O 2s 0.003532 0.001332 -0.001462 -0.004971 0.000818 -0.006010 26O 3s -0.055620 -0.008509 0.017529 0.032092 -0.021407 0.082011 26O 4s 0.211015 -0.003688 -0.073488 0.004796 0.095647 -0.310075 26O 5s 0.006742 0.003825 0.058985 0.164099 0.108524 0.049899 26O 1pz -0.001725 -0.006523 0.005526 0.003349 -0.000795 0.017004 26O 1px -0.004746 -0.002834 -0.002967 -0.001262 0.005098 -0.007595 26O 1py -0.001455 0.005174 0.005043 0.005698 0.004792 0.010385 26O 2pz -0.003026 0.018964 -0.017609 -0.024624 -0.002906 -0.062982 26O 2px -0.073182 0.016632 0.028620 -0.049882 -0.069434 0.121383 26O 2py -0.031625 0.000280 -0.021729 -0.041953 -0.024863 0.007732 26O 3pz -0.033999 -0.024569 -0.009024 0.027398 -0.007545 0.009941 26O 3px -0.082292 -0.024828 -0.017009 -0.018451 -0.059613 0.039085 26O 3py -0.039825 0.037370 0.012067 0.036927 0.006351 0.023709 26O 1dz2 -0.002847 -0.018770 -0.002988 0.001982 0.016294 0.013513 26O 1dxz 0.003722 -0.011606 0.004458 -0.002595 0.002643 -0.001965 26O 1dyz -0.001755 0.005231 0.012817 0.003249 -0.011960 0.009980 26O 1dx2y2 -0.001051 -0.013610 0.008006 -0.015840 0.004383 0.010303 26O 1dxy 0.001050 0.008040 -0.010367 -0.004447 0.006947 0.011810 26O 2dz2 -0.011842 0.006183 -0.001794 -0.011555 -0.009319 0.015750 26O 2dxz 0.013352 0.004008 0.002755 0.002962 0.004660 0.017678 26O 2dyz 0.011696 0.004774 0.003211 -0.007698 -0.000593 0.004228 26O 2dx2y2 0.016611 0.002672 -0.013235 0.011085 0.025660 -0.022992 26O 2dxy 0.025046 -0.006456 0.010985 0.005303 0.004984 -0.015512 26O 1f0 -0.038921 -0.314566 0.136268 -0.125306 -0.064014 -0.021130 26O 1f+1 0.043736 0.081864 -0.013238 -0.026758 -0.100938 -0.176007 26O 1f-1 -0.112962 -0.031191 0.108949 0.156752 -0.032519 0.295598 26O 1f+2 -0.038349 -0.126546 0.092289 -0.077074 -0.064009 0.068951 26O 1f-2 -0.017184 -0.185826 0.014856 -0.067205 0.060541 0.000517 26O 1f+3 -0.042197 -0.065303 0.079104 0.007520 -0.032473 0.106608 26O 1f-3 0.013925 -0.025809 -0.062114 -0.029145 0.103969 0.009822 27O 1s -0.000014 -0.000969 -0.000704 -0.000556 -0.001112 -0.000678 27O 2s 0.000046 -0.003264 -0.002793 -0.002094 -0.003631 -0.002671 27O 3s -0.004135 0.029853 0.039018 0.027196 0.024848 0.036790 27O 4s 0.000342 -0.041253 -0.150411 -0.074425 -0.013786 -0.144126 27O 5s 0.131371 0.083839 0.012250 -0.059195 0.099029 0.054927 27O 1pz 0.012655 -0.002043 -0.001253 -0.011214 0.004237 0.004598 27O 1px 0.006342 -0.000985 -0.003169 -0.007200 -0.003816 -0.003305 27O 1py 0.004302 -0.003411 -0.005912 -0.004337 -0.002322 -0.009506 27O 2pz -0.042626 0.005788 -0.011342 0.021716 -0.015623 -0.026170 27O 2px -0.035193 -0.003273 0.063038 0.049549 -0.022437 0.054540 27O 2py -0.005037 0.016901 -0.000875 -0.006723 0.026467 0.030784 27O 3pz 0.058904 0.007828 -0.009555 -0.053806 0.017170 -0.008544 27O 3px -0.038848 0.004502 0.031573 0.044542 -0.003626 0.009801 27O 3py 0.027156 -0.020039 -0.021195 -0.049108 0.004658 -0.029237 27O 1dz2 0.011307 -0.018171 0.007339 0.001720 0.015547 0.001469 27O 1dxz -0.003091 -0.005081 -0.008731 -0.013563 0.010470 0.011726 27O 1dyz -0.011583 0.010787 -0.006028 0.009109 -0.012614 -0.016211 27O 1dx2y2 -0.001174 -0.014832 -0.001426 -0.005691 -0.003681 0.006159 27O 1dxy -0.003920 0.000237 -0.007992 -0.009186 0.000740 0.002334 27O 2dz2 -0.010878 0.002907 0.010155 0.011545 -0.002136 0.003891 27O 2dxz 0.006574 -0.005840 0.012314 0.010054 -0.000940 0.010170 27O 2dyz 0.000270 0.006494 -0.002870 -0.003603 0.007483 0.000795 27O 2dx2y2 0.011533 -0.004921 -0.011180 -0.009852 0.008036 -0.013241 27O 2dxy -0.000928 -0.002062 0.012141 0.016743 -0.007012 -0.009271 27O 1f0 0.035843 -0.106176 -0.175219 -0.107550 -0.108046 -0.093733 27O 1f+1 -0.151801 0.150456 -0.031342 0.038939 -0.091767 -0.066833 27O 1f-1 -0.434870 0.163429 0.187860 0.430938 -0.171162 -0.262002 27O 1f+2 0.037477 -0.103581 -0.058824 -0.001934 -0.101424 -0.077101 27O 1f-2 -0.021242 -0.014589 0.069996 0.038267 0.020064 0.039365 27O 1f+3 0.091590 -0.082601 -0.007950 -0.064325 0.069731 0.063312 27O 1f-3 0.068403 0.015826 -0.082705 -0.146655 0.014348 0.073233 28O 1s -0.000607 0.000317 0.000618 -0.001882 -0.000060 0.002041 28O 2s -0.002762 0.000933 0.002392 -0.006292 -0.000296 0.008009 28O 3s 0.043553 -0.003135 -0.033153 0.053359 0.003204 -0.107706 28O 4s -0.179180 -0.018137 0.124814 -0.082500 -0.022713 0.403864 28O 5s 0.016387 -0.031689 0.004339 0.148049 0.005494 -0.061839 28O 1pz 0.003805 -0.001324 0.002595 0.004582 -0.007437 -0.006122 28O 1px -0.001985 -0.003346 -0.002375 0.005743 -0.001767 -0.019659 28O 1py 0.000891 0.002615 -0.013375 0.007094 0.013310 -0.010236 28O 2pz 0.038446 0.017613 -0.024546 -0.037648 0.012155 -0.053902 28O 2px -0.055414 -0.005867 0.048590 -0.005614 -0.005147 0.165475 28O 2py 0.004928 -0.002575 0.032080 -0.030527 -0.031345 0.030591 28O 3pz 0.060851 -0.004528 -0.004505 0.029166 -0.032136 -0.072768 28O 3px -0.030707 -0.009759 0.026505 -0.001693 -0.018894 0.034177 28O 3py 0.009362 0.004079 -0.035552 0.030764 0.038850 -0.038265 28O 1dz2 -0.001115 0.010246 0.002619 0.006006 -0.015524 -0.010955 28O 1dxz 0.005872 0.006794 -0.003276 0.011076 0.001892 -0.001689 28O 1dyz 0.007741 -0.004755 -0.011545 0.007244 0.019481 -0.018514 28O 1dx2y2 0.001763 0.016884 -0.005607 -0.003372 -0.005201 -0.003163 28O 1dxy 0.001563 -0.005884 0.003812 -0.001974 -0.006687 -0.013223 28O 2dz2 -0.008920 0.003875 -0.011193 0.002469 0.009598 -0.007084 28O 2dxz 0.022293 0.005718 -0.007065 -0.005141 -0.004364 -0.030154 28O 2dyz -0.009442 -0.001516 0.002016 -0.006838 -0.001639 -0.004913 28O 2dx2y2 -0.009031 -0.000369 0.011400 -0.001624 -0.002551 0.030768 28O 2dxy 0.004440 0.003106 0.000872 -0.006223 0.001300 0.006451 28O 1f0 -0.037647 -0.098011 0.173057 -0.080863 -0.153493 0.031388 28O 1f+1 -0.036490 -0.049930 0.200485 -0.045667 -0.233733 0.002480 28O 1f-1 0.080979 -0.040593 0.044943 0.141110 -0.112903 -0.245010 28O 1f+2 -0.047554 -0.035183 0.300211 -0.080380 -0.368119 -0.031137 28O 1f-2 0.093766 -0.025715 -0.035413 0.139542 -0.003522 -0.261574 28O 1f+3 0.022003 -0.054123 -0.216080 0.020714 0.333488 0.092372 28O 1f-3 -0.079890 0.091907 0.013450 -0.080796 0.012377 0.268240 29O 1s -0.000150 -0.000157 -0.000072 -0.000018 -0.000215 -0.000016 29O 2s -0.000490 -0.000403 -0.000203 0.000005 -0.000566 0.000016 29O 3s 0.004372 0.001847 0.001168 -0.001245 0.002561 -0.001485 29O 4s -0.007628 0.000956 -0.000107 0.006830 -0.001394 0.004757 29O 5s 0.005645 0.002682 0.000657 -0.009422 0.021945 0.005937 29O 1pz 0.002074 -0.000182 -0.000504 -0.004269 -0.002792 0.002952 29O 1px 0.004596 -0.001655 0.000228 -0.006485 -0.001894 -0.001221 29O 1py 0.001868 0.003260 0.001207 -0.001980 0.004888 0.000262 29O 2pz -0.013260 0.001949 0.005402 0.019092 0.012734 -0.005953 29O 2px -0.013111 0.004754 0.001454 0.019066 0.009882 0.004830 29O 2py -0.003463 -0.009632 -0.003790 0.002658 -0.016388 -0.002856 29O 3pz -0.005824 -0.004554 0.002737 -0.016404 -0.004848 0.005542 29O 3px 0.005670 0.006088 0.005281 -0.005229 0.003407 0.000940 29O 3py 0.004791 0.008966 0.001216 -0.007715 0.002018 -0.008028 29O 1dz2 0.000958 0.002405 0.002385 0.000372 -0.001762 -0.002884 29O 1dxz 0.010361 0.002952 0.000804 -0.003889 -0.003205 -0.001075 29O 1dyz -0.001066 -0.001276 -0.003938 0.001875 -0.000490 0.000241 29O 1dx2y2 0.002031 -0.002614 -0.002548 -0.002486 -0.006246 -0.001521 29O 1dxy 0.012779 0.002148 0.003898 -0.006169 0.000950 -0.003549 29O 2dz2 0.004849 -0.000052 -0.001030 -0.004264 -0.003043 -0.001890 29O 2dxz 0.002004 0.003605 0.003763 0.002108 0.004129 0.001317 29O 2dyz 0.007223 -0.000627 -0.003547 -0.006747 -0.004737 -0.000508 29O 2dx2y2 -0.008208 -0.005760 -0.002773 0.002423 -0.005151 0.000871 29O 2dxy 0.005312 -0.001727 -0.001373 -0.005588 -0.004653 -0.001932 29O 1f0 0.046043 0.033039 0.014200 -0.009810 0.029214 -0.003980 29O 1f+1 -0.040817 -0.027340 -0.013774 0.010649 -0.024961 -0.003766 29O 1f-1 -0.077284 -0.045747 -0.024903 0.023423 -0.032224 0.010612 29O 1f+2 -0.092499 -0.046645 -0.030541 0.038439 -0.023701 0.017070 29O 1f-2 0.004101 0.017917 0.000980 0.001380 0.017385 0.003897 29O 1f+3 -0.060627 -0.007305 -0.017402 0.024374 0.016555 0.019528 29O 1f-3 0.106043 0.080223 0.031326 -0.027335 0.055324 -0.005272 30O 1s 0.000519 -0.001127 0.000817 -0.000438 -0.001242 0.000943 30O 2s 0.002056 -0.003792 0.003190 -0.001627 -0.003613 0.003601 30O 3s -0.031530 0.036764 -0.043231 0.019801 0.015034 -0.047238 30O 4s 0.113047 -0.068614 0.151891 -0.061259 0.053416 0.178220 30O 5s 0.097848 0.026671 -0.018935 0.012845 0.139061 0.010359 30O 1pz -0.009327 0.007545 -0.004927 -0.008403 0.003556 0.004112 30O 1px -0.004735 0.006000 -0.003848 0.001528 0.001164 -0.011447 30O 1py -0.008852 0.004066 -0.000160 -0.009080 -0.009121 0.009146 30O 2pz 0.003958 -0.016433 -0.016459 0.021389 -0.050173 -0.031115 30O 2px 0.054879 -0.025751 0.051846 -0.020264 0.043328 0.081341 30O 2py 0.056739 -0.005089 0.021965 0.015595 0.065317 0.001833 30O 3pz -0.084910 0.048531 -0.026387 -0.021979 -0.010303 0.022364 30O 3px 0.035715 -0.000207 0.019666 -0.009433 0.027937 0.018079 30O 3py -0.000432 -0.008010 0.023232 -0.060065 -0.014678 0.033820 30O 1dz2 -0.001613 0.021927 -0.008025 -0.005409 -0.007649 0.001329 30O 1dxz -0.014069 0.008761 0.008350 0.013376 0.000785 -0.004141 30O 1dyz 0.003348 -0.009124 0.005963 -0.002662 0.007066 0.010993 30O 1dx2y2 -0.008919 0.011477 -0.003489 0.001771 -0.012882 -0.005033 30O 1dxy -0.007180 -0.003580 0.010794 0.008830 -0.007382 0.001944 30O 2dz2 -0.008998 0.001478 0.002535 0.011737 -0.001082 -0.009822 30O 2dxz -0.007917 0.005533 -0.013199 0.000749 -0.017070 -0.007328 30O 2dyz -0.010770 0.007778 -0.013447 -0.002051 -0.001630 -0.000601 30O 2dx2y2 0.004335 -0.003097 0.005144 -0.002051 0.007739 0.012966 30O 2dxy 0.020322 -0.002382 0.009095 -0.005261 0.017872 0.010196 30O 1f0 0.144203 -0.202337 0.123852 0.010257 -0.035230 0.091197 30O 1f+1 -0.033131 0.061520 -0.068649 -0.180214 -0.060590 0.140776 30O 1f-1 0.219713 -0.207871 0.211279 0.233409 0.021307 -0.065335 30O 1f+2 -0.158474 0.146373 -0.042988 -0.077220 -0.124222 0.061255 30O 1f-2 0.187727 -0.237205 0.213807 0.115741 -0.034740 0.070619 30O 1f+3 0.181312 -0.203344 0.165353 0.143178 0.085811 -0.005338 30O 1f-3 0.012469 -0.000603 -0.103792 -0.076538 0.080671 -0.036537 31O 1s 0.000509 0.001136 0.000806 0.000424 0.001277 0.000928 31O 2s 0.002031 0.003827 0.003165 0.001569 0.003748 0.003567 31O 3s -0.031585 -0.037189 -0.043300 -0.018970 -0.016777 -0.047252 31O 4s 0.114415 0.069739 0.153637 0.058139 -0.047200 0.179547 31O 5s 0.100847 -0.026231 -0.016920 -0.014052 -0.139357 0.012389 31O 1pz 0.009359 0.007574 0.004795 -0.008505 0.003608 -0.004312 31O 1px 0.004848 0.006143 0.003948 0.001433 0.001488 0.011440 31O 1py 0.009029 0.004080 0.000204 -0.009084 -0.009358 -0.008966 31O 2pz -0.003629 -0.016434 0.017343 0.021090 -0.049445 0.032340 31O 2px -0.055962 -0.026357 -0.052891 -0.019052 0.040786 -0.082086 31O 2py -0.058019 -0.005200 -0.022757 0.016208 0.065156 -0.003021 31O 3pz 0.084487 0.048861 0.026055 -0.022751 -0.010381 -0.022267 31O 3px -0.036390 -0.000451 -0.020235 -0.008518 0.027282 -0.018735 31O 3py 0.000428 -0.008388 -0.023475 -0.059742 -0.015246 -0.033961 31O 1dz2 -0.001553 -0.021952 -0.008023 0.005455 0.007627 0.001412 31O 1dxz -0.014171 -0.008784 0.008242 -0.013371 -0.000682 -0.004115 31O 1dyz 0.003430 0.009212 0.006122 0.002579 -0.006807 0.010998 31O 1dx2y2 -0.009033 -0.011487 -0.003599 -0.001729 0.012806 -0.005045 31O 1dxy -0.007282 0.003607 0.010689 -0.008938 0.007641 0.001837 31O 2dz2 -0.009220 -0.001530 0.002395 -0.011656 0.000909 -0.009821 31O 2dxz -0.007906 -0.005617 -0.013365 -0.000526 0.016727 -0.007664 31O 2dyz -0.010926 -0.007827 -0.013430 0.002289 0.001346 -0.000773 31O 2dx2y2 0.004337 0.003207 0.005234 0.001979 -0.007459 0.013040 31O 2dxy 0.020833 0.002479 0.009391 0.005010 -0.017604 0.010531 31O 1f0 -0.146376 -0.203638 -0.123865 0.012272 -0.038385 -0.089521 31O 1f+1 0.033524 0.061531 0.067170 -0.179748 -0.062546 -0.140464 31O 1f-1 -0.223389 -0.209594 -0.209488 0.235119 0.019974 0.066440 31O 1f+2 0.162532 0.147190 0.043510 -0.076986 -0.126140 -0.060828 31O 1f-2 -0.190641 -0.239358 -0.213035 0.118463 -0.038991 -0.068728 31O 1f+3 -0.184911 -0.205002 -0.165158 0.144568 0.084269 0.005872 31O 1f-3 -0.013486 -0.000035 0.102782 -0.078074 0.083740 0.035507 32O 1s -0.000144 0.000161 -0.000078 0.000023 0.000214 -0.000025 32O 2s -0.000472 0.000412 -0.000220 0.000009 0.000560 -0.000009 32O 3s 0.004235 -0.001874 0.001289 0.001185 -0.002492 -0.001383 32O 4s -0.007342 -0.000937 -0.000400 -0.006853 0.001246 0.004763 32O 5s 0.004875 -0.003410 0.001882 0.009091 -0.021827 0.006863 32O 1pz -0.002164 -0.000208 0.000494 -0.004376 -0.002815 -0.002956 32O 1px -0.004693 -0.001676 -0.000288 -0.006405 -0.001835 0.001344 32O 1py -0.001997 0.003303 -0.001298 -0.001998 0.004889 -0.000341 32O 2pz 0.013791 0.001962 -0.005268 0.019602 0.012668 0.005824 32O 2px 0.013462 0.004879 -0.001342 0.019000 0.009662 -0.005316 32O 2py 0.003895 -0.009783 0.003974 0.002800 -0.016203 0.003207 32O 3pz 0.005859 -0.004378 -0.002803 -0.016401 -0.004826 -0.005717 32O 3px -0.005905 0.006179 -0.005232 -0.004853 0.003544 -0.001215 32O 3py -0.004925 0.008733 -0.001367 -0.007668 0.002161 0.008187 32O 1dz2 0.000931 -0.002445 0.002558 -0.000450 0.001774 -0.002871 32O 1dxz 0.010046 -0.002841 0.000804 0.003672 0.003167 -0.000997 32O 1dyz -0.000678 0.001296 -0.003892 -0.001591 0.000576 0.000073 32O 1dx2y2 0.001818 0.002711 -0.002568 0.002442 0.006206 -0.001595 32O 1dxy 0.012961 -0.002120 0.004039 0.006044 -0.000875 -0.003626 32O 2dz2 0.004639 -0.000017 -0.000779 0.003957 0.002709 -0.001841 32O 2dxz 0.001616 -0.003668 0.003875 -0.002561 -0.004158 0.001490 32O 2dyz 0.007519 0.000704 -0.003521 0.007050 0.004706 -0.000605 32O 2dx2y2 -0.008463 0.005804 -0.002842 -0.002498 0.005079 0.000795 32O 2dxy 0.005358 0.001776 -0.001300 0.005559 0.004506 -0.002084 32O 1f0 -0.049925 0.035641 -0.016257 -0.010057 0.031064 0.004244 32O 1f+1 0.041627 -0.028601 0.014664 0.010048 -0.026056 0.004212 32O 1f-1 0.078048 -0.045945 0.026396 0.022823 -0.031946 -0.010586 32O 1f+2 0.086103 -0.043198 0.029807 0.034971 -0.021840 -0.016160 32O 1f-2 -0.003089 0.016643 -0.000784 0.001717 0.015836 -0.003854 32O 1f+3 0.062935 -0.008618 0.018801 0.023931 0.015656 -0.020272 32O 1f-3 -0.107200 0.082228 -0.033575 -0.025794 0.057273 0.004177 33O 1s -0.000593 -0.000317 0.000637 0.001876 0.000077 0.002042 33O 2s -0.002730 -0.000936 0.002458 0.006273 0.000369 0.008008 33O 3s 0.043656 0.003279 -0.033793 -0.053079 -0.004278 -0.107643 33O 4s -0.180697 0.017654 0.126137 0.081648 0.027052 0.403053 33O 5s 0.011852 0.031993 0.005203 -0.148441 -0.003845 -0.061678 33O 1pz -0.003731 -0.001300 -0.002553 0.004631 -0.007574 0.006137 33O 1px 0.001835 -0.003229 0.002635 0.005756 -0.001462 0.019626 33O 1py -0.000719 0.002634 0.013293 0.007004 0.013593 0.010048 33O 2pz -0.039548 0.017224 0.024627 -0.037882 0.013477 0.053773 33O 2px 0.057137 -0.006003 -0.049376 -0.005233 -0.007378 -0.165104 33O 2py -0.005997 -0.002615 -0.031893 -0.030343 -0.031950 -0.029872 33O 3pz -0.060294 -0.004157 0.005841 0.028759 -0.031271 0.073207 33O 3px 0.032016 -0.009656 -0.027022 -0.001035 -0.020165 -0.033945 33O 3py -0.009076 0.004120 0.035404 0.030234 0.039730 0.038614 33O 1dz2 -0.000997 -0.010230 0.002354 -0.006011 0.015353 -0.010906 33O 1dxz 0.005913 -0.006903 -0.003388 -0.011117 -0.002039 -0.001565 33O 1dyz 0.007634 0.004643 -0.011381 -0.007257 -0.019697 -0.018230 33O 1dx2y2 0.002126 -0.016963 -0.005530 0.003446 0.005143 -0.003077 33O 1dxy 0.001329 0.005987 0.003712 0.001911 0.006634 -0.013261 33O 2dz2 -0.008667 -0.004068 -0.011072 -0.002290 -0.009763 -0.006927 33O 2dxz 0.022708 -0.005529 -0.007265 0.005228 0.003922 -0.030151 33O 2dyz -0.009773 0.001410 0.001998 0.006836 0.001581 -0.004742 33O 2dx2y2 -0.009478 0.000387 0.011514 0.001433 0.002960 0.030711 33O 2dxy 0.004959 -0.003085 0.000911 0.006210 -0.001292 0.006280 33O 1f0 0.037403 -0.098143 -0.171627 -0.080009 -0.156038 -0.029872 33O 1f+1 0.035096 -0.049829 -0.197609 -0.044203 -0.235993 -0.000354 33O 1f-1 -0.081832 -0.040195 -0.042708 0.142001 -0.112227 0.245164 33O 1f+2 0.042700 -0.034210 -0.295999 -0.078126 -0.371273 0.034154 33O 1f-2 -0.094600 -0.024610 0.036686 0.140023 -0.001568 0.260420 33O 1f+3 -0.015280 -0.055173 0.212136 0.018964 0.335011 -0.094697 33O 1f-3 0.077560 0.091485 -0.014820 -0.081159 0.010542 -0.266805 34O 1s -0.000035 0.000967 -0.000721 0.000565 0.001085 -0.000681 34O 2s -0.000029 0.003259 -0.002852 0.002133 0.003524 -0.002686 34O 3s -0.003423 -0.029861 0.039561 -0.027794 -0.023285 0.036896 34O 4s -0.000900 0.041339 -0.151294 0.076980 0.007496 -0.144013 34O 5s 0.133020 -0.082959 0.013521 0.057508 -0.097854 0.055001 34O 1pz -0.013017 -0.002145 0.001044 -0.011168 0.004121 -0.004570 34O 1px -0.006388 -0.000972 0.003208 -0.007225 -0.003656 0.003411 34O 1py -0.004415 -0.003370 0.005911 -0.004399 -0.002072 0.009448 34O 2pz 0.043901 0.006222 0.012041 0.021355 -0.014829 0.026109 34O 2px 0.035426 -0.003013 -0.063077 0.050544 -0.025166 -0.054714 34O 2py 0.005148 0.016710 0.000498 -0.006714 0.025999 -0.030738 34O 3pz -0.059138 0.007472 0.008932 -0.053522 0.017080 0.008606 34O 3px 0.039371 0.004526 -0.031464 0.044465 -0.005125 -0.009769 34O 3py -0.027645 -0.019881 0.020634 -0.049416 0.006057 0.028704 34O 1dz2 0.011365 0.018198 0.007470 -0.001781 -0.015642 0.001516 34O 1dxz -0.002940 0.005099 -0.008482 0.013643 -0.010516 0.011791 34O 1dyz -0.011722 -0.010909 -0.006214 -0.008962 0.012317 -0.016266 34O 1dx2y2 -0.001258 0.014919 -0.001384 0.005706 0.003693 0.006055 34O 1dxy -0.003869 -0.000365 -0.007917 0.009245 -0.000954 0.002318 34O 2dz2 -0.011010 -0.003027 0.010171 -0.011684 0.002461 0.003929 34O 2dxz 0.006845 0.006063 0.012321 -0.010220 0.001382 0.010102 34O 2dyz 0.000466 -0.006569 -0.002693 0.003641 -0.007552 0.000885 34O 2dx2y2 0.011633 0.005004 -0.011222 0.010054 -0.008692 -0.013292 34O 2dxy -0.000681 0.001882 0.011983 -0.016831 0.006952 -0.009276 34O 1f0 -0.036936 -0.106009 0.175756 -0.109854 -0.101928 0.094604 34O 1f+1 0.155488 0.151355 0.032927 0.038269 -0.091286 0.066932 34O 1f-1 0.446543 0.165164 -0.181539 0.430725 -0.172181 0.262861 34O 1f+2 -0.037893 -0.103671 0.060047 -0.002996 -0.098184 0.078215 34O 1f-2 0.022292 -0.014832 -0.070038 0.039246 0.017803 -0.039196 34O 1f+3 -0.094304 -0.083104 0.006350 -0.064125 0.069573 -0.063602 34O 1f-3 -0.070396 0.015820 0.081105 -0.146826 0.014709 -0.073405 35O 1s 0.000801 -0.000419 -0.000371 0.001596 -0.000106 -0.001511 35O 2s 0.003600 -0.001344 -0.001403 0.004960 -0.000905 -0.005925 35O 3s -0.056181 0.008722 0.017053 -0.031776 0.022786 0.080739 35O 4s 0.211898 0.002925 -0.072763 -0.005945 -0.100845 -0.305516 35O 5s 0.004029 -0.003885 0.059448 -0.164971 -0.107845 0.052061 35O 1pz 0.002018 -0.006621 -0.005472 0.003380 -0.000908 -0.016965 35O 1px 0.004844 -0.002853 0.002827 -0.001371 0.005174 0.007377 35O 1py 0.001196 0.005161 -0.005182 0.005824 0.004573 -0.010445 35O 2pz 0.001857 0.019374 0.017406 -0.024763 -0.002545 0.063082 35O 2px 0.072406 0.016420 -0.028382 -0.050268 -0.071596 -0.118916 35O 2py 0.032201 0.000274 0.021894 -0.042809 -0.024873 -0.007052 35O 3pz 0.034662 -0.025036 0.009086 0.026576 -0.007661 -0.009822 35O 3px 0.082211 -0.024976 0.017557 -0.019702 -0.060022 -0.037566 35O 3py 0.039617 0.037218 -0.012404 0.036670 0.005087 -0.023562 35O 1dz2 -0.003277 0.018890 -0.002992 -0.001987 -0.016328 0.013553 35O 1dxz 0.003461 0.011626 0.004467 0.002523 -0.002600 -0.001967 35O 1dyz -0.001789 -0.005146 0.012645 -0.003379 0.012103 0.009884 35O 1dx2y2 -0.001238 0.013680 0.008222 0.015794 -0.004091 0.010259 35O 1dxy 0.001182 -0.007982 -0.010085 0.004594 -0.006912 0.011763 35O 2dz2 -0.011539 -0.006172 -0.001718 0.011740 0.009608 0.015404 35O 2dxz 0.013174 -0.003938 0.002795 -0.003073 -0.004727 0.017823 35O 2dyz 0.011692 -0.004774 0.003261 0.007624 0.000515 0.004292 35O 2dx2y2 0.016294 -0.002763 -0.013119 -0.011162 -0.026226 -0.022314 35O 2dxy 0.025294 0.006385 0.010911 -0.005740 -0.005354 -0.015238 35O 1f0 0.052455 -0.317477 -0.133767 -0.125400 -0.064827 0.022594 35O 1f+1 -0.047657 0.083095 0.013682 -0.026544 -0.100289 0.176074 35O 1f-1 0.114857 -0.032864 -0.107441 0.156952 -0.035016 -0.293885 35O 1f+2 0.044718 -0.128252 -0.090777 -0.077037 -0.064958 -0.067582 35O 1f-2 0.025793 -0.187297 -0.014719 -0.067741 0.060327 -0.000523 35O 1f+3 0.043818 -0.066043 -0.078327 0.007950 -0.033876 -0.105598 35O 1f-3 -0.011974 -0.026023 0.060601 -0.029744 0.104319 -0.010698 624 625 626 627 628 629 5.18170 5.19261 5.20349 5.20542 5.20965 5.21752 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s -0.000024 -0.001745 0.000287 0.000296 -0.000409 0.000814 0Rh 2s 0.000207 0.010504 -0.001757 -0.001810 0.002404 -0.004686 0Rh 3s -0.000023 -0.004272 0.000683 0.000710 -0.001036 0.002126 0Rh 4s -0.001201 -0.064615 0.010793 0.011137 -0.014855 0.029176 0Rh 5s 0.002758 0.159181 -0.026657 -0.027626 0.036674 -0.073695 0Rh 6s -0.001860 -0.143288 0.024228 0.025735 -0.032912 0.075714 0Rh 7s -0.008700 0.095223 -0.015595 -0.017553 0.013829 -0.306699 0Rh 8s -0.007083 -0.049817 0.028596 0.036170 -0.069559 0.118416 0Rh 1pz 0.004164 0.005044 0.021258 -0.012814 -0.002426 -0.006163 0Rh 1px 0.005813 -0.028005 0.008981 -0.002017 -0.003094 0.025839 0Rh 1py -0.022306 0.002151 0.005563 0.014001 -0.020669 0.012166 0Rh 2pz -0.017026 -0.020575 -0.086587 0.052276 0.009859 0.025386 0Rh 2px -0.023749 0.114627 -0.036622 0.008165 0.012681 -0.106219 0Rh 2py 0.090884 -0.008706 -0.022728 -0.057063 0.084184 -0.049893 0Rh 3pz 0.050627 0.059770 0.251080 -0.153073 -0.028228 -0.079059 0Rh 3px 0.070359 -0.341756 0.106759 -0.022910 -0.037975 0.326646 0Rh 3py -0.264428 0.024496 0.067215 0.166074 -0.243897 0.151172 0Rh 4pz -0.056957 -0.060896 -0.262757 0.164527 0.028822 0.100233 0Rh 4px -0.078938 0.380559 -0.112578 0.022511 0.042263 -0.401566 0Rh 4py 0.281411 -0.024730 -0.074213 -0.175379 0.254061 -0.178646 0Rh 5pz 0.023744 0.006958 0.065993 -0.051104 -0.006041 -0.068993 0Rh 5px 0.033379 -0.130214 0.028498 -0.004044 -0.015538 0.246775 0Rh 5py -0.088090 0.009689 0.026404 0.046766 -0.060287 0.086527 0Rh 6pz -0.031279 0.084829 0.114322 -0.013169 -0.050253 0.201201 0Rh 6px -0.036246 -0.148835 0.046006 -0.016196 0.047707 -0.453476 0Rh 6py 0.057326 -0.112505 -0.002389 0.062873 -0.158067 0.252858 0Rh 1dz2 0.001156 -0.010755 -0.002338 -0.003774 -0.005989 0.005826 0Rh 1dxz -0.000059 -0.009155 0.003524 0.001759 -0.003533 0.004104 0Rh 1dyz 0.003193 -0.003540 -0.005589 -0.013836 -0.009685 0.005711 0Rh 1dx2y2 0.001946 0.014876 -0.002346 -0.005360 0.003425 -0.003816 0Rh 1dxy -0.008075 0.008209 -0.004553 -0.006227 -0.003144 -0.005615 0Rh 2dz2 -0.000112 0.002468 0.001595 0.001843 0.002010 -0.002499 0Rh 2dxz -0.000058 0.002440 -0.001810 -0.000163 0.000740 -0.002011 0Rh 2dyz -0.001122 0.000934 0.003033 0.006563 0.004047 -0.001453 0Rh 2dx2y2 -0.000711 -0.003601 0.000469 0.001960 -0.000555 0.001557 0Rh 2dxy 0.002116 -0.001999 0.001346 0.002022 0.002530 0.000581 0Rh 3dz2 -0.004811 0.038293 0.003352 0.008745 0.018341 -0.015527 0Rh 3dxz 0.000542 0.031058 -0.007986 -0.007358 0.013002 -0.009823 0Rh 3dyz -0.009564 0.012073 0.011595 0.033286 0.025852 -0.019727 0Rh 3dx2y2 -0.005720 -0.052035 0.008641 0.015711 -0.013375 0.010571 0Rh 3dxy 0.027659 -0.028761 0.014754 0.019295 0.002751 0.023530 0Rh 4dz2 0.008377 -0.060707 0.002304 -0.006546 -0.024851 0.018205 0Rh 4dxz -0.001378 -0.047580 0.006298 0.013204 -0.021539 0.009688 0Rh 4dyz 0.012509 -0.018778 -0.005919 -0.028982 -0.028198 0.029949 0Rh 4dx2y2 0.007474 0.081253 -0.014053 -0.020165 0.023483 -0.013143 0Rh 4dxy -0.042963 0.044966 -0.020826 -0.025921 0.008267 -0.043063 0Rh 5dz2 -0.007002 0.047399 -0.030508 -0.000921 0.021490 0.015981 0Rh 5dxz 0.003906 0.035874 0.032524 -0.023424 0.018012 0.021369 0Rh 5dyz 0.002108 0.017086 -0.015395 -0.023765 0.014166 -0.008824 0Rh 5dx2y2 -0.001622 -0.060729 0.020571 0.001621 -0.020586 -0.015412 0Rh 5dxy 0.033118 -0.026393 0.017235 0.028052 -0.057716 0.042354 0Rh 1f0 0.009342 -0.003675 0.004811 -0.008277 0.005907 0.000243 0Rh 1f+1 0.000945 0.003524 0.002345 0.001231 0.001913 0.002114 0Rh 1f-1 0.010382 -0.004809 -0.012348 -0.002919 0.008358 0.004242 0Rh 1f+2 0.005309 0.001268 0.008298 -0.009022 0.002245 0.005878 0Rh 1f-2 0.008870 -0.002504 0.000617 0.000946 0.009555 0.003758 0Rh 1f+3 -0.004944 0.004823 -0.003999 0.003149 -0.001592 0.003855 0Rh 1f-3 0.001347 0.002822 -0.000536 -0.003550 -0.004331 0.002033 1Rh 1s -0.000022 0.001747 -0.000295 -0.000298 0.000413 0.000810 1Rh 2s 0.000193 -0.010518 0.001808 0.001819 -0.002430 -0.004674 1Rh 3s -0.000018 0.004278 -0.000703 -0.000713 0.001048 0.002107 1Rh 4s -0.001115 0.064700 -0.011107 -0.011190 0.015013 0.029095 1Rh 5s 0.002548 -0.159393 0.027450 0.027759 -0.037066 -0.073517 1Rh 6s -0.001676 0.143487 -0.025043 -0.025866 0.033282 0.075706 1Rh 7s -0.008778 -0.095950 0.018495 0.018836 -0.015384 -0.308129 1Rh 8s -0.007049 0.049885 -0.029594 -0.037194 0.070147 0.116103 1Rh 1pz -0.004210 0.005021 0.021165 -0.012882 -0.002417 0.006313 1Rh 1px -0.005905 -0.028092 0.009221 -0.001908 -0.003295 -0.025703 1Rh 1py 0.022477 0.002067 0.005640 0.014074 -0.020758 -0.011886 1Rh 2pz 0.017212 -0.020479 -0.086206 0.052556 0.009820 -0.025997 1Rh 2px 0.024125 0.114985 -0.037608 0.007716 0.013509 0.105664 1Rh 2py -0.091586 -0.008362 -0.023046 -0.057365 0.084547 0.048753 1Rh 3pz -0.051178 0.059507 0.249932 -0.153922 -0.028085 0.080834 1Rh 3px -0.071488 -0.342853 0.109778 -0.021538 -0.040498 -0.325058 1Rh 3py 0.266555 0.023481 0.068174 0.167010 -0.244976 -0.147849 1Rh 4pz 0.057575 -0.060656 -0.261409 0.165529 0.028580 -0.102085 1Rh 4px 0.080229 0.381881 -0.116243 0.020848 0.045285 0.399988 1Rh 4py -0.283925 -0.023612 -0.075331 -0.176534 0.255273 0.175126 1Rh 5pz -0.024008 0.006918 0.065259 -0.051647 -0.005760 0.069225 1Rh 5px -0.033919 -0.130945 0.030682 -0.003035 -0.017213 -0.246461 1Rh 5py 0.089349 0.009295 0.026887 0.047422 -0.060760 -0.085576 1Rh 6pz 0.031824 0.087338 0.116868 -0.011745 -0.051441 -0.195091 1Rh 6px 0.036361 -0.147243 0.041928 -0.018403 0.050535 0.449760 1Rh 6py -0.058347 -0.112673 0.000463 0.063917 -0.159969 -0.249512 1Rh 1dz2 0.001192 0.010794 0.002323 0.003744 0.006012 0.005822 1Rh 1dxz -0.000027 0.009240 -0.003543 -0.001763 0.003579 0.004071 1Rh 1dyz 0.003220 0.003779 0.005547 0.013753 0.009745 0.006069 1Rh 1dx2y2 0.001911 -0.014822 0.002357 0.005289 -0.003401 -0.003589 1Rh 1dxy -0.008007 -0.008098 0.004564 0.006253 0.003157 -0.005338 1Rh 2dz2 -0.000108 -0.002478 -0.001584 -0.001822 -0.002014 -0.002498 1Rh 2dxz -0.000062 -0.002452 0.001821 0.000169 -0.000751 -0.002001 1Rh 2dyz -0.001133 -0.000984 -0.003032 -0.006540 -0.004057 -0.001488 1Rh 2dx2y2 -0.000699 0.003600 -0.000488 -0.001952 0.000566 0.001537 1Rh 2dxy 0.002113 0.001977 -0.001354 -0.002019 -0.002531 0.000566 1Rh 3dz2 -0.004992 -0.038426 -0.003332 -0.008709 -0.018428 -0.015519 1Rh 3dxz 0.000416 -0.031400 0.008024 0.007350 -0.013165 -0.009716 1Rh 3dyz -0.009642 -0.012951 -0.011405 -0.033007 -0.026087 -0.021245 1Rh 3dx2y2 -0.005612 0.051796 -0.008606 -0.015423 0.013215 0.009606 1Rh 3dxy 0.027364 0.028352 -0.014769 -0.019429 -0.002805 0.022308 1Rh 4dz2 0.008746 0.060929 -0.002301 0.006580 0.025006 0.018246 1Rh 4dxz -0.001160 0.048191 -0.006322 -0.013168 0.021804 0.009489 1Rh 4dyz 0.012640 0.020253 0.005539 0.028571 0.028624 0.032873 1Rh 4dx2y2 0.007325 -0.080818 0.013898 0.019664 -0.023137 -0.011316 1Rh 4dxy -0.042425 -0.044287 0.020817 0.026200 -0.008164 -0.040702 1Rh 5dz2 -0.007758 -0.047770 0.030401 0.000532 -0.021656 0.015359 1Rh 5dxz 0.003705 -0.036563 -0.032694 0.023288 -0.018186 0.022012 1Rh 5dyz 0.001530 -0.018940 0.016073 0.023851 -0.014748 -0.014392 1Rh 5dx2y2 -0.001620 0.060135 -0.020016 -0.001017 0.019969 -0.018538 1Rh 5dxy 0.032390 0.025555 -0.016989 -0.028475 0.057474 0.038039 1Rh 1f0 -0.009306 -0.003656 0.004776 -0.008266 0.005927 -0.000304 1Rh 1f+1 -0.000957 0.003517 0.002391 0.001243 0.001920 -0.002194 1Rh 1f-1 -0.010348 -0.004703 -0.012296 -0.002872 0.008369 -0.004232 1Rh 1f+2 -0.005294 0.001227 0.008368 -0.008976 0.002183 -0.005761 1Rh 1f-2 -0.008898 -0.002534 0.000663 0.000971 0.009553 -0.003918 1Rh 1f+3 0.005005 0.004850 -0.003924 0.003173 -0.001611 -0.003781 1Rh 1f-3 -0.001399 0.002843 -0.000540 -0.003520 -0.004362 -0.001904 2C 1s 0.000032 0.000153 -0.001439 0.000342 0.001508 -0.002180 2C 2s 0.000038 -0.000228 -0.004056 0.000513 0.003343 -0.003801 2C 3s 0.006452 0.072007 0.222602 -0.009578 -0.127843 0.047814 2C 4s -0.029525 -0.355003 -0.831638 0.007596 0.432083 0.026171 2C 5s -0.045001 -0.137774 -0.285757 0.082389 0.200882 -0.182714 2C 1pz 0.007642 0.019566 0.052050 -0.002375 -0.023948 0.023389 2C 1px -0.010728 -0.014471 0.011385 -0.014730 -0.022557 0.009394 2C 1py -0.003300 0.005599 0.029191 -0.002269 -0.026400 0.016560 2C 2pz -0.079356 -0.247070 -0.402805 -0.027160 0.182876 0.037862 2C 2px 0.106852 0.118957 -0.150202 0.141013 0.267148 -0.073577 2C 2py 0.071291 -0.080911 -0.225807 0.026836 0.176535 0.060052 2C 3pz -0.025200 -0.058952 -0.140393 -0.004815 0.070428 -0.067069 2C 3px 0.041900 0.023231 -0.009578 0.060843 0.079009 -0.033988 2C 3py 0.000529 -0.028381 -0.083149 0.025450 0.052876 -0.050245 2C 1dz2 0.014281 0.009931 -0.002816 0.016041 0.001120 0.018188 2C 1dxz -0.015096 -0.024123 -0.003837 -0.010720 -0.025389 0.013977 2C 1dyz 0.002881 -0.000411 0.002148 -0.003611 0.010284 0.018412 2C 1dx2y2 0.002075 0.005355 -0.001009 0.005224 -0.009473 0.000352 2C 1dxy -0.013274 -0.018259 -0.000571 -0.013361 -0.012044 0.003832 2C 2dz2 -0.042453 -0.092587 -0.123038 -0.020208 -0.021474 0.026690 2C 2dxz 0.061088 0.054297 0.044603 0.071649 0.011013 0.044770 2C 2dyz 0.020616 -0.050264 -0.183371 0.012540 0.152579 -0.034757 2C 2dx2y2 0.051011 0.062904 -0.016784 0.057318 0.024563 -0.017914 2C 2dxy 0.000132 0.034377 -0.010887 0.034507 0.102432 -0.043087 2C 1f0 0.001259 -0.008724 -0.041669 0.015608 -0.026717 0.018279 2C 1f+1 0.002233 -0.000147 -0.027522 0.014586 0.015279 -0.008211 2C 1f-1 -0.002273 -0.017870 -0.037135 -0.002099 0.012649 -0.000891 2C 1f+2 0.005353 0.014355 0.044520 0.016256 -0.043734 0.014648 2C 1f-2 0.004451 0.003019 -0.017290 0.013589 0.012244 0.007562 2C 1f+3 0.007622 0.011369 0.024076 0.008974 -0.002691 0.013386 2C 1f-3 -0.002920 -0.004892 -0.016433 -0.008592 0.025357 -0.012535 3C 1s -0.000528 0.000653 -0.001095 0.001006 -0.001228 -0.001176 3C 2s -0.000537 0.001690 -0.002527 0.003211 -0.002908 -0.002684 3C 3s -0.022392 -0.072554 0.103341 -0.189608 0.145209 0.069064 3C 4s 0.145041 0.238857 -0.372822 0.739666 -0.521318 -0.139271 3C 5s -0.003163 -0.015788 -0.109427 0.202423 -0.332407 -0.273031 3C 1pz -0.009362 0.000425 0.012464 -0.026376 0.012228 0.009235 3C 1px 0.019196 -0.023298 0.020712 0.000069 0.020531 0.009440 3C 1py 0.004983 0.014444 -0.019617 0.045247 -0.038206 -0.021716 3C 2pz 0.121293 -0.043762 -0.051012 0.175754 -0.044757 0.021974 3C 2px -0.163335 0.220477 -0.211209 -0.005645 -0.194668 -0.018403 3C 2py -0.080265 -0.081237 0.205402 -0.422209 0.288953 0.044088 3C 3pz 0.029044 0.009102 -0.008422 0.078301 -0.045910 -0.055280 3C 3px -0.069603 0.035073 -0.053849 -0.020016 -0.091349 -0.030729 3C 3py -0.018427 -0.014246 0.056397 -0.118575 0.108667 0.103538 3C 1dz2 -0.011896 0.006259 -0.015112 -0.002624 -0.001497 -0.002079 3C 1dxz 0.020229 -0.018552 0.000896 0.015655 0.006938 0.004862 3C 1dyz 0.015074 -0.009483 0.019634 0.003834 0.001228 -0.007637 3C 1dx2y2 0.014479 -0.014188 0.000190 0.013260 0.009210 -0.004303 3C 1dxy -0.027310 0.020494 -0.012766 -0.016284 -0.009829 -0.007882 3C 2dz2 0.045045 -0.047448 0.028672 -0.011055 0.067536 0.015391 3C 2dxz -0.007872 -0.022104 -0.028559 0.014213 -0.000730 0.010624 3C 2dyz -0.034880 -0.040389 0.127370 -0.207775 0.113257 0.042176 3C 2dx2y2 -0.097822 0.040030 -0.048961 -0.098867 0.016934 -0.007045 3C 2dxy 0.090145 -0.087955 0.069186 0.058354 0.075677 -0.002947 3C 1f0 0.002003 -0.000396 -0.007455 0.009858 0.002686 -0.006576 3C 1f+1 -0.000131 0.004568 -0.026575 0.024415 -0.008532 0.000745 3C 1f-1 -0.002494 0.017393 0.034499 -0.015839 -0.019815 -0.002087 3C 1f+2 -0.021303 -0.008617 0.009037 -0.051955 0.020644 0.018231 3C 1f-2 0.003852 -0.019756 0.035684 -0.032046 0.025734 0.006642 3C 1f+3 -0.006006 0.012297 -0.014301 0.016175 -0.023183 -0.008228 3C 1f-3 -0.013327 -0.009998 -0.004211 -0.035664 0.022815 0.008059 4C 1s 0.000199 0.000306 -0.001533 0.000414 0.001266 -0.000580 4C 2s 0.000333 0.001379 -0.000812 0.000616 0.000898 -0.000969 4C 3s -0.004620 -0.111824 -0.353613 0.029611 0.246168 -0.118801 4C 4s 0.024064 0.504808 1.747851 -0.158396 -1.215831 0.692005 4C 5s 0.026403 0.119824 0.444604 -0.061571 -0.345352 0.252559 4C 1pz -0.003954 0.002403 -0.012016 0.003687 0.005001 -0.020256 4C 1px 0.005292 0.002931 -0.009878 0.004154 0.005717 -0.003966 4C 1py 0.002356 0.004424 -0.004666 -0.001481 0.013515 -0.017882 4C 2pz -0.038484 -0.198138 -0.156914 -0.182527 -0.132696 0.255453 4C 2px 0.109409 0.207262 0.271559 0.424313 0.427368 -0.084715 4C 2py 0.010639 -0.041313 -0.006080 0.076209 0.036819 0.141610 4C 3pz 0.006199 -0.073067 -0.135103 0.067790 0.109362 -0.062629 4C 3px -0.066219 -0.017459 -0.069064 -0.134434 -0.074359 0.080975 4C 3py -0.025515 -0.057808 -0.120543 -0.006601 0.033700 -0.005085 4C 1dz2 0.000682 -0.003712 -0.014490 -0.004971 -0.004504 -0.002440 4C 1dxz -0.003221 -0.012313 -0.004120 0.013276 0.013621 0.004499 4C 1dyz -0.000155 0.000267 0.016859 -0.003166 -0.006132 0.010129 4C 1dx2y2 0.005238 0.010556 0.028536 -0.000199 -0.023870 0.026214 4C 1dxy -0.007661 -0.000544 0.027056 0.005272 -0.008931 -0.006835 4C 2dz2 -0.068907 -0.076569 -0.087103 -0.104975 -0.182158 -0.035363 4C 2dxz 0.119171 0.218420 0.037670 0.285743 0.333944 -0.183516 4C 2dyz -0.010599 0.078013 0.178524 -0.033573 -0.094486 -0.049367 4C 2dx2y2 -0.017083 0.012317 0.166798 0.003142 -0.156519 0.155868 4C 2dxy 0.120489 0.192495 0.226465 0.183615 0.101531 0.016940 4C 1f0 -0.004827 -0.016812 -0.018875 -0.015368 0.059037 -0.022897 4C 1f+1 0.006444 -0.013307 -0.084776 0.000907 0.073834 -0.041783 4C 1f-1 -0.001359 -0.018228 -0.022781 -0.015517 -0.000481 0.027832 4C 1f+2 -0.004775 0.012299 0.066850 -0.047511 -0.047752 0.014349 4C 1f-2 0.012201 0.014737 0.014106 0.015384 0.027916 0.009017 4C 1f+3 -0.009545 -0.000672 -0.006484 -0.022311 -0.031325 0.036381 4C 1f-3 -0.016045 -0.027165 -0.094507 -0.013019 0.018999 -0.016035 5C 1s -0.000490 0.000915 -0.000864 0.000895 -0.001081 -0.000847 5C 2s -0.001039 0.001151 -0.000340 -0.000050 -0.000493 -0.000846 5C 3s 0.007930 0.106256 -0.201296 0.279945 -0.258194 -0.150678 5C 4s -0.015332 -0.553161 0.982927 -1.371355 1.263902 0.835629 5C 5s 0.011381 -0.028780 0.228807 -0.322292 0.419611 0.150943 5C 1pz 0.001011 -0.003001 -0.008916 0.004283 -0.000384 -0.004189 5C 1px -0.009218 0.006726 -0.002618 -0.000554 -0.005065 -0.011736 5C 1py 0.003093 -0.006287 0.002368 -0.007685 0.013906 0.016269 5C 2pz 0.131822 -0.032955 0.118829 0.236821 0.074683 0.037012 5C 2px -0.220585 0.110052 -0.293991 -0.500803 -0.300991 0.238483 5C 2py -0.137659 0.039573 -0.018839 -0.226639 -0.052474 -0.133973 5C 3pz -0.028852 0.012971 -0.040740 0.043969 -0.137890 -0.126350 5C 3px 0.113652 -0.001056 0.033045 0.165027 0.063491 -0.151819 5C 3py 0.009723 -0.024284 0.054388 -0.104127 0.154937 0.220203 5C 1dz2 -0.003505 0.009477 -0.017208 0.022112 -0.012508 -0.006451 5C 1dxz -0.000001 -0.000405 -0.011648 0.004733 -0.013961 -0.017467 5C 1dyz 0.003429 0.005192 -0.007987 0.009927 -0.018384 -0.018086 5C 1dx2y2 0.005120 -0.015964 0.009817 -0.020292 0.013798 0.014946 5C 1dxy -0.007283 0.011537 0.007813 0.012951 0.012366 -0.016732 5C 2dz2 0.077861 -0.021571 -0.068193 0.236704 -0.029565 -0.094677 5C 2dxz -0.150684 0.118322 -0.167316 -0.124381 -0.138957 -0.044757 5C 2dyz -0.102305 0.135523 -0.177050 0.013232 -0.230925 0.005100 5C 2dx2y2 -0.102123 0.025660 -0.065293 -0.250909 0.025089 0.178696 5C 2dxy 0.283794 -0.160680 0.163216 0.363298 0.141501 -0.009677 5C 1f0 -0.020493 0.009119 -0.023436 -0.002098 -0.038986 -0.016204 5C 1f+1 0.018624 0.016350 -0.008498 0.072183 -0.039130 -0.031682 5C 1f-1 -0.014006 -0.010547 -0.045636 -0.008327 0.016219 0.014885 5C 1f+2 0.002013 0.008075 0.011218 0.002109 0.009376 -0.012417 5C 1f-2 0.037110 -0.034834 0.046126 -0.009877 0.077497 0.002886 5C 1f+3 0.013550 0.026173 -0.036093 0.073704 -0.030812 -0.040819 5C 1f-3 -0.008829 -0.010583 0.053566 -0.069626 0.047477 0.022873 6C 1s -0.000516 -0.000956 0.000878 -0.000880 0.001074 -0.000859 6C 2s -0.001091 -0.001215 0.000366 0.000075 0.000480 -0.000846 6C 3s 0.007731 -0.107464 0.202064 -0.279432 0.257855 -0.154901 6C 4s -0.012847 0.561017 -0.988086 1.368107 -1.261313 0.856463 6C 5s 0.011196 0.030984 -0.231564 0.321813 -0.419655 0.154418 6C 1pz -0.000890 -0.002808 -0.009008 0.004229 -0.000264 0.004126 6C 1px 0.009405 0.006868 -0.002808 -0.000621 -0.005057 0.012057 6C 1py -0.003233 -0.006508 0.002559 -0.007539 0.013820 -0.016447 6C 2pz -0.132816 -0.036946 0.119899 0.238245 0.074017 -0.032337 6C 2px 0.216775 0.107082 -0.290802 -0.497983 -0.302615 -0.256374 6C 2py 0.139658 0.046157 -0.021355 -0.229162 -0.051397 0.133046 6C 3pz 0.028943 0.010946 -0.040674 0.043225 -0.138154 0.126654 6C 3px -0.113321 -0.001553 0.032359 0.163828 0.064347 0.150208 6C 3py -0.009698 -0.021551 0.054228 -0.102929 0.155465 -0.219095 6C 1dz2 -0.003673 -0.009894 0.017248 -0.022000 0.012345 -0.006904 6C 1dxz -0.000098 0.000279 0.011768 -0.004531 0.013825 -0.017328 6C 1dyz 0.003409 -0.005401 0.008083 -0.009811 0.018350 -0.018100 6C 1dx2y2 0.005100 0.016295 -0.009960 0.020289 -0.013848 0.015620 6C 1dxy -0.007593 -0.011435 -0.007615 -0.012935 -0.012380 -0.017487 6C 2dz2 0.076807 0.020365 0.069176 -0.235911 0.028881 -0.098559 6C 2dxz -0.151296 -0.120597 0.167822 0.124642 0.138773 -0.042792 6C 2dyz -0.101533 -0.134920 0.176414 -0.013760 0.231533 0.006310 6C 2dx2y2 -0.099955 -0.022146 0.062785 0.248766 -0.024013 0.185540 6C 2dxy 0.284292 0.162012 -0.163422 -0.363617 -0.141593 -0.015861 6C 1f0 0.020652 0.009264 -0.023637 -0.002121 -0.038869 0.015786 6C 1f+1 -0.018361 0.016673 -0.008812 0.071979 -0.039051 0.033429 6C 1f-1 0.014191 -0.010378 -0.045543 -0.008292 0.016374 -0.015587 6C 1f+2 -0.002016 0.008203 0.010966 0.002143 0.009477 0.012774 6C 1f-2 -0.036908 -0.035022 0.046059 -0.010022 0.077683 -0.002540 6C 1f+3 -0.013103 0.026532 -0.036326 0.073405 -0.030583 0.042255 6C 1f-3 0.008618 -0.010927 0.053739 -0.069542 0.047324 -0.023418 7C 1s 0.000208 -0.000292 0.001529 -0.000423 -0.001277 -0.000550 7C 2s 0.000357 -0.001360 0.000796 -0.000630 -0.000912 -0.000918 7C 3s -0.005230 0.111668 0.354981 -0.028892 -0.248269 -0.117600 7C 4s 0.026343 -0.504808 -1.754885 0.154705 1.226697 0.685159 7C 5s 0.027285 -0.122246 -0.444834 0.060105 0.349426 0.247407 7C 1pz 0.003875 0.002302 -0.011944 0.003531 0.005094 0.020061 7C 1px -0.005358 0.002872 -0.009914 0.004112 0.005876 0.003595 7C 1py -0.002346 0.004388 -0.004645 -0.001640 0.013617 0.017742 7C 2pz 0.038712 -0.194485 -0.157680 -0.181831 -0.133775 -0.258416 7C 2px -0.105687 0.209951 0.271656 0.424510 0.427281 0.099072 7C 2py -0.009229 -0.039080 -0.007998 0.076691 0.036628 -0.138585 7C 3pz -0.005295 -0.071348 -0.137922 0.067451 0.112064 0.061701 7C 3px 0.066153 -0.016318 -0.068046 -0.134100 -0.075290 -0.080729 7C 3py 0.026125 -0.056586 -0.121933 -0.006619 0.035217 0.004656 7C 1dz2 0.000815 0.003967 0.014952 0.004932 0.004193 -0.002311 7C 1dxz -0.003299 0.012588 0.004181 -0.013341 -0.013615 0.003719 7C 1dyz -0.000338 -0.000331 -0.017263 0.003201 0.006495 0.010144 7C 1dx2y2 0.005411 -0.010629 -0.028329 -0.000006 0.024053 0.026125 7C 1dxy -0.007637 0.000269 -0.027085 -0.005278 0.008997 -0.007617 7C 2dz2 -0.067345 0.078303 0.087743 0.104694 0.181173 -0.032859 7C 2dxz 0.118137 -0.218826 -0.036965 -0.285330 -0.336018 -0.186224 7C 2dyz -0.009983 -0.077233 -0.179675 0.033845 0.095773 -0.049165 7C 2dx2y2 -0.017819 -0.012835 -0.166146 -0.003426 0.157827 0.153861 7C 2dxy 0.119819 -0.193052 -0.226517 -0.184454 -0.101476 0.013374 7C 1f0 0.005081 -0.016731 -0.018455 -0.015491 0.059013 0.022595 7C 1f+1 -0.006370 -0.013286 -0.084887 0.000581 0.073955 0.041078 7C 1f-1 0.001311 -0.018196 -0.022776 -0.015512 -0.000288 -0.028043 7C 1f+2 0.004682 0.012475 0.067265 -0.047586 -0.048310 -0.014760 7C 1f-2 -0.011893 0.015038 0.014196 0.015502 0.028157 -0.008449 7C 1f+3 0.009332 -0.000626 -0.006350 -0.022081 -0.031368 -0.037005 7C 1f-3 0.015975 -0.027403 -0.094756 -0.013079 0.019397 0.014675 8C 1s -0.000551 -0.000668 0.001111 -0.000997 0.001224 -0.001176 8C 2s -0.000574 -0.001709 0.002552 -0.003201 0.002899 -0.002705 8C 3s -0.022325 0.071853 -0.103500 0.190003 -0.145003 0.071080 8C 4s 0.147308 -0.232991 0.371223 -0.742706 0.521387 -0.146501 8C 5s -0.002736 0.018110 0.111289 -0.200490 0.333170 -0.271001 8C 1pz 0.009367 0.000479 0.012544 -0.026449 0.012203 -0.009406 8C 1px -0.019314 -0.023331 0.020832 -0.000040 0.020588 -0.009563 8C 1py -0.004885 0.014300 -0.019773 0.045214 -0.038101 0.022102 8C 2pz -0.123526 -0.045194 -0.050166 0.177668 -0.046190 -0.021058 8C 2px 0.163519 0.220295 -0.211750 -0.002834 -0.196509 0.018857 8C 2py 0.081017 -0.077198 0.203760 -0.422174 0.288533 -0.046105 8C 3pz -0.029140 0.008617 -0.008773 0.078177 -0.045919 0.055222 8C 3px 0.069714 0.035010 -0.053961 -0.020096 -0.091815 0.031320 8C 3py 0.018401 -0.013702 0.057022 -0.118144 0.108336 -0.103860 8C 1dz2 -0.011967 -0.006199 0.015121 0.002611 0.001386 -0.002008 8C 1dxz 0.020159 0.018586 -0.000901 -0.015571 -0.007005 0.004971 8C 1dyz 0.015207 0.009479 -0.019447 -0.003901 -0.001251 -0.007724 8C 1dx2y2 0.014283 0.014134 -0.000093 -0.013068 -0.009441 -0.004198 8C 1dxy -0.027531 -0.020648 0.012952 0.016249 0.009783 -0.007960 8C 2dz2 0.046072 0.048072 -0.029369 0.010437 -0.067963 0.015716 8C 2dxz -0.008103 0.022897 0.028625 -0.013876 0.000449 0.011319 8C 2dyz -0.033931 0.040069 -0.127474 0.207445 -0.112978 0.043334 8C 2dx2y2 -0.099435 -0.041198 0.049076 0.100525 -0.017727 -0.006059 8C 2dxy 0.089029 0.086728 -0.068019 -0.057879 -0.075763 -0.003692 8C 1f0 -0.001743 -0.000300 -0.007582 0.009840 0.002838 0.006635 8C 1f+1 0.000373 0.004366 -0.026355 0.024009 -0.008133 -0.000946 8C 1f-1 0.002027 0.017234 0.034555 -0.015701 -0.020067 0.002431 8C 1f+2 0.021264 -0.008448 0.009211 -0.052059 0.020478 -0.018925 8C 1f-2 -0.003766 -0.019609 0.035558 -0.032387 0.025723 -0.006989 8C 1f+3 0.006187 0.012002 -0.014284 0.015963 -0.023024 0.008181 8C 1f-3 0.013381 -0.010055 -0.004153 -0.035972 0.023081 -0.008663 9C 1s 0.000035 -0.000162 0.001438 -0.000332 -0.001522 -0.002164 9C 2s 0.000042 0.000201 0.004069 -0.000493 -0.003374 -0.003762 9C 3s 0.006733 -0.070961 -0.223569 0.008877 0.129052 0.046588 9C 4s -0.031600 0.350260 0.835932 -0.005882 -0.435544 0.029181 9C 5s -0.046571 0.137774 0.287059 -0.081248 -0.205999 -0.181324 9C 1pz -0.007682 0.019290 0.051996 -0.002117 -0.024205 -0.023035 9C 1px 0.010647 -0.014649 0.011347 -0.014659 -0.022724 -0.009217 9C 1py 0.003291 0.005551 0.029668 -0.002145 -0.026838 -0.016531 9C 2pz 0.081062 -0.242800 -0.400646 -0.027322 0.182150 -0.039684 9C 2px -0.104422 0.120960 -0.149888 0.140103 0.268705 0.072755 9C 2py -0.070918 -0.081827 -0.234182 0.027654 0.180260 -0.058045 9C 3pz 0.025633 -0.058641 -0.140540 -0.005629 0.071300 0.066058 9C 3px -0.041672 0.023448 -0.009940 0.060855 0.079772 0.033325 9C 3py -0.000374 -0.028232 -0.084469 0.025146 0.054637 0.049795 9C 1dz2 0.014288 -0.009865 0.003351 -0.016305 -0.001217 0.017862 9C 1dxz -0.014999 0.024493 0.004077 0.010590 0.025506 0.013556 9C 1dyz 0.002798 0.000234 -0.002264 0.003285 -0.009919 0.018654 9C 1dx2y2 0.002264 -0.005253 0.001352 -0.005341 0.009455 0.000265 9C 1dxy -0.013167 0.018114 0.000403 0.013288 0.012230 0.003853 9C 2dz2 -0.042711 0.091916 0.124056 0.019940 0.020607 0.025633 9C 2dxz 0.060886 -0.053014 -0.043350 -0.071615 -0.010176 0.044081 9C 2dyz 0.020122 0.049402 0.184219 -0.012322 -0.152287 -0.033067 9C 2dx2y2 0.051683 -0.062361 0.017648 -0.057610 -0.023890 -0.017262 9C 2dxy 0.001143 -0.038144 0.008791 -0.035650 -0.103919 -0.041799 9C 1f0 -0.001437 -0.009045 -0.042632 0.015862 -0.026445 -0.017847 9C 1f+1 -0.002463 0.000175 -0.027772 0.014560 0.015378 0.008061 9C 1f-1 0.002268 -0.017543 -0.037326 -0.001969 0.012663 0.000688 9C 1f+2 -0.005714 0.014230 0.044826 0.016555 -0.043627 -0.013706 9C 1f-2 -0.004667 0.003024 -0.017294 0.013683 0.012239 -0.007689 9C 1f+3 -0.007639 0.011048 0.023715 0.009359 -0.002987 -0.013237 9C 1f-3 0.002932 -0.004291 -0.015346 -0.008615 0.024970 0.011811 10H 1s -0.004729 -0.005166 0.038719 -0.003172 -0.027927 0.010065 10H 2s -0.053839 -0.044836 0.157733 -0.057765 -0.153819 0.092759 10H 3s -0.000370 0.001688 -0.037876 -0.015164 0.005658 -0.015917 10H 1pz -0.024585 -0.023821 0.027751 -0.021505 -0.039894 0.014076 10H 1px 0.006319 0.005074 -0.046773 0.007613 0.032842 -0.020866 10H 1py -0.005914 -0.011470 0.012843 -0.009502 -0.024881 0.012460 11H 1s -0.005167 -0.001950 -0.008058 -0.001834 0.024938 -0.025834 11H 2s -0.022177 0.032651 -0.008854 -0.004623 0.094099 -0.050094 11H 3s 0.016807 0.004963 -0.003315 -0.003139 0.001756 0.005448 11H 1pz -0.004558 0.016328 0.020472 -0.000473 0.014709 -0.007361 11H 1px 0.000805 0.008804 -0.006317 0.002659 0.027307 -0.016418 11H 1py 0.006995 0.005492 0.003475 0.006460 -0.010344 0.008243 12H 1s 0.012300 0.006885 -0.000669 0.013874 -0.004812 0.005651 12H 2s 0.102424 0.081683 0.021959 0.052409 0.015922 0.046439 12H 3s -0.006911 -0.004740 -0.004053 -0.003200 0.001511 -0.007431 12H 1pz 0.007421 0.010766 0.006118 0.004433 0.006091 -0.007582 12H 1px 0.015234 0.013405 -0.007679 0.011972 0.014884 -0.003202 12H 1py 0.034676 0.032103 0.022692 0.019948 -0.002700 0.019149 13H 1s 0.003990 -0.025607 0.024592 -0.026541 0.021391 0.008979 13H 2s 0.073664 -0.134732 0.106953 -0.058779 0.123930 0.065633 13H 3s 0.010312 0.032380 -0.007746 0.033096 0.008343 -0.015784 13H 1pz 0.025599 -0.040418 0.033103 -0.017149 0.034852 0.017817 13H 1px -0.002566 0.020995 -0.014358 0.021428 -0.020015 -0.010572 13H 1py -0.026927 0.032564 -0.020833 -0.009991 -0.019474 -0.006966 14H 1s -0.004697 0.003979 0.007645 -0.017128 -0.003517 0.005621 14H 2s -0.052308 0.047891 0.004151 -0.119077 0.030806 0.032295 14H 3s -0.005097 0.009837 -0.007733 0.017907 -0.008028 -0.009058 14H 1pz -0.013875 0.004527 0.010285 -0.040643 0.016422 0.009913 14H 1px -0.023467 0.018943 -0.004216 -0.036082 0.001611 0.007825 14H 1py 0.014213 -0.011222 0.005893 0.011797 0.002026 0.006644 15H 1s -0.008552 0.003419 -0.024207 0.016096 -0.012650 -0.005664 15H 2s -0.060955 0.037024 -0.092070 0.038525 -0.034038 -0.011996 15H 3s 0.006063 0.002245 -0.001860 -0.001065 0.009245 -0.006282 15H 1pz 0.006032 -0.004264 0.022484 -0.016542 0.008514 0.001570 15H 1px -0.007603 0.008313 -0.009797 -0.000407 -0.006675 -0.001642 15H 1py 0.022918 -0.004342 0.019847 0.006844 -0.001144 -0.001915 16H 1s -0.002244 0.009368 0.000209 0.003813 0.000920 0.006382 16H 2s -0.001901 0.072937 -0.050208 -0.030162 0.038986 -0.248682 16H 3s 0.001306 0.012566 -0.013296 -0.003540 0.004044 0.005086 16H 1pz -0.003366 0.048232 -0.021057 -0.010186 0.016820 -0.105310 16H 1px -0.000213 0.032951 0.004086 -0.005288 0.000464 -0.064757 16H 1py 0.000968 -0.021101 -0.001098 0.003223 -0.002353 0.052087 17H 1s -0.000517 0.004207 0.000983 -0.003362 -0.001054 0.010321 17H 2s 0.000374 0.075219 0.002131 -0.025308 0.051012 -0.241792 17H 3s 0.007100 0.009482 0.004206 -0.005145 0.009310 0.007467 17H 1pz 0.002818 -0.062591 0.004866 0.010526 -0.016906 0.133693 17H 1px -0.000453 -0.001546 -0.006087 0.010060 -0.012607 0.011125 17H 1py 0.001877 -0.013805 0.004103 0.000834 0.002039 0.033229 18H 1s -0.000484 -0.004195 -0.001340 0.003213 0.001119 0.010617 18H 2s 0.000469 -0.076054 0.000823 0.026650 -0.051850 -0.242075 18H 3s 0.006940 -0.009629 -0.004375 0.005179 -0.009092 0.007295 18H 1pz -0.002885 -0.062613 0.005855 0.011279 -0.017910 -0.132928 18H 1px 0.000626 -0.001260 -0.006054 0.010080 -0.012315 -0.010293 18H 1py -0.002004 -0.015167 0.004244 0.001456 0.001074 -0.036358 19H 1s -0.002354 -0.009469 -0.000274 -0.003850 -0.001024 0.006207 19H 2s -0.001565 -0.072403 0.052870 0.031446 -0.040429 -0.246943 19H 3s 0.001475 -0.012317 0.013148 0.003745 -0.004138 0.005363 19H 1pz 0.003332 0.048732 -0.021920 -0.010860 0.017605 0.106163 19H 1px 0.000321 0.033266 0.003692 -0.005476 0.000797 0.065019 19H 1py -0.000913 -0.019908 -0.001479 0.003310 -0.002264 -0.049407 20H 1s -0.009002 -0.003392 0.024253 -0.015702 0.012356 -0.005520 20H 2s -0.063436 -0.037556 0.092148 -0.036570 0.033102 -0.011176 20H 3s 0.006188 -0.002571 0.001805 0.000849 -0.009253 -0.007026 20H 1pz -0.006407 -0.004156 0.022374 -0.016223 0.008241 -0.001418 20H 1px 0.008029 0.008578 -0.010163 -0.000329 -0.006834 0.001677 20H 1py -0.023672 -0.004565 0.019820 0.007583 -0.001397 0.002410 21H 1s -0.004449 -0.004141 -0.007507 0.016648 0.004019 0.005591 21H 2s -0.051490 -0.048785 -0.004210 0.116998 -0.029032 0.032713 21H 3s -0.005312 -0.009892 0.007563 -0.017682 0.007726 -0.009725 21H 1pz 0.013649 0.004693 0.010403 -0.040480 0.016110 -0.010259 21H 1px 0.023236 0.019235 -0.004292 -0.035339 0.001003 -0.007906 21H 1py -0.014210 -0.011096 0.005811 0.011834 0.001817 -0.006567 22H 1s 0.004224 0.025813 -0.024655 0.026789 -0.021424 0.009466 22H 2s 0.074824 0.135338 -0.108006 0.059421 -0.123956 0.067397 22H 3s 0.010054 -0.032402 0.007935 -0.033411 -0.008738 -0.016306 22H 1pz -0.025920 -0.040258 0.033130 -0.017015 0.034530 -0.018176 22H 1px 0.002693 0.021184 -0.014645 0.021896 -0.020175 0.011164 22H 1py 0.027131 0.032858 -0.021093 -0.009671 -0.019759 0.007227 23H 1s 0.012252 -0.006290 0.001868 -0.014053 0.004345 0.004912 23H 2s 0.102314 -0.079078 -0.016872 -0.053189 -0.016406 0.044462 23H 3s -0.006930 0.004066 0.003654 0.003352 -0.001355 -0.006733 23H 1pz -0.007248 0.010637 0.006520 0.004119 0.005778 0.007334 23H 1px -0.014686 0.012837 -0.008396 0.011760 0.015023 0.003609 23H 1py -0.034843 0.031288 0.021034 0.020400 -0.002539 -0.018429 24H 1s -0.005394 0.001343 0.006944 0.002066 -0.024716 -0.025442 24H 2s -0.022997 -0.036233 0.003998 0.004403 -0.093156 -0.047497 24H 3s 0.017138 -0.004509 0.004327 0.002943 -0.001607 0.005185 24H 1pz 0.004665 0.017272 0.021798 -0.000249 0.014407 0.006713 24H 1px -0.000487 0.009576 -0.005425 0.002637 0.027509 0.016175 24H 1py -0.007100 0.005235 0.002600 0.006578 -0.009483 -0.007668 25H 1s -0.004568 0.005353 -0.039004 0.003065 0.028016 0.009746 25H 2s -0.052925 0.045427 -0.158270 0.056583 0.155551 0.091139 25H 3s -0.000387 -0.001925 0.037975 0.015711 -0.005467 -0.015449 25H 1pz 0.024455 -0.023990 0.028436 -0.021386 -0.040550 -0.013851 25H 1px -0.006036 0.005228 -0.046808 0.007213 0.033145 0.020419 25H 1py 0.005735 -0.011864 0.011814 -0.009334 -0.024587 -0.011771 26O 1s -0.000823 -0.001432 0.000107 -0.000154 -0.000486 -0.000399 26O 2s -0.003180 -0.005682 -0.002413 -0.002030 -0.001752 -0.001844 26O 3s 0.043100 0.082037 0.099734 0.049909 0.009576 0.032787 26O 4s -0.163858 -0.288312 -0.475804 -0.254459 -0.044179 -0.115160 26O 5s 0.021687 -0.177543 -0.410179 -0.056671 0.074069 -0.181848 26O 1pz 0.011843 0.015939 -0.014635 -0.006797 0.009245 -0.003120 26O 1px -0.004396 -0.014306 -0.020396 -0.024193 -0.017403 -0.001098 26O 1py 0.001525 0.009317 -0.017375 -0.011092 -0.001398 -0.003627 26O 2pz -0.037926 -0.056353 0.067792 0.008811 -0.046073 0.026885 26O 2px 0.067541 0.155147 0.324951 0.173891 0.038462 0.054959 26O 2py 0.007205 0.011369 0.160890 0.071909 -0.018066 0.032989 26O 3pz 0.020775 0.010151 0.014592 -0.045762 -0.090646 0.089152 26O 3px 0.031409 0.105433 0.223117 0.060247 -0.062829 0.209919 26O 3py -0.008044 0.066451 0.109932 -0.023610 -0.054303 0.094949 26O 1dz2 -0.006123 0.002258 -0.019168 0.017553 0.016262 -0.005947 26O 1dxz -0.007325 -0.001012 0.001491 0.008418 -0.007435 0.009677 26O 1dyz 0.011329 0.010866 -0.006499 0.018049 0.031706 -0.018510 26O 1dx2y2 -0.004268 0.007992 0.011258 0.005630 -0.016788 0.014073 26O 1dxy 0.006358 0.010110 0.017325 0.004929 0.004962 -0.004933 26O 2dz2 0.009793 0.024381 0.065604 0.026526 -0.004256 0.015263 26O 2dxz 0.009282 0.014744 -0.009470 0.008875 0.015740 -0.007233 26O 2dyz 0.003908 0.005918 0.000389 0.008394 0.009888 -0.004867 26O 2dx2y2 -0.018302 -0.039466 -0.078306 -0.033766 0.000376 -0.019128 26O 2dxy -0.002384 -0.020961 -0.074871 -0.022338 0.014203 -0.014720 26O 1f0 -0.116420 -0.029238 -0.077406 0.070625 -0.132127 0.026419 26O 1f+1 -0.028727 -0.098079 0.082917 -0.092335 -0.203508 0.076789 26O 1f-1 0.164058 0.183157 -0.239193 0.197974 0.415765 -0.220347 26O 1f+2 -0.001382 0.070530 -0.010171 0.088432 -0.002164 -0.013436 26O 1f-2 -0.098409 -0.026141 -0.002994 0.006049 -0.095673 0.047333 26O 1f+3 0.048699 0.086389 -0.040060 0.083393 0.103411 -0.020876 26O 1f-3 -0.046344 0.001936 0.075116 -0.022775 -0.035834 0.042898 27O 1s 0.001660 -0.001580 0.000161 0.000510 -0.000161 -0.000383 27O 2s 0.006385 -0.004847 0.000583 0.004923 -0.000721 -0.002748 27O 3s -0.085158 0.037451 0.002032 -0.132030 0.024172 0.063863 27O 4s 0.319639 -0.091963 0.008873 0.612222 -0.075970 -0.262354 27O 5s -0.080191 0.126853 -0.078137 0.398603 -0.149941 -0.311296 27O 1pz -0.014150 0.014642 -0.003262 -0.000832 0.000455 -0.004733 27O 1px 0.005580 0.000600 0.010054 0.036991 0.013839 -0.015998 27O 1py 0.017584 -0.022508 0.005750 -0.012540 -0.001223 0.012294 27O 2pz 0.059514 -0.055503 0.025216 0.031823 0.000192 0.009304 27O 2px -0.119384 -0.025147 -0.003186 -0.425650 0.024024 0.197284 27O 2py -0.050913 0.088301 -0.031942 0.085006 -0.022276 -0.078604 27O 3pz -0.012071 0.021554 0.006991 0.033951 0.067388 -0.045371 27O 3px -0.035621 0.027176 0.045186 -0.239512 0.117640 0.168428 27O 3py 0.014809 -0.036585 -0.054202 0.011505 -0.084080 -0.012800 27O 1dz2 0.014324 -0.004537 -0.003199 0.015840 0.004919 -0.000720 27O 1dxz 0.003154 0.000793 -0.011923 -0.000969 0.002682 -0.005525 27O 1dyz 0.016624 -0.019904 0.028362 0.009539 0.017847 0.011834 27O 1dx2y2 0.003449 -0.008939 0.010467 -0.014510 0.028329 0.003425 27O 1dxy 0.005872 -0.008511 0.001651 0.012453 0.009523 -0.002583 27O 2dz2 -0.013114 -0.010452 0.009944 -0.063809 0.017035 0.034412 27O 2dxz -0.017506 0.015582 -0.008102 -0.029960 -0.002504 0.001881 27O 2dyz -0.001385 -0.001418 0.002217 0.010102 0.001510 0.000180 27O 2dx2y2 0.027869 0.009423 -0.008658 0.115254 -0.019539 -0.051563 27O 2dxy 0.012798 -0.026528 0.017678 -0.023575 0.018599 0.033812 27O 1f0 0.342317 -0.318711 0.224082 0.039119 0.310983 0.083225 27O 1f+1 -0.022101 -0.024801 0.026010 -0.028892 0.022157 0.036906 27O 1f-1 -0.003890 0.004759 0.216523 -0.007287 -0.038914 -0.041575 27O 1f+2 0.209848 -0.189926 0.180435 -0.039665 0.214699 0.065106 27O 1f-2 -0.119878 0.123094 -0.060900 -0.072284 -0.084988 -0.053310 27O 1f+3 0.003669 0.005783 -0.018104 -0.015633 0.016127 -0.004132 27O 1f-3 -0.035237 0.001641 -0.069535 -0.031935 0.026185 0.023119 28O 1s 0.001004 0.001653 -0.000013 0.000169 0.001172 -0.000306 28O 2s 0.003828 0.005794 -0.000603 0.002517 0.006588 -0.002159 28O 3s -0.049159 -0.062316 0.037656 -0.067204 -0.136213 0.053228 28O 4s 0.182266 0.207620 -0.155621 0.334181 0.578696 -0.232353 28O 5s -0.033062 0.044688 -0.193036 0.172361 0.360519 -0.387812 28O 1pz -0.005204 -0.011814 -0.000730 0.024124 0.022100 -0.013855 28O 1px -0.013200 -0.021094 -0.011658 -0.022994 -0.025741 0.007915 28O 1py -0.003951 -0.012146 -0.001995 0.006429 0.004698 -0.004832 28O 2pz -0.012021 0.019548 0.086245 -0.165238 -0.232642 0.143722 28O 2px 0.083218 0.099986 -0.053912 0.198273 0.303053 -0.132718 28O 2py 0.018058 0.043397 0.022764 -0.019148 -0.034987 0.041583 28O 3pz -0.033339 -0.065394 0.119997 -0.001940 -0.153048 0.044106 28O 3px -0.007769 0.040571 -0.091416 0.097599 0.183837 -0.170900 28O 3py 0.011111 0.000902 0.061210 0.021250 0.007574 -0.012398 28O 1dz2 0.004623 -0.009882 -0.021031 0.000525 -0.015280 -0.011205 28O 1dxz 0.001709 -0.005640 -0.023515 0.001905 0.011135 -0.009774 28O 1dyz -0.017595 -0.022403 -0.020526 -0.025259 -0.002044 -0.011531 28O 1dx2y2 0.003114 -0.000432 0.008927 0.002472 -0.011502 0.005327 28O 1dxy -0.003808 -0.010076 -0.015820 -0.001052 -0.005876 -0.010335 28O 2dz2 -0.006963 -0.015065 -0.008152 -0.005746 -0.003294 -0.011035 28O 2dxz -0.009450 -0.003081 0.044204 -0.054369 -0.097900 0.050527 28O 2dyz -0.005148 -0.008391 -0.008210 -0.005673 0.000831 -0.011590 28O 2dx2y2 0.012990 0.013703 -0.025252 0.042332 0.068861 -0.027993 28O 2dxy 0.007683 0.009489 0.008773 -0.000941 -0.007834 0.012023 28O 1f0 0.045128 0.069092 0.049861 0.073964 -0.062748 0.108528 28O 1f+1 0.074774 0.056208 -0.028005 0.089387 -0.037568 0.043479 28O 1f-1 -0.068532 -0.172645 -0.288472 -0.034433 -0.006335 -0.073258 28O 1f+2 0.117324 0.056979 -0.033544 0.120255 -0.084009 0.076695 28O 1f-2 -0.111957 -0.223136 -0.280291 -0.094004 -0.018668 -0.087958 28O 1f+3 -0.102776 -0.000180 0.037987 -0.059835 0.114844 -0.043020 28O 1f-3 0.146214 0.236866 0.240879 0.101254 0.086880 0.059429 29O 1s 0.000100 0.000475 -0.000187 -0.000337 0.000537 -0.002346 29O 2s 0.000351 0.000648 -0.000422 -0.000865 0.001363 -0.006398 29O 3s -0.004056 0.012882 -0.000309 0.003156 -0.004445 0.034058 29O 4s 0.009435 -0.071892 0.008242 0.001699 -0.004746 -0.086556 29O 5s -0.003765 0.011975 0.023427 0.034777 -0.059736 0.568316 29O 1pz 0.000833 -0.010854 0.004225 -0.001188 -0.003660 0.012783 29O 1px -0.001273 0.022544 -0.001921 -0.005502 0.006923 -0.024773 29O 1py 0.002874 -0.004443 0.001370 0.002656 -0.003640 0.017411 29O 2pz -0.003497 0.034811 -0.024854 0.002232 0.010336 -0.055668 29O 2px 0.003160 -0.065513 0.004070 0.018903 -0.025852 0.105075 29O 2py -0.007784 0.034337 -0.008478 -0.013518 0.020630 -0.094611 29O 3pz 0.001015 0.021084 -0.028400 -0.009562 0.001630 -0.003548 29O 3px -0.003053 -0.059955 -0.000053 0.004462 -0.010705 -0.051143 29O 3py -0.000023 0.062374 -0.012166 -0.020337 0.036005 -0.198928 29O 1dz2 -0.001712 0.020627 -0.005820 0.000682 0.000146 -0.055491 29O 1dxz 0.000033 0.007574 0.007719 -0.002707 -0.005171 -0.035723 29O 1dyz 0.001290 -0.016370 0.005904 -0.001476 0.000773 0.032147 29O 1dx2y2 -0.001312 0.023766 -0.000449 -0.007539 0.008577 -0.021432 29O 1dxy -0.000191 0.026499 -0.000087 -0.000048 -0.003304 -0.048344 29O 2dz2 0.000309 0.002246 0.005603 0.001082 -0.003865 -0.011786 29O 2dxz -0.000293 -0.001408 -0.000062 0.002911 -0.006765 -0.005847 29O 2dyz 0.001042 -0.011554 0.011496 -0.000973 -0.000859 0.020769 29O 2dx2y2 -0.001563 0.015717 -0.003718 -0.004972 0.007606 -0.016596 29O 2dxy 0.000973 0.020120 0.000265 -0.005366 0.007270 -0.037345 29O 1f0 0.006828 -0.053850 0.012832 0.018332 -0.020399 0.094543 29O 1f+1 -0.006139 0.058266 -0.007664 -0.006254 0.023353 -0.099597 29O 1f-1 -0.004359 0.013611 -0.005472 -0.016028 0.022689 0.012259 29O 1f+2 -0.000413 -0.050082 0.000637 -0.013156 0.017829 0.147884 29O 1f-2 0.005537 -0.099237 0.008845 0.016378 -0.015336 0.211450 29O 1f+3 0.013132 -0.217021 0.017512 0.023962 -0.011167 0.464604 29O 1f-3 0.008778 -0.127214 0.025587 0.031732 -0.046568 0.230419 30O 1s -0.002059 0.001291 -0.000588 -0.001033 -0.000179 -0.000653 30O 2s -0.008048 0.005009 -0.003948 -0.004211 -0.003057 -0.002734 30O 3s 0.108143 -0.073685 0.091307 0.044304 0.094541 0.042026 30O 4s -0.404434 0.270659 -0.398585 -0.174552 -0.443226 -0.142392 30O 5s 0.041335 0.205706 -0.291629 0.033022 -0.267556 -0.003440 30O 1pz 0.001526 -0.001030 -0.012366 -0.011975 -0.018728 -0.002532 30O 1px 0.022142 -0.018346 0.014940 0.029527 0.010635 -0.000896 30O 1py -0.007934 0.006739 0.013921 0.006250 0.024664 0.004777 30O 2pz 0.054800 -0.049377 0.138691 0.036863 0.164588 0.032189 30O 2px -0.168382 0.143076 -0.197450 -0.116443 -0.207267 -0.026756 30O 2py -0.030832 0.032205 -0.137555 -0.012886 -0.194899 -0.035453 30O 3pz 0.047398 -0.057643 0.065952 -0.054211 0.109235 0.157717 30O 3px -0.028997 0.079946 -0.138494 -0.023011 -0.146423 -0.080783 30O 3py -0.056523 0.062045 -0.098807 0.071343 -0.077638 -0.160027 30O 1dz2 -0.015457 0.001781 -0.019384 -0.010236 0.007523 0.017421 30O 1dxz -0.003872 0.007819 -0.007427 0.014533 -0.011165 -0.004123 30O 1dyz -0.016333 0.012505 -0.002581 -0.030699 -0.009720 0.002312 30O 1dx2y2 -0.005073 -0.005887 -0.006812 -0.015870 0.006225 0.004634 30O 1dxy -0.009684 0.001758 0.008317 -0.029605 0.010076 0.003997 30O 2dz2 0.011870 -0.010642 0.016406 0.003635 0.019275 0.003381 30O 2dxz 0.027327 -0.028531 0.053963 0.007400 0.063207 0.018530 30O 2dyz 0.007570 -0.007808 0.028044 -0.009162 0.035357 0.010564 30O 2dx2y2 -0.026930 0.027738 -0.032563 -0.018224 -0.032039 -0.005812 30O 2dxy -0.020669 0.023783 -0.054114 -0.002714 -0.067583 -0.014768 30O 1f0 -0.115513 0.053570 0.074848 -0.261702 0.088433 0.033862 30O 1f+1 -0.229551 0.074262 -0.088402 -0.285797 0.092071 0.066683 30O 1f-1 0.094079 0.026533 0.109141 0.060726 -0.085633 -0.008180 30O 1f+2 -0.227875 0.057331 -0.066416 -0.233942 0.074433 0.055426 30O 1f-2 -0.139691 0.113602 0.072420 -0.278882 0.015755 0.032444 30O 1f+3 0.049124 0.073032 0.046961 0.033630 -0.096726 -0.047415 30O 1f-3 0.186458 -0.094746 -0.011570 0.253668 -0.031634 -0.062102 31O 1s -0.002057 -0.001300 0.000593 0.001038 0.000182 -0.000630 31O 2s -0.008041 -0.005058 0.003966 0.004231 0.003062 -0.002624 31O 3s 0.108135 0.074536 -0.091550 -0.044589 -0.094551 0.040469 31O 4s -0.404880 -0.273407 0.399242 0.175405 0.443278 -0.137474 31O 5s 0.041153 -0.212175 0.293343 -0.032476 0.266513 0.002488 31O 1pz -0.001462 -0.000785 -0.012409 -0.012057 -0.018695 0.002311 31O 1px -0.022138 -0.018549 0.014948 0.029631 0.010632 0.001559 31O 1py 0.007972 0.006606 0.013946 0.006292 0.024686 -0.004932 31O 2pz -0.055164 -0.050826 0.139061 0.037210 0.164533 -0.030473 31O 2px 0.168451 0.144722 -0.197589 -0.116814 -0.207253 0.023092 31O 2py 0.030864 0.033429 -0.137791 -0.013092 -0.194879 0.035040 31O 3pz -0.047702 -0.058638 0.067287 -0.053264 0.108637 -0.160444 31O 3px 0.028602 0.082155 -0.139450 -0.023191 -0.145830 0.079531 31O 3py 0.057124 0.063802 -0.099741 0.070287 -0.076964 0.161479 31O 1dz2 -0.015443 -0.001798 0.019277 0.010192 -0.007493 0.017791 31O 1dxz -0.003824 -0.007646 0.007428 -0.014562 0.011171 -0.004195 31O 1dyz -0.016379 -0.012399 0.002451 0.030748 0.009752 0.002297 31O 1dx2y2 -0.004958 0.005791 0.006765 0.015933 -0.006209 0.004916 31O 1dxy -0.009636 -0.001819 -0.008380 0.029620 -0.009993 0.004280 31O 2dz2 0.011816 0.010754 -0.016370 -0.003627 -0.019239 0.003264 31O 2dxz 0.027398 0.029019 -0.054105 -0.007517 -0.063208 0.018060 31O 2dyz 0.007508 0.008313 -0.028197 0.009048 -0.035283 0.009787 31O 2dx2y2 -0.026940 -0.027815 0.032545 0.018225 0.032079 -0.005720 31O 2dxy -0.020704 -0.024310 0.054148 0.002817 0.067554 -0.014401 31O 1f0 0.114733 0.053995 0.075619 -0.261688 0.088021 -0.035515 31O 1f+1 0.229783 0.074965 -0.087599 -0.286098 0.091972 -0.069724 31O 1f-1 -0.095473 0.026237 0.109129 0.061483 -0.086084 0.009564 31O 1f+2 0.227647 0.057816 -0.065825 -0.234323 0.074220 -0.057879 31O 1f-2 0.138339 0.113875 0.073297 -0.278716 0.015075 -0.034116 31O 1f+3 -0.049538 0.072591 0.046737 0.034080 -0.096973 0.048297 31O 1f-3 -0.185603 -0.094936 -0.012329 0.253675 -0.030901 0.064094 32O 1s 0.000101 -0.000470 0.000212 0.000352 -0.000548 -0.002314 32O 2s 0.000353 -0.000634 0.000492 0.000906 -0.001391 -0.006311 32O 3s -0.004047 -0.013012 -0.000086 -0.003425 0.004593 0.033455 32O 4s 0.009432 0.072080 -0.007276 -0.001001 0.004278 -0.085694 32O 5s -0.004194 -0.011648 -0.029446 -0.038078 0.062686 0.566127 32O 1pz -0.000889 -0.010658 0.004362 -0.001186 -0.003728 -0.012254 32O 1px 0.001310 0.022671 -0.002153 -0.005568 0.007092 0.024622 32O 1py -0.002835 -0.004505 0.001463 0.002717 -0.003784 -0.017412 32O 2pz 0.003586 0.033477 -0.025324 0.002314 0.010475 0.052520 32O 2px -0.003225 -0.066207 0.005240 0.019354 -0.026522 -0.105276 32O 2py 0.007668 0.034658 -0.009623 -0.013882 0.021175 0.094621 32O 3pz -0.001259 0.018865 -0.027951 -0.009224 0.001147 -0.001268 32O 3px 0.002882 -0.060702 -0.000329 0.004415 -0.010510 0.049076 32O 3py 0.000175 0.062617 -0.014756 -0.021636 0.036991 0.198879 32O 1dz2 -0.001823 -0.021246 0.006386 -0.000268 -0.000601 -0.056951 32O 1dxz 0.000012 -0.007181 -0.007480 0.002847 0.004941 -0.034813 32O 1dyz 0.001218 0.014858 -0.006056 0.001446 -0.000637 0.029143 32O 1dx2y2 -0.001333 -0.023685 0.000671 0.007651 -0.008717 -0.020950 32O 1dxy -0.000311 -0.027188 0.000527 0.000391 0.002909 -0.049534 32O 2dz2 0.000192 -0.002853 -0.005200 -0.001012 0.003748 -0.013015 32O 2dxz -0.000355 0.001749 0.000227 -0.002992 0.006724 -0.005272 32O 2dyz 0.001039 0.010896 -0.011818 0.000923 0.001138 0.019525 32O 2dx2y2 -0.001575 -0.015619 0.003990 0.005005 -0.007648 -0.016194 32O 2dxy 0.000935 -0.020586 0.000227 0.005524 -0.007409 -0.037873 32O 1f0 -0.006836 -0.053451 0.012837 0.020089 -0.022152 -0.092007 32O 1f+1 0.006468 0.061780 -0.008272 -0.008117 0.025004 0.106148 32O 1f-1 0.003743 0.008112 -0.003418 -0.015719 0.022087 -0.024356 32O 1f+2 -0.000278 -0.052372 0.003528 -0.011478 0.014592 -0.149997 32O 1f-2 -0.005005 -0.091651 0.009402 0.016302 -0.015199 -0.195738 32O 1f+3 -0.013596 -0.217964 0.020707 0.026187 -0.013875 -0.466876 32O 1f-3 -0.008970 -0.131262 0.026609 0.034605 -0.049211 -0.236508 33O 1s 0.001000 -0.001669 0.000013 -0.000175 -0.001188 -0.000326 33O 2s 0.003804 -0.005843 0.000605 -0.002534 -0.006649 -0.002253 33O 3s -0.048722 0.062792 -0.037758 0.067289 0.137143 0.054488 33O 4s 0.180791 -0.209343 0.156131 -0.334252 -0.582070 -0.235060 33O 5s -0.035036 -0.040710 0.193554 -0.170110 -0.362471 -0.398416 33O 1pz 0.005215 -0.011927 -0.000834 0.024076 0.022218 0.014044 33O 1px 0.013057 -0.021178 -0.011652 -0.023029 -0.025910 -0.008418 33O 1py 0.004048 -0.012202 -0.002044 0.006383 0.004781 0.004850 33O 2pz 0.011410 0.019935 0.086642 -0.164633 -0.233732 -0.145347 33O 2px -0.082102 0.100265 -0.054311 0.198138 0.304833 0.135812 33O 2py -0.018223 0.043550 0.023147 -0.019050 -0.035706 -0.041992 33O 3pz 0.033050 -0.066077 0.119889 -0.002111 -0.153503 -0.042502 33O 3px 0.008427 0.040086 -0.092183 0.096863 0.185143 0.173530 33O 3py -0.010373 -0.000235 0.061250 0.020613 0.007003 0.014288 33O 1dz2 0.004765 0.009880 0.021135 -0.000488 0.015171 -0.011333 33O 1dxz 0.001723 0.005416 0.023476 -0.001824 -0.011247 -0.009408 33O 1dyz -0.017699 0.022458 0.020579 0.025405 0.002037 -0.011538 33O 1dx2y2 0.003207 0.000478 -0.009035 -0.002612 0.011524 0.005137 33O 1dxy -0.003798 0.010146 0.016050 0.001153 0.005808 -0.010345 33O 2dz2 -0.007025 0.015253 0.008001 0.005887 0.003441 -0.011274 33O 2dxz -0.009076 0.002854 -0.044276 0.054179 0.098298 0.051451 33O 2dyz -0.005177 0.008540 0.008301 0.005670 -0.001028 -0.012242 33O 2dx2y2 0.012758 -0.013767 0.025380 -0.042310 -0.069288 -0.028523 33O 2dxy 0.007627 -0.009562 -0.008905 0.001004 0.008093 0.012277 33O 1f0 -0.046335 0.069252 0.050735 0.075370 -0.063118 -0.108309 33O 1f+1 -0.076510 0.056276 -0.028187 0.090283 -0.037387 -0.042927 33O 1f-1 0.067034 -0.172814 -0.289448 -0.034766 -0.006469 0.071487 33O 1f+2 -0.120199 0.056810 -0.033291 0.121575 -0.084024 -0.075754 33O 1f-2 0.111191 -0.223363 -0.280879 -0.094856 -0.018815 0.086418 33O 1f+3 0.105504 0.000479 0.038279 -0.060687 0.114976 0.042164 33O 1f-3 -0.145463 0.237137 0.241330 0.101779 0.086867 -0.058436 34O 1s 0.001660 0.001569 -0.000152 -0.000500 0.000153 -0.000436 34O 2s 0.006370 0.004790 -0.000536 -0.004876 0.000690 -0.002991 34O 3s -0.084630 -0.036456 -0.002827 0.131277 -0.023686 0.067911 34O 4s 0.317155 0.088705 -0.006021 -0.609438 0.074316 -0.276258 34O 5s -0.083524 -0.134162 0.082717 -0.396842 0.148081 -0.329078 34O 1pz 0.014184 0.014655 -0.003233 -0.000863 0.000442 0.004438 34O 1px -0.005370 0.000871 0.009892 0.036822 0.013897 0.016714 34O 1py -0.017723 -0.022644 0.005815 -0.012448 -0.001267 -0.012253 34O 2pz -0.059601 -0.055552 0.025098 0.031940 0.000236 -0.007824 34O 2px 0.117292 -0.027844 -0.001198 -0.423947 0.023074 -0.206483 34O 2py 0.051837 0.089230 -0.032581 0.084439 -0.021964 0.080050 34O 3pz 0.012649 0.022116 0.006300 0.033726 0.067913 0.045958 34O 3px 0.034702 0.024853 0.047099 -0.238392 0.116866 -0.175344 34O 3py -0.015113 -0.037074 -0.054195 0.011414 -0.084483 0.011866 34O 1dz2 0.014216 0.004585 0.003244 -0.015883 -0.004958 -0.000540 34O 1dxz 0.003064 -0.000757 0.011964 0.000967 -0.002766 -0.005388 34O 1dyz 0.016734 0.019917 -0.028447 -0.009478 -0.017759 0.011661 34O 1dx2y2 0.003449 0.008771 -0.010503 0.014594 -0.028425 0.003610 34O 1dxy 0.005856 0.008579 -0.001671 -0.012455 -0.009536 -0.002474 34O 2dz2 -0.012780 0.011009 -0.010288 0.063527 -0.016878 0.036179 34O 2dxz -0.017439 -0.015652 0.008077 0.030008 0.002500 0.002190 34O 2dyz -0.001431 0.001475 -0.002241 -0.010107 -0.001473 0.000396 34O 2dx2y2 0.027415 -0.010112 0.009128 -0.114856 0.019288 -0.053856 34O 2dxy 0.013195 0.027135 -0.018048 0.023294 -0.018417 0.035303 34O 1f0 -0.342934 -0.317584 0.224774 0.038692 0.311199 -0.082633 34O 1f+1 0.021366 -0.025102 0.026388 -0.028921 0.022113 -0.037071 34O 1f-1 0.002324 0.003571 0.216178 -0.007884 -0.040025 0.043131 34O 1f+2 -0.210625 -0.189073 0.181034 -0.040051 0.214548 -0.065157 34O 1f-2 0.120089 0.122884 -0.061209 -0.072355 -0.085137 0.052783 34O 1f+3 -0.003057 0.005946 -0.018207 -0.015601 0.016208 0.003601 34O 1f-3 0.035588 0.002054 -0.069369 -0.031772 0.026454 -0.023848 35O 1s -0.000818 0.001435 -0.000099 0.000156 0.000477 -0.000375 35O 2s -0.003154 0.005707 0.002442 0.002041 0.001711 -0.001714 35O 3s 0.042674 -0.082513 -0.100097 -0.050123 -0.008919 0.030299 35O 4s -0.162179 0.289788 0.476806 0.255235 0.042064 -0.105868 35O 5s 0.024094 0.181959 0.409617 0.057869 -0.076243 -0.173838 35O 1pz -0.011860 0.016062 -0.014581 -0.006766 0.009354 0.002984 35O 1px 0.004225 -0.014467 -0.020333 -0.024167 -0.017331 0.000546 35O 1py -0.001596 0.009322 -0.017459 -0.011079 -0.001260 0.003536 35O 2pz 0.038067 -0.056916 0.067543 0.008761 -0.046652 -0.026054 35O 2px -0.066311 0.156441 0.324914 0.174242 0.037357 -0.049087 35O 2py -0.006630 0.011707 0.161436 0.072031 -0.018959 -0.030833 35O 3pz -0.021359 0.010177 0.016040 -0.045568 -0.091670 -0.089561 35O 3px -0.030597 0.107221 0.224720 0.061408 -0.064728 -0.205463 35O 3py 0.008062 0.067752 0.111109 -0.023034 -0.055381 -0.092945 35O 1dz2 -0.006323 -0.002407 0.019134 -0.017402 -0.016313 -0.005795 35O 1dxz -0.007358 0.000996 -0.001545 -0.008469 0.007450 0.009520 35O 1dyz 0.011370 -0.010997 0.006627 -0.018029 -0.031895 -0.018406 35O 1dx2y2 -0.004285 -0.007855 -0.011332 -0.005775 0.016871 0.014162 35O 1dxy 0.006297 -0.010067 -0.017376 -0.004874 -0.004875 -0.004865 35O 2dz2 0.009630 -0.024619 -0.065747 -0.026597 0.004547 0.014353 35O 2dxz 0.009315 -0.014861 0.009394 -0.008894 -0.015952 -0.006862 35O 2dyz 0.003961 -0.005897 -0.000407 -0.008386 -0.009983 -0.004520 35O 2dx2y2 -0.018165 0.039772 0.078257 0.033918 -0.000620 -0.017900 35O 2dxy -0.002128 0.021388 0.075150 0.022448 -0.014597 -0.013323 35O 1f0 0.117223 -0.029551 -0.076840 0.070142 -0.133265 -0.026310 35O 1f+1 0.027306 -0.099526 0.082585 -0.091819 -0.204246 -0.074751 35O 1f-1 -0.163425 0.185906 -0.240028 0.197118 0.417311 0.216396 35O 1f+2 0.001764 0.070766 -0.009934 0.088094 -0.002381 0.013492 35O 1f-2 0.099391 -0.026356 -0.002302 0.005915 -0.096524 -0.047086 35O 1f+3 -0.048540 0.087138 -0.040153 0.083522 0.103828 0.019995 35O 1f-3 0.047088 0.001999 0.075817 -0.022654 -0.036264 -0.042574 630 631 632 633 634 635 5.22942 5.23054 5.26568 5.27697 5.30538 5.30952 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s 0.000178 -0.000087 -0.000528 -0.001443 0.000070 0.000029 0Rh 2s -0.000998 0.000478 0.003077 0.012947 -0.000416 -0.000375 0Rh 3s 0.000482 -0.000241 -0.001371 -0.000998 0.000176 -0.000050 0Rh 4s 0.006270 -0.003048 -0.019910 -0.077122 0.002584 0.002152 0Rh 5s -0.016156 0.008224 0.057985 0.199748 -0.006499 -0.005406 0Rh 6s 0.017639 -0.010271 -0.089031 -0.235746 0.006402 0.006105 0Rh 7s -0.065675 0.030719 0.267151 0.439156 -0.016102 -0.015972 0Rh 8s 0.022968 -0.007936 -0.086940 0.268366 -0.000760 -0.001656 0Rh 1pz -0.003618 -0.000132 -0.003535 -0.001826 -0.000074 -0.021943 0Rh 1px 0.004288 -0.001650 0.012309 0.006326 -0.000890 -0.007997 0Rh 1py 0.001002 0.001558 0.006683 -0.006415 0.001215 0.002226 0Rh 2pz 0.014826 0.000523 0.014307 0.007265 0.000301 0.090327 0Rh 2px -0.017682 0.006824 -0.049956 -0.025287 0.003668 0.032925 0Rh 2py -0.004130 -0.006383 -0.027354 0.026347 -0.004987 -0.009165 0Rh 3pz -0.044707 -0.001203 -0.039127 -0.017399 -0.000867 -0.279072 0Rh 3px 0.055438 -0.021846 0.139428 0.062999 -0.011429 -0.101823 0Rh 3py 0.012952 0.019095 0.081386 -0.080195 0.015116 0.028286 0Rh 4pz 0.052267 0.000128 0.031791 0.006080 0.000743 0.342411 0Rh 4px -0.071336 0.029444 -0.122922 -0.032101 0.014343 0.125132 0Rh 4py -0.016734 -0.021351 -0.089862 0.093602 -0.017745 -0.034492 0Rh 5pz -0.026409 0.002260 0.009141 0.019251 0.000687 -0.192676 0Rh 5px 0.048495 -0.020790 -0.012939 -0.044487 -0.008904 -0.069290 0Rh 5py 0.010785 0.007332 0.029081 -0.028427 0.008452 0.018669 0Rh 6pz 0.051888 -0.000829 0.026165 0.088120 -0.013761 0.381162 0Rh 6px -0.071738 0.011916 -0.064173 -0.470321 0.031721 0.109472 0Rh 6py 0.046574 -0.006666 0.159282 -0.447911 -0.015350 -0.020533 0Rh 1dz2 -0.002371 -0.010982 -0.018407 0.008764 0.000193 -0.000449 0Rh 1dxz 0.003599 -0.003481 -0.025915 0.013628 0.000488 -0.002458 0Rh 1dyz -0.017356 -0.008541 -0.004846 0.000540 0.000027 0.001020 0Rh 1dx2y2 -0.003654 -0.000626 0.041093 -0.023422 -0.000204 0.001686 0Rh 1dxy -0.008967 -0.003320 0.014024 -0.004398 -0.000581 0.000959 0Rh 2dz2 0.004378 0.000309 0.002738 0.000163 -0.000055 0.000229 0Rh 2dxz 0.000036 -0.000983 0.003602 -0.000045 -0.000065 0.000055 0Rh 2dyz 0.007590 0.006797 0.000566 -0.000019 -0.000059 -0.000112 0Rh 2dx2y2 0.003036 -0.001388 -0.005306 0.000828 0.000112 -0.000407 0Rh 2dxy 0.003805 0.001799 -0.001862 -0.000178 0.000112 -0.000219 0Rh 3dz2 -0.009516 0.049366 0.073399 -0.042201 -0.000648 0.001011 0Rh 3dxz -0.016892 0.020749 0.104652 -0.064309 -0.002008 0.011355 0Rh 3dyz 0.044770 0.007780 0.020033 -0.002473 0.000175 -0.004335 0Rh 3dx2y2 0.002893 0.009167 -0.167601 0.106801 0.000455 -0.006051 0Rh 3dxy 0.023841 0.006887 -0.057038 0.021755 0.002225 -0.003520 0Rh 4dz2 0.040869 -0.088910 -0.128818 0.088499 0.000989 -0.000670 0Rh 4dxz 0.031872 -0.043697 -0.185348 0.133533 0.003716 -0.022038 0Rh 4dyz -0.041134 0.021648 -0.035753 0.005504 -0.000789 0.008355 0Rh 4dx2y2 0.008991 -0.021615 0.298213 -0.216474 -0.000572 0.010097 0Rh 4dxy -0.024856 -0.002336 0.101448 -0.047646 -0.003926 0.006019 0Rh 5dz2 -0.132436 0.079778 0.127260 -0.188960 -0.000972 -0.003807 0Rh 5dxz -0.034445 0.065210 0.187921 -0.280177 -0.004984 0.030164 0Rh 5dyz -0.125175 -0.163991 0.036802 -0.017754 0.001833 -0.007794 0Rh 5dx2y2 -0.060946 0.030869 -0.307038 0.429893 0.000663 -0.006293 0Rh 5dxy -0.048283 -0.041320 -0.108758 0.118443 0.004085 -0.004374 0Rh 1f0 -0.001308 -0.000303 -0.009059 -0.010497 -0.000429 0.009631 0Rh 1f+1 0.002786 0.001190 0.008828 0.006635 -0.000047 0.009848 0Rh 1f-1 0.000146 -0.002201 0.005501 -0.002081 -0.000226 -0.007124 0Rh 1f+2 -0.001514 -0.000212 0.015910 0.009755 0.000082 0.004955 0Rh 1f-2 0.004238 0.004530 0.007168 0.002034 -0.000506 -0.002601 0Rh 1f+3 -0.001382 0.002117 0.016861 0.014202 0.000537 -0.001130 0Rh 1f-3 -0.002539 -0.000699 0.007667 0.009362 -0.000248 0.002811 1Rh 1s 0.000175 -0.000088 -0.000529 0.001438 -0.000070 0.000022 1Rh 2s -0.000963 0.000495 0.003081 -0.012916 0.000410 -0.000298 1Rh 3s 0.000483 -0.000235 -0.001375 0.000989 -0.000177 -0.000047 1Rh 4s 0.006065 -0.003143 -0.019934 0.076934 -0.002551 0.001699 1Rh 5s -0.015620 0.008486 0.058039 -0.199269 0.006422 -0.004212 1Rh 6s 0.016965 -0.010674 -0.089051 0.235229 -0.006337 0.004597 1Rh 7s -0.064277 0.031760 0.266974 -0.438130 0.015865 -0.013075 1Rh 8s 0.022948 -0.007473 -0.087417 -0.267825 0.000729 -0.000448 1Rh 1pz 0.003699 0.000120 0.003573 -0.001655 -0.000390 0.021974 1Rh 1px -0.004362 0.001526 -0.012298 0.006342 -0.001041 0.007950 1Rh 1py -0.000970 -0.001511 -0.006621 -0.006290 0.001297 -0.002115 1Rh 2pz -0.015159 -0.000472 -0.014463 0.006563 0.001601 -0.090453 1Rh 2px 0.017982 -0.006320 0.049910 -0.025353 0.004291 -0.032734 1Rh 2py 0.004001 0.006188 0.027104 0.025832 -0.005327 0.008706 1Rh 3pz 0.045669 0.001030 0.039595 -0.015264 -0.004838 0.279423 1Rh 3px -0.056304 0.020375 -0.139312 0.063240 -0.013331 0.101321 1Rh 3py -0.012578 -0.018511 -0.080655 -0.078621 0.016230 -0.026893 1Rh 4pz -0.053252 0.000120 -0.032321 0.003556 0.005482 -0.342710 1Rh 4px 0.072208 -0.027915 0.122855 -0.032512 0.016612 -0.124794 1Rh 4py 0.016356 0.020696 0.089087 0.091702 -0.019305 0.032866 1Rh 5pz 0.026565 -0.002414 -0.009009 0.020407 -0.001683 0.192575 1Rh 5px -0.048634 0.020453 0.012883 -0.044024 -0.010106 0.069576 1Rh 5py -0.010761 -0.007148 -0.028895 -0.027426 0.009735 -0.018006 1Rh 6pz -0.050345 -0.000220 -0.024577 0.086689 -0.010245 -0.380524 1Rh 6px 0.072521 -0.011522 0.062645 -0.472359 0.034507 -0.109039 1Rh 6py -0.045448 0.008483 -0.157406 -0.444538 -0.019475 0.023205 1Rh 1dz2 -0.002340 -0.010911 -0.018390 -0.008782 -0.000249 -0.000406 1Rh 1dxz 0.003676 -0.003437 -0.025911 -0.013582 -0.000508 -0.002381 1Rh 1dyz -0.017315 -0.008522 -0.004716 -0.000373 -0.000046 0.001061 1Rh 1dx2y2 -0.003735 -0.000739 0.041139 0.023463 0.000287 0.001513 1Rh 1dxy -0.008970 -0.003363 0.014124 0.004531 0.000615 0.000959 1Rh 2dz2 0.004379 0.000298 0.002739 -0.000149 0.000059 0.000217 1Rh 2dxz 0.000030 -0.000988 0.003601 0.000047 0.000080 0.000047 1Rh 2dyz 0.007600 0.006791 0.000558 0.000036 0.000061 -0.000127 1Rh 2dx2y2 0.003044 -0.001379 -0.005307 -0.000829 -0.000119 -0.000390 1Rh 2dxy 0.003813 0.001801 -0.001867 0.000175 -0.000114 -0.000226 1Rh 3dz2 -0.009665 0.049082 0.073317 0.042223 0.000896 0.000864 1Rh 3dxz -0.017225 0.020564 0.104644 0.064085 0.002032 0.011030 1Rh 3dyz 0.044530 0.007716 0.019457 0.001604 -0.000095 -0.004454 1Rh 3dx2y2 0.003233 0.009653 -0.167825 -0.106995 -0.000812 -0.005315 1Rh 3dxy 0.023819 0.007080 -0.057492 -0.022373 -0.002379 -0.003483 1Rh 4dz2 0.041189 -0.088399 -0.128645 -0.088432 -0.001461 -0.000416 1Rh 4dxz 0.032514 -0.043337 -0.185381 -0.133100 -0.003693 -0.021400 1Rh 4dyz -0.040587 0.021744 -0.034593 -0.003590 0.000641 0.008506 1Rh 4dx2y2 0.008339 -0.022554 0.298710 0.216893 0.001236 0.008677 1Rh 4dxy -0.024775 -0.002714 0.102365 0.048902 0.004222 0.005881 1Rh 5dz2 -0.133113 0.078997 0.126757 0.187994 0.001546 -0.004239 1Rh 5dxz -0.035613 0.064520 0.188316 0.279745 0.004713 0.028946 1Rh 5dyz -0.126330 -0.164023 0.034471 0.013410 -0.001731 -0.007691 1Rh 5dx2y2 -0.059750 0.032572 -0.308124 -0.430645 -0.001435 -0.003915 1Rh 5dxy -0.048488 -0.040606 -0.110544 -0.120730 -0.004484 -0.003786 1Rh 1f0 0.001345 0.000344 0.009052 -0.010477 -0.000224 -0.009591 1Rh 1f+1 -0.002786 -0.001210 -0.008881 0.006503 0.000094 -0.009877 1Rh 1f-1 -0.000127 0.002178 -0.005445 -0.001905 -0.000216 0.007143 1Rh 1f+2 0.001525 0.000254 -0.015845 0.009792 0.000100 -0.004994 1Rh 1f-2 -0.004283 -0.004511 -0.007213 0.001999 -0.000522 0.002586 1Rh 1f+3 0.001371 -0.002160 -0.016841 0.014184 0.000502 0.001063 1Rh 1f-3 0.002529 0.000648 -0.007600 0.009367 -0.000278 -0.002830 2C 1s 0.002711 0.002092 0.002884 -0.000400 0.000207 0.000108 2C 2s 0.003147 0.002354 0.003916 -0.000387 0.000215 -0.000069 2C 3s 0.077672 0.041959 0.000942 -0.009884 0.007859 0.014050 2C 4s -0.612674 -0.407527 -0.289172 0.046907 -0.047223 -0.049158 2C 5s -0.712448 -0.149724 0.315394 -0.100626 0.014637 0.116966 2C 1pz -0.001015 -0.014816 -0.016305 -0.000987 0.000265 -0.000672 2C 1px -0.006331 -0.009152 -0.008863 0.007917 0.000379 0.003336 2C 1py -0.005630 -0.001666 -0.011832 0.000590 -0.000206 0.001375 2C 2pz -0.355595 -0.240000 -0.218945 0.030385 0.023340 -0.023305 2C 2px 0.034566 0.041290 0.049947 -0.108676 -0.012465 -0.008776 2C 2py -0.260416 -0.180286 -0.152356 -0.011600 -0.073495 0.053120 2C 3pz -0.162902 -0.046956 0.082902 -0.022688 -0.030997 0.051091 2C 3px -0.060427 -0.033057 0.014148 0.025756 0.011344 -0.034140 2C 3py -0.103326 -0.017101 0.050075 -0.010997 0.045204 -0.031811 2C 1dz2 -0.038471 -0.007399 -0.022902 -0.001926 -0.002173 0.003589 2C 1dxz -0.027819 -0.005374 -0.015741 0.002998 -0.007230 0.003092 2C 1dyz -0.036110 -0.045019 -0.029661 0.001291 -0.002938 0.002279 2C 1dx2y2 0.001672 0.020579 0.005885 -0.003626 -0.005703 0.006897 2C 1dxy -0.009726 -0.013675 -0.009735 0.002933 0.008379 -0.009342 2C 2dz2 -0.104758 -0.004581 -0.049978 0.018785 -0.054909 0.064793 2C 2dxz -0.112600 -0.029034 -0.073044 -0.027394 -0.013168 -0.014597 2C 2dyz -0.044203 -0.051476 -0.026785 -0.010783 0.014500 -0.013115 2C 2dx2y2 0.042240 0.096500 0.054060 -0.034590 -0.032063 0.027811 2C 2dxy 0.028340 -0.035175 0.005796 -0.020870 0.029618 -0.047295 2C 1f0 -0.038198 0.049947 -0.000849 0.002976 -0.045553 0.053537 2C 1f+1 -0.009321 0.015688 0.001403 -0.008514 0.034875 -0.041059 2C 1f-1 -0.037438 -0.023313 -0.026306 0.007893 0.025495 -0.024490 2C 1f+2 -0.019552 0.029678 -0.015608 -0.012031 0.020332 -0.016944 2C 1f-2 -0.024882 -0.006465 -0.004128 -0.002269 -0.037439 0.010111 2C 1f+3 -0.010356 -0.005131 -0.007890 -0.007319 -0.052652 0.047042 2C 1f-3 0.027638 -0.008927 0.016953 0.004795 -0.009800 0.017178 3C 1s -0.003653 -0.001464 0.002822 0.000005 -0.000024 0.000285 3C 2s -0.004935 -0.001245 0.003637 0.000276 0.000070 0.000382 3C 3s -0.044125 -0.059883 0.006981 -0.025196 -0.005694 0.001823 3C 4s 0.567682 0.425976 -0.294462 0.132064 0.011555 -0.040424 3C 5s 0.637396 0.166961 0.442172 -0.024441 -0.014411 -0.023658 3C 1pz 0.007492 -0.005963 -0.006967 -0.004325 0.000173 -0.001168 3C 1px 0.009099 0.004023 -0.007525 0.004661 -0.001435 0.000506 3C 1py -0.015269 -0.011276 0.019952 0.003369 0.000500 0.002476 3C 2pz 0.318044 0.214337 -0.182323 0.069637 -0.042222 -0.048324 3C 2px 0.084372 0.049110 -0.028091 -0.082326 -0.038834 -0.049801 3C 2py -0.304336 -0.204375 0.165179 -0.073181 -0.037414 -0.039329 3C 3pz 0.049923 0.009148 0.054210 0.010439 0.017831 0.018504 3C 3px 0.072176 0.029632 0.037650 0.013177 0.048528 0.036818 3C 3py -0.133766 -0.069851 -0.100666 -0.003792 0.031589 0.037578 3C 1dz2 -0.024399 0.002912 0.010001 0.001027 -0.001914 0.000521 3C 1dxz 0.010190 0.019052 -0.011087 0.004767 0.009154 0.006443 3C 1dyz -0.031370 -0.037537 0.025055 0.000532 -0.004459 -0.005851 3C 1dx2y2 -0.044225 -0.007358 0.019341 0.001961 0.003893 0.004407 3C 1dxy -0.036708 -0.018816 0.019938 -0.000475 0.005794 0.009724 3C 2dz2 -0.011060 0.027404 -0.007998 0.013900 0.007982 0.014753 3C 2dxz 0.043059 0.069179 -0.050372 0.021050 0.041207 0.027781 3C 2dyz 0.039059 -0.058591 -0.000968 -0.027665 -0.014315 -0.034241 3C 2dx2y2 -0.153752 -0.025911 0.060528 -0.027084 0.058723 0.054610 3C 2dxy -0.108365 -0.032093 0.059269 0.031668 -0.024722 -0.006108 3C 1f0 -0.045477 -0.006470 0.017342 0.005601 0.045971 0.049868 3C 1f+1 -0.036557 0.012565 0.021184 0.001593 -0.032612 -0.029122 3C 1f-1 0.047497 -0.046605 0.002384 -0.011215 -0.033808 -0.046452 3C 1f+2 -0.015683 -0.019508 0.014365 -0.014819 -0.024627 -0.029896 3C 1f-2 0.005931 -0.023920 -0.001661 0.003357 0.027111 0.041243 3C 1f+3 0.014817 0.007440 -0.014479 -0.004083 0.053193 0.045222 3C 1f-3 -0.003141 0.022280 -0.014679 -0.001680 0.010236 -0.003644 4C 1s 0.000072 0.000280 0.001438 0.000754 0.000018 -0.000207 4C 2s 0.001949 0.001691 0.003567 0.001293 0.000149 -0.000335 4C 3s -0.132938 -0.059391 -0.020601 0.005132 -0.004454 -0.024021 4C 4s 0.567098 0.219244 0.051290 -0.060858 0.016115 0.127632 4C 5s -0.203594 -0.288669 -0.138032 -0.113087 -0.032369 0.032835 4C 1pz 0.020163 0.032689 0.026082 -0.002950 -0.000470 0.009889 4C 1px 0.006711 0.012828 0.015412 0.001134 -0.000002 -0.025156 4C 1py 0.029168 0.001576 0.023130 0.000153 0.003001 -0.007342 4C 2pz -0.302044 -0.283221 -0.273806 0.041278 -0.006659 -0.087913 4C 2px -0.040128 -0.102637 -0.145156 -0.116211 -0.022025 0.321897 4C 2py -0.244996 -0.135599 -0.226047 -0.026729 -0.038207 0.094969 4C 3pz -0.878494 -0.456639 0.165175 -0.059661 0.001211 0.035817 4C 3px -0.151972 -0.107096 0.046243 -0.058930 -0.002081 0.121367 4C 3py -0.617605 -0.280544 0.116337 -0.076949 -0.023310 0.081618 4C 1dz2 -0.004836 0.026447 0.007131 -0.013690 0.024014 -0.021760 4C 1dxz -0.012290 0.005536 0.015434 0.012326 -0.032599 0.033539 4C 1dyz 0.035085 0.009145 0.012254 -0.004856 -0.024800 0.023763 4C 1dx2y2 0.001904 0.011568 -0.016705 0.007228 -0.040356 0.033995 4C 1dxy 0.007747 0.001402 -0.021240 0.007030 0.060775 -0.043799 4C 2dz2 0.078195 0.147927 0.121631 0.077688 -0.005766 -0.025759 4C 2dxz 0.094076 0.087261 0.070410 -0.130221 -0.000779 0.039924 4C 2dyz 0.159232 0.071073 0.115756 0.012022 0.015650 -0.002268 4C 2dx2y2 -0.126839 -0.076598 -0.136853 -0.035951 -0.019614 0.045724 4C 2dxy 0.011691 -0.005519 -0.024456 -0.115354 -0.003173 0.041433 4C 1f0 0.032030 -0.050178 0.025616 0.009017 -0.056306 0.039265 4C 1f+1 0.009955 -0.010653 0.026374 0.017183 0.054231 -0.043197 4C 1f-1 -0.071617 -0.060336 -0.048369 0.003733 0.034275 -0.051298 4C 1f+2 0.053130 -0.021838 0.001479 0.005246 0.034864 -0.043219 4C 1f-2 -0.018035 -0.029782 -0.019332 -0.004385 -0.038263 0.064348 4C 1f+3 -0.014642 -0.008692 0.001883 0.019661 -0.074804 0.055247 4C 1f-3 -0.005374 0.033782 0.039401 0.014580 -0.020125 -0.008744 5C 1s -0.000535 0.000268 0.001101 -0.001001 0.000433 0.000533 5C 2s -0.002585 -0.000711 0.002949 -0.002184 0.000749 0.000816 5C 3s 0.070574 0.084631 -0.023388 0.044510 0.005987 0.024933 5C 4s -0.220941 -0.370581 0.085141 -0.170588 -0.046498 -0.137850 5C 5s 0.279681 0.262503 -0.169217 0.101805 0.035770 -0.049927 5C 1pz -0.030461 0.006099 0.015965 0.000963 0.000984 0.010310 5C 1px -0.014715 -0.008897 0.005113 0.001751 0.003897 -0.018165 5C 1py 0.031429 0.029519 -0.031066 0.001243 0.000743 -0.005383 5C 2pz 0.256939 0.078694 -0.189062 0.073771 -0.020713 -0.136203 5C 2px 0.214919 0.070071 -0.009882 -0.173431 -0.010776 0.252509 5C 2py -0.370345 -0.251701 0.296548 -0.075800 0.006779 0.093786 5C 3pz 0.527126 0.253333 0.160260 0.025065 -0.001880 -0.069115 5C 3px 0.294286 0.187178 0.046839 -0.022751 -0.019663 0.027586 5C 3py -0.820521 -0.481871 -0.227959 -0.063201 -0.020813 0.071416 5C 1dz2 -0.006291 0.023873 0.016700 -0.004311 -0.034492 -0.034336 5C 1dxz -0.005845 0.010254 -0.000205 0.015838 0.061425 0.064508 5C 1dyz 0.031412 0.011212 -0.002415 0.002694 0.001294 0.001379 5C 1dx2y2 -0.001925 0.012372 -0.023248 -0.002500 0.007924 0.006396 5C 1dxy 0.002158 0.008243 -0.019619 -0.010288 0.050166 0.041619 5C 2dz2 -0.084615 0.051420 0.003083 0.075618 0.007961 0.002768 5C 2dxz -0.129348 -0.042855 0.103824 -0.098209 0.025137 0.079996 5C 2dyz 0.128276 0.040682 -0.058514 -0.056607 0.004018 0.034620 5C 2dx2y2 0.220348 0.122431 -0.133453 -0.058868 0.011534 0.018092 5C 2dxy 0.106680 0.077179 -0.110828 0.174110 -0.025884 -0.073221 5C 1f0 -0.056944 -0.038216 0.043317 -0.016432 0.061093 0.086266 5C 1f+1 -0.014529 -0.030013 0.035121 0.000182 -0.054842 -0.073874 5C 1f-1 -0.051282 0.047656 0.012693 0.000334 -0.032703 -0.018705 5C 1f+2 -0.061905 -0.036237 0.035557 0.012119 -0.029971 -0.025907 5C 1f-2 -0.038934 -0.002412 -0.018917 0.020888 0.039264 0.009396 5C 1f+3 0.007153 0.035902 -0.016159 0.019441 0.076928 0.081478 5C 1f-3 0.023644 -0.030586 -0.021992 0.001035 0.009094 0.017200 6C 1s -0.000537 0.000256 0.001096 0.000976 -0.000437 0.000520 6C 2s -0.002591 -0.000723 0.002950 0.002135 -0.000756 0.000790 6C 3s 0.070876 0.083557 -0.025674 -0.043585 -0.006260 0.024916 6C 4s -0.222077 -0.364711 0.096328 0.167774 0.048239 -0.137214 6C 5s 0.280435 0.261260 -0.167064 -0.096224 -0.034761 -0.050782 6C 1pz 0.030400 -0.006141 -0.015916 0.001033 0.001206 -0.010380 6C 1px 0.014816 0.008855 -0.004963 0.002349 0.003468 0.018112 6C 1py -0.031382 -0.029477 0.030894 0.000913 0.000686 0.005389 6C 2pz -0.256563 -0.078908 0.189296 0.072217 -0.023259 0.136218 6C 2px -0.215691 -0.068158 0.002669 -0.185562 -0.005554 -0.251386 6C 2py 0.370575 0.251520 -0.294776 -0.069562 0.008100 -0.093476 6C 3pz -0.526558 -0.254472 -0.160419 0.020044 -0.003921 0.069444 6C 3px -0.294914 -0.187839 -0.047583 -0.028847 -0.018311 -0.028119 6C 3py 0.820366 0.484024 0.229055 -0.054642 -0.018993 -0.071075 6C 1dz2 -0.006288 0.023879 0.016365 0.003599 0.034760 -0.033956 6C 1dxz -0.005701 0.010363 -0.000218 -0.015085 -0.061839 0.063853 6C 1dyz 0.031490 0.011038 -0.002459 -0.002423 -0.001330 0.001281 6C 1dx2y2 -0.001779 0.012460 -0.023004 0.003170 -0.008125 0.006287 6C 1dxy 0.001934 0.008113 -0.019774 0.010681 -0.050363 0.040876 6C 2dz2 -0.083935 0.051320 0.001146 -0.076833 -0.008432 0.003529 6C 2dxz -0.129563 -0.043980 0.103835 0.097560 -0.025852 0.079081 6C 2dyz 0.127965 0.039518 -0.058062 0.059710 -0.004155 0.033829 6C 2dx2y2 0.220118 0.122016 -0.130044 0.063963 -0.011706 0.017648 6C 2dxy 0.107488 0.078217 -0.112357 -0.175368 0.026695 -0.071831 6C 1f0 0.056921 0.038253 -0.043403 -0.016678 0.061806 -0.085465 6C 1f+1 0.014640 0.030019 -0.034312 0.001280 -0.055503 0.073184 6C 1f-1 0.051043 -0.047680 -0.012800 0.000587 -0.032518 0.018141 6C 1f+2 0.062017 0.036148 -0.035424 0.013054 -0.030085 0.025433 6C 1f-2 0.038884 0.002019 0.019019 0.021168 0.038983 -0.009176 6C 1f+3 -0.007211 -0.035691 0.016781 0.018593 0.077501 -0.080555 6C 1f-3 -0.023412 0.030451 0.021596 0.000730 0.009249 -0.016954 7C 1s 0.000080 0.000287 0.001447 -0.000704 -0.000008 -0.000196 7C 2s 0.001965 0.001696 0.003592 -0.001200 -0.000127 -0.000317 7C 3s -0.132244 -0.059328 -0.021692 -0.005816 0.004565 -0.024009 7C 4s 0.563434 0.218274 0.056183 0.060658 -0.017067 0.127030 7C 5s -0.209225 -0.283809 -0.139278 0.107288 0.031597 0.031570 7C 1pz -0.020177 -0.032449 -0.025975 -0.003741 -0.000466 -0.009895 7C 1px -0.006862 -0.012693 -0.015627 0.001468 -0.000301 0.025071 7C 1py -0.029325 -0.001483 -0.023181 -0.000139 0.002872 0.007381 7C 2pz 0.301610 0.280491 0.270619 0.055751 -0.005123 0.088630 7C 2px 0.042328 0.101512 0.151236 -0.124158 -0.020701 -0.322284 7C 2py 0.246723 0.134419 0.227219 -0.021153 -0.036799 -0.095293 7C 3pz 0.875181 0.459839 -0.166452 -0.048668 0.002690 -0.035328 7C 3px 0.151524 0.106769 -0.045402 -0.057671 0.000026 -0.119589 7C 3py 0.617295 0.283631 -0.117101 -0.070916 -0.021754 -0.081541 7C 1dz2 -0.004615 0.026546 0.007519 0.013682 -0.023607 -0.022129 7C 1dxz -0.012288 0.005659 0.015081 -0.011789 0.032316 0.034145 7C 1dyz 0.034886 0.008998 0.012067 0.004982 0.024391 0.024019 7C 1dx2y2 0.001904 0.011875 -0.016439 -0.007552 0.039605 0.034522 7C 1dxy 0.007551 0.001502 -0.021482 -0.006999 -0.059733 -0.044394 7C 2dz2 0.078311 0.147486 0.122156 -0.075897 0.005970 -0.025325 7C 2dxz 0.093455 0.085848 0.068209 0.136633 0.002310 0.040501 7C 2dyz 0.159376 0.070736 0.116236 -0.008847 -0.015384 -0.002439 7C 2dx2y2 -0.128102 -0.076319 -0.136819 0.031950 0.018569 0.045503 7C 2dxy 0.010746 -0.005536 -0.025195 0.117309 0.004035 0.041812 7C 1f0 -0.032308 0.050218 -0.025533 0.008797 -0.055457 -0.040121 7C 1f+1 -0.010339 0.010572 -0.026329 0.016962 0.053468 0.043963 7C 1f-1 0.071366 0.060445 0.048119 0.005158 0.033566 0.051698 7C 1f+2 -0.053094 0.021767 -0.002022 0.005820 0.034294 0.043809 7C 1f-2 0.018045 0.029875 0.019527 -0.004525 -0.036947 -0.064568 7C 1f+3 0.014528 0.008653 -0.002140 0.020386 -0.073307 -0.056146 7C 1f-3 0.005143 -0.033609 -0.039625 0.014721 -0.020074 0.008319 8C 1s -0.003644 -0.001468 0.002820 -0.000025 0.000026 0.000291 8C 2s -0.004916 -0.001264 0.003628 -0.000285 -0.000069 0.000387 8C 3s -0.044379 -0.059073 0.007539 0.023659 0.005586 0.002103 8C 4s 0.568409 0.422796 -0.295719 -0.121892 -0.010879 -0.041615 8C 5s 0.635559 0.172563 0.443424 0.029207 0.015573 -0.021856 8C 1pz -0.007483 0.005900 0.006957 -0.004284 0.000142 0.001213 8C 1px -0.009310 -0.004172 0.007544 0.004770 -0.001376 -0.000544 8C 1py 0.015168 0.011253 -0.019799 0.003290 0.000483 -0.002473 8C 2pz -0.317407 -0.212642 0.180937 0.066002 -0.043583 0.048830 8C 2px -0.081420 -0.046653 0.026562 -0.084470 -0.038626 0.048866 8C 2py 0.306575 0.204426 -0.166143 -0.066598 -0.037940 0.039316 8C 3pz -0.050130 -0.009999 -0.054396 0.009734 0.018900 -0.019741 8C 3px -0.072390 -0.030192 -0.037481 0.012217 0.047539 -0.035306 8C 3py 0.133314 0.070259 0.100681 -0.002643 0.032300 -0.037298 8C 1dz2 -0.024353 0.002944 0.009947 -0.001160 0.001871 0.000572 8C 1dxz 0.010308 0.019221 -0.011091 -0.004540 -0.009253 0.006455 8C 1dyz -0.031471 -0.037429 0.025071 -0.001130 0.004591 -0.005821 8C 1dx2y2 -0.043922 -0.007140 0.019243 -0.002248 -0.003942 0.004482 8C 1dxy -0.036952 -0.018807 0.019916 0.000312 -0.005923 0.009714 8C 2dz2 -0.010680 0.027590 -0.008102 -0.014742 -0.009139 0.015622 8C 2dxz 0.043162 0.070040 -0.050413 -0.019512 -0.041406 0.027690 8C 2dyz 0.038133 -0.058233 -0.000533 0.026043 0.015530 -0.035160 8C 2dx2y2 -0.152786 -0.025489 0.059724 0.026479 -0.058918 0.053891 8C 2dxy -0.108640 -0.031419 0.059168 -0.033345 0.023405 -0.004407 8C 1f0 0.045368 0.006289 -0.017301 0.005462 0.046319 -0.049471 8C 1f+1 0.036157 -0.012484 -0.021007 0.001859 -0.032714 0.028622 8C 1f-1 -0.047171 0.046834 -0.002375 -0.010867 -0.034287 0.046245 8C 1f+2 0.015529 0.019370 -0.014480 -0.014308 -0.024915 0.029504 8C 1f-2 -0.005657 0.023749 0.001461 0.003331 0.027426 -0.040995 8C 1f+3 -0.014886 -0.007471 0.014511 -0.005014 0.053367 -0.044673 8C 1f-3 0.003045 -0.022575 0.014782 -0.001602 0.010100 0.003649 9C 1s 0.002711 0.002087 0.002880 0.000450 -0.000196 0.000110 9C 2s 0.003142 0.002363 0.003911 0.000441 -0.000200 -0.000070 9C 3s 0.077332 0.041357 0.000888 0.012063 -0.007662 0.014328 9C 4s -0.611920 -0.403770 -0.288954 -0.062422 0.045209 -0.050433 9C 5s -0.704571 -0.160600 0.317351 0.095270 -0.016023 0.117496 9C 1pz 0.001153 0.014561 0.016212 -0.001101 0.000278 0.000661 9C 1px 0.006443 0.009004 0.008911 0.007999 0.000443 -0.003374 9C 1py 0.005951 0.001766 0.012045 0.000546 -0.000177 -0.001377 9C 2pz 0.357276 0.240149 0.221147 0.038178 0.024098 0.024006 9C 2px -0.035861 -0.040148 -0.050474 -0.108585 -0.010248 0.011266 9C 2py 0.257606 0.175437 0.149789 -0.006217 -0.072512 -0.054791 9C 3pz 0.160202 0.047939 -0.083059 -0.021381 -0.029943 -0.051318 9C 3px 0.059745 0.033357 -0.014425 0.026400 0.008628 0.031776 9C 3py 0.104363 0.019400 -0.050794 -0.009303 0.044954 0.032836 9C 1dz2 -0.038140 -0.006713 -0.022455 0.001597 0.002112 0.003704 9C 1dxz -0.027642 -0.004918 -0.015627 -0.003286 0.007127 0.003201 9C 1dyz -0.036740 -0.044799 -0.030015 -0.001852 0.002867 0.002395 9C 1dx2y2 0.001833 0.021059 0.006200 0.003787 0.005760 0.007103 9C 1dxy -0.010028 -0.013644 -0.009933 -0.002987 -0.008285 -0.009424 9C 2dz2 -0.102810 -0.002741 -0.048884 -0.020214 0.053393 0.065360 9C 2dxz -0.111891 -0.027650 -0.072114 0.025452 0.015121 -0.012604 9C 2dyz -0.045749 -0.051037 -0.027758 0.008767 -0.014213 -0.013083 9C 2dx2y2 0.042492 0.098237 0.054888 0.035858 0.033135 0.029456 9C 2dxy 0.027277 -0.036460 0.005042 0.021986 -0.027706 -0.046786 9C 1f0 0.037270 -0.051242 -0.000028 0.003025 -0.044988 -0.054371 9C 1f+1 0.009197 -0.015949 -0.001580 -0.008333 0.034524 0.041699 9C 1f-1 0.037553 0.022681 0.026295 0.008469 0.024879 0.024439 9C 1f+2 0.018729 -0.030014 0.015235 -0.012615 0.019934 0.016867 9C 1f-2 0.024752 0.006062 0.004078 -0.001840 -0.036269 -0.009769 9C 1f+3 0.010778 0.004797 0.007990 -0.007408 -0.051845 -0.047547 9C 1f-3 -0.027235 0.009297 -0.016417 0.004535 -0.009896 -0.017899 10H 1s -0.022560 -0.011989 -0.023812 -0.002849 0.013197 -0.016074 10H 2s -0.102140 -0.105232 -0.113280 0.053830 0.012629 0.004066 10H 3s 0.062758 0.025067 0.005453 -0.029911 -0.017051 0.001206 10H 1pz -0.014332 -0.015911 -0.016538 0.015044 0.001011 0.004557 10H 1px 0.028459 0.026487 0.032896 -0.004846 -0.011649 0.008845 10H 1py -0.011045 -0.004422 -0.008064 0.008219 -0.012204 0.014821 11H 1s 0.035703 0.003621 0.015006 -0.004443 0.028010 -0.017316 11H 2s 0.102217 -0.016528 0.043214 -0.023994 0.052000 -0.033071 11H 3s -0.010094 -0.040283 -0.025065 0.032060 -0.034490 0.010978 11H 1pz 0.020853 -0.013363 0.005036 -0.006495 0.004534 0.000784 11H 1px 0.030830 0.003665 0.014554 -0.008038 0.013938 -0.007527 11H 1py -0.013390 0.005546 -0.000773 0.001295 -0.030936 0.023840 12H 1s -0.005901 0.028249 0.003051 -0.006688 -0.037719 0.045536 12H 2s -0.028906 0.028451 -0.009792 -0.047265 -0.055951 0.060175 12H 3s 0.016655 -0.016870 -0.019283 0.030214 0.043259 -0.056605 12H 1pz 0.002443 -0.000966 -0.000253 -0.004322 0.039487 -0.038703 12H 1px 0.008643 0.015177 0.009118 -0.009066 -0.010798 0.013510 12H 1py -0.016293 0.009678 -0.009127 -0.016384 -0.017632 0.021792 13H 1s 0.032416 0.000781 -0.019822 -0.001079 0.014759 0.010296 13H 2s 0.136251 0.074411 -0.096932 0.050613 0.007586 0.004770 13H 3s -0.074083 -0.014129 -0.012639 -0.006721 -0.018889 -0.027918 13H 1pz 0.037395 0.014393 -0.022467 0.009997 -0.006537 -0.006877 13H 1px -0.027253 -0.013242 0.022844 -0.004454 -0.019398 -0.019071 13H 1py -0.007138 -0.005065 0.003266 -0.012204 0.006533 0.006261 14H 1s 0.011922 -0.022083 0.009905 -0.007772 -0.041932 -0.035799 14H 2s 0.071946 0.004724 -0.030670 -0.053361 -0.056941 -0.052508 14H 3s -0.033161 0.010580 -0.027359 0.030472 0.049339 0.050118 14H 1pz 0.029624 0.003245 -0.015076 -0.010381 -0.004396 -0.003791 14H 1px 0.011953 -0.008211 0.000619 -0.016395 -0.026579 -0.022285 14H 1py 0.005792 0.001449 0.001867 0.004662 -0.038632 -0.039853 15H 1s -0.046928 -0.004517 0.019239 0.000948 0.021690 0.030843 15H 2s -0.138408 0.003663 0.045375 -0.014990 0.046544 0.063023 15H 3s 0.015603 0.052194 -0.042150 0.011628 -0.024775 -0.032919 15H 1pz 0.034086 -0.000893 -0.009539 -0.001182 -0.025614 -0.032155 15H 1px -0.015786 -0.005091 0.009125 -0.004411 -0.005991 -0.005520 15H 1py 0.033015 -0.005614 -0.009454 0.006240 -0.007583 -0.012483 16H 1s -0.006636 -0.000681 0.015875 -0.039482 -0.000421 0.003974 16H 2s -0.029328 -0.000287 -0.124649 0.301513 0.003524 -0.037314 16H 3s 0.012197 0.008571 0.016141 -0.009068 -0.000777 -0.008007 16H 1pz -0.018847 -0.000438 -0.042206 0.102369 0.000552 -0.009902 16H 1px -0.015091 0.003697 -0.024620 0.041690 0.000591 0.017477 16H 1py 0.006161 0.000498 0.033723 -0.069906 0.000116 0.012151 17H 1s 0.003930 0.007640 0.021117 -0.050280 -0.000212 0.000590 17H 2s -0.043845 -0.011387 -0.125690 0.289648 0.001677 0.006303 17H 3s -0.011386 -0.006654 0.015712 -0.009248 -0.001797 0.008251 17H 1pz 0.024477 -0.004801 0.057294 -0.122732 -0.000014 0.008725 17H 1px -0.000641 0.005548 0.002466 -0.016390 0.000684 -0.016908 17H 1py 0.005693 0.004773 0.027226 -0.055123 0.000283 -0.011069 18H 1s 0.003436 0.007590 0.021140 0.050260 0.000277 0.000534 18H 2s -0.042765 -0.010560 -0.126246 -0.290152 -0.002434 0.007713 18H 3s -0.011131 -0.006402 0.015640 0.009133 0.001666 0.007997 18H 1pz -0.024315 0.005016 -0.056858 -0.121592 -0.000101 -0.008112 18H 1px 0.000922 -0.005351 -0.002096 -0.015526 0.000356 0.017080 18H 1py -0.005962 -0.004617 -0.028527 -0.057668 -0.000013 0.011743 19H 1s -0.006746 -0.001180 0.015862 0.039320 0.000452 0.003726 19H 2s -0.028036 0.000655 -0.124255 -0.300185 -0.003561 -0.035557 19H 3s 0.012218 0.008401 0.016227 0.008968 0.001032 -0.008101 19H 1pz 0.018700 0.000350 0.042957 0.103649 0.000541 0.009382 19H 1px 0.015202 -0.003559 0.024874 0.041741 0.000879 -0.017654 19H 1py -0.005544 -0.000240 -0.032721 -0.067353 0.000085 -0.011104 20H 1s -0.046628 -0.004145 0.019000 -0.000889 -0.022406 0.031272 20H 2s -0.136614 0.004422 0.044480 0.015948 -0.047760 0.063447 20H 3s 0.015411 0.050955 -0.042316 -0.011780 0.025508 -0.033584 20H 1pz -0.033644 0.001150 0.009286 -0.000916 -0.026499 0.032667 20H 1px 0.016250 0.005168 -0.009289 -0.004344 -0.005795 0.005130 20H 1py -0.032385 0.005943 0.009236 0.006475 -0.007655 0.012409 21H 1s 0.011324 -0.022409 0.010301 0.007341 0.042053 -0.035295 21H 2s 0.070030 0.002701 -0.028946 0.053071 0.057381 -0.052084 21H 3s -0.032092 0.010492 -0.027881 -0.029775 -0.049585 0.049262 21H 1pz -0.029397 -0.002873 0.014698 -0.010515 -0.004817 0.004127 21H 1px -0.011187 0.008801 -0.001163 -0.016097 -0.026504 0.021805 21H 1py -0.005714 -0.001353 -0.001987 0.004920 -0.038962 0.039447 22H 1s 0.032461 0.001217 -0.019740 0.001172 -0.014206 0.009621 22H 2s 0.137316 0.075111 -0.096615 -0.049407 -0.007142 0.004449 22H 3s -0.074154 -0.014854 -0.012748 0.006038 0.018410 -0.027121 22H 1pz -0.037267 -0.014429 0.022077 0.009863 -0.006765 0.006909 22H 1px 0.027693 0.013519 -0.022898 -0.004046 -0.018968 0.018347 22H 1py 0.007637 0.005440 -0.003499 -0.012315 0.006210 -0.005710 23H 1s -0.005057 0.028977 0.003720 0.006952 0.036880 0.045905 23H 2s -0.026714 0.032860 -0.007173 0.047145 0.055428 0.061587 23H 3s 0.014411 -0.016785 -0.019830 -0.030471 -0.042182 -0.057201 23H 1pz -0.002166 0.001465 0.000464 -0.004178 0.038660 0.039135 23H 1px -0.009152 -0.015399 -0.009447 -0.009085 -0.010032 -0.013002 23H 1py 0.015577 -0.011241 0.008207 -0.016525 -0.017647 -0.022522 24H 1s 0.035155 0.002496 0.014233 0.004782 -0.028275 -0.018178 24H 2s 0.098783 -0.019866 0.040475 0.026142 -0.052036 -0.034607 24H 3s -0.009667 -0.037612 -0.024796 -0.032538 0.034804 0.012296 24H 1pz -0.019801 0.014274 -0.004308 -0.007045 0.004230 -0.000921 24H 1px -0.030588 -0.002883 -0.014117 -0.008670 0.014599 0.008394 24H 1py 0.012253 -0.006133 -0.000080 0.001259 -0.030925 -0.024716 25H 1s -0.022491 -0.012380 -0.023839 0.002626 -0.012063 -0.015339 25H 2s -0.103384 -0.104038 -0.114076 -0.054397 -0.011917 0.005111 25H 3s 0.062361 0.025996 0.005428 0.030067 0.015720 -0.000137 25H 1pz 0.014818 0.016105 0.017155 0.014989 0.001541 -0.004278 25H 1px -0.028707 -0.026199 -0.032959 -0.004943 -0.010412 -0.007884 25H 1py 0.010516 0.003660 0.007498 0.008214 -0.011743 -0.014813 26O 1s -0.000844 -0.000248 -0.000617 0.000843 0.000211 -0.000493 26O 2s -0.003255 -0.000729 -0.000850 0.003399 0.000772 -0.002508 26O 3s 0.042037 0.003545 -0.020724 -0.052978 -0.008049 0.043430 26O 4s -0.147074 -0.004120 0.186861 0.214407 0.018516 -0.153193 26O 5s 0.613324 0.414255 -0.051525 0.020014 0.020536 -0.191708 26O 1pz -0.006712 -0.003470 0.018502 -0.010894 0.000328 -0.001792 26O 1px -0.001407 0.002560 0.004664 -0.000867 0.002132 -0.005676 26O 1py -0.004243 -0.002263 0.012033 -0.005630 0.002726 -0.006280 26O 2pz -0.001931 -0.013144 -0.072645 0.043987 -0.018889 0.029488 26O 2px -0.000021 -0.049585 -0.111080 -0.065410 -0.018508 0.099604 26O 2py -0.007026 -0.015431 -0.090034 -0.009936 0.017292 0.025799 26O 3pz 0.157625 0.105841 -0.044562 -0.049532 0.015278 0.006570 26O 3px -0.063809 -0.059778 -0.003207 -0.044402 -0.005307 0.149710 26O 3py 0.107724 -0.018237 -0.038397 0.001987 -0.027451 0.124895 26O 1dz2 0.003133 0.034391 0.015257 -0.011358 -0.025265 0.014041 26O 1dxz 0.001394 0.018717 0.003850 0.001142 -0.029183 0.030471 26O 1dyz 0.029771 0.008690 0.016989 -0.010641 0.005988 -0.010835 26O 1dx2y2 -0.020442 0.008905 -0.005506 -0.008037 -0.040150 0.032320 26O 1dxy 0.004793 -0.002020 -0.005147 -0.007019 0.024009 -0.017351 26O 2dz2 0.007127 0.000608 -0.030289 -0.008000 -0.001789 0.015406 26O 2dxz 0.002401 0.007252 0.006071 -0.000947 0.015185 -0.015676 26O 2dyz 0.012912 0.003910 -0.009769 0.004505 0.005824 -0.011528 26O 2dx2y2 -0.010436 0.010069 0.024231 0.004690 0.017827 -0.037344 26O 2dxy -0.002355 0.010458 0.029200 0.013593 -0.016034 -0.008620 26O 1f0 -0.151877 0.219341 -0.032042 -0.006394 0.077040 -0.048498 26O 1f+1 -0.120892 -0.075212 -0.157835 0.047711 0.201075 -0.154509 26O 1f-1 0.242628 0.185658 0.265185 -0.094547 0.079376 -0.082116 26O 1f+2 -0.067620 0.102715 -0.022984 -0.040888 0.167031 -0.169555 26O 1f-2 -0.092241 0.060960 -0.032845 0.018869 -0.069292 0.086415 26O 1f+3 0.034487 0.072127 0.069577 -0.030306 -0.113984 0.087320 26O 1f-3 -0.008919 -0.053900 -0.028220 0.013055 -0.131778 0.122251 27O 1s 0.000195 0.000491 -0.000214 0.000284 -0.000080 -0.000351 27O 2s 0.000478 0.001854 -0.000020 0.001684 -0.000230 -0.001704 27O 3s 0.002972 -0.024584 -0.017417 -0.031718 0.000033 0.025882 27O 4s -0.023642 0.090538 0.149312 0.113219 0.003111 -0.093620 27O 5s -0.692464 -0.388041 -0.268737 0.280458 0.010255 -0.001354 27O 1pz 0.003170 0.005612 0.007046 -0.006370 0.002234 0.003645 27O 1px -0.005319 0.004273 0.001030 0.007592 -0.000865 -0.000139 27O 1py -0.004379 -0.004597 -0.014674 0.009065 0.000742 0.002268 27O 2pz 0.006865 -0.011609 -0.026611 0.028521 0.018427 0.013200 27O 2px 0.099832 -0.007570 -0.055226 -0.097572 0.001357 0.041470 27O 2py -0.029181 -0.002132 0.056524 -0.023344 0.020104 0.012522 27O 3pz -0.145080 -0.026072 -0.094934 0.086647 -0.020902 -0.040513 27O 3px 0.110106 0.039601 -0.009335 0.050396 -0.006001 0.085792 27O 3py 0.106583 0.115469 0.104870 -0.071339 -0.020534 -0.077520 27O 1dz2 -0.011162 0.020404 -0.005566 0.010130 0.020102 0.019071 27O 1dxz -0.019434 0.009035 -0.005490 0.012827 0.041588 0.042153 27O 1dyz 0.032781 0.000326 -0.006637 0.004732 -0.018736 -0.012725 27O 1dx2y2 0.010827 0.027868 -0.019257 0.004729 0.026122 0.029781 27O 1dxy 0.011588 0.015584 -0.008530 -0.004073 0.022521 0.018716 27O 2dz2 0.011575 0.004617 -0.010363 -0.011994 0.003998 0.013722 27O 2dxz -0.003809 -0.002431 -0.001765 0.003271 -0.020298 -0.018984 27O 2dyz 0.007667 0.005407 0.017443 -0.011261 0.002759 0.007885 27O 2dx2y2 -0.016745 0.013352 0.025865 0.014238 -0.004171 -0.016943 27O 2dxy 0.018672 0.004277 0.000009 -0.014146 -0.015061 -0.009153 27O 1f0 0.184897 0.206212 -0.228944 0.127623 0.048419 0.063421 27O 1f+1 0.040635 -0.002632 -0.000583 -0.006260 -0.214464 -0.234692 27O 1f-1 0.232934 -0.211880 -0.067307 0.026030 0.117796 0.108829 27O 1f+2 0.193407 0.109233 -0.180210 0.066138 -0.034185 -0.038684 27O 1f-2 -0.036489 -0.066462 0.016902 -0.034447 0.140669 0.121803 27O 1f+3 -0.019357 0.038842 -0.033541 -0.003198 0.178100 0.200922 27O 1f-3 -0.047860 0.087169 0.005866 -0.018893 -0.088606 -0.102187 28O 1s -0.000203 -0.000331 -0.000018 -0.000133 -0.000026 0.000313 28O 2s -0.001115 -0.001215 0.000611 -0.000920 -0.000045 0.001709 28O 3s 0.019035 0.011851 -0.025062 0.017295 0.000921 -0.030510 28O 4s -0.075346 -0.028489 0.172261 -0.073743 -0.002718 0.116361 28O 5s 0.572385 0.365628 -0.226552 -0.154520 0.002456 0.006633 28O 1pz -0.010482 -0.001005 0.012548 0.001616 0.001232 -0.000104 28O 1px -0.006858 0.001543 0.004322 0.007647 -0.000017 0.000240 28O 1py -0.006117 -0.005014 0.009926 0.007776 -0.000059 0.002859 28O 2pz 0.003982 -0.031212 -0.083760 0.016539 0.014810 -0.046990 28O 2px 0.026598 0.012540 0.032468 -0.060913 0.008192 0.031563 28O 2py 0.001675 0.006184 -0.037278 -0.029091 -0.024709 0.013858 28O 3pz 0.063625 0.069860 -0.096275 -0.136292 -0.024020 -0.059625 28O 3px 0.104212 0.099859 -0.046966 0.019732 -0.014683 0.092052 28O 3py 0.119096 0.020254 -0.056168 -0.024410 0.027312 -0.075795 28O 1dz2 -0.003545 0.038254 -0.003710 -0.013065 0.044803 -0.034278 28O 1dxz 0.002530 0.014551 0.004338 -0.001622 0.005631 0.003182 28O 1dyz 0.031757 0.002842 0.019666 0.014107 -0.028871 0.028823 28O 1dx2y2 -0.017661 0.005345 -0.008868 0.002668 0.012398 -0.008109 28O 1dxy -0.005240 0.010361 -0.000898 0.007341 0.025783 -0.014690 28O 2dz2 0.001328 0.009422 -0.005221 -0.009593 -0.009233 0.011221 28O 2dxz 0.003709 -0.000687 -0.028666 0.003357 0.006687 -0.022491 28O 2dyz 0.009953 0.002176 -0.014177 -0.006391 0.011518 -0.005110 28O 2dx2y2 -0.007097 0.005552 0.013989 -0.002202 0.006166 0.007826 28O 2dxy 0.002389 0.000907 -0.007767 -0.002775 -0.017733 0.016438 28O 1f0 -0.103431 0.050263 -0.032675 -0.011076 -0.297126 0.245286 28O 1f+1 -0.090546 0.123334 -0.025324 -0.033561 -0.011316 -0.005224 28O 1f-1 0.063105 0.209522 0.155414 0.058323 0.042892 -0.041869 28O 1f+2 -0.155763 0.164391 -0.045925 -0.037997 -0.072096 0.063799 28O 1f-2 0.119020 0.166076 0.179101 0.083931 -0.070104 0.086548 28O 1f+3 0.131449 -0.128911 0.077623 0.019667 -0.152889 0.135941 28O 1f-3 -0.052386 -0.167302 -0.128233 -0.092608 0.068759 -0.101770 29O 1s -0.000318 -0.000026 0.000156 -0.000672 0.000102 -0.000075 29O 2s -0.000796 -0.000125 0.000733 -0.002434 0.000328 -0.000235 29O 3s 0.002443 0.002048 -0.010806 0.036413 -0.003282 0.001717 29O 4s -0.005090 -0.007956 -0.020039 -0.030156 0.009413 -0.008013 29O 5s 0.081601 0.013466 0.260834 -0.404970 -0.018815 0.039823 29O 1pz 0.006609 0.001271 -0.001568 0.002809 -0.000229 -0.002662 29O 1px -0.004626 0.004132 0.013128 -0.025232 0.000245 0.000456 29O 1py 0.002599 0.000356 0.010006 -0.018711 0.000119 0.000838 29O 2pz -0.021236 -0.004508 -0.007326 0.023529 0.001113 0.006607 29O 2px 0.018005 -0.010006 -0.012995 0.010912 -0.000944 0.002103 29O 2py -0.015292 -0.000027 -0.042775 0.091103 -0.000273 -0.004432 29O 3pz 0.015245 0.013124 0.004466 0.033055 -0.001073 -0.065262 29O 3px 0.001907 0.000335 -0.027588 -0.024473 0.005840 -0.027329 29O 3py -0.032719 -0.005591 -0.098997 0.228736 0.003568 -0.005398 29O 1dz2 -0.006435 -0.002557 -0.038540 0.087308 0.000133 -0.017524 29O 1dxz -0.004045 -0.002492 -0.033155 0.072017 -0.000118 0.025313 29O 1dyz 0.007141 0.001050 0.015650 -0.031828 -0.000281 0.023335 29O 1dx2y2 -0.001187 -0.003080 0.007715 -0.023711 -0.000657 0.014313 29O 1dxy -0.008463 0.004593 -0.021919 0.033357 -0.000089 0.005423 29O 2dz2 -0.000580 0.000729 -0.016484 0.022680 -0.000034 -0.001915 29O 2dxz -0.001673 -0.001909 -0.015883 0.019352 0.000302 0.004476 29O 2dyz 0.005176 0.000502 0.007171 -0.018602 -0.000285 0.006777 29O 2dx2y2 -0.003598 -0.000212 0.007852 0.000696 -0.000373 0.002536 29O 2dxy -0.006581 0.002169 -0.006004 0.017869 -0.000069 0.000919 29O 1f0 0.015238 -0.002731 0.034632 -0.077169 -0.000440 0.020144 29O 1f+1 -0.024164 -0.001248 -0.048276 0.105595 -0.002667 -0.045476 29O 1f-1 0.001390 0.000711 0.038938 -0.072559 -0.000706 0.005896 29O 1f+2 0.024541 -0.005225 0.112006 -0.227399 -0.001077 0.072933 29O 1f-2 0.043106 -0.012873 0.102069 -0.204481 -0.000247 -0.017676 29O 1f+3 0.080972 -0.007294 0.260971 -0.529884 0.000546 -0.025365 29O 1f-3 0.058966 -0.023400 0.067543 -0.141582 -0.000486 0.024251 30O 1s 0.000636 0.000139 -0.000492 -0.001140 0.000078 0.000322 30O 2s 0.002233 0.000748 -0.000534 -0.004515 0.000283 0.001890 30O 3s -0.021742 -0.013206 -0.022403 0.065610 -0.006272 -0.040063 30O 4s 0.058145 0.056042 0.193020 -0.254964 0.032913 0.166652 30O 5s -0.651576 -0.365950 -0.106955 0.022964 -0.001872 0.176279 30O 1pz 0.001996 0.005297 0.011015 0.005141 -0.000090 0.001545 30O 1px 0.002885 0.005132 0.007153 0.009340 -0.002373 -0.004527 30O 1py -0.005544 -0.003945 -0.018434 -0.007839 -0.000277 -0.006341 30O 2pz 0.031281 -0.011585 -0.081347 0.009979 -0.035071 -0.083597 30O 2px -0.027726 -0.015340 0.049035 -0.092534 0.013961 0.075346 30O 2py -0.026396 -0.007254 0.120392 -0.008972 -0.009182 0.046976 30O 3pz -0.022706 0.006800 -0.020656 0.038761 0.033305 -0.018708 30O 3px -0.181205 -0.084311 -0.032080 0.010920 0.003455 0.113019 30O 3py 0.043711 0.102471 0.033935 0.000821 0.019574 0.121720 30O 1dz2 -0.013803 0.026485 0.004221 -0.003537 -0.049738 -0.050901 30O 1dxz -0.015367 -0.000602 0.007116 0.001842 0.007306 0.011891 30O 1dyz 0.033213 -0.000732 -0.012231 -0.017671 0.017856 0.011098 30O 1dx2y2 0.008126 0.026378 -0.006391 0.003969 -0.022959 -0.019789 30O 1dxy 0.019452 0.005126 -0.016280 -0.006662 0.016370 0.007105 30O 2dz2 0.000692 0.007867 -0.006143 0.008497 0.016145 0.010776 30O 2dxz 0.000026 -0.002871 -0.024368 0.005800 -0.019778 -0.040386 30O 2dyz 0.012774 0.001279 -0.005221 0.010691 -0.001532 -0.020128 30O 2dx2y2 0.000152 0.007577 0.011479 0.002682 0.007247 0.016361 30O 2dxy -0.000294 0.004549 0.037749 -0.010612 -0.010430 0.007484 30O 1f0 0.210963 0.027746 -0.181075 -0.039276 0.149979 0.156738 30O 1f+1 0.076884 0.169808 -0.142010 -0.061599 0.018295 -0.012133 30O 1f-1 0.075239 -0.187186 0.085830 -0.005123 -0.249820 -0.244358 30O 1f+2 0.066769 0.125604 -0.099196 -0.036054 -0.084345 -0.097320 30O 1f-2 0.248032 -0.044670 -0.129694 -0.064073 0.004289 -0.004866 30O 1f+3 0.035629 -0.156365 0.038957 -0.014554 0.082307 0.075139 30O 1f-3 -0.168217 -0.015099 0.098283 0.073262 0.156936 0.202128 31O 1s 0.000638 0.000131 -0.000490 0.001178 -0.000084 0.000311 31O 2s 0.002243 0.000714 -0.000523 0.004650 -0.000316 0.001852 31O 3s -0.021879 -0.012621 -0.022512 -0.067279 0.006911 -0.039515 31O 4s 0.058236 0.053765 0.193166 0.260727 -0.035250 0.164431 31O 5s -0.650812 -0.368139 -0.106107 -0.030115 -0.001659 0.176966 31O 1pz -0.002016 -0.005281 -0.011061 0.005284 -0.000008 -0.001666 31O 1px -0.002914 -0.005246 -0.006982 0.009353 -0.002410 0.004429 31O 1py 0.005512 0.003920 0.018319 -0.007801 -0.000354 0.006413 31O 2pz -0.031073 0.011017 0.081593 0.010385 -0.036143 0.083379 31O 2px 0.027797 0.016484 -0.049706 -0.093556 0.014937 -0.074530 31O 2py 0.026337 0.007806 -0.120009 -0.009125 -0.008364 -0.047146 31O 3pz 0.022405 -0.007521 0.018654 0.041966 0.031788 0.018284 31O 3px 0.181080 0.085358 0.032328 0.011238 0.005702 -0.112776 31O 3py -0.044356 -0.101774 -0.032483 -0.003316 0.021490 -0.120846 31O 1dz2 -0.013736 0.026502 0.004244 0.003204 0.050096 -0.050260 31O 1dxz -0.015317 -0.000614 0.007146 -0.001766 -0.007276 0.011703 31O 1dyz 0.033076 -0.000804 -0.012311 0.018305 -0.017968 0.010771 31O 1dx2y2 0.008176 0.026378 -0.006369 -0.004013 0.023085 -0.019496 31O 1dxy 0.019416 0.005088 -0.016151 0.006949 -0.016285 0.006873 31O 2dz2 0.000723 0.007955 -0.006107 -0.008362 -0.016173 0.010671 31O 2dxz -0.000027 -0.002607 -0.024347 -0.006418 0.020243 -0.040110 31O 2dyz 0.012578 0.001426 -0.005389 -0.010578 0.001893 -0.020075 31O 2dx2y2 0.000059 0.007437 0.011437 -0.002183 -0.007383 0.016215 31O 2dxy -0.000195 0.004316 0.037631 0.010881 0.010238 0.007529 31O 1f0 -0.210216 -0.027094 0.180455 -0.040927 0.150984 -0.154477 31O 1f+1 -0.076455 -0.169259 0.141571 -0.062658 0.018130 0.012572 31O 1f-1 -0.074763 0.187189 -0.085649 -0.001919 -0.251146 0.241078 31O 1f+2 -0.066515 -0.125226 0.098940 -0.035688 -0.084995 0.096577 31O 1f-2 -0.247008 0.045457 0.129207 -0.064721 0.004265 0.005296 31O 1f+3 -0.035125 0.156639 -0.039102 -0.015145 0.082740 -0.074339 31O 1f-3 0.167409 0.014464 -0.097917 0.072314 0.158394 -0.200543 32O 1s -0.000305 -0.000022 0.000167 0.000686 -0.000106 -0.000073 32O 2s -0.000758 -0.000109 0.000765 0.002470 -0.000341 -0.000227 32O 3s 0.002085 0.001866 -0.011082 -0.036704 0.003422 0.001656 32O 4s -0.004063 -0.007277 -0.019561 0.030751 -0.009934 -0.007299 32O 5s 0.078838 0.011535 0.260423 0.403665 0.020158 0.036307 32O 1pz -0.006467 -0.001413 0.001756 0.003136 -0.000239 0.002601 32O 1px 0.004868 -0.003964 -0.013125 -0.025143 0.000215 -0.000380 32O 1py -0.002697 -0.000399 -0.010071 -0.018794 0.000117 -0.000599 32O 2pz 0.020402 0.004863 0.006162 0.020928 0.001130 -0.006656 32O 2px -0.018592 0.009751 0.012700 0.010082 -0.000936 -0.002050 32O 2py 0.015509 0.000108 0.043070 0.091583 -0.000264 0.003750 32O 3pz -0.015898 -0.013061 -0.006761 0.028045 -0.002035 0.064960 32O 3px -0.002158 -0.000374 0.026594 -0.026521 0.005742 0.026595 32O 3py 0.031344 0.004497 0.099125 0.228742 0.004439 0.004507 32O 1dz2 -0.006390 -0.002271 -0.039359 -0.088842 -0.000032 -0.017565 32O 1dxz -0.003683 -0.002345 -0.032498 -0.070248 -0.000317 0.025539 32O 1dyz 0.006564 0.001067 0.013894 0.028207 -0.000022 0.023100 32O 1dx2y2 -0.001148 -0.003113 0.007948 0.024050 0.000422 0.013787 32O 1dxy -0.008626 0.004566 -0.022578 -0.034415 0.000076 0.005883 32O 2dz2 -0.000857 0.000841 -0.017067 -0.023815 -0.000035 -0.001835 32O 2dxz -0.001450 -0.001988 -0.015637 -0.018734 -0.000392 0.004556 32O 2dyz 0.004872 0.000626 0.006465 0.017296 0.000183 0.006725 32O 2dx2y2 -0.003566 -0.000303 0.007908 -0.000645 0.000331 0.002504 32O 2dxy -0.006797 0.002137 -0.006388 -0.018593 0.000026 0.001096 32O 1f0 -0.014867 0.002889 -0.031621 -0.071264 -0.000443 -0.017719 32O 1f+1 0.025313 0.000691 0.051646 0.112454 -0.002873 0.043122 32O 1f-1 -0.002914 0.000083 -0.045266 -0.085433 -0.000613 -0.009731 32O 1f+2 -0.024761 0.006396 -0.110049 -0.223645 -0.000336 -0.073382 32O 1f-2 -0.040017 0.012552 -0.094252 -0.187446 -0.000712 0.018221 32O 1f+3 -0.079868 0.008046 -0.263246 -0.531927 -0.000716 0.029782 32O 1f-3 -0.060858 0.022706 -0.071029 -0.148307 -0.000189 -0.020789 33O 1s -0.000207 -0.000344 -0.000025 0.000151 0.000025 0.000317 33O 2s -0.001126 -0.001265 0.000564 0.001019 0.000046 0.001723 33O 3s 0.019074 0.012471 -0.024178 -0.019156 -0.001067 -0.030773 33O 4s -0.074910 -0.030643 0.169553 0.080431 0.003831 0.117533 33O 5s 0.570127 0.367063 -0.234326 0.172833 -0.001380 0.006079 33O 1pz 0.010396 0.000943 -0.012427 0.001362 0.001034 0.000084 33O 1px 0.006721 -0.001569 -0.004570 0.008032 0.000064 -0.000230 33O 1py 0.006045 0.004976 -0.009918 0.007747 -0.000054 -0.002860 33O 2pz -0.003698 0.031070 0.082005 0.020356 0.015517 0.047610 33O 2px -0.026339 -0.012095 -0.030303 -0.065391 0.007230 -0.031932 33O 2py -0.001368 -0.005961 0.037146 -0.028466 -0.024117 -0.013957 33O 3pz -0.062964 -0.069747 0.095816 -0.134763 -0.023749 0.059916 33O 3px -0.104186 -0.099928 0.049306 0.013591 -0.014216 -0.092408 33O 3py -0.118500 -0.020726 0.056653 -0.025058 0.026006 0.076108 33O 1dz2 -0.003580 0.038346 -0.003715 0.013315 -0.044157 -0.034945 33O 1dxz 0.002625 0.014357 0.004394 0.001488 -0.005548 0.003196 33O 1dyz 0.031766 0.002956 0.019533 -0.013905 0.028298 0.029224 33O 1dx2y2 -0.017705 0.005359 -0.008973 -0.002486 -0.012314 -0.008361 33O 1dxy -0.005167 0.010495 -0.000820 -0.007389 -0.025362 -0.014884 33O 2dz2 0.001223 0.009398 -0.005499 0.010110 0.009076 0.011274 33O 2dxz 0.003688 -0.000585 -0.027781 -0.005067 -0.006908 -0.022810 33O 2dyz 0.009855 0.002222 -0.014446 0.006891 -0.011329 -0.005192 33O 2dx2y2 -0.007024 0.005477 0.013571 0.003094 -0.005907 0.007895 33O 2dxy 0.002325 0.000854 -0.007701 0.002470 0.017327 0.016561 33O 1f0 0.103816 -0.050328 0.033095 -0.011104 -0.291999 -0.248829 33O 1f+1 0.090548 -0.123776 0.025282 -0.033517 -0.010560 0.005917 33O 1f-1 -0.063940 -0.210579 -0.155892 0.057936 0.040425 0.040828 33O 1f+2 0.155837 -0.164627 0.046362 -0.038238 -0.070535 -0.064068 33O 1f-2 -0.119765 -0.166633 -0.178894 0.083008 -0.068569 -0.087510 33O 1f+3 -0.131336 0.129560 -0.077517 0.019336 -0.150315 -0.138041 33O 1f-3 0.053238 0.168003 0.128199 -0.091585 0.067219 0.103032 34O 1s 0.000198 0.000496 -0.000239 -0.000315 0.000084 -0.000353 34O 2s 0.000490 0.001871 -0.000133 -0.001816 0.000257 -0.001706 34O 3s 0.002814 -0.024718 -0.015581 0.033577 -0.000528 0.025872 34O 4s -0.022741 0.090924 0.143121 -0.118625 -0.001197 -0.093475 34O 5s -0.693884 -0.387990 -0.276885 -0.295493 -0.010632 0.000815 34O 1pz -0.003167 -0.005489 -0.007160 -0.006576 0.002203 -0.003545 34O 1px 0.005303 -0.004289 -0.000756 0.007882 -0.000902 0.000085 34O 1py 0.004315 0.004501 0.014655 0.009223 0.000846 -0.002309 34O 2pz -0.006884 0.011154 0.027111 0.029003 0.018613 -0.013213 34O 2px -0.099645 0.007656 0.051266 -0.101480 0.002309 -0.040941 34O 2py 0.029497 0.002491 -0.055751 -0.023413 0.019768 -0.012065 34O 3pz 0.144892 0.025973 0.095186 0.087760 -0.020558 0.039454 34O 3px -0.110322 -0.040350 0.005625 0.044363 -0.004204 -0.085758 34O 3py -0.106894 -0.114930 -0.104995 -0.070770 -0.021462 0.077637 34O 1dz2 -0.011016 0.020437 -0.005418 -0.009826 -0.020282 0.018885 34O 1dxz -0.019354 0.009071 -0.005403 -0.012415 -0.041849 0.041724 34O 1dyz 0.032834 0.000396 -0.006641 -0.004925 0.018752 -0.012578 34O 1dx2y2 0.010868 0.027880 -0.019215 -0.004670 -0.026431 0.029491 34O 1dxy 0.011673 0.015565 -0.008454 0.004528 -0.022582 0.018406 34O 2dz2 0.011647 0.004660 -0.009570 0.012859 -0.004261 0.013633 34O 2dxz -0.003857 -0.002509 -0.001683 -0.003397 0.020402 -0.018734 34O 2dyz 0.007695 0.005375 0.017548 0.011412 -0.002851 0.007781 34O 2dx2y2 -0.016694 0.013291 0.024834 -0.015418 0.004527 -0.016810 34O 2dxy 0.018865 0.004340 0.000698 0.014670 0.015031 -0.008976 34O 1f0 -0.185972 -0.207095 0.228872 0.126708 0.049742 -0.063730 34O 1f+1 -0.040691 0.002370 0.000936 -0.004322 -0.215576 0.231765 34O 1f-1 -0.232316 0.211745 0.067216 0.024578 0.118435 -0.107202 34O 1f+2 -0.193856 -0.109603 0.180073 0.065908 -0.033942 0.037815 34O 1f-2 0.036958 0.067017 -0.017092 -0.035908 0.140947 -0.119970 34O 1f+3 0.019417 -0.038686 0.033072 -0.005309 0.179364 -0.198435 34O 1f-3 0.047823 -0.087127 -0.005783 -0.017962 -0.089344 0.101108 35O 1s -0.000832 -0.000247 -0.000605 -0.000854 -0.000206 -0.000491 35O 2s -0.003201 -0.000730 -0.000800 -0.003445 -0.000751 -0.002501 35O 3s 0.041170 0.003666 -0.021485 0.053673 0.007800 0.043310 35O 4s -0.144097 -0.004757 0.189299 -0.217441 -0.018084 -0.152586 35O 5s 0.614986 0.414220 -0.049929 -0.013112 -0.018072 -0.192421 35O 1pz 0.006792 0.003593 -0.018467 -0.010968 0.000304 0.001799 35O 1px 0.001325 -0.002513 -0.004838 -0.000974 0.002092 0.005740 35O 1py 0.004249 0.002225 -0.012044 -0.005454 0.002618 0.006338 35O 2pz 0.001728 0.012604 0.072547 0.044410 -0.018362 -0.029812 35O 2px 0.001424 0.049090 0.112476 -0.065876 -0.017972 -0.099912 35O 2py 0.007552 0.015479 0.090609 -0.010564 0.017237 -0.025753 35O 3pz -0.156799 -0.106074 0.044532 -0.051460 0.014707 -0.005552 35O 3px 0.065010 0.059698 0.003910 -0.044066 -0.004746 -0.149179 35O 3py -0.107020 0.017371 0.038910 0.001479 -0.026046 -0.124670 35O 1dz2 0.003178 0.034295 0.015209 0.011462 0.024919 0.014232 35O 1dxz 0.001405 0.018729 0.003819 -0.001073 0.028709 0.030856 35O 1dyz 0.029787 0.008739 0.017024 0.010986 -0.005687 -0.010998 35O 1dx2y2 -0.020510 0.008944 -0.005496 0.008183 0.039477 0.032761 35O 1dxy 0.004648 -0.002018 -0.005138 0.007240 -0.023541 -0.017624 35O 2dz2 0.006876 0.000696 -0.030475 0.008238 0.001738 0.015440 35O 2dxz 0.002485 0.007127 0.006165 0.001074 -0.014938 -0.015888 35O 2dyz 0.012999 0.003911 -0.009652 -0.004287 -0.005685 -0.011648 35O 2dx2y2 -0.010154 0.009871 0.024411 -0.004921 -0.017442 -0.037566 35O 2dxy -0.001958 0.010425 0.029637 -0.013684 0.015805 -0.008502 35O 1f0 0.152223 -0.219467 0.032598 -0.006280 0.075721 0.049087 35O 1f+1 0.120918 0.074194 0.157704 0.048615 0.198018 0.156728 35O 1f-1 -0.242759 -0.184911 -0.265604 -0.096087 0.077820 0.083997 35O 1f+2 0.067900 -0.102387 0.023196 -0.040673 0.163301 0.171267 35O 1f-2 0.092544 -0.060869 0.033451 0.019054 -0.066488 -0.086487 35O 1f+3 -0.034544 -0.071953 -0.069746 -0.030759 -0.112031 -0.088354 35O 1f-3 0.009305 0.054112 0.028619 0.012966 -0.129554 -0.124159 636 637 638 639 640 641 5.31587 5.38915 5.40448 5.40826 5.43750 5.44443 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s 0.000261 0.000087 0.000691 0.000337 0.000182 -0.000026 0Rh 2s -0.001967 -0.000769 -0.005168 -0.002726 -0.001437 0.000165 0Rh 3s 0.000402 0.000067 0.001102 0.000415 0.000248 -0.000056 0Rh 4s 0.011840 0.004649 0.031580 0.016604 0.008723 -0.001011 0Rh 5s -0.029578 -0.012517 -0.082484 -0.044384 -0.022647 0.002481 0Rh 6s 0.030095 0.016335 0.094939 0.055999 0.025678 -0.002528 0Rh 7s -0.096083 -0.017850 -0.206146 -0.064209 -0.044005 0.020711 0Rh 8s 0.033514 0.049560 0.070071 0.146703 -0.023492 -0.013202 0Rh 1pz -0.003579 0.002848 0.005543 0.002923 0.017046 -0.006699 0Rh 1px 0.006577 -0.002009 -0.015259 -0.008396 0.005945 -0.005762 0Rh 1py -0.020760 -0.001736 -0.002408 -0.005455 -0.000047 0.000205 0Rh 2pz 0.014739 -0.011705 -0.022830 -0.012069 -0.070075 0.027425 0Rh 2px -0.027035 0.008330 0.062879 0.034650 -0.024506 0.023693 0Rh 2py 0.085508 0.007114 0.009861 0.022411 0.000180 -0.000827 0Rh 3pz -0.045614 0.035550 0.070379 0.037636 0.213538 -0.081491 0Rh 3px 0.082770 -0.026628 -0.194306 -0.107760 0.076002 -0.072362 0Rh 3py -0.265072 -0.021302 -0.029478 -0.068238 -0.000283 0.002209 0Rh 4pz 0.056335 -0.040708 -0.083974 -0.045328 -0.249288 0.089554 0Rh 4px -0.099930 0.033814 0.233039 0.128966 -0.092508 0.085482 0Rh 4py 0.327558 0.023942 0.033496 0.080229 -0.000345 -0.001640 0Rh 5pz -0.035829 0.013201 0.035426 0.015991 0.099768 -0.020552 0Rh 5px 0.062130 -0.013575 -0.100143 -0.044169 0.041356 -0.039189 0Rh 5py -0.189436 -0.007544 -0.012758 -0.033515 0.001074 -0.001850 0Rh 6pz 0.148696 0.064490 0.059884 0.129889 0.353270 -0.594428 0Rh 6px -0.225347 -0.125151 -0.127710 -0.351053 0.199662 -0.140424 0Rh 6py 0.564877 -0.070402 -0.168338 -0.172213 -0.015443 0.035988 0Rh 1dz2 -0.001688 -0.008234 0.001526 0.004090 0.004260 -0.002945 0Rh 1dxz -0.004227 -0.003578 0.002003 0.002500 -0.010230 0.008168 0Rh 1dyz 0.001032 0.004405 -0.002792 -0.004469 -0.006709 0.005317 0Rh 1dx2y2 0.007597 -0.006961 -0.001700 0.000841 -0.002546 0.002117 0Rh 1dxy 0.000044 0.001945 0.008298 0.008086 -0.001222 0.000687 0Rh 2dz2 0.000064 -0.002112 -0.000255 0.000650 -0.001256 0.000943 0Rh 2dxz 0.000438 -0.000836 -0.000415 0.000328 0.002151 -0.001592 0Rh 2dyz -0.000254 0.001088 0.000513 0.000445 0.000712 -0.000291 0Rh 2dx2y2 -0.000687 -0.001674 0.000393 0.000226 0.000874 -0.000400 0Rh 2dxy -0.000394 -0.000753 -0.001319 -0.001614 0.000134 0.000147 0Rh 3dz2 0.007678 0.049017 -0.005990 -0.022525 -0.014409 0.009598 0Rh 3dxz 0.017941 0.020942 -0.007457 -0.013383 0.039074 -0.031760 0Rh 3dyz -0.003706 -0.026030 0.010948 0.019240 0.029096 -0.024436 0Rh 3dx2y2 -0.032658 0.040883 0.006016 -0.005204 0.008071 -0.008320 0Rh 3dxy 0.001655 -0.005767 -0.033603 -0.031133 0.005306 -0.004097 0Rh 4dz2 -0.014971 -0.105171 0.009619 0.046857 0.021637 -0.013647 0Rh 4dxz -0.033543 -0.044869 0.010943 0.026648 -0.069445 0.056171 0Rh 4dyz 0.006207 0.055862 -0.019462 -0.035813 -0.057721 0.050425 0Rh 4dx2y2 0.061158 -0.087192 -0.007306 0.012889 -0.011423 0.015066 0Rh 4dxy -0.005003 0.008220 0.062294 0.055140 -0.010616 0.009949 0Rh 5dz2 0.020893 0.157383 -0.004010 -0.066765 -0.002969 -0.007448 0Rh 5dxz 0.041996 0.067798 0.003465 -0.030697 0.077335 -0.043011 0Rh 5dyz -0.003691 -0.085625 0.017402 0.039457 0.082604 -0.076634 0Rh 5dx2y2 -0.075484 0.132584 -0.013010 -0.028823 -0.007294 -0.011789 0Rh 5dxy 0.010597 -0.003052 -0.073474 -0.058217 0.012537 -0.020337 0Rh 1f0 -0.009080 -0.000450 -0.002534 -0.005417 -0.000461 -0.000509 0Rh 1f+1 0.001940 0.000134 0.001262 0.003018 0.002599 -0.006212 0Rh 1f-1 -0.006104 -0.001392 -0.000890 -0.000244 0.004493 -0.002099 0Rh 1f+2 -0.001499 0.001445 0.004712 0.004830 -0.007961 0.003909 0Rh 1f-2 -0.000267 0.001081 -0.001799 -0.000198 -0.000966 0.000688 0Rh 1f+3 0.001018 0.004249 0.006760 0.006553 0.002461 -0.004377 0Rh 1f-3 0.012944 0.000903 -0.003809 0.000922 -0.001571 -0.000662 1Rh 1s 0.000251 -0.000081 0.000680 -0.000363 -0.000185 -0.000035 1Rh 2s -0.001903 0.000725 -0.005077 0.002921 0.001459 0.000238 1Rh 3s 0.000384 -0.000058 0.001088 -0.000457 -0.000252 -0.000070 1Rh 4s 0.011450 -0.004379 0.031025 -0.017802 -0.008858 -0.001455 1Rh 5s -0.028584 0.011813 -0.080995 0.047518 0.023002 0.003647 1Rh 6s 0.029037 -0.015524 0.093031 -0.059619 -0.026090 -0.003899 1Rh 7s -0.094729 0.016219 -0.204978 0.071777 0.045039 0.023904 1Rh 8s 0.034605 -0.049637 0.064564 -0.150538 0.022654 -0.014558 1Rh 1pz 0.003579 0.002642 -0.005583 0.003374 0.017044 0.007089 1Rh 1px -0.006651 -0.001885 0.014813 -0.008924 0.005857 0.005767 1Rh 1py 0.020823 -0.001865 0.002275 -0.005579 0.000149 0.000229 1Rh 2pz -0.014738 -0.010859 0.022994 -0.013923 -0.070069 -0.029029 1Rh 2px 0.027338 0.007817 -0.061040 0.036831 -0.024146 -0.023714 1Rh 2py -0.085766 0.007641 -0.009315 0.022922 -0.000626 -0.000961 1Rh 3pz 0.045591 0.032998 -0.070841 0.043290 0.213550 0.086399 1Rh 3px -0.083642 -0.025048 0.188633 -0.114572 0.074891 0.072419 1Rh 3py 0.265847 -0.022893 0.027820 -0.069769 0.002118 0.003256 1Rh 4pz -0.056251 -0.037790 0.084472 -0.051964 -0.249370 -0.095332 1Rh 4px 0.100794 0.031931 -0.226367 0.137342 -0.091159 -0.085528 1Rh 4py -0.328415 0.025759 -0.031541 0.081971 -0.003004 -0.004773 1Rh 5pz 0.035640 0.012049 -0.035830 0.018835 0.099990 0.022987 1Rh 5px -0.062253 -0.012794 0.098026 -0.048183 0.040776 0.039088 1Rh 5py 0.189623 -0.008246 0.011924 -0.034129 0.001750 0.004430 1Rh 6pz -0.147884 0.067703 -0.060109 0.136404 0.345492 0.601334 1Rh 6px 0.225702 -0.122718 0.106021 -0.351779 0.193901 0.144900 1Rh 6py -0.560842 -0.069934 0.163478 -0.183893 0.000980 -0.026403 1Rh 1dz2 -0.001692 0.008176 0.001464 -0.004288 -0.004249 -0.003106 1Rh 1dxz -0.004145 0.003657 0.001691 -0.002479 0.010123 0.008380 1Rh 1dyz 0.001048 -0.004471 -0.002319 0.004353 0.006540 0.005355 1Rh 1dx2y2 0.007571 0.006950 -0.001833 -0.000725 0.002396 0.002049 1Rh 1dxy 0.000065 -0.001884 0.008067 -0.008525 0.001377 0.000920 1Rh 2dz2 0.000083 0.002120 -0.000320 -0.000623 0.001246 0.000972 1Rh 2dxz 0.000441 0.000826 -0.000403 -0.000334 -0.002132 -0.001643 1Rh 2dyz -0.000234 -0.001073 0.000494 -0.000453 -0.000699 -0.000287 1Rh 2dx2y2 -0.000694 0.001676 0.000385 -0.000251 -0.000849 -0.000398 1Rh 2dxy -0.000394 0.000751 -0.001263 0.001678 -0.000172 0.000094 1Rh 3dz2 0.007603 -0.048778 -0.005404 0.023344 0.014404 0.010232 1Rh 3dxz 0.017539 -0.021277 -0.006026 0.013307 -0.038648 -0.032541 1Rh 3dyz -0.003876 0.026275 0.008766 -0.018640 -0.028342 -0.024640 1Rh 3dx2y2 -0.032498 -0.040845 0.006689 0.004778 -0.007466 -0.007998 1Rh 3dxy 0.001555 0.005478 -0.032767 0.032946 -0.005869 -0.004967 1Rh 4dz2 -0.014689 0.104717 0.008293 -0.048374 -0.021700 -0.014761 1Rh 4dxz -0.032724 0.045480 0.008202 -0.026435 0.068698 0.057544 1Rh 4dyz 0.006687 -0.056303 -0.015041 0.034424 0.056206 0.050882 1Rh 4dx2y2 0.060777 0.087145 -0.008705 -0.012305 0.010296 0.014378 1Rh 4dxy -0.004794 -0.007645 0.060954 -0.058589 0.011541 0.011456 1Rh 5dz2 0.019769 -0.156779 -0.002417 0.068740 0.003412 -0.006566 1Rh 5dxz 0.040631 -0.068440 0.006938 0.029834 -0.076859 -0.044667 1Rh 5dyz -0.005148 0.086193 0.010221 -0.036053 -0.080533 -0.077482 1Rh 5dx2y2 -0.074407 -0.132631 -0.011006 0.029377 0.008524 -0.010323 1Rh 5dxy 0.010193 0.002314 -0.073029 0.062865 -0.012843 -0.021665 1Rh 1f0 0.009115 -0.000425 0.002356 -0.005531 -0.000461 0.000573 1Rh 1f+1 -0.001971 0.000220 -0.001267 0.003183 0.002535 0.006307 1Rh 1f-1 0.006153 -0.001269 0.000895 -0.000360 0.004521 0.002322 1Rh 1f+2 0.001493 0.001280 -0.004313 0.004975 -0.007840 -0.004014 1Rh 1f-2 0.000291 0.001127 0.001722 -0.000243 -0.000840 -0.000589 1Rh 1f+3 -0.001068 0.004246 -0.006580 0.006875 0.002367 0.004375 1Rh 1f-3 -0.012955 0.000971 0.003928 0.000716 -0.001438 0.000706 2C 1s 0.000483 0.000239 -0.000011 -0.000245 0.001275 0.000288 2C 2s 0.000369 0.000224 0.000093 -0.000431 0.001897 -0.000120 2C 3s 0.019197 0.014500 -0.019281 0.011359 -0.008432 0.037397 2C 4s -0.093625 -0.083108 0.125548 -0.052466 -0.003811 -0.155279 2C 5s -0.026886 0.041540 -0.159987 0.122608 -0.032734 0.208074 2C 1pz 0.000476 0.000667 -0.001648 0.004032 -0.007691 0.001836 2C 1px 0.002090 0.000209 0.000026 -0.000000 -0.001220 0.004820 2C 1py 0.001023 0.001930 -0.001556 0.000415 -0.005279 0.003181 2C 2pz 0.030750 0.012319 0.075296 -0.057601 -0.004156 -0.038204 2C 2px -0.011497 -0.020214 0.012343 -0.019274 -0.001107 -0.034245 2C 2py -0.082439 -0.115006 0.060112 0.009813 0.007208 -0.047145 2C 3pz -0.053583 -0.040479 -0.029758 0.041236 0.008133 0.015243 2C 3px -0.016234 0.027103 -0.011679 0.013478 -0.018633 0.014071 2C 3py 0.038751 0.065302 -0.035954 -0.006676 0.000227 0.040584 2C 1dz2 -0.000218 -0.003010 -0.000798 0.000909 -0.013590 -0.003244 2C 1dxz -0.012830 -0.011259 0.005165 -0.002386 -0.003293 -0.000218 2C 1dyz -0.001651 -0.003773 0.003437 0.002844 -0.011578 -0.004178 2C 1dx2y2 -0.005529 -0.007428 -0.001814 0.002146 0.000287 -0.000437 2C 1dxy 0.005366 0.008241 0.002205 -0.005974 -0.002183 0.001965 2C 2dz2 -0.048340 -0.060143 0.016371 0.004409 -0.004709 -0.015181 2C 2dxz -0.044056 -0.018887 0.014011 0.002800 -0.017375 -0.001512 2C 2dyz 0.025681 0.002151 0.019489 -0.021739 0.009337 -0.020360 2C 2dx2y2 -0.028574 -0.030676 -0.011331 0.005592 0.000605 -0.011103 2C 2dxy 0.016302 0.035228 0.011307 -0.016495 0.003585 -0.006625 2C 1f0 -0.038356 -0.044447 -0.003720 0.013992 -0.012319 -0.008768 2C 1f+1 0.029381 0.031180 -0.004044 -0.013937 -0.012195 0.002763 2C 1f-1 0.026387 0.022719 -0.001192 -0.007413 -0.011814 -0.001961 2C 1f+2 0.018129 0.018198 -0.000730 -0.009998 0.003862 0.014089 2C 1f-2 -0.061167 -0.037292 0.009294 0.008161 -0.003889 -0.017779 2C 1f+3 -0.060018 -0.051976 0.008559 0.011992 -0.000302 -0.004829 2C 1f-3 -0.000826 -0.007888 -0.001310 0.005411 0.000830 0.000848 3C 1s -0.000038 0.000038 -0.000218 0.000039 0.000950 -0.000055 3C 2s -0.000030 0.000077 -0.000044 0.000422 0.001190 0.000176 3C 3s -0.015995 -0.004536 -0.032060 -0.033458 0.005809 -0.021952 3C 4s 0.074272 0.038385 0.196124 0.172424 -0.055123 0.094897 3C 5s -0.045105 -0.083433 -0.162744 -0.188471 0.081068 -0.051978 3C 1pz 0.000863 -0.001017 -0.000575 -0.001059 -0.000368 -0.003802 3C 1px -0.005142 -0.000021 -0.002144 -0.003299 -0.004212 0.001955 3C 1py 0.001184 -0.000652 0.003404 0.004685 0.007316 0.004192 3C 2pz -0.038104 0.061168 0.059631 0.027545 -0.033839 0.048932 3C 2px -0.000432 0.052475 0.042516 0.016777 0.009271 0.011589 3C 2py -0.051240 0.033647 -0.109890 -0.103340 0.000003 -0.051549 3C 3pz 0.006815 -0.031280 -0.023440 -0.006645 0.028132 -0.018759 3C 3px 0.070810 -0.074048 -0.018582 0.011677 -0.002170 -0.008404 3C 3py 0.043980 -0.022842 0.031626 0.043423 -0.005738 -0.008471 3C 1dz2 -0.002690 0.003407 0.000303 0.002252 -0.001392 -0.001688 3C 1dxz 0.010863 -0.011184 -0.001757 0.002618 -0.006037 0.000948 3C 1dyz -0.000477 0.004218 -0.005710 -0.004295 0.012697 -0.000915 3C 1dx2y2 0.005071 -0.005512 -0.006361 -0.000139 0.001793 -0.002211 3C 1dxy 0.002544 -0.005157 0.000396 0.004671 0.007090 -0.005228 3C 2dz2 -0.004231 -0.004697 -0.012916 -0.006843 -0.014735 -0.006540 3C 2dxz 0.051723 -0.041656 0.001407 0.018969 -0.012190 0.002835 3C 2dyz -0.004455 0.008471 -0.029592 -0.038578 0.004941 -0.018022 3C 2dx2y2 0.068555 -0.060591 -0.027401 0.005722 0.002783 -0.028750 3C 2dxy -0.051237 0.023369 -0.014902 -0.018416 -0.005753 0.002713 3C 1f0 0.043481 -0.042005 -0.005933 0.013910 0.001697 -0.015797 3C 1f+1 -0.034732 0.031098 0.000682 -0.006679 -0.009779 0.008183 3C 1f-1 -0.020821 0.031388 0.003527 -0.012516 0.009122 0.004299 3C 1f+2 -0.014126 0.018566 -0.007688 -0.014977 0.010983 0.000249 3C 1f-2 0.012728 -0.025403 -0.002326 0.004733 0.014093 -0.005217 3C 1f+3 0.060446 -0.051178 -0.005718 0.013480 -0.006236 -0.009042 3C 1f-3 0.026602 -0.012121 -0.006699 0.000481 -0.001089 -0.004257 4C 1s 0.000074 -0.000185 -0.000463 -0.000217 -0.001679 -0.000479 4C 2s 0.000322 0.000029 -0.001318 -0.000022 -0.003468 -0.000244 4C 3s -0.023638 -0.022846 0.033503 -0.028871 0.046808 -0.093173 4C 4s 0.130723 0.109952 -0.128260 0.141046 -0.137682 0.450706 4C 5s 0.041879 0.008260 0.033569 -0.064290 0.084493 0.068165 4C 1pz 0.005588 0.002593 -0.008192 0.004615 0.003302 0.001309 4C 1px -0.023014 -0.002709 0.002325 -0.002659 0.011854 -0.006431 4C 1py -0.001335 0.002959 -0.003588 0.001495 0.008239 -0.000851 4C 2pz -0.070406 -0.019918 0.058827 -0.000265 0.004406 -0.033743 4C 2px 0.238263 -0.028627 0.097332 -0.054143 -0.151970 0.209165 4C 2py 0.017844 -0.043108 0.068567 -0.019468 -0.069001 0.055632 4C 3pz -0.068075 0.057888 -0.116094 0.094244 -0.021217 0.175792 4C 3px 0.115184 -0.009888 -0.034715 0.004469 -0.030747 -0.088681 4C 3py -0.033178 -0.002449 -0.076637 0.064861 -0.038699 0.066018 4C 1dz2 0.022483 0.018736 0.004149 -0.007359 0.023948 -0.003027 4C 1dxz -0.021720 -0.028599 0.012356 0.000988 0.010842 0.004143 4C 1dyz -0.015819 -0.019685 0.007640 0.001055 0.018232 0.006198 4C 1dx2y2 -0.040754 -0.032109 -0.005912 0.019421 -0.017971 0.006077 4C 1dxy 0.059673 0.049621 0.004680 -0.013763 -0.007402 0.005778 4C 2dz2 -0.027644 0.013279 -0.055654 0.017773 -0.000841 -0.045537 4C 2dxz 0.017268 -0.023992 0.024613 -0.031389 -0.048398 0.017200 4C 2dyz 0.007060 0.020503 -0.040486 0.034738 -0.013176 0.028537 4C 2dx2y2 -0.015767 -0.025703 0.021856 0.009820 -0.013669 0.058392 4C 2dxy 0.044167 0.023840 0.011451 -0.020169 -0.043035 0.110781 4C 1f0 -0.066559 -0.052456 0.016059 0.011126 0.009116 -0.014024 4C 1f+1 0.069880 0.043986 -0.012293 -0.004238 -0.008519 -0.013256 4C 1f-1 0.020933 0.026520 0.000709 -0.004783 -0.022589 -0.014219 4C 1f+2 0.028303 0.036765 -0.009123 0.005853 0.027625 -0.002316 4C 1f-2 -0.014279 -0.031396 0.003390 0.009441 -0.018207 0.008190 4C 1f+3 -0.086088 -0.057173 0.001109 0.036262 0.006214 -0.034894 4C 1f-3 -0.041204 -0.019030 -0.010579 0.004809 -0.017897 -0.047119 5C 1s 0.000287 -0.000464 -0.000548 0.000073 -0.001229 0.000179 5C 2s 0.000423 -0.000796 -0.001510 -0.000404 -0.002458 -0.000148 5C 3s 0.007874 -0.005913 0.048534 0.037501 0.024509 0.076864 5C 4s -0.012756 0.045859 -0.188916 -0.165052 -0.052068 -0.382584 5C 5s 0.015083 0.092904 0.053640 0.105808 0.034910 -0.126128 5C 1pz -0.008764 -0.001625 -0.003245 -0.002015 0.004133 0.000220 5C 1px 0.027598 -0.004398 -0.010499 -0.005373 -0.003831 -0.004685 5C 1py 0.006634 0.001925 0.006574 0.005860 -0.007871 0.000285 5C 2pz 0.081701 0.038838 0.086002 0.047209 -0.038140 -0.053700 5C 2px -0.241678 -0.000460 -0.002230 0.012171 0.063665 0.141906 5C 2py -0.071815 -0.039740 -0.117351 -0.085536 0.069793 0.041131 5C 3pz 0.020463 -0.007964 -0.064036 -0.063324 -0.000369 -0.017880 5C 3px -0.170571 0.022070 0.008002 -0.056006 0.030214 -0.104131 5C 3py -0.008709 0.038277 0.104416 0.093207 0.007387 0.062125 5C 1dz2 -0.023804 0.027942 0.002983 -0.005394 0.006911 0.000187 5C 1dxz 0.047217 -0.047210 0.004801 0.019849 0.015433 0.005544 5C 1dyz -0.005902 -0.001844 -0.008682 -0.004261 -0.013220 0.006278 5C 1dx2y2 -0.003112 -0.009833 -0.010825 -0.009423 -0.015408 0.002266 5C 1dxy 0.038705 -0.041408 -0.000007 0.006708 -0.011682 -0.001394 5C 2dz2 0.006303 0.010209 0.019744 0.018323 -0.028868 0.035123 5C 2dxz 0.014969 -0.062946 -0.040853 -0.005520 0.008138 0.023140 5C 2dyz 0.010735 -0.008626 0.041854 0.038359 0.036825 0.064340 5C 2dx2y2 0.016131 -0.006084 0.013846 0.027055 0.010820 -0.017862 5C 2dxy 0.019304 0.026339 0.057722 0.047146 -0.026251 -0.060128 5C 1f0 0.043196 -0.054221 -0.019103 0.005632 0.017703 0.009682 5C 1f+1 -0.031183 0.043369 0.011025 -0.012495 0.008429 0.004618 5C 1f-1 -0.044370 0.028250 -0.002164 -0.006154 -0.011275 0.013393 5C 1f+2 -0.034995 0.028578 0.005570 0.004044 0.004817 -0.006029 5C 1f-2 0.065320 -0.029886 -0.002208 0.014360 0.008106 -0.042584 5C 1f+3 0.066066 -0.061756 0.009660 0.029289 -0.020109 -0.016521 5C 1f-3 -0.008566 -0.003270 0.010993 0.005767 0.031478 -0.017106 6C 1s 0.000277 0.000468 -0.000588 -0.000024 0.001227 0.000152 6C 2s 0.000417 0.000799 -0.001542 0.000518 0.002472 -0.000197 6C 3s 0.006150 0.006184 0.044396 -0.041488 -0.027098 0.077364 6C 4s -0.003935 -0.047205 -0.167791 0.180835 0.064400 -0.383913 6C 5s 0.017846 -0.092361 0.054525 -0.109820 -0.031108 -0.125378 6C 1pz 0.008724 -0.001621 0.003278 -0.002202 0.004165 -0.000374 6C 1px -0.027610 -0.004440 0.010291 -0.006138 -0.003997 0.004810 6C 1py -0.006718 0.001858 -0.006501 0.006357 -0.007921 -0.000149 6C 2pz -0.082368 0.038467 -0.085334 0.052398 -0.041047 0.055373 6C 2px 0.241419 0.001484 -0.003588 0.018312 0.070846 -0.143996 6C 2py 0.073727 -0.039255 0.117349 -0.094872 0.072113 -0.041937 6C 3pz -0.021763 -0.006502 0.059580 -0.063275 -0.000607 0.018319 6C 3px 0.170204 0.023284 -0.011821 -0.050634 0.024248 0.103645 6C 3py 0.011770 0.036458 -0.097693 0.093146 0.009826 -0.061976 6C 1dz2 -0.024247 -0.027927 0.003201 0.005470 -0.006933 0.000016 6C 1dxz 0.047646 0.047371 0.003727 -0.020058 -0.015641 0.005554 6C 1dyz -0.005984 0.001724 -0.008781 0.004411 0.013047 0.006252 6C 1dx2y2 -0.002893 0.009708 -0.010391 0.009459 0.015405 0.001948 6C 1dxy 0.039042 0.041539 -0.001138 -0.006675 0.011852 -0.001617 6C 2dz2 0.006136 -0.009371 0.016688 -0.019051 0.028685 0.035666 6C 2dxz 0.013782 0.062494 -0.042590 0.007402 -0.010605 0.023530 6C 2dyz 0.009369 0.008255 0.040540 -0.042511 -0.039533 0.064405 6C 2dx2y2 0.017540 0.005426 0.016584 -0.030278 -0.011173 -0.017098 6C 2dxy 0.020445 -0.025490 0.055882 -0.049470 0.029133 -0.060875 6C 1f0 -0.043460 -0.054155 0.019658 0.004439 0.018683 -0.009480 6C 1f+1 0.032041 0.043221 -0.011113 -0.011959 0.008049 -0.003869 6C 1f-1 0.044482 0.028186 0.001546 -0.006429 -0.011136 -0.014212 6C 1f+2 0.035116 0.028496 -0.005303 0.003858 0.004217 0.005534 6C 1f-2 -0.066006 -0.029958 0.002815 0.014059 0.006785 0.042381 6C 1f+3 -0.066340 -0.061798 -0.006802 0.030304 -0.020327 0.016740 6C 1f-3 0.008297 -0.003220 -0.011459 0.005977 0.031050 0.017548 7C 1s 0.000076 0.000178 -0.000465 0.000204 0.001696 -0.000412 7C 2s 0.000340 -0.000041 -0.001330 0.000021 0.003483 -0.000118 7C 3s -0.025587 0.022922 0.033307 0.028196 -0.044643 -0.093744 7C 4s 0.139891 -0.109791 -0.126563 -0.136855 0.126635 0.449843 7C 5s 0.040165 -0.006447 0.040720 0.069901 -0.085259 0.064814 7C 1pz -0.005547 0.002819 0.008749 0.004854 0.003297 -0.001131 7C 1px 0.023027 -0.003165 -0.002768 -0.002522 0.011854 0.006819 7C 1py 0.001278 0.002977 0.003760 0.001669 0.008317 0.001093 7C 2pz 0.068921 -0.021792 -0.066758 -0.008408 0.004438 0.034061 7C 2px -0.236177 -0.027940 -0.088900 -0.049473 -0.150801 -0.213705 7C 2py -0.017076 -0.044489 -0.070271 -0.022388 -0.068879 -0.056775 7C 3pz 0.066728 0.056861 0.118722 0.084800 -0.017194 -0.174343 7C 3px -0.116492 -0.007092 0.036346 0.002012 -0.029392 0.087673 7C 3py 0.033117 -0.002202 0.080570 0.059682 -0.036375 -0.065953 7C 1dz2 0.022617 -0.018775 0.005022 0.007122 -0.023922 -0.003752 7C 1dxz -0.022266 0.028863 0.011607 -0.001937 -0.010897 0.003750 7C 1dyz -0.015968 0.019744 0.007725 -0.001456 -0.018500 0.005383 7C 1dx2y2 -0.040812 0.032228 -0.007014 -0.018865 0.017985 0.006664 7C 1dxy 0.060142 -0.049572 0.005344 0.013674 0.007319 0.006023 7C 2dz2 -0.027423 -0.014328 -0.055981 -0.017257 0.001317 -0.045724 7C 2dxz 0.014938 0.025235 0.020747 0.026246 0.048951 0.018415 7C 2dyz 0.008138 -0.021380 -0.042883 -0.035989 0.012607 0.029211 7C 2dx2y2 -0.015383 0.026497 0.023041 -0.007982 0.012524 0.057223 7C 2dxy 0.043518 -0.022334 0.010929 0.018793 0.040775 0.111675 7C 1f0 0.066925 -0.052750 -0.014911 0.011857 0.008498 0.013512 7C 1f+1 -0.070299 0.044658 0.012121 -0.005011 -0.008607 0.012179 7C 1f-1 -0.021038 0.026072 -0.001521 -0.005532 -0.022337 0.013344 7C 1f+2 -0.028985 0.036695 0.008185 0.005671 0.028423 0.003234 7C 1f-2 0.014303 -0.030668 -0.002324 0.009062 -0.018642 -0.008678 7C 1f+3 0.086363 -0.057217 0.000150 0.036526 0.005688 0.034965 7C 1f-3 0.041506 -0.019273 0.010889 0.004877 -0.018521 0.046819 8C 1s -0.000041 -0.000037 -0.000212 -0.000004 -0.000952 -0.000037 8C 2s -0.000033 -0.000074 -0.000060 -0.000402 -0.001198 0.000202 8C 3s -0.015965 0.004374 -0.030343 0.036409 -0.005233 -0.021906 8C 4s 0.074576 -0.037779 0.189160 -0.190305 0.052806 0.094134 8C 5s -0.043587 0.080627 -0.151399 0.192836 -0.078595 -0.052335 8C 1pz -0.000847 -0.001033 0.000539 -0.001130 -0.000465 0.003881 8C 1px 0.005059 -0.000045 0.001911 -0.003571 -0.004167 -0.001913 8C 1py -0.001133 -0.000692 -0.003245 0.004918 0.007417 -0.004198 8C 2pz 0.039289 0.062939 -0.059463 0.032433 -0.032881 -0.049672 8C 2px 0.001035 0.051985 -0.041954 0.021531 0.009701 -0.011925 8C 2py 0.051508 0.034581 0.106549 -0.112901 -0.001626 0.050861 8C 3pz -0.008365 -0.032304 0.022321 -0.007077 0.027342 0.019248 8C 3px -0.070635 -0.072962 0.019877 0.010608 -0.001712 0.008315 8C 3py -0.044117 -0.023832 -0.029070 0.043700 -0.005304 0.008796 8C 1dz2 -0.002615 -0.003328 0.000173 -0.002227 0.001475 -0.001450 8C 1dxz 0.011054 0.011285 -0.001854 -0.002682 0.005941 0.000935 8C 1dyz -0.000483 -0.004261 -0.005340 0.004942 -0.012654 -0.000950 8C 1dx2y2 0.005211 0.005590 -0.006241 0.000636 -0.001732 -0.002029 8C 1dxy 0.002625 0.005239 0.000063 -0.004541 -0.006965 -0.005159 8C 2dz2 -0.003092 0.005348 -0.012837 0.007599 0.014987 -0.006310 8C 2dxz 0.052442 0.042069 0.000611 -0.019856 0.011964 0.002794 8C 2dyz -0.005000 -0.009453 -0.028043 0.041156 -0.004397 -0.018181 8C 2dx2y2 0.068963 0.060751 -0.028548 -0.003698 -0.002504 -0.028517 8C 2dxy -0.050144 -0.022085 -0.013987 0.020071 0.006004 0.002614 8C 1f0 -0.043946 -0.042098 0.006766 0.013605 0.001537 0.015810 8C 1f+1 0.035030 0.031059 -0.001122 -0.006744 -0.009759 -0.008526 8C 1f-1 0.021177 0.031514 -0.004302 -0.012341 0.009081 -0.003897 8C 1f+2 0.014401 0.018656 0.006621 -0.015681 0.010896 -0.000355 8C 1f-2 -0.012848 -0.025407 0.002570 0.004122 0.014278 0.005269 8C 1f+3 -0.060790 -0.051211 0.006642 0.013673 -0.006078 0.009420 8C 1f-3 -0.026834 -0.012233 0.006811 0.000136 -0.001141 0.004043 9C 1s 0.000482 -0.000241 -0.000004 0.000217 -0.001280 0.000242 9C 2s 0.000359 -0.000222 0.000107 0.000404 -0.001890 -0.000187 9C 3s 0.019960 -0.014857 -0.020075 -0.012406 0.007513 0.037577 9C 4s -0.096798 0.085323 0.130746 0.059768 0.007688 -0.154743 9C 5s -0.023977 -0.042598 -0.166215 -0.118034 0.025944 0.206706 9C 1pz -0.000602 0.000652 0.001823 0.004044 -0.007571 -0.002104 9C 1px -0.002123 0.000225 0.000007 -0.000132 -0.001258 -0.004916 9C 1py -0.001045 0.001999 0.001612 0.000423 -0.005342 -0.003373 9C 2pz -0.029864 0.011974 -0.079844 -0.061832 -0.005906 0.037414 9C 2px 0.009506 -0.017847 -0.013241 -0.020158 -0.001263 0.034112 9C 2py 0.084090 -0.117481 -0.060421 0.007857 0.006162 0.047630 9C 3pz 0.053392 -0.040208 0.032189 0.039804 0.008963 -0.014566 9C 3px 0.018955 0.023628 0.011784 0.014354 -0.018755 -0.013612 9C 3py -0.039733 0.065919 0.034987 -0.008381 0.001046 -0.040079 9C 1dz2 -0.000289 0.003056 -0.000822 -0.000568 0.013601 -0.002930 9C 1dxz -0.012965 0.011508 0.005075 0.002310 0.003317 -0.000090 9C 1dyz -0.001808 0.003891 0.003334 -0.002453 0.011842 -0.003623 9C 1dx2y2 -0.005729 0.007604 -0.002022 -0.002299 -0.000351 -0.000633 9C 1dxy 0.005532 -0.008166 0.002450 0.006042 0.002157 0.002125 9C 2dz2 -0.048885 0.059799 0.015697 -0.003355 0.005705 -0.015342 9C 2dxz -0.046470 0.021836 0.013970 -0.003913 0.017094 -0.001563 9C 2dyz 0.025163 -0.001500 0.021394 0.023184 -0.008691 -0.020307 9C 2dx2y2 -0.030570 0.032251 -0.012240 -0.006909 -0.000411 -0.011807 9C 2dxy 0.015174 -0.033766 0.012422 0.015765 -0.003555 -0.006921 9C 1f0 0.039348 -0.044650 0.004752 0.013835 -0.012684 0.008901 9C 1f+1 -0.030278 0.031330 0.003294 -0.014421 -0.011874 -0.003192 9C 1f-1 -0.026292 0.022547 0.000676 -0.008130 -0.011947 0.001442 9C 1f+2 -0.018595 0.018186 0.000341 -0.009636 0.004420 -0.013923 9C 1f-2 0.060865 -0.037260 -0.008652 0.008412 -0.004226 0.017519 9C 1f+3 0.060817 -0.052383 -0.007607 0.012545 -0.000735 0.005053 9C 1f-3 0.001093 -0.008075 0.001494 0.005222 0.000619 -0.001150 10H 1s 0.003632 0.010074 0.003188 -0.007483 0.003802 0.011391 10H 2s 0.013045 0.018885 0.015853 0.007675 -0.013988 0.028547 10H 3s -0.024093 -0.032796 0.009095 -0.014259 0.029860 -0.023752 10H 1pz 0.001077 0.001677 0.001427 0.000817 -0.001911 0.007904 10H 1px -0.009489 -0.011391 -0.005530 0.004269 -0.000651 -0.009736 10H 1py -0.012044 -0.011249 0.000410 0.004740 -0.001652 0.003032 11H 1s 0.037747 0.025920 -0.003633 -0.009341 0.006035 0.009801 11H 2s 0.079169 0.072416 -0.000611 -0.030988 0.002814 0.000746 11H 3s -0.053080 -0.050067 0.011835 0.022190 -0.005433 -0.038015 11H 1pz 0.009231 0.010866 -0.000838 -0.002412 -0.000780 0.002386 11H 1px 0.021703 0.017618 -0.001808 -0.007584 0.002468 0.003145 11H 1py -0.038266 -0.030504 0.001028 0.011106 -0.002574 -0.007102 12H 1s -0.032932 -0.035512 0.000346 0.010176 0.000147 0.000209 12H 2s -0.042075 -0.083326 0.001558 0.018936 -0.002492 -0.014173 12H 3s 0.045434 0.072414 -0.004722 -0.025289 -0.008267 -0.004213 12H 1pz 0.039783 0.037664 -0.006674 -0.009687 -0.003941 0.006003 12H 1px -0.006573 -0.014317 -0.000219 0.002861 0.002101 -0.002058 12H 1py -0.013234 -0.025198 -0.001166 0.008236 -0.002098 -0.000120 13H 1s 0.019753 -0.017200 -0.005747 -0.003717 0.005449 0.000562 13H 2s -0.008281 -0.011950 -0.002209 0.000875 -0.014669 0.007387 13H 3s -0.015699 0.040352 0.007285 0.004432 0.003992 0.008579 13H 1pz -0.010158 0.003134 -0.003538 -0.005681 -0.002139 0.004351 13H 1px -0.018732 0.020199 0.000378 -0.004590 -0.002882 0.001630 13H 1py 0.010179 -0.004611 0.004115 0.004478 0.003102 -0.004147 14H 1s -0.046069 0.036931 0.003201 -0.011723 0.009881 0.009556 14H 2s -0.057024 0.070219 0.007534 -0.032780 -0.002557 -0.001854 14H 3s 0.049418 -0.062086 0.005625 0.047458 -0.003592 -0.012066 14H 1pz -0.005536 0.006110 -0.000686 -0.006015 0.000204 -0.002705 14H 1px -0.028150 0.029138 0.002044 -0.011207 0.003709 0.002864 14H 1py -0.035987 0.035784 0.005757 -0.008418 0.000685 0.010546 15H 1s 0.016207 -0.020019 -0.003399 0.007420 0.005932 -0.002692 15H 2s 0.036999 -0.060718 0.002103 0.024268 0.001273 -0.013869 15H 3s -0.026391 0.044510 0.010978 0.000023 -0.032685 0.025400 15H 1pz -0.022122 0.025899 0.000714 -0.010818 -0.002280 0.005759 15H 1px -0.005430 0.004001 -0.000010 -0.001026 0.001591 0.000015 15H 1py -0.003102 0.013444 0.001897 -0.002099 -0.000113 0.002994 16H 1s 0.013554 0.005767 0.018227 0.014863 0.012065 -0.016800 16H 2s -0.140574 -0.015187 -0.043875 -0.044007 -0.055907 0.042705 16H 3s 0.004698 0.007256 0.013533 0.014903 0.021571 -0.025993 16H 1pz -0.042590 -0.010309 -0.044582 -0.041151 0.032362 -0.036927 16H 1px -0.007975 0.043019 0.153044 0.137026 -0.163171 0.170156 16H 1py 0.024415 0.029012 0.119723 0.108516 -0.095341 0.079603 17H 1s 0.014400 0.008621 0.020923 0.015633 -0.006089 0.014827 17H 2s -0.137453 -0.013486 -0.036082 -0.038846 0.020258 -0.007612 17H 3s 0.004472 0.006547 0.014414 0.015150 -0.019578 0.019610 17H 1pz 0.042755 -0.021611 -0.051081 -0.046651 -0.050666 0.055977 17H 1px 0.019566 0.050837 0.152268 0.142924 0.146664 -0.159720 17H 1py 0.018140 0.037468 0.121877 0.111190 0.096825 -0.082143 18H 1s 0.014093 -0.008813 0.019730 -0.015528 0.006269 0.015615 18H 2s -0.135474 0.014334 -0.037060 0.042753 -0.016484 -0.004738 18H 3s 0.004577 -0.006715 0.013606 -0.015722 0.018711 0.019668 18H 1pz -0.041996 -0.021769 0.050835 -0.050513 -0.050850 -0.058256 18H 1px -0.018777 0.049830 -0.146045 0.148802 0.144965 0.164225 18H 1py -0.018761 0.036433 -0.115526 0.113823 0.094647 0.082849 19H 1s 0.013381 -0.005185 0.018038 -0.016343 -0.012481 -0.017804 19H 2s -0.138802 0.014376 -0.040745 0.043607 0.056657 0.043577 19H 3s 0.004348 -0.006682 0.012682 -0.015238 -0.020990 -0.025945 19H 1pz 0.042546 -0.010496 0.044705 -0.044743 0.032498 0.038117 19H 1px 0.007285 0.041481 -0.146475 0.143256 -0.159503 -0.171976 19H 1py -0.023526 0.028175 -0.116696 0.115987 -0.093298 -0.079959 20H 1s 0.016659 0.020497 -0.003737 -0.007295 -0.005972 -0.002669 20H 2s 0.037663 0.062122 0.000630 -0.024485 -0.001370 -0.013879 20H 3s -0.027254 -0.045344 0.010297 -0.000745 0.032269 0.025986 20H 1pz 0.022830 0.026617 -0.001273 -0.010961 -0.002340 -0.005833 20H 1px 0.005369 0.003731 -0.000034 -0.000981 0.001619 0.000012 20H 1py 0.003045 0.013574 -0.002014 -0.001908 -0.000088 -0.002882 21H 1s -0.046482 -0.037026 0.003998 0.011728 -0.009908 0.009604 21H 2s -0.058257 -0.071107 0.009165 0.032407 0.002745 -0.001177 21H 3s 0.049980 0.062439 0.002833 -0.047604 0.003456 -0.012369 21H 1pz 0.006070 0.006660 0.000394 -0.006202 0.000163 0.002559 21H 1px 0.028402 0.029169 -0.002642 -0.011143 0.003666 -0.003041 21H 1py 0.036369 0.035869 -0.006464 -0.008253 0.000733 -0.010651 22H 1s 0.019413 0.016740 -0.005484 0.004278 -0.005535 0.000589 22H 2s -0.008278 0.011179 -0.001694 -0.000534 0.014378 0.007388 22H 3s -0.015251 -0.039254 0.007437 -0.004885 -0.003829 0.008577 22H 1pz 0.010287 0.003452 0.003059 -0.006000 -0.002042 -0.004376 22H 1px 0.018416 0.019722 -0.000558 -0.004383 -0.002999 -0.001534 22H 1py -0.009864 -0.004320 -0.003778 0.004739 0.003052 0.004081 23H 1s -0.033135 0.035336 -0.000472 -0.010304 -0.000069 0.000004 23H 2s -0.042738 0.084326 0.000039 -0.019260 0.002796 -0.014678 23H 3s 0.045129 -0.072147 -0.002840 0.026055 0.008872 -0.004054 23H 1pz -0.040001 0.037676 0.005915 -0.009906 -0.003569 -0.006199 23H 1px 0.006125 -0.013649 0.000480 0.002770 0.002032 0.002115 23H 1py 0.013559 -0.025714 0.001754 0.008389 -0.002105 0.000262 24H 1s 0.038907 -0.026887 -0.003047 0.009621 -0.006268 0.009962 24H 2s 0.080536 -0.074120 0.001381 0.031797 -0.002615 0.001251 24H 3s -0.054695 0.051600 0.010179 -0.022793 0.006632 -0.037895 24H 1pz -0.008949 0.010812 0.000661 -0.002307 -0.000853 -0.002398 24H 1px -0.022985 0.018759 0.001332 -0.008044 0.002559 -0.003353 24H 1py 0.038997 -0.031081 -0.000239 0.011464 -0.002743 0.007278 25H 1s 0.002834 -0.009128 0.003670 0.007041 -0.004146 0.011185 25H 2s 0.012749 -0.017785 0.015418 -0.008144 0.013901 0.029175 25H 3s -0.023252 0.031300 0.009822 0.015155 -0.029309 -0.024187 25H 1pz -0.001730 0.002109 -0.001290 0.000703 -0.001938 -0.008235 25H 1px 0.008490 -0.010223 0.005792 0.003720 -0.000839 0.009602 25H 1py 0.011801 -0.011078 0.000058 0.004690 -0.001704 -0.003020 26O 1s -0.000387 0.000332 -0.000040 -0.000030 -0.000129 0.000563 26O 2s -0.001833 0.001145 -0.000403 0.000017 -0.000226 0.001123 26O 3s 0.030985 -0.010961 0.012489 -0.004452 0.005221 0.013841 26O 4s -0.110456 0.025401 -0.072229 0.035305 -0.048618 -0.104664 26O 5s -0.074291 -0.020126 0.026545 -0.047545 0.360526 -0.417696 26O 1pz 0.000724 -0.010664 -0.001787 0.000547 0.004236 -0.008337 26O 1px -0.000607 -0.004932 -0.003629 -0.002476 0.012221 -0.009362 26O 1py 0.005439 0.017894 -0.001586 -0.005879 0.010274 -0.009889 26O 2pz -0.020830 0.008132 0.013277 0.003450 -0.015286 0.046073 26O 2px 0.035739 0.002776 0.041276 -0.000924 -0.059595 0.146227 26O 2py 0.031576 -0.019313 0.016206 -0.003253 -0.050130 0.092789 26O 3pz 0.106914 0.018792 -0.004220 -0.035361 0.059519 -0.073552 26O 3px 0.191866 0.029947 -0.014803 0.017436 -0.066072 0.043525 26O 3py 0.048814 -0.024597 0.020023 0.037088 0.071037 -0.096686 26O 1dz2 -0.027157 0.010623 0.004703 -0.013114 -0.010762 -0.003375 26O 1dxz -0.018961 -0.012673 0.003537 0.005028 -0.000785 -0.000482 26O 1dyz 0.001640 -0.014705 0.005720 0.004841 0.021812 -0.006958 26O 1dx2y2 -0.038884 -0.017823 -0.003635 -0.003282 -0.000584 0.000231 26O 1dxy 0.025181 0.030344 0.001245 -0.010682 0.009225 -0.000530 26O 2dz2 0.008154 0.003968 0.005620 -0.002202 -0.011167 0.025501 26O 2dxz 0.016614 0.016018 -0.007177 0.000222 -0.004440 -0.009719 26O 2dyz -0.000460 0.004212 0.000306 0.002415 0.000983 -0.004997 26O 2dx2y2 0.002875 0.013045 -0.007784 -0.009371 0.008864 -0.025649 26O 2dxy -0.031795 -0.011489 -0.004804 0.008998 0.014684 -0.036459 26O 1f0 0.073254 0.124505 -0.004091 -0.040759 -0.004346 0.020326 26O 1f+1 0.226260 0.176573 -0.025482 -0.040522 -0.025945 0.040065 26O 1f-1 0.092944 0.072256 -0.017487 -0.019678 -0.004908 0.022247 26O 1f+2 0.143664 0.182334 -0.009176 -0.058952 0.012866 -0.007237 26O 1f-2 -0.072308 -0.029705 -0.008689 0.009371 -0.043656 0.006810 26O 1f+3 -0.123603 -0.104893 0.003641 0.034427 -0.003862 -0.024738 26O 1f-3 -0.141074 -0.110624 0.012346 0.030421 -0.013665 -0.025540 27O 1s 0.000177 0.000152 0.000044 -0.000208 0.000053 0.000533 27O 2s 0.001233 0.000438 0.000228 -0.000600 0.000078 0.001573 27O 3s -0.026239 -0.001627 -0.005481 0.004157 0.009021 -0.014119 27O 4s 0.103566 -0.005372 0.011334 -0.022088 -0.086149 0.033579 27O 5s 0.010300 0.007273 0.093361 0.132716 0.136184 -0.029293 27O 1pz 0.004240 -0.016134 0.005250 0.010343 -0.002784 -0.000413 27O 1px -0.001358 -0.001527 0.002356 0.004641 0.006009 0.000375 27O 1py -0.001717 -0.010400 -0.003552 0.002188 -0.003322 0.002955 27O 2pz 0.016480 0.014376 -0.014982 -0.021993 0.011989 -0.001391 27O 2px -0.042560 -0.001014 -0.035487 -0.034898 0.007246 0.012073 27O 2py 0.032864 0.005850 0.020730 0.009470 0.013598 -0.018268 27O 3pz -0.089170 0.057296 0.039800 0.034436 0.001303 0.004838 27O 3px -0.135427 0.044030 0.055853 0.067927 0.061169 -0.135269 27O 3py 0.033658 0.004082 -0.056906 -0.071170 -0.126269 0.155143 27O 1dz2 0.011906 0.017466 -0.011066 -0.011785 -0.024475 0.001240 27O 1dxz 0.029582 -0.023777 0.005423 0.012589 -0.000470 -0.006072 27O 1dyz -0.023793 -0.001641 0.002160 -0.004277 -0.008399 0.004563 27O 1dx2y2 0.011118 0.000454 -0.001181 0.002053 -0.011134 0.003385 27O 1dxy 0.018196 -0.025549 -0.009587 -0.002271 -0.008369 0.007050 27O 2dz2 -0.009804 0.000323 -0.007638 -0.005956 -0.000644 0.001688 27O 2dxz -0.024346 0.018409 0.004725 -0.000204 -0.002870 -0.001969 27O 2dyz 0.000839 -0.004592 -0.000751 -0.002162 -0.004639 0.003485 27O 2dx2y2 0.013600 0.006189 0.007668 0.003991 -0.011448 0.005461 27O 2dxy -0.017187 0.009283 -0.010678 -0.010677 -0.006600 0.009669 27O 1f0 -0.001707 -0.024133 0.006614 0.012425 -0.006866 -0.007508 27O 1f+1 -0.196151 0.177768 0.021211 -0.050754 0.022903 0.033402 27O 1f-1 0.074511 -0.167598 0.005655 0.051949 0.008933 -0.015249 27O 1f+2 -0.048611 0.044069 0.004711 -0.004003 -0.011822 -0.005822 27O 1f-2 0.159910 -0.135876 0.004761 0.061653 0.038681 -0.043405 27O 1f+3 0.141393 -0.152530 -0.017916 0.040306 -0.028694 -0.025517 27O 1f-3 -0.066671 0.087628 -0.002677 -0.032731 0.002095 0.016089 28O 1s 0.000328 0.000059 0.000206 -0.000146 -0.000102 -0.000650 28O 2s 0.001740 0.000133 0.000805 -0.000710 -0.000490 -0.001918 28O 3s -0.029042 0.002537 -0.010918 0.012902 0.017908 0.017457 28O 4s 0.111258 -0.012062 0.019138 -0.034395 -0.125469 -0.041532 28O 5s -0.011775 -0.068145 0.130525 -0.144252 0.180923 0.069640 28O 1pz 0.003850 0.008576 0.004737 -0.009360 0.003071 0.001643 28O 1px 0.002198 0.005426 0.000058 -0.001364 -0.006461 -0.000840 28O 1py 0.000281 -0.014222 0.000097 0.007081 0.004401 0.002892 28O 2pz -0.016582 0.010527 -0.033265 0.051151 0.010134 -0.017484 28O 2px 0.041870 -0.017712 0.020753 -0.028861 -0.006719 0.016418 28O 2py -0.030853 0.010559 -0.003674 -0.005478 -0.016955 -0.016081 28O 3pz -0.154069 -0.054794 0.057136 -0.064341 0.137724 0.166209 28O 3px 0.029607 -0.024335 0.016315 0.003025 -0.041397 -0.082339 28O 3py 0.028013 0.046449 0.016458 -0.031490 0.119675 0.139635 28O 1dz2 0.039601 0.004583 0.001576 -0.010584 0.002835 0.007697 28O 1dxz 0.009187 -0.011622 -0.012475 0.010523 -0.009223 0.001170 28O 1dyz -0.019702 -0.010155 0.006922 -0.002148 0.027942 0.008080 28O 1dx2y2 0.009451 -0.017564 -0.005350 0.002785 -0.005971 -0.003334 28O 1dxy 0.027817 0.026081 -0.003855 -0.005943 0.003762 -0.001601 28O 2dz2 -0.011734 -0.013945 0.006596 -0.007399 0.003579 0.006451 28O 2dxz -0.011107 0.009143 -0.013318 0.014904 0.009610 -0.000026 28O 2dyz 0.014470 0.008470 0.004194 -0.008514 0.013647 0.010466 28O 2dx2y2 0.019284 -0.000899 0.003409 -0.005382 -0.008614 -0.003912 28O 2dxy -0.017970 -0.012214 -0.002436 0.005765 -0.000780 -0.003785 28O 1f0 -0.324304 -0.298063 0.022968 0.099458 -0.002931 -0.043785 28O 1f+1 -0.022113 -0.036237 0.004615 0.012266 0.004040 -0.006656 28O 1f-1 0.052636 0.019062 -0.019569 0.007493 -0.047059 -0.022304 28O 1f+2 -0.065421 -0.112067 0.002363 0.035294 0.009279 -0.005494 28O 1f-2 -0.040018 -0.080275 0.004189 0.019496 0.023491 -0.005717 28O 1f+3 -0.165733 -0.097531 0.027858 0.040107 0.018486 -0.036915 28O 1f-3 0.039638 0.072343 -0.004088 -0.020005 -0.034795 0.000255 29O 1s -0.001127 -0.001056 -0.002119 -0.002727 0.000098 0.000302 29O 2s -0.003272 -0.003449 -0.007134 -0.008939 0.000385 0.000826 29O 3s 0.022834 0.034853 0.074610 0.090972 -0.004823 -0.006376 29O 4s -0.069182 -0.083112 -0.186121 -0.226994 0.008689 0.018198 29O 5s 0.314664 0.109058 0.240182 0.320263 0.011415 -0.059286 29O 1pz 0.001651 -0.000998 -0.006686 -0.004385 -0.008307 0.014860 29O 1px -0.001345 0.005727 0.027187 0.019342 -0.001660 0.007221 29O 1py 0.004687 0.007450 0.026358 0.024240 0.001025 -0.002247 29O 2pz -0.014979 0.000605 0.010837 0.006149 0.027023 -0.058791 29O 2px 0.025402 -0.011767 -0.058131 -0.037826 0.010171 -0.029902 29O 2py -0.028904 -0.018929 -0.069887 -0.065164 -0.005900 0.010930 29O 3pz -0.007163 0.019390 0.049126 0.058006 -0.086837 0.098082 29O 3px -0.025481 -0.062627 -0.159685 -0.181623 -0.025069 0.051482 29O 3py -0.157476 -0.011402 -0.035550 -0.041950 -0.003993 0.004802 29O 1dz2 -0.018222 -0.009095 -0.028200 -0.018529 0.056431 -0.057095 29O 1dxz -0.006270 0.003354 0.021266 0.023512 -0.107025 0.097282 29O 1dyz 0.000953 -0.000974 0.001870 -0.001439 -0.090695 0.083801 29O 1dx2y2 -0.012703 -0.035963 -0.088452 -0.084103 -0.045441 0.048667 29O 1dxy 0.009406 0.011060 0.029007 0.025862 -0.023834 0.021719 29O 2dz2 -0.002492 0.001011 -0.006589 -0.005907 0.015501 -0.010426 29O 2dxz 0.000123 0.003655 0.013058 0.012121 -0.030009 0.024161 29O 2dyz 0.005909 -0.001126 -0.000430 -0.000954 -0.022829 0.032062 29O 2dx2y2 -0.007242 -0.012255 -0.040978 -0.037740 -0.011315 0.010411 29O 2dxy -0.010119 0.006185 0.020566 0.016992 -0.006707 0.011334 29O 1f0 0.043581 0.075521 0.294970 0.272630 -0.104667 0.066256 29O 1f+1 -0.045832 -0.069980 -0.303481 -0.272158 0.395516 -0.416865 29O 1f-1 -0.013174 -0.080244 -0.270125 -0.255634 -0.023817 0.043200 29O 1f+2 0.024786 -0.067756 -0.144277 -0.147145 -0.475064 0.461045 29O 1f-2 0.032553 -0.086733 -0.267128 -0.245609 0.184143 -0.169804 29O 1f+3 0.122084 0.046738 0.235094 0.210795 0.261070 -0.247181 29O 1f-3 0.028913 -0.132723 -0.381178 -0.347234 -0.136857 0.143183 30O 1s -0.000384 -0.000267 0.000295 -0.000189 -0.000288 -0.000528 30O 2s -0.001886 -0.001006 0.000721 -0.000691 -0.000825 -0.001220 30O 3s 0.028065 0.016675 0.000184 0.010865 0.011279 -0.005622 30O 4s -0.086340 -0.072688 -0.037201 -0.055953 -0.051520 0.060314 30O 5s -0.052019 -0.000185 0.005950 0.102315 0.241086 0.341387 30O 1pz -0.001231 0.016796 -0.003928 0.000423 0.003517 0.006352 30O 1px -0.001697 0.005392 0.000718 -0.005878 -0.005763 -0.003222 30O 1py -0.002153 0.010013 0.001827 -0.004754 -0.010991 -0.010648 30O 2pz -0.009354 -0.000184 0.028511 -0.006637 -0.013381 -0.064897 30O 2px -0.021312 -0.030457 -0.018508 0.008983 0.027865 0.070945 30O 2py -0.022931 -0.021424 -0.022911 -0.001754 0.046536 0.091979 30O 3pz 0.176327 -0.030254 -0.043963 0.047808 -0.009338 -0.034796 30O 3px -0.088260 -0.012424 0.015928 0.037080 0.036172 0.054266 30O 3py -0.102930 -0.047311 0.027343 -0.005646 -0.091757 -0.088239 30O 1dz2 -0.033237 0.012730 0.000223 -0.003467 -0.015822 -0.001785 30O 1dxz 0.002121 -0.026523 0.003472 0.010678 -0.011040 0.001848 30O 1dyz 0.013899 0.000020 -0.001951 -0.010327 -0.005012 -0.004940 30O 1dx2y2 -0.023287 -0.004336 -0.003696 0.006273 -0.012189 -0.000154 30O 1dxy 0.020796 -0.021743 -0.002396 0.003944 -0.000139 -0.003435 30O 2dz2 0.020253 -0.014980 -0.003531 0.004129 -0.008427 -0.007754 30O 2dxz -0.005500 0.015605 0.005191 -0.003476 -0.004117 -0.020094 30O 2dyz 0.011254 0.005221 0.005923 0.000685 -0.002328 -0.018790 30O 2dx2y2 0.001142 -0.008289 0.003627 0.008208 0.001644 0.001944 30O 2dxy -0.016700 0.003637 -0.005429 -0.006469 0.007948 0.026240 30O 1f0 0.123331 -0.116846 -0.002362 0.036331 0.027864 -0.006996 30O 1f+1 0.031891 -0.035667 0.000995 0.007655 -0.000592 -0.019192 30O 1f-1 -0.213199 0.273814 0.013907 -0.078496 0.004419 0.048187 30O 1f+2 -0.087572 0.052537 0.015745 -0.002676 -0.000584 0.025954 30O 1f-2 0.009154 0.025093 0.004788 -0.008722 0.010600 -0.001455 30O 1f+3 0.101261 -0.043660 -0.000121 0.011934 0.009228 -0.037649 30O 1f-3 0.119714 -0.139547 0.003317 0.052280 0.043012 -0.020276 31O 1s -0.000397 0.000260 0.000287 0.000147 0.000307 -0.000522 31O 2s -0.001938 0.000982 0.000698 0.000562 0.000865 -0.001198 31O 3s 0.028906 -0.016329 0.000513 -0.009692 -0.010912 -0.005859 31O 4s -0.089527 0.071208 -0.038544 0.053509 0.048496 0.060524 31O 5s -0.054772 0.001561 0.003137 -0.097994 -0.255472 0.345590 31O 1pz 0.001190 0.016751 0.003737 0.000130 0.003779 -0.006457 31O 1px 0.001673 0.005397 -0.000779 -0.005850 -0.005932 0.003288 31O 1py 0.002060 0.010036 -0.002146 -0.004690 -0.011475 0.010631 31O 2pz 0.009112 -0.000178 -0.029082 -0.005389 -0.016446 0.065624 31O 2px 0.022482 -0.030114 0.018992 0.008813 0.031071 -0.071371 31O 2py 0.023980 -0.021360 0.023440 -0.002582 0.050405 -0.091999 31O 3pz -0.179074 -0.031175 0.042317 0.042258 -0.007514 0.034050 31O 3px 0.089649 -0.012182 -0.012411 0.038372 0.038828 -0.056046 31O 3py 0.104601 -0.045945 -0.021596 0.000012 -0.095324 0.087469 31O 1dz2 -0.033524 -0.012765 0.000217 0.003311 0.015874 -0.001391 31O 1dxz 0.002237 0.026640 0.002828 -0.010698 0.011029 0.002087 31O 1dyz 0.013862 -0.000178 -0.001830 0.009935 0.005182 -0.005375 31O 1dx2y2 -0.023467 0.004287 -0.004268 -0.006341 0.012323 0.000119 31O 1dxy 0.020900 0.021754 -0.002682 -0.003910 0.000254 -0.003465 31O 2dz2 0.020549 0.014984 -0.003921 -0.003969 0.008602 -0.007608 31O 2dxz -0.005248 -0.015481 0.005807 0.003601 0.005081 -0.020298 31O 2dyz 0.011376 -0.005255 0.005702 -0.001115 0.003157 -0.019030 31O 2dx2y2 0.000986 0.008158 0.002815 -0.008774 -0.001782 0.002057 31O 2dxy -0.017252 -0.003754 -0.005447 0.006414 -0.008990 0.026252 31O 1f0 -0.124388 -0.116880 0.004597 0.035759 0.028739 0.007905 31O 1f+1 -0.032025 -0.035683 -0.000335 0.008391 -0.000949 0.019782 31O 1f-1 0.215251 0.273983 -0.019605 -0.078647 0.004464 -0.049107 31O 1f+2 0.088236 0.052404 -0.016580 -0.002429 -0.000382 -0.027272 31O 1f-2 -0.008909 0.025398 -0.005273 -0.008150 0.010693 0.001730 31O 1f+3 -0.101912 -0.043652 0.000870 0.012528 0.008635 0.038397 31O 1f-3 -0.121072 -0.139842 -0.000184 0.052092 0.043579 0.020948 32O 1s -0.001124 0.001040 -0.001994 0.002808 -0.000096 0.000298 32O 2s -0.003266 0.003391 -0.006715 0.009205 -0.000390 0.000802 32O 3s 0.022913 -0.034182 0.070196 -0.093658 0.005157 -0.005825 32O 4s -0.069183 0.081409 -0.174918 0.233466 -0.009604 0.016616 32O 5s 0.311640 -0.107541 0.225437 -0.328698 -0.013996 -0.060244 32O 1pz -0.001474 -0.000986 0.007164 -0.005581 -0.008468 -0.015649 32O 1px 0.001450 0.005479 -0.026116 0.020120 -0.001694 -0.007283 32O 1py -0.004620 0.007286 -0.025413 0.025461 0.000925 0.002197 32O 2pz 0.013609 0.000835 -0.013536 0.010634 0.027721 0.062038 32O 2px -0.025600 -0.011069 0.055279 -0.038686 0.010836 0.030914 32O 2py 0.028500 -0.018633 0.067682 -0.068653 -0.006057 -0.010993 32O 3pz 0.005229 0.019026 -0.047730 0.061530 -0.084864 -0.098965 32O 3px 0.024826 -0.061262 0.150674 -0.187235 -0.024093 -0.051609 32O 3py 0.156292 -0.011342 0.034142 -0.043225 -0.008058 -0.007585 32O 1dz2 -0.018370 0.008653 -0.027687 0.020083 -0.057878 -0.060547 32O 1dxz -0.005377 -0.002866 0.019916 -0.024603 0.104374 0.098163 32O 1dyz 0.000368 0.001632 -0.000525 0.003275 0.088585 0.084617 32O 1dx2y2 -0.012684 0.035419 -0.085241 0.087920 0.042131 0.047167 32O 1dxy 0.009396 -0.010485 0.027108 -0.026384 0.025961 0.024713 32O 2dz2 -0.002852 -0.001213 -0.006567 0.006645 -0.015902 -0.011602 32O 2dxz 0.000515 -0.003375 0.012703 -0.013194 0.028802 0.023424 32O 2dyz 0.005535 0.001343 -0.001950 0.002751 0.022904 0.033553 32O 2dx2y2 -0.007118 0.012065 -0.039542 0.039472 0.010479 0.009737 32O 2dxy -0.010134 -0.005847 0.019045 -0.017021 0.007698 0.012424 32O 1f0 -0.044338 0.076878 -0.296728 0.300560 -0.094713 -0.056030 32O 1f+1 0.047830 -0.065190 0.283933 -0.277659 0.380389 0.416035 32O 1f-1 0.010463 -0.077566 0.252204 -0.260580 -0.042195 -0.061585 32O 1f+2 -0.026290 -0.066067 0.131183 -0.143511 -0.475445 -0.477544 32O 1f-2 -0.026151 -0.087923 0.272486 -0.273464 0.180288 0.172717 32O 1f+3 -0.119321 0.045631 -0.225653 0.218570 0.262943 0.257989 32O 1f-3 -0.030714 -0.127522 0.358755 -0.354922 -0.116024 -0.128396 33O 1s 0.000320 -0.000061 0.000157 0.000101 0.000087 -0.000636 33O 2s 0.001702 -0.000143 0.000619 0.000540 0.000444 -0.001864 33O 3s -0.028336 -0.002394 -0.008378 -0.010839 -0.017688 0.016328 33O 4s 0.108929 0.011925 0.010894 0.029427 0.125593 -0.035869 33O 5s -0.017721 0.066775 0.126833 0.129341 -0.176085 0.065275 33O 1pz -0.003766 0.008419 -0.005234 -0.009100 0.002890 -0.001391 33O 1px -0.002376 0.005561 -0.000419 -0.001630 -0.006442 0.000581 33O 1py -0.000332 -0.014252 0.000104 0.006917 0.004470 -0.002794 33O 2pz 0.015005 0.011013 0.032860 0.048519 0.011597 0.017611 33O 2px -0.040100 -0.018094 -0.018027 -0.026052 -0.007496 -0.017067 33O 2py 0.031071 0.010675 0.003735 -0.005105 -0.017067 0.016005 33O 3pz 0.154596 -0.057018 -0.063605 -0.063783 0.136716 -0.159720 33O 3px -0.027977 -0.022829 -0.010324 0.008307 -0.043249 0.080582 33O 3py -0.027564 0.045289 -0.020121 -0.031831 0.122214 -0.137500 33O 1dz2 0.039823 -0.004668 0.001904 0.010490 -0.002781 0.007171 33O 1dxz 0.009136 0.011453 -0.012994 -0.009704 0.009375 0.001221 33O 1dyz -0.019970 0.010023 0.007065 0.001925 -0.027857 0.007354 33O 1dx2y2 0.009628 0.017426 -0.005885 -0.002853 0.005970 -0.003547 33O 1dxy 0.027905 -0.026178 -0.003441 0.006203 -0.003664 -0.001591 33O 2dz2 -0.012048 0.013945 0.006309 0.006881 -0.003426 0.006281 33O 2dxz -0.010366 -0.009181 -0.012366 -0.013624 -0.010003 -0.000554 33O 2dyz 0.014325 -0.008552 0.004198 0.008228 -0.013702 0.010307 33O 2dx2y2 0.018977 0.000848 0.002823 0.004852 0.008853 -0.003586 33O 2dxy -0.018078 0.012158 -0.002606 -0.005636 0.000832 -0.003959 33O 1f0 0.326639 -0.298907 -0.016372 0.101071 -0.004737 0.043729 33O 1f+1 0.021555 -0.035986 -0.003759 0.012465 0.004027 0.006843 33O 1f-1 -0.051815 0.017192 0.020028 0.007621 -0.046422 0.021153 33O 1f+2 0.065926 -0.111798 0.000283 0.035696 0.008880 0.006378 33O 1f-2 0.040118 -0.079757 -0.002662 0.019911 0.023169 0.006789 33O 1f+3 0.166892 -0.098291 -0.025354 0.041900 0.017633 0.036903 33O 1f-3 -0.040049 0.071666 0.002579 -0.020110 -0.033867 -0.001169 34O 1s 0.000166 -0.000141 0.000012 0.000237 -0.000077 0.000525 34O 2s 0.001189 -0.000397 0.000088 0.000701 -0.000146 0.001542 34O 3s -0.025583 0.001094 -0.003129 -0.005114 -0.008560 -0.013616 34O 4s 0.101646 0.006957 0.004002 0.024180 0.085694 0.031573 34O 5s 0.007429 -0.005182 0.080837 -0.130646 -0.132367 -0.028453 34O 1pz -0.004276 -0.016182 -0.004671 0.010643 -0.002869 0.000342 34O 1px 0.001373 -0.001599 -0.002012 0.004598 0.005819 -0.000467 34O 1py 0.001608 -0.010456 0.003919 0.001828 -0.003199 -0.002931 34O 2pz -0.016614 0.014376 0.013987 -0.022955 0.012338 0.002004 34O 2px 0.041474 -0.000139 0.030089 -0.035392 0.009152 -0.012343 34O 2py -0.032309 0.005901 -0.020103 0.011005 0.012820 0.018491 34O 3pz 0.089016 0.056901 -0.038172 0.035577 -0.001749 -0.007204 34O 3px 0.133392 0.045183 -0.057779 0.073698 0.055537 0.133444 34O 3py -0.033589 0.003506 0.055782 -0.074686 -0.121290 -0.155541 34O 1dz2 0.012126 -0.017678 -0.010379 0.012075 0.024586 0.001888 34O 1dxz 0.029978 0.023863 0.004697 -0.012882 0.000626 -0.005967 34O 1dyz -0.023869 0.001695 0.002382 0.004331 0.008214 0.004157 34O 1dx2y2 0.011395 -0.000373 -0.001460 -0.001641 0.011088 0.003773 34O 1dxy 0.018412 0.025541 -0.009704 0.002498 0.008111 0.006789 34O 2dz2 -0.009450 -0.000496 -0.006518 0.006015 0.000457 0.001847 34O 2dxz -0.024500 -0.018420 0.004702 0.000017 0.003072 -0.001694 34O 2dyz 0.000900 0.004601 -0.000488 0.002111 0.004489 0.003361 34O 2dx2y2 0.013202 -0.005921 0.006444 -0.003987 0.011567 0.005388 34O 2dxy -0.016955 -0.009406 -0.009253 0.010938 0.006242 0.009838 34O 1f0 0.000580 -0.024419 -0.006117 0.012949 -0.006987 0.007405 34O 1f+1 0.197737 0.177474 -0.024717 -0.049727 0.022597 -0.032792 34O 1f-1 -0.075648 -0.167924 -0.002137 0.052269 0.009231 0.016452 34O 1f+2 0.048569 0.044111 -0.005301 -0.003252 -0.012376 0.005320 34O 1f-2 -0.160785 -0.135990 -0.001055 0.062455 0.038115 0.043287 34O 1f+3 -0.142785 -0.152300 0.021041 0.039762 -0.028520 0.025592 34O 1f-3 0.067577 0.087749 0.000708 -0.032722 0.001927 -0.015855 35O 1s -0.000385 -0.000332 -0.000027 0.000035 0.000132 0.000562 35O 2s -0.001826 -0.001149 -0.000345 0.000000 0.000245 0.001117 35O 3s 0.030880 0.011110 0.011861 0.004021 -0.005752 0.013615 35O 4s -0.109748 -0.026388 -0.072077 -0.032020 0.051112 -0.102089 35O 5s -0.076448 0.019182 0.035732 0.038990 -0.356017 -0.427670 35O 1pz -0.000616 -0.010642 0.002049 0.000571 0.004132 0.008421 35O 1px 0.000591 -0.004745 0.003227 -0.002557 0.012063 0.009760 35O 1py -0.005252 0.017950 0.001191 -0.006016 0.010248 0.010124 35O 2pz 0.020511 0.007959 -0.013681 0.003507 -0.014929 -0.046402 35O 2px -0.035576 0.001686 -0.039164 0.000142 -0.057716 -0.147389 35O 2py -0.032303 -0.019715 -0.015600 -0.002880 -0.049153 -0.093669 35O 3pz -0.106748 0.019647 0.000111 -0.034039 0.061149 0.076813 35O 3px -0.192416 0.030495 0.015738 0.015732 -0.062769 -0.043692 35O 3py -0.048961 -0.023658 -0.020103 0.038582 0.070766 0.098898 35O 1dz2 -0.027323 -0.010449 0.005229 0.012738 0.010754 -0.003497 35O 1dxz -0.019284 0.012746 0.003136 -0.005258 0.000684 -0.000741 35O 1dyz 0.001643 0.014867 0.005635 -0.005457 -0.021964 -0.007601 35O 1dx2y2 -0.039242 0.017774 -0.003733 0.003353 0.000754 0.000000 35O 1dxy 0.025250 -0.030425 0.002263 0.010271 -0.009238 -0.000834 35O 2dz2 0.008243 -0.003806 0.005576 0.001948 0.010715 0.025529 35O 2dxz 0.016712 -0.016179 -0.006975 -0.000193 0.004362 -0.009669 35O 2dyz -0.000362 -0.004174 0.000604 -0.002818 -0.001089 -0.005157 35O 2dx2y2 0.002940 -0.013178 -0.007045 0.009774 -0.008514 -0.025738 35O 2dxy -0.031983 0.011338 -0.004725 -0.009213 -0.014179 -0.036680 35O 1f0 -0.073314 0.124534 0.001329 -0.041149 -0.003886 -0.020250 35O 1f+1 -0.227956 0.177275 0.022282 -0.042866 -0.024614 -0.041799 35O 1f-1 -0.094093 0.073264 0.016252 -0.020861 -0.004532 -0.022810 35O 1f+2 -0.144195 0.181344 0.005209 -0.058606 0.014171 0.007643 35O 1f-2 0.071713 -0.028169 0.009592 0.008083 -0.044519 -0.007999 35O 1f+3 0.124233 -0.105085 -0.000997 0.035112 -0.004601 0.024685 35O 1f-3 0.142318 -0.111177 -0.010067 0.031817 -0.014531 0.025820 642 643 644 645 646 647 5.46600 5.46704 5.47755 5.47908 5.49014 5.49164 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s 0.000083 0.000040 0.000005 0.000002 -0.000058 0.000059 0Rh 2s -0.000675 -0.000286 0.000067 -0.000109 0.000542 -0.000439 0Rh 3s 0.000100 0.000070 0.000069 -0.000054 -0.000031 0.000096 0Rh 4s 0.004090 0.001767 -0.000339 0.000613 -0.003246 0.002690 0Rh 5s -0.010664 -0.004675 0.000870 -0.001737 0.008438 -0.007047 0Rh 6s 0.012301 0.005435 -0.001099 0.003087 -0.009569 0.008236 0Rh 7s -0.028604 -0.005545 -0.001659 -0.028498 0.011046 -0.007662 0Rh 8s -0.011793 -0.011439 0.005169 0.015220 0.002189 -0.008911 0Rh 1pz -0.002927 -0.002547 -0.047133 -0.047052 0.001047 -0.004811 0Rh 1px -0.000730 -0.003959 -0.024116 -0.004492 -0.001387 0.000383 0Rh 1py 0.000464 0.001081 0.045303 -0.051605 0.002940 -0.014493 0Rh 2pz 0.012083 0.010454 0.193801 0.193460 -0.004307 0.019924 0Rh 2px 0.002979 0.016300 0.099155 0.018459 0.005702 -0.001591 0Rh 2py -0.001920 -0.004438 -0.186251 0.212177 -0.012091 0.059839 0Rh 3pz -0.037538 -0.031567 -0.590460 -0.589269 0.013159 -0.063399 0Rh 3px -0.008601 -0.050105 -0.302015 -0.055968 -0.017279 0.005257 0Rh 3py 0.006077 0.013371 0.566987 -0.646191 0.036880 -0.186928 0Rh 4pz 0.044671 0.036708 0.686575 0.684846 -0.015379 0.081325 0Rh 4px 0.008399 0.059825 0.350862 0.063976 0.019607 -0.007634 0Rh 4py -0.007671 -0.015131 -0.658009 0.750585 -0.042982 0.230300 0Rh 5pz -0.015213 -0.021497 -0.285261 -0.284873 0.006503 -0.047922 0Rh 5px -0.000817 -0.030085 -0.144948 -0.022358 -0.006609 0.006955 0Rh 5py 0.003505 0.005863 0.270830 -0.309779 0.017911 -0.118507 0Rh 6pz -0.047083 0.185940 0.245888 0.258480 -0.008564 0.065865 0Rh 6px 0.043506 0.069485 0.109793 0.001076 -0.006204 -0.026072 0Rh 6py 0.015937 -0.018002 -0.190307 0.221822 -0.008967 0.084115 0Rh 1dz2 0.000779 -0.001031 0.001315 0.000193 0.000395 0.000159 0Rh 1dxz -0.002856 0.002433 -0.001512 -0.002605 0.000396 -0.000818 0Rh 1dyz -0.000824 -0.000011 -0.001863 -0.000700 -0.000277 -0.000198 0Rh 1dx2y2 -0.000347 0.000126 -0.001802 0.000822 -0.000225 -0.000041 0Rh 1dxy -0.000071 -0.000211 0.000631 -0.001500 -0.000239 0.001036 0Rh 2dz2 -0.000216 0.000399 0.000028 0.000256 -0.000015 0.000003 0Rh 2dxz 0.000513 -0.000634 -0.000165 -0.000004 -0.000095 -0.000161 0Rh 2dyz 0.000288 0.000301 0.000013 0.000211 0.000097 0.000084 0Rh 2dx2y2 0.000241 -0.000052 0.000100 -0.000109 0.000249 0.000208 0Rh 2dxy 0.000114 0.000190 0.000368 -0.000323 0.000154 -0.000768 0Rh 3dz2 -0.002709 0.003050 -0.006548 -0.002212 -0.001820 -0.000792 0Rh 3dxz 0.011350 -0.008714 0.008220 0.012764 -0.001462 0.004777 0Rh 3dyz 0.002586 -0.001401 0.009041 0.002369 0.000884 0.000552 0Rh 3dx2y2 0.000487 -0.000364 0.008329 -0.003468 -0.000088 -0.000820 0Rh 3dxy -0.000217 0.000088 -0.004914 0.008959 0.000423 -0.001348 0Rh 4dz2 0.004184 -0.004054 0.013918 0.006259 0.003410 0.001737 0Rh 4dxz -0.020624 0.014435 -0.018517 -0.027283 0.002432 -0.011331 0Rh 4dyz -0.003394 0.004464 -0.019337 -0.003781 -0.001315 -0.000600 0Rh 4dx2y2 0.000883 0.000510 -0.017405 0.006751 0.001324 0.003177 0Rh 4dxy 0.001341 0.000914 0.012645 -0.021265 -0.000094 -0.001220 0Rh 5dz2 -0.003027 0.001456 -0.022745 -0.016690 -0.003591 -0.006049 0Rh 5dxz 0.025384 -0.013697 0.033480 0.045151 -0.001276 0.029154 0Rh 5dyz -0.007444 -0.011124 0.032783 0.000174 -0.000539 -0.003736 0Rh 5dx2y2 -0.012415 -0.000786 0.029008 -0.008984 -0.005851 -0.012902 0Rh 5dxy -0.009467 -0.003910 -0.028487 0.043400 -0.003109 0.019881 0Rh 1f0 0.001299 -0.001152 -0.008239 0.006078 -0.000457 0.000923 0Rh 1f+1 0.003003 -0.003812 0.005867 0.007781 -0.000372 0.001779 0Rh 1f-1 -0.001296 0.001955 0.000897 0.020920 -0.000864 -0.000950 0Rh 1f+2 -0.002171 -0.000037 -0.017129 -0.010216 -0.000284 -0.001211 0Rh 1f-2 0.000999 -0.001582 -0.012295 0.009464 -0.000526 -0.000041 0Rh 1f+3 -0.000350 -0.000194 0.013791 0.000357 0.000261 -0.001408 0Rh 1f-3 -0.001627 0.000257 -0.007003 0.007469 -0.000348 0.003410 1Rh 1s -0.000062 0.000050 0.000011 0.000003 -0.000058 -0.000061 1Rh 2s 0.000527 -0.000358 0.000017 -0.000102 0.000537 0.000461 1Rh 3s -0.000063 0.000087 0.000077 -0.000044 -0.000031 -0.000096 1Rh 4s -0.003182 0.002206 -0.000032 0.000577 -0.003215 -0.002823 1Rh 5s 0.008304 -0.005816 0.000060 -0.001627 0.008354 0.007396 1Rh 6s -0.009670 0.006709 -0.000141 0.002869 -0.009459 -0.008646 1Rh 7s 0.024108 -0.005910 -0.003272 -0.027603 0.011066 0.008331 1Rh 8s 0.007953 -0.012171 0.006463 0.015841 0.001659 0.008664 1Rh 1pz -0.002896 0.002728 0.047118 0.046932 -0.000785 -0.004992 1Rh 1px -0.000048 0.004127 0.024177 0.004485 0.001430 0.000412 1Rh 1py 0.000613 -0.001217 -0.045393 0.051558 -0.002577 -0.014530 1Rh 2pz 0.011954 -0.011202 -0.193739 -0.192963 0.003226 0.020669 1Rh 2px 0.000173 -0.016991 -0.099408 -0.018427 -0.005877 -0.001712 1Rh 2py -0.002534 0.004998 0.186623 -0.211984 0.010594 0.059991 1Rh 3pz -0.037162 0.033917 0.590284 0.587736 -0.009771 -0.065674 1Rh 3px -0.000011 0.052156 0.302791 0.055865 0.017815 0.005627 1Rh 3py 0.007956 -0.015109 -0.568148 0.645603 -0.032217 -0.187397 1Rh 4pz 0.044182 -0.039558 -0.686403 -0.683004 0.011159 0.083981 1Rh 4px -0.001673 -0.061954 -0.351759 -0.063831 -0.020232 -0.008065 1Rh 4py -0.009921 0.017193 0.659420 -0.749899 0.037279 0.230864 1Rh 5pz -0.014117 0.022496 0.285273 0.284004 -0.004197 -0.049068 1Rh 5px 0.003461 0.030054 0.145255 0.022261 0.006836 0.007100 1Rh 5py 0.004684 -0.006582 -0.271452 0.309503 -0.015050 -0.118774 1Rh 6pz -0.070808 -0.185187 -0.246621 -0.259713 0.005292 0.069631 1Rh 6px 0.040415 -0.060829 -0.109172 -0.001529 0.006839 -0.024835 1Rh 6py 0.015404 0.017632 0.188658 -0.222552 0.007114 0.084805 1Rh 1dz2 -0.000831 -0.000852 0.001317 0.000287 0.000379 -0.000140 1Rh 1dxz 0.003096 0.002143 -0.001516 -0.002603 0.000405 0.000846 1Rh 1dyz 0.000746 -0.000196 -0.001877 -0.000701 -0.000286 0.000218 1Rh 1dx2y2 0.000359 0.000090 -0.001743 0.000848 -0.000216 0.000047 1Rh 1dxy 0.000148 -0.000126 0.000627 -0.001506 -0.000194 -0.001026 1Rh 2dz2 0.000236 0.000362 0.000034 0.000241 -0.000008 -0.000005 1Rh 2dxz -0.000583 -0.000576 -0.000164 -0.000002 -0.000109 0.000154 1Rh 2dyz -0.000244 0.000350 0.000022 0.000186 0.000100 -0.000086 1Rh 2dx2y2 -0.000236 -0.000021 0.000096 -0.000093 0.000250 -0.000199 1Rh 2dxy -0.000117 0.000183 0.000374 -0.000321 0.000132 0.000772 1Rh 3dz2 0.002861 0.002361 -0.006587 -0.002593 -0.001773 0.000708 1Rh 3dxz -0.012174 -0.007585 0.008235 0.012747 -0.001438 -0.004879 1Rh 3dyz -0.002419 -0.000743 0.009067 0.002495 0.000917 -0.000643 1Rh 3dx2y2 -0.000569 -0.000344 0.008060 -0.003673 -0.000131 0.000744 1Rh 3dxy -0.000146 -0.000287 -0.004920 0.008977 0.000314 0.001284 1Rh 4dz2 -0.004385 -0.002866 0.014009 0.006930 0.003349 -0.001573 1Rh 4dxz 0.021928 0.012410 -0.018580 -0.027261 0.002299 0.011501 1Rh 4dyz 0.003278 0.003415 -0.019341 -0.004175 -0.001370 0.000799 1Rh 4dx2y2 -0.000667 0.000703 -0.016834 0.007263 0.001427 -0.002974 1Rh 4dxy -0.000600 0.001674 0.012702 -0.021296 0.000020 0.001375 1Rh 5dz2 0.003257 0.000215 -0.022786 -0.017089 -0.003693 0.005807 1Rh 5dxz -0.026530 -0.011361 0.033906 0.045359 -0.000636 -0.029223 1Rh 5dyz 0.006862 -0.011297 0.032626 0.001414 -0.000562 0.003332 1Rh 5dx2y2 0.011929 -0.002112 0.027821 -0.010186 -0.006114 0.012447 1Rh 5dxy 0.008461 -0.005481 -0.028808 0.043463 -0.002856 -0.020212 1Rh 1f0 0.001358 0.001067 0.008231 -0.006066 0.000429 0.000920 1Rh 1f+1 0.003385 0.003407 -0.005860 -0.007791 0.000311 0.001819 1Rh 1f-1 -0.001526 -0.001828 -0.000914 -0.020964 0.000847 -0.000885 1Rh 1f+2 -0.002194 0.000201 0.017092 0.010258 0.000338 -0.001276 1Rh 1f-2 0.001142 0.001453 0.012292 -0.009435 0.000528 -0.000049 1Rh 1f+3 -0.000332 0.000116 -0.013777 -0.000355 -0.000247 -0.001380 1Rh 1f-3 -0.001535 -0.000024 0.007004 -0.007463 0.000271 0.003417 2C 1s -0.000421 -0.000171 0.000354 0.001247 -0.000323 -0.001633 2C 2s -0.000448 -0.000349 0.000393 0.000808 -0.000541 -0.001896 2C 3s -0.017295 0.003467 0.004101 0.049203 -0.007591 -0.037244 2C 4s 0.119818 0.035269 -0.016917 -0.201963 0.055983 0.243019 2C 5s -0.132252 0.063339 -0.002977 0.019800 -0.011012 -0.622600 2C 1pz -0.000648 0.001299 -0.003544 -0.009171 0.002733 0.006615 2C 1px 0.001406 0.002743 0.007312 0.033305 -0.000257 0.000359 2C 1py 0.000637 0.001104 0.000791 0.007203 -0.002367 0.003780 2C 2pz 0.062343 0.037953 0.059489 0.134766 -0.005850 0.083653 2C 2px 0.004671 -0.015513 -0.051292 -0.240120 0.001154 0.036327 2C 2py 0.031298 0.023869 -0.008672 -0.005815 0.049938 0.059593 2C 3pz -0.027236 0.017746 -0.002084 -0.007501 0.018793 -0.123731 2C 3px -0.009630 -0.018837 -0.010555 -0.046276 0.016739 -0.031463 2C 3py -0.011953 0.004513 -0.002751 -0.024385 -0.033944 -0.096397 2C 1dz2 0.004398 0.000282 0.006349 0.024282 -0.029644 -0.003700 2C 1dxz 0.002782 0.000992 -0.009373 -0.036397 -0.016592 -0.003948 2C 1dyz 0.003008 0.002943 0.003187 0.013138 0.020431 0.024719 2C 1dx2y2 -0.000022 -0.000961 -0.000331 -0.000176 -0.024369 -0.017568 2C 1dxy 0.000955 0.001155 -0.004981 -0.026898 0.004172 0.004947 2C 2dz2 0.019032 0.013987 0.032931 0.147371 -0.045323 -0.001106 2C 2dxz -0.000757 -0.001619 -0.051953 -0.207280 -0.025279 -0.023720 2C 2dyz 0.018020 0.006800 0.018960 0.050942 0.030368 0.050512 2C 2dx2y2 -0.004149 -0.013404 -0.010193 -0.015182 -0.033366 -0.015147 2C 2dxy -0.002219 -0.008134 -0.024983 -0.152804 0.022242 0.020100 2C 1f0 0.006062 0.001222 0.015230 0.088946 -0.055929 -0.019126 2C 1f+1 0.004226 -0.001211 -0.013933 -0.082231 -0.011839 0.004358 2C 1f-1 0.005860 0.000204 0.011616 0.026129 -0.001173 0.016955 2C 1f+2 -0.002789 -0.001919 -0.000733 -0.014319 -0.038430 -0.036291 2C 1f-2 0.003518 -0.002960 -0.041302 -0.156453 -0.008018 0.003703 2C 1f+3 -0.001762 0.001667 -0.011246 -0.013247 -0.003623 -0.005883 2C 1f-3 0.000437 0.003245 0.011779 0.058160 0.017694 0.015332 3C 1s -0.000299 0.000332 0.001127 -0.000343 -0.000235 0.001037 3C 2s -0.000368 0.000634 0.000908 -0.000386 -0.000471 0.000983 3C 3s -0.006338 -0.005885 0.043280 -0.010900 -0.005184 0.033376 3C 4s 0.059616 -0.018745 -0.187145 0.066526 0.047402 -0.199033 3C 5s -0.088057 -0.087680 0.090538 0.009484 0.009116 0.308558 3C 1pz 0.000709 -0.001857 -0.009851 0.002445 -0.003080 -0.003733 3C 1px -0.000382 0.001171 0.033725 -0.007832 0.000759 -0.001588 3C 1py -0.001060 0.003147 0.005904 -0.001857 -0.001842 0.001513 3C 2pz 0.018553 -0.008228 0.097711 -0.002021 0.055651 -0.028406 3C 2px 0.022957 -0.024053 -0.248804 0.074528 0.004919 -0.036230 3C 2py -0.038915 0.008362 -0.074242 0.009818 0.003452 0.114789 3C 3pz -0.006404 -0.005880 0.015657 -0.002070 -0.041532 0.001949 3C 3px -0.011604 -0.004114 -0.037901 0.009230 -0.007031 0.017811 3C 3py 0.022088 0.013068 -0.001989 -0.003762 -0.029384 -0.080014 3C 1dz2 0.000241 0.000255 0.011413 -0.001880 0.032241 0.040713 3C 1dxz 0.002714 -0.001333 -0.024155 0.005201 0.019657 0.019296 3C 1dyz -0.004313 0.001486 -0.021354 0.003903 -0.026500 -0.018497 3C 1dx2y2 -0.000897 0.001422 -0.022815 0.003950 0.027142 0.046035 3C 1dxy -0.002220 0.001804 0.032069 -0.008434 0.003398 0.013859 3C 2dz2 -0.001269 0.002938 0.068225 -0.014353 0.034133 0.040729 3C 2dxz 0.008469 -0.007149 -0.109327 0.019417 0.027951 0.028896 3C 2dyz -0.014166 -0.008397 -0.114991 0.025902 -0.048736 -0.017933 3C 2dx2y2 -0.002756 -0.000507 -0.141178 0.022314 0.041485 0.083891 3C 2dxy -0.010872 0.015015 0.191737 -0.047839 0.015653 0.035006 3C 1f0 0.000010 0.000257 -0.011250 -0.003339 0.014754 0.025460 3C 1f+1 0.002247 -0.000551 0.038677 -0.004455 0.024801 0.025637 3C 1f-1 -0.003650 -0.004394 -0.063067 0.018295 -0.068329 -0.084057 3C 1f+2 -0.001418 -0.004301 -0.050471 0.014882 -0.001851 0.015980 3C 1f-2 -0.004847 0.005734 0.099103 -0.027455 -0.021438 -0.014558 3C 1f+3 0.004238 -0.003118 -0.090332 0.013947 -0.007172 -0.017545 3C 1f-3 -0.000406 -0.002743 -0.125393 0.027984 0.023191 0.040494 4C 1s 0.000583 -0.000773 -0.000062 -0.000478 -0.000058 0.002148 4C 2s 0.001003 -0.000933 -0.000312 -0.001183 -0.000291 0.003532 4C 3s -0.015139 -0.055092 0.020855 0.010676 0.017746 0.010933 4C 4s 0.056502 0.295349 -0.102932 -0.043951 -0.069434 -0.189862 4C 5s 0.087321 0.136246 -0.023379 -0.014035 -0.005534 0.392513 4C 1pz -0.012361 -0.005796 0.008123 0.035575 0.000282 -0.020046 4C 1px 0.008887 0.001608 -0.026979 -0.109686 0.004893 -0.003904 4C 1py -0.004396 -0.002612 -0.004831 -0.019921 -0.005539 -0.016157 4C 2pz 0.164496 0.136640 -0.027817 -0.122126 0.081886 0.166246 4C 2px -0.192155 -0.024238 0.093003 0.437510 0.022171 0.055155 4C 2py 0.036316 0.067826 0.017878 0.081297 -0.090331 0.049215 4C 3pz -0.053629 0.090866 -0.046611 -0.184290 -0.037082 -0.321793 4C 3px -0.038037 0.060755 0.081188 0.292938 -0.037961 -0.044143 4C 3py -0.052281 0.073314 -0.002042 0.002655 0.054428 -0.185235 4C 1dz2 0.001133 0.000562 0.008053 0.009347 0.054639 0.009477 4C 1dxz -0.010646 -0.003486 -0.012656 -0.006305 0.023796 0.000960 4C 1dyz 0.001505 0.002653 -0.005354 0.008769 -0.030607 -0.027723 4C 1dx2y2 -0.000554 0.007161 -0.013785 0.006429 0.035761 0.024292 4C 1dxy -0.006276 0.006250 0.014601 -0.011825 0.005847 0.001629 4C 2dz2 0.015058 -0.019179 0.038692 0.161255 -0.038465 -0.020099 4C 2dxz -0.091729 -0.082013 -0.061088 -0.273463 -0.000413 0.001149 4C 2dyz -0.027363 -0.001195 -0.009074 -0.001082 0.004941 -0.027898 4C 2dx2y2 0.025457 0.077161 -0.016578 -0.027471 -0.021343 -0.003095 4C 2dxy -0.047006 -0.000816 -0.060774 -0.212118 -0.001648 -0.010727 4C 1f0 -0.008555 -0.002400 -0.020357 -0.046218 0.129566 0.071378 4C 1f+1 -0.005013 -0.013384 0.025714 0.086256 0.065427 0.050440 4C 1f-1 0.009865 0.003554 -0.020397 -0.103375 0.023531 0.039841 4C 1f+2 -0.001952 0.011604 -0.019091 -0.079743 0.100471 0.025476 4C 1f-2 -0.004288 0.005469 0.043121 0.201412 0.018254 0.022174 4C 1f+3 0.007539 0.002320 -0.017369 -0.049297 -0.011922 -0.003554 4C 1f-3 0.009333 -0.017853 -0.028212 -0.132192 -0.042789 -0.009503 5C 1s 0.000639 0.000596 -0.000280 -0.000078 -0.000039 -0.001176 5C 2s 0.001143 0.000635 -0.000474 -0.000185 -0.000222 -0.001818 5C 3s -0.020380 0.051060 -0.020696 -0.001573 0.013911 -0.022155 5C 4s 0.074561 -0.278390 0.088856 0.021366 -0.050091 0.189437 5C 5s 0.065418 -0.105078 0.005993 0.023844 -0.008911 -0.202558 5C 1pz -0.001536 0.001290 0.035132 -0.009582 -0.006635 0.001769 5C 1px -0.010109 0.003588 -0.111167 0.025190 -0.004795 0.002472 5C 1py 0.005873 -0.002901 -0.019785 0.006406 -0.002026 -0.015975 5C 2pz -0.013849 -0.033181 -0.115985 0.048380 -0.101673 -0.204175 5C 2px 0.189009 -0.098021 0.416746 -0.096559 -0.006611 -0.067193 5C 2py -0.049098 0.076362 0.066547 -0.051518 -0.096806 0.023149 5C 3pz -0.040661 -0.075440 -0.098566 0.044105 0.069310 0.118558 5C 3px 0.012311 -0.012210 0.296578 -0.054076 0.019872 0.048407 5C 3py 0.052906 0.101333 0.049964 -0.041889 0.044798 -0.084444 5C 1dz2 -0.004192 0.006283 0.009017 0.006924 -0.062456 -0.068057 5C 1dxz 0.000215 0.002347 -0.011433 -0.016855 -0.026577 -0.023609 5C 1dyz 0.004060 0.003650 -0.013653 0.002542 0.032458 0.024989 5C 1dx2y2 0.004692 -0.005603 -0.009410 -0.002628 -0.044113 -0.058026 5C 1dxy -0.005815 -0.000308 0.004517 -0.017158 -0.000627 -0.007994 5C 2dz2 -0.026269 0.044947 0.087005 -0.026464 0.039105 0.004192 5C 2dxz 0.012639 0.025759 -0.144490 0.020029 0.005612 0.012115 5C 2dyz 0.034925 -0.003652 -0.134967 0.030965 -0.008757 -0.029809 5C 2dx2y2 0.061716 -0.086596 -0.158491 0.053175 0.012935 -0.015546 5C 2dxy -0.035545 0.025217 0.281805 -0.048514 0.017101 -0.020570 5C 1f0 0.000766 0.012673 0.084889 -0.030187 -0.016333 -0.009089 5C 1f+1 -0.009085 0.004963 -0.108936 0.027764 -0.067952 -0.087479 5C 1f-1 0.009514 0.002389 0.094384 -0.015986 0.170434 0.216709 5C 1f+2 -0.007319 0.004572 0.048075 -0.010322 -0.008911 0.009817 5C 1f-2 -0.007015 -0.009491 -0.204336 0.048200 0.056807 0.106258 5C 1f+3 -0.001177 0.008445 -0.003569 -0.004676 0.037119 0.020220 5C 1f-3 -0.004155 -0.007544 0.114947 -0.027437 -0.079033 -0.082268 6C 1s -0.000585 0.000683 -0.000266 -0.000076 -0.000057 0.001172 6C 2s -0.001080 0.000789 -0.000450 -0.000180 -0.000248 0.001803 6C 3s 0.023740 0.048246 -0.020926 -0.001787 0.013299 0.023193 6C 4s -0.092970 -0.267948 0.088731 0.022517 -0.046064 -0.193328 6C 5s -0.069219 -0.095722 0.005742 0.024142 -0.010939 0.202344 6C 1pz -0.001372 -0.001187 -0.035114 0.009615 0.006639 0.002009 6C 1px -0.010471 -0.001754 0.111093 -0.025268 0.004819 0.002373 6C 1py 0.005744 0.002166 0.019704 -0.006428 0.002286 -0.016028 6C 2pz -0.014575 0.035688 0.115547 -0.049072 0.105805 -0.202208 6C 2px 0.197044 0.067896 -0.415831 0.097418 0.007448 -0.066600 6C 2py -0.050715 -0.070176 -0.066478 0.051709 0.097295 0.026174 6C 3pz -0.032758 0.081596 0.098829 -0.044212 -0.071337 0.115961 6C 3px 0.014027 0.009860 -0.295779 0.054321 -0.020705 0.048374 6C 3py 0.042668 -0.109664 -0.050402 0.042131 -0.043900 -0.084932 6C 1dz2 0.004818 0.005727 0.009076 0.007016 -0.064018 0.066557 6C 1dxz 0.000053 0.002608 -0.011343 -0.016761 -0.027118 0.023010 6C 1dyz -0.003976 0.004070 -0.013739 0.002494 0.033117 -0.024228 6C 1dx2y2 -0.005227 -0.004970 -0.009267 -0.002566 -0.045312 0.056917 6C 1dxy 0.005667 -0.001070 0.004694 -0.017069 -0.000641 0.007887 6C 2dz2 0.028959 0.040877 0.087047 -0.026856 0.039093 -0.003187 6C 2dxz -0.011166 0.028037 -0.144236 0.020004 0.005675 -0.011707 6C 2dyz -0.034299 0.001981 -0.134962 0.030992 -0.009344 0.030370 6C 2dx2y2 -0.066633 -0.077048 -0.158714 0.053321 0.012937 0.016103 6C 2dxy 0.038562 0.019411 0.281641 -0.048254 0.016691 0.020561 6C 1f0 0.000216 -0.012904 -0.085117 0.030138 0.016573 -0.008394 6C 1f+1 -0.009690 -0.003861 0.108637 -0.027882 0.069943 -0.086092 6C 1f-1 0.009885 -0.003217 -0.093978 0.016468 -0.175351 0.212743 6C 1f+2 -0.007576 -0.003826 -0.047899 0.010367 0.008836 0.010158 6C 1f-2 -0.007072 0.010547 0.204296 -0.048275 -0.059105 0.104672 6C 1f+3 -0.001865 -0.008392 0.003408 0.004628 -0.037725 0.019288 6C 1f-3 -0.003801 0.007504 -0.115097 0.027234 0.080986 -0.080083 7C 1s -0.000664 -0.000737 -0.000085 -0.000506 0.000002 -0.002145 7C 2s -0.001100 -0.000873 -0.000349 -0.001229 -0.000188 -0.003534 7C 3s 0.008690 -0.055971 0.020580 0.009927 0.017865 -0.010524 7C 4s -0.021646 0.298901 -0.100665 -0.039548 -0.074400 0.188399 7C 5s -0.069181 0.141996 -0.024006 -0.014577 0.004738 -0.392857 7C 1pz -0.011342 0.006582 -0.008201 -0.035675 0.000157 -0.019934 7C 1px 0.008566 -0.002155 0.027026 0.109571 -0.004746 -0.004239 7C 1py -0.003972 0.002967 0.004785 0.019775 0.005890 -0.016083 7C 2pz 0.144631 -0.148520 0.027993 0.123307 -0.085658 0.164462 7C 2px -0.187625 0.041034 -0.093627 -0.438568 -0.023954 0.055580 7C 2py 0.027056 -0.070438 -0.018337 -0.080830 0.088177 0.051765 7C 3pz -0.060315 -0.087219 0.044771 0.183585 0.043985 -0.320878 7C 3px -0.044490 -0.057415 -0.081513 -0.292792 0.038199 -0.041164 7C 3py -0.058805 -0.070076 0.000978 -0.002761 -0.050203 -0.186522 7C 1dz2 -0.000929 0.000692 0.008031 0.009591 0.054642 -0.008567 7C 1dxz 0.010333 -0.004454 -0.012708 -0.006189 0.023653 -0.000491 7C 1dyz -0.000963 0.002971 -0.005120 0.009160 -0.031018 0.027082 7C 1dx2y2 0.001276 0.007060 -0.013877 0.006396 0.036202 -0.023654 7C 1dxy 0.006895 0.005428 0.014626 -0.011809 0.005983 -0.001612 7C 2dz2 -0.017746 -0.017551 0.038317 0.159736 -0.039056 0.019046 7C 2dxz 0.080575 -0.089391 -0.060967 -0.271579 -0.000466 -0.000371 7C 2dyz 0.026059 -0.003188 -0.008928 -0.000326 0.004140 0.028122 7C 2dx2y2 -0.016153 0.078848 -0.015786 -0.026279 -0.021176 0.002409 7C 2dxy 0.046478 -0.004940 -0.060681 -0.211594 -0.001852 0.011276 7C 1f0 -0.008299 0.003571 0.020639 0.045451 -0.130492 0.068551 7C 1f+1 -0.003253 0.013900 -0.025196 -0.085104 -0.066193 0.049117 7C 1f-1 0.009320 -0.004170 0.020684 0.103968 -0.025775 0.039688 7C 1f+2 -0.003376 -0.011332 0.019225 0.079584 -0.100025 0.023194 7C 1f-2 -0.004922 -0.005161 -0.043249 -0.201523 -0.019134 0.022331 7C 1f+3 0.007053 -0.003416 0.017167 0.048598 0.011722 -0.003249 7C 1f-3 0.011450 0.016772 0.028131 0.131915 0.043035 -0.008995 8C 1s 0.000318 0.000295 0.001150 -0.000351 -0.000218 -0.001050 8C 2s 0.000416 0.000590 0.000925 -0.000393 -0.000453 -0.001003 8C 3s 0.005055 -0.006808 0.044180 -0.011096 -0.004547 -0.033956 8C 4s -0.056072 -0.010300 -0.191157 0.067466 0.043775 0.202668 8C 5s 0.075116 -0.099995 0.091645 0.009333 0.013390 -0.308106 8C 1pz 0.000816 0.001736 0.009830 -0.002471 0.003148 -0.003657 8C 1px -0.000345 -0.000989 -0.033717 0.007845 -0.000734 -0.001538 8C 1py -0.001367 -0.003053 -0.005885 0.001848 0.001846 0.001525 8C 2pz 0.018653 0.006022 -0.098047 0.002145 -0.055279 -0.030125 8C 2px 0.023528 0.020048 0.248483 -0.074261 -0.004424 -0.037249 8C 2py -0.037337 -0.002523 0.075112 -0.009955 -0.005258 0.115139 8C 3pz -0.006019 0.006621 -0.015546 0.001862 0.041772 0.003127 8C 3px -0.011343 0.005729 0.037864 -0.009450 0.006862 0.017974 8C 3py 0.019826 -0.016349 0.001691 0.003637 0.030546 -0.078931 8C 1dz2 -0.000299 0.000274 0.011200 -0.001942 0.033149 -0.039940 8C 1dxz -0.002803 -0.001091 -0.024079 0.005160 0.020255 -0.018938 8C 1dyz 0.004440 0.000929 -0.021490 0.004015 -0.026989 0.017811 8C 1dx2y2 0.001015 0.001193 -0.022883 0.003900 0.028079 -0.045296 8C 1dxy 0.002340 0.001639 0.032015 -0.008455 0.003707 -0.013958 8C 2dz2 0.001114 0.002502 0.067803 -0.014478 0.035035 -0.040220 8C 2dxz -0.008545 -0.006117 -0.108945 0.019314 0.029167 -0.028818 8C 2dyz 0.013168 -0.010485 -0.115470 0.026304 -0.049289 0.016534 8C 2dx2y2 0.002666 -0.000885 -0.141419 0.022393 0.043078 -0.082596 8C 2dxy 0.010991 0.013238 0.191268 -0.048106 0.016508 -0.035275 8C 1f0 -0.000100 -0.000338 0.011062 0.003319 -0.015291 0.025093 8C 1f+1 0.002516 0.000360 -0.038958 0.004715 -0.025205 0.024881 8C 1f-1 -0.003532 0.004762 0.063261 -0.018527 0.070368 -0.082672 8C 1f+2 -0.000978 0.004555 0.050015 -0.014759 0.001671 0.015812 8C 1f-2 -0.005053 -0.005250 -0.099810 0.027536 0.021719 -0.013549 8C 1f+3 0.004107 0.002523 0.089616 -0.013992 0.007398 -0.017393 8C 1f-3 -0.000412 0.003008 0.125531 -0.028002 -0.024171 0.039932 9C 1s 0.000398 -0.000201 0.000367 0.001292 -0.000355 0.001616 9C 2s 0.000408 -0.000382 0.000403 0.000850 -0.000564 0.001865 9C 3s 0.017132 0.002209 0.004533 0.050632 -0.008723 0.037155 9C 4s -0.112139 0.043916 -0.018768 -0.208964 0.062039 -0.241799 9C 5s 0.134246 0.054519 0.000495 0.023827 -0.026050 0.622611 9C 1pz -0.000728 -0.001236 0.003548 0.009130 -0.002833 0.006513 9C 1px 0.001085 -0.002807 -0.007288 -0.033193 0.000248 0.000417 9C 1py 0.000541 -0.001155 -0.000769 -0.007124 0.002310 0.003762 9C 2pz 0.055805 -0.042104 -0.059488 -0.133305 0.003516 0.083696 9C 2px 0.006131 0.015101 0.050717 0.239366 -0.002146 0.035833 9C 2py 0.027508 -0.026173 0.008615 0.004902 -0.051584 0.059802 9C 3pz -0.028348 -0.016092 0.001499 0.006841 -0.015888 -0.123524 9C 3px -0.007005 0.019223 0.010588 0.046560 -0.015690 -0.031844 9C 3py -0.012083 -0.003444 0.002332 0.024601 0.035950 -0.096520 9C 1dz2 -0.004351 0.000718 0.006389 0.024088 -0.029620 0.003189 9C 1dxz -0.002618 0.001127 -0.009402 -0.036425 -0.016544 0.003725 9C 1dyz -0.002667 0.003086 0.003104 0.013054 0.020613 -0.024174 9C 1dx2y2 -0.000079 -0.000863 -0.000282 -0.000095 -0.024875 0.017262 9C 1dxy -0.000811 0.001085 -0.004973 -0.026737 0.004161 -0.004704 9C 2dz2 -0.016826 0.015399 0.033021 0.146778 -0.044958 -0.000294 9C 2dxz 0.000740 -0.001553 -0.052034 -0.206636 -0.025585 0.023705 9C 2dyz -0.016596 0.008044 0.018943 0.051444 0.030901 -0.049706 9C 2dx2y2 0.002364 -0.013344 -0.010418 -0.014735 -0.034551 0.015152 9C 2dxy 0.001377 -0.008568 -0.025166 -0.152798 0.022313 -0.019152 9C 1f0 0.005864 -0.001992 -0.015073 -0.087837 0.056251 -0.018074 9C 1f+1 0.004377 0.001020 0.013686 0.081235 0.011596 0.004396 9C 1f-1 0.005744 -0.000575 -0.011615 -0.026274 0.001055 0.016829 9C 1f+2 -0.002625 0.002048 0.000168 0.012426 0.038909 -0.035671 9C 1f-2 0.003763 0.002712 0.041470 0.157193 0.007999 0.003381 9C 1f+3 -0.001921 -0.001523 0.011544 0.014459 0.003908 -0.005889 9C 1f-3 0.000005 -0.003307 -0.011909 -0.059187 -0.017772 0.014851 10H 1s -0.000986 0.001164 -0.003822 -0.022107 -0.002400 -0.017222 10H 2s -0.007898 0.017415 0.016182 0.065181 -0.013565 -0.023209 10H 3s 0.018734 0.004469 -0.011527 -0.051247 -0.000693 0.050027 10H 1pz -0.001741 0.003769 0.005250 0.022929 -0.002665 -0.005997 10H 1px 0.003298 -0.002267 -0.002083 -0.002992 0.004109 0.012852 10H 1py -0.000596 0.002769 0.001722 0.019405 -0.003905 -0.004287 11H 1s -0.002590 -0.000096 0.013301 0.040888 0.018809 0.008088 11H 2s -0.001030 -0.001409 0.031478 0.059465 0.010835 0.026721 11H 3s 0.002658 -0.007868 -0.003430 -0.013250 0.020337 0.043025 11H 1pz -0.003006 0.000382 0.008038 0.020118 0.003158 0.000169 11H 1px -0.000968 -0.000070 0.008301 0.021876 0.008107 0.007014 11H 1py -0.000577 -0.001294 -0.009523 -0.019620 -0.009763 -0.006213 12H 1s -0.001934 0.000790 0.006972 0.055742 -0.017022 -0.015684 12H 2s -0.001396 0.002508 -0.001938 0.060340 -0.021659 -0.012849 12H 3s 0.009218 -0.011603 0.004744 -0.007595 -0.011596 0.039603 12H 1pz -0.001667 -0.002254 -0.000066 -0.020124 0.007760 0.003061 12H 1px -0.000563 -0.000465 0.002756 0.022506 -0.005310 -0.002275 12H 1py -0.002238 0.001068 0.001685 0.030209 -0.012153 -0.013858 13H 1s -0.003085 0.000787 -0.023341 0.003128 -0.004212 0.003528 13H 2s 0.004434 -0.005219 0.059406 -0.015110 -0.012355 -0.017277 13H 3s 0.003362 0.005812 -0.051947 0.008839 -0.008410 -0.029495 13H 1pz -0.000093 -0.000543 0.019990 -0.003777 -0.005466 -0.005030 13H 1px -0.000203 -0.000049 0.006974 0.000834 0.003214 0.000057 13H 1py 0.000088 -0.000092 -0.016748 0.004249 0.000441 0.000710 14H 1s -0.001505 -0.000516 0.052955 -0.006698 -0.013039 -0.013436 14H 2s 0.000812 -0.003612 0.042499 0.006218 -0.025526 -0.043872 14H 3s 0.007376 0.013314 0.000887 -0.006144 -0.014240 -0.034205 14H 1pz -0.000627 -0.001033 0.006289 0.000842 -0.007475 -0.008540 14H 1px -0.000646 -0.000540 0.032641 -0.002087 -0.011540 -0.015656 14H 1py -0.000643 -0.000673 0.015564 0.000729 -0.004722 -0.005682 15H 1s 0.001890 0.001627 0.028432 -0.009733 0.024404 0.035445 15H 2s 0.007498 0.007569 0.039992 -0.019858 0.013848 0.029968 15H 3s 0.000363 0.009175 -0.018714 0.001314 0.023268 -0.009426 15H 1pz -0.002865 -0.000928 -0.016960 0.007112 -0.014138 -0.018500 15H 1px 0.000079 -0.000174 -0.000502 0.000881 0.001131 0.003928 15H 1py -0.001340 -0.001598 -0.019287 0.007441 -0.007414 -0.018398 16H 1s 0.084662 -0.088524 0.007488 0.006781 0.001550 0.003384 16H 2s 0.242958 -0.291580 0.017409 -0.024733 0.003353 -0.048354 16H 3s -0.021220 0.028387 0.000730 0.002848 -0.000683 0.008038 16H 1pz 0.052503 -0.057344 0.009959 -0.001573 0.000591 -0.007818 16H 1px -0.124337 0.123065 -0.022920 -0.016024 -0.001373 -0.012368 16H 1py 0.210090 -0.242038 0.006499 -0.001248 0.004163 -0.010488 17H 1s -0.082708 0.091369 -0.008002 -0.001530 -0.000737 0.005267 17H 2s -0.259251 0.293408 -0.008760 -0.029000 -0.006321 -0.017829 17H 3s 0.019109 -0.026291 -0.000771 -0.001231 0.000892 0.000473 17H 1pz -0.066003 0.069270 -0.011463 0.000381 -0.000624 0.006646 17H 1px 0.114984 -0.114363 0.025730 0.020312 0.001505 0.004445 17H 1py -0.207242 0.240439 -0.003811 0.001294 -0.002890 0.010175 18H 1s 0.092509 0.082316 -0.007433 -0.001557 -0.000557 -0.005264 18H 2s 0.287956 0.262402 -0.009910 -0.030295 -0.006272 0.016737 18H 3s -0.021668 -0.023790 -0.000856 -0.001258 0.000953 -0.000065 18H 1pz -0.066870 -0.055948 0.010891 -0.000283 0.000403 0.006236 18H 1px 0.127049 0.101516 -0.026152 -0.021440 -0.001638 0.004731 18H 1py -0.233631 -0.218325 0.002980 -0.001572 0.002276 0.011017 19H 1s -0.093673 -0.078955 0.007533 0.007060 0.001550 -0.003284 19H 2s -0.274407 -0.265097 0.014389 -0.024912 0.001869 0.048995 19H 3s 0.024973 0.026695 0.000712 0.002816 -0.000359 -0.008259 19H 1pz 0.052824 0.046441 -0.008752 0.001499 -0.000302 -0.007542 19H 1px -0.138568 -0.111358 0.021700 0.016378 0.001611 -0.012587 19H 1py 0.235042 0.218002 -0.006297 0.001275 -0.003653 -0.011515 20H 1s -0.001848 0.001956 0.029187 -0.010012 0.025166 -0.034875 20H 2s -0.006905 0.008858 0.041019 -0.020302 0.014884 -0.030060 20H 3s 0.000510 0.008843 -0.018956 0.001147 0.023071 0.010317 20H 1pz -0.002765 0.001427 0.017488 -0.007320 0.014641 -0.018296 20H 1px 0.000159 0.000107 0.000109 -0.000724 -0.001358 0.004071 20H 1py -0.001284 0.001799 0.019618 -0.007579 0.007840 -0.018287 21H 1s 0.001235 -0.000583 0.053126 -0.006802 -0.013533 0.013303 21H 2s -0.001445 -0.003379 0.043593 0.005872 -0.026428 0.043260 21H 3s -0.005110 0.014491 0.000391 -0.005790 -0.014948 0.033810 21H 1pz -0.000496 0.001078 -0.006945 -0.000774 0.007744 -0.008422 21H 1px -0.000379 0.000535 -0.032883 0.002225 0.011892 -0.015375 21H 1py -0.000492 0.000824 -0.015573 -0.000658 0.004948 -0.005727 22H 1s 0.003186 0.000234 -0.022911 0.003159 -0.004058 -0.003813 22H 2s -0.005233 -0.004901 0.060718 -0.015207 -0.012410 0.016146 22H 3s -0.002089 0.006207 -0.052561 0.008868 -0.008734 0.029388 22H 1pz 0.000129 0.000671 -0.020281 0.003795 0.005486 -0.004679 22H 1px -0.000174 0.000050 -0.006494 -0.000815 -0.003128 -0.000226 22H 1py -0.000098 -0.000010 0.017139 -0.004383 -0.000431 0.000568 23H 1s 0.001950 0.000830 0.007103 0.055865 -0.017577 0.015191 23H 2s 0.001672 0.002510 -0.001613 0.062373 -0.021497 0.011815 23H 3s -0.010106 -0.011094 0.004276 -0.009273 -0.010762 -0.039610 23H 1pz -0.001364 0.002456 0.000107 0.020220 -0.007940 0.002832 23H 1px -0.000457 0.000476 -0.002759 -0.021998 0.005171 -0.001921 23H 1py -0.002326 -0.001022 -0.001898 -0.031342 0.012454 -0.013469 24H 1s 0.002584 -0.000387 0.013650 0.041868 0.018666 -0.007531 24H 2s 0.000830 -0.001680 0.031835 0.060034 0.011692 -0.026613 24H 3s -0.003310 -0.007562 -0.003750 -0.013459 0.021087 -0.042833 24H 1pz -0.002989 -0.000102 -0.008051 -0.020100 -0.003112 0.000067 24H 1px -0.000943 0.000216 -0.008730 -0.022943 -0.008352 0.006943 24H 1py -0.000400 0.001233 0.009543 0.019513 0.009758 -0.005852 25H 1s 0.001190 0.001033 -0.003792 -0.021585 -0.002700 0.017228 25H 2s 0.009831 0.016520 0.016417 0.066181 -0.013450 0.022480 25H 3s -0.017536 0.005753 -0.011831 -0.051587 0.000918 -0.050121 25H 1pz -0.002146 -0.003566 -0.005436 -0.023394 0.002665 -0.005910 25H 1px 0.003564 0.001931 0.002086 0.003499 -0.004246 0.012682 25H 1py -0.000833 -0.002642 -0.001709 -0.019244 0.003864 -0.003932 26O 1s 0.000210 -0.000291 0.000500 0.001710 -0.000094 -0.001099 26O 2s 0.000926 -0.001190 0.001516 0.004813 -0.000241 -0.003720 26O 3s -0.016184 0.020552 -0.011703 -0.024384 -0.000278 0.031504 26O 4s 0.058744 -0.067763 0.031960 0.057413 0.005586 -0.057522 26O 5s 0.089380 -0.114156 -0.010958 -0.192374 0.022448 0.111564 26O 1pz -0.001514 -0.002417 -0.003138 0.003870 0.012169 0.009042 26O 1px 0.003750 -0.000409 0.010543 0.050178 0.005324 -0.002655 26O 1py 0.002671 -0.001061 0.013878 0.018076 -0.019532 -0.008970 26O 2pz 0.002508 0.015312 0.003145 0.001647 -0.030370 -0.030974 26O 2px -0.045991 0.037204 -0.026700 -0.067158 -0.020600 -0.010183 26O 2py -0.020383 0.020854 -0.026687 -0.020252 0.041122 0.010683 26O 3pz 0.013756 0.024295 0.030122 0.156554 0.007837 0.066937 26O 3px -0.035377 0.066797 0.023252 0.167764 -0.001813 0.010315 26O 3py -0.008508 0.065413 0.051254 0.158991 -0.032137 0.026881 26O 1dz2 0.000425 -0.002136 -0.001199 -0.069702 -0.033631 -0.020821 26O 1dxz -0.002054 0.002260 -0.000806 0.008294 0.022538 0.015347 26O 1dyz -0.006520 -0.002129 -0.028148 -0.071466 0.037564 0.007833 26O 1dx2y2 0.002836 -0.003488 0.006971 0.031804 0.020855 0.007483 26O 1dxy 0.005956 -0.006608 0.016835 0.003484 -0.058573 -0.032603 26O 2dz2 -0.008709 0.008790 -0.006021 -0.003850 -0.003410 -0.005460 26O 2dxz -0.000755 -0.005760 0.000485 -0.003468 0.002903 0.003334 26O 2dyz -0.001362 -0.002721 -0.006589 -0.036074 0.003715 -0.000655 26O 2dx2y2 0.011277 -0.010418 -0.001294 -0.017646 0.002756 0.004840 26O 2dxy 0.009300 -0.013941 -0.003824 -0.027666 0.000931 0.001663 26O 1f0 0.002058 0.004080 0.053529 0.055579 0.026128 0.007082 26O 1f+1 -0.003663 0.010375 0.059039 0.141488 0.177224 0.123612 26O 1f-1 0.000442 -0.001556 0.044870 0.140475 0.020918 0.002255 26O 1f+2 -0.007795 -0.016471 -0.021341 -0.314922 0.024704 -0.011907 26O 1f-2 0.020571 0.007281 0.056244 0.196566 -0.171583 -0.053907 26O 1f+3 -0.005889 -0.004820 -0.045488 -0.071733 0.073900 0.034379 26O 1f-3 0.006205 -0.007680 -0.026193 -0.072153 -0.195312 -0.088403 27O 1s -0.000451 0.000412 0.002129 -0.000597 0.000202 0.001029 27O 2s -0.001881 0.001688 0.006277 -0.001796 0.000670 0.003307 27O 3s 0.027715 -0.026566 -0.036321 0.012691 -0.007075 -0.025917 27O 4s -0.090247 0.087536 0.071811 -0.030117 0.021455 0.038622 27O 5s -0.166092 0.257250 -0.264715 0.036209 -0.013153 -0.054908 27O 1pz -0.001315 0.000836 -0.005296 -0.006729 -0.021957 -0.029766 27O 1px -0.004932 0.010076 0.055688 -0.015552 -0.000787 0.001636 27O 1py -0.001938 -0.000809 -0.008864 -0.004053 -0.015103 -0.017627 27O 2pz -0.000081 0.000323 0.010616 0.010352 0.052331 0.073482 27O 2px 0.062187 -0.083452 -0.061309 0.023576 -0.001001 0.012635 27O 2py -0.006160 0.016723 -0.002824 0.009084 0.033722 0.037676 27O 3pz -0.009029 0.014012 0.062335 -0.030672 -0.029445 -0.053709 27O 3px 0.084723 -0.086895 0.216594 -0.028047 -0.001429 0.000871 27O 3py -0.018562 -0.015072 -0.166795 0.014971 -0.017011 -0.008330 27O 1dz2 0.005248 -0.003026 0.001269 0.018275 0.054837 0.063213 27O 1dxz -0.001276 -0.002431 -0.011568 -0.004799 -0.059957 -0.079472 27O 1dyz -0.002245 0.003258 0.077210 -0.023563 -0.002637 -0.015318 27O 1dx2y2 -0.001436 0.005024 0.072257 -0.011203 0.008089 0.009093 27O 1dxy -0.000433 0.001453 0.012289 -0.014475 -0.048799 -0.067543 27O 2dz2 0.011879 -0.012924 0.025408 -0.007475 0.003549 0.007874 27O 2dxz 0.001211 -0.002969 0.002883 -0.000472 -0.003283 -0.005021 27O 2dyz 0.000495 0.001733 0.032148 -0.006524 0.000064 -0.003430 27O 2dx2y2 -0.016807 0.020971 -0.015373 0.000581 0.002269 -0.005417 27O 2dxy 0.009340 -0.008410 0.022219 -0.004478 0.000629 -0.000609 27O 1f0 -0.001516 0.000799 0.018574 -0.007733 -0.033222 -0.050392 27O 1f+1 -0.005737 -0.009414 -0.055416 0.033997 -0.274545 -0.340346 27O 1f-1 -0.006248 0.003397 0.030026 -0.066272 -0.052504 -0.085188 27O 1f+2 0.009276 -0.003953 -0.179531 0.061149 0.134868 0.175130 27O 1f-2 0.002801 -0.003189 -0.355426 0.051682 0.035885 0.098597 27O 1f+3 0.011410 0.003207 0.097313 -0.049779 0.101869 0.109328 27O 1f-3 -0.006047 -0.002316 -0.081552 0.032437 -0.169242 -0.205076 28O 1s -0.000637 -0.000323 -0.000466 -0.002337 0.000063 -0.001055 28O 2s -0.002557 -0.001428 -0.001341 -0.006954 0.000206 -0.003568 28O 3s 0.036434 0.025792 0.006614 0.043415 -0.002836 0.030210 28O 4s -0.119470 -0.093191 -0.011325 -0.087904 0.012092 -0.057188 28O 5s -0.193041 -0.260583 0.088849 0.292134 -0.004022 0.153123 28O 1pz -0.003387 -0.005552 -0.003130 -0.034104 0.012796 0.003993 28O 1px 0.004772 0.007173 0.013095 0.047487 0.006513 0.007442 28O 1py 0.002666 -0.000710 -0.007596 -0.002592 -0.019593 -0.008205 28O 2pz 0.047438 0.057536 -0.003419 0.027628 -0.029934 -0.024974 28O 2px -0.060919 -0.067573 -0.013646 -0.062399 -0.010477 -0.004252 28O 2py -0.000648 0.009301 0.009315 -0.001942 0.042760 0.014151 28O 3pz 0.077518 0.043489 -0.069116 -0.226534 0.019497 0.043799 28O 3px -0.094301 -0.077358 0.045720 0.114252 0.008924 0.027506 28O 3py 0.014793 -0.017953 -0.042637 -0.095406 -0.021863 0.018881 28O 1dz2 0.002240 0.002616 0.000891 0.033638 0.005918 0.003768 28O 1dxz 0.005532 0.001329 0.004525 0.059430 -0.037971 -0.018492 28O 1dyz 0.001891 0.001674 0.018661 0.073991 -0.020997 -0.020052 28O 1dx2y2 0.000587 -0.004383 -0.019285 -0.029006 -0.045493 -0.026913 28O 1dxy -0.002364 0.000733 0.018010 0.035628 0.055636 0.020368 28O 2dz2 -0.001699 -0.001353 0.005982 0.017234 -0.003493 -0.001469 28O 2dxz 0.023724 0.023899 -0.006337 -0.022921 -0.002078 -0.006962 28O 2dyz -0.002693 -0.001269 0.007111 0.032766 -0.000595 -0.001875 28O 2dx2y2 -0.014310 -0.014605 0.007530 0.017714 -0.000525 0.002488 28O 2dxy 0.003293 0.003335 0.002210 0.012433 0.000064 -0.000625 28O 1f0 -0.004061 0.007458 -0.085347 -0.038800 0.123586 0.080682 28O 1f+1 -0.000520 0.004058 -0.036706 -0.090596 0.077902 0.041632 28O 1f-1 -0.003692 -0.007695 -0.075615 -0.308633 -0.032395 -0.003419 28O 1f+2 -0.003579 -0.002617 -0.023972 0.060733 -0.043622 -0.036565 28O 1f-2 0.003846 -0.001923 -0.009225 0.055520 -0.094668 -0.072319 28O 1f+3 -0.022387 0.007243 -0.038083 -0.111178 0.209666 0.098573 28O 1f-3 0.007190 -0.005264 -0.037602 -0.234341 -0.147207 -0.039806 29O 1s 0.000117 0.000024 0.000002 -0.000211 -0.000012 -0.000216 29O 2s 0.000402 0.000019 -0.000015 -0.000552 -0.000058 -0.000618 29O 3s -0.004770 0.000732 0.000676 0.002791 0.000825 0.004219 29O 4s 0.011454 -0.002648 -0.001928 -0.007610 -0.002821 -0.012817 29O 5s -0.005756 -0.001369 -0.004295 0.058442 0.004795 0.065399 29O 1pz -0.068363 0.073756 -0.005981 -0.002029 -0.001115 0.001622 29O 1px -0.024506 0.028667 -0.001535 -0.001750 -0.000136 -0.000736 29O 1py 0.006327 -0.006975 0.000214 0.001574 0.000164 -0.000941 29O 2pz 0.341591 -0.375043 0.029891 0.009699 0.005282 -0.011714 29O 2px 0.125517 -0.141776 0.008896 0.010751 0.001774 0.005205 29O 2py -0.033058 0.035731 -0.001007 -0.009865 -0.000482 -0.001095 29O 3pz 0.132729 -0.175628 -0.013491 -0.017494 0.003768 -0.018093 29O 3px 0.057911 -0.065118 -0.009094 -0.010418 0.000136 -0.009068 29O 3py -0.019111 0.018649 0.012891 -0.029370 -0.001540 -0.032742 29O 1dz2 -0.007547 0.009749 0.005108 0.004219 -0.000699 -0.000711 29O 1dxz 0.009465 -0.020810 -0.009243 -0.006603 -0.000432 -0.006061 29O 1dyz 0.011342 -0.018996 -0.008577 -0.007151 0.000001 -0.003652 29O 1dx2y2 0.006668 -0.007950 -0.005186 -0.005204 0.000959 0.000020 29O 1dxy 0.001564 -0.003134 -0.001520 -0.002902 0.000675 0.002874 29O 2dz2 -0.072477 0.082175 -0.005654 -0.001189 -0.001321 0.003795 29O 2dxz 0.066518 -0.076553 0.004429 0.003022 0.001101 -0.003768 29O 2dyz -0.113125 0.124487 -0.010244 -0.005335 -0.001598 0.003639 29O 2dx2y2 0.020554 -0.024032 0.001339 -0.000457 0.000134 -0.001603 29O 2dxy -0.051723 0.057097 -0.005888 -0.001907 -0.000968 -0.001699 29O 1f0 0.462254 -0.522847 0.019796 0.004731 0.007618 -0.016348 29O 1f+1 0.458186 -0.473677 0.062620 0.036213 0.004775 0.016727 29O 1f-1 -0.147595 0.165619 -0.015235 -0.003609 -0.002125 0.007808 29O 1f+2 0.218136 -0.280650 -0.037035 -0.028996 0.004990 -0.024821 29O 1f-2 -0.043638 0.067511 0.010746 0.012381 -0.000624 0.022356 29O 1f+3 -0.042712 0.076654 0.021492 0.025078 0.000542 0.022158 29O 1f-3 0.022152 -0.035107 -0.015079 -0.014166 0.001591 0.005622 30O 1s 0.000075 0.000189 -0.002093 0.000459 -0.000008 0.000935 30O 2s 0.000455 0.000751 -0.006212 0.001304 0.000001 0.003029 30O 3s -0.010672 -0.012897 0.041630 -0.005837 -0.001334 -0.023490 30O 4s 0.043840 0.036436 -0.103760 0.006731 0.005068 0.034795 30O 5s 0.065133 0.103845 0.209216 -0.107868 0.000790 -0.049762 30O 1pz 0.000158 0.001307 -0.024094 0.011722 -0.022613 -0.025022 30O 1px -0.003029 0.001019 0.043906 -0.006960 -0.002695 -0.010350 30O 1py -0.000943 -0.000291 0.027973 -0.001097 -0.015381 -0.020225 30O 2pz -0.015449 -0.018688 0.034855 -0.007837 0.048950 0.068905 30O 2px 0.031539 0.012786 -0.076916 0.001403 0.007108 0.012486 30O 2py 0.016983 0.016968 -0.038593 -0.008894 0.037847 0.039112 30O 3pz 0.002951 -0.024058 -0.133831 0.052837 -0.034026 -0.048265 30O 3px 0.016466 0.036840 0.058628 -0.025927 -0.007844 -0.011812 30O 3py 0.003066 0.068192 0.195174 -0.038245 -0.013326 -0.014145 30O 1dz2 0.000527 -0.003300 -0.020379 0.001860 -0.026818 -0.042043 30O 1dxz 0.001798 0.000945 0.039546 -0.024040 0.076857 0.093106 30O 1dyz 0.000159 -0.008107 -0.048457 0.017199 -0.011797 -0.020170 30O 1dx2y2 0.003081 0.001556 -0.036631 -0.000329 0.015206 0.022092 30O 1dxy 0.007248 -0.000618 -0.077909 0.010099 0.050507 0.064649 30O 2dz2 -0.002477 -0.001431 -0.013706 0.005358 0.000682 0.000077 30O 2dxz -0.007264 -0.007522 -0.008003 0.006825 0.002226 0.010577 30O 2dyz -0.004852 -0.009270 -0.042136 0.010693 -0.004570 -0.002846 30O 2dx2y2 0.003616 -0.000103 -0.004128 0.001115 -0.000980 -0.003201 30O 2dxy 0.008199 0.008192 -0.004569 -0.001153 0.002293 -0.002142 30O 1f0 -0.010226 0.020513 0.213431 -0.073678 -0.144298 -0.186278 30O 1f+1 0.002621 -0.013753 -0.165198 0.029826 -0.164507 -0.215550 30O 1f-1 -0.005690 0.004503 0.127804 0.043181 0.021020 0.037952 30O 1f+2 0.005177 0.005855 0.124791 -0.027314 0.210158 0.273518 30O 1f-2 0.001005 -0.005793 0.000166 0.014482 -0.046299 -0.068901 30O 1f+3 0.000195 -0.015474 -0.235617 0.058386 -0.060791 -0.084171 30O 1f-3 -0.016265 0.017164 0.169216 -0.072221 -0.199204 -0.228476 31O 1s -0.000053 0.000208 -0.002092 0.000456 0.000005 -0.000932 31O 2s -0.000384 0.000843 -0.006207 0.001292 0.000042 -0.003019 31O 3s 0.009908 -0.014701 0.041537 -0.005652 -0.001615 0.023340 31O 4s -0.042837 0.043409 -0.103232 0.006137 0.005308 -0.034196 31O 5s -0.059514 0.116034 0.207905 -0.108740 0.000101 0.049656 31O 1pz -0.000035 -0.001379 0.024055 -0.011688 0.023207 -0.024572 31O 1px -0.002952 -0.000455 -0.043866 0.006977 0.002889 -0.010173 31O 1py -0.001006 0.000507 -0.028004 0.001121 0.015812 -0.019718 31O 2pz -0.014523 0.021117 -0.034768 0.007611 -0.050548 0.068024 31O 2px 0.031054 -0.017890 0.076814 -0.001253 -0.007302 0.011939 31O 2py 0.016757 -0.019577 0.038743 0.009015 -0.038668 0.037709 31O 3pz 0.002591 0.025187 0.133571 -0.053457 0.035027 -0.047491 31O 3px 0.015001 -0.041470 -0.058266 0.026415 0.008004 -0.011309 31O 3py -0.001948 -0.069584 -0.195087 0.038685 0.013982 -0.013005 31O 1dz2 -0.000712 -0.003303 -0.020403 0.001919 -0.027805 0.041496 31O 1dxz -0.001828 0.001007 0.039431 -0.024068 0.078973 -0.091258 31O 1dyz -0.000768 -0.008000 -0.048260 0.017203 -0.012206 0.019984 31O 1dx2y2 -0.003019 0.002084 -0.036657 -0.000279 0.015715 -0.021717 31O 1dxy -0.007017 0.000165 -0.078003 0.010133 0.051991 -0.063291 31O 2dz2 0.002413 -0.001836 -0.013675 0.005373 0.000682 -0.000062 31O 2dxz 0.006998 -0.008713 -0.008007 0.006911 0.002452 -0.010556 31O 2dyz 0.004449 -0.009847 -0.042106 0.010802 -0.004609 0.002782 31O 2dx2y2 -0.003643 0.000686 -0.004153 0.001116 -0.001028 0.003183 31O 2dxy -0.007875 0.009381 -0.004629 -0.001246 0.002240 0.002289 31O 1f0 -0.011965 -0.019610 -0.213996 0.073173 0.148388 -0.182139 31O 1f+1 0.002962 0.013012 0.164677 -0.030261 0.169435 -0.212084 31O 1f-1 -0.005406 -0.003138 -0.127291 -0.042407 -0.021637 0.037468 31O 1f+2 0.005200 -0.005834 -0.123971 0.027844 -0.216179 0.268440 31O 1f-2 0.001353 0.005347 -0.000342 -0.014544 0.047918 -0.067903 31O 1f+3 0.000479 0.014977 0.235192 -0.058675 0.062835 -0.083331 31O 1f-3 -0.017851 -0.016002 -0.169821 0.071655 0.204550 -0.223260 32O 1s -0.000126 -0.000008 -0.000015 -0.000215 -0.000018 0.000215 32O 2s -0.000447 -0.000086 -0.000065 -0.000563 -0.000075 0.000616 32O 3s 0.005378 0.001677 0.000984 0.002843 0.000966 -0.004187 32O 4s -0.013782 -0.005536 -0.002605 -0.007722 -0.003281 0.012684 32O 5s 0.011401 0.006818 -0.000507 0.059473 0.006494 -0.065027 32O 1pz -0.076164 -0.066293 0.005794 0.002208 0.001032 0.001703 32O 1px -0.027432 -0.025745 0.001316 0.001721 0.000126 -0.000713 32O 1py 0.004900 0.004291 -0.000163 -0.001554 -0.000125 -0.000924 32O 2pz 0.381481 0.337724 -0.028620 -0.010677 -0.004724 -0.012050 32O 2px 0.138872 0.126094 -0.008426 -0.011014 -0.001739 0.005079 32O 2py -0.026341 -0.022468 0.000892 0.009849 0.000368 -0.001269 32O 3pz 0.151112 0.159697 0.013922 0.017050 -0.003014 -0.018563 32O 3px 0.065786 0.061012 0.009789 0.010361 0.000421 -0.009084 32O 3py -0.016094 -0.011891 -0.011606 0.029969 0.002178 -0.032918 32O 1dz2 0.008804 0.009376 0.005289 0.004614 -0.000677 0.000393 32O 1dxz -0.012202 -0.019656 -0.008990 -0.006831 -0.000639 0.006269 32O 1dyz -0.013713 -0.017916 -0.008418 -0.007510 -0.000142 0.003881 32O 1dx2y2 -0.007687 -0.007497 -0.005102 -0.005152 0.000896 0.000126 32O 1dxy -0.002165 -0.003411 -0.001681 -0.003191 0.000722 -0.002626 32O 2dz2 0.075529 0.069169 -0.004810 -0.001029 -0.001093 -0.003809 32O 2dxz -0.077605 -0.071726 0.004612 0.003303 0.000955 0.003997 32O 2dyz 0.128113 0.113644 -0.009944 -0.005705 -0.001443 -0.003796 32O 2dx2y2 -0.026644 -0.024936 0.001378 -0.000358 0.000099 0.001700 32O 2dxy 0.054895 0.048761 -0.005676 -0.002013 -0.000906 0.001748 32O 1f0 0.528353 0.480329 -0.020854 -0.006242 -0.006836 -0.017613 32O 1f+1 0.504118 0.421650 -0.058885 -0.036881 -0.004773 0.016576 32O 1f-1 -0.121731 -0.108404 0.015005 0.004593 0.001337 0.006213 32O 1f+2 0.252932 0.261711 0.038097 0.030927 -0.003855 -0.027579 32O 1f-2 -0.026470 -0.039435 -0.011121 -0.012744 -0.000176 0.022331 32O 1f+3 -0.053913 -0.074399 -0.022891 -0.026659 -0.001364 0.023240 32O 1f-3 0.019778 0.026339 0.014611 0.013594 -0.001374 0.006229 33O 1s 0.000589 -0.000364 -0.000469 -0.002328 0.000025 0.001058 33O 2s 0.002349 -0.001601 -0.001350 -0.006928 0.000084 0.003578 33O 3s -0.032825 0.028470 0.006767 0.043284 -0.001809 -0.030319 33O 4s 0.106377 -0.102357 -0.011851 -0.087868 0.010132 0.057685 33O 5s 0.161567 -0.276342 0.088572 0.293683 0.000670 -0.153013 33O 1pz -0.002857 0.006015 0.003146 0.034091 -0.012862 0.003654 33O 1px 0.003956 -0.007502 -0.013043 -0.047231 -0.006654 0.007397 33O 1py 0.002766 0.000337 0.007521 0.002576 0.019631 -0.007828 33O 2pz 0.040501 -0.062060 0.003151 -0.027652 0.030522 -0.024030 33O 2px -0.052501 0.072649 0.013691 0.061666 0.010356 -0.004298 33O 2py -0.001796 -0.009171 -0.009213 0.002059 -0.042682 0.013326 33O 3pz 0.070655 -0.048258 0.068631 0.224449 -0.020289 0.041976 33O 3px -0.083530 0.083652 -0.045547 -0.114373 -0.009626 0.027732 33O 3py 0.016647 0.016872 0.042850 0.094929 0.021141 0.018434 33O 1dz2 -0.001887 0.002900 0.000917 0.033571 0.005966 -0.003758 33O 1dxz -0.005450 0.002122 0.004638 0.059337 -0.038345 0.017711 33O 1dyz -0.001512 0.001770 0.018714 0.074210 -0.021467 0.019539 33O 1dx2y2 -0.001097 -0.004138 -0.019167 -0.029082 -0.045867 0.026033 33O 1dxy 0.002325 0.000480 0.017823 0.035573 0.055649 -0.019308 33O 2dz2 0.001478 -0.001536 0.005934 0.017067 -0.003553 0.001421 33O 2dxz -0.020671 0.025952 -0.006231 -0.022839 -0.002311 0.006902 33O 2dyz 0.002535 -0.001626 0.007109 0.032861 -0.000655 0.001823 33O 2dx2y2 0.012460 -0.015764 0.007489 0.017651 -0.000386 -0.002540 33O 2dxy -0.002881 0.003759 0.002228 0.012380 -0.000018 0.000620 33O 1f0 -0.005021 -0.007376 0.085252 0.036704 -0.125129 0.078172 33O 1f+1 -0.001100 -0.003964 0.036582 0.089987 -0.078489 0.039890 33O 1f-1 -0.002484 0.007877 0.075903 0.308081 0.031584 -0.003160 33O 1f+2 -0.003335 0.002232 0.023360 -0.061855 0.044796 -0.035832 33O 1f-2 0.003799 0.001195 0.008697 -0.056459 0.096318 -0.070518 33O 1f+3 -0.023082 -0.005142 0.038410 0.110035 -0.210745 0.094156 33O 1f-3 0.007844 0.004577 0.037368 0.234656 0.146619 -0.037103 34O 1s 0.000464 0.000332 0.002130 -0.000600 0.000218 -0.001023 34O 2s 0.001952 0.001365 0.006279 -0.001805 0.000720 -0.003286 34O 3s -0.029133 -0.021974 -0.036428 0.012766 -0.007403 0.025587 34O 4s 0.094930 0.072587 0.072424 -0.030319 0.021679 -0.037414 34O 5s 0.187265 0.232873 -0.264581 0.036567 -0.014498 0.054173 34O 1pz -0.001527 -0.000912 0.005208 0.006631 0.022609 -0.029280 34O 1px -0.005766 -0.009441 -0.055639 0.015536 0.000820 0.001737 34O 1py -0.001866 0.001052 0.008856 0.003992 0.015491 -0.017262 34O 2pz 0.000200 0.000347 -0.010447 -0.010207 -0.053944 0.072317 34O 2px 0.068732 0.074364 0.061478 -0.023466 0.000438 0.012783 34O 2py -0.007627 -0.015982 0.002704 -0.009047 -0.034556 0.036809 34O 3pz -0.010055 -0.012927 -0.061910 0.030977 0.030567 -0.052776 34O 3px 0.088429 0.071359 -0.215740 0.028141 0.000949 0.001607 34O 3py -0.015009 0.019394 0.166413 -0.014531 0.017560 -0.008893 34O 1dz2 -0.005818 -0.002877 0.001090 0.017927 0.056349 -0.061951 34O 1dxz 0.001291 -0.002397 -0.011464 -0.004684 -0.061704 0.078014 34O 1dyz 0.002330 0.002973 0.077293 -0.023494 -0.002883 0.015115 34O 1dx2y2 0.001540 0.004639 0.072268 -0.011381 0.008292 -0.009030 34O 1dxy 0.000372 0.001387 0.012486 -0.014343 -0.050311 0.066355 34O 2dz2 -0.012907 -0.011205 0.025333 -0.007513 0.003757 -0.007877 34O 2dxz -0.001426 -0.002670 0.002829 -0.000522 -0.003407 0.004936 34O 2dyz -0.000477 0.001731 0.032207 -0.006534 0.000012 0.003385 34O 2dx2y2 0.018296 0.018315 -0.015244 0.000584 0.002102 0.005604 34O 2dxy -0.010082 -0.007261 0.022179 -0.004523 0.000617 0.000595 34O 1f0 -0.001760 -0.000618 -0.018667 0.007728 0.034018 -0.049277 34O 1f+1 -0.005309 0.009478 0.054890 -0.034043 0.282438 -0.334082 34O 1f-1 -0.006684 -0.003248 -0.030636 0.065628 0.054338 -0.083856 34O 1f+2 0.009152 0.002870 0.179884 -0.060872 -0.138742 0.171437 34O 1f-2 0.001561 0.002081 0.355107 -0.052035 -0.037668 0.096879 34O 1f+3 0.011389 -0.004758 -0.097396 0.049646 -0.104502 0.107113 34O 1f-3 -0.005911 0.003069 0.081159 -0.032507 0.173946 -0.201231 35O 1s -0.000245 -0.000271 0.000499 0.001698 -0.000133 0.001098 35O 2s -0.001069 -0.001102 0.001508 0.004765 -0.000370 0.003720 35O 3s 0.018645 0.019013 -0.011473 -0.023685 0.000852 -0.031626 35O 4s -0.067161 -0.062349 0.030831 0.054836 0.003427 0.057962 35O 5s -0.099273 -0.105221 -0.011599 -0.193298 0.024861 -0.110738 35O 1pz -0.001272 0.002494 0.003196 -0.004030 -0.012369 0.008836 35O 1px 0.003615 0.000047 -0.010486 -0.050038 -0.005185 -0.002653 35O 1py 0.002859 0.000888 -0.013856 -0.017942 0.019588 -0.008488 35O 2pz 0.000828 -0.015194 -0.003306 -0.001321 0.031050 -0.030471 35O 2px -0.049547 -0.032688 0.026057 0.065906 0.020598 -0.009919 35O 2py -0.022798 -0.018882 0.026384 0.019489 -0.041009 0.009649 35O 3pz 0.009568 -0.025609 -0.030259 -0.156113 -0.009529 0.067659 35O 3px -0.044258 -0.064856 -0.023860 -0.168065 0.001290 0.011154 35O 3py -0.016518 -0.064908 -0.051766 -0.159561 0.030892 0.028699 35O 1dz2 -0.000688 -0.002105 -0.000945 -0.069466 -0.034078 0.020241 35O 1dxz 0.002414 0.002205 -0.000768 0.008477 0.022892 -0.014960 35O 1dyz 0.006281 -0.002673 -0.028109 -0.071257 0.037380 -0.006912 35O 1dx2y2 -0.003347 -0.003282 0.006934 0.031947 0.020818 -0.007143 35O 1dxy -0.006510 -0.005772 0.016963 0.003470 -0.058977 0.031390 35O 2dz2 0.009661 0.007959 -0.005861 -0.003599 -0.003556 0.005395 35O 2dxz 0.000032 -0.005647 0.000488 -0.003513 0.002960 -0.003244 35O 2dyz 0.001051 -0.002719 -0.006593 -0.036145 0.003622 0.000822 35O 2dx2y2 -0.012414 -0.009432 -0.001403 -0.017720 0.002849 -0.004725 35O 2dxy -0.010800 -0.012858 -0.003962 -0.027892 0.000964 -0.001575 35O 1f0 0.001695 -0.004091 -0.053327 -0.054600 -0.026276 0.006815 35O 1f+1 -0.004579 -0.009145 -0.057958 -0.139354 -0.180031 0.120610 35O 1f-1 0.000848 0.001683 -0.044804 -0.139335 -0.020964 0.002092 35O 1f+2 -0.005775 0.017467 0.021729 0.315431 -0.023438 -0.013150 35O 1f-2 0.019868 -0.009318 -0.056781 -0.195971 0.171000 -0.049800 35O 1f+3 -0.005249 0.005185 0.045487 0.070942 -0.074020 0.032684 35O 1f-3 0.006912 0.006377 0.025500 0.070803 0.196449 -0.084623 648 649 650 651 652 653 5.49351 5.50028 5.53359 5.53509 5.56731 5.56881 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s 0.000004 0.000019 -0.000024 0.000062 -0.000857 -0.001108 0Rh 2s -0.000170 -0.000222 0.000525 -0.000732 0.010227 0.016814 0Rh 3s -0.000077 -0.000016 0.000170 -0.000062 0.000894 0.003293 0Rh 4s 0.000964 0.001309 -0.003012 0.004333 -0.060550 -0.098244 0Rh 5s -0.002697 -0.003473 0.008240 -0.011670 0.162985 0.266876 0Rh 6s 0.004123 0.004489 -0.011941 0.015457 -0.218455 -0.364324 0Rh 7s -0.007434 -0.013628 0.024752 -0.030002 0.583813 0.949094 0Rh 8s 0.001062 0.010986 0.030435 -0.036828 -0.194158 0.264635 0Rh 1pz 0.009404 0.000749 -0.012121 -0.047039 0.008634 0.001292 0Rh 1px 0.004443 0.001035 -0.012252 -0.011407 -0.030064 -0.006522 0Rh 1py -0.007418 0.000557 0.048294 -0.014817 -0.006608 -0.002504 0Rh 2pz -0.038861 -0.003090 0.049983 0.194014 -0.035622 -0.005355 0Rh 2px -0.018370 -0.004270 0.050550 0.047020 0.124061 0.027013 0Rh 2py 0.030655 -0.002283 -0.199158 0.061100 0.027268 0.010384 0Rh 3pz 0.122014 0.009624 -0.154724 -0.601451 0.110555 0.017014 0Rh 3px 0.057871 0.013272 -0.157072 -0.145158 -0.385222 -0.085588 0Rh 3py -0.096221 0.006831 0.616780 -0.189146 -0.084653 -0.033173 0Rh 4pz -0.152018 -0.011742 0.185588 0.725206 -0.134151 -0.021264 0Rh 4px -0.072654 -0.016207 0.190585 0.173015 0.467256 0.107397 0Rh 4py 0.119620 -0.007520 -0.741948 0.227088 0.102509 0.042540 0Rh 5pz 0.081645 0.005874 -0.084432 -0.340740 0.068132 0.010051 0Rh 5px 0.039797 0.008484 -0.091973 -0.076236 -0.233842 -0.055267 0Rh 5py -0.063059 0.001971 0.344599 -0.103860 -0.050599 -0.023659 0Rh 6pz -0.081988 -0.014709 0.054304 0.275000 -0.077173 0.100338 0Rh 6px -0.033972 -0.012170 0.075383 0.030227 0.207519 -0.216663 0Rh 6py 0.048386 0.012341 -0.225595 0.051329 0.046543 -0.039641 0Rh 1dz2 -0.000318 -0.003250 -0.000253 -0.003313 0.004929 0.008616 0Rh 1dxz -0.000493 -0.001686 0.001403 0.003434 0.006411 0.012275 0Rh 1dyz 0.000604 0.002164 0.000465 -0.000702 0.001232 0.002022 0Rh 1dx2y2 0.000418 -0.001959 0.000885 0.001512 -0.010015 -0.018554 0Rh 1dxy 0.000168 -0.000184 -0.005842 0.001678 -0.004114 -0.007523 0Rh 2dz2 -0.000232 -0.000567 0.000288 0.001567 -0.002795 -0.004331 0Rh 2dxz 0.000396 -0.000165 -0.000630 -0.002121 -0.003637 -0.006010 0Rh 2dyz 0.000139 0.000054 -0.000541 0.000072 -0.000631 -0.000848 0Rh 2dx2y2 0.000052 -0.000561 -0.000742 -0.000729 0.005572 0.008970 0Rh 2dxy -0.000322 -0.000127 0.002844 -0.000946 0.002178 0.003566 0Rh 3dz2 0.002643 0.018255 -0.000146 0.008670 -0.010816 -0.021523 0Rh 3dxz 0.000486 0.008876 -0.003841 -0.006597 -0.014092 -0.031505 0Rh 3dyz -0.003619 -0.010650 0.000355 0.003107 -0.003025 -0.005868 0Rh 3dx2y2 -0.002308 0.012016 -0.000743 -0.003903 0.022489 0.048052 0Rh 3dxy 0.000730 0.001478 0.014923 -0.003660 0.009804 0.019886 0Rh 4dz2 -0.006623 -0.037942 0.001666 -0.010504 0.009280 0.024349 0Rh 4dxz 0.001198 -0.018029 0.005163 0.003217 0.012121 0.037513 0Rh 4dyz 0.008552 0.020986 -0.003810 -0.006310 0.003276 0.008306 0Rh 4dx2y2 0.005571 -0.025747 -0.002422 0.004816 -0.020326 -0.057642 0Rh 4dxy -0.003257 -0.003465 -0.017516 0.003061 -0.010197 -0.024833 0Rh 5dz2 0.016753 0.051472 -0.005742 -0.009421 0.043366 0.038972 0Rh 5dxz -0.013580 0.023168 -0.000346 0.025810 0.057646 0.047022 0Rh 5dyz -0.019976 -0.025523 0.016232 0.003458 0.008071 0.000835 0Rh 5dx2y2 -0.016836 0.037941 0.015889 0.002511 -0.085549 -0.071299 0Rh 5dxy 0.014312 0.006075 -0.012211 0.006752 -0.029930 -0.024359 0Rh 1f0 -0.002512 -0.001402 -0.004929 0.000588 0.001123 -0.000836 0Rh 1f+1 -0.002820 0.001025 0.000319 0.003926 -0.000684 0.000139 0Rh 1f-1 -0.000288 0.000587 -0.004290 0.008375 0.000021 -0.000019 0Rh 1f+2 -0.000320 0.000509 -0.003935 -0.008723 -0.001022 0.000207 0Rh 1f-2 0.001132 -0.000943 -0.006423 0.000434 -0.000127 0.000017 0Rh 1f+3 -0.001394 -0.001318 0.005183 0.003024 -0.001726 0.000848 0Rh 1f-3 0.001364 -0.000229 -0.003831 0.000389 -0.000667 0.000088 1Rh 1s -0.000007 0.000019 0.000020 -0.000059 -0.000853 0.001106 1Rh 2s 0.000200 -0.000220 -0.000493 0.000712 0.010169 -0.016813 1Rh 3s 0.000078 -0.000017 -0.000172 0.000063 0.000887 -0.003304 1Rh 4s -0.001142 0.001296 0.002814 -0.004212 -0.060208 0.098230 1Rh 5s 0.003168 -0.003440 -0.007717 0.011348 0.162064 -0.266861 1Rh 6s -0.004705 0.004456 0.011304 -0.015057 -0.217240 0.364441 1Rh 7s 0.008325 -0.013562 -0.023538 0.029467 0.580645 -0.949993 1Rh 8s -0.000931 0.010561 -0.030708 0.036195 -0.194510 -0.264171 1Rh 1pz 0.009347 -0.000551 -0.012145 -0.047084 -0.008631 0.001448 1Rh 1px 0.004537 -0.001005 -0.012254 -0.011401 0.030077 -0.006582 1Rh 1py -0.007315 -0.000411 0.048330 -0.014861 0.006555 -0.002475 1Rh 2pz -0.038628 0.002277 0.050084 0.194200 0.035612 -0.005998 1Rh 2px -0.018758 0.004145 0.050562 0.046994 -0.124113 0.027263 1Rh 2py 0.030228 0.001681 -0.199305 0.061282 -0.027051 0.010265 1Rh 3pz 0.121306 -0.007110 -0.155036 -0.602026 -0.110531 0.019004 1Rh 3px 0.059071 -0.012885 -0.157119 -0.145089 0.385388 -0.086362 1Rh 3py -0.094915 -0.004980 0.617235 -0.189708 0.083985 -0.032833 1Rh 4pz -0.151204 0.008720 0.185966 0.725884 0.134151 -0.023658 1Rh 4px -0.074083 0.015743 0.190667 0.172964 -0.467466 0.108329 1Rh 4py 0.118086 0.005319 -0.742489 0.227747 -0.101720 0.042223 1Rh 5pz 0.081324 -0.004427 -0.084586 -0.341034 -0.068194 0.011183 1Rh 5px 0.040424 -0.008265 -0.092043 -0.076272 0.233957 -0.055714 1Rh 5py -0.062366 -0.000980 0.344801 -0.104142 0.050275 -0.023721 1Rh 6pz -0.081581 0.013224 0.052716 0.277165 0.077854 0.098845 1Rh 6px -0.033553 0.011972 0.074712 0.030693 -0.208616 -0.216620 1Rh 6py 0.046463 -0.012602 -0.224805 0.054016 -0.047253 -0.038591 1Rh 1dz2 0.000347 -0.003283 0.000246 0.003292 0.004922 -0.008651 1Rh 1dxz 0.000502 -0.001642 -0.001402 -0.003442 0.006373 -0.012303 1Rh 1dyz -0.000554 0.002156 -0.000489 0.000705 0.001277 -0.002078 1Rh 1dx2y2 -0.000419 -0.001955 -0.000905 -0.001517 -0.009951 0.018576 1Rh 1dxy -0.000170 -0.000152 0.005832 -0.001659 -0.004094 0.007510 1Rh 2dz2 0.000218 -0.000560 -0.000289 -0.001567 -0.002791 0.004350 1Rh 2dxz -0.000405 -0.000181 0.000628 0.002122 -0.003618 0.006020 1Rh 2dyz -0.000159 0.000053 0.000538 -0.000063 -0.000650 0.000874 1Rh 2dx2y2 -0.000043 -0.000564 0.000754 0.000724 0.005542 -0.008985 1Rh 2dxy 0.000321 -0.000141 -0.002843 0.000946 0.002166 -0.003563 1Rh 3dz2 -0.002718 0.018383 0.000186 -0.008571 -0.010805 0.021601 1Rh 3dxz -0.000491 0.008735 0.003847 0.006627 -0.013997 0.031597 1Rh 3dyz 0.003474 -0.010607 -0.000227 -0.003166 -0.003156 0.006015 1Rh 3dx2y2 0.002272 0.012012 0.000781 0.003948 0.022324 -0.048096 1Rh 3dxy -0.000717 0.001389 -0.014882 0.003571 0.009766 -0.019836 1Rh 4dz2 0.006708 -0.038174 -0.001775 0.010320 0.009281 -0.024428 1Rh 4dxz -0.001234 -0.017808 -0.005184 -0.003264 0.012018 -0.037670 1Rh 4dyz -0.008340 0.020892 0.003510 0.006487 0.003456 -0.008493 1Rh 4dx2y2 -0.005444 -0.025755 0.002392 -0.004932 -0.020136 0.057682 1Rh 4dxy 0.003228 -0.003342 0.017427 -0.002875 -0.010183 0.024739 1Rh 5dz2 -0.016652 0.051682 0.006087 0.009476 0.043290 -0.039248 1Rh 5dxz 0.013820 0.023038 0.000407 -0.025838 0.057461 -0.046932 1Rh 5dyz 0.019929 -0.025393 -0.015623 -0.003991 0.008194 -0.001093 1Rh 5dx2y2 0.016445 0.038006 -0.016044 -0.002254 -0.085265 0.071495 1Rh 5dxy -0.014304 0.006049 0.012385 -0.006999 -0.029649 0.024452 1Rh 1f0 -0.002550 0.001383 -0.004931 0.000602 -0.001112 -0.000854 1Rh 1f+1 -0.002814 -0.001060 0.000326 0.003932 0.000669 0.000138 1Rh 1f-1 -0.000309 -0.000656 -0.004317 0.008411 -0.000011 -0.000082 1Rh 1f+2 -0.000350 -0.000453 -0.003908 -0.008746 0.001016 0.000231 1Rh 1f-2 0.001113 0.000927 -0.006411 0.000445 0.000115 0.000020 1Rh 1f+3 -0.001362 0.001302 0.005162 0.003035 0.001717 0.000843 1Rh 1f-3 0.001348 0.000225 -0.003837 0.000422 0.000659 0.000076 2C 1s 0.000123 -0.000310 0.003378 -0.010448 0.006040 -0.001566 2C 2s -0.000271 -0.000759 0.004871 -0.014970 0.011286 -0.001780 2C 3s 0.014161 0.008453 0.073655 -0.241330 -0.003438 -0.032199 2C 4s -0.060896 -0.023350 -0.531324 1.719429 -0.391390 0.181063 2C 5s 0.201600 0.009273 0.320313 -1.176309 0.624387 -0.003684 2C 1pz 0.001842 0.003716 -0.010082 0.032288 -0.041791 0.009481 2C 1px 0.000674 0.000136 -0.001439 0.005521 -0.004852 -0.024426 2C 1py -0.001740 -0.000162 -0.008853 0.023152 -0.029805 -0.003211 2C 2pz -0.037467 -0.027232 -0.282824 0.887208 -0.247858 -0.069146 2C 2px -0.013370 0.000506 -0.088289 0.261412 -0.134217 0.220706 2C 2py 0.001983 0.007843 -0.152329 0.559822 -0.123296 0.033649 2C 3pz 0.055009 0.016090 0.059034 -0.213614 0.168947 0.019503 2C 3px 0.022652 0.014358 0.021069 -0.063356 0.076855 -0.048438 2C 3py -0.000714 -0.042192 0.032672 -0.140338 0.101826 -0.001859 2C 1dz2 -0.043642 -0.033144 -0.031350 0.086318 -0.041384 -0.023138 2C 1dxz -0.028795 -0.019848 -0.012913 0.036854 -0.018653 0.037758 2C 1dyz 0.023072 0.021970 -0.039711 0.131708 -0.061965 -0.000266 2C 1dx2y2 -0.031942 -0.026948 0.010846 -0.043535 0.022583 0.002153 2C 1dxy 0.005414 0.003133 -0.008128 0.024300 -0.011922 0.029921 2C 2dz2 -0.065614 -0.046452 -0.065994 0.187541 -0.041863 -0.093046 2C 2dxz -0.054026 -0.042259 -0.004135 0.005437 0.032890 0.141087 2C 2dyz 0.022580 0.019369 -0.093441 0.325251 -0.097055 -0.025024 2C 2dx2y2 -0.044307 -0.027133 0.009952 -0.051640 -0.007450 0.001437 2C 2dxy 0.029291 0.027473 -0.020037 0.060332 -0.030745 0.107517 2C 1f0 -0.077757 -0.057060 -0.019247 0.042211 -0.013219 -0.063662 2C 1f+1 -0.022304 -0.012987 -0.021563 0.061026 -0.030086 0.062344 2C 1f-1 -0.007714 -0.003712 -0.035955 0.112471 -0.027097 -0.019561 2C 1f+2 -0.048006 -0.039267 0.029341 -0.103639 0.035857 0.004917 2C 1f-2 -0.025771 -0.016400 -0.017434 0.051564 -0.012841 0.112046 2C 1f+3 -0.005809 -0.003307 0.005692 -0.014556 0.005871 0.012565 2C 1f-3 0.026552 0.019562 -0.010829 0.038457 -0.021537 -0.035304 3C 1s 0.001594 0.000076 -0.010559 -0.003450 0.006011 -0.000518 3C 2s 0.001856 0.000356 -0.015151 -0.004990 0.011310 -0.000358 3C 3s 0.036535 -0.008705 -0.241347 -0.075624 -0.005346 -0.007330 3C 4s -0.236422 0.036700 1.721313 0.540288 -0.380472 0.008740 3C 5s 0.608011 -0.044215 -1.115304 -0.360417 0.627904 0.108335 3C 1pz -0.003688 0.000798 0.022058 0.008755 -0.028733 0.006999 3C 1px -0.001366 0.000345 0.009819 0.003742 -0.014998 -0.026057 3C 1py 0.005733 0.001182 -0.031787 -0.009619 0.040318 -0.003538 3C 2pz -0.037919 0.000100 0.424889 0.107916 -0.046720 -0.105082 3C 2px -0.042686 0.003890 0.389858 0.118959 -0.122909 0.201603 3C 2py 0.085083 -0.029002 -0.908547 -0.294271 0.280505 0.106984 3C 3pz 0.080967 0.034160 -0.108771 -0.029166 0.066488 0.028606 3C 3px 0.052273 0.006223 -0.088058 -0.030940 0.088078 -0.039285 3C 3py -0.123718 0.024555 0.205303 0.070669 -0.183268 -0.033080 3C 1dz2 -0.010233 -0.027000 -0.021339 -0.009257 0.008457 -0.012802 3C 1dxz -0.014552 -0.015857 0.048288 0.012672 -0.023225 0.017453 3C 1dyz 0.023220 0.018638 -0.117074 -0.036805 0.057416 0.025559 3C 1dx2y2 -0.001870 -0.024387 -0.080150 -0.028823 0.040613 0.028310 3C 1dxy 0.007092 -0.003290 -0.074671 -0.021734 0.032794 -0.035071 3C 2dz2 -0.001752 -0.015553 -0.065438 -0.029307 0.028612 -0.044864 3C 2dxz -0.016343 -0.019337 0.074664 0.012933 -0.001084 0.078425 3C 2dyz 0.056304 0.027413 -0.313935 -0.098929 0.121171 0.101794 3C 2dx2y2 -0.014688 -0.046528 -0.129247 -0.043341 0.003905 0.101693 3C 2dxy 0.005688 -0.017583 -0.134015 -0.035454 0.006980 -0.127246 3C 1f0 -0.003721 -0.012954 -0.029191 -0.009041 -0.001543 0.008515 3C 1f+1 -0.014505 -0.016607 0.032705 0.011030 -0.020690 -0.027696 3C 1f-1 0.026700 0.051908 -0.004852 0.001772 0.008794 0.049783 3C 1f+2 0.015889 -0.005058 -0.095476 -0.033308 0.024784 0.048613 3C 1f-2 0.027911 0.016300 -0.109718 -0.031447 0.033013 -0.067905 3C 1f+3 -0.013216 0.004956 0.089308 0.026268 -0.029314 0.062496 3C 1f-3 -0.002909 -0.020949 -0.052054 -0.023406 0.030374 0.091845 4C 1s -0.000749 -0.000010 -0.000072 -0.000033 0.006401 -0.000070 4C 2s -0.001359 -0.000078 0.001373 -0.005076 0.013702 0.000015 4C 3s 0.005251 0.006258 -0.145683 0.499110 -0.203624 0.007585 4C 4s 0.038929 -0.016869 0.667601 -2.297961 0.598784 -0.008832 4C 5s -0.134480 -0.012012 -0.218081 0.763289 -0.315018 0.032840 4C 1pz 0.009268 0.003799 0.021876 -0.060963 0.004022 -0.020109 4C 1px 0.002336 0.003085 0.006684 -0.007956 -0.006721 0.050628 4C 1py -0.001966 -0.005926 0.007628 -0.042484 0.000797 0.007206 4C 2pz 0.049086 0.050865 -0.257293 0.856493 -0.311207 0.044948 4C 2px 0.027620 0.028489 -0.067179 0.173126 -0.060001 -0.005524 4C 2py -0.165042 -0.124526 -0.195493 0.559621 -0.210551 0.025126 4C 3pz 0.060713 -0.055729 0.115600 -0.453528 0.510299 0.080328 4C 3px -0.008720 -0.033249 -0.003344 -0.040164 0.088297 -0.150540 4C 3py 0.099946 0.039835 0.066404 -0.290694 0.347566 -0.008131 4C 1dz2 0.071434 0.059350 0.033205 -0.038871 0.010932 0.001882 4C 1dxz 0.029478 0.025695 0.018930 -0.026585 0.023661 -0.007334 4C 1dyz -0.032259 -0.032901 0.006083 -0.051833 -0.021764 -0.003246 4C 1dx2y2 0.042529 0.041602 -0.000571 0.042112 -0.038899 -0.001211 4C 1dxy 0.007399 0.005059 0.000651 0.000967 -0.023991 -0.002294 4C 2dz2 -0.002388 -0.001758 0.036109 -0.162039 0.064482 -0.207645 4C 2dxz -0.000373 0.011711 0.012706 -0.072869 0.041497 0.321441 4C 2dyz 0.013256 0.008989 0.107140 -0.328189 0.085844 -0.020383 4C 2dx2y2 -0.009006 -0.014557 -0.016003 -0.002918 -0.049838 0.042373 4C 2dxy -0.006877 -0.003888 0.034033 -0.134911 0.012440 0.252697 4C 1f0 0.179056 0.142936 -0.007830 0.089063 -0.035395 0.049133 4C 1f+1 0.088830 0.070964 -0.044336 0.166563 -0.060298 -0.056063 4C 1f-1 0.017062 0.021992 -0.097618 0.314954 -0.183704 0.085814 4C 1f+2 0.151342 0.113969 0.088581 -0.225386 0.111088 0.043033 4C 1f-2 0.035949 0.032325 -0.032458 0.116870 -0.060176 -0.137658 4C 1f+3 -0.023547 -0.021643 -0.014727 0.030150 -0.021669 0.029073 4C 1f-3 -0.070295 -0.043633 -0.033646 0.096171 -0.033220 0.088901 5C 1s -0.002184 0.000012 0.000321 0.000164 0.006228 0.000142 5C 2s -0.003603 -0.000012 -0.004334 -0.001300 0.013422 0.000564 5C 3s -0.012721 -0.002003 0.492631 0.156372 -0.208273 -0.022459 5C 4s 0.198996 -0.003004 -2.280811 -0.724341 0.629024 0.111239 5C 5s -0.373538 0.019092 0.725842 0.247034 -0.309334 -0.044670 5C 1pz 0.015312 0.005527 -0.041562 -0.004650 0.002394 -0.015185 5C 1px 0.006913 -0.000199 -0.017898 -0.012449 0.001035 0.053861 5C 1py -0.019530 0.003872 0.060464 0.021409 -0.000866 0.006628 5C 2pz -0.032244 0.106125 0.471890 0.137774 -0.167762 -0.031009 5C 2px -0.035654 0.030653 0.318251 0.161697 -0.121912 -0.005057 5C 2py 0.163583 0.038578 -0.859742 -0.246158 0.300998 0.045604 5C 3pz 0.168034 -0.048303 -0.242032 -0.086870 0.320267 0.092357 5C 3px 0.106649 -0.008576 -0.151135 -0.027283 0.181049 -0.136336 5C 3py -0.316315 -0.033546 0.409248 0.145175 -0.521811 -0.083011 5C 1dz2 0.022155 0.050022 -0.013025 0.015285 0.028696 0.001073 5C 1dxz 0.017073 0.021594 -0.034128 -0.002382 0.021688 -0.002041 5C 1dyz -0.023994 -0.026172 0.045157 0.003975 0.028362 0.001953 5C 1dx2y2 0.001382 0.036032 0.047400 0.028410 -0.030891 -0.001377 5C 1dxy -0.010334 0.001913 0.035402 0.012150 -0.004783 0.005468 5C 2dz2 -0.016276 -0.008134 0.117202 0.016561 -0.009873 -0.130602 5C 2dxz -0.001646 -0.007783 -0.039347 -0.014034 0.042963 0.175070 5C 2dyz -0.029320 0.003625 0.318145 0.112597 -0.071142 0.142649 5C 2dx2y2 -0.005580 0.016165 0.128671 0.028382 -0.063290 0.210667 5C 2dxy -0.010826 0.008024 0.145389 0.032958 -0.059783 -0.353639 5C 1f0 0.019643 0.010849 -0.145744 -0.043278 0.094532 -0.049132 5C 1f+1 0.015434 0.045656 0.067731 0.023054 -0.018759 0.074503 5C 1f-1 -0.065776 -0.141772 -0.020464 -0.023122 0.015047 -0.072481 5C 1f+2 0.025164 0.011056 -0.221098 -0.066127 0.124953 -0.032268 5C 1f-2 -0.005880 -0.057017 -0.219419 -0.087181 0.121399 0.153227 5C 1f+3 -0.040539 -0.026862 0.237832 0.073488 -0.115873 -0.020619 5C 1f-3 0.052622 0.061603 -0.172755 -0.044077 0.062972 -0.077280 6C 1s 0.002178 0.000014 -0.000311 -0.000162 0.006230 -0.000136 6C 2s 0.003584 -0.000006 0.004357 0.001303 0.013422 -0.000559 6C 3s 0.013390 -0.002299 -0.493315 -0.156289 -0.207952 0.022453 6C 4s -0.201693 -0.001607 2.283478 0.723900 0.627581 -0.111825 6C 5s 0.373329 0.019017 -0.725974 -0.245528 -0.308923 0.045727 6C 1pz 0.015398 -0.005603 -0.041558 -0.004644 -0.002403 -0.015212 6C 1px 0.006796 0.000228 -0.017912 -0.012440 -0.000829 0.053986 6C 1py -0.019653 -0.003845 0.060506 0.021339 0.000884 0.006620 6C 2pz -0.033702 -0.105683 0.472097 0.137044 0.167123 -0.030749 6C 2px -0.036499 -0.031019 0.319842 0.162453 0.122422 -0.006977 6C 2py 0.165090 -0.039862 -0.859974 -0.245230 -0.300078 0.045700 6C 3pz 0.166700 0.048395 -0.242753 -0.086673 -0.319838 0.092662 6C 3px 0.106552 0.008378 -0.151480 -0.027524 -0.181330 -0.137561 6C 3py -0.313956 0.033663 0.410623 0.144943 0.521793 -0.082658 6C 1dz2 -0.021944 0.050253 0.013011 -0.015266 0.028677 -0.001109 6C 1dxz -0.016915 0.021666 0.034134 0.002428 0.021688 0.002043 6C 1dyz 0.023921 -0.026337 -0.045108 -0.003968 0.028415 -0.001978 6C 1dx2y2 -0.001309 0.036165 -0.047467 -0.028337 -0.030765 0.001446 6C 1dxy 0.010306 0.001816 -0.035452 -0.012057 -0.004783 -0.005487 6C 2dz2 0.015955 -0.008323 -0.117292 -0.016191 -0.009238 0.130600 6C 2dxz 0.001515 -0.007492 0.039228 0.013704 0.042166 -0.174753 6C 2dyz 0.030374 0.003447 -0.318554 -0.112731 -0.071642 -0.142343 6C 2dx2y2 0.006692 0.015826 -0.128854 -0.028282 -0.064253 -0.210251 6C 2dxy 0.010743 0.007620 -0.145368 -0.032489 -0.058043 0.353200 6C 1f0 0.019757 -0.010913 -0.145870 -0.043166 -0.094606 -0.049217 6C 1f+1 0.015133 -0.045774 0.067769 0.022943 0.018923 0.074524 6C 1f-1 -0.065059 0.142199 -0.020644 -0.022917 -0.015306 -0.072548 6C 1f+2 0.025340 -0.011182 -0.221218 -0.066172 -0.124828 -0.032094 6C 1f-2 -0.005901 0.057225 -0.219874 -0.087101 -0.120642 0.153348 6C 1f+3 -0.040441 0.027037 0.237971 0.073458 0.115578 -0.020724 6C 1f-3 0.052529 -0.061878 -0.172864 -0.044096 -0.063148 -0.077296 7C 1s 0.000757 0.000010 0.000077 0.000027 0.006409 0.000031 7C 2s 0.001363 -0.000051 -0.001366 0.005062 0.013721 -0.000104 7C 3s -0.004480 0.006992 0.146185 -0.498990 -0.204134 -0.005939 7C 4s -0.041831 -0.022175 -0.670260 2.297790 0.600740 0.002760 7C 5s 0.133923 -0.009696 0.218320 -0.763022 -0.315446 -0.031406 7C 1pz 0.009407 -0.003606 0.021920 -0.060938 -0.004169 -0.020222 7C 1px 0.002373 -0.003037 0.006704 -0.007988 0.006877 0.050899 7C 1py -0.001894 0.006046 0.007703 -0.042589 -0.000757 0.007212 7C 2pz 0.049232 -0.054336 -0.256934 0.854715 0.311555 0.044079 7C 2px 0.027952 -0.029239 -0.067040 0.172392 0.060093 -0.007815 7C 2py -0.165507 0.122042 -0.196838 0.563338 0.212242 0.024008 7C 3pz 0.061552 0.056337 0.116191 -0.452347 -0.509601 0.084920 7C 3px -0.008760 0.032821 -0.003932 -0.037361 -0.087587 -0.150867 7C 3py 0.100949 -0.039294 0.067118 -0.291325 -0.348439 -0.005151 7C 1dz2 -0.071791 0.059179 -0.033214 0.038781 0.010936 -0.001843 7C 1dxz -0.029477 0.025485 -0.018865 0.026459 0.023615 0.007141 7C 1dyz 0.032034 -0.032917 -0.006175 0.051795 -0.021776 0.003381 7C 1dx2y2 -0.042668 0.041757 0.000490 -0.042044 -0.038883 0.001348 7C 1dxy -0.007670 0.005194 -0.000716 -0.000953 -0.023979 0.002526 7C 2dz2 0.002886 -0.002584 -0.035616 0.160363 0.064847 0.206895 7C 2dxz 0.000542 0.011004 -0.012444 0.072917 0.040970 -0.320901 7C 2dyz -0.013605 0.007999 -0.107726 0.329245 0.086327 0.020301 7C 2dx2y2 0.008281 -0.013908 0.016068 0.001794 -0.050329 -0.042168 7C 2dxy 0.006595 -0.004164 -0.034441 0.135301 0.011931 -0.253950 7C 1f0 0.179461 -0.142916 -0.007215 0.086818 0.034580 0.048495 7C 1f+1 0.088564 -0.071106 -0.044088 0.165389 0.059777 -0.056307 7C 1f-1 0.018633 -0.024262 -0.097262 0.314520 0.184007 0.085216 7C 1f+2 0.151539 -0.112834 0.089209 -0.227029 -0.112006 0.043986 7C 1f-2 0.036505 -0.033054 -0.032308 0.116512 0.059725 -0.138814 7C 1f+3 -0.023326 0.021288 -0.014759 0.030379 0.021819 0.028694 7C 1f-3 -0.071007 0.043627 -0.034051 0.096826 0.033764 0.088753 8C 1s -0.001595 0.000076 0.010570 0.003446 0.006004 0.000537 8C 2s -0.001849 0.000350 0.015165 0.004987 0.011297 0.000375 8C 3s -0.037188 -0.008355 0.241629 0.075341 -0.005418 0.007809 8C 4s 0.239886 0.034937 -1.723089 -0.538755 -0.379540 -0.010713 8C 5s -0.606416 -0.043018 1.117349 0.358852 0.627325 -0.108060 8C 1pz -0.003644 -0.000831 0.022037 0.008757 0.028682 0.006987 8C 1px -0.001278 -0.000354 0.009793 0.003722 0.014803 -0.026057 8C 1py 0.005656 -0.001175 -0.031870 -0.009632 -0.040352 -0.003512 8C 2pz -0.038980 0.000660 0.426193 0.107778 0.047141 -0.105628 8C 2px -0.044047 -0.003551 0.392090 0.119463 0.125295 0.200984 8C 2py 0.086784 0.028149 -0.907999 -0.293492 -0.278187 0.108041 8C 3pz 0.080570 -0.034273 -0.109103 -0.029121 -0.066663 0.028480 8C 3px 0.052001 -0.006193 -0.088572 -0.030854 -0.089080 -0.039049 8C 3py -0.123274 -0.024534 0.205476 0.070499 0.182637 -0.033273 8C 1dz2 0.010075 -0.027051 0.021440 0.009254 0.008523 0.012763 8C 1dxz 0.014622 -0.016019 -0.048315 -0.012704 -0.023235 -0.017385 8C 1dyz -0.023148 0.018721 0.117062 0.036774 0.057147 -0.025697 8C 1dx2y2 0.001729 -0.024404 0.080331 0.028793 0.040535 -0.028401 8C 1dxy -0.007178 -0.003293 0.074755 0.021701 0.032850 0.034978 8C 2dz2 0.001401 -0.015665 0.065706 0.029484 0.028835 0.044529 8C 2dxz 0.016830 -0.020118 -0.074259 -0.012879 -0.001125 -0.078106 8C 2dyz -0.056299 0.027521 0.313865 0.098697 0.120221 -0.102556 8C 2dx2y2 0.014008 -0.046177 0.130316 0.043465 0.004237 -0.101860 8C 2dxy -0.006243 -0.017602 0.133660 0.035237 0.007106 0.127098 8C 1f0 -0.003625 0.012932 -0.029179 -0.008963 0.001554 0.008421 8C 1f+1 -0.014104 0.016482 0.032076 0.010761 0.020345 -0.027926 8C 1f-1 0.026412 -0.052126 -0.004766 0.001695 -0.008496 0.050058 8C 1f+2 0.015933 0.004873 -0.095480 -0.033151 -0.024541 0.048325 8C 1f-2 0.028059 -0.016310 -0.110155 -0.031474 -0.033197 -0.068305 8C 1f+3 -0.013423 -0.004825 0.089124 0.026209 0.029400 0.062132 8C 1f-3 -0.003017 0.021135 -0.052337 -0.023438 -0.030037 0.091988 9C 1s -0.000144 -0.000331 -0.003371 0.010438 0.006053 0.001562 9C 2s 0.000226 -0.000768 -0.004859 0.014946 0.011304 0.001749 9C 3s -0.014268 0.007336 -0.073931 0.241658 -0.003085 0.032642 9C 4s 0.062626 -0.017422 0.532493 -1.720357 -0.393737 -0.181318 9C 5s -0.202105 0.004979 -0.322197 1.176464 0.625020 -0.001634 9C 1pz 0.001758 -0.003732 -0.010032 0.032221 0.041864 0.009272 9C 1px 0.000662 -0.000174 -0.001423 0.005508 0.004763 -0.024490 9C 1py -0.001807 0.000157 -0.008806 0.023034 0.029757 -0.003355 9C 2pz -0.037838 0.024079 -0.282409 0.883438 0.245588 -0.071404 9C 2px -0.013410 -0.001105 -0.088243 0.260226 0.134486 0.220090 9C 2py 0.001579 -0.009962 -0.155021 0.566935 0.128810 0.032703 9C 3pz 0.055294 -0.015870 0.059109 -0.212721 -0.167644 0.020958 9C 3px 0.022487 -0.014152 0.021046 -0.063370 -0.077016 -0.048102 9C 3py -0.000373 0.042289 0.033255 -0.141360 -0.103926 -0.001266 9C 1dz2 0.043949 -0.032957 0.031263 -0.085891 -0.041234 0.023401 9C 1dxz 0.028832 -0.019666 0.012816 -0.036547 -0.018678 -0.037696 9C 1dyz -0.022423 0.021919 0.039837 -0.131900 -0.062150 0.000756 9C 1dx2y2 0.032347 -0.027248 -0.010962 0.043846 0.022787 -0.002235 9C 1dxy -0.005268 0.003102 0.008065 -0.024053 -0.011814 -0.029958 9C 2dz2 0.065664 -0.045397 0.066282 -0.187577 -0.042420 0.093351 9C 2dxz 0.053747 -0.041780 0.003957 -0.004688 0.032286 -0.141690 9C 2dyz -0.021282 0.019482 0.093866 -0.325567 -0.096864 0.026494 9C 2dx2y2 0.046171 -0.028824 -0.010171 0.052141 -0.007399 -0.001295 9C 2dxy -0.029027 0.027286 0.019721 -0.058908 -0.029793 -0.107208 9C 1f0 -0.078354 0.057067 -0.019171 0.041888 0.013256 -0.063188 9C 1f+1 -0.022281 0.012670 -0.021430 0.060643 0.030051 0.061640 9C 1f-1 -0.008263 0.003589 -0.035967 0.112265 0.027091 -0.020235 9C 1f+2 -0.047454 0.039208 0.029730 -0.104736 -0.036069 0.004041 9C 1f-2 -0.026009 0.016291 -0.017277 0.051031 0.013135 0.112917 9C 1f+3 -0.006153 0.003610 0.005535 -0.014329 -0.005787 0.013642 9C 1f-3 0.026342 -0.019444 -0.010619 0.037785 0.021216 -0.036219 10H 1s 0.000113 -0.002771 0.019805 -0.061240 0.030403 0.006245 10H 2s -0.016263 -0.019804 0.035708 -0.104159 0.068391 -0.041472 10H 3s -0.018915 -0.006816 -0.036657 0.123190 -0.052021 0.052982 10H 1pz -0.001264 -0.001878 0.008103 -0.022944 0.010161 -0.015042 10H 1px 0.003782 0.005742 -0.015570 0.047203 -0.024304 0.005596 10H 1py -0.004956 -0.005084 0.003433 -0.011146 0.006488 -0.012805 11H 1s 0.033696 0.023576 0.002066 -0.005803 -0.009850 -0.021444 11H 2s 0.039742 0.036280 -0.022339 0.063100 -0.072812 -0.041456 11H 3s -0.004261 0.006860 -0.016325 0.074518 0.035639 -0.014363 11H 1pz 0.014290 0.009368 0.002010 -0.013625 -0.004346 -0.014110 11H 1px 0.017993 0.014174 -0.003586 0.012051 -0.021530 -0.012885 11H 1py -0.016241 -0.011486 0.002771 -0.011919 0.011958 0.010497 12H 1s -0.020612 -0.014722 0.008242 -0.025556 0.006921 -0.031613 12H 2s -0.046504 -0.035718 0.005829 -0.000906 -0.000113 -0.052180 12H 3s -0.022611 -0.017448 -0.029738 0.094432 -0.000213 -0.020913 12H 1pz 0.009878 0.007218 0.002523 -0.004797 0.003714 0.010457 12H 1px -0.008652 -0.005776 -0.001314 0.005425 -0.010009 -0.015447 12H 1py -0.019068 -0.014977 0.009462 -0.024313 0.009147 -0.022214 13H 1s 0.015659 0.000784 -0.057216 -0.021539 0.030994 0.013110 13H 2s 0.023881 0.018994 -0.100137 -0.043990 0.068601 -0.024929 13H 3s -0.046033 0.010529 0.117275 0.040563 -0.046561 0.038332 13H 1pz 0.011609 0.006399 -0.039229 -0.015348 0.021648 -0.010595 13H 1px -0.008728 -0.002302 0.033146 0.012932 -0.017098 -0.005487 13H 1py -0.003085 -0.000571 0.011653 0.005836 -0.003662 0.007916 14H 1s 0.015870 0.008823 -0.034778 -0.009888 0.010401 -0.025741 14H 2s 0.019251 0.033317 -0.035077 -0.015113 0.021722 -0.035824 14H 3s -0.041235 0.016902 0.094654 0.032318 -0.012037 -0.038937 14H 1pz 0.010744 0.007714 -0.028642 -0.011270 0.016999 -0.002121 14H 1px 0.011261 0.011294 -0.018874 -0.006007 0.001642 -0.020433 14H 1py 0.003085 0.003418 -0.000628 0.000981 0.000222 -0.008265 15H 1s -0.009315 -0.021041 -0.001248 0.001731 -0.016220 -0.016107 15H 2s -0.025932 -0.028428 0.075474 0.029412 -0.098172 -0.037770 15H 3s -0.041230 -0.005368 0.066879 0.014724 0.045150 -0.018525 15H 1pz 0.009005 0.012133 -0.021626 -0.006912 0.026597 0.011591 15H 1px -0.001790 -0.003268 0.003851 0.001962 -0.010212 0.000108 15H 1py 0.001721 0.010866 0.006678 -0.000260 0.016232 0.013931 16H 1s 0.004647 0.001289 -0.002222 0.003527 0.011275 -0.001023 16H 2s 0.015389 -0.001046 0.019386 -0.034022 -0.011440 0.012045 16H 3s -0.007038 -0.001786 -0.000982 0.022216 0.003717 -0.031786 16H 1pz -0.001002 -0.000144 0.006768 0.005938 0.000680 0.004430 16H 1px 0.002751 -0.002422 0.004421 -0.030325 -0.004858 -0.005154 16H 1py 0.021565 0.001450 -0.007276 -0.018716 0.003970 0.001528 17H 1s -0.000942 0.000578 -0.003450 -0.000376 0.011792 -0.002188 17H 2s -0.047031 -0.009553 0.038007 0.003731 -0.013855 0.009085 17H 3s 0.008790 -0.004090 -0.014783 -0.005141 0.001880 -0.030385 17H 1pz 0.007550 0.001015 -0.013714 -0.001155 0.001052 -0.001016 17H 1px -0.005969 -0.001399 0.017087 0.022362 -0.002173 -0.003264 17H 1py -0.023835 -0.004804 0.009957 0.017361 0.002176 0.000519 18H 1s 0.000990 0.000562 0.003347 0.000364 0.011801 0.002232 18H 2s 0.046558 -0.009354 -0.037442 -0.003722 -0.014380 -0.008561 18H 3s -0.008856 -0.004520 0.014464 0.005423 0.001958 0.030293 18H 1pz 0.008058 -0.000979 -0.013710 -0.001597 -0.001052 -0.001076 18H 1px -0.005934 0.001316 0.016686 0.022960 0.002057 -0.003101 18H 1py -0.023586 0.004816 0.009445 0.017686 -0.002021 0.000293 19H 1s -0.004561 0.001238 0.002237 -0.003611 0.011299 0.000847 19H 2s -0.015181 -0.000919 -0.019560 0.034279 -0.011307 -0.012022 19H 3s 0.006784 -0.001166 0.001381 -0.022138 0.003686 0.031928 19H 1pz -0.001435 0.000161 0.006593 0.006204 -0.000560 0.004343 19H 1px 0.002323 0.002613 0.005269 -0.030144 0.005001 -0.005266 19H 1py 0.021311 -0.001494 -0.006695 -0.018995 -0.004090 0.001869 20H 1s 0.009045 -0.020952 0.001628 -0.001707 -0.015906 0.016595 20H 2s 0.025633 -0.028481 -0.074390 -0.029357 -0.096755 0.038902 20H 3s 0.041214 -0.005606 -0.067357 -0.014532 0.044738 0.018578 20H 1pz 0.008884 -0.012173 -0.021274 -0.006864 -0.026246 0.012008 20H 1px -0.001858 0.003377 0.004082 0.002082 0.010531 -0.000206 20H 1py 0.001559 -0.010805 0.007086 -0.000258 -0.015715 0.014250 21H 1s -0.015877 0.009036 0.034311 0.009712 0.010065 0.025890 21H 2s -0.019000 0.033399 0.033579 0.014663 0.020371 0.036823 21H 3s 0.041213 0.016765 -0.094345 -0.032046 -0.010993 0.038574 21H 1pz 0.010777 -0.007786 -0.028594 -0.011236 -0.016798 -0.002576 21H 1px 0.011181 -0.011368 -0.018258 -0.005796 -0.001166 -0.020690 21H 1py 0.003056 -0.003494 -0.000372 0.001048 -0.000062 -0.008286 22H 1s -0.015570 0.000712 0.057507 0.021530 0.031057 -0.012917 22H 2s -0.023718 0.018533 0.100771 0.044041 0.068946 0.025807 22H 3s 0.046118 0.010290 -0.117627 -0.040298 -0.047046 -0.038546 22H 1pz 0.011478 -0.006295 -0.038996 -0.015192 -0.021494 -0.010793 22H 1px -0.008713 0.002212 0.033619 0.013030 0.017339 -0.005191 22H 1py -0.003185 0.000547 0.011991 0.005925 0.003893 0.008189 23H 1s 0.021112 -0.015139 -0.007934 0.024646 0.006254 0.031636 23H 2s 0.046577 -0.035582 -0.004636 -0.002273 -0.002792 0.052936 23H 3s 0.022776 -0.016953 0.029687 -0.093761 0.001254 0.020935 23H 1pz 0.010138 -0.007350 0.002737 -0.005348 -0.004110 0.010437 23H 1px -0.008526 0.005675 -0.001566 0.006052 0.010424 -0.015091 23H 1py -0.019279 0.015126 0.009110 -0.023308 -0.008251 -0.022756 24H 1s -0.033569 0.023184 -0.002287 0.006539 -0.009194 0.022200 24H 2s -0.040150 0.036430 0.021870 -0.060657 -0.069768 0.043217 24H 3s 0.004366 0.007360 0.016859 -0.075446 0.034227 0.014761 24H 1pz 0.014264 -0.009202 0.002143 -0.014272 0.003440 -0.014290 24H 1px 0.018328 -0.014323 -0.003524 0.011707 0.021193 -0.013863 24H 1py -0.016081 0.011292 0.002525 -0.011089 -0.011057 0.010657 25H 1s -0.000450 -0.002832 -0.019916 0.061593 0.030598 -0.006222 25H 2s 0.014869 -0.018817 -0.035736 0.104573 0.068716 0.041929 25H 3s 0.018650 -0.005998 0.036791 -0.123419 -0.052496 -0.052959 25H 1pz -0.000913 0.001689 0.008234 -0.023442 -0.010502 -0.015360 25H 1px 0.003413 -0.005618 -0.015591 0.047327 0.024413 0.005778 25H 1py -0.004815 0.004913 0.003134 -0.010281 -0.005962 -0.012569 26O 1s 0.000369 -0.000053 0.002527 -0.008143 0.006439 -0.003706 26O 2s 0.001281 -0.000129 0.007780 -0.025059 0.020590 -0.011382 26O 3s -0.013026 -0.001113 -0.053973 0.172901 -0.183359 0.096889 26O 4s 0.032323 0.010382 0.043129 -0.139191 0.344988 -0.213658 26O 5s -0.024795 0.026456 -0.106740 0.498681 -0.460162 -0.154714 26O 1pz 0.015491 0.012170 -0.006020 0.019390 -0.005813 0.022574 26O 1px 0.011807 0.006339 0.018574 -0.057063 0.061189 -0.048786 26O 1py -0.026968 -0.019558 0.004369 -0.008299 0.019727 -0.004270 26O 2pz -0.039269 -0.035881 0.024086 -0.082011 0.033858 -0.046792 26O 2px -0.031627 -0.026055 0.014388 -0.072078 -0.092746 0.146265 26O 2py 0.066678 0.046637 0.016823 -0.079216 -0.015920 0.026627 26O 3pz 0.005450 0.020213 -0.052434 0.117801 -0.187506 -0.187013 26O 3px 0.010639 0.003929 0.001808 -0.107674 0.064667 -0.039400 26O 3py -0.050480 -0.034634 0.011210 0.055897 -0.094199 -0.131313 26O 1dz2 -0.046692 -0.024933 -0.000450 0.009044 -0.024407 0.026374 26O 1dxz 0.035454 0.037164 -0.000690 0.035031 -0.039347 0.007359 26O 1dyz 0.051478 0.033752 0.020986 -0.053561 0.011416 0.017206 26O 1dx2y2 0.038862 0.040902 0.034385 -0.066065 0.068038 -0.027474 26O 1dxy -0.086073 -0.072591 0.005378 -0.057676 0.032731 -0.014148 26O 2dz2 -0.002854 -0.003343 0.011995 -0.052327 0.006420 0.001470 26O 2dxz 0.005923 0.006595 -0.005355 0.013137 -0.003250 -0.005713 26O 2dyz 0.005193 0.003807 0.004964 -0.012590 0.002963 0.010010 26O 2dx2y2 0.003290 0.005888 -0.015067 0.050329 -0.004635 0.009751 26O 2dxy -0.004959 -0.003292 -0.012890 0.047207 -0.003454 0.007472 26O 1f0 0.041713 0.054206 0.019293 0.041564 -0.043306 -0.048441 26O 1f+1 0.254390 0.212466 -0.022788 0.185323 -0.080978 -0.070565 26O 1f-1 0.044213 0.026701 -0.016167 0.047451 -0.059811 -0.154436 26O 1f+2 0.025401 0.024645 0.102141 -0.278920 0.227564 0.227720 26O 1f-2 -0.244302 -0.184389 -0.107524 0.248447 -0.169749 -0.150907 26O 1f+3 0.101221 0.094029 0.054415 -0.087906 0.098317 0.053807 26O 1f-3 -0.288467 -0.234513 -0.007347 -0.122031 0.103416 0.060216 27O 1s 0.000979 -0.000136 -0.008260 -0.002596 0.006382 -0.003426 27O 2s 0.003277 -0.000480 -0.025330 -0.008052 0.020354 -0.010630 27O 3s -0.026254 0.005637 0.173764 0.057651 -0.180032 0.094143 27O 4s 0.044846 -0.017725 -0.145086 -0.060436 0.334782 -0.223133 27O 5s -0.134812 -0.013824 0.469312 0.125673 -0.470960 -0.170780 27O 1pz 0.006131 0.016191 0.018576 0.003803 -0.010584 0.019003 27O 1px 0.006338 0.000479 -0.060644 -0.019133 0.060820 -0.045877 27O 1py 0.007397 0.011064 -0.012917 -0.005349 -0.000292 -0.015891 27O 2pz -0.013777 -0.043610 -0.039348 -0.008808 0.031875 -0.043830 27O 2px 0.007107 0.003780 -0.071902 -0.014777 -0.081061 0.157931 27O 2py -0.027957 -0.030498 0.087972 0.031981 -0.029223 0.024486 27O 3pz -0.021824 0.026985 0.081415 -0.004340 -0.132414 -0.121080 27O 3px -0.001551 0.002324 -0.099079 0.002859 0.031357 -0.078071 27O 3py 0.060544 0.017252 -0.066762 -0.064447 0.182594 0.192839 27O 1dz2 -0.025492 -0.034414 0.063094 0.019459 -0.041683 0.005967 27O 1dxz 0.024387 0.062231 0.020786 0.022325 -0.038285 0.007728 27O 1dyz -0.009445 -0.003883 0.065272 0.016774 -0.027381 -0.019852 27O 1dx2y2 -0.000329 0.005954 -0.060072 -0.012361 0.058730 -0.034923 27O 1dxy 0.020787 0.047047 0.002700 0.009273 0.015638 -0.003289 27O 2dz2 0.002033 -0.002238 -0.037482 -0.012181 0.004865 -0.005217 27O 2dxz 0.002947 0.006230 -0.009499 -0.002847 -0.000141 -0.005853 27O 2dyz -0.001549 0.000103 0.017609 0.007557 -0.006147 -0.013651 27O 2dx2y2 -0.007285 -0.000726 0.072103 0.017423 -0.008487 -0.000188 27O 2dxy 0.003660 0.003207 -0.026705 -0.009535 0.007061 0.001382 27O 1f0 -0.000377 0.038896 0.063812 0.035971 -0.045748 0.020044 27O 1f+1 0.108279 0.232000 -0.114399 0.006842 0.096493 0.081919 27O 1f-1 0.009747 0.029212 0.079531 0.008759 -0.046422 -0.022831 27O 1f+2 -0.071888 -0.126155 -0.073588 -0.057868 0.135851 0.191304 27O 1f-2 0.013875 -0.045540 -0.364251 -0.135905 0.294910 0.289518 27O 1f+3 -0.065692 -0.078164 0.090673 0.023636 -0.029923 -0.081589 27O 1f-3 0.070179 0.150406 -0.049971 0.019340 0.046072 0.073930 28O 1s 0.000263 -0.000058 0.002608 -0.008378 0.006384 0.003228 28O 2s 0.000877 -0.000177 0.008021 -0.025752 0.020366 0.009886 28O 3s -0.008189 0.000132 -0.055473 0.179927 -0.180840 -0.084584 28O 4s 0.023804 0.009198 0.047320 -0.176016 0.342728 0.192823 28O 5s -0.062448 0.014852 -0.139158 0.522753 -0.457711 0.099045 28O 1pz 0.015538 0.011208 0.006016 -0.017687 0.028359 0.007724 28O 1px 0.010753 0.007337 -0.019786 0.059180 -0.054125 -0.046033 28O 1py -0.027600 -0.018755 -0.002896 0.013235 -0.004290 -0.014443 28O 2pz -0.032664 -0.033217 0.030617 -0.102877 -0.017580 -0.040224 28O 2px -0.026976 -0.012578 -0.002664 0.018154 0.091149 0.134665 28O 2py 0.066420 0.046059 0.015281 -0.061076 0.027516 0.028385 28O 3pz 0.008260 0.020615 -0.007041 -0.004767 -0.132266 0.215201 28O 3px 0.005360 0.015309 -0.047379 0.120907 -0.118892 0.007673 28O 3py -0.048198 -0.023255 0.018506 0.068108 -0.128739 0.130167 28O 1dz2 0.016005 0.026469 0.010693 0.007743 -0.021870 -0.014725 28O 1dxz -0.049981 -0.035937 -0.019162 0.045720 -0.039392 -0.028422 28O 1dyz -0.028533 -0.034878 0.008977 -0.056209 0.012739 -0.022343 28O 1dx2y2 -0.064387 -0.043718 0.019884 -0.071859 0.064528 0.016937 28O 1dxy 0.087206 0.070531 0.027289 -0.039711 0.034066 -0.006816 28O 2dz2 -0.003055 -0.000819 -0.002542 0.001533 -0.001424 -0.003402 28O 2dxz -0.000341 -0.003668 0.021660 -0.073166 0.009444 0.004803 28O 2dyz -0.001262 -0.002809 0.003559 -0.003909 0.000743 -0.010150 28O 2dx2y2 -0.003999 -0.001218 -0.013999 0.040464 -0.002402 -0.008986 28O 2dxy 0.004472 0.004128 0.005333 -0.018278 0.006302 -0.009898 28O 1f0 0.172193 0.157172 0.009859 0.083547 -0.023213 0.034034 28O 1f+1 0.102881 0.102240 0.014090 0.064981 -0.056282 0.072255 28O 1f-1 -0.068991 -0.036656 -0.085686 0.259566 -0.231608 0.290831 28O 1f+2 -0.056876 -0.032935 0.013214 -0.009229 -0.015326 -0.040892 28O 1f-2 -0.124990 -0.110379 0.024308 -0.142460 0.062744 -0.015764 28O 1f+3 0.298954 0.232416 -0.007147 0.120024 -0.128014 0.125496 28O 1f-3 -0.232640 -0.186320 -0.123746 0.243628 -0.201463 0.163152 29O 1s -0.000026 -0.000114 0.000002 -0.000164 0.000800 -0.000219 29O 2s -0.000047 -0.000330 -0.000005 -0.000496 0.002301 -0.000781 29O 3s -0.000637 0.002756 0.000588 0.004617 -0.021188 0.009312 29O 4s 0.001099 -0.005963 0.004313 -0.016020 0.060061 -0.019088 29O 5s 0.020780 0.014875 -0.047844 0.050154 -0.120371 -0.004414 29O 1pz -0.002746 -0.000091 -0.001190 -0.001929 -0.003284 -0.001202 29O 1px -0.001909 -0.000351 0.002199 -0.001996 0.008285 -0.000038 29O 1py -0.000337 -0.000932 0.002904 -0.000145 -0.001381 -0.004062 29O 2pz 0.018142 0.001701 0.004942 0.007889 0.007832 0.005447 29O 2px 0.011609 0.001997 -0.008561 0.008943 -0.018396 -0.000870 29O 2py -0.002184 0.001736 -0.007417 -0.000719 0.004268 0.014689 29O 3pz 0.028466 0.004686 -0.013560 -0.048646 -0.020565 -0.012335 29O 3px 0.014672 0.005128 -0.011136 -0.029103 0.065027 0.023261 29O 3py -0.019610 -0.007287 0.052821 -0.015629 -0.000496 -0.015406 29O 1dz2 -0.005233 -0.002051 0.006062 0.003379 -0.015303 -0.001953 29O 1dxz 0.005365 -0.000163 -0.001092 -0.010329 -0.020517 -0.004522 29O 1dyz 0.003789 0.001340 -0.001002 -0.008566 -0.000138 -0.000622 29O 1dx2y2 0.003507 -0.000748 -0.002788 -0.003765 0.019612 0.006473 29O 1dxy 0.003299 0.000186 -0.007999 0.000650 0.004693 0.000189 29O 2dz2 -0.006339 -0.000184 0.002108 0.002130 0.000548 -0.001066 29O 2dxz 0.007453 0.000897 -0.000431 -0.005156 0.002607 0.000651 29O 2dyz -0.005763 -0.000990 -0.002316 -0.003230 -0.000385 -0.000745 29O 2dx2y2 0.002601 0.001008 -0.002062 -0.001088 -0.004448 -0.001965 29O 2dxy -0.005162 -0.001216 0.003193 -0.002413 0.000664 -0.000050 29O 1f0 0.030727 0.000737 -0.001658 -0.024488 -0.002254 -0.005353 29O 1f+1 -0.005228 0.007433 0.006494 0.050189 0.012124 0.009242 29O 1f-1 -0.000871 0.003173 -0.013042 0.002216 0.019205 0.002445 29O 1f+2 0.056144 0.007539 -0.038868 -0.066420 0.023717 0.006289 29O 1f-2 -0.009206 0.000841 -0.006617 0.032004 0.024498 0.005902 29O 1f+3 -0.022482 -0.008873 0.007610 0.036884 0.030876 0.006372 29O 1f-3 0.023844 0.005068 -0.027133 -0.014340 0.012322 0.007208 30O 1s 0.000974 -0.000242 -0.007858 -0.002769 0.006417 0.003796 30O 2s 0.003326 -0.000815 -0.024127 -0.008420 0.020428 0.011677 30O 3s -0.028327 0.008625 0.163956 0.056367 -0.179637 -0.099770 30O 4s 0.053169 -0.024103 -0.128210 -0.040712 0.334983 0.220742 30O 5s -0.138535 0.009816 0.481565 0.222556 -0.482038 0.117201 30O 1pz 0.009963 0.014527 -0.018312 -0.007062 0.026400 0.011804 30O 1px -0.002067 0.004207 0.053444 0.018266 -0.052501 -0.054722 30O 1py 0.007115 0.012072 0.006214 0.000425 -0.020823 -0.002294 30O 2pz -0.011763 -0.036445 -0.070425 -0.025878 -0.024397 -0.045458 30O 2px -0.004343 -0.011461 0.022262 0.014674 0.087402 0.153391 30O 2py -0.032233 -0.034293 0.113133 0.048078 0.001470 0.025571 30O 3pz -0.010591 0.031438 0.012539 -0.043472 -0.064392 0.125875 30O 3px -0.027181 0.004308 0.131443 0.063580 -0.158241 0.054689 30O 3py 0.049511 0.011183 -0.032392 -0.025982 0.135124 -0.212081 30O 1dz2 0.005970 0.040378 0.043917 0.028499 -0.037491 -0.002919 30O 1dxz -0.032266 -0.059902 0.050728 0.007761 -0.045127 -0.028864 30O 1dyz -0.004903 0.000330 0.071478 0.020292 -0.025970 0.007467 30O 1dx2y2 -0.003848 -0.004309 -0.047162 -0.012626 0.059725 0.026015 30O 1dxy -0.029390 -0.046904 0.008490 -0.006974 0.013119 0.027529 30O 2dz2 0.000525 0.002351 -0.008445 -0.007016 0.002364 0.006847 30O 2dxz 0.002501 -0.004403 -0.051337 -0.020531 0.006217 0.005407 30O 2dyz 0.001009 0.002464 -0.019550 -0.006874 0.001793 0.014353 30O 2dx2y2 -0.001902 0.001763 0.021935 0.007763 -0.001963 -0.004176 30O 2dxy -0.007614 -0.004843 0.065448 0.024122 -0.011449 0.002394 30O 1f0 0.064311 0.128534 -0.213703 -0.045783 0.182724 -0.201263 30O 1f+1 0.041027 0.150045 0.168471 0.095592 -0.136914 0.109239 30O 1f-1 0.012403 -0.030420 -0.130481 -0.056000 0.091828 -0.082652 30O 1f+2 -0.070038 -0.172854 -0.085434 -0.050779 0.054737 -0.126116 30O 1f-2 0.012792 0.031048 0.092692 0.029064 -0.064826 -0.015441 30O 1f+3 0.011406 0.035187 0.201517 0.052064 -0.179619 0.196645 30O 1f-3 0.124276 0.181239 -0.232968 -0.033220 0.105737 -0.096733 31O 1s -0.000971 -0.000242 0.007869 0.002765 0.006395 -0.003801 31O 2s -0.003315 -0.000813 0.024159 0.008407 0.020362 -0.011686 31O 3s 0.028211 0.008584 -0.164179 -0.056173 -0.179104 0.099736 31O 4s -0.052845 -0.023891 0.128522 0.040078 0.334066 -0.220173 31O 5s 0.137677 0.010494 -0.484458 -0.223464 -0.483533 -0.116457 31O 1pz 0.009832 -0.014622 -0.018306 -0.007078 -0.026329 0.011781 31O 1px -0.001997 -0.004212 0.053455 0.018220 0.052217 -0.054699 31O 1py 0.007154 -0.012088 0.006191 0.000359 0.020780 -0.002274 31O 2pz -0.011444 0.036746 -0.070807 -0.025968 0.024143 -0.045173 31O 2px -0.004584 0.011378 0.022589 0.015017 -0.086635 0.153004 31O 2py -0.032316 0.034196 0.113507 0.048423 -0.001319 0.025304 31O 3pz -0.010972 -0.031367 0.012391 -0.043551 0.064697 0.126145 31O 3px -0.026830 -0.004552 0.131987 0.063922 0.158827 0.054468 31O 3py 0.049786 -0.011081 -0.032759 -0.025984 -0.136068 -0.212664 31O 1dz2 -0.005894 0.040558 -0.044059 -0.028372 -0.037461 0.002922 31O 1dxz 0.031943 -0.060126 -0.050757 -0.007776 -0.044979 0.028841 31O 1dyz 0.004946 0.000351 -0.071416 -0.020303 -0.025863 -0.007407 31O 1dx2y2 0.003825 -0.004365 0.047262 0.012707 0.059630 -0.026029 31O 1dxy 0.029325 -0.047069 -0.008408 0.006910 0.013004 -0.027575 31O 2dz2 -0.000513 0.002336 0.008442 0.007016 0.002331 -0.006837 31O 2dxz -0.002550 -0.004442 0.051491 0.020589 0.006212 -0.005524 31O 2dyz -0.000964 0.002452 0.019616 0.006953 0.001743 -0.014443 31O 2dx2y2 0.001944 0.001759 -0.022016 -0.007794 -0.001981 0.004209 31O 2dxy 0.007654 -0.004806 -0.065550 -0.024212 -0.011425 -0.002289 31O 1f0 0.064021 -0.128842 -0.213876 -0.046009 -0.183403 -0.201199 31O 1f+1 0.040375 -0.150744 0.168814 0.095356 0.137185 0.109034 31O 1f-1 0.012621 0.030399 -0.130604 -0.055927 -0.091973 -0.082565 31O 1f+2 -0.069239 0.173352 -0.085567 -0.050461 -0.054956 -0.125885 31O 1f-2 0.012690 -0.031248 0.092708 0.029013 0.064646 -0.015542 31O 1f+3 0.010969 -0.035408 0.201675 0.052050 0.180188 0.196488 31O 1f-3 0.123741 -0.181864 -0.232998 -0.033468 -0.106032 -0.096834 32O 1s 0.000023 -0.000112 0.000001 0.000167 0.000803 0.000218 32O 2s 0.000037 -0.000326 0.000013 0.000504 0.002312 0.000781 32O 3s 0.000736 0.002739 -0.000617 -0.004604 -0.021322 -0.009297 32O 4s -0.001360 -0.005970 -0.004342 0.015766 0.060414 0.019032 32O 5s -0.020251 0.014694 0.047485 -0.050129 -0.120540 0.004300 32O 1pz -0.002691 0.000015 -0.001175 -0.001995 0.003256 -0.001219 32O 1px -0.001981 0.000335 0.002234 -0.001941 -0.008289 -0.000004 32O 1py -0.000439 0.000943 0.002936 -0.000124 0.001368 -0.004081 32O 2pz 0.018032 -0.001564 0.004699 0.008167 -0.007895 0.005524 32O 2px 0.011672 -0.001932 -0.008657 0.008914 0.018313 -0.000896 32O 2py -0.001575 -0.001845 -0.007582 -0.000880 -0.004178 0.014737 32O 3pz 0.028542 -0.005133 -0.013518 -0.048974 0.020153 -0.011833 32O 3px 0.014540 -0.005156 -0.011197 -0.029036 -0.065303 0.023665 32O 3py -0.018839 0.007129 0.052567 -0.016241 0.000545 -0.015691 32O 1dz2 0.005229 -0.002058 -0.005954 -0.003759 -0.015403 0.002044 32O 1dxz -0.005346 -0.000166 0.000725 0.010349 -0.020412 0.004505 32O 1dyz -0.003661 0.001399 0.000672 0.008576 -0.000471 0.000605 32O 1dx2y2 -0.003280 -0.000761 0.002606 0.003646 0.019613 -0.006530 32O 1dxy -0.003508 0.000215 0.008085 -0.000219 0.004613 -0.000203 32O 2dz2 0.006029 -0.000159 -0.002222 -0.002320 0.000515 0.001082 32O 2dxz -0.007572 0.000903 0.000380 0.005034 0.002639 -0.000748 32O 2dyz 0.005833 -0.001015 0.002145 0.003350 -0.000516 0.000928 32O 2dx2y2 -0.002785 0.001044 0.002060 0.001023 -0.004452 0.001959 32O 2dxy 0.004926 -0.001168 -0.003197 0.002551 0.000564 0.000125 32O 1f0 0.030209 -0.000880 -0.000237 -0.023885 0.002986 -0.004901 32O 1f+1 -0.004462 -0.007769 0.005145 0.049061 -0.011493 0.009436 32O 1f-1 0.002787 -0.003445 -0.014477 -0.001240 -0.020096 0.002423 32O 1f+2 0.056530 -0.007569 -0.037681 -0.068928 -0.022851 0.006494 32O 1f-2 -0.007659 -0.001437 -0.007788 0.031715 -0.024317 0.006075 32O 1f+3 -0.022947 0.008845 0.007052 0.038138 -0.031350 0.006519 32O 1f-3 0.022002 -0.004620 -0.025822 -0.012268 -0.012650 0.007253 33O 1s -0.000260 -0.000091 -0.002604 0.008364 0.006381 -0.003268 33O 2s -0.000864 -0.000280 -0.008006 0.025709 0.020357 -0.010010 33O 3s 0.007932 0.000992 0.055235 -0.179546 -0.180720 0.085516 33O 4s -0.022733 0.007598 -0.046511 0.175488 0.342423 -0.194005 33O 5s 0.062537 0.016383 0.139286 -0.521618 -0.458369 -0.093542 33O 1pz 0.015597 -0.011158 0.005976 -0.017727 -0.028341 0.007893 33O 1px 0.010760 -0.007493 -0.019731 0.059129 0.054113 -0.046367 33O 1py -0.027660 0.018666 -0.002936 0.013306 0.004274 -0.014410 33O 2pz -0.032491 0.033246 0.030815 -0.102294 0.017504 -0.039856 33O 2px -0.027280 0.012684 -0.003063 0.018230 -0.090917 0.134624 33O 2py 0.066583 -0.045768 0.015450 -0.061456 -0.027584 0.028479 33O 3pz 0.008878 -0.020672 -0.006178 -0.006701 0.132301 0.215559 33O 3px 0.005324 -0.015403 -0.047590 0.120958 0.119045 0.005837 33O 3py -0.048187 0.022949 0.019267 0.067147 0.129088 0.130424 33O 1dz2 -0.016144 0.026471 -0.010680 -0.007759 -0.022023 0.014813 33O 1dxz 0.050381 -0.035974 0.019298 -0.045847 -0.039395 0.028677 33O 1dyz 0.028645 -0.035050 -0.008960 0.055996 0.012851 0.022531 33O 1dx2y2 0.064487 -0.043759 -0.019760 0.071559 0.064460 -0.017578 33O 1dxy -0.087296 0.070215 -0.027362 0.040020 0.034196 0.006738 33O 2dz2 0.003112 -0.000869 0.002500 -0.001373 -0.001432 0.003360 33O 2dxz 0.000216 -0.003791 -0.021775 0.073074 0.009488 -0.005117 33O 2dyz 0.001297 -0.002843 -0.003542 0.003768 0.000736 0.010267 33O 2dx2y2 0.004053 -0.001119 0.014118 -0.040553 -0.002443 0.009150 33O 2dxy -0.004472 0.004044 -0.005394 0.018449 0.006374 0.009815 33O 1f0 0.173140 -0.157593 0.010488 0.081581 0.022324 0.033136 33O 1f+1 0.103203 -0.102260 0.014290 0.064551 0.056722 0.071971 33O 1f-1 -0.068406 0.035201 -0.085371 0.259228 0.232501 0.290163 33O 1f+2 -0.057785 0.033684 0.013086 -0.009401 0.015057 -0.041732 33O 1f-2 -0.125725 0.111046 0.024189 -0.142286 -0.063254 -0.015972 33O 1f+3 0.299724 -0.232227 -0.006595 0.118260 0.127882 0.124622 33O 1f-3 -0.232644 0.184779 -0.123805 0.244425 0.202291 0.162650 34O 1s -0.000981 -0.000134 0.008269 0.002593 0.006391 0.003423 34O 2s -0.003280 -0.000475 0.025358 0.008045 0.020385 0.010617 34O 3s 0.026283 0.005617 -0.174031 -0.057645 -0.180407 -0.093968 34O 4s -0.045012 -0.017763 0.145549 0.060676 0.336169 0.222585 34O 5s 0.132920 -0.014080 -0.469142 -0.125282 -0.470366 0.169218 34O 1pz 0.006054 -0.016240 0.018651 0.003725 0.010677 0.019003 34O 1px 0.006466 -0.000514 -0.060788 -0.019203 -0.060962 -0.045790 34O 1py 0.007365 -0.011099 -0.012885 -0.005360 0.000254 -0.015878 34O 2pz -0.013662 0.043776 -0.039484 -0.008531 -0.032095 -0.043810 34O 2px 0.006586 -0.003797 -0.071501 -0.014293 0.081925 0.157394 34O 2py -0.027803 0.030590 0.087910 0.031980 0.029190 0.024486 34O 3pz -0.021193 -0.026993 0.081461 -0.005061 0.131920 -0.121210 34O 3px -0.001186 -0.002788 -0.099619 0.002438 -0.031382 -0.079146 34O 3py 0.059762 -0.016988 -0.066559 -0.064465 -0.181913 0.193285 34O 1dz2 0.025299 -0.034579 -0.063136 -0.019418 -0.041607 -0.005869 34O 1dxz -0.024156 0.062433 -0.021025 -0.022178 -0.038388 -0.007712 34O 1dyz 0.009333 -0.003929 -0.065294 -0.016792 -0.027213 0.019871 34O 1dx2y2 0.000202 0.005999 0.060106 0.012425 0.058798 0.034933 34O 1dxy -0.020638 0.047181 -0.002894 -0.009176 0.015638 0.003289 34O 2dz2 -0.002041 -0.002233 0.037464 0.012127 0.004839 0.005286 34O 2dxz -0.002973 0.006277 0.009529 0.002888 -0.000150 0.005867 34O 2dyz 0.001520 0.000093 -0.017658 -0.007551 -0.006071 0.013663 34O 2dx2y2 0.007256 -0.000782 -0.072104 -0.017329 -0.008398 0.000054 34O 2dxy -0.003641 0.003218 0.026668 0.009536 0.007025 -0.001349 34O 1f0 -0.000615 -0.038821 0.064155 0.035908 0.045974 0.019903 34O 1f+1 0.107423 -0.233036 -0.114169 0.006435 -0.095953 0.081783 34O 1f-1 0.009584 -0.029173 0.079938 0.008843 0.046450 -0.022945 34O 1f+2 -0.071688 0.126530 -0.074129 -0.057679 -0.135144 0.191410 34O 1f-2 0.013411 0.045586 -0.364744 -0.135692 -0.293316 0.289600 34O 1f+3 -0.065154 0.078416 0.090706 0.023801 0.029559 -0.081718 34O 1f-3 0.069575 -0.151005 -0.049653 0.019066 -0.045632 0.073854 35O 1s -0.000363 -0.000086 -0.002523 0.008135 0.006453 0.003672 35O 2s -0.001259 -0.000235 -0.007767 0.025033 0.020634 0.011271 35O 3s 0.012653 -0.000226 0.053783 -0.172679 -0.183732 -0.095869 35O 4s -0.030862 0.008901 -0.042425 0.138624 0.345708 0.211723 35O 5s 0.025293 0.027462 0.106903 -0.497346 -0.459489 0.157331 35O 1pz 0.015538 -0.012249 -0.006045 0.019359 0.005850 0.022488 35O 1px 0.011779 -0.006126 0.018499 -0.056994 -0.061378 -0.048513 35O 1py -0.027048 0.019520 0.004295 -0.008101 -0.019731 -0.004211 35O 2pz -0.039303 0.036103 0.024137 -0.081787 -0.033829 -0.046394 35O 2px -0.031035 0.025877 0.014833 -0.072142 0.093264 0.145819 35O 2py 0.067145 -0.046399 0.017212 -0.079912 0.015874 0.026632 35O 3pz 0.005491 -0.020630 -0.052269 0.118307 0.186934 -0.188037 35O 3px 0.010692 -0.003771 0.001963 -0.106937 -0.064905 -0.038774 35O 3py -0.050250 0.034201 0.011048 0.056770 0.094223 -0.132465 35O 1dz2 0.046918 -0.024998 0.000537 -0.009302 -0.024714 -0.026183 35O 1dxz -0.035744 0.037324 0.000552 -0.034842 -0.039423 -0.007040 35O 1dyz -0.051574 0.033404 -0.021073 0.053842 0.011519 -0.017475 35O 1dx2y2 -0.038942 0.040705 -0.034383 0.066161 0.068189 0.027248 35O 1dxy 0.086162 -0.072562 -0.005295 0.057244 0.032706 0.014040 35O 2dz2 0.002767 -0.003469 -0.012079 0.052323 0.006437 -0.001466 35O 2dxz -0.005890 0.006595 0.005307 -0.012985 -0.003170 0.005813 35O 2dyz -0.005175 0.003694 -0.005024 0.012715 0.003001 -0.010098 35O 2dx2y2 -0.003200 0.005995 0.015134 -0.050220 -0.004665 -0.009689 35O 2dxy 0.005128 -0.003238 0.013002 -0.047318 -0.003497 -0.007503 35O 1f0 0.041978 -0.054353 0.019550 0.041149 0.043111 -0.048422 35O 1f+1 0.255883 -0.213609 -0.021881 0.183405 0.079973 -0.070511 35O 1f-1 0.044452 -0.026934 -0.015919 0.046949 0.059185 -0.154766 35O 1f+2 0.024599 -0.023047 0.102252 -0.279626 -0.227944 0.230113 35O 1f-2 -0.244091 0.182566 -0.107816 0.249729 0.170142 -0.152229 35O 1f+3 0.101255 -0.093490 0.054346 -0.088056 -0.098112 0.054276 35O 1f-3 -0.289295 0.234536 -0.008023 -0.120197 -0.102797 0.060353 654 655 656 657 658 659 5.58220 5.60439 5.70412 5.70587 5.78370 5.81782 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s 0.000006 0.000017 -0.000012 0.000079 -0.001640 -0.000050 0Rh 2s -0.000051 -0.000276 0.000191 -0.000463 0.017980 0.000553 0Rh 3s 0.000006 -0.000063 0.000041 0.000202 0.000722 0.000026 0Rh 4s 0.000314 0.001609 -0.001128 0.002963 -0.108592 -0.003341 0Rh 5s -0.000858 -0.004403 0.003209 -0.007948 0.300089 0.009245 0Rh 6s 0.001157 0.006120 -0.004911 0.009440 -0.410651 -0.012684 0Rh 7s -0.002483 -0.015951 -0.004652 0.005230 1.029204 0.028745 0Rh 8s -0.000284 -0.008084 -0.004016 0.023749 0.015526 0.004005 0Rh 1pz -0.000775 0.000736 0.054819 0.002546 -0.000244 0.001841 0Rh 1px -0.000457 0.000211 0.016954 0.008076 -0.005273 0.000327 0Rh 1py -0.000862 0.001195 0.004468 -0.057140 -0.002348 0.001450 0Rh 2pz 0.003211 -0.003066 -0.226978 -0.010533 0.000853 -0.007663 0Rh 2px 0.001890 -0.000877 -0.070173 -0.033477 0.022466 -0.001345 0Rh 2py 0.003562 -0.004948 -0.018492 0.236587 0.009862 -0.006019 0Rh 3pz -0.010220 0.010050 0.716214 0.032946 0.000891 0.024828 0Rh 3px -0.005953 0.002851 0.220840 0.106517 -0.084437 0.003968 0Rh 3py -0.011180 0.015692 0.058180 -0.746434 -0.034008 0.019139 0Rh 4pz 0.013141 -0.013425 -0.890180 -0.039545 -0.014218 -0.032349 0Rh 4px 0.007441 -0.003687 -0.272182 -0.135897 0.151195 -0.003886 0Rh 4py 0.013847 -0.020042 -0.071652 0.927132 0.051704 -0.023563 0Rh 5pz -0.008053 0.007790 0.460846 0.015299 0.039697 0.018441 0Rh 5px -0.004027 0.001835 0.133460 0.081137 -0.181975 -0.000397 0Rh 5py -0.007172 0.012325 0.035369 -0.477606 -0.044560 0.009848 0Rh 6pz 0.004156 0.000420 -0.569187 0.049935 -0.159746 -0.007749 0Rh 6px 0.001122 0.005015 -0.073735 -0.207133 0.379476 0.007465 0Rh 6py -0.002758 -0.039926 -0.030925 0.553818 -0.054260 -0.000559 0Rh 1dz2 0.004853 -0.013795 -0.000383 -0.000834 0.000177 -0.004966 0Rh 1dxz -0.000661 0.000790 0.001968 -0.000652 0.000275 0.000568 0Rh 1dyz 0.011107 -0.032906 0.000384 -0.000169 0.000430 -0.011404 0Rh 1dx2y2 0.001511 -0.004768 0.000033 0.001137 0.000035 -0.001573 0Rh 1dxy 0.004404 -0.013124 0.000221 -0.001599 0.000108 -0.004560 0Rh 2dz2 -0.003167 0.007054 -0.000747 0.000261 -0.001902 0.004239 0Rh 2dxz 0.000305 -0.000529 0.001109 -0.000064 -0.002238 -0.000544 0Rh 2dyz -0.007732 0.017231 0.000322 0.000895 -0.000777 0.010343 0Rh 2dx2y2 -0.001143 0.002397 0.000565 0.000664 0.003335 0.001619 0Rh 2dxy -0.002981 0.006733 0.000253 -0.001178 0.001246 0.004058 0Rh 3dz2 -0.008821 0.034177 0.005351 0.002931 0.008394 0.004637 0Rh 3dxz 0.001823 -0.001354 -0.014965 0.003608 0.009539 -0.000260 0Rh 3dyz -0.017880 0.079632 -0.003452 -0.003394 0.001616 0.007651 0Rh 3dx2y2 -0.001996 0.012021 -0.002780 -0.008835 -0.016468 0.000120 0Rh 3dxy -0.007494 0.032463 -0.002296 0.013396 -0.006621 0.003434 0Rh 4dz2 0.004159 -0.037292 -0.012785 -0.005436 -0.027952 0.011126 0Rh 4dxz -0.002708 0.000154 0.034546 -0.008713 -0.031955 -0.001919 0Rh 4dyz 0.002269 -0.083247 0.008751 0.010554 -0.007533 0.035541 0Rh 4dx2y2 -0.001082 -0.013481 0.007218 0.021820 0.052743 0.007960 0Rh 4dxy 0.002150 -0.035661 0.005715 -0.030567 0.020591 0.012972 0Rh 5dz2 0.063577 -0.102623 0.013239 0.006462 0.083508 -0.131038 0Rh 5dxz -0.000630 0.013112 -0.045578 0.020789 0.095043 0.014861 0Rh 5dyz 0.169337 -0.260785 -0.017101 -0.023993 0.029568 -0.335902 0Rh 5dx2y2 0.027849 -0.034711 -0.009503 -0.042749 -0.150977 -0.056278 0Rh 5dxy 0.063903 -0.094520 -0.009730 0.032695 -0.054084 -0.129770 0Rh 1f0 -0.000667 -0.001038 0.000945 0.002003 0.000009 -0.002424 0Rh 1f+1 0.000570 0.001296 0.000401 0.000972 -0.000758 0.003882 0Rh 1f-1 -0.001197 -0.001244 -0.003637 0.003364 -0.002228 -0.003355 0Rh 1f+2 -0.000257 -0.001346 0.002356 0.001973 0.000318 -0.002708 0Rh 1f-2 0.001727 0.003412 0.000453 0.002043 -0.000953 0.008350 0Rh 1f+3 -0.000216 -0.000190 -0.001810 0.000052 -0.001063 -0.001139 0Rh 1f-3 -0.001136 -0.001906 0.000266 -0.000171 0.000208 -0.004109 1Rh 1s 0.000009 -0.000016 0.000011 -0.000075 -0.001638 -0.000049 1Rh 2s -0.000094 0.000267 -0.000186 0.000434 0.017969 0.000547 1Rh 3s -0.000001 0.000063 -0.000041 -0.000195 0.000727 0.000026 1Rh 4s 0.000564 -0.001558 0.001101 -0.002783 -0.108520 -0.003303 1Rh 5s -0.001537 0.004267 -0.003143 0.007473 0.299905 0.009140 1Rh 6s 0.002068 -0.005946 0.004875 -0.008915 -0.410474 -0.012543 1Rh 7s -0.004697 0.015989 0.003472 -0.005862 1.028685 0.028499 1Rh 8s -0.000013 0.008099 0.005442 -0.023904 0.015685 0.003925 1Rh 1pz 0.000734 0.000656 0.054882 0.002533 0.000210 -0.001757 1Rh 1px 0.000450 0.000170 0.016861 0.008189 0.005329 -0.000352 1Rh 1py 0.000883 0.001085 0.004481 -0.057139 0.002314 -0.001444 1Rh 2pz -0.003043 -0.002735 -0.227242 -0.010481 -0.000712 0.007311 1Rh 2px -0.001860 -0.000708 -0.069788 -0.033946 -0.022701 0.001448 1Rh 2py -0.003650 -0.004496 -0.018545 0.236587 -0.009719 0.005997 1Rh 3pz 0.009692 0.009014 0.717049 0.032790 -0.001337 -0.023699 1Rh 3px 0.005852 0.002316 0.219628 0.108007 0.085193 -0.004304 1Rh 3py 0.011464 0.014321 0.058348 -0.746442 0.033559 -0.019077 1Rh 4pz -0.012489 -0.012145 -0.891214 -0.039380 0.014767 0.030911 1Rh 4px -0.007289 -0.003017 -0.270668 -0.137769 -0.152168 0.004334 1Rh 4py -0.014217 -0.018483 -0.071865 0.927161 -0.051154 0.023501 1Rh 5pz 0.007734 0.007108 0.461381 0.015250 -0.039953 -0.017674 1Rh 5px 0.003867 0.001534 0.132574 0.082083 0.182524 0.000128 1Rh 5py 0.007421 0.011785 0.035493 -0.477612 0.044329 -0.009824 1Rh 6pz -0.003811 0.001676 -0.571402 0.052919 0.161366 0.007183 1Rh 6px -0.000574 0.004259 -0.072570 -0.205372 -0.379919 -0.007378 1Rh 6py 0.001835 -0.038612 -0.032819 0.551823 0.052976 0.000223 1Rh 1dz2 0.004822 0.013812 0.000391 0.000837 0.000181 -0.004970 1Rh 1dxz -0.000692 -0.000787 -0.001965 0.000641 0.000285 0.000564 1Rh 1dyz 0.011083 0.032936 -0.000382 0.000176 0.000455 -0.011427 1Rh 1dx2y2 0.001557 0.004746 -0.000023 -0.001121 0.000032 -0.001570 1Rh 1dxy 0.004384 0.013140 -0.000234 0.001598 0.000094 -0.004540 1Rh 2dz2 -0.003150 -0.007053 0.000746 -0.000260 -0.001905 0.004236 1Rh 2dxz 0.000322 0.000534 -0.001111 0.000064 -0.002238 -0.000548 1Rh 2dyz -0.007719 -0.017242 -0.000325 -0.000889 -0.000785 0.010352 1Rh 2dx2y2 -0.001162 -0.002395 -0.000567 -0.000667 0.003336 0.001619 1Rh 2dxy -0.002980 -0.006735 -0.000254 0.001181 0.001249 0.004052 1Rh 3dz2 -0.008747 -0.034271 -0.005380 -0.002950 0.008389 0.004668 1Rh 3dxz 0.001895 0.001312 0.014963 -0.003554 0.009488 -0.000225 1Rh 3dyz -0.017821 -0.079726 0.003461 0.003331 0.001530 0.007731 1Rh 3dx2y2 -0.002132 -0.011924 0.002734 0.008765 -0.016462 0.000106 1Rh 3dxy -0.007399 -0.032534 0.002364 -0.013408 -0.006567 0.003366 1Rh 4dz2 0.004081 0.037512 0.012829 0.005492 -0.027951 0.011042 1Rh 4dxz -0.002781 -0.000038 -0.034562 0.008594 -0.031835 -0.002020 1Rh 4dyz 0.002209 0.083410 -0.008792 -0.010379 -0.007378 0.035384 1Rh 4dx2y2 -0.000885 0.013280 -0.007123 -0.021669 0.052727 0.007995 1Rh 4dxy 0.001954 0.035816 -0.005872 0.030618 0.020472 0.013100 1Rh 5dz2 0.063387 0.102164 -0.013165 -0.006717 0.083568 -0.130756 1Rh 5dxz -0.000811 -0.013444 0.045698 -0.020586 0.094727 0.015135 1Rh 5dyz 0.169129 0.260671 0.017283 0.023470 0.029428 -0.335493 1Rh 5dx2y2 0.027840 0.035023 0.009359 0.042522 -0.150955 -0.056326 1Rh 5dxy 0.064194 0.094265 0.009989 -0.032919 -0.053794 -0.129922 1Rh 1f0 0.000676 -0.001009 0.000957 0.001991 -0.000013 0.002409 1Rh 1f+1 -0.000585 0.001298 0.000377 0.000973 0.000747 -0.003868 1Rh 1f-1 0.001191 -0.001221 -0.003669 0.003390 0.002249 0.003370 1Rh 1f+2 0.000234 -0.001335 0.002347 0.001912 -0.000377 0.002733 1Rh 1f-2 -0.001743 0.003411 0.000458 0.002015 0.000886 -0.008308 1Rh 1f+3 0.000193 -0.000192 -0.001846 0.000083 0.001085 0.001159 1Rh 1f-3 0.001154 -0.001868 0.000239 -0.000162 -0.000214 0.004113 2C 1s 0.005975 0.001363 0.001154 -0.000750 0.002038 -0.001812 2C 2s 0.011119 0.001581 -0.002273 0.001283 0.001936 -0.001502 2C 3s 0.031832 0.019573 0.080495 -0.049846 -0.070594 0.010576 2C 4s -0.563946 -0.093936 0.003356 0.011393 0.630324 -0.342567 2C 5s 0.904700 -0.139265 -0.538233 0.319217 -0.435372 1.131737 2C 1pz -0.037877 -0.008225 0.017075 -0.009094 -0.011022 0.002526 2C 1px -0.004225 0.026120 0.004645 -0.002091 0.000226 -0.002853 2C 1py -0.026762 0.004918 0.010751 -0.008008 -0.008767 0.003088 2C 2pz -0.316760 0.132294 0.080546 -0.058787 0.357477 -0.214709 2C 2px -0.137564 -0.247832 -0.033505 0.009257 -0.002621 0.036264 2C 2py -0.175049 -0.013044 0.056837 -0.015332 0.265216 -0.166514 2C 3pz 0.198345 -0.027487 -0.132849 0.099750 -0.080192 0.255216 2C 3px 0.070108 -0.000943 -0.013211 0.015931 0.031784 0.008417 2C 3py 0.122425 -0.016770 -0.104995 0.030547 -0.065631 0.169426 2C 1dz2 -0.040986 0.024851 -0.015499 0.008742 -0.009847 0.015399 2C 1dxz -0.017355 -0.036659 -0.008907 0.005750 -0.007119 0.009652 2C 1dyz -0.061291 0.006542 -0.021358 0.013418 -0.011524 0.023801 2C 1dx2y2 0.020808 -0.001997 0.010608 -0.006366 0.011384 -0.014030 2C 1dxy -0.011964 -0.027477 -0.003349 -0.001230 0.000404 0.002356 2C 2dz2 -0.058399 0.119153 0.001328 0.002370 0.061414 -0.037911 2C 2dxz 0.013082 -0.154476 0.076562 -0.044940 0.138796 -0.112899 2C 2dyz -0.119313 0.038066 -0.035287 0.018797 0.040447 -0.011755 2C 2dx2y2 0.001853 -0.019653 -0.020137 0.013917 -0.061031 0.046843 2C 2dxy -0.036947 -0.119710 0.015909 -0.015546 0.026347 -0.014665 2C 1f0 -0.011667 0.065689 -0.030583 0.021446 -0.023317 0.023760 2C 1f+1 -0.021351 -0.061650 -0.060941 0.034734 -0.058110 0.058374 2C 1f-1 -0.033794 0.025822 -0.043517 0.025903 -0.011928 0.020216 2C 1f+2 0.033688 -0.010309 0.067826 -0.042323 0.052698 -0.056724 2C 1f-2 -0.016756 -0.112955 -0.021576 0.011973 -0.000923 0.009238 2C 1f+3 0.007009 -0.015396 0.008583 -0.004680 0.008822 -0.009223 2C 1f-3 -0.013062 0.035991 -0.045736 0.026469 -0.050918 0.048132 3C 1s -0.005948 -0.000628 0.000775 0.001094 0.001974 0.001930 3C 2s -0.011107 -0.000568 -0.001221 -0.002364 0.001922 0.001610 3C 3s -0.031763 -0.006606 0.049886 0.079819 -0.067628 -0.014499 3C 4s 0.562382 0.002240 -0.006512 0.007571 0.602025 0.387794 3C 5s -0.906066 0.165156 -0.307763 -0.538450 -0.373850 -1.159126 3C 1pz 0.025813 0.007182 0.006888 0.009691 -0.009647 -0.005795 3C 1px 0.013121 -0.025989 0.004987 0.005463 -0.001717 0.001047 3C 1py -0.036303 -0.002978 -0.008885 -0.017445 0.009844 0.001953 3C 2pz 0.099549 -0.121876 0.028164 0.065463 0.278237 0.222690 3C 2px 0.149165 0.225428 -0.003291 0.011860 0.077933 0.040562 3C 2py -0.347194 0.117962 -0.066883 -0.068913 -0.327216 -0.217808 3C 3pz -0.088405 0.021050 -0.023163 -0.097329 -0.072072 -0.179733 3C 3px -0.094177 0.008255 -0.025485 -0.051343 -0.008093 -0.066139 3C 3py 0.207261 -0.032159 0.096599 0.129301 0.051752 0.248594 3C 1dz2 -0.010150 -0.011080 -0.001918 0.002101 -0.003121 -0.001386 3C 1dxz 0.021718 0.017933 -0.004284 -0.010119 -0.007614 -0.012097 3C 1dyz -0.056030 0.023756 0.009870 0.017852 0.008761 0.021107 3C 1dx2y2 -0.039140 0.025748 0.012008 0.017241 0.011811 0.019146 3C 1dxy -0.032974 -0.031018 0.007303 0.013112 0.005945 0.014192 3C 2dz2 -0.036390 -0.049511 -0.014389 -0.024219 -0.027174 -0.020572 3C 2dxz 0.013650 0.071596 0.021757 0.026007 0.066382 0.057086 3C 2dyz -0.133522 0.103395 0.028123 0.060836 0.009315 0.035000 3C 2dx2y2 -0.025828 0.117210 -0.016073 -0.024172 -0.111952 -0.092816 3C 2dxy -0.030645 -0.139190 -0.020992 -0.040029 -0.094950 -0.086987 3C 1f0 -0.005315 0.008324 -0.001369 -0.003138 -0.023263 -0.020100 3C 1f+1 0.013908 -0.023928 -0.021842 -0.037788 -0.039110 -0.043465 3C 1f-1 -0.005325 0.047072 0.000403 0.003514 0.008819 0.007467 3C 1f+2 -0.031904 0.047365 0.024056 0.037879 0.009437 0.019132 3C 1f-2 -0.033000 -0.065753 0.038855 0.062871 0.042428 0.054792 3C 1f+3 0.026137 0.061084 -0.032298 -0.059043 -0.043399 -0.051963 3C 1f-3 -0.021388 0.088761 0.034836 0.055910 0.051072 0.057309 4C 1s 0.008878 -0.000331 -0.026151 0.015612 -0.017948 0.013034 4C 2s 0.018778 -0.000861 -0.046384 0.027794 -0.031272 0.020763 4C 3s -0.325059 0.003411 0.117898 -0.079548 0.086126 0.120953 4C 4s 1.047903 -0.029787 0.703591 -0.375944 0.343947 -1.147345 4C 5s -0.227874 0.056087 -0.060920 0.072519 0.193295 -0.254610 4C 1pz 0.001783 0.008747 0.028329 -0.017995 -0.018341 0.037551 4C 1px -0.006416 -0.025632 0.011590 -0.009181 -0.014023 0.015180 4C 1py -0.000739 -0.003267 0.020859 -0.012743 -0.016580 0.029686 4C 2pz -0.351243 0.135001 0.550257 -0.310689 0.832482 -0.848767 4C 2px -0.066974 -0.330714 0.043826 -0.046676 0.164284 -0.128194 4C 2py -0.236247 -0.048029 0.371970 -0.214210 0.579164 -0.578031 4C 3pz 0.726114 -0.146699 -0.577518 0.314781 -0.066540 0.758022 4C 3px 0.133265 0.241945 -0.145700 0.071041 -0.054233 0.149271 4C 3py 0.492105 -0.002692 -0.355287 0.294104 -0.045479 0.519127 4C 1dz2 -0.003118 -0.002692 0.104961 -0.059996 0.103206 -0.099993 4C 1dxz 0.011940 0.004398 0.023509 -0.016429 0.030582 -0.027825 4C 1dyz -0.034622 0.004232 0.201391 -0.121771 0.161812 -0.164091 4C 1dx2y2 -0.023186 0.002612 -0.009864 0.007429 -0.039238 0.034021 4C 1dxy -0.020683 0.002872 0.059232 -0.036289 0.031614 -0.034843 4C 2dz2 0.064607 0.281917 -0.133861 0.062489 -0.195538 0.158657 4C 2dxz 0.018492 -0.483481 -0.147249 0.059768 -0.122435 0.137027 4C 2dyz 0.120013 0.007020 -0.044256 0.039649 -0.138408 0.111152 4C 2dx2y2 -0.012056 -0.031644 0.235185 -0.146237 0.252381 -0.239179 4C 2dxy 0.037602 -0.363616 0.091005 -0.060480 0.091287 -0.080248 4C 1f0 -0.035295 -0.051251 -0.076892 0.034603 -0.073066 0.077180 4C 1f+1 -0.059937 0.062236 -0.166148 0.092891 -0.160228 0.162574 4C 1f-1 -0.198499 -0.067339 0.044450 -0.027850 0.030258 0.009493 4C 1f+2 0.114587 -0.032639 0.104256 -0.064039 0.112445 -0.130833 4C 1f-2 -0.066323 0.136192 0.014751 -0.005586 0.011955 0.000287 4C 1f+3 -0.023959 -0.013791 0.031382 -0.017220 0.033970 -0.027574 4C 1f-3 -0.029044 -0.076815 -0.144744 0.092323 -0.141828 0.138884 5C 1s -0.008730 0.000580 -0.015868 -0.026377 -0.017367 -0.014588 5C 2s -0.018529 0.001339 -0.028169 -0.046874 -0.030331 -0.023490 5C 3s 0.327531 -0.023613 0.075808 0.124360 0.087112 -0.115950 5C 4s -1.066470 0.104979 0.404897 0.691165 0.312349 1.194228 5C 5s 0.230351 -0.063191 -0.042693 -0.059683 0.195319 0.268872 5C 1pz -0.001632 -0.005619 0.008522 0.018931 -0.012410 -0.024653 5C 1px 0.001469 0.024459 0.012403 0.008370 -0.003814 -0.018211 5C 1py -0.000442 0.002657 -0.018816 -0.031907 0.019057 0.040649 5C 2pz 0.197930 -0.154801 0.205862 0.344833 0.509042 0.571627 5C 2px 0.135315 0.338428 0.124785 0.204385 0.258951 0.339087 5C 2py -0.347011 0.120761 -0.320269 -0.525553 -0.794428 -0.900979 5C 3pz -0.443293 0.127994 -0.250355 -0.302704 -0.007756 -0.459366 5C 3px -0.260845 -0.205885 -0.138623 -0.222343 0.003779 -0.294277 5C 3py 0.727076 -0.128324 0.296416 0.590568 0.031853 0.763148 5C 1dz2 -0.023861 0.001505 -0.037507 -0.061831 -0.034230 -0.039608 5C 1dxz -0.009470 -0.000679 0.022291 0.030734 0.044145 0.045348 5C 1dyz -0.037091 0.004328 -0.114087 -0.192493 -0.137247 -0.162120 5C 1dx2y2 0.011699 0.000710 -0.040911 -0.076479 -0.080940 -0.088738 5C 1dxy -0.006573 0.005889 -0.058155 -0.088782 -0.078617 -0.087053 5C 2dz2 0.037271 -0.176414 -0.090058 -0.122089 -0.087534 -0.112278 5C 2dxz -0.022967 0.246304 -0.101655 -0.145545 -0.184003 -0.181783 5C 2dyz 0.115065 0.202381 0.013899 0.005161 0.067480 0.063327 5C 2dx2y2 0.044763 0.271561 0.137284 0.254006 0.262302 0.285681 5C 2dxy 0.059048 -0.482650 0.047015 0.066754 0.136879 0.121628 5C 1f0 -0.106498 -0.033923 -0.066009 -0.111375 -0.097731 -0.081242 5C 1f+1 0.016422 0.058786 -0.077208 -0.110058 -0.107027 -0.121974 5C 1f-1 -0.020163 -0.060963 -0.000910 -0.013090 -0.007474 -0.001934 5C 1f+2 -0.135190 -0.037758 -0.019443 -0.030142 -0.018964 0.007178 5C 1f-2 -0.123885 0.130138 0.053662 0.089123 0.087859 0.118802 5C 1f+3 0.118837 -0.028060 -0.064151 -0.101824 -0.103013 -0.132916 5C 1f-3 -0.061930 -0.078788 0.082717 0.155789 0.139761 0.163702 6C 1s -0.008725 -0.000588 0.015855 0.026371 -0.017387 -0.014578 6C 2s -0.018517 -0.001359 0.028145 0.046862 -0.030375 -0.023478 6C 3s 0.326767 0.024324 -0.075702 -0.124320 0.088205 -0.115566 6C 4s -1.063108 -0.108697 -0.404619 -0.690862 0.308247 1.191545 6C 5s 0.228460 0.065011 0.042232 0.060713 0.194422 0.268529 6C 1pz 0.001524 -0.005684 0.008484 0.019094 0.012328 0.024674 6C 1px -0.001366 0.024545 0.012495 0.008254 0.003839 0.018276 6C 1py 0.000524 0.002693 -0.018766 -0.032038 -0.018964 -0.040708 6C 2pz -0.197046 -0.154816 0.205862 0.343152 -0.508340 -0.571468 6C 2px -0.135853 0.338109 0.123630 0.203654 -0.258892 -0.338209 6C 2py 0.345864 0.120801 -0.320519 -0.523889 0.794287 0.901429 6C 3pz 0.442698 0.130546 -0.250059 -0.304207 0.007594 0.460917 6C 3px 0.260178 -0.205117 -0.138286 -0.221882 -0.004025 0.295377 6C 3py -0.726344 -0.132435 0.295433 0.592919 -0.031028 -0.765670 6C 1dz2 -0.023902 -0.001619 0.037521 0.061838 -0.034262 -0.039628 6C 1dxz -0.009519 0.000698 -0.022258 -0.030605 0.044159 0.045307 6C 1dyz -0.037088 -0.004356 0.113931 0.192403 -0.137228 -0.162149 6C 1dx2y2 0.011648 -0.000618 0.040866 0.076520 -0.081004 -0.088840 6C 1dxy -0.006580 -0.005779 0.058051 0.088790 -0.078696 -0.087050 6C 2dz2 0.037216 0.177006 0.089744 0.121683 -0.087109 -0.111716 6C 2dxz -0.023039 -0.245999 0.101707 0.144981 -0.183557 -0.181475 6C 2dyz 0.114363 -0.202400 -0.013583 -0.004641 0.067724 0.063692 6C 2dx2y2 0.044526 -0.272074 -0.137198 -0.253302 0.262108 0.285586 6C 2dxy 0.059125 0.482745 -0.046958 -0.066171 0.136427 0.121392 6C 1f0 0.106279 -0.033913 -0.065979 -0.111139 0.097649 0.081160 6C 1f+1 -0.016199 0.058750 -0.077120 -0.110083 0.107031 0.121917 6C 1f-1 0.019938 -0.061065 -0.000826 -0.012862 0.007311 0.001837 6C 1f+2 0.134901 -0.037538 -0.019452 -0.030073 0.019142 -0.007024 6C 1f-2 0.124004 0.130521 0.053753 0.089183 -0.087890 -0.118962 6C 1f+3 -0.118713 -0.028430 -0.064067 -0.101604 0.102815 0.132736 6C 1f-3 0.061676 -0.078702 0.082599 0.155772 -0.139693 -0.163641 7C 1s 0.008872 0.000328 0.026123 -0.015596 -0.017970 0.013046 7C 2s 0.018766 0.000859 0.046335 -0.027770 -0.031320 0.020787 7C 3s -0.324871 -0.003246 -0.117569 0.079557 0.087102 0.120750 7C 4s 1.047371 0.029690 -0.703555 0.374972 0.340379 -1.147055 7C 5s -0.227853 -0.058199 0.062295 -0.072319 0.191743 -0.255491 7C 1pz -0.001916 0.008859 0.028271 -0.017836 0.018260 -0.037450 7C 1px 0.006643 -0.025946 0.011768 -0.009406 0.013861 -0.015121 7C 1py 0.000794 -0.003302 0.021067 -0.012853 0.016480 -0.029697 7C 2pz 0.350508 0.134248 0.548577 -0.309866 -0.831298 0.848057 7C 2px 0.067394 -0.328627 0.042504 -0.045346 -0.162100 0.126551 7C 2py 0.237486 -0.047604 0.370673 -0.213271 -0.579420 0.578854 7C 3pz -0.725296 -0.150644 -0.574653 0.317190 0.066950 -0.757909 7C 3px -0.132449 0.242912 -0.146173 0.072290 0.054736 -0.148621 7C 3py -0.493476 -0.004802 -0.355541 0.297328 0.046997 -0.521678 7C 1dz2 -0.003101 0.002570 -0.104221 0.059578 0.102692 -0.099469 7C 1dxz 0.011891 -0.004345 -0.023186 0.016331 0.030286 -0.027537 7C 1dyz -0.034614 -0.004237 -0.201460 0.121939 0.162264 -0.164461 7C 1dx2y2 -0.023155 -0.002574 0.010280 -0.007732 -0.039719 0.034381 7C 1dxy -0.020682 -0.002970 -0.059117 0.036203 0.031572 -0.034808 7C 2dz2 0.065006 -0.281115 0.134238 -0.062448 -0.195303 0.159000 7C 2dxz 0.017013 0.482560 0.146389 -0.059312 -0.121640 0.136927 7C 2dyz 0.120219 -0.007668 0.043388 -0.039115 -0.138414 0.110833 7C 2dx2y2 -0.012578 0.031262 -0.234600 0.145565 0.251869 -0.238942 7C 2dxy 0.036380 0.364525 -0.091485 0.060722 0.091251 -0.080202 7C 1f0 0.034540 -0.050917 -0.076929 0.034639 0.073240 -0.077299 7C 1f+1 0.059253 0.062083 -0.165896 0.092702 0.160000 -0.162255 7C 1f-1 0.198654 -0.067737 0.044243 -0.027864 -0.030244 -0.009564 7C 1f+2 -0.115305 -0.032854 0.104168 -0.063984 -0.112494 0.131023 7C 1f-2 0.065624 0.136802 0.014319 -0.005257 -0.011578 -0.000622 7C 1f+3 0.024049 -0.013561 0.031392 -0.017214 -0.034218 0.027901 7C 1f-3 0.029629 -0.076845 -0.144663 0.092303 0.141939 -0.139261 8C 1s -0.005940 0.000642 -0.000773 -0.001096 0.001976 0.001930 8C 2s -0.011098 0.000578 0.001220 0.002363 0.001926 0.001611 8C 3s -0.031366 0.006948 -0.049711 -0.080161 -0.067804 -0.014681 8C 4s 0.559968 -0.003598 0.006001 -0.005190 0.602685 0.388595 8C 5s -0.903515 -0.171546 0.307485 0.539836 -0.373414 -1.162230 8C 1pz -0.025736 0.007140 0.006859 0.009718 0.009637 0.005738 8C 1px -0.013090 -0.026040 0.004998 0.005481 0.001650 -0.001111 8C 1py 0.036359 -0.002879 -0.008865 -0.017472 -0.009923 -0.002033 8C 2pz -0.100168 -0.122432 0.028206 0.064541 -0.277857 -0.221760 8C 2px -0.149879 0.225127 -0.003830 0.010530 -0.076308 -0.039067 8C 2py 0.344910 0.118938 -0.066870 -0.067868 0.328551 0.219423 8C 3pz 0.088433 0.021900 -0.022863 -0.097487 0.071897 0.179683 8C 3px 0.094482 0.008743 -0.025460 -0.051529 0.007106 0.065476 8C 3py -0.206437 -0.033374 0.096360 0.129699 -0.052036 -0.249776 8C 1dz2 -0.010142 0.011046 0.001923 -0.002161 -0.003103 -0.001344 8C 1dxz 0.021625 -0.017866 0.004255 0.010200 -0.007608 -0.012074 8C 1dyz -0.055910 -0.023978 -0.009912 -0.017869 0.008720 0.021051 8C 1dx2y2 -0.039213 -0.025875 -0.011981 -0.017252 0.011825 0.019181 8C 1dxy -0.032822 0.030968 -0.007311 -0.013221 0.005937 0.014208 8C 2dz2 -0.036198 0.049366 0.013945 0.023652 -0.026711 -0.020231 8C 2dxz 0.013319 -0.071413 -0.022324 -0.026522 0.067276 0.057933 8C 2dyz -0.132958 -0.104187 -0.028242 -0.061156 0.009248 0.034637 8C 2dx2y2 -0.026427 -0.117507 0.015686 0.023047 -0.110852 -0.091429 8C 2dxy -0.030069 0.139037 0.021356 0.040422 -0.095958 -0.088003 8C 1f0 0.005296 0.008284 -0.001423 -0.003105 0.023271 0.020078 8C 1f+1 -0.013672 -0.024215 -0.021665 -0.037561 0.039033 0.043281 8C 1f-1 0.005347 0.047378 0.000444 0.003460 -0.008726 -0.007372 8C 1f+2 0.031892 0.047236 0.023906 0.037762 -0.009379 -0.019057 8C 1f-2 0.032845 -0.066123 0.038915 0.063126 -0.042467 -0.054830 8C 1f+3 -0.025837 0.060760 -0.032242 -0.059099 0.043411 0.051885 8C 1f-3 0.021633 0.088975 0.034899 0.055865 -0.051137 -0.057385 9C 1s 0.005981 -0.001398 -0.001158 0.000745 0.002044 -0.001819 9C 2s 0.011127 -0.001622 0.002266 -0.001292 0.001943 -0.001513 9C 3s 0.031909 -0.020063 -0.080718 0.049978 -0.070640 0.010660 9C 4s -0.564366 0.096861 -0.001304 -0.012232 0.630101 -0.342604 9C 5s 0.904785 0.145314 0.534933 -0.322534 -0.435996 1.134149 9C 1pz 0.037941 -0.008201 0.017024 -0.009100 0.011110 -0.002618 9C 1px 0.004096 0.026139 0.004615 -0.002095 -0.000255 0.002882 9C 1py 0.026722 0.004917 0.010793 -0.008070 0.008689 -0.002951 9C 2pz 0.313558 0.132618 0.079781 -0.058115 -0.358616 0.216099 9C 2px 0.137935 -0.247788 -0.034425 0.010070 0.003897 -0.037394 9C 2py 0.179761 -0.012600 0.055869 -0.014551 -0.263149 0.163966 9C 3pz -0.197079 -0.028711 -0.131801 0.100531 0.081134 -0.255901 9C 3px -0.070226 -0.001186 -0.012511 0.015800 -0.032450 -0.007364 9C 3py -0.124380 -0.017620 -0.104975 0.031272 0.064452 -0.169397 9C 1dz2 -0.040669 -0.024831 0.015521 -0.008761 -0.009926 0.015461 9C 1dxz -0.017365 0.036735 0.008827 -0.005634 -0.007135 0.009672 9C 1dyz -0.061425 -0.006672 0.021427 -0.013548 -0.011548 0.023824 9C 1dx2y2 0.021019 0.001986 -0.010696 0.006301 0.011404 -0.014004 9C 1dxy -0.011900 0.027523 0.003379 0.001212 0.000468 0.002342 9C 2dz2 -0.058263 -0.118941 0.000719 -0.003699 0.058530 -0.035473 9C 2dxz 0.012415 0.154608 -0.077171 0.045241 0.138607 -0.112594 9C 2dyz -0.119036 -0.039057 0.034737 -0.018722 0.041829 -0.012961 9C 2dx2y2 0.001968 0.019578 0.021165 -0.014672 -0.062657 0.048133 9C 2dxy -0.036280 0.119975 -0.016350 0.015776 0.027678 -0.016000 9C 1f0 0.011481 0.064992 -0.030492 0.021474 0.023710 -0.024042 9C 1f+1 0.021405 -0.061058 -0.060742 0.034685 0.058095 -0.058344 9C 1f-1 0.033630 0.026316 -0.043481 0.025860 0.011952 -0.020159 9C 1f+2 -0.033973 -0.009245 0.068200 -0.042630 -0.052566 0.056708 9C 1f-2 0.017035 -0.113846 -0.021458 0.011807 0.001094 -0.009374 9C 1f+3 -0.006800 -0.016439 0.008690 -0.004627 -0.008953 0.009215 9C 1f-3 0.012588 0.036762 -0.045612 0.026483 0.050932 -0.047971 10H 1s 0.022000 -0.010206 0.058575 -0.035691 0.055826 -0.053077 10H 2s 0.076518 0.066610 0.062837 -0.038197 0.099738 -0.102994 10H 3s -0.082801 -0.027706 0.007153 -0.004161 0.001232 -0.020098 10H 1pz 0.017248 0.018767 -0.018021 0.010413 -0.021834 0.018513 10H 1px -0.020382 -0.006533 -0.052320 0.032074 -0.056568 0.055147 10H 1py 0.010593 0.014996 -0.015496 0.009484 -0.016168 0.014456 11H 1s -0.005738 0.018528 -0.008610 0.002387 -0.027453 0.021948 11H 2s -0.050862 0.050271 -0.021815 -0.002862 -0.055139 0.045962 11H 3s -0.011542 0.024718 0.021624 0.001702 0.083371 -0.105426 11H 1pz -0.000112 0.015571 0.005708 -0.008538 -0.003792 0.002686 11H 1px -0.014837 0.013864 -0.007206 0.000290 -0.023667 0.020535 11H 1py 0.008877 -0.012821 -0.000253 0.001630 0.006102 -0.003350 12H 1s 0.006238 0.026726 0.014642 -0.005066 0.003659 -0.005530 12H 2s 0.013590 0.051350 -0.009593 0.009332 -0.000190 -0.010467 12H 3s -0.042203 0.032549 0.014957 -0.018790 0.053477 -0.081431 12H 1pz 0.005077 -0.011518 -0.017034 0.009941 -0.017509 0.017105 12H 1px -0.005773 0.014119 -0.008985 0.006581 -0.018811 0.016190 12H 1py 0.012715 0.021422 0.006914 -0.001591 0.004022 -0.006679 13H 1s -0.022579 0.012657 0.032800 0.052786 0.050746 0.054851 13H 2s -0.077862 -0.050756 0.038508 0.048166 0.099303 0.110760 13H 3s 0.082198 0.023565 0.008158 0.008977 0.004779 0.022110 13H 1pz -0.023856 -0.014634 0.008695 0.010189 0.017653 0.019328 13H 1px 0.013444 -0.003207 -0.027857 -0.043752 -0.045849 -0.050833 13H 1py 0.011212 0.011459 0.015439 0.029398 0.027784 0.030192 14H 1s -0.008882 -0.023631 0.009385 0.023467 0.011745 0.014808 14H 2s -0.033723 -0.031529 -0.003924 -0.004674 0.016744 0.028256 14H 3s 0.051053 -0.037208 0.016280 0.015746 0.039542 0.075199 14H 1pz -0.017848 -0.002971 0.003564 0.007924 0.011362 0.013846 14H 1px -0.006443 -0.019471 -0.001273 0.001181 -0.005470 -0.002989 14H 1py 0.003354 -0.009617 0.015327 0.024802 0.027537 0.028720 15H 1s 0.010071 -0.011830 -0.004429 -0.011626 -0.032652 -0.030247 15H 2s 0.073032 -0.038597 0.010682 -0.018877 -0.060208 -0.063269 15H 3s 0.002836 -0.021010 -0.007125 0.018191 0.082024 0.114974 15H 1pz -0.019539 0.011637 0.000205 0.006843 0.020778 0.019498 15H 1px 0.007205 0.000958 -0.000272 -0.003082 -0.011594 -0.012609 15H 1py -0.009667 0.013591 -0.011451 -0.006151 0.009146 0.009856 16H 1s 0.006589 0.002565 -0.006971 0.015102 -0.013209 -0.016161 16H 2s -0.032386 -0.030289 0.073343 -0.099537 0.095199 -0.003589 16H 3s -0.010617 0.005031 -0.009157 0.001338 -0.046688 0.002560 16H 1pz -0.002631 -0.007983 0.003610 -0.019715 0.015517 -0.015703 16H 1px 0.011508 0.010603 0.019146 -0.011806 -0.010135 -0.001111 16H 1py -0.006766 -0.007253 0.017530 0.008361 -0.008259 -0.005765 17H 1s -0.004830 -0.001781 -0.002180 0.016047 -0.012474 0.014922 17H 2s 0.029087 0.030841 -0.013787 -0.108735 0.090724 0.005692 17H 3s 0.011161 -0.002074 -0.000675 0.005723 -0.049659 -0.007416 17H 1pz 0.004226 0.000081 0.001475 0.026411 -0.007467 -0.009580 17H 1px -0.009756 -0.011895 -0.019347 -0.001482 -0.018641 -0.009089 17H 1py 0.005671 0.007318 -0.020756 0.000671 -0.008465 0.008482 18H 1s -0.004494 0.001530 0.002462 -0.015897 -0.012500 0.014607 18H 2s 0.028107 -0.029633 0.013083 0.106762 0.089942 0.005674 18H 3s 0.010838 0.002073 0.000519 -0.005663 -0.049693 -0.007327 18H 1pz -0.003887 -0.000139 0.002097 0.026189 0.007370 0.009546 18H 1px 0.009856 -0.011674 -0.020027 -0.001437 0.018366 0.008789 18H 1py -0.005416 0.007082 -0.020929 0.001827 0.009062 -0.008229 19H 1s 0.006802 -0.002751 0.007076 -0.014840 -0.013156 -0.016204 19H 2s -0.032815 0.030706 -0.073995 0.099560 0.095780 -0.003627 19H 3s -0.010564 -0.005095 0.009128 -0.001274 -0.046824 0.002615 19H 1pz 0.002297 -0.007790 0.003480 -0.019531 -0.015665 0.015693 19H 1px -0.011473 0.010633 0.018477 -0.012422 0.010305 0.000965 19H 1py 0.006900 -0.007244 0.018039 0.007047 0.007581 0.005986 20H 1s 0.009921 0.012228 0.004289 0.011312 -0.032326 -0.029841 20H 2s 0.071820 0.039729 -0.010288 0.018858 -0.059668 -0.062217 20H 3s 0.003161 0.021791 0.006873 -0.018281 0.082007 0.114736 20H 1pz 0.019295 0.012033 0.000124 0.006608 -0.020470 -0.019060 20H 1px -0.007423 0.000665 -0.000385 -0.003291 0.012018 0.013005 20H 1py 0.009281 0.013884 -0.011287 -0.006116 -0.008960 -0.009568 21H 1s -0.008486 0.023694 -0.009040 -0.022934 0.011030 0.014031 21H 2s -0.032390 0.032603 0.004456 0.005247 0.015428 0.026702 21H 3s 0.050234 0.037476 -0.016461 -0.015816 0.040285 0.076322 21H 1pz 0.017643 -0.003402 0.003579 0.008013 -0.011331 -0.013775 21H 1px 0.005923 -0.019708 -0.001529 0.000876 0.006054 0.003651 21H 1py -0.003430 -0.009615 0.015028 0.024256 -0.026987 -0.028137 22H 1s -0.022667 -0.012575 -0.032988 -0.052959 0.051110 0.055171 22H 2s -0.077926 0.051667 -0.038811 -0.048673 0.100198 0.111246 22H 3s 0.082041 -0.023282 -0.008278 -0.008863 0.004148 0.021901 22H 1pz 0.023632 -0.014785 0.008541 0.009925 -0.017392 -0.018932 22H 1px -0.013652 -0.002939 -0.028122 -0.044210 0.046522 0.051455 22H 1py -0.011357 0.011743 0.015278 0.029217 -0.027536 -0.029966 23H 1s 0.005820 -0.026636 -0.013697 0.004461 0.002254 -0.004224 23H 2s 0.010992 -0.052742 0.010183 -0.010189 -0.002741 -0.007890 23H 3s -0.040707 -0.032768 -0.014566 0.019067 0.054796 -0.083060 23H 1pz -0.005255 -0.011420 -0.016012 0.009328 0.016328 -0.016021 23H 1px 0.006178 0.013750 -0.009195 0.006743 0.019237 -0.016643 23H 1py -0.011915 0.022132 0.006763 -0.001301 -0.003140 0.005813 24H 1s -0.005237 -0.019166 0.007953 -0.001964 -0.026489 0.021087 24H 2s -0.048113 -0.051707 0.022177 0.002144 -0.053484 0.044007 24H 3s -0.012681 -0.025523 -0.021760 -0.001318 0.082724 -0.105114 24H 1pz -0.000673 0.015712 0.005466 -0.008200 0.003448 -0.002306 24H 1px 0.014502 0.014750 -0.007325 0.000404 0.023670 -0.020439 24H 1py -0.008201 -0.012951 -0.000932 0.001969 -0.004858 0.002204 25H 1s 0.022096 0.010081 -0.058992 0.036034 0.056321 -0.053436 25H 2s 0.076850 -0.067709 -0.063617 0.038627 0.100486 -0.103726 25H 3s -0.083259 0.027550 -0.006932 0.004084 0.000782 -0.019680 25H 1pz -0.017546 0.019191 -0.017466 0.010076 0.021288 -0.017983 25H 1px 0.020446 -0.006865 -0.052517 0.032227 0.056849 -0.055368 25H 1py -0.010194 0.014791 -0.016449 0.010082 0.017412 -0.015630 26O 1s 0.006261 0.003561 -0.001591 0.001047 -0.000231 -0.000842 26O 2s 0.019713 0.011304 -0.006448 0.004181 -0.001686 -0.001231 26O 3s -0.169910 -0.111881 0.139947 -0.086967 0.080711 -0.060852 26O 4s 0.312752 0.318392 -0.556818 0.339686 -0.380369 0.375659 26O 5s -0.659858 0.291425 -0.030916 0.007433 -0.511967 0.320899 26O 1pz -0.009090 -0.020483 0.021528 -0.011813 0.041030 -0.032014 26O 1px 0.058292 0.053940 -0.060262 0.038001 -0.029030 0.013451 26O 1py 0.016697 0.007974 -0.011864 0.004541 0.014920 -0.015181 26O 2pz 0.044607 0.027414 -0.019496 0.008679 -0.058140 0.036443 26O 2px -0.062522 -0.240201 0.418505 -0.256693 0.354124 -0.318309 26O 2py 0.001296 -0.074131 0.149561 -0.085152 0.093607 -0.094074 26O 3pz -0.172676 0.272960 0.033359 0.026970 -0.172363 0.076059 26O 3px 0.167058 -0.069451 -0.123192 0.112972 -0.055957 -0.096455 26O 3py -0.043390 0.146605 -0.068807 -0.004252 -0.119847 0.009310 26O 1dz2 -0.029123 -0.017909 0.035383 -0.032798 0.009344 0.002256 26O 1dxz -0.056632 -0.005223 0.120436 -0.074955 0.109760 -0.106250 26O 1dyz 0.001113 -0.008232 0.061654 -0.030890 0.022978 -0.003178 26O 1dx2y2 0.075752 0.023930 -0.098348 0.051921 -0.068577 0.062807 26O 1dxy 0.027611 0.011734 0.020208 -0.011427 0.024966 -0.021294 26O 2dz2 0.012121 -0.016777 0.073265 -0.036768 0.057416 -0.064423 26O 2dxz -0.007928 0.008179 -0.011848 0.010104 -0.012452 0.019890 26O 2dyz -0.002343 -0.008925 0.008017 -0.007877 0.005800 -0.006986 26O 2dx2y2 -0.012415 0.009180 -0.077492 0.049867 -0.065853 0.068801 26O 2dxy -0.014929 0.010395 -0.071952 0.045191 -0.060654 0.068911 26O 1f0 -0.062006 0.051756 0.144326 -0.121081 0.148669 -0.135358 26O 1f+1 -0.059086 0.079263 -0.172959 0.079761 -0.159039 0.147823 26O 1f-1 -0.057504 0.159720 -0.026237 0.015141 -0.072750 0.074527 26O 1f+2 0.238771 -0.242116 -0.163645 0.075660 -0.068405 0.035097 26O 1f-2 -0.146389 0.167279 -0.135411 0.091319 -0.213763 0.226504 26O 1f+3 0.122007 -0.063676 -0.230212 0.126886 -0.183445 0.154197 26O 1f-3 0.118485 -0.083864 -0.090687 0.083553 -0.023542 -0.006286 27O 1s -0.006142 -0.003269 -0.001098 -0.001804 -0.000531 0.000745 27O 2s -0.019291 -0.010556 -0.004424 -0.007159 -0.002610 0.000698 27O 3s 0.164902 0.108465 0.091262 0.147240 0.086158 0.073754 27O 4s -0.299354 -0.320874 -0.351127 -0.573654 -0.370858 -0.422755 27O 5s 0.652893 -0.313425 -0.040882 -0.075469 -0.409019 -0.365405 27O 1pz 0.011923 0.017063 0.014717 0.020366 0.027121 0.023418 27O 1px -0.059093 -0.052114 -0.037541 -0.062673 -0.021928 -0.012228 27O 1py -0.002219 -0.011226 -0.005512 -0.015616 -0.032915 -0.028455 27O 2pz -0.033287 -0.039768 -0.042419 -0.063702 -0.072593 -0.064706 27O 2px 0.054785 0.256050 0.274672 0.447458 0.329012 0.367109 27O 2py 0.038950 -0.009253 -0.028811 -0.025046 0.008508 -0.017632 27O 3pz 0.129455 -0.177950 0.057719 -0.012918 -0.060555 -0.063575 27O 3px -0.142057 0.040196 -0.075025 -0.106849 -0.076294 0.093749 27O 3py -0.146390 0.248748 0.032064 -0.021719 0.124197 0.068787 27O 1dz2 0.040961 0.007965 0.002616 0.018001 0.012180 0.011818 27O 1dxz 0.052041 0.005505 0.058162 0.105142 0.080085 0.083640 27O 1dyz 0.023329 -0.007852 -0.001965 -0.013445 0.015709 0.037244 27O 1dx2y2 -0.066842 -0.026119 -0.054285 -0.074713 -0.041103 -0.034725 27O 1dxy -0.032548 -0.001442 -0.064426 -0.114925 -0.085898 -0.090267 27O 2dz2 -0.013500 0.010232 0.042262 0.055218 0.046465 0.061704 27O 2dxz 0.000668 -0.000978 0.009937 0.015575 0.009553 0.009102 27O 2dyz 0.002718 -0.013498 -0.011619 -0.013861 -0.010527 -0.017602 27O 2dx2y2 0.017899 -0.024115 -0.064295 -0.111777 -0.083483 -0.107962 27O 2dxy -0.015558 0.009350 0.023675 0.032709 0.032578 0.046797 27O 1f0 0.062209 0.018777 0.081581 0.153337 0.145135 0.149317 27O 1f+1 -0.104462 0.081837 -0.082236 -0.077608 -0.033471 -0.011017 27O 1f-1 0.037005 -0.023223 -0.003561 -0.057672 -0.054120 -0.064809 27O 1f+2 -0.152249 0.190175 -0.101971 -0.187200 -0.105748 -0.089051 27O 1f-2 -0.279075 0.286767 0.014239 0.011233 0.100060 0.154329 27O 1f+3 -0.005633 -0.066116 -0.141869 -0.249709 -0.225294 -0.226111 27O 1f-3 -0.058936 0.058257 -0.114138 -0.146391 -0.146442 -0.166171 28O 1s 0.006148 -0.003713 -0.001608 0.000823 -0.000441 -0.000794 28O 2s 0.019304 -0.011940 -0.006627 0.003415 -0.002463 -0.000833 28O 3s -0.165283 0.121574 0.144408 -0.077681 0.090236 -0.069632 28O 4s 0.303974 -0.352779 -0.563761 0.306750 -0.384804 0.392861 28O 5s -0.655395 -0.249875 -0.116026 0.043699 -0.414180 0.323020 28O 1pz 0.025478 -0.017234 -0.018422 0.011978 0.016112 -0.013062 28O 1px -0.052999 0.057737 0.061492 -0.034966 0.037075 -0.022464 28O 1py -0.005063 0.011296 0.010863 -0.010090 0.024221 -0.016549 28O 2pz 0.004415 0.132750 0.245031 -0.137924 0.162897 -0.188817 28O 2px 0.067912 -0.236833 -0.383334 0.213176 -0.309730 0.293341 28O 2py 0.030319 -0.006737 0.005399 0.007551 -0.019156 -0.003793 28O 3pz -0.049228 -0.214434 -0.016847 0.055223 -0.127178 0.013560 28O 3px -0.200887 -0.139198 0.095221 -0.046676 0.003626 0.122556 28O 3py -0.106998 -0.177802 -0.017730 -0.050847 -0.090705 0.054998 28O 1dz2 -0.037638 0.011252 0.093951 -0.066998 0.075928 -0.066641 28O 1dxz -0.039228 0.024611 0.012764 -0.009932 -0.003269 0.010982 28O 1dyz 0.002563 0.012547 0.065686 -0.034614 0.027140 -0.010785 28O 1dx2y2 0.075290 -0.021404 -0.103496 0.053067 -0.078099 0.073164 28O 1dxy 0.042056 0.000964 -0.062976 0.038342 -0.063971 0.067723 28O 2dz2 -0.006018 0.000975 0.000017 0.004944 -0.007613 0.011961 28O 2dxz 0.022494 0.023952 0.114587 -0.059926 0.094275 -0.111202 28O 2dyz -0.005221 0.007312 0.000213 -0.004259 -0.004236 0.004617 28O 2dx2y2 -0.009092 -0.009816 -0.068289 0.043314 -0.054486 0.060154 28O 2dxy 0.008032 0.012865 0.016130 -0.008797 0.016566 -0.024398 28O 1f0 -0.001380 -0.033477 -0.177099 0.072684 -0.155854 0.144904 28O 1f+1 -0.069783 -0.061702 0.126805 -0.100598 0.132033 -0.126284 28O 1f-1 -0.217223 -0.297481 -0.039088 0.018176 -0.138862 0.170136 28O 1f+2 -0.041219 0.032677 0.181052 -0.125301 0.172024 -0.143069 28O 1f-2 0.047564 0.016975 0.121647 -0.067196 0.122199 -0.126197 28O 1f+3 -0.150561 -0.122869 0.205934 -0.136112 0.154028 -0.116361 28O 1f-3 -0.203988 -0.157846 0.118465 -0.044482 0.051798 -0.022365 29O 1s -0.000046 -0.000015 0.000450 -0.000906 0.003446 0.000122 29O 2s -0.000157 -0.000050 0.001354 -0.002677 0.010575 0.000380 29O 3s 0.001739 0.000564 -0.012424 0.022501 -0.104521 -0.004022 29O 4s -0.004062 -0.001362 0.034787 -0.061941 0.266901 0.009647 29O 5s 0.004449 0.001467 -0.095430 0.219978 -0.475587 -0.010799 29O 1pz -0.001546 0.002268 0.002739 0.001502 -0.007463 0.007213 29O 1px -0.000473 0.000964 0.001755 -0.002621 0.017511 0.003405 29O 1py -0.000208 0.000168 -0.000603 -0.003064 -0.005507 -0.000249 29O 2pz -0.004670 -0.019870 -0.003470 -0.010111 0.027901 -0.034599 29O 2px -0.001893 -0.007657 -0.008751 0.020580 -0.067209 -0.014981 29O 2py 0.001388 0.000793 0.004478 0.000799 0.023065 0.002044 29O 3pz -0.033141 -0.013978 0.097171 -0.000251 -0.055407 0.011390 29O 3px -0.013337 -0.008220 0.054078 0.002910 0.185221 0.011564 29O 3py 0.002859 0.006018 0.019930 -0.135792 0.064314 -0.000855 29O 1dz2 -0.003875 -0.003676 0.007798 -0.009619 0.002379 0.008023 29O 1dxz 0.002372 0.004213 -0.011229 -0.002781 -0.000213 0.000007 29O 1dyz -0.003401 0.002055 -0.011287 -0.010971 0.002980 0.024175 29O 1dx2y2 0.000566 0.001503 -0.004860 -0.005992 -0.011188 0.001538 29O 1dxy -0.002433 0.000213 -0.007444 0.028246 -0.008962 0.012022 29O 2dz2 0.002658 0.004937 -0.007411 0.000994 -0.004215 0.004966 29O 2dxz -0.001111 -0.003610 0.009237 0.000828 -0.004370 -0.007549 29O 2dyz 0.005647 0.008355 0.001117 0.005952 -0.002687 0.004537 29O 2dx2y2 0.000028 -0.000771 0.004359 -0.000323 0.009845 -0.002722 29O 2dxy 0.002830 0.003896 0.002234 -0.013511 0.007378 0.001317 29O 1f0 -0.016155 -0.009505 0.015865 0.005061 -0.018632 0.002400 29O 1f+1 -0.019686 -0.019438 -0.029162 -0.003381 0.018097 -0.002646 29O 1f-1 0.007501 0.007400 -0.000224 0.013424 0.013141 -0.005789 29O 1f+2 -0.002055 0.001916 0.051313 0.016428 0.019142 0.006470 29O 1f-2 -0.002637 -0.006500 -0.021602 0.019612 0.013874 0.007222 29O 1f+3 -0.002992 -0.004051 -0.029285 0.015155 -0.001182 -0.001955 29O 1f-3 0.000360 0.004509 0.015103 0.022502 0.016822 -0.000162 30O 1s -0.006193 0.003836 -0.000976 -0.001611 -0.000425 0.000659 30O 2s -0.019424 0.012319 -0.003926 -0.006613 -0.002374 0.000368 30O 3s 0.165674 -0.124878 0.084165 0.143705 0.086926 0.078201 30O 4s -0.303070 0.356801 -0.330470 -0.557970 -0.377651 -0.426307 30O 5s 0.674576 0.255215 -0.028915 -0.045835 -0.504495 -0.353858 30O 1pz -0.023144 0.016755 -0.008659 -0.020653 0.005894 0.007641 30O 1px 0.050900 -0.059504 0.036194 0.059021 0.043348 0.030644 30O 1py 0.017506 -0.008890 0.007725 0.011645 -0.017660 -0.018188 30O 2pz 0.005953 -0.108659 0.107618 0.201499 0.140515 0.157677 30O 2px -0.066821 0.230584 -0.209619 -0.349676 -0.307348 -0.304821 30O 2py 0.017210 0.097733 -0.111412 -0.189856 -0.125548 -0.150088 30O 3pz 0.009111 0.108478 0.029042 -0.072930 -0.111352 0.000786 30O 3px 0.228364 0.181162 0.063371 0.115294 -0.047515 -0.133385 30O 3py -0.072709 -0.212024 0.040833 0.006329 0.155104 0.036220 30O 1dz2 0.042248 -0.006850 0.023646 0.051765 0.042355 0.056792 30O 1dxz 0.046766 -0.021168 0.020918 0.045604 0.018084 0.016178 30O 1dyz 0.014999 0.000107 -0.031697 -0.057236 -0.027494 -0.016708 30O 1dx2y2 -0.077860 0.023419 -0.089809 -0.138926 -0.107164 -0.109940 30O 1dxy -0.012469 0.021487 -0.003516 -0.008134 0.018867 0.032743 30O 2dz2 -0.004256 0.000858 0.015223 0.014862 0.016211 0.015510 30O 2dxz -0.013913 -0.015690 0.050055 0.080929 0.066003 0.081101 30O 2dyz -0.012253 -0.000721 0.018754 0.043360 0.035914 0.046038 30O 2dx2y2 0.001809 0.004898 -0.019569 -0.036797 -0.025730 -0.025642 30O 2dxy 0.018957 0.023946 -0.050508 -0.090242 -0.072173 -0.093691 30O 1f0 -0.191984 -0.205332 -0.075057 -0.114632 -0.012616 0.025706 30O 1f+1 0.145323 0.100049 0.038889 0.116056 0.057111 0.043919 30O 1f-1 -0.082025 -0.082217 0.049144 0.032647 0.081826 0.099210 30O 1f+2 -0.027855 -0.121868 0.142835 0.215875 0.240514 0.264941 30O 1f-2 0.068965 -0.003329 0.025016 0.034988 0.003543 -0.017770 30O 1f+3 0.201720 0.184528 0.136233 0.218146 0.138725 0.121418 30O 1f-3 -0.077918 -0.099555 0.085682 0.191293 0.172886 0.193750 31O 1s -0.006193 -0.003849 0.000976 0.001605 -0.000416 0.000652 31O 2s -0.019422 -0.012359 0.003928 0.006592 -0.002345 0.000345 31O 3s 0.165648 0.125177 -0.084189 -0.143425 0.086514 0.078434 31O 4s -0.302982 -0.357199 0.330461 0.557008 -0.376136 -0.426830 31O 5s 0.673822 -0.252005 0.030044 0.044571 -0.504673 -0.351466 31O 1pz 0.023165 0.016849 -0.008655 -0.020763 -0.005810 -0.007604 31O 1px -0.050937 -0.059556 0.036164 0.059072 -0.043418 -0.030618 31O 1py -0.017487 -0.008938 0.007726 0.011727 0.017655 0.018219 31O 2pz -0.006059 -0.108637 0.107684 0.201748 -0.140614 -0.157770 31O 2px 0.066942 0.230399 -0.209603 -0.349524 0.307153 0.304631 31O 2py -0.017150 0.097570 -0.111467 -0.189965 0.125361 0.149872 31O 3pz -0.008467 0.109128 0.029044 -0.074224 0.112394 -0.000509 31O 3px -0.228307 0.180336 0.062968 0.116295 0.047138 0.132863 31O 3py 0.072168 -0.212558 0.040934 0.007980 -0.156673 -0.036367 31O 1dz2 0.042162 0.006909 -0.023576 -0.051656 0.042290 0.056844 31O 1dxz 0.046788 0.021370 -0.020989 -0.045604 0.018089 0.016250 31O 1dyz 0.014943 -0.000061 0.031694 0.057166 -0.027476 -0.016685 31O 1dx2y2 -0.077833 -0.023572 0.089676 0.138847 -0.107144 -0.109991 31O 1dxy -0.012529 -0.021556 0.003487 0.008102 0.018944 0.032843 31O 2dz2 -0.004268 -0.000884 -0.015185 -0.014790 0.016150 0.015427 31O 2dxz -0.013919 0.015576 -0.050098 -0.080892 0.065946 0.081110 31O 2dyz -0.012230 0.000644 -0.018810 -0.043312 0.035842 0.046040 31O 2dx2y2 0.001859 -0.004867 0.019600 0.036765 -0.025733 -0.025631 31O 2dxy 0.018921 -0.023855 0.050509 0.090143 -0.072010 -0.093636 31O 1f0 0.191725 -0.205274 -0.075064 -0.114728 0.012776 -0.025756 31O 1f+1 -0.144899 0.099811 0.038710 0.115743 -0.056919 -0.043850 31O 1f-1 0.081797 -0.081923 0.049086 0.032587 -0.081765 -0.099035 31O 1f+2 0.027512 -0.121813 0.142812 0.216075 -0.240803 -0.265108 31O 1f-2 -0.068877 -0.003501 0.024978 0.035100 -0.003676 0.017697 31O 1f+3 -0.201259 0.184369 0.136186 0.218036 -0.138838 -0.121487 31O 1f-3 0.077782 -0.099661 0.085448 0.191186 -0.172963 -0.193689 32O 1s -0.000061 0.000024 -0.000462 0.000898 0.003449 0.000128 32O 2s -0.000204 0.000079 -0.001388 0.002653 0.010584 0.000402 32O 3s 0.002207 -0.000821 0.012627 -0.022328 -0.104623 -0.004309 32O 4s -0.005126 0.001975 -0.035007 0.061536 0.267209 0.010249 32O 5s 0.006273 -0.003238 0.096895 -0.218127 -0.475999 -0.010807 32O 1pz 0.001517 0.002242 0.002743 0.001533 0.007372 -0.007181 32O 1px 0.000435 0.000981 0.001667 -0.002661 -0.017542 -0.003342 32O 1py 0.000358 0.000211 -0.000609 -0.003093 0.005481 -0.000014 32O 2pz 0.004738 -0.019720 -0.003517 -0.009891 -0.027602 0.034462 32O 2px 0.001908 -0.007468 -0.008756 0.020583 0.067295 0.014605 32O 2py -0.001571 0.000229 0.004915 0.001021 -0.022990 -0.000783 32O 3pz 0.032857 -0.013848 0.096953 -0.000048 0.055440 -0.011315 32O 3px 0.012916 -0.008225 0.054239 0.003177 -0.185487 -0.011202 32O 3py -0.001362 0.005021 0.021411 -0.135086 -0.064390 0.000460 32O 1dz2 -0.004021 0.003912 -0.007868 0.009328 0.002329 0.007726 32O 1dxz 0.002332 -0.004089 0.011217 0.002969 -0.000221 -0.000149 32O 1dyz -0.003457 -0.002012 0.011454 0.011195 0.002630 0.024235 32O 1dx2y2 0.000414 -0.001297 0.004396 0.006192 -0.011265 0.001318 32O 1dxy -0.002295 -0.000357 0.007053 -0.028213 -0.009006 0.011793 32O 2dz2 0.002546 -0.004626 0.007559 -0.000894 -0.004280 0.004460 32O 2dxz -0.001186 0.003698 -0.009155 -0.000744 -0.004301 -0.007693 32O 2dyz 0.005683 -0.008394 -0.001129 -0.005879 -0.002742 0.004637 32O 2dx2y2 -0.000012 0.000952 -0.004327 0.000252 0.009851 -0.003019 32O 2dxy 0.002784 -0.003708 -0.002366 0.013476 0.007314 0.000998 32O 1f0 0.017057 -0.009800 0.015254 0.003417 0.018693 -0.003035 32O 1f+1 0.018812 -0.018916 -0.028062 -0.003114 -0.018060 0.003193 32O 1f-1 -0.006717 0.006711 0.002363 0.014212 -0.012911 0.005725 32O 1f+2 0.001971 0.002043 0.052986 0.014781 -0.019113 -0.006433 32O 1f-2 0.003205 -0.007018 -0.020729 0.019719 -0.014715 -0.007169 32O 1f+3 0.003924 -0.004246 -0.029930 0.015617 0.001132 0.000966 32O 1f-3 -0.000372 0.004211 0.013902 0.022315 -0.016511 0.000330 33O 1s 0.006139 0.003717 0.001607 -0.000825 -0.000435 -0.000796 33O 2s 0.019274 0.011951 0.006620 -0.003420 -0.002446 -0.000839 33O 3s -0.164984 -0.121595 -0.144263 0.077709 0.090087 -0.069655 33O 4s 0.303188 0.352480 0.563118 -0.306979 -0.384486 0.393132 33O 5s -0.656441 0.247074 0.115729 -0.041282 -0.413065 0.323147 33O 1pz -0.025384 -0.017233 -0.018321 0.011882 -0.016128 0.013005 33O 1px 0.052841 0.057747 0.061383 -0.034872 -0.037074 0.022430 33O 1py 0.005019 0.011192 0.010795 -0.010086 -0.024198 0.016537 33O 2pz -0.004772 0.132343 0.244213 -0.137309 -0.162578 0.188913 33O 2px -0.067210 -0.236433 -0.382931 0.212851 0.309851 -0.293590 33O 2py -0.030369 -0.006455 0.005907 0.007456 0.018726 0.004190 33O 3pz 0.049702 -0.215410 -0.015977 0.054377 0.127705 -0.014013 33O 3px 0.201030 -0.138402 0.094982 -0.046776 -0.004382 -0.122638 33O 3py 0.107478 -0.178555 -0.017275 -0.052085 0.091018 -0.055154 33O 1dz2 -0.037705 -0.011206 -0.093853 0.066926 0.075788 -0.066389 33O 1dxz -0.039091 -0.024563 -0.012633 0.009759 -0.003373 0.011056 33O 1dyz 0.002659 -0.012753 -0.065562 0.034762 0.027312 -0.011020 33O 1dx2y2 0.075170 0.021693 0.103392 -0.053066 -0.078193 0.073248 33O 1dxy 0.042124 -0.001065 0.062812 -0.038292 -0.063972 0.067829 33O 2dz2 -0.005984 -0.000931 -0.000247 -0.004803 -0.007444 0.011838 33O 2dxz 0.022559 -0.023769 -0.114354 0.059785 0.094171 -0.111236 33O 2dyz -0.005220 -0.007347 -0.000023 0.004176 -0.004396 0.004790 33O 2dx2y2 -0.009138 0.009718 0.068322 -0.043329 -0.054552 0.060256 33O 2dxy 0.008134 -0.012862 -0.016348 0.008880 0.016742 -0.024591 33O 1f0 0.000753 -0.032760 -0.176375 0.072320 0.155209 -0.144084 33O 1f+1 0.070367 -0.061680 0.127238 -0.100976 -0.132316 0.126306 33O 1f-1 0.218336 -0.297870 -0.038865 0.017857 0.138890 -0.170244 33O 1f+2 0.040815 0.033408 0.180807 -0.125016 -0.172259 0.143344 33O 1f-2 -0.048109 0.017487 0.121157 -0.067040 -0.122397 0.126528 33O 1f+3 0.150637 -0.122761 0.206111 -0.136276 -0.154588 0.116734 33O 1f-3 0.204669 -0.158299 0.118007 -0.044432 -0.051647 0.022285 34O 1s -0.006132 0.003258 0.001095 0.001808 -0.000520 0.000740 34O 2s -0.019260 0.010524 0.004412 0.007168 -0.002573 0.000686 34O 3s 0.164709 -0.108244 -0.091063 -0.147278 0.085701 0.073818 34O 4s -0.299162 0.320783 0.350458 0.573775 -0.369500 -0.423030 34O 5s 0.651506 0.315806 0.040609 0.072546 -0.409762 -0.362140 34O 1pz -0.011902 0.017007 0.014730 0.020380 -0.027166 -0.023424 34O 1px 0.059031 -0.052067 -0.037510 -0.062507 0.021988 0.012116 34O 1py 0.002166 -0.011183 -0.005496 -0.015676 0.032959 0.028564 34O 2pz 0.033225 -0.039625 -0.042533 -0.063892 0.072774 0.064867 34O 2px -0.055000 0.256366 0.274280 0.446631 -0.328948 -0.366427 34O 2py -0.038753 -0.009585 -0.028828 -0.024689 -0.008645 0.017194 34O 3pz -0.129381 -0.178715 0.058049 -0.012241 0.060688 0.063146 34O 3px 0.141518 0.040883 -0.075226 -0.106376 0.077456 -0.093059 34O 3py 0.146503 0.249326 0.032509 -0.023084 -0.124934 -0.068109 34O 1dz2 0.040859 -0.007924 -0.002624 -0.017868 0.012117 0.011748 34O 1dxz 0.052025 -0.005464 -0.058204 -0.105067 0.080071 0.083666 34O 1dyz 0.023313 0.007919 0.001924 0.013460 0.015766 0.037225 34O 1dx2y2 -0.066744 0.026077 0.054207 0.074780 -0.041164 -0.034708 34O 1dxy -0.032488 0.001489 0.064377 0.114975 -0.085978 -0.090340 34O 2dz2 -0.013401 -0.010293 -0.042184 -0.055144 0.046402 0.061577 34O 2dxz 0.000708 0.000977 -0.009969 -0.015669 0.009601 0.009121 34O 2dyz 0.002741 0.013543 0.011627 0.013882 -0.010548 -0.017622 34O 2dx2y2 0.017745 0.024219 0.064189 0.111678 -0.083411 -0.107813 34O 2dxy -0.015519 -0.009440 -0.023643 -0.032597 0.032493 0.046700 34O 1f0 -0.062160 0.018627 0.081552 0.153191 -0.145115 -0.149285 34O 1f+1 0.104446 0.082023 -0.082019 -0.077467 0.033436 0.010754 34O 1f-1 -0.037182 -0.023595 -0.003547 -0.057729 0.054240 0.065007 34O 1f+2 0.152679 0.190772 -0.101954 -0.187347 0.105862 0.089007 34O 1f-2 0.279300 0.287412 0.014212 0.011015 -0.100014 -0.154307 34O 1f+3 0.005412 -0.066391 -0.141849 -0.249609 0.225549 0.226240 34O 1f-3 0.058909 0.058335 -0.113936 -0.146450 0.146576 0.166299 35O 1s 0.006275 -0.003563 0.001585 -0.001047 -0.000226 -0.000844 35O 2s 0.019759 -0.011304 0.006426 -0.004177 -0.001666 -0.001239 35O 3s -0.170354 0.111779 -0.139645 0.086877 0.080422 -0.060766 35O 4s 0.313897 -0.317870 0.556030 -0.339571 -0.379566 0.375514 35O 5s -0.658497 -0.290668 0.030769 -0.004297 -0.509328 0.320184 35O 1pz 0.009135 -0.020402 0.021464 -0.011776 -0.041069 0.032045 35O 1px -0.058503 0.053957 -0.060274 0.038062 0.029120 -0.013460 35O 1py -0.016675 0.007986 -0.011882 0.004524 -0.014998 0.015272 35O 2pz -0.044557 0.027173 -0.019497 0.008729 0.058534 -0.036773 35O 2px 0.063424 -0.239860 0.418239 -0.256490 -0.353835 0.318176 35O 2py -0.001272 -0.074035 0.149737 -0.085105 -0.093420 0.093902 35O 3pz 0.171847 0.273592 0.032271 0.026983 0.172451 -0.075624 35O 3px -0.167135 -0.068881 -0.124219 0.114423 0.057635 0.096036 35O 3py 0.043445 0.147277 -0.069494 -0.003617 0.120768 -0.009001 35O 1dz2 -0.029395 0.017783 -0.035397 0.032793 0.009245 0.002396 35O 1dxz -0.056656 0.005185 -0.120306 0.075055 0.109817 -0.106159 35O 1dyz 0.001127 0.008415 -0.061631 0.030926 0.023078 -0.003309 35O 1dx2y2 0.075853 -0.024079 0.098239 -0.051912 -0.068705 0.063050 35O 1dxy 0.027627 -0.011856 -0.020271 0.011508 0.025153 -0.021492 35O 2dz2 0.012086 0.016681 -0.073191 0.036692 0.057337 -0.064450 35O 2dxz -0.007817 -0.008220 0.011712 -0.010014 -0.012274 0.019740 35O 2dyz -0.002333 0.009008 -0.008124 0.007953 0.005933 -0.007079 35O 2dx2y2 -0.012362 -0.009137 0.077307 -0.049696 -0.065697 0.068747 35O 2dxy -0.014917 -0.010295 0.072017 -0.045171 -0.060613 0.068961 35O 1f0 0.061757 0.051439 0.144247 -0.121180 -0.148923 0.135587 35O 1f+1 0.058121 0.078765 -0.172853 0.079600 0.158897 -0.147485 35O 1f-1 0.056722 0.159684 -0.026224 0.015075 0.072595 -0.074256 35O 1f+2 -0.238573 -0.243009 -0.163244 0.075447 0.067908 -0.034571 35O 1f-2 0.146313 0.167430 -0.135475 0.091359 0.214099 -0.226655 35O 1f+3 -0.121560 -0.063514 -0.229911 0.126834 0.184014 -0.154815 35O 1f-3 -0.117871 -0.083350 -0.090858 0.083815 0.023908 0.006058 660 661 662 663 664 665 5.92833 5.97849 5.98212 5.99139 5.99223 5.99397 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s 0.000683 0.000130 0.000085 -0.000029 -0.000023 -0.000125 0Rh 2s -0.001857 -0.001093 -0.000792 0.000304 0.000121 0.001009 0Rh 3s 0.003021 0.000141 0.000050 0.000002 -0.000068 -0.000163 0Rh 4s 0.012412 0.006807 0.004932 -0.001894 -0.000786 -0.006315 0Rh 5s -0.015477 -0.018839 -0.014165 0.005648 0.001943 0.017202 0Rh 6s -0.080326 0.024795 0.021313 -0.009445 -0.001268 -0.019836 0Rh 7s 1.719180 -0.059857 -0.089933 0.070887 -0.000230 0.009948 0Rh 8s -0.524969 0.003939 -0.001553 -0.014492 0.008377 -0.038781 0Rh 1pz 0.047660 -0.075794 -0.027463 0.004721 0.031266 -0.018380 0Rh 1px -0.153753 -0.028315 0.011927 -0.003366 0.010017 -0.017166 0Rh 1py -0.030972 0.023256 -0.088025 0.003500 -0.021356 -0.035313 0Rh 2pz -0.198737 0.316030 0.114549 -0.019707 -0.130559 0.076790 0Rh 2px 0.641108 0.118051 -0.049775 0.014067 -0.041867 0.071606 0Rh 2py 0.129133 -0.096988 0.367050 -0.014593 0.089196 0.147471 0Rh 3pz 0.651273 -1.030480 -0.374358 0.064740 0.429660 -0.253537 0Rh 3px -2.100069 -0.384718 0.163406 -0.046629 0.138598 -0.233841 0Rh 3py -0.422655 0.316674 -1.197059 0.047513 -0.293956 -0.485473 0Rh 4pz -0.877321 1.349073 0.493182 -0.086600 -0.575494 0.342462 0Rh 4px 2.824442 0.502834 -0.218531 0.064333 -0.188624 0.306152 0Rh 4py 0.566797 -0.416072 1.567382 -0.061462 0.395003 0.650613 0Rh 5pz 0.592826 -0.759225 -0.285686 0.053973 0.355377 -0.219391 0Rh 5px -1.889337 -0.281090 0.137085 -0.046626 0.125549 -0.167811 0Rh 5py -0.370796 0.237449 -0.881906 0.031540 -0.246503 -0.402151 0Rh 6pz -0.714159 0.222983 0.094982 -0.034870 -0.453727 0.349757 0Rh 6px 2.039508 0.071715 -0.108820 0.060719 -0.262485 0.050159 0Rh 6py 0.219379 -0.053583 0.216302 -0.016918 0.321796 0.513107 0Rh 1dz2 -0.001966 -0.002544 -0.001149 0.000022 -0.000329 -0.000296 0Rh 1dxz -0.002479 0.003932 0.001850 -0.000041 0.000604 -0.000521 0Rh 1dyz -0.000717 0.000162 -0.001208 0.000156 0.000978 -0.001240 0Rh 1dx2y2 0.004283 0.001618 -0.001721 -0.000230 0.000709 -0.000256 0Rh 1dxy 0.002016 -0.001793 0.004283 0.000025 -0.000298 -0.001393 0Rh 2dz2 -0.000744 0.000826 0.000478 -0.000147 0.000301 0.000218 0Rh 2dxz -0.001041 -0.001203 -0.000551 -0.000103 -0.000451 0.000711 0Rh 2dyz -0.000067 -0.000170 0.000649 -0.000090 -0.000344 0.000385 0Rh 2dx2y2 0.001320 -0.000689 0.000407 0.000136 -0.000569 -0.000421 0Rh 2dxy 0.000419 0.000451 -0.001304 -0.000018 0.000289 0.000662 0Rh 3dz2 0.013920 0.009172 0.003639 0.000614 0.000280 0.000399 0Rh 3dxz 0.018045 -0.014513 -0.006920 0.000714 -0.001088 -0.000741 0Rh 3dyz 0.004069 0.000077 0.003091 -0.000358 -0.003516 0.004623 0Rh 3dx2y2 -0.028845 -0.005008 0.006945 0.000518 -0.000967 0.003534 0Rh 3dxy -0.012572 0.007144 -0.015830 -0.000067 0.000233 0.004281 0Rh 4dz2 -0.036254 -0.017975 -0.006370 -0.002132 0.000467 0.000811 0Rh 4dxz -0.047158 0.028586 0.013722 -0.002127 0.001982 0.004660 0Rh 4dyz -0.009884 -0.001558 -0.004168 0.000238 0.007764 -0.009540 0Rh 4dx2y2 0.074145 0.008606 -0.014260 -0.000447 0.000249 -0.011452 0Rh 4dxy 0.031471 -0.014966 0.031303 0.000184 -0.000105 -0.009420 0Rh 5dz2 0.052370 0.023876 0.001798 0.005687 -0.002823 -0.010851 0Rh 5dxz 0.069167 -0.041906 -0.017276 0.004214 -0.010156 -0.013414 0Rh 5dyz 0.012117 0.006388 -0.009444 0.002635 -0.018688 0.013843 0Rh 5dx2y2 -0.107068 -0.005258 0.018710 -0.000659 0.003753 0.032454 0Rh 5dxy -0.042564 0.023565 -0.048366 0.001499 0.003595 0.025163 0Rh 1f0 0.013812 0.006639 -0.011516 0.000742 -0.013055 -0.005807 0Rh 1f+1 -0.011956 -0.005996 -0.003373 -0.000289 -0.006020 0.005016 0Rh 1f-1 -0.004695 -0.009254 -0.019808 0.001507 0.002953 -0.013929 0Rh 1f+2 -0.018948 0.019322 0.001651 -0.001370 -0.008969 0.002409 0Rh 1f-2 -0.008536 0.005457 -0.014820 0.000551 -0.000727 -0.005492 0Rh 1f+3 -0.022360 -0.011467 0.007450 -0.000903 0.003976 0.002372 0Rh 1f-3 -0.013325 0.003805 -0.007716 -0.000405 0.002131 0.009160 1Rh 1s 0.000680 0.000124 0.000083 -0.000040 0.000025 0.000123 1Rh 2s -0.001836 -0.001044 -0.000776 0.000395 -0.000113 -0.000990 1Rh 3s 0.003019 0.000133 0.000048 -0.000012 0.000083 0.000158 1Rh 4s 0.012286 0.006504 0.004833 -0.002463 0.000742 0.006201 1Rh 5s -0.015139 -0.018020 -0.013892 0.007199 -0.001756 -0.016906 1Rh 6s -0.080712 0.023822 0.020973 -0.011264 0.000661 0.019573 1Rh 7s 1.719066 -0.058475 -0.089365 0.072290 0.006794 -0.009984 1Rh 8s -0.525532 0.007058 -0.001380 -0.016852 -0.009490 0.038554 1Rh 1pz -0.047926 0.075808 0.027643 -0.003587 0.031082 -0.017944 1Rh 1px 0.154053 0.028503 -0.011841 0.004599 0.010517 -0.017172 1Rh 1py 0.031001 -0.023167 0.088276 -0.001106 -0.021407 -0.035014 1Rh 2pz 0.199845 -0.316092 -0.115302 0.014969 -0.129791 0.074972 1Rh 2px -0.642355 -0.118838 0.049418 -0.019206 -0.043956 0.071631 1Rh 2py -0.129253 0.096619 -0.368098 0.004598 0.089410 0.146222 1Rh 3pz -0.654887 1.030708 0.376848 -0.049129 0.427125 -0.247623 1Rh 3px 2.104137 0.387273 -0.162241 0.063402 0.145510 -0.233949 1Rh 3py 0.423062 -0.315477 1.200506 -0.014648 -0.294643 -0.481410 1Rh 4pz 0.882063 -1.349437 -0.496534 0.065608 -0.572043 0.334756 1Rh 4px -2.829745 -0.506137 0.217001 -0.086272 -0.198083 0.306398 1Rh 4py -0.567377 0.414521 -1.571968 0.017528 0.395852 0.645302 1Rh 5pz -0.595466 0.759547 0.287756 -0.040677 0.353023 -0.215098 1Rh 5px 1.892191 0.282819 -0.136196 0.058628 0.132065 -0.168266 1Rh 5py 0.371300 -0.236644 0.884618 -0.004583 -0.246781 -0.399134 1Rh 6pz 0.713389 -0.224435 -0.098856 0.014203 -0.450929 0.349758 1Rh 6px -2.041432 -0.070783 0.107336 -0.063782 -0.268433 0.052685 1Rh 6py -0.222228 0.053893 -0.219176 -0.017078 0.318847 0.511945 1Rh 1dz2 -0.001955 -0.002499 -0.001153 0.000005 0.000354 0.000307 1Rh 1dxz -0.002512 0.003963 0.001851 -0.000059 -0.000612 0.000518 1Rh 1dyz -0.000668 0.000184 -0.001233 0.000092 -0.000942 0.001278 1Rh 1dx2y2 0.004304 0.001634 -0.001715 -0.000246 -0.000699 0.000213 1Rh 1dxy 0.002010 -0.001779 0.004287 -0.000064 0.000281 0.001418 1Rh 2dz2 -0.000740 0.000808 0.000470 -0.000131 -0.000322 -0.000227 1Rh 2dxz -0.001028 -0.001213 -0.000552 -0.000062 0.000442 -0.000715 1Rh 2dyz -0.000077 -0.000176 0.000647 -0.000067 0.000314 -0.000400 1Rh 2dx2y2 0.001306 -0.000697 0.000399 0.000106 0.000580 0.000431 1Rh 2dxy 0.000416 0.000445 -0.001308 0.000023 -0.000286 -0.000672 1Rh 3dz2 0.013843 0.009019 0.003700 0.000616 -0.000304 -0.000409 1Rh 3dxz 0.018157 -0.014629 -0.006918 0.000604 0.001178 0.000773 1Rh 3dyz 0.003866 -0.000013 0.003231 -0.000130 0.003474 -0.004747 1Rh 3dx2y2 -0.028889 -0.005051 0.006953 0.000755 0.000862 -0.003359 1Rh 3dxy -0.012526 0.007105 -0.015828 0.000217 -0.000158 -0.004360 1Rh 4dz2 -0.036052 -0.017662 -0.006542 -0.002006 -0.000515 -0.000826 1Rh 4dxz -0.047340 0.028839 0.013711 -0.001682 -0.002238 -0.004754 1Rh 4dyz -0.009434 -0.001357 -0.004529 -0.000210 -0.007809 0.009757 1Rh 4dx2y2 0.074178 0.008640 -0.014312 -0.001237 0.000058 0.011090 1Rh 4dxy 0.031356 -0.014911 0.031262 -0.000461 -0.000061 0.009558 1Rh 5dz2 0.051959 0.023380 0.002324 0.004767 0.003228 0.010991 1Rh 5dxz 0.069151 -0.042391 -0.017127 0.003043 0.010707 0.013634 1Rh 5dyz 0.011349 0.006113 -0.008314 0.003167 0.019376 -0.013882 1Rh 5dx2y2 -0.106935 -0.004965 0.018925 0.001644 -0.004358 -0.031968 1Rh 5dxy -0.042335 0.023645 -0.048006 0.003302 -0.003226 -0.025213 1Rh 1f0 -0.013726 -0.006607 0.011489 -0.000295 -0.013125 -0.005761 1Rh 1f+1 0.011890 0.005962 0.003358 -0.000020 -0.006013 0.005024 1Rh 1f-1 0.004600 0.009275 0.019900 -0.000672 0.002907 -0.013809 1Rh 1f+2 0.018935 -0.019380 -0.001680 0.001213 -0.008957 0.002345 1Rh 1f-2 0.008442 -0.005457 0.014900 -0.000255 -0.000759 -0.005478 1Rh 1f+3 0.022238 0.011404 -0.007463 0.000708 0.004033 0.002393 1Rh 1f-3 0.013315 -0.003810 0.007674 -0.000183 0.002137 0.009182 2C 1s -0.000358 -0.000900 -0.001238 -0.000531 -0.001069 0.000259 2C 2s 0.000093 -0.000989 -0.001378 0.000011 -0.000545 0.000685 2C 3s 0.000948 -0.007678 -0.011832 -0.023510 -0.017979 -0.050297 2C 4s -0.309104 0.023061 0.033279 0.074963 0.023283 0.278679 2C 5s 0.286328 0.039958 0.083809 -0.172601 -0.462098 0.563501 2C 1pz 0.000218 0.008138 0.009447 -0.002069 -0.000241 -0.009404 2C 1px -0.002723 -0.027936 -0.035757 0.000735 -0.003254 -0.003298 2C 1py -0.000516 -0.004745 -0.004505 0.007987 0.015779 -0.001588 2C 2pz -0.297494 -0.134633 -0.174149 0.024127 -0.044818 0.161072 2C 2px -0.028928 0.295861 0.386307 0.001277 0.030073 0.036785 2C 2py -0.188920 0.013134 0.012252 -0.099874 -0.185553 0.069933 2C 3pz 0.137039 0.021557 0.022624 -0.052762 -0.097810 0.140378 2C 3px 0.069564 -0.055061 -0.071170 -0.016058 -0.018214 0.010180 2C 3py 0.075785 -0.016480 0.003657 0.041674 -0.030508 0.106339 2C 1dz2 -0.002495 -0.000009 -0.002251 -0.018994 -0.029464 -0.008167 2C 1dxz -0.003730 -0.011890 -0.011430 -0.015604 -0.023578 -0.013076 2C 1dyz -0.001808 0.004005 0.006696 0.010895 0.015253 0.010480 2C 1dx2y2 0.005923 0.007709 0.010124 -0.016649 -0.024635 -0.006347 2C 1dxy 0.000397 -0.005743 -0.006512 0.010412 0.009229 0.002489 2C 2dz2 -0.054345 -0.066166 -0.091755 -0.031172 -0.036856 0.023949 2C 2dxz -0.016310 0.025248 0.031363 -0.059076 -0.079584 0.011134 2C 2dyz -0.074498 0.016650 0.020807 -0.001496 -0.029066 0.028480 2C 2dx2y2 0.035160 0.084677 0.103433 -0.025789 0.010214 -0.025802 2C 2dxy -0.004529 0.051057 0.072826 0.038900 0.050379 0.019342 2C 1f0 0.003330 0.011184 0.008159 -0.042876 -0.044742 -0.012726 2C 1f+1 -0.003950 0.002970 0.008892 -0.017837 -0.018065 -0.017416 2C 1f-1 0.017327 -0.008647 -0.010175 0.010257 0.011814 0.006300 2C 1f+2 -0.007012 -0.020764 -0.026354 -0.027452 -0.036669 -0.011190 2C 1f-2 0.010633 0.011364 0.018412 0.016558 0.020518 0.005084 2C 1f+3 0.000478 -0.007201 -0.012117 -0.035206 -0.048734 -0.017172 2C 1f-3 -0.006015 0.005964 0.008774 0.039569 0.048706 0.013910 3C 1s -0.000253 -0.000769 0.000627 -0.000899 -0.000139 -0.001678 3C 2s 0.000200 -0.000906 0.000739 -0.000089 -0.000604 -0.000775 3C 3s 0.002467 -0.001346 0.002438 -0.039119 0.051367 -0.044322 3C 4s -0.311250 -0.036119 0.015475 0.138019 -0.283839 0.138175 3C 5s 0.281923 0.073444 -0.139527 -0.242990 -0.541213 -0.626528 3C 1pz -0.000498 0.012461 -0.010067 0.007370 0.001348 0.016896 3C 1px 0.000244 -0.032866 0.030776 0.000199 0.001711 0.004193 3C 1py 0.000666 -0.005452 0.004225 0.000281 -0.008619 0.000182 3C 2pz -0.161146 -0.182906 0.152634 -0.101096 -0.070028 -0.198943 3C 2px -0.115984 0.335002 -0.315414 -0.002650 -0.040826 -0.043796 3C 2py 0.278892 0.143121 -0.111873 -0.010093 0.148715 0.031896 3C 3pz 0.040797 0.027860 -0.028283 0.037357 -0.097437 -0.039391 3C 3px 0.064500 -0.054240 0.066271 -0.003075 -0.050327 -0.030237 3C 3py -0.152179 -0.016872 0.043321 0.059729 0.132646 0.119199 3C 1dz2 -0.002883 0.005172 -0.002944 0.011136 -0.005725 0.023925 3C 1dxz -0.004093 -0.017353 0.014917 0.010246 -0.005464 0.017821 3C 1dyz 0.002262 -0.006185 0.005466 -0.017682 0.011462 -0.025265 3C 1dx2y2 0.003947 0.001295 -0.002183 0.018439 -0.010658 0.028447 3C 1dxy 0.001408 0.004514 -0.003847 0.006286 -0.001403 0.009879 3C 2dz2 0.006956 -0.032585 0.031699 0.000958 0.008854 -0.023969 3C 2dxz -0.024844 -0.049326 0.048811 0.010897 -0.028018 -0.015639 3C 2dyz 0.065597 0.022298 -0.019458 -0.031065 0.015560 -0.023200 3C 2dx2y2 0.043394 0.112577 -0.087975 0.070538 0.024027 0.096460 3C 2dxy 0.044456 -0.082301 0.078816 0.032783 0.023333 0.067678 3C 1f0 -0.014888 0.009053 -0.003821 0.027723 -0.006910 0.041594 3C 1f+1 -0.005403 0.011714 -0.009542 0.042130 -0.011877 0.055929 3C 1f-1 0.002926 0.010259 -0.012378 -0.025694 0.005945 -0.030527 3C 1f+2 -0.013927 -0.002317 -0.001211 -0.040727 0.017364 -0.060737 3C 1f-2 -0.007368 -0.024143 0.021925 -0.026685 0.006935 -0.035048 3C 1f+3 0.001971 -0.008023 0.010292 0.007328 -0.000728 0.010712 3C 1f-3 0.001717 -0.006736 0.006956 0.028739 -0.020326 0.032146 4C 1s 0.003995 0.000382 0.000739 0.000659 -0.001864 0.007752 4C 2s 0.003509 0.000879 0.001212 0.000968 -0.002982 0.012624 4C 3s 0.172379 0.007198 0.027090 0.015332 0.066699 -0.143297 4C 4s -1.419602 -0.020217 -0.094000 -0.106270 -0.196180 0.300519 4C 5s -0.212714 0.006602 -0.017666 0.058970 0.096513 0.040456 4C 1pz 0.019943 0.065148 0.082836 -0.008730 0.009713 -0.034318 4C 1px -0.006256 -0.198151 -0.245107 0.020154 0.009406 -0.033946 4C 1py 0.007599 -0.035961 -0.041774 0.009325 0.020870 -0.030186 4C 2pz -0.544209 0.080809 0.048781 -0.178693 -0.307865 0.210282 4C 2px -0.016516 -0.413868 -0.489090 0.000668 -0.094504 -0.097330 4C 2py -0.326901 -0.095731 -0.127831 0.181189 0.156201 0.240126 4C 3pz 0.382360 -0.023463 -0.003655 0.042347 -0.227065 0.560457 4C 3px 0.043866 0.010132 -0.005403 0.045190 -0.016610 0.142711 4C 3py 0.263517 -0.006600 -0.019380 -0.151161 -0.226994 0.351251 4C 1dz2 -0.032201 0.117196 0.125556 -0.095756 -0.125981 0.008420 4C 1dxz -0.017058 -0.204020 -0.234581 -0.009594 -0.045774 0.000340 4C 1dyz -0.066575 -0.006123 0.010953 0.040341 0.052040 0.032915 4C 1dx2y2 0.007217 -0.031179 -0.017725 -0.048846 -0.040787 -0.089188 4C 1dxy -0.018534 -0.115123 -0.188793 0.003315 -0.009472 -0.043053 4C 2dz2 0.270377 -0.081393 -0.122728 -0.032793 -0.000653 -0.085202 4C 2dxz 0.324362 0.188213 0.272784 -0.002827 0.030613 -0.102414 4C 2dyz 0.272938 -0.003803 -0.008451 0.041872 0.061417 -0.036748 4C 2dx2y2 -0.365229 -0.022064 -0.036814 -0.059527 -0.101148 0.093027 4C 2dxy -0.029756 0.123552 0.172448 -0.023820 -0.040701 0.011455 4C 1f0 0.027588 -0.018310 -0.026595 0.058908 0.061326 0.003445 4C 1f+1 0.057883 0.012647 0.039770 0.147225 0.196306 0.055927 4C 1f-1 0.031826 0.026737 0.044363 -0.014455 -0.016396 0.003964 4C 1f+2 -0.063402 0.071987 0.086896 -0.059353 -0.069373 0.006086 4C 1f-2 0.014716 -0.020404 -0.050334 -0.162832 -0.211882 -0.070330 4C 1f+3 -0.002421 0.108118 0.121091 0.158156 0.203084 0.111454 4C 1f-3 0.052196 0.080488 0.090754 -0.208675 -0.242760 -0.104639 5C 1s 0.003936 0.000885 -0.000167 0.000613 -0.007242 -0.002087 5C 2s 0.003464 0.001306 -0.000298 0.000932 -0.011743 -0.003427 5C 3s 0.168782 0.019735 -0.013176 0.018640 0.138124 0.079472 5C 4s -1.407247 -0.096494 0.060691 -0.110778 -0.303617 -0.227802 5C 5s -0.204664 -0.041814 0.073118 0.106554 -0.028796 0.170950 5C 1pz 0.002617 0.081942 -0.073439 0.008240 0.020277 0.018055 5C 1px 0.018396 -0.242048 0.219998 -0.009707 0.016587 0.007080 5C 1py -0.014384 -0.051216 0.045229 -0.000728 -0.040230 -0.012457 5C 2pz -0.298372 0.082026 -0.112652 0.176323 -0.254276 0.193239 5C 2px -0.197702 -0.511154 0.508567 -0.041583 -0.041855 -0.061991 5C 2py 0.499483 0.037860 0.020490 0.138293 0.181435 0.289577 5C 3pz 0.238938 -0.001960 -0.033106 -0.155784 -0.301315 -0.248722 5C 3px 0.166229 -0.000898 -0.030295 -0.027301 -0.187612 -0.105224 5C 3py -0.368136 0.005577 0.033348 -0.039504 0.551444 0.274099 5C 1dz2 0.008160 0.088302 -0.055617 0.079381 -0.066750 0.105354 5C 1dxz -0.006315 -0.120366 0.077305 0.019291 -0.048966 0.009574 5C 1dyz 0.065900 -0.100326 0.097512 -0.038433 0.018820 -0.053673 5C 1dx2y2 0.032620 -0.135727 0.124519 0.045027 0.038863 0.093419 5C 1dxy 0.026057 0.227993 -0.238729 0.016123 0.019174 0.013870 5C 2dz2 0.105618 -0.064182 0.065468 0.066875 0.016107 0.094227 5C 2dxz 0.257783 0.171218 -0.135391 0.036018 0.076310 0.057991 5C 2dyz -0.176844 0.096067 -0.083433 -0.030134 -0.005951 -0.037595 5C 2dx2y2 -0.453713 0.071852 -0.068180 -0.002599 -0.128494 -0.064296 5C 2dxy -0.234487 -0.247511 0.204399 -0.008774 -0.066639 -0.017992 5C 1f0 0.009663 -0.088118 0.096612 -0.088185 0.059208 -0.106195 5C 1f+1 0.049456 0.089891 -0.100229 -0.187985 0.110813 -0.256539 5C 1f-1 -0.005543 -0.021841 0.011302 -0.064921 0.037361 -0.097915 5C 1f+2 -0.032512 0.066818 -0.059881 0.164402 -0.075178 0.226890 5C 1f-2 -0.057691 0.084668 -0.076104 -0.012409 -0.008460 -0.022472 5C 1f+3 0.047947 0.089070 -0.061267 0.031545 -0.000089 0.054746 5C 1f-3 -0.051815 0.004381 -0.013593 -0.167787 0.060404 -0.229510 6C 1s 0.003920 0.000873 -0.000148 0.000440 0.007259 0.002117 6C 2s 0.003445 0.001294 -0.000272 0.000645 0.011757 0.003488 6C 3s 0.168408 0.019938 -0.013819 0.023906 -0.137589 -0.078483 6C 4s -1.404856 -0.096475 0.062604 -0.125094 0.298729 0.223727 6C 5s -0.204232 -0.043244 0.074560 0.112504 0.026599 -0.159252 6C 1pz -0.002549 -0.081798 0.073347 -0.009270 0.020104 0.017953 6C 1px -0.018669 0.241071 -0.219495 0.008819 0.016824 0.006683 6C 1py 0.014381 0.051141 -0.045179 0.001579 -0.040111 -0.012646 6C 2pz 0.299356 -0.080548 0.109764 -0.185743 -0.253906 0.182235 6C 2px 0.195357 0.509505 -0.504050 0.042548 -0.040167 -0.062333 6C 2py -0.499151 -0.039969 -0.020118 -0.156187 0.178778 0.282202 6C 3pz -0.239258 0.001294 0.034255 0.170256 -0.302766 -0.237660 6C 3px -0.167286 0.001495 0.030353 0.033224 -0.187507 -0.101824 6C 3py 0.368762 -0.005045 -0.034632 0.022118 0.554304 0.274047 6C 1dz2 0.007784 0.088272 -0.055016 0.085143 0.067352 -0.100876 6C 1dxz -0.006341 -0.120380 0.077479 0.019603 0.048737 -0.007892 6C 1dyz 0.066118 -0.100034 0.097003 -0.041374 -0.018944 0.051666 6C 1dx2y2 0.032754 -0.135150 0.124418 0.050864 -0.038735 -0.090069 6C 1dxy 0.025722 0.227032 -0.237939 0.016285 -0.018862 -0.013599 6C 2dz2 0.104841 -0.063764 0.065694 0.072173 -0.015669 -0.090229 6C 2dxz 0.257866 0.171595 -0.136096 0.039518 -0.075123 -0.056408 6C 2dyz -0.176776 0.095812 -0.084352 -0.032175 0.005443 0.036305 6C 2dx2y2 -0.453058 0.070742 -0.068155 -0.006491 0.127403 0.065070 6C 2dxy -0.234654 -0.248066 0.206049 -0.010488 0.065192 0.018378 6C 1f0 -0.010014 0.087594 -0.095550 0.093462 0.059391 -0.100691 6C 1f+1 -0.049801 -0.089227 0.100876 0.202925 0.111649 -0.245044 6C 1f-1 0.005221 0.022097 -0.011012 0.070476 0.037806 -0.094019 6C 1f+2 0.033054 -0.066555 0.058377 -0.176882 -0.075767 0.216974 6C 1f-2 0.057753 -0.084704 0.076075 0.013835 -0.008495 -0.021535 6C 1f+3 -0.047655 -0.088986 0.060980 -0.034571 -0.000580 0.053377 6C 1f-3 0.051245 -0.004207 0.014544 0.180676 0.061356 -0.219046 7C 1s 0.004004 0.000395 0.000794 0.001096 0.001908 -0.007670 7C 2s 0.003520 0.000901 0.001308 0.001686 0.003036 -0.012495 7C 3s 0.173324 0.007090 0.025665 0.006215 -0.065097 0.144079 7C 4s -1.424220 -0.019697 -0.089217 -0.086290 0.187204 -0.306147 7C 5s -0.212704 0.006594 -0.017677 0.059689 -0.090762 -0.034833 7C 1pz -0.019801 -0.064561 -0.082152 0.011127 0.009814 -0.034238 7C 1px 0.005761 0.196884 0.244460 -0.018202 0.008475 -0.033277 7C 1py -0.008079 0.035716 0.041801 -0.007422 0.020654 -0.030475 7C 2pz 0.545094 -0.080039 -0.048744 0.164001 -0.303322 0.219946 7C 2px 0.016969 0.410110 0.483128 0.005142 -0.096447 -0.093785 7C 2py 0.330140 0.095015 0.125695 -0.197621 0.156566 0.230229 7C 3pz -0.383473 0.021653 -0.001132 -0.078238 -0.222967 0.559008 7C 3px -0.043713 -0.008690 0.005091 -0.053875 -0.016379 0.139679 7C 3py -0.264417 0.005914 0.016494 0.128487 -0.224690 0.363110 7C 1dz2 -0.032620 0.116295 0.124880 -0.095431 0.125119 -0.012880 7C 1dxz -0.016956 -0.202415 -0.232768 -0.009356 0.046310 -0.002802 7C 1dyz -0.066933 -0.005709 0.011678 0.042404 -0.051721 -0.030280 7C 1dx2y2 0.007493 -0.030604 -0.017404 -0.054683 0.040722 0.085792 7C 1dxy -0.018482 -0.115272 -0.189553 0.000631 0.010145 0.041876 7C 2dz2 0.270434 -0.081550 -0.123925 -0.038841 0.002790 0.081549 7C 2dxz 0.323781 0.188590 0.273550 -0.010118 -0.028754 0.104411 7C 2dyz 0.273468 -0.003802 -0.008709 0.039045 -0.060144 0.038860 7C 2dx2y2 -0.367002 -0.022020 -0.036000 -0.052636 0.098015 -0.097082 7C 2dxy -0.030261 0.123483 0.173512 -0.023158 0.039896 -0.011007 7C 1f0 -0.028085 0.018504 0.027138 -0.059340 0.061140 -0.000144 7C 1f+1 -0.058603 -0.012739 -0.040061 -0.151097 0.195971 0.046908 7C 1f-1 -0.031874 -0.027125 -0.044724 0.014384 -0.016536 0.004454 7C 1f+2 0.063653 -0.071767 -0.086821 0.059370 -0.069075 0.008847 7C 1f-2 -0.014459 0.021024 0.050927 0.167343 -0.211085 -0.059734 7C 1f+3 0.002257 -0.106892 -0.119718 -0.165210 0.202640 0.100620 7C 1f-3 -0.052235 -0.080024 -0.089688 0.215734 -0.241811 -0.092587 8C 1s -0.000250 -0.000784 0.000634 -0.000978 0.000142 0.001598 8C 2s 0.000200 -0.000921 0.000746 -0.000136 0.000604 0.000765 8C 3s 0.002742 -0.001360 0.002659 -0.040611 -0.051019 0.040686 8C 4s -0.312244 -0.036774 0.014755 0.141646 0.281301 -0.123826 8C 5s 0.283255 0.076222 -0.142946 -0.275571 0.545374 0.602940 8C 1pz 0.000529 -0.012456 0.009932 -0.008300 0.001296 0.016419 8C 1px -0.000271 0.032854 -0.030817 -0.000482 0.001728 0.004017 8C 1py -0.000650 0.005409 -0.004174 -0.000323 -0.008654 0.000174 8C 2pz 0.160664 0.183727 -0.152021 0.111985 -0.068589 -0.192623 8C 2px 0.116287 -0.333937 0.315420 0.005582 -0.040429 -0.042222 8C 2py -0.279008 -0.144591 0.112441 0.008069 0.148088 0.033536 8C 3pz -0.041073 -0.028134 0.028182 -0.034981 -0.097884 -0.040870 8C 3px -0.065271 0.053934 -0.065759 0.004702 -0.050754 -0.029673 8C 3py 0.151990 0.017167 -0.043991 -0.066309 0.133574 0.114190 8C 1dz2 -0.002919 0.004953 -0.002593 0.012463 0.005776 -0.023247 8C 1dxz -0.004129 -0.017228 0.014889 0.011542 0.005612 -0.017342 8C 1dyz 0.002337 -0.006178 0.005381 -0.018977 -0.011507 0.024133 8C 1dx2y2 0.003910 0.001542 -0.002229 0.019977 0.010760 -0.027165 8C 1dxy 0.001366 0.004670 -0.003920 0.006907 0.001450 -0.009705 8C 2dz2 0.007120 -0.033877 0.032877 -0.000478 -0.008863 0.024085 8C 2dxz -0.024823 -0.049183 0.048581 0.011098 0.028612 0.015312 8C 2dyz 0.065719 0.022032 -0.019112 -0.032044 -0.015350 0.020837 8C 2dx2y2 0.043097 0.113822 -0.088703 0.075120 -0.023330 -0.091295 8C 2dxy 0.044350 -0.080790 0.078185 0.037093 -0.023335 -0.065785 8C 1f0 0.014958 -0.009553 0.004023 -0.030117 -0.007072 0.039931 8C 1f+1 0.005615 -0.011457 0.009095 -0.044622 -0.011823 0.052533 8C 1f-1 -0.002967 -0.010158 0.012453 0.027686 0.006207 -0.029297 8C 1f+2 0.013776 0.002449 0.001300 0.043789 0.017336 -0.057791 8C 1f-2 0.007281 0.024228 -0.021917 0.028315 0.006989 -0.033038 8C 1f+3 -0.001905 0.007685 -0.009983 -0.007881 -0.000820 0.010001 8C 1f-3 -0.001538 0.006775 -0.007170 -0.030628 -0.020597 0.030298 9C 1s -0.000366 -0.000915 -0.001251 -0.000462 0.001001 -0.000325 9C 2s 0.000088 -0.001007 -0.001401 0.000071 0.000527 -0.000708 9C 3s 0.000811 -0.007879 -0.011855 -0.025024 0.015421 0.047981 9C 4s -0.309243 0.024412 0.034376 0.086682 -0.014503 -0.270125 9C 5s 0.287923 0.042532 0.092370 -0.129840 0.444492 -0.578604 9C 1pz -0.000202 -0.008104 -0.009380 0.002907 -0.000461 -0.009481 9C 1px 0.002725 0.027845 0.035725 -0.000534 -0.003385 -0.003044 9C 1py 0.000503 0.004817 0.004637 -0.007767 0.015523 -0.002080 9C 2pz 0.297335 0.134616 0.174078 -0.036789 -0.041780 0.162003 9C 2px 0.028320 -0.294768 -0.386020 -0.003136 0.031399 0.033011 9C 2py 0.190248 -0.013406 -0.013525 0.093725 -0.181557 0.075473 9C 3pz -0.136281 -0.021905 -0.024106 0.043672 -0.095751 0.143800 9C 3px -0.069624 0.054155 0.071432 0.015221 -0.018263 0.011841 9C 3py -0.078115 0.016384 -0.004333 -0.048518 -0.029588 0.104730 9C 1dz2 -0.002550 -0.000013 -0.002247 -0.019561 0.029315 0.006931 9C 1dxz -0.003803 -0.011977 -0.011583 -0.016289 0.023408 0.012127 9C 1dyz -0.001692 0.003839 0.006484 0.011104 -0.014720 -0.009580 9C 1dx2y2 0.005830 0.007643 0.010090 -0.017559 0.025058 0.005577 9C 1dxy 0.000466 -0.005281 -0.005956 0.010425 -0.008965 -0.001870 9C 2dz2 -0.054121 -0.065581 -0.090860 -0.028224 0.034554 -0.026446 9C 2dxz -0.016766 0.024035 0.029713 -0.057119 0.077603 -0.014312 9C 2dyz -0.074548 0.015666 0.019871 -0.000041 0.029017 -0.028671 9C 2dx2y2 0.035480 0.084086 0.102911 -0.030080 -0.007447 0.026487 9C 2dxy -0.004265 0.053583 0.075630 0.039690 -0.049947 -0.016938 9C 1f0 -0.003165 -0.010933 -0.007932 0.044471 -0.045244 -0.010631 9C 1f+1 0.003871 -0.003497 -0.009418 0.019467 -0.018340 -0.016506 9C 1f-1 -0.017398 0.008558 0.010204 -0.009929 0.010749 0.005568 9C 1f+2 0.007531 0.020741 0.026282 0.027080 -0.035355 -0.009015 9C 1f-2 -0.010490 -0.011229 -0.018069 -0.016002 0.019237 0.003291 9C 1f+3 -0.000413 0.007553 0.012501 0.035832 -0.047847 -0.014826 9C 1f-3 0.005914 -0.005622 -0.008339 -0.039730 0.047712 0.011280 10H 1s 0.003676 -0.043477 -0.054307 -0.020351 -0.036023 -0.006011 10H 2s -0.068977 -0.169266 -0.221979 -0.018464 -0.062407 0.000054 10H 3s 0.032499 0.046606 0.059644 0.024963 0.044530 -0.009403 10H 1pz -0.007912 -0.051417 -0.065276 -0.011560 -0.023291 -0.010669 10H 1px 0.014802 0.040319 0.052598 0.009199 0.022278 0.000274 10H 1py -0.002666 -0.026437 -0.034721 0.004509 0.000759 0.000262 11H 1s -0.003661 0.008368 0.014001 0.009541 0.015335 -0.000498 11H 2s -0.027081 0.027429 0.033088 0.080479 0.094804 0.015532 11H 3s 0.078508 -0.026956 -0.052903 -0.003206 0.024620 -0.032061 11H 1pz 0.003738 0.007355 0.007508 0.028073 0.033850 0.013935 11H 1px -0.008315 0.010480 0.011802 0.008263 0.011366 -0.002101 11H 1py 0.018448 0.005644 0.004681 -0.012681 -0.011998 -0.004940 12H 1s 0.001816 0.016988 0.014868 -0.045030 -0.054456 -0.016221 12H 2s -0.033749 0.038675 0.046472 -0.081162 -0.098785 -0.027382 12H 3s 0.055457 -0.048179 -0.049412 0.052848 0.061917 -0.016908 12H 1pz 0.013923 0.005802 0.010981 0.001373 0.001916 -0.002404 12H 1px -0.003648 0.011101 0.014374 -0.005839 -0.004074 -0.006019 12H 1py -0.005911 0.013209 0.015884 -0.044796 -0.058558 -0.013328 13H 1s 0.008301 -0.048298 0.041816 -0.038262 0.003955 -0.056866 13H 2s -0.046664 -0.195892 0.176731 -0.060643 -0.005209 -0.106305 13H 3s 0.033219 0.051123 -0.054491 0.049239 0.008774 0.072883 13H 1pz -0.004903 -0.059375 0.052068 -0.019117 -0.000502 -0.032471 13H 1px 0.009607 0.029453 -0.026913 0.019681 -0.000898 0.031033 13H 1py -0.001418 0.046344 -0.041971 0.019264 -0.009752 0.027903 14H 1s 0.002823 0.021575 -0.025543 -0.046677 0.018141 -0.066064 14H 2s -0.041775 0.066205 -0.065357 -0.064963 0.020983 -0.103780 14H 3s 0.049560 -0.046348 0.067226 0.053654 0.014826 0.079905 14H 1pz -0.002445 0.016198 -0.015409 -0.029047 0.006413 -0.047885 14H 1px -0.009665 0.025235 -0.024381 -0.027313 0.012550 -0.041826 14H 1py -0.009428 -0.014928 0.009205 -0.002892 -0.003515 -0.003334 15H 1s -0.005905 0.009181 -0.005663 0.000511 0.007723 0.005019 15H 2s -0.026758 0.020174 -0.017072 0.081656 0.002920 0.101355 15H 3s 0.084561 -0.033355 0.027603 0.001791 0.027010 0.039998 15H 1pz 0.021268 0.000574 -0.001952 -0.009449 -0.002087 -0.009978 15H 1px 0.001977 0.010150 -0.011143 -0.000625 0.005471 0.000624 15H 1py -0.001055 -0.004985 0.005817 -0.024969 0.006591 -0.031670 16H 1s 0.074166 -0.159555 -0.053966 0.007098 0.028104 -0.013237 16H 2s 0.067545 -0.141104 -0.048818 0.011306 0.012359 -0.107034 16H 3s -0.056092 0.042591 0.020365 -0.002911 -0.007909 0.009079 16H 1pz 0.066207 -0.176661 -0.056930 0.008935 0.019782 -0.037583 16H 1px 0.002324 0.003287 -0.000503 0.000743 0.005319 -0.022160 16H 1py 0.033145 -0.071944 -0.021867 0.003255 0.025544 -0.015341 17H 1s 0.085852 0.159188 0.034266 -0.002833 -0.010287 0.051852 17H 2s 0.073844 0.134246 0.017929 0.001486 -0.073285 -0.021929 17H 3s -0.056580 -0.042308 0.000270 -0.000290 0.007082 -0.005503 17H 1pz -0.058459 -0.116407 -0.024331 0.001061 0.026736 -0.013623 17H 1px -0.041022 -0.110537 -0.026254 0.002021 -0.005744 -0.024637 17H 1py 0.048579 0.097949 0.021464 -0.002212 -0.020441 0.033473 18H 1s 0.084702 0.159730 0.039256 -0.001788 0.011001 -0.054516 18H 2s 0.069944 0.134740 0.022196 -0.002133 0.071823 0.019056 18H 3s -0.056093 -0.043132 -0.001195 -0.000269 -0.007259 0.006213 18H 1pz 0.058834 0.119540 0.028584 -0.001973 0.027477 -0.016668 18H 1px 0.039376 0.110937 0.029758 -0.002075 -0.006081 -0.026062 18H 1py -0.045589 -0.094814 -0.023795 0.001569 -0.019724 0.034844 19H 1s 0.075751 -0.159823 -0.058620 0.008663 -0.027611 0.015766 19H 2s 0.069031 -0.141190 -0.053741 0.006705 -0.012485 0.109332 19H 3s -0.056594 0.042045 0.021612 -0.002897 0.007754 -0.009477 19H 1pz -0.066576 0.175238 0.061740 -0.009092 0.019335 -0.039941 19H 1px -0.001290 -0.004702 -0.000011 0.000825 0.004339 -0.021764 19H 1py -0.036336 0.076042 0.025536 -0.003634 0.025708 -0.018068 20H 1s -0.005874 0.009406 -0.005757 0.001376 -0.007362 -0.005590 20H 2s -0.027133 0.020437 -0.016912 0.087037 -0.002235 -0.096142 20H 3s 0.084315 -0.034226 0.028062 0.003783 -0.027223 -0.039170 20H 1pz -0.021276 -0.000651 0.002116 0.010157 -0.001911 -0.009563 20H 1px -0.001834 -0.010215 0.011195 0.000615 0.005591 0.000708 20H 1py 0.001001 0.005110 -0.005781 0.026892 0.006965 -0.030379 21H 1s 0.002876 0.021206 -0.025492 -0.049981 -0.018313 0.062424 21H 2s -0.041225 0.064461 -0.064423 -0.070927 -0.021870 0.098737 21H 3s 0.049825 -0.046192 0.067336 0.057786 -0.014977 -0.075561 21H 1pz 0.002355 -0.015770 0.015300 0.032061 0.006682 -0.046220 21H 1px 0.009512 -0.024675 0.024044 0.029287 0.012678 -0.039278 21H 1py 0.009569 0.014814 -0.009105 0.003176 -0.003327 -0.003330 22H 1s 0.008483 -0.048415 0.041681 -0.040580 -0.003671 0.053709 22H 2s -0.046308 -0.196800 0.177364 -0.065396 0.005276 0.101840 22H 3s 0.032701 0.050849 -0.054012 0.052333 -0.009003 -0.068844 22H 1pz 0.004746 0.059255 -0.051920 0.020089 -0.000627 -0.030395 22H 1px -0.009486 -0.029801 0.027070 -0.021191 -0.000797 0.029732 22H 1py 0.001443 -0.046785 0.042354 -0.020699 -0.009730 0.026802 23H 1s 0.001478 0.016581 0.014630 -0.044857 0.052506 0.013488 23H 2s -0.033448 0.036743 0.044969 -0.082874 0.096777 0.023860 23H 3s 0.056156 -0.047919 -0.050242 0.050758 -0.059000 0.020057 23H 1pz -0.014163 -0.005578 -0.010618 -0.001226 0.001790 -0.002406 23H 1px 0.003446 -0.010747 -0.014163 0.005311 -0.002696 -0.005603 23H 1py 0.006033 -0.012510 -0.015317 0.045414 -0.057514 -0.010943 24H 1s -0.003427 0.008522 0.014360 0.010823 -0.016783 0.000324 24H 2s -0.027002 0.027479 0.033102 0.080796 -0.094177 -0.011572 24H 3s 0.077655 -0.027335 -0.054483 -0.005978 -0.022078 0.032019 24H 1pz -0.003794 -0.007520 -0.007699 -0.029230 0.034161 0.012699 24H 1px 0.008410 -0.010440 -0.011854 -0.008460 0.011897 -0.002376 24H 1py -0.018224 -0.005866 -0.004895 0.013155 -0.012165 -0.004596 25H 1s 0.003531 -0.043346 -0.054213 -0.018735 0.033829 0.003533 25H 2s -0.069825 -0.169314 -0.222591 -0.015540 0.059148 -0.004197 25H 3s 0.032534 0.045935 0.059219 0.022380 -0.041972 0.012298 25H 1pz 0.008107 0.051758 0.065811 0.011402 -0.022364 -0.009001 25H 1px -0.014976 -0.040209 -0.052560 -0.007842 0.020732 -0.001247 25H 1py 0.002517 0.025925 0.034018 -0.005234 0.001821 0.000359 26O 1s 0.000024 0.001282 0.001601 -0.000144 0.000064 0.000452 26O 2s 0.001095 0.007350 0.009198 -0.000749 0.000124 0.002383 26O 3s -0.053324 -0.134782 -0.170250 0.011210 -0.006179 -0.033009 26O 4s 0.299832 0.320182 0.399790 -0.014212 0.059390 0.034845 26O 5s 0.294063 0.063505 0.092374 0.001056 0.076794 -0.172065 26O 1pz 0.018599 0.028740 0.044161 -0.022041 -0.026405 0.006299 26O 1px -0.021990 0.045332 0.059952 -0.018680 -0.021471 0.019038 26O 1py 0.003418 0.053514 0.046239 0.028139 0.030165 0.034061 26O 2pz -0.099258 -0.114352 -0.158137 0.093160 0.097214 0.011300 26O 2px -0.071131 -0.232729 -0.299287 0.075020 0.049013 -0.032187 26O 2py -0.087877 -0.212026 -0.211512 -0.128737 -0.163798 -0.106920 26O 3pz -0.241248 -0.068636 -0.063733 -0.015640 0.039187 0.024432 26O 3px -0.675877 0.001249 0.027307 -0.035512 -0.062586 0.206173 26O 3py -0.390008 0.009005 -0.069012 0.008330 -0.072382 0.066777 26O 1dz2 -0.021208 -0.025763 -0.100978 -0.099499 -0.119322 -0.083341 26O 1dxz 0.027642 0.023057 0.018729 -0.109104 -0.137549 0.001252 26O 1dyz -0.010011 -0.050807 -0.027471 0.036785 0.051270 -0.006675 26O 1dx2y2 -0.002469 0.028288 0.011905 -0.147569 -0.169546 -0.070658 26O 1dxy 0.016037 0.066535 0.051696 0.064399 0.068183 0.069067 26O 2dz2 -0.028939 -0.056893 -0.043490 0.015335 0.013040 0.003096 26O 2dxz 0.027875 0.039732 0.056706 -0.030702 -0.031115 -0.016988 26O 2dyz 0.007878 0.051636 0.051897 -0.022597 -0.024922 0.005333 26O 2dx2y2 0.027539 0.047332 0.078427 -0.038016 -0.042496 -0.004228 26O 2dxy 0.044663 0.097081 0.127545 0.042832 0.067287 0.038780 26O 1f0 0.006532 0.030947 0.010951 -0.031899 -0.056658 0.019723 26O 1f+1 0.028988 0.097873 0.107588 0.105491 0.140658 0.071049 26O 1f-1 0.005569 0.001553 -0.020027 0.097733 0.128883 0.026429 26O 1f+2 -0.046587 0.075084 0.058537 0.155386 0.195133 0.075957 26O 1f-2 0.035909 -0.093328 -0.135311 0.016403 0.034753 -0.071628 26O 1f+3 -0.012380 0.015604 0.070195 -0.228666 -0.271726 -0.123492 26O 1f-3 -0.000761 0.207082 0.252924 -0.024920 -0.030773 0.081250 27O 1s -0.000276 0.001750 -0.001564 0.000231 -0.000139 0.000311 27O 2s 0.000071 0.009613 -0.008731 0.001104 -0.000970 0.001234 27O 3s -0.042752 -0.174428 0.158694 -0.021447 0.010238 -0.026297 27O 4s 0.289292 0.413196 -0.380541 0.075601 0.033847 0.126409 27O 5s 0.448510 0.115087 -0.079652 0.046967 0.129805 0.110130 27O 1pz 0.011934 0.016479 -0.033012 0.032133 -0.017671 0.035429 27O 1px -0.019055 0.066786 -0.064694 0.011084 -0.025365 0.000121 27O 1py -0.014409 -0.048883 0.036538 0.017224 0.003263 0.027789 27O 2pz -0.043452 -0.060506 0.099528 -0.139599 0.061764 -0.163146 27O 2px -0.116241 -0.342488 0.317581 -0.076874 0.038370 -0.081195 27O 2py 0.107140 0.191276 -0.153457 -0.068908 0.030964 -0.093960 27O 3pz -0.019744 -0.075718 0.013958 0.032521 0.035606 -0.023370 27O 3px -0.747608 -0.030715 0.052430 -0.032889 -0.190924 -0.111486 27O 3py 0.268377 0.063121 -0.116101 0.018475 0.041779 -0.040186 27O 1dz2 -0.001690 -0.013492 0.072053 0.078203 -0.027972 0.113608 27O 1dxz 0.010930 0.020923 -0.018716 0.131933 -0.078697 0.163761 27O 1dyz 0.020008 0.040307 -0.066825 -0.068305 0.004388 -0.091836 27O 1dx2y2 0.011508 0.098962 -0.058611 0.098092 -0.065490 0.119475 27O 1dxy -0.020963 -0.031313 0.014440 0.064368 0.000889 0.082307 27O 2dz2 -0.031604 -0.098675 0.066843 -0.032234 0.014866 -0.041621 27O 2dxz 0.002222 0.013615 -0.020816 0.049507 -0.019464 0.069354 27O 2dyz 0.007534 -0.026851 0.037773 -0.006283 0.011605 -0.010541 27O 2dx2y2 0.044977 0.095421 -0.102730 0.021466 -0.008437 0.022677 27O 2dxy -0.036088 -0.097959 0.089355 0.026126 -0.021616 0.039821 27O 1f0 0.008596 0.021948 -0.041299 0.127360 -0.098279 0.160133 27O 1f+1 -0.009328 0.209688 -0.188323 -0.061442 -0.009979 -0.111399 27O 1f-1 0.008513 -0.065719 0.020007 0.067033 -0.012272 0.096986 27O 1f+2 -0.018284 0.097029 -0.056677 -0.120971 0.051461 -0.163644 27O 1f-2 -0.072952 0.111224 -0.129145 0.123144 -0.108290 0.142232 27O 1f+3 0.000420 0.122309 -0.129838 0.161407 -0.065574 0.219224 27O 1f-3 0.000645 -0.115577 0.104117 0.038790 0.036386 0.085489 28O 1s -0.000083 -0.000890 -0.001094 0.000337 0.000346 -0.000436 28O 2s 0.000880 -0.005945 -0.007183 0.001571 0.001158 -0.001462 28O 3s -0.056430 0.114468 0.134888 -0.028584 -0.020377 0.028367 28O 4s 0.338436 -0.240645 -0.263269 0.087822 0.089021 -0.146934 28O 5s 0.525306 -0.045904 0.005319 0.053968 0.097465 -0.184309 28O 1pz 0.003694 -0.047507 -0.071625 -0.016104 -0.031606 0.004212 28O 1px 0.020000 0.030627 0.025141 -0.018899 -0.016897 -0.014648 28O 1py 0.009025 -0.034714 -0.021504 0.041234 0.042507 0.022051 28O 2pz -0.162818 0.202402 0.263385 0.050142 0.090832 0.077165 28O 2px 0.083220 -0.147962 -0.125390 0.103074 0.104094 -0.004002 28O 2py -0.063407 0.113264 0.076055 -0.179361 -0.198875 -0.063679 28O 3pz -0.572627 0.095210 0.110514 -0.058799 -0.056564 0.152784 28O 3px 0.560613 0.044696 0.031295 0.022165 0.102767 -0.187365 28O 3py -0.153122 0.018614 0.120696 0.015524 -0.057533 0.001036 28O 1dz2 0.015106 -0.027570 0.000258 -0.166461 -0.211853 -0.069397 28O 1dxz -0.021718 0.052458 0.103758 -0.023250 -0.000598 -0.026495 28O 1dyz -0.010238 0.026918 0.034832 0.118048 0.153247 0.045920 28O 1dx2y2 -0.002088 -0.059029 -0.014500 -0.033202 -0.034280 -0.025409 28O 1dxy -0.019178 0.055557 0.044867 -0.110549 -0.120948 -0.068297 28O 2dz2 0.016772 -0.029480 -0.064451 -0.023090 -0.036030 -0.024960 28O 2dxz -0.066395 0.102539 0.107646 0.002445 0.012984 0.031391 28O 2dyz 0.008776 -0.055202 -0.053902 0.036028 0.038910 0.009604 28O 2dx2y2 0.027322 -0.031879 -0.055471 0.034507 0.035038 0.010250 28O 2dxy -0.018894 0.017550 0.012860 -0.056925 -0.074755 -0.015156 28O 1f0 0.011928 -0.069338 -0.011489 0.213176 0.263342 0.080423 28O 1f+1 0.012741 -0.092060 -0.139682 -0.119963 -0.196043 -0.026630 28O 1f-1 0.050537 0.140865 0.184078 -0.069876 -0.053388 -0.089881 28O 1f+2 0.001335 0.120034 0.183222 0.023062 0.040852 0.026373 28O 1f-2 -0.026004 -0.081904 -0.044641 0.188075 0.229525 0.114601 28O 1f+3 0.023666 0.115274 0.140637 0.047332 0.069648 0.030132 28O 1f-3 0.043877 -0.004122 0.021399 0.097105 0.131636 0.045997 29O 1s 0.005206 -0.000163 -0.000138 0.000120 -0.000471 -0.000661 29O 2s 0.013543 -0.000487 -0.000270 0.000304 -0.001493 -0.002104 29O 3s -0.103814 0.004436 -0.000453 -0.002054 0.016737 0.022207 29O 4s 0.342597 -0.010535 -0.007114 0.009166 -0.043520 -0.048409 29O 5s -1.158710 0.019890 0.070334 -0.042185 0.078070 0.091227 29O 1pz -0.020032 0.061755 0.019091 -0.002435 -0.005499 0.012210 29O 1px 0.052023 0.021329 0.000952 0.000429 -0.002721 0.002694 29O 1py -0.025613 -0.003661 -0.008123 0.000014 -0.002804 -0.007127 29O 2pz 0.060684 -0.358953 -0.105395 0.013590 0.037147 -0.073291 29O 2px -0.161605 -0.127241 -0.017691 -0.000233 0.017554 -0.016206 29O 2py 0.121975 0.027287 0.017880 0.001612 0.008545 0.025196 29O 3pz -0.168656 0.015789 0.016900 -0.003721 0.065129 -0.057089 29O 3px 0.485148 -0.001509 -0.023514 0.013551 0.031197 0.017925 29O 3py 0.045891 0.002673 -0.048074 0.008375 -0.062681 -0.096576 29O 1dz2 -0.143289 0.112154 0.043691 -0.007987 -0.009917 -0.010435 29O 1dxz -0.164796 -0.114389 -0.025825 -0.001476 -0.016159 -0.005560 29O 1dyz -0.016660 0.131192 0.051492 -0.005644 -0.051472 0.029003 29O 1dx2y2 0.165116 -0.041866 -0.007088 0.005427 -0.015795 -0.015064 29O 1dxy 0.095707 0.073033 -0.030425 0.001155 0.013410 0.065392 29O 2dz2 0.032441 0.042026 0.009233 -0.000333 -0.013487 0.020551 29O 2dxz 0.049283 -0.033071 -0.008527 0.002916 0.019046 -0.019491 29O 2dyz 0.003752 0.094393 0.019150 -0.002774 0.004185 0.019588 29O 2dx2y2 -0.077066 -0.005679 -0.003719 -0.001727 0.010971 -0.002181 29O 2dxy -0.000225 0.034444 0.028064 -0.001244 -0.014338 -0.014892 29O 1f0 0.030575 -0.015082 -0.012390 0.001685 0.013907 -0.001393 29O 1f+1 0.010027 -0.024297 -0.004840 0.000687 -0.014506 0.007285 29O 1f-1 0.084709 -0.111861 -0.043793 0.006153 0.025064 -0.003930 29O 1f+2 0.040143 0.053531 0.020940 -0.000998 0.022603 0.000114 29O 1f-2 0.083381 0.156946 0.025859 -0.002804 -0.021014 0.057745 29O 1f+3 0.063719 -0.053104 -0.007307 0.001646 -0.002940 0.006317 29O 1f-3 0.002351 -0.070181 -0.030512 0.002400 0.024063 -0.011051 30O 1s 0.000194 -0.001118 0.001251 -0.000205 0.000235 -0.000328 30O 2s 0.001778 -0.007152 0.007483 -0.000763 0.000498 -0.001219 30O 3s -0.063751 0.132913 -0.137689 0.008611 -0.011784 0.011448 30O 4s 0.333240 -0.261867 0.291098 -0.009819 0.094199 0.004113 30O 5s 0.353982 0.028304 0.044720 0.022674 0.205160 0.102766 30O 1pz -0.001668 -0.043833 0.058419 0.031684 -0.027727 0.042071 30O 1px 0.023507 0.021930 -0.019106 0.009357 0.002431 0.010459 30O 1py -0.007878 0.064492 -0.045958 0.025906 0.007281 0.036115 30O 2pz -0.088610 0.173856 -0.224902 -0.141074 0.061822 -0.200780 30O 2px 0.033571 -0.107342 0.117207 -0.037162 0.032622 -0.035260 30O 2py 0.138103 -0.234095 0.193499 -0.107340 0.045508 -0.126792 30O 3pz -0.473394 0.065049 0.005769 0.013000 -0.098213 -0.082441 30O 3px 0.441696 0.085200 -0.051960 0.018609 0.180710 0.055759 30O 3py 0.527006 -0.072592 0.103131 0.035218 0.135614 0.018471 30O 1dz2 0.000384 -0.033037 0.012788 0.183790 -0.108500 0.225901 30O 1dxz -0.014896 0.052861 -0.098330 -0.026756 0.034627 -0.039207 30O 1dyz 0.001187 0.011900 0.008162 -0.061048 0.028241 -0.081817 30O 1dx2y2 -0.021035 -0.014982 -0.009549 0.083719 -0.015655 0.125677 30O 1dxy 0.034410 -0.087050 0.057591 -0.061894 -0.008756 -0.114717 30O 2dz2 -0.003595 0.025356 -0.002299 0.034559 -0.013423 0.058023 30O 2dxz -0.037217 0.073547 -0.065716 -0.041630 0.014866 -0.063019 30O 2dyz -0.037296 0.099356 -0.108831 -0.000907 0.001266 -0.002379 30O 2dx2y2 -0.003162 0.017862 0.000947 -0.000783 -0.006766 -0.001527 30O 2dxy 0.052395 -0.070087 0.071265 -0.039147 0.031500 -0.043126 30O 1f0 -0.015162 -0.235387 0.200774 -0.101889 -0.005742 -0.155493 30O 1f+1 0.023506 0.002409 0.028822 0.157318 -0.091909 0.231904 30O 1f-1 -0.024796 -0.043698 0.111081 0.203766 -0.131449 0.278157 30O 1f+2 -0.011889 -0.038513 0.008580 -0.029633 -0.035211 -0.068775 30O 1f-2 0.005404 0.199887 -0.177178 -0.020461 0.052987 -0.030006 30O 1f+3 0.042211 0.022605 -0.041121 -0.117601 0.044409 -0.177021 30O 1f-3 -0.041568 0.062998 -0.066277 -0.011957 -0.005420 -0.010662 31O 1s 0.000202 -0.001094 0.001224 -0.000213 -0.000240 0.000322 31O 2s 0.001806 -0.007064 0.007381 -0.000794 -0.000516 0.001207 31O 3s -0.064097 0.131757 -0.136257 0.008717 0.011918 -0.011462 31O 4s 0.333995 -0.258943 0.286800 -0.008037 -0.093865 -0.003719 31O 5s 0.353750 0.029114 0.043212 0.030790 -0.203445 -0.101745 31O 1pz 0.001731 0.043550 -0.058366 -0.034072 -0.027867 0.039838 31O 1px -0.023360 -0.021746 0.018910 -0.009868 0.002302 0.010196 31O 1py 0.007936 -0.064374 0.045703 -0.027962 0.007100 0.034783 31O 2pz 0.088397 -0.172424 0.224194 0.152922 0.062773 -0.191101 31O 2px -0.034174 0.106421 -0.115599 0.038506 0.032794 -0.034079 31O 2py -0.138491 0.233180 -0.191694 0.114052 0.045826 -0.121371 31O 3pz 0.473696 -0.065121 -0.005884 -0.006649 -0.097447 -0.085371 31O 3px -0.441354 -0.085421 0.053056 -0.022839 0.178988 0.055972 31O 3py -0.527167 0.072482 -0.102301 -0.037279 0.134775 0.018373 31O 1dz2 -0.000483 -0.032750 0.013816 0.196462 0.109491 -0.215139 31O 1dxz -0.014858 0.052404 -0.097902 -0.029285 -0.034828 0.037509 31O 1dyz 0.001247 0.011637 0.007867 -0.065934 -0.028605 0.078117 31O 1dx2y2 -0.021178 -0.014758 -0.009080 0.091002 0.015973 -0.120528 31O 1dxy 0.034496 -0.087255 0.057315 -0.068946 0.008272 0.111153 31O 2dz2 -0.003626 0.025383 -0.002045 0.037950 0.013635 -0.055899 31O 2dxz -0.037195 0.073202 -0.065673 -0.045381 -0.015116 0.060245 31O 2dyz -0.037383 0.098932 -0.108323 -0.001166 -0.001226 0.001892 31O 2dx2y2 -0.003187 0.017670 0.001017 -0.000945 0.006762 0.001473 31O 2dxy 0.052656 -0.069727 0.070548 -0.041237 -0.031611 0.041089 31O 1f0 0.014849 0.234941 -0.199865 0.110788 -0.004869 -0.149994 31O 1f+1 -0.023024 -0.002941 -0.029556 -0.170882 -0.093065 0.222683 31O 1f-1 0.025294 0.043343 -0.112249 -0.219479 -0.132209 0.265278 31O 1f+2 0.011805 0.038667 -0.008406 0.033878 -0.034742 -0.066948 31O 1f-2 -0.005223 -0.199040 0.176879 0.022383 0.052870 -0.027931 31O 1f+3 -0.042617 -0.022558 0.041947 0.127801 0.044940 -0.170022 31O 1f-3 0.041636 -0.063054 0.066392 0.012222 -0.005493 -0.009149 32O 1s 0.005212 -0.000171 -0.000136 0.000080 0.000475 0.000649 32O 2s 0.013559 -0.000513 -0.000264 0.000176 0.001498 0.002071 32O 3s -0.104017 0.004776 -0.000473 -0.000689 -0.016831 -0.021869 32O 4s 0.343111 -0.011375 -0.007092 0.006313 0.044440 0.047444 32O 5s -1.158191 0.020485 0.070388 -0.036949 -0.080594 -0.089389 32O 1pz 0.020039 -0.062092 -0.021164 0.002638 -0.005456 0.013395 32O 1px -0.052090 -0.021260 -0.001686 -0.000281 -0.002901 0.003201 32O 1py 0.025495 0.001996 0.007840 0.000429 -0.002959 -0.006860 32O 2pz -0.061404 0.360940 0.116916 -0.014404 0.037059 -0.079678 32O 2px 0.161165 0.126507 0.021553 -0.000606 0.017784 -0.018517 32O 2py -0.121252 -0.018119 -0.016221 -0.003116 0.009719 0.023621 32O 3pz 0.167062 -0.015879 -0.017697 0.007727 0.065543 -0.055901 32O 3px -0.486209 0.001163 0.022735 -0.015012 0.029687 0.018877 32O 3py -0.045405 -0.003689 0.048314 -0.002125 -0.061854 -0.096398 32O 1dz2 -0.144318 0.105874 0.044272 -0.009732 0.008113 0.010483 32O 1dxz -0.164534 -0.118050 -0.029377 -0.000737 0.015310 0.008234 32O 1dyz -0.021043 0.133923 0.056896 -0.006271 0.052036 -0.031236 32O 1dx2y2 0.165007 -0.045504 -0.008696 0.004843 0.015304 0.016676 32O 1dxy 0.094211 0.070295 -0.029039 0.004455 -0.013622 -0.065479 32O 2dz2 0.031866 0.038316 0.009746 0.000294 0.013507 -0.020619 32O 2dxz 0.049496 -0.035129 -0.010579 0.002569 -0.018983 0.020470 32O 2dyz 0.002795 0.096046 0.022356 -0.002836 -0.003948 -0.021288 32O 2dx2y2 -0.077304 -0.008253 -0.004961 -0.001559 -0.011341 0.002812 32O 2dxy -0.000973 0.032798 0.028699 -0.002717 0.014064 0.014688 32O 1f0 -0.027057 0.009133 0.010375 -0.001475 0.011692 -0.001357 32O 1f+1 -0.007208 0.028552 0.006048 -0.001315 -0.013554 0.005286 32O 1f-1 -0.088878 0.109794 0.046610 -0.007613 0.026024 -0.005333 32O 1f+2 -0.035500 -0.053429 -0.022794 0.001740 0.022489 -0.000948 32O 1f-2 -0.080803 -0.159853 -0.031620 0.001388 -0.021367 0.060397 32O 1f+3 -0.066731 0.046986 0.006901 -0.002560 -0.003920 0.007725 32O 1f-3 -0.003920 0.071963 0.033367 -0.002894 0.023636 -0.012098 33O 1s -0.000088 -0.000859 -0.001069 0.000309 -0.000327 0.000455 33O 2s 0.000869 -0.005830 -0.007083 0.001476 -0.001072 0.001524 33O 3s -0.056470 0.112941 0.133520 -0.026602 0.018829 -0.029276 33O 4s 0.338778 -0.236931 -0.260015 0.077338 -0.083704 0.150568 33O 5s 0.527470 -0.046868 0.005386 0.041275 -0.093395 0.188441 33O 1pz -0.003746 0.047105 0.071187 0.015871 -0.031986 0.005635 33O 1px -0.019794 -0.030205 -0.024677 0.019874 -0.016678 -0.013517 33O 1py -0.009065 0.034441 0.021161 -0.042697 0.042158 0.019807 33O 2pz 0.163347 -0.200379 -0.261449 -0.055903 0.093734 0.072517 33O 2px -0.084432 0.146195 0.123375 -0.102430 0.101796 -0.010020 33O 2py 0.064091 -0.112273 -0.074922 0.183523 -0.197217 -0.053400 33O 3pz 0.571589 -0.095518 -0.112556 0.048714 -0.052625 0.153513 33O 3px -0.560969 -0.044288 -0.030151 -0.010147 0.100136 -0.187730 33O 3py 0.153430 -0.019154 -0.122081 -0.015291 -0.056801 -0.001271 33O 1dz2 0.014468 -0.027356 0.000420 -0.171535 0.211570 0.059422 33O 1dxz -0.021542 0.052530 0.103862 -0.024413 -0.000550 0.025627 33O 1dyz -0.009778 0.027189 0.035277 0.120645 -0.152191 -0.037883 33O 1dx2y2 -0.001938 -0.058125 -0.013608 -0.034952 0.034294 0.023172 33O 1dxy -0.018905 0.055006 0.043766 -0.115045 0.120445 0.062214 33O 2dz2 0.016645 -0.029035 -0.064087 -0.024912 0.036558 0.023131 33O 2dxz -0.066735 0.101653 0.106908 0.004725 -0.014084 -0.030489 33O 2dyz 0.008837 -0.055076 -0.053775 0.036530 -0.038312 -0.007840 33O 2dx2y2 0.027584 -0.031804 -0.055381 0.035064 -0.034406 -0.008497 33O 2dxy -0.019335 0.017468 0.012906 -0.058042 0.074321 0.011647 33O 1f0 -0.012647 0.069724 0.012181 -0.218546 0.262446 0.067774 33O 1f+1 -0.012342 0.091089 0.139084 0.122751 -0.197356 -0.019077 33O 1f-1 -0.050774 -0.140471 -0.183463 0.074735 -0.051177 -0.086699 33O 1f+2 -0.000731 -0.118747 -0.182245 -0.025284 0.041865 0.023871 33O 1f-2 0.025878 0.081283 0.043898 -0.195393 0.227819 0.103332 33O 1f+3 -0.023538 -0.114761 -0.140279 -0.049766 0.070226 0.026199 33O 1f-3 -0.043975 0.003611 -0.022179 -0.100398 0.131280 0.040070 34O 1s -0.000287 0.001734 -0.001554 0.000239 0.000143 -0.000306 34O 2s 0.000029 0.009551 -0.008686 0.001132 0.000992 -0.001212 34O 3s -0.042106 -0.173610 0.157942 -0.022293 -0.010728 0.025799 34O 4s 0.287612 0.411703 -0.378543 0.081280 -0.032107 -0.123983 34O 5s 0.444894 0.115768 -0.077226 0.052433 -0.128439 -0.109512 34O 1pz -0.011909 -0.016357 0.032786 -0.033933 -0.017796 0.033568 34O 1px 0.019262 -0.066506 0.064423 -0.010698 -0.025377 -0.000251 34O 1py 0.014496 0.048948 -0.036694 -0.018797 0.003267 0.026541 34O 2pz 0.043199 0.059995 -0.098473 0.148137 0.062310 -0.154838 34O 2px 0.114656 0.341325 -0.315571 0.079755 0.039209 -0.078357 34O 2py -0.107279 -0.191401 0.153856 0.074327 0.030826 -0.088692 34O 3pz 0.019774 0.076005 -0.014082 -0.030429 0.036256 -0.025149 34O 3px 0.746853 0.030941 -0.051591 0.040320 -0.187513 -0.111244 34O 3py -0.267917 -0.062757 0.117067 -0.016086 0.040013 -0.040656 34O 1dz2 -0.001902 -0.013178 0.072067 0.084888 0.028236 -0.108094 34O 1dxz 0.010535 0.020618 -0.017422 0.140855 0.079060 -0.155266 34O 1dyz 0.020463 0.040700 -0.067588 -0.073406 -0.004520 0.087509 34O 1dx2y2 0.010921 0.098619 -0.057631 0.104587 0.066082 -0.113486 34O 1dxy -0.021068 -0.031488 0.015005 0.068827 -0.000901 -0.077848 34O 2dz2 -0.031242 -0.098425 0.066457 -0.034379 -0.015205 0.039845 34O 2dxz 0.002016 0.013373 -0.020325 0.053283 0.019665 -0.066458 34O 2dyz 0.007517 -0.026888 0.037724 -0.006910 -0.011679 0.010257 34O 2dx2y2 0.044584 0.095029 -0.102171 0.022356 0.008803 -0.022010 34O 2dxy -0.035950 -0.097704 0.089337 0.028584 0.021515 -0.037703 34O 1f0 -0.008178 -0.021460 0.039928 -0.136064 -0.098704 0.152333 34O 1f+1 0.009433 -0.208671 0.188085 0.068296 -0.009849 -0.107058 34O 1f-1 -0.008532 0.065477 -0.020311 -0.072637 -0.012577 0.093011 34O 1f+2 0.017923 -0.097618 0.058123 0.129791 0.051590 -0.155900 34O 1f-2 0.073521 -0.110899 0.128251 -0.130847 -0.108856 0.135115 34O 1f+3 0.000125 -0.121548 0.128085 -0.173428 -0.066454 0.209941 34O 1f-3 -0.000773 0.115385 -0.104503 -0.043789 0.036631 0.081814 35O 1s 0.000019 0.001260 0.001578 -0.000120 -0.000069 -0.000451 35O 2s 0.001081 0.007264 0.009110 -0.000618 -0.000147 -0.002358 35O 3s -0.053381 -0.133591 -0.168886 0.009553 0.006305 0.032266 35O 4s 0.300921 0.317435 0.395642 -0.013692 -0.058038 -0.032374 35O 5s 0.296980 0.062479 0.087981 -0.009902 -0.075166 0.172460 35O 1pz -0.018464 -0.028749 -0.044354 0.021696 -0.026416 0.007266 35O 1px 0.022167 -0.045012 -0.059877 0.017546 -0.021097 0.019750 35O 1py -0.003345 -0.053186 -0.046109 -0.030212 0.029994 0.031787 35O 2pz 0.098912 0.113984 0.158151 -0.094414 0.097506 0.006783 35O 2px 0.071662 0.230962 0.297177 -0.073965 0.048650 -0.034465 35O 2py 0.088443 0.210558 0.210189 0.134789 -0.162674 -0.096836 35O 3pz 0.240173 0.068782 0.063785 0.013923 0.039807 0.025824 35O 3px 0.676511 -0.002110 -0.030537 0.022484 -0.059635 0.207155 35O 3py 0.390653 -0.009155 0.068072 -0.012054 -0.071158 0.066217 35O 1dz2 -0.021370 -0.025951 -0.101495 -0.105138 0.119135 0.076538 35O 1dxz 0.027397 0.023603 0.019599 -0.109047 0.137326 -0.007555 35O 1dyz -0.010097 -0.050649 -0.027460 0.035790 -0.050763 0.008311 35O 1dx2y2 -0.002662 0.028314 0.011988 -0.152362 0.168800 0.061794 35O 1dxy 0.016148 0.065458 0.050585 0.068481 -0.067764 -0.064381 35O 2dz2 -0.029044 -0.056471 -0.042997 0.015776 -0.013003 -0.002593 35O 2dxz 0.027727 0.039198 0.056105 -0.032101 0.031125 0.015452 35O 2dyz 0.007888 0.051420 0.051704 -0.022356 0.024929 -0.006068 35O 2dx2y2 0.027534 0.046966 0.077933 -0.038493 0.042388 0.002602 35O 2dxy 0.044948 0.096583 0.127032 0.045009 -0.067015 -0.035021 35O 1f0 -0.005951 -0.031091 -0.011659 0.030940 -0.056801 0.021483 35O 1f+1 -0.029418 -0.097515 -0.107630 -0.110017 0.140656 0.063827 35O 1f-1 -0.005761 -0.001042 0.020562 -0.099715 0.129058 0.021030 35O 1f+2 0.046196 -0.075375 -0.058857 -0.160156 0.194202 0.065492 35O 1f-2 -0.036715 0.093062 0.135835 -0.012726 0.035495 -0.070953 35O 1f+3 0.012445 -0.015881 -0.070442 0.236904 -0.270326 -0.110088 35O 1f-3 0.001371 -0.205467 -0.251907 0.020787 -0.030753 0.080174 666 667 668 669 670 671 6.00206 6.00651 6.02013 6.02360 6.03039 6.04970 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s -0.000047 0.000055 0.000023 0.002645 0.000527 0.000350 0Rh 2s 0.000373 -0.000400 -0.000121 -0.019461 -0.003899 -0.002533 0Rh 3s -0.000062 0.000096 0.000064 0.004544 0.000890 0.000627 0Rh 4s -0.002330 0.002523 0.000766 0.122860 0.024621 0.016070 0Rh 5s 0.006359 -0.006844 -0.001706 -0.333307 -0.066968 -0.043910 0Rh 6s -0.007745 0.008126 -0.000061 0.388901 0.078625 0.051701 0Rh 7s 0.015765 -0.006378 0.038421 -0.496464 -0.086982 -0.041541 0Rh 8s -0.001644 -0.008733 -0.008089 0.143628 0.038828 0.066723 0Rh 1pz 0.002911 -0.040526 0.005861 -0.039408 -0.008176 -0.008434 0Rh 1px -0.000114 -0.014083 -0.001620 0.109396 0.025807 0.017896 0Rh 1py -0.001803 -0.001299 0.000763 0.018073 -0.000498 0.005083 0Rh 2pz -0.012123 0.169065 -0.024433 0.164441 0.034100 0.035248 0Rh 2px 0.000473 0.058753 0.006791 -0.456457 -0.107721 -0.074742 0Rh 2py 0.007528 0.005412 -0.003180 -0.075383 0.002068 -0.021236 0Rh 3pz 0.039111 -0.552553 0.079452 -0.537783 -0.111135 -0.116322 0Rh 3px -0.001528 -0.192057 -0.022983 1.491965 0.352859 0.245545 0Rh 3py -0.024774 -0.017515 0.010277 0.245709 -0.006571 0.069968 0Rh 4pz -0.049345 0.726128 -0.103170 0.705251 0.144315 0.155757 0Rh 4px 0.002133 0.252838 0.033503 -1.953424 -0.464382 -0.324985 0Rh 4py 0.033113 0.022412 -0.012913 -0.319018 0.007961 -0.093444 0Rh 5pz 0.021863 -0.413045 0.056979 -0.386554 -0.075515 -0.093155 0Rh 5px -0.001771 -0.146155 -0.028920 1.059611 0.258559 0.184912 0Rh 5py -0.019999 -0.011316 0.005573 0.164483 -0.003634 0.055622 0Rh 6pz -0.058551 0.042491 -0.044455 -0.001333 -0.005067 0.093892 0Rh 6px -0.043269 0.030225 0.043538 0.181199 -0.055828 -0.110501 0Rh 6py 0.027256 0.003983 -0.001450 0.141952 0.024257 -0.046919 0Rh 1dz2 0.001785 0.000378 0.002689 -0.000497 -0.007291 -0.001368 0Rh 1dxz -0.000850 0.001027 0.002067 -0.001653 -0.000186 0.000532 0Rh 1dyz 0.004571 0.002828 -0.001905 0.002374 -0.014839 -0.005852 0Rh 1dx2y2 0.000255 0.000780 0.002746 0.003334 -0.002291 0.000746 0Rh 1dxy 0.001630 0.000812 0.000484 0.001510 -0.005488 -0.002560 0Rh 2dz2 -0.000559 0.000150 0.000957 -0.001479 0.002563 -0.000262 0Rh 2dxz 0.000465 -0.000036 0.000160 -0.001460 -0.000306 -0.000831 0Rh 2dyz -0.001165 -0.000531 -0.000363 -0.001192 0.005159 0.002340 0Rh 2dx2y2 0.000013 -0.000007 0.000486 0.001944 0.001777 0.000116 0Rh 2dxy -0.000401 -0.000099 0.000027 0.000615 0.002294 0.001122 0Rh 3dz2 -0.006693 -0.002770 -0.018543 0.010536 0.026442 0.008652 0Rh 3dxz 0.002149 -0.005135 -0.011544 0.016923 0.002709 0.001365 0Rh 3dyz -0.018456 -0.012310 0.011638 -0.006596 0.053739 0.019854 0Rh 3dx2y2 -0.001425 -0.004014 -0.016617 -0.028658 0.003206 -0.004770 0Rh 3dxy -0.006645 -0.003789 -0.002652 -0.011596 0.017916 0.008038 0Rh 4dz2 0.014227 0.007395 0.045009 -0.039268 -0.058413 -0.023461 0Rh 4dxz -0.002742 0.011781 0.026747 -0.058619 -0.010217 -0.007952 0Rh 4dyz 0.040756 0.027876 -0.027517 0.009871 -0.115331 -0.041997 0Rh 4dx2y2 0.003614 0.009240 0.039275 0.094681 0.001888 0.014599 0Rh 4dxy 0.014625 0.008809 0.006115 0.037368 -0.035453 -0.014665 0Rh 5dz2 -0.021085 -0.017225 -0.074715 0.153229 0.083297 0.048598 0Rh 5dxz -0.005233 -0.022428 -0.041943 0.210869 0.039050 0.034971 0Rh 5dyz -0.067768 -0.053815 0.045798 0.015454 0.134424 0.044828 0Rh 5dx2y2 -0.007509 -0.015194 -0.060945 -0.324713 -0.052497 -0.044982 0Rh 5dxy -0.023032 -0.017499 -0.008977 -0.121247 0.023295 0.002375 0Rh 1f0 -0.000631 0.001211 0.001675 0.019559 0.003139 0.005074 0Rh 1f+1 0.001964 -0.002084 -0.001436 -0.015929 -0.003190 -0.002349 0Rh 1f-1 -0.002038 -0.008998 0.000157 -0.003529 -0.000143 -0.001314 0Rh 1f+2 -0.000901 0.008151 -0.000844 -0.024528 -0.006139 -0.003689 0Rh 1f-2 0.002053 0.003461 0.000698 -0.009438 -0.002185 -0.001248 0Rh 1f+3 -0.000099 -0.005229 0.000502 -0.030020 -0.006680 -0.004125 0Rh 1f-3 -0.000921 -0.001188 -0.000161 -0.017357 -0.004657 -0.003443 1Rh 1s 0.000046 0.000060 0.000005 -0.002646 -0.000525 -0.000349 1Rh 2s -0.000355 -0.000438 0.000005 0.019464 0.003889 0.002530 1Rh 3s 0.000066 0.000105 0.000035 -0.004551 -0.000888 -0.000622 1Rh 4s 0.002225 0.002765 -0.000032 -0.122884 -0.024555 -0.016048 1Rh 5s -0.006020 -0.007491 0.000453 0.333334 0.066783 0.043863 1Rh 6s 0.007042 0.008848 -0.002564 -0.388701 -0.078384 -0.051736 1Rh 7s -0.010503 -0.006627 0.041709 0.492099 0.085763 0.042522 1Rh 8s 0.002710 -0.009415 -0.008381 -0.142835 -0.037831 -0.066988 1Rh 1pz 0.000657 0.040900 -0.006447 -0.039370 -0.008658 -0.006564 1Rh 1px -0.000223 0.013863 0.002221 0.108955 0.025749 0.018544 1Rh 1py -0.002817 0.001146 -0.000850 0.018139 -0.001278 0.005009 1Rh 2pz -0.002718 -0.170625 0.026880 0.164287 0.036109 0.027440 1Rh 2px 0.000927 -0.057833 -0.009298 -0.454616 -0.107479 -0.077447 1Rh 2py 0.011760 -0.004773 0.003544 -0.075657 0.005325 -0.020930 1Rh 3pz 0.008343 0.557662 -0.087465 -0.537282 -0.117688 -0.090724 1Rh 3px -0.002938 0.189064 0.031164 1.485908 0.352079 0.254424 1Rh 3py -0.038580 0.015446 -0.011482 0.246586 -0.017242 0.069031 1Rh 4pz -0.008775 -0.732844 0.113747 0.704561 0.152850 0.121973 1Rh 4px 0.003669 -0.248934 -0.044165 -1.945233 -0.463373 -0.336740 1Rh 4py 0.051165 -0.019769 0.014572 -0.320084 0.022026 -0.092440 1Rh 5pz -0.001638 0.416783 -0.063056 -0.385937 -0.080129 -0.073750 1Rh 5px -0.001696 0.144006 0.034526 1.054098 0.257932 0.191796 1Rh 5py -0.030044 0.010035 -0.006764 0.164845 -0.011668 0.055582 1Rh 6pz -0.053066 -0.049349 0.046529 -0.003340 -0.003553 0.092063 1Rh 6px -0.048492 -0.031562 -0.040241 0.187528 -0.054202 -0.113278 1Rh 6py 0.029466 -0.003711 0.005357 0.140662 0.025267 -0.043730 1Rh 1dz2 -0.001733 0.000208 0.002697 0.000501 0.007261 0.001371 1Rh 1dxz 0.000795 0.001007 0.002069 0.001609 0.000209 -0.000603 1Rh 1dyz -0.004686 0.002677 -0.001961 -0.002328 0.014851 0.005839 1Rh 1dx2y2 -0.000216 0.000695 0.002715 -0.003363 0.002315 -0.000822 1Rh 1dxy -0.001695 0.000706 0.000456 -0.001521 0.005482 0.002621 1Rh 2dz2 0.000496 0.000202 0.000969 0.001468 -0.002557 0.000255 1Rh 2dxz -0.000480 -0.000038 0.000168 0.001470 0.000298 0.000840 1Rh 2dyz 0.001203 -0.000505 -0.000343 0.001189 -0.005164 -0.002334 1Rh 2dx2y2 -0.000050 0.000025 0.000478 -0.001949 -0.001786 -0.000100 1Rh 2dxy 0.000409 -0.000062 0.000029 -0.000614 -0.002291 -0.001146 1Rh 3dz2 0.006728 -0.002125 -0.018648 -0.010505 -0.026313 -0.008634 1Rh 3dxz -0.001792 -0.005012 -0.011604 -0.016744 -0.002793 -0.001037 1Rh 3dyz 0.018880 -0.011636 0.011835 0.006372 -0.053779 -0.019813 1Rh 3dx2y2 0.001393 -0.003730 -0.016408 0.028835 -0.003287 0.005087 1Rh 3dxy 0.006946 -0.003412 -0.002512 0.011651 -0.017907 -0.008248 1Rh 4dz2 -0.014551 0.006048 0.045344 0.039181 0.058137 0.023394 1Rh 4dxz 0.001857 0.011432 0.027016 0.058247 0.010385 0.007240 1Rh 4dyz -0.041661 0.026290 -0.027903 -0.009350 0.115418 0.041913 1Rh 4dx2y2 -0.003644 0.008727 0.038618 -0.095108 -0.001731 -0.015279 1Rh 4dxy -0.015306 0.008063 0.005742 -0.037487 0.035441 0.015070 1Rh 5dz2 0.022320 -0.015299 -0.075822 -0.153095 -0.082867 -0.048685 1Rh 5dxz 0.006959 -0.021436 -0.043230 -0.210323 -0.039231 -0.033545 1Rh 5dyz 0.069488 -0.050602 0.046186 -0.016419 -0.134426 -0.044645 1Rh 5dx2y2 0.007821 -0.014708 -0.058730 0.325324 0.052330 0.046014 1Rh 5dxy 0.024416 -0.016580 -0.008011 0.121293 -0.023320 -0.002627 1Rh 1f0 -0.000690 -0.001319 -0.001546 0.019621 0.003075 0.005000 1Rh 1f+1 0.001814 0.002207 0.001368 -0.015989 -0.003237 -0.002227 1Rh 1f-1 -0.002647 0.008957 -0.000279 -0.003556 -0.000362 -0.000898 1Rh 1f+2 -0.000487 -0.008128 0.000693 -0.024541 -0.006135 -0.004091 1Rh 1f-2 0.002039 -0.003313 -0.000742 -0.009454 -0.002334 -0.001234 1Rh 1f+3 -0.000223 0.005324 -0.000709 -0.030092 -0.006660 -0.003908 1Rh 1f-3 -0.001020 0.001095 0.000046 -0.017371 -0.004716 -0.003411 2C 1s 0.000124 -0.000445 0.000654 -0.000538 -0.000770 -0.000152 2C 2s 0.000285 -0.000627 0.000301 -0.000713 -0.000575 -0.000208 2C 3s -0.006728 0.001378 0.017573 -0.006407 -0.032551 -0.002123 2C 4s 0.006097 -0.060882 -0.053025 0.018290 0.110632 -0.013290 2C 5s -0.006256 0.067671 0.192846 0.173928 -0.129937 0.050132 2C 1pz -0.001524 0.005901 0.003818 0.004766 0.006583 0.008782 2C 1px 0.000785 -0.015222 0.006046 -0.020842 -0.031945 -0.013583 2C 1py -0.000590 -0.002944 -0.015085 -0.002856 -0.003115 -0.009934 2C 2pz -0.011955 -0.140287 -0.003402 -0.098662 -0.116362 -0.131765 2C 2px -0.013516 0.171836 -0.054216 0.203711 0.308384 0.121674 2C 2py -0.009667 -0.020927 0.135428 0.004687 -0.009161 0.092861 2C 3pz 0.008931 0.031002 0.042618 0.023287 0.001358 -0.034222 2C 3px 0.010700 -0.039945 0.021158 0.034647 -0.021226 0.018513 2C 3py 0.001134 -0.003246 -0.008236 0.019465 -0.034190 0.068865 2C 1dz2 -0.000492 -0.001332 0.025388 0.003328 0.014838 0.014369 2C 1dxz 0.000245 0.000993 0.019669 -0.016704 -0.038689 -0.015656 2C 1dyz -0.000794 0.000439 -0.013148 0.003419 0.009391 -0.002482 2C 1dx2y2 0.001372 0.007460 0.019471 0.003067 0.008583 0.005508 2C 1dxy 0.000413 0.000034 -0.009111 -0.010665 -0.027913 -0.010892 2C 2dz2 0.001081 -0.051750 0.011292 -0.058874 -0.039565 -0.094657 2C 2dxz 0.000335 0.008875 0.037660 0.033343 -0.031084 0.046949 2C 2dyz -0.007457 -0.005804 0.022442 0.003208 0.024742 0.061768 2C 2dx2y2 0.001453 0.055209 -0.019522 0.066300 0.115470 0.071102 2C 2dxy -0.005211 0.026039 -0.039513 0.050623 0.053618 -0.061135 2C 1f0 0.000435 0.005327 0.031976 0.001537 0.049058 -0.013709 2C 1f+1 0.000355 0.008784 0.009146 -0.001242 -0.029238 0.035569 2C 1f-1 0.001516 -0.008159 -0.009591 -0.007917 -0.004543 0.028989 2C 1f+2 0.001807 -0.009377 0.019161 -0.009402 -0.044757 0.015847 2C 1f-2 0.001419 0.012439 -0.015689 0.013655 -0.009054 -0.043562 2C 1f+3 -0.000072 0.000708 0.039937 -0.001326 -0.009717 -0.059779 2C 1f-3 -0.004068 -0.001023 -0.032315 0.003787 0.018058 -0.013967 3C 1s -0.000022 -0.000339 -0.001051 -0.000625 0.000470 0.000249 3C 2s 0.000196 -0.000183 -0.000367 -0.000738 0.000164 0.000148 3C 3s -0.004086 -0.010236 -0.032386 -0.006034 0.030651 0.011742 3C 4s -0.014244 0.075204 0.098679 0.008822 -0.115771 -0.041983 3C 5s -0.066432 -0.033282 -0.276091 0.007782 0.145909 0.052023 3C 1pz 0.000775 0.003655 0.016365 0.011092 -0.009542 -0.002027 3C 1px 0.000620 -0.009200 0.005458 -0.027032 0.020611 0.011267 3C 1py 0.000316 0.000124 0.004754 -0.004089 0.001140 0.001782 3C 2pz -0.027016 -0.033039 -0.162279 -0.144951 0.112177 0.026770 3C 2px -0.016399 0.117558 -0.054795 0.257679 -0.195026 -0.116131 3C 2py 0.020465 -0.001274 -0.004077 0.100556 -0.032684 -0.032112 3C 3pz -0.001538 0.009523 0.003643 -0.018831 0.008926 0.002565 3C 3px 0.000107 -0.028047 0.004921 0.007965 0.056797 0.013682 3C 3py 0.009751 0.005662 0.052984 -0.002546 0.001694 -0.000088 3C 1dz2 0.001311 0.001842 0.019122 0.011099 -0.013658 -0.004095 3C 1dxz 0.002026 -0.002478 0.017721 -0.021447 0.024408 0.012497 3C 1dyz -0.001974 -0.001122 -0.020391 -0.013359 0.019664 0.007864 3C 1dx2y2 0.003784 0.005843 0.027735 -0.007376 0.010479 0.008833 3C 1dxy 0.000758 -0.001976 0.007253 0.020149 -0.023244 -0.012074 3C 2dz2 0.001347 -0.014698 -0.034162 -0.039708 0.032083 -0.004379 3C 2dxz 0.000800 -0.002582 -0.008113 -0.049062 0.063644 0.050094 3C 2dyz 0.000486 0.002842 0.000248 0.016660 0.031298 0.016662 3C 2dx2y2 0.014477 0.023550 0.056745 0.091064 -0.047322 -0.017989 3C 2dxy 0.010481 -0.035157 0.044988 -0.062433 -0.001310 0.022798 3C 1f0 0.003450 0.003222 0.031727 -0.002120 0.004645 -0.004489 3C 1f+1 0.005638 0.004691 0.037213 0.019191 -0.033484 -0.003582 3C 1f-1 -0.005002 0.004182 -0.018262 0.009484 -0.000117 0.003997 3C 1f+2 -0.006411 -0.001215 -0.044314 -0.003724 0.025855 0.016626 3C 1f-2 -0.002220 -0.010874 -0.020590 -0.019445 0.017575 -0.002199 3C 1f+3 0.001109 0.001093 0.013674 -0.023036 0.048669 0.012906 3C 1f-3 0.004727 0.006902 0.031485 -0.009420 0.039886 0.023330 4C 1s -0.001117 0.001017 -0.000804 0.001612 0.000943 0.001247 4C 2s -0.002047 0.000846 -0.001377 0.002497 0.001103 0.001835 4C 3s 0.050821 0.051174 -0.004139 -0.001261 0.051719 0.004871 4C 4s -0.191485 -0.254105 0.024067 -0.034664 -0.235125 -0.061071 4C 5s -0.091402 -0.092395 -0.075752 -0.022367 0.037194 -0.020102 4C 1pz 0.000859 0.041533 0.000807 0.041401 0.093185 0.029616 4C 1px 0.020371 -0.097179 0.005371 -0.142327 -0.280938 -0.103370 4C 1py 0.008267 -0.013192 -0.007837 -0.028124 -0.052065 -0.012728 4C 2pz -0.034147 -0.069308 0.180494 0.174110 0.352019 0.114088 4C 2px -0.069420 -0.290935 0.083822 -0.747716 -1.376886 -0.454482 4C 2py -0.055620 -0.176629 -0.167292 -0.145452 -0.285389 -0.163152 4C 3pz 0.000305 -0.005379 0.048927 0.166827 -0.072707 0.042980 4C 3px -0.016780 -0.019205 -0.029121 -0.208180 -0.004630 -0.011230 4C 3py 0.009957 -0.000078 0.095123 0.025049 -0.029172 -0.012075 4C 1dz2 -0.006308 0.071801 0.089976 0.089408 0.185343 -0.002899 4C 1dxz 0.005358 -0.111766 0.026925 -0.149478 -0.314407 0.012496 4C 1dyz -0.003222 -0.018179 -0.055553 0.001721 -0.022015 0.091432 4C 1dx2y2 0.007965 -0.014192 0.045408 -0.037537 -0.068190 0.118332 4C 1dxy 0.004067 -0.071601 0.037497 -0.100772 -0.149020 -0.289811 4C 2dz2 0.041506 -0.010639 0.009321 0.014608 0.142333 -0.003559 4C 2dxz 0.000537 0.163855 -0.032504 0.021875 -0.109650 0.000543 4C 2dyz 0.004791 0.021549 -0.018975 0.005342 -0.008559 0.032599 4C 2dx2y2 -0.039724 -0.073507 0.025609 -0.031718 -0.091125 -0.038467 4C 2dxy -0.035090 0.063531 0.008603 -0.002790 -0.134456 -0.044764 4C 1f0 -0.000714 0.001403 -0.030558 -0.003965 -0.026214 -0.193415 4C 1f+1 0.000395 0.001561 -0.158157 0.013659 0.019394 0.184859 4C 1f-1 0.002373 0.022418 0.001619 0.016817 0.011406 0.128112 4C 1f+2 -0.000856 0.028290 0.041642 0.042854 0.106431 0.139211 4C 1f-2 0.000654 -0.006225 0.178678 -0.025851 0.040275 -0.112177 4C 1f+3 -0.009148 0.035768 -0.149621 0.089186 0.235900 -0.170187 4C 1f-3 0.013484 0.085849 0.195581 0.043111 0.147929 0.002045 5C 1s -0.001233 -0.001002 0.000411 0.000420 -0.001825 0.000505 5C 2s -0.002256 -0.000586 0.000583 0.000876 -0.003028 0.000928 5C 3s 0.053574 -0.038546 0.019157 0.014358 -0.012067 -0.032887 5C 4s -0.193713 0.212536 -0.088317 -0.061295 0.131051 0.114088 5C 5s -0.067451 0.091841 0.098633 -0.039893 -0.098149 0.037072 5C 1pz 0.007689 0.018873 0.004784 0.071801 -0.069384 -0.034594 5C 1px -0.001864 -0.067662 0.018630 -0.223744 0.230559 0.097962 5C 1py -0.010211 -0.006386 0.002270 -0.043088 0.038297 0.022279 5C 2pz -0.064933 0.135556 0.150152 0.341740 -0.371069 -0.142928 5C 2px 0.119517 -0.132079 0.086195 -1.146979 1.124021 0.528721 5C 2py 0.120408 -0.116091 0.236584 -0.125452 0.160229 0.078989 5C 3pz -0.050519 0.000957 -0.102001 0.055192 0.039919 0.037547 5C 3px 0.008994 -0.011752 -0.046894 -0.208465 -0.083776 -0.023918 5C 3py 0.035966 -0.011717 0.036803 -0.000674 -0.041599 -0.054047 5C 1dz2 0.005372 0.032218 0.096526 0.060616 -0.050731 -0.040565 5C 1dxz 0.001016 -0.041932 0.023501 -0.064216 0.030734 0.073585 5C 1dyz 0.001058 -0.045598 -0.035433 -0.109893 0.107186 0.044668 5C 1dx2y2 0.021339 -0.034444 0.073652 -0.131615 0.134042 0.060071 5C 1dxy -0.005591 0.064353 -0.022846 0.259297 -0.282276 -0.095309 5C 2dz2 0.018733 -0.045903 0.033289 0.028381 -0.070419 -0.044851 5C 2dxz 0.051902 0.012895 0.033127 0.017902 0.043355 0.021423 5C 2dyz 0.011841 0.034373 -0.012834 -0.021866 0.065057 0.021524 5C 2dx2y2 -0.022397 0.093029 -0.036444 -0.081403 0.138287 0.068413 5C 2dxy -0.055961 -0.054528 -0.039359 0.041195 -0.171682 -0.064908 5C 1f0 0.001585 -0.042110 -0.071041 -0.127944 0.178820 0.030699 5C 1f+1 -0.033411 -0.006696 -0.236810 0.103045 -0.136184 -0.040578 5C 1f-1 -0.007697 -0.017916 -0.088946 0.001416 -0.024639 0.007298 5C 1f+2 0.019957 0.032287 0.171896 0.098115 -0.151558 -0.035023 5C 1f-2 -0.016101 0.045102 -0.020232 0.054361 -0.029231 -0.042833 5C 1f+3 0.003192 0.009047 0.033029 0.048291 -0.063862 -0.083752 5C 1f-3 -0.031593 -0.003034 -0.190101 0.004738 -0.021749 -0.035388 6C 1s 0.001277 -0.000911 0.000403 -0.000429 0.001821 -0.000565 6C 2s 0.002268 -0.000421 0.000568 -0.000879 0.003029 -0.001015 6C 3s -0.050989 -0.041439 0.018239 -0.015892 0.012215 0.032579 6C 4s 0.179033 0.222111 -0.084447 0.069071 -0.131061 -0.110122 6C 5s 0.060907 0.098675 0.095899 0.042577 0.098061 -0.037039 6C 1pz 0.007856 -0.018774 -0.004228 0.072295 -0.069327 -0.034549 6C 1px -0.002546 0.068704 -0.020330 -0.224253 0.230090 0.097025 6C 1py -0.009919 0.005841 -0.002714 -0.043449 0.038235 0.022166 6C 2pz -0.058658 -0.142776 -0.148341 0.341273 -0.369316 -0.137092 6C 2px 0.121476 0.141559 -0.092754 -1.149518 1.118638 0.515566 6C 2py 0.116215 0.122551 -0.235023 -0.118864 0.158453 0.079207 6C 3pz -0.051811 -0.002057 0.101516 0.054218 0.040088 0.037393 6C 3px 0.007874 0.012408 0.045170 -0.209075 -0.082079 -0.025271 6C 3py 0.036972 0.012697 -0.034637 0.000016 -0.042725 -0.052873 6C 1dz2 -0.007067 0.033088 0.096260 -0.062188 0.050989 0.044030 6C 1dxz -0.000086 -0.041853 0.023047 0.065098 -0.031300 -0.081728 6C 1dyz 0.000312 -0.046533 -0.034643 0.110401 -0.107095 -0.043787 6C 1dx2y2 -0.021663 -0.035725 0.074224 0.131216 -0.133698 -0.060406 6C 1dxy 0.005728 0.065693 -0.025299 -0.259530 0.281439 0.088689 6C 2dz2 -0.017220 -0.046092 0.032797 -0.029612 0.069951 0.043294 6C 2dxz -0.050608 0.009980 0.031752 -0.020335 -0.041822 -0.018738 6C 2dyz -0.012694 0.033724 -0.012936 0.022149 -0.063608 -0.019331 6C 2dx2y2 0.017884 0.094230 -0.035022 0.084383 -0.137174 -0.063537 6C 2dxy 0.055972 -0.051382 -0.038748 -0.038257 0.168349 0.057880 6C 1f0 0.000278 0.043729 0.069133 -0.128286 0.177886 0.023319 6C 1f+1 -0.037026 0.006630 0.237647 0.100807 -0.135087 -0.035427 6C 1f-1 -0.009055 0.018170 0.089036 0.000158 -0.024000 0.010744 6C 1f+2 0.022333 -0.033422 -0.170286 0.099659 -0.150782 -0.029745 6C 1f-2 -0.014977 -0.045900 0.019933 0.054535 -0.029638 -0.047731 6C 1f+3 0.003244 -0.009350 -0.033233 0.049758 -0.064133 -0.089888 6C 1f-3 -0.033148 0.002965 0.189297 0.002936 -0.021589 -0.037855 7C 1s 0.001091 0.001110 -0.000830 -0.001607 -0.000956 -0.001269 7C 2s 0.002011 0.001003 -0.001420 -0.002485 -0.001121 -0.001866 7C 3s -0.051725 0.048883 -0.003658 0.000884 -0.052580 -0.005218 7C 4s 0.194112 -0.246934 0.024891 0.036800 0.238535 0.062506 7C 5s 0.092918 -0.089083 -0.074247 0.024737 -0.037301 0.016116 7C 1pz 0.003566 -0.041383 -0.001137 0.041520 0.093612 0.030486 7C 1px 0.013066 0.098181 -0.006745 -0.142797 -0.282128 -0.106418 7C 1py 0.006889 0.013536 0.007178 -0.028259 -0.052087 -0.013210 7C 2pz -0.029340 0.070178 -0.171812 0.174167 0.348847 0.124535 7C 2px -0.087902 0.284205 -0.091458 -0.747220 -1.375619 -0.486039 7C 2py -0.065880 0.173654 0.169506 -0.146858 -0.287128 -0.170622 7C 3pz 0.000298 0.001751 -0.041122 0.171059 -0.072893 0.039937 7C 3px -0.018036 0.017602 0.028868 -0.209118 -0.004581 -0.008320 7C 3py 0.011534 -0.001194 -0.090897 0.028056 -0.029728 -0.013108 7C 1dz2 -0.000170 0.071483 0.088994 -0.089870 -0.185035 0.000670 7C 1dxz 0.002093 -0.111295 0.027593 0.149453 0.314344 -0.009918 7C 1dyz 0.004497 -0.017574 -0.055643 -0.001632 0.020752 -0.090817 7C 1dx2y2 -0.008012 -0.014500 0.046031 0.036942 0.066304 -0.117726 7C 1dxy 0.001006 -0.072483 0.039295 0.101478 0.153149 0.290836 7C 2dz2 -0.038725 -0.013114 0.010913 -0.014585 -0.140433 -0.003612 7C 2dxz -0.008978 0.165199 -0.030152 -0.023419 0.103647 0.011724 7C 2dyz -0.004195 0.021551 -0.017458 -0.005910 0.007586 -0.032881 7C 2dx2y2 0.040494 -0.072542 0.023580 0.032219 0.092127 0.040813 7C 2dxy 0.029547 0.065875 0.008929 0.002585 0.132889 0.054446 7C 1f0 -0.001954 -0.001263 0.030057 -0.004519 -0.027998 -0.194729 7C 1f+1 -0.002314 -0.002577 0.158768 0.013070 0.021000 0.185816 7C 1f-1 0.003994 -0.022554 -0.001112 0.017169 0.013304 0.127302 7C 1f+2 0.002831 -0.028127 -0.041081 0.043301 0.107723 0.140974 7C 1f-2 0.002720 0.007235 -0.178805 -0.025088 0.038054 -0.108519 7C 1f+3 -0.008872 -0.035949 0.149948 0.088108 0.233519 -0.166607 7C 1f-3 0.021628 -0.084068 -0.195405 0.044197 0.148290 0.004225 8C 1s 0.000036 -0.000355 -0.001023 0.000647 -0.000479 -0.000244 8C 2s -0.000191 -0.000202 -0.000360 0.000758 -0.000171 -0.000141 8C 3s 0.004503 -0.010786 -0.031214 0.006251 -0.030918 -0.011605 8C 4s 0.010335 0.079439 0.094717 -0.007422 0.116552 0.041205 8C 5s 0.071272 -0.034044 -0.268399 -0.007471 -0.147090 -0.049597 8C 1pz 0.000972 -0.003760 -0.016169 0.011322 -0.009586 -0.001783 8C 1px 0.000568 0.009330 -0.005598 -0.027177 0.020733 0.011529 8C 1py 0.000394 -0.000157 -0.004784 -0.004064 0.001129 0.001915 8C 2pz -0.027584 0.033018 0.159360 -0.148951 0.113366 0.024478 8C 2px -0.014661 -0.119426 0.055764 0.257844 -0.196226 -0.119033 8C 2py 0.018705 0.002885 0.005440 0.103551 -0.033416 -0.034544 8C 3pz -0.001481 -0.009547 -0.004721 -0.018897 0.009569 0.001133 8C 3px -0.000344 0.028541 -0.005336 0.008670 0.056378 0.011789 8C 3py 0.011044 -0.005981 -0.052312 -0.002503 0.001473 -0.001120 8C 1dz2 -0.001592 0.001921 0.018951 -0.011152 0.013438 0.003640 8C 1dxz -0.002219 -0.002510 0.018063 0.021322 -0.024207 -0.012379 8C 1dyz 0.002151 -0.001316 -0.020128 0.013622 -0.019698 -0.007511 8C 1dx2y2 -0.004191 0.005827 0.027527 0.007012 -0.010270 -0.008775 8C 1dxy -0.000764 -0.001805 0.007163 -0.020484 0.023316 0.011846 8C 2dz2 -0.000808 -0.015514 -0.033355 0.041552 -0.033760 0.005890 8C 2dxz -0.001269 -0.002627 -0.006584 0.049433 -0.063283 -0.050725 8C 2dyz -0.000308 0.002205 0.000234 -0.016643 -0.031623 -0.016289 8C 2dx2y2 -0.014684 0.023891 0.054744 -0.093809 0.048902 0.019344 8C 2dxy -0.009994 -0.035262 0.045036 0.061091 0.001703 -0.025977 8C 1f0 0.003856 -0.003387 -0.031750 -0.001338 0.004023 -0.005981 8C 1f+1 0.005988 -0.004860 -0.036218 0.019302 -0.033142 -0.001620 8C 1f-1 -0.005193 -0.004225 0.018588 0.009129 0.000120 0.004578 8C 1f+2 -0.006786 0.001422 0.043735 -0.004380 0.025967 0.016961 8C 1f-2 -0.002492 0.011177 0.019963 -0.019709 0.017726 -0.003357 8C 1f+3 0.001309 -0.000973 -0.013839 -0.022732 0.048029 0.010659 8C 1f-3 0.005285 -0.006776 -0.031513 -0.009302 0.039834 0.022937 9C 1s -0.000098 -0.000462 0.000601 0.000544 0.000787 0.000159 9C 2s -0.000246 -0.000648 0.000266 0.000726 0.000591 0.000208 9C 3s 0.006799 0.001263 0.017389 0.006296 0.032960 0.002850 9C 4s -0.005654 -0.059711 -0.054545 -0.017726 -0.111294 0.010377 9C 5s 0.001299 0.071851 0.180305 -0.181618 0.130097 -0.042636 9C 1pz -0.001107 -0.005966 -0.004181 0.004755 0.006681 0.008913 9C 1px -0.000252 0.015300 -0.006237 -0.020903 -0.032345 -0.013446 9C 1py -0.000980 0.002965 0.014723 -0.003035 -0.003286 -0.010025 9C 2pz -0.019053 0.140451 0.008613 -0.099355 -0.119708 -0.132899 9C 2px -0.001473 -0.172957 0.056188 0.204048 0.312754 0.118927 9C 2py -0.007653 0.020722 -0.130048 0.004955 -0.009256 0.093352 9C 3pz 0.010905 -0.031452 -0.040831 0.024539 0.001041 -0.035129 9C 3px 0.007822 0.040067 -0.021129 0.035687 -0.020738 0.015292 9C 3py 0.000888 0.002363 0.009499 0.020287 -0.033546 0.068517 9C 1dz2 0.000195 -0.001347 0.025210 -0.003498 -0.014812 -0.014921 9C 1dxz -0.000484 0.000720 0.019655 0.016803 0.039024 0.016354 9C 1dyz 0.000902 0.000472 -0.012865 -0.003254 -0.009236 0.002385 9C 1dx2y2 -0.002188 0.007364 0.019844 -0.003181 -0.008675 -0.005811 9C 1dxy -0.000229 0.000293 -0.008975 0.010561 0.027462 0.011328 9C 2dz2 0.001691 -0.051786 0.009452 0.058855 0.040634 0.094203 9C 2dxz -0.002072 0.007971 0.035609 -0.032529 0.032672 -0.042744 9C 2dyz 0.006846 -0.006020 0.021320 -0.002644 -0.024119 -0.062218 9C 2dx2y2 -0.005040 0.055413 -0.017091 -0.066123 -0.116381 -0.072305 9C 2dxy 0.003808 0.027733 -0.039628 -0.052935 -0.058000 0.061025 9C 1f0 0.001458 -0.005152 -0.032548 0.001607 0.048403 -0.012636 9C 1f+1 0.001194 -0.008992 -0.009384 -0.001053 -0.027988 0.035664 9C 1f-1 0.000857 0.008076 0.009153 -0.007958 -0.004056 0.028941 9C 1f+2 0.001376 0.009690 -0.018307 -0.009362 -0.044794 0.015064 9C 1f-2 0.001980 -0.012317 0.015053 0.013288 -0.009959 -0.043617 9C 1f+3 0.000493 -0.000279 -0.039512 -0.001305 -0.011125 -0.060090 9C 1f-3 -0.004688 0.000869 0.031485 0.003376 0.017652 -0.014088 10H 1s 0.004246 -0.020932 0.025772 -0.019370 -0.065017 -0.015500 10H 2s -0.005655 -0.115056 0.048363 -0.135334 -0.240035 -0.111687 10H 3s 0.006341 0.042780 -0.030839 0.007975 0.062877 -0.004422 10H 1pz -0.000067 -0.027364 0.020897 -0.043021 -0.071320 -0.044515 10H 1px 0.000427 0.026775 -0.015221 0.027572 0.061818 0.013595 10H 1py -0.000156 -0.015204 0.000927 -0.022343 -0.039455 -0.015427 11H 1s -0.002865 0.003389 -0.013335 0.005756 0.008347 0.010439 11H 2s -0.008107 0.009261 -0.067460 0.009959 0.069153 -0.069112 11H 3s 0.012859 -0.020172 -0.000500 -0.020003 0.005888 -0.023980 11H 1pz -0.001952 0.000705 -0.028390 0.006576 0.021006 -0.035078 11H 1px -0.002454 0.004916 -0.009623 0.005690 0.015558 0.003071 11H 1py 0.001968 0.005256 0.008769 0.006352 0.011364 -0.012410 12H 1s -0.001105 0.011105 0.042277 0.007819 0.023612 -0.000122 12H 2s -0.001994 0.022024 0.063674 0.024674 0.047755 0.141837 12H 3s 0.007627 -0.033854 -0.036097 -0.032283 -0.014810 0.019144 12H 1pz 0.000862 0.005170 -0.002081 0.005011 -0.002390 0.051347 12H 1px -0.001603 0.006484 0.003762 0.008806 0.016749 0.016059 12H 1py -0.000513 0.009118 0.041880 0.009962 0.016964 0.046675 13H 1s -0.004940 -0.012390 -0.035826 -0.037465 0.057848 0.022736 13H 2s -0.003819 -0.053713 -0.058945 -0.184932 0.169180 0.094250 13H 3s 0.004155 0.027494 0.039576 0.032542 -0.064830 -0.026327 13H 1pz -0.000825 -0.017380 -0.018416 -0.056433 0.055530 0.026139 13H 1px 0.001826 0.007343 0.018368 0.027642 -0.034857 -0.014920 13H 1py 0.001439 0.016428 0.019880 0.046283 -0.036900 -0.022848 14H 1s -0.006563 0.000576 -0.055450 0.019384 -0.021699 -0.012721 14H 2s -0.014560 0.017305 -0.085819 0.056702 -0.045314 -0.062002 14H 3s 0.016422 -0.013192 0.057522 -0.033198 0.012755 0.012426 14H 1pz -0.005094 0.002766 -0.038072 0.012202 -0.006256 -0.012688 14H 1px -0.005118 0.003811 -0.036476 0.024321 -0.020475 -0.018953 14H 1py -0.001338 -0.002093 -0.001469 -0.005501 -0.004925 0.008705 15H 1s -0.000049 0.000986 0.003966 0.004448 -0.002054 -0.001895 15H 2s 0.014641 0.002775 0.073534 0.022790 -0.052844 0.000908 15H 3s 0.010273 -0.007899 0.017470 -0.005518 -0.013766 -0.008936 15H 1pz -0.000692 0.000882 -0.005642 0.004695 -0.003456 0.000024 15H 1px -0.000202 0.001254 0.000470 0.010589 -0.009447 -0.005443 15H 1py -0.004684 -0.001587 -0.029463 -0.009531 0.016537 -0.002751 16H 1s 0.413892 0.394623 -0.039957 -0.002883 -0.003692 -0.007452 16H 2s 0.355026 0.351077 -0.031323 -0.059893 0.008516 -0.010153 16H 3s -0.089544 -0.079895 0.006950 0.001498 0.015036 0.007116 16H 1pz 0.466819 0.450314 -0.047340 -0.018670 0.003458 -0.006954 16H 1px -0.018587 -0.019535 0.004051 -0.000483 -0.003587 -0.001358 16H 1py 0.186986 0.181934 -0.014585 -0.000412 0.005320 0.000105 17H 1s -0.411113 -0.397154 0.029392 -0.024241 -0.005061 -0.000321 17H 2s -0.345469 -0.336782 0.035538 -0.074583 -0.033283 -0.013081 17H 3s 0.089264 0.079410 -0.011526 0.007920 -0.005033 -0.005890 17H 1pz 0.304126 0.293761 -0.021951 0.029310 0.007949 0.001033 17H 1px 0.296863 0.289589 -0.024516 0.028824 0.011708 0.006617 17H 1py -0.254006 -0.248144 0.021938 -0.015111 -0.008755 0.000881 18H 1s 0.428759 -0.378448 0.035046 0.021969 0.005931 0.000242 18H 2s 0.358267 -0.319346 0.041718 0.072177 0.032827 0.012530 18H 3s -0.093314 0.075536 -0.013358 -0.007127 0.004413 0.006185 18H 1pz 0.324020 -0.286135 0.027154 0.027818 0.008590 0.001032 18H 1px 0.309430 -0.275996 0.029191 0.027220 0.012128 0.006265 18H 1py -0.255072 0.227698 -0.024827 -0.012843 -0.008755 0.001455 19H 1s -0.429599 0.375034 -0.045270 0.004646 0.003497 0.007392 19H 2s -0.370356 0.334691 -0.036571 0.061383 -0.009745 0.011954 19H 3s 0.092424 -0.075615 0.008666 -0.001622 -0.014760 -0.007720 19H 1pz 0.480632 -0.424271 0.053191 -0.020708 0.004005 -0.007398 19H 1px -0.023184 0.022148 -0.004873 -0.000262 -0.003856 -0.001386 19H 1py 0.205107 -0.182562 0.018352 -0.001713 0.005554 -0.000308 20H 1s -0.000121 0.001108 0.004496 -0.004743 0.002256 0.002094 20H 2s -0.014989 0.003053 0.072616 -0.024222 0.053958 -0.003356 20H 3s -0.010214 -0.008539 0.016540 0.005629 0.013621 0.007906 20H 1pz -0.000798 -0.000864 0.005944 0.004767 -0.003477 0.000412 20H 1px -0.000277 -0.001272 -0.000339 0.010770 -0.009671 -0.005307 20H 1py -0.004926 0.001672 0.029336 -0.010146 0.016906 -0.003904 21H 1s 0.007156 0.000463 -0.054943 -0.018730 0.021237 0.012256 21H 2s 0.014733 0.016995 -0.085006 -0.054693 0.044265 0.064794 21H 3s -0.016832 -0.013485 0.056730 0.032540 -0.012573 -0.011144 21H 1pz -0.005397 -0.002572 0.038115 0.011589 -0.005936 -0.013701 21H 1px -0.005309 -0.003738 0.035861 0.023644 -0.020045 -0.019255 21H 1py -0.001377 0.001985 0.001633 -0.005604 -0.004838 0.010340 22H 1s 0.005252 -0.012741 -0.034517 0.038026 -0.057915 -0.022110 22H 2s 0.004442 -0.055173 -0.056023 0.187913 -0.170734 -0.094626 22H 3s -0.004780 0.028141 0.038141 -0.032726 0.064918 0.025208 22H 1pz -0.001050 0.017755 0.017025 -0.056919 0.055588 0.025911 22H 1px 0.001946 -0.007666 -0.017839 0.028192 -0.035076 -0.014451 22H 1py 0.001855 -0.016888 -0.019323 0.047304 -0.037656 -0.023649 23H 1s -0.000201 0.010791 0.041129 -0.008030 -0.022964 -0.000143 23H 2s -0.000766 0.021266 0.062397 -0.023241 -0.046601 -0.141991 23H 3s -0.005145 -0.033893 -0.034530 0.032703 0.013983 -0.019761 23H 1pz 0.001189 -0.005095 0.002029 0.004873 -0.001995 0.050648 23H 1px -0.001133 -0.006381 -0.002904 0.008618 0.016516 0.015747 23H 1py 0.000770 -0.008738 -0.041273 0.009656 0.016397 0.047018 24H 1s 0.002843 0.003514 -0.014336 -0.005962 -0.008844 -0.010689 24H 2s 0.008547 0.009943 -0.066684 -0.010367 -0.070976 0.069498 24H 3s -0.011084 -0.021335 0.000813 0.020580 -0.005032 0.023819 24H 1pz -0.002364 -0.000972 0.028505 0.006853 0.021485 -0.035460 24H 1px -0.002308 -0.005026 0.009866 0.005765 0.016094 0.002972 24H 1py 0.002335 -0.005290 -0.008978 0.006535 0.011658 -0.012948 25H 1s -0.003011 -0.021402 0.024113 0.019124 0.065482 0.017048 25H 2s 0.012883 -0.116020 0.046390 0.136192 0.243976 0.112774 25H 3s -0.009097 0.042516 -0.029640 -0.007053 -0.063330 0.002271 25H 1pz -0.001841 0.027948 -0.020477 -0.043439 -0.073011 -0.044496 25H 1px 0.002093 -0.026990 0.014144 0.027518 0.062276 0.014855 25H 1py -0.001287 0.014955 -0.000250 -0.022218 -0.039395 -0.014997 26O 1s 0.000634 0.000945 0.000079 0.003684 0.004975 0.001709 26O 2s 0.002026 0.005198 -0.000013 0.013948 0.021335 0.007379 26O 3s -0.026291 -0.099379 0.006010 -0.189417 -0.335652 -0.116499 26O 4s 0.086143 0.264953 -0.028131 0.422562 0.931369 0.308992 26O 5s 0.119604 0.186199 -0.019105 0.430757 0.531296 0.187479 26O 1pz -0.005073 0.016368 0.016010 0.001381 0.034202 0.042777 26O 1px -0.005236 0.021123 0.009827 0.067990 0.110504 0.059602 26O 1py -0.008455 0.021170 -0.034765 0.036991 0.084321 -0.017741 26O 2pz 0.012434 -0.067375 -0.064905 -0.051000 -0.201635 -0.189631 26O 2px -0.018474 -0.165459 -0.026586 -0.331076 -0.668199 -0.307329 26O 2py 0.014127 -0.106770 0.144677 -0.195456 -0.456283 0.019322 26O 3pz -0.023132 -0.073939 -0.019570 -0.093817 0.025142 0.030957 26O 3px -0.078920 -0.107970 -0.012015 -0.147871 -0.215301 -0.036193 26O 3py -0.056544 -0.068410 -0.007376 -0.114945 -0.063742 -0.040399 26O 1dz2 0.002476 -0.022026 0.067403 0.018105 -0.015939 -0.055132 26O 1dxz 0.007295 0.024435 0.067247 -0.086153 -0.049274 0.116820 26O 1dyz -0.003054 -0.040189 -0.014543 0.073003 0.018424 0.107216 26O 1dx2y2 0.006748 0.030692 0.090723 0.053112 0.031849 0.182574 26O 1dxy -0.004318 0.031244 -0.047207 0.055379 0.152877 -0.182695 26O 2dz2 -0.001805 -0.036996 0.006084 -0.081145 -0.130421 -0.030427 26O 2dxz 0.002129 0.025418 0.030509 0.072284 0.105789 0.062656 26O 2dyz 0.005356 0.035300 0.006588 -0.006687 0.038615 0.003696 26O 2dx2y2 0.005391 0.046031 0.036725 0.042508 0.102480 0.067949 26O 2dxy 0.003307 0.062723 -0.053667 0.102390 0.191960 0.050400 26O 1f0 -0.003068 0.005120 -0.001637 0.040423 0.024044 0.198427 26O 1f+1 -0.015396 0.040547 -0.133953 0.049516 0.122717 0.109210 26O 1f-1 -0.008706 -0.016304 -0.088652 0.069829 0.095485 -0.050918 26O 1f+2 -0.001220 0.029432 -0.170807 0.006768 -0.016695 -0.095634 26O 1f-2 0.004396 -0.043966 0.008815 -0.087204 -0.082637 -0.144539 26O 1f+3 0.006318 0.041264 0.190472 -0.017802 -0.044204 0.328685 26O 1f-3 -0.020100 0.113750 0.024922 0.156058 0.326268 -0.086187 27O 1s -0.000306 0.000503 -0.000178 0.005262 -0.003936 -0.001878 27O 2s -0.001241 0.002511 -0.000747 0.020382 -0.017274 -0.008091 27O 3s 0.016279 -0.037937 0.008358 -0.287358 0.278161 0.130013 27O 4s -0.029302 0.062720 -0.003075 0.701394 -0.796697 -0.378937 27O 5s -0.020106 -0.107143 0.031754 0.543559 -0.337026 -0.174544 27O 1pz 0.006781 0.007696 0.035162 0.010067 -0.034430 -0.003534 27O 1px -0.003388 0.018193 0.001015 0.109760 -0.106860 -0.040038 27O 1py 0.001825 -0.016027 0.026967 -0.020335 0.035774 0.020508 27O 2pz -0.029138 -0.029415 -0.142802 -0.063864 0.135579 0.014453 27O 2px 0.018478 -0.047122 -0.016668 -0.583273 0.645660 0.273368 27O 2py -0.007659 0.040490 -0.103300 0.160578 -0.212673 -0.119987 27O 3pz -0.002290 -0.046347 0.003036 -0.035448 -0.064176 -0.037827 27O 3px -0.031815 0.010691 -0.026781 -0.271010 0.149443 0.104951 27O 3py 0.027139 0.034783 0.001946 0.118848 0.024344 -0.004733 27O 1dz2 0.021555 0.021300 0.057653 -0.091288 0.091580 0.006891 27O 1dxz 0.015493 0.020373 0.106254 -0.000066 -0.100480 0.024145 27O 1dyz -0.007279 0.019094 -0.050165 -0.129289 0.010203 -0.002725 27O 1dx2y2 0.005634 0.038808 0.063277 0.069333 -0.098357 -0.033023 27O 1dxy 0.015989 0.001135 0.057957 0.048096 -0.015443 0.044207 27O 2dz2 -0.001290 -0.028361 -0.006852 -0.093422 0.104238 0.054236 27O 2dxz 0.007122 0.005317 0.059680 0.045137 -0.033522 -0.006235 27O 2dyz 0.001407 -0.013040 -0.014381 0.041506 0.011694 0.001946 27O 2dx2y2 -0.001169 0.014776 0.017956 0.155080 -0.156841 -0.060256 27O 2dxy 0.008473 -0.016076 0.045446 -0.123397 0.112993 0.056042 27O 1f0 0.012873 0.023337 0.126855 0.039982 -0.094578 0.020350 27O 1f+1 -0.019420 0.057345 -0.119596 0.195303 -0.224630 -0.066483 27O 1f-1 0.013560 -0.019991 0.104166 -0.068187 0.047352 0.018430 27O 1f+2 -0.016665 0.027679 -0.127112 -0.072692 0.075261 -0.033820 27O 1f-2 0.011850 0.057142 0.136365 0.087562 -0.064518 0.006317 27O 1f+3 0.021427 0.037663 0.170451 0.147281 -0.194971 -0.053196 27O 1f-3 0.014819 -0.031307 0.036901 -0.119928 0.079539 0.082183 28O 1s 0.000067 -0.000441 -0.000373 -0.003254 -0.004398 -0.001236 28O 2s 0.000217 -0.002895 -0.001172 -0.012049 -0.018776 -0.005593 28O 3s -0.003969 0.050184 0.014880 0.159384 0.288777 0.088378 28O 4s 0.017213 -0.074644 -0.047747 -0.329216 -0.745639 -0.216914 28O 5s 0.008508 0.112364 -0.039282 -0.402723 -0.373900 -0.126231 28O 1pz 0.005332 -0.025027 0.028983 -0.033633 -0.083454 -0.058259 28O 1px 0.000864 0.014463 0.020890 0.051676 0.085092 0.011328 28O 1py 0.000578 -0.023821 -0.042821 -0.002263 -0.040384 0.029802 28O 2pz -0.022867 0.065903 -0.098198 0.202331 0.482122 0.268773 28O 2px -0.001637 -0.043401 -0.093038 -0.226975 -0.463534 -0.080473 28O 2py -0.004032 0.071296 0.175272 0.039740 0.198711 -0.094873 28O 3pz -0.051282 0.064284 0.005988 0.214777 0.093980 -0.005826 28O 3px 0.026907 0.053199 -0.004185 -0.121653 -0.136101 -0.054419 28O 3py -0.031444 0.037768 -0.004031 0.066988 -0.016719 0.041070 28O 1dz2 -0.000329 0.008970 0.125019 0.013914 0.008487 -0.070606 28O 1dxz 0.003272 0.028593 -0.016432 -0.002280 0.049753 0.133771 28O 1dyz -0.007790 0.022377 -0.106468 -0.083430 -0.091106 0.072165 28O 1dx2y2 0.000510 -0.020343 -0.004935 -0.089436 -0.124743 0.096543 28O 1dxy 0.000944 0.051739 0.109335 -0.087183 0.047263 -0.217701 28O 2dz2 0.003643 -0.008739 0.048484 -0.040981 -0.058337 -0.060357 28O 2dxz -0.008104 0.039513 -0.009721 0.116140 0.206377 0.061314 28O 2dyz -0.000304 -0.035840 -0.037696 0.007475 -0.045559 0.008910 28O 2dx2y2 0.002484 -0.018899 -0.014750 -0.021780 -0.065690 -0.036090 28O 2dxy -0.000785 0.005921 0.057387 0.060779 0.074966 0.012302 28O 1f0 -0.005901 -0.052084 -0.226506 0.003016 -0.070755 -0.026452 28O 1f+1 0.004487 -0.034109 0.146317 -0.091571 -0.120010 -0.291506 28O 1f-1 -0.002716 0.106436 0.052667 0.034384 0.088534 -0.010640 28O 1f+2 -0.008071 0.056901 -0.050147 0.107654 0.224845 0.059955 28O 1f-2 -0.000842 -0.064419 -0.205537 -0.084123 -0.173804 0.172271 28O 1f+3 -0.007830 0.061030 -0.058290 0.051331 0.125584 -0.041338 28O 1f-3 -0.001105 -0.005619 -0.110618 -0.004615 -0.111825 0.229953 29O 1s -0.000153 -0.000064 0.000357 -0.000702 -0.000238 -0.000365 29O 2s -0.000449 -0.000139 0.001121 -0.000789 -0.000461 -0.000927 29O 3s 0.005933 0.001883 -0.013179 -0.010366 0.001744 0.007683 29O 4s -0.014484 -0.003411 0.032915 0.010522 -0.013488 -0.031771 29O 5s 0.004643 -0.010924 -0.036013 0.162526 0.067380 0.102604 29O 1pz -0.178299 -0.173933 0.015770 -0.000952 0.000115 0.001698 29O 1px -0.064797 -0.063962 0.006166 -0.013495 -0.002966 -0.000253 29O 1py 0.015583 0.015365 -0.000715 0.005615 0.001293 0.001639 29O 2pz 0.984529 0.956794 -0.089238 0.013244 0.011063 -0.006061 29O 2px 0.358739 0.350967 -0.031237 0.041633 0.012534 0.002216 29O 2py -0.085244 -0.084554 0.002161 -0.038947 -0.008542 -0.008257 29O 3pz -0.128338 -0.130746 0.011667 0.012528 0.029647 0.014139 29O 3px -0.047397 -0.045906 0.016599 -0.089336 -0.026752 -0.038705 29O 3py 0.009531 0.012817 0.001542 -0.055457 -0.015789 -0.011172 29O 1dz2 -0.239431 -0.214279 0.036830 0.046802 0.009457 0.011420 29O 1dxz 0.223536 0.197765 -0.018510 0.058193 0.004766 0.005139 29O 1dyz -0.360768 -0.353598 0.024850 -0.004957 -0.017985 0.000287 29O 1dx2y2 0.068251 0.059155 0.009546 -0.046987 -0.011859 0.000125 29O 1dxy -0.158203 -0.156919 0.008915 -0.025239 -0.012824 -0.008351 29O 2dz2 -0.132543 -0.135353 0.005180 -0.024141 -0.008207 -0.004005 29O 2dxz 0.118598 0.124082 -0.009434 -0.023994 0.000347 -0.004411 29O 2dyz -0.236158 -0.225526 0.024841 -0.006205 0.000895 0.001337 29O 2dx2y2 0.032072 0.034042 -0.011104 0.034656 0.009575 0.001768 29O 2dxy -0.104253 -0.099666 0.009088 -0.001835 0.000983 0.002764 29O 1f0 0.028737 0.026036 -0.001959 -0.003967 0.000872 -0.000268 29O 1f+1 0.040798 0.035810 -0.008030 -0.003988 0.003620 0.001154 29O 1f-1 0.280177 0.264166 -0.029305 -0.018397 -0.007963 -0.010562 29O 1f+2 -0.128057 -0.117568 0.015429 -0.011573 -0.001572 -0.003328 29O 1f-2 -0.380273 -0.363978 0.029888 -0.027814 -0.004958 -0.000311 29O 1f+3 0.121262 0.114592 -0.002566 -0.002110 -0.001478 -0.000066 29O 1f-3 0.182142 0.174076 -0.013762 0.001044 -0.001881 -0.004478 30O 1s 0.000843 -0.000556 0.000134 -0.004379 0.003270 0.001634 30O 2s 0.002974 -0.003224 0.000937 -0.017292 0.014629 0.007238 30O 3s -0.042749 0.064194 -0.021505 0.245590 -0.236676 -0.114579 30O 4s 0.134084 -0.165464 0.080933 -0.559422 0.660967 0.308605 30O 5s 0.173786 -0.146540 0.087690 -0.522891 0.288524 0.106776 30O 1pz 0.002480 -0.003572 0.051100 -0.060397 0.068058 0.026793 30O 1px -0.000460 0.006376 0.005997 0.067372 -0.045072 -0.021745 30O 1py 0.010505 0.020176 0.025561 0.048266 -0.057803 -0.030766 30O 2pz -0.045034 0.046772 -0.222230 0.315038 -0.370714 -0.148124 30O 2px 0.042107 -0.072716 -0.001785 -0.321007 0.300414 0.138781 30O 2py -0.002862 -0.101145 -0.080746 -0.294325 0.350839 0.171831 30O 3pz -0.063036 0.083050 -0.017393 0.115621 -0.042009 -0.005195 30O 3px 0.074247 -0.033329 0.036365 -0.129569 0.149039 0.063095 30O 3py 0.082360 -0.078446 0.021361 -0.179296 0.038924 0.010230 30O 1dz2 0.023993 -0.002322 0.167501 0.069043 0.021720 -0.000578 30O 1dxz -0.012874 0.012646 -0.069490 0.085242 -0.136895 -0.004835 30O 1dyz -0.012859 0.001719 -0.051218 0.101571 -0.052089 -0.032354 30O 1dx2y2 0.014991 -0.008337 0.066817 -0.073446 -0.001695 0.004634 30O 1dxy -0.008107 -0.044738 -0.073682 0.061389 0.002479 0.055184 30O 2dz2 0.003936 0.021922 0.057485 -0.023461 -0.000267 -0.009903 30O 2dxz -0.017313 0.032422 -0.055219 0.109409 -0.098886 -0.052397 30O 2dyz -0.015209 0.037996 -0.027079 0.085738 -0.114805 -0.050687 30O 2dx2y2 -0.000693 0.003479 0.009446 0.024092 -0.005032 -0.007883 30O 2dxy 0.006762 -0.036044 -0.028072 -0.154094 0.122649 0.048356 30O 1f0 -0.018335 -0.082975 -0.105504 -0.136309 0.149045 0.065724 30O 1f+1 0.022822 0.022488 0.198780 -0.066169 0.129193 -0.000202 30O 1f-1 0.030785 0.024787 0.271161 -0.063634 0.049662 0.020836 30O 1f+2 -0.006859 -0.008920 -0.042836 0.032914 -0.067246 0.007038 30O 1f-2 0.001114 0.053292 -0.045452 0.234865 -0.211595 -0.091446 30O 1f+3 -0.023527 0.001984 -0.141076 -0.043151 0.017904 0.033615 30O 1f-3 0.002452 0.020824 -0.025379 0.028405 -0.047710 -0.063102 31O 1s -0.000830 -0.000614 0.000155 0.004368 -0.003243 -0.001551 31O 2s -0.002911 -0.003438 0.001018 0.017259 -0.014533 -0.006968 31O 3s 0.041388 0.067309 -0.022580 -0.245073 0.235358 0.111427 31O 4s -0.129625 -0.174641 0.082491 0.556573 -0.656633 -0.299697 31O 5s -0.168272 -0.157116 0.089088 0.519072 -0.285488 -0.102900 31O 1pz 0.003396 0.003450 -0.051587 -0.059989 0.067783 0.025091 31O 1px -0.000463 -0.006755 -0.005605 0.067593 -0.044738 -0.021230 31O 1py 0.011167 -0.020097 -0.025307 0.048829 -0.057685 -0.031875 31O 2pz -0.047066 -0.048611 0.224027 0.312563 -0.368610 -0.140589 31O 2px 0.040319 0.076553 0.000511 -0.320891 0.298344 0.135760 31O 2py -0.006458 0.103322 0.079541 -0.295510 0.349358 0.173722 31O 3pz -0.058224 -0.086465 0.017013 0.113505 -0.042119 -0.006512 31O 3px 0.071225 0.037559 -0.036530 -0.126730 0.147885 0.060112 31O 3py 0.079046 0.083450 -0.022244 -0.176880 0.040093 0.007226 31O 1dz2 -0.025546 -0.001868 0.166891 -0.070977 -0.020970 0.002775 31O 1dxz 0.014023 0.013000 -0.070673 -0.084161 0.136198 -0.001988 31O 1dyz 0.012970 0.002396 -0.051674 -0.101033 0.051306 0.031269 31O 1dx2y2 -0.015128 -0.008775 0.066822 0.072728 0.002126 -0.005237 31O 1dxy 0.010177 -0.044837 -0.074670 -0.060090 -0.003296 -0.061386 31O 2dz2 -0.005360 0.022134 0.057783 0.022840 0.000256 0.011536 31O 2dxz 0.017002 0.033421 -0.055607 -0.108895 0.098370 0.051894 31O 2dyz 0.014893 0.039012 -0.027469 -0.085591 0.114580 0.050027 31O 2dx2y2 0.000324 0.003702 0.009369 -0.024192 0.004830 0.008164 31O 2dxy -0.005530 -0.037322 -0.027157 0.154361 -0.122122 -0.047408 31O 1f0 -0.020684 0.083564 0.104279 -0.138111 0.149065 0.065688 31O 1f+1 0.025861 -0.022648 -0.199897 -0.063388 0.127690 -0.010858 31O 1f-1 0.035532 -0.025371 -0.271333 -0.061217 0.049768 0.018402 31O 1f+2 -0.007604 0.008469 0.043520 0.031981 -0.066523 0.012560 31O 1f-2 0.001219 -0.053829 0.047115 0.235005 -0.210784 -0.089059 31O 1f+3 -0.025351 -0.001830 0.140864 -0.044794 0.017947 0.035647 31O 1f-3 0.002611 -0.020700 0.024927 0.028863 -0.048225 -0.068630 32O 1s 0.000144 -0.000051 0.000355 0.000694 0.000222 0.000375 32O 2s 0.000414 -0.000099 0.001103 0.000769 0.000412 0.000956 32O 3s -0.005453 0.001382 -0.012818 0.010469 -0.001253 -0.007985 32O 4s 0.013750 -0.002323 0.032013 -0.011173 0.012346 0.032634 32O 5s -0.005468 -0.011500 -0.036101 -0.159035 -0.065122 -0.104453 32O 1pz -0.186196 0.166210 -0.018295 -0.000342 -0.000207 0.001762 32O 1px -0.066966 0.060351 -0.007106 -0.013079 -0.003145 -0.000312 32O 1py 0.011653 -0.010616 0.000529 0.005374 0.001363 0.001685 32O 2pz 1.027808 -0.913872 0.103396 0.009663 0.012810 -0.006735 32O 2px 0.370047 -0.330736 0.036267 0.039555 0.013168 0.002268 32O 2py -0.063436 0.057912 -0.001220 -0.037650 -0.008421 -0.008337 32O 3pz -0.134112 0.125874 -0.013630 0.013212 0.028981 0.014020 32O 3px -0.050872 0.044126 -0.017514 -0.087478 -0.027005 -0.039120 32O 3py 0.007040 -0.009947 -0.002243 -0.055301 -0.014734 -0.011918 32O 1dz2 0.230194 -0.187750 0.038090 -0.048032 -0.009692 -0.011051 32O 1dxz -0.241019 0.195418 -0.022984 -0.056681 -0.005466 -0.005750 32O 1dyz 0.381756 -0.342187 0.030955 0.002016 0.017976 -0.001077 32O 1dx2y2 -0.080768 0.065111 0.007990 0.046691 0.011024 -0.000177 32O 1dxy 0.157986 -0.142367 0.010768 0.023773 0.013156 0.007279 32O 2dz2 0.128104 -0.120048 0.006101 0.023285 0.008284 0.003713 32O 2dxz -0.129105 0.123107 -0.011382 0.024079 -0.000523 0.004996 32O 2dyz 0.249620 -0.218043 0.028351 0.005398 -0.000292 -0.001387 32O 2dx2y2 -0.040146 0.038288 -0.012405 -0.034489 -0.009507 -0.001622 32O 2dxy 0.103371 -0.090711 0.010042 0.001183 -0.001082 -0.002348 32O 1f0 0.013961 -0.011178 0.000653 -0.002779 0.001088 0.000198 32O 1f+1 0.053107 -0.043536 0.009531 -0.003077 0.004154 0.001174 32O 1f-1 0.284443 -0.245701 0.032133 -0.020413 -0.007761 -0.010581 32O 1f+2 -0.132768 0.111554 -0.017472 -0.009825 -0.001504 -0.003252 32O 1f-2 -0.402517 0.351767 -0.035557 -0.025752 -0.005286 0.000006 32O 1f+3 0.109925 -0.094875 0.002908 -0.003400 -0.001373 0.000165 32O 1f-3 0.193778 -0.169463 0.016572 0.000102 -0.001710 -0.004312 33O 1s -0.000024 -0.000432 -0.000346 0.003250 0.004362 0.001369 33O 2s 0.000042 -0.002853 -0.001059 0.012038 0.018678 0.006085 33O 3s -0.000806 0.049460 0.013017 -0.159268 -0.287797 -0.095238 33O 4s -0.007174 -0.072432 -0.041906 0.328126 0.741621 0.237230 33O 5s -0.007432 0.114811 -0.031206 0.404066 0.370646 0.139441 33O 1pz 0.003788 0.025190 -0.029281 -0.033441 -0.083915 -0.059307 33O 1px 0.002076 -0.014224 -0.020491 0.051927 0.084715 0.013237 33O 1py -0.001480 0.023519 0.042896 -0.002453 -0.040176 0.029468 33O 2pz -0.017086 -0.065988 0.101757 0.201430 0.482215 0.278015 33O 2px -0.007763 0.041466 0.089807 -0.227710 -0.461420 -0.092501 33O 2py 0.003413 -0.070083 -0.174843 0.040630 0.197805 -0.091642 33O 3pz -0.043724 -0.065885 -0.003094 0.213801 0.093067 -0.005895 33O 3px 0.026220 -0.052650 0.000766 -0.120560 -0.134563 -0.060794 33O 3py -0.027961 -0.039982 0.004311 0.066968 -0.015307 0.039933 33O 1dz2 -0.002768 0.008102 0.125322 -0.014543 -0.008147 0.069950 33O 1dxz -0.006025 0.027933 -0.017148 0.002232 -0.051305 -0.134559 33O 1dyz 0.008378 0.023273 -0.105404 0.084188 0.089304 -0.067770 33O 1dx2y2 0.000389 -0.020327 -0.004233 0.089418 0.123393 -0.094358 33O 1dxy -0.005833 0.050453 0.110840 0.086956 -0.045949 0.217647 33O 2dz2 -0.003024 -0.008786 0.049207 0.040573 0.058349 0.061188 33O 2dxz 0.004688 0.039507 -0.011292 -0.116133 -0.206204 -0.064997 33O 2dyz 0.003256 -0.035498 -0.037542 -0.007160 0.045980 -0.008613 33O 2dx2y2 -0.000266 -0.018534 -0.014299 0.021927 0.066021 0.037262 33O 2dxy -0.000751 0.005780 0.056749 -0.061297 -0.074839 -0.014569 33O 1f0 -0.012385 0.051431 0.226155 0.001199 -0.071825 -0.028174 33O 1f+1 0.003804 0.034810 -0.148145 -0.090986 -0.121977 -0.293005 33O 1f-1 0.005021 -0.105762 -0.051934 0.034903 0.089841 -0.011270 33O 1f+2 -0.004069 -0.056945 0.051630 0.107547 0.225019 0.063519 33O 1f-2 -0.007638 0.063346 0.205156 -0.085422 -0.171976 0.167731 33O 1f+3 -0.004465 -0.061202 0.059035 0.051240 0.125822 -0.041206 33O 1f-3 -0.003066 0.004682 0.111270 -0.004998 -0.109132 0.226406 34O 1s 0.000303 0.000536 -0.000219 -0.005263 0.003915 0.001790 34O 2s 0.001239 0.002652 -0.000903 -0.020408 0.017197 0.007787 34O 3s -0.016621 -0.039948 0.010542 0.288140 -0.277098 -0.126087 34O 4s 0.031876 0.067251 -0.008702 -0.704460 0.793527 0.367713 34O 5s 0.027705 -0.105306 0.028373 -0.549084 0.334880 0.166796 34O 1pz 0.006946 -0.007671 -0.034826 0.010285 -0.034384 -0.001793 34O 1px -0.003168 -0.019005 -0.000186 0.110024 -0.106513 -0.038693 34O 1py 0.001740 0.016200 -0.026997 -0.020468 0.035886 0.022231 34O 2pz -0.030261 0.029495 0.141213 -0.064797 0.135081 0.007700 34O 2px 0.020052 0.051126 0.012271 -0.585885 0.643102 0.264647 34O 2py -0.008570 -0.041221 0.103991 0.161589 -0.212746 -0.124575 34O 3pz -0.004236 0.046099 -0.003650 -0.035205 -0.063896 -0.034788 34O 3px -0.027532 -0.012828 0.024355 -0.273789 0.148457 0.101382 34O 3py 0.026046 -0.032708 -0.001012 0.119270 0.023477 -0.002972 34O 1dz2 -0.023859 0.021060 0.058088 0.090588 -0.091130 -0.002168 34O 1dxz -0.017000 0.021081 0.104714 -0.000208 0.099426 -0.031966 34O 1dyz 0.007830 0.018298 -0.049100 0.129559 -0.009408 0.005867 34O 1dx2y2 -0.007194 0.039973 0.062355 -0.070084 0.097939 0.031607 34O 1dxy -0.016540 0.000882 0.056644 -0.047827 0.014865 -0.049894 34O 2dz2 0.001785 -0.029133 -0.006059 0.094054 -0.103931 -0.054087 34O 2dxz -0.007656 0.005594 0.059117 -0.045553 0.033259 0.004225 34O 2dyz -0.001173 -0.013032 -0.014592 -0.041369 -0.011913 -0.002126 34O 2dx2y2 0.001685 0.015497 0.016799 -0.155744 0.156305 0.057725 34O 2dxy -0.009196 -0.016645 0.046189 0.123676 -0.112758 -0.055972 34O 1f0 0.014374 -0.024257 -0.125416 0.040292 -0.093600 0.028227 34O 1f+1 -0.019886 -0.058714 0.121236 0.194379 -0.223813 -0.061610 34O 1f-1 0.013699 0.020438 -0.104572 -0.067364 0.046900 0.018738 34O 1f+2 -0.016944 -0.027071 0.125173 -0.072673 0.073741 -0.044885 34O 1f-2 0.014219 -0.058067 -0.135248 0.088569 -0.064751 0.009062 34O 1f+3 0.023183 -0.038732 -0.168604 0.148855 -0.194293 -0.047471 34O 1f-3 0.014634 0.032274 -0.036484 -0.120691 0.080062 0.088940 35O 1s -0.000697 0.000911 0.000033 -0.003694 -0.004963 -0.001851 35O 2s -0.002366 0.005087 -0.000181 -0.013982 -0.021320 -0.007913 35O 3s 0.032462 -0.097865 0.008104 0.189827 0.335917 0.123999 35O 4s -0.100938 0.259875 -0.031961 -0.423554 -0.932045 -0.331551 35O 5s -0.125492 0.179631 -0.020522 -0.429317 -0.530456 -0.201304 35O 1pz -0.003532 -0.016551 -0.015880 0.001602 0.034977 0.042865 35O 1px -0.003206 -0.021404 -0.009061 0.068184 0.110845 0.061802 35O 1py -0.007504 -0.021722 0.035041 0.036862 0.084130 -0.016877 35O 2pz 0.006549 0.067688 0.064582 -0.051855 -0.204101 -0.192035 35O 2px -0.029643 0.164107 0.023716 -0.331567 -0.669431 -0.322159 35O 2py 0.009771 0.107818 -0.145633 -0.195005 -0.455720 0.011777 35O 3pz -0.026547 0.072987 0.018222 -0.095302 0.024925 0.035248 35O 3px -0.080113 0.102538 0.011709 -0.148818 -0.214219 -0.040998 35O 3py -0.059147 0.065337 0.006221 -0.116139 -0.064517 -0.040273 35O 1dz2 -0.002039 -0.022081 0.067819 -0.018182 0.017020 0.054587 35O 1dxz -0.010129 0.024089 0.066955 0.085459 0.047471 -0.115767 35O 1dyz 0.005843 -0.039810 -0.014597 -0.073051 -0.018316 -0.109949 35O 1dx2y2 -0.010290 0.030244 0.089940 -0.053684 -0.033481 -0.183294 35O 1dxy 0.003363 0.031226 -0.047223 -0.054833 -0.150464 0.179828 35O 2dz2 0.003922 -0.037021 0.006649 0.081132 0.130422 0.032717 35O 2dxz -0.004332 0.025124 0.030146 -0.072500 -0.105907 -0.064946 35O 2dyz -0.007856 0.034956 0.006524 0.006593 -0.039109 -0.003564 35O 2dx2y2 -0.008895 0.045468 0.036252 -0.042692 -0.102978 -0.069561 35O 2dxy -0.006462 0.062677 -0.054436 -0.102357 -0.192513 -0.053479 35O 1f0 -0.002336 -0.005832 0.002637 0.040689 0.025497 0.199208 35O 1f+1 -0.014549 -0.041950 0.134545 0.049035 0.123800 0.110177 35O 1f-1 -0.011440 0.015658 0.089154 0.069320 0.093876 -0.047909 35O 1f+2 -0.001973 -0.030304 0.170371 0.005781 -0.016435 -0.099150 35O 1f-2 0.000480 0.044624 -0.009762 -0.087436 -0.084334 -0.145015 35O 1f+3 0.012832 -0.040592 -0.190062 -0.016552 -0.040334 0.327433 35O 1f-3 -0.011512 -0.114176 -0.024139 0.156320 0.325396 -0.081737 672 673 674 675 676 677 6.05108 6.05216 6.05380 6.08225 6.08496 6.09435 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s -0.000623 0.000013 -0.000044 0.000010 0.000107 -0.000372 0Rh 2s 0.004538 -0.000007 0.000466 -0.000168 -0.000718 0.002895 0Rh 3s -0.001100 0.000077 0.000007 -0.000038 0.000224 -0.000554 0Rh 4s -0.028783 0.000092 -0.002889 0.000993 0.004621 -0.018511 0Rh 5s 0.078715 0.000020 0.008509 -0.002755 -0.012812 0.052625 0Rh 6s -0.093062 -0.001952 -0.013792 0.003810 0.015860 -0.065453 0Rh 7s 0.076040 0.027115 0.079161 0.011376 -0.060774 -0.209520 0Rh 8s -0.104899 -0.010962 -0.023489 -0.028344 0.012916 -0.515317 0Rh 1pz 0.006983 -0.022264 -0.020276 0.025958 -0.087785 -0.014610 0Rh 1px -0.034280 -0.014783 -0.007469 -0.009291 -0.029608 -0.081089 0Rh 1py -0.010727 0.029270 -0.017159 0.092711 0.019907 -0.064119 0Rh 2pz -0.029172 0.093008 0.084613 -0.108432 0.366579 0.060924 0Rh 2px 0.143185 0.061751 0.031186 0.038803 0.123616 0.339181 0Rh 2py 0.044798 -0.122144 0.071728 -0.387135 -0.083163 0.267966 0Rh 3pz 0.095937 -0.306105 -0.276381 0.356225 -1.201592 -0.197900 0Rh 3px -0.470723 -0.203208 -0.102441 -0.127327 -0.404571 -1.123521 0Rh 3py -0.147170 0.399097 -0.237096 1.268802 0.273346 -0.882798 0Rh 4pz -0.127241 0.408154 0.360678 -0.471557 1.580334 0.253812 0Rh 4px 0.624131 0.271116 0.136506 0.168106 0.529493 1.513404 0Rh 4py 0.194903 -0.521780 0.319881 -1.668516 -0.362367 1.173571 0Rh 5pz 0.072875 -0.243421 -0.196899 0.273965 -0.893492 -0.124046 0Rh 5px -0.358124 -0.164017 -0.085019 -0.096929 -0.291179 -0.927199 0Rh 5py -0.111661 0.289000 -0.199823 0.942836 0.211871 -0.679164 0Rh 6pz -0.044126 -0.076670 0.074111 -0.083793 0.391512 -0.293374 0Rh 6px 0.245547 0.051670 0.126493 0.050886 0.073140 1.501305 0Rh 6py 0.061249 -0.137727 -0.080573 -0.368615 -0.053374 0.419133 0Rh 1dz2 -0.001244 -0.001372 0.001722 -0.001205 0.005324 -0.000276 0Rh 1dxz 0.001753 0.000583 -0.001170 0.002241 -0.008081 0.005455 0Rh 1dyz -0.005785 -0.000305 -0.001184 -0.003295 -0.001937 -0.000319 0Rh 1dx2y2 -0.001090 -0.001222 -0.000968 -0.002385 -0.003054 -0.003477 0Rh 1dxy -0.001489 0.002501 0.001423 0.008573 0.000619 0.004805 0Rh 2dz2 0.000733 0.000227 -0.000450 0.000390 -0.001635 0.001567 0Rh 2dxz 0.000042 -0.000420 0.000342 -0.000619 0.002511 0.000410 0Rh 2dyz 0.002494 0.000147 0.000229 0.000997 0.000404 0.000401 0Rh 2dx2y2 -0.000985 0.000133 0.000531 0.000655 0.000919 -0.002020 0Rh 2dxy 0.000155 -0.000766 -0.000545 -0.002618 -0.000217 -0.002521 0Rh 3dz2 0.002814 0.006100 -0.006863 0.004489 -0.020177 -0.006748 0Rh 3dxz -0.009775 -0.001078 0.004507 -0.008842 0.030523 -0.031387 0Rh 3dyz 0.018623 0.000925 0.005143 0.012632 0.008285 -0.000443 0Rh 3dx2y2 0.011004 0.005795 0.002547 0.009416 0.011670 0.029198 0Rh 3dxy 0.007401 -0.009459 -0.004874 -0.032575 -0.002189 -0.012611 0Rh 4dz2 -0.001910 -0.013240 0.014069 -0.009245 0.040971 0.028044 0Rh 4dxz 0.026848 0.001532 -0.009102 0.018314 -0.061950 0.081347 0Rh 4dyz -0.037100 -0.001776 -0.011461 -0.026543 -0.017985 0.004587 0Rh 4dx2y2 -0.035106 -0.013112 -0.004263 -0.019611 -0.023872 -0.087033 0Rh 4dxy -0.020232 0.019008 0.009548 0.066013 0.004015 0.014586 0Rh 5dz2 -0.024581 0.012513 -0.017756 0.015724 -0.058636 -0.098570 0Rh 5dxz -0.066136 0.007231 0.012928 -0.031733 0.091542 -0.164828 0Rh 5dyz 0.025534 0.005080 0.017070 0.040730 0.033489 -0.025659 0Rh 5dx2y2 0.100955 0.025219 0.001715 0.031190 0.037809 0.219344 0Rh 5dxy 0.044056 -0.024933 -0.001097 -0.099278 -0.006720 0.035258 0Rh 1f0 -0.005590 0.004630 -0.001780 0.008930 0.006814 -0.016400 0Rh 1f+1 0.004918 -0.001790 -0.001757 0.002560 -0.001600 0.008409 0Rh 1f-1 -0.000926 -0.002123 -0.007962 0.016493 -0.008903 -0.009536 0Rh 1f+2 0.006879 0.008404 0.000956 0.000343 0.015332 0.018692 0Rh 1f-2 0.002761 0.004458 -0.004728 0.011304 0.003667 0.000540 0Rh 1f+3 0.009250 -0.006227 0.000135 -0.003719 -0.008150 0.019839 0Rh 1f-3 0.006139 0.001244 -0.002795 0.003155 0.002449 0.009850 1Rh 1s 0.000624 0.000038 -0.000034 0.000007 0.000116 0.000373 1Rh 2s -0.004551 -0.000184 0.000393 -0.000144 -0.000777 -0.002895 1Rh 3s 0.001099 0.000120 0.000025 -0.000044 0.000244 0.000556 1Rh 4s 0.028863 0.001219 -0.002431 0.000839 0.004997 0.018511 1Rh 5s -0.078959 -0.003063 0.007267 -0.002325 -0.013826 -0.052615 1Rh 6s 0.093495 0.001698 -0.012352 0.003292 0.017044 0.065370 1Rh 7s -0.079063 0.024032 0.076999 0.010381 -0.065138 0.210383 1Rh 8s 0.106234 -0.005737 -0.023336 -0.030198 0.010908 0.514809 1Rh 1pz 0.005150 0.022602 0.020220 -0.025767 0.087662 -0.014150 1Rh 1px -0.035068 0.013516 0.007119 0.009861 0.030061 -0.080791 1Rh 1py -0.010269 -0.029617 0.016804 -0.092666 -0.019996 -0.064569 1Rh 2pz -0.021518 -0.094423 -0.084379 0.107637 -0.366067 0.059006 1Rh 2px 0.146475 -0.056460 -0.029725 -0.041185 -0.125508 0.337938 1Rh 2py 0.042893 0.123594 -0.070248 0.386947 0.083531 0.269847 1Rh 3pz 0.070869 0.310767 0.275612 -0.353636 1.199922 -0.191619 1Rh 3px -0.481534 0.185810 0.097668 0.135193 0.410850 -1.119460 1Rh 3py -0.141031 -0.403880 0.232226 -1.268211 -0.274539 -0.888969 1Rh 4pz -0.094255 -0.414363 -0.359642 0.468193 -1.578139 0.245589 1Rh 4px 0.638489 -0.248037 -0.130283 -0.178637 -0.537992 1.508077 1Rh 4py 0.187180 0.528177 -0.313405 1.667808 0.363881 1.181666 1Rh 5pz 0.054164 0.247025 0.196195 -0.272151 0.892191 -0.119557 1Rh 5px -0.366722 0.150739 0.081775 0.103239 0.296552 -0.924135 1Rh 5py -0.108078 -0.292805 0.196015 -0.942581 -0.212546 -0.683673 1Rh 6pz -0.040597 0.074071 -0.071365 0.084653 -0.389011 -0.293351 1Rh 6px 0.251721 -0.042264 -0.129355 -0.059182 -0.085893 1.499035 1Rh 6py 0.054601 0.140758 0.082958 0.369543 0.050527 0.425115 1Rh 1dz2 0.001175 -0.001440 0.001786 -0.001210 0.005323 0.000312 1Rh 1dxz -0.001701 0.000559 -0.001199 0.002282 -0.008091 -0.005476 1Rh 1dyz 0.005850 -0.000433 -0.001000 -0.003277 -0.001881 0.000268 1Rh 1dx2y2 0.001167 -0.001199 -0.000907 -0.002378 -0.003034 0.003455 1Rh 1dxy 0.001361 0.002412 0.001449 0.008574 0.000597 -0.004731 1Rh 2dz2 -0.000718 0.000227 -0.000481 0.000405 -0.001628 -0.001582 1Rh 2dxz -0.000054 -0.000443 0.000345 -0.000619 0.002525 -0.000407 1Rh 2dyz -0.002507 0.000192 0.000155 0.000993 0.000385 -0.000383 1Rh 2dx2y2 0.000956 0.000168 0.000518 0.000640 0.000899 0.002025 1Rh 2dxy -0.000112 -0.000719 -0.000555 -0.002624 -0.000217 0.002497 1Rh 3dz2 -0.002524 0.006470 -0.007054 0.004437 -0.020208 0.006628 1Rh 3dxz 0.009562 -0.000826 0.004654 -0.009060 0.030510 0.031480 1Rh 3dyz -0.018909 0.001389 0.004527 0.012554 0.008081 0.000624 1Rh 3dx2y2 -0.011272 0.005492 0.002280 0.009464 0.011662 -0.029109 1Rh 3dxy -0.006936 -0.009220 -0.004966 -0.032551 -0.002074 0.012338 1Rh 4dz2 0.001305 -0.014246 0.014404 -0.009024 0.041079 -0.027814 1Rh 4dxz -0.026416 0.000726 -0.009490 0.018861 -0.061874 -0.081553 1Rh 4dyz 0.037736 -0.002817 -0.010207 -0.026361 -0.017560 -0.004950 1Rh 4dx2y2 0.035633 -0.012080 -0.003591 -0.019850 -0.023929 0.086842 1Rh 4dxy 0.019307 0.018672 0.009812 0.065912 0.003755 -0.014031 1Rh 5dz2 0.025549 0.014756 -0.017514 0.015028 -0.058704 0.098285 1Rh 5dxz 0.065313 0.009596 0.013947 -0.032802 0.091535 0.165341 1Rh 5dyz -0.026575 0.006380 0.016248 0.040584 0.033195 0.026245 1Rh 5dx2y2 -0.101699 0.021862 0.000126 0.032161 0.037805 -0.219039 1Rh 5dxy -0.043165 -0.025516 -0.001700 -0.098895 -0.006409 -0.035943 1Rh 1f0 -0.005454 -0.004868 0.001676 -0.008854 -0.006785 -0.016463 1Rh 1f+1 0.004791 0.001977 0.001814 -0.002612 0.001547 0.008427 1Rh 1f-1 -0.001288 0.002116 0.007920 -0.016488 0.008875 -0.009490 1Rh 1f+2 0.007242 -0.008156 -0.000902 -0.000488 -0.015424 0.018613 1Rh 1f-2 0.002774 -0.004376 0.004731 -0.011332 -0.003701 0.000535 1Rh 1f+3 0.009017 0.006523 -0.000046 0.003640 0.008054 0.019912 1Rh 1f-3 0.006101 -0.000989 0.002914 -0.003226 -0.002504 0.009823 2C 1s -0.000157 -0.000049 0.000153 -0.000277 0.000275 -0.000010 2C 2s 0.000056 -0.000098 0.000053 -0.000069 0.000156 0.001075 2C 3s -0.020619 0.004076 0.008879 -0.024176 0.018483 -0.127182 2C 4s 0.084187 -0.011334 -0.037268 0.061711 -0.046408 0.634413 2C 5s -0.096829 0.065801 0.162064 -0.175641 0.074273 -0.355412 2C 1pz 0.001217 -0.004404 0.002890 0.007634 -0.002116 -0.007102 2C 1px -0.009341 0.006688 0.002154 -0.015589 0.011166 -0.013667 2C 1py -0.001178 0.004573 -0.008320 -0.005909 -0.000729 -0.012269 2C 2pz -0.022891 0.044995 -0.046817 -0.122970 0.063543 0.173119 2C 2px 0.098257 -0.055006 -0.010623 0.113942 -0.077347 0.190000 2C 2py 0.008035 -0.044056 0.092951 0.023405 0.035685 0.229858 2C 3pz 0.006633 0.024943 -0.010055 -0.039877 0.037210 -0.040792 2C 3px -0.022194 0.013001 0.012854 0.071615 -0.086306 0.004332 2C 3py -0.031813 -0.017503 0.074816 -0.001149 -0.026447 -0.041971 2C 1dz2 0.006199 -0.010696 -0.000534 0.030601 -0.022127 0.020133 2C 1dxz -0.015188 0.009962 0.016408 -0.053920 0.044016 -0.019875 2C 1dyz 0.003978 0.000213 -0.007206 0.003448 -0.004407 0.012130 2C 1dx2y2 0.003643 -0.005216 0.002802 0.003490 -0.001085 0.006162 2C 1dxy -0.011351 0.009943 0.011495 -0.039733 0.033332 -0.016995 2C 2dz2 0.005511 0.031210 -0.065159 -0.041489 0.018445 0.026688 2C 2dxz -0.026190 -0.002196 0.076393 -0.047996 0.055717 0.021539 2C 2dyz 0.009565 -0.033707 0.037240 0.045342 -0.015684 0.102607 2C 2dx2y2 0.041778 -0.030178 -0.003922 0.110043 -0.071474 0.059923 2C 2dxy 0.008784 0.026732 -0.055659 -0.049246 0.002563 -0.008443 2C 1f0 0.029443 -0.005670 -0.042762 0.046688 -0.042187 0.037492 2C 1f+1 -0.021374 -0.009317 0.051512 -0.023922 0.031050 -0.020470 2C 1f-1 -0.003108 -0.012116 0.022608 0.022826 -0.011009 0.023048 2C 1f+2 -0.022590 -0.000466 0.038709 -0.027632 0.028886 -0.021796 2C 1f-2 -0.005101 0.025805 -0.018256 -0.058740 0.038025 -0.017889 2C 1f+3 -0.000303 0.023630 -0.037010 -0.048513 0.025889 -0.024796 2C 1f-3 0.008951 0.004830 -0.026256 0.011273 -0.014394 -0.009661 3C 1s 0.000101 0.000259 -0.000034 0.000225 0.000192 -0.000286 3C 2s 0.000010 0.000158 0.000106 0.000162 -0.000002 -0.000681 3C 3s 0.006447 0.013671 -0.003130 0.015280 0.021845 0.026050 3C 4s -0.021007 -0.053140 -0.013879 -0.054558 -0.070879 -0.168309 3C 5s 0.004147 0.118094 -0.072886 0.107708 0.072853 0.082123 3C 1pz 0.000023 -0.007213 0.002968 -0.004031 -0.001623 0.005109 3C 1px 0.019321 -0.003656 -0.007742 0.009127 0.017846 -0.015272 3C 1py 0.005626 -0.003011 -0.001795 0.001555 0.004466 -0.004794 3C 2pz -0.003818 0.069935 -0.037773 0.038108 0.020997 -0.124943 3C 2px -0.183910 0.058202 0.057650 -0.061970 -0.141606 0.169543 3C 2py -0.083260 0.042512 0.051071 -0.029633 -0.073977 0.156460 3C 3pz -0.022046 0.034378 0.015468 0.029683 0.027507 0.000445 3C 3px -0.072081 0.043308 0.006865 -0.093857 -0.075185 -0.012540 3C 3py -0.040352 0.014866 0.021908 -0.041020 -0.013109 -0.019948 3C 1dz2 -0.001958 -0.012477 0.003947 -0.015230 -0.015542 0.006179 3C 1dxz 0.012860 0.009491 -0.008418 0.026991 0.033354 -0.025195 3C 1dyz 0.007108 0.014450 -0.005989 0.021055 0.024626 -0.005430 3C 1dx2y2 0.011555 0.004491 -0.003532 0.025159 0.030956 -0.016823 3C 1dxy -0.018127 -0.014642 0.011470 -0.039090 -0.048169 0.022117 3C 2dz2 -0.054720 0.055009 0.017017 -0.005558 -0.033746 0.007189 3C 2dxz 0.074329 0.000585 -0.041364 0.072368 0.125052 -0.118878 3C 2dyz -0.003838 0.027646 -0.002175 0.030663 0.034326 -0.006735 3C 2dx2y2 -0.052111 0.012097 0.025471 -0.027581 -0.029212 0.045405 3C 2dxy 0.114943 -0.097970 -0.023408 -0.002358 0.032313 -0.016075 3C 1f0 -0.042609 0.031361 0.018473 -0.007574 -0.019608 0.010125 3C 1f+1 0.037349 -0.052482 -0.008958 -0.010906 0.000393 -0.005525 3C 1f-1 0.025291 -0.011927 -0.012437 0.016938 0.024985 -0.003119 3C 1f+2 0.034272 0.001534 -0.021317 0.038216 0.053339 -0.015907 3C 1f-2 -0.037094 0.030761 0.013911 -0.017194 -0.031188 0.015302 3C 1f+3 -0.035521 0.061817 0.005530 0.035936 0.030321 -0.025274 3C 1f-3 0.010103 0.024591 -0.011406 0.048667 0.059961 -0.056493 4C 1s 0.001208 -0.000640 -0.000028 0.000997 -0.000728 0.010538 4C 2s 0.001915 -0.000972 0.000000 0.001316 -0.000762 0.016633 4C 3s -0.000836 0.002182 -0.005752 0.033960 -0.030240 -0.024876 4C 4s -0.045684 0.005955 0.001644 -0.166004 0.144924 -0.426370 4C 5s 0.093696 -0.037314 -0.051360 0.035956 0.006717 0.454027 4C 1pz 0.026821 -0.018281 -0.018889 0.060433 -0.049631 -0.018996 4C 1px -0.099127 0.062373 0.045256 -0.183724 0.145221 -0.163638 4C 1py -0.022957 0.010437 0.012725 -0.029572 0.024784 -0.073015 4C 2pz 0.184117 -0.142280 -0.118712 0.404175 -0.309892 0.694874 4C 2px -0.553890 0.386969 0.511144 -1.538163 1.241302 -1.079192 4C 2py -0.087331 0.115440 0.042668 -0.349320 0.268360 -0.032012 4C 3pz -0.025373 0.053634 0.105832 -0.029344 -0.038548 0.077649 4C 3px 0.057063 -0.090736 -0.005381 -0.121436 0.161894 0.052051 4C 3py 0.018814 0.004338 0.038734 -0.063302 0.042025 0.107142 4C 1dz2 0.082923 -0.022179 -0.083833 0.098058 -0.083812 0.167324 4C 1dxz -0.125653 0.016023 0.157258 -0.169176 0.150606 -0.115223 4C 1dyz -0.016811 -0.032890 0.082248 0.024798 -0.007028 0.028719 4C 1dx2y2 -0.046289 -0.050841 0.132156 0.014514 0.010329 -0.088483 4C 1dxy -0.036222 0.132918 -0.163751 -0.203579 0.127025 -0.208019 4C 2dz2 0.068704 -0.041916 -0.142456 0.266830 -0.235925 0.057609 4C 2dxz -0.085907 0.085934 0.184864 -0.359430 0.301858 -0.188151 4C 2dyz -0.005084 -0.007380 0.023564 0.037472 -0.016072 -0.099850 4C 2dx2y2 -0.020360 0.021820 0.021235 -0.100683 0.093119 -0.017693 4C 2dxy -0.076417 0.070963 0.121965 -0.348578 0.257180 -0.162587 4C 1f0 -0.003910 0.089684 -0.132977 -0.148678 0.071230 -0.099440 4C 1f+1 -0.006734 -0.064251 0.114341 0.143563 -0.072004 0.050716 4C 1f-1 -0.006125 -0.052316 0.104687 0.054704 -0.009171 0.074415 4C 1f+2 0.043176 -0.078143 0.055923 0.152693 -0.092542 0.129543 4C 1f-2 0.034607 0.018836 -0.114213 0.011429 -0.043997 0.023900 4C 1f+3 0.122354 0.050572 -0.273588 0.088247 -0.137360 0.094333 4C 1f-3 0.063994 -0.038753 -0.057998 0.084073 -0.075156 0.113555 5C 1s 0.000754 -0.001822 -0.000182 -0.000987 -0.000269 -0.003221 5C 2s 0.001116 -0.002872 -0.000259 -0.001669 -0.000308 -0.005221 5C 3s -0.004169 -0.007218 0.004827 -0.012954 -0.033066 0.049179 5C 4s -0.024189 0.104321 -0.024842 0.090793 0.158603 -0.037786 5C 5s -0.005783 -0.038788 0.015894 0.007050 -0.003185 -0.133629 5C 1pz -0.036676 -0.014542 0.021524 -0.044741 -0.058390 0.065821 5C 1px 0.097428 0.062213 -0.054285 0.144284 0.173812 -0.155355 5C 1py 0.017851 0.009695 -0.012905 0.025029 0.033035 -0.057135 5C 2pz -0.117508 -0.245566 0.100112 -0.364153 -0.424985 0.191092 5C 2px 0.442427 0.658587 -0.371310 1.225644 1.482922 -1.215653 5C 2py 0.106124 0.041662 -0.025768 0.191098 0.235860 -0.092490 5C 3pz 0.004927 0.020561 -0.059715 -0.010330 -0.037693 0.010140 5C 3px 0.042287 0.003352 0.084599 0.167229 0.113276 0.027762 5C 3py 0.023870 -0.040068 0.036385 -0.028406 0.019155 0.129093 5C 1dz2 -0.148768 0.069451 0.071953 -0.069680 -0.101912 0.053716 5C 1dxz 0.267124 -0.180080 -0.112178 0.101254 0.166880 -0.172685 5C 1dyz 0.036671 0.040073 -0.025807 0.065367 0.079055 -0.078908 5C 1dx2y2 0.075765 0.017098 -0.035443 0.097882 0.121047 -0.109472 5C 1dxy 0.057727 -0.206630 0.002332 -0.129583 -0.139088 0.192205 5C 2dz2 -0.034355 -0.075614 0.036967 -0.132428 -0.177386 0.047206 5C 2dxz 0.001499 0.099041 -0.019726 0.130794 0.173258 -0.040809 5C 2dyz 0.013700 0.097558 -0.046629 0.146312 0.173144 -0.080433 5C 2dx2y2 -0.006431 0.187778 -0.068895 0.233515 0.276502 -0.180293 5C 2dxy 0.016156 -0.268168 0.050688 -0.336574 -0.354348 0.126868 5C 1f0 -0.134919 0.213885 0.025340 0.069678 0.026447 -0.027226 5C 1f+1 0.127442 -0.153256 -0.041333 -0.064634 -0.029388 0.152280 5C 1f-1 0.103022 -0.089659 -0.041220 -0.010180 0.022687 0.005866 5C 1f+2 0.054138 -0.160791 0.011184 -0.095014 -0.080491 0.021591 5C 1f-2 -0.159029 0.110120 0.066175 -0.038220 -0.093500 0.100619 5C 1f+3 -0.252529 0.126185 0.115278 -0.136319 -0.234237 0.159359 5C 1f-3 -0.076909 0.047015 0.027451 -0.077744 -0.113013 0.132221 6C 1s -0.000693 -0.001843 -0.000172 -0.000963 -0.000248 0.003206 6C 2s -0.001022 -0.002901 -0.000238 -0.001631 -0.000274 0.005176 6C 3s 0.004643 -0.008387 0.004891 -0.013561 -0.033846 -0.048934 6C 4s 0.019895 0.110240 -0.025761 0.091961 0.160910 0.036798 6C 5s 0.005323 -0.038579 0.019423 0.008923 -0.002802 0.129308 6C 1pz -0.036637 0.015304 -0.023096 0.044565 0.057871 0.066266 6C 1px 0.097799 -0.064941 0.058810 -0.143105 -0.171616 -0.156726 6C 1py 0.017735 -0.010350 0.013581 -0.025050 -0.032783 -0.057311 6C 2pz -0.120759 0.251311 -0.106127 0.361207 0.419151 0.195985 6C 2px 0.454491 -0.674107 0.394219 -1.218402 -1.467510 -1.229835 6C 2py 0.107837 -0.041833 0.030679 -0.186989 -0.231944 -0.094910 6C 3pz 0.003865 -0.021247 0.060854 0.008334 0.037420 0.011482 6C 3px 0.045899 -0.001491 -0.083477 -0.168642 -0.112768 0.024801 6C 3py 0.023536 0.042524 -0.036403 0.031087 -0.018947 0.127495 6C 1dz2 0.144502 0.071036 0.077128 -0.068812 -0.100053 -0.054215 6C 1dxz -0.259369 -0.183875 -0.121092 0.099897 0.164446 0.173248 6C 1dyz -0.036656 0.041813 -0.027534 0.064889 0.077696 0.079646 6C 1dx2y2 -0.075772 0.018077 -0.039100 0.096541 0.119112 0.110383 6C 1dxy -0.052180 -0.213582 0.002153 -0.128959 -0.137470 -0.194151 6C 2dz2 0.037268 -0.076162 0.039010 -0.132745 -0.177267 -0.048762 6C 2dxz -0.004544 0.099498 -0.020021 0.129494 0.171958 0.042352 6C 2dyz -0.016383 0.097615 -0.047919 0.145959 0.172214 0.082084 6C 2dx2y2 0.001419 0.191093 -0.070112 0.233886 0.275950 0.182782 6C 2dxy -0.007893 -0.270668 0.051758 -0.334810 -0.352241 -0.130610 6C 1f0 -0.129014 -0.219849 -0.028716 -0.069799 -0.025961 -0.028525 6C 1f+1 0.121062 0.158206 0.044269 0.064175 0.029548 0.153180 6C 1f-1 0.098826 0.091717 0.044221 0.010421 -0.021834 0.006019 6C 1f+2 0.050730 0.164705 -0.010235 0.095156 0.079509 0.022828 6C 1f-2 -0.154299 -0.112455 -0.071655 0.037124 0.091710 0.101076 6C 1f+3 -0.246592 -0.129218 -0.124133 0.134812 0.231647 0.160341 6C 1f-3 -0.075835 -0.047837 -0.030424 0.076548 0.112046 0.132863 7C 1s -0.001186 -0.000638 -0.000082 0.001038 -0.000723 -0.010538 7C 2s -0.001882 -0.000977 -0.000082 0.001370 -0.000742 -0.016614 7C 3s 0.000556 0.003067 -0.005709 0.034985 -0.031320 0.023067 7C 4s 0.046778 0.002292 0.003826 -0.171907 0.149345 0.433341 7C 5s -0.091245 -0.041725 -0.054498 0.038205 0.007156 -0.454397 7C 1pz 0.025803 0.017241 0.019789 -0.060246 0.049313 -0.018518 7C 1px -0.096018 -0.059206 -0.048262 0.184059 -0.144193 -0.164110 7C 1py -0.022218 -0.010105 -0.013705 0.029679 -0.024598 -0.073161 7C 2pz 0.175506 0.138878 0.122675 -0.405005 0.306534 0.694581 7C 2px -0.525066 -0.373450 -0.525597 1.540243 -1.233340 -1.088174 7C 2py -0.083829 -0.110697 -0.042877 0.349418 -0.267196 -0.034549 7C 3pz -0.021309 -0.055494 -0.105048 0.029300 0.036052 0.072563 7C 3px 0.054427 0.093459 0.006326 0.121806 -0.160864 0.051889 7C 3py 0.020031 -0.003503 -0.036209 0.064261 -0.043097 0.103985 7C 1dz2 -0.079658 -0.022685 -0.087882 0.098374 -0.083357 -0.168173 7C 1dxz 0.119806 0.016451 0.164140 -0.169287 0.149699 0.116643 7C 1dyz 0.014803 -0.029698 0.084787 0.024588 -0.006547 -0.028079 7C 1dx2y2 0.042491 -0.046519 0.136736 0.013907 0.010807 0.089016 7C 1dxy 0.039039 0.123125 -0.167119 -0.203364 0.125044 0.207399 7C 2dz2 -0.062054 -0.042537 -0.144674 0.266751 -0.235590 -0.060405 7C 2dxz 0.075369 0.086704 0.185346 -0.358866 0.299725 0.188629 7C 2dyz 0.004173 -0.006776 0.024413 0.037497 -0.016217 0.099795 7C 2dx2y2 0.019275 0.020646 0.020761 -0.101486 0.093459 0.019508 7C 2dxy 0.070070 0.070496 0.123002 -0.350838 0.257883 0.165909 7C 1f0 -0.006485 -0.083328 0.137229 0.148101 -0.069725 -0.098767 7C 1f+1 -0.004790 0.057995 -0.119144 -0.143484 0.070589 0.049750 7C 1f-1 -0.003354 0.047733 -0.106969 -0.054396 0.008377 0.073928 7C 1f+2 0.043416 0.073643 -0.056902 -0.152249 0.091062 0.129234 7C 1f-2 0.030954 -0.014286 0.116660 -0.012327 0.044883 0.025224 7C 1f+3 0.113203 -0.044395 0.282520 -0.089507 0.137584 0.096174 7C 1f-3 0.061829 0.038819 0.061515 -0.084262 0.075110 0.115263 8C 1s -0.000108 0.000267 -0.000035 0.000233 0.000195 0.000305 8C 2s -0.000020 0.000162 0.000112 0.000171 -0.000002 0.000684 8C 3s -0.006818 0.014253 -0.003651 0.015233 0.022071 -0.025000 8C 4s 0.023021 -0.055252 -0.012262 -0.053693 -0.071462 0.164180 8C 5s -0.005025 0.121380 -0.076634 0.110687 0.073723 -0.078640 8C 1pz 0.000167 0.007543 -0.002958 0.004117 0.001467 0.005127 8C 1px 0.018922 0.003453 0.008437 -0.009006 -0.017558 -0.015410 8C 1py 0.005569 0.003130 0.001988 -0.001567 -0.004456 -0.004823 8C 2pz -0.005670 -0.073998 0.037780 -0.039457 -0.019555 -0.125574 8C 2px -0.179517 -0.055942 -0.064440 0.060199 0.138237 0.170597 8C 2py -0.081867 -0.043727 -0.054319 0.030522 0.074065 0.157663 8C 3pz -0.021678 -0.036513 -0.016600 -0.029493 -0.027477 0.000252 8C 3px -0.070285 -0.044715 -0.008348 0.093394 0.074941 -0.011937 8C 3py -0.039764 -0.016266 -0.024143 0.041681 0.012937 -0.019444 8C 1dz2 0.001990 -0.012745 0.003980 -0.015147 -0.015236 -0.006168 8C 1dxz -0.013015 0.009691 -0.008972 0.026788 0.033034 0.025472 8C 1dyz -0.007278 0.014836 -0.006314 0.021030 0.024468 0.005706 8C 1dx2y2 -0.011779 0.004548 -0.003976 0.024933 0.030743 0.016936 8C 1dxy 0.018307 -0.014945 0.012227 -0.039018 -0.047883 -0.022602 8C 2dz2 0.053414 0.058066 0.018624 -0.004275 -0.032423 -0.005833 8C 2dxz -0.073774 0.000408 -0.044243 0.071616 0.123885 0.119987 8C 2dyz 0.002110 0.028159 -0.002847 0.031057 0.035053 0.007888 8C 2dx2y2 0.051280 0.011784 0.027729 -0.028805 -0.029741 -0.047036 8C 2dxy -0.110753 -0.099822 -0.026466 -0.004101 0.030337 0.014793 8C 1f0 -0.041283 -0.032078 -0.019943 0.007798 0.019639 0.010575 8C 1f+1 0.035918 0.053769 0.010100 0.011056 -0.000411 -0.005244 8C 1f-1 0.024451 0.012093 0.013251 -0.016956 -0.024750 -0.003142 8C 1f+2 0.033653 -0.001605 0.022573 -0.038114 -0.052944 -0.016560 8C 1f-2 -0.035994 -0.031797 -0.015041 0.016800 0.030728 0.015034 8C 1f+3 -0.033777 -0.063456 -0.006483 -0.035655 -0.029831 -0.025287 8C 1f-3 0.010879 -0.025388 0.012142 -0.048507 -0.059840 -0.057217 9C 1s 0.000155 -0.000051 0.000147 -0.000283 0.000272 0.000026 9C 2s -0.000054 -0.000107 0.000039 -0.000062 0.000149 -0.001070 9C 3s 0.020399 0.004259 0.009725 -0.025459 0.018857 0.128051 9C 4s -0.083034 -0.012470 -0.040612 0.067101 -0.047671 -0.636988 9C 5s 0.090857 0.070440 0.163380 -0.180762 0.077645 0.363400 9C 1pz 0.001256 0.004169 -0.003064 -0.007557 0.002011 -0.007100 9C 1px -0.009172 -0.006165 -0.002764 0.015473 -0.011154 -0.013683 9C 1py -0.001463 -0.004242 0.008469 0.005998 0.000769 -0.012251 9C 2pz -0.024435 -0.041835 0.048686 0.122121 -0.062519 0.172413 9C 2px 0.097297 0.050502 0.016726 -0.112938 0.077009 0.190085 9C 2py 0.010533 0.040897 -0.095243 -0.023599 -0.036875 0.227773 9C 3pz 0.006877 -0.023722 0.011641 0.040617 -0.037649 -0.042146 9C 3px -0.020568 -0.016063 -0.009974 -0.072076 0.085297 0.003708 9C 3py -0.030080 0.014751 -0.077483 0.001191 0.026107 -0.042375 9C 1dz2 -0.005964 -0.010186 -0.000605 0.030566 -0.021984 -0.020105 9C 1dxz 0.014394 0.009447 0.017198 -0.053988 0.043943 0.020169 9C 1dyz -0.003637 0.000116 -0.007415 0.003503 -0.004404 -0.012216 9C 1dx2y2 -0.003686 -0.005202 0.002933 0.003560 -0.001096 -0.006264 9C 1dxy 0.010547 0.009421 0.011989 -0.039471 0.033093 0.016782 9C 2dz2 -0.003759 0.027996 -0.067334 -0.041063 0.017485 -0.025995 9C 2dxz 0.023985 0.001030 0.077194 -0.050486 0.057729 -0.017786 9C 2dyz -0.009841 -0.031459 0.038543 0.045017 -0.014749 -0.102609 9C 2dx2y2 -0.041142 -0.028299 -0.004440 0.110118 -0.070772 -0.060113 9C 2dxy -0.009187 0.024502 -0.059791 -0.045599 -0.000374 0.004503 9C 1f0 0.027682 0.006272 0.044238 -0.046281 0.041815 0.037441 9C 1f+1 -0.019401 0.008437 -0.053555 0.023087 -0.030638 -0.020017 9C 1f-1 -0.002485 0.011101 -0.023053 -0.023077 0.011059 0.023069 9C 1f+2 -0.021293 -0.000224 -0.039989 0.027881 -0.028898 -0.022836 9C 1f-2 -0.005459 -0.024158 0.017819 0.058772 -0.038238 -0.018115 9C 1f+3 -0.001309 -0.021804 0.037853 0.049213 -0.026098 -0.025045 9C 1f-3 0.007993 -0.004409 0.027225 -0.010913 0.014150 -0.009779 10H 1s -0.027900 0.013276 0.023379 -0.047190 0.035644 -0.031315 10H 2s -0.088025 0.054436 0.027086 -0.201515 0.147905 -0.152510 10H 3s 0.039816 -0.008650 -0.029721 0.024561 0.003635 0.077733 10H 1pz -0.024966 0.020600 -0.000467 -0.064365 0.044287 -0.056601 10H 1px 0.024967 -0.009990 -0.021157 0.046466 -0.036762 0.029348 10H 1py -0.012960 0.009945 0.004776 -0.027854 0.024289 -0.029414 11H 1s -0.001689 -0.003784 0.004254 0.005614 -0.006835 -0.013002 11H 2s 0.028111 0.010397 -0.093304 -0.004430 -0.031289 -0.012117 11H 3s 0.016159 0.010878 -0.030223 0.045945 -0.011309 0.058424 11H 1pz 0.009042 0.011838 -0.039717 -0.007523 -0.007585 -0.013404 11H 1px 0.004118 -0.003362 -0.006955 0.009917 -0.008799 -0.005111 11H 1py 0.007082 0.005594 -0.014731 0.002888 -0.003519 0.005717 12H 1s 0.011106 -0.003836 -0.010304 0.014049 -0.008121 0.006910 12H 2s 0.025375 -0.067595 0.077636 0.115365 -0.033922 0.107359 12H 3s -0.014637 -0.021705 0.015490 0.018687 -0.048708 0.024287 12H 1pz -0.008032 -0.020516 0.043038 0.020774 -0.006311 0.005591 12H 1px 0.006142 -0.008459 0.001999 0.020134 -0.010676 0.007206 12H 1py 0.006612 -0.024480 0.026654 0.036372 -0.013201 0.027040 13H 1s 0.009238 0.030659 -0.013374 0.030484 0.037733 -0.028662 13H 2s 0.113225 0.029275 -0.063017 0.126992 0.186120 -0.203532 13H 3s 0.014913 -0.035073 0.009538 0.016046 -0.013607 0.042401 13H 1pz 0.028404 0.015637 -0.018182 0.040550 0.051607 -0.050454 13H 1px -0.001957 -0.022414 0.005923 -0.018989 -0.026298 0.026916 13H 1py -0.048052 0.008150 0.022191 -0.033135 -0.052009 0.036028 14H 1s 0.001576 -0.010048 -0.002129 -0.011787 -0.018730 0.032289 14H 2s -0.138320 0.067916 0.049758 -0.059341 -0.138145 0.121762 14H 3s -0.030833 0.012212 0.026651 -0.049901 -0.009315 -0.048147 14H 1pz -0.036125 0.023241 0.012234 -0.014985 -0.030418 0.028316 14H 1px -0.030657 0.008125 0.011145 -0.021470 -0.040173 0.039285 14H 1py 0.053599 -0.040692 -0.020717 0.012016 0.027199 -0.019263 15H 1s -0.006571 0.003232 0.003584 -0.004040 -0.002820 0.010768 15H 2s 0.052733 -0.073688 -0.002064 -0.015823 0.016475 0.002516 15H 3s 0.011030 -0.026224 -0.000686 -0.008802 -0.033631 -0.030442 15H 1pz 0.011401 -0.009842 -0.004540 0.001653 0.002461 -0.003518 15H 1px -0.003881 -0.004247 0.002385 -0.006150 -0.010874 0.012907 15H 1py -0.025898 0.031212 0.003544 0.001670 -0.010392 0.004891 16H 1s 0.008165 -0.004291 -0.011422 0.001379 -0.025745 0.010400 16H 2s 0.027895 0.032312 0.026343 0.011403 -0.019350 0.070956 16H 3s -0.000896 -0.002798 -0.002566 0.013712 -0.008451 -0.002713 16H 1pz 0.015289 0.001541 -0.000448 0.001675 -0.022233 0.023896 16H 1px -0.006173 0.008785 0.002447 0.009162 -0.011586 -0.015708 16H 1py 0.001878 0.005093 -0.006584 -0.000059 -0.009967 -0.011305 17H 1s -0.001670 0.002163 -0.007349 -0.011536 0.027738 -0.018539 17H 2s 0.011317 -0.000574 0.035609 -0.000615 -0.013974 0.050341 17H 3s -0.010722 0.001061 -0.001461 0.011378 0.009196 -0.009800 17H 1pz 0.001775 -0.004665 -0.007270 0.001089 -0.014249 0.009444 17H 1px -0.000185 -0.002739 0.007629 0.018230 0.001688 0.000675 17H 1py -0.004592 -0.007522 -0.000458 -0.006476 0.011567 -0.026277 18H 1s 0.001811 0.002118 -0.006893 -0.012176 0.028447 0.018741 18H 2s -0.012895 -0.002154 0.035402 0.000013 -0.016114 -0.048718 18H 3s 0.010870 0.000932 -0.001517 0.011031 0.008970 0.010266 18H 1pz 0.001368 0.004227 0.007572 -0.001538 0.014360 0.010299 18H 1px 0.000061 0.002510 -0.007491 -0.018241 -0.002358 0.001495 18H 1py -0.004680 0.007698 0.000547 0.006642 -0.011272 -0.026508 19H 1s -0.007324 -0.004448 -0.011719 0.001818 -0.024898 -0.011113 19H 2s -0.029537 0.031275 0.025824 0.011210 -0.021469 -0.071777 19H 3s 0.000652 -0.002701 -0.002546 0.013773 -0.008628 0.002315 19H 1pz 0.014912 -0.000967 0.000991 -0.001597 0.022353 0.024785 19H 1px -0.006068 -0.008767 -0.003011 -0.009357 0.011060 -0.015975 19H 1py 0.001953 -0.005466 0.006606 -0.000225 0.010610 -0.010112 20H 1s 0.006556 0.003312 0.003924 -0.004228 -0.002915 -0.010640 20H 2s -0.052398 -0.077267 -0.003431 -0.016872 0.016554 -0.003130 20H 3s -0.010506 -0.027482 -0.001282 -0.008839 -0.034329 0.030317 20H 1pz 0.011222 0.010370 0.005075 -0.001702 -0.002431 -0.003433 20H 1px -0.003664 0.004765 -0.002509 0.006199 0.010682 0.013105 20H 1py -0.025725 -0.032716 -0.004439 -0.002010 0.010389 0.004939 21H 1s -0.001069 -0.010474 -0.002149 -0.011342 -0.018333 -0.031990 21H 2s 0.135604 0.069598 0.054667 -0.057093 -0.135676 -0.121372 21H 3s 0.029530 0.013126 0.027895 -0.050364 -0.009647 0.047378 21H 1pz -0.035448 -0.023971 -0.013473 0.014429 0.029979 0.028273 21H 1px -0.030192 -0.008230 -0.012225 0.020816 0.039332 0.038972 21H 1py 0.051870 0.041730 0.022409 -0.011732 -0.026693 -0.019126 22H 1s -0.009890 0.031473 -0.014156 0.030636 0.037642 0.029715 22H 2s -0.111651 0.032423 -0.067624 0.126993 0.184211 0.206453 22H 3s -0.013984 -0.036401 0.010079 0.015596 -0.013384 -0.043436 22H 1pz 0.027960 -0.016524 0.019289 -0.040356 -0.050809 -0.051107 22H 1px -0.002752 0.023008 -0.006385 0.019239 0.026423 0.027792 22H 1py -0.046847 -0.007517 -0.023867 0.033130 0.051539 0.036824 23H 1s -0.010446 -0.003709 -0.010693 0.013501 -0.007782 -0.006134 23H 2s -0.025919 -0.062962 0.080058 0.112724 -0.031254 -0.103683 23H 3s 0.014375 -0.020706 0.015880 0.019906 -0.049143 -0.026115 23H 1pz -0.006966 0.018486 -0.044040 -0.020299 0.005848 0.005352 23H 1px 0.005840 0.007702 -0.001791 -0.019397 0.010336 0.006568 23H 1py 0.006748 0.022930 -0.027664 -0.035487 0.012257 0.025800 24H 1s 0.001615 -0.003422 0.004471 0.005809 -0.007054 0.012742 24H 2s -0.025742 0.008010 -0.098492 -0.003291 -0.033284 0.008393 24H 3s -0.015739 0.010317 -0.031982 0.047080 -0.011407 -0.057769 24H 1pz 0.008141 -0.010813 0.041907 0.007163 0.008217 -0.012527 24H 1px 0.003867 0.003303 0.007640 -0.009955 0.009144 -0.004779 24H 1py 0.006914 -0.005288 0.016100 -0.002790 0.003625 0.005362 25H 1s 0.026778 0.013405 0.023806 -0.047674 0.035651 0.032122 25H 2s 0.086690 0.051251 0.030674 -0.201997 0.147777 0.154775 25H 3s -0.038496 -0.010584 -0.029646 0.024885 0.003036 -0.079165 25H 1pz -0.024983 -0.019109 -0.000957 0.064731 -0.044396 -0.057177 25H 1px 0.023980 0.010053 0.021569 -0.046727 0.036719 0.030106 25H 1py -0.012511 -0.009188 -0.005612 0.027326 -0.023873 -0.029487 26O 1s 0.002020 -0.001257 -0.002237 0.007985 -0.006883 0.005628 26O 2s 0.008818 -0.005535 -0.008295 0.029517 -0.025018 0.023299 26O 3s -0.140885 0.089496 0.115035 -0.407670 0.338684 -0.352391 26O 4s 0.408400 -0.262086 -0.337451 1.137524 -0.933155 0.958066 26O 5s 0.132735 -0.150269 -0.238975 0.643267 -0.518579 0.225579 26O 1pz 0.012526 -0.027253 0.030860 -0.000629 0.001641 0.052095 26O 1px 0.034951 -0.040466 -0.015614 0.106152 -0.086282 0.091184 26O 1py 0.038388 0.007658 -0.057010 0.036209 -0.017553 0.049950 26O 2pz -0.067491 0.118764 -0.077616 -0.128362 0.086935 -0.193085 26O 2px -0.243488 0.231095 0.159221 -0.709719 0.560743 -0.548349 26O 2py -0.196767 0.022584 0.276874 -0.311924 0.235162 -0.264176 26O 3pz 0.017496 -0.104255 -0.044423 0.010775 -0.027626 -0.012242 26O 3px -0.096742 -0.002713 0.086675 -0.327443 0.262514 -0.247062 26O 3py 0.004962 -0.005009 -0.039432 -0.052899 0.173311 -0.121691 26O 1dz2 -0.034404 0.035652 -0.044734 0.041698 -0.001289 -0.118055 26O 1dxz 0.010728 -0.042831 0.141068 0.008998 0.057199 0.149420 26O 1dyz -0.019355 -0.053224 0.020991 0.157023 -0.140989 -0.057525 26O 1dx2y2 -0.016486 -0.069366 0.123149 0.148192 -0.038844 0.040599 26O 1dxy 0.077346 0.057316 -0.221646 0.026984 -0.082426 0.058332 26O 2dz2 -0.035718 0.017047 0.049174 -0.133102 0.087207 -0.056482 26O 2dxz 0.027027 -0.044254 -0.014088 0.123005 -0.107649 0.053002 26O 2dyz 0.027653 -0.004733 0.002517 0.004861 0.010594 0.088299 26O 2dx2y2 0.041353 -0.049535 0.007786 0.078252 -0.069554 0.121838 26O 2dxy 0.077604 -0.035581 -0.068740 0.153445 -0.125997 0.145385 26O 1f0 -0.005384 -0.069712 0.137745 0.155041 -0.050051 0.120878 26O 1f+1 0.047339 -0.037428 0.014687 0.134453 -0.077407 0.092487 26O 1f-1 0.029053 0.022101 -0.125651 0.103182 -0.103427 -0.029141 26O 1f+2 -0.002313 0.075742 -0.051788 -0.119040 0.110383 -0.070314 26O 1f-2 -0.019631 0.061940 -0.093011 -0.073523 0.043230 -0.173706 26O 1f+3 -0.047928 -0.152486 0.311113 0.092166 0.001539 0.067307 26O 1f-3 0.147825 0.001854 -0.213755 0.107305 -0.139737 0.224695 27O 1s -0.001387 -0.003553 0.000860 -0.006775 -0.007680 0.004666 27O 2s -0.006048 -0.012887 0.004171 -0.024552 -0.028259 0.018656 27O 3s 0.093657 0.176284 -0.072896 0.331241 0.388259 -0.283095 27O 4s -0.234760 -0.513899 0.225626 -0.908929 -1.079449 0.800776 27O 5s -0.144729 -0.303744 0.161559 -0.501071 -0.574666 0.495898 27O 1pz 0.037623 -0.038228 -0.012281 0.029538 0.020377 -0.026950 27O 1px -0.036298 -0.057733 0.025723 -0.083365 -0.100460 0.048487 27O 1py 0.049384 -0.032123 -0.027136 0.013958 0.014289 -0.033136 27O 2pz -0.131191 0.160626 0.037917 -0.059753 -0.052462 0.086873 27O 2px 0.196348 0.384416 -0.180807 0.582669 0.696240 -0.457510 27O 2py -0.217781 0.049808 0.126495 -0.168910 -0.211617 0.223643 27O 3pz 0.028234 -0.076986 0.017539 0.030219 -0.087946 0.008009 27O 3px 0.028781 0.123571 -0.034663 0.278188 0.313204 -0.391269 27O 3py 0.028357 0.009842 -0.087307 0.021483 -0.050271 -0.020793 27O 1dz2 -0.073406 0.122118 0.025194 0.042525 0.080671 -0.037974 27O 1dxz 0.235971 -0.199849 -0.066657 0.019788 0.129892 -0.043691 27O 1dyz 0.014960 0.108194 -0.007035 0.156983 0.129503 0.037823 27O 1dx2y2 0.011283 -0.057491 0.015456 -0.050697 -0.006121 0.046311 27O 1dxy 0.160563 -0.138354 -0.061215 0.039623 0.107098 -0.114387 27O 2dz2 0.050167 0.033137 -0.036692 0.091018 0.084794 -0.095061 27O 2dxz 0.013085 -0.053660 -0.001535 -0.023031 -0.034995 -0.022041 27O 2dyz -0.027486 -0.015910 0.006695 -0.060049 -0.052834 -0.016909 27O 2dx2y2 -0.037200 -0.092823 0.032634 -0.114287 -0.152673 0.093899 27O 2dxy 0.068475 0.032557 -0.041958 0.115926 0.142194 -0.118922 27O 1f0 0.199687 -0.196509 -0.062249 0.027327 0.094051 -0.086564 27O 1f+1 0.069693 -0.155838 -0.012289 -0.099769 -0.065482 0.142205 27O 1f-1 0.011921 0.016494 -0.011025 0.072219 0.027815 -0.062784 27O 1f+2 -0.231127 0.284241 0.079249 0.045086 -0.014351 0.120381 27O 1f-2 0.052159 -0.056580 -0.020892 0.061596 0.069827 -0.078343 27O 1f+3 0.039171 -0.166825 0.010174 -0.086807 -0.087019 0.052012 27O 1f-3 0.291484 -0.142772 -0.114384 0.153099 0.262993 -0.136893 28O 1s -0.001707 0.000963 0.002432 -0.007361 0.006441 -0.003740 28O 2s -0.007480 0.004501 0.008774 -0.027022 0.023131 -0.014511 28O 3s 0.121182 -0.075785 -0.118152 0.365706 -0.305373 0.218483 28O 4s -0.349262 0.223515 0.340968 -0.979863 0.803799 -0.625654 28O 5s -0.154960 0.151617 0.162598 -0.480942 0.397396 -0.528656 28O 1pz -0.021696 0.036352 -0.005426 -0.052175 0.043283 0.003220 28O 1px 0.027160 -0.013822 -0.041881 0.083872 -0.065856 0.023742 28O 1py -0.021085 -0.008588 0.036261 0.003051 -0.016565 0.006978 28O 2pz 0.171407 -0.192640 -0.066529 0.449835 -0.352210 0.217702 28O 2px -0.188925 0.113302 0.226659 -0.493328 0.395066 -0.269650 28O 2py 0.098033 0.008202 -0.161428 0.054578 -0.021378 0.044329 28O 3pz 0.057773 0.070400 -0.055479 0.145654 -0.094219 0.214950 28O 3px -0.098482 0.071107 0.083754 -0.224285 0.217137 -0.381234 28O 3py -0.036347 -0.000531 0.048859 -0.060059 -0.066338 -0.019735 28O 1dz2 0.005722 0.008487 -0.055251 -0.085198 -0.005073 -0.028637 28O 1dxz 0.032001 -0.062348 0.080911 0.071220 -0.046193 0.074891 28O 1dyz -0.026821 -0.001965 0.133337 -0.102218 0.149131 -0.041884 28O 1dx2y2 -0.033620 -0.030466 0.134810 -0.070874 0.055504 -0.022888 28O 1dxy 0.058003 0.064004 -0.150283 -0.149116 0.066167 -0.007599 28O 2dz2 -0.020820 0.032954 -0.007559 -0.062814 0.068792 -0.037756 28O 2dxz 0.071153 -0.049276 -0.062929 0.188181 -0.142168 0.103827 28O 2dyz -0.031666 0.004340 0.016243 -0.005749 -0.009586 -0.041280 28O 2dx2y2 -0.033809 0.026904 0.005534 -0.037891 0.041412 -0.042721 28O 2dxy 0.022650 -0.016445 -0.044440 0.089279 -0.074922 0.034377 28O 1f0 -0.036609 0.027995 -0.008368 -0.058984 0.001814 -0.113533 28O 1f+1 -0.008365 0.111660 -0.157523 -0.248412 0.133173 -0.042604 28O 1f-1 0.027385 -0.002789 -0.012117 -0.052767 0.034026 -0.039532 28O 1f+2 0.084961 -0.047208 -0.060213 0.142531 -0.149385 0.123301 28O 1f-2 -0.069164 -0.043464 0.222063 -0.041360 0.074429 0.017466 28O 1f+3 0.059177 0.017700 -0.073158 0.001391 -0.010414 0.056307 28O 1f-3 -0.074560 -0.065600 0.250454 0.009237 0.064089 -0.003119 29O 1s 0.000684 0.000294 0.000667 0.000260 -0.000109 0.003622 29O 2s 0.001826 0.000835 0.002016 0.000841 -0.000274 0.010808 29O 3s -0.016843 -0.008021 -0.021607 -0.011188 0.001225 -0.119120 29O 4s 0.063690 0.023024 0.056443 0.030331 -0.006620 0.394437 29O 5s -0.178930 -0.056395 -0.102512 -0.035252 0.052764 -0.858779 29O 1pz -0.003206 0.001262 0.000200 -0.003630 0.012202 -0.007735 29O 1px 0.000166 0.002359 0.001526 -0.001767 0.004563 -0.008800 29O 1py -0.003239 -0.000748 0.002437 -0.002728 -0.001299 -0.009773 29O 2pz 0.019345 -0.001542 -0.000214 0.015822 -0.047384 0.043040 29O 2px 0.001402 -0.007673 -0.005839 0.011549 -0.014073 0.023740 29O 2py 0.012343 0.002143 -0.008652 -0.001845 0.000759 0.023495 29O 3pz -0.025227 0.025075 -0.016863 0.009363 -0.018841 -0.121809 29O 3px 0.073399 0.016528 0.006446 -0.019560 -0.016411 0.282437 29O 3py 0.014521 0.023767 0.041014 0.034451 -0.009973 0.064358 29O 1dz2 -0.017626 0.010873 0.007661 0.003584 0.004224 -0.020597 29O 1dxz -0.006417 -0.025920 0.003756 -0.000933 0.014265 0.001336 29O 1dyz -0.010687 -0.008823 0.016267 0.008956 0.029397 -0.006443 29O 1dx2y2 0.000988 -0.003517 0.019302 0.025894 -0.001013 -0.038840 29O 1dxy 0.007060 -0.015756 -0.030382 -0.040303 0.008943 -0.010357 29O 2dz2 0.004715 -0.006177 0.000520 0.000159 0.008376 0.010852 29O 2dxz 0.008423 0.015750 -0.000261 0.006562 -0.014307 0.019565 29O 2dyz -0.002081 0.004057 -0.007368 -0.009921 0.002750 -0.011774 29O 2dx2y2 -0.004206 0.003092 -0.009967 -0.012390 -0.001830 0.007983 29O 2dxy -0.005297 0.007424 0.015326 0.010841 0.000356 -0.003791 29O 1f0 -0.001272 0.003623 -0.006204 -0.001795 -0.001230 -0.018122 29O 1f+1 0.006493 -0.006712 0.005456 0.000131 0.012785 0.019675 29O 1f-1 0.011979 -0.003599 -0.010130 -0.008159 -0.019433 0.024034 29O 1f+2 0.002035 0.011819 -0.004394 -0.005632 -0.006655 0.015764 29O 1f-2 0.005115 -0.004446 -0.003854 -0.016924 0.027971 0.004085 29O 1f+3 0.005037 -0.008774 0.003575 0.004419 0.000907 0.012286 29O 1f-3 0.005327 -0.000682 -0.008747 -0.004377 -0.015234 0.014968 30O 1s 0.001316 0.003059 -0.000855 0.006260 0.007170 -0.004883 30O 2s 0.005945 0.010886 -0.004102 0.022649 0.026360 -0.019925 30O 3s -0.095155 -0.142723 0.069761 -0.301875 -0.357275 0.297552 30O 4s 0.229703 0.408270 -0.198620 0.806827 0.955074 -0.790823 30O 5s 0.184803 0.236450 -0.107057 0.417703 0.500924 -0.213320 30O 1pz -0.014901 0.048823 0.003511 0.017963 0.038794 -0.060991 30O 1px -0.034301 -0.028434 0.019919 -0.069299 -0.079904 0.036589 30O 1py -0.061115 0.011560 0.037287 -0.034976 -0.039521 0.039437 30O 2pz 0.010949 -0.259623 0.032317 -0.230743 -0.306462 0.328710 30O 2px 0.164659 0.174084 -0.119746 0.377866 0.450501 -0.279417 30O 2py 0.281695 0.052224 -0.179876 0.301028 0.369866 -0.260057 30O 3pz -0.055934 -0.002301 -0.014183 -0.171634 -0.054578 0.105007 30O 3px 0.027647 0.128849 -0.026237 0.183079 0.236259 -0.220285 30O 3py -0.032906 0.040918 0.099772 0.051551 0.103579 -0.188511 30O 1dz2 -0.153786 0.059640 0.045909 -0.047491 -0.156488 -0.059613 30O 1dxz 0.180531 -0.179553 -0.060172 -0.011248 0.021723 0.066140 30O 1dyz -0.046944 -0.063901 0.028017 -0.156062 -0.149571 0.040106 30O 1dx2y2 0.040974 0.004360 -0.015753 0.052714 0.024107 0.026205 30O 1dxy 0.153509 -0.157977 -0.070436 -0.029406 0.021934 -0.124259 30O 2dz2 -0.032360 0.037183 0.024954 0.005823 0.024799 0.009966 30O 2dxz -0.049579 -0.041865 0.030427 -0.094693 -0.106239 0.102624 30O 2dyz -0.025605 -0.033521 0.022776 -0.054474 -0.082179 0.136703 30O 2dx2y2 -0.030169 -0.002485 0.015375 -0.042509 -0.032857 -0.006618 30O 2dxy 0.077670 0.057055 -0.044806 0.132790 0.163514 -0.070555 30O 1f0 0.047062 0.016482 -0.040682 0.024110 0.030878 -0.107976 30O 1f+1 -0.292292 0.286114 0.108601 0.034369 -0.058951 -0.044704 30O 1f-1 -0.072908 0.054970 0.052204 -0.013018 0.020182 -0.133113 30O 1f+2 0.132235 -0.144961 -0.047855 -0.017716 0.010196 -0.033924 30O 1f-2 -0.052682 -0.105734 0.039314 -0.168382 -0.174526 0.182070 30O 1f+3 0.148405 -0.034338 -0.066884 0.114368 0.174235 -0.032296 30O 1f-3 -0.196467 0.126317 0.078975 -0.071221 -0.156628 0.136544 31O 1s -0.001405 0.003105 -0.000933 0.006231 0.007108 0.004948 31O 2s -0.006219 0.011090 -0.004436 0.022530 0.026113 0.020162 31O 3s 0.098109 -0.145940 0.074922 -0.299974 -0.353519 -0.300797 31O 4s -0.238022 0.417120 -0.211890 0.801026 0.944566 0.799446 31O 5s -0.189195 0.237896 -0.114387 0.413235 0.494272 0.221373 31O 1pz -0.013234 -0.050556 -0.003743 -0.017749 -0.038679 -0.061307 31O 1px -0.034817 0.028664 -0.021277 0.069063 0.079262 0.037243 31O 1py -0.059472 -0.011481 -0.039389 0.034750 0.038747 0.039522 31O 2pz 0.003468 0.267276 -0.033922 0.228718 0.303946 0.331697 31O 2px 0.167421 -0.176664 0.127132 -0.375615 -0.445958 -0.283600 31O 2py 0.277637 -0.053991 0.190479 -0.298610 -0.364575 -0.262500 31O 3pz -0.056516 0.001263 0.010587 0.170325 0.052043 0.108231 31O 3px 0.031124 -0.131251 0.028885 -0.180398 -0.232675 -0.223609 31O 3py -0.028019 -0.042267 -0.099648 -0.050330 -0.101613 -0.191668 31O 1dz2 0.150962 0.062908 0.050406 -0.047328 -0.155512 0.058740 31O 1dxz -0.173878 -0.185096 -0.064895 -0.011513 0.021296 -0.066947 31O 1dyz 0.048810 -0.064038 0.029888 -0.155583 -0.148692 -0.041638 31O 1dx2y2 -0.041190 0.003297 -0.016993 0.052656 0.024032 -0.025919 31O 1dxy -0.146607 -0.159991 -0.075476 -0.030335 0.020352 0.123764 31O 2dz2 0.030120 0.037665 0.025999 0.005952 0.025333 -0.009575 31O 2dxz 0.050246 -0.043024 0.032597 -0.093941 -0.105031 -0.103678 31O 2dyz 0.025903 -0.035475 0.024485 -0.053693 -0.080874 -0.137412 31O 2dx2y2 0.029825 -0.002110 0.016333 -0.042402 -0.032543 0.006463 31O 2dxy -0.078163 0.057897 -0.047921 0.132138 0.161797 0.072027 31O 1f0 0.045537 -0.018758 0.042927 -0.023829 -0.029454 -0.108177 31O 1f+1 -0.280673 -0.293718 -0.117028 -0.034940 0.057249 -0.045664 31O 1f-1 -0.068574 -0.057444 -0.053998 0.013245 -0.021018 -0.133657 31O 1f+2 0.126649 0.148279 0.051525 0.017805 -0.009775 -0.033480 31O 1f-2 -0.054989 0.109076 -0.042266 0.167660 0.172862 0.183763 31O 1f+3 0.145638 0.036276 0.071478 -0.114029 -0.172856 -0.033187 31O 1f-3 -0.191397 -0.128786 -0.085934 0.069835 0.154615 0.137040 32O 1s -0.000719 0.000261 0.000667 0.000285 -0.000110 -0.003608 32O 2s -0.001933 0.000748 0.002021 0.000918 -0.000272 -0.010763 32O 3s 0.018004 -0.007236 -0.021762 -0.012084 0.000991 0.118601 32O 4s -0.066716 0.020197 0.056974 0.033035 -0.004937 -0.393181 32O 5s 0.184207 -0.048231 -0.102840 -0.039795 0.050305 0.857274 32O 1pz -0.002979 -0.001332 -0.000356 0.003854 -0.012167 -0.007924 32O 1px 0.000310 -0.002308 -0.001607 0.001836 -0.004583 -0.008804 32O 1py -0.003189 0.000636 -0.002486 0.002773 0.001217 -0.009904 32O 2pz 0.018475 0.001858 0.001169 -0.016624 0.047268 0.044511 32O 2px 0.000802 0.007420 0.006201 -0.011797 0.013720 0.024031 32O 2py 0.012329 -0.001657 0.008943 0.001654 0.000259 0.024355 32O 3pz -0.025241 -0.026187 0.016827 -0.008092 0.019620 -0.121745 32O 3px 0.073720 -0.013937 -0.006345 0.018279 0.014345 0.282271 32O 3py 0.016938 -0.022986 -0.041146 -0.035056 0.011035 0.063767 32O 1dz2 0.016398 0.011767 0.007833 0.003479 0.003279 0.020042 32O 1dxz 0.006851 -0.025349 0.003771 -0.000013 0.014025 -0.000966 32O 1dyz 0.010731 -0.008976 0.017086 0.009489 0.029766 0.009429 32O 1dx2y2 -0.001767 -0.003155 0.019168 0.026130 -0.001858 0.038930 32O 1dxy -0.005575 -0.016257 -0.030552 -0.040196 0.008516 0.010574 32O 2dz2 -0.004710 -0.006596 0.000691 0.000495 0.008256 -0.010846 32O 2dxz -0.008793 0.015394 -0.000429 0.006525 -0.014322 -0.020341 32O 2dyz 0.002024 0.004229 -0.007165 -0.010198 0.002830 0.011092 32O 2dx2y2 0.004435 0.003059 -0.009964 -0.012356 -0.002004 -0.008497 32O 2dxy 0.004455 0.007633 0.015565 0.010834 0.000068 0.003585 32O 1f0 -0.001992 -0.003910 0.005358 0.001378 -0.000347 -0.018637 32O 1f+1 0.006406 0.006693 -0.005291 -0.000557 -0.011703 0.019701 32O 1f-1 0.011324 0.003422 0.010918 0.008254 0.018975 0.024026 32O 1f+2 0.001763 -0.012141 0.003859 0.004961 0.007085 0.015137 32O 1f-2 0.005097 0.004435 0.003620 0.017440 -0.028595 0.004300 32O 1f+3 0.004953 0.008887 -0.003336 -0.004118 -0.002267 0.012155 32O 1f-3 0.004982 0.001178 0.008840 0.003933 0.015164 0.015040 33O 1s 0.001578 0.000928 0.002472 -0.007363 0.006399 0.003764 33O 2s 0.007000 0.004341 0.008957 -0.027025 0.022967 0.014600 33O 3s -0.114492 -0.073286 -0.121148 0.365671 -0.302964 -0.219667 33O 4s 0.329709 0.218079 0.349178 -0.979411 0.797079 0.628589 33O 5s 0.144533 0.146956 0.166273 -0.481692 0.392493 0.528229 33O 1pz -0.020870 -0.034256 0.005500 0.051791 -0.042686 0.003206 33O 1px 0.025289 0.013463 0.043054 -0.083881 0.065734 0.024162 33O 1py -0.020316 0.007390 -0.037860 -0.002927 0.016256 0.006679 33O 2pz 0.163266 0.183478 0.068547 -0.448333 0.348319 0.217849 33O 2px -0.177650 -0.111356 -0.232987 0.493615 -0.393204 -0.272007 33O 2py 0.093460 -0.004176 0.168122 -0.055440 0.022452 0.046076 33O 3pz 0.057296 -0.068943 0.056586 -0.145729 0.091122 0.214091 33O 3px -0.092984 -0.070320 -0.085026 0.225344 -0.213836 -0.381576 33O 3py -0.034967 -0.001111 -0.051473 0.059841 0.065277 -0.019289 33O 1dz2 -0.004063 0.005851 -0.057464 -0.085127 -0.005947 0.027590 33O 1dxz -0.033183 -0.058276 0.083605 0.070734 -0.044548 -0.074446 33O 1dyz 0.021699 0.000465 0.136490 -0.102953 0.149821 0.043217 33O 1dx2y2 0.029735 -0.027405 0.139119 -0.071803 0.056362 0.024005 33O 1dxy -0.054765 0.056067 -0.156128 -0.147792 0.065035 0.005856 33O 2dz2 0.019728 0.030804 -0.007917 -0.062191 0.067717 0.037305 33O 2dxz -0.067560 -0.047247 -0.065103 0.188199 -0.141150 -0.104353 33O 2dyz 0.031403 0.004988 0.017470 -0.006078 -0.009694 0.041710 33O 2dx2y2 0.032902 0.025983 0.005918 -0.037728 0.040795 0.042971 33O 2dxy -0.020801 -0.016183 -0.045731 0.089468 -0.075089 -0.035081 33O 1f0 -0.037451 -0.027769 0.007563 0.059699 -0.002271 -0.114378 33O 1f+1 -0.010543 -0.101312 0.163456 0.247093 -0.130410 -0.040940 33O 1f-1 0.027516 0.003138 0.013553 0.052703 -0.034122 -0.038941 33O 1f+2 0.081096 0.045565 0.062245 -0.143142 0.148527 0.124040 33O 1f-2 -0.062979 0.037085 -0.228665 0.042600 -0.075775 0.014878 33O 1f+3 0.057062 -0.016025 0.076569 -0.001911 0.010392 0.056922 33O 1f-3 -0.067390 0.057179 -0.258248 -0.007884 -0.065685 -0.005513 34O 1s 0.001494 -0.003614 0.000946 -0.006750 -0.007625 -0.004754 34O 2s 0.006396 -0.013148 0.004534 -0.024443 -0.028029 -0.018968 34O 3s -0.097818 0.180542 -0.078440 0.329550 0.384788 0.287166 34O 4s 0.246648 -0.526746 0.240307 -0.904619 -1.070417 -0.811990 34O 5s 0.151302 -0.308933 0.169262 -0.500133 -0.569537 -0.498826 34O 1pz 0.036586 0.039575 0.013433 -0.029475 -0.020354 -0.027111 34O 1px -0.037374 0.059120 -0.027498 0.082872 0.099495 0.049404 34O 1py 0.047698 0.032347 0.028991 -0.013554 -0.013731 -0.033099 34O 2pz -0.127043 -0.165586 -0.041960 0.059420 0.052528 0.087192 34O 2px 0.203864 -0.393969 0.191439 -0.579771 -0.690021 -0.463786 34O 2py -0.213457 -0.049303 -0.135055 0.167244 0.208858 0.224922 34O 3pz 0.026055 0.079170 -0.017153 -0.030231 0.088066 0.007713 34O 3px 0.032970 -0.127106 0.038076 -0.277157 -0.309139 -0.394111 34O 3py 0.025254 -0.009365 0.088178 -0.021130 0.050206 -0.019747 34O 1dz2 0.068704 0.124742 0.026704 0.042510 0.080630 0.038941 34O 1dxz -0.229927 -0.205660 -0.073605 0.019106 0.129374 0.043876 34O 1dyz -0.018057 0.108398 -0.006840 0.157673 0.129582 -0.036515 34O 1dx2y2 -0.010998 -0.059925 0.015547 -0.050263 -0.004894 -0.046513 34O 1dxy -0.155709 -0.141103 -0.066792 0.038440 0.105670 0.114563 34O 2dz2 -0.050013 0.034679 -0.038965 0.090348 0.083467 0.095824 34O 2dxz -0.011749 -0.054561 -0.001966 -0.023142 -0.034819 0.021691 34O 2dyz 0.028136 -0.015198 0.007206 -0.060302 -0.053019 0.016426 34O 2dx2y2 0.039207 -0.095193 0.034857 -0.113666 -0.151225 -0.095242 34O 2dxy -0.068726 0.033702 -0.045079 0.115193 0.140873 0.120125 34O 1f0 0.193609 0.201476 0.068235 -0.026749 -0.093581 -0.086585 34O 1f+1 0.065142 0.161695 0.013060 0.098920 0.064256 0.143313 34O 1f-1 0.012400 -0.017137 0.011811 -0.071722 -0.027351 -0.063186 34O 1f+2 -0.221470 -0.289491 -0.086705 -0.046342 0.013223 0.119520 34O 1f-2 0.051558 0.058731 0.022522 -0.061476 -0.070311 -0.078707 34O 1f+3 0.035886 0.171583 -0.009729 0.086713 0.085694 0.053137 34O 1f-3 0.285341 0.146495 0.124741 -0.151080 -0.259852 -0.138060 35O 1s -0.001898 -0.001209 -0.002284 0.008007 -0.006850 -0.005657 35O 2s -0.008354 -0.005326 -0.008515 0.029604 -0.024895 -0.023417 35O 3s 0.134316 0.086227 0.118654 -0.408969 0.336949 0.354362 35O 4s -0.389351 -0.253901 -0.347457 1.141586 -0.928986 -0.964775 35O 5s -0.121114 -0.142793 -0.242009 0.644454 -0.516571 -0.234520 35O 1pz 0.013068 0.025959 -0.031111 0.000639 -0.001763 0.052077 35O 1px 0.033357 0.038569 0.016394 -0.106269 0.085881 0.091552 35O 1py 0.036588 -0.006811 0.059230 -0.036645 0.017694 0.050421 35O 2pz -0.067681 -0.112787 0.078020 0.128168 -0.085992 -0.193572 35O 2px -0.232019 -0.221645 -0.164613 0.710998 -0.558087 -0.552491 35O 2py -0.186374 -0.024363 -0.286540 0.314176 -0.235282 -0.267601 35O 3pz 0.013286 0.103508 0.045180 -0.009923 0.027775 -0.010627 35O 3px -0.093401 0.003642 -0.087109 0.329172 -0.260791 -0.249804 35O 3py 0.004201 0.007206 0.041359 0.053379 -0.172267 -0.122348 35O 1dz2 0.034852 0.034334 -0.045199 0.041934 -0.002080 0.117627 35O 1dxz -0.015130 -0.039720 0.144747 0.009279 0.058160 -0.148603 35O 1dyz 0.020496 -0.049147 0.023433 0.156074 -0.140046 0.057687 35O 1dx2y2 0.013365 -0.063022 0.127161 0.147558 -0.037844 -0.040082 35O 1dxy -0.070429 0.050758 -0.228523 0.028354 -0.083107 -0.060105 35O 2dz2 0.033635 0.016003 0.050694 -0.133580 0.087042 0.057362 35O 2dxz -0.025330 -0.042014 -0.014495 0.122764 -0.107087 -0.053383 35O 2dyz -0.027857 -0.004934 0.001803 0.005392 0.010701 -0.088468 35O 2dx2y2 -0.040448 -0.047417 0.007402 0.078155 -0.068793 -0.122196 35O 2dxy -0.074260 -0.034278 -0.071351 0.154153 -0.125461 -0.146595 35O 1f0 -0.002224 0.063209 -0.142471 -0.154635 0.048604 0.119784 35O 1f+1 0.046671 0.033945 -0.014869 -0.134445 0.076055 0.092242 35O 1f-1 0.024534 -0.020443 0.128105 -0.103662 0.103513 -0.028305 35O 1f+2 -0.002060 -0.072724 0.054188 0.118807 -0.109940 -0.070139 35O 1f-2 -0.021334 -0.057422 0.095250 0.073626 -0.042222 -0.173155 35O 1f+3 -0.039917 0.141025 -0.319739 -0.090454 -0.003658 0.065138 35O 1f-3 0.140231 0.002182 0.222063 -0.108793 0.139739 0.226829 678 679 680 681 682 683 6.10503 6.10888 6.23560 6.23752 6.29051 6.30686 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s 0.000112 0.000188 -0.000768 0.000202 0.000966 -0.000034 0Rh 2s -0.000847 -0.001494 0.004798 -0.001032 -0.003877 0.000294 0Rh 3s 0.000181 0.000263 -0.001837 0.000609 0.003598 -0.000035 0Rh 4s 0.005412 0.009579 -0.031175 0.006450 0.027535 -0.001862 0Rh 5s -0.015226 -0.027670 0.085282 -0.012744 -0.076797 0.005299 0Rh 6s 0.018763 0.035856 -0.098462 -0.007582 0.074015 -0.007098 0Rh 7s 0.057696 0.154776 0.151798 0.318768 0.007991 0.023991 0Rh 8s 0.064877 0.287976 0.305776 -0.168148 0.095628 -0.034381 0Rh 1pz 0.063824 -0.103303 -0.007485 0.009845 0.001285 0.030930 0Rh 1px 0.057532 0.028354 0.020648 -0.029344 -0.002814 0.012518 0Rh 1py -0.092058 -0.052745 0.000714 -0.004431 -0.000646 -0.023700 0Rh 2pz -0.266739 0.431909 0.031275 -0.041282 -0.005426 -0.129487 0Rh 2px -0.240548 -0.118748 -0.086258 0.123050 0.011886 -0.052416 0Rh 2py 0.384778 0.220462 -0.003087 0.018569 0.002727 0.099211 0Rh 3pz 0.878513 -1.426078 -0.102483 0.138612 0.019095 0.427896 0Rh 3px 0.794503 0.396290 0.282405 -0.413266 -0.041747 0.173400 0Rh 3py -1.268175 -0.726618 0.012278 -0.061924 -0.009377 -0.327717 0Rh 4pz -1.166288 1.904798 0.133933 -0.192940 -0.029826 -0.567158 0Rh 4px -1.062155 -0.543041 -0.368156 0.575538 0.064467 -0.230511 0Rh 4py 1.686903 0.966294 -0.022163 0.084307 0.013230 0.434286 0Rh 5pz 0.671456 -1.126770 -0.074133 0.132388 0.027015 0.332873 0Rh 5px 0.630408 0.356099 0.203925 -0.395925 -0.055720 0.137090 0Rh 5py -0.981521 -0.561860 0.027436 -0.057098 -0.010104 -0.257160 0Rh 6pz -0.320900 1.011630 0.029958 -0.049827 0.063573 -0.180214 0Rh 6px -0.626613 -0.924343 -0.248230 0.222319 -0.081351 -0.062631 0Rh 6py 0.634536 0.337917 -0.465552 0.361224 0.154444 0.190276 0Rh 1dz2 0.002538 -0.004251 0.004996 -0.003489 -0.002787 0.001032 0Rh 1dxz -0.004840 0.004530 0.006362 -0.004387 -0.004476 -0.002589 0Rh 1dyz -0.002836 0.000884 -0.001703 0.001848 0.000442 -0.000956 0Rh 1dx2y2 -0.003488 0.002509 -0.007250 0.004962 0.005260 -0.000942 0Rh 1dxy 0.006701 0.004402 0.005594 -0.003685 -0.002102 0.001859 0Rh 2dz2 -0.001019 0.000201 -0.001837 0.000992 0.000579 -0.000589 0Rh 2dxz 0.000850 -0.002360 -0.001952 0.001052 0.001061 0.001439 0Rh 2dyz 0.000670 -0.000601 0.000865 -0.000828 -0.000335 0.000674 0Rh 2dx2y2 0.001644 0.001174 0.001694 -0.000873 -0.000913 0.000847 0Rh 2dxy -0.001556 -0.000504 -0.002169 0.001570 0.001257 -0.001050 0Rh 3dz2 -0.008213 0.021629 -0.018003 0.014024 0.011971 -0.002732 0Rh 3dxz 0.021464 -0.011783 -0.024845 0.018642 0.018702 0.007050 0Rh 3dyz 0.011604 -0.001750 0.004916 -0.005945 -0.000821 0.001890 0Rh 3dx2y2 0.009986 -0.019599 0.030907 -0.022657 -0.023426 0.000952 0Rh 3dxy -0.027691 -0.020870 -0.019616 0.012183 0.005592 -0.004982 0Rh 4dz2 0.012877 -0.051477 0.038492 -0.031102 -0.023298 0.004370 0Rh 4dxz -0.047460 0.011421 0.055213 -0.042701 -0.036907 -0.012169 0Rh 4dyz -0.023355 0.001835 -0.007939 0.011556 0.001451 -0.002055 0Rh 4dx2y2 -0.012334 0.057193 -0.071921 0.053851 0.046169 0.001311 0Rh 4dxy 0.057382 0.047606 0.039217 -0.023480 -0.013057 0.008375 0Rh 5dz2 0.007712 0.081313 -0.070489 0.040721 0.014521 0.011355 0Rh 5dxz 0.065385 0.052592 -0.105728 0.059787 0.026918 -0.005704 0Rh 5dyz 0.019836 0.000071 -0.005584 -0.010669 -0.002138 -0.013645 0Rh 5dx2y2 -0.030140 -0.137782 0.151500 -0.079956 -0.030806 -0.030482 0Rh 5dxy -0.057088 -0.067295 -0.028123 0.022551 0.027079 0.008736 0Rh 1f0 -0.007844 0.005340 -0.002182 0.000657 0.005839 0.009601 0Rh 1f+1 -0.001307 -0.008967 0.000095 0.001788 -0.003733 0.002206 0Rh 1f-1 -0.001616 -0.017122 -0.003806 0.003893 0.001629 -0.001617 0Rh 1f+2 -0.017507 0.000438 -0.001058 0.003061 -0.006181 0.010362 0Rh 1f-2 -0.012307 -0.008555 0.000107 0.002914 -0.001218 0.004553 0Rh 1f+3 0.006327 -0.013164 0.001371 0.000377 -0.008221 -0.006532 0Rh 1f-3 -0.006846 -0.008788 0.002533 0.002521 -0.004717 0.000934 1Rh 1s -0.000106 -0.000187 0.000667 0.000421 0.000967 0.000035 1Rh 2s 0.000799 0.001485 -0.004241 -0.002415 -0.003882 -0.000310 1Rh 3s -0.000172 -0.000264 0.001554 0.001127 0.003601 0.000033 1Rh 4s -0.005107 -0.009527 0.027625 0.015451 0.027567 0.001962 1Rh 5s 0.014375 0.027506 -0.077055 -0.037600 -0.076888 -0.005598 1Rh 6s -0.017661 -0.035533 0.095762 0.022176 0.074129 0.007581 1Rh 7s -0.061541 -0.156165 -0.241124 0.258285 0.007423 -0.026658 1Rh 8s -0.062785 -0.289436 -0.240475 -0.251931 0.096013 0.035493 1Rh 1pz 0.063615 -0.103637 -0.004095 -0.011532 -0.001394 0.031003 1Rh 1px 0.057376 0.028091 0.010779 0.034155 0.002824 0.012426 1Rh 1py -0.091707 -0.052689 -0.000617 0.004437 0.000410 -0.023641 1Rh 2pz -0.265867 0.433304 0.017065 0.048327 0.005885 -0.129792 1Rh 2px -0.239896 -0.117648 -0.044893 -0.143129 -0.011927 -0.052031 1Rh 2py 0.383309 0.220229 0.002492 -0.018622 -0.001740 0.098964 1Rh 3pz 0.875668 -1.430672 -0.054901 -0.161579 -0.020622 0.428926 1Rh 3px 0.792353 0.392652 0.143848 0.478532 0.041880 0.172106 1Rh 3py -1.263373 -0.725875 -0.006422 0.062724 0.006112 -0.326893 1Rh 4pz -1.162587 1.910855 0.068144 0.222528 0.031890 -0.568586 1Rh 4px -1.059260 -0.538126 -0.176439 -0.658932 -0.064644 -0.228699 1Rh 4py 1.680619 0.965374 0.003562 -0.087113 -0.008891 0.433185 1Rh 5pz 0.669480 -1.130097 -0.029953 -0.147892 -0.028346 0.333808 1Rh 5px 0.628492 0.352961 0.074421 0.438561 0.055833 0.135773 1Rh 5py -0.978012 -0.561432 0.009378 0.062873 0.007548 -0.256560 1Rh 6pz -0.320767 1.013259 0.018315 0.062339 -0.061536 -0.181480 1Rh 6px -0.623561 -0.921322 -0.167734 -0.285364 0.080872 -0.061631 1Rh 6py 0.630812 0.336928 -0.335817 -0.486306 -0.153111 0.191255 1Rh 1dz2 -0.002571 0.004259 -0.003777 -0.004964 -0.002833 -0.001020 1Rh 1dxz 0.004825 -0.004479 -0.004624 -0.005952 -0.004435 0.002572 1Rh 1dyz 0.002862 -0.000884 0.000999 0.002071 0.000397 0.000962 1Rh 1dx2y2 0.003515 -0.002484 0.005453 0.006949 0.005289 0.000917 1Rh 1dxy -0.006739 -0.004416 -0.004268 -0.005306 -0.002155 -0.001855 1Rh 2dz2 0.001038 -0.000206 0.001473 0.001540 0.000592 0.000591 1Rh 2dxz -0.000843 0.002341 0.001506 0.001542 0.001049 -0.001428 1Rh 2dyz -0.000670 0.000609 -0.000559 -0.000985 -0.000322 -0.000669 1Rh 2dx2y2 -0.001652 -0.001188 -0.001373 -0.001363 -0.000926 -0.000840 1Rh 2dxy 0.001572 0.000508 0.001606 0.002186 0.001277 0.001052 1Rh 3dz2 0.008294 -0.021654 0.013188 0.019315 0.012159 0.002657 1Rh 3dxz -0.021422 0.011606 0.017612 0.024704 0.018541 -0.007008 1Rh 3dyz -0.011745 0.001709 -0.002616 -0.006351 -0.000633 -0.001948 1Rh 3dx2y2 -0.010088 0.019535 -0.022736 -0.031002 -0.023517 -0.000852 1Rh 3dxy 0.027815 0.020923 0.015216 0.017939 0.005786 0.004955 1Rh 4dz2 -0.012985 0.051536 -0.027867 -0.042430 -0.023738 -0.004192 1Rh 4dxz 0.047377 -0.011070 -0.038820 -0.056193 -0.036556 0.012089 1Rh 4dyz 0.023711 -0.001701 0.003487 0.011575 0.000984 0.002213 1Rh 4dx2y2 0.012557 -0.057099 0.052535 0.073159 0.046343 -0.001526 1Rh 4dxy -0.057602 -0.047717 -0.030716 -0.035135 -0.013483 -0.008305 1Rh 5dz2 -0.007856 -0.081462 0.055784 0.061979 0.015364 -0.011700 1Rh 5dxz -0.065317 -0.053145 0.081752 0.087528 0.026371 0.005830 1Rh 5dyz -0.020693 -0.000550 0.009717 -0.005131 -0.001099 0.013125 1Rh 5dx2y2 0.029805 0.137764 -0.120515 -0.121823 -0.030955 0.030679 1Rh 5dxy 0.057206 0.067403 0.020676 0.031494 0.027644 -0.008944 1Rh 1f0 -0.007776 0.005395 -0.001937 -0.001388 -0.005875 0.009655 1Rh 1f+1 -0.001321 -0.008985 0.000692 -0.001631 0.003765 0.002181 1Rh 1f-1 -0.001653 -0.017186 -0.002451 -0.004884 -0.001589 -0.001584 1Rh 1f+2 -0.017521 0.000494 -0.000216 -0.003313 0.006140 0.010334 1Rh 1f-2 -0.012282 -0.008578 0.001069 -0.002548 0.001327 0.004516 1Rh 1f+3 0.006238 -0.013202 0.001420 0.000034 0.008225 -0.006583 1Rh 1f-3 -0.006850 -0.008784 0.003097 -0.001731 0.004676 0.000953 2C 1s 0.000175 0.000994 0.000484 -0.000353 0.001619 -0.000781 2C 2s -0.000409 0.002512 0.001043 -0.001136 0.005956 -0.003310 2C 3s 0.040012 -0.187380 -0.003407 0.027070 -0.105879 0.110002 2C 4s -0.174714 1.021565 0.012621 -0.164435 0.472401 -0.543102 2C 5s 0.170121 -0.023909 -0.118955 0.133415 -0.700024 0.290532 2C 1pz 0.000012 -0.026563 -0.001196 0.006288 -0.031380 0.014879 2C 1px 0.002678 0.009120 0.000550 0.002567 -0.003202 -0.001874 2C 1py 0.002718 -0.013487 -0.005669 0.007501 -0.019544 0.024729 2C 2pz -0.035671 0.619968 -0.014983 -0.080800 0.237703 -0.250827 2C 2px -0.049268 -0.090151 -0.037848 -0.046530 -0.010101 0.011099 2C 2py -0.036699 0.381267 0.032486 -0.092386 0.143692 -0.273752 2C 3pz 0.044280 0.032364 -0.030461 0.034704 -0.122790 0.015202 2C 3px 0.013963 0.034630 0.039300 0.009221 -0.016965 -0.028926 2C 3py -0.031710 0.014167 -0.019825 0.038235 -0.081277 0.033389 2C 1dz2 -0.000262 0.005270 0.000921 0.001067 -0.008527 -0.007247 2C 1dxz 0.009507 0.024223 -0.000873 -0.002580 -0.007632 -0.005214 2C 1dyz -0.006649 0.019754 -0.006042 0.001312 -0.009141 -0.001930 2C 1dx2y2 0.003125 -0.009310 0.005663 -0.001983 0.006279 -0.005397 2C 1dxy 0.000199 0.018067 -0.002461 -0.000084 0.000093 0.001189 2C 2dz2 0.026784 0.138583 -0.008567 -0.007834 0.060243 -0.028755 2C 2dxz 0.028903 0.116743 0.032878 -0.027509 0.062461 -0.056007 2C 2dyz -0.038994 0.116670 -0.012224 -0.032110 0.055534 -0.105709 2C 2dx2y2 0.011107 -0.128915 -0.015319 0.005245 -0.046164 0.068054 2C 2dxy -0.016369 0.024023 -0.005892 -0.011583 0.014531 -0.003269 2C 1f0 0.012961 -0.022347 -0.001657 0.003881 -0.003085 0.011863 2C 1f+1 0.014607 -0.003393 -0.007811 -0.000009 -0.016771 0.004165 2C 1f-1 -0.009313 0.025952 -0.001436 -0.000930 0.024455 -0.025734 2C 1f+2 0.022266 0.017495 0.008724 -0.002039 0.002202 0.003412 2C 1f-2 -0.005679 0.035124 0.002671 -0.005588 0.008920 -0.005560 2C 1f+3 0.020345 0.018116 0.006768 -0.003342 0.000623 0.001223 2C 1f-3 -0.021534 -0.023532 -0.010931 0.004052 -0.016827 0.010698 3C 1s -0.000740 0.000349 -0.000270 -0.000603 0.001566 -0.001305 3C 2s -0.002613 -0.000341 -0.000769 -0.001790 0.005871 -0.008279 3C 3s 0.229401 0.038865 -0.004356 0.026764 -0.100299 0.288701 3C 4s -1.216334 -0.146096 0.048343 -0.165396 0.439769 -1.441765 3C 5s 0.191648 0.190633 0.089035 0.248641 -0.665106 0.589015 3C 1pz 0.018912 -0.000727 0.000415 0.004604 -0.020167 0.036634 3C 1px 0.009501 0.008873 -0.001192 0.000053 -0.011133 0.019313 3C 1py -0.024208 0.001745 -0.002395 -0.009953 0.029628 -0.060392 3C 2pz -0.446490 0.032393 0.032464 -0.070637 0.151915 -0.499260 3C 2px -0.222214 -0.125269 0.014953 0.008658 0.063148 -0.218809 3C 2py 0.572393 -0.004470 -0.052646 0.116849 -0.194816 0.750199 3C 3pz 0.025092 -0.034690 0.017992 0.030745 -0.089471 0.056987 3C 3px -0.022468 0.001215 0.015243 0.041328 -0.024600 -0.021412 3C 3py 0.018733 -0.045603 -0.007828 -0.058405 0.115735 -0.031790 3C 1dz2 0.006728 -0.005010 -0.000335 -0.001528 -0.000521 0.005518 3C 1dxz -0.003011 0.008500 0.001788 0.000737 -0.006480 0.000956 3C 1dyz 0.019801 0.013240 -0.003355 -0.000720 0.008258 0.011225 3C 1dx2y2 0.017949 0.004834 -0.008609 -0.003925 0.010726 -0.003392 3C 1dxy 0.012689 -0.011524 -0.002008 -0.003761 0.007667 0.001007 3C 2dz2 0.025521 -0.021034 0.001967 0.008827 -0.018523 0.059271 3C 2dxz -0.059387 0.034775 0.009299 -0.013200 0.047057 -0.115784 3C 2dyz 0.107480 0.055216 -0.029150 0.019086 -0.023131 0.144447 3C 2dx2y2 0.156510 -0.050462 -0.000547 0.043103 -0.064720 0.213071 3C 2dxy 0.137549 0.008955 -0.006863 0.004827 -0.070289 0.184298 3C 1f0 0.028642 -0.015412 0.003342 0.004309 -0.022507 0.043318 3C 1f+1 0.021275 -0.024436 0.001948 0.002727 -0.015474 0.031207 3C 1f-1 -0.010073 0.017823 -0.002785 0.000774 0.001464 -0.003002 3C 1f+2 0.033491 0.034282 0.000553 0.006579 -0.016377 0.051702 3C 1f-2 0.003114 0.012057 -0.003125 -0.004539 -0.000573 0.008665 3C 1f+3 0.002284 0.008723 0.008279 0.007232 -0.002212 -0.014543 3C 1f-3 -0.008580 0.011265 -0.007999 -0.000986 0.017678 -0.019899 4C 1s -0.001689 0.021026 -0.007417 0.012225 -0.049526 0.018969 4C 2s -0.002495 0.033078 -0.010502 0.017775 -0.072667 0.028155 4C 3s -0.018629 -0.094052 0.018052 -0.053672 0.206787 -0.146447 4C 4s 0.166578 -0.712360 0.220937 -0.343596 1.176946 -0.133401 4C 5s -0.099818 0.726855 -0.110393 0.032058 0.253006 -0.105782 4C 1pz 0.001718 -0.167368 0.013986 -0.029748 0.103230 -0.020501 4C 1px 0.034711 0.087824 0.004341 0.012017 0.023133 -0.003982 4C 1py 0.006544 -0.066379 0.009987 -0.014758 0.070801 -0.022677 4C 2pz -0.089476 0.373947 0.137482 -0.241219 0.776798 -0.544910 4C 2px 0.298754 0.891698 -0.037643 -0.015894 0.168736 -0.101108 4C 2py -0.047776 0.578268 0.018517 -0.134192 0.544225 -0.277729 4C 3pz -0.088404 0.571021 -0.048704 0.132208 -0.319113 0.005700 4C 3px -0.049573 0.117996 -0.124535 0.100411 0.014981 0.003623 4C 3py 0.145742 0.391571 -0.080644 0.103182 -0.188280 0.012388 4C 1dz2 -0.005217 0.007367 -0.002064 0.009286 -0.128633 0.025398 4C 1dxz 0.045910 0.264358 -0.021289 0.059608 -0.205313 0.058941 4C 1dyz -0.015203 0.014265 0.006157 -0.021309 0.038003 -0.008442 4C 1dx2y2 0.034034 -0.188479 0.051103 -0.077329 0.325001 -0.136165 4C 1dxy 0.041866 0.043835 0.024857 -0.017125 0.153608 -0.047175 4C 2dz2 0.026575 -0.220313 -0.000806 0.109084 -0.106877 0.161317 4C 2dxz 0.060802 0.001853 -0.032830 0.016453 -0.183877 0.129596 4C 2dyz -0.006659 -0.218560 0.016674 0.047674 -0.025894 0.062786 4C 2dx2y2 0.050076 0.125242 0.020597 -0.106368 0.253816 -0.064169 4C 2dxy 0.051270 0.049777 -0.004068 -0.040460 0.098160 -0.014895 4C 1f0 -0.015802 0.058428 -0.020033 0.026524 -0.087672 0.056484 4C 1f+1 -0.085082 -0.028373 -0.053133 0.047931 -0.189269 0.076241 4C 1f-1 -0.008389 0.021273 -0.009148 0.003979 -0.043312 -0.008537 4C 1f+2 -0.002683 -0.104028 0.038866 -0.045546 0.160905 -0.069248 4C 1f-2 0.075024 0.011514 0.012284 0.007643 -0.011861 -0.006409 4C 1f+3 -0.115671 -0.060611 -0.013322 0.011048 0.024161 0.030239 4C 1f-3 0.071978 -0.083777 -0.003084 0.036908 -0.166560 0.043850 5C 1s -0.023058 -0.000154 0.005813 0.015489 -0.050982 0.057973 5C 2s -0.036222 -0.000082 0.008104 0.021886 -0.075103 0.085732 5C 3s 0.085604 -0.040164 -0.006067 -0.029079 0.218068 -0.402328 5C 4s 0.840119 0.184076 -0.198013 -0.573622 1.202446 -0.648526 5C 5s -0.841585 -0.097953 0.085367 -0.023421 0.186677 -0.216494 5C 1pz 0.078977 -0.034373 -0.007904 -0.012016 0.067266 -0.048210 5C 1px 0.074964 0.086499 -0.006028 -0.029603 0.036513 -0.033188 5C 1py -0.141161 0.015723 0.013172 0.026257 -0.109695 0.081877 5C 2pz -0.455669 -0.278413 -0.048229 -0.190225 0.473032 -0.875129 5C 2px -0.101606 0.740920 -0.026306 -0.149621 0.274843 -0.539088 5C 2py 0.730235 0.095979 0.011217 0.280857 -0.779850 1.409995 5C 3pz -0.342186 0.148977 0.042695 0.151021 -0.172545 0.003190 5C 3px -0.211246 0.031689 -0.039619 -0.052823 -0.166272 0.006100 5C 3py 0.538816 0.063246 -0.068421 -0.198246 0.317562 -0.018329 5C 1dz2 -0.114730 -0.068548 0.012922 0.057617 -0.194464 0.199489 5C 1dxz -0.115176 0.070153 0.018942 0.047876 -0.214240 0.228827 5C 1dyz -0.015996 0.058988 0.024600 0.042724 -0.118283 0.137603 5C 1dx2y2 0.229607 0.055870 -0.034214 -0.097171 0.307205 -0.333987 5C 1dxy 0.061808 -0.117659 -0.017717 -0.000699 0.099513 -0.084358 5C 2dz2 -0.042936 -0.099491 0.025281 0.036020 -0.140231 0.116376 5C 2dxz 0.106291 0.019602 -0.017693 0.136657 -0.145190 0.268065 5C 2dyz -0.191371 0.056172 0.022484 0.002988 -0.037880 -0.172273 5C 2dx2y2 -0.156636 0.059006 0.011048 -0.106972 0.254206 -0.396870 5C 2dxy -0.169364 -0.115087 0.039945 -0.100213 0.070190 -0.233109 5C 1f0 0.042053 0.084412 0.019236 0.025783 -0.064396 0.087098 5C 1f+1 -0.001526 0.027031 0.032978 0.060149 -0.123398 0.179886 5C 1f-1 0.011543 0.031985 0.003166 0.000651 0.013292 0.000504 5C 1f+2 0.035398 -0.112713 -0.025982 -0.024529 0.027160 -0.014983 5C 1f-2 0.004948 -0.044405 -0.019157 -0.051554 0.143380 -0.166470 5C 1f+3 -0.047084 -0.100781 0.031567 0.051779 -0.165077 0.156526 5C 1f-3 -0.013893 0.039196 -0.010886 -0.060820 0.187418 -0.212707 6C 1s 0.023065 0.000146 -0.009963 0.012866 -0.051171 -0.057991 6C 2s 0.036221 0.000085 -0.014040 0.018194 -0.075368 -0.085747 6C 3s -0.084627 0.039950 0.017218 -0.024920 0.218488 0.401914 6C 4s -0.844151 -0.182203 0.340649 -0.484965 1.208424 0.651243 6C 5s 0.840552 0.099641 -0.081936 -0.051367 0.187214 0.217186 6C 1pz 0.078816 -0.034566 -0.011315 0.009063 -0.067272 -0.048066 6C 1px 0.075530 0.087170 -0.014316 0.025534 -0.037189 -0.033388 6C 1py -0.141068 0.015720 0.020625 -0.020805 0.109820 0.081826 6C 2pz -0.457465 -0.281477 -0.096573 0.163828 -0.476583 -0.875284 6C 2px -0.096402 0.748023 -0.067176 0.143434 -0.272432 -0.540453 6C 2py 0.731525 0.098509 0.083923 -0.261652 0.785869 1.411263 6C 3pz -0.342848 0.147743 0.088914 -0.130447 0.170227 0.004071 6C 3px -0.209838 0.032319 -0.050427 0.042390 0.166272 0.005991 6C 3py 0.539196 0.064497 -0.130152 0.166582 -0.313895 -0.019155 6C 1dz2 0.114912 0.068685 -0.028442 0.050484 -0.195109 -0.199556 6C 1dxz 0.115010 -0.070480 -0.031632 0.039054 -0.215347 -0.228997 6C 1dyz 0.015797 -0.059447 -0.035622 0.032812 -0.118637 -0.137554 6C 1dx2y2 -0.229928 -0.056443 0.060522 -0.081792 0.308051 0.334179 6C 1dxy -0.061264 0.118624 0.016927 0.005283 0.099606 0.083885 6C 2dz2 0.044072 0.100386 -0.032738 0.027517 -0.140160 -0.116345 6C 2dxz -0.106981 -0.020839 -0.020465 0.134795 -0.146845 -0.268674 6C 2dyz 0.191328 -0.056900 -0.021436 -0.005308 -0.038646 0.172275 6C 2dx2y2 0.155498 -0.059559 0.016783 -0.107059 0.255800 0.397552 6C 2dxy 0.171463 0.117239 -0.011597 -0.105551 0.072032 0.233482 6C 1f0 0.042300 0.084951 0.025279 -0.018396 0.064651 0.086925 6C 1f+1 -0.001828 0.026740 0.048682 -0.047816 0.123787 0.180067 6C 1f-1 0.011457 0.031869 0.003392 0.000474 -0.013186 0.000435 6C 1f+2 0.035156 -0.113226 -0.032038 0.015565 -0.026977 -0.014831 6C 1f-2 0.004989 -0.044783 -0.032251 0.042199 -0.144578 -0.166640 6C 1f+3 -0.047890 -0.101167 0.044097 -0.039755 0.165406 0.156493 6C 1f-3 -0.014085 0.038677 -0.026645 0.053934 -0.188540 -0.213014 7C 1s 0.001693 -0.021007 0.003364 0.013841 -0.049234 -0.018815 7C 2s 0.002513 -0.033054 0.004708 0.020064 -0.072226 -0.027932 7C 3s 0.016893 0.095066 -0.004838 -0.057755 0.204176 0.145189 7C 4s -0.158000 0.708269 -0.090807 -0.387837 1.175983 0.134129 7C 5s 0.095835 -0.725510 0.102174 0.064028 0.251133 0.100146 7C 1pz 0.001575 -0.167608 0.004910 0.032237 -0.102786 -0.020458 7C 1px 0.034811 0.089029 0.008001 -0.009158 -0.022518 -0.003954 7C 1py 0.006546 -0.066651 0.005522 0.017324 -0.070707 -0.022679 7C 2pz -0.087355 0.373400 0.050547 0.271954 -0.767389 -0.538209 7C 2px 0.301285 0.902283 -0.043041 -0.004689 -0.170294 -0.100714 7C 2py -0.045676 0.582457 -0.028451 0.130806 -0.541732 -0.274981 7C 3pz -0.087651 0.572442 -0.013745 -0.140241 0.318508 0.002685 7C 3px -0.049538 0.119204 -0.088349 -0.135257 -0.016879 0.002914 7C 3py 0.146214 0.394516 -0.050317 -0.124519 0.188774 0.010389 7C 1dz2 0.005626 -0.006960 -0.000514 0.009409 -0.128492 -0.024991 7C 1dxz -0.046151 -0.265986 0.002237 0.063149 -0.203979 -0.058221 7C 1dyz 0.015136 -0.014276 0.000856 -0.022058 0.038017 0.008502 7C 1dx2y2 -0.034297 0.187928 -0.025347 -0.088914 0.323192 0.135212 7C 1dxy -0.041755 -0.044677 -0.018462 -0.023429 0.152663 0.046701 7C 2dz2 -0.025705 0.221530 -0.035193 0.102386 -0.106507 -0.160616 7C 2dxz -0.061272 -0.003460 0.024117 0.027533 -0.181530 -0.127850 7C 2dyz 0.007433 0.219668 -0.031822 0.040639 -0.024242 -0.062132 7C 2dx2y2 -0.049893 -0.127595 0.017021 -0.106519 0.252397 0.063135 7C 2dxy -0.051440 -0.052564 0.018794 -0.034703 0.099033 0.014987 7C 1f0 -0.015963 0.057748 -0.010704 -0.031322 0.087286 0.056368 7C 1f+1 -0.084621 -0.029494 -0.034848 -0.061179 0.187606 0.075664 7C 1f-1 -0.007907 0.021455 -0.007286 -0.006015 0.043362 -0.008572 7C 1f+2 -0.002697 -0.104229 0.022606 0.055223 -0.159896 -0.068750 7C 1f-2 0.074638 0.011908 0.013972 -0.003772 0.012125 -0.006371 7C 1f+3 -0.116020 -0.063217 -0.009380 -0.014404 -0.024109 0.030504 7C 1f-3 0.071616 -0.083715 0.009159 -0.034953 0.166443 0.043345 8C 1s 0.000735 -0.000356 0.000435 -0.000487 0.001576 0.001310 8C 2s 0.002613 0.000332 0.001239 -0.001457 0.005904 0.008286 8C 3s -0.229951 -0.039223 -0.003028 0.026619 -0.101133 -0.288738 8C 4s 1.218988 0.148268 -0.002784 -0.171917 0.443896 1.442215 8C 5s -0.191655 -0.189586 -0.160867 0.207490 -0.663468 -0.590761 8C 1pz 0.018876 -0.000675 0.001561 -0.004184 0.020349 0.036585 8C 1px 0.009464 0.008971 -0.001159 -0.000355 0.011155 0.019174 8C 1py -0.024305 0.001721 -0.005103 0.008738 -0.029796 -0.060475 8C 2pz -0.445884 0.031867 0.012860 0.077086 -0.153784 -0.498318 8C 2px -0.221332 -0.126263 0.017573 -0.003619 -0.062689 -0.216817 8C 2py 0.574738 -0.004709 -0.018315 -0.128117 0.196990 0.752361 8C 3pz 0.025113 -0.034730 0.026826 -0.023300 0.089240 0.056712 8C 3px -0.023679 0.001044 0.026773 -0.035481 0.023568 -0.022223 8C 3py 0.018294 -0.045229 -0.025568 0.052818 -0.115213 -0.032863 8C 1dz2 -0.006651 0.005004 0.000823 -0.001388 -0.000545 -0.005497 8C 1dxz 0.002962 -0.008559 -0.001867 0.000051 -0.006535 -0.000875 8C 1dyz -0.020051 -0.013307 0.003356 0.000390 0.008285 -0.011273 8C 1dx2y2 -0.018025 -0.004932 0.009343 -0.001101 0.010702 0.003423 8C 1dxy -0.012570 0.011775 0.003024 -0.002893 0.007688 -0.000980 8C 2dz2 -0.025700 0.020323 -0.004681 0.007751 -0.018130 -0.058931 8C 2dxz 0.059281 -0.034847 -0.005432 -0.015413 0.048088 0.116784 8C 2dyz -0.108499 -0.055856 0.022527 0.027337 -0.023300 -0.144842 8C 2dx2y2 -0.155505 0.050897 -0.010895 0.041466 -0.064737 -0.212178 8C 2dxy -0.137941 -0.008300 0.005695 0.006680 -0.071354 -0.184816 8C 1f0 0.028448 -0.015659 0.004328 -0.003074 0.022561 0.043188 8C 1f+1 0.021274 -0.024311 0.002543 -0.001809 0.015715 0.031355 8C 1f-1 -0.009829 0.017939 -0.002391 -0.001640 -0.001418 -0.002815 8C 1f+2 0.033667 0.034499 0.002381 -0.006075 0.016494 0.051633 8C 1f-2 0.003337 0.012100 -0.004317 0.003365 0.000610 0.008769 8C 1f+3 0.002331 0.008811 0.010053 -0.004364 0.002166 -0.014565 8C 1f-3 -0.008266 0.011546 -0.007871 -0.001663 -0.017835 -0.019881 9C 1s -0.000168 -0.001018 -0.000345 -0.000466 0.001618 0.000756 9C 2s 0.000378 -0.002534 -0.000635 -0.001375 0.005918 0.003251 9C 3s -0.038001 0.186846 -0.005085 0.027128 -0.104133 -0.108540 9C 4s 0.165977 -1.019992 0.041091 -0.161821 0.463689 0.536088 9C 5s -0.161908 0.019603 0.078484 0.163307 -0.695859 -0.278288 9C 1pz -0.000045 -0.026631 0.000833 -0.006280 0.031055 0.014667 9C 1px 0.002671 0.009333 0.001314 -0.002236 0.003108 -0.001933 9C 1py 0.002658 -0.013542 -0.003001 -0.008879 0.019360 0.024589 9C 2pz -0.032841 0.622877 -0.041598 0.072033 -0.234126 -0.247192 9C 2px -0.048393 -0.092334 -0.051009 0.032264 0.010979 0.011679 9C 2py -0.034785 0.381627 -0.000226 0.097961 -0.140263 -0.270407 9C 3pz 0.043978 0.032268 -0.019781 -0.042344 0.122539 0.013802 9C 3px 0.014147 0.034683 0.040521 0.003763 0.017393 -0.028713 9C 3py -0.032142 0.015581 -0.007717 -0.042218 0.080723 0.031530 9C 1dz2 0.000158 -0.005097 -0.001199 0.000588 -0.008510 0.007069 9C 1dxz -0.009546 -0.024598 0.001641 -0.002237 -0.007586 0.005226 9C 1dyz 0.006303 -0.019835 0.005321 0.003036 -0.009249 0.001982 9C 1dx2y2 -0.003229 0.009383 -0.004845 -0.003668 0.006282 0.005539 9C 1dxy -0.000262 -0.018147 0.002451 0.000690 0.000061 -0.001131 9C 2dz2 -0.027193 -0.136809 0.011508 -0.004240 0.057967 0.026363 9C 2dxz -0.029668 -0.118068 -0.022143 -0.035606 0.061603 0.054589 9C 2dyz 0.037416 -0.118696 0.021994 -0.027294 0.055110 0.105189 9C 2dx2y2 -0.011635 0.130977 0.012049 0.009452 -0.046634 -0.067871 9C 2dxy 0.016817 -0.022551 0.009348 -0.009401 0.014544 0.003393 9C 1f0 0.013282 -0.023101 -0.000244 -0.004058 0.003423 0.012224 9C 1f+1 0.014858 -0.003547 -0.007575 -0.002203 0.016671 0.004041 9C 1f-1 -0.008618 0.025755 -0.001604 0.000472 -0.024105 -0.025259 9C 1f+2 0.021812 0.017482 0.007421 0.004279 -0.002051 0.003686 9C 1f-2 -0.005100 0.034948 0.000866 0.006274 -0.008470 -0.005479 9C 1f+3 0.020285 0.018941 0.005318 0.005187 -0.000662 0.001250 9C 1f-3 -0.021186 -0.023721 -0.009110 -0.007154 0.016748 0.010602 10H 1s 0.020324 0.037577 0.010722 -0.002738 0.012831 -0.011937 10H 2s 0.041597 0.211898 0.038923 0.005397 0.055551 -0.053392 10H 3s -0.032653 -0.024642 -0.022515 -0.005996 0.041590 -0.015428 10H 1pz 0.017363 0.031803 0.001971 0.007472 -0.009713 0.001489 10H 1px -0.012258 -0.052222 -0.011320 0.002683 -0.017879 0.017145 10H 1py 0.003975 0.015888 0.000333 0.004492 -0.005929 0.001754 11H 1s -0.000097 -0.025800 -0.009181 0.002510 -0.015647 0.016247 11H 2s -0.040801 -0.067476 -0.038396 0.009875 -0.019463 0.039693 11H 3s -0.013269 0.078959 0.039384 0.000578 0.079041 -0.086153 11H 1pz -0.009057 -0.017388 -0.007413 0.005183 -0.001561 0.016694 11H 1px -0.003299 -0.027991 -0.009798 0.001964 -0.012253 0.014412 11H 1py 0.004844 -0.001442 0.005787 0.000018 0.006323 0.000844 12H 1s 0.018712 -0.018697 0.003716 -0.001347 -0.008078 0.002616 12H 2s -0.000460 -0.040932 0.005273 -0.017572 -0.012583 -0.020003 12H 3s -0.031037 0.061482 0.017728 0.023593 0.079165 -0.043527 12H 1pz -0.002978 -0.016751 -0.000480 0.001756 -0.003739 -0.004557 12H 1px -0.001221 -0.021388 -0.003656 -0.001494 -0.012095 0.005472 12H 1py 0.008542 -0.018145 0.006287 -0.004513 -0.008277 -0.008452 13H 1s -0.008505 0.037429 -0.004839 -0.001366 0.015055 -0.026554 13H 2s -0.063012 0.119369 0.011273 -0.038196 0.039448 -0.086636 13H 3s -0.028971 -0.064371 -0.012790 -0.000926 0.036301 -0.042112 13H 1pz -0.005398 0.032955 0.001407 -0.005561 0.001620 -0.007174 13H 1px 0.018462 -0.022773 0.000770 0.007032 -0.014766 0.028628 13H 1py -0.017410 -0.027182 -0.006732 -0.001329 0.016077 -0.025272 14H 1s 0.003284 0.012403 0.001342 0.003251 -0.001439 0.007420 14H 2s -0.060531 -0.054001 -0.007903 -0.000918 -0.002116 0.010683 14H 3s -0.050850 -0.017326 -0.000293 -0.004319 0.063440 -0.108784 14H 1pz -0.012116 -0.004226 -0.001273 0.002320 0.001404 -0.000831 14H 1px -0.000380 -0.010285 0.001651 0.003859 -0.009921 0.022608 14H 1py -0.012821 0.010755 -0.002455 -0.007646 0.008204 -0.016598 15H 1s 0.031719 0.001042 0.006473 0.005657 -0.017473 0.029627 15H 2s 0.084323 -0.052661 0.007922 -0.003297 -0.033361 0.078607 15H 3s -0.102678 -0.004133 -0.022623 -0.009933 0.080791 -0.146412 15H 1pz -0.017149 0.007135 -0.007597 -0.001653 0.015105 -0.022979 15H 1px 0.014850 -0.004961 0.001084 0.001521 -0.004650 0.014188 15H 1py -0.032964 0.008351 0.001872 0.001809 0.006735 -0.019293 16H 1s -0.026896 0.017936 0.291032 -0.209080 -0.041537 -0.011364 16H 2s -0.062355 -0.069402 0.372328 -0.258323 -0.059635 -0.041502 16H 3s 0.005887 0.036730 -0.087681 0.058283 -0.022153 0.008117 16H 1pz -0.041484 0.008116 0.417123 -0.297395 -0.068698 -0.032102 16H 1px 0.004682 -0.009460 -0.038002 0.024035 0.022336 0.005959 16H 1py -0.010019 0.015771 0.088647 -0.067296 0.014821 0.004557 17H 1s 0.025009 -0.020323 0.293934 -0.212950 -0.038752 -0.041554 17H 2s -0.024374 -0.086264 0.368953 -0.254127 -0.052732 -0.028823 17H 3s 0.030740 0.008184 -0.092934 0.062226 -0.022326 0.006354 17H 1pz -0.005876 0.025138 -0.274456 0.197693 0.036493 0.043136 17H 1px -0.026727 0.032710 -0.293220 0.206553 0.058455 0.011403 17H 1py 0.017986 -0.004754 0.150421 -0.111695 0.008008 -0.019540 18H 1s -0.023784 0.020175 -0.215439 -0.290591 -0.038755 0.042935 18H 2s 0.023103 0.086133 -0.273090 -0.351402 -0.052192 0.028884 18H 3s -0.030835 -0.007346 0.070191 0.087546 -0.022247 -0.006618 18H 1pz -0.005915 0.025470 -0.204584 -0.274511 -0.036507 0.044586 18H 1px -0.026449 0.033129 -0.216453 -0.284493 -0.058176 0.012142 18H 1py 0.017168 -0.003669 0.102821 0.142687 -0.009455 -0.018765 19H 1s 0.026624 -0.018650 -0.214738 -0.287557 -0.041870 0.013210 19H 2s 0.060168 0.069838 -0.278697 -0.359653 -0.060579 0.041843 19H 3s -0.006540 -0.036290 0.065443 0.081369 -0.022455 -0.008296 19H 1pz -0.039720 0.008416 0.306936 0.407478 0.069441 -0.033659 19H 1px 0.004447 -0.009457 -0.031229 -0.037251 -0.022848 0.005638 19H 1py -0.010860 0.015719 0.071571 0.100368 -0.013136 0.003245 20H 1s -0.031491 -0.000812 -0.007604 0.003268 -0.017541 -0.029328 20H 2s -0.082780 0.052324 -0.005677 -0.005900 -0.033749 -0.077051 20H 3s 0.102233 0.004131 0.024274 -0.002119 0.081216 0.145918 20H 1pz -0.016798 0.007084 -0.007574 -0.000875 -0.015081 -0.022472 20H 1px 0.015129 -0.005000 0.001473 -0.001129 0.004965 0.014588 20H 1py -0.032511 0.008255 0.002570 -0.001235 -0.006848 -0.018846 21H 1s -0.003726 -0.012276 -0.002403 0.002707 -0.001767 -0.008021 21H 2s 0.059272 0.053612 0.007562 0.001404 -0.002833 -0.012543 21H 3s 0.051659 0.017274 0.001521 -0.003614 0.064023 0.110087 21H 1pz -0.011963 -0.004084 -0.000415 -0.002641 -0.001422 -0.000535 21H 1px 0.000112 -0.010284 0.002689 -0.003110 0.010213 0.023199 21H 1py -0.012607 0.010711 -0.004414 0.006498 -0.007916 -0.016178 22H 1s 0.008402 -0.037484 0.004914 0.000317 0.015408 0.026796 22H 2s 0.062489 -0.120852 -0.000172 -0.040234 0.040522 0.087768 22H 3s 0.028563 0.064633 0.012362 0.003115 0.035918 0.041536 22H 1pz -0.005003 0.033041 -0.000161 0.005788 -0.001650 -0.007093 22H 1px 0.018577 -0.023143 0.002777 -0.006503 0.015202 0.029120 22H 1py -0.017439 -0.027656 -0.006779 -0.000955 -0.016022 -0.024958 23H 1s -0.018090 0.018908 -0.002838 -0.002237 -0.008485 -0.002750 23H 2s -0.000901 0.041766 0.000863 -0.017862 -0.013467 0.018121 23H 3s 0.029928 -0.061800 -0.024685 0.017015 0.079047 0.042378 23H 1pz -0.002888 -0.016122 0.000307 -0.001708 0.003077 -0.004921 23H 1px -0.001454 -0.021520 -0.003996 0.000234 0.011950 0.005597 23H 1py 0.008725 -0.018314 0.004353 0.006063 0.008508 -0.008002 24H 1s 0.000947 0.025504 0.007899 0.005159 -0.015139 -0.015711 24H 2s 0.040471 0.066204 0.033660 0.021383 -0.018186 -0.038824 24H 3s 0.011516 -0.078014 -0.038424 -0.011353 0.077613 0.083517 24H 1pz -0.009258 -0.017065 -0.005498 -0.007382 0.001355 0.016492 24H 1px -0.003465 -0.027923 -0.008902 -0.004988 0.012120 0.014287 24H 1py 0.004876 -0.002407 0.005430 0.001629 -0.005662 0.001385 25H 1s -0.019517 -0.038511 -0.009147 -0.005725 0.012880 0.011822 25H 2s -0.041555 -0.214869 -0.037626 -0.005729 0.055947 0.052101 25H 3s 0.031125 0.025848 0.023225 0.000930 0.041127 0.014532 25H 1pz 0.017244 0.032966 0.004055 -0.006589 0.009310 0.001442 25H 1px -0.011902 -0.053035 -0.009676 -0.005699 0.017936 0.016742 25H 1py 0.003731 0.015310 0.001374 -0.004392 0.006266 0.002191 26O 1s -0.001268 -0.002723 0.000321 0.000286 -0.004962 0.001421 26O 2s -0.005222 -0.008876 0.000269 0.002175 -0.021403 0.006559 26O 3s 0.081311 0.117370 0.014345 -0.056206 0.362250 -0.117416 26O 4s -0.234719 -0.385462 -0.053256 0.221999 -1.030496 0.342975 26O 5s -0.083546 -0.456779 -0.028762 0.044001 -0.146021 0.086786 26O 1pz 0.011553 0.035297 -0.001595 0.005638 -0.010946 0.007350 26O 1px -0.003767 0.018858 -0.008002 0.010245 -0.082201 0.029860 26O 1py -0.043958 0.035521 -0.011172 0.013486 -0.034517 -0.001199 26O 2pz -0.034265 -0.009777 0.015229 -0.029665 0.055423 -0.036756 26O 2px 0.080163 0.117636 0.079983 -0.140336 0.639841 -0.235066 26O 2py 0.185086 0.013007 0.062918 -0.092116 0.263712 -0.070568 26O 3pz 0.094142 0.002991 -0.095798 0.031401 0.081168 0.059010 26O 3px 0.147090 0.459139 -0.064484 -0.029012 0.129083 -0.022639 26O 3py -0.090481 0.174499 -0.035270 -0.022060 0.084098 -0.086314 26O 1dz2 0.035477 -0.039428 -0.032933 -0.007711 0.064019 0.007388 26O 1dxz 0.006046 0.046488 -0.021110 0.046474 -0.069132 0.010435 26O 1dyz 0.010586 -0.098045 0.009824 -0.021685 -0.063275 0.052063 26O 1dx2y2 0.027832 -0.038234 -0.023154 0.004443 -0.062228 0.013382 26O 1dxy -0.045483 -0.008926 -0.045077 0.047371 -0.115716 0.077594 26O 2dz2 0.026915 0.024009 0.043989 -0.034325 0.130908 -0.070315 26O 2dxz 0.010873 -0.052703 0.016522 -0.016086 -0.013694 0.001088 26O 2dyz -0.016319 0.009753 -0.000445 0.007395 0.022938 -0.026316 26O 2dx2y2 0.006079 -0.007401 -0.005111 0.028972 -0.160653 0.047140 26O 2dxy -0.063290 -0.027266 -0.009492 0.025758 -0.138698 0.042132 26O 1f0 -0.032292 0.062177 0.004018 0.006776 -0.086145 0.010405 26O 1f+1 -0.089652 -0.067090 -0.050434 0.037967 -0.158257 0.087410 26O 1f-1 -0.048368 -0.058570 -0.028529 0.031284 -0.093130 0.060924 26O 1f+2 -0.084988 0.017352 -0.010326 -0.012625 0.102775 -0.025562 26O 1f-2 0.021214 -0.132306 -0.010378 0.002206 0.055306 -0.005272 26O 1f+3 0.097813 -0.099280 0.014450 -0.017078 -0.049833 -0.016951 26O 1f-3 -0.032166 0.022895 -0.023962 0.038751 -0.226231 0.083097 27O 1s -0.001670 -0.002953 -0.000533 0.001927 -0.004392 0.004779 27O 2s -0.008757 -0.011969 -0.000983 0.008041 -0.019704 0.021489 27O 3s 0.144676 0.184937 -0.004863 -0.133764 0.347052 -0.380101 27O 4s -0.327966 -0.525403 0.015217 0.388122 -1.013869 1.119265 27O 5s 0.191510 -0.325825 0.201464 0.027975 -0.134529 0.219760 27O 1pz -0.024538 -0.026563 -0.003998 -0.001675 0.001502 -0.011390 27O 1px -0.088560 -0.042267 0.012187 0.026117 -0.087756 0.081547 27O 1py 0.067432 -0.005385 -0.001416 -0.009660 0.023691 -0.015285 27O 2pz 0.032134 0.094185 0.020599 0.012811 -0.038551 0.052015 27O 2px 0.299582 0.334481 -0.096694 -0.222368 0.699119 -0.752582 27O 2py -0.157297 -0.038199 0.019176 0.059833 -0.147554 0.154119 27O 3pz 0.035563 -0.165005 0.074890 -0.083325 -0.019370 0.017083 27O 3px -0.183678 0.236937 0.097780 -0.210836 0.051396 -0.204004 27O 3py 0.003741 -0.108566 -0.071280 0.135105 -0.007122 0.015397 27O 1dz2 -0.004716 0.016128 -0.028616 -0.036351 0.071439 0.012689 27O 1dxz -0.047859 -0.033080 -0.007722 0.002693 -0.036669 0.016742 27O 1dyz -0.171453 -0.013819 -0.031331 -0.005641 0.005754 -0.225206 27O 1dx2y2 -0.076782 -0.060805 -0.005982 0.037488 -0.100531 0.160666 27O 1dxy 0.085756 0.034681 -0.009211 -0.026652 0.134264 -0.192640 27O 2dz2 0.070787 0.060003 -0.003351 -0.040144 0.120743 -0.191615 27O 2dxz 0.024969 -0.031809 -0.014354 -0.012734 0.051135 -0.040456 27O 2dyz 0.066665 0.030274 0.020986 0.012343 -0.022175 0.150198 27O 2dx2y2 -0.066908 -0.086539 0.029343 0.073330 -0.212171 0.212471 27O 2dxy 0.038886 0.043969 -0.014248 -0.030201 0.038156 -0.012350 27O 1f0 -0.097109 -0.035066 -0.020525 -0.006580 0.009019 -0.024340 27O 1f+1 -0.141714 -0.036383 0.021950 0.067320 -0.173803 0.215516 27O 1f-1 0.070092 -0.035034 -0.006568 -0.022142 0.046471 -0.046105 27O 1f+2 -0.028798 0.010563 0.021526 -0.005976 0.020154 -0.047570 27O 1f-2 -0.119297 -0.051969 -0.028750 -0.020273 0.045748 -0.110066 27O 1f+3 0.032077 -0.132068 0.008584 0.062007 -0.181857 0.234242 27O 1f-3 0.221646 0.075079 -0.024631 -0.064890 0.197714 -0.195582 28O 1s 0.000825 0.003782 -0.000051 0.001778 -0.004270 0.001598 28O 2s 0.003285 0.017367 -0.001142 0.007103 -0.019225 0.007112 28O 3s -0.048488 -0.275766 0.035396 -0.111267 0.339849 -0.125062 28O 4s 0.130834 0.673190 -0.108037 0.318455 -0.997572 0.370859 28O 5s 0.120832 0.059145 -0.191893 -0.087911 -0.146991 0.101027 28O 1pz 0.024355 0.111161 -0.006335 0.015744 -0.061087 0.016647 28O 1px 0.006700 -0.069280 0.012671 -0.014443 0.062986 -0.021518 28O 1py -0.034386 0.043436 -0.001227 0.005724 -0.011263 0.000155 28O 2pz -0.128285 -0.421442 0.071480 -0.110069 0.450642 -0.166097 28O 2px 0.011919 0.366411 -0.107844 0.119086 -0.535924 0.196368 28O 2py 0.110214 -0.125205 0.016215 -0.024099 0.064789 -0.014116 28O 3pz 0.044785 -0.017669 -0.066162 -0.228251 -0.001088 0.016233 28O 3px 0.135274 -0.013940 -0.013660 0.071211 -0.062087 0.075619 28O 3py -0.128190 -0.023630 -0.004768 -0.060874 -0.001067 -0.025710 28O 1dz2 0.040407 0.041671 -0.000372 0.008696 -0.078440 0.164914 28O 1dxz -0.024852 -0.161457 0.024253 -0.046574 0.138303 0.070519 28O 1dyz -0.022581 -0.087673 -0.035149 -0.003442 -0.054782 0.017563 28O 1dx2y2 0.003256 -0.011830 -0.005069 0.007794 -0.040615 0.187716 28O 1dxy 0.026725 -0.144803 -0.018841 -0.009392 0.055190 -0.054906 28O 2dz2 0.043199 0.042778 0.005664 0.004851 0.015169 -0.089476 28O 2dxz -0.027275 -0.143665 0.030984 -0.054399 0.198499 -0.145618 28O 2dyz -0.014691 0.092318 0.004632 0.004726 0.009157 -0.000085 28O 2dx2y2 0.008020 0.101327 -0.027030 0.037459 -0.141649 -0.047567 28O 2dxy 0.025545 0.009175 0.026590 -0.006066 0.014204 0.014984 28O 1f0 -0.105362 0.025384 -0.040947 0.024025 -0.077732 0.077165 28O 1f+1 0.055223 0.246241 -0.005943 0.065185 -0.186314 0.069662 28O 1f-1 0.021230 -0.213348 -0.000904 0.001716 -0.011300 0.013935 28O 1f+2 -0.068320 -0.136897 0.028795 -0.061760 0.212150 -0.085573 28O 1f-2 -0.079282 0.131168 -0.025070 0.017641 -0.078394 0.027604 28O 1f+3 -0.043864 -0.061700 0.006018 -0.020282 0.064435 0.009094 28O 1f-3 -0.017856 0.048003 -0.024574 0.009478 -0.076649 0.020070 29O 1s -0.000712 -0.002409 -0.011487 0.008395 0.002743 0.001032 29O 2s -0.002060 -0.007048 -0.039609 0.028918 0.008397 0.003545 29O 3s 0.020939 0.073750 0.566088 -0.412988 -0.102506 -0.050124 29O 4s -0.079944 -0.253177 -1.332158 0.992234 0.213325 0.116291 29O 5s 0.233871 0.636839 0.066965 -0.156204 0.028905 -0.003820 29O 1pz 0.017078 -0.010928 -0.026878 0.020263 -0.002466 -0.004920 29O 1px 0.002512 -0.006739 0.048787 -0.039745 0.014510 -0.008223 29O 1py -0.004912 0.002807 -0.095438 0.066959 0.014720 0.012279 29O 2pz -0.085642 0.051313 0.174588 -0.127638 -0.009425 0.008432 29O 2px -0.015140 0.039873 -0.336980 0.254471 -0.014657 0.041691 29O 2py 0.012260 -0.017814 0.551537 -0.390854 -0.080206 -0.057486 29O 3pz 0.072614 0.001665 -0.015404 -0.001265 -0.019114 -0.005034 29O 3px -0.049563 -0.223187 0.070053 -0.016069 0.038152 0.002315 29O 3py -0.100154 -0.120550 0.070282 -0.040910 -0.052603 -0.013084 29O 1dz2 0.005866 0.028914 -0.540557 0.381996 0.095951 0.071955 29O 1dxz 0.010724 -0.011710 -0.228060 0.167395 -0.047732 -0.006791 29O 1dyz 0.033339 -0.016498 -0.036677 0.024870 -0.005863 -0.052913 29O 1dx2y2 0.017639 0.016836 -0.307907 0.205555 0.257107 0.005387 29O 1dxy -0.013975 -0.035084 0.425491 -0.295208 -0.082876 0.008301 29O 2dz2 0.013060 -0.029830 0.141726 -0.097090 -0.038473 -0.037291 29O 2dxz -0.023313 0.012937 0.008063 -0.005739 0.040903 0.017329 29O 2dyz 0.011237 -0.011191 -0.019512 0.014625 0.011902 0.029871 29O 2dx2y2 -0.010801 0.002256 0.219941 -0.151801 -0.160890 -0.005413 29O 2dxy 0.019454 0.007106 -0.058764 0.035844 0.026296 -0.023332 29O 1f0 -0.000588 0.000739 0.204378 -0.150984 -0.010473 -0.014505 29O 1f+1 -0.003989 -0.007128 -0.058398 0.045934 -0.008408 -0.005213 29O 1f-1 -0.017232 -0.007010 0.289526 -0.203900 -0.050450 -0.010448 29O 1f+2 0.011852 -0.011280 -0.104932 0.079409 0.008458 0.021745 29O 1f-2 0.006622 -0.022425 0.178240 -0.125155 -0.031379 -0.025519 29O 1f+3 0.000625 0.009566 -0.157683 0.114084 0.036902 0.013716 29O 1f-3 -0.015479 -0.010067 -0.060923 0.048356 -0.008549 0.019098 30O 1s -0.000208 0.002983 -0.000214 0.000269 -0.005120 0.004915 30O 2s -0.002951 0.011868 -0.000026 0.002604 -0.022047 0.021897 30O 3s 0.058364 -0.174116 -0.014237 -0.074319 0.371814 -0.384133 30O 4s -0.088520 0.466261 0.031557 0.288926 -1.054702 1.129460 30O 5s 0.290746 0.210544 0.086933 0.147653 -0.078961 0.222910 30O 1pz -0.059472 -0.009193 0.001106 0.007713 -0.050357 0.044622 30O 1px 0.022672 -0.027995 -0.007024 -0.008816 0.062808 -0.061414 30O 1py 0.079507 -0.042406 -0.006151 -0.019746 0.050193 -0.035129 30O 2pz 0.128513 -0.042037 -0.030777 -0.111195 0.355601 -0.383788 30O 2px -0.075561 0.192283 0.058220 0.149309 -0.503929 0.548429 30O 2py -0.162762 0.232347 0.048465 0.155528 -0.357968 0.382104 30O 3pz -0.132369 -0.249615 0.078999 0.028721 0.088019 -0.041886 30O 3px 0.266927 0.157966 0.007237 0.072083 -0.054055 0.174051 30O 3py 0.113036 0.026309 -0.068916 -0.012999 -0.096251 0.076783 30O 1dz2 -0.073044 -0.021201 0.009429 0.034642 0.025739 -0.121908 30O 1dxz 0.051805 -0.017645 0.009579 -0.010164 0.101334 -0.129835 30O 1dyz -0.066762 -0.016253 -0.049599 -0.043786 0.113279 -0.220538 30O 1dx2y2 0.048806 -0.027708 0.016971 -0.015630 0.035813 -0.079791 30O 1dxy -0.117388 0.087519 0.018756 0.070269 -0.080036 0.008036 30O 2dz2 0.034159 -0.048964 -0.019767 -0.037292 0.025362 0.010193 30O 2dxz 0.030662 -0.035408 -0.026002 -0.049902 0.149910 -0.144575 30O 2dyz 0.061808 -0.060872 0.015559 -0.010551 0.075479 -0.021626 30O 2dx2y2 -0.028082 -0.010933 0.002713 0.026376 -0.091393 0.121941 30O 2dxy -0.008623 0.063963 0.018136 0.037087 -0.169974 0.242232 30O 1f0 -0.142397 0.113779 0.023406 0.024476 -0.107016 0.090182 30O 1f+1 -0.040617 -0.033924 -0.004936 -0.000541 -0.068242 0.057338 30O 1f-1 -0.082661 -0.085371 -0.025519 -0.024439 -0.034924 -0.006734 30O 1f+2 -0.159970 0.016149 -0.021221 -0.022489 0.048472 -0.093200 30O 1f-2 0.118682 -0.091711 -0.017695 -0.043997 0.247651 -0.258415 30O 1f+3 -0.073205 0.067529 0.013364 0.041499 -0.118357 0.158039 30O 1f-3 -0.055674 -0.041396 -0.021666 -0.041422 0.150894 -0.210840 31O 1s 0.000171 -0.003018 0.000134 0.000289 -0.005142 -0.004911 31O 2s 0.002827 -0.011998 -0.000684 0.002359 -0.022142 -0.021884 31O 3s -0.056912 0.175970 0.033843 -0.064403 0.373568 0.384027 31O 4s 0.084927 -0.471528 -0.109012 0.259711 -1.060204 -1.129442 31O 5s -0.291423 -0.214852 -0.112514 0.108462 -0.085988 -0.223835 31O 1pz -0.059327 -0.009064 0.003257 -0.006982 0.050429 0.044659 31O 1px 0.022353 -0.028267 -0.009245 0.005983 -0.063010 -0.061355 31O 1py 0.079548 -0.042450 -0.011762 0.017059 -0.050228 -0.035080 31O 2pz 0.127584 -0.043681 -0.059543 0.095098 -0.357471 -0.384142 31O 2px -0.074127 0.194517 0.096159 -0.121504 0.506768 0.548404 31O 2py -0.162225 0.233826 0.089842 -0.132368 0.359757 0.382092 31O 3pz -0.133198 -0.251625 0.086153 -0.004648 -0.089475 -0.041811 31O 3px 0.267828 0.160532 0.024103 -0.065141 0.056577 0.174615 31O 3py 0.114146 0.028619 -0.070044 -0.008288 0.096640 0.076551 31O 1dz2 0.073825 0.021767 -0.019775 0.031031 0.026924 0.122213 31O 1dxz -0.051559 0.018063 -0.007532 -0.011233 0.103165 0.130325 31O 1dyz 0.067359 0.017050 0.059573 -0.025988 0.113640 0.220317 31O 1dx2y2 -0.048753 0.027514 -0.012115 -0.019693 0.036766 0.080300 31O 1dxy 0.117845 -0.087434 -0.038338 0.061111 -0.079866 -0.007851 31O 2dz2 -0.034461 0.048716 0.030106 -0.029876 0.024822 -0.010477 31O 2dxz -0.030489 0.036047 0.038850 -0.039361 0.149958 0.144382 31O 2dyz -0.061621 0.061323 -0.012416 -0.014249 0.076098 0.021787 31O 2dx2y2 0.028224 0.010964 -0.009672 0.023815 -0.092321 -0.122253 31O 2dxy 0.008057 -0.064794 -0.027241 0.029058 -0.171066 -0.242274 31O 1f0 -0.142518 0.113813 0.029933 -0.016206 0.106922 0.089942 31O 1f+1 -0.040444 -0.033457 -0.005460 -0.000705 0.068479 0.057433 31O 1f-1 -0.082465 -0.085018 -0.032031 0.016068 0.035224 -0.006600 31O 1f+2 -0.159981 0.015824 -0.026470 0.014923 -0.048653 -0.093197 31O 1f-2 0.118003 -0.092583 -0.029562 0.036054 -0.248340 -0.258344 31O 1f+3 -0.072480 0.067999 0.025174 -0.035561 0.118496 0.157976 31O 1f-3 -0.055976 -0.041880 -0.032402 0.032390 -0.151670 -0.210891 32O 1s 0.000680 0.002421 0.008399 0.011441 0.002746 -0.001090 32O 2s 0.001966 0.007083 0.028987 0.039439 0.008414 -0.003741 32O 3s -0.020105 -0.074162 -0.414596 -0.563589 -0.102790 0.052711 32O 4s 0.078069 0.253849 0.969771 1.346037 0.214083 -0.122282 32O 5s -0.229180 -0.636597 -0.016520 -0.169506 0.028691 0.006453 32O 1pz 0.016793 -0.011222 -0.017970 -0.025375 0.002644 -0.004978 32O 1px 0.002268 -0.006556 0.035066 0.053232 -0.014446 -0.008501 32O 1py -0.004630 0.002516 -0.070845 -0.092620 -0.014742 0.012592 32O 2pz -0.083591 0.052870 0.119209 0.162348 0.008366 0.008785 32O 2px -0.014160 0.039463 -0.247392 -0.347790 0.014171 0.043222 32O 2py 0.010741 -0.016323 0.408344 0.539168 0.080595 -0.059179 32O 3pz 0.072587 0.001364 -0.014585 -0.003268 0.018517 -0.004966 32O 3px -0.049214 -0.222142 0.062113 0.036209 -0.038552 0.002649 32O 3py -0.098639 -0.121129 0.054815 0.060412 0.052820 -0.012846 32O 1dz2 -0.004039 -0.029327 0.399224 0.525838 0.095921 -0.075109 32O 1dxz -0.010266 0.011069 0.171548 0.233729 -0.045770 0.005475 32O 1dyz -0.033310 0.015844 0.049194 0.062837 0.003077 0.049598 32O 1dx2y2 -0.017224 -0.018087 0.235057 0.293682 0.259235 -0.007866 32O 1dxy 0.014439 0.034527 -0.310099 -0.401367 -0.080862 -0.008809 32O 2dz2 -0.012211 0.029385 -0.105345 -0.134709 -0.038393 0.038329 32O 2dxz 0.023278 -0.013303 -0.007374 -0.009363 0.039955 -0.017176 32O 2dyz -0.010809 0.012186 0.006715 0.010208 0.007474 -0.028384 32O 2dx2y2 0.011079 -0.002231 -0.165224 -0.212893 -0.162166 0.006831 32O 2dxy -0.018881 -0.007188 0.043451 0.049778 0.025247 0.023942 32O 1f0 -0.000295 0.001033 0.136890 0.188857 0.007979 -0.015065 32O 1f+1 -0.003688 -0.006595 -0.050200 -0.072687 0.006832 -0.003250 32O 1f-1 -0.016603 -0.007051 0.220578 0.289877 0.051262 -0.012071 32O 1f+2 0.011817 -0.011532 -0.086044 -0.120518 -0.010432 0.023375 32O 1f-2 0.006175 -0.022825 0.130595 0.170616 0.032131 -0.026088 32O 1f+3 0.001425 0.009174 -0.111342 -0.150154 -0.036223 0.013345 32O 1f-3 -0.015502 -0.009662 -0.042754 -0.063228 0.008219 0.018961 33O 1s -0.000823 -0.003822 -0.000486 0.001732 -0.004241 -0.001574 33O 2s -0.003286 -0.017516 -0.001065 0.007187 -0.019094 -0.007018 33O 3s 0.048762 0.277741 0.000547 -0.117627 0.337560 0.123564 33O 4s -0.132268 -0.678085 0.003672 0.339016 -0.990610 -0.366277 33O 5s -0.122215 -0.060444 0.198018 -0.023846 -0.143642 -0.100247 33O 1pz 0.024441 0.111381 -0.001481 -0.016648 0.060821 0.016444 33O 1px 0.006614 -0.069724 0.007815 0.017564 -0.062689 -0.021320 33O 1py -0.034267 0.043471 0.000472 -0.005687 0.011451 0.000252 33O 2pz -0.129067 -0.423143 0.033568 0.125937 -0.447500 -0.164067 33O 2px 0.012990 0.368869 -0.065093 -0.146832 0.532607 0.194417 33O 2py 0.109524 -0.125663 0.008091 0.027543 -0.065418 -0.014368 33O 3pz 0.043754 -0.019309 -0.136133 0.199001 0.002264 0.015726 33O 3px 0.136098 -0.012451 0.013182 -0.073383 0.060361 0.075210 33O 3py -0.129209 -0.024569 -0.024668 0.058051 0.001493 -0.025749 33O 1dz2 -0.040174 -0.041722 -0.002627 0.008565 -0.077972 -0.165058 33O 1dxz 0.024852 0.161768 -0.008840 -0.052301 0.136787 -0.071002 33O 1dyz 0.022154 0.086996 0.034046 0.007092 -0.053763 -0.017241 33O 1dx2y2 -0.003461 0.011024 0.001504 0.009201 -0.040715 -0.187400 33O 1dxy -0.026088 0.144852 0.020576 -0.003660 0.055752 0.055253 33O 2dz2 -0.043214 -0.042941 -0.006883 0.002706 0.015440 0.089928 33O 2dxz 0.027720 0.144531 -0.012248 -0.060863 0.197414 0.144837 33O 2dyz 0.014399 -0.092500 -0.005874 0.003589 0.008551 -0.000117 33O 2dx2y2 -0.008289 -0.101596 0.014440 0.043781 -0.140685 0.047862 33O 2dxy -0.025359 -0.008612 -0.023173 -0.013835 0.013985 -0.015122 33O 1f0 -0.105172 0.025502 -0.031489 -0.035317 0.077404 0.077170 33O 1f+1 0.054987 0.246310 0.013799 -0.063306 0.184806 0.068643 33O 1f-1 0.020405 -0.213557 -0.000203 -0.001556 0.010858 0.013758 33O 1f+2 -0.068569 -0.138008 0.008878 0.066907 -0.210980 -0.084946 33O 1f-2 -0.078375 0.132507 -0.018502 -0.024787 0.078397 0.027616 33O 1f+3 -0.044126 -0.062422 -0.000250 0.020771 -0.064176 0.009245 33O 1f-3 -0.017205 0.049268 -0.020432 -0.016481 0.076510 0.019940 34O 1s 0.001709 0.002996 -0.000053 0.002016 -0.004397 -0.004780 34O 2s 0.008892 0.012121 -0.001384 0.008018 -0.019736 -0.021503 34O 3s -0.146463 -0.186892 0.042696 -0.126790 0.347773 0.380447 34O 4s 0.333087 0.530655 -0.124085 0.368121 -1.015882 -1.120431 34O 5s -0.189545 0.326578 -0.189246 -0.027254 -0.135665 -0.221081 34O 1pz -0.024358 -0.026502 -0.004300 0.000509 -0.001600 -0.011369 34O 1px -0.088873 -0.042780 0.019115 -0.020955 0.088062 0.081645 34O 1py 0.067420 -0.005389 -0.004220 0.008504 -0.023865 -0.015294 34O 2pz 0.031658 0.093997 0.023368 -0.006598 0.038873 0.052101 34O 2px 0.302392 0.337560 -0.153668 0.183214 -0.701247 -0.753482 34O 2py -0.157980 -0.038830 0.035094 -0.050721 0.148458 0.154349 34O 3pz 0.036025 -0.165230 0.045942 0.101768 0.019127 0.017035 34O 3px -0.181826 0.237391 0.035345 0.234834 -0.051368 -0.205253 34O 3py 0.003464 -0.109022 -0.028957 -0.152591 0.006099 0.016208 34O 1dz2 0.004115 -0.016624 0.037480 -0.026502 0.071340 -0.012692 34O 1dxz 0.047558 0.032828 0.006290 0.004603 -0.036836 -0.016498 34O 1dyz 0.170526 0.013330 0.030480 0.004325 0.006402 0.225272 34O 1dx2y2 0.076814 0.060882 -0.004798 0.037890 -0.100690 -0.160851 34O 1dxy -0.085786 -0.034902 0.016205 -0.022660 0.134689 0.192946 34O 2dz2 -0.071029 -0.060368 0.014421 -0.037106 0.121274 0.191824 34O 2dxz -0.024901 0.031928 0.017587 -0.007821 0.051323 0.040452 34O 2dyz -0.066241 -0.030105 -0.023124 0.005147 -0.022651 -0.150260 34O 2dx2y2 0.067544 0.087152 -0.048412 0.060661 -0.213020 -0.212703 34O 2dxy -0.039488 -0.044554 0.022018 -0.024888 0.038198 0.012393 34O 1f0 -0.096789 -0.034957 -0.021454 0.000353 -0.009008 -0.024418 34O 1f+1 -0.141983 -0.037013 0.040566 -0.057025 0.174474 0.215686 34O 1f-1 0.070327 -0.034843 -0.012837 0.019161 -0.046578 -0.046052 34O 1f+2 -0.028546 0.010731 0.019002 0.011847 -0.020352 -0.047449 34O 1f-2 -0.118781 -0.051928 -0.033063 0.010597 -0.046098 -0.110122 34O 1f+3 0.031756 -0.132472 0.025749 -0.055269 0.183000 0.234454 34O 1f-3 0.222340 0.075868 -0.042105 0.054109 -0.198290 -0.195698 35O 1s 0.001273 0.002771 -0.000379 0.000162 -0.004944 -0.001416 35O 2s 0.005242 0.009065 -0.000888 0.001929 -0.021322 -0.006525 35O 3s -0.081514 -0.120233 0.003737 -0.056541 0.360889 0.116635 35O 4s 0.234915 0.393918 -0.019745 0.222767 -1.026873 -0.340522 35O 5s 0.085347 0.464061 0.000260 0.039819 -0.149024 -0.086540 35O 1pz 0.011620 0.035418 0.000166 -0.006109 0.010797 0.007259 35O 1px -0.003911 0.018229 -0.004693 -0.012234 0.081789 0.029705 35O 1py -0.044006 0.035055 -0.006570 -0.016396 0.034353 -0.001228 35O 2pz -0.034464 -0.009672 0.004858 0.033197 -0.054637 -0.036293 35O 2px 0.080661 0.122647 0.030842 0.154632 -0.637399 -0.233387 35O 2py 0.185392 0.016769 0.030453 0.105984 -0.262923 -0.070145 35O 3pz 0.092671 0.002505 -0.080703 -0.058258 -0.081266 0.058714 35O 3px 0.146277 0.461491 -0.074767 0.005273 -0.129322 -0.022833 35O 3py -0.090963 0.175536 -0.040429 0.010897 -0.084159 -0.086570 35O 1dz2 -0.035438 0.039262 0.034223 0.003589 0.065250 -0.007816 35O 1dxz -0.006159 -0.047394 0.005839 0.050343 -0.068715 -0.010010 35O 1dyz -0.010758 0.098574 -0.003424 -0.024531 -0.062831 -0.051810 35O 1dx2y2 -0.028021 0.037770 0.020406 0.010588 -0.061508 -0.013154 35O 1dxy 0.046012 0.010428 0.028247 0.058106 -0.115128 -0.077279 35O 2dz2 -0.026964 -0.024994 -0.031221 -0.045996 0.129469 0.070096 35O 2dxz -0.010945 0.053170 -0.011174 -0.020573 -0.013524 -0.001030 35O 2dyz 0.016256 -0.009645 -0.001655 0.007328 0.022742 0.026268 35O 2dx2y2 -0.006107 0.007782 -0.004431 0.028471 -0.160053 -0.046505 35O 2dxy 0.063261 0.028941 0.000715 0.027096 -0.138447 -0.041899 35O 1f0 -0.031816 0.062542 0.005834 -0.005189 0.085272 0.010037 35O 1f+1 -0.089666 -0.067992 -0.036602 -0.051574 0.156880 0.086915 35O 1f-1 -0.048805 -0.059763 -0.017718 -0.038701 0.092384 0.060823 35O 1f+2 -0.084814 0.017075 -0.013852 0.008675 -0.101897 -0.025206 35O 1f-2 0.020594 -0.132337 -0.008762 -0.005022 -0.055009 -0.005053 35O 1f+3 0.098175 -0.097736 0.008814 0.021313 0.049115 -0.017616 35O 1f-3 -0.032454 0.021136 -0.011691 -0.044519 0.225279 0.082501 684 685 686 687 688 689 6.30950 6.31164 6.35028 6.37880 6.38140 6.40488 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s -0.000005 -0.000141 0.000000 -0.000018 -0.000216 -0.000024 0Rh 2s 0.000129 0.000805 -0.000059 0.000096 0.001298 0.000142 0Rh 3s 0.000044 -0.000383 -0.000033 -0.000055 -0.000547 -0.000063 0Rh 4s -0.000768 -0.005335 0.000326 -0.000651 -0.008593 -0.000938 0Rh 5s 0.002306 0.014800 -0.000845 0.001840 0.024159 0.002558 0Rh 6s -0.003877 -0.017280 0.001107 -0.002162 -0.029413 -0.002767 0Rh 7s 0.015178 0.033876 -0.000315 0.007900 0.073260 0.007011 0Rh 8s 0.012129 0.017712 -0.002855 -0.007936 0.010310 0.004106 0Rh 1pz -0.018534 0.020482 -0.000039 -0.008068 -0.002872 0.008145 0Rh 1px -0.004649 0.001368 -0.000328 -0.003783 0.001342 0.003159 0Rh 1py -0.003855 0.035199 -0.001616 0.002869 -0.011621 -0.000363 0Rh 2pz 0.077603 -0.085747 0.000140 0.033356 0.011809 -0.034380 0Rh 2px 0.019444 -0.005683 0.001372 0.015678 -0.005569 -0.013337 0Rh 2py 0.016151 -0.147385 0.006763 -0.011833 0.048242 0.001546 0Rh 3pz -0.256630 0.283298 0.000048 -0.100272 -0.034113 0.118716 0Rh 3px -0.063866 0.017856 -0.004522 -0.048068 0.017261 0.046184 0Rh 3py -0.053658 0.487529 -0.022237 0.034948 -0.149614 -0.005537 0Rh 4pz 0.340686 -0.375490 -0.001982 0.093606 0.026411 -0.168815 0Rh 4px 0.083457 -0.020839 0.005888 0.048829 -0.018035 -0.066360 0Rh 4py 0.071983 -0.647581 0.028782 -0.030320 0.158651 0.007970 0Rh 5pz -0.201154 0.222130 0.005589 0.053661 0.035762 0.110262 0Rh 5px -0.047189 0.007910 -0.003043 0.013364 -0.006308 0.045331 0Rh 5py -0.043647 0.383768 -0.013638 -0.025451 0.021280 -0.004698 0Rh 6pz 0.126575 -0.136465 0.056458 -0.389688 -0.229677 -0.329953 0Rh 6px 0.015778 -0.039974 0.026386 -0.159227 0.122079 -0.146853 0Rh 6py 0.027403 -0.252018 -0.026755 0.178735 -0.528405 0.079259 0Rh 1dz2 -0.001026 0.001681 -0.006762 0.008824 0.004380 -0.008533 0Rh 1dxz 0.001334 -0.001167 -0.001016 -0.013219 -0.005077 0.009700 0Rh 1dyz 0.000241 0.000255 -0.019676 -0.002232 0.004553 -0.001489 0Rh 1dx2y2 0.000552 -0.000529 -0.003316 -0.006353 0.002271 0.003981 0Rh 1dxy 0.000188 -0.002649 -0.008216 0.004775 -0.013308 -0.003341 0Rh 2dz2 0.000494 -0.000785 0.003235 -0.003578 -0.001769 0.003235 0Rh 2dxz -0.000880 0.000967 0.000346 0.005300 0.002080 -0.003941 0Rh 2dyz -0.000173 -0.000087 0.009104 0.000864 -0.001865 0.000625 0Rh 2dx2y2 -0.000209 -0.000179 0.001530 0.002542 -0.001038 -0.001629 0Rh 2dxy -0.000107 0.001630 0.003726 -0.001892 0.005242 0.001366 0Rh 3dz2 0.003176 -0.005317 0.022121 -0.031116 -0.015504 0.031272 0Rh 3dxz -0.002922 0.001596 0.003812 0.046920 0.017846 -0.034214 0Rh 3dyz -0.000469 -0.000967 0.065467 0.007960 -0.016070 0.005190 0Rh 3dx2y2 -0.002018 0.003800 0.011005 0.022516 -0.007483 -0.013961 0Rh 3dxy -0.000511 0.006439 0.027659 -0.017105 0.047668 0.011748 0Rh 4dz2 -0.006089 0.010245 -0.054454 0.067511 0.033819 -0.068360 0Rh 4dxz 0.003555 0.000154 -0.007564 -0.101724 -0.038823 0.072588 0Rh 4dyz 0.000646 0.001823 -0.157576 -0.016121 0.035781 -0.011597 0Rh 4dx2y2 0.004616 -0.010752 -0.025872 -0.048471 0.016114 0.029553 0Rh 4dxy 0.000996 -0.009863 -0.066177 0.037759 -0.103273 -0.025050 0Rh 5dz2 -0.000501 -0.001944 0.094621 -0.093947 -0.046580 0.089342 0Rh 5dxz 0.016980 -0.031008 0.006826 0.142560 0.055782 -0.084424 0Rh 5dyz -0.000102 0.008401 0.261269 0.020766 -0.051789 0.016911 0Rh 5dx2y2 -0.007082 0.033538 0.040559 0.066837 -0.023978 -0.035553 0Rh 5dxy -0.000026 -0.018123 0.109049 -0.054542 0.146033 0.029135 0Rh 1f0 -0.002009 -0.004839 -0.004202 -0.016004 0.010199 0.013004 0Rh 1f+1 -0.000723 -0.000908 0.005162 -0.007296 -0.000606 0.014439 0Rh 1f-1 0.005373 -0.014386 -0.003981 0.011046 0.021059 -0.006154 0Rh 1f+2 -0.004922 0.001942 -0.004330 -0.016410 0.002801 0.000820 0Rh 1f-2 0.000438 -0.006228 0.011699 -0.002318 0.009781 -0.002898 0Rh 1f+3 0.002114 0.000113 -0.000493 0.008076 0.000180 0.000629 0Rh 1f-3 -0.001172 0.002307 -0.006789 -0.001142 -0.006769 0.000136 1Rh 1s 0.000000 0.000141 0.000003 -0.000015 -0.000220 0.000030 1Rh 2s -0.000107 -0.000799 -0.000076 0.000069 0.001332 -0.000179 1Rh 3s -0.000062 0.000390 -0.000028 -0.000052 -0.000554 0.000076 1Rh 4s 0.000618 0.005305 0.000434 -0.000482 -0.008805 0.001179 1Rh 5s -0.001892 -0.014725 -0.001143 0.001352 0.024764 -0.003248 1Rh 6s 0.003478 0.017141 0.001470 -0.001483 -0.030211 0.003683 1Rh 7s -0.015140 -0.033293 -0.000886 0.006653 0.075808 -0.010416 1Rh 8s -0.012960 -0.016990 -0.004212 -0.009831 0.010721 -0.003573 1Rh 1pz -0.018409 0.020532 -0.000082 0.008048 0.002883 0.008380 1Rh 1px -0.004675 0.001367 0.000316 0.003783 -0.001418 0.003223 1Rh 1py -0.003792 0.035225 0.001697 -0.002842 0.011666 -0.000810 1Rh 2pz 0.077078 -0.085955 0.000367 -0.033272 -0.011858 -0.035363 1Rh 2px 0.019554 -0.005678 -0.001321 -0.015677 0.005890 -0.013605 1Rh 2py 0.015887 -0.147494 -0.007102 0.011717 -0.048429 0.003419 1Rh 3pz -0.254857 0.284001 -0.001727 0.099984 0.034306 0.121960 1Rh 3px -0.064258 0.017852 0.004331 0.048049 -0.018337 0.047010 1Rh 3py -0.052764 0.487903 0.023406 -0.034543 0.150243 -0.011714 1Rh 4pz 0.338217 -0.376445 0.004209 -0.093188 -0.026757 -0.173044 1Rh 4px 0.084076 -0.020864 -0.005556 -0.048749 0.019501 -0.067211 1Rh 4py 0.070727 -0.648100 -0.030457 0.029741 -0.159513 0.015990 1Rh 5pz -0.199582 0.222684 -0.006906 -0.053964 -0.035356 0.112215 1Rh 5px -0.047735 0.007966 0.002674 -0.013590 0.005369 0.044996 1Rh 5py -0.042831 0.384084 0.014786 0.025833 -0.020761 -0.008344 1Rh 6pz 0.127848 -0.137329 -0.054941 0.391069 0.226804 -0.319173 1Rh 6px 0.015460 -0.039348 -0.024940 0.162038 -0.119004 -0.136795 1Rh 6py 0.029648 -0.253635 0.022619 -0.179809 0.528400 0.060302 1Rh 1dz2 0.001073 -0.001734 -0.006778 0.008806 0.004482 0.008350 1Rh 1dxz -0.001322 0.001150 -0.001020 -0.013165 -0.005137 -0.009665 1Rh 1dyz -0.000232 -0.000296 -0.019680 -0.002288 0.004629 0.001351 1Rh 1dx2y2 -0.000588 0.000523 -0.003257 -0.006292 0.002260 -0.003941 1Rh 1dxy -0.000172 0.002606 -0.008305 0.004703 -0.013277 0.003071 1Rh 2dz2 -0.000512 0.000803 0.003242 -0.003562 -0.001805 -0.003148 1Rh 2dxz 0.000879 -0.000960 0.000348 0.005284 0.002104 0.003928 1Rh 2dyz 0.000169 0.000100 0.009108 0.000884 -0.001896 -0.000576 1Rh 2dx2y2 0.000216 0.000185 0.001511 0.002520 -0.001029 0.001607 1Rh 2dxy 0.000099 -0.001612 0.003762 -0.001865 0.005231 -0.001245 1Rh 3dz2 -0.003345 0.005513 0.022175 -0.031094 -0.015884 -0.030686 1Rh 3dxz 0.002863 -0.001535 0.003824 0.046699 0.018066 0.034083 1Rh 3dyz 0.000440 0.001127 0.065474 0.008164 -0.016341 -0.004661 1Rh 3dx2y2 0.002174 -0.003795 0.010774 0.022293 -0.007470 0.013854 1Rh 3dxy 0.000460 -0.006292 0.027970 -0.016844 0.047550 -0.010853 1Rh 4dz2 0.006453 -0.010684 -0.054574 0.067544 0.034653 0.067132 1Rh 4dxz -0.003421 -0.000271 -0.007595 -0.101209 -0.039305 -0.072304 1Rh 4dyz -0.000578 -0.002222 -0.157613 -0.016553 0.036368 0.010274 1Rh 4dx2y2 -0.004946 0.010729 -0.025336 -0.048002 0.016138 -0.029384 1Rh 4dxy -0.000875 0.009526 -0.066826 0.037194 -0.103009 0.023169 1Rh 5dz2 0.000046 0.002624 0.094931 -0.094503 -0.047596 -0.087951 1Rh 5dxz -0.017093 0.031160 0.006915 0.141686 0.056387 0.084238 1Rh 5dyz 0.000083 -0.007673 0.261558 0.020886 -0.052346 -0.014564 1Rh 5dx2y2 0.007445 -0.033479 0.039594 0.066402 -0.024162 0.035650 1Rh 5dxy -0.000108 0.018647 0.109754 -0.053878 0.145776 -0.027196 1Rh 1f0 -0.001992 -0.004863 0.004140 0.015986 -0.010134 0.013113 1Rh 1f+1 -0.000689 -0.000876 -0.005195 0.007220 0.000667 0.014432 1Rh 1f-1 0.005401 -0.014384 0.003994 -0.011042 -0.021084 -0.006150 1Rh 1f+2 -0.004965 0.001958 0.004246 0.016355 -0.002813 0.000799 1Rh 1f-2 0.000455 -0.006223 -0.011689 0.002375 -0.009824 -0.002956 1Rh 1f+3 0.002099 0.000141 0.000485 -0.008080 -0.000142 0.000667 1Rh 1f-3 -0.001148 0.002328 0.006851 0.001166 0.006823 0.000093 2C 1s 0.000675 -0.001312 -0.002051 0.000121 0.000199 0.000335 2C 2s 0.003852 -0.008029 -0.005312 0.000388 0.000353 -0.000045 2C 3s -0.135896 0.277349 -0.046914 -0.006650 -0.000297 0.079879 2C 4s 0.683552 -1.380559 0.342215 0.027839 -0.024102 -0.428991 2C 5s -0.293293 0.578518 0.812376 -0.070710 -0.047940 -0.035230 2C 1pz -0.026300 0.060678 0.014294 -0.000558 0.001677 0.002259 2C 1px -0.001207 0.008123 -0.000542 -0.000635 -0.002891 -0.002253 2C 1py -0.021061 0.035109 0.010890 -0.000431 -0.001035 0.016884 2C 2pz 0.326503 -0.756324 0.189162 -0.027694 -0.019301 -0.215165 2C 2px 0.009315 -0.067434 0.093722 -0.016705 -0.001168 -0.023972 2C 2py 0.311687 -0.458570 0.112461 0.040190 -0.052278 -0.253557 2C 3pz -0.008657 0.050323 0.185911 0.008330 -0.002874 -0.036003 2C 3px 0.016826 -0.037112 0.019381 -0.014425 0.003587 -0.005647 2C 3py -0.033869 0.022694 0.115798 -0.015281 0.004875 -0.012873 2C 1dz2 0.004226 0.001033 0.023156 -0.001999 -0.006815 -0.021321 2C 1dxz 0.005549 0.005704 0.014210 0.007619 0.002764 -0.012232 2C 1dyz 0.002785 -0.009482 0.033746 -0.002908 -0.002647 -0.010051 2C 1dx2y2 0.006190 -0.002077 -0.016713 0.004172 -0.000908 -0.001917 2C 1dxy -0.000481 -0.007899 0.004085 -0.000106 0.006597 0.002663 2C 2dz2 0.094307 -0.172533 0.033745 0.021436 -0.033859 -0.026694 2C 2dxz 0.085884 -0.154793 -0.047515 0.017659 0.010068 -0.010488 2C 2dyz 0.094671 -0.198505 0.077264 -0.017416 -0.007619 -0.117292 2C 2dx2y2 -0.053799 0.102326 0.014968 0.001827 -0.008986 0.042922 2C 2dxy 0.004030 -0.054147 0.010536 -0.011277 0.020617 0.005589 2C 1f0 0.017042 0.007329 0.014182 0.017604 -0.027785 -0.005668 2C 1f+1 -0.024776 0.012039 0.028790 -0.014638 0.020980 -0.009696 2C 1f-1 0.016253 -0.062148 0.004470 -0.014540 0.005477 -0.017699 2C 1f+2 -0.009272 0.000226 -0.027473 -0.007853 0.008891 0.015310 2C 1f-2 0.029750 -0.025527 0.003242 0.027059 0.004103 -0.000467 2C 1f+3 0.027426 0.002833 -0.006258 0.027182 -0.016885 -0.004054 2C 1f-3 -0.011116 0.030317 0.024478 -0.001051 -0.009902 -0.001374 3C 1s 0.000069 0.000998 0.001989 -0.000127 -0.000027 0.001246 3C 2s 0.001403 0.004329 0.005141 -0.000147 -0.000436 0.001078 3C 3s -0.052317 -0.147540 0.049465 -0.015280 0.011234 0.072971 3C 4s 0.264702 0.732140 -0.356194 0.076850 -0.056472 -0.390174 3C 5s -0.072707 -0.392464 -0.810278 -0.102534 0.164145 -0.125511 3C 1pz -0.003969 -0.028751 -0.010649 0.001728 0.001187 -0.008726 3C 1px -0.001973 -0.010635 -0.002785 -0.003027 0.002092 0.001388 3C 1py 0.014787 0.020157 0.012362 -0.001032 -0.001195 -0.014166 3C 2pz 0.089653 0.362746 -0.072145 -0.011776 -0.040522 -0.004976 3C 2px 0.047052 0.140646 -0.117515 -0.004601 -0.032665 -0.077889 3C 2py -0.132294 -0.317458 0.206840 -0.043811 -0.015300 0.246572 3C 3pz -0.006207 -0.058337 -0.108539 -0.000751 0.020208 -0.045363 3C 3px -0.009967 -0.001993 -0.056980 -0.002110 0.027425 -0.006966 3C 3py -0.001588 0.006655 0.179657 0.013237 -0.019317 0.033491 3C 1dz2 -0.000824 -0.006427 0.002483 -0.001548 0.002388 -0.005234 3C 1dxz -0.000562 -0.005298 -0.015357 0.005958 -0.000124 -0.012923 3C 1dyz -0.000244 0.000019 0.026706 -0.001257 -0.007280 0.017480 3C 1dx2y2 0.002607 -0.009838 0.025494 0.003213 -0.002099 -0.001339 3C 1dxy -0.002178 -0.006337 0.021956 -0.004242 0.007697 0.006556 3C 2dz2 -0.029516 0.015949 0.013098 -0.004077 0.007477 0.061282 3C 2dxz 0.012561 0.070145 0.008293 0.015683 -0.006745 0.002150 3C 2dyz -0.009545 -0.087568 0.092753 -0.011540 -0.015161 0.067020 3C 2dx2y2 -0.066347 -0.106730 0.000573 0.019797 0.022557 0.031121 3C 2dxy -0.021808 -0.097355 0.006609 -0.018402 0.006723 0.017915 3C 1f0 -0.028050 -0.032548 -0.011419 0.017083 0.023461 -0.001575 3C 1f+1 0.007391 -0.006253 -0.020646 -0.014271 -0.012013 -0.012193 3C 1f-1 0.018784 0.000797 -0.000385 -0.006205 -0.022532 -0.005387 3C 1f+2 0.000230 -0.018810 0.004528 -0.005640 -0.015436 0.019707 3C 1f-2 -0.014400 -0.013959 0.025047 -0.001111 0.024589 0.020588 3C 1f+3 -0.018252 -0.003518 -0.022512 0.026915 0.015960 -0.015315 3C 1f-3 0.000709 0.008290 0.024338 0.012361 -0.008088 0.006169 4C 1s -0.025685 0.055859 0.053711 -0.002635 -0.001181 -0.002854 4C 2s -0.037991 0.082496 0.077953 -0.003956 -0.001817 -0.002393 4C 3s 0.180506 -0.386701 0.031130 -0.007399 -0.005030 -0.131282 4C 4s 0.270716 -0.627229 -2.559370 0.158800 0.069855 0.677627 4C 5s 0.121527 -0.206988 0.124795 0.039794 -0.027967 -0.067874 4C 1pz 0.033105 -0.080304 -0.136163 -0.002604 -0.006994 0.018439 4C 1px 0.007122 -0.016937 -0.019915 0.031419 0.042272 0.000014 4C 1py 0.024515 -0.052556 -0.088542 0.009705 0.011935 0.007807 4C 2pz 0.656476 -1.352453 -0.598562 0.121526 0.117818 -0.212354 4C 2px 0.165497 -0.248834 -0.139152 -0.234634 -0.415326 -0.058907 4C 2py 0.445314 -0.950705 -0.424333 -0.006134 -0.091355 0.005488 4C 3pz -0.004122 0.029672 0.781589 -0.016918 -0.010793 -0.101835 4C 3px 0.002616 -0.002591 0.169850 0.051611 0.011051 -0.017877 4C 3py 0.005336 0.011805 0.544068 0.010221 -0.003152 -0.076408 4C 1dz2 -0.045849 0.141179 0.141904 0.010618 0.000382 -0.033266 4C 1dxz -0.106660 0.218927 0.245355 -0.040830 -0.015515 -0.037716 4C 1dyz 0.010034 -0.060696 -0.046792 -0.013649 0.011998 0.022502 4C 1dx2y2 0.147831 -0.344731 -0.382390 -0.001550 0.023366 0.002069 4C 1dxy 0.098834 -0.152950 -0.174503 0.032127 -0.038160 0.015275 4C 2dz2 -0.155814 0.238134 0.023290 0.049909 0.072124 0.107676 4C 2dxz -0.109253 0.222056 0.111059 -0.106733 -0.101273 0.057183 4C 2dyz -0.111560 0.263006 -0.182061 0.003673 0.035455 0.098532 4C 2dx2y2 0.162469 -0.347855 -0.242485 0.018553 -0.010405 0.038667 4C 2dxy 0.025765 -0.064150 -0.186628 -0.040523 -0.095242 0.059185 4C 1f0 -0.006756 0.108827 0.111972 0.058864 -0.028404 0.011262 4C 1f+1 -0.145792 0.192904 0.239007 -0.081753 0.012374 -0.001799 4C 1f-1 -0.034076 0.010655 0.089449 -0.021354 0.052701 -0.038423 4C 1f+2 0.057739 -0.181672 -0.210392 -0.003758 0.048458 0.020408 4C 1f-2 0.030529 0.024638 0.023879 0.003104 -0.083505 -0.061716 4C 1f+3 0.055290 -0.018519 -0.012816 0.080832 -0.040369 0.062923 4C 1f-3 -0.071561 0.213207 0.201955 0.033381 0.016879 -0.091834 5C 1s -0.011947 -0.024709 -0.051758 0.003228 0.004248 -0.003840 5C 2s -0.017462 -0.036721 -0.075173 0.004565 0.006086 -0.004126 5C 3s 0.075386 0.190771 -0.036808 0.012669 -0.001275 -0.115885 5C 4s 0.163905 0.169544 2.499993 -0.207327 -0.191207 0.622162 5C 5s 0.006931 0.155154 -0.119974 0.038397 -0.076524 -0.060879 5C 1pz 0.007932 0.024373 0.076539 -0.018335 0.004565 0.008025 5C 1px 0.007165 0.013395 0.051657 0.037663 -0.031910 0.010132 5C 1py -0.018648 -0.026842 -0.129202 0.016542 0.002438 -0.011170 5C 2pz 0.178200 0.356112 0.363561 0.115359 -0.130729 -0.140567 5C 2px 0.159976 0.214448 0.214657 -0.415597 0.207996 -0.019189 5C 2py -0.248773 -0.711992 -0.569651 -0.055590 0.130471 0.018687 5C 3pz 0.002349 -0.011548 -0.484661 -0.029357 0.045140 -0.068025 5C 3px -0.000090 -0.004668 -0.273643 0.032965 0.024924 -0.049104 5C 3py 0.012710 0.014286 0.782523 0.032984 -0.085526 0.129897 5C 1dz2 -0.050197 -0.112988 -0.213173 0.034485 0.033470 -0.049088 5C 1dxz -0.016633 -0.098779 -0.232699 -0.019110 -0.007690 -0.033518 5C 1dyz -0.032771 -0.043928 -0.129881 -0.000830 0.016660 0.004334 5C 1dx2y2 0.078068 0.126122 0.342699 -0.034708 -0.021283 0.013021 5C 1dxy 0.034457 0.043897 0.097038 -0.004000 -0.049189 -0.008851 5C 2dz2 -0.047619 0.030811 -0.191737 0.067218 0.003797 -0.002036 5C 2dxz -0.072863 -0.101685 -0.127063 -0.058821 0.042296 0.025463 5C 2dyz 0.049962 0.047067 -0.232359 -0.033486 0.037415 -0.134738 5C 2dx2y2 0.062264 0.239214 0.148750 -0.086000 0.001686 0.017817 5C 2dxy 0.020643 0.126788 -0.005700 0.120606 -0.086519 -0.044934 5C 1f0 -0.064258 -0.045840 -0.052428 0.018382 0.077774 0.037178 5C 1f+1 -0.005944 -0.026824 -0.148116 -0.000756 -0.063984 0.033562 5C 1f-1 0.025481 0.015151 0.015742 -0.050362 -0.017040 0.021710 5C 1f+2 0.030576 -0.009896 0.061561 -0.031322 -0.018034 -0.030927 5C 1f-2 0.001897 0.057461 0.184723 0.069282 -0.012344 0.039415 5C 1f+3 -0.093137 -0.086605 -0.197698 0.065505 0.094701 -0.034061 5C 1f-3 0.019926 0.108894 0.225085 -0.028192 0.025218 0.102502 6C 1s 0.012184 0.024424 -0.051708 0.003213 0.004274 0.003566 6C 2s 0.017817 0.036288 -0.075082 0.004559 0.006117 0.003704 6C 3s -0.076527 -0.189509 -0.038181 0.011507 -0.001037 0.115509 6C 4s -0.168854 -0.162665 2.503164 -0.202110 -0.192811 -0.606485 6C 5s -0.007802 -0.155600 -0.121334 0.038338 -0.077264 0.058380 6C 1pz 0.008221 0.023944 -0.076466 0.018291 -0.004649 0.007462 6C 1px 0.007323 0.013214 -0.051893 -0.037735 0.032160 0.009867 6C 1py -0.019167 -0.026097 0.129181 -0.016450 -0.002369 -0.010306 6C 2pz 0.180214 0.353728 -0.361410 -0.113849 0.131237 -0.142190 6C 2px 0.161859 0.213389 -0.213599 0.412984 -0.208891 -0.016210 6C 2py -0.252360 -0.708403 0.566239 0.054250 -0.131958 0.020899 6C 3pz 0.001434 -0.010098 0.486304 0.030348 -0.045572 -0.069131 6C 3px -0.001609 -0.002906 0.273994 -0.033580 -0.025925 -0.040643 6C 3py 0.014625 0.012052 -0.785253 -0.034056 0.086527 0.128470 6C 1dz2 0.051191 0.111841 -0.213008 0.034080 0.033616 0.048045 6C 1dxz 0.017586 0.097620 -0.232633 -0.018758 -0.007285 0.031827 6C 1dyz 0.033299 0.043269 -0.129786 -0.000808 0.016680 -0.005240 6C 1dx2y2 -0.079538 -0.124384 0.342599 -0.034441 -0.021302 -0.011727 6C 1dxy -0.034954 -0.043183 0.096688 -0.003933 -0.049031 0.010241 6C 2dz2 0.048432 -0.031610 -0.191641 0.066589 0.003688 -0.000088 6C 2dxz 0.073194 0.101055 -0.126383 -0.058389 0.042519 -0.024165 6C 2dyz -0.050031 -0.047505 -0.233479 -0.034328 0.037711 0.134260 6C 2dx2y2 -0.063582 -0.238247 0.147604 -0.085997 0.001368 -0.014962 6C 2dxy -0.020539 -0.126549 -0.006835 0.119924 -0.086766 0.041437 6C 1f0 -0.064573 -0.045535 0.052259 -0.018176 -0.077590 0.037003 6C 1f+1 -0.006396 -0.026387 0.148195 0.000554 0.064031 0.033925 6C 1f-1 0.025598 0.015055 -0.015780 0.050013 0.016963 0.022077 6C 1f+2 0.030648 -0.010027 -0.061816 0.031096 0.017766 -0.030028 6C 1f-2 0.002429 0.056756 -0.184791 -0.069168 0.012792 0.037899 6C 1f+3 -0.094025 -0.085611 0.197688 -0.064719 -0.094569 -0.031936 6C 1f-3 0.020854 0.107864 -0.225009 0.027893 -0.024469 0.102315 7C 1s 0.025811 -0.055963 0.053875 -0.002643 -0.001183 0.003152 7C 2s 0.038176 -0.082645 0.078189 -0.003974 -0.001835 0.002861 7C 3s -0.181320 0.388034 0.030153 -0.006971 -0.004019 0.130478 7C 4s -0.272405 0.624521 -2.561492 0.157318 0.065688 -0.687010 7C 5s -0.122468 0.210846 0.124242 0.040888 -0.027197 0.069168 7C 1pz 0.033370 -0.080138 0.136159 0.002489 0.007090 0.019212 7C 1px 0.007149 -0.016859 0.019828 -0.031357 -0.042411 -0.000120 7C 1py 0.024773 -0.052679 0.089083 -0.009729 -0.011964 0.008396 7C 2pz 0.658134 -1.354518 0.602218 -0.121641 -0.118107 -0.208985 7C 2px 0.161066 -0.251417 0.139001 0.239026 0.411194 -0.055771 7C 2py 0.446961 -0.957314 0.426424 0.006372 0.090249 0.007105 7C 3pz -0.006207 0.031070 -0.781586 0.019694 0.009909 -0.104161 7C 3px 0.002972 -0.003683 -0.169733 -0.052195 -0.011009 -0.017911 7C 3py 0.004331 0.012186 -0.546009 -0.008870 0.002739 -0.078164 7C 1dz2 0.046280 -0.141882 0.142531 0.010330 0.000184 0.034510 7C 1dxz 0.107231 -0.218953 0.245823 -0.040991 -0.015100 0.038568 7C 1dyz -0.010273 0.060877 -0.047061 -0.013358 0.011920 -0.022722 7C 1dx2y2 -0.148721 0.345302 -0.383515 -0.001399 0.023464 -0.004587 7C 1dxy -0.099072 0.153306 -0.174864 0.031678 -0.038104 -0.015597 7C 2dz2 0.154456 -0.239455 0.025442 0.051309 0.070687 -0.105785 7C 2dxz 0.110925 -0.221724 0.112319 -0.107580 -0.100496 -0.057829 7C 2dyz 0.111838 -0.264629 -0.182530 0.003760 0.034763 -0.101084 7C 2dx2y2 -0.162665 0.349681 -0.242272 0.018270 -0.010006 -0.040125 7C 2dxy -0.024604 0.064913 -0.186695 -0.042112 -0.094998 -0.059239 7C 1f0 -0.007434 0.109203 -0.112261 -0.058509 0.028498 0.009843 7C 1f+1 -0.146037 0.193078 -0.239381 0.081118 -0.012738 -0.001665 7C 1f-1 -0.034043 0.010663 -0.089533 0.020981 -0.052873 -0.038197 7C 1f+2 0.058374 -0.181514 0.211261 0.003387 -0.048158 0.021837 7C 1f-2 0.030389 0.024665 -0.023833 -0.002299 0.083200 -0.062318 7C 1f+3 0.055698 -0.018609 0.012868 -0.081106 0.041023 0.061275 7C 1f-3 -0.071776 0.213836 -0.202597 -0.033161 -0.016895 -0.093161 8C 1s -0.000080 -0.000979 0.001993 -0.000119 -0.000033 -0.001226 8C 2s -0.001435 -0.004287 0.005134 -0.000138 -0.000449 -0.001054 8C 3s 0.052781 0.147220 0.050516 -0.014836 0.011425 -0.072075 8C 4s -0.266628 -0.731287 -0.361764 0.074138 -0.057247 0.385016 8C 5s 0.076772 0.388294 -0.812331 -0.104498 0.166985 0.125481 8C 1pz -0.004057 -0.028612 0.010516 -0.001720 -0.001265 -0.008671 8C 1px -0.002029 -0.010540 0.002650 0.002967 -0.002110 0.001664 8C 1py 0.014925 0.020060 -0.012242 0.001102 0.001181 -0.014063 8C 2pz 0.091141 0.361834 0.074579 0.013116 0.042068 -0.004026 8C 2px 0.047166 0.139657 0.119887 0.005184 0.032382 -0.080216 8C 2py -0.133035 -0.317286 -0.209291 0.042089 0.015846 0.242924 8C 3pz -0.007047 -0.057825 0.108848 0.000764 -0.020882 -0.044497 8C 3px -0.009718 -0.001583 0.057075 0.002564 -0.027191 -0.007566 8C 3py -0.000867 0.006108 -0.180472 -0.013557 0.019628 0.033226 8C 1dz2 0.000862 0.006371 0.002541 -0.001540 0.002431 0.005100 8C 1dxz 0.000620 0.005362 -0.015399 0.005948 0.000027 0.013065 8C 1dyz 0.000155 0.000087 0.026789 -0.001151 -0.007387 -0.017057 8C 1dx2y2 -0.002575 0.009834 0.025590 0.003311 -0.002007 0.001539 8C 1dxy 0.002175 0.006451 0.022073 -0.004144 0.007718 -0.006719 8C 2dz2 0.029620 -0.016042 0.013570 -0.003638 0.007329 -0.061505 8C 2dxz -0.012635 -0.069684 0.008426 0.015585 -0.006507 -0.001143 8C 2dyz 0.009290 0.087693 0.093599 -0.011139 -0.015592 -0.065072 8C 2dx2y2 0.066733 0.105770 0.001892 0.019868 0.022722 -0.030183 8C 2dxy 0.022870 0.097568 0.006877 -0.017565 0.007515 -0.019259 8C 1f0 -0.028281 -0.032366 0.011308 -0.017025 -0.023556 -0.001453 8C 1f+1 0.007269 -0.006102 0.020528 0.014273 0.011843 -0.011707 8C 1f-1 0.018862 0.000771 0.000433 0.006164 0.022569 -0.005711 8C 1f+2 0.000243 -0.018774 -0.004652 0.005550 0.015409 0.018824 8C 1f-2 -0.014445 -0.014125 -0.025247 0.001086 -0.024555 0.020858 8C 1f+3 -0.018381 -0.003519 0.022631 -0.026656 -0.016084 -0.015721 8C 1f-3 0.000729 0.008177 -0.024431 -0.012377 0.008078 0.005240 9C 1s -0.000679 0.001327 -0.002060 0.000123 0.000193 -0.000382 9C 2s -0.003867 0.008066 -0.005340 0.000394 0.000352 -0.000024 9C 3s 0.136081 -0.278576 -0.046250 -0.006788 -0.001071 -0.080061 9C 4s -0.684036 1.386921 0.339035 0.028028 -0.020037 0.431157 9C 5s 0.296009 -0.585178 0.815728 -0.075282 -0.049018 0.039465 9C 1pz -0.026351 0.060856 -0.014440 0.000584 -0.001603 0.002096 9C 1px -0.001192 0.007968 0.000603 0.000704 0.002852 -0.002223 9C 1py -0.021110 0.035270 -0.010972 0.000326 0.001063 0.016722 9C 2pz 0.326750 -0.761214 -0.186343 0.027967 0.017127 -0.213700 9C 2px 0.007388 -0.066503 -0.094432 0.017705 0.000091 -0.024612 9C 2py 0.311846 -0.460114 -0.113148 -0.039742 0.051905 -0.253946 9C 3pz -0.009745 0.052029 -0.185999 -0.007397 0.002811 -0.036452 9C 3px 0.017582 -0.037040 -0.018470 0.013859 -0.003303 -0.005267 9C 3py -0.033746 0.022167 -0.116802 0.015737 -0.005354 -0.013738 9C 1dz2 -0.004303 -0.001082 0.023012 -0.001929 -0.006804 0.021293 9C 1dxz -0.005364 -0.005586 0.014102 0.007459 0.002889 0.012182 9C 1dyz -0.002896 0.009586 0.033834 -0.002825 -0.002627 0.010353 9C 1dx2y2 -0.006352 0.001881 -0.016851 0.004254 -0.001022 0.001950 9C 1dxy 0.000640 0.008001 0.004134 -0.000242 0.006685 -0.002616 9C 2dz2 -0.092886 0.170711 0.034375 0.021377 -0.033425 0.026288 9C 2dxz -0.085850 0.154354 -0.048365 0.018228 0.009738 0.009228 9C 2dyz -0.096080 0.201224 0.076455 -0.017111 -0.007333 0.117503 9C 2dx2y2 0.053359 -0.105406 0.015802 0.003210 -0.010124 -0.041387 9C 2dxy -0.004352 0.055261 0.009985 -0.011105 0.020538 -0.005988 9C 1f0 0.017097 0.008179 -0.014287 -0.017960 0.027878 -0.006109 9C 1f+1 -0.025118 0.012041 -0.028851 0.014904 -0.021131 -0.009674 9C 1f-1 0.016352 -0.062269 -0.004316 0.014388 -0.005501 -0.017489 9C 1f+2 -0.009743 0.001002 0.027543 0.008025 -0.008660 0.015974 9C 1f-2 0.029170 -0.025367 -0.003209 -0.026694 -0.004509 -0.000828 9C 1f+3 0.027583 0.002474 0.006376 -0.027220 0.016816 -0.004080 9C 1f-3 -0.010952 0.030554 -0.024551 0.000875 0.010134 -0.001693 10H 1s 0.011481 -0.027504 -0.028401 -0.001719 0.005445 0.002666 10H 2s 0.054919 -0.084549 -0.061711 0.011580 0.005764 -0.004083 10H 3s 0.023017 -0.040540 -0.018364 0.018308 0.008819 -0.012311 10H 1pz -0.003689 0.017815 0.004348 0.003046 -0.000815 -0.003457 10H 1px -0.015162 0.032021 0.025261 0.001407 -0.004338 -0.000395 10H 1py 0.000556 0.011425 0.002484 0.004925 -0.003430 0.000117 11H 1s -0.023079 0.022257 0.012111 -0.013042 0.000372 0.004986 11H 2s -0.087238 0.048847 0.043332 -0.051797 0.027899 0.023788 11H 3s 0.092349 -0.126460 -0.060437 0.028940 0.005038 -0.017291 11H 1pz -0.018497 0.007314 -0.004249 -0.008136 0.004576 0.020299 11H 1px -0.027096 0.022914 0.013504 -0.014998 0.005126 0.004167 11H 1py 0.016405 -0.004484 -0.010672 0.016226 -0.006917 0.005512 12H 1s 0.006960 0.016209 -0.001122 0.006931 -0.014790 -0.007534 12H 2s 0.039606 0.037374 0.011308 0.038224 -0.040168 -0.038242 12H 3s 0.034983 -0.121955 -0.053959 -0.005155 0.022652 0.002527 12H 1pz -0.016961 0.006821 -0.001722 -0.014095 0.014700 -0.002131 12H 1px -0.003188 0.024667 0.011270 0.003940 -0.007963 -0.005715 12H 1py 0.011688 0.018907 -0.003324 0.011121 -0.013464 -0.014942 13H 1s 0.001768 0.011409 0.024620 0.002128 0.001717 0.016225 13H 2s 0.013492 0.069366 0.058306 0.000364 -0.006655 0.062199 13H 3s 0.009438 0.030774 0.020622 0.014797 -0.023144 -0.020932 13H 1pz 0.002157 0.012075 0.011875 -0.002440 -0.002743 0.017020 13H 1px 0.000803 -0.014086 -0.018208 -0.004741 -0.004979 -0.013128 13H 1py 0.002254 0.003916 0.008229 0.002608 0.003280 -0.008676 14H 1s 0.008078 0.005484 0.005090 -0.014476 -0.007269 0.012087 14H 2s 0.012019 0.051048 -0.003196 -0.032216 -0.030688 0.048428 14H 3s 0.002335 0.045437 0.052244 0.026168 0.002639 -0.004344 14H 1pz -0.000523 0.014443 0.008669 -0.005630 -0.003337 0.020821 14H 1px 0.002718 0.007746 -0.006091 -0.013763 -0.009353 0.015006 14H 1py 0.017776 0.008976 0.004481 -0.011670 -0.013697 -0.005175 15H 1s -0.008859 -0.025894 -0.014401 0.001620 0.010312 -0.010892 15H 2s -0.046778 -0.076170 -0.041647 0.030814 0.046262 -0.037395 15H 3s 0.025416 0.119943 0.061389 0.005272 -0.027673 0.032640 15H 1pz 0.016907 0.016905 0.018085 -0.008649 -0.016191 0.005276 15H 1px -0.002597 -0.011387 -0.003422 0.000429 0.002228 -0.004342 15H 1py 0.007852 0.027962 -0.002624 -0.004768 -0.011586 0.010405 16H 1s -0.012006 0.045569 -0.012990 -0.010873 0.015859 -0.011361 16H 2s -0.006191 0.059978 -0.020235 -0.022717 0.097665 0.084396 16H 3s -0.001130 -0.005284 0.009711 -0.011708 -0.018997 0.002261 16H 1pz -0.010175 0.060560 -0.015496 -0.027213 0.047140 0.046984 16H 1px -0.008458 0.019740 0.012206 0.028992 0.027169 -0.086250 16H 1py -0.005348 0.013047 0.002320 0.020682 0.001840 -0.085016 17H 1s 0.005283 0.028981 0.007823 0.002606 0.018335 0.025969 17H 2s -0.010660 0.056843 0.015848 -0.018501 0.092167 -0.021254 17H 3s -0.001661 -0.003809 -0.007553 0.019266 -0.011871 -0.001578 17H 1pz -0.001547 -0.042677 -0.002606 0.017577 -0.049518 -0.067749 17H 1px 0.006801 -0.029262 -0.014888 -0.033606 -0.022766 0.095683 17H 1py 0.003646 0.008839 -0.005583 -0.019894 0.002154 0.066834 18H 1s -0.005649 -0.028362 0.007119 0.002035 0.018618 -0.025156 18H 2s 0.011756 -0.057120 0.015215 -0.019787 0.091713 0.017254 18H 3s 0.001803 0.003725 -0.007038 0.019913 -0.011321 0.002198 18H 1pz -0.001550 -0.042606 0.002616 -0.018468 0.049324 -0.068719 18H 1px 0.007295 -0.029498 0.013846 0.032713 0.023743 0.093027 18H 1py 0.003950 0.007256 0.006299 0.019615 -0.000383 0.064585 19H 1s 0.011780 -0.045965 -0.013541 -0.011407 0.015941 0.010982 19H 2s 0.007383 -0.060162 -0.020483 -0.023697 0.097525 -0.086017 19H 3s 0.001146 0.005077 0.010098 -0.010915 -0.019350 -0.002221 19H 1pz -0.010404 0.060551 0.015873 0.028047 -0.046802 0.049175 19H 1px -0.008164 0.019281 -0.012632 -0.028067 -0.027769 -0.083824 19H 1py -0.005560 0.014735 -0.001294 -0.019725 -0.004145 -0.083037 20H 1s 0.009071 0.025692 -0.014222 0.001542 0.010615 0.010775 20H 2s 0.047558 0.075902 -0.040946 0.031175 0.047391 0.036366 20H 3s -0.026207 -0.119273 0.061281 0.005409 -0.028452 -0.032444 20H 1pz 0.017216 0.016812 -0.017882 0.008728 0.016591 0.005064 20H 1px -0.002818 -0.011656 0.003632 -0.000528 -0.002447 -0.004417 20H 1py 0.007968 0.027851 0.002853 0.004832 0.011844 0.010228 21H 1s -0.008040 -0.005256 0.004717 -0.014403 -0.007268 -0.011869 21H 2s -0.012604 -0.050360 -0.004100 -0.032219 -0.031464 -0.047710 21H 3s -0.002697 -0.045199 0.052617 0.026350 0.002428 0.003644 21H 1pz -0.000305 0.014438 -0.008602 0.005765 0.003658 0.020690 21H 1px 0.002767 0.007505 0.006371 0.013714 0.009462 0.014677 21H 1py 0.017801 0.008759 -0.004130 0.011639 0.013675 -0.005123 22H 1s -0.002043 -0.011367 0.024794 0.001990 0.001495 -0.015677 22H 2s -0.014185 -0.068841 0.058792 0.000314 -0.007177 -0.061896 22H 3s -0.009344 -0.030478 0.020390 0.015181 -0.023198 0.020698 22H 1pz 0.002292 0.011750 -0.011758 0.002424 0.002860 0.016648 22H 1px 0.000469 -0.014173 0.018520 0.004545 0.004711 -0.012982 22H 1py 0.002349 0.003888 -0.008055 -0.002487 -0.003168 -0.008850 23H 1s -0.006550 -0.017161 -0.000538 0.006707 -0.014846 0.007711 23H 2s -0.039440 -0.040138 0.012626 0.039050 -0.041165 0.038402 23H 3s -0.035729 0.124410 -0.054920 -0.004532 0.023456 -0.003118 23H 1pz -0.016567 0.006036 0.002358 0.013995 -0.014766 -0.001808 23H 1px -0.003422 0.024814 -0.011438 -0.003831 0.007817 -0.005643 23H 1py 0.011707 0.019927 0.003009 -0.011369 0.013893 -0.014883 24H 1s 0.023028 -0.021723 0.011866 -0.013274 0.000468 -0.005118 24H 2s 0.086661 -0.046089 0.043035 -0.052045 0.028326 -0.024286 24H 3s -0.092246 0.126290 -0.061198 0.029515 0.004981 0.016051 24H 1pz -0.018211 0.006826 0.004208 0.007997 -0.004485 0.020467 24H 1px -0.027501 0.022779 -0.013777 0.015437 -0.005309 0.004232 24H 1py 0.015979 -0.003250 0.010073 -0.016345 0.007103 0.005256 25H 1s -0.011719 0.027807 -0.028758 -0.001611 0.005227 -0.003405 25H 2s -0.054818 0.086425 -0.062960 0.011294 0.005790 0.001325 25H 3s -0.022689 0.040640 -0.018119 0.018424 0.009255 0.012610 25H 1pz -0.003845 0.017115 -0.004000 -0.002698 0.000594 -0.002895 25H 1px -0.015417 0.032371 -0.025600 -0.001176 0.004041 -0.001272 25H 1py -0.000046 0.012067 -0.003086 -0.004698 0.003379 0.000258 26O 1s -0.002297 0.004704 0.003819 -0.001463 -0.001318 0.000091 26O 2s -0.010164 0.021067 0.018851 -0.003632 -0.002345 -0.000409 26O 3s 0.177554 -0.370264 -0.366592 0.024382 -0.007197 0.025642 26O 4s -0.525640 1.085920 1.131875 0.027547 0.160540 -0.093040 26O 5s -0.130779 0.205410 0.044148 -0.035560 0.009255 -0.147790 26O 1pz 0.006596 0.003028 0.030588 0.018146 0.021447 -0.004342 26O 1px -0.032170 0.075814 0.101771 -0.007099 -0.004293 -0.011157 26O 1py -0.025311 0.026357 0.056961 0.000400 0.016201 0.007678 26O 2pz 0.017919 -0.055690 -0.132740 -0.040849 -0.066813 0.021120 26O 2px 0.322809 -0.679162 -0.808297 -0.018448 -0.090424 0.110982 26O 2py 0.158253 -0.284049 -0.384537 -0.027438 -0.074140 -0.008455 26O 3pz 0.014657 -0.001937 -0.047571 0.114106 -0.019799 -0.022862 26O 3px 0.106328 -0.179787 -0.133119 -0.003341 -0.166500 -0.024938 26O 3py -0.006892 -0.057564 -0.071747 -0.081615 0.042105 -0.058616 26O 1dz2 -0.298410 -0.142896 -0.039882 -0.381147 0.175684 0.122376 26O 1dxz -0.083734 0.030677 0.066474 -0.051430 0.028634 0.043196 26O 1dyz 0.102574 0.275645 0.074729 0.169214 -0.207567 -0.118171 26O 1dx2y2 -0.157213 0.033982 0.068710 -0.102064 0.139303 0.036191 26O 1dxy -0.201558 0.099245 0.127043 -0.134617 0.129578 0.036119 26O 2dz2 0.256722 -0.099605 -0.188333 0.223188 -0.128705 -0.066280 26O 2dxz 0.009270 0.034709 0.009508 0.002098 -0.008446 -0.054762 26O 2dyz -0.068571 -0.149084 -0.045338 -0.114805 0.124137 0.067312 26O 2dx2y2 -0.024089 0.190750 0.202716 0.045760 -0.033478 -0.078185 26O 2dxy 0.024838 0.170032 0.170745 0.110307 -0.080263 -0.019042 26O 1f0 -0.060395 0.073999 0.087433 -0.046598 -0.002617 -0.015468 26O 1f+1 -0.129169 0.185665 0.190303 -0.035693 0.017641 0.033867 26O 1f-1 -0.060721 0.126876 0.091293 -0.002265 -0.019292 0.037347 26O 1f+2 0.059583 -0.142287 -0.108931 0.033022 0.011071 0.055212 26O 1f-2 0.030287 0.004821 -0.050215 0.052141 -0.006190 -0.013081 26O 1f+3 -0.056517 0.056610 0.045402 -0.041496 0.055471 -0.080802 26O 1f-3 -0.068290 0.260852 0.248574 0.027990 -0.050958 -0.011082 27O 1s -0.001092 -0.002154 -0.003981 -0.001366 0.001575 0.000642 27O 2s -0.004907 -0.009457 -0.018996 -0.001898 0.004205 0.000982 27O 3s 0.086909 0.163292 0.360333 -0.025668 -0.036064 0.014768 27O 4s -0.258678 -0.479846 -1.092915 0.225070 0.015199 -0.075805 27O 5s -0.062891 -0.068275 0.006614 0.066014 0.032042 -0.167943 27O 1pz -0.014226 0.005502 -0.004498 0.020890 -0.004966 -0.011515 27O 1px -0.021377 -0.034035 -0.109030 0.012899 0.008155 -0.016693 27O 1py -0.007830 0.006355 0.040596 -0.025103 0.017566 0.001885 27O 2pz 0.020166 -0.028985 -0.020115 -0.038130 0.019065 0.040343 27O 2px 0.178137 0.311143 0.830798 -0.190876 0.002913 0.144292 27O 2py -0.015609 -0.069937 -0.216650 0.103279 -0.037159 -0.014988 27O 3pz -0.084279 0.034672 0.039211 0.122584 0.084117 -0.013684 27O 3px 0.031868 0.086036 0.159999 -0.105023 0.059837 -0.039319 27O 3py -0.048065 0.021844 -0.094910 -0.000091 0.100768 0.074652 27O 1dz2 0.277942 0.257134 0.062975 -0.281696 -0.367481 0.148250 27O 1dxz 0.018271 -0.019103 -0.013922 -0.017311 0.018314 0.013654 27O 1dyz -0.069630 -0.011342 0.065578 0.161827 0.106547 -0.050904 27O 1dx2y2 0.122845 0.069266 -0.096612 -0.057917 -0.248986 0.059205 27O 1dxy -0.009615 0.014783 0.111056 0.061225 0.064442 -0.021516 27O 2dz2 -0.119036 -0.075800 0.149798 0.139366 0.225834 -0.067869 27O 2dxz 0.022312 0.022409 0.053630 -0.029790 -0.036531 -0.032600 27O 2dyz 0.029072 -0.000425 -0.067869 -0.085255 -0.059352 0.038736 27O 2dx2y2 -0.126439 -0.168571 -0.264056 0.093316 0.135823 -0.099215 27O 2dxy 0.052636 0.041936 0.050880 -0.063794 -0.077591 0.001438 27O 1f0 0.036361 0.003067 -0.003965 -0.030639 -0.024713 -0.041833 27O 1f+1 -0.011939 -0.043776 -0.195016 -0.027464 -0.028692 0.018152 27O 1f-1 0.006531 0.015313 0.046861 0.001282 -0.017286 -0.018839 27O 1f+2 -0.028770 0.017667 0.013324 0.050007 0.028140 0.026321 27O 1f-2 0.032273 0.027322 0.053778 -0.008335 -0.015637 -0.034458 27O 1f+3 -0.039655 -0.130607 -0.195873 0.016643 0.003717 -0.084662 27O 1f-3 0.086727 0.102351 0.208894 -0.017685 -0.095572 -0.013718 28O 1s -0.002042 0.004579 0.004333 0.001032 0.001411 0.000868 28O 2s -0.009211 0.020623 0.020189 0.001589 0.002336 0.001933 28O 3s 0.163795 -0.365624 -0.376057 0.015280 0.013675 -0.001311 28O 4s -0.486808 1.082427 1.125696 -0.154475 -0.179756 -0.019288 28O 5s -0.089444 0.195289 -0.015989 -0.046994 -0.007658 -0.143047 28O 1pz -0.029931 0.045620 0.085996 -0.024076 -0.023259 -0.016175 28O 1px 0.022396 -0.065604 -0.079305 -0.005912 -0.004033 0.001692 28O 1py 0.011865 0.010824 0.022276 -0.007930 -0.021388 0.002521 28O 2pz 0.224493 -0.462061 -0.582028 0.128920 0.147060 0.095917 28O 2px -0.246672 0.577080 0.645799 -0.077695 -0.091099 -0.054864 28O 2py 0.004454 -0.074171 -0.109487 0.042115 0.056438 -0.014135 28O 3pz 0.004720 -0.109700 -0.146256 -0.059401 0.058567 -0.045660 28O 3px -0.098722 0.154529 0.092921 -0.128969 -0.072327 0.018115 28O 3py 0.053711 0.050184 -0.062916 0.064719 -0.109782 -0.044080 28O 1dz2 0.142453 0.153766 0.075368 0.250834 -0.143406 0.124971 28O 1dxz 0.210117 -0.100833 -0.119283 0.255636 -0.086312 0.110717 28O 1dyz -0.168375 0.172083 0.092283 -0.054782 0.120147 -0.056659 28O 1dx2y2 0.176354 0.119666 0.054604 0.261109 -0.255864 0.124739 28O 1dxy -0.086465 0.024467 -0.012015 -0.081941 0.097990 -0.055987 28O 2dz2 -0.076649 -0.048182 -0.022768 -0.124239 0.080540 -0.101405 28O 2dxz 0.012450 -0.249937 -0.267619 -0.119819 0.106889 -0.030095 28O 2dyz 0.072881 -0.086406 -0.039379 0.017886 -0.050099 0.056373 28O 2dx2y2 -0.187706 0.112926 0.176618 -0.199200 0.120863 -0.101777 28O 2dxy 0.090417 -0.050179 -0.044595 0.081258 -0.082235 0.014341 28O 1f0 -0.039786 0.095681 0.096316 0.000508 -0.019369 0.058544 28O 1f+1 -0.055018 0.226733 0.220710 0.054477 -0.009203 -0.030488 28O 1f-1 -0.028268 0.073479 0.001398 0.000164 -0.004181 -0.020136 28O 1f+2 0.119742 -0.255111 -0.240964 0.007390 0.008828 0.022121 28O 1f-2 -0.062686 0.049220 0.082989 -0.031440 0.053382 0.048706 28O 1f+3 0.052902 -0.071764 -0.075814 0.047112 -0.006909 0.050309 28O 1f-3 -0.087575 0.084798 0.096778 -0.047513 0.052706 0.008370 29O 1s 0.000141 -0.001513 0.000050 0.000167 -0.000453 -0.000275 29O 2s 0.000492 -0.005195 0.000195 0.000616 -0.001876 -0.001058 29O 3s -0.007214 0.073845 -0.003255 -0.009923 0.034574 0.017357 29O 4s 0.014778 -0.169036 0.007741 0.022779 -0.070724 -0.043171 29O 5s 0.014765 -0.016222 0.000621 0.016931 -0.145877 -0.016034 29O 1pz 0.004703 -0.008921 0.004103 0.007426 -0.001787 0.008009 29O 1px 0.001574 0.005055 0.000720 0.000285 0.008508 0.007310 29O 1py 0.001335 -0.016542 0.000393 -0.000135 -0.003010 -0.006698 29O 2pz -0.017311 0.042227 -0.022884 -0.032319 0.016776 -0.021984 29O 2px -0.002220 -0.039738 -0.004225 0.001271 -0.050362 -0.031293 29O 2py -0.007361 0.080348 -0.001977 -0.005566 0.039463 0.033082 29O 3pz 0.000510 0.005825 -0.011927 0.028365 0.017318 0.125478 29O 3px -0.000265 -0.006170 -0.007724 0.013242 0.015605 0.027105 29O 3py -0.006336 0.025808 0.003017 -0.025804 0.098981 -0.003857 29O 1dz2 -0.002947 -0.063648 0.029192 0.073965 -0.048554 -0.303341 29O 1dxz 0.026766 -0.077398 -0.054624 -0.099394 -0.063872 0.412287 29O 1dyz 0.017522 0.005383 -0.056304 -0.109612 0.013472 0.445974 29O 1dx2y2 0.008864 -0.026351 -0.032718 -0.046237 -0.022963 0.183152 29O 1dxy 0.004974 -0.035991 -0.022261 -0.013003 -0.056225 0.001562 29O 2dz2 0.006671 0.018442 -0.011719 -0.045585 0.021405 0.211573 29O 2dxz -0.018108 0.038699 0.032159 0.068340 0.035765 -0.288333 29O 2dyz -0.006025 -0.013875 0.046622 0.083483 -0.013851 -0.306630 29O 2dx2y2 -0.006818 0.022679 0.019614 0.030863 0.019675 -0.125783 29O 2dxy -0.003528 0.042552 0.017269 0.007501 0.058240 0.005585 29O 1f0 -0.003733 0.027948 0.000352 0.010700 0.017421 -0.038151 29O 1f+1 0.007471 -0.015689 -0.005641 -0.018428 -0.007462 0.074714 29O 1f-1 -0.008503 0.032379 -0.010814 -0.002889 0.015081 -0.013853 29O 1f+2 -0.003173 -0.012063 0.015955 0.039369 -0.009806 -0.117166 29O 1f-2 0.008168 0.002529 0.006393 -0.014279 0.002392 0.050187 29O 1f+3 0.004287 -0.026829 -0.009502 -0.010508 -0.029469 0.035397 29O 1f-3 -0.004304 -0.009127 -0.001508 0.011719 -0.003601 -0.045808 30O 1s -0.000897 -0.002147 -0.003911 0.001611 -0.000727 0.000148 30O 2s -0.004071 -0.009584 -0.018740 0.003575 -0.000372 -0.000265 30O 3s 0.072274 0.167798 0.357211 -0.013101 -0.032620 0.024507 30O 4s -0.211864 -0.500470 -1.087744 -0.100763 0.197841 -0.094767 30O 5s -0.008630 -0.108481 -0.010970 0.017155 -0.003279 -0.114795 30O 1pz 0.003852 -0.007742 -0.063326 -0.012486 0.008886 -0.011584 30O 1px 0.013348 0.029263 0.065564 -0.018039 0.004708 0.004968 30O 1py 0.013386 0.025074 0.072992 0.014473 -0.024103 0.000985 30O 2pz 0.051707 0.143793 0.442245 0.065632 -0.090397 0.082418 30O 2px -0.105757 -0.244951 -0.568103 -0.016025 0.072979 -0.069566 30O 2py -0.077321 -0.192174 -0.481792 -0.085194 0.110963 -0.034881 30O 3pz 0.035381 0.099789 0.078065 -0.057103 -0.157439 -0.037776 30O 3px -0.015253 -0.067094 -0.074833 -0.114811 0.076543 0.026769 30O 3py -0.001815 0.031617 -0.089827 -0.028412 -0.020585 0.082652 30O 1dz2 -0.187864 0.019564 0.034023 0.139627 0.205676 0.125970 30O 1dxz -0.229623 0.051855 0.092188 0.233202 0.221715 0.124292 30O 1dyz 0.204748 0.105304 0.128491 -0.145350 -0.145593 -0.038502 30O 1dx2y2 -0.194044 0.014487 0.043247 0.108940 0.245100 0.083942 30O 1dxy -0.116095 0.000413 -0.058796 0.023108 0.175142 0.072949 30O 2dz2 0.102681 -0.007241 0.031458 -0.057123 -0.105399 -0.100739 30O 2dxz 0.187409 0.073989 0.182352 -0.140032 -0.198399 -0.040713 30O 2dyz -0.088591 0.010713 0.068937 0.084986 0.067137 0.051704 30O 2dx2y2 0.090146 -0.047026 -0.118638 -0.079191 -0.114412 -0.068083 30O 2dxy 0.031931 -0.095872 -0.218485 -0.043480 -0.089418 -0.054708 30O 1f0 -0.042683 -0.019644 -0.117966 0.017785 0.028021 0.037473 30O 1f+1 -0.057237 -0.059481 -0.070130 0.056619 0.061089 -0.037483 30O 1f-1 0.009737 -0.027775 -0.022508 0.020284 0.016821 -0.058040 30O 1f+2 0.055779 0.041451 0.045797 -0.013640 -0.054311 -0.004274 30O 1f-2 0.051812 0.122950 0.243293 -0.035339 -0.008689 0.015430 30O 1f+3 -0.026288 -0.042319 -0.126475 0.026640 -0.028284 0.035179 30O 1f-3 -0.002711 0.089375 0.168303 0.027460 0.027033 0.032075 31O 1s 0.000923 0.002122 -0.003898 0.001609 -0.000711 -0.000171 31O 2s 0.004177 0.009471 -0.018694 0.003573 -0.000318 0.000131 31O 3s -0.073971 -0.165841 0.356622 -0.013062 -0.033394 -0.022010 31O 4s 0.216411 0.494905 -1.086126 -0.100786 0.200091 0.087459 31O 5s 0.008249 0.108511 -0.010776 0.017729 -0.002683 0.120047 31O 1pz 0.003542 -0.007370 0.063297 0.012496 -0.008773 -0.010790 31O 1px 0.013649 0.028850 -0.065467 0.018095 -0.004724 0.004589 31O 1py 0.013554 0.024722 -0.072996 -0.014262 0.023940 0.000076 31O 2pz 0.053488 0.141598 -0.442069 -0.065823 0.090526 0.079428 31O 2px -0.107882 -0.242029 0.567591 0.015971 -0.073525 -0.066727 31O 2py -0.078617 -0.189956 0.481556 0.084518 -0.110886 -0.031859 31O 3pz 0.035708 0.099347 -0.076752 0.057873 0.157925 -0.043202 31O 3px -0.015120 -0.067121 0.074040 0.113883 -0.076911 0.027552 31O 3py -0.002324 0.031909 0.088276 0.027144 0.020161 0.090567 31O 1dz2 0.187698 -0.019446 0.033856 0.138780 0.204563 -0.123506 31O 1dxz 0.229534 -0.051157 0.091964 0.232225 0.220348 -0.122888 31O 1dyz -0.205509 -0.104861 0.128541 -0.144860 -0.145568 0.038059 31O 1dx2y2 0.194127 -0.014156 0.042975 0.108627 0.244203 -0.087018 31O 1dxy 0.116364 -0.000728 -0.058839 0.022325 0.174537 -0.071865 31O 2dz2 -0.102648 0.007386 0.031458 -0.056867 -0.104667 0.099579 31O 2dxz -0.188332 -0.073187 0.182333 -0.139231 -0.197743 0.041529 31O 2dyz 0.088393 -0.010211 0.068780 0.084726 0.066853 -0.050741 31O 2dx2y2 -0.089878 0.046402 -0.118452 -0.079074 -0.113845 0.068764 31O 2dxy -0.031234 0.094838 -0.218185 -0.042767 -0.088883 0.052602 31O 1f0 -0.043135 -0.018966 0.117851 -0.017848 -0.027679 0.038541 31O 1f+1 -0.057779 -0.059033 0.070073 -0.056128 -0.061108 -0.037012 31O 1f-1 0.009368 -0.027487 0.022449 -0.019938 -0.017005 -0.057403 31O 1f+2 0.056044 0.041208 -0.045759 0.013268 0.054215 -0.004379 31O 1f-2 0.052987 0.121491 -0.242884 0.035393 0.008708 0.013904 31O 1f+3 -0.026791 -0.041659 0.126216 -0.027026 0.028400 0.035327 31O 1f-3 -0.002077 0.088468 -0.168021 -0.027282 -0.026720 0.030981 32O 1s -0.000137 0.001507 0.000071 0.000180 -0.000463 0.000254 32O 2s -0.000480 0.005179 0.000268 0.000668 -0.001911 0.001021 32O 3s 0.007142 -0.073686 -0.004290 -0.010730 0.035019 -0.017373 32O 4s -0.014634 0.168709 0.010072 0.024501 -0.071995 0.043434 32O 5s -0.016426 0.016847 0.000603 0.018307 -0.143883 0.020721 32O 1pz 0.004679 -0.008739 -0.004110 -0.007478 0.001585 0.007898 32O 1px 0.001669 0.005032 -0.000601 0.000003 -0.008554 0.007371 32O 1py 0.001393 -0.016617 -0.000643 -0.000071 0.003028 -0.006376 32O 2pz -0.017239 0.040950 0.023000 0.032455 -0.015283 -0.021398 32O 2px -0.002269 -0.039981 0.003472 -0.002579 0.050881 -0.031954 32O 2py -0.007825 0.080802 0.003365 0.006860 -0.039659 0.032773 32O 3pz 0.000431 0.005448 0.011347 -0.029219 -0.016047 0.122491 32O 3px -0.000157 -0.006365 0.008433 -0.012831 -0.014737 0.025894 32O 3py -0.007242 0.026175 -0.002652 0.026532 -0.098720 0.001957 32O 1dz2 0.003204 0.064152 0.029880 0.076581 -0.047209 0.313225 32O 1dxz -0.026515 0.076202 -0.053511 -0.096266 -0.066150 -0.402428 32O 1dyz -0.018269 -0.000974 -0.053991 -0.106582 0.006725 -0.432961 32O 1dx2y2 -0.009749 0.027235 -0.030820 -0.041984 -0.023204 -0.166392 32O 1dxy -0.004645 0.037040 -0.026941 -0.014499 -0.058190 -0.010316 32O 2dz2 -0.006710 -0.018900 -0.012078 -0.047446 0.020457 -0.217759 32O 2dxz 0.018009 -0.037903 0.031627 0.066326 0.036911 0.281803 32O 2dyz 0.006290 0.012011 0.045314 0.081618 -0.009468 0.297831 32O 2dx2y2 0.007526 -0.023265 0.018083 0.027729 0.019727 0.114147 32O 2dxy 0.003492 -0.043064 0.019770 0.008089 0.059601 0.000150 32O 1f0 -0.002961 0.025841 -0.000072 -0.009928 -0.017191 -0.035659 32O 1f+1 0.007111 -0.016508 0.005110 0.017157 0.008652 0.071197 32O 1f-1 -0.008756 0.033749 0.010875 0.001629 -0.015917 -0.018672 32O 1f+2 -0.003388 -0.013020 -0.016195 -0.039830 0.009174 -0.117147 32O 1f-2 0.008375 0.001992 -0.006158 0.014071 -0.002350 0.049170 32O 1f+3 0.004807 -0.026632 0.009288 0.010233 0.029786 0.035819 32O 1f-3 -0.004324 -0.008921 0.002144 -0.010228 0.003751 -0.040459 33O 1s 0.002068 -0.004579 0.004344 0.001024 0.001411 -0.000852 33O 2s 0.009311 -0.020631 0.020242 0.001555 0.002345 -0.001850 33O 3s -0.165343 0.365838 -0.377096 0.015810 0.013330 -0.000258 33O 4s 0.491504 -1.083126 1.128851 -0.156273 -0.178402 0.023740 33O 5s 0.090957 -0.194769 -0.014695 -0.047430 -0.004875 0.141096 33O 1pz -0.030114 0.045522 -0.086027 0.024360 0.023068 -0.016874 33O 1px 0.022811 -0.065606 0.079559 0.005725 0.004188 0.002240 33O 1py 0.011785 0.010996 -0.022492 0.007841 0.021348 0.002284 33O 2pz 0.226132 -0.461583 0.582734 -0.130287 -0.145621 0.099413 33O 2px -0.249526 0.577616 -0.648075 0.078846 0.089892 -0.057878 33O 2py 0.005163 -0.075234 0.110820 -0.041983 -0.056309 -0.013418 33O 3pz 0.004002 -0.108653 0.145573 0.060564 -0.058653 -0.044788 33O 3px -0.098875 0.154220 -0.093638 0.128564 0.071468 0.020168 33O 3py 0.053127 0.050779 0.063180 -0.063667 0.109173 -0.047596 33O 1dz2 -0.142562 -0.153819 0.076053 0.251878 -0.144177 -0.121791 33O 1dxz -0.210048 0.100863 -0.119092 0.255439 -0.086607 -0.107572 33O 1dyz 0.168650 -0.172348 0.092948 -0.054612 0.120063 0.055449 33O 1dx2y2 -0.175687 -0.120087 0.055724 0.260910 -0.255965 -0.120372 33O 1dxy 0.086399 -0.023641 -0.012280 -0.081995 0.098476 0.054305 33O 2dz2 0.076631 0.048728 -0.023785 -0.125117 0.081153 0.099973 33O 2dxz -0.013320 0.249951 -0.268420 -0.119380 0.106587 0.026311 33O 2dyz -0.072755 0.086096 -0.039139 0.017993 -0.050180 -0.055913 33O 2dx2y2 0.187901 -0.113063 0.176744 -0.199152 0.121173 0.099860 33O 2dxy -0.090838 0.050363 -0.045333 0.081097 -0.082470 -0.012903 33O 1f0 -0.040081 0.096303 -0.097540 -0.001157 0.019503 0.058172 33O 1f+1 -0.055307 0.226116 -0.220257 -0.053838 0.009096 -0.033133 33O 1f-1 -0.028406 0.073275 -0.001243 0.000122 0.004034 -0.019839 33O 1f+2 0.120211 -0.255545 0.241642 -0.007421 -0.008741 0.023628 33O 1f-2 -0.063220 0.050087 -0.084192 0.030799 -0.053126 0.049125 33O 1f+3 0.052797 -0.071954 0.075841 -0.047128 0.007010 0.050329 33O 1f-3 -0.088256 0.085510 -0.097828 0.047341 -0.052882 0.009000 34O 1s 0.001109 0.002131 -0.003969 -0.001362 0.001567 -0.000656 34O 2s 0.004993 0.009353 -0.018959 -0.001897 0.004186 -0.001032 34O 3s -0.088500 -0.161465 0.359913 -0.025387 -0.035939 -0.013719 34O 4s 0.263528 0.474530 -1.091756 0.223909 0.015133 0.072261 34O 5s 0.063621 0.068902 0.005967 0.062689 0.031441 0.162702 34O 1pz -0.014209 0.005595 0.004447 -0.020908 0.004873 -0.011492 34O 1px -0.021867 -0.033450 0.109033 -0.012682 -0.008294 -0.016180 34O 1py -0.007687 0.006180 -0.040652 0.024967 -0.017541 0.001884 34O 2pz 0.019883 -0.029178 0.020514 0.038218 -0.018674 0.039931 34O 2px 0.181777 0.307184 -0.830677 0.189079 -0.002233 0.139557 34O 2py -0.016461 -0.069026 0.216804 -0.102610 0.037069 -0.013683 34O 3pz -0.084692 0.035030 -0.038963 -0.122165 -0.083761 -0.010195 34O 3px 0.031656 0.086399 -0.158725 0.104257 -0.060511 -0.035463 34O 3py -0.047737 0.021442 0.094558 -0.000062 -0.100265 0.069267 34O 1dz2 -0.278807 -0.256734 0.063239 -0.279808 -0.367476 -0.147881 34O 1dxz -0.018188 0.018859 -0.013748 -0.017305 0.017941 -0.016468 34O 1dyz 0.069751 0.011318 0.065332 0.161597 0.106168 0.048951 34O 1dx2y2 -0.122643 -0.069610 -0.096530 -0.057289 -0.249098 -0.057784 34O 1dxy 0.009234 -0.014123 0.110826 0.060613 0.064628 0.024403 34O 2dz2 0.118784 0.076423 0.149562 0.138509 0.225740 0.068362 34O 2dxz -0.022611 -0.022195 0.053870 -0.029570 -0.036065 0.034009 34O 2dyz -0.029013 0.000343 -0.067797 -0.085135 -0.059110 -0.037684 34O 2dx2y2 0.127602 0.167280 -0.263985 0.092389 0.136228 0.097137 34O 2dxy -0.052983 -0.041794 0.051073 -0.063158 -0.077434 -0.002333 34O 1f0 0.036468 0.003104 0.003713 0.030418 0.024339 -0.041628 34O 1f+1 -0.012602 -0.042876 0.194942 0.027376 0.028697 0.018702 34O 1f-1 0.006720 0.015099 -0.046849 -0.001325 0.017094 -0.019096 34O 1f+2 -0.028816 0.017456 -0.012818 -0.049614 -0.027726 0.025603 34O 1f-2 0.032582 0.027179 -0.053895 0.008247 0.015543 -0.034824 34O 1f+3 -0.040491 -0.129480 0.195614 -0.016449 -0.004389 -0.083709 34O 1f-3 0.087748 0.101207 -0.208806 0.017368 0.095322 -0.015120 35O 1s 0.002299 -0.004727 0.003827 -0.001452 -0.001324 -0.000070 35O 2s 0.010176 -0.021157 0.018896 -0.003589 -0.002373 0.000516 35O 3s -0.177794 0.371661 -0.367493 0.023696 -0.006799 -0.027723 35O 4s 0.525658 -1.090147 1.134598 0.030107 0.159161 0.099638 35O 5s 0.128188 -0.207923 0.044362 -0.032965 0.008119 0.148803 35O 1pz 0.006620 0.002894 -0.030547 -0.018263 -0.021374 -0.004558 35O 1px -0.032097 0.076029 -0.101951 0.006822 0.004546 -0.011840 35O 1py -0.025303 0.026496 -0.057162 -0.000438 -0.015947 0.007276 35O 2pz 0.017430 -0.055263 0.132526 0.041446 0.066422 0.021899 35O 2px 0.322351 -0.681227 0.810002 0.020360 0.089289 0.115954 35O 2py 0.158149 -0.285487 0.386039 0.028210 0.073103 -0.005494 35O 3pz 0.016073 -0.002541 0.046999 -0.115474 0.020200 -0.025486 35O 3px 0.106146 -0.180984 0.132607 0.003783 0.165447 -0.026150 35O 3py -0.006301 -0.057934 0.072216 0.081480 -0.042191 -0.055604 35O 1dz2 0.298171 0.143115 -0.038935 -0.379792 0.175905 -0.126589 35O 1dxz 0.083996 -0.030610 0.066579 -0.051548 0.028660 -0.043250 35O 1dyz -0.102227 -0.275505 0.074609 0.167556 -0.206743 0.120454 35O 1dx2y2 0.157135 -0.034099 0.069202 -0.101570 0.139266 -0.037388 35O 1dxy 0.202185 -0.100035 0.128278 -0.134065 0.129942 -0.037160 35O 2dz2 -0.256811 0.099976 -0.189523 0.222085 -0.128660 0.067585 35O 2dxz -0.009615 -0.034704 0.009153 0.002258 -0.008419 0.054461 35O 2dyz 0.068274 0.148959 -0.045415 -0.113718 0.123665 -0.068868 35O 2dx2y2 0.024273 -0.190915 0.202614 0.045607 -0.033437 0.079624 35O 2dxy -0.024780 -0.170594 0.171125 0.110221 -0.080773 0.021972 35O 1f0 -0.060251 0.073817 -0.087152 0.046458 0.002637 -0.015335 35O 1f+1 -0.129559 0.186040 -0.191250 0.035388 -0.017458 0.032832 35O 1f-1 -0.060938 0.127297 -0.092031 0.002163 0.019528 0.036384 35O 1f+2 0.059437 -0.142295 0.108686 -0.032990 -0.010985 0.054876 35O 1f-2 0.030310 0.004850 0.050070 -0.051942 0.006092 -0.013049 35O 1f+3 -0.056470 0.056105 -0.044564 0.041622 -0.055978 -0.079308 35O 1f-3 -0.069115 0.261638 -0.249486 -0.027593 0.051182 -0.013573 690 691 692 693 694 695 6.41284 6.42044 6.42369 6.42547 6.45396 6.48754 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s 0.000133 -0.000085 -0.000041 0.000109 -0.000358 0.001870 0Rh 2s -0.000970 0.000542 0.000217 -0.000934 0.002283 -0.011753 0Rh 3s 0.000238 -0.000195 -0.000119 0.000112 -0.000835 0.004465 0Rh 4s 0.006268 -0.003539 -0.001465 0.005953 -0.015035 0.077384 0Rh 5s -0.017714 0.009698 0.004138 -0.017190 0.042455 -0.215150 0Rh 6s 0.022237 -0.010303 -0.004847 0.023734 -0.052267 0.242139 0Rh 7s -0.052144 0.001574 0.006832 -0.044177 0.063284 -0.253196 0Rh 8s -0.011114 0.003400 -0.004017 -0.001319 0.025400 -0.049334 0Rh 1pz -0.000961 0.013301 0.003708 0.005482 -0.000353 0.016228 0Rh 1px 0.000967 0.007580 -0.000057 0.000523 0.001794 -0.044383 0Rh 1py -0.010329 -0.003417 0.006870 0.006492 -0.001878 -0.012109 0Rh 2pz 0.004061 -0.055741 -0.015551 -0.022985 0.001427 -0.068295 0Rh 2px -0.004023 -0.031824 0.000253 -0.002158 -0.007409 0.186811 0Rh 2py 0.043526 0.014299 -0.028806 -0.027221 0.007954 0.050972 0Rh 3pz -0.014042 0.184922 0.051786 0.076488 -0.003637 0.232151 0Rh 3px 0.012777 0.106833 -0.001051 0.006524 0.022116 -0.635557 0Rh 3py -0.148857 -0.047030 0.095949 0.090718 -0.027878 -0.173399 0Rh 4pz 0.019568 -0.244239 -0.068993 -0.101705 0.001197 -0.323756 0Rh 4px -0.015202 -0.145372 0.001528 -0.006930 -0.020545 0.888054 0Rh 4py 0.207895 0.061057 -0.128689 -0.121772 0.040031 0.241906 0Rh 5pz -0.010500 0.120183 0.035490 0.051654 0.006470 0.201798 0Rh 5px 0.003954 0.083071 0.000730 0.000563 -0.009059 -0.556947 0Rh 5py -0.127947 -0.028012 0.070169 0.065719 -0.021794 -0.148980 0Rh 6pz 0.051230 0.690766 0.182248 0.282293 -0.016055 0.094008 0Rh 6px 0.050017 0.248321 -0.025115 0.011163 0.100215 -0.118028 0Rh 6py 0.254792 -0.242675 0.359767 0.380773 -0.034114 -0.173955 0Rh 1dz2 0.000458 0.006514 0.002791 0.003898 0.014929 -0.007462 0Rh 1dxz -0.003901 -0.007102 -0.001752 -0.002795 0.007620 -0.011172 0Rh 1dyz 0.004672 0.003051 0.002391 0.003299 -0.005597 -0.002100 0Rh 1dx2y2 0.000330 -0.004361 0.001136 0.001197 0.007066 0.015785 0Rh 1dxy -0.008575 0.004241 -0.005206 -0.005037 -0.002100 0.008621 0Rh 2dz2 -0.000843 -0.002715 -0.001381 -0.001847 -0.004183 0.001248 0Rh 2dxz 0.001262 0.003463 0.000758 0.001313 -0.001942 0.002253 0Rh 2dyz -0.001537 -0.000972 -0.000868 -0.001354 0.001521 0.000702 0Rh 2dx2y2 -0.000572 0.001955 -0.000616 -0.000728 -0.002358 -0.003312 0Rh 2dxy 0.003417 -0.001865 0.002485 0.002351 0.000806 -0.002824 0Rh 3dz2 0.001768 -0.022784 -0.008599 -0.012479 -0.062960 0.035391 0Rh 3dxz 0.015469 0.022249 0.006031 0.009038 -0.033159 0.051152 0Rh 3dyz -0.018348 -0.012412 -0.009027 -0.011690 0.023826 0.008161 0Rh 3dx2y2 0.001028 0.014419 -0.003323 -0.003080 -0.027864 -0.071470 0Rh 3dxy 0.030616 -0.014398 0.016499 0.016249 0.007704 -0.034078 0Rh 4dz2 -0.008723 0.049620 0.016608 0.025324 0.152198 -0.084741 0Rh 4dxz -0.035507 -0.044497 -0.013309 -0.018603 0.081851 -0.121370 0Rh 4dyz 0.041670 0.031609 0.020517 0.025997 -0.057169 -0.017422 0Rh 4dx2y2 -0.005020 -0.028883 0.007071 0.005593 0.063612 0.167911 0Rh 4dxy -0.065339 0.031311 -0.032303 -0.032304 -0.017131 0.075986 0Rh 5dz2 0.032963 -0.060022 -0.011305 -0.024261 -0.269818 0.115844 0Rh 5dxz 0.052766 0.038487 0.018465 0.015899 -0.158104 0.164885 0Rh 5dyz -0.056771 -0.063328 -0.029473 -0.032689 0.090653 0.014766 0Rh 5dx2y2 0.016475 0.021819 -0.011907 -0.000778 -0.075289 -0.219098 0Rh 5dxy 0.078473 -0.040583 0.021663 0.026571 0.025938 -0.082881 0Rh 1f0 0.004655 0.000228 0.000627 0.001167 -0.006037 -0.012122 0Rh 1f+1 -0.003689 0.000475 0.000681 0.001126 0.007710 0.008189 0Rh 1f-1 0.006358 0.002203 0.002672 0.003164 0.005958 -0.000129 0Rh 1f+2 0.005773 -0.003868 0.000069 0.000505 0.005512 0.013551 0Rh 1f-2 0.003078 -0.002622 0.002415 0.002273 -0.004530 0.003506 0Rh 1f+3 0.007448 0.001483 0.000215 0.000475 -0.004851 0.018449 0Rh 1f-3 -0.009810 -0.001179 0.002312 0.002880 -0.005546 0.008807 1Rh 1s -0.000126 -0.000096 -0.000045 0.000101 0.000352 0.001892 1Rh 2s 0.000928 0.000626 0.000245 -0.000884 -0.002247 -0.011897 1Rh 3s -0.000221 -0.000215 -0.000129 0.000097 0.000818 0.004514 1Rh 4s -0.005993 -0.004082 -0.001652 0.005629 0.014793 0.078335 1Rh 5s 0.016958 0.011237 0.004670 -0.016277 -0.041794 -0.217851 1Rh 6s -0.021431 -0.012271 -0.005515 0.022611 0.051574 0.245515 1Rh 7s 0.052125 0.004774 0.008177 -0.042558 -0.062461 -0.257706 1Rh 8s 0.011549 0.007080 -0.004277 -0.000812 -0.025184 -0.052521 1Rh 1pz -0.000750 -0.013127 -0.003887 -0.005473 -0.000789 -0.016033 1Rh 1px 0.001196 -0.007563 -0.000039 -0.000512 0.001512 0.044581 1Rh 1py -0.010250 0.003274 -0.006911 -0.006496 -0.001974 0.012096 1Rh 2pz 0.003176 0.055010 0.016306 0.022950 0.003263 0.067472 1Rh 2px -0.004984 0.031751 0.000150 0.002112 -0.006224 -0.187641 1Rh 2py 0.043196 -0.013699 0.028978 0.027239 0.008359 -0.050914 1Rh 3pz -0.011131 -0.182419 -0.054372 -0.076399 -0.009861 -0.229327 1Rh 3px 0.016033 -0.106514 -0.000306 -0.006343 0.018111 0.638221 1Rh 3py -0.147736 0.045044 -0.096515 -0.090767 -0.029280 0.173175 1Rh 4pz 0.015843 0.240763 0.072632 0.101632 0.009865 0.319897 1Rh 4px -0.019737 0.144699 0.000300 0.006591 -0.015016 -0.891143 1Rh 4py 0.206327 -0.058472 0.129427 0.121809 0.042062 -0.241587 1Rh 5pz -0.009054 -0.118146 -0.037783 -0.051610 0.001085 -0.200274 1Rh 5px 0.006862 -0.082250 -0.001734 -0.000161 -0.012380 0.557194 1Rh 5py -0.126927 0.026737 -0.070529 -0.065735 -0.023225 0.149216 1Rh 6pz 0.063580 -0.694993 -0.179971 -0.280390 -0.032589 -0.082329 1Rh 6px 0.052316 -0.249539 0.026184 -0.010753 0.093691 0.128677 1Rh 6py 0.253523 0.245289 -0.360833 -0.379014 -0.032310 0.165703 1Rh 1dz2 -0.000653 0.006854 0.002853 0.003995 -0.014710 -0.007526 1Rh 1dxz 0.003977 -0.007127 -0.001625 -0.002663 -0.007834 -0.011252 1Rh 1dyz -0.005046 0.002794 0.002519 0.003432 0.005590 -0.002055 1Rh 1dx2y2 -0.000305 -0.004347 0.001237 0.001281 -0.007222 0.015942 1Rh 1dxy 0.008434 0.004177 -0.005174 -0.005009 0.002053 0.008682 1Rh 2dz2 0.000919 -0.002788 -0.001391 -0.001863 0.004089 0.001254 1Rh 2dxz -0.001304 0.003511 0.000717 0.001272 0.002059 0.002268 1Rh 2dyz 0.001691 -0.000898 -0.000923 -0.001415 -0.001509 0.000687 1Rh 2dx2y2 0.000565 0.001968 -0.000652 -0.000758 0.002418 -0.003338 1Rh 2dxy -0.003356 -0.001844 0.002472 0.002337 -0.000787 -0.002835 1Rh 3dz2 -0.001052 -0.024318 -0.008900 -0.012946 0.062213 0.035723 1Rh 3dxz -0.015682 0.022143 0.005530 0.008508 0.033778 0.051531 1Rh 3dyz 0.019681 -0.011344 -0.009465 -0.012133 -0.023851 0.007982 1Rh 3dx2y2 -0.001126 0.014273 -0.003710 -0.003397 0.028430 -0.072237 1Rh 3dxy -0.030125 -0.014147 0.016384 0.016158 -0.007536 -0.034369 1Rh 4dz2 0.007086 0.053383 0.017390 0.026547 -0.150623 -0.085645 1Rh 4dxz 0.035915 -0.043957 -0.012164 -0.017360 -0.083039 -0.122393 1Rh 4dyz -0.044738 0.029058 0.021480 0.026961 0.057298 -0.016950 1Rh 4dx2y2 0.005193 -0.028467 0.007945 0.006278 -0.064828 0.169988 1Rh 4dxy 0.064208 0.030703 -0.032036 -0.032110 0.016783 0.076774 1Rh 5dz2 -0.030660 -0.066718 -0.012903 -0.026886 0.268227 0.118378 1Rh 5dxz -0.053055 0.036181 0.016717 0.013771 0.158875 0.167160 1Rh 5dyz 0.061484 -0.059157 -0.030874 -0.034074 -0.091063 0.013238 1Rh 5dx2y2 -0.016373 0.021451 -0.013065 -0.001290 0.076592 -0.224815 1Rh 5dxy -0.076651 -0.039352 0.021226 0.026381 -0.025624 -0.084776 1Rh 1f0 0.004688 0.000212 -0.000667 -0.001181 -0.006025 0.012514 1Rh 1f+1 -0.003691 -0.000343 -0.000868 -0.001293 0.007688 -0.007730 1Rh 1f-1 0.006397 -0.002414 -0.002632 -0.003126 0.005722 0.000107 1Rh 1f+2 0.005718 0.003742 -0.000053 -0.000560 0.005772 -0.013544 1Rh 1f-2 0.003047 0.002796 -0.002387 -0.002242 -0.004539 -0.003885 1Rh 1f+3 0.007417 -0.001276 -0.000148 -0.000419 -0.004899 -0.018182 1Rh 1f-3 -0.009819 0.001295 -0.002274 -0.002812 -0.005529 -0.008928 2C 1s -0.000927 0.000539 0.000450 0.000108 -0.000221 -0.000588 2C 2s -0.000682 0.000736 0.000579 0.000203 -0.000179 0.001350 2C 3s -0.067398 0.021724 -0.003468 0.013338 -0.014790 -0.087069 2C 4s 0.364991 -0.132666 0.012238 -0.109233 0.071345 0.469752 2C 5s 0.077126 -0.038677 -0.105475 -0.128018 -0.038746 -0.607453 2C 1pz -0.011547 0.000710 0.008389 -0.006827 -0.003856 -0.011172 2C 1px -0.006026 0.005724 0.010700 -0.000875 -0.002247 -0.002273 2C 1py 0.004190 0.000415 -0.016758 0.016698 0.004938 -0.009303 2C 2pz 0.212198 -0.048127 -0.031661 0.005378 0.078822 0.236758 2C 2px 0.084256 -0.082315 -0.102381 -0.019964 0.013728 0.041361 2C 2py 0.072382 -0.051998 0.155200 -0.186555 -0.070435 0.173229 2C 3pz 0.030048 0.007649 0.001709 -0.034006 -0.015906 -0.103760 2C 3px -0.007654 -0.029565 -0.002932 -0.033644 0.011307 -0.033171 2C 3py 0.024943 -0.020570 -0.037870 0.006450 0.013026 -0.073297 2C 1dz2 0.001191 0.000637 0.017524 -0.008860 -0.003655 0.006459 2C 1dxz -0.001673 -0.007724 0.007751 -0.017063 -0.004475 0.003302 2C 1dyz 0.014645 -0.004253 -0.005382 0.003195 0.006686 0.007787 2C 1dx2y2 -0.010859 0.002388 0.009937 -0.008926 -0.003438 -0.001506 2C 1dxy 0.004634 -0.006104 -0.008228 -0.000859 -0.002585 0.000540 2C 2dz2 0.071637 0.005408 -0.022277 0.045373 -0.007598 0.053017 2C 2dxz 0.006850 -0.040272 -0.016124 -0.057165 -0.021602 0.028160 2C 2dyz 0.053345 -0.020975 0.045286 -0.046082 0.004948 0.088788 2C 2dx2y2 0.018362 -0.009900 -0.042599 0.032149 -0.023276 -0.029970 2C 2dxy 0.020351 -0.031182 -0.062936 0.004662 0.054577 0.016740 2C 1f0 0.013994 0.008513 0.009138 0.015232 -0.023267 0.002557 2C 1f+1 0.003109 -0.010305 -0.009622 -0.011403 0.019438 0.004675 2C 1f-1 0.010477 0.003034 0.002993 0.004035 0.017535 0.021707 2C 1f+2 -0.016215 -0.001935 -0.007856 -0.005522 0.004095 -0.010977 2C 1f-2 0.016731 -0.023624 -0.019153 -0.014519 -0.014566 0.010157 2C 1f+3 0.000294 -0.012147 0.006053 -0.017409 -0.031515 0.001539 2C 1f-3 0.008597 0.001607 -0.003251 0.010013 -0.001581 -0.000875 3C 1s -0.000055 -0.000053 0.000206 -0.000618 0.000096 -0.000632 3C 2s -0.000608 -0.000087 0.000176 -0.000788 0.000230 0.001375 3C 3s 0.070057 -0.022063 -0.013919 -0.003391 0.010927 -0.095272 3C 4s -0.380935 0.126425 0.099307 0.005429 -0.060648 0.512046 3C 5s 0.016437 -0.106983 0.073181 0.015094 0.002361 -0.664670 3C 1pz 0.016480 -0.004027 -0.016690 0.018574 0.001103 -0.005474 3C 1px 0.005809 0.005940 -0.005810 0.001922 -0.000139 -0.002896 3C 1py -0.002106 0.000026 -0.007726 0.008875 0.000041 0.013578 3C 2pz -0.236453 0.088170 0.181997 -0.174860 -0.008015 0.146661 3C 2px -0.118760 -0.042065 0.087975 -0.002889 0.022188 0.079869 3C 2py 0.183896 -0.087122 0.003960 -0.046789 0.067968 -0.267131 3C 3pz -0.001092 -0.001590 -0.016855 0.032700 0.000312 -0.042841 3C 3px 0.000475 -0.023353 0.021765 0.023226 -0.008227 -0.066860 3C 3py 0.023276 0.007926 -0.027692 0.023481 -0.002092 0.117337 3C 1dz2 0.009429 0.000390 -0.010967 0.007880 -0.001534 -0.000937 3C 1dxz 0.001193 -0.002979 -0.005226 0.010154 0.001843 0.002519 3C 1dyz 0.002295 -0.007539 0.007938 -0.009311 0.003412 -0.009539 3C 1dx2y2 0.019028 -0.011029 -0.014120 0.014029 0.002945 -0.005440 3C 1dxy 0.009247 0.004413 -0.008300 0.001817 0.004888 -0.003617 3C 2dz2 -0.030007 0.021221 0.059936 -0.073228 0.006288 -0.018402 3C 2dxz -0.025544 -0.015897 0.026852 -0.023714 -0.054042 0.021036 3C 2dyz 0.081443 -0.054862 -0.019293 0.013516 0.023749 -0.087016 3C 2dx2y2 0.056756 -0.048873 -0.009825 0.018650 -0.029292 -0.070779 3C 2dxy 0.055882 0.035655 -0.055747 0.015473 0.006569 -0.038326 3C 1f0 0.018688 -0.002985 -0.011725 0.005786 -0.021214 -0.011302 3C 1f+1 -0.002245 0.006487 -0.006592 0.009731 0.017130 0.001156 3C 1f-1 -0.000398 -0.010477 -0.001410 0.010802 0.018772 -0.001365 3C 1f+2 0.002244 -0.017663 0.013201 -0.004428 0.010659 -0.023085 3C 1f-2 0.012842 0.006174 -0.004627 -0.008289 -0.011880 -0.012211 3C 1f+3 0.000538 -0.018686 0.001527 0.007475 -0.029359 0.007463 3C 1f-3 0.010172 -0.027935 0.003843 0.005774 -0.006696 -0.010646 4C 1s 0.002287 -0.004237 -0.000230 -0.001424 0.000735 -0.015085 4C 2s 0.002110 -0.005936 -0.000913 -0.002538 0.000695 -0.025050 4C 3s 0.098105 -0.047541 0.021272 0.003933 0.026704 0.154180 4C 4s -0.485784 0.411038 -0.087761 0.066769 -0.133353 0.056504 4C 5s 0.061847 0.041995 0.022585 0.048728 -0.001725 0.351526 4C 1pz -0.013365 0.014717 0.000057 0.012074 -0.001102 0.017258 4C 1px 0.005027 0.005843 0.003720 0.004405 -0.002388 0.005110 4C 1py -0.008108 0.010773 0.000035 0.010614 -0.001631 0.013671 4C 2pz 0.104080 0.011939 0.072130 -0.177883 0.039759 0.440000 4C 2px -0.099238 0.026061 0.121450 0.029311 -0.158911 0.070701 4C 2py 0.127786 0.006851 -0.108100 0.065054 -0.007008 0.278613 4C 3pz 0.099327 -0.068542 -0.132784 -0.089454 -0.000452 -0.290142 4C 3px 0.000463 0.177343 0.112718 0.193786 -0.033280 -0.062906 4C 3py 0.057804 0.033431 0.067074 -0.073685 -0.029756 -0.192233 4C 1dz2 -0.003287 -0.024862 0.037725 -0.056473 -0.029503 -0.046293 4C 1dxz -0.013182 -0.000785 0.035823 -0.011959 0.031000 -0.066541 4C 1dyz -0.002142 0.005541 -0.030568 0.015998 0.039309 0.000233 4C 1dx2y2 -0.050840 0.045366 0.037113 -0.015865 0.031475 0.110894 4C 1dxy 0.004092 0.012302 0.013486 0.020985 -0.084298 0.043416 4C 2dz2 0.012836 0.040068 -0.052731 0.150927 0.006466 -0.098367 4C 2dxz -0.024181 -0.089034 -0.119077 -0.014255 0.018580 -0.075859 4C 2dyz -0.130713 0.072405 0.038711 -0.002284 0.015826 -0.087518 4C 2dx2y2 0.018833 0.052082 -0.084224 0.016745 0.039255 0.090670 4C 2dxy -0.038026 -0.075914 -0.035052 -0.041905 -0.124034 -0.011258 4C 1f0 0.051310 -0.054456 -0.034021 0.008901 -0.074576 -0.024132 4C 1f+1 0.036847 0.013098 -0.045412 0.059503 0.104097 -0.038945 4C 1f-1 0.010638 -0.002912 0.001675 -0.022393 0.059422 0.004011 4C 1f+2 -0.045147 0.048084 0.018216 -0.005598 0.040477 0.032852 4C 1f-2 -0.015008 0.006507 0.086248 -0.027870 -0.068650 0.001418 4C 1f+3 0.074757 -0.011316 -0.064072 0.086307 -0.072855 -0.006031 4C 1f-3 -0.010541 -0.020222 0.092680 -0.068961 -0.031266 -0.031791 5C 1s -0.000042 0.005579 0.001211 0.002823 -0.002203 -0.013764 5C 2s 0.001068 0.008272 0.001654 0.004046 -0.002615 -0.022722 5C 3s -0.092829 0.025558 0.023643 0.020835 -0.027028 0.149707 5C 4s 0.399887 -0.397253 -0.179764 -0.207627 0.197330 -0.004379 5C 5s -0.085385 0.023927 -0.033533 -0.003336 0.029023 0.402903 5C 1pz 0.005601 -0.011853 -0.005990 0.000306 0.004389 0.007885 5C 1px 0.003268 -0.004034 -0.008394 -0.003787 -0.002106 0.004917 5C 1py -0.014071 0.019070 0.008248 0.001938 -0.006754 -0.013325 5C 2pz -0.010459 -0.060760 -0.069925 0.073262 0.038371 0.263599 5C 2px -0.142238 0.112738 -0.037026 -0.054714 -0.041839 0.167814 5C 2py 0.257775 0.017890 -0.147802 0.174706 0.006768 -0.429608 5C 3pz -0.045523 -0.086809 0.125320 -0.042481 0.005699 -0.212176 5C 3px -0.030412 0.233335 -0.062059 -0.095019 -0.007881 -0.027481 5C 3py 0.066712 0.073861 -0.029929 -0.062178 -0.017929 0.298609 5C 1dz2 0.035685 0.002589 -0.036278 0.053078 -0.047711 -0.050166 5C 1dxz -0.014714 0.045438 -0.012762 0.038753 0.064505 -0.061128 5C 1dyz -0.021506 0.025941 0.023682 -0.022298 -0.013734 -0.024103 5C 1dx2y2 0.020597 -0.027858 -0.048499 0.008190 0.021452 0.097550 5C 1dxy -0.002377 -0.030294 0.004839 0.016329 0.070336 0.031560 5C 2dz2 -0.052772 0.063576 0.057267 -0.083264 -0.074021 -0.005243 5C 2dxz -0.013186 -0.003188 0.072997 0.030979 0.053929 -0.098456 5C 2dyz -0.074336 0.000599 0.004984 0.072621 -0.031240 0.070923 5C 2dx2y2 -0.116857 -0.058124 0.114517 -0.088936 -0.006076 0.098576 5C 2dxy -0.064398 0.134291 0.009435 -0.024272 0.076316 0.107444 5C 1f0 -0.002007 -0.012882 0.030818 -0.048468 -0.092926 -0.025802 5C 1f+1 -0.082758 0.044167 0.094135 -0.056400 0.058815 -0.030681 5C 1f-1 -0.029469 0.025510 0.024965 -0.018140 0.047612 0.002500 5C 1f+2 0.056100 0.017034 -0.074669 0.066617 0.059136 0.009652 5C 1f-2 0.034765 -0.049811 -0.003952 -0.026087 -0.040872 0.023486 5C 1f+3 0.011489 0.030606 -0.013826 -0.011875 -0.113420 -0.016720 5C 1f-3 -0.034042 0.009671 0.053576 -0.102024 -0.021827 0.034205 6C 1s -0.000372 0.005564 0.001214 0.002768 0.002304 -0.013279 6C 2s -0.001758 0.008245 0.001690 0.004002 0.002753 -0.022078 6C 3s 0.094299 0.026503 0.022005 0.019200 0.027586 0.151987 6C 4s -0.384452 -0.399845 -0.173309 -0.199637 -0.204772 -0.033242 6C 5s 0.079242 0.027048 -0.033983 -0.003342 -0.031677 0.390135 6C 1pz 0.004652 0.012162 0.005702 -0.000523 0.004430 -0.007668 6C 1px 0.002433 0.003679 0.009081 0.004495 -0.002077 -0.004200 6C 1py -0.012348 -0.019363 -0.008065 -0.001834 -0.006812 0.012866 6C 2pz -0.009689 0.054517 0.073306 -0.072287 0.041431 -0.255823 6C 2px -0.138787 -0.111546 0.033426 0.049891 -0.042343 -0.172370 6C 2py 0.254882 -0.012895 0.145553 -0.173398 0.003046 0.416172 6C 3pz -0.041919 0.085080 -0.125086 0.041760 0.009708 0.212410 6C 3px -0.024574 -0.232380 0.060896 0.093170 -0.011775 0.024513 6C 3py 0.059404 -0.070015 0.029641 0.063690 -0.023186 -0.296450 6C 1dz2 -0.037031 0.001952 -0.036859 0.052136 0.047765 -0.047617 6C 1dxz 0.012247 0.047607 -0.012471 0.039155 -0.063624 -0.058387 6C 1dyz 0.020592 0.025520 0.023777 -0.022370 0.014173 -0.023141 6C 1dx2y2 -0.017712 -0.027399 -0.048627 0.008414 -0.021911 0.094737 6C 1dxy 0.003480 -0.028710 0.005121 0.016853 -0.070647 0.030182 6C 2dz2 0.051970 0.062125 0.056435 -0.084680 0.075431 -0.004462 6C 2dxz 0.014303 -0.003988 0.074817 0.031364 -0.052657 -0.093813 6C 2dyz 0.071467 0.002073 0.004208 0.072184 0.030213 0.074370 6C 2dx2y2 0.114403 -0.057456 0.115459 -0.086542 0.002775 0.093097 6C 2dxy 0.060876 0.138630 0.007619 -0.024902 -0.074008 0.102509 6C 1f0 -0.002344 0.016131 -0.030840 0.048834 -0.092725 0.025386 6C 1f+1 -0.081619 -0.045135 -0.094804 0.055850 0.057798 0.030867 6C 1f-1 -0.028984 -0.026378 -0.025531 0.017323 0.047093 -0.002172 6C 1f+2 0.056046 -0.018836 0.074777 -0.066716 0.058564 -0.009639 6C 1f-2 0.033065 0.051276 0.004198 0.026469 -0.039977 -0.020554 6C 1f+3 0.012218 -0.028355 0.014906 0.013586 -0.114095 0.014640 6C 1f-3 -0.034793 -0.007945 -0.054373 0.101047 -0.021753 -0.030107 7C 1s -0.001925 -0.004112 -0.000169 -0.001477 -0.000698 -0.014861 7C 2s -0.001524 -0.005822 -0.000806 -0.002608 -0.000629 -0.024762 7C 3s -0.098921 -0.043676 0.018563 0.004693 -0.027835 0.155808 7C 4s 0.471023 0.389499 -0.077069 0.063517 0.136635 0.040435 7C 5s -0.059131 0.042208 0.022409 0.047958 0.004305 0.344463 7C 1pz -0.012029 -0.014727 -0.000558 -0.011642 -0.001129 -0.016482 7C 1px 0.005205 -0.005073 -0.004252 -0.004869 -0.002582 -0.005858 7C 1py -0.007328 -0.010607 -0.000483 -0.010594 -0.001719 -0.013604 7C 2pz 0.104692 -0.010798 -0.063001 0.173263 0.039935 -0.437560 7C 2px -0.100507 -0.029462 -0.115524 -0.026366 -0.154740 -0.072426 7C 2py 0.128967 -0.004210 0.114454 -0.067282 -0.005118 -0.275627 7C 3pz 0.090456 0.069750 0.133505 0.090039 -0.002248 0.289577 7C 3px 0.001676 -0.176322 -0.111716 -0.192524 -0.040302 0.061051 7C 3py 0.052841 -0.032322 -0.065715 0.075446 -0.034038 0.188670 7C 1dz2 0.004631 -0.024825 0.037449 -0.057081 0.029376 -0.044787 7C 1dxz 0.014731 0.001124 0.035851 -0.011863 -0.030536 -0.064621 7C 1dyz 0.002065 0.005804 -0.030089 0.016195 -0.039253 -0.000347 7C 1dx2y2 0.048018 0.045971 0.037118 -0.015528 -0.031385 0.109862 7C 1dxy -0.005098 0.009933 0.013015 0.020667 0.084175 0.042795 7C 2dz2 -0.015384 0.037263 -0.048954 0.150914 -0.003764 -0.099932 7C 2dxz 0.025424 -0.086411 -0.117721 -0.015903 -0.023239 -0.075859 7C 2dyz 0.128163 0.072087 0.042101 -0.002738 -0.014575 -0.087195 7C 2dx2y2 -0.019783 0.049860 -0.085922 0.018210 -0.038936 0.086569 7C 2dxy 0.039120 -0.078506 -0.036050 -0.043525 0.120081 -0.012719 7C 1f0 0.049911 0.056201 0.034472 -0.008521 -0.073378 0.024418 7C 1f+1 0.036467 -0.015991 0.044720 -0.060285 0.103402 0.039583 7C 1f-1 0.010175 0.001008 -0.001612 0.022120 0.059069 -0.004970 7C 1f+2 -0.043812 -0.047875 -0.018935 0.005116 0.039191 -0.031691 7C 1f-2 -0.015159 -0.006690 -0.085149 0.028588 -0.068735 -0.002938 7C 1f+3 0.074917 0.015116 0.063998 -0.086400 -0.073503 0.008356 7C 1f-3 -0.011400 0.018851 -0.092249 0.069538 -0.031928 0.028288 8C 1s 0.000060 -0.000070 0.000208 -0.000595 -0.000094 -0.000648 8C 2s 0.000622 -0.000087 0.000174 -0.000765 -0.000234 0.001314 8C 3s -0.068634 -0.023746 -0.013078 -0.002825 -0.010674 -0.094876 8C 4s 0.370810 0.135563 0.094823 0.002936 0.058514 0.508717 8C 5s -0.020168 -0.105627 0.074064 0.017659 -0.006374 -0.655453 8C 1pz 0.016396 0.003958 0.016754 -0.018429 0.001060 0.005045 8C 1px 0.005864 -0.005864 0.005797 -0.001887 -0.000252 0.002797 8C 1py -0.002047 -0.000331 0.007894 -0.008819 0.000094 -0.013529 8C 2pz -0.232121 -0.090351 -0.181326 0.173205 -0.006411 -0.142834 8C 2px -0.116779 0.039435 -0.087298 0.002395 0.023286 -0.079879 8C 2py 0.177085 0.091935 -0.007427 0.045612 0.067501 0.266979 8C 3pz 0.000058 0.000579 0.016851 -0.033037 0.000468 0.042230 8C 3px 0.000551 0.023146 -0.021320 -0.022822 -0.007415 0.066688 8C 3py 0.022130 -0.007479 0.027760 -0.022965 -0.002802 -0.115345 8C 1dz2 -0.009377 0.000395 -0.011031 0.007764 0.001621 -0.000819 8C 1dxz -0.001378 -0.002792 -0.005452 0.010207 -0.001889 0.002839 8C 1dyz -0.001974 -0.007831 0.008134 -0.009098 -0.003529 -0.009930 8C 1dx2y2 -0.018642 -0.011085 -0.014023 0.013932 -0.003008 -0.005344 8C 1dxy -0.009151 0.004404 -0.008313 0.001894 -0.004669 -0.003809 8C 2dz2 0.029817 0.020355 0.060510 -0.072732 -0.005364 -0.019732 8C 2dxz 0.024594 -0.016828 0.025674 -0.023086 0.053216 0.020260 8C 2dyz -0.079236 -0.056052 -0.018718 0.014282 -0.024754 -0.086875 8C 2dx2y2 -0.054639 -0.050880 -0.008888 0.017539 0.029084 -0.069949 8C 2dxy -0.055616 0.034892 -0.055753 0.015588 -0.004693 -0.037566 8C 1f0 0.018512 0.003600 0.011859 -0.005444 -0.021341 0.011059 8C 1f+1 -0.002097 -0.007156 0.006386 -0.009582 0.016987 -0.001322 8C 1f-1 -0.000557 0.009923 0.001285 -0.010879 0.019112 0.001330 8C 1f+2 0.002021 0.017817 -0.013467 0.004061 0.011028 0.023091 8C 1f-2 0.012759 -0.005441 0.004589 0.008135 -0.012121 0.012338 8C 1f+3 0.000449 0.019081 -0.001195 -0.007002 -0.028922 -0.007646 8C 1f-3 0.009657 0.028275 -0.003849 -0.005720 -0.006195 0.010667 9C 1s 0.000887 0.000534 0.000436 0.000128 0.000228 -0.000593 9C 2s 0.000625 0.000731 0.000541 0.000238 0.000186 0.001329 9C 3s 0.066586 0.020492 -0.001290 0.012706 0.015069 -0.087324 9C 4s -0.358739 -0.127002 -0.000775 -0.105452 -0.073236 0.470919 9C 5s -0.068062 -0.042464 -0.104809 -0.132096 0.040624 -0.600737 9C 1pz -0.011569 -0.000762 -0.008763 0.007059 -0.003923 0.010841 9C 1px -0.005898 -0.005750 -0.010652 0.000890 -0.002467 0.002029 9C 1py 0.004089 -0.000202 0.016312 -0.016643 0.004885 0.009851 9C 2pz 0.209299 0.044716 0.041126 -0.009751 0.079717 -0.235929 9C 2px 0.081467 0.081249 0.103073 0.019974 0.018647 -0.039803 9C 2py 0.071871 0.050002 -0.146857 0.184699 -0.069601 -0.178505 9C 3pz 0.028409 -0.006999 -0.001210 0.034825 -0.016995 0.101420 9C 3px -0.007967 0.028487 0.003341 0.033101 0.011374 0.032421 9C 3py 0.023428 0.020618 0.037607 -0.006319 0.013111 0.074197 9C 1dz2 -0.001139 0.001022 0.017145 -0.008810 0.003883 0.006934 9C 1dxz 0.001935 -0.007505 0.007426 -0.017118 0.004142 0.003781 9C 1dyz -0.014341 -0.003991 -0.005427 0.003115 -0.006616 0.007819 9C 1dx2y2 0.010887 0.002411 0.010230 -0.009168 0.003611 -0.001231 9C 1dxy -0.004454 -0.006204 -0.008280 -0.000930 0.002283 0.000511 9C 2dz2 -0.071705 0.004710 -0.025176 0.046995 0.007770 0.051444 9C 2dxz -0.006576 -0.040877 -0.018020 -0.055903 0.021438 0.027728 9C 2dyz -0.052445 -0.018796 0.042666 -0.045795 -0.005137 0.090547 9C 2dx2y2 -0.017788 -0.010968 -0.039465 0.030098 0.024402 -0.031187 9C 2dxy -0.019765 -0.030481 -0.063114 0.004873 -0.055006 0.015790 9C 1f0 0.014053 -0.007846 -0.009013 -0.014849 -0.024057 -0.002327 9C 1f+1 0.002635 0.009424 0.009362 0.011325 0.019921 -0.004721 9C 1f-1 0.010517 -0.003772 -0.002621 -0.004424 0.017277 -0.021636 9C 1f+2 -0.016149 0.001958 0.007839 0.005089 0.004307 0.011320 9C 1f-2 0.015996 0.024131 0.019296 0.014787 -0.013686 -0.010030 9C 1f+3 0.000255 0.012991 -0.005434 0.017675 -0.031215 -0.001881 9C 1f-3 0.008329 -0.001670 0.002881 -0.009708 -0.002009 0.001080 10H 1s -0.012250 -0.004115 0.001698 -0.015509 0.002189 -0.002163 10H 2s -0.047435 0.028560 0.046769 -0.011804 -0.002759 0.008685 10H 3s 0.020475 0.003037 -0.007220 0.010038 -0.000755 0.063200 10H 1pz -0.010607 0.007705 0.013185 -0.001125 -0.000187 -0.004108 10H 1px 0.013877 -0.002372 -0.008841 0.008735 -0.000195 -0.000288 10H 1py -0.002204 0.003302 0.007892 0.000106 -0.012176 -0.002867 11H 1s 0.003677 -0.000735 -0.013166 0.008105 0.017445 -0.003548 11H 2s 0.011240 0.008711 -0.059758 0.078233 0.064986 -0.008272 11H 3s -0.016423 0.013076 0.040048 -0.015880 -0.012924 0.049250 11H 1pz 0.003634 0.002357 -0.026861 0.026909 0.012599 -0.008910 11H 1px 0.003956 0.000818 -0.012542 0.014006 0.010111 -0.004246 11H 1py 0.003048 -0.003040 -0.002492 -0.000316 -0.017532 -0.001943 12H 1s -0.002584 -0.002195 0.015113 -0.012162 -0.025907 -0.002858 12H 2s -0.015246 0.003494 0.074790 -0.051170 -0.081839 0.003941 12H 3s -0.003613 -0.007200 -0.000465 0.038021 0.030935 0.046634 12H 1pz -0.011352 0.002002 0.005711 -0.007246 0.016393 -0.003099 12H 1px 0.000544 -0.000680 0.007518 -0.005283 -0.009245 -0.001304 12H 1py -0.013908 0.001860 0.030798 -0.023936 -0.025186 -0.002930 13H 1s -0.000314 -0.010420 0.012872 -0.011840 -0.010302 -0.007623 13H 2s -0.023678 0.020848 0.030042 -0.063899 -0.026484 0.003684 13H 3s -0.008956 -0.002181 -0.016683 0.011590 0.010979 0.078359 13H 1pz -0.007758 0.005117 0.011213 -0.017181 0.002273 -0.004055 13H 1px 0.001920 0.002537 -0.007383 0.011133 0.014554 0.002186 13H 1py 0.004935 -0.007677 -0.004812 0.011262 0.002948 0.003829 14H 1s -0.014358 0.004980 0.016611 -0.014339 0.020409 -0.004826 14H 2s -0.058216 0.018162 0.069538 -0.060559 0.058262 0.004739 14H 3s 0.004854 0.025581 -0.017078 0.026043 -0.017421 0.059518 14H 1pz -0.012735 0.001726 0.021610 -0.021295 0.004659 -0.004662 14H 1px -0.018068 0.005003 0.021420 -0.018530 0.016408 -0.004112 14H 1py -0.003838 0.005279 -0.005442 0.005723 0.016747 0.005796 15H 1s 0.009198 -0.003102 -0.009362 0.010747 -0.010918 -0.002760 15H 2s 0.040830 0.010492 -0.076092 0.069136 -0.040317 0.002079 15H 3s -0.027302 0.015378 0.022496 -0.040749 0.008166 0.045997 15H 1pz -0.000835 -0.003094 0.002590 -0.001832 0.014979 -0.001062 15H 1px 0.003638 -0.001264 -0.007630 0.009347 0.006678 -0.002128 15H 1py -0.021820 0.002004 0.029974 -0.027374 0.006322 0.005939 16H 1s 0.072579 0.010031 0.059541 0.067436 0.060500 -0.117551 16H 2s 0.177389 -0.137520 0.107559 0.101105 0.163327 -0.255641 16H 3s -0.005265 0.009810 0.004311 0.005711 -0.018994 0.051021 16H 1pz 0.144836 -0.071222 0.102981 0.106374 0.110806 -0.151498 16H 1px 0.121392 0.068623 0.096903 0.115435 0.030378 -0.009740 16H 1py -0.033239 0.096120 -0.018050 -0.010963 0.016452 -0.135965 17H 1s 0.061980 -0.042272 0.048936 0.047748 0.065289 -0.122472 17H 2s 0.178160 0.023131 0.123811 0.142218 0.177046 -0.240293 17H 3s -0.005487 -0.010376 -0.000791 -0.001692 -0.021378 0.049820 17H 1pz -0.175773 0.098908 -0.127330 -0.128973 -0.104091 0.104982 17H 1px -0.026585 -0.095992 -0.024773 -0.038616 -0.053481 0.066520 17H 1py -0.029321 -0.055602 -0.024084 -0.032442 0.039588 -0.170219 18H 1s -0.061551 -0.042618 0.049378 0.047974 -0.066002 -0.124112 18H 2s -0.178877 0.019522 0.124331 0.143046 -0.175549 -0.246972 18H 3s 0.005826 -0.010989 -0.001127 -0.002277 0.021053 0.051378 18H 1pz -0.173381 -0.104812 0.126700 0.127724 -0.105817 -0.110023 18H 1px -0.028649 0.097536 0.024745 0.038959 -0.051610 -0.070467 18H 1py -0.035594 0.052755 0.026913 0.035495 0.038527 0.169236 19H 1s -0.073486 0.009820 0.059839 0.067380 -0.058342 -0.118871 19H 2s -0.176976 -0.143052 0.107844 0.101517 -0.162046 -0.256783 19H 3s 0.004708 0.008813 0.004624 0.005816 0.019009 0.051995 19H 1pz 0.146067 0.076857 -0.104122 -0.107132 0.108950 0.149389 19H 1px 0.123741 -0.066136 -0.096781 -0.114937 0.027118 0.008714 19H 1py -0.025749 -0.098111 0.014205 0.006647 0.016583 0.141713 20H 1s -0.009284 -0.003341 -0.009559 0.010581 0.011178 -0.002482 20H 2s -0.041339 0.009828 -0.076593 0.067950 0.041831 0.004146 20H 3s 0.027484 0.015200 0.022364 -0.040630 -0.008167 0.045268 20H 1pz -0.001164 0.002774 -0.002807 0.001644 0.015456 0.001245 20H 1px 0.003645 0.001045 0.007721 -0.009404 0.006413 0.001920 20H 1py -0.021762 -0.002131 -0.030065 0.027127 0.006537 -0.005263 21H 1s 0.014262 0.005205 0.016887 -0.013815 -0.020313 -0.005095 21H 2s 0.057582 0.019339 0.070201 -0.059374 -0.058232 0.004013 21H 3s -0.005190 0.025357 -0.017564 0.025532 0.018014 0.058488 21H 1pz -0.012846 -0.001684 -0.021954 0.021124 0.004962 0.005023 21H 1px -0.017797 -0.005233 -0.021535 0.018049 0.016244 0.004250 21H 1py -0.003701 -0.005851 0.005423 -0.005970 0.016799 -0.005797 22H 1s 0.000441 -0.010972 0.012753 -0.011508 0.009726 -0.007932 22H 2s 0.022745 0.019878 0.029624 -0.062390 0.025563 0.002346 22H 3s 0.008949 -0.001463 -0.016601 0.011211 -0.010719 0.077378 22H 1pz -0.007462 -0.004984 -0.011058 0.016480 0.002537 0.004309 22H 1px 0.001952 -0.003039 0.007345 -0.011005 0.014138 -0.002368 22H 1py 0.004687 0.007499 0.004759 -0.011091 0.003166 -0.003941 23H 1s 0.002463 -0.002691 0.014628 -0.012362 0.025729 -0.002470 23H 2s 0.014496 0.002958 0.074184 -0.051395 0.082271 0.005353 23H 3s 0.003060 -0.006054 -0.000811 0.039069 -0.030948 0.045112 23H 1pz -0.011433 -0.002671 -0.006046 0.007213 0.016374 0.002904 23H 1px 0.000605 0.000652 -0.007190 0.005202 -0.008667 0.001066 23H 1py -0.013643 -0.001764 -0.030622 0.024063 -0.025564 0.002299 24H 1s -0.003404 -0.000292 -0.013086 0.008239 -0.017958 -0.003879 24H 2s -0.010958 0.010326 -0.058540 0.078157 -0.065935 -0.009433 24H 3s 0.015009 0.013641 0.038852 -0.014860 0.013657 0.049707 24H 1pz 0.003776 -0.002224 0.026473 -0.026874 0.012539 0.009529 24H 1px 0.003831 -0.001158 0.012399 -0.014157 0.010820 0.004538 24H 1py 0.003227 0.003725 0.002551 0.000337 -0.017694 0.002137 25H 1s 0.011918 -0.004336 0.000994 -0.014934 -0.002096 -0.002019 25H 2s 0.045723 0.028508 0.043937 -0.009339 0.004365 0.008915 25H 3s -0.020526 0.002796 -0.006494 0.009662 0.000346 0.062352 25H 1pz -0.010415 -0.007864 -0.012613 0.000682 -0.000221 0.003903 25H 1px 0.013309 0.002281 0.008000 -0.008049 0.000331 0.000409 25H 1py -0.001787 -0.003010 -0.007402 -0.000447 -0.012151 0.002799 26O 1s -0.000106 -0.000512 -0.000475 -0.000635 0.000435 -0.002375 26O 2s 0.000458 -0.002509 -0.001751 -0.002476 0.001838 -0.009179 26O 3s -0.026584 0.044164 0.020071 0.031597 -0.033530 0.135766 26O 4s 0.103330 -0.119647 -0.036024 -0.058478 0.111428 -0.352575 26O 5s 0.145030 0.044648 0.092640 0.131590 0.121787 0.012307 26O 1pz -0.004474 -0.007947 0.009231 -0.014379 0.016243 0.003410 26O 1px 0.004126 -0.012982 0.001470 -0.016513 0.016972 -0.032112 26O 1py 0.015195 -0.013366 -0.024464 0.011539 -0.022716 -0.011219 26O 2pz 0.017832 0.008986 -0.044492 0.031550 -0.060714 -0.012914 26O 2px -0.083813 0.064984 -0.028117 0.038949 -0.103942 0.185647 26O 2py -0.089145 0.051373 0.072143 -0.065244 0.055454 0.069560 26O 3pz 0.049537 0.097642 0.159699 0.131263 -0.038790 0.058298 26O 3px 0.024794 0.079323 0.086485 0.058776 -0.080558 0.041588 26O 3py -0.001666 0.199213 0.010105 0.149158 0.052126 0.069432 26O 1dz2 0.036804 0.050395 -0.246409 0.171515 0.312602 -0.052094 26O 1dxz 0.002583 0.077222 0.003084 0.124774 0.014108 0.011437 26O 1dyz 0.002422 -0.036770 0.144769 -0.115960 -0.211184 -0.060572 26O 1dx2y2 0.050644 -0.038796 -0.143680 0.033146 0.069380 -0.016824 26O 1dxy 0.017820 0.031941 -0.074267 0.069439 0.201591 -0.026297 26O 2dz2 -0.049868 -0.006625 0.171720 -0.109168 -0.217031 0.080271 26O 2dxz -0.022485 -0.029602 0.028161 -0.094039 0.029959 -0.024818 26O 2dyz -0.003968 0.032390 -0.090237 0.075192 0.156124 0.028367 26O 2dx2y2 -0.036661 0.007758 0.118167 -0.071619 0.005403 -0.035472 26O 2dxy 0.045430 -0.059618 0.016935 -0.020406 -0.155211 -0.052032 26O 1f0 -0.022574 0.008886 0.007251 -0.017929 0.034553 -0.034645 26O 1f+1 0.038630 -0.017766 -0.063122 0.040661 0.028395 -0.055385 26O 1f-1 0.027990 -0.014270 -0.034978 0.039834 -0.024251 -0.027255 26O 1f+2 0.048402 -0.017937 -0.066170 0.055476 -0.048105 0.032095 26O 1f-2 0.009082 0.000534 0.023378 0.003779 -0.054816 0.032311 26O 1f+3 -0.075021 0.034725 0.078068 -0.087318 0.097619 0.011543 26O 1f-3 0.015654 -0.043631 0.009233 -0.027480 -0.055116 -0.081105 27O 1s 0.000784 -0.000404 0.000508 0.000684 0.000184 -0.002618 27O 2s 0.002359 -0.001096 0.001829 0.002698 0.000272 -0.009878 27O 3s -0.022486 0.000378 -0.024419 -0.042164 0.004665 0.141807 27O 4s 0.056984 0.033931 0.046022 0.117820 -0.030222 -0.369750 27O 5s -0.005191 0.173408 -0.040925 0.051856 0.017218 0.065289 27O 1pz -0.000884 -0.000381 -0.017950 0.019764 0.027685 0.007934 27O 1px -0.000721 0.008382 0.001461 0.014503 0.003324 -0.030098 27O 1py 0.003516 -0.003725 -0.014182 0.011452 0.024602 0.000716 27O 2pz -0.008294 -0.009146 0.067824 -0.072929 -0.101345 -0.040562 27O 2px 0.003081 -0.105285 -0.002259 -0.087561 0.009527 0.168845 27O 2py -0.009554 0.043159 0.041878 -0.040070 -0.089658 -0.002584 27O 3pz -0.004224 0.046058 -0.137602 -0.023984 -0.046058 0.096506 27O 3px -0.088611 0.115034 -0.089379 -0.080850 -0.028307 0.102887 27O 3py 0.032177 -0.224743 0.027103 0.054789 -0.041905 -0.131234 27O 1dz2 -0.237157 0.099977 0.232653 -0.186247 0.269596 0.012934 27O 1dxz 0.018461 0.078204 0.001444 -0.048557 -0.060835 0.045656 27O 1dyz 0.112462 0.018090 -0.123810 0.063182 -0.060998 0.140304 27O 1dx2y2 -0.126121 0.017415 0.147465 -0.092547 0.104165 -0.005304 27O 1dxy 0.054607 -0.105200 -0.017348 0.038947 -0.111710 -0.009751 27O 2dz2 0.154289 -0.080546 -0.161471 0.103386 -0.180243 0.037029 27O 2dxz 0.004820 -0.035571 -0.035996 0.078528 0.109196 -0.024126 27O 2dyz -0.077425 -0.006632 0.089934 -0.055884 0.022903 -0.091342 27O 2dx2y2 0.087043 0.012545 -0.094043 0.109913 -0.057873 -0.061617 27O 2dxy -0.026943 0.050688 -0.010135 0.003205 0.121376 0.043175 27O 1f0 0.018218 0.010433 -0.036494 0.067789 0.078320 -0.014553 27O 1f+1 -0.041642 0.026292 0.061512 -0.025586 0.031831 -0.059583 27O 1f-1 0.003000 -0.005525 -0.024853 0.024864 0.035345 0.015078 27O 1f+2 -0.012980 -0.027755 0.032622 -0.060076 -0.095462 0.008219 27O 1f-2 0.027575 -0.011149 -0.039893 0.061094 0.053414 0.011734 27O 1f+3 0.049207 0.013557 -0.054726 0.097905 0.054114 -0.036899 27O 1f-3 -0.015269 -0.010039 -0.010440 0.015364 0.077381 0.073187 28O 1s -0.000861 0.000083 0.000475 0.000565 -0.000326 -0.002792 28O 2s -0.002221 -0.000067 0.001770 0.001985 -0.001158 -0.010548 28O 3s 0.012566 0.015800 -0.023285 -0.024088 0.014896 0.153330 28O 4s -0.016744 -0.082568 0.044365 0.055112 -0.036531 -0.413480 28O 5s 0.037673 -0.181662 -0.017347 -0.016910 -0.085822 0.066137 28O 1pz 0.010976 -0.008064 0.012958 -0.012685 -0.019221 -0.017261 28O 1px -0.003315 0.006334 0.007513 -0.006479 -0.007778 0.029499 28O 1py 0.003676 -0.002398 -0.021890 0.016010 0.032914 0.001600 28O 2pz -0.050320 0.097906 -0.034613 0.060173 0.077989 0.106711 28O 2px 0.038076 -0.079126 -0.029088 0.019869 0.020617 -0.176867 28O 2py -0.017307 0.020426 0.089779 -0.049238 -0.114964 -0.005545 28O 3pz 0.096709 -0.083985 -0.140441 -0.221351 0.044681 0.128530 28O 3px -0.055476 0.008404 0.047987 0.023546 -0.020741 -0.013523 28O 3py 0.040761 -0.165907 -0.116324 -0.029004 -0.049786 0.044972 28O 1dz2 0.131739 -0.099364 -0.207670 0.101832 -0.104648 -0.029427 28O 1dxz 0.126057 -0.020287 -0.115135 0.110362 -0.150556 -0.034280 28O 1dyz -0.038700 0.027301 0.089053 -0.054463 0.017407 -0.088124 28O 1dx2y2 0.175852 -0.006826 -0.127066 0.207589 -0.193101 -0.067068 28O 1dxy -0.060633 0.091317 0.091065 0.027932 0.138322 -0.059122 28O 2dz2 -0.092931 0.042602 0.168407 -0.098246 0.016378 0.003742 28O 2dxz -0.097683 0.052607 0.058779 -0.068280 0.122800 0.106936 28O 2dyz 0.029050 -0.011575 -0.087200 0.053798 0.023898 0.043979 28O 2dx2y2 -0.101037 -0.004080 0.086712 -0.123387 0.142367 -0.000562 28O 2dxy 0.032644 -0.060379 -0.017212 -0.034678 -0.147634 0.050743 28O 1f0 0.049218 0.003214 -0.099139 0.077893 0.056960 -0.021990 28O 1f+1 -0.000604 -0.045354 0.046826 -0.035514 -0.092931 -0.082199 28O 1f-1 -0.010324 -0.011598 0.020734 -0.025121 -0.015449 0.011393 28O 1f+2 -0.007542 0.017078 -0.017475 0.013220 0.024026 0.063635 28O 1f-2 0.001794 0.014578 -0.068066 0.035026 0.103736 -0.025886 28O 1f+3 0.030433 -0.009192 -0.051562 0.031617 -0.019702 0.007962 28O 1f-3 -0.009426 0.014088 -0.024787 0.002444 0.083871 -0.032519 29O 1s -0.002020 0.000438 -0.001745 -0.001885 -0.001734 0.003187 29O 2s -0.007771 0.001826 -0.006496 -0.006995 -0.006609 0.011140 29O 3s 0.123665 -0.031371 0.099494 0.106700 0.109190 -0.176047 29O 4s -0.286041 0.075124 -0.233153 -0.249797 -0.235757 0.334480 29O 5s -0.149714 0.051310 -0.062303 -0.063730 -0.225975 0.463111 29O 1pz -0.015260 -0.010041 -0.012276 -0.014716 -0.007200 0.010308 29O 1px 0.024109 -0.012536 0.016868 0.016770 0.015787 -0.020898 29O 1py -0.036410 0.014179 -0.029197 -0.030799 -0.026951 0.038682 29O 2pz 0.079945 0.020981 0.060923 0.069359 0.047510 -0.092468 29O 2px -0.128621 0.052944 -0.091609 -0.093893 -0.111933 0.205764 29O 2py 0.192749 -0.067826 0.148971 0.157621 0.154246 -0.226287 29O 3pz 0.007169 -0.180094 -0.010479 -0.035000 -0.015296 0.061759 29O 3px -0.053959 -0.039748 -0.055917 -0.067948 0.040407 -0.227703 29O 3py 0.027685 0.013256 -0.009061 -0.009466 0.054327 -0.014095 29O 1dz2 -0.221736 0.364501 -0.144042 -0.119281 -0.109337 0.026653 29O 1dxz -0.290664 -0.393512 -0.252015 -0.322893 -0.122308 0.233779 29O 1dyz 0.199228 -0.504685 0.123200 0.081593 0.057683 0.028554 29O 1dx2y2 -0.124434 -0.152073 -0.098213 -0.125687 0.044553 -0.655360 29O 1dxy -0.553265 0.104352 -0.428868 -0.462428 -0.118547 -0.039996 29O 2dz2 0.137582 -0.255031 0.088586 0.070328 0.040944 0.074979 29O 2dxz 0.192911 0.275655 0.168471 0.217880 0.056530 -0.092587 29O 2dyz -0.154454 0.352951 -0.097016 -0.069044 -0.047985 -0.007168 29O 2dx2y2 0.098548 0.103841 0.077643 0.097495 -0.021383 0.440317 29O 2dxy 0.418186 -0.082781 0.323871 0.348945 0.130095 -0.048205 29O 1f0 0.030802 0.036648 0.028759 0.034333 0.057038 -0.162671 29O 1f+1 -0.016515 -0.077010 -0.018905 -0.029989 -0.025927 0.085020 29O 1f-1 0.026286 0.015290 0.020791 0.025295 0.046147 -0.095234 29O 1f+2 -0.032694 0.119558 -0.018268 -0.007650 -0.038336 0.097370 29O 1f-2 -0.023326 -0.048619 -0.018758 -0.027002 0.025144 -0.052522 29O 1f+3 -0.098782 -0.018388 -0.074316 -0.084084 -0.042462 0.039704 29O 1f-3 -0.029898 0.049653 -0.020583 -0.016491 -0.031017 0.092059 30O 1s 0.000559 0.001052 -0.000202 -0.000143 -0.000212 -0.002344 30O 2s 0.001305 0.004531 -0.000625 -0.000159 -0.001287 -0.008934 30O 3s -0.003032 -0.071748 0.003847 -0.008382 0.028234 0.132350 30O 4s -0.005281 0.184011 0.000752 0.052330 -0.095763 -0.359057 30O 5s -0.094085 -0.053301 0.018987 0.090656 -0.056147 0.001626 30O 1pz 0.007304 0.010275 -0.019473 0.022973 -0.030138 -0.010299 30O 1px 0.004852 -0.012053 -0.004653 0.001382 -0.001282 0.025557 30O 1py 0.016151 -0.018664 -0.014415 0.007422 -0.015243 0.008715 30O 2pz -0.020216 -0.034785 0.061902 -0.106381 0.122294 0.078418 30O 2px -0.047982 0.077129 0.032944 0.025006 -0.028936 -0.157764 30O 2py -0.074420 0.063985 0.067120 0.007072 0.032519 -0.076838 30O 3pz -0.060560 -0.128042 0.042197 0.149077 0.085387 0.031619 30O 3px -0.003314 0.029278 -0.008758 0.045658 -0.019167 -0.018192 30O 3py 0.022319 0.283583 -0.079887 0.002647 0.018363 -0.039962 30O 1dz2 -0.046419 -0.070302 0.154160 -0.147949 -0.124666 0.012695 30O 1dxz -0.025723 -0.033651 0.114683 -0.173539 -0.282888 -0.024238 30O 1dyz 0.035105 -0.002692 -0.089651 0.118677 0.144634 0.081013 30O 1dx2y2 -0.051613 0.095940 0.080688 -0.186203 -0.176063 0.008983 30O 1dxy -0.008392 -0.042330 0.059118 -0.051094 -0.156056 0.020430 30O 2dz2 0.075700 0.013439 -0.145087 0.121874 0.040711 0.005493 30O 2dxz 0.004253 -0.005008 -0.052270 0.088156 0.240482 0.066253 30O 2dyz -0.025778 -0.010946 0.068867 -0.095566 -0.073735 -0.006928 30O 2dx2y2 0.035281 -0.035562 -0.063523 0.128440 0.101431 -0.012205 30O 2dxy -0.033874 0.072704 -0.005138 0.035550 0.118731 -0.072013 30O 1f0 -0.044516 0.040619 0.050796 -0.047105 -0.013964 -0.039042 30O 1f+1 0.064261 -0.024827 -0.060049 0.023605 -0.105847 -0.023322 30O 1f-1 0.079647 -0.019838 -0.096824 0.069521 -0.065878 -0.005923 30O 1f+2 -0.010168 0.010045 -0.001661 0.014825 0.063342 -0.000707 30O 1f-2 -0.016309 -0.028116 0.013595 -0.019578 0.016079 0.070868 30O 1f+3 -0.043092 0.025345 0.059291 -0.029310 0.027667 -0.053548 30O 1f-3 0.000230 -0.025458 0.015897 -0.040713 -0.038970 0.038277 31O 1s -0.000596 0.001018 -0.000172 -0.000128 0.000237 -0.002279 31O 2s -0.001473 0.004421 -0.000530 -0.000123 0.001387 -0.008631 31O 3s 0.005808 -0.070322 0.002745 -0.008587 -0.029754 0.126408 31O 4s -0.001860 0.179763 0.003985 0.052458 0.099630 -0.338280 31O 5s 0.101340 -0.057410 0.019444 0.090646 0.059365 0.007736 31O 1pz 0.008089 -0.010074 0.019823 -0.022517 -0.030157 0.009446 31O 1px 0.004089 0.012095 0.004768 -0.001335 -0.001056 -0.025081 31O 1py 0.015221 0.019327 0.014392 -0.007442 -0.014947 -0.008217 31O 2pz -0.023277 0.033375 -0.062830 0.104517 0.122557 -0.071245 31O 2px -0.043843 -0.076303 -0.033861 -0.024997 -0.030554 0.149878 31O 2py -0.070793 -0.065420 -0.067491 -0.006778 0.031280 0.071140 31O 3pz -0.060121 0.123596 -0.041633 -0.149266 0.088726 -0.027442 31O 3px -0.004945 -0.026787 0.007936 -0.045665 -0.020695 0.012760 31O 3py 0.025242 -0.281275 0.078554 -0.003458 0.011750 0.031525 31O 1dz2 0.047729 -0.075646 0.154158 -0.148414 0.123256 0.008764 31O 1dxz 0.027024 -0.042547 0.113757 -0.175250 0.282661 -0.029070 31O 1dyz -0.035487 0.002654 -0.089984 0.119224 -0.145642 0.080809 31O 1dx2y2 0.051369 0.089857 0.080823 -0.186672 0.178927 0.006569 31O 1dxy 0.008803 -0.047492 0.058910 -0.051654 0.154706 0.019389 31O 2dz2 -0.075665 0.016209 -0.145707 0.121499 -0.040388 0.008148 31O 2dxz -0.003615 0.001641 -0.051376 0.089997 -0.240732 0.066085 31O 2dyz 0.026747 -0.013923 0.069042 -0.095653 0.074058 -0.009509 31O 2dx2y2 -0.036067 -0.031776 -0.063758 0.128535 -0.102925 -0.009766 31O 2dxy 0.031599 0.076347 -0.004589 0.036055 -0.116948 -0.068253 31O 1f0 -0.042919 -0.039944 -0.051075 0.046956 -0.014613 0.039110 31O 1f+1 0.064034 0.026945 0.061060 -0.022157 -0.105300 0.021837 31O 1f-1 0.079526 0.020513 0.097803 -0.068422 -0.065287 0.004442 31O 1f+2 -0.009939 -0.011704 0.001308 -0.015565 0.062934 0.000522 31O 1f-2 -0.018475 0.028143 -0.013859 0.019061 0.016382 -0.068390 31O 1f+3 -0.041808 -0.025508 -0.059965 0.028856 0.026992 0.052702 31O 1f-3 -0.001241 0.027086 -0.015960 0.040603 -0.038592 -0.036430 32O 1s 0.002016 0.000430 -0.001743 -0.001877 0.001706 0.003221 32O 2s 0.007778 0.001860 -0.006509 -0.006984 0.006521 0.011263 32O 3s -0.123971 -0.032598 0.099871 0.106760 -0.107935 -0.178160 32O 4s 0.287091 0.079046 -0.234108 -0.249937 0.233225 0.338090 32O 5s 0.149256 0.054486 -0.063088 -0.065325 0.224110 0.472006 32O 1pz -0.014750 0.010288 0.011582 0.013942 -0.005771 -0.009370 32O 1px 0.024226 0.013168 -0.017128 -0.016960 0.016101 0.021495 32O 1py -0.036507 -0.014569 0.029385 0.030949 -0.026773 -0.039310 32O 2pz 0.077213 -0.021465 -0.057489 -0.065536 0.039626 0.086492 32O 2px -0.129803 -0.055838 0.093305 0.095394 -0.113360 -0.210712 32O 2py 0.193543 0.070877 -0.150049 -0.158460 0.153193 0.229816 32O 3pz 0.002536 0.183055 0.011439 0.036398 -0.012629 -0.066474 32O 3px -0.055343 0.036022 0.055574 0.067084 0.040805 0.230600 32O 3py 0.027725 -0.008648 0.009451 0.009737 0.053903 0.016323 32O 1dz2 0.222118 0.392783 -0.149162 -0.121992 0.118009 0.023962 32O 1dxz 0.293424 -0.394490 -0.245075 -0.315423 0.107222 0.238724 32O 1dyz -0.168217 -0.508516 0.108553 0.064588 -0.061167 0.023319 32O 1dx2y2 0.124093 -0.136733 -0.093048 -0.119056 -0.048027 -0.660397 32O 1dxy 0.563039 0.112647 -0.435246 -0.468140 0.116850 -0.047808 32O 2dz2 -0.137729 -0.274940 0.092205 0.072315 -0.048123 0.078040 32O 2dxz -0.194349 0.276248 0.162994 0.211972 -0.044858 -0.094024 32O 2dyz 0.133843 0.355829 -0.087078 -0.057436 0.050452 -0.000706 32O 2dx2y2 -0.098429 0.092936 0.074024 0.092828 0.024578 0.444326 32O 2dxy -0.425087 -0.088940 0.328645 0.353286 -0.128478 -0.042771 32O 1f0 0.030935 -0.035998 -0.028054 -0.033232 0.052520 0.158452 32O 1f+1 -0.019099 0.076330 0.019551 0.030386 -0.026245 -0.091834 32O 1f-1 0.027778 -0.021649 -0.021951 -0.027023 0.046208 0.101824 32O 1f+2 -0.029829 -0.123474 0.018345 0.007122 -0.042489 -0.103349 32O 1f-2 -0.023365 0.048551 0.017536 0.025697 0.026639 0.049461 32O 1f+3 -0.100294 0.018169 0.074546 0.084498 -0.039949 -0.037616 32O 1f-3 -0.030168 -0.046222 0.021894 0.018202 -0.031596 -0.090634 33O 1s 0.000894 0.000094 0.000471 0.000563 0.000352 -0.002765 33O 2s 0.002359 -0.000005 0.001757 0.001962 0.001237 -0.010416 33O 3s -0.014924 0.014137 -0.023076 -0.023404 -0.015539 0.150814 33O 4s 0.023587 -0.076105 0.044193 0.051993 0.036433 -0.405559 33O 5s -0.038523 -0.174103 -0.019198 -0.019713 0.076975 0.067726 33O 1pz 0.010089 0.008380 -0.012947 0.012813 -0.019094 0.016175 33O 1px -0.002601 -0.006099 -0.007459 0.006491 -0.007790 -0.029235 33O 1py 0.003526 0.001985 0.021629 -0.016324 0.032924 -0.001203 33O 2pz -0.045174 -0.096218 0.034637 -0.061893 0.075445 -0.101280 33O 2px 0.033587 0.075043 0.029242 -0.018572 0.022167 0.174069 33O 2py -0.016462 -0.018801 -0.088602 0.050150 -0.115608 0.003827 33O 3pz 0.094620 0.084616 0.139847 0.222098 0.049774 -0.126526 33O 3px -0.054888 -0.011008 -0.048614 -0.023766 -0.019992 0.009950 33O 3py 0.038411 0.167074 0.116797 0.030065 -0.044339 -0.039129 33O 1dz2 -0.130262 -0.105702 -0.207752 0.101674 0.102982 -0.035592 33O 1dxz -0.125853 -0.028188 -0.115200 0.109910 0.150988 -0.038917 33O 1dyz 0.038089 0.030376 0.088442 -0.055213 -0.016313 -0.085133 33O 1dx2y2 -0.175977 -0.014949 -0.127837 0.205857 0.194599 -0.073746 33O 1dxy 0.058796 0.096456 0.091131 0.028166 -0.135313 -0.055347 33O 2dz2 0.092575 0.046317 0.168075 -0.098858 -0.015763 0.009461 33O 2dxz 0.095211 0.056363 0.058867 -0.067281 -0.122779 0.107793 33O 2dyz -0.028765 -0.013012 -0.086415 0.054342 -0.024482 0.041544 33O 2dx2y2 0.102246 0.002461 0.087307 -0.122398 -0.143031 0.004730 33O 2dxy -0.031625 -0.064538 -0.017824 -0.035272 0.145761 0.048722 33O 1f0 0.048947 -0.002822 0.098140 -0.078708 0.056443 0.024353 33O 1f+1 -0.003132 0.046844 -0.046621 0.036522 -0.092821 0.079439 33O 1f-1 -0.010140 0.011195 -0.020306 0.025160 -0.014671 -0.011960 33O 1f+2 -0.005773 -0.017309 0.017836 -0.013390 0.024567 -0.062331 33O 1f-2 0.001426 -0.015722 0.066885 -0.035924 0.103181 0.026544 33O 1f+3 0.030829 0.010820 0.051710 -0.031621 -0.019023 -0.006268 33O 1f-3 -0.009743 -0.016039 0.024065 -0.002921 0.083633 0.032017 34O 1s -0.000811 -0.000415 0.000507 0.000666 -0.000200 -0.002577 34O 2s -0.002479 -0.001121 0.001816 0.002626 -0.000311 -0.009682 34O 3s 0.024471 0.000438 -0.023874 -0.040768 -0.004625 0.137995 34O 4s -0.061758 0.034259 0.043523 0.112631 0.031365 -0.356524 34O 5s 0.010300 0.175371 -0.045822 0.046817 -0.009410 0.058317 34O 1pz -0.000811 -0.000344 0.017776 -0.019954 0.027587 -0.008498 34O 1px 0.000498 -0.008586 -0.001589 -0.014563 0.003160 0.029149 34O 1py 0.003097 0.003169 0.014230 -0.011428 0.024613 -0.000250 34O 2pz -0.008503 0.011696 -0.067130 0.073709 -0.100803 0.042210 34O 2px -0.002467 0.106759 0.000694 0.084945 0.012288 -0.161318 34O 2py -0.007998 -0.040987 -0.041768 0.040574 -0.090536 0.000671 34O 3pz -0.004855 -0.044893 0.138174 0.024466 -0.047484 -0.095582 34O 3px -0.084869 -0.116471 0.088687 0.079066 -0.028921 -0.100512 34O 3py 0.029347 0.226888 -0.027173 -0.054238 -0.036868 0.125358 34O 1dz2 0.234579 0.105306 0.237252 -0.181580 -0.268987 0.006483 34O 1dxz -0.019423 0.076286 0.001519 -0.048493 0.062198 0.044206 34O 1dyz -0.112339 0.015849 -0.124354 0.062729 0.061972 0.139503 34O 1dx2y2 0.125557 0.020104 0.148672 -0.091520 -0.104474 -0.007640 34O 1dxy -0.052959 -0.107526 -0.018412 0.038070 0.109551 -0.007724 34O 2dz2 -0.151502 -0.084289 -0.164136 0.100824 0.179394 0.039736 34O 2dxz -0.004271 -0.032288 -0.035901 0.078846 -0.109640 -0.022806 34O 2dyz 0.077136 -0.005826 0.090385 -0.055581 -0.023465 -0.090644 34O 2dx2y2 -0.088704 0.011673 -0.095299 0.108487 0.058669 -0.056872 34O 2dxy 0.026397 0.053496 -0.009217 0.004306 -0.120345 0.041134 34O 1f0 0.018790 -0.013120 0.036584 -0.068125 0.077910 0.013677 34O 1f+1 -0.039428 -0.026620 -0.062382 0.024648 0.031635 0.059178 34O 1f-1 0.002507 0.004412 0.024890 -0.024873 0.035275 -0.014836 34O 1f+2 -0.013633 0.030551 -0.032305 0.060516 -0.094637 -0.007049 34O 1f-2 0.027572 0.009335 0.040001 -0.061316 0.053566 -0.011847 34O 1f+3 0.050864 -0.015420 0.054766 -0.097873 0.053622 0.034311 34O 1f-3 -0.016994 0.007751 0.010395 -0.015712 0.077398 -0.071307 35O 1s 0.000124 -0.000520 -0.000450 -0.000612 -0.000433 -0.002369 35O 2s -0.000353 -0.002510 -0.001662 -0.002409 -0.001825 -0.009127 35O 3s 0.024603 0.043479 0.018777 0.030911 0.033109 0.134241 35O 4s -0.097669 -0.116902 -0.031544 -0.056898 -0.108785 -0.346185 35O 5s -0.152569 0.049963 0.094858 0.133544 -0.119784 0.010843 35O 1pz -0.005046 0.007266 -0.009132 0.014522 0.016272 -0.003987 35O 1px 0.003215 0.012390 -0.001515 0.016605 0.016845 0.031796 35O 1py 0.014556 0.014018 0.024651 -0.011219 -0.022549 0.011582 35O 2pz 0.019353 -0.006267 0.044556 -0.032220 -0.059935 0.015087 35O 2px -0.079453 -0.060792 0.029690 -0.039065 -0.101550 -0.181420 35O 2py -0.086692 -0.052900 -0.071899 0.064262 0.056023 -0.070159 35O 3pz 0.051399 -0.096910 -0.159328 -0.129766 -0.043500 -0.059849 35O 3px 0.024781 -0.077215 -0.084700 -0.056573 -0.082462 -0.042410 35O 3py 0.001333 -0.200371 -0.009649 -0.148570 0.047012 -0.064660 35O 1dz2 -0.038420 0.055072 -0.243627 0.175202 -0.313271 -0.061232 35O 1dxz -0.003666 0.076628 0.003369 0.125045 -0.011032 0.009826 35O 1dyz -0.001914 -0.038813 0.142818 -0.117974 0.210052 -0.054584 35O 1dx2y2 -0.050188 -0.038361 -0.142395 0.034392 -0.071366 -0.018567 35O 1dxy -0.018429 0.035436 -0.072324 0.071692 -0.200997 -0.029176 35O 2dz2 0.049579 -0.010191 0.169679 -0.111418 0.217342 0.085738 35O 2dxz 0.023028 -0.027608 0.028301 -0.094113 -0.031202 -0.022903 35O 2dyz 0.003392 0.034137 -0.088650 0.076623 -0.155107 0.024335 35O 2dx2y2 0.037857 0.010003 0.117651 -0.072457 -0.003851 -0.032154 35O 2dxy -0.043586 -0.062575 0.016097 -0.022060 0.154866 -0.049993 35O 1f0 -0.023076 -0.010263 -0.007485 0.017867 0.034184 0.034003 35O 1f+1 0.037433 0.017522 0.062588 -0.040685 0.028501 0.056861 35O 1f-1 0.027542 0.015475 0.034860 -0.039770 -0.024283 0.028048 35O 1f+2 0.048709 0.020587 0.066186 -0.055416 -0.047317 -0.030198 35O 1f-2 0.009787 0.000438 -0.022738 -0.003477 -0.054856 -0.032935 35O 1f+3 -0.075021 -0.039198 -0.078165 0.087245 0.096958 -0.013749 35O 1f-3 0.013250 0.044287 -0.009012 0.028531 -0.054697 0.080073 696 697 698 699 700 701 6.49767 6.50383 6.50918 6.51449 6.55178 6.56454 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s 0.000780 -0.000345 0.000534 0.001708 0.000125 0.000018 0Rh 2s -0.005087 0.002326 -0.003580 -0.011323 -0.000852 -0.000490 0Rh 3s 0.001755 -0.000731 0.001144 0.003735 0.000259 -0.000177 0Rh 4s 0.033489 -0.015230 0.023482 0.074417 0.005570 0.002932 0Rh 5s -0.095022 0.043116 -0.066622 -0.211354 -0.015640 -0.008870 0Rh 6s 0.118050 -0.053568 0.083097 0.263627 0.018213 0.014742 0Rh 7s -0.131801 0.082189 -0.109826 -0.319137 -0.021216 -0.015872 0Rh 8s -0.069418 0.057834 -0.080876 -0.255574 -0.001464 -0.077679 0Rh 1pz -0.001139 0.003576 0.000177 0.006459 -0.000020 -0.001087 0Rh 1px -0.004525 0.004229 -0.004588 -0.010771 -0.003973 -0.010280 0Rh 1py 0.005070 0.004429 -0.001439 -0.002913 0.000219 0.043458 0Rh 2pz 0.004884 -0.015088 -0.000678 -0.026959 0.000081 0.004597 0Rh 2px 0.018803 -0.017667 0.019108 0.044719 0.016744 0.043372 0Rh 2py -0.021387 -0.018652 0.006029 0.012177 -0.000923 -0.183467 0Rh 3pz -0.018436 0.051480 0.001155 0.086197 -0.000190 -0.016082 0Rh 3px -0.058268 0.056941 -0.060255 -0.138120 -0.057273 -0.149376 0Rh 3py 0.073020 0.063320 -0.019678 -0.039301 0.003181 0.634248 0Rh 4pz 0.030419 -0.066897 -0.000961 -0.098254 -0.000010 0.023964 0Rh 4px 0.059670 -0.067416 0.067017 0.144912 0.080468 0.214050 0Rh 4py -0.096117 -0.085432 0.022634 0.045714 -0.004707 -0.915189 0Rh 5pz -0.021691 0.002526 0.018035 -0.000925 0.000445 -0.018774 0Rh 5px 0.019462 0.011609 -0.003413 0.004460 -0.050701 -0.148720 0Rh 5py 0.013757 0.036398 0.006157 -0.001175 0.004451 0.643143 0Rh 6pz -0.073711 0.626950 -0.403275 0.513350 -0.006703 0.013383 0Rh 6px -0.435185 0.170203 -0.173392 -0.242962 -0.010363 0.045660 0Rh 6py 0.724813 0.238475 -0.229904 -0.245902 -0.017856 -0.174178 0Rh 1dz2 -0.001714 0.003863 -0.003763 -0.002011 0.007534 0.000070 0Rh 1dxz -0.001780 -0.002120 0.000545 -0.009662 0.002555 -0.000252 0Rh 1dyz -0.000799 0.002763 -0.002404 -0.002416 -0.003824 -0.001346 0Rh 1dx2y2 0.008152 -0.003341 0.004745 0.012890 0.006638 -0.001397 0Rh 1dxy -0.001315 -0.002141 0.003648 0.008658 0.001043 0.005156 0Rh 2dz2 0.000147 -0.001735 0.000493 -0.000496 -0.001210 -0.000094 0Rh 2dxz -0.000120 0.001277 -0.000860 0.001830 -0.000383 0.000069 0Rh 2dyz 0.000238 -0.002236 -0.000558 0.000845 0.000571 -0.000347 0Rh 2dx2y2 -0.001995 0.000506 -0.001097 -0.002090 -0.001083 -0.000311 0Rh 2dxy 0.000874 0.000266 -0.001729 -0.002577 -0.000135 0.000209 0Rh 3dz2 0.008998 -0.012877 0.019010 0.013999 -0.037052 0.000061 0Rh 3dxz 0.010798 0.005452 0.001329 0.045656 -0.012760 0.001023 0Rh 3dyz 0.003360 -0.003930 0.016957 0.009352 0.018942 0.009489 0Rh 3dx2y2 -0.036124 0.016414 -0.021296 -0.062771 -0.032411 0.009630 0Rh 3dxy 0.002880 0.010897 -0.011735 -0.036156 -0.005291 -0.030443 0Rh 4dz2 -0.025208 0.025145 -0.054052 -0.042120 0.097785 -0.000297 0Rh 4dxz -0.031713 -0.008731 -0.007857 -0.120342 0.034226 -0.001730 0Rh 4dyz -0.008481 -0.005614 -0.057863 -0.020820 -0.049127 -0.027733 0Rh 4dx2y2 0.092406 -0.044269 0.053427 0.168018 0.083857 -0.028500 0Rh 4dxy -0.003194 -0.031333 0.021782 0.090315 0.013950 0.082885 0Rh 5dz2 0.076777 0.012553 0.213175 0.122879 -0.197578 -0.001200 0Rh 5dxz 0.093949 0.001949 0.028688 0.308978 -0.071327 -0.005238 0Rh 5dyz 0.013745 0.192050 0.337660 0.009312 0.089303 0.076363 0Rh 5dx2y2 -0.221409 0.130803 -0.099676 -0.429467 -0.156014 0.083902 0Rh 5dxy 0.005052 0.133793 0.034860 -0.211555 -0.027763 -0.191561 0Rh 1f0 -0.006501 0.014023 0.002802 0.003813 -0.001656 0.008188 0Rh 1f+1 -0.006230 0.008356 -0.020032 0.008610 0.002047 0.001776 0Rh 1f-1 -0.000196 0.008529 0.010459 -0.003460 0.001065 0.008079 0Rh 1f+2 -0.004678 -0.004063 0.013340 -0.005603 0.002212 0.007336 0Rh 1f-2 0.008943 -0.018000 -0.022260 -0.002890 -0.000200 0.002927 0Rh 1f+3 -0.014368 0.002334 0.002502 0.001376 0.000314 0.001874 0Rh 1f-3 0.019720 0.019875 0.003860 -0.008338 0.000379 -0.005779 1Rh 1s -0.000743 0.000313 -0.000517 -0.001716 0.000121 0.000020 1Rh 2s 0.004853 -0.002122 0.003469 0.011374 -0.000829 -0.000495 1Rh 3s -0.001665 0.000658 -0.001105 -0.003754 0.000251 -0.000170 1Rh 4s -0.031944 0.013890 -0.022751 -0.074756 0.005421 0.002971 1Rh 5s 0.090727 -0.039376 0.064572 0.212310 -0.015217 -0.008973 1Rh 6s -0.113203 0.049282 -0.080697 -0.264761 0.017693 0.014815 1Rh 7s 0.125536 -0.077033 0.105998 0.321337 -0.020646 -0.014780 1Rh 8s 0.069079 -0.057797 0.081124 0.255588 -0.000889 -0.076893 1Rh 1pz -0.001369 0.003892 0.000091 0.006684 0.000117 0.001106 1Rh 1px -0.003598 0.003454 -0.004188 -0.010890 0.003946 0.010358 1Rh 1py 0.005176 0.004413 -0.001329 -0.002945 -0.000158 -0.043397 1Rh 2pz 0.005855 -0.016420 -0.000314 -0.027908 -0.000488 -0.004677 1Rh 2px 0.014902 -0.014403 0.017422 0.045219 -0.016632 -0.043698 1Rh 2py -0.021836 -0.018586 0.005566 0.012314 0.000664 0.183213 1Rh 3pz -0.021739 0.056014 -0.000088 0.089435 0.001568 0.016385 1Rh 3px -0.045031 0.045826 -0.054531 -0.139817 0.056918 0.150456 1Rh 3py 0.074547 0.063109 -0.018073 -0.039759 -0.002283 -0.633387 1Rh 4pz 0.035016 -0.073227 0.000778 -0.102811 -0.001843 -0.024480 1Rh 4px 0.041306 -0.051865 0.059077 0.147239 -0.080052 -0.215425 1Rh 4py -0.098246 -0.085166 0.020302 0.046346 0.003413 0.913987 1Rh 5pz -0.024507 0.006476 0.016968 0.001983 0.000384 0.019208 1Rh 5px 0.030566 0.001847 0.001359 0.003193 0.050555 0.149125 1Rh 5py 0.015045 0.036312 0.007851 -0.001564 -0.003561 -0.642291 1Rh 6pz -0.071505 0.628389 -0.403840 0.519667 0.011524 -0.012011 1Rh 6px -0.428880 0.168282 -0.170099 -0.242848 0.011447 -0.040020 1Rh 6py 0.725159 0.235065 -0.233145 -0.247018 0.017248 0.171861 1Rh 1dz2 0.001484 -0.003714 0.003676 0.001968 0.007500 0.000007 1Rh 1dxz 0.001547 0.002299 -0.000663 0.009750 0.002623 -0.000247 1Rh 1dyz 0.000586 -0.002707 0.002389 0.002341 -0.003793 -0.001402 1Rh 1dx2y2 -0.007850 0.003057 -0.004596 -0.012935 0.006626 -0.001384 1Rh 1dxy 0.001399 0.002019 -0.003622 -0.008710 0.001034 0.005108 1Rh 2dz2 -0.000083 0.001696 -0.000465 0.000524 -0.001189 -0.000065 1Rh 2dxz 0.000160 -0.001317 0.000884 -0.001878 -0.000409 0.000061 1Rh 2dyz -0.000155 0.002222 0.000558 -0.000801 0.000561 -0.000312 1Rh 2dx2y2 0.001934 -0.000447 0.001067 0.002084 -0.001084 -0.000306 1Rh 2dxy -0.000886 -0.000237 0.001719 0.002595 -0.000132 0.000237 1Rh 3dz2 -0.008031 0.012242 -0.018666 -0.013893 -0.036964 0.000273 1Rh 3dxz -0.009695 -0.006251 -0.000785 -0.045912 -0.013013 0.001038 1Rh 3dyz -0.002572 0.003686 -0.016870 -0.009149 0.018818 0.009625 1Rh 3dx2y2 0.034748 -0.015122 0.020609 0.063060 -0.032342 0.009535 1Rh 3dxy -0.003281 -0.010359 0.011641 0.036364 -0.005250 -0.030312 1Rh 4dz2 0.022941 -0.023692 0.053281 0.041937 0.097645 -0.000749 1Rh 4dxz 0.029045 0.010599 0.006550 0.120822 0.034816 -0.001814 1Rh 4dyz 0.006663 0.006193 0.057634 0.020449 -0.048812 -0.027898 1Rh 4dx2y2 -0.089164 0.041216 -0.051804 -0.168809 0.083658 -0.028191 1Rh 4dxy 0.004112 0.030080 -0.021613 -0.090798 0.013851 0.082663 1Rh 5dz2 -0.073637 -0.014254 -0.212224 -0.122935 -0.197612 -0.001010 1Rh 5dxz -0.089950 -0.004263 -0.026713 -0.309042 -0.072480 -0.004810 1Rh 5dyz -0.010935 -0.192818 -0.337170 -0.009187 0.088688 0.074888 1Rh 5dx2y2 0.217175 -0.126780 0.097637 0.430946 -0.155395 0.082709 1Rh 5dxy -0.005991 -0.132225 -0.034668 0.212156 -0.027528 -0.191923 1Rh 1f0 -0.006278 0.013821 0.002942 0.003752 0.001688 -0.008135 1Rh 1f+1 -0.006448 0.008499 -0.020083 0.008684 -0.001975 -0.001817 1Rh 1f-1 -0.000206 0.008575 0.010458 -0.003378 -0.001020 -0.007983 1Rh 1f+2 -0.005010 -0.003773 0.013212 -0.005586 -0.002279 -0.007351 1Rh 1f-2 0.008850 -0.017898 -0.022274 -0.002876 0.000181 -0.003097 1Rh 1f+3 -0.014755 0.002632 0.002333 0.001477 -0.000286 -0.001828 1Rh 1f-3 0.019542 0.019969 0.003726 -0.008288 -0.000360 0.005814 2C 1s 0.000348 -0.000128 -0.000885 0.000445 -0.000116 0.000229 2C 2s 0.001005 0.001156 -0.002728 0.000808 -0.000053 0.000584 2C 3s -0.012690 -0.025708 0.055889 0.011467 -0.001187 -0.015712 2C 4s 0.103738 0.193670 -0.275966 -0.059096 -0.003068 0.054817 2C 5s -0.038192 -0.096950 0.610936 -0.115711 -0.097131 -0.268560 2C 1pz 0.004429 -0.009876 0.010364 -0.005131 -0.007341 -0.000198 2C 1px 0.006371 -0.007263 -0.005000 -0.001471 -0.005707 0.007440 2C 1py -0.020834 -0.003203 0.002266 0.007049 0.012980 -0.000295 2C 2pz 0.015178 0.077741 -0.166413 0.026426 0.035944 0.009400 2C 2px -0.046415 0.067148 0.069435 0.016854 0.042388 -0.061084 2C 2py 0.182526 0.044383 -0.055294 -0.066009 -0.106394 0.007528 2C 3pz 0.013262 -0.027191 0.071891 -0.013753 -0.036595 -0.017275 2C 3px -0.025065 -0.007913 0.073098 -0.075229 -0.017819 -0.030007 2C 3py -0.026762 0.009815 0.053153 -0.011176 0.021395 -0.040467 2C 1dz2 0.011548 -0.009774 -0.005297 -0.011044 -0.009260 0.006739 2C 1dxz 0.015722 -0.001312 0.014701 -0.000986 -0.008831 -0.010721 2C 1dyz -0.010006 -0.005210 0.000178 0.000796 0.003707 0.000023 2C 1dx2y2 0.013478 -0.000079 0.001168 -0.003096 -0.007193 -0.000069 2C 1dxy -0.001796 0.002177 0.008794 0.004055 0.004040 -0.006659 2C 2dz2 -0.030567 0.008678 -0.079034 0.025378 0.030982 0.033938 2C 2dxz 0.026986 0.056133 0.045503 -0.012016 -0.000174 -0.054037 2C 2dyz 0.052121 0.013100 -0.051504 -0.009484 -0.022717 0.013994 2C 2dx2y2 -0.056426 -0.006223 0.023438 0.001937 0.028819 0.007538 2C 2dxy -0.029088 0.033384 0.038949 0.015153 0.020750 -0.056338 2C 1f0 -0.007222 -0.012155 -0.029888 -0.004101 0.001351 0.027334 2C 1f+1 0.005697 0.009799 0.018043 0.003844 0.002497 -0.017743 2C 1f-1 0.000168 -0.000237 -0.019142 0.000367 0.001447 0.010170 2C 1f+2 0.002944 0.007328 0.021812 0.003410 0.000225 -0.015703 2C 1f-2 -0.001305 0.020683 0.026809 -0.002746 0.002056 -0.027555 2C 1f+3 0.012083 0.008161 0.016286 -0.002612 -0.004759 -0.015959 2C 1f-3 -0.010019 -0.001706 -0.006705 0.004188 0.001770 0.006580 3C 1s -0.000453 0.000550 0.000440 0.000199 0.000034 -0.000412 3C 2s -0.002338 0.001303 0.000776 0.001103 0.000280 -0.000661 3C 3s 0.032016 -0.027731 -0.009136 -0.026755 -0.014300 0.010710 3C 4s -0.195494 0.152190 0.003191 0.176095 0.092743 -0.017884 3C 5s 0.401751 -0.197860 -0.337474 -0.115184 0.026464 0.263926 3C 1pz -0.001238 -0.019233 0.008944 -0.008079 -0.015128 0.002459 3C 1px 0.002092 0.000318 0.009165 -0.005171 -0.003858 -0.015222 3C 1py -0.013404 -0.004193 0.005376 0.004048 -0.006624 -0.001148 3C 2pz 0.000444 0.192976 -0.064599 0.092695 0.150009 -0.013739 3C 2px -0.008747 -0.019792 -0.095996 0.090256 0.045384 0.144713 3C 2py 0.103940 -0.038924 -0.059168 -0.079298 -0.003853 0.017650 3C 3pz -0.002186 -0.022194 0.003658 0.017822 -0.030940 0.020245 3C 3px 0.028563 -0.035598 -0.070697 -0.058459 -0.004215 0.023922 3C 3py -0.081687 0.008958 0.050622 0.013646 -0.026100 -0.041060 3C 1dz2 -0.007012 -0.007772 0.008555 -0.007534 -0.006854 -0.007139 3C 1dxz 0.000835 -0.011304 0.002311 0.002865 -0.005294 0.010695 3C 1dyz -0.002381 0.005397 -0.011471 0.008601 0.005806 0.010277 3C 1dx2y2 -0.010871 -0.017079 0.004113 0.002998 -0.012305 0.010178 3C 1dxy -0.008543 0.003617 0.008397 -0.010673 -0.005419 -0.017074 3C 2dz2 0.028174 0.070796 -0.020992 0.008665 0.045658 -0.028952 3C 2dxz -0.015687 0.013141 -0.036694 0.025881 0.024952 0.045851 3C 2dyz 0.013293 -0.049796 -0.036278 -0.022276 -0.023324 0.047860 3C 2dx2y2 0.028214 -0.045319 -0.035154 -0.022996 -0.005689 0.046903 3C 2dxy 0.016095 0.004960 0.070753 -0.048719 -0.026425 -0.107787 3C 1f0 -0.000212 -0.004264 0.006886 -0.010519 -0.006109 -0.008261 3C 1f+1 -0.000441 -0.005688 0.009032 -0.002413 -0.002928 -0.009903 3C 1f-1 -0.000755 -0.013154 -0.010823 0.006911 -0.002248 0.023197 3C 1f+2 0.008203 -0.013156 -0.025304 0.013089 0.002400 0.042109 3C 1f-2 0.001719 0.006552 0.006898 -0.010611 -0.001343 -0.022016 3C 1f+3 -0.004983 -0.016810 -0.018127 0.011560 -0.000208 0.041280 3C 1f-3 -0.001043 -0.023639 -0.027548 0.011405 0.001422 0.053347 4C 1s -0.006804 -0.015425 0.011342 -0.004324 -0.001123 0.000224 4C 2s -0.009065 -0.020891 0.015673 -0.005756 -0.001797 0.000614 4C 3s -0.029239 -0.039984 0.017286 -0.035822 0.001969 -0.004683 4C 4s 0.392242 0.828466 -0.520837 0.320740 0.050892 -0.006950 4C 5s 0.201774 0.416561 -0.573554 0.206130 0.030615 0.192419 4C 1pz -0.001412 0.019370 -0.014136 0.003915 0.007865 0.006719 4C 1px 0.012538 -0.000090 0.001471 0.021226 0.005552 -0.027043 4C 1py 0.005447 0.011256 -0.008811 0.010563 -0.003623 -0.005757 4C 2pz 0.222759 0.330066 -0.425387 -0.080712 0.013594 0.072667 4C 2px 0.220057 0.105080 0.233603 0.420430 0.001547 -0.173730 4C 2py 0.090924 0.260526 -0.175371 0.142679 -0.014058 -0.026829 4C 3pz -0.035250 0.143701 0.200099 -0.069497 -0.033595 -0.104579 4C 3px 0.034965 -0.233785 -0.294451 0.259022 0.004427 0.092901 4C 3py 0.120798 -0.039235 0.023301 -0.014724 -0.107421 -0.018523 4C 1dz2 0.004455 -0.054334 0.032771 -0.047837 -0.012861 0.009758 4C 1dxz 0.000150 -0.072038 0.071491 0.004758 -0.010370 -0.017159 4C 1dyz -0.010626 0.008307 -0.002383 0.010276 0.004249 -0.003851 4C 1dx2y2 0.079239 0.107601 -0.084333 0.034901 0.003832 -0.000623 4C 1dxy 0.022404 0.058471 -0.030173 0.027262 0.004607 -0.013077 4C 2dz2 -0.183326 -0.137261 -0.048783 -0.036010 0.117284 0.066987 4C 2dxz -0.088176 -0.036078 0.323289 0.079807 0.061850 -0.122626 4C 2dyz 0.028694 -0.053561 0.040502 -0.004459 -0.056761 0.013962 4C 2dx2y2 0.051283 0.219720 -0.139991 0.104221 0.082924 -0.001519 4C 2dxy 0.057137 0.143024 0.113952 0.082148 0.004850 -0.106339 4C 1f0 -0.054403 -0.010630 0.067316 0.004936 0.035575 -0.049106 4C 1f+1 -0.103371 -0.084617 0.021028 -0.000891 0.029260 0.042579 4C 1f-1 -0.001547 -0.039578 0.017922 -0.014069 -0.000545 -0.001892 4C 1f+2 0.035312 0.051467 -0.100147 0.004722 0.019244 0.041911 4C 1f-2 0.043278 -0.026502 -0.020514 -0.028461 -0.018639 0.034105 4C 1f+3 -0.099803 -0.000600 -0.072012 -0.008604 0.026037 0.039478 4C 1f-3 0.043408 -0.100501 0.022352 -0.074642 -0.043816 0.017495 5C 1s 0.018463 -0.004456 0.001234 -0.008415 -0.000988 -0.000436 5C 2s 0.024904 -0.006024 0.001517 -0.011761 -0.001831 -0.000876 5C 3s 0.070711 -0.006158 0.004705 -0.001918 0.027884 0.016954 5C 4s -1.068133 0.178003 -0.080375 0.367946 -0.079007 -0.044312 5C 5s -0.626217 0.193066 0.134933 0.287297 0.009700 -0.093245 5C 1pz -0.016906 0.000255 -0.002041 -0.000420 0.004324 -0.015243 5C 1px -0.003755 -0.000507 0.007293 0.018321 0.002561 0.048222 5C 1py 0.026563 0.000065 -0.002181 -0.003459 0.008789 0.009906 5C 2pz -0.333933 0.116319 0.029284 -0.023652 0.053265 -0.106651 5C 2px 0.010472 -0.159027 -0.020949 0.574032 0.035426 0.324839 5C 2py 0.426018 -0.264381 0.056728 -0.174474 -0.065306 0.051981 5C 3pz 0.047792 -0.001986 -0.259854 -0.011985 0.082200 0.102323 5C 3px 0.073581 0.208929 0.337298 0.127695 0.019348 -0.132717 5C 3py -0.001279 0.103025 0.149915 0.013606 0.004958 -0.108128 5C 1dz2 0.058422 -0.038293 0.018438 -0.057035 -0.011822 -0.012807 5C 1dxz 0.097588 -0.044873 0.014066 -0.018872 -0.006569 0.017965 5C 1dyz 0.052477 0.002109 -0.005417 -0.001553 0.005376 0.012645 5C 1dx2y2 -0.133395 0.004410 0.009626 0.068249 -0.001883 0.015217 5C 1dxy -0.050306 0.014985 0.002165 0.000239 -0.002662 -0.026225 5C 2dz2 0.128862 0.105765 0.007678 -0.090424 0.113769 -0.076332 5C 2dxz 0.204875 -0.092371 -0.073019 0.025608 0.044562 0.103777 5C 2dyz 0.036851 -0.106320 -0.032270 0.078550 -0.038686 0.119132 5C 2dx2y2 -0.181080 0.060608 -0.144650 0.250388 0.119010 0.148593 5C 2dxy -0.116638 0.188077 0.116008 -0.090110 0.021235 -0.216775 5C 1f0 0.038353 0.003573 -0.047295 0.020833 0.020332 0.052027 5C 1f+1 0.096248 0.074544 -0.027309 -0.018127 0.043599 -0.032523 5C 1f-1 0.000894 0.010740 0.004238 0.008028 -0.022123 -0.029282 5C 1f+2 -0.055885 -0.020064 0.072395 -0.042692 -0.028749 -0.093777 5C 1f-2 -0.096494 0.035333 -0.006271 0.009826 -0.009521 0.011872 5C 1f+3 0.070507 0.022539 0.044634 -0.097728 -0.006463 -0.099475 5C 1f-3 -0.074738 0.116931 -0.025407 0.029320 0.044837 -0.081222 6C 1s -0.018836 0.004690 -0.001377 0.008412 -0.000926 -0.000412 6C 2s -0.025537 0.006419 -0.001769 0.011727 -0.001744 -0.000862 6C 3s -0.067629 0.003499 -0.002714 0.002057 0.027859 0.016865 6C 4s 1.074365 -0.177581 0.079689 -0.367213 -0.081507 -0.043532 6C 5s 0.632120 -0.202388 -0.136069 -0.291473 0.008178 -0.100064 6C 1pz -0.017198 0.000519 -0.002218 -0.000563 -0.004390 0.015172 6C 1px -0.004478 -0.000550 0.007315 0.018064 -0.002398 -0.048323 6C 1py 0.027218 -0.000306 -0.001912 -0.003123 -0.008703 -0.009765 6C 2pz -0.338289 0.119358 0.027375 -0.022312 -0.051419 0.110035 6C 2px 0.007556 -0.153584 -0.021960 0.577156 -0.034645 -0.327852 6C 2py 0.433622 -0.270412 0.059615 -0.178231 0.062318 -0.055755 6C 3pz 0.052682 -0.008439 -0.258540 -0.011117 -0.081289 -0.103670 6C 3px 0.077467 0.206826 0.339172 0.131865 -0.019174 0.134008 6C 3py -0.010242 0.113036 0.147712 0.011883 -0.005941 0.109334 6C 1dz2 -0.059865 0.039277 -0.018880 0.057156 -0.011496 -0.012817 6C 1dxz -0.099378 0.045954 -0.014742 0.018792 -0.006312 0.018264 6C 1dyz -0.053076 -0.001847 0.005036 0.001383 0.005469 0.012796 6C 1dx2y2 0.136043 -0.006250 -0.008773 -0.068194 -0.002266 0.015172 6C 1dxy 0.051107 -0.015323 -0.001669 0.000098 -0.002809 -0.026739 6C 2dz2 -0.129445 -0.105835 -0.007737 0.090171 0.113809 -0.076792 6C 2dxz -0.206293 0.092616 0.072964 -0.024255 0.045396 0.105200 6C 2dyz -0.036056 0.104936 0.033320 -0.079112 -0.038865 0.119131 6C 2dx2y2 0.183238 -0.062589 0.145531 -0.252458 0.117236 0.147933 6C 2dxy 0.116960 -0.188329 -0.115657 0.087879 0.020302 -0.219157 6C 1f0 0.038512 0.003460 -0.047119 0.020703 -0.020359 -0.052519 6C 1f+1 0.096963 0.073999 -0.027291 -0.017904 -0.043572 0.032523 6C 1f-1 0.001032 0.010733 0.004293 0.008239 0.022083 0.029156 6C 1f+2 -0.055538 -0.020184 0.072501 -0.042631 0.028606 0.094021 6C 1f-2 -0.097411 0.035559 -0.006481 0.009655 0.009782 -0.011345 6C 1f+3 0.071494 0.022162 0.044913 -0.097545 0.006026 0.099559 6C 1f-3 -0.075202 0.117577 -0.025601 0.030252 -0.044505 0.081314 7C 1s 0.006593 0.015668 -0.011465 0.004441 -0.001087 0.000213 7C 2s 0.008715 0.021294 -0.015860 0.005972 -0.001761 0.000584 7C 3s 0.034439 0.036839 -0.016525 0.034382 0.003603 -0.004490 7C 4s -0.406573 -0.826417 0.522693 -0.320771 0.041856 -0.007255 7C 5s -0.195768 -0.419255 0.581949 -0.206556 0.027692 0.195231 7C 1pz -0.000545 0.019316 -0.014092 0.004202 -0.007571 -0.006720 7C 1px 0.012284 0.000000 0.001332 0.021186 -0.005558 0.026762 7C 1py 0.005834 0.011350 -0.008900 0.010753 0.003761 0.005601 7C 2pz 0.204924 0.339889 -0.430530 -0.078817 -0.014674 -0.073531 7C 2px 0.219362 0.103403 0.233473 0.421765 -0.000042 0.176656 7C 2py 0.081342 0.267460 -0.179820 0.144390 0.013840 0.027299 7C 3pz -0.034335 0.142925 0.204132 -0.076089 0.033157 0.107119 7C 3px 0.036910 -0.234343 -0.295109 0.261059 -0.003387 -0.093648 7C 3py 0.122011 -0.039386 0.025488 -0.017999 0.107304 0.019120 7C 1dz2 -0.004685 0.055194 -0.033285 0.048363 -0.012577 0.009783 7C 1dxz -0.000823 0.073139 -0.071980 -0.004301 -0.010019 -0.017333 7C 1dyz 0.010419 -0.008567 0.002328 -0.010205 0.004197 -0.003973 7C 1dx2y2 -0.078175 -0.109158 0.085199 -0.035659 0.003260 -0.000498 7C 1dxy -0.021919 -0.058813 0.030781 -0.027755 0.004407 -0.012938 7C 2dz2 0.178776 0.138815 0.047516 0.035187 0.117369 0.067836 7C 2dxz 0.083993 0.039100 -0.324488 -0.078793 0.061381 -0.123997 7C 2dyz -0.034497 0.056421 -0.041643 0.004530 -0.056879 0.014629 7C 2dx2y2 -0.047712 -0.222377 0.141904 -0.104435 0.082080 -0.002031 7C 2dxy -0.058189 -0.141764 -0.114191 -0.081347 0.004054 -0.107712 7C 1f0 -0.054603 -0.011200 0.067117 0.004733 -0.035724 0.049001 7C 1f+1 -0.102568 -0.084588 0.021593 -0.000409 -0.029641 -0.042337 7C 1f-1 -0.002204 -0.039239 0.018042 -0.014157 0.000183 0.001813 7C 1f+2 0.035368 0.052237 -0.100326 0.004988 -0.018798 -0.041973 7C 1f-2 0.042992 -0.026789 -0.020501 -0.028165 0.018477 -0.034155 7C 1f+3 -0.099855 -0.000136 -0.072551 -0.008150 -0.026191 -0.039889 7C 1f-3 0.043276 -0.101336 0.022910 -0.074930 0.043344 -0.017948 8C 1s 0.000442 -0.000546 -0.000463 -0.000197 0.000032 -0.000422 8C 2s 0.002360 -0.001341 -0.000789 -0.001112 0.000270 -0.000694 8C 3s -0.033248 0.029440 0.008523 0.027490 -0.013929 0.011994 8C 4s 0.201903 -0.160376 0.000621 -0.180999 0.090244 -0.023889 8C 5s -0.415803 0.218204 0.337029 0.114828 0.025813 0.273251 8C 1pz -0.001162 -0.019315 0.008985 -0.008231 0.015012 -0.002487 8C 1px 0.002197 0.000236 0.009204 -0.005169 0.003809 0.015194 8C 1py -0.013573 -0.004051 0.005248 0.004127 0.006662 0.001235 8C 2pz -0.001165 0.194796 -0.065226 0.095494 -0.148132 0.014875 8C 2px -0.010197 -0.018166 -0.096394 0.090723 -0.044496 -0.143585 8C 2py 0.106859 -0.042675 -0.057202 -0.082485 0.002571 -0.020086 8C 3pz -0.000428 -0.024025 0.003573 0.018073 0.031127 -0.020329 8C 3px 0.030566 -0.037428 -0.070601 -0.059533 0.004262 -0.024484 8C 3py -0.084108 0.012467 0.050146 0.013090 0.025954 0.042156 8C 1dz2 0.006968 0.007799 -0.008592 0.007571 -0.006782 -0.007120 8C 1dxz -0.000702 0.011371 -0.002333 -0.002775 -0.005406 0.010652 8C 1dyz 0.002376 -0.005236 0.011428 -0.008475 0.005734 0.010387 8C 1dx2y2 0.010812 0.017141 -0.004097 -0.002833 -0.012177 0.010214 8C 1dxy 0.008422 -0.003515 -0.008505 0.010682 -0.005417 -0.017090 8C 2dz2 -0.028455 -0.070600 0.020783 -0.008930 0.045443 -0.028875 8C 2dxz 0.016550 -0.012933 0.036488 -0.025853 0.024241 0.045625 8C 2dyz -0.013949 0.051593 0.035600 0.023538 -0.023186 0.048929 8C 2dx2y2 -0.028774 0.045692 0.035319 0.024047 -0.004927 0.047499 8C 2dxy -0.016969 -0.003819 -0.071298 0.049084 -0.026079 -0.107571 8C 1f0 -0.000036 -0.004431 0.006988 -0.010652 0.006012 0.008380 8C 1f+1 -0.000342 -0.005536 0.009032 -0.002317 0.002785 0.009960 8C 1f-1 -0.000860 -0.013212 -0.010927 0.006792 0.002267 -0.023323 8C 1f+2 0.008326 -0.013494 -0.025191 0.012879 -0.002388 -0.042409 8C 1f-2 0.002067 0.006231 0.007127 -0.010548 0.001317 0.021777 8C 1f+3 -0.005315 -0.016488 -0.018134 0.011422 0.000263 -0.041034 8C 1f-3 -0.001247 -0.023792 -0.027604 0.011058 -0.001388 -0.053596 9C 1s -0.000365 0.000154 0.000896 -0.000451 -0.000114 0.000240 9C 2s -0.000968 -0.001160 0.002770 -0.000825 -0.000046 0.000603 9C 3s 0.008702 0.027693 -0.057217 -0.011268 -0.001586 -0.016083 9C 4s -0.080121 -0.205687 0.282459 0.058303 -0.000575 0.055625 9C 5s 0.030151 0.098895 -0.623925 0.122623 -0.096130 -0.275334 9C 1pz 0.005031 -0.010207 0.010454 -0.005241 0.007401 0.000140 9C 1px 0.006438 -0.007236 -0.004982 -0.001424 0.005663 -0.007533 9C 1py -0.020357 -0.003431 0.002396 0.007027 -0.012852 0.000351 9C 2pz 0.001042 0.084951 -0.169140 0.028084 -0.038175 -0.008714 9C 2px -0.048022 0.067142 0.068846 0.016548 -0.041910 0.062339 9C 2py 0.171464 0.048354 -0.058412 -0.065139 0.103865 -0.008085 9C 3pz 0.014635 -0.026626 0.073105 -0.014769 0.036688 0.017984 9C 3px -0.025175 -0.008453 0.073800 -0.076100 0.017173 0.029021 9C 3py -0.026573 0.008345 0.055642 -0.012867 -0.021030 0.041598 9C 1dz2 -0.011160 0.009572 0.005380 0.010952 -0.009079 0.006794 9C 1dxz -0.015412 0.001249 -0.014617 0.001038 -0.008714 -0.010721 9C 1dyz 0.010297 0.005043 -0.000075 -0.000747 0.003635 -0.000002 9C 1dx2y2 -0.013826 0.000196 -0.001164 0.003220 -0.007402 -0.000037 9C 1dxy 0.001840 -0.002212 -0.008865 -0.003999 0.004007 -0.006689 9C 2dz2 0.034469 -0.010190 0.079528 -0.026504 0.031722 0.033823 9C 2dxz -0.024264 -0.056591 -0.045072 0.012379 0.000571 -0.053908 9C 2dyz -0.048261 -0.015051 0.052979 0.009161 -0.022441 0.014093 9C 2dx2y2 0.053310 0.007622 -0.023943 -0.001094 0.027660 0.007899 9C 2dxy 0.029796 -0.033943 -0.038911 -0.014532 0.020592 -0.056535 9C 1f0 -0.007237 -0.012043 -0.029668 -0.003909 -0.001294 -0.027262 9C 1f+1 0.005554 0.009705 0.017798 0.003596 -0.002374 0.017508 9C 1f-1 -0.000650 0.000177 -0.019495 0.000582 -0.001539 -0.010323 9C 1f+2 0.003056 0.006930 0.021922 0.003504 -0.000385 0.015744 9C 1f-2 -0.001700 0.020830 0.026771 -0.002963 -0.002041 0.027659 9C 1f+3 0.011851 0.008197 0.016421 -0.002788 0.004652 0.016207 9C 1f-3 -0.009629 -0.001834 -0.006827 0.004331 -0.001512 -0.006511 10H 1s 0.013346 0.010914 0.021602 -0.003185 -0.004548 -0.016845 10H 2s 0.046611 -0.011017 -0.041429 0.018206 -0.020260 -0.009080 10H 3s 0.012270 0.039545 -0.086466 0.032296 0.016853 0.049262 10H 1pz 0.009616 -0.008626 -0.006655 0.004933 -0.004961 -0.000025 10H 1px -0.012534 0.001730 -0.002976 -0.002379 0.006080 0.009106 10H 1py 0.004864 -0.003933 -0.005823 0.000756 -0.003539 0.004560 11H 1s -0.010303 0.005229 0.008164 0.006833 0.010339 -0.006132 11H 2s -0.070008 -0.033149 -0.034824 0.056525 0.034160 -0.000379 11H 3s 0.014404 -0.010933 -0.059113 -0.017491 -0.018453 0.046507 11H 1pz -0.027292 -0.003625 -0.004115 0.017367 0.014575 -0.004100 11H 1px -0.014734 -0.003768 -0.002426 0.009973 0.009367 0.000675 11H 1py -0.004596 0.003266 0.003183 -0.003790 0.001671 0.000319 12H 1s 0.013357 0.000224 0.005792 -0.008751 -0.009611 0.003425 12H 2s 0.044829 -0.034888 -0.024651 -0.007405 -0.030351 0.031145 12H 3s -0.016581 0.009746 -0.076519 0.003291 0.025762 0.011961 12H 1pz 0.007539 -0.002608 0.005101 -0.001268 -0.003307 -0.003903 12H 1px 0.003909 -0.005210 0.001606 -0.001239 -0.005030 0.002240 12H 1py 0.022816 -0.009693 -0.000091 -0.006453 -0.015116 0.005078 13H 1s 0.002332 -0.000600 -0.024070 0.008017 0.006740 0.023137 13H 2s -0.007422 0.055232 0.008986 0.012813 0.029106 -0.008366 13H 3s -0.072105 0.016705 0.043355 0.043626 -0.012758 -0.016995 13H 1pz 0.004129 0.013808 -0.000948 0.005858 0.009045 0.002301 13H 1px -0.001802 -0.004753 0.006291 -0.002461 -0.005996 -0.008147 13H 1py -0.004205 -0.010814 -0.005055 -0.000247 -0.004043 0.008454 14H 1s 0.008927 0.012263 -0.011322 0.006550 0.009896 0.001910 14H 2s 0.022611 0.046499 -0.003919 0.026183 0.035068 0.000134 14H 3s -0.054998 0.019408 0.045847 -0.004011 -0.020943 -0.043806 14H 1pz 0.006451 0.014587 -0.009353 0.005295 0.011378 0.002271 14H 1px 0.011572 0.012144 -0.006702 0.006133 0.012599 0.002943 14H 1py -0.002861 -0.001949 0.005958 0.000810 -0.002536 -0.006866 15H 1s -0.002346 -0.013241 -0.000145 -0.002804 -0.011128 0.004106 15H 2s -0.010607 -0.047613 0.089971 -0.026829 -0.042837 -0.037670 15H 3s -0.009583 0.042005 0.018088 -0.003021 0.025481 -0.025524 15H 1pz -0.000612 -0.000423 -0.005917 0.000867 0.001417 0.004385 15H 1px -0.000872 -0.009375 0.006233 -0.003212 -0.007473 0.000474 15H 1py 0.006477 0.023897 -0.026078 0.009945 0.019754 0.006064 16H 1s -0.020186 0.039653 -0.052504 -0.101979 0.009488 -0.021746 16H 2s -0.086039 -0.011292 -0.047792 -0.329914 0.022289 -0.006827 16H 3s 0.038172 -0.012117 0.015210 0.096183 -0.000478 0.020357 16H 1pz -0.018476 0.022370 -0.047260 -0.161181 0.020946 -0.021387 16H 1px 0.028048 0.062246 -0.051175 0.012017 0.005642 -0.024618 16H 1py -0.081981 0.045819 -0.055297 -0.114554 -0.010037 0.001130 17H 1s -0.016304 0.031026 -0.039569 -0.110657 0.015500 -0.017617 17H 2s -0.144909 0.110099 -0.130025 -0.242117 0.034171 0.011166 17H 3s 0.047383 -0.015742 0.035829 0.085816 0.000039 0.037485 17H 1pz -0.024277 -0.031563 0.044634 0.109804 -0.024548 0.033283 17H 1px 0.070893 -0.051368 0.047772 0.043078 -0.016326 -0.023202 17H 1py -0.062311 0.012743 -0.035834 -0.168118 -0.002761 -0.010379 18H 1s 0.014314 -0.029465 0.039390 0.111314 0.016305 -0.018113 18H 2s 0.137172 -0.105632 0.128141 0.244944 0.035306 0.008347 18H 3s -0.045951 0.015332 -0.035358 -0.085828 -0.000544 0.036701 18H 1pz -0.024925 -0.028967 0.044482 0.115071 0.025271 -0.033633 18H 1px 0.069126 -0.051070 0.048111 0.044640 0.016248 0.021851 18H 1py -0.059583 0.009343 -0.033296 -0.165950 0.002333 0.009921 19H 1s 0.018515 -0.037831 0.051848 0.102086 0.008659 -0.020917 19H 2s 0.081746 0.017514 0.044311 0.331266 0.021584 -0.006669 19H 3s -0.037620 0.011287 -0.015013 -0.096728 -0.000119 0.021647 19H 1pz -0.013848 0.018233 -0.044702 -0.159252 -0.020437 0.021117 19H 1px 0.030415 0.060985 -0.050571 0.013146 -0.005092 0.025480 19H 1py -0.079348 0.045159 -0.055994 -0.118286 0.010090 -0.000209 20H 1s 0.002354 0.013431 0.000232 0.002903 -0.011053 0.004233 20H 2s 0.010257 0.046596 -0.090348 0.026772 -0.042086 -0.038438 20H 3s 0.010713 -0.043581 -0.018605 0.003153 0.025409 -0.026500 20H 1pz -0.000608 -0.000520 -0.005974 0.000830 -0.001402 -0.004532 20H 1px -0.000802 -0.009439 0.006394 -0.003289 0.007487 -0.000420 20H 1py 0.006250 0.023829 -0.026132 0.010001 -0.019467 -0.006070 21H 1s -0.009068 -0.011950 0.011453 -0.006703 0.009844 0.002277 21H 2s -0.023066 -0.047264 0.002909 -0.026626 0.034726 -0.000477 21H 3s 0.055360 -0.021017 -0.045949 0.004272 -0.020946 -0.045221 21H 1pz 0.006684 0.014690 -0.009172 0.005466 -0.011362 -0.002283 21H 1px 0.011682 0.012133 -0.006455 0.006231 -0.012480 -0.002937 21H 1py -0.002903 -0.002045 0.005902 0.000907 0.002589 0.006760 22H 1s -0.002265 0.001089 0.024081 -0.007957 0.006547 0.023520 22H 2s 0.007656 -0.055151 -0.009832 -0.013414 0.028468 -0.008268 22H 3s 0.073590 -0.018931 -0.043288 -0.044069 -0.012603 -0.018745 22H 1pz 0.004136 0.013506 -0.000677 0.005921 -0.008771 -0.002342 22H 1px -0.001772 -0.004681 0.006249 -0.002543 0.005916 0.008353 22H 1py -0.004228 -0.010705 -0.005213 -0.000352 0.003976 -0.008383 23H 1s -0.013192 -0.000315 -0.006175 0.008701 -0.009585 0.003210 23H 2s -0.044564 0.036784 0.025757 0.007030 -0.030010 0.031839 23H 3s 0.017801 -0.009225 0.077177 -0.003407 0.025681 0.012904 23H 1pz 0.007915 -0.002786 0.005079 -0.001418 0.003425 0.003833 23H 1px 0.003860 -0.005298 0.001549 -0.001128 0.004931 -0.002133 23H 1py 0.022865 -0.010293 -0.000306 -0.006362 0.015047 -0.005254 24H 1s 0.010215 -0.005274 -0.008331 -0.006939 0.010188 -0.006385 24H 2s 0.067747 0.033582 0.035338 -0.056723 0.033211 -0.000749 24H 3s -0.013079 0.010390 0.060960 0.016952 -0.017941 0.048194 24H 1pz -0.026537 -0.003769 -0.004037 0.017245 -0.014249 0.004222 24H 1px -0.014397 -0.004011 -0.002427 0.010199 -0.009254 -0.000447 24H 1py -0.004682 0.003086 0.003205 -0.003734 -0.001744 -0.000340 25H 1s -0.012639 -0.011162 -0.021815 0.003198 -0.004196 -0.017004 25H 2s -0.044377 0.010550 0.042191 -0.018997 -0.018765 -0.008467 25H 3s -0.011925 -0.040016 0.088123 -0.032658 0.015772 0.049262 25H 1pz 0.009380 -0.008587 -0.006697 0.005253 0.004646 0.000059 25H 1px -0.011818 0.001596 -0.002929 -0.002471 -0.005619 -0.008997 25H 1py 0.004475 -0.003983 -0.005857 0.000852 0.003278 -0.004760 26O 1s -0.001261 -0.000140 0.002793 -0.001980 -0.000208 -0.000103 26O 2s -0.005489 -0.003417 0.009767 -0.007920 -0.000795 -0.000029 26O 3s 0.099247 0.109366 -0.132622 0.127969 0.011565 -0.008830 26O 4s -0.328747 -0.449291 0.377954 -0.385013 -0.028563 0.044654 26O 5s -0.148603 -0.094211 -0.393198 -0.286870 0.024115 0.157038 26O 1pz 0.009212 -0.028617 0.005321 -0.001792 0.006586 -0.003057 26O 1px -0.007733 -0.018255 0.020852 -0.028747 0.000272 0.003594 26O 1py -0.032505 -0.016090 0.006860 -0.004716 -0.010285 0.006706 26O 2pz -0.027791 0.122905 0.014882 0.013733 -0.012474 -0.030418 26O 2px 0.132208 0.275378 -0.103811 0.215120 0.010950 -0.058790 26O 2py 0.175033 0.145162 -0.015099 0.056886 0.017049 -0.063814 26O 3pz 0.161206 -0.107469 -0.460367 0.064797 -0.041656 0.087143 26O 3px 0.246947 0.247639 0.016694 0.207977 -0.033711 -0.170747 26O 3py -0.055140 0.086102 -0.293543 0.263072 0.100128 0.084693 26O 1dz2 -0.301700 0.113601 0.074298 0.139820 0.290248 -0.012081 26O 1dxz -0.063233 -0.130168 -0.307341 0.041781 0.003064 0.226632 26O 1dyz 0.167733 -0.015071 0.158774 -0.122830 -0.214381 -0.090963 26O 1dx2y2 -0.113549 0.069862 0.191022 0.027353 0.050728 -0.125034 26O 1dxy -0.146061 -0.027094 -0.001135 0.080958 0.200987 0.014700 26O 2dz2 0.251634 -0.006656 -0.086510 -0.059120 -0.205196 -0.002735 26O 2dxz 0.043776 0.040497 0.194114 -0.058912 -0.008136 -0.122413 26O 2dyz -0.123901 -0.002678 -0.124545 0.067578 0.152472 0.078248 26O 2dx2y2 0.075318 -0.131092 -0.078996 -0.069547 -0.048807 0.094913 26O 2dxy 0.006136 -0.071989 0.022560 -0.116692 -0.142045 0.014660 26O 1f0 -0.006819 -0.035307 0.020820 -0.027847 -0.018686 0.036172 26O 1f+1 -0.090578 -0.037053 0.017526 -0.006225 0.035276 0.008911 26O 1f-1 -0.055036 -0.029156 0.009808 -0.003063 0.008636 0.029303 26O 1f+2 -0.031008 0.055398 -0.030199 0.035965 0.007530 -0.018436 26O 1f-2 0.037148 0.011121 -0.009555 0.008950 -0.035251 -0.013920 26O 1f+3 0.082552 -0.024487 0.002173 -0.000608 -0.004311 0.009668 26O 1f-3 -0.018984 -0.071411 0.027278 -0.069169 -0.042656 0.023314 27O 1s 0.001869 -0.001836 -0.001965 -0.001941 -0.000197 0.000078 27O 2s 0.008554 -0.005859 -0.005641 -0.008606 -0.000752 -0.000233 27O 3s -0.163864 0.068338 0.049125 0.156379 0.010516 0.020589 27O 4s 0.575345 -0.178013 -0.067245 -0.518315 -0.029788 -0.106451 27O 5s -0.162835 0.269376 0.156846 -0.385405 -0.024062 -0.268321 27O 1pz 0.005366 -0.014822 0.022653 0.001301 0.009568 0.003123 27O 1px 0.026477 -0.012489 -0.005353 -0.029266 -0.000844 -0.005127 27O 1py -0.024236 -0.014106 -0.000104 0.007771 0.005516 0.003182 27O 2pz 0.008495 0.049879 -0.096947 -0.008077 -0.012700 0.023949 27O 2px -0.288412 0.029270 -0.056196 0.298795 0.014319 0.122527 27O 2py 0.112565 0.079326 0.033024 -0.067435 -0.008916 -0.090908 27O 3pz -0.168598 0.042510 0.331674 -0.074915 -0.097157 -0.118107 27O 3px -0.216947 -0.043930 0.008883 0.370742 -0.008295 0.285562 27O 3py 0.155537 -0.362147 -0.238334 -0.109703 -0.050779 0.164437 27O 1dz2 0.086604 0.336389 -0.129668 0.133496 0.338234 -0.112815 27O 1dxz -0.051429 0.142415 0.172177 -0.058655 -0.086892 -0.274617 27O 1dyz -0.148271 0.072083 0.277652 -0.044834 -0.112017 -0.239204 27O 1dx2y2 0.105249 0.124326 -0.112171 0.074979 0.154644 0.082987 27O 1dxy -0.039941 -0.191451 -0.116203 0.020106 -0.125003 0.246974 27O 2dz2 -0.130340 -0.228308 0.078955 -0.025409 -0.238644 0.109593 27O 2dxz 0.016790 -0.115696 -0.080321 0.025863 0.050862 0.154989 27O 2dyz 0.115498 -0.042556 -0.196724 0.037389 0.083917 0.167084 27O 2dx2y2 0.041146 -0.113440 0.095526 -0.142179 -0.118583 -0.084693 27O 2dxy -0.029941 0.091191 0.068051 0.064071 0.085515 -0.101762 27O 1f0 -0.003708 -0.043038 0.013922 -0.018388 -0.011350 0.007604 27O 1f+1 0.071720 0.047571 -0.029050 -0.030628 0.046073 -0.035926 27O 1f-1 -0.019352 -0.009352 0.005578 0.020199 0.023754 0.036113 27O 1f+2 -0.025692 0.031603 -0.019608 0.013249 -0.010995 0.048325 27O 1f-2 -0.035801 -0.034040 0.021220 0.008080 -0.010858 0.005815 27O 1f+3 0.025562 -0.059043 0.050948 -0.048641 -0.037185 -0.026215 27O 1f-3 -0.067938 0.007412 0.002510 0.088951 0.020332 0.067830 28O 1s -0.000592 -0.003505 0.000441 0.000643 -0.000206 -0.000035 28O 2s -0.002636 -0.013237 0.004154 0.002160 -0.000816 -0.000339 28O 3s 0.051834 0.203883 -0.115902 -0.024752 0.012764 0.013809 28O 4s -0.201729 -0.636216 0.462510 0.036905 -0.036898 -0.063491 28O 5s 0.106320 0.194221 0.297091 0.342162 0.042113 -0.152001 28O 1pz 0.002483 -0.025173 0.025199 -0.012365 0.003367 0.003616 28O 1px 0.008488 0.021159 -0.009385 -0.017092 0.004638 0.004112 28O 1py -0.022857 -0.002570 0.011392 0.006417 -0.008656 -0.005117 28O 2pz 0.025043 0.154474 -0.260385 0.035810 0.002292 0.053971 28O 2px -0.096272 -0.199296 0.218075 0.065711 -0.015734 -0.045467 28O 2py 0.094503 -0.002791 -0.072747 -0.029897 0.009712 0.044549 28O 3pz 0.188032 0.435689 0.007527 -0.128932 -0.033908 0.057256 28O 3px 0.073685 -0.013678 0.364212 0.081985 -0.027094 -0.161888 28O 3py -0.123192 0.327516 0.123868 0.070419 0.104873 -0.130577 28O 1dz2 -0.222855 0.128769 0.117958 0.076414 0.160684 -0.141579 28O 1dxz -0.195166 0.011621 -0.093471 0.078193 0.203701 0.011461 28O 1dyz 0.057559 -0.165717 -0.041622 -0.025575 -0.045579 0.069027 28O 1dx2y2 -0.336789 -0.107255 -0.160637 0.074736 0.267310 0.120602 28O 1dxy 0.081341 -0.256486 -0.192080 -0.014316 -0.177043 0.175405 28O 2dz2 0.182724 -0.100944 -0.032993 -0.056535 -0.122871 0.070073 28O 2dxz 0.165700 0.094716 -0.064125 -0.057288 -0.136400 0.025280 28O 2dyz -0.055771 0.109224 0.062477 0.043706 0.037481 -0.062439 28O 2dx2y2 0.199535 0.010397 0.159029 -0.049420 -0.194349 -0.082017 28O 2dxy -0.026436 0.185978 0.093295 -0.009343 0.120169 -0.106878 28O 1f0 -0.088802 0.007358 0.014611 0.040387 0.029479 -0.004591 28O 1f+1 0.008577 -0.077842 0.071759 -0.007394 -0.008809 -0.044987 28O 1f-1 0.015160 -0.003480 0.009202 -0.023106 -0.015113 -0.013589 28O 1f+2 0.011141 0.043321 -0.063821 -0.002829 -0.014183 0.016535 28O 1f-2 -0.035453 -0.028063 0.034751 0.022715 -0.009743 -0.027402 28O 1f+3 -0.059680 0.008859 -0.012215 0.012851 0.054509 -0.000731 28O 1f-3 -0.000394 -0.046752 0.032474 0.014451 -0.022944 0.001031 29O 1s -0.000072 -0.000882 0.001020 0.001806 -0.000471 0.000961 29O 2s 0.000114 -0.003180 0.003798 0.007204 -0.001753 0.002999 29O 3s -0.015183 0.048574 -0.061567 -0.131209 0.027247 -0.036898 29O 4s -0.015277 -0.093382 0.108585 0.189201 -0.071101 0.084306 29O 5s 0.361665 -0.092107 0.197446 0.744736 0.010338 -0.061502 29O 1pz 0.001281 -0.006560 0.006410 0.009319 -0.000415 0.003787 29O 1px 0.000766 0.006030 -0.008254 -0.017945 0.004394 -0.008382 29O 1py 0.003293 -0.012918 0.017441 0.042325 -0.005855 0.002370 29O 2pz -0.017968 0.028010 -0.038277 -0.094439 0.000517 -0.018997 29O 2px 0.043901 -0.053739 0.076934 0.196655 -0.018868 0.035029 29O 2py -0.030647 0.069778 -0.096225 -0.235804 0.032196 -0.024618 29O 3pz 0.101995 -0.146287 0.112288 0.033156 0.007052 -0.009133 29O 3px -0.142948 0.006624 -0.067678 -0.366628 -0.024537 -0.025175 29O 3py -0.125560 -0.024498 0.016402 -0.024346 0.012462 0.056087 29O 1dz2 -0.137298 0.078513 -0.046213 0.094589 -0.028550 0.051173 29O 1dxz 0.081360 -0.282178 0.256483 0.142408 0.003534 0.040640 29O 1dyz 0.230355 -0.133432 0.086487 -0.069431 0.019651 -0.088407 29O 1dx2y2 -0.185430 0.061843 -0.161464 -0.691011 -0.078040 -0.070040 29O 1dxy -0.296672 -0.136271 0.113965 -0.033436 -0.034001 0.150325 29O 2dz2 0.136790 -0.070130 0.059434 0.019079 0.018520 -0.035936 29O 2dxz -0.027666 0.187325 -0.163720 -0.040360 -0.006898 -0.030528 29O 2dyz -0.168545 0.102205 -0.062875 0.068686 -0.013632 0.071275 29O 2dx2y2 0.129141 -0.039676 0.109240 0.482326 0.057994 0.051293 29O 2dxy 0.186635 0.118643 -0.109684 -0.044134 0.035223 -0.116095 29O 1f0 -0.059487 0.050483 -0.065193 -0.143843 0.004032 -0.012411 29O 1f+1 0.039021 -0.042979 0.046329 0.064989 -0.000489 0.005361 29O 1f-1 -0.044052 0.023149 -0.036333 -0.089439 0.007108 -0.001363 29O 1f+2 -0.003596 0.008712 0.011398 0.110126 -0.001738 0.022948 29O 1f-2 -0.021837 -0.005683 0.000928 -0.058334 0.009078 -0.001510 29O 1f+3 -0.004514 -0.035421 0.034818 0.035056 -0.006558 0.013114 29O 1f-3 0.017772 -0.010793 0.019705 0.089122 0.000361 0.003952 30O 1s 0.002828 0.000622 0.001988 -0.000133 -0.000115 -0.000325 30O 2s 0.012426 0.000529 0.006143 -0.000758 -0.000421 -0.000531 30O 3s -0.225267 0.029762 -0.065640 0.016020 0.005814 -0.011120 30O 4s 0.752375 -0.168234 0.143935 -0.080918 -0.016410 0.068659 30O 5s 0.071353 -0.278994 -0.120912 0.433979 -0.019900 0.327083 30O 1pz 0.014555 -0.024772 0.013136 -0.015276 0.007543 0.000272 30O 1px -0.023139 -0.003339 -0.010998 -0.011426 0.002319 -0.009210 30O 1py -0.037835 0.002327 0.010411 0.004849 0.006630 -0.005880 30O 2pz -0.166789 0.174053 -0.025059 0.047613 -0.005850 -0.080406 30O 2px 0.279865 -0.074514 0.025799 0.031378 -0.005257 0.064480 30O 2py 0.253969 -0.089803 -0.078445 0.001825 -0.010879 0.126068 30O 3pz -0.317269 -0.170106 -0.051051 -0.003137 -0.093280 -0.056482 30O 3px 0.153027 -0.286026 -0.181492 0.154506 -0.018513 0.337833 30O 3py 0.292593 -0.001124 0.375882 -0.126525 -0.064545 -0.087805 30O 1dz2 0.004758 0.034429 -0.286762 0.129982 0.133832 0.286657 30O 1dxz 0.040486 0.228820 -0.153331 0.061115 0.296973 0.043089 30O 1dyz -0.124063 -0.162306 0.021331 0.016059 -0.123951 0.074114 30O 1dx2y2 0.098757 0.330891 0.101604 -0.066218 0.167519 -0.346956 30O 1dxy 0.010574 -0.019339 -0.227712 0.066247 0.173638 0.190439 30O 2dz2 -0.041841 -0.049142 0.208537 -0.100984 -0.104718 -0.189431 30O 2dxz -0.127009 -0.102360 0.093643 -0.018405 -0.206373 -0.057315 30O 2dyz 0.002095 0.165006 -0.009904 -0.023765 0.094665 -0.105397 30O 2dx2y2 -0.047066 -0.222622 -0.045010 0.014338 -0.120068 0.200656 30O 2dxy 0.124627 -0.022703 0.141385 -0.045736 -0.119686 -0.088224 30O 1f0 0.056892 0.033903 -0.027395 0.022795 0.037199 0.000164 30O 1f+1 0.017338 -0.024993 0.019693 -0.023943 0.003992 0.009369 30O 1f-1 -0.021169 -0.057113 0.037491 -0.025329 -0.006509 0.008173 30O 1f+2 -0.005629 -0.013851 0.026628 0.011350 -0.040266 -0.002227 30O 1f-2 -0.087987 0.050753 -0.007258 0.013046 0.020513 -0.081511 30O 1f+3 0.091969 0.016939 -0.017141 0.010947 0.023347 0.051488 30O 1f-3 -0.045345 0.052386 -0.020685 0.010178 0.034339 -0.003094 31O 1s -0.002894 -0.000585 -0.002010 0.000121 -0.000104 -0.000325 31O 2s -0.012673 -0.000390 -0.006228 0.000719 -0.000375 -0.000510 31O 3s 0.228818 -0.031692 0.066841 -0.015679 0.005023 -0.011791 31O 4s -0.761804 0.172883 -0.146770 0.080861 -0.013576 0.071600 31O 5s -0.067185 0.274914 0.122920 -0.430473 -0.019700 0.329686 31O 1pz 0.015025 -0.024988 0.013314 -0.015197 -0.007655 -0.000352 31O 1px -0.023784 -0.002920 -0.011283 -0.011557 -0.002316 0.009146 31O 1py -0.038241 0.002540 0.010269 0.004732 -0.006588 0.006017 31O 2pz -0.169106 0.174939 -0.025753 0.047967 0.006757 0.081561 31O 2px 0.283711 -0.076434 0.027029 0.031484 0.004498 -0.065453 31O 2py 0.255897 -0.090511 -0.077957 0.001642 0.010264 -0.127523 31O 3pz -0.318867 -0.170349 -0.052315 -0.003633 0.093612 0.057628 31O 3px 0.152361 -0.284530 -0.181517 0.153090 0.017911 -0.341136 31O 3py 0.296055 -0.001702 0.377598 -0.125639 0.062735 0.087368 31O 1dz2 -0.003156 -0.035658 0.286893 -0.130000 0.132785 0.287306 31O 1dxz -0.040417 -0.228812 0.153603 -0.062146 0.295878 0.043137 31O 1dyz 0.125430 0.161499 -0.021208 -0.015972 -0.124057 0.074226 31O 1dx2y2 -0.100129 -0.330978 -0.101164 0.064147 0.167585 -0.347689 31O 1dxy -0.009497 0.017936 0.228132 -0.066554 0.172980 0.191666 31O 2dz2 0.041143 0.049818 -0.208564 0.101297 -0.103978 -0.189989 31O 2dxz 0.128378 0.101728 -0.093283 0.019088 -0.205991 -0.057862 31O 2dyz -0.002077 -0.165044 0.010225 0.023486 0.094495 -0.105922 31O 2dx2y2 0.047332 0.222840 0.044561 -0.013241 -0.119966 0.201255 31O 2dxy -0.126756 0.024353 -0.142160 0.045902 -0.118899 -0.088475 31O 1f0 0.057991 0.033345 -0.026933 0.023314 -0.037082 -0.000270 31O 1f+1 0.017939 -0.025337 0.019990 -0.024196 -0.004166 -0.009422 31O 1f-1 -0.020851 -0.057396 0.037655 -0.025617 0.006397 -0.008236 31O 1f+2 -0.005528 -0.014047 0.026652 0.011166 0.040184 0.002385 31O 1f-2 -0.089688 0.051950 -0.008170 0.013062 -0.020302 0.081880 31O 1f+3 0.092953 0.016168 -0.016821 0.010884 -0.023465 -0.051708 31O 1f-3 -0.046370 0.053156 -0.021177 0.010162 -0.034110 0.003338 32O 1s 0.000104 0.000845 -0.001020 -0.001813 -0.000465 0.000944 32O 2s 0.000024 0.003032 -0.003783 -0.007237 -0.001738 0.002955 32O 3s 0.012530 -0.045932 0.061003 0.131977 0.027085 -0.036539 32O 4s 0.020034 0.088310 -0.107901 -0.190789 -0.070525 0.083199 32O 5s -0.349243 0.082533 -0.191285 -0.748536 0.009004 -0.057400 32O 1pz 0.001083 -0.005998 0.005844 0.008192 -0.000136 -0.003443 32O 1px 0.001140 0.005710 -0.008273 -0.018501 -0.004554 0.008514 32O 1py 0.002600 -0.012268 0.017282 0.042726 0.005857 -0.002425 32O 2pz -0.015641 0.024089 -0.034595 -0.087930 0.002453 0.017238 32O 2px 0.039783 -0.050433 0.076235 0.200430 0.019996 -0.036164 32O 2py -0.026094 0.065398 -0.094821 -0.238207 -0.032234 0.025157 32O 3pz 0.099055 -0.145949 0.112321 0.033019 -0.007412 0.007253 32O 3px -0.138759 0.003572 -0.065626 -0.367572 0.023649 0.025739 32O 3py -0.123640 -0.026799 0.018340 -0.026137 -0.012352 -0.054614 32O 1dz2 0.144190 -0.085677 0.049788 -0.100217 -0.030601 0.053397 32O 1dxz -0.075498 0.273848 -0.251774 -0.142282 0.006076 0.041212 32O 1dyz -0.215910 0.135986 -0.086228 0.080834 0.018180 -0.083197 32O 1dx2y2 0.174511 -0.056109 0.159270 0.691464 -0.075397 -0.070370 32O 1dxy 0.301257 0.135678 -0.115594 0.038371 -0.034435 0.151284 32O 2dz2 -0.140559 0.074187 -0.061479 -0.015078 0.020369 -0.037955 32O 2dxz 0.024752 -0.181913 0.160297 0.039155 -0.009548 -0.030540 32O 2dyz 0.156612 -0.104102 0.062180 -0.079785 -0.011852 0.066789 32O 2dx2y2 -0.122207 0.036514 -0.108283 -0.482884 0.055752 0.051487 32O 2dxy -0.192236 -0.116727 0.110094 0.040086 0.035790 -0.117282 32O 1f0 -0.053419 0.046400 -0.061810 -0.138539 -0.003509 0.012577 32O 1f+1 0.038407 -0.042286 0.047037 0.070355 0.000768 -0.006220 32O 1f-1 -0.045736 0.024848 -0.038750 -0.093184 -0.006710 0.001002 32O 1f+2 -0.002450 0.010483 0.011504 0.116479 0.002555 -0.022393 32O 1f-2 -0.019691 -0.006549 0.001961 -0.055136 -0.010207 0.001430 32O 1f+3 -0.006992 -0.034232 0.034165 0.032692 0.006233 -0.013642 32O 1f-3 0.016140 -0.010446 0.019547 0.086755 0.000354 -0.003659 33O 1s 0.000543 0.003555 -0.000473 -0.000634 -0.000200 -0.000027 33O 2s 0.002451 0.013427 -0.004272 -0.002123 -0.000789 -0.000324 33O 3s -0.049095 -0.206725 0.117648 0.024157 0.012232 0.013827 33O 4s 0.193090 0.644527 -0.467766 -0.035160 -0.035160 -0.064157 33O 5s -0.107935 -0.191624 -0.297272 -0.344353 0.040766 -0.153933 33O 1pz 0.002390 -0.025334 0.025263 -0.012612 -0.003579 -0.003518 33O 1px 0.008176 0.021630 -0.009590 -0.016830 -0.004611 -0.004224 33O 1py -0.022952 -0.002459 0.011468 0.006394 0.008594 0.005263 33O 2pz 0.023907 0.156598 -0.261196 0.037239 -0.001466 -0.054898 33O 2px -0.093436 -0.202857 0.220159 0.064546 0.015229 0.046665 33O 2py 0.094673 -0.002886 -0.073328 -0.029711 -0.009613 -0.045337 33O 3pz 0.184728 0.438646 0.006823 -0.130969 0.035297 -0.055709 33O 3px 0.075264 -0.015935 0.364860 0.082426 0.026438 0.162342 33O 3py -0.124629 0.328620 0.122942 0.069033 -0.103385 0.132757 33O 1dz2 0.222976 -0.128432 -0.116755 -0.076163 0.160520 -0.142232 33O 1dxz 0.195008 -0.011831 0.093981 -0.078938 0.203444 0.011713 33O 1dyz -0.059613 0.167581 0.040107 0.025084 -0.045155 0.069763 33O 1dx2y2 0.334779 0.107227 0.160326 -0.076940 0.266946 0.120541 33O 1dxy -0.083719 0.256640 0.190183 0.013190 -0.176452 0.176464 33O 2dz2 -0.183108 0.101189 0.032400 0.056725 -0.122735 0.070765 33O 2dxz -0.164361 -0.096247 0.064502 0.057187 -0.136622 0.025412 33O 2dyz 0.056584 -0.110151 -0.061860 -0.043288 0.037118 -0.063113 33O 2dx2y2 -0.198780 -0.009546 -0.159415 0.051093 -0.193821 -0.082272 33O 2dxy 0.028341 -0.186354 -0.091521 0.010032 0.119695 -0.107419 33O 1f0 -0.088369 0.007192 0.014823 0.040502 -0.029436 0.004947 33O 1f+1 0.009488 -0.079403 0.071888 -0.008334 0.008647 0.044691 33O 1f-1 0.014784 -0.003413 0.009107 -0.022992 0.015014 0.013605 33O 1f+2 0.010607 0.044380 -0.064193 -0.002159 0.014378 -0.016687 33O 1f-2 -0.034919 -0.028352 0.035302 0.022354 0.009642 0.027618 33O 1f+3 -0.059704 0.009092 -0.012379 0.013186 -0.054417 0.000713 33O 1f-3 0.000407 -0.047224 0.033277 0.014263 0.022838 -0.000984 34O 1s -0.001925 0.001887 0.001935 0.001957 -0.000189 0.000092 34O 2s -0.008772 0.006052 0.005535 0.008661 -0.000717 -0.000196 34O 3s 0.167090 -0.071150 -0.047702 -0.157205 0.009870 0.020222 34O 4s -0.583648 0.185655 0.063509 0.520934 -0.027515 -0.105209 34O 5s 0.163257 -0.270815 -0.154645 0.388321 -0.023911 -0.272779 34O 1pz 0.005314 -0.014610 0.022570 0.001333 -0.009661 -0.003050 34O 1px 0.027579 -0.013021 -0.005076 -0.029118 0.000701 0.005292 34O 1py -0.024400 -0.014132 -0.000118 0.007678 -0.005425 -0.003225 34O 2pz 0.008822 0.049009 -0.096559 -0.008360 0.013037 -0.024253 34O 2px -0.294016 0.032895 -0.057704 0.299064 -0.013126 -0.123504 34O 2py 0.113559 0.079258 0.033078 -0.067102 0.008452 0.091328 34O 3pz -0.169272 0.044025 0.331458 -0.074522 0.096494 0.120476 34O 3px -0.218609 -0.041596 0.009430 0.373848 0.009791 -0.285847 34O 3py 0.156530 -0.364692 -0.237672 -0.113058 0.049648 -0.167527 34O 1dz2 -0.087071 -0.337820 0.130603 -0.135920 0.337110 -0.113435 34O 1dxz 0.050952 -0.142467 -0.171961 0.057500 -0.086561 -0.275718 34O 1dyz 0.149347 -0.073417 -0.276355 0.043726 -0.111811 -0.241423 34O 1dx2y2 -0.104385 -0.124690 0.112671 -0.075093 0.153911 0.083039 34O 1dxy 0.040986 0.191320 0.115697 -0.018714 -0.124779 0.247709 34O 2dz2 0.131924 0.228305 -0.079208 0.026901 -0.238099 0.110210 34O 2dxz -0.016489 0.115674 0.080213 -0.025179 0.050707 0.155745 34O 2dyz -0.116266 0.043399 0.195847 -0.036692 0.083788 0.168687 34O 2dx2y2 -0.043584 0.115130 -0.096359 0.142565 -0.117656 -0.084951 34O 2dxy 0.030428 -0.091820 -0.067326 -0.065058 0.085046 -0.102196 34O 1f0 -0.003325 -0.043362 0.014097 -0.018535 0.011311 -0.007711 34O 1f+1 0.073558 0.046520 -0.028595 -0.030277 -0.046130 0.036122 34O 1f-1 -0.019883 -0.008974 0.005431 0.020186 -0.023599 -0.036064 34O 1f+2 -0.026159 0.031750 -0.019669 0.013116 0.011091 -0.048173 34O 1f-2 -0.035971 -0.033928 0.021110 0.008069 0.010921 -0.005660 34O 1f+3 0.026864 -0.059984 0.051227 -0.048733 0.036860 0.026549 34O 1f-3 -0.070263 0.008745 0.001600 0.088901 -0.019830 -0.067703 35O 1s 0.001237 0.000175 -0.002804 0.002010 -0.000195 -0.000117 35O 2s 0.005393 0.003552 -0.009821 0.008027 -0.000742 -0.000063 35O 3s -0.097802 -0.111297 0.133582 -0.129348 0.010601 -0.008682 35O 4s 0.324760 0.454231 -0.380556 0.388207 -0.025356 0.045467 35O 5s 0.147113 0.093046 0.390566 0.283205 0.025780 0.158838 35O 1pz 0.009070 -0.028579 0.005222 -0.001785 -0.006662 0.002893 35O 1px -0.007489 -0.018662 0.021121 -0.029137 -0.000447 -0.003470 35O 1py -0.032518 -0.016305 0.006975 -0.004968 0.010197 -0.006756 35O 2pz -0.027710 0.122563 0.014965 0.013377 0.012652 0.031073 35O 2px 0.130628 0.277464 -0.105686 0.216376 -0.009249 0.059427 35O 2py 0.174662 0.146216 -0.015823 0.057542 -0.016399 0.064512 35O 3pz 0.161149 -0.106526 -0.461430 0.066930 0.042768 -0.089258 35O 3px 0.245998 0.247227 0.014824 0.207848 0.035560 0.171373 35O 3py -0.054891 0.087288 -0.294520 0.265245 -0.097792 -0.084516 35O 1dz2 0.300191 -0.113311 -0.074178 -0.140712 0.289885 -0.013170 35O 1dxz 0.062734 0.128430 0.306319 -0.043593 0.002641 0.227064 35O 1dyz -0.168342 0.017157 -0.159206 0.123790 -0.213317 -0.090442 35O 1dx2y2 0.113558 -0.069458 -0.190724 -0.026745 0.051015 -0.125174 35O 1dxy 0.145661 0.026905 0.000928 -0.081904 0.200735 0.014512 35O 2dz2 -0.250282 0.005941 0.086867 0.059394 -0.205310 -0.002096 35O 2dxz -0.044111 -0.039223 -0.193813 0.059996 -0.007684 -0.122736 35O 2dyz 0.123784 0.001382 0.124650 -0.068248 0.151758 0.077857 35O 2dx2y2 -0.075660 0.131314 0.078135 0.069579 -0.048607 0.095060 35O 2dxy -0.006606 0.073119 -0.022974 0.117778 -0.141319 0.015095 35O 1f0 -0.006113 -0.035660 0.021273 -0.028067 0.018497 -0.035979 35O 1f+1 -0.089730 -0.037624 0.017949 -0.006495 -0.035301 -0.008731 35O 1f-1 -0.054737 -0.029391 0.010005 -0.003013 -0.008729 -0.029339 35O 1f+2 -0.031568 0.055923 -0.030658 0.035986 -0.007273 0.018363 35O 1f-2 0.036357 0.011434 -0.009874 0.009129 0.035281 0.013652 35O 1f+3 0.082483 -0.024191 0.002515 -0.000611 0.004528 -0.009416 35O 1f-3 -0.017946 -0.072805 0.027967 -0.070050 0.042345 -0.023363 702 703 704 705 706 707 6.57133 6.61398 6.71331 6.72590 6.72882 6.72994 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s -0.000116 -0.003355 0.000019 0.000002 0.000083 0.000123 0Rh 2s 0.000678 0.025047 -0.011956 -0.000538 -0.000555 -0.001328 0Rh 3s -0.000306 -0.005723 -0.006898 -0.000302 0.000182 -0.000033 0Rh 4s -0.004552 -0.163649 0.070799 0.003196 0.003693 0.008409 0Rh 5s 0.012890 0.475793 -0.232850 -0.010526 -0.010636 -0.024955 0Rh 6s -0.015103 -0.640882 0.467968 0.021136 0.012994 0.036015 0Rh 7s 0.041209 1.645076 -1.824532 -0.082041 -0.014988 -0.095299 0Rh 8s -0.036161 0.111806 0.473687 0.026249 0.065351 -0.073359 0Rh 1pz 0.041459 0.021205 -0.003589 -0.000296 0.015395 0.058511 0Rh 1px 0.012161 -0.062921 0.018895 0.001624 0.018550 0.014384 0Rh 1py 0.004888 -0.012029 0.004439 -0.002816 -0.058810 0.019834 0Rh 2pz -0.175053 -0.089542 0.015239 0.001287 -0.065512 -0.248940 0Rh 2px -0.051357 0.265671 -0.080281 -0.006884 -0.078848 -0.061221 0Rh 2py -0.020644 0.050787 -0.018888 0.011956 0.250223 -0.084390 0Rh 3pz 0.605599 0.308897 -0.054416 -0.005223 0.235757 0.894857 0Rh 3px 0.177818 -0.915934 0.286814 0.024217 0.281905 0.220421 0Rh 3py 0.071547 -0.175013 0.067930 -0.042429 -0.899673 0.303410 0Rh 4pz -0.875164 -0.437733 0.083893 0.010204 -0.362782 -1.374149 0Rh 4px -0.257322 1.296356 -0.437523 -0.035521 -0.428335 -0.338951 0Rh 4py -0.103860 0.247456 -0.104046 0.063172 1.382093 -0.466049 0Rh 5pz 0.617972 0.268856 -0.067600 -0.012595 0.282182 1.065116 0Rh 5px 0.181910 -0.792542 0.331588 0.023798 0.324636 0.261415 0Rh 5py 0.074722 -0.150534 0.076424 -0.043994 -1.071843 0.361736 0Rh 6pz -0.171024 0.269464 0.067895 -0.020041 -0.133356 -0.573577 0Rh 6px -0.055468 -0.832900 -0.150902 -0.009535 -0.199279 -0.081652 0Rh 6py -0.037190 -0.178775 0.013734 -0.017270 0.563175 -0.198569 0Rh 1dz2 -0.004078 0.005816 0.000417 0.009389 0.001597 0.006392 0Rh 1dxz 0.005962 0.008533 0.001771 -0.000823 -0.002493 -0.012246 0Rh 1dyz -0.001067 0.001278 -0.000480 0.023285 -0.004935 -0.002117 0Rh 1dx2y2 0.001619 -0.012577 -0.002522 0.003327 -0.006185 -0.001979 0Rh 1dxy -0.000029 -0.004107 -0.002333 0.008735 0.012271 -0.005010 0Rh 2dz2 0.000390 -0.001389 0.001862 -0.006927 -0.001055 -0.003895 0Rh 2dxz -0.000412 -0.002172 0.001910 0.000780 0.001573 0.007723 0Rh 2dyz 0.000682 -0.000255 0.000963 -0.017499 0.002982 0.001320 0Rh 2dx2y2 0.000045 0.003144 -0.002723 -0.002704 0.003810 0.001019 0Rh 2dxy 0.000393 0.000904 -0.000189 -0.006856 -0.007674 0.003083 0Rh 3dz2 0.021341 -0.026512 -0.012563 -0.018397 -0.003837 -0.017264 0Rh 3dxz -0.031994 -0.038272 -0.020870 0.000711 0.006460 0.031621 0Rh 3dyz 0.002731 -0.006103 -0.002374 -0.043954 0.013432 0.005513 0Rh 3dx2y2 -0.009470 0.056619 0.029754 -0.005189 0.016423 0.006360 0Rh 3dxy -0.001795 0.019160 0.014950 -0.014920 -0.032070 0.013377 0Rh 4dz2 -0.057062 0.069842 0.049877 0.012934 0.006088 0.032894 0Rh 4dxz 0.085759 0.100400 0.075331 0.002223 -0.011841 -0.056169 0Rh 4dyz -0.005779 0.016410 0.013504 0.025646 -0.025385 -0.009595 0Rh 4dx2y2 0.025958 -0.148444 -0.107793 -0.000993 -0.030193 -0.014426 0Rh 4dxy 0.006024 -0.051019 -0.047506 0.003113 0.058251 -0.024975 0Rh 5dz2 0.129979 -0.152118 -0.218015 0.222725 0.007965 -0.003968 0Rh 5dxz -0.198372 -0.219842 -0.293816 -0.030857 -0.001685 -0.021811 0Rh 5dyz 0.003004 -0.036287 -0.080204 0.576032 0.001798 -0.004231 0Rh 5dx2y2 -0.061841 0.322745 0.425635 0.105163 -0.002732 0.017789 0Rh 5dxy -0.019861 0.113818 0.160453 0.245997 0.013387 -0.000223 0Rh 1f0 -0.006161 -0.009649 -0.005599 0.007134 -0.031122 -0.002637 0Rh 1f+1 -0.006985 0.007976 0.006399 -0.012782 -0.001671 0.013249 0Rh 1f-1 0.009217 0.001628 0.004187 0.011547 -0.023830 0.048562 0Rh 1f+2 -0.004696 0.011774 0.005296 0.008333 -0.026468 -0.038847 0Rh 1f-2 0.002389 0.004711 0.006207 -0.028743 -0.036039 0.009171 0Rh 1f+3 0.002082 0.014720 0.008783 0.003692 0.025659 0.016823 0Rh 1f-3 -0.003182 0.009319 0.006108 0.015767 -0.014796 0.001614 1Rh 1s -0.000129 0.003354 0.000017 0.000003 -0.000081 -0.000119 1Rh 2s 0.000767 -0.025034 -0.011948 -0.000549 0.000566 0.001409 1Rh 3s -0.000337 0.005721 -0.006904 -0.000305 -0.000162 0.000103 1Rh 4s -0.005135 0.163566 0.070743 0.003262 -0.003747 -0.008869 1Rh 5s 0.014559 -0.475553 -0.232699 -0.010725 0.010859 0.026552 1Rh 6s -0.017214 0.640554 0.467813 0.021448 -0.013661 -0.039645 1Rh 7s 0.043325 -1.644048 -1.824316 -0.083348 0.017441 0.110955 1Rh 8s -0.034255 -0.112075 0.474141 0.024409 -0.065998 0.069445 1Rh 1pz -0.041409 0.021210 0.004074 -0.000639 0.015393 0.058484 1Rh 1px -0.012146 -0.062862 -0.018795 -0.001554 0.018622 0.014641 1Rh 1py -0.004848 -0.012087 -0.004243 0.000884 -0.058861 0.019921 1Rh 2pz 0.174845 -0.089563 -0.017302 0.002695 -0.065502 -0.248828 1Rh 2px 0.051288 0.265422 0.079855 0.006588 -0.079156 -0.062312 1Rh 2py 0.020476 0.051031 0.018057 -0.003740 0.250440 -0.084759 1Rh 3pz -0.604922 0.308969 0.061828 -0.009092 0.235708 0.894500 1Rh 3px -0.177468 -0.915085 -0.285278 -0.023158 0.282987 0.224308 1Rh 3py -0.070987 -0.175868 -0.064957 0.012936 -0.900447 0.304751 1Rh 4pz 0.874336 -0.437823 -0.095267 0.011797 -0.362667 -1.373717 1Rh 4px 0.256434 1.295166 0.435147 0.033887 -0.429890 -0.344831 1Rh 4py 0.103136 0.248715 0.099513 -0.017988 1.383230 -0.468160 1Rh 5pz -0.617781 0.268872 0.076312 -0.004506 0.282028 1.064939 1Rh 5px -0.180463 -0.791754 -0.329746 -0.022407 0.325497 0.265773 1Rh 5py -0.074494 -0.151446 -0.072950 0.009118 -1.072502 0.363477 1Rh 6pz 0.174377 0.267226 -0.069459 0.029667 -0.133939 -0.572108 1Rh 6px 0.050343 -0.833837 0.151348 0.005729 -0.197816 -0.082650 1Rh 6py 0.039060 -0.177998 -0.016092 0.036029 0.560566 -0.199542 1Rh 1dz2 -0.003997 -0.005827 0.000325 0.009484 -0.001851 -0.006223 1Rh 1dxz 0.006051 -0.008527 0.001901 -0.001030 0.002492 0.012175 1Rh 1dyz -0.001071 -0.001273 -0.000508 0.023362 0.004382 0.002694 1Rh 1dx2y2 0.001542 0.012577 -0.002487 0.003419 0.006110 0.002100 1Rh 1dxy -0.000023 0.004127 -0.002290 0.008300 -0.012489 0.005223 1Rh 2dz2 0.000372 0.001394 0.001914 -0.006980 0.001232 0.003738 1Rh 2dxz -0.000431 0.002169 0.001829 0.000915 -0.001587 -0.007712 1Rh 2dyz 0.000692 0.000251 0.000973 -0.017543 -0.002569 -0.001753 1Rh 2dx2y2 0.000050 -0.003144 -0.002743 -0.002768 -0.003738 -0.001054 1Rh 2dxy 0.000383 -0.000908 -0.000217 -0.006588 0.007846 -0.003228 1Rh 3dz2 0.020974 0.026557 -0.012297 -0.018682 0.004394 0.017108 1Rh 3dxz -0.032407 0.038259 -0.021214 0.001220 -0.006379 -0.031259 1Rh 3dyz 0.002699 0.006091 -0.002261 -0.044182 -0.012371 -0.006609 1Rh 3dx2y2 -0.009051 -0.056620 0.029656 -0.005388 -0.016369 -0.006885 1Rh 3dxy -0.001779 -0.019255 0.014849 -0.013764 0.032436 -0.013859 1Rh 4dz2 -0.056085 -0.069954 0.049344 0.013537 -0.006701 -0.033405 1Rh 4dxz 0.086858 -0.100383 0.075975 0.001373 0.011513 0.055136 1Rh 4dyz -0.005621 -0.016383 0.013220 0.026123 0.024705 0.010283 1Rh 4dx2y2 0.024769 0.148462 -0.107606 -0.000708 0.030458 0.015776 1Rh 4dxy 0.005925 0.051272 -0.047344 0.000976 -0.058321 0.025535 1Rh 5dz2 0.127508 0.152344 -0.217692 0.222228 -0.012683 0.011570 1Rh 5dxz -0.201000 0.219815 -0.293915 -0.031624 0.003124 0.024498 1Rh 5dyz 0.001895 0.036188 -0.079694 0.575696 -0.015267 0.017944 1Rh 5dx2y2 -0.058584 -0.322852 0.425551 0.105685 -0.000542 -0.020156 1Rh 5dxy -0.019445 -0.114396 0.160620 0.245788 -0.019413 0.004141 1Rh 1f0 0.006170 -0.009660 0.005610 -0.007852 -0.030942 -0.002885 1Rh 1f+1 0.006958 0.007975 -0.006206 0.012432 -0.002000 0.013578 1Rh 1f-1 -0.009192 0.001597 -0.003783 -0.013271 -0.023604 0.048340 1Rh 1f+2 0.004657 0.011789 -0.005652 -0.008109 -0.026332 -0.039119 1Rh 1f-2 -0.002482 0.004706 -0.006089 0.027657 -0.036736 0.009828 1Rh 1f+3 -0.002078 0.014715 -0.008639 -0.003446 0.025711 0.016792 1Rh 1f-3 0.003175 0.009332 -0.006104 -0.016105 -0.014447 0.001276 2C 1s 0.000349 -0.000301 -0.001918 0.002669 0.001291 -0.004021 2C 2s 0.000811 -0.000601 0.000609 0.000056 0.000514 -0.002392 2C 3s -0.027442 0.015476 -0.208913 0.258006 0.083994 -0.234048 2C 4s 0.089723 -0.054720 1.270235 -1.495455 -0.511357 1.521478 2C 5s -0.482484 0.199150 -0.332946 0.481366 0.239018 -0.360672 2C 1pz -0.003639 0.001557 -0.029000 0.029257 0.004653 -0.018999 2C 1px 0.012773 -0.003298 -0.008938 0.009177 0.001544 -0.007068 2C 1py 0.004998 -0.000311 -0.017986 0.018527 0.004351 -0.011588 2C 2pz 0.057896 -0.017063 0.814978 -0.878903 -0.271987 0.914310 2C 2px -0.107132 0.003300 0.186728 -0.203561 -0.071242 0.226415 2C 2py -0.037745 -0.001270 0.550337 -0.591971 -0.192266 0.621109 2C 3pz -0.069671 0.024147 -0.010222 -0.022771 0.026526 0.033126 2C 3px -0.027256 0.005567 -0.082273 0.090577 0.032335 -0.032813 2C 3py -0.041173 0.016224 0.010169 -0.024806 -0.023106 0.020389 2C 1dz2 0.010931 -0.000782 0.017751 -0.025276 -0.008224 0.028040 2C 1dxz -0.019273 0.000830 0.017146 -0.014721 -0.002977 0.023749 2C 1dyz 0.003865 0.000158 0.027689 -0.038107 -0.015420 0.044371 2C 1dx2y2 -0.000956 0.001484 -0.011170 0.012989 0.005638 -0.014058 2C 1dxy -0.014110 0.000466 0.008034 -0.007561 -0.003457 0.013014 2C 2dz2 0.061789 -0.012127 0.182524 -0.207382 -0.040265 0.210696 2C 2dxz -0.111276 0.020535 0.062512 -0.051203 0.010415 0.074110 2C 2dyz 0.016674 -0.012390 0.301049 -0.333663 -0.118731 0.337892 2C 2dx2y2 -0.003443 -0.001459 -0.069796 0.076534 0.037748 -0.072433 2C 2dxy -0.059417 0.008594 0.058473 -0.050841 -0.025557 0.061729 2C 1f0 0.043957 -0.010440 0.003755 -0.016445 0.005172 0.011737 2C 1f+1 -0.032751 0.005213 0.021631 -0.027484 -0.002091 0.038310 2C 1f-1 0.019388 -0.005131 0.034553 -0.049957 -0.017586 0.043052 2C 1f+2 -0.028885 0.009743 -0.019445 0.039234 0.020966 -0.030553 2C 1f-2 -0.049607 0.009333 0.019141 -0.022362 -0.010494 0.026351 2C 1f+3 -0.029445 0.007755 0.011153 -0.004134 0.008717 0.013333 2C 1f-3 0.012816 -0.003581 0.007273 -0.015456 -0.018862 0.011535 3C 1s 0.000266 -0.000201 -0.001627 -0.002772 -0.004066 -0.001412 3C 2s 0.000561 -0.000410 0.000650 0.000017 -0.002426 -0.000490 3C 3s -0.012050 0.011890 -0.183196 -0.273292 -0.236701 -0.092292 3C 4s 0.050768 -0.040025 1.120749 1.588342 1.539330 0.552868 3C 5s -0.021976 0.160097 -0.291387 -0.489965 -0.344565 -0.256612 3C 1pz -0.003957 0.000918 -0.013370 -0.015242 -0.009002 -0.003385 3C 1px 0.005477 -0.003346 -0.010454 -0.014131 -0.008795 -0.003389 3C 1py 0.000520 -0.001209 0.026644 0.032960 0.020028 0.005362 3C 2pz 0.037545 -0.000265 0.436282 0.540618 0.542394 0.164497 3C 2px -0.045588 0.008801 0.280438 0.383799 0.370925 0.135732 3C 2py -0.014596 0.014185 -0.731899 -0.946445 -0.927456 -0.289623 3C 3pz 0.009254 0.015221 0.040829 0.083175 0.041437 0.037061 3C 3px -0.030128 0.004678 -0.036259 -0.051774 -0.008749 -0.009754 3C 3py -0.024380 -0.021718 0.034176 0.005585 -0.025650 0.033312 3C 1dz2 0.002368 -0.000267 -0.003965 -0.008102 -0.010315 -0.003054 3C 1dxz -0.005681 -0.001353 0.009449 0.015176 0.015499 0.008013 3C 1dyz -0.005511 0.000313 -0.019749 -0.032013 -0.036759 -0.012753 3C 1dx2y2 -0.005879 0.000517 -0.021305 -0.027485 -0.032586 -0.006584 3C 1dxy 0.010703 -0.001022 -0.015555 -0.027556 -0.029812 -0.011207 3C 2dz2 0.026981 -0.001533 -0.044749 -0.058934 -0.058920 -0.004569 3C 2dxz -0.040174 0.010213 0.066894 0.093500 0.086025 0.040947 3C 2dyz -0.029599 0.015258 -0.247764 -0.326614 -0.306610 -0.121129 3C 2dx2y2 -0.040916 0.007773 -0.155168 -0.196954 -0.200573 -0.027983 3C 2dxy 0.044735 -0.012484 -0.131789 -0.173612 -0.171367 -0.049628 3C 1f0 0.003384 -0.002033 -0.019548 -0.024229 -0.023147 0.000250 3C 1f+1 0.005652 -0.002201 0.002570 0.009100 0.005771 0.017465 3C 1f-1 -0.011145 0.004059 -0.004313 -0.001166 0.000498 -0.006684 3C 1f+2 -0.023524 0.010485 -0.018497 -0.035081 -0.026876 -0.019426 3C 1f-2 0.011723 -0.001393 -0.019043 -0.043977 -0.037570 -0.023405 3C 1f+3 -0.022692 0.007882 0.020474 0.042675 0.040336 0.018245 3C 1f-3 -0.031847 0.011772 -0.016714 -0.024211 -0.029260 0.004744 4C 1s 0.001394 0.000349 0.001349 -0.001827 -0.003358 0.011110 4C 2s 0.001853 0.000529 -0.001681 0.004221 -0.002327 0.007434 4C 3s 0.020819 0.000915 0.514850 -0.714128 -0.244051 0.797048 4C 4s -0.180915 -0.010678 -2.517794 3.327442 1.216958 -3.956155 4C 5s 0.150202 -0.106643 -0.399291 0.379786 0.130978 -0.701436 4C 1pz 0.014201 -0.018965 -0.040597 0.028959 0.020159 -0.048496 4C 1px -0.051913 0.054407 -0.006124 0.004848 0.007869 -0.008618 4C 1py -0.011541 0.009601 -0.025020 0.016780 0.001544 -0.033976 4C 2pz 0.096851 -0.033879 0.311509 -0.196986 0.068030 0.077917 4C 2px -0.346476 0.030371 0.090807 -0.048788 0.058789 0.063989 4C 2py -0.067438 -0.013568 0.208103 -0.114821 -0.167558 -0.013420 4C 3pz -0.256939 0.078126 -0.496916 0.505553 0.101457 -0.489663 4C 3px 0.125440 -0.087871 -0.052295 0.038936 -0.052541 -0.057046 4C 3py -0.115398 0.015580 -0.346042 0.334969 0.223270 -0.284681 4C 1dz2 0.016531 -0.009409 0.024620 -0.015276 0.012846 0.063289 4C 1dxz -0.026171 0.026426 0.029578 -0.040389 -0.012808 0.084029 4C 1dyz -0.000344 0.000891 0.001902 0.029715 -0.010062 -0.017537 4C 1dx2y2 -0.007926 -0.004436 -0.052338 0.066324 0.058383 -0.132614 4C 1dxy -0.028610 0.016411 -0.023933 0.032301 0.021316 -0.068306 4C 2dz2 0.152873 0.015484 -0.313143 0.297770 0.173638 -0.288711 4C 2dxz -0.205617 -0.011808 -0.083655 0.080647 0.036598 0.031690 4C 2dyz -0.000572 -0.000079 -0.581446 0.621296 0.168196 -0.737589 4C 2dx2y2 -0.055284 -0.005578 0.027523 0.034338 0.108624 -0.129355 4C 2dxy -0.179850 -0.013495 -0.174093 0.228292 0.104637 -0.297842 4C 1f0 -0.069615 0.025302 0.040759 -0.053610 -0.033811 0.096743 4C 1f+1 0.079984 -0.020261 0.042598 -0.100178 -0.112866 0.135255 4C 1f-1 -0.007891 -0.002299 0.012540 -0.033798 -0.002719 0.048445 4C 1f+2 0.058585 -0.027148 -0.048845 0.088668 0.073842 -0.141666 4C 1f-2 0.072611 -0.014428 -0.013461 -0.011033 0.073177 0.005962 4C 1f+3 0.095626 -0.032741 -0.014355 0.002973 -0.082726 -0.056809 4C 1f-3 0.039974 -0.013404 0.043672 -0.083661 0.046657 0.166306 5C 1s -0.000757 -0.000044 0.000979 0.002023 0.011089 0.003468 5C 2s -0.000751 -0.000005 -0.001707 -0.004112 0.007526 0.002445 5C 3s -0.020243 -0.002479 0.447456 0.750688 0.796511 0.254947 5C 4s 0.112836 0.021346 -2.188869 -3.520148 -3.959052 -1.275049 5C 5s 0.115155 -0.064050 -0.363528 -0.428603 -0.706253 -0.123380 5C 1pz 0.009982 -0.017748 -0.018999 -0.015725 -0.030660 0.001691 5C 1px -0.028450 0.053828 -0.016297 -0.013575 -0.017412 -0.009699 5C 1py -0.005640 0.009674 0.035819 0.031805 0.050100 0.020848 5C 2pz 0.085031 -0.023544 0.147551 0.085005 -0.036325 0.156665 5C 2px -0.164831 0.022897 0.103038 0.090911 0.034440 0.064665 5C 2py -0.074699 0.015834 -0.317617 -0.233627 -0.104510 0.080178 5C 3pz 0.026503 0.058497 -0.292172 -0.347088 -0.251893 -0.231064 5C 3px 0.136983 -0.065729 -0.166967 -0.168418 -0.159216 -0.058400 5C 3py -0.074466 -0.068847 0.440917 0.522888 0.463776 0.081921 5C 1dz2 0.002046 -0.010073 0.017623 0.044611 0.071731 0.052939 5C 1dxz -0.013867 0.012756 0.028957 0.037982 0.081494 0.036109 5C 1dyz -0.007376 0.011083 0.009327 0.043650 0.051587 -0.001200 5C 1dx2y2 -0.002005 0.011084 -0.043446 -0.061480 -0.131451 -0.020765 5C 1dxy 0.020138 -0.022629 -0.016581 -0.007967 -0.041208 -0.002435 5C 2dz2 0.039765 0.004945 0.165874 0.252388 0.317127 0.185615 5C 2dxz -0.096823 -0.013452 -0.094693 -0.076918 -0.021322 0.046330 5C 2dyz -0.066661 -0.010259 0.479026 0.634792 0.734146 0.188100 5C 2dx2y2 -0.041099 -0.007850 0.201499 0.206673 0.096373 0.102957 5C 2dxy 0.118070 0.022111 0.273251 0.307455 0.298315 0.082795 5C 1f0 -0.021495 0.020881 0.017367 0.031039 0.071407 -0.022243 5C 1f+1 0.005161 -0.012537 0.035230 0.069108 0.133984 -0.060343 5C 1f-1 0.011484 -0.003050 0.011480 -0.001808 0.006044 -0.053420 5C 1f+2 0.048355 -0.028839 -0.003976 -0.036981 -0.056688 0.065240 5C 1f-2 0.004834 -0.004726 -0.031874 -0.075536 -0.115185 -0.049938 5C 1f+3 0.057614 -0.033845 0.036976 0.084757 0.136142 0.035204 5C 1f-3 0.056603 -0.021237 -0.034467 -0.105686 -0.144223 -0.139557 6C 1s -0.000774 0.000052 0.000966 0.001806 -0.011150 -0.003446 6C 2s -0.000786 0.000014 -0.001715 -0.004279 -0.007454 -0.002568 6C 3s -0.019521 0.002719 0.446042 0.736145 -0.814214 -0.241392 6C 4s 0.110350 -0.023164 -2.182232 -3.446418 4.043408 1.214216 6C 5s 0.117915 0.065644 -0.364999 -0.412565 0.716761 0.118268 6C 1pz -0.010112 -0.017788 0.019113 0.014906 -0.030968 0.001763 6C 1px 0.028561 0.053991 0.015891 0.013369 -0.017939 -0.009361 6C 1py 0.005707 0.009674 -0.035657 -0.030938 0.050755 0.020596 6C 2pz -0.085935 -0.023306 -0.145253 -0.089774 -0.034993 0.156102 6C 2px 0.167403 0.021042 -0.102809 -0.091211 0.036934 0.064803 6C 2py 0.075238 0.015883 0.316492 0.230165 -0.107504 0.083476 6C 3pz -0.027001 0.059373 0.291961 0.344213 -0.263514 -0.225603 6C 3px -0.134390 -0.066258 0.167082 0.164302 -0.164286 -0.055381 6C 3py 0.074549 -0.069761 -0.443461 -0.511318 0.481596 0.074724 6C 1dz2 0.002094 0.010040 0.017235 0.043875 -0.072945 -0.052167 6C 1dxz -0.013991 -0.012629 0.028812 0.036721 -0.082447 -0.035651 6C 1dyz -0.007440 -0.011006 0.009415 0.042288 -0.052499 0.002204 6C 1dx2y2 -0.001883 -0.010988 -0.043306 -0.058643 0.132927 0.019899 6C 1dxy 0.020496 0.022558 -0.016705 -0.007017 0.041319 0.002371 6C 2dz2 0.039638 -0.005093 0.164895 0.248298 -0.323473 -0.181534 6C 2dxz -0.096701 0.013895 -0.094774 -0.075934 0.022354 -0.047347 6C 2dyz -0.066473 0.010716 0.477526 0.620112 -0.748965 -0.177978 6C 2dx2y2 -0.041486 0.007989 0.199480 0.206158 -0.100107 -0.100687 6C 2dxy 0.118384 -0.022602 0.272548 0.302537 -0.304968 -0.078086 6C 1f0 0.021710 0.020864 -0.017689 -0.028705 0.072281 -0.022679 6C 1f+1 -0.005239 -0.012454 -0.035855 -0.064483 0.135431 -0.061964 6C 1f-1 -0.011483 -0.003128 -0.011729 0.003079 0.005686 -0.053630 6C 1f+2 -0.048474 -0.028831 0.004671 0.034147 -0.057512 0.065869 6C 1f-2 -0.004816 -0.004447 0.031521 0.073703 -0.116959 -0.048339 6C 1f+3 -0.057664 -0.033854 -0.036745 -0.082129 0.137905 0.032989 6C 1f-3 -0.056313 -0.021201 0.033679 0.104882 -0.147105 -0.137950 7C 1s 0.001430 -0.000355 0.001261 -0.001473 0.003387 -0.011182 7C 2s 0.001914 -0.000538 -0.001732 0.004474 0.002205 -0.007355 7C 3s 0.020145 -0.001157 0.507777 -0.689033 0.259483 -0.818031 7C 4s -0.179923 0.011854 -2.483110 3.201738 -1.287038 4.056288 7C 5s 0.152929 0.109175 -0.394333 0.360745 -0.142793 0.712674 7C 1pz -0.014199 -0.019119 0.039933 -0.027199 0.020689 -0.049348 7C 1px 0.052051 0.054712 0.006291 -0.004319 0.007641 -0.008743 7C 1py 0.011560 0.009590 0.024960 -0.016057 0.001834 -0.034901 7C 2pz -0.097597 -0.033586 -0.307803 0.194783 0.066100 0.084062 7C 2px 0.350622 0.030054 -0.089330 0.048337 0.057460 0.065422 7C 2py 0.068465 -0.013667 -0.210358 0.114502 -0.169210 -0.008333 7C 3pz 0.258812 0.079573 0.493733 -0.492340 0.116129 -0.506672 7C 3px -0.125798 -0.088902 0.051611 -0.037086 -0.051432 -0.057834 7C 3py 0.117599 0.016268 0.343620 -0.321864 0.232925 -0.295667 7C 1dz2 0.016766 0.009296 0.024061 -0.013964 -0.012316 -0.064197 7C 1dxz -0.026359 -0.026467 0.028829 -0.038034 0.013740 -0.085472 7C 1dyz -0.000390 -0.000928 0.002191 0.029413 0.009231 0.018289 7C 1dx2y2 -0.008165 0.004615 -0.051323 0.061756 -0.059949 0.134471 7C 1dxy -0.028809 -0.016406 -0.023527 0.030123 -0.021857 0.069369 7C 2dz2 0.153968 -0.015367 -0.308294 0.284207 -0.178597 0.294500 7C 2dxz -0.206202 0.011919 -0.082097 0.079559 -0.037834 -0.030613 7C 2dyz 0.000287 0.000470 -0.575541 0.600779 -0.182438 0.758709 7C 2dx2y2 -0.055269 0.005563 0.029833 0.026862 -0.109512 0.127564 7C 2dxy -0.181429 0.013495 -0.171465 0.218800 -0.109425 0.305169 7C 1f0 0.069471 0.025462 -0.039508 0.050087 -0.035358 0.097662 7C 1f+1 -0.080058 -0.020376 -0.041418 0.093934 -0.114691 0.137438 7C 1f-1 0.007914 -0.002141 -0.012168 0.032596 -0.003179 0.049544 7C 1f+2 -0.058744 -0.027234 0.048129 -0.084101 0.076246 -0.144161 7C 1f-2 -0.072755 -0.014732 0.013917 0.012179 0.072893 0.006487 7C 1f+3 -0.096337 -0.032990 0.013919 -0.003535 -0.082399 -0.057739 7C 1f-3 -0.040217 -0.013357 -0.042094 0.080729 0.044352 0.169357 8C 1s 0.000268 0.000207 -0.001619 -0.002699 0.004131 0.001358 8C 2s 0.000569 0.000421 0.000648 0.000069 0.002425 0.000486 8C 3s -0.012535 -0.012257 -0.182248 -0.269331 0.242824 0.087368 8C 4s 0.052736 0.041394 1.115110 1.561624 -1.574496 -0.525478 8C 5s -0.026130 -0.163754 -0.291144 -0.484645 0.361644 0.246142 8C 1pz 0.003957 0.000917 0.013335 0.015140 -0.009314 -0.003179 8C 1px -0.005474 -0.003315 0.010454 0.014059 -0.009176 -0.003194 8C 1py -0.000526 -0.001229 -0.026534 -0.032516 0.020725 0.004852 8C 2pz -0.037736 -0.000343 -0.434367 -0.530717 0.553605 0.156278 8C 2px 0.045231 0.008226 -0.279203 -0.378045 0.380320 0.129997 8C 2py 0.014806 0.014675 0.729107 0.929340 -0.948381 -0.274447 8C 3pz -0.008344 0.015403 -0.039820 -0.082507 0.042584 0.035370 8C 3px 0.029517 0.004879 0.037560 0.053498 -0.011418 -0.009337 8C 3py 0.023997 -0.022168 -0.033735 -0.005430 -0.024734 0.032967 8C 1dz2 0.002370 0.000285 -0.003952 -0.007911 0.010508 0.002903 8C 1dxz -0.005640 0.001346 0.009409 0.014958 -0.015876 -0.007844 8C 1dyz -0.005570 -0.000341 -0.019661 -0.031405 0.037458 0.012122 8C 1dx2y2 -0.005886 -0.000556 -0.021170 -0.026757 0.033048 0.006056 8C 1dxy 0.010719 0.001022 -0.015519 -0.027089 0.030526 0.010807 8C 2dz2 0.026621 0.001378 -0.044975 -0.057822 0.060731 0.003847 8C 2dxz -0.040238 -0.010212 0.066273 0.091748 -0.087485 -0.039660 8C 2dyz -0.029656 -0.015575 -0.246743 -0.321649 0.314272 0.115769 8C 2dx2y2 -0.040832 -0.007851 -0.154933 -0.192978 0.204945 0.025116 8C 2dxy 0.044418 0.012389 -0.131070 -0.169967 0.174939 0.046826 8C 1f0 -0.003441 -0.002047 0.019528 0.023603 -0.023660 0.000622 8C 1f+1 -0.005700 -0.002214 -0.002516 -0.009300 0.006045 0.017131 8C 1f-1 0.011099 0.004092 0.004237 0.001354 0.000494 -0.006682 8C 1f+2 0.023590 0.010554 0.018275 0.034743 -0.027546 -0.018552 8C 1f-2 -0.011563 -0.001339 0.018859 0.043600 -0.038686 -0.022570 8C 1f+3 0.022469 0.007798 -0.020428 -0.042031 0.041415 0.017502 8C 1f-3 0.031898 0.011864 0.016640 0.023382 -0.029666 0.005372 9C 1s 0.000366 0.000312 -0.001888 0.002545 -0.001340 0.004097 9C 2s 0.000836 0.000617 0.000620 -0.000009 -0.000527 0.002383 9C 3s -0.027745 -0.015624 -0.206472 0.250194 -0.088335 0.241873 9C 4s 0.089801 0.054708 1.254896 -1.445899 0.537827 -1.566990 9C 5s -0.490195 -0.203905 -0.329321 0.466060 -0.247005 0.376960 9C 1pz 0.003603 0.001535 0.028640 -0.028531 0.005201 -0.019798 9C 1px -0.012744 -0.003311 0.008830 -0.008921 0.001709 -0.007317 9C 1py -0.005046 -0.000305 0.018072 -0.018351 0.004808 -0.012324 9C 2pz -0.056790 -0.016310 -0.804188 0.848163 -0.288926 0.939487 9C 2px 0.106634 0.003249 -0.183703 0.195356 -0.074782 0.231820 9C 2py 0.037798 -0.001523 -0.546825 0.575610 -0.205824 0.642642 9C 3pz 0.070677 0.024652 0.008952 0.024823 0.025951 0.034222 9C 3px 0.027570 0.005806 0.082593 -0.090021 0.034579 -0.036060 9C 3py 0.041849 0.016733 -0.007182 0.020826 -0.023010 0.019287 9C 1dz2 0.010925 0.000818 0.017253 -0.024137 0.008641 -0.028487 9C 1dxz -0.019385 -0.000850 0.016884 -0.013984 0.003306 -0.024083 9C 1dyz 0.003865 -0.000185 0.027394 -0.036817 0.016155 -0.045698 9C 1dx2y2 -0.000938 -0.001449 -0.011161 0.012636 -0.006007 0.014626 9C 1dxy -0.014187 -0.000579 0.008010 -0.007273 0.003671 -0.013307 9C 2dz2 0.061820 0.012212 0.179528 -0.200775 0.044450 -0.216356 9C 2dxz -0.111727 -0.020849 0.060733 -0.048619 -0.009618 -0.074169 9C 2dyz 0.016564 0.012390 0.298242 -0.323099 0.125476 -0.348959 9C 2dx2y2 -0.003117 0.001571 -0.069749 0.074390 -0.040002 0.075229 9C 2dxy -0.059855 -0.008785 0.057853 -0.048366 0.026286 -0.063276 9C 1f0 -0.043785 -0.010529 -0.003281 0.015912 0.005176 0.011895 9C 1f+1 0.032464 0.005189 -0.021137 0.026423 -0.002509 0.038946 9C 1f-1 -0.019589 -0.005193 -0.034066 0.048405 -0.018282 0.044495 9C 1f+2 0.028892 0.009814 0.019262 -0.038303 0.021490 -0.031997 9C 1f-2 0.050017 0.009508 -0.019000 0.021443 -0.010709 0.027028 9C 1f+3 0.029991 0.007887 -0.011036 0.004051 0.008492 0.013562 9C 1f-3 -0.012791 -0.003614 -0.007450 0.014831 -0.019039 0.012273 10H 1s -0.027750 0.010710 -0.005070 0.013305 0.011927 -0.004694 10H 2s -0.005609 0.004076 0.008494 0.036048 0.024662 -0.029349 10H 3s 0.050038 -0.030104 0.085862 -0.160125 -0.053097 0.104240 10H 1pz 0.003701 -0.002618 0.006109 -0.000830 0.005206 0.003693 10H 1px 0.013389 -0.003814 -0.002956 -0.012754 -0.008327 0.006093 10H 1py 0.001547 -0.002228 0.002296 -0.001988 -0.000588 0.000766 11H 1s -0.002911 0.003020 0.014200 -0.012302 -0.003892 0.014599 11H 2s 0.043925 -0.022017 0.007945 0.003623 -0.033265 0.000232 11H 3s 0.046971 -0.023356 -0.026888 -0.019536 -0.017035 0.039179 11H 1pz 0.004471 -0.001795 -0.015614 0.020623 -0.000265 -0.020450 11H 1px 0.004671 -0.001255 0.007218 -0.004333 -0.003747 0.004572 11H 1py -0.005248 0.001349 -0.017923 0.016394 0.008890 -0.017867 12H 1s -0.004789 0.002777 0.006050 -0.006016 0.008779 0.008509 12H 2s 0.007972 -0.012047 0.021724 -0.003689 0.004551 0.023212 12H 3s 0.070263 -0.025319 0.005697 -0.056596 -0.034081 0.050677 12H 1pz -0.005438 0.000790 -0.015541 0.014452 0.002713 -0.014672 12H 1px -0.000654 0.000305 0.007916 -0.005835 -0.002576 0.007452 12H 1py -0.002936 0.001911 0.001545 0.004468 0.007742 0.001346 13H 1s -0.014195 0.008644 -0.005352 -0.009790 -0.004793 -0.012856 13H 2s -0.006637 0.003228 0.017468 -0.029367 -0.016746 -0.025823 13H 3s 0.033572 -0.019465 0.057052 0.156019 0.092780 0.059329 13H 1pz -0.000091 -0.000716 0.004744 -0.004675 -0.001751 -0.005676 13H 1px 0.008906 -0.002635 -0.004232 0.007291 0.002753 0.007657 13H 1py -0.002092 0.002976 -0.005266 -0.003665 -0.005337 0.003603 14H 1s 0.005650 0.001416 0.005943 0.002609 0.007877 -0.013243 14H 2s 0.026631 -0.007071 0.027659 0.001518 0.016314 -0.006180 14H 3s -0.009006 -0.019427 0.013997 0.072518 0.060835 0.039536 14H 1pz 0.002688 0.002526 -0.000644 -0.007047 -0.002921 -0.008528 14H 1px 0.005058 0.002178 0.011984 0.004775 0.009185 -0.003649 14H 1py 0.004141 -0.001812 0.010166 0.008613 0.009345 0.000152 15H 1s -0.005392 0.002270 0.014314 0.016182 0.017253 0.002012 15H 2s -0.000238 -0.016664 0.001660 -0.007020 -0.015048 0.033184 15H 3s 0.021988 -0.019250 -0.028944 0.006851 0.040554 0.017917 15H 1pz -0.000405 0.000828 -0.019520 -0.021355 -0.020422 -0.009082 15H 1px 0.001980 0.000213 -0.002606 -0.005090 -0.006111 -0.001998 15H 1py 0.002100 0.002079 0.014568 0.022479 0.023983 0.000438 16H 1s -0.006687 -0.001484 0.104148 -0.019483 0.005221 -0.013238 16H 2s 0.049831 0.056585 0.186745 -0.025708 -0.023245 0.009025 16H 3s 0.060233 0.008077 -0.049495 -0.025408 -0.005834 0.031729 16H 1pz 0.013377 0.015332 0.123628 -0.014067 -0.002676 -0.016236 16H 1px -0.049309 -0.000877 -0.011991 0.000539 -0.001404 0.001590 16H 1py -0.022430 0.008966 0.077085 -0.006077 0.003212 -0.011886 17H 1s -0.015691 -0.002450 0.100260 0.020080 0.012197 -0.005143 17H 2s -0.041861 0.058642 0.180274 0.030814 -0.019419 0.014084 17H 3s -0.036291 0.006803 -0.054767 0.017788 -0.025247 -0.007756 17H 1pz -0.000252 -0.008833 -0.071985 -0.011311 -0.003747 -0.004406 17H 1px 0.044219 -0.011972 -0.080932 -0.010707 -0.005958 -0.005285 17H 1py 0.011997 0.011201 0.095409 0.012385 0.013080 0.001689 18H 1s -0.016087 0.002452 0.100435 0.018889 -0.011315 0.006752 18H 2s -0.038458 -0.058815 0.180765 0.029963 0.018766 -0.013912 18H 3s -0.037468 -0.006783 -0.054901 0.017634 0.024202 0.008658 18H 1pz 0.001689 -0.009115 0.074549 0.010939 -0.003592 -0.003984 18H 1px -0.044103 -0.012018 0.081585 0.010115 -0.005654 -0.005108 18H 1py -0.012812 0.010916 -0.093318 -0.011412 0.012550 0.001133 19H 1s -0.006625 0.001286 0.104237 -0.020433 -0.002997 0.013082 19H 2s 0.053593 -0.057049 0.186816 -0.026295 0.024889 -0.010892 19H 3s 0.059173 -0.007980 -0.049736 -0.024565 0.006800 -0.031932 19H 1pz -0.014994 0.015514 -0.122034 0.015072 -0.004014 -0.015480 19H 1px 0.048705 -0.000976 0.013174 -0.000743 -0.001359 0.001624 19H 1py 0.022164 0.009238 -0.079753 0.006893 0.002114 -0.011715 20H 1s -0.005475 -0.002317 0.014210 0.015660 -0.017534 -0.001880 20H 2s -0.000249 0.017095 0.001801 -0.005746 0.014457 -0.033237 20H 3s 0.023011 0.019716 -0.028806 0.006565 -0.041016 -0.017362 20H 1pz 0.000351 0.000861 0.019442 0.020978 -0.020917 -0.008778 20H 1px -0.001948 0.000170 0.002395 0.004782 -0.006006 -0.001858 20H 1py -0.002133 0.002119 -0.014447 -0.021797 0.024260 0.000003 21H 1s 0.005452 -0.001507 0.006167 0.002386 -0.008079 0.013023 21H 2s 0.026813 0.007443 0.027480 0.001253 -0.016546 0.005880 21H 3s -0.008365 0.019955 0.012868 0.070304 -0.062178 -0.037351 21H 1pz -0.002735 0.002491 0.000624 0.007186 -0.003143 -0.008434 21H 1px -0.004989 0.002108 -0.011925 -0.004567 0.009294 -0.003498 21H 1py -0.004115 -0.001759 -0.010420 -0.008736 0.009872 0.000146 22H 1s -0.014321 -0.008783 -0.005324 -0.010090 0.005230 0.012418 22H 2s -0.006726 -0.003316 0.017562 -0.029750 0.018294 0.024890 22H 3s 0.033789 0.019967 0.057068 0.155628 -0.097374 -0.056134 22H 1pz 0.000115 -0.000681 -0.004782 0.004687 -0.001954 -0.005294 22H 1px -0.008991 -0.002700 0.004200 -0.007618 0.003210 0.007430 22H 1py 0.001996 0.002934 0.005381 0.003474 -0.005386 0.003651 23H 1s -0.005164 -0.002855 0.006335 -0.006373 -0.008043 -0.009015 23H 2s 0.009174 0.012863 0.020923 -0.003503 -0.004345 -0.023800 23H 3s 0.071150 0.025848 0.003444 -0.052194 0.034262 -0.051255 23H 1pz 0.005314 0.000740 0.015857 -0.014575 0.003277 -0.015733 23H 1px 0.000494 0.000200 -0.007696 0.005560 -0.002903 0.007490 23H 1py 0.002755 0.001678 -0.001304 -0.004390 0.007663 0.001191 24H 1s -0.002964 -0.003095 0.013848 -0.011589 0.004493 -0.014625 24H 2s 0.044475 0.022164 0.008454 0.004367 0.032777 -0.001213 24H 3s 0.047865 0.024029 -0.026530 -0.019319 0.016873 -0.040062 24H 1pz -0.004436 -0.001714 0.015187 -0.019881 0.000069 -0.020679 24H 1px -0.004848 -0.001265 -0.007465 0.004305 -0.004053 0.005112 24H 1py 0.005236 0.001289 0.017532 -0.015483 0.009208 -0.018119 25H 1s -0.028147 -0.010917 -0.005081 0.013013 -0.011693 0.005352 25H 2s -0.005932 -0.004139 0.008471 0.035021 -0.025028 0.030763 25H 3s 0.051246 0.030793 0.085437 -0.157215 0.055877 -0.109494 25H 1pz -0.003496 -0.002576 -0.006108 0.000792 0.005033 0.003697 25H 1px -0.013563 -0.003906 0.002883 0.012531 -0.008253 0.006665 25H 1py -0.001753 -0.002302 -0.002384 0.002292 -0.000964 0.001036 26O 1s -0.000380 0.001602 0.000146 0.001111 -0.000968 0.002910 26O 2s -0.000364 0.005228 0.000895 0.002045 -0.003638 0.011081 26O 3s -0.020212 -0.065605 -0.020376 0.018782 0.064661 -0.198005 26O 4s 0.110622 0.238063 -0.137542 0.028622 -0.175946 0.508800 26O 5s 0.423026 -0.369032 1.402528 -1.513645 -0.307934 1.092416 26O 1pz 0.005893 -0.008267 -0.019881 0.020569 0.026187 -0.018926 26O 1px 0.012935 -0.001896 0.046755 -0.052837 -0.006568 0.068167 26O 1py 0.004991 -0.006647 0.005368 -0.010387 -0.036905 -0.000750 26O 2pz -0.095087 0.067513 0.041328 -0.025462 -0.077489 -0.001847 26O 2px -0.153294 -0.015939 -0.265261 0.386591 0.122589 -0.574709 26O 2py -0.104943 0.037975 -0.076111 0.141691 0.196877 -0.160825 26O 3pz 0.227555 -0.197938 0.517184 -0.468415 -0.004131 0.252204 26O 3px -0.326483 0.181250 -0.195194 0.313262 0.182654 -0.435107 26O 3py -0.029181 -0.054811 0.240484 -0.175447 -0.093130 -0.049586 26O 1dz2 -0.067575 0.073620 -0.206975 0.197244 0.015419 -0.264681 26O 1dxz 0.367784 -0.258401 0.189569 -0.220961 -0.163200 0.209038 26O 1dyz -0.110633 0.180907 -0.338465 0.289805 0.096786 -0.350958 26O 1dx2y2 -0.256332 0.199221 -0.083388 0.078565 -0.095934 -0.098818 26O 1dxy 0.020190 0.039483 -0.036253 0.004352 0.091570 0.040097 26O 2dz2 0.017692 -0.043412 0.124142 -0.090779 0.032523 0.094530 26O 2dxz -0.195936 0.159213 -0.173916 0.193854 0.165779 -0.180949 26O 2dyz 0.104014 -0.135115 0.268284 -0.232435 -0.070786 0.268364 26O 2dx2y2 0.190901 -0.141271 0.131955 -0.158641 0.076004 0.254428 26O 2dxy 0.052548 -0.047270 0.072950 -0.081624 -0.156500 0.077174 26O 1f0 0.035294 -0.015411 -0.025417 0.034129 0.018415 -0.022787 26O 1f+1 0.018021 0.004235 0.012192 -0.019744 -0.038202 0.048649 26O 1f-1 0.060271 -0.036264 0.023760 -0.035496 -0.060908 0.075781 26O 1f+2 -0.046933 -0.003354 0.041769 -0.037786 -0.063622 -0.000295 26O 1f-2 -0.039993 0.034297 0.002495 -0.026505 -0.025587 0.025793 26O 1f+3 -0.010464 -0.012309 0.044801 -0.049317 0.078975 0.109114 26O 1f-3 0.055623 -0.035691 0.029978 -0.021598 -0.040874 0.057194 27O 1s -0.000107 0.001514 0.000112 -0.000989 0.002826 0.000942 27O 2s -0.000218 0.004917 0.000697 -0.001662 0.010727 0.003524 27O 3s -0.001910 -0.060602 -0.016180 -0.022378 -0.194355 -0.061481 27O 4s 0.016189 0.222388 -0.125774 -0.046830 0.510416 0.148190 27O 5s 0.071211 -0.372800 1.267770 1.617969 1.091748 0.347116 27O 1pz 0.003696 -0.006248 -0.016231 -0.021810 -0.032891 0.026435 27O 1px 0.003922 -0.004634 0.041184 0.057105 0.059801 0.028015 27O 1py 0.005874 0.009286 0.008859 0.012142 0.007165 0.028412 27O 2pz -0.030900 0.047680 0.049123 0.071264 0.115293 -0.107163 27O 2px -0.045458 0.003216 -0.238160 -0.421519 -0.574033 -0.208925 27O 2py 0.019087 -0.066956 0.006762 0.029520 0.087466 -0.077807 27O 3pz 0.149429 -0.138591 0.317635 0.363237 0.163384 0.174754 27O 3px -0.095757 0.169100 -0.120912 -0.254339 -0.444639 -0.101155 27O 3py -0.041147 0.158180 -0.425007 -0.438076 -0.173260 0.011815 27O 1dz2 0.032721 -0.121658 0.102777 0.092388 0.091215 0.003486 27O 1dxz 0.139779 -0.177068 0.106311 0.126536 0.165361 -0.109986 27O 1dyz 0.163276 -0.282088 0.358243 0.408110 0.416860 0.189903 27O 1dx2y2 -0.075032 0.059621 0.073490 0.113811 0.157722 -0.028156 27O 1dxy -0.136921 0.123288 -0.031069 -0.061523 -0.064648 -0.099211 27O 2dz2 -0.033740 0.097826 -0.117738 -0.145007 -0.179667 -0.037371 27O 2dxz -0.084120 0.110984 -0.105834 -0.146249 -0.203587 0.124540 27O 2dyz -0.114762 0.196739 -0.291341 -0.330585 -0.318943 -0.165506 27O 2dx2y2 0.055045 -0.054689 -0.001011 0.031284 0.060991 0.107650 27O 2dxy 0.057428 -0.060064 0.014206 0.032620 0.006815 0.111249 27O 1f0 -0.017770 0.021129 -0.034604 -0.064723 -0.100212 0.030503 27O 1f+1 0.017000 -0.028986 0.022357 0.021025 0.049179 0.014057 27O 1f-1 -0.001991 0.024155 -0.009755 -0.003058 -0.027831 0.032557 27O 1f+2 -0.019160 0.020672 0.016897 0.030180 0.018355 -0.064032 27O 1f-2 -0.001620 -0.030535 0.025066 0.005712 -0.022399 0.045349 27O 1f+3 0.007428 -0.014965 0.024748 0.056622 0.080643 0.095942 27O 1f-3 -0.043964 0.034644 0.005508 0.033696 -0.013833 0.041977 28O 1s -0.000032 -0.001290 0.000067 0.001043 -0.000842 0.002914 28O 2s -0.000375 -0.004187 0.000734 0.001849 -0.003154 0.011017 28O 3s 0.016148 0.051117 -0.022178 0.020140 0.057733 -0.200741 28O 4s -0.073007 -0.199291 -0.116254 0.040506 -0.153160 0.542429 28O 5s -0.190016 0.368964 1.397386 -1.502223 -0.332868 1.074435 28O 1pz -0.003108 0.011142 0.016093 -0.017872 0.016056 0.026788 28O 1px 0.005089 -0.001295 -0.046696 0.052670 0.031721 -0.057980 28O 1py 0.005219 0.005305 -0.007223 0.010742 -0.030677 -0.020017 28O 2pz 0.110416 -0.065720 -0.149170 0.218894 0.014783 -0.368001 28O 2px -0.050515 -0.021316 0.241330 -0.334825 -0.197750 0.471671 28O 2py 0.030140 -0.044172 -0.001601 0.000964 0.139421 0.010134 28O 3pz -0.040213 0.048809 0.305703 -0.202284 0.104149 -0.108658 28O 3px -0.311172 0.236018 0.363881 -0.422302 -0.098022 0.488781 28O 3py -0.084730 0.122637 0.343086 -0.293622 -0.132257 0.079562 28O 1dz2 -0.171977 0.086656 -0.011405 0.005624 -0.123651 -0.011408 28O 1dxz 0.059159 -0.014256 -0.088205 0.119439 0.062535 -0.150215 28O 1dyz 0.097808 -0.176917 -0.291939 0.266175 0.185399 -0.261579 28O 1dx2y2 0.297601 -0.212429 -0.116572 0.093384 0.030081 -0.113925 28O 1dxy 0.315313 -0.257408 -0.250547 0.254414 -0.023900 -0.319110 28O 2dz2 0.073506 -0.041411 0.010629 0.002431 0.147575 0.020469 28O 2dxz 0.004955 -0.018863 0.003721 0.012024 -0.007339 -0.068246 28O 2dyz -0.099273 0.133844 0.244313 -0.220262 -0.183230 0.207504 28O 2dx2y2 -0.199968 0.151663 0.144066 -0.162459 -0.075387 0.218817 28O 2dxy -0.187262 0.167592 0.201474 -0.209118 0.067985 0.253119 28O 1f0 0.009620 -0.006940 0.008874 -0.025237 -0.079610 0.012052 28O 1f+1 -0.055974 0.034863 -0.004674 0.027025 0.055840 0.032936 28O 1f-1 -0.014148 -0.006430 -0.008197 -0.021351 0.002155 0.049723 28O 1f+2 0.049176 -0.037048 -0.032963 0.046915 0.006580 -0.097695 28O 1f-2 -0.055805 0.047071 0.017330 0.004559 -0.086351 0.018701 28O 1f+3 -0.009431 -0.008760 -0.029348 0.040160 0.014443 -0.038207 28O 1f-3 -0.011994 -0.020759 -0.034333 0.041624 -0.039692 -0.040190 29O 1s 0.000375 -0.001568 -0.004825 -0.000117 -0.000601 0.000491 29O 2s 0.001235 -0.004754 -0.015673 -0.000335 -0.001770 0.001502 29O 3s -0.016078 0.055429 0.219440 0.004169 0.021419 -0.018982 29O 4s 0.037828 -0.092790 -0.496627 -0.009458 -0.056602 0.049541 29O 5s -0.029350 -0.020165 0.030745 0.005171 0.086268 -0.062007 29O 1pz 0.000175 0.005595 -0.005123 0.004690 0.003232 0.008525 29O 1px -0.004275 -0.016217 0.003758 0.001166 0.002853 0.000826 29O 1py 0.002341 -0.003248 -0.033520 -0.000627 -0.005421 0.003078 29O 2pz 0.004019 -0.011397 0.054971 -0.030286 -0.016073 -0.043547 29O 2px 0.018463 0.035088 -0.094651 -0.012099 -0.015572 -0.005795 29O 2py -0.013644 0.021542 0.190700 0.004928 0.023066 -0.013083 29O 3pz 0.111638 -0.002017 0.012253 -0.030736 0.023108 0.085029 29O 3px 0.031166 0.020477 -0.020216 -0.009277 0.028009 0.023302 29O 3py 0.010924 0.039595 -0.004469 0.002091 -0.087066 0.039504 29O 1dz2 -0.079956 -0.015995 0.026575 -0.016235 -0.010585 -0.012018 29O 1dxz 0.161577 -0.048096 -0.037284 0.014759 -0.001150 0.028376 29O 1dyz 0.124477 -0.010977 -0.008338 -0.010895 0.019982 0.019226 29O 1dx2y2 0.059092 0.093101 0.141989 0.018094 0.027715 0.003739 29O 1dxy 0.068171 0.018662 -0.000945 -0.004036 -0.023215 0.022258 29O 2dz2 0.058688 0.011796 -0.088370 0.021537 0.007536 0.019258 29O 2dxz -0.117946 0.040578 -0.016253 -0.021288 -0.005119 -0.025745 29O 2dyz -0.106341 0.008926 -0.003190 0.024164 -0.011684 -0.006670 29O 2dx2y2 -0.044952 -0.082064 -0.105641 -0.016981 -0.023276 -0.005070 29O 2dxy -0.059295 -0.012370 0.054509 0.010775 0.023472 -0.016843 29O 1f0 -0.019549 0.009008 0.103334 -0.002152 0.005451 -0.005309 29O 1f+1 0.022000 -0.005292 -0.048071 -0.000970 -0.002982 0.002948 29O 1f-1 -0.006849 0.006389 0.088186 -0.012858 0.002634 -0.006312 29O 1f+2 -0.025146 -0.005846 -0.058760 0.000572 -0.001964 0.002150 29O 1f-2 0.009753 0.001832 0.049497 0.019642 0.003902 -0.002030 29O 1f+3 0.018328 -0.005818 -0.046201 -0.006021 0.000880 -0.000387 29O 1f-3 -0.007444 -0.004644 -0.042211 -0.011081 -0.004756 0.001948 30O 1s 0.000132 -0.001424 0.000208 -0.001083 0.003057 0.000684 30O 2s -0.000016 -0.004691 0.000929 -0.001947 0.011462 0.002810 30O 3s 0.014645 0.059008 -0.017752 -0.020830 -0.204019 -0.057263 30O 4s -0.070652 -0.225296 -0.132930 -0.045246 0.533203 0.165806 30O 5s -0.273155 0.369020 1.251017 1.634342 1.072232 0.362175 30O 1pz -0.009511 0.004982 0.009399 0.017856 0.011773 0.040600 30O 1px 0.003922 0.000330 -0.041983 -0.056710 -0.066560 -0.011580 30O 1py 0.002140 -0.009158 -0.006921 -0.011794 -0.017987 0.019037 30O 2pz 0.086161 -0.028014 -0.086009 -0.187140 -0.237203 -0.224073 30O 2px -0.046213 -0.038651 0.199933 0.338414 0.470059 0.116135 30O 2py -0.077817 0.057392 0.087563 0.183813 0.289589 0.000172 30O 3pz -0.033849 0.014238 0.179700 0.104851 -0.148316 0.065309 30O 3px -0.240141 0.250501 0.381555 0.532333 0.475634 0.178998 30O 3py -0.041334 -0.084165 -0.339257 -0.289123 0.016106 0.091163 30O 1dz2 -0.109998 0.225324 0.194374 0.220373 0.262937 -0.076132 30O 1dxz 0.007396 0.030120 -0.063373 -0.071516 -0.095356 0.036097 30O 1dyz -0.057153 0.159848 0.240043 0.225673 0.219541 0.103162 30O 1dx2y2 0.217982 -0.227885 -0.068483 -0.107052 -0.094309 -0.096309 30O 1dxy -0.085454 0.145283 0.214186 0.264409 0.289045 0.163946 30O 2dz2 0.077365 -0.156106 -0.182004 -0.213911 -0.269614 0.102002 30O 2dxz 0.013563 -0.032715 0.011240 -0.028259 -0.056148 -0.105128 30O 2dyz 0.073742 -0.131464 -0.215027 -0.234409 -0.246435 -0.122770 30O 2dx2y2 -0.130784 0.146050 0.088294 0.140785 0.157260 0.111778 30O 2dxy 0.022280 -0.081148 -0.133178 -0.131556 -0.085537 -0.120365 30O 1f0 -0.004396 0.014960 0.023381 0.012887 0.018846 -0.023705 30O 1f+1 0.007402 -0.019878 -0.038783 -0.039953 -0.048879 0.066211 30O 1f-1 -0.014419 0.015642 -0.003536 -0.009153 -0.027794 0.088124 30O 1f+2 -0.001003 -0.002793 -0.022895 -0.053400 -0.077949 -0.049014 30O 1f-2 0.041578 -0.059967 -0.025860 -0.026950 -0.087797 -0.032200 30O 1f+3 -0.045596 0.014922 -0.028088 -0.036732 0.005386 -0.040440 30O 1f-3 0.011220 0.007993 -0.007210 -0.019742 -0.047285 0.001594 31O 1s 0.000121 0.001429 0.000207 -0.001145 -0.003030 -0.000717 31O 2s -0.000057 0.004710 0.000925 -0.002175 -0.011417 -0.002883 31O 3s 0.015194 -0.059360 -0.017631 -0.016888 0.204620 0.057184 31O 4s -0.071844 0.226643 -0.133368 -0.055262 -0.532557 -0.165872 31O 5s -0.274422 -0.368373 1.251027 1.612317 -1.115207 -0.337835 31O 1pz 0.009599 0.005028 -0.009206 -0.018423 0.012329 0.040463 31O 1px -0.004080 0.000337 0.041941 0.055167 -0.067903 -0.010791 31O 1py -0.002240 -0.009151 0.007168 0.010919 -0.018242 0.019181 31O 2pz -0.086417 -0.027844 0.084984 0.185800 -0.242473 -0.221223 31O 2px 0.046860 -0.039091 -0.199416 -0.328455 0.478256 0.110487 31O 2py 0.078091 0.057084 -0.088257 -0.176277 0.294204 -0.002994 31O 3pz 0.032026 0.014982 -0.178047 -0.110290 -0.146824 0.063850 31O 3px 0.240452 0.249772 -0.381577 -0.523156 0.489937 0.170795 31O 3py 0.042108 -0.085377 0.338835 0.287970 0.009436 0.094511 31O 1dz2 -0.110177 -0.225192 0.194939 0.212330 -0.268056 0.079421 31O 1dxz 0.006472 -0.030629 -0.063237 -0.068545 0.096472 -0.038145 31O 1dyz -0.056896 -0.159861 0.239143 0.222441 -0.224647 -0.100224 31O 1dx2y2 0.216825 0.227633 -0.067741 -0.106322 0.097016 0.094840 31O 1dxy -0.085623 -0.145176 0.212607 0.260797 -0.295838 -0.159851 31O 2dz2 0.077500 0.155946 -0.182730 -0.205075 0.274323 -0.105495 31O 2dxz 0.014416 0.032931 0.011460 -0.028850 0.057515 0.105291 31O 2dyz 0.073753 0.131372 -0.214266 -0.230812 0.252102 0.119695 31O 2dx2y2 -0.129984 -0.145799 0.087386 0.138837 -0.160609 -0.109387 31O 2dxy 0.022283 0.081262 -0.131765 -0.132243 0.089111 0.118590 31O 1f0 0.004682 0.014985 -0.023681 -0.011806 0.019072 -0.023726 31O 1f+1 -0.007172 -0.019819 0.039165 0.037381 -0.049462 0.067146 31O 1f-1 0.014606 0.015720 0.004157 0.006522 -0.027580 0.088676 31O 1f+2 0.001001 -0.002808 0.022507 0.052526 -0.079200 -0.047815 31O 1f-2 -0.041856 -0.059903 0.025901 0.025399 -0.088546 -0.032099 31O 1f+3 0.045816 0.014922 0.027553 0.037681 0.004579 -0.039628 31O 1f-3 -0.011272 0.008069 0.007300 0.018459 -0.047538 0.002157 32O 1s 0.000390 0.001571 -0.004835 -0.000075 0.000554 -0.000496 32O 2s 0.001269 0.004765 -0.015702 -0.000192 0.001614 -0.001525 32O 3s -0.016093 -0.055610 0.219856 0.002142 -0.019265 0.019282 32O 4s 0.038587 0.093204 -0.497698 -0.004355 0.051588 -0.050191 32O 5s -0.037731 0.020407 0.031215 0.002526 -0.084441 0.062519 32O 1pz 0.000025 0.005571 0.004354 -0.004888 0.003559 0.008326 32O 1px 0.004164 -0.016192 -0.004068 -0.000966 0.002600 0.000431 32O 1py -0.002235 -0.003324 0.033700 0.000152 -0.005034 0.003286 32O 2pz -0.005370 -0.011477 -0.050249 0.031333 -0.017728 -0.042161 32O 2px -0.017032 0.034878 0.096566 0.010984 -0.014621 -0.004670 32O 2py 0.012154 0.021885 -0.191632 -0.002167 0.021044 -0.014070 32O 3pz -0.111088 -0.002576 -0.011787 0.029452 0.021970 0.085551 32O 3px -0.033585 0.020304 0.020319 0.008349 0.028111 0.023561 32O 3py -0.014702 0.039639 0.004604 -0.003567 -0.086060 0.040469 32O 1dz2 -0.086088 0.016271 0.026477 -0.015227 0.012529 0.012886 32O 1dxz 0.157487 0.047697 -0.036930 0.015375 0.001389 -0.025978 32O 1dyz 0.126364 0.009517 -0.004533 -0.011394 -0.018979 -0.019880 32O 1dx2y2 0.058834 -0.093249 0.142080 0.018981 -0.028350 -0.004591 32O 1dxy 0.069374 -0.018856 0.000532 -0.001509 0.022820 -0.023285 32O 2dz2 0.063404 -0.011884 -0.088342 0.020592 -0.009719 -0.019231 32O 2dxz -0.114758 -0.040231 -0.017203 -0.021758 0.004900 0.023629 32O 2dyz -0.108021 -0.007443 -0.008749 0.024910 0.010437 0.007449 32O 2dx2y2 -0.044202 0.082186 -0.106043 -0.018185 0.024055 0.005814 32O 2dxy -0.059705 0.012604 0.052559 0.007925 -0.022676 0.018104 32O 1f0 0.018430 0.008538 -0.097821 0.002245 0.004165 -0.004873 32O 1f+1 -0.021512 -0.005609 0.052122 0.001070 -0.002859 0.003147 32O 1f-1 0.008679 0.006842 -0.091674 0.013477 0.001284 -0.006477 32O 1f+2 0.026270 -0.006315 0.063309 -0.000809 -0.001808 0.002281 32O 1f-2 -0.009538 0.001628 -0.047688 -0.019206 0.003638 -0.002945 32O 1f+3 -0.018034 -0.005735 0.044258 0.005228 0.001105 -0.000510 32O 1f-3 0.006369 -0.004559 0.041361 0.010823 -0.004657 0.002210 33O 1s -0.000042 0.001291 0.000049 0.001134 0.000812 -0.002891 33O 2s -0.000410 0.004189 0.000664 0.002192 0.003096 -0.010985 33O 3s 0.016675 -0.051129 -0.020848 0.013931 -0.058016 0.201499 33O 4s -0.074319 0.199547 -0.119233 0.057168 0.151905 -0.540579 33O 5s -0.193716 -0.369501 1.386910 -1.468672 0.368577 -1.122713 33O 1pz 0.003022 0.011222 -0.015680 0.017512 0.015556 0.027349 33O 1px -0.005138 -0.001354 0.046134 -0.050518 0.032867 -0.059665 33O 1py -0.005323 0.005353 0.006857 -0.010823 -0.030416 -0.020297 33O 2pz -0.110677 -0.066050 0.145564 -0.209261 0.020034 -0.374198 33O 2px 0.051358 -0.021149 -0.237483 0.318835 -0.205149 0.481962 33O 2py -0.030108 -0.044483 0.002554 0.001270 0.139462 0.009652 33O 3pz 0.040727 0.049369 -0.306301 0.207341 0.099560 -0.100702 33O 3px 0.313389 0.236149 -0.360349 0.408706 -0.107848 0.501967 33O 3py 0.085469 0.123479 -0.341313 0.287196 -0.139168 0.088557 33O 1dz2 -0.171970 -0.087007 -0.010349 0.007563 0.123448 0.011839 33O 1dxz 0.059880 0.014019 -0.087578 0.114792 -0.065256 0.153627 33O 1dyz 0.098123 0.177306 -0.289861 0.256267 -0.190745 0.270157 33O 1dx2y2 0.298603 0.212898 -0.115583 0.090390 -0.032006 0.116882 33O 1dxy 0.315761 0.257814 -0.246327 0.246003 0.017959 0.326835 33O 2dz2 0.073500 0.041621 0.009439 0.000273 -0.147455 -0.020447 33O 2dxz 0.004752 0.019153 0.004862 0.010093 0.007172 0.068601 33O 2dyz -0.099808 -0.134270 0.243061 -0.211943 0.187512 -0.214952 33O 2dx2y2 -0.200821 -0.151965 0.142240 -0.155775 0.078748 -0.223845 33O 2dxy -0.187362 -0.167718 0.197695 -0.203128 -0.063106 -0.259164 33O 1f0 -0.009474 -0.006851 -0.008973 0.023122 -0.079865 0.012677 33O 1f+1 0.055810 0.035053 0.005409 -0.026845 0.056368 0.032240 33O 1f-1 0.014107 -0.006489 0.008710 0.020108 0.001248 0.049954 33O 1f+2 -0.049380 -0.037178 0.031897 -0.044329 0.007417 -0.099173 33O 1f-2 0.055970 0.047413 -0.017832 -0.006362 -0.085953 0.018938 33O 1f+3 0.009240 -0.008746 0.028987 -0.038950 0.015111 -0.039555 33O 1f-3 0.012282 -0.020598 0.033395 -0.041092 -0.038672 -0.041247 34O 1s -0.000091 -0.001518 0.000107 -0.001036 -0.002802 -0.000971 34O 2s -0.000165 -0.004933 0.000679 -0.001844 -0.010686 -0.003580 34O 3s -0.002622 0.060835 -0.015912 -0.018951 0.194839 0.061143 34O 4s 0.018044 -0.223129 -0.125910 -0.055765 -0.508783 -0.147468 34O 5s 0.073545 0.372385 1.266842 1.595834 -1.134825 -0.322244 34O 1pz -0.003681 -0.006317 0.016495 0.020437 -0.033405 0.026785 34O 1px -0.003921 -0.004650 -0.040835 -0.056111 0.061292 0.027139 34O 1py -0.006016 0.009344 -0.008706 -0.012557 0.007471 0.028365 34O 2pz 0.030819 0.047927 -0.050274 -0.066256 0.117076 -0.108278 34O 2px 0.046005 0.002986 0.236757 0.411313 -0.584594 -0.201360 34O 2py -0.018681 -0.067087 -0.007274 -0.025702 0.088214 -0.079081 34O 3pz -0.149281 -0.138634 -0.316679 -0.363093 0.173154 0.169711 34O 3px 0.097689 0.168344 0.121370 0.245219 -0.451224 -0.095619 34O 3py 0.039818 0.158466 0.424744 0.433083 -0.184444 0.017129 34O 1dz2 0.032168 0.121554 0.102296 0.089864 -0.093414 -0.002388 34O 1dxz 0.139327 0.176892 0.107307 0.120476 -0.168142 0.112495 34O 1dyz 0.162897 0.281746 0.356739 0.402146 -0.427006 -0.184372 34O 1dx2y2 -0.075279 -0.059920 0.074172 0.109403 -0.160364 0.029924 34O 1dxy -0.136606 -0.122930 -0.030322 -0.061691 0.065744 0.098160 34O 2dz2 -0.033533 -0.097703 -0.117145 -0.140991 0.183120 0.035191 34O 2dxz -0.083694 -0.110781 -0.107099 -0.138941 0.207047 -0.127269 34O 2dyz -0.114576 -0.196481 -0.290018 -0.326405 0.327144 0.161106 34O 2dx2y2 0.055460 0.054798 -0.002059 0.031830 -0.061911 -0.106923 34O 2dxy 0.057119 0.059826 0.013349 0.034470 -0.007348 -0.111052 34O 1f0 0.017575 0.021026 0.034950 0.061655 -0.101794 0.031661 34O 1f+1 -0.017042 -0.028977 -0.022093 -0.019907 0.049658 0.013939 34O 1f-1 0.001908 0.024153 0.010001 0.001706 -0.027851 0.032669 34O 1f+2 0.019161 0.020713 -0.017555 -0.028364 0.019126 -0.064486 34O 1f-2 0.001583 -0.030540 -0.024579 -0.007200 -0.022272 0.045588 34O 1f+3 -0.007675 -0.014937 -0.023948 -0.056536 0.082227 0.095288 34O 1f-3 0.043968 0.034690 -0.005259 -0.034757 -0.013022 0.041559 35O 1s -0.000365 -0.001608 0.000126 0.001204 0.000933 -0.002891 35O 2s -0.000305 -0.005251 0.000815 0.002399 0.003563 -0.011058 35O 3s -0.021169 0.065919 -0.018834 0.012426 -0.064743 0.198839 35O 4s 0.113638 -0.238984 -0.141639 0.045018 0.174710 -0.507444 35O 5s 0.424206 0.369205 1.392781 -1.478274 0.343148 -1.140686 35O 1pz -0.005958 -0.008339 0.019704 -0.019567 0.026721 -0.019523 35O 1px -0.013037 -0.001903 -0.046193 0.050920 -0.007626 0.069915 35O 1py -0.005117 -0.006671 -0.005465 0.009543 -0.037106 -0.000576 35O 2pz 0.095265 0.067834 -0.041354 0.024058 -0.078425 -0.001110 35O 2px 0.154437 -0.016178 0.260247 -0.369351 0.130893 -0.586538 35O 2py 0.105949 0.038127 0.075003 -0.133244 0.199984 -0.164612 35O 3pz -0.227706 -0.198567 -0.514572 0.462820 -0.015589 0.267957 35O 3px 0.329004 0.181295 0.192313 -0.297833 0.189150 -0.444769 35O 3py 0.029089 -0.055557 -0.239933 0.174293 -0.097134 -0.043054 35O 1dz2 -0.066728 -0.073148 -0.204165 0.190442 -0.020158 0.270454 35O 1dxz 0.368034 0.258850 0.187957 -0.212740 0.168509 -0.215659 35O 1dyz -0.111363 -0.181259 -0.335591 0.279260 -0.102950 0.361423 35O 1dx2y2 -0.256420 -0.199765 -0.082000 0.077537 0.094890 0.102023 35O 1dxy 0.020673 -0.039528 -0.037283 0.003683 -0.091169 -0.040525 35O 2dz2 0.016830 0.043136 0.122802 -0.089202 -0.030220 -0.097229 35O 2dxz -0.195931 -0.159420 -0.172597 0.186445 -0.170748 0.186640 35O 2dyz 0.104720 0.135418 0.266062 -0.224346 0.075474 -0.276824 35O 2dx2y2 0.190994 0.141444 0.129291 -0.153334 -0.073116 -0.260047 35O 2dxy 0.052880 0.047341 0.072970 -0.076529 0.157809 -0.079020 35O 1f0 -0.035372 -0.015492 0.025213 -0.033446 0.019561 -0.023630 35O 1f+1 -0.018336 0.004229 -0.011952 0.017648 -0.038548 0.049186 35O 1f-1 -0.060434 -0.036372 -0.023292 0.032386 -0.061833 0.076683 35O 1f+2 0.047116 -0.003306 -0.041809 0.036455 -0.064584 0.000473 35O 1f-2 0.040230 0.034402 -0.002320 0.025558 -0.026748 0.026173 35O 1f+3 0.010863 -0.012145 -0.043576 0.048227 0.077978 0.111211 35O 1f-3 -0.056087 -0.035765 -0.029785 0.019316 -0.041002 0.058043 708 709 710 711 712 713 6.77734 6.78233 6.78255 6.78519 6.78974 6.79098 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s 0.002274 0.000207 -0.000491 -0.000092 -0.000413 0.000026 0Rh 2s -0.021563 -0.001750 0.004321 0.001187 0.003942 -0.000508 0Rh 3s 0.001209 0.000234 -0.000461 0.000135 -0.000206 -0.000137 0Rh 4s 0.138446 0.011385 -0.027953 -0.007426 -0.025315 0.003168 0Rh 5s -0.409712 -0.033792 0.082519 0.022096 0.075100 -0.010299 0Rh 6s 0.573259 0.047620 -0.113955 -0.031647 -0.105855 0.019650 0Rh 7s -1.207512 -0.111606 0.225352 0.066669 0.222623 -0.087041 0Rh 8s -0.086820 0.005909 0.045671 -0.040073 0.040820 0.039354 0Rh 1pz -0.004228 -0.002035 0.010535 0.025296 -0.001325 0.009240 0Rh 1px 0.011417 -0.000400 0.004825 0.005015 -0.000111 0.009944 0Rh 1py -0.004714 0.002953 -0.021782 0.009330 -0.012348 -0.025333 0Rh 2pz 0.017953 0.008657 -0.044796 -0.107552 0.005670 -0.039258 0Rh 2px -0.048423 0.001702 -0.020527 -0.021364 0.000470 -0.042231 0Rh 2py 0.020023 -0.012575 0.092622 -0.039657 0.052507 0.107615 0Rh 3pz -0.063532 -0.031089 0.160350 0.384994 -0.021024 0.139261 0Rh 3px 0.170310 -0.006175 0.073832 0.077481 -0.001493 0.149652 0Rh 3py -0.071440 0.045541 -0.331758 0.141741 -0.188138 -0.381571 0Rh 4pz 0.093499 0.047790 -0.244539 -0.587685 0.034370 -0.204504 0Rh 4px -0.247431 0.009855 -0.114247 -0.121929 0.000972 -0.220458 0Rh 4py 0.109231 -0.071904 0.506838 -0.215748 0.287919 0.561115 0Rh 5pz -0.065628 -0.037649 0.188787 0.452623 -0.031755 0.128949 0Rh 5px 0.165660 -0.008874 0.090255 0.101507 0.001331 0.144806 0Rh 5py -0.086806 0.062245 -0.390349 0.164986 -0.223929 -0.361177 0Rh 6pz 0.105322 0.003901 -0.089863 -0.069899 0.059114 0.081556 0Rh 6px -0.192213 -0.009181 0.048549 -0.009229 0.071700 0.036968 0Rh 6py 0.020407 -0.035998 0.066370 -0.011311 0.029783 -0.128192 0Rh 1dz2 -0.003482 0.000050 0.003744 0.004572 -0.001852 -0.005480 0Rh 1dxz -0.004263 0.000288 -0.000629 -0.008812 0.000367 -0.001302 0Rh 1dyz -0.002208 -0.000314 0.001023 -0.002093 -0.010090 0.002780 0Rh 1dx2y2 0.004876 0.001390 -0.004513 -0.001924 -0.004479 -0.002879 0Rh 1dxy 0.003611 -0.002058 0.008279 -0.003940 0.000610 -0.002427 0Rh 2dz2 0.003609 0.000508 -0.003504 -0.002307 0.003653 0.001689 0Rh 2dxz 0.004105 -0.000003 0.000278 0.004679 -0.000884 0.000515 0Rh 2dyz 0.002273 0.000774 -0.003629 0.002255 0.012274 -0.000378 0Rh 2dx2y2 -0.005325 -0.000713 0.002432 0.001606 0.004117 0.000607 0Rh 2dxy -0.002808 0.001282 -0.005742 0.002763 0.002530 0.000474 0Rh 3dz2 0.001333 -0.003020 -0.003582 -0.015037 -0.008527 0.023732 0Rh 3dxz 0.003307 -0.001712 0.002304 0.027816 0.002581 0.004975 0Rh 3dyz 0.000989 -0.002308 0.013435 0.000450 -0.005497 -0.014639 0Rh 3dx2y2 -0.000292 -0.004486 0.013953 0.002890 0.004712 0.013774 0Rh 3dxy -0.006471 0.005478 -0.018856 0.008790 -0.017339 0.012147 0Rh 4dz2 0.016540 0.011632 -0.007742 0.034102 0.045051 -0.061336 0Rh 4dxz 0.013793 0.005151 -0.005851 -0.061764 -0.013008 -0.011311 0Rh 4dyz 0.009261 0.011497 -0.060806 0.010257 0.081540 0.041569 0Rh 4dx2y2 -0.030861 0.009658 -0.029749 -0.000055 0.007421 -0.035515 0Rh 4dxy 0.003907 -0.010316 0.028300 -0.012362 0.066996 -0.035021 0Rh 5dz2 -0.144923 -0.040483 0.105619 -0.043730 -0.201004 0.093257 0Rh 5dxz -0.154095 -0.013027 0.010597 0.076116 0.063957 0.005701 0Rh 5dyz -0.079488 -0.051123 0.256307 -0.078605 -0.496232 -0.085848 0Rh 5dx2y2 0.245294 -0.004509 0.025014 -0.041127 -0.115356 0.053277 0Rh 5dxy 0.066942 0.001962 0.045053 -0.031080 -0.243079 0.076100 0Rh 1f0 -0.007399 0.000529 -0.004870 0.000440 -0.009265 -0.021686 0Rh 1f+1 0.005552 0.000313 -0.003296 0.008184 0.005595 0.000821 0Rh 1f-1 -0.002998 -0.001066 -0.000916 0.015166 -0.016295 -0.008115 0Rh 1f+2 0.006294 0.001054 -0.008641 -0.016733 -0.006936 -0.016520 0Rh 1f-2 0.002308 0.003631 -0.021637 0.005840 0.012334 -0.018140 0Rh 1f+3 0.009468 -0.001272 0.010374 0.004124 -0.000473 0.008986 0Rh 1f-3 0.003250 0.000747 -0.002666 -0.000438 -0.015755 -0.005660 1Rh 1s -0.002272 -0.000022 0.000539 0.000089 0.000409 0.000038 1Rh 2s 0.021539 0.000247 -0.004726 -0.001170 -0.003903 -0.000620 1Rh 3s -0.001210 0.000009 0.000514 -0.000143 0.000202 -0.000130 1Rh 4s -0.138294 -0.001550 0.030592 0.007316 0.025064 0.003886 1Rh 5s 0.409250 0.004416 -0.090441 -0.021786 -0.074333 -0.012432 1Rh 6s -0.572517 -0.005250 0.125583 0.031310 0.104653 0.022669 1Rh 7s 1.205446 -0.004975 -0.258275 -0.065858 -0.217108 -0.093162 1Rh 8s 0.086963 0.026324 -0.036264 0.039110 -0.044428 0.036598 1Rh 1pz -0.004103 -0.001760 0.010804 0.025381 -0.000669 -0.009464 1Rh 1px 0.011480 -0.001502 0.004628 0.004957 0.000332 -0.009901 1Rh 1py -0.004950 0.007008 -0.020971 0.009507 -0.013343 0.024508 1Rh 2pz 0.017421 0.007478 -0.045938 -0.107911 0.002884 0.040210 1Rh 2px -0.048688 0.006388 -0.019690 -0.021119 -0.001412 0.042049 1Rh 2py 0.021029 -0.029783 0.089180 -0.040408 0.056734 -0.104106 1Rh 3pz -0.061641 -0.026675 0.164459 0.386278 -0.011150 -0.142691 1Rh 3px 0.171246 -0.022912 0.070824 0.076623 0.005191 -0.149024 1Rh 3py -0.075003 0.106216 -0.319635 0.144413 -0.203117 0.369012 1Rh 4pz 0.090687 0.040317 -0.250825 -0.589603 0.019879 0.209802 1Rh 4px -0.248794 0.035133 -0.109609 -0.120690 -0.008939 0.219560 1Rh 4py 0.114459 -0.160104 0.489242 -0.219700 0.309949 -0.541954 1Rh 5pz -0.063672 -0.030515 0.193438 0.453920 -0.022630 -0.133206 1Rh 5px 0.166512 -0.026616 0.086735 0.100715 0.008086 -0.144256 1Rh 5py -0.090153 0.116875 -0.379461 0.167560 -0.238277 0.346449 1Rh 6pz 0.103278 0.033998 -0.083095 -0.069375 0.065457 -0.079136 1Rh 6px -0.192389 -0.013083 0.049244 -0.008992 0.070863 -0.034680 1Rh 6py 0.019219 0.005883 0.073790 -0.009938 0.029736 0.129975 1Rh 1dz2 0.003503 0.001511 -0.003486 -0.004629 0.002257 -0.005298 1Rh 1dxz 0.004278 0.000312 0.000728 0.008774 -0.000243 -0.001353 1Rh 1dyz 0.002210 0.000279 -0.001060 0.002134 0.009817 0.003407 1Rh 1dx2y2 -0.004887 -0.000582 0.004640 0.001871 0.004639 -0.002624 1Rh 1dxy -0.003582 0.001850 -0.008386 0.003939 -0.000445 -0.002441 1Rh 2dz2 -0.003608 -0.000984 0.003443 0.002328 -0.003754 0.001404 1Rh 2dxz -0.004110 -0.000049 -0.000275 -0.004663 0.000845 0.000569 1Rh 2dyz -0.002267 -0.000993 0.003619 -0.002264 -0.012170 -0.001182 1Rh 2dx2y2 0.005328 0.000327 -0.002513 -0.001593 -0.004138 0.000386 1Rh 2dxy 0.002801 -0.001419 0.005746 -0.002768 -0.002571 0.000299 1Rh 3dz2 -0.001466 -0.003747 0.002359 0.015267 0.006645 0.024177 1Rh 3dxz -0.003371 -0.001596 -0.002913 -0.027671 -0.003111 0.004988 1Rh 3dyz -0.001031 0.003667 -0.013177 -0.000645 0.006571 -0.014075 1Rh 3dx2y2 0.000342 0.001733 -0.014278 -0.002648 -0.005544 0.013437 1Rh 3dxy 0.006334 -0.003469 0.019482 -0.008757 0.016565 0.013179 1Rh 4dz2 -0.016135 0.005901 0.011077 -0.034673 -0.040012 -0.064217 1Rh 4dxz -0.013622 0.004472 0.007696 0.061399 0.014303 -0.011054 1Rh 4dyz -0.009096 -0.016374 0.060099 -0.009733 -0.084174 0.035582 1Rh 4dx2y2 0.030705 -0.003817 0.030217 -0.000567 -0.005191 -0.035647 1Rh 4dxy -0.003512 0.003218 -0.030237 0.012244 -0.064809 -0.039130 1Rh 5dz2 0.143848 0.011086 -0.112363 0.044433 0.192017 0.107673 1Rh 5dxz 0.153647 -0.010069 -0.015574 -0.075539 -0.065398 0.003526 1Rh 5dyz 0.078624 0.068603 -0.254716 0.077613 0.499298 -0.051271 1Rh 5dx2y2 -0.244790 0.007843 -0.022322 0.042045 0.111814 0.058534 1Rh 5dxy -0.067909 0.022641 -0.039411 0.031362 0.238092 0.091306 1Rh 1f0 -0.007584 0.001608 -0.004670 0.000550 -0.010287 0.020972 1Rh 1f+1 0.005495 0.001501 -0.003089 0.008189 0.005739 -0.000469 1Rh 1f-1 -0.003046 0.001911 -0.000160 0.015355 -0.016252 0.006966 1Rh 1f+2 0.006139 0.002118 -0.008585 -0.016733 -0.007699 0.016202 1Rh 1f-2 0.002100 0.006318 -0.021142 0.005971 0.011523 0.019033 1Rh 1f+3 0.009579 -0.003171 0.010101 0.004151 -0.000074 -0.009001 1Rh 1f-3 0.003238 0.000449 -0.002731 -0.000385 -0.015922 0.004642 2C 1s 0.000315 -0.000750 -0.001081 -0.002340 0.000602 0.000379 2C 2s 0.000104 -0.000560 -0.001149 -0.001307 0.000522 0.000309 2C 3s 0.025615 -0.009487 0.013576 -0.120955 0.035804 0.000380 2C 4s -0.136815 0.067918 -0.088620 0.787509 -0.211526 0.009160 2C 5s 0.102013 -0.000405 0.296227 -0.884872 0.216335 -0.060574 2C 1pz 0.001717 -0.000773 -0.001959 -0.006771 -0.000003 0.001634 2C 1px -0.012144 -0.001537 0.001325 -0.003768 -0.001757 0.003787 2C 1py -0.000958 0.001218 0.009377 -0.000574 0.003080 -0.005902 2C 2pz -0.098268 0.008708 -0.095380 0.419636 -0.098932 0.047187 2C 2px 0.135886 0.009312 -0.060175 0.114835 -0.018058 -0.037383 2C 2py -0.014810 0.011588 -0.098709 0.258688 -0.075827 0.036008 2C 3pz -0.002116 -0.012302 0.042960 -0.134088 0.030407 0.011818 2C 3px 0.028867 -0.009091 0.012190 -0.075838 0.023465 0.002442 2C 3py 0.011143 0.015828 0.033697 -0.082699 0.025063 -0.054460 2C 1dz2 -0.038567 -0.004170 0.007666 0.010725 -0.028087 0.006761 2C 1dxz 0.057973 0.003607 -0.040488 0.009693 0.032569 0.004764 2C 1dyz -0.011658 -0.000435 0.003218 0.020449 -0.010646 0.001895 2C 1dx2y2 -0.004380 -0.002368 -0.002154 -0.011335 -0.003286 0.006836 2C 1dxy 0.045163 0.006768 -0.020607 0.006034 0.028306 -0.011976 2C 2dz2 -0.101147 -0.020286 0.004946 0.096879 -0.058217 0.011004 2C 2dxz 0.171793 0.004670 -0.096869 0.004494 0.090400 -0.013198 2C 2dyz -0.036820 0.007651 -0.040474 0.165736 -0.061800 0.008122 2C 2dx2y2 -0.006070 -0.010591 0.030638 -0.026979 -0.019252 -0.040500 2C 2dxy 0.121508 0.012008 -0.058144 0.032966 0.054382 0.025738 2C 1f0 -0.088994 -0.011920 0.040757 0.007766 -0.054953 0.000436 2C 1f+1 0.065142 0.003068 -0.045483 0.021990 0.033098 0.003551 2C 1f-1 -0.031896 0.000431 0.011544 0.025096 -0.020955 0.003292 2C 1f+2 0.045243 -0.002291 -0.020921 -0.026809 0.029479 0.001950 2C 1f-2 0.106920 0.019142 -0.039105 0.017651 0.064566 -0.018698 2C 1f+3 0.046274 -0.006539 -0.042098 -0.002971 0.021602 0.003638 2C 1f-3 -0.025673 0.005885 0.024709 0.015929 -0.019239 -0.008330 3C 1s -0.000137 -0.000711 -0.002344 0.000812 -0.001658 -0.000861 3C 2s -0.000138 -0.000706 -0.001341 0.000930 -0.001223 -0.000650 3C 3s -0.008055 0.014284 -0.109948 -0.037090 -0.057871 -0.011372 3C 4s 0.082374 -0.085162 0.709992 0.224968 0.367204 0.068974 3C 5s -0.131861 0.319605 -0.766056 -0.424945 -0.283935 0.135916 3C 1pz 0.002492 0.000674 0.001093 -0.009006 0.000797 0.008723 3C 1px -0.011653 0.000580 -0.002381 -0.001634 0.005629 -0.002580 3C 1py 0.000198 -0.000471 0.007029 -0.000786 0.003556 0.006020 3C 2pz -0.010400 -0.033534 0.185967 0.123216 0.087170 -0.072125 3C 2px 0.166092 -0.030951 0.144251 0.067350 -0.005593 0.079860 3C 2py -0.043478 0.093611 -0.379124 -0.177565 -0.161601 -0.007854 3C 3pz -0.017432 0.032852 -0.037033 -0.026633 -0.004576 0.049599 3C 3px 0.007208 0.022960 -0.063890 -0.039186 -0.042211 0.018851 3C 3py 0.031315 -0.046149 0.132295 0.064627 0.042379 -0.006229 3C 1dz2 -0.017551 0.000495 -0.005040 -0.002029 0.020557 -0.009065 3C 1dxz 0.032003 -0.000687 0.017299 -0.010455 -0.033114 0.026176 3C 1dyz 0.024750 0.002755 -0.009772 -0.009116 -0.039003 0.014460 3C 1dx2y2 0.025062 0.005469 -0.005431 -0.021787 -0.035654 0.028788 3C 1dxy -0.046448 0.003152 -0.020896 0.004053 0.047819 -0.031398 3C 2dz2 -0.054324 0.018887 -0.031978 0.007094 0.035183 -0.042413 3C 2dxz 0.092912 -0.001142 0.050274 -0.004630 -0.099405 0.058652 3C 2dyz 0.044745 0.030877 -0.134727 -0.090385 -0.131804 0.043488 3C 2dx2y2 0.061151 0.032921 -0.050096 -0.062744 -0.087051 0.060957 3C 2dxy -0.147481 0.018425 -0.071065 -0.012971 0.107353 -0.069541 3C 1f0 -0.009666 0.008244 -0.002266 -0.011625 0.008060 0.004275 3C 1f+1 -0.018309 0.007862 0.008947 -0.005117 0.034460 0.001126 3C 1f-1 0.036113 0.003041 0.006472 -0.018799 -0.037992 0.027216 3C 1f+2 0.063263 -0.009539 -0.012420 -0.001577 -0.083231 0.024601 3C 1f-2 -0.046110 -0.001731 -0.036461 0.011025 0.036148 -0.035515 3C 1f+3 0.072652 -0.003327 0.036602 -0.010858 -0.066473 0.048953 3C 1f-3 0.083589 0.011748 0.005995 -0.040425 -0.105708 0.066712 4C 1s -0.001782 0.000162 0.000320 0.004325 -0.002342 0.000336 4C 2s -0.002809 0.000300 0.001090 0.004093 -0.002664 0.000573 4C 3s -0.043230 0.018896 -0.049077 0.388733 -0.131953 0.013567 4C 4s 0.291657 -0.094826 0.244342 -2.040007 0.722497 -0.100694 4C 5s 0.012812 -0.023162 -0.138254 0.119790 0.036248 -0.019824 4C 1pz 0.012543 -0.007216 0.009406 -0.031344 -0.019411 -0.001712 4C 1px -0.013836 0.008083 -0.033329 0.007162 0.088415 0.005209 4C 1py 0.004590 0.003431 0.000440 -0.014425 0.024383 -0.006828 4C 2pz -0.182733 -0.196643 -0.293662 -0.113751 -0.155949 0.193618 4C 2px 0.303029 -0.079157 -0.458236 0.003135 0.272835 0.088190 4C 2py 0.200264 0.307833 0.433453 0.091014 0.278703 -0.276970 4C 3pz 0.026555 -0.036111 0.132933 -0.631350 0.142371 -0.108898 4C 3px 0.058679 0.008603 -0.124559 -0.051032 0.174303 -0.019170 4C 3py 0.050736 -0.017921 0.100875 -0.391370 0.165160 0.014331 4C 1dz2 0.026688 -0.040232 -0.095543 -0.003120 -0.019165 0.027117 4C 1dxz -0.105589 -0.024373 -0.003724 0.024173 -0.056612 0.062578 4C 1dyz 0.014016 0.024513 0.045203 -0.008025 0.019551 -0.003645 4C 1dx2y2 -0.009524 -0.033773 -0.052455 -0.064543 0.001078 0.060724 4C 1dxy -0.054509 -0.009061 0.020582 -0.027337 -0.008389 -0.039943 4C 2dz2 -0.179371 -0.152378 -0.113492 -0.201597 -0.075156 0.032314 4C 2dxz 0.216635 -0.054437 -0.161581 -0.045628 0.006641 0.078617 4C 2dyz 0.064071 0.055024 0.177986 -0.336218 0.133297 -0.007214 4C 2dx2y2 0.001629 -0.092859 -0.179295 -0.078896 0.013282 0.134536 4C 2dxy 0.216859 -0.009174 -0.064557 -0.151658 0.097839 -0.149300 4C 1f0 0.213271 0.015202 -0.140606 0.049125 0.132825 -0.069570 4C 1f+1 -0.207453 0.041464 0.211186 0.092966 -0.147469 -0.005246 4C 1f-1 0.068540 -0.005158 -0.074559 0.010880 0.045613 0.039530 4C 1f+2 -0.144006 -0.072205 -0.026459 -0.095252 -0.090652 0.084560 4C 1f-2 -0.318678 -0.132750 -0.016184 -0.049979 -0.258311 0.092255 4C 1f+3 -0.145647 0.085120 0.287917 0.021161 -0.060952 -0.160481 4C 1f-3 -0.066048 -0.097628 -0.170674 0.035138 -0.084960 0.101078 5C 1s 0.000686 -0.000528 0.004284 0.000593 0.001638 0.000297 5C 2s 0.000875 -0.000065 0.004058 -0.000297 0.002215 0.000459 5C 3s 0.051562 -0.063651 0.358514 0.122984 0.147864 0.011057 5C 4s -0.298141 0.331307 -1.885986 -0.617608 -0.777854 -0.054371 5C 5s 0.010330 -0.108962 0.063472 0.123167 0.053542 -0.081269 5C 1pz 0.005882 0.006226 -0.024798 -0.003577 0.016237 0.015266 5C 1px -0.030756 -0.006231 0.031833 -0.020315 -0.078652 -0.027912 5C 1py -0.001746 -0.002115 0.032632 0.001454 0.000659 -0.001505 5C 2pz -0.111462 0.301140 0.092469 -0.437136 0.239365 0.258264 5C 2px 0.261705 0.045420 0.102748 -0.144998 -0.427526 0.276677 5C 2py 0.045704 0.206733 0.167252 -0.396599 0.009338 0.282083 5C 3pz -0.071637 0.125545 -0.354294 -0.181563 -0.046950 -0.003026 5C 3px -0.010482 0.034878 -0.129639 -0.092694 -0.240885 -0.017022 5C 3py 0.125446 -0.143094 0.559090 0.190405 0.180905 -0.095537 5C 1dz2 0.027304 0.040132 0.059070 -0.071847 0.009288 0.085420 5C 1dxz -0.032535 0.010772 0.038549 -0.019936 0.046742 -0.008506 5C 1dyz -0.027670 -0.028458 0.009949 0.054427 0.029117 -0.059826 5C 1dx2y2 -0.052452 0.032347 -0.030526 -0.051491 0.030852 -0.000047 5C 1dxy 0.072337 0.003690 -0.000814 -0.021117 -0.060430 0.060357 5C 2dz2 -0.068234 0.118007 0.217997 -0.139689 0.158615 0.056659 5C 2dxz 0.097739 0.063294 0.016204 -0.112986 -0.060108 0.116562 5C 2dyz 0.163626 -0.129452 0.275924 0.205601 0.042313 0.038748 5C 2dx2y2 0.152981 0.091449 0.102204 -0.111201 -0.034401 0.186890 5C 2dxy -0.193117 -0.029558 0.146766 0.073917 0.221194 -0.178920 5C 1f0 0.071056 -0.045230 0.016849 0.066514 -0.073684 -0.011370 5C 1f+1 -0.001281 -0.108348 -0.004404 0.180585 0.002992 -0.157822 5C 1f-1 -0.094448 -0.084976 -0.077223 0.167317 0.100185 -0.161449 5C 1f+2 -0.212661 0.101162 -0.006619 -0.113025 0.290467 -0.010833 5C 1f-2 0.098444 -0.017122 -0.032785 -0.006756 -0.177032 0.041283 5C 1f+3 -0.195362 -0.010779 0.007180 0.082802 0.276714 -0.133592 5C 1f-3 -0.212053 -0.059955 -0.178013 0.169286 0.209460 -0.253782 6C 1s -0.000646 0.001314 -0.004085 -0.000598 -0.001641 0.000190 6C 2s -0.000787 0.001649 -0.003637 0.000284 -0.002209 0.000315 6C 3s -0.051969 0.091291 -0.353315 -0.123280 -0.149616 0.002538 6C 4s 0.296600 -0.483943 1.854457 0.617778 0.784090 -0.010357 6C 5s -0.009263 -0.073165 -0.106179 -0.118159 -0.048384 -0.081833 6C 1pz 0.006044 0.004902 -0.025081 -0.003554 0.017158 -0.013896 6C 1px -0.030712 -0.008998 0.031046 -0.020334 -0.080023 0.022272 6C 1py -0.001923 -0.011977 0.030245 0.001535 0.000736 0.001308 6C 2pz -0.110326 -0.326852 -0.053880 -0.426788 0.263004 -0.239863 6C 2px 0.263718 -0.092264 0.073668 -0.144074 -0.413577 -0.302923 6C 2py 0.046219 -0.271318 0.055146 -0.388410 0.028338 -0.277275 6C 3pz -0.070678 0.032358 -0.373409 -0.177545 -0.045909 0.002440 6C 3px -0.010290 0.020733 -0.130701 -0.091088 -0.241866 0.001731 6C 3py 0.123344 -0.103625 0.566416 0.187294 0.171716 0.103550 6C 1dz2 -0.027745 0.064049 -0.034754 0.070644 -0.014692 0.084141 6C 1dxz 0.033064 0.026708 -0.029689 0.018866 -0.047755 -0.011638 6C 1dyz 0.028099 -0.023554 -0.022021 -0.053781 -0.025287 -0.061020 6C 1dx2y2 0.052364 0.017990 0.042635 0.050482 -0.032009 -0.002126 6C 1dxy -0.072909 0.004002 0.002021 0.020953 0.056811 0.063475 6C 2dz2 0.068364 0.203984 -0.143034 0.134482 -0.163883 0.046124 6C 2dxz -0.097739 0.068035 0.013473 0.109715 0.051877 0.117685 6C 2dyz -0.164115 -0.005983 -0.308237 -0.202338 -0.042985 0.037328 6C 2dx2y2 -0.154617 0.130727 -0.052374 0.107965 0.022722 0.188152 6C 2dxy 0.194677 0.032807 -0.145723 -0.075527 -0.215559 -0.190733 6C 1f0 0.071333 0.035667 0.036078 0.064519 -0.076908 0.006044 6C 1f+1 -0.001974 0.106264 0.046019 0.177850 -0.007937 0.156529 6C 1f-1 -0.095636 0.116150 -0.030978 0.164680 0.090279 0.166305 6C 1f+2 -0.213638 -0.091304 -0.052973 -0.108884 0.294218 0.029906 6C 1f-2 0.099131 0.028670 -0.021878 -0.008142 -0.176532 -0.052352 6C 1f+3 -0.196570 0.010782 0.010877 0.082929 0.269816 0.150006 6C 1f-3 -0.213763 0.137056 -0.133152 0.167048 0.193894 0.264975 7C 1s 0.001789 0.000124 -0.000261 -0.004316 0.002371 0.000530 7C 2s 0.002801 0.000563 -0.000930 -0.004084 0.002711 0.000834 7C 3s 0.044651 -0.018098 0.051889 -0.388407 0.132495 0.022333 7C 4s -0.297212 0.092976 -0.255137 2.037869 -0.725122 -0.151041 7C 5s -0.013629 -0.080985 0.109500 -0.119037 -0.037118 -0.021431 7C 1pz 0.012417 0.001068 0.011303 -0.031343 -0.019158 0.000496 7C 1px -0.013571 0.007698 -0.033648 0.006937 0.088213 0.000676 7C 1py 0.004648 -0.003839 -0.001129 -0.014374 0.023892 0.008446 7C 2pz -0.181435 0.300370 -0.184292 -0.125175 -0.141797 -0.199925 7C 2px 0.303678 0.269878 -0.380857 -0.002850 0.282697 -0.066282 7C 2py 0.200056 -0.459825 0.262754 0.109449 0.260914 0.292388 7C 3pz 0.026898 -0.045013 0.131450 -0.632412 0.131044 0.119601 7C 3px 0.058599 0.044562 -0.116947 -0.050425 0.172539 0.031883 7C 3py 0.050986 -0.039129 0.095285 -0.392886 0.164429 -0.002114 7C 1dz2 -0.026391 -0.077614 0.069832 0.005348 0.016524 0.027457 7C 1dxz 0.105148 -0.024285 -0.006828 -0.022492 0.054057 0.066621 7C 1dyz -0.014186 0.041517 -0.030484 0.006822 -0.018634 -0.004431 7C 1dx2y2 0.009072 -0.050665 0.033539 0.066413 -0.004980 0.060078 7C 1dxy 0.054857 0.001540 -0.021696 0.027517 0.010138 -0.039015 7C 2dz2 0.178836 -0.179071 0.039971 0.207580 0.072854 0.036744 7C 2dxz -0.216041 -0.116367 0.121360 0.047995 -0.011706 0.076369 7C 2dyz -0.064465 0.138076 -0.137364 0.333186 -0.131732 -0.014845 7C 2dx2y2 -0.001873 -0.158424 0.122483 0.083576 -0.020087 0.131919 7C 2dxy -0.217489 -0.031523 0.056189 0.150788 -0.094544 -0.157192 7C 1f0 0.212044 0.048773 -0.132553 0.049416 0.130241 0.080064 7C 1f+1 -0.206956 -0.126181 0.174265 0.095530 -0.150580 -0.007008 7C 1f-1 0.068836 0.037742 -0.065300 0.009971 0.047874 -0.035670 7C 1f+2 -0.143161 0.073215 0.005546 -0.099250 -0.086016 -0.090578 7C 1f-2 -0.318789 0.124236 0.040027 -0.056502 -0.252643 -0.110021 7C 1f+3 -0.146773 -0.200172 0.224383 0.026981 -0.072226 0.153368 7C 1f-3 -0.066201 0.162525 -0.113391 0.029419 -0.077841 -0.104925 8C 1s 0.000136 -0.001643 0.001790 -0.000740 0.001731 -0.000730 8C 2s 0.000138 -0.001216 0.000884 -0.000869 0.001277 -0.000549 8C 3s 0.008003 -0.032668 0.106103 0.037504 0.059456 -0.007799 8C 4s -0.082386 0.217662 -0.681588 -0.227830 -0.376214 0.046950 8C 5s 0.128720 -0.027077 0.831767 0.414194 0.272748 0.148266 8C 1pz 0.002491 -0.001386 0.000428 -0.009021 0.001398 -0.008533 8C 1px -0.011700 0.000487 -0.002538 -0.001648 0.005489 0.002904 8C 1py 0.000271 -0.002637 0.006497 -0.000839 0.003983 -0.005843 8C 2pz -0.010517 -0.045094 0.185306 0.123304 0.083688 0.075506 8C 2px 0.166939 -0.032091 0.146342 0.067085 -0.000706 -0.080174 8C 2py -0.043792 0.072011 -0.384972 -0.175502 -0.163641 0.000384 8C 3pz -0.016967 -0.014443 -0.048137 -0.025525 -0.000481 -0.049308 8C 3px 0.007358 0.005400 -0.068687 -0.038774 -0.040658 -0.020690 8C 3py 0.030727 -0.012999 0.138514 0.062977 0.041566 0.008027 8C 1dz2 0.017543 -0.001723 0.004896 0.002042 -0.019982 -0.010244 8C 1dxz -0.032164 0.007359 -0.015939 0.010551 0.031546 0.028160 8C 1dyz -0.025025 -0.001233 0.009945 0.009216 0.038710 0.016893 8C 1dx2y2 -0.025210 0.003472 0.007480 0.021712 0.034081 0.030651 8C 1dxy 0.046854 -0.006444 0.020515 -0.004240 -0.046553 -0.034302 8C 2dz2 0.054426 0.002852 0.036928 -0.007841 -0.032434 -0.044154 8C 2dxz -0.093520 0.021128 -0.045910 0.005479 0.097202 0.065158 8C 2dyz -0.045290 -0.026493 0.135825 0.090184 0.130581 0.050625 8C 2dx2y2 -0.061215 0.010230 0.060918 0.061749 0.083954 0.064856 8C 2dxy 0.148469 -0.014062 0.073063 0.012086 -0.104542 -0.076191 8C 1f0 -0.009977 -0.006736 -0.005992 -0.011204 0.008880 -0.003453 8C 1f+1 -0.018404 -0.010747 0.004397 -0.004461 0.034871 0.001316 8C 1f-1 0.036488 -0.006252 0.004535 -0.018645 -0.036731 -0.029305 8C 1f+2 0.063640 0.013330 -0.006705 -0.002483 -0.082647 -0.029888 8C 1f-2 -0.046352 0.017700 -0.032272 0.010811 0.033995 0.037502 8C 1f+3 0.072870 -0.013239 0.034585 -0.010876 -0.063817 -0.052608 8C 1f-3 0.084335 -0.014927 0.000193 -0.040326 -0.102697 -0.072851 9C 1s -0.000346 -0.000974 0.000618 0.002354 -0.000666 0.000286 9C 2s -0.000123 -0.000887 0.000765 0.001316 -0.000572 0.000235 9C 3s -0.026245 0.002199 -0.016015 0.121011 -0.036557 -0.002537 9C 4s 0.140061 -0.009649 0.108033 -0.787682 0.215062 0.026076 9C 5s -0.101396 0.150244 -0.256003 0.885713 -0.205918 -0.077115 9C 1pz 0.001684 0.001327 -0.001549 -0.006737 0.000169 -0.001700 9C 1px -0.012088 0.000659 0.001795 -0.003827 -0.001523 -0.003850 9C 1py -0.000961 -0.005150 0.008081 -0.000600 0.002635 0.005901 9C 2pz -0.097842 0.047283 -0.087699 0.417034 -0.096720 -0.051893 9C 2px 0.135105 0.021505 -0.057284 0.114834 -0.019163 0.035044 9C 2py -0.015274 0.041301 -0.094668 0.261213 -0.073144 -0.039000 9C 3pz -0.002535 -0.010575 0.041699 -0.133687 0.029053 -0.009835 9C 3px 0.029155 0.000213 0.014498 -0.076246 0.023793 -0.001071 9C 3py 0.011020 -0.030880 0.023056 -0.084049 0.020934 0.056213 9C 1dz2 0.038462 -0.000680 -0.008596 -0.010399 0.027714 0.008661 9C 1dxz -0.058098 -0.014643 0.038065 -0.009663 -0.033398 0.002018 9C 1dyz 0.011766 0.000271 -0.003167 -0.020450 0.010733 0.002767 9C 1dx2y2 0.004434 -0.002799 0.001079 0.011590 0.002936 0.007207 9C 1dxy -0.044884 -0.003033 0.021231 -0.006306 -0.027735 -0.014125 9C 2dz2 0.100694 -0.018959 -0.013662 -0.095994 0.057904 0.014760 9C 2dxz -0.172477 -0.037559 0.089230 -0.004214 -0.091886 -0.022374 9C 2dyz 0.037051 -0.016059 0.039524 -0.165748 0.060906 0.012193 9C 2dx2y2 0.006904 0.004127 -0.031705 0.027279 0.021526 -0.038136 9C 2dxy -0.121143 -0.015225 0.056078 -0.032505 -0.054757 0.020674 9C 1f0 -0.088359 -0.006294 0.041178 0.007265 -0.054858 -0.004828 9C 1f+1 0.064092 0.017689 -0.041670 0.021720 0.032923 -0.000989 9C 1f-1 -0.032337 -0.004326 0.010396 0.024994 -0.021314 -0.005076 9C 1f+2 0.045218 0.009754 -0.017611 -0.026988 0.029928 0.000817 9C 1f-2 0.107269 0.001148 -0.043828 0.018321 0.064200 0.023365 9C 1f+3 0.047491 0.023608 -0.035541 -0.003229 0.023280 -0.001152 9C 1f-3 -0.025741 -0.015135 0.019643 0.016237 -0.019978 0.006405 10H 1s 0.040901 -0.001835 -0.027023 -0.017361 0.027000 0.008655 10H 2s 0.050270 -0.011597 -0.081617 -0.037742 0.083679 0.045427 10H 3s -0.022934 0.000558 -0.027081 0.121172 -0.046034 -0.005436 10H 1pz 0.009498 -0.005530 -0.024235 -0.004347 0.015555 0.015765 10H 1px -0.031101 0.002477 0.027249 0.015449 -0.028176 -0.009361 10H 1py 0.005667 0.002618 -0.002612 -0.000321 0.009488 -0.007440 11H 1s -0.005797 0.000494 0.006741 0.008400 -0.011361 0.005069 11H 2s -0.009949 -0.014110 -0.029316 0.022231 -0.008428 0.015607 11H 3s -0.013035 -0.010144 -0.027991 0.048264 -0.006050 0.016761 11H 1pz 0.004502 -0.001112 0.003230 -0.009668 0.007303 -0.004718 11H 1px -0.008182 -0.004829 -0.003835 0.005491 -0.008414 -0.001752 11H 1py 0.007598 -0.002157 -0.001431 -0.010429 0.006379 -0.008245 12H 1s -0.017958 -0.009137 0.000364 -0.004144 -0.020882 0.000004 12H 2s -0.026308 -0.024486 -0.032000 -0.005204 -0.031129 -0.014176 12H 3s -0.011988 0.000833 -0.032089 0.073185 -0.005782 -0.013187 12H 1pz 0.012580 0.002300 -0.005465 -0.007317 0.008232 0.005018 12H 1px -0.005308 -0.000691 0.002200 0.004537 -0.008300 -0.000152 12H 1py -0.017032 -0.014697 -0.015205 -0.014005 -0.016380 0.008736 13H 1s 0.030992 -0.002603 -0.010158 -0.002042 -0.047462 0.011204 13H 2s 0.029914 -0.024256 -0.018458 0.015596 -0.118435 -0.014370 13H 3s 0.013271 -0.033639 0.093300 0.057461 0.064219 0.005367 13H 1pz 0.015097 -0.004351 -0.005026 0.000980 -0.037158 0.001075 13H 1px -0.018108 0.006025 0.006695 -0.003073 0.036794 -0.002772 13H 1py -0.002246 0.007274 -0.000355 -0.009036 0.015651 0.006566 14H 1s -0.014153 -0.006591 -0.014217 0.018722 0.020309 -0.027318 14H 2s -0.014850 -0.032622 -0.031220 0.063272 0.014326 -0.058666 14H 3s 0.008017 -0.033573 0.075043 0.038884 0.017206 -0.008581 14H 1pz -0.007383 -0.009164 -0.018433 0.019789 -0.000034 -0.021647 14H 1px -0.010202 -0.009863 -0.011531 0.022484 0.012734 -0.024447 14H 1py -0.009960 -0.002061 0.000990 0.002943 0.011732 -0.005794 15H 1s 0.000495 -0.002147 0.007167 0.004790 0.011653 0.003148 15H 2s 0.000404 -0.037910 0.015349 0.042100 -0.005591 -0.007860 15H 3s 0.001228 -0.029518 0.037019 0.030619 0.007625 -0.028021 15H 1pz 0.002518 0.005468 -0.011045 -0.012763 -0.009980 0.005377 15H 1px -0.002767 -0.005729 -0.002937 0.005914 0.002652 -0.004429 15H 1py 0.000762 0.006002 0.009199 0.000612 0.007642 -0.004437 16H 1s 0.094698 0.012064 -0.048825 0.005826 0.057370 -0.018986 16H 2s 0.108184 0.004668 -0.004789 -0.064211 -0.011588 -0.045166 16H 3s 0.001883 -0.004616 0.011256 0.028219 -0.044630 -0.000418 16H 1pz 0.085690 0.006786 -0.025135 -0.020490 0.019464 -0.028632 16H 1px -0.007339 0.001430 -0.009405 0.015021 0.018093 0.000438 16H 1py 0.056579 0.005302 -0.014187 -0.006022 0.010255 -0.004699 17H 1s 0.075398 0.002642 0.006450 -0.011775 -0.064851 -0.025982 17H 2s 0.114084 0.002302 0.018480 0.001515 0.008260 -0.057646 17H 3s 0.004237 0.005723 -0.040703 -0.002650 0.019429 -0.008551 17H 1pz -0.040713 -0.003286 -0.006117 0.006320 0.029419 0.020790 17H 1px -0.059369 -0.002612 -0.003342 -0.002575 -0.001310 0.022205 17H 1py 0.063330 0.003192 -0.000958 -0.007119 -0.019455 -0.011830 18H 1s -0.075355 0.005592 -0.004144 0.010186 0.063285 -0.022380 18H 2s -0.114019 0.009625 -0.016032 -0.003024 -0.003657 -0.060002 18H 3s -0.004065 -0.012055 0.038404 0.003469 -0.018301 -0.009815 18H 1pz -0.042115 0.005826 -0.004020 0.005827 0.030443 -0.019854 18H 1px -0.059674 0.003546 -0.001839 -0.003469 -0.000349 -0.022884 18H 1py 0.061963 -0.002662 -0.002695 -0.006052 -0.018211 0.010763 19H 1s -0.094939 -0.010600 0.049458 -0.006776 -0.057837 -0.022043 19H 2s -0.108135 0.004319 0.005738 0.063560 0.014474 -0.043252 19H 3s -0.001722 -0.000484 -0.012068 -0.028023 0.044999 0.002519 19H 1pz 0.084628 0.004085 -0.025304 -0.019708 0.018242 0.028914 19H 1px -0.008036 0.003301 -0.008864 0.014883 0.017515 0.000547 19H 1py 0.058264 0.001188 -0.015859 -0.005693 0.011457 0.005567 20H 1s -0.000375 0.000984 -0.007152 -0.004556 -0.012004 0.002532 20H 2s -0.000124 -0.028419 -0.030079 -0.039899 0.006134 -0.006874 20H 3s -0.000960 -0.011445 -0.047121 -0.029403 -0.005439 -0.028152 20H 1pz 0.002721 -0.000576 -0.012285 -0.012464 -0.009808 -0.005807 20H 1px -0.002752 0.006673 0.000022 0.005897 0.002493 0.004598 20H 1py 0.000801 -0.009013 0.005948 0.001308 0.007295 0.005016 21H 1s 0.014057 -0.012580 0.009410 -0.018475 -0.018621 -0.028107 21H 2s 0.014934 -0.044213 0.012163 -0.061624 -0.010612 -0.058484 21H 3s -0.007618 0.000652 -0.081834 -0.037625 -0.016828 -0.009223 21H 1pz -0.007439 0.016895 -0.012290 0.019480 -0.001628 0.021523 21H 1px -0.010161 0.014275 -0.005518 0.021797 0.011121 0.024622 21H 1py -0.009971 0.001581 0.001960 0.003028 0.011648 0.006489 22H 1s -0.031341 -0.006307 0.007909 0.002679 0.047539 0.014499 22H 2s -0.030305 -0.029237 0.005766 -0.013073 0.121113 -0.005657 22H 3s -0.013180 0.007835 -0.099770 -0.056524 -0.064728 0.001720 22H 1pz 0.015103 0.005605 -0.002387 0.000279 -0.037115 -0.003772 22H 1px -0.018356 -0.008198 0.003429 -0.002421 0.037425 0.005356 22H 1py -0.002463 -0.006632 -0.003642 -0.008559 0.016673 -0.005207 23H 1s 0.017392 -0.007643 -0.003817 0.004007 0.020299 0.001091 23H 2s 0.025446 -0.033728 0.018695 0.004570 0.029215 -0.012623 23H 3s 0.011722 -0.014557 0.027721 -0.072101 0.006107 -0.012708 23H 1pz 0.012533 -0.000034 -0.005796 -0.007654 0.008607 -0.004465 23H 1px -0.005005 -0.000774 0.002429 0.004853 -0.007824 -0.000494 23H 1py -0.016480 0.018669 -0.007749 -0.014293 -0.014983 -0.009343 24H 1s 0.006048 0.003467 -0.006447 -0.008102 0.011500 0.005984 24H 2s 0.009721 -0.023594 0.018353 -0.021151 0.007312 0.016605 24H 3s 0.012875 -0.021794 0.019947 -0.048817 0.004639 0.017237 24H 1pz 0.004609 -0.001600 0.004087 -0.009576 0.007035 0.005367 24H 1px -0.008294 0.005719 -0.001072 0.005347 -0.008567 0.000908 24H 1py 0.007740 0.002699 -0.000905 -0.010148 0.005985 0.008638 25H 1s -0.041422 -0.012157 0.023303 0.017539 -0.028069 0.005451 25H 2s -0.052029 -0.042004 0.067654 0.038433 -0.087933 0.035364 25H 3s 0.023477 -0.015013 0.023466 -0.121557 0.046613 -0.001354 25H 1pz 0.010162 0.014880 -0.019488 -0.004797 0.017006 -0.013934 25H 1px -0.031551 -0.012561 0.023061 0.015552 -0.029304 0.005861 25H 1py 0.005336 -0.001771 -0.003015 0.000299 0.008957 0.008577 26O 1s -0.000632 -0.000037 0.000535 -0.000131 -0.000606 -0.000017 26O 2s -0.002313 -0.000028 0.001662 0.000553 -0.002053 -0.000028 26O 3s 0.063453 0.000427 -0.030065 -0.037581 0.044557 -0.002854 26O 4s -0.408701 -0.017771 0.171594 0.072028 -0.162783 0.017709 26O 5s 0.125361 0.057032 -0.059780 0.841434 -0.464170 0.068538 26O 1pz -0.033403 -0.020698 -0.005634 -0.025557 -0.036928 0.030326 26O 1px -0.002323 -0.008742 -0.012546 0.033378 -0.042942 0.019747 26O 1py -0.002595 0.023211 0.060355 0.012686 -0.013711 -0.044984 26O 2pz 0.181867 0.085187 0.002639 0.051525 0.201827 -0.128013 26O 2px 0.115510 0.029524 0.036484 -0.274393 0.225351 -0.091514 26O 2py 0.077788 -0.093954 -0.260549 -0.135193 0.106379 0.184664 26O 3pz 0.240674 0.115988 -0.091610 0.288845 0.159147 -0.023880 26O 3px 0.301649 0.059555 -0.070726 -0.202728 0.300550 -0.042803 26O 3py 0.195553 -0.073098 -0.351730 0.048204 0.143527 0.079323 26O 1dz2 -0.159111 -0.066110 0.074694 -0.090723 -0.139527 -0.060178 26O 1dxz -0.072148 0.134087 0.244528 0.186238 0.045351 -0.206645 26O 1dyz -0.200247 0.052922 0.249968 -0.075475 -0.056149 -0.023039 26O 1dx2y2 0.213790 0.173836 0.207372 0.013350 0.249960 -0.285807 26O 1dxy -0.134986 -0.211330 -0.388693 -0.052448 -0.045922 0.256447 26O 2dz2 0.116324 0.035342 -0.079991 0.014060 0.130121 0.068822 26O 2dxz -0.120453 -0.176135 -0.185045 -0.196541 -0.183343 0.256882 26O 2dyz 0.091541 -0.056730 -0.177295 0.051311 -0.002550 0.039586 26O 2dx2y2 -0.136999 -0.191911 -0.319375 0.049529 -0.226532 0.329114 26O 2dxy 0.066171 0.225802 0.454075 0.117105 -0.009262 -0.300472 26O 1f0 -0.143417 -0.056201 0.009801 -0.047603 -0.125904 0.081246 26O 1f+1 0.087340 0.018270 -0.024822 0.038371 0.028779 -0.028977 26O 1f-1 0.019733 0.042833 0.070163 0.042814 0.010755 -0.072998 26O 1f+2 0.132648 0.081249 0.047925 0.047300 0.118755 -0.109287 26O 1f-2 0.143927 0.052367 -0.026808 0.048368 0.127190 -0.058300 26O 1f+3 0.066478 -0.117153 -0.304664 0.000178 -0.003517 0.202074 26O 1f-3 0.033089 0.048081 0.097553 0.041401 -0.019396 -0.074802 27O 1s -0.000249 0.000192 -0.000196 -0.000064 0.000540 0.000402 27O 2s -0.000869 0.000385 0.000525 -0.000104 0.001719 0.000949 27O 3s 0.033973 0.001896 -0.037530 -0.009162 -0.048861 0.012478 27O 4s -0.321651 -0.012984 0.079188 0.041986 0.248121 -0.210388 27O 5s 0.363704 -0.110268 0.751971 0.226637 0.435034 0.101732 27O 1pz -0.021395 0.025159 -0.003478 -0.039967 0.023571 0.014172 27O 1px 0.017422 0.002913 0.028493 0.003123 0.042648 0.012703 27O 1py 0.017155 0.013817 0.029374 -0.033763 -0.025953 0.037043 27O 2pz 0.091442 -0.097643 0.008928 0.151439 -0.130802 -0.073273 27O 2px 0.000550 0.018923 -0.273139 -0.056440 -0.267488 0.017930 27O 2py -0.099360 -0.064592 -0.064416 0.166650 0.185214 -0.176475 27O 3pz 0.110059 -0.165946 0.155543 0.181849 -0.120570 0.004646 27O 3px 0.214377 0.006977 -0.151865 -0.090269 -0.406314 0.070552 27O 3py -0.245142 -0.046654 -0.286786 0.108907 0.181100 -0.082307 27O 1dz2 0.040912 0.123086 0.047766 -0.098223 0.092866 0.005715 27O 1dxz -0.082131 -0.241291 -0.074059 0.429290 0.049893 -0.299766 27O 1dyz 0.182353 -0.005812 0.192124 -0.057605 -0.134203 0.233527 27O 1dx2y2 0.144029 -0.037878 0.070640 0.039649 -0.276670 -0.023303 27O 1dxy 0.156194 -0.152056 -0.159450 0.225960 -0.172765 -0.067647 27O 2dz2 -0.033286 -0.091803 -0.083952 0.063173 -0.117190 -0.000417 27O 2dxz -0.036958 0.273449 0.045009 -0.451882 0.092144 0.266442 27O 2dyz -0.142735 -0.015808 -0.171203 0.082737 0.104981 -0.211699 27O 2dx2y2 -0.061438 0.048159 0.055619 -0.069465 0.240913 0.088235 27O 2dxy -0.009201 0.169364 0.184275 -0.300785 -0.011256 0.194353 27O 1f0 -0.087815 0.081477 -0.013657 -0.116894 0.118167 0.028094 27O 1f+1 0.030559 0.022445 0.022307 -0.026945 0.030116 0.034061 27O 1f-1 0.032642 0.029781 0.031575 -0.057639 -0.046220 0.042246 27O 1f+2 0.106902 -0.094415 -0.011373 0.129231 -0.142700 -0.049455 27O 1f-2 -0.027880 0.052864 0.011685 -0.078327 0.052218 0.042814 27O 1f+3 0.125456 0.052007 0.106296 -0.116630 -0.075610 0.176219 27O 1f-3 0.110832 0.057565 0.098108 -0.146548 -0.155147 0.141943 28O 1s -0.000318 0.000088 0.000171 -0.000163 0.000095 0.000126 28O 2s -0.001003 0.000200 0.000504 0.000367 -0.000457 0.000399 28O 3s -0.012690 -0.003921 0.006186 -0.034631 0.013250 -0.002116 28O 4s 0.274962 0.012632 -0.081169 0.045662 0.003272 -0.027771 28O 5s -0.242842 0.068669 -0.166048 0.962204 -0.117555 0.083303 28O 1pz 0.005161 -0.011629 -0.044588 0.009797 0.019179 0.003696 28O 1px 0.022193 -0.012734 -0.013442 -0.048328 -0.001585 -0.002459 28O 1py 0.027932 0.028306 0.034747 0.002399 0.035726 -0.008605 28O 2pz -0.091387 0.035587 0.223917 -0.167623 -0.058215 -0.022188 28O 2px -0.046980 0.052436 0.044598 0.285234 -0.055239 -0.002453 28O 2py -0.139595 -0.119989 -0.119219 -0.054088 -0.156172 0.051644 28O 3pz -0.319080 0.042253 0.327391 0.045213 -0.246012 0.042673 28O 3px 0.124538 0.075290 -0.040053 0.310947 -0.003958 0.039563 28O 3py -0.204271 -0.120277 -0.081807 0.095353 -0.220767 -0.041998 28O 1dz2 0.245693 0.129940 0.135180 0.082138 0.140618 -0.139402 28O 1dxz 0.042657 -0.083292 -0.232145 -0.060608 0.137030 -0.030648 28O 1dyz 0.218951 -0.109837 -0.329939 -0.124146 0.074348 0.054609 28O 1dx2y2 -0.152954 -0.135495 -0.069643 -0.111819 -0.148233 -0.044644 28O 1dxy 0.109337 0.222316 0.363926 -0.034223 0.204929 -0.077269 28O 2dz2 -0.093338 -0.153565 -0.280115 -0.092904 -0.054327 0.130586 28O 2dxz -0.044527 0.073651 0.244399 -0.036945 -0.111651 0.018054 28O 2dyz -0.086095 0.146647 0.310545 0.123085 0.014209 -0.071016 28O 2dx2y2 0.022314 0.114544 0.115482 0.165072 0.043325 0.046906 28O 2dxy -0.197313 -0.254039 -0.352249 0.004197 -0.269334 0.092863 28O 1f0 -0.087749 0.053556 0.149542 0.047797 -0.035825 -0.025276 28O 1f+1 0.092276 -0.069328 -0.228747 -0.028160 0.076928 0.030765 28O 1f-1 -0.064911 -0.027420 -0.000418 0.006457 -0.072986 0.019908 28O 1f+2 0.108717 0.021282 -0.002763 -0.044380 0.051542 -0.014584 28O 1f-2 0.142033 0.119786 0.114028 0.039798 0.145884 -0.045177 28O 1f+3 0.121805 -0.005033 -0.075924 -0.035875 0.070168 -0.023744 28O 1f-3 0.094207 0.090786 0.105179 0.019143 0.102836 -0.033472 29O 1s -0.003631 -0.000285 0.000770 0.000235 0.000210 0.000460 29O 2s -0.011949 -0.000951 0.002491 0.000791 0.000677 0.001873 29O 3s 0.167884 0.013214 -0.032422 -0.013125 -0.008892 -0.032532 29O 4s -0.402128 -0.032599 0.080552 0.028562 0.023303 0.075900 29O 5s 0.152351 0.019910 -0.080155 0.027341 -0.029539 0.050923 29O 1pz -0.008412 -0.002500 0.012815 0.001223 -0.022377 0.001981 29O 1px 0.009408 0.000196 0.002428 -0.000442 -0.006902 -0.005647 29O 1py -0.019141 -0.001449 0.001666 0.002550 0.002219 0.006166 29O 2pz 0.050267 0.009713 -0.053559 -0.016093 0.083840 -0.010193 29O 2px -0.071614 -0.002795 -0.009478 0.007826 0.028981 0.028891 29O 2py 0.118856 0.008993 -0.012286 -0.014925 -0.011609 -0.038785 29O 3pz 0.016567 -0.000010 0.010248 -0.014991 -0.066047 0.000091 29O 3px -0.072643 -0.009034 0.043168 -0.020265 -0.000754 0.015196 29O 3py 0.011242 -0.003358 0.012249 -0.010847 0.008284 -0.023935 29O 1dz2 0.057910 0.004303 -0.023557 0.022772 0.044267 -0.000389 29O 1dxz 0.006915 -0.002026 0.006008 -0.032284 -0.043027 -0.014165 29O 1dyz -0.005294 0.008682 -0.034711 -0.007406 0.027866 0.000220 29O 1dx2y2 0.036362 0.001854 -0.006005 -0.025098 -0.027891 0.034456 29O 1dxy -0.009659 -0.006053 0.021050 -0.019366 0.035618 0.014972 29O 2dz2 -0.098326 -0.008075 0.035834 -0.009885 -0.053092 0.012019 29O 2dxz -0.035824 0.001028 -0.011763 0.028889 0.054650 0.021890 29O 2dyz -0.004838 -0.008993 0.043658 0.012472 -0.045744 0.000106 29O 2dx2y2 -0.024604 -0.000934 0.000968 0.019496 0.029149 -0.030395 29O 2dxy 0.044298 0.006625 -0.014569 0.012611 -0.040160 -0.026129 29O 1f0 0.072282 0.006376 -0.013354 -0.004265 -0.003437 -0.015553 29O 1f+1 -0.033981 -0.002894 0.010888 0.000468 -0.008083 0.005914 29O 1f-1 0.074151 0.006336 -0.025694 -0.001443 0.027003 -0.018288 29O 1f+2 -0.034504 -0.003131 0.010016 0.005045 0.001597 0.004810 29O 1f-2 0.036140 0.000744 0.009103 -0.009673 -0.042524 -0.015694 29O 1f+3 -0.024114 -0.001774 0.002476 0.002428 0.010244 0.003984 29O 1f-3 -0.023641 0.000325 -0.007249 0.008070 0.021610 0.005709 30O 1s -0.000023 0.000109 -0.000014 -0.000207 -0.000137 -0.000211 30O 2s 0.000303 0.000271 0.000673 -0.000429 0.000003 -0.000224 30O 3s -0.034649 0.000467 -0.036195 0.000919 0.007308 -0.022797 30O 4s 0.296376 0.008623 0.058902 -0.043292 -0.172392 0.223580 30O 5s -0.050836 -0.167356 0.912356 0.264391 0.246191 -0.048072 30O 1pz 0.001737 0.023553 0.036971 -0.046013 -0.013031 0.040043 30O 1px 0.012133 0.013516 -0.037724 -0.022015 -0.023200 0.022047 30O 1py -0.012786 0.019536 -0.009136 -0.020896 0.042278 0.010836 30O 2pz -0.073646 -0.077781 -0.233939 0.169523 0.054960 -0.214668 30O 2px 0.007335 -0.062005 0.209705 0.113079 0.123293 -0.035836 30O 2py 0.133898 -0.094083 0.146472 0.101831 -0.185477 -0.005697 30O 3pz -0.200520 -0.123274 -0.111708 0.214202 0.238810 -0.084238 30O 3px 0.125290 -0.071848 0.284213 0.109132 0.026428 0.029631 30O 3py 0.234152 -0.106341 -0.025276 0.010553 -0.464864 0.026392 30O 1dz2 0.031709 -0.170120 -0.008283 0.321888 -0.020765 -0.298528 30O 1dxz 0.064931 0.225896 0.146595 -0.348908 -0.095461 0.196359 30O 1dyz -0.200114 -0.007596 0.062711 0.008624 0.165918 -0.062271 30O 1dx2y2 -0.191248 0.019035 -0.109936 0.055486 0.137790 -0.176486 30O 1dxy -0.081849 0.171864 0.118569 -0.182568 0.303933 0.081901 30O 2dz2 0.007903 0.216328 0.034802 -0.400257 -0.027796 0.365678 30O 2dxz -0.043254 -0.215834 -0.207436 0.333316 0.032464 -0.206874 30O 2dyz 0.088197 -0.008237 -0.115814 0.037777 -0.055809 -0.027037 30O 2dx2y2 0.033790 -0.003121 0.111190 -0.024172 0.080429 0.080454 30O 2dxy 0.102299 -0.195836 -0.048337 0.223592 -0.292842 -0.106970 30O 1f0 -0.027762 -0.019383 0.009142 0.034723 0.004417 -0.048151 30O 1f+1 0.033425 0.118426 0.065166 -0.205206 -0.033689 0.177626 30O 1f-1 0.028821 0.095894 0.059687 -0.163144 -0.033145 0.144045 30O 1f+2 0.121152 -0.045690 -0.033735 0.026914 -0.205054 0.045902 30O 1f-2 -0.018608 -0.005065 -0.061418 0.034593 0.055231 -0.018292 30O 1f+3 0.119091 -0.054663 -0.006458 0.045518 -0.203308 -0.007987 30O 1f-3 0.082982 0.045404 0.002968 -0.088903 -0.092492 0.103473 31O 1s 0.000036 0.000090 0.000071 0.000198 0.000146 -0.000210 31O 2s -0.000264 0.000516 -0.000463 0.000398 0.000008 -0.000253 31O 3s 0.034372 -0.014724 0.032862 -0.000573 -0.006285 -0.022696 31O 4s -0.297235 0.034049 -0.050376 0.042705 0.162120 0.230651 31O 5s 0.052661 0.229615 -0.897069 -0.263266 -0.242037 -0.057332 31O 1pz 0.001902 -0.038792 0.022393 -0.045294 -0.010452 -0.040674 31O 1px 0.012401 0.003011 -0.040036 -0.021901 -0.021928 -0.023090 31O 1py -0.012685 -0.014329 -0.017217 -0.020355 0.043307 -0.007912 31O 2pz -0.074590 0.176549 -0.174669 0.166731 0.041702 0.216931 31O 2px 0.006590 -0.028944 0.217403 0.112709 0.120569 0.042578 31O 2py 0.133724 0.025305 0.175539 0.099817 -0.188037 -0.006747 31O 3pz -0.201147 0.167018 -0.046769 0.209320 0.236213 0.097658 31O 3px 0.124733 -0.053013 0.288721 0.107922 0.026675 -0.028607 31O 3py 0.234152 0.106035 0.024420 0.006599 -0.465438 -0.054810 31O 1dz2 -0.030035 -0.168699 -0.072020 -0.318044 0.041253 -0.294698 31O 1dxz -0.066281 0.279553 -0.030442 0.341051 0.083100 0.200482 31O 1dyz 0.201149 0.018948 -0.058067 -0.008691 -0.164885 -0.071550 31O 1dx2y2 0.192584 -0.032349 0.106419 -0.056668 -0.127856 -0.184135 31O 1dxy 0.081693 0.211545 -0.029376 0.176235 -0.311534 0.061140 31O 2dz2 -0.010053 0.224736 0.068994 0.395007 0.003262 0.364238 31O 2dxz 0.044350 -0.295561 0.089444 -0.325464 -0.019065 -0.207058 31O 2dyz -0.088545 -0.057998 0.099209 -0.037209 0.059100 -0.023965 31O 2dx2y2 -0.034108 0.045243 -0.100260 0.024129 -0.086119 0.074981 31O 2dxy -0.101866 -0.204666 -0.045187 -0.217126 0.302292 -0.086616 31O 1f0 -0.028234 0.014951 0.017159 0.034485 0.001282 0.047867 31O 1f+1 0.034435 -0.142322 0.004409 -0.201880 -0.022195 -0.178215 31O 1f-1 0.029667 -0.118063 0.009900 -0.160326 -0.023820 -0.144838 31O 1f+2 0.121810 0.055830 -0.009342 0.024806 -0.204156 -0.058742 31O 1f-2 -0.018498 0.032122 -0.052597 0.034168 0.054036 0.021779 31O 1f+3 0.119287 0.052987 0.019535 0.043629 -0.205588 -0.004993 31O 1f-3 0.083842 -0.045896 -0.017685 -0.087982 -0.086765 -0.108312 32O 1s 0.003634 0.000070 -0.000838 -0.000193 -0.000158 0.000455 32O 2s 0.011958 0.000199 -0.002719 -0.000653 -0.000540 0.001854 32O 3s -0.167980 -0.001727 0.035662 0.011191 0.007681 -0.032242 32O 4s 0.402318 0.004522 -0.088363 -0.024192 -0.020737 0.075036 32O 5s -0.152531 -0.017306 0.082994 -0.027844 0.021648 0.052176 32O 1pz -0.007962 -0.003262 0.012501 0.001195 -0.022305 -0.002949 32O 1px 0.009644 -0.001227 0.001978 -0.000169 -0.006677 0.005299 32O 1py -0.019327 0.000538 0.002536 0.002265 0.001573 -0.006068 32O 2pz 0.047426 0.013948 -0.051895 -0.015888 0.083605 0.012536 32O 2px -0.072834 0.006779 -0.006749 0.006608 0.028755 -0.028062 32O 2py 0.119607 -0.002736 -0.016582 -0.013641 -0.009834 0.038339 32O 3pz 0.015995 -0.005097 0.009039 -0.014936 -0.065493 -0.005012 32O 3px -0.072523 -0.011151 0.042573 -0.020045 0.000351 -0.015615 32O 3py 0.010928 -0.002916 0.013902 -0.011422 0.003461 0.024324 32O 1dz2 -0.058222 -0.007213 0.022355 -0.024007 -0.044970 -0.002660 32O 1dxz -0.007147 0.002343 -0.006312 0.031244 0.042786 -0.012339 32O 1dyz 0.002087 -0.007085 0.035490 0.008132 -0.028265 -0.001285 32O 1dx2y2 -0.036466 0.000125 0.006722 0.024824 0.025842 0.034829 32O 1dxy 0.008855 0.004758 -0.021942 0.020225 -0.034188 0.012697 32O 2dz2 0.098492 0.008418 -0.034561 0.011596 0.052432 0.014529 32O 2dxz 0.036261 -0.005632 0.011238 -0.027379 -0.054996 0.019802 32O 2dyz 0.009535 0.010534 -0.044083 -0.013552 0.046346 0.002422 32O 2dx2y2 0.024816 -0.001417 -0.001375 -0.019134 -0.027946 -0.030845 32O 2dxy -0.043032 -0.001277 0.016606 -0.013911 0.038582 -0.023768 32O 1f0 0.067506 -0.000381 -0.013484 -0.003238 -0.004563 0.014063 32O 1f+1 -0.037000 -0.001899 0.011307 0.000542 -0.006836 -0.007449 32O 1f-1 0.076945 0.005363 -0.026280 -0.000658 0.026567 0.020259 32O 1f+2 -0.038060 -0.001359 0.011099 0.005251 0.001770 -0.005721 32O 1f-2 0.034439 -0.005136 0.008437 -0.008801 -0.042747 0.013224 32O 1f+3 -0.022768 0.000284 0.003536 0.001933 0.008653 -0.003153 32O 1f-3 -0.022911 0.003215 -0.006710 0.007431 0.021110 -0.004592 33O 1s 0.000322 0.000152 -0.000116 0.000169 -0.000084 0.000118 33O 2s 0.001015 0.000369 -0.000370 -0.000349 0.000493 0.000423 33O 3s 0.012395 0.000489 -0.007071 0.034491 -0.013670 -0.002770 33O 4s -0.273756 -0.024932 0.077429 -0.046213 -0.002558 -0.030600 33O 5s 0.244411 -0.045784 0.177900 -0.961642 0.115816 0.097106 33O 1pz 0.005186 0.030378 -0.035534 0.008922 0.019728 -0.002162 33O 1px 0.022175 0.015428 -0.007062 -0.048746 -0.001029 0.002874 33O 1py 0.027935 -0.040368 0.019820 0.003943 0.034589 0.010677 33O 2pz -0.090769 -0.135946 0.187441 -0.164028 -0.061084 0.017204 33O 2px -0.047404 -0.056103 0.019740 0.287205 -0.057843 -0.003130 33O 2py -0.139588 0.157303 -0.058726 -0.060586 -0.150461 -0.060722 33O 3pz -0.319229 -0.176747 0.276701 0.048235 -0.246338 -0.063711 33O 3px 0.123762 -0.038864 -0.067723 0.313150 -0.002073 -0.040133 33O 3py -0.205180 0.146902 -0.023250 0.089311 -0.223413 0.025891 33O 1dz2 -0.244990 0.173150 -0.070740 -0.089917 -0.129891 -0.147985 33O 1dxz -0.042523 -0.174533 0.174743 0.065688 -0.135683 -0.040847 33O 1dyz -0.219705 -0.236016 0.251805 0.130252 -0.083347 0.045289 33O 1dx2y2 0.153254 -0.146907 0.005539 0.117177 0.150496 -0.035288 33O 1dxy -0.109629 0.358485 -0.236989 0.021623 -0.197148 -0.087843 33O 2dz2 0.093210 -0.256942 0.191560 0.102439 0.042789 0.131905 33O 2dxz 0.044263 0.174798 -0.189917 0.031819 0.111035 0.026505 33O 2dyz 0.086733 0.260491 -0.219017 -0.131013 -0.004472 -0.067908 33O 2dx2y2 -0.022405 0.146171 -0.056034 -0.169637 -0.044503 0.045454 33O 2dxy 0.197676 -0.380811 0.213458 0.009960 0.260153 0.107896 33O 1f0 -0.087242 -0.111058 0.112833 0.050807 -0.039146 0.021122 33O 1f+1 0.092169 0.161277 -0.178588 -0.032941 0.080989 -0.023649 33O 1f-1 -0.064822 0.024311 0.011310 0.005161 -0.071511 -0.024491 33O 1f+2 0.108737 -0.020194 -0.011039 -0.042791 0.051711 0.018666 33O 1f-2 0.142124 -0.154984 0.053304 0.045856 0.141145 0.053881 33O 1f+3 0.122023 0.035779 -0.066250 -0.036069 0.070017 0.029633 33O 1f-3 0.094344 -0.126530 0.057834 0.024062 0.099337 0.039430 34O 1s 0.000251 0.000085 0.000260 0.000061 -0.000560 0.000353 34O 2s 0.000881 0.000554 -0.000307 0.000091 -0.001774 0.000795 34O 3s -0.034348 -0.013616 0.034682 0.009443 0.048545 0.015935 34O 4s 0.323887 0.019044 -0.076529 -0.043447 -0.239248 -0.225959 34O 5s -0.362707 0.212970 -0.726316 -0.225831 -0.439564 0.075576 34O 1pz -0.021482 -0.022571 -0.014692 -0.038942 0.025392 -0.012252 34O 1px 0.017221 -0.014528 0.024357 0.003380 0.043569 -0.009849 34O 1py 0.017472 -0.026375 0.020207 -0.033171 -0.023416 -0.038440 34O 2pz 0.091732 0.089241 0.053178 0.147563 -0.139151 0.063311 34O 2px 0.001853 0.096590 -0.254423 -0.057785 -0.268431 -0.034728 34O 2py -0.100845 0.092636 -0.028603 0.164493 0.173603 0.186844 34O 3pz 0.110303 0.089015 0.213638 0.175681 -0.122464 -0.014172 34O 3px 0.215027 0.053964 -0.140008 -0.091527 -0.404124 -0.095827 34O 3py -0.245125 0.169149 -0.237930 0.105196 0.175451 0.094228 34O 1dz2 -0.040739 0.134930 0.010289 0.093092 -0.093477 -0.000891 34O 1dxz 0.083177 -0.265043 -0.043192 -0.420292 -0.026560 -0.298172 34O 1dyz -0.183965 0.079726 -0.175611 0.057854 0.119857 0.240859 34O 1dx2y2 -0.145150 -0.004351 -0.082571 -0.038607 0.281623 -0.004906 34O 1dxy -0.156335 -0.212882 0.074473 -0.218675 0.182371 -0.055856 34O 2dz2 0.032904 -0.120755 0.036029 -0.058960 0.117763 0.007579 34O 2dxz 0.036569 0.281815 0.084430 0.441432 -0.115569 0.255788 34O 2dyz 0.144092 -0.091054 0.146826 -0.082138 -0.091305 -0.217165 34O 2dx2y2 0.062084 0.068851 -0.026978 0.067495 -0.249747 0.071682 34O 2dxy 0.008250 0.242508 -0.089117 0.293280 -0.005219 0.193234 34O 1f0 -0.088290 -0.071375 -0.049940 -0.113665 0.123053 -0.019535 34O 1f+1 0.030416 -0.030712 0.010181 -0.026127 0.032504 -0.031625 34O 1f-1 0.032986 -0.042631 0.015094 -0.056356 -0.043265 -0.044721 34O 1f+2 0.107296 0.094080 0.032975 0.125270 -0.149167 0.039122 34O 1f-2 -0.027918 -0.055410 -0.013769 -0.076410 0.056618 -0.038860 34O 1f+3 0.126428 -0.096926 0.072289 -0.114688 -0.064225 -0.179500 34O 1f-3 0.111901 -0.099753 0.062255 -0.144044 -0.145437 -0.150509 35O 1s 0.000631 0.000201 -0.000501 0.000129 0.000612 0.000023 35O 2s 0.002316 0.000669 -0.001525 -0.000556 0.002086 0.000109 35O 3s -0.063615 -0.011268 0.027561 0.037460 -0.045294 -0.006077 35O 4s 0.408787 0.055992 -0.162824 -0.070832 0.166044 0.030662 35O 5s -0.120967 -0.005161 0.077082 -0.841895 0.461971 0.100992 35O 1pz -0.033268 0.020112 0.003476 -0.026634 -0.035297 -0.032745 35O 1px -0.002462 0.014544 -0.007510 0.032755 -0.041980 -0.022612 35O 1py -0.002757 -0.046468 0.044745 0.014251 -0.016489 0.043416 35O 2pz 0.181376 -0.075803 -0.032905 0.056011 0.194961 0.141775 35O 2px 0.116516 -0.052295 0.019724 -0.271447 0.222195 0.107236 35O 2py 0.078960 0.192223 -0.196250 -0.141483 0.118857 -0.174311 35O 3pz 0.238927 -0.053314 -0.132665 0.293091 0.158708 0.034763 35O 3px 0.301558 -0.028889 -0.090490 -0.200310 0.300649 0.064293 35O 3py 0.195303 0.219450 -0.286269 0.042440 0.146869 -0.067662 35O 1dz2 0.158506 -0.023503 -0.096282 0.092637 0.144976 -0.049458 35O 1dxz 0.072579 0.219898 -0.165289 -0.194511 -0.032020 -0.206942 35O 1dyz 0.199679 0.158753 -0.202929 0.072176 0.057386 -0.017215 35O 1dx2y2 -0.213587 0.245085 -0.114575 -0.023631 -0.233130 -0.301115 35O 1dxy 0.133857 -0.355181 0.261370 0.065252 0.031590 0.256142 35O 2dz2 -0.116200 -0.003672 0.088352 -0.014663 -0.136058 0.058681 35O 2dxz 0.119577 -0.231435 0.094244 0.206785 0.168072 0.267254 35O 2dyz -0.091076 -0.129947 0.136096 -0.047869 0.000940 0.038569 35O 2dx2y2 0.136613 -0.312138 0.207804 -0.037425 0.206985 0.341866 35O 2dxy -0.064458 0.394116 -0.314608 -0.130961 0.027227 -0.295408 35O 1f0 -0.143000 0.044592 0.031922 -0.050560 -0.121709 -0.090000 35O 1f+1 0.086922 -0.004277 -0.029522 0.039239 0.027126 0.030985 35O 1f-1 0.019234 -0.067362 0.045774 0.045621 0.006467 0.073008 35O 1f+2 0.131964 -0.091835 0.009405 0.051615 0.112538 0.116753 35O 1f-2 0.143680 -0.034001 -0.045725 0.051007 0.124769 0.067536 35O 1f+3 0.067245 0.237037 -0.225823 -0.007612 0.009326 -0.199489 35O 1f-3 0.032522 -0.083317 0.067745 0.044459 -0.023770 0.072235 714 715 716 717 718 719 6.79210 6.79318 6.84564 6.87051 6.87335 6.89181 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s -0.000034 -0.000002 -0.000016 -0.000054 0.000000 0.000086 0Rh 2s 0.000720 -0.000056 -0.000060 -0.000163 0.000146 -0.000562 0Rh 3s 0.000215 -0.000046 -0.000130 -0.000421 0.000086 0.000196 0Rh 4s -0.004451 0.000319 0.000263 0.000749 -0.000892 0.003799 0Rh 5s 0.014335 -0.001054 -0.000942 -0.004014 0.003321 -0.011364 0Rh 6s -0.027128 0.002222 0.002020 0.015923 -0.008615 0.015630 0Rh 7s 0.113889 -0.002489 0.003572 -0.089079 0.046982 -0.039876 0Rh 8s -0.042728 -0.007293 0.007939 0.045611 -0.016308 0.039652 0Rh 1pz 0.044892 -0.016930 -0.000050 -0.008541 0.041099 -0.001467 0Rh 1px 0.007836 -0.012500 0.000261 0.009299 0.013007 0.001294 0Rh 1py 0.023135 0.035461 -0.000140 -0.039981 -0.007960 -0.000407 0Rh 2pz -0.190711 0.071956 0.000212 0.036254 -0.174468 0.006232 0Rh 2px -0.033282 0.053107 -0.001102 -0.039477 -0.055210 -0.005482 0Rh 2py -0.098294 -0.150669 0.000594 0.169693 0.033821 0.001750 0Rh 3pz 0.676455 -0.255793 -0.000739 -0.127921 0.616002 -0.022013 0Rh 3px 0.117753 -0.188431 0.003774 0.139461 0.194773 0.018934 0Rh 3py 0.348744 0.534746 -0.002065 -0.598594 -0.119931 -0.006689 0Rh 4pz -0.995434 0.377425 0.001071 0.186997 -0.902050 0.032048 0Rh 4px -0.171421 0.277342 -0.005218 -0.204512 -0.284499 -0.025827 0Rh 4py -0.512661 -0.787067 0.002925 0.875205 0.176520 0.011794 0Rh 5pz 0.641222 -0.242466 -0.000966 -0.122360 0.596721 -0.020933 0Rh 5px 0.103744 -0.178266 0.003205 0.134988 0.186769 0.013200 0Rh 5py 0.326089 0.504335 -0.001792 -0.577481 -0.115865 -0.013817 0Rh 6pz 0.261770 -0.095949 0.017135 -0.071677 0.363342 0.016140 0Rh 6px 0.085705 -0.074513 -0.013681 0.069434 0.114778 -0.013383 0Rh 6py 0.162412 0.240450 0.007494 -0.377481 -0.050176 0.070780 0Rh 1dz2 -0.002688 -0.002116 -0.000032 0.000515 0.001229 -0.005161 0Rh 1dxz 0.002824 -0.002967 -0.000135 0.001099 -0.002907 -0.002419 0Rh 1dyz -0.000558 0.001520 0.000082 -0.000863 -0.000928 0.002429 0Rh 1dx2y2 0.000626 -0.003495 -0.000160 -0.001539 -0.000592 -0.003297 0Rh 1dxy 0.001885 0.002665 0.000031 0.003092 0.000023 -0.000375 0Rh 2dz2 0.000565 0.000415 -0.000016 0.000309 -0.001470 0.000565 0Rh 2dxz -0.000718 0.000859 0.000073 -0.000378 0.002550 0.000432 0Rh 2dyz 0.000266 -0.000904 0.000047 0.000947 0.000719 0.000029 0Rh 2dx2y2 0.000101 0.000794 0.000025 0.000523 0.001015 -0.000332 0Rh 2dxy -0.000246 -0.000713 -0.000001 -0.003218 -0.000099 -0.000135 0Rh 3dz2 0.013184 0.010324 0.000250 -0.004702 0.000459 0.027789 0Rh 3dxz -0.013411 0.013249 0.000400 -0.004539 0.003837 0.012189 0Rh 3dyz 0.001875 -0.004089 -0.000734 0.000164 0.001738 -0.014662 0Rh 3dx2y2 -0.004294 0.016778 0.000856 0.006368 -0.001850 0.021358 0Rh 3dxy -0.010157 -0.012369 -0.000169 -0.001450 0.000425 0.002943 0Rh 4dz2 -0.037629 -0.027201 -0.000485 0.014983 -0.007894 -0.075826 0Rh 4dxz 0.039403 -0.035677 -0.000607 0.011230 0.000300 -0.032716 0Rh 4dyz -0.003862 0.005547 0.002344 0.003620 -0.001894 0.041787 0Rh 4dx2y2 0.013395 -0.046768 -0.002745 -0.015744 0.009890 -0.061414 0Rh 4dxy 0.030777 0.035196 0.000394 -0.009738 -0.001981 -0.008955 0Rh 5dz2 0.084928 0.045176 -0.001422 -0.039908 0.039619 0.125481 0Rh 5dxz -0.088098 0.065550 -0.001131 -0.019795 -0.035383 0.050808 0Rh 5dyz 0.005031 0.027589 -0.007334 -0.026642 -0.004228 -0.075579 0Rh 5dx2y2 -0.038303 0.094105 0.007173 0.028209 -0.037385 0.118824 0Rh 5dxy -0.075500 -0.072403 -0.001375 0.064735 0.006420 0.022272 0Rh 1f0 0.000421 0.026833 -0.000445 -0.008128 -0.005014 -0.000116 0Rh 1f+1 0.006027 0.003919 0.000264 -0.003959 0.008262 -0.000059 0Rh 1f-1 0.052459 0.012619 -0.000088 -0.015803 0.011318 -0.000730 0Rh 1f+2 -0.028963 0.029614 0.000049 -0.002872 -0.020341 0.000031 0Rh 1f-2 0.015349 0.022160 0.000066 -0.014662 -0.006064 -0.000396 0Rh 1f+3 0.011114 -0.022029 0.000439 0.006502 0.012794 -0.000580 0Rh 1f-3 -0.000997 0.006526 0.000145 -0.011282 -0.001977 -0.000571 1Rh 1s -0.000028 0.000004 0.000017 -0.000054 0.000003 -0.000085 1Rh 2s 0.000661 -0.000115 0.000040 -0.000153 0.000147 0.000548 1Rh 3s 0.000218 -0.000045 0.000130 -0.000418 0.000104 -0.000197 1Rh 4s -0.004073 0.000693 -0.000137 0.000688 -0.000884 -0.003708 1Rh 5s 0.013208 -0.002166 0.000555 -0.003821 0.003320 0.011069 1Rh 6s -0.025525 0.003795 -0.001403 0.015592 -0.008771 -0.015073 1Rh 7s 0.110866 -0.005964 -0.005760 -0.087829 0.047815 0.037340 1Rh 8s -0.042108 -0.007182 -0.007111 0.045881 -0.016218 -0.039095 1Rh 1pz -0.044759 0.016758 0.000071 0.008587 -0.041180 -0.000773 1Rh 1px -0.007846 0.012405 0.000296 -0.009274 -0.012998 0.001494 1Rh 1py -0.023191 -0.035427 -0.000114 0.039943 0.007999 -0.000671 1Rh 2pz 0.190148 -0.071220 -0.000304 -0.036450 0.174812 0.003284 1Rh 2px 0.033325 -0.052701 -0.001248 0.039373 0.055176 -0.006328 1Rh 2py 0.098530 0.150522 0.000482 -0.169531 -0.033987 0.002873 1Rh 3pz -0.674477 0.253129 0.001094 0.128654 -0.617232 -0.011568 1Rh 3px -0.117911 0.186996 0.004281 -0.139103 -0.194728 0.021925 1Rh 3py -0.349604 -0.534209 -0.001644 0.598029 0.120514 -0.010677 1Rh 4pz 0.992513 -0.373278 -0.001639 -0.188206 0.903865 0.016674 1Rh 4px 0.171672 -0.275226 -0.005923 0.204037 0.284753 -0.030178 1Rh 4py 0.514018 0.786203 0.002258 -0.874367 -0.177361 0.017681 1Rh 5pz -0.639110 0.239125 0.000886 0.123509 -0.597932 -0.010703 1Rh 5px -0.103990 0.176782 0.003571 -0.134772 -0.187677 0.015920 1Rh 5py -0.327169 -0.503570 -0.001329 0.576837 0.116448 -0.017693 1Rh 6pz -0.261989 0.098408 0.017162 0.067683 -0.361584 0.023491 1Rh 6px -0.082952 0.075608 -0.012737 -0.070169 -0.113118 -0.009718 1Rh 6py -0.163332 -0.240986 0.007196 0.378496 0.048039 0.067871 1Rh 1dz2 -0.002696 -0.002053 0.000015 0.000554 0.001275 0.005144 1Rh 1dxz 0.002860 -0.002974 0.000119 0.001072 -0.002902 0.002462 1Rh 1dyz -0.000498 0.001668 -0.000078 -0.000792 -0.000961 -0.002404 1Rh 1dx2y2 0.000714 -0.003497 0.000168 -0.001539 -0.000522 0.003309 1Rh 1dxy 0.001899 0.002746 -0.000037 0.003099 -0.000014 0.000354 1Rh 2dz2 0.000550 0.000332 0.000027 0.000279 -0.001491 -0.000539 1Rh 2dxz -0.000738 0.000880 -0.000066 -0.000375 0.002525 -0.000463 1Rh 2dyz 0.000186 -0.001117 -0.000046 0.000891 0.000713 -0.000041 1Rh 2dx2y2 0.000046 0.000758 -0.000032 0.000545 0.001060 0.000310 1Rh 2dxy -0.000273 -0.000818 0.000005 -0.003217 -0.000055 0.000149 1Rh 3dz2 0.013314 0.010391 -0.000212 -0.004778 0.000294 -0.027827 1Rh 3dxz -0.013521 0.013179 -0.000344 -0.004389 0.003941 -0.012275 1Rh 3dyz 0.001945 -0.003826 0.000704 0.000033 0.001970 0.014573 1Rh 3dx2y2 -0.004525 0.016980 -0.000863 0.006254 -0.002503 -0.021314 1Rh 3dxy -0.010093 -0.012290 0.000184 -0.001496 0.000413 -0.002896 1Rh 4dz2 -0.038106 -0.027827 0.000432 0.015065 -0.007579 0.076062 1Rh 4dxz 0.039655 -0.035335 0.000473 0.010782 -0.000164 0.032807 1Rh 4dyz -0.004493 0.003636 -0.002242 0.003757 -0.002570 -0.041582 1Rh 4dx2y2 0.013806 -0.047593 0.002727 -0.015319 0.012008 0.061186 1Rh 4dxy 0.030438 0.034410 -0.000424 -0.009604 -0.001746 0.008888 1Rh 5dz2 0.086595 0.048569 0.001254 -0.039315 0.040247 -0.126492 1Rh 5dxz -0.088441 0.063832 0.001239 -0.018544 -0.033112 -0.050410 1Rh 5dyz 0.008544 0.037374 0.006937 -0.025739 -0.002949 0.075290 1Rh 5dx2y2 -0.038216 0.097390 -0.006940 0.026796 -0.043412 -0.117907 1Rh 5dxy -0.073940 -0.067973 0.001394 0.064429 0.004972 -0.022364 1Rh 1f0 -0.000472 -0.026878 -0.000408 0.008113 0.005011 -0.000264 1Rh 1f+1 -0.005957 -0.003856 0.000275 0.003954 -0.008260 0.000118 1Rh 1f-1 -0.052508 -0.012907 0.000028 0.015803 -0.011353 -0.000540 1Rh 1f+2 0.028869 -0.029587 -0.000015 0.002852 0.020378 -0.000419 1Rh 1f-2 -0.015278 -0.021797 0.000093 0.014677 0.006034 -0.000592 1Rh 1f+3 -0.011092 0.021846 0.000441 -0.006507 -0.012799 -0.000271 1Rh 1f-3 0.000880 -0.006734 0.000151 0.011272 0.001950 -0.000645 2C 1s 0.000308 0.000517 -0.000134 -0.000398 0.000683 -0.000048 2C 2s -0.000061 0.000338 -0.000125 -0.000427 0.000756 -0.000068 2C 3s 0.025811 0.017579 -0.003382 -0.010152 0.009501 0.001216 2C 4s -0.128566 -0.100068 0.029072 0.049074 -0.059755 0.003728 2C 5s 0.124733 -0.015479 0.024344 0.149981 -0.132131 0.061838 2C 1pz 0.001370 0.006026 -0.002948 0.002996 0.000772 -0.004381 2C 1px -0.007346 0.001148 0.000999 -0.007226 0.005366 0.001404 2C 1py -0.001808 -0.007646 0.003573 -0.005665 -0.001696 0.005562 2C 2pz -0.095117 -0.081071 0.048238 -0.035575 -0.011854 0.040953 2C 2px 0.157103 0.015822 -0.032125 0.073289 -0.018257 -0.039450 2C 2py -0.002709 0.048340 -0.032939 0.051981 0.019299 -0.053070 2C 3pz 0.012213 -0.013206 0.041133 -0.003830 -0.032357 0.019785 2C 3px 0.013928 0.014087 -0.016150 0.049791 -0.029616 0.005672 2C 3py 0.008213 -0.008452 -0.044159 0.055085 0.004070 -0.001222 2C 1dz2 -0.042526 0.002111 -0.005237 0.022238 -0.016600 -0.006090 2C 1dxz 0.070565 0.004972 0.009604 -0.038324 0.027579 0.009148 2C 1dyz -0.011272 -0.007801 0.005938 -0.000229 -0.008326 0.003477 2C 1dx2y2 -0.000345 -0.000950 0.007387 -0.005447 -0.006958 0.006400 2C 1dxy 0.050706 0.010066 -0.012140 -0.012883 0.035037 -0.009943 2C 2dz2 -0.100663 -0.011602 0.000338 0.006367 -0.005909 -0.002280 2C 2dxz 0.171358 0.037720 -0.022254 -0.016707 0.061405 -0.016275 2C 2dyz -0.035130 0.011377 -0.029822 0.044142 0.010528 -0.037101 2C 2dx2y2 -0.015381 0.048340 -0.075460 0.089351 0.021127 -0.072635 2C 2dxy 0.129396 -0.064790 0.094388 -0.094795 -0.043683 0.092134 2C 1f0 -0.093309 0.005667 -0.015654 0.045048 -0.029451 -0.013355 2C 1f+1 0.071179 0.000885 0.007656 -0.029545 0.024515 0.004386 2C 1f-1 -0.033388 -0.010980 0.003907 0.007980 -0.013051 0.000092 2C 1f+2 0.048569 0.006148 0.002103 -0.018095 0.018474 0.002163 2C 1f-2 0.106831 0.006083 0.000578 -0.038734 0.041865 0.004894 2C 1f+3 0.051886 0.020500 -0.006417 -0.014446 0.023793 -0.000723 2C 1f-3 -0.028470 -0.007676 -0.001784 0.015000 -0.013961 -0.002165 3C 1s 0.000149 -0.000928 -0.000115 0.000599 0.000369 0.000051 3C 2s 0.000076 -0.000516 -0.000140 0.000712 0.000417 0.000055 3C 3s 0.009394 -0.027036 0.000395 0.003615 0.003244 -0.000174 3C 4s -0.062956 0.136157 0.005043 -0.026553 -0.017180 -0.005116 3C 5s 0.024560 -0.048796 0.005627 -0.093999 -0.056409 -0.048631 3C 1pz -0.000471 0.004089 0.001122 -0.004052 -0.000801 -0.002003 3C 1px -0.004313 0.008417 0.004133 0.001505 0.008960 -0.006888 3C 1py -0.003337 0.003674 0.002056 -0.000259 0.003416 -0.003953 3C 2pz -0.021543 0.028985 0.001440 0.027645 0.013734 0.004079 3C 2px 0.076459 -0.145706 -0.077112 0.026735 -0.094045 0.097341 3C 2py 0.079192 -0.059830 -0.030065 -0.004896 -0.044471 0.040089 3C 3pz 0.009682 0.032987 -0.017059 0.009695 -0.003010 -0.005872 3C 3px 0.029797 -0.001310 -0.054458 -0.011289 -0.069472 0.014797 3C 3py 0.010285 0.012235 -0.031898 0.027442 -0.015786 0.018435 3C 1dz2 -0.007876 0.021016 0.006952 -0.017649 -0.006998 -0.006643 3C 1dxz 0.011983 -0.030480 -0.010973 0.029064 0.012136 0.010164 3C 1dyz 0.004084 -0.035010 0.002271 0.016645 0.020247 -0.002308 3C 1dx2y2 0.005905 -0.028334 -0.000268 0.019500 0.019188 0.000349 3C 1dxy 0.002157 0.054192 -0.011515 -0.022869 -0.042536 0.010321 3C 2dz2 0.029466 0.042685 -0.039894 0.019158 -0.047940 0.040729 3C 2dxz -0.089091 -0.093074 0.118112 -0.039123 0.153987 -0.121117 3C 2dyz 0.016210 -0.079491 0.012273 0.008016 0.034241 -0.010742 3C 2dx2y2 -0.008032 -0.070165 0.025980 -0.020525 0.027397 -0.024581 3C 2dxy -0.037741 0.136915 0.035384 -0.055713 0.000145 -0.042504 3C 1f0 -0.008378 0.014127 0.006386 -0.007917 -0.000219 -0.003353 3C 1f+1 0.005826 0.028864 -0.006903 -0.012071 -0.019487 0.003121 3C 1f-1 0.012857 -0.034485 -0.005387 0.019725 0.014184 0.004091 3C 1f+2 0.010865 -0.081182 -0.000092 0.033004 0.034231 -0.000406 3C 1f-2 -0.008961 0.035918 0.001410 -0.020227 -0.022438 0.000518 3C 1f+3 -0.005292 -0.068211 0.012762 0.026428 0.046277 -0.007502 3C 1f-3 0.003636 -0.086708 0.011526 0.037877 0.056828 -0.009190 4C 1s -0.000839 -0.000000 -0.000292 0.001574 -0.000490 -0.000069 4C 2s -0.001506 0.000477 -0.000600 0.002893 -0.000772 0.000516 4C 3s -0.032766 -0.035456 0.003940 0.033284 -0.025775 -0.026520 4C 4s 0.206759 0.142107 0.005813 -0.265390 0.132155 0.099857 4C 5s -0.027211 0.029812 0.018559 -0.146506 0.096010 0.005014 4C 1pz 0.022413 0.002698 -0.000740 0.009624 -0.011194 -0.001773 4C 1px -0.051278 0.000605 -0.000070 -0.045417 0.044458 -0.001708 4C 1py -0.006207 -0.003547 0.000636 -0.011670 0.009650 -0.001780 4C 2pz -0.137804 0.076146 0.018882 -0.028937 -0.020636 0.028110 4C 2px 0.425659 0.117790 0.009553 -0.144966 0.146400 -0.012783 4C 2py 0.078055 -0.160800 0.012056 -0.060626 0.047283 0.006999 4C 3pz 0.054860 -0.028316 0.012938 0.107672 -0.096840 0.052098 4C 3px -0.025609 0.001072 0.006849 -0.212296 0.231556 -0.022074 4C 3py 0.026451 0.023443 0.039335 -0.035733 0.011775 0.038299 4C 1dz2 0.064751 0.067733 -0.046937 0.017253 0.058560 -0.039326 4C 1dxz -0.116385 -0.040813 0.062816 -0.002116 -0.094279 0.052736 4C 1dyz 0.010039 -0.053878 0.056252 -0.046469 -0.037562 0.049676 4C 1dx2y2 0.001471 -0.024191 0.070067 -0.065245 -0.048940 0.062615 4C 1dxy -0.093604 0.076092 -0.116920 0.117336 0.050630 -0.104543 4C 2dz2 -0.196783 0.130105 -0.144552 0.063346 0.130725 -0.110933 4C 2dxz 0.353166 -0.069870 0.180102 -0.061560 -0.201701 0.133019 4C 2dyz 0.037832 -0.102301 0.153830 -0.149938 -0.088171 0.128202 4C 2dx2y2 0.052203 -0.096536 0.217340 -0.188360 -0.126441 0.186389 4C 2dxy 0.250160 0.244633 -0.328586 0.279283 0.187420 -0.253312 4C 1f0 0.221029 0.097949 -0.113777 -0.035196 0.211118 -0.079889 4C 1f+1 -0.228221 -0.151652 0.111527 0.050200 -0.215314 0.068206 4C 1f-1 0.083785 -0.036985 0.074913 -0.102508 0.003753 0.053200 4C 1f+2 -0.133224 -0.020081 0.057030 0.018115 -0.110406 0.045021 4C 1f-2 -0.292055 0.090178 -0.084163 0.217653 -0.125387 -0.064762 4C 1f+3 -0.226640 0.005316 -0.142064 0.211040 -0.025232 -0.104200 4C 1f-3 -0.029915 0.090640 -0.040613 0.035366 0.016220 -0.030654 5C 1s -0.000416 0.000526 0.000164 0.000964 -0.000619 -0.000275 5C 2s -0.000530 0.000602 0.000359 0.001971 -0.001345 -0.000882 5C 3s -0.021427 0.039445 -0.006116 -0.001057 -0.013051 0.016482 5C 4s 0.128302 -0.194830 0.010749 -0.101858 0.102947 -0.036326 5C 5s 0.044916 0.000375 -0.025743 -0.002552 0.054592 -0.012086 5C 1pz 0.005028 -0.012513 -0.001972 -0.016435 -0.010808 0.003680 5C 1px -0.006423 0.047504 0.002590 0.044104 0.037003 -0.005469 5C 1py -0.004717 0.013052 0.002075 0.010663 0.004254 -0.003302 5C 2pz 0.001064 0.337932 -0.009010 -0.065206 -0.042324 0.012336 5C 2px 0.046811 -0.318710 0.010412 0.132756 0.160554 -0.042336 5C 2py 0.044224 0.108641 -0.011503 0.037622 -0.024549 0.001678 5C 3pz 0.022766 -0.049907 0.004734 -0.117265 -0.063059 -0.022444 5C 3px 0.006499 0.020725 0.013020 0.200276 0.212267 -0.037578 5C 3py -0.053103 -0.013157 0.024169 0.094513 0.040620 0.041814 5C 1dz2 -0.048593 0.007918 0.066885 -0.032854 0.069036 -0.064641 5C 1dxz 0.080819 0.072882 -0.110316 0.065340 -0.121323 0.103612 5C 1dyz -0.013057 0.025470 0.006633 -0.022889 -0.017954 -0.008823 5C 1dx2y2 0.003165 0.081459 -0.006276 -0.032899 -0.030483 0.003451 5C 1dxy 0.090840 -0.089466 -0.093235 0.110573 -0.025916 0.093448 5C 2dz2 -0.160900 0.188482 0.190595 -0.110361 0.151129 -0.159201 5C 2dxz 0.271146 -0.099068 -0.329137 0.194279 -0.299486 0.289970 5C 2dyz -0.028899 -0.151250 0.018559 -0.025955 -0.012939 -0.011483 5C 2dx2y2 0.030727 -0.133090 -0.011814 -0.027945 -0.023219 0.000446 5C 2dxy 0.147570 0.316743 -0.267871 0.251542 -0.178187 0.230623 5C 1f0 -0.087339 -0.116008 0.114293 -0.030250 0.131284 -0.087049 5C 1f+1 0.072571 -0.058705 -0.105481 0.068840 -0.090014 0.085579 5C 1f-1 0.035302 0.043216 -0.068156 -0.029730 -0.129336 0.051891 5C 1f+2 0.021222 0.309687 -0.055287 -0.123498 -0.205130 0.037695 5C 1f-2 -0.048174 -0.131992 0.079091 0.037268 0.150035 -0.059873 5C 1f+3 -0.147377 0.220566 0.137537 -0.249168 -0.052655 -0.107838 5C 1f-3 -0.064271 0.135453 0.036647 -0.182841 -0.129502 -0.032340 6C 1s -0.000435 0.000551 -0.000166 0.000964 -0.000578 0.000296 6C 2s -0.000554 0.000603 -0.000365 0.002007 -0.001269 0.000921 6C 3s -0.023147 0.041774 0.006316 -0.002764 -0.013300 -0.016014 6C 4s 0.137521 -0.206581 -0.011416 -0.095872 0.100858 0.032965 6C 5s 0.043389 0.001044 0.025258 0.000671 0.053176 0.010558 6C 1pz -0.004952 0.012976 -0.002012 0.016552 0.011162 0.003782 6C 1px 0.005841 -0.048750 0.002728 -0.044197 -0.037753 -0.005550 6C 1py 0.004755 -0.013359 0.002081 -0.010754 -0.004515 -0.003408 6C 2pz -0.000784 -0.334134 -0.009770 0.064779 0.044267 0.011847 6C 2px -0.050946 0.310416 0.010367 -0.133729 -0.164263 -0.039006 6C 2py -0.045318 -0.109056 -0.011749 -0.036693 0.023704 0.001621 6C 3pz -0.023629 0.053701 0.006120 0.116935 0.063104 -0.022347 6C 3px -0.008469 -0.022547 0.013998 -0.202150 -0.213718 -0.032696 6C 3py 0.055393 0.008729 0.022737 -0.093405 -0.040937 0.040244 6C 1dz2 -0.048745 0.008209 -0.066938 -0.033044 0.069901 0.063682 6C 1dxz 0.080786 0.072496 0.110311 0.065319 -0.122199 -0.101698 6C 1dyz -0.013421 0.025198 -0.006630 -0.022787 -0.017444 0.009287 6C 1dx2y2 0.003313 0.080332 0.006510 -0.032631 -0.030508 -0.002965 6C 1dxy 0.091302 -0.088424 0.092949 0.110269 -0.027930 -0.093558 6C 2dz2 -0.162311 0.188077 -0.190388 -0.111231 0.153397 0.157692 6C 2dxz 0.272542 -0.097752 0.328967 0.193473 -0.303012 -0.285991 6C 2dyz -0.029925 -0.147919 -0.018213 -0.026606 -0.012538 0.011831 6C 2dx2y2 0.031670 -0.131287 0.012395 -0.026805 -0.023589 -0.001002 6C 2dxy 0.145555 0.314572 0.267058 0.251438 -0.180617 -0.227209 6C 1f0 0.087320 0.114335 0.114415 0.030429 -0.132392 -0.085026 6C 1f+1 -0.072139 0.058546 -0.105188 -0.068727 0.090848 0.084019 6C 1f-1 -0.034304 -0.041144 -0.068125 0.029584 0.129528 0.049628 6C 1f+2 -0.019730 -0.304385 -0.055744 0.123218 0.204894 0.033940 6C 1f-2 0.047188 0.129573 0.079310 -0.037350 -0.150244 -0.057467 6C 1f+3 0.149819 -0.216178 0.137104 0.249200 0.050364 -0.109768 6C 1f-3 0.065933 -0.130206 0.036286 0.181954 0.128295 -0.034978 7C 1s -0.000862 0.000046 0.000287 0.001569 -0.000522 0.000079 7C 2s -0.001537 0.000544 0.000590 0.002897 -0.000863 -0.000484 7C 3s -0.033717 -0.034247 -0.003479 0.033076 -0.024186 0.026647 7C 4s 0.212078 0.134747 -0.007719 -0.264210 0.127691 -0.101600 7C 5s -0.028685 0.027037 -0.018845 -0.146444 0.098345 -0.006281 7C 1pz -0.022612 -0.003109 -0.000656 -0.009409 0.011180 -0.001727 7C 1px 0.051622 0.001028 -0.000099 0.044993 -0.044846 -0.001311 7C 1py 0.006207 0.003925 0.000703 0.011661 -0.009768 -0.001632 7C 2pz 0.135819 -0.076606 0.017474 0.029365 0.020338 0.026862 7C 2px -0.426462 -0.107394 0.010204 0.142948 -0.149703 -0.010347 7C 2py -0.075732 0.161905 0.011606 0.060056 -0.048772 0.007191 7C 3pz -0.056577 0.029135 0.013092 -0.108948 0.099700 0.048628 7C 3px 0.026425 0.002850 0.005408 0.211804 -0.233548 -0.019252 7C 3py -0.027003 -0.021767 0.039522 0.035515 -0.010559 0.037355 7C 1dz2 0.064801 0.067449 0.046825 0.017255 0.058775 0.038400 7C 1dxz -0.116037 -0.040275 -0.062492 -0.002092 -0.094651 -0.051139 7C 1dyz 0.009992 -0.053613 -0.056135 -0.046698 -0.038398 -0.048928 7C 1dx2y2 0.001969 -0.024578 -0.069863 -0.065353 -0.049682 -0.061684 7C 1dxy -0.093448 0.076333 0.116916 0.118096 0.052812 0.103437 7C 2dz2 -0.194860 0.130497 0.143619 0.063314 0.131557 0.107838 7C 2dxz 0.352686 -0.071668 -0.180349 -0.061900 -0.204005 -0.130187 7C 2dyz 0.037460 -0.102236 -0.154082 -0.150273 -0.091051 -0.126641 7C 2dx2y2 0.052069 -0.098097 -0.216009 -0.188105 -0.128762 -0.182678 7C 2dxy 0.252282 0.242803 0.327771 0.280232 0.192205 0.249460 7C 1f0 -0.219604 -0.094825 -0.113066 0.034689 -0.211285 -0.076522 7C 1f+1 0.227924 0.148332 0.111187 -0.049629 0.215615 0.065137 7C 1f-1 -0.083700 0.037786 0.074613 0.102785 -0.002993 0.052733 7C 1f+2 0.131917 0.018472 0.056303 -0.018112 0.110479 0.042902 7C 1f-2 0.290466 -0.093154 -0.084259 -0.218022 0.123660 -0.065750 7C 1f+3 0.227461 -0.008810 -0.142488 -0.212215 0.023173 -0.104387 7C 1f-3 0.029600 -0.090816 -0.041149 -0.035825 -0.017108 -0.030638 8C 1s 0.000161 -0.000916 0.000112 0.000616 0.000375 -0.000061 8C 2s 0.000083 -0.000501 0.000137 0.000732 0.000425 -0.000065 8C 3s 0.010093 -0.027483 -0.000430 0.003807 0.003330 -0.000015 8C 4s -0.067137 0.139014 -0.004704 -0.027717 -0.017460 0.006167 8C 5s 0.028724 -0.055448 -0.007034 -0.094757 -0.056621 0.047193 8C 1pz 0.000542 -0.004066 0.001190 0.004149 0.000711 -0.002157 8C 1px 0.004294 -0.008274 0.004079 -0.001574 -0.009034 -0.006674 8C 1py 0.003391 -0.003648 0.002074 0.000258 -0.003494 -0.003939 8C 2pz 0.021321 -0.030572 0.000315 -0.028546 -0.013259 0.005463 8C 2px -0.075030 0.143119 -0.075866 -0.025326 0.094637 0.094694 8C 2py -0.081399 0.062395 -0.029918 0.004834 0.045600 0.039954 8C 3pz -0.010385 -0.032302 -0.018005 -0.010448 0.003771 -0.005294 8C 3px -0.030068 0.001584 -0.053552 0.012027 0.069288 0.013586 8C 3py -0.009934 -0.013297 -0.032663 -0.027685 0.016234 0.017829 8C 1dz2 -0.008056 0.020482 -0.006965 -0.017577 -0.006739 0.006872 8C 1dxz 0.012269 -0.029584 0.010998 0.029007 0.011758 -0.010549 8C 1dyz 0.004419 -0.034607 -0.002300 0.016717 0.020204 0.001886 8C 1dx2y2 0.006224 -0.027848 0.000266 0.019501 0.018971 -0.000820 8C 1dxy 0.001831 0.053198 0.011549 -0.022842 -0.042515 -0.009497 8C 2dz2 0.028607 0.041359 0.038936 0.019095 -0.046938 -0.039067 8C 2dxz -0.088113 -0.090507 -0.117393 -0.038694 0.154625 0.118003 8C 2dyz 0.018024 -0.079370 -0.011945 0.008635 0.033900 0.009445 8C 2dx2y2 -0.007255 -0.069478 -0.025794 -0.021025 0.026658 0.023864 8C 2dxy -0.038864 0.134226 -0.035584 -0.056118 0.000980 0.043106 8C 1f0 0.008474 -0.014162 0.006348 0.008150 0.000431 -0.003378 8C 1f+1 -0.005511 -0.028248 -0.006867 0.012079 0.019404 0.002707 8C 1f-1 -0.013305 0.034004 -0.005455 -0.019826 -0.013937 0.004537 8C 1f+2 -0.011562 0.079793 -0.000093 -0.033061 -0.033943 0.000442 8C 1f-2 0.009172 -0.034844 0.001367 0.020025 0.022159 0.000092 8C 1f+3 0.004780 0.066430 0.012607 -0.026313 -0.045712 -0.006397 8C 1f-3 -0.004542 0.085128 0.011500 -0.037955 -0.056606 -0.007963 9C 1s 0.000318 0.000472 0.000123 -0.000415 0.000684 0.000033 9C 2s -0.000063 0.000296 0.000116 -0.000445 0.000762 0.000053 9C 3s 0.026457 0.017022 0.003083 -0.010294 0.009115 -0.001581 9C 4s -0.131691 -0.096611 -0.026779 0.050288 -0.057430 -0.001040 9C 5s 0.128696 -0.015583 -0.023706 0.152477 -0.137287 -0.057966 9C 1pz -0.001372 -0.006078 -0.002916 -0.002999 -0.000823 -0.004342 9C 1px 0.007332 -0.001311 0.000811 0.007018 -0.005513 0.001180 9C 1py 0.001826 0.007584 0.003623 0.005732 0.001811 0.005606 9C 2pz 0.095741 0.081263 0.046355 0.035227 0.010320 0.039415 9C 2px -0.157002 -0.012711 -0.028463 -0.069801 0.020311 -0.035352 9C 2py 0.003404 -0.047848 -0.033727 -0.051885 -0.021420 -0.053477 9C 3pz -0.012488 0.012955 0.040729 0.003486 0.033033 0.018579 9C 3px -0.014283 -0.012951 -0.012820 -0.047751 0.031996 0.005901 9C 3py -0.008784 0.008099 -0.044533 -0.055889 -0.003813 -0.001390 9C 1dz2 -0.042323 0.002501 0.005317 0.022228 -0.016301 0.006263 9C 1dxz 0.070499 0.004187 -0.009673 -0.038464 0.027349 -0.009436 9C 1dyz -0.011408 -0.007630 -0.005892 -0.000254 -0.008337 -0.003369 9C 1dx2y2 -0.000365 -0.000830 -0.007418 -0.005474 -0.007167 -0.006349 9C 1dxy 0.050418 0.009531 0.012089 -0.012750 0.035017 0.009506 9C 2dz2 -0.100335 -0.011427 -0.000169 0.006215 -0.005348 0.002285 9C 2dxz 0.171371 0.037184 0.023993 -0.016018 0.063524 0.017268 9C 2dyz -0.035365 0.011093 0.029383 0.043276 0.011442 0.036192 9C 2dx2y2 -0.015458 0.049285 0.074736 0.089036 0.021767 0.071374 9C 2dxy 0.128251 -0.064729 -0.092567 -0.092705 -0.045354 -0.089395 9C 1f0 0.092307 -0.006841 -0.015649 -0.044729 0.028681 -0.013477 9C 1f+1 -0.069984 -0.000197 0.007525 0.028971 -0.023917 0.004421 9C 1f-1 0.033829 0.010481 0.003695 -0.008238 0.012963 -0.000217 9C 1f+2 -0.048318 -0.005602 0.001946 0.017927 -0.018380 0.002158 9C 1f-2 -0.107037 -0.005351 0.000542 0.038951 -0.042022 0.005177 9C 1f+3 -0.052959 -0.019837 -0.006354 0.015041 -0.024280 -0.000349 9C 1f-3 0.028436 0.007109 -0.001786 -0.014874 0.013744 -0.002255 10H 1s 0.048064 0.001965 0.010824 -0.028766 0.014891 0.012078 10H 2s 0.043614 -0.015214 0.054834 -0.116592 0.042922 0.059357 10H 3s -0.004742 -0.007939 0.007860 -0.016212 0.007290 -0.014423 10H 1pz 0.012908 -0.005675 0.018567 -0.033134 0.006827 0.019000 10H 1px -0.031842 -0.002318 -0.008055 0.027240 -0.018446 -0.009494 10H 1py 0.002679 0.011829 -0.015367 0.004325 0.020616 -0.013618 11H 1s -0.002468 -0.018712 0.019372 -0.005716 -0.024012 0.016965 11H 2s -0.010246 -0.030120 0.020911 -0.029020 -0.000613 0.020284 11H 3s -0.017719 -0.001089 0.027118 -0.027773 -0.004020 -0.002479 11H 1pz 0.001523 -0.008838 0.003406 -0.006017 0.001176 0.004346 11H 1px -0.008700 0.003192 -0.010306 0.011658 0.005250 -0.010743 11H 1py 0.005660 0.012426 -0.013247 0.009312 0.009752 -0.010966 12H 1s -0.016579 0.026703 -0.028699 0.038166 0.003992 -0.025931 12H 2s -0.030828 0.087206 -0.086694 0.075380 0.056028 -0.095513 12H 3s -0.025308 -0.000859 -0.037664 0.005147 0.029391 0.007794 12H 1pz 0.013067 -0.006783 0.010136 -0.011008 -0.003055 0.008638 12H 1px -0.006389 0.005502 -0.004560 0.008497 -0.001782 -0.006527 12H 1py -0.014662 0.024395 -0.016536 0.019176 0.004612 -0.017943 13H 1s -0.009619 -0.044512 0.016834 0.010682 0.036949 -0.015916 13H 2s -0.066602 -0.057257 0.081574 0.014001 0.138691 -0.087987 13H 3s 0.000652 0.007330 0.012346 0.001190 0.012642 0.012171 13H 1pz 0.001514 -0.023256 0.000308 0.022563 0.020975 -0.001252 13H 1px 0.017266 0.028011 -0.021355 -0.001881 -0.034677 0.021769 13H 1py 0.014217 0.009261 -0.017620 -0.000379 -0.027879 0.019363 14H 1s 0.021438 0.005196 -0.027847 0.005144 -0.040388 0.027800 14H 2s 0.087892 -0.008327 -0.100023 0.063504 -0.102481 0.110490 14H 3s 0.006258 0.030665 -0.036012 0.018833 -0.011292 -0.008368 14H 1pz 0.007065 -0.004445 -0.008420 0.002048 -0.012236 0.009359 14H 1px 0.017402 0.001439 -0.020325 0.006173 -0.028064 0.022673 14H 1py 0.006022 0.010261 -0.007235 0.002790 -0.008550 0.006024 15H 1s -0.012992 0.002888 0.013336 -0.016524 0.004785 -0.012942 15H 2s -0.022177 0.001499 0.007320 0.005696 0.017562 -0.015023 15H 3s -0.005969 0.001652 0.021751 -0.005870 0.016978 0.002569 15H 1pz 0.006697 -0.003792 -0.001969 0.001905 0.000404 0.001737 15H 1px 0.013380 0.002666 -0.017756 0.011178 -0.018217 0.018339 15H 1py 0.003937 -0.001896 -0.001465 -0.001435 -0.004166 0.003506 16H 1s 0.009361 0.000149 0.008541 -0.117311 0.048261 -0.061834 16H 2s 0.001359 -0.011454 0.010711 -0.110793 0.024394 -0.124163 16H 3s 0.017282 -0.001664 -0.002356 0.000227 0.012671 0.003180 16H 1pz -0.004526 -0.005297 0.008995 -0.094724 0.026193 -0.078182 16H 1px -0.002020 0.000210 0.000338 0.010278 -0.000023 0.007312 16H 1py -0.000768 0.000419 0.003243 -0.055959 0.021035 -0.030255 17H 1s 0.013168 -0.003709 0.002979 -0.120719 0.014883 -0.076445 17H 2s 0.012938 -0.017614 0.007878 -0.120838 0.033917 -0.151572 17H 3s -0.006455 0.012517 -0.001159 0.001985 -0.016289 0.004145 17H 1pz -0.009321 0.012809 -0.000817 0.056666 -0.012779 0.058804 17H 1px -0.007823 0.008909 -0.003409 0.068418 -0.019852 0.064883 17H 1py 0.007648 -0.006115 0.003216 -0.074438 0.015146 -0.051561 18H 1s 0.014644 -0.003040 -0.002733 -0.118615 0.023362 0.076624 18H 2s 0.012703 -0.017985 -0.008095 -0.118511 0.042625 0.152596 18H 3s -0.006747 0.011518 0.001165 0.002248 -0.017358 -0.003613 18H 1pz 0.010205 -0.012637 -0.000965 -0.057592 0.017584 0.060545 18H 1px 0.008103 -0.009123 -0.003387 -0.067202 0.024967 0.065178 18H 1py -0.008121 0.005774 0.002855 0.071430 -0.020027 -0.050052 19H 1s 0.009507 -0.001313 -0.008080 -0.113597 0.056238 0.059005 19H 2s 0.001446 -0.009810 -0.010900 -0.106919 0.033017 0.118909 19H 3s 0.017502 -0.000690 0.002151 -0.000725 0.011620 -0.003340 19H 1pz 0.004291 0.005437 0.008685 0.090288 -0.032744 -0.074297 19H 1px 0.002194 0.000229 0.000231 -0.010882 0.001210 0.007525 19H 1py 0.000707 -0.000122 0.003084 0.055853 -0.025903 -0.030207 20H 1s -0.013446 0.002927 -0.013655 -0.017017 0.005064 0.013258 20H 2s -0.023128 0.002265 -0.007888 0.005415 0.018374 0.015479 20H 3s -0.006383 0.002448 -0.022369 -0.006184 0.017507 -0.002651 20H 1pz -0.007136 0.003988 -0.002219 -0.002140 -0.000181 0.002043 20H 1px -0.013198 -0.002556 -0.017616 -0.011089 0.018320 0.017909 20H 1py -0.003933 0.002077 -0.001472 0.001462 0.004208 0.003433 21H 1s 0.021360 0.004589 0.027821 0.005242 -0.040556 -0.027177 21H 2s 0.087160 -0.008352 0.098860 0.063445 -0.102132 -0.108015 21H 3s 0.006177 0.031331 0.036200 0.019206 -0.011155 0.008478 21H 1pz -0.007286 0.004639 -0.008600 -0.002374 0.012340 0.009397 21H 1px -0.016942 -0.001236 -0.019795 -0.005999 0.027612 0.021720 21H 1py -0.006104 -0.010074 -0.007426 -0.002880 0.008786 0.006052 22H 1s -0.008901 -0.043850 -0.016490 0.010993 0.036753 0.014866 22H 2s -0.064183 -0.055037 -0.079916 0.016159 0.139018 0.083874 22H 3s -0.000220 0.007572 -0.011928 0.001480 0.012138 -0.012045 22H 1pz -0.002306 0.022274 -0.000207 -0.022989 -0.020473 -0.000252 22H 1px -0.016702 -0.027537 -0.021074 0.002289 0.034848 0.020885 22H 1py -0.014168 -0.009133 -0.017679 0.000619 0.028408 0.018950 23H 1s -0.015770 0.026758 0.028552 0.037953 0.004611 0.025592 23H 2s -0.030050 0.085167 0.084055 0.072124 0.057054 0.091897 23H 3s -0.025408 -0.000780 0.037477 0.005111 0.029803 -0.007997 23H 1pz -0.012952 0.006927 0.010227 0.011141 0.003288 0.008641 23H 1px 0.006067 -0.004619 -0.003486 -0.007390 0.002244 -0.005434 23H 1py 0.014121 -0.024124 -0.016162 -0.018451 -0.005076 -0.017425 24H 1s -0.002693 -0.019100 -0.019864 -0.005928 -0.024980 -0.017074 24H 2s -0.010577 -0.032460 -0.022892 -0.030712 -0.002548 -0.022424 24H 3s -0.018502 -0.001425 -0.028101 -0.028589 -0.004103 0.002783 24H 1pz -0.001381 0.009209 0.003546 0.006060 -0.000879 0.004514 24H 1px 0.008765 -0.002474 -0.009545 -0.011123 -0.004819 -0.009840 24H 1py -0.005904 -0.012673 -0.013404 -0.009414 -0.010147 -0.010983 25H 1s 0.048244 0.001668 -0.010123 -0.028247 0.015113 -0.011513 25H 2s 0.043491 -0.015278 -0.050898 -0.114088 0.045415 -0.055702 25H 3s -0.005402 -0.007262 -0.006979 -0.016010 0.008377 0.013772 25H 1pz -0.013241 0.006091 0.018234 0.033175 -0.007069 0.018631 25H 1px 0.031761 0.002179 -0.006966 -0.026451 0.019089 -0.008596 25H 1py -0.002219 -0.011648 -0.015711 -0.004897 -0.020897 -0.013699 26O 1s 0.000250 0.000090 -0.000087 0.000557 -0.000295 -0.000100 26O 2s 0.000097 0.000197 -0.000388 0.001873 -0.000819 -0.000393 26O 3s 0.047732 0.003654 0.006580 -0.033570 0.019052 0.008617 26O 4s -0.439840 -0.030960 -0.027006 0.098499 -0.068459 -0.045201 26O 5s 0.045437 -0.057420 -0.015725 0.168893 -0.087070 0.021946 26O 1pz -0.031319 -0.014048 0.025674 0.002331 -0.044297 0.019756 26O 1px 0.010475 -0.007215 0.014621 -0.003952 -0.012046 0.014992 26O 1py -0.021962 0.015255 -0.044200 0.051939 0.014239 -0.035502 26O 2pz 0.151712 0.052225 -0.102833 -0.016138 0.190151 -0.084250 26O 2px 0.102933 0.041368 -0.053046 0.024713 0.034998 -0.047863 26O 2py 0.156320 -0.035368 0.182086 -0.217799 -0.064374 0.163729 26O 3pz 0.066542 0.067375 -0.093891 -0.105898 0.234443 -0.020870 26O 3px 0.145689 0.074128 -0.045871 -0.125183 0.166156 0.002407 26O 3py 0.107045 -0.086830 0.158433 -0.231012 0.104289 0.043796 26O 1dz2 -0.176054 -0.076092 -0.044662 0.173516 -0.026409 -0.146382 26O 1dxz -0.101107 0.014448 -0.189520 0.147977 0.164689 -0.201314 26O 1dyz -0.286950 0.043545 -0.048182 0.055203 -0.060451 0.024347 26O 1dx2y2 0.077151 0.030917 -0.231062 0.130261 0.264332 -0.261210 26O 1dxy -0.036970 -0.080110 0.231197 -0.240589 -0.082014 0.160100 26O 2dz2 0.127688 0.064068 0.049223 -0.144274 0.001327 0.133048 26O 2dxz -0.076046 -0.047648 0.226721 -0.074851 -0.299546 0.221083 26O 2dyz 0.158918 -0.052740 0.059064 -0.010085 -0.019728 -0.006111 26O 2dx2y2 0.021647 -0.041431 0.279591 -0.219034 -0.225602 0.288581 26O 2dxy -0.044816 0.080085 -0.288366 0.323814 0.087692 -0.212127 26O 1f0 -0.114989 -0.026703 0.082943 0.005073 -0.153591 0.078729 26O 1f+1 0.102526 0.001472 -0.004685 -0.041263 0.055475 0.003910 26O 1f-1 0.041285 0.014570 -0.058281 0.035649 0.050810 -0.044619 26O 1f+2 0.081306 0.029524 -0.073795 0.001176 0.099820 -0.046098 26O 1f-2 0.129365 0.038104 -0.043732 -0.067232 0.133785 -0.029836 26O 1f+3 0.164407 -0.030797 0.185039 -0.212995 -0.043035 0.147914 26O 1f-3 0.032223 0.029365 -0.079674 0.083308 0.041286 -0.063585 27O 1s 0.000114 -0.000307 -0.000121 0.000125 -0.000448 0.000212 27O 2s 0.000265 -0.000297 -0.000435 0.000597 -0.001379 0.000747 27O 3s 0.002480 -0.039554 0.006799 -0.000647 0.028158 -0.011617 27O 4s -0.030168 0.381363 -0.025334 -0.035966 -0.116794 0.035058 27O 5s -0.075250 -0.040377 0.002651 0.066722 -0.060476 0.053300 27O 1pz 0.037754 0.041505 -0.042107 0.011035 -0.051814 0.036311 27O 1px 0.007019 0.001287 -0.010264 0.009738 -0.013349 0.009769 27O 1py 0.031156 -0.009293 -0.028779 0.045495 0.000490 0.025108 27O 2pz -0.143880 -0.172558 0.170798 -0.042988 0.220660 -0.158396 27O 2px -0.006721 -0.148718 0.047097 -0.067693 0.052603 -0.054809 27O 2py -0.125798 0.070059 0.115102 -0.186586 -0.006638 -0.105952 27O 3pz -0.133275 -0.054420 0.149736 0.061375 0.181294 -0.047768 27O 3px 0.000695 -0.153113 0.031125 0.133173 0.188396 -0.041717 27O 3py -0.080121 0.050513 0.113008 -0.278343 -0.119510 -0.039861 27O 1dz2 0.069263 -0.048414 -0.025065 -0.061472 -0.007249 -0.095321 27O 1dxz -0.249031 -0.106255 0.289783 -0.223899 0.232865 -0.291421 27O 1dyz 0.055966 -0.149692 -0.072383 0.167556 0.000175 0.127215 27O 1dx2y2 -0.044414 -0.216087 0.107938 0.030179 0.250149 -0.168881 27O 1dxy -0.155634 -0.262999 0.199641 -0.144924 0.156364 -0.163354 27O 2dz2 -0.061336 0.023849 0.034592 0.043531 0.029666 0.064828 27O 2dxz 0.284333 0.249735 -0.355480 0.178713 -0.370813 0.339740 27O 2dyz -0.067249 0.095624 0.087851 -0.149805 0.030907 -0.129948 27O 2dx2y2 0.073310 0.168273 -0.132149 0.049455 -0.206492 0.181744 27O 2dxy 0.209056 0.125809 -0.241025 0.279248 -0.081692 0.199428 27O 1f0 0.081040 0.170349 -0.116504 0.010917 -0.166417 0.100315 27O 1f+1 0.033889 -0.023635 -0.037348 0.027804 -0.036196 0.037919 27O 1f-1 0.037293 -0.008058 -0.013552 0.032376 0.035188 -0.006217 27O 1f+2 -0.102786 -0.163138 0.131981 -0.021295 0.171375 -0.109365 27O 1f-2 0.053320 0.078372 -0.064439 0.000612 -0.091124 0.048077 27O 1f+3 0.091484 -0.081006 -0.085493 0.148808 0.020994 0.072026 27O 1f-3 0.102590 -0.047345 -0.108632 0.182095 0.017020 0.098551 28O 1s -0.000749 -0.000002 -0.000031 0.000386 -0.000179 -0.000077 28O 2s -0.001763 -0.000007 -0.000095 0.001452 -0.000751 -0.000335 28O 3s -0.022920 -0.001235 0.000491 -0.015274 0.005211 0.006989 28O 4s 0.392486 0.025771 0.003509 0.013787 0.004738 -0.022319 28O 5s -0.221832 -0.038786 -0.022334 0.099652 -0.023801 -0.066937 28O 1pz 0.017099 0.033261 -0.026998 0.005270 0.037080 -0.020792 28O 1px 0.029521 0.022000 -0.016107 -0.005606 0.027344 -0.012959 28O 1py 0.027472 -0.046501 0.043069 -0.050386 -0.010887 0.035206 28O 2pz -0.160491 -0.134791 0.109171 -0.049031 -0.132297 0.101899 28O 2px -0.017479 -0.090941 0.067472 0.056466 -0.147308 0.044553 28O 2py -0.124939 0.188473 -0.175691 0.205165 0.049668 -0.151984 28O 3pz -0.177999 -0.110137 0.108637 0.172981 -0.310972 0.055101 28O 3px 0.065833 -0.042923 0.057234 -0.022046 -0.010602 -0.007526 28O 3py -0.107786 0.080628 -0.158792 0.224227 -0.072574 -0.042332 28O 1dz2 0.192468 -0.222056 0.223722 -0.218683 -0.167617 0.281429 28O 1dxz 0.062253 0.096609 -0.073605 -0.077996 0.146901 0.006964 28O 1dyz 0.301243 0.230364 -0.178590 0.081132 0.211087 -0.184391 28O 1dx2y2 -0.088033 0.057152 -0.061700 0.060634 -0.047301 0.031547 28O 1dxy 0.091656 -0.262307 0.252406 -0.242591 -0.113846 0.195623 28O 2dz2 -0.024667 0.288591 -0.268488 0.157970 0.289464 -0.297995 28O 2dxz -0.070512 -0.106201 0.090573 0.043259 -0.152541 0.022954 28O 2dyz -0.160002 -0.255199 0.218237 -0.168467 -0.165122 0.208459 28O 2dx2y2 -0.033546 -0.084959 0.077837 0.001419 -0.056393 -0.010704 28O 2dxy -0.169561 0.308174 -0.310013 0.329113 0.103969 -0.241743 28O 1f0 -0.117458 -0.104385 0.061257 0.026892 -0.105213 0.032639 28O 1f+1 0.108221 0.155984 -0.136164 0.019328 0.193511 -0.109885 28O 1f-1 -0.081968 0.024902 -0.033720 0.082175 -0.038956 -0.031523 28O 1f+2 0.136881 -0.007260 0.004689 -0.047206 0.057665 -0.005426 28O 1f-2 0.097429 -0.150394 0.144029 -0.172116 -0.015624 0.109138 28O 1f+3 0.133174 0.027936 -0.012263 -0.057379 0.075420 -0.004999 28O 1f-3 0.076115 -0.123495 0.128201 -0.129524 -0.051951 0.104282 29O 1s 0.000037 0.000181 -0.000228 0.003231 -0.000901 0.001941 29O 2s -0.000084 0.000627 -0.000747 0.011260 -0.003108 0.007063 29O 3s 0.003167 -0.010770 0.010675 -0.167521 0.045926 -0.113765 29O 4s -0.002117 0.029214 -0.024434 0.384514 -0.106572 0.268441 29O 5s -0.032367 0.001562 0.001053 0.011181 0.005292 0.083933 29O 1pz 0.002444 -0.001710 -0.001343 0.009701 -0.006039 0.004450 29O 1px 0.004236 -0.002089 0.000440 -0.022212 0.005062 -0.015937 29O 1py -0.001441 0.003102 -0.001605 0.027297 -0.006960 0.019816 29O 2pz -0.016918 0.008117 0.008159 -0.048225 0.024892 -0.024688 29O 2px -0.016535 0.014152 -0.003739 0.109656 -0.025766 0.090280 29O 2py 0.008065 -0.016989 0.009004 -0.154072 0.039844 -0.121657 29O 3pz 0.011328 -0.006918 -0.001636 -0.008313 -0.005072 -0.007098 29O 3px 0.006510 -0.005352 -0.002295 0.031255 -0.009738 0.027217 29O 3py 0.002643 -0.004867 0.000897 0.008832 0.000812 -0.046046 29O 1dz2 0.012050 0.014635 0.004784 -0.079986 0.037611 -0.021132 29O 1dxz 0.020598 0.006148 -0.000020 -0.065570 -0.001577 -0.033409 29O 1dyz 0.013187 -0.011652 0.000475 -0.006790 0.011982 -0.004383 29O 1dx2y2 -0.007891 0.003156 0.000587 0.021235 -0.013630 0.036703 29O 1dxy -0.000058 0.003578 -0.001237 0.054616 -0.005311 0.031980 29O 2dz2 -0.009272 -0.010757 -0.008610 0.123578 -0.050732 0.056343 29O 2dxz -0.022528 -0.000120 -0.000931 0.096407 -0.005820 0.062844 29O 2dyz -0.005255 0.006644 -0.003073 0.011050 -0.015945 0.003117 29O 2dx2y2 0.005637 -0.002574 0.000379 -0.023934 0.014188 -0.036964 29O 2dxy 0.005341 -0.008800 0.002851 -0.093391 0.014969 -0.068386 29O 1f0 0.004959 -0.002466 0.003644 -0.077891 0.021663 -0.049873 29O 1f+1 -0.003050 0.001925 -0.002641 0.030971 -0.009012 0.020374 29O 1f-1 0.007064 0.000449 0.006844 -0.091589 0.030715 -0.054136 29O 1f+2 0.001666 0.001782 -0.002590 0.026498 -0.007529 0.018265 29O 1f-2 0.008986 -0.004289 0.000809 -0.063110 0.007468 -0.045361 29O 1f+3 -0.000384 0.002400 -0.001185 0.017364 -0.002074 0.015117 29O 1f-3 -0.004596 -0.000791 -0.000422 0.025400 -0.001761 0.016282 30O 1s -0.000078 0.000465 -0.000038 0.000303 -0.000265 -0.000113 30O 2s -0.000332 0.001011 0.000039 0.000821 -0.000819 -0.000494 30O 3s 0.000590 0.023587 -0.001595 -0.016006 0.000903 0.005981 30O 4s 0.043643 -0.335397 0.003085 0.043104 0.044195 -0.001750 30O 5s -0.098444 0.188370 0.025147 0.115591 -0.042096 -0.038249 30O 1pz -0.036179 0.013037 0.041997 -0.017256 0.042562 -0.038643 30O 1px -0.000043 -0.023559 0.006421 0.005935 0.027772 -0.002807 30O 1py -0.026337 0.030706 0.027354 -0.045382 0.003290 -0.024073 30O 2pz 0.131648 -0.005908 -0.170282 0.085794 -0.168126 0.166164 30O 2px 0.005232 0.015361 -0.025324 -0.049053 -0.128320 0.016845 30O 2py 0.104484 -0.190246 -0.110947 0.179264 -0.022863 0.108254 30O 3pz 0.096031 0.083728 -0.157658 -0.096988 -0.227484 0.041853 30O 3px -0.001646 -0.025936 -0.019539 0.044519 -0.036524 -0.001731 30O 3py 0.117859 -0.146641 -0.114508 0.291841 0.161778 0.038967 30O 1dz2 0.137418 -0.124735 -0.253091 0.230154 -0.257386 0.329071 30O 1dxz -0.151767 0.010705 0.183495 -0.011474 0.194035 -0.097983 30O 1dyz -0.055494 0.286353 0.049733 -0.063880 0.024015 -0.113316 30O 1dx2y2 0.007351 0.084898 -0.072373 0.042196 -0.129177 0.145402 30O 1dxy -0.166868 0.228301 0.170529 -0.241201 0.006215 -0.126991 30O 2dz2 -0.175409 0.110179 0.307975 -0.226571 0.329756 -0.359299 30O 2dxz 0.184091 -0.064378 -0.227399 0.078084 -0.198758 0.149552 30O 2dyz 0.051723 -0.174131 -0.062651 -0.004892 -0.098467 0.114540 30O 2dx2y2 -0.047688 0.086749 0.085892 -0.171251 0.006176 -0.146577 30O 2dxy 0.184748 -0.239879 -0.207896 0.272867 -0.045088 0.162253 30O 1f0 0.008998 0.005830 -0.022626 0.027119 -0.018698 0.014959 30O 1f+1 -0.110999 0.035884 0.166465 -0.091115 0.166732 -0.149683 30O 1f-1 -0.082693 0.027791 0.098350 -0.019170 0.106950 -0.069488 30O 1f+2 0.080767 -0.187845 -0.067437 0.163857 0.069877 0.058351 30O 1f-2 0.019198 -0.028808 -0.031570 -0.018166 -0.054734 0.036587 30O 1f+3 0.074355 -0.163198 -0.086334 0.166874 0.023848 0.081541 30O 1f-3 -0.023360 -0.081983 0.055566 0.023983 0.121792 -0.049725 31O 1s -0.000067 0.000463 0.000037 0.000302 -0.000241 0.000115 31O 2s -0.000300 0.001008 -0.000039 0.000817 -0.000733 0.000500 31O 3s 0.000139 0.023070 0.001565 -0.015786 -0.000171 -0.005756 31O 4s 0.046291 -0.331376 -0.002919 0.041645 0.045450 -0.001011 31O 5s -0.102654 0.194867 -0.023946 0.115526 -0.037038 0.043356 31O 1pz 0.036070 -0.013543 0.041921 0.017254 -0.043185 -0.038166 31O 1px -0.000155 0.023572 0.006489 -0.005727 -0.027358 -0.002125 31O 1py 0.026566 -0.029882 0.027242 0.045382 -0.003462 -0.023965 31O 2pz -0.131205 0.009158 -0.169828 -0.086295 0.170746 0.164023 31O 2px -0.004286 -0.015935 -0.025784 0.048824 0.126637 0.014246 31O 2py -0.105418 0.185123 -0.110618 -0.178641 0.023744 0.107854 31O 3pz -0.093637 -0.078948 -0.157933 0.096583 0.228935 0.037496 31O 3px 0.002155 0.022635 -0.019943 -0.043237 0.035086 -0.002651 31O 3py -0.121687 0.139143 -0.113374 -0.290876 -0.162489 0.042929 31O 1dz2 0.136957 -0.123450 0.252684 0.229883 -0.261560 -0.325175 31O 1dxz -0.150481 0.012826 -0.183201 -0.011195 0.195300 0.095290 31O 1dyz -0.056862 0.283905 -0.049812 -0.063790 0.027184 0.114297 31O 1dx2y2 0.006188 0.081560 0.072009 0.042184 -0.130085 -0.142963 31O 1dxy -0.168662 0.224572 -0.169809 -0.241726 0.007632 0.126909 31O 2dz2 -0.174541 0.109863 -0.307536 -0.226433 0.333928 0.354160 31O 2dxz 0.183301 -0.066248 0.226871 0.077939 -0.201128 -0.146935 31O 2dyz 0.052214 -0.174074 0.062782 -0.004774 -0.101492 -0.113978 31O 2dx2y2 -0.048053 0.086499 -0.085135 -0.171007 0.007817 0.146551 31O 2dxy 0.186429 -0.235374 0.207171 0.273160 -0.046529 -0.161608 31O 1f0 -0.008958 -0.005799 -0.022652 -0.027380 0.018546 0.014614 31O 1f+1 0.110520 -0.036667 0.166271 0.091151 -0.168597 -0.147222 31O 1f-1 0.082228 -0.028585 0.098196 0.019241 -0.107697 -0.067793 31O 1f+2 -0.082103 0.184758 -0.066946 -0.163685 -0.068542 0.060048 31O 1f-2 -0.018727 0.030152 -0.031576 0.018219 0.055708 0.035965 31O 1f+3 -0.075686 0.159723 -0.085826 -0.166580 -0.022677 0.082232 31O 1f-3 0.022698 0.080399 0.055742 -0.023674 -0.121686 -0.047508 32O 1s 0.000003 0.000188 0.000213 0.003147 -0.001147 -0.001905 32O 2s -0.000190 0.000652 0.000700 0.010968 -0.003953 -0.006934 32O 3s 0.004589 -0.011086 -0.010047 -0.163165 0.058466 0.111743 32O 4s -0.005697 0.030050 0.022849 0.374349 -0.136040 -0.263808 32O 5s -0.029481 0.000308 0.000384 0.011377 0.006653 -0.082506 32O 1pz -0.002694 0.001317 -0.001231 -0.008342 0.006504 0.003223 32O 1px -0.004462 0.002054 0.000424 0.022029 -0.006828 -0.016028 32O 1py 0.001552 -0.003063 -0.001584 -0.026661 0.009039 0.019464 32O 2pz 0.017952 -0.007254 0.007581 0.040973 -0.027203 -0.016922 32O 2px 0.017490 -0.014019 -0.003709 -0.108874 0.034514 0.091222 32O 2py -0.008575 0.016756 0.008865 0.150426 -0.051537 -0.119670 32O 3pz -0.012215 0.005003 -0.001504 0.008485 0.004031 -0.004951 32O 3px -0.005955 0.004457 -0.002051 -0.030325 0.011939 0.027828 32O 3py -0.002250 0.004813 0.001337 -0.009050 -0.000902 -0.045400 32O 1dz2 0.011500 0.014122 -0.004453 -0.077845 0.042131 0.019382 32O 1dxz 0.021343 0.006438 0.000085 -0.065098 0.002697 0.034376 32O 1dyz 0.013754 -0.011712 -0.000740 -0.009369 0.013496 0.004033 32O 1dx2y2 -0.007949 0.003927 -0.000440 0.020000 -0.015667 -0.035463 32O 1dxy -0.000510 0.003728 0.001273 0.052710 -0.008674 -0.031832 32O 2dz2 -0.009202 -0.009924 0.008003 0.119929 -0.058521 -0.053425 32O 2dxz -0.023772 -0.000405 0.000803 0.095946 -0.012568 -0.064682 32O 2dyz -0.005511 0.006918 0.003362 0.014536 -0.018503 -0.002424 32O 2dx2y2 0.005456 -0.003176 -0.000555 -0.022184 0.016400 0.035054 32O 2dxy 0.005927 -0.008773 -0.002829 -0.090042 0.021144 0.067646 32O 1f0 -0.005009 0.002499 0.002992 0.070494 -0.024969 -0.045497 32O 1f+1 0.003652 -0.002381 -0.002580 -0.034077 0.012246 0.022885 32O 1f-1 -0.007646 0.000298 0.006652 0.092150 -0.038130 -0.054252 32O 1f+2 -0.000965 -0.001877 -0.002708 -0.030259 0.010934 0.020542 32O 1f-2 -0.009689 0.003860 0.000613 0.060441 -0.011172 -0.044957 32O 1f+3 0.000222 -0.002166 -0.001229 -0.014969 0.002940 0.013705 32O 1f-3 0.004936 0.001105 -0.000300 -0.024287 0.003259 0.016183 33O 1s -0.000750 -0.000002 0.000031 0.000388 -0.000170 0.000085 33O 2s -0.001764 0.000001 0.000100 0.001466 -0.000712 0.000362 33O 3s -0.022832 -0.001294 -0.000549 -0.015465 0.004586 -0.007170 33O 4s 0.392052 0.025099 -0.003731 0.013722 0.005954 0.021906 33O 5s -0.223724 -0.040997 0.023166 0.102814 -0.018375 0.066779 33O 1pz -0.017076 -0.032633 -0.026952 -0.005506 -0.037405 -0.020251 33O 1px -0.029755 -0.021986 -0.015942 0.005820 -0.027350 -0.012322 33O 1py -0.027077 0.046740 0.043027 0.050438 0.011731 0.034880 33O 2pz 0.159840 0.132055 0.109006 0.050066 0.134177 0.099668 33O 2px 0.018376 0.090186 0.066701 -0.057365 0.146570 0.041761 33O 2py 0.123372 -0.189766 -0.175601 -0.205414 -0.053112 -0.150543 33O 3pz 0.177283 0.103738 0.107251 -0.174060 0.311048 0.049473 33O 3px -0.065113 0.043553 0.057095 0.021828 0.009379 -0.007243 33O 3py 0.106469 -0.082958 -0.159250 -0.226183 0.072033 -0.043572 33O 1dz2 0.190049 -0.222933 -0.223777 -0.219901 -0.172878 -0.278211 33O 1dxz 0.062094 0.093478 0.073698 -0.076939 0.147040 -0.008206 33O 1dyz 0.302551 0.226345 0.176999 0.080585 0.213032 0.179733 33O 1dx2y2 -0.086721 0.058400 0.061375 0.060214 -0.047402 -0.031461 33O 1dxy 0.089209 -0.262515 -0.252489 -0.243290 -0.117309 -0.193165 33O 2dz2 -0.022792 0.287157 0.268072 0.159245 0.294315 0.292830 33O 2dxz -0.070271 -0.103339 -0.090926 0.041923 -0.153734 -0.021587 33O 2dyz -0.161577 -0.252429 -0.216866 -0.168155 -0.167667 -0.204287 33O 2dx2y2 -0.034682 -0.084355 -0.076967 0.002197 -0.055893 0.012273 33O 2dxy -0.166775 0.309400 0.310215 0.330116 0.108458 0.239208 33O 1f0 0.117331 0.102489 0.060618 -0.026904 0.104790 0.030721 33O 1f+1 -0.108500 -0.153570 -0.136027 -0.020003 -0.195174 -0.107041 33O 1f-1 0.081568 -0.025525 -0.033663 -0.082209 0.038375 -0.031758 33O 1f+2 -0.136679 0.008555 0.005613 0.048013 -0.056784 -0.003944 33O 1f-2 -0.096097 0.151222 0.143784 0.172517 0.017657 0.108150 33O 1f+3 -0.133335 -0.026097 -0.011590 0.058045 -0.074987 -0.003577 33O 1f-3 -0.075095 0.124288 0.128364 0.130063 0.053918 0.103180 34O 1s 0.000110 -0.000312 0.000118 0.000111 -0.000451 -0.000202 34O 2s 0.000245 -0.000303 0.000421 0.000548 -0.001392 -0.000713 34O 3s 0.003044 -0.039364 -0.006611 0.000153 0.028299 0.010806 34O 4s -0.032638 0.378302 0.024625 -0.038544 -0.115992 -0.031025 34O 5s -0.080409 -0.037878 -0.001112 0.064442 -0.066809 -0.052667 34O 1pz -0.037817 -0.040974 -0.042133 -0.011039 0.052236 0.035537 34O 1px -0.006643 -0.000997 -0.010278 -0.009681 0.013761 0.009756 34O 1py -0.031441 0.008623 -0.028690 -0.045349 -0.000061 0.025197 34O 2pz 0.143873 0.169888 0.170999 0.043061 -0.222463 -0.155150 34O 2px 0.004067 0.147751 0.047040 0.066449 -0.054224 -0.053932 34O 2py 0.127674 -0.066733 0.114748 0.186242 0.004791 -0.106563 34O 3pz 0.133791 0.050197 0.149613 -0.061202 -0.180835 -0.044987 34O 3px -0.003844 0.148437 0.031583 -0.134660 -0.188695 -0.037786 34O 3py 0.081382 -0.044674 0.112750 0.279526 0.118231 -0.042567 34O 1dz2 0.069360 -0.049352 0.025352 -0.060898 -0.006442 0.094773 34O 1dxz -0.251154 -0.107041 -0.289806 -0.223446 0.237366 0.288763 34O 1dyz 0.057207 -0.145130 0.072733 0.167450 -0.002066 -0.128015 34O 1dx2y2 -0.042865 -0.210937 -0.108392 0.029989 0.252639 0.165596 34O 1dxy -0.155152 -0.261009 -0.199284 -0.144657 0.157352 0.160322 34O 2dz2 -0.061027 0.024616 -0.034884 0.043301 0.029426 -0.064722 34O 2dxz 0.285758 0.247738 0.355697 0.178424 -0.375498 -0.334704 34O 2dyz -0.068416 0.091888 -0.088221 -0.149749 0.033149 0.130197 34O 2dx2y2 0.071919 0.165088 0.132432 0.049156 -0.209442 -0.179209 34O 2dxy 0.210123 0.126995 0.240465 0.278945 -0.083625 -0.198210 34O 1f0 -0.080837 -0.167954 -0.116654 -0.010978 0.167526 0.097665 34O 1f+1 -0.033920 0.023598 -0.037521 -0.027768 0.037197 0.037770 34O 1f-1 -0.037720 0.007131 -0.013395 -0.032305 -0.035131 -0.005578 34O 1f+2 0.102494 0.160604 0.132124 0.021260 -0.172380 -0.106708 34O 1f-2 -0.053475 -0.077468 -0.064684 -0.000806 0.091670 0.046698 34O 1f+3 -0.092336 0.078661 -0.085343 -0.148533 -0.019314 0.073176 34O 1f-3 -0.104114 0.044116 -0.108330 -0.181812 -0.015363 0.099268 35O 1s 0.000245 0.000107 0.000079 0.000542 -0.000317 0.000103 35O 2s 0.000072 0.000250 0.000360 0.001821 -0.000899 0.000397 35O 3s 0.048202 0.002634 -0.006233 -0.032886 0.020029 -0.008737 35O 4s -0.441036 -0.027317 0.025810 0.096900 -0.070238 0.045351 35O 5s 0.044164 -0.048445 0.016602 0.167041 -0.090449 -0.021640 35O 1pz 0.031037 0.013562 0.025576 -0.002189 0.044456 0.019131 35O 1px -0.010483 0.006585 0.014642 0.004201 0.012749 0.014841 35O 1py 0.021993 -0.015950 -0.044068 -0.051974 -0.014645 -0.035076 35O 2pz -0.150409 -0.049190 -0.102373 0.015476 -0.190697 -0.081602 35O 2px -0.103592 -0.037798 -0.053307 -0.026098 -0.037800 -0.047697 35O 2py -0.156947 0.039206 0.181514 0.217898 0.066228 0.161720 35O 3pz -0.064733 -0.064680 -0.094067 0.106536 -0.235219 -0.017227 35O 3px -0.145589 -0.068636 -0.045484 0.123798 -0.166480 0.004793 35O 3py -0.106566 0.091996 0.158085 0.230770 -0.102884 0.044885 35O 1dz2 -0.174520 -0.073654 0.044557 0.174164 -0.024528 0.146280 35O 1dxz -0.101773 0.015383 0.189299 0.148921 0.168805 0.198482 35O 1dyz -0.286690 0.045876 0.048730 0.056298 -0.059736 -0.023184 35O 1dx2y2 0.076224 0.029116 0.230232 0.131163 0.268304 0.256599 35O 1dxy -0.036200 -0.082995 -0.230418 -0.240330 -0.083916 -0.157603 35O 2dz2 0.126881 0.061647 -0.048923 -0.144658 0.000096 -0.132521 35O 2dxz -0.074420 -0.046129 -0.226066 -0.075970 -0.303289 -0.216266 35O 2dyz 0.158921 -0.053673 -0.059371 -0.011129 -0.020519 0.006122 35O 2dx2y2 0.022464 -0.040737 -0.279025 -0.220598 -0.230517 -0.284405 35O 2dxy -0.046012 0.084362 0.287421 0.323588 0.090090 0.209232 35O 1f0 0.114131 0.024772 0.082587 -0.004662 0.154567 0.076377 35O 1f+1 -0.101952 -0.000828 -0.004240 0.041547 -0.054482 0.004816 35O 1f-1 -0.040821 -0.014913 -0.057858 -0.035553 -0.051190 -0.043509 35O 1f+2 -0.080272 -0.028168 -0.073471 -0.001607 -0.100243 -0.044589 35O 1f-2 -0.128472 -0.035987 -0.043523 0.067032 -0.134086 -0.027984 35O 1f+3 -0.164906 0.033216 0.185012 0.214038 0.045818 0.146730 35O 1f-3 -0.031971 -0.030583 -0.079122 -0.082946 -0.041648 -0.062459 720 721 722 723 724 725 6.93560 6.93868 7.00620 7.01539 7.01884 7.02004 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s 0.000098 0.000094 -0.000741 0.000077 -0.000014 -0.000032 0Rh 2s -0.001072 -0.001559 0.001616 -0.000319 -0.000098 -0.000042 0Rh 3s -0.000029 -0.000335 -0.003581 0.000286 -0.000144 -0.000219 0Rh 4s 0.006974 0.010089 -0.013841 0.002357 0.000483 0.000157 0Rh 5s -0.022466 -0.035798 0.036877 -0.007127 -0.001551 -0.001932 0Rh 6s 0.038738 0.080837 -0.018192 0.009883 0.003139 0.010773 0Rh 7s -0.117612 -0.422620 -0.011219 -0.033030 -0.002230 -0.079357 0Rh 8s 0.197623 0.136798 0.446358 -0.003933 0.030347 0.038778 0Rh 1pz -0.002840 0.001040 0.010971 0.012247 0.002204 -0.012380 0Rh 1px 0.003715 0.015150 -0.030686 0.007501 -0.002080 0.002314 0Rh 1py 0.002375 0.015603 -0.006392 -0.010838 0.001015 -0.011634 0Rh 2pz 0.012080 -0.004440 -0.046563 -0.052439 -0.009389 0.053020 0Rh 2px -0.015699 -0.064469 0.130270 -0.032082 0.008844 -0.009826 0Rh 2py -0.010033 -0.066414 0.027184 0.046428 -0.004362 0.049867 0Rh 3pz -0.042781 0.016025 0.163597 0.193346 0.033508 -0.195706 0Rh 3px 0.052920 0.230504 -0.457945 0.117536 -0.031351 0.034722 0Rh 3py 0.034236 0.237591 -0.096551 -0.171624 0.016376 -0.184906 0Rh 4pz 0.061496 -0.023656 -0.235505 -0.303887 -0.048860 0.308059 0Rh 4px -0.065127 -0.345919 0.657236 -0.182541 0.045858 -0.051065 0Rh 4py -0.045941 -0.355611 0.141614 0.270898 -0.026304 0.293253 0Rh 5pz -0.038720 0.011719 0.150522 0.235500 0.028207 -0.239988 0Rh 5px 0.015162 0.248253 -0.407352 0.136793 -0.030852 0.035362 0Rh 5py 0.021520 0.247013 -0.093312 -0.212359 0.020892 -0.232411 0Rh 6pz 0.116438 0.082814 -0.197991 -0.689363 -0.061392 0.748455 0Rh 6px -0.022876 -0.082890 0.495955 -0.335617 0.029460 0.057915 0Rh 6py 0.065225 -0.022119 0.090465 0.676805 -0.091891 0.833456 0Rh 1dz2 0.001794 0.002351 -0.001923 0.003528 0.002368 -0.002158 0Rh 1dxz 0.000651 -0.000251 -0.001649 -0.003501 -0.000207 0.004844 0Rh 1dyz -0.000607 0.000372 -0.000633 -0.000564 0.008387 -0.001019 0Rh 1dx2y2 0.001536 0.000396 0.002225 -0.003270 0.001540 -0.000552 0Rh 1dxy 0.001745 -0.001763 0.000320 0.004383 0.002503 0.004487 0Rh 2dz2 0.000917 0.000122 0.002152 -0.001057 -0.003343 0.000536 0Rh 2dxz 0.001801 0.001825 0.002046 0.000800 0.000008 -0.000887 0Rh 2dyz 0.000668 0.000189 0.000962 -0.000306 -0.010074 -0.000095 0Rh 2dx2y2 -0.003714 -0.002732 -0.003063 0.000743 -0.001695 -0.000548 0Rh 2dxy -0.002306 -0.000290 -0.000747 -0.001234 -0.003637 -0.001401 0Rh 3dz2 -0.015670 -0.014743 0.000293 -0.015965 0.003295 0.010387 0Rh 3dxz -0.013382 -0.007948 -0.000857 0.017196 0.001222 -0.024886 0Rh 3dyz 0.000118 -0.003239 -0.001269 0.005022 0.002226 0.006778 0Rh 3dx2y2 0.010237 0.011712 0.002750 0.016006 -0.000390 0.006176 0Rh 3dxy 0.001572 0.012034 0.002050 -0.020290 0.004022 -0.020046 0Rh 4dz2 0.050371 0.042793 0.008382 0.043572 -0.025418 -0.029460 0Rh 4dxz 0.046884 0.028797 0.012105 -0.048136 -0.003414 0.069964 0Rh 4dyz 0.002824 0.010472 0.008346 -0.015211 -0.051948 -0.021749 0Rh 4dx2y2 -0.045608 -0.041912 -0.021870 -0.044205 -0.006633 -0.019576 0Rh 4dxy -0.013975 -0.035145 -0.009703 0.055765 -0.028577 0.053752 0Rh 5dz2 -0.139283 -0.091840 -0.045159 -0.076660 0.152354 0.060074 0Rh 5dxz -0.146573 -0.079436 -0.058460 0.079677 0.002790 -0.121793 0Rh 5dyz -0.021566 -0.030781 -0.038448 0.018426 0.370108 0.072726 0Rh 5dx2y2 0.183824 0.111072 0.084304 0.074044 0.055570 0.045323 0Rh 5dxy 0.072135 0.072835 0.027955 -0.092857 0.156925 -0.069387 0Rh 1f0 0.001119 0.008314 -0.003629 -0.007968 0.000411 -0.005720 0Rh 1f+1 -0.001014 -0.000338 0.001689 0.006030 -0.002869 -0.010062 0Rh 1f-1 -0.000964 0.009574 -0.001269 0.001674 0.003332 -0.020406 0Rh 1f+2 0.000028 -0.007534 0.003963 -0.018040 0.002040 0.011372 0Rh 1f-2 -0.001305 0.004581 0.000439 -0.013330 -0.000607 -0.012122 0Rh 1f+3 -0.000449 -0.006507 0.004412 0.014908 -0.000556 0.000192 0Rh 1f-3 -0.004025 -0.000548 0.001792 -0.008789 0.002998 -0.009503 1Rh 1s -0.000091 0.000098 0.000741 0.000041 0.000020 -0.000013 1Rh 2s 0.000957 -0.001615 -0.001616 -0.000191 0.000111 -0.000079 1Rh 3s 0.000005 -0.000342 0.003585 0.000139 0.000186 -0.000121 1Rh 4s -0.006233 0.010447 0.013845 0.001386 -0.000545 0.000492 1Rh 5s 0.019845 -0.036975 -0.036878 -0.004347 0.002046 -0.002828 1Rh 6s -0.032852 0.082969 0.018135 0.007064 -0.005510 0.011188 1Rh 7s 0.086768 -0.429651 0.011911 -0.028074 0.020635 -0.079352 1Rh 8s -0.187956 0.151278 -0.447053 0.006063 -0.038647 0.026471 1Rh 1pz -0.002357 -0.000536 0.010435 -0.012662 -0.001252 0.012646 1Rh 1px 0.002862 -0.015223 -0.030861 -0.006424 -0.001743 -0.003146 1Rh 1py 0.000918 -0.015849 -0.006215 0.010970 -0.001332 0.011572 1Rh 2pz 0.010026 0.002292 -0.044272 0.054203 0.005409 -0.054141 1Rh 2px -0.012073 0.064771 0.131023 0.027508 0.007419 0.013365 1Rh 2py -0.003831 0.067455 0.026424 -0.046985 0.005696 -0.049606 1Rh 3pz -0.035464 -0.008300 0.155178 -0.199577 -0.021046 0.199487 1Rh 3px 0.039949 -0.231332 -0.460738 -0.101422 -0.026464 -0.047267 1Rh 3py 0.012054 -0.241229 -0.093749 0.173488 -0.020906 0.184025 1Rh 4pz 0.050595 0.012019 -0.222329 0.312901 0.036821 -0.312865 1Rh 4px -0.045596 0.346049 0.661658 0.159361 0.038995 0.069363 1Rh 4py -0.012752 0.360770 0.137211 -0.273321 0.032795 -0.292073 1Rh 5pz -0.031155 -0.003083 0.140391 -0.241196 -0.038126 0.241130 1Rh 5px 0.000731 -0.245739 -0.410774 -0.122307 -0.026262 -0.047353 1Rh 5py -0.001446 -0.250155 -0.089919 0.213411 -0.025944 0.231812 1Rh 6pz 0.123443 -0.110064 -0.173375 0.696606 0.139449 -0.744341 1Rh 6px -0.010389 0.073848 0.504963 0.316417 0.051722 -0.043337 1Rh 6py 0.062715 0.024980 0.081971 -0.673099 0.075964 -0.835724 1Rh 1dz2 -0.001757 0.002556 0.002063 0.003556 -0.001577 -0.002603 1Rh 1dxz -0.000517 -0.000266 0.001448 -0.003486 -0.001047 0.004730 1Rh 1dyz 0.000530 0.000533 0.000648 -0.000257 -0.007868 -0.002859 1Rh 1dx2y2 -0.001451 0.000507 -0.002320 -0.003221 -0.001436 -0.000861 1Rh 1dxy -0.001979 -0.001554 -0.000229 0.004480 -0.003276 0.003848 1Rh 2dz2 -0.000839 0.000140 -0.002201 -0.001146 0.003039 0.001275 1Rh 2dxz -0.001746 0.001974 -0.001984 0.000809 0.000234 -0.000865 1Rh 2dyz -0.000598 0.000123 -0.000992 -0.000683 0.009753 0.002215 1Rh 2dx2y2 0.003489 -0.002999 0.003092 0.000659 0.001752 -0.000148 1Rh 2dxy 0.002342 -0.000498 0.000714 -0.001374 0.003789 -0.000538 1Rh 3dz2 0.015043 -0.016087 -0.000896 -0.015667 -0.006525 0.009178 1Rh 3dxz 0.012295 -0.008642 0.001762 0.017047 0.005163 -0.024304 1Rh 3dyz -0.000016 -0.003879 0.001331 0.005153 -0.003711 0.005753 1Rh 3dx2y2 -0.009581 0.012442 -0.002325 0.016161 -0.000524 0.005935 1Rh 3dxy -0.000357 0.011860 -0.002434 -0.020138 -0.000096 -0.020729 1Rh 4dz2 -0.048308 0.046908 -0.006763 0.042280 0.033952 -0.022352 1Rh 4dxz -0.043631 0.031437 -0.014565 -0.047568 -0.014489 0.068252 1Rh 4dyz -0.002942 0.012195 -0.008607 -0.017285 0.055278 -0.008178 1Rh 4dx2y2 0.042989 -0.045175 0.020716 -0.045150 0.009357 -0.016968 1Rh 4dxy 0.010622 -0.035430 0.010724 0.054623 0.017572 0.059785 1Rh 5dz2 0.133942 -0.102492 0.042507 -0.070569 -0.166177 0.022097 1Rh 5dxz 0.139598 -0.088306 0.062509 0.077988 0.027924 -0.117551 1Rh 5dyz 0.021539 -0.034274 0.038879 0.032628 -0.376159 -0.018055 1Rh 5dx2y2 -0.175784 0.124200 -0.082458 0.078037 -0.061242 0.029391 1Rh 5dxy -0.065704 0.076785 -0.029598 -0.086501 -0.140158 -0.105987 1Rh 1f0 0.000299 -0.008382 -0.003458 0.008042 -0.000660 0.005655 1Rh 1f+1 -0.000762 0.000329 0.001385 -0.005978 -0.005300 0.009071 1Rh 1f-1 -0.001461 -0.009425 -0.001562 -0.001782 -0.001570 0.020620 1Rh 1f+2 -0.000099 0.007568 0.004643 0.017787 0.005418 -0.010357 1Rh 1f-2 -0.001929 -0.004506 0.000706 0.013275 -0.002927 0.011671 1Rh 1f+3 0.000445 0.006503 0.003961 -0.014974 -0.001004 -0.000328 1Rh 1f-3 -0.004196 0.000915 0.001950 0.008528 0.001007 0.010069 2C 1s 0.000392 0.000052 -0.000687 -0.000093 -0.000342 0.000783 2C 2s 0.000208 -0.000024 -0.001115 -0.000307 -0.000234 0.001337 2C 3s 0.021815 -0.002007 0.004559 0.010543 0.009314 0.002186 2C 4s -0.104666 0.055697 -0.012921 -0.035525 -0.043478 -0.024680 2C 5s 0.250512 0.108006 0.232056 0.148964 0.127813 -0.371038 2C 1pz 0.001082 -0.002678 0.004954 0.001186 -0.001449 -0.005838 2C 1px -0.001771 -0.001895 -0.017912 -0.005164 0.010145 0.024758 2C 1py -0.002093 -0.001567 -0.003832 0.000636 0.003264 0.007116 2C 2pz -0.068806 0.062362 -0.135354 -0.045999 0.032936 0.163471 2C 2px 0.003914 0.049291 0.205626 0.076961 -0.156350 -0.336238 2C 2py -0.019846 0.053905 0.004922 -0.016231 -0.041561 -0.049677 2C 3pz 0.040407 0.029440 0.020134 -0.009109 0.025810 -0.050241 2C 3px 0.042407 -0.010873 0.069517 0.035578 -0.007931 -0.090493 2C 3py 0.035083 0.001545 0.031765 0.065997 0.008802 -0.044613 2C 1dz2 -0.008455 -0.008910 0.003545 -0.001639 0.009775 0.000816 2C 1dxz 0.005267 0.016702 -0.012915 -0.002911 -0.016966 0.003159 2C 1dyz -0.006941 0.000263 -0.000056 -0.003015 0.001504 -0.000872 2C 1dx2y2 0.001618 0.001035 0.004758 -0.001883 -0.000775 -0.005267 2C 1dxy 0.006073 0.008913 -0.009265 0.004789 -0.012742 0.003723 2C 2dz2 -0.031898 -0.000938 -0.063647 -0.027126 0.045359 0.097389 2C 2dxz 0.041487 0.036674 0.037623 0.025281 -0.072878 -0.085230 2C 2dyz -0.027912 0.017297 -0.007507 0.001152 -0.016009 -0.006105 2C 2dx2y2 -0.000578 -0.019043 0.060964 0.031814 -0.022492 -0.080326 2C 2dxy 0.009581 0.041693 0.035449 -0.000154 -0.057041 -0.075903 2C 1f0 -0.016256 -0.020252 0.005878 -0.001874 0.027701 0.008581 2C 1f+1 0.007360 0.014923 -0.001613 0.003796 -0.023701 -0.013227 2C 1f-1 -0.009360 -0.006442 -0.004273 -0.005725 0.009707 0.009997 2C 1f+2 0.012726 0.012026 0.001191 0.002769 -0.015351 -0.007858 2C 1f-2 0.014308 0.018412 -0.002084 0.004888 -0.033983 -0.017125 2C 1f+3 0.008846 0.013725 0.001897 0.005395 -0.020464 -0.012652 2C 1f-3 -0.005210 -0.002517 0.009456 0.003509 0.003726 -0.009986 3C 1s -0.000337 -0.000072 -0.000651 -0.000573 0.000240 -0.000121 3C 2s -0.000282 0.000002 -0.000928 -0.000935 -0.000043 -0.000268 3C 3s -0.017256 -0.008422 -0.000395 -0.004533 0.002858 0.000495 3C 4s 0.094217 0.071416 0.015002 0.019903 -0.024440 0.016289 3C 5s -0.051881 0.036572 0.223891 0.169118 0.077955 0.170137 3C 1pz 0.000727 -0.001699 0.003978 0.005464 0.003294 0.002395 3C 1px -0.003505 0.001233 -0.016461 -0.022487 -0.014953 -0.007509 3C 1py 0.001131 0.002506 -0.001969 -0.001900 -0.002040 0.000679 3C 2pz 0.011562 0.052964 -0.063434 -0.108863 -0.075259 -0.040376 3C 2px 0.051154 -0.027846 0.190514 0.306379 0.203929 0.112404 3C 2py -0.039058 -0.071458 0.061590 0.090752 0.073255 0.006365 3C 3pz -0.018585 -0.006343 0.004467 -0.012187 -0.005667 0.028571 3C 3px 0.026605 -0.018192 0.065075 0.069363 0.032389 0.085802 3C 3py 0.013946 -0.020555 -0.026141 -0.017844 -0.020409 -0.003601 3C 1dz2 -0.000553 0.004854 0.004909 0.001439 -0.004718 -0.001507 3C 1dxz 0.003971 -0.008017 -0.011444 -0.007277 0.005588 0.002431 3C 1dyz 0.000956 -0.003647 -0.007082 -0.000954 0.008620 -0.000814 3C 1dx2y2 -0.000047 -0.006197 -0.006626 -0.000139 0.010087 0.001800 3C 1dxy -0.008412 0.004259 0.011837 0.000168 -0.014281 0.003204 3C 2dz2 -0.019683 -0.008165 -0.009992 -0.034464 -0.030242 -0.005614 3C 2dxz 0.029774 0.026278 -0.029637 -0.012296 0.017883 -0.022382 3C 2dyz -0.002796 -0.024038 0.012797 0.033534 0.043783 0.004459 3C 2dx2y2 0.017489 -0.019224 0.050026 0.091734 0.071608 0.025789 3C 2dxy -0.032053 0.019429 -0.052233 -0.105553 -0.099256 -0.050748 3C 1f0 -0.002467 0.001353 -0.002019 -0.006369 -0.006927 -0.002940 3C 1f+1 0.000088 -0.001056 0.013541 0.012042 0.000681 0.005727 3C 1f-1 0.005186 -0.006648 -0.000698 0.009353 0.016154 0.003811 3C 1f+2 0.006433 -0.007742 -0.002921 0.014761 0.031442 0.008002 3C 1f-2 -0.009576 0.006965 0.006167 -0.003250 -0.014560 -0.002880 3C 1f+3 0.014134 -0.008474 -0.007191 0.010436 0.028225 0.003724 3C 1f-3 0.013077 -0.010257 -0.009601 0.012038 0.034886 0.003328 4C 1s 0.003376 0.003584 0.001147 0.000506 0.000648 0.000847 4C 2s 0.010066 0.007807 0.003094 0.002021 0.001258 0.001605 4C 3s -0.135666 0.022145 -0.009586 -0.026727 -0.000366 -0.013946 4C 4s 0.201486 -0.448248 -0.052830 0.039749 -0.058049 -0.047275 4C 5s -0.050709 -0.215045 -0.157245 -0.027563 -0.050933 0.148926 4C 1pz -0.004819 0.006715 0.071091 0.022910 -0.050318 -0.107462 4C 1px -0.046516 -0.070517 -0.241824 -0.078397 0.158213 0.331637 4C 1py -0.019720 -0.021395 -0.047892 -0.016472 0.029364 0.059226 4C 2pz 0.021086 -0.072459 0.326414 0.048106 -0.225870 -0.392407 4C 2px -0.267838 -0.089538 -1.288436 -0.322487 0.537671 1.288843 4C 2py -0.087321 -0.068646 -0.292557 -0.085207 0.067023 0.255102 4C 3pz 0.224860 -0.039318 0.236473 0.154393 0.027920 -0.384555 4C 3px -0.112733 -0.027220 -0.578768 -0.175206 0.161021 0.779556 4C 3py 0.085619 -0.034970 -0.058495 0.009324 0.083292 0.040642 4C 1dz2 0.032940 0.032817 0.060112 0.034072 -0.058312 -0.078211 4C 1dxz -0.028242 -0.013966 -0.093062 -0.053762 0.102571 0.139667 4C 1dyz -0.004363 0.010865 0.001999 -0.018317 -0.005690 -0.006577 4C 1dx2y2 -0.026482 -0.028218 -0.012560 -0.026138 0.003085 -0.000978 4C 1dxy -0.025020 -0.062313 -0.076925 0.006831 0.070495 0.108083 4C 2dz2 0.006467 -0.097499 -0.016357 0.017049 0.052137 0.155372 4C 2dxz -0.052249 0.067572 0.080412 -0.040206 -0.072246 -0.280658 4C 2dyz 0.015617 -0.060579 0.002901 -0.072480 0.013515 -0.008011 4C 2dx2y2 0.025073 0.039218 -0.027021 -0.065607 -0.007489 -0.015614 4C 2dxy 0.032472 -0.048571 0.041372 0.191699 -0.066484 -0.177656 4C 1f0 0.024357 0.032038 -0.099338 0.032415 -0.044653 0.095403 4C 1f+1 -0.052832 -0.014392 0.092734 -0.037759 0.050321 -0.089526 4C 1f-1 -0.002793 0.014290 -0.028323 -0.040790 -0.016213 0.020589 4C 1f+2 0.006040 -0.028037 0.074594 -0.010171 0.024993 -0.060920 4C 1f-2 -0.042402 -0.068773 0.108833 0.046112 0.053545 -0.099552 4C 1f+3 -0.010428 -0.065484 0.100288 0.072121 0.039762 -0.070233 4C 1f-3 -0.011264 -0.012789 0.029611 0.015369 0.007989 -0.009504 5C 1s -0.002952 0.004773 0.000436 0.000621 0.000619 0.001454 5C 2s -0.007539 0.010222 0.000989 0.001200 0.001730 0.003727 5C 3s 0.074590 0.017884 0.014006 0.025830 -0.004582 0.000774 5C 4s -0.022652 -0.525407 -0.088724 -0.147963 -0.065074 -0.174010 5C 5s 0.031759 -0.210171 -0.144344 -0.152819 -0.049132 -0.134536 5C 1pz 0.026368 -0.026196 0.067574 0.097785 0.069462 0.028366 5C 1px -0.055452 0.038188 -0.216237 -0.310689 -0.218345 -0.103346 5C 1py -0.022576 0.027326 -0.037546 -0.053789 -0.038545 -0.012801 5C 2pz 0.150509 -0.112755 0.370967 0.354855 0.227260 0.092414 5C 2px -0.316266 0.056005 -1.195635 -1.186469 -0.818910 -0.414373 5C 2py -0.143297 0.118522 -0.171399 -0.165542 -0.091986 -0.005531 5C 3pz 0.036053 -0.048842 0.200362 0.226972 0.125873 0.107990 5C 3px -0.194294 0.027141 -0.514171 -0.719918 -0.280688 -0.230269 5C 3py 0.017511 0.090525 -0.144648 -0.121610 -0.094870 -0.113104 5C 1dz2 0.011916 0.025079 0.032284 0.055786 0.048575 0.002676 5C 1dxz -0.046075 0.014947 -0.037688 -0.069588 -0.063337 0.016523 5C 1dyz -0.022520 0.025883 -0.037816 -0.058842 -0.052540 -0.017341 5C 1dx2y2 -0.009372 -0.024068 -0.054294 -0.083658 -0.076626 -0.034427 5C 1dxy 0.033512 -0.068216 0.079149 0.114389 0.116140 0.065876 5C 2dz2 0.035463 0.098117 0.002158 -0.039165 -0.027264 -0.098896 5C 2dxz -0.041941 -0.099637 0.044863 0.120852 0.060367 0.175009 5C 2dyz 0.010511 0.075715 0.022966 0.120487 0.051200 0.056043 5C 2dx2y2 -0.005796 -0.015182 0.011459 0.095308 0.059258 0.064632 5C 2dxy -0.007074 -0.019784 -0.032986 -0.268989 -0.140590 0.048920 5C 1f0 0.007438 0.030582 -0.052074 -0.017684 0.014385 -0.051380 5C 1f+1 -0.001300 -0.007696 0.024293 0.002709 -0.008320 0.048317 5C 1f-1 -0.017638 -0.000534 0.047530 0.034569 -0.017864 0.039139 5C 1f+2 -0.024882 0.015940 0.127461 0.087041 -0.027836 0.050177 5C 1f-2 0.017525 0.004555 -0.040475 -0.038408 0.018821 -0.041156 5C 1f+3 0.009403 0.071805 0.129104 0.113917 -0.019765 -0.029481 5C 1f-3 -0.021834 0.034126 0.109804 0.090567 -0.026910 0.008544 6C 1s 0.003200 0.004658 -0.000386 0.000752 -0.000826 0.001358 6C 2s 0.008078 0.010099 -0.000889 0.001596 -0.002342 0.003432 6C 3s -0.073045 0.013865 -0.014045 0.022725 0.005600 0.000506 6C 4s -0.007448 -0.501131 0.084801 -0.150802 0.089384 -0.156806 6C 5s -0.042754 -0.199712 0.143337 -0.161754 0.071355 -0.120956 6C 1pz 0.029203 0.024102 0.065036 -0.102091 0.070436 -0.010999 6C 1px -0.062002 -0.031480 -0.207727 0.325207 -0.223855 0.049087 6C 1py -0.024834 -0.026083 -0.036163 0.055713 -0.038469 0.002983 6C 2pz 0.157975 0.098424 0.362129 -0.371204 0.228640 -0.033228 6C 2px -0.321744 -0.022755 -1.166018 1.249596 -0.838428 0.206868 6C 2py -0.150329 -0.105109 -0.166843 0.169324 -0.085483 -0.019504 6C 3pz 0.037264 0.036836 0.195290 -0.240152 0.139228 -0.075756 6C 3px -0.194774 -0.013690 -0.498331 0.743016 -0.295910 0.157581 6C 3py 0.014957 -0.079866 -0.142127 0.134618 -0.115678 0.087915 6C 1dz2 -0.011907 0.026137 -0.030410 0.058834 -0.045241 -0.008550 6C 1dxz 0.048737 0.011527 0.035461 -0.072519 0.055298 0.031397 6C 1dyz 0.025375 0.023927 0.036357 -0.061719 0.052923 -0.004271 6C 1dx2y2 0.009932 -0.025605 0.051842 -0.088471 0.078348 -0.015967 6C 1dxy -0.039636 -0.064650 -0.076589 0.121052 -0.123898 0.036365 6C 2dz2 -0.030043 0.096354 -0.002273 -0.041156 0.048959 -0.090342 6C 2dxz 0.034627 -0.103492 -0.043248 0.124622 -0.093280 0.156952 6C 2dyz -0.006240 0.073846 -0.020047 0.122943 -0.058475 0.043257 6C 2dx2y2 0.005804 -0.012197 -0.008906 0.098600 -0.071842 0.049156 6C 2dxy 0.010952 -0.020047 0.024391 -0.275950 0.114126 0.078400 6C 1f0 0.007489 -0.030208 -0.052306 0.018481 0.002937 0.052984 6C 1f+1 -0.002130 0.008200 0.024902 -0.002755 0.002436 -0.048828 6C 1f-1 -0.019584 0.000854 0.047105 -0.035329 -0.009936 -0.042269 6C 1f+2 -0.030013 -0.015512 0.125658 -0.089662 -0.019451 -0.055011 6C 1f-2 0.018772 -0.006666 -0.039895 0.038555 0.010449 0.044380 6C 1f+3 0.001798 -0.071574 0.125647 -0.115781 -0.031719 0.024409 6C 1f-3 -0.027469 -0.035466 0.107292 -0.092717 -0.028437 -0.014700 7C 1s -0.003026 0.003832 -0.001178 0.000450 -0.000810 0.000721 7C 2s -0.009304 0.008674 -0.003146 0.001781 -0.001504 0.001420 7C 3s 0.136480 0.006850 0.009155 -0.021577 0.002213 -0.016414 7C 4s -0.238183 -0.414529 0.056847 0.027917 0.069394 -0.027246 7C 5s 0.036542 -0.212149 0.158830 -0.034331 0.012778 0.162876 7C 1pz -0.004195 -0.005276 0.069068 -0.022993 -0.074938 0.093648 7C 1px -0.043232 0.071595 -0.236225 0.077078 0.234486 -0.287966 7C 1py -0.018258 0.022636 -0.046916 0.015879 0.042959 -0.050961 7C 2pz 0.026433 0.071851 0.319993 -0.048942 -0.309558 0.332698 7C 2px -0.260918 0.100812 -1.267669 0.328928 0.832422 -1.141306 7C 2py -0.082436 0.070864 -0.288744 0.087390 0.127908 -0.235459 7C 3pz 0.230643 0.015411 0.231955 -0.154384 -0.071217 0.382252 7C 3px -0.108068 0.030205 -0.567389 0.180219 0.343105 -0.729172 7C 3py 0.092046 0.024142 -0.056652 -0.007661 0.088427 -0.021454 7C 1dz2 -0.031663 0.034273 -0.058353 0.032739 0.075998 -0.062705 7C 1dxz 0.029732 -0.015179 0.089840 -0.051663 -0.134421 0.112665 7C 1dyz 0.006084 0.010670 -0.002675 -0.018250 0.006407 -0.005399 7C 1dx2y2 0.024905 -0.029761 0.011891 -0.025813 -0.003601 -0.002130 7C 1dxy 0.019430 -0.063571 0.076664 0.008285 -0.093866 0.089734 7C 2dz2 -0.014019 -0.097340 0.015267 0.019441 -0.086552 0.138939 7C 2dxz 0.060071 0.059964 -0.079365 -0.040110 0.134065 -0.258166 7C 2dyz -0.017411 -0.058135 -0.004965 -0.072891 -0.014022 -0.010539 7C 2dx2y2 -0.020536 0.044010 0.025209 -0.068246 0.008925 -0.012538 7C 2dxy -0.042295 -0.045298 -0.033310 0.188932 0.113899 -0.156100 7C 1f0 0.025316 -0.033781 -0.099005 -0.028176 -0.023109 -0.104204 7C 1f+1 -0.055024 0.019524 0.092791 0.032359 0.030164 0.100584 7C 1f-1 -0.004531 -0.013914 -0.026903 0.041682 -0.009363 -0.023858 7C 1f+2 0.006182 0.027131 0.074216 0.007817 0.011020 0.065564 7C 1f-2 -0.038131 0.073226 0.106310 -0.051722 0.028129 0.110854 7C 1f+3 -0.005482 0.066450 0.097444 -0.076678 0.020330 0.078621 7C 1f-3 -0.010163 0.015164 0.029077 -0.017235 0.005526 0.011771 8C 1s 0.000320 -0.000063 0.000656 -0.000583 -0.000225 -0.000169 8C 2s 0.000276 0.000013 0.000931 -0.000977 0.000076 -0.000249 8C 3s 0.016517 -0.008936 0.000241 -0.003784 -0.003036 -0.000020 8C 4s -0.087317 0.073567 -0.014993 0.016442 0.018979 0.020203 8C 5s 0.055540 0.044015 -0.223607 0.188279 -0.110750 0.148749 8C 1pz 0.000846 0.001626 0.003852 -0.005685 0.003527 -0.001575 8C 1px -0.003692 -0.000797 -0.015866 0.023495 -0.015329 0.003800 8C 1py 0.001046 -0.002635 -0.001912 0.002007 -0.001736 -0.001166 8C 2pz 0.006810 -0.051037 -0.061007 0.115049 -0.077524 0.022500 8C 2px 0.054793 0.022985 0.182135 -0.318295 0.211956 -0.061012 8C 2py -0.033248 0.070600 0.059463 -0.097676 0.067956 0.010007 8C 3pz -0.018714 0.006427 0.005186 0.011076 0.002317 -0.030009 8C 3px 0.026681 0.015154 0.064595 -0.073240 0.048648 -0.075139 8C 3py 0.015391 0.021982 -0.025779 0.021045 -0.020369 -0.001046 8C 1dz2 0.001134 0.004917 -0.004791 0.001288 0.005052 -0.000361 8C 1dxz -0.004867 -0.007942 0.011159 -0.007390 -0.006430 0.001067 8C 1dyz -0.001726 -0.003391 0.007122 -0.000683 -0.008268 -0.002736 8C 1dx2y2 -0.000929 -0.005946 0.006602 0.000300 -0.010287 -0.000494 8C 1dxy 0.009637 0.003984 -0.011968 0.000074 0.013276 0.006488 8C 2dz2 0.020083 -0.009198 0.009788 -0.036720 0.029834 0.001135 8C 2dxz -0.029771 0.027412 0.029568 -0.012489 -0.013136 -0.025704 8C 2dyz 0.000012 -0.022813 -0.011662 0.035991 -0.041834 -0.005422 8C 2dx2y2 -0.020034 -0.017287 -0.048422 0.097140 -0.072028 0.008747 8C 2dxy 0.034721 0.016947 0.048966 -0.109623 0.103970 -0.025798 8C 1f0 -0.002829 -0.001246 -0.001572 0.006359 -0.007102 0.001160 8C 1f+1 -0.000260 0.000961 0.013192 -0.012312 0.001527 -0.005303 8C 1f-1 0.006116 0.006227 -0.000953 -0.009971 0.016280 0.000026 8C 1f+2 0.008017 0.007089 -0.003357 -0.016037 0.031947 -0.000512 8C 1f-2 -0.010480 -0.006541 0.006127 0.003629 -0.014839 -0.000646 8C 1f+3 0.015614 0.007691 -0.007418 -0.011291 0.028084 0.002955 8C 1f-3 0.015274 0.009353 -0.010045 -0.013122 0.034291 0.004790 9C 1s -0.000387 0.000101 0.000693 -0.000145 0.000152 0.000885 9C 2s -0.000199 0.000013 0.001117 -0.000362 -0.000103 0.001413 9C 3s -0.022463 0.000236 -0.004257 0.010134 -0.008755 0.000245 9C 4s 0.110051 0.044966 0.011429 -0.033101 0.045289 -0.016624 9C 5s -0.249974 0.133280 -0.231731 0.154358 -0.028003 -0.397267 9C 1pz 0.001319 0.002681 0.004788 -0.001173 -0.002798 0.005360 9C 1px -0.001614 0.001881 -0.017516 0.005204 0.015752 -0.021853 9C 1py -0.002007 0.001702 -0.003782 -0.000720 0.004774 -0.006211 9C 2pz -0.073612 -0.057130 -0.132381 0.044902 0.072296 -0.151840 9C 2px 0.001080 -0.047193 0.199778 -0.075877 -0.232350 0.292381 9C 2py -0.023488 -0.051435 0.003688 0.016996 -0.050244 0.038258 9C 3pz 0.039283 -0.033424 0.020998 0.008647 0.012717 0.055525 9C 3px 0.042817 0.007852 0.068214 -0.033393 -0.030087 0.087551 9C 3py 0.036621 -0.005694 0.030672 -0.066726 -0.005193 0.046025 9C 1dz2 0.007985 -0.009621 -0.003529 -0.000913 -0.009910 -0.001603 9C 1dxz -0.004469 0.017077 0.012853 -0.003972 0.015788 0.007236 9C 1dyz 0.007112 -0.000449 0.000023 -0.002743 -0.001483 -0.001285 9C 1dx2y2 -0.001397 0.001179 -0.004803 -0.001914 0.001896 -0.004991 9C 1dxy -0.005986 0.009391 0.009179 0.004038 0.011919 0.006539 9C 2dz2 0.032269 -0.003216 0.061862 -0.025846 -0.067768 0.084327 9C 2dxz -0.040632 0.039125 -0.034995 0.022497 0.090934 -0.064311 9C 2dyz 0.028891 0.014843 0.008535 0.000928 0.016153 -0.001559 9C 2dx2y2 -0.001626 -0.020099 -0.058962 0.032134 0.041009 -0.073251 9C 2dxy -0.005733 0.041612 -0.037073 -0.000723 0.074992 -0.063733 9C 1f0 -0.015031 0.021409 0.005776 0.000342 0.029134 -0.001829 9C 1f+1 0.006638 -0.015163 -0.001443 -0.002760 -0.026347 0.007683 9C 1f-1 -0.009264 0.007283 -0.004051 0.005182 0.012227 -0.007455 9C 1f+2 0.012147 -0.013036 0.000985 -0.001966 -0.016903 0.003777 9C 1f-2 0.013700 -0.019521 -0.002527 -0.003265 -0.037442 0.008446 9C 1f+3 0.008486 -0.014435 0.001302 -0.004373 -0.023303 0.007141 9C 1f-3 -0.005085 0.002786 0.008957 -0.003913 0.001223 0.010450 10H 1s 0.011824 0.012110 -0.006159 -0.000568 -0.011240 0.000224 10H 2s 0.017743 0.021612 -0.145090 -0.049401 0.050360 0.203587 10H 3s -0.027722 -0.002633 0.007201 -0.010852 -0.045800 -0.035749 10H 1pz 0.001484 0.006671 -0.036955 -0.012763 0.013196 0.048541 10H 1px -0.007353 -0.009747 0.027524 0.007216 -0.000823 -0.033061 10H 1py 0.003011 -0.000237 -0.017269 -0.000208 0.005675 0.023206 11H 1s -0.002366 0.006879 0.016237 0.001220 -0.003074 -0.021380 11H 2s -0.024022 0.002122 -0.036454 0.002177 -0.007773 0.042696 11H 3s -0.006704 -0.012781 -0.024564 -0.051452 -0.001418 0.038114 11H 1pz -0.000579 0.001417 -0.005203 0.002565 -0.002242 0.006791 11H 1px -0.003854 -0.000778 -0.000718 0.005372 -0.001428 0.000405 11H 1py 0.004249 -0.003317 0.004198 0.002511 -0.001615 -0.005002 12H 1s 0.001907 -0.002812 0.021908 0.011434 -0.001873 -0.025444 12H 2s -0.008162 -0.005014 0.001307 0.002625 -0.023418 -0.017782 12H 3s -0.015752 -0.035825 -0.038227 0.031134 0.005679 0.081327 12H 1pz 0.002439 0.001411 0.002505 -0.000089 -0.004916 -0.005021 12H 1px -0.003090 0.001488 0.006382 -0.000010 -0.004711 -0.010800 12H 1py -0.000302 -0.000027 0.006358 0.000729 -0.004143 -0.010409 13H 1s 0.004106 0.000905 -0.010676 -0.002531 0.009921 -0.002451 13H 2s -0.004709 0.032460 -0.121632 -0.166845 -0.075556 -0.066925 13H 3s -0.000948 -0.011772 0.002002 0.039315 0.036762 -0.018432 13H 1pz -0.003151 0.001587 -0.028579 -0.036195 -0.012133 -0.009694 13H 1px -0.002423 -0.006146 0.017545 0.017605 0.003369 0.008783 13H 1py 0.001289 -0.007615 0.025946 0.034531 0.018298 0.014118 14H 1s -0.003793 -0.003697 0.020658 0.019712 0.004716 0.012420 14H 2s -0.022000 -0.018207 0.026231 0.039359 0.035291 0.019849 14H 3s 0.007341 -0.021065 -0.041947 -0.069046 -0.037432 0.024710 14H 1pz -0.004186 0.000119 0.006448 0.006976 0.004718 0.002872 14H 1px -0.003810 -0.001413 0.014794 0.018112 0.010458 0.006012 14H 1py -0.002185 0.001457 -0.003332 -0.007441 -0.009171 -0.001707 15H 1s 0.004346 0.004500 0.011991 0.016076 0.005627 0.002997 15H 2s -0.007650 0.001152 -0.031284 -0.032092 -0.009156 0.005062 15H 3s 0.003388 0.004854 -0.025155 -0.020801 0.000524 -0.043242 15H 1pz -0.000065 -0.002337 0.001317 0.002428 0.003058 -0.001387 15H 1px -0.002610 -0.004632 0.002419 0.002031 0.000478 0.005110 15H 1py 0.003985 0.000694 0.006149 0.006187 -0.000270 -0.003000 16H 1s -0.569322 -0.514980 0.124349 -0.152246 -0.288809 -0.139637 16H 2s -0.854081 -0.801064 0.173549 -0.233055 -0.507948 -0.253235 16H 3s 0.056872 0.063854 -0.069870 0.026816 0.043891 0.021841 16H 1pz -0.570123 -0.524083 0.120654 -0.144416 -0.294655 -0.152568 16H 1px 0.082627 0.079630 -0.015788 0.018625 0.020654 0.005761 16H 1py -0.314350 -0.285088 0.064241 -0.069261 -0.120834 -0.081161 17H 1s -0.546348 -0.493748 0.090401 0.065632 0.370129 -0.099161 17H 2s -0.798700 -0.754477 0.118795 0.111734 0.610812 -0.183995 17H 3s 0.056907 0.060080 -0.071519 -0.011066 -0.063753 0.009517 17H 1pz 0.305026 0.279785 -0.049539 -0.029958 -0.228471 0.059743 17H 1px 0.390576 0.361543 -0.061934 -0.052553 -0.250020 0.083437 17H 1py -0.380531 -0.347348 0.062276 0.026607 0.222580 -0.073540 18H 1s 0.510155 -0.530629 -0.086361 0.089662 -0.335039 -0.182164 18H 2s 0.742107 -0.806454 -0.111852 0.153567 -0.543894 -0.323146 18H 3s -0.052362 0.064012 0.071081 -0.016715 0.059636 0.024495 18H 1pz 0.294066 -0.310403 -0.049288 0.045959 -0.211590 -0.114466 18H 1px 0.364869 -0.388616 -0.059046 0.070107 -0.221848 -0.140974 18H 1py -0.345713 0.363037 0.058598 -0.040775 0.192658 0.119944 19H 1s 0.532255 -0.554156 -0.127897 -0.154448 0.301346 -0.075102 19H 2s 0.798787 -0.862802 -0.179154 -0.233787 0.536809 -0.138635 19H 3s -0.052106 0.067096 0.070567 0.026021 -0.045847 0.012768 19H 1pz -0.526067 0.556809 0.122172 0.143539 -0.308406 0.084772 19H 1px 0.081781 -0.090548 -0.017503 -0.018080 0.022232 -0.002223 19H 1py -0.305205 0.318773 0.068494 0.071826 -0.137183 0.056410 20H 1s -0.004200 0.004870 -0.011875 0.017022 -0.005674 0.001586 20H 2s 0.007725 0.000168 0.030784 -0.033660 0.006396 0.006991 20H 3s -0.003304 0.004189 0.025612 -0.022695 0.009308 -0.042812 20H 1pz 0.000202 0.002276 0.001246 -0.002659 0.002544 0.001987 20H 1px -0.002482 0.004720 0.002407 -0.002135 0.001612 -0.004887 20H 1py 0.003869 -0.000947 0.006003 -0.006246 -0.001260 0.002903 21H 1s 0.003760 -0.003697 -0.020312 0.020706 -0.006798 0.010986 21H 2s 0.021293 -0.019001 -0.023580 0.039467 -0.036307 0.010137 21H 3s -0.007944 -0.021373 0.039768 -0.071953 0.027611 0.032616 21H 1pz -0.004334 0.000045 0.006015 -0.007120 0.004869 -0.001615 21H 1px -0.003795 0.001452 0.013916 -0.018466 0.010583 -0.003138 21H 1py -0.002449 -0.001186 -0.002972 0.007724 -0.008892 -0.000563 22H 1s -0.004804 0.001079 0.010553 -0.002130 -0.009378 -0.004504 22H 2s 0.006437 0.030470 0.118544 -0.174513 0.082251 -0.047362 22H 3s -0.000073 -0.011610 -0.000167 0.040210 -0.030015 -0.025909 22H 1pz -0.003103 -0.001003 -0.027688 0.037493 -0.012498 0.006474 22H 1px -0.002461 0.005998 0.017318 -0.018411 0.004582 -0.007723 22H 1py 0.001784 0.007233 0.025357 -0.036267 0.019656 -0.009515 23H 1s -0.002585 -0.002711 -0.021257 0.011912 0.008336 -0.024619 23H 2s 0.007268 -0.005908 0.001859 0.000355 0.024866 -0.008389 23H 3s 0.013363 -0.036757 0.038347 0.030532 -0.022553 0.078267 23H 1pz 0.002312 -0.001553 0.002355 0.000416 -0.005794 0.003509 23H 1px -0.003234 -0.001201 0.005872 0.000228 -0.006732 0.009060 23H 1py -0.000207 0.000064 0.005489 -0.000354 -0.006124 0.008381 24H 1s 0.003102 0.006659 -0.016462 0.001548 0.008202 -0.020836 24H 2s 0.025018 0.000646 0.035985 0.001387 -0.001785 0.043516 24H 3s 0.007000 -0.014194 0.023782 -0.053387 -0.010216 0.038515 24H 1pz -0.000744 -0.001480 -0.005040 -0.002352 -0.000910 -0.007088 24H 1px -0.003837 0.000966 -0.000867 -0.005395 -0.001601 -0.000709 24H 1py 0.004625 0.003007 0.004006 -0.002523 -0.002940 0.004445 25H 1s -0.011281 0.013099 0.005873 -0.001224 0.011234 0.002752 25H 2s -0.016375 0.024288 0.142629 -0.050926 -0.097925 0.189603 25H 3s 0.028012 -0.005433 -0.006488 -0.010890 0.052325 -0.023516 25H 1pz 0.001033 -0.007282 -0.036407 0.013227 0.024439 -0.044965 25H 1px -0.006890 0.010438 0.027058 -0.007816 -0.008627 0.032507 25H 1py 0.003287 -0.000002 -0.016968 0.000365 0.010939 -0.021408 26O 1s 0.001487 0.001427 0.003891 0.001294 -0.000881 -0.004036 26O 2s 0.004915 0.004680 0.012781 0.004016 -0.003312 -0.012557 26O 3s -0.050340 -0.047183 -0.163887 -0.042873 0.029565 0.139348 26O 4s 0.000845 -0.050622 0.189477 0.002014 0.171550 0.007651 26O 5s 0.353131 0.530295 1.346756 0.307517 -0.930419 -1.215895 26O 1pz -0.011179 -0.008566 0.030236 -0.004291 -0.001954 -0.038638 26O 1px 0.039769 0.049500 0.085522 0.023326 -0.054915 -0.086905 26O 1py 0.015464 0.006975 0.048928 0.024690 -0.023782 -0.052568 26O 2pz 0.048314 0.025391 -0.161068 0.007952 0.012061 0.201682 26O 2px -0.111803 -0.164569 -0.361633 -0.065164 0.168408 0.282273 26O 2py -0.042544 -0.017680 -0.226993 -0.099812 0.077276 0.214291 26O 3pz 0.009321 0.092144 -0.189190 0.032356 -0.120683 0.367273 26O 3px -0.063141 -0.110155 -0.615299 -0.111274 0.224665 0.731992 26O 3py 0.002734 0.070789 -0.364370 -0.249522 0.010665 0.460352 26O 1dz2 0.059691 0.005946 0.161772 0.029764 -0.045637 -0.180584 26O 1dxz -0.024066 -0.041090 -0.179419 0.021007 0.070926 0.223140 26O 1dyz -0.054418 -0.104148 -0.100953 -0.011888 0.140907 0.201232 26O 1dx2y2 -0.022285 -0.092420 -0.175202 0.001206 0.103272 0.229990 26O 1dxy -0.101675 -0.063033 -0.307150 -0.193529 0.186852 0.385280 26O 2dz2 -0.070829 -0.035406 -0.203074 -0.047960 0.075174 0.223401 26O 2dxz 0.004281 0.017088 0.281768 -0.025500 -0.058765 -0.335011 26O 2dyz 0.046171 0.085616 0.158167 0.016227 -0.135973 -0.250541 26O 2dx2y2 0.045129 0.144904 0.200231 -0.019699 -0.144832 -0.254659 26O 2dxy 0.114200 0.067234 0.414999 0.244571 -0.215578 -0.486676 26O 1f0 -0.013312 -0.006115 0.089204 -0.015354 0.007810 -0.096285 26O 1f+1 0.043293 0.057691 0.046132 0.019289 -0.063361 -0.064608 26O 1f-1 0.015450 0.020830 0.043352 0.037027 -0.036604 -0.067729 26O 1f+2 0.009409 0.003390 -0.066392 0.013460 -0.001706 0.075241 26O 1f-2 0.005187 0.013573 -0.100270 0.002206 -0.010844 0.102964 26O 1f+3 0.019228 0.073544 -0.015459 -0.053596 -0.047343 -0.010884 26O 1f-3 0.056533 0.045756 0.133479 0.075714 -0.073084 -0.153746 27O 1s 0.000278 0.000883 0.003278 0.004099 0.002078 0.001642 27O 2s 0.001212 0.002832 0.010878 0.012828 0.007130 0.005178 27O 3s -0.020757 -0.041045 -0.144316 -0.147186 -0.077483 -0.058869 27O 4s 0.012363 0.099804 0.188005 0.044313 -0.116436 0.005129 27O 5s 0.423300 0.189987 1.206084 1.215885 1.238211 0.534107 27O 1pz -0.005305 -0.014267 0.011528 0.010401 -0.003738 0.011220 27O 1px 0.011050 0.008613 0.082216 0.096254 0.082801 0.044320 27O 1py -0.002210 -0.004844 -0.038942 -0.048384 -0.018067 -0.003282 27O 2pz 0.025624 0.060708 -0.068708 -0.074959 0.000758 -0.061204 27O 2px -0.077776 -0.066071 -0.371319 -0.345861 -0.279300 -0.159276 27O 2py 0.021766 0.036030 0.194787 0.232967 0.081899 0.025256 27O 3pz 0.022276 0.080665 -0.047438 -0.085546 0.096172 -0.159877 27O 3px -0.125571 -0.008605 -0.634701 -0.792800 -0.420166 -0.302775 27O 3py 0.006932 -0.039250 0.240324 0.419090 0.025839 -0.014810 27O 1dz2 0.047666 0.010278 0.180716 0.264428 0.195709 0.146703 27O 1dxz 0.016527 0.114952 -0.066743 -0.047724 -0.023909 -0.100850 27O 1dyz 0.010101 -0.011084 0.020156 0.086403 0.112196 0.053646 27O 1dx2y2 0.016362 0.038109 -0.239465 -0.292200 -0.192585 -0.128941 27O 1dxy 0.082788 0.018217 0.230269 0.348974 0.226420 0.032212 27O 2dz2 -0.058752 -0.019446 -0.244094 -0.329276 -0.241532 -0.173551 27O 2dxz -0.031421 -0.125557 0.124597 0.090384 0.012191 0.146882 27O 2dyz -0.008066 0.011880 -0.032202 -0.083765 -0.111244 -0.064661 27O 2dx2y2 0.009385 -0.033104 0.292840 0.356193 0.262723 0.172772 27O 2dxy -0.090213 -0.059539 -0.352587 -0.477158 -0.261105 -0.049778 27O 1f0 -0.019154 -0.021544 0.037727 0.001190 -0.032273 0.035783 27O 1f+1 0.010833 -0.004396 0.091320 0.116516 0.086927 0.065978 27O 1f-1 0.001502 -0.008420 -0.049442 -0.058484 -0.020448 -0.013681 27O 1f+2 0.019907 0.027953 -0.053336 -0.038099 0.016467 -0.053024 27O 1f-2 -0.011637 -0.001390 0.024483 0.012181 -0.008307 0.026632 27O 1f+3 0.016056 -0.036189 0.032065 0.069007 0.103429 0.060428 27O 1f-3 -0.019252 -0.052647 -0.153416 -0.184126 -0.065804 -0.015876 28O 1s -0.000325 0.000805 -0.002541 -0.000581 0.001326 0.003987 28O 2s -0.001369 0.002509 -0.008651 -0.001977 0.004779 0.012440 28O 3s 0.028220 -0.040285 0.113037 0.024707 -0.051596 -0.136780 28O 4s -0.073617 0.133073 -0.063399 0.004754 -0.113039 -0.050998 28O 5s -0.352394 0.104833 -1.301850 -0.337761 0.951224 1.354687 28O 1pz 0.004346 -0.008729 -0.067972 -0.012565 0.035061 0.083908 28O 1px 0.001862 -0.004088 0.050674 0.015253 -0.051555 -0.065682 28O 1py 0.003519 0.001774 -0.025385 -0.019893 0.001089 0.025209 28O 2pz 0.025405 0.000956 0.309532 0.056156 -0.122187 -0.334102 28O 2px -0.064310 0.051867 -0.200341 -0.060228 0.171581 0.183136 28O 2py -0.003668 -0.021296 0.123811 0.089921 -0.009109 -0.129845 28O 3pz 0.063268 0.053821 0.501612 0.087024 -0.079718 -0.776944 28O 3px -0.118757 0.059915 -0.445751 -0.184792 0.271366 0.530948 28O 3py 0.007290 0.009455 0.125383 0.213623 0.050765 -0.210768 28O 1dz2 0.016560 0.096874 0.156887 0.010855 -0.092366 -0.222186 28O 1dxz 0.004627 -0.051580 -0.319800 -0.047189 0.181707 0.447570 28O 1dyz 0.067774 -0.009555 0.132780 0.107329 -0.146266 -0.232072 28O 1dx2y2 -0.036687 -0.020359 0.103824 0.068468 -0.090144 -0.158391 28O 1dxy -0.021826 -0.001543 -0.103845 -0.125599 0.012264 0.081555 28O 2dz2 -0.003390 -0.074990 -0.239057 -0.000870 0.080839 0.312070 28O 2dxz 0.020003 0.037270 0.419521 0.070639 -0.237543 -0.568664 28O 2dyz -0.061345 0.041057 -0.193943 -0.138600 0.144510 0.284297 28O 2dx2y2 0.005120 0.013843 -0.104707 -0.079818 0.139551 0.165721 28O 2dxy 0.019280 -0.027196 0.159186 0.167999 -0.010540 -0.141182 28O 1f0 -0.016515 -0.016148 0.002382 -0.018403 0.053612 0.014261 28O 1f+1 0.018568 -0.005638 -0.147692 0.007827 0.024179 0.183576 28O 1f-1 -0.012504 -0.030374 0.043304 0.014323 0.013580 -0.034364 28O 1f+2 0.019486 0.022372 0.076832 0.026578 -0.096188 -0.132151 28O 1f-2 0.004070 0.043859 -0.095494 -0.072825 0.006748 0.108522 28O 1f+3 0.013490 0.017926 -0.001486 0.012959 -0.056453 -0.019410 28O 1f-3 -0.007135 0.023620 -0.047529 -0.058089 0.002327 0.038454 29O 1s 0.015761 0.014007 -0.003371 0.001312 -0.001227 0.003209 29O 2s 0.055403 0.049567 -0.011820 0.004523 -0.004194 0.011626 29O 3s -0.857353 -0.772030 0.177304 -0.069047 0.063335 -0.187726 29O 4s 2.000012 1.783362 -0.378024 0.161689 -0.145857 0.441742 29O 5s 0.323668 0.419685 -0.234004 0.013222 -0.019232 0.131301 29O 1pz 0.059859 0.054487 -0.014516 0.050500 0.128540 0.019435 29O 1px -0.112092 -0.099565 0.008959 0.007522 0.056177 -0.025126 29O 1py 0.139332 0.129794 -0.034134 0.005211 -0.022009 0.028478 29O 2pz -0.328919 -0.300128 0.084544 -0.268589 -0.739324 -0.117567 29O 2px 0.592815 0.536683 -0.058968 -0.041612 -0.318811 0.126976 29O 2py -0.831191 -0.767831 0.181242 -0.041073 0.127783 -0.186688 29O 3pz -0.083543 -0.056462 -0.009177 -0.043649 -0.201022 -0.051358 29O 3px 0.121675 0.066939 0.048968 -0.000520 -0.080550 0.021069 29O 3py -0.150003 -0.148832 -0.018397 -0.025011 0.027322 -0.083136 29O 1dz2 -0.382058 -0.341149 0.077131 -0.060027 -0.123669 -0.103646 29O 1dxz -0.298431 -0.271243 0.046298 0.000508 0.169283 -0.024019 29O 1dyz -0.022230 -0.018400 0.019240 -0.124058 -0.258901 -0.010121 29O 1dx2y2 0.094097 0.079229 -0.036483 -0.005594 0.041492 0.029182 29O 1dxy 0.191746 0.161002 -0.042845 -0.006454 -0.129645 0.072538 29O 2dz2 0.655639 0.591685 -0.132119 0.136957 0.275272 0.174949 29O 2dxz 0.475722 0.432016 -0.067432 -0.040559 -0.338340 0.063144 29O 2dyz 0.073626 0.065253 -0.039642 0.209700 0.538564 0.037024 29O 2dx2y2 -0.128124 -0.108337 0.032385 -0.014298 -0.083633 -0.039477 29O 2dxy -0.416688 -0.369214 0.075800 0.032546 0.269441 -0.111207 29O 1f0 -0.382799 -0.346797 0.071389 -0.032508 0.000695 -0.087462 29O 1f+1 0.145178 0.131529 -0.023895 0.003668 -0.038786 0.029064 29O 1f-1 -0.458205 -0.417871 0.090597 -0.077121 -0.127862 -0.108076 29O 1f+2 0.140591 0.126487 -0.028848 0.037992 0.057940 0.037074 29O 1f-2 -0.293703 -0.268449 0.044550 0.038334 0.245186 -0.046652 29O 1f+3 0.094752 0.085249 -0.013813 -0.010775 -0.074993 0.022369 29O 1f-3 0.109143 0.101153 -0.013241 -0.026287 -0.115665 0.003948 30O 1s -0.001693 0.001814 -0.002786 -0.003400 -0.001498 -0.000586 30O 2s -0.005675 0.006028 -0.009268 -0.010503 -0.005275 -0.001901 30O 3s 0.067345 -0.071244 0.120805 0.110635 0.053403 0.019558 30O 4s -0.067380 0.054908 -0.120156 0.072860 0.172743 0.044878 30O 5s -0.448438 0.493556 -1.138273 -1.060848 -1.171587 -0.334180 30O 1pz -0.011967 0.024738 -0.046382 -0.050687 -0.035840 -0.026364 30O 1px 0.035598 -0.038739 0.037950 0.047188 0.052646 0.004691 30O 1py 0.020570 -0.009369 0.056095 0.065606 0.042017 0.012461 30O 2pz 0.043853 -0.104817 0.209326 0.181345 0.124221 0.104368 30O 2px -0.129359 0.144091 -0.148294 -0.099999 -0.157887 0.002856 30O 2py -0.079643 0.039016 -0.263297 -0.260578 -0.153154 -0.047851 30O 3pz 0.080408 -0.078127 0.352648 0.438291 0.122368 0.293831 30O 3px -0.126397 0.148858 -0.346727 -0.367357 -0.328781 -0.072355 30O 3py -0.093359 -0.030226 -0.424894 -0.624251 -0.138258 -0.075331 30O 1dz2 -0.055994 -0.024385 -0.011294 -0.072976 -0.065116 0.054446 30O 1dxz -0.055613 0.088364 -0.186025 -0.226750 -0.140173 -0.150201 30O 1dyz -0.083029 0.116500 -0.224477 -0.361665 -0.291248 -0.118429 30O 1dx2y2 -0.034031 -0.022590 -0.056507 -0.069635 -0.043350 -0.037756 30O 1dxy 0.080885 0.015918 0.232873 0.291376 0.153444 0.010391 30O 2dz2 0.068881 0.024612 -0.000961 0.065156 0.080833 -0.091428 30O 2dxz 0.075545 -0.136011 0.227805 0.267868 0.184235 0.180707 30O 2dyz 0.097297 -0.126427 0.324616 0.448256 0.325541 0.151458 30O 2dx2y2 0.016018 0.060050 0.129727 0.136397 0.028723 0.051153 30O 2dxy -0.110295 0.005822 -0.302987 -0.372035 -0.204460 -0.012592 30O 1f0 -0.036942 0.030168 -0.058067 -0.072612 -0.053983 -0.012628 30O 1f+1 0.013645 0.034182 -0.035782 -0.014627 0.003311 -0.067358 30O 1f-1 0.003305 0.017147 -0.037918 -0.029617 -0.000578 -0.040421 30O 1f+2 0.014871 -0.052487 -0.053502 -0.024762 0.042937 0.016756 30O 1f-2 0.045686 -0.057032 0.130442 0.170730 0.101634 0.058031 30O 1f+3 -0.015779 -0.024379 -0.104170 -0.110718 -0.022726 -0.008651 30O 1f-3 0.046294 -0.030771 0.014835 0.051720 0.073056 -0.014984 31O 1s 0.001805 0.001666 0.002699 -0.003505 0.001463 -0.000191 31O 2s 0.006049 0.005521 0.009001 -0.010871 0.005177 -0.000512 31O 3s -0.070982 -0.064289 -0.118045 0.115095 -0.052399 0.005090 31O 4s 0.061761 0.042842 0.122501 0.076905 -0.174595 0.006108 31O 5s 0.492160 0.447198 1.110649 -1.133011 1.174925 -0.042046 31O 1pz -0.013811 -0.023570 -0.045228 0.053074 -0.039067 0.016802 31O 1px 0.039601 0.036474 0.036681 -0.049664 0.050552 0.008379 31O 1py 0.021513 0.007778 0.054308 -0.068440 0.041372 -0.001893 31O 2pz 0.050030 0.097786 0.205318 -0.190976 0.138133 -0.070447 31O 2px -0.142371 -0.133061 -0.145615 0.108466 -0.149581 -0.042654 31O 2py -0.082180 -0.030121 -0.256131 0.272624 -0.150327 0.008725 31O 3pz 0.080557 0.064956 0.344698 -0.453940 0.170043 -0.256482 31O 3px -0.136281 -0.131087 -0.336712 0.387960 -0.321681 -0.009121 31O 3py -0.084714 0.046932 -0.409444 0.641379 -0.127384 0.041350 31O 1dz2 0.057724 -0.027196 0.008193 -0.075185 0.047844 0.068541 31O 1dxz 0.062177 0.083800 0.181357 -0.236260 0.162296 -0.112056 31O 1dyz 0.094913 0.108414 0.214980 -0.378340 0.296811 -0.046251 31O 1dx2y2 0.034182 -0.024926 0.054748 -0.073947 0.048784 -0.026450 31O 1dxy -0.082108 0.020668 -0.224320 0.302342 -0.140167 -0.027093 31O 2dz2 -0.071692 0.028035 0.004308 0.067499 -0.055036 -0.108385 31O 2dxz -0.085372 -0.128368 -0.222417 0.280066 -0.210772 0.130912 31O 2dyz -0.107951 -0.115894 -0.313153 0.468776 -0.334103 0.069704 31O 2dx2y2 -0.010994 0.061350 -0.126189 0.142116 -0.034527 0.042966 31O 2dxy 0.112964 -0.002671 0.292226 -0.386612 0.187242 0.037443 31O 1f0 -0.039821 -0.027766 -0.056171 0.075719 -0.052658 -0.000918 31O 1f+1 0.013152 -0.034161 -0.036326 0.015724 -0.011815 0.066186 31O 1f-1 0.003580 -0.016735 -0.037687 0.030651 -0.008709 0.039121 31O 1f+2 0.021357 0.051387 -0.052735 0.024573 0.046978 -0.006220 31O 1f-2 0.049905 0.052541 0.126216 -0.177597 0.105684 -0.031932 31O 1f+3 -0.012662 0.026310 -0.101081 0.114340 -0.019723 0.002767 31O 1f-3 0.051439 0.027636 0.013050 -0.054495 0.065850 0.032119 32O 1s -0.014750 0.015090 0.003369 0.001004 0.000599 0.003495 32O 2s -0.051819 0.053367 0.011809 0.003422 0.001890 0.012598 32O 3s 0.801539 -0.830837 -0.177059 -0.051588 -0.025466 -0.202296 32O 4s -1.871273 1.920915 0.377518 0.122380 0.056732 0.474549 32O 5s -0.293025 0.440651 0.232945 -0.006447 -0.014514 0.139020 32O 1pz 0.052715 -0.055162 -0.015318 -0.054659 0.126713 0.010333 32O 1px -0.106001 0.108448 0.008649 -0.011120 0.048220 0.037682 32O 1py 0.130327 -0.139737 -0.034175 -0.002884 -0.012341 -0.033140 32O 2pz -0.288492 0.302918 0.088557 0.292072 -0.731092 -0.054635 32O 2px 0.560656 -0.584301 -0.057390 0.062497 -0.276642 -0.199554 32O 2py -0.778145 0.827323 0.181607 0.026958 0.067019 0.213433 32O 3pz -0.079235 0.062930 -0.006705 0.050794 -0.203927 0.002943 32O 3px 0.117505 -0.076021 0.049842 0.002538 -0.072235 -0.038596 32O 3py -0.139361 0.158995 -0.018327 0.021435 0.002231 0.087676 32O 1dz2 0.357429 -0.367469 -0.077336 -0.053380 0.125531 -0.078739 32O 1dxz 0.280395 -0.293126 -0.045481 0.015421 -0.165797 -0.064282 32O 1dyz 0.036106 -0.035777 -0.026048 -0.136240 0.251314 0.045788 32O 1dx2y2 -0.087016 0.084633 0.036291 -0.002625 -0.055186 0.017531 32O 1dxy -0.175928 0.169622 0.040910 -0.012876 0.102614 0.098816 32O 2dz2 -0.612617 0.636483 0.133348 0.126888 -0.271970 0.117985 32O 2dxz -0.447765 0.467891 0.064746 -0.067556 0.325347 0.143014 32O 2dyz -0.094226 0.096991 0.051546 0.234176 -0.527845 -0.080223 32O 2dx2y2 0.117922 -0.114943 -0.032894 -0.021009 0.104419 -0.016747 32O 2dxy 0.382342 -0.389549 -0.071999 0.046985 -0.223108 -0.167464 32O 1f0 -0.331855 0.345902 0.066076 0.022016 -0.008855 0.082682 32O 1f+1 0.153417 -0.160001 -0.026661 0.000958 -0.037816 -0.043308 32O 1f-1 -0.442773 0.464754 0.094580 0.074007 -0.139751 0.083754 32O 1f+2 0.152521 -0.158312 -0.033671 -0.038912 0.061381 -0.028637 32O 1f-2 -0.266353 0.280171 0.040647 -0.055095 0.228793 0.100630 32O 1f+3 0.079572 -0.082157 -0.011764 0.012975 -0.058249 -0.035856 32O 1f-3 0.098045 -0.104631 -0.011353 0.033935 -0.112278 -0.029884 33O 1s 0.000382 0.000757 0.002468 -0.000593 -0.002221 0.003588 33O 2s 0.001563 0.002335 0.008422 -0.001999 -0.007564 0.011053 33O 3s -0.031092 -0.036706 -0.110409 0.025019 0.082253 -0.121748 33O 4s 0.080375 0.119106 0.062763 0.001262 0.123866 -0.024481 33O 5s 0.369571 0.086759 1.280300 -0.327938 -1.253183 1.109526 33O 1pz 0.004546 0.007611 -0.066559 0.012999 0.054225 -0.074356 33O 1px 0.003360 0.004773 0.049479 -0.014848 -0.066078 0.052675 33O 1py 0.002505 -0.002530 -0.024507 0.020486 0.007731 -0.024553 33O 2pz 0.025979 -0.001954 0.303681 -0.057874 -0.198671 0.299577 33O 2px -0.072207 -0.047441 -0.196494 0.057988 0.211835 -0.140370 33O 2py 0.001388 0.023522 0.119750 -0.092407 -0.042402 0.125369 33O 3pz 0.055953 -0.058562 0.491275 -0.093924 -0.259099 0.742643 33O 3px -0.123167 -0.049702 -0.435728 0.183260 0.392973 -0.456822 33O 3py 0.006012 -0.012591 0.118670 -0.219188 -0.008554 0.219514 33O 1dz2 -0.007207 0.098407 -0.153940 0.009676 0.142149 -0.195277 33O 1dxz -0.006450 -0.046957 0.313366 -0.048777 -0.282680 0.397279 33O 1dyz -0.073408 -0.006155 -0.127512 0.103231 0.200909 -0.192914 33O 1dx2y2 0.034449 -0.024976 -0.099993 0.068825 0.126946 -0.134357 33O 1dxy 0.026895 -0.001372 0.099609 -0.127964 -0.036797 0.078226 33O 2dz2 -0.006215 -0.075418 0.235147 -0.002219 -0.150840 0.286099 33O 2dxz -0.019208 0.034932 -0.411147 0.071743 0.365734 -0.502964 33O 2dyz 0.069080 0.038472 0.187344 -0.136308 -0.212131 0.244831 33O 2dx2y2 -0.001846 0.015574 0.100462 -0.077677 -0.177374 0.129764 33O 2dxy -0.026897 -0.028024 -0.153232 0.171896 0.050335 -0.137281 33O 1f0 -0.017163 0.016828 0.002672 0.016262 0.056522 -0.001804 33O 1f+1 0.021049 0.003548 -0.145655 -0.005244 0.065470 -0.174610 33O 1f-1 -0.010321 0.031996 0.042557 -0.016432 0.004930 0.037475 33O 1f+2 0.019575 -0.023057 0.074531 -0.024381 -0.125479 0.106993 33O 1f-2 -0.000677 -0.045220 -0.092399 0.075023 0.034420 -0.105315 33O 1f+3 0.013574 -0.018645 -0.002217 -0.010678 -0.060255 0.005603 33O 1f-3 -0.010762 -0.023747 -0.045523 0.059354 0.013574 -0.037523 34O 1s -0.000229 0.000891 -0.003171 0.004291 -0.002213 0.001108 34O 2s -0.001070 0.002884 -0.010542 0.013468 -0.007531 0.003356 34O 3s 0.018166 -0.041323 0.140551 -0.154654 0.081648 -0.038790 34O 4s -0.000678 0.091574 -0.187618 0.044551 0.117929 0.030608 34O 5s -0.425929 0.230378 -1.175503 1.295728 -1.270376 0.227345 34O 1pz -0.004756 0.014522 0.011318 -0.010419 -0.001572 -0.011752 34O 1px 0.012215 -0.011264 0.079554 -0.102359 0.086583 -0.023933 34O 1py -0.002487 0.005777 -0.037468 0.050125 -0.016050 -0.000913 34O 2pz 0.023291 -0.061621 -0.067076 0.076292 -0.010033 0.059640 34O 2px -0.078312 0.073953 -0.362256 0.367633 -0.291563 0.089319 34O 2py 0.021163 -0.039815 0.188072 -0.240927 0.074257 -0.005799 34O 3pz 0.018833 -0.081122 -0.047052 0.083360 0.060052 0.178662 34O 3px -0.125154 0.016288 -0.615632 0.825454 -0.441915 0.195314 34O 3py 0.006792 0.041240 0.229337 -0.427154 0.004014 0.019947 34O 1dz2 -0.050212 0.017125 -0.173870 0.277738 -0.213122 0.097221 34O 1dxz -0.009139 0.115982 0.066282 -0.050076 0.044394 -0.091789 34O 1dyz -0.011980 -0.010803 -0.017948 0.090767 -0.118272 0.026210 34O 1dx2y2 -0.012828 0.033795 0.231599 -0.308019 0.205492 -0.080437 34O 1dxy -0.087986 0.026962 -0.219683 0.363879 -0.212660 -0.021432 34O 2dz2 0.060859 -0.026902 0.235682 -0.346062 0.260627 -0.112541 34O 2dxz 0.025637 -0.126984 -0.123453 0.093777 -0.041685 0.139093 34O 2dyz 0.009333 0.011646 0.030193 -0.088503 0.119945 -0.036941 34O 2dx2y2 -0.014350 -0.027709 -0.283448 0.376123 -0.280531 0.106627 34O 2dxy 0.090899 -0.069296 0.338599 -0.496518 0.244147 0.012553 34O 1f0 -0.019898 0.022270 0.038139 -0.000871 -0.023444 -0.042102 34O 1f+1 0.012518 0.001960 0.088372 -0.122933 0.094734 -0.044058 34O 1f-1 0.002282 0.008974 -0.047861 0.060640 -0.020418 0.008637 34O 1f+2 0.020066 -0.029215 -0.052884 0.038579 0.005625 0.055221 34O 1f-2 -0.012934 0.001646 0.024413 -0.012599 -0.002502 -0.027901 34O 1f+3 0.021585 0.034258 0.030249 -0.074409 0.112061 -0.034631 34O 1f-3 -0.015977 0.055713 -0.148006 0.190793 -0.059071 0.000307 35O 1s -0.001368 0.001506 -0.003825 0.001317 0.001849 -0.003753 35O 2s -0.004526 0.004932 -0.012579 0.004084 0.006302 -0.011555 35O 3s 0.045899 -0.049033 0.161800 -0.044840 -0.062653 0.130457 35O 4s 0.000967 -0.055068 -0.190545 0.014834 -0.169999 -0.037064 35O 5s -0.318969 0.542644 -1.328178 0.299445 1.198444 -0.978021 35O 1pz -0.011269 0.009829 0.029907 0.003425 -0.010386 0.037478 35O 1px 0.036428 -0.051915 0.084256 -0.022219 -0.074738 0.072277 35O 1py 0.015423 -0.007772 0.047800 -0.024628 -0.036374 0.045996 35O 2pz 0.049535 -0.031448 -0.158961 -0.003576 0.056838 -0.195274 35O 2px -0.099397 0.168557 -0.358058 0.065412 0.231776 -0.239025 35O 2py -0.042845 0.018369 -0.222480 0.101997 0.128545 -0.192921 35O 3pz 0.007143 -0.094611 -0.186967 -0.023044 -0.033733 -0.389844 35O 3px -0.051748 0.105761 -0.605604 0.117112 0.391759 -0.666598 35O 3py -0.001112 -0.077013 -0.353692 0.257863 0.125863 -0.450290 35O 1dz2 -0.060384 0.010203 -0.159441 0.030369 0.088368 -0.166647 35O 1dxz 0.018324 -0.041320 0.177823 0.019900 -0.119314 0.202398 35O 1dyz 0.047940 -0.106434 0.098767 -0.008061 -0.184513 0.163468 35O 1dx2y2 0.012049 -0.092299 0.173278 0.003327 -0.153727 0.200714 35O 1dxy 0.101798 -0.069321 0.297784 -0.191140 -0.279284 0.332829 35O 2dz2 0.069512 -0.039570 0.200058 -0.048289 -0.127666 0.201967 35O 2dxz 0.001778 0.014770 -0.279032 -0.021011 0.132537 -0.315264 35O 2dyz -0.039979 0.087071 -0.155403 0.014173 0.190974 -0.213243 35O 2dx2y2 -0.030881 0.145472 -0.198723 -0.023231 0.199188 -0.215308 35O 2dxy -0.114184 0.073167 -0.403477 0.243735 0.332370 -0.425986 35O 1f0 -0.015376 0.007910 0.088620 0.012664 -0.013489 0.096516 35O 1f+1 0.040101 -0.060492 0.045261 -0.016956 -0.077841 0.048384 35O 1f-1 0.015062 -0.021386 0.041713 -0.036322 -0.052896 0.057683 35O 1f+2 0.010797 -0.005117 -0.065856 -0.011472 0.014877 -0.074354 35O 1f-2 0.006308 -0.014718 -0.099403 0.000673 0.012717 -0.103891 35O 1f+3 0.012660 -0.074645 -0.014026 0.056799 -0.046848 -0.000822 35O 1f-3 0.054640 -0.048956 0.129933 -0.074789 -0.109935 0.133267 726 727 728 729 730 731 7.05589 7.07647 7.10893 7.11266 7.12876 7.16138 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s -0.000001 0.000014 -0.000076 -0.000002 0.000022 0.001924 0Rh 2s 0.000086 -0.000083 0.000543 -0.000013 -0.000101 -0.008680 0Rh 3s 0.000042 0.000035 -0.000146 -0.000017 0.000074 0.006685 0Rh 4s -0.000513 0.000565 -0.003671 0.000100 0.000717 0.062527 0Rh 5s 0.001604 -0.001641 0.011125 -0.000676 -0.002004 -0.179554 0Rh 6s -0.002657 0.001988 -0.015441 0.002174 0.001846 0.189042 0Rh 7s 0.007265 -0.000513 0.048706 -0.024183 0.012104 0.203861 0Rh 8s 0.002541 -0.018066 -0.006258 0.135288 -0.001614 0.233810 0Rh 1pz 0.000691 -0.000707 -0.004954 -0.003049 0.000172 0.007280 0Rh 1px 0.000563 -0.000369 -0.003249 -0.000992 -0.000404 -0.018620 0Rh 1py -0.001426 0.001211 0.001618 -0.005291 0.000795 -0.002874 0Rh 2pz -0.002997 0.003149 0.020582 0.012753 -0.000735 -0.031144 0Rh 2px -0.002434 0.001596 0.013611 0.004258 0.001735 0.079677 0Rh 2py 0.006130 -0.005111 -0.006636 0.021967 -0.003431 0.012279 0Rh 3pz 0.011871 -0.013754 -0.064327 -0.041342 0.002666 0.114445 0Rh 3px 0.009451 -0.006095 -0.044527 -0.015947 -0.006511 -0.293221 0Rh 3py -0.023019 0.017454 0.019095 -0.068418 0.013109 -0.044895 0Rh 4pz -0.021387 0.025280 0.078016 0.053010 -0.004061 -0.180831 0Rh 4px -0.016140 0.009361 0.057734 0.026064 0.010611 0.465591 0Rh 4py 0.037132 -0.024464 -0.019290 0.082611 -0.021146 0.071016 0Rh 5pz 0.026758 -0.015467 -0.052843 -0.033932 0.003111 0.152958 0Rh 5px 0.015761 -0.003490 -0.036992 -0.022956 -0.009308 -0.403948 0Rh 5py -0.030240 0.016694 0.011417 -0.058233 0.013517 -0.063336 0Rh 6pz -0.288541 -0.083491 0.322416 0.148035 0.022894 -0.170122 0Rh 6px -0.108539 -0.030523 0.151092 0.069047 0.014918 0.560282 0Rh 6py 0.132745 -0.037633 -0.132117 0.417875 0.059277 0.082611 0Rh 1dz2 -0.000406 -0.000571 0.002467 0.000925 0.009112 -0.003093 0Rh 1dxz -0.003377 -0.001838 -0.003818 -0.002557 0.000216 -0.004129 0Rh 1dyz -0.009214 -0.006295 -0.000749 0.000482 0.024779 -0.001184 0Rh 1dx2y2 -0.002701 -0.001535 -0.001782 0.001468 0.004038 0.005795 0Rh 1dxy -0.002441 -0.001383 0.001421 -0.004155 0.009993 0.001231 0Rh 2dz2 0.000695 -0.001534 -0.002054 -0.000948 -0.007579 0.001731 0Rh 2dxz 0.001769 0.001325 0.002921 0.002239 0.000213 0.002232 0Rh 2dyz 0.006084 -0.000630 0.000402 -0.001304 -0.019943 0.000927 0Rh 2dx2y2 0.001547 0.000445 0.001464 -0.001535 -0.003165 -0.003000 0Rh 2dxy 0.001944 -0.000975 -0.001204 0.002763 -0.007884 -0.000504 0Rh 3dz2 -0.001156 0.011747 -0.004521 -0.000731 -0.015812 0.010126 0Rh 3dxz 0.011412 0.004276 0.008451 0.004133 -0.002540 0.013998 0Rh 3dyz 0.024529 0.042366 0.002630 0.003975 -0.046762 0.002428 0Rh 3dx2y2 0.008429 0.007142 0.003370 -0.001027 -0.008104 -0.020327 0Rh 3dxy 0.004754 0.013748 -0.002527 0.011471 -0.019718 -0.005043 0Rh 4dz2 0.005571 -0.044147 0.008816 -0.000763 0.016346 -0.025165 0Rh 4dxz -0.027852 -0.007403 -0.020197 -0.007376 0.009334 -0.035935 0Rh 4dyz -0.052914 -0.137259 -0.008819 -0.017706 0.060624 -0.003776 0Rh 4dx2y2 -0.019818 -0.021068 -0.007012 -0.001203 0.011910 0.052826 0Rh 4dxy -0.007785 -0.047139 0.005316 -0.031429 0.027670 0.013902 0Rh 5dz2 -0.012427 0.171884 -0.029435 0.008140 0.052880 0.022094 0Rh 5dxz 0.038442 -0.009414 0.079946 0.030890 -0.027476 0.039874 0Rh 5dyz 0.064216 0.440937 0.048876 0.070926 0.092714 -0.008266 0Rh 5dx2y2 0.026779 0.061499 0.028484 0.003810 0.008837 -0.059066 0Rh 5dxy 0.004610 0.155950 -0.025029 0.127302 0.029705 -0.015162 0Rh 1f0 0.001559 0.003186 -0.003816 0.010389 -0.003982 -0.001459 0Rh 1f+1 0.004109 -0.002404 0.009769 0.005575 0.007797 0.001667 0Rh 1f-1 0.001064 -0.001585 0.006332 0.018453 -0.006661 0.001996 0Rh 1f+2 -0.004284 0.005472 -0.018956 -0.004860 -0.004979 0.001958 0Rh 1f-2 -0.005566 -0.006632 -0.010687 0.012530 0.018021 0.001393 0Rh 1f+3 0.004076 -0.000381 0.014034 -0.007372 -0.002522 0.002686 0Rh 1f-3 0.000146 0.002551 -0.005498 0.012982 -0.009285 0.002332 1Rh 1s -0.000006 -0.000012 0.000072 -0.000002 0.000020 0.001927 1Rh 2s 0.000115 0.000080 -0.000532 0.000030 -0.000086 -0.008704 1Rh 3s 0.000033 -0.000027 0.000130 0.000004 0.000070 0.006693 1Rh 4s -0.000708 -0.000536 0.003580 -0.000223 0.000620 0.062692 1Rh 5s 0.002193 0.001556 -0.010814 0.001029 -0.001702 -0.180056 1Rh 6s -0.003470 -0.001874 0.014847 -0.002549 0.001393 0.189746 1Rh 7s 0.008420 -0.000025 -0.043292 0.023915 0.012922 0.202250 1Rh 8s 0.000212 0.016727 0.004613 -0.135937 -0.004697 0.234615 1Rh 1pz -0.000650 -0.000750 -0.005048 -0.003137 -0.000194 -0.007263 1Rh 1px -0.000566 -0.000389 -0.003121 -0.001059 0.000429 0.018595 1Rh 1py 0.001453 0.001070 0.001607 -0.005321 -0.001025 0.002947 1Rh 2pz 0.002819 0.003337 0.020986 0.013131 0.000827 0.031075 1Rh 2px 0.002446 0.001685 0.013065 0.004545 -0.001842 -0.079567 1Rh 2py -0.006250 -0.004507 -0.006586 0.022097 0.004412 -0.012594 1Rh 3pz -0.011185 -0.014472 -0.065828 -0.042757 -0.003010 -0.114210 1Rh 3px -0.009477 -0.006436 -0.042532 -0.017008 0.006907 0.292816 1Rh 3py 0.023579 0.015192 0.018876 -0.068884 -0.016679 0.046084 1Rh 4pz 0.020260 0.026467 0.080418 0.055262 0.004607 0.180500 1Rh 4px 0.016124 0.009969 0.054602 0.027744 -0.011243 -0.464960 1Rh 4py -0.038236 -0.020845 -0.018864 0.083317 0.026621 -0.072910 1Rh 5pz -0.025965 -0.016518 -0.054854 -0.035570 -0.003520 -0.152760 1Rh 5px -0.015542 -0.004200 -0.034245 -0.024280 0.009860 0.403452 1Rh 5py 0.031123 0.013913 0.010968 -0.058739 -0.017527 0.064685 1Rh 6pz 0.288781 -0.076624 0.326872 0.151587 -0.021828 0.170046 1Rh 6px 0.105419 -0.028692 0.146103 0.071338 -0.016558 -0.559278 1Rh 6py -0.133916 -0.029892 -0.127902 0.415806 -0.054566 -0.083245 1Rh 1dz2 -0.000282 0.000478 -0.002443 -0.000938 0.009123 -0.003116 1Rh 1dxz -0.003355 0.001787 0.003826 0.002587 0.000228 -0.004112 1Rh 1dyz -0.009274 0.006140 0.000750 -0.000536 0.024796 -0.001200 1Rh 1dx2y2 -0.002636 0.001403 0.001759 -0.001490 0.004005 0.005810 1Rh 1dxy -0.002493 0.001429 -0.001361 0.004154 0.010037 0.001216 1Rh 2dz2 0.000619 0.001593 0.002031 0.000962 -0.007581 0.001743 1Rh 2dxz 0.001755 -0.001304 -0.002936 -0.002263 0.000202 0.002224 1Rh 2dyz 0.006104 0.000740 -0.000411 0.001340 -0.019944 0.000931 1Rh 2dx2y2 0.001520 -0.000367 -0.001438 0.001545 -0.003136 -0.003012 1Rh 2dxy 0.001968 0.000946 0.001172 -0.002757 -0.007915 -0.000495 1Rh 3dz2 -0.001522 -0.011484 0.004485 0.000733 -0.015870 0.010205 1Rh 3dxz 0.011352 -0.004072 -0.008425 -0.004199 -0.002558 0.013943 1Rh 3dyz 0.024797 -0.041988 -0.002592 -0.003835 -0.046863 0.002505 1Rh 3dx2y2 0.008168 -0.006747 -0.003363 0.001115 -0.008049 -0.020352 1Rh 3dxy 0.004937 -0.013872 0.002327 -0.011498 -0.019833 -0.004998 1Rh 4dz2 0.006391 0.043552 -0.008757 0.000834 0.016534 -0.025370 1Rh 4dxz -0.027710 0.006860 0.020111 0.007487 0.009355 -0.035798 1Rh 4dyz -0.053680 0.136507 0.008651 0.017438 0.060933 -0.004012 1Rh 4dx2y2 -0.019129 0.020143 0.007014 0.000971 0.011831 0.052862 1Rh 4dxy -0.008208 0.047409 -0.004835 0.031544 0.027966 0.013794 1Rh 5dz2 -0.013141 -0.171059 0.029405 -0.008447 0.052295 0.022434 1Rh 5dxz 0.038163 0.010288 -0.079931 -0.030844 -0.027486 0.039647 1Rh 5dyz 0.066193 -0.440283 -0.048260 -0.070827 0.092108 -0.007538 1Rh 5dx2y2 0.025569 -0.060092 -0.028265 -0.003405 0.008974 -0.058867 1Rh 5dxy 0.004739 -0.156265 0.024310 -0.127662 0.028719 -0.015029 1Rh 1f0 -0.001521 0.003119 -0.003861 0.010399 0.003867 0.001540 1Rh 1f+1 -0.004083 -0.002482 0.009749 0.005595 -0.007830 -0.001659 1Rh 1f-1 -0.000886 -0.001738 0.006248 0.018336 0.006467 -0.001900 1Rh 1f+2 0.004289 0.005524 -0.018831 -0.004790 0.004953 -0.001919 1Rh 1f-2 0.005690 -0.006602 -0.010727 0.012585 -0.018201 -0.001254 1Rh 1f+3 -0.004101 -0.000373 0.014084 -0.007394 0.002593 -0.002774 1Rh 1f-3 -0.000124 0.002548 -0.005486 0.012982 0.009219 -0.002276 2C 1s 0.000447 -0.000250 -0.001368 -0.002147 -0.000362 0.003520 2C 2s 0.000629 -0.000172 -0.000652 -0.001142 -0.000967 0.002951 2C 3s -0.020255 0.019594 -0.103167 -0.163686 0.069268 0.130700 2C 4s 0.002597 -0.072981 0.559698 0.881811 -0.056308 -1.018760 2C 5s -0.154936 -0.135982 0.092686 0.154963 1.090148 -0.101171 2C 1pz -0.003587 0.003682 -0.007225 -0.015255 0.005115 0.003890 2C 1px -0.003603 0.003620 -0.001480 -0.006882 0.003541 0.000783 2C 1py -0.002803 0.003093 -0.008885 -0.007032 0.003752 0.001608 2C 2pz -0.029243 -0.048163 0.341696 0.560779 -0.022681 -0.637190 2C 2px 0.026251 -0.081494 0.081392 0.152351 -0.028258 -0.156214 2C 2py -0.009083 -0.064263 0.268678 0.367023 -0.041772 -0.420615 2C 3pz -0.042484 -0.017729 0.014709 0.030243 0.298596 -0.056873 2C 3px 0.022955 -0.036057 -0.038904 -0.038213 0.031774 0.080631 2C 3py -0.018038 -0.019192 0.025935 0.024184 0.191425 -0.059886 2C 1dz2 -0.000194 0.009944 0.018202 0.029808 -0.011527 -0.026585 2C 1dxz -0.001836 -0.027231 0.012155 0.015388 -0.011157 -0.017431 2C 1dyz -0.000872 -0.002010 0.022639 0.036160 -0.009277 -0.036739 2C 1dx2y2 0.001396 0.003281 -0.012023 -0.020541 0.008382 0.018588 2C 1dxy -0.000278 -0.018282 0.001804 0.000443 0.000011 -0.005871 2C 2dz2 -0.014149 0.020066 0.058947 0.131961 0.006209 -0.146120 2C 2dxz 0.003167 -0.070673 -0.010057 0.006022 0.038719 -0.027143 2C 2dyz -0.002627 -0.020851 0.149103 0.205792 -0.038523 -0.232074 2C 2dx2y2 0.019002 0.000166 -0.028152 -0.008097 -0.057356 0.063558 2C 2dxy 0.009800 -0.052655 0.016752 0.032637 -0.012669 -0.026319 2C 1f0 -0.002500 0.032732 0.002359 0.022263 0.003095 -0.018964 2C 1f+1 -0.008756 -0.025682 0.006918 0.016532 0.020081 -0.038774 2C 1f-1 0.001130 0.007892 0.018499 0.029038 -0.004971 -0.028398 2C 1f+2 0.004826 -0.019301 -0.024234 -0.028550 -0.007002 0.041676 2C 1f-2 0.001988 -0.039423 0.008274 0.011153 -0.005775 -0.015974 2C 1f+3 0.000801 -0.022832 -0.004783 -0.005611 0.003420 0.003235 2C 1f-3 -0.006308 0.008932 0.012482 0.009815 0.016809 -0.027699 3C 1s -0.000679 -0.000123 -0.002036 0.001204 0.000470 0.003411 3C 2s -0.000987 -0.000142 -0.001036 0.000394 0.001079 0.002785 3C 3s 0.018612 -0.008557 -0.166620 0.106757 -0.065407 0.135864 3C 4s 0.008800 0.089753 0.880886 -0.550462 0.022372 -1.012556 3C 5s 0.219195 -0.079706 0.095979 -0.084214 -1.095369 -0.065594 3C 1pz 0.003717 0.000497 -0.003727 0.008660 -0.002050 0.000790 3C 1px -0.003717 -0.002835 -0.008093 0.003240 -0.003306 0.003488 3C 1py -0.004961 -0.000148 0.016678 -0.008748 0.005718 -0.004947 3C 2pz -0.017720 0.009588 0.301118 -0.238220 0.024418 -0.342634 3C 2px 0.072349 0.095132 0.252513 -0.134399 0.018716 -0.271109 3C 2py 0.003467 -0.042665 -0.563117 0.346021 0.001069 0.630000 3C 3pz 0.034689 -0.003400 0.039864 -0.047090 -0.189550 -0.099519 3C 3px 0.018804 0.010332 -0.018975 0.029077 -0.084999 0.029748 3C 3py -0.040533 0.018569 -0.005144 0.001844 0.290168 0.019243 3C 1dz2 0.002002 -0.008094 -0.001649 0.001573 -0.000789 0.003054 3C 1dxz -0.001525 0.015148 0.017568 -0.009595 0.006119 -0.016129 3C 1dyz -0.002535 0.009828 -0.028695 0.018133 -0.003353 0.031030 3C 1dx2y2 -0.002572 0.011419 -0.034334 0.022690 -0.015283 0.031064 3C 1dxy 0.002292 -0.023301 -0.024233 0.014482 -0.008724 0.022126 3C 2dz2 -0.000108 -0.021123 -0.053344 -0.001168 -0.018965 0.026827 3C 2dxz -0.000959 0.043350 0.018634 -0.020932 -0.042723 -0.054228 3C 2dyz 0.002041 0.008463 -0.196150 0.150364 -0.034277 0.215062 3C 2dx2y2 0.009769 0.022970 -0.096119 0.054636 0.033919 0.125710 3C 2dxy -0.023221 -0.070936 -0.092485 0.038169 0.006988 0.104696 3C 1f0 0.004171 -0.005396 -0.009671 0.002523 -0.008995 0.000398 3C 1f+1 0.009185 -0.002851 0.007094 -0.010597 -0.012503 -0.021710 3C 1f-1 0.000233 0.014497 0.006155 0.009306 0.004233 0.000045 3C 1f+2 0.003346 0.027816 -0.026055 0.023365 -0.011141 0.025534 3C 1f-2 -0.004270 -0.021170 -0.026554 0.017518 0.007532 0.039351 3C 1f+3 0.006442 0.036134 0.021389 -0.007113 -0.016783 -0.035264 3C 1f-3 -0.009179 0.035839 -0.019555 0.010697 0.017863 0.034090 4C 1s 0.003822 0.003572 -0.018404 -0.029762 0.012955 0.029443 4C 2s 0.006891 0.010652 -0.047761 -0.077253 0.040595 0.070301 4C 3s 0.020576 -0.107929 0.340952 0.548209 -0.310255 -0.441478 4C 4s -0.379393 0.023065 0.655807 1.093013 -0.631256 -1.349710 4C 5s -0.073649 -0.005727 0.406738 0.679423 -0.505644 -0.571289 4C 1pz -0.004143 -0.061489 0.073348 0.117329 -0.077797 -0.102332 4C 1px -0.028921 0.126859 0.012278 0.021948 0.005824 -0.012805 4C 1py -0.013848 0.010754 0.048169 0.082225 -0.045359 -0.067792 4C 2pz -0.062185 -0.240664 0.749562 1.250258 -0.590843 -1.193702 4C 2px -0.004890 0.350313 0.151969 0.196471 -0.032825 -0.208018 4C 2py -0.033836 -0.017157 0.538885 0.789314 -0.363020 -0.789217 4C 3pz -0.120848 -0.113582 0.133927 0.188536 0.933962 -0.204136 4C 3px -0.090582 0.136739 0.044100 -0.041988 0.231835 -0.062179 4C 3py -0.106995 -0.028502 0.039120 0.127696 0.655740 -0.122444 4C 1dz2 0.022652 -0.052112 -0.030627 -0.058715 -0.008871 0.067899 4C 1dxz 0.016121 0.102106 -0.066475 -0.106850 0.047727 0.122970 4C 1dyz 0.005706 -0.010166 0.020046 0.036922 -0.049870 -0.018767 4C 1dx2y2 -0.038195 -0.006576 0.109468 0.168640 -0.053636 -0.183728 4C 1dxy -0.011785 0.064473 0.051272 0.085715 -0.030042 -0.081734 4C 2dz2 0.056287 -0.002719 -0.118459 -0.092601 -0.226814 0.321799 4C 2dxz 0.121716 -0.022992 -0.114028 -0.127672 -0.167314 0.343001 4C 2dyz 0.027270 -0.002069 -0.050658 -0.127357 -0.176634 0.300072 4C 2dx2y2 -0.135457 0.017497 0.059733 0.162688 0.278989 -0.404243 4C 2dxy 0.011256 0.005532 -0.000680 0.010747 0.066983 -0.048194 4C 1f0 0.005182 -0.091360 0.021604 0.000109 -0.020242 -0.021572 4C 1f+1 0.007717 0.075701 0.034815 0.032479 -0.013015 -0.019369 4C 1f-1 0.001159 -0.045211 0.059079 0.094380 -0.067782 -0.066764 4C 1f+2 -0.013203 0.069768 -0.036842 -0.041253 0.041748 0.041624 4C 1f-2 0.017070 0.098505 0.004738 0.062483 -0.018395 -0.018042 4C 1f+3 0.011604 0.082896 0.025848 0.016539 -0.003362 -0.006002 4C 1f-3 0.003722 0.007724 -0.017499 0.028127 -0.008619 -0.008917 5C 1s -0.003927 -0.003318 -0.029790 0.017162 -0.011763 0.029103 5C 2s -0.007189 -0.006739 -0.077947 0.045560 -0.037740 0.070059 5C 3s -0.005835 0.011900 0.570755 -0.347526 0.292508 -0.449700 5C 4s 0.330996 0.246774 1.010725 -0.527248 0.573508 -1.310054 5C 5s 0.031350 0.098280 0.659750 -0.403334 0.491106 -0.571192 5C 1pz 0.025403 0.045051 0.080193 -0.033628 0.042473 -0.063269 5C 1px -0.047331 -0.124290 0.030735 -0.051894 0.022409 -0.036436 5C 1py -0.023305 -0.030821 -0.121132 0.064357 -0.067239 0.099825 5C 2pz 0.063598 0.202608 0.741832 -0.402111 0.310355 -0.706716 5C 2px -0.119167 -0.302941 0.337343 -0.469418 0.186555 -0.417850 5C 2py -0.059271 -0.195381 -1.241678 0.688546 -0.521914 1.184568 5C 3pz 0.140998 0.021275 0.111062 0.012896 -0.557029 -0.075805 5C 3px -0.075739 -0.126333 0.015729 -0.129432 -0.385448 -0.060951 5C 3py -0.180584 0.001825 -0.121863 0.115823 0.946319 0.174022 5C 1dz2 -0.011454 0.018632 -0.096467 0.068287 -0.040069 0.103546 5C 1dxz -0.031676 -0.064950 -0.108561 0.051130 -0.025940 0.113332 5C 1dyz -0.005745 -0.048707 -0.082077 0.034719 -0.060759 0.062948 5C 1dx2y2 0.028958 -0.029945 0.145739 -0.091035 0.027804 -0.166292 5C 1dxy 0.025793 0.096866 0.047022 -0.002589 -0.001032 -0.047654 5C 2dz2 -0.070393 -0.017005 -0.035527 -0.042849 0.089271 0.090451 5C 2dxz -0.045627 -0.038758 -0.110438 0.032700 0.213855 0.284418 5C 2dyz 0.042623 0.014303 0.073874 -0.016998 -0.123898 -0.172870 5C 2dx2y2 0.171128 0.084058 0.141388 -0.120224 -0.347779 -0.471222 5C 2dxy -0.017052 0.019895 0.110218 -0.064568 -0.160460 -0.265565 5C 1f0 -0.001381 0.029313 -0.052809 0.041743 -0.033610 0.041328 5C 1f+1 -0.002144 -0.024375 0.020246 0.025264 0.004657 -0.004497 5C 1f-1 0.014958 -0.046606 -0.005761 0.007160 -0.008385 0.001361 5C 1f+2 0.034198 -0.096435 -0.070530 0.021147 -0.050032 0.035800 5C 1f-2 -0.007690 0.043978 -0.061406 0.045204 -0.037564 0.045314 5C 1f+3 0.024233 -0.101210 0.068657 -0.042258 0.030307 -0.053199 5C 1f-3 0.035967 -0.097950 -0.016962 0.039999 -0.026174 0.018107 6C 1s -0.004121 0.003277 0.029785 -0.017120 -0.011989 0.029061 6C 2s -0.007740 0.006684 0.077910 -0.045434 -0.038241 0.069912 6C 3s 0.000124 -0.012735 -0.571030 0.346692 0.294783 -0.447917 6C 4s 0.328246 -0.240439 -1.008226 0.525372 0.584783 -1.311030 6C 5s 0.032799 -0.095046 -0.658335 0.401355 0.494495 -0.568229 6C 1pz -0.026003 0.045008 0.080051 -0.033604 -0.042935 0.063007 6C 1px 0.047021 -0.124309 0.030811 -0.051299 -0.022873 0.036635 6C 1py 0.024274 -0.030683 -0.121004 0.064229 0.068056 -0.099584 6C 2pz -0.067224 0.204036 0.742005 -0.403111 -0.313521 0.704710 6C 2px 0.117571 -0.308170 0.336441 -0.464183 -0.188333 0.417769 6C 2py 0.064748 -0.196225 -1.241821 0.688351 0.527502 -1.181689 6C 3pz -0.141239 0.021197 0.112556 0.008313 0.557295 0.076920 6C 3px 0.075372 -0.129803 0.015332 -0.128919 0.384297 0.062525 6C 3py 0.179900 0.003854 -0.123919 0.122120 -0.944816 -0.175433 6C 1dz2 -0.011824 -0.018829 0.096361 -0.068034 -0.041021 0.103467 6C 1dxz -0.032633 0.064646 0.108640 -0.051151 -0.027180 0.113353 6C 1dyz -0.006193 0.048834 0.081975 -0.034617 -0.061040 0.062659 6C 1dx2y2 0.029675 0.030557 -0.145749 0.090711 0.029551 -0.166387 6C 1dxy 0.026027 -0.096739 -0.046930 0.002624 -0.000421 -0.047471 6C 2dz2 -0.068881 0.016434 0.035885 0.042543 0.088286 0.090825 6C 2dxz -0.045924 0.036267 0.111743 -0.032957 0.211757 0.285551 6C 2dyz 0.043190 -0.014268 -0.075433 0.017703 -0.123493 -0.172882 6C 2dx2y2 0.170435 -0.081562 -0.143009 0.121532 -0.344609 -0.471865 6C 2dxy -0.017061 -0.018731 -0.111701 0.064066 -0.158273 -0.266216 6C 1f0 0.001418 0.028681 -0.052885 0.042082 0.033779 -0.041182 6C 1f+1 0.002109 -0.023678 0.020497 0.025226 -0.004690 0.004523 6C 1f-1 -0.014605 -0.046253 -0.005637 0.006821 0.008285 -0.001256 6C 1f+2 -0.033432 -0.095860 -0.070211 0.020102 0.049990 -0.035429 6C 1f-2 0.008225 0.043554 -0.061517 0.045353 0.037710 -0.045167 6C 1f+3 -0.024916 -0.100316 0.068986 -0.043233 -0.030590 0.053127 6C 1f-3 -0.034890 -0.097181 -0.016763 0.038938 0.026144 -0.017722 7C 1s 0.004012 -0.003488 0.018470 0.029632 0.013124 0.029440 7C 2s 0.007478 -0.010472 0.047920 0.076915 0.040962 0.070316 7C 3s 0.013211 0.107676 -0.342097 -0.546413 -0.311895 -0.442349 7C 4s -0.371322 -0.029124 -0.658831 -1.084948 -0.640121 -1.346653 7C 5s -0.072339 0.003874 -0.407583 -0.676898 -0.508813 -0.573269 7C 1pz 0.005511 -0.061428 0.073625 0.116624 0.078528 0.102341 7C 1px 0.028223 0.128058 0.012293 0.021742 -0.006094 0.012459 7C 1py 0.014459 0.011159 0.048503 0.081917 0.045791 0.067849 7C 2pz 0.067699 -0.241552 0.748340 1.243101 0.593693 1.192360 7C 2px 0.004165 0.358878 0.153498 0.197867 0.029907 0.205580 7C 2py 0.036657 -0.014912 0.541874 0.790926 0.366623 0.792737 7C 3pz 0.120184 -0.113369 0.129291 0.191684 -0.928822 0.201676 7C 3px 0.087893 0.143627 0.045635 -0.039626 -0.232225 0.061657 7C 3py 0.106308 -0.026705 0.037534 0.131593 -0.655784 0.122565 7C 1dz2 0.022704 0.052576 0.030793 0.058623 -0.008078 0.067930 7C 1dxz 0.016939 -0.101915 0.066875 0.106464 0.048862 0.123074 7C 1dyz 0.005390 0.010390 -0.020236 -0.036880 -0.049849 -0.018985 7C 1dx2y2 -0.039049 0.005993 -0.109810 -0.167776 -0.054832 -0.183518 7C 1dxy -0.011662 -0.065223 -0.051174 -0.085147 -0.030353 -0.081449 7C 2dz2 0.055721 0.002850 0.117908 0.090732 -0.224983 0.319331 7C 2dxz 0.119897 0.026457 0.116011 0.127712 -0.165125 0.341868 7C 2dyz 0.028009 0.002393 0.052282 0.127687 -0.175696 0.301001 7C 2dx2y2 -0.134028 -0.019282 -0.061185 -0.163190 0.276778 -0.404793 7C 2dxy 0.012471 -0.004630 0.002274 -0.009367 0.066469 -0.047284 7C 1f0 -0.004468 -0.089646 0.022220 0.000208 0.019560 0.021209 7C 1f+1 -0.007096 0.074540 0.033923 0.031112 0.013005 0.018968 7C 1f-1 -0.000088 -0.045078 0.059341 0.094279 0.067727 0.066950 7C 1f+2 0.011999 0.068808 -0.038040 -0.042246 -0.041978 -0.042292 7C 1f-2 -0.017041 0.097111 0.003675 0.061381 0.018605 0.017932 7C 1f+3 -0.012202 0.082024 0.024775 0.015596 0.003734 0.005810 7C 1f-3 -0.002970 0.007225 -0.017378 0.028049 0.008908 0.009297 8C 1s -0.000699 0.000109 0.002046 -0.001201 0.000450 0.003411 8C 2s -0.001003 0.000127 0.001047 -0.000392 0.001059 0.002791 8C 3s 0.017396 0.008896 0.166746 -0.106841 -0.065546 0.135251 8C 4s 0.014761 -0.089404 -0.883313 0.551315 0.025545 -1.010422 8C 5s 0.219450 0.080248 -0.098908 0.091335 -1.094647 -0.068747 8C 1pz -0.003664 0.000443 -0.003718 0.008685 0.002021 -0.000788 8C 1px 0.003691 -0.002963 -0.008173 0.003419 0.003340 -0.003470 8C 1py 0.004857 -0.000036 0.016647 -0.008736 -0.005627 0.004850 8C 2pz 0.015603 0.009512 0.301491 -0.237969 -0.024945 0.341982 8C 2px -0.073343 0.095954 0.254035 -0.136349 -0.020190 0.271211 8C 2py -0.000228 -0.042408 -0.564770 0.345917 0.001588 -0.628576 8C 3pz -0.034437 -0.004195 0.040039 -0.047768 0.188222 0.099497 8C 3px -0.018512 0.010782 -0.019407 0.028772 0.085021 -0.031243 8C 3py 0.040866 0.018831 -0.006149 0.003976 -0.290482 -0.021091 8C 1dz2 0.001958 0.008030 0.001646 -0.001538 -0.000772 0.003063 8C 1dxz -0.001336 -0.015033 -0.017585 0.009469 0.006189 -0.016078 8C 1dyz -0.002704 -0.009812 0.028831 -0.018234 -0.003572 0.030978 8C 1dx2y2 -0.002771 -0.011314 0.034348 -0.022688 -0.015379 0.030978 8C 1dxy 0.002029 0.023225 0.024226 -0.014349 -0.008792 0.022044 8C 2dz2 -0.000680 0.021284 0.053915 0.000955 -0.019090 0.026954 8C 2dxz -0.000583 -0.043060 -0.018305 0.020548 -0.043064 -0.053730 8C 2dyz 0.000719 -0.008550 0.196935 -0.150497 -0.035958 0.214856 8C 2dx2y2 0.009489 -0.023159 0.096566 -0.054589 0.033643 0.126037 8C 2dxy -0.023373 0.071244 0.092376 -0.038403 0.006954 0.103941 8C 1f0 -0.004168 -0.005630 -0.009549 0.002468 0.008819 -0.000275 8C 1f+1 -0.009234 -0.002985 0.007055 -0.010621 0.012363 0.021650 8C 1f-1 -0.000253 0.014532 0.006086 0.009384 -0.004052 -0.000119 8C 1f+2 -0.003173 0.027778 -0.026005 0.023368 0.011241 -0.025408 8C 1f-2 0.004556 -0.020978 -0.026802 0.017568 -0.007195 -0.039450 8C 1f+3 -0.006673 0.035793 0.021448 -0.007047 0.016629 0.035208 8C 1f-3 0.009161 0.035973 -0.019868 0.010888 -0.017317 -0.034267 9C 1s 0.000465 0.000257 0.001370 0.002134 -0.000343 0.003513 9C 2s 0.000643 0.000176 0.000662 0.001124 -0.000944 0.002940 9C 3s -0.019128 -0.019800 0.102843 0.163606 0.069227 0.131107 9C 4s -0.002476 0.072726 -0.559347 -0.880848 -0.058329 -1.019802 9C 5s -0.156375 0.135240 -0.089692 -0.159112 1.086461 -0.097548 9C 1pz 0.003467 0.003703 -0.007126 -0.015251 -0.005022 -0.003900 9C 1px 0.003533 0.003834 -0.001325 -0.006787 -0.003641 -0.000780 9C 1py 0.002770 0.003190 -0.008898 -0.007214 -0.003726 -0.001703 9C 2pz 0.032684 -0.046901 0.341976 0.559242 0.024326 0.635881 9C 2px -0.025055 -0.083534 0.080230 0.151170 0.030033 0.155895 9C 2py 0.011777 -0.064104 0.270209 0.368341 0.041534 0.423750 9C 3pz 0.042563 -0.017158 0.014701 0.032502 -0.297627 0.057934 9C 3px -0.022087 -0.037297 -0.039970 -0.038613 -0.031154 -0.081450 9C 3py 0.017895 -0.019270 0.024234 0.022987 -0.191191 0.056653 9C 1dz2 -0.000416 -0.009900 -0.018012 -0.029435 -0.011397 -0.026462 9C 1dxz -0.002138 0.027017 -0.012311 -0.015315 -0.010971 -0.017406 9C 1dyz -0.001139 0.001995 -0.022770 -0.036218 -0.009549 -0.036850 9C 1dx2y2 0.001547 -0.003281 0.012170 0.020625 0.008631 0.018728 9C 1dxy -0.000356 0.018092 -0.001971 -0.000623 -0.000060 -0.005890 9C 2dz2 -0.014731 -0.020715 -0.059241 -0.131910 0.005591 -0.146134 9C 2dxz 0.002564 0.070924 0.011072 -0.004789 0.039461 -0.026254 9C 2dyz -0.003997 0.020860 -0.149442 -0.205742 -0.039110 -0.232506 9C 2dx2y2 0.018908 0.000455 0.028607 0.008416 -0.057911 0.063562 9C 2dxy 0.009477 0.053358 -0.016606 -0.032635 -0.013582 -0.026009 9C 1f0 0.002454 0.032457 0.002088 0.021939 -0.002918 0.018800 9C 1f+1 0.008905 -0.025170 0.007104 0.016632 -0.019640 0.038686 9C 1f-1 -0.000964 0.008049 0.018328 0.028975 0.004972 0.028360 9C 1f+2 -0.004791 -0.019255 -0.024348 -0.028838 0.006535 -0.041907 9C 1f-2 -0.001584 -0.039547 0.008158 0.010994 0.005464 0.015993 9C 1f+3 -0.000677 -0.023212 -0.004709 -0.005523 -0.003380 -0.003193 9C 1f-3 0.006352 0.008949 0.012429 0.009585 -0.016808 0.027607 10H 1s 0.001400 -0.018203 -0.016309 -0.026522 0.014634 0.020806 10H 2s -0.025839 -0.007215 -0.025068 -0.044215 0.036503 0.028620 10H 3s -0.002599 0.010352 0.012837 0.011161 -0.004109 -0.074575 10H 1pz -0.008233 -0.002047 -0.002785 -0.005419 0.010334 0.000211 10H 1px 0.000274 0.012653 0.007675 0.013478 0.002877 -0.018466 10H 1py -0.004962 -0.000193 -0.001457 -0.005672 0.010166 -0.001562 11H 1s -0.000999 -0.001599 0.005314 0.011672 0.000720 -0.011045 11H 2s 0.000370 0.006875 0.006607 -0.003404 -0.004989 -0.004468 11H 3s 0.015506 0.012280 -0.049476 -0.071203 -0.027709 0.064566 11H 1pz -0.000096 0.001373 -0.013684 -0.019207 0.013713 0.015835 11H 1px -0.001178 0.001272 0.004490 0.007806 -0.002249 -0.007666 11H 1py 0.002457 -0.000490 -0.011698 -0.013140 0.002850 0.018265 12H 1s 0.001334 0.003312 -0.001769 0.001954 0.004637 -0.000344 12H 2s 0.001872 -0.004352 0.015818 0.014085 -0.036927 -0.002778 12H 3s 0.019185 0.020766 -0.033142 -0.052888 -0.013771 0.018805 12H 1pz -0.000082 -0.002496 -0.006477 -0.016186 0.008848 0.012498 12H 1px 0.000498 -0.002393 0.008264 0.011396 -0.011938 -0.005368 12H 1py -0.000243 0.000859 -0.000331 -0.004426 -0.001262 0.006112 13H 1s -0.005018 0.015212 -0.022500 0.016746 -0.013085 0.021523 13H 2s -0.034548 -0.001722 -0.042367 0.012521 -0.018371 0.037113 13H 3s 0.009320 0.027842 0.011433 -0.005529 -0.002705 -0.067807 13H 1pz -0.007311 0.004085 -0.013165 0.004227 -0.006506 0.011921 13H 1px 0.009002 -0.004922 0.004640 -0.002742 -0.009467 -0.014481 13H 1py 0.004145 0.002201 0.003235 0.001568 0.006765 0.000101 14H 1s 0.006073 -0.007031 -0.003110 0.005789 -0.006852 0.002464 14H 2s 0.009017 -0.000419 0.021161 -0.018892 0.032755 -0.004256 14H 3s -0.024952 0.001445 -0.042584 0.029727 0.014956 0.003437 14H 1pz 0.002240 -0.003078 -0.010221 0.004549 -0.005835 0.008561 14H 1px 0.004259 -0.002469 0.010917 -0.007807 0.012088 -0.002880 14H 1py -0.002698 -0.005173 0.008704 -0.003748 0.006091 -0.006250 15H 1s 0.006631 0.001558 0.013814 -0.005108 -0.000861 -0.013597 15H 2s -0.007071 0.000737 -0.007775 -0.007654 -0.009869 -0.000340 15H 3s -0.028249 -0.003473 -0.068719 0.050541 0.038942 0.070963 15H 1pz -0.002909 -0.000870 -0.017174 0.014146 -0.001528 0.022352 15H 1px 0.001269 -0.001664 -0.000794 0.002356 -0.000813 0.002769 15H 1py 0.000476 0.000505 0.018876 -0.012974 0.016764 -0.015350 16H 1s 0.594828 0.545991 0.020844 0.003801 0.050807 0.067554 16H 2s 0.862196 0.727704 0.022317 -0.044330 0.164739 0.065609 16H 3s -0.143232 -0.125125 -0.035032 -0.051346 0.008135 -0.033602 16H 1pz 0.547420 0.482811 0.006372 -0.023721 0.078536 0.057295 16H 1px -0.019170 -0.018177 0.005048 0.022848 -0.018492 -0.007039 16H 1py 0.231823 0.206208 0.016386 -0.016545 0.031886 0.029841 17H 1s -0.625685 -0.526160 0.003513 -0.141904 -0.056844 0.064372 17H 2s -0.907634 -0.710647 -0.019036 -0.250076 -0.157241 0.061594 17H 3s 0.144322 0.128748 0.040795 0.007322 -0.006010 -0.036699 17H 1pz 0.378757 0.310971 -0.002779 0.085910 0.042190 -0.034259 17H 1px 0.372793 0.298164 -0.014297 0.109830 0.062295 -0.038544 17H 1py -0.336764 -0.263601 -0.001095 -0.094518 -0.047047 0.036417 18H 1s -0.631981 0.517722 -0.001853 0.146920 -0.055738 0.064308 18H 2s -0.914813 0.700611 0.027098 0.259665 -0.152002 0.060763 18H 3s 0.146139 -0.126386 -0.041176 -0.009432 -0.005578 -0.036663 18H 1pz -0.391544 0.313807 -0.001103 0.092022 -0.041934 0.035433 18H 1px -0.376585 0.294118 -0.011515 0.113571 -0.060741 0.038530 18H 1py 0.328037 -0.249653 -0.003004 -0.094156 0.044592 -0.035335 19H 1s 0.602990 -0.540040 -0.016497 -0.009757 0.050182 0.067667 19H 2s 0.874839 -0.716742 -0.009929 0.034762 0.165945 0.065467 19H 3s -0.144843 0.123823 0.033485 0.053629 0.008548 -0.033690 19H 1pz -0.549736 0.471557 0.000313 -0.017541 -0.077957 -0.056258 19H 1px 0.024024 -0.021803 0.005820 0.022644 0.019008 0.007696 19H 1py -0.247454 0.214832 0.013901 -0.014468 -0.033260 -0.031423 20H 1s 0.006758 -0.001516 -0.013726 0.005066 -0.000799 -0.013463 20H 2s -0.007250 -0.000655 0.006988 0.007841 -0.008532 -0.000553 20H 3s -0.028375 0.003444 0.069083 -0.050704 0.037769 0.070650 20H 1pz 0.002954 -0.000771 -0.017244 0.014131 0.001881 -0.022238 20H 1px -0.001230 -0.001608 -0.000524 0.002186 0.000628 -0.002551 20H 1py -0.000685 0.000539 0.018693 -0.012885 -0.016482 0.015243 21H 1s 0.006019 0.006729 0.002802 -0.005452 -0.006757 0.002122 21H 2s 0.008337 0.000148 -0.021360 0.019328 0.033224 -0.004371 21H 3s -0.025169 -0.001341 0.043346 -0.030592 0.015187 0.004652 21H 1pz -0.002038 -0.002986 -0.010205 0.004421 0.005774 -0.008530 21H 1px -0.004175 -0.002271 0.010987 -0.007984 -0.012129 0.003012 21H 1py 0.002586 -0.005086 0.009014 -0.003844 -0.006096 0.006564 22H 1s -0.005095 -0.015327 0.022743 -0.016887 -0.013367 0.021635 22H 2s -0.034850 0.002173 0.043220 -0.013756 -0.019712 0.037551 22H 3s 0.009265 -0.027409 -0.011821 0.005912 -0.001924 -0.068551 22H 1pz 0.007344 0.003941 -0.013201 0.004395 0.006701 -0.011824 22H 1px -0.009042 -0.005048 0.005019 -0.003057 0.009114 0.014842 22H 1py -0.004160 0.002286 0.003370 0.001298 -0.006910 -0.000065 23H 1s 0.001246 -0.002812 0.001461 -0.002333 0.004308 -0.000825 23H 2s 0.001710 0.004133 -0.015698 -0.013815 -0.036200 -0.003262 23H 3s 0.019605 -0.020471 0.033928 0.054223 -0.014173 0.020562 23H 1pz -0.000078 -0.002387 -0.006816 -0.016651 -0.008970 -0.013122 23H 1px -0.000326 -0.002380 0.008242 0.011197 0.011691 0.005466 23H 1py 0.000290 0.000737 -0.000315 -0.004516 0.001015 -0.005960 24H 1s -0.001036 0.001607 -0.005208 -0.011169 0.000722 -0.010669 24H 2s 0.000588 -0.006741 -0.007325 0.002248 -0.006645 -0.004731 24H 3s 0.015527 -0.012344 0.049276 0.070599 -0.026376 0.062934 24H 1pz -0.000101 0.001324 -0.013518 -0.018859 -0.013324 -0.015759 24H 1px 0.001149 0.001189 0.004808 0.008153 0.002852 0.007836 24H 1py -0.002450 -0.000648 -0.011628 -0.012818 -0.002961 -0.017828 25H 1s 0.001494 0.018281 0.016286 0.026562 0.014896 0.021003 25H 2s -0.025873 0.005620 0.024692 0.044405 0.038035 0.029052 25H 3s -0.001739 -0.010305 -0.013164 -0.011569 -0.004323 -0.075559 25H 1pz 0.008305 -0.001778 -0.002696 -0.005549 -0.010668 -0.000386 25H 1px -0.000328 0.012433 0.007594 0.013570 -0.002487 0.018621 25H 1py 0.004924 0.000246 -0.001117 -0.005199 -0.010086 0.001928 26O 1s 0.000862 -0.000701 -0.004969 -0.008251 0.003619 0.007137 26O 2s 0.003034 -0.002854 -0.015308 -0.025368 0.010244 0.022438 26O 3s -0.042937 0.032822 0.172780 0.285241 -0.094812 -0.268031 26O 4s 0.099229 0.062870 -0.228644 -0.385296 -0.014475 0.448027 26O 5s 0.182520 -0.651347 -0.662143 -0.975903 0.042509 1.213405 26O 1pz 0.017562 0.009865 0.002886 0.015710 -0.037846 0.028631 26O 1px 0.013893 -0.030080 -0.097186 -0.152614 0.082199 0.123911 26O 1py 0.019027 -0.002013 -0.025818 -0.052085 0.008089 0.063342 26O 2pz -0.068508 -0.050346 0.001660 -0.059047 0.154475 -0.127974 26O 2px -0.076457 0.118743 0.329966 0.503270 -0.184242 -0.484030 26O 2py -0.081724 0.004035 0.078372 0.177825 0.025478 -0.256328 26O 3pz -0.050465 -0.103327 0.020074 0.072380 -0.048698 -0.074308 26O 3px -0.072551 0.128338 0.368104 0.589997 -0.214127 -0.683516 26O 3py -0.103917 -0.007019 0.202267 0.229441 -0.111345 -0.297360 26O 1dz2 0.011432 0.000472 -0.124115 -0.248778 0.175654 0.172060 26O 1dxz -0.069984 0.075941 -0.006629 -0.050310 0.181764 -0.107254 26O 1dyz -0.028855 0.110941 -0.005476 0.004514 0.105702 -0.071782 26O 1dx2y2 0.006483 0.025807 0.225009 0.320268 -0.285001 -0.204955 26O 1dxy -0.078207 0.104308 0.154342 0.263705 -0.085298 -0.265078 26O 2dz2 -0.027938 0.027082 0.169097 0.319849 -0.199601 -0.249217 26O 2dxz 0.087664 -0.031244 -0.007558 0.058162 -0.222608 0.160143 26O 2dyz 0.035922 -0.093984 -0.006246 -0.010030 -0.116835 0.097947 26O 2dx2y2 0.000536 -0.078783 -0.293488 -0.414260 0.336013 0.289948 26O 2dxy 0.108581 -0.114247 -0.201314 -0.357918 0.097301 0.381254 26O 1f0 0.022573 0.034166 -0.016182 0.001016 -0.042266 0.052688 26O 1f+1 0.007714 -0.062170 -0.061214 -0.112009 0.065172 0.081681 26O 1f-1 0.013667 -0.028495 -0.017351 -0.042018 -0.008038 0.040028 26O 1f+2 -0.020476 -0.012430 0.001076 -0.023647 0.062719 -0.032973 26O 1f-2 -0.021556 -0.052086 0.029623 0.030284 0.011818 -0.068548 26O 1f+3 -0.019359 -0.057217 -0.063540 -0.073949 0.080743 0.030057 26O 1f-3 0.031070 -0.035121 -0.100144 -0.169555 0.077904 0.151722 27O 1s -0.000036 0.000993 -0.008103 0.005325 -0.003709 0.007149 27O 2s -0.000789 0.003238 -0.024720 0.016378 -0.010516 0.022462 27O 3s 0.022866 -0.025207 0.275351 -0.184834 0.098715 -0.267808 27O 4s -0.132238 -0.125326 -0.377209 0.228805 0.004644 0.450492 27O 5s -0.076611 0.528047 -0.851526 0.801066 -0.047103 1.181444 27O 1pz -0.006065 -0.018135 0.024740 -0.025486 0.034128 -0.002204 27O 1px -0.003619 0.034334 -0.155452 0.104132 -0.080461 0.138375 27O 1py 0.006407 0.013810 0.000972 -0.006609 -0.026985 -0.038415 27O 2pz 0.009044 0.070377 -0.078083 0.094414 -0.122058 0.002108 27O 2px 0.067072 -0.084499 0.500884 -0.349711 0.172233 -0.535958 27O 2py -0.023191 -0.075129 0.007937 0.033715 0.129260 0.158390 27O 3pz -0.021604 0.079349 -0.036439 -0.019373 0.000575 0.037885 27O 3px -0.024862 -0.063742 0.586255 -0.495557 0.235930 -0.732164 27O 3py 0.055182 -0.094350 -0.174989 0.082198 -0.087897 0.153468 27O 1dz2 0.027131 0.088037 -0.203844 0.178305 -0.115988 0.198222 27O 1dxz 0.026249 -0.007658 -0.124248 0.099785 -0.193702 0.020854 27O 1dyz 0.013785 0.070140 0.007752 -0.003575 0.041715 0.008180 27O 1dx2y2 -0.056205 -0.082946 0.411485 -0.255919 0.312156 -0.298855 27O 1dxy 0.001252 0.089714 -0.034907 0.061219 0.123097 0.166399 27O 2dz2 -0.017795 -0.097763 0.274153 -0.227955 0.138466 -0.282413 27O 2dxz -0.014821 -0.035097 0.146047 -0.129485 0.234104 -0.028674 27O 2dyz -0.016753 -0.071881 -0.002935 0.001230 -0.038033 -0.006227 27O 2dx2y2 0.032185 0.121869 -0.525674 0.335102 -0.363329 0.426297 27O 2dxy -0.008162 -0.040660 0.057097 -0.098919 -0.151937 -0.236524 27O 1f0 -0.004606 -0.047296 0.023057 -0.032669 0.035928 -0.004289 27O 1f+1 0.001591 0.030951 -0.131866 0.092103 -0.068008 0.121567 27O 1f-1 -0.002386 0.015104 0.022980 -0.018860 -0.007648 -0.033639 27O 1f+2 0.002308 0.043171 -0.049641 0.045993 -0.086386 0.015105 27O 1f-2 0.006905 -0.024672 -0.033438 0.010872 -0.025026 0.015678 27O 1f+3 -0.000059 0.094976 -0.141391 0.086385 -0.097422 0.104803 27O 1f-3 0.000257 0.043090 0.063148 -0.058715 -0.027741 -0.109778 28O 1s 0.000505 0.002812 -0.005176 -0.008443 0.004437 0.007358 28O 2s 0.002178 0.008969 -0.016009 -0.025987 0.013039 0.023300 28O 3s -0.040524 -0.091976 0.183504 0.298685 -0.132081 -0.282433 28O 4s 0.151648 -0.023441 -0.282649 -0.459949 0.070221 0.505325 28O 5s 0.213184 0.771576 -0.584348 -1.013942 0.156114 1.262642 28O 1pz 0.016354 0.023240 -0.054194 -0.079711 0.023458 0.100375 28O 1px -0.001477 -0.072746 0.087187 0.142172 -0.100807 -0.108058 28O 1py 0.005738 -0.010983 0.008647 -0.000193 -0.022247 0.020528 28O 2pz -0.098699 -0.046386 0.190672 0.275231 -0.003512 -0.408188 28O 2px 0.057617 0.234707 -0.294090 -0.491490 0.286489 0.430363 28O 2py -0.026130 0.055153 -0.040894 0.010914 0.099089 -0.086178 28O 3pz -0.059444 -0.054766 0.281772 0.572893 -0.249164 -0.506811 28O 3px 0.059982 0.211811 -0.318029 -0.523878 0.227990 0.602496 28O 3py 0.029955 0.059902 0.104192 0.113587 -0.068075 -0.082840 28O 1dz2 -0.028185 -0.059605 -0.009221 -0.072875 0.175401 -0.074103 28O 1dxz 0.000480 0.195322 -0.226758 -0.384844 0.244807 0.344180 28O 1dyz -0.012564 -0.090629 -0.029804 -0.008005 0.111940 -0.074440 28O 1dx2y2 0.045666 -0.128200 0.202310 0.301881 -0.304716 -0.183099 28O 1dxy 0.007010 -0.000649 0.010017 -0.008329 -0.057786 0.062043 28O 2dz2 0.038020 0.015765 0.000428 0.065850 -0.215594 0.105091 28O 2dxz -0.033704 -0.234457 0.309117 0.513363 -0.290284 -0.497270 28O 2dyz 0.014054 0.071041 0.029992 -0.015249 -0.126012 0.100308 28O 2dx2y2 -0.029555 0.197319 -0.253369 -0.389783 0.375303 0.263933 28O 2dxy -0.011109 0.030208 -0.018298 0.029081 0.081217 -0.092046 28O 1f0 -0.005943 0.078879 -0.036706 -0.069944 0.079351 0.046128 28O 1f+1 0.027433 -0.011842 -0.061661 -0.082531 -0.020333 0.116134 28O 1f-1 -0.003079 0.028404 0.022320 0.052597 -0.026697 -0.038148 28O 1f+2 -0.005607 -0.109282 0.097733 0.152779 -0.106996 -0.132569 28O 1f-2 0.007796 -0.030609 -0.006892 -0.050240 -0.031923 0.056289 28O 1f+3 0.009192 -0.084760 0.063314 0.092534 -0.108518 -0.059303 28O 1f-3 0.006991 -0.017042 0.010418 -0.009859 -0.028940 0.027763 29O 1s 0.000488 -0.000292 -0.000289 0.001837 0.000153 -0.001982 29O 2s 0.001632 -0.001023 -0.001019 0.006806 0.000435 -0.007007 29O 3s -0.024866 0.015504 0.015763 -0.115532 -0.005285 0.105645 29O 4s 0.058559 -0.037718 -0.036950 0.283146 0.013416 -0.227293 29O 5s 0.004329 0.008358 -0.000457 0.071964 -0.019094 -0.168989 29O 1pz -0.240813 -0.212968 -0.000951 -0.020626 -0.023143 -0.004852 29O 1px -0.091914 -0.076227 0.001074 -0.022746 -0.009223 0.006931 29O 1py 0.025439 0.016164 -0.005291 0.027701 0.002493 -0.019298 29O 2pz 1.322664 1.143748 0.005284 0.107683 0.160376 0.023525 29O 2px 0.505839 0.410689 -0.006707 0.135375 0.061397 -0.028438 29O 2py -0.144289 -0.088962 0.023005 -0.155854 -0.016115 0.103824 29O 3pz 0.262404 0.189952 0.006773 0.006954 0.087128 -0.007461 29O 3px 0.105440 0.064549 0.001191 0.057355 0.034595 0.013805 29O 3py -0.033594 -0.020305 -0.013933 -0.036973 -0.007344 -0.020068 29O 1dz2 0.278831 0.256169 0.015645 -0.016093 0.017694 0.048298 29O 1dxz -0.272715 -0.210134 -0.001602 -0.066084 -0.019932 0.047208 29O 1dyz 0.486869 0.442474 0.016344 0.063236 0.046615 0.010910 29O 1dx2y2 -0.073786 -0.054516 -0.002942 0.002448 -0.007696 -0.054859 29O 1dxy 0.226702 0.194075 0.000598 0.052102 0.018647 -0.038357 29O 2dz2 -0.565318 -0.512358 -0.026087 0.025355 -0.056610 -0.074969 29O 2dxz 0.550949 0.441274 0.005142 0.133458 0.055619 -0.062014 29O 2dyz -0.966893 -0.849451 -0.015998 -0.113693 -0.115733 -0.014996 29O 2dx2y2 0.150891 0.123466 0.006558 -0.001515 0.016864 0.049899 29O 2dxy -0.445563 -0.371724 0.001010 -0.108311 -0.049315 0.060303 29O 1f0 0.024621 0.029578 0.008980 -0.043479 0.005620 0.033884 29O 1f+1 0.046034 0.031769 -0.003863 0.021436 0.012921 -0.009587 29O 1f-1 0.266868 0.242772 0.011832 -0.026480 0.026077 0.046146 29O 1f+2 -0.116953 -0.108890 0.001308 0.003832 -0.014662 -0.008154 29O 1f-2 -0.395668 -0.318858 -0.001960 -0.083471 -0.040190 0.032072 29O 1f+3 0.121038 0.099385 -0.000629 0.026578 0.014694 -0.003112 29O 1f-3 0.189020 0.153397 0.001821 0.033752 0.018791 -0.005668 30O 1s -0.001115 -0.002485 -0.008405 0.004482 -0.003821 0.007218 30O 2s -0.003733 -0.008383 -0.025989 0.013547 -0.011035 0.022703 30O 3s 0.049016 0.096837 0.295675 -0.149328 0.106988 -0.272347 30O 4s -0.075487 -0.041045 -0.411752 0.228979 -0.025284 0.465922 30O 5s -0.302068 -0.818314 -1.092641 0.303533 -0.058033 1.211501 30O 1pz -0.020949 -0.023961 -0.075806 0.028323 -0.023053 0.074129 30O 1px 0.003426 0.057350 0.141759 -0.075343 0.093639 -0.093723 30O 1py 0.031144 0.019019 0.061771 -0.032514 0.003199 -0.081868 30O 2pz 0.093357 0.080424 0.262725 -0.069552 0.019693 -0.296713 30O 2px -0.020724 -0.218998 -0.476332 0.241246 -0.264477 0.360219 30O 2py -0.133326 -0.064183 -0.206689 0.100550 0.060322 0.332514 30O 3pz 0.114806 0.069860 0.351759 -0.205289 0.151993 -0.392278 30O 3px -0.074423 -0.238561 -0.482285 0.167911 -0.156480 0.533767 30O 3py -0.186821 -0.032250 -0.437430 0.170076 -0.167779 0.421812 30O 1dz2 0.014584 -0.051763 -0.100900 0.089615 -0.109026 0.053407 30O 1dxz -0.040660 -0.098974 -0.312201 0.162254 -0.216663 0.232908 30O 1dyz -0.115639 -0.178432 -0.161214 0.018594 0.042172 0.208587 30O 1dx2y2 -0.067341 -0.032649 0.232773 -0.138407 0.313086 -0.048950 30O 1dxy 0.079925 0.093102 0.293466 -0.154247 0.156770 -0.253031 30O 2dz2 -0.020167 0.085045 0.125300 -0.115893 0.136923 -0.070339 30O 2dxz 0.060990 0.147902 0.413608 -0.191616 0.254824 -0.331810 30O 2dyz 0.152500 0.185269 0.232660 -0.038565 -0.047604 -0.298913 30O 2dx2y2 0.095265 -0.035580 -0.277178 0.164350 -0.383158 0.058666 30O 2dxy -0.113586 -0.131753 -0.382824 0.200390 -0.173346 0.364716 30O 1f0 -0.015997 -0.041826 -0.125671 0.069170 -0.085127 0.099160 30O 1f+1 -0.018888 0.015437 -0.003328 -0.022243 0.029214 0.019167 30O 1f-1 -0.016172 0.019144 -0.027233 -0.002657 0.004966 0.027478 30O 1f+2 -0.029117 0.083485 0.047741 -0.019083 0.071229 -0.004718 30O 1f-2 0.055190 0.055895 0.159389 -0.065261 0.039794 -0.150235 30O 1f+3 -0.053385 0.024570 0.004976 -0.002112 0.083916 0.050748 30O 1f-3 0.000823 0.089610 0.100617 -0.052775 0.078872 -0.072095 31O 1s -0.001162 0.002490 0.008395 -0.004479 -0.003875 0.007203 31O 2s -0.003878 0.008390 0.025962 -0.013538 -0.011214 0.022658 31O 3s 0.050380 -0.096805 -0.295412 0.149317 0.109290 -0.271948 31O 4s -0.075896 0.039928 0.411759 -0.228909 -0.030370 0.466434 31O 5s -0.306175 0.819132 1.093472 -0.308390 -0.062763 1.208403 31O 1pz 0.021426 -0.023880 -0.075873 0.028316 0.023640 -0.074048 31O 1px -0.004518 0.057426 0.141483 -0.075039 -0.094185 0.093284 31O 1py -0.031553 0.018719 0.061826 -0.032634 -0.003969 0.081816 31O 2pz -0.094025 0.080145 0.263086 -0.070027 -0.022287 0.296773 31O 2px 0.023612 -0.218704 -0.475430 0.240322 0.267002 -0.359071 31O 2py 0.134000 -0.063141 -0.207123 0.101641 -0.057066 -0.332662 31O 3pz -0.115231 0.071833 0.353711 -0.206980 -0.154683 0.392013 31O 3px 0.075888 -0.239812 -0.482819 0.169959 0.158503 -0.532628 31O 3py 0.187737 -0.032809 -0.438554 0.172694 0.169920 -0.421604 31O 1dz2 0.012636 0.052122 0.100638 -0.089455 -0.108918 0.052691 31O 1dxz -0.043044 0.099375 0.312150 -0.162064 -0.218026 0.232008 31O 1dyz -0.116246 0.178338 0.161503 -0.019482 0.040275 0.208468 31O 1dx2y2 -0.066248 0.031231 -0.231831 0.137532 0.312527 -0.047763 31O 1dxy 0.082193 -0.092595 -0.293013 0.154309 0.158083 -0.252177 31O 2dz2 -0.017893 -0.085084 -0.124773 0.115537 0.136874 -0.069420 31O 2dxz 0.063475 -0.148339 -0.413521 0.191438 0.257032 -0.330807 31O 2dyz 0.153143 -0.185487 -0.233148 0.040061 -0.044922 -0.298833 31O 2dx2y2 0.093725 0.036569 0.275799 -0.162647 -0.382549 0.057187 31O 2dxy -0.116158 0.131052 0.382345 -0.200791 -0.175600 0.363776 31O 1f0 0.016956 -0.041848 -0.125486 0.069086 0.085726 -0.098789 31O 1f+1 0.018322 0.015187 -0.003704 -0.022087 -0.028752 -0.019461 31O 1f-1 0.016173 0.018843 -0.027485 -0.002398 -0.004665 -0.027587 31O 1f+2 0.028723 0.083425 0.047342 -0.018397 -0.071106 0.004349 31O 1f-2 -0.055975 0.056145 0.159482 -0.065632 -0.041159 0.150028 31O 1f+3 0.053349 0.024756 0.004503 -0.001302 -0.083088 -0.051121 31O 1f-3 -0.001837 0.089225 0.100190 -0.052342 -0.079194 0.071707 32O 1s 0.000467 0.000339 0.000217 -0.001820 0.000156 -0.001986 32O 2s 0.001558 0.001152 0.000738 -0.006754 0.000422 -0.007019 32O 3s -0.023548 -0.017047 -0.010744 0.114793 -0.004628 0.105779 32O 4s 0.055900 0.040648 0.025649 -0.281431 0.011735 -0.227785 32O 5s 0.000067 -0.009637 -0.010999 -0.072460 -0.023545 -0.167619 32O 1pz 0.244674 -0.210785 0.000024 -0.023517 0.022924 0.004443 32O 1px 0.091776 -0.074127 0.000504 -0.023571 0.008876 -0.007071 32O 1py -0.019134 0.010415 -0.004540 0.027035 -0.001729 0.019330 32O 2pz -1.343983 1.131838 -0.000246 0.124223 -0.159114 -0.021091 32O 2px -0.504933 0.399574 -0.003199 0.140249 -0.058850 0.029209 32O 2py 0.109535 -0.058205 0.017482 -0.152460 0.010435 -0.103991 32O 3pz -0.265849 0.186902 0.005979 0.010802 -0.086765 0.006374 32O 3px -0.105757 0.063444 0.000801 0.058573 -0.033392 -0.013931 32O 3py 0.026821 -0.016984 -0.018243 -0.036927 0.003116 0.020434 32O 1dz2 0.261201 -0.236193 -0.012096 0.016240 0.014525 0.048415 32O 1dxz -0.286644 0.216039 0.003285 0.069563 -0.020697 0.047285 32O 1dyz 0.500791 -0.443784 -0.015589 -0.067249 0.046817 0.011993 32O 1dx2y2 -0.087983 0.063953 0.002217 -0.000100 -0.009729 -0.054725 32O 1dxy 0.218602 -0.183343 -0.000921 -0.052217 0.016855 -0.037808 32O 2dz2 -0.530344 0.471455 0.019691 -0.025132 -0.050525 -0.075015 32O 2dxz 0.578695 -0.452871 -0.007735 -0.141211 0.056997 -0.062371 32O 2dyz -0.994215 0.851986 0.014010 0.121777 -0.116122 -0.017193 32O 2dx2y2 0.179169 -0.142758 -0.005268 -0.003436 0.020632 0.049573 32O 2dxy -0.429530 0.350159 0.000635 0.108555 -0.045427 0.059353 32O 1f0 -0.011393 0.016928 0.006085 -0.041253 -0.004695 -0.031404 32O 1f+1 -0.057340 0.039439 -0.003124 0.025642 -0.013620 0.011356 32O 1f-1 -0.265306 0.235894 0.008821 -0.026227 -0.025657 -0.047628 32O 1f+2 0.117766 -0.107830 0.002273 0.005459 0.014644 0.010296 32O 1f-2 0.405590 -0.319339 -0.003201 -0.086681 0.039629 -0.031313 32O 1f+3 -0.106046 0.084896 -0.000175 0.024414 -0.012753 0.002078 32O 1f-3 -0.194575 0.154153 0.001764 0.035362 -0.019030 0.005370 33O 1s 0.000555 -0.002818 0.005190 0.008399 0.004476 0.007363 33O 2s 0.002326 -0.008976 0.016060 0.025856 0.013167 0.023313 33O 3s -0.041634 0.091930 -0.184093 -0.297156 -0.133740 -0.282528 33O 4s 0.149595 0.025107 0.284391 0.457950 0.073224 0.505125 33O 5s 0.219570 -0.773819 0.583372 1.008427 0.165080 1.262844 33O 1pz -0.017014 0.023062 -0.054331 -0.079125 -0.024179 -0.100208 33O 1px 0.002919 -0.072597 0.087532 0.141833 0.101344 0.108340 33O 1py -0.005654 -0.010823 0.008628 -0.000142 0.021968 -0.020601 33O 2pz 0.099331 -0.046019 0.190698 0.272660 0.006858 0.407124 33O 2px -0.060833 0.233507 -0.295459 -0.490380 -0.288932 -0.431199 33O 2py 0.025614 0.054269 -0.041168 0.010430 -0.097983 0.086450 33O 3pz 0.059126 -0.060000 0.281380 0.568583 0.252912 0.506735 33O 3px -0.060474 0.214672 -0.318138 -0.520513 -0.231219 -0.603367 33O 3py -0.029837 0.058357 0.104987 0.112810 0.068801 0.083811 33O 1dz2 -0.028579 0.059256 0.009454 0.074029 0.174105 -0.072815 33O 1dxz 0.004607 -0.196153 0.227273 0.382550 0.246713 0.344368 33O 1dyz -0.012611 0.091953 0.030115 0.008364 0.110787 -0.074654 33O 1dx2y2 0.042149 0.128742 -0.202771 -0.300988 -0.305311 -0.183988 33O 1dxy 0.007149 0.000395 -0.009251 0.008716 -0.056958 0.062579 33O 2dz2 0.037975 -0.016298 -0.001350 -0.067965 -0.213781 0.103267 33O 2dxz -0.037878 0.235417 -0.309637 -0.510075 -0.293311 -0.497308 33O 2dyz 0.014093 -0.072950 -0.030587 0.014433 -0.124526 0.100633 33O 2dx2y2 -0.025671 -0.197350 0.254379 0.388912 0.376341 0.265066 33O 2dxy -0.011089 -0.029377 0.017746 -0.029193 0.079944 -0.092793 33O 1f0 0.004884 0.078356 -0.037457 -0.070458 -0.079474 -0.046770 33O 1f+1 -0.027817 -0.011289 -0.061188 -0.081030 0.019180 -0.115485 33O 1f-1 0.003414 0.028036 0.022220 0.052103 0.026967 0.038233 33O 1f+2 0.007019 -0.109231 0.098140 0.152072 0.107674 0.132671 33O 1f-2 -0.007903 -0.029734 -0.006687 -0.049831 0.030999 -0.056616 33O 1f+3 -0.008037 -0.084535 0.063841 0.092550 0.108668 0.059588 33O 1f-3 -0.006786 -0.016742 0.010232 -0.009914 0.028420 -0.028038 34O 1s -0.000075 -0.001011 0.008096 -0.005293 -0.003768 0.007140 34O 2s -0.000901 -0.003302 0.024699 -0.016286 -0.010705 0.022437 34O 3s 0.023789 0.026256 -0.275090 0.183782 0.101004 -0.267605 34O 4s -0.131522 0.122354 0.376922 -0.227472 0.000623 0.450399 34O 5s -0.080115 -0.535293 0.851409 -0.798975 -0.053827 1.182192 34O 1pz 0.005990 -0.017883 0.024632 -0.025559 -0.034155 0.002092 34O 1px 0.004723 0.034410 -0.155329 0.103765 0.081464 -0.138140 34O 1py -0.006456 0.013409 0.001153 -0.006523 0.026555 0.038577 34O 2pz -0.008937 0.069338 -0.077692 0.094824 0.122102 -0.001659 34O 2px -0.069349 -0.086177 0.500383 -0.348456 -0.176348 0.535675 34O 2py 0.023123 -0.073000 0.007339 0.033081 -0.127567 -0.159159 34O 3pz 0.022064 0.077536 -0.037058 -0.018367 -0.001256 -0.038422 34O 3px 0.024189 -0.069674 0.585781 -0.492120 -0.239618 0.731478 34O 3py -0.054836 -0.092880 -0.174988 0.079632 0.088936 -0.152984 34O 1dz2 0.025832 -0.088953 0.203616 -0.177124 -0.117502 0.197909 34O 1dxz 0.026092 0.008489 0.123624 -0.099812 -0.193043 0.020033 34O 1dyz 0.013625 -0.070405 -0.007892 0.003710 0.041055 0.008528 34O 1dx2y2 -0.052669 0.082096 -0.410904 0.254515 0.313520 -0.297737 34O 1dxy 0.000981 -0.091036 0.035738 -0.060483 0.120587 0.167291 34O 2dz2 -0.016356 0.099187 -0.273816 0.226420 0.140649 -0.282137 34O 2dxz -0.014704 0.033663 -0.145435 0.129968 0.233475 -0.027800 34O 2dyz -0.016531 0.072208 0.003106 -0.001485 -0.037363 -0.006564 34O 2dx2y2 0.028551 -0.121508 0.524931 -0.333476 -0.365673 0.425135 34O 2dxy -0.007765 0.043167 -0.057933 0.097320 -0.148730 -0.237595 34O 1f0 0.004668 -0.046800 0.023054 -0.032921 -0.035942 0.004257 34O 1f+1 -0.000607 0.031282 -0.131743 0.091582 0.068952 -0.121450 34O 1f-1 0.002048 0.014715 0.022968 -0.018600 0.007177 0.033708 34O 1f+2 -0.002109 0.042342 -0.049605 0.046279 0.086207 -0.014877 34O 1f-2 -0.006539 -0.024429 -0.033242 0.010535 0.025020 -0.015469 34O 1f+3 0.000768 0.094546 -0.141241 0.086343 0.098143 -0.104597 34O 1f-3 -0.000760 0.041740 0.063331 -0.057806 0.026445 0.109987 35O 1s 0.000901 0.000741 0.004987 0.008219 0.003654 0.007130 35O 2s 0.003142 0.002984 0.015356 0.025265 0.010358 0.022412 35O 3s -0.043728 -0.034487 -0.173299 -0.284084 -0.096190 -0.267613 35O 4s 0.098871 -0.060388 0.229067 0.383210 -0.011784 0.446716 35O 5s 0.179448 0.661391 0.663223 0.975673 0.045412 1.211431 35O 1pz -0.017381 0.009357 0.002547 0.015591 0.037652 -0.028529 35O 1px -0.014743 -0.030619 -0.097203 -0.151833 -0.082685 -0.123776 35O 1py -0.019396 -0.002520 -0.026115 -0.051977 -0.008403 -0.063412 35O 2pz 0.067560 -0.047721 0.003307 -0.058093 -0.153717 0.127508 35O 2px 0.077365 0.121279 0.329788 0.500742 0.186312 0.482922 35O 2py 0.082310 0.006377 0.079683 0.177852 -0.024377 0.256478 35O 3pz 0.050392 -0.100092 0.022393 0.071729 0.049225 0.073932 35O 3px 0.071708 0.134732 0.371208 0.589619 0.215801 0.682505 35O 3py 0.103332 -0.002327 0.204981 0.229941 0.111482 0.297470 35O 1dz2 0.014120 -0.000017 0.124455 0.247362 0.175799 0.172192 35O 1dxz -0.068263 -0.077724 0.005947 0.050397 0.180374 -0.106402 35O 1dyz -0.028166 -0.112330 0.004697 -0.004955 0.104749 -0.071393 35O 1dx2y2 0.004944 -0.026778 -0.224928 -0.318492 -0.285399 -0.204564 35O 1dxy -0.079679 -0.107034 -0.155912 -0.263306 -0.086282 -0.265275 35O 2dz2 -0.030407 -0.027923 -0.169420 -0.318104 -0.200082 -0.249213 35O 2dxz 0.085800 0.034633 0.009230 -0.057585 -0.220997 0.159098 35O 2dyz 0.035240 0.096127 0.007584 0.010824 -0.115779 0.097529 35O 2dx2y2 0.001759 0.079922 0.292912 0.411629 0.336871 0.289112 35O 2dxy 0.110079 0.118159 0.203567 0.357628 0.098698 0.381460 35O 1f0 -0.022292 0.032742 -0.017044 0.000567 0.041757 -0.052526 35O 1f+1 -0.008015 -0.062021 -0.060988 -0.111285 -0.065656 -0.081653 35O 1f-1 -0.013681 -0.028888 -0.017583 -0.042146 0.007722 -0.040088 35O 1f+2 0.020075 -0.011348 0.001505 -0.023471 -0.062394 0.032574 35O 1f-2 0.021921 -0.050619 0.030691 0.030717 -0.011431 0.068539 35O 1f+3 0.019483 -0.056842 -0.062622 -0.072837 -0.080842 -0.029577 35O 1f-3 -0.032008 -0.036323 -0.100754 -0.169055 -0.078487 -0.151729 732 733 734 735 736 737 7.16801 7.16991 7.18706 7.23103 7.23243 7.23308 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s -0.000107 -0.000157 -0.001176 -0.000052 -0.000456 0.000050 0Rh 2s 0.001097 0.000353 0.015126 0.001785 -0.005522 0.000203 0Rh 3s -0.000016 -0.000757 0.001658 0.000726 -0.006014 0.000425 0Rh 4s -0.007180 -0.003008 -0.096683 -0.010944 0.030458 -0.000893 0Rh 5s 0.022446 0.008124 0.299485 0.035086 -0.105547 0.003097 0Rh 6s -0.034657 -0.005702 -0.460286 -0.060254 0.219633 -0.006821 0Rh 7s 0.077715 0.017306 0.803551 0.127305 -0.575574 -0.009264 0Rh 8s -0.043469 -0.040380 0.167224 0.048310 -0.372212 0.036313 0Rh 1pz -0.009395 -0.030598 0.001657 -0.020560 0.001398 0.006404 0Rh 1px 0.002412 -0.011556 0.002602 -0.007586 -0.001800 -0.000960 0Rh 1py -0.032017 0.008084 -0.000131 0.007510 -0.000169 0.022407 0Rh 2pz 0.040316 0.131234 -0.007179 0.088929 -0.006037 -0.027717 0Rh 2px -0.010337 0.049578 -0.011187 0.032817 0.007901 0.004178 0Rh 2py 0.137329 -0.034675 0.000581 -0.032488 0.000656 -0.096900 0Rh 3pz -0.149552 -0.485620 0.028093 -0.343968 0.023187 0.107538 0Rh 3px 0.038000 -0.183754 0.041606 -0.127030 -0.033006 -0.016576 0Rh 3py -0.508356 0.128350 -0.002618 0.125707 -0.001009 0.374373 0Rh 4pz 0.232966 0.754429 -0.047905 0.571290 -0.038877 -0.179265 0Rh 4px -0.057642 0.286529 -0.063006 0.211454 0.061924 0.027795 0Rh 4py 0.790660 -0.199657 0.005639 -0.208893 -0.002190 -0.620820 0Rh 5pz -0.159264 -0.517811 0.040241 -0.427088 0.030733 0.133600 0Rh 5px 0.034418 -0.198783 0.029470 -0.160951 -0.051530 -0.016745 0Rh 5py -0.545128 0.137878 -0.005600 0.156928 0.006489 0.464039 0Rh 6pz 0.071825 0.254773 -0.060723 -0.489994 0.040056 0.182580 0Rh 6px 0.026540 0.085585 0.310729 -0.118354 -0.288341 -0.065421 0Rh 6py 0.274026 -0.086299 -0.073846 0.151180 0.037894 0.517499 0Rh 1dz2 -0.000059 -0.000525 0.004088 0.004945 -0.006274 -0.002991 0Rh 1dxz 0.001073 -0.001080 0.006357 -0.003341 -0.008748 0.002254 0Rh 1dyz -0.002141 -0.000441 0.001482 0.001603 -0.002465 -0.006523 0Rh 1dx2y2 -0.001515 0.000728 -0.008332 -0.003553 0.012381 -0.002580 0Rh 1dxy -0.002571 0.000497 -0.003781 0.001813 0.005817 0.002333 0Rh 2dz2 -0.000010 -0.000160 -0.004247 -0.003936 0.005470 0.002901 0Rh 2dxz -0.000222 0.001850 -0.005995 0.001318 0.007351 -0.001352 0Rh 2dyz 0.001332 0.000851 -0.001374 -0.003486 0.001950 0.006838 0Rh 2dx2y2 0.000620 -0.000102 0.008436 0.002170 -0.010743 0.001984 0Rh 2dxy 0.002984 -0.000561 0.003539 -0.001635 -0.004612 0.000309 0Rh 3dz2 0.000368 0.004082 -0.002556 -0.009720 0.009632 0.003176 0Rh 3dxz -0.005470 -0.003120 -0.007299 0.013799 0.015008 -0.006773 0Rh 3dyz 0.006102 -0.001780 -0.001834 0.008706 0.004903 0.004063 0Rh 3dx2y2 0.006059 -0.003926 0.006372 0.010464 -0.019298 0.005388 0Rh 3dxy 0.000121 -0.000101 0.004525 -0.002542 -0.011506 -0.016163 0Rh 4dz2 -0.000453 -0.012267 -0.011237 0.012110 -0.003548 0.002569 0Rh 4dxz 0.015575 0.015861 -0.004408 -0.036820 -0.011601 0.014198 0Rh 4dyz -0.011983 0.008625 -0.000437 -0.042911 -0.006204 0.017971 0Rh 4dx2y2 -0.015532 0.010750 0.018517 -0.022276 0.008360 -0.006809 0Rh 4dxy 0.010027 -0.001610 0.001578 0.000281 0.014190 0.050777 0Rh 5dz2 -0.003415 0.019052 0.101437 0.052754 -0.103355 -0.063196 0Rh 5dxz -0.029859 -0.045849 0.116713 0.064872 -0.121962 -0.003048 0Rh 5dyz 0.001439 -0.031665 0.025368 0.187753 -0.022736 -0.187264 0Rh 5dx2y2 0.023712 -0.016725 -0.193810 0.014149 0.199625 -0.030772 0Rh 5dxy -0.042556 0.004654 -0.062545 0.037980 0.056814 -0.132725 0Rh 1f0 -0.025638 0.016482 -0.008497 0.020635 0.001527 0.027287 0Rh 1f+1 -0.009616 -0.013845 0.006501 -0.011484 0.000658 0.009094 0Rh 1f-1 -0.047508 -0.028822 0.003825 -0.025906 0.002750 0.050948 0Rh 1f+2 0.001898 0.049484 0.002306 0.052679 0.000101 -0.000028 0Rh 1f-2 -0.036783 0.014427 0.001539 0.016953 0.002140 0.037717 0Rh 1f+3 0.015469 -0.029739 0.012566 -0.030778 -0.000705 -0.015223 0Rh 1f-3 -0.017603 0.006863 0.005391 0.009692 0.001196 0.016869 1Rh 1s 0.000110 0.000150 -0.001176 -0.000127 0.000443 -0.000028 1Rh 2s -0.001108 -0.000287 0.015107 0.000923 0.005729 -0.000645 1Rh 3s 0.000026 0.000747 0.001645 -0.000236 0.006057 -0.000547 1Rh 4s 0.007261 0.002573 -0.096574 -0.006214 -0.031754 0.003734 1Rh 5s -0.022677 -0.006791 0.299128 0.018677 0.109542 -0.013017 1Rh 6s 0.034881 0.003761 -0.459637 -0.025958 -0.225777 0.027166 1Rh 7s -0.076852 -0.012941 0.802386 0.037604 0.581737 -0.098321 1Rh 8s 0.043799 0.038819 0.166974 -0.012415 0.376964 -0.025667 1Rh 1pz -0.009348 -0.030619 -0.001580 0.020127 0.003571 -0.006525 1Rh 1px 0.002465 -0.011553 -0.002595 0.007799 -0.000428 0.001205 1Rh 1py -0.032013 0.008043 0.000115 -0.007175 -0.004799 -0.021736 1Rh 2pz 0.040115 0.131326 0.006847 -0.087062 -0.015431 0.028246 1Rh 2px -0.010564 0.049562 0.011155 -0.033752 0.001956 -0.005253 1Rh 2py 0.137309 -0.034496 -0.000512 0.031048 0.020685 0.094016 1Rh 3pz -0.148799 -0.485978 -0.026845 0.336825 0.059484 -0.109705 1Rh 3px 0.038848 -0.183693 -0.041462 0.130990 -0.009870 0.021065 1Rh 3py -0.508277 0.127661 0.002356 -0.120337 -0.078452 -0.363612 1Rh 4pz 0.231779 0.755046 0.045923 -0.559486 -0.099075 0.183293 1Rh 4px -0.059027 0.286416 0.062729 -0.219076 0.023197 -0.036256 1Rh 4py 0.790526 -0.198509 -0.005231 0.200512 0.126386 0.603925 1Rh 5pz -0.158482 -0.518396 -0.038783 0.418070 0.075790 -0.137441 1Rh 5px 0.035688 -0.198615 -0.029280 0.167573 -0.022587 0.023848 1Rh 5py -0.545092 0.136984 0.005383 -0.151517 -0.089796 -0.452449 1Rh 6pz 0.071579 0.256365 0.059915 0.481274 0.085260 -0.189084 1Rh 6px 0.024015 0.084325 -0.308509 0.158198 -0.253986 0.107915 1Rh 6py 0.276289 -0.085395 0.071583 -0.145150 -0.068404 -0.516628 1Rh 1dz2 0.000021 0.000567 0.004042 0.003581 0.006494 -0.002519 1Rh 1dxz -0.001095 0.001109 0.006342 -0.004638 0.008402 0.000859 1Rh 1dyz 0.001987 0.000468 0.001453 0.000356 0.001851 -0.003225 1Rh 1dx2y2 0.001489 -0.000739 -0.008281 -0.001741 -0.013012 -0.000035 1Rh 1dxy 0.002495 -0.000498 -0.003791 0.002288 -0.004953 0.004644 1Rh 2dz2 0.000055 0.000118 -0.004213 -0.002750 -0.005566 0.002466 1Rh 2dxz 0.000232 -0.001877 -0.005980 0.002417 -0.007200 -0.000133 1Rh 2dyz -0.001193 -0.000890 -0.001352 -0.002412 -0.001562 0.003912 1Rh 2dx2y2 -0.000595 0.000118 0.008397 0.000608 0.011116 -0.000221 1Rh 2dxy -0.002923 0.000557 0.003544 -0.002007 0.004232 -0.001655 1Rh 3dz2 -0.000368 -0.004118 -0.002450 -0.007609 -0.010479 0.002573 1Rh 3dxz 0.005552 0.003086 -0.007288 0.015973 -0.013660 -0.004644 1Rh 3dyz -0.005885 0.001821 -0.001774 0.010694 -0.003140 -0.000729 1Rh 3dx2y2 -0.006028 0.003911 0.006262 0.007592 0.021223 0.001398 1Rh 3dxy 0.000022 0.000129 0.004558 -0.003511 0.008170 -0.020014 1Rh 4dz2 0.000650 0.012203 -0.011435 0.011330 0.005585 0.002315 1Rh 4dxz -0.015810 -0.015860 -0.004360 -0.038284 0.008078 0.013536 1Rh 4dyz 0.011899 -0.008929 -0.000530 -0.043926 0.002340 0.018608 1Rh 4dx2y2 0.015534 -0.010645 0.018693 -0.020944 -0.012523 -0.005030 1Rh 4dxy -0.010214 0.001485 0.001478 0.001611 -0.005756 0.053396 1Rh 5dz2 0.002325 -0.018168 0.101488 0.030116 0.101194 -0.053887 1Rh 5dxz 0.030352 0.046225 0.116284 0.045537 0.128180 -0.027243 1Rh 5dyz -0.003111 0.033115 0.025334 0.168470 0.025775 -0.128881 1Rh 5dx2y2 -0.023892 0.016258 -0.193653 0.043561 -0.197456 0.010155 1Rh 5dxy 0.042200 -0.004189 -0.062276 0.041863 -0.069196 -0.099656 1Rh 1f0 -0.025647 0.016460 0.008410 -0.020314 -0.005927 -0.026738 1Rh 1f+1 -0.009499 -0.013875 -0.006495 0.011384 0.000993 -0.009218 1Rh 1f-1 -0.047485 -0.028862 -0.003724 0.025689 -0.001157 -0.050294 1Rh 1f+2 0.001815 0.049503 -0.002470 -0.052102 -0.008136 0.000485 1Rh 1f-2 -0.036639 0.014353 -0.001594 -0.016680 -0.006405 -0.037117 1Rh 1f+3 0.015474 -0.029710 -0.012468 0.030337 0.006425 0.014731 1Rh 1f-3 -0.017671 0.006820 -0.005401 -0.009602 -0.002972 -0.016482 2C 1s -0.003304 -0.002686 -0.002818 -0.000839 -0.000741 0.000585 2C 2s -0.004463 -0.003701 -0.004359 -0.001173 -0.000675 0.000831 2C 3s 0.099225 0.088088 0.144514 0.032674 -0.014570 -0.025906 2C 4s 0.036458 0.009221 -0.214419 0.049898 0.032903 -0.062526 2C 5s 0.641775 0.562755 0.738101 -0.021463 -0.044293 0.004155 2C 1pz 0.020766 0.021849 0.027575 -0.005428 0.015608 0.008242 2C 1px 0.005077 0.002948 0.005517 0.046463 -0.052987 -0.052038 2C 1py 0.019344 0.009123 0.016773 0.014494 -0.009157 -0.013216 2C 2pz 0.077269 0.042303 -0.084995 0.208209 -0.174170 -0.226556 2C 2px 0.037318 0.049989 0.001010 -0.297226 0.377036 0.334268 2C 2py 0.002694 0.035110 -0.070974 0.002351 0.028204 -0.011451 2C 3pz 0.181746 0.139238 0.176401 -0.008115 -0.009291 0.002839 2C 3px -0.083011 -0.068081 -0.016488 -0.017815 0.013189 0.008462 2C 3py 0.120866 0.130726 0.127074 0.002701 -0.004979 -0.003161 2C 1dz2 -0.001793 0.006707 -0.002263 -0.025884 0.035256 0.029031 2C 1dxz -0.002174 -0.002510 -0.010340 0.057098 -0.066310 -0.062852 2C 1dyz 0.006058 0.001629 -0.002586 0.000677 0.005453 0.000879 2C 1dx2y2 -0.006478 0.000002 0.003477 -0.004637 0.001177 0.006697 2C 1dxy 0.000885 -0.002363 -0.001707 0.039783 -0.049425 -0.047015 2C 2dz2 0.046031 0.007804 -0.007755 0.093430 -0.091129 -0.102359 2C 2dxz 0.013591 0.013419 0.029786 -0.033980 0.044598 0.035358 2C 2dyz 0.013930 0.030107 -0.043666 -0.007982 0.034004 0.002727 2C 2dx2y2 -0.050216 -0.056114 -0.051726 -0.119073 0.120528 0.117513 2C 2dxy -0.017380 -0.010630 -0.023856 -0.047099 0.068947 0.067976 2C 1f0 0.019188 0.012236 0.012763 -0.033074 0.045318 0.038497 2C 1f+1 0.049245 0.040045 0.036441 0.034240 -0.022992 -0.036077 2C 1f-1 -0.003460 -0.003685 -0.010517 -0.002504 0.004819 0.001551 2C 1f+2 -0.030094 -0.028202 -0.018954 0.016144 -0.032415 -0.021046 2C 1f-2 -0.002959 -0.006630 -0.010919 0.031107 -0.034981 -0.034315 2C 1f+3 -0.001724 0.000325 0.000909 0.022543 -0.025352 -0.023871 2C 1f-3 0.041605 0.036967 0.033982 -0.002311 0.017711 0.005996 3C 1s 0.002675 -0.003350 -0.002651 0.001695 -0.000193 -0.000859 3C 2s 0.003613 -0.004492 -0.004179 0.001587 -0.000015 -0.001018 3C 3s -0.080311 0.099379 0.146586 0.026960 -0.026424 0.017002 3C 4s -0.046031 0.030582 -0.237890 -0.198390 0.059329 0.110721 3C 5s -0.531268 0.659648 0.725608 0.253825 -0.118305 -0.016671 3C 1pz -0.009459 0.017490 0.014358 -0.021509 0.012752 -0.012709 3C 1px -0.001646 0.009505 0.009505 0.054457 -0.043661 0.053401 3C 1py 0.021292 -0.020810 -0.027432 0.012198 -0.004488 0.002691 3C 2pz -0.010582 -0.026218 -0.080760 0.125679 -0.118784 0.190508 3C 2px -0.073742 0.022758 -0.036488 -0.424904 0.302543 -0.320265 3C 2py 0.081069 -0.086477 0.081176 -0.019402 0.076849 -0.203646 3C 3pz -0.172166 0.179382 0.140065 0.017975 -0.025446 0.011789 3C 3px 0.000381 -0.004289 0.032440 0.030589 0.009546 -0.007588 3C 3py 0.101108 -0.147464 -0.157326 -0.052199 0.024245 0.012344 3C 1dz2 -0.000166 0.005900 0.001476 -0.025721 0.018826 -0.021347 3C 1dxz 0.002590 0.004244 -0.004244 0.040414 -0.032388 0.040726 3C 1dyz 0.007157 -0.008580 -0.001743 0.040189 -0.026909 0.025188 3C 1dx2y2 0.008123 0.000316 0.006649 0.043639 -0.030321 0.027593 3C 1dxy -0.004427 0.002170 0.008578 -0.060422 0.050197 -0.062292 3C 2dz2 -0.032146 0.013611 0.035426 0.043950 -0.033235 0.028200 3C 2dxz -0.039943 0.032064 0.034604 0.051509 -0.053830 0.082087 3C 2dyz 0.036961 -0.018483 0.049692 0.027849 0.003126 -0.042713 3C 2dx2y2 0.026324 -0.048307 -0.018726 -0.094874 0.089361 -0.120596 3C 2dxy 0.024114 -0.004326 0.007319 0.122276 -0.092843 0.092398 3C 1f0 -0.018487 0.023084 0.019888 -0.010072 0.004102 -0.004722 3C 1f+1 -0.029325 0.032317 0.023969 -0.028523 0.013719 -0.010302 3C 1f-1 0.009433 -0.002688 -0.005414 0.013496 -0.008692 0.009664 3C 1f+2 -0.005426 0.005276 0.015774 0.041852 -0.028690 0.030191 3C 1f-2 0.022700 -0.026629 -0.013057 0.001123 0.007205 -0.018731 3C 1f+3 -0.027050 0.034042 0.022397 0.036244 -0.034909 0.050620 3C 1f-3 0.041924 -0.046110 -0.034558 0.065437 -0.038011 0.036952 4C 1s -0.017970 -0.014627 -0.003610 -0.007237 0.000930 0.006850 4C 2s -0.030831 -0.024660 0.001590 -0.014050 0.000780 0.013383 4C 3s -0.076487 -0.074784 -0.223573 0.004643 0.036608 -0.011213 4C 4s 1.616495 1.334170 0.849343 0.590145 -0.171554 -0.515859 4C 5s 0.148231 0.025432 -0.487215 0.093125 -0.013081 -0.129010 4C 1pz 0.057147 0.043129 -0.001865 0.054517 -0.039730 -0.057273 4C 1px 0.011746 0.008548 0.015696 -0.114957 0.139315 0.130583 4C 1py 0.035988 0.032201 0.003797 -0.009982 0.027571 0.014241 4C 2pz 0.175161 0.184029 -0.273292 0.338131 -0.268306 -0.354089 4C 2px -0.007183 0.018021 0.026832 -0.346318 0.543280 0.375267 4C 2py 0.163238 0.046191 -0.150971 0.071049 0.051883 -0.071426 4C 3pz 0.532802 0.470970 0.501012 0.074825 -0.120958 -0.116001 4C 3px 0.154005 0.120840 0.127023 -0.156473 0.203947 0.177588 4C 3py 0.408562 0.246858 0.329227 -0.022027 0.013803 -0.001788 4C 1dz2 -0.105263 -0.081880 -0.069462 0.050978 -0.103620 -0.070678 4C 1dxz -0.114570 -0.084486 -0.034296 -0.174069 0.175123 0.196380 4C 1dyz -0.043728 -0.043140 -0.049974 0.004165 -0.007601 0.000878 4C 1dx2y2 0.168493 0.150078 0.077829 0.052776 0.011300 -0.037870 4C 1dxy 0.061345 0.056238 0.034423 -0.090335 0.129411 0.091482 4C 2dz2 -0.363215 -0.327225 -0.324976 0.167536 -0.335239 -0.227612 4C 2dxz -0.415817 -0.304343 -0.241365 -0.649742 0.673987 0.726189 4C 2dyz -0.199003 -0.175738 -0.186369 -0.054300 -0.017309 0.058360 4C 2dx2y2 0.592323 0.502853 0.452756 0.180449 -0.030519 -0.141080 4C 2dxy 0.178397 0.179079 0.176782 -0.366048 0.464665 0.393163 4C 1f0 -0.019149 -0.032065 -0.033454 0.232810 -0.272628 -0.272441 4C 1f+1 -0.002912 -0.001561 0.017772 -0.221914 0.276565 0.260425 4C 1f-1 -0.049173 -0.043973 -0.073759 0.061849 -0.077378 -0.069152 4C 1f+2 0.029945 0.051404 0.045472 -0.158573 0.178439 0.186289 4C 1f-2 -0.016358 0.027311 0.009880 -0.273955 0.319604 0.307249 4C 1f+3 0.018369 0.004350 0.015771 -0.239378 0.273525 0.265663 4C 1f-3 -0.020731 0.008750 0.005707 -0.043999 0.053546 0.050713 5C 1s 0.015695 -0.018160 -0.003168 0.005706 0.001939 -0.007985 5C 2s 0.027465 -0.031448 0.002516 0.014491 0.002362 -0.016194 5C 3s 0.053891 -0.071437 -0.227919 -0.102370 0.037238 0.035978 5C 4s -1.374718 1.624697 0.826811 -0.247459 -0.232178 0.550908 5C 5s -0.087765 0.130605 -0.487255 -0.213317 0.002360 0.156151 5C 1pz -0.027026 0.026273 -0.006091 0.035818 -0.037423 0.053852 5C 1px -0.032234 0.042644 0.019678 -0.164920 0.112065 -0.122189 5C 1py 0.044488 -0.055349 0.001237 -0.004777 0.022867 -0.043087 5C 2pz -0.059321 0.118907 -0.167181 0.061863 -0.173984 0.285957 5C 2px -0.111773 0.196951 -0.048736 -0.591297 0.466956 -0.330788 5C 2py 0.222479 -0.135645 0.274057 0.075838 0.120047 -0.336682 5C 3pz -0.188782 0.323785 0.256491 0.152473 -0.109034 0.080922 5C 3px -0.188567 0.277791 0.240654 -0.176004 0.148704 -0.170776 5C 3py 0.476041 -0.544868 -0.485918 -0.173404 0.114257 -0.076094 5C 1dz2 0.081779 -0.079174 -0.029860 0.087459 -0.043460 0.028918 5C 1dxz 0.094679 -0.106490 -0.044931 -0.060537 0.085114 -0.130536 5C 1dyz -0.013314 0.008124 0.036757 -0.072037 0.064965 -0.084735 5C 1dx2y2 -0.165531 0.197450 0.097068 -0.155753 0.069997 -0.035827 5C 1dxy -0.044320 0.058730 0.027947 0.174323 -0.149314 0.172041 5C 2dz2 0.230366 -0.247738 -0.182606 0.245377 -0.152717 0.166075 5C 2dxz 0.315354 -0.393153 -0.293104 -0.333056 0.343203 -0.475370 5C 2dyz -0.081918 0.059571 0.083367 -0.344396 0.244495 -0.236701 5C 2dx2y2 -0.581956 0.655701 0.498209 -0.440837 0.207000 -0.144644 5C 2dxy -0.179247 0.251907 0.181243 0.637575 -0.542606 0.670826 5C 1f0 -0.007092 0.008392 0.030043 0.138961 -0.099774 0.126598 5C 1f+1 -0.014558 -0.019739 0.008059 -0.070576 0.048868 -0.058865 5C 1f-1 -0.035792 0.005623 0.017827 -0.155502 0.115665 -0.139002 5C 1f+2 -0.052564 0.061871 0.070399 -0.357821 0.257847 -0.321274 5C 1f-2 -0.012123 0.017854 0.024538 0.150389 -0.112597 0.120670 5C 1f+3 -0.018876 -0.013808 -0.004807 -0.392267 0.278951 -0.321700 5C 1f-3 -0.067417 0.023260 0.033508 -0.342122 0.252836 -0.313170 6C 1s -0.015607 0.018162 -0.003163 0.005973 -0.002265 -0.007545 6C 2s -0.027205 0.031468 0.002560 0.014812 -0.002558 -0.015693 6C 3s -0.055256 0.070524 -0.229145 -0.097198 -0.047600 0.044990 6C 4s 1.367013 -1.620901 0.829442 -0.279833 0.276158 0.499459 6C 5s 0.082516 -0.130219 -0.490642 -0.212165 -0.013501 0.159899 6C 1pz -0.026626 0.026193 0.006241 -0.029770 -0.050142 -0.043430 6C 1px -0.032272 0.042866 -0.020050 0.146608 0.153102 0.090304 6C 1py 0.044048 -0.055224 -0.001355 0.001030 0.029471 0.037067 6C 2pz -0.056036 0.119099 0.168935 -0.032201 -0.223384 -0.250403 6C 2px -0.111837 0.198015 0.047210 0.507363 0.596883 0.235546 6C 2py 0.217237 -0.136683 -0.276281 -0.095027 0.157000 0.308276 6C 3pz -0.191054 0.323160 -0.255090 -0.135046 -0.143098 -0.054848 6C 3px -0.192337 0.277852 -0.240776 0.148791 0.197233 0.135056 6C 3py 0.480253 -0.541819 0.483219 0.156910 0.150842 0.045946 6C 1dz2 -0.081417 0.079238 -0.030055 0.080629 0.060049 0.015018 6C 1dxz -0.094503 0.106394 -0.044919 -0.047312 -0.112215 -0.105578 6C 1dyz 0.013812 -0.008202 0.036993 -0.062003 -0.087150 -0.064954 6C 1dx2y2 0.165410 -0.197533 0.097588 -0.144726 -0.097051 -0.012787 6C 1dxy 0.044181 -0.058335 0.027642 0.151231 0.198442 0.127176 6C 2dz2 -0.230398 0.247430 -0.183211 0.222392 0.210305 0.111201 6C 2dxz -0.317028 0.393067 -0.293304 -0.282350 -0.458849 -0.364018 6C 2dyz 0.082754 -0.060489 0.083644 -0.308981 -0.326571 -0.155276 6C 2dx2y2 0.583193 -0.655899 0.499418 -0.409756 -0.287679 -0.064921 6C 2dxy 0.180396 -0.251364 0.180320 0.558165 0.729801 0.491237 6C 1f0 -0.007604 0.008195 -0.030084 -0.124746 -0.137742 -0.090221 6C 1f+1 -0.014647 -0.019574 -0.008083 0.063601 0.067085 0.041253 6C 1f-1 -0.035685 0.005785 -0.018013 0.138495 0.157557 0.099705 6C 1f+2 -0.052587 0.062281 -0.071031 0.320551 0.354393 0.229472 6C 1f-2 -0.012318 0.017497 -0.024530 -0.133544 -0.151132 -0.084344 6C 1f+3 -0.018560 -0.013195 0.004599 0.352078 0.380759 0.224514 6C 1f-3 -0.067190 0.023563 -0.033954 0.305079 0.345860 0.224860 7C 1s 0.018003 0.014573 -0.003621 -0.007024 -0.000987 0.006801 7C 2s 0.030857 0.024565 0.001596 -0.013815 -0.000837 0.013345 7C 3s 0.075871 0.075159 -0.224128 0.011508 -0.038949 -0.013270 7C 4s -1.613129 -1.332210 0.850878 0.552957 0.186466 -0.504682 7C 5s -0.146995 -0.025496 -0.487049 0.090191 0.006242 -0.130910 7C 1pz 0.056726 0.042947 0.002041 -0.047323 -0.038268 0.059986 7C 1px 0.012165 0.008448 -0.016195 0.090728 0.133908 -0.141370 7C 1py 0.036074 0.032245 -0.003903 0.005239 0.026416 -0.016393 7C 2pz 0.176572 0.182631 0.274195 -0.292244 -0.259582 0.385985 7C 2px -0.006213 0.018016 -0.028663 0.259456 0.523742 -0.448589 7C 2py 0.165183 0.045784 0.151947 -0.078561 0.049053 0.062424 7C 3pz 0.536166 0.467097 -0.501267 -0.051895 -0.113136 0.121471 7C 3px 0.155185 0.120529 -0.126923 0.122748 0.194369 -0.202903 7C 3py 0.413747 0.247412 -0.332323 0.021243 0.015309 -0.005139 7C 1dz2 0.105955 0.081462 -0.069934 0.032491 0.098158 -0.077105 7C 1dxz 0.114137 0.084106 -0.033608 -0.142361 -0.168166 0.205113 7C 1dyz 0.044025 0.042859 -0.050232 0.002851 0.008343 -0.000281 7C 1dx2y2 -0.168955 -0.149555 0.078161 0.054412 -0.008431 -0.036178 7C 1dxy -0.061771 -0.055982 0.035022 -0.067290 -0.126959 0.099543 7C 2dz2 0.365955 0.324288 -0.326468 0.105771 0.318200 -0.239963 7C 2dxz 0.416474 0.303347 -0.239760 -0.524039 -0.652228 0.741718 7C 2dyz 0.202500 0.174659 -0.186953 -0.057639 0.017370 0.056806 7C 2dx2y2 -0.596518 -0.501464 0.454477 0.174240 0.039188 -0.138191 7C 2dxy -0.179634 -0.177895 0.178896 -0.279997 -0.452016 0.409597 7C 1f0 -0.019679 -0.031512 0.034125 -0.181278 -0.261078 0.277859 7C 1f+1 -0.001860 -0.002031 -0.018952 0.169969 0.265877 -0.266599 7C 1f-1 -0.049449 -0.043719 0.074228 -0.047744 -0.074896 0.073248 7C 1f+2 0.030532 0.051270 -0.046502 0.124671 0.170686 -0.188998 7C 1f-2 -0.015337 0.026982 -0.011204 0.214483 0.309609 -0.315729 7C 1f+3 0.019161 0.003979 -0.016826 0.188375 0.265909 -0.272017 7C 1f-3 -0.020376 0.008522 -0.005822 0.033688 0.052195 -0.050148 8C 1s -0.002688 0.003353 -0.002661 0.001686 0.000321 -0.000948 8C 2s -0.003630 0.004492 -0.004194 0.001606 0.000102 -0.001069 8C 3s 0.080787 -0.098945 0.147298 0.023365 0.033241 0.009909 8C 4s 0.045776 -0.032834 -0.240290 -0.191260 -0.072590 0.127948 8C 5s 0.537372 -0.656949 0.724467 0.237713 0.154245 -0.048683 8C 1pz -0.009457 0.017455 -0.014444 0.019761 0.017607 0.007901 8C 1px -0.001762 0.009475 -0.009578 -0.048314 -0.059027 -0.037883 8C 1py 0.021348 -0.020783 0.027523 -0.011596 -0.006545 -0.000732 8C 2pz -0.010818 -0.024707 0.081176 -0.109615 -0.164610 -0.147166 8C 2px -0.073128 0.023916 0.037053 0.382958 0.408201 0.209859 8C 2py 0.080305 -0.087025 -0.082871 0.009536 0.109836 0.174914 8C 3pz -0.172778 0.177835 -0.139528 -0.014825 -0.029578 -0.004739 8C 3px 0.001744 -0.006571 -0.031463 -0.031404 0.005720 0.004731 8C 3py 0.103873 -0.148354 0.157674 0.048669 0.030414 -0.018057 8C 1dz2 0.000077 -0.005917 0.001488 -0.022848 -0.025370 -0.014750 8C 1dxz -0.002601 -0.004252 -0.004308 0.035598 0.043843 0.029669 8C 1dyz -0.007036 0.008597 -0.001658 0.036326 0.036259 0.016205 8C 1dx2y2 -0.008046 -0.000144 0.006615 0.039085 0.040312 0.017591 8C 1dxy 0.004450 -0.002187 0.008701 -0.053173 -0.067703 -0.045500 8C 2dz2 0.032206 -0.013429 0.035626 0.041150 0.045369 0.017332 8C 2dxz 0.040271 -0.032171 0.034916 0.043323 0.072899 0.064796 8C 2dyz -0.036436 0.018496 0.050589 0.028569 -0.004183 -0.039090 8C 2dx2y2 -0.026991 0.049159 -0.018839 -0.083710 -0.121671 -0.089483 8C 2dxy -0.023588 0.004365 0.007426 0.108463 0.121460 0.056749 8C 1f0 -0.018538 0.022974 -0.019875 0.009935 0.006785 0.003522 8C 1f+1 -0.029457 0.032391 -0.024166 0.026468 0.019124 0.005117 8C 1f-1 0.009378 -0.002651 0.005365 -0.012180 -0.012136 -0.007208 8C 1f+2 -0.005460 0.005205 -0.015800 -0.037559 -0.039177 -0.021404 8C 1f-2 0.022727 -0.026640 0.012950 -0.002565 0.009552 0.016819 8C 1f+3 -0.027307 0.034068 -0.022481 -0.030553 -0.047006 -0.039499 8C 1f-3 0.041905 -0.046052 0.034456 -0.059899 -0.052865 -0.024579 9C 1s 0.003323 0.002680 -0.002832 -0.000956 0.000700 0.000512 9C 2s 0.004478 0.003693 -0.004375 -0.001277 0.000613 0.000747 9C 3s -0.098644 -0.087966 0.144676 0.029677 0.016260 -0.023641 9C 4s -0.042776 -0.007623 -0.214089 0.056565 -0.036717 -0.069497 9C 5s -0.645532 -0.560955 0.739318 -0.033238 0.043165 0.011819 9C 1pz 0.020720 0.021748 -0.027581 0.002515 0.014818 -0.008817 9C 1px 0.004997 0.003020 -0.005401 -0.036409 -0.051345 0.052683 9C 1py 0.019364 0.009169 -0.016949 -0.012744 -0.009334 0.013016 9C 2pz 0.079834 0.039977 0.086152 -0.175250 -0.169144 0.232301 9C 2px 0.038099 0.048296 -0.001173 0.225272 0.365949 -0.337684 9C 2py 0.007160 0.035724 0.070307 -0.009245 0.029093 0.015767 9C 3pz 0.185012 0.140263 -0.177559 0.010070 -0.008834 -0.004184 9C 3px -0.084320 -0.069027 0.017043 0.014961 0.014725 -0.006863 9C 3py 0.119236 0.127626 -0.126378 -0.000736 -0.004877 0.001855 9C 1dz2 0.001447 -0.006730 -0.002013 -0.019265 -0.034114 0.029898 9C 1dxz 0.002214 0.002336 -0.010468 0.044875 0.064380 -0.065166 9C 1dyz -0.006090 -0.001466 -0.002707 0.001676 -0.005141 0.000875 9C 1dx2y2 0.006463 -0.000091 0.003564 -0.004455 -0.000952 0.006675 9C 1dxy -0.000706 0.002396 -0.001982 0.030504 0.047363 -0.048409 9C 2dz2 -0.047557 -0.008033 -0.007629 0.075740 0.087960 -0.102533 9C 2dxz -0.014733 -0.013336 0.030699 -0.023303 -0.041193 0.030414 9C 2dyz -0.014705 -0.028874 -0.044287 -0.000856 -0.033538 0.001719 9C 2dx2y2 0.050867 0.055807 -0.051673 -0.096019 -0.118812 0.119770 9C 2dxy 0.018085 0.011376 -0.024287 -0.036802 -0.068931 0.070742 9C 1f0 0.019531 0.012175 -0.013028 0.024552 0.043303 -0.040244 9C 1f+1 0.049370 0.039760 -0.036346 -0.029385 -0.021521 0.036093 9C 1f-1 -0.003189 -0.003713 0.010412 0.001763 0.005160 -0.001918 9C 1f+2 -0.030165 -0.027746 0.018763 -0.010305 -0.031141 0.022567 9C 1f-2 -0.002675 -0.006254 0.010661 -0.025219 -0.034277 0.037116 9C 1f+3 -0.001903 0.000071 -0.000564 -0.018478 -0.025567 0.026005 9C 1f-3 0.042066 0.036938 -0.034399 -0.001085 0.016607 -0.006797 10H 1s -0.008913 -0.007886 0.001349 0.051781 -0.064244 -0.058345 10H 2s -0.001646 -0.005207 0.022171 0.167484 -0.204276 -0.177134 10H 3s 0.066978 0.052983 -0.000229 0.000192 0.016163 0.000899 10H 1pz 0.011553 0.008568 0.010186 0.053403 -0.060634 -0.056317 10H 1px 0.024206 0.020457 0.013742 -0.036393 0.050560 0.041369 10H 1py 0.013357 0.010320 0.012516 0.025132 -0.029393 -0.029948 11H 1s 0.014889 0.012679 0.007486 -0.010329 0.018685 0.015615 11H 2s 0.006002 0.010454 0.003032 -0.013585 0.031805 0.020595 11H 3s -0.091729 -0.087587 -0.058857 -0.010938 0.001864 0.005114 11H 1pz 0.007152 0.003846 0.012514 -0.005788 0.008391 0.008133 11H 1px 0.009405 0.008779 0.004208 -0.006118 0.010235 0.005404 11H 1py -0.008575 -0.009549 -0.003118 -0.008713 0.005346 0.007468 12H 1s 0.005832 0.009094 0.008969 -0.029908 0.032926 0.030277 12H 2s -0.030500 -0.015187 -0.022023 -0.059699 0.067293 0.053013 12H 3s -0.041479 -0.031772 -0.033068 0.003971 0.000405 -0.000342 12H 1pz 0.001491 0.004765 0.007116 -0.008002 0.009492 0.009548 12H 1px -0.003546 -0.001447 -0.007693 -0.013946 0.017168 0.014807 12H 1py -0.005797 0.002736 0.002474 -0.021130 0.022628 0.021972 13H 1s 0.012004 -0.010582 0.002125 0.074722 -0.049838 0.057072 13H 2s 0.010958 -0.011629 0.021793 0.200927 -0.158920 0.178494 13H 3s -0.048096 0.053125 -0.005112 -0.038371 0.011404 -0.003029 13H 1pz 0.002612 -0.002278 0.006238 0.063690 -0.046226 0.050450 13H 1px -0.021535 0.025489 0.015538 -0.038992 0.024973 -0.027681 13H 1py 0.009267 -0.012408 -0.011132 -0.047952 0.039737 -0.047267 14H 1s -0.008635 0.003414 0.007998 -0.039537 0.029961 -0.040945 14H 2s 0.011221 -0.037290 -0.022087 -0.076185 0.072956 -0.085637 14H 3s 0.011996 -0.017827 -0.022936 -0.015435 0.005173 0.007687 14H 1pz -0.004178 -0.003499 0.006729 -0.013705 0.013225 -0.018658 14H 1px 0.001071 -0.010396 -0.008289 -0.030392 0.025772 -0.031848 14H 1py 0.007344 -0.005473 -0.007375 0.011881 -0.009542 0.011335 15H 1s -0.014524 0.017137 0.006768 -0.018688 0.008858 -0.006913 15H 2s -0.027090 0.019706 0.018724 -0.029472 0.019368 -0.007309 15H 3s 0.100086 -0.106967 -0.066225 -0.004054 0.013375 -0.014462 15H 1pz 0.017312 -0.015330 -0.006517 0.004273 0.001699 -0.006928 15H 1px -0.002617 0.003248 0.001856 -0.007222 0.006319 -0.008724 15H 1py 0.009516 -0.013076 -0.017650 0.004751 -0.004277 0.005216 16H 1s -0.018694 -0.032993 0.014715 0.047127 -0.028565 -0.062834 16H 2s 0.010281 -0.016304 0.086913 0.069101 -0.040198 -0.125032 16H 3s 0.014396 0.034266 -0.054129 -0.025160 0.051185 0.014019 16H 1pz -0.005497 -0.021349 0.030094 0.048071 -0.028563 -0.072131 16H 1px -0.007759 -0.013384 -0.005584 -0.002695 0.005046 0.010572 16H 1py -0.009809 -0.010424 0.011569 0.014285 -0.015420 -0.032902 17H 1s -0.010619 0.033946 0.017583 -0.036715 -0.030109 0.004640 17H 2s 0.020666 0.009993 0.091993 -0.032748 -0.038792 -0.067260 17H 3s 0.006945 -0.026651 -0.055536 0.002124 0.056786 -0.004870 17H 1pz 0.000892 -0.023192 -0.021678 0.023977 0.019620 0.007535 17H 1px -0.004202 0.000419 -0.025063 0.021035 0.019136 0.022905 17H 1py -0.004771 0.015296 0.017614 -0.013572 -0.019984 -0.016574 18H 1s 0.010843 -0.033764 0.016677 -0.035969 0.023697 -0.012703 18H 2s -0.018905 -0.008499 0.089148 -0.025688 0.020705 -0.094518 18H 3s -0.006339 0.026654 -0.055291 0.010230 -0.055888 0.005794 18H 1pz 0.001160 -0.023452 0.021571 -0.023629 0.014381 -0.018900 18H 1px -0.003347 0.000942 0.024012 -0.018868 0.011269 -0.034993 18H 1py -0.004896 0.014541 -0.016223 0.012054 -0.014026 0.026090 19H 1s 0.018332 0.033712 0.014612 0.041873 0.026349 -0.053985 19H 2s -0.011911 0.019065 0.086229 0.063823 0.032567 -0.101922 19H 3s -0.015055 -0.034013 -0.054009 -0.017085 -0.052070 0.021092 19H 1pz -0.004611 -0.022209 -0.029373 -0.043101 -0.024666 0.060102 19H 1px -0.008161 -0.012673 0.005838 0.002481 0.004197 -0.009434 19H 1py -0.009916 -0.011490 -0.012243 -0.013191 -0.013356 0.030639 20H 1s 0.014487 -0.017042 0.006798 -0.017821 -0.012946 -0.003743 20H 2s 0.026361 -0.018884 0.017975 -0.026928 -0.025188 -0.002170 20H 3s -0.099511 0.105813 -0.065684 -0.002421 -0.015964 -0.010715 20H 1pz 0.017047 -0.015081 0.006308 -0.004430 0.002074 0.006339 20H 1px -0.002711 0.003316 -0.001816 0.006516 0.008763 0.006561 20H 1py 0.009372 -0.012745 0.017475 -0.004252 -0.005865 -0.003890 21H 1s 0.008769 -0.003638 0.008039 -0.034952 -0.041006 -0.029789 21H 2s -0.011895 0.037015 -0.022448 -0.064545 -0.094437 -0.060288 21H 3s -0.013047 0.019274 -0.023325 -0.014700 -0.006492 0.008424 21H 1pz -0.004081 -0.003587 -0.006675 0.011533 0.017528 0.013876 21H 1px 0.001132 -0.010089 0.008248 0.026294 0.034063 0.022466 21H 1py 0.007146 -0.005169 0.007301 -0.010418 -0.012705 -0.007738 22H 1s -0.011953 0.010736 0.002135 0.067759 0.068956 0.039778 22H 2s -0.010358 0.011066 0.022611 0.179657 0.214381 0.124284 22H 3s 0.048596 -0.053728 -0.004997 -0.037141 -0.017725 0.002171 22H 1pz 0.002422 -0.002097 -0.006355 -0.057123 -0.062548 -0.034358 22H 1px -0.021704 0.025610 -0.015519 0.035880 0.034922 0.018936 22H 1py 0.009416 -0.012490 0.011313 0.042841 0.053822 0.033632 23H 1s -0.006253 -0.009242 0.009045 -0.023081 -0.031738 0.030104 23H 2s 0.029748 0.015080 -0.021910 -0.045182 -0.065141 0.053079 23H 3s 0.043641 0.033935 -0.034010 0.003882 -0.000162 -0.000779 23H 1pz 0.000957 0.004324 -0.006944 0.006220 0.008912 -0.009638 23H 1px -0.003212 -0.001254 0.007472 0.010212 0.016270 -0.014668 23H 1py -0.005433 0.002872 -0.002647 0.016254 0.021442 -0.021770 24H 1s -0.014688 -0.012474 0.007580 -0.007387 -0.018185 0.016811 24H 2s -0.004621 -0.008543 0.001241 -0.008723 -0.031236 0.023902 24H 3s 0.090144 0.085799 -0.057773 -0.009558 -0.002886 0.002992 24H 1pz 0.006805 0.003397 -0.012133 0.004572 0.008170 -0.009005 24H 1px 0.009068 0.008359 -0.003723 0.004439 0.010488 -0.006328 24H 1py -0.008099 -0.008963 0.002783 0.007573 0.005652 -0.007425 25H 1s 0.009119 0.007889 0.001165 0.039894 0.062454 -0.060289 25H 2s 0.000812 0.004576 0.022644 0.129537 0.201123 -0.183108 25H 3s -0.068124 -0.053105 0.000004 0.003644 -0.016096 0.001036 25H 1pz 0.011660 0.008639 -0.010253 -0.042219 -0.059902 0.057759 25H 1px 0.024302 0.020358 -0.013836 0.027031 0.049252 -0.043093 25H 1py 0.013769 0.010545 -0.012571 -0.019405 -0.027874 0.030001 26O 1s -0.004001 -0.003633 0.000071 0.001968 -0.003820 -0.002535 26O 2s -0.013808 -0.012531 -0.001365 0.007359 -0.013899 -0.009378 26O 3s 0.198558 0.180699 0.045655 -0.102412 0.188881 0.130108 26O 4s -0.525997 -0.505567 -0.202460 0.394754 -0.580318 -0.479704 26O 5s -0.855869 -0.604482 -0.714995 -0.269517 -0.200847 0.252692 26O 1pz -0.061732 -0.051206 -0.052903 -0.063810 0.056462 0.067526 26O 1px -0.045980 -0.040578 0.000299 0.051661 -0.092150 -0.062922 26O 1py -0.057613 -0.042143 -0.031951 -0.019010 0.000704 0.019153 26O 2pz 0.269544 0.204765 0.219541 0.359239 -0.339884 -0.399783 26O 2px 0.353627 0.307584 0.157322 -0.233115 0.428760 0.282861 26O 2py 0.292632 0.241478 0.191018 0.142235 -0.049996 -0.132651 26O 3pz 0.079483 0.042765 -0.132214 -0.146028 0.163481 0.192393 26O 3px 0.270686 0.188910 -0.047974 -0.126549 0.335608 0.161533 26O 3py 0.120026 0.135660 -0.085597 -0.165637 0.211254 0.147607 26O 1dz2 0.049614 -0.004411 0.094733 0.115563 -0.171830 -0.192902 26O 1dxz 0.330261 0.233003 0.288384 0.126891 -0.090712 -0.159621 26O 1dyz 0.185125 0.161157 0.159977 0.239041 -0.175630 -0.233965 26O 1dx2y2 -0.076619 -0.124334 -0.189131 -0.164974 0.166321 0.122542 26O 1dxy 0.168189 0.150451 0.075159 0.059347 0.023792 -0.039020 26O 2dz2 0.014847 0.061832 -0.069382 -0.182789 0.275521 0.270385 26O 2dxz -0.420432 -0.286699 -0.349757 -0.350235 0.320845 0.411655 26O 2dyz -0.224527 -0.182771 -0.188434 -0.370109 0.313376 0.382286 26O 2dx2y2 0.018610 0.078038 0.177739 0.311944 -0.360644 -0.286673 26O 2dxy -0.278128 -0.250861 -0.135850 -0.132863 0.009164 0.107180 26O 1f0 -0.109414 -0.061233 -0.072042 -0.150795 0.157089 0.189161 26O 1f+1 -0.030680 -0.032376 -0.002754 0.129884 -0.166872 -0.147055 26O 1f-1 -0.048593 -0.048208 -0.019921 -0.015345 -0.015713 0.013945 26O 1f+2 0.105815 0.080368 0.084472 0.108672 -0.088614 -0.112281 26O 1f-2 0.078169 0.049982 0.041380 0.200626 -0.204791 -0.220467 26O 1f+3 0.035684 0.048036 0.059610 0.165063 -0.178855 -0.168493 26O 1f-3 -0.079822 -0.076033 -0.019038 -0.011221 -0.035624 -0.003639 27O 1s 0.004088 -0.004513 0.000037 0.006160 -0.002740 0.002170 27O 2s 0.014130 -0.015529 -0.001294 0.021563 -0.010176 0.008324 27O 3s -0.201927 0.222388 0.042637 -0.286048 0.138777 -0.118921 27O 4s 0.547835 -0.578070 -0.192552 0.780368 -0.430826 0.466752 27O 5s 0.724991 -0.970651 -0.620151 0.447569 -0.169694 -0.257946 27O 1pz 0.020101 -0.033616 -0.033355 -0.055096 0.042791 -0.051918 27O 1px 0.063072 -0.071256 -0.004080 0.126302 -0.069436 0.048914 27O 1py -0.053971 0.066745 0.051048 0.039059 -0.039643 0.059313 27O 2pz -0.074993 0.112111 0.120638 0.309537 -0.233567 0.298772 27O 2px -0.415492 0.472188 0.173982 -0.550894 0.304460 -0.219117 27O 2py 0.229532 -0.311193 -0.229359 -0.285966 0.243626 -0.345511 27O 3pz -0.040918 -0.010610 -0.040440 -0.027716 0.032638 -0.107622 27O 3px -0.292856 0.362370 -0.058006 -0.439301 0.319599 -0.163715 27O 3py 0.086720 -0.124459 0.088949 0.217540 -0.143601 0.154370 27O 1dz2 0.049187 -0.117246 0.004123 0.067874 -0.026076 0.004244 27O 1dxz -0.198029 0.186013 0.228327 0.093941 -0.121894 0.173218 27O 1dyz 0.055452 -0.051692 -0.047616 -0.145113 0.116409 -0.204845 27O 1dx2y2 -0.005598 -0.045274 -0.162023 -0.318545 0.189202 -0.152605 27O 1dxy 0.266219 -0.365435 -0.278906 -0.046740 0.117749 -0.182772 27O 2dz2 -0.122741 0.201724 0.029640 -0.119754 0.044267 0.002091 27O 2dxz 0.213081 -0.205930 -0.263864 -0.308428 0.287795 -0.379760 27O 2dyz -0.052159 0.048123 0.049399 0.189543 -0.155815 0.253258 27O 2dx2y2 0.111106 -0.063424 0.135156 0.544420 -0.336903 0.292461 27O 2dxy -0.337267 0.487218 0.354890 0.265593 -0.304840 0.430978 27O 1f0 0.031149 -0.023610 -0.047441 -0.119895 0.101648 -0.119500 27O 1f+1 0.063864 -0.069818 -0.009824 0.069038 -0.028377 0.001828 27O 1f-1 -0.036917 0.042776 0.024974 0.071266 -0.063071 0.099696 27O 1f+2 -0.060387 0.067688 0.070725 0.177047 -0.132129 0.179693 27O 1f-2 -0.023444 0.026328 0.028033 -0.110347 0.079674 -0.096186 27O 1f+3 0.045840 -0.021966 0.029174 0.273663 -0.188635 0.196629 27O 1f-3 -0.109150 0.173222 0.100939 0.181207 -0.158645 0.217874 28O 1s -0.004103 -0.003228 0.000833 -0.005276 0.004368 0.005817 28O 2s -0.014077 -0.010987 0.001628 -0.018633 0.015930 0.020459 28O 3s 0.204486 0.160026 0.001669 0.257424 -0.227653 -0.281741 28O 4s -0.556181 -0.424833 -0.071309 -0.743227 0.737407 0.823604 28O 5s -0.842568 -0.702272 -0.574472 -0.547555 0.359472 0.521334 28O 1pz -0.083536 -0.072454 -0.041324 -0.036939 0.015306 0.034424 28O 1px 0.017096 0.006000 -0.043002 0.103438 -0.106220 -0.114731 28O 1py -0.047076 -0.037612 -0.040668 0.016886 -0.032169 -0.024226 28O 2pz 0.464081 0.392776 0.269998 0.138293 -0.042373 -0.106883 28O 2px -0.213165 -0.148286 0.062167 -0.542875 0.567712 0.602982 28O 2py 0.198115 0.183681 0.187261 -0.135235 0.191278 0.160677 28O 3pz 0.266344 0.181107 -0.151623 0.265494 -0.360159 -0.322488 28O 3px -0.222340 -0.180595 0.049716 -0.259513 0.291128 0.245632 28O 3py 0.046780 0.079261 -0.086239 0.096966 -0.103947 -0.071156 28O 1dz2 0.317389 0.222502 0.275210 0.011819 0.140524 0.082667 28O 1dxz -0.116584 -0.105204 0.036222 -0.180270 0.144584 0.213756 28O 1dyz 0.201902 0.226070 0.215539 -0.106054 0.167059 0.099953 28O 1dx2y2 -0.128821 -0.143140 -0.249224 0.126606 -0.149065 -0.115108 28O 1dxy -0.135848 -0.144413 -0.133515 -0.049609 0.010624 0.068564 28O 2dz2 -0.401284 -0.298506 -0.363318 0.132636 -0.343749 -0.258302 28O 2dxz 0.259827 0.220302 0.011196 0.276811 -0.219338 -0.307761 28O 2dyz -0.250809 -0.284000 -0.272818 0.203330 -0.305317 -0.212945 28O 2dx2y2 0.102023 0.128325 0.290900 -0.310541 0.365675 0.326296 28O 2dxy 0.190067 0.209116 0.189155 -0.026652 0.089398 0.016343 28O 1f0 0.026608 0.029781 0.063278 -0.147838 0.169274 0.161785 28O 1f+1 -0.173710 -0.135897 -0.120376 0.073134 -0.147568 -0.115332 28O 1f-1 0.008212 0.019550 0.014681 -0.085368 0.109422 0.091247 28O 1f+2 0.045618 0.036861 -0.033319 0.134318 -0.148355 -0.159903 28O 1f-2 -0.092535 -0.105279 -0.083280 0.123050 -0.159902 -0.140448 28O 1f+3 -0.044105 -0.049925 -0.087939 0.132130 -0.156536 -0.148746 28O 1f-3 -0.065890 -0.076542 -0.069766 0.016575 -0.032564 -0.009722 29O 1s 0.000653 -0.000062 0.001516 0.000130 0.000481 0.000810 29O 2s 0.001978 -0.000123 0.003628 0.000217 0.001898 0.003065 29O 3s -0.025327 0.000664 -0.029641 0.000289 -0.033628 -0.055037 29O 4s 0.068803 0.000255 0.095334 0.003925 0.069643 0.130845 29O 5s -0.095951 0.004627 -0.342880 -0.057522 0.128834 0.090370 29O 1pz 0.003480 0.012939 -0.006414 -0.019691 0.004098 0.016768 29O 1px -0.004582 0.004278 0.016404 -0.003897 -0.008491 -0.001932 29O 1py 0.000838 -0.000694 -0.010459 -0.000384 0.012519 0.010092 29O 2pz -0.015811 -0.064933 0.028273 0.100910 -0.018182 -0.086975 29O 2px 0.010161 -0.023349 -0.077029 0.021785 0.037746 0.022064 29O 2py -0.011501 0.004912 0.053769 0.002706 -0.060837 -0.063212 29O 3pz -0.000239 0.036181 -0.044798 0.014585 0.017005 -0.010515 29O 3px 0.014844 0.014324 0.132081 0.027544 -0.043708 0.001637 29O 3py 0.029117 -0.003701 0.033931 -0.000360 0.023098 -0.051292 29O 1dz2 -0.014540 -0.037718 0.009703 0.017716 -0.017896 -0.035152 29O 1dxz 0.009550 0.046495 0.007486 -0.002972 -0.023575 -0.006569 29O 1dyz -0.012834 0.002831 -0.000396 0.037378 -0.005823 -0.027170 29O 1dx2y2 -0.001141 0.026550 0.004949 -0.000626 0.022964 0.002411 29O 1dxy 0.044163 -0.012320 -0.003762 0.012990 0.015804 -0.012227 29O 2dz2 0.018731 0.047958 -0.025181 -0.041784 0.033811 0.073296 29O 2dxz -0.008379 -0.054649 -0.021597 0.018638 0.035453 0.011061 29O 2dyz 0.014312 0.017049 -0.000637 -0.072489 0.007521 0.052085 29O 2dx2y2 0.000451 -0.028483 0.001172 0.006937 -0.025516 -0.010648 29O 2dxy -0.038773 0.019288 0.019210 -0.024708 -0.029069 0.003272 29O 1f0 -0.008433 -0.002812 0.011764 0.002802 -0.014647 -0.021439 29O 1f+1 0.002810 -0.000945 -0.002682 0.002039 0.003853 0.006181 29O 1f-1 -0.006984 -0.017053 0.018480 0.021677 -0.019617 -0.038605 29O 1f+2 0.006060 0.003248 -0.001558 -0.011071 0.002902 0.016001 29O 1f-2 -0.003450 0.024733 0.015280 -0.018051 -0.016498 -0.002832 29O 1f+3 0.002291 -0.006180 -0.002481 0.007179 0.000564 0.002563 29O 1f-3 -0.007708 -0.011244 -0.002856 0.009194 0.002885 -0.001813 30O 1s 0.003157 -0.003786 0.001077 -0.003379 0.003912 -0.005970 30O 2s 0.010682 -0.012897 0.002225 -0.012707 0.014104 -0.020968 30O 3s -0.153792 0.186025 -0.003384 0.187856 -0.200477 0.287050 30O 4s 0.395655 -0.507302 -0.067607 -0.697904 0.638730 -0.826832 30O 5s 0.687087 -0.716988 -0.612964 0.005416 0.334528 -0.557080 30O 1pz 0.042514 -0.051788 -0.019708 -0.003210 0.020372 -0.037357 30O 1px 0.006771 -0.004507 -0.050697 0.099597 -0.088704 0.120416 30O 1py -0.071616 0.075058 0.044452 -0.020340 -0.006961 0.021373 30O 2pz -0.262672 0.285849 0.161722 0.007724 -0.094151 0.138393 30O 2px 0.067140 -0.106100 0.097984 -0.556117 0.487663 -0.632845 30O 2py 0.367449 -0.401631 -0.270162 0.148506 0.007597 -0.044216 30O 3pz -0.164588 0.135891 -0.136930 0.156535 -0.230562 0.273683 30O 3px 0.146429 -0.147882 0.012371 -0.087020 0.209231 -0.242789 30O 3py 0.138611 -0.194208 0.183544 -0.252423 0.284057 -0.281315 30O 1dz2 -0.100147 0.040200 0.100929 0.034087 0.010621 -0.043875 30O 1dxz -0.004542 0.011524 0.118041 -0.102121 0.104801 -0.171042 30O 1dyz 0.266786 -0.247523 -0.188548 0.187360 -0.067331 0.047167 30O 1dx2y2 0.260483 -0.340123 -0.364415 0.219703 -0.122481 0.094532 30O 1dxy -0.048963 0.074109 -0.046164 0.142925 -0.131960 0.215220 30O 2dz2 0.121171 -0.043671 -0.125704 0.064426 -0.087347 0.139231 30O 2dxz -0.059717 0.051770 -0.108841 0.200780 -0.205373 0.295207 30O 2dyz -0.374798 0.353376 0.263351 -0.345778 0.152568 -0.129133 30O 2dx2y2 -0.330818 0.399985 0.453841 -0.538948 0.352809 -0.362059 30O 2dxy 0.133432 -0.178342 0.007018 -0.166526 0.187936 -0.292299 30O 1f0 0.009559 -0.015282 0.026778 -0.027730 0.029086 -0.055072 30O 1f+1 0.071222 -0.046790 -0.056024 0.042877 -0.030111 0.037927 30O 1f-1 0.041893 -0.032499 -0.028416 0.108014 -0.069136 0.073582 30O 1f+2 0.071779 -0.072540 -0.092161 0.254669 -0.187607 0.216067 30O 1f-2 -0.118016 0.113528 0.043146 -0.081518 0.014757 -0.008201 30O 1f+3 0.135405 -0.159340 -0.133964 0.216376 -0.121609 0.131689 30O 1f-3 0.020810 0.001100 -0.045951 0.203703 -0.162065 0.210529 31O 1s -0.003130 0.003787 0.001089 -0.002779 -0.005246 -0.004814 31O 2s -0.010599 0.012895 0.002262 -0.010539 -0.018910 -0.016789 31O 3s 0.152845 -0.185914 -0.003796 0.157016 0.268354 0.228006 31O 4s -0.394927 0.506990 -0.066985 -0.603329 -0.856898 -0.625187 31O 5s -0.682947 0.713866 -0.610275 0.070751 -0.413341 -0.518262 31O 1pz 0.042301 -0.051761 0.019664 -0.000042 0.026266 0.032488 31O 1px 0.007378 -0.004588 0.051038 -0.086164 -0.119826 -0.091925 31O 1py -0.071487 0.074998 -0.044512 0.021769 -0.007115 -0.021546 31O 2pz -0.262014 0.285569 -0.161746 0.007436 -0.115503 -0.119363 31O 2px 0.065139 -0.105410 -0.099211 0.482435 0.656459 0.477921 31O 2py 0.366985 -0.401288 0.270646 -0.151680 -0.007153 0.057975 31O 3pz -0.161680 0.135793 0.138586 -0.120343 -0.290322 -0.215123 31O 3px 0.143442 -0.146968 -0.014104 0.050055 0.254886 0.207827 31O 3py 0.135687 -0.194323 -0.185217 0.208675 0.357532 0.203840 31O 1dz2 0.101039 -0.039994 0.101149 0.036651 -0.011493 -0.044973 31O 1dxz 0.006367 -0.011571 0.118980 -0.085450 -0.143647 -0.139838 31O 1dyz -0.267019 0.247585 -0.189031 0.180779 0.100177 0.008017 31O 1dx2y2 -0.262565 0.340200 -0.365826 0.202772 0.165805 0.048239 31O 1dxy 0.047876 -0.074022 -0.046736 0.122239 0.182946 0.173255 31O 2dz2 -0.122256 0.043637 -0.126094 0.050366 0.115579 0.114860 31O 2dxz 0.057397 -0.051500 -0.110005 0.168713 0.275866 0.234551 31O 2dyz 0.374771 -0.353553 0.264045 -0.328061 -0.219274 -0.053811 31O 2dx2y2 0.333264 -0.400432 0.455763 -0.488669 -0.479165 -0.234998 31O 2dxy -0.131900 0.178104 0.007639 -0.136623 -0.252999 -0.237466 31O 1f0 0.008844 -0.015171 -0.027033 0.023073 0.040854 0.045961 31O 1f+1 0.071361 -0.046789 0.056117 -0.038348 -0.041305 -0.027398 31O 1f-1 0.041863 -0.032652 0.028564 -0.098075 -0.094865 -0.048943 31O 1f+2 0.072153 -0.072835 0.092693 -0.227066 -0.254263 -0.152600 31O 1f-2 -0.117528 0.113555 -0.043152 0.080424 0.027764 -0.004079 31O 1f+3 0.135756 -0.159506 0.134467 -0.199171 -0.171028 -0.085331 31O 1f-3 0.021248 0.000878 0.046280 -0.179442 -0.220779 -0.156404 32O 1s -0.000650 0.000064 0.001525 0.000145 -0.000321 0.000883 32O 2s -0.001969 0.000116 0.003669 0.000289 -0.001341 0.003331 32O 3s 0.025197 -0.000281 -0.030432 -0.001040 0.024348 -0.059327 32O 4s -0.068335 -0.000884 0.097083 0.005855 -0.047075 0.139509 32O 5s 0.094839 -0.008608 -0.340402 -0.044463 -0.121335 0.104637 32O 1pz 0.003301 0.013127 0.006260 0.018030 0.004572 -0.011826 32O 1px -0.004593 0.004143 -0.016302 0.004144 -0.007405 0.005254 32O 1py 0.000887 -0.000204 0.010239 -0.000337 0.010737 -0.012453 32O 2pz -0.014529 -0.066102 -0.027495 -0.092125 -0.020783 0.056206 32O 2px 0.010522 -0.022536 0.076333 -0.021081 0.030038 -0.039158 32O 2py -0.011802 0.002396 -0.052470 -0.000713 -0.050184 0.074617 32O 3pz 0.001148 0.035789 0.044218 -0.014754 0.014369 -0.004162 32O 3px 0.015054 0.013719 -0.132112 -0.019544 -0.048201 0.001156 32O 3py 0.028887 -0.004079 -0.033251 -0.006454 0.030650 0.045942 32O 1dz2 0.014439 0.038265 0.009522 0.014568 0.015070 -0.032266 32O 1dxz -0.009746 -0.046372 0.007134 -0.004941 0.021283 -0.013778 32O 1dyz 0.011991 -0.002296 0.000613 0.034232 0.008316 -0.017738 32O 1dx2y2 0.001162 -0.026664 0.005194 0.002499 -0.022123 0.005077 32O 1dxy -0.044549 0.011806 -0.003201 0.013329 -0.014857 -0.004609 32O 2dz2 -0.018230 -0.048212 -0.024919 -0.034663 -0.028857 0.064304 32O 2dxz 0.008408 0.054796 -0.020932 0.020261 -0.029465 0.026450 32O 2dyz -0.013094 -0.018283 -0.002500 -0.066825 -0.012825 0.031297 32O 2dx2y2 -0.000471 0.029256 0.000774 0.004094 0.024414 -0.011778 32O 2dxy 0.039398 -0.018149 0.017930 -0.023816 0.024190 -0.011248 32O 1f0 -0.008017 -0.002152 -0.010497 -0.000930 -0.010703 0.020412 32O 1f+1 0.003230 -0.001607 0.003218 -0.002040 0.003003 -0.009403 32O 1f-1 -0.007120 -0.017557 -0.018728 -0.018955 -0.017425 0.036304 32O 1f+2 0.005923 0.003319 0.002420 0.010707 0.003069 -0.014482 32O 1f-2 -0.003282 0.024928 -0.014555 0.017882 -0.012213 0.011879 32O 1f+3 0.002511 -0.005220 0.001805 -0.005140 -0.001491 -0.004919 32O 1f-3 -0.007785 -0.011170 0.002575 -0.008722 0.001334 -0.001621 33O 1s 0.004099 0.003218 0.000847 -0.004482 -0.004199 0.006032 33O 2s 0.014063 0.010957 0.001677 -0.015741 -0.015342 0.021242 33O 3s -0.204380 -0.159675 0.001073 0.216142 0.219705 -0.292797 33O 4s 0.556591 0.424675 -0.069938 -0.606946 -0.713218 0.846032 33O 5s 0.844753 0.697894 -0.573974 -0.492571 -0.355596 0.587782 33O 1pz -0.083597 -0.072064 0.041330 0.034348 0.015363 -0.036206 33O 1px 0.016763 0.006218 0.043390 -0.084101 -0.102407 0.120069 33O 1py -0.047558 -0.037556 0.041032 -0.010783 -0.030384 0.024961 33O 2pz 0.464918 0.390672 -0.270377 -0.131868 -0.046748 0.115308 33O 2px -0.212237 -0.149051 -0.063698 0.439332 0.548298 -0.628697 33O 2py 0.200508 0.183411 -0.189133 0.098759 0.183655 -0.164393 33O 3pz 0.265342 0.180984 0.152001 -0.201062 -0.342098 0.347841 33O 3px -0.222685 -0.179970 -0.050904 0.211929 0.286345 -0.285581 33O 3py 0.047337 0.080154 0.086417 -0.076754 -0.106015 0.072184 33O 1dz2 -0.318392 -0.220227 0.275782 0.037553 -0.123090 0.085210 33O 1dxz 0.116085 0.104821 0.036481 -0.155065 -0.135412 0.225741 33O 1dyz -0.204108 -0.225047 0.216998 -0.072123 -0.165190 0.096912 33O 1dx2y2 0.130378 0.142431 -0.250601 0.099946 0.147451 -0.127482 33O 1dxy 0.136996 0.144352 -0.134126 -0.047765 -0.008078 0.066267 33O 2dz2 0.402838 0.295169 -0.364557 0.068437 0.317735 -0.264298 33O 2dxz -0.259381 -0.219501 0.010908 0.238487 0.208783 -0.326246 33O 2dyz 0.253932 0.282724 -0.275031 0.143073 0.298913 -0.211594 33O 2dx2y2 -0.104293 -0.127301 0.293122 -0.244152 -0.356209 0.347068 33O 2dxy -0.192164 -0.208962 0.190454 -0.009482 -0.088982 0.020427 33O 1f0 0.026959 0.029012 -0.063775 0.115949 0.163255 -0.166905 33O 1f+1 -0.174425 -0.134683 0.121109 -0.045635 -0.138660 0.117976 33O 1f-1 0.008637 0.019431 -0.015156 0.065183 0.106811 -0.095134 33O 1f+2 0.045063 0.036795 0.033912 -0.107644 -0.141443 0.167827 33O 1f-2 -0.093922 -0.104936 0.084251 -0.092674 -0.154831 0.142793 33O 1f+3 -0.045116 -0.049642 0.088925 -0.103417 -0.151423 0.155122 33O 1f-3 -0.066595 -0.076432 0.070141 -0.010259 -0.032879 0.011173 34O 1s -0.004070 0.004522 0.000031 0.005713 0.003937 0.001270 34O 2s -0.014077 0.015560 -0.001324 0.019916 0.014460 0.005012 34O 3s 0.201369 -0.222759 0.043209 -0.263473 -0.196639 -0.073820 34O 4s -0.547556 0.579068 -0.194725 0.713503 0.607791 0.314465 34O 5s -0.723364 0.968965 -0.620153 0.407842 0.194202 -0.258007 34O 1pz 0.020392 -0.033522 0.033418 0.048768 0.058129 0.037598 34O 1px 0.062543 -0.071423 0.004249 -0.115302 -0.094363 -0.027497 34O 1py -0.054175 0.066687 -0.051185 -0.033464 -0.053863 -0.045597 34O 2pz -0.076103 0.111565 -0.120673 -0.275139 -0.320791 -0.218598 34O 2px -0.413972 0.472487 -0.175366 0.501807 0.413075 0.124764 34O 2py 0.230550 -0.310763 0.229916 0.251513 0.334856 0.260173 34O 3pz -0.040868 -0.010766 0.040442 0.023929 0.052319 0.088206 34O 3px -0.290653 0.362127 0.058272 0.384308 0.404698 0.090729 34O 3py 0.086555 -0.124923 -0.088761 -0.196491 -0.196261 -0.103389 34O 1dz2 -0.048660 0.117437 0.003987 0.061784 0.036776 0.002232 34O 1dxz 0.199520 -0.185660 0.228855 0.076019 0.160131 0.133480 34O 1dyz -0.055946 0.051325 -0.047494 -0.129503 -0.166482 -0.155880 34O 1dx2y2 0.003608 0.044860 -0.162297 -0.288820 -0.256976 -0.095658 34O 1dxy -0.267526 0.365181 -0.279513 -0.031492 -0.150530 -0.140264 34O 2dz2 0.122063 -0.201894 0.029988 -0.109849 -0.061234 0.007574 34O 2dxz -0.215041 0.205235 -0.264221 -0.266484 -0.386048 -0.282079 34O 2dyz 0.052692 -0.047697 0.049198 0.168464 0.218888 0.189709 34O 2dx2y2 -0.108547 0.063945 0.135014 0.491944 0.456610 0.188236 34O 2dxy 0.339026 -0.486671 0.355528 0.224193 0.404300 0.321501 34O 1f0 0.031419 -0.023308 0.047381 0.104706 0.135678 0.086640 34O 1f+1 0.063544 -0.069905 0.009986 -0.063962 -0.038326 0.005504 34O 1f-1 -0.037060 0.042653 -0.024944 -0.062330 -0.087631 -0.076681 34O 1f+2 -0.061129 0.067394 -0.070773 -0.157865 -0.183358 -0.132750 34O 1f-2 -0.023563 0.026522 -0.028297 0.098706 0.108857 0.068059 34O 1f+3 0.045094 -0.022291 -0.028938 -0.245296 -0.255740 -0.135288 34O 1f-3 -0.109625 0.172925 -0.101035 -0.158588 -0.215662 -0.162015 35O 1s 0.004022 0.003626 0.000048 0.001303 0.003653 -0.002779 35O 2s 0.013885 0.012500 -0.001445 0.004927 0.013292 -0.010257 35O 3s -0.199613 -0.180246 0.046777 -0.069340 -0.180270 0.142464 35O 4s 0.529362 0.504410 -0.206099 0.289372 0.553885 -0.504901 35O 5s 0.858614 0.600190 -0.715673 -0.290657 0.186952 0.178668 35O 1pz -0.061801 -0.050988 0.052759 0.053105 0.055164 -0.068026 35O 1px -0.046156 -0.040336 -0.000005 -0.035244 -0.088645 0.067923 35O 1py -0.057985 -0.042128 0.032157 0.018592 0.000935 -0.017700 35O 2pz 0.269563 0.203977 -0.218575 -0.294898 -0.329051 0.402800 35O 2px 0.354863 0.306119 -0.159106 0.157027 0.411390 -0.309384 35O 2py 0.294292 0.241389 -0.191944 -0.131195 -0.052698 0.125771 35O 3pz 0.079244 0.043562 0.131767 0.115685 0.152938 -0.194261 35O 3px 0.270908 0.188783 0.047048 0.074074 0.321036 -0.205863 35O 3py 0.120083 0.136499 0.085335 0.129099 0.209896 -0.164224 35O 1dz2 -0.049377 0.004686 0.094191 0.084544 0.156775 -0.196902 35O 1dxz -0.331255 -0.231365 0.288329 0.109336 0.085292 -0.155455 35O 1dyz -0.185730 -0.160335 0.159813 0.203623 0.174634 -0.227951 35O 1dx2y2 0.077964 0.124356 -0.189637 -0.135053 -0.170244 0.132199 35O 1dxy -0.169358 -0.150213 0.075692 0.060658 -0.019737 -0.027745 35O 2dz2 -0.015401 -0.061954 -0.068399 -0.132943 -0.256472 0.279621 35O 2dxz 0.421075 0.284874 -0.348897 -0.288764 -0.307525 0.409215 35O 2dyz 0.224993 0.181905 -0.187846 -0.308440 -0.307857 0.377118 35O 2dx2y2 -0.019854 -0.078505 0.177663 0.246867 0.358566 -0.305152 35O 2dxy 0.279711 0.250597 -0.136554 -0.126631 -0.014534 0.091216 35O 1f0 -0.109274 -0.060930 0.071507 0.121166 0.148801 -0.190451 35O 1f+1 -0.031104 -0.032126 0.003319 -0.098984 -0.160908 0.152815 35O 1f-1 -0.048982 -0.048181 0.020124 0.017546 -0.014735 -0.010137 35O 1f+2 0.105860 0.079935 -0.084289 -0.091317 -0.086650 0.111717 35O 1f-2 0.077832 0.049867 -0.040643 -0.161989 -0.198632 0.223913 35O 1f+3 0.035970 0.048351 -0.059292 -0.132176 -0.175805 0.174737 35O 1f-3 -0.080197 -0.075936 0.019338 0.016514 -0.032561 0.008669 738 739 740 741 742 743 7.23462 7.23868 14.11899 14.15094 14.20372 14.21398 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s -0.000032 0.000095 -0.000014 -0.000037 0.000141 0.000021 0Rh 2s 0.000149 -0.000861 -0.000019 -0.000059 0.000159 0.000025 0Rh 3s -0.000107 0.000079 -0.000103 -0.000270 0.000993 0.000145 0Rh 4s -0.001078 0.005695 -0.000094 -0.000162 0.001058 0.000129 0Rh 5s 0.003220 -0.017612 0.000789 0.001543 -0.007692 -0.000913 0Rh 6s -0.003972 0.026281 -0.001493 -0.002206 0.013267 0.001176 0Rh 7s 0.005209 -0.055890 0.007976 0.002705 -0.084808 -0.009205 0Rh 8s -0.015063 0.005961 -0.004029 -0.011493 0.107961 0.016082 0Rh 1pz -0.000911 0.007993 0.000007 -0.000058 -0.000110 -0.000822 0Rh 1px -0.000178 0.001523 -0.000003 -0.000055 0.000169 -0.000242 0Rh 1py -0.001100 0.004400 0.000029 0.000151 -0.000821 0.000071 0Rh 2pz 0.003915 -0.034566 -0.000030 0.000262 0.000490 0.003627 0Rh 2px 0.000770 -0.006597 0.000017 0.000247 -0.000773 0.001058 0Rh 2py 0.004693 -0.019044 -0.000133 -0.000683 0.003608 -0.000313 0Rh 3pz -0.014578 0.133534 0.000113 -0.001219 -0.002012 -0.013712 0Rh 3px -0.002984 0.025665 -0.000170 -0.001105 0.003674 -0.003774 0Rh 3py -0.016876 0.073928 0.000619 0.003151 -0.013317 0.001236 0Rh 4pz 0.022699 -0.221191 -0.000147 0.002487 0.003093 0.016089 0Rh 4px 0.004903 -0.043110 0.000717 0.002176 -0.007627 0.003356 0Rh 4py 0.025174 -0.123334 -0.001373 -0.006514 0.014182 -0.001674 0Rh 5pz -0.014139 0.164705 -0.000089 -0.002615 0.000504 0.024436 0Rh 5px -0.002969 0.034462 -0.002226 -0.002720 0.007058 0.011736 0Rh 5py -0.017635 0.092034 0.002503 0.008231 0.028971 -0.001345 0Rh 6pz -0.014305 0.152150 0.004334 -0.004519 -0.047477 -0.488854 0Rh 6px -0.013190 -0.012558 0.016845 0.014991 0.039857 -0.174117 0Rh 6py 0.062190 0.157985 -0.024945 -0.033626 -0.469680 0.042436 0Rh 1dz2 0.010457 0.002420 -0.465055 -0.460635 -0.047408 -0.328056 0Rh 1dxz -0.000197 0.000041 -0.223315 -0.226334 0.095735 0.518934 0Rh 1dyz 0.026369 0.006683 0.238556 0.236741 -0.186412 0.133687 0Rh 1dx2y2 0.004008 0.001506 -0.340103 -0.350306 -0.178973 0.203268 0Rh 1dxy 0.010789 0.004412 -0.028767 -0.018101 0.599601 0.001280 0Rh 2dz2 -0.009187 -0.004459 0.963436 0.956273 0.098770 0.683430 0Rh 2dxz 0.000456 0.000515 0.462888 0.470110 -0.199434 -1.081743 0Rh 2dyz -0.022985 -0.011407 -0.494277 -0.491527 0.388332 -0.278600 0Rh 2dx2y2 -0.003530 -0.002174 0.704521 0.727122 0.372574 -0.423424 0Rh 2dxy -0.009161 -0.005476 0.059666 0.037651 -1.249138 -0.002680 0Rh 3dz2 -0.015662 0.008705 -0.878408 -0.877501 -0.091595 -0.633940 0Rh 3dxz -0.001331 -0.002905 -0.422458 -0.431739 0.184736 1.004457 0Rh 3dyz -0.040582 0.019407 0.450871 0.451217 -0.359899 0.258554 0Rh 3dx2y2 -0.005996 0.002255 -0.642265 -0.666925 -0.344766 0.392681 0Rh 3dxy -0.017952 0.001763 -0.054499 -0.034699 1.157737 0.002468 0Rh 4dz2 0.003756 -0.046151 0.480160 0.491477 0.053349 0.369785 0Rh 4dxz 0.007376 0.010001 0.231756 0.242238 -0.107177 -0.587811 0Rh 4dyz 0.014626 -0.111205 -0.247073 -0.253178 0.209095 -0.151002 0Rh 4dx2y2 0.001707 -0.016685 0.350976 0.372390 0.199659 -0.228918 0Rh 4dxy 0.011483 -0.029657 0.029830 0.019815 -0.673141 -0.001275 0Rh 5dz2 0.178997 0.214069 -0.219160 -0.246706 -0.031296 -0.226641 0Rh 5dxz -0.033883 -0.027459 -0.108324 -0.121737 0.066584 0.368022 0Rh 5dyz 0.430140 0.540237 0.115685 0.129056 -0.125272 0.098542 0Rh 5dx2y2 0.066289 0.089974 -0.160238 -0.182572 -0.123920 0.142048 0Rh 5dxy 0.157958 0.194974 -0.012266 -0.010988 0.411988 0.001738 0Rh 1f0 -0.000061 0.003496 0.001189 -0.002175 -0.001857 0.006285 0Rh 1f+1 0.000649 0.005629 -0.001438 0.002191 0.000780 0.010333 0Rh 1f-1 -0.002457 0.024153 -0.000824 0.001193 -0.000550 -0.001066 0Rh 1f+2 0.000859 -0.014353 -0.000685 0.000772 -0.003881 -0.003640 0Rh 1f-2 0.000267 0.004408 0.000640 -0.001692 0.003706 -0.003738 0Rh 1f+3 -0.000244 0.004808 0.001354 -0.002519 -0.004870 0.002692 0Rh 1f-3 -0.001117 0.003765 0.000454 -0.001013 0.011316 0.001321 1Rh 1s 0.000037 0.000100 -0.000015 0.000037 0.000141 0.000017 1Rh 2s -0.000235 -0.000884 -0.000020 0.000058 0.000159 0.000019 1Rh 3s 0.000091 0.000094 -0.000105 0.000268 0.000991 0.000118 1Rh 4s 0.001627 0.005860 -0.000096 0.000160 0.001059 0.000115 1Rh 5s -0.005024 -0.018109 0.000802 -0.001523 -0.007697 -0.000780 1Rh 6s 0.007218 0.026913 -0.001513 0.002169 0.013304 0.001032 1Rh 7s -0.017540 -0.057015 0.008113 -0.002584 -0.085258 -0.008395 1Rh 8s 0.016042 0.009496 -0.003887 0.011594 0.108919 0.009983 1Rh 1pz -0.002302 -0.007953 -0.000013 -0.000052 0.000133 0.000798 1Rh 1px -0.000282 -0.001491 0.000001 -0.000053 -0.000157 0.000228 1Rh 1py -0.003785 -0.004529 -0.000030 0.000152 0.000800 -0.000038 1Rh 2pz 0.009932 0.034399 0.000059 0.000234 -0.000595 -0.003516 1Rh 2px 0.001215 0.006458 -0.000008 0.000237 0.000719 -0.000994 1Rh 2py 0.016307 0.019601 0.000135 -0.000690 -0.003516 0.000166 1Rh 3pz -0.037926 -0.132952 -0.000242 -0.001102 0.002505 0.013205 1Rh 3px -0.004613 -0.025178 0.000131 -0.001063 -0.003425 0.003452 1Rh 3py -0.061770 -0.076013 -0.000627 0.003177 0.012887 -0.000541 1Rh 4pz 0.061629 0.220355 0.000386 0.002292 -0.004122 -0.015063 1Rh 4px 0.007511 0.042429 -0.000644 0.002101 0.007118 -0.002625 1Rh 4py 0.099676 0.126608 0.001382 -0.006556 -0.013293 0.000204 1Rh 5pz -0.043177 -0.164056 -0.000145 -0.002546 0.000710 -0.025578 1Rh 5px -0.005665 -0.034109 0.002148 -0.002656 -0.006456 -0.012661 1Rh 5py -0.073387 -0.094163 -0.002493 0.008218 -0.029985 0.003062 1Rh 6pz -0.054316 -0.155322 -0.003955 -0.003094 0.045120 0.490477 1Rh 6px -0.004713 0.011554 -0.016452 0.014964 -0.041742 0.174434 1Rh 6py 0.001183 -0.159682 0.024320 -0.032072 0.471028 -0.043074 1Rh 1dz2 -0.011058 0.002194 -0.466479 0.457853 -0.045361 -0.332058 1Rh 1dxz 0.000540 0.000025 -0.224628 0.227544 0.092105 0.522811 1Rh 1dyz -0.027249 0.006106 0.239096 -0.235493 -0.188110 0.138385 1Rh 1dx2y2 -0.004099 0.001467 -0.341444 0.349556 -0.182493 0.205172 1Rh 1dxy -0.010507 0.004129 -0.029066 0.018934 0.603330 -0.007462 1Rh 2dz2 0.009784 -0.004258 0.966395 -0.950504 0.094511 0.691772 1Rh 2dxz -0.000627 0.000520 0.465613 -0.472624 -0.191876 -1.089826 1Rh 2dyz 0.024099 -0.010899 -0.495398 0.488941 0.391870 -0.288392 1Rh 2dx2y2 0.003624 -0.002120 0.707305 -0.725571 0.379902 -0.427392 1Rh 2dxy 0.009263 -0.005244 0.060287 -0.039381 -1.256910 0.015534 1Rh 3dz2 0.016229 0.009029 -0.881126 0.872229 -0.087669 -0.641681 1Rh 3dxz 0.000107 -0.002826 -0.424953 0.434053 0.177753 1.011954 1Rh 3dyz 0.040114 0.020272 0.451905 -0.448854 -0.363177 0.267629 1Rh 3dx2y2 0.006052 0.002201 -0.644818 0.665517 -0.351542 0.396358 1Rh 3dxy 0.015660 0.002280 -0.055068 0.036288 1.164942 -0.014395 1Rh 4dz2 -0.002975 -0.046186 0.481691 -0.488573 0.051159 0.374240 1Rh 4dxz -0.004398 0.009689 0.233143 -0.243557 -0.103241 -0.592089 1Rh 4dyz -0.008281 -0.111436 -0.247668 0.251878 0.210965 -0.156193 1Rh 4dx2y2 -0.001356 -0.016175 0.352406 -0.371638 0.203503 -0.230998 1Rh 4dxy -0.004081 -0.030199 0.030147 -0.020713 -0.677252 0.008305 1Rh 5dz2 -0.192896 0.210129 -0.219879 0.245268 -0.030340 -0.228757 1Rh 5dxz 0.030421 -0.026031 -0.109025 0.122539 0.064877 0.370140 1Rh 5dyz -0.470044 0.530468 0.116127 -0.128444 -0.126102 0.101130 1Rh 5dx2y2 -0.070447 0.086964 -0.160947 0.182278 -0.125792 0.142753 1Rh 5dxy -0.178788 0.191861 -0.012379 0.011503 0.413902 -0.002848 1Rh 1f0 -0.002993 -0.003659 -0.001178 -0.002197 0.001824 -0.006253 1Rh 1f+1 -0.000865 -0.005660 0.001441 0.002158 -0.000812 -0.010269 1Rh 1f-1 -0.009729 -0.024425 0.000814 0.001206 0.000539 0.001075 1Rh 1f+2 0.002375 0.014304 0.000674 0.000799 0.003884 0.003669 1Rh 1f-2 -0.004149 -0.004607 -0.000636 -0.001679 -0.003652 0.003717 1Rh 1f+3 0.000887 -0.004726 -0.001343 -0.002529 0.004841 -0.002604 1Rh 1f-3 -0.002996 -0.003857 -0.000454 -0.001032 -0.011289 -0.001355 2C 1s 0.000523 -0.004437 0.000594 -0.000011 -0.000210 -0.000066 2C 2s 0.000348 -0.004724 -0.000263 0.000004 0.000123 0.000052 2C 3s 0.034246 0.002628 -0.008826 0.000946 -0.001459 -0.003391 2C 4s -0.109123 0.413546 0.041418 -0.005017 0.016416 0.026683 2C 5s 0.114779 -0.497971 -0.076482 -0.013763 0.057712 0.106569 2C 1pz -0.012968 0.027146 0.002324 0.001421 -0.000450 -0.001298 2C 1px 0.051753 -0.022324 0.001884 -0.000100 0.000725 0.000939 2C 1py 0.011303 0.009105 -0.005052 -0.001783 -0.001168 0.000342 2C 2pz 0.138123 0.152920 -0.005831 -0.013827 0.021802 0.027449 2C 2px -0.384550 0.269806 -0.010885 0.001365 -0.017224 -0.021542 2C 2py -0.059075 0.155816 0.045120 0.016206 0.018333 0.000893 2C 3pz 0.025604 -0.100469 -0.009366 0.018280 0.002790 0.001287 2C 3px -0.025082 -0.078137 -0.001748 -0.012448 0.030391 0.047018 2C 3py 0.009457 -0.057752 -0.000160 -0.030728 -0.006703 0.030213 2C 1dz2 -0.031346 0.031809 0.002611 0.000013 0.002033 0.001711 2C 1dxz 0.054498 -0.024912 0.001852 0.000793 -0.000879 -0.001571 2C 1dyz -0.006361 0.021723 -0.000786 0.000282 0.000262 0.000140 2C 1dx2y2 -0.001617 -0.011405 0.001760 0.001290 -0.001477 -0.001762 2C 1dxy 0.040785 -0.022861 -0.000505 -0.001063 -0.001154 -0.001488 2C 2dz2 0.091533 0.020098 -0.018453 0.001510 0.005601 0.002520 2C 2dxz -0.064248 0.021842 -0.005290 0.000230 0.004060 0.001349 2C 2dyz -0.042884 0.114095 0.018741 -0.000989 0.003551 0.001127 2C 2dx2y2 -0.111231 0.023111 -0.017749 0.000412 -0.002603 -0.006207 2C 2dxy -0.080486 0.037251 -0.004908 -0.003272 -0.001882 0.002264 2C 1f0 -0.033352 0.041263 -0.005270 0.000854 0.001652 0.000594 2C 1f+1 0.016245 0.026879 -0.002282 -0.000946 -0.001601 -0.001040 2C 1f-1 -0.004731 0.015197 0.001055 -0.000613 0.000989 0.001453 2C 1f+2 0.025460 -0.051849 -0.004631 -0.000293 -0.000166 -0.000682 2C 1f-2 0.020925 -0.014757 0.000259 0.000546 -0.001299 -0.002052 2C 1f+3 0.017963 -0.016326 -0.000459 0.001180 0.000016 -0.001759 2C 1f-3 -0.012883 0.041616 0.003187 0.000151 -0.000163 0.000159 3C 1s -0.000551 0.004259 -0.000831 0.000207 0.000008 -0.000280 3C 2s -0.000516 0.004702 0.000361 -0.000135 -0.000005 0.000147 3C 3s -0.017247 -0.023225 0.013843 0.003723 -0.002930 0.003787 3C 4s 0.058464 -0.372719 -0.067408 -0.026457 0.022058 -0.024773 3C 5s -0.108009 0.399740 0.123060 0.037957 -0.021392 -0.043367 3C 1pz 0.017470 -0.011895 0.005264 0.000787 -0.000285 -0.000437 3C 1px -0.052144 -0.012605 0.000979 0.001420 -0.001594 0.000337 3C 1py -0.008414 0.020818 0.002410 0.000882 -0.000028 -0.000613 3C 2pz -0.151293 -0.109311 -0.050542 -0.015105 0.006085 0.003669 3C 2px 0.382206 -0.071399 -0.015449 -0.017195 0.036278 -0.017639 3C 2py 0.100091 0.257403 0.004010 0.004295 -0.011817 0.010590 3C 3pz -0.023922 -0.000320 0.004136 0.015748 0.002625 -0.023196 3C 3px 0.013705 0.064950 0.000277 0.036522 -0.055592 0.013548 3C 3py 0.018851 -0.098315 -0.015997 0.011786 -0.004133 0.011331 3C 1dz2 0.021194 0.001518 0.002042 -0.000461 -0.000853 0.000363 3C 1dxz -0.034842 -0.014426 0.001063 0.001152 0.000012 0.000082 3C 1dyz -0.029031 0.014323 -0.000923 0.000298 -0.000242 0.000074 3C 1dx2y2 -0.030804 0.013544 0.002753 0.000604 0.001027 -0.001381 3C 1dxy 0.052984 0.014639 0.001024 0.001230 -0.003150 0.002190 3C 2dz2 -0.042702 -0.005363 -0.023354 0.001310 -0.001240 0.000859 3C 2dxz -0.048240 -0.032590 -0.013527 0.000029 -0.001986 -0.001861 3C 2dyz 0.016113 0.098077 0.019036 0.002918 -0.006364 0.003121 3C 2dx2y2 0.111449 0.068469 -0.006219 0.006576 -0.003383 -0.000453 3C 2dxy -0.126642 0.026212 0.006834 0.000496 -0.004884 0.002651 3C 1f0 0.005442 -0.011968 -0.000350 0.001196 -0.000937 -0.000561 3C 1f+1 0.018463 -0.025565 -0.003402 -0.000675 0.000657 -0.000300 3C 1f-1 -0.006412 0.003618 0.005914 -0.000834 0.001146 -0.000380 3C 1f+2 -0.024886 0.005551 0.002325 0.000146 0.001945 -0.001185 3C 1f-2 0.002220 0.033097 0.003516 0.001173 -0.002001 0.001527 3C 1f+3 -0.029830 -0.038540 -0.000483 0.000478 0.001287 -0.002025 3C 1f-3 -0.038277 0.036596 -0.002644 0.000667 0.000835 -0.001050 4C 1s -0.000525 -0.022018 -0.000044 0.000102 0.000222 -0.000547 4C 2s 0.000907 -0.049022 -0.000024 -0.000061 -0.000178 0.000217 4C 3s -0.065685 0.196012 0.003179 0.000194 0.003107 -0.008384 4C 4s 0.216832 1.407085 -0.019826 -0.004342 -0.014401 0.069900 4C 5s -0.026510 0.563841 0.041401 -0.015457 -0.092259 0.013884 4C 1pz 0.018346 0.051123 -0.002341 -0.000129 0.000884 0.001590 4C 1px -0.069936 0.083809 -0.000980 -0.000131 -0.005387 -0.006843 4C 1py -0.015647 0.062771 0.001331 0.000166 -0.001240 -0.001512 4C 2pz 0.029654 0.541723 0.026461 -0.002633 0.010526 0.027158 4C 2px -0.051580 0.381047 0.011443 0.003820 0.008989 0.016769 4C 2py 0.003098 0.462276 -0.002554 -0.002688 0.008569 0.022164 4C 3pz 0.085689 -0.252754 0.018891 -0.025371 0.009515 0.127724 4C 3px -0.031808 0.094088 0.016233 0.008441 -0.056432 -0.060012 4C 3py 0.042692 -0.122629 -0.042149 -0.004258 -0.006992 0.051088 4C 1dz2 0.063944 -0.134265 0.007343 0.002127 -0.001766 -0.003454 4C 1dxz -0.115142 -0.030908 0.003415 -0.002567 0.004777 0.006108 4C 1dyz 0.001872 -0.008513 -0.005070 -0.002400 0.000951 0.000786 4C 1dx2y2 -0.004685 0.187878 0.005987 -0.002390 -0.000255 0.001420 4C 1dxy -0.085445 0.143035 0.000446 0.004890 0.004980 0.004686 4C 2dz2 0.267157 -0.428730 -0.038839 -0.011117 -0.004545 0.011744 4C 2dxz -0.591760 0.064653 -0.018842 0.016070 -0.014250 -0.048572 4C 2dyz 0.015633 -0.206408 0.015593 0.013447 -0.001368 -0.013212 4C 2dx2y2 0.055183 0.362690 -0.020119 0.011676 0.017492 0.003621 4C 2dxy -0.381599 0.326906 -0.001840 -0.024810 -0.043470 0.005436 4C 1f0 0.240993 -0.133275 0.005172 -0.004910 -0.006754 0.001757 4C 1f+1 -0.245791 0.170392 0.007650 0.005612 0.006278 -0.004906 4C 1f-1 0.053778 -0.031425 0.000938 0.003010 0.005134 -0.001055 4C 1f+2 -0.164300 0.076641 0.000244 0.002320 0.004999 0.002860 4C 1f-2 -0.280217 0.176836 -0.006220 -0.003686 -0.003764 0.002865 4C 1f+3 -0.250091 0.146393 0.006313 -0.006620 -0.003575 0.009799 4C 1f-3 -0.063127 0.050450 -0.009742 -0.002178 0.000923 0.002546 5C 1s 0.000539 0.023249 0.000061 0.000351 0.000116 0.000710 5C 2s 0.000059 0.050474 0.000035 -0.000157 -0.000117 -0.000313 5C 3s 0.027332 -0.169933 -0.006394 -0.006070 0.005607 0.009941 5C 4s -0.092727 -1.563185 0.035355 0.019726 -0.028392 -0.072945 5C 5s 0.014882 -0.537298 -0.055425 -0.013610 -0.053575 -0.068899 5C 1pz -0.023480 -0.045233 -0.001079 0.000220 -0.002081 0.001945 5C 1px 0.076044 -0.028559 0.000370 0.000311 0.005856 -0.005435 5C 1py 0.011247 0.073537 -0.003150 -0.000842 0.001817 -0.001202 5C 2pz -0.027870 -0.385257 -0.001314 -0.008400 0.004685 -0.018909 5C 2px 0.068961 -0.246853 -0.011137 -0.001224 0.006600 -0.005784 5C 2py 0.046345 0.650680 0.039470 0.015041 -0.010884 0.029174 5C 3pz -0.057702 0.106082 0.051047 0.007562 -0.049084 -0.028745 5C 3px 0.040120 0.016657 0.017714 -0.003759 0.060113 -0.091337 5C 3py 0.090867 -0.135597 0.008991 -0.028908 0.064472 0.072229 5C 1dz2 -0.041359 0.099340 0.007684 0.002728 0.001373 -0.001191 5C 1dxz 0.063076 0.123632 0.003957 -0.005178 -0.002178 0.003868 5C 1dyz 0.053878 0.041084 -0.004893 0.001026 -0.003998 0.002539 5C 1dx2y2 0.070995 -0.183972 0.005107 0.000444 -0.004305 0.002222 5C 1dxy -0.120858 -0.075139 0.000444 -0.003557 0.005257 -0.004007 5C 2dz2 -0.178954 0.132366 -0.033412 -0.016735 0.003852 0.029808 5C 2dxz 0.337223 0.317511 -0.011234 0.030155 -0.007908 -0.023896 5C 2dyz 0.261941 -0.075546 0.011533 -0.009036 0.028140 -0.005558 5C 2dx2y2 0.283933 -0.442372 -0.034796 -0.004114 0.026371 -0.032883 5C 2dxy -0.559525 -0.291132 -0.009583 0.013400 -0.037389 -0.005034 5C 1f0 -0.123016 -0.011877 0.004891 -0.005499 0.007234 0.004711 5C 1f+1 0.059671 -0.012851 0.010291 0.004545 -0.007058 -0.001022 5C 1f-1 0.124305 0.006273 -0.000485 0.003224 -0.001972 -0.003629 5C 1f+2 0.305735 0.022134 -0.005957 0.003119 -0.005048 -0.000404 5C 1f-2 -0.110058 0.011041 0.000168 -0.002999 -0.001159 0.004325 5C 1f+3 0.320172 0.002551 -0.002474 -0.007014 0.002538 0.011352 5C 1f-3 0.284819 0.044537 0.009505 -0.000758 -0.000215 0.000806 6C 1s -0.002335 0.023161 0.000062 -0.000351 0.000177 0.000597 6C 2s -0.003871 0.050348 0.000034 0.000157 -0.000143 -0.000265 6C 3s -0.015293 -0.171781 -0.006001 0.005979 0.003405 0.012610 6C 4s 0.211265 -1.549615 0.033135 -0.019299 -0.019224 -0.082479 6C 5s 0.026529 -0.538859 -0.055165 0.013248 -0.055269 -0.063879 6C 1pz -0.029901 0.044426 0.001098 0.000214 0.001988 -0.001770 6C 1px 0.084459 0.030471 -0.000375 0.000334 -0.005960 0.005574 6C 1py 0.018115 -0.072959 0.003151 -0.000825 -0.001642 0.000887 6C 2pz -0.071711 0.383892 0.001122 -0.008206 -0.003728 0.015885 6C 2px 0.079877 0.250179 0.011636 -0.001928 -0.003197 0.001470 6C 2py 0.109176 -0.648707 -0.039437 0.014832 0.008346 -0.023280 6C 3pz -0.060312 -0.110240 -0.050418 0.006911 0.044370 0.034183 6C 3px 0.053936 -0.015071 -0.017392 -0.004183 -0.061433 0.092061 6C 3py 0.092344 0.141790 -0.009701 -0.028430 -0.057873 -0.080261 6C 1dz2 0.039238 0.099922 0.007724 -0.002718 0.001379 -0.001210 6C 1dxz -0.080014 0.121630 0.003957 0.005213 -0.002368 0.004084 6C 1dyz -0.062754 0.039748 -0.004882 -0.001031 -0.003877 0.002259 6C 1dx2y2 -0.064973 -0.184890 0.005082 -0.000385 -0.004149 0.001973 6C 1dxy 0.137253 -0.071795 0.000439 0.003533 0.005483 -0.004285 6C 2dz2 0.186070 0.134920 -0.033255 0.016602 0.003216 0.030409 6C 2dxz -0.391589 0.307900 -0.011185 -0.030327 -0.007635 -0.025120 6C 2dyz -0.275922 -0.081617 0.011668 0.009095 0.025362 -0.001384 6C 2dx2y2 -0.272140 -0.445778 -0.035008 0.004069 0.024950 -0.029797 6C 2dxy 0.626034 -0.277057 -0.009315 -0.013605 -0.038153 -0.003104 6C 1f0 -0.133735 0.008896 -0.004848 -0.005557 -0.007143 -0.004697 6C 1f+1 0.063921 0.014232 -0.010374 0.004558 0.007163 0.000886 6C 1f-1 0.135816 -0.003510 0.000486 0.003234 0.001989 0.003592 6C 1f+2 0.332643 -0.015167 0.005950 0.003169 0.004900 0.000559 6C 1f-2 -0.119072 -0.013914 -0.000128 -0.003008 0.000814 -0.003920 6C 1f+3 0.345426 0.005099 0.002428 -0.007013 -0.002283 -0.011697 6C 1f-3 0.311471 -0.038186 -0.009436 -0.000807 -0.000078 -0.000538 7C 1s 0.002213 -0.022027 -0.000039 -0.000103 0.000233 -0.000539 7C 2s 0.002494 -0.049119 -0.000020 0.000061 -0.000184 0.000214 7C 3s 0.060535 0.198574 0.002867 -0.000136 0.002325 -0.008175 7C 4s -0.341666 1.401701 -0.018237 0.003991 -0.010631 0.068737 7C 5s -0.007789 0.566662 0.038105 0.015459 -0.092513 0.013244 7C 1pz 0.029107 -0.050724 0.002184 -0.000127 -0.000911 -0.001627 7C 1px -0.090056 -0.085326 0.000954 -0.000081 0.005362 0.006875 7C 1py -0.016615 -0.063319 -0.001423 0.000177 0.001241 0.001485 7C 2pz 0.103827 -0.542573 -0.023740 -0.002561 -0.010236 -0.025578 7C 2px -0.108033 -0.380366 -0.011191 0.003190 -0.009883 -0.018380 7C 2py 0.026424 -0.464860 0.004165 -0.002837 -0.008749 -0.022155 7C 3pz 0.101907 0.253559 -0.020074 -0.024973 -0.012731 -0.125643 7C 3px -0.058924 -0.094325 -0.015989 0.008359 0.055801 0.058230 7C 3py 0.041934 0.123411 0.041389 -0.003770 0.005772 -0.051805 7C 1dz2 -0.072143 -0.135657 0.007418 -0.002102 -0.001810 -0.003563 7C 1dxz 0.148545 -0.028244 0.003457 0.002603 0.004823 0.006121 7C 1dyz -0.001795 -0.008542 -0.005025 0.002377 0.000895 0.000834 7C 1dx2y2 -0.006617 0.188082 0.005924 0.002397 -0.000147 0.001339 7C 1dxy 0.098062 0.145177 0.000456 -0.004869 0.005030 0.004681 7C 2dz2 -0.292866 -0.433747 -0.038451 0.010858 -0.004613 0.011936 7C 2dxz 0.712136 0.078882 -0.018141 -0.015992 -0.014297 -0.047466 7C 2dyz -0.001162 -0.207145 0.016203 -0.013430 -0.000766 -0.013257 7C 2dx2y2 -0.091016 0.360990 -0.020662 -0.011699 0.017661 0.003467 7C 2dxy 0.439950 0.335574 -0.001851 0.024898 -0.042998 0.005845 7C 1f0 0.281986 0.138744 -0.005144 -0.004968 0.006787 -0.001727 7C 1f+1 -0.284603 -0.176080 -0.007693 0.005618 -0.006184 0.004844 7C 1f-1 0.064805 0.032619 -0.000846 0.003018 -0.005086 0.001114 7C 1f+2 -0.192571 -0.080197 -0.000242 0.002368 -0.005090 -0.002749 7C 1f-2 -0.327596 -0.183902 0.006253 -0.003639 0.003759 -0.002922 7C 1f+3 -0.291777 -0.153028 -0.006240 -0.006607 0.003584 -0.009775 7C 1f-3 -0.070593 -0.052151 0.009748 -0.002135 -0.000769 -0.002551 8C 1s 0.000291 0.004254 -0.000814 -0.000207 0.000056 -0.000352 8C 2s 0.000233 0.004685 0.000353 0.000135 -0.000038 0.000198 8C 3s 0.018963 -0.021908 0.013620 -0.003665 -0.001917 0.002090 8C 4s -0.027537 -0.375844 -0.066423 0.026173 0.015396 -0.013474 8C 5s 0.088368 0.408516 0.120432 -0.036738 -0.012092 -0.055451 8C 1pz 0.017950 0.012177 -0.005259 0.000808 0.000270 0.000496 8C 1px -0.056961 0.011373 -0.000983 0.001403 0.001549 -0.000297 8C 1py -0.007799 -0.020869 -0.002419 0.000884 0.000105 0.000472 8C 2pz -0.173996 0.106932 0.050390 -0.015307 -0.004206 -0.007160 8C 2px 0.403081 0.080927 0.015413 -0.016968 -0.034630 0.014897 8C 2py 0.132876 -0.255105 -0.003624 0.004178 0.007864 -0.003960 8C 3pz -0.024781 -0.001568 -0.003988 0.016321 -0.003236 0.024260 8C 3px 0.017153 -0.066230 -0.000320 0.036037 0.054521 -0.012329 8C 3py 0.013128 0.099229 0.015688 0.012227 0.006127 -0.013677 8C 1dz2 -0.022769 0.001060 0.002028 0.000456 -0.000854 0.000355 8C 1dxz 0.038647 -0.013627 0.001089 -0.001149 -0.000037 0.000183 8C 1dyz 0.030314 0.014955 -0.000932 -0.000300 -0.000149 -0.000084 8C 1dx2y2 0.032076 0.014338 0.002742 -0.000599 0.001155 -0.001557 8C 1dxy -0.058888 0.013438 0.001029 -0.001223 -0.003054 0.002032 8C 2dz2 0.046232 -0.004231 -0.023370 -0.001407 -0.000990 0.000343 8C 2dxz 0.057375 -0.031039 -0.013387 -0.000116 -0.002355 -0.001410 8C 2dyz -0.024195 0.097870 0.018938 -0.002772 -0.004947 0.000750 8C 2dx2y2 -0.126009 0.066521 -0.006349 -0.006652 -0.002662 -0.001775 8C 2dxy 0.130903 0.028870 0.006814 -0.000566 -0.004186 0.001468 8C 1f0 0.005907 0.011915 0.000366 0.001206 0.000838 0.000703 8C 1f+1 0.017969 0.025856 0.003397 -0.000658 -0.000622 0.000214 8C 1f-1 -0.007154 -0.003728 -0.005910 -0.000863 -0.001185 0.000406 8C 1f+2 -0.027099 -0.006248 -0.002302 0.000131 -0.002101 0.001426 8C 1f-2 0.005251 -0.032975 -0.003496 0.001156 0.001840 -0.001266 8C 1f+3 -0.035436 0.037689 0.000463 0.000489 -0.001160 0.001801 8C 1f-3 -0.039803 -0.037293 0.002664 0.000689 -0.000936 0.001254 9C 1s -0.000334 -0.004456 0.000549 0.000010 -0.000197 -0.000068 9C 2s -0.000105 -0.004731 -0.000245 -0.000003 0.000115 0.000053 9C 3s -0.039256 0.000917 -0.007877 -0.000995 -0.001284 -0.003259 9C 4s 0.090388 0.419570 0.036675 0.005299 0.015255 0.025850 9C 5s -0.105249 -0.500711 -0.069517 0.012998 0.061299 0.106088 9C 1pz -0.013627 -0.027340 -0.002415 0.001413 0.000425 0.001313 9C 1px 0.059888 0.023589 -0.001885 -0.000030 -0.000762 -0.000907 9C 1py 0.013841 -0.008734 0.005001 -0.001783 0.001209 -0.000407 9C 2pz 0.180476 -0.148916 0.008111 -0.013926 -0.021033 -0.027128 9C 2px -0.433925 -0.278861 0.011282 0.000753 0.017806 0.021004 9C 2py -0.052819 -0.160500 -0.043790 0.016175 -0.018317 -0.000231 9C 3pz 0.023614 0.099571 0.008628 0.018348 -0.003181 -0.001471 9C 3px -0.028668 0.077737 0.001673 -0.010833 -0.031133 -0.046033 9C 3py 0.008808 0.059985 -0.000260 -0.030859 0.005755 -0.029666 9C 1dz2 0.035336 0.032559 0.002565 -0.000011 0.002060 0.001619 9C 1dxz -0.064568 -0.026248 0.001831 -0.000800 -0.000854 -0.001546 9C 1dyz 0.005973 0.021929 -0.000822 -0.000276 0.000219 0.000184 9C 1dx2y2 0.003036 -0.011373 0.001817 -0.001287 -0.001424 -0.001781 9C 1dxy -0.047873 -0.023862 -0.000519 0.001047 -0.001192 -0.001549 9C 2dz2 -0.108657 0.018724 -0.019137 -0.001521 0.005157 0.002696 9C 2dxz 0.066438 0.021788 -0.005543 -0.000324 0.004176 0.001203 9C 2dyz 0.039863 0.114916 0.017947 0.001003 0.003498 0.000877 9C 2dx2y2 0.130536 0.025615 -0.017329 -0.000670 -0.002647 -0.005921 9C 2dxy 0.094997 0.040722 -0.005083 0.003243 -0.002146 0.002197 9C 1f0 -0.038432 -0.041895 0.005327 0.000889 -0.001621 -0.000631 9C 1f+1 0.022111 -0.026801 0.002343 -0.000941 0.001638 0.001051 9C 1f-1 -0.004904 -0.015537 -0.000840 -0.000616 -0.000951 -0.001427 9C 1f+2 0.027873 0.052570 0.004515 -0.000270 0.000151 0.000663 9C 1f-2 0.026921 0.015387 -0.000182 0.000530 0.001310 0.002072 9C 1f+3 0.022519 0.017380 0.000483 0.001183 -0.000020 0.001759 9C 1f-3 -0.012592 -0.041882 -0.003162 0.000154 0.000157 -0.000130 10H 1s 0.056982 -0.053591 -0.001060 0.000011 0.000105 0.000672 10H 2s 0.189427 -0.117960 0.005342 -0.002375 0.014157 0.013963 10H 3s -0.020766 0.076829 0.010330 0.014286 -0.028389 -0.034545 10H 1pz 0.059089 -0.030191 0.000675 -0.000073 0.002557 0.002931 10H 1px -0.044784 0.046985 -0.000218 0.000844 -0.002996 -0.002722 10H 1py 0.028882 -0.011864 0.001247 0.000058 0.001398 0.000859 11H 1s -0.016983 0.020459 -0.001710 -0.000003 -0.000737 0.000088 11H 2s -0.021932 0.038466 -0.006562 -0.011400 -0.008640 -0.001408 11H 3s -0.013332 -0.006816 0.020634 0.025407 0.007846 -0.007088 11H 1pz -0.005413 -0.001132 -0.005217 -0.001538 -0.001977 -0.000401 11H 1px -0.008087 0.014391 -0.002091 -0.001867 -0.001202 -0.000726 11H 1py -0.005698 -0.009241 -0.001550 0.001398 0.000765 -0.000553 12H 1s -0.030793 0.018012 -0.001280 -0.000054 0.000489 -0.001073 12H 2s -0.058896 0.031323 0.011534 0.015605 0.002061 -0.014000 12H 3s -0.007171 0.021719 0.008021 -0.038161 -0.017091 0.020096 12H 1pz -0.009131 -0.000331 0.003211 -0.001438 -0.001310 0.000194 12H 1px -0.015948 0.011061 0.000791 0.001783 0.000165 -0.002298 12H 1py -0.020099 0.004172 0.004141 0.003440 0.000163 -0.003501 13H 1s -0.056903 0.014182 0.001671 0.000303 -0.001166 0.000162 13H 2s -0.181033 0.004010 -0.008769 0.003490 -0.010203 0.007410 13H 3s 0.021043 -0.062237 -0.014190 -0.022939 0.024671 -0.011867 13H 1pz -0.053538 0.004148 -0.001798 0.000941 -0.002243 0.002054 13H 1px 0.030120 -0.016564 -0.000322 -0.001310 0.001846 -0.001088 13H 1py 0.046751 0.007780 0.001201 -0.000050 0.002218 -0.001556 14H 1s 0.036183 0.004915 0.002082 0.000067 0.000627 0.000804 14H 2s 0.076498 0.010438 -0.011716 -0.012044 0.016320 -0.002582 14H 3s 0.003193 -0.028774 -0.016174 0.036132 -0.035548 -0.004795 14H 1pz 0.015046 0.009194 -0.003202 -0.000815 0.001810 -0.000881 14H 1px 0.028992 0.006320 -0.001860 -0.002727 0.004292 -0.000285 14H 1py -0.013021 -0.000751 0.002875 -0.001766 0.000357 0.001050 15H 1s 0.012804 -0.012379 0.002443 -0.000145 -0.000245 -0.000096 15H 2s 0.015931 -0.031311 0.003858 0.009170 0.004007 -0.007131 15H 3s 0.011794 0.019314 -0.026643 -0.021670 -0.004946 0.012377 15H 1pz 0.001539 0.019297 0.001153 -0.001395 -0.000808 0.001001 15H 1px 0.007117 -0.001770 0.001861 0.000423 0.000648 0.000367 15H 1py -0.005076 0.000220 -0.005313 -0.001932 -0.000357 0.001621 16H 1s 0.077723 0.102556 -0.001188 -0.001542 0.000397 -0.002504 16H 2s 0.170661 0.014189 0.012998 0.017449 -0.034714 -0.015298 16H 3s -0.002300 -0.030683 -0.000270 0.000743 -0.031816 -0.062266 16H 1pz 0.091003 0.045904 0.004871 0.006389 -0.009908 -0.004006 16H 1px -0.015846 0.011873 0.000676 0.000909 0.007654 0.015762 16H 1py 0.036861 0.020873 -0.002029 -0.002352 0.003949 0.000710 17H 1s -0.079571 -0.112460 -0.002910 -0.003493 0.000933 0.002255 17H 2s -0.157671 -0.106500 0.017010 0.022301 -0.036376 0.008072 17H 3s 0.007795 0.037475 -0.001253 0.000832 -0.032245 0.055990 17H 1pz 0.052171 0.060842 -0.004662 -0.006041 0.002834 0.007475 17H 1px 0.064869 0.046924 -0.003219 -0.004326 0.013356 -0.013418 17H 1py -0.049740 -0.042607 -0.000478 -0.000284 0.002466 -0.001053 18H 1s 0.081101 -0.109190 -0.003129 0.003724 0.000964 0.002276 18H 2s 0.145334 -0.106256 0.017653 -0.022979 -0.036400 0.009055 18H 3s -0.008644 0.036665 -0.001467 -0.000687 -0.031302 0.057615 18H 1pz 0.052643 -0.061451 0.004717 -0.006095 -0.002995 -0.007444 18H 1px 0.061042 -0.045976 0.003368 -0.004486 -0.013096 0.013866 18H 1py -0.045095 0.039089 0.000447 -0.000242 -0.002646 0.001139 19H 1s -0.089569 0.101522 -0.000950 0.001252 0.000355 -0.002518 19H 2s -0.190181 0.007928 0.012138 -0.016249 -0.035300 -0.014387 19H 3s 0.006013 -0.031093 -0.000042 -0.001015 -0.033252 -0.061198 19H 1pz 0.102044 -0.042722 -0.004668 0.006079 0.010160 0.003646 19H 1px -0.017954 -0.011677 -0.000770 0.000983 -0.007992 -0.015604 19H 1py 0.044561 -0.021790 0.002049 -0.002370 -0.003811 -0.000625 20H 1s -0.013071 -0.012392 0.002394 0.000147 -0.000304 -0.000023 20H 2s -0.015366 -0.031265 0.004033 -0.009395 0.003677 -0.006739 20H 3s -0.014072 0.017831 -0.026249 0.022067 -0.005408 0.012973 20H 1pz 0.003072 -0.019005 -0.001144 -0.001449 0.000692 -0.000841 20H 1px 0.008040 0.002078 -0.001875 0.000444 -0.000656 -0.000332 20H 1py -0.005716 -0.000081 0.005332 -0.001938 0.000400 -0.001716 21H 1s -0.039562 0.003860 0.002046 -0.000052 0.000644 0.000786 21H 2s -0.082880 0.007906 -0.011717 0.012126 0.016204 -0.002218 21H 3s -0.001250 -0.028444 -0.015604 -0.036300 -0.036019 -0.004136 21H 1pz 0.016785 -0.008840 0.003223 -0.000839 -0.001909 0.000972 21H 1px 0.031370 -0.005320 0.001886 -0.002732 -0.004269 0.000243 21H 1py -0.013859 0.000745 -0.002891 -0.001784 -0.000316 -0.001141 22H 1s 0.061022 0.015630 0.001638 -0.000302 -0.001082 0.000054 22H 2s 0.196922 0.008118 -0.008597 -0.003314 -0.010076 0.007021 22H 3s -0.018899 -0.063326 -0.013941 0.022327 0.023851 -0.010776 22H 1pz -0.057342 -0.005247 0.001758 0.000904 0.002148 -0.001896 22H 1px 0.032117 0.017365 0.000314 -0.001272 -0.001840 0.001064 22H 1py 0.051454 -0.006642 -0.001165 -0.000052 -0.002165 0.001448 23H 1s 0.034796 0.018865 -0.001163 0.000065 0.000489 -0.001065 23H 2s 0.064968 0.032465 0.011357 -0.015723 0.002322 -0.013885 23H 3s 0.007038 0.020727 0.006787 0.037970 -0.017161 0.019406 23H 1pz -0.010526 0.000701 -0.003232 -0.001439 0.001242 -0.000172 23H 1px -0.017592 -0.011433 -0.000809 0.001739 -0.000155 0.002205 23H 1py -0.022875 -0.004623 -0.004199 0.003471 -0.000270 0.003525 24H 1s 0.019747 0.020845 -0.001577 -0.000006 -0.000766 0.000097 24H 2s 0.025781 0.038428 -0.006904 0.011606 -0.009107 -0.001052 24H 3s 0.014316 -0.005568 0.019522 -0.026043 0.008007 -0.007100 24H 1pz -0.007167 0.001193 0.005211 -0.001526 0.002040 0.000314 24H 1px -0.009100 -0.014589 0.002103 -0.001938 0.001322 0.000669 24H 1py -0.007345 0.008510 0.001560 0.001418 -0.000753 0.000539 25H 1s -0.065728 -0.055314 -0.000967 -0.000021 0.000130 0.000650 25H 2s -0.218316 -0.123309 0.004913 0.002276 0.014391 0.013543 25H 3s 0.019290 0.077885 0.009479 -0.013231 -0.029150 -0.034009 25H 1pz 0.068548 0.032068 -0.000611 -0.000079 -0.002606 -0.002888 25H 1px -0.050921 -0.048322 0.000217 0.000781 0.003051 0.002648 25H 1py 0.033256 0.011975 -0.001192 0.000045 -0.001402 -0.000801 26O 1s 0.002426 -0.007415 0.000014 0.000017 0.000017 0.000249 26O 2s 0.008802 -0.025041 0.000008 0.000014 0.000020 0.000213 26O 3s -0.114715 0.321802 -0.000087 -0.000207 -0.002432 -0.005653 26O 4s 0.427638 -0.678600 0.000037 0.000702 0.031077 0.053190 26O 5s -0.270271 -1.175584 -0.015891 -0.002912 -0.087554 -0.243311 26O 1pz -0.055078 -0.002243 -0.000837 0.003713 0.005527 0.004522 26O 1px 0.064911 -0.139107 -0.000999 0.002058 -0.004908 -0.007605 26O 1py -0.009814 -0.052326 0.001257 -0.005900 -0.000198 0.001223 26O 2pz 0.331122 -0.051803 0.007400 -0.011745 -0.017475 -0.014467 26O 2px -0.273954 0.617294 0.007396 -0.005896 0.008612 0.022382 26O 2py 0.101122 0.195340 -0.009186 0.018926 -0.002797 -0.003632 26O 3pz -0.150524 0.039581 -0.039657 -0.033015 -0.048686 -0.023048 26O 3px -0.051718 0.484755 -0.024101 -0.025152 -0.017462 0.061669 26O 3py -0.117986 0.200133 0.056565 0.045290 0.039906 -0.059589 26O 1dz2 0.146039 -0.157126 0.007473 0.009729 0.008799 -0.001897 26O 1dxz 0.116192 0.152099 0.003674 0.003136 -0.004450 -0.003348 26O 1dyz 0.226554 0.068313 -0.003854 -0.005616 -0.004935 0.003898 26O 1dx2y2 -0.118129 0.156807 0.005239 0.005081 -0.002971 -0.000068 26O 1dxy 0.046712 0.256589 0.000764 0.002589 0.002222 -0.009287 26O 2dz2 -0.218171 0.267797 -0.021387 -0.026219 -0.022852 -0.001310 26O 2dxz -0.342504 -0.100789 -0.013705 -0.006671 0.016872 0.010044 26O 2dyz -0.365421 -0.046128 0.010163 0.015818 0.007934 -0.013722 26O 2dx2y2 0.265667 -0.318831 -0.019343 -0.011745 0.011363 -0.003554 26O 2dxy -0.114509 -0.355215 0.001774 -0.009587 -0.004509 0.024476 26O 1f0 -0.150880 0.019133 -0.004163 -0.002961 -0.004805 -0.001872 26O 1f+1 0.134323 -0.144853 -0.001957 -0.002783 0.001973 -0.000048 26O 1f-1 -0.010350 -0.050138 -0.000254 -0.001914 -0.000981 -0.000704 26O 1f+2 0.093127 0.008942 -0.002134 -0.005099 0.000228 0.003056 26O 1f-2 0.189996 -0.047132 -0.000329 -0.001401 0.001561 0.006581 26O 1f+3 0.149630 -0.091765 -0.001291 0.003821 0.002991 0.001100 26O 1f-3 0.006228 -0.130606 0.002165 0.000781 -0.003368 -0.001716 27O 1s -0.002578 0.005379 0.000012 -0.000121 -0.000047 0.000021 27O 2s -0.009484 0.017556 0.000021 -0.000132 -0.000058 0.000070 27O 3s 0.128064 -0.219621 -0.000431 0.002734 0.004186 -0.004813 27O 4s -0.480202 0.352909 0.001706 -0.008010 -0.053020 0.041101 27O 5s 0.201317 1.163412 0.016661 0.014515 0.154154 -0.020586 27O 1pz 0.044354 0.015146 -0.001645 0.006293 -0.005388 0.002569 27O 1px -0.060626 0.100826 0.000417 0.001256 0.004796 -0.004240 27O 1py -0.043996 -0.051349 -0.000932 0.004046 0.004489 -0.005697 27O 2pz -0.254362 -0.060537 0.011295 -0.021009 0.017134 -0.008569 27O 2px 0.262837 -0.444546 -0.002153 -0.003248 -0.002952 -0.003942 27O 2py 0.278969 0.226956 0.008740 -0.012470 -0.019358 0.022406 27O 3pz 0.084772 0.054552 -0.053347 -0.041953 0.070544 0.041980 27O 3px 0.097278 -0.361282 -0.008777 -0.004574 0.000107 -0.027347 27O 3py -0.162987 -0.003050 -0.042287 -0.033388 -0.008020 0.062208 27O 1dz2 0.021318 0.186441 0.007330 0.009812 -0.008621 -0.004322 27O 1dxz -0.118217 -0.110713 0.003314 0.001844 0.005402 0.003154 27O 1dyz 0.184370 0.086292 -0.003885 -0.004533 0.003226 0.000351 27O 1dx2y2 0.155039 -0.101917 0.005348 0.006167 0.002184 -0.007674 27O 1dxy 0.146507 0.316692 0.000588 -0.000658 -0.001069 0.008762 27O 2dz2 -0.021829 -0.272861 -0.020394 -0.026769 0.020232 0.005602 27O 2dxz 0.307327 0.148890 -0.014928 -0.001424 -0.017801 -0.009274 27O 2dyz -0.235469 -0.104648 0.012256 0.011418 -0.013365 0.005718 27O 2dx2y2 -0.293470 0.192524 -0.016740 -0.016632 -0.012564 0.022661 27O 2dxy -0.372787 -0.449662 -0.005611 0.003946 0.005158 -0.027826 27O 1f0 0.097996 0.017618 -0.001741 0.001674 0.001998 -0.001402 27O 1f+1 -0.014494 0.090585 -0.002167 -0.002139 0.000647 -0.002900 27O 1f-1 -0.077322 -0.043019 0.003945 0.005269 -0.004329 -0.001557 27O 1f+2 -0.154032 -0.047371 0.000853 -0.003025 -0.000414 0.003555 27O 1f-2 0.092595 0.002871 0.000857 0.003281 0.001929 -0.002371 27O 1f+3 -0.185092 0.045756 0.000411 0.003068 -0.001207 0.002050 27O 1f-3 -0.183467 -0.156355 -0.003185 -0.000851 -0.004996 0.003370 28O 1s -0.002827 -0.003012 -0.000054 -0.000004 0.000029 -0.000051 28O 2s -0.010412 -0.009092 -0.000056 0.000001 0.000038 -0.000077 28O 3s 0.151496 0.100252 0.001001 -0.000283 0.001490 0.005149 28O 4s -0.605080 0.008941 -0.003414 0.001697 -0.036414 -0.048478 28O 5s 0.135693 -0.936723 -0.001657 0.016726 0.121288 0.048378 28O 1pz -0.000225 -0.077619 -0.000805 -0.003747 -0.002573 -0.001663 28O 1px 0.071254 0.014739 -0.000357 -0.002334 -0.006461 -0.007458 28O 1py 0.028207 -0.042693 0.001328 0.006049 -0.002080 -0.005230 28O 2pz -0.025085 0.355221 0.007573 0.010972 0.015581 0.019389 28O 2px -0.404269 -0.017857 0.003045 0.009065 0.014367 0.010523 28O 2py -0.174447 0.213868 -0.010295 -0.019936 0.010135 0.018828 28O 3pz 0.185818 0.012070 -0.034015 0.021132 0.046631 0.005988 28O 3px -0.013258 -0.211263 -0.021843 0.023139 0.040537 -0.033926 28O 3py 0.105244 -0.065097 0.050440 -0.045283 -0.036339 0.062535 28O 1dz2 -0.131180 0.251501 0.007278 -0.007893 0.000233 0.004069 28O 1dxz -0.050422 -0.160530 0.003351 -0.004964 -0.009518 -0.003008 28O 1dyz -0.206121 0.278210 -0.003929 0.003752 -0.000024 0.001148 28O 1dx2y2 0.071349 -0.031230 0.005209 -0.007365 -0.005901 0.007699 28O 1dxy -0.024410 -0.072701 0.000708 0.001235 0.003235 -0.007907 28O 2dz2 0.320901 -0.419791 -0.024409 0.019337 -0.005161 -0.008920 28O 2dxz 0.076223 0.261087 -0.007895 0.013945 0.027579 0.016540 28O 2dyz 0.343758 -0.405224 0.014641 -0.008052 0.006273 -0.001797 28O 2dx2y2 -0.239125 0.094350 -0.013567 0.021192 0.013209 -0.018922 28O 2dxy -0.070418 0.167856 -0.006952 -0.006398 -0.004907 0.026701 28O 1f0 -0.136180 0.073377 -0.003451 0.006268 -0.000591 -0.002685 28O 1f+1 0.140292 -0.201063 -0.003079 -0.000386 0.003761 0.004127 28O 1f-1 -0.090513 0.068634 -0.001050 -0.000097 -0.001885 -0.003470 28O 1f+2 0.094618 0.018946 -0.002508 0.003363 0.001917 -0.001781 28O 1f-2 0.155913 -0.161666 0.000775 0.003678 0.004285 0.002625 28O 1f+3 0.121511 -0.069647 -0.000163 0.000175 -0.001835 0.003501 28O 1f-3 0.026158 -0.060591 0.002940 0.000337 0.001412 0.000130 29O 1s 0.000083 -0.000050 0.000119 0.000169 -0.000890 -0.000021 29O 2s 0.000214 0.000143 0.000084 0.000119 -0.000750 -0.000017 29O 3s -0.002142 -0.008684 -0.000223 -0.000358 0.011257 0.000356 29O 4s 0.006464 0.020000 0.000202 -0.000076 -0.034451 -0.003406 29O 5s -0.017526 0.072591 -0.023658 -0.030100 0.111543 0.013394 29O 1pz -0.032307 -0.037318 -0.000363 -0.000511 0.000304 0.004210 29O 1px -0.012387 -0.016928 0.000310 0.000358 0.001310 0.001893 29O 1py 0.002921 0.006558 -0.000509 -0.000364 0.008597 -0.000157 29O 2pz 0.196676 0.167651 0.001747 0.002349 -0.001970 -0.009625 29O 2px 0.072652 0.083685 -0.003720 -0.004779 -0.000174 -0.004130 29O 2py -0.017652 -0.038892 0.004485 0.005130 -0.025809 0.000084 29O 3pz 0.077133 -0.019524 -0.001013 -0.000072 -0.005403 -0.036034 29O 3px 0.029284 -0.013403 -0.000225 -0.002563 0.011696 -0.014063 29O 3py -0.002896 -0.025760 0.011578 0.015972 -0.018019 -0.001044 29O 1dz2 0.031005 0.048422 -0.003384 -0.004068 -0.000859 0.007750 29O 1dxz -0.023729 -0.038719 -0.001527 -0.001702 -0.004152 -0.012929 29O 1dyz 0.069189 0.095961 0.001592 0.001958 0.004410 -0.007546 29O 1dx2y2 -0.005064 -0.002752 -0.002736 -0.003287 0.005623 -0.005988 29O 1dxy 0.033043 0.045691 -0.000062 -0.000282 -0.012865 -0.001654 29O 2dz2 -0.078770 -0.079895 0.005608 0.006499 0.004470 -0.014994 29O 2dxz 0.066266 0.082657 0.002080 0.001954 0.011146 0.026463 29O 2dyz -0.149635 -0.153357 -0.003273 -0.004028 -0.008208 0.019418 29O 2dx2y2 0.017054 0.012346 0.005733 0.006983 -0.013785 0.012735 29O 2dxy -0.067681 -0.078983 0.001793 0.002878 0.022756 0.004731 29O 1f0 0.004775 -0.007820 0.001008 0.001231 0.000485 0.002087 29O 1f+1 0.012033 0.003817 -0.000990 -0.001220 -0.000131 0.003711 29O 1f-1 0.034063 0.029817 -0.000502 -0.000474 -0.002287 0.001912 29O 1f+2 -0.019649 -0.016405 -0.000684 -0.000841 -0.002912 -0.002379 29O 1f-2 -0.046028 -0.052445 0.000630 0.000831 0.002722 -0.003942 29O 1f+3 0.017078 0.018371 0.000964 0.000977 -0.002444 0.001891 29O 1f-3 0.020281 0.022370 0.000323 0.000424 0.008707 0.001809 30O 1s 0.003036 0.005531 0.000084 -0.000083 0.000101 -0.000245 30O 2s 0.010996 0.018371 0.000091 -0.000073 0.000107 -0.000195 30O 3s -0.154939 -0.233799 -0.001776 0.001393 -0.004878 0.004483 30O 4s 0.598196 0.425433 0.008110 -0.003533 0.044283 -0.042149 30O 5s -0.163187 1.155749 -0.009373 0.009963 -0.089979 0.219091 30O 1pz 0.007659 0.062761 -0.001352 -0.005650 0.000531 0.002343 30O 1px -0.083455 -0.062581 -0.000182 -0.001090 0.008818 -0.007243 30O 1py 0.010666 -0.076088 -0.000988 -0.004441 -0.002313 0.001852 30O 2pz -0.018854 -0.280753 0.009926 0.018084 -0.007939 -0.007013 30O 2px 0.452821 0.293596 0.002157 0.003337 -0.018559 0.024310 30O 2py -0.100400 0.325199 0.008688 0.014065 0.014977 -0.004656 30O 3pz -0.126932 -0.125978 -0.059659 0.048295 -0.055260 -0.050297 30O 3px -0.012271 0.322194 -0.009116 0.011077 -0.010291 0.040631 30O 3py 0.195926 0.110885 -0.037327 0.035993 -0.016623 -0.055703 30O 1dz2 -0.024412 -0.014965 0.007422 -0.007921 -0.000470 0.001640 30O 1dxz 0.079043 0.120999 0.003533 -0.005698 0.010357 0.005842 30O 1dyz -0.189325 0.290785 -0.003970 0.004807 0.001597 -0.004633 30O 1dx2y2 -0.171736 0.129100 0.005101 -0.006442 0.003169 0.001521 30O 1dxy -0.115497 -0.153275 0.000486 -0.002755 -0.001072 0.008665 30O 2dz2 -0.053267 0.002918 -0.025832 0.018865 0.007069 -0.003006 30O 2dxz -0.157865 -0.211728 -0.006455 0.018107 -0.029835 -0.013412 30O 2dyz 0.331884 -0.397945 0.012306 -0.012579 -0.004518 0.006271 30O 2dx2y2 0.439199 -0.141332 -0.015782 0.016527 -0.006938 0.000083 30O 2dxy 0.134772 0.252712 0.002301 0.008873 0.009570 -0.025895 30O 1f0 0.023957 0.053041 -0.000953 0.001930 -0.000071 0.002628 30O 1f+1 -0.033007 0.039725 -0.003369 -0.000962 -0.000656 0.001060 30O 1f-1 -0.082537 0.019734 0.003077 -0.007192 -0.000336 0.004109 30O 1f+2 -0.201658 0.001136 0.000298 0.001355 -0.005533 0.000728 30O 1f-2 0.064598 -0.132092 0.001624 -0.000953 0.004628 -0.001854 30O 1f+3 -0.166132 0.079487 0.001631 0.000816 -0.002995 0.003909 30O 1f-3 -0.166326 -0.050464 -0.002907 0.001763 -0.001311 0.002071 31O 1s -0.003786 0.005443 0.000087 0.000086 0.000087 -0.000240 31O 2s -0.013574 0.018054 0.000094 0.000077 0.000089 -0.000186 31O 3s 0.189365 -0.229247 -0.001843 -0.001477 -0.004416 0.004230 31O 4s -0.685218 0.409409 0.008274 0.003783 0.043150 -0.041904 31O 5s 0.062701 1.150974 -0.009243 -0.010051 -0.094802 0.223140 31O 1pz 0.013839 -0.062286 0.001378 -0.005634 -0.000507 -0.002289 31O 1px -0.096185 0.060592 0.000183 -0.001083 -0.008903 0.007363 31O 1py 0.005340 0.075918 0.000989 -0.004437 0.002312 -0.001812 31O 2pz -0.043176 0.278474 -0.009979 0.018029 0.007359 0.007150 31O 2px 0.517681 -0.282077 -0.002192 0.003275 0.019563 -0.025295 31O 2py -0.081017 -0.325170 -0.008708 0.014010 -0.014463 0.004299 31O 3pz -0.158364 0.121913 0.059798 0.049226 0.054643 0.049656 31O 3px 0.023426 -0.320352 0.008894 0.010988 0.012213 -0.041580 31O 3py 0.222957 -0.104492 0.036704 0.035900 0.017101 0.056968 31O 1dz2 0.017721 -0.013953 0.007391 0.007945 -0.000529 0.001624 31O 1dxz -0.099739 0.118963 0.003514 0.005754 0.010330 0.005807 31O 1dyz 0.180650 0.293612 -0.003949 -0.004831 0.001541 -0.004589 31O 1dx2y2 0.171750 0.131495 0.005083 0.006476 0.003214 0.001427 31O 1dxy 0.140513 -0.150035 0.000480 0.002775 -0.001085 0.008728 31O 2dz2 0.068261 0.003680 -0.025766 -0.018935 0.007305 -0.003077 31O 2dxz 0.192552 -0.207304 -0.006419 -0.018252 -0.029425 -0.013622 31O 2dyz -0.324467 -0.403337 0.012249 0.012632 -0.004210 0.006039 31O 2dx2y2 -0.459831 -0.149697 -0.015714 -0.016608 -0.007227 0.000554 31O 2dxy -0.170841 0.248325 0.002351 -0.008896 0.009267 -0.025777 31O 1f0 0.031066 -0.052307 0.000942 0.001922 0.000109 -0.002700 31O 1f+1 -0.035088 -0.040190 0.003372 -0.000962 0.000636 -0.001025 31O 1f-1 -0.086993 -0.021493 -0.003051 -0.007218 0.000339 -0.004055 31O 1f+2 -0.218785 -0.005580 -0.000301 0.001353 0.005478 -0.000645 31O 1f-2 0.059333 0.132931 -0.001609 -0.000949 -0.004677 0.001841 31O 1f+3 -0.172367 -0.082644 -0.001637 0.000795 0.002957 -0.003788 31O 1f-3 -0.185896 0.046516 0.002909 0.001770 0.001252 -0.002010 32O 1s 0.000043 -0.000092 0.000118 -0.000168 -0.000892 0.000005 32O 2s 0.000273 0.000033 0.000084 -0.000119 -0.000751 0.000005 32O 3s -0.006735 -0.007606 -0.000232 0.000375 0.011258 0.000023 32O 4s 0.014181 0.017774 0.000230 0.000022 -0.034436 -0.002561 32O 5s 0.035395 0.077971 -0.023515 0.029743 0.111928 0.010863 32O 1pz -0.035580 0.036686 0.000352 -0.000520 -0.000197 -0.004247 32O 1px -0.011932 0.016376 -0.000309 0.000343 -0.001260 -0.001884 32O 1py 0.000388 -0.005459 0.000506 -0.000364 -0.008643 0.000320 32O 2pz 0.212635 -0.164017 -0.001269 0.001790 0.001634 0.009600 32O 2px 0.068053 -0.081502 0.003849 -0.004882 -0.000000 0.004127 32O 2py -0.001880 0.034291 -0.004470 0.005095 0.025959 -0.000555 32O 3pz 0.077223 0.020948 0.001380 -0.000740 0.005844 0.036061 32O 3px 0.029368 0.013216 0.000356 -0.002821 -0.011857 0.014918 32O 3py 0.006439 0.028871 -0.011475 0.015730 0.018305 0.001093 32O 1dz2 -0.034396 0.046176 -0.003417 0.004094 -0.000917 0.008091 32O 1dxz 0.024135 -0.039191 -0.001514 0.001644 -0.004140 -0.012858 32O 1dyz -0.076191 0.095091 0.001565 -0.001911 0.004304 -0.007728 32O 1dx2y2 0.007652 -0.003519 -0.002734 0.003254 0.005696 -0.006011 32O 1dxy -0.034026 0.043512 -0.000088 0.000302 -0.012972 -0.001537 32O 2dz2 0.085067 -0.074000 0.005757 -0.006669 0.004626 -0.015939 32O 2dxz -0.067886 0.083534 0.001967 -0.001723 0.011170 0.026184 32O 2dyz 0.162418 -0.151329 -0.003080 0.003757 -0.007815 0.019793 32O 2dx2y2 -0.023258 0.014352 0.005686 -0.006860 -0.013935 0.012790 32O 2dxy 0.065600 -0.074785 0.001885 -0.002953 0.023013 0.004572 32O 1f0 0.006131 0.009282 -0.000976 0.001169 -0.000649 -0.001993 32O 1f+1 0.011945 -0.005233 0.001037 -0.001285 0.000172 -0.003865 32O 1f-1 0.040398 -0.028214 0.000512 -0.000486 0.002317 -0.002025 32O 1f+2 -0.022737 0.015666 0.000688 -0.000832 0.002674 0.002293 32O 1f-2 -0.046478 0.052039 -0.000632 0.000839 -0.002661 0.004068 32O 1f+3 0.014849 -0.015715 -0.000965 0.000971 0.002580 -0.001857 32O 1f-3 0.021362 -0.022108 -0.000335 0.000420 -0.008806 -0.001603 33O 1s 0.003872 -0.002959 -0.000048 0.000005 0.000024 -0.000045 33O 2s 0.014061 -0.008885 -0.000048 0.000001 0.000034 -0.000067 33O 3s -0.201318 0.097126 0.000831 0.000241 0.001612 0.004844 33O 4s 0.743442 0.022369 -0.002728 -0.001618 -0.036831 -0.047336 33O 5s -0.018964 -0.940939 -0.001076 -0.015378 0.120666 0.051325 33O 1pz -0.008085 0.077551 0.000787 -0.003755 0.002574 0.001657 33O 1px 0.090828 -0.013310 0.000392 -0.002294 0.006450 0.007512 33O 1py 0.030995 0.043420 -0.001343 0.006057 0.002079 0.005199 33O 2pz 0.003506 -0.355527 -0.007262 0.011129 -0.015763 -0.018984 33O 2px -0.506151 0.009296 -0.003367 0.008798 -0.014176 -0.011172 33O 2py -0.195464 -0.218375 0.010412 -0.019901 -0.010166 -0.018798 33O 3pz 0.238676 -0.010274 0.033847 0.021051 -0.046564 -0.004856 33O 3px -0.062752 0.212840 0.021196 0.022873 -0.040012 0.032505 33O 3py 0.116364 0.066639 -0.050278 -0.045671 0.036237 -0.062015 33O 1dz2 0.135797 0.253101 0.007267 0.007928 0.000212 0.004060 33O 1dxz 0.089143 -0.160102 0.003341 0.004950 -0.009464 -0.002999 33O 1dyz 0.216103 0.283210 -0.003917 -0.003769 0.000012 0.001176 33O 1dx2y2 -0.091129 -0.032445 0.005163 0.007397 -0.005891 0.007602 33O 1dxy 0.037292 -0.072266 0.000704 -0.001255 0.003230 -0.007843 33O 2dz2 -0.349881 -0.425339 -0.024390 -0.019437 -0.005092 -0.008820 33O 2dxz -0.133437 0.260419 -0.007939 -0.013962 0.027560 0.016299 33O 2dyz -0.369495 -0.413703 0.014594 0.008132 0.006206 -0.001832 33O 2dx2y2 0.292816 0.099421 -0.013383 -0.021226 0.013120 -0.018582 33O 2dxy 0.069468 0.169969 -0.006980 0.006436 -0.004903 0.026582 33O 1f0 -0.160649 -0.075737 0.003415 0.006286 0.000582 0.002648 33O 1f+1 0.153774 0.204158 0.003085 -0.000415 -0.003746 -0.004187 33O 1f-1 -0.104463 -0.071006 0.001022 -0.000079 0.001908 0.003466 33O 1f+2 0.121466 -0.016916 0.002517 0.003390 -0.001928 0.001769 33O 1f-2 0.175545 0.165878 -0.000790 0.003643 -0.004297 -0.002602 33O 1f+3 0.145082 0.072674 0.000172 0.000167 0.001801 -0.003439 33O 1f-3 0.026578 0.061366 -0.002953 0.000319 -0.001432 -0.000107 34O 1s 0.002477 0.005427 0.000014 0.000117 -0.000056 0.000028 34O 2s 0.009250 0.017734 0.000024 0.000127 -0.000065 0.000072 34O 3s -0.126166 -0.221903 -0.000527 -0.002625 0.004354 -0.004827 34O 4s 0.497484 0.361880 0.002043 0.007720 -0.053240 0.040560 34O 5s -0.280276 1.154850 0.017703 -0.015186 0.154034 -0.021611 34O 1pz 0.049066 -0.013907 0.001620 0.006297 0.005357 -0.002576 34O 1px -0.059330 -0.102052 -0.000440 0.001273 -0.004796 0.004214 34O 1py -0.051208 0.050088 0.000921 0.004063 -0.004451 0.005599 34O 2pz -0.281262 0.053757 -0.011211 -0.021044 -0.017022 0.008590 34O 2px 0.256877 0.448789 0.002500 -0.003456 0.002753 0.004101 34O 2py 0.317151 -0.219320 -0.008785 -0.012498 0.019262 -0.022167 34O 3pz 0.098283 -0.051810 0.053362 -0.042034 -0.069796 -0.043041 34O 3px 0.090075 0.363156 0.009598 -0.005189 0.000651 0.024574 34O 3py -0.172401 -0.000908 0.042261 -0.033219 0.007256 -0.060113 34O 1dz2 -0.027473 0.186134 0.007382 -0.009828 -0.008575 -0.004306 34O 1dxz 0.138640 -0.106554 0.003328 -0.001818 0.005385 0.003188 34O 1dyz -0.206052 0.081511 -0.003883 0.004516 0.003142 0.000471 34O 1dx2y2 -0.159237 -0.105739 0.005362 -0.006150 0.002116 -0.007484 34O 1dxy -0.174571 0.312055 0.000593 0.000673 -0.001034 0.008718 34O 2dz2 0.033138 -0.272217 -0.020586 0.026831 0.020203 0.005493 34O 2dxz -0.346095 0.140013 -0.014964 0.001324 -0.017677 -0.009485 34O 2dyz 0.261702 -0.098611 0.012269 -0.011359 -0.013196 0.005522 34O 2dx2y2 0.303902 0.199138 -0.016674 0.016507 -0.012585 0.022414 34O 2dxy 0.426642 -0.439300 -0.005648 -0.003982 0.005059 -0.027639 34O 1f0 0.108664 -0.014979 0.001739 0.001684 -0.002036 0.001471 34O 1f+1 -0.009686 -0.090741 0.002160 -0.002109 -0.000645 0.002920 34O 1f-1 -0.088155 0.041042 -0.003962 0.005260 0.004329 0.001521 34O 1f+2 -0.170856 0.043335 -0.000836 -0.003045 0.000459 -0.003591 34O 1f-2 0.100257 -0.000788 -0.000861 0.003286 -0.001930 0.002365 34O 1f+3 -0.198007 -0.049980 -0.000440 0.003077 0.001248 -0.002103 34O 1f-3 -0.207352 0.151545 0.003199 -0.000858 0.005053 -0.003431 35O 1s -0.002672 -0.007487 0.000017 -0.000018 0.000010 0.000255 35O 2s -0.009765 -0.025288 0.000013 -0.000015 0.000011 0.000217 35O 3s 0.128482 0.324851 -0.000178 0.000236 -0.002211 -0.005692 35O 4s -0.489264 -0.688866 0.000356 -0.000819 0.030511 0.053248 35O 5s 0.340428 -1.167373 -0.015346 0.002124 -0.089993 -0.245078 35O 1pz -0.066522 0.000709 0.000834 0.003706 -0.005522 -0.004544 35O 1px 0.072127 0.140703 0.000952 0.002096 0.004930 0.007616 35O 1py -0.014288 0.052143 -0.001231 -0.005896 0.000224 -0.001159 35O 2pz 0.396647 0.060607 -0.007329 -0.011804 0.017383 0.014610 35O 2px -0.305912 -0.623409 -0.007139 -0.006170 -0.009115 -0.022590 35O 2py 0.129203 -0.192727 0.009158 0.018854 0.002575 0.003410 35O 3pz -0.180719 -0.043316 0.039960 -0.032578 0.049020 0.023041 35O 3px -0.068593 -0.486546 0.024371 -0.025027 0.016125 -0.062201 35O 3py -0.139946 -0.203464 -0.056314 0.045258 -0.040530 0.059646 35O 1dz2 -0.172384 -0.161002 0.007512 -0.009681 0.008792 -0.001888 35O 1dxz -0.145635 0.148325 0.003675 -0.003121 -0.004478 -0.003297 35O 1dyz -0.267799 0.062691 -0.003854 0.005598 -0.004944 0.003864 35O 1dx2y2 0.137552 0.159561 0.005251 -0.005080 -0.002917 0.000026 35O 1dxy -0.059044 0.256001 0.000769 -0.002620 0.002281 -0.009327 35O 2dz2 0.254501 0.273280 -0.021531 0.026110 -0.022726 -0.001324 35O 2dxz 0.412294 -0.091402 -0.013707 0.006621 0.016893 0.009943 35O 2dyz 0.430812 -0.037082 0.010158 -0.015793 0.007941 -0.013643 35O 2dx2y2 -0.309172 -0.325180 -0.019344 0.011697 0.011079 -0.003823 35O 2dxy 0.141090 -0.352912 0.001764 0.009652 -0.004759 0.024513 35O 1f0 -0.181095 -0.022972 0.004168 -0.002917 0.004835 0.001838 35O 1f+1 0.155095 0.148002 0.001947 -0.002769 -0.001963 0.000107 35O 1f-1 -0.014024 0.049875 0.000251 -0.001905 0.000982 0.000698 35O 1f+2 0.111876 -0.006588 0.002150 -0.005107 -0.000223 -0.003013 35O 1f-2 0.225770 0.051824 0.000324 -0.001432 -0.001544 -0.006594 35O 1f+3 0.176692 0.095481 0.001270 0.003808 -0.002951 -0.001127 35O 1f-3 0.003712 0.131029 -0.002176 0.000790 0.003398 0.001705 744 745 746 747 748 749 14.22488 14.22884 14.35986 14.42055 14.44106 14.51124 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s 0.000141 -0.000044 -0.000049 -0.000005 0.000007 0.000265 0Rh 2s 0.000218 -0.000058 0.000059 -0.000014 0.000012 -0.001305 0Rh 3s 0.001022 -0.000314 -0.000288 -0.000039 0.000050 0.000977 0Rh 4s 0.000587 -0.000258 -0.001841 0.000022 0.000017 0.013452 0Rh 5s -0.005225 0.002006 0.013955 0.000006 -0.000194 -0.064949 0Rh 6s 0.005803 -0.002944 -0.042903 0.000243 0.000133 0.160535 0Rh 7s -0.008497 0.006138 0.143965 -0.000938 -0.001296 -0.692950 0Rh 8s 0.132411 0.007335 0.272519 -0.001661 0.003490 0.106853 0Rh 1pz 0.000335 -0.002608 0.000476 0.000097 -0.000016 -0.000581 0Rh 1px -0.000337 -0.000900 -0.001634 0.000018 -0.000008 0.001578 0Rh 1py 0.002617 0.000238 -0.000488 0.000086 -0.000023 0.000287 0Rh 2pz -0.001532 0.011852 -0.002288 -0.000438 0.000073 0.002751 0Rh 2px 0.001559 0.004091 0.007809 -0.000082 0.000038 -0.007526 0Rh 2py -0.011891 -0.001084 0.002284 -0.000387 0.000102 -0.001370 0Rh 3pz 0.007433 -0.055497 0.013250 0.001922 -0.000323 -0.015798 0Rh 3px -0.007936 -0.019204 -0.044280 0.000395 -0.000225 0.044602 0Rh 3py 0.055730 0.005115 -0.011962 0.001772 -0.000460 0.008174 0Rh 4pz -0.016134 0.115490 -0.034953 -0.003549 0.000697 0.041723 0Rh 4px 0.018326 0.040119 0.114459 -0.000815 0.000630 -0.121128 0Rh 4py -0.116153 -0.010769 0.028199 -0.003643 0.000938 -0.022401 0Rh 5pz 0.018575 -0.132139 0.047577 0.003032 -0.001466 -0.057043 0Rh 5px -0.022096 -0.046649 -0.151136 0.000727 -0.001132 0.169765 0Rh 5py 0.133454 0.012601 -0.031777 0.004401 -0.001011 0.032929 0Rh 6pz 0.019041 0.108178 0.060089 -0.001157 0.013459 -0.065502 0Rh 6px -0.045427 0.052092 -0.325029 -0.000989 0.007872 0.108618 0Rh 6py -0.109049 -0.007638 -0.139580 0.002191 -0.021703 -0.047052 0Rh 1dz2 -0.056769 0.336174 -0.238200 0.232967 -0.239878 -0.240435 0Rh 1dxz 0.089337 -0.516759 -0.338127 -0.031567 0.029516 -0.330224 0Rh 1dyz -0.188545 -0.146257 -0.038696 0.568136 -0.574152 -0.055071 0Rh 1dx2y2 -0.143145 -0.206391 0.498891 0.081673 -0.080188 0.493252 0Rh 1dxy 0.612367 0.021003 0.131454 0.224237 -0.222225 0.163887 0Rh 2dz2 0.118310 -0.700689 0.500438 -0.491750 0.507118 0.510430 0Rh 2dxz -0.186324 1.077724 0.710841 0.066624 -0.062375 0.701469 0Rh 2dyz 0.393119 0.304960 0.081300 -1.199436 1.214061 0.116954 0Rh 2dx2y2 0.298307 0.430121 -1.048110 -0.172469 0.169613 -1.047105 0Rh 2dxy -1.276829 -0.043793 -0.276353 -0.473454 0.469955 -0.348181 0Rh 3dz2 -0.109617 0.649913 -0.475754 0.474255 -0.491610 -0.500742 0Rh 3dxz 0.172960 -1.000580 -0.676531 -0.064212 0.060340 -0.688800 0Rh 3dyz -0.364743 -0.283056 -0.077321 1.157163 -1.177639 -0.114839 0Rh 3dx2y2 -0.276502 -0.398771 0.996429 0.166472 -0.164645 1.027201 0Rh 3dxy 1.184567 0.040686 0.263156 0.456819 -0.455933 0.342085 0Rh 4dz2 0.062516 -0.371786 0.301206 -0.311859 0.330224 0.343670 0Rh 4dxz -0.098883 0.573625 0.429294 0.042094 -0.039940 0.473816 0Rh 4dyz 0.208923 0.162132 0.049430 -0.761215 0.792709 0.079016 0Rh 4dx2y2 0.157331 0.227436 -0.630717 -0.109728 0.111215 -0.705168 0Rh 4dxy -0.677565 -0.023580 -0.168837 -0.300585 0.307060 -0.235587 0Rh 5dz2 -0.035062 0.179640 -0.281152 0.264678 -0.297847 -0.260329 0Rh 5dxz 0.041658 -0.277619 -0.397364 -0.034736 0.033167 -0.360466 0Rh 5dyz -0.105056 -0.079028 -0.053254 0.645343 -0.719258 -0.060548 0Rh 5dx2y2 -0.065614 -0.108321 0.584639 0.093414 -0.101709 0.534735 0Rh 5dxy 0.328624 0.012133 0.178663 0.254711 -0.278784 0.178333 0Rh 1f0 0.000052 0.003136 -0.009843 -0.000416 -0.002082 0.004877 0Rh 1f+1 0.000172 0.005696 0.007712 0.000238 0.002362 -0.004196 0Rh 1f-1 0.000726 -0.000820 0.000399 -0.000407 -0.002894 -0.001434 0Rh 1f+2 0.003314 -0.002352 0.011664 -0.000277 -0.001651 -0.006698 0Rh 1f-2 -0.001150 -0.001370 0.004316 0.001081 0.005746 -0.002814 0Rh 1f+3 0.003811 0.001370 0.013978 -0.000229 -0.000551 -0.007732 0Rh 1f-3 -0.004932 0.000214 0.009514 -0.000544 -0.003408 -0.004765 1Rh 1s -0.000138 0.000045 0.000049 -0.000005 -0.000008 0.000264 1Rh 2s -0.000213 0.000060 -0.000058 -0.000013 -0.000014 -0.001305 1Rh 3s -0.000998 0.000323 0.000289 -0.000038 -0.000058 0.000969 1Rh 4s -0.000566 0.000264 0.001835 0.000024 -0.000022 0.013433 1Rh 5s 0.005060 -0.002063 -0.013909 -0.000014 0.000241 -0.064867 1Rh 6s -0.005535 0.003040 0.042725 0.000291 -0.000205 0.160446 1Rh 7s 0.007314 -0.006380 -0.143129 -0.001153 0.001793 -0.692701 1Rh 8s -0.132158 -0.007869 -0.272381 -0.002119 -0.003888 0.106048 1Rh 1pz 0.000324 -0.002617 0.000474 -0.000099 -0.000016 0.000576 1Rh 1px -0.000345 -0.000904 -0.001628 -0.000020 -0.000006 -0.001582 1Rh 1py 0.002623 0.000245 -0.000486 -0.000084 -0.000019 -0.000287 1Rh 2pz -0.001487 0.011888 -0.002280 0.000448 0.000072 -0.002726 1Rh 2px 0.001595 0.004110 0.007781 0.000091 0.000029 0.007545 1Rh 2py -0.011918 -0.001114 0.002273 0.000380 0.000085 0.001372 1Rh 3pz 0.007267 -0.055634 0.013206 -0.001966 -0.000318 0.015695 1Rh 3px -0.008094 -0.019278 -0.044138 -0.000439 -0.000187 -0.044700 1Rh 3py 0.055829 0.005228 -0.011904 -0.001744 -0.000386 -0.008182 1Rh 4pz -0.015967 0.115657 -0.034860 0.003630 0.000694 -0.041544 1Rh 4px 0.018610 0.040224 0.114126 0.000914 0.000552 0.121358 1Rh 4py -0.116259 -0.010896 0.028063 0.003611 0.000797 0.022416 1Rh 5pz 0.018967 -0.131927 0.047553 -0.003123 -0.001491 0.056893 1Rh 5px -0.022261 -0.046602 -0.150700 -0.000829 -0.001028 -0.170053 1Rh 5py 0.133262 0.012365 -0.031596 -0.004410 -0.000853 -0.032911 1Rh 6pz 0.013883 0.103247 0.056660 0.001545 0.013951 0.066532 1Rh 6px -0.046933 0.050095 -0.325954 0.000308 0.007502 -0.108478 1Rh 6py -0.106150 -0.003386 -0.138868 -0.002441 -0.021451 0.045638 1Rh 1dz2 0.061028 -0.333557 0.239012 0.235124 0.237333 -0.240116 1Rh 1dxz -0.095782 0.511975 0.337685 -0.031598 -0.029199 -0.329548 1Rh 1dyz 0.185620 0.143404 0.038463 0.573668 0.568930 -0.055153 1Rh 1dx2y2 0.139581 0.202406 -0.499945 0.082055 0.079511 0.492435 1Rh 1dxy -0.608627 -0.016168 -0.132478 0.226366 0.219871 0.163801 1Rh 2dz2 -0.127189 0.695238 -0.502156 -0.496307 -0.501742 0.509762 1Rh 2dxz 0.199768 -1.067750 -0.709923 0.066690 0.061705 0.700044 1Rh 2dyz -0.387022 -0.299010 -0.080812 -1.211125 -1.203032 0.117129 1Rh 2dx2y2 -0.290881 -0.421817 1.050346 -0.173279 -0.168183 -1.045391 1Rh 2dxy 1.269035 0.033705 0.278512 -0.477954 -0.464982 -0.348003 1Rh 3dz2 0.117871 -0.644857 0.477418 0.478666 0.486416 -0.500114 1Rh 3dxz -0.185474 0.991314 0.675688 -0.064279 -0.059693 -0.687438 1Rh 3dyz 0.359080 0.277524 0.076857 1.168482 1.166981 -0.115013 1Rh 3dx2y2 0.269611 0.391060 -0.998617 0.167263 0.163260 1.025580 1Rh 3dxy -1.177338 -0.031291 -0.265230 0.461176 0.451125 0.341926 1Rh 4dz2 -0.067362 0.368835 -0.302327 -0.314813 -0.326793 0.343298 1Rh 4dxz 0.106266 -0.568202 -0.428828 0.042150 0.039513 0.472967 1Rh 4dyz -0.205606 -0.158883 -0.049132 -0.768792 -0.785666 0.079131 1Rh 4dx2y2 -0.153306 -0.222930 0.632238 -0.110270 -0.110291 -0.704191 1Rh 4dxy 0.673360 0.018027 0.170192 -0.303493 -0.303878 -0.235514 1Rh 5dz2 0.038052 -0.177762 0.282013 0.267329 0.294886 -0.259980 1Rh 5dxz -0.046382 0.274278 0.397050 -0.034797 -0.032818 -0.359855 1Rh 5dyz 0.102847 0.076898 0.052998 0.652027 0.713155 -0.060614 1Rh 5dx2y2 0.063048 0.105502 -0.585822 0.093833 0.100861 0.533933 1Rh 5dxy -0.326110 -0.008600 -0.179668 0.257190 0.276013 0.178250 1Rh 1f0 0.000142 0.003219 -0.009818 0.000387 -0.002093 -0.004879 1Rh 1f+1 0.000300 0.005793 0.007709 -0.000210 0.002355 0.004232 1Rh 1f-1 0.000730 -0.000821 0.000383 0.000371 -0.002904 0.001430 1Rh 1f+2 0.003276 -0.002353 0.011659 0.000260 -0.001657 0.006705 1Rh 1f-2 -0.001244 -0.001436 0.004328 -0.001035 0.005747 0.002805 1Rh 1f+3 0.003887 0.001441 0.013936 0.000235 -0.000558 0.007761 1Rh 1f-3 -0.004972 0.000142 0.009514 0.000521 -0.003401 0.004788 2C 1s -0.002832 0.003203 0.000505 -0.002105 0.001144 -0.000940 2C 2s 0.002045 -0.002297 -0.000340 0.001975 -0.000639 0.000826 2C 3s -0.071947 0.080121 0.006855 -0.117606 0.000033 -0.054756 2C 4s 0.472282 -0.526718 -0.046867 0.685147 -0.003476 0.290710 2C 5s -0.490181 0.635038 -0.010229 0.021005 -0.105584 0.135648 2C 1pz -0.004454 0.006694 0.001486 -0.012277 0.000468 -0.009646 2C 1px -0.001441 0.003198 0.000212 -0.001217 -0.001792 -0.003691 2C 1py -0.005208 0.001254 0.000607 -0.008503 -0.000430 -0.005855 2C 2pz 0.263435 -0.303458 -0.026363 0.358413 0.014982 0.194864 2C 2px 0.057046 -0.084594 -0.045248 0.065910 -0.014203 0.060616 2C 2py 0.186967 -0.177448 -0.028475 0.242807 0.003164 0.123445 2C 3pz -0.107214 0.107204 -0.013050 0.044123 -0.024747 0.051676 2C 3px -0.031840 0.038800 0.062127 0.059714 0.027445 -0.016835 2C 3py -0.031348 0.096338 0.006002 0.023097 -0.006229 0.040079 2C 1dz2 0.009504 -0.004513 0.001509 0.008948 0.002608 0.003351 2C 1dxz 0.004237 -0.003400 -0.003943 0.003575 -0.002807 0.002792 2C 1dyz 0.006712 -0.011230 -0.001522 0.014231 -0.000537 0.004369 2C 1dx2y2 -0.002619 0.006830 -0.001092 -0.002985 -0.002000 -0.003207 2C 1dxy 0.001641 -0.000555 -0.002922 0.003486 -0.002358 0.000372 2C 2dz2 0.048601 -0.080526 -0.009149 0.078797 -0.001041 0.044631 2C 2dxz 0.017218 -0.017276 0.005793 0.042344 0.011239 0.006585 2C 2dyz 0.108214 -0.106160 -0.018585 0.116230 0.006467 0.081115 2C 2dx2y2 -0.031364 0.012606 -0.002880 -0.035705 -0.000550 -0.011794 2C 2dxy 0.015943 -0.030115 0.000453 0.023308 0.008110 0.020646 2C 1f0 0.002192 -0.006509 -0.001430 0.004636 -0.002005 0.002198 2C 1f+1 0.006566 -0.008457 -0.001708 0.005336 0.000766 0.005826 2C 1f-1 0.013761 -0.015405 -0.000549 0.022014 0.000524 0.009600 2C 1f+2 -0.011556 0.010975 0.001919 -0.011694 0.001555 -0.008196 2C 1f-2 0.005384 -0.006072 0.000257 0.009607 0.000461 0.004697 2C 1f+3 0.000634 -0.000684 -0.000660 0.001703 0.002006 0.000442 2C 1f-3 0.004674 -0.004268 -0.002149 0.000679 -0.001266 0.003548 3C 1s 0.003188 0.002910 0.000011 0.002151 -0.000855 -0.000805 3C 2s -0.002266 -0.002102 0.000080 -0.001999 0.000504 0.000751 3C 3s 0.077452 0.072533 -0.013591 0.117307 -0.004105 -0.055057 3C 4s -0.511279 -0.476760 0.077217 -0.684851 0.023780 0.293420 3C 5s 0.623358 0.509510 -0.079262 -0.023639 0.063321 0.125014 3C 1pz -0.000092 0.004262 -0.000367 0.008318 -0.000634 -0.003868 3C 1px 0.001868 0.002678 -0.000999 0.003908 0.001649 -0.004405 3C 1py -0.007227 -0.004803 0.000895 -0.011739 0.000677 0.010392 3C 2pz -0.135906 -0.160730 0.032805 -0.219487 -0.004043 0.096703 3C 2px -0.119173 -0.110584 -0.017806 -0.131833 0.017717 0.080576 3C 2py 0.303698 0.269463 -0.043333 0.354728 0.001080 -0.206800 3C 3pz 0.069754 0.021634 -0.022829 0.010471 0.017761 0.051897 3C 3px 0.070151 0.035454 0.046517 -0.046992 -0.025724 0.000671 3C 3py -0.110143 -0.115903 0.016697 0.060022 -0.013709 -0.042152 3C 1dz2 -0.002015 0.004096 0.001452 0.003656 -0.001129 0.000336 3C 1dxz -0.005752 -0.002961 0.000091 -0.003848 -0.000015 0.002854 3C 1dyz 0.008954 0.006025 -0.002145 0.012831 0.000809 -0.003627 3C 1dx2y2 0.006058 0.008837 -0.003655 0.008117 0.002376 -0.004519 3C 1dxy 0.006620 0.005139 0.003515 0.007628 -0.003985 -0.002988 3C 2dz2 0.039159 0.005193 -0.004880 0.024130 0.003666 -0.019387 3C 2dxz -0.018195 -0.030328 0.011351 -0.038977 -0.005140 0.017129 3C 2dyz 0.103211 0.100775 -0.008345 0.097626 -0.002981 -0.081394 3C 2dx2y2 0.060850 0.049352 -0.007180 0.081113 -0.004348 -0.035422 3C 2dxy 0.047124 0.051878 -0.009451 0.070633 0.010542 -0.032949 3C 1f0 0.006199 0.005343 -0.000956 0.012201 0.000591 -0.003469 3C 1f+1 -0.002980 -0.003714 -0.000825 0.000264 0.002053 0.002880 3C 1f-1 0.000064 0.003266 -0.000247 0.000253 0.000444 -0.001775 3C 1f+2 0.011108 0.010344 -0.002547 0.016777 -0.002176 -0.007663 3C 1f-2 0.011209 0.011569 -0.001331 0.012930 -0.000351 -0.008238 3C 1f+3 -0.010934 -0.010234 0.001770 -0.011621 -0.001026 0.007503 3C 1f-3 0.009314 0.006418 0.000423 0.005629 -0.001970 -0.005631 4C 1s -0.004602 0.005170 0.000751 -0.007426 0.000480 -0.002446 4C 2s 0.001933 -0.002200 -0.000365 0.003257 -0.000254 0.000589 4C 3s 0.106150 -0.128550 -0.009674 0.242507 -0.001470 0.155631 4C 4s -0.375687 0.461421 0.025361 -0.972665 -0.011097 -0.748144 4C 5s 0.192298 -0.248528 -0.064002 -0.148964 0.043414 -0.230778 4C 1pz -0.013161 0.015102 -0.000368 -0.011200 0.003030 0.001637 4C 1px -0.002282 0.003787 0.005884 -0.001932 -0.010416 0.000566 4C 1py -0.009782 0.008594 0.002199 -0.007454 -0.001744 0.001072 4C 2pz 0.275846 -0.266741 0.035248 0.241682 0.008786 0.027514 4C 2px 0.027392 -0.095313 -0.236670 0.057332 -0.005223 0.003645 4C 2py 0.165457 -0.196534 -0.067233 0.164639 0.002097 0.015308 4C 3pz -0.276234 0.423798 0.031345 0.208951 -0.058639 -0.044745 4C 3px -0.073650 0.056019 -0.104461 0.032561 0.087540 -0.029291 4C 3py -0.251303 0.234605 -0.016917 0.141414 -0.005673 -0.045334 4C 1dz2 0.013267 -0.007670 0.000535 0.012455 0.000944 0.006043 4C 1dxz 0.007054 -0.007116 -0.004281 0.010231 -0.002897 0.005870 4C 1dyz 0.012529 -0.018396 -0.001633 0.014708 -0.000159 0.000019 4C 1dx2y2 -0.005142 0.011896 0.000874 -0.014365 -0.000019 -0.011635 4C 1dxy 0.001242 -0.002828 -0.002426 -0.001309 -0.001855 -0.005257 4C 2dz2 -0.117895 0.119269 0.082060 -0.093934 0.032121 -0.071209 4C 2dxz -0.076600 0.042249 -0.100475 0.004490 -0.049882 -0.012516 4C 2dyz -0.172480 0.209600 0.026448 -0.214341 0.001794 -0.126561 4C 2dx2y2 0.049066 -0.064197 -0.021149 -0.032699 -0.004900 0.004325 4C 2dxy -0.045705 0.040174 -0.084708 -0.081803 -0.041401 -0.038475 4C 1f0 0.008550 -0.007052 0.003788 0.017293 0.012399 0.010183 4C 1f+1 0.012785 -0.015449 -0.006168 0.035617 -0.012524 0.017342 4C 1f-1 0.012444 -0.011890 0.005529 0.023785 0.005425 0.012749 4C 1f+2 -0.011074 0.017875 0.005919 -0.034912 -0.007495 -0.018745 4C 1f-2 0.002712 -0.005836 -0.014909 0.008245 -0.015784 0.003824 4C 1f+3 0.000005 0.000540 0.002901 -0.000635 -0.011681 -0.001021 4C 1f-3 0.009831 -0.011805 0.008405 0.027813 -0.001246 0.013486 5C 1s 0.005065 0.004601 -0.000470 0.007416 -0.000413 -0.002521 5C 2s -0.002158 -0.001931 0.000232 -0.003259 0.000205 0.000616 5C 3s -0.128144 -0.109780 0.019099 -0.241337 0.000565 0.154687 5C 4s 0.463915 0.393969 -0.088906 0.967872 0.015020 -0.740922 5C 5s -0.244365 -0.194542 0.031699 0.151785 -0.004034 -0.217065 5C 1pz 0.007005 0.008818 -0.002418 0.006324 -0.003772 0.001031 5C 1px 0.005086 0.005764 0.004827 0.004636 0.009964 0.000607 5C 1py -0.014638 -0.013252 0.002981 -0.011262 0.002839 -0.001663 5C 2pz -0.150972 -0.156498 0.086706 -0.140151 0.004288 0.021095 5C 2px -0.129634 -0.079221 -0.209033 -0.100005 0.011214 -0.007489 5C 2py 0.263372 0.273195 -0.069624 0.244531 -0.010200 -0.036167 5C 3pz 0.229891 0.231158 0.013178 -0.131955 0.045845 -0.041812 5C 3px 0.087385 0.133223 -0.103839 -0.076161 -0.081122 -0.008582 5C 3py -0.422716 -0.296497 0.006822 0.204989 -0.041293 0.049262 5C 1dz2 -0.002911 0.003363 0.001608 -0.003338 -0.001120 0.005544 5C 1dxz -0.010404 -0.004725 0.000073 -0.011249 0.001374 0.007995 5C 1dyz 0.015157 0.010539 -0.002040 0.010686 0.000798 0.002258 5C 1dx2y2 0.011108 0.014386 -0.003626 0.017373 0.001428 -0.010622 5C 1dxy 0.010804 0.008309 0.001849 0.011339 -0.002755 -0.003270 5C 2dz2 -0.028452 -0.047190 0.047323 -0.089522 -0.020122 0.047424 5C 2dxz 0.062472 0.059349 -0.064284 0.007272 0.022903 -0.028049 5C 2dyz -0.188644 -0.148409 -0.030751 -0.212229 0.025492 0.115612 5C 2dx2y2 -0.112764 -0.117993 -0.054192 -0.039167 0.036653 0.043894 5C 2dxy -0.100426 -0.112683 0.120105 -0.087328 -0.046549 0.070977 5C 1f0 0.000941 0.002245 -0.006009 -0.000730 -0.004728 -0.001593 5C 1f+1 -0.009299 -0.006983 0.007281 -0.020663 0.001977 0.011272 5C 1f-1 0.000931 -0.000658 -0.007355 0.002937 0.007298 -0.001099 5C 1f+2 0.007362 0.007883 -0.004545 0.016318 0.014282 -0.007745 5C 1f-2 0.017610 0.011441 0.011944 0.032731 -0.007609 -0.016030 5C 1f+3 -0.016925 -0.015288 0.001480 -0.035214 0.014247 0.019370 5C 1f-3 0.013259 0.013917 -0.010374 0.033893 0.014867 -0.016597 6C 1s -0.005095 -0.004614 0.000485 0.007417 0.000350 -0.002511 6C 2s 0.002172 0.001938 -0.000238 -0.003258 -0.000177 0.000611 6C 3s 0.127494 0.109535 -0.018924 -0.241357 0.001726 0.155346 6C 4s -0.459522 -0.392142 0.087692 0.967831 -0.024580 -0.744794 6C 5s 0.247510 0.196244 -0.032429 0.151854 0.003440 -0.219127 6C 1pz 0.007050 0.008855 -0.002437 -0.006365 -0.003733 -0.001039 6C 1px 0.004970 0.005663 0.004855 -0.004542 0.010019 -0.000587 6C 1py -0.014695 -0.013254 0.002999 0.011275 0.002745 0.001688 6C 2pz -0.152165 -0.156658 0.087804 0.140171 0.003211 -0.020173 6C 2px -0.129274 -0.079574 -0.210835 0.100074 0.009922 0.006674 6C 2py 0.265093 0.273436 -0.070646 -0.244474 -0.008126 0.034911 6C 3pz 0.228503 0.231279 0.014179 0.131813 0.045304 0.043003 6C 3px 0.085610 0.131445 -0.104879 0.074939 -0.081796 0.008518 6C 3py -0.420439 -0.296072 0.005309 -0.204959 -0.040460 -0.051200 6C 1dz2 0.002906 -0.003343 -0.001630 -0.003312 0.001141 0.005553 6C 1dxz 0.010302 0.004657 -0.000016 -0.011262 -0.001264 0.008054 6C 1dyz -0.015253 -0.010583 0.002089 0.010680 -0.000877 0.002308 6C 1dx2y2 -0.011161 -0.014425 0.003669 0.017359 -0.001574 -0.010640 6C 1dxy -0.010666 -0.008230 -0.001945 0.011367 0.002636 -0.003315 6C 2dz2 0.027826 0.046816 -0.047338 -0.089423 0.021036 0.047713 6C 2dxz -0.062874 -0.059116 0.064888 0.006957 -0.022807 -0.027462 6C 2dyz 0.188567 0.148452 0.030961 -0.212417 -0.023514 0.115946 6C 2dx2y2 0.113929 0.118472 0.053907 -0.039423 -0.036409 0.043443 6C 2dxy 0.100801 0.112386 -0.120758 -0.086988 0.047221 0.070436 6C 1f0 0.001046 0.002222 -0.006090 0.000665 -0.004745 0.001503 6C 1f+1 -0.009226 -0.006915 0.007270 0.020686 0.001770 -0.011329 6C 1f-1 0.000900 -0.000676 -0.007383 -0.002867 0.007322 0.001085 6C 1f+2 0.007357 0.007915 -0.004529 -0.016151 0.014429 0.007732 6C 1f-2 0.017583 0.011484 0.012059 -0.032811 -0.007271 0.016182 6C 1f+3 -0.016715 -0.015166 0.001501 0.035344 0.013922 -0.019477 6C 1f-3 0.013171 0.013884 -0.010323 -0.033761 0.015191 0.016686 7C 1s 0.004616 -0.005172 -0.000753 -0.007436 -0.000425 -0.002453 7C 2s -0.001941 0.002200 0.000368 0.003262 0.000231 0.000595 7C 3s -0.105475 0.128825 0.008858 0.242763 -0.000745 0.156427 7C 4s 0.371621 -0.462999 -0.021171 -0.973582 0.020365 -0.752307 7C 5s -0.195507 0.247514 0.066083 -0.148710 -0.042609 -0.231315 7C 1pz -0.013029 0.015130 -0.000382 0.011206 0.002927 -0.001625 7C 1px -0.002325 0.003742 0.005894 0.001810 -0.010447 -0.000568 7C 1py -0.009818 0.008698 0.002206 0.007478 -0.001816 -0.001065 7C 2pz 0.274510 -0.267064 0.035686 -0.241188 0.010845 -0.027058 7C 2px 0.027918 -0.094959 -0.238714 -0.057293 -0.004102 -0.002978 7C 2py 0.166244 -0.198049 -0.067879 -0.165503 0.003791 -0.015218 7C 3pz -0.273752 0.423898 0.031392 -0.209234 -0.058158 0.045507 7C 3px -0.072821 0.055004 -0.105888 -0.031690 0.088155 0.029797 7C 3py -0.250179 0.235116 -0.017776 -0.141351 -0.005204 0.045367 7C 1dz2 -0.013231 0.007715 -0.000579 0.012476 -0.001039 0.006095 7C 1dxz -0.007134 0.007111 0.004301 0.010288 0.002783 0.005868 7C 1dyz -0.012538 0.018333 0.001629 0.014700 0.000032 0.000011 7C 1dx2y2 0.005059 -0.011898 -0.000824 -0.014383 0.000116 -0.011731 7C 1dxy -0.001325 0.002808 0.002533 -0.001286 0.001862 -0.005324 7C 2dz2 0.117017 -0.119091 -0.082209 -0.093634 -0.031204 -0.070507 7C 2dxz 0.076698 -0.042008 0.100830 0.005387 0.049659 -0.011933 7C 2dyz 0.172460 -0.210068 -0.026119 -0.215002 0.000142 -0.127241 7C 2dx2y2 -0.049365 0.065084 0.021608 -0.032152 0.005383 0.004448 7C 2dxy 0.045057 -0.040550 0.085457 -0.081320 0.042111 -0.038699 7C 1f0 0.008459 -0.006882 0.003817 -0.017039 0.012542 -0.010127 7C 1f+1 0.012569 -0.015486 -0.005999 -0.035646 -0.012186 -0.017411 7C 1f-1 0.012320 -0.011967 0.005622 -0.023735 0.005652 -0.012789 7C 1f+2 -0.011103 0.017978 0.005906 0.034973 -0.007849 0.018918 7C 1f-2 0.002741 -0.005753 -0.014922 -0.008433 -0.015710 -0.003833 7C 1f+3 0.000149 0.000620 0.002963 0.000538 -0.011725 0.001045 7C 1f-3 0.009796 -0.011824 0.008578 -0.027951 -0.001017 -0.013664 8C 1s -0.003182 -0.002904 -0.000012 0.002156 0.000857 -0.000814 8C 2s 0.002263 0.002098 -0.000080 -0.002002 -0.000498 0.000756 8C 3s -0.077557 -0.072542 0.013717 0.117317 0.003050 -0.055030 8C 4s 0.512169 0.476798 -0.078021 -0.684868 -0.017669 0.293136 8C 5s -0.622096 -0.509795 0.078385 -0.023541 -0.065768 0.123879 8C 1pz -0.000076 0.004259 -0.000389 -0.008295 -0.000557 0.003892 8C 1px 0.001896 0.002710 -0.000983 -0.003874 0.001678 0.004444 8C 1py -0.007218 -0.004782 0.000904 0.011766 0.000576 -0.010358 8C 2pz -0.136224 -0.160649 0.033114 0.219138 -0.006124 -0.096839 8C 2px -0.120058 -0.111237 -0.017729 0.131873 0.016511 -0.080974 8C 2py 0.303922 0.269113 -0.043670 -0.354846 0.004381 0.206330 8C 3pz 0.069395 0.021376 -0.022651 -0.010000 0.018178 -0.051533 8C 3px 0.070978 0.036380 0.046783 0.047681 -0.026084 0.000087 8C 3py -0.109656 -0.115719 0.016481 -0.059386 -0.013535 0.042243 8C 1dz2 0.001998 -0.004113 -0.001470 0.003660 0.001129 0.000315 8C 1dxz 0.005755 0.002970 -0.000092 -0.003849 0.000040 0.002845 8C 1dyz -0.008960 -0.006003 0.002127 0.012826 -0.000913 -0.003622 8C 1dx2y2 -0.006033 -0.008818 0.003678 0.008091 -0.002469 -0.004517 8C 1dxy -0.006681 -0.005172 -0.003487 0.007656 0.003894 -0.002996 8C 2dz2 -0.039242 -0.005210 0.004756 0.024128 -0.003911 -0.019381 8C 2dxz 0.018273 0.030070 -0.011368 -0.038951 0.005541 0.017048 8C 2dyz -0.103288 -0.100780 0.008381 0.097723 0.002011 -0.081299 8C 2dx2y2 -0.061120 -0.049370 0.007344 0.080969 0.003536 -0.035591 8C 2dxy -0.047041 -0.051885 0.009547 0.070596 -0.011227 -0.032843 8C 1f0 0.006178 0.005335 -0.000979 -0.012174 0.000770 0.003488 8C 1f+1 -0.002982 -0.003695 -0.000821 -0.000276 0.002027 -0.002846 8C 1f-1 0.000043 0.003237 -0.000227 -0.000271 0.000455 0.001768 8C 1f+2 0.011065 0.010308 -0.002560 -0.016776 -0.002035 0.007672 8C 1f-2 0.011264 0.011601 -0.001367 -0.012965 -0.000285 0.008237 8C 1f+3 -0.010982 -0.010250 0.001762 0.011600 -0.001125 -0.007482 8C 1f-3 0.009326 0.006405 0.000433 -0.005663 -0.001931 0.005636 9C 1s 0.002824 -0.003203 -0.000504 -0.002109 -0.001151 -0.000954 9C 2s -0.002038 0.002299 0.000338 0.001978 0.000635 0.000836 9C 3s 0.071691 -0.080394 -0.006531 -0.117726 0.001032 -0.054955 9C 4s -0.470942 0.528136 0.045379 0.685775 -0.002600 0.291683 9C 5s 0.489695 -0.634841 0.010651 0.020891 0.108258 0.135080 9C 1pz -0.004348 0.006680 0.001424 0.012293 0.000354 0.009603 9C 1px -0.001414 0.003187 0.000228 0.001170 -0.001798 0.003685 9C 1py -0.005236 0.001409 0.000624 0.008507 -0.000508 0.005969 9C 2pz 0.261439 -0.303241 -0.025468 -0.358095 0.018380 -0.194291 9C 2px 0.056281 -0.084376 -0.045308 -0.065629 -0.013591 -0.060500 9C 2py 0.187646 -0.180162 -0.028562 -0.243789 0.005566 -0.125116 9C 3pz -0.106868 0.106022 -0.013315 -0.043057 -0.024896 -0.052156 9C 3px -0.031538 0.038864 0.062708 -0.059754 0.028046 0.017051 9C 3py -0.032096 0.097501 0.006686 -0.024894 -0.006314 -0.039115 9C 1dz2 -0.009480 0.004474 -0.001508 0.008869 -0.002678 0.003344 9C 1dxz -0.004214 0.003399 0.003902 0.003575 0.002724 0.002798 9C 1dyz -0.006707 0.011264 0.001496 0.014279 0.000381 0.004390 9C 1dx2y2 0.002678 -0.006833 0.001083 -0.003018 0.002018 -0.003220 9C 1dxy -0.001593 0.000545 0.002983 0.003504 0.002411 0.000377 9C 2dz2 -0.047828 0.080526 0.009034 0.078047 0.000272 0.044639 9C 2dxz -0.016761 0.017119 -0.005981 0.041755 -0.011587 0.006550 9C 2dyz -0.108053 0.106749 0.018392 0.116848 -0.007688 0.081232 9C 2dx2y2 0.031310 -0.013286 0.002962 -0.036264 0.000964 -0.011923 9C 2dxy -0.015587 0.029907 -0.000375 0.023379 -0.008412 0.020387 9C 1f0 0.002102 -0.006442 -0.001416 -0.004468 -0.001967 -0.002205 9C 1f+1 0.006468 -0.008419 -0.001743 -0.005264 0.000746 -0.005804 9C 1f-1 0.013670 -0.015454 -0.000497 -0.022000 0.000755 -0.009617 9C 1f+2 -0.011630 0.011120 0.001865 0.011933 0.001513 0.008260 9C 1f-2 0.005307 -0.006072 0.000310 -0.009525 0.000566 -0.004730 9C 1f+3 0.000608 -0.000714 -0.000637 -0.001721 0.002070 -0.000457 9C 1f-3 0.004673 -0.004293 -0.002190 -0.000716 -0.001174 -0.003502 10H 1s -0.004572 0.006131 0.002402 0.001453 -0.000103 -0.002109 10H 2s 0.000221 0.014458 0.023254 0.001442 0.022787 -0.025004 10H 3s 0.042344 -0.060716 -0.032083 -0.010654 -0.014737 0.021615 10H 1pz -0.003381 0.006047 0.003609 -0.006490 0.002418 -0.001873 10H 1px 0.002044 -0.004447 -0.004305 -0.001157 -0.005966 0.004569 10H 1py -0.001794 0.004853 0.001746 -0.003973 0.001127 -0.001500 11H 1s 0.002797 -0.002820 -0.002265 -0.003567 -0.002043 0.006237 11H 2s 0.001899 -0.026878 -0.010400 -0.001988 0.014952 0.005791 11H 3s 0.017430 -0.035520 0.025568 0.065471 0.022843 -0.032673 11H 1pz -0.008879 0.002566 -0.000668 -0.004944 0.003725 -0.002892 11H 1px 0.001137 -0.004185 -0.002468 -0.004878 0.001381 0.004466 11H 1py -0.006442 0.004731 0.002262 -0.000495 0.000392 -0.003742 12H 1s -0.000272 -0.000079 -0.001882 -0.001763 -0.002163 0.003055 12H 2s 0.007623 -0.001476 -0.013855 0.005099 0.012792 -0.009885 12H 3s 0.042705 -0.035058 0.025485 0.042212 0.026988 -0.016507 12H 1pz -0.003500 0.008092 0.001180 -0.003359 0.002401 -0.003047 12H 1px 0.001399 -0.001878 -0.002220 -0.003232 0.001233 0.002885 12H 1py -0.002718 0.006633 -0.002775 -0.003533 0.002378 -0.003398 13H 1s 0.005474 0.004134 0.000681 -0.001257 -0.000459 -0.002377 13H 2s 0.020093 0.004289 0.019747 -0.003194 -0.019867 -0.021424 13H 3s -0.063066 -0.048334 -0.017737 0.007742 0.019463 0.018677 13H 1pz 0.008338 0.003917 0.002813 0.003160 -0.004336 -0.003858 13H 1px -0.001822 -0.001286 -0.002446 0.002027 0.004418 0.002460 13H 1py -0.005397 -0.003096 -0.001956 -0.006283 0.000705 0.000348 14H 1s 0.001118 0.001398 -0.001930 0.000959 0.001648 0.001849 14H 2s -0.002215 -0.009807 -0.013398 -0.005945 -0.007310 -0.012950 14H 3s -0.034062 -0.041835 0.030952 -0.032447 -0.023825 -0.007637 14H 1pz 0.007396 0.003293 -0.002553 0.001690 -0.000951 -0.004939 14H 1px 0.000745 -0.000273 -0.003327 0.003563 -0.001127 0.000148 14H 1py -0.006193 -0.002631 0.000355 -0.004289 0.002717 0.001658 15H 1s -0.003667 -0.003267 -0.000691 0.004091 0.001621 0.006856 15H 2s -0.031870 -0.007378 -0.004022 0.005380 -0.012328 0.012655 15H 3s -0.028394 -0.013261 0.020199 -0.070860 -0.015618 -0.034743 15H 1pz 0.007495 0.008236 0.000632 -0.002168 -0.000019 -0.006876 15H 1px -0.000954 0.001544 -0.000362 0.003398 -0.000392 0.001605 15H 1py -0.000459 -0.007499 0.001749 -0.006640 0.003583 0.000342 16H 1s 0.000640 0.001101 -0.009657 0.010249 -0.012238 -0.007743 16H 2s -0.038712 0.019859 0.103014 0.008300 -0.006616 0.078823 16H 3s -0.025017 0.033214 -0.015038 0.006977 -0.013634 -0.015571 16H 1pz -0.010445 0.002836 0.021198 0.005471 -0.005517 0.015155 16H 1px 0.004171 -0.009793 -0.011141 -0.001718 0.001926 -0.008743 16H 1py 0.002775 0.000400 -0.000156 0.001803 -0.001937 -0.000522 17H 1s 0.000785 -0.000406 -0.009455 -0.009473 0.011092 -0.007353 17H 2s -0.038643 -0.011290 0.103751 -0.009002 0.011039 0.080590 17H 3s -0.023619 -0.035759 -0.017355 -0.005329 0.010845 -0.016822 17H 1pz 0.005756 -0.005361 -0.009310 0.004144 -0.004885 -0.006415 17H 1px 0.010326 0.007472 -0.023594 0.005021 -0.005804 -0.017907 17H 1py 0.001502 0.001088 0.003132 -0.001610 0.001725 0.002063 18H 1s -0.000809 0.000375 0.009436 -0.009347 -0.010743 -0.007316 18H 2s 0.037789 0.010192 -0.104055 -0.008990 -0.010576 0.080646 18H 3s 0.021810 0.035365 0.017444 -0.005362 -0.010546 -0.016925 18H 1pz 0.005969 -0.005486 -0.009523 -0.004354 -0.005008 0.006565 18H 1px 0.009795 0.007046 -0.023673 -0.004972 -0.005573 0.017910 18H 1py 0.001721 0.001232 0.002747 0.001227 0.001233 -0.001788 19H 1s -0.000614 -0.001099 0.009685 0.010418 0.012191 -0.007745 19H 2s 0.038700 -0.020368 -0.103553 0.008122 0.006482 0.078957 19H 3s 0.026688 -0.032326 0.014905 0.007101 0.013548 -0.015294 19H 1pz -0.010345 0.002988 0.021267 -0.005285 -0.005256 -0.015173 19H 1px 0.004560 -0.009675 -0.011266 0.001834 0.002034 0.008827 19H 1py 0.002571 0.000551 0.000262 -0.002158 -0.002291 0.000252 20H 1s 0.003613 0.003228 0.000713 0.004048 -0.001698 0.006810 20H 2s 0.031877 0.007302 0.004298 0.005218 0.012532 0.012394 20H 3s 0.028136 0.013302 -0.020404 -0.070358 0.016846 -0.034407 20H 1pz 0.007491 0.008201 0.000659 0.002113 -0.000043 0.006810 20H 1px -0.001039 0.001485 -0.000379 -0.003452 -0.000398 -0.001684 20H 1py -0.000505 -0.007529 0.001817 0.006589 0.003582 -0.000423 21H 1s -0.001055 -0.001339 0.001930 0.000998 -0.001681 0.001944 21H 2s 0.002573 0.010239 0.013327 -0.005812 0.007721 -0.012629 21H 3s 0.033559 0.041523 -0.030769 -0.033017 0.024350 -0.008135 21H 1pz 0.007356 0.003241 -0.002566 -0.001707 -0.001007 0.004917 21H 1px 0.000644 -0.000385 -0.003306 -0.003616 -0.001162 -0.000250 21H 1py -0.006271 -0.002652 0.000364 0.004269 0.002679 -0.001720 22H 1s -0.005531 -0.004177 -0.000694 -0.001262 0.000454 -0.002408 22H 2s -0.020261 -0.004635 -0.019755 -0.002929 0.020226 -0.021523 22H 3s 0.063642 0.048869 0.017686 0.007897 -0.019411 0.018944 22H 1pz 0.008318 0.003947 0.002801 -0.003223 -0.004321 0.003820 22H 1px -0.001945 -0.001375 -0.002439 -0.002005 0.004510 -0.002524 22H 1py -0.005437 -0.003181 -0.001990 0.006304 0.000723 -0.000384 23H 1s 0.000175 0.000242 0.001921 -0.001837 0.002218 0.003214 23H 2s -0.008022 0.002102 0.014063 0.004860 -0.013339 -0.009385 23H 3s -0.042579 0.034207 -0.025948 0.043339 -0.027535 -0.017346 23H 1pz -0.003529 0.008224 0.001231 0.003278 0.002355 0.003182 23H 1px 0.001455 -0.001954 -0.002212 0.003262 0.001205 -0.002963 23H 1py -0.002617 0.006464 -0.002861 0.003634 0.002497 0.003293 24H 1s -0.002705 0.002688 0.002267 -0.003490 0.002120 0.006136 24H 2s -0.001548 0.026357 0.010621 -0.001705 -0.015265 0.005003 24H 3s -0.017864 0.036133 -0.025935 0.064613 -0.024019 -0.031977 24H 1pz -0.008951 0.002719 -0.000704 0.004886 0.003732 0.003068 24H 1px 0.001118 -0.004171 -0.002557 0.004867 0.001404 -0.004411 24H 1py -0.006328 0.004581 0.002224 0.000659 0.000442 0.003540 25H 1s 0.004628 -0.006170 -0.002440 0.001453 0.000114 -0.002134 25H 2s -0.000074 -0.014429 -0.023273 0.001112 -0.023154 -0.025213 25H 3s -0.042155 0.061161 0.032272 -0.010776 0.014817 0.021933 25H 1pz -0.003441 0.006063 0.003645 0.006518 0.002470 0.001961 25H 1px 0.002073 -0.004486 -0.004308 0.001090 -0.006029 -0.004614 25H 1py -0.001729 0.004697 0.001670 0.004039 0.001004 0.001386 26O 1s 0.000214 -0.000484 -0.000124 0.002030 0.000716 -0.000507 26O 2s 0.000232 -0.000394 0.000822 0.001276 0.001825 0.000259 26O 3s -0.006704 0.008651 -0.030382 -0.030618 -0.045016 -0.014973 26O 4s -0.001303 -0.002243 0.120536 0.138164 0.106274 -0.010770 26O 5s 0.102306 -0.033214 0.278000 -0.143505 0.143778 0.506229 26O 1pz -0.002906 0.003543 -0.000171 -0.002275 -0.005865 -0.006208 26O 1px 0.002729 -0.002012 0.008065 0.005049 0.005284 0.008535 26O 1py -0.000747 0.001298 0.002351 0.000200 -0.001455 -0.001028 26O 2pz 0.013117 -0.010571 0.022858 -0.032784 0.066286 0.038909 26O 2px -0.027913 0.022560 -0.078999 -0.093720 -0.025219 -0.062716 26O 2py -0.003958 0.000598 -0.014491 -0.054737 0.031104 0.001470 26O 3pz 0.067291 -0.082614 0.043268 -0.167741 0.161441 0.152527 26O 3px 0.027943 -0.061348 -0.064509 -0.070472 0.059195 -0.096159 26O 3py 0.062468 -0.067850 0.009930 -0.130355 0.128099 0.062128 26O 1dz2 -0.002782 0.005308 0.007551 -0.011310 0.007501 -0.000507 26O 1dxz 0.001514 -0.004687 0.000465 -0.001076 0.004319 0.005715 26O 1dyz -0.002997 0.003400 0.009143 -0.010356 0.007129 0.002775 26O 1dx2y2 -0.001732 -0.003058 -0.001580 0.008504 -0.007567 -0.000464 26O 1dxy 0.003991 -0.000921 0.000360 0.004126 -0.001546 0.003466 26O 2dz2 -0.001139 -0.003642 -0.018733 -0.008817 0.000051 0.000486 26O 2dxz -0.007680 0.014228 0.003489 -0.008022 -0.009576 -0.010370 26O 2dyz 0.004816 -0.004858 -0.005181 -0.004491 0.012475 0.013836 26O 2dx2y2 0.014879 -0.005146 0.012946 0.014190 0.013813 0.013541 26O 2dxy -0.001222 -0.002742 0.014894 0.004436 0.008284 0.010469 26O 1f0 -0.004860 0.001491 -0.002452 0.003356 -0.008397 -0.000993 26O 1f+1 0.003182 -0.000456 0.005425 0.004010 0.000709 0.006144 26O 1f-1 -0.000068 0.000721 -0.008814 0.008872 -0.008662 -0.008244 26O 1f+2 0.003497 -0.002587 0.002815 -0.005418 0.009750 0.002590 26O 1f-2 0.001293 -0.003543 0.001816 -0.001072 0.005825 -0.000586 26O 1f+3 0.001861 -0.005205 0.001591 0.001478 0.005142 0.001584 26O 1f-3 0.000262 -0.000588 0.003176 0.006279 -0.004228 0.006188 27O 1s -0.000497 -0.000383 -0.000295 -0.001968 -0.000795 -0.000586 27O 2s -0.000398 -0.000372 0.000633 -0.001221 -0.001908 0.000185 27O 3s 0.008860 0.009219 -0.026285 0.030138 0.046355 -0.014116 27O 4s -0.004062 -0.006676 0.096348 -0.140909 -0.109580 -0.008566 27O 5s -0.036174 -0.076260 0.325878 0.149323 -0.144057 0.523998 27O 1pz 0.001376 0.002042 -0.001497 0.001780 0.004358 -0.004345 27O 1px -0.002044 -0.001804 0.009199 -0.004791 -0.004571 0.007919 27O 1py -0.002944 -0.002299 -0.000240 -0.001100 -0.005120 0.004068 27O 2pz -0.006110 -0.009110 0.024686 0.009620 -0.044599 0.029108 27O 2px 0.025939 0.026376 -0.084661 0.104692 0.016223 -0.067348 27O 2py 0.003849 0.007725 -0.012934 -0.044073 0.060111 -0.022943 27O 3pz -0.043021 -0.044645 0.068477 0.100291 -0.097471 0.129847 27O 3px -0.066330 -0.045194 -0.014795 0.100370 -0.080836 -0.046917 27O 3py 0.088124 0.061436 -0.076589 -0.173541 0.159082 -0.161410 27O 1dz2 -0.000555 0.000938 -0.001517 0.002783 -0.001962 -0.001810 27O 1dxz 0.000872 -0.003885 0.000489 0.003963 -0.005277 0.001915 27O 1dyz -0.005976 -0.003267 -0.007827 -0.009183 0.005034 -0.000470 27O 1dx2y2 -0.004863 -0.002918 -0.005327 -0.013364 0.010016 0.000724 27O 1dxy 0.003442 -0.000018 -0.002327 -0.002535 0.004549 -0.004911 27O 2dz2 0.007445 0.005146 -0.010892 0.006315 0.010784 -0.012879 27O 2dxz 0.005078 0.013371 -0.001381 0.009564 0.008303 -0.004622 27O 2dyz 0.010846 0.006553 0.004558 -0.003829 0.016642 -0.016658 27O 2dx2y2 -0.003216 -0.007118 0.023486 -0.016275 -0.009615 0.010307 27O 2dxy -0.008325 -0.001419 -0.007483 -0.004732 -0.000367 -0.004262 27O 1f0 0.004037 0.000557 0.004279 0.003372 0.000853 0.005116 27O 1f+1 -0.001429 0.000497 0.003330 -0.004395 0.002427 0.005417 27O 1f-1 -0.002099 0.000527 0.003728 0.002978 -0.004685 0.002305 27O 1f+2 -0.002889 -0.002654 0.010144 0.004906 -0.010647 0.008693 27O 1f-2 0.000622 -0.000957 -0.000751 0.002748 -0.001823 0.000271 27O 1f+3 -0.001691 -0.004486 0.003710 -0.006280 -0.000903 0.003682 27O 1f-3 -0.002239 -0.003906 0.003136 0.006720 -0.012044 -0.000627 28O 1s 0.000303 -0.000466 0.000335 0.002000 -0.000860 -0.000673 28O 2s 0.000175 -0.000496 -0.000564 0.001273 -0.001957 0.000086 28O 3s -0.003094 0.012628 0.024196 -0.031690 0.047127 -0.011769 28O 4s -0.016723 -0.013795 -0.089293 0.146682 -0.112298 -0.016896 28O 5s 0.015597 -0.123689 -0.303905 -0.140958 -0.115852 0.517028 28O 1pz -0.001546 0.001087 -0.005333 0.001341 0.001720 0.000764 28O 1px -0.002065 0.004559 0.007496 -0.005707 0.006315 -0.008278 28O 1py -0.002430 0.001612 0.000612 -0.001340 0.004036 -0.002941 28O 2pz 0.001353 0.013311 0.031173 -0.086920 -0.041045 -0.013544 28O 2px 0.013191 -0.038486 -0.077785 0.075950 -0.044269 0.066939 28O 2py 0.006213 -0.005798 -0.015014 -0.024431 -0.044658 0.018281 28O 3pz 0.081988 -0.075698 -0.088043 -0.203677 -0.190280 0.136271 28O 3px -0.033993 -0.007650 -0.046877 -0.001815 -0.005679 0.127295 28O 3py 0.051680 -0.039702 -0.063997 -0.124451 -0.113162 0.128371 28O 1dz2 -0.001171 -0.000905 -0.002969 -0.005780 -0.006356 0.003111 28O 1dxz -0.003500 0.004243 -0.002887 -0.010076 -0.005411 -0.003189 28O 1dyz -0.002257 0.003803 -0.008377 -0.009361 -0.007204 0.002791 28O 1dx2y2 0.002631 0.001449 0.001043 0.007562 0.007332 -0.000327 28O 1dxy -0.005752 0.001181 -0.002977 -0.002861 0.000658 -0.002059 28O 2dz2 -0.002062 0.004755 -0.001146 -0.006886 0.002598 0.003490 28O 2dxz 0.001127 0.006026 0.020748 -0.013442 0.004643 -0.008648 28O 2dyz 0.002473 -0.006500 0.003755 -0.006177 -0.011135 0.014713 28O 2dx2y2 0.002759 -0.016504 -0.011728 0.015017 -0.014251 0.011571 28O 2dxy 0.013332 -0.004756 0.003846 0.001854 -0.012597 0.008622 28O 1f0 0.002066 -0.002196 -0.005269 0.001633 -0.003829 0.004706 28O 1f+1 -0.004243 0.001372 0.002271 0.006377 0.011176 0.001044 28O 1f-1 -0.000219 -0.001038 0.005645 0.004387 0.002644 -0.006947 28O 1f+2 -0.002826 0.001527 0.001630 -0.007798 -0.002554 -0.002903 28O 1f-2 -0.000824 0.003253 0.008161 0.004988 0.009542 -0.005347 28O 1f+3 -0.000618 0.005045 0.005530 -0.000638 0.005653 -0.005221 28O 1f-3 -0.001165 0.002876 -0.002160 0.001653 0.004399 0.003012 29O 1s -0.000755 0.000014 -0.002538 -0.000009 -0.000013 -0.001580 29O 2s -0.000631 -0.000001 -0.002594 -0.000008 -0.000016 -0.001650 29O 3s 0.008652 0.000219 0.046683 -0.000000 0.000523 0.028418 29O 4s -0.023761 0.001830 -0.032857 0.000851 -0.001532 0.007581 29O 5s 0.096081 -0.014984 -0.231347 -0.001634 -0.001200 -0.256070 29O 1pz 0.000994 -0.003587 0.008915 -0.002825 0.002716 0.007289 29O 1px -0.001168 -0.001413 -0.026472 -0.001213 0.001026 -0.021519 29O 1py 0.006141 0.000061 -0.007675 0.000220 -0.000199 -0.006055 29O 2pz -0.004231 0.006383 -0.019707 0.013550 -0.013072 -0.016329 29O 2px 0.007569 0.001633 0.061213 0.005713 -0.005478 0.049542 29O 2py -0.018196 0.001299 0.038801 -0.001503 0.001771 0.029771 29O 3pz -0.011151 0.049842 -0.013774 0.010645 -0.017407 -0.022696 29O 3px 0.014311 0.022613 0.068722 0.003745 -0.005511 0.083363 29O 3py -0.045872 -0.003204 0.068602 -0.000807 0.003674 0.055240 29O 1dz2 -0.000697 -0.007202 -0.006798 0.002578 -0.003097 -0.005746 29O 1dxz -0.004701 0.012126 -0.012181 0.000002 -0.000120 -0.010582 29O 1dyz 0.004091 0.006841 -0.002942 0.007377 -0.008758 -0.002434 29O 1dx2y2 0.006253 0.005770 0.020768 0.000986 -0.001013 0.017681 29O 1dxy -0.012170 0.000779 0.007241 0.003210 -0.003739 0.005472 29O 2dz2 0.004466 0.013970 0.014852 -0.008064 0.009351 0.013940 29O 2dxz 0.012652 -0.025244 0.030158 0.002718 -0.002763 0.027447 29O 2dyz -0.007338 -0.016667 0.007025 -0.019433 0.022617 0.006243 29O 2dx2y2 -0.015725 -0.012288 -0.056014 -0.001306 0.001183 -0.049080 29O 2dxy 0.021210 -0.002203 -0.013763 -0.008683 0.010044 -0.011380 29O 1f0 0.000296 -0.001390 0.007527 -0.001039 0.001265 0.006697 29O 1f+1 0.000083 -0.004135 -0.003673 0.001177 -0.001427 -0.003423 29O 1f-1 -0.001573 -0.001220 0.004888 0.000436 -0.000462 0.003691 29O 1f+2 -0.002338 0.002882 -0.008665 -0.002002 0.002185 -0.007963 29O 1f-2 0.002442 0.002932 0.000980 0.000596 -0.000614 0.000551 29O 1f+3 -0.002074 -0.002287 -0.012732 0.000667 -0.000935 -0.011337 29O 1f-3 0.007410 -0.000759 -0.004225 -0.000819 0.000934 -0.003614 30O 1s -0.000360 -0.000319 0.000157 -0.002058 0.000762 -0.000574 30O 2s -0.000417 -0.000223 -0.000762 -0.001310 0.001844 0.000157 30O 3s 0.011286 0.004679 0.028241 0.031653 -0.044931 -0.012232 30O 4s -0.009523 0.011530 -0.113271 -0.142659 0.105319 -0.019457 30O 5s -0.143470 -0.040115 -0.237042 0.141303 0.118106 0.477937 30O 1pz 0.000063 0.001442 -0.003243 -0.001185 -0.000953 0.000786 30O 1px 0.004931 0.003159 0.006376 0.006009 -0.007386 -0.009327 30O 1py -0.001119 -0.001827 0.003742 0.000118 0.002264 0.001661 30O 2pz 0.010711 0.001242 0.020516 0.062899 0.024654 -0.008081 30O 2px -0.039064 -0.018504 -0.072266 -0.063624 0.054774 0.065055 30O 2py -0.007627 0.002406 -0.015155 -0.073535 -0.045999 -0.006294 30O 3pz -0.044540 -0.065391 -0.008299 0.130138 0.121248 0.046392 30O 3px -0.017524 0.004645 -0.059425 0.033952 0.028209 0.151054 30O 3py 0.079054 0.072498 0.051461 -0.199874 -0.191627 -0.118175 30O 1dz2 -0.000103 -0.003333 0.001432 -0.000818 0.001338 0.001539 30O 1dxz 0.000122 0.005795 -0.003142 0.008863 0.005813 -0.001880 30O 1dyz -0.001095 -0.001150 0.008696 -0.005670 -0.005114 -0.005004 30O 1dx2y2 0.001627 -0.000047 0.002826 -0.008183 -0.008689 -0.003865 30O 1dxy -0.005664 -0.003817 0.006469 -0.011720 -0.005953 0.002945 30O 2dz2 0.006126 0.010066 0.003187 0.006182 -0.012044 -0.012807 30O 2dxz 0.010567 -0.004828 0.013225 0.011336 -0.005033 -0.003970 30O 2dyz 0.007130 0.003296 0.000390 -0.000451 -0.012365 -0.014172 30O 2dx2y2 -0.014116 -0.008343 -0.004049 -0.014003 0.011062 0.008131 30O 2dxy 0.001590 0.003125 -0.017445 -0.009100 -0.003954 -0.004633 30O 1f0 -0.003460 0.000232 -0.006860 0.000354 0.003086 0.008862 30O 1f+1 0.003567 0.000073 -0.001975 -0.000917 -0.003801 0.002330 30O 1f-1 0.001600 0.000959 0.000710 -0.000286 -0.002409 0.000400 30O 1f+2 0.004201 0.002299 -0.000895 0.003988 -0.002990 0.001817 30O 1f-2 -0.001764 0.000791 -0.004449 0.010035 0.010012 0.000893 30O 1f+3 0.003455 0.005344 0.005297 -0.006451 -0.012914 -0.003937 30O 1f-3 0.002755 0.001788 0.006154 0.003494 -0.002133 -0.006353 31O 1s 0.000356 0.000325 -0.000141 -0.002065 -0.000744 -0.000565 31O 2s 0.000411 0.000229 0.000779 -0.001327 -0.001832 0.000169 31O 3s -0.011111 -0.004811 -0.028641 0.032064 0.044625 -0.012567 31O 4s 0.009487 -0.010561 0.114647 -0.143589 -0.103961 -0.018363 31O 5s 0.136721 0.036517 0.238823 0.139993 -0.118303 0.481215 31O 1pz 0.000103 0.001446 -0.003240 0.001172 -0.000954 -0.000805 31O 1px 0.004763 0.003025 0.006379 -0.006081 -0.007297 0.009354 31O 1py -0.001096 -0.001815 0.003758 -0.000100 0.002276 -0.001636 31O 2pz 0.010331 0.001269 0.020836 -0.062671 0.025263 0.008449 31O 2px -0.038167 -0.018114 -0.072675 0.064127 0.053995 -0.065610 31O 2py -0.007403 0.002319 -0.015519 0.073122 -0.046802 0.005930 31O 3pz -0.046022 -0.065628 -0.006846 -0.129087 0.122830 -0.045122 31O 3px -0.015323 0.005619 -0.060582 -0.033590 0.028240 -0.152531 31O 3py 0.079808 0.071979 0.049441 0.198331 -0.193931 0.117180 31O 1dz2 0.000059 0.003317 -0.001433 -0.000825 -0.001339 0.001554 31O 1dxz -0.000187 -0.005774 0.003186 0.008805 -0.005900 -0.001814 31O 1dyz 0.001129 0.001195 -0.008654 -0.005630 0.005175 -0.005011 31O 1dx2y2 -0.001599 0.000091 -0.002864 -0.008092 0.008757 -0.003900 31O 1dxy 0.005587 0.003717 -0.006552 -0.011664 0.006064 0.002902 31O 2dz2 -0.005961 -0.009984 -0.003217 0.006246 0.012017 -0.012884 31O 2dxz -0.010306 0.004740 -0.013500 0.011402 0.004913 -0.004302 31O 2dyz -0.007047 -0.003360 -0.000561 -0.000314 0.012315 -0.014308 31O 2dx2y2 0.013965 0.008190 0.004186 -0.014150 -0.010887 0.008253 31O 2dxy -0.001459 -0.002784 0.017826 -0.009064 0.004079 -0.004379 31O 1f0 -0.003411 0.000262 -0.006864 -0.000326 0.003085 -0.008893 31O 1f+1 0.003586 0.000091 -0.001983 0.000881 -0.003809 -0.002345 31O 1f-1 0.001661 0.000994 0.000720 0.000269 -0.002418 -0.000401 31O 1f+2 0.004237 0.002352 -0.000897 -0.004022 -0.002963 -0.001809 31O 1f-2 -0.001854 0.000732 -0.004394 -0.009943 0.010117 -0.000862 31O 1f+3 0.003548 0.005403 0.005283 0.006331 -0.012988 0.003949 31O 1f-3 0.002773 0.001818 0.006169 -0.003510 -0.002099 0.006379 32O 1s 0.000753 -0.000011 0.002539 -0.000010 0.000011 -0.001575 32O 2s 0.000631 0.000008 0.002597 -0.000010 0.000013 -0.001647 32O 3s -0.008690 -0.000451 -0.046759 0.000040 -0.000448 0.028389 32O 4s 0.023788 -0.001147 0.032913 0.000794 0.001467 0.007537 32O 5s -0.095079 0.015646 0.232250 -0.001726 0.000565 -0.256094 32O 1pz 0.000981 -0.003554 0.009003 0.002828 0.002659 -0.007333 32O 1px -0.001189 -0.001341 -0.026469 0.001175 0.000991 0.021455 32O 1py 0.006069 0.000011 -0.007714 -0.000183 -0.000156 0.006071 32O 2pz -0.003905 0.006306 -0.020407 -0.013536 -0.012799 0.016815 32O 2px 0.007650 0.001187 0.061010 -0.005555 -0.005250 -0.049249 32O 2py -0.017926 0.001710 0.039017 0.001239 0.001432 -0.029853 32O 3pz -0.011952 0.049447 -0.014468 -0.010699 -0.017153 0.023179 32O 3px 0.014057 0.022381 0.068574 -0.003758 -0.005379 -0.083018 32O 3py -0.045686 -0.002026 0.068979 0.000677 0.003173 -0.055372 32O 1dz2 0.000564 0.007278 0.006797 0.002573 0.003032 -0.005739 32O 1dxz 0.004879 -0.011963 0.012153 -0.000020 0.000085 -0.010507 32O 1dyz -0.003830 -0.006778 0.002803 0.007470 0.008689 -0.002318 32O 1dx2y2 -0.006143 -0.005534 -0.020785 0.000935 0.000942 0.017649 32O 1dxy 0.012147 -0.000866 -0.007313 0.003198 0.003667 0.005524 32O 2dz2 -0.004123 -0.014103 -0.014819 -0.007897 -0.009008 0.013896 32O 2dxz -0.013044 0.025005 -0.030013 0.002822 0.002828 0.027202 32O 2dyz 0.006688 0.016513 -0.006508 -0.019663 -0.022421 0.005838 32O 2dx2y2 0.015450 0.011720 0.056119 -0.001080 -0.000928 -0.049037 32O 2dxy -0.021257 0.002235 0.014002 -0.008558 -0.009727 -0.011558 32O 1f0 0.000461 -0.001281 0.007235 0.001095 0.001291 -0.006447 32O 1f+1 0.000148 -0.004188 -0.003896 -0.001214 -0.001439 0.003598 32O 1f-1 -0.001509 -0.001125 0.004992 -0.000421 -0.000451 -0.003753 32O 1f+2 -0.002214 0.002815 -0.008887 0.002044 0.002197 0.008100 32O 1f-2 0.002299 0.002973 0.001046 -0.000618 -0.000630 -0.000605 32O 1f+3 -0.002121 -0.002216 -0.012667 -0.000596 -0.000827 0.011256 32O 1f-3 0.007420 -0.000755 -0.004285 0.000792 0.000899 0.003664 33O 1s -0.000307 0.000461 -0.000325 0.002007 0.000844 -0.000669 33O 2s -0.000179 0.000491 0.000574 0.001292 0.001947 0.000092 33O 3s 0.003147 -0.012543 -0.024366 -0.032184 -0.046857 -0.011944 33O 4s 0.016668 0.013476 0.089980 0.147954 0.110933 -0.016354 33O 5s -0.014376 0.123994 0.302365 -0.139540 0.115903 0.518161 33O 1pz -0.001561 0.001090 -0.005311 -0.001335 0.001761 -0.000767 33O 1px -0.002134 0.004527 0.007457 0.005790 0.006247 0.008281 33O 1py -0.002503 0.001584 0.000564 0.001370 0.004007 0.002918 33O 2pz 0.001565 0.013238 0.031084 0.086531 -0.042046 0.013738 33O 2px 0.013259 -0.038375 -0.077708 -0.076603 -0.043409 -0.067219 33O 2py 0.006461 -0.005701 -0.014802 0.024091 -0.044829 -0.018143 33O 3pz 0.081285 -0.076087 -0.087530 0.201908 -0.192561 -0.136306 33O 3px -0.034795 -0.008042 -0.047043 0.001622 -0.005280 -0.127926 33O 3py 0.052281 -0.038657 -0.063347 0.123670 -0.114783 -0.128486 33O 1dz2 0.001124 0.000871 0.002942 -0.005705 0.006419 0.003098 33O 1dxz 0.003481 -0.004297 0.002930 -0.010004 0.005485 -0.003180 33O 1dyz 0.002225 -0.003825 0.008388 -0.009286 0.007293 0.002798 33O 1dx2y2 -0.002770 -0.001559 -0.001096 0.007492 -0.007393 -0.000328 33O 1dxy 0.005883 -0.001066 0.003024 -0.002861 -0.000643 -0.002068 33O 2dz2 0.002151 -0.004767 0.001171 -0.007001 -0.002566 0.003494 33O 2dxz -0.001198 -0.005905 -0.020855 -0.013544 -0.004419 -0.008786 33O 2dyz -0.002392 0.006621 -0.003767 -0.006047 0.011188 0.014753 33O 2dx2y2 -0.002419 0.016765 0.011855 0.015219 0.014071 0.011663 33O 2dxy -0.013700 0.004394 -0.004037 0.001912 0.012615 0.008595 33O 1f0 0.002038 -0.002225 -0.005264 -0.001698 -0.003779 -0.004733 33O 1f+1 -0.004221 0.001399 0.002293 -0.006254 0.011255 -0.001030 33O 1f-1 -0.000267 -0.001056 0.005631 -0.004345 0.002669 0.006943 33O 1f+2 -0.002848 0.001486 0.001632 0.007765 -0.002607 0.002927 33O 1f-2 -0.000792 0.003218 0.008143 -0.004899 0.009600 0.005350 33O 1f+3 -0.000566 0.005107 0.005539 0.000710 0.005657 0.005242 33O 1f-3 -0.001155 0.002848 -0.002174 -0.001619 0.004408 -0.003025 34O 1s 0.000503 0.000381 0.000286 -0.001957 0.000814 -0.000580 34O 2s 0.000403 0.000369 -0.000645 -0.001200 0.001919 0.000190 34O 3s -0.008864 -0.009088 0.026543 0.029662 -0.046641 -0.014237 34O 4s 0.003484 0.005757 -0.097028 -0.139779 0.110974 -0.008157 34O 5s 0.034598 0.076793 -0.326016 0.149980 0.142556 0.524698 34O 1pz 0.001467 0.002104 -0.001521 -0.001736 0.004359 0.004352 34O 1px -0.002091 -0.001892 0.009189 0.004757 -0.004604 -0.007902 34O 1py -0.003066 -0.002405 -0.000203 0.001036 -0.005133 -0.004058 34O 2pz -0.006447 -0.009301 0.024855 -0.010032 -0.044451 -0.029118 34O 2px 0.025530 0.026290 -0.084707 -0.104627 0.017167 0.067485 34O 2py 0.004457 0.008141 -0.013165 0.044720 0.059693 0.022795 34O 3pz -0.042572 -0.044759 0.068596 -0.100955 -0.096537 -0.129719 34O 3px -0.067320 -0.046007 -0.015630 -0.101096 -0.079858 0.048018 34O 3py 0.088775 0.062241 -0.075734 0.174716 0.157391 0.160949 34O 1dz2 0.000538 -0.000977 0.001542 0.002810 0.001944 -0.001798 34O 1dxz -0.000886 0.003895 -0.000512 0.004025 0.005245 0.001921 34O 1dyz 0.005988 0.003292 0.007847 -0.009241 -0.004961 -0.000457 34O 1dx2y2 0.004979 0.003045 0.005387 -0.013453 -0.009890 0.000729 34O 1dxy -0.003590 -0.000086 0.002314 -0.002572 -0.004520 -0.004894 34O 2dz2 -0.007291 -0.004978 0.010888 0.006198 -0.010859 -0.012947 34O 2dxz -0.005059 -0.013424 0.001451 0.009462 -0.008398 -0.004659 34O 2dyz -0.010996 -0.006716 -0.004570 -0.003950 -0.016565 -0.016657 34O 2dx2y2 0.002758 0.006673 -0.023654 -0.016197 0.009766 0.010378 34O 2dxy 0.008829 0.001778 0.007579 -0.004725 0.000394 -0.004351 34O 1f0 0.004003 0.000528 0.004297 -0.003361 0.000881 -0.005105 34O 1f+1 -0.001470 0.000479 0.003342 0.004420 0.002394 -0.005419 34O 1f-1 -0.002090 0.000547 0.003716 -0.003026 -0.004667 -0.002292 34O 1f+2 -0.002840 -0.002605 0.010173 -0.005005 -0.010602 -0.008679 34O 1f-2 0.000577 -0.000995 -0.000744 -0.002771 -0.001801 -0.000265 34O 1f+3 -0.001643 -0.004449 0.003720 0.006273 -0.000961 -0.003688 34O 1f-3 -0.002167 -0.003822 0.003121 -0.006828 -0.011983 0.000651 35O 1s -0.000215 0.000482 0.000116 0.002025 -0.000734 -0.000501 35O 2s -0.000232 0.000392 -0.000834 0.001260 -0.001835 0.000265 35O 3s 0.006675 -0.008613 0.030734 -0.030215 0.045262 -0.015159 35O 4s 0.000872 0.001896 -0.121706 0.137131 -0.107509 -0.010265 35O 5s -0.096944 0.034457 -0.281458 -0.144930 -0.142292 0.508373 35O 1pz -0.002867 0.003533 -0.000197 0.002228 -0.005867 0.006219 35O 1px 0.002645 -0.002050 0.008083 -0.004991 0.005319 -0.008562 35O 1py -0.000738 0.001347 0.002418 -0.000222 -0.001452 0.001002 35O 2pz 0.013018 -0.010603 0.022927 0.033436 0.065937 -0.038885 35O 2px -0.027346 0.022660 -0.079749 0.093463 -0.025980 0.063185 35O 2py -0.003887 0.000453 -0.015004 0.055182 0.030626 -0.001224 35O 3pz 0.067380 -0.082557 0.042785 0.168855 0.159916 -0.152190 35O 3px 0.029944 -0.060837 -0.066526 0.070906 0.058540 0.097443 35O 3py 0.062009 -0.068864 0.008813 0.131549 0.127079 -0.061495 35O 1dz2 0.002860 -0.005200 -0.007585 -0.011397 -0.007415 -0.000485 35O 1dxz -0.001515 0.004702 -0.000435 -0.001108 -0.004328 0.005697 35O 1dyz 0.002916 -0.003485 -0.009175 -0.010467 -0.007048 0.002759 35O 1dx2y2 0.001672 0.003047 0.001643 0.008589 0.007480 -0.000521 35O 1dxy -0.003879 0.001048 -0.000288 0.004145 0.001508 0.003458 35O 2dz2 0.000955 0.003429 0.018986 -0.008780 0.000073 0.000302 35O 2dxz 0.007711 -0.014266 -0.003606 -0.007949 0.009722 -0.010313 35O 2dyz -0.004572 0.005069 0.005213 -0.004536 -0.012398 0.013885 35O 2dx2y2 -0.014548 0.005216 -0.013253 0.014032 -0.013880 0.013792 35O 2dxy 0.000992 0.002445 -0.015322 0.004400 -0.008299 0.010626 35O 1f0 -0.004867 0.001524 -0.002436 -0.003435 -0.008381 0.000972 35O 1f+1 0.003154 -0.000468 0.005462 -0.004013 0.000720 -0.006168 35O 1f-1 -0.000085 0.000710 -0.008822 -0.008993 -0.008603 0.008234 35O 1f+2 0.003548 -0.002567 0.002820 0.005517 0.009700 -0.002596 35O 1f-2 0.001386 -0.003493 0.001817 0.001117 0.005816 0.000601 35O 1f+3 0.001833 -0.005197 0.001593 -0.001421 0.005154 -0.001595 35O 1f-3 0.000240 -0.000594 0.003233 -0.006328 -0.004168 -0.006216 750 751 752 753 754 755 22.34143 22.34652 22.34811 22.35015 23.30581 23.32069 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s 0.000149 -0.000357 -0.000821 0.000151 -0.001368 0.000180 0Rh 2s 0.000613 -0.001417 -0.003365 0.000584 -0.006254 0.000727 0Rh 3s 0.001311 -0.003119 -0.007219 0.001309 -0.012391 0.001582 0Rh 4s -0.001335 0.002742 0.007228 -0.001042 0.016618 -0.001395 0Rh 5s -0.000975 0.004812 0.006082 -0.002639 -0.008794 -0.002750 0Rh 6s 0.000150 -0.008695 -0.003111 0.005621 0.033213 0.005701 0Rh 7s 0.033626 0.035405 -0.150432 -0.037245 -0.233704 -0.019664 0Rh 8s -0.008693 0.058927 0.025433 -0.014882 -0.060225 -0.009291 0Rh 1pz 0.000016 0.000326 -0.000304 -0.000488 -0.000387 -0.000591 0Rh 1px -0.000095 0.000240 0.000451 0.000003 0.000961 -0.000268 0Rh 1py -0.000148 -0.000449 0.000122 -0.000442 0.000180 0.000439 0Rh 2pz -0.000077 -0.001519 0.001409 0.002260 0.001795 0.002850 0Rh 2px 0.000448 -0.001117 -0.002124 -0.000015 -0.004475 0.001292 0Rh 2py 0.000682 0.002081 -0.000575 0.002055 -0.000843 -0.002115 0Rh 3pz 0.000468 0.007844 -0.007124 -0.011310 -0.008921 -0.016603 0Rh 3px -0.002405 0.005732 0.011410 0.000111 0.022579 -0.007519 0Rh 3py -0.003286 -0.010408 0.003066 -0.010451 0.004348 0.012330 0Rh 4pz -0.001324 -0.018627 0.016492 0.025751 0.019457 0.041586 0Rh 4px 0.005940 -0.013492 -0.028202 -0.000325 -0.050053 0.018786 0Rh 4py 0.007179 0.023663 -0.007518 0.024337 -0.009911 -0.030921 0Rh 5pz 0.002466 0.027393 -0.023784 -0.036286 -0.024324 -0.051561 0Rh 5px -0.009489 0.019549 0.044123 0.000747 0.063711 -0.022809 0Rh 5py -0.009416 -0.033262 0.011454 -0.035010 0.012527 0.038525 0Rh 6pz -0.020564 -0.024144 -0.039126 0.065343 0.043292 -0.045560 0Rh 6px 0.033719 -0.043725 -0.115000 -0.001409 -0.176994 -0.030434 0Rh 6py -0.068330 0.068391 -0.020941 0.045079 -0.009289 0.023137 0Rh 1dz2 0.001585 -0.001309 -0.000247 0.000509 -0.001096 0.001995 0Rh 1dxz 0.000126 0.002262 -0.000254 -0.001675 -0.001605 -0.003229 0Rh 1dyz 0.001894 0.000813 0.000333 -0.000392 -0.000261 -0.001460 0Rh 1dx2y2 0.000558 0.001173 0.000673 0.000429 0.002357 -0.002160 0Rh 1dxy 0.001101 -0.001519 0.000810 -0.002853 0.000577 0.002323 0Rh 2dz2 -0.004427 0.003612 0.000673 -0.001386 0.003117 -0.005505 0Rh 2dxz -0.000341 -0.006247 0.000693 0.004620 0.004563 0.008926 0Rh 2dyz -0.005381 -0.002238 -0.000953 0.001127 0.000742 0.004030 0Rh 2dx2y2 -0.001556 -0.003230 -0.001864 -0.001174 -0.006700 0.005959 0Rh 2dxy -0.003104 0.004194 -0.002253 0.007890 -0.001648 -0.006418 0Rh 3dz2 0.007416 -0.005818 -0.001028 0.002109 -0.005482 0.008560 0Rh 3dxz 0.000508 0.010074 -0.001071 -0.007404 -0.007997 -0.013951 0Rh 3dyz 0.009473 0.003560 0.001716 -0.002081 -0.001296 -0.006250 0Rh 3dx2y2 0.002596 0.005155 0.003022 0.001843 0.011751 -0.009247 0Rh 3dxy 0.005346 -0.006758 0.003703 -0.012792 0.002969 0.010011 0Rh 4dz2 -0.011439 0.008019 0.001106 -0.002044 0.010524 -0.009934 0Rh 4dxz -0.000520 -0.013954 0.001174 0.009897 0.015141 0.016565 0Rh 4dyz -0.016170 -0.004518 -0.003161 0.004678 0.002438 0.007058 0Rh 4dx2y2 -0.004028 -0.006744 -0.004101 -0.002239 -0.022337 0.010546 0Rh 4dxy -0.008777 0.009295 -0.005352 0.018160 -0.006269 -0.011840 0Rh 5dz2 0.015501 -0.011081 -0.002061 -0.009233 -0.027780 0.012194 0Rh 5dxz 0.001155 0.020116 -0.001379 -0.010665 -0.039645 -0.023038 0Rh 5dyz 0.017516 -0.000347 0.005638 -0.030656 -0.006360 -0.007466 0Rh 5dx2y2 0.005414 0.003871 0.007057 0.000896 0.058512 -0.010969 0Rh 5dxy 0.011715 -0.013318 0.007962 -0.031208 0.017995 0.017080 0Rh 1f0 0.000303 0.000187 0.000405 0.000393 0.000277 0.002927 0Rh 1f+1 -0.000685 0.000096 -0.000338 0.000760 -0.000071 -0.001526 0Rh 1f-1 0.000577 -0.000350 -0.000042 0.000388 0.000141 -0.001268 0Rh 1f+2 0.000425 0.000405 -0.000046 -0.000440 0.000011 0.005963 0Rh 1f-2 -0.001723 0.000449 -0.000458 0.000756 0.000147 0.003508 0Rh 1f+3 0.000176 -0.000561 -0.000363 -0.000120 -0.000245 -0.004350 0Rh 1f-3 0.000958 0.000601 -0.000056 0.000005 -0.000024 0.001764 1Rh 1s 0.000154 0.000279 -0.000825 -0.000286 -0.001373 -0.000184 1Rh 2s 0.000633 0.001095 -0.003382 -0.001139 -0.006276 -0.000743 1Rh 3s 0.001354 0.002428 -0.007257 -0.002499 -0.012440 -0.001613 1Rh 4s -0.001372 -0.002053 0.007261 0.002235 0.016662 0.001447 1Rh 5s -0.001045 -0.004216 0.006140 0.003633 -0.008714 0.002676 1Rh 6s 0.000281 0.008351 -0.003232 -0.006109 0.033050 -0.005479 1Rh 7s 0.033200 -0.049105 -0.149325 0.012431 -0.233221 0.018450 1Rh 8s -0.009010 -0.056726 0.029091 0.019379 -0.060322 0.009075 1Rh 1pz 0.000005 0.000355 0.000353 -0.000428 0.000393 -0.000590 1Rh 1px 0.000095 0.000196 -0.000463 -0.000073 -0.000960 -0.000271 1Rh 1py 0.000176 -0.000451 -0.000010 -0.000442 -0.000175 0.000437 1Rh 2pz -0.000018 -0.001652 -0.001637 0.001984 -0.001823 0.002842 1Rh 2px -0.000447 -0.000912 0.002180 0.000342 0.004469 0.001307 1Rh 2py -0.000809 0.002091 0.000053 0.002056 0.000817 -0.002108 1Rh 3pz -0.000001 0.008519 0.008243 -0.009925 0.009095 -0.016564 1Rh 3px 0.002397 0.004630 -0.011701 -0.001807 -0.022541 -0.007599 1Rh 3py 0.003931 -0.010477 -0.000410 -0.010496 -0.004191 0.012293 1Rh 4pz 0.000286 -0.020187 -0.018963 0.022578 -0.019909 0.041502 1Rh 4px -0.005916 -0.010776 0.028885 0.004411 0.049952 0.018973 1Rh 4py -0.008682 0.023876 0.001346 0.024546 0.009513 -0.030835 1Rh 5pz -0.001037 0.029642 0.027146 -0.031779 0.024884 -0.051452 1Rh 5px 0.009441 0.015304 -0.045112 -0.006632 -0.063563 -0.023084 1Rh 5py 0.011578 -0.033658 -0.002581 -0.035488 -0.012045 0.038426 1Rh 6pz 0.016342 -0.021630 0.028444 0.073563 -0.042479 -0.045487 1Rh 6px -0.033836 -0.033261 0.116692 0.017294 0.176659 -0.029040 1Rh 6py 0.065015 0.071693 0.007752 0.052347 0.010370 0.022433 1Rh 1dz2 0.001596 0.001320 -0.000279 -0.000514 -0.001076 -0.002002 1Rh 1dxz 0.000090 -0.002283 -0.000324 0.001617 -0.001645 0.003222 1Rh 1dyz 0.001910 -0.000747 0.000334 0.000554 -0.000255 0.001457 1Rh 1dx2y2 0.000603 -0.001095 0.000844 -0.000283 0.002365 0.002163 1Rh 1dxy 0.000933 0.001587 0.000146 0.002981 0.000530 -0.002319 1Rh 2dz2 -0.004456 -0.003644 0.000764 0.001393 0.003063 0.005525 1Rh 2dxz -0.000241 0.006304 0.000887 -0.004460 0.004674 -0.008907 1Rh 2dyz -0.005422 0.002049 -0.000945 -0.001584 0.000725 -0.004020 1Rh 2dx2y2 -0.001679 0.003014 -0.002333 0.000771 -0.006722 -0.005968 1Rh 2dxy -0.002640 -0.004384 -0.000415 -0.008251 -0.001520 0.006408 1Rh 3dz2 0.007458 0.005880 -0.001199 -0.002099 -0.005398 -0.008592 1Rh 3dxz 0.000348 -0.010162 -0.001376 0.007154 -0.008170 0.013917 1Rh 3dyz 0.009530 -0.003225 0.001647 0.002881 -0.001270 0.006234 1Rh 3dx2y2 0.002790 -0.004805 0.003765 -0.001186 0.011787 0.009264 1Rh 3dxy 0.004596 0.007077 0.000725 0.013403 0.002769 -0.009993 1Rh 4dz2 -0.011468 -0.008153 0.001500 0.001939 0.010437 0.009984 1Rh 4dxz -0.000318 0.014047 0.001539 -0.009604 0.015341 -0.016502 1Rh 4dyz -0.016193 0.003940 -0.002698 -0.006034 0.002411 -0.007040 1Rh 4dx2y2 -0.004281 0.006267 -0.005041 0.001328 -0.022391 -0.010593 1Rh 4dxy -0.007731 -0.009781 -0.001146 -0.019106 -0.006027 0.011800 1Rh 5dz2 0.015178 0.011124 -0.004587 0.008960 -0.027691 -0.012280 1Rh 5dxz 0.001051 -0.020186 -0.001251 0.010358 -0.039912 0.022859 1Rh 5dyz 0.016850 0.000933 0.000373 0.032042 -0.006392 0.007487 1Rh 5dx2y2 0.005661 -0.003148 0.007431 0.000477 0.058579 0.011169 1Rh 5dxy 0.010160 0.013983 0.001005 0.032479 0.017654 -0.016939 1Rh 1f0 -0.000342 0.000139 -0.000498 0.000300 -0.000255 0.002922 1Rh 1f+1 0.000635 0.000134 0.000179 0.000836 0.000104 -0.001524 1Rh 1f-1 -0.000595 -0.000360 0.000009 0.000372 -0.000051 -0.001271 1Rh 1f+2 -0.000415 0.000403 0.000070 -0.000451 -0.000063 0.005953 1Rh 1f-2 0.001689 0.000515 0.000277 0.000902 -0.000112 0.003509 1Rh 1f+3 -0.000164 -0.000530 0.000422 -0.000058 0.000252 -0.004352 1Rh 1f-3 -0.000972 0.000586 0.000017 -0.000034 0.000047 0.001753 2C 1s 0.569765 0.406432 0.872715 -0.828575 -0.028555 0.011812 2C 2s -0.722292 -0.515318 -1.106596 1.050669 0.036203 -0.014867 2C 3s 0.646535 0.455905 0.974704 -0.920859 -0.080509 0.035951 2C 4s -0.265331 -0.150688 -0.297686 0.264353 0.677959 -0.330935 2C 5s 0.799252 0.631961 1.391398 -1.229960 -0.514461 0.223321 2C 1pz 0.019873 0.013120 0.028109 -0.026440 0.004620 -0.002508 2C 1px 0.004482 0.002864 0.006649 -0.006269 0.004475 -0.002284 2C 1py 0.012762 0.009165 0.018056 -0.016871 0.002911 -0.001407 2C 2pz -0.032061 0.002005 0.020765 -0.023163 0.379546 -0.189896 2C 2px -0.018226 -0.010942 -0.016317 0.012752 0.029465 -0.016314 2C 2py -0.019280 0.001215 0.018269 -0.018689 0.253840 -0.119679 2C 3pz 0.046600 0.054696 0.107239 -0.084167 -0.123542 0.078136 2C 3px 0.002200 0.005228 0.007883 -0.004466 -0.073965 0.048694 2C 3py 0.038982 0.022313 0.082025 -0.069593 -0.071866 0.003222 2C 1dz2 0.000829 -0.000058 0.002970 -0.003048 0.000687 -0.002547 2C 1dxz -0.002299 -0.001562 -0.002362 0.001983 -0.001049 0.000222 2C 1dyz 0.003757 0.004161 0.008105 -0.007885 0.004488 -0.001242 2C 1dx2y2 0.001879 0.000203 0.001479 -0.001885 0.003104 -0.002604 2C 1dxy 0.001527 0.000870 0.002728 -0.003028 0.003341 -0.003022 2C 2dz2 -0.022294 -0.005883 -0.018816 0.017346 0.054183 -0.019717 2C 2dxz 0.007684 0.009176 0.018625 -0.017132 0.063117 -0.028259 2C 2dyz -0.042915 -0.026399 -0.043212 0.038338 0.045535 -0.025605 2C 2dx2y2 -0.006365 -0.004850 -0.016480 0.016830 -0.065081 0.036918 2C 2dxy -0.008704 -0.005221 -0.010540 0.008880 -0.000852 0.001515 2C 1f0 0.012414 0.009708 0.020257 -0.019282 -0.008856 0.004345 2C 1f+1 0.004373 0.003700 0.008890 -0.008248 -0.015306 0.006687 2C 1f-1 0.012122 0.009646 0.021616 -0.022040 -0.041578 0.020336 2C 1f+2 -0.032171 -0.023499 -0.051616 0.049601 0.023650 -0.011516 2C 1f-2 0.037737 0.027222 0.058923 -0.056399 -0.009988 0.005065 2C 1f+3 -0.034890 -0.024635 -0.053085 0.050408 -0.009131 0.004868 2C 1f-3 -0.006021 -0.004262 -0.008045 0.007771 -0.009635 0.004271 3C 1s -0.832390 0.933026 0.475166 0.385219 -0.030109 0.040311 3C 2s 1.055194 -1.182927 -0.602493 -0.488502 0.038245 -0.051304 3C 3s -0.938770 1.036853 0.527175 0.431523 -0.082537 0.114684 3C 4s 0.347589 -0.297904 -0.137380 -0.138768 0.680782 -0.925184 3C 5s -1.204452 1.368648 0.793886 0.605127 -0.523254 0.784265 3C 1pz -0.015463 0.016173 0.008053 0.007448 0.000653 -0.001050 3C 1px -0.010767 0.011487 0.005861 0.004927 0.003818 -0.005697 3C 1py 0.028487 -0.030118 -0.014947 -0.012343 -0.005645 0.008023 3C 2pz -0.003194 0.032467 0.025272 0.006970 0.248227 -0.330374 3C 2px 0.015367 -0.001800 0.003917 -0.000531 0.115951 -0.147281 3C 2py -0.026687 -0.020915 -0.024255 -0.000052 -0.366392 0.478491 3C 3pz -0.063965 0.078314 0.050304 0.020442 -0.034649 0.079403 3C 3px -0.023709 0.031376 0.024642 0.014050 -0.075414 0.106659 3C 3py 0.072070 -0.087967 -0.062167 -0.049749 0.139446 -0.196287 3C 1dz2 0.002249 -0.003240 -0.001368 0.000240 -0.003488 0.003359 3C 1dxz 0.001051 -0.000526 0.000158 0.000227 -0.001152 0.000649 3C 1dyz 0.007612 -0.009933 -0.005392 -0.004311 -0.004953 0.006993 3C 1dx2y2 -0.001031 -0.000183 -0.000592 0.000714 0.001822 -0.001942 3C 1dxy 0.000899 -0.002216 -0.001336 -0.000874 -0.001437 0.002711 3C 2dz2 -0.017777 0.017096 0.007797 0.002433 0.005022 -0.004063 3C 2dxz -0.004840 0.012508 0.007911 0.001620 0.052991 -0.068136 3C 2dyz -0.056191 0.047225 0.021454 0.025688 -0.023084 0.026486 3C 2dx2y2 -0.010527 0.001213 -0.001702 0.000698 -0.081604 0.107964 3C 2dxy -0.012472 0.005468 -0.000063 0.002889 -0.053578 0.068342 3C 1f0 -0.023076 0.024181 0.012611 0.010161 0.023696 -0.031137 3C 1f+1 -0.012475 0.014213 0.007552 0.005710 -0.003854 0.004844 3C 1f-1 -0.031962 0.035474 0.018205 0.015301 0.008142 -0.010765 3C 1f+2 0.066667 -0.077385 -0.039069 -0.031256 0.024787 -0.032064 3C 1f-2 0.049438 -0.057627 -0.029706 -0.023336 0.024638 -0.031707 3C 1f+3 -0.008905 0.012294 0.006789 0.004574 -0.027012 0.035056 3C 1f-3 -0.006606 0.006076 0.002777 0.002711 0.018107 -0.023465 4C 1s 0.029618 0.019182 0.036357 -0.031952 0.703996 -0.344041 4C 2s -0.039876 -0.025952 -0.049565 0.043808 -0.941817 0.460464 4C 3s 0.048578 0.028542 0.068602 -0.085773 0.929604 -0.460775 4C 4s 0.103491 0.102073 0.178027 -0.030852 0.136469 -0.030314 4C 5s -0.411619 -0.230975 -0.538660 0.547300 0.609219 -0.341610 4C 1pz -0.020048 -0.016418 -0.033199 0.031859 0.002195 -0.004327 4C 1px -0.002978 -0.002239 -0.004969 0.005815 0.000012 -0.001856 4C 1py -0.012627 -0.009707 -0.022123 0.021690 0.002320 0.004339 4C 2pz 0.140979 0.139582 0.282648 -0.241365 0.848931 -0.394101 4C 2px -0.023229 -0.026677 -0.020452 -0.016590 0.130499 -0.060582 4C 2py 0.075802 0.072549 0.167428 -0.155980 0.558122 -0.291902 4C 3pz 0.005705 0.064684 0.181375 -0.107895 -0.238377 0.046126 4C 3px -0.078631 -0.046774 -0.079184 0.085782 -0.046777 -0.002944 4C 3py -0.025149 0.067357 0.088840 -0.029488 -0.169977 0.106172 4C 1dz2 -0.001900 -0.000122 0.000369 0.000286 -0.022694 0.011314 4C 1dxz -0.007194 -0.004390 -0.006695 0.005207 -0.077590 0.036920 4C 1dyz -0.000206 0.000621 0.001541 -0.001050 0.063095 -0.030433 4C 1dx2y2 0.007213 0.004333 0.006145 -0.004876 0.128889 -0.060684 4C 1dxy 0.001671 0.000877 0.000634 -0.000967 0.074332 -0.035439 4C 2dz2 -0.081567 -0.066358 -0.163159 0.152536 -0.248272 0.126692 4C 2dxz -0.069990 -0.069466 -0.140928 0.106775 -0.277146 0.136532 4C 2dyz -0.079526 -0.066462 -0.157062 0.153582 -0.177009 0.084240 4C 2dx2y2 0.092181 0.082422 0.180550 -0.149943 0.371403 -0.182271 4C 2dxy 0.009710 0.004832 0.020089 -0.016850 0.086375 -0.044776 4C 1f0 0.003665 0.001159 0.005363 -0.007684 -0.046559 0.021660 4C 1f+1 0.006282 0.003098 0.009959 -0.013173 -0.107649 0.050664 4C 1f-1 0.039686 0.029906 0.065495 -0.061994 0.003745 -0.002128 4C 1f+2 -0.014127 -0.009437 -0.023211 0.026740 0.082624 -0.039437 4C 1f-2 0.013290 0.009657 0.021669 -0.021692 0.001861 -0.000597 4C 1f+3 0.009253 0.007922 0.015707 -0.012743 0.014044 -0.007100 4C 1f-3 0.000759 -0.000129 -0.000417 -0.001552 -0.094299 0.046460 5C 1s -0.041879 0.038192 0.018512 0.017848 0.707407 -0.930837 5C 2s 0.056485 -0.052157 -0.025345 -0.024182 -0.946370 1.245805 5C 3s -0.069524 0.095516 0.034481 0.031294 0.934303 -1.257751 5C 4s -0.166246 0.052524 0.116588 0.077571 0.136756 -0.019737 5C 5s 0.554490 -0.592815 -0.259499 -0.226773 0.621375 -0.993093 5C 1pz 0.017754 -0.021882 -0.011383 -0.007836 0.002838 -0.005616 5C 1px 0.010049 -0.012459 -0.006295 -0.006276 0.001531 -0.002741 5C 1py -0.029853 0.035666 0.018413 0.015075 -0.001797 0.000922 5C 2pz -0.145128 0.181271 0.109176 0.060590 0.502465 -0.639460 5C 2px -0.033993 0.052930 0.030939 0.065622 0.311711 -0.387983 5C 2py 0.219283 -0.273600 -0.164573 -0.110208 -0.838608 1.083505 5C 3pz -0.051066 0.083555 0.098434 0.085519 -0.151720 0.150429 5C 3px 0.063711 -0.050832 0.001072 -0.016728 -0.094540 0.103498 5C 3py 0.037180 -0.099696 -0.133793 -0.049621 0.233555 -0.279941 5C 1dz2 0.004862 -0.003318 -0.001624 -0.002498 -0.091990 0.117512 5C 1dxz 0.007525 -0.004985 -0.001935 -0.002313 -0.075217 0.096118 5C 1dyz 0.003657 -0.003526 -0.002215 -0.001458 -0.090867 0.115692 5C 1dx2y2 -0.007344 0.004104 0.000682 0.002993 0.102150 -0.129898 5C 1dxy -0.004902 0.003654 0.001582 0.000895 0.011911 -0.015335 5C 2dz2 0.029677 -0.025139 -0.022018 -0.021201 -0.131667 0.170953 5C 2dxz 0.115409 -0.136680 -0.085259 -0.051377 -0.268917 0.352299 5C 2dyz -0.086458 0.121193 0.061209 0.050931 0.077126 -0.097340 5C 2dx2y2 -0.191545 0.226790 0.141041 0.104234 0.419700 -0.541687 5C 2dxy -0.110488 0.138866 0.081841 0.041270 0.208145 -0.274496 5C 1f0 0.040555 -0.046178 -0.025579 -0.018004 -0.054279 0.070099 5C 1f+1 0.004727 -0.003546 -0.003482 -0.003531 -0.075952 0.096518 5C 1f-1 0.006735 -0.007865 -0.004252 -0.003353 0.004252 -0.005022 5C 1f+2 0.036409 -0.043327 -0.022293 -0.018528 -0.001891 0.003410 5C 1f-2 0.026450 -0.033979 -0.015949 -0.014501 0.069506 -0.088589 5C 1f+3 -0.029714 0.037357 0.017598 0.012180 -0.078675 0.100110 5C 1f-3 0.009025 -0.014171 -0.005191 -0.003893 0.101023 -0.128995 6C 1s -0.040190 -0.036798 0.025147 -0.015980 0.708084 0.933983 6C 2s 0.054202 0.050241 -0.034363 0.021594 -0.947275 -1.250016 6C 3s -0.066523 -0.092750 0.047984 -0.027335 0.935205 1.261978 6C 4s -0.159970 -0.043180 0.137446 -0.063435 0.136747 0.019918 6C 5s 0.534699 0.574579 -0.352259 0.200564 0.621721 0.995304 6C 1pz -0.016995 -0.020954 0.014717 -0.006410 -0.002732 -0.005595 6C 1px -0.009532 -0.011900 0.008467 -0.005455 -0.001533 -0.002781 6C 1py 0.028524 0.034173 -0.024248 0.012774 0.001825 0.000899 6C 2pz 0.138971 0.172255 -0.136198 0.046202 -0.503238 -0.641787 6C 2px 0.029630 0.048418 -0.045558 0.060045 -0.312235 -0.389097 6C 2py -0.209273 -0.259746 0.208342 -0.088098 0.839472 1.087630 6C 3pz 0.046148 0.074183 -0.120935 0.069624 0.152140 0.150260 6C 3px -0.064226 -0.053889 0.007693 -0.020101 0.094492 0.103810 6C 3py -0.033839 -0.087097 0.151598 -0.027186 -0.233215 -0.280367 6C 1dz2 0.004626 0.003169 -0.002374 0.002353 -0.092039 -0.117859 6C 1dxz 0.007292 0.004902 -0.002875 0.002262 -0.075346 -0.096527 6C 1dyz 0.003537 0.003380 -0.002814 0.001201 -0.090941 -0.116081 6C 1dx2y2 -0.007050 -0.004083 0.001632 -0.003116 0.102263 0.130355 6C 1dxy -0.004802 -0.003618 0.002148 -0.000818 0.011827 0.015279 6C 2dz2 0.028202 0.023281 -0.028070 0.018272 -0.131635 -0.171408 6C 2dxz 0.110577 0.129688 -0.106593 0.040180 -0.269492 -0.354060 6C 2dyz -0.082329 -0.115922 0.080265 -0.042698 0.077223 0.097739 6C 2dx2y2 -0.182757 -0.214712 0.179138 -0.085452 0.420239 0.543620 6C 2dxy -0.105924 -0.132072 0.101433 -0.030504 0.208428 0.275674 6C 1f0 -0.038865 -0.044125 0.032892 -0.014839 0.054284 0.070281 6C 1f+1 -0.004417 -0.003158 0.004405 -0.003042 0.076079 0.096880 6C 1f-1 -0.006408 -0.007480 0.005517 -0.002826 -0.004241 -0.005012 6C 1f+2 -0.034780 -0.041471 0.029329 -0.015739 0.001941 0.003504 6C 1f-2 -0.025200 -0.032602 0.021374 -0.012485 -0.069609 -0.088962 6C 1f+3 0.028577 0.036032 -0.023050 0.010077 0.078704 0.100398 6C 1f-3 -0.008612 -0.013696 0.007009 -0.003243 -0.101101 -0.129440 7C 1s 0.028175 -0.015256 0.031607 0.039196 0.691462 0.346148 7C 2s -0.037894 0.020618 -0.043044 -0.053666 -0.925050 -0.463283 7C 3s 0.044269 -0.021549 0.054651 0.098744 0.912682 0.463676 7C 4s 0.103936 -0.083112 0.178511 0.067078 0.136384 0.030021 7C 5s -0.386646 0.176302 -0.453984 -0.655726 0.596257 0.345671 7C 1pz 0.018580 -0.013078 0.028461 0.038183 -0.002175 -0.004354 7C 1px 0.002703 -0.001735 0.004007 0.006667 -0.000049 -0.001867 7C 1py 0.011679 -0.007527 0.018871 0.025985 -0.002174 0.004379 7C 2pz -0.129976 0.111657 -0.247901 -0.294638 -0.833461 -0.395894 7C 2px 0.024269 -0.024489 0.026729 -0.009191 -0.126280 -0.060194 7C 2py -0.068778 0.056324 -0.143819 -0.186871 -0.550657 -0.294478 7C 3pz -0.002182 0.049180 -0.166408 -0.140620 0.234668 0.049273 7C 3px 0.076067 -0.038932 0.068709 0.105238 0.046051 -0.002488 7C 3py 0.025786 0.059759 -0.088279 -0.043599 0.167927 0.108384 7C 1dz2 -0.001888 0.000122 0.000426 -0.000261 -0.022696 -0.011594 7C 1dxz -0.007003 0.003650 -0.006074 -0.006737 -0.076402 -0.037219 7C 1dyz -0.000236 -0.000488 0.001406 0.001321 0.062247 0.030726 7C 1dx2y2 0.007025 -0.003610 0.005503 0.006193 0.126483 0.060999 7C 1dxy 0.001615 -0.000750 0.000455 0.001046 0.072941 0.035612 7C 2dz2 -0.074280 0.050118 -0.138792 -0.182036 -0.243212 -0.126866 7C 2dxz -0.064739 0.055249 -0.125603 -0.133102 -0.272169 -0.137060 7C 2dyz -0.072489 0.051240 -0.133731 -0.183417 -0.174408 -0.084895 7C 2dx2y2 0.085803 -0.064796 0.159026 0.184825 0.365729 0.183431 7C 2dxy 0.009250 -0.002942 0.017213 0.020666 0.084603 0.044863 7C 1f0 -0.003004 0.000470 -0.003610 -0.008137 0.045975 0.021901 7C 1f+1 -0.005477 0.002045 -0.007564 -0.014764 0.105674 0.050905 7C 1f-1 -0.036789 0.023317 -0.056095 -0.074535 -0.003677 -0.002127 7C 1f+2 0.013010 -0.007231 0.019181 0.031394 -0.081030 -0.039583 7C 1f-2 -0.012264 0.007463 -0.018286 -0.025765 -0.001518 -0.000459 7C 1f+3 -0.008663 0.006326 -0.013916 -0.015824 -0.014011 -0.007241 7C 1f-3 -0.000788 0.000017 0.000422 -0.001869 0.092819 0.046802 8C 1s -0.797569 -0.895206 0.626108 -0.328769 -0.030016 -0.040327 8C 2s 1.011054 1.134977 -0.793882 0.416922 0.038121 0.051319 8C 3s -0.899819 -0.995170 0.695769 -0.369576 -0.082500 -0.114989 8C 4s 0.335055 0.288720 -0.189872 0.126958 0.681614 0.928660 8C 5s -1.153009 -1.304128 1.022602 -0.505729 -0.522721 -0.784934 8C 1pz 0.014828 0.015569 -0.010836 0.006544 -0.000660 -0.001063 8C 1px 0.010345 0.011054 -0.007777 0.004255 -0.003884 -0.005801 8C 1py -0.027338 -0.028952 0.019823 -0.010655 0.005620 0.007995 8C 2pz 0.002437 0.029734 -0.028800 0.002338 -0.248307 -0.331393 8C 2px -0.015489 -0.002854 -0.003020 -0.002023 -0.115341 -0.146793 8C 2py 0.026526 -0.018082 0.025316 0.005532 0.367381 0.481015 8C 3pz 0.061502 0.074006 -0.060847 0.013781 0.034462 0.079751 8C 3px 0.022538 0.029141 -0.029544 0.010535 0.076348 0.108021 8C 3py -0.068638 -0.082782 0.078891 -0.041289 -0.139140 -0.195969 8C 1dz2 0.002221 0.003157 -0.001628 -0.000392 -0.003533 -0.003380 8C 1dxz 0.001055 0.000571 0.000122 -0.000140 -0.001155 -0.000655 8C 1dyz 0.007222 0.009451 -0.006992 0.003584 -0.004946 -0.007018 8C 1dx2y2 -0.000963 0.000142 -0.000473 -0.000848 0.001816 0.001954 8C 1dxy 0.000804 0.002052 -0.001651 0.000642 -0.001449 -0.002748 8C 2dz2 -0.017370 -0.016667 0.009920 -0.001741 0.005263 0.004270 8C 2dxz -0.004828 -0.011999 0.009386 -0.000443 0.053404 0.068819 8C 2dyz -0.054194 -0.046004 0.030609 -0.023950 -0.023136 -0.026513 8C 2dx2y2 -0.010531 -0.001704 -0.001222 -0.001520 -0.081456 -0.108150 8C 2dxy -0.012004 -0.005494 0.001039 -0.003314 -0.053874 -0.068928 8C 1f0 0.022434 0.023517 -0.016804 0.008835 -0.023750 -0.031272 8C 1f+1 0.010779 0.012277 -0.008893 0.004298 0.003930 0.004965 8C 1f-1 0.030367 0.033752 -0.023867 0.013045 -0.008112 -0.010763 8C 1f+2 -0.063500 -0.073864 0.051163 -0.026390 -0.024822 -0.032198 8C 1f-2 -0.048240 -0.056243 0.039625 -0.020084 -0.024559 -0.031674 8C 1f+3 0.008056 0.011215 -0.008301 0.003471 0.027057 0.035211 8C 1f-3 0.005976 0.005448 -0.003513 0.002286 -0.018116 -0.023536 9C 1s 0.531673 -0.317743 0.747587 0.997754 -0.027956 -0.011956 9C 2s -0.674008 0.402866 -0.947942 -1.265209 0.035439 0.015055 9C 3s 0.604384 -0.356531 0.835822 1.110446 -0.078976 -0.036398 9C 4s -0.253751 0.118399 -0.258346 -0.325616 0.665917 0.333449 9C 5s 0.745345 -0.493344 1.207874 1.498930 -0.504530 -0.230164 9C 1pz -0.018599 0.010184 -0.024029 -0.031852 -0.004462 -0.002506 9C 1px -0.004174 0.002179 -0.005679 -0.007551 -0.004419 -0.002323 9C 1py -0.012091 0.007337 -0.015695 -0.020582 -0.002966 -0.001482 9C 2pz 0.033233 0.001106 -0.016977 -0.025069 -0.373079 -0.190873 9C 2px 0.017622 -0.009090 0.014934 0.016508 -0.027967 -0.015765 9C 2py 0.020824 -0.000020 -0.014389 -0.019954 -0.249437 -0.120256 9C 3pz -0.043471 0.044614 -0.095994 -0.104909 0.119975 0.078949 9C 3px -0.001969 0.004489 -0.007379 -0.006045 0.072930 0.049078 9C 3py -0.035355 0.014233 -0.069999 -0.084640 0.072228 0.005064 9C 1dz2 0.000678 0.000318 0.002405 0.003594 0.000651 0.002551 9C 1dxz -0.002224 0.001310 -0.002113 -0.002507 -0.001021 -0.000206 9C 1dyz 0.003385 -0.003367 0.006940 0.009358 0.004413 0.001231 9C 1dx2y2 0.001822 -0.000076 0.001182 0.002256 0.003041 0.002550 9C 1dxy 0.001347 -0.000582 0.002180 0.003474 0.003291 0.003030 9C 2dz2 -0.021473 0.003748 -0.015960 -0.021632 0.052543 0.019440 9C 2dxz 0.007182 -0.007599 0.016468 0.021011 0.062080 0.028405 9C 2dyz -0.041484 0.021655 -0.038143 -0.047740 0.045114 0.025828 9C 2dx2y2 -0.005446 0.003308 -0.013699 -0.019745 -0.064509 -0.037323 9C 2dxy -0.008315 0.004144 -0.009258 -0.011059 -0.000838 -0.001524 9C 1f0 -0.011469 0.007628 -0.017265 -0.023010 0.008494 0.004282 9C 1f+1 -0.004243 0.002986 -0.007972 -0.010374 0.014852 0.006662 9C 1f-1 -0.010676 0.007271 -0.017676 -0.025352 0.040864 0.020444 9C 1f+2 0.031030 -0.019002 0.045729 0.061733 -0.023279 -0.011613 9C 1f-2 -0.034617 0.020948 -0.049666 -0.066812 0.009774 0.005065 9C 1f+3 0.031937 -0.018843 0.044578 0.059525 0.008884 0.004874 9C 1f-3 0.007080 -0.004256 0.008882 0.012012 0.009757 0.004469 10H 1s -0.016935 -0.012531 -0.026820 0.025530 0.015390 -0.007058 10H 2s -0.104832 -0.070216 -0.155727 0.149889 0.053798 -0.027684 10H 3s -0.116865 -0.088531 -0.191056 0.174671 0.045143 -0.020312 10H 1pz -0.044831 -0.031585 -0.068309 0.065638 -0.007913 0.003978 10H 1px 0.075798 0.053751 0.115952 -0.110494 -0.026114 0.012432 10H 1py -0.013113 -0.009211 -0.019728 0.019275 -0.005918 0.002652 11H 1s -0.020658 -0.014704 -0.031263 0.029756 -0.005349 0.002517 11H 2s -0.137737 -0.100553 -0.212490 0.200402 -0.041969 0.015012 11H 3s -0.136222 -0.095984 -0.220817 0.200088 -0.008216 0.025991 11H 1pz -0.054831 -0.039556 -0.085287 0.081057 -0.012494 0.005567 11H 1px -0.061311 -0.044197 -0.093977 0.089396 -0.004752 0.001171 11H 1py 0.042665 0.030557 0.064491 -0.061443 -0.018291 0.010111 12H 1s -0.019858 -0.013854 -0.030175 0.028709 0.001641 -0.000527 12H 2s -0.134066 -0.095432 -0.202794 0.194776 -0.022446 0.014333 12H 3s -0.129394 -0.100568 -0.210277 0.188682 0.012038 -0.014977 12H 1pz 0.021858 0.014851 0.032874 -0.031227 -0.023844 0.011021 12H 1px -0.041824 -0.029702 -0.063793 0.060959 -0.008844 0.005035 12H 1py -0.080456 -0.057577 -0.123270 0.117910 -0.000865 0.001908 13H 1s 0.025935 -0.029707 -0.015125 -0.011854 0.014140 -0.017036 13H 2s 0.154951 -0.169927 -0.085046 -0.073167 0.045365 -0.066769 13H 3s 0.173142 -0.195744 -0.107751 -0.086096 0.045110 -0.057934 13H 1pz 0.082413 -0.092566 -0.046786 -0.038688 0.007910 -0.010507 13H 1px -0.091930 0.102942 0.052289 0.042519 -0.021893 0.029216 13H 1py -0.042582 0.047826 0.023945 0.020050 0.014839 -0.019306 14H 1s 0.028239 -0.031727 -0.016277 -0.012725 0.004497 -0.004658 14H 2s 0.184267 -0.209791 -0.105928 -0.086005 -0.009005 0.009517 14H 3s 0.189826 -0.206629 -0.113127 -0.095522 0.018230 -0.027734 14H 1pz 0.061076 -0.069427 -0.035218 -0.028769 0.002362 -0.002260 14H 1px 0.117654 -0.133005 -0.067509 -0.054582 -0.001742 0.002736 14H 1py 0.021897 -0.024203 -0.012370 -0.009556 0.025896 -0.034364 15H 1s 0.030875 -0.034452 -0.017236 -0.013990 -0.006925 0.009748 15H 2s 0.200415 -0.223769 -0.114885 -0.095653 -0.044503 0.060481 15H 3s 0.203729 -0.224877 -0.124635 -0.092429 -0.010850 -0.008944 15H 1pz -0.088499 0.098930 0.049903 0.041529 -0.014051 0.017306 15H 1px 0.026381 -0.029868 -0.015334 -0.012319 -0.010116 0.013546 15H 1py -0.098280 0.110911 0.056681 0.046082 0.012869 -0.018677 16H 1s 0.000965 0.000291 0.000144 0.000356 -0.001390 0.000132 16H 2s 0.006515 -0.007646 -0.005421 -0.008626 -0.009515 0.004244 16H 3s 0.006912 -0.002421 0.008466 -0.003770 0.026382 0.001096 16H 1pz 0.001729 -0.002376 -0.001206 -0.000866 -0.002434 0.002243 16H 1px -0.000134 0.000181 0.000491 -0.000666 -0.000222 -0.000872 16H 1py 0.000230 0.000396 0.000004 -0.000275 -0.001239 -0.000134 17H 1s -0.001270 0.000384 0.000014 0.000095 -0.001391 -0.000277 17H 2s 0.008529 -0.004463 -0.007774 -0.000869 -0.010825 -0.011415 17H 3s -0.007004 -0.009965 0.003375 0.004212 0.026707 0.003916 17H 1pz -0.001276 0.000863 0.000791 0.001244 0.002399 0.002221 17H 1px -0.000763 -0.001086 0.000790 -0.000344 0.001589 0.004858 17H 1py 0.000585 0.000676 -0.000232 0.000556 -0.001839 -0.001807 18H 1s -0.001224 -0.000407 0.000072 -0.000142 -0.001409 0.000289 18H 2s 0.008551 0.003583 -0.007853 0.000096 -0.010464 0.010902 18H 3s -0.006845 0.010204 0.003041 -0.004088 0.026647 -0.003704 18H 1pz 0.001240 0.000746 -0.001053 0.001156 -0.002459 0.002247 18H 1px 0.000834 -0.001222 -0.000534 -0.000332 -0.001528 0.004752 18H 1py -0.000618 0.000742 0.000005 0.000529 0.001757 -0.001679 19H 1s 0.000975 -0.000256 0.000219 -0.000291 -0.001399 -0.000134 19H 2s 0.005909 0.007060 -0.007397 0.007842 -0.009151 -0.004524 19H 3s 0.006726 0.003462 0.007272 0.005540 0.026389 -0.000910 19H 1pz -0.001592 -0.002229 0.001507 -0.000668 0.002252 0.002263 19H 1px 0.000170 0.000126 -0.000386 -0.000733 0.000230 -0.000891 19H 1py -0.000282 0.000346 0.000043 -0.000326 0.001316 -0.000101 20H 1s 0.029563 0.033061 -0.022762 0.011948 -0.006844 -0.009679 20H 2s 0.192132 0.214806 -0.151798 0.082092 -0.044370 -0.060566 20H 3s 0.195356 0.214870 -0.160997 0.077345 -0.011022 0.008949 20H 1pz 0.084893 0.095096 -0.066126 0.035679 0.014141 0.017435 20H 1px -0.026213 -0.029700 0.020901 -0.010876 0.010214 0.013722 20H 1py 0.093871 0.106077 -0.074450 0.039204 -0.012855 -0.018720 21H 1s 0.027093 0.030465 -0.021356 0.010781 0.004322 0.004449 21H 2s 0.177115 0.201932 -0.140211 0.073623 -0.009987 -0.010796 21H 3s 0.181955 0.197803 -0.148623 0.082037 0.017802 0.027068 21H 1pz -0.059265 -0.067479 0.047066 -0.024875 -0.002310 -0.002203 21H 1px -0.112360 -0.127209 0.088674 -0.046384 0.002038 0.003110 21H 1py -0.021279 -0.023534 0.016418 -0.008215 -0.025866 -0.034423 22H 1s 0.024789 0.028435 -0.019821 0.010003 0.014245 0.017222 22H 2s 0.148185 0.162895 -0.112791 0.063205 0.045953 0.067777 22H 3s 0.165734 0.187045 -0.140195 0.072814 0.045373 0.058335 22H 1pz -0.078341 -0.088164 0.061358 -0.032888 -0.007798 -0.010401 22H 1px 0.088352 0.099080 -0.069163 0.036437 0.022121 0.029602 22H 1py 0.041215 0.046410 -0.032059 0.017404 -0.014630 -0.019062 23H 1s -0.018545 0.010811 -0.025838 -0.034584 0.001287 0.000359 23H 2s -0.125593 0.074953 -0.174250 -0.235166 -0.023346 -0.015171 23H 3s -0.121527 0.079651 -0.182780 -0.230032 0.010967 0.015418 23H 1pz -0.020750 0.011704 -0.028578 -0.038255 0.023249 0.010990 23H 1px 0.037955 -0.022583 0.053110 0.071340 0.008881 0.005140 23H 1py 0.075526 -0.045322 0.106189 0.142754 0.001216 0.002154 24H 1s -0.019240 0.011518 -0.026750 -0.035760 -0.005009 -0.002420 24H 2s -0.128762 0.079064 -0.182662 -0.241985 -0.040890 -0.014981 24H 3s -0.127088 0.073527 -0.189905 -0.242567 -0.007660 -0.024995 24H 1pz 0.050795 -0.030714 0.072597 0.096979 0.012169 0.005581 24H 1px 0.058160 -0.035230 0.081871 0.109415 0.004647 0.001168 24H 1py -0.039050 0.023517 -0.054154 -0.072491 0.018233 0.010265 25H 1s -0.015752 0.009825 -0.022984 -0.030693 0.015240 0.007134 25H 2s -0.097918 0.054264 -0.132621 -0.180116 0.053457 0.028242 25H 3s -0.108982 0.069128 -0.164849 -0.211686 0.044611 0.020699 25H 1pz 0.042219 -0.024874 0.058911 0.079645 0.007394 0.003816 25H 1px -0.070641 0.041924 -0.099117 -0.132818 0.025682 0.012552 25H 1py 0.011518 -0.006770 0.015795 0.021757 0.006293 0.002913 26O 1s -0.003714 -0.002341 -0.004861 0.004234 -0.011948 0.005614 26O 2s -0.000040 -0.000024 -0.000035 0.000077 -0.001698 0.000834 26O 3s 0.042502 0.027074 0.055643 -0.049017 0.236101 -0.112186 26O 4s -0.142516 -0.093616 -0.195021 0.170907 -0.736529 0.344458 26O 5s 0.128509 0.035686 0.034446 -0.049875 -0.161077 0.135596 26O 1pz -0.005387 -0.004194 -0.009225 0.008599 -0.010195 0.003069 26O 1px -0.005496 -0.004479 -0.008531 0.008708 -0.058803 0.028740 26O 1py -0.005794 -0.004351 -0.010213 0.010067 -0.028678 0.014705 26O 2pz 0.029176 0.023221 0.054698 -0.049242 0.076774 -0.032412 26O 2px 0.034803 0.027357 0.058532 -0.054133 0.465154 -0.227882 26O 2py 0.032347 0.026736 0.059745 -0.054930 0.222589 -0.109663 26O 3pz -0.001775 0.014040 0.005570 0.022602 0.105817 -0.038932 26O 3px -0.034326 0.008881 0.036306 0.009494 0.123845 -0.048002 26O 3py -0.016894 -0.013941 -0.001685 0.028835 0.107269 -0.043413 26O 1dz2 -0.001337 -0.001691 -0.001821 0.001280 -0.011034 0.005103 26O 1dxz 0.004379 0.002144 0.005866 -0.005405 0.006166 -0.004037 26O 1dyz 0.000800 0.000706 0.000671 -0.000826 -0.003207 0.001036 26O 1dx2y2 -0.000208 -0.000691 -0.000187 -0.000170 0.007493 -0.003572 26O 1dxy 0.002565 0.000636 0.002953 -0.003112 0.009957 -0.004175 26O 2dz2 0.003334 0.004779 0.005557 -0.002410 0.133464 -0.063166 26O 2dxz -0.017502 -0.010483 -0.026963 0.024678 -0.055160 0.030456 26O 2dyz -0.008187 -0.005694 -0.010479 0.011141 -0.004901 0.004915 26O 2dx2y2 0.000634 0.001329 0.000298 -0.001174 -0.139285 0.067628 26O 2dxy -0.012456 -0.006273 -0.017083 0.015627 -0.161823 0.076498 26O 1f0 0.000091 0.000162 -0.000851 0.000706 -0.014642 0.007861 26O 1f+1 0.000992 0.000878 0.002569 -0.002813 -0.053191 0.025653 26O 1f-1 -0.001591 -0.001028 -0.001835 0.001495 -0.026167 0.012173 26O 1f+2 -0.000864 -0.000444 -0.000808 0.001237 0.017349 -0.008860 26O 1f-2 0.001390 0.001602 0.002911 -0.002626 0.008862 -0.004725 26O 1f+3 -0.001203 -0.000535 -0.001078 0.000985 -0.022614 0.011665 26O 1f-3 -0.001180 -0.000604 -0.000733 0.000347 -0.068589 0.032961 27O 1s 0.005081 -0.004838 -0.002491 -0.001873 -0.011867 0.015052 27O 2s 0.000090 -0.000078 -0.000021 -0.000114 -0.001760 0.002274 27O 3s -0.059721 0.055548 0.029018 0.025379 0.237764 -0.302056 27O 4s 0.202293 -0.192554 -0.103607 -0.089568 -0.743882 0.927121 27O 5s -0.094719 0.057808 -0.038836 -0.037357 -0.201719 0.346262 27O 1pz 0.004764 -0.006470 -0.003894 -0.002595 0.000727 -0.003544 27O 1px 0.011322 -0.012928 -0.006684 -0.007124 -0.064939 0.084608 27O 1py -0.008629 0.009624 0.005284 0.005084 0.017537 -0.019726 27O 2pz -0.024067 0.032005 0.020033 0.014499 -0.008982 0.019692 27O 2px -0.072461 0.074063 0.046006 0.050563 0.515806 -0.663902 27O 2py 0.050966 -0.057019 -0.034623 -0.030336 -0.135762 0.163957 27O 3pz 0.007251 -0.015418 -0.012404 -0.035725 0.046356 -0.052468 27O 3px 0.008792 -0.017284 0.045947 0.023192 0.159792 -0.145482 27O 3py 0.016508 -0.007126 -0.017410 0.000955 -0.112183 0.120849 27O 1dz2 0.001854 -0.001756 -0.000465 0.000050 -0.006272 0.007620 27O 1dxz -0.002944 0.002532 0.000879 0.000846 0.000546 -0.002584 27O 1dyz -0.001677 0.002357 0.001197 -0.000203 0.006020 -0.007817 27O 1dx2y2 -0.001586 0.001019 0.000654 0.001422 0.014170 -0.016530 27O 1dxy 0.006428 -0.006268 -0.003497 -0.002889 -0.007003 0.010182 27O 2dz2 -0.011427 0.009376 0.005323 0.005332 0.122959 -0.157201 27O 2dxz 0.012949 -0.013548 -0.005688 -0.004641 0.012670 -0.009911 27O 2dyz -0.000129 -0.001535 -0.001688 0.002582 -0.023412 0.027647 27O 2dx2y2 0.007262 -0.001867 -0.003787 -0.008134 -0.207152 0.259957 27O 2dxy -0.030906 0.031194 0.018132 0.015879 0.099448 -0.132513 27O 1f0 -0.002494 0.002317 0.000992 0.000856 0.007952 -0.009433 27O 1f+1 0.001591 -0.000726 -0.000440 -0.000810 -0.054931 0.071603 27O 1f-1 -0.002161 0.001928 0.001084 0.001458 0.011608 -0.015123 27O 1f+2 -0.000448 0.000653 0.000605 0.000386 -0.004292 0.005404 27O 1f-2 0.002626 -0.003647 -0.001631 -0.001150 0.010550 -0.013333 27O 1f+3 -0.000221 0.002176 0.001182 -0.000200 -0.063536 0.082264 27O 1f-3 -0.001298 0.001217 0.001069 0.000933 0.045909 -0.060092 28O 1s -0.003515 -0.001822 -0.004555 0.003547 -0.011941 0.005613 28O 2s -0.000154 -0.000168 -0.000204 0.000177 -0.001776 0.000864 28O 3s 0.044963 0.027086 0.059307 -0.044682 0.240113 -0.113717 28O 4s -0.146904 -0.094828 -0.202812 0.153773 -0.758361 0.353885 28O 5s 0.000431 -0.098855 -0.160232 0.079795 -0.225867 0.149721 28O 1pz -0.008516 -0.007947 -0.013675 0.012856 -0.044186 0.019963 28O 1px 0.006454 0.005693 0.010235 -0.009016 0.050779 -0.025766 28O 1py -0.002502 -0.002871 -0.005818 0.005560 -0.007807 0.004066 28O 2pz 0.055591 0.053564 0.096293 -0.076674 0.354757 -0.167091 28O 2px -0.043126 -0.041181 -0.069695 0.049325 -0.405217 0.198264 28O 2py 0.016315 0.019324 0.036429 -0.030966 0.062217 -0.029403 28O 3pz 0.060318 0.065191 0.139067 -0.079481 0.195416 -0.081116 28O 3px 0.018556 -0.019095 -0.037597 -0.027512 -0.093661 0.036799 28O 3py 0.037837 0.004604 0.054016 -0.047850 0.085228 -0.039006 28O 1dz2 0.004404 0.001886 0.006435 -0.005287 0.001811 -0.001667 28O 1dxz -0.004276 -0.003370 -0.006052 0.004635 -0.016249 0.007863 28O 1dyz 0.001734 0.000758 0.001391 0.000181 -0.002886 0.001563 28O 1dx2y2 -0.001065 -0.001421 -0.002131 0.002024 0.006597 -0.002103 28O 1dxy -0.003693 -0.001743 -0.004452 0.004858 -0.006145 0.002721 28O 2dz2 -0.020768 -0.012178 -0.032444 0.026777 -0.028662 0.017419 28O 2dxz 0.022676 0.020157 0.034740 -0.022410 0.228104 -0.109593 28O 2dyz -0.013216 -0.007955 -0.015869 0.009825 -0.012705 0.006207 28O 2dx2y2 0.001410 0.000687 0.003693 -0.007703 -0.124479 0.056488 28O 2dxy 0.013575 0.008169 0.019098 -0.018294 0.047296 -0.021290 28O 1f0 0.001220 0.001042 0.002704 -0.003081 -0.031789 0.014987 28O 1f+1 -0.001867 -0.001548 -0.003468 0.002321 -0.046078 0.023335 28O 1f-1 0.001934 0.001749 0.003392 -0.003851 -0.001610 0.000684 28O 1f+2 0.001622 0.001293 0.000690 0.000665 0.069513 -0.033340 28O 1f-2 -0.002689 -0.002074 -0.004271 0.003740 -0.015834 0.006968 28O 1f+3 0.000721 0.000084 0.000067 0.000016 0.030388 -0.014604 28O 1f-3 0.001527 0.000888 0.002208 -0.002730 -0.016014 0.007194 29O 1s 0.000177 -0.000129 -0.000276 -0.000240 -0.001187 0.000001 29O 2s -0.000026 0.000012 0.000013 0.000024 0.000289 0.000011 29O 3s -0.001023 0.001024 0.002986 0.002030 0.006655 -0.000699 29O 4s 0.005438 -0.004494 -0.016632 -0.007656 -0.021987 0.001412 29O 5s -0.025616 0.016027 0.056729 0.021947 0.075976 0.007866 29O 1pz 0.000278 0.000980 0.000579 -0.000725 0.001709 -0.000848 29O 1px 0.000189 0.000371 0.000114 -0.000167 -0.004594 -0.000496 29O 1py 0.000032 -0.000818 0.000710 -0.000354 0.001659 0.000651 29O 2pz -0.000743 -0.005103 -0.002884 0.002350 -0.005752 0.006974 29O 2px -0.001915 -0.001265 0.001247 0.001094 0.015329 0.004402 29O 2py 0.000928 0.003009 -0.003197 0.001102 -0.008412 -0.004263 29O 3pz 0.004610 0.005601 0.017264 -0.013763 0.017356 0.002244 29O 3px 0.005876 0.005293 -0.022317 -0.006378 -0.043540 -0.003182 29O 3py 0.009911 -0.016707 -0.003497 -0.008629 0.003653 0.001878 29O 1dz2 0.000366 0.000059 0.000066 0.000221 -0.001044 -0.000077 29O 1dxz 0.000075 -0.000174 0.000576 -0.000437 -0.001150 -0.000080 29O 1dyz 0.000645 0.000298 0.000325 -0.000452 -0.000254 0.000438 29O 1dx2y2 0.000133 0.000135 -0.000630 -0.000082 0.001740 -0.000031 29O 1dxy 0.000407 -0.000491 0.000184 -0.000228 0.000833 0.000403 29O 2dz2 -0.001368 0.000262 0.000035 -0.000220 0.003457 -0.000225 29O 2dxz -0.000455 0.000173 -0.001375 0.000713 0.003399 0.001435 29O 2dyz -0.001626 0.000371 -0.000729 0.001501 0.000570 -0.003600 29O 2dx2y2 -0.000235 -0.000448 0.001836 0.000153 -0.003796 -0.000003 29O 2dxy -0.000445 0.000997 -0.000698 0.000243 -0.003175 -0.002258 29O 1f0 0.000128 0.000049 -0.000063 -0.000270 -0.000083 -0.000171 29O 1f+1 0.000056 0.000034 -0.000051 -0.000027 -0.000264 0.000205 29O 1f-1 0.000288 -0.000149 -0.000387 -0.000106 -0.000852 -0.000078 29O 1f+2 -0.000315 0.000200 0.000016 0.000065 -0.000619 -0.000274 29O 1f-2 0.000263 -0.000052 -0.000362 0.000063 -0.000923 -0.000412 29O 1f+3 -0.000186 0.000202 -0.000007 0.000257 -0.000860 0.000182 29O 1f-3 -0.000131 0.000166 0.000040 -0.000127 -0.000260 0.000219 30O 1s 0.004944 -0.004130 -0.002378 -0.001825 -0.012008 0.015055 30O 2s 0.000199 -0.000225 -0.000095 -0.000056 -0.001742 0.002296 30O 3s -0.062836 0.053335 0.030834 0.022096 0.239187 -0.303246 30O 4s 0.208943 -0.184246 -0.107269 -0.074897 -0.751357 0.937099 30O 5s 0.026059 -0.101959 -0.118241 -0.025566 -0.198565 0.374451 30O 1pz 0.009848 -0.012307 -0.006098 -0.004341 -0.033816 0.042633 30O 1px -0.007032 0.007463 0.003826 0.002945 0.045405 -0.061854 30O 1py -0.010647 0.013062 0.006682 0.005019 0.036192 -0.045392 30O 2pz -0.062582 0.071061 0.041130 0.025936 0.268026 -0.342939 30O 2px 0.048684 -0.046171 -0.028417 -0.015505 -0.359879 0.475298 30O 2py 0.072059 -0.082467 -0.048946 -0.029153 -0.288689 0.367527 30O 3pz -0.043048 0.030792 0.050112 0.008471 0.132793 -0.134702 30O 3px -0.015296 0.015610 -0.035653 0.015143 -0.054453 0.049253 30O 3py 0.095323 -0.084389 -0.082502 -0.061786 -0.178063 0.186834 30O 1dz2 -0.001455 0.001693 0.000630 0.001649 0.001050 -0.002517 30O 1dxz 0.001788 -0.001939 -0.001062 0.000194 -0.010818 0.013341 30O 1dyz 0.004545 -0.002923 -0.002114 -0.001023 -0.003921 0.004967 30O 1dx2y2 0.006250 -0.006409 -0.003366 -0.001859 0.001428 -0.000211 30O 1dxy -0.006154 0.006326 0.003099 0.002829 0.015142 -0.019031 30O 2dz2 0.003036 -0.004707 -0.001574 -0.004473 0.023974 -0.028065 30O 2dxz -0.012342 0.010293 0.007708 0.001570 0.157282 -0.200717 30O 2dyz -0.030743 0.025742 0.016578 0.009013 0.104186 -0.136682 30O 2dx2y2 -0.026378 0.029269 0.015152 0.009594 -0.041930 0.048597 30O 2dxy 0.027271 -0.026278 -0.016078 -0.010918 -0.178558 0.227644 30O 1f0 0.002390 -0.002312 -0.001036 -0.000912 -0.037302 0.048953 30O 1f+1 -0.001889 0.002552 0.001024 0.000840 -0.011077 0.015095 30O 1f-1 0.001317 -0.001868 -0.000881 -0.000550 -0.004016 0.005627 30O 1f+2 0.001867 -0.003436 -0.001905 -0.001590 0.024057 -0.030564 30O 1f-2 -0.004648 0.003580 0.002231 0.001816 0.065829 -0.085817 30O 1f+3 0.001169 -0.001264 -0.001221 0.000030 -0.020396 0.026649 30O 1f-3 0.002258 -0.003993 -0.001819 -0.001678 0.050589 -0.065520 31O 1s 0.004781 0.003955 -0.003063 0.001583 -0.012024 -0.015116 31O 2s 0.000191 0.000219 -0.000129 0.000046 -0.001743 -0.002303 31O 3s -0.060749 -0.051109 0.039598 -0.018927 0.239446 0.304376 31O 4s 0.201764 0.176353 -0.137333 0.063412 -0.752224 -0.940735 31O 5s 0.023740 0.091709 -0.133496 0.005882 -0.198556 -0.375658 31O 1pz -0.009379 -0.011787 0.007985 -0.003603 0.033873 0.042799 31O 1px 0.006777 0.007222 -0.005090 0.002525 -0.045470 -0.062087 31O 1py 0.010156 0.012533 -0.008777 0.004150 -0.036197 -0.045530 31O 2pz 0.059838 0.067709 -0.052341 0.020866 -0.268368 -0.344269 31O 2px -0.047079 -0.044307 0.035904 -0.012330 0.360294 0.477057 31O 2py -0.069021 -0.078597 0.061812 -0.022838 0.288811 0.368678 31O 3pz 0.043009 0.027505 -0.055048 0.001623 -0.133169 -0.135672 31O 3px 0.015116 0.019521 0.031702 0.021795 0.054385 0.049599 31O 3py -0.091690 -0.077932 0.101195 -0.050888 0.178559 0.188216 31O 1dz2 -0.001378 -0.001673 0.001081 -0.001566 0.001049 0.002527 31O 1dxz 0.001773 0.001880 -0.001219 -0.000322 -0.010827 -0.013405 31O 1dyz 0.004447 0.002805 -0.002573 0.000846 -0.003920 -0.004990 31O 1dx2y2 0.006069 0.006177 -0.004268 0.001500 0.001430 0.000227 31O 1dxy -0.005914 -0.006082 0.004168 -0.002502 0.015168 0.019109 31O 2dz2 0.002868 0.004668 -0.002774 0.004225 0.023962 0.028087 31O 2dxz -0.012065 -0.009815 0.009101 -0.000678 0.157444 0.201509 31O 2dyz -0.029843 -0.024651 0.020637 -0.007290 0.104259 0.137158 31O 2dx2y2 -0.025518 -0.028163 0.019409 -0.007883 -0.041993 -0.048846 31O 2dxy 0.026254 0.025046 -0.020498 0.009075 -0.178711 -0.228412 31O 1f0 -0.002305 -0.002249 0.001431 -0.000816 0.037334 0.049109 31O 1f+1 0.001792 0.002449 -0.001387 0.000719 0.011105 0.015189 31O 1f-1 -0.001289 -0.001824 0.001167 -0.000457 0.004034 0.005671 31O 1f+2 -0.001767 -0.003281 0.002483 -0.001306 -0.024087 -0.030690 31O 1f-2 0.004478 0.003425 -0.002903 0.001586 -0.065881 -0.086106 31O 1f+3 -0.001148 -0.001170 0.001336 0.000189 0.020400 0.026708 31O 1f-3 -0.002141 -0.003841 0.002448 -0.001420 -0.050633 -0.065729 32O 1s 0.000166 0.000103 -0.000321 0.000198 -0.001183 -0.000011 32O 2s -0.000025 -0.000010 0.000017 -0.000023 0.000288 -0.000009 32O 3s -0.000932 -0.000770 0.003372 -0.001514 0.006655 0.000753 32O 4s 0.005104 0.002993 -0.018013 0.004863 -0.021934 -0.001645 32O 5s -0.024625 -0.010533 0.060442 -0.013090 0.075270 -0.006869 32O 1pz -0.000270 0.000932 -0.000521 -0.000858 -0.001644 -0.000867 32O 1px -0.000185 0.000367 -0.000115 -0.000202 0.004610 -0.000457 32O 1py -0.000016 -0.000884 -0.000552 -0.000474 -0.001645 0.000619 32O 2pz 0.000806 -0.004844 0.002822 0.003040 0.005386 0.007048 32O 2px 0.001901 -0.001433 -0.001274 0.001035 -0.015363 0.004204 32O 2py -0.000982 0.003307 0.002619 0.001555 0.008301 -0.004011 32O 3pz -0.003707 0.004074 -0.014871 -0.016897 -0.016976 0.002051 32O 3px -0.005545 0.007539 0.022531 -0.002728 0.043572 -0.002914 32O 3py -0.009448 -0.016366 0.006226 -0.008579 -0.003894 0.002189 32O 1dz2 0.000381 -0.000043 0.000115 -0.000209 -0.001037 0.000079 32O 1dxz 0.000035 0.000224 0.000466 0.000529 -0.001148 0.000076 32O 1dyz 0.000615 -0.000249 0.000238 0.000535 -0.000266 -0.000435 32O 1dx2y2 0.000120 -0.000199 -0.000638 -0.000038 0.001734 0.000061 32O 1dxy 0.000383 0.000521 0.000101 0.000271 0.000832 -0.000398 32O 2dz2 -0.001366 -0.000227 -0.000017 0.000223 0.003406 0.000129 32O 2dxz -0.000406 -0.000258 -0.001213 -0.000989 0.003400 -0.001447 32O 2dyz -0.001504 -0.000494 -0.000326 -0.001638 0.000608 0.003580 32O 2dx2y2 -0.000219 0.000654 0.001833 0.000192 -0.003751 -0.000141 32O 2dxy -0.000394 -0.001099 -0.000530 -0.000339 -0.003137 0.002164 32O 1f0 -0.000101 0.000066 0.000083 -0.000271 0.000045 -0.000159 32O 1f+1 -0.000046 0.000037 0.000042 -0.000013 0.000238 0.000217 32O 1f-1 -0.000285 -0.000090 0.000407 -0.000065 0.000859 -0.000093 32O 1f+2 0.000322 0.000207 -0.000062 0.000065 0.000588 -0.000266 32O 1f-2 -0.000272 -0.000012 0.000343 0.000098 0.000907 -0.000397 32O 1f+3 0.000170 0.000198 -0.000041 0.000273 0.000889 0.000155 32O 1f-3 0.000138 0.000154 -0.000022 -0.000123 0.000268 0.000244 33O 1s -0.003347 0.001342 -0.003995 -0.004463 -0.011740 -0.005655 33O 2s -0.000147 0.000147 -0.000185 -0.000219 -0.001746 -0.000869 33O 3s 0.042921 -0.020843 0.052672 0.056705 0.236081 0.114499 33O 4s -0.139900 0.073637 -0.180233 -0.194547 -0.745957 -0.356401 33O 5s 0.002843 0.084899 -0.154881 -0.109569 -0.221816 -0.149381 33O 1pz 0.007956 -0.006563 0.011914 0.015516 0.043409 0.020066 33O 1px -0.006082 0.004667 -0.009013 -0.011065 -0.049924 -0.025930 33O 1py 0.002218 -0.002294 0.004966 0.006579 0.007750 0.004104 33O 2pz -0.052214 0.043807 -0.086027 -0.095414 -0.348474 -0.167888 33O 2px 0.041168 -0.034130 0.063752 0.063498 0.398660 0.199604 33O 2py -0.014875 0.015748 -0.032076 -0.037684 -0.061738 -0.029764 33O 3pz -0.057524 0.051360 -0.128778 -0.106905 -0.192852 -0.081628 33O 3px -0.017131 -0.015764 0.044062 -0.020679 0.093109 0.037065 33O 3py -0.036665 -0.000242 -0.046493 -0.060407 -0.084497 -0.039694 33O 1dz2 0.004119 -0.001214 0.005516 0.006519 0.001752 0.001655 33O 1dxz -0.004072 0.002740 -0.005438 -0.005858 -0.015970 -0.007897 33O 1dyz 0.001769 -0.000614 0.001508 0.000227 -0.002827 -0.001571 33O 1dx2y2 -0.000993 0.001209 -0.001869 -0.002422 0.006545 0.002145 33O 1dxy -0.003509 0.001313 -0.003739 -0.005835 -0.006062 -0.002754 33O 2dz2 -0.019387 0.008810 -0.028077 -0.032969 -0.027769 -0.017292 33O 2dxz 0.021760 -0.016551 0.032049 0.029483 0.224139 0.110189 33O 2dyz -0.012884 0.006361 -0.014764 -0.013436 -0.012666 -0.006330 33O 2dx2y2 0.001051 -0.000360 0.002328 0.008257 -0.122670 -0.056994 33O 2dxy 0.012910 -0.006347 0.016550 0.022406 0.046846 0.021608 33O 1f0 -0.001046 0.000766 -0.002172 -0.003513 0.031301 0.015123 33O 1f+1 0.001752 -0.001182 0.003117 0.002987 0.045081 0.023380 33O 1f-1 -0.001797 0.001433 -0.002863 -0.004545 0.001567 0.000679 33O 1f+2 -0.001660 0.001171 -0.000880 0.000475 -0.068311 -0.033560 33O 1f-2 0.002556 -0.001665 0.003774 0.004640 0.015689 0.007084 33O 1f+3 -0.000709 0.000054 -0.000050 -0.000002 -0.029917 -0.014728 33O 1f-3 -0.001383 0.000656 -0.001744 -0.003126 0.015876 0.007311 34O 1s 0.004913 0.004659 -0.003264 0.001618 -0.011884 -0.015108 34O 2s 0.000081 0.000074 -0.000048 0.000111 -0.001761 -0.002282 34O 3s -0.057537 -0.053359 0.038574 -0.022349 0.238061 0.303146 34O 4s 0.194717 0.184681 -0.136992 0.078354 -0.744827 -0.930551 34O 5s -0.096966 -0.065650 -0.037964 0.025196 -0.201863 -0.346957 34O 1pz -0.004529 -0.006130 0.004912 -0.002079 -0.000718 -0.003553 34O 1px -0.010695 -0.012318 0.009067 -0.006264 0.065000 0.084886 34O 1py 0.008257 0.009234 -0.007056 0.004425 -0.017567 -0.019843 34O 2pz 0.022845 0.030266 -0.025345 0.011781 0.009045 0.019817 34O 2px 0.068415 0.069797 -0.061378 0.044511 -0.516336 -0.666135 34O 2py -0.048666 -0.054247 0.045090 -0.025832 0.136055 0.164807 34O 3pz -0.005605 -0.014034 0.019915 -0.033633 -0.046308 -0.052470 34O 3px -0.010090 -0.022814 -0.047749 0.014320 -0.159951 -0.145817 34O 3py -0.014994 -0.004568 0.017224 0.003551 0.112195 0.121074 34O 1dz2 0.001828 0.001726 -0.000618 -0.000060 -0.006275 -0.007641 34O 1dxz -0.002867 -0.002494 0.001263 -0.000795 0.000531 0.002591 34O 1dyz -0.001620 -0.002259 0.001362 0.000349 0.006025 0.007846 34O 1dx2y2 -0.001504 -0.000968 0.000986 -0.001355 0.014165 0.016568 34O 1dxy 0.006157 0.005957 -0.004532 0.002482 -0.007020 -0.010211 34O 2dz2 -0.010959 -0.008889 0.007110 -0.004763 0.123083 0.157723 34O 2dxz 0.012531 0.013175 -0.007707 0.004067 0.012822 0.010056 34O 2dyz -0.000100 0.001378 -0.001335 -0.002850 -0.023462 -0.027785 34O 2dx2y2 0.006748 0.001464 -0.005374 0.007642 -0.207280 -0.260759 34O 2dxy -0.029483 -0.029541 0.023572 -0.013650 0.099668 0.133053 34O 1f0 0.002413 0.002254 -0.001369 0.000777 -0.008010 -0.009516 34O 1f+1 -0.001509 -0.000679 0.000648 -0.000776 0.054976 0.071837 34O 1f-1 0.002039 0.001824 -0.001500 0.001318 -0.011624 -0.015182 34O 1f+2 0.000436 0.000607 -0.000728 0.000293 0.004344 0.005471 34O 1f-2 -0.002499 -0.003508 0.002152 -0.000942 -0.010588 -0.013407 34O 1f+3 0.000194 0.002049 -0.001304 -0.000407 0.063563 0.082507 34O 1f-3 0.001197 0.001085 -0.001321 0.000778 -0.046000 -0.060339 35O 1s -0.003529 0.001832 -0.004243 -0.005216 -0.011743 -0.005655 35O 2s -0.000037 0.000020 -0.000021 -0.000081 -0.001667 -0.000838 35O 3s 0.040398 -0.021241 0.048421 0.060139 0.232007 0.112913 35O 4s -0.135261 0.073409 -0.169854 -0.209807 -0.723968 -0.346694 35O 5s 0.126701 -0.030527 0.029577 0.064516 -0.156282 -0.134686 35O 1pz 0.005040 -0.003302 0.007977 0.010426 0.010069 0.003089 35O 1px 0.005113 -0.003607 0.007199 0.010287 0.057725 0.028892 35O 1py 0.005303 -0.003321 0.008601 0.011956 0.028233 0.014800 35O 2pz -0.027095 0.017914 -0.047318 -0.059770 -0.075528 -0.032502 35O 2px -0.032537 0.021419 -0.050073 -0.064844 -0.456694 -0.229012 35O 2py -0.029880 0.020771 -0.051267 -0.066070 -0.219088 -0.110389 35O 3pz 0.001767 0.012622 -0.009195 0.023046 -0.103872 -0.039445 35O 3px 0.033700 0.005698 -0.037477 0.005884 -0.121740 -0.048050 35O 3py 0.015574 -0.013637 -0.002211 0.029886 -0.105746 -0.043749 35O 1dz2 -0.001288 0.001492 -0.001708 -0.001642 -0.010819 -0.005122 35O 1dxz 0.004074 -0.001516 0.004942 0.006492 0.006037 0.004042 35O 1dyz 0.000777 -0.000613 0.000573 0.000943 -0.003173 -0.001061 35O 1dx2y2 -0.000241 0.000682 -0.000310 0.000070 0.007371 0.003590 35O 1dxy 0.002433 -0.000349 0.002434 0.003717 0.009805 0.004208 35O 2dz2 0.003296 -0.004174 0.005397 0.003445 0.131078 0.063511 35O 2dxz -0.016184 0.007659 -0.022854 -0.029598 -0.054025 -0.030513 35O 2dyz -0.007715 0.004559 -0.008814 -0.013107 -0.004683 -0.004864 35O 2dx2y2 0.000632 -0.001387 0.000427 0.001546 -0.136691 -0.067932 35O 2dxy -0.011839 0.004560 -0.014612 -0.018952 -0.159193 -0.077042 35O 1f0 -0.000150 0.000246 0.000668 0.000808 0.014320 0.007875 35O 1f+1 -0.000829 0.000630 -0.002100 -0.003254 0.052222 0.025798 35O 1f-1 0.001554 -0.000839 0.001651 0.001901 0.025740 0.012265 35O 1f+2 0.000814 -0.000372 0.000643 0.001444 -0.017021 -0.008898 35O 1f-2 -0.001257 0.001305 -0.002520 -0.003141 -0.008658 -0.004732 35O 1f+3 0.001135 -0.000393 0.000887 0.001164 0.022109 0.011685 35O 1f-3 0.001167 -0.000496 0.000675 0.000480 0.067447 0.033206 756 757 758 759 760 761 23.32252 23.37286 43.51634 43.66027 43.85010 43.91896 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s 0.000047 -0.000016 -0.050636 -0.012006 0.031365 -0.011126 0Rh 2s 0.000188 -0.000058 -0.290066 -0.069044 0.180024 -0.063990 0Rh 3s 0.000413 -0.000135 -0.495866 -0.117712 0.307366 -0.109098 0Rh 4s -0.000349 0.000080 0.850500 0.203864 -0.528688 0.188521 0Rh 5s -0.000747 0.000450 -0.416873 -0.109932 0.265105 -0.097488 0Rh 6s 0.001402 -0.001064 0.154705 0.066883 -0.121688 0.045423 0Rh 7s -0.008662 0.006314 0.216466 0.066223 -0.009752 0.000365 0Rh 8s -0.008371 -0.002183 -0.071967 0.189001 -0.026127 -0.002486 0Rh 1pz -0.000463 0.000033 0.000519 -0.000322 0.000412 0.000877 0Rh 1px -0.000021 -0.000006 -0.001564 0.000801 -0.001142 0.000304 0Rh 1py -0.000621 0.000055 -0.000172 -0.000015 -0.000170 -0.000587 0Rh 2pz 0.002232 -0.000151 -0.002408 0.001484 -0.001926 -0.004044 0Rh 2px 0.000107 0.000030 0.007265 -0.003678 0.005329 -0.001396 0Rh 2py 0.002997 -0.000254 0.000795 0.000085 0.000790 0.002707 0Rh 3pz -0.012969 0.000726 0.011833 -0.007064 0.009728 0.018413 0Rh 3px -0.000723 -0.000172 -0.035807 0.017222 -0.026759 0.006205 0Rh 3py -0.017526 0.001218 -0.003901 -0.000764 -0.003872 -0.012293 0Rh 4pz 0.032415 -0.001551 -0.025686 0.015209 -0.021456 -0.031199 0Rh 4px 0.002072 0.000446 0.078237 -0.036434 0.058641 -0.009591 0Rh 4py 0.044025 -0.002527 0.008649 0.002469 0.008068 0.020687 0Rh 5pz -0.040130 0.002215 0.036124 -0.026967 0.027971 0.019915 0Rh 5px -0.003127 -0.000703 -0.110308 0.066948 -0.075523 0.003190 0Rh 5py -0.054399 0.002668 -0.012821 -0.002332 -0.008933 -0.012763 0Rh 6pz -0.030821 -0.006261 -0.145215 0.327920 -0.156021 -0.357815 0Rh 6px 0.009006 -0.000993 0.361077 -0.941727 0.418559 -0.132346 0Rh 6py -0.062365 0.017895 0.017780 -0.087368 0.047361 0.233042 0Rh 1dz2 0.001248 -0.002816 0.000436 -0.000841 0.000099 -0.000115 0Rh 1dxz -0.002846 -0.000012 0.000475 -0.001043 0.000143 0.000289 0Rh 1dyz 0.000319 -0.007893 0.000357 -0.000406 0.000084 0.000136 0Rh 1dx2y2 0.000683 -0.001261 -0.000763 0.001729 -0.000170 0.000131 0Rh 1dxy -0.004115 -0.002974 -0.001021 0.001137 -0.000232 -0.000110 0Rh 2dz2 -0.003415 0.007932 -0.001477 0.002846 -0.000155 0.000424 0Rh 2dxz 0.007874 0.000043 -0.001614 0.003536 -0.000241 -0.000956 0Rh 2dyz -0.000828 0.022235 -0.001192 0.001365 -0.000241 -0.000461 0Rh 2dx2y2 -0.001897 0.003557 0.002585 -0.005848 0.000209 -0.000502 0Rh 2dxy 0.011383 0.008381 0.003422 -0.003818 0.000637 0.000362 0Rh 3dz2 0.005137 -0.012968 0.003025 -0.005914 -0.000706 -0.001093 0Rh 3dxz -0.012334 -0.000131 0.003315 -0.007359 -0.000888 0.001888 0Rh 3dyz 0.000987 -0.036424 0.002395 -0.002786 0.000255 0.000979 0Rh 3dx2y2 0.003025 -0.005859 -0.005277 0.012113 0.001653 0.001398 0Rh 3dxy -0.017825 -0.013729 -0.006934 0.007801 -0.000488 -0.000712 0Rh 4dz2 -0.005066 0.015511 -0.004170 0.010225 0.005964 0.003099 0Rh 4dxz 0.014778 0.000653 -0.004212 0.012582 0.007926 -0.003383 0Rh 4dyz 0.000378 0.044677 -0.003682 0.004703 0.000686 -0.002006 0Rh 4dx2y2 -0.003942 0.007419 0.006754 -0.020629 -0.012497 -0.004218 0Rh 4dxy 0.021261 0.016754 0.011035 -0.013228 -0.002913 0.001392 0Rh 5dz2 0.002144 -0.004649 -0.006689 -0.022036 -0.015797 -0.008930 0Rh 5dxz -0.021081 -0.003155 -0.012449 -0.025675 -0.020546 0.013935 0Rh 5dyz -0.007987 -0.020755 0.002177 -0.008905 -0.002996 0.007523 0Rh 5dx2y2 0.007240 -0.004864 0.018263 0.041777 0.032288 0.010278 0Rh 5dxy -0.029113 -0.006829 -0.008962 0.026383 0.008934 -0.007484 0Rh 1f0 -0.002374 0.001453 0.002228 -0.003873 -0.000614 0.000075 0Rh 1f+1 -0.001890 -0.001644 -0.001619 0.003122 0.000549 0.001311 0Rh 1f-1 -0.006985 0.001997 -0.000455 0.001043 -0.000007 0.000275 0Rh 1f+2 0.002411 0.001143 -0.002954 0.005604 0.000482 -0.000909 0Rh 1f-2 -0.003818 -0.003690 -0.000871 0.001951 0.000202 -0.001004 0Rh 1f+3 0.000589 0.000354 -0.003365 0.006292 0.000868 0.001385 0Rh 1f-3 -0.002195 0.002266 -0.001611 0.003086 0.000610 -0.000629 1Rh 1s -0.000062 -0.000018 -0.050680 0.011964 -0.031277 -0.011248 1Rh 2s -0.000255 -0.000067 -0.290319 0.068802 -0.179516 -0.064693 1Rh 3s -0.000545 -0.000154 -0.496299 0.117299 -0.306500 -0.110296 1Rh 4s 0.000535 0.000097 0.851246 -0.203156 0.527190 0.190589 1Rh 5s 0.000606 0.000482 -0.417259 0.109594 -0.264320 -0.098542 1Rh 6s -0.000925 -0.001133 0.154892 -0.066785 0.121294 0.045853 1Rh 7s 0.005425 0.006381 0.216645 -0.065803 0.009818 -0.000291 1Rh 8s 0.007731 -0.003082 -0.071993 -0.189275 0.026295 -0.006048 1Rh 1pz -0.000457 -0.000031 -0.000519 -0.000319 0.000407 -0.000880 1Rh 1px -0.000034 0.000008 0.001563 0.000804 -0.001144 -0.000296 1Rh 1py -0.000622 -0.000054 0.000173 -0.000014 -0.000169 0.000589 1Rh 2pz 0.002202 0.000141 0.002409 0.001471 -0.001905 0.004056 1Rh 2px 0.000165 -0.000036 -0.007261 -0.003691 0.005339 0.001361 1Rh 2py 0.003002 0.000248 -0.000803 0.000080 0.000785 -0.002713 1Rh 3pz -0.012821 -0.000665 -0.011833 -0.007003 0.009632 -0.018479 1Rh 3px -0.001015 0.000204 0.035785 0.017285 -0.026805 -0.006030 1Rh 3py -0.017554 -0.001176 0.003939 -0.000742 -0.003851 0.012315 1Rh 4pz 0.032105 0.001397 0.025678 0.015092 -0.021296 0.031367 1Rh 4px 0.002721 -0.000527 -0.078189 -0.036560 0.058716 0.009195 1Rh 4py 0.044097 0.002419 -0.008732 0.002419 0.008042 -0.020701 1Rh 5pz -0.039768 -0.002029 -0.036075 -0.026843 0.027872 -0.020210 1Rh 5px -0.003958 0.000831 0.110221 0.067099 -0.075555 -0.002590 1Rh 5py -0.054499 -0.002573 0.012931 -0.002232 -0.008959 0.012666 1Rh 6pz -0.031005 0.006924 0.144783 0.326957 -0.153868 0.359840 1Rh 6px 0.011163 0.000482 -0.359977 -0.942382 0.419066 0.127278 1Rh 6py -0.061718 -0.016959 -0.018296 -0.088694 0.047925 -0.232527 1Rh 1dz2 -0.001274 -0.002812 0.000432 0.000836 -0.000102 -0.000120 1Rh 1dxz 0.002824 -0.000035 0.000479 0.001052 -0.000143 0.000278 1Rh 1dyz -0.000351 -0.007902 0.000359 0.000408 -0.000084 0.000145 1Rh 1dx2y2 -0.000653 -0.001247 -0.000755 -0.001726 0.000171 0.000140 1Rh 1dxy 0.004111 -0.003004 -0.001023 -0.001139 0.000228 -0.000118 1Rh 2dz2 0.003488 0.007924 -0.001462 -0.002829 0.000164 0.000439 1Rh 2dxz -0.007810 0.000105 -0.001629 -0.003566 0.000240 -0.000918 1Rh 2dyz 0.000918 0.022262 -0.001200 -0.001369 0.000241 -0.000493 1Rh 2dx2y2 0.001814 0.003518 0.002559 0.005838 -0.000213 -0.000535 1Rh 2dxy -0.011373 0.008465 0.003430 0.003826 -0.000624 0.000388 1Rh 3dz2 -0.005262 -0.012960 0.002995 0.005881 0.000688 -0.001123 1Rh 3dxz 0.012222 -0.000232 0.003344 0.007420 0.000893 0.001805 1Rh 3dyz -0.001133 -0.036475 0.002412 0.002794 -0.000254 0.001053 1Rh 3dx2y2 -0.002879 -0.005792 -0.005223 -0.012095 -0.001648 0.001480 1Rh 3dxy 0.017812 -0.013868 -0.006950 -0.007818 0.000462 -0.000756 1Rh 4dz2 0.005269 0.015534 -0.004123 -0.010168 -0.005939 0.003158 1Rh 4dxz -0.014569 0.000789 -0.004257 -0.012682 -0.007948 -0.003200 1Rh 4dyz -0.000194 0.044783 -0.003724 -0.004708 -0.000692 -0.002168 1Rh 4dx2y2 0.003660 0.007313 0.006658 0.020606 0.012499 -0.004442 1Rh 4dxy -0.021279 0.016949 0.011054 0.013260 0.002963 0.001418 1Rh 5dz2 -0.002547 -0.004867 -0.006801 0.021891 0.015732 -0.009155 1Rh 5dxz 0.020538 -0.003405 -0.012387 0.025780 0.020627 0.013436 1Rh 5dyz 0.007878 -0.021103 0.002261 0.008818 0.003026 0.007800 1Rh 5dx2y2 -0.006478 -0.004626 0.018461 -0.041728 -0.032264 0.010979 1Rh 5dxy 0.029323 -0.007189 -0.008968 -0.026453 -0.009008 -0.007400 1Rh 1f0 -0.002380 -0.001439 -0.002215 -0.003877 -0.000621 -0.000076 1Rh 1f+1 -0.001881 0.001658 0.001619 0.003128 0.000542 -0.001306 1Rh 1f-1 -0.006990 -0.001965 0.000463 0.001049 -0.000003 -0.000262 1Rh 1f+2 0.002416 -0.001153 0.002940 0.005593 0.000489 0.000936 1Rh 1f-2 -0.003804 0.003704 0.000856 0.001938 0.000212 0.001009 1Rh 1f+3 0.000587 -0.000348 0.003360 0.006305 0.000865 -0.001371 1Rh 1f-3 -0.002202 -0.002268 0.001624 0.003103 0.000614 0.000625 2C 1s 0.038407 0.035874 -0.000587 -0.000292 -0.000670 -0.001120 2C 2s -0.048797 -0.046117 0.000961 0.000591 0.001312 0.002200 2C 3s 0.112901 0.118741 0.038571 -0.006644 -0.009035 -0.004415 2C 4s -0.927890 -0.848342 -0.239409 0.026003 0.040324 -0.025279 2C 5s 0.767683 0.381201 0.442872 -0.012790 -0.163309 0.081469 2C 1pz -0.006651 -0.002077 0.001975 0.000101 0.000702 -0.001260 2C 1px -0.006302 -0.004642 0.000828 -0.002042 -0.000437 -0.001745 2C 1py -0.004277 -0.001251 0.000844 -0.000474 0.000219 -0.001226 2C 2pz -0.498344 -0.440224 -0.113994 0.008240 0.008887 -0.020925 2C 2px -0.035080 -0.033506 -0.033680 -0.006622 -0.020077 -0.001409 2C 2py -0.337590 -0.296997 -0.073280 -0.000163 -0.003001 -0.014603 2C 3pz 0.175625 0.085641 0.090891 0.010651 0.004248 0.036508 2C 3px 0.093312 0.059437 0.031585 -0.011386 -0.073332 -0.028241 2C 3py 0.127650 0.056882 0.060123 0.000702 -0.024404 0.005512 2C 1dz2 -0.000426 -0.002573 -0.003067 0.000726 -0.001472 -0.001654 2C 1dxz 0.000694 -0.000521 -0.001734 -0.001568 0.001392 0.000955 2C 1dyz -0.007107 -0.007701 -0.004757 0.000384 0.000560 -0.000638 2C 1dx2y2 -0.002958 -0.001309 0.001769 0.000208 0.001645 0.001228 2C 1dxy -0.003912 -0.003675 -0.000873 -0.000963 0.001196 -0.000688 2C 2dz2 -0.073432 -0.065176 -0.026334 0.004111 0.012665 -0.000214 2C 2dxz -0.083939 -0.070367 -0.003689 -0.001413 -0.019149 -0.016805 2C 2dyz -0.055451 -0.056510 -0.042142 -0.000341 0.003125 -0.003142 2C 2dx2y2 0.083175 0.071120 0.006347 -0.003830 -0.003124 0.006908 2C 2dxy 0.001514 -0.000016 -0.007437 -0.000975 -0.013059 -0.003298 2C 1f0 0.011066 0.007296 -0.002550 0.001759 -0.001060 -0.001258 2C 1f+1 0.019806 0.012825 -0.002809 -0.001269 0.001757 -0.000223 2C 1f-1 0.054524 0.039400 -0.006946 0.001399 0.000119 -0.000501 2C 1f+2 -0.030336 -0.020897 0.005407 -0.001191 -0.000522 0.000731 2C 1f-2 0.012749 0.008430 -0.002726 -0.001510 0.002674 0.000507 2C 1f+3 0.012098 0.009294 0.000406 -0.001317 0.000635 -0.000237 2C 1f-3 0.012313 0.008124 -0.001650 0.000019 0.000004 -0.000696 3C 1s -0.011964 -0.036603 -0.000766 0.000114 -0.000751 -0.001209 3C 2s 0.015051 0.047097 0.001311 -0.000234 0.001483 0.002373 3C 3s -0.035559 -0.118305 0.036729 0.002642 -0.008760 -0.005212 3C 4s 0.332585 0.835565 -0.230947 -0.008337 0.029723 -0.024362 3C 5s -0.219463 -0.375423 0.428308 -0.009408 -0.104788 0.045081 3C 1pz 0.000329 -0.001186 0.000545 0.000739 0.000331 0.000074 3C 1px 0.002000 0.003442 0.000974 -0.001591 -0.000699 -0.001747 3C 1py -0.003013 -0.003136 -0.002159 -0.000603 0.000175 0.001720 3C 2pz 0.118254 0.285845 -0.059138 0.001911 0.004305 -0.015287 3C 2px 0.056277 0.129380 -0.044295 -0.011034 -0.020320 -0.026781 3C 2py -0.187005 -0.418433 0.116088 0.000401 -0.005588 0.017999 3C 3pz 0.017345 -0.024221 0.051563 -0.001857 0.017509 0.036085 3C 3px -0.031519 -0.055781 0.032415 -0.009928 -0.073940 -0.072446 3C 3py 0.089615 0.097228 -0.094492 -0.000211 -0.004584 -0.032462 3C 1dz2 -0.004557 -0.003417 0.000491 0.000671 -0.000338 -0.000220 3C 1dxz -0.000960 0.000572 -0.001965 -0.000888 -0.000654 -0.000403 3C 1dyz -0.002133 -0.007268 0.003953 -0.000549 0.000572 0.002146 3C 1dx2y2 0.000024 -0.000611 0.003462 -0.000731 0.001654 0.002763 3C 1dxy -0.000441 -0.003520 0.002568 0.001415 -0.002272 -0.002405 3C 2dz2 0.009831 0.002820 0.010008 0.000089 0.004701 0.004347 3C 2dxz 0.029575 0.058506 -0.010096 0.001827 -0.008449 -0.015408 3C 2dyz -0.015036 -0.030809 0.038482 0.001380 -0.011861 -0.009053 3C 2dx2y2 -0.035937 -0.092243 0.019888 -0.002928 -0.010593 -0.001535 3C 2dxy -0.026032 -0.060760 0.019800 0.003589 0.019416 0.027426 3C 1f0 0.012507 0.023064 0.002773 0.000234 -0.000396 -0.000412 3C 1f+1 -0.001583 -0.002770 -0.000838 -0.000253 0.000119 -0.000064 3C 1f-1 0.003945 0.008430 0.000294 -0.000817 0.000932 0.001045 3C 1f+2 0.012474 0.022539 0.005636 -0.001435 0.000680 0.001587 3C 1f-2 0.012217 0.021434 0.005240 0.001421 -0.002016 -0.001134 3C 1f+3 -0.012688 -0.023735 -0.004795 -0.001547 0.001712 0.000603 3C 1f-3 0.008428 0.015846 0.002462 -0.001698 0.001654 0.003232 4C 1s -0.929671 -0.706469 -0.002747 0.000383 0.000012 -0.003455 4C 2s 1.244352 0.947502 0.005669 -0.000768 -0.000060 0.007344 4C 3s -1.255324 -0.999248 -0.063026 0.013076 -0.001809 -0.004581 4C 4s -0.027145 0.156016 0.188310 -0.063038 0.009234 -0.047347 4C 5s -0.996829 -0.984794 -0.218004 0.021163 0.062205 -0.026115 4C 1pz -0.001835 -0.002932 0.006671 0.003468 0.005630 0.004655 4C 1px 0.001804 0.000563 -0.000052 -0.008072 -0.018305 -0.013927 4C 1py -0.005041 -0.003330 0.003484 -0.001430 -0.003606 -0.002436 4C 2pz -1.092369 -0.847248 -0.110017 -0.023488 0.223842 0.036510 4C 2px -0.199872 -0.145437 -0.036258 0.045395 -0.661904 -0.288311 4C 2py -0.716391 -0.558871 -0.076543 0.005000 -0.113728 -0.086575 4C 3pz 0.273653 -0.149294 0.233626 0.003324 -0.113453 0.038976 4C 3px 0.056658 -0.032132 0.020999 0.078057 0.196184 0.097034 4C 3py 0.161240 -0.103680 0.150510 0.037316 0.001163 0.060841 4C 1dz2 0.029162 0.020198 -0.002721 -0.002227 0.018794 0.009609 4C 1dxz 0.098349 0.070040 -0.003195 0.004097 -0.032717 -0.011927 4C 1dyz -0.080338 -0.058566 -0.005363 -0.001187 0.001182 -0.000815 4C 1dx2y2 -0.164950 -0.117511 0.002758 -0.000882 -0.001793 -0.005067 4C 1dxy -0.095875 -0.068998 -0.000677 0.002483 -0.024362 -0.017611 4C 2dz2 0.327977 0.273551 0.044943 0.016952 0.137375 0.080631 4C 2dxz 0.354438 0.297026 0.015685 -0.021668 -0.241850 -0.086120 4C 2dyz 0.229958 0.196317 0.075465 0.000625 0.006029 0.010795 4C 2dx2y2 -0.489444 -0.403617 -0.016909 -0.005296 -0.013854 -0.040485 4C 2dxy -0.118994 -0.093128 0.013530 -0.023333 -0.180797 -0.075031 4C 1f0 0.059956 0.044089 -0.003023 -0.001026 -0.000058 0.001380 4C 1f+1 0.138225 0.101729 -0.007796 0.002696 -0.005292 -0.000312 4C 1f-1 -0.005367 -0.009080 -0.007473 0.001599 0.015107 0.005582 4C 1f+2 -0.104679 -0.076289 0.007962 0.001071 0.020878 0.007247 4C 1f-2 -0.003821 -0.004303 -0.004161 0.000559 -0.022478 -0.010639 4C 1f+3 -0.017135 -0.014184 -0.000820 0.002744 0.018465 0.006792 4C 1f-3 0.121766 0.090418 -0.005097 0.003857 0.024414 0.012632 5C 1s 0.350774 0.697939 -0.002465 -0.000422 -0.000582 -0.003726 5C 2s -0.469508 -0.936047 0.005088 0.000866 0.001273 0.007974 5C 3s 0.469690 0.988357 -0.065712 -0.009162 0.001889 -0.003363 5C 4s 0.032657 -0.161104 0.210945 0.036928 -0.030523 -0.068689 5C 5s 0.356752 0.979743 -0.189756 -0.017707 0.056796 -0.016585 5C 1pz -0.004072 0.003602 0.003231 0.002102 0.006095 0.010779 5C 1px -0.000372 0.002168 0.003037 -0.008424 -0.018750 -0.033725 5C 1py -0.004599 -0.002449 -0.005962 -0.001245 -0.002909 -0.006363 5C 2pz 0.265622 0.493273 -0.062939 -0.006976 0.210203 0.179105 5C 2px 0.163672 0.300455 -0.033742 0.037455 -0.666799 -0.691581 5C 2py -0.393652 -0.825728 0.106828 0.002465 -0.118220 -0.061122 5C 3pz -0.101294 0.092095 0.140629 -0.026252 -0.078370 -0.039595 5C 3px -0.037323 0.056530 0.091860 0.056604 0.198524 0.226213 5C 3py 0.037958 -0.157923 -0.237986 0.035062 0.054098 -0.006370 5C 1dz2 -0.043808 -0.083021 -0.000667 -0.001494 0.012642 0.017287 5C 1dxz -0.035741 -0.067212 -0.002260 0.001527 -0.016080 -0.015457 5C 1dyz -0.044116 -0.082343 0.004176 0.000990 -0.014174 -0.013690 5C 1dx2y2 0.049653 0.091045 0.004936 0.002278 -0.020083 -0.027391 5C 1dxy 0.005350 0.009977 0.003298 -0.003311 0.032057 0.038054 5C 2dz2 -0.065035 -0.137178 -0.020002 0.007499 0.087840 0.103500 5C 2dxz -0.133125 -0.288211 0.018109 -0.017768 -0.121071 -0.108735 5C 2dyz 0.035699 0.084792 -0.066145 -0.013746 -0.107848 -0.117488 5C 2dx2y2 0.214798 0.445765 -0.033627 -0.013741 -0.146547 -0.182454 5C 2dxy 0.103241 0.227676 -0.043200 0.029334 0.234894 0.224755 5C 1f0 -0.026826 -0.054571 0.001735 -0.002501 -0.019125 -0.017199 5C 1f+1 -0.038349 -0.071405 -0.004380 0.001855 0.020526 0.022670 5C 1f-1 0.002375 0.003177 0.001272 -0.000181 -0.012325 -0.013426 5C 1f+2 -0.000672 -0.005886 0.005930 0.002635 0.004083 0.003627 5C 1f-2 0.033490 0.062728 0.007820 0.003165 0.031508 0.032339 5C 1f+3 -0.038159 -0.071407 -0.008286 0.001820 0.011310 0.010801 5C 1f-3 0.048121 0.093322 0.008613 0.002689 -0.008038 -0.011748 6C 1s -0.339463 0.698652 -0.002466 0.000448 0.000614 -0.003763 6C 2s 0.454367 -0.937002 0.005089 -0.000919 -0.001340 0.008054 6C 3s -0.454508 0.989318 -0.065551 0.008774 -0.001779 -0.003252 6C 4s -0.031486 -0.161092 0.209972 -0.034086 0.030738 -0.070312 6C 5s -0.345044 0.980082 -0.189511 0.018512 -0.057953 -0.014908 6C 1pz -0.004140 -0.003558 -0.003223 0.002125 0.006047 -0.010821 6C 1px -0.000389 -0.002187 -0.002983 -0.008487 -0.018621 0.033844 6C 1py -0.004560 0.002448 0.005962 -0.001254 -0.002872 0.006362 6C 2pz 0.257715 -0.493845 0.063180 -0.007209 0.209514 -0.179886 6C 2px 0.158561 -0.300734 0.032793 0.036634 -0.664580 0.694465 6C 2py -0.380491 0.826700 -0.107014 0.003023 -0.117436 0.061038 6C 3pz -0.098915 -0.091571 -0.139143 -0.028043 -0.077917 0.040613 6C 3px -0.036132 -0.056526 -0.092065 0.056653 0.197787 -0.228593 6C 3py 0.034893 0.157280 0.236028 0.037558 0.053527 0.006178 6C 1dz2 0.042354 -0.083068 -0.000676 0.001452 -0.012639 0.017407 6C 1dxz 0.034612 -0.067339 -0.002249 -0.001560 0.015991 -0.015475 6C 1dyz 0.042678 -0.082408 0.004175 -0.000994 0.014085 -0.013735 6C 1dx2y2 -0.048050 0.091160 0.004969 -0.002217 0.020034 -0.027525 6C 1dxy -0.005132 0.009908 0.003269 0.003270 -0.031917 0.038221 6C 2dz2 0.062814 -0.137169 -0.019963 -0.007970 -0.087605 0.104063 6C 2dxz 0.128882 -0.288811 0.018299 0.017687 0.120392 -0.108978 6C 2dyz -0.034408 0.084805 -0.065933 0.013671 0.107518 -0.117880 6C 2dx2y2 -0.208029 0.446126 -0.033721 0.014463 0.146112 -0.183370 6C 2dxy -0.099949 0.228008 -0.043434 -0.029475 -0.234040 0.225634 6C 1f0 -0.025945 0.054575 -0.001773 -0.002471 -0.019075 0.017281 6C 1f+1 -0.037174 0.071509 0.004380 0.001933 0.020436 -0.022760 6C 1f-1 0.002295 -0.003161 -0.001278 -0.000211 -0.012293 0.013499 6C 1f+2 -0.000650 0.005937 -0.005908 0.002622 0.004105 -0.003658 6C 1f-2 0.032427 -0.062832 -0.007774 0.003146 0.031388 -0.032450 6C 1f+3 -0.036905 0.071440 0.008274 0.001898 0.011263 -0.010867 6C 1f-3 0.046523 -0.093405 -0.008583 0.002582 -0.008019 0.011837 7C 1s 0.935285 -0.710420 -0.002722 -0.000395 0.000025 -0.003406 7C 2s -1.251865 0.952799 0.005616 0.000793 -0.000016 0.007240 7C 3s 1.262357 -1.004541 -0.062606 -0.012876 0.001718 -0.004582 7C 4s 0.030387 0.155408 0.186544 0.061492 -0.007888 -0.046388 7C 5s 0.998956 -0.988466 -0.218323 -0.022756 -0.063045 -0.026135 7C 1pz -0.001896 0.002988 -0.006661 0.003481 0.005594 -0.004664 7C 1px 0.001773 -0.000550 0.000052 -0.008178 -0.018206 0.013908 7C 1py -0.004901 0.003209 -0.003547 -0.001453 -0.003587 0.002408 7C 2pz -1.098104 0.850891 0.109611 -0.022707 0.222584 -0.037717 7C 2px -0.199040 0.144795 0.037314 0.045689 -0.660389 0.290206 7C 2py -0.724094 0.564513 0.077409 0.005537 -0.113578 0.086659 7C 3pz 0.275054 0.148917 -0.233158 0.004607 -0.113921 -0.036971 7C 3px 0.056930 0.031586 -0.019895 0.078828 0.196013 -0.097552 7C 3py 0.163258 0.103060 -0.150806 0.038457 0.000550 -0.059767 7C 1dz2 -0.029870 0.020734 -0.002705 0.002219 -0.018707 0.009625 7C 1dxz -0.099159 0.070592 -0.003242 -0.004077 0.032549 -0.012039 7C 1dyz 0.081177 -0.059154 -0.005363 0.001166 -0.001171 -0.000768 7C 1dx2y2 0.165780 -0.118013 0.002754 0.000848 0.001801 -0.004958 7C 1dxy 0.096375 -0.069314 -0.000708 -0.002456 0.024373 -0.017666 7C 2dz2 -0.329232 0.274189 0.044948 -0.016762 -0.136866 0.080663 7C 2dxz -0.356461 0.298285 0.015403 0.022123 0.240777 -0.087024 7C 2dyz -0.232039 0.197934 0.075598 -0.000461 -0.006339 0.010851 7C 2dx2y2 0.493711 -0.406794 -0.017266 0.004881 0.013859 -0.040097 7C 2dxy 0.119570 -0.093536 0.013167 0.023147 0.181027 -0.075616 7C 1f0 0.060637 -0.044587 0.002966 -0.001024 -0.000136 -0.001346 7C 1f+1 0.138985 -0.102240 0.007704 0.002616 -0.005142 0.000315 7C 1f-1 -0.005380 0.009104 0.007427 0.001622 0.015109 -0.005650 7C 1f+2 -0.105138 0.076533 -0.007993 0.001094 0.020826 -0.007360 7C 1f-2 -0.003447 0.004046 0.004178 0.000538 -0.022495 0.010732 7C 1f+3 -0.017516 0.014445 0.000793 0.002741 0.018344 -0.006816 7C 1f-3 0.122773 -0.091079 0.005033 0.003810 0.024338 -0.012643 8C 1s 0.011502 -0.036596 -0.000765 -0.000109 0.000774 -0.001233 8C 2s -0.014465 0.047086 0.001309 0.000223 -0.001527 0.002420 8C 3s 0.034279 -0.118400 0.036669 -0.002574 0.008969 -0.005466 8C 4s -0.321697 0.836473 -0.230636 0.008284 -0.030209 -0.023734 8C 5s 0.210918 -0.376147 0.425608 0.012246 0.106023 0.043164 8C 1pz 0.000321 0.001174 -0.000558 0.000744 0.000324 -0.000075 8C 1px 0.001971 -0.003525 -0.000978 -0.001595 -0.000707 0.001789 8C 1py -0.002906 0.003099 0.002160 -0.000595 0.000190 -0.001739 8C 2pz 0.114208 -0.285893 0.059253 0.001829 0.004177 0.015499 8C 2px 0.054033 -0.128603 0.044409 -0.011097 -0.020154 0.026452 8C 2py -0.181277 0.419395 -0.115945 0.000359 -0.005463 -0.018057 8C 3pz 0.017785 0.024349 -0.051360 -0.002114 0.017433 -0.036372 8C 3px -0.030682 0.056760 -0.032152 -0.010243 -0.073592 0.073064 8C 3py 0.086937 -0.097076 0.093928 0.000279 -0.004556 0.032388 8C 1dz2 0.004501 -0.003438 0.000483 -0.000666 0.000352 -0.000250 8C 1dxz 0.000916 0.000574 -0.001967 0.000884 0.000647 -0.000401 8C 1dyz 0.002037 -0.007268 0.003946 0.000549 -0.000573 0.002146 8C 1dx2y2 0.000003 -0.000603 0.003464 0.000727 -0.001663 0.002789 8C 1dxy 0.000409 -0.003546 0.002567 -0.001416 0.002237 -0.002386 8C 2dz2 -0.009842 0.003033 0.010007 -0.000112 -0.004666 0.004329 8C 2dxz -0.028861 0.058875 -0.010073 -0.001780 0.008492 -0.015639 8C 2dyz 0.014604 -0.030775 0.038416 -0.001304 0.011904 -0.009315 8C 2dx2y2 0.034549 -0.092150 0.019947 0.002955 0.010497 -0.001515 8C 2dxy 0.025298 -0.061035 0.019780 -0.003584 -0.019385 0.027575 8C 1f0 0.012136 -0.023113 -0.002766 0.000210 -0.000389 0.000412 8C 1f+1 -0.001570 0.002855 0.000816 -0.000256 0.000111 0.000069 8C 1f-1 0.003793 -0.008402 -0.000293 -0.000821 0.000923 -0.001046 8C 1f+2 0.012079 -0.022587 -0.005613 -0.001445 0.000650 -0.001567 8C 1f-2 0.011788 -0.021347 -0.005246 0.001414 -0.002021 0.001163 8C 1f+3 -0.012273 0.023793 0.004780 -0.001548 0.001700 -0.000599 8C 1f-3 0.008160 -0.015860 -0.002462 -0.001695 0.001641 -0.003212 9C 1s -0.038415 0.035894 -0.000579 0.000303 0.000694 -0.001108 9C 2s 0.048797 -0.046136 0.000946 -0.000612 -0.001359 0.002175 9C 3s -0.113186 0.119091 0.038567 0.006802 0.009259 -0.004343 9C 4s 0.932884 -0.852513 -0.239221 -0.026881 -0.040741 -0.024999 9C 5s -0.768818 0.382912 0.442415 0.012733 0.165816 0.078972 9C 1pz -0.006595 0.002029 -0.001960 0.000100 0.000689 0.001211 9C 1px -0.006373 0.004711 -0.000834 -0.002057 -0.000443 0.001692 9C 1py -0.004444 0.001373 -0.000886 -0.000492 0.000210 0.001227 9C 2pz -0.501737 0.442788 0.113548 0.008591 0.008656 0.020950 9C 2px -0.033943 0.032485 0.033671 -0.006512 -0.019942 0.001606 9C 2py -0.339634 0.298399 0.073975 0.000217 -0.003033 0.014398 9C 3pz 0.174665 -0.085436 -0.090472 0.010790 0.003960 -0.035984 9C 3px 0.094199 -0.060199 -0.031771 -0.011436 -0.073149 0.028424 9C 3py 0.130080 -0.058290 -0.060506 0.000813 -0.024452 -0.005371 9C 1dz2 0.000399 -0.002570 -0.003052 -0.000737 0.001458 -0.001640 9C 1dxz -0.000693 -0.000538 -0.001728 0.001573 -0.001343 0.000951 9C 1dyz 0.007155 -0.007733 -0.004754 -0.000397 -0.000526 -0.000646 9C 1dx2y2 0.002994 -0.001322 0.001783 -0.000205 -0.001623 0.001239 9C 1dxy 0.003953 -0.003714 -0.000874 0.000957 -0.001259 -0.000623 9C 2dz2 0.072886 -0.064593 -0.026185 -0.004169 -0.012570 -0.000099 9C 2dxz 0.084557 -0.070702 -0.003468 0.001238 0.019160 -0.016824 9C 2dyz 0.056322 -0.057226 -0.042293 0.000182 -0.003237 -0.003136 9C 2dx2y2 -0.084526 0.072230 0.006440 0.003861 0.002958 0.006890 9C 2dxy -0.001501 -0.000071 -0.007400 0.001135 0.013163 -0.003471 9C 1f0 0.010864 -0.007161 0.002502 0.001751 -0.001045 0.001238 9C 1f+1 0.019670 -0.012711 0.002797 -0.001246 0.001739 0.000181 9C 1f-1 0.054913 -0.039663 0.006929 0.001412 0.000133 0.000509 9C 1f+2 -0.030572 0.021028 -0.005470 -0.001208 -0.000556 -0.000724 9C 1f-2 0.012795 -0.008451 0.002680 -0.001516 0.002661 -0.000506 9C 1f+3 0.012055 -0.009267 -0.000403 -0.001310 0.000631 0.000240 9C 1f-3 0.012777 -0.008471 0.001640 0.000008 -0.000012 0.000706 10H 1s -0.018370 -0.012618 0.003482 -0.002128 0.000038 -0.000571 10H 2s -0.076883 -0.066267 0.007631 0.008731 -0.008749 -0.017117 10H 3s -0.060822 -0.042523 -0.040922 0.001596 0.048999 0.013709 10H 1pz 0.010433 0.007232 0.003806 0.000595 -0.002512 -0.002246 10H 1px 0.034393 0.026610 -0.003475 0.000191 0.003110 0.003074 10H 1py 0.007984 0.005527 0.002114 0.000368 -0.000795 -0.001814 11H 1s 0.007731 0.006825 0.001021 0.000308 -0.001211 0.001621 11H 2s 0.058145 0.045654 -0.011778 -0.002968 0.005715 0.004254 11H 3s -0.011260 -0.008422 -0.022082 0.010086 0.015209 -0.002615 11H 1pz 0.018211 0.014917 0.002654 0.000066 0.001238 0.001496 11H 1px 0.007493 0.006245 -0.000416 -0.000983 -0.000224 0.000897 11H 1py 0.023109 0.017919 0.001986 0.000314 0.000605 0.000443 12H 1s -0.001268 0.000231 0.001982 0.000964 -0.001857 -0.001006 12H 2s 0.026083 0.018501 -0.008049 -0.008648 0.006287 0.005117 12H 3s -0.016861 -0.015584 -0.027251 0.013115 0.007881 -0.013787 12H 1pz 0.032019 0.024600 0.002338 0.000366 0.001360 0.001389 12H 1px 0.011469 0.009228 -0.000151 -0.000838 0.000635 0.001947 12H 1py 0.001801 0.002048 0.002458 -0.001338 0.000830 0.001383 13H 1s 0.006534 0.011473 0.002980 -0.001810 0.000031 -0.000672 13H 2s 0.023197 0.057803 0.002033 0.012396 -0.009926 -0.017809 13H 3s 0.020949 0.039246 -0.028114 -0.011147 0.042862 0.029028 13H 1pz 0.003781 0.008619 0.003345 0.001083 -0.002656 -0.004020 13H 1px -0.010254 -0.022093 -0.000993 -0.000747 0.002296 0.002712 13H 1py 0.007368 0.013975 -0.002555 -0.000825 0.001808 0.002237 14H 1s 0.001889 0.002257 0.002007 0.001412 -0.001864 -0.000297 14H 2s -0.007386 -0.005529 -0.001378 -0.007540 0.005727 -0.000575 14H 3s 0.015184 0.022619 -0.030432 0.005449 -0.000789 -0.012986 14H 1pz 0.000410 0.001452 0.003098 -0.000444 0.000277 -0.000496 14H 1px -0.002279 -0.002791 0.001996 -0.000732 0.001308 0.001983 14H 1py 0.012326 0.025936 -0.001652 0.000114 -0.001439 -0.002183 15H 1s -0.003181 -0.008101 0.000608 0.000508 -0.000484 0.000968 15H 2s -0.015369 -0.047755 -0.010735 -0.003014 0.006199 0.008031 15H 3s -0.031955 0.005811 -0.021254 0.003892 0.010813 -0.006646 15H 1pz -0.008775 -0.013131 0.002195 0.000452 0.000487 0.000380 15H 1px -0.004780 -0.010702 0.000609 -0.000580 -0.000176 0.000816 15H 1py 0.005421 0.015323 -0.002625 0.000007 -0.001381 -0.002279 16H 1s -0.000470 -0.003193 -0.069588 0.069463 -0.006463 0.000098 16H 2s 0.016510 0.030826 -0.044736 0.026999 0.016518 0.004587 16H 3s -0.001909 0.005356 0.084316 -0.061481 -0.005619 -0.010291 16H 1pz 0.005279 0.007139 -0.070424 0.069160 -0.001951 0.001641 16H 1px -0.002847 -0.004713 -0.001271 0.001156 -0.001004 0.001650 16H 1py 0.001184 0.003009 -0.038481 0.038978 -0.003225 0.000226 17H 1s -0.000386 0.002450 -0.069539 0.069564 -0.006614 0.000657 17H 2s 0.012155 -0.025565 -0.049193 0.029672 0.013839 -0.015872 17H 3s -0.000224 -0.004824 0.081954 -0.058450 -0.003684 0.013086 17H 1pz -0.001176 0.001590 0.047398 -0.045973 0.001963 0.004735 17H 1px -0.002980 0.007069 0.042647 -0.041761 0.001378 0.000183 17H 1py 0.001301 -0.003847 -0.050148 0.050228 -0.004214 -0.001899 18H 1s 0.000382 0.002330 -0.069474 -0.069668 0.006590 0.000424 18H 2s -0.012185 -0.024338 -0.049334 -0.030252 -0.013377 -0.013261 18H 3s 0.000525 -0.004686 0.081765 0.058407 0.003718 0.013446 18H 1pz -0.001229 -0.001553 -0.048641 -0.047346 0.002027 -0.004495 18H 1px -0.002946 -0.006828 -0.042827 -0.042145 0.001529 0.000363 18H 1py 0.001191 0.003644 0.048735 0.049016 -0.004217 0.001622 19H 1s 0.000433 -0.003258 -0.069511 -0.069552 0.006420 -0.000070 19H 2s -0.016509 0.031561 -0.044445 -0.026779 -0.016601 0.007144 19H 3s 0.002168 0.005443 0.084468 0.061783 0.005523 -0.009644 19H 1pz 0.005241 -0.007229 0.069411 0.068333 -0.001901 -0.002275 19H 1px -0.002878 0.004797 0.000718 0.000627 -0.001048 -0.001357 19H 1py 0.001339 -0.003148 0.039956 0.040475 -0.003147 -0.000379 20H 1s 0.003038 -0.008044 0.000615 -0.000518 0.000495 0.000961 20H 2s 0.014685 -0.047620 -0.010588 0.002918 -0.006328 0.008363 20H 3s 0.031560 0.005807 -0.021139 -0.004194 -0.010951 -0.006681 20H 1pz -0.008567 0.013207 -0.002177 0.000447 0.000489 -0.000372 20H 1px -0.004648 0.010812 -0.000592 -0.000567 -0.000136 -0.000885 20H 1py 0.005217 -0.015307 0.002651 -0.000017 -0.001397 0.002339 21H 1s -0.001737 0.002086 0.001985 -0.001397 0.001870 -0.000296 21H 2s 0.007715 -0.006507 -0.001524 0.007461 -0.005732 -0.000280 21H 3s -0.014816 0.022288 -0.030095 -0.005659 0.000285 -0.012699 21H 1pz 0.000346 -0.001393 -0.003084 -0.000450 0.000267 0.000484 21H 1px -0.002379 0.003075 -0.001945 -0.000721 0.001295 -0.002031 21H 1py 0.011880 -0.025924 0.001671 0.000098 -0.001450 0.002215 22H 1s -0.006370 0.011574 0.002974 0.001836 -0.000000 -0.000709 22H 2s -0.022766 0.058485 0.002037 -0.012420 0.010103 -0.018414 22H 3s -0.020249 0.039590 -0.027929 0.010972 -0.043184 0.029873 22H 1pz 0.003622 -0.008528 -0.003309 0.001072 -0.002678 0.004103 22H 1px -0.010023 0.022336 0.001014 -0.000752 0.002337 -0.002814 22H 1py 0.007021 -0.013745 0.002553 -0.000828 0.001821 -0.002328 23H 1s 0.000871 0.000535 0.001941 -0.000929 0.001839 -0.000992 23H 2s -0.028140 0.020401 -0.008297 0.008338 -0.006328 0.005348 23H 3s 0.015679 -0.015161 -0.027023 -0.013145 -0.008693 -0.013542 23H 1pz 0.031977 -0.024565 -0.002364 0.000390 0.001372 -0.001379 23H 1px 0.011804 -0.009502 0.000198 -0.000816 0.000619 -0.001924 23H 1py 0.002326 -0.002544 -0.002401 -0.001296 0.000828 -0.001415 24H 1s -0.007461 0.006627 0.001040 -0.000317 0.001246 0.001592 24H 2s -0.057907 0.045274 -0.011780 0.003078 -0.005897 0.004130 24H 3s 0.011201 -0.008340 -0.022001 -0.010320 -0.015264 -0.002503 24H 1pz 0.018162 -0.014856 -0.002664 0.000062 0.001249 -0.001453 24H 1px 0.007515 -0.006251 0.000443 -0.000989 -0.000166 -0.000933 24H 1py 0.023639 -0.018326 -0.001965 0.000317 0.000640 -0.000492 25H 1s 0.018649 -0.012802 0.003518 0.002155 -0.000000 -0.000567 25H 2s 0.078194 -0.067332 0.007756 -0.008855 0.008939 -0.017196 25H 3s 0.061337 -0.042891 -0.041087 -0.001674 -0.049445 0.014015 25H 1pz 0.009980 -0.006868 -0.003842 0.000595 -0.002541 0.002284 25H 1px 0.034641 -0.026787 0.003499 0.000185 0.003151 -0.003091 25H 1py 0.008668 -0.006053 -0.002057 0.000378 -0.000776 0.001743 26O 1s 0.015203 0.010241 -0.037746 -0.035853 -0.488411 -0.333154 26O 2s 0.002240 0.001750 0.046273 0.044099 0.604021 0.412652 26O 3s -0.302772 -0.212942 -0.043106 -0.044982 -0.649961 -0.444562 26O 4s 0.926667 0.637455 0.055852 0.066458 0.979862 0.655459 26O 5s 0.356230 0.526165 -0.079948 -0.048405 -0.202650 -0.261836 26O 1pz 0.010338 0.007179 0.000877 0.000146 0.001158 0.000212 26O 1px 0.078796 0.059857 0.000779 0.001706 0.028622 0.017416 26O 1py 0.035378 0.026902 0.000485 0.000542 0.011842 0.006457 26O 2pz -0.089688 -0.069952 -0.002410 -0.002671 -0.009296 -0.003664 26O 2px -0.614590 -0.462404 0.008386 -0.025210 -0.241126 -0.135135 26O 2py -0.284445 -0.216091 0.002596 -0.009215 -0.098124 -0.052068 26O 3pz -0.106506 -0.041334 -0.040551 0.047447 0.015177 -0.019595 26O 3px -0.128319 -0.124742 -0.060298 0.145446 -0.146245 -0.034549 26O 3py -0.110871 -0.075317 -0.045789 0.074003 -0.039849 -0.081052 26O 1dz2 0.013383 0.009777 0.000644 0.000199 0.006328 0.004223 26O 1dxz -0.009190 -0.007893 0.001213 -0.003461 -0.000449 -0.002134 26O 1dyz 0.003492 0.002196 0.000336 0.000218 0.004321 0.002528 26O 1dx2y2 -0.008073 -0.005903 -0.000872 0.000653 -0.004550 -0.003538 26O 1dxy -0.013292 -0.010061 -0.000158 -0.001356 -0.003070 -0.002643 26O 2dz2 -0.169660 -0.124690 0.000539 -0.001536 -0.048793 -0.027473 26O 2dxz 0.075594 0.061091 -0.001678 0.010219 0.005456 0.009735 26O 2dyz 0.011430 0.011173 -0.000614 0.000503 -0.010769 -0.006209 26O 2dx2y2 0.175893 0.129146 -0.001415 -0.000079 0.051354 0.030846 26O 2dxy 0.212894 0.159256 -0.001698 0.005658 0.045896 0.029905 26O 1f0 0.019449 0.015183 0.000712 -0.000843 0.002526 0.001062 26O 1f+1 0.069575 0.051465 -0.000221 0.000472 0.009300 0.005962 26O 1f-1 0.033955 0.025766 0.000602 -0.000223 0.003384 0.002592 26O 1f+2 -0.022733 -0.017513 -0.000963 0.000424 -0.004562 -0.001783 26O 1f-2 -0.012213 -0.009626 -0.000224 0.001455 0.000108 -0.000299 26O 1f+3 0.028651 0.021015 -0.000515 0.000548 0.002399 0.001428 26O 1f-3 0.090233 0.067030 0.000191 -0.000837 0.009862 0.006562 27O 1s -0.005845 -0.010096 -0.005035 -0.047671 -0.506672 -0.710881 27O 2s -0.000852 -0.001743 0.006175 0.058607 0.626590 0.880491 27O 3s 0.116506 0.210890 -0.003742 -0.057625 -0.673981 -0.949574 27O 4s -0.358775 -0.632651 0.004713 0.081021 1.012482 1.410688 27O 5s -0.149811 -0.531122 -0.079072 -0.102694 -0.192703 -0.543493 27O 1pz -0.000104 0.002677 0.000716 -0.000346 -0.002422 -0.004308 27O 1px -0.032495 -0.063516 -0.001123 0.001782 0.031991 0.038047 27O 1py 0.006469 0.013915 -0.000282 -0.001053 -0.004866 -0.004131 27O 2pz -0.004513 -0.012514 -0.004168 0.003017 0.022156 0.032835 27O 2px 0.256472 0.496175 0.022161 -0.020060 -0.267374 -0.307821 27O 2py -0.061060 -0.123868 -0.001878 0.006396 0.041439 0.038752 27O 3pz 0.021186 0.009733 -0.010416 -0.003906 0.034996 -0.015567 27O 3px 0.070792 0.135993 -0.044014 0.150716 -0.147071 -0.138409 27O 3py -0.048080 -0.055593 0.040170 -0.059870 0.004795 0.099006 27O 1dz2 -0.002835 -0.005741 -0.000119 0.000786 0.002238 0.003622 27O 1dxz 0.000051 0.002426 0.000268 -0.001306 0.001369 0.000654 27O 1dyz 0.002937 0.005703 -0.000199 -0.001181 -0.004845 -0.007683 27O 1dx2y2 0.006337 0.012020 -0.000535 -0.000114 -0.008149 -0.012017 27O 1dxy -0.004775 -0.008967 -0.000655 0.002236 0.000773 0.002349 27O 2dz2 0.060271 0.116342 0.003870 -0.002061 -0.037962 -0.046132 27O 2dxz 0.007032 0.004251 0.002082 0.003488 -0.013080 -0.012080 27O 2dyz -0.010610 -0.019246 0.000593 0.002802 0.015266 0.023016 27O 2dx2y2 -0.099115 -0.189397 -0.005269 -0.000141 0.075769 0.094630 27O 2dxy 0.054001 0.104072 0.001147 -0.006008 -0.020076 -0.028127 27O 1f0 0.004352 0.006991 0.000420 -0.000553 0.000043 -0.001154 27O 1f+1 -0.026936 -0.052512 -0.000253 -0.000828 0.008302 0.010500 27O 1f-1 0.005709 0.011456 -0.000147 0.000525 -0.001211 -0.001561 27O 1f+2 -0.002725 -0.003306 -0.000769 0.000202 0.000599 0.000944 27O 1f-2 0.005448 0.009933 -0.000265 -0.000596 -0.004156 -0.004909 27O 1f+3 -0.030521 -0.060026 -0.001012 0.000271 0.010264 0.013300 27O 1f-3 0.023510 0.045111 -0.000789 0.001404 -0.007549 -0.008802 28O 1s 0.015019 0.010330 -0.001664 0.044491 0.489014 0.196121 28O 2s 0.002312 0.001789 0.002048 -0.054681 -0.604757 -0.242908 28O 3s -0.303882 -0.216773 -0.000180 0.053019 0.651847 0.263090 28O 4s 0.943797 0.659728 0.001396 -0.075125 -0.985776 -0.402690 28O 5s 0.375908 0.556049 -0.057715 0.126874 0.176603 0.168375 28O 1pz 0.055521 0.041305 0.000268 -0.001231 -0.018685 -0.004606 28O 1px -0.067599 -0.052065 0.001578 0.001020 0.025664 0.007696 28O 1py 0.007671 0.005440 0.000234 -0.000874 -0.001600 0.000403 28O 2pz -0.449093 -0.341598 0.008015 0.010722 0.158705 0.044661 28O 2px 0.526130 0.400020 -0.018760 -0.012380 -0.216540 -0.072232 28O 2py -0.072417 -0.055805 -0.000527 0.004179 0.014019 -0.001338 28O 3pz -0.208891 -0.138508 -0.041361 -0.120486 0.071192 0.018334 28O 3px 0.076601 0.103392 0.033116 0.120601 -0.129767 -0.049532 28O 3py -0.092711 -0.041623 -0.021938 -0.041306 -0.002967 0.048481 28O 1dz2 -0.003222 -0.003609 0.000638 0.001127 -0.001401 -0.000438 28O 1dxz 0.020150 0.015469 0.000029 -0.001182 -0.007140 -0.002930 28O 1dyz 0.003535 0.001700 0.000451 0.000353 -0.004239 -0.003230 28O 1dx2y2 -0.006668 -0.004418 -0.000621 -0.001337 0.003873 0.001277 28O 1dxy 0.009377 0.007294 -0.000395 -0.001725 -0.002750 -0.001134 28O 2dz2 0.040531 0.036019 -0.000037 -0.002930 0.001713 0.001488 28O 2dxz -0.290393 -0.218262 0.004615 0.001168 0.073387 0.024033 28O 2dyz 0.019413 0.019042 -0.000350 -0.000964 0.008119 0.009050 28O 2dx2y2 0.154203 0.112224 -0.003371 0.004745 -0.046337 -0.017225 28O 2dxy -0.064406 -0.049490 -0.000364 0.004069 0.013092 0.005114 28O 1f0 0.041163 0.030258 -0.000444 -0.000031 -0.005463 -0.002313 28O 1f+1 0.060236 0.045753 0.000530 0.001414 -0.007741 -0.001745 28O 1f-1 0.001219 0.001392 -0.000013 -0.001124 -0.001275 -0.001130 28O 1f+2 -0.090235 -0.067218 0.000511 -0.000560 0.010490 0.003243 28O 1f-2 0.020937 0.016042 0.000764 0.001051 -0.001129 -0.000420 28O 1f+3 -0.039395 -0.028830 0.000958 -0.000047 0.003919 0.000658 28O 1f-3 0.021442 0.016102 0.000688 0.000408 -0.004648 -0.002162 29O 1s 0.000123 0.000114 -0.976970 0.981010 -0.080157 0.003492 29O 2s -0.000064 -0.000022 1.197922 -1.207243 0.099197 -0.004309 29O 3s 0.001287 -0.000787 -1.170186 1.215342 -0.108145 0.003538 29O 4s -0.003296 0.002528 1.405984 -1.535363 0.185467 -0.001079 29O 5s -0.019355 -0.007145 -0.847923 1.094056 -0.289152 -0.001815 29O 1pz -0.000707 0.000074 0.004123 -0.001556 0.001339 -0.001029 29O 1px 0.000369 0.000057 -0.005954 -0.000553 -0.005034 -0.001594 29O 1py -0.000793 0.000057 0.019352 -0.018223 -0.000643 0.000307 29O 2pz 0.005383 0.009083 -0.028078 0.017465 -0.001749 0.004564 29O 2px -0.003216 0.002842 0.046033 -0.017927 0.011058 0.006433 29O 2py 0.006342 -0.000597 -0.119529 0.115372 -0.000647 -0.000965 29O 3pz -0.002149 0.024070 -0.028082 0.064232 -0.027809 0.022520 29O 3px 0.001991 0.009871 0.116262 -0.217030 0.082394 0.011747 29O 3py 0.005859 -0.001631 0.085798 -0.101860 0.022122 -0.019176 29O 1dz2 0.000510 -0.000396 -0.005612 0.005177 -0.001547 -0.000993 29O 1dxz 0.000201 -0.000099 -0.005718 0.005531 -0.002756 0.001213 29O 1dyz -0.000003 -0.000293 -0.001316 0.001304 -0.000286 0.000884 29O 1dx2y2 0.000119 -0.000268 0.005767 -0.006023 0.003871 0.000908 29O 1dxy -0.000087 -0.000382 0.005616 -0.005228 0.000864 -0.000953 29O 2dz2 -0.003118 -0.002060 0.046526 -0.044713 0.006237 0.002123 29O 2dxz -0.001775 0.002310 0.036864 -0.035652 0.009286 -0.002193 29O 2dyz -0.000879 -0.005098 0.007906 -0.007743 0.000646 -0.004236 29O 2dx2y2 0.000339 0.001109 -0.018077 0.018227 -0.011388 -0.002550 29O 2dxy 0.000829 -0.001402 -0.042752 0.040720 -0.004197 0.001543 29O 1f0 0.000395 0.000813 -0.020821 0.020920 -0.000859 -0.000097 29O 1f+1 -0.000041 0.000998 0.008741 -0.009039 0.000544 -0.000593 29O 1f-1 0.000798 0.000679 -0.022012 0.021155 -0.001035 0.000537 29O 1f+2 -0.000284 -0.000470 0.008618 -0.009236 -0.000152 0.000615 29O 1f-2 0.000425 -0.001064 -0.014343 0.013517 -0.000901 -0.000799 29O 1f+3 -0.000272 0.000565 0.005678 -0.006284 -0.000649 -0.000071 29O 1f-3 -0.000203 0.000588 0.007211 -0.007471 0.000289 0.000718 30O 1s -0.005644 -0.010124 -0.029933 0.033348 0.481557 0.561440 30O 2s -0.000870 -0.001753 0.036687 -0.041015 -0.595532 -0.695383 30O 3s 0.114192 0.211912 -0.033345 0.041950 0.641516 0.751638 30O 4s -0.354461 -0.640897 0.044415 -0.063766 -0.971294 -1.136473 30O 5s -0.142349 -0.545637 -0.104447 0.042177 0.197779 0.478672 30O 1pz -0.017449 -0.031833 0.000623 -0.000880 -0.014361 -0.012344 30O 1px 0.023143 0.046989 0.000564 0.001260 0.023264 0.022617 30O 1py 0.016355 0.033067 -0.000716 0.001044 0.014200 0.010972 30O 2pz 0.132373 0.256836 0.005429 0.014712 0.121193 0.108497 30O 2px -0.178927 -0.354403 -0.013396 -0.019749 -0.195855 -0.194002 30O 2py -0.137879 -0.274707 -0.004874 -0.014262 -0.121056 -0.100833 30O 3pz 0.059154 0.096445 -0.043557 -0.100554 0.064826 0.061686 30O 3px -0.017760 -0.085630 0.023672 0.092058 -0.119623 -0.060022 30O 3py -0.074051 -0.115519 0.047316 0.100727 -0.054109 -0.110046 30O 1dz2 0.000460 0.001825 0.000823 0.002120 0.000487 0.002089 30O 1dxz -0.004276 -0.009603 0.000155 -0.000253 -0.005127 -0.006355 30O 1dyz -0.001767 -0.004620 -0.000787 -0.001401 0.001770 0.003056 30O 1dx2y2 -0.000143 -0.000823 -0.001368 -0.002098 0.002855 0.003160 30O 1dxy 0.007733 0.014028 0.000311 0.002076 0.006957 0.009319 30O 2dz2 0.012741 0.020384 -0.000253 -0.005297 0.008866 0.004238 30O 2dxz 0.073308 0.146230 0.003367 0.002316 0.052081 0.053071 30O 2dyz 0.051039 0.104877 0.004041 0.005840 0.018729 0.012270 30O 2dx2y2 -0.017270 -0.030598 0.000366 0.005602 -0.025715 -0.028224 30O 2dxy -0.088000 -0.167143 -0.004201 -0.007040 -0.057571 -0.062251 30O 1f0 -0.018637 -0.035470 -0.000795 0.000487 -0.004738 -0.003848 30O 1f+1 -0.004639 -0.011031 0.000458 0.000070 -0.003480 -0.003141 30O 1f-1 -0.001708 -0.004212 0.000292 0.000823 0.000178 0.001070 30O 1f+2 0.011015 0.022198 0.000381 0.001044 0.003669 0.004647 30O 1f-2 0.032019 0.063436 -0.000376 -0.001161 0.008718 0.007907 30O 1f+3 -0.010755 -0.020577 0.001031 0.000868 -0.004453 -0.004436 30O 1f-3 0.025038 0.047835 0.000304 0.000442 0.008912 0.009218 31O 1s 0.005462 -0.010135 -0.029436 -0.034246 -0.478498 0.563402 31O 2s 0.000842 -0.001755 0.036078 0.042119 0.591750 -0.697813 31O 3s -0.110496 0.212151 -0.032806 -0.043017 -0.637526 0.754271 31O 4s 0.342926 -0.641787 0.043843 0.065254 0.965585 -1.140483 31O 5s 0.138387 -0.545385 -0.101818 -0.045785 -0.195266 0.480912 31O 1pz -0.016906 0.031880 -0.000612 -0.000899 -0.014285 0.012393 31O 1px 0.022421 -0.047051 -0.000577 0.001280 0.023133 -0.022708 31O 1py 0.015784 -0.033100 0.000718 0.001047 0.014121 -0.010988 31O 2pz 0.128127 -0.257177 -0.005358 0.014691 0.120658 -0.108874 31O 2px -0.173255 0.354844 0.013287 -0.019741 -0.194917 0.194690 31O 2py -0.133290 0.274926 0.004728 -0.014162 -0.120460 0.101053 31O 3pz 0.057358 -0.096881 0.044342 -0.101352 0.064967 -0.061729 31O 3px -0.016983 0.085548 -0.024619 0.092900 -0.119661 0.060327 31O 3py -0.071509 0.115873 -0.047926 0.101168 -0.053804 0.109826 31O 1dz2 -0.000438 0.001822 0.000835 -0.002135 -0.000479 0.002086 31O 1dxz 0.004115 -0.009627 0.000185 0.000225 0.005099 -0.006354 31O 1dyz 0.001707 -0.004618 -0.000776 0.001368 -0.001773 0.003081 31O 1dx2y2 0.000149 -0.000813 -0.001373 0.002097 -0.002853 0.003167 31O 1dxy -0.007499 0.014053 0.000289 -0.002057 -0.006915 0.009318 31O 2dz2 -0.012359 0.020374 -0.000296 0.005338 -0.008828 0.004268 31O 2dxz -0.070869 0.146447 0.003230 -0.002188 -0.051859 0.053180 31O 2dyz -0.049386 0.104944 0.003963 -0.005692 -0.018610 0.012268 31O 2dx2y2 0.016681 -0.030696 0.000390 -0.005592 0.025645 -0.028307 31O 2dxy 0.085185 -0.167300 -0.004073 0.006942 0.057273 -0.062329 31O 1f0 -0.018042 0.035500 0.000792 0.000491 -0.004704 0.003847 31O 1f+1 -0.004474 0.011071 -0.000462 0.000071 -0.003473 0.003160 31O 1f-1 -0.001652 0.004236 -0.000297 0.000832 0.000171 -0.001070 31O 1f+2 0.010645 -0.022234 -0.000385 0.001046 0.003648 -0.004662 31O 1f-2 0.030974 -0.063496 0.000385 -0.001172 0.008672 -0.007935 31O 1f+3 -0.010417 0.020576 -0.001036 0.000863 -0.004431 0.004459 31O 1f-3 0.024238 -0.047877 -0.000302 0.000443 0.008867 -0.009252 32O 1s -0.000137 0.000129 -0.975804 -0.982234 0.079757 0.001035 32O 2s 0.000067 -0.000027 1.196491 1.208748 -0.098703 -0.001271 32O 3s -0.001183 -0.000798 -1.168774 -1.216863 0.107656 0.000676 32O 4s 0.002942 0.002605 1.404263 1.537271 -0.184880 0.002549 32O 5s 0.020218 -0.008814 -0.846849 -1.095097 0.288566 -0.009421 32O 1pz -0.000722 -0.000067 -0.003651 -0.001138 0.001322 0.001042 32O 1px 0.000419 -0.000064 0.006125 -0.000395 -0.005056 0.001576 32O 1py -0.000813 -0.000047 -0.019376 -0.018302 -0.000643 -0.000262 32O 2pz 0.005385 -0.009105 0.025041 0.014637 -0.001582 -0.004845 32O 2px -0.003375 -0.002594 -0.047083 -0.019023 0.011201 -0.005938 32O 2py 0.006449 0.000149 0.119672 0.115871 -0.000667 0.000287 32O 3pz -0.002541 -0.024023 0.029138 0.065215 -0.027774 -0.022608 32O 3px 0.002426 -0.009640 -0.115578 -0.216848 0.082282 -0.012352 32O 3py 0.005776 0.000329 -0.085975 -0.102172 0.022053 0.017325 32O 1dz2 -0.000525 -0.000480 -0.005610 -0.005184 0.001545 -0.000938 32O 1dxz -0.000209 -0.000113 -0.005757 -0.005586 0.002757 0.001248 32O 1dyz -0.000024 -0.000280 -0.001416 -0.001371 0.000262 0.000899 32O 1dx2y2 -0.000091 -0.000337 0.005728 0.006006 -0.003871 0.000918 32O 1dxy 0.000091 -0.000404 0.005577 0.005213 -0.000884 -0.000981 32O 2dz2 0.003131 -0.001713 0.046418 0.044704 -0.006228 0.001836 32O 2dxz 0.001770 0.002362 0.037290 0.036188 -0.009342 -0.002402 32O 2dyz 0.001027 -0.005180 0.009326 0.009054 -0.000608 -0.004354 32O 2dx2y2 -0.000415 0.001421 -0.017769 -0.017993 0.011375 -0.002456 32O 2dxy -0.000822 -0.001175 -0.042213 -0.040346 0.004245 0.001840 32O 1f0 0.000342 -0.000836 0.019441 0.019623 -0.000760 0.000095 32O 1f+1 -0.000068 -0.000969 -0.009706 -0.010012 0.000620 0.000555 32O 1f-1 0.000810 -0.000726 0.022806 0.021992 -0.001099 -0.000635 32O 1f+2 -0.000313 0.000491 -0.009716 -0.010319 -0.000095 -0.000592 32O 1f-2 0.000433 0.001011 0.013892 0.013112 -0.000861 0.000745 32O 1f+3 -0.000243 -0.000535 -0.005178 -0.005824 -0.000668 0.000159 32O 1f-3 -0.000191 -0.000614 -0.006992 -0.007276 0.000261 -0.000708 33O 1s -0.015124 0.010397 -0.001070 -0.045657 -0.486506 0.198067 33O 2s -0.002328 0.001800 0.001321 0.056116 0.601654 -0.245318 33O 3s 0.306007 -0.218142 0.000522 -0.054474 -0.648546 0.265733 33O 4s -0.950820 0.664182 0.000553 0.077136 0.981043 -0.406675 33O 5s -0.377814 0.558176 -0.057570 -0.127063 -0.175267 0.169033 33O 1pz 0.055839 -0.041500 -0.000230 -0.001274 -0.018584 0.004698 33O 1px -0.068086 0.052410 -0.001612 0.001066 0.025557 -0.007830 33O 1py 0.007815 -0.005532 -0.000232 -0.000892 -0.001618 -0.000404 33O 2pz -0.451710 0.343229 -0.008192 0.011035 0.157888 -0.045346 33O 2px 0.530166 -0.402805 0.018960 -0.012746 -0.215766 0.073204 33O 2py -0.073644 0.056671 0.000508 0.004294 0.014167 0.001262 33O 3pz -0.211138 0.139976 0.041339 -0.120173 0.070401 -0.018456 33O 3px 0.077900 -0.104081 -0.033201 0.120168 -0.129442 0.050007 33O 3py -0.094197 0.042693 0.021874 -0.041408 -0.003263 -0.048723 33O 1dz2 0.003217 -0.003592 0.000641 -0.001121 0.001400 -0.000427 33O 1dxz -0.020275 0.015555 0.000006 0.001196 0.007079 -0.002946 33O 1dyz -0.003537 0.001698 0.000453 -0.000352 0.004231 -0.003239 33O 1dx2y2 0.006764 -0.004477 -0.000606 0.001327 -0.003875 0.001304 33O 1dxy -0.009479 0.007386 -0.000397 0.001721 0.002746 -0.001142 33O 2dz2 -0.040316 0.035800 -0.000040 0.002912 -0.001817 0.001452 33O 2dxz 0.292206 -0.219463 0.004704 -0.001284 -0.072962 0.024309 33O 2dyz -0.019820 0.019354 -0.000368 0.000970 -0.008073 0.009023 33O 2dx2y2 -0.155558 0.113130 -0.003435 -0.004658 0.046235 -0.017459 33O 2dxy 0.065328 -0.050211 -0.000344 -0.004076 -0.013122 0.005193 33O 1f0 0.041507 -0.030497 0.000449 -0.000042 -0.005445 0.002342 33O 1f+1 0.060366 -0.045826 -0.000525 0.001410 -0.007680 0.001777 33O 1f-1 0.001204 -0.001372 0.000007 -0.001138 -0.001271 0.001122 33O 1f+2 -0.090813 0.067610 -0.000520 -0.000538 0.010437 -0.003296 33O 1f-2 0.021240 -0.016270 -0.000752 0.001047 -0.001135 0.000434 33O 1f+3 -0.039718 0.029057 -0.000967 -0.000043 0.003909 -0.000688 33O 1f-3 0.021766 -0.016343 -0.000683 0.000400 -0.004650 0.002188 34O 1s 0.005659 -0.010110 -0.005248 0.049031 0.505033 -0.714489 34O 2s 0.000824 -0.001745 0.006436 -0.060281 -0.624563 0.884960 34O 3s -0.112770 0.211154 -0.003974 0.059363 0.671802 -0.954386 34O 4s 0.347177 -0.633479 0.004964 -0.083423 -1.009148 1.417666 34O 5s 0.145562 -0.530828 -0.079506 0.101357 0.191774 -0.545764 34O 1pz -0.000122 -0.002679 -0.000713 -0.000342 -0.002424 0.004338 34O 1px -0.031459 0.063571 0.001126 0.001884 0.031908 -0.038265 34O 1py 0.006223 -0.013960 0.000285 -0.001075 -0.004874 0.004159 34O 2pz -0.004383 0.012598 0.004169 0.003023 0.022143 -0.033047 34O 2px 0.248272 -0.496629 -0.022201 -0.020943 -0.266575 0.309438 34O 2py -0.059056 0.124187 0.001853 0.006607 0.041440 -0.039041 34O 3pz 0.020237 -0.009746 0.010375 -0.003325 0.034831 0.014982 34O 3px 0.068070 -0.135964 0.043585 0.150167 -0.146669 0.138559 34O 3py -0.046195 0.055538 -0.039813 -0.060062 0.004496 -0.098684 34O 1dz2 0.002730 -0.005755 -0.000125 -0.000797 -0.002234 0.003627 34O 1dxz -0.000029 0.002415 0.000264 0.001304 -0.001372 0.000657 34O 1dyz -0.002838 0.005701 -0.000205 0.001179 0.004819 -0.007690 34O 1dx2y2 -0.006104 0.012012 -0.000511 0.000142 0.008120 -0.012047 34O 1dxy 0.004656 -0.008984 -0.000649 -0.002240 -0.000772 0.002363 34O 2dz2 -0.058302 0.116484 0.003897 0.002196 0.037861 -0.046332 34O 2dxz -0.006931 0.004374 0.002101 -0.003443 0.013077 -0.012170 34O 2dyz 0.010255 -0.019269 0.000604 -0.002800 -0.015189 0.023031 34O 2dx2y2 0.095799 -0.189503 -0.005360 -0.000114 -0.075516 0.094991 34O 2dxy -0.052432 0.104279 0.001139 0.006098 0.020046 -0.028320 34O 1f0 0.004252 -0.007045 -0.000422 -0.000565 0.000042 0.001169 34O 1f+1 -0.026058 0.052560 0.000260 -0.000801 0.008283 -0.010558 34O 1f-1 0.005527 -0.011475 0.000143 0.000520 -0.001209 0.001570 34O 1f+2 -0.002682 0.003347 0.000771 0.000210 0.000604 -0.000963 34O 1f-2 0.005298 -0.009965 0.000269 -0.000610 -0.004134 0.004939 34O 1f+3 -0.029500 0.060062 0.001014 0.000302 0.010234 -0.013367 34O 1f-3 0.022794 -0.045194 0.000783 0.001383 -0.007534 0.008861 35O 1s -0.015310 0.010314 -0.037313 0.037001 0.487258 -0.332883 35O 2s -0.002252 0.001759 0.045743 -0.045509 -0.602595 0.412317 35O 3s 0.304798 -0.214310 -0.042686 0.046333 0.648441 -0.444284 35O 4s -0.933154 0.641688 0.055569 -0.068184 -0.977512 0.655462 35O 5s -0.356479 0.527071 -0.077202 0.052486 0.200795 -0.260888 35O 1pz 0.010444 -0.007215 -0.000857 0.000145 0.001171 -0.000221 35O 1px 0.079242 -0.060166 -0.000773 0.001734 0.028577 -0.017421 35O 1py 0.035689 -0.027122 -0.000508 0.000534 0.011843 -0.006461 35O 2pz -0.090289 0.070215 0.002380 -0.002583 -0.009358 0.003645 35O 2px -0.618203 0.464836 -0.008056 -0.025132 -0.240743 0.135338 35O 2py -0.286851 0.217790 -0.002378 -0.009113 -0.098144 0.052207 35O 3pz -0.107123 0.041503 0.040776 0.047270 0.015632 0.019169 35O 3px -0.129246 0.125202 0.061290 0.146614 -0.146141 0.035550 35O 3py -0.111905 0.075572 0.046133 0.074239 -0.039575 0.081182 35O 1dz2 -0.013441 0.009804 0.000662 -0.000193 -0.006292 0.004224 35O 1dxz 0.009232 -0.007920 0.001193 0.003453 0.000443 -0.002095 35O 1dyz -0.003547 0.002215 0.000343 -0.000227 -0.004314 0.002548 35O 1dx2y2 0.008128 -0.005919 -0.000893 -0.000680 0.004554 -0.003539 35O 1dxy 0.013402 -0.010136 -0.000178 0.001339 0.003087 -0.002631 35O 2dz2 0.170685 -0.125329 0.000418 0.001485 0.048657 -0.027515 35O 2dxz -0.075896 0.061289 -0.001585 -0.010142 -0.005426 0.009588 35O 2dyz -0.011350 0.011195 -0.000613 -0.000450 0.010746 -0.006283 35O 2dx2y2 -0.176792 0.129659 -0.001260 0.000198 -0.051273 0.030873 35O 2dxy -0.214532 0.160395 -0.001546 -0.005558 -0.045943 0.029931 35O 1f0 0.019496 -0.015213 -0.000717 -0.000853 0.002521 -0.001061 35O 1f+1 0.069965 -0.051727 0.000211 0.000476 0.009276 -0.005963 35O 1f-1 0.034202 -0.025940 -0.000600 -0.000221 0.003379 -0.002597 35O 1f+2 -0.022848 0.017595 0.000975 0.000427 -0.004544 0.001797 35O 1f-2 -0.012237 0.009642 0.000229 0.001466 0.000111 0.000287 35O 1f+3 0.028685 -0.021022 0.000504 0.000545 0.002385 -0.001407 35O 1f-3 0.090885 -0.067490 -0.000199 -0.000838 0.009867 -0.006569 762 763 764 765 766 767 43.92199 43.94359 43.96751 44.15275 44.15889 44.17935 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -------- -------- -------- -------- -------- -------- 0Rh 1s -0.009761 -0.081831 0.000210 -0.002335 0.002497 -0.000655 0Rh 2s -0.056145 -0.470690 0.001212 -0.013443 0.014387 -0.003772 0Rh 3s -0.095718 -0.802453 0.002064 -0.022906 0.024503 -0.006425 0Rh 4s 0.165432 1.386626 -0.003574 0.039610 -0.042451 0.011126 0Rh 5s -0.085757 -0.716234 0.001869 -0.020423 0.022311 -0.005815 0Rh 6s 0.040658 0.331296 -0.000843 0.009288 -0.011215 0.002818 0Rh 7s -0.006406 -0.017328 0.001218 -0.008812 0.022829 -0.001159 0Rh 8s 0.014588 0.065384 0.000999 0.021102 -0.012476 0.002249 0Rh 1pz 0.000613 -0.000054 -0.000008 -0.000958 -0.000892 -0.000024 0Rh 1px -0.000045 -0.000569 0.000008 -0.000466 -0.000005 -0.000002 0Rh 1py 0.000909 -0.000116 -0.000013 0.000832 -0.001043 -0.000029 0Rh 2pz -0.002825 0.000239 0.000042 0.004426 0.004127 0.000108 0Rh 2px 0.000215 0.002652 -0.000036 0.002158 0.000018 0.000010 0Rh 2py -0.004190 0.000538 0.000063 -0.003848 0.004822 0.000132 0Rh 3pz 0.012892 -0.000738 -0.000255 -0.020236 -0.019033 -0.000489 0Rh 3px -0.001209 -0.013206 0.000171 -0.009969 0.000134 -0.000046 0Rh 3py 0.019001 -0.002626 -0.000315 0.017653 -0.022122 -0.000619 0Rh 4pz -0.021918 -0.000569 0.000524 0.033136 0.031993 0.001031 0Rh 4px 0.003175 0.028745 -0.000401 0.016791 -0.001485 0.000128 0Rh 4py -0.031733 0.005627 0.000642 -0.029176 0.036604 0.001209 0Rh 5pz 0.014248 0.006061 -0.000117 -0.012604 -0.015473 -0.001550 0Rh 5px -0.005680 -0.038781 0.000747 -0.008309 0.005621 -0.000338 0Rh 5py 0.018919 -0.007692 -0.000600 0.012205 -0.015547 -0.001317 0Rh 6pz -0.253654 0.000142 0.002743 0.327568 0.343845 -0.004954 0Rh 6px 0.019218 0.212599 -0.004753 0.184489 -0.026063 -0.000458 0Rh 6py -0.381895 0.046404 0.001471 -0.305798 0.372727 -0.000792 0Rh 1dz2 -0.000180 0.000145 0.000858 0.000042 0.000257 0.000968 0Rh 1dxz 0.000092 0.000174 -0.000074 -0.000347 -0.000171 0.000025 0Rh 1dyz -0.000014 -0.000040 0.002055 -0.000204 -0.000083 0.002500 0Rh 1dx2y2 0.000048 -0.000372 0.000325 -0.000199 -0.000196 0.000430 0Rh 1dxy 0.000201 0.000078 0.000768 0.000290 -0.000332 0.000983 0Rh 2dz2 0.000633 -0.000311 -0.003225 -0.000116 -0.000845 -0.002947 0Rh 2dxz -0.000299 -0.000346 0.000274 0.001135 0.000533 -0.000108 0Rh 2dyz 0.000067 0.000173 -0.007748 0.000676 0.000289 -0.007657 0Rh 2dx2y2 -0.000194 0.000890 -0.001216 0.000635 0.000676 -0.001333 0Rh 2dxy -0.000710 -0.000400 -0.002910 -0.000943 0.001079 -0.003015 0Rh 3dz2 -0.001470 -0.000348 0.008555 0.000076 0.001621 0.004325 0Rh 3dxz 0.000577 -0.000637 -0.000706 -0.002119 -0.000802 0.000362 0Rh 3dyz -0.000251 -0.000565 0.020666 -0.001295 -0.000634 0.011511 0Rh 3dx2y2 0.000588 0.000194 0.003192 -0.001084 -0.001490 0.002101 0Rh 3dxy 0.001676 0.001608 0.007827 0.001722 -0.001955 0.004565 0Rh 4dz2 0.003510 0.004660 -0.023402 0.001029 -0.002035 -0.001266 0Rh 4dxz -0.001132 0.006784 0.001839 0.002084 -0.000748 -0.001134 0Rh 4dyz 0.001108 0.001882 -0.056896 0.001419 0.001341 -0.004820 0Rh 4dx2y2 -0.001782 -0.008687 -0.008605 0.000358 0.003356 -0.001366 0Rh 4dxy -0.004308 -0.006099 -0.021756 -0.001444 0.001400 -0.002088 0Rh 5dz2 -0.009325 -0.001169 0.046207 -0.013029 -0.006156 0.034828 0Rh 5dxz 0.008029 -0.004204 -0.003260 0.013525 0.020690 -0.000943 0Rh 5dyz -0.005070 -0.002040 0.112397 0.006586 -0.006759 0.089260 0Rh 5dx2y2 0.001046 0.001343 0.016798 0.012564 -0.010837 0.014351 0Rh 5dxy 0.015464 0.005743 0.042670 -0.013403 0.018841 0.035552 0Rh 1f0 0.000500 -0.001237 -0.000088 -0.000310 0.000941 -0.000930 0Rh 1f+1 0.000932 0.000738 -0.000118 0.001508 0.001545 0.001282 0Rh 1f-1 0.000881 0.000145 -0.000226 0.000137 0.002170 -0.001231 0Rh 1f+2 -0.000857 0.001848 0.000172 -0.001956 -0.001634 -0.000870 0Rh 1f-2 0.000789 0.000690 0.000013 -0.001749 0.001360 0.002615 0Rh 1f+3 -0.000347 0.001669 -0.000079 0.002102 -0.000387 -0.000311 0Rh 1f-3 0.001607 0.001088 -0.000087 -0.001305 0.001703 -0.001568 1Rh 1s -0.009780 -0.081856 0.000209 0.001992 -0.002596 -0.000741 1Rh 2s -0.056254 -0.470836 0.001199 0.011469 -0.014956 -0.004267 1Rh 3s -0.095904 -0.802701 0.002045 0.019541 -0.025471 -0.007267 1Rh 4s 0.165754 1.387055 -0.003527 -0.033795 0.044126 0.012586 1Rh 5s -0.085919 -0.716460 0.001796 0.017429 -0.023178 -0.006582 1Rh 6s 0.040713 0.331433 -0.000835 -0.007868 0.011616 0.003199 1Rh 7s -0.006466 -0.017214 -0.001071 0.008839 -0.022530 -0.001617 1Rh 8s 0.013452 0.065844 -0.001606 -0.022442 0.011549 0.002704 1Rh 1pz -0.000614 0.000055 -0.000012 -0.000959 -0.000894 0.000015 1Rh 1px 0.000047 0.000567 0.000004 -0.000466 -0.000006 0.000004 1Rh 1py -0.000910 0.000117 -0.000017 0.000831 -0.001044 0.000010 1Rh 2pz 0.002832 -0.000245 0.000060 0.004434 0.004137 -0.000069 1Rh 2px -0.000223 -0.002641 -0.000020 0.002155 0.000021 -0.000018 1Rh 2py 0.004192 -0.000542 0.000078 -0.003841 0.004826 -0.000046 1Rh 3pz -0.012925 0.000765 -0.000336 -0.020280 -0.019078 0.000306 1Rh 3px 0.001245 0.013150 0.000094 -0.009949 0.000117 0.000087 1Rh 3py -0.019011 0.002647 -0.000391 0.017622 -0.022147 0.000222 1Rh 4pz 0.021997 0.000507 0.000658 0.033234 0.032074 -0.000715 1Rh 4px -0.003254 -0.028621 -0.000242 0.016731 -0.001459 -0.000210 1Rh 4py 0.031760 -0.005662 0.000798 -0.029114 0.036669 -0.000549 1Rh 5pz -0.014354 -0.005964 -0.000198 -0.012744 -0.015539 0.001377 1Rh 5px 0.005802 0.038625 0.000564 -0.008161 0.005637 0.000430 1Rh 5py -0.018956 0.007721 -0.000776 0.012115 -0.015643 0.001028 1Rh 6pz 0.253985 -0.000220 0.004259 0.328399 0.345519 0.008356 1Rh 6px -0.020527 -0.211452 -0.003383 0.183906 -0.026068 -0.000793 1Rh 6py 0.382050 -0.047402 0.002190 -0.303459 0.373064 0.007450 1Rh 1dz2 -0.000181 0.000143 -0.000858 -0.000044 -0.000277 0.000965 1Rh 1dxz 0.000094 0.000176 0.000073 0.000336 0.000174 0.000023 1Rh 1dyz -0.000011 -0.000052 -0.002054 0.000220 0.000053 0.002501 1Rh 1dx2y2 0.000050 -0.000378 -0.000320 0.000210 0.000193 0.000431 1Rh 1dxy 0.000201 0.000074 -0.000771 -0.000290 0.000317 0.000991 1Rh 2dz2 0.000635 -0.000303 0.003226 0.000124 0.000911 -0.002938 1Rh 2dxz -0.000307 -0.000353 -0.000271 -0.001100 -0.000541 -0.000103 1Rh 2dyz 0.000052 0.000218 0.007746 -0.000725 -0.000196 -0.007661 1Rh 2dx2y2 -0.000202 0.000912 0.001201 -0.000672 -0.000667 -0.001337 1Rh 2dxy -0.000710 -0.000385 0.002922 0.000945 -0.001033 -0.003041 1Rh 3dz2 -0.001471 -0.000374 -0.008550 -0.000095 -0.001733 0.004307 1Rh 3dxz 0.000592 -0.000619 0.000708 0.002049 0.000819 0.000349 1Rh 3dyz -0.000215 -0.000688 -0.020661 0.001379 0.000500 0.011519 1Rh 3dx2y2 0.000609 0.000138 -0.003172 0.001156 0.001485 0.002115 1Rh 3dxy 0.001682 0.001561 -0.007856 -0.001732 0.001884 0.004613 1Rh 4dz2 0.003507 0.004750 0.023376 -0.000984 0.002149 -0.001240 1Rh 4dxz -0.001153 0.006732 -0.001877 -0.001968 0.000720 -0.001088 1Rh 4dyz 0.001018 0.002227 0.056894 -0.001507 -0.001305 -0.004834 1Rh 4dx2y2 -0.001848 -0.008545 0.008604 -0.000484 -0.003397 -0.001418 1Rh 4dxy -0.004339 -0.005955 0.021824 0.001478 -0.001359 -0.002138 1Rh 5dz2 -0.009389 -0.001323 -0.046263 0.013016 0.005464 0.034845 1Rh 5dxz 0.008036 -0.004059 0.003283 -0.013895 -0.020625 -0.001248 1Rh 5dyz -0.004978 -0.002739 -0.112456 -0.006044 0.005564 0.089433 1Rh 5dx2y2 0.001246 0.000985 -0.016661 -0.012061 0.010817 0.014565 1Rh 5dxy 0.015519 0.005424 -0.042753 0.013600 -0.019333 0.035282 1Rh 1f0 -0.000499 0.001236 -0.000100 -0.000319 0.000918 0.000945 1Rh 1f+1 -0.000927 -0.000737 -0.000112 0.001519 0.001566 -0.001270 1Rh 1f-1 -0.000886 -0.000156 -0.000228 0.000148 0.002154 0.001256 1Rh 1f+2 0.000868 -0.001838 0.000193 -0.001928 -0.001638 0.000853 1Rh 1f-2 -0.000790 -0.000682 0.000020 -0.001743 0.001392 -0.002587 1Rh 1f+3 0.000354 -0.001673 -0.000061 0.002123 -0.000381 0.000294 1Rh 1f-3 -0.001606 -0.001087 -0.000089 -0.001299 0.001685 0.001599 2C 1s -0.001028 -0.006436 0.000615 0.002365 0.007987 -0.007729 2C 2s 0.002009 0.012662 -0.001197 -0.004710 -0.015970 0.015473 2C 3s -0.005996 -0.005358 -0.000916 0.007761 0.030119 -0.051972 2C 4s -0.007422 -0.295595 0.014971 0.077322 0.238840 -0.019677 2C 5s 0.002543 0.835477 0.070556 -0.162375 -0.422905 0.994186 2C 1pz -0.000767 -0.011570 -0.000365 0.005272 0.013513 -0.015193 2C 1px -0.001725 -0.007196 0.002189 0.003561 0.009113 -0.007585 2C 1py -0.000540 -0.007310 0.000092 0.000655 0.009195 -0.009314 2C 2pz -0.012382 -0.156916 -0.000436 0.035347 0.171095 -0.048479 2C 2px -0.016637 0.027431 0.007052 -0.025076 -0.040133 0.040899 2C 2py -0.019392 -0.104086 0.008008 0.065395 0.103505 -0.032661 2C 3pz 0.035406 0.164418 -0.017964 -0.006917 -0.078901 0.208304 2C 3px -0.078970 0.065316 0.094499 0.000298 -0.068310 0.064500 2C 3py -0.006195 0.113274 0.022270 -0.053228 -0.030715 0.130788 2C 1dz2 -0.002664 -0.003415 0.001819 -0.000950 0.003664 -0.001151 2C 1dxz 0.001899 -0.001841 -0.001482 0.000375 0.000877 0.000226 2C 1dyz -0.000568 -0.008677 -0.000235 0.003893 0.008651 -0.004356 2C 1dx2y2 0.001698 -0.001156 -0.001419 -0.000421 0.003048 -0.003401 2C 1dxy 0.001687 -0.004414 -0.001194 -0.000021 0.006059 -0.003920 2C 2dz2 0.007806 -0.044192 -0.011393 0.010093 0.047830 -0.022156 2C 2dxz -0.027421 -0.046766 0.021093 0.021585 0.065730 -0.038949 2C 2dyz -0.002071 -0.027013 -0.004586 0.010091 0.017789 -0.004133 2C 2dx2y2 0.004460 0.059510 -0.001577 -0.027262 -0.080255 0.050550 2C 2dxy -0.013891 0.010656 0.011121 -0.008064 -0.015273 0.011133 2C 1f0 -0.001736 -0.002684 0.000554 -0.001825 0.003439 -0.000587 2C 1f+1 0.000845 -0.010397 -0.000782 0.001746 0.013415 -0.006514 2C 1f-1 -0.001025 -0.004469 0.000500 0.000317 0.000482 -0.000509 2C 1f+2 0.000522 0.005571 -0.000338 -0.003221 -0.004002 0.001686 2C 1f-2 0.002822 -0.004637 0.000283 0.001544 0.003432 -0.001983 2C 1f+3 0.000903 -0.001112 -0.001228 0.000905 0.000916 -0.001005 2C 1f-3 -0.000467 -0.004864 -0.000464 0.003100 0.006212 -0.002935 3C 1s -0.000573 -0.006487 -0.000318 0.007922 -0.002264 0.007638 3C 2s 0.001130 0.012767 0.000614 -0.015847 0.004503 -0.015298 3C 3s 0.001636 -0.006477 0.000639 0.030562 -0.006063 0.052170 3C 4s -0.042832 -0.291244 -0.002827 0.233170 -0.086287 0.014546 3C 5s 0.120300 0.833249 -0.058449 -0.426859 0.180708 -0.987343 3C 1pz -0.000658 -0.003699 0.000861 0.004476 0.000932 0.005684 3C 1px -0.000015 -0.007338 -0.001657 0.009125 -0.002396 0.008167 3C 1py 0.001681 0.013086 -0.000242 -0.015481 0.005948 -0.016365 3C 2pz -0.015152 -0.122031 0.001630 0.128689 -0.077875 0.052486 3C 2px 0.001364 -0.022159 -0.011053 0.011825 -0.012147 -0.014275 3C 2py 0.015644 0.140184 -0.006608 -0.145958 0.031838 -0.032906 3C 3pz 0.001317 0.083240 0.026735 0.000252 0.046592 -0.099941 3C 3px 0.047009 0.084937 -0.093325 -0.050896 0.025783 -0.089957 3C 3py -0.012607 -0.173010 -0.006335 0.095324 -0.008763 0.214263 3C 1dz2 0.000271 0.004467 -0.000646 -0.006524 -0.001097 -0.004531 3C 1dxz 0.000972 -0.001172 -0.000474 0.000033 -0.000577 -0.001102 3C 1dyz 0.000588 0.008045 0.000480 -0.008617 0.003098 -0.004516 3C 1dx2y2 -0.000633 0.001566 0.001766 -0.000311 -0.000199 0.001431 3C 1dxy 0.002368 0.004796 -0.002466 -0.004237 0.002187 -0.001933 3C 2dz2 -0.003181 -0.013518 0.004727 0.021557 -0.013492 0.017542 3C 2dxz -0.001946 -0.043843 -0.008012 0.059569 -0.020397 0.036139 3C 2dyz 0.006078 0.010334 -0.012772 0.004780 0.002910 0.008249 3C 2dx2y2 0.011974 0.069533 -0.010882 -0.082471 0.027261 -0.045069 3C 2dxy -0.005536 0.035636 0.016514 -0.041836 0.016453 -0.021157 3C 1f0 -0.000189 0.000240 -0.000332 0.003049 -0.000163 0.001158 3C 1f+1 -0.000267 -0.003232 0.000144 0.003866 -0.002740 0.001711 3C 1f-1 -0.000543 -0.002265 -0.000216 0.003944 0.001835 0.001376 3C 1f+2 -0.000191 0.001684 0.001384 0.002249 -0.000018 0.001384 3C 1f-2 0.001526 0.007254 -0.000544 -0.006188 0.003343 -0.002905 3C 1f+3 -0.002387 -0.009703 0.000738 0.010948 -0.002395 0.005629 3C 1f-3 -0.000191 0.006774 0.000018 -0.008072 0.000338 -0.003444 4C 1s -0.002664 -0.024273 0.000956 0.009422 0.032536 -0.021660 4C 2s 0.005651 0.051651 -0.001998 -0.020147 -0.069488 0.046622 4C 3s -0.002936 -0.018592 0.004775 0.007234 0.014442 -0.055240 4C 4s -0.041798 -0.430030 0.001141 0.151080 0.586401 -0.170007 4C 5s 0.001578 -0.407537 -0.052812 0.028614 0.116283 0.415697 4C 1pz 0.011251 0.000173 -0.010466 0.002677 0.009651 -0.011062 4C 1px -0.033538 0.006867 0.031346 0.000107 -0.000062 -0.001770 4C 1py -0.006063 0.001904 0.005447 0.001166 0.006944 -0.007651 4C 2pz 0.170738 -0.449034 -0.102454 0.141363 0.435895 -0.195522 4C 2px -0.678235 0.035991 0.352899 0.003208 0.087511 -0.033891 4C 2py -0.151003 -0.253678 0.070978 0.078445 0.293855 -0.128786 4C 3pz -0.038012 0.468596 0.128775 -0.150603 -0.317208 1.104328 4C 3px 0.213709 0.027594 -0.342945 -0.045374 -0.015585 0.194951 4C 3py 0.056808 0.296108 -0.050318 -0.026365 -0.235350 0.752964 4C 1dz2 0.023803 0.004384 -0.013248 0.005607 -0.014000 0.007172 4C 1dxz -0.036724 0.027893 0.022285 -0.004903 -0.028384 0.019550 4C 1dyz -0.001166 -0.017156 -0.000210 0.000775 0.019831 -0.015254 4C 1dx2y2 -0.007476 -0.036959 0.002616 0.020107 0.046097 -0.034179 4C 1dxy -0.030673 -0.017025 0.017903 0.007811 0.027423 -0.020096 4C 2dz2 0.157868 0.104927 -0.100458 -0.082289 -0.154179 0.074513 4C 2dxz -0.230081 0.202525 0.157970 -0.086575 -0.208922 0.084402 4C 2dyz 0.019566 0.081926 -0.008837 -0.004666 -0.088500 0.060758 4C 2dx2y2 -0.037088 -0.210219 0.017028 0.054091 0.299752 -0.104913 4C 2dxy -0.197347 -0.021668 0.123438 0.015399 0.083783 -0.016332 4C 1f0 0.002309 0.006156 -0.001682 -0.002936 -0.009642 0.000733 4C 1f+1 -0.005034 0.019570 0.004564 -0.004627 -0.027633 0.005123 4C 1f-1 0.014859 -0.011114 -0.009473 0.002823 0.009850 -0.004320 4C 1f+2 0.019125 -0.014480 -0.011793 0.002472 0.017705 -0.002230 4C 1f-2 -0.025364 0.001999 0.016140 -0.004698 0.004152 -0.000585 4C 1f+3 0.017223 -0.006060 -0.009898 0.006280 0.002725 -0.000745 4C 1f-3 0.027230 0.012278 -0.015819 -0.010283 -0.023095 0.004861 5C 1s -0.002612 -0.024405 -0.000071 0.032320 -0.009626 0.021425 5C 2s 0.005529 0.051937 0.000162 -0.069045 0.020585 -0.046135 5C 3s -0.000653 -0.018710 -0.001800 0.015241 -0.009025 0.055480 5C 4s -0.054113 -0.432516 0.000287 0.578643 -0.146395 0.164568 5C 5s -0.071377 -0.401080 0.034911 0.108581 -0.040072 -0.421408 5C 1pz -0.004581 -0.000977 0.010150 0.007145 -0.001116 0.007446 5C 1px 0.014730 0.004085 -0.031211 0.003671 -0.001014 0.003886 5C 1py 0.002261 -0.001596 -0.006208 -0.009014 0.002325 -0.011003 5C 2pz -0.121964 -0.261368 0.112958 0.258930 -0.085402 0.110648 5C 2px 0.273316 -0.097502 -0.346410 0.149905 -0.021304 0.070071 5C 2py 0.101170 0.421352 -0.064269 -0.430785 0.145209 -0.188293 5C 3pz 0.058516 0.293881 -0.124944 -0.230239 0.023607 -0.677888 5C 3px -0.072731 0.126826 0.334044 -0.116283 0.028267 -0.401984 5C 3py -0.066968 -0.459128 0.079946 0.305829 -0.157755 1.093897 5C 1dz2 -0.004699 0.025423 0.008150 -0.030388 0.017959 -0.023760 5C 1dxz 0.013285 0.022995 -0.011633 -0.026879 0.012830 -0.019654 5C 1dyz 0.010251 0.026408 -0.010390 -0.029817 0.004175 -0.022229 5C 1dx2y2 0.007041 -0.028787 -0.013197 0.040853 -0.005054 0.027339 5C 1dxy -0.015149 -0.007150 0.022225 0.006208 -0.002128 0.003245 5C 2dz2 -0.023191 0.072136 0.056615 -0.126998 -0.008952 -0.029397 5C 2dxz 0.063328 0.167969 -0.083141 -0.210357 0.046675 -0.077950 5C 2dyz 0.046749 -0.014527 -0.073268 0.008691 0.020539 0.030083 5C 2dx2y2 0.035482 -0.216597 -0.094583 0.292172 -0.112467 0.116452 5C 2dxy -0.125433 -0.136356 0.159028 0.142806 -0.054881 0.067491 5C 1f0 0.009971 0.015993 -0.011442 -0.018465 0.008376 -0.004990 5C 1f+1 -0.007087 0.011939 0.012085 -0.018117 0.009451 -0.003833 5C 1f-1 0.005903 0.001166 -0.008446 0.001063 0.004311 -0.000001 5C 1f+2 -0.000286 0.005561 0.000782 -0.008415 -0.002740 -0.003143 5C 1f-2 -0.015829 -0.011840 0.020778 0.014765 -0.003546 0.001908 5C 1f+3 -0.002831 0.009608 0.004699 -0.016176 0.003615 -0.002200 5C 1f-3 0.002318 -0.015058 -0.006301 0.023398 -0.002139 0.003148 6C 1s -0.002596 -0.024480 0.000210 -0.032187 0.009323 0.021693 6C 2s 0.005495 0.052094 -0.000460 0.068756 -0.019932 -0.046706 6C 3s -0.000395 -0.018899 0.002017 -0.015108 0.008077 0.055672 6C 4s -0.055125 -0.432917 0.001794 -0.576588 0.144886 0.168658 6C 5s -0.071587 -0.402548 -0.033631 -0.109575 0.046699 -0.419811 6C 1pz 0.004548 0.001052 0.010142 0.007065 -0.001031 -0.007470 6C 1px -0.014653 -0.004322 -0.031148 0.003606 -0.000916 -0.003913 6C 1py -0.002238 0.001522 -0.006214 -0.008948 0.002178 0.011063 6C 2pz 0.121671 0.262810 0.111303 0.258365 -0.084249 -0.112978 6C 2px -0.272095 0.095039 -0.345926 0.149328 -0.018714 -0.070926 6C 2py -0.100913 -0.422697 -0.061700 -0.429651 0.142733 0.192161 6C 3pz -0.057750 -0.295060 -0.123839 -0.227309 0.014263 0.678642 6C 3px 0.072004 -0.123690 0.334303 -0.114565 0.022335 0.402320 6C 3py 0.066255 0.460102 0.078071 0.301819 -0.142424 -1.096792 6C 1dz2 -0.004678 0.025388 -0.008286 0.030196 -0.017584 -0.024121 6C 1dxz 0.013242 0.023128 0.011485 0.026765 -0.012593 -0.019944 6C 1dyz 0.010202 0.026519 0.010228 0.029693 -0.003890 -0.022406 6C 1dx2y2 0.007005 -0.028753 0.013317 -0.040665 0.004641 0.027595 6C 1dxy -0.015066 -0.007298 -0.022132 -0.006141 0.002156 0.003265 6C 2dz2 -0.023007 0.071838 -0.056852 0.126583 0.009501 -0.029751 6C 2dxz 0.063087 0.169342 0.081942 0.210127 -0.045964 -0.079753 6C 2dyz 0.046675 -0.013887 0.073219 -0.008669 -0.021377 0.029785 6C 2dx2y2 0.035095 -0.216397 0.095523 -0.291227 0.110429 0.119187 6C 2dxy -0.125004 -0.138107 -0.157963 -0.142652 0.054425 0.069041 6C 1f0 -0.009956 -0.016115 -0.011339 -0.018401 0.008340 0.005176 6C 1f+1 0.007019 -0.011876 0.012109 -0.018055 0.009371 0.004043 6C 1f-1 -0.005880 -0.001255 -0.008433 0.001026 0.004335 0.000071 6C 1f+2 0.000310 -0.005593 0.000818 -0.008447 -0.002805 0.003148 6C 1f-2 0.015784 0.012045 0.020669 0.014746 -0.003624 -0.002049 6C 1f+3 0.002778 -0.009594 0.004708 -0.016138 0.003575 0.002323 6C 1f-3 -0.002279 0.015026 -0.006375 0.023287 -0.002103 -0.003268 7C 1s -0.002645 -0.024297 -0.000826 -0.009472 -0.032253 -0.022070 7C 2s 0.005610 0.051700 0.001720 0.020252 0.068878 0.047497 7C 3s -0.002756 -0.018694 -0.004779 -0.007502 -0.013667 -0.055294 7C 4s -0.042394 -0.429876 0.001495 -0.151180 -0.584242 -0.177872 7C 5s 0.002860 -0.407631 0.056748 -0.023544 -0.122494 0.414040 7C 1pz -0.011224 -0.000221 -0.010505 0.002738 0.009456 0.011171 7C 1px 0.033493 -0.006724 0.031491 0.000137 -0.000080 0.001758 7C 1py 0.006041 -0.001905 0.005453 0.001221 0.006795 0.007727 7C 2pz -0.170807 0.448463 -0.105377 0.141139 0.432770 0.200707 7C 2px 0.677819 -0.035814 0.354986 0.003544 0.087740 0.034872 7C 2py 0.150699 0.255024 0.069913 0.078929 0.293880 0.133183 7C 3pz 0.039581 -0.468570 0.132614 -0.151977 -0.303117 -1.107229 7C 3px -0.213385 -0.028546 -0.343592 -0.045182 -0.012242 -0.193764 7C 3py -0.055802 -0.297599 -0.048049 -0.027231 -0.225291 -0.756949 7C 1dz2 0.023758 0.004531 0.013254 -0.005568 0.014122 0.007485 7C 1dxz -0.036681 0.027821 -0.022536 0.004861 0.028072 0.019908 7C 1dyz -0.001133 -0.017215 0.000315 -0.000892 -0.019721 -0.015567 7C 1dx2y2 -0.007394 -0.036967 -0.002380 -0.020122 -0.045574 -0.034699 7C 1dxy -0.030721 -0.017081 -0.017943 -0.007867 -0.027206 -0.020441 7C 2dz2 0.157202 0.105078 0.100094 0.082608 0.153021 0.076085 7C 2dxz -0.229642 0.202247 -0.159600 0.086762 0.207668 0.087080 7C 2dyz 0.019739 0.082087 0.008723 0.005310 0.088077 0.062066 7C 2dx2y2 -0.036708 -0.210733 -0.015711 -0.054519 -0.299131 -0.109216 7C 2dxy -0.197715 -0.021679 -0.124195 -0.015362 -0.083571 -0.017320 7C 1f0 -0.002218 -0.006267 -0.001593 -0.002969 -0.009758 -0.000937 7C 1f+1 0.004913 -0.019552 0.004647 -0.004601 -0.027608 -0.005531 7C 1f-1 -0.014914 0.011098 -0.009603 0.002852 0.009770 0.004432 7C 1f+2 -0.019141 0.014373 -0.011964 0.002400 0.017530 0.002407 7C 1f-2 0.025428 -0.002058 0.016292 -0.004690 0.004075 0.000605 7C 1f+3 -0.017116 0.006061 -0.009905 0.006291 0.002707 0.000753 7C 1f-3 -0.027157 -0.012339 -0.015778 -0.010293 -0.023079 -0.005145 8C 1s -0.000565 -0.006496 0.000363 -0.007885 0.002160 0.007705 8C 2s 0.001115 0.012784 -0.000702 0.015772 -0.004296 -0.015430 8C 3s 0.001681 -0.006414 -0.000635 -0.030212 0.005390 0.052358 8C 4s -0.042880 -0.292307 0.004620 -0.233472 0.085762 0.016946 8C 5s 0.119980 0.835193 0.055664 0.422902 -0.166896 -0.991140 8C 1pz 0.000653 0.003734 0.000853 0.004471 0.000999 -0.005709 8C 1px 0.000030 0.007437 -0.001707 0.009203 -0.002325 -0.008318 8C 1py -0.001673 -0.013067 -0.000173 -0.015324 0.005708 0.016468 8C 2pz 0.015139 0.122201 0.000848 0.128220 -0.076890 -0.054006 8C 2px -0.001551 0.021143 -0.011009 0.010583 -0.011786 0.014931 8C 2py -0.015562 -0.141134 -0.005831 -0.146635 0.031266 0.034486 8C 3pz -0.001452 -0.083119 0.027026 0.000226 0.045083 0.100573 8C 3px -0.046672 -0.086133 -0.092877 -0.051236 0.024872 0.090926 8C 3py 0.012434 0.172994 -0.006918 0.094094 -0.005651 -0.214473 8C 1dz2 0.000276 0.004489 0.000640 0.006503 0.001156 -0.004544 8C 1dxz 0.000964 -0.001188 0.000476 -0.000075 0.000561 -0.001076 8C 1dyz 0.000586 0.008048 -0.000512 0.008573 -0.003023 -0.004582 8C 1dx2y2 -0.000641 0.001547 -0.001786 0.000317 0.000206 0.001440 8C 1dxy 0.002351 0.004844 0.002413 0.004263 -0.002182 -0.001999 8C 2dz2 -0.003172 -0.013717 -0.004587 -0.021589 0.013347 0.017934 8C 2dxz -0.002013 -0.044122 0.008227 -0.059736 0.019824 0.036899 8C 2dyz 0.006006 0.010354 0.012794 -0.004855 -0.002972 0.008321 8C 2dx2y2 0.011897 0.069727 0.010476 0.082140 -0.026509 -0.045765 8C 2dxy -0.005505 0.035751 -0.016670 0.041935 -0.016136 -0.021690 8C 1f0 0.000199 -0.000248 -0.000337 0.003012 -0.000152 -0.001156 8C 1f+1 0.000260 0.003254 0.000142 0.003867 -0.002747 -0.001781 8C 1f-1 0.000538 0.002264 -0.000242 0.003925 0.001845 -0.001360 8C 1f+2 0.000186 -0.001653 0.001406 0.002264 -0.000015 -0.001407 8C 1f-2 -0.001531 -0.007325 -0.000473 -0.006234 0.003323 0.003002 8C 1f+3 0.002383 0.009757 0.000706 0.010964 -0.002315 -0.005731 8C 1f-3 0.000204 -0.006714 0.000046 -0.007916 0.000252 0.003403 9C 1s -0.001032 -0.006444 -0.000593 -0.002383 -0.007893 -0.007833 9C 2s 0.002017 0.012678 0.001152 0.004748 0.015781 0.015682 9C 3s -0.006173 -0.005332 0.000965 -0.007847 -0.029391 -0.052346 9C 4s -0.006442 -0.296044 -0.013617 -0.077447 -0.239197 -0.022831 9C 5s -0.001209 0.836818 -0.077923 0.160230 0.410672 0.999265 9C 1pz 0.000728 0.011474 -0.000458 0.005233 0.013164 0.015233 9C 1px 0.001742 0.007259 0.002170 0.003585 0.009061 0.007717 9C 1py 0.000566 0.007480 0.000072 0.000735 0.009303 0.009649 9C 2pz 0.012506 0.157651 -0.000951 0.035879 0.171887 0.051404 9C 2px 0.016270 -0.028366 0.007028 -0.025524 -0.040670 -0.042158 9C 2py 0.018999 0.103436 0.007226 0.065086 0.101961 0.032847 9C 3pz -0.034878 -0.164047 -0.016844 -0.006168 -0.075329 -0.208050 9C 3px 0.079137 -0.064763 0.095377 0.000226 -0.067684 -0.065042 9C 3py 0.006501 -0.114609 0.023399 -0.053350 -0.030944 -0.132957 9C 1dz2 -0.002631 -0.003357 -0.001792 0.000992 -0.003585 -0.001095 9C 1dxz 0.001840 -0.001839 0.001459 -0.000368 -0.000899 0.000219 9C 1dyz -0.000588 -0.008713 0.000257 -0.003955 -0.008633 -0.004510 9C 1dx2y2 0.001686 -0.001101 0.001425 0.000370 -0.002919 -0.003369 9C 1dxy 0.001772 -0.004407 0.001283 0.000015 -0.006003 -0.003988 9C 2dz2 0.007849 -0.043746 0.011695 -0.009955 -0.047248 -0.022757 9C 2dxz -0.027289 -0.046891 -0.020927 -0.021715 -0.065500 -0.040122 9C 2dyz -0.001926 -0.027235 0.004851 -0.010166 -0.017949 -0.004231 9C 2dx2y2 0.004633 0.059946 0.001375 0.027390 0.080078 0.051670 9C 2dxy -0.014081 0.010714 -0.011336 0.008132 0.015246 0.011514 9C 1f0 0.001689 0.002535 0.000527 -0.001855 0.003291 0.000575 9C 1f+1 -0.000866 0.010312 -0.000850 0.001736 0.013236 0.006616 9C 1f-1 0.001013 0.004462 0.000468 0.000264 0.000493 0.000510 9C 1f+2 -0.000482 -0.005685 -0.000361 -0.003262 -0.004054 -0.001754 9C 1f-2 -0.002825 0.004714 0.000259 0.001574 0.003541 0.002130 9C 1f+3 -0.000909 0.001149 -0.001233 0.000904 0.000959 0.001056 9C 1f-3 0.000491 0.004919 -0.000551 0.003156 0.006224 0.003029 10H 1s -0.000682 -0.005296 0.002284 0.003307 0.010707 -0.009748 10H 2s -0.018670 -0.066644 0.005115 0.031559 0.088588 -0.051838 10H 3s 0.035649 -0.060958 -0.029895 0.008242 0.044560 -0.051034 10H 1pz -0.003683 -0.003501 0.002291 0.003700 0.009559 -0.005057 10H 1px 0.004475 0.005957 -0.001657 -0.003982 -0.009861 0.007535 10H 1py -0.001624 -0.004363 0.000996 0.003256 0.008932 -0.005092 11H 1s 0.000274 0.005915 -0.000456 -0.002792 -0.005199 0.002926 11H 2s 0.007036 0.031865 -0.018446 -0.029765 -0.051566 0.035726 11H 3s -0.006155 -0.066924 0.003582 0.035427 0.016569 -0.050672 11H 1pz 0.001865 0.006673 -0.004580 -0.006270 -0.005686 0.004178 11H 1px 0.001037 0.010348 -0.002075 -0.006692 -0.012134 0.008376 11H 1py 0.001055 0.002372 0.000351 -0.000582 -0.003695 0.002632 12H 1s -0.000002 0.002527 -0.000206 0.000363 -0.000107 -0.001391 12H 2s 0.001551 0.008645 -0.015020 0.005032 -0.028547 0.021580 12H 3s -0.007456 -0.063247 0.004764 -0.002886 0.037337 -0.055559 12H 1pz 0.001802 0.003251 -0.002103 0.000094 -0.003657 0.002567 12H 1px 0.001789 0.010640 -0.002469 -0.002687 -0.014914 0.009965 12H 1py 0.000684 0.003526 -0.003788 0.003344 -0.003418 0.001851 13H 1s -0.000950 -0.004498 -0.001666 0.009870 -0.002916 0.008895 13H 2s 0.001018 -0.059271 -0.002720 0.075314 -0.030618 0.042252 13H 3s -0.025361 -0.060318 0.026475 0.043811 -0.010157 0.051816 13H 1pz 0.001499 -0.007524 -0.001506 0.013539 -0.005863 0.008540 13H 1px -0.000991 0.001713 0.000845 -0.002615 0.001659 -0.002580 13H 1py -0.001307 0.000126 0.001967 -0.003841 0.002332 -0.001190 14H 1s 0.001519 0.000618 0.000268 0.001982 -0.000650 0.003037 14H 2s -0.005432 -0.003615 0.011359 -0.011262 -0.011495 -0.011267 14H 3s 0.001039 -0.061375 -0.006604 0.039709 0.000178 0.055051 14H 1pz -0.001296 -0.003642 0.001828 0.006586 -0.004950 0.004548 14H 1px -0.000121 0.008376 0.003107 -0.011079 -0.000340 -0.007200 14H 1py 0.000375 -0.005023 -0.002240 0.005562 -0.000471 0.004069 15H 1s 0.000107 0.006916 0.000262 -0.006472 0.003554 -0.003766 15H 2s 0.003582 0.035654 0.013529 -0.056032 0.029593 -0.036020 15H 3s -0.012152 -0.066171 -0.002286 0.016054 -0.037853 0.047934 15H 1pz -0.000567 -0.002455 -0.000556 0.002427 -0.001997 0.001310 15H 1px 0.001598 0.007259 -0.000322 -0.008949 0.004279 -0.006064 15H 1py -0.000530 -0.009271 -0.003846 0.008847 -0.007548 0.005781 16H 1s 0.002309 0.004906 0.002372 0.000428 0.000653 -0.000989 16H 2s 0.041297 -0.014814 -0.019103 -0.001448 -0.054401 0.012520 16H 3s -0.016750 -0.018753 0.003595 0.006696 0.022023 -0.014350 16H 1pz 0.014544 -0.000653 -0.006936 0.000382 -0.014756 0.005968 16H 1px 0.001173 0.001442 0.001645 -0.000648 -0.000609 -0.000222 16H 1py 0.005701 0.001899 -0.003287 -0.000220 -0.004661 0.002964 17H 1s 0.003175 0.004688 -0.001994 -0.000478 -0.000584 0.001159 17H 2s 0.029032 -0.010517 0.011586 0.030304 -0.030465 -0.008268 17H 3s -0.004791 -0.022092 -0.001901 -0.023012 0.002496 0.011664 17H 1pz -0.007961 -0.001346 -0.001726 -0.006788 0.006921 0.002199 17H 1px -0.007677 0.001926 -0.003511 -0.002594 0.007302 0.002306 17H 1py 0.005620 0.002415 0.003608 0.003592 -0.003206 -0.003282 18H 1s 0.003126 0.004733 0.001876 0.000414 0.000562 0.001148 18H 2s 0.029835 -0.011252 -0.010931 -0.027892 0.031419 -0.007465 18H 3s -0.004352 -0.022021 0.002109 0.023062 -0.002153 0.011273 18H 1pz 0.008224 0.001341 -0.001657 -0.006548 0.007198 -0.002000 18H 1px 0.007996 -0.002089 -0.003384 -0.002026 0.007707 -0.002132 18H 1py -0.005380 -0.002323 0.003573 0.003133 -0.003064 0.003172 19H 1s 0.002190 0.004925 -0.002451 -0.000425 -0.000727 -0.000990 19H 2s 0.041169 -0.015098 0.019729 0.003823 0.054627 0.013425 19H 3s -0.016790 -0.018900 -0.003481 -0.006292 -0.021917 -0.014623 19H 1pz -0.014175 0.000785 -0.007039 -0.000418 -0.014503 -0.006216 19H 1px -0.001103 -0.001439 0.001680 -0.000373 -0.000504 0.000238 19H 1py -0.006074 -0.001936 -0.003358 -0.000410 -0.005078 -0.003097 20H 1s 0.000088 0.006892 -0.000307 0.006387 -0.003458 -0.003786 20H 2s 0.003620 0.035513 -0.014074 0.055621 -0.029119 -0.036584 20H 3s -0.012241 -0.066345 0.002689 -0.016006 0.037116 0.048540 20H 1pz 0.000570 0.002457 -0.000599 0.002415 -0.001986 -0.001340 20H 1px -0.001595 -0.007438 -0.000212 -0.009119 0.004277 0.006295 20H 1py 0.000530 0.009196 -0.003976 0.008729 -0.007445 -0.005869 21H 1s 0.001531 0.000724 -0.000252 -0.001807 0.000579 0.002945 21H 2s -0.005201 -0.002811 -0.011533 0.012522 0.011278 -0.011946 21H 3s 0.000853 -0.061659 0.006650 -0.039349 -0.001094 0.055213 21H 1pz 0.001259 0.003538 0.001850 0.006352 -0.004852 -0.004523 21H 1px 0.000069 -0.008563 0.003168 -0.011317 -0.000365 0.007415 21H 1py -0.000377 0.005008 -0.002271 0.005553 -0.000411 -0.004088 22H 1s -0.000934 -0.004557 0.001715 -0.009903 0.002818 0.009036 22H 2s 0.000854 -0.060051 0.002978 -0.076091 0.030054 0.043641 22H 3s -0.025235 -0.060682 -0.026331 -0.043399 0.009756 0.052099 22H 1pz -0.001478 0.007542 -0.001544 0.013499 -0.005685 -0.008681 22H 1px 0.000980 -0.001858 0.000851 -0.002834 0.001657 0.002771 22H 1py 0.001274 -0.000290 0.001954 -0.004099 0.002366 0.001417 23H 1s 0.000047 0.002713 0.000199 -0.000313 0.000393 -0.001193 23H 2s 0.001881 0.010019 0.015477 -0.004372 0.030102 0.023002 23H 3s -0.006889 -0.063500 -0.004276 0.003427 -0.036330 -0.055850 23H 1pz -0.001797 -0.003215 -0.002059 0.000093 -0.003607 -0.002582 23H 1px -0.001771 -0.010679 -0.002383 -0.002763 -0.014827 -0.010177 23H 1py -0.000744 -0.003897 -0.003901 0.003226 -0.003915 -0.002219 24H 1s 0.000214 0.005815 0.000417 0.002722 0.004987 0.002845 24H 2s 0.006973 0.031350 0.018482 0.029691 0.050402 0.036335 24H 3s -0.005981 -0.067113 -0.003116 -0.034986 -0.016350 -0.051303 24H 1pz -0.001838 -0.006520 -0.004570 -0.006179 -0.005386 -0.004123 24H 1px -0.001076 -0.010491 -0.002151 -0.006804 -0.012200 -0.008703 24H 1py -0.001129 -0.002594 0.000273 -0.000717 -0.003927 -0.002835 25H 1s -0.000702 -0.005372 -0.002294 -0.003371 -0.010655 -0.009958 25H 2s -0.019013 -0.067417 -0.004847 -0.031716 -0.089190 -0.053731 25H 3s 0.036355 -0.060904 0.030867 -0.008267 -0.043765 -0.051512 25H 1pz 0.003788 0.003787 0.002285 0.003778 0.009921 0.005459 25H 1px -0.004543 -0.006045 -0.001666 -0.003996 -0.009913 -0.007755 25H 1py 0.001573 0.004179 0.000956 0.003139 0.008596 0.004993 26O 1s -0.689646 -0.362239 0.509105 0.185522 0.667342 -0.491237 26O 2s 0.854272 0.448988 -0.631220 -0.231090 -0.831432 0.612209 26O 3s -0.921954 -0.482839 0.679662 0.257267 0.930105 -0.678099 26O 4s 1.371495 0.660485 -0.985162 -0.378531 -1.377612 0.996036 26O 5s -0.542704 -0.132290 0.483775 0.212984 0.648407 -1.039926 26O 1pz -0.000617 0.003168 0.004029 -0.001614 -0.000976 0.001682 26O 1px 0.034371 0.025604 -0.022860 -0.011045 -0.037298 0.021937 26O 1py 0.012792 0.011551 -0.006292 -0.002395 -0.015199 0.009084 26O 2pz -0.000210 -0.030354 -0.015133 0.015047 0.025092 -0.010929 26O 2px -0.280080 -0.153829 0.177219 0.069989 0.250356 -0.120316 26O 2py -0.106564 -0.076208 0.057939 0.018685 0.113357 -0.050811 26O 3pz -0.080996 -0.100125 -0.046573 0.045303 0.245354 -0.215516 26O 3px -0.127461 -0.042880 -0.044231 -0.010227 0.084378 0.155203 26O 3py -0.071686 -0.073454 -0.046384 0.074945 0.170873 -0.078742 26O 1dz2 0.009682 0.004100 -0.003756 -0.000241 -0.007594 0.005782 26O 1dxz -0.002387 -0.004121 0.002269 0.003405 0.005557 -0.005594 26O 1dyz 0.006311 -0.003061 -0.002303 0.000276 0.003039 -0.000291 26O 1dx2y2 -0.005927 -0.004350 0.001663 0.003988 0.006134 -0.004024 26O 1dxy -0.005792 -0.007706 0.002486 0.001849 0.011540 -0.007849 26O 2dz2 -0.063481 -0.029787 0.028408 0.007828 0.053713 -0.030582 26O 2dxz 0.012217 0.026712 -0.008403 -0.018446 -0.036641 0.027520 26O 2dyz -0.015052 0.018160 0.002766 -0.004297 -0.020129 0.005903 26O 2dx2y2 0.060951 0.032322 -0.028925 -0.023669 -0.051635 0.025762 26O 2dxy 0.059327 0.052532 -0.030752 -0.014658 -0.083126 0.044315 26O 1f0 0.002695 0.002358 -0.000994 -0.002535 -0.004154 0.002574 26O 1f+1 0.011594 0.007002 -0.007391 -0.003108 -0.010370 0.006674 26O 1f-1 0.004767 0.002954 -0.004344 -0.001334 -0.006164 0.001900 26O 1f+2 -0.005104 0.000045 0.003506 0.000291 0.001518 0.000107 26O 1f-2 0.000549 -0.004523 -0.001930 0.002228 0.007067 -0.004944 26O 1f+3 0.004213 0.004224 -0.002904 -0.002891 -0.005347 0.003669 26O 1f-3 0.012465 0.012489 -0.006663 -0.004238 -0.019231 0.012186 27O 1s 0.227850 -0.413521 -0.490989 0.664613 -0.189577 0.483822 27O 2s -0.282229 0.512536 0.608741 -0.827873 0.236165 -0.602953 27O 3s 0.305059 -0.551885 -0.655276 0.924324 -0.262905 0.667647 27O 4s -0.463398 0.765120 0.950173 -1.367818 0.387551 -0.980519 27O 5s 0.215194 -0.166013 -0.466382 0.666021 -0.223633 1.027828 27O 1pz 0.001839 -0.001885 -0.005044 0.003460 -0.002830 0.001704 27O 1px -0.010643 0.030277 0.022404 -0.039425 0.010575 -0.023067 27O 1py 0.000781 -0.006794 0.001424 0.005767 -0.003185 0.004329 27O 2pz -0.014555 0.004146 0.030022 -0.011611 0.014527 -0.008441 27O 2px 0.094621 -0.191341 -0.177429 0.266675 -0.068066 0.126426 27O 2py -0.007677 0.052455 0.005282 -0.055716 0.024233 -0.025197 27O 3pz 0.044459 -0.068109 0.027328 0.136718 -0.082355 0.156352 27O 3px 0.051569 -0.079901 0.054991 0.107032 -0.021974 -0.120075 27O 3py 0.003662 0.099406 -0.050332 -0.238168 0.045918 -0.186433 27O 1dz2 -0.000716 0.005854 0.001002 -0.007304 0.003545 -0.004891 27O 1dxz -0.001265 -0.000930 -0.000556 0.002360 0.001829 0.001883 27O 1dyz 0.003655 0.000704 -0.003303 -0.000270 -0.001332 0.001984 27O 1dx2y2 0.003281 -0.007715 -0.003867 0.011329 -0.001526 0.007884 27O 1dxy -0.000331 0.006470 0.001807 -0.008757 0.003599 -0.006580 27O 2dz2 0.014403 -0.042101 -0.021650 0.056308 -0.019291 0.029404 27O 2dxz 0.007496 0.004696 -0.004263 -0.010036 -0.008818 -0.007507 27O 2dyz -0.011738 -0.003962 0.007387 0.002162 0.004962 -0.006112 27O 2dx2y2 -0.027849 0.056325 0.040463 -0.083098 0.015439 -0.044210 27O 2dxy 0.004567 -0.043778 -0.015091 0.059413 -0.022547 0.035846 27O 1f0 -0.000264 -0.001240 -0.001748 0.001798 -0.001692 0.000307 27O 1f+1 -0.002337 0.010692 0.004905 -0.014926 0.003405 -0.009723 27O 1f-1 0.000242 -0.002704 -0.000596 0.004658 -0.000575 0.002405 27O 1f+2 0.000442 0.002095 -0.000366 -0.001242 0.001398 -0.002536 27O 1f-2 0.001963 0.002280 -0.004398 -0.003115 0.000878 -0.002842 27O 1f+3 -0.004422 0.010213 0.008386 -0.013613 0.003271 -0.008016 27O 1f-3 0.002016 -0.008048 -0.003823 0.012020 -0.004556 0.007530 28O 1s 0.583397 -0.583295 -0.480934 0.208645 0.679553 -0.493304 28O 2s -0.722629 0.722919 0.596262 -0.259897 -0.846589 0.614753 28O 3s 0.781478 -0.780365 -0.642252 0.290634 0.947179 -0.681226 28O 4s -1.180378 1.118145 0.933607 -0.434211 -1.417312 1.007667 28O 5s 0.487588 -0.322433 -0.455318 0.201265 0.697938 -1.041127 28O 1pz -0.015485 0.024382 0.008959 -0.008000 -0.023163 0.014736 28O 1px 0.025280 -0.031194 -0.020535 0.009855 0.033654 -0.019098 28O 1py -0.000214 0.002759 -0.002399 0.001252 -0.001681 0.001402 28O 2pz 0.138122 -0.175125 -0.085890 0.060240 0.174756 -0.084161 28O 2px -0.214638 0.210472 0.155661 -0.066168 -0.223868 0.107758 28O 2py 0.004035 -0.025638 0.006938 -0.003959 0.024200 -0.008733 28O 3pz 0.131314 -0.140272 0.065110 0.054926 0.255888 -0.092929 28O 3px -0.067145 0.038007 -0.021750 -0.009149 0.029806 -0.204278 28O 3py 0.028675 -0.077762 0.030515 0.078144 0.156624 -0.137673 28O 1dz2 -0.002288 -0.002295 -0.000242 0.003735 0.003386 -0.002936 28O 1dxz -0.008888 0.011910 0.003982 -0.003861 -0.013938 0.009932 28O 1dyz -0.006374 -0.001002 0.002081 -0.000938 0.003343 -0.000613 28O 1dx2y2 0.004036 -0.005640 -0.000763 0.002607 0.005627 -0.003371 28O 1dxy -0.004756 0.003245 0.002816 0.000263 -0.004181 0.003883 28O 2dz2 0.006578 0.017719 0.001900 -0.018226 -0.023128 0.015704 28O 2dxz 0.075725 -0.089661 -0.040815 0.030829 0.100776 -0.055963 28O 2dyz 0.015809 0.013747 -0.001392 0.001588 -0.022605 0.006927 28O 2dx2y2 -0.045747 0.046617 0.023209 -0.016585 -0.047138 0.022348 28O 2dxy 0.017167 -0.019040 -0.009194 -0.000615 0.025604 -0.017814 28O 1f0 -0.005498 0.006713 0.004346 -0.002266 -0.006236 0.004151 28O 1f+1 -0.007223 0.009252 0.004015 -0.004750 -0.010779 0.006940 28O 1f-1 -0.002691 -0.002031 0.003647 0.000582 0.003466 -0.003940 28O 1f+2 0.010542 -0.015003 -0.007864 0.004762 0.016770 -0.010071 28O 1f-2 -0.000481 0.003780 0.000412 -0.000802 -0.006409 0.003125 28O 1f+3 0.003904 -0.007857 -0.002611 0.002492 0.008556 -0.006063 28O 1f-3 -0.004514 0.001893 0.002883 0.000873 -0.001275 0.000536 29O 1s 0.037566 0.055824 -0.000283 0.006328 -0.008475 0.002073 29O 2s -0.046602 -0.069096 0.000360 -0.007898 0.010636 -0.002590 29O 3s 0.054012 0.068464 -0.000966 0.009923 -0.016887 0.003321 29O 4s -0.074211 -0.065209 0.001994 -0.013194 0.025171 -0.005419 29O 5s -0.013837 -0.012519 0.004866 -0.014766 0.059164 0.000944 29O 1pz -0.001420 0.001283 0.000538 0.001472 0.002033 -0.001461 29O 1px 0.000790 -0.003663 0.000050 0.001517 -0.001206 -0.000383 29O 1py -0.002471 -0.002525 0.000121 -0.001157 0.002126 -0.000015 29O 2pz 0.008902 -0.003948 -0.010085 -0.005834 -0.011427 0.012143 29O 2px -0.008638 0.011631 -0.002273 -0.008027 0.010451 0.003291 29O 2py 0.016219 0.009141 -0.000791 0.005086 -0.013646 0.000354 29O 3pz 0.018324 -0.017140 -0.004801 -0.029228 -0.025950 -0.006814 29O 3px -0.000520 0.023365 -0.002851 -0.008724 -0.013781 -0.002021 29O 3py 0.038242 -0.021616 -0.000818 0.029801 -0.048740 0.000677 29O 1dz2 0.000254 -0.000253 0.000298 0.001513 0.000552 -0.000152 29O 1dxz 0.001817 -0.001168 0.000288 -0.001968 -0.002802 -0.000206 29O 1dyz -0.000423 0.000053 0.001067 -0.001942 0.000267 -0.000755 29O 1dx2y2 -0.000714 0.000550 0.000301 -0.001627 0.000322 -0.000217 29O 1dxy 0.001212 -0.000427 0.000618 0.001800 -0.002700 -0.000453 29O 2dz2 -0.005912 0.000931 0.002008 -0.003779 0.003725 -0.002066 29O 2dxz -0.007820 0.003500 -0.002268 0.003152 0.009590 0.001998 29O 2dyz -0.000705 0.000330 0.001843 0.007400 0.001869 -0.001953 29O 2dx2y2 0.002782 -0.003034 -0.001292 0.004240 -0.002012 0.001056 29O 2dxy 0.000296 0.001073 -0.000037 -0.002527 0.004010 -0.000175 29O 1f0 0.002306 0.000976 -0.000696 0.000568 -0.001701 0.000396 29O 1f+1 -0.001199 -0.000377 -0.000261 0.000719 0.001341 0.000068 29O 1f-1 0.002354 0.000195 -0.000666 -0.000107 -0.001925 0.000487 29O 1f+2 -0.000988 -0.000657 0.000023 -0.001168 0.000304 0.000024 29O 1f-2 0.000858 0.000370 0.000857 0.000711 -0.000144 -0.000525 29O 1f+3 -0.001187 0.000076 -0.000084 0.000125 0.001207 -0.000040 29O 1f-3 -0.000559 -0.000488 -0.000574 -0.001326 0.000859 0.000363 30O 1s -0.326506 -0.539716 0.492239 0.678706 -0.212440 0.494488 30O 2s 0.404437 0.668909 -0.610284 -0.845416 0.264672 -0.616227 30O 3s -0.436579 -0.721139 0.657246 0.944561 -0.296517 0.682446 30O 4s 0.647485 1.025315 -0.954037 -1.406463 0.444010 -1.007930 30O 5s -0.236386 -0.301301 0.466269 0.674079 -0.207958 1.056190 30O 1pz 0.008053 0.017683 -0.008465 -0.018781 0.004308 -0.010980 30O 1px -0.014069 -0.026740 0.020673 0.031504 -0.010271 0.017586 30O 1py -0.007925 -0.018690 0.006480 0.018022 -0.006817 0.011670 30O 2pz -0.066176 -0.123843 0.074781 0.137720 -0.033197 0.062215 30O 2px 0.111152 0.173785 -0.152095 -0.204009 0.067627 -0.097939 30O 2py 0.066025 0.133114 -0.065989 -0.139756 0.052228 -0.065888 30O 3pz -0.088713 -0.081834 -0.042109 0.154573 -0.081803 0.037069 30O 3px 0.023628 0.001725 0.015543 0.063724 -0.016775 0.241137 30O 3py 0.040097 0.127338 0.057931 -0.254496 0.049580 -0.115750 30O 1dz2 0.000204 0.000379 0.001388 -0.000214 0.003392 0.000633 30O 1dxz 0.003631 0.007529 -0.002828 -0.008911 0.002441 -0.006322 30O 1dyz -0.000429 0.006091 0.000285 -0.008825 0.001310 -0.004635 30O 1dx2y2 -0.001151 -0.000614 -0.000199 0.000082 0.001338 -0.000984 30O 1dxy -0.005785 -0.008899 0.004625 0.010328 -0.004022 0.008493 30O 2dz2 -0.006536 -0.008292 0.003587 0.006970 -0.016360 0.000416 30O 2dxz -0.032824 -0.056078 0.030309 0.067184 -0.017500 0.035734 30O 2dyz -0.012585 -0.048908 0.015912 0.062760 -0.014614 0.029376 30O 2dx2y2 0.011379 0.007536 -0.010213 -0.005465 -0.003303 0.002188 30O 2dxy 0.037034 0.063063 -0.034327 -0.074322 0.028434 -0.044753 30O 1f0 0.002931 0.009741 -0.001898 -0.011566 0.003513 -0.008616 30O 1f+1 0.002090 0.000913 -0.001913 -0.000975 -0.001397 -0.000339 30O 1f-1 0.000452 0.001692 0.001019 -0.002939 0.000838 -0.002114 30O 1f+2 -0.002623 -0.003991 0.004948 0.003883 -0.000737 0.001404 30O 1f-2 -0.005945 -0.013695 0.006343 0.017939 -0.005139 0.010368 30O 1f+3 0.001775 0.002282 -0.002925 -0.003051 0.002013 -0.001032 30O 1f-3 -0.005470 -0.009253 0.007068 0.009351 -0.004055 0.006038 31O 1s -0.324724 -0.545068 -0.488510 -0.676040 0.206411 0.500231 31O 2s 0.402229 0.675540 0.605659 0.842094 -0.257164 -0.623386 31O 3s -0.434239 -0.728257 -0.652222 -0.940881 0.288303 0.690504 31O 4s 0.644146 1.035733 0.946735 1.401124 -0.432199 -1.020151 31O 5s -0.234027 -0.306310 -0.464108 -0.669826 0.193535 1.061716 31O 1pz -0.008015 -0.017817 -0.008351 -0.018725 0.004171 0.011130 31O 1px 0.013997 0.026970 0.020492 0.031405 -0.010064 -0.017869 31O 1py 0.007895 0.018785 0.006361 0.017913 -0.006665 -0.011829 31O 2pz 0.065955 0.124841 0.073961 0.137348 -0.032584 -0.063347 31O 2px -0.110702 -0.175433 -0.150844 -0.203428 0.066732 0.099833 31O 2py -0.065824 -0.133944 -0.065097 -0.139136 0.051510 0.067193 31O 3pz 0.088867 0.081650 -0.042473 0.154307 -0.081654 -0.038597 31O 3px -0.023894 -0.001587 0.015691 0.062726 -0.013095 -0.241591 31O 3py -0.040149 -0.127201 0.058957 -0.253911 0.048657 0.117570 31O 1dz2 0.000209 0.000371 -0.001381 0.000226 -0.003393 0.000588 31O 1dxz 0.003626 0.007564 0.002779 0.008876 -0.002377 -0.006382 31O 1dyz -0.000426 0.006091 -0.000319 0.008792 -0.001246 -0.004688 31O 1dx2y2 -0.001144 -0.000618 0.000209 -0.000083 -0.001319 -0.001003 31O 1dxy -0.005767 -0.008944 -0.004555 -0.010272 0.003937 0.008593 31O 2dz2 -0.006523 -0.008333 -0.003542 -0.006970 0.016350 0.000667 31O 2dxz -0.032759 -0.056442 -0.029941 -0.066957 0.017176 0.036238 31O 2dyz -0.012555 -0.049097 -0.015608 -0.062538 0.014273 0.029834 31O 2dx2y2 0.011337 0.007660 0.010133 0.005469 0.003197 0.002196 31O 2dxy 0.036927 0.063435 0.033854 0.073988 -0.028005 -0.045465 31O 1f0 -0.002918 -0.009776 -0.001834 -0.011503 0.003407 0.008709 31O 1f+1 -0.002086 -0.000938 -0.001909 -0.000984 -0.001392 0.000328 31O 1f-1 -0.000457 -0.001688 0.001019 -0.002928 0.000806 0.002133 31O 1f+2 0.002613 0.004041 0.004922 0.003886 -0.000727 -0.001438 31O 1f-2 0.005919 0.013770 0.006255 0.017862 -0.005012 -0.010507 31O 1f+3 -0.001762 -0.002307 -0.002902 -0.003042 0.002002 0.001068 31O 1f-3 0.005450 0.009325 0.007006 0.009316 -0.003992 -0.006133 32O 1s 0.036569 0.056125 -0.000253 -0.006693 0.007861 0.002433 32O 2s -0.045367 -0.069467 0.000304 0.008346 -0.009872 -0.003041 32O 3s 0.052747 0.068803 0.000368 -0.010034 0.016139 0.003934 32O 4s -0.072545 -0.065682 -0.001469 0.012863 -0.024257 -0.006357 32O 5s -0.015673 -0.011172 -0.005744 0.011296 -0.060742 0.000170 32O 1pz 0.001364 -0.001311 0.000554 0.001515 0.001977 0.001479 32O 1px -0.000810 0.003651 0.000021 0.001472 -0.001238 0.000336 32O 1py 0.002471 0.002510 0.000136 -0.001062 0.002150 0.000115 32O 2pz -0.008242 0.004027 -0.010137 -0.006318 -0.010770 -0.012240 32O 2px 0.008946 -0.011710 -0.002037 -0.007497 0.010859 -0.002930 32O 2py -0.016327 -0.008982 -0.001146 0.004121 -0.013954 -0.001030 32O 3pz -0.017599 0.016435 -0.005036 -0.029610 -0.025575 0.006514 32O 3px 0.000572 -0.023455 -0.002637 -0.008461 -0.013589 0.001780 32O 3py -0.038679 0.022016 -0.001494 0.028351 -0.049304 -0.001364 32O 1dz2 0.000259 -0.000264 -0.000333 -0.001467 -0.000549 -0.000168 32O 1dxz 0.001819 -0.001162 -0.000277 0.002023 0.002817 -0.000176 32O 1dyz -0.000442 0.000041 -0.001054 0.001956 -0.000250 -0.000761 32O 1dx2y2 -0.000706 0.000547 -0.000326 0.001580 -0.000337 -0.000233 32O 1dxy 0.001207 -0.000419 -0.000626 -0.001841 0.002694 -0.000412 32O 2dz2 -0.005812 0.000970 -0.001783 0.003462 -0.003636 -0.001961 32O 2dxz -0.007936 0.003523 0.002284 -0.003418 -0.009761 0.001928 32O 2dyz -0.000682 0.000306 -0.001959 -0.007535 -0.001921 -0.002027 32O 2dx2y2 0.002747 -0.003048 0.001485 -0.003965 0.002068 0.001209 32O 2dxy 0.000341 0.000987 0.000189 0.002919 -0.003896 -0.000119 32O 1f0 -0.002151 -0.000969 -0.000674 0.000505 -0.001581 -0.000395 32O 1f+1 0.001309 0.000386 -0.000260 0.000682 0.001431 -0.000062 32O 1f-1 -0.002419 -0.000201 -0.000696 -0.000240 -0.002002 -0.000533 32O 1f+2 0.001047 0.000669 0.000028 -0.001145 0.000350 -0.000004 32O 1f-2 -0.000849 -0.000322 0.000848 0.000627 -0.000172 0.000516 32O 1f+3 0.001176 -0.000112 -0.000051 0.000223 0.001218 0.000088 32O 1f-3 0.000551 0.000470 -0.000580 -0.001307 0.000865 -0.000338 33O 1s 0.583147 -0.581702 0.486074 -0.209227 -0.672238 -0.501705 33O 2s -0.722317 0.720943 -0.602635 0.260621 0.837476 0.625223 33O 3s 0.781125 -0.778287 0.649162 -0.291414 -0.937107 -0.693002 33O 4s -1.179812 1.115443 -0.943746 0.435383 1.402612 1.025556 33O 5s 0.487885 -0.320604 0.459272 -0.202975 -0.683203 -1.049779 33O 1pz 0.015477 -0.024352 0.009132 -0.008012 -0.022920 -0.015003 33O 1px -0.025285 0.031167 -0.020792 0.009879 0.033422 0.019546 33O 1py 0.000229 -0.002823 -0.002370 0.001234 -0.001716 -0.001471 33O 2pz -0.137932 0.174864 -0.087181 0.060275 0.173323 0.086280 33O 2px 0.214602 -0.210336 0.157555 -0.066278 -0.222572 -0.110794 33O 2py -0.004204 0.026013 0.006657 -0.003831 0.024471 0.009316 33O 3pz -0.131238 0.140455 0.063780 0.054354 0.253979 0.096330 33O 3px 0.067057 -0.038416 -0.021410 -0.008475 0.027249 0.204698 33O 3py -0.028891 0.078086 0.029935 0.078428 0.154532 0.139198 33O 1dz2 -0.002276 -0.002275 0.000252 -0.003760 -0.003308 -0.002947 33O 1dxz -0.008866 0.011891 -0.004073 0.003864 0.013774 0.010108 33O 1dyz -0.006373 -0.001013 -0.002103 0.000922 -0.003366 -0.000669 33O 1dx2y2 0.004054 -0.005665 0.000817 -0.002606 -0.005573 -0.003430 33O 1dxy -0.004758 0.003252 -0.002846 -0.000242 0.004150 0.003945 33O 2dz2 0.006601 0.017550 -0.001948 0.018288 0.022660 0.015829 33O 2dxz 0.075604 -0.089542 0.041521 -0.030831 -0.099853 -0.057234 33O 2dyz 0.015763 0.013813 0.001367 -0.001487 0.022668 0.007288 33O 2dx2y2 -0.045809 0.046687 -0.023676 0.016563 0.046824 0.022942 33O 2dxy 0.017236 -0.019152 0.009382 0.000495 -0.025533 -0.018223 33O 1f0 0.005499 -0.006728 0.004398 -0.002277 -0.006213 -0.004253 33O 1f+1 0.007203 -0.009201 0.004068 -0.004746 -0.010614 -0.007034 33O 1f-1 0.002681 0.002049 0.003643 0.000600 0.003410 0.003985 33O 1f+2 -0.010540 0.014981 -0.007987 0.004764 0.016613 0.010280 33O 1f-2 0.000497 -0.003805 0.000441 -0.000827 -0.006399 -0.003229 33O 1f+3 -0.003919 0.007858 -0.002683 0.002490 0.008474 0.006167 33O 1f-3 0.004527 -0.001914 0.002919 0.000858 -0.001305 -0.000578 34O 1s 0.226779 -0.410774 0.492553 -0.661077 0.181596 0.489101 34O 2s -0.280902 0.509132 -0.610680 0.823469 -0.226224 -0.609532 34O 3s 0.303600 -0.548229 0.657342 -0.919448 0.251893 0.675014 34O 4s -0.461176 0.759704 -0.952871 1.360584 -0.371245 -0.991424 34O 5s 0.215092 -0.162767 0.467014 -0.659949 0.208286 1.033429 34O 1pz -0.001832 0.001852 -0.005056 0.003433 -0.002800 -0.001761 34O 1px 0.010581 -0.030175 0.022524 -0.039255 0.010188 0.023376 34O 1py -0.000785 0.006823 0.001380 0.005753 -0.003128 -0.004404 34O 2pz 0.014510 -0.003932 0.030054 -0.011479 0.014356 0.008701 34O 2px -0.094030 0.190380 -0.178065 0.265609 -0.065752 -0.128447 34O 2py 0.007639 -0.052577 0.005589 -0.055639 0.023880 0.025817 34O 3pz -0.044650 0.068565 0.026853 0.135320 -0.080285 -0.158237 34O 3px -0.051302 0.080499 0.054810 0.106858 -0.023431 0.119330 34O 3py -0.003588 -0.100340 -0.050185 -0.236803 0.043062 0.188109 34O 1dz2 -0.000717 0.005863 -0.001036 0.007267 -0.003474 -0.004978 34O 1dxz -0.001265 -0.000927 0.000555 -0.002362 -0.001856 0.001872 34O 1dyz 0.003643 0.000728 0.003287 0.000293 0.001290 0.002008 34O 1dx2y2 0.003269 -0.007697 0.003891 -0.011258 0.001384 0.007939 34O 1dxy -0.000326 0.006490 -0.001837 0.008739 -0.003506 -0.006671 34O 2dz2 0.014328 -0.042039 0.021832 -0.056073 0.018811 0.029925 34O 2dxz 0.007477 0.004739 0.004258 0.010039 0.008908 -0.007445 34O 2dyz -0.011706 -0.004017 -0.007334 -0.002235 -0.004836 -0.006188 34O 2dx2y2 -0.027700 0.056097 -0.040631 0.082654 -0.014625 -0.044722 34O 2dxy 0.004506 -0.043855 0.015288 -0.059302 0.022007 0.036440 34O 1f0 0.000267 0.001236 -0.001757 0.001803 -0.001685 -0.000341 34O 1f+1 0.002323 -0.010679 0.004948 -0.014861 0.003253 0.009833 34O 1f-1 -0.000238 0.002715 -0.000605 0.004649 -0.000538 -0.002439 34O 1f+2 -0.000443 -0.002103 -0.000352 -0.001233 0.001362 0.002563 34O 1f-2 -0.001947 -0.002323 -0.004378 -0.003087 0.000847 0.002865 34O 1f+3 0.004400 -0.010156 0.008431 -0.013534 0.003134 0.008108 34O 1f-3 -0.002001 0.008053 -0.003857 0.011992 -0.004435 -0.007655 35O 1s -0.688655 -0.364537 -0.509000 -0.187007 -0.661429 -0.499641 35O 2s 0.853044 0.451834 0.631089 0.232939 0.824066 0.622685 35O 3s -0.920636 -0.485846 -0.679517 -0.259295 -0.922027 -0.689876 35O 4s 1.369560 0.664593 0.985230 0.381493 1.365925 1.013570 35O 5s -0.541510 -0.134965 -0.484820 -0.216021 -0.634531 -1.047588 35O 1pz 0.000607 -0.003147 0.004041 -0.001631 -0.000947 -0.001693 35O 1px -0.034318 -0.025698 -0.022805 -0.011090 -0.037031 -0.022403 35O 1py -0.012792 -0.011606 -0.006257 -0.002412 -0.015143 -0.009301 35O 2pz 0.000223 0.030260 -0.015295 0.015117 0.024914 0.011241 35O 2px 0.279705 0.154382 0.177042 0.070223 0.249035 0.123501 35O 2py 0.106598 0.076575 0.057818 0.018834 0.113176 0.052451 35O 3pz 0.080641 0.099910 -0.047196 0.045970 0.242729 0.218782 35O 3px 0.127774 0.041944 -0.044096 -0.010355 0.086815 -0.154013 35O 3py 0.071689 0.073237 -0.046746 0.075265 0.170333 0.080961 35O 1dz2 0.009650 0.004105 0.003748 0.000262 0.007533 0.005882 35O 1dxz -0.002375 -0.004146 -0.002244 -0.003416 -0.005491 -0.005665 35O 1dyz 0.006313 -0.003060 0.002340 -0.000287 -0.003033 -0.000334 35O 1dx2y2 -0.005924 -0.004337 -0.001661 -0.003989 -0.006064 -0.004077 35O 1dxy -0.005795 -0.007721 -0.002455 -0.001877 -0.011466 -0.008010 35O 2dz2 -0.063362 -0.029852 -0.028362 -0.007912 -0.053418 -0.031294 35O 2dxz 0.012147 0.026787 0.008244 0.018530 0.036302 0.027980 35O 2dyz -0.015073 0.018195 -0.002928 0.004361 0.020069 0.006185 35O 2dx2y2 0.060869 0.032289 0.028901 0.023662 0.051212 0.026298 35O 2dxy 0.059343 0.052698 0.030611 0.014815 0.082801 0.045487 35O 1f0 -0.002688 -0.002361 -0.000980 -0.002551 -0.004121 -0.002621 35O 1f+1 -0.011571 -0.007035 -0.007371 -0.003117 -0.010300 -0.006812 35O 1f-1 -0.004761 -0.002983 -0.004340 -0.001348 -0.006165 -0.001992 35O 1f+2 0.005099 -0.000043 0.003525 0.000302 0.001518 -0.000095 35O 1f-2 -0.000561 0.004527 -0.001969 0.002251 0.007009 0.005043 35O 1f+3 -0.004192 -0.004209 -0.002888 -0.002879 -0.005252 -0.003702 35O 1f-3 -0.012469 -0.012521 -0.006636 -0.004274 -0.019108 -0.012443 768 769 45.33192 45.94804 0.00000 0.00000 -------- -------- 0Rh 1s -0.424130 0.437408 0Rh 2s -2.460761 2.547811 0Rh 3s -4.171922 4.308509 0Rh 4s 7.296573 -7.579230 0Rh 5s -3.982237 4.248548 0Rh 6s 2.145291 -2.408651 0Rh 7s -1.782792 2.511823 0Rh 8s 0.081334 0.533845 0Rh 1pz 0.000081 0.000772 0Rh 1px -0.000529 -0.002451 0Rh 1py -0.000125 -0.000435 0Rh 2pz -0.000402 -0.003580 0Rh 2px 0.002545 0.011371 0Rh 2py 0.000598 0.002012 0Rh 3pz 0.002444 0.017173 0Rh 3px -0.014140 -0.054613 0Rh 3py -0.003281 -0.009583 0Rh 4pz -0.005632 -0.033266 0Rh 4px 0.032381 0.105989 0Rh 4py 0.007662 0.018167 0Rh 5pz 0.002135 0.021345 0Rh 5px -0.029318 -0.068685 0Rh 5py -0.010666 -0.008749 0Rh 6pz 0.131028 0.411335 0Rh 6px -0.282246 -1.233431 0Rh 6py 0.096604 -0.302055 0Rh 1dz2 -0.000977 0.000063 0Rh 1dxz -0.001151 -0.000175 0Rh 1dyz -0.000386 0.000140 0Rh 1dx2y2 0.001838 -0.000036 0Rh 1dxy 0.001143 -0.000365 0Rh 2dz2 0.003490 -0.000236 0Rh 2dxz 0.004133 0.000578 0Rh 2dyz 0.001347 -0.000481 0Rh 2dx2y2 -0.006580 0.000149 0Rh 2dxy -0.004002 0.001256 0Rh 3dz2 -0.008322 0.000538 0Rh 3dxz -0.009990 -0.001210 0Rh 3dyz -0.003038 0.001009 0Rh 3dx2y2 0.015779 -0.000284 0Rh 3dxy 0.009085 -0.002626 0Rh 4dz2 0.021902 -0.000974 0Rh 4dxz 0.027090 0.002521 0Rh 4dyz 0.007045 -0.001823 0Rh 4dx2y2 -0.042097 -0.000081 0Rh 4dxy -0.021382 0.004593 0Rh 5dz2 -0.102467 0.003168 0Rh 5dxz -0.132300 -0.005998 0Rh 5dyz -0.027500 0.004332 0Rh 5dx2y2 0.201745 0.001581 0Rh 5dxy 0.084708 -0.008898 0Rh 1f0 -0.003578 -0.003847 0Rh 1f+1 0.003244 0.002838 0Rh 1f-1 0.001571 -0.000158 0Rh 1f+2 0.005545 0.004217 0Rh 1f-2 0.002416 0.001408 0Rh 1f+3 0.006085 0.005320 0Rh 1f-3 0.003350 0.003498 1Rh 1s -0.424580 -0.436962 1Rh 2s -2.463373 -2.545214 1Rh 3s -4.176349 -4.304116 1Rh 4s 7.304323 7.571509 1Rh 5s -3.986492 -4.244247 1Rh 6s 2.147608 2.406242 1Rh 7s -1.784907 -2.509449 1Rh 8s 0.080672 -0.533783 1Rh 1pz -0.000077 0.000773 1Rh 1px 0.000530 -0.002448 1Rh 1py 0.000119 -0.000435 1Rh 2pz 0.000385 -0.003585 1Rh 2px -0.002547 0.011356 1Rh 2py -0.000571 0.002016 1Rh 3pz -0.002366 0.017184 1Rh 3px 0.014150 -0.054545 1Rh 3py 0.003154 -0.009600 1Rh 4pz 0.005508 -0.033248 1Rh 4px -0.032399 0.105860 1Rh 4py -0.007409 0.018195 1Rh 5pz -0.002133 0.021244 1Rh 5px 0.029371 -0.068561 1Rh 5py 0.010392 -0.008777 1Rh 6pz -0.131428 0.408576 1Rh 6px 0.279918 -1.234832 1Rh 6py -0.094972 -0.300732 1Rh 1dz2 -0.000978 -0.000056 1Rh 1dxz -0.001151 0.000174 1Rh 1dyz -0.000387 -0.000140 1Rh 1dx2y2 0.001836 0.000029 1Rh 1dxy 0.001134 0.000362 1Rh 2dz2 0.003491 0.000212 1Rh 2dxz 0.004135 -0.000571 1Rh 2dyz 0.001351 0.000481 1Rh 2dx2y2 -0.006572 -0.000123 1Rh 2dxy -0.003973 -0.001244 1Rh 3dz2 -0.008325 -0.000484 1Rh 3dxz -0.009993 0.001197 1Rh 3dyz -0.003050 -0.001012 1Rh 3dx2y2 0.015760 0.000227 1Rh 3dxy 0.009023 0.002600 1Rh 4dz2 0.021907 0.000867 1Rh 4dxz 0.027088 -0.002508 1Rh 4dyz 0.007085 0.001834 1Rh 4dx2y2 -0.042055 0.000205 1Rh 4dxy -0.021260 -0.004536 1Rh 5dz2 -0.102480 -0.002916 1Rh 5dxz -0.132174 0.006079 1Rh 5dyz -0.027640 -0.004393 1Rh 5dx2y2 0.201601 -0.001949 1Rh 5dxy 0.084350 0.008725 1Rh 1f0 0.003586 -0.003829 1Rh 1f+1 -0.003233 0.002846 1Rh 1f-1 -0.001577 -0.000182 1Rh 1f+2 -0.005516 0.004254 1Rh 1f-2 -0.002383 0.001430 1Rh 1f+3 -0.006095 0.005300 1Rh 1f-3 -0.003349 0.003493 2C 1s -0.000489 0.001223 2C 2s 0.000552 -0.002450 2C 3s 0.076177 0.007235 2C 4s -0.432367 -0.013147 2C 5s 0.086949 0.137387 2C 1pz 0.006044 -0.000127 2C 1px -0.000521 0.001888 2C 1py 0.004865 0.000522 2C 2pz -0.180651 -0.001760 2C 2px -0.027876 -0.011192 2C 2py -0.130551 -0.003241 2C 3pz -0.001969 0.031230 2C 3px -0.077205 -0.046831 2C 3py 0.015838 0.002970 2C 1dz2 -0.005780 -0.003237 2C 1dxz -0.001740 0.003812 2C 1dyz -0.010076 0.001213 2C 1dx2y2 0.001471 0.002814 2C 1dxy -0.002566 0.003435 2C 2dz2 -0.038134 0.008198 2C 2dxz -0.030967 -0.008356 2C 2dyz -0.051003 -0.013514 2C 2dx2y2 0.018974 -0.016743 2C 2dxy -0.010388 -0.010949 2C 1f0 -0.003413 0.002070 2C 1f+1 -0.002976 -0.002776 2C 1f-1 -0.016177 0.001035 2C 1f+2 0.008384 -0.000487 2C 1f-2 -0.007861 -0.002942 2C 1f+3 -0.001191 -0.002299 2C 1f-3 0.000356 0.000683 3C 1s -0.000428 0.000915 3C 2s 0.000432 -0.001822 3C 3s 0.075946 0.002603 3C 4s -0.434142 0.006476 3C 5s 0.087860 0.145984 3C 1pz 0.005467 -0.000911 3C 1px 0.001409 0.001543 3C 1py -0.005382 0.000508 3C 2pz -0.125249 0.011340 3C 2px -0.064893 -0.005726 3C 2py 0.180161 -0.009394 3C 3pz 0.052421 0.032276 3C 3px -0.030945 -0.044458 3C 3py 0.026349 -0.031171 3C 1dz2 0.002826 -0.001577 3C 1dxz -0.002106 0.000006 3C 1dyz 0.009350 0.000884 3C 1dx2y2 0.004858 0.003345 3C 1dxy 0.005074 -0.005560 3C 2dz2 0.010578 0.006146 3C 2dxz -0.019552 0.010863 3C 2dyz 0.039726 0.000246 3C 2dx2y2 0.048138 -0.014557 3C 2dxy 0.036916 0.018032 3C 1f0 0.009430 0.000483 3C 1f+1 0.000505 0.001093 3C 1f-1 -0.000293 -0.001566 3C 1f+2 0.012965 -0.003172 3C 1f-2 0.009197 0.002280 3C 1f+3 -0.007357 -0.001868 3C 1f-3 0.004117 -0.002577 4C 1s 0.001829 0.000351 4C 2s -0.004070 -0.000680 4C 3s -0.114534 -0.003153 4C 4s 0.513312 0.033577 4C 5s -0.040697 -0.068727 4C 1pz 0.017047 0.002739 4C 1px 0.004366 -0.012068 4C 1py 0.011270 -0.002434 4C 2pz -0.139325 -0.106171 4C 2px -0.056886 0.346719 4C 2py -0.101714 0.064849 4C 3pz -0.253646 0.063899 4C 3px -0.004458 -0.097955 4C 3py -0.176077 -0.001007 4C 1dz2 -0.004320 -0.004392 4C 1dxz -0.005301 0.008423 4C 1dyz -0.000661 0.000239 4C 1dx2y2 0.009544 0.000409 4C 1dxy 0.002944 0.006605 4C 2dz2 0.036117 -0.066049 4C 2dxz -0.038047 0.098458 4C 2dyz 0.097036 -0.003786 4C 2dx2y2 0.044362 0.015980 4C 2dxy 0.043381 0.080825 4C 1f0 -0.012853 -0.002266 4C 1f+1 -0.025985 0.004871 4C 1f-1 -0.018224 -0.010350 4C 1f+2 0.027539 -0.009369 4C 1f-2 -0.006388 0.015022 4C 1f+3 0.001518 -0.007306 4C 1f-3 -0.019966 -0.013449 5C 1s 0.001616 0.000849 5C 2s -0.003630 -0.001754 5C 3s -0.110888 0.001222 5C 4s 0.490560 0.015136 5C 5s -0.060957 -0.028702 5C 1pz 0.010159 0.003298 5C 1px 0.005635 -0.012192 5C 1py -0.017410 -0.001750 5C 2pz -0.093022 -0.105358 5C 2px -0.049743 0.362086 5C 2py 0.157670 0.051056 5C 3pz -0.164514 0.066249 5C 3px -0.120124 -0.068783 5C 3py 0.245397 -0.076271 5C 1dz2 -0.004355 -0.004094 5C 1dxz -0.006889 0.004772 5C 1dyz -0.000892 0.004018 5C 1dx2y2 0.007887 0.004684 5C 1dxy 0.002778 -0.008797 5C 2dz2 -0.056695 -0.039151 5C 2dxz -0.006360 0.042875 5C 2dyz -0.101531 0.047320 5C 2dx2y2 0.012887 0.080083 5C 2dxy -0.034895 -0.098092 5C 1f0 0.000778 0.008747 5C 1f+1 -0.015523 -0.011652 5C 1f-1 0.003132 0.008371 5C 1f+2 0.012186 0.001109 5C 1f-2 0.023682 -0.018918 5C 1f+3 -0.026835 -0.004213 5C 1f-3 0.023573 0.007094 6C 1s 0.001656 -0.000876 6C 2s -0.003717 0.001810 6C 3s -0.111509 -0.000786 6C 4s 0.494909 -0.018218 6C 5s -0.060478 0.029173 6C 1pz -0.010150 0.003308 6C 1px -0.005662 -0.012169 6C 1py 0.017383 -0.001733 6C 2pz 0.091668 -0.104456 6C 2px 0.050788 0.359922 6C 2py -0.155875 0.050037 6C 3pz 0.163526 0.067844 6C 3px 0.119913 -0.069961 6C 3py -0.244716 -0.078211 6C 1dz2 -0.004408 0.004077 6C 1dxz -0.006987 -0.004694 6C 1dyz -0.000982 -0.003938 6C 1dx2y2 0.007935 -0.004647 6C 1dxy 0.002847 0.008686 6C 2dz2 -0.057026 0.039435 6C 2dxz -0.007272 -0.042190 6C 2dyz -0.101840 -0.046898 6C 2dx2y2 0.013640 -0.080383 6C 2dxy -0.034135 0.097483 6C 1f0 -0.000676 0.008686 6C 1f+1 0.015594 -0.011664 6C 1f-1 -0.003102 0.008359 6C 1f+2 -0.012188 0.001140 6C 1f-2 -0.023843 -0.018736 6C 1f+3 0.026920 -0.004243 6C 1f-3 -0.023699 0.007203 7C 1s 0.001853 -0.000365 7C 2s -0.004121 0.000707 7C 3s -0.115208 0.002999 7C 4s 0.517648 -0.033217 7C 5s -0.039945 0.070843 7C 1pz -0.017003 0.002721 7C 1px -0.004340 -0.012055 7C 1py -0.011304 -0.002426 7C 2pz 0.137966 -0.105716 7C 2px 0.056322 0.344896 7C 2py 0.101328 0.064247 7C 3pz 0.252565 0.064000 7C 3px 0.003577 -0.099495 7C 3py 0.174883 -0.001501 7C 1dz2 -0.004390 0.004335 7C 1dxz -0.005344 -0.008354 7C 1dyz -0.000605 -0.000270 7C 1dx2y2 0.009597 -0.000364 7C 1dxy 0.002985 -0.006537 7C 2dz2 0.035465 0.065679 7C 2dxz -0.038767 -0.097966 7C 2dyz 0.097194 0.004020 7C 2dx2y2 0.045065 -0.015880 7C 2dxy 0.043675 -0.080833 7C 1f0 0.012843 -0.002246 7C 1f+1 0.026072 0.004879 7C 1f-1 0.018229 -0.010354 7C 1f+2 -0.027680 -0.009315 7C 1f-2 0.006415 0.015012 7C 1f+3 -0.001522 -0.007252 7C 1f-3 0.020151 -0.013348 8C 1s -0.000416 -0.000941 8C 2s 0.000409 0.001875 8C 3s 0.075981 -0.002807 8C 4s -0.433684 -0.006002 8C 5s 0.089497 -0.150267 8C 1pz -0.005445 -0.000911 8C 1px -0.001386 0.001561 8C 1py 0.005418 0.000499 8C 2pz 0.124743 0.011281 8C 2px 0.064585 -0.005866 8C 2py -0.180031 -0.009240 8C 3pz -0.052308 0.032628 8C 3px 0.032203 -0.044196 8C 3py -0.025282 -0.031788 8C 1dz2 0.002828 0.001616 8C 1dxz -0.002101 -0.000021 8C 1dyz 0.009344 -0.000875 8C 1dx2y2 0.004859 -0.003383 8C 1dxy 0.005065 0.005539 8C 2dz2 0.010613 -0.006471 8C 2dxz -0.019514 -0.010775 8C 2dyz 0.039771 -0.000567 8C 2dx2y2 0.047795 0.014684 8C 2dxy 0.036942 -0.017918 8C 1f0 -0.009429 0.000521 8C 1f+1 -0.000546 0.001087 8C 1f-1 0.000263 -0.001537 8C 1f+2 -0.012960 -0.003155 8C 1f-2 -0.009208 0.002248 8C 1f+3 0.007325 -0.001883 8C 1f-3 -0.004135 -0.002552 9C 1s -0.000479 -0.001259 9C 2s 0.000531 0.002523 9C 3s 0.076264 -0.007434 9C 4s -0.432233 0.013570 9C 5s 0.088709 -0.140354 9C 1pz -0.006090 -0.000122 9C 1px 0.000536 0.001895 9C 1py -0.004822 0.000535 9C 2pz 0.180487 -0.001882 9C 2px 0.027685 -0.011263 9C 2py 0.130441 -0.003431 9C 3pz 0.000135 0.031480 9C 3px 0.077851 -0.046799 9C 3py -0.013695 0.003161 9C 1dz2 -0.005736 0.003228 9C 1dxz -0.001712 -0.003754 9C 1dyz -0.010104 -0.001192 9C 1dx2y2 0.001493 -0.002800 9C 1dxy -0.002558 -0.003544 9C 2dz2 -0.037525 -0.008055 9C 2dxz -0.030534 0.007966 9C 2dyz -0.051425 0.013579 9C 2dx2y2 0.019231 0.016602 9C 2dxy -0.010647 0.011647 9C 1f0 0.003267 0.002067 9C 1f+1 0.002906 -0.002762 9C 1f-1 0.016169 0.001003 9C 1f+2 -0.008571 -0.000525 9C 1f-2 0.007768 -0.002927 9C 1f+3 0.001230 -0.002317 9C 1f-3 -0.000357 0.000609 10H 1s -0.000327 -0.002501 10H 2s -0.006474 0.024878 10H 3s 0.023005 -0.012284 10H 1pz 0.006538 0.003597 10H 1px 0.000428 0.000132 10H 1py 0.003578 0.001386 11H 1s 0.007208 0.003113 11H 2s 0.002696 -0.027059 11H 3s -0.089312 -0.022013 11H 1pz 0.003299 -0.004145 11H 1px 0.006966 -0.002873 11H 1py -0.003574 -0.000811 12H 1s 0.004171 0.004410 12H 2s -0.010053 -0.035513 12H 3s -0.048219 -0.022961 12H 1pz 0.000290 -0.003227 12H 1px 0.004131 -0.003565 12H 1py 0.003058 -0.004422 13H 1s 0.000377 -0.003004 13H 2s -0.009908 0.027499 13H 3s 0.012465 -0.007994 13H 1pz 0.002704 0.001772 13H 1px 0.000854 0.000032 13H 1py -0.005691 -0.004311 14H 1s 0.003262 0.004646 14H 2s -0.014788 -0.035092 14H 3s -0.032292 -0.021300 14H 1pz 0.000265 -0.001881 14H 1px 0.003812 -0.004467 14H 1py -0.002111 0.003818 15H 1s 0.007945 0.002497 15H 2s 0.004319 -0.020749 15H 3s -0.095611 -0.020991 15H 1pz -0.006788 -0.000084 15H 1px 0.002917 -0.001656 15H 1py -0.004920 0.003767 16H 1s 0.012658 -0.009087 16H 2s -0.101765 0.112306 16H 3s 0.023150 -0.025297 16H 1pz -0.013181 0.027647 16H 1px 0.006052 -0.011359 16H 1py 0.003208 0.003574 17H 1s 0.012746 -0.009125 17H 2s -0.096167 0.108682 17H 3s 0.024611 -0.027531 17H 1pz 0.006542 -0.013317 17H 1px 0.012171 -0.025508 17H 1py 0.002590 0.006773 18H 1s 0.012778 0.009124 18H 2s -0.095543 -0.108359 18H 3s 0.024601 0.027484 18H 1pz -0.006508 -0.013519 18H 1px -0.011932 -0.025431 18H 1py -0.002957 0.006215 19H 1s 0.012663 0.009094 19H 2s -0.102192 -0.112471 19H 3s 0.023128 0.025219 19H 1pz 0.013262 0.027552 19H 1px -0.006186 -0.011526 19H 1py -0.002792 0.004144 20H 1s 0.007913 -0.002570 20H 2s 0.003928 0.021401 20H 3s -0.095485 0.021623 20H 1pz 0.006739 -0.000082 20H 1px -0.002994 -0.001710 20H 1py 0.004812 0.003874 21H 1s 0.003333 -0.004657 21H 2s -0.014739 0.035290 21H 3s -0.033455 0.021900 21H 1pz -0.000270 -0.001938 21H 1px -0.003851 -0.004504 21H 1py 0.002022 0.003822 22H 1s 0.000378 0.002959 22H 2s -0.009838 -0.027344 22H 3s 0.013062 0.008316 22H 1pz -0.002739 0.001763 22H 1px -0.000905 0.000069 22H 1py 0.005724 -0.004295 23H 1s 0.004303 -0.004401 23H 2s -0.009869 0.035595 23H 3s -0.050070 0.023541 23H 1pz -0.000128 -0.003195 23H 1px -0.004134 -0.003514 23H 1py -0.003142 -0.004530 24H 1s 0.007124 -0.003231 24H 2s 0.002084 0.027938 24H 3s -0.088416 0.022609 24H 1pz -0.003168 -0.004253 24H 1px -0.006963 -0.002989 24H 1py 0.003354 -0.000891 25H 1s -0.000342 0.002446 25H 2s -0.006222 -0.024601 25H 3s 0.023442 0.012599 25H 1pz -0.006573 0.003530 25H 1px -0.000420 0.000168 25H 1py -0.003662 0.001419 26O 1s 0.102339 0.032283 26O 2s -0.131132 -0.042084 26O 3s 0.192645 0.065746 26O 4s -0.466835 -0.062602 26O 5s 0.706963 -0.604830 26O 1pz -0.002455 0.008660 26O 1px -0.005100 -0.011740 26O 1py -0.003493 0.000908 26O 2pz -0.002248 -0.007336 26O 2px 0.054729 0.107564 26O 2py 0.019547 0.035164 26O 3pz 0.355855 -0.263785 26O 3px 0.080761 0.102712 26O 3py 0.238246 -0.115272 26O 1dz2 -0.004288 0.006405 26O 1dxz -0.004715 -0.001076 26O 1dyz -0.009968 0.010922 26O 1dx2y2 0.001300 0.000691 26O 1dxy -0.004779 0.002402 26O 2dz2 0.029586 -0.008593 26O 2dxz 0.013220 -0.002620 26O 2dyz 0.035626 -0.039991 26O 2dx2y2 -0.022096 -0.016517 26O 2dxy 0.000326 -0.025979 26O 1f0 -0.001161 -0.000282 26O 1f+1 0.001245 -0.004372 26O 1f-1 0.001697 -0.004364 26O 1f+2 -0.002215 0.001953 26O 1f-2 0.004928 -0.001862 26O 1f+3 -0.000619 -0.002493 26O 1f-3 -0.003257 -0.003629 27O 1s 0.094781 0.040813 27O 2s -0.121478 -0.053160 27O 3s 0.181268 0.082263 27O 4s -0.450556 -0.097875 27O 5s 0.639667 -0.577165 27O 1pz -0.001408 0.007306 27O 1px -0.007061 -0.010978 27O 1py 0.003650 -0.007289 27O 2pz -0.006514 -0.020125 27O 2px 0.069368 0.115773 27O 2py -0.008928 -0.005441 27O 3pz 0.178648 -0.161962 27O 3px 0.114139 0.084448 27O 3py -0.314821 0.215547 27O 1dz2 0.004053 -0.003485 27O 1dxz -0.003488 -0.000209 27O 1dyz 0.008381 -0.011360 27O 1dx2y2 0.003092 -0.003500 27O 1dxy 0.007605 -0.002939 27O 2dz2 0.000474 0.025623 27O 2dxz 0.016857 0.001338 27O 2dyz -0.031524 0.037767 27O 2dx2y2 -0.035227 -0.009678 27O 2dxy -0.017673 0.022579 27O 1f0 -0.001033 0.002945 27O 1f+1 -0.002842 -0.002845 27O 1f-1 0.001413 0.000819 27O 1f+2 -0.002220 0.001170 27O 1f-2 -0.004839 0.002787 27O 1f+3 0.001348 -0.006024 27O 1f-3 0.002407 0.002568 28O 1s 0.096808 -0.038105 28O 2s -0.124097 0.049602 28O 3s 0.186349 -0.074880 28O 4s -0.463623 0.076804 28O 5s 0.605040 0.535717 28O 1pz -0.006541 -0.001744 28O 1px 0.005707 -0.012897 28O 1py -0.001739 -0.006248 28O 2pz 0.044840 -0.048373 28O 2px -0.068347 0.092296 28O 2py 0.000365 0.005921 28O 3pz 0.318603 0.157308 28O 3px 0.050396 0.172042 28O 3py 0.231049 0.169213 28O 1dz2 -0.006304 -0.002818 28O 1dxz 0.000629 -0.002538 28O 1dyz -0.010681 -0.010722 28O 1dx2y2 0.001887 -0.000659 28O 1dxy -0.000866 -0.005457 28O 2dz2 0.021461 0.013476 28O 2dxz 0.025098 -0.013085 28O 2dyz 0.036103 0.039155 28O 2dx2y2 -0.024250 0.014021 28O 2dxy 0.006709 0.014360 28O 1f0 0.000476 0.002752 28O 1f+1 -0.001938 0.002018 28O 1f-1 0.006034 0.004023 28O 1f+2 0.000589 -0.005893 28O 1f-2 -0.002032 0.001025 28O 1f+3 0.001700 -0.001804 28O 1f-3 0.001466 0.000566 29O 1s 0.108455 0.033838 29O 2s -0.138945 -0.043877 29O 3s 0.184335 0.065388 29O 4s -0.349374 -0.094759 29O 5s 0.575988 0.008285 29O 1pz 0.002658 0.001661 29O 1px -0.006055 -0.006178 29O 1py 0.001836 -0.004930 29O 2pz -0.019982 0.007404 29O 2px 0.048301 -0.010275 29O 2py -0.011637 0.034841 29O 3pz 0.055429 0.007249 29O 3px -0.194179 0.002880 29O 3py -0.090085 0.053440 29O 1dz2 0.001401 -0.003136 29O 1dxz 0.003175 -0.005716 29O 1dyz 0.000718 -0.001376 29O 1dx2y2 -0.007069 0.010685 29O 1dxy -0.001912 0.003797 29O 2dz2 0.000858 -0.002053 29O 2dxz -0.004084 0.006577 29O 2dyz -0.000160 0.001602 29O 2dx2y2 0.013978 -0.023111 29O 2dxy 0.000645 -0.001157 29O 1f0 0.000191 0.004433 29O 1f+1 -0.000982 -0.001480 29O 1f-1 -0.002389 0.005030 29O 1f+2 -0.000293 -0.004065 29O 1f-2 -0.001387 0.002471 29O 1f+3 0.001617 -0.006592 29O 1f-3 -0.000452 -0.001736 30O 1s 0.102022 -0.030268 30O 2s -0.130730 0.039435 30O 3s 0.192392 -0.060192 30O 4s -0.467439 0.044733 30O 5s 0.707907 0.589495 30O 1pz -0.003929 0.000132 30O 1px 0.003942 -0.014012 30O 1py 0.003891 0.002814 30O 2pz 0.024367 -0.041501 30O 2px -0.051542 0.088397 30O 2py -0.020353 0.036608 30O 3pz 0.234209 0.090760 30O 3px 0.134415 0.217116 30O 3py -0.352782 -0.191194 30O 1dz2 0.000557 0.003714 30O 1dxz -0.001127 -0.002047 30O 1dyz 0.011009 0.009711 30O 1dx2y2 0.005624 0.000952 30O 1dxy 0.002499 0.006698 30O 2dz2 0.001231 -0.015644 30O 2dxz 0.021201 -0.008218 30O 2dyz -0.028855 -0.044652 30O 2dx2y2 -0.028179 0.000108 30O 2dxy -0.026799 -0.006656 30O 1f0 -0.004201 0.000199 30O 1f+1 0.001137 0.000431 30O 1f-1 -0.002566 -0.000838 30O 1f+2 -0.003388 -0.004771 30O 1f-2 0.002402 -0.004655 30O 1f+3 0.001330 0.001369 30O 1f-3 -0.001480 -0.004247 31O 1s 0.102858 0.029747 31O 2s -0.131803 -0.038756 31O 3s 0.193969 0.059050 31O 4s -0.470485 -0.042210 31O 5s 0.706151 -0.587557 31O 1pz 0.003945 0.000132 31O 1px -0.004020 -0.013959 31O 1py -0.003922 0.002832 31O 2pz -0.024846 -0.041150 31O 2px 0.052389 0.087665 31O 2py 0.020899 0.036203 31O 3pz -0.235728 0.092539 31O 3px -0.133163 0.216023 31O 3py 0.354605 -0.193804 31O 1dz2 0.000544 -0.003723 31O 1dxz -0.001186 0.002098 31O 1dyz 0.010968 -0.009680 31O 1dx2y2 0.005641 -0.000979 31O 1dxy 0.002546 -0.006766 31O 2dz2 0.001302 0.015634 31O 2dxz 0.021595 0.007874 31O 2dyz -0.028559 0.044406 31O 2dx2y2 -0.028291 0.000018 31O 2dxy -0.027179 0.007081 31O 1f0 0.004233 0.000170 31O 1f+1 -0.001129 0.000424 31O 1f-1 0.002575 -0.000844 31O 1f+2 0.003372 -0.004777 31O 1f-2 -0.002458 -0.004606 31O 1f+3 -0.001313 0.001351 31O 1f-3 0.001447 -0.004226 32O 1s 0.108427 -0.033857 32O 2s -0.138910 0.043902 32O 3s 0.184317 -0.065423 32O 4s -0.349384 0.094864 32O 5s 0.575679 -0.008680 32O 1pz -0.002626 0.001740 32O 1px 0.006044 -0.006159 32O 1py -0.001817 -0.004939 32O 2pz 0.019775 0.006638 32O 2px -0.048298 -0.010481 32O 2py 0.011575 0.034908 32O 3pz -0.055966 0.006615 32O 3px 0.193919 0.002485 32O 3py 0.090177 0.053385 32O 1dz2 0.001416 0.003143 32O 1dxz 0.003174 0.005705 32O 1dyz 0.000593 0.001273 32O 1dx2y2 -0.007097 -0.010681 32O 1dxy -0.001952 -0.003833 32O 2dz2 0.000827 0.002034 32O 2dxz -0.004110 -0.006507 32O 2dyz 0.000355 -0.000964 32O 2dx2y2 0.014058 0.023146 32O 2dxy 0.000826 0.001392 32O 1f0 -0.000278 0.004140 32O 1f+1 0.000942 -0.001681 32O 1f-1 0.002392 0.005128 32O 1f+2 0.000199 -0.004282 32O 1f-2 0.001435 0.002486 32O 1f+3 -0.001583 -0.006500 32O 1f-3 0.000429 -0.001749 33O 1s 0.097148 0.037790 33O 2s -0.124534 -0.049192 33O 3s 0.187015 0.074213 33O 4s -0.464845 -0.075293 33O 5s 0.602650 -0.536150 33O 1pz 0.006558 -0.001766 33O 1px -0.005755 -0.012887 33O 1py 0.001717 -0.006207 33O 2pz -0.045166 -0.048125 33O 2px 0.068895 0.092095 33O 2py -0.000395 0.005683 33O 3pz -0.318994 0.158749 33O 3px -0.049186 0.171466 33O 3py -0.231533 0.170534 33O 1dz2 -0.006296 0.002805 33O 1dxz 0.000611 0.002576 33O 1dyz -0.010656 0.010742 33O 1dx2y2 0.001898 0.000645 33O 1dxy -0.000868 0.005472 33O 2dz2 0.021458 -0.013376 33O 2dxz 0.025307 0.012854 33O 2dyz 0.035956 -0.039211 33O 2dx2y2 -0.024402 -0.013951 33O 2dxy 0.006796 -0.014399 33O 1f0 -0.000439 0.002745 33O 1f+1 0.001934 0.001984 33O 1f-1 -0.006037 0.004041 33O 1f+2 -0.000610 -0.005889 33O 1f-2 0.002056 0.001016 33O 1f+3 -0.001718 -0.001809 33O 1f-3 -0.001449 0.000569 34O 1s 0.095438 -0.040563 34O 2s -0.122320 0.052835 34O 3s 0.182441 -0.081806 34O 4s -0.452784 0.097231 34O 5s 0.640972 0.577334 34O 1pz 0.001414 0.007284 34O 1px 0.007067 -0.010996 34O 1py -0.003664 -0.007240 34O 2pz 0.006497 -0.020031 34O 2px -0.069642 0.115841 34O 2py 0.009071 -0.005701 34O 3pz -0.178898 -0.162176 34O 3px -0.114915 0.083689 34O 3py 0.315429 0.216320 34O 1dz2 0.004044 0.003475 34O 1dxz -0.003486 0.000218 34O 1dyz 0.008379 0.011356 34O 1dx2y2 0.003100 0.003533 34O 1dxy 0.007594 0.002925 34O 2dz2 0.000570 -0.025582 34O 2dxz 0.016861 -0.001368 34O 2dyz -0.031522 -0.037744 34O 2dx2y2 -0.035340 0.009569 34O 2dxy -0.017558 -0.022533 34O 1f0 0.001019 0.002941 34O 1f+1 0.002858 -0.002837 34O 1f-1 -0.001421 0.000812 34O 1f+2 0.002216 0.001167 34O 1f-2 0.004836 0.002781 34O 1f+3 -0.001327 -0.006013 34O 1f-3 -0.002429 0.002550 35O 1s 0.102586 -0.032061 35O 2s -0.131449 0.041796 35O 3s 0.193162 -0.065290 35O 4s -0.467950 0.061900 35O 5s 0.704664 0.602357 35O 1pz 0.002486 0.008622 35O 1px 0.005114 -0.011724 35O 1py 0.003532 0.000897 35O 2pz 0.002022 -0.007256 35O 2px -0.055260 0.107147 35O 2py -0.019951 0.035151 35O 3pz -0.355819 -0.263968 35O 3px -0.081914 0.101668 35O 3py -0.239263 -0.116231 35O 1dz2 -0.004312 -0.006414 35O 1dxz -0.004692 0.001109 35O 1dyz -0.009969 -0.010913 35O 1dx2y2 0.001339 -0.000650 35O 1dxy -0.004744 -0.002366 35O 2dz2 0.029777 0.008697 35O 2dxz 0.013105 0.002476 35O 2dyz 0.035622 0.039945 35O 2dx2y2 -0.022313 0.016270 35O 2dxy 0.000033 0.025800 35O 1f0 0.001170 -0.000262 35O 1f+1 -0.001216 -0.004340 35O 1f-1 -0.001676 -0.004349 35O 1f+2 0.002220 0.001946 35O 1f-2 -0.004935 -0.001871 35O 1f+3 0.000609 -0.002473 35O 1f-3 0.003290 -0.003615 ******************************** * MULLIKEN POPULATION ANALYSIS * ******************************** -------------------------------------------- MULLIKEN ATOMIC CHARGES AND SPIN POPULATIONS -------------------------------------------- 0 Rh: 0.591677 0.005512 1 Rh: 0.591268 -0.005511 2 C : -0.346950 0.000003 3 C : -0.370375 -0.000002 4 C : 0.453715 -0.000006 5 C : 0.462858 0.000011 6 C : 0.462852 -0.000012 7 C : 0.453906 0.000005 8 C : -0.370286 0.000003 9 C : -0.347646 -0.000001 10 H : 0.144538 0.000002 11 H : 0.158054 -0.000001 12 H : 0.149640 -0.000002 13 H : 0.152851 0.000002 14 H : 0.153858 -0.000002 15 H : 0.158535 -0.000000 16 H : 0.387438 -0.000005 17 H : 0.388428 -0.000005 18 H : 0.388376 0.000005 19 H : 0.386932 0.000006 20 H : 0.158339 0.000000 21 H : 0.154123 0.000002 22 H : 0.152609 -0.000002 23 H : 0.149704 0.000001 24 H : 0.157723 0.000001 25 H : 0.144730 -0.000002 26 O : -0.457504 -0.000076 27 O : -0.452628 -0.000125 28 O : -0.455705 0.000112 29 O : -0.661325 0.000362 30 O : -0.457483 0.000068 31 O : -0.457616 -0.000068 32 O : -0.660431 -0.000363 33 O : -0.455100 -0.000113 34 O : -0.452336 0.000125 35 O : -0.456767 0.000077 Sum of atomic charges : -0.0000000 Sum of atomic spin populations: 0.0000000 ----------------------------------------------------- MULLIKEN REDUCED ORBITAL CHARGES AND SPIN POPULATIONS ----------------------------------------------------- CHARGE 0 Rhs : 8.445709 s : 8.445709 pz : 6.093351 p : 18.262653 px : 6.081908 py : 6.087394 dz2 : 3.691573 d : 17.692574 dxz : 3.763546 dyz : 3.001111 dx2y2 : 3.474087 dxy : 3.762257 f0 : 0.000917 f : 0.007387 f+1 : 0.000509 f-1 : 0.001734 f+2 : 0.001599 f-2 : 0.001024 f+3 : 0.000969 f-3 : 0.000634 1 Rhs : 8.445796 s : 8.445796 pz : 6.093094 p : 18.263054 px : 6.082445 py : 6.087515 dz2 : 3.691635 d : 17.692493 dxz : 3.763719 dyz : 3.000845 dx2y2 : 3.474059 dxy : 3.762234 f0 : 0.000917 f : 0.007389 f+1 : 0.000510 f-1 : 0.001735 f+2 : 0.001599 f-2 : 0.001025 f+3 : 0.000969 f-3 : 0.000634 2 C s : 3.227130 s : 3.227130 pz : 0.957586 p : 3.066477 px : 1.084500 py : 1.024391 dz2 : 0.008567 d : 0.048840 dxz : 0.013334 dyz : 0.010201 dx2y2 : 0.007631 dxy : 0.009108 f0 : 0.000725 f : 0.004503 f+1 : 0.000378 f-1 : 0.000676 f+2 : 0.000877 f-2 : 0.001064 f+3 : 0.000575 f-3 : 0.000209 3 C s : 3.235292 s : 3.235292 pz : 1.028626 p : 3.080157 px : 1.079146 py : 0.972386 dz2 : 0.005592 d : 0.050439 dxz : 0.012954 dyz : 0.013707 dx2y2 : 0.010764 dxy : 0.007422 f0 : 0.000320 f : 0.004486 f+1 : 0.000206 f-1 : 0.000646 f+2 : 0.001329 f-2 : 0.000849 f+3 : 0.000521 f-3 : 0.000614 4 C s : 3.085431 s : 3.085431 pz : 0.755939 p : 2.175626 px : 0.673712 py : 0.745976 dz2 : 0.052615 d : 0.260595 dxz : 0.063199 dyz : 0.034215 dx2y2 : 0.055455 dxy : 0.055111 f0 : 0.003521 f : 0.024633 f+1 : 0.004855 f-1 : 0.001265 f+2 : 0.003131 f-2 : 0.004516 f+3 : 0.004542 f-3 : 0.002802 5 C s : 3.086082 s : 3.086082 pz : 0.730783 p : 2.164966 px : 0.677128 py : 0.757055 dz2 : 0.032037 d : 0.261525 dxz : 0.067655 dyz : 0.024341 dx2y2 : 0.070689 dxy : 0.066803 f0 : 0.002069 f : 0.024569 f+1 : 0.002939 f-1 : 0.002092 f+2 : 0.004598 f-2 : 0.002478 f+3 : 0.005360 f-3 : 0.005033 6 C s : 3.086255 s : 3.086255 pz : 0.730884 p : 2.164784 px : 0.677000 py : 0.756900 dz2 : 0.032034 d : 0.261538 dxz : 0.067706 dyz : 0.024359 dx2y2 : 0.070653 dxy : 0.066786 f0 : 0.002067 f : 0.024571 f+1 : 0.002942 f-1 : 0.002091 f+2 : 0.004597 f-2 : 0.002480 f+3 : 0.005366 f-3 : 0.005028 7 C s : 3.085597 s : 3.085597 pz : 0.755660 p : 2.175176 px : 0.673473 py : 0.746043 dz2 : 0.052526 d : 0.260683 dxz : 0.063182 dyz : 0.034172 dx2y2 : 0.055660 dxy : 0.055143 f0 : 0.003510 f : 0.024638 f+1 : 0.004857 f-1 : 0.001265 f+2 : 0.003130 f-2 : 0.004515 f+3 : 0.004551 f-3 : 0.002810 8 C s : 3.235557 s : 3.235557 pz : 1.028765 p : 3.079819 px : 1.079104 py : 0.971950 dz2 : 0.005542 d : 0.050424 dxz : 0.012987 dyz : 0.013698 dx2y2 : 0.010678 dxy : 0.007520 f0 : 0.000323 f : 0.004486 f+1 : 0.000202 f-1 : 0.000644 f+2 : 0.001321 f-2 : 0.000864 f+3 : 0.000518 f-3 : 0.000614 9 C s : 3.227769 s : 3.227769 pz : 0.957517 p : 3.066524 px : 1.084742 py : 1.024264 dz2 : 0.008533 d : 0.048848 dxz : 0.013494 dyz : 0.010139 dx2y2 : 0.007855 dxy : 0.008825 f0 : 0.000723 f : 0.004505 f+1 : 0.000373 f-1 : 0.000670 f+2 : 0.000909 f-2 : 0.001048 f+3 : 0.000562 f-3 : 0.000220 10 H s : 0.835822 s : 0.835822 pz : 0.006253 p : 0.019640 px : 0.009048 py : 0.004339 11 H s : 0.822309 s : 0.822309 pz : 0.006927 p : 0.019637 px : 0.007250 py : 0.005460 12 H s : 0.830593 s : 0.830593 pz : 0.004456 p : 0.019767 px : 0.005583 py : 0.009727 13 H s : 0.827489 s : 0.827489 pz : 0.007202 p : 0.019660 px : 0.007440 py : 0.005018 14 H s : 0.826504 s : 0.826504 pz : 0.005925 p : 0.019638 px : 0.009443 py : 0.004269 15 H s : 0.821381 s : 0.821381 pz : 0.006932 p : 0.020084 px : 0.004741 py : 0.008411 16 H s : 0.570839 s : 0.570839 pz : 0.016793 p : 0.041722 px : 0.011771 py : 0.013159 17 H s : 0.569914 s : 0.569914 pz : 0.011929 p : 0.041658 px : 0.015347 py : 0.014381 18 H s : 0.569944 s : 0.569944 pz : 0.012116 p : 0.041680 px : 0.015347 py : 0.014218 19 H s : 0.571326 s : 0.571326 pz : 0.016654 p : 0.041742 px : 0.011765 py : 0.013323 20 H s : 0.821577 s : 0.821577 pz : 0.006940 p : 0.020084 px : 0.004761 py : 0.008383 21 H s : 0.826238 s : 0.826238 pz : 0.005962 p : 0.019639 px : 0.009402 py : 0.004274 22 H s : 0.827732 s : 0.827732 pz : 0.007163 p : 0.019659 px : 0.007462 py : 0.005034 23 H s : 0.830528 s : 0.830528 pz : 0.004468 p : 0.019768 px : 0.005498 py : 0.009802 24 H s : 0.822624 s : 0.822624 pz : 0.006896 p : 0.019654 px : 0.007337 py : 0.005420 25 H s : 0.835646 s : 0.835646 pz : 0.006277 p : 0.019624 px : 0.009030 py : 0.004318 26 O s : 3.846230 s : 3.846230 pz : 1.637394 p : 4.580432 px : 1.409981 py : 1.533056 dz2 : 0.004749 d : 0.029085 dxz : 0.006373 dyz : 0.002354 dx2y2 : 0.008027 dxy : 0.007583 f0 : 0.000187 f : 0.001757 f+1 : 0.000247 f-1 : 0.000119 f+2 : 0.000178 f-2 : 0.000202 f+3 : 0.000424 f-3 : 0.000400 27 O s : 3.857400 s : 3.857400 pz : 1.619957 p : 4.564536 px : 1.340587 py : 1.603992 dz2 : 0.003405 d : 0.028932 dxz : 0.007333 dyz : 0.002020 dx2y2 : 0.009142 dxy : 0.007032 f0 : 0.000205 f : 0.001761 f+1 : 0.000244 f-1 : 0.000083 f+2 : 0.000259 f-2 : 0.000116 f+3 : 0.000432 f-3 : 0.000420 28 O s : 3.854705 s : 3.854705 pz : 1.446645 p : 4.570404 px : 1.518594 py : 1.605165 dz2 : 0.005662 d : 0.028851 dxz : 0.008780 dyz : 0.003646 dx2y2 : 0.005343 dxy : 0.005419 f0 : 0.000227 f : 0.001745 f+1 : 0.000430 f-1 : 0.000105 f+2 : 0.000364 f-2 : 0.000306 f+3 : 0.000138 f-3 : 0.000175 29 O s : 3.801883 s : 3.801883 pz : 1.380715 p : 4.836065 px : 1.711887 py : 1.743463 dz2 : 0.003169 d : 0.022053 dxz : 0.002846 dyz : 0.008369 dx2y2 : 0.001873 dxy : 0.005796 f0 : 0.000231 f : 0.001324 f+1 : 0.000088 f-1 : 0.000374 f+2 : 0.000054 f-2 : 0.000347 f+3 : 0.000107 f-3 : 0.000123 30 O s : 3.847091 s : 3.847091 pz : 1.508591 p : 4.579966 px : 1.576539 py : 1.494837 dz2 : 0.005017 d : 0.028694 dxz : 0.006823 dyz : 0.003431 dx2y2 : 0.005874 dxy : 0.007548 f0 : 0.000144 f : 0.001732 f+1 : 0.000264 f-1 : 0.000228 f+2 : 0.000253 f-2 : 0.000338 f+3 : 0.000243 f-3 : 0.000263 31 O s : 3.847024 s : 3.847024 pz : 1.508692 p : 4.580169 px : 1.576436 py : 1.495041 dz2 : 0.005019 d : 0.028690 dxz : 0.006824 dyz : 0.003430 dx2y2 : 0.005873 dxy : 0.007543 f0 : 0.000144 f : 0.001732 f+1 : 0.000264 f-1 : 0.000228 f+2 : 0.000253 f-2 : 0.000338 f+3 : 0.000242 f-3 : 0.000263 32 O s : 3.801873 s : 3.801873 pz : 1.380272 p : 4.835199 px : 1.710535 py : 1.744393 dz2 : 0.002761 d : 0.022037 dxz : 0.003055 dyz : 0.008619 dx2y2 : 0.001933 dxy : 0.005670 f0 : 0.000201 f : 0.001322 f+1 : 0.000100 f-1 : 0.000394 f+2 : 0.000066 f-2 : 0.000344 f+3 : 0.000096 f-3 : 0.000122 33 O s : 3.854610 s : 3.854610 pz : 1.446646 p : 4.569894 px : 1.518058 py : 1.605190 dz2 : 0.005656 d : 0.028851 dxz : 0.008781 dyz : 0.003639 dx2y2 : 0.005352 dxy : 0.005423 f0 : 0.000227 f : 0.001745 f+1 : 0.000430 f-1 : 0.000105 f+2 : 0.000364 f-2 : 0.000305 f+3 : 0.000139 f-3 : 0.000176 34 O s : 3.857450 s : 3.857450 pz : 1.619816 p : 4.564188 px : 1.340427 py : 1.603946 dz2 : 0.003407 d : 0.028937 dxz : 0.007335 dyz : 0.002021 dx2y2 : 0.009142 dxy : 0.007033 f0 : 0.000205 f : 0.001761 f+1 : 0.000244 f-1 : 0.000083 f+2 : 0.000259 f-2 : 0.000117 f+3 : 0.000432 f-3 : 0.000420 35 O s : 3.846009 s : 3.846009 pz : 1.636778 p : 4.579909 px : 1.410095 py : 1.533036 dz2 : 0.004748 d : 0.029092 dxz : 0.006373 dyz : 0.002358 dx2y2 : 0.008028 dxy : 0.007585 f0 : 0.000187 f : 0.001757 f+1 : 0.000247 f-1 : 0.000120 f+2 : 0.000178 f-2 : 0.000202 f+3 : 0.000424 f-3 : 0.000400 SPIN 0 Rhs : 0.000243 s : 0.000243 pz : 0.000004 p : 0.000005 px : -0.000001 py : 0.000002 dz2 : 0.000667 d : 0.005265 dxz : 0.001158 dyz : 0.000398 dx2y2 : 0.002814 dxy : 0.000228 f0 : -0.000000 f : -0.000001 f+1 : -0.000000 f-1 : 0.000000 f+2 : -0.000000 f-2 : 0.000000 f+3 : -0.000001 f-3 : -0.000000 1 Rhs : -0.000243 s : -0.000243 pz : -0.000005 p : -0.000006 px : 0.000000 py : -0.000002 dz2 : -0.000667 d : -0.005264 dxz : -0.001156 dyz : -0.000400 dx2y2 : -0.002813 dxy : -0.000227 f0 : 0.000000 f : 0.000001 f+1 : 0.000000 f-1 : -0.000000 f+2 : 0.000000 f-2 : -0.000000 f+3 : 0.000001 f-3 : 0.000000 2 C s : 0.000002 s : 0.000002 pz : 0.000003 p : 0.000000 px : -0.000002 py : -0.000000 dz2 : -0.000000 d : -0.000000 dxz : 0.000000 dyz : -0.000000 dx2y2 : -0.000000 dxy : 0.000000 f0 : -0.000000 f : -0.000000 f+1 : 0.000000 f-1 : -0.000000 f+2 : -0.000000 f-2 : 0.000000 f+3 : -0.000000 f-3 : 0.000000 3 C s : -0.000000 s : -0.000000 pz : 0.000001 p : -0.000002 px : -0.000003 py : 0.000001 dz2 : 0.000000 d : 0.000000 dxz : 0.000000 dyz : -0.000000 dx2y2 : -0.000000 dxy : 0.000001 f0 : -0.000000 f : 0.000000 f+1 : 0.000000 f-1 : -0.000000 f+2 : -0.000000 f-2 : 0.000000 f+3 : 0.000000 f-3 : -0.000000 4 C s : -0.000006 s : -0.000006 pz : 0.000008 p : 0.000001 px : -0.000005 py : -0.000002 dz2 : -0.000002 d : -0.000001 dxz : 0.000000 dyz : -0.000001 dx2y2 : 0.000000 dxy : 0.000001 f0 : 0.000000 f : 0.000000 f+1 : 0.000000 f-1 : 0.000000 f+2 : 0.000000 f-2 : 0.000000 f+3 : 0.000000 f-3 : 0.000000 5 C s : 0.000004 s : 0.000004 pz : 0.000005 p : 0.000006 px : -0.000000 py : 0.000002 dz2 : 0.000000 d : 0.000000 dxz : 0.000001 dyz : -0.000002 dx2y2 : -0.000001 dxy : 0.000002 f0 : -0.000000 f : -0.000000 f+1 : 0.000000 f-1 : -0.000000 f+2 : -0.000000 f-2 : -0.000000 f+3 : -0.000000 f-3 : -0.000000 6 C s : -0.000004 s : -0.000004 pz : -0.000005 p : -0.000007 px : 0.000000 py : -0.000002 dz2 : -0.000000 d : -0.000000 dxz : -0.000001 dyz : 0.000002 dx2y2 : 0.000001 dxy : -0.000002 f0 : 0.000000 f : 0.000000 f+1 : -0.000000 f-1 : 0.000000 f+2 : 0.000000 f-2 : 0.000000 f+3 : 0.000000 f-3 : 0.000000 7 C s : 0.000006 s : 0.000006 pz : -0.000008 p : -0.000001 px : 0.000005 py : 0.000002 dz2 : 0.000002 d : 0.000001 dxz : -0.000000 dyz : 0.000001 dx2y2 : -0.000000 dxy : -0.000001 f0 : -0.000000 f : -0.000000 f+1 : -0.000000 f-1 : -0.000000 f+2 : -0.000000 f-2 : -0.000000 f+3 : -0.000000 f-3 : -0.000000 8 C s : 0.000001 s : 0.000001 pz : -0.000000 p : 0.000002 px : 0.000003 py : -0.000000 dz2 : -0.000000 d : -0.000000 dxz : -0.000000 dyz : 0.000000 dx2y2 : 0.000000 dxy : -0.000001 f0 : 0.000000 f : -0.000000 f+1 : -0.000000 f-1 : -0.000000 f+2 : 0.000000 f-2 : -0.000000 f+3 : -0.000000 f-3 : 0.000000 9 C s : -0.000001 s : -0.000001 pz : -0.000003 p : -0.000000 px : 0.000002 py : 0.000000 dz2 : 0.000000 d : 0.000000 dxz : -0.000000 dyz : 0.000000 dx2y2 : 0.000000 dxy : -0.000000 f0 : 0.000000 f : 0.000000 f+1 : -0.000000 f-1 : 0.000000 f+2 : 0.000000 f-2 : -0.000000 f+3 : 0.000000 f-3 : -0.000000 10 H s : 0.000002 s : 0.000002 pz : -0.000000 p : -0.000000 px : 0.000000 py : -0.000000 11 H s : -0.000001 s : -0.000001 pz : 0.000000 p : 0.000000 px : 0.000000 py : -0.000000 12 H s : -0.000002 s : -0.000002 pz : 0.000000 p : 0.000000 px : 0.000000 py : 0.000000 13 H s : 0.000002 s : 0.000002 pz : -0.000000 p : -0.000000 px : -0.000000 py : -0.000000 14 H s : -0.000002 s : -0.000002 pz : 0.000000 p : 0.000000 px : 0.000000 py : 0.000000 15 H s : -0.000000 s : -0.000000 pz : 0.000000 p : 0.000000 px : -0.000000 py : 0.000000 16 H s : -0.000007 s : -0.000007 pz : 0.000000 p : 0.000001 px : 0.000001 py : -0.000000 17 H s : -0.000006 s : -0.000006 pz : 0.000000 p : 0.000001 px : 0.000001 py : -0.000000 18 H s : 0.000007 s : 0.000007 pz : -0.000000 p : -0.000001 px : -0.000001 py : 0.000000 19 H s : 0.000007 s : 0.000007 pz : -0.000000 p : -0.000001 px : -0.000001 py : 0.000000 20 H s : 0.000000 s : 0.000000 pz : -0.000000 p : -0.000000 px : 0.000000 py : -0.000000 21 H s : 0.000002 s : 0.000002 pz : -0.000000 p : -0.000000 px : -0.000000 py : -0.000000 22 H s : -0.000002 s : -0.000002 pz : 0.000000 p : 0.000000 px : 0.000000 py : 0.000000 23 H s : 0.000001 s : 0.000001 pz : -0.000000 p : -0.000000 px : -0.000000 py : -0.000000 24 H s : 0.000001 s : 0.000001 pz : -0.000000 p : -0.000000 px : -0.000000 py : 0.000000 25 H s : -0.000002 s : -0.000002 pz : 0.000000 p : 0.000000 px : -0.000000 py : 0.000000 26 O s : 0.000003 s : 0.000003 pz : -0.000064 p : -0.000081 px : -0.000003 py : -0.000014 dz2 : -0.000000 d : 0.000001 dxz : 0.000000 dyz : 0.000001 dx2y2 : -0.000000 dxy : 0.000000 f0 : 0.000000 f : 0.000000 f+1 : 0.000000 f-1 : 0.000000 f+2 : 0.000000 f-2 : -0.000000 f+3 : 0.000000 f-3 : 0.000000 27 O s : 0.000000 s : 0.000000 pz : -0.000044 p : -0.000126 px : 0.000002 py : -0.000084 dz2 : 0.000000 d : 0.000001 dxz : 0.000000 dyz : 0.000000 dx2y2 : -0.000001 dxy : 0.000001 f0 : 0.000000 f : 0.000000 f+1 : 0.000000 f-1 : -0.000000 f+2 : 0.000000 f-2 : 0.000000 f+3 : 0.000000 f-3 : 0.000000 28 O s : -0.000001 s : -0.000001 pz : 0.000042 p : 0.000115 px : 0.000032 py : 0.000040 dz2 : -0.000001 d : -0.000001 dxz : 0.000000 dyz : -0.000001 dx2y2 : 0.000000 dxy : -0.000000 f0 : -0.000000 f : -0.000000 f+1 : -0.000000 f-1 : -0.000000 f+2 : -0.000000 f-2 : 0.000000 f+3 : -0.000000 f-3 : -0.000000 29 O s : 0.000021 s : 0.000021 pz : 0.000051 p : 0.000339 px : 0.000259 py : 0.000029 dz2 : -0.000000 d : 0.000002 dxz : 0.000001 dyz : 0.000000 dx2y2 : 0.000003 dxy : -0.000001 f0 : -0.000000 f : -0.000000 f+1 : -0.000000 f-1 : -0.000000 f+2 : -0.000000 f-2 : -0.000000 f+3 : -0.000000 f-3 : 0.000000 30 O s : -0.000004 s : -0.000004 pz : 0.000006 p : 0.000073 px : 0.000034 py : 0.000033 dz2 : 0.000000 d : -0.000001 dxz : 0.000000 dyz : -0.000001 dx2y2 : -0.000001 dxy : 0.000000 f0 : -0.000000 f : -0.000000 f+1 : -0.000000 f-1 : 0.000000 f+2 : -0.000000 f-2 : -0.000000 f+3 : -0.000000 f-3 : -0.000000 31 O s : 0.000003 s : 0.000003 pz : -0.000005 p : -0.000073 px : -0.000034 py : -0.000033 dz2 : -0.000000 d : 0.000001 dxz : -0.000000 dyz : 0.000001 dx2y2 : 0.000001 dxy : -0.000000 f0 : 0.000000 f : 0.000000 f+1 : 0.000000 f-1 : -0.000000 f+2 : 0.000000 f-2 : 0.000000 f+3 : 0.000000 f-3 : 0.000000 32 O s : -0.000021 s : -0.000021 pz : -0.000052 p : -0.000340 px : -0.000259 py : -0.000029 dz2 : 0.000000 d : -0.000002 dxz : -0.000000 dyz : -0.000000 dx2y2 : -0.000003 dxy : 0.000001 f0 : 0.000000 f : 0.000000 f+1 : 0.000000 f-1 : 0.000000 f+2 : 0.000000 f-2 : 0.000000 f+3 : 0.000000 f-3 : -0.000000 33 O s : 0.000001 s : 0.000001 pz : -0.000042 p : -0.000115 px : -0.000033 py : -0.000040 dz2 : 0.000001 d : 0.000001 dxz : -0.000000 dyz : 0.000001 dx2y2 : -0.000000 dxy : 0.000000 f0 : 0.000000 f : 0.000000 f+1 : 0.000000 f-1 : 0.000000 f+2 : 0.000000 f-2 : -0.000000 f+3 : 0.000000 f-3 : 0.000000 34 O s : -0.000000 s : -0.000000 pz : 0.000045 p : 0.000126 px : -0.000002 py : 0.000084 dz2 : -0.000000 d : -0.000001 dxz : -0.000000 dyz : -0.000000 dx2y2 : 0.000001 dxy : -0.000001 f0 : -0.000000 f : -0.000000 f+1 : -0.000000 f-1 : 0.000000 f+2 : -0.000000 f-2 : -0.000000 f+3 : -0.000000 f-3 : -0.000000 35 O s : -0.000004 s : -0.000004 pz : 0.000065 p : 0.000082 px : 0.000003 py : 0.000014 dz2 : 0.000000 d : -0.000001 dxz : -0.000000 dyz : -0.000001 dx2y2 : 0.000000 dxy : -0.000000 f0 : -0.000000 f : -0.000000 f+1 : -0.000000 f-1 : -0.000000 f+2 : -0.000000 f-2 : 0.000000 f+3 : -0.000000 f-3 : -0.000000 ******************************* * LOEWDIN POPULATION ANALYSIS * ******************************* ------------------------------------------- LOEWDIN ATOMIC CHARGES AND SPIN POPULATIONS ------------------------------------------- 0 Rh: 0.524784 0.005031 1 Rh: 0.524852 -0.005030 2 C : -0.254513 0.000000 3 C : -0.255994 -0.000001 4 C : -0.537575 -0.000003 5 C : -0.537586 0.000003 6 C : -0.537507 -0.000003 7 C : -0.537550 0.000003 8 C : -0.255964 0.000001 9 C : -0.254553 0.000000 10 H : 0.134376 0.000001 11 H : 0.145916 -0.000001 12 H : 0.141625 -0.000001 13 H : 0.135485 0.000001 14 H : 0.140437 -0.000001 15 H : 0.146699 -0.000000 16 H : 0.192932 0.000006 17 H : 0.193298 0.000006 18 H : 0.193307 -0.000006 19 H : 0.192845 -0.000006 20 H : 0.146627 0.000000 21 H : 0.140530 0.000001 22 H : 0.135427 -0.000001 23 H : 0.141809 0.000001 24 H : 0.145704 0.000001 25 H : 0.134312 -0.000001 26 O : 0.014688 -0.000074 27 O : 0.017251 -0.000111 28 O : 0.014734 0.000101 29 O : -0.229735 0.000384 30 O : 0.012818 0.000067 31 O : 0.012724 -0.000067 32 O : -0.229494 -0.000385 33 O : 0.014950 -0.000102 34 O : 0.017389 0.000111 35 O : 0.014951 0.000075 ---------------------------------------------------- LOEWDIN REDUCED ORBITAL CHARGES AND SPIN POPULATIONS ---------------------------------------------------- CHARGE 0 Rhs : 8.216081 s : 8.216081 pz : 6.158443 p : 18.467809 px : 6.148707 py : 6.160658 dz2 : 3.699396 d : 17.781802 dxz : 3.767524 dyz : 3.049820 dx2y2 : 3.498006 dxy : 3.767056 f0 : 0.001162 f : 0.009525 f+1 : 0.000640 f-1 : 0.002226 f+2 : 0.002095 f-2 : 0.001305 f+3 : 0.001301 f-3 : 0.000797 1 Rhs : 8.216068 s : 8.216068 pz : 6.158415 p : 18.467858 px : 6.148760 py : 6.160683 dz2 : 3.699459 d : 17.781694 dxz : 3.767646 dyz : 3.049599 dx2y2 : 3.497973 dxy : 3.767016 f0 : 0.001162 f : 0.009528 f+1 : 0.000640 f-1 : 0.002227 f+2 : 0.002095 f-2 : 0.001306 f+3 : 0.001302 f-3 : 0.000797 2 C s : 2.841213 s : 2.841213 pz : 1.035405 p : 3.164967 px : 1.073716 py : 1.055846 dz2 : 0.040673 d : 0.224230 dxz : 0.062531 dyz : 0.052469 dx2y2 : 0.032266 dxy : 0.036291 f0 : 0.005161 f : 0.024103 f+1 : 0.002186 f-1 : 0.004710 f+2 : 0.003465 f-2 : 0.004003 f+3 : 0.002728 f-3 : 0.001850 3 C s : 2.841223 s : 2.841223 pz : 1.058458 p : 3.165945 px : 1.070737 py : 1.036750 dz2 : 0.017688 d : 0.224717 dxz : 0.053825 dyz : 0.066004 dx2y2 : 0.050921 dxy : 0.036279 f0 : 0.003395 f : 0.024109 f+1 : 0.001583 f-1 : 0.004285 f+2 : 0.003743 f-2 : 0.002887 f+3 : 0.003909 f-3 : 0.004307 4 C s : 2.769576 s : 2.769576 pz : 0.930623 p : 2.660619 px : 0.915131 py : 0.814866 dz2 : 0.182091 d : 0.955551 dxz : 0.248926 dyz : 0.117510 dx2y2 : 0.209341 dxy : 0.197685 f0 : 0.022857 f : 0.151829 f+1 : 0.030425 f-1 : 0.008180 f+2 : 0.018732 f-2 : 0.027486 f+3 : 0.026646 f-3 : 0.017504 5 C s : 2.769464 s : 2.769464 pz : 0.809616 p : 2.660560 px : 0.934572 py : 0.916371 dz2 : 0.120964 d : 0.955759 dxz : 0.224750 dyz : 0.098693 dx2y2 : 0.262711 dxy : 0.248642 f0 : 0.013982 f : 0.151804 f+1 : 0.018246 f-1 : 0.010862 f+2 : 0.025276 f-2 : 0.017685 f+3 : 0.034114 f-3 : 0.031639 6 C s : 2.769463 s : 2.769463 pz : 0.809579 p : 2.660505 px : 0.934558 py : 0.916368 dz2 : 0.120997 d : 0.955740 dxz : 0.224769 dyz : 0.098683 dx2y2 : 0.262683 dxy : 0.248607 f0 : 0.013982 f : 0.151799 f+1 : 0.018250 f-1 : 0.010860 f+2 : 0.025277 f-2 : 0.017685 f+3 : 0.034127 f-3 : 0.031619 7 C s : 2.769557 s : 2.769557 pz : 0.930012 p : 2.660625 px : 0.915082 py : 0.815531 dz2 : 0.181810 d : 0.955548 dxz : 0.248630 dyz : 0.117420 dx2y2 : 0.209785 dxy : 0.197902 f0 : 0.022791 f : 0.151820 f+1 : 0.030401 f-1 : 0.008175 f+2 : 0.018704 f-2 : 0.027488 f+3 : 0.026715 f-3 : 0.017544 8 C s : 2.841235 s : 2.841235 pz : 1.058480 p : 3.165907 px : 1.070727 py : 1.036700 dz2 : 0.017503 d : 0.224713 dxz : 0.054045 dyz : 0.065997 dx2y2 : 0.050494 dxy : 0.036674 f0 : 0.003409 f : 0.024109 f+1 : 0.001565 f-1 : 0.004290 f+2 : 0.003726 f-2 : 0.002904 f+3 : 0.003895 f-3 : 0.004320 9 C s : 2.841197 s : 2.841197 pz : 1.035511 p : 3.165023 px : 1.073756 py : 1.055755 dz2 : 0.040381 d : 0.224227 dxz : 0.063119 dyz : 0.052234 dx2y2 : 0.033254 dxy : 0.035238 f0 : 0.005167 f : 0.024106 f+1 : 0.002139 f-1 : 0.004715 f+2 : 0.003479 f-2 : 0.003998 f+3 : 0.002710 f-3 : 0.001897 10 H s : 0.805217 s : 0.805217 pz : 0.017585 p : 0.060408 px : 0.030211 py : 0.012611 11 H s : 0.793452 s : 0.793452 pz : 0.019706 p : 0.060632 px : 0.022592 py : 0.018335 12 H s : 0.797650 s : 0.797650 pz : 0.013700 p : 0.060725 px : 0.016984 py : 0.030040 13 H s : 0.804105 s : 0.804105 pz : 0.022106 p : 0.060410 px : 0.024224 py : 0.014081 14 H s : 0.798977 s : 0.798977 pz : 0.017491 p : 0.060586 px : 0.030167 py : 0.012928 15 H s : 0.792554 s : 0.792554 pz : 0.023447 p : 0.060747 px : 0.013575 py : 0.023725 16 H s : 0.653109 s : 0.653109 pz : 0.071612 p : 0.153958 px : 0.035483 py : 0.046864 17 H s : 0.652707 s : 0.652707 pz : 0.042109 p : 0.153995 px : 0.057090 py : 0.054797 18 H s : 0.652671 s : 0.652671 pz : 0.043148 p : 0.154022 px : 0.057167 py : 0.053706 19 H s : 0.653222 s : 0.653222 pz : 0.070501 p : 0.153934 px : 0.035504 py : 0.047929 20 H s : 0.792623 s : 0.792623 pz : 0.023471 p : 0.060750 px : 0.013631 py : 0.023647 21 H s : 0.798884 s : 0.798884 pz : 0.017617 p : 0.060586 px : 0.030017 py : 0.012952 22 H s : 0.804172 s : 0.804172 pz : 0.021957 p : 0.060402 px : 0.024311 py : 0.014134 23 H s : 0.797472 s : 0.797472 pz : 0.013761 p : 0.060719 px : 0.016737 py : 0.030221 24 H s : 0.793656 s : 0.793656 pz : 0.019599 p : 0.060640 px : 0.022906 py : 0.018135 25 H s : 0.805262 s : 0.805262 pz : 0.017714 p : 0.060426 px : 0.030159 py : 0.012554 26 O s : 3.394789 s : 3.394789 pz : 1.539111 p : 4.509908 px : 1.496092 py : 1.474705 dz2 : 0.012916 d : 0.075330 dxz : 0.016764 dyz : 0.007286 dx2y2 : 0.019214 dxy : 0.019150 f0 : 0.000715 f : 0.005285 f+1 : 0.000799 f-1 : 0.000273 f+2 : 0.000510 f-2 : 0.000629 f+3 : 0.001054 f-3 : 0.001305 27 O s : 3.395198 s : 3.395198 pz : 1.521370 p : 4.507225 px : 1.469438 py : 1.516416 dz2 : 0.009952 d : 0.075037 dxz : 0.015170 dyz : 0.004750 dx2y2 : 0.025231 dxy : 0.019934 f0 : 0.000455 f : 0.005289 f+1 : 0.000822 f-1 : 0.000268 f+2 : 0.000775 f-2 : 0.000197 f+3 : 0.001309 f-3 : 0.001462 28 O s : 3.394262 s : 3.394262 pz : 1.450564 p : 4.510826 px : 1.548849 py : 1.511412 dz2 : 0.015993 d : 0.074901 dxz : 0.025296 dyz : 0.010212 dx2y2 : 0.013420 dxy : 0.009980 f0 : 0.000628 f : 0.005277 f+1 : 0.001393 f-1 : 0.000201 f+2 : 0.001209 f-2 : 0.000849 f+3 : 0.000546 f-3 : 0.000450 29 O s : 3.445611 s : 3.445611 pz : 1.367873 p : 4.748264 px : 1.656281 py : 1.724110 dz2 : 0.006461 d : 0.033536 dxz : 0.005864 dyz : 0.012089 dx2y2 : 0.002062 dxy : 0.007060 f0 : 0.000377 f : 0.002324 f+1 : 0.000097 f-1 : 0.000716 f+2 : 0.000124 f-2 : 0.000697 f+3 : 0.000121 f-3 : 0.000192 30 O s : 3.394374 s : 3.394374 pz : 1.471506 p : 4.512471 px : 1.573707 py : 1.467259 dz2 : 0.010533 d : 0.075066 dxz : 0.015709 dyz : 0.013196 dx2y2 : 0.016815 dxy : 0.018812 f0 : 0.000472 f : 0.005271 f+1 : 0.000631 f-1 : 0.000423 f+2 : 0.000761 f-2 : 0.001182 f+3 : 0.000904 f-3 : 0.000898 31 O s : 3.394374 s : 3.394374 pz : 1.471599 p : 4.512571 px : 1.573655 py : 1.467317 dz2 : 0.010531 d : 0.075060 dxz : 0.015711 dyz : 0.013198 dx2y2 : 0.016815 dxy : 0.018805 f0 : 0.000472 f : 0.005271 f+1 : 0.000631 f-1 : 0.000423 f+2 : 0.000761 f-2 : 0.001182 f+3 : 0.000904 f-3 : 0.000898 32 O s : 3.445619 s : 3.445619 pz : 1.367436 p : 4.748003 px : 1.655295 py : 1.725272 dz2 : 0.005845 d : 0.033548 dxz : 0.006208 dyz : 0.012512 dx2y2 : 0.002159 dxy : 0.006824 f0 : 0.000324 f : 0.002324 f+1 : 0.000116 f-1 : 0.000744 f+2 : 0.000141 f-2 : 0.000700 f+3 : 0.000104 f-3 : 0.000194 33 O s : 3.394264 s : 3.394264 pz : 1.450472 p : 4.510614 px : 1.548685 py : 1.511456 dz2 : 0.015964 d : 0.074896 dxz : 0.025284 dyz : 0.010206 dx2y2 : 0.013442 dxy : 0.010000 f0 : 0.000627 f : 0.005277 f+1 : 0.001390 f-1 : 0.000200 f+2 : 0.001209 f-2 : 0.000850 f+3 : 0.000548 f-3 : 0.000452 34 O s : 3.395203 s : 3.395203 pz : 1.521285 p : 4.507079 px : 1.469415 py : 1.516378 dz2 : 0.009952 d : 0.075040 dxz : 0.015171 dyz : 0.004752 dx2y2 : 0.025231 dxy : 0.019934 f0 : 0.000455 f : 0.005289 f+1 : 0.000822 f-1 : 0.000268 f+2 : 0.000775 f-2 : 0.000197 f+3 : 0.001309 f-3 : 0.001463 35 O s : 3.394774 s : 3.394774 pz : 1.538816 p : 4.509646 px : 1.496159 py : 1.474671 dz2 : 0.012917 d : 0.075344 dxz : 0.016747 dyz : 0.007297 dx2y2 : 0.019212 dxy : 0.019170 f0 : 0.000714 f : 0.005285 f+1 : 0.000799 f-1 : 0.000273 f+2 : 0.000509 f-2 : 0.000630 f+3 : 0.001055 f-3 : 0.001305 SPIN 0 Rhs : 0.000084 s : 0.000084 pz : 0.000001 p : -0.000048 px : -0.000053 py : 0.000004 dz2 : 0.000636 d : 0.004996 dxz : 0.001099 dyz : 0.000374 dx2y2 : 0.002675 dxy : 0.000212 f0 : -0.000000 f : -0.000002 f+1 : -0.000000 f-1 : 0.000000 f+2 : -0.000001 f-2 : -0.000000 f+3 : -0.000001 f-3 : -0.000000 1 Rhs : -0.000084 s : -0.000084 pz : -0.000001 p : 0.000047 px : 0.000053 py : -0.000004 dz2 : -0.000636 d : -0.004995 dxz : -0.001098 dyz : -0.000375 dx2y2 : -0.002674 dxy : -0.000212 f0 : 0.000000 f : 0.000002 f+1 : 0.000000 f-1 : -0.000000 f+2 : 0.000001 f-2 : 0.000000 f+3 : 0.000001 f-3 : 0.000000 2 C s : 0.000000 s : 0.000000 pz : 0.000002 p : 0.000000 px : -0.000001 py : -0.000000 dz2 : -0.000000 d : -0.000000 dxz : 0.000001 dyz : -0.000000 dx2y2 : -0.000000 dxy : 0.000000 f0 : -0.000000 f : -0.000000 f+1 : 0.000000 f-1 : -0.000000 f+2 : -0.000000 f-2 : 0.000000 f+3 : 0.000000 f-3 : -0.000000 3 C s : -0.000000 s : -0.000000 pz : 0.000001 p : -0.000001 px : -0.000002 py : 0.000001 dz2 : 0.000000 d : 0.000000 dxz : 0.000000 dyz : -0.000000 dx2y2 : -0.000001 dxy : 0.000001 f0 : 0.000000 f : 0.000000 f+1 : -0.000000 f-1 : 0.000000 f+2 : -0.000000 f-2 : 0.000000 f+3 : 0.000000 f-3 : -0.000000 4 C s : -0.000000 s : -0.000000 pz : 0.000000 p : -0.000004 px : -0.000002 py : -0.000002 dz2 : -0.000001 d : 0.000001 dxz : -0.000000 dyz : -0.000000 dx2y2 : 0.000000 dxy : 0.000002 f0 : -0.000000 f : 0.000001 f+1 : 0.000001 f-1 : -0.000000 f+2 : -0.000000 f-2 : 0.000000 f+3 : 0.000000 f-3 : 0.000000 5 C s : 0.000001 s : 0.000001 pz : 0.000003 p : 0.000006 px : 0.000001 py : 0.000002 dz2 : 0.000000 d : -0.000001 dxz : -0.000000 dyz : -0.000002 dx2y2 : 0.000000 dxy : 0.000000 f0 : -0.000000 f : -0.000002 f+1 : -0.000000 f-1 : -0.000000 f+2 : -0.000001 f-2 : 0.000001 f+3 : 0.000001 f-3 : -0.000002 6 C s : -0.000001 s : -0.000001 pz : -0.000003 p : -0.000006 px : -0.000001 py : -0.000002 dz2 : -0.000000 d : 0.000001 dxz : 0.000000 dyz : 0.000002 dx2y2 : -0.000000 dxy : -0.000000 f0 : 0.000000 f : 0.000002 f+1 : 0.000000 f-1 : 0.000000 f+2 : 0.000001 f-2 : -0.000001 f+3 : -0.000001 f-3 : 0.000002 7 C s : 0.000000 s : 0.000000 pz : -0.000000 p : 0.000004 px : 0.000002 py : 0.000002 dz2 : 0.000001 d : -0.000001 dxz : 0.000000 dyz : 0.000000 dx2y2 : -0.000000 dxy : -0.000002 f0 : 0.000000 f : -0.000001 f+1 : -0.000001 f-1 : 0.000000 f+2 : 0.000000 f-2 : -0.000000 f+3 : -0.000000 f-3 : -0.000000 8 C s : 0.000000 s : 0.000000 pz : -0.000001 p : 0.000001 px : 0.000002 py : -0.000001 dz2 : -0.000000 d : -0.000000 dxz : -0.000000 dyz : 0.000000 dx2y2 : 0.000001 dxy : -0.000001 f0 : -0.000000 f : -0.000000 f+1 : 0.000000 f-1 : -0.000000 f+2 : 0.000000 f-2 : -0.000000 f+3 : -0.000000 f-3 : 0.000000 9 C s : -0.000000 s : -0.000000 pz : -0.000002 p : -0.000000 px : 0.000001 py : 0.000000 dz2 : 0.000000 d : 0.000000 dxz : -0.000001 dyz : 0.000000 dx2y2 : 0.000000 dxy : -0.000000 f0 : 0.000000 f : 0.000000 f+1 : -0.000000 f-1 : 0.000000 f+2 : 0.000000 f-2 : -0.000000 f+3 : -0.000000 f-3 : 0.000000 10 H s : 0.000001 s : 0.000001 pz : -0.000000 p : -0.000000 px : -0.000000 py : -0.000000 11 H s : -0.000001 s : -0.000001 pz : 0.000000 p : 0.000000 px : 0.000000 py : -0.000000 12 H s : -0.000001 s : -0.000001 pz : 0.000000 p : 0.000000 px : -0.000000 py : 0.000000 13 H s : 0.000001 s : 0.000001 pz : -0.000000 p : -0.000000 px : -0.000000 py : -0.000000 14 H s : -0.000001 s : -0.000001 pz : 0.000000 p : 0.000000 px : 0.000000 py : 0.000000 15 H s : -0.000000 s : -0.000000 pz : -0.000000 p : 0.000000 px : -0.000000 py : 0.000000 16 H s : -0.000006 s : -0.000006 pz : 0.000004 p : 0.000012 px : 0.000008 py : 0.000000 17 H s : -0.000006 s : -0.000006 pz : 0.000001 p : 0.000012 px : 0.000010 py : 0.000000 18 H s : 0.000006 s : 0.000006 pz : -0.000001 p : -0.000012 px : -0.000010 py : -0.000000 19 H s : 0.000006 s : 0.000006 pz : -0.000004 p : -0.000012 px : -0.000008 py : -0.000000 20 H s : 0.000000 s : 0.000000 pz : 0.000000 p : -0.000000 px : 0.000000 py : -0.000000 21 H s : 0.000001 s : 0.000001 pz : -0.000000 p : -0.000000 px : -0.000000 py : -0.000000 22 H s : -0.000001 s : -0.000001 pz : 0.000000 p : 0.000000 px : 0.000000 py : 0.000000 23 H s : 0.000001 s : 0.000001 pz : -0.000000 p : -0.000000 px : 0.000000 py : -0.000000 24 H s : 0.000001 s : 0.000001 pz : -0.000000 p : -0.000000 px : -0.000000 py : 0.000000 25 H s : -0.000001 s : -0.000001 pz : 0.000000 p : 0.000000 px : 0.000000 py : 0.000000 26 O s : 0.000001 s : 0.000001 pz : -0.000059 p : -0.000076 px : -0.000004 py : -0.000013 dz2 : -0.000001 d : 0.000001 dxz : 0.000000 dyz : 0.000002 dx2y2 : -0.000001 dxy : -0.000000 f0 : -0.000000 f : 0.000000 f+1 : 0.000000 f-1 : 0.000000 f+2 : 0.000000 f-2 : 0.000000 f+3 : 0.000000 f-3 : 0.000000 27 O s : 0.000001 s : 0.000001 pz : -0.000040 p : -0.000115 px : 0.000001 py : -0.000075 dz2 : -0.000000 d : 0.000002 dxz : 0.000000 dyz : 0.000000 dx2y2 : -0.000001 dxy : 0.000002 f0 : 0.000000 f : 0.000000 f+1 : 0.000000 f-1 : -0.000000 f+2 : 0.000000 f-2 : 0.000000 f+3 : 0.000000 f-3 : 0.000000 28 O s : -0.000001 s : -0.000001 pz : 0.000038 p : 0.000104 px : 0.000030 py : 0.000036 dz2 : -0.000001 d : -0.000001 dxz : 0.000001 dyz : -0.000002 dx2y2 : 0.000000 dxy : 0.000000 f0 : -0.000000 f : -0.000000 f+1 : -0.000000 f-1 : -0.000000 f+2 : -0.000000 f-2 : -0.000000 f+3 : -0.000000 f-3 : -0.000000 29 O s : 0.000051 s : 0.000051 pz : 0.000043 p : 0.000326 px : 0.000258 py : 0.000024 dz2 : -0.000000 d : 0.000007 dxz : 0.000002 dyz : -0.000000 dx2y2 : 0.000007 dxy : -0.000001 f0 : 0.000000 f : 0.000000 f+1 : 0.000000 f-1 : -0.000000 f+2 : 0.000000 f-2 : -0.000000 f+3 : 0.000000 f-3 : 0.000000 30 O s : -0.000000 s : -0.000000 pz : 0.000006 p : 0.000068 px : 0.000031 py : 0.000031 dz2 : 0.000001 d : -0.000001 dxz : 0.000000 dyz : -0.000002 dx2y2 : -0.000001 dxy : 0.000000 f0 : -0.000000 f : -0.000000 f+1 : 0.000000 f-1 : -0.000000 f+2 : -0.000000 f-2 : -0.000000 f+3 : -0.000000 f-3 : -0.000000 31 O s : 0.000000 s : 0.000000 pz : -0.000006 p : -0.000068 px : -0.000031 py : -0.000031 dz2 : -0.000001 d : 0.000001 dxz : -0.000000 dyz : 0.000002 dx2y2 : 0.000001 dxy : -0.000000 f0 : 0.000000 f : 0.000000 f+1 : -0.000000 f-1 : 0.000000 f+2 : 0.000000 f-2 : 0.000000 f+3 : 0.000000 f-3 : 0.000000 32 O s : -0.000051 s : -0.000051 pz : -0.000043 p : -0.000326 px : -0.000258 py : -0.000025 dz2 : 0.000000 d : -0.000007 dxz : -0.000002 dyz : 0.000000 dx2y2 : -0.000007 dxy : 0.000001 f0 : -0.000000 f : -0.000000 f+1 : -0.000000 f-1 : 0.000000 f+2 : -0.000000 f-2 : 0.000000 f+3 : -0.000000 f-3 : -0.000000 33 O s : 0.000001 s : 0.000001 pz : -0.000038 p : -0.000104 px : -0.000030 py : -0.000036 dz2 : 0.000001 d : 0.000001 dxz : -0.000001 dyz : 0.000002 dx2y2 : -0.000000 dxy : -0.000000 f0 : 0.000000 f : 0.000000 f+1 : 0.000000 f-1 : 0.000000 f+2 : 0.000000 f-2 : 0.000000 f+3 : 0.000000 f-3 : 0.000000 34 O s : -0.000001 s : -0.000001 pz : 0.000040 p : 0.000115 px : -0.000001 py : 0.000075 dz2 : 0.000000 d : -0.000002 dxz : -0.000000 dyz : -0.000000 dx2y2 : 0.000001 dxy : -0.000002 f0 : -0.000000 f : -0.000000 f+1 : -0.000000 f-1 : 0.000000 f+2 : -0.000000 f-2 : -0.000000 f+3 : -0.000000 f-3 : -0.000000 35 O s : -0.000001 s : -0.000001 pz : 0.000060 p : 0.000077 px : 0.000004 py : 0.000013 dz2 : 0.000001 d : -0.000001 dxz : -0.000000 dyz : -0.000002 dx2y2 : 0.000001 dxy : 0.000000 f0 : 0.000000 f : -0.000000 f+1 : -0.000000 f-1 : -0.000000 f+2 : -0.000000 f-2 : -0.000000 f+3 : -0.000000 f-3 : -0.000000 ***************************** * MAYER POPULATION ANALYSIS * ***************************** NA - Mulliken gross atomic population ZA - Total nuclear charge QA - Mulliken gross atomic charge VA - Mayer's total valence BVA - Mayer's bonded valence FA - Mayer's free valence ATOM NA ZA QA VA BVA FA 0 Rh 44.4083 45.0000 0.5917 3.2238 3.2238 0.0000 1 Rh 44.4087 45.0000 0.5913 3.2249 3.2249 0.0000 2 C 6.3470 6.0000 -0.3470 3.8862 3.8862 0.0000 3 C 6.3704 6.0000 -0.3704 3.8809 3.8809 0.0000 4 C 5.5463 6.0000 0.4537 4.0126 4.0126 -0.0000 5 C 5.5371 6.0000 0.4629 4.0002 4.0002 -0.0000 6 C 5.5371 6.0000 0.4629 3.9999 3.9999 -0.0000 7 C 5.5461 6.0000 0.4539 4.0118 4.0118 -0.0000 8 C 6.3703 6.0000 -0.3703 3.8810 3.8810 0.0000 9 C 6.3476 6.0000 -0.3476 3.8863 3.8863 0.0000 10 H 0.8555 1.0000 0.1445 0.9817 0.9817 0.0000 11 H 0.8419 1.0000 0.1581 0.9692 0.9692 0.0000 12 H 0.8504 1.0000 0.1496 0.9748 0.9748 0.0000 13 H 0.8471 1.0000 0.1529 0.9774 0.9774 0.0000 14 H 0.8461 1.0000 0.1539 0.9744 0.9744 0.0000 15 H 0.8415 1.0000 0.1585 0.9673 0.9673 0.0000 16 H 0.6126 1.0000 0.3874 0.8638 0.8638 0.0000 17 H 0.6116 1.0000 0.3884 0.8631 0.8631 0.0000 18 H 0.6116 1.0000 0.3884 0.8630 0.8630 0.0000 19 H 0.6131 1.0000 0.3869 0.8642 0.8642 0.0000 20 H 0.8417 1.0000 0.1583 0.9674 0.9674 0.0000 21 H 0.8459 1.0000 0.1541 0.9742 0.9742 0.0000 22 H 0.8474 1.0000 0.1526 0.9776 0.9776 0.0000 23 H 0.8503 1.0000 0.1497 0.9747 0.9747 0.0000 24 H 0.8423 1.0000 0.1577 0.9693 0.9693 0.0000 25 H 0.8553 1.0000 0.1447 0.9818 0.9818 0.0000 26 O 8.4575 8.0000 -0.4575 2.0704 2.0704 0.0000 27 O 8.4526 8.0000 -0.4526 2.0620 2.0620 0.0000 28 O 8.4557 8.0000 -0.4557 2.0468 2.0468 0.0000 29 O 8.6613 8.0000 -0.6613 1.9094 1.9094 0.0000 30 O 8.4575 8.0000 -0.4575 2.0489 2.0489 0.0000 31 O 8.4576 8.0000 -0.4576 2.0488 2.0488 0.0000 32 O 8.6604 8.0000 -0.6604 1.9103 1.9103 0.0000 33 O 8.4551 8.0000 -0.4551 2.0470 2.0470 0.0000 34 O 8.4523 8.0000 -0.4523 2.0624 2.0624 0.0000 35 O 8.4568 8.0000 -0.4568 2.0714 2.0714 0.0000 Mayer bond orders larger than 0.1 B( 0-Rh, 1-Rh) : 0.9423 B( 0-Rh, 26-O ) : 0.4581 B( 0-Rh, 27-O ) : 0.4573 B( 0-Rh, 29-O ) : 0.1720 B( 0-Rh, 31-O ) : 0.4580 B( 0-Rh, 33-O ) : 0.4573 B( 1-Rh, 28-O ) : 0.4569 B( 1-Rh, 30-O ) : 0.4579 B( 1-Rh, 32-O ) : 0.1726 B( 1-Rh, 34-O ) : 0.4576 B( 1-Rh, 35-O ) : 0.4587 B( 2-C , 4-C ) : 1.0120 B( 2-C , 10-H ) : 0.9670 B( 2-C , 11-H ) : 0.9362 B( 2-C , 12-H ) : 0.9477 B( 3-C , 5-C ) : 1.0073 B( 3-C , 13-H ) : 0.9648 B( 3-C , 14-H ) : 0.9535 B( 3-C , 15-H ) : 0.9334 B( 4-C , 26-O ) : 1.4749 B( 4-C , 28-O ) : 1.4650 B( 5-C , 27-O ) : 1.4718 B( 5-C , 30-O ) : 1.4618 B( 6-C , 8-C ) : 1.0071 B( 6-C , 31-O ) : 1.4614 B( 6-C , 34-O ) : 1.4721 B( 7-C , 9-C ) : 1.0116 B( 7-C , 33-O ) : 1.4647 B( 7-C , 35-O ) : 1.4752 B( 8-C , 20-H ) : 0.9336 B( 8-C , 21-H ) : 0.9533 B( 8-C , 22-H ) : 0.9650 B( 9-C , 23-H ) : 0.9472 B( 9-C , 24-H ) : 0.9369 B( 9-C , 25-H ) : 0.9670 B( 16-H , 29-O ) : 0.8497 B( 17-H , 29-O ) : 0.8494 B( 18-H , 32-O ) : 0.8494 B( 19-H , 32-O ) : 0.8501 ------- TIMINGS ------- Total SCF time: 10 hours 5 min 14 sec Total time .... 36314.293 sec Sum of individual times .... 35378.791 sec ( 97.4%) Fock matrix formation .... 33358.548 sec ( 91.9%) Coulomb formation .... 30829.630 sec ( 92.4% of F) Split-RI-J .... 1442.174 sec ( 4.3% of F) Chain of spheres X .... 30130.391 sec ( 90.3% of F) COS-X 1 center corr. .... 12.090 sec ( 0.0% of F) XC integration .... 2514.281 sec ( 7.5% of F) Basis function eval. .... 97.947 sec ( 3.9% of XC) Density eval. .... 1132.356 sec ( 45.0% of XC) XC-Functional eval. .... 27.702 sec ( 1.1% of XC) XC-Potential eval. .... 1201.065 sec ( 47.8% of XC) Diagonalization .... 393.405 sec ( 1.1%) Density matrix formation .... 13.565 sec ( 0.0%) Population analysis .... 6.817 sec ( 0.0%) Initial guess .... 15.100 sec ( 0.0%) Orbital Transformation .... 0.000 sec ( 0.0%) Orbital Orthonormalization .... 0.000 sec ( 0.0%) DIIS solution .... 78.691 sec ( 0.2%) Grid generation .... 46.784 sec ( 0.1%) COSMO(total) .... 1465.881 sec ( 4.0%) Initialization .... 12.573 sec ( 0.9% of COSMO) Potential evaluation .... 857.684 sec ( 58.5% of COSMO) Charge calculation .... 16.136 sec ( 1.1% of COSMO) Fock-Matrix contrib. .... 581.760 sec ( 39.7% of COSMO) Outer-lying charge .... 10.390 sec ( 0.7% of COSMO) -------------------------- UHF CORRESPONDING ORBITALS -------------------------- Transforming orbitals ... done Choosing virtual orbitals in the orth. comp. ... done ***UHF Corresponding Orbitals were saved in 2rh2acetate2aq_bs.uco*** Now the overlap between the corresponding orbitals will be plotted Since there are an equal number of alpha and beta orbitals each orbital in the alpha set is matched by an orbital in the beta set. If all overlaps are close to one you have a normal UHF solution with some spin polarization If you have a broken symmetry solution there will be overlaps that are significantly smaller than one. These orbitals are the non-orthogonal magnetic orbitals of the broken symmetry UHF solution. ---------------------- Orbital Overlap(*) ---------------------- 0: 1.00000 1: 1.00000 2: 1.00000 3: 1.00000 4: 1.00000 5: 1.00000 6: 1.00000 7: 1.00000 8: 1.00000 9: 1.00000 10: 1.00000 11: 1.00000 12: 1.00000 13: 1.00000 14: 1.00000 15: 1.00000 16: 1.00000 17: 1.00000 18: 1.00000 19: 1.00000 20: 1.00000 21: 1.00000 22: 1.00000 23: 1.00000 24: 1.00000 25: 1.00000 26: 1.00000 27: 1.00000 28: 1.00000 29: 1.00000 30: 1.00000 31: 1.00000 32: 1.00000 33: 1.00000 34: 1.00000 35: 1.00000 36: 1.00000 37: 1.00000 38: 1.00000 39: 1.00000 40: 1.00000 41: 1.00000 42: 1.00000 43: 1.00000 44: 1.00000 45: 1.00000 46: 1.00000 47: 1.00000 48: 1.00000 49: 1.00000 50: 1.00000 51: 1.00000 52: 1.00000 53: 1.00000 54: 1.00000 55: 1.00000 56: 1.00000 57: 1.00000 58: 1.00000 59: 1.00000 60: 1.00000 61: 1.00000 62: 1.00000 63: 1.00000 64: 1.00000 65: 1.00000 66: 1.00000 67: 1.00000 68: 1.00000 69: 1.00000 70: 1.00000 71: 1.00000 72: 1.00000 73: 1.00000 74: 1.00000 75: 1.00000 76: 1.00000 77: 1.00000 78: 1.00000 79: 1.00000 80: 1.00000 81: 1.00000 82: 1.00000 83: 1.00000 84: 1.00000 85: 1.00000 86: 1.00000 87: 1.00000 88: 1.00000 89: 1.00000 90: 1.00000 91: 1.00000 92: 1.00000 93: 1.00000 94: 1.00000 95: 1.00000 96: 1.00000 97: 1.00000 98: 1.00000 99: 1.00000 100: 1.00000 101: 1.00000 102: 1.00000 103: 1.00000 104: 1.00000 105: 1.00000 106: 1.00000 107: 1.00000 108: 1.00000 109: 1.00000 110: 1.00000 111: 1.00000 112: 1.00000 113: 1.00000 114: 1.00000 115: 1.00000 116: 0.99998 (*) the overlap is weighted by the product of occupation numbers NOTE: the whole analysis is not valid for fractional occupations ------------------------------------------ BROKEN SYMMETRY MAGNETIC COUPLING ANALYSIS ------------------------------------------ S(High-Spin) = 1.0 (High-Spin) = 2.0099 (BrokenSym) = 0.0000 E(High-Spin) = -10443.353562 Eh E(BrokenSym) = -10443.411995 Eh E(High-Spin)-E(BrokenSym)= 1.5900 eV 12823.349 cm**-1 (ANTIFERROMAGNETIC coupling) --------------------------------------------------------- | Spin-Hamiltonian Analysis based on H(HDvV)= -2J*SA*SB | ------- ----------- | J(1) = -12823.35 cm**-1 (from -(E[HS]-E[BS])/Smax**2) | | J(2) = -6411.67 cm**-1 (from -(E[HS]-E[BS])/(Smax*(Smax+1)) | | J(3) = -6380.10 cm**-1 (from -(E[HS]-E[BS])/(HS-BS)) | ------------------------------------------------------------------------- J(1): (a) A.P. Ginsberg J. Am. Chem. Soc. 102 (1980), 111 (b) L. Noodleman J. Chem. Phys. 74 (1981), 5737 (c) L. Noodleman E.R. Davidson Chem. Phys. 109 (1985), 131 J(2) (d) A. Bencini D. Gatteschi J. Am. Chem. Soc. 108 (1980), 5763 J(3) (e) K. Yamaguchi Y. Takahara T. Fueno in: V.H. Smith (Ed.) Applied Quantum Chemistry. Reidel, Dordrecht (1986), pp 155 (f) T.Soda et al. Chem. Phys. Lett., 319, (2000), 223 ------- TIMINGS ------- Total SCF time: 10 hours 5 min 58 sec Total time .... 36358.752 sec Sum of individual times .... 44388.479 sec (122.1%) Fock matrix formation .... 33358.548 sec ( 91.7%) Coulomb formation .... 30829.630 sec ( 92.4% of F) Split-RI-J .... 1442.174 sec ( 4.3% of F) Chain of spheres X .... 30130.391 sec ( 90.3% of F) COS-X 1 center corr. .... 12.090 sec ( 0.0% of F) XC integration .... 2514.281 sec ( 7.5% of F) Basis function eval. .... 97.947 sec ( 3.9% of XC) Density eval. .... 1132.356 sec ( 45.0% of XC) XC-Functional eval. .... 27.702 sec ( 1.1% of XC) XC-Potential eval. .... 1201.065 sec ( 47.8% of XC) Diagonalization .... 393.405 sec ( 1.1%) Density matrix formation .... 13.565 sec ( 0.0%) Population analysis .... 9016.505 sec ( 24.8%) Initial guess .... 15.100 sec ( 0.0%) Orbital Transformation .... 0.000 sec ( 0.0%) Orbital Orthonormalization .... 0.000 sec ( 0.0%) DIIS solution .... 78.691 sec ( 0.2%) Grid generation .... 46.784 sec ( 0.1%) COSMO(total) .... 1465.881 sec ( 4.0%) Initialization .... 12.573 sec ( 0.9% of COSMO) Potential evaluation .... 857.684 sec ( 58.5% of COSMO) Charge calculation .... 16.136 sec ( 1.1% of COSMO) Fock-Matrix contrib. .... 581.760 sec ( 39.7% of COSMO) Outer-lying charge .... 10.390 sec ( 0.7% of COSMO) ------------------------------------------------------------------------------- DFT DISPERSION CORRECTION ------------------------------------------------------------------------------- Warning: non-parameterized functional used for VDW correction Active option ivdw ... 2 Final C6-coefficient scaling factor ... 1.200 Final VDW-radii scaling factor ... 1.100 Damping factor alpha ... 20.000 ------------------------- ---------------- Van der Waals correction -0.064471107 ------------------------- ---------------- ------------------------- ---------------- FINAL SINGLE POINT ENERGY -10443.476465982 ------------------------- ---------------- *************************************** * ORCA property calculations * *************************************** --------------------- Active property flags --------------------- (+) Dipole Moment ------------------------------------------------------------------------------ ORCA ELECTRIC PROPERTIES CALCULATION ------------------------------------------------------------------------------ Dipole Moment Calculation ... on Quadrupole Moment Calculation ... off Polarizability Calculation ... off GBWName ... 2rh2acetate2aq_bs.gbw Electron density file ... 2rh2acetate2aq_bs.scfp.tmp ------------- DIPOLE MOMENT ------------- X Y Z Electronic contribution: 0.00685 -0.01799 0.02102 Nuclear contribution : -0.01608 0.02157 -0.04162 ----------------------------------------- Total Dipole Moment : -0.00923 0.00358 -0.02059 ----------------------------------------- Magnitude (a.u.) : 0.02285 Magnitude (Debye) : 0.05807 Timings for individual modules: Sum of individual times ... 36370.546 sec (= 606.176 min) GTO integral calculation ... 5.663 sec (= 0.094 min) 0.0 % SCF iterations ... 36364.883 sec (= 606.081 min) 100.0 % ****ORCA TERMINATED NORMALLY**** TOTAL RUN TIME: 0 days 10 hours 6 minutes 11 seconds 404 msec